smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)c1cc(S(=O)(=O)N[C@H](C)CCC(=O)[O-])cn1C ZINC000070311734 290623989 /nfs/dbraw/zinc/62/39/89/290623989.db2.gz UROWEHREKKSZHO-MRVPVSSYSA-N -1 0 317.367 -0.084 20 0 DBADRM CC(C)Oc1ccc(=NC(=O)NCCc2nc(N)no2)[n-]n1 ZINC000346510827 412499117 /nfs/dbraw/zinc/49/91/17/412499117.db2.gz PXGSZZBSLOOXFL-UHFFFAOYSA-N -1 0 307.314 0.015 20 0 DBADRM CCCCNc1cc(NCCn2cc(C(=O)[O-])nn2)nc(N)n1 ZINC000575804910 412509814 /nfs/dbraw/zinc/50/98/14/412509814.db2.gz DRFGLMKQBOVHCH-UHFFFAOYSA-N -1 0 320.357 0.095 20 0 DBADRM CNS(=O)(=O)CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000262397923 290738887 /nfs/dbraw/zinc/73/88/87/290738887.db2.gz NSUSODLUSRIPPE-GUBZILKMSA-N -1 0 304.368 -0.220 20 0 DBADRM COc1cc2nc(NCc3n[nH]c(=O)[n-]3)nc(N)c2cc1OC ZINC000446862039 412519671 /nfs/dbraw/zinc/51/96/71/412519671.db2.gz OHQXRKDYBPYFMK-UHFFFAOYSA-N -1 0 317.309 0.087 20 0 DBADRM CCC[C@H](NC(=O)c1nc(N)nc(N(C)C)n1)c1nnn[n-]1 ZINC000612056768 412519985 /nfs/dbraw/zinc/51/99/85/412519985.db2.gz LZVVGYPASXLYSN-LURJTMIESA-N -1 0 306.334 -0.696 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F ZINC000349584688 412529833 /nfs/dbraw/zinc/52/98/33/412529833.db2.gz LIKYMFMZNFJIAX-YFKPBYRVSA-N -1 0 303.262 0.157 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000564983898 412530769 /nfs/dbraw/zinc/53/07/69/412530769.db2.gz JBQIEBJZXBQGMO-UHFFFAOYSA-N -1 0 319.339 -0.275 20 0 DBADRM Cc1n[n-]c(=NC(=O)c2nc(N)nc(N(C)C)n2)n1C1CC1 ZINC000565147642 412531490 /nfs/dbraw/zinc/53/14/90/412531490.db2.gz KLJKLEGPKKWZOP-UHFFFAOYSA-N -1 0 303.330 -0.571 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000275408345 534918450 /nfs/dbraw/zinc/91/84/50/534918450.db2.gz ZLSHFFLHSGZYGI-ZJUUUORDSA-N -1 0 317.367 -0.252 20 0 DBADRM Nc1nsc(N2CCN(c3ccc(C(=O)[O-])nn3)CC2)n1 ZINC000565036293 412542740 /nfs/dbraw/zinc/54/27/40/412542740.db2.gz QEUJLXLUAAGJFM-UHFFFAOYSA-N -1 0 307.339 -0.065 20 0 DBADRM Nc1nsc(N2CCN(C(=O)NCCCC(=O)[O-])CC2)n1 ZINC000563077919 412542932 /nfs/dbraw/zinc/54/29/32/412542932.db2.gz IQASSWBHMQVJFS-UHFFFAOYSA-N -1 0 314.371 -0.183 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000408302058 535100418 /nfs/dbraw/zinc/10/04/18/535100418.db2.gz WZJRTZGVXGHDRT-GFCCVEGCSA-N -1 0 317.367 -0.439 20 0 DBADRM Cc1oc(C)c(S(=O)(=O)N2CCNC(=O)C2)c1C(=O)[O-] ZINC000037300394 302870951 /nfs/dbraw/zinc/87/09/51/302870951.db2.gz ZWYMWVHXWLMIHG-UHFFFAOYSA-N -1 0 302.308 -0.285 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000038020389 283107538 /nfs/dbraw/zinc/10/75/38/283107538.db2.gz CMHBUYRHPHIELA-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000005495255 181249819 /nfs/dbraw/zinc/24/98/19/181249819.db2.gz DYHXAUIGBHUCKI-SSDOTTSWSA-N -1 0 301.324 -0.394 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000420604625 304053776 /nfs/dbraw/zinc/05/37/76/304053776.db2.gz YYXCORUWXNHVLQ-UHFFFAOYSA-N -1 0 319.317 -0.547 20 0 DBADRM CN1CCO[C@@H](C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)C1 ZINC000276554266 138096210 /nfs/dbraw/zinc/09/62/10/138096210.db2.gz GLWLBVGTOXTFRD-LLVKDONJSA-N -1 0 304.310 -0.775 20 0 DBADRM CNC(=O)[C@H](CCSC)NS(=O)(=O)[N-]CC(F)(F)F ZINC000341633777 138111751 /nfs/dbraw/zinc/11/17/51/138111751.db2.gz AAXSSICRWNMKJF-LURJTMIESA-N -1 0 323.362 -0.160 20 0 DBADRM CN1CCO[C@@H]2CCN(S(=O)(=O)[N-]CC(F)(F)F)C[C@H]21 ZINC000341041477 138103674 /nfs/dbraw/zinc/10/36/74/138103674.db2.gz MXNHLSQQBUXDLQ-RKDXNWHRSA-N -1 0 317.333 -0.212 20 0 DBADRM CN1CCO[C@H]2CCN(S(=O)(=O)[N-]CC(F)(F)F)C[C@@H]21 ZINC000341041474 138103977 /nfs/dbraw/zinc/10/39/77/138103977.db2.gz MXNHLSQQBUXDLQ-IUCAKERBSA-N -1 0 317.333 -0.212 20 0 DBADRM CSc1nc(=O)n(CC(=O)NCC(=O)OC(C)(C)C)[n-]1 ZINC000355938832 138141419 /nfs/dbraw/zinc/14/14/19/138141419.db2.gz KLCADZWLAJRNTE-UHFFFAOYSA-N -1 0 302.356 -0.249 20 0 DBADRM COC[C@@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCO1 ZINC000357438350 138145350 /nfs/dbraw/zinc/14/53/50/138145350.db2.gz MFIRVZKLMPWLAW-VIFPVBQESA-N -1 0 320.305 -0.077 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)c1c[nH]nc1-c1ccccn1 ZINC000354833114 138136844 /nfs/dbraw/zinc/13/68/44/138136844.db2.gz SKNHZNZTEJDNGE-UHFFFAOYSA-N -1 0 302.294 -0.214 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000372315313 138166219 /nfs/dbraw/zinc/16/62/19/138166219.db2.gz LCNKTYAFMAMTIO-LBPRGKRZSA-N -1 0 322.383 -0.087 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC(CO)C2)c1 ZINC000358099840 138148478 /nfs/dbraw/zinc/14/84/78/138148478.db2.gz UZTFVQPFHMYDTP-UHFFFAOYSA-N -1 0 314.363 -0.293 20 0 DBADRM CC(C)(C)c1nc(=NC(=O)C(=O)NC[C@](C)(O)CO)s[n-]1 ZINC000362221927 138151636 /nfs/dbraw/zinc/15/16/36/138151636.db2.gz TUUHRGWRWPDEEP-LBPRGKRZSA-N -1 0 316.383 -0.945 20 0 DBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]OC[C@@H]1CCOC1 ZINC000370060245 138155011 /nfs/dbraw/zinc/15/50/11/138155011.db2.gz OGJCFRJXSQUNTF-SNVBAGLBSA-N -1 0 311.338 -0.065 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)CC1=O ZINC000370217992 138155881 /nfs/dbraw/zinc/15/58/81/138155881.db2.gz BNOQXFFEWXODOQ-NQMVMOMDSA-N -1 0 306.322 -0.775 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)[N-]CC(F)(F)F)CC1=O ZINC000373857732 138174728 /nfs/dbraw/zinc/17/47/28/138174728.db2.gz CPUNUILGDCUSNG-PRJMDXOYSA-N -1 0 315.317 -0.018 20 0 DBADRM COc1ccc(C(=O)NCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000372902658 138170117 /nfs/dbraw/zinc/17/01/17/138170117.db2.gz IUZLXXVYXOJRTC-LBPRGKRZSA-N -1 0 322.317 -0.263 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCCC3)C1 ZINC000373030158 138171008 /nfs/dbraw/zinc/17/10/08/138171008.db2.gz RSRHUPWBHAVWFL-JTQLQIEISA-N -1 0 308.338 -0.296 20 0 DBADRM CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCS(C)(=O)=O ZINC000376591843 138188589 /nfs/dbraw/zinc/18/85/89/138188589.db2.gz GADWVQZSCVSKSD-DTWKUNHWSA-N -1 0 313.397 -0.454 20 0 DBADRM CN(CC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)S(C)(=O)=O ZINC000407998632 138201778 /nfs/dbraw/zinc/20/17/78/138201778.db2.gz SNFAXEZVIOCAPA-QMMMGPOBSA-N -1 0 317.371 -0.892 20 0 DBADRM Cn1nnc2c1nccc2C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000408029715 138203708 /nfs/dbraw/zinc/20/37/08/138203708.db2.gz YBYJFXRDQHIQAV-SSDOTTSWSA-N -1 0 311.323 -0.788 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)CO1 ZINC000408158202 138209396 /nfs/dbraw/zinc/20/93/96/138209396.db2.gz MNESJGRQYMOIOU-DTWKUNHWSA-N -1 0 315.351 -0.105 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)cn1 ZINC000408167123 138209465 /nfs/dbraw/zinc/20/94/65/138209465.db2.gz CAQMQYSHOXBGRP-UHFFFAOYSA-N -1 0 311.323 -0.482 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)ccc1=O ZINC000408405365 138217814 /nfs/dbraw/zinc/21/78/14/138217814.db2.gz QUJVHHZWDJRHPB-JTQLQIEISA-N -1 0 300.336 -0.376 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)CC1=O ZINC000408406598 138217914 /nfs/dbraw/zinc/21/79/14/138217914.db2.gz VECMVEIQOMKWNX-VHSXEESVSA-N -1 0 304.368 -0.520 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000408422685 138218055 /nfs/dbraw/zinc/21/80/55/138218055.db2.gz TUASGLAGCPMRQJ-NEPJUHHUSA-N -1 0 318.395 -0.130 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)C1 ZINC000408406458 138218262 /nfs/dbraw/zinc/21/82/62/138218262.db2.gz HTFROROFNJSIQA-WDEREUQCSA-N -1 0 318.395 -0.130 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000408428433 138218417 /nfs/dbraw/zinc/21/84/17/138218417.db2.gz UQJYKATXJNDBDR-MWLCHTKSSA-N -1 0 316.379 -0.378 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000408426569 138218616 /nfs/dbraw/zinc/21/86/16/138218616.db2.gz KQTLBXSBGZTIIN-GHMZBOCLSA-N -1 0 318.395 -0.130 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000408446632 138218926 /nfs/dbraw/zinc/21/89/26/138218926.db2.gz NZMLWRCNCHIUJI-NXEZZACHSA-N -1 0 304.368 -0.330 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000408445878 138218935 /nfs/dbraw/zinc/21/89/35/138218935.db2.gz CVJDQLBZDFMGDN-MNOVXSKESA-N -1 0 318.395 -0.082 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000408446634 138219154 /nfs/dbraw/zinc/21/91/54/138219154.db2.gz NZMLWRCNCHIUJI-VHSXEESVSA-N -1 0 304.368 -0.330 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000408446635 138219401 /nfs/dbraw/zinc/21/94/01/138219401.db2.gz NZMLWRCNCHIUJI-ZJUUUORDSA-N -1 0 304.368 -0.330 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000408454496 138219829 /nfs/dbraw/zinc/21/98/29/138219829.db2.gz UWKGGMJEMCATAC-RYUDHWBXSA-N -1 0 320.411 -0.278 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000408457865 138219999 /nfs/dbraw/zinc/21/99/99/138219999.db2.gz QUYZAEKMKBXVTJ-SECBINFHSA-N -1 0 300.340 -0.998 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1cnn2c1OCCC2 ZINC000408486361 138220270 /nfs/dbraw/zinc/22/02/70/138220270.db2.gz SEEOLZPLWWUIBB-VIFPVBQESA-N -1 0 315.351 -0.096 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1cnn2c1OCCC2 ZINC000408489684 138220361 /nfs/dbraw/zinc/22/03/61/138220361.db2.gz VJHHCZHWAFTBRG-QMMMGPOBSA-N -1 0 301.324 -0.486 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(N)=O)C2)cn1 ZINC000408478220 138220381 /nfs/dbraw/zinc/22/03/81/138220381.db2.gz IPUDMJRMMMRKOO-DTWKUNHWSA-N -1 0 314.367 -0.483 20 0 DBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)[N-]S(C)(=O)=O ZINC000408483161 138220384 /nfs/dbraw/zinc/22/03/84/138220384.db2.gz AZZMSOMHZARNMD-UHFFFAOYSA-N -1 0 310.353 -0.472 20 0 DBADRM C[C@]1(C(=O)[N-]S(=O)(=O)c2ncccc2F)CCC(=O)NC1 ZINC000408481884 138220391 /nfs/dbraw/zinc/22/03/91/138220391.db2.gz SOGKCMDBWSBEFU-LBPRGKRZSA-N -1 0 315.326 -0.058 20 0 DBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2ncccc2F)CCC(=O)NC1 ZINC000408481882 138220432 /nfs/dbraw/zinc/22/04/32/138220432.db2.gz SOGKCMDBWSBEFU-GFCCVEGCSA-N -1 0 315.326 -0.058 20 0 DBADRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)nn1C ZINC000408481478 138220488 /nfs/dbraw/zinc/22/04/88/138220488.db2.gz RQQLZXPJNGZCRW-UHFFFAOYSA-N -1 0 309.351 -0.010 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000408485534 138220534 /nfs/dbraw/zinc/22/05/34/138220534.db2.gz QSRKYWPYLRKTCF-UHFFFAOYSA-N -1 0 324.358 -0.095 20 0 DBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)s1 ZINC000408481669 138220535 /nfs/dbraw/zinc/22/05/35/138220535.db2.gz IZTXKFQSPSRRIG-UHFFFAOYSA-N -1 0 305.381 -0.411 20 0 DBADRM CO[C@@H](CNC(=O)Cn1ncc(=O)c2ccccc21)C(=O)[O-] ZINC000427796854 236921777 /nfs/dbraw/zinc/92/17/77/236921777.db2.gz JXJWCWGIQYTAPI-LBPRGKRZSA-N -1 0 305.290 -0.388 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)CCCNC(=O)OC)CC1 ZINC000497310347 237002327 /nfs/dbraw/zinc/00/23/27/237002327.db2.gz CHTPKTOMVBGCRK-UHFFFAOYSA-N -1 0 308.356 -0.252 20 0 DBADRM O=C(/C=C/C1CCOCC1)[N-]S(=O)(=O)N1CCOCC1 ZINC000492081630 237006174 /nfs/dbraw/zinc/00/61/74/237006174.db2.gz FTNQGXOYXXCKSG-OWOJBTEDSA-N -1 0 304.368 -0.338 20 0 DBADRM Cc1ccc(C(=O)NCCNC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000420554252 237403803 /nfs/dbraw/zinc/40/38/03/237403803.db2.gz IKUOUYWDORUQCH-UHFFFAOYSA-N -1 0 321.333 -0.568 20 0 DBADRM COC[C@@H](NC(=O)C(=O)N(C)CCCC(=O)[O-])[C@H]1CCCO1 ZINC000420553099 237405014 /nfs/dbraw/zinc/40/50/14/237405014.db2.gz GNDYHSMNCMUHBS-GHMZBOCLSA-N -1 0 316.354 -0.380 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])OC ZINC000424490305 237476417 /nfs/dbraw/zinc/47/64/17/237476417.db2.gz VEXHVACMYAAYHH-SECBINFHSA-N -1 0 304.343 -0.619 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCN(c2cnccn2)CC1 ZINC000037838021 283543717 /nfs/dbraw/zinc/54/37/17/283543717.db2.gz IESKDGPMAPSMOV-UHFFFAOYSA-N -1 0 314.367 -0.207 20 0 DBADRM O=C(CN1CN=NC1=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000444729345 238290615 /nfs/dbraw/zinc/29/06/15/238290615.db2.gz HAZRFTFSZAHDPG-UHFFFAOYSA-N -1 0 303.307 -0.042 20 0 DBADRM O=C(CNC(=O)c1cccc(O)c1)NCCc1nc(=O)o[n-]1 ZINC000447637412 238331705 /nfs/dbraw/zinc/33/17/05/238331705.db2.gz PYSATIIWDGIGGO-UHFFFAOYSA-N -1 0 306.278 -0.843 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CSCN1C(=O)C1CCC1)C(=O)[O-] ZINC000449005451 238350946 /nfs/dbraw/zinc/35/09/46/238350946.db2.gz VMFMIVKMCIVWNS-NXEZZACHSA-N -1 0 316.379 -0.096 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000532677495 283622214 /nfs/dbraw/zinc/62/22/14/283622214.db2.gz SESUESWNWAYTRA-MRVPVSSYSA-N -1 0 315.351 -0.188 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CCCC1 ZINC000534049913 283642028 /nfs/dbraw/zinc/64/20/28/283642028.db2.gz YXVXLAWETSJYQA-UHFFFAOYSA-N -1 0 313.397 -0.262 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CN(C)C(=O)OC(C)(C)C ZINC000491527137 238607628 /nfs/dbraw/zinc/60/76/28/238607628.db2.gz HCZXLHWEADRDMG-UHFFFAOYSA-N -1 0 310.372 -0.054 20 0 DBADRM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cn[nH]c2)cc1 ZINC000535617054 283653161 /nfs/dbraw/zinc/65/31/61/283653161.db2.gz OIFAMIHRGSKJIR-UHFFFAOYSA-N -1 0 302.337 -0.142 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1cc(F)c(F)c([O-])c1F ZINC000537723390 283668994 /nfs/dbraw/zinc/66/89/94/283668994.db2.gz ZULNFAAZQXHXIQ-UHFFFAOYSA-N -1 0 320.223 -0.172 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H](O)C1CCOCC1)[C@H](C)C(=O)[O-] ZINC000540966293 283686820 /nfs/dbraw/zinc/68/68/20/283686820.db2.gz DSMXUKQLRJBJHN-BXKDBHETSA-N -1 0 316.354 -0.788 20 0 DBADRM COc1cncc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000540983313 283687340 /nfs/dbraw/zinc/68/73/40/283687340.db2.gz RITZDIDFTPAPAW-KWQFWETISA-N -1 0 316.335 -0.142 20 0 DBADRM COc1cncc(S(=O)(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])c1 ZINC000543784360 283708772 /nfs/dbraw/zinc/70/87/72/283708772.db2.gz KHMLVLQNOCGWKI-KOLCDFICSA-N -1 0 316.335 -0.047 20 0 DBADRM O=C([O-])[C@@H]1CCCN1C(=O)CSCC(=O)N1CCOCC1 ZINC000036974177 304111719 /nfs/dbraw/zinc/11/17/19/304111719.db2.gz OZJHCFQWYXEZAS-JTQLQIEISA-N -1 0 316.379 -0.346 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc2c(c1)ncn2C)C(=O)[O-] ZINC000547563165 283745047 /nfs/dbraw/zinc/74/50/47/283745047.db2.gz QKJHFTQZIKZDKV-SNVBAGLBSA-N -1 0 313.335 -0.049 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C1CC1 ZINC000547572154 283745102 /nfs/dbraw/zinc/74/51/02/283745102.db2.gz IDFUBWYUWBFZNK-LLVKDONJSA-N -1 0 323.334 -0.196 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000547587266 283745847 /nfs/dbraw/zinc/74/58/47/283745847.db2.gz DOSVUMGLMHFLGV-IUCAKERBSA-N -1 0 306.340 -0.655 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000547587265 283746084 /nfs/dbraw/zinc/74/60/84/283746084.db2.gz DOSVUMGLMHFLGV-DTWKUNHWSA-N -1 0 306.340 -0.655 20 0 DBADRM CC[C@H](C)CS(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-] ZINC000547549680 283742957 /nfs/dbraw/zinc/74/29/57/283742957.db2.gz DTQFNWKZIREEHO-QWRGUYRKSA-N -1 0 308.400 -0.263 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])c[nH]1 ZINC000547552094 283743815 /nfs/dbraw/zinc/74/38/15/283743815.db2.gz CSLHMZIMUKOKOQ-BDAKNGLRSA-N -1 0 303.340 -0.124 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)c2c[nH]c(C)n2)C(=O)[O-])c1 ZINC000547551420 283743890 /nfs/dbraw/zinc/74/38/90/283743890.db2.gz VWEZRPKUDKFONH-SECBINFHSA-N -1 0 313.339 -0.345 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000262916464 299340974 /nfs/dbraw/zinc/34/09/74/299340974.db2.gz UGMQLQLBXJFAID-GXSJLCMTSA-N -1 0 314.363 -0.264 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1cn(C)c(C)n1 ZINC000547907370 283758554 /nfs/dbraw/zinc/75/85/54/283758554.db2.gz MQDSMLRSRZCALQ-UHFFFAOYSA-N -1 0 305.356 -0.160 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1N(C)C ZINC000547874989 283755686 /nfs/dbraw/zinc/75/56/86/283755686.db2.gz RSYUETCAFXXWOL-SNVBAGLBSA-N -1 0 302.352 -0.215 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])o1 ZINC000547881143 283756327 /nfs/dbraw/zinc/75/63/27/283756327.db2.gz GAVBPKKPKQGVQU-ZCFIWIBFSA-N -1 0 307.280 -0.820 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)c2cn(C)cn2)C(=O)[O-])c1 ZINC000547880888 283756331 /nfs/dbraw/zinc/75/63/31/283756331.db2.gz AZJIPTWAFXMATP-VIFPVBQESA-N -1 0 313.339 -0.643 20 0 DBADRM COCCOCCS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000547881706 283756333 /nfs/dbraw/zinc/75/63/33/283756333.db2.gz OZAZDKYCIQALCT-SSDOTTSWSA-N -1 0 305.299 -0.323 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547881381 283756335 /nfs/dbraw/zinc/75/63/35/283756335.db2.gz IZTIOHYLBJIDTH-MWLCHTKSSA-N -1 0 323.367 -0.261 20 0 DBADRM CCc1ncc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])s1 ZINC000547881600 283756374 /nfs/dbraw/zinc/75/63/74/283756374.db2.gz JJKUTFIUMYEGAR-YFKPBYRVSA-N -1 0 307.353 -0.688 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000547887406 283756939 /nfs/dbraw/zinc/75/69/39/283756939.db2.gz RHNDZLMJNFSWCR-KOLCDFICSA-N -1 0 316.383 -0.266 20 0 DBADRM Cn1cc(C[C@H](NS(=O)(=O)N2CCCC2)C(=O)[O-])cn1 ZINC000547886424 283757070 /nfs/dbraw/zinc/75/70/70/283757070.db2.gz AUPBUJVLYUXMDP-JTQLQIEISA-N -1 0 302.356 -0.654 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])C1 ZINC000547929911 283759832 /nfs/dbraw/zinc/75/98/32/283759832.db2.gz ATAMNAVXFLKMOS-OOSSNNJISA-N -1 0 310.397 -0.910 20 0 DBADRM COCCOCCS(=O)(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000548239880 283772315 /nfs/dbraw/zinc/77/23/15/283772315.db2.gz JBTRBWHJLRXNAO-UHFFFAOYSA-N -1 0 323.289 -0.072 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000548243134 283772418 /nfs/dbraw/zinc/77/24/18/283772418.db2.gz MUDJLWRWFHSQCP-SECBINFHSA-N -1 0 311.356 -0.452 20 0 DBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC000548206180 283770431 /nfs/dbraw/zinc/77/04/31/283770431.db2.gz MKPHTZRKYNWQBP-LPEHRKFASA-N -1 0 323.367 -0.527 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)N1CC(C(=O)[O-])C1 ZINC000548220216 283770721 /nfs/dbraw/zinc/77/07/21/283770721.db2.gz YKGBWSDHFGQJBV-UHFFFAOYSA-N -1 0 306.321 -0.365 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)c[nH]1 ZINC000548217390 283770761 /nfs/dbraw/zinc/77/07/61/283770761.db2.gz NCUMZQKTGVFYSK-SECBINFHSA-N -1 0 302.308 -0.057 20 0 DBADRM COCCS(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000548221613 283771362 /nfs/dbraw/zinc/77/13/62/283771362.db2.gz YNZZALCXEZKKHA-JTQLQIEISA-N -1 0 305.356 -0.771 20 0 DBADRM CC(C)OCCS(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000548225796 283771384 /nfs/dbraw/zinc/77/13/84/283771384.db2.gz YBYJMUBHRUYUJO-SNVBAGLBSA-N -1 0 322.383 -0.736 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])C1 ZINC000548228516 283771889 /nfs/dbraw/zinc/77/18/89/283771889.db2.gz JYQHXTDNCCPKQS-MWLCHTKSSA-N -1 0 316.383 -0.408 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])o1 ZINC000548566181 283784838 /nfs/dbraw/zinc/78/48/38/283784838.db2.gz XFZNBYYPQUXZOU-UHFFFAOYSA-N -1 0 321.307 -0.476 20 0 DBADRM COCCn1cc(S(=O)(=O)N(C)[C@@H](COC)C(=O)[O-])cn1 ZINC000548571536 283785197 /nfs/dbraw/zinc/78/51/97/283785197.db2.gz OZPCPHDGWWBHOI-JTQLQIEISA-N -1 0 321.355 -0.750 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000548527019 283781932 /nfs/dbraw/zinc/78/19/32/283781932.db2.gz YBRSUILWPFJGMJ-SSDOTTSWSA-N -1 0 304.328 -0.929 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000548530131 283782473 /nfs/dbraw/zinc/78/24/73/283782473.db2.gz QWCCNJJGZGNWIN-WPRPVWTQSA-N -1 0 309.340 -0.651 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000548529475 283782597 /nfs/dbraw/zinc/78/25/97/283782597.db2.gz DIGSLEOQFZUEKP-WCBMZHEXSA-N -1 0 303.340 -0.329 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000548534280 283783140 /nfs/dbraw/zinc/78/31/40/283783140.db2.gz LQXNUVKSDLPMIZ-ZCFIWIBFSA-N -1 0 314.241 -0.176 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)NC[C@H](OC)C(=O)[O-] ZINC000548540259 283783731 /nfs/dbraw/zinc/78/37/31/283783731.db2.gz GLRANQCHHRAMDW-YFKPBYRVSA-N -1 0 324.336 -0.692 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])c(C)o1 ZINC000548540589 283783846 /nfs/dbraw/zinc/78/38/46/283783846.db2.gz SMNRHYVGKWJDMY-QMMMGPOBSA-N -1 0 321.307 -0.247 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)CCCF)C2)C1 ZINC000548575874 283785724 /nfs/dbraw/zinc/78/57/24/283785724.db2.gz KNVOQWXVDSHIKI-ZJUUUORDSA-N -1 0 322.358 -0.317 20 0 DBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCCOCC(=O)[O-] ZINC000548589320 283786597 /nfs/dbraw/zinc/78/65/97/283786597.db2.gz LXZFHNQACZXPQZ-UWVGGRQHSA-N -1 0 323.367 -0.261 20 0 DBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)N1CCCCCC1 ZINC000548586895 283786665 /nfs/dbraw/zinc/78/66/65/283786665.db2.gz MSMXUNLSRAIALN-GIGQVBGESA-N -1 0 324.424 -0.375 20 0 DBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1ccsc1 ZINC000551913363 283816862 /nfs/dbraw/zinc/81/68/62/283816862.db2.gz BPXRGOFSWGGXMP-CQLKUDPESA-N -1 0 309.390 -0.046 20 0 DBADRM CCC[C@H](C)N1C[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])CC1=O ZINC000262466282 283826695 /nfs/dbraw/zinc/82/66/95/283826695.db2.gz YHKPGHJDUCVDQE-BHDSKKPTSA-N -1 0 300.355 -0.025 20 0 DBADRM O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1n[nH]c(=O)[n-]1 ZINC000552396527 283917526 /nfs/dbraw/zinc/91/75/26/283917526.db2.gz YKLBTTITCKYJBM-SSDOTTSWSA-N -1 0 322.277 -0.591 20 0 DBADRM CCOC[C@H](NS(=O)(=O)c1c(Cl)cnn1C)C(=O)[O-] ZINC000555128246 283941151 /nfs/dbraw/zinc/94/11/51/283941151.db2.gz CESVAWDDUATDLE-ZETCQYMHSA-N -1 0 311.747 -0.159 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)C[C@H]2CCOC2)C[C@]12CCOC2 ZINC000555825345 283947379 /nfs/dbraw/zinc/94/73/79/283947379.db2.gz DZVDJPJQIMSUMH-GVXVVHGQSA-N -1 0 319.379 -0.224 20 0 DBADRM COCCN(CCOC)S(=O)(=O)NC1(C(=O)[O-])CCC1 ZINC000558590306 283975516 /nfs/dbraw/zinc/97/55/16/283975516.db2.gz MHFMJCWHWBLMNW-UHFFFAOYSA-N -1 0 310.372 -0.577 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000262103604 304134959 /nfs/dbraw/zinc/13/49/59/304134959.db2.gz JCCMQDFAGUFZCE-NEPJUHHUSA-N -1 0 310.350 -0.053 20 0 DBADRM COCCN(CCOC)C(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000560075919 283987471 /nfs/dbraw/zinc/98/74/71/283987471.db2.gz AKMBBDTWNQWWPF-LADRHHBVSA-N -1 0 322.383 -0.781 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000560078416 283988037 /nfs/dbraw/zinc/98/80/37/283988037.db2.gz QDGDKFRYUBLXAQ-DTWKUNHWSA-N -1 0 308.356 -0.743 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000262560726 304134779 /nfs/dbraw/zinc/13/47/79/304134779.db2.gz ZPHCSRZUUNGQHS-NSHDSACASA-N -1 0 318.285 -0.405 20 0 DBADRM O=C([O-])[C@H](NC(=O)NCCCn1ccnn1)C1CCOCC1 ZINC000559573923 283984701 /nfs/dbraw/zinc/98/47/01/283984701.db2.gz QUIALKQCYIXPNO-LLVKDONJSA-N -1 0 311.342 -0.153 20 0 DBADRM O=C([O-])CN(C1CC1)S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000562320114 284007277 /nfs/dbraw/zinc/00/72/77/284007277.db2.gz VVLHILJYWFZKQQ-UHFFFAOYSA-N -1 0 323.334 -0.100 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000562374705 284008285 /nfs/dbraw/zinc/00/82/85/284008285.db2.gz GWPVINGAZRFNLU-SNVBAGLBSA-N -1 0 306.384 -0.019 20 0 DBADRM O=c1[n-]c(CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)n[nH]1 ZINC000561783863 284003317 /nfs/dbraw/zinc/00/33/17/284003317.db2.gz DWYPGAGCXRTNCN-VIFPVBQESA-N -1 0 315.399 -0.196 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000562425317 284010425 /nfs/dbraw/zinc/01/04/25/284010425.db2.gz NYNLXQBMMJPCAU-ZYHUDNBSSA-N -1 0 322.383 -0.768 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)c1ccn(C)n1)c1ccn(C)n1 ZINC000563062940 284020755 /nfs/dbraw/zinc/02/07/55/284020755.db2.gz KTLHCQGOMXUMIX-SNVBAGLBSA-N -1 0 313.339 -0.654 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccn(C)n1)c1ccn(C)n1 ZINC000563062938 284021017 /nfs/dbraw/zinc/02/10/17/284021017.db2.gz KTLHCQGOMXUMIX-JTQLQIEISA-N -1 0 313.339 -0.654 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2cccnc2C(=O)[O-])CCO1 ZINC000563071001 284021472 /nfs/dbraw/zinc/02/14/72/284021472.db2.gz QVAJDWJBKLVOJD-VIFPVBQESA-N -1 0 316.335 -0.184 20 0 DBADRM O=C([O-])[C@H]1CN(c2ccc3c(n2)CCC3=O)CCS1(=O)=O ZINC000562981187 284018913 /nfs/dbraw/zinc/01/89/13/284018913.db2.gz ZICRGJVOGHIGND-LLVKDONJSA-N -1 0 310.331 -0.102 20 0 DBADRM O=C([O-])[C@@H]1CN(c2ccc3c(n2)CCC3=O)CCS1(=O)=O ZINC000562981188 284019050 /nfs/dbraw/zinc/01/90/50/284019050.db2.gz ZICRGJVOGHIGND-NSHDSACASA-N -1 0 310.331 -0.102 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000562999239 284019537 /nfs/dbraw/zinc/01/95/37/284019537.db2.gz HNPUNGXPXXJRCJ-SNVBAGLBSA-N -1 0 306.384 -0.004 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000563133578 284025404 /nfs/dbraw/zinc/02/54/04/284025404.db2.gz JQVUUBOYDLANEV-IUCAKERBSA-N -1 0 322.321 -0.007 20 0 DBADRM CC1(C)CN(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)CCO1 ZINC000563078830 284022083 /nfs/dbraw/zinc/02/20/83/284022083.db2.gz IYYHICWCBODVSN-LLVKDONJSA-N -1 0 324.424 -0.108 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)N1C(=O)CCC1=O ZINC000563190977 284028149 /nfs/dbraw/zinc/02/81/49/284028149.db2.gz AWMMULMEQQECCQ-BDAKNGLRSA-N -1 0 321.337 -0.246 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC000563200723 284028703 /nfs/dbraw/zinc/02/87/03/284028703.db2.gz KELQZFCQGNWKLX-UHFFFAOYSA-N -1 0 314.338 -0.817 20 0 DBADRM CCCN(C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)[C@H](C)C(=O)[O-] ZINC000563210650 284029241 /nfs/dbraw/zinc/02/92/41/284029241.db2.gz GQJLHCIIHLBTSI-NXEZZACHSA-N -1 0 321.399 -0.085 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)[C@@H]1CCO[C@H](C)C1)C(=O)[O-] ZINC000563226707 284029621 /nfs/dbraw/zinc/02/96/21/284029621.db2.gz SVTNSWYYIYMLHV-IWSPIJDZSA-N -1 0 309.340 -0.510 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000563143660 284026572 /nfs/dbraw/zinc/02/65/72/284026572.db2.gz STUZUJDBGVUPCE-UTUOFQBUSA-N -1 0 310.350 -0.053 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C[C@H](C)CC(=O)[O-] ZINC000563422254 284038160 /nfs/dbraw/zinc/03/81/60/284038160.db2.gz FGJXTIVUUASEMG-VHSXEESVSA-N -1 0 313.354 -0.660 20 0 DBADRM COCCN(CCOC)C(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000563430257 284038769 /nfs/dbraw/zinc/03/87/69/284038769.db2.gz DTQJSZKDWVDCQR-NEPJUHHUSA-N -1 0 318.370 -0.141 20 0 DBADRM O=C(CCn1nc2ccccn2c1=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000563449500 284040236 /nfs/dbraw/zinc/04/02/36/284040236.db2.gz MWCRIJBNIAFMMD-MGCOHNPYSA-N -1 0 304.306 -0.135 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000563540548 284042744 /nfs/dbraw/zinc/04/27/44/284042744.db2.gz CANVIJXVAIYIGA-SNVBAGLBSA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCCn2ccnn2)C[C@@H]1C(=O)[O-] ZINC000563715450 284047732 /nfs/dbraw/zinc/04/77/32/284047732.db2.gz XQORCIJJCCGAOO-QWRGUYRKSA-N -1 0 323.353 -0.646 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000563621240 284044917 /nfs/dbraw/zinc/04/49/17/284044917.db2.gz UQODEBZEJUZQHX-UMNHJUIQSA-N -1 0 324.399 -0.190 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)CCCC(=O)OC)C(=O)[O-] ZINC000564392863 284059782 /nfs/dbraw/zinc/05/97/82/284059782.db2.gz GAHDSZIWIRZJJS-WCBMZHEXSA-N -1 0 311.356 -0.527 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000564651569 284064104 /nfs/dbraw/zinc/06/41/04/284064104.db2.gz LIJZEIIXPLAOCP-MGCOHNPYSA-N -1 0 310.372 -0.721 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CC(F)(F)CN)s1 ZINC000564735184 284066009 /nfs/dbraw/zinc/06/60/09/284066009.db2.gz QLTLLBKSMXZTAQ-UHFFFAOYSA-N -1 0 315.327 -0.168 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000564923204 284071927 /nfs/dbraw/zinc/07/19/27/284071927.db2.gz FAEFBSXNUQYHGW-UHFFFAOYSA-N -1 0 300.336 -0.320 20 0 DBADRM COc1ccc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)cn1 ZINC000564921822 284071961 /nfs/dbraw/zinc/07/19/61/284071961.db2.gz PVPJOEVOFRNNHG-UHFFFAOYSA-N -1 0 316.335 -0.310 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000564925752 284072507 /nfs/dbraw/zinc/07/25/07/284072507.db2.gz BPYSLNGVZZRYPP-OCAPTIKFSA-N -1 0 301.324 -0.193 20 0 DBADRM COCCN1CCCN(C(=O)NCCCC(=O)[O-])CC1=O ZINC000564935390 284072962 /nfs/dbraw/zinc/07/29/62/284072962.db2.gz ATNPMTBIMHNCLU-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCOC[C@H]2[C@@H]2CCCO2)nn1 ZINC000565032437 284078524 /nfs/dbraw/zinc/07/85/24/284078524.db2.gz BEHAMNNTLJEILG-QWRGUYRKSA-N -1 0 310.310 -0.617 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000564972458 284075166 /nfs/dbraw/zinc/07/51/66/284075166.db2.gz VQHGZTDDCIEOIR-UHFFFAOYSA-N -1 0 321.289 -0.063 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)CC2)C[C@@H]1C(=O)[O-] ZINC000564972520 284075258 /nfs/dbraw/zinc/07/52/58/284075258.db2.gz VLQSIZNQBHQNNZ-YPMHNXCESA-N -1 0 323.393 -0.138 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)Cc2ccn(C)n2)C1=O ZINC000564978972 284075686 /nfs/dbraw/zinc/07/56/86/284075686.db2.gz PYGFBOQSYHIPOG-WCQYABFASA-N -1 0 322.365 -0.211 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000564980068 284076083 /nfs/dbraw/zinc/07/60/83/284076083.db2.gz YHZXORXVVAPLHJ-UHFFFAOYSA-N -1 0 322.383 -0.640 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000565053825 284079984 /nfs/dbraw/zinc/07/99/84/284079984.db2.gz FIRPEPLCDJCOSE-JOYOIKCWSA-N -1 0 306.384 -0.020 20 0 DBADRM Cc1ccc(CS(=O)(=O)NCC(=O)NCC(=O)[O-])cc1C ZINC000565057709 284080047 /nfs/dbraw/zinc/08/00/47/284080047.db2.gz JOLFISNITJSWFD-UHFFFAOYSA-N -1 0 314.363 -0.076 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000565053821 284080088 /nfs/dbraw/zinc/08/00/88/284080088.db2.gz FIRPEPLCDJCOSE-BXKDBHETSA-N -1 0 306.384 -0.020 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)s1 ZINC000565056777 284080150 /nfs/dbraw/zinc/08/01/50/284080150.db2.gz UFEOLGZNWQXWMU-FFWSUHOLSA-N -1 0 323.352 -0.786 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C1(C(=O)[O-])CC1 ZINC000565048119 284079670 /nfs/dbraw/zinc/07/96/70/284079670.db2.gz SLUXYKRQMPNEFK-DTWKUNHWSA-N -1 0 304.368 -0.315 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000565301427 284091935 /nfs/dbraw/zinc/09/19/35/284091935.db2.gz VBAPRTNVZDJXEQ-SECBINFHSA-N -1 0 312.413 -0.299 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000565345172 284093165 /nfs/dbraw/zinc/09/31/65/284093165.db2.gz XAMUUBAWDUQVJC-JTQLQIEISA-N -1 0 322.383 -0.640 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCOC[C@@]12CCOC2 ZINC000565361403 284093652 /nfs/dbraw/zinc/09/36/52/284093652.db2.gz NAIAKNLCRUHVJU-PWSUYJOCSA-N -1 0 320.367 -0.729 20 0 DBADRM COC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-] ZINC000565808161 284104816 /nfs/dbraw/zinc/10/48/16/284104816.db2.gz OEUAGKSNWSBAPE-MRVPVSSYSA-N -1 0 309.340 -0.651 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2C=CCCC2)CCS1(=O)=O ZINC000565827981 284105007 /nfs/dbraw/zinc/10/50/07/284105007.db2.gz DXUGETMGLDVVGO-ZJUUUORDSA-N -1 0 302.352 -0.012 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000565963124 284108350 /nfs/dbraw/zinc/10/83/50/284108350.db2.gz QCULFAVBOGZWNW-VIFPVBQESA-N -1 0 306.365 -0.119 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](C(=O)OC)C2)o1 ZINC000598520844 376209844 /nfs/dbraw/zinc/20/98/44/376209844.db2.gz JDIJAAIMYZEVDT-ZKCHVHJHSA-N -1 0 316.335 -0.131 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc2ccccc2oc1=O ZINC000015785523 182017476 /nfs/dbraw/zinc/01/74/76/182017476.db2.gz JHGWKLNMUSCKJQ-UHFFFAOYSA-N -1 0 304.258 -0.276 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC000020180599 182194633 /nfs/dbraw/zinc/19/46/33/182194633.db2.gz ABMYMWGRQFAICN-UHFFFAOYSA-N -1 0 303.340 -0.318 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000020301911 182204387 /nfs/dbraw/zinc/20/43/87/182204387.db2.gz DPDMUYMZJMBHOS-MRVPVSSYSA-N -1 0 306.727 -0.053 20 0 DBADRM CCOCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1C ZINC000530436037 374258161 /nfs/dbraw/zinc/25/81/61/374258161.db2.gz QYDQKBGGYYZCJF-SNVBAGLBSA-N -1 0 305.356 -0.190 20 0 DBADRM C[C@@H](NC(=O)CNC(=O)c1cnc2ccccc2c1O)C(N)=O ZINC000044973398 374271075 /nfs/dbraw/zinc/27/10/75/374271075.db2.gz WBNJZRPXEMMOTO-MRVPVSSYSA-N -1 0 316.317 -0.752 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](CC1CCC1)C(=O)[O-] ZINC000530472470 374272838 /nfs/dbraw/zinc/27/28/38/374272838.db2.gz BXONXMHISDDGHT-SNVBAGLBSA-N -1 0 322.383 -0.041 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](CC1CCC1)C(=O)[O-] ZINC000530472469 374273392 /nfs/dbraw/zinc/27/33/92/374273392.db2.gz BXONXMHISDDGHT-JTQLQIEISA-N -1 0 322.383 -0.041 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)[C@@H]1CCC[C@H]1C(=O)OC)C(=O)OC ZINC000530485540 374274844 /nfs/dbraw/zinc/27/48/44/374274844.db2.gz NRLKKZNXXCYTOA-KXUCPTDWSA-N -1 0 323.367 -0.565 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCCNC2=O)cn1 ZINC000624925088 374326599 /nfs/dbraw/zinc/32/65/99/374326599.db2.gz UTBJMIBADYZLIP-VIFPVBQESA-N -1 0 312.351 -0.539 20 0 DBADRM CNS(=O)(=O)c1ccc(CCC(=O)NCC(=O)[O-])cc1 ZINC000262651136 374335527 /nfs/dbraw/zinc/33/55/27/374335527.db2.gz RWBHOWDRJVPQLR-UHFFFAOYSA-N -1 0 300.336 -0.272 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)N(CC)CC)C(=O)[O-] ZINC000233690863 374362711 /nfs/dbraw/zinc/36/27/11/374362711.db2.gz CVRVLQSECSUIFD-VIFPVBQESA-N -1 0 310.372 -0.041 20 0 DBADRM C[C@@](O)(CO)CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000235375874 374395033 /nfs/dbraw/zinc/39/50/33/374395033.db2.gz HBXCMENHSWWDID-NSHDSACASA-N -1 0 304.324 -0.813 20 0 DBADRM C[C@H]1C[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCO1 ZINC000235673031 374400985 /nfs/dbraw/zinc/40/09/85/374400985.db2.gz VCKLAEQZNQJGJC-DTWKUNHWSA-N -1 0 303.340 -0.187 20 0 DBADRM COC[C@H](CNC(=O)N1CC[C@](COC)(C(=O)[O-])C1)OC ZINC000314876727 374417198 /nfs/dbraw/zinc/41/71/98/374417198.db2.gz GLYKSMXBUQEEQE-GWCFXTLKSA-N -1 0 304.343 -0.220 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)cn1C ZINC000050253333 374419476 /nfs/dbraw/zinc/41/94/76/374419476.db2.gz NUVWZYGWWJUFBH-SNVBAGLBSA-N -1 0 305.381 -0.033 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])nc1C ZINC000050265471 374423349 /nfs/dbraw/zinc/42/33/49/374423349.db2.gz PWWKBQZIQHKJPB-MRVPVSSYSA-N -1 0 318.355 -0.792 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-])cn1C ZINC000133211609 374428867 /nfs/dbraw/zinc/42/88/67/374428867.db2.gz VNBPDAGUUGYPDV-HTQZYQBOSA-N -1 0 317.367 -0.228 20 0 DBADRM COC(=O)CCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000130832247 374428903 /nfs/dbraw/zinc/42/89/03/374428903.db2.gz CFBYGXBCJDDIEE-SNVBAGLBSA-N -1 0 319.339 -0.582 20 0 DBADRM Cn1cnnc1CNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000134690885 374431837 /nfs/dbraw/zinc/43/18/37/374431837.db2.gz YLQNFKQFVQXWJB-UHFFFAOYSA-N -1 0 303.325 -0.552 20 0 DBADRM CN1C(=O)Cc2cc(S(=O)(=O)N3CC(C(=O)[O-])C3)ccc21 ZINC000071173310 374480850 /nfs/dbraw/zinc/48/08/50/374480850.db2.gz YOEWHCFNAZHIRR-UHFFFAOYSA-N -1 0 310.331 -0.089 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)c2cc(=O)[nH][n-]2)C1 ZINC000600321529 374493339 /nfs/dbraw/zinc/49/33/39/374493339.db2.gz SSXMVHWEBQAFDS-CBAPKCEASA-N -1 0 311.294 -0.318 20 0 DBADRM O=C(CN1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1)N1CCCCC1 ZINC000616538807 374538810 /nfs/dbraw/zinc/53/88/10/374538810.db2.gz ZSWVFTRLIXFLOW-UHFFFAOYSA-N -1 0 322.369 -0.719 20 0 DBADRM CCOCCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000048607063 374572004 /nfs/dbraw/zinc/57/20/04/374572004.db2.gz ZWLDFINUQSBSBE-UHFFFAOYSA-N -1 0 320.143 -0.548 20 0 DBADRM C[C@H](NC(=O)CN(C)S(C)(=O)=O)c1ncc(C(=O)[O-])s1 ZINC000621609913 374600508 /nfs/dbraw/zinc/60/05/08/374600508.db2.gz XZRDVTBWIYSFQE-LURJTMIESA-N -1 0 321.380 -0.090 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@H]2CCO[C@@H]2C)C1 ZINC000569100472 374638289 /nfs/dbraw/zinc/63/82/89/374638289.db2.gz JCGLNLIPDKMUMI-SCVCMEIPSA-N -1 0 307.368 -0.083 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCOC[C@@]12CCOC2 ZINC000584229767 374645883 /nfs/dbraw/zinc/64/58/83/374645883.db2.gz QARJKNZVMCKMRU-NSHDSACASA-N -1 0 317.323 -0.712 20 0 DBADRM COC(=O)c1ccc(CS(=O)(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000090262633 374650760 /nfs/dbraw/zinc/65/07/60/374650760.db2.gz GFKRHYJPOLDMOC-JTQLQIEISA-N -1 0 317.319 -0.662 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000090262699 374650766 /nfs/dbraw/zinc/65/07/66/374650766.db2.gz LORWIISZQVORLP-VIFPVBQESA-N -1 0 303.292 -0.803 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-][C@H]1COCCC1=O)C1CCOCC1 ZINC000625492389 374659557 /nfs/dbraw/zinc/65/95/57/374659557.db2.gz QMPBAXQIYMWEPH-WCQYABFASA-N -1 0 321.395 -0.295 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCOC1 ZINC000262057346 374680817 /nfs/dbraw/zinc/68/08/17/374680817.db2.gz DOYYUWJVRUPWMR-ABAIWWIYSA-N -1 0 310.350 -0.005 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC(=O)[O-] ZINC000262664165 374737129 /nfs/dbraw/zinc/73/71/29/374737129.db2.gz VFZBINTYHWNCFU-ZCFIWIBFSA-N -1 0 305.312 -0.841 20 0 DBADRM O=C(CN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)Nc1ccccc1 ZINC000092616742 374805895 /nfs/dbraw/zinc/80/58/95/374805895.db2.gz NZLROYUHUWGBDR-UHFFFAOYSA-N -1 0 316.365 -0.146 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N[C@@H](C(=O)[O-])C2CC2)C1 ZINC000400112884 374809760 /nfs/dbraw/zinc/80/97/60/374809760.db2.gz GSDQOLBBKSJAIY-NXEZZACHSA-N -1 0 319.383 -0.427 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000400118950 374812151 /nfs/dbraw/zinc/81/21/51/374812151.db2.gz KIXAPPSSXXMMBS-AEJSXWLSSA-N -1 0 318.395 -0.117 20 0 DBADRM CS(=O)(=O)NCCc1ccc(C(=O)NCc2nnn[n-]2)cc1 ZINC000600497471 374786097 /nfs/dbraw/zinc/78/60/97/374786097.db2.gz MIMGQKPYCOENAT-UHFFFAOYSA-N -1 0 324.366 -0.779 20 0 DBADRM C[C@H](C(=O)NCc1nnn[n-]1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000600497728 374786117 /nfs/dbraw/zinc/78/61/17/374786117.db2.gz QRWUSNPBKKFUKU-HLTSFMKQSA-N -1 0 306.326 -0.620 20 0 DBADRM C[C@H]1Oc2ccccc2N(CC(=O)NCc2nnn[n-]2)C1=O ZINC000600497722 374786158 /nfs/dbraw/zinc/78/61/58/374786158.db2.gz QJWAKTVKSGAGPN-MRVPVSSYSA-N -1 0 302.294 -0.370 20 0 DBADRM O=C(CNC(=O)NCc1ccc(Cl)cc1)NCc1nnn[n-]1 ZINC000600497227 374786212 /nfs/dbraw/zinc/78/62/12/374786212.db2.gz ZWYZNPMPPMVPKW-UHFFFAOYSA-N -1 0 323.744 -0.031 20 0 DBADRM Cc1ccc(CNC(=O)NCC(=O)NCc2nnn[n-]2)cc1 ZINC000600502683 374788226 /nfs/dbraw/zinc/78/82/26/374788226.db2.gz RLTHPVFSFCFDMC-UHFFFAOYSA-N -1 0 303.326 -0.376 20 0 DBADRM O=C(CNC(=O)NCc1ccc(F)cc1)NCc1nnn[n-]1 ZINC000600506282 374790499 /nfs/dbraw/zinc/79/04/99/374790499.db2.gz UTBWVZRBNJHDTN-UHFFFAOYSA-N -1 0 307.289 -0.546 20 0 DBADRM CC(C)[C@@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400180084 374888106 /nfs/dbraw/zinc/88/81/06/374888106.db2.gz GUAOYYIIBJFOQS-RKDXNWHRSA-N -1 0 307.372 -0.571 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N[C@H](C(=O)[O-])C2CC2)C1 ZINC000400189916 374888799 /nfs/dbraw/zinc/88/87/99/374888799.db2.gz LENSMPUBETVNAP-BDAKNGLRSA-N -1 0 305.356 -0.817 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000600656349 374836797 /nfs/dbraw/zinc/83/67/97/374836797.db2.gz CIXIZLNTWDJPIF-DTORHVGOSA-N -1 0 308.356 -0.479 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])C1CC1 ZINC000600652455 374839227 /nfs/dbraw/zinc/83/92/27/374839227.db2.gz UPDHHHKGZIIJIT-UWVGGRQHSA-N -1 0 323.367 -0.263 20 0 DBADRM CCOC(=O)c1cnc([N-]S(=O)(=O)c2cnnn2C)n1C ZINC000600666971 374839591 /nfs/dbraw/zinc/83/95/91/374839591.db2.gz NWKOVJSYIYWMBN-UHFFFAOYSA-N -1 0 314.327 -0.474 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)NC2(C(=O)[O-])CC2)C1 ZINC000400145140 374854614 /nfs/dbraw/zinc/85/46/14/374854614.db2.gz YTIYPZGJOISQOY-MRVPVSSYSA-N -1 0 305.356 -0.673 20 0 DBADRM O=[N+]([O-])c1cc(S(=O)(=O)NCCn2cnnc2)ccc1[O-] ZINC000381344207 374920274 /nfs/dbraw/zinc/92/02/74/374920274.db2.gz CMWOJENHOYIGPV-UHFFFAOYSA-N -1 0 313.295 -0.130 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1cccc2c1OCC2)C(=O)[O-] ZINC000625950142 374942565 /nfs/dbraw/zinc/94/25/65/374942565.db2.gz AJQAFACJFDDHJJ-CQSZACIVSA-N -1 0 308.290 -0.488 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000400289844 374906534 /nfs/dbraw/zinc/90/65/34/374906534.db2.gz LANPVHXDHIUZJC-UWVGGRQHSA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@@H]1OCC[C@@]12CN(C(=O)c1cnc([O-])n(C)c1=O)CCO2 ZINC000408298577 374911876 /nfs/dbraw/zinc/91/18/76/374911876.db2.gz PARQVERABVWEJI-LKFCYVNXSA-N -1 0 309.322 -0.494 20 0 DBADRM CCc1cc(=O)[nH]c(CN2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000121181938 375039571 /nfs/dbraw/zinc/03/95/71/375039571.db2.gz WFHJYEVLGPWBMS-JTQLQIEISA-N -1 0 300.384 -0.132 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000375696123 374978393 /nfs/dbraw/zinc/97/83/93/374978393.db2.gz GRZQSXWRAZICLC-RKDXNWHRSA-N -1 0 308.356 -0.479 20 0 DBADRM C[C@@H](O[C@@H](C)C(=O)N1CC(OCC(=O)N(C)C)C1)C(=O)[O-] ZINC000634893149 375069857 /nfs/dbraw/zinc/06/98/57/375069857.db2.gz GRHWKSJJVBKYPG-DTWKUNHWSA-N -1 0 302.327 -0.820 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C[C@@]2(C(=O)[O-])CCOC2)CC1=O ZINC000634892225 375070421 /nfs/dbraw/zinc/07/04/21/375070421.db2.gz LTMBBMHIPNAPCA-LMCGPQHNSA-N -1 0 310.350 -0.007 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000634924529 375077260 /nfs/dbraw/zinc/07/72/60/375077260.db2.gz BZJCDQBLBXLFNM-NXEZZACHSA-N -1 0 307.354 -0.180 20 0 DBADRM O=C([O-])[C@@H](C1CC1)[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000635015761 375082644 /nfs/dbraw/zinc/08/26/44/375082644.db2.gz ILNJRJHHOMOLHF-CQSZACIVSA-N -1 0 311.382 -0.674 20 0 DBADRM O=C([O-])[C@H](C1CC1)[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000635015759 375083782 /nfs/dbraw/zinc/08/37/82/375083782.db2.gz ILNJRJHHOMOLHF-AWEZNQCLSA-N -1 0 311.382 -0.674 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)[C@H]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000634856859 375060704 /nfs/dbraw/zinc/06/07/04/375060704.db2.gz CBRBZRSFYDUZAL-QWRGUYRKSA-N -1 0 318.395 -0.019 20 0 DBADRM CCNC(=O)N1CCN(C(=O)[C@H](C)O[C@H](C)C(=O)[O-])CC1 ZINC000634855267 375061270 /nfs/dbraw/zinc/06/12/70/375061270.db2.gz DBWBBXQOLFDKOW-VHSXEESVSA-N -1 0 301.343 -0.262 20 0 DBADRM CCNC(=O)N1CCN(C(=O)[C@@H](C)O[C@H](C)C(=O)[O-])CC1 ZINC000634855265 375061707 /nfs/dbraw/zinc/06/17/07/375061707.db2.gz DBWBBXQOLFDKOW-NXEZZACHSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC000262254102 375067793 /nfs/dbraw/zinc/06/77/93/375067793.db2.gz SKZKMYURJZXDME-SFYZADRCSA-N -1 0 308.356 -0.985 20 0 DBADRM CC(C)(CCC(=O)[O-])NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000262735345 375133136 /nfs/dbraw/zinc/13/31/36/375133136.db2.gz CZWMIUGPMQZSJR-UHFFFAOYSA-N -1 0 321.399 -0.339 20 0 DBADRM CCN(C)C(=O)[C@@H]1CSCN1C(=O)CCCc1nnn[n-]1 ZINC000635474755 375134147 /nfs/dbraw/zinc/13/41/47/375134147.db2.gz BRBCJLYWVFOVJT-VIFPVBQESA-N -1 0 312.399 -0.098 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000635522865 375137933 /nfs/dbraw/zinc/13/79/33/375137933.db2.gz DUWKIRVJZYFXNV-QWRGUYRKSA-N -1 0 302.327 -0.323 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000635517985 375138112 /nfs/dbraw/zinc/13/81/12/375138112.db2.gz MSDIEOOGGDQGCM-JTNHKYCSSA-N -1 0 316.354 -0.077 20 0 DBADRM CCCN1CCCN(C(=O)NCCOCC(=O)[O-])CC1=O ZINC000635523303 375138300 /nfs/dbraw/zinc/13/83/00/375138300.db2.gz KNQYTUBNWQTBIO-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000635522693 375138343 /nfs/dbraw/zinc/13/83/43/375138343.db2.gz DUWKIRVJZYFXNV-GHMZBOCLSA-N -1 0 302.327 -0.323 20 0 DBADRM CC1CC(NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000080816070 375147558 /nfs/dbraw/zinc/14/75/58/375147558.db2.gz SWPBAILANWQMLB-UHFFFAOYSA-N -1 0 324.362 -0.301 20 0 DBADRM C[C@@H]1C[C@H](C)CN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000088685563 375166321 /nfs/dbraw/zinc/16/63/21/375166321.db2.gz PNSHSGNMUUQZDC-VHSXEESVSA-N -1 0 300.384 -0.045 20 0 DBADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CCNC(=O)CC1 ZINC000600975088 375167157 /nfs/dbraw/zinc/16/71/57/375167157.db2.gz GXQONVIBGJNNAR-UHFFFAOYSA-N -1 0 302.290 -0.008 20 0 DBADRM C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000091555999 375172955 /nfs/dbraw/zinc/17/29/55/375172955.db2.gz WCHYBVHOKPJGOA-NSHDSACASA-N -1 0 322.413 -0.337 20 0 DBADRM NC(=O)c1ccc(N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cc1 ZINC000091579066 375173270 /nfs/dbraw/zinc/17/32/70/375173270.db2.gz UTFWRQXCVLAOQQ-UHFFFAOYSA-N -1 0 302.338 -0.481 20 0 DBADRM CCOc1ccnc(N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000091594705 375173655 /nfs/dbraw/zinc/17/36/55/375173655.db2.gz JWZVVXSWGHRSMO-UHFFFAOYSA-N -1 0 319.369 -0.001 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000390235733 375117240 /nfs/dbraw/zinc/11/72/40/375117240.db2.gz IPGFBAHNKJVSJL-ZJUUUORDSA-N -1 0 321.399 -0.322 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000390235732 375117309 /nfs/dbraw/zinc/11/73/09/375117309.db2.gz IPGFBAHNKJVSJL-VHSXEESVSA-N -1 0 321.399 -0.322 20 0 DBADRM CC[C@@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400101643 375120451 /nfs/dbraw/zinc/12/04/51/375120451.db2.gz BANVOWDORHHZSK-DTWKUNHWSA-N -1 0 307.372 -0.427 20 0 DBADRM COC(=O)c1cn(CCNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])nn1 ZINC000585728240 375243371 /nfs/dbraw/zinc/24/33/71/375243371.db2.gz LLTZYRLDUUWZOW-UWVGGRQHSA-N -1 0 322.321 -0.152 20 0 DBADRM COC(=O)c1cn(CCNC(=O)c2ccc(C(=O)[O-])nc2)nn1 ZINC000585810550 375252063 /nfs/dbraw/zinc/25/20/63/375252063.db2.gz YOAPAASXMGZYLM-UHFFFAOYSA-N -1 0 319.277 -0.412 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC[C@@H]1CN1CCOCC1 ZINC000635617603 375224938 /nfs/dbraw/zinc/22/49/38/375224938.db2.gz HIADEZHZWAVSIJ-GFCCVEGCSA-N -1 0 308.386 -0.154 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C(=O)[O-] ZINC000569847420 375318428 /nfs/dbraw/zinc/31/84/28/375318428.db2.gz VBMZTWGMTSYYGQ-QXEWZRGKSA-N -1 0 323.367 -0.168 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1 ZINC000570208708 375342660 /nfs/dbraw/zinc/34/26/60/375342660.db2.gz YDZTYAADNQOUKJ-SSDOTTSWSA-N -1 0 305.312 -0.856 20 0 DBADRM Cn1[n-]c(C(=O)N2CCN(CC(F)(F)CO)CC2)cc1=O ZINC000636132575 375357173 /nfs/dbraw/zinc/35/71/73/375357173.db2.gz FHTOJICGIGENPW-UHFFFAOYSA-N -1 0 304.297 -0.489 20 0 DBADRM CO[C@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000570448629 375363064 /nfs/dbraw/zinc/36/30/64/375363064.db2.gz NBVCWLIGLXXXLO-UWVGGRQHSA-N -1 0 317.367 -0.019 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)CCCc2nnn[n-]2)C1 ZINC000636226672 375376596 /nfs/dbraw/zinc/37/65/96/375376596.db2.gz AHFOZSVJJGRVKA-JTQLQIEISA-N -1 0 309.374 -0.263 20 0 DBADRM C/C=C\C[C@H](NC(=O)NCCNS(=O)(=O)CC)C(=O)[O-] ZINC000570890288 375400309 /nfs/dbraw/zinc/40/03/09/375400309.db2.gz CICCGBDZNZMJQJ-LVCFMKKZSA-N -1 0 307.372 -0.356 20 0 DBADRM Cc1cc(N2CCC[C@@H](NC(=O)c3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC000570769555 375387598 /nfs/dbraw/zinc/38/75/98/375387598.db2.gz LTJOLGPAVDORDW-SECBINFHSA-N -1 0 305.342 -0.049 20 0 DBADRM CCOC(=O)c1nc(NC(=O)[C@H](CO)NC(=O)C(C)C)c[nH]1 ZINC000589849839 375464123 /nfs/dbraw/zinc/46/41/23/375464123.db2.gz BLJBXLORAOLSCJ-QMMMGPOBSA-N -1 0 312.326 -0.342 20 0 DBADRM C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000110662264 375469857 /nfs/dbraw/zinc/46/98/57/375469857.db2.gz OZSOINMKYRDAMC-ZETCQYMHSA-N -1 0 301.324 -0.768 20 0 DBADRM C[C@H](CNC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000262763923 375470063 /nfs/dbraw/zinc/47/00/63/375470063.db2.gz LHLXFBMXUXPRQF-MRVPVSSYSA-N -1 0 308.290 -0.018 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC000580069830 375428361 /nfs/dbraw/zinc/42/83/61/375428361.db2.gz AXJQPAHJGQOGNT-ZETCQYMHSA-N -1 0 322.364 -0.509 20 0 DBADRM CCN1C[C@@H](NC(=O)N2CC[C@@](COC)(C(=O)[O-])C2)CC1=O ZINC000391496096 375436565 /nfs/dbraw/zinc/43/65/65/375436565.db2.gz GTMHYRILDKXGJB-IINYFYTJSA-N -1 0 313.354 -0.260 20 0 DBADRM CC[C@@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)OC ZINC000313752851 375483824 /nfs/dbraw/zinc/48/38/24/375483824.db2.gz GHBTXJHTFYOHPO-SNVBAGLBSA-N -1 0 322.383 -0.343 20 0 DBADRM O=C([O-])[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1 ZINC000314291868 375494950 /nfs/dbraw/zinc/49/49/50/375494950.db2.gz XQEMLMLAPWKTJJ-LBPRGKRZSA-N -1 0 303.274 -0.109 20 0 DBADRM O=C(N[C@@H]1CCCOCC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000180975409 375529099 /nfs/dbraw/zinc/52/90/99/375529099.db2.gz OOKAAECGZOBHFV-SECBINFHSA-N -1 0 304.306 -0.090 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)CC2([NH+](C)C)CC2)CCOC1 ZINC000601368894 375591658 /nfs/dbraw/zinc/59/16/58/375591658.db2.gz GKZXOFSLTULREE-GFCCVEGCSA-N -1 0 306.384 -0.668 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CCC[C@H](C)[C@H]2C(=O)[O-])CC1 ZINC000318790587 375561729 /nfs/dbraw/zinc/56/17/29/375561729.db2.gz QFOVXMHYPHZRBI-FZMZJTMJSA-N -1 0 311.382 -0.138 20 0 DBADRM COCC(=O)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000108854373 375563838 /nfs/dbraw/zinc/56/38/38/375563838.db2.gz LJQYGMPIFGJULO-UHFFFAOYSA-N -1 0 305.338 -0.687 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000312804249 375575484 /nfs/dbraw/zinc/57/54/84/375575484.db2.gz HKUOSLVUKZQOEC-IUCAKERBSA-N -1 0 307.372 -0.712 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000643151241 375614902 /nfs/dbraw/zinc/61/49/02/375614902.db2.gz NPMMVLDYUSEKOO-GFCCVEGCSA-N -1 0 306.318 -0.077 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000643151242 375615287 /nfs/dbraw/zinc/61/52/87/375615287.db2.gz NPMMVLDYUSEKOO-LBPRGKRZSA-N -1 0 306.318 -0.077 20 0 DBADRM COc1cccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000643151175 375615580 /nfs/dbraw/zinc/61/55/80/375615580.db2.gz AKDIKENQOCEKGD-GFCCVEGCSA-N -1 0 322.317 -0.377 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2cccc(F)c2)CCO1 ZINC000643153311 375623997 /nfs/dbraw/zinc/62/39/97/375623997.db2.gz DCYLZGBSXPIVDB-LLVKDONJSA-N -1 0 310.281 -0.246 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCc2nnnn2C)c1 ZINC000601467975 375625710 /nfs/dbraw/zinc/62/57/10/375625710.db2.gz BUECGSYFLJQWCR-NRFANRHFSA-N -1 0 309.351 -0.357 20 0 DBADRM COC(=O)[C@@H]1CSCCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC000601442314 375612086 /nfs/dbraw/zinc/61/20/86/375612086.db2.gz YQJOPXFMRIMFQS-QMMMGPOBSA-N -1 0 305.381 -0.064 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@@H]1CCCCO1 ZINC000643163771 375649202 /nfs/dbraw/zinc/64/92/02/375649202.db2.gz KPJUHKJMVODXBR-GARJFASQSA-N -1 0 314.338 -0.628 20 0 DBADRM O=C([O-])C[C@H]1COCCN1S(=O)(=O)CC1CCOCC1 ZINC000364401285 375634562 /nfs/dbraw/zinc/63/45/62/375634562.db2.gz SRWUNARNNXJPJN-NSHDSACASA-N -1 0 307.368 -0.082 20 0 DBADRM CCCCOCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643156691 375635693 /nfs/dbraw/zinc/63/56/93/375635693.db2.gz IOQBXPBCJWKHIR-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])CC1 ZINC000054053876 375639782 /nfs/dbraw/zinc/63/97/82/375639782.db2.gz BVSSGBDPXZBOQK-VIFPVBQESA-N -1 0 322.383 -0.089 20 0 DBADRM COc1cccc2c1OC[C@@H](NC(=O)C(=O)NCCC(=O)[O-])C2 ZINC000643160556 375643705 /nfs/dbraw/zinc/64/37/05/375643705.db2.gz RDPDCOFCMSMCOD-JTQLQIEISA-N -1 0 322.317 -0.294 20 0 DBADRM CC[C@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)[C@@H]1CCCO1 ZINC000643168754 375693573 /nfs/dbraw/zinc/69/35/73/375693573.db2.gz BSEKPFQKXCFFLO-DCAQKATOSA-N -1 0 314.338 -0.628 20 0 DBADRM CC[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@H]1CCCO1 ZINC000643168756 375693994 /nfs/dbraw/zinc/69/39/94/375693994.db2.gz BSEKPFQKXCFFLO-HBNTYKKESA-N -1 0 314.338 -0.628 20 0 DBADRM Cn1cc(I)c(CN=c2nn[n-]n2C)n1 ZINC000590725150 375671560 /nfs/dbraw/zinc/67/15/60/375671560.db2.gz LWUXLSYZHLNNKL-UHFFFAOYSA-N -1 0 319.110 -0.418 20 0 DBADRM O=C(CN1CCC[C@H](c2n[n-]c(=O)o2)C1)NC(=O)NC1CC1 ZINC000590736737 375673718 /nfs/dbraw/zinc/67/37/18/375673718.db2.gz YZDARQNTVONCOD-QMMMGPOBSA-N -1 0 309.326 -0.057 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC000616997479 375697747 /nfs/dbraw/zinc/69/77/47/375697747.db2.gz WAYQEXSDVPTSJL-VIFPVBQESA-N -1 0 310.358 -0.817 20 0 DBADRM Cc1cscc1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643169233 375699965 /nfs/dbraw/zinc/69/99/65/375699965.db2.gz GXIFNBYZAUWWGY-JTQLQIEISA-N -1 0 312.347 -0.015 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC000590899785 375699992 /nfs/dbraw/zinc/69/99/92/375699992.db2.gz OVCMQUYFZBWFRO-BQBZGAKWSA-N -1 0 319.339 -0.026 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000591270068 375710423 /nfs/dbraw/zinc/71/04/23/375710423.db2.gz PYDJGDVDCJHWOX-AEJSXWLSSA-N -1 0 300.311 -0.177 20 0 DBADRM CCSCC[C@H](C)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591459231 375716358 /nfs/dbraw/zinc/71/63/58/375716358.db2.gz RXTUHXFAHPVLEA-VHSXEESVSA-N -1 0 318.395 -0.054 20 0 DBADRM CCSCC[C@@H](C)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591459232 375716647 /nfs/dbraw/zinc/71/66/47/375716647.db2.gz RXTUHXFAHPVLEA-ZJUUUORDSA-N -1 0 318.395 -0.054 20 0 DBADRM CSC1(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCC1 ZINC000591457967 375716935 /nfs/dbraw/zinc/71/69/35/375716935.db2.gz PEJOVNBICVPVEU-SECBINFHSA-N -1 0 316.379 -0.300 20 0 DBADRM CSCC[C@H](C)N(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591568504 375717784 /nfs/dbraw/zinc/71/77/84/375717784.db2.gz PKSJUOIONPISQV-VHSXEESVSA-N -1 0 318.395 -0.102 20 0 DBADRM CSC[C@@H]1CCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591568465 375718165 /nfs/dbraw/zinc/71/81/65/375718165.db2.gz HJCASRUDCDWYRW-UWVGGRQHSA-N -1 0 316.379 -0.348 20 0 DBADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000592138323 375780532 /nfs/dbraw/zinc/78/05/32/375780532.db2.gz XQNIGAGLYFGERJ-OOSSNNJISA-N -1 0 312.413 -0.521 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000592138321 375781257 /nfs/dbraw/zinc/78/12/57/375781257.db2.gz XQNIGAGLYFGERJ-SNFQMMDSSA-N -1 0 312.413 -0.521 20 0 DBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)C[C@H](OC)C1CC1)C(=O)OC ZINC000592012215 375766564 /nfs/dbraw/zinc/76/65/64/375766564.db2.gz LATHYFQOSYYGQQ-ZJUUUORDSA-N -1 0 323.367 -0.565 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC[NH2+]C1CC1 ZINC000592367110 375799379 /nfs/dbraw/zinc/79/93/79/375799379.db2.gz UFJHMRXHRVYDCF-UHFFFAOYSA-N -1 0 305.381 -0.040 20 0 DBADRM C[C@@H](CSCCNS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000592449181 375804105 /nfs/dbraw/zinc/80/41/05/375804105.db2.gz RNEWKDXTACAJGX-VIFPVBQESA-N -1 0 312.413 -0.393 20 0 DBADRM CS[C@H](C)CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000592440583 375804307 /nfs/dbraw/zinc/80/43/07/375804307.db2.gz PZSYYNUJSWKXAO-SECBINFHSA-N -1 0 318.395 -0.148 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H](C2CC2)C2CCC2)CCO1 ZINC000643173312 375822548 /nfs/dbraw/zinc/82/25/48/375822548.db2.gz CCKACHHKTOUSPM-RYUDHWBXSA-N -1 0 310.350 -0.007 20 0 DBADRM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000592993028 375841187 /nfs/dbraw/zinc/84/11/87/375841187.db2.gz FSXWLHFLAASHJF-MNOVXSKESA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)C1CCN(C(=O)CN2CCOC[C@@H]2C(=O)[O-])CC1 ZINC000592988851 375841352 /nfs/dbraw/zinc/84/13/52/375841352.db2.gz QUVSWJOWTPEOLJ-LLVKDONJSA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000592993027 375841988 /nfs/dbraw/zinc/84/19/88/375841988.db2.gz FSXWLHFLAASHJF-GHMZBOCLSA-N -1 0 308.290 -0.082 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCOC[C@H]1C(=O)[O-])C(=O)OC ZINC000592988553 375842150 /nfs/dbraw/zinc/84/21/50/375842150.db2.gz IBHCCIWSSWTYSF-NHCYSSNCSA-N -1 0 316.354 -0.524 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)CC1(COC)CCC1 ZINC000593573713 375872493 /nfs/dbraw/zinc/87/24/93/375872493.db2.gz DZJWLPKVZUSHHS-SNVBAGLBSA-N -1 0 309.384 -0.354 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)[C@H](C)NS(C)(=O)=O)[n-]1 ZINC000593901907 375900026 /nfs/dbraw/zinc/90/00/26/375900026.db2.gz XHBUSPPBFICJNA-LURJTMIESA-N -1 0 304.328 -0.537 20 0 DBADRM COC(=O)c1ncccc1S(=O)(=O)NC[C@H](C)C(=O)[O-] ZINC000593945647 375900663 /nfs/dbraw/zinc/90/06/63/375900663.db2.gz VORHZFULNRNONS-ZETCQYMHSA-N -1 0 302.308 -0.133 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000643179778 375902884 /nfs/dbraw/zinc/90/28/84/375902884.db2.gz NKAXNXWCFMXKHF-VIFPVBQESA-N -1 0 319.317 -0.652 20 0 DBADRM CN(C(=O)C(=O)NCc1cccc(C(=O)[O-])c1)C1CC(O)C1 ZINC000643179430 375905523 /nfs/dbraw/zinc/90/55/23/375905523.db2.gz CPZDOMREDWCSJZ-UHFFFAOYSA-N -1 0 306.318 -0.017 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(S(=O)(=O)c2ccccc2[O-])C1 ZINC000594797051 375953145 /nfs/dbraw/zinc/95/31/45/375953145.db2.gz RVNKYNKJXUBACF-VHSXEESVSA-N -1 0 315.347 -0.063 20 0 DBADRM COC(=O)c1sc(C)cc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000594975584 375969864 /nfs/dbraw/zinc/96/98/64/375969864.db2.gz WNDJYSJMMFDXTM-UHFFFAOYSA-N -1 0 324.322 -0.389 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCC[C@@](O)(CO)C1 ZINC000616212045 375971424 /nfs/dbraw/zinc/97/14/24/375971424.db2.gz MBBJMSZCJSLQHC-HNNXBMFYSA-N -1 0 319.317 -0.011 20 0 DBADRM CCOC(=O)c1nc(NC(=O)Cn2nc(C)n(C)c2=O)c[nH]1 ZINC000594351829 375922376 /nfs/dbraw/zinc/92/23/76/375922376.db2.gz LPAQPZUGNUSKLQ-UHFFFAOYSA-N -1 0 308.298 -0.571 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000594536765 375934259 /nfs/dbraw/zinc/93/42/59/375934259.db2.gz FZQSVDLTKNVQII-VIFPVBQESA-N -1 0 302.327 -0.471 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)C[S@@](C)=O)C(=O)[O-] ZINC000594530002 375935876 /nfs/dbraw/zinc/93/58/76/375935876.db2.gz OPQYMWKXZAXCKN-ZUNJMDCASA-N -1 0 306.384 -0.657 20 0 DBADRM COC(=O)[C@H](O)C1CCN(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000594527332 375936130 /nfs/dbraw/zinc/93/61/30/375936130.db2.gz DABRXLVDLYAXAV-WCBMZHEXSA-N -1 0 302.327 -0.337 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000594527331 375936444 /nfs/dbraw/zinc/93/64/44/375936444.db2.gz DABRXLVDLYAXAV-SCZZXKLOSA-N -1 0 302.327 -0.337 20 0 DBADRM COC(=O)CCCS(=O)(=O)NCc1nocc1C(=O)[O-] ZINC000594572292 375937662 /nfs/dbraw/zinc/93/76/62/375937662.db2.gz XHALQLOLGXTPOL-UHFFFAOYSA-N -1 0 306.296 -0.255 20 0 DBADRM CSCCN(CC(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000594681453 375941543 /nfs/dbraw/zinc/94/15/43/375941543.db2.gz OZVHGBYOFQHPPZ-VIFPVBQESA-N -1 0 324.424 -0.025 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000594685405 375941895 /nfs/dbraw/zinc/94/18/95/375941895.db2.gz WAKFZBNAQOCFSF-BXKDBHETSA-N -1 0 321.351 -0.698 20 0 DBADRM CC(C)NS(=O)(=O)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000616206835 375943665 /nfs/dbraw/zinc/94/36/65/375943665.db2.gz SQHQFCPXLLELFZ-UHFFFAOYSA-N -1 0 317.371 -0.884 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)CN(C)Cc1n[n-]c(=O)o1 ZINC000595548262 376015979 /nfs/dbraw/zinc/01/59/79/376015979.db2.gz UWMWYNDCTFSEPM-VIFPVBQESA-N -1 0 314.342 -0.089 20 0 DBADRM CN(CC(=O)NC(=O)NCC(F)(F)F)Cc1n[n-]c(=O)o1 ZINC000595551199 376016149 /nfs/dbraw/zinc/01/61/49/376016149.db2.gz GKAWWFREPOBVOU-UHFFFAOYSA-N -1 0 311.220 -0.405 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN(C)Cc1n[n-]c(=O)o1)C(=O)OC ZINC000595552399 376016345 /nfs/dbraw/zinc/01/63/45/376016345.db2.gz UXGXZAOZSOSFHC-KCJUWKMLSA-N -1 0 314.342 -0.089 20 0 DBADRM COC(=O)CC1(NC(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC000595237950 375984483 /nfs/dbraw/zinc/98/44/83/375984483.db2.gz LJQRSRUSXBYELB-UHFFFAOYSA-N -1 0 321.289 -0.070 20 0 DBADRM CCOC(=O)c1cc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cn1C ZINC000595237306 375984560 /nfs/dbraw/zinc/98/45/60/375984560.db2.gz AHXTWPBHIKHVGP-SSDOTTSWSA-N -1 0 311.294 -0.270 20 0 DBADRM CS[C@@H](C)CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595275525 375989291 /nfs/dbraw/zinc/98/92/91/375989291.db2.gz GRJNTDLLMVOKJO-IGJMFERPSA-N -1 0 316.379 -0.586 20 0 DBADRM COC(=O)CN(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000596724278 376095266 /nfs/dbraw/zinc/09/52/66/376095266.db2.gz MMNZKOHBWOSGCL-UHFFFAOYSA-N -1 0 302.308 -0.715 20 0 DBADRM CCOC(=O)CN(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000596968804 376106055 /nfs/dbraw/zinc/10/60/55/376106055.db2.gz SFXDELBWBHNRCP-UHFFFAOYSA-N -1 0 316.335 -0.325 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000597112513 376112742 /nfs/dbraw/zinc/11/27/42/376112742.db2.gz FVTMDPZJDHMXCU-UHFFFAOYSA-N -1 0 323.261 -0.283 20 0 DBADRM COC(=O)[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000595990724 376064899 /nfs/dbraw/zinc/06/48/99/376064899.db2.gz QOJDXRXPRDJOGB-BBBLOLIVSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC2(CCC2)[C@@H]1C(=O)[O-] ZINC000596034977 376065758 /nfs/dbraw/zinc/06/57/58/376065758.db2.gz PEMDBYKLFCGJNG-JTQLQIEISA-N -1 0 320.367 -0.335 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000596128575 376071928 /nfs/dbraw/zinc/07/19/28/376071928.db2.gz LKCCLZLVEZPMQC-SNVBAGLBSA-N -1 0 314.338 -0.327 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N(C)C[C@H](C)c1nnn[n-]1)C(C)=O ZINC000597504469 376139840 /nfs/dbraw/zinc/13/98/40/376139840.db2.gz KWPCJOVDLMRAFQ-WPRPVWTQSA-N -1 0 311.342 -0.080 20 0 DBADRM COC(=O)C(C)(C)N1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000597531229 376146966 /nfs/dbraw/zinc/14/69/66/376146966.db2.gz ABWRXJYMKBTIHS-UHFFFAOYSA-N -1 0 310.354 -0.165 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000597807258 376181030 /nfs/dbraw/zinc/18/10/30/376181030.db2.gz HJUHGGAAWSPNDN-HTQZYQBOSA-N -1 0 321.289 -0.076 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@@H](C)C(=O)[O-] ZINC000054334093 376211735 /nfs/dbraw/zinc/21/17/35/376211735.db2.gz SWZNXPRMXBLRTH-BDAKNGLRSA-N -1 0 308.356 -0.431 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)cn1C ZINC000054505323 376226615 /nfs/dbraw/zinc/22/66/15/376226615.db2.gz VHAOFCIXORACEV-JTQLQIEISA-N -1 0 315.351 -0.474 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2COC[C@H]2OC)on1 ZINC000599341793 376279943 /nfs/dbraw/zinc/27/99/43/376279943.db2.gz WCJBXFGIDIPYTD-HTQZYQBOSA-N -1 0 306.296 -0.847 20 0 DBADRM COc1ccc(N2C[C@H](C(=O)NCc3nnn[n-]3)CC2=O)cc1 ZINC000599334424 376283080 /nfs/dbraw/zinc/28/30/80/376283080.db2.gz MGGOCSKDQGJBIT-SECBINFHSA-N -1 0 316.321 -0.122 20 0 DBADRM COC(=O)CCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599006816 376235263 /nfs/dbraw/zinc/23/52/63/376235263.db2.gz JPMCIRZRYHPIHV-UHFFFAOYSA-N -1 0 301.324 -0.254 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)OC)C2)on1 ZINC000599350685 376281262 /nfs/dbraw/zinc/28/12/62/376281262.db2.gz XSIXOEVMRKESNY-LJGSYFOKSA-N -1 0 318.307 -0.309 20 0 DBADRM COCc1nsc(=NCCC(=O)NCCC(=O)OC)[n-]1 ZINC000599171393 376252572 /nfs/dbraw/zinc/25/25/72/376252572.db2.gz ZTMZLFZKYTZJCX-UHFFFAOYSA-N -1 0 302.356 -0.412 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC2(O)CCOCC2)on1 ZINC000599245428 376259111 /nfs/dbraw/zinc/25/91/11/376259111.db2.gz UIRYAKVWNRZMJW-UHFFFAOYSA-N -1 0 320.323 -0.719 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)on1 ZINC000599239111 376262158 /nfs/dbraw/zinc/26/21/58/376262158.db2.gz NUDHPAFFPQFAMH-SSDOTTSWSA-N -1 0 317.323 -0.640 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC[C@H](C)[S@@](C)=O)on1 ZINC000599260627 376266520 /nfs/dbraw/zinc/26/65/20/376266520.db2.gz HGAPIDDKURIRAH-ZDVLTJLQSA-N -1 0 324.380 -0.103 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)[C@H](CO)SC)on1 ZINC000599267171 376266922 /nfs/dbraw/zinc/26/69/22/376266922.db2.gz SIJWRRAVFZOHEW-SVRRBLITSA-N -1 0 324.380 -0.148 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2nc[nH]n2)on1 ZINC000599270330 376269168 /nfs/dbraw/zinc/26/91/68/376269168.db2.gz GVRJACZITHOGSO-YFKPBYRVSA-N -1 0 301.284 -0.381 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)CC(F)F)on1 ZINC000599298201 376269818 /nfs/dbraw/zinc/26/98/18/376269818.db2.gz VVELRKZHBAMVOE-RXMQYKEDSA-N -1 0 314.266 -0.244 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)on1 ZINC000599306280 376272298 /nfs/dbraw/zinc/27/22/98/376272298.db2.gz DYUORICSPZARHN-LURJTMIESA-N -1 0 310.259 -0.749 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C2(C(=O)N(C)C)CC2)on1 ZINC000599327163 376282554 /nfs/dbraw/zinc/28/25/54/376282554.db2.gz PGUYTVBWZTUFQF-UHFFFAOYSA-N -1 0 317.323 -0.640 20 0 DBADRM COC(=O)[C@@]1(OC)CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000599561928 376312399 /nfs/dbraw/zinc/31/23/99/376312399.db2.gz DNEINNHZWMAFPJ-CQSZACIVSA-N -1 0 306.322 -0.214 20 0 DBADRM COCc1nc(=NC(=O)Cn2cc(C(=O)OC)cn2)s[n-]1 ZINC000599752286 376333473 /nfs/dbraw/zinc/33/34/73/376333473.db2.gz OPAPRAGPUMFKNT-UHFFFAOYSA-N -1 0 311.323 -0.272 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000599334107 376283244 /nfs/dbraw/zinc/28/32/44/376283244.db2.gz DPWFWAZRPCUQOJ-UHFFFAOYSA-N -1 0 322.350 -0.430 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2COCCC2=O)on1 ZINC000599441702 376294197 /nfs/dbraw/zinc/29/41/97/376294197.db2.gz IEPOZPLJNGMCMD-SSDOTTSWSA-N -1 0 304.280 -0.903 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2COCCN2C)on1 ZINC000599453539 376303899 /nfs/dbraw/zinc/30/38/99/376303899.db2.gz UMCGCLPZVOPYSN-QMMMGPOBSA-N -1 0 319.339 -0.930 20 0 DBADRM C[C@H](S[C@@H](C)C(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000601998483 376402838 /nfs/dbraw/zinc/40/28/38/376402838.db2.gz NANQSTQDXZOPSA-IUCAKERBSA-N -1 0 324.424 -0.315 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCc2nccs2)cn1 ZINC000063134159 376433560 /nfs/dbraw/zinc/43/35/60/376433560.db2.gz HZOPVYXKNIBAFZ-UHFFFAOYSA-N -1 0 316.364 -0.055 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CCOC1 ZINC000603290479 376538590 /nfs/dbraw/zinc/53/85/90/376538590.db2.gz BFRUNUYSIFUHLL-WYFGTUCQSA-N -1 0 305.352 -0.442 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)[C@@H]2CCOC[C@H]2C)CCOC1 ZINC000603293985 376540227 /nfs/dbraw/zinc/54/02/27/376540227.db2.gz NURHHGXQZKOXDM-FOGDFJRCSA-N -1 0 307.368 -0.337 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000603300772 376543628 /nfs/dbraw/zinc/54/36/28/376543628.db2.gz SBURBNKJXBOTAT-IONNQARKSA-N -1 0 301.311 -0.125 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC(C(=O)[O-])C1 ZINC000071173256 376605477 /nfs/dbraw/zinc/60/54/77/376605477.db2.gz TUMIKELPTKDCGB-SECBINFHSA-N -1 0 306.340 -0.725 20 0 DBADRM Cc1c(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)cnn1C ZINC000313925591 376643713 /nfs/dbraw/zinc/64/37/13/376643713.db2.gz XEFLTKUBYUFJDO-SNVBAGLBSA-N -1 0 313.339 -0.434 20 0 DBADRM CCn1cc(S(=O)(=O)NCc2nncn2C)cc1C(=O)[O-] ZINC000038007807 376732952 /nfs/dbraw/zinc/73/29/52/376732952.db2.gz XPAHVJXDKWNNAJ-UHFFFAOYSA-N -1 0 313.339 -0.187 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)c2ccc(C(=O)[O-])cn2)cn1 ZINC000617158213 376726265 /nfs/dbraw/zinc/72/62/65/376726265.db2.gz CIDLPMVNERGQKJ-UHFFFAOYSA-N -1 0 303.278 -0.025 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N(CC(=O)[O-])C1CCCC1 ZINC000040578768 376783588 /nfs/dbraw/zinc/78/35/88/376783588.db2.gz FNNSRSULVOPVFU-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000061217261 376795436 /nfs/dbraw/zinc/79/54/36/376795436.db2.gz PRFBFDSROVTJGN-QMMMGPOBSA-N -1 0 317.367 -0.145 20 0 DBADRM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cnc([O-])n(C)c1=O ZINC000276212268 291651173 /nfs/dbraw/zinc/65/11/73/291651173.db2.gz HTOYXXUNYZQTLE-YWVKMMECSA-N -1 0 321.333 -0.100 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](C)C(=O)[O-])o1 ZINC000262325284 376805850 /nfs/dbraw/zinc/80/58/50/376805850.db2.gz SYOOZVQGCWYCHY-ZETCQYMHSA-N -1 0 304.324 -0.020 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1C(N)=O ZINC000062924725 376809068 /nfs/dbraw/zinc/80/90/68/376809068.db2.gz SXNDOIHVTNUGSH-GFCCVEGCSA-N -1 0 315.351 -0.391 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000262380186 376846294 /nfs/dbraw/zinc/84/62/94/376846294.db2.gz IHCNVTKLHMSMTN-UWVGGRQHSA-N -1 0 304.368 -0.457 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000262382237 376850228 /nfs/dbraw/zinc/85/02/28/376850228.db2.gz YUCHXRWQEOZNNO-NSHDSACASA-N -1 0 310.281 -0.133 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000262399117 376877213 /nfs/dbraw/zinc/87/72/13/376877213.db2.gz LZBDNHIONSJTEQ-RKDXNWHRSA-N -1 0 322.408 -0.798 20 0 DBADRM CN1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C1=O ZINC000230952856 376880697 /nfs/dbraw/zinc/88/06/97/376880697.db2.gz IVBVPKBQQGPZAF-SSDOTTSWSA-N -1 0 304.349 -0.045 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000262498409 376975034 /nfs/dbraw/zinc/97/50/34/376975034.db2.gz HPQCOOUXFOKSMK-LURJTMIESA-N -1 0 302.308 -0.455 20 0 DBADRM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CC(=O)[O-] ZINC000262439785 376929473 /nfs/dbraw/zinc/92/94/73/376929473.db2.gz NTGCABCEOMHABK-ZETCQYMHSA-N -1 0 306.365 -0.042 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CNC(=O)Cc1ccccc1 ZINC000262474849 376944182 /nfs/dbraw/zinc/94/41/82/376944182.db2.gz UVYYGWORFCALBU-UHFFFAOYSA-N -1 0 308.334 -0.095 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC(=O)NC2)c(C)o1 ZINC000339046235 377015460 /nfs/dbraw/zinc/01/54/60/377015460.db2.gz ZFLMEUVZXGAENR-QMMMGPOBSA-N -1 0 316.335 -0.068 20 0 DBADRM COCCOCCS(=O)(=O)[N-]c1ccn(CC(=O)OC)n1 ZINC000339075258 377018686 /nfs/dbraw/zinc/01/86/86/377018686.db2.gz VLMBAUXCYZQUDG-UHFFFAOYSA-N -1 0 321.355 -0.539 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N(C)CC(=O)[O-] ZINC000262504011 376986148 /nfs/dbraw/zinc/98/61/48/376986148.db2.gz ZBDFJNGNYDDZFK-SSDOTTSWSA-N -1 0 319.339 -0.499 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)[C@H](C)NS(C)(=O)=O)s[n-]1 ZINC000338927040 376993396 /nfs/dbraw/zinc/99/33/96/376993396.db2.gz VMRXNMLPVBIKQS-WDSKDSINSA-N -1 0 308.385 -0.456 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)CC[C@@H]2CCOC2)CCOC1 ZINC000338928275 376993540 /nfs/dbraw/zinc/99/35/40/376993540.db2.gz FUSZSMPZTZYQRR-CMPLNLGQSA-N -1 0 307.368 -0.336 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)[C@H](O)Cc2cnn(C)c2)s[n-]1 ZINC000338931046 376997053 /nfs/dbraw/zinc/99/70/53/376997053.db2.gz YNZXVICWMIWYPT-IONNQARKSA-N -1 0 311.367 -0.057 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000037739525 182921783 /nfs/dbraw/zinc/92/17/83/182921783.db2.gz RAELVRLIGDLRFX-UHFFFAOYSA-N -1 0 307.349 -0.292 20 0 DBADRM Cn1cc(S(=O)(=O)NCCS(C)(=O)=O)cc1C(=O)[O-] ZINC000037739529 182921904 /nfs/dbraw/zinc/92/19/04/182921904.db2.gz QHAIFQPKOWANGY-UHFFFAOYSA-N -1 0 310.353 -0.954 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NCC(=O)[O-])ccc1OC ZINC000262612533 377065727 /nfs/dbraw/zinc/06/57/27/377065727.db2.gz LJTJKBHGVQQXBI-UHFFFAOYSA-N -1 0 302.308 -0.582 20 0 DBADRM CC(C)[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000262880410 377101767 /nfs/dbraw/zinc/10/17/67/377101767.db2.gz LGYCYLSFXWQTHF-VIFPVBQESA-N -1 0 307.372 -0.873 20 0 DBADRM O=C(CN1CC(=O)NC1=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000262910658 377101825 /nfs/dbraw/zinc/10/18/25/377101825.db2.gz RZYLFFOXXVWRLS-SNVBAGLBSA-N -1 0 305.290 -0.650 20 0 DBADRM O=C(CN1CC(=O)NC1=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000262910657 377102266 /nfs/dbraw/zinc/10/22/66/377102266.db2.gz RZYLFFOXXVWRLS-JTQLQIEISA-N -1 0 305.290 -0.650 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000262934208 377107222 /nfs/dbraw/zinc/10/72/22/377107222.db2.gz YEIBTBBSAUHCNJ-YUMQZZPRSA-N -1 0 318.355 -0.982 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCNS(=O)(=O)c1ccccc1 ZINC000263152370 377131585 /nfs/dbraw/zinc/13/15/85/377131585.db2.gz XDBHPFFISVHKJF-UHFFFAOYSA-N -1 0 300.336 -0.102 20 0 DBADRM O=C([O-])C1(NC(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000263175398 377145724 /nfs/dbraw/zinc/14/57/24/377145724.db2.gz SREPMXODQTVOCO-UHFFFAOYSA-N -1 0 304.349 -0.240 20 0 DBADRM CC(=O)NCCN(C(=O)c1c[nH]cc(C)c1=O)[C@@H](C)C(=O)[O-] ZINC000571208221 377161659 /nfs/dbraw/zinc/16/16/59/377161659.db2.gz KZEKGKUJDQGWIX-VIFPVBQESA-N -1 0 309.322 -0.265 20 0 DBADRM O=C(C[C@@H]1NC(=O)NC1=O)NCCCNC(=O)c1cccs1 ZINC000339980609 377173056 /nfs/dbraw/zinc/17/30/56/377173056.db2.gz ICQUPDVGHIGLRD-QMMMGPOBSA-N -1 0 324.362 -0.418 20 0 DBADRM CCC[C@@H](NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-] ZINC000262161300 377266758 /nfs/dbraw/zinc/26/67/58/377266758.db2.gz PEGOHSKWETVADV-SNVBAGLBSA-N -1 0 301.343 -0.612 20 0 DBADRM COC[C@@](C)(NC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)[O-] ZINC000262223703 377267632 /nfs/dbraw/zinc/26/76/32/377267632.db2.gz UFRPPNVOZFTFCI-OAHLLOKOSA-N -1 0 321.333 -0.054 20 0 DBADRM CCN(CC(=O)[O-])C(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000038015793 182964290 /nfs/dbraw/zinc/96/42/90/182964290.db2.gz VFFXJHXXEXVTFK-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000571445375 377225776 /nfs/dbraw/zinc/22/57/76/377225776.db2.gz LKLCZJVHRGMLPC-JTQLQIEISA-N -1 0 311.338 -0.763 20 0 DBADRM COC[C@](C)(NC(=O)CNC(=O)NCc1ccco1)C(=O)[O-] ZINC000262212619 377267964 /nfs/dbraw/zinc/26/79/64/377267964.db2.gz SFRGDVRTQXNGJT-ZDUSSCGKSA-N -1 0 313.310 -0.315 20 0 DBADRM COC(=O)c1cn(CC(=O)NC[C@H](CC(C)C)C(=O)[O-])nn1 ZINC000571566747 377253507 /nfs/dbraw/zinc/25/35/07/377253507.db2.gz WGCYBELKVDRZQF-VIFPVBQESA-N -1 0 312.326 -0.072 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1cccs1 ZINC000263295806 377257187 /nfs/dbraw/zinc/25/71/87/377257187.db2.gz MHZRWWUNXOGEFY-ZETCQYMHSA-N -1 0 306.365 -0.042 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000261714423 377258764 /nfs/dbraw/zinc/25/87/64/377258764.db2.gz PYXWZCHSCCKBLK-IUCAKERBSA-N -1 0 303.340 -0.062 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000263302090 377258836 /nfs/dbraw/zinc/25/88/36/377258836.db2.gz NOPVKQSTVKJVCA-SECBINFHSA-N -1 0 307.368 -0.098 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000261652121 377259617 /nfs/dbraw/zinc/25/96/17/377259617.db2.gz HVDNXTHZOOSBKO-SSDOTTSWSA-N -1 0 313.335 -0.372 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000261662081 377259849 /nfs/dbraw/zinc/25/98/49/377259849.db2.gz JGQNQPNQSHXDLN-UHFFFAOYSA-N -1 0 305.312 -0.318 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000261742179 377261461 /nfs/dbraw/zinc/26/14/61/377261461.db2.gz UYXNYLNZVHGSQC-LURJTMIESA-N -1 0 305.312 -0.320 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N(C)[C@H](C)C(=O)[O-] ZINC000261742180 377261508 /nfs/dbraw/zinc/26/15/08/377261508.db2.gz UYXNYLNZVHGSQC-ZCFIWIBFSA-N -1 0 305.312 -0.320 20 0 DBADRM O=C([O-])[C@]1(NC(=O)Cc2ccc(-n3cnnn3)cc2)CCOC1 ZINC000262057941 377264939 /nfs/dbraw/zinc/26/49/39/377264939.db2.gz GOKSIULBSAWTHY-AWEZNQCLSA-N -1 0 317.305 -0.435 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000268065198 377340092 /nfs/dbraw/zinc/34/00/92/377340092.db2.gz AOVMJOJAFGPPME-NSHDSACASA-N -1 0 318.355 -0.727 20 0 DBADRM CC(C)[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)N1CCOCC1 ZINC000267697810 377337735 /nfs/dbraw/zinc/33/77/35/377337735.db2.gz PQFWSKSSPXQULG-GFCCVEGCSA-N -1 0 324.381 -0.428 20 0 DBADRM C[C@H](NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)C(=O)[O-] ZINC000262706619 377278461 /nfs/dbraw/zinc/27/84/61/377278461.db2.gz NCMVJFOJIPEEHC-ZETCQYMHSA-N -1 0 311.319 -0.059 20 0 DBADRM CO[C@H](CNC(=O)CN1C(=O)COc2ccccc21)C(=O)[O-] ZINC000263039643 377281315 /nfs/dbraw/zinc/28/13/15/377281315.db2.gz DKJFIQOFDGIJPX-LLVKDONJSA-N -1 0 308.290 -0.372 20 0 DBADRM CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](OC)C(=O)[O-] ZINC000263136447 377283280 /nfs/dbraw/zinc/28/32/80/377283280.db2.gz UIWGTTKAHZKFGH-BDAKNGLRSA-N -1 0 304.368 -0.096 20 0 DBADRM CCC[C@H](NC(=O)c1ccc(S(=O)(=O)NC)nc1)C(=O)[O-] ZINC000263386395 377284115 /nfs/dbraw/zinc/28/41/15/377284115.db2.gz CQPNIKSMWYAQPL-VIFPVBQESA-N -1 0 315.351 -0.027 20 0 DBADRM Cn1cc([C@@H]2CN(S(=O)(=O)CCCC(=O)[O-])CCO2)cn1 ZINC000571637963 377284635 /nfs/dbraw/zinc/28/46/35/377284635.db2.gz ADYCIECCFKGPOB-NSHDSACASA-N -1 0 317.367 -0.012 20 0 DBADRM COC(=O)[C@@H](C)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000263678902 377289854 /nfs/dbraw/zinc/28/98/54/377289854.db2.gz GMQSDEUYGNQDMJ-LURJTMIESA-N -1 0 306.278 -0.025 20 0 DBADRM COCc1cccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000263860161 377295402 /nfs/dbraw/zinc/29/54/02/377295402.db2.gz SAZJIQVPFHPALH-UHFFFAOYSA-N -1 0 316.335 -0.688 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000268065197 377339641 /nfs/dbraw/zinc/33/96/41/377339641.db2.gz AOVMJOJAFGPPME-LLVKDONJSA-N -1 0 318.355 -0.727 20 0 DBADRM COCCNC(=O)CNS(=O)(=O)c1cccc2nonc21 ZINC000268849944 377376200 /nfs/dbraw/zinc/37/62/00/377376200.db2.gz JWLHXEVFKFLOFJ-UHFFFAOYSA-N -1 0 314.323 -0.736 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000268934189 377377766 /nfs/dbraw/zinc/37/77/66/377377766.db2.gz FJENKSKBBBBSHC-AATRIKPKSA-N -1 0 309.322 -0.580 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000268995080 377378334 /nfs/dbraw/zinc/37/83/34/377378334.db2.gz VHGUBWGVSXKJEO-IUPBQIPNSA-N -1 0 323.349 -0.287 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000268918783 377379420 /nfs/dbraw/zinc/37/94/20/377379420.db2.gz RIPRKSUREPEALR-WDEREUQCSA-N -1 0 323.349 -1.000 20 0 DBADRM C[C@@H](CO)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269763681 377422192 /nfs/dbraw/zinc/42/21/92/377422192.db2.gz DOTGFENMQIGIGN-ZCFIWIBFSA-N -1 0 314.323 -0.657 20 0 DBADRM COC[C@@H](O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000269596254 377408883 /nfs/dbraw/zinc/40/88/83/377408883.db2.gz ZKDFOGAJTRHFDQ-ZETCQYMHSA-N -1 0 308.294 -0.518 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000271394184 377494530 /nfs/dbraw/zinc/49/45/30/377494530.db2.gz LQVNYZFYQMBMAZ-CYBMUJFWSA-N -1 0 311.313 -0.268 20 0 DBADRM CCc1cccnc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000271958944 377512131 /nfs/dbraw/zinc/51/21/31/377512131.db2.gz QSTUQWOEBVVYLO-UHFFFAOYSA-N -1 0 324.362 -0.158 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])nc1Cl ZINC000275161434 377531677 /nfs/dbraw/zinc/53/16/77/377531677.db2.gz UBRHKDVZPHTGAH-ZCFIWIBFSA-N -1 0 309.731 -0.452 20 0 DBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1nnnn1C ZINC000276710353 377569035 /nfs/dbraw/zinc/56/90/35/377569035.db2.gz RCFXDUPMYNPQTP-UHFFFAOYSA-N -1 0 316.325 -0.978 20 0 DBADRM CC(C)[C@H](C(=O)N(C)[C@@H](C)C(=O)[O-])N1CCCS1(=O)=O ZINC000263559890 377573669 /nfs/dbraw/zinc/57/36/69/377573669.db2.gz BFOZHBAXLIDHBM-VHSXEESVSA-N -1 0 306.384 -0.022 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cc1 ZINC000276936972 377579364 /nfs/dbraw/zinc/57/93/64/377579364.db2.gz BJUSJCSVQOZFLF-UHFFFAOYSA-N -1 0 312.351 -0.160 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cncnc1-n1cccn1 ZINC000278638154 377626799 /nfs/dbraw/zinc/62/67/99/377626799.db2.gz UYZAPMLXDSENQK-VIFPVBQESA-N -1 0 324.366 -0.119 20 0 DBADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000279196856 377645766 /nfs/dbraw/zinc/64/57/66/377645766.db2.gz FMMUFEFVOOKVNI-NSHDSACASA-N -1 0 310.331 -0.180 20 0 DBADRM CC(C)(O)CO[N-]C(=O)CNS(=O)(=O)c1cccs1 ZINC000279247395 377648585 /nfs/dbraw/zinc/64/85/85/377648585.db2.gz SLRZDJPMQDRHIT-UHFFFAOYSA-N -1 0 308.381 -0.155 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCC1CC1 ZINC000333576689 304208794 /nfs/dbraw/zinc/20/87/94/304208794.db2.gz NEJLRZUJUGCMPA-MRVPVSSYSA-N -1 0 316.339 -0.618 20 0 DBADRM Cc1cc2c(cc1S(=O)(=O)NCC[C@H](O)C(=O)[O-])OCO2 ZINC000280010291 377673107 /nfs/dbraw/zinc/67/31/07/377673107.db2.gz NTAKESFNPJLQRZ-QMMMGPOBSA-N -1 0 317.319 -0.162 20 0 DBADRM CC(C)(C)OC(=O)NCCC(=O)NCCc1nc(=O)o[n-]1 ZINC000280018693 377673619 /nfs/dbraw/zinc/67/36/19/377673619.db2.gz DEDTUCHSLCBMPI-UHFFFAOYSA-N -1 0 300.315 -0.064 20 0 DBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)cn1 ZINC000280000796 377673735 /nfs/dbraw/zinc/67/37/35/377673735.db2.gz MRVIENLAEKSLMV-UHFFFAOYSA-N -1 0 320.348 -0.810 20 0 DBADRM C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCc1nc(=O)o[n-]1)CS2 ZINC000279999988 377674446 /nfs/dbraw/zinc/67/44/46/377674446.db2.gz BNPPXQSBQXVZMS-JMCQJSRRSA-N -1 0 312.351 -0.524 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000280139868 377678783 /nfs/dbraw/zinc/67/87/83/377678783.db2.gz QDYCFDUCTDNKSX-JTQLQIEISA-N -1 0 303.278 -0.390 20 0 DBADRM Cn1nc(Br)cc1C(=O)NCCc1nc(=O)o[n-]1 ZINC000280111216 377679037 /nfs/dbraw/zinc/67/90/37/377679037.db2.gz NMDOFFVVMJVSAY-UHFFFAOYSA-N -1 0 316.115 -0.169 20 0 DBADRM O=C(CNC(=O)COc1ccccc1)NCCc1nc(=O)o[n-]1 ZINC000280254646 377684287 /nfs/dbraw/zinc/68/42/87/377684287.db2.gz ZOSZGUCENITPMD-UHFFFAOYSA-N -1 0 320.305 -0.783 20 0 DBADRM O=C([O-])c1cccc(CCNS(=O)(=O)N2CCOCC2)n1 ZINC000281778891 377750202 /nfs/dbraw/zinc/75/02/02/377750202.db2.gz HCMLHRKEXOZNCX-UHFFFAOYSA-N -1 0 315.351 -0.511 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-] ZINC000281930587 377756545 /nfs/dbraw/zinc/75/65/45/377756545.db2.gz QYUOMIIOEDRBGA-SNVBAGLBSA-N -1 0 304.324 -0.142 20 0 DBADRM Cc1cc(NC(=O)CN2[C@H](C)C(=O)N(C)S2(=O)=O)n(C)n1 ZINC000283107879 377810782 /nfs/dbraw/zinc/81/07/82/377810782.db2.gz RSXXXLKEWRZFHR-MRVPVSSYSA-N -1 0 315.355 -0.926 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)S(=O)(=O)c1ncc[n-]1 ZINC000283232101 377819455 /nfs/dbraw/zinc/81/94/55/377819455.db2.gz CGLMRQBWABIZML-BDAKNGLRSA-N -1 0 314.367 -0.704 20 0 DBADRM O=C(CNS(=O)(=O)c1cccnc1)[N-]O[C@@H]1CCCCO1 ZINC000289671499 377885234 /nfs/dbraw/zinc/88/52/34/377885234.db2.gz DZNJLKNCNFWUBL-GFCCVEGCSA-N -1 0 315.351 -0.066 20 0 DBADRM O=C(CNS(=O)(=O)c1ccccc1F)NC[C@@H](O)C1CC1 ZINC000291243501 377923613 /nfs/dbraw/zinc/92/36/13/377923613.db2.gz JNQLMHNZVACIEE-LLVKDONJSA-N -1 0 316.354 -0.009 20 0 DBADRM CO[C@H]1COC[C@@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000291452627 377927386 /nfs/dbraw/zinc/92/73/86/377927386.db2.gz ODBAVUQSOXWOTE-IUCAKERBSA-N -1 0 320.305 -0.112 20 0 DBADRM COCC[C@H](NC(=O)CNC(=O)c1cccc(O)c1)C(=O)OC ZINC000291677619 377930808 /nfs/dbraw/zinc/93/08/08/377930808.db2.gz ZALFLRGTGQRKSZ-LBPRGKRZSA-N -1 0 324.333 -0.184 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)N(C)[C@H](C)CO ZINC000291653324 377931211 /nfs/dbraw/zinc/93/12/11/377931211.db2.gz UUEPTNFRTDHBBM-SSDOTTSWSA-N -1 0 305.356 -0.591 20 0 DBADRM CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1cnn(C)c1C ZINC000291910582 377939234 /nfs/dbraw/zinc/93/92/34/377939234.db2.gz SEVKXXFQGKMRBR-UHFFFAOYSA-N -1 0 312.355 -0.080 20 0 DBADRM COC(=O)[C@@H](CNS(=O)(=O)c1csc(C(=O)[O-])c1)OC ZINC000291958000 377939704 /nfs/dbraw/zinc/93/97/04/377939704.db2.gz RDQXUPZJPXPOFF-SSDOTTSWSA-N -1 0 323.348 -0.087 20 0 DBADRM COC(=O)[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])oc1C)OC ZINC000291958071 377940744 /nfs/dbraw/zinc/94/07/44/377940744.db2.gz REKXCTXOZUAENR-QMMMGPOBSA-N -1 0 321.307 -0.247 20 0 DBADRM CNC(=O)OC[C@@H]1CCCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000292569206 377954550 /nfs/dbraw/zinc/95/45/50/377954550.db2.gz IOMSENHOINLJNA-VIFPVBQESA-N -1 0 324.337 -0.163 20 0 DBADRM O=C(CNS(=O)(=O)c1cccnc1)[N-]OC[C@H]1CCOC1 ZINC000290730649 377911531 /nfs/dbraw/zinc/91/15/31/377911531.db2.gz LZUNZKPOHZWYFI-JTQLQIEISA-N -1 0 315.351 -0.556 20 0 DBADRM CCc1c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccn1C ZINC000292984696 377962905 /nfs/dbraw/zinc/96/29/05/377962905.db2.gz RSZWGUWSCFDVOI-UHFFFAOYSA-N -1 0 301.368 -0.217 20 0 DBADRM CCCNS(=O)(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000293479142 377972470 /nfs/dbraw/zinc/97/24/70/377972470.db2.gz QMUAPHFKCMCDFI-SNVBAGLBSA-N -1 0 315.399 -0.251 20 0 DBADRM CCNC(=O)NCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000294005981 377982925 /nfs/dbraw/zinc/98/29/25/377982925.db2.gz LIVYNBHEXOZXCX-UHFFFAOYSA-N -1 0 320.309 -0.515 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)CSCC(=O)N1CCOCC1 ZINC000044614884 377988311 /nfs/dbraw/zinc/98/83/11/377988311.db2.gz JOHOOUBMDUUGPM-SNVBAGLBSA-N -1 0 318.395 -0.100 20 0 DBADRM C[C@H](c1ccccc1)[C@H](NC(=O)CN1CC(=O)NC1=O)C(N)=O ZINC000294455403 377991414 /nfs/dbraw/zinc/99/14/14/377991414.db2.gz ZZJQVWIHBPGBQP-RNCFNFMXSA-N -1 0 318.333 -0.688 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000263577033 377995344 /nfs/dbraw/zinc/99/53/44/377995344.db2.gz RAXWHSMYDXWCEE-NSHDSACASA-N -1 0 314.363 -0.262 20 0 DBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ncn(C)n1 ZINC000294680995 377998410 /nfs/dbraw/zinc/99/84/10/377998410.db2.gz SXDUOBIXSCIWTH-UHFFFAOYSA-N -1 0 301.310 -0.051 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2CCCO2)c1 ZINC000617407377 378044494 /nfs/dbraw/zinc/04/44/94/378044494.db2.gz HUUAUEUKBHUBOY-QMMMGPOBSA-N -1 0 300.336 -0.052 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C1COCCOC1 ZINC000383272304 378065663 /nfs/dbraw/zinc/06/56/63/378065663.db2.gz GJFICOHXLBTNKD-UHFFFAOYSA-N -1 0 322.364 -0.377 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000343012594 378135822 /nfs/dbraw/zinc/13/58/22/378135822.db2.gz LTEWRSXVJPDHPS-UHFFFAOYSA-N -1 0 304.328 -0.264 20 0 DBADRM CO[C@H](CNS(=O)(=O)CCOC(F)(F)F)CC(=O)[O-] ZINC000582154095 378147632 /nfs/dbraw/zinc/14/76/32/378147632.db2.gz BJNHQFQBCJHGAA-LURJTMIESA-N -1 0 309.262 -0.068 20 0 DBADRM CC(C)(C)C(=O)Nc1nccnc1C(=O)NCc1nnn[n-]1 ZINC000608132603 378299409 /nfs/dbraw/zinc/29/94/09/378299409.db2.gz JQQXSRFAQVBOTB-UHFFFAOYSA-N -1 0 304.314 -0.096 20 0 DBADRM O=C(CN1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)N1CCCC1 ZINC000091538420 378316828 /nfs/dbraw/zinc/31/68/28/378316828.db2.gz DMYIRPAVCNVDKZ-UHFFFAOYSA-N -1 0 308.386 -0.772 20 0 DBADRM O=C(CN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)N1CCCCC1 ZINC000092616723 378322742 /nfs/dbraw/zinc/32/27/42/378322742.db2.gz PBKOLPGNUHKNPC-UHFFFAOYSA-N -1 0 308.386 -0.772 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H](O)C1CC1 ZINC000134708894 378330068 /nfs/dbraw/zinc/33/00/68/378330068.db2.gz BAJWGZLYSAHAFR-SSDOTTSWSA-N -1 0 306.365 -0.021 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H](O)C1CC1 ZINC000134708880 378330223 /nfs/dbraw/zinc/33/02/23/378330223.db2.gz BAJWGZLYSAHAFR-ZETCQYMHSA-N -1 0 306.365 -0.021 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000399106401 378407615 /nfs/dbraw/zinc/40/76/15/378407615.db2.gz WBNZHXJMBKUWHG-UWVGGRQHSA-N -1 0 309.322 -0.884 20 0 DBADRM COCc1ccccc1CS(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000583518370 378410086 /nfs/dbraw/zinc/41/00/86/378410086.db2.gz JPWBYKKLMVHSOV-LLVKDONJSA-N -1 0 303.336 -0.302 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000530149262 378444145 /nfs/dbraw/zinc/44/41/45/378444145.db2.gz DTBKTOLXNPFXNM-NSHDSACASA-N -1 0 303.340 -0.109 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)CNC(=O)C2CC2)cc1 ZINC000532253914 378449027 /nfs/dbraw/zinc/44/90/27/378449027.db2.gz RRWNRAAUQJIZIZ-UHFFFAOYSA-N -1 0 319.317 -0.034 20 0 DBADRM C[C@@]1(NS(=O)(=O)c2cc(C(=O)[O-])co2)CCS(=O)(=O)C1 ZINC000583562775 378417338 /nfs/dbraw/zinc/41/73/38/378417338.db2.gz LLNPWIZSPHSUKX-SNVBAGLBSA-N -1 0 323.348 -0.167 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-] ZINC000583567585 378418591 /nfs/dbraw/zinc/41/85/91/378418591.db2.gz DOCAGHGHDIUYPB-BDAKNGLRSA-N -1 0 311.356 -0.405 20 0 DBADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000329270169 378471500 /nfs/dbraw/zinc/47/15/00/378471500.db2.gz HFRAJMHQGLGGJM-WJISLZRHSA-N -1 0 304.397 -0.030 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000536566192 378439786 /nfs/dbraw/zinc/43/97/86/378439786.db2.gz WKKORMSAOIWXET-SNVBAGLBSA-N -1 0 315.351 -0.046 20 0 DBADRM O=C1[C@H](NS(=O)(=O)N2CCOCC2)CN1c1ccccc1 ZINC000329350770 378477506 /nfs/dbraw/zinc/47/75/06/378477506.db2.gz WYHFXTJSBFEXHS-GFCCVEGCSA-N -1 0 311.363 -0.432 20 0 DBADRM CN1C(=O)N[C@@]2(CCN(C(=O)c3ccc4n[nH]nc4c3)C2)C1=O ZINC000329365213 378477553 /nfs/dbraw/zinc/47/75/53/378477553.db2.gz ICUGIFQBSHYJPK-CQSZACIVSA-N -1 0 314.305 -0.071 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCOCC3)cc-2c(=O)[n-]1 ZINC000330174135 378526473 /nfs/dbraw/zinc/52/64/73/378526473.db2.gz HXFRVNGVKPDFQW-UHFFFAOYSA-N -1 0 312.307 -0.543 20 0 DBADRM CC(C)CN1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1=O ZINC000329517588 378488538 /nfs/dbraw/zinc/48/85/38/378488538.db2.gz PLTNBVUONCSXOR-UHFFFAOYSA-N -1 0 313.383 -0.071 20 0 DBADRM COC(=O)[C@H](CNC(=O)c1n[nH]c(=O)[n-]1)Cc1ccc(O)cc1 ZINC000609599497 378494386 /nfs/dbraw/zinc/49/43/86/378494386.db2.gz XIAVKJLANVJVNF-VIFPVBQESA-N -1 0 320.305 -0.022 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC(=O)N(C2CC2)C1 ZINC000329845759 378509975 /nfs/dbraw/zinc/50/99/75/378509975.db2.gz LYQKSKQXJMKIJE-UHFFFAOYSA-N -1 0 315.289 -0.160 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC/C=C\CO)c1 ZINC000617685331 378553086 /nfs/dbraw/zinc/55/30/86/378553086.db2.gz NQTDHQHEKQJQHG-ARJAWSKDSA-N -1 0 314.363 -0.079 20 0 DBADRM O=C(NC[C@@]1(OCCO)CCOC1)c1cc(F)cc2n[nH]nc21 ZINC000617707905 378555546 /nfs/dbraw/zinc/55/55/46/378555546.db2.gz VMGLNRMVXCOWCI-AWEZNQCLSA-N -1 0 324.312 -0.005 20 0 DBADRM C[C@@H]1CN(CCNC(=O)CSc2n[nH]c(=O)[n-]2)[C@H](C)CO1 ZINC000617726228 378562924 /nfs/dbraw/zinc/56/29/24/378562924.db2.gz UMQCECADWCPGOF-RKDXNWHRSA-N -1 0 315.399 -0.172 20 0 DBADRM C[C@H]1CN(CCNC(=O)c2cnc([O-])n(C)c2=O)[C@@H](C)CO1 ZINC000617731221 378564339 /nfs/dbraw/zinc/56/43/39/378564339.db2.gz XACXQVXZJAQYCX-UWVGGRQHSA-N -1 0 310.354 -0.675 20 0 DBADRM COC(=O)c1cccc(NC(=O)C(=O)NCc2nnn[n-]2)c1C ZINC000609952946 378623418 /nfs/dbraw/zinc/62/34/18/378623418.db2.gz HSPCMTMDVXFGTB-UHFFFAOYSA-N -1 0 318.293 -0.450 20 0 DBADRM COc1ncc([N-]S(=O)(=O)c2cnn(C)c2)cc1C(N)=O ZINC000353822389 378687039 /nfs/dbraw/zinc/68/70/39/378687039.db2.gz FAZQTURLKMCRJX-UHFFFAOYSA-N -1 0 311.323 -0.277 20 0 DBADRM CCN(CC)C(=O)[C@@H](C)S(=O)(=O)c1nc(COC)n[n-]1 ZINC000353896975 378691886 /nfs/dbraw/zinc/69/18/86/378691886.db2.gz QPWWYWRYVZEPRV-MRVPVSSYSA-N -1 0 304.372 -0.018 20 0 DBADRM Cc1[nH]nc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c1C(N)=O ZINC000354560759 378738212 /nfs/dbraw/zinc/73/82/12/378738212.db2.gz FEYURWPESBRPAY-UHFFFAOYSA-N -1 0 323.334 -0.283 20 0 DBADRM CCNC(=O)[C@H](NC(=O)c1c[n-]n2c1nccc2=O)C(C)C ZINC000354308246 378724709 /nfs/dbraw/zinc/72/47/09/378724709.db2.gz MTADIZLUIRWBLN-LLVKDONJSA-N -1 0 305.338 -0.087 20 0 DBADRM CC(C)(NC(=O)Cn1cnc2ccccc2c1=O)c1nnn[n-]1 ZINC000354807339 378768045 /nfs/dbraw/zinc/76/80/45/378768045.db2.gz VNKRAJXFUFDRPN-UHFFFAOYSA-N -1 0 313.321 -0.039 20 0 DBADRM NC(=O)[C@@]1(O)CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000355073137 378782685 /nfs/dbraw/zinc/78/26/85/378782685.db2.gz TYUDAPLXWMPIPR-OAHLLOKOSA-N -1 0 316.317 -0.360 20 0 DBADRM Cn1cc(S(=O)(=O)NC2(CC(N)=O)CCC2)cc1C(=O)[O-] ZINC000355456336 378816574 /nfs/dbraw/zinc/81/65/74/378816574.db2.gz NTMKCTWEQFFQPC-UHFFFAOYSA-N -1 0 315.351 -0.200 20 0 DBADRM COC(=O)Cn1ncc([N-]S(=O)(=O)c2cnn(C)c2)c1C ZINC000355893832 378843890 /nfs/dbraw/zinc/84/38/90/378843890.db2.gz XAQWTVUYHJBPTC-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM CO[C@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000355958955 378845088 /nfs/dbraw/zinc/84/50/88/378845088.db2.gz PSSMRGCKVSZVDQ-ZJUUUORDSA-N -1 0 316.383 -0.618 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)c2ncn(C)n2)ccc1[O-] ZINC000355995688 378848679 /nfs/dbraw/zinc/84/86/79/378848679.db2.gz YONAQAFJDUFIMG-UHFFFAOYSA-N -1 0 311.323 -0.319 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC ZINC000356589158 378889514 /nfs/dbraw/zinc/88/95/14/378889514.db2.gz GZLOMUGSWKXLLJ-KXUCPTDWSA-N -1 0 323.367 -0.829 20 0 DBADRM CCn1nccc1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000367243658 378893154 /nfs/dbraw/zinc/89/31/54/378893154.db2.gz LFQRHQORNRTRLD-UHFFFAOYSA-N -1 0 303.340 -0.185 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000367249918 378908769 /nfs/dbraw/zinc/90/87/69/378908769.db2.gz CMQLMRRWVVVIEN-JTQLQIEISA-N -1 0 323.758 -0.096 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000367249702 378908940 /nfs/dbraw/zinc/90/89/40/378908940.db2.gz ANDJYGIOSAAUIV-LBPRGKRZSA-N -1 0 321.351 -0.507 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)c1cnc2sccn2c1=O ZINC000357062003 378916992 /nfs/dbraw/zinc/91/69/92/378916992.db2.gz WUNXUJPYESVYFN-UHFFFAOYSA-N -1 0 303.307 -0.312 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)c1 ZINC000357547005 378954094 /nfs/dbraw/zinc/95/40/94/378954094.db2.gz PZVAJXSDNVVRIO-UHFFFAOYSA-N -1 0 324.366 -0.304 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000367278731 378965071 /nfs/dbraw/zinc/96/50/71/378965071.db2.gz MMSDHDNOUIQBJN-JTQLQIEISA-N -1 0 309.322 -0.078 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000358393821 379035091 /nfs/dbraw/zinc/03/50/91/379035091.db2.gz QOJRCGZEKGOEBD-MRVPVSSYSA-N -1 0 304.376 -0.957 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000358387824 379035610 /nfs/dbraw/zinc/03/56/10/379035610.db2.gz ZKXRFPGJCWHLHL-BDAKNGLRSA-N -1 0 318.403 -0.665 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H](O)C1CCCCC1 ZINC000643433033 379084645 /nfs/dbraw/zinc/08/46/45/379084645.db2.gz MDTCQMFJXVHEIS-MNOVXSKESA-N -1 0 319.379 -0.362 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cnn(C)c2)C1=O ZINC000358701903 379078218 /nfs/dbraw/zinc/07/82/18/379078218.db2.gz ZCTMTYJNWJHGOE-QWRGUYRKSA-N -1 0 308.338 -0.140 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)c2nccnc2N)C1=O ZINC000358705965 379079359 /nfs/dbraw/zinc/07/93/59/379079359.db2.gz CCEQWICXXJABBB-WCBMZHEXSA-N -1 0 321.337 -0.501 20 0 DBADRM COCCOC1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000359487932 379170935 /nfs/dbraw/zinc/17/09/35/379170935.db2.gz XRFAQHDOMYYEQS-UHFFFAOYSA-N -1 0 320.305 -0.077 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)NCc2n[nH]c(=O)[n-]2)C1=O ZINC000359812651 379202778 /nfs/dbraw/zinc/20/27/78/379202778.db2.gz WPVHDUBYFINDRN-UHFFFAOYSA-N -1 0 310.314 -0.763 20 0 DBADRM CC(C)(NC(=O)Cn1nnc2ccccc2c1=O)c1nnn[n-]1 ZINC000359793653 379198512 /nfs/dbraw/zinc/19/85/12/379198512.db2.gz SOOIPRWYENPTHI-UHFFFAOYSA-N -1 0 314.309 -0.644 20 0 DBADRM CO[C@]1(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCOC1 ZINC000359807916 379201256 /nfs/dbraw/zinc/20/12/56/379201256.db2.gz ZEWNGZISHIJFRE-AWEZNQCLSA-N -1 0 320.305 -0.029 20 0 DBADRM O=C(CN1CCN(c2ccccn2)CC1)NCc1n[nH]c(=O)[n-]1 ZINC000359852251 379206792 /nfs/dbraw/zinc/20/67/92/379206792.db2.gz YDHRJXFOWYHACV-UHFFFAOYSA-N -1 0 317.353 -0.656 20 0 DBADRM COC(=O)[C@@H](CF)[N-]S(=O)(=O)CC1(C(=O)OC)CCC1 ZINC000360190915 379239271 /nfs/dbraw/zinc/23/92/71/379239271.db2.gz XIHXDLPBDPDGGH-MRVPVSSYSA-N -1 0 311.331 -0.240 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@H]3[C@@H]4COC[C@@H]43)cc-2c(=O)[n-]1 ZINC000360351687 379257344 /nfs/dbraw/zinc/25/73/44/379257344.db2.gz ITGMDONPPNPEND-BRPSZJMVSA-N -1 0 324.318 -0.641 20 0 DBADRM CCO[C@@H](C)c1noc(CN2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC000360419774 379263078 /nfs/dbraw/zinc/26/30/78/379263078.db2.gz LEFVUEUHISQHJY-VIFPVBQESA-N -1 0 312.326 -0.104 20 0 DBADRM NC(=O)c1cc(F)ccc1[N-]S(=O)(=O)N1CCOCC1 ZINC000360603252 379282942 /nfs/dbraw/zinc/28/29/42/379282942.db2.gz CQHSCXWBIFLEBH-UHFFFAOYSA-N -1 0 303.315 -0.087 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)[N-]c1nc(OC)n[nH]1 ZINC000360926423 379315929 /nfs/dbraw/zinc/31/59/29/379315929.db2.gz RAYSKPZHUVJJBZ-UHFFFAOYSA-N -1 0 319.324 -0.143 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CC[C@H](O)C2(C)C)c1 ZINC000361160009 379331169 /nfs/dbraw/zinc/33/11/69/379331169.db2.gz SITPWOWOUGQRKV-VIFPVBQESA-N -1 0 316.383 -0.930 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CC[C@@H](O)C2(C)C)c1 ZINC000361160008 379332021 /nfs/dbraw/zinc/33/20/21/379332021.db2.gz SITPWOWOUGQRKV-SECBINFHSA-N -1 0 316.383 -0.930 20 0 DBADRM O=C(NCc1nc(C(F)(F)F)n[nH]1)NC[C@]1(O)CCOC1 ZINC000361704758 379379108 /nfs/dbraw/zinc/37/91/08/379379108.db2.gz HASRNZFQJQRFCZ-SECBINFHSA-N -1 0 309.248 -0.226 20 0 DBADRM COC(=O)[C@@](C)(O)CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000362403544 379434123 /nfs/dbraw/zinc/43/41/23/379434123.db2.gz PQCZFFMPTVCWLP-AWEZNQCLSA-N -1 0 321.289 -0.316 20 0 DBADRM COC(=O)[C@@](C)(O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000362417229 379437285 /nfs/dbraw/zinc/43/72/85/379437285.db2.gz IVQFEYUSJRIZPG-ZDUSSCGKSA-N -1 0 322.277 -0.910 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000362433021 379438920 /nfs/dbraw/zinc/43/89/20/379438920.db2.gz BMCTUMAJVJODKU-UHFFFAOYSA-N -1 0 307.310 -0.547 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(=O)[O-])cc1 ZINC000362433464 379439078 /nfs/dbraw/zinc/43/90/78/379439078.db2.gz CIAZUTITYWIEPJ-VIFPVBQESA-N -1 0 300.336 -0.137 20 0 DBADRM CS(=O)(=O)NCCNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000362505436 379443562 /nfs/dbraw/zinc/44/35/62/379443562.db2.gz MUQMHAZVYYPBLW-UHFFFAOYSA-N -1 0 324.362 -0.143 20 0 DBADRM Cc1cc(C)n2nc(CC(=O)N3CCO[C@@H](C(=O)[O-])C3)nc2n1 ZINC000362572782 379448406 /nfs/dbraw/zinc/44/84/06/379448406.db2.gz LYEYQZHBDYKVKY-SNVBAGLBSA-N -1 0 319.321 -0.404 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)Cc1cc(C)no1)C(=O)OC ZINC000362606353 379451238 /nfs/dbraw/zinc/45/12/38/379451238.db2.gz NOEUDEZHSWFNMX-VIFPVBQESA-N -1 0 320.323 -0.493 20 0 DBADRM CN(Cc1ccccc1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643452106 379631642 /nfs/dbraw/zinc/63/16/42/379631642.db2.gz CUXPUCQCXDKVCG-LBPRGKRZSA-N -1 0 306.318 -0.043 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000390131311 379635491 /nfs/dbraw/zinc/63/54/91/379635491.db2.gz BWZUJDGZOUYEJW-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000390365307 379637744 /nfs/dbraw/zinc/63/77/44/379637744.db2.gz SIHRHOKDSCRMOC-SECBINFHSA-N -1 0 307.372 -0.522 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000582304111 379620677 /nfs/dbraw/zinc/62/06/77/379620677.db2.gz ANOHTKONDLLNBP-NXEZZACHSA-N -1 0 306.384 -0.117 20 0 DBADRM COC[C@@H](NC(=O)NCc1cc(=O)n2ccccc2n1)C(=O)[O-] ZINC000582304335 379623411 /nfs/dbraw/zinc/62/34/11/379623411.db2.gz JZOGETHGSHHXBY-SNVBAGLBSA-N -1 0 320.305 -0.407 20 0 DBADRM C[C@@H]1CSCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643459467 379696677 /nfs/dbraw/zinc/69/66/77/379696677.db2.gz YUNGRBQYSMJCDK-RKDXNWHRSA-N -1 0 302.352 -0.738 20 0 DBADRM C[C@@H]1CCSCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643460262 379700350 /nfs/dbraw/zinc/70/03/50/379700350.db2.gz GYRFDMRFBMVEBE-NXEZZACHSA-N -1 0 316.379 -0.348 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C(F)F)CCO1 ZINC000643460773 379704068 /nfs/dbraw/zinc/70/40/68/379704068.db2.gz UPAKUPHRKOMIMG-RKDXNWHRSA-N -1 0 320.292 -0.055 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N(CC2CC2)CC2CC2)CCO1 ZINC000643460153 379704442 /nfs/dbraw/zinc/70/44/42/379704442.db2.gz KZXCUKITGSZHTD-GFCCVEGCSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCc3c[nH]nc3C2)C1 ZINC000643460824 379706674 /nfs/dbraw/zinc/70/66/74/379706674.db2.gz ITFGCYJSOWBSHV-GXSJLCMTSA-N -1 0 320.349 -0.136 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCS1 ZINC000643463754 379798483 /nfs/dbraw/zinc/79/84/83/379798483.db2.gz AHFFWXIKPMITRT-NXEZZACHSA-N -1 0 316.379 -0.348 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)NCc2nnn[n-]2)ccc1C ZINC000610463200 379800129 /nfs/dbraw/zinc/80/01/29/379800129.db2.gz YKUMBYCTZNANFW-UHFFFAOYSA-N -1 0 318.293 -0.450 20 0 DBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)(F)F ZINC000349579034 379803368 /nfs/dbraw/zinc/80/33/68/379803368.db2.gz XRCUVWLTOUNMOT-UHFFFAOYSA-N -1 0 312.335 -0.250 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC[C@@H]1C ZINC000643461550 379760540 /nfs/dbraw/zinc/76/05/40/379760540.db2.gz SVQNKZZZIZGEIH-HBNTYKKESA-N -1 0 314.338 -0.818 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)CCS(C)(=O)=O)C1 ZINC000063142769 379773145 /nfs/dbraw/zinc/77/31/45/379773145.db2.gz YBLMEYLIDICSHO-SNVBAGLBSA-N -1 0 313.397 -0.453 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC([C@H](C)C(=O)[O-])C1 ZINC000530420362 379781679 /nfs/dbraw/zinc/78/16/79/379781679.db2.gz ICLOUOLUPGKIJS-JTQLQIEISA-N -1 0 324.399 -0.522 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000633070046 379786273 /nfs/dbraw/zinc/78/62/73/379786273.db2.gz TXPMFAMISUKMDE-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000230103007 379868090 /nfs/dbraw/zinc/86/80/90/379868090.db2.gz QWXLHXXZSJLKKC-SECBINFHSA-N -1 0 302.308 -0.837 20 0 DBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCS(C)(=O)=O)C1 ZINC000044567862 379868267 /nfs/dbraw/zinc/86/82/67/379868267.db2.gz TWNMDJTTWGEGKJ-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM Cc1ncc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)s1 ZINC000230101571 379868382 /nfs/dbraw/zinc/86/83/82/379868382.db2.gz VMUOJRRBXIVTLZ-UHFFFAOYSA-N -1 0 317.352 -0.394 20 0 DBADRM CSC[C@@](C)(O)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000230134139 379868434 /nfs/dbraw/zinc/86/84/34/379868434.db2.gz MPNXEIABYLGWHJ-VIFPVBQESA-N -1 0 309.369 -0.500 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000584843820 379851059 /nfs/dbraw/zinc/85/10/59/379851059.db2.gz SVGBKEHARLQMJK-QWRGUYRKSA-N -1 0 308.338 -0.002 20 0 DBADRM CCC(=O)N[C@H](CCSC)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000610891857 379859386 /nfs/dbraw/zinc/85/93/86/379859386.db2.gz GVEQVBZURJMMPG-NXEZZACHSA-N -1 0 318.395 -0.054 20 0 DBADRM COCCN(CC(=O)[O-])CC(=O)NC(=O)NCC(F)(F)F ZINC000610896819 379860447 /nfs/dbraw/zinc/86/04/47/379860447.db2.gz VXQSMXFETRPDGU-UHFFFAOYSA-N -1 0 315.248 -0.593 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000044352820 379870016 /nfs/dbraw/zinc/87/00/16/379870016.db2.gz KBGUSVDJXAYAOV-UHFFFAOYSA-N -1 0 316.335 -0.192 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000040578775 379862305 /nfs/dbraw/zinc/86/23/05/379862305.db2.gz ZSNKPGHWPIHIHO-JTQLQIEISA-N -1 0 321.399 -0.132 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000043702929 379866151 /nfs/dbraw/zinc/86/61/51/379866151.db2.gz QHQBRNYBUQCUSV-AXFHLTTASA-N -1 0 306.384 -0.006 20 0 DBADRM COC(=O)Cc1csc(NC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC000610583708 379813521 /nfs/dbraw/zinc/81/35/21/379813521.db2.gz XEGAXLRZVBDDCG-UHFFFAOYSA-N -1 0 324.318 -0.090 20 0 DBADRM CO[C@@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000230233243 379867416 /nfs/dbraw/zinc/86/74/16/379867416.db2.gz UJIFWRHFCRLGNR-SECBINFHSA-N -1 0 303.340 -0.233 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2Cc3ccccc3CO2)CCO1 ZINC000643466292 379819282 /nfs/dbraw/zinc/81/92/82/379819282.db2.gz WAXVMXYIMAQTMO-LBPRGKRZSA-N -1 0 320.301 -0.228 20 0 DBADRM COC(=O)C1(CNC(=O)c2cnc([O-])n(C)c2=O)CCCC1 ZINC000610631779 379820650 /nfs/dbraw/zinc/82/06/50/379820650.db2.gz UDVCKYIVNHXTEQ-UHFFFAOYSA-N -1 0 309.322 -0.051 20 0 DBADRM Cc1ccoc1CN(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643467180 379821211 /nfs/dbraw/zinc/82/12/11/379821211.db2.gz HULRFSCXFUMVJE-LLVKDONJSA-N -1 0 310.306 -0.142 20 0 DBADRM COC[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643466452 379821671 /nfs/dbraw/zinc/82/16/71/379821671.db2.gz MEMPWBRDGNIXSF-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM CSC[C@](C)(O)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000230134142 379867588 /nfs/dbraw/zinc/86/75/88/379867588.db2.gz MPNXEIABYLGWHJ-SECBINFHSA-N -1 0 309.369 -0.500 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1ccc(C)c(C(N)=O)c1)C(=O)[O-] ZINC000230104162 379867688 /nfs/dbraw/zinc/86/76/88/379867688.db2.gz KFDDBHDJBLHMNZ-JTQLQIEISA-N -1 0 316.335 -0.528 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)C[C@@H](O)C2CC2)C1 ZINC000643468613 379822828 /nfs/dbraw/zinc/82/28/28/379822828.db2.gz KDWKMGAZWZSROE-YUSALJHKSA-N -1 0 312.366 -0.215 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000230103982 379867814 /nfs/dbraw/zinc/86/78/14/379867814.db2.gz TYJIANXCDVSUQR-MRVPVSSYSA-N -1 0 304.280 -0.027 20 0 DBADRM C[C@@H]1CCCCN1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000230094971 379867895 /nfs/dbraw/zinc/86/78/95/379867895.db2.gz AEXMQXAHAMEUCZ-RKDXNWHRSA-N -1 0 307.372 -0.586 20 0 DBADRM CO[C@H](CNS(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-] ZINC000230104895 379868022 /nfs/dbraw/zinc/86/80/22/379868022.db2.gz XNBWKBOVMVLLHK-GFCCVEGCSA-N -1 0 314.363 -0.021 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000230102873 379868030 /nfs/dbraw/zinc/86/80/30/379868030.db2.gz QJBRFSWSHVIUCN-SECBINFHSA-N -1 0 304.280 -0.027 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCN(C)C1 ZINC000134696195 379917471 /nfs/dbraw/zinc/91/74/71/379917471.db2.gz FOWVZCHBOWVULO-SSDOTTSWSA-N -1 0 305.381 -0.088 20 0 DBADRM O=C(NC[C@@H]1CCC[C@@H](O)C1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000123570750 379886830 /nfs/dbraw/zinc/88/68/30/379886830.db2.gz TWUBJJRCPLPOTP-PSASIEDQSA-N -1 0 318.333 -0.108 20 0 DBADRM CCN1CCCN(S(=O)(=O)[N-]CC(F)(F)F)CC1=O ZINC000195467985 379931677 /nfs/dbraw/zinc/93/16/77/379931677.db2.gz XEXUEJWGNKOHGE-UHFFFAOYSA-N -1 0 303.306 -0.063 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])[C@@H]1OC ZINC000420564668 380064605 /nfs/dbraw/zinc/06/46/05/380064605.db2.gz RTASWXJIROSKCR-YTWAJWBKSA-N -1 0 316.354 -0.526 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)Cn1cccn1 ZINC000420530975 380064903 /nfs/dbraw/zinc/06/49/03/380064903.db2.gz FUBGIIAZEWUZAC-XHDPSFHLSA-N -1 0 322.365 -0.041 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCCNc2ccccn2)C1 ZINC000420537820 380065089 /nfs/dbraw/zinc/06/50/89/380065089.db2.gz OOFRPRXCNNBXPZ-LLVKDONJSA-N -1 0 320.349 -0.067 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)NCCCC(=O)[O-])[C@H]1OC ZINC000420569976 380065306 /nfs/dbraw/zinc/06/53/06/380065306.db2.gz YMFBYZDXEUSGSL-IQJOONFLSA-N -1 0 302.327 -0.724 20 0 DBADRM COC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCC(=O)[O-] ZINC000420549261 380066265 /nfs/dbraw/zinc/06/62/65/380066265.db2.gz FOHFOFOHZLFEPO-GFCCVEGCSA-N -1 0 308.334 -0.049 20 0 DBADRM C[C@]1(O)CCN(C(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000420579863 380066790 /nfs/dbraw/zinc/06/67/90/380066790.db2.gz FZRHEAOLEZORTL-HNNXBMFYSA-N -1 0 306.318 -0.016 20 0 DBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000420558250 380066819 /nfs/dbraw/zinc/06/68/19/380066819.db2.gz DCERVKSKDPLIBR-UWVGGRQHSA-N -1 0 314.338 -0.377 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCCSCC(F)(F)F ZINC000420554861 380066825 /nfs/dbraw/zinc/06/68/25/380066825.db2.gz IBJCKNLTJGXVAV-UHFFFAOYSA-N -1 0 302.274 -0.011 20 0 DBADRM COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000420590199 380066849 /nfs/dbraw/zinc/06/68/49/380066849.db2.gz JWYMBQSNEOEXPX-AWEZNQCLSA-N -1 0 314.338 -0.231 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC000420585283 380067245 /nfs/dbraw/zinc/06/72/45/380067245.db2.gz BBITWRGMURTXNV-SECBINFHSA-N -1 0 300.311 -0.621 20 0 DBADRM CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NCCC(=O)[O-] ZINC000420603023 380069139 /nfs/dbraw/zinc/06/91/39/380069139.db2.gz TTWFARFJTULJER-UHFFFAOYSA-N -1 0 308.290 -0.035 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000420592704 380069230 /nfs/dbraw/zinc/06/92/30/380069230.db2.gz NAYSIDBIUHYBTN-SNVBAGLBSA-N -1 0 314.338 -0.231 20 0 DBADRM Cn1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)n1 ZINC000420573416 380070676 /nfs/dbraw/zinc/07/06/76/380070676.db2.gz ZECISMBVHGELQF-ZUZCIYMTSA-N -1 0 320.349 -0.250 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H](CC(C)C)OC ZINC000420696438 380074611 /nfs/dbraw/zinc/07/46/11/380074611.db2.gz YEZQQGLMIYBNPH-QWRGUYRKSA-N -1 0 311.400 -0.109 20 0 DBADRM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000070415542 380090681 /nfs/dbraw/zinc/09/06/81/380090681.db2.gz VIRJSPXSXNBEDT-UHFFFAOYSA-N -1 0 302.337 -0.142 20 0 DBADRM C[C@@H](CN(C)S(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000050351184 183782467 /nfs/dbraw/zinc/78/24/67/183782467.db2.gz OEVXOZKHGARLFY-QMMMGPOBSA-N -1 0 313.397 -0.454 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)ccc1C(=O)[O-] ZINC000571788376 380119113 /nfs/dbraw/zinc/11/91/13/380119113.db2.gz UEXYPVXEJHZULH-JTQLQIEISA-N -1 0 319.317 -0.021 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000571881896 380122482 /nfs/dbraw/zinc/12/24/82/380122482.db2.gz GOPWZEIIMWHWOO-HFAKWTLXSA-N -1 0 312.366 -0.071 20 0 DBADRM Cn1ccc(=O)n(CCCNC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c1=O ZINC000571881469 380123325 /nfs/dbraw/zinc/12/33/25/380123325.db2.gz QENRHSPBLUINTG-WDEREUQCSA-N -1 0 323.349 -0.590 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000571896231 380125370 /nfs/dbraw/zinc/12/53/70/380125370.db2.gz ZJJBYQGIVPCVBM-ZJUUUORDSA-N -1 0 317.367 -0.425 20 0 DBADRM C[C@@H](CC(=O)[O-])N(C)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000572059992 380129257 /nfs/dbraw/zinc/12/92/57/380129257.db2.gz LFIWWDSIRKOARK-QMMMGPOBSA-N -1 0 307.310 -0.548 20 0 DBADRM Cc1nccn1CCCN1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000572044547 380129416 /nfs/dbraw/zinc/12/94/16/380129416.db2.gz JFFHMYSQRDRJPA-SNVBAGLBSA-N -1 0 306.326 -0.152 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000262971785 380205646 /nfs/dbraw/zinc/20/56/46/380205646.db2.gz PUOQGXHOQLFDBT-IUCAKERBSA-N -1 0 306.384 -0.117 20 0 DBADRM COCCOCCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000262332302 380183781 /nfs/dbraw/zinc/18/37/81/380183781.db2.gz FBZGJJVVQUJKGT-SMDDNHRTSA-N -1 0 301.339 -0.011 20 0 DBADRM COCCCCS(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000262358315 380185675 /nfs/dbraw/zinc/18/56/75/380185675.db2.gz CFWRQDFGBCZTOM-SNVBAGLBSA-N -1 0 324.399 -0.346 20 0 DBADRM COC(=O)c1cn(CCNC(=O)C2(CC(=O)[O-])CCC2)nn1 ZINC000572367945 380188832 /nfs/dbraw/zinc/18/88/32/380188832.db2.gz OFDULGWWJSUUSJ-UHFFFAOYSA-N -1 0 310.310 -0.174 20 0 DBADRM Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CCO2)n1 ZINC000262455799 380188930 /nfs/dbraw/zinc/18/89/30/380188930.db2.gz XEJRAXUBCWLHBS-SDDRHHMPSA-N -1 0 308.338 -0.157 20 0 DBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)NC[C@@](C)(O)C(=O)[O-])C2=O ZINC000262391983 380188994 /nfs/dbraw/zinc/18/89/94/380188994.db2.gz MJLSTJCLYSEESK-OAHLLOKOSA-N -1 0 320.301 -0.457 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])cn1 ZINC000262490127 380192148 /nfs/dbraw/zinc/19/21/48/380192148.db2.gz XHLHLNBPXIAZFM-ZETCQYMHSA-N -1 0 302.308 -0.038 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548201154 380192496 /nfs/dbraw/zinc/19/24/96/380192496.db2.gz FXXPTFCPDXVELF-UWVGGRQHSA-N -1 0 323.367 -0.261 20 0 DBADRM CNC(=O)[C@@H](NC(=O)CN(C)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000262671508 380198833 /nfs/dbraw/zinc/19/88/33/380198833.db2.gz RUARURRZVPWJPJ-GWCFXTLKSA-N -1 0 307.350 -0.005 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)nc1 ZINC000262869779 380204275 /nfs/dbraw/zinc/20/42/75/380204275.db2.gz WILYJPYEPKHKLJ-KOLCDFICSA-N -1 0 307.306 -0.210 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000262893675 380204282 /nfs/dbraw/zinc/20/42/82/380204282.db2.gz CGWZJCWYIJMOAL-LBPRGKRZSA-N -1 0 321.399 -0.180 20 0 DBADRM COc1ncnc(N(C)C)c1NC(=O)NC[C@](C)(O)C(=O)[O-] ZINC000263020912 380207355 /nfs/dbraw/zinc/20/73/55/380207355.db2.gz JDNVZMDWOXQDIK-LBPRGKRZSA-N -1 0 313.314 -0.492 20 0 DBADRM Nc1ncnc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1Cl ZINC000263032863 380207681 /nfs/dbraw/zinc/20/76/81/380207681.db2.gz HMYZSCZJCYIGIR-RXMQYKEDSA-N -1 0 306.731 -0.600 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CNC(=O)NCc2ccco2)CCO1 ZINC000263047176 380208461 /nfs/dbraw/zinc/20/84/61/380208461.db2.gz WMOVKDZLFWNFDJ-JTQLQIEISA-N -1 0 311.294 -0.609 20 0 DBADRM CO[C@H](CNC(=O)Cn1nnc(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC000263150689 380211582 /nfs/dbraw/zinc/21/15/82/380211582.db2.gz WYWRUMWAZAHSAK-LLVKDONJSA-N -1 0 319.321 -0.136 20 0 DBADRM C/C=C/C[C@@H](NC(=O)CNS(=O)(=O)CCCOC)C(=O)[O-] ZINC000263244003 380212955 /nfs/dbraw/zinc/21/29/55/380212955.db2.gz FQYFVZQXYKPAFV-HMDXOVGESA-N -1 0 322.383 -0.522 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000263277797 380213093 /nfs/dbraw/zinc/21/30/93/380213093.db2.gz SNOQWONKDPNXGF-VIFPVBQESA-N -1 0 309.326 -0.354 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCN(c3cnccn3)CC2)cn1 ZINC000263310023 380213905 /nfs/dbraw/zinc/21/39/05/380213905.db2.gz WYBQPLSMKJMQRM-UHFFFAOYSA-N -1 0 314.305 -0.073 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000611837688 380214125 /nfs/dbraw/zinc/21/41/25/380214125.db2.gz SLMBQHMGEBBPQU-UHFFFAOYSA-N -1 0 309.322 -0.043 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000263328696 380215568 /nfs/dbraw/zinc/21/55/68/380215568.db2.gz LBCQYCQBAUMRFA-UWVGGRQHSA-N -1 0 323.353 -0.108 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000263328698 380215733 /nfs/dbraw/zinc/21/57/33/380215733.db2.gz LBCQYCQBAUMRFA-ZJUUUORDSA-N -1 0 323.353 -0.108 20 0 DBADRM CCN1CCN(CC(=O)N([C@@H](C)C(=O)[O-])C2CC2)C(=O)C1=O ZINC000263569281 380222852 /nfs/dbraw/zinc/22/28/52/380222852.db2.gz ZFZVZLMJLRCFRB-VIFPVBQESA-N -1 0 311.338 -0.859 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C[C@H]1C(=O)[O-] ZINC000422551219 380289480 /nfs/dbraw/zinc/28/94/80/380289480.db2.gz DFOYLABHPSLKIG-VPOLOUISSA-N -1 0 306.384 -0.007 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c2ccccc2O1 ZINC000422676527 380295963 /nfs/dbraw/zinc/29/59/63/380295963.db2.gz DWSJAWQBKPRQHZ-RFAUZJTJSA-N -1 0 322.317 -0.248 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCCn2ccnc2)C1 ZINC000422695883 380296080 /nfs/dbraw/zinc/29/60/80/380296080.db2.gz QJDKTAPZHKOCNI-NWDGAFQWSA-N -1 0 322.365 -0.041 20 0 DBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@H]1CO)C2 ZINC000422787122 380297571 /nfs/dbraw/zinc/29/75/71/380297571.db2.gz QYVIANFQTGMLCL-ZIBATOQPSA-N -1 0 310.350 -0.317 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC(C)(C)O)C1 ZINC000422817093 380297923 /nfs/dbraw/zinc/29/79/23/380297923.db2.gz CFZNZDBLZXKNEY-NXEZZACHSA-N -1 0 300.355 -0.215 20 0 DBADRM CCN(CC(C)(C)O)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000422821786 380297933 /nfs/dbraw/zinc/29/79/33/380297933.db2.gz YKJRPYYBRZCIRU-AWEZNQCLSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CCn2cccn2)C1 ZINC000422816627 380298187 /nfs/dbraw/zinc/29/81/87/380298187.db2.gz BCQFLYMLUOFABL-NEPJUHHUSA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@@H](O)C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000422840711 380300046 /nfs/dbraw/zinc/30/00/46/380300046.db2.gz UMKCAIPFMKYICP-WISYIIOYSA-N -1 0 312.366 -0.073 20 0 DBADRM CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000422839707 380300199 /nfs/dbraw/zinc/30/01/99/380300199.db2.gz AEXHXENJMOBFTL-UWVGGRQHSA-N -1 0 316.354 -0.034 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000422864455 380301432 /nfs/dbraw/zinc/30/14/32/380301432.db2.gz NCMOGMJRYXQVTI-GHMZBOCLSA-N -1 0 300.355 -0.214 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C[C@H]1OC ZINC000422868823 380301602 /nfs/dbraw/zinc/30/16/02/380301602.db2.gz WFHDMIXIJQVDRB-OPRDCNLKSA-N -1 0 302.327 -0.962 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000422857556 380302014 /nfs/dbraw/zinc/30/20/14/380302014.db2.gz YOVAGKZCKPRQRW-ZJUUUORDSA-N -1 0 314.338 -0.280 20 0 DBADRM COCCOC1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000422866689 380302414 /nfs/dbraw/zinc/30/24/14/380302414.db2.gz QRSYPSYAEGKSLE-SNVBAGLBSA-N -1 0 314.338 -0.817 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000422889797 380303362 /nfs/dbraw/zinc/30/33/62/380303362.db2.gz GWCYZXFHBARJNZ-LBPRGKRZSA-N -1 0 321.333 -0.006 20 0 DBADRM C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000422929542 380303627 /nfs/dbraw/zinc/30/36/27/380303627.db2.gz QKZYVWFXTRLWDM-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000422883228 380303725 /nfs/dbraw/zinc/30/37/25/380303725.db2.gz QDAHTFWKTKRSOH-ZDUSSCGKSA-N -1 0 300.311 -0.669 20 0 DBADRM C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000422929683 380304086 /nfs/dbraw/zinc/30/40/86/380304086.db2.gz RAUPYQJQJOXMQA-JRPNMDOOSA-N -1 0 312.366 -0.071 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)[C@@H]1C ZINC000422923318 380304192 /nfs/dbraw/zinc/30/41/92/380304192.db2.gz RQWNQRDNIQUYBA-KXUCPTDWSA-N -1 0 312.322 -0.671 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)C[C@H](O)Cc1ccccc1 ZINC000422938901 380304667 /nfs/dbraw/zinc/30/46/67/380304667.db2.gz LHJNCBUXXPQFJL-CYBMUJFWSA-N -1 0 322.361 -0.019 20 0 DBADRM COC(=O)CCCS(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-] ZINC000548685397 380373454 /nfs/dbraw/zinc/37/34/54/380373454.db2.gz GRDRKFOWRWHPKO-NSHDSACASA-N -1 0 311.356 -0.668 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612169511 380375506 /nfs/dbraw/zinc/37/55/06/380375506.db2.gz JYWHOOLCOHWENN-LBPRGKRZSA-N -1 0 314.363 -0.118 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1=O ZINC000612280307 380385755 /nfs/dbraw/zinc/38/57/55/380385755.db2.gz YIZZPCVIUUIYML-RKDXNWHRSA-N -1 0 316.383 -0.427 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424490931 380389232 /nfs/dbraw/zinc/38/92/32/380389232.db2.gz WPQBXCOZXDCXHG-NXEZZACHSA-N -1 0 300.355 -0.167 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N(C)C1CC(O)C1)C(=O)[O-] ZINC000424499153 380393589 /nfs/dbraw/zinc/39/35/89/380393589.db2.gz XZISOXNEPOGKIL-UHFFFAOYSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@H]1CN(C(=O)NCCN2C(=O)CNC2=O)CC[C@@H]1C(=O)[O-] ZINC000626753300 380342903 /nfs/dbraw/zinc/34/29/03/380342903.db2.gz JVHDLVBUZZVKMG-IUCAKERBSA-N -1 0 312.326 -0.710 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000002457731 380361000 /nfs/dbraw/zinc/36/10/00/380361000.db2.gz VFJIYVSQUZUBFQ-UHFFFAOYSA-N -1 0 312.347 -0.087 20 0 DBADRM CCC[C@H](C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)S(N)(=O)=O ZINC000612816435 380446641 /nfs/dbraw/zinc/44/66/41/380446641.db2.gz FPJXMKXFCNMOLA-RKDXNWHRSA-N -1 0 316.387 -0.637 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000612816484 380446913 /nfs/dbraw/zinc/44/69/13/380446913.db2.gz GZVFRXHADCQNFR-IUCAKERBSA-N -1 0 316.387 -0.767 20 0 DBADRM CC[C@@](C)(CO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613031032 380469851 /nfs/dbraw/zinc/46/98/51/380469851.db2.gz SGWKHZFKSUMDRM-LBPRGKRZSA-N -1 0 302.352 -0.070 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@H]2CO)c1 ZINC000613024295 380472433 /nfs/dbraw/zinc/47/24/33/380472433.db2.gz VGXAUVYYBFHOLK-MRVPVSSYSA-N -1 0 300.336 -0.364 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2COCCC2=O)c1 ZINC000628876005 380568304 /nfs/dbraw/zinc/56/83/04/380568304.db2.gz DMVBAOHFPWLSMI-SECBINFHSA-N -1 0 314.319 -0.873 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2COCCC2=O)cn1 ZINC000628885500 380569958 /nfs/dbraw/zinc/56/99/58/380569958.db2.gz WIVQZWLKDCKPIA-SECBINFHSA-N -1 0 313.335 -0.459 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000629340996 380631671 /nfs/dbraw/zinc/63/16/71/380631671.db2.gz SOGJRZIDIFUGQF-DTWKUNHWSA-N -1 0 318.355 -0.637 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])cn1 ZINC000629337954 380631863 /nfs/dbraw/zinc/63/18/63/380631863.db2.gz HGOOZZRNPONSSX-ONGXEEELSA-N -1 0 317.367 -0.032 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000629340995 380631876 /nfs/dbraw/zinc/63/18/76/380631876.db2.gz SOGJRZIDIFUGQF-BDAKNGLRSA-N -1 0 318.355 -0.637 20 0 DBADRM CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1cnc(C)n1C ZINC000629351399 380634490 /nfs/dbraw/zinc/63/44/90/380634490.db2.gz QCSBJIPTQPLRIH-UHFFFAOYSA-N -1 0 312.355 -0.080 20 0 DBADRM CO[C@H]1C[C@@H](CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000629346469 380635013 /nfs/dbraw/zinc/63/50/13/380635013.db2.gz LEIRBPURKZUZGU-DTORHVGOSA-N -1 0 303.340 -0.329 20 0 DBADRM C[C@@H]1CN(c2nccc(N3CCOCC3)n2)C[C@@H](C(=O)[O-])O1 ZINC000629383731 380635862 /nfs/dbraw/zinc/63/58/62/380635862.db2.gz WDPLHVARQQOTCH-MNOVXSKESA-N -1 0 308.338 -0.009 20 0 DBADRM O=C(N=c1nc(C2CCOCC2)[n-]s1)C1(n2cnnn2)CC1 ZINC000629105089 380596136 /nfs/dbraw/zinc/59/61/36/380596136.db2.gz LHWGNIJOJSVUBH-UHFFFAOYSA-N -1 0 321.366 -0.032 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1cnn(C[C@@H]2CCCO2)c1 ZINC000629286797 380621971 /nfs/dbraw/zinc/62/19/71/380621971.db2.gz DYZBUTATQSHDJI-JTQLQIEISA-N -1 0 312.355 -0.009 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])C1CC1 ZINC000629292461 380622252 /nfs/dbraw/zinc/62/22/52/380622252.db2.gz NABGZXYNVAJVKC-BDAKNGLRSA-N -1 0 308.356 -0.951 20 0 DBADRM COCCCn1ccc([N-]S(=O)(=O)c2cnnn2C)n1 ZINC000629288456 380622565 /nfs/dbraw/zinc/62/25/65/380622565.db2.gz BLBJHEVZEKJFQI-UHFFFAOYSA-N -1 0 300.344 -0.151 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)CO1 ZINC000629293663 380622810 /nfs/dbraw/zinc/62/28/10/380622810.db2.gz NNFZVVJXTWOKTC-KXUCPTDWSA-N -1 0 307.368 -0.037 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)CO1 ZINC000629301159 380623557 /nfs/dbraw/zinc/62/35/57/380623557.db2.gz AARCTXORRZWVOS-MRVPVSSYSA-N -1 0 318.355 -0.537 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1)C1CC1 ZINC000629303080 380624365 /nfs/dbraw/zinc/62/43/65/380624365.db2.gz KEJCRUOXGLOOMD-JQWIXIFHSA-N -1 0 307.368 -0.035 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2ccnn2C)[C@](C)(C(=O)[O-])C1 ZINC000629306982 380625545 /nfs/dbraw/zinc/62/55/45/380625545.db2.gz AYFMOAJMHRIGEK-KCJUWKMLSA-N -1 0 303.340 -0.327 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)c2c[nH]cn2)CC1 ZINC000629313372 380625553 /nfs/dbraw/zinc/62/55/53/380625553.db2.gz JFHJSQPEJQSGKI-UHFFFAOYSA-N -1 0 302.356 -0.421 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(C)n2C)C1 ZINC000629305630 380625646 /nfs/dbraw/zinc/62/56/46/380625646.db2.gz OOMCCVOATMRSTB-GFCCVEGCSA-N -1 0 317.367 -0.160 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2c(C)cnn2C)[C@](C)(C(=O)[O-])C1 ZINC000629307681 380625881 /nfs/dbraw/zinc/62/58/81/380625881.db2.gz FTCAODLTHAESMU-CABZTGNLSA-N -1 0 317.367 -0.019 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC000629309539 380626642 /nfs/dbraw/zinc/62/66/42/380626642.db2.gz UHNZDDQBZFEACW-BQBZGAKWSA-N -1 0 314.310 -0.413 20 0 DBADRM CCn1cncc1S(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000629314542 380627275 /nfs/dbraw/zinc/62/72/75/380627275.db2.gz WNNCUDPATBFOTH-UHFFFAOYSA-N -1 0 311.323 -0.130 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2c[nH]nc2C)[C@](C)(C(=O)[O-])C1 ZINC000629309936 380627661 /nfs/dbraw/zinc/62/76/61/380627661.db2.gz NREVVPRAPIUAIQ-KCJUWKMLSA-N -1 0 303.340 -0.029 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](CO)CC2CC2)c1 ZINC000613205751 380665648 /nfs/dbraw/zinc/66/56/48/380665648.db2.gz IXKOCPJXWUUWRD-SECBINFHSA-N -1 0 314.363 -0.070 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N1CCC[C@H](OCCO)C1 ZINC000195286904 380715790 /nfs/dbraw/zinc/71/57/90/380715790.db2.gz UCJIFDOBHPLVJW-QMMMGPOBSA-N -1 0 306.306 -0.144 20 0 DBADRM CC(C)N1CC[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C1=O ZINC000195256174 380715967 /nfs/dbraw/zinc/71/59/67/380715967.db2.gz PEBDDLKKDATYJM-SSDOTTSWSA-N -1 0 303.306 -0.018 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2cnn(C)c2)CC[C@@H]1C(=O)[O-] ZINC000629773689 380716850 /nfs/dbraw/zinc/71/68/50/380716850.db2.gz QUBOFZSNAROMEB-JQWIXIFHSA-N -1 0 322.365 -0.052 20 0 DBADRM C[C@H]1CN(c2ccc(C(=O)NCCO)nn2)CC[C@@H]1C(=O)[O-] ZINC000629768613 380717589 /nfs/dbraw/zinc/71/75/89/380717589.db2.gz KNFHGQXXAMPVJX-UWVGGRQHSA-N -1 0 308.338 -0.254 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CCn2cccn2)CC[C@@H]1C(=O)[O-] ZINC000629778385 380719301 /nfs/dbraw/zinc/71/93/01/380719301.db2.gz WBSYBTYMHWFHSX-NEPJUHHUSA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)[C@H]1CO ZINC000629777537 380719307 /nfs/dbraw/zinc/71/93/07/380719307.db2.gz SJVDDDHFBGSVKJ-USZNOCQGSA-N -1 0 312.366 -0.215 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCO[C@@H](CCF)C2)CC1 ZINC000629781137 380720424 /nfs/dbraw/zinc/72/04/24/380720424.db2.gz KRAIWGFGDCPHPY-NSHDSACASA-N -1 0 316.329 -0.103 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)C[C@H]1C(=O)[O-] ZINC000629783135 380721086 /nfs/dbraw/zinc/72/10/86/380721086.db2.gz FCXAQFKAZZMCPT-KIJLLGNVSA-N -1 0 324.377 -0.073 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)CC1 ZINC000629782615 380721344 /nfs/dbraw/zinc/72/13/44/380721344.db2.gz YLBFIQLPZJYSAR-BLLLJJGKSA-N -1 0 324.377 -0.069 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CC2(O)CCC2)CC[C@H]1C(=O)[O-] ZINC000629782170 380721502 /nfs/dbraw/zinc/72/15/02/380721502.db2.gz XANSHTWVKSAUKE-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM COc1ccc2ncc(C(=O)NCCCc3n[nH]c(=O)[n-]3)n2n1 ZINC000629966840 380789386 /nfs/dbraw/zinc/78/93/86/380789386.db2.gz ADTGBVNYJGALKZ-UHFFFAOYSA-N -1 0 317.309 -0.076 20 0 DBADRM CCNC(=O)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000623531690 381015259 /nfs/dbraw/zinc/01/52/59/381015259.db2.gz KRSQZHAGCJJRLE-UHFFFAOYSA-N -1 0 300.340 -0.681 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC000397069599 380986577 /nfs/dbraw/zinc/98/65/77/380986577.db2.gz XWEBWBPFVQLSGN-ZJUUUORDSA-N -1 0 319.383 -0.952 20 0 DBADRM COc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc1OC ZINC000230066139 381098630 /nfs/dbraw/zinc/09/86/30/381098630.db2.gz VEKNSJLXQZMOHW-VIFPVBQESA-N -1 0 319.335 -0.182 20 0 DBADRM COC[C@H](O)CC[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000231520442 381104878 /nfs/dbraw/zinc/10/48/78/381104878.db2.gz BCDJPEDSXLQKRI-SSDOTTSWSA-N -1 0 324.380 -0.395 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)on1 ZINC000613865443 381199825 /nfs/dbraw/zinc/19/98/25/381199825.db2.gz VIRKRNUXGLSMHE-ZETCQYMHSA-N -1 0 306.282 -0.006 20 0 DBADRM C[C@H]1C[C@H](O)CN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613874165 381201873 /nfs/dbraw/zinc/20/18/73/381201873.db2.gz KKYTYOTXPBGLNK-YUMQZZPRSA-N -1 0 300.336 -0.365 20 0 DBADRM CCN1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1=O ZINC000613952179 381206968 /nfs/dbraw/zinc/20/69/68/381206968.db2.gz BXPWMRIPOONVBF-UHFFFAOYSA-N -1 0 313.335 -0.699 20 0 DBADRM C[C@@H](O)CCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000614172664 381233577 /nfs/dbraw/zinc/23/35/77/381233577.db2.gz ZHRYCYOQDQSGLO-MRVPVSSYSA-N -1 0 302.352 -0.070 20 0 DBADRM COC(=O)c1c(C)cccc1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000614346646 381245609 /nfs/dbraw/zinc/24/56/09/381245609.db2.gz MPMCGENAQCWGQT-QMMMGPOBSA-N -1 0 317.319 -0.495 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])o1 ZINC000614375966 381248295 /nfs/dbraw/zinc/24/82/95/381248295.db2.gz NNSVNXPZUIMCPC-UHFFFAOYSA-N -1 0 321.307 -0.476 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cc(C)on2)C1 ZINC000530150639 381293596 /nfs/dbraw/zinc/29/35/96/381293596.db2.gz PBEHGGIRULGUIO-LLVKDONJSA-N -1 0 304.324 -0.012 20 0 DBADRM CC1(C)OC[C@H]2C[C@]21NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000530149255 381293680 /nfs/dbraw/zinc/29/36/80/381293680.db2.gz AHOTVCKGDLTAGX-KBUNVGBDSA-N -1 0 301.324 -0.046 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530149496 381293719 /nfs/dbraw/zinc/29/37/19/381293719.db2.gz CBTVANCLOWWSSO-XCBNKYQSSA-N -1 0 317.367 -0.100 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)NC[C@@H]1CCCOC1 ZINC000530148455 381293805 /nfs/dbraw/zinc/29/38/05/381293805.db2.gz DSGHNZBVVFGMJL-QMMMGPOBSA-N -1 0 303.340 -0.177 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N1CCOC(C)(C)C1 ZINC000530149242 381293835 /nfs/dbraw/zinc/29/38/35/381293835.db2.gz MYMIRJBMZODEGY-UHFFFAOYSA-N -1 0 303.340 -0.082 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N1CC[C@]2(CCOC2)C1 ZINC000530148376 381294060 /nfs/dbraw/zinc/29/40/60/381294060.db2.gz FJPXTMPNROCWJU-LBPRGKRZSA-N -1 0 315.351 -0.081 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)NCC1CCOCC1 ZINC000530150355 381294120 /nfs/dbraw/zinc/29/41/20/381294120.db2.gz SELQWDHXRDZTLC-UHFFFAOYSA-N -1 0 303.340 -0.177 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)NCCCn1cccn1 ZINC000530147466 381294767 /nfs/dbraw/zinc/29/47/67/381294767.db2.gz BZCUJDVGUDKFHO-UHFFFAOYSA-N -1 0 313.339 -0.317 20 0 DBADRM C[C@@H]1CN(c2ccnc(N3CCOCC3)n2)C[C@@H](C(=O)[O-])O1 ZINC000530176998 381296129 /nfs/dbraw/zinc/29/61/29/381296129.db2.gz LYBFZWMSKAHSGC-MNOVXSKESA-N -1 0 308.338 -0.009 20 0 DBADRM COc1cncc(S(=O)(=O)N2CC[C@](OC)(C(=O)[O-])C2)c1 ZINC000530154914 381296197 /nfs/dbraw/zinc/29/61/97/381296197.db2.gz XZFOXRAVXPDGNT-GFCCVEGCSA-N -1 0 316.335 -0.046 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N[C@H]1CCCOCC1 ZINC000530153781 381296242 /nfs/dbraw/zinc/29/62/42/381296242.db2.gz KTYYEJZQTDZNMI-QMMMGPOBSA-N -1 0 303.340 -0.034 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)CC(N)=O)ccc1[O-] ZINC000614569929 381301304 /nfs/dbraw/zinc/30/13/04/381301304.db2.gz WOVIICGBKCRZNH-ZETCQYMHSA-N -1 0 315.351 -0.250 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCS(C)(=O)=O ZINC000530339090 381306884 /nfs/dbraw/zinc/30/68/84/381306884.db2.gz IIQKDHHUOHDGMA-SNVBAGLBSA-N -1 0 313.397 -0.310 20 0 DBADRM CCNC(=O)N1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC000630105099 381322419 /nfs/dbraw/zinc/32/24/19/381322419.db2.gz PFIPAMOLQCFOLL-UHFFFAOYSA-N -1 0 309.326 -0.545 20 0 DBADRM CCN(C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1)[C@@H]1CCS(=O)(=O)C1 ZINC000630106576 381322564 /nfs/dbraw/zinc/32/25/64/381322564.db2.gz FYCLVRKVTKSGCS-VLEAKVRGSA-N -1 0 319.379 -0.100 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000538224674 381324496 /nfs/dbraw/zinc/32/44/96/381324496.db2.gz JABZFSFYEGVRDK-VIFPVBQESA-N -1 0 316.387 -0.813 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC000630119253 381324623 /nfs/dbraw/zinc/32/46/23/381324623.db2.gz SONAFTTWUSDCSK-MRVPVSSYSA-N -1 0 303.340 -0.479 20 0 DBADRM C[C@H](NC(=O)Cn1cc(C(=O)[O-])cn1)C(=O)NCc1ccco1 ZINC000630113086 381324644 /nfs/dbraw/zinc/32/46/44/381324644.db2.gz BZBUOCCZFMITOG-VIFPVBQESA-N -1 0 320.305 -0.005 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCC(=O)N(C)C)CC[C@@H]1C(=O)[O-] ZINC000627265108 381347439 /nfs/dbraw/zinc/34/74/39/381347439.db2.gz DSOOKNKOQRRJFC-UWVGGRQHSA-N -1 0 313.354 -0.850 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000627265083 381347794 /nfs/dbraw/zinc/34/77/94/381347794.db2.gz DGDPCFRQBDPXPB-KWQFWETISA-N -1 0 308.338 -0.096 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000539324427 381350930 /nfs/dbraw/zinc/35/09/30/381350930.db2.gz DIGUILKNYPLURM-SNVBAGLBSA-N -1 0 318.337 -0.218 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000630163132 381352383 /nfs/dbraw/zinc/35/23/83/381352383.db2.gz GCGHIVFCUWHAHY-WCBMZHEXSA-N -1 0 319.321 -0.027 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)Cc1cnn(C)c1)C(=O)[O-] ZINC000630170993 381353986 /nfs/dbraw/zinc/35/39/86/381353986.db2.gz PNOAXTHSDYBLQR-NSHDSACASA-N -1 0 310.354 -0.306 20 0 DBADRM CC1CCN(CC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CC1 ZINC000128469093 381356033 /nfs/dbraw/zinc/35/60/33/381356033.db2.gz CKAIWTIWBKMJNS-UHFFFAOYSA-N -1 0 301.372 -0.121 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000630196688 381363263 /nfs/dbraw/zinc/36/32/63/381363263.db2.gz HPLHQGNERFKNJG-VXGBXAGGSA-N -1 0 309.322 -0.012 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCc2nnn(C(C)(C)C)n2)O[C@H]1C(=O)[O-] ZINC000630202736 381363454 /nfs/dbraw/zinc/36/34/54/381363454.db2.gz JPYJWVNBVPHKOR-NQMVMOMDSA-N -1 0 311.342 -0.078 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H]2CCc3c(nnn3C)C2)O[C@H]1C(=O)[O-] ZINC000630204829 381364459 /nfs/dbraw/zinc/36/44/59/381364459.db2.gz SUUZNWGHFGFVDF-GAJNKVMBSA-N -1 0 308.338 -0.333 20 0 DBADRM Cc1oc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])cc1S(C)(=O)=O ZINC000630205670 381364472 /nfs/dbraw/zinc/36/44/72/381364472.db2.gz KDIWUSRLRXZYMW-XCBNKYQSSA-N -1 0 317.319 -0.037 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000630204726 381364987 /nfs/dbraw/zinc/36/49/87/381364987.db2.gz VQPBKAPJWMTXFD-SNVBAGLBSA-N -1 0 304.310 -0.279 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H]2CCC[C@H]21 ZINC000630285671 381378946 /nfs/dbraw/zinc/37/89/46/381378946.db2.gz ROWOOWAKDKEKKX-ZRUFSTJUSA-N -1 0 316.379 -0.220 20 0 DBADRM C[C@](CCF)(NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000630208901 381365381 /nfs/dbraw/zinc/36/53/81/381365381.db2.gz MOTKGDWSPBQTFH-JOYOIKCWSA-N -1 0 324.374 -0.023 20 0 DBADRM CN(CC(=O)N1CCc2occc2[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC000630236840 381369144 /nfs/dbraw/zinc/36/91/44/381369144.db2.gz RWMFNAUJPDKUHO-LLVKDONJSA-N -1 0 316.335 -0.319 20 0 DBADRM CC(=O)NCCN(C(=O)COC[C@@H]1CCCO1)[C@@H](C)C(=O)[O-] ZINC000540966203 381372681 /nfs/dbraw/zinc/37/26/81/381372681.db2.gz UYGHEEIKWWBWSA-JQWIXIFHSA-N -1 0 316.354 -0.380 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H](O)C1CCOCC1)[C@H](C)C(=O)[O-] ZINC000540966296 381372833 /nfs/dbraw/zinc/37/28/33/381372833.db2.gz DSMXUKQLRJBJHN-SKDRFNHKSA-N -1 0 316.354 -0.788 20 0 DBADRM COc1ncncc1NC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000540913437 381373532 /nfs/dbraw/zinc/37/35/32/381373532.db2.gz JGIINJDOLDCQTA-QMMMGPOBSA-N -1 0 306.282 -0.747 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC000630250417 381375716 /nfs/dbraw/zinc/37/57/16/381375716.db2.gz AOCKBVRTFKQYEC-LBPRGKRZSA-N -1 0 322.383 -0.640 20 0 DBADRM CC(C)[C@H](C(=O)NCCOCC(=O)[O-])N1CCCS1(=O)=O ZINC000630262773 381376570 /nfs/dbraw/zinc/37/65/70/381376570.db2.gz QMCRNNKRHXDPQT-LLVKDONJSA-N -1 0 322.383 -0.736 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NCCOCC(=O)[O-])cs1 ZINC000630262468 381376668 /nfs/dbraw/zinc/37/66/68/381376668.db2.gz MVCZYZRSBPBCQB-UHFFFAOYSA-N -1 0 308.337 -0.774 20 0 DBADRM Cn1nc(CC(=O)NCCOCC(=O)[O-])c2ccccc2c1=O ZINC000630262441 381376736 /nfs/dbraw/zinc/37/67/36/381376736.db2.gz MNAFSMJLZHKDKY-UHFFFAOYSA-N -1 0 319.317 -0.307 20 0 DBADRM CS(=O)(=O)c1ccccc1C(=O)NCCOCC(=O)[O-] ZINC000630263288 381376847 /nfs/dbraw/zinc/37/68/47/381376847.db2.gz XNALWMKIZGHEBO-UHFFFAOYSA-N -1 0 301.320 -0.079 20 0 DBADRM O=C([O-])COCCNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000630263098 381377031 /nfs/dbraw/zinc/37/70/31/381377031.db2.gz UVFNYHMQSFHMGX-NSHDSACASA-N -1 0 321.333 -0.353 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CCCOC2)c1 ZINC000614901536 381379602 /nfs/dbraw/zinc/37/96/02/381379602.db2.gz PGWCMXMUNNYBMX-QMMMGPOBSA-N -1 0 300.336 -0.052 20 0 DBADRM COCCN(CCOC)C(=O)N[C@H](C(=O)[O-])[C@H]1CCCO1 ZINC000630421820 381410660 /nfs/dbraw/zinc/41/06/60/381410660.db2.gz IJQCUPNMVKIAGK-MNOVXSKESA-N -1 0 304.343 -0.077 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000630268562 381379924 /nfs/dbraw/zinc/37/99/24/381379924.db2.gz ATXPKSOHVDMTQR-GUBZILKMSA-N -1 0 320.367 -0.936 20 0 DBADRM CO[C@@H]1CN(C(=O)CCCS(C)(=O)=O)[C@@](C)(C(=O)[O-])C1 ZINC000630307583 381385452 /nfs/dbraw/zinc/38/54/52/381385452.db2.gz ALFONZZNJPDTIE-JOYOIKCWSA-N -1 0 307.368 -0.098 20 0 DBADRM CO[C@H]1CN(C(=O)c2ccn3nnnc3c2)[C@@](C)(C(=O)[O-])C1 ZINC000630314627 381387680 /nfs/dbraw/zinc/38/76/80/381387680.db2.gz CKXXHOQOJSDWFT-NOZJJQNGSA-N -1 0 305.294 -0.172 20 0 DBADRM CO[C@H]1CN(C(=O)CS(=O)(=O)C(C)C)[C@](C)(C(=O)[O-])C1 ZINC000630312473 381388049 /nfs/dbraw/zinc/38/80/49/381388049.db2.gz OVUWCWXAZRTXFK-SKDRFNHKSA-N -1 0 307.368 -0.100 20 0 DBADRM CO[C@H]1CN(C(=O)CN2CSCC2=O)[C@@](C)(C(=O)[O-])C1 ZINC000630311789 381388395 /nfs/dbraw/zinc/38/83/95/381388395.db2.gz SJALRVZTMZFGKA-PRHODGIISA-N -1 0 302.352 -0.390 20 0 DBADRM Cn1nccc1COCC(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC000630339097 381389981 /nfs/dbraw/zinc/38/99/81/381389981.db2.gz JPWBEDRITNYDQS-AWEZNQCLSA-N -1 0 311.338 -0.066 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)[C@@](C)(C(=O)[O-])C1 ZINC000630318713 381390162 /nfs/dbraw/zinc/39/01/62/381390162.db2.gz YFOYKSNFLJMJEW-YGOYTEALSA-N -1 0 305.352 -0.346 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)CCCOC1 ZINC000630335303 381390173 /nfs/dbraw/zinc/39/01/73/381390173.db2.gz HSUKANYPGKQGBI-BONVTDFDSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C(CN1CCCS1(=O)=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC000630342057 381390352 /nfs/dbraw/zinc/39/03/52/381390352.db2.gz UVTHQDWIEHZZHG-LBPRGKRZSA-N -1 0 320.367 -0.981 20 0 DBADRM CN1CC[C@H](C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)S1(=O)=O ZINC000630342545 381391901 /nfs/dbraw/zinc/39/19/01/381391901.db2.gz ZPIYLGQDRJVEBH-SKDRFNHKSA-N -1 0 320.367 -0.982 20 0 DBADRM CN1CC[C@H](C(=O)NC[C@]2(C(=O)[O-])CCCOC2)S1(=O)=O ZINC000630342530 381392272 /nfs/dbraw/zinc/39/22/72/381392272.db2.gz ZPIYLGQDRJVEBH-BXKDBHETSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000630443541 381416389 /nfs/dbraw/zinc/41/63/89/381416389.db2.gz YSNSZTJNJNYNFQ-MWLCHTKSSA-N -1 0 316.379 -0.124 20 0 DBADRM O=C(NCCNc1nccc(C(F)(F)F)n1)c1nc(=O)[nH][n-]1 ZINC000132090402 381433869 /nfs/dbraw/zinc/43/38/69/381433869.db2.gz SKCDRGTZPDQKSP-UHFFFAOYSA-N -1 0 317.231 -0.251 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000545323132 381438977 /nfs/dbraw/zinc/43/89/77/381438977.db2.gz VSHKWMDJSSAXTK-UHFFFAOYSA-N -1 0 315.355 -0.803 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000630442210 381417702 /nfs/dbraw/zinc/41/77/02/381417702.db2.gz WQGYHQLYSCOFQB-LLVKDONJSA-N -1 0 316.379 -0.124 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])CC1=O ZINC000630445630 381418667 /nfs/dbraw/zinc/41/86/67/381418667.db2.gz JYLDQPVAEHAVLE-GUBZILKMSA-N -1 0 304.368 -0.126 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547548160 381485559 /nfs/dbraw/zinc/48/55/59/381485559.db2.gz FDAPUVBASRQITG-IWSPIJDZSA-N -1 0 309.340 -0.795 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@H](C)C(=O)[O-])c([N+](=O)[O-])n1 ZINC000547542096 381483107 /nfs/dbraw/zinc/48/31/07/381483107.db2.gz HAPOUTVCICQBRN-LURJTMIESA-N -1 0 306.300 -0.190 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cn(Cc2cccc(F)c2)nn1 ZINC000133242762 381456342 /nfs/dbraw/zinc/45/63/42/381456342.db2.gz GAOKXIDWCRLALK-UHFFFAOYSA-N -1 0 317.284 -0.193 20 0 DBADRM CCCN(C)S(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000547558998 381484318 /nfs/dbraw/zinc/48/43/18/381484318.db2.gz SIIXTJVYDCLSAM-SNVBAGLBSA-N -1 0 304.372 -0.179 20 0 DBADRM CCc1ccc(CS(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000547545089 381484670 /nfs/dbraw/zinc/48/46/70/381484670.db2.gz BPKLQSYYBQQXQD-UHFFFAOYSA-N -1 0 314.363 -0.131 20 0 DBADRM Cc1ccccc1CS(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000547546207 381484738 /nfs/dbraw/zinc/48/47/38/381484738.db2.gz ZCNWHSPZMVGGSO-UHFFFAOYSA-N -1 0 300.336 -0.385 20 0 DBADRM CN(C)C(=O)C(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000546960659 381468364 /nfs/dbraw/zinc/46/83/64/381468364.db2.gz XDFVLMNMRYUDTM-UHFFFAOYSA-N -1 0 317.367 -0.132 20 0 DBADRM CC[C@@H](C)CS(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-] ZINC000547549679 381484890 /nfs/dbraw/zinc/48/48/90/381484890.db2.gz DTQFNWKZIREEHO-MNOVXSKESA-N -1 0 308.400 -0.263 20 0 DBADRM O=C([O-])C[C@H](NS(=O)(=O)N1CCOCC1)C1CCOCC1 ZINC000547935356 381503447 /nfs/dbraw/zinc/50/34/47/381503447.db2.gz BJVDGWDTUSYOMA-NSHDSACASA-N -1 0 322.383 -0.577 20 0 DBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1cccs1 ZINC000547928972 381503955 /nfs/dbraw/zinc/50/39/55/381503955.db2.gz LHKCWLPSADCFMU-BWKAKNAASA-N -1 0 309.390 -0.046 20 0 DBADRM CCOCCS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000547919021 381503976 /nfs/dbraw/zinc/50/39/76/381503976.db2.gz UUEFPHAVLZSFTG-DTWKUNHWSA-N -1 0 308.356 -0.997 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000548222870 381520365 /nfs/dbraw/zinc/52/03/65/381520365.db2.gz KCFZPOZWIISFHV-ZJUUUORDSA-N -1 0 322.383 -0.736 20 0 DBADRM Cc1nc(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])cn1C ZINC000547914203 381504911 /nfs/dbraw/zinc/50/49/11/381504911.db2.gz YZJRIYJTQSUSJN-QMMMGPOBSA-N -1 0 305.356 -0.425 20 0 DBADRM CC[C@@H](C)CS(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000548217137 381520444 /nfs/dbraw/zinc/52/04/44/381520444.db2.gz PUCBLAVZEVRIJQ-NXEZZACHSA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@@H](CN(C)C(=O)CNC(=O)c1cccnc1)c1nnn[n-]1 ZINC000548138978 381514536 /nfs/dbraw/zinc/51/45/36/381514536.db2.gz POAXDJBHOYZSEL-VIFPVBQESA-N -1 0 303.326 -0.413 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cnn1C ZINC000627272408 381514772 /nfs/dbraw/zinc/51/47/72/381514772.db2.gz NOTLKEQKPGVISI-JOYOIKCWSA-N -1 0 322.365 -0.086 20 0 DBADRM CCN(C)S(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000548251645 381521119 /nfs/dbraw/zinc/52/11/19/381521119.db2.gz BFPMJXDYJYPVDR-UWVGGRQHSA-N -1 0 319.383 -0.810 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])C1 ZINC000548228514 381519361 /nfs/dbraw/zinc/51/93/61/381519361.db2.gz JYQHXTDNCCPKQS-GXSJLCMTSA-N -1 0 316.383 -0.408 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548202565 381519396 /nfs/dbraw/zinc/51/93/96/381519396.db2.gz FOCVURAVRZVXSF-QWRGUYRKSA-N -1 0 319.383 -0.011 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])c[nH]1 ZINC000547552096 381485627 /nfs/dbraw/zinc/48/56/27/381485627.db2.gz CSLHMZIMUKOKOQ-IUCAKERBSA-N -1 0 303.340 -0.124 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000547597279 381486564 /nfs/dbraw/zinc/48/65/64/381486564.db2.gz MOTFENOVGQGCFP-AEJSXWLSSA-N -1 0 322.383 -0.608 20 0 DBADRM Cn1cc(C[C@H](CNS(=O)(=O)CC2CC2)C(=O)[O-])cn1 ZINC000547568734 381486594 /nfs/dbraw/zinc/48/65/94/381486594.db2.gz NSNIPNQUOPGZRU-LLVKDONJSA-N -1 0 301.368 -0.007 20 0 DBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)N1CCCCC1 ZINC000547595950 381486641 /nfs/dbraw/zinc/48/66/41/381486641.db2.gz AWNAXZKGKCNBOA-VHSXEESVSA-N -1 0 319.383 -0.632 20 0 DBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)N1CCCCC1 ZINC000547595951 381486740 /nfs/dbraw/zinc/48/67/40/381486740.db2.gz AWNAXZKGKCNBOA-ZJUUUORDSA-N -1 0 319.383 -0.632 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000547591342 381486878 /nfs/dbraw/zinc/48/68/78/381486878.db2.gz JYLQFWDPBJUCAQ-VIFPVBQESA-N -1 0 310.372 -0.627 20 0 DBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)CC1CCC1 ZINC000547598181 381488539 /nfs/dbraw/zinc/48/85/39/381488539.db2.gz WXJYJOKCGYNRPO-VHSXEESVSA-N -1 0 304.368 -0.233 20 0 DBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000547607505 381488551 /nfs/dbraw/zinc/48/85/51/381488551.db2.gz ZKRHJFNOOWPRPI-ZMFHDSSTSA-N -1 0 311.381 -0.987 20 0 DBADRM CCCCCS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000547606833 381488645 /nfs/dbraw/zinc/48/86/45/381488645.db2.gz HEFCPBVHLOVTRB-SECBINFHSA-N -1 0 313.397 -0.310 20 0 DBADRM O=C([O-])Cn1cc(CNS(=O)(=O)C[C@@H]2CCCCO2)nn1 ZINC000547611150 381488718 /nfs/dbraw/zinc/48/87/18/381488718.db2.gz FRYLDFMMZJYYBG-JTQLQIEISA-N -1 0 318.355 -0.649 20 0 DBADRM COCc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1 ZINC000548230735 381519656 /nfs/dbraw/zinc/51/96/56/381519656.db2.gz FZAFQNNRORSJQC-UHFFFAOYSA-N -1 0 303.336 -0.099 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000548223672 381519815 /nfs/dbraw/zinc/51/98/15/381519815.db2.gz PFKZMRAPWPYUSV-ZJUUUORDSA-N -1 0 319.383 -0.762 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC000548206181 381519981 /nfs/dbraw/zinc/51/99/81/381519981.db2.gz MKPHTZRKYNWQBP-UTLUCORTSA-N -1 0 323.367 -0.527 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000548203035 381520036 /nfs/dbraw/zinc/52/00/36/381520036.db2.gz JYKURDMABQZUNE-QMMMGPOBSA-N -1 0 303.340 -0.403 20 0 DBADRM CCC[C@](C)(CO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000135383686 381499795 /nfs/dbraw/zinc/49/97/95/381499795.db2.gz JHIFFRJEDNWTLV-CQSZACIVSA-N -1 0 306.322 -0.108 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000547872395 381499912 /nfs/dbraw/zinc/49/99/12/381499912.db2.gz BAFBJUDWWGOWOT-PSASIEDQSA-N -1 0 303.340 -0.329 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](C)C(=O)[O-])cn1C ZINC000547865988 381500428 /nfs/dbraw/zinc/50/04/28/381500428.db2.gz FAHVQIALEXRHAB-ZETCQYMHSA-N -1 0 304.324 -0.189 20 0 DBADRM CCN(CC)S(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000548228721 381520106 /nfs/dbraw/zinc/52/01/06/381520106.db2.gz JVIQEMRXVCQHKI-NSHDSACASA-N -1 0 318.399 -0.160 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000547887405 381501993 /nfs/dbraw/zinc/50/19/93/381501993.db2.gz RHNDZLMJNFSWCR-GXSJLCMTSA-N -1 0 316.383 -0.266 20 0 DBADRM Cc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1N(C)C ZINC000547897790 381502221 /nfs/dbraw/zinc/50/22/21/381502221.db2.gz CYERJMCGYCDENP-NSHDSACASA-N -1 0 302.352 -0.215 20 0 DBADRM CC(C)CN(C)S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000547885092 381502355 /nfs/dbraw/zinc/50/23/55/381502355.db2.gz OTZRDUKDTSPLGI-SNVBAGLBSA-N -1 0 321.399 -0.658 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])c(C)o1 ZINC000548540588 381537638 /nfs/dbraw/zinc/53/76/38/381537638.db2.gz SMNRHYVGKWJDMY-MRVPVSSYSA-N -1 0 321.307 -0.247 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000548554192 381537944 /nfs/dbraw/zinc/53/79/44/381537944.db2.gz MGJBIICCFQVRPE-GXSJLCMTSA-N -1 0 319.383 -0.240 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)cn1 ZINC000548538322 381538008 /nfs/dbraw/zinc/53/80/08/381538008.db2.gz JFPWGWZCASJAFJ-PSASIEDQSA-N -1 0 303.340 -0.329 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)CCCF)C2)C1 ZINC000548575873 381538798 /nfs/dbraw/zinc/53/87/98/381538798.db2.gz KNVOQWXVDSHIKI-VHSXEESVSA-N -1 0 322.358 -0.317 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000548580820 381539350 /nfs/dbraw/zinc/53/93/50/381539350.db2.gz DMWWFQNLLVIFOJ-GUBZILKMSA-N -1 0 320.367 -0.854 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000548579560 381539566 /nfs/dbraw/zinc/53/95/66/381539566.db2.gz HXKNSGYMEQSVFQ-SECBINFHSA-N -1 0 309.340 -0.555 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000548566221 381539662 /nfs/dbraw/zinc/53/96/62/381539662.db2.gz AYWBOEDWDAMJLK-NGZCFLSTSA-N -1 0 322.383 -0.248 20 0 DBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)C[C@H](C)C(=O)OC ZINC000548577723 381539698 /nfs/dbraw/zinc/53/96/98/381539698.db2.gz RRFFWURYCULKIE-DTWKUNHWSA-N -1 0 311.356 -0.453 20 0 DBADRM CCn1nccc1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000548563135 381540075 /nfs/dbraw/zinc/54/00/75/381540075.db2.gz VBLLJKUJLXOSEF-UHFFFAOYSA-N -1 0 314.327 -0.942 20 0 DBADRM C[C@@H](CCC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O ZINC000548596981 381541336 /nfs/dbraw/zinc/54/13/36/381541336.db2.gz XMFNUYJPVHLXAT-QMMMGPOBSA-N -1 0 301.386 -0.406 20 0 DBADRM Nc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cc1 ZINC000548585991 381541745 /nfs/dbraw/zinc/54/17/45/381541745.db2.gz YZXGIMSIWPRGNI-GIGQVBGESA-N -1 0 318.376 -0.525 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c(C)nn(C)c1C ZINC000548241022 381521357 /nfs/dbraw/zinc/52/13/57/381521357.db2.gz KLTZGNQARSFMGU-VIFPVBQESA-N -1 0 305.356 -0.243 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000548257003 381521693 /nfs/dbraw/zinc/52/16/93/381521693.db2.gz PPGPYFJYYQODPB-RLBGWGEZSA-N -1 0 321.380 -0.767 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](C(=O)[O-])C1CCC1 ZINC000548240062 381521779 /nfs/dbraw/zinc/52/17/79/381521779.db2.gz NPGRNKVDEQYGHI-JTQLQIEISA-N -1 0 308.356 -0.431 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-] ZINC000548268995 381523297 /nfs/dbraw/zinc/52/32/97/381523297.db2.gz YTLZZBSAQDZKMP-WPRPVWTQSA-N -1 0 317.367 -0.135 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)C[C@H](C)O1 ZINC000548528917 381534950 /nfs/dbraw/zinc/53/49/50/381534950.db2.gz IARAFNPXWVFSHD-YTWAJWBKSA-N -1 0 322.383 -0.580 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000548527738 381534973 /nfs/dbraw/zinc/53/49/73/381534973.db2.gz ANNKUUUVUFNKKU-JTQLQIEISA-N -1 0 304.372 -0.172 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000548526314 381535069 /nfs/dbraw/zinc/53/50/69/381535069.db2.gz FROYQHAOQBOXOP-JTQLQIEISA-N -1 0 302.356 -0.418 20 0 DBADRM CCCN(CC1CC1)S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000548526832 381535097 /nfs/dbraw/zinc/53/50/97/381535097.db2.gz KMHMRSZSMVLWCL-UHFFFAOYSA-N -1 0 307.372 -0.856 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)CC1CCOCC1)[C@@H]1CCOC1 ZINC000548528526 381535528 /nfs/dbraw/zinc/53/55/28/381535528.db2.gz GFDVQVOOTNNTHA-MNOVXSKESA-N -1 0 307.368 -0.178 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000550937057 381575554 /nfs/dbraw/zinc/57/55/54/381575554.db2.gz ACCDBGXXRMFGIC-VIFPVBQESA-N -1 0 309.340 -0.555 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000551314421 381580810 /nfs/dbraw/zinc/58/08/10/381580810.db2.gz BLKMUESFSGDYQA-VIFPVBQESA-N -1 0 321.351 -0.555 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)[C@H]2CN3CCN2CCC3)s[n-]1 ZINC000549373079 381560237 /nfs/dbraw/zinc/56/02/37/381560237.db2.gz VHMAWXUFCUOVOW-NXEZZACHSA-N -1 0 311.411 -0.004 20 0 DBADRM C[C@@H](CNC(=O)c1c[n-]n2c1nccc2=O)CN1CCOCC1 ZINC000549763095 381565623 /nfs/dbraw/zinc/56/56/23/381565623.db2.gz GFPDVTVCTJBQGH-NSHDSACASA-N -1 0 319.365 -0.279 20 0 DBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1ccsc1 ZINC000551913366 381593284 /nfs/dbraw/zinc/59/32/84/381593284.db2.gz BPXRGOFSWGGXMP-WNWIJWBNSA-N -1 0 309.390 -0.046 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)OC ZINC000627275651 381615676 /nfs/dbraw/zinc/61/56/76/381615676.db2.gz OGYRYXNJLBAXCV-DCAQKATOSA-N -1 0 316.354 -0.667 20 0 DBADRM CS(=O)(=O)NCCC(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000146468254 381618135 /nfs/dbraw/zinc/61/81/35/381618135.db2.gz XZLXZXDEERISCH-UHFFFAOYSA-N -1 0 301.250 -0.299 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000627276444 381619667 /nfs/dbraw/zinc/61/96/67/381619667.db2.gz FNAKBAULBNYGSD-JTQLQIEISA-N -1 0 311.338 -0.763 20 0 DBADRM CN(C(=O)[C@@H]1CSCN1C(=O)CCc1nnn[n-]1)C1CC1 ZINC000630867996 381624029 /nfs/dbraw/zinc/62/40/29/381624029.db2.gz NSAGONYEWRVBPD-VIFPVBQESA-N -1 0 310.383 -0.345 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)Cn1nc2ccccn2c1=O)C1CC1 ZINC000262579899 381628552 /nfs/dbraw/zinc/62/85/52/381628552.db2.gz FJESMKDMVPECJL-SECBINFHSA-N -1 0 304.306 -0.040 20 0 DBADRM O=C([O-])c1cccc(C(=O)NCCN2CCCS2(=O)=O)n1 ZINC000262606679 381629480 /nfs/dbraw/zinc/62/94/80/381629480.db2.gz KOFYRCXKFMBKBN-UHFFFAOYSA-N -1 0 313.335 -0.455 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000566300945 381648489 /nfs/dbraw/zinc/64/84/89/381648489.db2.gz PIDCMRRRXSSDCH-QMMMGPOBSA-N -1 0 307.306 -0.049 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC000566299914 381648721 /nfs/dbraw/zinc/64/87/21/381648721.db2.gz CKTJVPBALUPURM-SECBINFHSA-N -1 0 304.368 -0.361 20 0 DBADRM COCCOC1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000566174152 381639977 /nfs/dbraw/zinc/63/99/77/381639977.db2.gz QQTHNMLTMVCQOL-UHFFFAOYSA-N -1 0 322.383 -0.625 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cccnc1C(=O)[O-] ZINC000566177103 381640579 /nfs/dbraw/zinc/64/05/79/381640579.db2.gz MUSWCSXGPOJWOT-ZETCQYMHSA-N -1 0 322.364 -0.509 20 0 DBADRM Cc1nc(C(C)(C)NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])no1 ZINC000566176570 381640619 /nfs/dbraw/zinc/64/06/19/381640619.db2.gz JAGFBZWPDFTWCY-QMMMGPOBSA-N -1 0 318.355 -0.003 20 0 DBADRM C[C@@H](CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000567804654 381714057 /nfs/dbraw/zinc/71/40/57/381714057.db2.gz RXBNGPLSOLAKSG-QMMMGPOBSA-N -1 0 315.413 -0.160 20 0 DBADRM O=c1[n-]c([C@H]2CCCN(CCN3CCCS3(=O)=O)C2)n[nH]1 ZINC000567391352 381695151 /nfs/dbraw/zinc/69/51/51/381695151.db2.gz BIQUXKVTSWSBBH-JTQLQIEISA-N -1 0 315.399 -0.275 20 0 DBADRM CC[C@@H](C)C[C@@H](NC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC000567504193 381699459 /nfs/dbraw/zinc/69/94/59/381699459.db2.gz FQSLZDGIXIOPTD-NXEZZACHSA-N -1 0 321.337 -0.103 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)CCOCC1CC1)[C@H]1CCOC1 ZINC000567581782 381701699 /nfs/dbraw/zinc/70/16/99/381701699.db2.gz PTYROKGFAHJRBJ-WDEREUQCSA-N -1 0 307.368 -0.178 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)CCOCC1CC1)[C@@H]1CCOC1 ZINC000567581779 381702564 /nfs/dbraw/zinc/70/25/64/381702564.db2.gz PTYROKGFAHJRBJ-GHMZBOCLSA-N -1 0 307.368 -0.178 20 0 DBADRM CCc1ncc(S(=O)(=O)NCCc2nc(=O)o[n-]2)s1 ZINC000567970601 381728311 /nfs/dbraw/zinc/72/83/11/381728311.db2.gz JGJMUPNUPQQEGC-UHFFFAOYSA-N -1 0 304.353 -0.097 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C2(C(=O)[O-])CCOCC2)CC1=O ZINC000567970093 381729231 /nfs/dbraw/zinc/72/92/31/381729231.db2.gz HCWKCBJYWUUMPC-GMTAPVOTSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)CC2(O)CCC2)C[C@H]1C(=O)[O-] ZINC000568391644 381758543 /nfs/dbraw/zinc/75/85/43/381758543.db2.gz IAJZHNWJIIJZRF-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(Cc2nnn(CC(F)(F)F)n2)C1 ZINC000568067482 381734939 /nfs/dbraw/zinc/73/49/39/381734939.db2.gz WMSZHVJFFSLOOI-RQJHMYQMSA-N -1 0 309.248 -0.091 20 0 DBADRM COC[C@@H](NC(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000158805733 381754077 /nfs/dbraw/zinc/75/40/77/381754077.db2.gz KLVYCRNGUBEHAS-SECBINFHSA-N -1 0 317.323 -0.445 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000567844668 381718518 /nfs/dbraw/zinc/71/85/18/381718518.db2.gz XNFUBDGWNWEKEM-DTWKUNHWSA-N -1 0 322.383 -0.547 20 0 DBADRM C[C@@](O)(CNC(=O)CNC(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000567863373 381720257 /nfs/dbraw/zinc/72/02/57/381720257.db2.gz MFXLLTNHIKTTOD-CYBMUJFWSA-N -1 0 316.260 -0.354 20 0 DBADRM CC(C)CN(CC(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000063142750 184273914 /nfs/dbraw/zinc/27/39/14/184273914.db2.gz NPZNWWLGGNAOMR-UHFFFAOYSA-N -1 0 301.386 -0.597 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000569063100 381785101 /nfs/dbraw/zinc/78/51/01/381785101.db2.gz PQTRTKNNQSSTBL-SECBINFHSA-N -1 0 313.397 -0.310 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C ZINC000569059053 381785660 /nfs/dbraw/zinc/78/56/60/381785660.db2.gz GVMHEZBLPRWZRG-SECBINFHSA-N -1 0 310.372 -0.185 20 0 DBADRM COCCOC1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000569177170 381788979 /nfs/dbraw/zinc/78/89/79/381788979.db2.gz WJMURYJSJWMYIX-UHFFFAOYSA-N -1 0 304.324 -0.251 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-] ZINC000569231937 381792415 /nfs/dbraw/zinc/79/24/15/381792415.db2.gz ATBDHXDBUHYNEA-WDEREUQCSA-N -1 0 309.384 -0.053 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CCO1 ZINC000568507200 381762251 /nfs/dbraw/zinc/76/22/51/381762251.db2.gz LRRXAIPZTXFIRU-VIFPVBQESA-N -1 0 316.335 -0.184 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@]2(C)CO)C[C@H]1C(=O)[O-] ZINC000568628750 381768152 /nfs/dbraw/zinc/76/81/52/381768152.db2.gz YVVDOZDGLVPSCE-HFAKWTLXSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CCCc2nc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cn21 ZINC000568663667 381770091 /nfs/dbraw/zinc/77/00/91/381770091.db2.gz FBHQXKDDODLBBS-HTQZYQBOSA-N -1 0 303.340 -0.496 20 0 DBADRM O=C([O-])Cn1cc(CNS(=O)(=O)c2cccc(F)c2)nn1 ZINC000167250898 381820562 /nfs/dbraw/zinc/82/05/62/381820562.db2.gz QJLHVVIQTGAQCN-UHFFFAOYSA-N -1 0 314.298 -0.020 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000167253873 381822752 /nfs/dbraw/zinc/82/27/52/381822752.db2.gz KFLJXIYCYXRQGT-UHFFFAOYSA-N -1 0 314.327 -0.819 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)[C@H]1C(=O)[O-] ZINC000299899607 381824690 /nfs/dbraw/zinc/82/46/90/381824690.db2.gz BENQMQGKNFPHIA-GMSGAONNSA-N -1 0 315.351 -0.392 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCC(C)(C)C(=O)[O-] ZINC000164868473 381805036 /nfs/dbraw/zinc/80/50/36/381805036.db2.gz ZAKPZRKIJNRVTR-VIFPVBQESA-N -1 0 322.383 -0.041 20 0 DBADRM C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000165141348 381805203 /nfs/dbraw/zinc/80/52/03/381805203.db2.gz OAHGLCCQEQQPPW-KXUCPTDWSA-N -1 0 306.384 -0.007 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCC(C)(C)C(=O)[O-] ZINC000164868594 381805415 /nfs/dbraw/zinc/80/54/15/381805415.db2.gz ZAKPZRKIJNRVTR-SECBINFHSA-N -1 0 322.383 -0.041 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@@H]1CCOC1)[C@@H]1CCCOC1 ZINC000572993231 381810277 /nfs/dbraw/zinc/81/02/77/381810277.db2.gz UVMMLLIHWVSYLF-GMTAPVOTSA-N -1 0 307.368 -0.178 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000573115608 381814845 /nfs/dbraw/zinc/81/48/45/381814845.db2.gz FANLDYDALRUPAJ-VDAHYXPESA-N -1 0 301.324 -0.046 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)[C@@H]1CO ZINC000574799931 381878579 /nfs/dbraw/zinc/87/85/79/381878579.db2.gz ZAOCVOGAMVNQJR-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM Cc1cn2c(ncc(C(=O)NC[C@@](C)(O)C(=O)[O-])c2=O)s1 ZINC000574082972 381852076 /nfs/dbraw/zinc/85/20/76/381852076.db2.gz WVBPUWHTGRUBRG-GFCCVEGCSA-N -1 0 311.319 -0.370 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])c1 ZINC000168811408 381856440 /nfs/dbraw/zinc/85/64/40/381856440.db2.gz QBKGJMPQOSBIHQ-QMMMGPOBSA-N -1 0 319.339 -0.412 20 0 DBADRM CNC(=O)[C@@H](CNC(=O)C(=O)[O-])Cc1ccc(OC)c(F)c1 ZINC000574637730 381871329 /nfs/dbraw/zinc/87/13/29/381871329.db2.gz IDJVULBTSSRAAI-SECBINFHSA-N -1 0 312.297 -0.060 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)NC2(C(=O)[O-])CC2)CC1 ZINC000575150936 381886977 /nfs/dbraw/zinc/88/69/77/381886977.db2.gz RGHLHPYQUXAHLP-UHFFFAOYSA-N -1 0 319.383 -0.283 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C2(c3cccnc3)CC2)CCS1(=O)=O ZINC000574630176 381872414 /nfs/dbraw/zinc/87/24/14/381872414.db2.gz MTKAQGONVQIGDS-NSHDSACASA-N -1 0 324.358 -0.177 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2CCOC[C@H](O)C2)c1 ZINC000574691816 381873870 /nfs/dbraw/zinc/87/38/70/381873870.db2.gz SJCJZYXURKBRCC-LLVKDONJSA-N -1 0 308.290 -0.457 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(C)cnn2C)C1 ZINC000576030223 381909197 /nfs/dbraw/zinc/90/91/97/381909197.db2.gz RQMXFHVUBLSOQO-GFCCVEGCSA-N -1 0 317.367 -0.160 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)CSCC(=O)[O-] ZINC000576279118 381918589 /nfs/dbraw/zinc/91/85/89/381918589.db2.gz IASVQJYLQGCJGG-BDAKNGLRSA-N -1 0 324.424 -0.362 20 0 DBADRM COCCCS(=O)(=O)NCCN1C[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000576353072 381920284 /nfs/dbraw/zinc/92/02/84/381920284.db2.gz PDSVWUZOJLDUKE-GHMZBOCLSA-N -1 0 324.399 -0.884 20 0 DBADRM COCCCS(=O)(=O)NCCN1C[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000576353074 381921073 /nfs/dbraw/zinc/92/10/73/381921073.db2.gz PDSVWUZOJLDUKE-QWRGUYRKSA-N -1 0 324.399 -0.884 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000576391307 381923637 /nfs/dbraw/zinc/92/36/37/381923637.db2.gz RVLURHQUUVAJLC-KOLCDFICSA-N -1 0 317.367 -0.113 20 0 DBADRM COCC1(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])CC1 ZINC000577735978 381973141 /nfs/dbraw/zinc/97/31/41/381973141.db2.gz YHEMLXKUIHJUOS-SNVBAGLBSA-N -1 0 317.367 -0.486 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCc2cncnc2C1 ZINC000577489782 381963797 /nfs/dbraw/zinc/96/37/97/381963797.db2.gz XYQZEMOWEJEIEZ-UHFFFAOYSA-N -1 0 309.307 -0.355 20 0 DBADRM C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)CCCS(C)(=O)=O ZINC000576751910 381933983 /nfs/dbraw/zinc/93/39/83/381933983.db2.gz RSKQPONWEHKMAA-SFYZADRCSA-N -1 0 301.386 -0.550 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cn(C)c(C)n1 ZINC000576820359 381937480 /nfs/dbraw/zinc/93/74/80/381937480.db2.gz SQLUUJHAKILENS-NSHDSACASA-N -1 0 305.356 -0.113 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000576940348 381941516 /nfs/dbraw/zinc/94/15/16/381941516.db2.gz MANTXHNNSRADNA-SECBINFHSA-N -1 0 316.335 -0.046 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@H](CC(=O)CC)C(=O)[O-] ZINC000577038508 381945902 /nfs/dbraw/zinc/94/59/02/381945902.db2.gz JYNVRPTWRIJSRX-SECBINFHSA-N -1 0 309.340 -0.319 20 0 DBADRM CN(C)c1ncccc1CNC(=O)C(=O)NCCCC(=O)[O-] ZINC000578132804 381995969 /nfs/dbraw/zinc/99/59/69/381995969.db2.gz YKKFTAQVLDZXPR-UHFFFAOYSA-N -1 0 308.338 -0.255 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000578132145 381996255 /nfs/dbraw/zinc/99/62/55/381996255.db2.gz PLNMAMDVDLSNSK-UWVGGRQHSA-N -1 0 306.384 -0.259 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C(=O)[O-])c[nH]1 ZINC000578132818 381996303 /nfs/dbraw/zinc/99/63/03/381996303.db2.gz ZCBRKKFRKLMOEL-BYULHYEWSA-N -1 0 303.340 -0.031 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-] ZINC000578157494 381999807 /nfs/dbraw/zinc/99/98/07/381999807.db2.gz WFCBFEVMWKROGK-SECBINFHSA-N -1 0 308.356 -0.431 20 0 DBADRM COC(C)(C)CS(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000578366280 382012896 /nfs/dbraw/zinc/01/28/96/382012896.db2.gz UXICKLWCPMIOQT-VIFPVBQESA-N -1 0 322.383 -0.736 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000578070299 381988871 /nfs/dbraw/zinc/98/88/71/381988871.db2.gz ORZWXRVEHZPLGV-JTQLQIEISA-N -1 0 321.337 -0.578 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])CCO1 ZINC000578984607 382045156 /nfs/dbraw/zinc/04/51/56/382045156.db2.gz IRNGMQASGZXMPJ-SSDOTTSWSA-N -1 0 322.364 -0.123 20 0 DBADRM C[C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC000579231338 382055435 /nfs/dbraw/zinc/05/54/35/382055435.db2.gz BCLPSXAGJWIZIP-NXEZZACHSA-N -1 0 311.338 -0.112 20 0 DBADRM C[C@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C[C@@H]1C(=O)[O-] ZINC000579231339 382055678 /nfs/dbraw/zinc/05/56/78/382055678.db2.gz BCLPSXAGJWIZIP-UWVGGRQHSA-N -1 0 311.338 -0.112 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2nc[nH]n2)C[C@H]1C(=O)[O-] ZINC000579239635 382055978 /nfs/dbraw/zinc/05/59/78/382055978.db2.gz HBIYJRJDBYYDLQ-RKDXNWHRSA-N -1 0 309.326 -0.668 20 0 DBADRM Cc1cc(N2CCN(C(=O)[C@H](C)C(=O)[O-])CC2)n2ncnc2n1 ZINC000579473749 382069834 /nfs/dbraw/zinc/06/98/34/382069834.db2.gz KFBRREPZNQAHAE-JTQLQIEISA-N -1 0 318.337 -0.198 20 0 DBADRM CO[C@H](CS(=O)(=O)NCc1cn(CC(=O)[O-])nn1)C1CC1 ZINC000578624027 382026085 /nfs/dbraw/zinc/02/60/85/382026085.db2.gz VLZCTOZJZIXIQQ-SNVBAGLBSA-N -1 0 318.355 -0.793 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000578895717 382039911 /nfs/dbraw/zinc/03/99/11/382039911.db2.gz NLVSKRXMIPQELT-LLVKDONJSA-N -1 0 309.370 -0.063 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000579952426 382102294 /nfs/dbraw/zinc/10/22/94/382102294.db2.gz AYFKSMCWVRUGDK-LLVKDONJSA-N -1 0 308.338 -0.145 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NC[C@H]1COCCO1 ZINC000579954043 382102842 /nfs/dbraw/zinc/10/28/42/382102842.db2.gz ZGOLDFBKHNRWBN-LURJTMIESA-N -1 0 308.337 -0.465 20 0 DBADRM CCCN(C(=O)NCCCS(C)(=O)=O)[C@@H](COC)C(=O)[O-] ZINC000580767536 382112150 /nfs/dbraw/zinc/11/21/50/382112150.db2.gz ZIGLXPUMBXZIKF-JTQLQIEISA-N -1 0 324.399 -0.058 20 0 DBADRM Cc1cc(F)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])c(F)c1 ZINC000580887360 382116587 /nfs/dbraw/zinc/11/65/87/382116587.db2.gz SKYFRPKOATUYST-UHFFFAOYSA-N -1 0 322.289 -0.248 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000580952306 382121296 /nfs/dbraw/zinc/12/12/96/382121296.db2.gz WREPFLZRNRTCFW-VIFPVBQESA-N -1 0 307.310 -0.920 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000579668328 382083023 /nfs/dbraw/zinc/08/30/23/382083023.db2.gz ZDNTXGBUFQKOOH-MWLCHTKSSA-N -1 0 311.342 -0.154 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOCC3(CC3)C2)C1 ZINC000579702109 382088221 /nfs/dbraw/zinc/08/82/21/382088221.db2.gz YKLHWJXZVXOVJT-CQSZACIVSA-N -1 0 310.350 -0.051 20 0 DBADRM C[C@H]1CCN(C(=O)NCCN2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC000579948558 382101572 /nfs/dbraw/zinc/10/15/72/382101572.db2.gz LXWUYRGYYWNSRB-DTWKUNHWSA-N -1 0 312.326 -0.710 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NC[C@@H]1COCCO1 ZINC000579954044 382101923 /nfs/dbraw/zinc/10/19/23/382101923.db2.gz ZGOLDFBKHNRWBN-ZCFIWIBFSA-N -1 0 308.337 -0.465 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000581763471 382174139 /nfs/dbraw/zinc/17/41/39/382174139.db2.gz RIJATNPFLFETCR-KOLCDFICSA-N -1 0 323.367 -0.167 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000581129490 382130826 /nfs/dbraw/zinc/13/08/26/382130826.db2.gz WCJHBIZAMISGFP-OUAUKWLOSA-N -1 0 322.383 -0.436 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)C1 ZINC000581585778 382159054 /nfs/dbraw/zinc/15/90/54/382159054.db2.gz SYRQRYXCTAWXQS-MDZLAQPJSA-N -1 0 318.395 -0.004 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCN2C(=O)CCC2=O)C[C@H]1C(=O)[O-] ZINC000581605957 382160528 /nfs/dbraw/zinc/16/05/28/382160528.db2.gz JJMHRBQQRCENAV-NXEZZACHSA-N -1 0 311.338 -0.112 20 0 DBADRM O=C(c1nn(-c2ccccc2F)cc1[O-])N1CC(O)(CO)C1 ZINC000615430531 382165560 /nfs/dbraw/zinc/16/55/60/382165560.db2.gz UZXSJBDWCBJLCF-UHFFFAOYSA-N -1 0 307.281 -0.104 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000581726913 382172361 /nfs/dbraw/zinc/17/23/61/382172361.db2.gz QPVVEARDNFQPIW-HBNTYKKESA-N -1 0 323.353 -0.648 20 0 DBADRM CCC(CC)(CNC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)C(=O)[O-] ZINC000386716666 382196344 /nfs/dbraw/zinc/19/63/44/382196344.db2.gz YXMJQHDCZWUPBN-DTORHVGOSA-N -1 0 311.338 -0.209 20 0 DBADRM CC(C)CN1C[C@H](C(=O)N2CCC(O)(C(=O)[O-])CC2)CC1=O ZINC000386718652 382197131 /nfs/dbraw/zinc/19/71/31/382197131.db2.gz YWRNLXZGTWTFFA-LLVKDONJSA-N -1 0 312.366 -0.071 20 0 DBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000581987545 382201572 /nfs/dbraw/zinc/20/15/72/382201572.db2.gz KFABLQHWTSKFGW-AATLWQCWSA-N -1 0 323.367 -0.528 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000581987548 382201601 /nfs/dbraw/zinc/20/16/01/382201601.db2.gz KFABLQHWTSKFGW-SGIHWFKDSA-N -1 0 323.367 -0.528 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000581997067 382206123 /nfs/dbraw/zinc/20/61/23/382206123.db2.gz NMNUDTIIMVISKF-RYUDHWBXSA-N -1 0 310.350 -0.053 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000627277966 382212966 /nfs/dbraw/zinc/21/29/66/382212966.db2.gz DRDAABQZYKMDLL-UHFFFAOYSA-N -1 0 311.342 -0.469 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000627277367 382214202 /nfs/dbraw/zinc/21/42/02/382214202.db2.gz HGEWLJUIOZSPJI-LBPRGKRZSA-N -1 0 306.318 -0.165 20 0 DBADRM CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000627279940 382215491 /nfs/dbraw/zinc/21/54/91/382215491.db2.gz WRRCMAMVQUIVHA-KOLCDFICSA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CCC2)C1=O)C(=O)[O-] ZINC000627279075 382216211 /nfs/dbraw/zinc/21/62/11/382216211.db2.gz GGTJCKFTAHRIGO-WPRPVWTQSA-N -1 0 311.338 -0.907 20 0 DBADRM CN1CCC[C@@H](NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1=O ZINC000627282430 382223958 /nfs/dbraw/zinc/22/39/58/382223958.db2.gz BIPHHWPBOSXORN-SNVBAGLBSA-N -1 0 311.338 -0.953 20 0 DBADRM Cc1ncccc1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000627282788 382227551 /nfs/dbraw/zinc/22/75/51/382227551.db2.gz KNQYOQMCDLSQNV-LLVKDONJSA-N -1 0 307.306 -0.682 20 0 DBADRM C[C@@H]1CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC(=O)N1 ZINC000615853331 382280379 /nfs/dbraw/zinc/28/03/79/382280379.db2.gz AZPPINATDBJFIL-MRVPVSSYSA-N -1 0 302.290 -0.010 20 0 DBADRM CCOC(=O)CCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000068919251 382313113 /nfs/dbraw/zinc/31/31/13/382313113.db2.gz FOOBWCKXEGIFPV-UHFFFAOYSA-N -1 0 306.278 -0.293 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCN(C)C(=O)C2)cc1C(=O)[O-] ZINC000084199397 382327522 /nfs/dbraw/zinc/32/75/22/382327522.db2.gz FLTTYQMWLVNBIH-UHFFFAOYSA-N -1 0 315.351 -0.331 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)cn2C)C[C@H]1C(=O)[O-] ZINC000111249042 382327536 /nfs/dbraw/zinc/32/75/36/382327536.db2.gz NPGCROPRAKEAGO-VXNVDRBHSA-N -1 0 315.351 -0.535 20 0 DBADRM Cn1cc(S(=O)(=O)NC(C)(C)CC(=O)[O-])cc1C(N)=O ZINC000084147220 382327563 /nfs/dbraw/zinc/32/75/63/382327563.db2.gz PRUCBEPEVLMCCE-UHFFFAOYSA-N -1 0 303.340 -0.344 20 0 DBADRM CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(=O)NC ZINC000616144512 382337342 /nfs/dbraw/zinc/33/73/42/382337342.db2.gz GFSKHJFPBYBEAN-VIFPVBQESA-N -1 0 315.351 -0.706 20 0 DBADRM CCN(CC(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000400134247 382389943 /nfs/dbraw/zinc/38/99/43/382389943.db2.gz SCYGWEBFCHNISS-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC000400199997 382390501 /nfs/dbraw/zinc/39/05/01/382390501.db2.gz FAXXAWZZIOCSMV-DTWKUNHWSA-N -1 0 319.383 -0.333 20 0 DBADRM CCCC[C@@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400302657 382391518 /nfs/dbraw/zinc/39/15/18/382391518.db2.gz QAIVOTLBBIBCMU-NXEZZACHSA-N -1 0 321.399 -0.037 20 0 DBADRM COc1ccc(CNC(=O)CNC(=O)c2n[nH]c(=O)[n-]2)cc1 ZINC000620312678 382443529 /nfs/dbraw/zinc/44/35/29/382443529.db2.gz TZVGEQIHVUYYGN-UHFFFAOYSA-N -1 0 305.294 -0.435 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2CCSC[C@H](C(=O)[O-])C2)c1=O ZINC000621604767 382492941 /nfs/dbraw/zinc/49/29/41/382492941.db2.gz NZTXOQXWRROIMN-SSDOTTSWSA-N -1 0 313.335 -0.624 20 0 DBADRM CN(CC(=O)NCC1(CC(=O)[O-])CCOCC1)S(C)(=O)=O ZINC000621594663 382490501 /nfs/dbraw/zinc/49/05/01/382490501.db2.gz HEQDDLAYGVFPAD-UHFFFAOYSA-N -1 0 322.383 -0.735 20 0 DBADRM CN1CC[C@@H](C(=O)N(CC(=O)[O-])C2CCCC2)S1(=O)=O ZINC000621576674 382490558 /nfs/dbraw/zinc/49/05/58/382490558.db2.gz XQIGFFQVSQINAG-JTQLQIEISA-N -1 0 304.368 -0.124 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCC2(C(=O)[O-])CC2)c1 ZINC000621572618 382490629 /nfs/dbraw/zinc/49/06/29/382490629.db2.gz RZSODJBEBRSXOS-UHFFFAOYSA-N -1 0 315.351 -0.140 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N(CC(=O)[O-])C2CCCC2)nn1 ZINC000621575260 382491107 /nfs/dbraw/zinc/49/11/07/382491107.db2.gz UFIQVXAMEUHFFM-UHFFFAOYSA-N -1 0 323.353 -0.164 20 0 DBADRM O=C([O-])c1cccc2c1CCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC000621579952 382491355 /nfs/dbraw/zinc/49/13/55/382491355.db2.gz GXLQFFVENJZRBS-GFCCVEGCSA-N -1 0 324.358 -0.039 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H]1OC ZINC000621954017 382529115 /nfs/dbraw/zinc/52/91/15/382529115.db2.gz FGNBHXCUQRTYEH-FOGDFJRCSA-N -1 0 306.322 -0.055 20 0 DBADRM Cc1cnc2nc(C(=O)NCCCc3n[nH]c(=O)[n-]3)nn2c1 ZINC000621894434 382522194 /nfs/dbraw/zinc/52/21/94/382522194.db2.gz PHXPIPCABBXPGG-UHFFFAOYSA-N -1 0 302.298 -0.381 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1CC(C(=O)[O-])C1 ZINC000621829227 382511405 /nfs/dbraw/zinc/51/14/05/382511405.db2.gz MOBBDHGGVPEUCZ-UHFFFAOYSA-N -1 0 307.372 -0.616 20 0 DBADRM O=C([O-])C1CN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000621831814 382512555 /nfs/dbraw/zinc/51/25/55/382512555.db2.gz YJFIECAJKYVYEW-NSHDSACASA-N -1 0 311.338 -0.508 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000621836298 382512751 /nfs/dbraw/zinc/51/27/51/382512751.db2.gz CSERTUJLNLHIRF-GHMZBOCLSA-N -1 0 311.338 -0.953 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CC(C(=O)[O-])C1 ZINC000621834520 382512791 /nfs/dbraw/zinc/51/27/91/382512791.db2.gz LNVCYCFKJLZEIV-JTQLQIEISA-N -1 0 319.383 -0.474 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CC(C(=O)[O-])C1 ZINC000621832225 382512806 /nfs/dbraw/zinc/51/28/06/382512806.db2.gz MPWPLINJMXEGHI-SECBINFHSA-N -1 0 305.356 -0.864 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)CC1=O ZINC000621839496 382514059 /nfs/dbraw/zinc/51/40/59/382514059.db2.gz UGWIRTSYAFLSNL-VIFPVBQESA-N -1 0 303.322 -0.238 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000621837926 382514370 /nfs/dbraw/zinc/51/43/70/382514370.db2.gz UEDWEWKKKOAELR-JTNHKYCSSA-N -1 0 311.338 -0.650 20 0 DBADRM O=C(CN1CCO[C@@H](C(=O)[O-])C1)NC(=O)NC1CCCCC1 ZINC000314808354 382541887 /nfs/dbraw/zinc/54/18/87/382541887.db2.gz MUXTYPQKVNXDAC-LLVKDONJSA-N -1 0 313.354 -0.070 20 0 DBADRM CC(CO)(CO)CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000622067366 382543791 /nfs/dbraw/zinc/54/37/91/382543791.db2.gz DCTRVPFIPKXLOR-UHFFFAOYSA-N -1 0 307.306 -0.249 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1nnnn1C ZINC000622524417 382570880 /nfs/dbraw/zinc/57/08/80/382570880.db2.gz SZKOMGDZXNNOHW-UHFFFAOYSA-N -1 0 324.366 -0.098 20 0 DBADRM CN(C)C(=O)CCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000624248346 382607813 /nfs/dbraw/zinc/60/78/13/382607813.db2.gz IANZZWWNJFIMAR-UHFFFAOYSA-N -1 0 314.367 -0.339 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CCO1 ZINC000133366371 382642868 /nfs/dbraw/zinc/64/28/68/382642868.db2.gz DMKWGWAQFNWQPM-UWVGGRQHSA-N -1 0 302.327 -0.073 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NCc2ncn(C)n2)cc1 ZINC000631188507 382646587 /nfs/dbraw/zinc/64/65/87/382646587.db2.gz QOMVSOPOOXRBHF-UHFFFAOYSA-N -1 0 300.326 -0.108 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NC[C@@H]2COCCN2C)cc1 ZINC000631404569 382647577 /nfs/dbraw/zinc/64/75/77/382647577.db2.gz WNORAAMHQIWIAL-CYBMUJFWSA-N -1 0 318.381 -0.106 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=N[C@@H]2CCOC[C@H]2O)cc1 ZINC000631391449 382647860 /nfs/dbraw/zinc/64/78/60/382647860.db2.gz JOHFTJZMAIZFSW-CHWSQXEVSA-N -1 0 305.338 -0.286 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000631834714 382652025 /nfs/dbraw/zinc/65/20/25/382652025.db2.gz DKMBTFPQOIWABH-RYUDHWBXSA-N -1 0 308.386 -0.108 20 0 DBADRM O=S(=O)(c1cc([O-])cc(F)c1)N1CCS(=O)(=O)CC1 ZINC000631893060 382652792 /nfs/dbraw/zinc/65/27/92/382652792.db2.gz FTPGVSLGWJYBKH-UHFFFAOYSA-N -1 0 309.340 -0.050 20 0 DBADRM O=S(=O)(NC[C@@H]1CN2CCN1CC2)c1cc([O-])cc(F)c1 ZINC000632129150 382662135 /nfs/dbraw/zinc/66/21/35/382662135.db2.gz FRQPTVPCDBBWJS-LLVKDONJSA-N -1 0 315.370 -0.191 20 0 DBADRM O=C(CNS(=O)(=O)C[C@H]1CCC1(F)F)N1CCOCC1 ZINC000632184478 382663509 /nfs/dbraw/zinc/66/35/09/382663509.db2.gz HUDKJSAIZRSHDP-SECBINFHSA-N -1 0 312.338 -0.190 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000632192315 382663704 /nfs/dbraw/zinc/66/37/04/382663704.db2.gz ZLJOSKOSGVXGEM-WDEREUQCSA-N -1 0 300.384 -0.371 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000633642138 382687971 /nfs/dbraw/zinc/68/79/71/382687971.db2.gz UNPVWBIWATWLRS-VXGBXAGGSA-N -1 0 320.397 -0.108 20 0 DBADRM O=S(=O)(c1cc([O-])cc(F)c1)N1CC[C@H](O)[C@H](CO)C1 ZINC000632461029 382671056 /nfs/dbraw/zinc/67/10/56/382671056.db2.gz JMEJGZOIUQFWRD-UFBFGSQYSA-N -1 0 305.327 -0.105 20 0 DBADRM COCCN(C[C@@H](O)C(F)(F)F)S(=O)(=O)c1ncc[n-]1 ZINC000632536767 382672909 /nfs/dbraw/zinc/67/29/09/382672909.db2.gz SSKYIGQZNWAFHU-SSDOTTSWSA-N -1 0 317.289 -0.030 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC000632707746 382676748 /nfs/dbraw/zinc/67/67/48/382676748.db2.gz VPGTXNNGUOFPCE-NXEZZACHSA-N -1 0 302.352 -0.092 20 0 DBADRM COCCN(C)C(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000633062873 382680805 /nfs/dbraw/zinc/68/08/05/382680805.db2.gz QVKNXXRHOPWWIL-ZDUSSCGKSA-N -1 0 302.327 -0.959 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)[C@H]2CCOC2)C1 ZINC000633065049 382680824 /nfs/dbraw/zinc/68/08/24/382680824.db2.gz XONRAYHACKUBIN-HZMBPMFUSA-N -1 0 314.338 -0.817 20 0 DBADRM Cc1cn2c(n1)CN(C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)CC2 ZINC000633066201 382680878 /nfs/dbraw/zinc/68/08/78/382680878.db2.gz DLBXJWIFUIEVIH-NSHDSACASA-N -1 0 320.349 -0.143 20 0 DBADRM CC(C)N1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000633073070 382680939 /nfs/dbraw/zinc/68/09/39/382680939.db2.gz RNSLKAIIEFMUAO-LBPRGKRZSA-N -1 0 311.382 -0.138 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)C[C@@H](C)OC)C1 ZINC000633073672 382681211 /nfs/dbraw/zinc/68/12/11/382681211.db2.gz XIWWDPDLYXJIQL-YGRLFVJLSA-N -1 0 316.354 -0.571 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCc2nnc[nH]2)cn1 ZINC000627556986 382637151 /nfs/dbraw/zinc/63/71/51/382637151.db2.gz LDQZLXRUALHBJR-UHFFFAOYSA-N -1 0 310.339 -0.456 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC(=O)N1 ZINC000627633854 382638922 /nfs/dbraw/zinc/63/89/22/382638922.db2.gz UHPNZMBMTNIGNZ-MRVPVSSYSA-N -1 0 312.351 -0.586 20 0 DBADRM CN(C)c1ncc(CN(C)C(=O)c2cnc([O-])n(C)c2=O)cn1 ZINC000356965907 220687300 /nfs/dbraw/zinc/68/73/00/220687300.db2.gz LOUKXQFOVIJSFA-UHFFFAOYSA-N -1 0 318.337 -0.386 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)CCn2ccnn2)C1=O ZINC000358461991 220761870 /nfs/dbraw/zinc/76/18/70/220761870.db2.gz GZINXDCCYVRXAA-ZYHUDNBSSA-N -1 0 323.353 -0.506 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000367173485 220862542 /nfs/dbraw/zinc/86/25/42/220862542.db2.gz LVUPUYCNVRTVPK-HLTSFMKQSA-N -1 0 309.340 -0.701 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000271345124 129904927 /nfs/dbraw/zinc/90/49/27/129904927.db2.gz DDUHSBRTJYUTOF-CYBMUJFWSA-N -1 0 311.313 -0.268 20 0 DBADRM NC(=O)CO[N-]C(=O)CNC(=O)NCc1ccc(Cl)cc1 ZINC000272304816 130019421 /nfs/dbraw/zinc/01/94/21/130019421.db2.gz XFDXJYRJGQIPLF-UHFFFAOYSA-N -1 0 314.729 -0.328 20 0 DBADRM O=C(CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)NCC1CC1 ZINC000272515792 130037529 /nfs/dbraw/zinc/03/75/29/130037529.db2.gz RCNRBSRFZUPTLO-UHFFFAOYSA-N -1 0 317.305 -0.308 20 0 DBADRM CCC[C@@H](NC(=O)c1cccn2c(=O)[nH]nc12)c1nnn[n-]1 ZINC000272548510 130041073 /nfs/dbraw/zinc/04/10/73/130041073.db2.gz AMKLNVKTYFLQKO-MRVPVSSYSA-N -1 0 302.298 -0.193 20 0 DBADRM CN(CC(N)=O)S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000273769556 130164620 /nfs/dbraw/zinc/16/46/20/130164620.db2.gz XLVSQROVFUKDAE-UHFFFAOYSA-N -1 0 320.298 -0.605 20 0 DBADRM CO[C@@H](C)c1noc(CN2CCCN(C(=O)C(=O)[O-])CC2)n1 ZINC000274137640 130209287 /nfs/dbraw/zinc/20/92/87/130209287.db2.gz GIEFEUQUFFTZNO-VIFPVBQESA-N -1 0 312.326 -0.104 20 0 DBADRM COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)[O-])C2)cc1 ZINC000274207148 130215744 /nfs/dbraw/zinc/21/57/44/130215744.db2.gz VSZSCQPAPITNNA-UHFFFAOYSA-N -1 0 314.319 -0.731 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)CNC(=O)c1cccc(O)c1 ZINC000274460630 130237525 /nfs/dbraw/zinc/23/75/25/130237525.db2.gz JWIQUCMSMYMHAH-GFCCVEGCSA-N -1 0 321.377 -0.041 20 0 DBADRM CC[N@H+](CCO)CCNC(=O)c1coc(S(=O)(=O)NC)c1 ZINC000274537103 130244445 /nfs/dbraw/zinc/24/44/45/130244445.db2.gz KAKTUXRXGRAFDA-UHFFFAOYSA-N -1 0 319.383 -0.768 20 0 DBADRM COCc1cccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1 ZINC000274892056 130269954 /nfs/dbraw/zinc/26/99/54/130269954.db2.gz GCHPTGGVLROLGB-LLVKDONJSA-N -1 0 303.336 -0.053 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(C)c1F ZINC000274906477 130272163 /nfs/dbraw/zinc/27/21/63/130272163.db2.gz JLNQIPHISJLCFF-SSDOTTSWSA-N -1 0 307.299 -0.133 20 0 DBADRM C[C@@H]1Cc2cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])ccc2O1 ZINC000274935932 130275272 /nfs/dbraw/zinc/27/52/72/130275272.db2.gz PVXGBCNYEFOLEW-GMSGAONNSA-N -1 0 301.320 -0.266 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cn1 ZINC000274986957 130280551 /nfs/dbraw/zinc/28/05/51/130280551.db2.gz DTHIWBBBDALLPF-JTQLQIEISA-N -1 0 303.340 -0.062 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-] ZINC000275026340 130285141 /nfs/dbraw/zinc/28/51/41/130285141.db2.gz DYTFDYACSKRZPV-SNVBAGLBSA-N -1 0 316.335 -0.447 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-] ZINC000275042142 130286311 /nfs/dbraw/zinc/28/63/11/130286311.db2.gz GZXNAHJZVIZKAC-ZCFIWIBFSA-N -1 0 311.747 -0.159 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@@H](C)CC(=O)[O-] ZINC000275060001 130287606 /nfs/dbraw/zinc/28/76/06/130287606.db2.gz UPNJXSJIACTQQP-ZETCQYMHSA-N -1 0 319.339 -0.025 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c(C)o1 ZINC000275065754 130290237 /nfs/dbraw/zinc/29/02/37/130290237.db2.gz KKAMKGJODKCQFU-ZETCQYMHSA-N -1 0 321.307 -0.511 20 0 DBADRM C[C@H](CN(C)C(=O)CNC(=O)c1cccc(O)c1)c1nnn[n-]1 ZINC000275108312 130292269 /nfs/dbraw/zinc/29/22/69/130292269.db2.gz GNRWMOUMMJFDHA-SECBINFHSA-N -1 0 318.337 -0.103 20 0 DBADRM CS(=O)(=O)c1cccc(S(=O)(=O)N2CC(C(=O)[O-])C2)c1 ZINC000275156842 130295075 /nfs/dbraw/zinc/29/50/75/130295075.db2.gz TZRKJPHUEZKXJU-UHFFFAOYSA-N -1 0 319.360 -0.205 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1cccc2c1OCCO2 ZINC000275200272 130296986 /nfs/dbraw/zinc/29/69/86/130296986.db2.gz GPPWXPZRRKCJFJ-ZETCQYMHSA-N -1 0 303.292 -0.818 20 0 DBADRM COCCc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000275198621 130297812 /nfs/dbraw/zinc/29/78/12/130297812.db2.gz GLVBEZZLUMCBQM-LLVKDONJSA-N -1 0 303.336 -0.401 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1C ZINC000275202086 130298466 /nfs/dbraw/zinc/29/84/66/130298466.db2.gz BHBUOHCAHGRYDC-SNVBAGLBSA-N -1 0 317.367 -0.006 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])c1 ZINC000275274273 130300910 /nfs/dbraw/zinc/30/09/10/130300910.db2.gz NMIXKDGTXHJVDR-VIFPVBQESA-N -1 0 313.339 -0.872 20 0 DBADRM COCc1cccc(S(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000275286148 130303357 /nfs/dbraw/zinc/30/33/57/130303357.db2.gz LPIPVTAJNMPTSQ-UHFFFAOYSA-N -1 0 303.336 -0.099 20 0 DBADRM COCCN(C)S(=O)(=O)N(CC(=O)[O-])Cc1ccccn1 ZINC000275344152 130307399 /nfs/dbraw/zinc/30/73/99/130307399.db2.gz SAMGNQDYBGHJKO-UHFFFAOYSA-N -1 0 317.367 -0.209 20 0 DBADRM COc1cc(OC)cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000275377865 130310952 /nfs/dbraw/zinc/31/09/52/130310952.db2.gz ZJQCJXLKDWZFSE-JTQLQIEISA-N -1 0 305.308 -0.572 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)O1 ZINC000276115830 130441696 /nfs/dbraw/zinc/44/16/96/130441696.db2.gz KWQRVXSWCLBCPR-FXQIFTODSA-N -1 0 324.255 -0.102 20 0 DBADRM COC(=O)C[C@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)CCO1 ZINC000178812369 391938224 /nfs/dbraw/zinc/93/82/24/391938224.db2.gz JSJBXZDAUQKDMB-NSHDSACASA-N -1 0 306.322 -0.214 20 0 DBADRM O=C(CN1CC(=O)NC1=O)N1C[C@@H](CO)Cc2ccccc21 ZINC000646530305 391908395 /nfs/dbraw/zinc/90/83/95/391908395.db2.gz DGGRCXCLCVUSFY-JTQLQIEISA-N -1 0 303.318 -0.264 20 0 DBADRM CCN(CC)S(=O)(=O)CCNC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000507420778 391913857 /nfs/dbraw/zinc/91/38/57/391913857.db2.gz BKMYCEYFPVVVSG-NXEZZACHSA-N -1 0 306.384 -0.115 20 0 DBADRM COC[C@](C)(NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000328471840 391928916 /nfs/dbraw/zinc/92/89/16/391928916.db2.gz HCQFYTCKGWSZEH-CABZTGNLSA-N -1 0 322.383 -0.736 20 0 DBADRM COC(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000308156127 391931383 /nfs/dbraw/zinc/93/13/83/391931383.db2.gz QSYRAXAJEQBLNV-UHFFFAOYSA-N -1 0 306.296 -0.079 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000400122762 391985790 /nfs/dbraw/zinc/98/57/90/391985790.db2.gz MNHXPHIWTCCXSV-SNVBAGLBSA-N -1 0 321.399 -0.085 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCN1C(=O)CNC1=O ZINC000276944228 130562082 /nfs/dbraw/zinc/56/20/82/130562082.db2.gz BAZWWLYLJYBZLI-UHFFFAOYSA-N -1 0 324.259 -0.889 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1cccc(F)c1 ZINC000277373161 130606361 /nfs/dbraw/zinc/60/63/61/130606361.db2.gz FJNYNXNBEJPAGI-UHFFFAOYSA-N -1 0 302.327 -0.050 20 0 DBADRM Cc1ccc(C)c(S(=O)(=O)NCC(=O)NCc2nnn[n-]2)c1 ZINC000648779283 391971902 /nfs/dbraw/zinc/97/19/02/391971902.db2.gz IEZFWNZLUULOHD-UHFFFAOYSA-N -1 0 324.366 -0.589 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)NCc2nnn[n-]2)cc1C ZINC000648779345 391971929 /nfs/dbraw/zinc/97/19/29/391971929.db2.gz LAUTZQYAJDBKNM-UHFFFAOYSA-N -1 0 324.366 -0.589 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000311583184 392071267 /nfs/dbraw/zinc/07/12/67/392071267.db2.gz DFMDSFFOONJZNM-ZCFIWIBFSA-N -1 0 303.283 -0.033 20 0 DBADRM COCCCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000649459193 392072999 /nfs/dbraw/zinc/07/29/99/392072999.db2.gz NWXWQZWACBHEEB-GMTAPVOTSA-N -1 0 319.379 -0.241 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000649454907 392073438 /nfs/dbraw/zinc/07/34/38/392073438.db2.gz HQOAHKOUVCQMCR-OPRDCNLKSA-N -1 0 304.368 -0.363 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)[C@H](C(=O)[O-])C(C)C)CCN2C1=O ZINC000649458544 392074071 /nfs/dbraw/zinc/07/40/71/392074071.db2.gz TWNIOLHHFKDZSR-NXEZZACHSA-N -1 0 311.338 -0.162 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)c1ccc(C(=O)[O-])cn1 ZINC000649455138 392074168 /nfs/dbraw/zinc/07/41/68/392074168.db2.gz FGDGUMCWEDRFAW-UHFFFAOYSA-N -1 0 315.351 -0.163 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cn1 ZINC000649465127 392075058 /nfs/dbraw/zinc/07/50/58/392075058.db2.gz PKCSTQGKZPNPAL-NXEZZACHSA-N -1 0 310.310 -0.695 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000649463899 392075176 /nfs/dbraw/zinc/07/51/76/392075176.db2.gz BKOLPNSNLDEAIN-CHWSQXEVSA-N -1 0 323.393 -0.136 20 0 DBADRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CNC(N)=O)c1 ZINC000553038400 392075332 /nfs/dbraw/zinc/07/53/32/392075332.db2.gz AVSURRDUNWLLHC-UHFFFAOYSA-N -1 0 301.324 -0.207 20 0 DBADRM Cn1ccnc(N2CCN(C(=O)C(C)(C)C(=O)[O-])CC2)c1=O ZINC000649461501 392075364 /nfs/dbraw/zinc/07/53/64/392075364.db2.gz FPXRPLYEOJBFFU-UHFFFAOYSA-N -1 0 308.338 -0.460 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000649464616 392075628 /nfs/dbraw/zinc/07/56/28/392075628.db2.gz LXONGGZCIIYGHP-UHFFFAOYSA-N -1 0 320.349 -0.060 20 0 DBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000649459012 392075911 /nfs/dbraw/zinc/07/59/11/392075911.db2.gz ZQVSLUPRKWYXKQ-GHMZBOCLSA-N -1 0 319.317 -0.049 20 0 DBADRM CC(C)(CNC(=O)N[C@H](CCF)C(=O)[O-])NS(C)(=O)=O ZINC000649525047 392087167 /nfs/dbraw/zinc/08/71/67/392087167.db2.gz ALIZPGFVEOHREM-SSDOTTSWSA-N -1 0 313.351 -0.574 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)NCC1(C(=O)[O-])CCC1 ZINC000554070107 392089174 /nfs/dbraw/zinc/08/91/74/392089174.db2.gz JQAPMPWVVHSRKH-UHFFFAOYSA-N -1 0 322.383 -0.687 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)[O-])C2CC2)cc1 ZINC000553935471 392089622 /nfs/dbraw/zinc/08/96/22/392089622.db2.gz CWMHPCFEGATOMT-LBPRGKRZSA-N -1 0 312.347 -0.144 20 0 DBADRM CC[C@@H](CNC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-] ZINC000649262349 392024484 /nfs/dbraw/zinc/02/44/84/392024484.db2.gz FAPPYACPYSUQIZ-JTQLQIEISA-N -1 0 301.343 -0.754 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000551996799 392059264 /nfs/dbraw/zinc/05/92/64/392059264.db2.gz UUJPVYOUFYBRQH-VIFPVBQESA-N -1 0 308.356 -0.431 20 0 DBADRM CS(=O)(=O)N1CCCN(c2cncc(C(=O)[O-])n2)CC1 ZINC000649384322 392062545 /nfs/dbraw/zinc/06/25/45/392062545.db2.gz IWVSDYOZJQCVQR-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM CC(C)NS(=O)(=O)NCCNc1cncc(C(=O)[O-])n1 ZINC000649398537 392063180 /nfs/dbraw/zinc/06/31/80/392063180.db2.gz AMIJKOXVFZKIFV-UHFFFAOYSA-N -1 0 303.344 -0.581 20 0 DBADRM CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000552423620 392067487 /nfs/dbraw/zinc/06/74/87/392067487.db2.gz NRFADIVXJWGKQG-UHFFFAOYSA-N -1 0 324.428 -0.167 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000554531439 392095044 /nfs/dbraw/zinc/09/50/44/392095044.db2.gz AJSAHYDNBAQUDF-SCZZXKLOSA-N -1 0 303.340 -0.503 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cc(N2CCOCC2)ccn1 ZINC000280108678 130783888 /nfs/dbraw/zinc/78/38/88/130783888.db2.gz NDBQNCBSJQWERY-UHFFFAOYSA-N -1 0 319.321 -0.433 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@H]1C(=O)[O-] ZINC000581370488 392129933 /nfs/dbraw/zinc/12/99/33/392129933.db2.gz XCTRXTZWWBTXQW-AEJSXWLSSA-N -1 0 317.367 -0.020 20 0 DBADRM Cn1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)n1 ZINC000340081041 130845253 /nfs/dbraw/zinc/84/52/53/130845253.db2.gz ZAZCPEDJXGWQJY-UHFFFAOYSA-N -1 0 316.364 -0.132 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-] ZINC000281930584 130892790 /nfs/dbraw/zinc/89/27/90/130892790.db2.gz QYUOMIIOEDRBGA-JTQLQIEISA-N -1 0 304.324 -0.142 20 0 DBADRM C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000284238749 131062505 /nfs/dbraw/zinc/06/25/05/131062505.db2.gz KSRYCXHEAFSCKG-RKDXNWHRSA-N -1 0 323.353 -0.081 20 0 DBADRM COc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1F ZINC000035233304 392357493 /nfs/dbraw/zinc/35/74/93/392357493.db2.gz JQGPMCWWEJESAS-UHFFFAOYSA-N -1 0 320.298 -0.687 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1F ZINC000035384542 392359437 /nfs/dbraw/zinc/35/94/37/392359437.db2.gz VJGLUSIMLUBRSN-UHFFFAOYSA-N -1 0 304.299 -0.387 20 0 DBADRM CN(CCC(=O)NN1CC(=O)NC1=O)C(=O)OC(C)(C)C ZINC000285121086 131140785 /nfs/dbraw/zinc/14/07/85/131140785.db2.gz NGGJVVUTMGGRPQ-UHFFFAOYSA-N -1 0 300.315 -0.174 20 0 DBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2c(C)cnn2C)n1 ZINC000285278385 131153516 /nfs/dbraw/zinc/15/35/16/131153516.db2.gz ZBHDVGGBKYQUFU-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccoc1 ZINC000285307126 131155924 /nfs/dbraw/zinc/15/59/24/131155924.db2.gz YUADBOBNXBJTEA-APPZFPTMSA-N -1 0 302.308 -0.381 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccsc2)C1 ZINC000285299682 131156533 /nfs/dbraw/zinc/15/65/33/131156533.db2.gz YCDKUWMPBLFROV-QMMMGPOBSA-N -1 0 318.376 -0.041 20 0 DBADRM CCC[C@H](NS(=O)(=O)c1cc(C(=O)NC)n(C)c1)C(=O)[O-] ZINC000036838106 392366795 /nfs/dbraw/zinc/36/67/95/392366795.db2.gz OTLWQWDLYQLIDH-VIFPVBQESA-N -1 0 317.367 -0.084 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1nncn1C ZINC000037034053 392370172 /nfs/dbraw/zinc/37/01/72/392370172.db2.gz UHOPDWQSMIUFCV-ZETCQYMHSA-N -1 0 313.339 -0.109 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000285612022 131185967 /nfs/dbraw/zinc/18/59/67/131185967.db2.gz JGFFJEVRRNPIKC-UHFFFAOYSA-N -1 0 320.349 -0.281 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)c1 ZINC000037417473 392373470 /nfs/dbraw/zinc/37/34/70/392373470.db2.gz VXPZYSWRMYTPQA-OIBJUYFYSA-N -1 0 317.319 -0.415 20 0 DBADRM Cc1ccc(F)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000037462747 392373682 /nfs/dbraw/zinc/37/36/82/392373682.db2.gz JYGRNCGJQYVQCW-MRVPVSSYSA-N -1 0 304.299 -0.259 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)NCCCC(=O)[O-])CC1 ZINC000037465275 392374953 /nfs/dbraw/zinc/37/49/53/392374953.db2.gz FREHEMIBNVXGNY-UHFFFAOYSA-N -1 0 308.356 -0.429 20 0 DBADRM CCC[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(N)=O ZINC000286286585 131228421 /nfs/dbraw/zinc/22/84/21/131228421.db2.gz ILIOVWOPDWLNFX-QMMMGPOBSA-N -1 0 305.294 -0.180 20 0 DBADRM CC(C)Oc1ccc(=NC(=O)C(=O)N2CN(C)C(=O)[C@H]2C)[n-]n1 ZINC000646910853 392386106 /nfs/dbraw/zinc/38/61/06/392386106.db2.gz HNBMPOLNTMGERB-SECBINFHSA-N -1 0 321.337 -0.729 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000646911043 392386149 /nfs/dbraw/zinc/38/61/49/392386149.db2.gz MYTLBDGBAHQMDP-MRVPVSSYSA-N -1 0 308.342 -0.960 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)cn1 ZINC000340245808 131262540 /nfs/dbraw/zinc/26/25/40/131262540.db2.gz RPFCZGXSIVSQOH-UHFFFAOYSA-N -1 0 324.366 -0.304 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)c1 ZINC000287377176 131278475 /nfs/dbraw/zinc/27/84/75/131278475.db2.gz JHPLURYPIAGMJF-ZETCQYMHSA-N -1 0 309.271 -0.144 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-] ZINC000287450613 131280709 /nfs/dbraw/zinc/28/07/09/131280709.db2.gz IAVOTDJIYYDDFG-LLVKDONJSA-N -1 0 305.356 -0.520 20 0 DBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)CCC(=O)OC)cc1C ZINC000357080819 392379121 /nfs/dbraw/zinc/37/91/21/392379121.db2.gz NFZSULUFORGICB-UHFFFAOYSA-N -1 0 318.355 -0.758 20 0 DBADRM COC(=O)c1sccc1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000037417423 392416613 /nfs/dbraw/zinc/41/66/13/392416613.db2.gz VYRHVIQMKKBXCU-RXMQYKEDSA-N -1 0 309.321 -0.742 20 0 DBADRM CNS(=O)(=O)c1cccc(CNC(=O)[C@H](C)C(=O)[O-])c1 ZINC000647117107 392421340 /nfs/dbraw/zinc/42/13/40/392421340.db2.gz OSUMKHXFYXQDSZ-QMMMGPOBSA-N -1 0 300.336 -0.068 20 0 DBADRM COc1ccc(F)cc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000647122547 392429043 /nfs/dbraw/zinc/42/90/43/392429043.db2.gz LGESGSNTROLATF-UHFFFAOYSA-N -1 0 320.298 -0.687 20 0 DBADRM CCNC(=O)CCCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000262243798 285493026 /nfs/dbraw/zinc/49/30/26/285493026.db2.gz PHCPVTZBNRYHAU-SNVBAGLBSA-N -1 0 315.370 -0.269 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000647131008 392434475 /nfs/dbraw/zinc/43/44/75/392434475.db2.gz BRZABCOABYUMCJ-MRVPVSSYSA-N -1 0 300.336 -0.188 20 0 DBADRM O=C([O-])CSCC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000558454802 392446301 /nfs/dbraw/zinc/44/63/01/392446301.db2.gz NPLIVYQCJJKNHM-UHFFFAOYSA-N -1 0 324.424 -0.360 20 0 DBADRM COC(=O)COCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000600404318 392449827 /nfs/dbraw/zinc/44/98/27/392449827.db2.gz BUGWFPNCJSHHIS-UHFFFAOYSA-N -1 0 322.277 -0.645 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000290207679 131464494 /nfs/dbraw/zinc/46/44/94/131464494.db2.gz QDSAPAUMBVQTKL-SNVBAGLBSA-N -1 0 316.321 -0.047 20 0 DBADRM CC[C@H](NC(=O)Cc1c(C)nc2nc(N)nn2c1C)C(=O)[O-] ZINC000647258065 392518266 /nfs/dbraw/zinc/51/82/66/392518266.db2.gz LVHCJDWYCAPNND-VIFPVBQESA-N -1 0 306.326 -0.324 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647262780 392525394 /nfs/dbraw/zinc/52/53/94/392525394.db2.gz PLGHWZUCYXTAOD-JGVFFNPUSA-N -1 0 317.305 -0.189 20 0 DBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)C[C@H](OC)C(C)C)n1 ZINC000647266913 392530189 /nfs/dbraw/zinc/53/01/89/392530189.db2.gz FFZAKRFYYUBBMS-VIFPVBQESA-N -1 0 319.387 -0.563 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000583444445 392533621 /nfs/dbraw/zinc/53/36/21/392533621.db2.gz ZYNGVJVDQALLRR-PHDIDXHHSA-N -1 0 302.299 -0.509 20 0 DBADRM CN(C)c1cccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c1 ZINC000559133411 392476168 /nfs/dbraw/zinc/47/61/68/392476168.db2.gz NGZSJPVIXGJWCD-JQWIXIFHSA-N -1 0 314.363 -0.039 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c(OC)c1 ZINC000040699301 392482360 /nfs/dbraw/zinc/48/23/60/392482360.db2.gz ZMQPGMLDIDREET-SECBINFHSA-N -1 0 319.335 -0.182 20 0 DBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000040699864 392482754 /nfs/dbraw/zinc/48/27/54/392482754.db2.gz OTOVQVGSCUJYCO-JTQLQIEISA-N -1 0 301.320 -0.265 20 0 DBADRM COC(=O)c1sccc1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC000040699263 392483081 /nfs/dbraw/zinc/48/30/81/392483081.db2.gz KIUHHTNVONCLBW-ZCFIWIBFSA-N -1 0 323.348 -0.351 20 0 DBADRM CNC(=O)c1cccc(OCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000647219594 392484422 /nfs/dbraw/zinc/48/44/22/392484422.db2.gz OLJFCMJAMVZXFM-GFCCVEGCSA-N -1 0 322.317 -0.263 20 0 DBADRM O=Cc1ccccc1OCC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000370858586 392506880 /nfs/dbraw/zinc/50/68/80/392506880.db2.gz CZOXGOXMEQUDRG-LBPRGKRZSA-N -1 0 317.305 -0.009 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000370859977 392507044 /nfs/dbraw/zinc/50/70/44/392507044.db2.gz INUNNNWPJBTPQQ-VIFPVBQESA-N -1 0 310.358 -0.348 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000559602977 392509165 /nfs/dbraw/zinc/50/91/65/392509165.db2.gz ZKKPRUVEYAPTFL-BDAKNGLRSA-N -1 0 313.397 -0.406 20 0 DBADRM COC(=O)N(C)CCCC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000370868170 392509260 /nfs/dbraw/zinc/50/92/60/392509260.db2.gz MPEGJXSVKIHNBO-VIFPVBQESA-N -1 0 312.330 -0.422 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)o1 ZINC000559921421 392513162 /nfs/dbraw/zinc/51/31/62/392513162.db2.gz UQUUBEUTVVITBN-QMMMGPOBSA-N -1 0 319.291 -0.460 20 0 DBADRM CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000647256255 392516532 /nfs/dbraw/zinc/51/65/32/392516532.db2.gz KQTLCIYJDHGXKZ-CBAPKCEASA-N -1 0 318.355 -0.934 20 0 DBADRM CC[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)nc1)C(=O)[O-] ZINC000647256983 392516713 /nfs/dbraw/zinc/51/67/13/392516713.db2.gz MPXFKEBJNPWRMW-VIFPVBQESA-N -1 0 315.351 -0.075 20 0 DBADRM CO[C@H](CNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)C(=O)[O-] ZINC000261642345 392554530 /nfs/dbraw/zinc/55/45/30/392554530.db2.gz LANOEZUENLUKMN-DNSOKLHBSA-N -1 0 302.352 -0.344 20 0 DBADRM COc1ccc(C(=O)NCC(=O)NC[C@@H](OC)C(=O)[O-])cc1 ZINC000427777541 392554908 /nfs/dbraw/zinc/55/49/08/392554908.db2.gz YQDFVPWWOUGVRX-LLVKDONJSA-N -1 0 310.306 -0.359 20 0 DBADRM CO[C@H](CNC(=O)[C@@H](C)NC(=O)COc1ccccc1)C(=O)[O-] ZINC000427803820 392556127 /nfs/dbraw/zinc/55/61/27/392556127.db2.gz YZNUQKFUYXZVKL-ZYHUDNBSSA-N -1 0 324.333 -0.214 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)[N-]c2cn(C)nn2)CC1 ZINC000359605833 392568159 /nfs/dbraw/zinc/56/81/59/392568159.db2.gz VLCMOIIZHVNESP-UHFFFAOYSA-N -1 0 317.371 -0.253 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000168813826 392569769 /nfs/dbraw/zinc/56/97/69/392569769.db2.gz BZVKGYQRIPVUNK-SSDOTTSWSA-N -1 0 305.312 -0.895 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000643849147 392573314 /nfs/dbraw/zinc/57/33/14/392573314.db2.gz UWCXQSWFNUBSPA-CABZTGNLSA-N -1 0 305.352 -0.487 20 0 DBADRM CCOc1ccccc1CCNC(=O)C(=O)N=c1ncn(C)[n-]1 ZINC000339994283 392588688 /nfs/dbraw/zinc/58/86/88/392588688.db2.gz GZOQRHGMVBLRBP-UHFFFAOYSA-N -1 0 317.349 -0.067 20 0 DBADRM NC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000647481293 392591844 /nfs/dbraw/zinc/59/18/44/392591844.db2.gz AIMBSVRNMVJFTJ-JTQLQIEISA-N -1 0 320.305 -0.408 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)c1 ZINC000647481793 392592086 /nfs/dbraw/zinc/59/20/86/392592086.db2.gz MGIVVEASHQDREL-WDEREUQCSA-N -1 0 308.290 -0.723 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C(F)(F)C1 ZINC000643971439 392603337 /nfs/dbraw/zinc/60/33/37/392603337.db2.gz QUQVLTPJFGLTSL-LURJTMIESA-N -1 0 310.282 -0.454 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C(F)(F)C1 ZINC000643971440 392603440 /nfs/dbraw/zinc/60/34/40/392603440.db2.gz QUQVLTPJFGLTSL-ZCFIWIBFSA-N -1 0 310.282 -0.454 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cnn(C)c1C ZINC000643971410 392603584 /nfs/dbraw/zinc/60/35/84/392603584.db2.gz OZZYMNMUFXHXCV-GFCCVEGCSA-N -1 0 317.367 -0.017 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)on1 ZINC000566559611 392550402 /nfs/dbraw/zinc/55/04/02/392550402.db2.gz MPGXHLBDINSJGT-VIFPVBQESA-N -1 0 304.324 -0.012 20 0 DBADRM CCCn1cc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cn1 ZINC000424235104 392665265 /nfs/dbraw/zinc/66/52/65/392665265.db2.gz FLDDWVNOJWPWED-JTQLQIEISA-N -1 0 315.351 -0.383 20 0 DBADRM CC[C@@H]1CC[C@H](C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)O1 ZINC000424237102 392665503 /nfs/dbraw/zinc/66/55/03/392665503.db2.gz HNPMMSGMPRILDU-OPRDCNLKSA-N -1 0 305.352 -0.346 20 0 DBADRM COc1ncccc1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424231593 392665595 /nfs/dbraw/zinc/66/55/95/392665595.db2.gz BGJOQFJIJFEXMG-SECBINFHSA-N -1 0 314.319 -0.586 20 0 DBADRM Cc1ccc(CC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cn1 ZINC000424240721 392667293 /nfs/dbraw/zinc/66/72/93/392667293.db2.gz KPFYFFSLHAVKON-NSHDSACASA-N -1 0 312.347 -0.357 20 0 DBADRM CCOCCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424389566 392668526 /nfs/dbraw/zinc/66/85/26/392668526.db2.gz LPOGFAISQIJRAJ-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM CO[C@@H](C)CCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424399102 392668587 /nfs/dbraw/zinc/66/85/87/392668587.db2.gz WRUISXXYCFRKSH-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM CCOCCCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424390635 392668945 /nfs/dbraw/zinc/66/89/45/392668945.db2.gz FTEMXTLKYXEUAS-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM CO[C@@H](CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(C)C ZINC000424407545 392670145 /nfs/dbraw/zinc/67/01/45/392670145.db2.gz KJEVRVJJOVECCD-UWVGGRQHSA-N -1 0 322.383 -0.449 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@H]2CC=CCC2)CCS1(=O)=O ZINC000424420212 392670352 /nfs/dbraw/zinc/67/03/52/392670352.db2.gz ZGNPVHXVEFPQEV-VHSXEESVSA-N -1 0 302.352 -0.012 20 0 DBADRM C[C@@]1(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCCO1 ZINC000424401523 392670612 /nfs/dbraw/zinc/67/06/12/392670612.db2.gz BUYRYVZVWRVJHD-SKDRFNHKSA-N -1 0 320.367 -0.551 20 0 DBADRM Cc1cc2c(N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)nccn2n1 ZINC000424464587 392671775 /nfs/dbraw/zinc/67/17/75/392671775.db2.gz DYMAEKPCOFKYRU-SNVBAGLBSA-N -1 0 310.335 -0.274 20 0 DBADRM CNC(=O)c1cccnc1N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424468516 392672049 /nfs/dbraw/zinc/67/20/49/392672049.db2.gz JGUZQLVHFNNDQH-VIFPVBQESA-N -1 0 313.335 -0.871 20 0 DBADRM Cc1cn2nc(N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)sc2n1 ZINC000424461829 392672308 /nfs/dbraw/zinc/67/23/08/392672308.db2.gz ANLBDMGXVBAKEQ-ZETCQYMHSA-N -1 0 316.364 -0.213 20 0 DBADRM C[C@@H]1CSC[C@H]1NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424455318 392672420 /nfs/dbraw/zinc/67/24/20/392672420.db2.gz UTGOBGPPRKELOV-IWSPIJDZSA-N -1 0 322.408 -0.369 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@H]2C2CCC2)CCO1 ZINC000644202654 392694594 /nfs/dbraw/zinc/69/45/94/392694594.db2.gz ACADFTJSGHUMSV-SDDRHHMPSA-N -1 0 310.350 -0.149 20 0 DBADRM CC(C)OCCS(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000362030888 392684730 /nfs/dbraw/zinc/68/47/30/392684730.db2.gz YHKJSBGGXRKNIU-UHFFFAOYSA-N -1 0 304.372 -0.075 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(C)(O)CC2)C[C@H]1C(=O)[O-] ZINC000647503852 392622119 /nfs/dbraw/zinc/62/21/19/392622119.db2.gz OKXYIHICXBAMDL-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)NCC(=O)N2CCOCC2)CC[C@H]1C(=O)[O-] ZINC000318822606 392622163 /nfs/dbraw/zinc/62/21/63/392622163.db2.gz YIOGCZKTLVACEM-GHMZBOCLSA-N -1 0 313.354 -0.403 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)CCOCCO)C[C@H]1C(=O)[O-] ZINC000647505254 392625047 /nfs/dbraw/zinc/62/50/47/392625047.db2.gz NMMLCCGMHFIJSG-GHMZBOCLSA-N -1 0 316.354 -0.977 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H](O)C2CC2)C[C@@H]1C(=O)[O-] ZINC000647506371 392625547 /nfs/dbraw/zinc/62/55/47/392625547.db2.gz RMJYZDBJDUSXAP-ADEWGFFLSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](F)(CO)C2)C[C@@H]1C(=O)[O-] ZINC000647505869 392625563 /nfs/dbraw/zinc/62/55/63/392625563.db2.gz LBALMSAWOMMUFR-BFVZDQMLSA-N -1 0 316.329 -0.512 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H](O)C2CC2)C[C@H]1C(=O)[O-] ZINC000647506372 392625860 /nfs/dbraw/zinc/62/58/60/392625860.db2.gz RMJYZDBJDUSXAP-JLLWLGSASA-N -1 0 312.366 -0.215 20 0 DBADRM CCOc1nccnc1N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000644169278 392626508 /nfs/dbraw/zinc/62/65/08/392626508.db2.gz ITZSVJIFEJTACS-QMMMGPOBSA-N -1 0 301.324 -0.437 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC(=O)N1 ZINC000647508034 392627655 /nfs/dbraw/zinc/62/76/55/392627655.db2.gz FKGVSBIUICLOLR-VIFPVBQESA-N -1 0 311.338 -0.953 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000647581345 392647852 /nfs/dbraw/zinc/64/78/52/392647852.db2.gz ZJAWKCHLGPAZIK-BXKDBHETSA-N -1 0 320.349 -0.030 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCCCOC1CCOCC1 ZINC000647585472 392649196 /nfs/dbraw/zinc/64/91/96/392649196.db2.gz RSJNLOGIIQLLDQ-UHFFFAOYSA-N -1 0 316.354 -0.331 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000647589491 392649208 /nfs/dbraw/zinc/64/92/08/392649208.db2.gz OINWHYMMYKOFHC-JTQLQIEISA-N -1 0 321.337 -0.530 20 0 DBADRM C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000647590220 392649321 /nfs/dbraw/zinc/64/93/21/392649321.db2.gz CMRFPJUYURRZQL-CIUDSAMLSA-N -1 0 302.352 -0.691 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NCCCC(=O)[O-] ZINC000647589898 392649513 /nfs/dbraw/zinc/64/95/13/392649513.db2.gz KSAIYTSUGZPXPW-RKDXNWHRSA-N -1 0 322.383 -0.753 20 0 DBADRM C[C@H](CO)CCCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647588099 392649611 /nfs/dbraw/zinc/64/96/11/392649611.db2.gz FSNVKAGTEACMFC-GARJFASQSA-N -1 0 300.355 -0.119 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)OC ZINC000647588400 392649645 /nfs/dbraw/zinc/64/96/45/392649645.db2.gz RBZWXAXFHVODRY-IVZWLZJFSA-N -1 0 302.327 -0.867 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647591233 392650979 /nfs/dbraw/zinc/65/09/79/392650979.db2.gz RPKSDVWWUPNHJY-DTWKUNHWSA-N -1 0 313.354 -0.756 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](C3CC3)C2)C1 ZINC000647591940 392651225 /nfs/dbraw/zinc/65/12/25/392651225.db2.gz PFGDQIJSNDSKPS-WOPDTQHZSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@H]1[C@H](CO)CCCN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647593474 392651241 /nfs/dbraw/zinc/65/12/41/392651241.db2.gz RBHXHEMQNXHVDD-FIQHERPVSA-N -1 0 312.366 -0.025 20 0 DBADRM CN1CC[C@@H](C(=O)NC2(C(=O)[O-])CCCCC2)S1(=O)=O ZINC000647601975 392653949 /nfs/dbraw/zinc/65/39/49/392653949.db2.gz VNBHIDYMSHKFHX-VIFPVBQESA-N -1 0 304.368 -0.076 20 0 DBADRM COC[C@H](C)CS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000647642793 392663513 /nfs/dbraw/zinc/66/35/13/392663513.db2.gz KVDLGVDIRBAJGB-WPRPVWTQSA-N -1 0 305.356 -0.252 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C)C1CC1 ZINC000647642887 392663979 /nfs/dbraw/zinc/66/39/79/392663979.db2.gz WFGYUELYKISNOI-GHMZBOCLSA-N -1 0 317.367 -0.110 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C)C1CC1 ZINC000647642890 392664025 /nfs/dbraw/zinc/66/40/25/392664025.db2.gz WFGYUELYKISNOI-WDEREUQCSA-N -1 0 317.367 -0.110 20 0 DBADRM CCC[C@@H](NC(=O)[C@H]1Cn2c(C)nnc2CN1C)c1nnn[n-]1 ZINC000644383693 392736482 /nfs/dbraw/zinc/73/64/82/392736482.db2.gz KJDAWFORAXRATM-NXEZZACHSA-N -1 0 319.373 -0.429 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@@H]1C(=O)[O-] ZINC000647747484 392838592 /nfs/dbraw/zinc/83/85/92/392838592.db2.gz KLFJPWAPMUWBCX-UTLUCORTSA-N -1 0 304.368 -0.411 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1C(=O)[O-] ZINC000647747483 392838720 /nfs/dbraw/zinc/83/87/20/392838720.db2.gz KLFJPWAPMUWBCX-OPRDCNLKSA-N -1 0 304.368 -0.411 20 0 DBADRM COC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000497209238 392802042 /nfs/dbraw/zinc/80/20/42/392802042.db2.gz KKIPPONGNYOMBC-ZJUUUORDSA-N -1 0 322.383 -0.008 20 0 DBADRM CCCC[C@@H](NC(=O)NCCNS(=O)(=O)CC)C(=O)[O-] ZINC000390184020 392806760 /nfs/dbraw/zinc/80/67/60/392806760.db2.gz QVWLXULDEKPZSF-SECBINFHSA-N -1 0 309.388 -0.132 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)CNC(=O)COc1ccccc1 ZINC000647696233 392814559 /nfs/dbraw/zinc/81/45/59/392814559.db2.gz CYNUWNGIJGBHCU-UHFFFAOYSA-N -1 0 320.305 -0.071 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000647734668 392832013 /nfs/dbraw/zinc/83/20/13/392832013.db2.gz DXFUBJCIDMNXDI-UHFFFAOYSA-N -1 0 322.383 -0.640 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000021504833 392832018 /nfs/dbraw/zinc/83/20/18/392832018.db2.gz JDZAZBONUDRZOB-LLVKDONJSA-N -1 0 300.336 -0.021 20 0 DBADRM CN1CC[C@H](C(=O)N(CC(=O)[O-])C2CCOCC2)S1(=O)=O ZINC000647733588 392832073 /nfs/dbraw/zinc/83/20/73/392832073.db2.gz OSXAKRKKZUBKHU-SNVBAGLBSA-N -1 0 320.367 -0.888 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000021502158 392832249 /nfs/dbraw/zinc/83/22/49/392832249.db2.gz KXLKLYMDQDNNQD-SECBINFHSA-N -1 0 314.323 -0.011 20 0 DBADRM COCc1nc([C@@H]2COCCN2C(=O)[C@@H]2C[C@H]2C(=O)[O-])no1 ZINC000647741636 392834406 /nfs/dbraw/zinc/83/44/06/392834406.db2.gz YVWAGQGZADJXTD-HLTSFMKQSA-N -1 0 311.294 -0.163 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000647742853 392836171 /nfs/dbraw/zinc/83/61/71/392836171.db2.gz PHMZFNHIPZEGLQ-OPRDCNLKSA-N -1 0 304.368 -0.268 20 0 DBADRM CCCS(=O)(=O)CC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000262267795 392901313 /nfs/dbraw/zinc/90/13/13/392901313.db2.gz UFMZXUFSPUMSPG-VIFPVBQESA-N -1 0 322.383 -0.751 20 0 DBADRM CN(C)c1nc(C(=O)NCC2(C(=O)[O-])CCOCC2)cc(=O)[nH]1 ZINC000647764534 392850670 /nfs/dbraw/zinc/85/06/70/392850670.db2.gz CRBFXNUYWAYZGO-UHFFFAOYSA-N -1 0 324.337 -0.141 20 0 DBADRM CC[C@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000647768382 392854145 /nfs/dbraw/zinc/85/41/45/392854145.db2.gz SZEKPUSVZVDMCG-QMMMGPOBSA-N -1 0 322.321 -0.831 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000647773874 392872821 /nfs/dbraw/zinc/87/28/21/392872821.db2.gz KSYOYUXVBIYFRF-NSHDSACASA-N -1 0 317.367 -0.267 20 0 DBADRM CO[N-]C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O ZINC000298103253 132046876 /nfs/dbraw/zinc/04/68/76/132046876.db2.gz NCODQXAOCINSLT-MWLCHTKSSA-N -1 0 302.352 -0.300 20 0 DBADRM CO[N-]C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O ZINC000298103249 132046938 /nfs/dbraw/zinc/04/69/38/132046938.db2.gz NCODQXAOCINSLT-KOLCDFICSA-N -1 0 302.352 -0.300 20 0 DBADRM CC(C)C(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000298333071 132056546 /nfs/dbraw/zinc/05/65/46/132056546.db2.gz UOWRJFUXXBRQHM-UHFFFAOYSA-N -1 0 317.367 -0.226 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NS(=O)(=O)[C@H]1CCOC1 ZINC000647928466 392938099 /nfs/dbraw/zinc/93/80/99/392938099.db2.gz MSPJZWCVIQJCKQ-WDEREUQCSA-N -1 0 300.336 -0.214 20 0 DBADRM COc1cccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000277598115 392948498 /nfs/dbraw/zinc/94/84/98/392948498.db2.gz KWUWQFPVJPSFSJ-UHFFFAOYSA-N -1 0 300.336 -0.109 20 0 DBADRM C[C@@]1(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CCC(=O)NC1 ZINC000282474561 392951810 /nfs/dbraw/zinc/95/18/10/392951810.db2.gz UXKOTXMNJRDKAH-CQSZACIVSA-N -1 0 316.321 -0.190 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]N2CCCNC2=O)oc1C ZINC000276402944 392946560 /nfs/dbraw/zinc/94/65/60/392946560.db2.gz AKGZWMKXNDITQO-UHFFFAOYSA-N -1 0 317.323 -0.017 20 0 DBADRM NS(=O)(=O)CCOCCNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000288111784 392959453 /nfs/dbraw/zinc/95/94/53/392959453.db2.gz BXJWXSXMWMSTLE-UHFFFAOYSA-N -1 0 324.305 -0.295 20 0 DBADRM CCCN1C[C@@H](C(=O)Nc2n[nH]nc2C(=O)NC2CC2)CC1=O ZINC000415785809 392997999 /nfs/dbraw/zinc/99/79/99/392997999.db2.gz NQSQOPPMMLRYDM-QMMMGPOBSA-N -1 0 320.353 -0.106 20 0 DBADRM CCCN1C[C@H](C(=O)Nc2n[nH]nc2C(=O)NC2CC2)CC1=O ZINC000415785808 392998666 /nfs/dbraw/zinc/99/86/66/392998666.db2.gz NQSQOPPMMLRYDM-MRVPVSSYSA-N -1 0 320.353 -0.106 20 0 DBADRM COCCS(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417444250 393047359 /nfs/dbraw/zinc/04/73/59/393047359.db2.gz CHJRXLJVXUDDJV-VHSXEESVSA-N -1 0 322.383 -0.738 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)CCCF)C1=O ZINC000417450286 393048951 /nfs/dbraw/zinc/04/89/51/393048951.db2.gz ZUCRMWMQFRKNKQ-VHSXEESVSA-N -1 0 324.374 -0.025 20 0 DBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000348278459 393136176 /nfs/dbraw/zinc/13/61/76/393136176.db2.gz BXLXSDCTRVKFQS-VIFPVBQESA-N -1 0 307.358 -0.113 20 0 DBADRM NC(=O)COc1ccc(C(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000348272447 393136198 /nfs/dbraw/zinc/13/61/98/393136198.db2.gz BMGQDOGJFWOMCN-UHFFFAOYSA-N -1 0 302.294 -0.517 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000348631388 393161748 /nfs/dbraw/zinc/16/17/48/393161748.db2.gz CVVYJQXYBUBCHY-UHFFFAOYSA-N -1 0 318.337 -0.230 20 0 DBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000349875288 393220803 /nfs/dbraw/zinc/22/08/03/393220803.db2.gz GLFWAJURCNCHPI-LURJTMIESA-N -1 0 311.253 -0.004 20 0 DBADRM CCOCCCNC(=O)[C@H](C)S(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000350185979 393233979 /nfs/dbraw/zinc/23/39/79/393233979.db2.gz ZUHRIHPNKPDVOX-ZETCQYMHSA-N -1 0 306.344 -0.785 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)C[C@H](C)CS(C)(=O)=O)[n-]1 ZINC000350185528 393234824 /nfs/dbraw/zinc/23/48/24/393234824.db2.gz VWHBXYJRPFCCCI-SSDOTTSWSA-N -1 0 324.380 -0.349 20 0 DBADRM O=C(NCc1cccc(CN2CCOCC2)c1)c1n[nH]c(=O)[n-]1 ZINC000097124439 393251769 /nfs/dbraw/zinc/25/17/69/393251769.db2.gz OYITZQDYSODFAO-UHFFFAOYSA-N -1 0 317.349 -0.140 20 0 DBADRM C[C@](O)(CNC(=O)c1cccc(C(=O)N2CCCC2)n1)C(=O)[O-] ZINC000349045890 393186665 /nfs/dbraw/zinc/18/66/65/393186665.db2.gz BHQRBJKIINICKA-HNNXBMFYSA-N -1 0 321.333 -0.117 20 0 DBADRM CC[C@@H]1C[C@@H](C(=O)Nc2n[nH]c(CC(=O)OC)n2)CC(=O)N1 ZINC000349124731 393188541 /nfs/dbraw/zinc/18/85/41/393188541.db2.gz CFYUDAWVUOXWME-HTQZYQBOSA-N -1 0 309.326 -0.237 20 0 DBADRM O=C(NC[C@@H]1CC[C@@H](CO)O1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000349704302 393213919 /nfs/dbraw/zinc/21/39/19/393213919.db2.gz UNGJJUKTODEYHZ-IUCAKERBSA-N -1 0 320.305 -0.294 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N1CCN(CCCO)CC1 ZINC000192027699 393269260 /nfs/dbraw/zinc/26/92/60/393269260.db2.gz ACBBVCCSGHJFJU-UHFFFAOYSA-N -1 0 305.322 -0.617 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000351537328 393282162 /nfs/dbraw/zinc/28/21/62/393282162.db2.gz IJQIUDHUCCQANW-UHFFFAOYSA-N -1 0 307.310 -0.547 20 0 DBADRM NC(=O)[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000352627905 393392452 /nfs/dbraw/zinc/39/24/52/393392452.db2.gz YXQJXLLDDVHIPS-SCSAIBSYSA-N -1 0 313.129 -0.833 20 0 DBADRM O=C(CNC(=O)c1cccc(F)c1)NC1(c2nnn[n-]2)CC1 ZINC000352204336 393356685 /nfs/dbraw/zinc/35/66/85/393356685.db2.gz GDNQYLJCOZOUNM-UHFFFAOYSA-N -1 0 304.285 -0.126 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000352437380 393376271 /nfs/dbraw/zinc/37/62/71/393376271.db2.gz GDYSRWVPIUBINA-QMMMGPOBSA-N -1 0 301.372 -0.234 20 0 DBADRM COCC(=O)N[C@@H](C(=O)N(C)C[C@@H](C)c1nnn[n-]1)C(C)C ZINC000352473186 393377794 /nfs/dbraw/zinc/37/77/94/393377794.db2.gz QMQUZJJIXSVGGK-MWLCHTKSSA-N -1 0 312.374 -0.451 20 0 DBADRM Cc1noc(=NC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)[n-]1 ZINC000352989963 393420711 /nfs/dbraw/zinc/42/07/11/393420711.db2.gz NGWVPEHPTJMYSW-UHFFFAOYSA-N -1 0 311.323 -0.302 20 0 DBADRM O=c1nc(CCNS(=O)(=O)CCC[C@@H]2CCOC2)[n-]o1 ZINC000645686248 393492983 /nfs/dbraw/zinc/49/29/83/393492983.db2.gz BKYUQVLIRHAJQB-SECBINFHSA-N -1 0 305.356 -0.359 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NC[C@](C)(O)CO)c1 ZINC000424813200 393511344 /nfs/dbraw/zinc/51/13/44/393511344.db2.gz PKXYLUHTJZCJOA-RBZFPXEDSA-N -1 0 301.364 -0.338 20 0 DBADRM CN1C(=O)CC[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C1=O ZINC000425225376 393516803 /nfs/dbraw/zinc/51/68/03/393516803.db2.gz PIEKPUWOMRFUEE-YFKPBYRVSA-N -1 0 303.262 -0.880 20 0 DBADRM COC(=O)[C@]1(C)CCCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC000420601009 393593097 /nfs/dbraw/zinc/59/30/97/393593097.db2.gz OYEVLDPBQNAHKJ-CYBMUJFWSA-N -1 0 300.311 -0.621 20 0 DBADRM CC(C)(C)[C@H]1CCN(C(=O)C(=O)NCCC(=O)[O-])C[C@H]1O ZINC000420586353 393593685 /nfs/dbraw/zinc/59/36/85/393593685.db2.gz CSJSBOQEVIATAQ-VHSXEESVSA-N -1 0 300.355 -0.167 20 0 DBADRM COC(=O)Cc1nc([N-]S(=O)(=O)CCOCC2CC2)n[nH]1 ZINC000424209461 393633817 /nfs/dbraw/zinc/63/38/17/393633817.db2.gz LPXNYAJJBIAOKA-UHFFFAOYSA-N -1 0 318.355 -0.312 20 0 DBADRM Cc1noc(C)c1C(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424234118 393636175 /nfs/dbraw/zinc/63/61/75/393636175.db2.gz DNNNCZJGEFDOLA-SSDOTTSWSA-N -1 0 307.266 -0.302 20 0 DBADRM C[C@@H]1CCCN(C(=O)CN2CCCS2(=O)=O)[C@H]1C(=O)[O-] ZINC000424245186 393636249 /nfs/dbraw/zinc/63/62/49/393636249.db2.gz GKSMGHQXKOFOJU-MWLCHTKSSA-N -1 0 304.368 -0.266 20 0 DBADRM CC(C)C[C@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)C(=O)[O-] ZINC000424431128 393639409 /nfs/dbraw/zinc/63/94/09/393639409.db2.gz ONVSQWIBMYMDRY-GHMZBOCLSA-N -1 0 313.358 -0.315 20 0 DBADRM CN(C)c1ncc(CN2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])cn1 ZINC000424407062 393639565 /nfs/dbraw/zinc/63/95/65/393639565.db2.gz BKKNDFATHNFTKL-SECBINFHSA-N -1 0 319.325 -0.691 20 0 DBADRM CCC(CC)(CNC(=O)N1CC[C@@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000424422304 393639922 /nfs/dbraw/zinc/63/99/22/393639922.db2.gz FHLBAXHCOGABTH-SECBINFHSA-N -1 0 321.399 -0.050 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424481728 393643539 /nfs/dbraw/zinc/64/35/39/393643539.db2.gz LHUDPOKJDKUATN-UHFFFAOYSA-N -1 0 310.354 -0.004 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H]1CO)C(=O)[O-] ZINC000424476977 393644333 /nfs/dbraw/zinc/64/43/33/393644333.db2.gz DQSYWLNMDJPINY-MNOVXSKESA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCc1cn(C)cn1)C(=O)[O-] ZINC000424488683 393644934 /nfs/dbraw/zinc/64/49/34/393644934.db2.gz MWYUAWOSHYCDPM-LLVKDONJSA-N -1 0 324.381 -0.058 20 0 DBADRM C[S@](=O)C1(CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000424488212 393644967 /nfs/dbraw/zinc/64/49/67/393644967.db2.gz LXIPSSBZQSWIII-NRFANRHFSA-N -1 0 318.395 -0.369 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC(=O)N1C ZINC000424489271 393645105 /nfs/dbraw/zinc/64/51/05/393645105.db2.gz PSMOCBFYXSAMRK-SECBINFHSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H](O)C1)C(=O)[O-] ZINC000424486859 393645334 /nfs/dbraw/zinc/64/53/34/393645334.db2.gz GVECJFTZVPJQPR-MNOVXSKESA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H]1COCCO1)C(=O)[O-] ZINC000424525011 393646553 /nfs/dbraw/zinc/64/65/53/393646553.db2.gz VUKVLJJAXNHRPV-WDEREUQCSA-N -1 0 316.354 -0.619 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N(C)C[C@H](O)CO)c1 ZINC000424766555 393654512 /nfs/dbraw/zinc/65/45/12/393654512.db2.gz PXKGEFUWKQOXQG-WVDJIFEKSA-N -1 0 301.364 -0.386 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1)C(N)=O ZINC000426694139 393671609 /nfs/dbraw/zinc/67/16/09/393671609.db2.gz HNBUPAUJRZHPAW-JQWIXIFHSA-N -1 0 307.306 -0.691 20 0 DBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)NCCCC(=O)[O-] ZINC000645935455 393733267 /nfs/dbraw/zinc/73/32/67/393733267.db2.gz BRXWHQXKVNWGHF-UHFFFAOYSA-N -1 0 316.401 -0.948 20 0 DBADRM COCCOC1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000645967050 393736659 /nfs/dbraw/zinc/73/66/59/393736659.db2.gz OJBASVOENDJBFL-UHFFFAOYSA-N -1 0 324.399 -0.235 20 0 DBADRM COCCOC[C@H]1CCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000645986229 393737737 /nfs/dbraw/zinc/73/77/37/393737737.db2.gz IBKMFWJZHCUCRL-NSHDSACASA-N -1 0 324.399 -0.377 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCOC[C@]12CCOC2 ZINC000645995153 393738877 /nfs/dbraw/zinc/73/88/77/393738877.db2.gz ZOAYILBRLAXVGI-LLVKDONJSA-N -1 0 308.356 -0.871 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@@]2(CCOC2)O1 ZINC000645991493 393738929 /nfs/dbraw/zinc/73/89/29/393738929.db2.gz PYJQKBSNFPHIKH-ZYHUDNBSSA-N -1 0 322.383 -0.483 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@H](C)O1 ZINC000645987654 393738964 /nfs/dbraw/zinc/73/89/64/393738964.db2.gz SZWSHMLGVFIKFV-UWVGGRQHSA-N -1 0 310.372 -0.627 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@H](C)O1 ZINC000645987655 393739016 /nfs/dbraw/zinc/73/90/16/393739016.db2.gz SZWSHMLGVFIKFV-VHSXEESVSA-N -1 0 310.372 -0.627 20 0 DBADRM CCc1ccccc1-n1cc([O-])c(C(=O)NC[C@H](O)C(N)=O)n1 ZINC000646025116 393741970 /nfs/dbraw/zinc/74/19/70/393741970.db2.gz IZPRKNXOJWNQKO-NSHDSACASA-N -1 0 318.333 -0.284 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCN1CCOCC1 ZINC000646043123 393744197 /nfs/dbraw/zinc/74/41/97/393744197.db2.gz HNLMABILXJEBFO-ZDUSSCGKSA-N -1 0 320.411 -0.022 20 0 DBADRM CC[C@@H](NC(=O)NCCCC(=O)[O-])C(=O)N1CCOCC1 ZINC000646151642 393754654 /nfs/dbraw/zinc/75/46/54/393754654.db2.gz ICGJQJBVWDCGIN-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM CC(C)(C)N1CC[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1=O ZINC000646165992 393755527 /nfs/dbraw/zinc/75/55/27/393755527.db2.gz KXJMVDIYKYXPSU-VHSXEESVSA-N -1 0 313.354 -0.119 20 0 DBADRM CN1CCC[C@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1=O ZINC000646152313 393755534 /nfs/dbraw/zinc/75/55/34/393755534.db2.gz YIDSWDPIXUKJMT-JTQLQIEISA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])C1(CNC(=O)NC[C@H]2CCCNC2=O)CCOCC1 ZINC000646161694 393755542 /nfs/dbraw/zinc/75/55/42/393755542.db2.gz UCBOPCFXLDCDRA-SNVBAGLBSA-N -1 0 313.354 -0.307 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000646160426 393755557 /nfs/dbraw/zinc/75/55/57/393755557.db2.gz LYDQKXOVNLQROP-LPEHRKFASA-N -1 0 321.399 -0.133 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000487067491 393764005 /nfs/dbraw/zinc/76/40/05/393764005.db2.gz PFTBINKWYINDRZ-UHFFFAOYSA-N -1 0 316.387 -0.633 20 0 DBADRM COC(=O)NCCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000491254986 393809153 /nfs/dbraw/zinc/80/91/53/393809153.db2.gz IXDMKHFGIRFNSB-UHFFFAOYSA-N -1 0 323.356 -0.406 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)OC)C1 ZINC000491476163 393815713 /nfs/dbraw/zinc/81/57/13/393815713.db2.gz GGAOEPKYAQEVOX-SECBINFHSA-N -1 0 308.356 -0.443 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)OC)C1 ZINC000491488494 393815756 /nfs/dbraw/zinc/81/57/56/393815756.db2.gz MYUQIHCITQSOMU-UWVGGRQHSA-N -1 0 322.383 -0.054 20 0 DBADRM Cc1c(/C=C/C(=O)[N-]S(=O)(=O)c2ccnn2C)cnn1C ZINC000492596014 393832353 /nfs/dbraw/zinc/83/23/53/393832353.db2.gz WIGPTNQSLQNDEG-SNAWJCMRSA-N -1 0 309.351 -0.020 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCC(=O)N(C)C ZINC000134684486 292037430 /nfs/dbraw/zinc/03/74/30/292037430.db2.gz UYCMVXTVPAPGDI-UHFFFAOYSA-N -1 0 321.380 -0.314 20 0 DBADRM CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)NCCCC(=O)[O-] ZINC000420590812 285791395 /nfs/dbraw/zinc/79/13/95/285791395.db2.gz KUFAWRSJDGQXBO-VIFPVBQESA-N -1 0 302.327 -0.233 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000040393667 285939218 /nfs/dbraw/zinc/93/92/18/285939218.db2.gz PRZZMJVFJOFIHN-VHSXEESVSA-N -1 0 320.367 -0.192 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000262236154 286646767 /nfs/dbraw/zinc/64/67/67/286646767.db2.gz ZFMDKMPBQPBPRK-SNVBAGLBSA-N -1 0 318.395 -0.019 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000263161988 286648791 /nfs/dbraw/zinc/64/87/91/286648791.db2.gz YCEPZBAANHPSJP-ZJUUUORDSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@@H](C(=O)[O-])O1 ZINC000262087477 296805221 /nfs/dbraw/zinc/80/52/21/296805221.db2.gz AAGJRDHVRPOTPU-ZJUUUORDSA-N -1 0 319.379 -0.098 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000262194423 292451360 /nfs/dbraw/zinc/45/13/60/292451360.db2.gz TXISDKTXIMCNSE-UHFFFAOYSA-N -1 0 307.368 -0.239 20 0 DBADRM CC[C@@H]1COCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000115510783 287236125 /nfs/dbraw/zinc/23/61/25/287236125.db2.gz WHGNLQQEYXFVIO-SECBINFHSA-N -1 0 304.306 -0.138 20 0 DBADRM CO[C@](C)(CO)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000655213475 411629411 /nfs/dbraw/zinc/62/94/11/411629411.db2.gz UPVRTSXMNHRRKR-AWEZNQCLSA-N -1 0 322.321 -0.128 20 0 DBADRM C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C[C@@H]1O ZINC000388001224 411632648 /nfs/dbraw/zinc/63/26/48/411632648.db2.gz GAVVPURXGHJUCN-HQJQHLMTSA-N -1 0 300.336 -0.151 20 0 DBADRM COCCOCCN1CCN(C(=O)N=c2ncn(C)[n-]2)CC1 ZINC000650230113 411637000 /nfs/dbraw/zinc/63/70/00/411637000.db2.gz YSJFUTMZMDPJGJ-UHFFFAOYSA-N -1 0 312.374 -0.951 20 0 DBADRM Cc1[nH]nc([N-]S(=O)(=O)N2CCCOCC2)c1C(N)=O ZINC000650194005 411637340 /nfs/dbraw/zinc/63/73/40/411637340.db2.gz FZGNESHIBABDHN-UHFFFAOYSA-N -1 0 303.344 -0.804 20 0 DBADRM O=C(N=c1nc2n([n-]1)CCCC2)N1CC(N2CC[C@@H](O)C2)C1 ZINC000650240850 411640006 /nfs/dbraw/zinc/64/00/06/411640006.db2.gz WSHSCKLNGJKMQG-LLVKDONJSA-N -1 0 306.370 -0.681 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC000659133350 411710553 /nfs/dbraw/zinc/71/05/53/411710553.db2.gz GULHWXQAKZLQKC-VIFPVBQESA-N -1 0 311.342 -0.327 20 0 DBADRM O=C([O-])[C@]1(C(=O)NCCCN2C(=O)CNC2=O)CC=CCC1 ZINC000653295867 411712475 /nfs/dbraw/zinc/71/24/75/411712475.db2.gz ZWVDDNHKQKQKAF-CQSZACIVSA-N -1 0 309.322 -0.144 20 0 DBADRM NC(=O)CCn1ccc(=NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)[nH]1 ZINC000653296856 411714363 /nfs/dbraw/zinc/71/43/63/411714363.db2.gz BTORKSJAUQKXDX-CQSZACIVSA-N -1 0 306.322 -0.070 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000653297445 411715525 /nfs/dbraw/zinc/71/55/25/411715525.db2.gz SAHIPQZEBURWMK-MNOVXSKESA-N -1 0 318.395 -0.019 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)N(C)CCC(=O)[O-])[C@H]1CCO ZINC000662913707 411658260 /nfs/dbraw/zinc/65/82/60/411658260.db2.gz BAGCLWPUNASBCV-QWRGUYRKSA-N -1 0 300.355 -0.071 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[C@H]2C(=O)[O-])CC1 ZINC000132887424 411658543 /nfs/dbraw/zinc/65/85/43/411658543.db2.gz KLJIFZFBPFCCLM-VHSXEESVSA-N -1 0 304.368 -0.409 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC000663120664 411669791 /nfs/dbraw/zinc/66/97/91/411669791.db2.gz YAHSFWJDVQRVMP-UHFFFAOYSA-N -1 0 305.338 -0.115 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000650515835 411670010 /nfs/dbraw/zinc/67/00/10/411670010.db2.gz IOQAZGDMYKTHFI-GFCCVEGCSA-N -1 0 311.382 -0.138 20 0 DBADRM CCC[C@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC000036836649 411671700 /nfs/dbraw/zinc/67/17/00/411671700.db2.gz VMYSYLCIVLDGFA-QMMMGPOBSA-N -1 0 303.340 -0.344 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000038029993 411679469 /nfs/dbraw/zinc/67/94/69/411679469.db2.gz RRBYEZYXWYWDCH-VIFPVBQESA-N -1 0 316.339 -0.670 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CC[C@@](F)(CO)C1)C1CCC1 ZINC000663635662 411682755 /nfs/dbraw/zinc/68/27/55/411682755.db2.gz NEPVGGCJXCMUHV-YGRLFVJLSA-N -1 0 316.329 -0.464 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659055623 411687390 /nfs/dbraw/zinc/68/73/90/411687390.db2.gz LBFKMWXJGBCCLE-BDAKNGLRSA-N -1 0 323.305 -0.674 20 0 DBADRM O=C([O-])c1cc(N2CCN(C(=O)C(=O)NC3CC3)CC2)ccn1 ZINC000650766537 411688128 /nfs/dbraw/zinc/68/81/28/411688128.db2.gz NPUGKLPBYKKGGI-UHFFFAOYSA-N -1 0 318.333 -0.293 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000653298604 411718206 /nfs/dbraw/zinc/71/82/06/411718206.db2.gz XMWRKXPFCZRYRR-ZJUUUORDSA-N -1 0 306.384 -0.067 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NC[C@@H](O)C1CCC1 ZINC000659059185 411689286 /nfs/dbraw/zinc/68/92/86/411689286.db2.gz AABOHJLVTYTMKD-SNVBAGLBSA-N -1 0 307.306 -0.005 20 0 DBADRM CCn1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659067145 411689356 /nfs/dbraw/zinc/68/93/56/411689356.db2.gz XJAVDCDHBQVYPR-YMTOWFKASA-N -1 0 322.321 -0.599 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@H]2CCc3cnn(C)c3C2)[n-]n1 ZINC000650818507 411690090 /nfs/dbraw/zinc/69/00/90/411690090.db2.gz NLALRVCGFFCLQH-VIFPVBQESA-N -1 0 314.349 -0.265 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)CS(=O)(=O)C(C)C)[n-]n1 ZINC000650816497 411690552 /nfs/dbraw/zinc/69/05/52/411690552.db2.gz XUDALXNNAARCQW-UHFFFAOYSA-N -1 0 300.340 -0.980 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@H](CC2CCC2)NC(C)=O)[n-]n1 ZINC000650818285 411690647 /nfs/dbraw/zinc/69/06/47/411690647.db2.gz DNVAYMVIYGWVNU-GFCCVEGCSA-N -1 0 319.365 -0.109 20 0 DBADRM CCCC(=O)N1CCC[C@H]1C(=O)N=c1ccc(C(=O)NC)n[n-]1 ZINC000650816298 411690839 /nfs/dbraw/zinc/69/08/39/411690839.db2.gz QUQXSDHKGARWQQ-NSHDSACASA-N -1 0 319.365 -0.012 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@H](C)NC(=O)C2CCCC2)[n-]n1 ZINC000650818307 411690901 /nfs/dbraw/zinc/69/09/01/411690901.db2.gz FRSWQPPTZGCZAA-SECBINFHSA-N -1 0 319.365 -0.109 20 0 DBADRM CCC(=O)N1CCCC[C@@H]1C(=O)N=c1ccc(C(=O)NC)n[n-]1 ZINC000650815992 411691010 /nfs/dbraw/zinc/69/10/10/411691010.db2.gz GODRBMVEUPMDKJ-LLVKDONJSA-N -1 0 319.365 -0.012 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@H](C)NC(=O)C2CCCC2)[n-]n1 ZINC000650818308 411691382 /nfs/dbraw/zinc/69/13/82/411691382.db2.gz FRSWQPPTZGCZAA-VIFPVBQESA-N -1 0 319.365 -0.109 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@H]2CCc3ncncc3C2)[n-]n1 ZINC000650819032 411691491 /nfs/dbraw/zinc/69/14/91/411691491.db2.gz GGXWDSJXNGIKFA-SECBINFHSA-N -1 0 312.333 -0.208 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC000653278656 411701944 /nfs/dbraw/zinc/70/19/44/411701944.db2.gz DIQOMJKEROBOSS-SNVBAGLBSA-N -1 0 308.338 -0.296 20 0 DBADRM C[C@H](c1cccnc1)N1C(=O)C[C@H](NCc2nnn[n-]2)C1=O ZINC000653285215 411703072 /nfs/dbraw/zinc/70/30/72/411703072.db2.gz HXKQKIQGCJPWDP-SCZZXKLOSA-N -1 0 301.310 -0.427 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC000659145436 411734519 /nfs/dbraw/zinc/73/45/19/411734519.db2.gz LCPLJPWCWHJPAL-VHSXEESVSA-N -1 0 309.326 -0.452 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C2(n3cnnn3)CC2)cn1 ZINC000659149014 411739961 /nfs/dbraw/zinc/73/99/61/411739961.db2.gz QGAQJMSOLQWHMF-UHFFFAOYSA-N -1 0 305.298 -0.183 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)NC1(CC(=O)[O-])CCC1 ZINC000653321871 411742397 /nfs/dbraw/zinc/74/23/97/411742397.db2.gz BXGNWLPFUOMGOZ-UHFFFAOYSA-N -1 0 322.383 -0.544 20 0 DBADRM CCC[C@@H](NC(=O)Cn1nc2n(c1=O)CCCC2)c1nnn[n-]1 ZINC000651461980 411746510 /nfs/dbraw/zinc/74/65/10/411746510.db2.gz NCUVJGDHEBBGAU-SECBINFHSA-N -1 0 320.357 -0.448 20 0 DBADRM CCC[C@@H](NC(=O)[C@@H]1CCCS(=O)(=O)C1)c1nnn[n-]1 ZINC000651461592 411746777 /nfs/dbraw/zinc/74/67/77/411746777.db2.gz CKILVWOQQWNKSE-RKDXNWHRSA-N -1 0 301.372 -0.018 20 0 DBADRM CNS(=O)(=O)CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000653322950 411747626 /nfs/dbraw/zinc/74/76/26/411747626.db2.gz IHDAOQCYBPHHGY-ZDUSSCGKSA-N -1 0 314.363 -0.306 20 0 DBADRM C[C@@](CNC(=O)CN1CC(=O)NC1=O)(C(=O)[O-])c1ccccc1 ZINC000653322834 411749425 /nfs/dbraw/zinc/74/94/25/411749425.db2.gz GBQVZDSNLYWEAC-HNNXBMFYSA-N -1 0 319.317 -0.303 20 0 DBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2ccn3nnnc3c2)C1 ZINC000659160273 411752102 /nfs/dbraw/zinc/75/21/02/411752102.db2.gz IFZNGBKNEIGDLI-NXEZZACHSA-N -1 0 305.294 -0.172 20 0 DBADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000652070244 411753470 /nfs/dbraw/zinc/75/34/70/411753470.db2.gz OBJLIHHSGADDTB-CABZTGNLSA-N -1 0 304.368 -0.363 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1cccs1 ZINC000652068757 411753498 /nfs/dbraw/zinc/75/34/98/411753498.db2.gz ODQHPBJWOBKEIV-POYBYMJQSA-N -1 0 304.349 -0.318 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)c2ccccc21 ZINC000652067841 411753718 /nfs/dbraw/zinc/75/37/18/411753718.db2.gz JHYUKVCWZVQQCD-UWVGGRQHSA-N -1 0 310.331 -0.107 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccccc1 ZINC000652060898 411753851 /nfs/dbraw/zinc/75/38/51/411753851.db2.gz LCVZDXKUDUBBJC-QWRGUYRKSA-N -1 0 312.347 -0.337 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C2(n3cnnn3)CCCCC2)CCO1 ZINC000652059904 411753967 /nfs/dbraw/zinc/75/39/67/411753967.db2.gz IXEAEFLYTGRGEX-JTQLQIEISA-N -1 0 309.326 -0.356 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652056996 411754008 /nfs/dbraw/zinc/75/40/08/411754008.db2.gz PMFMCRHMBJRYJB-SFYZADRCSA-N -1 0 308.381 -0.903 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccccc1 ZINC000652060897 411754110 /nfs/dbraw/zinc/75/41/10/411754110.db2.gz LCVZDXKUDUBBJC-MNOVXSKESA-N -1 0 312.347 -0.337 20 0 DBADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000652070246 411754137 /nfs/dbraw/zinc/75/41/37/411754137.db2.gz OBJLIHHSGADDTB-SKDRFNHKSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@]1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CCCC[C@@H]1C(=O)[O-] ZINC000652067489 411754380 /nfs/dbraw/zinc/75/43/80/411754380.db2.gz ZWRHMGNBMNZSIA-PTRXPTGYSA-N -1 0 304.368 -0.172 20 0 DBADRM CCCN1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)CC1 ZINC000651531944 411755307 /nfs/dbraw/zinc/75/53/07/411755307.db2.gz ARPVONXPAVBDNP-UHFFFAOYSA-N -1 0 308.386 -0.226 20 0 DBADRM COC1(C[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C(=O)[O-])CCC1 ZINC000652106257 411756836 /nfs/dbraw/zinc/75/68/36/411756836.db2.gz DHYLIQBWBHGCAW-BDAKNGLRSA-N -1 0 307.368 -0.052 20 0 DBADRM CN1CC[C@@H](C(=O)NC[C@@H](CC2CC2)C(=O)[O-])S1(=O)=O ZINC000652098302 411757005 /nfs/dbraw/zinc/75/70/05/411757005.db2.gz WNYCNORINALDPY-ZJUUUORDSA-N -1 0 304.368 -0.363 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)C)C2)[n-]1 ZINC000651603165 411763171 /nfs/dbraw/zinc/76/31/71/411763171.db2.gz PFKWASDSXZLLKA-JTQLQIEISA-N -1 0 322.369 -0.655 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1nc2n(c1=O)CCCC2)c1nnn[n-]1 ZINC000651720821 411771400 /nfs/dbraw/zinc/77/14/00/411771400.db2.gz LLFWKKUITCDMKY-VIFPVBQESA-N -1 0 320.357 -0.844 20 0 DBADRM CCN1CCCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)CC1=O ZINC000651743863 411771710 /nfs/dbraw/zinc/77/17/10/411771710.db2.gz ILLUYOSKTMZVTD-UHFFFAOYSA-N -1 0 322.369 -0.700 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C[C@@H]1OC ZINC000651749925 411772685 /nfs/dbraw/zinc/77/26/85/411772685.db2.gz OIBVVCSIRJRTIV-AOOOYVTPSA-N -1 0 311.342 -0.908 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)NCCN2CC=CCC2)[n-]1 ZINC000651764342 411774005 /nfs/dbraw/zinc/77/40/05/411774005.db2.gz SWGRDUGWKKBFPK-UHFFFAOYSA-N -1 0 306.370 -0.403 20 0 DBADRM CCN1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)[C@H](C)C1 ZINC000651790299 411774909 /nfs/dbraw/zinc/77/49/09/411774909.db2.gz QNRKRYIEERNLSA-LLVKDONJSA-N -1 0 308.386 -0.228 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651842094 411777274 /nfs/dbraw/zinc/77/72/74/411777274.db2.gz IVGHPRCVOOFXAE-NXEZZACHSA-N -1 0 311.342 -0.861 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)Nc1ccc(C(=O)[O-])c(OC)n1 ZINC000565040840 411781607 /nfs/dbraw/zinc/78/16/07/411781607.db2.gz LVABANPPSSLQJJ-MRVPVSSYSA-N -1 0 317.367 0.528 20 0 DBADRM NS(=O)(=O)C1(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CC1 ZINC000651235936 411725678 /nfs/dbraw/zinc/72/56/78/411725678.db2.gz PFPHPKSQEJUESW-UHFFFAOYSA-N -1 0 324.318 -0.211 20 0 DBADRM O=C([O-])[C@H](CC1CC1)NC(=O)CC1(n2cnnn2)CCOCC1 ZINC000659142817 411725769 /nfs/dbraw/zinc/72/57/69/411725769.db2.gz RIJFPTXIHFSPNQ-NSHDSACASA-N -1 0 323.353 -0.062 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NCCCc1cc(=O)[nH][nH]1 ZINC000647717920 411794678 /nfs/dbraw/zinc/79/46/78/411794678.db2.gz WKLMJQUSUAJAON-UHFFFAOYSA-N -1 0 318.399 -0.570 20 0 DBADRM C[C@@H]1CN(C[C@H](O)CN2CCOC[C@@H]2C(=O)[O-])C[C@H](C)O1 ZINC000652358611 411796494 /nfs/dbraw/zinc/79/64/94/411796494.db2.gz XCNKKJCGMQJIFU-QNWHQSFQSA-N -1 0 302.371 -0.758 20 0 DBADRM C[C@@H]1CN(c2ccnc(N3CCOCC3)n2)C[C@H](C(=O)[O-])O1 ZINC000652536793 411805628 /nfs/dbraw/zinc/80/56/28/411805628.db2.gz LYBFZWMSKAHSGC-GHMZBOCLSA-N -1 0 308.338 -0.009 20 0 DBADRM C[C@@H]1CN(c2cc(N3CCOCC3)ncn2)C[C@H](C(=O)[O-])O1 ZINC000652537040 411805751 /nfs/dbraw/zinc/80/57/51/411805751.db2.gz XFTWIHDZNQLQNK-GHMZBOCLSA-N -1 0 308.338 -0.009 20 0 DBADRM Cc1cnc(C)c(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000652616176 411806753 /nfs/dbraw/zinc/80/67/53/411806753.db2.gz AODVTBXTJDHIQN-NSHDSACASA-N -1 0 307.306 -0.051 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000652618708 411807855 /nfs/dbraw/zinc/80/78/55/411807855.db2.gz SJPOCAQRWHDXII-AOOOYVTPSA-N -1 0 319.317 -0.368 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCCC(F)(F)C2)CCO1 ZINC000652660319 411810128 /nfs/dbraw/zinc/81/01/28/411810128.db2.gz LIMSHTLRJFMWMG-MRVPVSSYSA-N -1 0 306.265 -0.444 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCCC(F)(F)C2)CCO1 ZINC000652660320 411810205 /nfs/dbraw/zinc/81/02/05/411810205.db2.gz LIMSHTLRJFMWMG-QMMMGPOBSA-N -1 0 306.265 -0.444 20 0 DBADRM C[C@H](CO)C1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])CC1 ZINC000652660981 411810443 /nfs/dbraw/zinc/81/04/43/411810443.db2.gz YTQONFUIUFJBBE-SNVBAGLBSA-N -1 0 300.355 -0.214 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@H](C)CO1 ZINC000652662091 411810823 /nfs/dbraw/zinc/81/08/23/411810823.db2.gz IALALBLZRXFAOG-MXWKQRLJSA-N -1 0 314.338 -0.676 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000653341043 411814578 /nfs/dbraw/zinc/81/45/78/411814578.db2.gz YMPNGSCKYIOWIT-VIFPVBQESA-N -1 0 307.372 -0.777 20 0 DBADRM Cc1nn(CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(=O)n1C ZINC000655540627 411816712 /nfs/dbraw/zinc/81/67/12/411816712.db2.gz HYHVWZQUEMVXHB-NSHDSACASA-N -1 0 310.354 -0.006 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)CCOC(C)C ZINC000653343238 411816836 /nfs/dbraw/zinc/81/68/36/411816836.db2.gz QXJOZAGBJQZGIR-SNVBAGLBSA-N -1 0 324.399 -0.348 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1ccc2c(c1)C(=O)CC2)C(=O)[O-] ZINC000653491957 411865824 /nfs/dbraw/zinc/86/58/24/411865824.db2.gz QXPAYYITVXJISU-CYBMUJFWSA-N -1 0 313.331 -0.071 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCCN1CCCC1=O)C2 ZINC000659409420 411823402 /nfs/dbraw/zinc/82/34/02/411823402.db2.gz FNXWTHKMTCGHKN-QMTHXVAHSA-N -1 0 311.338 -0.649 20 0 DBADRM CCN1CCN(CC(=O)NC[C@H](C(=O)[O-])C(C)C)C(=O)C1=O ZINC000655570208 411835175 /nfs/dbraw/zinc/83/51/75/411835175.db2.gz YEOCHKIJNJHDFN-JTQLQIEISA-N -1 0 313.354 -0.850 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655573781 411835719 /nfs/dbraw/zinc/83/57/19/411835719.db2.gz AGNHFHZDEQNIFQ-UTINFBMNSA-N -1 0 318.395 -0.070 20 0 DBADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)C1(n2cnnn2)CCOCC1 ZINC000659243961 411835756 /nfs/dbraw/zinc/83/57/56/411835756.db2.gz XLHMKXDPXBMLCO-GWCFXTLKSA-N -1 0 323.353 -0.062 20 0 DBADRM C[C@H](NC(=O)Cn1ncn(C)c1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655577153 411835920 /nfs/dbraw/zinc/83/59/20/411835920.db2.gz WJJOASFFGSAKPL-LPEHRKFASA-N -1 0 310.354 -0.167 20 0 DBADRM C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655577151 411836338 /nfs/dbraw/zinc/83/63/38/411836338.db2.gz WJJOASFFGSAKPL-KXUCPTDWSA-N -1 0 310.354 -0.167 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000655600048 411836797 /nfs/dbraw/zinc/83/67/97/411836797.db2.gz WFNTXOMZLAXLFP-SCZZXKLOSA-N -1 0 315.351 -0.869 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)[C@H](O)C1CCOCC1 ZINC000655598365 411836860 /nfs/dbraw/zinc/83/68/60/411836860.db2.gz IKADYCHIZQDGEE-QWHCGFSZSA-N -1 0 308.334 -0.019 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000655600050 411837106 /nfs/dbraw/zinc/83/71/06/411837106.db2.gz WFNTXOMZLAXLFP-WPRPVWTQSA-N -1 0 315.351 -0.869 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)CN1CSCC1=O ZINC000655601038 411837844 /nfs/dbraw/zinc/83/78/44/411837844.db2.gz DQLROWUEVASJCQ-JTQLQIEISA-N -1 0 309.347 -0.274 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000659249089 411841092 /nfs/dbraw/zinc/84/10/92/411841092.db2.gz PREFTOUGVAXLNN-VHSXEESVSA-N -1 0 322.383 -0.688 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659649263 411858206 /nfs/dbraw/zinc/85/82/06/411858206.db2.gz TZDIHKQJYQFPRQ-JTQLQIEISA-N -1 0 308.338 -0.241 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCO[C@H]2CC2(F)F)C1 ZINC000659662547 411858956 /nfs/dbraw/zinc/85/89/56/411858956.db2.gz GNRBNORKFGSQNJ-SFYZADRCSA-N -1 0 306.265 -0.540 20 0 DBADRM CC(C)(C)N1C[C@H](CNC(=O)C(=O)NCCC(=O)[O-])CC1=O ZINC000659659403 411859100 /nfs/dbraw/zinc/85/91/00/411859100.db2.gz SQEYIZRGCYCRRT-VIFPVBQESA-N -1 0 313.354 -0.660 20 0 DBADRM CS(=O)(=O)c1nnc(NC(=O)c2ccc3cc[nH]c3n2)[n-]1 ZINC000360842008 411859447 /nfs/dbraw/zinc/85/94/47/411859447.db2.gz LGOVREXGNDUHBM-UHFFFAOYSA-N -1 0 306.307 0.337 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1cscn1 ZINC000659665943 411859572 /nfs/dbraw/zinc/85/95/72/411859572.db2.gz ZOLOKKKVFCVQKS-IONNQARKSA-N -1 0 313.335 -0.368 20 0 DBADRM CO[C@H](C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC000659761319 411886925 /nfs/dbraw/zinc/88/69/25/411886925.db2.gz FRRMCFORZBFZGJ-USWWRNFRSA-N -1 0 316.354 -0.524 20 0 DBADRM COc1cccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000124099195 411888091 /nfs/dbraw/zinc/88/80/91/411888091.db2.gz YXDLASLJUXLZIS-SECBINFHSA-N -1 0 302.308 -0.698 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000659199504 411896986 /nfs/dbraw/zinc/89/69/86/411896986.db2.gz SMMQNRKPXCYXTN-VHSXEESVSA-N -1 0 306.384 -0.020 20 0 DBADRM Cc1n[n-]c(=NC(=O)N2CCN(Cc3nc[nH]n3)CC2)s1 ZINC000649945073 411924580 /nfs/dbraw/zinc/92/45/80/411924580.db2.gz VMTJLKGHMDZQKX-UHFFFAOYSA-N -1 0 308.371 -0.264 20 0 DBADRM Cc1n[n-]c(=NC(=O)N2CC[C@H](n3cc(CO)nn3)C2)s1 ZINC000649945273 411924931 /nfs/dbraw/zinc/92/49/31/411924931.db2.gz ZFYYFRCFBUCENK-VIFPVBQESA-N -1 0 309.355 -0.169 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccnn2C)CC1=O ZINC000402821076 411928872 /nfs/dbraw/zinc/92/88/72/411928872.db2.gz MJFIGGMNDQMXLM-CABZTGNLSA-N -1 0 324.337 -0.843 20 0 DBADRM CNS(=O)(=O)c1ccc(NC(=O)NC[C@@H](C)C(=O)[O-])nc1 ZINC000653543212 411878271 /nfs/dbraw/zinc/87/82/71/411878271.db2.gz HAQWRYVLDKKRQJ-SSDOTTSWSA-N -1 0 316.339 -0.168 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000653558233 411881432 /nfs/dbraw/zinc/88/14/32/411881432.db2.gz SBHWYRATYMLCFQ-SECBINFHSA-N -1 0 308.356 -0.982 20 0 DBADRM CC(C)CN(CC(=O)[O-])C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400316922 411883311 /nfs/dbraw/zinc/88/33/11/411883311.db2.gz WOYSLEZTAJFNHL-JTQLQIEISA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@@H](CNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000655869423 411974711 /nfs/dbraw/zinc/97/47/11/411974711.db2.gz DORANKGELWTVAY-WCBMZHEXSA-N -1 0 309.326 -0.455 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655864558 411974821 /nfs/dbraw/zinc/97/48/21/411974821.db2.gz AQYHETZZUXOEJH-JTQLQIEISA-N -1 0 323.415 -0.030 20 0 DBADRM C[C@@H](CNC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)C(=O)[O-] ZINC000655886767 411975662 /nfs/dbraw/zinc/97/56/62/411975662.db2.gz HBAMZOGXHYEWFE-VIFPVBQESA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@H](CNC(=O)NC[C@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000655879375 411976066 /nfs/dbraw/zinc/97/60/66/411976066.db2.gz QCHUBZGWBDENAK-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM COCCN(C(=O)NC[C@H](C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000655889570 411976705 /nfs/dbraw/zinc/97/67/05/411976705.db2.gz SOIOVDVHQRKVIG-UWVGGRQHSA-N -1 0 322.383 -0.448 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1cncnc1N(C)C)C(=O)[O-] ZINC000655947047 411979647 /nfs/dbraw/zinc/97/96/47/411979647.db2.gz KBXFHFWQQVGQAF-SECBINFHSA-N -1 0 323.353 -0.046 20 0 DBADRM COc1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c(OC)n1 ZINC000655942501 411979702 /nfs/dbraw/zinc/97/97/02/411979702.db2.gz RAAHMSIQPXAGRK-ZETCQYMHSA-N -1 0 311.294 -0.126 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1cccc2c1oc(=O)n2C)C(=O)[O-] ZINC000655939142 411980128 /nfs/dbraw/zinc/98/01/28/411980128.db2.gz CDDZZTSLMTWUCI-ZETCQYMHSA-N -1 0 321.289 -0.093 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2)C(=O)[O-] ZINC000655942874 411980233 /nfs/dbraw/zinc/98/02/33/411980233.db2.gz XPAYLHABKWRVSZ-ZETCQYMHSA-N -1 0 321.289 -0.207 20 0 DBADRM COc1ncncc1NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655946184 411980794 /nfs/dbraw/zinc/98/07/94/411980794.db2.gz CXOOZKQDWZLDLE-MRVPVSSYSA-N -1 0 310.310 -0.103 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc(C(N)=O)c1 ZINC000655938881 411980826 /nfs/dbraw/zinc/98/08/26/411980826.db2.gz GZTYWFIUCAYNOQ-MRVPVSSYSA-N -1 0 307.306 -0.131 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1cc(N(C)C)ncn1)C(=O)[O-] ZINC000655945891 411980885 /nfs/dbraw/zinc/98/08/85/411980885.db2.gz FFUARAHEJYBELY-VIFPVBQESA-N -1 0 323.353 -0.046 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCCOC[C@H]1CCCO1)C(=O)[O-] ZINC000655978877 411981510 /nfs/dbraw/zinc/98/15/10/411981510.db2.gz WGMZMPUIAVGWQF-WDEREUQCSA-N -1 0 316.354 -0.475 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCCn1cncn1)C(=O)[O-] ZINC000655977091 411981574 /nfs/dbraw/zinc/98/15/74/411981574.db2.gz BXRVPXNNJKPFMR-JTQLQIEISA-N -1 0 311.342 -0.743 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000655979595 411981699 /nfs/dbraw/zinc/98/16/99/411981699.db2.gz IMIRUKLLHNNORZ-QMMMGPOBSA-N -1 0 307.306 -0.761 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCCn1ccnc1)C(=O)[O-] ZINC000655974625 411981956 /nfs/dbraw/zinc/98/19/56/411981956.db2.gz DDXVQFFTRRZYPD-NSHDSACASA-N -1 0 310.354 -0.138 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)n1 ZINC000655984277 411982467 /nfs/dbraw/zinc/98/24/67/411982467.db2.gz UKRVRYKRQJZEOF-SECBINFHSA-N -1 0 312.326 -0.490 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])[C@H]1OC ZINC000655994629 411982828 /nfs/dbraw/zinc/98/28/28/411982828.db2.gz UIKNIBZFKLMGLI-AXTSPUMRSA-N -1 0 302.327 -0.868 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(C)C1=O)C(=O)[O-] ZINC000655988387 411982958 /nfs/dbraw/zinc/98/29/58/411982958.db2.gz QIFZSEAFPWFOEH-NXEZZACHSA-N -1 0 313.354 -0.804 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@@H](Nc2ncccn2)C1)C(=O)[O-] ZINC000656000155 411983184 /nfs/dbraw/zinc/98/31/84/411983184.db2.gz RONQHGREWCDVDH-NXEZZACHSA-N -1 0 321.337 -0.674 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC(=O)N1)C(=O)[O-] ZINC000655989090 411983251 /nfs/dbraw/zinc/98/32/51/411983251.db2.gz WFLNKOKTJFJERP-UWVGGRQHSA-N -1 0 313.354 -0.756 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655990539 411983441 /nfs/dbraw/zinc/98/34/41/411983441.db2.gz FHSBQNGYXYFDGT-IVZWLZJFSA-N -1 0 302.327 -0.867 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)[O-] ZINC000655993197 411983497 /nfs/dbraw/zinc/98/34/97/411983497.db2.gz LHCVTDLXLQYFLE-BDAKNGLRSA-N -1 0 313.354 -0.661 20 0 DBADRM CO[C@@H]1[C@H](C)[C@@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1(C)C ZINC000655994624 411983642 /nfs/dbraw/zinc/98/36/42/411983642.db2.gz UDYHBSTYKICDFL-ZYUZMQFOSA-N -1 0 300.355 -0.001 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)s1 ZINC000655986948 411983773 /nfs/dbraw/zinc/98/37/73/411983773.db2.gz IMLWHQPXUMVKGW-MRVPVSSYSA-N -1 0 314.367 -0.064 20 0 DBADRM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655989989 411983911 /nfs/dbraw/zinc/98/39/11/411983911.db2.gz GEZZCEPCJGNTOK-BDAKNGLRSA-N -1 0 324.381 -0.079 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000655989222 411983934 /nfs/dbraw/zinc/98/39/34/411983934.db2.gz WOZGUTSGJWCPSC-BDAKNGLRSA-N -1 0 322.383 -0.991 20 0 DBADRM CC(C)C[C@H](CCO)CNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655993049 411983940 /nfs/dbraw/zinc/98/39/40/411983940.db2.gz KITQZBWDDHKGMN-QWRGUYRKSA-N -1 0 302.371 -0.016 20 0 DBADRM COC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])[C@H]1CCCO1 ZINC000655994090 411984006 /nfs/dbraw/zinc/98/40/06/411984006.db2.gz RODKNOQAFWWFFU-KXUCPTDWSA-N -1 0 302.327 -0.867 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC(c2c[nH]cn2)CC1)C(=O)[O-] ZINC000656002764 411984383 /nfs/dbraw/zinc/98/43/83/411984383.db2.gz IYBAPZORDORMOD-VIFPVBQESA-N -1 0 308.338 -0.047 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1)C(=O)[O-] ZINC000656004613 411984425 /nfs/dbraw/zinc/98/44/25/411984425.db2.gz GHGONYUUKYMKTR-WCBMZHEXSA-N -1 0 311.338 -0.907 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@H](c2nccn2C)C1)C(=O)[O-] ZINC000656001390 411984595 /nfs/dbraw/zinc/98/45/95/411984595.db2.gz GTJMSKDINWXNCQ-UWVGGRQHSA-N -1 0 308.338 -0.427 20 0 DBADRM Cc1noc(C2CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC2)n1 ZINC000656001833 411984905 /nfs/dbraw/zinc/98/49/05/411984905.db2.gz NGACMMYFEOQVOO-QMMMGPOBSA-N -1 0 324.337 -0.079 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[C@H](C)O)C(=O)[O-] ZINC000656005409 411985234 /nfs/dbraw/zinc/98/52/34/411985234.db2.gz ZOPIOAKEUOADLR-OUAUKWLOSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC(c2c[nH]cn2)CC1)C(=O)[O-] ZINC000656002763 411985279 /nfs/dbraw/zinc/98/52/79/411985279.db2.gz IYBAPZORDORMOD-SECBINFHSA-N -1 0 308.338 -0.047 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1)C(=O)[O-] ZINC000656004614 411985354 /nfs/dbraw/zinc/98/53/54/411985354.db2.gz GHGONYUUKYMKTR-WPRPVWTQSA-N -1 0 311.338 -0.907 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)C(=O)[O-] ZINC000656005895 411985975 /nfs/dbraw/zinc/98/59/75/411985975.db2.gz MYHFIOLQYJZCFG-NTSWFWBYSA-N -1 0 300.233 -0.795 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H](c2cc[nH]n2)C1)C(=O)[O-] ZINC000656006388 411986596 /nfs/dbraw/zinc/98/65/96/411986596.db2.gz XMMWBZOMRXIHGO-ZJUUUORDSA-N -1 0 308.338 -0.047 20 0 DBADRM CNC(=O)CCCN(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000656010729 411986600 /nfs/dbraw/zinc/98/66/00/411986600.db2.gz PTIXZYWDNNVSRA-SNVBAGLBSA-N -1 0 315.370 -0.556 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCc2c[nH]nc2C1)C(=O)[O-] ZINC000656007946 411986620 /nfs/dbraw/zinc/98/66/20/411986620.db2.gz CCAFRUQXWYWVFN-JTQLQIEISA-N -1 0 308.338 -0.233 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC(n2ccnc2)CC1)C(=O)[O-] ZINC000656006777 411986670 /nfs/dbraw/zinc/98/66/70/411986670.db2.gz UTJQZTFULMIBNG-JTQLQIEISA-N -1 0 308.338 -0.117 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1)C(=O)[O-] ZINC000656009002 411986832 /nfs/dbraw/zinc/98/68/32/411986832.db2.gz PJFWWYWJKAIZMK-UWVGGRQHSA-N -1 0 313.354 -0.852 20 0 DBADRM COc1ccc(CN(C)C(=O)C(=O)NC[C@@H](C)C(=O)[O-])cn1 ZINC000656004836 411986882 /nfs/dbraw/zinc/98/68/82/411986882.db2.gz SJJHCEHLCBCAOH-SECBINFHSA-N -1 0 309.322 -0.115 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCn2cnnc2C1)C(=O)[O-] ZINC000656008217 411986895 /nfs/dbraw/zinc/98/68/95/411986895.db2.gz GCYRORMDANYSNJ-VIFPVBQESA-N -1 0 309.326 -0.907 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@](F)(CO)C1)C(=O)[O-] ZINC000656008460 411986906 /nfs/dbraw/zinc/98/69/06/411986906.db2.gz JGRIQVOASMZMQP-TVQRCGJNSA-N -1 0 304.318 -0.608 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656007743 411986917 /nfs/dbraw/zinc/98/69/17/411986917.db2.gz MESLSKSWCROQLU-DTWKUNHWSA-N -1 0 322.383 -0.895 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CCO1 ZINC000656014239 411987015 /nfs/dbraw/zinc/98/70/15/411987015.db2.gz VCYKVYQCNQVIKG-MNOVXSKESA-N -1 0 316.354 -0.667 20 0 DBADRM COCCOC1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000656008098 411987122 /nfs/dbraw/zinc/98/71/22/411987122.db2.gz DZDTZKMTGJPMBF-LLVKDONJSA-N -1 0 316.354 -0.667 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCSC[C@H]1CCO)C(=O)[O-] ZINC000656004714 411987220 /nfs/dbraw/zinc/98/72/20/411987220.db2.gz HKCDXPGXTXBKMG-DTWKUNHWSA-N -1 0 304.368 -0.850 20 0 DBADRM Cc1nccn1CCCN(C)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656004868 411987224 /nfs/dbraw/zinc/98/72/24/411987224.db2.gz SVALLCAIXDOZMP-JTQLQIEISA-N -1 0 310.354 -0.123 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](n2cncn2)C1)C(=O)[O-] ZINC000656010716 411987264 /nfs/dbraw/zinc/98/72/64/411987264.db2.gz PJAAEWWMPNFIKO-WDEREUQCSA-N -1 0 323.353 -0.476 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000656006665 411987313 /nfs/dbraw/zinc/98/73/13/411987313.db2.gz YVBATLZOWVQSGZ-UTLUCORTSA-N -1 0 311.338 -0.907 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N(C)Cc1nccn1C)C(=O)[O-] ZINC000656012788 411988058 /nfs/dbraw/zinc/98/80/58/411988058.db2.gz IFXDTGKKRQOFBP-SNVBAGLBSA-N -1 0 310.354 -0.149 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N(C)Cc1cnccn1)C(=O)[O-] ZINC000656012097 411988359 /nfs/dbraw/zinc/98/83/59/411988359.db2.gz ZFMUDFSBRVMZJU-NSHDSACASA-N -1 0 308.338 -0.092 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C(=O)[C@H]1C)C(=O)[O-] ZINC000656012582 411988424 /nfs/dbraw/zinc/98/84/24/411988424.db2.gz GMXOHEXGLCIRPH-NXEZZACHSA-N -1 0 313.354 -0.852 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000656102341 411996457 /nfs/dbraw/zinc/99/64/57/411996457.db2.gz IQWOSMHVTUBZKZ-WCBMZHEXSA-N -1 0 324.337 -0.094 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000656102342 411996541 /nfs/dbraw/zinc/99/65/41/411996541.db2.gz IQWOSMHVTUBZKZ-WPRPVWTQSA-N -1 0 324.337 -0.094 20 0 DBADRM CO[C@@H](C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[O-])C1CC1 ZINC000656168133 411996925 /nfs/dbraw/zinc/99/69/25/411996925.db2.gz CZYNYPXHKDZCTP-QWRGUYRKSA-N -1 0 317.367 -0.033 20 0 DBADRM Cc1nc(S(=O)(=O)NCc2nocc2C(=O)[O-])cn1C ZINC000656164319 411997336 /nfs/dbraw/zinc/99/73/36/411997336.db2.gz FYAGQOZKBSBXHQ-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM CO[C@@H](C[C@@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-])C1CC1 ZINC000656170596 411998987 /nfs/dbraw/zinc/99/89/87/411998987.db2.gz ZAPXRMXZWIRSAV-MNOVXSKESA-N -1 0 322.383 -0.579 20 0 DBADRM CO[C@@H](C[C@H](NS(=O)(=O)c1cn(C)cn1)C(=O)[O-])C1CC1 ZINC000656169744 411999281 /nfs/dbraw/zinc/99/92/81/411999281.db2.gz QNJCDBLEVSCYCJ-UWVGGRQHSA-N -1 0 317.367 -0.033 20 0 DBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)c1 ZINC000656509156 412007131 /nfs/dbraw/zinc/00/71/31/412007131.db2.gz NCALXJSTQWHVEI-OIBJUYFYSA-N -1 0 316.335 -0.794 20 0 DBADRM CO[C@@H](CNS(=O)(=O)N1CCC(OC)CC1)CC(=O)[O-] ZINC000656515634 412007167 /nfs/dbraw/zinc/00/71/67/412007167.db2.gz KQJLVNKQWBNRHM-SNVBAGLBSA-N -1 0 310.372 -0.579 20 0 DBADRM CO[C@H](CNS(=O)(=O)N1CCC(OC)CC1)CC(=O)[O-] ZINC000656515633 412007235 /nfs/dbraw/zinc/00/72/35/412007235.db2.gz KQJLVNKQWBNRHM-JTQLQIEISA-N -1 0 310.372 -0.579 20 0 DBADRM O=C([O-])[C@H]1N(S(=O)(=O)N2CCOCC2)CC12CCCC2 ZINC000656526524 412007280 /nfs/dbraw/zinc/00/72/80/412007280.db2.gz PXCGCKXDYBKXBU-SNVBAGLBSA-N -1 0 304.368 -0.107 20 0 DBADRM O=C([O-])[C@@]1(CC(=O)NCC[C@@]2(O)CCCOC2)CCOC1 ZINC000656483721 412007391 /nfs/dbraw/zinc/00/73/91/412007391.db2.gz DCNVMBBBSUZCMS-KGLIPLIRSA-N -1 0 301.339 -0.084 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000656514182 412007713 /nfs/dbraw/zinc/00/77/13/412007713.db2.gz LYRRCOOTRDPELD-GHMZBOCLSA-N -1 0 306.384 -0.270 20 0 DBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1 ZINC000656510116 412007791 /nfs/dbraw/zinc/00/77/91/412007791.db2.gz GGNWHJOCGANLTN-JTQLQIEISA-N -1 0 316.335 -0.792 20 0 DBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656562445 412008638 /nfs/dbraw/zinc/00/86/38/412008638.db2.gz QFCPITXWKKIZLV-UFGOTCBOSA-N -1 0 318.395 -0.006 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656563182 412008840 /nfs/dbraw/zinc/00/88/40/412008840.db2.gz ZZCWJNRDCKBLOG-CKYFFXLPSA-N -1 0 304.368 -0.252 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCOC[C@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC000656562587 412008875 /nfs/dbraw/zinc/00/88/75/412008875.db2.gz JWWJTWJTVSRAEH-OUAUKWLOSA-N -1 0 323.367 -0.847 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC000656562416 412009048 /nfs/dbraw/zinc/00/90/48/412009048.db2.gz JFBSGMWSHFEMKE-GMTAPVOTSA-N -1 0 323.367 -0.847 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)C[C@@H]1CCCO1)C2 ZINC000656563175 412009121 /nfs/dbraw/zinc/00/91/21/412009121.db2.gz ZOVOZBNJHBGVNP-JFGNBEQYSA-N -1 0 305.352 -0.472 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCOC[C@H]1C(=O)[O-])[C@H]1CCOC1 ZINC000656562584 412009237 /nfs/dbraw/zinc/00/92/37/412009237.db2.gz JWWJTWJTVSRAEH-GARJFASQSA-N -1 0 323.367 -0.847 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)CC[C@@H]1CCCO1)C2 ZINC000656562572 412009554 /nfs/dbraw/zinc/00/95/54/412009554.db2.gz TWACQRTUWHBDJR-NTZNESFSSA-N -1 0 319.379 -0.082 20 0 DBADRM Nc1cccc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000656563139 412009721 /nfs/dbraw/zinc/00/97/21/412009721.db2.gz YJVJLLHCVQOBDM-NOZJJQNGSA-N -1 0 312.347 -0.010 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-]c1n[nH]cc1C(N)=O)[C@H]1CCOC1 ZINC000656629808 412010435 /nfs/dbraw/zinc/01/04/35/412010435.db2.gz YPEOHAKLPVNHPF-IONNQARKSA-N -1 0 318.355 -0.698 20 0 DBADRM NC(=O)c1cccc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000656602533 412011104 /nfs/dbraw/zinc/01/11/04/412011104.db2.gz HVEKHSVJPNBESP-XLKFXECMSA-N -1 0 320.305 -0.255 20 0 DBADRM CC(C)(CNC(=O)N1CC2CC1(C(=O)[O-])C2)NS(C)(=O)=O ZINC000656580365 412011187 /nfs/dbraw/zinc/01/11/87/412011187.db2.gz HGPKWCKVRAHOOP-UHFFFAOYSA-N -1 0 319.383 -0.427 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NC[C@H](OC)[C@H]1CCOC1 ZINC000656585965 412011219 /nfs/dbraw/zinc/01/12/19/412011219.db2.gz HSEQLYJMIWKAPT-QWRGUYRKSA-N -1 0 304.343 -0.220 20 0 DBADRM CN(C[C@@H]1COCCO1)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000656721237 412011914 /nfs/dbraw/zinc/01/19/14/412011914.db2.gz JANAMUZXPPJURO-SECBINFHSA-N -1 0 316.335 -0.184 20 0 DBADRM C[C@@]12COC[C@@H]1CN(S(=O)(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC000656732412 412011954 /nfs/dbraw/zinc/01/19/54/412011954.db2.gz XNEHEMJJCMSWLF-WCQYABFASA-N -1 0 318.395 -0.004 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000656716034 412012262 /nfs/dbraw/zinc/01/22/62/412012262.db2.gz CXMHCXUHZNEYPS-GZMMTYOYSA-N -1 0 315.303 -0.064 20 0 DBADRM COCCN(CCF)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000656719924 412012453 /nfs/dbraw/zinc/01/24/53/412012453.db2.gz REZRGWCSSSEIHM-UHFFFAOYSA-N -1 0 312.363 -0.054 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCO[C@H]1CC1(F)F ZINC000656719290 412012507 /nfs/dbraw/zinc/01/25/07/412012507.db2.gz HOHGXEZOZWOXLP-ZETCQYMHSA-N -1 0 302.299 -0.349 20 0 DBADRM CCn1cc(CNS(=O)(=O)c2cccnc2C(=O)[O-])nn1 ZINC000656722071 412012550 /nfs/dbraw/zinc/01/25/50/412012550.db2.gz ONGILBQCDQONKP-UHFFFAOYSA-N -1 0 311.323 -0.130 20 0 DBADRM COC[C@H](CCNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)OC ZINC000656717302 412012604 /nfs/dbraw/zinc/01/26/04/412012604.db2.gz MRWYLDSVBUWNEM-MNOVXSKESA-N -1 0 324.399 -0.331 20 0 DBADRM CN(C[C@@H]1COCCO1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000656721309 412012726 /nfs/dbraw/zinc/01/27/26/412012726.db2.gz LCCKMGCFYFHJFQ-SECBINFHSA-N -1 0 319.339 -0.996 20 0 DBADRM NC(=O)c1cn(C2CN(S(=O)(=O)c3ccccc3[O-])C2)nn1 ZINC000656953167 412017405 /nfs/dbraw/zinc/01/74/05/412017405.db2.gz IPNOJZNHHXLANC-UHFFFAOYSA-N -1 0 323.334 -0.672 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccccc2[O-])C1 ZINC000656941503 412017930 /nfs/dbraw/zinc/01/79/30/412017930.db2.gz KSOQNUJUDXZSGV-VIFPVBQESA-N -1 0 320.392 -0.296 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000654853668 411952304 /nfs/dbraw/zinc/95/23/04/411952304.db2.gz GNNUSXZZJYIGTK-HNNXBMFYSA-N -1 0 315.333 -0.026 20 0 DBADRM O=C1CO[C@H]2CCN(S(=O)(=O)c3ccccc3[O-])C[C@@H]2N1 ZINC000657008941 412023592 /nfs/dbraw/zinc/02/35/92/412023592.db2.gz IFRQWQUYETVXTK-ONGXEEELSA-N -1 0 312.347 -0.330 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccccc1[O-] ZINC000657100256 412029678 /nfs/dbraw/zinc/02/96/78/412029678.db2.gz KVHHZFHWWVPEFA-SCZZXKLOSA-N -1 0 321.376 -0.518 20 0 DBADRM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ncc[nH]2)cc1 ZINC000311736737 412036195 /nfs/dbraw/zinc/03/61/95/412036195.db2.gz RYDFXJJIDMUTSK-UHFFFAOYSA-N -1 0 302.337 -0.142 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCC(=O)NCC1CC1 ZINC000659058776 412076662 /nfs/dbraw/zinc/07/66/62/412076662.db2.gz OGRHGCIQBVTTDD-UHFFFAOYSA-N -1 0 320.305 -0.639 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@@H]1OC ZINC000659057786 412076915 /nfs/dbraw/zinc/07/69/15/412076915.db2.gz FPWNTPJFEHRSGZ-AOOOYVTPSA-N -1 0 323.305 -0.410 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCC[C@](O)(CO)C1 ZINC000659060263 412077070 /nfs/dbraw/zinc/07/70/70/412077070.db2.gz KVJAUVKHPINFQZ-CQSZACIVSA-N -1 0 323.305 -0.936 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@@H](CO)O1 ZINC000659058676 412077191 /nfs/dbraw/zinc/07/71/91/412077191.db2.gz ONAKJYYJHMTBNI-IUCAKERBSA-N -1 0 323.305 -0.674 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C[C@@H]1O ZINC000659055410 412077264 /nfs/dbraw/zinc/07/72/64/412077264.db2.gz HEDOKXYCYUUNOV-IUCAKERBSA-N -1 0 324.337 -0.520 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659059476 412077488 /nfs/dbraw/zinc/07/74/88/412077488.db2.gz QWCATOKXRYAIAW-QMMMGPOBSA-N -1 0 322.321 -0.299 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@H](CO)O1 ZINC000659058675 412077522 /nfs/dbraw/zinc/07/75/22/412077522.db2.gz ONAKJYYJHMTBNI-DTWKUNHWSA-N -1 0 323.305 -0.674 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC000659226602 412083989 /nfs/dbraw/zinc/08/39/89/412083989.db2.gz FDAMUOGEXHDAIP-RKDXNWHRSA-N -1 0 305.352 -0.298 20 0 DBADRM CCNC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000659064654 412077911 /nfs/dbraw/zinc/07/79/11/412077911.db2.gz PGSUQPUVRXULTP-MRVPVSSYSA-N -1 0 307.306 -0.036 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2)C(=O)[O-] ZINC000659063362 412078370 /nfs/dbraw/zinc/07/83/70/412078370.db2.gz XQCZJRYZZCHGBF-MRVPVSSYSA-N -1 0 319.317 -0.158 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000659172060 412080992 /nfs/dbraw/zinc/08/09/92/412080992.db2.gz CNXUOYOQRUWNAN-MRTMQBJTSA-N -1 0 302.352 -0.344 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C1(n2cnnn2)CCOCC1)CC1CC1 ZINC000659162851 412081226 /nfs/dbraw/zinc/08/12/26/412081226.db2.gz BPQGMTSYUXGMEX-LLVKDONJSA-N -1 0 323.353 -0.204 20 0 DBADRM C[C@@H]1CN(C(=O)Cc2nnn(C(C)(C)C)n2)C[C@H](C(=O)[O-])O1 ZINC000659164144 412081268 /nfs/dbraw/zinc/08/12/68/412081268.db2.gz OYXXHOITGQPNGV-RKDXNWHRSA-N -1 0 311.342 -0.329 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000659411511 412086839 /nfs/dbraw/zinc/08/68/39/412086839.db2.gz NLUYBHYLFWLJRD-OPRDCNLKSA-N -1 0 322.383 -0.546 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000659409023 412087364 /nfs/dbraw/zinc/08/73/64/412087364.db2.gz XKPIVVWCFDJNNH-BDAKNGLRSA-N -1 0 322.383 -0.402 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659405734 412087387 /nfs/dbraw/zinc/08/73/87/412087387.db2.gz LHRYCQMRPASKEO-BSTOTGJRSA-N -1 0 300.311 -0.857 20 0 DBADRM C[C@@H](CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC000659400036 412087483 /nfs/dbraw/zinc/08/74/83/412087483.db2.gz MGULVKOKYPCORG-YGOYTEALSA-N -1 0 320.367 -0.838 20 0 DBADRM C[C@@]1(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCC(=O)N1 ZINC000659405750 412087501 /nfs/dbraw/zinc/08/75/01/412087501.db2.gz LQQHWVDAXFYJDH-BIGNPOOSSA-N -1 0 311.338 -0.602 20 0 DBADRM CCn1cc(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nn1 ZINC000659412413 412087618 /nfs/dbraw/zinc/08/76/18/412087618.db2.gz IXMWZBLQBZAFBH-NOZJJQNGSA-N -1 0 309.326 -0.459 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000659413078 412087723 /nfs/dbraw/zinc/08/77/23/412087723.db2.gz OMLMHJJWIFYQPA-VHSXEESVSA-N -1 0 320.367 -0.695 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCCC(=O)[O-])CCN1S(C)(=O)=O ZINC000659407393 412087748 /nfs/dbraw/zinc/08/77/48/412087748.db2.gz HGMPGZFPTHMREH-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1ccncc1)C2 ZINC000659645566 412096566 /nfs/dbraw/zinc/09/65/66/412096566.db2.gz ZKMFLQYEJPZYBW-IAQYHMDHSA-N -1 0 319.317 -0.743 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659645937 412097023 /nfs/dbraw/zinc/09/70/23/412097023.db2.gz CPQGTMJBHCBJNL-JTQLQIEISA-N -1 0 308.338 -0.241 20 0 DBADRM Cn1ncc(C2CC2)c1CNC(=O)C(=O)NCCCC(=O)[O-] ZINC000659654618 412098247 /nfs/dbraw/zinc/09/82/47/412098247.db2.gz ALCDLDYCIRPJES-UHFFFAOYSA-N -1 0 308.338 -0.105 20 0 DBADRM C[C@H]1CCC[C@H]1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659651702 412098760 /nfs/dbraw/zinc/09/87/60/412098760.db2.gz ZYOSATFIRDESID-MYQWFSQQSA-N -1 0 310.350 -0.149 20 0 DBADRM Cn1cc(CCCNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cn1 ZINC000659650843 412098862 /nfs/dbraw/zinc/09/88/62/412098862.db2.gz NUWDNKZFITZQKA-UHFFFAOYSA-N -1 0 322.365 -0.160 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)n2ncnc21)C(=O)[O-] ZINC000659661394 412099781 /nfs/dbraw/zinc/09/97/81/412099781.db2.gz ISUMIOGVBANSJY-KXUCPTDWSA-N -1 0 323.353 -0.127 20 0 DBADRM CN1c2ccccc2C[C@H](NC(=O)C(=O)NCCC(=O)[O-])C1=O ZINC000659658766 412099945 /nfs/dbraw/zinc/09/99/45/412099945.db2.gz MDXXVDAMVHAOHX-JTQLQIEISA-N -1 0 319.317 -0.719 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000659661174 412099990 /nfs/dbraw/zinc/09/99/90/412099990.db2.gz XTSOPVPBCHRCNU-JTQLQIEISA-N -1 0 316.354 -0.523 20 0 DBADRM CC1(C)[C@@H](CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1(F)F ZINC000659663517 412100030 /nfs/dbraw/zinc/10/00/30/412100030.db2.gz GDSQFDXRUYBKOQ-HTQZYQBOSA-N -1 0 320.292 -0.294 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)C(=O)N[C@H]2CCNC2=O)cc1 ZINC000659659095 412100058 /nfs/dbraw/zinc/10/00/58/412100058.db2.gz PQNPFKDPCCKMGW-JTQLQIEISA-N -1 0 305.290 -0.994 20 0 DBADRM Cn1ncc(C2CC2)c1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000659666446 412100298 /nfs/dbraw/zinc/10/02/98/412100298.db2.gz ZRJCRWHHNUQXAT-JTQLQIEISA-N -1 0 320.349 -0.153 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CCO)C(=O)[O-] ZINC000659663007 412100410 /nfs/dbraw/zinc/10/04/10/412100410.db2.gz WEVKBFUAQGSSQE-AXFHLTTASA-N -1 0 300.355 -0.167 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)NCCO[C@H]2CC2(F)F)CC1 ZINC000659665980 412100495 /nfs/dbraw/zinc/10/04/95/412100495.db2.gz ZVLVYGXJYIUJJS-VIFPVBQESA-N -1 0 320.292 -0.150 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3COC[C@@H]3C2)C1 ZINC000659661706 412100508 /nfs/dbraw/zinc/10/05/08/412100508.db2.gz XCHHIHINRDKWMK-WYUUTHIRSA-N -1 0 310.350 -0.149 20 0 DBADRM CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659656604 412100577 /nfs/dbraw/zinc/10/05/77/412100577.db2.gz UDIMVRSNQJIDJS-JNIYBQFBSA-N -1 0 310.350 -0.293 20 0 DBADRM CC(=O)NCc1ccc(CNC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000659658549 412100676 /nfs/dbraw/zinc/10/06/76/412100676.db2.gz LPDUJLPMIGZJLR-UHFFFAOYSA-N -1 0 321.333 -0.470 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3COC[C@H]3C2)C1 ZINC000659661704 412100892 /nfs/dbraw/zinc/10/08/92/412100892.db2.gz XCHHIHINRDKWMK-KXNHARMFSA-N -1 0 310.350 -0.149 20 0 DBADRM CNC(=O)CCCN(C)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659669911 412101400 /nfs/dbraw/zinc/10/14/00/412101400.db2.gz YJRHLKPEQAGLHX-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@H](CCCO)C2)CCC1 ZINC000659671398 412101555 /nfs/dbraw/zinc/10/15/55/412101555.db2.gz ZGNXAWPPWAVNAT-NSHDSACASA-N -1 0 312.366 -0.022 20 0 DBADRM CCN(CC(C)(C)O)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659667803 412101635 /nfs/dbraw/zinc/10/16/35/412101635.db2.gz DDDGUHOZBHPDIX-UHFFFAOYSA-N -1 0 300.355 -0.023 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CCO1 ZINC000659669448 412101799 /nfs/dbraw/zinc/10/17/99/412101799.db2.gz HMHODCQMVVQNAN-SNVBAGLBSA-N -1 0 314.338 -0.769 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)C(=O)NCC1(C(=O)[O-])CCC1)C2 ZINC000659669784 412101829 /nfs/dbraw/zinc/10/18/29/412101829.db2.gz KCWSVVUSAZVJBW-UHFFFAOYSA-N -1 0 321.337 -0.700 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CCC1 ZINC000659669205 412101996 /nfs/dbraw/zinc/10/19/96/412101996.db2.gz QGSYQMXCGTYADF-UHFFFAOYSA-N -1 0 323.349 -0.809 20 0 DBADRM CCN(C(=O)CNS(=O)(=O)c1cnn(C)c1)[C@@H](C)C(=O)[O-] ZINC000659770529 412122624 /nfs/dbraw/zinc/12/26/24/412122624.db2.gz GHMOYCLHPVBWEC-QMMMGPOBSA-N -1 0 318.355 -0.980 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000659760997 412122750 /nfs/dbraw/zinc/12/27/50/412122750.db2.gz WIFRKOSZVIJOKR-LLVKDONJSA-N -1 0 319.317 0.000 20 0 DBADRM CC(=O)NCCN(C(=O)c1cnc2n1CCC2)[C@@H](C)C(=O)[O-] ZINC000659761286 412123223 /nfs/dbraw/zinc/12/32/23/412123223.db2.gz DXNLBIUCCOBLDR-VIFPVBQESA-N -1 0 308.338 -0.119 20 0 DBADRM NS(=O)(=O)CCCNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659752927 412123236 /nfs/dbraw/zinc/12/32/36/412123236.db2.gz IKXVFRYVQVKCDI-UHFFFAOYSA-N -1 0 316.335 -0.442 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCC1 ZINC000659780668 412124227 /nfs/dbraw/zinc/12/42/27/412124227.db2.gz QCICQZPVVABIRH-BXKDBHETSA-N -1 0 317.363 -0.487 20 0 DBADRM CNc1nc(C)cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659779694 412124650 /nfs/dbraw/zinc/12/46/50/412124650.db2.gz LYUAPLGPDGHKFK-YMTOWFKASA-N -1 0 306.322 0.000 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 ZINC000659778631 412124813 /nfs/dbraw/zinc/12/48/13/412124813.db2.gz OYVQNQJABHOPSW-IAQYHMDHSA-N -1 0 319.317 -0.629 20 0 DBADRM CC(C)(C)n1nnc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659784010 412125384 /nfs/dbraw/zinc/12/53/84/412125384.db2.gz WXEJJSCQCUGUNP-AMIZOPFISA-N -1 0 309.326 -0.399 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000660556021 412142920 /nfs/dbraw/zinc/14/29/20/412142920.db2.gz DIMWFAJCWFNWJK-KXUCPTDWSA-N -1 0 316.383 -0.498 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N(CC(=O)[O-])CC2CC2)C1=O ZINC000315683867 412205589 /nfs/dbraw/zinc/20/55/89/412205589.db2.gz SFRUSCGSGZIJRB-UHFFFAOYSA-N -1 0 311.338 -0.016 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1ccc(C(=O)NCCO)nn1 ZINC000662892246 412208590 /nfs/dbraw/zinc/20/85/90/412208590.db2.gz CBLDPXWYLJWYQY-ZJUUUORDSA-N -1 0 308.338 -0.112 20 0 DBADRM NS(=O)(=O)c1cccnc1N[C@@H]1C[C@H](C(=O)[O-])C[C@@H]1O ZINC000662894621 412209657 /nfs/dbraw/zinc/20/96/57/412209657.db2.gz AXHFOYXYNWYLOO-RNJXMRFFSA-N -1 0 301.324 -0.635 20 0 DBADRM CN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662902434 412210029 /nfs/dbraw/zinc/21/00/29/412210029.db2.gz JBYRVASWANMJIL-MEBBXXQBSA-N -1 0 322.317 -0.202 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3COC[C@H]3C2)C1 ZINC000662913933 412210703 /nfs/dbraw/zinc/21/07/03/412210703.db2.gz NWIYMKAEDSFMFR-GRYCIOLGSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@@H]1C ZINC000662908757 412210742 /nfs/dbraw/zinc/21/07/42/412210742.db2.gz WXZVJFNMCKLHLH-UYUMYWFVSA-N -1 0 310.350 -0.197 20 0 DBADRM COc1ccc(CN(C)C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000662910914 412211131 /nfs/dbraw/zinc/21/11/31/412211131.db2.gz ASYTYFUMJVUAKM-LLVKDONJSA-N -1 0 321.333 -0.018 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](Cn3ccnn3)C2)C1 ZINC000662913055 412211256 /nfs/dbraw/zinc/21/12/56/412211256.db2.gz JMXCOPVZJMBBMO-GHMZBOCLSA-N -1 0 321.337 -0.940 20 0 DBADRM C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000662914049 412211331 /nfs/dbraw/zinc/21/13/31/412211331.db2.gz WKEGVIQHBQJHMC-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)Cc2cn(C)nn2)C[C@@H]1C(=O)[O-] ZINC000662911069 412211560 /nfs/dbraw/zinc/21/15/60/412211560.db2.gz RBYOKTOWBXWMDT-ONGXEEELSA-N -1 0 323.353 -0.657 20 0 DBADRM CO[C@@H](C)CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662914746 412211912 /nfs/dbraw/zinc/21/19/12/412211912.db2.gz DTBFLCCGQLJOPS-IMSIIYSGSA-N -1 0 314.338 -0.961 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)NC1CC1)N(C)Cc1n[n-]c(=O)o1 ZINC000660850820 412148954 /nfs/dbraw/zinc/14/89/54/412148954.db2.gz YPXKDRNDGIVPRG-MRVPVSSYSA-N -1 0 311.342 -0.668 20 0 DBADRM NS(=O)(=O)c1cc2c(s1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC000662221582 412170765 /nfs/dbraw/zinc/17/07/65/412170765.db2.gz IZDGJYANXZUGKC-UHFFFAOYSA-N -1 0 315.380 -0.223 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2C[C@H](CO)Oc3ccccc32)C1=O ZINC000662207040 412170805 /nfs/dbraw/zinc/17/08/05/412170805.db2.gz UPSLKUOEOKTEQT-ZYHUDNBSSA-N -1 0 306.318 -0.068 20 0 DBADRM CC(C)(C)n1nnc(CCN2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC000662214002 412171597 /nfs/dbraw/zinc/17/15/97/412171597.db2.gz INUSOGLZWYVMSQ-UHFFFAOYSA-N -1 0 310.358 -0.801 20 0 DBADRM O=C([O-])[C@H]1COCCN1CCN1C(=O)NC2(CCCC2)C1=O ZINC000662207729 412172125 /nfs/dbraw/zinc/17/21/25/412172125.db2.gz MFVLOMCNYMFGGV-SNVBAGLBSA-N -1 0 311.338 -0.364 20 0 DBADRM O=C([O-])[C@@H]1c2ccccc2CCN1CC(=O)N1CCNC(=O)C1 ZINC000662236286 412173593 /nfs/dbraw/zinc/17/35/93/412173593.db2.gz VKOASDYLFFFWFR-HNNXBMFYSA-N -1 0 317.345 -0.371 20 0 DBADRM CCN(C)C(=O)CNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000219869443 412256048 /nfs/dbraw/zinc/25/60/48/412256048.db2.gz CIFPVDINKFDAQR-UHFFFAOYSA-N -1 0 301.343 -0.355 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)c2ccc(O)cc2)n1 ZINC000436959183 412273745 /nfs/dbraw/zinc/27/37/45/412273745.db2.gz BVNNXIPISSNKRM-UHFFFAOYSA-N -1 0 316.317 0.498 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC000590439857 412277345 /nfs/dbraw/zinc/27/73/45/412277345.db2.gz XJFOPYFJKAEPOQ-UHFFFAOYSA-N -1 0 317.305 0.317 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)c2ccc3n[nH]nc3c2)n1 ZINC000337624897 412277942 /nfs/dbraw/zinc/27/79/42/412277942.db2.gz CXTMFENMAKNNAT-UHFFFAOYSA-N -1 0 313.321 0.495 20 0 DBADRM CCCC[C@@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663027214 412223846 /nfs/dbraw/zinc/22/38/46/412223846.db2.gz QYGRRLPNKPINGP-VHSXEESVSA-N -1 0 321.399 -0.339 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC1CCN(c2nccn2C)CC1 ZINC000663050809 412223853 /nfs/dbraw/zinc/22/38/53/412223853.db2.gz BJIDTJZODACDFQ-AWEZNQCLSA-N -1 0 310.354 -0.005 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000663033681 412223882 /nfs/dbraw/zinc/22/38/82/412223882.db2.gz CYZPFVSLHVCITB-LDWIPMOCSA-N -1 0 312.244 -0.245 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCC(=O)NCc1ccccn1 ZINC000663050881 412223967 /nfs/dbraw/zinc/22/39/67/412223967.db2.gz VXJXPXZFZNJCDW-CQSZACIVSA-N -1 0 309.322 -0.306 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])C1 ZINC000663047857 412224069 /nfs/dbraw/zinc/22/40/69/412224069.db2.gz FYLPWXRXWAZYIX-LDYMZIIASA-N -1 0 308.356 -0.984 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCC(=O)NCc1ccccn1 ZINC000663050879 412224136 /nfs/dbraw/zinc/22/41/36/412224136.db2.gz VXJXPXZFZNJCDW-AWEZNQCLSA-N -1 0 309.322 -0.306 20 0 DBADRM Cc1sc(=O)n(CC(=O)N2CCOC[C@H]2C(=O)[O-])c1C ZINC000663028612 412224228 /nfs/dbraw/zinc/22/42/28/412224228.db2.gz ZJVDCRDZTKZQCL-VIFPVBQESA-N -1 0 300.336 -0.161 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC000663029859 412224232 /nfs/dbraw/zinc/22/42/32/412224232.db2.gz CVGIRQFPRCREFT-NSHDSACASA-N -1 0 318.395 -0.019 20 0 DBADRM CCCC[C@@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663027210 412224406 /nfs/dbraw/zinc/22/44/06/412224406.db2.gz QYGRRLPNKPINGP-NXEZZACHSA-N -1 0 321.399 -0.339 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000663048025 412224469 /nfs/dbraw/zinc/22/44/69/412224469.db2.gz JQAPHIBLZYHMCE-RWEMILLDSA-N -1 0 302.327 -0.772 20 0 DBADRM CCCC[C@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663027212 412224534 /nfs/dbraw/zinc/22/45/34/412224534.db2.gz QYGRRLPNKPINGP-UWVGGRQHSA-N -1 0 321.399 -0.339 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000663074396 412225045 /nfs/dbraw/zinc/22/50/45/412225045.db2.gz CYZPFKMCVAAUMY-YGRLFVJLSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000663067317 412225428 /nfs/dbraw/zinc/22/54/28/412225428.db2.gz OOGQAUHSDHKILE-LBPRGKRZSA-N -1 0 316.335 -0.560 20 0 DBADRM CCCn1nccc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000663058180 412225618 /nfs/dbraw/zinc/22/56/18/412225618.db2.gz WKHUSHBATXEOMR-SNVBAGLBSA-N -1 0 315.351 -0.383 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663098489 412226176 /nfs/dbraw/zinc/22/61/76/412226176.db2.gz LCDWMKGTQPPGGG-NXEZZACHSA-N -1 0 304.368 -0.363 20 0 DBADRM CCN(C(=O)c1ccnc(S(N)(=O)=O)c1)[C@H](C)C(=O)[O-] ZINC000663123374 412226232 /nfs/dbraw/zinc/22/62/32/412226232.db2.gz CBSDQHKKTVXFAG-SSDOTTSWSA-N -1 0 301.324 -0.336 20 0 DBADRM CCN(C(=O)CCn1cc(S(N)(=O)=O)cn1)[C@H](C)C(=O)[O-] ZINC000663122838 412226336 /nfs/dbraw/zinc/22/63/36/412226336.db2.gz BONZLFMBBFQOMQ-MRVPVSSYSA-N -1 0 318.355 -0.758 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N(CC(=O)[O-])C2CCC2)C1 ZINC000663120889 412226340 /nfs/dbraw/zinc/22/63/40/412226340.db2.gz BASYFNBWYKTQTK-VIFPVBQESA-N -1 0 319.383 -0.632 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C1CC1 ZINC000663084710 412226385 /nfs/dbraw/zinc/22/63/85/412226385.db2.gz ZAEORVXYHGTUQL-NSHDSACASA-N -1 0 323.349 -0.953 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C1(C(=O)[O-])CC=CC1 ZINC000663098647 412226511 /nfs/dbraw/zinc/22/65/11/412226511.db2.gz MRLIJIITTHPJMJ-SNVBAGLBSA-N -1 0 316.379 -0.052 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)[C@H](C(=O)[O-])C3CC3)CCN2C1=O ZINC000663090126 412226526 /nfs/dbraw/zinc/22/65/26/412226526.db2.gz RABCFIOZSGNMRQ-NXEZZACHSA-N -1 0 309.322 -0.408 20 0 DBADRM CN(C1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1)S(C)(=O)=O ZINC000663096352 412226657 /nfs/dbraw/zinc/22/66/57/412226657.db2.gz LKUHWIBLVQYOOB-LLVKDONJSA-N -1 0 318.395 -0.020 20 0 DBADRM Cn1ccnc(N2CCN(C(=O)[C@@H](C(=O)[O-])C3CC3)CC2)c1=O ZINC000663101837 412226870 /nfs/dbraw/zinc/22/68/70/412226870.db2.gz LQEKPXXVFGZDLY-NSHDSACASA-N -1 0 320.349 -0.460 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000663096308 412226899 /nfs/dbraw/zinc/22/68/99/412226899.db2.gz KLJIKDCDRXVUOA-SBMIAAHKSA-N -1 0 307.368 -0.052 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC000663081161 412226908 /nfs/dbraw/zinc/22/69/08/412226908.db2.gz UJZQJBMZSKLVHF-JTQLQIEISA-N -1 0 319.383 -0.952 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@](C)(OC)C(=O)[O-] ZINC000663098262 412226921 /nfs/dbraw/zinc/22/69/21/412226921.db2.gz INSKLJDWSLNJFH-KWQFWETISA-N -1 0 308.356 -0.984 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C1(C(=O)[O-])CCC1 ZINC000663099793 412226993 /nfs/dbraw/zinc/22/69/93/412226993.db2.gz XHDLGHJTPCVOIG-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NC1(CC(=O)[O-])CCCCC1)C(N)=O ZINC000663123735 412226995 /nfs/dbraw/zinc/22/69/95/412226995.db2.gz QUCLCSGXCZCEGN-JTQLQIEISA-N -1 0 313.354 -0.340 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2cncc(-n3ccnn3)c2)CCOC1 ZINC000663132614 412227272 /nfs/dbraw/zinc/22/72/72/412227272.db2.gz MBYCDLIMGNVMRI-CYBMUJFWSA-N -1 0 303.278 -0.364 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)C(N)=O ZINC000663142034 412227284 /nfs/dbraw/zinc/22/72/84/412227284.db2.gz UXFAUCGADCXESL-NHYWBVRUSA-N -1 0 321.333 -0.517 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N[C@@]1(C(=O)[O-])CCOC1)n1cccn1 ZINC000663131403 412227288 /nfs/dbraw/zinc/22/72/88/412227288.db2.gz QZCVNSPLFQRSFR-HZMBPMFUSA-N -1 0 324.337 -0.738 20 0 DBADRM CNS(=O)(=O)CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000663134338 412227361 /nfs/dbraw/zinc/22/73/61/412227361.db2.gz IKCCSBDROLIRFS-LLVKDONJSA-N -1 0 312.347 -0.254 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000663127562 412227370 /nfs/dbraw/zinc/22/73/70/412227370.db2.gz NZBQXVIGTAXVHM-VHSXEESVSA-N -1 0 314.319 -0.678 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N[C@@]1(C(=O)[O-])CCOC1)n1cccn1 ZINC000663131408 412227403 /nfs/dbraw/zinc/22/74/03/412227403.db2.gz QZCVNSPLFQRSFR-YGRLFVJLSA-N -1 0 324.337 -0.738 20 0 DBADRM CNS(=O)(=O)CC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000663140046 412227535 /nfs/dbraw/zinc/22/75/35/412227535.db2.gz HIHPDLOLGOYJGD-UHFFFAOYSA-N -1 0 304.328 -0.810 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000663132358 412227542 /nfs/dbraw/zinc/22/75/42/412227542.db2.gz YLJSBKMDEBZWQC-IMSIIYSGSA-N -1 0 311.338 -0.663 20 0 DBADRM CNC(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)cn1 ZINC000663143337 412227579 /nfs/dbraw/zinc/22/75/79/412227579.db2.gz TWHGCPWRMNQLQK-UHFFFAOYSA-N -1 0 307.306 -0.195 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N(CC(=O)[O-])CC(C)(C)C)C1=O ZINC000663136770 412227716 /nfs/dbraw/zinc/22/77/16/412227716.db2.gz INYOMSBKXQTTOT-UHFFFAOYSA-N -1 0 313.310 -0.634 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000663127858 412227865 /nfs/dbraw/zinc/22/78/65/412227865.db2.gz UKYBXHLLMXVSSA-BREBYQMCSA-N -1 0 317.363 -0.274 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)NC1(C(=O)[O-])CCOCC1 ZINC000663143834 412228057 /nfs/dbraw/zinc/22/80/57/412228057.db2.gz LEBBZCJPHQKKNY-UHFFFAOYSA-N -1 0 321.333 -0.053 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C3(C(=O)[O-])CCC3)C[C@H]21 ZINC000663135523 412228086 /nfs/dbraw/zinc/22/80/86/412228086.db2.gz RDRIPULJANGJMP-AEJSXWLSSA-N -1 0 317.363 -0.488 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@@H]1CCCN1C(=O)C1CC1)C2 ZINC000663129018 412228108 /nfs/dbraw/zinc/22/81/08/412228108.db2.gz GUEHORYIEPLMEA-BFQNTYOBSA-N -1 0 322.361 -0.053 20 0 DBADRM O=C([O-])CN1CC[C@H](n2c(=O)onc2-c2cccnc2)C1=O ZINC000663220649 412228629 /nfs/dbraw/zinc/22/86/29/412228629.db2.gz SXQKXBBHCALYKQ-VIFPVBQESA-N -1 0 304.262 -0.244 20 0 DBADRM CC[C@]1(C2CC2)NC(=O)N([C@H]2CCN(CC(=O)[O-])C2=O)C1=O ZINC000663218888 412228695 /nfs/dbraw/zinc/22/86/95/412228695.db2.gz DNEZCIPOGNBUSS-LKFCYVNXSA-N -1 0 309.322 -0.218 20 0 DBADRM O=C([O-])CN1CC[C@@H](n2c(=O)onc2-c2ccncc2)C1=O ZINC000663220449 412229018 /nfs/dbraw/zinc/22/90/18/412229018.db2.gz RLVMNPDPKFSGHY-SECBINFHSA-N -1 0 304.262 -0.244 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCC1 ZINC000663218068 412229119 /nfs/dbraw/zinc/22/91/19/412229119.db2.gz YKJSXMUQGUPRSN-UWVGGRQHSA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)Cn2nc3n(c2=O)CCCC3)n1 ZINC000663145714 412229327 /nfs/dbraw/zinc/22/93/27/412229327.db2.gz YPQLGNKUDDOXGN-UHFFFAOYSA-N -1 0 320.309 -0.699 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663153905 412229380 /nfs/dbraw/zinc/22/93/80/412229380.db2.gz PLTHTJMEZZLDGL-NSHDSACASA-N -1 0 322.365 -0.002 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)NCC2(C(=O)[O-])CC2)cn1 ZINC000663345982 412230277 /nfs/dbraw/zinc/23/02/77/412230277.db2.gz FAAOEKOAOLKDIH-UHFFFAOYSA-N -1 0 309.326 -0.042 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CC2(CCOCC2)[C@@H]1C(=O)[O-] ZINC000663288550 412230564 /nfs/dbraw/zinc/23/05/64/412230564.db2.gz OGCGOIRYPDETNJ-UWVGGRQHSA-N -1 0 307.368 -0.083 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC000663286228 412231004 /nfs/dbraw/zinc/23/10/04/412231004.db2.gz PTFMCJUKMCPWIL-QMMMGPOBSA-N -1 0 307.299 -0.052 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000663286694 412231041 /nfs/dbraw/zinc/23/10/41/412231041.db2.gz UBCYEAIRAPCBSV-SSDOTTSWSA-N -1 0 320.298 -0.559 20 0 DBADRM CN(C1CC1)S(=O)(=O)N1CC2(CCOCC2)[C@@H]1C(=O)[O-] ZINC000663291077 412231245 /nfs/dbraw/zinc/23/12/45/412231245.db2.gz YHIUMPMQMPIOKZ-JTQLQIEISA-N -1 0 304.368 -0.109 20 0 DBADRM CCN1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000663635159 412236474 /nfs/dbraw/zinc/23/64/74/412236474.db2.gz RJTNRNJLXSKSDQ-LBPRGKRZSA-N -1 0 311.382 -0.232 20 0 DBADRM CC1(O)CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000663628950 412236780 /nfs/dbraw/zinc/23/67/80/412236780.db2.gz FWXIGOKNGJAZCS-LLVKDONJSA-N -1 0 312.366 -0.023 20 0 DBADRM CN(CC(C)(C)O)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663634465 412236938 /nfs/dbraw/zinc/23/69/38/412236938.db2.gz VVIJMYLWPVGRPN-JTQLQIEISA-N -1 0 300.355 -0.167 20 0 DBADRM Cc1noc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)n1 ZINC000663620406 412236942 /nfs/dbraw/zinc/23/69/42/412236942.db2.gz OXDRVVAWZQJNLR-VIFPVBQESA-N -1 0 310.310 -0.389 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(=O)[O-])C[C@](C)(C(F)F)O1 ZINC000663627012 412236945 /nfs/dbraw/zinc/23/69/45/412236945.db2.gz DUARXUNSSUGQJG-JMCQJSRRSA-N -1 0 308.281 -0.152 20 0 DBADRM CN(CCn1cccn1)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663632270 412236953 /nfs/dbraw/zinc/23/69/53/412236953.db2.gz GGZVCZFJNPKNOD-GFCCVEGCSA-N -1 0 322.365 -0.041 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)NCCn1cccn1)C1CCC1 ZINC000663619806 412236989 /nfs/dbraw/zinc/23/69/89/412236989.db2.gz KCPPHBTVEUUVBT-LLVKDONJSA-N -1 0 308.338 -0.384 20 0 DBADRM CC(C)(O)C1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663633184 412237016 /nfs/dbraw/zinc/23/70/16/412237016.db2.gz FRUTWMIBASRMSX-LLVKDONJSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663637846 412237748 /nfs/dbraw/zinc/23/77/48/412237748.db2.gz JJYDOAWCUWYQEA-DLOVCJGASA-N -1 0 312.366 -0.167 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCC[C@@H]1CCO)C1CCC1 ZINC000663639941 412238010 /nfs/dbraw/zinc/23/80/10/412238010.db2.gz ZCDGJVFBQAVHDW-VXGBXAGGSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CCO)C1CCC1 ZINC000663639939 412238029 /nfs/dbraw/zinc/23/80/29/412238029.db2.gz ZCDGJVFBQAVHDW-RYUDHWBXSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)NC[C@H](O)Cn1ccnn1)C1CCC1 ZINC000665318497 412308343 /nfs/dbraw/zinc/30/83/43/412308343.db2.gz YKDGVHHNILZRFW-QWRGUYRKSA-N -1 0 311.342 -0.561 20 0 DBADRM O=C([O-])[C@H](CNC(=O)N1CCN2C(=O)NC[C@@H]2C1)C1CCC1 ZINC000665323964 412308345 /nfs/dbraw/zinc/30/83/45/412308345.db2.gz JKTIRXJXXBNREJ-GHMZBOCLSA-N -1 0 310.354 -0.094 20 0 DBADRM NC(=O)COc1ccccc1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000362607232 412326484 /nfs/dbraw/zinc/32/64/84/412326484.db2.gz UFGAMIPTYRYBHP-UHFFFAOYSA-N -1 0 318.289 0.084 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)[N-]c2nc3ncccn3n2)c1 ZINC000355784819 412333914 /nfs/dbraw/zinc/33/39/14/412333914.db2.gz KPQMQYGPJCDRAP-UHFFFAOYSA-N -1 0 318.318 0.024 20 0 DBADRM CNc1nc(C)cc(C(=O)N(CC(=O)[O-])C2CCOCC2)n1 ZINC000579109719 412346227 /nfs/dbraw/zinc/34/62/27/412346227.db2.gz XAZDCVKEMNFTIM-UHFFFAOYSA-N -1 0 308.338 0.533 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)nn1C ZINC000581666794 412363716 /nfs/dbraw/zinc/36/37/16/412363716.db2.gz AUXWCPALSWFUKO-WCBMZHEXSA-N -1 0 308.338 0.236 20 0 DBADRM C[C@@](O)(CNc1ccc2nnc(C(F)(F)F)n2n1)C(=O)[O-] ZINC000573922638 412293492 /nfs/dbraw/zinc/29/34/92/412293492.db2.gz ADTIWPJJSXGZEN-SECBINFHSA-N -1 0 305.216 0.391 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)Nc2nnn[n-]2)=NO1 ZINC000495458704 412300151 /nfs/dbraw/zinc/30/01/51/412300151.db2.gz MHBBVWCFEQASTM-ZCFIWIBFSA-N -1 0 311.302 -0.192 20 0 DBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2cn(C)nc2C)cn1 ZINC000342468439 412384535 /nfs/dbraw/zinc/38/45/35/412384535.db2.gz ZJNGBKDJQISKOR-UHFFFAOYSA-N -1 0 311.323 0.106 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)n1 ZINC000362600913 412417493 /nfs/dbraw/zinc/41/74/93/412417493.db2.gz HNZGZZAHUQJZFL-UHFFFAOYSA-N -1 0 316.273 0.551 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)CCNC(=O)c2ccco2)n1 ZINC000362604818 412417833 /nfs/dbraw/zinc/41/78/33/412417833.db2.gz XFSJAUOBDLMEET-UHFFFAOYSA-N -1 0 306.278 0.319 20 0 DBADRM CCOC(=O)Cn1[n-]c(C)c(C(=O)Nc2cc(C)on2)c1=O ZINC000596009282 412419166 /nfs/dbraw/zinc/41/91/66/412419166.db2.gz NEBVKBUVUQESNO-NSHDSACASA-N -1 0 308.294 0.319 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)Nc2ccn(CCO)n2)s[n-]1 ZINC000564369412 412421052 /nfs/dbraw/zinc/42/10/52/412421052.db2.gz JYVHKOMXWWQPCG-SSDOTTSWSA-N -1 0 312.355 0.500 20 0 DBADRM CS(=O)(=O)N1CCC(Nc2ccc(C(=O)[O-])nn2)CC1 ZINC000400191165 412458754 /nfs/dbraw/zinc/45/87/54/412458754.db2.gz WJPFUSLIKMTZNF-UHFFFAOYSA-N -1 0 300.340 0.011 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC000573123460 412459943 /nfs/dbraw/zinc/45/99/43/412459943.db2.gz HKWXAFDSIKCSBO-PSASIEDQSA-N -1 0 314.367 0.305 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000362603896 412467928 /nfs/dbraw/zinc/46/79/28/412467928.db2.gz PLSKXYFJTROBJI-MRVPVSSYSA-N -1 0 306.278 0.318 20 0 DBADRM CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)N(C)CCC(=O)OC ZINC000367882512 287344111 /nfs/dbraw/zinc/34/41/11/287344111.db2.gz DFAACZXYFHGLEY-VHSXEESVSA-N -1 0 322.383 -0.089 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@]2(CCOC2)O1 ZINC000408326448 296933103 /nfs/dbraw/zinc/93/31/03/296933103.db2.gz MHFWQNSJAKISFX-YMTOWFKASA-N -1 0 309.322 -0.494 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000558591992 418942099 /nfs/dbraw/zinc/94/20/99/418942099.db2.gz JXSNNAJVBNKCEN-LURJTMIESA-N -1 0 308.278 -0.195 20 0 DBADRM CN(CC(F)(F)F)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000558580915 418942370 /nfs/dbraw/zinc/94/23/70/418942370.db2.gz XNPLYUWFQKFSNR-LURJTMIESA-N -1 0 318.273 -0.216 20 0 DBADRM COc1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])cn1 ZINC000650414143 418942676 /nfs/dbraw/zinc/94/26/76/418942676.db2.gz HTBDTRPBMZQFPO-UHFFFAOYSA-N -1 0 304.324 -0.452 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000650428235 418943513 /nfs/dbraw/zinc/94/35/13/418943513.db2.gz GXTOIVHCPBYMQV-SNVBAGLBSA-N -1 0 314.367 -0.352 20 0 DBADRM COCCCS(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650428382 418943533 /nfs/dbraw/zinc/94/35/33/418943533.db2.gz KHOIMBZZQLHIKT-VIFPVBQESA-N -1 0 303.340 -0.572 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c1 ZINC000650446160 418947141 /nfs/dbraw/zinc/94/71/41/418947141.db2.gz MCTLSAHUOWGKIE-RKDXNWHRSA-N -1 0 315.351 -0.165 20 0 DBADRM COc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cn1 ZINC000650446055 418947161 /nfs/dbraw/zinc/94/71/61/418947161.db2.gz HMTWPRAUUUGSKA-PSASIEDQSA-N -1 0 316.335 -0.047 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000666267640 418979956 /nfs/dbraw/zinc/97/99/56/418979956.db2.gz JRVUKNYYJYVYDQ-UHFFFAOYSA-N -1 0 314.323 -0.403 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000666366534 418981018 /nfs/dbraw/zinc/98/10/18/418981018.db2.gz AKJUBHWFMYXVOR-AEJSXWLSSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1=O ZINC000666534619 418983933 /nfs/dbraw/zinc/98/39/33/418983933.db2.gz MDKLBUALMRSRCY-CHWFTXMASA-N -1 0 311.338 -0.509 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)[C@@H]1OC ZINC000666542881 418983952 /nfs/dbraw/zinc/98/39/52/418983952.db2.gz CNQPHLCEYVOVHM-VLEAKVRGSA-N -1 0 302.327 -0.326 20 0 DBADRM CC(C)(CC(=O)[O-])CC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000061826895 544418138 /nfs/dbraw/zinc/41/81/38/544418138.db2.gz ZRQSCYMJLCXHFE-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM CC[C@@H](CNS(=O)(=O)c1cc(C(=O)NC)n(C)c1)C(=O)[O-] ZINC000087497955 544419646 /nfs/dbraw/zinc/41/96/46/544419646.db2.gz UMFBTBXJAVNICC-QMMMGPOBSA-N -1 0 317.367 -0.226 20 0 DBADRM C[C@]1(C(F)F)CN(C(=O)Cn2cc(C(=O)[O-])nn2)CCO1 ZINC000668297093 544424604 /nfs/dbraw/zinc/42/46/04/544424604.db2.gz HPDMPVQPNKURSY-LLVKDONJSA-N -1 0 304.253 -0.141 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1nc2ncccn2n1)C1CCOCC1 ZINC000668305072 544424948 /nfs/dbraw/zinc/42/49/48/544424948.db2.gz DNDLSHZRIVPIRO-VIFPVBQESA-N -1 0 305.294 -0.266 20 0 DBADRM O=C(CCNS(=O)(=O)c1ccccc1[O-])N1CCOCC1 ZINC000124743852 544464621 /nfs/dbraw/zinc/46/46/21/544464621.db2.gz QYTGTYSCWHVORY-UHFFFAOYSA-N -1 0 314.363 -0.081 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000230911654 544471521 /nfs/dbraw/zinc/47/15/21/544471521.db2.gz IJWZODZGIGAQHW-UTLUCORTSA-N -1 0 304.368 -0.220 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(C(=O)NC2CC2)cc1 ZINC000126445902 544473170 /nfs/dbraw/zinc/47/31/70/544473170.db2.gz UMAUVLJPYVBJEY-UHFFFAOYSA-N -1 0 301.306 -0.080 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)C1 ZINC000400172344 544487978 /nfs/dbraw/zinc/48/79/78/544487978.db2.gz NOHRFYKWBFLRNR-IVZWLZJFSA-N -1 0 320.367 -0.841 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000400196908 544488047 /nfs/dbraw/zinc/48/80/47/544488047.db2.gz PMVMOBVPPMEQGD-JTQLQIEISA-N -1 0 319.383 -0.331 20 0 DBADRM CCN(CCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)S(C)(=O)=O ZINC000222602704 544491139 /nfs/dbraw/zinc/49/11/39/544491139.db2.gz VTVIPJDFNVQLOQ-ZJUUUORDSA-N -1 0 322.383 -0.594 20 0 DBADRM CCn1ccc(CC(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])n1 ZINC000653290518 544502626 /nfs/dbraw/zinc/50/26/26/544502626.db2.gz YNWKQAPHPCTWIV-SECBINFHSA-N -1 0 320.309 -0.762 20 0 DBADRM COC[C@]1(C(=O)OC)CCCN1C(=O)CSCC(=O)[O-] ZINC000595996847 544519526 /nfs/dbraw/zinc/51/95/26/544519526.db2.gz GJJQMYJPIFPUSW-LBPRGKRZSA-N -1 0 305.352 -0.015 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)N2CCS(=O)(=O)CC2)o1 ZINC000094555817 544526669 /nfs/dbraw/zinc/52/66/69/544526669.db2.gz APGYQTCEKDWUER-UHFFFAOYSA-N -1 0 302.308 -0.082 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)c1ccc(C(=O)[O-])nc1 ZINC000220640400 544554053 /nfs/dbraw/zinc/55/40/53/544554053.db2.gz SFKQQUNKWKMYHU-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM O=C([O-])[C@@H]1CCCN1C(=O)NCCCN1CCCS1(=O)=O ZINC000679556970 544558066 /nfs/dbraw/zinc/55/80/66/544558066.db2.gz BIALATVGCIQXTQ-JTQLQIEISA-N -1 0 319.383 -0.329 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@H]1CCCC[C@H]1O ZINC000085977295 544577448 /nfs/dbraw/zinc/57/74/48/544577448.db2.gz YKARORVDGVEUDI-VXNVDRBHSA-N -1 0 303.340 -0.063 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN([C@H]2CCOC2)CC1 ZINC000672992562 544607272 /nfs/dbraw/zinc/60/72/72/544607272.db2.gz PMUQZVSMAOBTJK-VIFPVBQESA-N -1 0 313.383 -0.465 20 0 DBADRM CC(C)[C@H](CNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400304323 544636355 /nfs/dbraw/zinc/63/63/55/544636355.db2.gz QWVHTVHTJMPVGO-UWVGGRQHSA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)[C@@H](CNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400304321 544636233 /nfs/dbraw/zinc/63/62/33/544636233.db2.gz QWVHTVHTJMPVGO-NXEZZACHSA-N -1 0 321.399 -0.324 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000049606592 544621301 /nfs/dbraw/zinc/62/13/01/544621301.db2.gz WQXOOIXZVJVTKV-JTQLQIEISA-N -1 0 322.383 -0.640 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccccc2[O-])C1 ZINC000400134296 544635975 /nfs/dbraw/zinc/63/59/75/544635975.db2.gz SIKCKCLBSHGJHD-VIFPVBQESA-N -1 0 320.392 -0.296 20 0 DBADRM CC(C)[C@@H](CNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400304325 544636055 /nfs/dbraw/zinc/63/60/55/544636055.db2.gz QWVHTVHTJMPVGO-VHSXEESVSA-N -1 0 321.399 -0.324 20 0 DBADRM CCn1cc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)nn1 ZINC000404461384 544646586 /nfs/dbraw/zinc/64/65/86/544646586.db2.gz JRVRGOFYZWPXOL-UHFFFAOYSA-N -1 0 317.371 -0.571 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000262151958 544653671 /nfs/dbraw/zinc/65/36/71/544653671.db2.gz LTIFWXISJWJZOW-NXEZZACHSA-N -1 0 322.383 -0.642 20 0 DBADRM Cc1cc(=NC(=O)N(CCO)CCN2CCOCC2)[n-]nc1C ZINC000347810248 544658615 /nfs/dbraw/zinc/65/86/15/544658615.db2.gz RWBGTJYJFJHKOT-UHFFFAOYSA-N -1 0 323.397 -0.326 20 0 DBADRM CN(C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1)S(C)(=O)=O ZINC000262629947 544661797 /nfs/dbraw/zinc/66/17/97/544661797.db2.gz OCWJQWYFYZBAMT-NXEZZACHSA-N -1 0 304.368 -0.411 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1 ZINC000682521757 544643386 /nfs/dbraw/zinc/64/33/86/544643386.db2.gz BGKFSUHJZKPRCM-UWVGGRQHSA-N -1 0 322.383 -0.594 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC000681586347 544694690 /nfs/dbraw/zinc/69/46/90/544694690.db2.gz LOQZYNKNFQWHEP-SECBINFHSA-N -1 0 315.351 -0.164 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N(C)C1CC1 ZINC000681589535 544695856 /nfs/dbraw/zinc/69/58/56/544695856.db2.gz AGMDMIBHFPJWOB-MRVPVSSYSA-N -1 0 307.372 -0.763 20 0 DBADRM CN1C[C@H](NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1=O ZINC000667835626 544750109 /nfs/dbraw/zinc/75/01/09/544750109.db2.gz VQPCFLQIGFINBL-SNVBAGLBSA-N -1 0 302.290 -0.010 20 0 DBADRM CO[C@@]1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCOC1 ZINC000317654885 544739279 /nfs/dbraw/zinc/73/92/79/544739279.db2.gz SNBZKQFWKNPGEY-CQSZACIVSA-N -1 0 316.354 -0.028 20 0 DBADRM C[C@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)C[C@H](CO)O1 ZINC000318602622 544743106 /nfs/dbraw/zinc/74/31/06/544743106.db2.gz ZVSZNGRKNOUFTL-WDEREUQCSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCCCN1 ZINC000673475325 544801600 /nfs/dbraw/zinc/80/16/00/544801600.db2.gz IWSGAIRMULDWRW-UHFFFAOYSA-N -1 0 317.143 -0.162 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)C1 ZINC000674744040 544835432 /nfs/dbraw/zinc/83/54/32/544835432.db2.gz ZUFAEXPTYATZBR-VXGBXAGGSA-N -1 0 302.338 -0.264 20 0 DBADRM C[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000673949821 544816929 /nfs/dbraw/zinc/81/69/29/544816929.db2.gz XMAWAUBNCFFJEP-VGMNWLOBSA-N -1 0 321.337 -0.310 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)C(=O)c2ccc(O)cc2)C1 ZINC000673154500 544796905 /nfs/dbraw/zinc/79/69/05/544796905.db2.gz FFOISFSBVRTPHF-UHFFFAOYSA-N -1 0 312.347 -0.229 20 0 DBADRM CN(C)C(=O)c1cc(NC(=O)NCc2n[nH]c(=O)[n-]2)ccn1 ZINC000674766101 544837865 /nfs/dbraw/zinc/83/78/65/544837865.db2.gz JJGJIQITLDLKIX-UHFFFAOYSA-N -1 0 305.298 -0.071 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)Nc1cnn(-c2ncccn2)c1 ZINC000675569309 544850363 /nfs/dbraw/zinc/85/03/63/544850363.db2.gz OKFJCCMFHASHHB-UHFFFAOYSA-N -1 0 301.270 -0.192 20 0 DBADRM CN(CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)S(C)(=O)=O ZINC000675977287 544856195 /nfs/dbraw/zinc/85/61/95/544856195.db2.gz CBGIYXNNNBPILK-CYBMUJFWSA-N -1 0 314.363 -0.006 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N(CC(=O)[O-])CC1CC1 ZINC000675974210 544856323 /nfs/dbraw/zinc/85/63/23/544856323.db2.gz ZBYFJSMTCIDAFE-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000675981580 544856352 /nfs/dbraw/zinc/85/63/52/544856352.db2.gz NMNPGCAHTUIWTH-OAHLLOKOSA-N -1 0 321.333 -0.645 20 0 DBADRM CC(C)CCOCCNC(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000676230797 544861127 /nfs/dbraw/zinc/86/11/27/544861127.db2.gz CLSGKRSXSXHZHX-GFCCVEGCSA-N -1 0 302.371 -0.049 20 0 DBADRM Cc1csc(=O)n1CCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000676214474 544859603 /nfs/dbraw/zinc/85/96/03/544859603.db2.gz SGEYOVPHRJYUOJ-SECBINFHSA-N -1 0 300.336 -0.080 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)C1(S(C)(=O)=O)CCCC1 ZINC000676208530 544859749 /nfs/dbraw/zinc/85/97/49/544859749.db2.gz CDQOLUCOIUDIQJ-UHFFFAOYSA-N -1 0 307.368 -0.097 20 0 DBADRM Cc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c2c(=O)[nH]n(C)c2n1 ZINC000676216487 544859861 /nfs/dbraw/zinc/85/98/61/544859861.db2.gz UMHRTBGAICLFOB-SECBINFHSA-N -1 0 320.305 -0.092 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CCCN1C(=O)CCC1=O ZINC000676208035 544859913 /nfs/dbraw/zinc/85/99/13/544859913.db2.gz FZSRBZBZHIYTKH-UHFFFAOYSA-N -1 0 300.311 -0.525 20 0 DBADRM NS(=O)(=O)c1ccc(CCC(=O)NCCC(=O)[O-])cc1 ZINC000676211038 544859931 /nfs/dbraw/zinc/85/99/31/544859931.db2.gz TTYUMWDCOYARKX-UHFFFAOYSA-N -1 0 300.336 -0.143 20 0 DBADRM CCNC(=O)NC1(C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCC1 ZINC000676215537 544859944 /nfs/dbraw/zinc/85/99/44/544859944.db2.gz YJWZGRPLUQRTJU-SNVBAGLBSA-N -1 0 313.354 -0.070 20 0 DBADRM CCN1CCN(CC(=O)NC2(C(=O)[O-])CCCC2)C(=O)C1=O ZINC000676209863 544860079 /nfs/dbraw/zinc/86/00/79/544860079.db2.gz DALHQCWDZZJLAN-UHFFFAOYSA-N -1 0 311.338 -0.809 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccccc1-n1cnnn1 ZINC000676209163 544860150 /nfs/dbraw/zinc/86/01/50/544860150.db2.gz NWQJAFBDLQZUCX-UHFFFAOYSA-N -1 0 305.294 -0.165 20 0 DBADRM CCN(CCCNC(=O)c1[nH]nc(C)c1[O-])S(C)(=O)=O ZINC000676694379 544876453 /nfs/dbraw/zinc/87/64/53/544876453.db2.gz ZQVMFVSDAPUEKK-UHFFFAOYSA-N -1 0 304.372 -0.175 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1[O-] ZINC000676687823 544876481 /nfs/dbraw/zinc/87/64/81/544876481.db2.gz CCDQUZMAQYLVJA-SNVBAGLBSA-N -1 0 321.381 -0.151 20 0 DBADRM O=C(NC1CC1)C1(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)CC1 ZINC000677929319 544901954 /nfs/dbraw/zinc/90/19/54/544901954.db2.gz UAWFZYJAIHSXIO-SECBINFHSA-N -1 0 304.354 -0.036 20 0 DBADRM O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC000677949148 544902824 /nfs/dbraw/zinc/90/28/24/544902824.db2.gz QFAHBAJPJHHJPV-YFKPBYRVSA-N -1 0 307.232 -0.351 20 0 DBADRM O=C(NCCCN1CCCCCC1=O)c1n[nH]c(=O)[n-]c1=O ZINC000677948067 544902861 /nfs/dbraw/zinc/90/28/61/544902861.db2.gz HKRODXDOBJEGKM-UHFFFAOYSA-N -1 0 309.326 -0.195 20 0 DBADRM O=C(NCCOc1ccc2c(c1)OCO2)c1n[nH]c(=O)[n-]c1=O ZINC000677948509 544903108 /nfs/dbraw/zinc/90/31/08/544903108.db2.gz SNXHEMKXWTZVRS-UHFFFAOYSA-N -1 0 320.261 -0.180 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@]12CCCO2 ZINC000680601603 544952492 /nfs/dbraw/zinc/95/24/92/544952492.db2.gz AXCBLQCUVRQBMB-DAROEXNTSA-N -1 0 310.310 -0.261 20 0 DBADRM CCNS(=O)(=O)c1ccc(CC(=O)NCc2nnn[n-]2)cc1 ZINC000680581372 544952555 /nfs/dbraw/zinc/95/25/55/544952555.db2.gz WQUUPBSGEBTAKX-UHFFFAOYSA-N -1 0 324.366 -0.643 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000678799972 544921372 /nfs/dbraw/zinc/92/13/72/544921372.db2.gz CGGWOFPKNSMVHC-UHFFFAOYSA-N -1 0 320.284 -0.221 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2ccccc2C(=O)[O-])C1=O ZINC000680792114 544954532 /nfs/dbraw/zinc/95/45/32/544954532.db2.gz AFSDZMSBTRCFCZ-UHFFFAOYSA-N -1 0 305.246 -0.256 20 0 DBADRM CN(CCCNC(=O)N1CCC[C@@]1(C)C(=O)[O-])S(C)(=O)=O ZINC000679548008 544933319 /nfs/dbraw/zinc/93/33/19/544933319.db2.gz IQAXLNKWCAFDDT-LBPRGKRZSA-N -1 0 321.399 -0.083 20 0 DBADRM CC(C)(NC(=O)NCCCN1CCCS1(=O)=O)C(=O)[O-] ZINC000679557777 544933434 /nfs/dbraw/zinc/93/34/34/544933434.db2.gz ZERIYJMPWUGPFL-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM CN(CCCNC(=O)N[C@@](C)(C(=O)[O-])C1CC1)S(C)(=O)=O ZINC000679548431 544933496 /nfs/dbraw/zinc/93/34/96/544933496.db2.gz SGYZKNFXGKZSLL-GFCCVEGCSA-N -1 0 321.399 -0.180 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000679652621 544935757 /nfs/dbraw/zinc/93/57/57/544935757.db2.gz KEQPNKSYVIXIQE-UHFFFAOYSA-N -1 0 323.349 -0.856 20 0 DBADRM CC(=O)NCCN(C(=O)CCN1CCCC1=O)[C@@H](C)C(=O)[O-] ZINC000679654914 544935761 /nfs/dbraw/zinc/93/57/61/544935761.db2.gz LYASBTJVWSSAHK-JTQLQIEISA-N -1 0 313.354 -0.563 20 0 DBADRM COC[C@H](C)C(=O)N1CCO[C@@H](CN(CC(=O)[O-])C(C)=O)C1 ZINC000681943905 544988780 /nfs/dbraw/zinc/98/87/80/544988780.db2.gz PSNNDONSMMEWRW-CMPLNLGQSA-N -1 0 316.354 -0.571 20 0 DBADRM CCO[C@@H]1C[C@@](CO)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1(C)C ZINC000682027513 544991724 /nfs/dbraw/zinc/99/17/24/544991724.db2.gz OFAAJIAPPDLAKU-UHLUBPPHSA-N -1 0 312.326 -0.421 20 0 DBADRM NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000680837354 544956720 /nfs/dbraw/zinc/95/67/20/544956720.db2.gz KNIDQKQJNXLWOP-UHFFFAOYSA-N -1 0 316.730 -0.060 20 0 DBADRM Cn1[n-]nnc1=NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000680857610 544956906 /nfs/dbraw/zinc/95/69/06/544956906.db2.gz KYNSFBXDPDSYGU-UHFFFAOYSA-N -1 0 308.367 -0.216 20 0 DBADRM CCC[C@H](NC(=O)CNC(=O)c1ccncc1)c1nnn[n-]1 ZINC000681120251 544963694 /nfs/dbraw/zinc/96/36/94/544963694.db2.gz GGIAABXFXBFJMS-JTQLQIEISA-N -1 0 303.326 -0.018 20 0 DBADRM CCc1nn(C)c(CC)c1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC000681558916 544974550 /nfs/dbraw/zinc/97/45/50/544974550.db2.gz WBYALWLDMGMHBU-JTQLQIEISA-N -1 0 319.383 -0.341 20 0 DBADRM Cc1noc2ncc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc12 ZINC000681558252 544974562 /nfs/dbraw/zinc/97/45/62/544974562.db2.gz QBERODLJIRMEIK-VIFPVBQESA-N -1 0 315.307 -0.355 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000681586327 544975690 /nfs/dbraw/zinc/97/56/90/544975690.db2.gz KWIIVUIBAMHZQE-SECBINFHSA-N -1 0 303.340 -0.233 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cnc2onc(C)c2c1)C(=O)[O-] ZINC000681581135 544975694 /nfs/dbraw/zinc/97/56/94/544975694.db2.gz VNLFOQCTWNZDCD-SECBINFHSA-N -1 0 315.307 -0.091 20 0 DBADRM CC(C)(CNS(=O)(=O)CCCS(C)(=O)=O)CC(=O)[O-] ZINC000681577397 544975713 /nfs/dbraw/zinc/97/57/13/544975713.db2.gz SZKZRNNSVCBAFW-UHFFFAOYSA-N -1 0 315.413 -0.159 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cnc2onc(C)c2c1)C(=O)[O-] ZINC000681581136 544975855 /nfs/dbraw/zinc/97/58/55/544975855.db2.gz VNLFOQCTWNZDCD-VIFPVBQESA-N -1 0 315.307 -0.091 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N(CCC(=O)[O-])C1CC1 ZINC000681582057 544975952 /nfs/dbraw/zinc/97/59/52/544975952.db2.gz JMNSKPFONNCECP-UHFFFAOYSA-N -1 0 324.399 -0.235 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)N(CCO)CCC(=O)[O-] ZINC000681585071 544976051 /nfs/dbraw/zinc/97/60/51/544976051.db2.gz MAYBVSPRACKACU-UHFFFAOYSA-N -1 0 323.758 -0.225 20 0 DBADRM O=C([O-])CCN(CCO)S(=O)(=O)c1cnc2n1CCC2 ZINC000681584689 544976056 /nfs/dbraw/zinc/97/60/56/544976056.db2.gz FELKFXCEIHRBPQ-UHFFFAOYSA-N -1 0 303.340 -0.713 20 0 DBADRM CN(C1CC1)S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000681575018 544976088 /nfs/dbraw/zinc/97/60/88/544976088.db2.gz MVQOJHXDZNYPMZ-SNVBAGLBSA-N -1 0 302.356 -0.656 20 0 DBADRM CN(C1CC1)S(=O)(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000681588509 544977001 /nfs/dbraw/zinc/97/70/01/544977001.db2.gz HRUAMBJLBBRWSF-JTQLQIEISA-N -1 0 300.340 -0.440 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)NCc3nnnn3C)cc2=O)cc1 ZINC000681792657 544981315 /nfs/dbraw/zinc/98/13/15/544981315.db2.gz QOJPFALQXMWGHG-UHFFFAOYSA-N -1 0 313.321 -0.072 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1 ZINC000682525351 545000305 /nfs/dbraw/zinc/00/03/05/545000305.db2.gz QNSCACUPIRWWQM-SRVKXCTJSA-N -1 0 306.318 -0.169 20 0 DBADRM Cc1ccc(C[C@@H](CO)NC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC000682550145 545001090 /nfs/dbraw/zinc/00/10/90/545001090.db2.gz RKSMVBVTVSCXFZ-JTQLQIEISA-N -1 0 304.306 -0.075 20 0 DBADRM CCN(CCCNC(=O)C1CC(C(=O)[O-])C1)S(C)(=O)=O ZINC000682701631 545004488 /nfs/dbraw/zinc/00/44/88/545004488.db2.gz NTWANGXLDPTJRO-UHFFFAOYSA-N -1 0 306.384 -0.115 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1cccc(-c2nnnn2C)c1 ZINC000682832855 545005938 /nfs/dbraw/zinc/00/59/38/545005938.db2.gz LXKMHTFCDZTPAJ-UHFFFAOYSA-N -1 0 320.338 -0.194 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)c[nH]1 ZINC000683433778 545010248 /nfs/dbraw/zinc/01/02/48/545010248.db2.gz FWPYQXGWYMRBLY-SKDRFNHKSA-N -1 0 315.351 -0.170 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2ccon2)C[C@]12CCOC2 ZINC000683433406 545010490 /nfs/dbraw/zinc/01/04/90/545010490.db2.gz AOQDCXVVLCYJLA-JQWIXIFHSA-N -1 0 316.335 -0.073 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2ccon2)C[C@@]12CCOC2 ZINC000683433401 545010541 /nfs/dbraw/zinc/01/05/41/545010541.db2.gz AOQDCXVVLCYJLA-CMPLNLGQSA-N -1 0 316.335 -0.073 20 0 DBADRM C[C@@H](CNC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000054335634 545015523 /nfs/dbraw/zinc/01/55/23/545015523.db2.gz OHWNULDNYJZQKH-QMMMGPOBSA-N -1 0 315.351 -0.146 20 0 DBADRM O=C(CN1CCc2ccccc2C1=O)NCc1n[nH]c(=O)[n-]1 ZINC000684054111 545016776 /nfs/dbraw/zinc/01/67/76/545016776.db2.gz WEOJBHWWZNYNGV-UHFFFAOYSA-N -1 0 301.306 -0.175 20 0 DBADRM CN1C(=O)CN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1c1ccccc1 ZINC000684488983 545021180 /nfs/dbraw/zinc/02/11/80/545021180.db2.gz ALAJRNPPLVJWJO-GFCCVEGCSA-N -1 0 315.289 -0.104 20 0 DBADRM COC[C@](C)(NC(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000684739530 545023183 /nfs/dbraw/zinc/02/31/83/545023183.db2.gz CPJYSXPHJHYYIW-NSHDSACASA-N -1 0 322.383 -0.400 20 0 DBADRM O=C([O-])[C@@H](NC(=O)NCc1nnnn1C1CC1)[C@@H]1CCCOC1 ZINC000684736410 545023374 /nfs/dbraw/zinc/02/33/74/545023374.db2.gz PXZQJLWVKSOIIX-KCJUWKMLSA-N -1 0 324.341 -0.313 20 0 DBADRM CC[C@](C)(NC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC000684721591 545023428 /nfs/dbraw/zinc/02/34/28/545023428.db2.gz RXMGDPMCIGCFCL-NSHDSACASA-N -1 0 309.388 -0.180 20 0 DBADRM Cc1nnnn1-c1cccc(NC(=O)N[C@H](C(=O)[O-])[C@H](C)O)c1 ZINC000684746532 545023810 /nfs/dbraw/zinc/02/38/10/545023810.db2.gz XMOXQIGIDSZOQB-CPCISQLKSA-N -1 0 320.309 -0.074 20 0 DBADRM Cc1nc(NC(=O)c2ncccc2[O-])c(C(=O)NCCO)n1C ZINC000684844867 545024151 /nfs/dbraw/zinc/02/41/51/545024151.db2.gz IMJMXQAAEYXUDN-UHFFFAOYSA-N -1 0 319.321 -0.196 20 0 DBADRM CN(CCCNC(=O)c1cnc(C(=O)[O-])cn1)S(C)(=O)=O ZINC000685019302 545025421 /nfs/dbraw/zinc/02/54/21/545025421.db2.gz ORLDKLGPDPSJRQ-UHFFFAOYSA-N -1 0 316.339 -0.814 20 0 DBADRM Cc1cccc(CCNC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)n1 ZINC000526918961 545033972 /nfs/dbraw/zinc/03/39/72/545033972.db2.gz SVJNPANPHOUJQS-LBPRGKRZSA-N -1 0 317.349 -0.122 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000383548526 545037959 /nfs/dbraw/zinc/03/79/59/545037959.db2.gz RXCCPTFFGPZOQB-VIFPVBQESA-N -1 0 300.233 -0.204 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000390344868 545038148 /nfs/dbraw/zinc/03/81/48/545038148.db2.gz KPWNIJWJJSISOO-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)N(C)C)C1=O ZINC000417446897 265745181 /nfs/dbraw/zinc/74/51/81/265745181.db2.gz NMUWEYJRFSNYKW-RKDXNWHRSA-N -1 0 307.372 -0.908 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)N(C)C)C1=O ZINC000417446895 265745870 /nfs/dbraw/zinc/74/58/70/265745870.db2.gz NMUWEYJRFSNYKW-DTWKUNHWSA-N -1 0 307.372 -0.908 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)NCCCC(=O)[O-])[C@@H]1OC ZINC000420569978 265860951 /nfs/dbraw/zinc/86/09/51/265860951.db2.gz YMFBYZDXEUSGSL-NGZCFLSTSA-N -1 0 302.327 -0.724 20 0 DBADRM CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000422706862 265879604 /nfs/dbraw/zinc/87/96/04/265879604.db2.gz GHABKHWOJZGZNC-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000422638850 265880135 /nfs/dbraw/zinc/88/01/35/265880135.db2.gz VIEQNGKTSJLAPW-ZETCQYMHSA-N -1 0 323.280 -0.191 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N(C)CC1(O)CCCC1)C(=O)[O-] ZINC000422828444 265881322 /nfs/dbraw/zinc/88/13/22/265881322.db2.gz BAAKHGJXQASGJW-JTQLQIEISA-N -1 0 300.355 -0.071 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000422765269 265881406 /nfs/dbraw/zinc/88/14/06/265881406.db2.gz KTJHEZWJZBZOPX-YMTOWFKASA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000422765268 265881448 /nfs/dbraw/zinc/88/14/48/265881448.db2.gz KTJHEZWJZBZOPX-XPTSAGLGSA-N -1 0 312.322 -0.669 20 0 DBADRM CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000422839708 265881527 /nfs/dbraw/zinc/88/15/27/265881527.db2.gz AEXHXENJMOBFTL-VHSXEESVSA-N -1 0 316.354 -0.034 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CCn2cccn2)C1 ZINC000422816628 265881674 /nfs/dbraw/zinc/88/16/74/265881674.db2.gz BCQFLYMLUOFABL-NWDGAFQWSA-N -1 0 322.365 -0.089 20 0 DBADRM CCc1ccnc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424251677 265928475 /nfs/dbraw/zinc/92/84/75/265928475.db2.gz VPYVWEQCNXVPLP-NSHDSACASA-N -1 0 312.347 -0.032 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccccc2)CCS1(=O)=O ZINC000424370249 265929466 /nfs/dbraw/zinc/92/94/66/265929466.db2.gz SMQZLWTZLWEAFT-JTQLQIEISA-N -1 0 319.360 -0.441 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1ccccc1 ZINC000424387527 265931487 /nfs/dbraw/zinc/93/14/87/265931487.db2.gz FYXRMZXAWMPVAB-SECBINFHSA-N -1 0 324.318 -0.359 20 0 DBADRM COC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424401921 265932098 /nfs/dbraw/zinc/93/20/98/265932098.db2.gz CLMAAKRYMQVEQP-MRVPVSSYSA-N -1 0 308.356 -0.695 20 0 DBADRM C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424479256 265935888 /nfs/dbraw/zinc/93/58/88/265935888.db2.gz HLEMVPDGKMELLY-NXEZZACHSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)(O)C1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424485581 265936527 /nfs/dbraw/zinc/93/65/27/265936527.db2.gz YHBALSLKGSCGHI-UHFFFAOYSA-N -1 0 300.355 -0.167 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000424478624 265936584 /nfs/dbraw/zinc/93/65/84/265936584.db2.gz DBFMAYWTBLGRRK-SNVBAGLBSA-N -1 0 309.326 -0.577 20 0 DBADRM C[C@@H]1c2nncn2CCN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424484630 265936966 /nfs/dbraw/zinc/93/69/66/265936966.db2.gz VFSUDUHESGRPGP-SECBINFHSA-N -1 0 323.353 -0.202 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NCCCS(C)(=O)=O)C(=O)[O-] ZINC000424516602 265938337 /nfs/dbraw/zinc/93/83/37/265938337.db2.gz JVQMTKDWSHIENA-UHFFFAOYSA-N -1 0 322.383 -0.846 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC000424529732 265939349 /nfs/dbraw/zinc/93/93/49/265939349.db2.gz ZYGWCXNSDOEFIC-VHSXEESVSA-N -1 0 313.354 -0.804 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N(C)Cc2nnnn2C)c1 ZINC000424715310 265940860 /nfs/dbraw/zinc/94/08/60/265940860.db2.gz DORRPCFQGJBJAF-QFIPXVFZSA-N -1 0 323.378 -0.015 20 0 DBADRM COc1ccc(C(=O)NCC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000431777732 266026086 /nfs/dbraw/zinc/02/60/86/266026086.db2.gz BVZVNYBPPWWQKY-OAHLLOKOSA-N -1 0 322.317 -0.215 20 0 DBADRM C[C@H](CN(C)C(=O)c1cc(=O)[nH]c(N(C)C)n1)c1nnn[n-]1 ZINC000434252314 266049191 /nfs/dbraw/zinc/04/91/91/266049191.db2.gz ZTEKUVYBYDKUQK-SSDOTTSWSA-N -1 0 306.330 -0.363 20 0 DBADRM COC(=O)[C@@H](C)CN(C(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC000435372754 266060696 /nfs/dbraw/zinc/06/06/96/266060696.db2.gz SJHREJWTHUFTEL-QMMMGPOBSA-N -1 0 309.322 -0.100 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NC2(c3nnn[n-]3)CCCC2)c1=O ZINC000435363364 266061334 /nfs/dbraw/zinc/06/13/34/266061334.db2.gz SPMNUHIGIAPCNU-UHFFFAOYSA-N -1 0 305.298 -0.802 20 0 DBADRM COC[C@](C)(CC(=O)OC)NC(=O)c1cnc([O-])n(C)c1=O ZINC000435360363 266061521 /nfs/dbraw/zinc/06/15/21/266061521.db2.gz DUGLUUDUXPSZND-ZDUSSCGKSA-N -1 0 313.310 -0.816 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)CC1 ZINC000436833686 266072658 /nfs/dbraw/zinc/07/26/58/266072658.db2.gz WXOYTOURZGJPHG-JTQLQIEISA-N -1 0 319.365 -0.188 20 0 DBADRM CCC(=O)c1ccc([O-])c(NC(=O)CNS(=O)(=O)NC)c1 ZINC000436833137 266072811 /nfs/dbraw/zinc/07/28/11/266072811.db2.gz IYOXMGGSFZGQIH-UHFFFAOYSA-N -1 0 315.351 -0.023 20 0 DBADRM Cc1[nH]nc([N-]S(=O)(=O)c2cnc3n2CCC3)c1C(N)=O ZINC000437665870 266076993 /nfs/dbraw/zinc/07/69/93/266076993.db2.gz IRGPNRBLPGHYNO-UHFFFAOYSA-N -1 0 310.339 -0.239 20 0 DBADRM COC(=O)Cn1cc(CNC(=O)CC(C)(C)CC(=O)[O-])nn1 ZINC000441363506 266113049 /nfs/dbraw/zinc/11/30/49/266113049.db2.gz ZVEPJDULRYZFEP-UHFFFAOYSA-N -1 0 312.326 -0.042 20 0 DBADRM CN(C[C@H](O)CO)C(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000441751688 266119234 /nfs/dbraw/zinc/11/92/34/266119234.db2.gz LKFHFWIWCPWOLU-ZETCQYMHSA-N -1 0 316.383 -0.992 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)O1 ZINC000442661609 266126069 /nfs/dbraw/zinc/12/60/69/266126069.db2.gz CMVOLHORDNVRFL-CHWFTXMASA-N -1 0 314.338 -0.629 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)O1 ZINC000442661611 266126179 /nfs/dbraw/zinc/12/61/79/266126179.db2.gz CMVOLHORDNVRFL-RCWTZXSCSA-N -1 0 314.338 -0.629 20 0 DBADRM Cn1cnc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c1C(N)=O ZINC000442616839 266126816 /nfs/dbraw/zinc/12/68/16/266126816.db2.gz MAPJTMCIGDIBMH-UHFFFAOYSA-N -1 0 324.366 -0.147 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)[C@@H]1CCO[C@H]1C)C(=O)OC ZINC000442735573 266128772 /nfs/dbraw/zinc/12/87/72/266128772.db2.gz JNDXDNHOYWXMSH-XHNCKOQMSA-N -1 0 309.340 -0.812 20 0 DBADRM COCCN(CC(=O)N(C)C)S(=O)(=O)[N-]CC(F)(F)F ZINC000442909766 266130203 /nfs/dbraw/zinc/13/02/03/266130203.db2.gz WZQLGNCNCKZYJN-UHFFFAOYSA-N -1 0 321.321 -0.580 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)[C@H](C)O ZINC000442921410 266131445 /nfs/dbraw/zinc/13/14/45/266131445.db2.gz NAJFPVYPRVHFFD-XVKPBYJWSA-N -1 0 321.289 -0.318 20 0 DBADRM O=C1C[C@@]2(CN1)CCCN(S(=O)(=O)[N-]CC(F)(F)F)C2 ZINC000443009211 266132969 /nfs/dbraw/zinc/13/29/69/266132969.db2.gz JOCZHMWHOOLWHH-SECBINFHSA-N -1 0 315.317 -0.015 20 0 DBADRM O=C1CCCC(=O)N1CCNS(=O)(=O)[N-]CC(F)(F)F ZINC000443014588 266133400 /nfs/dbraw/zinc/13/34/00/266133400.db2.gz QHRQUKDWSZZQKQ-UHFFFAOYSA-N -1 0 317.289 -0.488 20 0 DBADRM C[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C(=O)N1CCOCC1 ZINC000442983919 266133733 /nfs/dbraw/zinc/13/37/33/266133733.db2.gz QFRUSKRLNDYVBO-SSDOTTSWSA-N -1 0 319.305 -0.780 20 0 DBADRM NC(=O)c1cc(CNS(=O)(=O)[N-]CC(F)(F)F)on1 ZINC000443012826 266133944 /nfs/dbraw/zinc/13/39/44/266133944.db2.gz IZNBZFCTOYSULK-UHFFFAOYSA-N -1 0 302.234 -0.740 20 0 DBADRM O=C1CC[C@@H]2CN(S(=O)(=O)[N-]CC(F)(F)F)CCN12 ZINC000443050467 266135650 /nfs/dbraw/zinc/13/56/50/266135650.db2.gz RHMQTZUKVGWSNF-SSDOTTSWSA-N -1 0 301.290 -0.310 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NCc1nnnn1CC1CC1 ZINC000443056223 266137139 /nfs/dbraw/zinc/13/71/39/266137139.db2.gz YVRBGXOOTBGKNJ-UHFFFAOYSA-N -1 0 314.293 -0.431 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NC[C@@H](CO)[C@@H]1CCOC1 ZINC000443222612 266139106 /nfs/dbraw/zinc/13/91/06/266139106.db2.gz LIIDKAOCAPGQTK-SFYZADRCSA-N -1 0 306.306 -0.382 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000450525493 266143974 /nfs/dbraw/zinc/14/39/74/266143974.db2.gz RLBOILXWQNMROQ-NGZCFLSTSA-N -1 0 304.368 -0.411 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000491796143 266147975 /nfs/dbraw/zinc/14/79/75/266147975.db2.gz FHRKOETXKHQICO-UHFFFAOYSA-N -1 0 316.335 -0.133 20 0 DBADRM COc1cc(/C=C/C(=O)NCC(=O)[O-])ccc1OCC(N)=O ZINC000492158258 266155371 /nfs/dbraw/zinc/15/53/71/266155371.db2.gz WKPXHXVLYXJVED-HWKANZROSA-N -1 0 308.290 -0.227 20 0 DBADRM Cn1cc(/C=C\C(=O)N2CCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000492320796 266158357 /nfs/dbraw/zinc/15/83/57/266158357.db2.gz PDHXICNUOZZKSN-WWQCOOJYSA-N -1 0 307.306 -0.827 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000492424745 266161746 /nfs/dbraw/zinc/16/17/46/266161746.db2.gz FQRDXNYLJXSAPK-DUXPYHPUSA-N -1 0 312.303 -0.640 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)/C=C\c1ccc2c(c1)CCO2 ZINC000492621176 266163029 /nfs/dbraw/zinc/16/30/29/266163029.db2.gz ULVJWZBGNIQLJL-RQOWECAXSA-N -1 0 310.331 -0.434 20 0 DBADRM COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)c2cnccn2)cn1 ZINC000492691678 266163861 /nfs/dbraw/zinc/16/38/61/266163861.db2.gz XOTAXKXUVCYLEN-NSCUHMNNSA-N -1 0 321.318 -0.207 20 0 DBADRM COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)c2cnnn2C)cn1 ZINC000492699962 266164422 /nfs/dbraw/zinc/16/44/22/266164422.db2.gz DNVNYBFRXGSLNK-ONEGZZNKSA-N -1 0 324.322 -0.868 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)N(C)c1ccccc1 ZINC000492789284 266165692 /nfs/dbraw/zinc/16/56/92/266165692.db2.gz JBMPVIWBNZCFQY-UHFFFAOYSA-N -1 0 301.324 -0.160 20 0 DBADRM CCn1ccnc1/C=C/C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000492857931 266167060 /nfs/dbraw/zinc/16/70/60/266167060.db2.gz KUIYNROPDUIMLD-SNAWJCMRSA-N -1 0 314.367 -0.502 20 0 DBADRM Cn1nccc1/C=C\C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000492893021 266167718 /nfs/dbraw/zinc/16/77/18/266167718.db2.gz HNQDXKUZMCGYHF-ARJAWSKDSA-N -1 0 300.340 -0.985 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CNC(=O)/C=C/c1cccnc1 ZINC000493018589 266169051 /nfs/dbraw/zinc/16/90/51/266169051.db2.gz PNWYXISVWNTVGS-SNAWJCMRSA-N -1 0 321.333 -0.229 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)/C=C/c2cncc(O)c2)C1 ZINC000493151843 266169642 /nfs/dbraw/zinc/16/96/42/266169642.db2.gz MTUVLIAGTQUKLL-KXMPLOMGSA-N -1 0 311.363 -0.050 20 0 DBADRM O=C(/C=C/c1cccnc1)NCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000493119495 266170705 /nfs/dbraw/zinc/17/07/05/266170705.db2.gz OSYARQBQHJYLCD-AAOUONPWSA-N -1 0 319.317 -0.477 20 0 DBADRM COCC[C@H](NC(=O)CNC(=O)/C=C/c1cccnc1)C(=O)[O-] ZINC000493172241 266171781 /nfs/dbraw/zinc/17/17/81/266171781.db2.gz PSLUYASQWFNOMS-ITKZLYELSA-N -1 0 321.333 -0.183 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000493257174 266173382 /nfs/dbraw/zinc/17/33/82/266173382.db2.gz OMZZKOODIYQYQQ-AATRIKPKSA-N -1 0 309.322 -0.581 20 0 DBADRM COC[C@](C)(NC(=O)CNC(=O)/C=C/c1cccnc1)C(=O)[O-] ZINC000493361806 266174436 /nfs/dbraw/zinc/17/44/36/266174436.db2.gz YTCQHPTZSFGFBO-NFAHFFEMSA-N -1 0 321.333 -0.183 20 0 DBADRM COC[C@](C)(NC(=O)CNC(=O)/C=C\c1cccnc1)C(=O)[O-] ZINC000493361808 266175082 /nfs/dbraw/zinc/17/50/82/266175082.db2.gz YTCQHPTZSFGFBO-YVACAVLKSA-N -1 0 321.333 -0.183 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)/C=C/C2CCOCC2)CCS1(=O)=O ZINC000493568579 266177116 /nfs/dbraw/zinc/17/71/16/266177116.db2.gz OURVKIPABAIPNB-GXFZAYBSSA-N -1 0 317.363 -0.321 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)[N-]CC(F)(F)CN ZINC000493601866 266179505 /nfs/dbraw/zinc/17/95/05/266179505.db2.gz FBOSTZCKNWCPIH-UHFFFAOYSA-N -1 0 315.323 -0.198 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000493755393 266180587 /nfs/dbraw/zinc/18/05/87/266180587.db2.gz MUOZKTUKPUENKJ-NIYRGSCSSA-N -1 0 321.333 -0.533 20 0 DBADRM O=C(/C=C\c1cccnc1)NCC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000493698478 266181009 /nfs/dbraw/zinc/18/10/09/266181009.db2.gz UNFICIXJTSXGOQ-ABCZVMIZSA-N -1 0 319.317 -0.429 20 0 DBADRM CCC[C@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000493848468 266182104 /nfs/dbraw/zinc/18/21/04/266182104.db2.gz QSCYNOKQECWCGR-GFVADAIESA-N -1 0 309.322 -0.533 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C\c1cncs1 ZINC000493775839 266182351 /nfs/dbraw/zinc/18/23/51/266182351.db2.gz IWHQUQZRYPYPTO-IHWYPQMZSA-N -1 0 303.365 -0.262 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)Nc1cc(S(N)(=O)=O)ccc1O ZINC000494434085 266192812 /nfs/dbraw/zinc/19/28/12/266192812.db2.gz JAJNYLYMLGWRPS-LURJTMIESA-N -1 0 317.323 -0.277 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000494949006 266199095 /nfs/dbraw/zinc/19/90/95/266199095.db2.gz DADYXPQKIYXBKS-VIFPVBQESA-N -1 0 308.356 -0.252 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000495371907 266203769 /nfs/dbraw/zinc/20/37/69/266203769.db2.gz LRVLTKJJCMURMZ-UHFFFAOYSA-N -1 0 301.324 -0.274 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000495327179 266204440 /nfs/dbraw/zinc/20/44/40/266204440.db2.gz VXDJNGRHMLKYHA-UHFFFAOYSA-N -1 0 304.328 -0.639 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccccc1OC ZINC000495353657 266204760 /nfs/dbraw/zinc/20/47/60/266204760.db2.gz WFHGDZUNRWNUSO-UHFFFAOYSA-N -1 0 316.335 -0.003 20 0 DBADRM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000495387292 266205581 /nfs/dbraw/zinc/20/55/81/266205581.db2.gz FLZOATMVRGNKDF-SSDOTTSWSA-N -1 0 323.371 -0.779 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CC(C(=O)[O-])C2)CC1 ZINC000495517739 266207562 /nfs/dbraw/zinc/20/75/62/266207562.db2.gz UVLCATCNEUEDLN-UHFFFAOYSA-N -1 0 321.355 -0.978 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)N(C)CC(=O)[O-])CC1 ZINC000495541278 266208868 /nfs/dbraw/zinc/20/88/68/266208868.db2.gz OYHVHJPIRVAZFT-UHFFFAOYSA-N -1 0 309.344 -0.978 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000495632494 266212074 /nfs/dbraw/zinc/21/20/74/266212074.db2.gz ZOGXMHISQUWLQQ-UHFFFAOYSA-N -1 0 317.342 -0.584 20 0 DBADRM CCOC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)C(C)C ZINC000495991055 266223427 /nfs/dbraw/zinc/22/34/27/266223427.db2.gz JGCUQGHGWQDCSU-UWVGGRQHSA-N -1 0 322.383 -0.008 20 0 DBADRM CCOC(=O)N1CCN(C(=O)CN2CCC[C@H]2C(=O)[O-])CC1 ZINC000496057967 266224686 /nfs/dbraw/zinc/22/46/86/266224686.db2.gz RNDXRJQTELPXIC-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000496076843 266225310 /nfs/dbraw/zinc/22/53/10/266225310.db2.gz QWZWHBLHQXQEPG-IUCAKERBSA-N -1 0 308.356 -0.397 20 0 DBADRM CCOC(=O)N1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])CC1 ZINC000496110620 266226509 /nfs/dbraw/zinc/22/65/09/266226509.db2.gz XTBATQCTBJJOJM-UHFFFAOYSA-N -1 0 315.326 -0.780 20 0 DBADRM CCOC(=O)N1CCN(C(=O)CN(C)[C@H](C)C(=O)[O-])CC1 ZINC000496234148 266229304 /nfs/dbraw/zinc/22/93/04/266229304.db2.gz OVIWQHWAWRBRBZ-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1 ZINC000496238205 266229838 /nfs/dbraw/zinc/22/98/38/266229838.db2.gz KMVTUVXLNGESBY-SECBINFHSA-N -1 0 318.307 -0.411 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)OC)C(C)C)CC1 ZINC000496275726 266231041 /nfs/dbraw/zinc/23/10/41/266231041.db2.gz NWWMHFTYWHYANC-VIFPVBQESA-N -1 0 322.383 -0.008 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)[N-]OCC(N)=O)=NO1 ZINC000496718455 266243336 /nfs/dbraw/zinc/24/33/36/266243336.db2.gz KDQGLRCJMCSMDP-SSDOTTSWSA-N -1 0 316.314 -0.811 20 0 DBADRM CCOC(=O)NCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000496722012 266243525 /nfs/dbraw/zinc/24/35/25/266243525.db2.gz QTMDKFDGCLKBJA-MRVPVSSYSA-N -1 0 303.315 -0.830 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)CCC(C)(C)OC ZINC000496819208 266245909 /nfs/dbraw/zinc/24/59/09/266245909.db2.gz LXJYDMHPKSDOPE-UHFFFAOYSA-N -1 0 310.372 -0.006 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NCCc1nc(=O)o[n-]1 ZINC000496815869 266246383 /nfs/dbraw/zinc/24/63/83/266246383.db2.gz FSFIICXMWBGCKJ-JGVFFNPUSA-N -1 0 312.326 -0.065 20 0 DBADRM C[C@H]1OC(=O)N[C@@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000497039837 266254229 /nfs/dbraw/zinc/25/42/29/266254229.db2.gz WZTWUZCGBDCCOF-XCBNKYQSSA-N -1 0 302.294 -0.020 20 0 DBADRM Cn1nccc1[C@H](NS(=O)(=O)CC[C@H]1CCOC1)C(=O)[O-] ZINC000514668776 266263238 /nfs/dbraw/zinc/26/32/38/266263238.db2.gz NBVTZAQJHOZWSU-KOLCDFICSA-N -1 0 317.367 -0.108 20 0 DBADRM Cn1nccc1[C@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)[O-] ZINC000514668778 266263457 /nfs/dbraw/zinc/26/34/57/266263457.db2.gz NBVTZAQJHOZWSU-ONGXEEELSA-N -1 0 317.367 -0.108 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000514669287 266263651 /nfs/dbraw/zinc/26/36/51/266263651.db2.gz ZFRGDYOKVHVZNH-JTQLQIEISA-N -1 0 313.339 -0.259 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000514942024 266267658 /nfs/dbraw/zinc/26/76/58/266267658.db2.gz OVBOZLPCMCREEM-FXBDTBDDSA-N -1 0 303.340 -0.498 20 0 DBADRM CCOc1ccccc1C(=O)NCC(=O)NC[C@](C)(O)C(=O)[O-] ZINC000515060057 266267814 /nfs/dbraw/zinc/26/78/14/266267814.db2.gz UDWXRECJABFGEC-HNNXBMFYSA-N -1 0 324.333 -0.233 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-] ZINC000515173675 266268513 /nfs/dbraw/zinc/26/85/13/266268513.db2.gz MNKJFRFBWZBDEU-MWLCHTKSSA-N -1 0 318.351 -0.017 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCc2nnn(C)n2)c1 ZINC000515187838 266268755 /nfs/dbraw/zinc/26/87/55/266268755.db2.gz AXWMXULKYWHPDT-NRFANRHFSA-N -1 0 309.351 -0.357 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000515302373 266270932 /nfs/dbraw/zinc/27/09/32/266270932.db2.gz RUFLMLCWZOUFCS-OHTBPHCPSA-N -1 0 313.350 -0.012 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)C1 ZINC000515467547 266271951 /nfs/dbraw/zinc/27/19/51/266271951.db2.gz COUBQJQEXMANCX-PSASIEDQSA-N -1 0 302.356 -0.278 20 0 DBADRM COC[C@@H](NC(=O)NCCCOC[C@H]1CCCO1)C(=O)[O-] ZINC000515582243 266273087 /nfs/dbraw/zinc/27/30/87/266273087.db2.gz KUWJEQIPOKRQGA-GHMZBOCLSA-N -1 0 304.343 -0.029 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)N1CCOCC1 ZINC000515500739 266273245 /nfs/dbraw/zinc/27/32/45/266273245.db2.gz UMYZVPURXRRBEX-QWRGUYRKSA-N -1 0 309.370 -0.063 20 0 DBADRM O=C([O-])C[C@H]1CN(S(=O)(=O)CC[C@@H]2CCOC2)CCO1 ZINC000515643201 266273765 /nfs/dbraw/zinc/27/37/65/266273765.db2.gz FKBXOVWJCBDLHP-QWRGUYRKSA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])C[C@@H]1CN(S(=O)(=O)CC[C@@H]2CCOC2)CCO1 ZINC000515643202 266273926 /nfs/dbraw/zinc/27/39/26/266273926.db2.gz FKBXOVWJCBDLHP-WDEREUQCSA-N -1 0 307.368 -0.082 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000516563615 266281668 /nfs/dbraw/zinc/28/16/68/266281668.db2.gz MLDKMSNJTLUWKS-ZJUUUORDSA-N -1 0 317.367 -0.113 20 0 DBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000517566425 266294777 /nfs/dbraw/zinc/29/47/77/266294777.db2.gz SGGFKLFBCQEVDA-RKDXNWHRSA-N -1 0 311.342 -0.486 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)NC2CC2)C1=O ZINC000518139412 266297742 /nfs/dbraw/zinc/29/77/42/266297742.db2.gz IUYIOGIRYNAULP-VHSXEESVSA-N -1 0 319.383 -0.717 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000517906800 266298756 /nfs/dbraw/zinc/29/87/56/266298756.db2.gz IGLPWKWHJOMWCV-RKDXNWHRSA-N -1 0 303.340 -0.503 20 0 DBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000518978481 266304144 /nfs/dbraw/zinc/30/41/44/266304144.db2.gz VJRIAEJJCASDAA-CQSZACIVSA-N -1 0 322.321 -0.454 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)C1 ZINC000518796891 266305212 /nfs/dbraw/zinc/30/52/12/266305212.db2.gz CYRSJRSLDPPESC-GMTAPVOTSA-N -1 0 306.384 -0.270 20 0 DBADRM CCOCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000518985257 266306635 /nfs/dbraw/zinc/30/66/35/266306635.db2.gz UFSWOEKALMRYRW-NSHDSACASA-N -1 0 315.370 -0.854 20 0 DBADRM Cn1[n-]nnc1=NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000519356473 266308636 /nfs/dbraw/zinc/30/86/36/266308636.db2.gz JRWSPVDJFNFEGM-UHFFFAOYSA-N -1 0 316.365 -0.056 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)[C@@H]3COCCO3)C2)nn1 ZINC000519818577 266314331 /nfs/dbraw/zinc/31/43/31/266314331.db2.gz DWEKECPYEACMPK-KOLCDFICSA-N -1 0 310.310 -0.445 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N[C@H](C(=O)[O-])C2CC2)CC1 ZINC000519741963 266315006 /nfs/dbraw/zinc/31/50/06/266315006.db2.gz UNOPTGGVGITREU-VIFPVBQESA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])C1(O)CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 ZINC000519815767 266315122 /nfs/dbraw/zinc/31/51/22/266315122.db2.gz AAFUPAUUZOWFCZ-SNVBAGLBSA-N -1 0 307.368 -0.203 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N[C@@H](C(=O)[O-])C2CC2)CC1 ZINC000519741962 266315209 /nfs/dbraw/zinc/31/52/09/266315209.db2.gz UNOPTGGVGITREU-SECBINFHSA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)[C@H]3COCCO3)C2)nn1 ZINC000519818575 266315300 /nfs/dbraw/zinc/31/53/00/266315300.db2.gz DWEKECPYEACMPK-GXSJLCMTSA-N -1 0 310.310 -0.445 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000519780002 266315373 /nfs/dbraw/zinc/31/53/73/266315373.db2.gz VCWCWKWADVUNOA-JTQLQIEISA-N -1 0 322.383 -0.352 20 0 DBADRM O=C(NCCNS(=O)(=O)c1ccccc1)c1n[nH]c(=O)[n-]1 ZINC000520751581 266321979 /nfs/dbraw/zinc/32/19/79/266321979.db2.gz UFLCZMJNBHWYBN-UHFFFAOYSA-N -1 0 311.323 -0.781 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC000521063684 266324485 /nfs/dbraw/zinc/32/44/85/266324485.db2.gz YCPUZLQXSBGQSC-ZDUSSCGKSA-N -1 0 305.294 -0.464 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(N2CCNC2=O)cc1 ZINC000521536407 266328369 /nfs/dbraw/zinc/32/83/69/266328369.db2.gz AUBVAKSVIIGVQB-UHFFFAOYSA-N -1 0 317.305 -0.135 20 0 DBADRM Cn1nccc1[C@H](CO)NS(=O)(=O)[N-]CC(F)(F)F ZINC000522013054 266331410 /nfs/dbraw/zinc/33/14/10/266331410.db2.gz BNDPTZYMIPKBCT-LURJTMIESA-N -1 0 302.278 -0.560 20 0 DBADRM Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2n[nH]c(=O)[n-]2)cn1 ZINC000525965593 266348800 /nfs/dbraw/zinc/34/88/00/266348800.db2.gz HQNZXHISQVKZTK-UWVGGRQHSA-N -1 0 323.332 -0.414 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@@H]3CC[C@@H](C(=O)[O-])O3)C2=O)cn1 ZINC000525951217 266349208 /nfs/dbraw/zinc/34/92/08/266349208.db2.gz KQQCYEYTADRNQW-DCAQKATOSA-N -1 0 322.321 -0.726 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1noc2c1COCC2 ZINC000527598782 266362507 /nfs/dbraw/zinc/36/25/07/266362507.db2.gz SJECOARDLYUSON-QMMMGPOBSA-N -1 0 316.335 -0.014 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000528992997 266382426 /nfs/dbraw/zinc/38/24/26/266382426.db2.gz FROVTLNQVYQXJU-QHOPCYEYSA-N -1 0 302.356 -0.321 20 0 DBADRM Cn1nccc1CC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000529103040 266384020 /nfs/dbraw/zinc/38/40/20/266384020.db2.gz CFZCRFPVXRQQIV-JTQLQIEISA-N -1 0 301.368 -0.024 20 0 DBADRM CC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)C1 ZINC000529109696 266384195 /nfs/dbraw/zinc/38/41/95/266384195.db2.gz REBXNUSFBLURKV-GHMZBOCLSA-N -1 0 318.395 -0.132 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)C1 ZINC000529115077 266384243 /nfs/dbraw/zinc/38/42/43/266384243.db2.gz WYHTZURSOIENDE-JTQLQIEISA-N -1 0 304.368 -0.522 20 0 DBADRM CC(C)[C@H](CO)ONC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000529453891 266392492 /nfs/dbraw/zinc/39/24/92/266392492.db2.gz FTSBHWQPPCPLGO-QWRGUYRKSA-N -1 0 308.400 -0.277 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)cc1=O ZINC000529752007 266398126 /nfs/dbraw/zinc/39/81/26/266398126.db2.gz LFYLCVFJQIDZAZ-OAHLLOKOSA-N -1 0 324.381 -0.529 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000529772636 266399056 /nfs/dbraw/zinc/39/90/56/266399056.db2.gz TWCSPHSBOGLBHT-ZJUUUORDSA-N -1 0 318.289 -0.909 20 0 DBADRM COC[C@@]1(NC(=O)c2cc(=O)[nH][n-]2)COc2ccccc2C1 ZINC000529957138 266403187 /nfs/dbraw/zinc/40/31/87/266403187.db2.gz BBPLZOYQVGSXHA-OAHLLOKOSA-N -1 0 303.318 -0.001 20 0 DBADRM CCn1ncc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC000530150410 266405908 /nfs/dbraw/zinc/40/59/08/266405908.db2.gz JSKWMCOAGHIBRL-UHFFFAOYSA-N -1 0 317.371 -0.571 20 0 DBADRM CS(=O)(=O)c1cc(CN2CCN(C(=O)C(=O)[O-])CC2)co1 ZINC000530211284 266407861 /nfs/dbraw/zinc/40/78/61/266407861.db2.gz HSCHNUUTLDCKNY-UHFFFAOYSA-N -1 0 316.335 -0.588 20 0 DBADRM Cc1c([C@H](NS(=O)(=O)[C@@H]2CCOC2)C(=O)[O-])cnn1C ZINC000530383049 266410169 /nfs/dbraw/zinc/41/01/69/266410169.db2.gz JEJAYQYDAFZMRH-SCZZXKLOSA-N -1 0 303.340 -0.437 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000262857930 278096357 /nfs/dbraw/zinc/09/63/57/278096357.db2.gz TUADEZDLABPMCR-QMTHXVAHSA-N -1 0 313.354 -0.612 20 0 DBADRM CC(=O)NCCN(C(=O)CNC(=O)C(C)(C)C)[C@@H](C)C(=O)[O-] ZINC000262176489 278104604 /nfs/dbraw/zinc/10/46/04/278104604.db2.gz DZHNMJSEBGHJCU-VIFPVBQESA-N -1 0 315.370 -0.414 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)CCCCF ZINC000262307542 278112655 /nfs/dbraw/zinc/11/26/55/278112655.db2.gz MRVZVMMGUYDRAY-VIFPVBQESA-N -1 0 312.363 -0.023 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)[C@H]1CCOC1 ZINC000262396174 278113210 /nfs/dbraw/zinc/11/32/10/278113210.db2.gz JFYYPQDOYNSPFL-SCZZXKLOSA-N -1 0 308.356 -0.984 20 0 DBADRM CC(C)CN(CCC(=O)[O-])C(=O)Cn1ccc(=O)n(C)c1=O ZINC000262426732 278854204 /nfs/dbraw/zinc/85/42/04/278854204.db2.gz RCEAAGWLNTVXNM-UHFFFAOYSA-N -1 0 311.338 -0.494 20 0 DBADRM CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000136247999 280226147 /nfs/dbraw/zinc/22/61/47/280226147.db2.gz PVKYGCWXQCMJFE-VIFPVBQESA-N -1 0 317.367 -0.098 20 0 DBADRM CC(C)[C@H](NC(=O)CSCC(=O)N1CCOCC1)C(=O)[O-] ZINC000037432847 280295518 /nfs/dbraw/zinc/29/55/18/280295518.db2.gz PQCGIBZFMGGNJS-LBPRGKRZSA-N -1 0 318.395 -0.196 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cn1 ZINC000274989664 280767856 /nfs/dbraw/zinc/76/78/56/280767856.db2.gz YYSAPDIFZALJMQ-QMMMGPOBSA-N -1 0 304.328 -0.929 20 0 DBADRM CN1C(=O)C[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])[C@@H]1c1cccnc1 ZINC000262355727 289836069 /nfs/dbraw/zinc/83/60/69/289836069.db2.gz FVXARYQRABRSFA-ITDIGPHOSA-N -1 0 321.333 -0.447 20 0 DBADRM CN1C(=O)c2ccc(C(=O)N3CCOC[C@H]3C(=O)[O-])cc2C1=O ZINC000262404026 289858463 /nfs/dbraw/zinc/85/84/63/289858463.db2.gz AJNTUGVRGOZNRT-NSHDSACASA-N -1 0 318.285 -0.162 20 0 DBADRM CN1CCN(c2cc(N3CCC[C@@H]3C(=O)[O-])ncn2)CC1=O ZINC000263401327 290057575 /nfs/dbraw/zinc/05/75/75/290057575.db2.gz IYZOKZGDJDLDII-SNVBAGLBSA-N -1 0 305.338 -0.192 20 0 DBADRM CN1C[C@H](NC(=O)c2nn(-c3ccccc3)cc2[O-])C(=O)N1 ZINC000362981724 290309031 /nfs/dbraw/zinc/30/90/31/290309031.db2.gz CRDWMRQPABXSLG-JTQLQIEISA-N -1 0 301.306 -0.347 20 0 DBADRM COC[C@H](C)S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000262462198 293046448 /nfs/dbraw/zinc/04/64/48/293046448.db2.gz SKBMIWFUMDJVEN-DTWKUNHWSA-N -1 0 310.372 -0.738 20 0 DBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC000252872379 293923410 /nfs/dbraw/zinc/92/34/10/293923410.db2.gz UCJVUBRWLKYQQQ-OPRDCNLKSA-N -1 0 305.352 -0.346 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])C[C@H](C)O1 ZINC000251636505 297052195 /nfs/dbraw/zinc/05/21/95/297052195.db2.gz ITNMTVRSMABJMS-OUAUKWLOSA-N -1 0 322.383 -0.484 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])C[C@@H](C)O1 ZINC000251636501 297052221 /nfs/dbraw/zinc/05/22/21/297052221.db2.gz ITNMTVRSMABJMS-GMTAPVOTSA-N -1 0 322.383 -0.484 20 0 DBADRM COc1ccc([C@H]2[C@@H](C(=O)[N-]OCC(N)=O)CC(=O)N2C)cc1 ZINC000376148980 295252154 /nfs/dbraw/zinc/25/21/54/295252154.db2.gz KGESJRKRCIMRQP-FZMZJTMJSA-N -1 0 321.333 -0.252 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000262109839 295481707 /nfs/dbraw/zinc/48/17/07/295481707.db2.gz OBHSERBQTNHRGE-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000080989088 295504663 /nfs/dbraw/zinc/50/46/63/295504663.db2.gz AFDWHHKGGWCJMF-SECBINFHSA-N -1 0 313.397 -0.310 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NCCCC(=O)[O-] ZINC000263370559 295533483 /nfs/dbraw/zinc/53/34/83/295533483.db2.gz MSLKUUUVGWAMMS-ZJUUUORDSA-N -1 0 321.399 -0.132 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])C1 ZINC000252160866 297360360 /nfs/dbraw/zinc/36/03/60/297360360.db2.gz PVGAORWVZQHXMJ-AXFHLTTASA-N -1 0 306.384 -0.006 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCCN1S(=O)(=O)CCS(C)(=O)=O ZINC000132857044 297875702 /nfs/dbraw/zinc/87/57/02/297875702.db2.gz UXTOBXQFPJLTQD-JTQLQIEISA-N -1 0 313.397 -0.310 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000263254627 298205337 /nfs/dbraw/zinc/20/53/37/298205337.db2.gz FKANEDDBWNAIOL-MRVPVSSYSA-N -1 0 313.335 -0.585 20 0 DBADRM C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cnc([O-])n(C)c1=O ZINC000329374552 300500991 /nfs/dbraw/zinc/50/09/91/300500991.db2.gz LCHUUTRHVHYYPW-QWRGUYRKSA-N -1 0 322.365 -0.579 20 0 DBADRM C[C@H]1OCC[C@@]12CN(C(=O)c1cnc([O-])n(C)c1=O)CCO2 ZINC000408298580 300619383 /nfs/dbraw/zinc/61/93/83/300619383.db2.gz PARQVERABVWEJI-YMTOWFKASA-N -1 0 309.322 -0.494 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCN(C)C2=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266924827 301147589 /nfs/dbraw/zinc/14/75/89/301147589.db2.gz XCVRNDRBDAYFID-ZETCQYMHSA-N -1 0 317.305 -0.295 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-] ZINC000285210138 302397561 /nfs/dbraw/zinc/39/75/61/302397561.db2.gz RSZMNHZPHNYJNP-NSHDSACASA-N -1 0 305.356 -0.520 20 0 DBADRM Cc1ncc(C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])s1 ZINC000333591723 302694320 /nfs/dbraw/zinc/69/43/20/302694320.db2.gz PFFUIAWCOCFFBN-ZCFIWIBFSA-N -1 0 309.307 -0.142 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000129472377 302746805 /nfs/dbraw/zinc/74/68/05/302746805.db2.gz GPNWAYNXZNNPKJ-JTQLQIEISA-N -1 0 317.367 -0.099 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000085855724 302750217 /nfs/dbraw/zinc/75/02/17/302750217.db2.gz IERJAEHJROAPSD-LLVKDONJSA-N -1 0 303.340 -0.441 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1Cl ZINC000274975697 303017510 /nfs/dbraw/zinc/01/75/10/303017510.db2.gz CUUPTXHDIKNQQZ-LURJTMIESA-N -1 0 309.731 -0.452 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c1Cl ZINC000367255901 303018409 /nfs/dbraw/zinc/01/84/09/303018409.db2.gz YYEOOBBJHAQDAN-VIFPVBQESA-N -1 0 309.731 -0.405 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000227866878 303049594 /nfs/dbraw/zinc/04/95/94/303049594.db2.gz ZMZMIGJCBPGNMY-SSDOTTSWSA-N -1 0 309.731 -0.452 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000230811806 303049990 /nfs/dbraw/zinc/04/99/90/303049990.db2.gz KPVBJZZVUHVPGW-VIFPVBQESA-N -1 0 309.731 -0.405 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000362697571 303253193 /nfs/dbraw/zinc/25/31/93/303253193.db2.gz CJJGROMJAFKPJC-LLVKDONJSA-N -1 0 308.290 -0.524 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C1C2CC3CC(C2)CC1C3 ZINC000408481172 303253586 /nfs/dbraw/zinc/25/35/86/303253586.db2.gz XTMDTGQTQMSZSU-UHFFFAOYSA-N -1 0 300.380 -0.010 20 0 DBADRM NC(=O)Cn1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])nn1 ZINC000262385831 303262614 /nfs/dbraw/zinc/26/26/14/303262614.db2.gz MBNABXCAWSNZDS-GDPRMGEGSA-N -1 0 321.337 -0.379 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1=O ZINC000570507858 332765853 /nfs/dbraw/zinc/76/58/53/332765853.db2.gz HUZLSTQAERQDFM-UHFFFAOYSA-N -1 0 305.290 -0.376 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC000570746726 332810088 /nfs/dbraw/zinc/81/00/88/332810088.db2.gz RHQZVLKYZKBGIS-NGZCFLSTSA-N -1 0 311.338 -0.909 20 0 DBADRM NC(=O)N[C@@H](CC(=O)NCCc1nc(=O)o[n-]1)c1ccccc1 ZINC000570785421 332815477 /nfs/dbraw/zinc/81/54/77/332815477.db2.gz VBYODUUOIWJHFE-JTQLQIEISA-N -1 0 319.321 -0.179 20 0 DBADRM Cc1ccc(CS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c(F)c1 ZINC000570806065 332819831 /nfs/dbraw/zinc/81/98/31/332819831.db2.gz XSILRNXVRBRUKU-SNVBAGLBSA-N -1 0 318.326 -0.118 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NCCC(=O)NCc2cccnc2)O1 ZINC000570931449 332844285 /nfs/dbraw/zinc/84/42/85/332844285.db2.gz PUEBQKOXAOAPEN-NWDGAFQWSA-N -1 0 321.333 -0.164 20 0 DBADRM Cc1ccncc1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000584175998 331854600 /nfs/dbraw/zinc/85/46/00/331854600.db2.gz SCDRTPOHDCENSV-ZRNGKTOUSA-N -1 0 318.376 -0.404 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000569344967 331918842 /nfs/dbraw/zinc/91/88/42/331918842.db2.gz BVCXSMZCGVNHPZ-SSDOTTSWSA-N -1 0 321.380 -0.758 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000566174355 332018175 /nfs/dbraw/zinc/01/81/75/332018175.db2.gz QBKQQAYIZJVEFM-CHWFTXMASA-N -1 0 304.368 -0.063 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N[C@H](COC)C(=O)[O-] ZINC000566185134 332025472 /nfs/dbraw/zinc/02/54/72/332025472.db2.gz YOUKGSYQZUKJKW-MRVPVSSYSA-N -1 0 304.324 -0.142 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-] ZINC000569380380 332069113 /nfs/dbraw/zinc/06/91/13/332069113.db2.gz CCHSGLFXJFUVKO-JTQLQIEISA-N -1 0 301.343 -0.804 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NCCCC(=O)[O-])cn1 ZINC000569457107 332090150 /nfs/dbraw/zinc/09/01/50/332090150.db2.gz NIANVRUJENVPKO-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM O=C([O-])C1(CNC(=O)Cn2nc3ccccn3c2=O)CCC1 ZINC000316773695 332147661 /nfs/dbraw/zinc/14/76/61/332147661.db2.gz XLLOKTPXDAXKEU-UHFFFAOYSA-N -1 0 304.306 -0.133 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)OC ZINC000566242655 332275858 /nfs/dbraw/zinc/27/58/58/332275858.db2.gz OWCDKHQDUQWKFN-OUAUKWLOSA-N -1 0 316.354 -0.667 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCC1 ZINC000573968660 332300188 /nfs/dbraw/zinc/30/01/88/332300188.db2.gz APQUEZCWFBKWJH-UHFFFAOYSA-N -1 0 323.349 -0.809 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000574210895 332333262 /nfs/dbraw/zinc/33/32/62/332333262.db2.gz RALJZBLTUOUAGL-HGNGGELXSA-N -1 0 303.340 -0.357 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000566311840 332334135 /nfs/dbraw/zinc/33/41/35/332334135.db2.gz JHQIPMBMWHRVKH-XKNYDFJKSA-N -1 0 320.367 -0.856 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C(C)C)C1 ZINC000582125374 332342467 /nfs/dbraw/zinc/34/24/67/332342467.db2.gz PUNYZYQZBRTOAS-ZJUUUORDSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@@H]1CN(C(=O)N2CCS(=O)(=O)CC2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC000574812963 332432081 /nfs/dbraw/zinc/43/20/81/332432081.db2.gz MMZOJTUTZKYOFQ-KXUCPTDWSA-N -1 0 320.367 -0.601 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cc2ccccc2O)CCS1(=O)=O ZINC000572720795 332657357 /nfs/dbraw/zinc/65/73/57/332657357.db2.gz AKEQGMIZZYFOKJ-NSHDSACASA-N -1 0 313.331 -0.355 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2cnn(C)c2)C[C@H]1C(=O)[O-] ZINC000569847137 332685063 /nfs/dbraw/zinc/68/50/63/332685063.db2.gz CLQHQJPOOUGCMY-MWLCHTKSSA-N -1 0 308.338 -0.395 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])o1 ZINC000569932016 332694752 /nfs/dbraw/zinc/69/47/52/332694752.db2.gz TXVYDWJTVPYZOQ-QMMMGPOBSA-N -1 0 323.348 -0.540 20 0 DBADRM NC(=O)c1ccc(C(F)(F)F)n(CC(=O)NCC(=O)[O-])c1=O ZINC000572999817 332708020 /nfs/dbraw/zinc/70/80/20/332708020.db2.gz IUINQUDWLBDJEV-UHFFFAOYSA-N -1 0 321.211 -0.833 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)cn1C ZINC000570323610 332739264 /nfs/dbraw/zinc/73/92/64/332739264.db2.gz YJAWODQVDVGZCL-KOLCDFICSA-N -1 0 317.367 -0.113 20 0 DBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000570448628 332756954 /nfs/dbraw/zinc/75/69/54/332756954.db2.gz NBVCWLIGLXXXLO-NXEZZACHSA-N -1 0 317.367 -0.019 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000584326016 333033353 /nfs/dbraw/zinc/03/33/53/333033353.db2.gz MMFHFHYSSHJDHO-OPRDCNLKSA-N -1 0 323.367 -0.717 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)N1CCc2ccccc2C1 ZINC000388714861 333151571 /nfs/dbraw/zinc/15/15/71/333151571.db2.gz YSECIIJLILFNCL-UHFFFAOYSA-N -1 0 314.363 -0.332 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCCCC(=O)[O-])O1 ZINC000571400299 333782537 /nfs/dbraw/zinc/78/25/37/333782537.db2.gz LQURELFSWFSPAW-ZJUUUORDSA-N -1 0 301.343 -0.214 20 0 DBADRM COC[C@H](NC(=O)NCc1cc(=O)n2ccccc2n1)C(=O)[O-] ZINC000582304334 336904028 /nfs/dbraw/zinc/90/40/28/336904028.db2.gz JZOGETHGSHHXBY-JTQLQIEISA-N -1 0 320.305 -0.407 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000390029528 336934028 /nfs/dbraw/zinc/93/40/28/336934028.db2.gz CONVZPOVGQAGLP-VIFPVBQESA-N -1 0 309.388 -0.276 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)NCCNS(=O)(=O)CC)C(=O)[O-] ZINC000390194919 336934541 /nfs/dbraw/zinc/93/45/41/336934541.db2.gz UHNUGBONLSDMJH-IUCAKERBSA-N -1 0 309.388 -0.276 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc(Br)o1 ZINC000390355345 336937311 /nfs/dbraw/zinc/93/73/11/336937311.db2.gz QHCNLCCDGYNPHP-SCSAIBSYSA-N -1 0 314.113 -0.234 20 0 DBADRM C[S@](=O)CCCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000582484021 337097116 /nfs/dbraw/zinc/09/71/16/337097116.db2.gz CISMRGQDMLFMJO-KRWDZBQOSA-N -1 0 312.394 -0.112 20 0 DBADRM C[S@@](=O)CCCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000582484022 337097136 /nfs/dbraw/zinc/09/71/36/337097136.db2.gz CISMRGQDMLFMJO-QGZVFWFLSA-N -1 0 312.394 -0.112 20 0 DBADRM C[C@H](CS(C)(=O)=O)NS(=O)(=O)CCCCCC(=O)[O-] ZINC000582484499 337097154 /nfs/dbraw/zinc/09/71/54/337097154.db2.gz LRZSCXLXYJASME-SECBINFHSA-N -1 0 315.413 -0.016 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCn3cncc3C2)C[C@@H]1C(=O)[O-] ZINC000582546690 337103329 /nfs/dbraw/zinc/10/33/29/337103329.db2.gz FFZPJGYIMKXLFJ-PWSUYJOCSA-N -1 0 320.349 -0.206 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)CCCC(F)(F)F ZINC000582539942 337106689 /nfs/dbraw/zinc/10/66/89/337106689.db2.gz AFGXAQCZKIBTLE-UHFFFAOYSA-N -1 0 320.289 -0.161 20 0 DBADRM O=C([O-])[C@]1(NC(=O)NCCCO[C@H]2CCOC2)CCOC1 ZINC000582643866 337114030 /nfs/dbraw/zinc/11/40/30/337114030.db2.gz DEJZOVPKVPHPIA-GWCFXTLKSA-N -1 0 302.327 -0.275 20 0 DBADRM COCC1(CC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000582665826 337118080 /nfs/dbraw/zinc/11/80/80/337118080.db2.gz CTVMAYANIUXNPM-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])nn1 ZINC000582788953 337166318 /nfs/dbraw/zinc/16/63/18/337166318.db2.gz PZQDZSDSJOAAMG-KWQFWETISA-N -1 0 310.310 -0.224 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccn(C)n2)C1 ZINC000582843626 337208296 /nfs/dbraw/zinc/20/82/96/337208296.db2.gz RHQIFIFMKYVKTK-GFCCVEGCSA-N -1 0 317.367 -0.078 20 0 DBADRM CNS(=O)(=O)C1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC000582909918 337216434 /nfs/dbraw/zinc/21/64/34/337216434.db2.gz AEOYUVYPDIRMPC-UHFFFAOYSA-N -1 0 300.340 -0.307 20 0 DBADRM CC(=O)NCCN(C(=O)c1cn2c(n1)CCC2)[C@H](C)C(=O)[O-] ZINC000582964760 337220871 /nfs/dbraw/zinc/22/08/71/337220871.db2.gz IEYHBEMRIMGZNE-SECBINFHSA-N -1 0 308.338 -0.119 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC2(CC(=O)[O-])CC2)o1 ZINC000583029491 337230959 /nfs/dbraw/zinc/23/09/59/337230959.db2.gz RICYYGMHIMHHPY-UHFFFAOYSA-N -1 0 302.308 -0.075 20 0 DBADRM COc1ccc(NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000396635882 337241815 /nfs/dbraw/zinc/24/18/15/337241815.db2.gz GQKQEXFUBPKGOY-UHFFFAOYSA-N -1 0 321.333 -0.138 20 0 DBADRM Cc1ccc(CNC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000396684237 337241941 /nfs/dbraw/zinc/24/19/41/337241941.db2.gz PRAKZTRUDOCOHG-UHFFFAOYSA-N -1 0 319.361 -0.160 20 0 DBADRM O=C([O-])C(=O)N1CCN(CC(=O)NCc2cccs2)CC1 ZINC000396752434 337242017 /nfs/dbraw/zinc/24/20/17/337242017.db2.gz VDSPXDPUNBHUKA-UHFFFAOYSA-N -1 0 311.363 -0.407 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cn1 ZINC000583147767 337246044 /nfs/dbraw/zinc/24/60/44/337246044.db2.gz RABMKGMKCIZAGN-APBUJDDRSA-N -1 0 318.376 -0.404 20 0 DBADRM Cn1nnc(CNS(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000398085507 337305739 /nfs/dbraw/zinc/30/57/39/337305739.db2.gz NPLQPRYQUHOEEG-UHFFFAOYSA-N -1 0 311.323 -0.684 20 0 DBADRM Cn1cc(C[C@@H]2CCN(C(=O)C(=O)NCCCC(=O)[O-])C2)cn1 ZINC000583322632 337315745 /nfs/dbraw/zinc/31/57/45/337315745.db2.gz RIEGLMWFRLZMKK-NSHDSACASA-N -1 0 322.365 -0.208 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)C[C@H]1C(=O)[O-] ZINC000584411631 337321325 /nfs/dbraw/zinc/32/13/25/337321325.db2.gz NTQQLPXWMXZDMS-PSASIEDQSA-N -1 0 319.321 -0.691 20 0 DBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000584421337 337324031 /nfs/dbraw/zinc/32/40/31/337324031.db2.gz MUKJOPFHGGGFMC-DJLDLDEBSA-N -1 0 309.340 -0.917 20 0 DBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000584421340 337324129 /nfs/dbraw/zinc/32/41/29/337324129.db2.gz MUKJOPFHGGGFMC-YIZRAAEISA-N -1 0 309.340 -0.917 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)CSCC(=O)[O-])O1 ZINC000583752622 337329533 /nfs/dbraw/zinc/32/95/33/337329533.db2.gz TUNXLIWQMDAICW-IUCAKERBSA-N -1 0 304.368 -0.444 20 0 DBADRM C[C@@H]1CCN(C(=O)N2CCS(=O)(=O)CC2)C[C@@H]1C(=O)[O-] ZINC000583812831 337337472 /nfs/dbraw/zinc/33/74/72/337337472.db2.gz WIHBLYMTJKZHJW-ZJUUUORDSA-N -1 0 304.368 -0.121 20 0 DBADRM Cn1cc([C@H]2CN(C(=O)CN3CC(=O)NC3=O)CC2(C)C)cn1 ZINC000584478905 337348182 /nfs/dbraw/zinc/34/81/82/337348182.db2.gz FUQSULBFVMXNNC-LLVKDONJSA-N -1 0 319.365 -0.076 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@H](C)O1 ZINC000035651596 337349490 /nfs/dbraw/zinc/34/94/90/337349490.db2.gz WMPMZDSSKNWSSS-DTORHVGOSA-N -1 0 303.340 -0.234 20 0 DBADRM CSCC[C@@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000584532744 337357355 /nfs/dbraw/zinc/35/73/55/337357355.db2.gz DWPVWBVRRMUIEV-HTQZYQBOSA-N -1 0 312.413 -0.411 20 0 DBADRM CC(=O)NCCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000036746357 337358366 /nfs/dbraw/zinc/35/83/66/337358366.db2.gz AMLKAIBNEOYXAB-UHFFFAOYSA-N -1 0 300.336 -0.272 20 0 DBADRM COc1ccccc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000036965413 337361463 /nfs/dbraw/zinc/36/14/63/337361463.db2.gz KVDBGPZQZBWXGV-ZETCQYMHSA-N -1 0 302.308 -0.698 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(C)CC(=O)[O-])C1 ZINC000036983844 337361734 /nfs/dbraw/zinc/36/17/34/337361734.db2.gz AVFBXRNNFZQONJ-VIFPVBQESA-N -1 0 308.356 -0.477 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](C)CC(=O)[O-])C1 ZINC000036983882 337361784 /nfs/dbraw/zinc/36/17/84/337361784.db2.gz SVSZXECNKJUBLJ-UWVGGRQHSA-N -1 0 322.383 -0.041 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C)CC(=O)[O-])C1 ZINC000036983881 337361800 /nfs/dbraw/zinc/36/18/00/337361800.db2.gz SVSZXECNKJUBLJ-VHSXEESVSA-N -1 0 322.383 -0.041 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCOC[C@@H]2C2CC2)cn1 ZINC000583869802 337362625 /nfs/dbraw/zinc/36/26/25/337362625.db2.gz JFGKHOVMTAGHDA-LLVKDONJSA-N -1 0 315.351 -0.233 20 0 DBADRM O=C([O-])[C@@H](CF)NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000583870021 337362695 /nfs/dbraw/zinc/36/26/95/337362695.db2.gz TXBKQEBNMAWBBQ-ZCFIWIBFSA-N -1 0 301.246 -0.151 20 0 DBADRM O=C([O-])[C@H](O)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000584564361 337363053 /nfs/dbraw/zinc/36/30/53/337363053.db2.gz MSVFVEHELFOBOY-GXSJLCMTSA-N -1 0 300.336 -0.072 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000037374763 337364869 /nfs/dbraw/zinc/36/48/69/337364869.db2.gz RHYWCPNXACGLGX-SSDOTTSWSA-N -1 0 308.262 -0.428 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@H]1CCC[C@H]1C(=O)[O-] ZINC000584574292 337365677 /nfs/dbraw/zinc/36/56/77/337365677.db2.gz CBVKGQTVYKDRRV-NXEZZACHSA-N -1 0 322.383 -0.183 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000571896229 337581364 /nfs/dbraw/zinc/58/13/64/337581364.db2.gz ZJJBYQGIVPCVBM-UWVGGRQHSA-N -1 0 317.367 -0.425 20 0 DBADRM COC[C@H](NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000571979942 337585014 /nfs/dbraw/zinc/58/50/14/337585014.db2.gz SYFOUXDUDQHHMB-GUBZILKMSA-N -1 0 322.383 -0.259 20 0 DBADRM COC[C@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)C(=O)[O-] ZINC000572224265 337598377 /nfs/dbraw/zinc/59/83/77/337598377.db2.gz ZIKVSAMYHXQMRE-QWRGUYRKSA-N -1 0 323.353 -0.156 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)OC ZINC000566242653 341551656 /nfs/dbraw/zinc/55/16/56/341551656.db2.gz OWCDKHQDUQWKFN-DCAQKATOSA-N -1 0 316.354 -0.667 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCc2ccn(C)n2)C[C@@H]1C(=O)[O-] ZINC000566243007 341551708 /nfs/dbraw/zinc/55/17/08/341551708.db2.gz QKWZBTBXXJLUGB-PWSUYJOCSA-N -1 0 322.365 -0.352 20 0 DBADRM CC(=O)N(C)CC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000566287774 341553124 /nfs/dbraw/zinc/55/31/24/341553124.db2.gz PEFGGCIPOYNCTI-JTQLQIEISA-N -1 0 309.326 -0.382 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2ncc(S(N)(=O)=O)s2)C1 ZINC000566298517 341553252 /nfs/dbraw/zinc/55/32/52/341553252.db2.gz UCSCHSLLFKMTOO-JTQLQIEISA-N -1 0 321.380 -0.282 20 0 DBADRM NC(=O)[C@H]1CC[C@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000566448701 341558360 /nfs/dbraw/zinc/55/83/60/341558360.db2.gz CBLPDYYJEXGWKY-VHSXEESVSA-N -1 0 302.294 -0.182 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000567166785 341583904 /nfs/dbraw/zinc/58/39/04/341583904.db2.gz OZNPPKSSXVILIF-QMMMGPOBSA-N -1 0 305.290 -0.330 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc[nH]c2=O)CCS1(=O)=O ZINC000567352169 341597939 /nfs/dbraw/zinc/59/79/39/341597939.db2.gz RIUMZKWHZINLBB-QMMMGPOBSA-N -1 0 300.292 -0.889 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000567612966 341620183 /nfs/dbraw/zinc/62/01/83/341620183.db2.gz GEKBFZYIRIEQJU-IUCAKERBSA-N -1 0 311.290 -0.008 20 0 DBADRM C[C@H](C(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-])c1ccccn1 ZINC000567662524 341625440 /nfs/dbraw/zinc/62/54/40/341625440.db2.gz HPUGYWFLEOITIC-WCBMZHEXSA-N -1 0 317.305 -0.022 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000567878075 341638229 /nfs/dbraw/zinc/63/82/29/341638229.db2.gz ZKTFZUNCHBTHDW-UHFFFAOYSA-N -1 0 306.384 -0.115 20 0 DBADRM CCC(=O)C[C@@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000568001819 341645072 /nfs/dbraw/zinc/64/50/72/341645072.db2.gz IXZXHMLWOJHUNM-IONNQARKSA-N -1 0 308.356 -0.795 20 0 DBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(Cc2nnn(CC(F)(F)F)n2)C1 ZINC000568067481 341649514 /nfs/dbraw/zinc/64/95/14/341649514.db2.gz WMSZHVJFFSLOOI-RNFRBKRXSA-N -1 0 309.248 -0.091 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)CC2(O)CCC2)C[C@H]1C(=O)[O-] ZINC000568391647 341669700 /nfs/dbraw/zinc/66/97/00/341669700.db2.gz IAJZHNWJIIJZRF-WDEREUQCSA-N -1 0 312.366 -0.071 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)O1 ZINC000573124145 341717742 /nfs/dbraw/zinc/71/77/42/341717742.db2.gz UGJLBPPLBRPXOX-VHSXEESVSA-N -1 0 324.337 -0.063 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCC2(C(=O)[O-])CC2)cn1C ZINC000573300935 341724229 /nfs/dbraw/zinc/72/42/29/341724229.db2.gz PDRXYXVCGJRYNJ-UHFFFAOYSA-N -1 0 316.335 -0.045 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000573370950 341726422 /nfs/dbraw/zinc/72/64/22/341726422.db2.gz QRTXILAOWXKPKU-DTWKUNHWSA-N -1 0 300.311 -0.575 20 0 DBADRM CO[C@@H]1CCN(C(=O)CN2CSCC2=O)[C@@H](C(=O)[O-])C1 ZINC000574220536 341752293 /nfs/dbraw/zinc/75/22/93/341752293.db2.gz LHRFKSMICFDTSE-RKDXNWHRSA-N -1 0 302.352 -0.390 20 0 DBADRM COCCN(C)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000574515858 341760922 /nfs/dbraw/zinc/76/09/22/341760922.db2.gz YGNCWZRTKPGPRK-UHFFFAOYSA-N -1 0 324.399 -0.235 20 0 DBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2cn(C)cn2)C1 ZINC000574635924 341764415 /nfs/dbraw/zinc/76/44/15/341764415.db2.gz XAKNCIQVRYZAFT-DTWKUNHWSA-N -1 0 303.340 -0.327 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)N1CC[C@@H](C)C1)C(=O)[O-] ZINC000574714779 341766767 /nfs/dbraw/zinc/76/67/67/341766767.db2.gz ZUIGTMJZMXTKKI-ZJUUUORDSA-N -1 0 322.383 -0.041 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)NCCNS(C)(=O)=O)C1CCC1 ZINC000574864856 341771202 /nfs/dbraw/zinc/77/12/02/341771202.db2.gz INVGKIJQLDGWBA-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cnn2c1OCCC2)C(=O)[O-] ZINC000574874279 341771448 /nfs/dbraw/zinc/77/14/48/341771448.db2.gz MTXQYZNETIXHTL-ZETCQYMHSA-N -1 0 305.312 -0.957 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)CNC(=O)C3CC3)C2)nn1 ZINC000575062313 341774574 /nfs/dbraw/zinc/77/45/74/341774574.db2.gz FVZUBIRUXGTXQI-JTQLQIEISA-N -1 0 321.337 -0.334 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000575321310 341792369 /nfs/dbraw/zinc/79/23/69/341792369.db2.gz WXOAEBYAMXXNRA-DTWKUNHWSA-N -1 0 322.383 -0.608 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCn2cccc2[C@H]1C(=O)[O-] ZINC000576512408 341850019 /nfs/dbraw/zinc/85/00/19/341850019.db2.gz UBFDICSBHFOXMK-NSHDSACASA-N -1 0 317.367 -0.248 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cn1 ZINC000576946823 341871261 /nfs/dbraw/zinc/87/12/61/341871261.db2.gz CXIDUAOSPLHDCT-VIFPVBQESA-N -1 0 301.324 -0.613 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)CCOC(F)(F)F ZINC000577113698 341886972 /nfs/dbraw/zinc/88/69/72/341886972.db2.gz YYPMNTFPLARJGV-ZCFIWIBFSA-N -1 0 309.262 -0.116 20 0 DBADRM CC(C)(NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-] ZINC000580635230 341889679 /nfs/dbraw/zinc/88/96/79/341889679.db2.gz YYVFKOLAUGTFHV-QMMMGPOBSA-N -1 0 303.340 -0.014 20 0 DBADRM CSC[C@](C)(O)CNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000577218990 341898011 /nfs/dbraw/zinc/89/80/11/341898011.db2.gz PSDNATZCSMLEIF-PSASIEDQSA-N -1 0 312.413 -0.516 20 0 DBADRM CS(=O)(=O)N1CC[C@H](N=c2[n-]c(C3CCOCC3)no2)C1 ZINC000577498331 341913062 /nfs/dbraw/zinc/91/30/62/341913062.db2.gz SXWBMDCPJYKLDM-JTQLQIEISA-N -1 0 316.383 -0.169 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)[C@H]1CCO[C@@H](C)C1)C(=O)[O-] ZINC000577639768 341926483 /nfs/dbraw/zinc/92/64/83/341926483.db2.gz SVTNSWYYIYMLHV-CIUDSAMLSA-N -1 0 309.340 -0.510 20 0 DBADRM O=C(CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)NC1CCOCC1 ZINC000577776169 341936282 /nfs/dbraw/zinc/93/62/82/341936282.db2.gz KQHOFJOXTCAYRJ-SNVBAGLBSA-N -1 0 309.370 -0.015 20 0 DBADRM CCC(=O)C[C@@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000577810470 341937655 /nfs/dbraw/zinc/93/76/55/341937655.db2.gz YDLBVARFJZAMJR-SECBINFHSA-N -1 0 306.340 -0.751 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)O1 ZINC000577850052 341943063 /nfs/dbraw/zinc/94/30/63/341943063.db2.gz UWOFODZGGWQQDA-XUTVFYLZSA-N -1 0 324.255 -0.259 20 0 DBADRM O=C([O-])CCN(C(=O)CN1CCCNC1=O)C1CCOCC1 ZINC000578001953 341967301 /nfs/dbraw/zinc/96/73/01/341967301.db2.gz POHPVYXCFFZVPL-UHFFFAOYSA-N -1 0 313.354 -0.116 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-][C@@H](C(=O)OC)c1ccn(C)n1 ZINC000345648613 522265278 /nfs/dbraw/zinc/26/52/78/522265278.db2.gz XVRWKBRZGFOXQJ-PSASIEDQSA-N -1 0 305.356 -0.412 20 0 DBADRM COC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000491539152 533973916 /nfs/dbraw/zinc/97/39/16/533973916.db2.gz DALHNVNGBDTRJE-VHSXEESVSA-N -1 0 320.367 -0.300 20 0 DBADRM COc1ccc(NC(=O)C(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000447636640 534042428 /nfs/dbraw/zinc/04/24/28/534042428.db2.gz MXOIZSVVLZARDB-UHFFFAOYSA-N -1 0 306.278 -0.331 20 0 DBADRM C/C=C/C[C@@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000263282364 518531828 /nfs/dbraw/zinc/53/18/28/518531828.db2.gz OSHNJMCSFCSDGE-VMZHVLLKSA-N -1 0 304.368 -0.052 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C/c1ccnn1C)[C@H](C)C(=O)[O-] ZINC000272598449 534418659 /nfs/dbraw/zinc/41/86/59/534418659.db2.gz DSBZIRVHRBRAET-ORAHPGNNSA-N -1 0 308.338 -0.129 20 0 DBADRM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000366320966 519521957 /nfs/dbraw/zinc/52/19/57/519521957.db2.gz VRVQYGMJHBANGJ-MNOVXSKESA-N -1 0 322.383 -0.858 20 0 DBADRM CC(=O)NCCN(C(=O)c1nccn2ccnc12)[C@H](C)C(=O)[O-] ZINC000262176323 519661526 /nfs/dbraw/zinc/66/15/26/519661526.db2.gz DWMYHETZXGCUEQ-SECBINFHSA-N -1 0 319.321 -0.219 20 0 DBADRM CC(C)CO[N-]C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000153491534 519759325 /nfs/dbraw/zinc/75/93/25/519759325.db2.gz SISYLJWEXYWNIS-UHFFFAOYSA-N -1 0 309.326 -0.863 20 0 DBADRM CC(C)OCCN1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000267677896 519766293 /nfs/dbraw/zinc/76/62/93/519766293.db2.gz WJBGCCKUSMCMDW-UHFFFAOYSA-N -1 0 324.381 -0.331 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cn(C)cn2)C1=O ZINC000343989047 519789619 /nfs/dbraw/zinc/78/96/19/519789619.db2.gz PHKAFOCLQZWXFQ-KOLCDFICSA-N -1 0 308.338 -0.140 20 0 DBADRM CC(C)[C@@H]1C[C@H]1NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000331914267 519806248 /nfs/dbraw/zinc/80/62/48/519806248.db2.gz DOHNSUJXONZMNA-IVZWLZJFSA-N -1 0 304.368 -0.076 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000262087829 520050468 /nfs/dbraw/zinc/05/04/68/520050468.db2.gz GHRDCDJXROTIKA-SECBINFHSA-N -1 0 308.356 -0.982 20 0 DBADRM CCO[C@H]1C[C@@H](NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000332432450 520546051 /nfs/dbraw/zinc/54/60/51/520546051.db2.gz HSKDAROCQAUESR-KXUCPTDWSA-N -1 0 320.367 -0.553 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cn(Cc2ccccc2)nn1 ZINC000447636445 534501563 /nfs/dbraw/zinc/50/15/63/534501563.db2.gz LIVXOZLOGIXSEE-UHFFFAOYSA-N -1 0 314.305 -0.025 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000507399951 534522955 /nfs/dbraw/zinc/52/29/55/534522955.db2.gz FPFNWIHJPQWQPH-WDEREUQCSA-N -1 0 323.349 -0.953 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000420551144 534535646 /nfs/dbraw/zinc/53/56/46/534535646.db2.gz HECRTFIPYABFEY-VHSXEESVSA-N -1 0 323.349 -0.811 20 0 DBADRM CCC[C@H](NC(=O)[C@H]1CC(=O)N(CCOC)C1)c1nnn[n-]1 ZINC000343736531 521140205 /nfs/dbraw/zinc/14/02/05/521140205.db2.gz VPDOQAUOXSJROU-UWVGGRQHSA-N -1 0 310.358 -0.348 20 0 DBADRM CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000061217260 521198710 /nfs/dbraw/zinc/19/87/10/521198710.db2.gz PRFBFDSROVTJGN-MRVPVSSYSA-N -1 0 317.367 -0.145 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000262351076 521568690 /nfs/dbraw/zinc/56/86/90/521568690.db2.gz BDJQKCBGERLNQS-SSDOTTSWSA-N -1 0 319.339 -0.072 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2n[nH]c(=O)[n-]2)C1 ZINC000331091852 521663216 /nfs/dbraw/zinc/66/32/16/521663216.db2.gz IQDRPDWBROBQGZ-MRVPVSSYSA-N -1 0 317.371 -0.812 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344091727 521741447 /nfs/dbraw/zinc/74/14/47/521741447.db2.gz DTPLCSRPOJOCDO-BDAKNGLRSA-N -1 0 310.358 -0.076 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cn1C ZINC000037418984 521787199 /nfs/dbraw/zinc/78/71/99/521787199.db2.gz NDUUBMVMQDELBL-VIFPVBQESA-N -1 0 315.351 -0.378 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)NCCC(C)(C)C(=O)[O-] ZINC000312219072 521953316 /nfs/dbraw/zinc/95/33/16/521953316.db2.gz DEMXGYQMHFBBIL-UHFFFAOYSA-N -1 0 309.388 -0.322 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000268956259 521956606 /nfs/dbraw/zinc/95/66/06/521956606.db2.gz VHGUBWGVSXKJEO-NQSFLYKLSA-N -1 0 323.349 -0.287 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CC2)co1 ZINC000263154517 521967698 /nfs/dbraw/zinc/96/76/98/521967698.db2.gz MSUTWVNCEGHYNP-UHFFFAOYSA-N -1 0 302.308 -0.123 20 0 DBADRM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1nn[nH]n1 ZINC000346337667 522001836 /nfs/dbraw/zinc/00/18/36/522001836.db2.gz AAOGBRFIAPMRAL-UHFFFAOYSA-N -1 0 302.341 -0.236 20 0 DBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)NCC(=O)[O-])c1 ZINC000261655989 522141293 /nfs/dbraw/zinc/14/12/93/522141293.db2.gz ILNLMMZCGUKPBQ-UHFFFAOYSA-N -1 0 303.292 -0.155 20 0 DBADRM COC[C@@H](CCO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000339515445 522294817 /nfs/dbraw/zinc/29/48/17/522294817.db2.gz QQMVWCZBNYLQEN-MRVPVSSYSA-N -1 0 308.294 -0.437 20 0 DBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC(=O)[O-] ZINC000263556917 522312650 /nfs/dbraw/zinc/31/26/50/522312650.db2.gz OXTCMKNTIDMFNW-UHFFFAOYSA-N -1 0 322.364 -0.700 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1ccnn1C ZINC000262150926 522435409 /nfs/dbraw/zinc/43/54/09/522435409.db2.gz JOHYYOCSXCJTJV-SNVBAGLBSA-N -1 0 308.338 -0.185 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000158449155 522723067 /nfs/dbraw/zinc/72/30/67/522723067.db2.gz GFARQASHCWZYND-BQBZGAKWSA-N -1 0 312.244 -0.387 20 0 DBADRM COCc1ccccc1CS(=O)(=O)[N-][C@@H](CO)C(=O)OC ZINC000344715925 523107431 /nfs/dbraw/zinc/10/74/31/523107431.db2.gz PMMJKOKSDVNDFK-LBPRGKRZSA-N -1 0 317.363 -0.214 20 0 DBADRM COC(=O)CN(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000344872671 523143630 /nfs/dbraw/zinc/14/36/30/523143630.db2.gz VIHZRGHMQRBBLS-UHFFFAOYSA-N -1 0 306.278 -0.011 20 0 DBADRM COCc1nc(=NC(=O)CCN2CCCS2(=O)=O)s[n-]1 ZINC000344135519 523166978 /nfs/dbraw/zinc/16/69/78/523166978.db2.gz GOJBAZNQHIJJMK-UHFFFAOYSA-N -1 0 320.396 -0.530 20 0 DBADRM COC(=O)Cc1cc(OC)ccc1S(=O)(=O)NCC(=O)[O-] ZINC000263165743 523366180 /nfs/dbraw/zinc/36/61/80/523366180.db2.gz FHXWJGPYSNWIGY-UHFFFAOYSA-N -1 0 317.319 -0.226 20 0 DBADRM COC(=O)Cn1ccc(=NC(=O)N=c2nc3ccccn3[n-]2)[nH]1 ZINC000347588192 523403963 /nfs/dbraw/zinc/40/39/63/523403963.db2.gz GQGQQHCHLJYYTN-UHFFFAOYSA-N -1 0 315.293 -0.413 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2nncs2)cn1 ZINC000339409804 523404730 /nfs/dbraw/zinc/40/47/30/523404730.db2.gz MIFYNQZCFTYDAR-UHFFFAOYSA-N -1 0 303.325 -0.292 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000262191832 523433656 /nfs/dbraw/zinc/43/36/56/523433656.db2.gz IAMGKDMHPFSLLP-SNVBAGLBSA-N -1 0 322.383 -0.688 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000262723217 523433686 /nfs/dbraw/zinc/43/36/86/523433686.db2.gz QUOWVXBFBHQGLM-VHSXEESVSA-N -1 0 322.383 -0.688 20 0 DBADRM CO[C@@H](CNC(=O)CCc1c(C)nc2ncnn2c1C)C(=O)[O-] ZINC000263116904 523514019 /nfs/dbraw/zinc/51/40/19/523514019.db2.gz QNBSYCOZEAWAEW-NSHDSACASA-N -1 0 321.337 -0.110 20 0 DBADRM COCCN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000262057600 523549441 /nfs/dbraw/zinc/54/94/41/523549441.db2.gz IVWGCUBMPNRIFM-HBNTYKKESA-N -1 0 319.379 -0.241 20 0 DBADRM CC[C@@H]1C[C@H]1CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000332185739 523580897 /nfs/dbraw/zinc/58/08/97/523580897.db2.gz XTVVHFXZOILDJY-UTLUCORTSA-N -1 0 304.368 -0.074 20 0 DBADRM COCCN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267715087 523630804 /nfs/dbraw/zinc/63/08/04/523630804.db2.gz WHLYAOODTZDJAX-UHFFFAOYSA-N -1 0 314.323 -0.297 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccn(C)n1 ZINC000345638797 523636437 /nfs/dbraw/zinc/63/64/37/523636437.db2.gz KHSYLHDHZYXEEQ-ONGXEEELSA-N -1 0 317.367 -0.267 20 0 DBADRM COCCN(CCOC)C(=O)N[C@@H](CC(=O)OC)C(=O)[O-] ZINC000071337971 523710317 /nfs/dbraw/zinc/71/03/17/523710317.db2.gz LNGPJJSHDPCRMP-VIFPVBQESA-N -1 0 306.315 -0.693 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCCO1)c1ccn(C)n1 ZINC000345638795 523929673 /nfs/dbraw/zinc/92/96/73/523929673.db2.gz KHSYLHDHZYXEEQ-MWLCHTKSSA-N -1 0 317.367 -0.267 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@@H]1C)c1ccn(C)n1 ZINC000345724579 523929845 /nfs/dbraw/zinc/92/98/45/523929845.db2.gz QYPLGHNAFKYQQJ-DVVUODLYSA-N -1 0 317.367 -0.269 20 0 DBADRM COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000352887373 523958277 /nfs/dbraw/zinc/95/82/77/523958277.db2.gz XPZHSOCCIAOUDS-JGVFFNPUSA-N -1 0 319.339 -0.834 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NCc2ccc(C(=O)[O-])o2)nn1 ZINC000262157213 524000680 /nfs/dbraw/zinc/00/06/80/524000680.db2.gz OOHULTPHYQUKQY-UHFFFAOYSA-N -1 0 321.293 -0.413 20 0 DBADRM COc1cccc([C@@H](O)CNC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000267961100 524103132 /nfs/dbraw/zinc/10/31/32/524103132.db2.gz LAIDUVLHJLTKCE-LBPRGKRZSA-N -1 0 319.317 -0.042 20 0 DBADRM C[C@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H](CO)O1 ZINC000347694033 524546996 /nfs/dbraw/zinc/54/69/96/524546996.db2.gz QGRVRVGYSXARPP-IONNQARKSA-N -1 0 320.305 -0.342 20 0 DBADRM C[C@H](NC(=O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1)C(=O)N(C)C ZINC000343761608 524952230 /nfs/dbraw/zinc/95/22/30/524952230.db2.gz DHVBDDVMUOPJAQ-VIFPVBQESA-N -1 0 324.385 -0.717 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2CSC(=O)N2)s1 ZINC000265781594 525228742 /nfs/dbraw/zinc/22/87/42/525228742.db2.gz GTFWGGCJFQKFCH-VKHMYHEASA-N -1 0 323.381 -0.327 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000343573725 525367087 /nfs/dbraw/zinc/36/70/87/525367087.db2.gz PAMMGMWXYCCGCI-MRVPVSSYSA-N -1 0 307.310 -0.029 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)[O-] ZINC000262349126 525769630 /nfs/dbraw/zinc/76/96/30/525769630.db2.gz DXMDTRGCFHEFIV-CYBMUJFWSA-N -1 0 305.294 -0.708 20 0 DBADRM C[C@H](O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000339249394 525777151 /nfs/dbraw/zinc/77/71/51/525777151.db2.gz TZRUBNAKIGFUMU-ZETCQYMHSA-N -1 0 308.306 -0.260 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)[C@H](C)C1 ZINC000331046717 525790150 /nfs/dbraw/zinc/79/01/50/525790150.db2.gz GQIBPCLWFDDNAV-RKDXNWHRSA-N -1 0 315.399 -0.484 20 0 DBADRM C[C@@H](Sc1n[nH]c(=O)[n-]1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000331176031 526000011 /nfs/dbraw/zinc/00/00/11/526000011.db2.gz PRTBIKKEASIBNQ-RQJHMYQMSA-N -1 0 320.396 -0.364 20 0 DBADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000054053794 526181340 /nfs/dbraw/zinc/18/13/40/526181340.db2.gz JUDYFAYAIQUOQK-SSDOTTSWSA-N -1 0 322.364 -0.572 20 0 DBADRM C[C@H](CC(=O)[O-])NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000270538738 526252537 /nfs/dbraw/zinc/25/25/37/526252537.db2.gz WVLNXAWGJHXUEE-BDAKNGLRSA-N -1 0 303.340 -0.014 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1c1ccccc1 ZINC000262851312 526284634 /nfs/dbraw/zinc/28/46/34/526284634.db2.gz HUKVZBWJNHLGHL-VXGBXAGGSA-N -1 0 301.306 0.000 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CCC2CCOCC2)CCS1(=O)=O ZINC000333546959 526285194 /nfs/dbraw/zinc/28/51/94/526285194.db2.gz IUDHVLLGLJUYOQ-NSHDSACASA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)CC2CCC2)CCS1(=O)=O ZINC000333617875 526285650 /nfs/dbraw/zinc/28/56/50/526285650.db2.gz SXYOEJXZGMACLY-VIFPVBQESA-N -1 0 311.381 -0.700 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)C2COC2)C[C@H]1C(F)(F)F ZINC000333258642 526286442 /nfs/dbraw/zinc/28/64/42/526286442.db2.gz IMHSGVADPFDGDH-RNFRBKRXSA-N -1 0 303.258 -0.090 20 0 DBADRM O=C([O-])[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C1CC1 ZINC000347423230 526308908 /nfs/dbraw/zinc/30/89/08/526308908.db2.gz OGBVKPISGYIPFD-GFCCVEGCSA-N -1 0 302.290 -0.229 20 0 DBADRM Cc1nn2c([n-]nc2SCCN2CCOC[C@@H]2C)nc1=O ZINC000347685053 526312711 /nfs/dbraw/zinc/31/27/11/526312711.db2.gz KEKHFSHFIFSTIF-QMMMGPOBSA-N -1 0 310.383 -0.066 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)CCC1CCOCC1 ZINC000333565230 526335229 /nfs/dbraw/zinc/33/52/29/526335229.db2.gz LOJVCPBGVLCIHS-SNVBAGLBSA-N -1 0 324.337 -0.014 20 0 DBADRM Cc1nc(C)n(C[C@H]2CN(C(=O)C3(C(=O)[O-])CC3)CCO2)n1 ZINC000262184684 526764346 /nfs/dbraw/zinc/76/43/46/526764346.db2.gz FYZJPSYLXQAMDA-LLVKDONJSA-N -1 0 308.338 -0.013 20 0 DBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000262667567 526887386 /nfs/dbraw/zinc/88/73/86/526887386.db2.gz WIDZEAFAQCYZTC-GHMZBOCLSA-N -1 0 319.317 -0.761 20 0 DBADRM NC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000346756010 526887829 /nfs/dbraw/zinc/88/78/29/526887829.db2.gz TUEGTDIVHXXCGW-UHFFFAOYSA-N -1 0 323.334 -0.574 20 0 DBADRM NC(=O)COCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000230956355 526891447 /nfs/dbraw/zinc/89/14/47/526891447.db2.gz UALGDZNLKMHRAD-UHFFFAOYSA-N -1 0 320.298 -0.696 20 0 DBADRM NC(=O)COc1cccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c1 ZINC000343559482 526894809 /nfs/dbraw/zinc/89/48/09/526894809.db2.gz UHORTEKEYIKDRP-UHFFFAOYSA-N -1 0 319.321 -0.263 20 0 DBADRM CC(C)(C)n1cc(C(=O)C(=O)NCCc2nc(=O)o[n-]2)cn1 ZINC000447633093 526912449 /nfs/dbraw/zinc/91/24/49/526912449.db2.gz UJTIMCXBQAMACK-UHFFFAOYSA-N -1 0 307.310 -0.144 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)NC2(c3nnn[n-]3)CCCC2)C1 ZINC000346338746 526917361 /nfs/dbraw/zinc/91/73/61/526917361.db2.gz BLGKOUHVQXMDAC-VIFPVBQESA-N -1 0 307.358 -0.124 20 0 DBADRM Cn1c2ccccc2n(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1=O ZINC000262407875 527111241 /nfs/dbraw/zinc/11/12/41/527111241.db2.gz NLWFPOJFMAYLIA-GFCCVEGCSA-N -1 0 319.317 -0.348 20 0 DBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ncnn1C ZINC000151022477 527116060 /nfs/dbraw/zinc/11/60/60/527116060.db2.gz BGAQZRMPPPNIRH-UHFFFAOYSA-N -1 0 301.310 -0.051 20 0 DBADRM Cn1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)nn1 ZINC000359464193 527274727 /nfs/dbraw/zinc/27/47/27/527274727.db2.gz BYVOOSWMDMUSKY-UHFFFAOYSA-N -1 0 317.352 -0.586 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC[C@H]2C(N)=O)cc1C(=O)[O-] ZINC000021504464 527284130 /nfs/dbraw/zinc/28/41/30/527284130.db2.gz VAZJVZDPWNPOGT-QMMMGPOBSA-N -1 0 301.324 -0.638 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2nc3ccccn3n2)cc1C(N)=O ZINC000163334309 527291366 /nfs/dbraw/zinc/29/13/66/527291366.db2.gz OFRQDPPEXFTDPJ-UHFFFAOYSA-N -1 0 320.334 -0.033 20 0 DBADRM O=C(Cn1cc([N-]S(=O)(=O)c2c[nH]cn2)cn1)NC1CC1 ZINC000070416454 527370197 /nfs/dbraw/zinc/37/01/97/527370197.db2.gz ZJMRAXRAFBUBNV-UHFFFAOYSA-N -1 0 310.339 -0.314 20 0 DBADRM O=C([O-])CCNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000262396219 527592894 /nfs/dbraw/zinc/59/28/94/527592894.db2.gz JINATQBSDASYCF-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)Cc1ccccc1F ZINC000274951944 527613184 /nfs/dbraw/zinc/61/31/84/527613184.db2.gz SUOCBGMZVXSNHY-UHFFFAOYSA-N -1 0 304.299 -0.554 20 0 DBADRM Cn1nnnc1SCCC(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000345506703 527658745 /nfs/dbraw/zinc/65/87/45/527658745.db2.gz RTBSRGUXWPXOTQ-UHFFFAOYSA-N -1 0 323.386 -0.209 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc(C(N)=O)c(F)c2)c1[O-] ZINC000445957830 528087628 /nfs/dbraw/zinc/08/76/28/528087628.db2.gz AHQSNOBMHXTORN-VIFPVBQESA-N -1 0 309.253 -0.088 20 0 DBADRM CCN(CC)S(=O)(=O)CCNC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000414630292 528207378 /nfs/dbraw/zinc/20/73/78/528207378.db2.gz PGKLOIOICGATJW-JTQLQIEISA-N -1 0 321.399 -0.226 20 0 DBADRM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)NC(C)(C)C ZINC000408063394 535252928 /nfs/dbraw/zinc/25/29/28/535252928.db2.gz QGHCHWXMLFPDAQ-NXEZZACHSA-N -1 0 315.395 -0.078 20 0 DBADRM CC[C@@H](CCNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000297177169 535739308 /nfs/dbraw/zinc/73/93/08/535739308.db2.gz KWNLFOTWVRYZDF-QMMMGPOBSA-N -1 0 317.367 -0.097 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000370738771 535975856 /nfs/dbraw/zinc/97/58/56/535975856.db2.gz IMXSZNZZKMKFNX-GDPRMGEGSA-N -1 0 310.358 -0.350 20 0 DBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)Cc1cc(C)on1)C(=O)OC ZINC000340859124 536312826 /nfs/dbraw/zinc/31/28/26/536312826.db2.gz CUESLCBFYGNUPM-SECBINFHSA-N -1 0 320.323 -0.493 20 0 DBADRM CN1C(=O)CN(NC(=O)CSc2n[n-]c(=S)s2)C1=O ZINC000272701008 536313479 /nfs/dbraw/zinc/31/34/79/536313479.db2.gz WDJIKUATOWBDIZ-UHFFFAOYSA-N -1 0 319.393 -0.156 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])cn1C ZINC000340538284 536575019 /nfs/dbraw/zinc/57/50/19/536575019.db2.gz WFWQOHZGGHUGOP-SSDOTTSWSA-N -1 0 304.324 -0.095 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000273946155 536691304 /nfs/dbraw/zinc/69/13/04/536691304.db2.gz MFARDBKBULKTMH-VIFPVBQESA-N -1 0 314.319 -0.219 20 0 DBADRM COC(=O)c1ccc(F)cc1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000275191606 536723781 /nfs/dbraw/zinc/72/37/81/536723781.db2.gz FQCOGLKWHLEGEH-QMMMGPOBSA-N -1 0 321.282 -0.664 20 0 DBADRM COCCS(=O)(=O)NC[C@@H](Cc1cccnc1)C(=O)[O-] ZINC000275268756 536754629 /nfs/dbraw/zinc/75/46/29/536754629.db2.gz MXPVFJQLMJQDDO-LLVKDONJSA-N -1 0 302.352 -0.109 20 0 DBADRM COC(=O)c1csc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000275050526 536853901 /nfs/dbraw/zinc/85/39/01/536853901.db2.gz ICSHGJWDJMNSSB-XRGYYRRGSA-N -1 0 323.348 -0.353 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)[N-]CC(F)(F)CO ZINC000341973699 536866436 /nfs/dbraw/zinc/86/64/36/536866436.db2.gz VTICJDYYNSJXMC-UHFFFAOYSA-N -1 0 316.307 -0.164 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1 ZINC000738138195 598859130 /nfs/dbraw/zinc/85/91/30/598859130.db2.gz FGPRTJACWDKOHO-JTQLQIEISA-N -1 0 323.334 -0.285 20 0 DBADRM O=C(Cn1cnnc1-c1nnn[n-]1)NCCc1ccc(F)cc1 ZINC000737988535 598876280 /nfs/dbraw/zinc/87/62/80/598876280.db2.gz LUIYQEBJCFAKDM-UHFFFAOYSA-N -1 0 316.300 -0.044 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCc2cccnc2)c1=O ZINC000736714383 598892111 /nfs/dbraw/zinc/89/21/11/598892111.db2.gz RHLAKDBMYPMNFF-UHFFFAOYSA-N -1 0 313.321 -0.152 20 0 DBADRM CC(=O)NC1CCC(NS(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000825863107 601258248 /nfs/dbraw/zinc/25/82/48/601258248.db2.gz HSPUYESAJDWMLD-UHFFFAOYSA-N -1 0 321.399 -0.325 20 0 DBADRM COC(=O)C[C@H]1CN(C(=S)NCCCC(=O)[O-])CCO1 ZINC000831147759 601367966 /nfs/dbraw/zinc/36/79/66/601367966.db2.gz JDPRRIHDRFQZOP-VIFPVBQESA-N -1 0 304.368 -0.010 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000830975848 601401165 /nfs/dbraw/zinc/40/11/65/601401165.db2.gz VOVFXESOCPPZQL-RXMQYKEDSA-N -1 0 322.364 -0.132 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)N(C)C ZINC000036133465 601399232 /nfs/dbraw/zinc/39/92/32/601399232.db2.gz AMSKPNGLOIUWQE-SSDOTTSWSA-N -1 0 303.340 -0.522 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2C[C@@H]3[C@H](C2)C3(C)C)n(C)c1=O ZINC000822601160 599053703 /nfs/dbraw/zinc/05/37/03/599053703.db2.gz UNGWVTYORBZYTB-OCAPTIKFSA-N -1 0 317.353 -0.644 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000831735416 601589853 /nfs/dbraw/zinc/58/98/53/601589853.db2.gz VGEKTFPRTFGZFL-WDEREUQCSA-N -1 0 324.399 -0.522 20 0 DBADRM CN(CCNC(=O)CCCN1C(=O)CN(C)C1=O)C(=O)[O-] ZINC000739688903 602298767 /nfs/dbraw/zinc/29/87/67/602298767.db2.gz QNXVQRWGTYMGLT-UHFFFAOYSA-N -1 0 300.315 -0.613 20 0 DBADRM CS(=O)(=O)NCCOC(=O)CC1CCN(C(=O)[O-])CC1 ZINC000739997300 602548785 /nfs/dbraw/zinc/54/87/85/602548785.db2.gz UQWJKYPPCXDAJW-UHFFFAOYSA-N -1 0 308.356 -0.141 20 0 DBADRM COCCCN(C(=O)[C@H](C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739810266 602463943 /nfs/dbraw/zinc/46/39/43/602463943.db2.gz JXBOOJAETLBBOV-UWVGGRQHSA-N -1 0 322.383 -0.305 20 0 DBADRM CC(C)CS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000735848861 599153800 /nfs/dbraw/zinc/15/38/00/599153800.db2.gz BIFBJPRUHLBGNU-UHFFFAOYSA-N -1 0 310.339 -0.023 20 0 DBADRM CCN(CC(=O)N1CCC(S(=O)(=O)NC)CC1)C(=O)[O-] ZINC000739389140 602758057 /nfs/dbraw/zinc/75/80/57/602758057.db2.gz GEDMUGWWWPPPJF-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739515114 602980090 /nfs/dbraw/zinc/98/00/90/602980090.db2.gz LRBHIUIIMXAWJP-IUCAKERBSA-N -1 0 307.372 -0.522 20 0 DBADRM CCC(C)(C)NC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739220024 603152429 /nfs/dbraw/zinc/15/24/29/603152429.db2.gz UDXFSPWQGIWEQP-IUCAKERBSA-N -1 0 302.327 -0.052 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739664987 603259605 /nfs/dbraw/zinc/25/96/05/603259605.db2.gz VMFKHANYARYZGD-UWVGGRQHSA-N -1 0 304.368 -0.121 20 0 DBADRM CCC[C@H](O)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739329716 603357918 /nfs/dbraw/zinc/35/79/18/603357918.db2.gz NSJUIYOWQXRGPI-NSHDSACASA-N -1 0 302.375 -0.258 20 0 DBADRM CN(CC(=O)[O-])CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000739631614 596907395 /nfs/dbraw/zinc/90/73/95/596907395.db2.gz OPKAFQPDWNAFJE-UHFFFAOYSA-N -1 0 301.324 -0.711 20 0 DBADRM CNC(=O)COC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000739738087 596957153 /nfs/dbraw/zinc/95/71/53/596957153.db2.gz BVDIDHAFFJJRNO-LLVKDONJSA-N -1 0 305.290 -0.005 20 0 DBADRM COC(=O)CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000739759643 596959344 /nfs/dbraw/zinc/95/93/44/596959344.db2.gz BDLDPGAWCCIZSN-LLVKDONJSA-N -1 0 305.290 -0.005 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000819473242 596960070 /nfs/dbraw/zinc/96/00/70/596960070.db2.gz HAFQDDUIICECHA-UHFFFAOYSA-N -1 0 304.266 -0.808 20 0 DBADRM CNC(=O)CCNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000739741539 596960565 /nfs/dbraw/zinc/96/05/65/596960565.db2.gz RJHLOBMUPRGBJN-GFCCVEGCSA-N -1 0 318.333 -0.042 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000261642877 596980607 /nfs/dbraw/zinc/98/06/07/596980607.db2.gz GQCVOPKHAJWMID-UHFFFAOYSA-N -1 0 311.323 -0.243 20 0 DBADRM CN(CCC(=O)[O-])C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000818423348 597006585 /nfs/dbraw/zinc/00/65/85/597006585.db2.gz PLLODJGDZKIVPE-UHFFFAOYSA-N -1 0 323.309 -0.772 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000739624635 597025777 /nfs/dbraw/zinc/02/57/77/597025777.db2.gz RYRLHKHUNMCXIS-UHFFFAOYSA-N -1 0 304.299 -0.353 20 0 DBADRM Cn1c2ccc(NC(=O)C(=O)NCC(=O)[O-])cc2n(C)c1=O ZINC000740277473 597043230 /nfs/dbraw/zinc/04/32/30/597043230.db2.gz AAWXOXUEOKOBNB-UHFFFAOYSA-N -1 0 306.278 -0.984 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000740483405 597044853 /nfs/dbraw/zinc/04/48/53/597044853.db2.gz ZSPIVNCCMDQRAB-UHFFFAOYSA-N -1 0 305.290 -0.047 20 0 DBADRM CCNC(=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])c(C)c1 ZINC000739460944 597045948 /nfs/dbraw/zinc/04/59/48/597045948.db2.gz RDHLUPKSLVZXQK-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)NCC(=O)[O-] ZINC000740092707 597046711 /nfs/dbraw/zinc/04/67/11/597046711.db2.gz AOZDVUUAZHVTIZ-UHFFFAOYSA-N -1 0 314.319 -0.462 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000740482769 597046715 /nfs/dbraw/zinc/04/67/15/597046715.db2.gz DRMAFCTXACXTDI-UHFFFAOYSA-N -1 0 303.278 -0.534 20 0 DBADRM COc1cc(NC(=O)C(=O)NCC(=O)[O-])ccc1NC(C)=O ZINC000739865065 597047112 /nfs/dbraw/zinc/04/71/12/597047112.db2.gz JPIDGPLEGFRIRC-UHFFFAOYSA-N -1 0 309.278 -0.207 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000128153380 597097350 /nfs/dbraw/zinc/09/73/50/597097350.db2.gz PFLHCMYBCMZYBM-UHFFFAOYSA-N -1 0 303.384 -0.916 20 0 DBADRM C[C@H]1CN(C(=O)CSCC(=O)[O-])C[C@@H]1N1CCOCC1 ZINC000739140890 597127152 /nfs/dbraw/zinc/12/71/52/597127152.db2.gz WFDKIMHUHYOKQN-QWRGUYRKSA-N -1 0 302.396 -0.017 20 0 DBADRM Cc1nc([C@@H]2CN(C(=O)CSCC(=O)[O-])CCO2)n[nH]1 ZINC000740205028 597127290 /nfs/dbraw/zinc/12/72/90/597127290.db2.gz UCLXLKLTEIEWAK-QMMMGPOBSA-N -1 0 300.340 -0.169 20 0 DBADRM CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1NCCC(=O)[O-] ZINC000818648327 597139987 /nfs/dbraw/zinc/13/99/87/597139987.db2.gz RKAXTFVMCGNKCG-UHFFFAOYSA-N -1 0 322.364 -0.376 20 0 DBADRM CN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000818402795 597142563 /nfs/dbraw/zinc/14/25/63/597142563.db2.gz VVMMMHNGHGEXBT-UHFFFAOYSA-N -1 0 314.319 -0.898 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CC[C@@H]2NC(=O)NC2=O)cc1 ZINC000819142309 597151262 /nfs/dbraw/zinc/15/12/62/597151262.db2.gz XAKBPTGRANRWLL-JTQLQIEISA-N -1 0 305.290 -0.011 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000819236530 597160882 /nfs/dbraw/zinc/16/08/82/597160882.db2.gz CNSIQHNEDZIQPU-SNVBAGLBSA-N -1 0 303.274 -0.094 20 0 DBADRM O=C([O-])CCNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000819499074 597180801 /nfs/dbraw/zinc/18/08/01/597180801.db2.gz ZIJRKXUXJNPRLK-UHFFFAOYSA-N -1 0 311.342 -0.189 20 0 DBADRM C[C@@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)C(=O)[O-] ZINC000738956132 597181337 /nfs/dbraw/zinc/18/13/37/597181337.db2.gz DTCVVFYNMFFMAZ-SECBINFHSA-N -1 0 318.337 -0.070 20 0 DBADRM C[C@@H](NC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1)C(=O)[O-] ZINC000738992293 597205088 /nfs/dbraw/zinc/20/50/88/597205088.db2.gz ZWGMJVWOKWHAQN-MRVPVSSYSA-N -1 0 322.321 -0.114 20 0 DBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1)C(=O)[O-] ZINC000817926165 597220190 /nfs/dbraw/zinc/22/01/90/597220190.db2.gz VQFKIHPPWQBLHA-GFCCVEGCSA-N -1 0 321.333 -0.122 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)C(=O)[O-] ZINC000818266635 597221411 /nfs/dbraw/zinc/22/14/11/597221411.db2.gz JOUGDGGTEIHFBY-SECBINFHSA-N -1 0 311.269 -0.158 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)NCCC(=O)[O-])cc1 ZINC000040537220 597226045 /nfs/dbraw/zinc/22/60/45/597226045.db2.gz XYQPQWAWACSKAW-UHFFFAOYSA-N -1 0 301.324 -0.392 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)NCCCCCC(=O)[O-])C1 ZINC000818645280 597236824 /nfs/dbraw/zinc/23/68/24/597236824.db2.gz HUVRETBKXUHEPM-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000738140069 597253368 /nfs/dbraw/zinc/25/33/68/597253368.db2.gz IFTJRPUVUMPDCG-UHFFFAOYSA-N -1 0 314.319 -0.381 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCCC(=O)[O-] ZINC000818645289 597293030 /nfs/dbraw/zinc/29/30/30/597293030.db2.gz IGFNOMSZBZIEOU-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM NS(=O)(=O)CCCS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000819124710 597295765 /nfs/dbraw/zinc/29/57/65/597295765.db2.gz HGMYLMDQZDKPMP-UHFFFAOYSA-N -1 0 321.376 -0.022 20 0 DBADRM C[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)C(=O)[O-] ZINC000738954077 597311278 /nfs/dbraw/zinc/31/12/78/597311278.db2.gz JNIYLKOUNLOHGW-KWQFWETISA-N -1 0 304.306 -0.304 20 0 DBADRM COC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H](C)C(=O)[O-] ZINC000818506940 597325312 /nfs/dbraw/zinc/32/53/12/597325312.db2.gz RZPWEVUWTUOKNR-QMMMGPOBSA-N -1 0 308.290 -0.070 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)NC2(C(=O)[O-])CCCCC2)C1=O ZINC000818475752 597335389 /nfs/dbraw/zinc/33/53/89/597335389.db2.gz RYKPZRVCTYANFR-UHFFFAOYSA-N -1 0 311.294 -0.689 20 0 DBADRM CCCn1nccc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000820330332 597343249 /nfs/dbraw/zinc/34/32/49/597343249.db2.gz TWDWBNUTTPCWAJ-VIFPVBQESA-N -1 0 310.310 -0.456 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccnn2CC2CC2)CCO1 ZINC000821478732 597343259 /nfs/dbraw/zinc/34/32/59/597343259.db2.gz CCCLKUPXSKAWSC-JTQLQIEISA-N -1 0 322.321 -0.456 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)C(=O)[O-] ZINC000820114209 597343771 /nfs/dbraw/zinc/34/37/71/597343771.db2.gz LDHBASNMUDBZOO-YFKPBYRVSA-N -1 0 308.216 -0.027 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818368570 597345544 /nfs/dbraw/zinc/34/55/44/597345544.db2.gz DYZKUMYNFIOJPG-UHFFFAOYSA-N -1 0 321.333 -0.153 20 0 DBADRM COC1(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CCOCC1 ZINC000820703120 597347814 /nfs/dbraw/zinc/34/78/14/597347814.db2.gz OPQTYAOWAOZMMU-SNVBAGLBSA-N -1 0 302.327 -0.323 20 0 DBADRM CCc1ncsc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000820498550 597349989 /nfs/dbraw/zinc/34/99/89/597349989.db2.gz NTNCGQMHVHNROM-QMMMGPOBSA-N -1 0 313.335 -0.044 20 0 DBADRM COC[C@H](O)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818533768 597353522 /nfs/dbraw/zinc/35/35/22/597353522.db2.gz QUHKLHKNJRHTRL-SNVBAGLBSA-N -1 0 310.306 -0.624 20 0 DBADRM Cc1c(C(=O)OCC(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000820940327 597354861 /nfs/dbraw/zinc/35/48/61/597354861.db2.gz KUEIXKOKMZXKFA-UHFFFAOYSA-N -1 0 307.262 -0.818 20 0 DBADRM CNC(=O)c1ccc(C(=O)OCc2cn(CC(=O)[O-])nn2)cn1 ZINC000820637354 597361094 /nfs/dbraw/zinc/36/10/94/597361094.db2.gz JPDGFRKVSLCUQO-UHFFFAOYSA-N -1 0 319.277 -0.526 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cn(Cc3ccccn3)nn2)CCO1 ZINC000819324837 597372023 /nfs/dbraw/zinc/37/20/23/597372023.db2.gz LTVKIIHKSXUBQX-GFCCVEGCSA-N -1 0 317.305 -0.353 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000820580220 597385321 /nfs/dbraw/zinc/38/53/21/597385321.db2.gz XCXYSBOZCIXXNX-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCNC(=O)c2ccco2)CCO1 ZINC000738499172 597415068 /nfs/dbraw/zinc/41/50/68/597415068.db2.gz AJYFKGXZGXQINC-SNVBAGLBSA-N -1 0 311.294 -0.496 20 0 DBADRM COCCn1nc(C(=O)N2CCCC[C@H]2C(=O)[O-])ccc1=O ZINC000314481977 597440821 /nfs/dbraw/zinc/44/08/21/597440821.db2.gz NRHONRUJFXICIJ-NSHDSACASA-N -1 0 309.322 -0.031 20 0 DBADRM COC(=O)c1nc2nc(C)cc(N3CCO[C@H](C(=O)[O-])C3)n2n1 ZINC000818528217 597441010 /nfs/dbraw/zinc/44/10/10/597441010.db2.gz PWQFPCPPHPYKRI-QMMMGPOBSA-N -1 0 321.293 -0.491 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCCOC[C@H]2CCOC2)CCO1 ZINC000819310583 597449583 /nfs/dbraw/zinc/44/95/83/597449583.db2.gz IFPPUEDPHUDAJC-VXGBXAGGSA-N -1 0 316.354 -0.075 20 0 DBADRM CN(CC(=O)N1CCCC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737976360 597457431 /nfs/dbraw/zinc/45/74/31/597457431.db2.gz YKMWFIOPYWWAQD-QWRGUYRKSA-N -1 0 318.395 -0.429 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000022157826 597458408 /nfs/dbraw/zinc/45/84/08/597458408.db2.gz QQDARAWJVSGGQD-SECBINFHSA-N -1 0 315.351 -0.248 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000817753101 597460316 /nfs/dbraw/zinc/46/03/16/597460316.db2.gz KZIUHSZOVNVBEX-SSDOTTSWSA-N -1 0 307.310 -0.067 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000820317132 597460982 /nfs/dbraw/zinc/46/09/82/597460982.db2.gz GHKODNINFGKUKZ-SECBINFHSA-N -1 0 308.356 -0.982 20 0 DBADRM C[C@H](C(=O)[O-])N(C)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000817772038 597477582 /nfs/dbraw/zinc/47/75/82/597477582.db2.gz FYNCCYPFAMLBGF-LLVKDONJSA-N -1 0 301.387 -0.382 20 0 DBADRM Cc1cc(NC(=O)NCC(=O)[O-])n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000818842197 597491134 /nfs/dbraw/zinc/49/11/34/597491134.db2.gz ZGQRORRCIKGEGF-MRVPVSSYSA-N -1 0 316.339 -0.243 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@]2(O)CCOC2)ccc1C(=O)[O-] ZINC000820997080 597491392 /nfs/dbraw/zinc/49/13/92/597491392.db2.gz RZOSMJZYOMQWCJ-OAHLLOKOSA-N -1 0 322.317 -0.101 20 0 DBADRM C[C@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)[O-] ZINC000820165413 597493409 /nfs/dbraw/zinc/49/34/09/597493409.db2.gz DHWGWSRDVUHRIH-ZETCQYMHSA-N -1 0 300.292 -0.500 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000819275812 597500267 /nfs/dbraw/zinc/50/02/67/597500267.db2.gz NGFZSLZYPNLGQC-QMMMGPOBSA-N -1 0 303.274 -0.237 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000261912778 597504184 /nfs/dbraw/zinc/50/41/84/597504184.db2.gz WQWVPYBRTLGORE-WDEREUQCSA-N -1 0 318.395 -0.019 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000818482403 597508046 /nfs/dbraw/zinc/50/80/46/597508046.db2.gz TZPJXQPSXCAJQO-LLVKDONJSA-N -1 0 312.370 -0.733 20 0 DBADRM CCN(CCCNC(=O)N1CC[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000818202642 597509540 /nfs/dbraw/zinc/50/95/40/597509540.db2.gz LVOJQBVIOAQFFC-JTQLQIEISA-N -1 0 321.399 -0.226 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000817914469 597510113 /nfs/dbraw/zinc/51/01/13/597510113.db2.gz KXNVWLZFNHJZAX-SECBINFHSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCCC(=O)[O-] ZINC000818113513 597512981 /nfs/dbraw/zinc/51/29/81/597512981.db2.gz PKBQZIPFWJUGRA-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000818023062 597516633 /nfs/dbraw/zinc/51/66/33/597516633.db2.gz SNZYUEIOSKAFIC-ZETCQYMHSA-N -1 0 314.319 -0.382 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)C(=O)[O-] ZINC000818017577 597518215 /nfs/dbraw/zinc/51/82/15/597518215.db2.gz CATZINDMONPNSM-ZETCQYMHSA-N -1 0 321.289 -0.430 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])ccc1-n1cnnn1 ZINC000818835399 597518691 /nfs/dbraw/zinc/51/86/91/597518691.db2.gz KOCNICYOOKKJJU-MRVPVSSYSA-N -1 0 318.293 -0.501 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C)C(=O)[O-] ZINC000818022713 597519192 /nfs/dbraw/zinc/51/91/92/597519192.db2.gz NFCLYFCHDAUGIJ-QMMMGPOBSA-N -1 0 307.306 -0.084 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc(Cn2cncn2)c1)C(=O)[O-] ZINC000818023169 597519703 /nfs/dbraw/zinc/51/97/03/597519703.db2.gz UCGLMMPTSFVISC-VIFPVBQESA-N -1 0 317.305 -0.146 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000818017788 597519848 /nfs/dbraw/zinc/51/98/48/597519848.db2.gz HSHWSCDDPSQMGG-ZETCQYMHSA-N -1 0 309.278 -0.922 20 0 DBADRM CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000818491074 597523697 /nfs/dbraw/zinc/52/36/97/597523697.db2.gz YFBSHFSPIBAOBT-JTQLQIEISA-N -1 0 319.317 -0.082 20 0 DBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000062132746 597532564 /nfs/dbraw/zinc/53/25/64/597532564.db2.gz ZOQSYLRCUGWKMN-MRVPVSSYSA-N -1 0 311.381 -0.700 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cn1C ZINC000062132654 597532907 /nfs/dbraw/zinc/53/29/07/597532907.db2.gz REBRATDHYKBWCA-QMMMGPOBSA-N -1 0 315.351 -0.520 20 0 DBADRM CC(=O)NCCN(CC(=O)N1CCO[C@H](C)C1)[C@H](C)C(=O)[O-] ZINC000819770534 597678250 /nfs/dbraw/zinc/67/82/50/597678250.db2.gz XHRIYCLCEPGONH-GHMZBOCLSA-N -1 0 315.370 -0.855 20 0 DBADRM CC(=O)NCCN(C(=O)c1cnc(N(C)C)cn1)[C@@H](C)C(=O)[O-] ZINC000819758319 597681679 /nfs/dbraw/zinc/68/16/79/597681679.db2.gz XFWZUFAHDXBLCP-VIFPVBQESA-N -1 0 323.353 -0.406 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000820672819 597686310 /nfs/dbraw/zinc/68/63/10/597686310.db2.gz ABRXOIXFJIZYIA-JGVFFNPUSA-N -1 0 303.315 -0.831 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1nc(C)no1)[C@H](C)C(=O)[O-] ZINC000262178411 597691363 /nfs/dbraw/zinc/69/13/63/597691363.db2.gz FAQVVKZDIKLNSI-MRVPVSSYSA-N -1 0 312.326 -0.252 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccn(C)c(=O)c1)[C@H](C)C(=O)[O-] ZINC000819758193 597691558 /nfs/dbraw/zinc/69/15/58/597691558.db2.gz OWQHYMNNVNMZPL-SECBINFHSA-N -1 0 309.322 -0.563 20 0 DBADRM CCn1cc(C(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cn1 ZINC000820511522 597692227 /nfs/dbraw/zinc/69/22/27/597692227.db2.gz YVKYCPGKMBHMIU-SECBINFHSA-N -1 0 324.337 -0.477 20 0 DBADRM CC(=O)NCCN(C(=O)CCN1CCOCC1)[C@H](C)C(=O)[O-] ZINC000819745766 597694938 /nfs/dbraw/zinc/69/49/38/597694938.db2.gz GSLLJATVKGGELC-LLVKDONJSA-N -1 0 315.370 -0.854 20 0 DBADRM CCn1nc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])ccc1=O ZINC000820517883 597697146 /nfs/dbraw/zinc/69/71/46/597697146.db2.gz UMUGSPYBOGZSAH-VIFPVBQESA-N -1 0 324.337 -0.685 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)NCCN2CCNC(=O)C2)C1 ZINC000821516581 597697794 /nfs/dbraw/zinc/69/77/94/597697794.db2.gz ROZLVJZQBWTOAU-NSHDSACASA-N -1 0 312.370 -0.686 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)NCCN1CCNC(=O)C1 ZINC000821538790 597701692 /nfs/dbraw/zinc/70/16/92/597701692.db2.gz PDJNFTPTJBHSRE-UHFFFAOYSA-N -1 0 320.349 -0.133 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)ccc1=O ZINC000821298359 597714734 /nfs/dbraw/zinc/71/47/34/597714734.db2.gz QRZQUHHCFGCNMX-UHFFFAOYSA-N -1 0 307.306 -0.353 20 0 DBADRM O=C([O-])[C@H]1CC(C(=O)NN2CN=NC2=O)=NN1c1ccccc1 ZINC000821483488 597717947 /nfs/dbraw/zinc/71/79/47/597717947.db2.gz FICVRYRAJRVKQK-SNVBAGLBSA-N -1 0 316.277 -0.227 20 0 DBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)NCCC(=O)[O-])C1=O ZINC000821304680 597728746 /nfs/dbraw/zinc/72/87/46/597728746.db2.gz BNMKHWLYEYUUEH-JTQLQIEISA-N -1 0 323.353 -0.315 20 0 DBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)NCCC(=O)[O-])C1=O ZINC000821304681 597728922 /nfs/dbraw/zinc/72/89/22/597728922.db2.gz BNMKHWLYEYUUEH-SNVBAGLBSA-N -1 0 323.353 -0.315 20 0 DBADRM CC(C)(C)c1noc(C[S@](=O)CC(=O)NCC(=O)[O-])n1 ZINC000819932494 597736380 /nfs/dbraw/zinc/73/63/80/597736380.db2.gz LVLYBVDRXRBGQD-HXUWFJFHSA-N -1 0 303.340 -0.183 20 0 DBADRM CNC(=O)c1cccc(C[S@@](=O)CC(=O)NCC(=O)[O-])c1 ZINC000820640642 597736770 /nfs/dbraw/zinc/73/67/70/597736770.db2.gz IHZAQMFIVNMEBY-OAQYLSRUSA-N -1 0 312.347 -0.504 20 0 DBADRM CS(=O)(=O)Cc1ccc(NCC(=O)NCC(=O)[O-])cc1F ZINC000820891086 597748367 /nfs/dbraw/zinc/74/83/67/597748367.db2.gz ZIDAFHKGJMEIQC-UHFFFAOYSA-N -1 0 318.326 -0.017 20 0 DBADRM COc1ccc(-n2nnnc2SCC(=O)NCC(=O)[O-])cc1 ZINC000820815181 597749478 /nfs/dbraw/zinc/74/94/78/597749478.db2.gz ZCBSCNJEAJKFJZ-UHFFFAOYSA-N -1 0 323.334 -0.036 20 0 DBADRM COC(=O)c1c(C)nc(=O)[nH]c1SCC(=O)NCC(=O)[O-] ZINC000820677681 597750890 /nfs/dbraw/zinc/75/08/90/597750890.db2.gz MDXDMHSNZRZTPF-UHFFFAOYSA-N -1 0 315.307 -0.430 20 0 DBADRM Cc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000821119764 597755841 /nfs/dbraw/zinc/75/58/41/597755841.db2.gz BTKLQKHYSZUSCL-OAHLLOKOSA-N -1 0 319.317 -0.037 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O ZINC000821529960 597757591 /nfs/dbraw/zinc/75/75/91/597757591.db2.gz SXIRRAFUTPCHHK-SNVBAGLBSA-N -1 0 322.292 -0.056 20 0 DBADRM Nn1c(SCC(=O)NCC(=O)[O-])nnc1[C@@H]1CCCCO1 ZINC000821368698 597757722 /nfs/dbraw/zinc/75/77/22/597757722.db2.gz HAWXWVMGTKRKBC-ZETCQYMHSA-N -1 0 315.355 -0.474 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])S(=O)(=O)Cc1ccccc1 ZINC000820562187 597760639 /nfs/dbraw/zinc/76/06/39/597760639.db2.gz ASTSRLHTTUCCEZ-UHFFFAOYSA-N -1 0 300.336 -0.351 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O ZINC000821529812 597763024 /nfs/dbraw/zinc/76/30/24/597763024.db2.gz MFSAFBGRQJVNPA-MRXNPFEDSA-N -1 0 316.313 -0.170 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(C(=O)Cc2ccccc2)CC1 ZINC000821530580 597769601 /nfs/dbraw/zinc/76/96/01/597769601.db2.gz KWFUMVSDRWGXIB-UHFFFAOYSA-N -1 0 319.361 -0.426 20 0 DBADRM COc1ccc(OC)c2c1CN(CC(=O)NCC(=O)[O-])C[C@H]2O ZINC000820849777 597770168 /nfs/dbraw/zinc/77/01/68/597770168.db2.gz UIFYEBUXGUKWBH-SNVBAGLBSA-N -1 0 324.333 -0.246 20 0 DBADRM C[C@@H]1CN(C[C@@H]2CCCN2CC(=O)NCC(=O)[O-])C[C@@H](C)O1 ZINC000820251779 597772738 /nfs/dbraw/zinc/77/27/38/597772738.db2.gz JHFUKKDDWKNGGH-UPJWGTAASA-N -1 0 313.398 -0.239 20 0 DBADRM CN(CCCCC(=O)[O-])CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000719342769 597792525 /nfs/dbraw/zinc/79/25/25/597792525.db2.gz FNDSYROEZXWGIO-SNVBAGLBSA-N -1 0 306.384 -0.524 20 0 DBADRM Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)NCC(=O)[O-])cn1 ZINC000821287486 597805539 /nfs/dbraw/zinc/80/55/39/597805539.db2.gz NWDTWTNDZJHUSL-NWDGAFQWSA-N -1 0 310.354 -0.491 20 0 DBADRM C[C@H](NCC(=O)NCC(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000820142265 597807283 /nfs/dbraw/zinc/80/72/83/597807283.db2.gz RZEFDEFEKCEGTN-QMMMGPOBSA-N -1 0 315.351 -0.815 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccccc1-n1cnnn1 ZINC000821533096 597823232 /nfs/dbraw/zinc/82/32/32/597823232.db2.gz XYZGCYPRHPNGKC-UHFFFAOYSA-N -1 0 305.250 -0.980 20 0 DBADRM C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)NCC(=O)[O-])CS2 ZINC000820214645 597828768 /nfs/dbraw/zinc/82/87/68/597828768.db2.gz AWLFVCIJANYOST-JVXZTZIISA-N -1 0 316.335 -0.816 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000821530955 597830541 /nfs/dbraw/zinc/83/05/41/597830541.db2.gz DRTSDWURMQRJCQ-SNVBAGLBSA-N -1 0 322.273 -0.480 20 0 DBADRM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820256887 597831091 /nfs/dbraw/zinc/83/10/91/597831091.db2.gz MMQORZDWESAHRX-ISVAXAHUSA-N -1 0 309.274 -0.041 20 0 DBADRM Cc1ccc2ncc(C(=O)OCC(=O)NCC(=O)[O-])c(=O)n2c1 ZINC000821107133 597832135 /nfs/dbraw/zinc/83/21/35/597832135.db2.gz JRODDUVRGROYQD-UHFFFAOYSA-N -1 0 319.273 -0.639 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cccnc1-n1cccn1 ZINC000821532360 597832182 /nfs/dbraw/zinc/83/21/82/597832182.db2.gz KHUFTNVXBZFAAN-UHFFFAOYSA-N -1 0 304.262 -0.375 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)C1CCN(c2cnccn2)CC1 ZINC000821530968 597832361 /nfs/dbraw/zinc/83/23/61/597832361.db2.gz DTKDWQIZKMLPAU-UHFFFAOYSA-N -1 0 322.321 -0.563 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000821531055 597835438 /nfs/dbraw/zinc/83/54/38/597835438.db2.gz CXMXQLUNKCIKCD-UHFFFAOYSA-N -1 0 307.262 -0.514 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)C[C@@H]1C(=O)Nc2ccccc21 ZINC000821531352 597838376 /nfs/dbraw/zinc/83/83/76/597838376.db2.gz HENDRXMGWCDKBA-VIFPVBQESA-N -1 0 306.274 -0.144 20 0 DBADRM COc1ccc2c(c1)OC[C@@H](C(=O)OCC(=O)NCC(=O)[O-])C2 ZINC000820853639 597838883 /nfs/dbraw/zinc/83/88/83/597838883.db2.gz OPQJQUAZBZDOIT-JTQLQIEISA-N -1 0 323.301 -0.010 20 0 DBADRM CS(=O)(=O)Cc1ccc(C(=O)OCC(=O)NCC(=O)[O-])o1 ZINC000820891087 597840463 /nfs/dbraw/zinc/84/04/63/597840463.db2.gz ZJCNNWOAKKITRX-UHFFFAOYSA-N -1 0 319.291 -0.818 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(=O)[O-])o1 ZINC000820894372 597843658 /nfs/dbraw/zinc/84/36/58/597843658.db2.gz MTIRXAYCFRLDRQ-UHFFFAOYSA-N -1 0 305.264 -0.959 20 0 DBADRM Cc1cc(-n2cncn2)ccc1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820949425 597845740 /nfs/dbraw/zinc/84/57/40/597845740.db2.gz ZOBOERFMBKOFHQ-UHFFFAOYSA-N -1 0 318.289 -0.067 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1coc(S(N)(=O)=O)c1 ZINC000820723430 598038261 /nfs/dbraw/zinc/03/82/61/598038261.db2.gz CFCCETNBNHSNGQ-UHFFFAOYSA-N -1 0 306.296 -0.900 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cn1 ZINC000821364100 598058127 /nfs/dbraw/zinc/05/81/27/598058127.db2.gz NAPICNSCRGPFMK-VIFPVBQESA-N -1 0 313.335 -0.192 20 0 DBADRM COCCN(CC(=O)[O-])CC(=O)N1CCOC[C@H]1C1CC1 ZINC000820723471 598076013 /nfs/dbraw/zinc/07/60/13/598076013.db2.gz HRSCQXXYBVBIPN-LBPRGKRZSA-N -1 0 300.355 -0.343 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000821525287 598094140 /nfs/dbraw/zinc/09/41/40/598094140.db2.gz IJNARLXRUINHNI-UHFFFAOYSA-N -1 0 317.305 -0.144 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)n1 ZINC000821310650 598114541 /nfs/dbraw/zinc/11/45/41/598114541.db2.gz KMFVWPXFASCJPX-UHFFFAOYSA-N -1 0 317.305 -0.303 20 0 DBADRM CN1CCN(c2ncc(CN3CCO[C@@H](C(=O)[O-])C3)cn2)CC1 ZINC000820626435 598125279 /nfs/dbraw/zinc/12/52/79/598125279.db2.gz OPMSLDOYEUNDHQ-CYBMUJFWSA-N -1 0 321.381 -0.486 20 0 DBADRM O=C([O-])c1cccc(C(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000821548182 598136614 /nfs/dbraw/zinc/13/66/14/598136614.db2.gz GQLKPYCOPGUBDY-ZDUSSCGKSA-N -1 0 308.334 -0.192 20 0 DBADRM O=C([O-])c1cccc(C(=O)NCCCN2CCNC(=O)C2)c1 ZINC000821557717 598153926 /nfs/dbraw/zinc/15/39/26/598153926.db2.gz XMSIQGNGTCIAQQ-UHFFFAOYSA-N -1 0 305.334 -0.064 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000820723494 598156359 /nfs/dbraw/zinc/15/63/59/598156359.db2.gz LFTJQGJAPVBMQD-UHFFFAOYSA-N -1 0 309.278 -0.414 20 0 DBADRM Cn1c2[nH]c(CN3CCC[C@@H]3C(=O)[O-])nc2c(=O)n(C)c1=O ZINC000821268786 598161950 /nfs/dbraw/zinc/16/19/50/598161950.db2.gz JFDAZYCCUVHTTD-SSDOTTSWSA-N -1 0 307.310 -0.991 20 0 DBADRM COCCN(C(=O)NCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000244017505 598169630 /nfs/dbraw/zinc/16/96/30/598169630.db2.gz SOMNNRGDOGHXLN-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccnc2Cl)CCO1 ZINC000821479240 598169797 /nfs/dbraw/zinc/16/97/97/598169797.db2.gz RXMFEKGHEJIPPE-MRVPVSSYSA-N -1 0 313.697 -0.015 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N[C@@H]1CCCNC1=O ZINC000821475563 598175169 /nfs/dbraw/zinc/17/51/69/598175169.db2.gz XSKWAANDKWAZKV-SNVBAGLBSA-N -1 0 305.290 -0.282 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@]1(O)CCOC1 ZINC000821415770 598175711 /nfs/dbraw/zinc/17/57/11/598175711.db2.gz YVMCWEOURNMCEL-CQSZACIVSA-N -1 0 308.290 -0.409 20 0 DBADRM COC(=O)CCN1CCN(C(=O)CSCC(=O)[O-])[C@H](C)C1 ZINC000820668017 598176044 /nfs/dbraw/zinc/17/60/44/598176044.db2.gz JGNNLYQBTLKMED-SNVBAGLBSA-N -1 0 318.395 -0.100 20 0 DBADRM CC(C)C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC000819972380 598195225 /nfs/dbraw/zinc/19/52/25/598195225.db2.gz GQAPDWZTIMKPPP-SECBINFHSA-N -1 0 315.351 -0.042 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC000832695529 600908166 /nfs/dbraw/zinc/90/81/66/600908166.db2.gz RLULPBXKEXYUSE-SNVBAGLBSA-N -1 0 301.324 -0.737 20 0 DBADRM O=C1[C@@H](n2cnc(-c3nnn[n-]3)n2)CCN1CC(F)(F)F ZINC000738297628 598614503 /nfs/dbraw/zinc/61/45/03/598614503.db2.gz SLBNKEXVOJQVCO-YFKPBYRVSA-N -1 0 302.220 -0.206 20 0 DBADRM CCc1nn(Cc2nncn2C)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736705886 598641933 /nfs/dbraw/zinc/64/19/33/598641933.db2.gz CFKKWGFBKXXMCN-UHFFFAOYSA-N -1 0 315.341 -0.275 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cccc(-c3nnn[n-]3)c2=O)CCO1 ZINC000736277635 598675712 /nfs/dbraw/zinc/67/57/12/598675712.db2.gz CKEKITBVXKCMSD-VIFPVBQESA-N -1 0 304.310 -0.724 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cccc(-c3nnn[n-]3)c2=O)CCO1 ZINC000736277633 598675990 /nfs/dbraw/zinc/67/59/90/598675990.db2.gz CKEKITBVXKCMSD-SECBINFHSA-N -1 0 304.310 -0.724 20 0 DBADRM CC[C@@H](C)[C@H](O)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736326640 598774084 /nfs/dbraw/zinc/77/40/84/598774084.db2.gz BZAMTHLPUDRLGI-HTQZYQBOSA-N -1 0 323.357 -0.917 20 0 DBADRM CCN(CC1CC1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736533640 598788303 /nfs/dbraw/zinc/78/83/03/598788303.db2.gz BTKZSVWWIBNMBH-UHFFFAOYSA-N -1 0 305.342 -0.500 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)OCC(F)(F)F ZINC000738094836 598804043 /nfs/dbraw/zinc/80/40/43/598804043.db2.gz MDHWRTQBAJRBMG-UHFFFAOYSA-N -1 0 306.208 -0.253 20 0 DBADRM CCC[C@@H](C)N(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736424340 598814276 /nfs/dbraw/zinc/81/42/76/598814276.db2.gz QKXNCPMCRBDFGX-MRVPVSSYSA-N -1 0 307.358 -0.111 20 0 DBADRM CCC[C@H](C)N(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736424342 598814288 /nfs/dbraw/zinc/81/42/88/598814288.db2.gz QKXNCPMCRBDFGX-QMMMGPOBSA-N -1 0 307.358 -0.111 20 0 DBADRM C[C@H]1CC[C@H](C)N(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000820684159 599359559 /nfs/dbraw/zinc/35/95/59/599359559.db2.gz MQEMXOKXLMBZRQ-IUCAKERBSA-N -1 0 319.369 -0.111 20 0 DBADRM C[C@@H]1CC[C@H](C)CN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820684158 599359792 /nfs/dbraw/zinc/35/97/92/599359792.db2.gz MQEMXOKXLMBZRQ-DTWKUNHWSA-N -1 0 319.369 -0.111 20 0 DBADRM CCc1nn(CCOCCO)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736707902 599369542 /nfs/dbraw/zinc/36/95/42/599369542.db2.gz WAVMBVTZDWZOTJ-UHFFFAOYSA-N -1 0 308.342 -0.443 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2C[C@H]3CCC[C@H]32)n(C)c1=O ZINC000737590481 599529531 /nfs/dbraw/zinc/52/95/31/599529531.db2.gz JHZAQBPCAGLIGV-HTQZYQBOSA-N -1 0 303.326 -0.747 20 0 DBADRM CC[C@H](COC)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736351868 599532291 /nfs/dbraw/zinc/53/22/91/599532291.db2.gz IFKVDEPGVFNBMK-SSDOTTSWSA-N -1 0 309.330 -0.899 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736206319 599708193 /nfs/dbraw/zinc/70/81/93/599708193.db2.gz DKUNPWQRLFYUNP-GMTAPVOTSA-N -1 0 318.395 -0.525 20 0 DBADRM NC(=O)CNC(=O)c1cccc(NC(=O)CCNC(=O)[O-])c1 ZINC000739162625 599721083 /nfs/dbraw/zinc/72/10/83/599721083.db2.gz FCMZVDSBKQVQKB-UHFFFAOYSA-N -1 0 308.294 -0.502 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062132657 599727523 /nfs/dbraw/zinc/72/75/23/599727523.db2.gz HCCRBSKPZWDOIH-VHSXEESVSA-N -1 0 320.367 -0.335 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000737223246 599728286 /nfs/dbraw/zinc/72/82/86/599728286.db2.gz ZGLBMUQHRZFZDJ-UHFFFAOYSA-N -1 0 321.399 -0.037 20 0 DBADRM C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(C[C@H](F)C(=O)[O-])C1=O ZINC000736743237 599731121 /nfs/dbraw/zinc/73/11/21/599731121.db2.gz YKJZVDFPEITHAQ-LKFCYVNXSA-N -1 0 323.280 -0.025 20 0 DBADRM COC(=O)N(C)CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000737631847 599731885 /nfs/dbraw/zinc/73/18/85/599731885.db2.gz RQZZDUFYUGIBLN-VIFPVBQESA-N -1 0 315.326 -0.734 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)CCCN(C)C(=O)[O-])CC1 ZINC000737541315 599731904 /nfs/dbraw/zinc/73/19/04/599731904.db2.gz XRXIXNPKDHNWNR-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000736326705 599732289 /nfs/dbraw/zinc/73/22/89/599732289.db2.gz VEDFKJXWNJGITA-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000737223124 599734492 /nfs/dbraw/zinc/73/44/92/599734492.db2.gz WIYIRNNPYXYDDW-UHFFFAOYSA-N -1 0 321.399 -0.037 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)CCNC(=O)[O-])cc1 ZINC000739189266 599740937 /nfs/dbraw/zinc/74/09/37/599740937.db2.gz MMDBDBSUMHMCJG-UHFFFAOYSA-N -1 0 301.324 -0.392 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCCn1c(=O)oc2ccccc21 ZINC000739244486 599743793 /nfs/dbraw/zinc/74/37/93/599743793.db2.gz TTWKWEANDTUSEO-VIFPVBQESA-N -1 0 308.290 -0.064 20 0 DBADRM Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](CO)C(=O)[O-] ZINC000036977324 599744219 /nfs/dbraw/zinc/74/42/19/599744219.db2.gz BABOQOAEZDSUPB-SNVBAGLBSA-N -1 0 301.320 -0.426 20 0 DBADRM CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000738176374 599744445 /nfs/dbraw/zinc/74/44/45/599744445.db2.gz WOGKINZFXWTVON-VIFPVBQESA-N -1 0 321.738 -0.081 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)CCSCC(=O)[O-] ZINC000737591021 599745105 /nfs/dbraw/zinc/74/51/05/599745105.db2.gz JVAFKZVISGOCST-QMMMGPOBSA-N -1 0 318.351 -0.916 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)CCCNC(=O)[O-])C1 ZINC000738157396 599746135 /nfs/dbraw/zinc/74/61/35/599746135.db2.gz JMJGWBUVCBHSIB-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC000738445251 599752661 /nfs/dbraw/zinc/75/26/61/599752661.db2.gz QWVACIVMHYZCIM-LURJTMIESA-N -1 0 320.348 -0.679 20 0 DBADRM CCOC(=O)CN1CCCN(C(=O)CCNC(=O)[O-])CC1 ZINC000737143205 599755446 /nfs/dbraw/zinc/75/54/46/599755446.db2.gz RVUICPVJYLCOIQ-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cc1nnnn1-c1ccccc1 ZINC000737618137 599757569 /nfs/dbraw/zinc/75/75/69/599757569.db2.gz NKQJNYHDZQCJJR-UHFFFAOYSA-N -1 0 305.294 -0.278 20 0 DBADRM CCOC[C@@H](O)CN1CCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000737161724 599760055 /nfs/dbraw/zinc/76/00/55/599760055.db2.gz JDUFZXVISZRVCU-LBPRGKRZSA-N -1 0 317.386 -0.424 20 0 DBADRM NC(=O)[C@H]1c2ccccc2CCN1CC(=O)NCCC(=O)[O-] ZINC000739159081 599764098 /nfs/dbraw/zinc/76/40/98/599764098.db2.gz GLPBDRKBVHMVJD-CQSZACIVSA-N -1 0 305.334 -0.338 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCc2nnc3n2CCC3)o1 ZINC000740177098 599769448 /nfs/dbraw/zinc/76/94/48/599769448.db2.gz BPRVWPCSQIOAFW-UHFFFAOYSA-N -1 0 312.307 -0.006 20 0 DBADRM CC[C@@](C)(NC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000736861868 599770558 /nfs/dbraw/zinc/77/05/58/599770558.db2.gz SLJGZNVMSVUUJX-LLVKDONJSA-N -1 0 318.355 -0.710 20 0 DBADRM C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736767001 599791868 /nfs/dbraw/zinc/79/18/68/599791868.db2.gz XZVFNXSSRTXBNP-KWQFWETISA-N -1 0 319.317 -0.036 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN(C)CCS(C)(=O)=O)C(=O)[O-] ZINC000736873832 599810276 /nfs/dbraw/zinc/81/02/76/599810276.db2.gz BNIWIBJSOZNYOI-MWLCHTKSSA-N -1 0 308.400 -0.422 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@H](C)N1CCOCC1 ZINC000736646631 599834285 /nfs/dbraw/zinc/83/42/85/599834285.db2.gz WMNVOTKTDJTGNM-SDDRHHMPSA-N -1 0 315.370 -0.409 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000736370761 599844982 /nfs/dbraw/zinc/84/49/82/599844982.db2.gz OZGJGZKKOOURJO-SNVBAGLBSA-N -1 0 321.399 -0.875 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCN(C(=O)C3CC3)CC2)nn1 ZINC000740251571 599856665 /nfs/dbraw/zinc/85/66/65/599856665.db2.gz HLYFGMYLSWCWKE-UHFFFAOYSA-N -1 0 307.310 -0.943 20 0 DBADRM C[C@H](OC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C(=O)[O-] ZINC000736694546 599860690 /nfs/dbraw/zinc/86/06/90/599860690.db2.gz XFDAZUOLTLAJHV-YFKPBYRVSA-N -1 0 310.266 -0.689 20 0 DBADRM C[C@@H](OC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C(=O)[O-] ZINC000736694545 599860823 /nfs/dbraw/zinc/86/08/23/599860823.db2.gz XFDAZUOLTLAJHV-RXMQYKEDSA-N -1 0 310.266 -0.689 20 0 DBADRM O=C([O-])CCc1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1 ZINC000739753293 599878582 /nfs/dbraw/zinc/87/85/82/599878582.db2.gz SLKVVTIRNSUUKN-UHFFFAOYSA-N -1 0 319.317 -0.399 20 0 DBADRM O=C([O-])CSCCNC(=O)NCCC(=O)N1CCOCC1 ZINC000389457441 599897695 /nfs/dbraw/zinc/89/76/95/599897695.db2.gz BIGLPXXFHDQECK-UHFFFAOYSA-N -1 0 319.383 -0.648 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)NCCSCC(=O)[O-] ZINC000389374608 599903481 /nfs/dbraw/zinc/90/34/81/599903481.db2.gz AHFMWYDNXJTNQB-UHFFFAOYSA-N -1 0 321.380 -0.780 20 0 DBADRM CC(C)(NC(=O)COCC(=O)NCc1cccnc1)C(=O)[O-] ZINC000736324415 599913261 /nfs/dbraw/zinc/91/32/61/599913261.db2.gz NBQIOAIKDZMDMZ-UHFFFAOYSA-N -1 0 309.322 -0.306 20 0 DBADRM CN(C)c1cc2c(nn1)CCN(CC(=O)NCCC(=O)[O-])C2 ZINC000737374857 599915166 /nfs/dbraw/zinc/91/51/66/599915166.db2.gz WYFQHLKBFMAOIB-UHFFFAOYSA-N -1 0 307.354 -0.508 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)COCC(=O)NCc2cccnc2)C1 ZINC000739322947 599915571 /nfs/dbraw/zinc/91/55/71/599915571.db2.gz XRLXELUGUSGUQP-LBPRGKRZSA-N -1 0 321.333 -0.353 20 0 DBADRM C[C@H](CNC(=O)COCC(=O)NCc1cccnc1)C(=O)[O-] ZINC000736595485 599916967 /nfs/dbraw/zinc/91/69/67/599916967.db2.gz ONWBTNGKVTZJAJ-SNVBAGLBSA-N -1 0 309.322 -0.449 20 0 DBADRM NC(=O)CCNC(=O)c1ccccc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000739158224 599917778 /nfs/dbraw/zinc/91/77/78/599917778.db2.gz VZEIODFQXSVQRV-ZJUUUORDSA-N -1 0 319.317 -0.049 20 0 DBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000739158393 599919389 /nfs/dbraw/zinc/91/93/89/599919389.db2.gz ZQVSLUPRKWYXKQ-QWRGUYRKSA-N -1 0 319.317 -0.049 20 0 DBADRM Cc1cc(C)n(C[C@@H]2CN([C@@H](C)C(=O)NCC(=O)[O-])CCO2)n1 ZINC000738371404 599919962 /nfs/dbraw/zinc/91/99/62/599919962.db2.gz XAIILTNUQCPKNS-STQMWFEESA-N -1 0 324.381 -0.210 20 0 DBADRM Cc1cnn(C[C@@H]2CN([C@@H](C)C(=O)NCC(=O)[O-])CCO2)c1 ZINC000738812887 599920628 /nfs/dbraw/zinc/92/06/28/599920628.db2.gz XIJFILYXBXQADJ-RYUDHWBXSA-N -1 0 310.354 -0.518 20 0 DBADRM Cc1cnn(C[C@H]2CN([C@H](C)C(=O)NCC(=O)[O-])CCO2)c1 ZINC000738812889 599920683 /nfs/dbraw/zinc/92/06/83/599920683.db2.gz XIJFILYXBXQADJ-VXGBXAGGSA-N -1 0 310.354 -0.518 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCN(C[C@H](C)O)CC1)C(=O)[O-] ZINC000736413857 599921274 /nfs/dbraw/zinc/92/12/74/599921274.db2.gz VOMLOMCVHYOEGM-STQMWFEESA-N -1 0 315.414 -0.400 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN(C)C[C@H]1CN(C)CCO1)C(=O)[O-] ZINC000736414694 599923989 /nfs/dbraw/zinc/92/39/89/599923989.db2.gz ZVNXIFXRGLWGAL-CHWSQXEVSA-N -1 0 315.414 -0.136 20 0 DBADRM Cc1cc(C)n(C[C@H]2CN(CC(=O)NCC(=O)[O-])CCO2)n1 ZINC000738371481 599924617 /nfs/dbraw/zinc/92/46/17/599924617.db2.gz XWORDGFKMIVCAJ-GFCCVEGCSA-N -1 0 310.354 -0.598 20 0 DBADRM Cn1cc(CN2CCN(CC(=O)NCCC(=O)[O-])CC2)cn1 ZINC000739035710 599925141 /nfs/dbraw/zinc/92/51/41/599925141.db2.gz YOJMOABNDWUCOR-UHFFFAOYSA-N -1 0 309.370 -0.871 20 0 DBADRM Cc1sc(=O)n(CC(=O)N2CCO[C@H](C(=O)[O-])C2)c1C ZINC000738398949 599938590 /nfs/dbraw/zinc/93/85/90/599938590.db2.gz YTJYCRZOQKTMMC-VIFPVBQESA-N -1 0 300.336 -0.161 20 0 DBADRM Cn1nc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c2ccccc2c1=O ZINC000738419698 599947272 /nfs/dbraw/zinc/94/72/72/599947272.db2.gz TUIJCXZSUCTFII-LLVKDONJSA-N -1 0 317.301 -0.141 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000737615688 599954839 /nfs/dbraw/zinc/95/48/39/599954839.db2.gz PBWBDBDOBXVQOS-AOOOYVTPSA-N -1 0 310.306 -0.545 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000737615692 599954940 /nfs/dbraw/zinc/95/49/40/599954940.db2.gz PBWBDBDOBXVQOS-NXEZZACHSA-N -1 0 310.306 -0.545 20 0 DBADRM Cn1cc(CN2CCN(Cn3cc(C(=O)[O-])nn3)CC2)cn1 ZINC000739035611 599954999 /nfs/dbraw/zinc/95/49/99/599954999.db2.gz XEZAOKUCXFVJTE-UHFFFAOYSA-N -1 0 305.342 -0.515 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Nc2cccnc2-n2cncn2)CCO1 ZINC000738548639 599956377 /nfs/dbraw/zinc/95/63/77/599956377.db2.gz YPSQSOCHSPINHU-SNVBAGLBSA-N -1 0 318.293 -0.020 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCN(CCO)CC1)C(=O)[O-] ZINC000033450240 599960213 /nfs/dbraw/zinc/96/02/13/599960213.db2.gz BJWFJLZTWQGUKQ-YPMHNXCESA-N -1 0 301.387 -0.788 20 0 DBADRM C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736211355 599973255 /nfs/dbraw/zinc/97/32/55/599973255.db2.gz KHJIHGLELUTWQQ-DTWKUNHWSA-N -1 0 301.343 -0.215 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCO[C@@H](C(=O)OC)C1)C(=O)[O-] ZINC000736883641 599974740 /nfs/dbraw/zinc/97/47/40/599974740.db2.gz KFFAOAWFYWJHOD-HOSYDEDBSA-N -1 0 316.354 -0.524 20 0 DBADRM COC(=O)CC1=C(C(=O)[O-])[C@@H](c2csnn2)NC(=S)N1 ZINC000737593024 599986163 /nfs/dbraw/zinc/98/61/63/599986163.db2.gz USVMNXGZFPNWLW-MRVPVSSYSA-N -1 0 314.348 -0.041 20 0 DBADRM CCCC1N=NC(=S)N1CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000737047224 599990914 /nfs/dbraw/zinc/99/09/14/599990914.db2.gz RZDMLIQNHPCPDH-MRVPVSSYSA-N -1 0 314.367 -0.169 20 0 DBADRM C[C@@H](OC(=O)CN1Cc2ccccc2C1=O)C(=O)NCC(=O)[O-] ZINC000736691413 599991543 /nfs/dbraw/zinc/99/15/43/599991543.db2.gz FUHCOKAAGNPJCI-SECBINFHSA-N -1 0 320.301 -0.225 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cncc(F)c1 ZINC000071241273 599994419 /nfs/dbraw/zinc/99/44/19/599994419.db2.gz GKZKJCKOXHALNH-SECBINFHSA-N -1 0 317.298 -0.816 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cncc(F)c1 ZINC000737577150 599994885 /nfs/dbraw/zinc/99/48/85/599994885.db2.gz VDLFFZHKIOIZIN-QMMMGPOBSA-N -1 0 306.271 -0.485 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccnc(-n2ccnc2)c1 ZINC000737612447 600009145 /nfs/dbraw/zinc/00/91/45/600009145.db2.gz JNHFKPZWHVUKFT-UHFFFAOYSA-N -1 0 318.289 -0.033 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC000737603707 600009595 /nfs/dbraw/zinc/00/95/95/600009595.db2.gz LOWJZVQJHPCPRQ-JTQLQIEISA-N -1 0 300.311 -0.669 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N(CC(=O)[O-])CC(=O)OC ZINC000736839922 600009862 /nfs/dbraw/zinc/00/98/62/600009862.db2.gz OAKNQJNCOWDQHN-MRVPVSSYSA-N -1 0 318.351 -0.616 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cc1nc2ccccc2c(=O)n1C ZINC000737618588 600012884 /nfs/dbraw/zinc/01/28/84/600012884.db2.gz RNSLUTKFOPYPQE-UHFFFAOYSA-N -1 0 319.317 -0.007 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)NCc1cccs1 ZINC000737616505 600013867 /nfs/dbraw/zinc/01/38/67/600013867.db2.gz XGNDXGGTUHMEQR-UHFFFAOYSA-N -1 0 300.336 -0.076 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000739574205 600018505 /nfs/dbraw/zinc/01/85/05/600018505.db2.gz TUNTZDLIIHNRLI-SNVBAGLBSA-N -1 0 304.368 -0.960 20 0 DBADRM CCN(CC)C(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000737079979 600030437 /nfs/dbraw/zinc/03/04/37/600030437.db2.gz QSCVPFBEUCOUGR-UHFFFAOYSA-N -1 0 307.310 -0.454 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCCN2CCOCC2)CCO1 ZINC000043706262 600032223 /nfs/dbraw/zinc/03/22/23/600032223.db2.gz CQVQINVFXJYBEV-NSHDSACASA-N -1 0 301.343 -0.796 20 0 DBADRM CC(C)(CNC(=O)N1CCO[C@H](C(=O)[O-])C1)N1CCOCC1 ZINC000736321373 600032342 /nfs/dbraw/zinc/03/23/42/600032342.db2.gz AENHDZBLGXMQTQ-NSHDSACASA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@H](CNC(=O)N1CCO[C@H](C(=O)[O-])C1)N1CCOCC1 ZINC000736595266 600034535 /nfs/dbraw/zinc/03/45/35/600034535.db2.gz KKTDLVAKWGATFJ-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@H](CC(=O)OCC(=O)NCC(=O)[O-])NC(=O)C1CCCC1 ZINC000736556696 600038027 /nfs/dbraw/zinc/03/80/27/600038027.db2.gz OPPYTYVUNGALBQ-SECBINFHSA-N -1 0 314.338 -0.185 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1nnnn1-c1ccccc1 ZINC000391280289 600042177 /nfs/dbraw/zinc/04/21/77/600042177.db2.gz KOOHCJUIKBBOKN-LLVKDONJSA-N -1 0 316.321 -0.563 20 0 DBADRM COc1ccccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738136544 600051851 /nfs/dbraw/zinc/05/18/51/600051851.db2.gz MFDTULGENSSMKN-LLVKDONJSA-N -1 0 308.290 -0.054 20 0 DBADRM NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000042477514 600058319 /nfs/dbraw/zinc/05/83/19/600058319.db2.gz RRIRXHAIBWDPMM-WDEREUQCSA-N -1 0 312.347 -0.287 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)c1cccc(C(=O)[O-])n1 ZINC000224729355 600071795 /nfs/dbraw/zinc/07/17/95/600071795.db2.gz QBVGCLCVWLFWFQ-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000737573023 600081823 /nfs/dbraw/zinc/08/18/23/600081823.db2.gz IIQOQVGFBQCAPV-IUCAKERBSA-N -1 0 309.340 -0.509 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])CC1 ZINC000061151946 600082839 /nfs/dbraw/zinc/08/28/39/600082839.db2.gz GYHPMCLASNOSDD-UHFFFAOYSA-N -1 0 322.383 -0.089 20 0 DBADRM CC(C)(CNC(=O)NCCCCC(=O)[O-])NS(C)(=O)=O ZINC000070201246 600085713 /nfs/dbraw/zinc/08/57/13/600085713.db2.gz DNFKOUSVKRTKSH-UHFFFAOYSA-N -1 0 309.388 -0.132 20 0 DBADRM NC(=O)c1ccc(-c2nnn(CC(=O)NCCC(=O)[O-])n2)cc1 ZINC000739177586 600092283 /nfs/dbraw/zinc/09/22/83/600092283.db2.gz OSDRZZXWSVRDQK-UHFFFAOYSA-N -1 0 318.293 -0.970 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000736138836 600105455 /nfs/dbraw/zinc/10/54/55/600105455.db2.gz MFXLZQRMLBCYCN-HTRCEHHLSA-N -1 0 304.324 -0.960 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000736138849 600105427 /nfs/dbraw/zinc/10/54/27/600105427.db2.gz MFXLZQRMLBCYCN-POYBYMJQSA-N -1 0 304.324 -0.960 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000739544507 600105848 /nfs/dbraw/zinc/10/58/48/600105848.db2.gz IZLMIAFJTBZLJH-NWDGAFQWSA-N -1 0 309.366 -0.526 20 0 DBADRM CC(C)CCOCCNC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000736431677 600138900 /nfs/dbraw/zinc/13/89/00/600138900.db2.gz CLZTUXSKASQEPY-NEPJUHHUSA-N -1 0 302.371 -0.315 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NC(=O)NCc1ccccc1 ZINC000739294264 600142376 /nfs/dbraw/zinc/14/23/76/600142376.db2.gz FITOZLCMQRQDLC-NEPJUHHUSA-N -1 0 321.333 -0.468 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 ZINC000736337909 600158878 /nfs/dbraw/zinc/15/88/78/600158878.db2.gz XRKZZEAMGQWVSK-UHFFFAOYSA-N -1 0 322.321 -0.114 20 0 DBADRM NC(=O)c1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)nc1 ZINC000739176621 600159417 /nfs/dbraw/zinc/15/94/17/600159417.db2.gz ISYIFXJLBQEWLO-QWRGUYRKSA-N -1 0 318.333 -0.450 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000739540062 600161112 /nfs/dbraw/zinc/16/11/12/600161112.db2.gz XZZCIZVOTUJTSC-DVVUODLYSA-N -1 0 323.301 -0.008 20 0 DBADRM Cc1ccnc(NC(=O)CN(C)CCC(=O)NCC(=O)[O-])c1 ZINC000738791824 600161211 /nfs/dbraw/zinc/16/12/11/600161211.db2.gz AXKDIOVTEUYYAD-UHFFFAOYSA-N -1 0 308.338 -0.149 20 0 DBADRM Cc1oc(CN(C)C(=O)CN2CC(=O)NC2=O)cc1C(=O)[O-] ZINC000738967934 600166312 /nfs/dbraw/zinc/16/63/12/600166312.db2.gz TYXQNOGYMXOPTP-UHFFFAOYSA-N -1 0 309.278 -0.204 20 0 DBADRM C[C@H](OC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000736684241 600170266 /nfs/dbraw/zinc/17/02/66/600170266.db2.gz KXIBFCTVJQKXEQ-AXTSPUMRSA-N -1 0 312.322 -0.637 20 0 DBADRM C[C@H](OC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000736684250 600170365 /nfs/dbraw/zinc/17/03/65/600170365.db2.gz KXIBFCTVJQKXEQ-SGIHWFKDSA-N -1 0 312.322 -0.637 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000737604953 600170517 /nfs/dbraw/zinc/17/05/17/600170517.db2.gz LWVGRSICMJATNS-MRVPVSSYSA-N -1 0 312.278 -0.516 20 0 DBADRM COC(=O)C1CCN(C(=O)COC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000737582781 600174296 /nfs/dbraw/zinc/17/42/96/600174296.db2.gz DDZQNCGVFFZTNE-ZJUUUORDSA-N -1 0 313.306 -0.338 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000737580265 600174336 /nfs/dbraw/zinc/17/43/36/600174336.db2.gz WJTZJLPRQDESOR-NXEZZACHSA-N -1 0 313.306 -0.338 20 0 DBADRM COC(=O)[C@H]1C[C@H]1C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000737580275 600174401 /nfs/dbraw/zinc/17/44/01/600174401.db2.gz WJTZJLPRQDESOR-VHSXEESVSA-N -1 0 313.306 -0.338 20 0 DBADRM COC(=O)CCc1nc(COC(=O)CN(C)C(=O)[O-])no1 ZINC000737606120 600189517 /nfs/dbraw/zinc/18/95/17/600189517.db2.gz VHUPQFCJUBAZIZ-UHFFFAOYSA-N -1 0 301.255 -0.172 20 0 DBADRM C[C@@H](CC(=O)[O-])S(=O)(=O)CC(=O)N(C)Cc1cnn(C)c1 ZINC000736549979 600193828 /nfs/dbraw/zinc/19/38/28/600193828.db2.gz MEUKGAAFHHJDLZ-VIFPVBQESA-N -1 0 317.367 -0.344 20 0 DBADRM C[C@H](NC(=O)COC(=O)CCCNC(=O)[O-])C(=O)N(C)C ZINC000736639262 600197310 /nfs/dbraw/zinc/19/73/10/600197310.db2.gz RMJXIRGHTCSTGD-QMMMGPOBSA-N -1 0 303.315 -0.830 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)CCCNC(=O)[O-])CC1 ZINC000736134816 600198450 /nfs/dbraw/zinc/19/84/50/600198450.db2.gz POZPWJSJFNSKMM-UHFFFAOYSA-N -1 0 315.326 -0.732 20 0 DBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)CCCNC(=O)[O-] ZINC000739153459 600199193 /nfs/dbraw/zinc/19/91/93/600199193.db2.gz MXUNSUIOOGSDNH-SECBINFHSA-N -1 0 315.326 -0.556 20 0 DBADRM O=C([O-])NCCC(=O)OCC(=O)NC(=O)NC1CCCC1 ZINC000739949121 600201836 /nfs/dbraw/zinc/20/18/36/600201836.db2.gz QSHWALJTSSESDO-UHFFFAOYSA-N -1 0 301.299 -0.044 20 0 DBADRM NC(=O)CNC(=O)c1cccc(OC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000739162599 600203537 /nfs/dbraw/zinc/20/35/37/600203537.db2.gz CMBONAAEYFYWBL-NXEZZACHSA-N -1 0 306.274 -0.472 20 0 DBADRM C[C@@H](OC(=O)CCNC(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC000736690362 600204124 /nfs/dbraw/zinc/20/41/24/600204124.db2.gz SJUIXQGMDSYKGF-MRVPVSSYSA-N -1 0 315.326 -0.687 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C ZINC000736639470 600210840 /nfs/dbraw/zinc/21/08/40/600210840.db2.gz SLFSIOJXXMCWAR-PSASIEDQSA-N -1 0 317.342 -0.585 20 0 DBADRM CN(CC(=O)N1CCNC(=O)C1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737388183 600215588 /nfs/dbraw/zinc/21/55/88/600215588.db2.gz FCVLMQMGOPMNHJ-CQSZACIVSA-N -1 0 305.334 -0.298 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)OCc2ccoc2C(=O)[O-])C1=O ZINC000737508671 600215597 /nfs/dbraw/zinc/21/55/97/600215597.db2.gz OZDSIRFVUCSQOD-UHFFFAOYSA-N -1 0 310.218 -0.558 20 0 DBADRM CCN1CCO[C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000165897920 600225372 /nfs/dbraw/zinc/22/53/72/600225372.db2.gz CUMSWKVUSMTMQO-SECBINFHSA-N -1 0 318.351 -0.023 20 0 DBADRM CNC(=O)c1ccc(C(=O)N[C@@H](CC(=O)OC)C(=O)[O-])cn1 ZINC000737544297 600242805 /nfs/dbraw/zinc/24/28/05/600242805.db2.gz FTRNJZFBMAWPLJ-VIFPVBQESA-N -1 0 309.278 -0.813 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CC(=O)OC)C(=O)[O-] ZINC000736840191 600243775 /nfs/dbraw/zinc/24/37/75/600243775.db2.gz UNFFGAILFYSNAC-JGVFFNPUSA-N -1 0 318.351 -0.570 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(-n2ccnc2)nn1 ZINC000737564427 600244727 /nfs/dbraw/zinc/24/47/27/600244727.db2.gz GXEXWXBYWUNEMS-VIFPVBQESA-N -1 0 319.277 -0.592 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(-n2ccnc2)nn1 ZINC000737564426 600244790 /nfs/dbraw/zinc/24/47/90/600244790.db2.gz GXEXWXBYWUNEMS-SECBINFHSA-N -1 0 319.277 -0.592 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)CC1CCCC1 ZINC000737562816 600245692 /nfs/dbraw/zinc/24/56/92/600245692.db2.gz BXOLGWBKSJLQDG-SNVBAGLBSA-N -1 0 314.338 -0.185 20 0 DBADRM Cn1cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])c(=O)n(C)c1=O ZINC000739024508 600250783 /nfs/dbraw/zinc/25/07/83/600250783.db2.gz BSHMJSCHVBNFJD-VIFPVBQESA-N -1 0 309.322 -0.447 20 0 DBADRM Cn1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)c(=O)n(C)c1=O ZINC000739024570 600250818 /nfs/dbraw/zinc/25/08/18/600250818.db2.gz DBEOPSPHIRISJB-NSHDSACASA-N -1 0 317.301 -0.360 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cnn2ccccc12 ZINC000318187271 600255398 /nfs/dbraw/zinc/25/53/98/600255398.db2.gz QMCIZGNRFJPTLS-NSHDSACASA-N -1 0 302.290 -0.250 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CCn1ccnc1 ZINC000739785166 600262870 /nfs/dbraw/zinc/26/28/70/600262870.db2.gz MSLMSASFDJRZGS-UHFFFAOYSA-N -1 0 310.354 -0.481 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)Cn1ccccc1=O ZINC000739786284 600263277 /nfs/dbraw/zinc/26/32/77/600263277.db2.gz OQYWPXIRXODAPD-UHFFFAOYSA-N -1 0 323.349 -0.906 20 0 DBADRM C[S@](=O)CCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000157866081 600263641 /nfs/dbraw/zinc/26/36/41/600263641.db2.gz NVSWFIUNFYPCPA-GOSISDBHSA-N -1 0 305.377 -0.030 20 0 DBADRM Cn1cc(CCC(=O)N(CCN2CCOCC2)CC(=O)[O-])cn1 ZINC000739028814 600263868 /nfs/dbraw/zinc/26/38/68/600263868.db2.gz NJPUCKHANINZPA-UHFFFAOYSA-N -1 0 324.381 -0.402 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)C1=COCCO1 ZINC000739785522 600264324 /nfs/dbraw/zinc/26/43/24/600264324.db2.gz OIJVVLPDEGWGSA-UHFFFAOYSA-N -1 0 300.311 -0.880 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C1=O ZINC000737505684 600265288 /nfs/dbraw/zinc/26/52/88/600265288.db2.gz GIVNMSSWGYGXCE-MRVPVSSYSA-N -1 0 323.305 -0.880 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737580464 600265556 /nfs/dbraw/zinc/26/55/56/600265556.db2.gz XODHIEITXDTDDP-GHMZBOCLSA-N -1 0 314.338 -0.959 20 0 DBADRM Cn1cc(/C=C\C(=O)N(CCN2CCOCC2)CC(=O)[O-])cn1 ZINC000739026818 600265866 /nfs/dbraw/zinc/26/58/66/600265866.db2.gz KDLZUSSXAQTOMY-IHWYPQMZSA-N -1 0 322.365 -0.321 20 0 DBADRM Cc1cccc(CNC(=O)CN2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000738708278 600286593 /nfs/dbraw/zinc/28/65/93/600286593.db2.gz MRKRFBPLSHXJQE-CYBMUJFWSA-N -1 0 319.361 -0.114 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000739635995 600286887 /nfs/dbraw/zinc/28/68/87/600286887.db2.gz XUPKGZAEZLQXBZ-SFYZADRCSA-N -1 0 323.271 -0.575 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCN(C(=O)c2ccccn2)CC1 ZINC000739805517 600288994 /nfs/dbraw/zinc/28/89/94/600288994.db2.gz HSROMGYHNWOCIO-UHFFFAOYSA-N -1 0 320.349 -0.570 20 0 DBADRM C[C@H](NC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1)C(=O)N(C)C ZINC000736642354 600293358 /nfs/dbraw/zinc/29/33/58/600293358.db2.gz ZDBGPLISCHBLCE-QWRGUYRKSA-N -1 0 311.382 -0.234 20 0 DBADRM CCOc1ncnc2c1CN(CCC(=O)NCC(=O)[O-])CC2 ZINC000737221684 600295202 /nfs/dbraw/zinc/29/52/02/600295202.db2.gz DADQHGNWXLNCGV-UHFFFAOYSA-N -1 0 308.338 -0.176 20 0 DBADRM Cc1nc([C@@H]2CN(CCC(=O)N(C)CC(=O)[O-])CCO2)no1 ZINC000738850303 600295837 /nfs/dbraw/zinc/29/58/37/600295837.db2.gz PGTGOGVVYAENAE-JTQLQIEISA-N -1 0 312.326 -0.316 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737350023 600299001 /nfs/dbraw/zinc/29/90/01/600299001.db2.gz LPQHYJCLBKYTRS-UHFFFAOYSA-N -1 0 311.269 -0.333 20 0 DBADRM O=C(CN1CCO[C@@H](C(=O)[O-])C1)NCC(=O)c1cccs1 ZINC000738465555 600299157 /nfs/dbraw/zinc/29/91/57/600299157.db2.gz YGPIUGPHWKCNLC-SNVBAGLBSA-N -1 0 312.347 -0.168 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCS(=O)CC1 ZINC000736206844 600299656 /nfs/dbraw/zinc/29/96/56/600299656.db2.gz YOLHHXSEUPNFRC-SNVBAGLBSA-N -1 0 302.396 -0.238 20 0 DBADRM C[C@H](O)CN1CCN(Cc2noc(CCCC(=O)[O-])n2)CC1 ZINC000736677705 600302877 /nfs/dbraw/zinc/30/28/77/600302877.db2.gz OJRAIGRBRKZGPI-NSHDSACASA-N -1 0 312.370 -0.025 20 0 DBADRM CN(CC(=O)NCCCN(C)S(C)(=O)=O)C(C)(C)C(=O)[O-] ZINC000737393612 600308718 /nfs/dbraw/zinc/30/87/18/600308718.db2.gz DGTYDTKZFNRJOZ-UHFFFAOYSA-N -1 0 323.415 -0.821 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737536810 600309712 /nfs/dbraw/zinc/30/97/12/600309712.db2.gz MKSMLHFDGWTQCO-UHFFFAOYSA-N -1 0 311.269 -0.333 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737536150 600310964 /nfs/dbraw/zinc/31/09/64/600310964.db2.gz FMSFFZKLUATZPF-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM O=C([O-])CNC(=O)CCN(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000739804268 600313047 /nfs/dbraw/zinc/31/30/47/600313047.db2.gz WGJAAEGDAZVRMJ-SNVBAGLBSA-N -1 0 304.368 -0.771 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1=O ZINC000737301305 600319993 /nfs/dbraw/zinc/31/99/93/600319993.db2.gz RFFFOXIWMOYDRM-JTQLQIEISA-N -1 0 323.305 -0.881 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)Cc1cc(C)on1)C(=O)[O-] ZINC000214195118 600320986 /nfs/dbraw/zinc/32/09/86/600320986.db2.gz RYTNUAVZFVWECP-MRVPVSSYSA-N -1 0 306.296 -0.581 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000738588359 600332773 /nfs/dbraw/zinc/33/27/73/600332773.db2.gz NAVMNLADBYFRGQ-UHFFFAOYSA-N -1 0 303.278 -0.203 20 0 DBADRM COCCOc1ncccc1NC(=O)C(=O)NCCC(=O)[O-] ZINC000737824837 600333361 /nfs/dbraw/zinc/33/33/61/600333361.db2.gz BLTDBXJURGUGJB-UHFFFAOYSA-N -1 0 311.294 -0.364 20 0 DBADRM COC(=O)COc1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1 ZINC000737627945 600333429 /nfs/dbraw/zinc/33/34/29/600333429.db2.gz MYUJFFUMMMBLST-UHFFFAOYSA-N -1 0 324.289 -0.232 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCCS(=O)(=O)CC1)C(=O)[O-] ZINC000736882173 600334354 /nfs/dbraw/zinc/33/43/54/600334354.db2.gz GRLKWXWSSGABDG-PWSUYJOCSA-N -1 0 320.411 -0.278 20 0 DBADRM CNC(=O)c1cccc(NC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000737553563 600336172 /nfs/dbraw/zinc/33/61/72/600336172.db2.gz ZHNLKXJPQYTFOS-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1 ZINC000070197623 600337478 /nfs/dbraw/zinc/33/74/78/600337478.db2.gz AZQRMMTWLGRHRL-UHFFFAOYSA-N -1 0 316.339 -0.731 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCC2(O)CCOCC2)c1 ZINC000739406528 600341673 /nfs/dbraw/zinc/34/16/73/600341673.db2.gz ILAUXTDBNOYMGB-UHFFFAOYSA-N -1 0 322.317 -0.019 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])ccc1C(N)=O ZINC000738410036 600343496 /nfs/dbraw/zinc/34/34/96/600343496.db2.gz BEIWLHBTHYYLKI-QMMMGPOBSA-N -1 0 307.306 -0.131 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)CN1CC(=O)NC1=O)c1ccccc1 ZINC000738562917 600359820 /nfs/dbraw/zinc/35/98/20/600359820.db2.gz DXCZVKJMZYAXFF-SNVBAGLBSA-N -1 0 305.290 -0.130 20 0 DBADRM O=C(CN1CC(=O)NC1=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000739273745 600364759 /nfs/dbraw/zinc/36/47/59/600364759.db2.gz MVTZKUYICZRYOO-UHFFFAOYSA-N -1 0 321.289 -0.568 20 0 DBADRM COc1cccc([C@H](O)C(=O)O[C@H](C)C(=O)NCC(=O)[O-])c1 ZINC000738092424 600367416 /nfs/dbraw/zinc/36/74/16/600367416.db2.gz POUHEVVHINWGKQ-PELKAZGASA-N -1 0 311.290 -0.139 20 0 DBADRM COc1cccc([C@@H](O)C(=O)O[C@H](C)C(=O)NCC(=O)[O-])c1 ZINC000738092458 600367443 /nfs/dbraw/zinc/36/74/43/600367443.db2.gz POUHEVVHINWGKQ-PRHODGIISA-N -1 0 311.290 -0.139 20 0 DBADRM C[C@@H](CN(C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000736576739 600367622 /nfs/dbraw/zinc/36/76/22/600367622.db2.gz HXKCPPIHNGWDPX-ZETCQYMHSA-N -1 0 309.326 -0.887 20 0 DBADRM C[C@H](CN(C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000736576738 600368227 /nfs/dbraw/zinc/36/82/27/600368227.db2.gz HXKCPPIHNGWDPX-SSDOTTSWSA-N -1 0 309.326 -0.887 20 0 DBADRM O=C(COC(=O)[C@H]1CNC(=O)N1)Nc1ccccc1C(=O)[O-] ZINC000738470304 600369651 /nfs/dbraw/zinc/36/96/51/600369651.db2.gz AQCRJPPKNVFMPM-SECBINFHSA-N -1 0 307.262 -0.452 20 0 DBADRM O=C(COC(=O)[C@@H]1CNC(=O)N1)NC1(C(=O)[O-])CCCCC1 ZINC000739321325 600369781 /nfs/dbraw/zinc/36/97/81/600369781.db2.gz PIFZFCIVLSABCO-QMMMGPOBSA-N -1 0 313.310 -0.885 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=S)NCCCC(=O)[O-])CCO1 ZINC000736149302 600379774 /nfs/dbraw/zinc/37/97/74/600379774.db2.gz XJWKGZDBVPTSBL-JTQLQIEISA-N -1 0 303.384 -0.437 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H](C)Sc1nncn1C ZINC000737768134 600385989 /nfs/dbraw/zinc/38/59/89/600385989.db2.gz ROFCSNWIJNROOC-MRVPVSSYSA-N -1 0 302.356 -0.145 20 0 DBADRM C[C@H](Oc1cccnc1)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000736707962 600393431 /nfs/dbraw/zinc/39/34/31/600393431.db2.gz HHAZHQDMYSZRTK-GXSJLCMTSA-N -1 0 307.306 -0.349 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cnn2ccc(C)nc12 ZINC000737578034 600413013 /nfs/dbraw/zinc/41/30/13/600413013.db2.gz XOCITEWXCCKVFN-SECBINFHSA-N -1 0 306.278 -0.216 20 0 DBADRM CCn1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cn1 ZINC000737300155 600414118 /nfs/dbraw/zinc/41/41/18/600414118.db2.gz XHPQKFJCNKCSEU-UHFFFAOYSA-N -1 0 310.354 -0.238 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CCSc1nnnn1C ZINC000737772077 600419462 /nfs/dbraw/zinc/41/94/62/600419462.db2.gz WKBRGMWVWSBPRB-UHFFFAOYSA-N -1 0 303.344 -0.748 20 0 DBADRM C[C@H]1CN(CC(=O)N2CCC(C(=O)[O-])CC2)CCS1(=O)=O ZINC000736810416 600433412 /nfs/dbraw/zinc/43/34/12/600433412.db2.gz UTNQROSBSXBVIK-JTQLQIEISA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)[C@H]1CCN(C)C1=O ZINC000736200869 600437703 /nfs/dbraw/zinc/43/77/03/600437703.db2.gz RQEKDOROCDMESV-PWSUYJOCSA-N -1 0 311.382 -0.139 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCCS(=O)(=O)CC2)o1 ZINC000236487107 600444177 /nfs/dbraw/zinc/44/41/77/600444177.db2.gz VMTFDEOOMOBVMW-UHFFFAOYSA-N -1 0 323.348 -0.213 20 0 DBADRM C[C@H](CNS(=O)(=O)CCCC(=O)[O-])CN1CCOCC1 ZINC000736604439 600452308 /nfs/dbraw/zinc/45/23/08/600452308.db2.gz QXJDJGWHZPCXPX-LLVKDONJSA-N -1 0 308.400 -0.261 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN(C)[C@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000736411401 600467370 /nfs/dbraw/zinc/46/73/70/600467370.db2.gz GQJSTJBJBKYAPB-GHMZBOCLSA-N -1 0 322.427 -0.033 20 0 DBADRM COC[C@H](O)CNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000737753458 600472070 /nfs/dbraw/zinc/47/20/70/600472070.db2.gz LUXFYGSPTGLNLW-LLVKDONJSA-N -1 0 310.306 -0.624 20 0 DBADRM CC(C)(CNC(=O)Cn1cnc(C(=O)[O-])n1)N1CCOCC1 ZINC000736320419 600473613 /nfs/dbraw/zinc/47/36/13/600473613.db2.gz RVWISYOCIOIOKV-UHFFFAOYSA-N -1 0 311.342 -0.797 20 0 DBADRM COC(=O)C1(NC(=O)Cn2cnc(C(=O)[O-])n2)CCCCC1 ZINC000737580785 600473648 /nfs/dbraw/zinc/47/36/48/600473648.db2.gz ORSJEYUSLYXDDV-UHFFFAOYSA-N -1 0 310.310 -0.032 20 0 DBADRM CS(=O)(=O)CCC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000738148810 600491294 /nfs/dbraw/zinc/49/12/94/600491294.db2.gz ABWMLYHXXYUCEY-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM Cn1nc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)ccc1=O ZINC000739057325 600492716 /nfs/dbraw/zinc/49/27/16/600492716.db2.gz LUGAXJYVQYRLNE-JTQLQIEISA-N -1 0 309.322 -0.124 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cccc2c1OCCO2 ZINC000321309119 600493625 /nfs/dbraw/zinc/49/36/25/600493625.db2.gz BBXJWGZEDMTPEZ-JTQLQIEISA-N -1 0 320.301 -0.127 20 0 DBADRM C[C@@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])n1cncn1 ZINC000736198502 600494024 /nfs/dbraw/zinc/49/40/24/600494024.db2.gz AHDUQBLYVOJXQA-NSHDSACASA-N -1 0 311.342 -0.916 20 0 DBADRM CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)CCCC(=O)[O-] ZINC000737349285 600497549 /nfs/dbraw/zinc/49/75/49/600497549.db2.gz YZKPDXJNTJXOJA-QMMMGPOBSA-N -1 0 310.397 -0.356 20 0 DBADRM C[C@H]([C@H](C)NS(=O)(=O)CCCC(=O)[O-])N1CCOCC1 ZINC000736665819 600498557 /nfs/dbraw/zinc/49/85/57/600498557.db2.gz ZJAQNRSOGGVBNZ-WDEREUQCSA-N -1 0 308.400 -0.120 20 0 DBADRM CCc1nc2n(n1)C[C@H](NS(=O)(=O)CCCC(=O)[O-])CC2 ZINC000737283704 600500642 /nfs/dbraw/zinc/50/06/42/600500642.db2.gz KTGOOSYPYFWIRA-SECBINFHSA-N -1 0 316.383 -0.061 20 0 DBADRM Cc1cc(C)n2nc(C(=O)Nc3n[nH]c(CC(=O)[O-])n3)nc2n1 ZINC000738377109 600534381 /nfs/dbraw/zinc/53/43/81/600534381.db2.gz PLPQHTKYZOOWRE-UHFFFAOYSA-N -1 0 316.281 -0.261 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N(C)CC(=O)NCc1cccs1 ZINC000736205911 600541100 /nfs/dbraw/zinc/54/11/00/600541100.db2.gz BJDAYECRHMXCPX-SECBINFHSA-N -1 0 313.379 -0.115 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)[O-])s2)C1=O ZINC000737508201 600551684 /nfs/dbraw/zinc/55/16/84/600551684.db2.gz ODMQVKSZRPPRBY-UHFFFAOYSA-N -1 0 311.275 -0.195 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2ncc(C(=O)[O-])s2)C1=O ZINC000737507554 600551779 /nfs/dbraw/zinc/55/17/79/600551779.db2.gz LRTZYUCETUSMLE-UHFFFAOYSA-N -1 0 312.263 -0.800 20 0 DBADRM C[C@H](NC(N)=O)C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000736661884 600554753 /nfs/dbraw/zinc/55/47/53/600554753.db2.gz JCVXPUDXJSKIKQ-YFKPBYRVSA-N -1 0 301.328 -0.059 20 0 DBADRM C[C@@H](CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)C1CC1)C(=O)[O-] ZINC000736562569 600554860 /nfs/dbraw/zinc/55/48/60/600554860.db2.gz PSDZKBNXSJBNAP-ZETCQYMHSA-N -1 0 311.294 -0.881 20 0 DBADRM CCOC(=O)N1CCN(Cn2nc(C(=O)[O-])ccc2=O)CC1 ZINC000737147596 600555501 /nfs/dbraw/zinc/55/55/01/600555501.db2.gz XPCCUDXDYWISGR-UHFFFAOYSA-N -1 0 310.310 -0.327 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000737608771 600555897 /nfs/dbraw/zinc/55/58/97/600555897.db2.gz MAVUZDKHCHASTE-UHFFFAOYSA-N -1 0 319.291 -0.617 20 0 DBADRM O=C([O-])C1CCN(C(=O)NCCC(=O)N2CCOCC2)CC1 ZINC000317072672 600559075 /nfs/dbraw/zinc/55/90/75/600559075.db2.gz TXFXKWOUTMNBHO-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1C(=O)[O-] ZINC000089015212 600575617 /nfs/dbraw/zinc/57/56/17/600575617.db2.gz OZBYXPYDOCSCOP-VIFPVBQESA-N -1 0 315.303 -0.013 20 0 DBADRM COc1ccc(S(=O)(=O)NCC(=O)N(C)C)cc1C(=O)[O-] ZINC000037225471 600576531 /nfs/dbraw/zinc/57/65/31/600576531.db2.gz FAISMPDRTOOUNM-UHFFFAOYSA-N -1 0 316.335 -0.240 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CNC(=O)C1)Cc1ccc(O)cc1 ZINC000740304670 600584229 /nfs/dbraw/zinc/58/42/29/600584229.db2.gz XENGUQOCXHUKSM-WDEREUQCSA-N -1 0 306.318 -0.112 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000228735175 600586628 /nfs/dbraw/zinc/58/66/28/600586628.db2.gz DFLMIDNSFKWZEI-SSDOTTSWSA-N -1 0 323.348 -0.215 20 0 DBADRM O=C([O-])[C@H](CNC(=O)Cn1cnnn1)Cc1ccc(O)cc1 ZINC000739358092 600587296 /nfs/dbraw/zinc/58/72/96/600587296.db2.gz JGWIQNIUTWJOJP-JTQLQIEISA-N -1 0 305.294 -0.562 20 0 DBADRM C[C@@H](CC(=O)[O-])SCC(=O)N(C)CC(=O)N1CCOCC1 ZINC000736550471 600592646 /nfs/dbraw/zinc/59/26/46/600592646.db2.gz FJMFNNRMPPXGDJ-JTQLQIEISA-N -1 0 318.395 -0.100 20 0 DBADRM CC(C)N(CCC(=O)[O-])C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000736461383 600597240 /nfs/dbraw/zinc/59/72/40/600597240.db2.gz SIAXELDYWOTIFB-WAYWQWQTSA-N -1 0 323.349 -0.191 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)NCCSCC(=O)[O-] ZINC000389436801 600600703 /nfs/dbraw/zinc/60/07/03/600600703.db2.gz DMHBCQCZMOLTHE-MRVPVSSYSA-N -1 0 310.397 -0.367 20 0 DBADRM Cn1cc([C@@H]2[C@H](C(=O)NCCC(=O)[O-])CCC(=O)N2C)cn1 ZINC000737506448 600613953 /nfs/dbraw/zinc/61/39/53/600613953.db2.gz BOVILJJDCYAEEJ-ZWNOBZJWSA-N -1 0 308.338 -0.080 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1nc2nccc(C)n2n1 ZINC000737796579 600621653 /nfs/dbraw/zinc/62/16/53/600621653.db2.gz BBHIQEZOHQRXII-UHFFFAOYSA-N -1 0 307.310 -0.004 20 0 DBADRM NC(=O)CN(CC(N)=O)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000739163433 600631153 /nfs/dbraw/zinc/63/11/53/600631153.db2.gz SAMYQAPGULBQMR-UHFFFAOYSA-N -1 0 307.306 -0.883 20 0 DBADRM COc1ccc(S(=O)(=O)NCC(=O)[O-])cc1C(=O)N(C)C ZINC000261651928 600632332 /nfs/dbraw/zinc/63/23/32/600632332.db2.gz HRKXGLOTCONCBA-UHFFFAOYSA-N -1 0 316.335 -0.240 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)CCSCC(=O)[O-])C1 ZINC000737553037 600635513 /nfs/dbraw/zinc/63/55/13/600635513.db2.gz QTFMDDUHMYANJQ-VIFPVBQESA-N -1 0 324.424 -0.266 20 0 DBADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CC(=O)NC1=O ZINC000740307051 600639414 /nfs/dbraw/zinc/63/94/14/600639414.db2.gz MGSXINFKLBRXIJ-NSHDSACASA-N -1 0 317.301 -0.424 20 0 DBADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN1CC(=O)NC1=O ZINC000740307049 600639662 /nfs/dbraw/zinc/63/96/62/600639662.db2.gz MGSXINFKLBRXIJ-LLVKDONJSA-N -1 0 317.301 -0.424 20 0 DBADRM COc1ccc([C@H](NC(=O)CN2CC(=O)NC2=O)C(=O)[O-])cc1 ZINC000737961641 600640802 /nfs/dbraw/zinc/64/08/02/600640802.db2.gz VUGLVOGZMOHOSR-LBPRGKRZSA-N -1 0 321.289 -0.511 20 0 DBADRM CC(C)(C)[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000736242506 600642112 /nfs/dbraw/zinc/64/21/12/600642112.db2.gz PCFBQWIKVRXBOJ-SECBINFHSA-N -1 0 321.399 -0.483 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)N(C)[C@@H](C)C1CC1 ZINC000737573030 600647234 /nfs/dbraw/zinc/64/72/34/600647234.db2.gz IIWWWYATCBZKGV-CBAPKCEASA-N -1 0 308.356 -0.433 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000037739588 600649361 /nfs/dbraw/zinc/64/93/61/600649361.db2.gz ZLEPEHPSXZHOFQ-UHFFFAOYSA-N -1 0 321.376 -0.363 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)NCCn2cncn2)cc1 ZINC000382011941 600649490 /nfs/dbraw/zinc/64/94/90/600649490.db2.gz LHZVDDPFTTVWIJ-UHFFFAOYSA-N -1 0 310.335 -0.116 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CN(C)Cc1nnc(C)n1C ZINC000737770287 600670330 /nfs/dbraw/zinc/67/03/30/600670330.db2.gz YXFHMSJLFPWIBH-UHFFFAOYSA-N -1 0 313.358 -0.885 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000091128407 600671039 /nfs/dbraw/zinc/67/10/39/600671039.db2.gz HNDDRAQIGCECRN-DTWKUNHWSA-N -1 0 307.393 -0.160 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C(N)=O ZINC000736155553 600681137 /nfs/dbraw/zinc/68/11/37/600681137.db2.gz IZEUNGBZTGUAIR-LBPRGKRZSA-N -1 0 321.333 -0.277 20 0 DBADRM Cc1c(C(=O)O[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)nnn1C ZINC000832853222 600689223 /nfs/dbraw/zinc/68/92/23/600689223.db2.gz GJCHKJZKNDVTHH-VIFPVBQESA-N -1 0 324.337 -0.008 20 0 DBADRM NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000021800234 600690708 /nfs/dbraw/zinc/69/07/08/600690708.db2.gz BJFXLADNQYWJTL-SSDOTTSWSA-N -1 0 301.324 -0.401 20 0 DBADRM COC(=O)C[C@@H]1CSCCN1Cn1cc(C(=O)[O-])nn1 ZINC000737589810 600702452 /nfs/dbraw/zinc/70/24/52/600702452.db2.gz DESPAHAFJHHNQK-MRVPVSSYSA-N -1 0 300.340 -0.086 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)[O-] ZINC000819023664 600704825 /nfs/dbraw/zinc/70/48/25/600704825.db2.gz VTFMEQBFIYAOSK-ZETCQYMHSA-N -1 0 319.339 -0.668 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCCCNC2=O)c[nH]1 ZINC000037028116 600706621 /nfs/dbraw/zinc/70/66/21/600706621.db2.gz DHMQNYQBHFFRCK-MRVPVSSYSA-N -1 0 301.324 -0.340 20 0 DBADRM COc1ccc(S(=O)(=O)NCCC(N)=O)cc1C(=O)[O-] ZINC000036747178 600710335 /nfs/dbraw/zinc/71/03/35/600710335.db2.gz VRCBAGBSHLTNQH-UHFFFAOYSA-N -1 0 302.308 -0.453 20 0 DBADRM C[C@@H](CN(C1CC1)S(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000827448740 600734795 /nfs/dbraw/zinc/73/47/95/600734795.db2.gz CXJJYALPKQCMNA-QMMMGPOBSA-N -1 0 313.397 -0.454 20 0 DBADRM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000831709495 600741098 /nfs/dbraw/zinc/74/10/98/600741098.db2.gz ATVFMNSYZHFTQL-SSDOTTSWSA-N -1 0 319.339 -0.776 20 0 DBADRM CN(CCO)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000737448957 600743845 /nfs/dbraw/zinc/74/38/45/600743845.db2.gz JXPLEZLPEIHAAF-UHFFFAOYSA-N -1 0 309.322 -0.114 20 0 DBADRM CCN1CCO[C@@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000165896111 600751147 /nfs/dbraw/zinc/75/11/47/600751147.db2.gz YKAUMPMNWGTZEU-VIFPVBQESA-N -1 0 317.367 -0.288 20 0 DBADRM Cn1cc(S(=O)(=O)NCCN2CCOCC2)cc1C(=O)[O-] ZINC000022149219 600764747 /nfs/dbraw/zinc/76/47/47/600764747.db2.gz QDKNOADCNGZYLZ-UHFFFAOYSA-N -1 0 317.367 -0.666 20 0 DBADRM CN([C@@H]1CCCN(C)C1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000053244768 600765905 /nfs/dbraw/zinc/76/59/05/600765905.db2.gz RAYDRHRRULQOLO-SNVBAGLBSA-N -1 0 316.383 -0.318 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000827767469 600780136 /nfs/dbraw/zinc/78/01/36/600780136.db2.gz AQIFTGADBFKZDU-ONGXEEELSA-N -1 0 314.363 -0.091 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)NC(C)(C)CC(=O)[O-])c2=O ZINC000739060533 600782208 /nfs/dbraw/zinc/78/22/08/600782208.db2.gz WKFMFTPMIYHIDV-UHFFFAOYSA-N -1 0 307.310 -0.501 20 0 DBADRM CN([C@H]1CCN(C)C1=O)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000830923659 600785710 /nfs/dbraw/zinc/78/57/10/600785710.db2.gz OSEGEXVPUNIUFY-VIFPVBQESA-N -1 0 315.351 -0.426 20 0 DBADRM Cn1nc2c(cc1=O)CN(S(=O)(=O)CCCC(=O)[O-])CC2 ZINC000833060899 600790959 /nfs/dbraw/zinc/79/09/59/600790959.db2.gz YIFXPTHGHTWEQX-UHFFFAOYSA-N -1 0 315.351 -0.667 20 0 DBADRM CC(C)(CCS(C)(=O)=O)NS(=O)(=O)CCCC(=O)[O-] ZINC000826546938 600792038 /nfs/dbraw/zinc/79/20/38/600792038.db2.gz CZZHDAMKCPKSLU-UHFFFAOYSA-N -1 0 315.413 -0.016 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])nn2)C1 ZINC000831024704 600813698 /nfs/dbraw/zinc/81/36/98/600813698.db2.gz JMXBZEPARMJSNW-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM Cn1ccc(N2CCC[C@@H](N3CCO[C@@H](C(=O)[O-])C3)C2=O)n1 ZINC000819072436 600824919 /nfs/dbraw/zinc/82/49/19/600824919.db2.gz SIKCSOFNPQCFIY-GHMZBOCLSA-N -1 0 308.338 -0.299 20 0 DBADRM CCn1nc2c(cc1=O)CN([C@@H](C)C(=O)NCC(=O)[O-])CC2 ZINC000830445806 600827283 /nfs/dbraw/zinc/82/72/83/600827283.db2.gz RKUDBNMGWZHDSI-VIFPVBQESA-N -1 0 308.338 -0.789 20 0 DBADRM CC(C)n1ccc(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC000827193085 600859495 /nfs/dbraw/zinc/85/94/95/600859495.db2.gz RQIIHULWISWXSE-NSHDSACASA-N -1 0 308.338 -0.192 20 0 DBADRM O=C([O-])CNC(=O)CN1CCn2c(nnc2-c2ccccc2)C1 ZINC000821531817 600862074 /nfs/dbraw/zinc/86/20/74/600862074.db2.gz YZRXMLUJNNLURU-UHFFFAOYSA-N -1 0 315.333 -0.039 20 0 DBADRM COc1ccc(NC(=O)c2cn(CC(N)=O)nn2)c(C(=O)[O-])c1 ZINC000832407636 600875719 /nfs/dbraw/zinc/87/57/19/600875719.db2.gz IMANCPPMDVRRKE-UHFFFAOYSA-N -1 0 319.277 -0.278 20 0 DBADRM CC[NH+]1CCN(CCC(=O)N[C@@H](CC(=O)OC)C(=O)[O-])CC1 ZINC000829776875 600877537 /nfs/dbraw/zinc/87/75/37/600877537.db2.gz XYPUTGFRRMKZLV-NSHDSACASA-N -1 0 315.370 -0.854 20 0 DBADRM COC(=O)C1C(=CC(=O)[O-])NC(=S)N[C@@H]1c1cn(C)nn1 ZINC000737579019 600885293 /nfs/dbraw/zinc/88/52/93/600885293.db2.gz GFSMLRRLNAOEBI-SECBINFHSA-N -1 0 311.323 -0.764 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc3n[nH]cc3c2)CCO1 ZINC000819214935 600886885 /nfs/dbraw/zinc/88/68/85/600886885.db2.gz QXJJWUCYMBYVEP-LLVKDONJSA-N -1 0 318.289 -0.187 20 0 DBADRM CN1C(=O)COc2ccc(NC(=O)C(=O)NCCC(=O)[O-])cc21 ZINC000818478197 600897317 /nfs/dbraw/zinc/89/73/17/600897317.db2.gz GBYCQJRVYOLFPR-UHFFFAOYSA-N -1 0 321.289 -0.429 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@H](C(=O)[O-])c1ccccn1 ZINC000832695527 600908236 /nfs/dbraw/zinc/90/82/36/600908236.db2.gz RLULPBXKEXYUSE-JTQLQIEISA-N -1 0 301.324 -0.737 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000829847349 600913123 /nfs/dbraw/zinc/91/31/23/600913123.db2.gz DMUBTVIQXZIHOI-UWVGGRQHSA-N -1 0 314.338 -0.246 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCCS1(=O)=O)c1ccccn1 ZINC000833107488 600916283 /nfs/dbraw/zinc/91/62/83/600916283.db2.gz VIDLMUIPAIELBA-LLVKDONJSA-N -1 0 313.335 -0.641 20 0 DBADRM NC(=O)Cn1cc(C(=O)OCc2cccc(C(=O)[O-])c2)nn1 ZINC000833084110 600945166 /nfs/dbraw/zinc/94/51/66/600945166.db2.gz VTQNYHYVYGRUHV-UHFFFAOYSA-N -1 0 304.262 -0.181 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)OCCN1C(=O)c2ccncc2C1=O ZINC000833180703 600961367 /nfs/dbraw/zinc/96/13/67/600961367.db2.gz GRPOTLLBSHARCN-DTWKUNHWSA-N -1 0 304.258 -0.059 20 0 DBADRM CN1CCO[C@H](C(=O)N(CCC(=O)[O-])C2CCOCC2)C1 ZINC000830960029 600977951 /nfs/dbraw/zinc/97/79/51/600977951.db2.gz DXLNXXDVGOOLFN-LBPRGKRZSA-N -1 0 300.355 -0.201 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)CN1CCOC1=S ZINC000833248029 600985150 /nfs/dbraw/zinc/98/51/50/600985150.db2.gz IPVQJDAPWQGBFZ-UHFFFAOYSA-N -1 0 303.384 -0.720 20 0 DBADRM CNC(=O)NC(=O)Cn1nnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000737542214 600987953 /nfs/dbraw/zinc/98/79/53/600987953.db2.gz AGYUEIXALXJWDX-UHFFFAOYSA-N -1 0 304.266 -0.506 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000088768353 600991638 /nfs/dbraw/zinc/99/16/38/600991638.db2.gz PNOPSLIMUGLMTE-VIFPVBQESA-N -1 0 307.372 -0.810 20 0 DBADRM C[C@@H](NC(=O)CN1CCSC[C@@H]1CC(=O)[O-])C(=O)N(C)C ZINC000827631166 601020463 /nfs/dbraw/zinc/02/04/63/601020463.db2.gz ZAHMJMLNUJNCPV-ZJUUUORDSA-N -1 0 317.411 -0.529 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000736380187 601030595 /nfs/dbraw/zinc/03/05/95/601030595.db2.gz FXQFZLIHBMEKLA-SECBINFHSA-N -1 0 312.330 -0.403 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000737542936 601035281 /nfs/dbraw/zinc/03/52/81/601035281.db2.gz LTEBDYDJMPNNSX-UHFFFAOYSA-N -1 0 303.278 -0.025 20 0 DBADRM Cc1ncc(Cl)c(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC000738885378 601054930 /nfs/dbraw/zinc/05/49/30/601054930.db2.gz MJGRXNWFBUFUJZ-QMMMGPOBSA-N -1 0 312.713 -0.146 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000827460771 601060567 /nfs/dbraw/zinc/06/05/67/601060567.db2.gz BEHZVWVPGAMSEB-JTQLQIEISA-N -1 0 311.342 -0.190 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC000831115192 601067920 /nfs/dbraw/zinc/06/79/20/601067920.db2.gz UOGAKJRZFSWRQK-MRVPVSSYSA-N -1 0 312.282 -0.627 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CSCC(N)=O)CC1 ZINC000827361565 601086661 /nfs/dbraw/zinc/08/66/61/601086661.db2.gz BUDUXFNILYHMDY-VIFPVBQESA-N -1 0 303.384 -0.788 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2nccnc2C(N)=O)CC1 ZINC000827381055 601087547 /nfs/dbraw/zinc/08/75/47/601087547.db2.gz XTHBLEJXMBRSQC-VIFPVBQESA-N -1 0 321.337 -0.804 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC000827354727 601094744 /nfs/dbraw/zinc/09/47/44/601094744.db2.gz GXYPMLFEAZLVMR-ZJUUUORDSA-N -1 0 306.384 -0.573 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)nn1 ZINC000739159882 601116062 /nfs/dbraw/zinc/11/60/62/601116062.db2.gz AOYXGQORCMRHQG-SSDOTTSWSA-N -1 0 323.334 -0.229 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)nn1 ZINC000739159970 601116108 /nfs/dbraw/zinc/11/61/08/601116108.db2.gz DGZPGMFZSXRWBQ-JTQLQIEISA-N -1 0 317.305 -0.291 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000826001200 601117981 /nfs/dbraw/zinc/11/79/81/601117981.db2.gz TYJWFRPYRAJEGF-VHSXEESVSA-N -1 0 316.354 -0.382 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000736208784 601118673 /nfs/dbraw/zinc/11/86/73/601118673.db2.gz NVSMBEVHDFWJRJ-IUCAKERBSA-N -1 0 323.353 -0.723 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)c1nonc1N)C(=O)[O-] ZINC000826794178 601121634 /nfs/dbraw/zinc/12/16/34/601121634.db2.gz VULOXMKJRLQBFL-ZCFIWIBFSA-N -1 0 300.271 -0.576 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCS(C)(=O)=O)CC1 ZINC000827362238 601121733 /nfs/dbraw/zinc/12/17/33/601121733.db2.gz LJEAKCJLDHMMIW-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)c1nonc1N)C(=O)[O-] ZINC000828727099 601122080 /nfs/dbraw/zinc/12/20/80/601122080.db2.gz AEQRIQCOCVTKIV-CAHLUQPWSA-N -1 0 300.271 -0.576 20 0 DBADRM CC(C)n1nccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000817998492 601163915 /nfs/dbraw/zinc/16/39/15/601163915.db2.gz HMZXJFRBCVKEPV-SECBINFHSA-N -1 0 310.310 -0.286 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)C(=O)Nc2ccn(C)n2)CC1 ZINC000827354029 601171720 /nfs/dbraw/zinc/17/17/20/601171720.db2.gz ASYCZYVOJNBMPQ-SNVBAGLBSA-N -1 0 323.353 -0.634 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N2CC[C@@H](O)C2)c1 ZINC000833261264 601175513 /nfs/dbraw/zinc/17/55/13/601175513.db2.gz LGIVKFJHPBDVAM-SNVBAGLBSA-N -1 0 308.290 -0.318 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCO1 ZINC000769521442 601185308 /nfs/dbraw/zinc/18/53/08/601185308.db2.gz CMFMBOQHTMYJQL-WPRPVWTQSA-N -1 0 308.294 -0.925 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000831724897 601186256 /nfs/dbraw/zinc/18/62/56/601186256.db2.gz GCXZABUOGDGPNY-JTQLQIEISA-N -1 0 324.337 -0.288 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCN(C[C@H]3CCCO3)CC2)nn1 ZINC000833340979 601195104 /nfs/dbraw/zinc/19/51/04/601195104.db2.gz ZCWLITRVGYDKTR-LLVKDONJSA-N -1 0 323.353 -0.701 20 0 DBADRM CC(C)(CNC(=O)N1CCO[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000093535386 601195725 /nfs/dbraw/zinc/19/57/25/601195725.db2.gz ALXSZWTYISXUIR-QMMMGPOBSA-N -1 0 308.356 -0.695 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)C(N)=O ZINC000035149054 601210317 /nfs/dbraw/zinc/21/03/17/601210317.db2.gz CQVOHFMKGQAAMP-ZCFIWIBFSA-N -1 0 302.308 -0.455 20 0 DBADRM COC(=O)CNS(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000831180516 601211949 /nfs/dbraw/zinc/21/19/49/601211949.db2.gz WSAMFDMFXLLFRC-UHFFFAOYSA-N -1 0 309.321 -0.094 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000817791997 601212326 /nfs/dbraw/zinc/21/23/26/601212326.db2.gz WTSBWINBRGLBJQ-UHFFFAOYSA-N -1 0 300.359 -0.558 20 0 DBADRM CC(=O)N1C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])Oc2ccccc21 ZINC000825828876 601215827 /nfs/dbraw/zinc/21/58/27/601215827.db2.gz PSKUXXWCLARKPN-JOYOIKCWSA-N -1 0 308.290 -0.638 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)CSC[C@H](O)CO)n1 ZINC000833268905 601222993 /nfs/dbraw/zinc/22/29/93/601222993.db2.gz HUVYTPCQGJWAFU-SSDOTTSWSA-N -1 0 306.365 -0.205 20 0 DBADRM O=C([O-])/C=C1\SCC(=O)N1CCCSC[C@H](O)CO ZINC000833195614 601223656 /nfs/dbraw/zinc/22/36/56/601223656.db2.gz GYRDKNWKRPIKGT-YXSUAUNDSA-N -1 0 307.393 -0.036 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000821543209 601244548 /nfs/dbraw/zinc/24/45/48/601244548.db2.gz FENBBSCDHJUEOX-JTQLQIEISA-N -1 0 303.274 -0.239 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000826793167 601244628 /nfs/dbraw/zinc/24/46/28/601244628.db2.gz LICCTRWTGDJACV-RKDXNWHRSA-N -1 0 312.326 -0.569 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCN2CCCS2(=O)=O)ccn1 ZINC000262485476 601244943 /nfs/dbraw/zinc/24/49/43/601244943.db2.gz BDGXQNHOWSZIDI-UHFFFAOYSA-N -1 0 313.335 -0.455 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCCN1CCCC1=O ZINC000830747638 601254031 /nfs/dbraw/zinc/25/40/31/601254031.db2.gz WYBZTLYCKDTEEW-UHFFFAOYSA-N -1 0 307.372 -0.760 20 0 DBADRM CC(=O)NC[C@H]1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000825871304 601257017 /nfs/dbraw/zinc/25/70/17/601257017.db2.gz OSXCZQUPLDSBNI-LLVKDONJSA-N -1 0 321.399 -0.514 20 0 DBADRM CCOCCS(=O)(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000830017020 601259267 /nfs/dbraw/zinc/25/92/67/601259267.db2.gz HGMDEYCDCIJABE-NSHDSACASA-N -1 0 308.400 -0.167 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCN1CCSCC1 ZINC000230934174 601261140 /nfs/dbraw/zinc/26/11/40/601261140.db2.gz OHQZYBKKFGAZNB-UHFFFAOYSA-N -1 0 311.429 -0.724 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCC(=O)OC(C)(C)C ZINC000830747396 601263661 /nfs/dbraw/zinc/26/36/61/601263661.db2.gz IQVPJLYMPOJXDU-UHFFFAOYSA-N -1 0 310.372 -0.041 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])CC1=O ZINC000828201304 601263953 /nfs/dbraw/zinc/26/39/53/601263953.db2.gz QXYSPQRVYYIFOT-BBBLOLIVSA-N -1 0 319.383 -0.763 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])CC1=O ZINC000828201305 601264013 /nfs/dbraw/zinc/26/40/13/601264013.db2.gz QXYSPQRVYYIFOT-KXUCPTDWSA-N -1 0 319.383 -0.763 20 0 DBADRM Cc1nn(C)c(C)c1CCNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833015070 601275298 /nfs/dbraw/zinc/27/52/98/601275298.db2.gz YVEGYSONBGTEPL-UHFFFAOYSA-N -1 0 306.326 -0.314 20 0 DBADRM CCCC(=O)NC1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000829177180 601276030 /nfs/dbraw/zinc/27/60/30/601276030.db2.gz KZOCRCDIDXXCBU-UHFFFAOYSA-N -1 0 323.353 -0.116 20 0 DBADRM CN(C)c1ncccc1CNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000830651625 601276086 /nfs/dbraw/zinc/27/60/86/601276086.db2.gz XEIYPGAVPDIWIR-UHFFFAOYSA-N -1 0 304.310 -0.246 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCC(=O)NCc2ccccc2)nn1 ZINC000833108298 601276416 /nfs/dbraw/zinc/27/64/16/601276416.db2.gz GTCBTWOLEKXDRM-UHFFFAOYSA-N -1 0 317.305 -0.591 20 0 DBADRM COC(=O)CC1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000831145163 601278154 /nfs/dbraw/zinc/27/81/54/601278154.db2.gz WBVSSTWRPSZLHH-UHFFFAOYSA-N -1 0 310.310 -0.222 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCO[C@H](Cn3cccn3)C2)nn1 ZINC000833339249 601285039 /nfs/dbraw/zinc/28/50/39/601285039.db2.gz BXEJUVHZXXYYPO-JTQLQIEISA-N -1 0 320.309 -0.900 20 0 DBADRM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000830542963 601286513 /nfs/dbraw/zinc/28/65/13/601286513.db2.gz RUCULRLKEXQWFT-NXEZZACHSA-N -1 0 323.353 -0.261 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@@H]2CCCN2c2ncccn2)n[nH]1 ZINC000833270495 601286958 /nfs/dbraw/zinc/28/69/58/601286958.db2.gz OQSAZSRJKUTQDP-QMMMGPOBSA-N -1 0 317.309 -0.171 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCO[C@H](C(F)(F)F)C2)nn1 ZINC000833340467 601289330 /nfs/dbraw/zinc/28/93/30/601289330.db2.gz UNJTWXZPNMTUDK-ZETCQYMHSA-N -1 0 308.216 -0.234 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CCCN1C(=O)CCC1=O ZINC000831549287 601291755 /nfs/dbraw/zinc/29/17/55/601291755.db2.gz SGIHRCYQDAVUPI-AWEZNQCLSA-N -1 0 314.338 -0.088 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CN1CCCS1(=O)=O ZINC000262126162 601292729 /nfs/dbraw/zinc/29/27/29/601292729.db2.gz PYSDUBGEMZGWSR-LLVKDONJSA-N -1 0 308.356 -0.982 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@@](C)(COC)CC(=O)[O-])CC1=O ZINC000831740529 601294984 /nfs/dbraw/zinc/29/49/84/601294984.db2.gz HBTPFOWFHUMWDM-QMTHXVAHSA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CCCN1C(=O)CNC1=O ZINC000831549198 601296956 /nfs/dbraw/zinc/29/69/56/601296956.db2.gz ODIRWJZAPJAVDY-ZDUSSCGKSA-N -1 0 315.326 -0.686 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)Cn1cc(C(=O)OC)nn1 ZINC000831553848 601300461 /nfs/dbraw/zinc/30/04/61/601300461.db2.gz CUCNJWXLVNZLQZ-LBPRGKRZSA-N -1 0 314.298 -0.939 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000831549280 601302401 /nfs/dbraw/zinc/30/24/01/601302401.db2.gz RURWJNMUMOIGGY-ZDUSSCGKSA-N -1 0 315.326 -0.687 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC000739838287 601341686 /nfs/dbraw/zinc/34/16/86/601341686.db2.gz CFUXKIGOJQWJGL-UHFFFAOYSA-N -1 0 324.337 -0.209 20 0 DBADRM CNS(=O)(=O)CC(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000831025634 601342201 /nfs/dbraw/zinc/34/22/01/601342201.db2.gz VNUKZQGYTFJZMA-UHFFFAOYSA-N -1 0 316.335 -0.685 20 0 DBADRM C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000827374876 601342645 /nfs/dbraw/zinc/34/26/45/601342645.db2.gz NLBZTZOLUIJRAP-VIFPVBQESA-N -1 0 324.337 -0.893 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N[C@@H]2CCCNC2=O)c(F)c1 ZINC000821463606 601349210 /nfs/dbraw/zinc/34/92/10/601349210.db2.gz NPILTQVKSIEQLZ-SNVBAGLBSA-N -1 0 323.280 -0.143 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1=O ZINC000830913141 601351014 /nfs/dbraw/zinc/35/10/14/601351014.db2.gz LZMIHOQKDAVTQB-QMMMGPOBSA-N -1 0 323.280 -0.191 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)NC[C@H](O)C2CC2)cc1 ZINC000833254059 601353825 /nfs/dbraw/zinc/35/38/25/601353825.db2.gz GIFJGXGGRGVUSH-LBPRGKRZSA-N -1 0 322.317 -0.024 20 0 DBADRM Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000819008735 601361190 /nfs/dbraw/zinc/36/11/90/601361190.db2.gz AETBNWLQWXGMNT-NXEZZACHSA-N -1 0 309.326 -0.084 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)NCCCCC(=O)[O-] ZINC000830706687 601361325 /nfs/dbraw/zinc/36/13/25/601361325.db2.gz QLNZIGRGBFLOEZ-GFCCVEGCSA-N -1 0 317.386 -0.424 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1=O ZINC000830946377 601363247 /nfs/dbraw/zinc/36/32/47/601363247.db2.gz KTLUIFALHVLYEH-UHFFFAOYSA-N -1 0 323.280 -0.237 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000827398300 601366127 /nfs/dbraw/zinc/36/61/27/601366127.db2.gz WCFXFOJMSXLQKY-LURJTMIESA-N -1 0 311.269 -0.158 20 0 DBADRM CS(=O)(=O)CCNC(=S)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000832670524 601368030 /nfs/dbraw/zinc/36/80/30/601368030.db2.gz UYHKPDVIHYCRJF-QMMMGPOBSA-N -1 0 310.397 -0.919 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CC[C@](F)(C(=O)[O-])C2)C1=O ZINC000831660669 601371389 /nfs/dbraw/zinc/37/13/89/601371389.db2.gz NMYVVRBKRVUNNO-VXGBXAGGSA-N -1 0 303.290 -0.601 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CC[C@@](F)(C(=O)[O-])C2)C1=O ZINC000831660666 601371501 /nfs/dbraw/zinc/37/15/01/601371501.db2.gz NMYVVRBKRVUNNO-NEPJUHHUSA-N -1 0 303.290 -0.601 20 0 DBADRM CCCN1C(=O)C(=O)N(CN2CCO[C@@H](CC(=O)[O-])C2)C1=O ZINC000829502289 601374250 /nfs/dbraw/zinc/37/42/50/601374250.db2.gz PKTUCPSUKHFWEG-VIFPVBQESA-N -1 0 313.310 -0.680 20 0 DBADRM Cn1c(CCC(N)=O)nn(CN(CC(=O)[O-])C2CC2)c1=S ZINC000738403570 601376852 /nfs/dbraw/zinc/37/68/52/601376852.db2.gz ODVPMCJCSOKNKJ-UHFFFAOYSA-N -1 0 313.383 -0.125 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)c1ccsc1 ZINC000831067311 601384038 /nfs/dbraw/zinc/38/40/38/601384038.db2.gz OPVMRMPISNPLLF-QMMMGPOBSA-N -1 0 314.319 -0.390 20 0 DBADRM COc1ccc([C@H](O)CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000832251785 601386921 /nfs/dbraw/zinc/38/69/21/601386921.db2.gz BEIDDRZDWBWZLH-GFCCVEGCSA-N -1 0 320.305 -0.165 20 0 DBADRM COc1ccc([C@@H](O)CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000832251786 601386928 /nfs/dbraw/zinc/38/69/28/601386928.db2.gz BEIDDRZDWBWZLH-LBPRGKRZSA-N -1 0 320.305 -0.165 20 0 DBADRM CC(C)(NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)C(=O)[O-] ZINC000826616469 601394797 /nfs/dbraw/zinc/39/47/97/601394797.db2.gz IDFXQUWATGYVQN-VIFPVBQESA-N -1 0 313.335 -0.304 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000091293870 601396946 /nfs/dbraw/zinc/39/69/46/601396946.db2.gz RSGBETJIUFZKGV-VIFPVBQESA-N -1 0 309.340 -0.555 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)C(=O)[O-] ZINC000827465722 601399151 /nfs/dbraw/zinc/39/91/51/601399151.db2.gz BLVDRWYWMLRJEB-OIBJUYFYSA-N -1 0 313.335 -0.447 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000048445701 601400584 /nfs/dbraw/zinc/40/05/84/601400584.db2.gz QVSLIMGKHXRQJQ-ZCFIWIBFSA-N -1 0 304.299 -0.063 20 0 DBADRM C[C@@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])c1cnn(C)c1 ZINC000825977607 601402753 /nfs/dbraw/zinc/40/27/53/601402753.db2.gz KLFAUKAQISAGDX-GFCCVEGCSA-N -1 0 324.381 -0.231 20 0 DBADRM C/C(=C/COC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000825765875 601422183 /nfs/dbraw/zinc/42/21/83/601422183.db2.gz ZNGZZYMVNYVGKM-BAQGIRSFSA-N -1 0 317.323 -0.505 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCO[C@H](CO)C1 ZINC000825977708 601426152 /nfs/dbraw/zinc/42/61/52/601426152.db2.gz MVPMQQVOSLCVBK-JQWIXIFHSA-N -1 0 300.355 -0.609 20 0 DBADRM O=C([O-])c1ccc(OC[C@H](O)CN2CCO[C@H](CO)C2)cc1 ZINC000833322175 601427130 /nfs/dbraw/zinc/42/71/30/601427130.db2.gz YAUQFLAVCINISV-OCCSQVGLSA-N -1 0 311.334 -0.182 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000829697545 601437817 /nfs/dbraw/zinc/43/78/17/601437817.db2.gz QOZSJWKIQOSSKB-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM COCCCS(=O)(=O)NCCN1CCO[C@H](CC(=O)[O-])C1 ZINC000831705270 601451693 /nfs/dbraw/zinc/45/16/93/601451693.db2.gz IIDGEAPKFPFCFD-LLVKDONJSA-N -1 0 324.399 -0.882 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCO[C@H](CO)C2)cc1 ZINC000833153808 601456409 /nfs/dbraw/zinc/45/64/09/601456409.db2.gz GKGARPRXEHMUQC-NSHDSACASA-N -1 0 308.290 -0.457 20 0 DBADRM O=C([O-])C[C@@H]1CN(CCn2nc3ccccn3c2=O)CCO1 ZINC000387368090 601459226 /nfs/dbraw/zinc/45/92/26/601459226.db2.gz ACGTZEXAWNHDSB-LLVKDONJSA-N -1 0 306.322 -0.329 20 0 DBADRM CC(C)NC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000826976414 601460615 /nfs/dbraw/zinc/46/06/15/601460615.db2.gz WHMGNJPCHFLYMJ-ZJUUUORDSA-N -1 0 301.343 -0.215 20 0 DBADRM CC(C)(CNC(=O)CN(CC(=O)[O-])C1CC1)N1CCOCC1 ZINC000737589630 601464494 /nfs/dbraw/zinc/46/44/94/601464494.db2.gz NDMJFVBVNCUFRB-UHFFFAOYSA-N -1 0 313.398 -0.238 20 0 DBADRM CCCNC(=O)CN(C)C(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000829513812 601465058 /nfs/dbraw/zinc/46/50/58/601465058.db2.gz RLTAYRXZAOWDSL-DTWKUNHWSA-N -1 0 300.311 -0.765 20 0 DBADRM CCCNC(=O)CN(C)C(=O)COC(=O)C(C)(C)NC(=O)[O-] ZINC000829513377 601465123 /nfs/dbraw/zinc/46/51/23/601465123.db2.gz LWTHGUXOWVIYCT-UHFFFAOYSA-N -1 0 317.342 -0.440 20 0 DBADRM CC(C)NC(=O)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817909827 601466806 /nfs/dbraw/zinc/46/68/06/601466806.db2.gz SKAHBXACEPEOOC-UHFFFAOYSA-N -1 0 321.333 -0.107 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818486271 601468583 /nfs/dbraw/zinc/46/85/83/601468583.db2.gz RPQDVXNNDPMFHT-UHFFFAOYSA-N -1 0 307.306 -0.543 20 0 DBADRM CN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1=O ZINC000818478217 601473382 /nfs/dbraw/zinc/47/33/82/601473382.db2.gz GYTRWHAZDHHZSP-LLVKDONJSA-N -1 0 319.317 -0.401 20 0 DBADRM CN1CCC[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1=O ZINC000830934782 601478263 /nfs/dbraw/zinc/47/82/63/601478263.db2.gz KZPULAQARRSCFI-JTQLQIEISA-N -1 0 319.383 -0.762 20 0 DBADRM O=C([O-])C[C@H]1CN(C[C@@H](O)COC2CCOCC2)CCO1 ZINC000833221663 601484142 /nfs/dbraw/zinc/48/41/42/601484142.db2.gz MCXUXYFZOKPZCX-YPMHNXCESA-N -1 0 303.355 -0.282 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCCNC1=O ZINC000819592228 601488941 /nfs/dbraw/zinc/48/89/41/601488941.db2.gz KWINHSCJPMXROI-LLVKDONJSA-N -1 0 319.317 -0.353 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000831001139 601497115 /nfs/dbraw/zinc/49/71/15/601497115.db2.gz XJPCOHSBTZXDNG-ZCFIWIBFSA-N -1 0 311.269 -0.287 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CCO1 ZINC000831118891 601513700 /nfs/dbraw/zinc/51/37/00/601513700.db2.gz FTXILUJAOOCHNR-SECBINFHSA-N -1 0 321.351 -0.555 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000833202711 601516214 /nfs/dbraw/zinc/51/62/14/601516214.db2.gz OHDQBXOQEGBMIV-SECBINFHSA-N -1 0 314.367 -0.233 20 0 DBADRM CNC(=O)[C@H](C)CN(C)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830975752 601520399 /nfs/dbraw/zinc/52/03/99/601520399.db2.gz RBEBSAIWQHPOPI-SECBINFHSA-N -1 0 306.384 -0.115 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)o1 ZINC000833087898 601527987 /nfs/dbraw/zinc/52/79/87/601527987.db2.gz AROVJBAQZUHHFZ-SSDOTTSWSA-N -1 0 302.308 -0.090 20 0 DBADRM CN(CC(=O)NCCC(=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000830674618 601537751 /nfs/dbraw/zinc/53/77/51/601537751.db2.gz OOCXGEGEHTYBKI-GHMZBOCLSA-N -1 0 320.411 -0.135 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000833236233 601550675 /nfs/dbraw/zinc/55/06/75/601550675.db2.gz ABXITXDSQXKHOH-MNOVXSKESA-N -1 0 318.395 -0.381 20 0 DBADRM CCOC(=O)CCCNC(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC000088381268 601559870 /nfs/dbraw/zinc/55/98/70/601559870.db2.gz LGGNMBGHQNGROP-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM COC(=O)[C@H]1COCCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000831120100 601560844 /nfs/dbraw/zinc/56/08/44/601560844.db2.gz YHFKZEAZLMVHID-LLVKDONJSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC000823659614 601562169 /nfs/dbraw/zinc/56/21/69/601562169.db2.gz JFGCCKLFDHGCKQ-CMPLNLGQSA-N -1 0 322.365 0.000 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000137175506 601562907 /nfs/dbraw/zinc/56/29/07/601562907.db2.gz KWTMWPADQUNVRU-VIFPVBQESA-N -1 0 315.351 -0.344 20 0 DBADRM COc1cccc(CCNS(=O)(=O)N(C)CCC(=O)[O-])n1 ZINC000832549900 601564243 /nfs/dbraw/zinc/56/42/43/601564243.db2.gz WJJOHIXCOGAEED-UHFFFAOYSA-N -1 0 317.367 -0.126 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000825847256 601565822 /nfs/dbraw/zinc/56/58/22/601565822.db2.gz PGIWGYVCSODZRL-UHFFFAOYSA-N -1 0 319.364 -0.306 20 0 DBADRM NC(=O)[C@H]1CCCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000833081763 601567426 /nfs/dbraw/zinc/56/74/26/601567426.db2.gz WZPUDUCFVBMNCT-LURJTMIESA-N -1 0 319.364 -0.273 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C[C@H](O)COCc1ccccc1 ZINC000309578851 601568708 /nfs/dbraw/zinc/56/87/08/601568708.db2.gz RJJSINKNNPLOGN-KBPBESRZSA-N -1 0 322.361 -0.161 20 0 DBADRM CN(CC(N)=O)S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000830706258 601570892 /nfs/dbraw/zinc/57/08/92/601570892.db2.gz HJNVJQBBUCXLEM-UHFFFAOYSA-N -1 0 308.262 -0.231 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000776575180 601574078 /nfs/dbraw/zinc/57/40/78/601574078.db2.gz ZGEDYNZQSCPHGH-VIFPVBQESA-N -1 0 313.397 -0.406 20 0 DBADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN(CCO)CCO ZINC000833194517 601575338 /nfs/dbraw/zinc/57/53/38/601575338.db2.gz IXDILYORYRTDCX-AWEZNQCLSA-N -1 0 322.361 -0.689 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000740007982 601578565 /nfs/dbraw/zinc/57/85/65/601578565.db2.gz XOJNSBZVBIWHBJ-FQEVSTJZSA-N -1 0 305.400 -0.445 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000833228666 601580707 /nfs/dbraw/zinc/58/07/07/601580707.db2.gz TZKPLOJHUYLLFM-GFCCVEGCSA-N -1 0 320.411 -0.165 20 0 DBADRM CC(C)[C@H](NC1CCOCC1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000826716852 601589254 /nfs/dbraw/zinc/58/92/54/601589254.db2.gz LDMPNIKYBJVRET-ZDUSSCGKSA-N -1 0 316.354 -0.476 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@@H]1C ZINC000095017684 601589722 /nfs/dbraw/zinc/58/97/22/601589722.db2.gz YBOSLBXUQZZKFQ-IUCAKERBSA-N -1 0 308.356 -0.621 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263188277 601589743 /nfs/dbraw/zinc/58/97/43/601589743.db2.gz VGEKTFPRTFGZFL-GHMZBOCLSA-N -1 0 324.399 -0.522 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)c1cnn(C)c1N)C(=O)[O-] ZINC000828727771 601589952 /nfs/dbraw/zinc/58/99/52/601589952.db2.gz FGSULQXBHNYEPX-OIBJUYFYSA-N -1 0 312.326 -0.225 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCN(C)C(=O)C1(C)C ZINC000094865742 601594044 /nfs/dbraw/zinc/59/40/44/601594044.db2.gz KXVJSUFCCIWRKA-UHFFFAOYSA-N -1 0 307.372 -0.810 20 0 DBADRM O=C([O-])c1ccc(NC(=O)CS(=O)(=O)c2nc[nH]n2)cc1 ZINC000833115013 601604893 /nfs/dbraw/zinc/60/48/93/601604893.db2.gz SVWIAXUVBBNOPH-UHFFFAOYSA-N -1 0 310.291 -0.085 20 0 DBADRM C[C@]12CCC(=O)N1[C@H](C(=O)N1CCOC[C@H]1C(=O)[O-])CS2 ZINC000252665613 601609443 /nfs/dbraw/zinc/60/94/43/601609443.db2.gz IDGQKVULIAPYMU-RVBZMBCESA-N -1 0 314.363 -0.248 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000314230759 601612638 /nfs/dbraw/zinc/61/26/38/601612638.db2.gz GNVFHRSPQLOCCU-UTCJRWHESA-N -1 0 307.262 -0.075 20 0 DBADRM Cn1cc(C(=O)Nc2ccccc2CC(=O)[O-])c(=O)n(C)c1=O ZINC000738404339 601615175 /nfs/dbraw/zinc/61/51/75/601615175.db2.gz BGVSCQMXWSBAEV-UHFFFAOYSA-N -1 0 317.301 -0.037 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC000818547331 601629456 /nfs/dbraw/zinc/62/94/56/601629456.db2.gz FRPXHKYXERRJCJ-UHFFFAOYSA-N -1 0 324.337 -0.209 20 0 DBADRM COC[C@](C)(O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000831637597 601630461 /nfs/dbraw/zinc/63/04/61/601630461.db2.gz LCTKHYAOGKDEOD-AWEZNQCLSA-N -1 0 310.306 -0.163 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)CCCC(=O)[O-] ZINC000826004981 601638357 /nfs/dbraw/zinc/63/83/57/601638357.db2.gz PORFEEHQBPPGOY-UWVGGRQHSA-N -1 0 307.368 -0.050 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)CS(=O)(=O)CCCC(=O)[O-] ZINC000830869800 601639618 /nfs/dbraw/zinc/63/96/18/601639618.db2.gz KELNNPGAQITFOC-UHFFFAOYSA-N -1 0 317.367 -0.342 20 0 DBADRM C[C@@H]1CN(C(=O)CS(=O)(=O)CCCC(=O)[O-])C[C@@H](C)O1 ZINC000828341048 601639665 /nfs/dbraw/zinc/63/96/65/601639665.db2.gz MZJRKWARKGUXBU-NXEZZACHSA-N -1 0 307.368 -0.098 20 0 DBADRM CCCCC[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000829320874 601641455 /nfs/dbraw/zinc/64/14/55/601641455.db2.gz GLERZLATFKAJIM-NSHDSACASA-N -1 0 320.411 -0.134 20 0 DBADRM CCCCC[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)[O-] ZINC000829321585 601643317 /nfs/dbraw/zinc/64/33/17/601643317.db2.gz SBUSWSBAADKTOT-QMMMGPOBSA-N -1 0 313.310 -0.443 20 0 DBADRM C[C@@H]1CN(C(=O)NCCC(=O)N2CCOCC2)C[C@H]1C(=O)[O-] ZINC000317953127 601649670 /nfs/dbraw/zinc/64/96/70/601649670.db2.gz HKJRFCJTPDMKEE-GHMZBOCLSA-N -1 0 313.354 -0.403 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000825876318 601653425 /nfs/dbraw/zinc/65/34/25/601653425.db2.gz VGYFEIHOJYMPRS-CYBMUJFWSA-N -1 0 317.317 -0.956 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000767216753 601654442 /nfs/dbraw/zinc/65/44/42/601654442.db2.gz POVHKRNNKMAYNW-SKDRFNHKSA-N -1 0 322.358 -0.174 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000767216750 601654645 /nfs/dbraw/zinc/65/46/45/601654645.db2.gz POVHKRNNKMAYNW-BXKDBHETSA-N -1 0 322.358 -0.174 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)CCCN2C(=O)CCC2=O)C1 ZINC000833098506 601659412 /nfs/dbraw/zinc/65/94/12/601659412.db2.gz GBPGGWKKCWJTLD-ZDUSSCGKSA-N -1 0 300.286 -0.059 20 0 DBADRM CCN(CC)C(=O)CCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000829648338 601660014 /nfs/dbraw/zinc/66/00/14/601660014.db2.gz KNIHMRZGSODGJG-JTQLQIEISA-N -1 0 313.354 -0.563 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC(C)(C)C(=O)[O-] ZINC000827760648 601660846 /nfs/dbraw/zinc/66/08/46/601660846.db2.gz MLNAWFDMCFZAER-ZETCQYMHSA-N -1 0 318.355 -0.934 20 0 DBADRM C[C@H]1CN(C(=O)NCCOCCS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000828361493 601665240 /nfs/dbraw/zinc/66/52/40/601665240.db2.gz IMHCOHROXVJZFF-VHSXEESVSA-N -1 0 322.383 -0.590 20 0 DBADRM C[C@@H]1CN(C(=O)NCCOCCS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000828361491 601665333 /nfs/dbraw/zinc/66/53/33/601665333.db2.gz IMHCOHROXVJZFF-NXEZZACHSA-N -1 0 322.383 -0.590 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000827928576 601667578 /nfs/dbraw/zinc/66/75/78/601667578.db2.gz JDFPRXZVQITXLN-IUCAKERBSA-N -1 0 314.367 -0.002 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000826970816 601668694 /nfs/dbraw/zinc/66/86/94/601668694.db2.gz DBLYFIACMAWTTO-NSHDSACASA-N -1 0 315.370 -0.855 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)C(C)C ZINC000831540684 601669870 /nfs/dbraw/zinc/66/98/70/601669870.db2.gz BPDMCEFQRYJGSC-MFKMUULPSA-N -1 0 316.354 -0.524 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)[C@@]23CCC(=O)N2CCS3)CCO1 ZINC000833215615 601671081 /nfs/dbraw/zinc/67/10/81/601671081.db2.gz PUCSEZIBEQNPMR-ZANVPECISA-N -1 0 314.363 -0.246 20 0 DBADRM CC(C)(CNC(=O)NCCOCCS(C)(=O)=O)C(=O)[O-] ZINC000826581004 601674918 /nfs/dbraw/zinc/67/49/18/601674918.db2.gz RPPVAJASOJBWGE-UHFFFAOYSA-N -1 0 310.372 -0.542 20 0 DBADRM COC[C@@](C)(NC(=O)CNC(=O)OCC(F)(F)F)C(=O)[O-] ZINC000831608281 601691901 /nfs/dbraw/zinc/69/19/01/601691901.db2.gz JSEHKCSFGDZWQO-SECBINFHSA-N -1 0 316.232 -0.119 20 0 DBADRM COC[C@@](C)(NC(=O)CSc1nnnn1C1CC1)C(=O)[O-] ZINC000328551163 601692072 /nfs/dbraw/zinc/69/20/72/601692072.db2.gz TXFFQJWWXXEJMU-LLVKDONJSA-N -1 0 315.355 -0.294 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(COC)C(=O)[O-])o1 ZINC000262038914 601692297 /nfs/dbraw/zinc/69/22/97/601692297.db2.gz CKKZWNMWXVJDHT-NSHDSACASA-N -1 0 320.323 -0.593 20 0 DBADRM COC[C@](C)(NC(=O)CN(C)CC(=O)NC(C)C)C(=O)[O-] ZINC000831608278 601693174 /nfs/dbraw/zinc/69/31/74/601693174.db2.gz JPBTYMPDUVAQCF-ZDUSSCGKSA-N -1 0 303.359 -0.951 20 0 DBADRM COC[C@@](C)(NC(=O)C1CCN(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000262287580 601696886 /nfs/dbraw/zinc/69/68/86/601696886.db2.gz VOXSOOJIGHAXCL-CQSZACIVSA-N -1 0 315.370 -0.014 20 0 DBADRM COC[C@](C)(NC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC000262040022 601697456 /nfs/dbraw/zinc/69/74/56/601697456.db2.gz CNLOQWYNYHOMSR-NSHDSACASA-N -1 0 305.308 -0.097 20 0 DBADRM COC[C@@](C)(NC(=O)c1csc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000262149546 601698401 /nfs/dbraw/zinc/69/84/01/601698401.db2.gz LUMYFAMIONXIKM-SNVBAGLBSA-N -1 0 322.364 -0.385 20 0 DBADRM COC[C@@](C)(NC(=O)c1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC000345907171 601700912 /nfs/dbraw/zinc/70/09/12/601700912.db2.gz MTIVPWAQKHVMKQ-CQSZACIVSA-N -1 0 310.306 -0.230 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000833357175 601713926 /nfs/dbraw/zinc/71/39/26/601713926.db2.gz QKMQJGONWLGMJC-AWEZNQCLSA-N -1 0 321.264 -0.145 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000825876182 601717731 /nfs/dbraw/zinc/71/77/31/601717731.db2.gz SGLPNZLLQTYVLG-GXSJLCMTSA-N -1 0 313.354 -0.802 20 0 DBADRM Cc1nc(SCCC(=O)N2CCOC[C@H]2C(=O)[O-])n[nH]1 ZINC000833021090 601721240 /nfs/dbraw/zinc/72/12/40/601721240.db2.gz HDOBMZULHJPBEY-QMMMGPOBSA-N -1 0 300.340 -0.093 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)Cn2c(=O)cnc3ccccc32)CCOC1 ZINC000833119483 601725366 /nfs/dbraw/zinc/72/53/66/601725366.db2.gz NFHOYOWSNIGXFW-OAHLLOKOSA-N -1 0 317.301 -0.244 20 0 DBADRM O=C(CSc1nnnn1C1CC1)N[C@]1(C(=O)[O-])CCOC1 ZINC000085854252 601725653 /nfs/dbraw/zinc/72/56/53/601725653.db2.gz GBVXUGSVWOEMEL-LLVKDONJSA-N -1 0 313.339 -0.540 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCC(=O)OC2CCCCC2)nn1 ZINC000833121191 601733566 /nfs/dbraw/zinc/73/35/66/601733566.db2.gz DUDWENVEDIWDEW-UHFFFAOYSA-N -1 0 310.310 -0.032 20 0 DBADRM CCOC(=O)[C@H](CC1CC1)NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000829823357 601734553 /nfs/dbraw/zinc/73/45/53/601734553.db2.gz UHAMJPQLSABEBS-VIFPVBQESA-N -1 0 310.310 -0.176 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCO1 ZINC000833216082 601737154 /nfs/dbraw/zinc/73/71/54/601737154.db2.gz YZKLXXSZIVZJBQ-KOLCDFICSA-N -1 0 322.321 -0.535 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)N[C@]2(C(=O)[O-])CCOC2)C1=O ZINC000387733160 601737268 /nfs/dbraw/zinc/73/72/68/601737268.db2.gz VDROVPRYIJTCDV-QWHCGFSZSA-N -1 0 313.310 -0.933 20 0 DBADRM Cn1nnnc1SCCC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000833064996 601737329 /nfs/dbraw/zinc/73/73/29/601737329.db2.gz ZBJQPQQSQMJOSO-JTQLQIEISA-N -1 0 301.328 -0.948 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)S1 ZINC000833089515 601738640 /nfs/dbraw/zinc/73/86/40/601738640.db2.gz QLCGEWYPLWAWMV-BQBZGAKWSA-N -1 0 301.324 -0.755 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)NC3=O)CCO1 ZINC000833219397 601743304 /nfs/dbraw/zinc/74/33/04/601743304.db2.gz IBGRJWGUPFISCF-VIFPVBQESA-N -1 0 318.285 -0.114 20 0 DBADRM CC[C@H](NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C(=O)[O-] ZINC000828933011 601753756 /nfs/dbraw/zinc/75/37/56/601753756.db2.gz JMUZANBWAIIIBB-LURJTMIESA-N -1 0 323.309 -0.726 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000833056042 601759199 /nfs/dbraw/zinc/75/91/99/601759199.db2.gz VABBXFZCFXVNEK-NSHDSACASA-N -1 0 319.314 -0.689 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCCO[C@@H]2CCOC2)CCO1 ZINC000819310576 601759936 /nfs/dbraw/zinc/75/99/36/601759936.db2.gz HTZHSXXCNIHUPP-GHMZBOCLSA-N -1 0 302.327 -0.323 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCCO[C@H]2CCOC2)CCO1 ZINC000819310578 601760227 /nfs/dbraw/zinc/76/02/27/601760227.db2.gz HTZHSXXCNIHUPP-QWRGUYRKSA-N -1 0 302.327 -0.323 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)cn2C)C[C@H]1C(=O)[O-] ZINC000111249044 601763117 /nfs/dbraw/zinc/76/31/17/601763117.db2.gz NPGCROPRAKEAGO-IONNQARKSA-N -1 0 315.351 -0.535 20 0 DBADRM CC(C)NC(=O)CCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000122600775 601764105 /nfs/dbraw/zinc/76/41/05/601764105.db2.gz FJVRCUKQQANMSJ-JTQLQIEISA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000316735660 601765845 /nfs/dbraw/zinc/76/58/45/601765845.db2.gz OCUZKGQTUNHLDT-NEPJUHHUSA-N -1 0 315.370 -0.408 20 0 DBADRM O=C(CNC(=O)NC1CCCCC1)N[C@]1(C(=O)[O-])CCOC1 ZINC000262131198 601766283 /nfs/dbraw/zinc/76/62/83/601766283.db2.gz QRTDODXTHHGXNE-CQSZACIVSA-N -1 0 313.354 -0.022 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)s1 ZINC000833089240 601766614 /nfs/dbraw/zinc/76/66/14/601766614.db2.gz YPTWDGUILHMKDM-SNVBAGLBSA-N -1 0 320.348 -0.631 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])n1 ZINC000831807203 601766847 /nfs/dbraw/zinc/76/68/47/601766847.db2.gz DXBNEYCTJYXOOP-UHFFFAOYSA-N -1 0 312.326 -0.305 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCCCC(=O)NC2CC2)CCO1 ZINC000388267196 601766914 /nfs/dbraw/zinc/76/69/14/601766914.db2.gz XNQUEEUXTDULNW-LLVKDONJSA-N -1 0 313.354 -0.070 20 0 DBADRM CC(C)C(=O)N1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000020397696 601771359 /nfs/dbraw/zinc/77/13/59/601771359.db2.gz OBUGYRLDGZRJNN-SNVBAGLBSA-N -1 0 306.384 -0.163 20 0 DBADRM CN1CCO[C@H](CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC000217792140 601773590 /nfs/dbraw/zinc/77/35/90/601773590.db2.gz CSRAZHBAJFTNSU-WDEREUQCSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@H](CS(=O)(=O)NCc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000827563578 601774508 /nfs/dbraw/zinc/77/45/08/601774508.db2.gz OVHKGFLBYAJOFH-MRVPVSSYSA-N -1 0 300.336 -0.074 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000830125528 601775711 /nfs/dbraw/zinc/77/57/11/601775711.db2.gz FJHIICPRAFQBTG-NXEZZACHSA-N -1 0 322.383 -0.305 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000830125539 601775731 /nfs/dbraw/zinc/77/57/31/601775731.db2.gz FJHIICPRAFQBTG-ZJUUUORDSA-N -1 0 322.383 -0.305 20 0 DBADRM C[C@@H](CS(=O)(=O)NCC(=O)NCc1ccccc1)C(=O)[O-] ZINC000827559797 601775899 /nfs/dbraw/zinc/77/58/99/601775899.db2.gz YECXJQMEKWJKLS-JTQLQIEISA-N -1 0 314.363 -0.057 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC000319257269 601775994 /nfs/dbraw/zinc/77/59/94/601775994.db2.gz YUDJOKJMCAKKOF-RYUDHWBXSA-N -1 0 315.370 -0.408 20 0 DBADRM NC(=O)C1CCC(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000833083102 601780055 /nfs/dbraw/zinc/78/00/55/601780055.db2.gz XAPLXNKFNYAXLM-VQXHTEKXSA-N -1 0 313.354 -0.084 20 0 DBADRM CC(=O)N(C)C1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000825819036 601781770 /nfs/dbraw/zinc/78/17/70/601781770.db2.gz AYRMKIBDHHEUTG-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@H]([C@H](C)N(C)S(=O)(=O)C[C@@H](C)C(=O)[O-])S(C)(=O)=O ZINC000827533590 601790550 /nfs/dbraw/zinc/79/05/50/601790550.db2.gz RBBKUBCAWHZOTF-HRDYMLBCSA-N -1 0 315.413 -0.210 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000830125822 601791031 /nfs/dbraw/zinc/79/10/31/601791031.db2.gz IURIJWKDOVXPCU-DTWKUNHWSA-N -1 0 315.413 -0.208 20 0 DBADRM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])CC2 ZINC000830323230 601791959 /nfs/dbraw/zinc/79/19/59/601791959.db2.gz YBHPAGCIWFXCQI-BDAKNGLRSA-N -1 0 316.383 -0.205 20 0 DBADRM C[C@@H]1CN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)C[C@H]1C(=O)[O-] ZINC000828388000 601795574 /nfs/dbraw/zinc/79/55/74/601795574.db2.gz VDMGXWFCBKCSLT-RKDXNWHRSA-N -1 0 324.341 -0.449 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)C(=O)[O-] ZINC000827551124 601796180 /nfs/dbraw/zinc/79/61/80/601796180.db2.gz FAHGNKYUSIJBQP-ZYUZMQFOSA-N -1 0 304.368 -0.364 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000831060652 601797321 /nfs/dbraw/zinc/79/73/21/601797321.db2.gz XGKMWWDIWQFNLJ-SECBINFHSA-N -1 0 323.367 -0.309 20 0 DBADRM CNC(=O)CC1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000830984242 601797842 /nfs/dbraw/zinc/79/78/42/601797842.db2.gz MLADCQYSQKRUCA-SECBINFHSA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@H](CS(=O)(=O)NCCCNC(=O)C1CCC1)C(=O)[O-] ZINC000827557897 601798701 /nfs/dbraw/zinc/79/87/01/601798701.db2.gz IIBTWHGGZJBOCC-SECBINFHSA-N -1 0 306.384 -0.067 20 0 DBADRM C[C@H](CS(=O)(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000827557143 601798707 /nfs/dbraw/zinc/79/87/07/601798707.db2.gz BOLCIQCOWJBMJS-MRVPVSSYSA-N -1 0 313.397 -0.549 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CCOC1CCOCC1)C(=O)[O-] ZINC000831129135 601810750 /nfs/dbraw/zinc/81/07/50/601810750.db2.gz RINUNHKMYIYDIS-SNVBAGLBSA-N -1 0 303.311 -0.295 20 0 DBADRM CCOC(=O)/C=C/Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000829838264 601810770 /nfs/dbraw/zinc/81/07/70/601810770.db2.gz USXPHLFFHBBQMO-ONEGZZNKSA-N -1 0 306.278 -0.203 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(C(=O)NC)CC1)C(=O)[O-] ZINC000828720058 601843511 /nfs/dbraw/zinc/84/35/11/601843511.db2.gz UGXSEACHMNNHOJ-CMPLNLGQSA-N -1 0 314.386 -0.441 20 0 DBADRM CNC(=O)N1CCN(Cc2noc(CCCC(=O)[O-])n2)CC1 ZINC000831000302 601843953 /nfs/dbraw/zinc/84/39/53/601843953.db2.gz ASHZTNHKWQCPIA-UHFFFAOYSA-N -1 0 311.342 -0.066 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000262693800 601851584 /nfs/dbraw/zinc/85/15/84/601851584.db2.gz GXJYOQNCGGRSOQ-UHFFFAOYSA-N -1 0 322.383 -0.735 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)Cn1nc(COC)oc1=O)C(=O)[O-] ZINC000828728486 601869206 /nfs/dbraw/zinc/86/92/06/601869206.db2.gz KSDRKUGKWGWLJS-GMSGAONNSA-N -1 0 301.299 -0.402 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](CNC(=O)[O-])C2)o1 ZINC000740342001 601878051 /nfs/dbraw/zinc/87/80/51/601878051.db2.gz XQEQTJKWOCTGJF-SSDOTTSWSA-N -1 0 317.323 -0.343 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000833084328 601882872 /nfs/dbraw/zinc/88/28/72/601882872.db2.gz YPCXYRUQJMTHJG-UHFFFAOYSA-N -1 0 315.311 -0.523 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC000739577430 601906347 /nfs/dbraw/zinc/90/63/47/601906347.db2.gz HIQMVWZBDPLAAT-DTWKUNHWSA-N -1 0 312.326 -0.425 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000736366936 601906762 /nfs/dbraw/zinc/90/67/62/601906762.db2.gz YSGYUYDYFVIUKW-UWVGGRQHSA-N -1 0 321.399 -0.181 20 0 DBADRM CCCN1C(=O)C(=O)N(CN2CC[C@H](CNC(=O)[O-])C2)C1=O ZINC000739364083 601914479 /nfs/dbraw/zinc/91/44/79/601914479.db2.gz PNEVJCPZHIRULH-SECBINFHSA-N -1 0 312.326 -0.266 20 0 DBADRM CC(C)N(CCC(=O)NCCN1CCCS1(=O)=O)C(=O)[O-] ZINC000738842904 601933648 /nfs/dbraw/zinc/93/36/48/601933648.db2.gz RUWSSOQJCBRQBV-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM Cc1nc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)nn1-c1nc[nH]n1 ZINC000832994883 601945507 /nfs/dbraw/zinc/94/55/07/601945507.db2.gz PKKBWQPUHCTNHC-ZETCQYMHSA-N -1 0 307.314 -0.077 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)O1 ZINC000833082883 601961409 /nfs/dbraw/zinc/96/14/09/601961409.db2.gz SAZRPLZYFBOOEM-RQJHMYQMSA-N -1 0 318.307 -0.711 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739764413 601971371 /nfs/dbraw/zinc/97/13/71/601971371.db2.gz YYQMCQBFHMLFCC-UWVGGRQHSA-N -1 0 301.343 -0.262 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)N1CCN(C(=O)[O-])CC1)CC2 ZINC000738367693 601972742 /nfs/dbraw/zinc/97/27/42/601972742.db2.gz NILJSWWLKRAFEE-JTQLQIEISA-N -1 0 308.342 -0.093 20 0 DBADRM COCC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000831540884 601975507 /nfs/dbraw/zinc/97/55/07/601975507.db2.gz HQBSAFSXYHFORC-UHFFFAOYSA-N -1 0 315.347 -0.051 20 0 DBADRM O=C([O-])c1c(F)cccc1S(=O)(=O)N1CCNC(=O)C1 ZINC000833358097 601976619 /nfs/dbraw/zinc/97/66/19/601976619.db2.gz BTSKKGLPKFTBLA-UHFFFAOYSA-N -1 0 302.283 -0.356 20 0 DBADRM O=C([O-])NCCC(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000738655200 601990201 /nfs/dbraw/zinc/99/02/01/601990201.db2.gz YHEZCGPEQMXXIL-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)NCCc2nnc[nH]2)cc1 ZINC000080582707 601994853 /nfs/dbraw/zinc/99/48/53/601994853.db2.gz SGUMDJNKZNVPAB-UHFFFAOYSA-N -1 0 310.335 -0.047 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)Oc1cnccc1C(=O)[O-] ZINC000832670247 601996575 /nfs/dbraw/zinc/99/65/75/601996575.db2.gz GVLSNEFJXUBVFK-UHFFFAOYSA-N -1 0 323.348 -0.077 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)Nc2ccn(CC(=O)[O-])n2)O1 ZINC000833080591 601997130 /nfs/dbraw/zinc/99/71/30/601997130.db2.gz BOCUVHHGHICFKO-YUMQZZPRSA-N -1 0 311.298 -0.878 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)Nc2ccn(CC(=O)[O-])n2)O1 ZINC000833080587 601997209 /nfs/dbraw/zinc/99/72/09/601997209.db2.gz BOCUVHHGHICFKO-HTQZYQBOSA-N -1 0 311.298 -0.878 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000739588762 601999535 /nfs/dbraw/zinc/99/95/35/601999535.db2.gz QIJVIBPBBQFZKR-SNVBAGLBSA-N -1 0 307.372 -0.362 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739769660 602000861 /nfs/dbraw/zinc/00/08/61/602000861.db2.gz BWWRNGUIJVABCH-GHMZBOCLSA-N -1 0 313.354 -0.403 20 0 DBADRM COC(=O)[C@H]1C[C@H]1C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739769663 602000918 /nfs/dbraw/zinc/00/09/18/602000918.db2.gz BWWRNGUIJVABCH-MNOVXSKESA-N -1 0 313.354 -0.403 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)CN(C)S(C)(=O)=O ZINC000738998951 602012374 /nfs/dbraw/zinc/01/23/74/602012374.db2.gz FDHUNPVRVAMHQV-ZJUUUORDSA-N -1 0 321.399 -0.085 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 ZINC000827986204 602012167 /nfs/dbraw/zinc/01/21/67/602012167.db2.gz RHBKUJOENJPISE-GFCCVEGCSA-N -1 0 319.383 -0.775 20 0 DBADRM COCCn1nc(C(=O)NCCN(C(=O)[O-])C2CC2)ccc1=O ZINC000739843275 602029387 /nfs/dbraw/zinc/02/93/87/602029387.db2.gz SDDIJRBXRMHWFS-UHFFFAOYSA-N -1 0 324.337 -0.238 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CC[C@](C)(C(=O)[O-])C2)n1C ZINC000833017865 602029983 /nfs/dbraw/zinc/02/99/83/602029983.db2.gz JYPPZENXYTZRDS-AWEZNQCLSA-N -1 0 309.370 -0.121 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCN3C(=O)OC[C@H]3C2)CC1 ZINC000833191352 602030885 /nfs/dbraw/zinc/03/08/85/602030885.db2.gz QYMGYWNQNIWUFB-LLVKDONJSA-N -1 0 311.338 -0.554 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739039251 602031333 /nfs/dbraw/zinc/03/13/33/602031333.db2.gz ZHTNZZYNRZSVLX-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739038387 602036407 /nfs/dbraw/zinc/03/64/07/602036407.db2.gz LBNZINTVROFKCO-IUCAKERBSA-N -1 0 307.372 -0.475 20 0 DBADRM CN(CC(=O)N1CC[C@](C)(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000830665647 602053776 /nfs/dbraw/zinc/05/37/76/602053776.db2.gz JUOGBNRSVCBLJU-GWCFXTLKSA-N -1 0 318.395 -0.572 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000739583389 602054141 /nfs/dbraw/zinc/05/41/41/602054141.db2.gz ONDVLCORIGGOQJ-NXEZZACHSA-N -1 0 319.383 -0.043 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCN(CC(N)=O)CC1 ZINC000736422385 602066264 /nfs/dbraw/zinc/06/62/64/602066264.db2.gz QGMPAHDSAGYEOX-SNVBAGLBSA-N -1 0 300.359 -0.702 20 0 DBADRM O=C([O-])NCC(=O)OCC(=O)Nc1nnc([C@@H]2CCCO2)o1 ZINC000740598863 602068951 /nfs/dbraw/zinc/06/89/51/602068951.db2.gz VVZCUUVREJCXHL-LURJTMIESA-N -1 0 314.254 -0.330 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CCC(=O)N1CCOCC1 ZINC000829949236 602071392 /nfs/dbraw/zinc/07/13/92/602071392.db2.gz ZBKGRIUKGNRPLK-NSHDSACASA-N -1 0 316.354 -0.427 20 0 DBADRM COC[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C1CC1 ZINC000826151516 607542918 /nfs/dbraw/zinc/54/29/18/607542918.db2.gz CLOYWDAQZKZGNX-MRVPVSSYSA-N -1 0 321.341 -0.899 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CCCN1C(=O)CNC1=O ZINC000829948182 602074820 /nfs/dbraw/zinc/07/48/20/602074820.db2.gz RYJFTWWKHTUNFR-VIFPVBQESA-N -1 0 315.326 -0.734 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CCN1C(=O)CCC1=O ZINC000829946146 602078427 /nfs/dbraw/zinc/07/84/27/602078427.db2.gz HPMLGTIRVBCJOJ-VIFPVBQESA-N -1 0 300.311 -0.526 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000827263047 602080941 /nfs/dbraw/zinc/08/09/41/602080941.db2.gz NPPJQVZLVLDGJO-GHMZBOCLSA-N -1 0 311.382 -0.092 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)NCCN(C(=O)[O-])C2CC2)CCO1 ZINC000740329249 602081849 /nfs/dbraw/zinc/08/18/49/602081849.db2.gz UNJSBGDQOHRVAP-VIFPVBQESA-N -1 0 300.315 -0.976 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)NCCN(C(=O)[O-])C2CC2)cn1 ZINC000739750169 602083306 /nfs/dbraw/zinc/08/33/06/602083306.db2.gz RHSOJGIEDYNFNJ-UHFFFAOYSA-N -1 0 324.341 -0.107 20 0 DBADRM CCCNC(=O)CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739368053 602084347 /nfs/dbraw/zinc/08/43/47/602084347.db2.gz SBYZTMJLSSLDBX-UHFFFAOYSA-N -1 0 323.309 -0.248 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)N2CCC(CC(=O)[O-])CC2)O1 ZINC000833081478 602093729 /nfs/dbraw/zinc/09/37/29/602093729.db2.gz HDNFLONIZKFAOJ-GHMZBOCLSA-N -1 0 313.354 -0.084 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000827316586 602095133 /nfs/dbraw/zinc/09/51/33/602095133.db2.gz BKBFVNODLMLASY-MRVPVSSYSA-N -1 0 307.306 -0.049 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000827291432 602102459 /nfs/dbraw/zinc/10/24/59/602102459.db2.gz KQKLKUOMPLZJDN-JTQLQIEISA-N -1 0 310.354 -0.002 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)NCCCNS(C)(=O)=O ZINC000739231046 602117652 /nfs/dbraw/zinc/11/76/52/602117652.db2.gz DARVAHCJBVCVJA-IUCAKERBSA-N -1 0 309.388 -0.276 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737944393 602118750 /nfs/dbraw/zinc/11/87/50/602118750.db2.gz LOVCCSYISNEMFM-UHFFFAOYSA-N -1 0 321.333 -0.153 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738013748 602121312 /nfs/dbraw/zinc/12/13/12/602121312.db2.gz FPHFTVKSZVJXBD-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)COC)CC1 ZINC000739229964 602127972 /nfs/dbraw/zinc/12/79/72/602127972.db2.gz IVUUXNYSMHRQMY-ZYHUDNBSSA-N -1 0 315.370 -0.014 20 0 DBADRM NC(=O)NCC(=O)Nc1ccc(N2CCN(C(=O)[O-])CC2)cn1 ZINC000740333744 602128411 /nfs/dbraw/zinc/12/84/11/602128411.db2.gz VALVZTVEEHZJHD-UHFFFAOYSA-N -1 0 322.325 -0.512 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N[C@H]2CCCNC2=O)c1 ZINC000819548035 602133978 /nfs/dbraw/zinc/13/39/78/602133978.db2.gz ZKKGMKVYGONUEB-NSHDSACASA-N -1 0 319.317 -0.353 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000830734355 602134012 /nfs/dbraw/zinc/13/40/12/602134012.db2.gz DVFZFUMWNSDWTF-UWVGGRQHSA-N -1 0 319.383 -0.619 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](CO)C2)c1 ZINC000819543446 602135257 /nfs/dbraw/zinc/13/52/57/602135257.db2.gz ORMQLISXMDYCKU-GFCCVEGCSA-N -1 0 322.317 -0.528 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N2CCO[C@H](CO)C2)c1 ZINC000819543456 602135305 /nfs/dbraw/zinc/13/53/05/602135305.db2.gz ORMQLISXMDYCKU-LBPRGKRZSA-N -1 0 322.317 -0.528 20 0 DBADRM CCOC(=O)[C@H](C)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000829823494 602155667 /nfs/dbraw/zinc/15/56/67/602155667.db2.gz WQBZNADBWNSGLS-QMMMGPOBSA-N -1 0 319.339 -0.460 20 0 DBADRM CCOC(=O)[C@@H](C)N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000829822276 602155912 /nfs/dbraw/zinc/15/59/12/602155912.db2.gz DKPMPRMLCMRXJY-SECBINFHSA-N -1 0 322.383 -0.089 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738034858 602157281 /nfs/dbraw/zinc/15/72/81/602157281.db2.gz CDRWCISQLMDKSZ-VIFPVBQESA-N -1 0 316.310 -0.449 20 0 DBADRM O=C([O-])N1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000738720797 602159709 /nfs/dbraw/zinc/15/97/09/602159709.db2.gz QQCGWKGUXXJUHB-UHFFFAOYSA-N -1 0 324.337 -0.423 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000829817586 602165537 /nfs/dbraw/zinc/16/55/37/602165537.db2.gz ITNQMBVVBPQMHY-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000826976380 602166098 /nfs/dbraw/zinc/16/60/98/602166098.db2.gz UYHNXBXTFHUPQP-QMMMGPOBSA-N -1 0 324.341 -0.047 20 0 DBADRM COC(=O)CN(C)C(=O)c1ccc(C(=O)N(C)CC(=O)[O-])o1 ZINC000831164316 602182766 /nfs/dbraw/zinc/18/27/66/602182766.db2.gz KVHVOBWZEQTOJE-UHFFFAOYSA-N -1 0 312.278 -0.319 20 0 DBADRM Cn1nc2c(c1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])CCCC2 ZINC000833060785 602186284 /nfs/dbraw/zinc/18/62/84/602186284.db2.gz WKEDCNHGFYVDOL-LLVKDONJSA-N -1 0 320.349 -0.286 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000739578704 602189264 /nfs/dbraw/zinc/18/92/64/602189264.db2.gz LNFZEEHTMCUCEA-JTQLQIEISA-N -1 0 324.337 -0.473 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)NCC1CCN(C(=O)[O-])CC1 ZINC000740363508 602189565 /nfs/dbraw/zinc/18/95/65/602189565.db2.gz AWWXZHUMCFQPAO-UHFFFAOYSA-N -1 0 324.337 -0.567 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(CC(N)=O)CC1 ZINC000739238489 602189980 /nfs/dbraw/zinc/18/99/80/602189980.db2.gz UOOHXIAIHZUCRE-ONGXEEELSA-N -1 0 300.359 -0.702 20 0 DBADRM CN(CC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)C(=O)[O-] ZINC000739620133 602193134 /nfs/dbraw/zinc/19/31/34/602193134.db2.gz OTATVOQUGGDHDK-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCn1ncnn1 ZINC000380071603 602203165 /nfs/dbraw/zinc/20/31/65/602203165.db2.gz QIYPKGNZPPLILD-UHFFFAOYSA-N -1 0 311.323 -0.342 20 0 DBADRM NC(=O)COCCNS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000230041401 602204593 /nfs/dbraw/zinc/20/45/93/602204593.db2.gz HVQCMQPBHDLTMD-UHFFFAOYSA-N -1 0 316.335 -0.694 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)CC1CCCC1 ZINC000833207791 602204871 /nfs/dbraw/zinc/20/48/71/602204871.db2.gz PNSNWANWCYOISE-JTQLQIEISA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000827292094 602205014 /nfs/dbraw/zinc/20/50/14/602205014.db2.gz OXLCDQSJHHDDGF-KXUCPTDWSA-N -1 0 306.384 -0.069 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc3nonc32)CCO1 ZINC000760119829 602206839 /nfs/dbraw/zinc/20/68/39/602206839.db2.gz XQPWQHPRZGRBAM-MRVPVSSYSA-N -1 0 313.291 -0.303 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1cccc2nonc21)C(=O)[O-] ZINC000829958565 602210062 /nfs/dbraw/zinc/21/00/62/602210062.db2.gz NDVBYHQKKAXJBB-NSHDSACASA-N -1 0 315.307 -0.009 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCNC1=O ZINC000739228821 602213604 /nfs/dbraw/zinc/21/36/04/602213604.db2.gz FPKKLWHGAXNZMW-CBAPKCEASA-N -1 0 301.299 -0.236 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)N1CCNC1=O ZINC000739228823 602213606 /nfs/dbraw/zinc/21/36/06/602213606.db2.gz FPKKLWHGAXNZMW-VXNVDRBHSA-N -1 0 301.299 -0.236 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)OCCN1C(=O)CNC1=O ZINC000739237641 602213980 /nfs/dbraw/zinc/21/39/80/602213980.db2.gz TYKXIVSGKOXKHT-CBAPKCEASA-N -1 0 301.299 -0.236 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CCCN(C(=O)[O-])CC1 ZINC000737887265 602223507 /nfs/dbraw/zinc/22/35/07/602223507.db2.gz JWOLCIQLDZCDAJ-UHFFFAOYSA-N -1 0 307.372 -0.184 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739517393 602223988 /nfs/dbraw/zinc/22/39/88/602223988.db2.gz SZSRFVMFANAIHR-VIFPVBQESA-N -1 0 307.372 -0.280 20 0 DBADRM C[C@@H](CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1)[S@](C)=O ZINC000229786166 602226825 /nfs/dbraw/zinc/22/68/25/602226825.db2.gz UOTFYXBJUSCKIE-RLBGWGEZSA-N -1 0 323.396 -0.597 20 0 DBADRM CS(=O)(=O)CCNC(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000739983383 602227017 /nfs/dbraw/zinc/22/70/17/602227017.db2.gz LCVAWPWHKLQVNX-SECBINFHSA-N -1 0 307.372 -0.280 20 0 DBADRM C[C@H](CCNS(=O)(=O)N(C)CCC(=O)[O-])[S@@](C)=O ZINC000229787225 602227345 /nfs/dbraw/zinc/22/73/45/602227345.db2.gz YYKBSCZNQTZRPR-CQLKUDPESA-N -1 0 300.402 -0.616 20 0 DBADRM O=C(CN1CCCS1(=O)=O)O[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740366844 602232462 /nfs/dbraw/zinc/23/24/62/602232462.db2.gz ATHAOEWRSPDHGL-SECBINFHSA-N -1 0 306.340 -0.293 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)CNC(=O)c2cccnc2)n1 ZINC000833273669 602245845 /nfs/dbraw/zinc/24/58/45/602245845.db2.gz BNTXKRPSKRBAPM-UHFFFAOYSA-N -1 0 303.278 -0.269 20 0 DBADRM COC(=O)[C@@H](C)NC(=O)c1cc(C(=O)N[C@H](C)C(=O)[O-])ccn1 ZINC000831215057 602249198 /nfs/dbraw/zinc/24/91/98/602249198.db2.gz JCZZUDWMWRFEHK-HTQZYQBOSA-N -1 0 323.305 -0.424 20 0 DBADRM C[C@@H](NC(=O)CSc1nnnn1CC(F)(F)F)C(=O)[O-] ZINC000737682791 602249540 /nfs/dbraw/zinc/24/95/40/602249540.db2.gz DSLKTOQFRWTVPN-SCSAIBSYSA-N -1 0 313.261 -0.083 20 0 DBADRM CN1CCO[C@@H]2CN(CC(=O)N3CCC(C(=O)[O-])CC3)C[C@@H]21 ZINC000830966093 602260958 /nfs/dbraw/zinc/26/09/58/602260958.db2.gz XOYMEKUXVJCVTM-QWHCGFSZSA-N -1 0 311.382 -0.676 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000833014746 602268750 /nfs/dbraw/zinc/26/87/50/602268750.db2.gz WURBMAAIATUVHU-SECBINFHSA-N -1 0 313.310 -0.452 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)O[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000827324323 602275383 /nfs/dbraw/zinc/27/53/83/602275383.db2.gz CVVDKGOBZPZEPY-BBBLOLIVSA-N -1 0 314.338 -0.247 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)OCC(=O)NCC(=O)NC(C)(C)C ZINC000827334191 602279941 /nfs/dbraw/zinc/27/99/41/602279941.db2.gz RPTNBECWCCOUSC-MRVPVSSYSA-N -1 0 302.327 -0.329 20 0 DBADRM CC1(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CCOCC1 ZINC000739064619 602288482 /nfs/dbraw/zinc/28/84/82/602288482.db2.gz QRPCYEITRNOUBC-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000818213663 602298283 /nfs/dbraw/zinc/29/82/83/602298283.db2.gz OSNXLRZCWQQZQU-UWVGGRQHSA-N -1 0 314.342 -0.715 20 0 DBADRM CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCN(C)C(=O)[O-] ZINC000739372074 602298784 /nfs/dbraw/zinc/29/87/84/602298784.db2.gz GOHLVDXIZXGCTN-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)NCCN(C)C(=O)[O-])CC1 ZINC000739517236 602299969 /nfs/dbraw/zinc/29/99/69/602299969.db2.gz KVTVXZLEOPXEDE-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000739687643 602300235 /nfs/dbraw/zinc/30/02/35/602300235.db2.gz DZOZSGAAWMSPQD-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCCN(C)C(=O)[O-])o1 ZINC000739752816 602302179 /nfs/dbraw/zinc/30/21/79/602302179.db2.gz PLWDMDXQIRXEGE-UHFFFAOYSA-N -1 0 305.312 -0.473 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)Cc2ccc(O)cc2)CC1 ZINC000738483075 602304122 /nfs/dbraw/zinc/30/41/22/602304122.db2.gz QALIMTHJTQOSRF-UHFFFAOYSA-N -1 0 321.333 -0.127 20 0 DBADRM CN(CC(=O)NC(C)(C)CNC(=O)[O-])c1ncnc2nc[nH]c21 ZINC000739621753 602306210 /nfs/dbraw/zinc/30/62/10/602306210.db2.gz NDSROQIGIFGBLN-UHFFFAOYSA-N -1 0 321.341 -0.049 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000738751663 602307960 /nfs/dbraw/zinc/30/79/60/602307960.db2.gz JHTGYHOFOLCKEO-UHFFFAOYSA-N -1 0 320.305 -0.008 20 0 DBADRM CCN(CCNC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000739423420 602316013 /nfs/dbraw/zinc/31/60/13/602316013.db2.gz HBADAJOATNGUTP-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM O=C([O-])NCCNC(=O)NCC(=O)NCCc1ccccc1 ZINC000740662460 602322172 /nfs/dbraw/zinc/32/21/72/602322172.db2.gz IZSUFCSPXYBMJV-UHFFFAOYSA-N -1 0 308.338 -0.088 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000738997681 602325950 /nfs/dbraw/zinc/32/59/50/602325950.db2.gz UUXBLQXWBAYMDL-MRVPVSSYSA-N -1 0 315.351 -0.253 20 0 DBADRM NS(=O)(=O)Cc1cccc(CNC(=O)CCNC(=O)[O-])c1 ZINC000738444162 602326180 /nfs/dbraw/zinc/32/61/80/602326180.db2.gz ASLBPKPMHZJMHM-UHFFFAOYSA-N -1 0 315.351 -0.251 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000827422018 602330099 /nfs/dbraw/zinc/33/00/99/602330099.db2.gz IDFYTJBUEJLYBC-ZETCQYMHSA-N -1 0 324.380 -0.186 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000827421929 602330111 /nfs/dbraw/zinc/33/01/11/602330111.db2.gz FOHAKYZWCBSXDE-HTQZYQBOSA-N -1 0 301.386 -0.550 20 0 DBADRM Cn1ccnc1CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740297057 602332222 /nfs/dbraw/zinc/33/22/22/602332222.db2.gz TZTDQPXBYIAIPS-UHFFFAOYSA-N -1 0 324.341 -0.959 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cnn(-c2cccnc2)c1 ZINC000831170396 602341312 /nfs/dbraw/zinc/34/13/12/602341312.db2.gz MMUQOWBHBWTKMX-UHFFFAOYSA-N -1 0 318.289 -0.033 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000736365691 602345028 /nfs/dbraw/zinc/34/50/28/602345028.db2.gz RXMTWHYRNPMHBQ-LBPRGKRZSA-N -1 0 314.386 -0.489 20 0 DBADRM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCNC(=O)[O-] ZINC000739375848 602347334 /nfs/dbraw/zinc/34/73/34/602347334.db2.gz ZBMREHXYRDBPEO-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCCCNC(=O)[O-])cc1 ZINC000739753327 602349135 /nfs/dbraw/zinc/34/91/35/602349135.db2.gz SSCPRIMWZVIRKN-UHFFFAOYSA-N -1 0 315.351 -0.018 20 0 DBADRM O=C([O-])NCCCNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000740653914 602352163 /nfs/dbraw/zinc/35/21/63/602352163.db2.gz YXRYSLINNSWALL-UWVGGRQHSA-N -1 0 311.338 -0.065 20 0 DBADRM CC(C)N(CCCNC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)[O-] ZINC000738849593 602356951 /nfs/dbraw/zinc/35/69/51/602356951.db2.gz JCOFUERPKLLRFX-SECBINFHSA-N -1 0 314.342 -0.131 20 0 DBADRM CN(CC1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1)C(=O)[O-] ZINC000739658140 602368059 /nfs/dbraw/zinc/36/80/59/602368059.db2.gz SVHAADHEQGWVPH-UHFFFAOYSA-N -1 0 324.337 -0.052 20 0 DBADRM CN(CC(=O)c1cccn1C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739634434 602375919 /nfs/dbraw/zinc/37/59/19/602375919.db2.gz GVMAASGYFMMPQI-UHFFFAOYSA-N -1 0 322.365 -0.038 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCCC(=O)N1CCOCC1 ZINC000740414525 602377176 /nfs/dbraw/zinc/37/71/76/602377176.db2.gz FRPNCZGYOJHYPF-SECBINFHSA-N -1 0 317.367 -0.596 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000739310791 602393491 /nfs/dbraw/zinc/39/34/91/602393491.db2.gz FITITWGRUBIRHT-ZJUUUORDSA-N -1 0 321.399 -0.037 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000736366503 602393630 /nfs/dbraw/zinc/39/36/30/602393630.db2.gz XWYCTOZFFJXJTD-ZJUUUORDSA-N -1 0 321.399 -0.181 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000739524519 602393898 /nfs/dbraw/zinc/39/38/98/602393898.db2.gz NTUDNWMFRUOZDB-IUCAKERBSA-N -1 0 307.372 -0.427 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCCNC(=O)c1cccnc1 ZINC000740438326 602396444 /nfs/dbraw/zinc/39/64/44/602396444.db2.gz CSXWYNRCOQHHJU-SNVBAGLBSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C(CN1CCCS1(=O)=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000740367857 602418892 /nfs/dbraw/zinc/41/88/92/602418892.db2.gz HDWGJDKMGNJCQU-JTQLQIEISA-N -1 0 319.383 -0.472 20 0 DBADRM O=C(CN1CCCS1(=O)=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000740367858 602418990 /nfs/dbraw/zinc/41/89/90/602418990.db2.gz HDWGJDKMGNJCQU-SNVBAGLBSA-N -1 0 319.383 -0.472 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000740018570 602423952 /nfs/dbraw/zinc/42/39/52/602423952.db2.gz RZUIWPIFSOGNQD-WDEREUQCSA-N -1 0 319.427 -0.099 20 0 DBADRM CCN(CCCNC(=S)NCCS(C)(=O)=O)C(=O)[O-] ZINC000739422056 602430154 /nfs/dbraw/zinc/43/01/54/602430154.db2.gz UDUCTIMYNSCUMC-UHFFFAOYSA-N -1 0 311.429 -0.115 20 0 DBADRM CCN(CCNC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC000739433010 602439887 /nfs/dbraw/zinc/43/98/87/602439887.db2.gz UUEHYTUJZQZHFH-UHFFFAOYSA-N -1 0 324.403 -0.433 20 0 DBADRM CN(CCNC(=O)NCC(=O)NCC(F)(F)F)C(=O)[O-] ZINC000739694141 602440749 /nfs/dbraw/zinc/44/07/49/602440749.db2.gz JVGLGAQCGIENEB-UHFFFAOYSA-N -1 0 300.237 -0.426 20 0 DBADRM CN(CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC000739691046 602444256 /nfs/dbraw/zinc/44/42/56/602444256.db2.gz GFJFQEIPNLWYFB-VIFPVBQESA-N -1 0 322.387 -0.681 20 0 DBADRM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)N2CCNC(=O)C2)CC1 ZINC000739025496 602447636 /nfs/dbraw/zinc/44/76/36/602447636.db2.gz KFOZXONUDKVOBN-SNVBAGLBSA-N -1 0 312.370 -0.687 20 0 DBADRM C[C@H](NC(=O)[O-])C1CCN(CC(=O)N2CCNC(=O)C2)CC1 ZINC000739025495 602447735 /nfs/dbraw/zinc/44/77/35/602447735.db2.gz KFOZXONUDKVOBN-JTQLQIEISA-N -1 0 312.370 -0.687 20 0 DBADRM O=C([O-])NC[C@@H]1CCCCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC000740625077 602450273 /nfs/dbraw/zinc/45/02/73/602450273.db2.gz UBIDPIIHOJQCIB-JTQLQIEISA-N -1 0 324.337 -0.425 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000739037279 602459693 /nfs/dbraw/zinc/45/96/93/602459693.db2.gz GYEXAOPUXDLFPC-RKDXNWHRSA-N -1 0 321.399 -0.181 20 0 DBADRM COCCCN(C(=O)[C@@H](C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739810269 602464097 /nfs/dbraw/zinc/46/40/97/602464097.db2.gz JXBOOJAETLBBOV-ZJUUUORDSA-N -1 0 322.383 -0.305 20 0 DBADRM NC(=O)CN1CCN(C(=O)[C@H](NC(=O)[O-])c2ccccc2)CC1 ZINC000740334202 602465850 /nfs/dbraw/zinc/46/58/50/602465850.db2.gz KXKBPGZKCOCPRV-CYBMUJFWSA-N -1 0 320.349 -0.375 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739991800 602471224 /nfs/dbraw/zinc/47/12/24/602471224.db2.gz NQKBKSLACHCOFJ-DTWKUNHWSA-N -1 0 305.356 -0.721 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000739193340 602476242 /nfs/dbraw/zinc/47/62/42/602476242.db2.gz YQUQGUKQGAKNHN-NXEZZACHSA-N -1 0 303.384 -0.124 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739990543 602477556 /nfs/dbraw/zinc/47/75/56/602477556.db2.gz HANVWAXDHQXBFA-VHSXEESVSA-N -1 0 319.383 -0.331 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739990540 602477568 /nfs/dbraw/zinc/47/75/68/602477568.db2.gz HANVWAXDHQXBFA-NXEZZACHSA-N -1 0 319.383 -0.331 20 0 DBADRM CCn1nc(C(=O)NCCN2CCN(C(=O)[O-])CC2)ccc1=O ZINC000739572460 602493002 /nfs/dbraw/zinc/49/30/02/602493002.db2.gz IJZARWRMVOMEJC-UHFFFAOYSA-N -1 0 323.353 -0.711 20 0 DBADRM CCS(=O)(=O)CC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739516173 602497066 /nfs/dbraw/zinc/49/70/66/602497066.db2.gz PPWXKODHPOAOKM-UHFFFAOYSA-N -1 0 321.399 -0.825 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)C(=O)c1cnn(C)c1 ZINC000739681647 602498445 /nfs/dbraw/zinc/49/84/45/602498445.db2.gz IZHLIHAMNSHWOH-UHFFFAOYSA-N -1 0 323.353 -0.643 20 0 DBADRM C[C@](CNC(=O)[O-])(NC(=O)CN1CCCS1(=O)=O)C1CC1 ZINC000738923794 602503648 /nfs/dbraw/zinc/50/36/48/602503648.db2.gz GHGJVHINSMBHNS-GFCCVEGCSA-N -1 0 319.383 -0.426 20 0 DBADRM C[C@](CNC(=O)[O-])(NC(=O)CC[C@H]1NC(=O)NC1=O)C1CC1 ZINC000738926677 602505856 /nfs/dbraw/zinc/50/58/56/602505856.db2.gz QZQIGCQHRUOPRL-AMIZOPFISA-N -1 0 312.326 -0.473 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)[O-])CCO1 ZINC000739757487 602513239 /nfs/dbraw/zinc/51/32/39/602513239.db2.gz XVZSEJQOILBGPU-VHSXEESVSA-N -1 0 300.311 -0.081 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCCN2C(=O)[O-])CCO1 ZINC000739757490 602513242 /nfs/dbraw/zinc/51/32/42/602513242.db2.gz XVZSEJQOILBGPU-ZJUUUORDSA-N -1 0 300.311 -0.081 20 0 DBADRM O=C([O-])NCC1(NC(=O)CC[C@@H]2NC(=O)NC2=O)CCCC1 ZINC000740616249 602520130 /nfs/dbraw/zinc/52/01/30/602520130.db2.gz URCGZNSSZZVOJU-QMMMGPOBSA-N -1 0 312.326 -0.329 20 0 DBADRM Cn1cc(C(=O)NC2(CNC(=O)[O-])CCCC2)c(=O)[nH]c1=O ZINC000740282224 602520431 /nfs/dbraw/zinc/52/04/31/602520431.db2.gz ZRLFGWFXDWWOAM-UHFFFAOYSA-N -1 0 310.310 -0.204 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000738927559 602524129 /nfs/dbraw/zinc/52/41/29/602524129.db2.gz GRJSMBHFTSENGU-ZETCQYMHSA-N -1 0 323.313 -0.098 20 0 DBADRM C[C@@H](NC(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1)C(=O)N(C)C ZINC000738962505 602528649 /nfs/dbraw/zinc/52/86/49/602528649.db2.gz RUJYYBBUIPHNEN-MNOVXSKESA-N -1 0 314.386 -0.489 20 0 DBADRM C[C@@H](NC(=O)CN1CCC(N(C)C(=O)[O-])CC1)C(=O)N(C)C ZINC000737682173 602534833 /nfs/dbraw/zinc/53/48/33/602534833.db2.gz CBFGBLVYJINJPG-SNVBAGLBSA-N -1 0 314.386 -0.347 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)o1 ZINC000739751404 602537274 /nfs/dbraw/zinc/53/72/74/602537274.db2.gz DUVZFMHHWHQMCL-SSDOTTSWSA-N -1 0 317.323 -0.330 20 0 DBADRM O=C([O-])N1CCCC[C@@H]1C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000740729848 602553118 /nfs/dbraw/zinc/55/31/18/602553118.db2.gz IJEALDNKEHXODO-SECBINFHSA-N -1 0 313.310 -0.980 20 0 DBADRM CN1CCO[C@H](CNC(=O)N2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000738019806 602554531 /nfs/dbraw/zinc/55/45/31/602554531.db2.gz AIQYLEUVXAOAHY-GHMZBOCLSA-N -1 0 300.359 -0.241 20 0 DBADRM CN1CCO[C@@H](CNC(=O)N2CCCN(C(=O)[O-])CC2)C1 ZINC000738022027 602554604 /nfs/dbraw/zinc/55/46/04/602554604.db2.gz KVHDRTBQJKNPOM-NSHDSACASA-N -1 0 300.359 -0.288 20 0 DBADRM CN1CCO[C@H](CNC(=O)N2CCC(NC(=O)[O-])CC2)C1 ZINC000739745534 602555691 /nfs/dbraw/zinc/55/56/91/602555691.db2.gz XLOFSXNACYLHHS-LLVKDONJSA-N -1 0 300.359 -0.241 20 0 DBADRM COC(=O)C1CCN(C(=O)CN(C)[C@@H](C)CNC(=O)[O-])CC1 ZINC000739755476 602562869 /nfs/dbraw/zinc/56/28/69/602562869.db2.gz INEPFTXQNUHLCV-JTQLQIEISA-N -1 0 315.370 -0.014 20 0 DBADRM COCCN(C)S(=O)(=O)NCCCN(C(=O)[O-])C1CC1 ZINC000739812525 602563124 /nfs/dbraw/zinc/56/31/24/602563124.db2.gz HESNLWMQHBXAJH-UHFFFAOYSA-N -1 0 309.388 -0.069 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)NCCN(C)C(=O)[O-])CC1 ZINC000739749086 602574208 /nfs/dbraw/zinc/57/42/08/602574208.db2.gz GOBALKIXRTYJDG-UHFFFAOYSA-N -1 0 322.387 -0.681 20 0 DBADRM CN(C[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1)C(=O)[O-] ZINC000739644883 602575187 /nfs/dbraw/zinc/57/51/87/602575187.db2.gz QZQWTIBFBDKJPH-SNVBAGLBSA-N -1 0 324.337 -0.615 20 0 DBADRM C[C@H](C(=O)N(C)CCN1CCN(C(=O)[O-])CC1)n1cncn1 ZINC000738599349 602575741 /nfs/dbraw/zinc/57/57/41/602575741.db2.gz FBEHNGDDZPUAFY-LLVKDONJSA-N -1 0 310.358 -0.407 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[O-])o1 ZINC000740340826 602579034 /nfs/dbraw/zinc/57/90/34/602579034.db2.gz MVMHZFISJHJLNU-ZETCQYMHSA-N -1 0 317.323 -0.201 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000738859020 602583130 /nfs/dbraw/zinc/58/31/30/602583130.db2.gz FYQZUHRUQWUXGZ-VIFPVBQESA-N -1 0 322.387 -0.634 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000739989412 602585378 /nfs/dbraw/zinc/58/53/78/602585378.db2.gz BCXJTZFNRWVGGQ-VHSXEESVSA-N -1 0 319.383 -0.331 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739515610 602586560 /nfs/dbraw/zinc/58/65/60/602586560.db2.gz NYEJKDZKPDIZMF-SECBINFHSA-N -1 0 322.387 -0.633 20 0 DBADRM O=C(CN1CCCS1(=O)=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000740370133 602587753 /nfs/dbraw/zinc/58/77/53/602587753.db2.gz WLXOQZVRPJPHKW-SECBINFHSA-N -1 0 305.356 -0.720 20 0 DBADRM Cc1nc(C(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)c[nH]1 ZINC000740207536 602589099 /nfs/dbraw/zinc/58/90/99/602589099.db2.gz NRDIGEGAMHKCKF-UHFFFAOYSA-N -1 0 309.326 -0.388 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)c1cncc(O)c1 ZINC000739620906 602589206 /nfs/dbraw/zinc/58/92/06/602589206.db2.gz RWBCHIBXQFNYPP-UHFFFAOYSA-N -1 0 322.321 -0.319 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000739576654 602590726 /nfs/dbraw/zinc/59/07/26/602590726.db2.gz DLQOVQDOHZSXGD-SECBINFHSA-N -1 0 312.326 -0.471 20 0 DBADRM CN(CC1CCN(C(=O)CN2CC(=O)NC2=O)CC1)C(=O)[O-] ZINC000739642670 602591580 /nfs/dbraw/zinc/59/15/80/602591580.db2.gz BMMHGSHMSZLKRP-UHFFFAOYSA-N -1 0 312.326 -0.613 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000740369148 602592775 /nfs/dbraw/zinc/59/27/75/602592775.db2.gz PJPSMXAUHGIMJC-VIFPVBQESA-N -1 0 312.326 -0.566 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000740421354 602596642 /nfs/dbraw/zinc/59/66/42/602596642.db2.gz YXUJADTYOPYSDB-NXEZZACHSA-N -1 0 319.383 -0.137 20 0 DBADRM CCS(=O)(=O)CCNC(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000739514754 602600568 /nfs/dbraw/zinc/60/05/68/602600568.db2.gz JJCZBUQMHXVLAW-VIFPVBQESA-N -1 0 307.372 -0.137 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)NCCN2CCOCC2)C1)C(=O)[O-] ZINC000739650235 602608353 /nfs/dbraw/zinc/60/83/53/602608353.db2.gz NELSQEXTLHPUDT-LBPRGKRZSA-N -1 0 314.386 -0.040 20 0 DBADRM CN(C[C@H]1CCN(C(=O)NCCN2CCOCC2)C1)C(=O)[O-] ZINC000739650231 602608382 /nfs/dbraw/zinc/60/83/82/602608382.db2.gz NELSQEXTLHPUDT-GFCCVEGCSA-N -1 0 314.386 -0.040 20 0 DBADRM CCN(CCNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739425077 602635554 /nfs/dbraw/zinc/63/55/54/602635554.db2.gz KKKVTQJHEAXTAB-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000738927480 602613941 /nfs/dbraw/zinc/61/39/41/602613941.db2.gz NLSVZZRNAMPIPH-RKDXNWHRSA-N -1 0 307.372 -0.281 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)NCCCN(C)S(C)(=O)=O ZINC000738929234 602617427 /nfs/dbraw/zinc/61/74/27/602617427.db2.gz ROGSTIJMRUHACY-VIFPVBQESA-N -1 0 324.403 -0.435 20 0 DBADRM CC[C@](C)(O)CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739217422 602621532 /nfs/dbraw/zinc/62/15/32/602621532.db2.gz DHPSHNOFCPFGRT-ZDUSSCGKSA-N -1 0 316.358 -0.731 20 0 DBADRM Cn1cc(C(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000740285191 602628828 /nfs/dbraw/zinc/62/88/28/602628828.db2.gz VVXGRCCVRQTAAC-SECBINFHSA-N -1 0 324.337 -0.004 20 0 DBADRM CN(CCN1CCOCC1)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739687956 602632999 /nfs/dbraw/zinc/63/29/99/602632999.db2.gz UDQJYJRXOVWONL-NSHDSACASA-N -1 0 300.359 -0.288 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NC[C@@H](O)COCC2CC2)C1 ZINC000740404005 602633365 /nfs/dbraw/zinc/63/33/65/602633365.db2.gz GVBLMLMTNFYICR-GHMZBOCLSA-N -1 0 301.343 -0.175 20 0 DBADRM COCCN1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739835591 602635270 /nfs/dbraw/zinc/63/52/70/602635270.db2.gz VDBCTQPTKZGBFF-LLVKDONJSA-N -1 0 300.359 -0.288 20 0 DBADRM CN(C(=O)N[C@@H]1CCN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000739578180 602635448 /nfs/dbraw/zinc/63/54/48/602635448.db2.gz XKGKBJSURPAKDO-RKDXNWHRSA-N -1 0 305.356 -0.433 20 0 DBADRM CC(C)N(CCC(=O)NCCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000738842217 602639307 /nfs/dbraw/zinc/63/93/07/602639307.db2.gz MLDUBRZDTZYPDG-UHFFFAOYSA-N -1 0 314.342 -0.177 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NCCCN1C(=O)CNC1=O ZINC000740429660 602640253 /nfs/dbraw/zinc/64/02/53/602640253.db2.gz JUOAGISQMLQQRC-ZETCQYMHSA-N -1 0 316.339 -0.903 20 0 DBADRM O=C(Cn1ccc(=O)[nH]c1=O)NCC[C@H]1CCCN(C(=O)[O-])C1 ZINC000740387305 602642373 /nfs/dbraw/zinc/64/23/73/602642373.db2.gz DVPZFKKOXLCOHS-SNVBAGLBSA-N -1 0 324.337 -0.155 20 0 DBADRM COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000739916076 602648627 /nfs/dbraw/zinc/64/86/27/602648627.db2.gz QFNLVWVHSGXHTO-SECBINFHSA-N -1 0 308.294 -0.103 20 0 DBADRM COc1ccncc1NC(=O)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739984622 602649203 /nfs/dbraw/zinc/64/92/03/602649203.db2.gz LWMLGYDVBXXIAP-QMMMGPOBSA-N -1 0 308.294 -0.103 20 0 DBADRM CN(CCCNC(=O)NCCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000739673101 602655477 /nfs/dbraw/zinc/65/54/77/602655477.db2.gz IOTDSMPACDESIX-UHFFFAOYSA-N -1 0 315.330 -0.773 20 0 DBADRM CN(C)C(=O)C1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000739595816 602658072 /nfs/dbraw/zinc/65/80/72/602658072.db2.gz IVWPTUBEPIZTNY-UHFFFAOYSA-N -1 0 301.343 -0.403 20 0 DBADRM Cc1cc(NC(=O)CN(C)C(=O)COCCNC(=O)[O-])no1 ZINC000740084499 602659002 /nfs/dbraw/zinc/65/90/02/602659002.db2.gz PFFYJLBOZDODOP-UHFFFAOYSA-N -1 0 314.298 -0.336 20 0 DBADRM CN(CCOC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)[O-] ZINC000738002017 602661216 /nfs/dbraw/zinc/66/12/16/602661216.db2.gz KNOIEKPNEGFTNC-ZDUSSCGKSA-N -1 0 313.310 -0.140 20 0 DBADRM NC(=O)NC[C@H]1CCCN(C(=O)COCCNC(=O)[O-])C1 ZINC000740331068 602661273 /nfs/dbraw/zinc/66/12/73/602661273.db2.gz CYGWLRSZPAVQTF-SECBINFHSA-N -1 0 302.331 -0.823 20 0 DBADRM NC(=O)NC[C@H]1CCCCN1C(=O)COCCNC(=O)[O-] ZINC000740333240 602664603 /nfs/dbraw/zinc/66/46/03/602664603.db2.gz RLUCJZTVHIGTQQ-SECBINFHSA-N -1 0 302.331 -0.680 20 0 DBADRM COC(=O)CSCCNC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739764283 602667321 /nfs/dbraw/zinc/66/73/21/602667321.db2.gz IUPLBPJRAHNAJM-UHFFFAOYSA-N -1 0 305.356 -0.102 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000740663119 602667595 /nfs/dbraw/zinc/66/75/95/602667595.db2.gz FOWXMDPJCVJPJF-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])NCCCNC(=O)NCCCN1C(=O)CCC1=O ZINC000740651116 602679510 /nfs/dbraw/zinc/67/95/10/602679510.db2.gz FKSMQUBOFPNQST-UHFFFAOYSA-N -1 0 300.315 -0.518 20 0 DBADRM CN(CCNC(=O)N1CCN(Cc2nccn2C)CC1)C(=O)[O-] ZINC000739693247 602680406 /nfs/dbraw/zinc/68/04/06/602680406.db2.gz VDMBRKCSVRQFLC-UHFFFAOYSA-N -1 0 324.385 -0.143 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)O[C@@H]2CCN(C(=O)[O-])C2)nn1 ZINC000739595168 602680818 /nfs/dbraw/zinc/68/08/18/602680818.db2.gz BFPOFROHIJKCCI-MRVPVSSYSA-N -1 0 311.298 -0.725 20 0 DBADRM CSC[C@@H](C)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739997550 602685380 /nfs/dbraw/zinc/68/53/80/602685380.db2.gz JBIYEHWVUPNNJU-SECBINFHSA-N -1 0 303.384 -0.076 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000738444086 602689720 /nfs/dbraw/zinc/68/97/20/602689720.db2.gz ABAVVLWVPOIEKL-RKDXNWHRSA-N -1 0 305.356 -0.734 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000739288768 602689828 /nfs/dbraw/zinc/68/98/28/602689828.db2.gz GZEOCETXZAKAFD-KWQFWETISA-N -1 0 307.372 -0.298 20 0 DBADRM O=C([O-])NCc1nc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000740683838 602696853 /nfs/dbraw/zinc/69/68/53/602696853.db2.gz LAAXWSFIBXCQQI-ZCFIWIBFSA-N -1 0 319.364 -0.172 20 0 DBADRM CS(=O)(=O)CCNC(=O)c1csc(CNC(=O)[O-])n1 ZINC000739984161 602700364 /nfs/dbraw/zinc/70/03/64/602700364.db2.gz OOLNZRFNWQDFGP-UHFFFAOYSA-N -1 0 307.353 -0.315 20 0 DBADRM CS(=O)(=O)CCNC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000739985881 602713623 /nfs/dbraw/zinc/71/36/23/602713623.db2.gz ZNJZNAZVXRYBLE-SECBINFHSA-N -1 0 307.372 -0.280 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000739148239 602716129 /nfs/dbraw/zinc/71/61/29/602716129.db2.gz JGXSNZPJMFXRML-MRVPVSSYSA-N -1 0 312.326 -0.473 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)CN1CCCS1(=O)=O ZINC000739148220 602719142 /nfs/dbraw/zinc/71/91/42/602719142.db2.gz ITQXLRWBHAGHLH-VIFPVBQESA-N -1 0 305.356 -0.767 20 0 DBADRM CS(=O)(=O)NCCOC(=O)c1csc(CNC(=O)[O-])n1 ZINC000739998519 602721621 /nfs/dbraw/zinc/72/16/21/602721621.db2.gz YJYZEENKYDIDSX-UHFFFAOYSA-N -1 0 323.352 -0.383 20 0 DBADRM CCNC(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000739465481 602723828 /nfs/dbraw/zinc/72/38/28/602723828.db2.gz USZREVTVYQWAJS-SECBINFHSA-N -1 0 316.383 -0.087 20 0 DBADRM CN(C)C(=O)CNC(=S)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000739597314 602725604 /nfs/dbraw/zinc/72/56/04/602725604.db2.gz QOJULMOQNQIIRO-SECBINFHSA-N -1 0 302.400 -0.071 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000737123179 602728622 /nfs/dbraw/zinc/72/86/22/602728622.db2.gz WFESZHKMYIYGPR-SECBINFHSA-N -1 0 309.388 -0.276 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CCCCN1C(=O)[O-])NS(C)(=O)=O ZINC000738747232 602729496 /nfs/dbraw/zinc/72/94/96/602729496.db2.gz PANZPPPORNCCSK-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)CS(=O)(=O)NC(C)(C)C ZINC000739147892 602731010 /nfs/dbraw/zinc/73/10/10/602731010.db2.gz HPJPNDNKTGPSQY-VIFPVBQESA-N -1 0 321.399 -0.085 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000738994514 602733267 /nfs/dbraw/zinc/73/32/67/602733267.db2.gz KUUHYGBKVISFSG-SECBINFHSA-N -1 0 300.359 -0.689 20 0 DBADRM CC1(CNC(=O)NCCN2CCN(C(=O)[O-])CC2)COC1 ZINC000739068798 602740369 /nfs/dbraw/zinc/74/03/69/602740369.db2.gz IEOBKHPAVPBVOS-UHFFFAOYSA-N -1 0 300.359 -0.382 20 0 DBADRM O=C([O-])N1CCN(CCNS(=O)(=O)C[C@H]2CCOC2)CC1 ZINC000740526844 602741970 /nfs/dbraw/zinc/74/19/70/602741970.db2.gz MUVAFYKDKSESNW-NSHDSACASA-N -1 0 321.399 -0.762 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000739151681 602745876 /nfs/dbraw/zinc/74/58/76/602745876.db2.gz IERXSDJCVJTMMX-NXEZZACHSA-N -1 0 319.383 -0.185 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)NCCCS(C)(=O)=O ZINC000739151648 602748200 /nfs/dbraw/zinc/74/82/00/602748200.db2.gz HYRBTQSSSJIFLY-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCC(NC(=O)[O-])CC1 ZINC000739464259 602750365 /nfs/dbraw/zinc/75/03/65/602750365.db2.gz CCJSOGXUMSPXKP-UHFFFAOYSA-N -1 0 322.387 -0.633 20 0 DBADRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC000740620070 602762634 /nfs/dbraw/zinc/76/26/34/602762634.db2.gz GNJZHRPMNQZBAR-NXEZZACHSA-N -1 0 319.383 -0.426 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739476301 602767115 /nfs/dbraw/zinc/76/71/15/602767115.db2.gz RHWWDUUYWWOPRK-WDEREUQCSA-N -1 0 315.370 -0.014 20 0 DBADRM C[C@@H](CC(=O)Nc1ccc(C(=O)NCC(N)=O)cc1)NC(=O)[O-] ZINC000824687065 602772794 /nfs/dbraw/zinc/77/27/94/602772794.db2.gz ULNDHYVQTVYNFH-QMMMGPOBSA-N -1 0 322.321 -0.114 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000740008039 602776354 /nfs/dbraw/zinc/77/63/54/602776354.db2.gz YCSXEJVRMAXGPD-NRFANRHFSA-N -1 0 314.323 -0.395 20 0 DBADRM C[C@](CNC(=O)[O-])(NC(=O)CCn1cc[nH]c(=O)c1=O)C1CC1 ZINC000738925497 602789283 /nfs/dbraw/zinc/78/92/83/602789283.db2.gz OKIWAFQMJADJQF-CQSZACIVSA-N -1 0 324.337 -0.521 20 0 DBADRM O=C([O-])NCC1(NC(=O)CCn2cc[nH]c(=O)c2=O)CCCC1 ZINC000740615945 602791148 /nfs/dbraw/zinc/79/11/48/602791148.db2.gz QYKJOTOQTSXVDF-UHFFFAOYSA-N -1 0 324.337 -0.377 20 0 DBADRM C[C@H](NC(=O)c1cn(CC(N)=O)nn1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825466573 602801084 /nfs/dbraw/zinc/80/10/84/602801084.db2.gz TVFXHOPVPWXXCK-DTWKUNHWSA-N -1 0 324.341 -0.728 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739981981 602803469 /nfs/dbraw/zinc/80/34/69/602803469.db2.gz GKEVFVCIXWNBPQ-MRVPVSSYSA-N -1 0 314.385 -0.907 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NC[C@H](NC(=O)[O-])C(C)C ZINC000739464473 602804463 /nfs/dbraw/zinc/80/44/63/602804463.db2.gz FMNKLHHWBHGDRD-VIFPVBQESA-N -1 0 324.403 -0.483 20 0 DBADRM CC(C)[C@H](CNC(=O)Cn1cnc2c1ncnc2N)NC(=O)[O-] ZINC000738776836 602810343 /nfs/dbraw/zinc/81/03/43/602810343.db2.gz ITSHVDKICAOMCI-QMMMGPOBSA-N -1 0 321.341 -0.183 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000738994833 602810739 /nfs/dbraw/zinc/81/07/39/602810739.db2.gz MWQXKDXXDVSTRC-ZCFIWIBFSA-N -1 0 319.314 -0.255 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])n1 ZINC000739750796 602813939 /nfs/dbraw/zinc/81/39/39/602813939.db2.gz YABORJCQZJFCFW-HTQZYQBOSA-N -1 0 310.314 -0.601 20 0 DBADRM CCN(CC(=O)OCC(=O)NCC(=O)N1CCCC1)C(=O)[O-] ZINC000739398713 602816340 /nfs/dbraw/zinc/81/63/40/602816340.db2.gz HWIUYKSDPHEFLZ-UHFFFAOYSA-N -1 0 315.326 -0.732 20 0 DBADRM CN1CC[C@H](NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)C1=O ZINC000739730006 602818452 /nfs/dbraw/zinc/81/84/52/602818452.db2.gz UXXFVNCSFCEZPX-JTQLQIEISA-N -1 0 312.370 -0.593 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])NCCN1CCOCC1 ZINC000740365074 602823016 /nfs/dbraw/zinc/82/30/16/602823016.db2.gz NZCROTPOAARKDX-GFCCVEGCSA-N -1 0 315.370 -0.406 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCN(c2ncccn2)CC1 ZINC000740349577 602823183 /nfs/dbraw/zinc/82/31/83/602823183.db2.gz NSHFLMSRIMOCNL-LLVKDONJSA-N -1 0 321.337 -0.496 20 0 DBADRM NC(=O)[C@H]1CCCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1 ZINC000740327721 602826973 /nfs/dbraw/zinc/82/69/73/602826973.db2.gz OSWHKAGQZZNPCU-WDEREUQCSA-N -1 0 313.354 -0.131 20 0 DBADRM CN(C)C(=O)C1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739597264 602827350 /nfs/dbraw/zinc/82/73/50/602827350.db2.gz ROZAZDWHJZGBAC-NSHDSACASA-N -1 0 313.354 -0.308 20 0 DBADRM NC(=O)c1ccc(CNC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000740332047 602828449 /nfs/dbraw/zinc/82/84/49/602828449.db2.gz PLWOHFJMAIOUGA-NSHDSACASA-N -1 0 307.306 -0.220 20 0 DBADRM CN(C(=O)[C@@H]1COCCN1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739575625 602829239 /nfs/dbraw/zinc/82/92/39/602829239.db2.gz VZKNKRBYECTNKG-BDAKNGLRSA-N -1 0 306.340 -0.989 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739663433 602834387 /nfs/dbraw/zinc/83/43/87/602834387.db2.gz KZQBTGCIBSYLHO-ZJUUUORDSA-N -1 0 319.383 -0.185 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCNC(=O)c1ccco1 ZINC000740439253 602836847 /nfs/dbraw/zinc/83/68/47/602836847.db2.gz JCRJKRJSWOIDNV-VIFPVBQESA-N -1 0 311.294 -0.496 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCc1nnc2n1CCCCC2 ZINC000740452263 602836885 /nfs/dbraw/zinc/83/68/85/602836885.db2.gz JURTYIOJIJZAAN-SNVBAGLBSA-N -1 0 323.353 -0.001 20 0 DBADRM NC(=O)COc1ccc(NC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000740331782 602838739 /nfs/dbraw/zinc/83/87/39/602838739.db2.gz PJLGPJASAUFQAC-NSHDSACASA-N -1 0 323.305 -0.132 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739599194 602843149 /nfs/dbraw/zinc/84/31/49/602843149.db2.gz GYFQLECKLRTMGX-SNVBAGLBSA-N -1 0 314.342 -0.809 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(C(=O)[O-])CC1 ZINC000737617933 602844229 /nfs/dbraw/zinc/84/42/29/602844229.db2.gz XAYDZCLXGYJHEJ-VIFPVBQESA-N -1 0 307.372 -0.618 20 0 DBADRM NC(=O)c1cc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)cc(C(N)=O)c1 ZINC000740334345 602845319 /nfs/dbraw/zinc/84/53/19/602845319.db2.gz RECALSXNUQXTBH-SSDOTTSWSA-N -1 0 320.305 -0.177 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC(NC(=O)[O-])CC1 ZINC000738798597 602845737 /nfs/dbraw/zinc/84/57/37/602845737.db2.gz UVSJNMHZVXPXBD-JTQLQIEISA-N -1 0 321.399 -0.181 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)NCCN1C(=O)CNC1=O ZINC000739286734 602850945 /nfs/dbraw/zinc/85/09/45/602850945.db2.gz GHMCMVNLDTXRLW-GFCCVEGCSA-N -1 0 300.315 -0.519 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCc1nnc2n1CCCC2 ZINC000740452787 602852833 /nfs/dbraw/zinc/85/28/33/602852833.db2.gz RMDJLIZLBJXJNF-SECBINFHSA-N -1 0 309.326 -0.391 20 0 DBADRM COCCN(CC(=O)N[C@H]1CCC[C@H](C(N)=O)C1)C(=O)[O-] ZINC000739816725 602852857 /nfs/dbraw/zinc/85/28/57/602852857.db2.gz ALMWWPOBAONKCA-UWVGGRQHSA-N -1 0 301.343 -0.227 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCC(=O)N1CCCCC1 ZINC000740415735 602854284 /nfs/dbraw/zinc/85/42/84/602854284.db2.gz IVCICOFJKXRCND-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM CCC(=O)N1CCCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739211290 602858632 /nfs/dbraw/zinc/85/86/32/602858632.db2.gz ORHHFSDFTZOZPP-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM COC1(C(=O)N[C@H](C)CS(C)(=O)=O)CCN(C(=O)[O-])CC1 ZINC000739797912 602859266 /nfs/dbraw/zinc/85/92/66/602859266.db2.gz CPNQGMZYPZACSG-SECBINFHSA-N -1 0 322.383 -0.305 20 0 DBADRM C[C@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])c1nnc2n1CCC2 ZINC000738959426 602859669 /nfs/dbraw/zinc/85/96/69/602859669.db2.gz RXEQOFYYYDHBOP-IUCAKERBSA-N -1 0 309.326 -0.220 20 0 DBADRM C[C@H]1CC(=O)N(CN(C)CC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739071630 602860318 /nfs/dbraw/zinc/86/03/18/602860318.db2.gz BOEBUVYANOCECG-NSHDSACASA-N -1 0 312.370 -0.434 20 0 DBADRM COC(=O)N1CCC(NC(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739769325 602863012 /nfs/dbraw/zinc/86/30/12/602863012.db2.gz BSCNMRCCRISNOR-SNVBAGLBSA-N -1 0 315.326 -0.288 20 0 DBADRM CC(=O)NC[C@H]1CCCN(C(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000738551766 602867757 /nfs/dbraw/zinc/86/77/57/602867757.db2.gz PBRCOMWLCXTKJB-VXGBXAGGSA-N -1 0 313.354 -0.260 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCCN(C(=O)[O-])CC1 ZINC000737862196 602868362 /nfs/dbraw/zinc/86/83/62/602868362.db2.gz NTURAODTLMPWRS-UHFFFAOYSA-N -1 0 308.356 -0.045 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCN(CC(F)F)CC1 ZINC000740346660 602870730 /nfs/dbraw/zinc/87/07/30/602870730.db2.gz GIOWJDCWXZGDTD-VIFPVBQESA-N -1 0 307.297 -0.226 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000739476709 602870772 /nfs/dbraw/zinc/87/07/72/602870772.db2.gz UBOMPHLLMYMLHL-SECBINFHSA-N -1 0 308.356 -0.047 20 0 DBADRM CN(CCCS(C)(=O)=O)CCN1CCN(C(=O)[O-])CC1 ZINC000739684985 602871046 /nfs/dbraw/zinc/87/10/46/602871046.db2.gz OXDXMBVWUGINNU-UHFFFAOYSA-N -1 0 307.416 -0.352 20 0 DBADRM CN1CCO[C@H](CNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1 ZINC000739745967 602871418 /nfs/dbraw/zinc/87/14/18/602871418.db2.gz YLCMLPFHKCWIAC-VXGBXAGGSA-N -1 0 315.370 -0.408 20 0 DBADRM CCOC[C@@H](O)CN1CCN(C(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000827388975 602871925 /nfs/dbraw/zinc/87/19/25/602871925.db2.gz QWXHILUMDMIYBK-RYUDHWBXSA-N -1 0 317.386 -0.426 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739732006 602874591 /nfs/dbraw/zinc/87/45/91/602874591.db2.gz SGZFXIHPISBKQT-NSHDSACASA-N -1 0 312.370 -0.781 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739748282 602876480 /nfs/dbraw/zinc/87/64/80/602876480.db2.gz JWFFPHYRKSBOST-JTQLQIEISA-N -1 0 315.374 -0.942 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)[C@H]1COCCN1C(=O)[O-])CC2 ZINC000740250608 602877338 /nfs/dbraw/zinc/87/73/38/602877338.db2.gz CSWHRIQLETWGPY-NXEZZACHSA-N -1 0 309.326 -0.604 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739739828 602877467 /nfs/dbraw/zinc/87/74/67/602877467.db2.gz VUNHUWRFSOTOQZ-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000739775407 602881440 /nfs/dbraw/zinc/88/14/40/602881440.db2.gz IPRQCWWOFZPBCE-ZJUUUORDSA-N -1 0 315.326 -0.288 20 0 DBADRM COC(=O)[C@H]1CCCN(C(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000739775503 602883395 /nfs/dbraw/zinc/88/33/95/602883395.db2.gz XWGXHRMEHDOVDX-VHSXEESVSA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@H]1CN(C(=O)NCCCN(C)C(=O)[O-])CCS1(=O)=O ZINC000739137612 602884231 /nfs/dbraw/zinc/88/42/31/602884231.db2.gz QLJYPQFJMKPDAM-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N1CCNC(=O)C1 ZINC000739980394 602885082 /nfs/dbraw/zinc/88/50/82/602885082.db2.gz UPKDLHFYLJWQGQ-GFCCVEGCSA-N -1 0 307.306 -0.038 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCCN1CCOC1=O ZINC000740427527 602886336 /nfs/dbraw/zinc/88/63/36/602886336.db2.gz JDEGAXZWRNLEOT-VIFPVBQESA-N -1 0 301.299 -0.676 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCCN1CCOC1=O ZINC000740427520 602886585 /nfs/dbraw/zinc/88/65/85/602886585.db2.gz JDEGAXZWRNLEOT-SECBINFHSA-N -1 0 301.299 -0.676 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000739996489 602888384 /nfs/dbraw/zinc/88/83/84/602888384.db2.gz SIGPCDXSZRZXIM-VIFPVBQESA-N -1 0 322.387 -0.633 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739187610 602888617 /nfs/dbraw/zinc/88/86/17/602888617.db2.gz HLTCMVTZOWQSRM-GHMZBOCLSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@@H](CC(=O)N1CCC[C@H](CS(N)(=O)=O)C1)NC(=O)[O-] ZINC000824580511 602888686 /nfs/dbraw/zinc/88/86/86/602888686.db2.gz IIKQCANEDZWIOK-IUCAKERBSA-N -1 0 307.372 -0.440 20 0 DBADRM C[C@H](CC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1)NC(=O)[O-] ZINC000824580514 602888746 /nfs/dbraw/zinc/88/87/46/602888746.db2.gz IIKQCANEDZWIOK-RKDXNWHRSA-N -1 0 307.372 -0.440 20 0 DBADRM O=C([O-])N(CC(=O)N1CCS(=O)CC1)C[C@H]1CCCO1 ZINC000740492654 602889774 /nfs/dbraw/zinc/88/97/74/602889774.db2.gz SGFYULXTZFTIHU-SNVBAGLBSA-N -1 0 304.368 -0.264 20 0 DBADRM CC1(C)NC(=O)N(CCOC(=O)[C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000739072378 602895045 /nfs/dbraw/zinc/89/50/45/602895045.db2.gz CSPFCQJFMOSKHP-MRVPVSSYSA-N -1 0 313.310 -0.140 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 ZINC000737931376 602895482 /nfs/dbraw/zinc/89/54/82/602895482.db2.gz VWKWRRLWDMCAGC-UHFFFAOYSA-N -1 0 321.399 -0.085 20 0 DBADRM CS(=O)(=O)CCNC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000739981819 602895997 /nfs/dbraw/zinc/89/59/97/602895997.db2.gz CFTIXAQNIFZBNS-SECBINFHSA-N -1 0 307.372 -0.137 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)NC(=O)NC1CC1 ZINC000739045486 602897464 /nfs/dbraw/zinc/89/74/64/602897464.db2.gz WJUKQIBGFGQXED-JGVFFNPUSA-N -1 0 313.310 -0.094 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739761660 602898124 /nfs/dbraw/zinc/89/81/24/602898124.db2.gz MBCJDJYXLHVDBU-YUMQZZPRSA-N -1 0 302.283 -0.793 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739761654 602898173 /nfs/dbraw/zinc/89/81/73/602898173.db2.gz MBCJDJYXLHVDBU-HTQZYQBOSA-N -1 0 302.283 -0.793 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739134085 602900878 /nfs/dbraw/zinc/90/08/78/602900878.db2.gz MEFFSNSMCZGQBQ-ZJUUUORDSA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@@H](CC(=O)NC1CCN(CC(=O)N(C)C)CC1)NC(=O)[O-] ZINC000824622813 602901852 /nfs/dbraw/zinc/90/18/52/602901852.db2.gz PVNHREQKYNMTMH-JTQLQIEISA-N -1 0 314.386 -0.299 20 0 DBADRM O=C(COC(=O)[C@@H]1CCN(C(=O)[O-])C1)NC1CCOCC1 ZINC000740376637 602902961 /nfs/dbraw/zinc/90/29/61/602902961.db2.gz IZFMGFGHMZBNPH-SECBINFHSA-N -1 0 300.311 -0.175 20 0 DBADRM C[C@@H](CCO)NC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000738907183 602906553 /nfs/dbraw/zinc/90/65/53/602906553.db2.gz LYSDSGNYFUNFRS-NSHDSACASA-N -1 0 302.375 -0.258 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739518368 602906915 /nfs/dbraw/zinc/90/69/15/602906915.db2.gz YOWVDRJWCIZZFF-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM COC(=O)CCSCCNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739763889 602907030 /nfs/dbraw/zinc/90/70/30/602907030.db2.gz ZIGZCFBGDIJWCW-VIFPVBQESA-N -1 0 320.367 -0.222 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000739453973 602909739 /nfs/dbraw/zinc/90/97/39/602909739.db2.gz BTXNQNOCCITXBV-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@@H](CNC(=O)NCCCNC(=O)[O-])CN1CCOCC1 ZINC000738921443 602912535 /nfs/dbraw/zinc/91/25/35/602912535.db2.gz USIQIJYCARNGRU-NSHDSACASA-N -1 0 302.375 -0.088 20 0 DBADRM CCN1CCO[C@H](CNC(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000739457271 602913283 /nfs/dbraw/zinc/91/32/83/602913283.db2.gz RCWPDUUDBXTRIL-NXEZZACHSA-N -1 0 303.384 -0.124 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739074116 602913561 /nfs/dbraw/zinc/91/35/61/602913561.db2.gz HPFNZMLJGCVYPG-BBBLOLIVSA-N -1 0 320.367 -0.601 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000740348761 602914921 /nfs/dbraw/zinc/91/49/21/602914921.db2.gz LZASKRHCAPSKMB-VXGBXAGGSA-N -1 0 323.353 -0.105 20 0 DBADRM C[C@@H](CNC(=O)N1CCN(C(=O)[O-])CC1)CN1CCOCC1 ZINC000736596168 602920688 /nfs/dbraw/zinc/92/06/88/602920688.db2.gz SMICEWCXBUYVDM-LBPRGKRZSA-N -1 0 314.386 -0.040 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H]1NC(=O)[O-] ZINC000739140250 602929171 /nfs/dbraw/zinc/92/91/71/602929171.db2.gz ZBSXVOWWGMISHO-KXUCPTDWSA-N -1 0 319.383 -0.139 20 0 DBADRM C[C@H](CO)[C@H](C)NC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000738943260 602933251 /nfs/dbraw/zinc/93/32/51/602933251.db2.gz WSUJVZHACFTBSF-NEPJUHHUSA-N -1 0 316.402 -0.012 20 0 DBADRM CC(C)(CC(=O)N1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000738731331 602942473 /nfs/dbraw/zinc/94/24/73/602942473.db2.gz DNXJQOHUZAUWSO-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM CC(C)[C@@H](CNC(=O)CC1SC(=N)NC1=O)NC(=O)[O-] ZINC000824111649 602946863 /nfs/dbraw/zinc/94/68/63/602946863.db2.gz UQVTUFPVJYWGFW-RNFRBKRXSA-N -1 0 302.356 -0.049 20 0 DBADRM C[C@H]1CN(C(=O)CCSc2nnnn2C)CCN1C(=O)[O-] ZINC000739128551 602949119 /nfs/dbraw/zinc/94/91/19/602949119.db2.gz WJWMIHNXIPWDFH-QMMMGPOBSA-N -1 0 314.371 -0.097 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)CC1=O ZINC000739829379 602949585 /nfs/dbraw/zinc/94/95/85/602949585.db2.gz PQGZCASDLZNDAV-QWRGUYRKSA-N -1 0 313.354 -0.308 20 0 DBADRM Cn1cc(C(=O)NC[C@H]2CCCCN2C(=O)[O-])c(=O)n(C)c1=O ZINC000740284177 602952054 /nfs/dbraw/zinc/95/20/54/602952054.db2.gz LLGZPWDRIQVKEO-SECBINFHSA-N -1 0 324.337 -0.654 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)CN(CC2CC2)C(=O)[O-])C1 ZINC000829686966 602954690 /nfs/dbraw/zinc/95/46/90/602954690.db2.gz HOSJDWBFBHIRMQ-SNVBAGLBSA-N -1 0 319.383 -0.474 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1)C(=O)[O-] ZINC000739658094 602955910 /nfs/dbraw/zinc/95/59/10/602955910.db2.gz SKQGLWJFFFSJDC-VIFPVBQESA-N -1 0 324.337 -0.844 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)CC(C)(C)NC(=O)[O-] ZINC000739811385 602956045 /nfs/dbraw/zinc/95/60/45/602956045.db2.gz BNFUIFWYOJOTDG-UHFFFAOYSA-N -1 0 303.359 -0.014 20 0 DBADRM CCN(CCCNC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000739421319 602958736 /nfs/dbraw/zinc/95/87/36/602958736.db2.gz LCGDQERTIAIULE-UHFFFAOYSA-N -1 0 312.326 -0.796 20 0 DBADRM Cn1cc(C(=O)N[C@](C)(CNC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000740279779 602958849 /nfs/dbraw/zinc/95/88/49/602958849.db2.gz GSEWOEOBZNKLEL-CQSZACIVSA-N -1 0 324.337 -0.750 20 0 DBADRM NS(=O)(=O)CCNC(=O)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000740337154 602959118 /nfs/dbraw/zinc/95/91/18/602959118.db2.gz FOQRDNOARYVMFC-QMMMGPOBSA-N -1 0 308.360 -0.893 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000736360526 602962849 /nfs/dbraw/zinc/96/28/49/602962849.db2.gz GOEOTXHDRXOGKX-BDAKNGLRSA-N -1 0 307.372 -0.571 20 0 DBADRM CN(CCCC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC000737418155 602962897 /nfs/dbraw/zinc/96/28/97/602962897.db2.gz PCZREVZQAPXYJR-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000739227170 602963397 /nfs/dbraw/zinc/96/33/97/602963397.db2.gz QFKDYUKVXTYZDO-LPEHRKFASA-N -1 0 321.399 -0.181 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000739991040 602963701 /nfs/dbraw/zinc/96/37/01/602963701.db2.gz JKBFYFARBULFMZ-HTQZYQBOSA-N -1 0 323.396 -0.811 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000739996456 602968302 /nfs/dbraw/zinc/96/83/02/602968302.db2.gz RSIVSNBJBIWZFV-BDAKNGLRSA-N -1 0 320.371 -0.928 20 0 DBADRM O=C([O-])NCCNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000740658936 602977131 /nfs/dbraw/zinc/97/71/31/602977131.db2.gz NJMNAFGEGGKJGM-NSHDSACASA-N -1 0 319.317 -0.111 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)CC(C)(C)NC(=O)[O-])C2)C1=O ZINC000739726753 602978946 /nfs/dbraw/zinc/97/89/46/602978946.db2.gz IAGCYQHLDUVPBN-ZDUSSCGKSA-N -1 0 312.326 -0.425 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000740619508 602979152 /nfs/dbraw/zinc/97/91/52/602979152.db2.gz CXPXZVLDPZNGGP-DTWKUNHWSA-N -1 0 310.310 -0.499 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000738951827 602979876 /nfs/dbraw/zinc/97/98/76/602979876.db2.gz QBXCXKVFONCVEH-IUCAKERBSA-N -1 0 307.372 -0.187 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000738951085 602980098 /nfs/dbraw/zinc/98/00/98/602980098.db2.gz OIPGSGWEIOVANF-RKDXNWHRSA-N -1 0 307.372 -0.281 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)COCCNC(=O)[O-])C[C@H]1C ZINC000739042048 602984410 /nfs/dbraw/zinc/98/44/10/602984410.db2.gz CGUTUOJUZPGAGS-GHMZBOCLSA-N -1 0 303.359 -0.816 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])C[C@H]1C ZINC000739044935 602985762 /nfs/dbraw/zinc/98/57/62/602985762.db2.gz IPUSAMVRTFEPKG-OUAUKWLOSA-N -1 0 317.411 -0.047 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000739996370 602991842 /nfs/dbraw/zinc/99/18/42/602991842.db2.gz PJIQFBWLRRHRPR-UWVGGRQHSA-N -1 0 321.399 -0.132 20 0 DBADRM O=C([O-])N1CCN(CC(=O)Nc2nnc3ccccn32)C(=O)C1 ZINC000740371002 602991954 /nfs/dbraw/zinc/99/19/54/602991954.db2.gz IMJIHVBNCWYNLI-UHFFFAOYSA-N -1 0 318.293 -0.510 20 0 DBADRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC000740625636 602993637 /nfs/dbraw/zinc/99/36/37/602993637.db2.gz LPDPQASNOQHANC-DTWKUNHWSA-N -1 0 312.326 -0.519 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-])NS(C)(=O)=O ZINC000738747157 602993910 /nfs/dbraw/zinc/99/39/10/602993910.db2.gz NXKRDPXFYDKPLN-RKDXNWHRSA-N -1 0 321.399 -0.133 20 0 DBADRM CCOCCCCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739490901 602994618 /nfs/dbraw/zinc/99/46/18/602994618.db2.gz ATXUIDXDTMMXGG-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM Cn1cc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)ccc1=O ZINC000740288610 602995224 /nfs/dbraw/zinc/99/52/24/602995224.db2.gz CIRYEYGPIJJPAX-UHFFFAOYSA-N -1 0 308.294 -0.854 20 0 DBADRM Cc1noc([C@@H](C)NC(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000740263054 602998562 /nfs/dbraw/zinc/99/85/62/602998562.db2.gz JRIHZMBYOYLMKD-SSDOTTSWSA-N -1 0 311.298 -0.623 20 0 DBADRM NC(=O)CN1C[C@@H](OC(=O)C2CCN(C(=O)[O-])CC2)CC1=O ZINC000738440994 602998864 /nfs/dbraw/zinc/99/88/64/602998864.db2.gz PTQHUROZSNOWJI-VIFPVBQESA-N -1 0 313.310 -0.994 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)O[C@@H]1CC(=O)N(CC(N)=O)C1 ZINC000739327319 602998886 /nfs/dbraw/zinc/99/88/86/602998886.db2.gz ZMYZHSUSHXOZTG-HTQZYQBOSA-N -1 0 301.299 -0.948 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@@H]1CC(=O)N(CC(N)=O)C1 ZINC000736425112 602998944 /nfs/dbraw/zinc/99/89/44/602998944.db2.gz JYQKUBLMIADPPA-RKDXNWHRSA-N -1 0 315.326 -0.702 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CCc2nccn2C1 ZINC000740369012 602999639 /nfs/dbraw/zinc/99/96/39/602999639.db2.gz JVEWELXNGAEFAA-JTQLQIEISA-N -1 0 321.337 -0.864 20 0 DBADRM COC(=O)C(C)(C)N(C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739754972 603000894 /nfs/dbraw/zinc/00/08/94/603000894.db2.gz ANFCWZZTRRQKGM-UHFFFAOYSA-N -1 0 315.326 -0.781 20 0 DBADRM CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])S(C)(=O)=O ZINC000739623159 603004600 /nfs/dbraw/zinc/00/46/00/603004600.db2.gz COJDGWMETYEYFK-PBINXNQUSA-N -1 0 319.383 -0.333 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)CC(C)(C)NC(=O)[O-] ZINC000739621530 603013275 /nfs/dbraw/zinc/01/32/75/603013275.db2.gz HZGXWYPHXQNQEG-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000736364171 603015425 /nfs/dbraw/zinc/01/54/25/603015425.db2.gz NLFQZVVEUPHMPI-WDEREUQCSA-N -1 0 323.353 -0.066 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000736364170 603015703 /nfs/dbraw/zinc/01/57/03/603015703.db2.gz NLFQZVVEUPHMPI-QWRGUYRKSA-N -1 0 323.353 -0.066 20 0 DBADRM C[C@H](CNC(=O)CN1CCN(C(=O)[O-])CC1=O)Cn1cccn1 ZINC000738917389 603016961 /nfs/dbraw/zinc/01/69/61/603016961.db2.gz QFUPDBJCOKETGF-LLVKDONJSA-N -1 0 323.353 -0.542 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000739995587 603018443 /nfs/dbraw/zinc/01/84/43/603018443.db2.gz OIROHADFPIVKCA-RKDXNWHRSA-N -1 0 307.372 -0.522 20 0 DBADRM CCN(C[C@H]1CCOC1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739415805 603018718 /nfs/dbraw/zinc/01/87/18/603018718.db2.gz TYRVQKDECRSRSU-LLVKDONJSA-N -1 0 313.354 -0.306 20 0 DBADRM Cc1ncc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)s1 ZINC000740231430 603019292 /nfs/dbraw/zinc/01/92/92/603019292.db2.gz JMMPNSZAQCOGHW-UHFFFAOYSA-N -1 0 312.351 -0.110 20 0 DBADRM COC(=O)CCCCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739762073 603019665 /nfs/dbraw/zinc/01/96/65/603019665.db2.gz KRYFKRWWKZUSQD-UHFFFAOYSA-N -1 0 315.326 -0.732 20 0 DBADRM CC(C)(CC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)NC(=O)[O-] ZINC000738730971 603020848 /nfs/dbraw/zinc/02/08/48/603020848.db2.gz KCIOJMFWQHWHCG-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CCS1 ZINC000739129721 603024605 /nfs/dbraw/zinc/02/46/05/603024605.db2.gz ARXOFPMHRRZXIR-VIFPVBQESA-N -1 0 301.368 -0.228 20 0 DBADRM CN(CCNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000739696165 603026643 /nfs/dbraw/zinc/02/66/43/603026643.db2.gz XJENEPRZQMOUQG-SNVBAGLBSA-N -1 0 324.341 -0.566 20 0 DBADRM O=C([O-])N1CCC[C@@H](C(=O)N2CCO[C@@H](Cn3cncn3)C2)C1 ZINC000738643092 603027082 /nfs/dbraw/zinc/02/70/82/603027082.db2.gz UVTDSHBSQKRSMA-VXGBXAGGSA-N -1 0 323.353 -0.105 20 0 DBADRM CN(CCCC(=O)N1CCO[C@@H](Cn2cncn2)C1)C(=O)[O-] ZINC000737419430 603027274 /nfs/dbraw/zinc/02/72/74/603027274.db2.gz YNJFEPRCNSCIDD-LLVKDONJSA-N -1 0 311.342 -0.105 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000739312965 603027852 /nfs/dbraw/zinc/02/78/52/603027852.db2.gz QOBUKJUARTUUDW-GHMZBOCLSA-N -1 0 311.342 -0.058 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCc2cccc(O)c2)C(=O)C1 ZINC000740368211 603029033 /nfs/dbraw/zinc/02/90/33/603029033.db2.gz JLPXKOMZWFFYFT-UHFFFAOYSA-N -1 0 307.306 -0.169 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCn3ccnc3C2)C(=O)C1 ZINC000740526739 603030000 /nfs/dbraw/zinc/03/00/00/603030000.db2.gz JZZWNFOUSQNQPL-UHFFFAOYSA-N -1 0 307.310 -0.953 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NC[C@H]1CCCC[C@@H]1O ZINC000740370329 603032700 /nfs/dbraw/zinc/03/27/00/603032700.db2.gz TXKYFJSQZMVVAV-MNOVXSKESA-N -1 0 313.354 -0.524 20 0 DBADRM O=C([O-])N1CCC(NC(=O)NCCN2C(=O)CCC2=O)CC1 ZINC000738500942 603035318 /nfs/dbraw/zinc/03/53/18/603035318.db2.gz MMFCTLORQXUARU-UHFFFAOYSA-N -1 0 312.326 -0.423 20 0 DBADRM CN(Cc1cnccn1)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739718588 603045834 /nfs/dbraw/zinc/04/58/34/603045834.db2.gz ZQEPMIDLEPCBLB-UHFFFAOYSA-N -1 0 322.369 -0.086 20 0 DBADRM CC(C)(CC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1)NC(=O)[O-] ZINC000738733061 603046902 /nfs/dbraw/zinc/04/69/02/603046902.db2.gz XDHTXISCGDQWRE-SECBINFHSA-N -1 0 321.399 -0.050 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)CCC(=O)N1CCOCC1)C1CC1 ZINC000740603445 603047777 /nfs/dbraw/zinc/04/77/77/603047777.db2.gz VHGZJUOXWRPBSR-LLVKDONJSA-N -1 0 313.354 -0.212 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000739464316 603047823 /nfs/dbraw/zinc/04/78/23/603047823.db2.gz DWGYNLWKPYPBNB-DTWKUNHWSA-N -1 0 307.372 -0.522 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)N2CCO[C@@H](Cn3cncn3)C2)C1 ZINC000740506376 603048861 /nfs/dbraw/zinc/04/88/61/603048861.db2.gz YGXDYVKRMVMNGW-GHMZBOCLSA-N -1 0 324.341 -0.559 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)CC(C)(C)NC(=O)[O-])CCO1 ZINC000738553176 603052669 /nfs/dbraw/zinc/05/26/69/603052669.db2.gz UVCDXSFQIKDEPM-JTQLQIEISA-N -1 0 301.343 -0.214 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000740560970 603055603 /nfs/dbraw/zinc/05/56/03/603055603.db2.gz BHTUEIXOSBOEQJ-OTPXZMOZSA-N -1 0 310.310 -0.767 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000740560963 603055697 /nfs/dbraw/zinc/05/56/97/603055697.db2.gz BHTUEIXOSBOEQJ-DAROEXNTSA-N -1 0 310.310 -0.767 20 0 DBADRM CCN(CC(=O)N1CCN(Cc2nnc(C)n2C)CC1)C(=O)[O-] ZINC000739393302 603056612 /nfs/dbraw/zinc/05/66/12/603056612.db2.gz IPKHHZQGXRTUFO-UHFFFAOYSA-N -1 0 324.385 -0.232 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)Cc1nc2ncccn2n1)C1CC1 ZINC000740604248 603060970 /nfs/dbraw/zinc/06/09/70/603060970.db2.gz MCPMNQKCRPDUIU-VIFPVBQESA-N -1 0 304.310 -0.171 20 0 DBADRM COC(=O)C1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739756250 603061359 /nfs/dbraw/zinc/06/13/59/603061359.db2.gz PMRBTGMBRPPGDA-ZJUUUORDSA-N -1 0 300.311 -0.489 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1(C)C)S(C)(=O)=O ZINC000739620597 603067297 /nfs/dbraw/zinc/06/72/97/603067297.db2.gz XKKZMIYCIOYHLK-UHFFFAOYSA-N -1 0 307.372 -0.521 20 0 DBADRM C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])C(=O)NC(C)(C)C ZINC000738953392 603073770 /nfs/dbraw/zinc/07/37/70/603073770.db2.gz DQDKLUKCBGCCQO-CIUDSAMLSA-N -1 0 301.343 -0.481 20 0 DBADRM CN(CCNC(=O)N1CC[C@@H](N2CCOCC2)C1)C(=O)[O-] ZINC000739696056 603074724 /nfs/dbraw/zinc/07/47/24/603074724.db2.gz ZZMSRYYYWPKYEA-LLVKDONJSA-N -1 0 300.359 -0.288 20 0 DBADRM CN1C(=O)C[C@H](C(=O)NCCNC(=O)[O-])[C@H]1c1cccnc1 ZINC000739729114 603075250 /nfs/dbraw/zinc/07/52/50/603075250.db2.gz QRRZLHVGVHUDBF-CMPLNLGQSA-N -1 0 306.322 -0.015 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)NCCN1CCOCC1)C1CC1 ZINC000740609486 603077414 /nfs/dbraw/zinc/07/74/14/603077414.db2.gz HPCMEMOZAQQDLK-LLVKDONJSA-N -1 0 300.359 -0.336 20 0 DBADRM O=C([O-])N(CC(=O)N1CC[C@]2(C1)NC(=O)NC2=O)CC1CC1 ZINC000740732807 603077718 /nfs/dbraw/zinc/07/77/18/603077718.db2.gz OCHPELUOHGNPLW-CYBMUJFWSA-N -1 0 310.310 -0.813 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCc1cn2c(n1)CCCC2 ZINC000740452154 603078202 /nfs/dbraw/zinc/07/82/02/603078202.db2.gz SSPPUWXVFQCHOC-GHMZBOCLSA-N -1 0 308.338 -0.051 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NC(C)(C)CNC(=O)[O-] ZINC000739412255 603078930 /nfs/dbraw/zinc/07/89/30/603078930.db2.gz ZZKKLKBDZQVDQB-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CCC[C@@H](CNC(=O)[O-])C2)n1 ZINC000739781382 603080370 /nfs/dbraw/zinc/08/03/70/603080370.db2.gz VEIJBPOJQQQNRR-JTQLQIEISA-N -1 0 324.337 -0.033 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NS(=O)(=O)N1CCOCC1 ZINC000738810954 603085016 /nfs/dbraw/zinc/08/50/16/603085016.db2.gz KPUZPBVVNJQPMW-SNVBAGLBSA-N -1 0 309.388 -0.165 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N(C)C1CCN(C(=O)[O-])CC1 ZINC000739040586 603087366 /nfs/dbraw/zinc/08/73/66/603087366.db2.gz UTOUOTNGYHQVBK-MRVPVSSYSA-N -1 0 307.372 -0.475 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@@H]2CSCN2C(=O)[O-])n[nH]1 ZINC000739768424 603087977 /nfs/dbraw/zinc/08/79/77/603087977.db2.gz NRDKONHMEWQJPA-YFKPBYRVSA-N -1 0 315.311 -0.488 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CCS1(=O)=O ZINC000739129520 603088542 /nfs/dbraw/zinc/08/85/42/603088542.db2.gz BYRKHXCTMXIXSQ-SCZZXKLOSA-N -1 0 319.383 -0.139 20 0 DBADRM CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739243282 603089938 /nfs/dbraw/zinc/08/99/38/603089938.db2.gz FYQLVAJYMUDONK-QEYWKRMJSA-N -1 0 301.343 -0.481 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000739199191 603090031 /nfs/dbraw/zinc/09/00/31/603090031.db2.gz FQCPQGPCULJUOQ-CIUDSAMLSA-N -1 0 315.326 -0.798 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCC(=O)NC1CCCCC1 ZINC000740376622 603090802 /nfs/dbraw/zinc/09/08/02/603090802.db2.gz HJHFBQVMULXXGI-QWRGUYRKSA-N -1 0 313.354 -0.335 20 0 DBADRM CCN(CCNC(=O)CN(C)Cc1nnc(C)n1C)C(=O)[O-] ZINC000739422217 603091511 /nfs/dbraw/zinc/09/15/11/603091511.db2.gz YVRBBWJFPKHMAA-UHFFFAOYSA-N -1 0 312.374 -0.329 20 0 DBADRM COCCN(CC(=O)N(CC(N)=O)C1CCCC1)C(=O)[O-] ZINC000739816958 603091947 /nfs/dbraw/zinc/09/19/47/603091947.db2.gz QSFFZKNOOIFVKW-UHFFFAOYSA-N -1 0 301.343 -0.131 20 0 DBADRM COCCN(CC(=O)N1CCC[C@@H](NC(C)=O)C1)C(=O)[O-] ZINC000739816368 603093280 /nfs/dbraw/zinc/09/32/80/603093280.db2.gz KXJXELORKGYPOA-LLVKDONJSA-N -1 0 301.343 -0.260 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000739190842 603095449 /nfs/dbraw/zinc/09/54/49/603095449.db2.gz PIASZSOGXBEQHE-WPRPVWTQSA-N -1 0 319.383 -0.139 20 0 DBADRM C[C@H](CCNC(=O)N1CCS(=O)(=O)C[C@H]1C)NC(=O)[O-] ZINC000738906070 603097638 /nfs/dbraw/zinc/09/76/38/603097638.db2.gz OBJKHHVNMXLOMH-RKDXNWHRSA-N -1 0 307.372 -0.139 20 0 DBADRM COCCN(CC(=O)N[C@@H]1CCc2nc(C)nn2C1)C(=O)[O-] ZINC000739819389 603098384 /nfs/dbraw/zinc/09/83/84/603098384.db2.gz PPFWEUKADUBPJP-SNVBAGLBSA-N -1 0 311.342 -0.356 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739189337 603098737 /nfs/dbraw/zinc/09/87/37/603098737.db2.gz LZXIWWALQINQBQ-RKDXNWHRSA-N -1 0 305.356 -0.433 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739514217 603098985 /nfs/dbraw/zinc/09/89/85/603098985.db2.gz FYYXUUPEPFFIGT-YIZRAAEISA-N -1 0 308.356 -0.961 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739186533 603099010 /nfs/dbraw/zinc/09/90/10/603099010.db2.gz BXBMKQWLNWLSPU-NXEZZACHSA-N -1 0 319.383 -0.043 20 0 DBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000738771311 603100206 /nfs/dbraw/zinc/10/02/06/603100206.db2.gz KKHAHRULQMEUCO-GFCCVEGCSA-N -1 0 313.314 -0.118 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)C(C)(C)NC(=O)[O-])CC2)[nH]1 ZINC000738857700 603100464 /nfs/dbraw/zinc/10/04/64/603100464.db2.gz OYHVLZWQWXGNJA-UHFFFAOYSA-N -1 0 310.358 -0.196 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCc2ccccc2CO)C(=O)C1 ZINC000740368043 603101864 /nfs/dbraw/zinc/10/18/64/603101864.db2.gz HCKIEEMHIIROPG-UHFFFAOYSA-N -1 0 321.333 -0.383 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000738751115 603103828 /nfs/dbraw/zinc/10/38/28/603103828.db2.gz QKUCOKJJEWCKLU-UHFFFAOYSA-N -1 0 306.300 -0.401 20 0 DBADRM COCCN(CC(=O)NCc1nnc2n1CCCC2)C(=O)[O-] ZINC000739817935 603106629 /nfs/dbraw/zinc/10/66/29/603106629.db2.gz IXPUPZXENNMPSZ-UHFFFAOYSA-N -1 0 311.342 -0.143 20 0 DBADRM CCN(CCCNS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000827129444 603106769 /nfs/dbraw/zinc/10/67/69/603106769.db2.gz IFMUISTXLATTNP-UHFFFAOYSA-N -1 0 316.401 -0.660 20 0 DBADRM CNC(=O)CN1CCN(C(=O)CC(C)(C)NC(=O)[O-])CC1 ZINC000739739540 603107692 /nfs/dbraw/zinc/10/76/92/603107692.db2.gz LDMIXGLVUQZWTF-UHFFFAOYSA-N -1 0 300.359 -0.687 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)S(=O)(=O)C1CC1 ZINC000828095792 603107872 /nfs/dbraw/zinc/10/78/72/603107872.db2.gz NRXCIXNCNMRIFP-UHFFFAOYSA-N -1 0 305.356 -0.767 20 0 DBADRM COCCN(CC(=O)N1CCN(C(=O)OC)CC1)C(=O)[O-] ZINC000739815389 603108166 /nfs/dbraw/zinc/10/81/66/603108166.db2.gz CBSJJPBEKUMZHX-UHFFFAOYSA-N -1 0 303.315 -0.477 20 0 DBADRM COCCN(CC(=O)NC1CCN(C(=O)OC)CC1)C(=O)[O-] ZINC000739820196 603108395 /nfs/dbraw/zinc/10/83/95/603108395.db2.gz WBUBOWSPWNGPFD-UHFFFAOYSA-N -1 0 317.342 -0.040 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)OCc1nnc(C2CC2)o1 ZINC000740375047 603111751 /nfs/dbraw/zinc/11/17/51/603111751.db2.gz XJCCOUGEOJFDAB-UHFFFAOYSA-N -1 0 324.293 -0.188 20 0 DBADRM CN(CCCC(=O)N1CCC[C@@H]1CS(N)(=O)=O)C(=O)[O-] ZINC000737419777 603115769 /nfs/dbraw/zinc/11/57/69/603115769.db2.gz YZICBIADIWYQCB-SECBINFHSA-N -1 0 307.372 -0.344 20 0 DBADRM COCCN(CC(=O)NCc1cnc(N(C)C)n1C)C(=O)[O-] ZINC000739819353 603116471 /nfs/dbraw/zinc/11/64/71/603116471.db2.gz ZJAUCECSZJRNOV-UHFFFAOYSA-N -1 0 313.358 -0.271 20 0 DBADRM NC(=O)N1CC[C@H](NC(=O)c2csc(CNC(=O)[O-])n2)C1 ZINC000740331128 603116839 /nfs/dbraw/zinc/11/68/39/603116839.db2.gz DXFXTIVAMHVESC-LURJTMIESA-N -1 0 313.339 -0.207 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)OCC(=O)N1CCOCC1 ZINC000740584379 603119951 /nfs/dbraw/zinc/11/99/51/603119951.db2.gz YWTLIXSCDRKRDF-ZJUUUORDSA-N -1 0 300.311 -0.175 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000828671174 603124684 /nfs/dbraw/zinc/12/46/84/603124684.db2.gz RDJPQZOAQDUHQV-SECBINFHSA-N -1 0 308.356 -0.047 20 0 DBADRM COCCN(CC(=O)NC1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000739819394 603142002 /nfs/dbraw/zinc/14/20/02/603142002.db2.gz PRXRAZJHMWOTDW-UHFFFAOYSA-N -1 0 308.356 -0.694 20 0 DBADRM CC(C)[C@H](C)NC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000738770526 603143916 /nfs/dbraw/zinc/14/39/16/603143916.db2.gz WXQZVSBTOFVBJV-GUBZILKMSA-N -1 0 302.327 -0.197 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCCCN1CCOC1=O ZINC000740721757 603146481 /nfs/dbraw/zinc/14/64/81/603146481.db2.gz UZTQDTAEQKZCMG-DTWKUNHWSA-N -1 0 302.283 -0.515 20 0 DBADRM NC(=O)c1ccc(COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000740331463 603148902 /nfs/dbraw/zinc/14/89/02/603148902.db2.gz LPWRBIVJJQYMRX-WDEREUQCSA-N -1 0 308.290 -0.058 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)OCC1CCN(C(=O)[O-])CC1 ZINC000738551111 603149176 /nfs/dbraw/zinc/14/91/76/603149176.db2.gz NLBHPEZTVIRGGX-UHFFFAOYSA-N -1 0 315.326 -0.828 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)CCNS(C)(=O)=O)C(=O)[O-] ZINC000828192289 603150209 /nfs/dbraw/zinc/15/02/09/603150209.db2.gz SBHDGTLYXIUMHS-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CCC(C)(C)NC(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739220025 603152674 /nfs/dbraw/zinc/15/26/74/603152674.db2.gz UDXFSPWQGIWEQP-RKDXNWHRSA-N -1 0 302.327 -0.052 20 0 DBADRM O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])NCC1CCC1 ZINC000740374492 603153195 /nfs/dbraw/zinc/15/31/95/603153195.db2.gz AVGWEXMGWQDHTE-ZJUUUORDSA-N -1 0 300.311 -0.441 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NCC(F)(F)F ZINC000740378038 603157403 /nfs/dbraw/zinc/15/74/03/603157403.db2.gz NRSHGUSSDQPUQM-WDSKDSINSA-N -1 0 314.216 -0.679 20 0 DBADRM CC1CCN(C(=O)COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739114264 603159254 /nfs/dbraw/zinc/15/92/54/603159254.db2.gz VJHQEGTYJBJVTF-QWRGUYRKSA-N -1 0 314.338 -0.099 20 0 DBADRM CCCCCNC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739326811 603159337 /nfs/dbraw/zinc/15/93/37/603159337.db2.gz LUMBILJCNJRIQU-ZJUUUORDSA-N -1 0 302.327 -0.051 20 0 DBADRM NC(=O)c1cccc(COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000740334710 603161875 /nfs/dbraw/zinc/16/18/75/603161875.db2.gz ARPNFEJAIFNEBK-WDEREUQCSA-N -1 0 308.290 -0.058 20 0 DBADRM COCCN(CC(=O)N[C@H]1CCN(C(C)C)C1=O)C(=O)[O-] ZINC000739818697 603174795 /nfs/dbraw/zinc/17/47/95/603174795.db2.gz LLYDWQXQNAXMAT-JTQLQIEISA-N -1 0 301.343 -0.262 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000738444134 603186808 /nfs/dbraw/zinc/18/68/08/603186808.db2.gz AMTMYYYMGHUAQC-VHSXEESVSA-N -1 0 319.383 -0.344 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000740342578 603187337 /nfs/dbraw/zinc/18/73/37/603187337.db2.gz PRWYYQSGDWYQSK-HTQZYQBOSA-N -1 0 323.396 -0.681 20 0 DBADRM CN(CCCC(=O)N1CCN(CCn2cncn2)CC1)C(=O)[O-] ZINC000739665422 603189339 /nfs/dbraw/zinc/18/93/39/603189339.db2.gz SUHIFVKYUNYSMX-UHFFFAOYSA-N -1 0 324.385 -0.188 20 0 DBADRM CC(=O)N[C@@H](CC(=O)Nc1ccc(NC(=O)[O-])nc1)C(N)=O ZINC000738548309 603190664 /nfs/dbraw/zinc/19/06/64/603190664.db2.gz GZIARJVTJGMBMD-QMMMGPOBSA-N -1 0 309.282 -0.510 20 0 DBADRM CCN1C(=S)N=NC1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739565790 603192482 /nfs/dbraw/zinc/19/24/82/603192482.db2.gz YHDSXUGWWFJBLJ-RQJHMYQMSA-N -1 0 315.355 -0.684 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000740342038 603193154 /nfs/dbraw/zinc/19/31/54/603193154.db2.gz QFCWFCBKSPWLTP-DCAQKATOSA-N -1 0 309.326 -0.445 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738158498 603196809 /nfs/dbraw/zinc/19/68/09/603196809.db2.gz SGVIJQAMOXDEDA-NXEZZACHSA-N -1 0 319.383 -0.331 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000738158500 603197008 /nfs/dbraw/zinc/19/70/08/603197008.db2.gz SGVIJQAMOXDEDA-VHSXEESVSA-N -1 0 319.383 -0.331 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)CN1CC(=O)NC1=O ZINC000738806355 603198262 /nfs/dbraw/zinc/19/82/62/603198262.db2.gz PKYBJDPMCMVBDQ-QMMMGPOBSA-N -1 0 300.315 -0.663 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1=O ZINC000737807779 603198961 /nfs/dbraw/zinc/19/89/61/603198961.db2.gz JBKRJUFKQFQHNA-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000739226868 603201457 /nfs/dbraw/zinc/20/14/57/603201457.db2.gz WBIKWZYUQMZLLK-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739226858 603201512 /nfs/dbraw/zinc/20/15/12/603201512.db2.gz WBIKWZYUQMZLLK-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739233093 603205293 /nfs/dbraw/zinc/20/52/93/603205293.db2.gz MKVRPYSECXRHOU-SECBINFHSA-N -1 0 312.326 -0.423 20 0 DBADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NCCNC(N)=O ZINC000739968134 603208863 /nfs/dbraw/zinc/20/88/63/603208863.db2.gz QHNHBCNINQSKSP-SNVBAGLBSA-N -1 0 310.310 -0.212 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739268581 603212105 /nfs/dbraw/zinc/21/21/05/603212105.db2.gz MJZHKQOHVQYZEH-SECBINFHSA-N -1 0 310.310 -0.815 20 0 DBADRM COCCn1nc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)ccc1=O ZINC000737829525 603212682 /nfs/dbraw/zinc/21/26/82/603212682.db2.gz MDUPOVXESBZWSR-JTQLQIEISA-N -1 0 324.337 -0.238 20 0 DBADRM COCCn1nc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)ccc1=O ZINC000737829526 603212802 /nfs/dbraw/zinc/21/28/02/603212802.db2.gz MDUPOVXESBZWSR-SNVBAGLBSA-N -1 0 324.337 -0.238 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC000740389966 603214508 /nfs/dbraw/zinc/21/45/08/603214508.db2.gz HTURDDXWMQUFLJ-SECBINFHSA-N -1 0 320.309 -0.850 20 0 DBADRM C[C@H](NC(N)=O)C(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739032295 603218367 /nfs/dbraw/zinc/21/83/67/603218367.db2.gz JZCSMAJSAAHVOO-XLPZGREQSA-N -1 0 302.331 -0.337 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000738705802 603221090 /nfs/dbraw/zinc/22/10/90/603221090.db2.gz ZZPWGUFXWOIHFA-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM Cc1cc(N2CCC[C@H](NC(=O)CCNC(=O)[O-])C2=O)n(C)n1 ZINC000830078505 603223872 /nfs/dbraw/zinc/22/38/72/603223872.db2.gz MMVILISMFSEXDS-JTQLQIEISA-N -1 0 323.353 -0.002 20 0 DBADRM Cc1cc(N2CCC[C@H](NC(=O)[C@@H](C)NC(=O)[O-])C2=O)n(C)n1 ZINC000830077772 603225290 /nfs/dbraw/zinc/22/52/90/603225290.db2.gz GOQYKCHAXJLOHD-ZJUUUORDSA-N -1 0 323.353 -0.004 20 0 DBADRM COCCN(CC(=O)Nc1nc(C(N)=O)cs1)C(=O)[O-] ZINC000739822291 603230559 /nfs/dbraw/zinc/23/05/59/603230559.db2.gz GASYMJDZXQJOHN-UHFFFAOYSA-N -1 0 302.312 -0.193 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000738861617 603233822 /nfs/dbraw/zinc/23/38/22/603233822.db2.gz XPIJCWUMLUMBRQ-SECBINFHSA-N -1 0 307.372 -0.570 20 0 DBADRM CS(=O)(=O)NCCNC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739995498 603237335 /nfs/dbraw/zinc/23/73/35/603237335.db2.gz NAKCSSDEHMCZNS-IUCAKERBSA-N -1 0 307.372 -0.522 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000739675808 603239322 /nfs/dbraw/zinc/23/93/22/603239322.db2.gz YGAFIEMZGSDZTM-UHFFFAOYSA-N -1 0 305.312 -0.343 20 0 DBADRM C[C@H](CC(=O)N1CCN(CC(=O)N(C)C)CC1)NC(=O)[O-] ZINC000824593839 603240323 /nfs/dbraw/zinc/24/03/23/603240323.db2.gz ZVVDYQCWSWSZON-SNVBAGLBSA-N -1 0 300.359 -0.735 20 0 DBADRM COCCN(CC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C)C(=O)[O-] ZINC000739819556 603243435 /nfs/dbraw/zinc/24/34/35/603243435.db2.gz CHTZOHCHAJNGDN-NXEZZACHSA-N -1 0 322.383 -0.353 20 0 DBADRM NC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)CC1 ZINC000740333115 603249244 /nfs/dbraw/zinc/24/92/44/603249244.db2.gz BEOUEJSNQADCHX-GHMZBOCLSA-N -1 0 312.370 -0.558 20 0 DBADRM O=C([O-])N1CC[C@@H](C(=O)N2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000740732215 603272421 /nfs/dbraw/zinc/27/24/21/603272421.db2.gz JDAGRQSJOOMWKC-MRVPVSSYSA-N -1 0 310.310 -0.813 20 0 DBADRM NC(=O)CN1CCC(NC(=O)c2ccc(CNC(=O)[O-])o2)CC1 ZINC000831189761 603274187 /nfs/dbraw/zinc/27/41/87/603274187.db2.gz FLLSJMRHBRZCQL-UHFFFAOYSA-N -1 0 324.337 -0.273 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000739207753 603274567 /nfs/dbraw/zinc/27/45/67/603274567.db2.gz AEZGTOLYYGKIIJ-QMMMGPOBSA-N -1 0 319.325 -0.333 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000738522165 603277050 /nfs/dbraw/zinc/27/70/50/603277050.db2.gz CTPYVMBNMJRWAQ-LBPRGKRZSA-N -1 0 312.370 -0.733 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000739678460 603281190 /nfs/dbraw/zinc/28/11/90/603281190.db2.gz RYUDHJOPOWRIDE-VIFPVBQESA-N -1 0 307.372 -0.280 20 0 DBADRM C[C@H](C(=O)NC(C(N)=O)C(N)=O)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823677423 603282042 /nfs/dbraw/zinc/28/20/42/603282042.db2.gz KTSZMODJKNKHCY-IONNQARKSA-N -1 0 322.321 -0.913 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)NCCN(C)C(=O)[O-])CCS1(=O)=O ZINC000739079432 603283510 /nfs/dbraw/zinc/28/35/10/603283510.db2.gz ZVCKTHCLQFQUBJ-DTWKUNHWSA-N -1 0 307.372 -0.187 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCCN(C)C(=O)[O-] ZINC000739079430 603283559 /nfs/dbraw/zinc/28/35/59/603283559.db2.gz ZVCKTHCLQFQUBJ-BDAKNGLRSA-N -1 0 307.372 -0.187 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCCCNC(=O)[O-] ZINC000739071651 603283671 /nfs/dbraw/zinc/28/36/71/603283671.db2.gz BOYLMEBCQVZONM-BDAKNGLRSA-N -1 0 307.372 -0.139 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)NC(C)(C)CNC(=O)[O-])C1=O ZINC000739264876 603291928 /nfs/dbraw/zinc/29/19/28/603291928.db2.gz MIRFJOKAPIQTRN-CYBMUJFWSA-N -1 0 314.342 -0.131 20 0 DBADRM O=C([O-])N1CC[C@H](C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000740439726 603292216 /nfs/dbraw/zinc/29/22/16/603292216.db2.gz NPMZMRKDRMGXBJ-VIFPVBQESA-N -1 0 305.356 -0.862 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739517565 603293432 /nfs/dbraw/zinc/29/34/32/603293432.db2.gz YSEXVFPUPLWQQE-VIFPVBQESA-N -1 0 307.372 -0.568 20 0 DBADRM O=C(CN(CC1CC1)C(=O)[O-])NCCC(=O)N1CCOCC1 ZINC000831460520 603294902 /nfs/dbraw/zinc/29/49/02/603294902.db2.gz NDTXMBUEOBNLMU-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM CN(C(=O)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)C1CC1 ZINC000739571162 603295233 /nfs/dbraw/zinc/29/52/33/603295233.db2.gz BHCHVCDZJPNNJF-UHFFFAOYSA-N -1 0 324.337 -0.328 20 0 DBADRM C[C@H](O)CCNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739045062 603296437 /nfs/dbraw/zinc/29/64/37/603296437.db2.gz KIYIMCSMFWFTHJ-NSHDSACASA-N -1 0 302.375 -0.258 20 0 DBADRM O=C([O-])NC1CCC(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC000740551412 603299244 /nfs/dbraw/zinc/29/92/44/603299244.db2.gz SMROITVJAAHVAM-CTCYHXBNSA-N -1 0 324.337 -0.377 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])c1=O ZINC000740275943 603303039 /nfs/dbraw/zinc/30/30/39/603303039.db2.gz YSDHYGWWRFNAKK-VHSXEESVSA-N -1 0 324.337 -0.901 20 0 DBADRM CN(CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-])S(C)(=O)=O ZINC000739623607 603311324 /nfs/dbraw/zinc/31/13/24/603311324.db2.gz HILAUKRYZXWAOQ-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)CN(CC1CC1)C(=O)[O-] ZINC000827481221 603317813 /nfs/dbraw/zinc/31/78/13/603317813.db2.gz UJMVBNUMBJIRCF-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000828543389 603317892 /nfs/dbraw/zinc/31/78/92/603317892.db2.gz VFFAGOBKEZMRIG-SECBINFHSA-N -1 0 300.359 -0.641 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)C[C@H](C)NC(=O)[O-] ZINC000827476416 603329771 /nfs/dbraw/zinc/32/97/71/603329771.db2.gz YMLXXJXYMKSEOT-VIFPVBQESA-N -1 0 309.388 -0.180 20 0 DBADRM CNS(=O)(=O)c1ccc(NC(=O)NCCNC(=O)[O-])cc1 ZINC000828584434 603331585 /nfs/dbraw/zinc/33/15/85/603331585.db2.gz CXWKWTPKZZCIHW-UHFFFAOYSA-N -1 0 316.339 -0.016 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)n1 ZINC000828700464 603333602 /nfs/dbraw/zinc/33/36/02/603333602.db2.gz VVLGPIDSVVKWIP-MRVPVSSYSA-N -1 0 311.298 -0.070 20 0 DBADRM NC(=O)Cn1cc(NC(=O)c2ccc(CNC(=O)[O-])o2)cn1 ZINC000831199935 603338187 /nfs/dbraw/zinc/33/81/87/603338187.db2.gz NORWFZZOYYRJRW-UHFFFAOYSA-N -1 0 307.266 -0.019 20 0 DBADRM C[C@@H](NC(=O)CN1CCN(C(=O)[O-])[C@H](C)C1)C(=O)N(C)C ZINC000738961087 603357555 /nfs/dbraw/zinc/35/75/55/603357555.db2.gz KXMVLMDMMKHZBS-NXEZZACHSA-N -1 0 300.359 -0.737 20 0 DBADRM C[C@@H]1CN(C(=S)NCCS(C)(=O)=O)CCN1C(=O)[O-] ZINC000739171860 603373987 /nfs/dbraw/zinc/37/39/87/603373987.db2.gz HQBFHBFILWZBTN-MRVPVSSYSA-N -1 0 309.413 -0.410 20 0 DBADRM CCN(CC(=O)N1CCC(C(=O)NCCOC)CC1)C(=O)[O-] ZINC000739387550 603377582 /nfs/dbraw/zinc/37/75/82/603377582.db2.gz ZVIUBVGZNPXQJJ-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM CCN(CC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000739389036 603379481 /nfs/dbraw/zinc/37/94/81/603379481.db2.gz FHCMDXMBJSLQKX-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM CCN(CC(=O)NC1CCN(CC(=O)NC)CC1)C(=O)[O-] ZINC000739392917 603379906 /nfs/dbraw/zinc/37/99/06/603379906.db2.gz NAMJRTFTNQCFLU-UHFFFAOYSA-N -1 0 300.359 -0.687 20 0 DBADRM NC(=O)C1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000740328603 603381348 /nfs/dbraw/zinc/38/13/48/603381348.db2.gz RUWANFZZMQBGDM-NSHDSACASA-N -1 0 313.354 -0.131 20 0 DBADRM CC(C)NC(=O)CNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000738854610 603384423 /nfs/dbraw/zinc/38/44/23/603384423.db2.gz DVLYGVFRERQFRY-JTQLQIEISA-N -1 0 301.343 -0.214 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])NCCNC(=O)C1CC1 ZINC000740363525 603384556 /nfs/dbraw/zinc/38/45/56/603384556.db2.gz JDJXXSSRFUHZAY-LLVKDONJSA-N -1 0 313.354 -0.212 20 0 DBADRM CC(C)NC(=O)CNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000738854611 603384714 /nfs/dbraw/zinc/38/47/14/603384714.db2.gz DVLYGVFRERQFRY-SNVBAGLBSA-N -1 0 301.343 -0.214 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC000740363684 603387270 /nfs/dbraw/zinc/38/72/70/603387270.db2.gz KCCBNNLOFNGQRS-ZJUUUORDSA-N -1 0 320.367 -0.551 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)COCCNC(=O)[O-] ZINC000739663851 603388964 /nfs/dbraw/zinc/38/89/64/603388964.db2.gz MTUHWLBBFAOGMS-VIFPVBQESA-N -1 0 308.356 -0.836 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739741391 603394873 /nfs/dbraw/zinc/39/48/73/603394873.db2.gz QCKRPAFFGAEQPD-UHFFFAOYSA-N -1 0 308.294 -0.081 20 0 DBADRM CN(C)C(=O)CCNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739595495 603395907 /nfs/dbraw/zinc/39/59/07/603395907.db2.gz BUZICWZTBIUMLA-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CN(C[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1)C(=O)[O-] ZINC000828181685 603403352 /nfs/dbraw/zinc/40/33/52/603403352.db2.gz VQJAYHDWJBFHTF-VIFPVBQESA-N -1 0 324.341 -0.775 20 0 DBADRM CCn1cc(NC(=O)C(=O)NCC[C@H](C)NC(=O)[O-])ccc1=O ZINC000739567008 603405941 /nfs/dbraw/zinc/40/59/41/603405941.db2.gz NYJKNFUBKLAWSD-VIFPVBQESA-N -1 0 324.337 -0.031 20 0 DBADRM C[C@H](CC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)NC(=O)[O-] ZINC000824621821 603406212 /nfs/dbraw/zinc/40/62/12/603406212.db2.gz HTLSTMREWVIFIW-BDAKNGLRSA-N -1 0 307.372 -0.427 20 0 DBADRM COCCN1C[C@@H](C(=O)NC[C@H](NC(=O)[O-])C(C)C)CC1=O ZINC000739831073 603410250 /nfs/dbraw/zinc/41/02/50/603410250.db2.gz YDRMOLIPSHDEME-QWRGUYRKSA-N -1 0 315.370 -0.110 20 0 DBADRM CC(C)[C@@H](NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C(N)=O ZINC000738789703 603413787 /nfs/dbraw/zinc/41/37/87/603413787.db2.gz NVFRYUFHYHFBQA-GXSJLCMTSA-N -1 0 301.343 -0.229 20 0 DBADRM Cn1ccc(NC(=O)C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)n1 ZINC000740291410 603415376 /nfs/dbraw/zinc/41/53/76/603415376.db2.gz BUQGHCCYORCQGG-VIFPVBQESA-N -1 0 309.326 -0.135 20 0 DBADRM Cc1ncc(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)[O-])cn1 ZINC000740234048 603417129 /nfs/dbraw/zinc/41/71/29/603417129.db2.gz ZLXFUDOBEUJJBF-JTQLQIEISA-N -1 0 307.310 -0.018 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000738951109 603419954 /nfs/dbraw/zinc/41/99/54/603419954.db2.gz PBZYZFFMFZQQFX-UWVGGRQHSA-N -1 0 322.383 -0.305 20 0 DBADRM CCN(CC(=O)NCCCN(CC)S(C)(=O)=O)C(=O)[O-] ZINC000739392542 603425700 /nfs/dbraw/zinc/42/57/00/603425700.db2.gz IWESSKIWQSTQKS-UHFFFAOYSA-N -1 0 309.388 -0.226 20 0 DBADRM CCN(CC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000739392443 603426160 /nfs/dbraw/zinc/42/61/60/603426160.db2.gz KHCPBMNSTYUILO-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CN1C[C@H](NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CCC1=O ZINC000739724329 603427090 /nfs/dbraw/zinc/42/70/90/603427090.db2.gz PVPZGJKYYKIYGB-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000737952561 603434525 /nfs/dbraw/zinc/43/45/25/603434525.db2.gz YSFBAKXNJFRDIB-SECBINFHSA-N -1 0 324.341 -0.305 20 0 DBADRM NC(=O)CN1C[C@H](OC(=O)CC2(NC(=O)[O-])CCC2)CC1=O ZINC000831189716 603437001 /nfs/dbraw/zinc/43/70/01/603437001.db2.gz DFWOETDCAKRHOL-MRVPVSSYSA-N -1 0 313.310 -0.804 20 0 DBADRM COC(=O)[C@@]1(NC(=O)C[C@@H]2CCCN2C(=O)[O-])CCOC1 ZINC000828624032 603441481 /nfs/dbraw/zinc/44/14/81/603441481.db2.gz KGEBSSQQIYRILB-TVQRCGJNSA-N -1 0 300.311 -0.033 20 0 DBADRM NC(=O)CN1C[C@H](OC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1=O ZINC000831190363 603448667 /nfs/dbraw/zinc/44/86/67/603448667.db2.gz VAWGFPAVIYFHNF-IWSPIJDZSA-N -1 0 313.310 -0.948 20 0 DBADRM O=C([O-])N1CC[C@@H](C(=O)N2CCN(CCn3cncn3)CC2)C1 ZINC000831864245 603451006 /nfs/dbraw/zinc/45/10/06/603451006.db2.gz RBWLHCCYGSUBGU-GFCCVEGCSA-N -1 0 322.369 -0.578 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)NCC(C)(C)NC(=O)[O-] ZINC000828096043 603456771 /nfs/dbraw/zinc/45/67/71/603456771.db2.gz UCEZGYORQIEEIF-UHFFFAOYSA-N -1 0 316.358 -0.467 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000829689131 603457834 /nfs/dbraw/zinc/45/78/34/603457834.db2.gz ZOGFPYXRSNIIEF-DTWKUNHWSA-N -1 0 307.372 -0.522 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000832263215 603458999 /nfs/dbraw/zinc/45/89/99/603458999.db2.gz QQWCXYKKVAEMLH-LPEHRKFASA-N -1 0 304.368 -0.026 20 0 DBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)CN1CCCS1(=O)=O ZINC000828129660 603462645 /nfs/dbraw/zinc/46/26/45/603462645.db2.gz UEJABJQWCVEMMG-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827474988 603467275 /nfs/dbraw/zinc/46/72/75/603467275.db2.gz CFGAPYMMUWQNIX-RKDXNWHRSA-N -1 0 307.372 -0.522 20 0 DBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000828151111 603476266 /nfs/dbraw/zinc/47/62/66/603476266.db2.gz RRZWGQLGZCMODD-UHFFFAOYSA-N -1 0 312.326 -0.148 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCCN(C(=O)[O-])CC2)nn1 ZINC000828804859 603478682 /nfs/dbraw/zinc/47/86/82/603478682.db2.gz SDAATDXPXYGYKC-UHFFFAOYSA-N -1 0 311.298 -0.723 20 0 DBADRM Cc1nc([C@@H]2CN(C(=O)NCCN(C)C(=O)[O-])CCO2)n[nH]1 ZINC000830677830 603481500 /nfs/dbraw/zinc/48/15/00/603481500.db2.gz JZZGPZWQADVJNR-VIFPVBQESA-N -1 0 312.330 -0.194 20 0 DBADRM NC(=O)Cn1cc(C(=O)NCCCN(C(=O)[O-])C2CC2)nn1 ZINC000831199978 603488161 /nfs/dbraw/zinc/48/81/61/603488161.db2.gz OVFAPAQROUWWBY-UHFFFAOYSA-N -1 0 310.314 -0.974 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)Cn1cnc2c1ncnc2N ZINC000824959739 603489548 /nfs/dbraw/zinc/48/95/48/603489548.db2.gz NPVWLCVLWFJCTD-SSDOTTSWSA-N -1 0 307.314 -0.477 20 0 DBADRM COC(=O)c1cn(CC(=O)N[C@H]2CCCN(C(=O)[O-])C2)nn1 ZINC000828805429 603492289 /nfs/dbraw/zinc/49/22/89/603492289.db2.gz XWKISFCNWKSSJH-QMMMGPOBSA-N -1 0 311.298 -0.677 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000824143528 603502802 /nfs/dbraw/zinc/50/28/02/603502802.db2.gz NMPSCVSZIFMTJG-ZJUUUORDSA-N -1 0 321.399 -0.229 20 0 DBADRM O=C(CCOCC1CC1)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000831433868 603505373 /nfs/dbraw/zinc/50/53/73/603505373.db2.gz XNYCILKISTYZCJ-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)[C@H]2CCCS2)CC1 ZINC000831616187 603507342 /nfs/dbraw/zinc/50/73/42/603507342.db2.gz PQLBKGAXJZWIPA-SECBINFHSA-N -1 0 301.368 -0.180 20 0 DBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)c1cn(CC(N)=O)nn1 ZINC000828150267 603507784 /nfs/dbraw/zinc/50/77/84/603507784.db2.gz GRAKZZDKPKEODH-UHFFFAOYSA-N -1 0 312.330 -0.871 20 0 DBADRM Cn1ccc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])cc1=O ZINC000828513033 603507859 /nfs/dbraw/zinc/50/78/59/603507859.db2.gz FOKBJMSDCGHKFY-NSHDSACASA-N -1 0 308.338 -0.591 20 0 DBADRM C[C@H](CC(=O)N[C@H]1CCN(C2CCOCC2)C1=O)NC(=O)[O-] ZINC000824622392 603515072 /nfs/dbraw/zinc/51/50/72/603515072.db2.gz LPIKWBVYCUVRBR-KOLCDFICSA-N -1 0 313.354 -0.071 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000827836221 603516533 /nfs/dbraw/zinc/51/65/33/603516533.db2.gz WLBDGMGUINVOQE-ZJUUUORDSA-N -1 0 319.383 -0.379 20 0 DBADRM Cc1cnn(CCC(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])c1 ZINC000830646566 603517137 /nfs/dbraw/zinc/51/71/37/603517137.db2.gz XJJRKPQHBIVKIV-LBPRGKRZSA-N -1 0 309.370 -0.008 20 0 DBADRM Cc1cnn(CCC(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])c1 ZINC000830646565 603517234 /nfs/dbraw/zinc/51/72/34/603517234.db2.gz XJJRKPQHBIVKIV-GFCCVEGCSA-N -1 0 309.370 -0.008 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000737609807 603523619 /nfs/dbraw/zinc/52/36/19/603523619.db2.gz SWKZPSNVRWGYEG-DTWKUNHWSA-N -1 0 307.372 -0.442 20 0 DBADRM CC(C)(CC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)NC(=O)[O-] ZINC000823881066 603524424 /nfs/dbraw/zinc/52/44/24/603524424.db2.gz AMBMQTMHVJJAQP-MRVPVSSYSA-N -1 0 307.372 -0.298 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000826742804 603524713 /nfs/dbraw/zinc/52/47/13/603524713.db2.gz FJAJQFADBVDXHH-BDAKNGLRSA-N -1 0 307.372 -0.298 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000827836245 603528589 /nfs/dbraw/zinc/52/85/89/603528589.db2.gz WZCHOBWGSGMEFS-VHSXEESVSA-N -1 0 321.337 -0.027 20 0 DBADRM Cc1oc(C(=O)NCCCN(C)C(=O)[O-])cc1S(N)(=O)=O ZINC000830942354 603531487 /nfs/dbraw/zinc/53/14/87/603531487.db2.gz JPMCKRQJJYAJNH-UHFFFAOYSA-N -1 0 319.339 -0.035 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)Cc2nc3ncccn3n2)C1 ZINC000827846825 603532541 /nfs/dbraw/zinc/53/25/41/603532541.db2.gz RWLLUNVEJANATG-VIFPVBQESA-N -1 0 304.310 -0.123 20 0 DBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)c2ncccn2)C1 ZINC000832647810 603534653 /nfs/dbraw/zinc/53/46/53/603534653.db2.gz OCEKVEKRHVSVNZ-JTQLQIEISA-N -1 0 321.337 -0.287 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000827841100 603542905 /nfs/dbraw/zinc/54/29/05/603542905.db2.gz MDEBEZNCISVOIW-VIFPVBQESA-N -1 0 310.310 -0.863 20 0 DBADRM C[C@@H]1CN(C(=O)NCC(C)(C)NC(=O)[O-])CCS1(=O)=O ZINC000825996574 603545253 /nfs/dbraw/zinc/54/52/53/603545253.db2.gz OCLHLKSHPQPOMI-MRVPVSSYSA-N -1 0 307.372 -0.139 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000827870470 603547224 /nfs/dbraw/zinc/54/72/24/603547224.db2.gz AYZSHSDGRNLJJS-SSDOTTSWSA-N -1 0 317.323 -0.249 20 0 DBADRM CS(=O)(=O)Cc1noc(CN2CCN(C(=O)[O-])CC2)n1 ZINC000829683480 603548370 /nfs/dbraw/zinc/54/83/70/603548370.db2.gz SVBFXRNCVUMXGA-UHFFFAOYSA-N -1 0 304.328 -0.590 20 0 DBADRM Cc1nc2n(n1)CCC[C@@H]2NC(=O)COC1CN(C(=O)[O-])C1 ZINC000830799741 603551787 /nfs/dbraw/zinc/55/17/87/603551787.db2.gz PRJFNEUMDNZRIY-JTQLQIEISA-N -1 0 309.326 -0.084 20 0 DBADRM CCCC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000826698744 603552233 /nfs/dbraw/zinc/55/22/33/603552233.db2.gz HWGNFOWQQBLHGF-UHFFFAOYSA-N -1 0 319.383 -0.377 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000824369981 603552294 /nfs/dbraw/zinc/55/22/94/603552294.db2.gz XSNNVFYZEPQBSX-LLVKDONJSA-N -1 0 314.386 -0.347 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000827967147 603558802 /nfs/dbraw/zinc/55/88/02/603558802.db2.gz RACHSNBNYCIUCJ-SECBINFHSA-N -1 0 324.341 -0.155 20 0 DBADRM Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000830800457 603559207 /nfs/dbraw/zinc/55/92/07/603559207.db2.gz ZZQNCVRERDQIQG-VHSXEESVSA-N -1 0 309.326 -0.084 20 0 DBADRM Cn1cc([C@H]2CN(C(=O)[C@@H]3COCCN3C(=O)[O-])CCO2)cn1 ZINC000831000271 603559828 /nfs/dbraw/zinc/55/98/28/603559828.db2.gz WXGKFRDOFGKPJX-NWDGAFQWSA-N -1 0 324.337 -0.301 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000829683637 603561290 /nfs/dbraw/zinc/56/12/90/603561290.db2.gz WXCDKVXVVOTARK-UHFFFAOYSA-N -1 0 319.383 -0.520 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)CC1CN(C(=O)[O-])C1 ZINC000827475485 603563293 /nfs/dbraw/zinc/56/32/93/603563293.db2.gz LFBZPYYCYYIBJH-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM NC(=O)c1cccc(CCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000831234948 603571916 /nfs/dbraw/zinc/57/19/16/603571916.db2.gz ZPWBHPFBIDBJLL-NEPJUHHUSA-N -1 0 321.333 -0.443 20 0 DBADRM CC(C)(C)[S@](=O)CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000823839385 603573680 /nfs/dbraw/zinc/57/36/80/603573680.db2.gz VJGMIMAQAPMSRA-SNGHESPRSA-N -1 0 306.384 -0.237 20 0 DBADRM CC(C)(C)[S@](=O)CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000823839386 603573708 /nfs/dbraw/zinc/57/37/08/603573708.db2.gz VJGMIMAQAPMSRA-ZUNJMDCASA-N -1 0 306.384 -0.237 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2CCC[C@H](CNC(=O)[O-])C2)c1=O ZINC000830964178 603582421 /nfs/dbraw/zinc/58/24/21/603582421.db2.gz PMKCCQDNBKKBIT-MRVPVSSYSA-N -1 0 310.310 -0.394 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H]1CS(=O)(=O)NC ZINC000827514839 603585120 /nfs/dbraw/zinc/58/51/20/603585120.db2.gz VETYQBDFJYHRGF-IUCAKERBSA-N -1 0 307.372 -0.427 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000828572332 603591838 /nfs/dbraw/zinc/59/18/38/603591838.db2.gz BNTJRODSPBBTFZ-DTWKUNHWSA-N -1 0 307.372 -0.427 20 0 DBADRM COC[C@H]1CN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)CCO1 ZINC000828930061 603591979 /nfs/dbraw/zinc/59/19/79/603591979.db2.gz NPPVLNBQYRZADX-LLVKDONJSA-N -1 0 313.354 -0.497 20 0 DBADRM CCCN(C(=O)CS(=O)(=O)NC)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826862390 603593044 /nfs/dbraw/zinc/59/30/44/603593044.db2.gz GMYACTIDGXJWLO-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CNS(=O)(=O)CC(=O)NCC[C@H]1CCCN(C(=O)[O-])C1 ZINC000828580354 603594092 /nfs/dbraw/zinc/59/40/92/603594092.db2.gz ZAHCWRXSSPETQP-SECBINFHSA-N -1 0 307.372 -0.568 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NC2CCC(NC(=O)[O-])CC2)c1=O ZINC000830964410 603594747 /nfs/dbraw/zinc/59/47/47/603594747.db2.gz RARWNAFQWDTOQM-UHFFFAOYSA-N -1 0 310.310 -0.206 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000828572997 603594859 /nfs/dbraw/zinc/59/48/59/603594859.db2.gz LWQCYAQPIJDJOP-IUCAKERBSA-N -1 0 307.372 -0.522 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)c1=O ZINC000830962858 603595015 /nfs/dbraw/zinc/59/50/15/603595015.db2.gz BXZAEFMYBHHMIR-ZDUSSCGKSA-N -1 0 310.310 -0.348 20 0 DBADRM CCCCN(C)S(=O)(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000826829442 603596570 /nfs/dbraw/zinc/59/65/70/603596570.db2.gz BGMPGSHOPGAWQU-LLVKDONJSA-N -1 0 322.431 -0.153 20 0 DBADRM CC(C)N1C(=O)C(=O)N(CN(C)[C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000824351208 603597177 /nfs/dbraw/zinc/59/71/77/603597177.db2.gz LOYTVLWARIDXTL-SECBINFHSA-N -1 0 312.326 -0.173 20 0 DBADRM CCCN1C(=O)C(=O)N(CN(C)[C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000826915954 603597439 /nfs/dbraw/zinc/59/74/39/603597439.db2.gz ALXVJKHOPBHVEO-VIFPVBQESA-N -1 0 312.326 -0.171 20 0 DBADRM CN(Cc1cnn(C)c1)CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O ZINC000828410880 603597594 /nfs/dbraw/zinc/59/75/94/603597594.db2.gz KJDXJNVQGPVDHW-LBPRGKRZSA-N -1 0 322.369 -0.091 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000824034400 603613669 /nfs/dbraw/zinc/61/36/69/603613669.db2.gz CRZCDOAWMYDTHI-QMMMGPOBSA-N -1 0 322.339 -0.821 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000827959789 603634740 /nfs/dbraw/zinc/63/47/40/603634740.db2.gz DDLQQHWXLJBXJI-UHFFFAOYSA-N -1 0 312.370 -0.781 20 0 DBADRM CCN(CC(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O)C(=O)[O-] ZINC000827002461 603640523 /nfs/dbraw/zinc/64/05/23/603640523.db2.gz MIKUSBDCSSQCIE-OQPBUACISA-N -1 0 312.326 -0.519 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)[C@H]1CCCN1C(=O)[O-])CC2 ZINC000831051217 603640901 /nfs/dbraw/zinc/64/09/01/603640901.db2.gz YQQYMMSLMBFLPW-LLVKDONJSA-N -1 0 306.322 -0.193 20 0 DBADRM NC(=O)COc1cccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000831194131 603641801 /nfs/dbraw/zinc/64/18/01/603641801.db2.gz HBYSOLHAMWKCQT-ONGXEEELSA-N -1 0 323.305 -0.398 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCc1nnc2n1CCCCC2 ZINC000831730828 603644655 /nfs/dbraw/zinc/64/46/55/603644655.db2.gz NUJSQVQPSSSULK-NXEZZACHSA-N -1 0 323.353 -0.266 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000828427260 603647706 /nfs/dbraw/zinc/64/77/06/603647706.db2.gz XSSGXLUEZVWKFY-DTWKUNHWSA-N -1 0 309.326 -0.704 20 0 DBADRM CN1C(=O)N[C@@]2(CCN(C(=O)C(C)(C)CNC(=O)[O-])C2)C1=O ZINC000828444785 603650584 /nfs/dbraw/zinc/65/05/84/603650584.db2.gz IASSDGFFZIKOEZ-CYBMUJFWSA-N -1 0 312.326 -0.567 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(c2cnccn2)CC1 ZINC000831273490 603653374 /nfs/dbraw/zinc/65/33/74/603653374.db2.gz RDYXYZMGHYLRMY-WDEREUQCSA-N -1 0 321.337 -0.762 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCc1cn2c(n1)CCCC2 ZINC000831704151 603653508 /nfs/dbraw/zinc/65/35/08/603653508.db2.gz JHXAUAXVKHUWRR-VXGBXAGGSA-N -1 0 322.365 -0.009 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)NCCCS(C)(=O)=O)C1 ZINC000827852710 603655559 /nfs/dbraw/zinc/65/55/59/603655559.db2.gz QJSBDPWTIZOOPI-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM C[C@@H](CC(=O)N1CCN(CC[S@@](C)=O)CC1)NC(=O)[O-] ZINC000824593490 603661028 /nfs/dbraw/zinc/66/10/28/603661028.db2.gz YCGZZZAJMBDHGV-WVDJIFEKSA-N -1 0 305.400 -0.445 20 0 DBADRM CN1CC(=O)N(CCCC(=O)NCC(C)(C)NC(=O)[O-])C1=O ZINC000828450940 603662151 /nfs/dbraw/zinc/66/21/51/603662151.db2.gz AZQPCFUYLVWMAU-UHFFFAOYSA-N -1 0 314.342 -0.177 20 0 DBADRM C[C@H]1CCCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]1CNC(=O)[O-] ZINC000825906754 603662863 /nfs/dbraw/zinc/66/28/63/603662863.db2.gz TXGYPOUNMAGEMW-VHSXEESVSA-N -1 0 321.399 -0.228 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000831757025 603670160 /nfs/dbraw/zinc/67/01/60/603670160.db2.gz IQJAEJAWCGXAJL-VHSXEESVSA-N -1 0 318.293 -0.286 20 0 DBADRM Cc1cc(=O)c(C(=O)NCCN2CCN(C(=O)[O-])CC2)c[nH]1 ZINC000829899467 603673047 /nfs/dbraw/zinc/67/30/47/603673047.db2.gz GHIFRHCCOAYDAH-UHFFFAOYSA-N -1 0 308.338 -0.291 20 0 DBADRM COC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000828684338 603674604 /nfs/dbraw/zinc/67/46/04/603674604.db2.gz SWSDKQXCKULWKU-AMIZOPFISA-N -1 0 313.310 -0.092 20 0 DBADRM CNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000828543836 603676196 /nfs/dbraw/zinc/67/61/96/603676196.db2.gz ZMHDQTSBKYEDFD-ISVAXAHUSA-N -1 0 312.326 -0.519 20 0 DBADRM C[C@H](Cn1cccn1)OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000825056495 603676856 /nfs/dbraw/zinc/67/68/56/603676856.db2.gz PQHFCOHOKUJRAO-SNVBAGLBSA-N -1 0 310.310 -0.363 20 0 DBADRM CC(C)(C(=O)NC[C@H]1COCCO1)N1CCN(C(=O)[O-])CC1 ZINC000823743399 603680049 /nfs/dbraw/zinc/68/00/49/603680049.db2.gz DTJBGXOBRNYDPA-NSHDSACASA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000824750328 603681176 /nfs/dbraw/zinc/68/11/76/603681176.db2.gz CGRCZMBDVONEPS-QMMMGPOBSA-N -1 0 324.341 -0.413 20 0 DBADRM C[C@@H](CC(=O)N1CCSC[C@H]1S(C)(=O)=O)NC(=O)[O-] ZINC000824598375 603682114 /nfs/dbraw/zinc/68/21/14/603682114.db2.gz CMBDYMDOJIMNRN-IONNQARKSA-N -1 0 310.397 -0.021 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCCN(C(=O)[O-])CC1 ZINC000827046328 603684072 /nfs/dbraw/zinc/68/40/72/603684072.db2.gz SFDMMTBGHSXQNO-UHFFFAOYSA-N -1 0 321.399 -0.130 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)C(=O)C(C)(C)C ZINC000828090757 603684113 /nfs/dbraw/zinc/68/41/13/603684113.db2.gz RFJLGTVSNXEGIR-UHFFFAOYSA-N -1 0 313.354 -0.118 20 0 DBADRM CCN(CC(=O)N1CCSC[C@@H]1S(C)(=O)=O)C(=O)[O-] ZINC000826996612 603684368 /nfs/dbraw/zinc/68/43/68/603684368.db2.gz FBZRKXRWCIMXGI-VIFPVBQESA-N -1 0 310.397 -0.068 20 0 DBADRM COCC(=O)N[C@H](C(=O)N(C)[C@H]1CCN(C(=O)[O-])C1)C(C)C ZINC000828886788 603685136 /nfs/dbraw/zinc/68/51/36/603685136.db2.gz XCKYHDLUQGTXFM-JQWIXIFHSA-N -1 0 315.370 -0.016 20 0 DBADRM Cc1nc(C)c(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)o1 ZINC000830716679 603686662 /nfs/dbraw/zinc/68/66/62/603686662.db2.gz VTNNIMIZBYDZOC-UHFFFAOYSA-N -1 0 310.310 -0.157 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000823950384 603691932 /nfs/dbraw/zinc/69/19/32/603691932.db2.gz AUBZAKLNPCFYHV-UHFFFAOYSA-N -1 0 314.386 -0.312 20 0 DBADRM CC(=O)NCC1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000823579813 603692865 /nfs/dbraw/zinc/69/28/65/603692865.db2.gz MBROZZDDCADEJR-RYUDHWBXSA-N -1 0 313.354 -0.526 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)[O-] ZINC000825508671 603693583 /nfs/dbraw/zinc/69/35/83/603693583.db2.gz JHIMCTJSZVPZMO-UTLUCORTSA-N -1 0 321.399 -0.181 20 0 DBADRM CN(C(=O)Cc1nc2ncccn2n1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827781480 603697135 /nfs/dbraw/zinc/69/71/35/603697135.db2.gz JSLMXFQOXAHGAE-SECBINFHSA-N -1 0 304.310 -0.123 20 0 DBADRM NC(=O)c1nccnc1C(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000831240780 603698772 /nfs/dbraw/zinc/69/87/72/603698772.db2.gz QEVURHJRNHYNJY-MRVPVSSYSA-N -1 0 307.310 -0.162 20 0 DBADRM NC(=O)NCc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000831207877 603701205 /nfs/dbraw/zinc/70/12/05/603701205.db2.gz FYLBQKITESLXET-WDEREUQCSA-N -1 0 322.321 -0.093 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCCC[C@H]1CNC(=O)[O-] ZINC000825508125 603702287 /nfs/dbraw/zinc/70/22/87/603702287.db2.gz GRBNOXRWBPDAFY-IUCAKERBSA-N -1 0 307.372 -0.427 20 0 DBADRM CN(C(=O)CCn1cc[nH]c(=O)c1=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827759418 603710394 /nfs/dbraw/zinc/71/03/94/603710394.db2.gz SOYKBPBCQJAAIE-VIFPVBQESA-N -1 0 310.310 -0.863 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3CCN(C(=O)[O-])C3)CCN2C1=O ZINC000827200068 603713491 /nfs/dbraw/zinc/71/34/91/603713491.db2.gz RCZWLRMNAABHSW-UWVGGRQHSA-N -1 0 324.337 -0.519 20 0 DBADRM CN(C(=O)c1ccc(S(N)(=O)=O)o1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827938914 603714566 /nfs/dbraw/zinc/71/45/66/603714566.db2.gz SYVYFDKUBYAMLL-SSDOTTSWSA-N -1 0 317.323 -0.249 20 0 DBADRM CC(C)(NC(=O)[O-])c1noc(CN2C[C@H](O)C[C@H](O)C2)n1 ZINC000824029801 603715203 /nfs/dbraw/zinc/71/52/03/603715203.db2.gz ONNDRGJFNNOFNJ-OCAPTIKFSA-N -1 0 300.315 -0.500 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000825695627 603728953 /nfs/dbraw/zinc/72/89/53/603728953.db2.gz CRQDFZQJSLYLEI-MRVPVSSYSA-N -1 0 312.326 -0.567 20 0 DBADRM O=C([O-])N1CCC(NC(=O)NCc2nnnn2C2CC2)CC1 ZINC000831730981 603732744 /nfs/dbraw/zinc/73/27/44/603732744.db2.gz OWTZTENVOGFBSP-UHFFFAOYSA-N -1 0 309.330 -0.050 20 0 DBADRM CO[C@H](CNC(=O)CN1CCN(C(=O)[O-])CC1=O)C(C)C ZINC000828842629 603736042 /nfs/dbraw/zinc/73/60/42/603736042.db2.gz BGDASYYXWHRELB-SNVBAGLBSA-N -1 0 301.343 -0.404 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCC(=O)Nc1ccccn1 ZINC000831433008 603736129 /nfs/dbraw/zinc/73/61/29/603736129.db2.gz OREWRWMFSDJRNH-UWVGGRQHSA-N -1 0 322.321 -0.360 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCC(=O)Nc1ccccn1 ZINC000831432986 603736222 /nfs/dbraw/zinc/73/62/22/603736222.db2.gz OREWRWMFSDJRNH-NXEZZACHSA-N -1 0 322.321 -0.360 20 0 DBADRM CCN(CC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O)C(=O)[O-] ZINC000827002798 603736750 /nfs/dbraw/zinc/73/67/50/603736750.db2.gz SSGWSODXPSNDLR-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM CCC[C@H](CCO)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000826736890 603737129 /nfs/dbraw/zinc/73/71/29/603737129.db2.gz XHTXHMMLDJXOCV-LLVKDONJSA-N -1 0 315.370 -0.277 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000829797047 603737271 /nfs/dbraw/zinc/73/72/71/603737271.db2.gz YDAOXDXNXBRREH-VGMNWLOBSA-N -1 0 307.372 -0.523 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N(C)CCN1CCCS1(=O)=O ZINC000824824401 603742016 /nfs/dbraw/zinc/74/20/16/603742016.db2.gz LFMGSEFXXRMEBE-SNVBAGLBSA-N -1 0 321.399 -0.274 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CC(Oc2ccncc2)C1 ZINC000831273073 603743064 /nfs/dbraw/zinc/74/30/64/603743064.db2.gz NXZKTOZAEAZSHJ-BXKDBHETSA-N -1 0 307.306 -0.216 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)CC1(NC(=O)[O-])CCC1 ZINC000828641358 603743619 /nfs/dbraw/zinc/74/36/19/603743619.db2.gz PDVMVAKTDBXTKM-VIFPVBQESA-N -1 0 300.311 -0.033 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000828641880 603743841 /nfs/dbraw/zinc/74/38/41/603743841.db2.gz RPIGWSFEYOFSFD-UWVGGRQHSA-N -1 0 300.311 -0.223 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828639310 603743872 /nfs/dbraw/zinc/74/38/72/603743872.db2.gz FZXYSLYUKMGARP-GUBZILKMSA-N -1 0 300.311 -0.177 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCCNC(=O)c1ccccc1 ZINC000831534136 603744067 /nfs/dbraw/zinc/74/40/67/603744067.db2.gz VCJGVNTYJATIBG-UHFFFAOYSA-N -1 0 321.333 -0.089 20 0 DBADRM Cn1c(=O)cc(COC(=O)C(C)(C)CNC(=O)[O-])n(C)c1=O ZINC000830974288 603748860 /nfs/dbraw/zinc/74/88/60/603748860.db2.gz JFGKZMJTBOGRPG-UHFFFAOYSA-N -1 0 313.310 -0.579 20 0 DBADRM Cn1ccc(NC(=O)C(=O)N2CCC[C@H](CNC(=O)[O-])C2)n1 ZINC000831022111 603755067 /nfs/dbraw/zinc/75/50/67/603755067.db2.gz BFELJWSQQMGCFR-SECBINFHSA-N -1 0 309.326 -0.135 20 0 DBADRM CCCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826853206 603755538 /nfs/dbraw/zinc/75/55/38/603755538.db2.gz JHNMDTIFEXFZLG-VHSXEESVSA-N -1 0 321.399 -0.085 20 0 DBADRM CC(=O)N1CCC(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000823549908 603757459 /nfs/dbraw/zinc/75/74/59/603757459.db2.gz LTNGQHOSXANWSD-NWDGAFQWSA-N -1 0 313.354 -0.526 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H]1Cn1cccn1 ZINC000831274745 603761194 /nfs/dbraw/zinc/76/11/94/603761194.db2.gz XYPHUIQQSIYUFC-UTUOFQBUSA-N -1 0 308.338 -0.013 20 0 DBADRM COC(=O)C1CCC(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000828625289 603761807 /nfs/dbraw/zinc/76/18/07/603761807.db2.gz YNYVKMPBIZOIEI-JPPWEJMLSA-N -1 0 314.338 -0.052 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000824750200 603763339 /nfs/dbraw/zinc/76/33/39/603763339.db2.gz BTWUIQUBVBMBSG-LURJTMIESA-N -1 0 309.282 -0.510 20 0 DBADRM COC(=O)[C@]1(F)CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000828619352 603765062 /nfs/dbraw/zinc/76/50/62/603765062.db2.gz VXNGDAFIEXFICU-UFBFGSQYSA-N -1 0 304.274 -0.521 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCCN1C(=O)CSC1=O ZINC000831533523 603765979 /nfs/dbraw/zinc/76/59/79/603765979.db2.gz NERVWWFAJHURAV-UHFFFAOYSA-N -1 0 317.323 -0.823 20 0 DBADRM C[C@H](CC(=O)N[C@H](CC(N)=O)C1CCOCC1)NC(=O)[O-] ZINC000824615293 603766114 /nfs/dbraw/zinc/76/61/14/603766114.db2.gz SIXVXNKTBAYNHM-PSASIEDQSA-N -1 0 301.343 -0.181 20 0 DBADRM O=C([O-])N1CC(OCC(=O)NCC(=O)Nc2cccnc2)C1 ZINC000831528717 603766589 /nfs/dbraw/zinc/76/65/89/603766589.db2.gz AJPNXNPTMLFWIK-UHFFFAOYSA-N -1 0 308.294 -0.485 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)COC1CN(C(=O)[O-])C1 ZINC000823833931 603767191 /nfs/dbraw/zinc/76/71/91/603767191.db2.gz XIRQBARURJUPJO-UHFFFAOYSA-N -1 0 322.383 -0.305 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)C[C@@H]2CCCN2C(=O)[O-])C1 ZINC000827960191 603772443 /nfs/dbraw/zinc/77/24/43/603772443.db2.gz HACSQPCNLVGWDB-JTQLQIEISA-N -1 0 313.354 -0.166 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000826744352 603772551 /nfs/dbraw/zinc/77/25/51/603772551.db2.gz PDICEOIWBJJYHT-SNVBAGLBSA-N -1 0 301.343 -0.262 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)C[C@H]2CCCN2C(=O)[O-])C1 ZINC000827960192 603772593 /nfs/dbraw/zinc/77/25/93/603772593.db2.gz HACSQPCNLVGWDB-SNVBAGLBSA-N -1 0 313.354 -0.166 20 0 DBADRM CC[C@@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000826594622 603773801 /nfs/dbraw/zinc/77/38/01/603773801.db2.gz XCNBTFUEYAKMDR-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC(NC(=O)[O-])CC2)cnn1C ZINC000829877381 603774597 /nfs/dbraw/zinc/77/45/97/603774597.db2.gz NGBLNLHSTXGYCV-UHFFFAOYSA-N -1 0 309.326 -0.074 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)[O-])CCO1 ZINC000828662785 603775494 /nfs/dbraw/zinc/77/54/94/603775494.db2.gz FZYWWBOMWRJJJC-RKDXNWHRSA-N -1 0 318.351 -0.170 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000828664382 603776132 /nfs/dbraw/zinc/77/61/32/603776132.db2.gz ZMUGZEKSBPEQJT-ZANVPECISA-N -1 0 318.301 -0.131 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H](CNC(=O)[O-])C2CC2)cnn1C ZINC000829877700 603776721 /nfs/dbraw/zinc/77/67/21/603776721.db2.gz RAKIZHNERIQYBH-JTQLQIEISA-N -1 0 309.326 -0.171 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)NC[C@@H]2CCCN2C(=O)[O-])cn1 ZINC000830993622 603777788 /nfs/dbraw/zinc/77/77/88/603777788.db2.gz KMUGKMWJFOOUJV-QWRGUYRKSA-N -1 0 311.342 -0.105 20 0 DBADRM COC1(C(=O)O[C@H](C)C(=O)NC(N)=O)CCN(C(=O)[O-])CC1 ZINC000828864501 603778141 /nfs/dbraw/zinc/77/81/41/603778141.db2.gz HECXOCXQIPHZGF-SSDOTTSWSA-N -1 0 317.298 -0.728 20 0 DBADRM CNC(=O)Cc1noc(CN2CCC[C@@H]2CN(C)C(=O)[O-])n1 ZINC000828547625 603780082 /nfs/dbraw/zinc/78/00/82/603780082.db2.gz URPJZTIYJNEXEN-SECBINFHSA-N -1 0 311.342 -0.068 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000827266586 603780817 /nfs/dbraw/zinc/78/08/17/603780817.db2.gz UZZWFPPDRYHXEK-VIFPVBQESA-N -1 0 322.387 -0.633 20 0 DBADRM CCCS(=O)(=O)CC(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000826945185 603781234 /nfs/dbraw/zinc/78/12/34/603781234.db2.gz VCBKGHTUUKUUGL-VIFPVBQESA-N -1 0 307.324 -0.324 20 0 DBADRM O=C(COC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)NC[C@H]1CCCO1 ZINC000831499681 603782372 /nfs/dbraw/zinc/78/23/72/603782372.db2.gz UOMNNWGKNHGVSK-NOZJJQNGSA-N -1 0 318.301 -0.083 20 0 DBADRM Nc1nc(N)nc(COC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)n1 ZINC000831266153 603784284 /nfs/dbraw/zinc/78/42/84/603784284.db2.gz ZJYNNLOIXGRFQH-SNVBAGLBSA-N -1 0 300.250 -0.829 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])CC(F)(F)F ZINC000828320923 603786415 /nfs/dbraw/zinc/78/64/15/603786415.db2.gz AAKCVVUEVCRYNP-SFYZADRCSA-N -1 0 313.276 -0.290 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCN1CCSCC1 ZINC000831689683 603789219 /nfs/dbraw/zinc/78/92/19/603789219.db2.gz VWKGARVPOJXKMH-NXEZZACHSA-N -1 0 303.384 -0.735 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N[C@@H]1CCN(C(N)=O)C1 ZINC000826110123 603789955 /nfs/dbraw/zinc/78/99/55/603789955.db2.gz OSWIVNMKWQRHGQ-YIZRAAEISA-N -1 0 314.342 -0.241 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)OCCN2C(=O)CNC2=O)C1 ZINC000831915252 603790615 /nfs/dbraw/zinc/79/06/15/603790615.db2.gz WNLBPBKOZALQTL-NSHDSACASA-N -1 0 303.246 -0.827 20 0 DBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)CNC(=O)[O-])C[C@@H]2C)CC1 ZINC000823562288 603792665 /nfs/dbraw/zinc/79/26/65/603792665.db2.gz SMJRWNFBUITNFM-CMPLNLGQSA-N -1 0 312.370 -0.735 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000828601129 603793335 /nfs/dbraw/zinc/79/33/35/603793335.db2.gz MPMLXKZRDVVRAF-BDAKNGLRSA-N -1 0 308.356 -0.191 20 0 DBADRM C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H](C)N1C(=O)[O-] ZINC000826041805 603794409 /nfs/dbraw/zinc/79/44/09/603794409.db2.gz KDJWNIFTQXDZMP-OCAPTIKFSA-N -1 0 307.310 -0.212 20 0 DBADRM C[C@@H](OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000825543400 603794778 /nfs/dbraw/zinc/79/47/78/603794778.db2.gz CPQXDKRQTAHQMW-NOZJJQNGSA-N -1 0 318.301 -0.131 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)OCC(=O)NC(=O)NC2CC2)C1 ZINC000831500348 603795501 /nfs/dbraw/zinc/79/55/01/603795501.db2.gz WLFXRFALQZFQKK-GFCCVEGCSA-N -1 0 317.273 -0.390 20 0 DBADRM CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828552381 603797262 /nfs/dbraw/zinc/79/72/62/603797262.db2.gz PTCNZDFQFBGBMN-KSBSHMNSSA-N -1 0 305.262 -0.534 20 0 DBADRM C[C@@H](OC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)N1CCNC1=O ZINC000825544234 603800203 /nfs/dbraw/zinc/80/02/03/603800203.db2.gz KRCTVTJTUQEWFA-KRTXAFLBSA-N -1 0 317.273 -0.438 20 0 DBADRM COC(=O)C1(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CCCC1 ZINC000828618828 603803641 /nfs/dbraw/zinc/80/36/41/603803641.db2.gz QWROZBVAKKKYCW-NXEZZACHSA-N -1 0 314.338 -0.051 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000828312199 603804021 /nfs/dbraw/zinc/80/40/21/603804021.db2.gz HTFFLHKTMSRNBF-JTQLQIEISA-N -1 0 319.383 -0.377 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828639905 603808157 /nfs/dbraw/zinc/80/81/57/603808157.db2.gz IQEGKQASIVBXRJ-QPUJVOFHSA-N -1 0 304.274 -0.521 20 0 DBADRM Cn1cc([C@@H]2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])C2)cn1 ZINC000830995328 603808442 /nfs/dbraw/zinc/80/84/42/603808442.db2.gz YZJQPWYFPNWZFW-ADEWGFFLSA-N -1 0 308.338 -0.151 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N[C@H](CC(N)=O)C1CCOCC1 ZINC000827518375 603814162 /nfs/dbraw/zinc/81/41/62/603814162.db2.gz JGOLHSOBIFSQTO-VHSXEESVSA-N -1 0 301.343 -0.181 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(Cc2nc(CS(C)(=O)=O)no2)C1 ZINC000827890376 603814701 /nfs/dbraw/zinc/81/47/01/603814701.db2.gz PXODRVLWLCFQFO-MRVPVSSYSA-N -1 0 318.355 -0.202 20 0 DBADRM CN(C(=O)[C@@]1(F)CCN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000827739603 603816904 /nfs/dbraw/zinc/81/69/04/603816904.db2.gz QFSPQAXOHLLSPL-GZMMTYOYSA-N -1 0 308.331 -0.276 20 0 DBADRM CN(C(=O)[C@@]1(F)CCN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000827739606 603816952 /nfs/dbraw/zinc/81/69/52/603816952.db2.gz QFSPQAXOHLLSPL-LDYMZIIASA-N -1 0 308.331 -0.276 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000829797016 603819184 /nfs/dbraw/zinc/81/91/84/603819184.db2.gz LAHMPNJMCTVLTO-BFHDXFOESA-N -1 0 312.326 -0.521 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000828684155 603821202 /nfs/dbraw/zinc/82/12/02/603821202.db2.gz QKXFBNXHAYOCEI-BDAKNGLRSA-N -1 0 316.310 -0.260 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@H]2CCCCN2C(=O)[O-])C1 ZINC000827961166 603821676 /nfs/dbraw/zinc/82/16/76/603821676.db2.gz RBCIHNUKTUAIOF-LLVKDONJSA-N -1 0 313.354 -0.166 20 0 DBADRM CCn1nc(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)ccc1=O ZINC000827711678 603822813 /nfs/dbraw/zinc/82/28/13/603822813.db2.gz XSMZTYOCISEWKL-SNVBAGLBSA-N -1 0 309.278 -0.259 20 0 DBADRM CCOC(=O)C1(O)CCN(C(=O)[C@H](CC)NC(=O)[O-])CC1 ZINC000827290728 603822913 /nfs/dbraw/zinc/82/29/13/603822913.db2.gz IVKXPHIYUCXQAK-VIFPVBQESA-N -1 0 302.327 -0.051 20 0 DBADRM CC(C)[C@H](CCN(C)CC(=O)N1CCNC(=O)C1)NC(=O)[O-] ZINC000824100685 603823290 /nfs/dbraw/zinc/82/32/90/603823290.db2.gz YQTXFGBCMWMSKJ-NSHDSACASA-N -1 0 314.386 -0.441 20 0 DBADRM C[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])CN1CCOCC1 ZINC000824915252 603823719 /nfs/dbraw/zinc/82/37/19/603823719.db2.gz KIYWYNXTXUAPJP-IJLUTSLNSA-N -1 0 315.370 -0.816 20 0 DBADRM C[C@H](CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])CN1CCOCC1 ZINC000824915251 603823873 /nfs/dbraw/zinc/82/38/73/603823873.db2.gz KIYWYNXTXUAPJP-GRYCIOLGSA-N -1 0 315.370 -0.816 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])CN1CCOCC1 ZINC000824915253 603823881 /nfs/dbraw/zinc/82/38/81/603823881.db2.gz KIYWYNXTXUAPJP-UTUOFQBUSA-N -1 0 315.370 -0.816 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCCNC(=O)C1CCC1 ZINC000831676120 603824308 /nfs/dbraw/zinc/82/43/08/603824308.db2.gz LVWXBQRYKGUZEZ-QWRGUYRKSA-N -1 0 313.354 -0.478 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)C(=O)N(C)C ZINC000738952580 603824319 /nfs/dbraw/zinc/82/43/19/603824319.db2.gz VMTNMGKRHMSSNJ-SNVBAGLBSA-N -1 0 314.386 -0.347 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000831806347 603825245 /nfs/dbraw/zinc/82/52/45/603825245.db2.gz NXDIZPVUKXCOEQ-ZJUUUORDSA-N -1 0 318.293 -0.286 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000831806346 603825567 /nfs/dbraw/zinc/82/55/67/603825567.db2.gz NXDIZPVUKXCOEQ-VHSXEESVSA-N -1 0 318.293 -0.286 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[O-])CCN2C1=O ZINC000827200023 603827912 /nfs/dbraw/zinc/82/79/12/603827912.db2.gz QVMUTZIJUWAUMI-VHSXEESVSA-N -1 0 324.337 -0.376 20 0 DBADRM C[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@H]1NC(=O)[O-] ZINC000826042844 603828509 /nfs/dbraw/zinc/82/85/09/603828509.db2.gz UHHGVXMBAGKQSZ-JGVFFNPUSA-N -1 0 307.310 -0.306 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCCC(=O)N2CCOCC2)C1 ZINC000831903070 603828652 /nfs/dbraw/zinc/82/86/52/603828652.db2.gz SNCWDCUBGSCEJS-ZDUSSCGKSA-N -1 0 317.317 -0.557 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000829733512 603828616 /nfs/dbraw/zinc/82/86/16/603828616.db2.gz ZQEPCKSRIGXRPC-BDAKNGLRSA-N -1 0 316.383 -0.388 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000831272521 603831119 /nfs/dbraw/zinc/83/11/19/603831119.db2.gz KDMNKNUPGHWOGQ-FWWHASMVSA-N -1 0 312.244 -0.375 20 0 DBADRM CCOC(=O)C1(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CCC1 ZINC000827289078 603831759 /nfs/dbraw/zinc/83/17/59/603831759.db2.gz BBECIPBGDFCMAF-ZJUUUORDSA-N -1 0 314.338 -0.051 20 0 DBADRM CCOC(=O)C1(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CCC1 ZINC000827289076 603831934 /nfs/dbraw/zinc/83/19/34/603831934.db2.gz BBECIPBGDFCMAF-VHSXEESVSA-N -1 0 314.338 -0.051 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000831901278 603833853 /nfs/dbraw/zinc/83/38/53/603833853.db2.gz GGTNPRQSJRGZLS-KCJUWKMLSA-N -1 0 308.331 -0.371 20 0 DBADRM O=C([O-])N1CC(CC(=O)NCC2(O)CCS(=O)(=O)CC2)C1 ZINC000831355391 603834072 /nfs/dbraw/zinc/83/40/72/603834072.db2.gz LYDOVZGDIQNDAI-UHFFFAOYSA-N -1 0 320.367 -0.958 20 0 DBADRM CC(C)(C)OC(=O)CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000823785758 603834725 /nfs/dbraw/zinc/83/47/25/603834725.db2.gz RGPRPYZDSNTKOI-IUCAKERBSA-N -1 0 302.327 -0.052 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000827475035 603837425 /nfs/dbraw/zinc/83/74/25/603837425.db2.gz DMXDWSYWSDHPRW-JTQLQIEISA-N -1 0 311.335 -0.866 20 0 DBADRM C[C@@H](CNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)N1CCOCC1 ZINC000824916576 603837700 /nfs/dbraw/zinc/83/77/00/603837700.db2.gz SSFCWAQZCIYDHR-GXFFZTMASA-N -1 0 303.334 -0.085 20 0 DBADRM CN(CC(C)(C)O)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000828153816 603839736 /nfs/dbraw/zinc/83/97/36/603839736.db2.gz CEQYJKDJLQIRFD-UHFFFAOYSA-N -1 0 302.375 -0.306 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000827045886 603840132 /nfs/dbraw/zinc/84/01/32/603840132.db2.gz MKBGPDLUQGJIOG-JTQLQIEISA-N -1 0 321.399 -0.131 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(CC(=O)NCC(=O)NC(C)(C)C)C1 ZINC000827883173 603844859 /nfs/dbraw/zinc/84/48/59/603844859.db2.gz XEXGRXCVRFRCIB-SNVBAGLBSA-N -1 0 314.386 -0.299 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C[C@H]1C ZINC000825528512 603845279 /nfs/dbraw/zinc/84/52/79/603845279.db2.gz OOULCMFOGJKDGN-KXNHARMFSA-N -1 0 315.370 -0.987 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-])C(=O)N1CCNC1=O ZINC000825561849 603846631 /nfs/dbraw/zinc/84/66/31/603846631.db2.gz RLOGYVJGTCGKSR-DJLDLDEBSA-N -1 0 313.310 -0.094 20 0 DBADRM O=C([O-])N(CCNC(=O)N1CCN2C(=O)NC[C@@H]2C1)C1CC1 ZINC000831685301 603847921 /nfs/dbraw/zinc/84/79/21/603847921.db2.gz ONGCNVDCSUVDHC-SNVBAGLBSA-N -1 0 311.342 -0.452 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)OCCOCC1CC1 ZINC000831489882 603854347 /nfs/dbraw/zinc/85/43/47/603854347.db2.gz XPJJAOKZUVXBOD-UHFFFAOYSA-N -1 0 300.311 -0.222 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000824387377 603857932 /nfs/dbraw/zinc/85/79/32/603857932.db2.gz DTRLNQIOLYNOCK-OPRDCNLKSA-N -1 0 302.327 -0.197 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828950656 603864084 /nfs/dbraw/zinc/86/40/84/603864084.db2.gz OEKPJSBZNKASKO-CYBMUJFWSA-N -1 0 319.333 -0.311 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CCN2C(=O)NC[C@@H]2C1)NC(=O)[O-] ZINC000824117675 603867548 /nfs/dbraw/zinc/86/75/48/603867548.db2.gz QVSGCOBLNYXANZ-NXEZZACHSA-N -1 0 313.358 -0.302 20 0 DBADRM C[C@H]1CN(CCNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000826057089 603869783 /nfs/dbraw/zinc/86/97/83/603869783.db2.gz GMAZUQZYFGTNAB-GWCFXTLKSA-N -1 0 303.334 -0.085 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)OCC(=O)N2CCNC2=O)C1 ZINC000832332549 603872082 /nfs/dbraw/zinc/87/20/82/603872082.db2.gz NINMWUSGYOBFGJ-DTWKUNHWSA-N -1 0 313.310 -0.092 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)OCC(=O)N2CCNC2=O)C1 ZINC000832332550 603872149 /nfs/dbraw/zinc/87/21/49/603872149.db2.gz NINMWUSGYOBFGJ-IUCAKERBSA-N -1 0 313.310 -0.092 20 0 DBADRM Cn1ncnc1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000831058593 603873727 /nfs/dbraw/zinc/87/37/27/603873727.db2.gz KKRFMEHYXGYMGX-UHFFFAOYSA-N -1 0 308.298 -0.621 20 0 DBADRM CN(C(=S)NCCNS(C)(=O)=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827951686 603879300 /nfs/dbraw/zinc/87/93/00/603879300.db2.gz YOMKRNGJLYUYMW-MRVPVSSYSA-N -1 0 324.428 -0.906 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000828639014 603880356 /nfs/dbraw/zinc/88/03/56/603880356.db2.gz DRPWLQNKHWIGFM-PRHODGIISA-N -1 0 304.274 -0.521 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000825527590 603883400 /nfs/dbraw/zinc/88/34/00/603883400.db2.gz FEMIZYVLMRVCNS-MFKMUULPSA-N -1 0 303.334 -0.397 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000825527585 603883559 /nfs/dbraw/zinc/88/35/59/603883559.db2.gz FEMIZYVLMRVCNS-GWCFXTLKSA-N -1 0 303.334 -0.397 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000828950950 603898319 /nfs/dbraw/zinc/89/83/19/603898319.db2.gz YBIQDWLMJXNGSD-AWEZNQCLSA-N -1 0 315.370 -0.013 20 0 DBADRM CN(CC(=O)NCC1(O)CCC2(CC1)OCCO2)C(=O)[O-] ZINC000828107778 603905435 /nfs/dbraw/zinc/90/54/35/603905435.db2.gz FEVMYRYOQCXEKT-UHFFFAOYSA-N -1 0 302.327 -0.239 20 0 DBADRM CCOCCNC(=O)COC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000827405989 603907535 /nfs/dbraw/zinc/90/75/35/603907535.db2.gz XHDASNOUDCZOMX-VIFPVBQESA-N -1 0 304.299 -0.939 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)NCc1nnnn1C1CC1 ZINC000826025547 603908290 /nfs/dbraw/zinc/90/82/90/603908290.db2.gz ATBKPEFJCMUVQB-QMMMGPOBSA-N -1 0 309.330 -0.098 20 0 DBADRM O=C([O-])N[C@@H]1CCCN(C(=O)NCc2nnnn2C2CC2)C1 ZINC000832365416 603908975 /nfs/dbraw/zinc/90/89/75/603908975.db2.gz IZVLFOYEROBWKQ-MRVPVSSYSA-N -1 0 309.330 -0.050 20 0 DBADRM CCOCCS(=O)(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000827406229 603910891 /nfs/dbraw/zinc/91/08/91/603910891.db2.gz YXMSOWALWFVVBY-UHFFFAOYSA-N -1 0 323.415 -0.372 20 0 DBADRM C[C@@H](OC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C(=O)NC(N)=O ZINC000825591979 603910888 /nfs/dbraw/zinc/91/08/88/603910888.db2.gz DUJDJAXEQDYTPW-SFYZADRCSA-N -1 0 317.298 -0.728 20 0 DBADRM CN(CCNC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)[O-] ZINC000828329389 603917249 /nfs/dbraw/zinc/91/72/49/603917249.db2.gz CXJMRLMBADDEOO-UHFFFAOYSA-N -1 0 319.339 -0.332 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)cn1 ZINC000830995316 603920477 /nfs/dbraw/zinc/92/04/77/603920477.db2.gz YRRYSXYXYDNTDL-CABZTGNLSA-N -1 0 300.290 -0.338 20 0 DBADRM C[C@H](COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])CS(C)(=O)=O ZINC000824980460 603925067 /nfs/dbraw/zinc/92/50/67/603925067.db2.gz PFYHGDLEGCOGER-HRDYMLBCSA-N -1 0 309.340 -0.677 20 0 DBADRM C[C@H](COC(=O)[C@H]1COCCN1C(=O)[O-])CS(C)(=O)=O ZINC000824987542 603925172 /nfs/dbraw/zinc/92/51/72/603925172.db2.gz NIHXLYUFCICHBZ-RKDXNWHRSA-N -1 0 309.340 -0.411 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])N[C@H]1CC[S@@](=O)C1 ZINC000831473585 603933737 /nfs/dbraw/zinc/93/37/37/603933737.db2.gz DIOSGPYUAUNFMD-QDDONVENSA-N -1 0 304.368 -0.217 20 0 DBADRM C[C@]1(C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CCN(C(=O)[O-])C1 ZINC000825650945 603939029 /nfs/dbraw/zinc/93/90/29/603939029.db2.gz SOYCYRRDLNQCLS-KCJUWKMLSA-N -1 0 305.356 -0.734 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)C(=O)OC ZINC000828646295 603942242 /nfs/dbraw/zinc/94/22/42/603942242.db2.gz HHYAFIFXKRYVHD-CIUDSAMLSA-N -1 0 316.310 -0.356 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)[C@]1(F)CCN(C(=O)[O-])C1)CC2 ZINC000831050268 603942613 /nfs/dbraw/zinc/94/26/13/603942613.db2.gz ITXHHGJLKTVSCU-AWEZNQCLSA-N -1 0 324.312 -0.243 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)n[nH]1 ZINC000828700314 603946143 /nfs/dbraw/zinc/94/61/43/603946143.db2.gz STMWBMGALSOMKK-LBPRGKRZSA-N -1 0 311.298 -0.151 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@]2(C)CCN(C(=O)[O-])C2)CCO1 ZINC000823579010 603946767 /nfs/dbraw/zinc/94/67/67/603946767.db2.gz CYZVNSBMTRDDTE-BXUZGUMPSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@]1(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCN(C(=O)[O-])C1 ZINC000825650017 603947197 /nfs/dbraw/zinc/94/71/97/603947197.db2.gz BJJTYIZMELXDLE-BXKDBHETSA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@@]1(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)CCN(C(=O)[O-])C1 ZINC000825651434 603949128 /nfs/dbraw/zinc/94/91/28/603949128.db2.gz YHEHDWZDUIOZCW-CHWSQXEVSA-N -1 0 310.310 -0.813 20 0 DBADRM Cn1cc(C(=O)N2CCN(C(=O)[O-])CC2(C)C)c(=O)n(C)c1=O ZINC000830989976 603949202 /nfs/dbraw/zinc/94/92/02/603949202.db2.gz WACNNSGMCUDJMP-UHFFFAOYSA-N -1 0 324.337 -0.702 20 0 DBADRM COCCN(CC(=O)NCc1cc(=O)c(O)cn1C)C(=O)[O-] ZINC000828976874 603949342 /nfs/dbraw/zinc/94/93/42/603949342.db2.gz WNWOGVCUNOAPSM-UHFFFAOYSA-N -1 0 313.310 -0.667 20 0 DBADRM COC(=O)C[C@@H](C)N1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000828646151 603952119 /nfs/dbraw/zinc/95/21/19/603952119.db2.gz FTSJRXOHMWCNGO-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3cocn3)n2)CC1 ZINC000831815206 603955112 /nfs/dbraw/zinc/95/51/12/603955112.db2.gz CUCNTBMSJCMWOL-UHFFFAOYSA-N -1 0 307.270 -0.155 20 0 DBADRM CCOCCC(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000827394441 603955754 /nfs/dbraw/zinc/95/57/54/603955754.db2.gz SXYSMDMTJRAASR-UHFFFAOYSA-N -1 0 312.330 -0.030 20 0 DBADRM COC[C@H](C)C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000828896039 603957428 /nfs/dbraw/zinc/95/74/28/603957428.db2.gz GANUUBRHGQWQGV-QMMMGPOBSA-N -1 0 312.330 -0.174 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827312797 603959707 /nfs/dbraw/zinc/95/97/07/603959707.db2.gz JNVVOCNQZCRTGX-DTWKUNHWSA-N -1 0 315.326 -0.700 20 0 DBADRM C[C@@H](CO[C@@H]1CCOC1)NC(=O)COC1CN(C(=O)[O-])C1 ZINC000825000830 603960528 /nfs/dbraw/zinc/96/05/28/603960528.db2.gz BVJUTOGTUAEBQG-VHSXEESVSA-N -1 0 302.327 -0.325 20 0 DBADRM C[C@@H](OC(=O)C[C@H](C)NC(=O)[O-])C(=O)NC(=O)NC1CC1 ZINC000824721004 603960807 /nfs/dbraw/zinc/96/08/07/603960807.db2.gz QSPIMLRXPHCWSC-NKWVEPMBSA-N -1 0 301.299 -0.048 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000825002083 603960945 /nfs/dbraw/zinc/96/09/45/603960945.db2.gz SGNHRIOWXVCCLU-GMTAPVOTSA-N -1 0 302.327 -0.325 20 0 DBADRM O=C([O-])NCC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000832396903 603963208 /nfs/dbraw/zinc/96/32/08/603963208.db2.gz IEFHETSGUZAQPO-UHFFFAOYSA-N -1 0 305.356 -0.673 20 0 DBADRM CCCC[C@H](CNC(=O)[O-])NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000826787366 603964340 /nfs/dbraw/zinc/96/43/40/603964340.db2.gz GHICJHLFXYSRQA-SECBINFHSA-N -1 0 312.326 -0.109 20 0 DBADRM COCCN(CC(=O)N1CCC[C@@H](CC(N)=O)C1)C(=O)[O-] ZINC000828971368 603976006 /nfs/dbraw/zinc/97/60/06/603976006.db2.gz XDMLZZYIQRPSKV-JTQLQIEISA-N -1 0 301.343 -0.273 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000831858583 603976189 /nfs/dbraw/zinc/97/61/89/603976189.db2.gz NOCFBFOMHGJDBY-UHFFFAOYSA-N -1 0 321.337 -0.496 20 0 DBADRM C[C@@H](CC(=O)OCC(=O)NCC(=O)N1CCCC1)NC(=O)[O-] ZINC000824728991 603979421 /nfs/dbraw/zinc/97/94/21/603979421.db2.gz OWXLYVPYDZLYQG-VIFPVBQESA-N -1 0 315.326 -0.686 20 0 DBADRM NC(=O)NC[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000831208733 603979360 /nfs/dbraw/zinc/97/93/60/603979360.db2.gz UUPHYTLJTZVEFN-NOZJJQNGSA-N -1 0 316.333 -0.015 20 0 DBADRM NC(=O)NC[C@H]1CCCN(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000831208093 603979446 /nfs/dbraw/zinc/97/94/46/603979446.db2.gz KGRKAGYHHNNAMJ-SECBINFHSA-N -1 0 314.342 -0.728 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCc1nnc2n1CCCC2 ZINC000831538251 603980601 /nfs/dbraw/zinc/98/06/01/603980601.db2.gz YHWYLGGBKVNUPP-UHFFFAOYSA-N -1 0 309.326 -0.391 20 0 DBADRM C[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)c1nnc2n1CCC2 ZINC000825126590 603984745 /nfs/dbraw/zinc/98/47/45/603984745.db2.gz GPBVEHRYNYSYQR-MRVPVSSYSA-N -1 0 309.326 -0.220 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000826752596 603988200 /nfs/dbraw/zinc/98/82/00/603988200.db2.gz XRJZOHJLGDMNKV-SECBINFHSA-N -1 0 322.383 -0.521 20 0 DBADRM CC(C)(NC(=O)[O-])c1noc(CN2CCO[C@H](CO)C2)n1 ZINC000824030431 603988298 /nfs/dbraw/zinc/98/82/98/603988298.db2.gz XRXNXBIGRVMEDI-QMMMGPOBSA-N -1 0 300.315 -0.235 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)CN(CC1CC1)C(=O)[O-] ZINC000828552607 603989615 /nfs/dbraw/zinc/98/96/15/603989615.db2.gz VBVQJUHIDPBAPS-ZETCQYMHSA-N -1 0 301.299 -0.236 20 0 DBADRM CCN(C(=O)[C@]1(F)CCN(C(=O)[O-])C1)[C@H]1CC(=O)NC1=O ZINC000826969663 603990779 /nfs/dbraw/zinc/99/07/79/603990779.db2.gz IBBKXZNOUVHULX-MADCSZMMSA-N -1 0 301.274 -0.658 20 0 DBADRM CC(=O)NC1CCC(NC(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000823574777 603995124 /nfs/dbraw/zinc/99/51/24/603995124.db2.gz JKBKDXIGXCUDFI-UHFFFAOYSA-N -1 0 313.354 -0.071 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@H]3CCN(C(=O)[O-])C3)CC2=O)cn1 ZINC000831008945 603997186 /nfs/dbraw/zinc/99/71/86/603997186.db2.gz GMHPDRWUNVWSFW-JTQLQIEISA-N -1 0 321.337 -0.405 20 0 DBADRM O=C([O-])N(CCCNC(=O)N1CCS(=O)(=O)CC1)C1CC1 ZINC000831672056 603999308 /nfs/dbraw/zinc/99/93/08/603999308.db2.gz RTYJDFCEHUEIEB-UHFFFAOYSA-N -1 0 319.383 -0.041 20 0 DBADRM CC[C@@H](O)CN1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000826626928 604000522 /nfs/dbraw/zinc/00/05/22/604000522.db2.gz YXTCLUUAWJEZHU-LLVKDONJSA-N -1 0 315.370 -0.720 20 0 DBADRM COC[C@](C)(O)CNC(=O)C1(OC)CCN(C(=O)[O-])CC1 ZINC000828895989 604003707 /nfs/dbraw/zinc/00/37/07/604003707.db2.gz FLEAILRTVNKQNK-GFCCVEGCSA-N -1 0 304.343 -0.341 20 0 DBADRM NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)COC1CN(C(=O)[O-])C1 ZINC000831173750 604007083 /nfs/dbraw/zinc/00/70/83/604007083.db2.gz NZMDYBWZPYXUFP-QWRGUYRKSA-N -1 0 313.354 -0.084 20 0 DBADRM CCc1nc2n(n1)C[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)CC2 ZINC000827642585 604009641 /nfs/dbraw/zinc/00/96/41/604009641.db2.gz JWEXAYMEIOZGEI-VIFPVBQESA-N -1 0 323.353 -0.350 20 0 DBADRM Cn1ncc2c1nnn(CN1CCC[C@H](CNC(=O)[O-])C1)c2=O ZINC000831055537 604015644 /nfs/dbraw/zinc/01/56/44/604015644.db2.gz XXXSORGMTAHEQB-SECBINFHSA-N -1 0 321.341 -0.538 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1Cn1nnc2c(cnn2C)c1=O ZINC000826026145 604016369 /nfs/dbraw/zinc/01/63/69/604016369.db2.gz IRXQCNULCOFYAS-QMMMGPOBSA-N -1 0 307.314 -0.833 20 0 DBADRM C[C@H]1CN(Cn2nnc3c(cnn3C)c2=O)CC[C@H]1NC(=O)[O-] ZINC000826068592 604016802 /nfs/dbraw/zinc/01/68/02/604016802.db2.gz PZRCKXFNCXKAMB-WCBMZHEXSA-N -1 0 321.341 -0.540 20 0 DBADRM Cn1ncc2c1nnn(CN1CC[C@@H](CNC(=O)[O-])C1)c2=O ZINC000831054795 604017261 /nfs/dbraw/zinc/01/72/61/604017261.db2.gz KFBUSZFJGVROEP-QMMMGPOBSA-N -1 0 307.314 -0.928 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000828542981 604025578 /nfs/dbraw/zinc/02/55/78/604025578.db2.gz PWHDVZICQIINBW-UHFFFAOYSA-N -1 0 320.305 -0.472 20 0 DBADRM O=C([O-])NCc1nnnn1CC(=O)NCc1ccccc1F ZINC000832739500 604030562 /nfs/dbraw/zinc/03/05/62/604030562.db2.gz WVAOKTYFDDYRBE-UHFFFAOYSA-N -1 0 308.273 -0.104 20 0 DBADRM COC(=O)C[C@H](C)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000828645957 604034247 /nfs/dbraw/zinc/03/42/47/604034247.db2.gz DBYKVRMRXXJGHI-VIFPVBQESA-N -1 0 315.326 -0.876 20 0 DBADRM O=C([O-])N[C@H]1CC[C@H](C(=O)OCCCN2C(=O)CNC2=O)C1 ZINC000832306217 604051035 /nfs/dbraw/zinc/05/10/35/604051035.db2.gz MPOGEKCGLDPOSB-IUCAKERBSA-N -1 0 313.310 -0.092 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827250922 604051527 /nfs/dbraw/zinc/05/15/27/604051527.db2.gz VSAZPKYATOETJK-SFYZADRCSA-N -1 0 301.299 -0.188 20 0 DBADRM C[C@H](OC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)C(=O)N1CCNC1=O ZINC000825551722 604055338 /nfs/dbraw/zinc/05/53/38/604055338.db2.gz JWJSANFXDCBPIB-XHNCKOQMSA-N -1 0 313.310 -0.094 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828684239 604056180 /nfs/dbraw/zinc/05/61/80/604056180.db2.gz ROPMQMXSWIYSPX-XHNCKOQMSA-N -1 0 316.310 -0.356 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828552462 604056329 /nfs/dbraw/zinc/05/63/29/604056329.db2.gz RSRWXQVMXATUPX-RNJXMRFFSA-N -1 0 301.299 -0.190 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000824755695 604057273 /nfs/dbraw/zinc/05/72/73/604057273.db2.gz YYNSRXBKVVPFPC-SECBINFHSA-N -1 0 300.359 -0.559 20 0 DBADRM COCCCOC1CN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000828950557 604057508 /nfs/dbraw/zinc/05/75/08/604057508.db2.gz MDIYNCYDEBLUPJ-GXSJLCMTSA-N -1 0 302.327 -0.637 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OC[C@H]1CCCN1C(=O)[O-] ZINC000825514175 604065579 /nfs/dbraw/zinc/06/55/79/604065579.db2.gz DYZGFEZJICPITP-JMJZKYOTSA-N -1 0 314.338 -0.052 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CCC[C@H]1CNC(=O)[O-] ZINC000826922349 604076002 /nfs/dbraw/zinc/07/60/02/604076002.db2.gz XFJBBIWWWJGKEW-NSHDSACASA-N -1 0 314.386 -0.297 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1CC(=O)NCC(=O)N1CCCC1 ZINC000832568532 604079308 /nfs/dbraw/zinc/07/93/08/604079308.db2.gz VSNIBCVHDLSIGE-NSHDSACASA-N -1 0 312.370 -0.543 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000831200066 604079536 /nfs/dbraw/zinc/07/95/36/604079536.db2.gz RKROMSONBOEMGS-JTQLQIEISA-N -1 0 308.294 -0.304 20 0 DBADRM CCN(CC(=O)N1CCN(c2nc(N)ns2)CC1)C(=O)[O-] ZINC000826996661 604080308 /nfs/dbraw/zinc/08/03/08/604080308.db2.gz GUXZDEXOFULKBR-UHFFFAOYSA-N -1 0 314.371 -0.231 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CCC[C@@H]1CNC(=O)[O-] ZINC000828904491 604081830 /nfs/dbraw/zinc/08/18/30/604081830.db2.gz UWNPIVHKCQSVPW-NXEZZACHSA-N -1 0 316.358 -0.421 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NCCC(=O)N1CCOCC1 ZINC000824854686 604082622 /nfs/dbraw/zinc/08/26/22/604082622.db2.gz LKYOAXABVRPMPS-JTQLQIEISA-N -1 0 301.343 -0.403 20 0 DBADRM O=C([O-])NC1(CC(=O)NCCC(=O)N2CCOCC2)CCC1 ZINC000832203844 604083542 /nfs/dbraw/zinc/08/35/42/604083542.db2.gz UGHNDCPWBNCOSP-UHFFFAOYSA-N -1 0 313.354 -0.068 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)C[C@@H](C)NC(=O)[O-])n1 ZINC000828547501 604083802 /nfs/dbraw/zinc/08/38/02/604083802.db2.gz RPIYSFCIOJJWET-ZCFIWIBFSA-N -1 0 300.271 -0.553 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])CC1 ZINC000828540754 604090465 /nfs/dbraw/zinc/09/04/65/604090465.db2.gz ALFGGTQQKHQBMA-GHMZBOCLSA-N -1 0 312.370 -0.687 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)COC(=O)CC1CN(C(=O)[O-])C1 ZINC000828410653 604093686 /nfs/dbraw/zinc/09/36/86/604093686.db2.gz JAKJPDNPNNITGL-UHFFFAOYSA-N -1 0 324.337 -0.078 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)OC(=O)CC1CN(C(=O)[O-])C1 ZINC000827250138 604097637 /nfs/dbraw/zinc/09/76/37/604097637.db2.gz PSYJPTIMRLFBAN-ZETCQYMHSA-N -1 0 301.299 -0.236 20 0 DBADRM C[C@@]1(C(=O)OCC(=O)N2CCOCC2)CCN(C(=O)[O-])C1 ZINC000825684113 604102443 /nfs/dbraw/zinc/10/24/43/604102443.db2.gz BODJGIFMDLTTMB-CYBMUJFWSA-N -1 0 300.311 -0.222 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000825015188 604109365 /nfs/dbraw/zinc/10/93/65/604109365.db2.gz DBMUBEBTASBVHV-SNVBAGLBSA-N -1 0 321.399 -0.921 20 0 DBADRM CCN(CCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-] ZINC000827134687 604111864 /nfs/dbraw/zinc/11/18/64/604111864.db2.gz IPYGJNWCNGMALQ-SECBINFHSA-N -1 0 309.326 -0.121 20 0 DBADRM CCN(CCNC(=O)N1CCc2nn(C)c(=O)cc2C1)C(=O)[O-] ZINC000827141292 604114938 /nfs/dbraw/zinc/11/49/38/604114938.db2.gz JQAAWPOSWCTSHW-UHFFFAOYSA-N -1 0 323.353 -0.152 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C1CC1 ZINC000832420372 604115369 /nfs/dbraw/zinc/11/53/69/604115369.db2.gz CIDMJEVMFSPRGG-KOLCDFICSA-N -1 0 321.337 -0.075 20 0 DBADRM CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000828551863 604116218 /nfs/dbraw/zinc/11/62/18/604116218.db2.gz JSXOHVLINVHELH-KRTXAFLBSA-N -1 0 301.299 -0.236 20 0 DBADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)N(C)CC(N)=O)cc1 ZINC000825402027 604119405 /nfs/dbraw/zinc/11/94/05/604119405.db2.gz HEXCQAMFBLUSGD-QMMMGPOBSA-N -1 0 322.321 -0.103 20 0 DBADRM CC(C)(CNC(=O)N[C@@H]1CCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000823931163 604136741 /nfs/dbraw/zinc/13/67/41/604136741.db2.gz YKKCPUITNHGVGH-MRVPVSSYSA-N -1 0 307.372 -0.139 20 0 DBADRM CC(C)(CNC(=O)N[C@H]1CCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000823931165 604137041 /nfs/dbraw/zinc/13/70/41/604137041.db2.gz YKKCPUITNHGVGH-QMMMGPOBSA-N -1 0 307.372 -0.139 20 0 DBADRM O=C([O-])N1CCN(C(=O)NCCc2nnc3n2CCC3)CC1 ZINC000832024976 604142416 /nfs/dbraw/zinc/14/24/16/604142416.db2.gz SGBWJMIMZCEAEO-UHFFFAOYSA-N -1 0 308.342 -0.228 20 0 DBADRM C[C@H](CCNC(=O)C(=O)Nc1cccn(C)c1=O)NC(=O)[O-] ZINC000824779105 604143463 /nfs/dbraw/zinc/14/34/63/604143463.db2.gz XOFOZUAQHXEZKN-MRVPVSSYSA-N -1 0 310.310 -0.514 20 0 DBADRM C[C@H](CC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)NC(=O)[O-] ZINC000824573374 604149019 /nfs/dbraw/zinc/14/90/19/604149019.db2.gz UQCNOKWILSAODY-MRVPVSSYSA-N -1 0 312.326 -0.425 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C(=O)Nc2cccn(C)c2=O)C1 ZINC000827829493 604149691 /nfs/dbraw/zinc/14/96/91/604149691.db2.gz KPBSISPYKINBAW-SECBINFHSA-N -1 0 322.321 -0.466 20 0 DBADRM O=C([O-])NCCC(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC000832599502 604150453 /nfs/dbraw/zinc/15/04/53/604150453.db2.gz QLAACRIPIFGBLF-UHFFFAOYSA-N -1 0 309.322 -0.066 20 0 DBADRM COC[C@@H](C)CC(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000828898421 604174956 /nfs/dbraw/zinc/17/49/56/604174956.db2.gz YZQKLPHLNORWKO-NSHDSACASA-N -1 0 315.370 -0.060 20 0 DBADRM COC[C@H](C)CC(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000828898420 604175052 /nfs/dbraw/zinc/17/50/52/604175052.db2.gz YZQKLPHLNORWKO-LLVKDONJSA-N -1 0 315.370 -0.060 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)[C@@]1(C)CCCO1 ZINC000828090100 604175255 /nfs/dbraw/zinc/17/52/55/604175255.db2.gz KBJGQDDITKRYGQ-CQSZACIVSA-N -1 0 313.354 -0.164 20 0 DBADRM O=C(C[C@@H]1CCCCO1)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000831314446 604175959 /nfs/dbraw/zinc/17/59/59/604175959.db2.gz UKYSAYJKKCBHOM-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000824834508 604177363 /nfs/dbraw/zinc/17/73/63/604177363.db2.gz YNLMWKVFOMMIEV-IUCAKERBSA-N -1 0 307.372 -0.618 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)CC2(NC(=O)[O-])CCC2)C1 ZINC000831241033 604183149 /nfs/dbraw/zinc/18/31/49/604183149.db2.gz ROMRYYYCWGOXGH-SECBINFHSA-N -1 0 319.383 -0.154 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC000825209173 604194666 /nfs/dbraw/zinc/19/46/66/604194666.db2.gz BGGOZJDMMRGFOG-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H](COC(=O)Cn1cnc2c(cnn2C)c1=O)NC(=O)[O-] ZINC000824993540 604205599 /nfs/dbraw/zinc/20/55/99/604205599.db2.gz AYWGOWSDQITEMN-ZETCQYMHSA-N -1 0 309.282 -0.671 20 0 DBADRM COCCN(CC(=O)N[C@H]1CCCC[C@H]1C(N)=O)C(=O)[O-] ZINC000828976207 604207113 /nfs/dbraw/zinc/20/71/13/604207113.db2.gz KEZDXRNPPKEEIO-ZJUUUORDSA-N -1 0 301.343 -0.227 20 0 DBADRM CN(C)c1nc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cs1 ZINC000828077642 604209032 /nfs/dbraw/zinc/20/90/32/604209032.db2.gz QXDRYNYJDRWYLH-BDAKNGLRSA-N -1 0 314.367 -0.062 20 0 DBADRM CN(C)c1nc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cs1 ZINC000828077646 604209091 /nfs/dbraw/zinc/20/90/91/604209091.db2.gz QXDRYNYJDRWYLH-IUCAKERBSA-N -1 0 314.367 -0.062 20 0 DBADRM C[C@@]1([C@H]2CCCN(C(=O)CCNC(=O)[O-])C2)NC(=O)NC1=O ZINC000825740279 604212885 /nfs/dbraw/zinc/21/28/85/604212885.db2.gz VGAGNQXIHKSOBW-SDBXPKJASA-N -1 0 312.326 -0.519 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000829792791 604213519 /nfs/dbraw/zinc/21/35/19/604213519.db2.gz RRHOOGMWACXDLN-UJVNDKKSSA-N -1 0 312.326 -0.521 20 0 DBADRM Cn1cc(/C=C/C(=O)OC2(C)CN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000830999545 604218115 /nfs/dbraw/zinc/21/81/15/604218115.db2.gz JDVJZGHZFXBSGU-SNAWJCMRSA-N -1 0 323.305 -0.607 20 0 DBADRM CC1(OC(=O)CCC(=O)N2CCOCC2)CN(C(=O)[O-])C1 ZINC000825760665 604218733 /nfs/dbraw/zinc/21/87/33/604218733.db2.gz PWXGOUAXPHHWPG-UHFFFAOYSA-N -1 0 300.311 -0.079 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000824839454 604222824 /nfs/dbraw/zinc/22/28/24/604222824.db2.gz BVTLDBKLEDGIBG-FIKIJFGZSA-N -1 0 319.427 -0.245 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)O[C@H]1CCN(C2CCOCC2)C1=O ZINC000825185784 604225555 /nfs/dbraw/zinc/22/55/55/604225555.db2.gz IOQFZRYPXBROCP-SCZZXKLOSA-N -1 0 300.311 -0.034 20 0 DBADRM O=C([O-])NC1(CC(=O)OCC(=O)N2CCOCC2)CCC1 ZINC000832216041 604232986 /nfs/dbraw/zinc/23/29/86/604232986.db2.gz MMUCADPRILPYIK-UHFFFAOYSA-N -1 0 300.311 -0.031 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)NCCCN2CCN(C(=O)[O-])CC2)c1 ZINC000831215187 604246517 /nfs/dbraw/zinc/24/65/17/604246517.db2.gz IJKRGANDBXPERA-UHFFFAOYSA-N -1 0 323.353 -0.471 20 0 DBADRM CC(C)[C@H](OC(=O)[C@H](C)CN(C)C(=O)[O-])C(=O)NC(N)=O ZINC000824880916 604248202 /nfs/dbraw/zinc/24/82/02/604248202.db2.gz PQXFVVHIJAMADV-SFYZADRCSA-N -1 0 303.315 -0.005 20 0 DBADRM CC(C)[C@H](OC(=O)[C@@H](C)CN(C)C(=O)[O-])C(=O)NC(N)=O ZINC000824880917 604248425 /nfs/dbraw/zinc/24/84/25/604248425.db2.gz PQXFVVHIJAMADV-YUMQZZPRSA-N -1 0 303.315 -0.005 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)OCc1cc(=O)n(C)c(=O)n1C ZINC000824895776 604249366 /nfs/dbraw/zinc/24/93/66/604249366.db2.gz FEFQIULOPRHKDY-MRVPVSSYSA-N -1 0 313.310 -0.627 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000825016463 604249968 /nfs/dbraw/zinc/24/99/68/604249968.db2.gz QOQIXDSXOUJGBU-CBAPKCEASA-N -1 0 307.324 -0.468 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000825217271 604259709 /nfs/dbraw/zinc/25/97/09/604259709.db2.gz DKCNVWLRNNZZIW-NXEZZACHSA-N -1 0 324.337 -0.156 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000825254723 604261002 /nfs/dbraw/zinc/26/10/02/604261002.db2.gz OHESIZIAADCKQW-RKDXNWHRSA-N -1 0 324.341 -0.728 20 0 DBADRM COC(=O)[C@]1(F)CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828617928 604264834 /nfs/dbraw/zinc/26/48/34/604264834.db2.gz JQSMKVMBKXDNTF-PELKAZGASA-N -1 0 304.274 -0.521 20 0 DBADRM CN(CCCNC(=O)NC[C@H]1CCCS1(=O)=O)C(=O)[O-] ZINC000828293194 604272756 /nfs/dbraw/zinc/27/27/56/604272756.db2.gz KJJKDKUMCCQBRJ-SECBINFHSA-N -1 0 307.372 -0.137 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000831373783 604273303 /nfs/dbraw/zinc/27/33/03/604273303.db2.gz CIRWMWLICLDOJR-GXSJLCMTSA-N -1 0 311.338 -0.365 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCN2C(=O)CNC2=O)cc1F ZINC000833138718 604273404 /nfs/dbraw/zinc/27/34/04/604273404.db2.gz NRPMGTJVQDPMPY-UHFFFAOYSA-N -1 0 309.253 -0.195 20 0 DBADRM C[C@@]1([C@H]2CCCN(c3ccc(C(=O)[O-])nn3)C2)NC(=O)NC1=O ZINC000828087642 604274878 /nfs/dbraw/zinc/27/48/78/604274878.db2.gz CZORVOAPDYBXFT-RTHLEPHNSA-N -1 0 319.321 -0.011 20 0 DBADRM COC[C@](C)(CC(=O)OC)NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828886374 604275075 /nfs/dbraw/zinc/27/50/75/604275075.db2.gz UYEHTYVQNMZDHC-RNCFNFMXSA-N -1 0 318.326 -0.550 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)NCC2CCN(C(=O)[O-])CC2)nn1 ZINC000825528781 604278666 /nfs/dbraw/zinc/27/86/66/604278666.db2.gz SRCZKGSOCHHLNX-SECBINFHSA-N -1 0 311.342 -0.162 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCN(C(=O)[O-])CC2(C)C)nn1 ZINC000825527604 604279948 /nfs/dbraw/zinc/27/99/48/604279948.db2.gz FIOBWDAPVGOPPK-SECBINFHSA-N -1 0 311.342 -0.068 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CCO2)cn1 ZINC000830999736 604280156 /nfs/dbraw/zinc/28/01/56/604280156.db2.gz MUGQNVVIQZPRQD-NWDGAFQWSA-N -1 0 324.337 -0.301 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CCO2)cn1 ZINC000830999737 604280358 /nfs/dbraw/zinc/28/03/58/604280358.db2.gz MUGQNVVIQZPRQD-RYUDHWBXSA-N -1 0 324.337 -0.301 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC(c3nnc[nH]3)CC2)C1 ZINC000832051008 604280406 /nfs/dbraw/zinc/28/04/06/604280406.db2.gz SNXLRMPDIIQSPQ-JTQLQIEISA-N -1 0 309.326 -0.111 20 0 DBADRM Cn1cc(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cc1C(N)=O ZINC000831014048 604285715 /nfs/dbraw/zinc/28/57/15/604285715.db2.gz KQWHXAHYWOJLPS-SECBINFHSA-N -1 0 310.310 -0.169 20 0 DBADRM COC[C@@](C)(NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C(=O)OC ZINC000828885652 604286731 /nfs/dbraw/zinc/28/67/31/604286731.db2.gz KWTJWWAAEMBSDI-TVQRCGJNSA-N -1 0 318.326 -0.550 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(CN2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000739614956 604293381 /nfs/dbraw/zinc/29/33/81/604293381.db2.gz QIJSHBKLUAMGBG-SECBINFHSA-N -1 0 317.371 -0.567 20 0 DBADRM O=C([O-])N[C@@H]1CCN(CN2C(=O)NC3(CCOCC3)C2=O)C1 ZINC000740595718 604293670 /nfs/dbraw/zinc/29/36/70/604293670.db2.gz HVPVCBRWQZKSPM-SECBINFHSA-N -1 0 312.326 -0.613 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828617917 604299932 /nfs/dbraw/zinc/29/99/32/604299932.db2.gz JIMMSMIURGTJAU-ZANVPECISA-N -1 0 300.311 -0.223 20 0 DBADRM COCCN(CC(=O)N1CCN([C@@H]2CCOC2)CC1)C(=O)[O-] ZINC000828970792 604301106 /nfs/dbraw/zinc/30/11/06/604301106.db2.gz GODTXJUDSOKWLD-GFCCVEGCSA-N -1 0 315.370 -0.454 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000827851796 604303139 /nfs/dbraw/zinc/30/31/39/604303139.db2.gz MLUSPQAGRZWZHQ-NXEZZACHSA-N -1 0 319.383 -0.043 20 0 DBADRM CC[C@@H](NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-] ZINC000262053245 604305554 /nfs/dbraw/zinc/30/55/54/604305554.db2.gz FVQVWAZZBPXHFD-PSASIEDQSA-N -1 0 307.368 -0.052 20 0 DBADRM COc1cc2c(nn1)CCN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)C2 ZINC000829224381 604308604 /nfs/dbraw/zinc/30/86/04/604308604.db2.gz IKTMORLFQVYMDF-LLVKDONJSA-N -1 0 322.321 -0.251 20 0 DBADRM C[C@H]1CC[C@H](C(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)O1 ZINC000825865071 604314243 /nfs/dbraw/zinc/31/42/43/604314243.db2.gz DSQRECPTMKTHJH-WDEREUQCSA-N -1 0 313.354 -0.166 20 0 DBADRM CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000827334115 604323892 /nfs/dbraw/zinc/32/38/92/604323892.db2.gz OUSIRQWMYOMYNO-AXFHLTTASA-N -1 0 314.338 -0.099 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000740337951 604335840 /nfs/dbraw/zinc/33/58/40/604335840.db2.gz XCTDGFSBJCFHFH-SECBINFHSA-N -1 0 313.335 -0.184 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](NC(=O)[O-])C2)c[nH]1 ZINC000828754745 604337702 /nfs/dbraw/zinc/33/77/02/604337702.db2.gz LQUVPLXZHCNECY-SSDOTTSWSA-N -1 0 317.323 -0.168 20 0 DBADRM CNS(=O)(=O)c1ccc(N2CC[C@@H](NC(=O)[O-])C2)nc1 ZINC000739748223 604348283 /nfs/dbraw/zinc/34/82/83/604348283.db2.gz AXRABRSHTSXCTB-MRVPVSSYSA-N -1 0 300.340 -0.164 20 0 DBADRM C[C@H](CCNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)NC(=O)[O-] ZINC000824794439 604350356 /nfs/dbraw/zinc/35/03/56/604350356.db2.gz UPLMCBWVUPRAGY-HRDYMLBCSA-N -1 0 302.331 -0.635 20 0 DBADRM COCc1nn(CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c(=O)o1 ZINC000829055913 604350899 /nfs/dbraw/zinc/35/08/99/604350899.db2.gz QQBUZTSLAJDRKA-DTWKUNHWSA-N -1 0 300.315 -0.082 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)NCCN(C(=O)[O-])C2CC2)O1 ZINC000831173660 604351558 /nfs/dbraw/zinc/35/15/58/604351558.db2.gz NCBITDUVXVENQW-UWVGGRQHSA-N -1 0 314.342 -0.539 20 0 DBADRM O=C([O-])c1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1F ZINC000833358316 604352336 /nfs/dbraw/zinc/35/23/36/604352336.db2.gz QRZOOXOBWUYWCS-JTQLQIEISA-N -1 0 321.308 -0.334 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)NC[C@@H]2CCCN2C(=O)[O-])O1 ZINC000831171786 604352773 /nfs/dbraw/zinc/35/27/73/604352773.db2.gz FXHUDKVTLCTJCH-AEJSXWLSSA-N -1 0 314.342 -0.539 20 0 DBADRM CCN(CCCNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1)C(=O)[O-] ZINC000827125204 604353850 /nfs/dbraw/zinc/35/38/50/604353850.db2.gz XJWQZGDGNUQRON-NXEZZACHSA-N -1 0 316.358 -0.292 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000826027177 604354384 /nfs/dbraw/zinc/35/43/84/604354384.db2.gz RLQJZJQFBZIFBS-KXUCPTDWSA-N -1 0 314.342 -0.587 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCN(C(=O)[O-])CC2)O1 ZINC000831174164 604356375 /nfs/dbraw/zinc/35/63/75/604356375.db2.gz RAUQDMZPQGRYJY-IUCAKERBSA-N -1 0 300.315 -0.976 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000800026954 604357339 /nfs/dbraw/zinc/35/73/39/604357339.db2.gz OYPIQOGHJPDDMO-VIFPVBQESA-N -1 0 309.731 -0.405 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000738525474 604368539 /nfs/dbraw/zinc/36/85/39/604368539.db2.gz VRHXDIMFCLYFCT-CMPLNLGQSA-N -1 0 312.370 -0.593 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)O1 ZINC000831172688 604377896 /nfs/dbraw/zinc/37/78/96/604377896.db2.gz JKLKQGXHCHDSJK-MMWGEVLESA-N -1 0 313.354 -0.038 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@H]2CSCN2C(=O)[O-])O1 ZINC000831172993 604394304 /nfs/dbraw/zinc/39/43/04/604394304.db2.gz KQLGQIGKXBFUHZ-PRJMDXOYSA-N -1 0 303.340 -0.812 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000828619227 604395507 /nfs/dbraw/zinc/39/55/07/604395507.db2.gz SZVNHLKENBGBGG-NOZJJQNGSA-N -1 0 300.311 -0.223 20 0 DBADRM CN1CCN(C(=O)CCN2CCOCC2)[C@@H](CNC(=O)[O-])C1 ZINC000828496818 604396223 /nfs/dbraw/zinc/39/62/23/604396223.db2.gz ZXODWXBZTSQLPI-LBPRGKRZSA-N -1 0 314.386 -0.881 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CSC(=O)N2)[C@H](CNC(=O)[O-])C1 ZINC000828496493 604396439 /nfs/dbraw/zinc/39/64/39/604396439.db2.gz XKMHJOZZVIGGNE-SFYZADRCSA-N -1 0 302.356 -0.778 20 0 DBADRM CN1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)[C@H](CNC(=O)[O-])C1 ZINC000828488199 604397219 /nfs/dbraw/zinc/39/72/19/604397219.db2.gz LOGGDYNKSGAFOF-CMPLNLGQSA-N -1 0 324.381 -0.593 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000827016977 604400372 /nfs/dbraw/zinc/40/03/72/604400372.db2.gz USSICKDBLLLXDT-QWRGUYRKSA-N -1 0 317.386 -0.611 20 0 DBADRM Cn1cc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])ccc1=O ZINC000828513911 604400572 /nfs/dbraw/zinc/40/05/72/604400572.db2.gz RQLASAZDCJQLBR-NSHDSACASA-N -1 0 308.338 -0.591 20 0 DBADRM Cn1cc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])ccc1=O ZINC000828513909 604401047 /nfs/dbraw/zinc/40/10/47/604401047.db2.gz RQLASAZDCJQLBR-LLVKDONJSA-N -1 0 308.338 -0.591 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C[C@H](O)CN1CCOCC1 ZINC000827017319 604404406 /nfs/dbraw/zinc/40/44/06/604404406.db2.gz XJOOTRIYSCUBDG-STQMWFEESA-N -1 0 304.387 -0.511 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C[C@@H](O)CN1CCOCC1 ZINC000827017311 604404412 /nfs/dbraw/zinc/40/44/12/604404412.db2.gz XJOOTRIYSCUBDG-OLZOCXBDSA-N -1 0 304.387 -0.511 20 0 DBADRM O=C([O-])NCCOc1cccc(NC(=O)C(=O)NCCO)c1 ZINC000832668530 604406811 /nfs/dbraw/zinc/40/68/11/604406811.db2.gz NDSGNPFIBHMDDU-UHFFFAOYSA-N -1 0 311.294 -0.620 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])C1 ZINC000827229099 604407075 /nfs/dbraw/zinc/40/70/75/604407075.db2.gz UKJROKKJSRNDBQ-NEPJUHHUSA-N -1 0 314.386 -0.883 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000828618645 604407249 /nfs/dbraw/zinc/40/72/49/604407249.db2.gz PBMLPSUDVSPYIR-JRKPZEMJSA-N -1 0 300.311 -0.489 20 0 DBADRM COC(=O)[C@H](C)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831058941 604409723 /nfs/dbraw/zinc/40/97/23/604409723.db2.gz CJDKSFIKVVMEHW-SSDOTTSWSA-N -1 0 305.312 -0.945 20 0 DBADRM CCOC(=O)[C@@H](C)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000829822251 604410219 /nfs/dbraw/zinc/41/02/19/604410219.db2.gz CRYXEFFTFKJHBZ-QMMMGPOBSA-N -1 0 319.339 -0.555 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)[C@H](CNC(=O)[O-])C1 ZINC000828493715 604410584 /nfs/dbraw/zinc/41/05/84/604410584.db2.gz CDBBJBXJSNPDPE-GHMZBOCLSA-N -1 0 312.370 -0.735 20 0 DBADRM CN1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)[C@@H](CNC(=O)[O-])C1 ZINC000828493717 604410608 /nfs/dbraw/zinc/41/06/08/604410608.db2.gz CDBBJBXJSNPDPE-QWRGUYRKSA-N -1 0 312.370 -0.735 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N2)cc1 ZINC000314161841 604410822 /nfs/dbraw/zinc/41/08/22/604410822.db2.gz KDDQQUVOPXRFNJ-JTQLQIEISA-N -1 0 305.290 -0.282 20 0 DBADRM CN1CCN(C(=O)CNCC(F)(F)F)[C@@H](CNC(=O)[O-])C1 ZINC000828500919 604412282 /nfs/dbraw/zinc/41/22/82/604412282.db2.gz RBZVFPXWTWODAA-QMMMGPOBSA-N -1 0 312.292 -0.452 20 0 DBADRM COC(=O)C[C@H](C)C(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000828646821 604412312 /nfs/dbraw/zinc/41/23/12/604412312.db2.gz MMXWYYYUAYVXQH-VHSXEESVSA-N -1 0 301.343 -0.404 20 0 DBADRM O=C([O-])N1CC(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000831852199 604413456 /nfs/dbraw/zinc/41/34/56/604413456.db2.gz MKHVARYYRPWOHU-UHFFFAOYSA-N -1 0 324.322 -0.697 20 0 DBADRM COC(=O)N1CC(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000831199128 604413970 /nfs/dbraw/zinc/41/39/70/604413970.db2.gz YMLMGAQZGQAHSD-UHFFFAOYSA-N -1 0 321.355 -0.932 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(=O)n(C)c1 ZINC000832892031 604415172 /nfs/dbraw/zinc/41/51/72/604415172.db2.gz SWTOVLHCELZTBH-OAHLLOKOSA-N -1 0 321.333 -0.045 20 0 DBADRM C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000827747846 604418553 /nfs/dbraw/zinc/41/85/53/604418553.db2.gz VBXXNZMABJHFHG-GZMMTYOYSA-N -1 0 317.367 -0.290 20 0 DBADRM O=C([O-])NC1(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000832151103 604420871 /nfs/dbraw/zinc/42/08/71/604420871.db2.gz FISDJWLZZGJOOI-JTQLQIEISA-N -1 0 311.338 -0.364 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000823687097 604423747 /nfs/dbraw/zinc/42/37/47/604423747.db2.gz VNTZWPIYOUJTAB-SNVBAGLBSA-N -1 0 324.381 -0.402 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000829687945 604424107 /nfs/dbraw/zinc/42/41/07/604424107.db2.gz PBKKFOGODIEKHE-UHFFFAOYSA-N -1 0 305.356 -0.673 20 0 DBADRM CN1CCO[C@H]2CN(Cc3noc(CCCC(=O)[O-])n3)C[C@@H]21 ZINC000830965437 604424362 /nfs/dbraw/zinc/42/43/62/604424362.db2.gz RBSXISXNDPENHY-QWRGUYRKSA-N -1 0 310.354 -0.008 20 0 DBADRM COC(=O)c1cn(CN2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)nn1 ZINC000828803636 604436601 /nfs/dbraw/zinc/43/66/01/604436601.db2.gz DAXDSQJAWTXLTE-WCBMZHEXSA-N -1 0 313.314 -0.621 20 0 DBADRM COCc1nn(CN2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)c(=O)o1 ZINC000829056154 604438421 /nfs/dbraw/zinc/43/84/21/604438421.db2.gz UGMAOPWGXWWTSZ-RKDXNWHRSA-N -1 0 316.314 -0.703 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CCN1C(=O)CCC1=O ZINC000827001536 604439073 /nfs/dbraw/zinc/43/90/73/604439073.db2.gz QEAZFRMMRTVAHU-JTQLQIEISA-N -1 0 314.338 -0.138 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CCNS(C)(=O)=O ZINC000827002576 604444242 /nfs/dbraw/zinc/44/42/42/604444242.db2.gz ZQJJLWSVTKCZPS-VIFPVBQESA-N -1 0 310.372 -0.738 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)Cn1cc([C@H](C)O)nn1 ZINC000827006735 604452213 /nfs/dbraw/zinc/45/22/13/604452213.db2.gz NYJULARQTINAOH-GXSJLCMTSA-N -1 0 314.342 -0.332 20 0 DBADRM C[C@@H]1COCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000399091453 604460728 /nfs/dbraw/zinc/46/07/28/604460728.db2.gz BJLKZLMKFPKTHY-JTQLQIEISA-N -1 0 306.384 -0.004 20 0 DBADRM CCOC(=O)Cn1cccc(NC(=O)CN(C)C(=O)[O-])c1=O ZINC000833659334 604468518 /nfs/dbraw/zinc/46/85/18/604468518.db2.gz VSQAOFYDNMAKDX-UHFFFAOYSA-N -1 0 311.294 -0.040 20 0 DBADRM Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2cccnc2)n1 ZINC000826357498 607694461 /nfs/dbraw/zinc/69/44/61/607694461.db2.gz HTAVYRBFEYILGK-UHFFFAOYSA-N -1 0 306.311 -0.204 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)cs1 ZINC000740338249 604474773 /nfs/dbraw/zinc/47/47/73/604474773.db2.gz MRZIHPPOPQMYAJ-SSDOTTSWSA-N -1 0 319.364 -0.122 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)NC2CN(C(=O)[O-])C2)cn1 ZINC000827966234 604477553 /nfs/dbraw/zinc/47/75/53/604477553.db2.gz IWCBTUGWIMZMIG-UHFFFAOYSA-N -1 0 310.314 -0.545 20 0 DBADRM Cn1ccnc(N2CCN(C(=O)C3(NC(=O)[O-])CC3)CC2)c1=O ZINC000831026932 604479746 /nfs/dbraw/zinc/47/97/46/604479746.db2.gz RGTRLTWGRNQBBC-UHFFFAOYSA-N -1 0 321.337 -0.771 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)N(C)CC2CC2)CCO1 ZINC000825361842 604489151 /nfs/dbraw/zinc/48/91/51/604489151.db2.gz UUCKVAZUHCUEOM-KOLCDFICSA-N -1 0 321.399 -0.070 20 0 DBADRM O=C(CN[C@@]1(C(=O)[O-])CCOC1)NC[C@@H]1Cc2ccccc2O1 ZINC000833765114 604489347 /nfs/dbraw/zinc/48/93/47/604489347.db2.gz XLSQCDOBJQYEST-LRDDRELGSA-N -1 0 320.345 -0.060 20 0 DBADRM CCOCCS(=O)(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827405396 604490186 /nfs/dbraw/zinc/49/01/86/604490186.db2.gz OUTPNYZRDRJHMI-UWVGGRQHSA-N -1 0 310.372 -0.290 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)N(C)C2CC2)CCO1 ZINC000825360730 604490661 /nfs/dbraw/zinc/49/06/61/604490661.db2.gz QDABCBMGJGRQSO-WCBMZHEXSA-N -1 0 307.372 -0.318 20 0 DBADRM C[C@H](OC(=O)CCC(=O)NC1CCCC1)C(=O)NCC(=O)[O-] ZINC000833526953 604492236 /nfs/dbraw/zinc/49/22/36/604492236.db2.gz BGAZIBWCFCKTGU-VIFPVBQESA-N -1 0 314.338 -0.042 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)C[C@H]2CCOC2)CCO1 ZINC000825359094 604492656 /nfs/dbraw/zinc/49/26/56/604492656.db2.gz JJJPCCMBPCKSAJ-GARJFASQSA-N -1 0 322.383 -0.290 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000828509915 604492963 /nfs/dbraw/zinc/49/29/63/604492963.db2.gz VYBFVLZHSLCTAN-RYUDHWBXSA-N -1 0 314.382 -0.028 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)N2CCCC2)CCO1 ZINC000825358292 604493438 /nfs/dbraw/zinc/49/34/38/604493438.db2.gz FNUAWYUXAOFBGB-NXEZZACHSA-N -1 0 307.372 -0.316 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000829978966 604497464 /nfs/dbraw/zinc/49/74/64/604497464.db2.gz UPTMMFFLTMNPTH-DTWKUNHWSA-N -1 0 311.356 -0.453 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000829984270 604498183 /nfs/dbraw/zinc/49/81/83/604498183.db2.gz JJDWADBNUWNQKH-IUCAKERBSA-N -1 0 311.356 -0.453 20 0 DBADRM CS(=O)(=O)c1csc(C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000833736911 604502500 /nfs/dbraw/zinc/50/25/00/604502500.db2.gz FZMICFVDUYXCTB-UHFFFAOYSA-N -1 0 321.332 -0.491 20 0 DBADRM CC[C@]1(C)CC(=O)N(CN(CC(=O)[O-])CC(=O)OC)C1=O ZINC000833646828 604507888 /nfs/dbraw/zinc/50/78/88/604507888.db2.gz SXTSAZOEZVTEQO-CYBMUJFWSA-N -1 0 300.311 -0.321 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000826980750 604509997 /nfs/dbraw/zinc/50/99/97/604509997.db2.gz WTARMRBZXUBPKQ-SNVBAGLBSA-N -1 0 321.399 -0.037 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000390323096 604510285 /nfs/dbraw/zinc/51/02/85/604510285.db2.gz ISMPZBPGCHNXKF-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@]2(O)CCOC2)ccc1F ZINC000227115343 604510778 /nfs/dbraw/zinc/51/07/78/604510778.db2.gz LXTMFAZCIFRWLO-GFCCVEGCSA-N -1 0 319.310 -0.046 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@]2(O)CCOC2)cs1 ZINC000227115170 604511175 /nfs/dbraw/zinc/51/11/75/604511175.db2.gz GIVBIBUMHZEAES-SNVBAGLBSA-N -1 0 307.349 -0.124 20 0 DBADRM COC(=O)C[C@H]1CCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000831143858 604516703 /nfs/dbraw/zinc/51/67/03/604516703.db2.gz HWMFKQPXSHHNJX-SECBINFHSA-N -1 0 308.356 -0.335 20 0 DBADRM C[C@@]1(C2CCN(C(=O)C3(NC(=O)[O-])CC3)CC2)NC(=O)NC1=O ZINC000825740230 604518064 /nfs/dbraw/zinc/51/80/64/604518064.db2.gz UBGRSJVIGCAFHJ-ZDUSSCGKSA-N -1 0 324.337 -0.377 20 0 DBADRM CC(C)[C@@H](O)C(C)(C)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824198403 607824117 /nfs/dbraw/zinc/82/41/17/607824117.db2.gz CAFIXTWPBINUJI-SNVBAGLBSA-N -1 0 322.373 -0.383 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000831283037 604522471 /nfs/dbraw/zinc/52/24/71/604522471.db2.gz JNPNIGZJBUDXIE-HTQZYQBOSA-N -1 0 301.324 -0.298 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)C3(NC(=O)[O-])CC3)CCN2C1=O ZINC000827201803 604528587 /nfs/dbraw/zinc/52/85/87/604528587.db2.gz ZKBDHDFHEVSDSF-QMMMGPOBSA-N -1 0 310.310 -0.719 20 0 DBADRM CCCNC(=O)CNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000826925268 604530763 /nfs/dbraw/zinc/53/07/63/604530763.db2.gz CVRUYHABJDYZQA-VHSXEESVSA-N -1 0 316.358 -0.421 20 0 DBADRM CCCNC(=O)CNC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000826925267 604530881 /nfs/dbraw/zinc/53/08/81/604530881.db2.gz CVRUYHABJDYZQA-UWVGGRQHSA-N -1 0 316.358 -0.421 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)N[C@@H](C)C(=O)N(C)C)CCO1 ZINC000825149249 604538754 /nfs/dbraw/zinc/53/87/54/604538754.db2.gz FINLJHTZLXMRGS-KXUCPTDWSA-N -1 0 316.358 -0.470 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)NCCOCCO)c1 ZINC000833142122 604541591 /nfs/dbraw/zinc/54/15/91/604541591.db2.gz ACMLVYWWOQYMOE-UHFFFAOYSA-N -1 0 302.308 -0.490 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CCCNC(=O)c2cccnc2)CCO1 ZINC000819181648 604543183 /nfs/dbraw/zinc/54/31/83/604543183.db2.gz QASZTTDDRDOYPO-GFCCVEGCSA-N -1 0 321.333 -0.096 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C1(NC(=O)[O-])CC1 ZINC000829683252 604545191 /nfs/dbraw/zinc/54/51/91/604545191.db2.gz PVFRDIKXMPGLFY-RKDXNWHRSA-N -1 0 319.383 -0.379 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCn2cccn2)CCO1 ZINC000825317703 604561213 /nfs/dbraw/zinc/56/12/13/604561213.db2.gz JBRHULDEWMQDDU-WDEREUQCSA-N -1 0 311.342 -0.050 20 0 DBADRM CNC(=O)CCCNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828537414 604562080 /nfs/dbraw/zinc/56/20/80/604562080.db2.gz DTBFCXJOFZKAKP-NXEZZACHSA-N -1 0 316.358 -0.421 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000833208259 604565841 /nfs/dbraw/zinc/56/58/41/604565841.db2.gz XTUZULRTUNTKBW-JTQLQIEISA-N -1 0 304.368 -0.818 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)n(C)n1 ZINC000739539658 604574073 /nfs/dbraw/zinc/57/40/73/604574073.db2.gz RCOPXLAKJIKXGP-SECBINFHSA-N -1 0 309.326 -0.211 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)c1=O ZINC000831022663 604575546 /nfs/dbraw/zinc/57/55/46/604575546.db2.gz MPQYQNJNBBJAOL-MRVPVSSYSA-N -1 0 308.294 -0.808 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)NCCCCC(=O)[O-])CC1 ZINC000820530559 604576094 /nfs/dbraw/zinc/57/60/94/604576094.db2.gz UOUOBSUEDOEADD-UHFFFAOYSA-N -1 0 314.386 -0.343 20 0 DBADRM C[C@@H](CC(=O)NCCS(N)(=O)=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824654442 604577874 /nfs/dbraw/zinc/57/78/74/604577874.db2.gz FXNLDIIKXPCRKQ-UWVGGRQHSA-N -1 0 321.399 -0.193 20 0 DBADRM CC[C@H](O)CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000826625994 604578292 /nfs/dbraw/zinc/57/82/92/604578292.db2.gz NZAKCJNHTQWMNE-JTQLQIEISA-N -1 0 321.399 -0.933 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000828705493 604582425 /nfs/dbraw/zinc/58/24/25/604582425.db2.gz WDRTZXXNZLZSPJ-QMMMGPOBSA-N -1 0 300.315 -0.121 20 0 DBADRM COCCN(CC(=O)N1CCC(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000828971067 604588835 /nfs/dbraw/zinc/58/88/35/604588835.db2.gz NFUFBXQCNVGOHP-UHFFFAOYSA-N -1 0 322.383 -0.352 20 0 DBADRM CN(CC(C)(CO)CO)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833692609 604595016 /nfs/dbraw/zinc/59/50/16/604595016.db2.gz SMNSTERTYINDRW-UHFFFAOYSA-N -1 0 317.363 -0.004 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000738859675 604595607 /nfs/dbraw/zinc/59/56/07/604595607.db2.gz JWIDQOAGZATALD-SECBINFHSA-N -1 0 322.387 -0.634 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](NC(=O)[O-])C1)CC2 ZINC000740230118 604598325 /nfs/dbraw/zinc/59/83/25/604598325.db2.gz BVNJMMZPUOXUMD-NXEZZACHSA-N -1 0 308.342 -0.047 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CC(=O)Nc2nncs2)CCO1 ZINC000825352800 604600558 /nfs/dbraw/zinc/60/05/58/604600558.db2.gz TUMXCQGDDDGGBL-JGVFFNPUSA-N -1 0 315.355 -0.167 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000829686599 604601928 /nfs/dbraw/zinc/60/19/28/604601928.db2.gz CYXKLAHFAOUVDK-QMMMGPOBSA-N -1 0 320.371 -0.928 20 0 DBADRM CCN1CCO[C@H](CNC(=O)N2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000739457305 604602585 /nfs/dbraw/zinc/60/25/85/604602585.db2.gz RKXMKLYJUXZTMA-GHMZBOCLSA-N -1 0 300.359 -0.241 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000829683654 604609396 /nfs/dbraw/zinc/60/93/96/604609396.db2.gz XDQFXLNGOCZYAY-UHFFFAOYSA-N -1 0 320.371 -0.975 20 0 DBADRM CCNC(=O)NC(=O)CN1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827248569 604612243 /nfs/dbraw/zinc/61/22/43/604612243.db2.gz DVSXWGHMBAGZEF-IUCAKERBSA-N -1 0 302.331 -0.811 20 0 DBADRM CCNC(=O)NC(=O)CN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827248568 604612328 /nfs/dbraw/zinc/61/23/28/604612328.db2.gz DVSXWGHMBAGZEF-DTWKUNHWSA-N -1 0 302.331 -0.811 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)NCCc2nnc3n2CCC3)C1 ZINC000832375288 604612430 /nfs/dbraw/zinc/61/24/30/604612430.db2.gz FITJEAYLCRCOJV-SECBINFHSA-N -1 0 308.342 -0.182 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NCCc1cccc(C(=O)[O-])c1)C(N)=O ZINC000833398051 604614515 /nfs/dbraw/zinc/61/45/15/604614515.db2.gz XZYQWLARFPBYFC-LBPRGKRZSA-N -1 0 321.333 -0.576 20 0 DBADRM COCCCNC(=O)[C@H](C)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000828950218 604621329 /nfs/dbraw/zinc/62/13/29/604621329.db2.gz FOKWSZOOTYFTAR-SRVKXCTJSA-N -1 0 317.386 -0.116 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)NC2CN(C(=O)[O-])C2)CCO1 ZINC000827298983 604623049 /nfs/dbraw/zinc/62/30/49/604623049.db2.gz PHJZHYZTMBTQOA-SECBINFHSA-N -1 0 301.299 -0.678 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC000831198294 604623970 /nfs/dbraw/zinc/62/39/70/604623970.db2.gz FPNHLZNEMNKFPC-VIFPVBQESA-N -1 0 301.299 -0.678 20 0 DBADRM C[C@]1(c2ccco2)NC(=O)N(CC(=O)NCCC(=O)[O-])C1=O ZINC000833579715 604624770 /nfs/dbraw/zinc/62/47/70/604624770.db2.gz WOKPCELRIYRJKP-CYBMUJFWSA-N -1 0 309.278 -0.363 20 0 DBADRM CCN(C(=O)Cn1ncn2nccc2c1=O)C1CN(C(=O)[O-])C1 ZINC000826980004 604627984 /nfs/dbraw/zinc/62/79/84/604627984.db2.gz QJJHJNZNONFWSS-UHFFFAOYSA-N -1 0 320.309 -0.898 20 0 DBADRM CN(CC(=O)N1CCCC1)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828090949 604664131 /nfs/dbraw/zinc/66/41/31/604664131.db2.gz SWNFJPORKUMTDG-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM CN(C)C(=O)[C@H]1CCCN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827954694 604665399 /nfs/dbraw/zinc/66/53/99/604665399.db2.gz XOGVRIMMJAMRJO-GHMZBOCLSA-N -1 0 313.354 -0.166 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCO1 ZINC000825336445 604667028 /nfs/dbraw/zinc/66/70/28/604667028.db2.gz SPAHDTUCQBXIDK-WPRPVWTQSA-N -1 0 310.310 -0.723 20 0 DBADRM CN(CC(=O)N1CCC[C@@H]1CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000830665673 604667373 /nfs/dbraw/zinc/66/73/73/604667373.db2.gz LDSLAHNMJVIBLO-MNOVXSKESA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@]1(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)CCS(=O)(=O)C1 ZINC000825755761 604672738 /nfs/dbraw/zinc/67/27/38/604672738.db2.gz WACPSMSCEOPSHK-KCJUWKMLSA-N -1 0 306.340 -0.941 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828624316 604672810 /nfs/dbraw/zinc/67/28/10/604672810.db2.gz MUZXVHFHJHPASA-RGOKHQFPSA-N -1 0 300.311 -0.321 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCc1nnc2n1CCC2 ZINC000831387257 604674767 /nfs/dbraw/zinc/67/47/67/604674767.db2.gz FIFFCWDTBPAUDE-SECBINFHSA-N -1 0 309.326 -0.391 20 0 DBADRM C[C@H](C(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1)S(C)(=O)=O ZINC000825295923 604675159 /nfs/dbraw/zinc/67/51/59/604675159.db2.gz YAYNNAPJIUAZLN-DJLDLDEBSA-N -1 0 308.356 -0.697 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc3nnnn3c2)CCO1 ZINC000825334273 604679648 /nfs/dbraw/zinc/67/96/48/604679648.db2.gz GZINWTWXPRNRJD-PSASIEDQSA-N -1 0 320.309 -0.379 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCCCNC(N)=O)CCO1 ZINC000825302952 604682853 /nfs/dbraw/zinc/68/28/53/604682853.db2.gz UDPJGRAVJMBXKV-UWVGGRQHSA-N -1 0 316.358 -0.292 20 0 DBADRM CC(=O)NCCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833397520 604687411 /nfs/dbraw/zinc/68/74/11/604687411.db2.gz RAYNRXBIXFPOIH-UHFFFAOYSA-N -1 0 301.324 -0.416 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cccn(C)c2=O)CCO1 ZINC000825335784 604688813 /nfs/dbraw/zinc/68/88/13/604688813.db2.gz PJBFYVPBTOVMSU-KOLCDFICSA-N -1 0 309.322 -0.118 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(C(N)=O)cn2C)CCO1 ZINC000825327539 604688880 /nfs/dbraw/zinc/68/88/80/604688880.db2.gz RDUFBDLRJINLEF-GZMMTYOYSA-N -1 0 324.337 -0.379 20 0 DBADRM CC(C)NC(=O)CCNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824369787 604690814 /nfs/dbraw/zinc/69/08/14/604690814.db2.gz VDSUBNFUZVJTGM-SNVBAGLBSA-N -1 0 301.343 -0.214 20 0 DBADRM CN(C)C(=O)CCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833687261 604692550 /nfs/dbraw/zinc/69/25/50/604692550.db2.gz BORCOBZVFZYXRA-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000823569180 604694377 /nfs/dbraw/zinc/69/43/77/604694377.db2.gz XIXLFYQXXPBGBK-SCZZXKLOSA-N -1 0 301.343 -0.215 20 0 DBADRM CNC(=O)C1(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)CCC1 ZINC000828526099 604694599 /nfs/dbraw/zinc/69/45/99/604694599.db2.gz GYEYHEZNOVKJSW-VHSXEESVSA-N -1 0 313.354 -0.214 20 0 DBADRM COC(=O)N(C)CC(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1 ZINC000831198245 604696534 /nfs/dbraw/zinc/69/65/34/604696534.db2.gz CKRZMOIWUVFLKC-SSDOTTSWSA-N -1 0 300.271 -0.335 20 0 DBADRM C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833591740 604696539 /nfs/dbraw/zinc/69/65/39/604696539.db2.gz IEZDLGALLXIVMQ-MRVPVSSYSA-N -1 0 313.335 -0.321 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000826944888 604697261 /nfs/dbraw/zinc/69/72/61/604697261.db2.gz LPMZMFVSKZKHCI-UWVGGRQHSA-N -1 0 322.383 -0.305 20 0 DBADRM C[C@H](OC(=O)CCN1C(=O)CCC1=O)c1cn(CC(=O)[O-])nn1 ZINC000827833700 604699323 /nfs/dbraw/zinc/69/93/23/604699323.db2.gz NAHRSGRRIVBOSA-QMMMGPOBSA-N -1 0 324.293 -0.494 20 0 DBADRM C[C@@H](OC(=O)C1=NN(C)C(=O)CC1)c1cn(CC(=O)[O-])nn1 ZINC000827817145 604699487 /nfs/dbraw/zinc/69/94/87/604699487.db2.gz INQJQBVKUGWVGZ-SSDOTTSWSA-N -1 0 309.282 -0.425 20 0 DBADRM CCNC(=O)CCC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827236672 604700889 /nfs/dbraw/zinc/70/08/89/604700889.db2.gz ISUDWUGIYLJLPN-UWVGGRQHSA-N -1 0 301.343 -0.214 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CCSc1nnnn1C ZINC000829949216 604713277 /nfs/dbraw/zinc/71/32/77/604713277.db2.gz YXQJYMHDEPSNKW-QMMMGPOBSA-N -1 0 317.371 -0.360 20 0 DBADRM CN([C@@H]1CCNC1=O)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000833691052 604713719 /nfs/dbraw/zinc/71/37/19/604713719.db2.gz HVVLMNZSGLISPK-LLVKDONJSA-N -1 0 312.347 -0.177 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000829938152 604714774 /nfs/dbraw/zinc/71/47/74/604714774.db2.gz BWBJMHSPKCYKKI-WDEREUQCSA-N -1 0 316.354 -0.571 20 0 DBADRM NC(=O)Cn1cc(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000831199576 604714824 /nfs/dbraw/zinc/71/48/24/604714824.db2.gz DPYJYRNAFRBDTM-VIFPVBQESA-N -1 0 311.298 -0.924 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@H](O)C2CCOCC2)CCO1 ZINC000825294107 604725969 /nfs/dbraw/zinc/72/59/69/604725969.db2.gz JXTLKJJPZDJHAZ-MVWJERBFSA-N -1 0 316.354 -0.343 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825301110 604725975 /nfs/dbraw/zinc/72/59/75/604725975.db2.gz IFQCFKJXBPUBNX-VHSXEESVSA-N -1 0 322.383 -0.307 20 0 DBADRM CN(C(=O)CN1CCS(=O)(=O)CC1)C1(C(=O)[O-])CCCC1 ZINC000830485989 604726876 /nfs/dbraw/zinc/72/68/76/604726876.db2.gz SLBTWURSBHULMA-UHFFFAOYSA-N -1 0 318.395 -0.427 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000829955752 604730971 /nfs/dbraw/zinc/73/09/71/604730971.db2.gz SEKAZHIJZLCGPM-MRVPVSSYSA-N -1 0 315.326 -0.735 20 0 DBADRM COC(=O)N1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828704122 604731337 /nfs/dbraw/zinc/73/13/37/604731337.db2.gz IEDPHLWFIJKWEG-JTQLQIEISA-N -1 0 315.326 -0.334 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CN2CSCC2=O)CCO1 ZINC000825302566 604734838 /nfs/dbraw/zinc/73/48/38/604734838.db2.gz RFERBAICZXDDGD-DTWKUNHWSA-N -1 0 317.367 -0.597 20 0 DBADRM CC[C@](C)(NC(=O)CNS(=O)(=O)CCCOC)C(=O)[O-] ZINC000262180392 604735287 /nfs/dbraw/zinc/73/52/87/604735287.db2.gz PWOQWLPCVWJSRK-NSHDSACASA-N -1 0 310.372 -0.688 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CCN1CCCS1(=O)=O ZINC000829945559 604735701 /nfs/dbraw/zinc/73/57/01/604735701.db2.gz FBAXNJJBCRVDKC-SNVBAGLBSA-N -1 0 322.383 -0.640 20 0 DBADRM CCCN(CC(=O)N(C)C)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826898420 604735945 /nfs/dbraw/zinc/73/59/45/604735945.db2.gz VKPCTMISPSFKLA-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM CCCN(CC(=O)N(C)C)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000826898424 604735952 /nfs/dbraw/zinc/73/59/52/604735952.db2.gz VKPCTMISPSFKLA-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM NC(=O)c1ccc(NC(=O)N2CCC(O)(C(=O)[O-])CC2)cn1 ZINC000833762029 604735972 /nfs/dbraw/zinc/73/59/72/604735972.db2.gz AGKYZUFPKAENFD-UHFFFAOYSA-N -1 0 308.294 -0.376 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CN2CCN(C)CC2)CCO1 ZINC000825300320 604736135 /nfs/dbraw/zinc/73/61/35/604736135.db2.gz CWRGHZWUBXILSO-NWDGAFQWSA-N -1 0 314.386 -0.883 20 0 DBADRM C[C@H](C(=O)N1CCC(O)(C(=O)[O-])CC1)N1CCSCC1 ZINC000833403228 604747260 /nfs/dbraw/zinc/74/72/60/604747260.db2.gz FSUSFKZUXCGOGL-SNVBAGLBSA-N -1 0 302.396 -0.138 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)NCCNc2ncccn2)C1 ZINC000831381933 604754092 /nfs/dbraw/zinc/75/40/92/604754092.db2.gz OCIOZJDQYUMCMY-SNVBAGLBSA-N -1 0 309.326 -0.226 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000740341332 604754848 /nfs/dbraw/zinc/75/48/48/604754848.db2.gz QFKHSFVVUOYOEB-UHFFFAOYSA-N -1 0 313.335 -0.645 20 0 DBADRM O=C([O-])N1CC(NC(=O)Cn2ncc3ccccc3c2=O)C1 ZINC000740389935 604757958 /nfs/dbraw/zinc/75/79/58/604757958.db2.gz FTCJFLJKOCKUJS-UHFFFAOYSA-N -1 0 302.290 -0.125 20 0 DBADRM CN(C)C(=O)CCN1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000827953724 604764280 /nfs/dbraw/zinc/76/42/80/604764280.db2.gz LLIZLRFJUVILEL-UHFFFAOYSA-N -1 0 312.370 -0.591 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)NC2CN(C(=O)[O-])C2)C1=O ZINC000739072194 604766929 /nfs/dbraw/zinc/76/69/29/604766929.db2.gz BCPHBIFWUKVCSL-CYBMUJFWSA-N -1 0 310.310 -0.815 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)N(CC(=O)[O-])C1CCOCC1 ZINC000829799050 604770150 /nfs/dbraw/zinc/77/01/50/604770150.db2.gz AAWOYZGMEAIGEL-VIFPVBQESA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCS(C)(=O)=O)CCO1 ZINC000825301338 604772389 /nfs/dbraw/zinc/77/23/89/604772389.db2.gz IRIHHYDLYAEEAX-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM C[C@@H](CS(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C)C(=O)[O-] ZINC000827525238 604775259 /nfs/dbraw/zinc/77/52/59/604775259.db2.gz RDMQCLHNGRFAJQ-QMMMGPOBSA-N -1 0 322.383 -0.847 20 0 DBADRM COc1ccc(C(=O)NCC(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000829286378 604775468 /nfs/dbraw/zinc/77/54/68/604775468.db2.gz YCIBHHCLHDLURG-UHFFFAOYSA-N -1 0 307.306 -0.097 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Cn1ncn(C)c1=O ZINC000833696539 604783749 /nfs/dbraw/zinc/78/37/49/604783749.db2.gz NGZOPWPESLOTRW-UHFFFAOYSA-N -1 0 304.306 -0.061 20 0 DBADRM CCS(=O)(=O)CCN(C)CCc1cn(CC(=O)[O-])nn1 ZINC000833665645 604785356 /nfs/dbraw/zinc/78/53/56/604785356.db2.gz KGKFTOSUCXNMSB-UHFFFAOYSA-N -1 0 304.372 -0.728 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(N)(=O)=O)cn2)C1 ZINC000833554285 604789227 /nfs/dbraw/zinc/78/92/27/604789227.db2.gz QLCXLPLGWMVIIS-LBPRGKRZSA-N -1 0 313.335 -0.334 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)nc1 ZINC000833761885 604789565 /nfs/dbraw/zinc/78/95/65/604789565.db2.gz CRAJYBBEBYFOHG-JTQLQIEISA-N -1 0 313.335 -0.288 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)nc1 ZINC000833761886 604790051 /nfs/dbraw/zinc/79/00/51/604790051.db2.gz CRAJYBBEBYFOHG-SNVBAGLBSA-N -1 0 313.335 -0.288 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCN(CC(F)F)CC2)C1 ZINC000832050205 604790563 /nfs/dbraw/zinc/79/05/63/604790563.db2.gz NWGWWJNTKUEENB-SECBINFHSA-N -1 0 307.297 -0.226 20 0 DBADRM CCN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)[C@H]1CC(=O)NC1=O ZINC000826975234 604792602 /nfs/dbraw/zinc/79/26/02/604792602.db2.gz AXCVZTNQXGTKGZ-BDAKNGLRSA-N -1 0 313.310 -0.981 20 0 DBADRM C[C@H]1[C@H](C)N(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CCN1C ZINC000833586507 604803037 /nfs/dbraw/zinc/80/30/37/604803037.db2.gz GEZIDXDTAQJOMA-UWVGGRQHSA-N -1 0 316.383 -0.319 20 0 DBADRM C[C@@H]1CN(CCNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000826059529 604803576 /nfs/dbraw/zinc/80/35/76/604803576.db2.gz WNYAYIHNXMPYHO-VXGBXAGGSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@H]1OCC[C@@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000833634531 604805439 /nfs/dbraw/zinc/80/54/39/604805439.db2.gz MXGFRSNIUNRALN-NEPJUHHUSA-N -1 0 300.355 -0.343 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCC(=O)Nc2cccnc2)C1 ZINC000831489515 604809426 /nfs/dbraw/zinc/80/94/26/604809426.db2.gz TWRYQANKOXPRKO-SNVBAGLBSA-N -1 0 308.294 -0.485 20 0 DBADRM C[C@H]1COCCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000399656931 604811407 /nfs/dbraw/zinc/81/14/07/604811407.db2.gz DKJDQOLGKDQUMJ-VIFPVBQESA-N -1 0 303.340 -0.233 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828704313 604812434 /nfs/dbraw/zinc/81/24/34/604812434.db2.gz JYJXLKOELPASIF-NXEZZACHSA-N -1 0 315.326 -0.288 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000830800268 604816187 /nfs/dbraw/zinc/81/61/87/604816187.db2.gz WNFSJQNMPKKGJB-GHMZBOCLSA-N -1 0 323.353 -0.214 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000823771340 604822607 /nfs/dbraw/zinc/82/26/07/604822607.db2.gz AZLMILWUWHBYGC-SECBINFHSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@H](OC(=O)c1cnc2c(c1)NC(=O)CO2)C(=O)NCC(=O)[O-] ZINC000833537237 604823553 /nfs/dbraw/zinc/82/35/53/604823553.db2.gz WAHQGVMCTKAMEN-LURJTMIESA-N -1 0 323.261 -0.841 20 0 DBADRM CC(C)[C@H]1C(=O)NCCN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824156350 604825321 /nfs/dbraw/zinc/82/53/21/604825321.db2.gz FCRAQYPRUJGWJZ-PWSUYJOCSA-N -1 0 313.354 -0.262 20 0 DBADRM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(S(C)(=O)=O)CC2)O1 ZINC000833580317 604826235 /nfs/dbraw/zinc/82/62/35/604826235.db2.gz PMNWYGQHOAIMMT-JTQLQIEISA-N -1 0 304.368 -0.289 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCCN2CCOC2=O)C1 ZINC000831676677 604826869 /nfs/dbraw/zinc/82/68/69/604826869.db2.gz REFWBAJQRLJGAO-SECBINFHSA-N -1 0 301.299 -0.676 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000828642694 604830439 /nfs/dbraw/zinc/83/04/39/604830439.db2.gz XDJNRQHFFGEZFJ-VHSXEESVSA-N -1 0 316.310 -0.844 20 0 DBADRM C[C@H](C(=O)NCCCNC(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC000823692023 604831245 /nfs/dbraw/zinc/83/12/45/604831245.db2.gz CIJZAKCMDGXRSC-SECBINFHSA-N -1 0 322.383 -0.257 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000830978548 604837073 /nfs/dbraw/zinc/83/70/73/604837073.db2.gz IACLPEJNXNLEEM-ZETCQYMHSA-N -1 0 315.355 -0.859 20 0 DBADRM CN(CC(=O)OCCc1cn(CC(=O)[O-])nn1)C(=O)C1CC1 ZINC000830702191 604838865 /nfs/dbraw/zinc/83/88/65/604838865.db2.gz QAIWPUYFYZVXFS-UHFFFAOYSA-N -1 0 310.310 -0.683 20 0 DBADRM COC(=O)CSCCNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828689417 604838986 /nfs/dbraw/zinc/83/89/86/604838986.db2.gz QBKIYDFLUGVXDO-MRVPVSSYSA-N -1 0 306.340 -0.612 20 0 DBADRM C[C@H]([C@H](C)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)N1CCOCC1 ZINC000825094991 604839361 /nfs/dbraw/zinc/83/93/61/604839361.db2.gz VFGQUNJIFQXDJE-TUAOUCFPSA-N -1 0 315.370 -0.409 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C(=O)OC)C1 ZINC000828556570 604845266 /nfs/dbraw/zinc/84/52/66/604845266.db2.gz DIPRINHBHDLLLX-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N[C@@H](CC(=O)OC)C(=O)[O-])C1 ZINC000828558244 604845474 /nfs/dbraw/zinc/84/54/74/604845474.db2.gz RTSTULVQJUNVJG-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCOC[C@@H]2CCOC2)C1 ZINC000831694201 604854976 /nfs/dbraw/zinc/85/49/76/604854976.db2.gz SJKPIQAVOFKRCE-GHMZBOCLSA-N -1 0 302.327 -0.466 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827472667 604859038 /nfs/dbraw/zinc/85/90/38/604859038.db2.gz WIFFPZBXDMSQRS-NXEZZACHSA-N -1 0 322.383 -0.305 20 0 DBADRM COCCc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)n(C)n1 ZINC000818545440 604864943 /nfs/dbraw/zinc/86/49/43/604864943.db2.gz LKDNWXVWTNJPPQ-VIFPVBQESA-N -1 0 324.337 -0.519 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCCOC[C@@H]2CCOC2)C1 ZINC000831680321 604868222 /nfs/dbraw/zinc/86/82/22/604868222.db2.gz GMMDEXWDSSGNFX-RYUDHWBXSA-N -1 0 316.354 -0.075 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831174143 604868567 /nfs/dbraw/zinc/86/85/67/604868567.db2.gz QXNVNHXYQUVRKW-OUAUKWLOSA-N -1 0 313.354 -0.084 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCc1nnnn1C1CC1 ZINC000831388221 604877418 /nfs/dbraw/zinc/87/74/18/604877418.db2.gz UEBRZJVTUQLMPS-SECBINFHSA-N -1 0 310.314 -0.607 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCc1nnnn1C1CC1 ZINC000831388222 604877435 /nfs/dbraw/zinc/87/74/35/604877435.db2.gz UEBRZJVTUQLMPS-VIFPVBQESA-N -1 0 310.314 -0.607 20 0 DBADRM COc1ccc(S(=O)(=O)NCCO)c(OC)c1C(=O)[O-] ZINC000833734218 604878248 /nfs/dbraw/zinc/87/82/48/604878248.db2.gz OSOYKFGQVWDIQC-UHFFFAOYSA-N -1 0 305.308 -0.327 20 0 DBADRM CNC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828530737 604885570 /nfs/dbraw/zinc/88/55/70/604885570.db2.gz AGKVZQQXBSHLOY-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM CC1=C(C(=O)[O-])C[C@@H](Cn2cnc3c2c(=O)n(C)c(=O)n3C)O1 ZINC000833580191 604885793 /nfs/dbraw/zinc/88/57/93/604885793.db2.gz UTCPRULQPOCPHR-QMMMGPOBSA-N -1 0 320.305 -0.419 20 0 DBADRM C[C@]1(NC(=O)c2cn(CC(N)=O)nn2)CCCC[C@H]1C(=O)[O-] ZINC000833572298 604892317 /nfs/dbraw/zinc/89/23/17/604892317.db2.gz MGDWBZTWSVTFQL-SDBXPKJASA-N -1 0 309.326 -0.473 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000825002580 604892446 /nfs/dbraw/zinc/89/24/46/604892446.db2.gz UVPMEFVYLGOZHK-VWYCJHECSA-N -1 0 302.327 -0.325 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000831374167 604893961 /nfs/dbraw/zinc/89/39/61/604893961.db2.gz HOJDOBJQRXUPQA-ZJUUUORDSA-N -1 0 320.367 -0.551 20 0 DBADRM NC(=O)c1ccc(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000831222325 604894280 /nfs/dbraw/zinc/89/42/80/604894280.db2.gz CNBZNQSBOBRCRA-JTQLQIEISA-N -1 0 308.294 -0.825 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)N[C@H]2CC[S@@](=O)C2)CCO1 ZINC000825308436 604895478 /nfs/dbraw/zinc/89/54/78/604895478.db2.gz FZIZYHWPNCFGSY-AZEIHPCSSA-N -1 0 319.383 -0.426 20 0 DBADRM COc1ncc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1C(N)=O ZINC000829659905 604901069 /nfs/dbraw/zinc/90/10/69/604901069.db2.gz GRVZIMOBDNPLSC-VIFPVBQESA-N -1 0 324.293 -0.494 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000824809927 604903084 /nfs/dbraw/zinc/90/30/84/604903084.db2.gz MKNQVZFMXUTGKU-ZJUUUORDSA-N -1 0 322.383 -0.305 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833421261 604903907 /nfs/dbraw/zinc/90/39/07/604903907.db2.gz XPCRQJWYAAOCCK-LLVKDONJSA-N -1 0 300.355 -0.167 20 0 DBADRM CN(C)c1ncc(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)n1C ZINC000828078601 604905792 /nfs/dbraw/zinc/90/57/92/604905792.db2.gz ZAIQLEMGWVFDSC-JTQLQIEISA-N -1 0 311.342 -0.519 20 0 DBADRM COCCN(CCC(=O)OC)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828979282 604910238 /nfs/dbraw/zinc/91/02/38/604910238.db2.gz DWLVYIGTBHCZBN-JTQLQIEISA-N -1 0 318.326 -0.597 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827471169 604910357 /nfs/dbraw/zinc/91/03/57/604910357.db2.gz GTZLWTHNZXLYQJ-NXEZZACHSA-N -1 0 322.383 -0.353 20 0 DBADRM CCn1c(N)c(C(=O)CN(CC(=O)[O-])C2CC2)c(=O)[nH]c1=O ZINC000833683550 604916733 /nfs/dbraw/zinc/91/67/33/604916733.db2.gz IOOCZYDOIRSYKS-UHFFFAOYSA-N -1 0 310.310 -0.717 20 0 DBADRM CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000827642539 604917803 /nfs/dbraw/zinc/91/78/03/604917803.db2.gz JEUSFTZGGSLGBY-ZJUUUORDSA-N -1 0 323.353 -0.350 20 0 DBADRM CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000827642537 604917921 /nfs/dbraw/zinc/91/79/21/604917921.db2.gz JEUSFTZGGSLGBY-VHSXEESVSA-N -1 0 323.353 -0.350 20 0 DBADRM NC(=O)C1(CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCCC1 ZINC000831167995 604921498 /nfs/dbraw/zinc/92/14/98/604921498.db2.gz VFAQGSKAKDETQZ-JTQLQIEISA-N -1 0 313.354 -0.083 20 0 DBADRM COc1ncc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1C(N)=O ZINC000829659594 604921875 /nfs/dbraw/zinc/92/18/75/604921875.db2.gz DHFFMUNDTSXFJN-CBAPKCEASA-N -1 0 324.293 -0.759 20 0 DBADRM COCCN1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C[C@H]1C ZINC000828992989 604925138 /nfs/dbraw/zinc/92/51/38/604925138.db2.gz UGJLZZVOAXWNEH-NEPJUHHUSA-N -1 0 315.370 -0.456 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(c2cncc(F)c2)CC1 ZINC000833404127 604929094 /nfs/dbraw/zinc/92/90/94/604929094.db2.gz HDCCLZYGWWSXHC-JTQLQIEISA-N -1 0 310.329 -0.068 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCS1(=O)=O ZINC000825975818 604943962 /nfs/dbraw/zinc/94/39/62/604943962.db2.gz ROQDQPSBRBZOEL-BDAKNGLRSA-N -1 0 306.340 -0.989 20 0 DBADRM CCn1c(N)c(C(=O)CN(C)C(C)(C)C(=O)[O-])c(=O)[nH]c1=O ZINC000833683688 604948663 /nfs/dbraw/zinc/94/86/63/604948663.db2.gz LRUYVHIEIUECID-UHFFFAOYSA-N -1 0 312.326 -0.471 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828266224 604949172 /nfs/dbraw/zinc/94/91/72/604949172.db2.gz DPWMLTHSRSBNLG-NXEZZACHSA-N -1 0 320.367 -0.742 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000827300077 604949186 /nfs/dbraw/zinc/94/91/86/604949186.db2.gz VCYSOSCULKJFTP-VHSXEESVSA-N -1 0 316.310 -0.844 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000827300075 604949267 /nfs/dbraw/zinc/94/92/67/604949267.db2.gz VCYSOSCULKJFTP-NXEZZACHSA-N -1 0 316.310 -0.844 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000832050105 604950091 /nfs/dbraw/zinc/95/00/91/604950091.db2.gz NDPJAANKCZQYNZ-XVKPBYJWSA-N -1 0 312.244 -0.109 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)CNC(=O)c1cccnc1)C1CC1 ZINC000832420430 604951595 /nfs/dbraw/zinc/95/15/95/604951595.db2.gz DBMIHWQXDDQYCB-LLVKDONJSA-N -1 0 306.322 -0.026 20 0 DBADRM C[C@@H](CO)NC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1 ZINC000832803127 604958302 /nfs/dbraw/zinc/95/83/02/604958302.db2.gz HWVVLUHAJHRCRN-VIFPVBQESA-N -1 0 319.317 -0.097 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC000833740089 604958755 /nfs/dbraw/zinc/95/87/55/604958755.db2.gz BKAPNNSNALWPDU-JGVFFNPUSA-N -1 0 301.299 -0.948 20 0 DBADRM C[C@@H](OC(=O)[C@H](C)NC(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC000833532750 604959032 /nfs/dbraw/zinc/95/90/32/604959032.db2.gz UVEAGNIOCDMGRV-JGVFFNPUSA-N -1 0 315.326 -0.689 20 0 DBADRM COCCc1cc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)n(C)n1 ZINC000818545541 604962777 /nfs/dbraw/zinc/96/27/77/604962777.db2.gz ZLDAEPTUPJBLOL-SNVBAGLBSA-N -1 0 312.326 -0.074 20 0 DBADRM C[C@H](CN(C)[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000827442751 604964513 /nfs/dbraw/zinc/96/45/13/604964513.db2.gz QZHREXIFAXJVNS-KXUCPTDWSA-N -1 0 306.384 -0.669 20 0 DBADRM CN(CC(=O)N(CCO)CCOCC(F)(F)F)C(=O)[O-] ZINC000830665630 604970240 /nfs/dbraw/zinc/97/02/40/604970240.db2.gz HQBPMFKGYKKMRQ-UHFFFAOYSA-N -1 0 302.249 -0.004 20 0 DBADRM COCC[C@](C)(O)CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828933650 604972534 /nfs/dbraw/zinc/97/25/34/604972534.db2.gz FPHABMLSPLEJQF-GWCFXTLKSA-N -1 0 304.343 -0.341 20 0 DBADRM CC(C)(C)NC(=O)NC(=O)CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833431402 604975731 /nfs/dbraw/zinc/97/57/31/604975731.db2.gz VTEKQUKVSNDNEW-NSHDSACASA-N -1 0 315.370 -0.232 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833656774 604976293 /nfs/dbraw/zinc/97/62/93/604976293.db2.gz HFPJBCOOSLRKHR-SCZZXKLOSA-N -1 0 301.343 -0.622 20 0 DBADRM C[C@H](C(=O)Nc1ncccn1)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833412649 604977291 /nfs/dbraw/zinc/97/72/91/604977291.db2.gz WFXDPISBXRXTOP-KOLCDFICSA-N -1 0 308.338 -0.039 20 0 DBADRM C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833549877 604982048 /nfs/dbraw/zinc/98/20/48/604982048.db2.gz HNPMGRSVDQRNFO-WCBMZHEXSA-N -1 0 324.385 -0.262 20 0 DBADRM O=C([O-])CCc1csc(NC(=O)NCCn2ncnn2)n1 ZINC000833240532 604989243 /nfs/dbraw/zinc/98/92/43/604989243.db2.gz RNVUJQJMSRNPNS-UHFFFAOYSA-N -1 0 311.327 -0.032 20 0 DBADRM CN1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000035651755 605006933 /nfs/dbraw/zinc/00/69/33/605006933.db2.gz JKTNLVKGVVWOHD-UHFFFAOYSA-N -1 0 302.356 -0.706 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)nc2)C[C@@H]1C(=O)[O-] ZINC000833625470 605010025 /nfs/dbraw/zinc/01/00/25/605010025.db2.gz YCNRPTQSLFCFQU-APPZFPTMSA-N -1 0 313.335 -0.478 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CC(=O)[O-])cn1 ZINC000833761851 605010509 /nfs/dbraw/zinc/01/05/09/605010509.db2.gz BKXOVQNXPQFQME-SECBINFHSA-N -1 0 313.335 -0.192 20 0 DBADRM C[C@@H](OC(=O)c1ccccc1NC(=O)Cn1cnnn1)C(=O)[O-] ZINC000737719939 605012740 /nfs/dbraw/zinc/01/27/40/605012740.db2.gz XOSXETRLFWRKPP-MRVPVSSYSA-N -1 0 319.277 -0.058 20 0 DBADRM C[C@@H](OC(=O)c1cncc(C(=O)[O-])c1)C(=O)N1CCNC1=O ZINC000833534785 605016990 /nfs/dbraw/zinc/01/69/90/605016990.db2.gz CTRVGUNJIGACOL-SSDOTTSWSA-N -1 0 307.262 -0.123 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CC[C@H](NC(N)=O)C1)C(=O)[O-] ZINC000833477990 605018327 /nfs/dbraw/zinc/01/83/27/605018327.db2.gz NMZWUFGVJJHEOF-UWVGGRQHSA-N -1 0 300.359 -0.656 20 0 DBADRM CC(=O)N1CCOC[C@H]1C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000833392032 605025326 /nfs/dbraw/zinc/02/53/26/605025326.db2.gz QMIPDFUFNFAABC-VIFPVBQESA-N -1 0 313.335 -0.044 20 0 DBADRM C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000110662540 605025508 /nfs/dbraw/zinc/02/55/08/605025508.db2.gz IZDJKUWLPFXGGB-LURJTMIESA-N -1 0 304.349 -0.045 20 0 DBADRM C[C@H]1C(=O)NCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833583567 605025872 /nfs/dbraw/zinc/02/58/72/605025872.db2.gz ISOQZBBOAVHIMU-YFKPBYRVSA-N -1 0 305.337 -0.650 20 0 DBADRM CC(C)(CC(=O)[O-])CC(=O)OCC(=O)N1CCNC(=O)C1 ZINC000833456100 605033632 /nfs/dbraw/zinc/03/36/32/605033632.db2.gz DLCVWCIKSGZHCZ-UHFFFAOYSA-N -1 0 300.311 -0.621 20 0 DBADRM NC(=O)c1ccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)cc1F ZINC000833762772 605034777 /nfs/dbraw/zinc/03/47/77/605034777.db2.gz VWLYUPXIXANVTL-UHFFFAOYSA-N -1 0 324.268 -0.659 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H](O)C2CCOCC2)c[nH]1 ZINC000833780621 605037071 /nfs/dbraw/zinc/03/70/71/605037071.db2.gz YKGWKMUACNLJGM-LLVKDONJSA-N -1 0 318.351 -0.221 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC000833762379 605040908 /nfs/dbraw/zinc/04/09/08/605040908.db2.gz QKKBAAZPBJSSLL-SECBINFHSA-N -1 0 313.335 -0.334 20 0 DBADRM CC(C)(CCO)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000227899841 605041984 /nfs/dbraw/zinc/04/19/84/605041984.db2.gz XCZIEXCQWVQTDY-UHFFFAOYSA-N -1 0 305.356 -0.345 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@]2(O)CCSC2)c[nH]1 ZINC000705237884 605042857 /nfs/dbraw/zinc/04/28/57/605042857.db2.gz BOEKSIMWEASHPB-JTQLQIEISA-N -1 0 306.365 -0.141 20 0 DBADRM CC(=O)N1CCOC[C@@H]1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000833391416 605045014 /nfs/dbraw/zinc/04/50/14/605045014.db2.gz KFVNMFWZWZVYEX-VXGBXAGGSA-N -1 0 310.350 -0.053 20 0 DBADRM CN(CC(C)(C)S(C)(=O)=O)C(=O)NC1CN(C(=O)[O-])C1 ZINC000833692601 605051741 /nfs/dbraw/zinc/05/17/41/605051741.db2.gz SFXQEKMBDSFWHW-UHFFFAOYSA-N -1 0 307.372 -0.187 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccnc3c(C(N)=O)cnn32)C[C@H]1C(=O)[O-] ZINC000833626493 605054411 /nfs/dbraw/zinc/05/44/11/605054411.db2.gz XLHGHQMRTBKLDT-VXNVDRBHSA-N -1 0 317.305 -0.379 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@]2(CCO)CCOC2)c[nH]1 ZINC000833780623 605060420 /nfs/dbraw/zinc/06/04/20/605060420.db2.gz YKJRXWKOIKZNMV-GFCCVEGCSA-N -1 0 318.351 -0.220 20 0 DBADRM C[C@H](C(=O)OCC(=O)NCCC(=O)[O-])N1CCSCC1 ZINC000833408966 605068961 /nfs/dbraw/zinc/06/89/61/605068961.db2.gz GMBZUSKYOMWQJS-SECBINFHSA-N -1 0 304.368 -0.442 20 0 DBADRM C[C@@H](C(=O)OCC(=O)NCCC(=O)[O-])N1CCSCC1 ZINC000833408967 605069080 /nfs/dbraw/zinc/06/90/80/605069080.db2.gz GMBZUSKYOMWQJS-VIFPVBQESA-N -1 0 304.368 -0.442 20 0 DBADRM NC(=O)COCCNS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000230041182 605072794 /nfs/dbraw/zinc/07/27/94/605072794.db2.gz RSCPDKKSRUODGO-UHFFFAOYSA-N -1 0 308.337 -0.774 20 0 DBADRM CCNC(=O)NCCCOC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827254387 605073023 /nfs/dbraw/zinc/07/30/23/605073023.db2.gz BRWZWJPBPYTJNK-VIFPVBQESA-N -1 0 303.315 -0.382 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000314107076 605073202 /nfs/dbraw/zinc/07/32/02/605073202.db2.gz JSBXMWXNIBYGSU-KWQFWETISA-N -1 0 306.322 -0.468 20 0 DBADRM CCN1C[C@H](COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1=O ZINC000827198962 605083106 /nfs/dbraw/zinc/08/31/06/605083106.db2.gz MQPTXODLBVUTQR-ZJUUUORDSA-N -1 0 300.311 -0.223 20 0 DBADRM NC(=O)COc1ccc(OC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831194864 605083158 /nfs/dbraw/zinc/08/31/58/605083158.db2.gz SVEQKDYBFQQPPU-NSHDSACASA-N -1 0 324.289 -0.165 20 0 DBADRM CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000829665160 605086819 /nfs/dbraw/zinc/08/68/19/605086819.db2.gz RMAOBZYOTNZDQQ-IVZWLZJFSA-N -1 0 321.351 -0.126 20 0 DBADRM CC[S@@](=O)CCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000133824852 605087524 /nfs/dbraw/zinc/08/75/24/605087524.db2.gz ZUEIRAYNSYVCAC-FQEVSTJZSA-N -1 0 306.384 -0.064 20 0 DBADRM CC1CCC(N2C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])CC2=O)CC1 ZINC000833602254 605089492 /nfs/dbraw/zinc/08/94/92/605089492.db2.gz AZTZJJCELXTWRL-ADPBJBESSA-N -1 0 312.366 -0.025 20 0 DBADRM CN1C(=O)C[C@H](C(=O)NC[C@H](O)C(=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000833697804 605090690 /nfs/dbraw/zinc/09/06/90/605090690.db2.gz KLMFXCNFGCOLAE-GVXVVHGQSA-N -1 0 324.308 -0.093 20 0 DBADRM CS(=O)(=O)CCCOC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829673954 605094191 /nfs/dbraw/zinc/09/41/91/605094191.db2.gz MBEZOVBMGGGFFE-SECBINFHSA-N -1 0 309.340 -0.267 20 0 DBADRM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC000833423367 605095635 /nfs/dbraw/zinc/09/56/35/605095635.db2.gz VSMBJUTZZNZFQT-UWVGGRQHSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@@H]1CN(CCNC(=O)N2CC[C@H](NC(=O)[O-])C2)CCO1 ZINC000739184135 605098261 /nfs/dbraw/zinc/09/82/61/605098261.db2.gz VCGRZAWCWXHXDU-MNOVXSKESA-N -1 0 300.359 -0.241 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@H](NC(=O)[O-])C1)CC2 ZINC000740230120 605099099 /nfs/dbraw/zinc/09/90/99/605099099.db2.gz BVNJMMZPUOXUMD-UWVGGRQHSA-N -1 0 308.342 -0.047 20 0 DBADRM NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NCC(=O)[O-])c1 ZINC000821364132 605102880 /nfs/dbraw/zinc/10/28/80/605102880.db2.gz PKJKXIZHAXXMMV-UHFFFAOYSA-N -1 0 310.690 -0.059 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)N2CC[C@H](NC(=O)[O-])C2)O1 ZINC000831171809 605110518 /nfs/dbraw/zinc/11/05/18/605110518.db2.gz GAWRFTUPBUAFMI-DJLDLDEBSA-N -1 0 300.315 -0.929 20 0 DBADRM COc1ccncc1NC(=O)C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739984029 605112697 /nfs/dbraw/zinc/11/26/97/605112697.db2.gz KRYXYVRYJMIBAR-QMMMGPOBSA-N -1 0 308.294 -0.103 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](NC(=O)[O-])C2)s1 ZINC000740341729 605126886 /nfs/dbraw/zinc/12/68/86/605126886.db2.gz VEOLKPPULSSWNJ-LURJTMIESA-N -1 0 319.364 -0.122 20 0 DBADRM C[C@@H](CCNC(=O)CN1CCN(C(=O)[O-])CC1=O)[S@](C)=O ZINC000824785023 605135723 /nfs/dbraw/zinc/13/57/23/605135723.db2.gz BQYYDAUPFYIFKJ-FPVGNUTFSA-N -1 0 319.383 -0.918 20 0 DBADRM C[C@H](C(=O)NCC1(C(=O)[O-])CCOCC1)N1CCN(C)CC1 ZINC000833403640 605136589 /nfs/dbraw/zinc/13/65/89/605136589.db2.gz BZJHONRGUOZSBH-GFCCVEGCSA-N -1 0 313.398 -0.380 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000740343348 605137537 /nfs/dbraw/zinc/13/75/37/605137537.db2.gz YGUYTIUMBKMADK-ZETCQYMHSA-N -1 0 305.298 -0.723 20 0 DBADRM CC(=O)N1CCOC[C@@H]1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000833391002 605139923 /nfs/dbraw/zinc/13/99/23/605139923.db2.gz FYXOERIKEQDWPE-LLVKDONJSA-N -1 0 314.338 -0.769 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N2CC[C@H](NC(=O)[O-])C2)C1=O ZINC000739724373 605140491 /nfs/dbraw/zinc/14/04/91/605140491.db2.gz QNJBWOOFDLNADQ-VIFPVBQESA-N -1 0 312.326 -0.471 20 0 DBADRM CCc1nc([C@@H]2CN(C(=O)NCCNC(=O)[O-])CCO2)n[nH]1 ZINC000827619809 605158923 /nfs/dbraw/zinc/15/89/23/605158923.db2.gz BTAYRLIMAXNWIP-QMMMGPOBSA-N -1 0 312.330 -0.282 20 0 DBADRM C[C@@H](CC[S@@](C)=O)NC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000824810289 605159214 /nfs/dbraw/zinc/15/92/14/605159214.db2.gz PAXKZYAYMHPHLJ-CHNSCGDPSA-N -1 0 319.427 -0.008 20 0 DBADRM CS[C@@H](CO)[C@H](C)NC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000829710466 605160466 /nfs/dbraw/zinc/16/04/66/605160466.db2.gz NCBXSKKMNVYGHQ-ONGXEEELSA-N -1 0 319.427 -0.053 20 0 DBADRM C[C@H]1CN(C(=O)C(C)(C)NC(=O)[O-])CCN1S(C)(=O)=O ZINC000833740647 605166542 /nfs/dbraw/zinc/16/65/42/605166542.db2.gz JPXYCVXDMPRNRQ-QMMMGPOBSA-N -1 0 307.372 -0.475 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000828541872 605169700 /nfs/dbraw/zinc/16/97/00/605169700.db2.gz HIXLUCPMALDLNT-NSHDSACASA-N -1 0 312.370 -0.733 20 0 DBADRM CNC(=O)Cc1noc(CN[C@@](C)(CNC(=O)[O-])C2CC2)n1 ZINC000828546587 605170808 /nfs/dbraw/zinc/17/08/08/605170808.db2.gz FGSQBXFWIDUJDG-ZDUSSCGKSA-N -1 0 311.342 -0.116 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CN1C[C@H](C(=O)[O-])CC1=O ZINC000833588794 605172972 /nfs/dbraw/zinc/17/29/72/605172972.db2.gz RUHORKDEWZKHNY-OPRDCNLKSA-N -1 0 304.368 -0.616 20 0 DBADRM CN(C)c1cc2c(nn1)CCN(CN1C[C@H](C(=O)[O-])CC1=O)C2 ZINC000833690595 605173690 /nfs/dbraw/zinc/17/36/90/605173690.db2.gz DQNDLGNOODTYEC-LLVKDONJSA-N -1 0 319.365 -0.209 20 0 DBADRM O=C([O-])NCc1nnnn1CCc1nnnn1-c1ccccc1 ZINC000832745009 605174863 /nfs/dbraw/zinc/17/48/63/605174863.db2.gz RMVYSEHPXGLLQS-UHFFFAOYSA-N -1 0 315.297 -0.341 20 0 DBADRM C[C@H](CS(=O)(=O)N(CCS(C)(=O)=O)C1CC1)C(=O)[O-] ZINC000833520948 605178863 /nfs/dbraw/zinc/17/88/63/605178863.db2.gz WLYAFMPALJKBTL-MRVPVSSYSA-N -1 0 313.397 -0.454 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)S(=O)(=O)CCCC(=O)[O-] ZINC000833496271 605178896 /nfs/dbraw/zinc/17/88/96/605178896.db2.gz CSPLNJMRTNKTQX-UHFFFAOYSA-N -1 0 315.413 -0.064 20 0 DBADRM O=C([O-])NCc1nnnn1CC(=O)NCC(=O)c1cccs1 ZINC000832738195 605180360 /nfs/dbraw/zinc/18/03/60/605180360.db2.gz IEQGSSZXHZPUBY-UHFFFAOYSA-N -1 0 324.322 -0.499 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NCCCN1CCNC(=O)C1 ZINC000833479818 605181190 /nfs/dbraw/zinc/18/11/90/605181190.db2.gz NYKFEUXTGJVSAZ-NSHDSACASA-N -1 0 314.386 -0.393 20 0 DBADRM CC(C)N(CC(=O)[O-])S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000820019796 605183583 /nfs/dbraw/zinc/18/35/83/605183583.db2.gz GOOBEOWMORXNFR-UHFFFAOYSA-N -1 0 322.383 -0.135 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000832375083 605187177 /nfs/dbraw/zinc/18/71/77/605187177.db2.gz CPEOBGZGKWPWBD-DTWKUNHWSA-N -1 0 305.356 -0.385 20 0 DBADRM C[C@H](NC(=O)N[C@H]1CCN(C(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC000825162006 605188538 /nfs/dbraw/zinc/18/85/38/605188538.db2.gz PIGVDAZWMJLFKW-GARJFASQSA-N -1 0 300.359 -0.243 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000832376153 605188998 /nfs/dbraw/zinc/18/89/98/605188998.db2.gz RLFCCHFAALQUHH-SNVBAGLBSA-N -1 0 319.383 -0.137 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])O[C@@H]1CCCNC1=O ZINC000831475005 605198097 /nfs/dbraw/zinc/19/80/97/605198097.db2.gz VJWALHXCTMVQIV-VHSXEESVSA-N -1 0 300.311 -0.033 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)[C@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000825988071 605201572 /nfs/dbraw/zinc/20/15/72/605201572.db2.gz HTGJZWTVANEXLC-NXEZZACHSA-N -1 0 316.310 -0.844 20 0 DBADRM C[C@H]1CN(C(=O)COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000825988072 605201665 /nfs/dbraw/zinc/20/16/65/605201665.db2.gz HTGJZWTVANEXLC-UWVGGRQHSA-N -1 0 316.310 -0.844 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCOCC1 ZINC000825560230 605207797 /nfs/dbraw/zinc/20/77/97/605207797.db2.gz HYABDYGMWUVPIM-UWVGGRQHSA-N -1 0 316.310 -0.844 20 0 DBADRM CC(C)N1CC[C@H](OC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000824363711 605217784 /nfs/dbraw/zinc/21/77/84/605217784.db2.gz WKJPJKFRZNJWNS-VHSXEESVSA-N -1 0 300.311 -0.082 20 0 DBADRM COCCN(CC(=O)N[C@H](C)[C@H]1CN(C)CCO1)C(=O)[O-] ZINC000828970669 605224886 /nfs/dbraw/zinc/22/48/86/605224886.db2.gz CNFAGCNVTOWGNR-GHMZBOCLSA-N -1 0 303.359 -0.552 20 0 DBADRM C[C@@H](COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)CS(C)(=O)=O ZINC000824987585 605226157 /nfs/dbraw/zinc/22/61/57/605226157.db2.gz OMRCMQALVDEODK-VHSXEESVSA-N -1 0 323.367 -0.021 20 0 DBADRM C[C@H](COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)CS(C)(=O)=O ZINC000824987583 605226194 /nfs/dbraw/zinc/22/61/94/605226194.db2.gz OMRCMQALVDEODK-NXEZZACHSA-N -1 0 323.367 -0.021 20 0 DBADRM Cn1cc(C(=O)COC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000830988018 605226771 /nfs/dbraw/zinc/22/67/71/605226771.db2.gz CFRUMKWEPLWIAN-SNVBAGLBSA-N -1 0 311.294 -0.085 20 0 DBADRM COC(=O)N1CC(NC(=O)N[C@H](CNC(=O)[O-])C2CC2)C1 ZINC000828704548 605229541 /nfs/dbraw/zinc/22/95/41/605229541.db2.gz LCLGXYOMWYXCOB-SECBINFHSA-N -1 0 300.315 -0.218 20 0 DBADRM CCS(=O)(=O)NCC(=O)NCC[C@H]1CCCN(C(=O)[O-])C1 ZINC000827476077 605230915 /nfs/dbraw/zinc/23/09/15/605230915.db2.gz SQZZGCRMULLDBU-SNVBAGLBSA-N -1 0 321.399 -0.178 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000827476067 605230976 /nfs/dbraw/zinc/23/09/76/605230976.db2.gz SMSYMHVCHNWIMM-JTQLQIEISA-N -1 0 321.399 -0.226 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CCN(C(=O)[O-])[C@H](C)C2)C1 ZINC000828704193 605233297 /nfs/dbraw/zinc/23/32/97/605233297.db2.gz IZJHEPBFOZVBPP-MRVPVSSYSA-N -1 0 300.315 -0.169 20 0 DBADRM CCCNC(=O)CNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000826925129 605242341 /nfs/dbraw/zinc/24/23/41/605242341.db2.gz BXBFIKSOWLNLOR-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)Oc1ccc(C(=O)NCC(N)=O)cc1 ZINC000827547926 605244115 /nfs/dbraw/zinc/24/41/15/605244115.db2.gz MMEJUPRJZYHBDZ-JTQLQIEISA-N -1 0 323.305 -0.147 20 0 DBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)N[C@H]1CCS(=O)(=O)C1 ZINC000831514924 605244767 /nfs/dbraw/zinc/24/47/67/605244767.db2.gz ZTYOKWNITIUWKH-VHSXEESVSA-N -1 0 320.367 -0.551 20 0 DBADRM COc1c(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cccc1C(N)=O ZINC000833726914 605249416 /nfs/dbraw/zinc/24/94/16/605249416.db2.gz KQQSRTCEHVTFQX-SSDOTTSWSA-N -1 0 323.305 -0.431 20 0 DBADRM CC(=O)NCCCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000823580324 605255937 /nfs/dbraw/zinc/25/59/37/605255937.db2.gz RSPUEFSJRYCMES-LLVKDONJSA-N -1 0 301.343 -0.212 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NC[C@H](CO)Cc2ccco2)C1 ZINC000831615799 605259093 /nfs/dbraw/zinc/25/90/93/605259093.db2.gz FOGHUVNCWKMVNW-PWSUYJOCSA-N -1 0 312.322 -0.074 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NC[C@@H](CO)Cc2ccco2)C1 ZINC000831615797 605259445 /nfs/dbraw/zinc/25/94/45/605259445.db2.gz FOGHUVNCWKMVNW-CMPLNLGQSA-N -1 0 312.322 -0.074 20 0 DBADRM C[C@H](CC(=O)NCCS(N)(=O)=O)C1CCN(C(=O)[O-])CC1 ZINC000824657416 605265205 /nfs/dbraw/zinc/26/52/05/605265205.db2.gz XZNGAYSEURNYJL-SECBINFHSA-N -1 0 321.399 -0.193 20 0 DBADRM NS(=O)(=O)CCNC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000831244898 605266802 /nfs/dbraw/zinc/26/68/02/605266802.db2.gz DSYCFSGZIQSKLP-UHFFFAOYSA-N -1 0 301.324 -0.424 20 0 DBADRM CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@H](CO)C(=O)[O-])C1 ZINC000833487532 605268337 /nfs/dbraw/zinc/26/83/37/605268337.db2.gz IYIVJHCFIWWJDH-GHMZBOCLSA-N -1 0 315.370 -0.374 20 0 DBADRM CC(C)C[C@H](C(=O)N[C@H](CO)C(=O)[O-])N1CCCCC1=O ZINC000833474130 605268426 /nfs/dbraw/zinc/26/84/26/605268426.db2.gz LWNXCZMKIQHNKT-GHMZBOCLSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC000833438653 605268733 /nfs/dbraw/zinc/26/87/33/605268733.db2.gz PMBSBTZNWQTHKQ-JGVFFNPUSA-N -1 0 320.367 -0.142 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@H](CO)C(=O)[O-])C1 ZINC000833421136 605269031 /nfs/dbraw/zinc/26/90/31/605269031.db2.gz WIHZDOTWEURCCL-NXEZZACHSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC000833438651 605269083 /nfs/dbraw/zinc/26/90/83/605269083.db2.gz PMBSBTZNWQTHKQ-HTQZYQBOSA-N -1 0 320.367 -0.142 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC000833435669 605280289 /nfs/dbraw/zinc/28/02/89/605280289.db2.gz QUZQEWAVQNORAL-IUCAKERBSA-N -1 0 302.327 -0.195 20 0 DBADRM NC(=O)CN1CCN(C(=O)CN(C(=O)[O-])c2ccccc2)CC1 ZINC000831189756 605281685 /nfs/dbraw/zinc/28/16/85/605281685.db2.gz FIVOTQCUPBQBIS-UHFFFAOYSA-N -1 0 320.349 -0.200 20 0 DBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000831997519 605293811 /nfs/dbraw/zinc/29/38/11/605293811.db2.gz NUFBLXCWZQEPJG-SNVBAGLBSA-N -1 0 320.367 -0.598 20 0 DBADRM Nc1ccnc(CNC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000831265299 605294029 /nfs/dbraw/zinc/29/40/29/605294029.db2.gz GLOUPNDUHVDHPU-SECBINFHSA-N -1 0 309.326 -0.166 20 0 DBADRM COC(=O)N1CC(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000828704908 605295743 /nfs/dbraw/zinc/29/57/43/605295743.db2.gz QGGOGOCDFDKBRG-JTQLQIEISA-N -1 0 315.326 -0.288 20 0 DBADRM COC(=O)N1CC(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1 ZINC000828705484 605296944 /nfs/dbraw/zinc/29/69/44/605296944.db2.gz VYCISYYQXQXZFX-SNVBAGLBSA-N -1 0 315.326 -0.288 20 0 DBADRM CC(C)OC[C@H](O)CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O ZINC000824393413 605297149 /nfs/dbraw/zinc/29/71/49/605297149.db2.gz IVSZIAPGSKBQFK-RNCFNFMXSA-N -1 0 315.326 -0.553 20 0 DBADRM Cn1cnnc1CCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000831047018 605297181 /nfs/dbraw/zinc/29/71/81/605297181.db2.gz YDDHTCKLQQIFSE-JTQLQIEISA-N -1 0 311.342 -0.367 20 0 DBADRM CC(=O)NCC(=O)NCc1nc(C[C@H](C)N(C)C(=O)[O-])no1 ZINC000823575559 605299617 /nfs/dbraw/zinc/29/96/17/605299617.db2.gz UDLUTEMYXPVCBE-ZETCQYMHSA-N -1 0 313.314 -0.637 20 0 DBADRM CC[C@H]1C(=O)NCCN1C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000826659805 605299815 /nfs/dbraw/zinc/29/98/15/605299815.db2.gz HCJISEHQTJHGCZ-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H](Cc1noc(-c2cn(CC(N)=O)nn2)n1)N(C)C(=O)[O-] ZINC000825041882 605306934 /nfs/dbraw/zinc/30/69/34/605306934.db2.gz LJEIAVCOYZJBGF-ZCFIWIBFSA-N -1 0 309.286 -0.646 20 0 DBADRM C[C@@H](Cc1noc(-c2cn(CC(N)=O)nn2)n1)N(C)C(=O)[O-] ZINC000825041881 605307062 /nfs/dbraw/zinc/30/70/62/605307062.db2.gz LJEIAVCOYZJBGF-LURJTMIESA-N -1 0 309.286 -0.646 20 0 DBADRM CNC(=O)[C@H]1CCCN(C(=O)CCOC2CN(C(=O)[O-])C2)C1 ZINC000833877656 605308307 /nfs/dbraw/zinc/30/83/07/605308307.db2.gz OAIIBCSENDXTSM-JTQLQIEISA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCCNC(=O)C1CCCC1 ZINC000834042606 605309078 /nfs/dbraw/zinc/30/90/78/605309078.db2.gz ZHCFZPBHYLTWGH-QWRGUYRKSA-N -1 0 314.338 -0.051 20 0 DBADRM CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833867829 605311210 /nfs/dbraw/zinc/31/12/10/605311210.db2.gz YDPSCIUIWLALMK-HTQZYQBOSA-N -1 0 324.341 -0.697 20 0 DBADRM CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833867832 605311226 /nfs/dbraw/zinc/31/12/26/605311226.db2.gz YDPSCIUIWLALMK-YUMQZZPRSA-N -1 0 324.341 -0.697 20 0 DBADRM COCC1(O)CCN(C(=O)CCOC2CN(C(=O)[O-])C2)CC1 ZINC000833882663 605315125 /nfs/dbraw/zinc/31/51/25/605315125.db2.gz UYZQSAXEBLREJV-UHFFFAOYSA-N -1 0 316.354 -0.245 20 0 DBADRM COC[C@](C)(O)CNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000828896754 605317669 /nfs/dbraw/zinc/31/76/69/605317669.db2.gz LRGSGIRCKPJJKB-BXKDBHETSA-N -1 0 306.384 -0.015 20 0 DBADRM Cc1oc(C(=O)N2CCCN2C(=O)[O-])cc1S(N)(=O)=O ZINC000833934816 605318651 /nfs/dbraw/zinc/31/86/51/605318651.db2.gz NKUDREQYICFWOY-UHFFFAOYSA-N -1 0 303.296 -0.024 20 0 DBADRM CS(=O)(=O)NCCOC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000829686487 605325233 /nfs/dbraw/zinc/32/52/33/605325233.db2.gz BTXGZNKBXBPSSY-VIFPVBQESA-N -1 0 324.355 -0.762 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H]1C1CCOCC1 ZINC000834194164 605328011 /nfs/dbraw/zinc/32/80/11/605328011.db2.gz LIKACXNOVUHDIO-NSHDSACASA-N -1 0 313.354 -0.212 20 0 DBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)O[C@H]1CCCNC1=O ZINC000831525369 605328779 /nfs/dbraw/zinc/32/87/79/605328779.db2.gz YUTMTYROBGZKGF-UWVGGRQHSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N(Cc1ccncc1)C1CC1 ZINC000834193393 605335605 /nfs/dbraw/zinc/33/56/05/605335605.db2.gz OYRQBGOQZHBJGT-UHFFFAOYSA-N -1 0 306.322 -0.044 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC1CCC2(CC1)OCCO2 ZINC000834197727 605339189 /nfs/dbraw/zinc/33/91/89/605339189.db2.gz WZFWYSGCVZHHMO-UHFFFAOYSA-N -1 0 315.326 -0.828 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NC[C@H](O)c2cccnc2)C(=O)C1 ZINC000831484120 605339501 /nfs/dbraw/zinc/33/95/01/605339501.db2.gz BYAUDJRCNVNQAY-NSHDSACASA-N -1 0 322.321 -0.947 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1nccn1C(F)F ZINC000834197740 605342623 /nfs/dbraw/zinc/34/26/23/605342623.db2.gz AGLLKETYAGLKPK-UHFFFAOYSA-N -1 0 305.241 -0.722 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1c1ccc(C(=O)NCCO)nn1 ZINC000832580014 605343833 /nfs/dbraw/zinc/34/38/33/605343833.db2.gz YVKLESOEHFZWEC-SECBINFHSA-N -1 0 309.326 -0.565 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccc(F)c(F)c1 ZINC000834196114 605344810 /nfs/dbraw/zinc/34/48/10/605344810.db2.gz JHJNELHZHSHISM-UHFFFAOYSA-N -1 0 301.249 -0.035 20 0 DBADRM CC(C)c1nnc2n1CCN(C(=O)CNC(=O)CNC(=O)[O-])C2 ZINC000833800391 605348007 /nfs/dbraw/zinc/34/80/07/605348007.db2.gz WOPJAGIFVJMSLK-UHFFFAOYSA-N -1 0 324.341 -0.873 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(Cn2cccn2)CC1 ZINC000834192804 605348428 /nfs/dbraw/zinc/34/84/28/605348428.db2.gz KQVVMOSGXRRXCA-UHFFFAOYSA-N -1 0 323.353 -0.495 20 0 DBADRM CC(C)(C)NC(=O)CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O ZINC000823773388 605348509 /nfs/dbraw/zinc/34/85/09/605348509.db2.gz TZJBMBOSIGXBOD-ZDUSSCGKSA-N -1 0 312.326 -0.425 20 0 DBADRM CN(C)c1nc(CNC(=O)CNC(=O)CNC(=O)[O-])cs1 ZINC000833871695 605349451 /nfs/dbraw/zinc/34/94/51/605349451.db2.gz XLXOMVJNHNFSHF-UHFFFAOYSA-N -1 0 315.355 -0.791 20 0 DBADRM O=C(CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O)NCC1CCC1 ZINC000831478699 605349673 /nfs/dbraw/zinc/34/96/73/605349673.db2.gz DOONFDVBKSIIAC-AWEZNQCLSA-N -1 0 324.337 -0.423 20 0 DBADRM Cc1cc(CN2C(=O)N[C@@]3(CCN(C(=O)[O-])C3)C2=O)nn1C ZINC000830035847 605351588 /nfs/dbraw/zinc/35/15/88/605351588.db2.gz GIAISTQPRQOCSA-CYBMUJFWSA-N -1 0 307.310 -0.097 20 0 DBADRM CN(C(=O)CO[C@H]1CCCN(C(=O)[O-])C1)[C@@H]1CCN(C)C1=O ZINC000828465852 605352386 /nfs/dbraw/zinc/35/23/86/605352386.db2.gz IRRCFKNWNCPSIM-WDEREUQCSA-N -1 0 313.354 -0.166 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000834195258 605352697 /nfs/dbraw/zinc/35/26/97/605352697.db2.gz BPXYKFSCDIEHGV-FXAINCCUSA-N -1 0 311.338 -0.556 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCS[C@H]2COCC[C@@H]21 ZINC000834194757 605352905 /nfs/dbraw/zinc/35/29/05/605352905.db2.gz OQTBOJTXAWFDDI-IUCAKERBSA-N -1 0 317.367 -0.897 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NC[C@@H](O)C2CCOCC2)C1 ZINC000831622500 605354073 /nfs/dbraw/zinc/35/40/73/605354073.db2.gz VYNVCITZTHWTMW-GHMZBOCLSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])NC1(CNc2ccc(C(=O)NCCO)nn2)CCC1 ZINC000834154620 605362439 /nfs/dbraw/zinc/36/24/39/605362439.db2.gz DAVYHYPMPBHTCD-UHFFFAOYSA-N -1 0 309.326 -0.199 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000825509054 605365330 /nfs/dbraw/zinc/36/53/30/605365330.db2.gz MDUTWOYNEMUSDP-VGMNWLOBSA-N -1 0 307.372 -0.429 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@H]1OCCc2ccccc21 ZINC000834195925 605369734 /nfs/dbraw/zinc/36/97/34/605369734.db2.gz FWEUJAJELFGKCZ-LBPRGKRZSA-N -1 0 321.333 -0.200 20 0 DBADRM CN(C)c1nc(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])ns1 ZINC000828077022 605373420 /nfs/dbraw/zinc/37/34/20/605373420.db2.gz IPANKWLVDVTJHS-RNFRBKRXSA-N -1 0 316.339 -0.240 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)N[C@H](CNC(=O)[O-])C2CC2)cn1 ZINC000833948260 605373506 /nfs/dbraw/zinc/37/35/06/605373506.db2.gz XFKGJJAIKIXGJR-MNOVXSKESA-N -1 0 311.342 -0.201 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000834195200 605374645 /nfs/dbraw/zinc/37/46/45/605374645.db2.gz SAYQFZLGZMXHPN-WDEREUQCSA-N -1 0 313.354 -0.355 20 0 DBADRM Cc1cc(C(=O)COC(=O)CNC(=O)CNC(=O)[O-])c(C)[nH]1 ZINC000833898818 605381287 /nfs/dbraw/zinc/38/12/87/605381287.db2.gz KUHBZJUYNQZPJL-UHFFFAOYSA-N -1 0 311.294 -0.259 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NC[C@H](O)COCC2CC2)C1 ZINC000831622660 605381627 /nfs/dbraw/zinc/38/16/27/605381627.db2.gz ZPNCGDBRXZDHNR-QWRGUYRKSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C(C[C@@H]1NC(=O)NC1=O)NCC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000834013202 605382888 /nfs/dbraw/zinc/38/28/88/605382888.db2.gz UVPSHTODVFMCMU-IUCAKERBSA-N -1 0 312.326 -0.519 20 0 DBADRM Cn1c(COC(=O)CNC(=O)CNC(=O)[O-])nnc1C1CC1 ZINC000833942591 605383497 /nfs/dbraw/zinc/38/34/97/605383497.db2.gz YICNJDUTCJCTPQ-UHFFFAOYSA-N -1 0 311.298 -0.881 20 0 DBADRM CN1CCC[C@@H](NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C1=O ZINC000828481194 605383994 /nfs/dbraw/zinc/38/39/94/605383994.db2.gz MVEZURGWDBJFNO-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)O[C@@H]1Cc2ccccc2C1=O ZINC000834198623 605384755 /nfs/dbraw/zinc/38/47/55/605384755.db2.gz LGSYLBBTAYGWEA-SNVBAGLBSA-N -1 0 306.274 -0.279 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OCc1nnsc1Cl ZINC000834199755 605385657 /nfs/dbraw/zinc/38/56/57/605385657.db2.gz LNMLJBTZIJDWGF-UHFFFAOYSA-N -1 0 308.703 -0.382 20 0 DBADRM O=C([O-])NCCCNC(=O)N1CCC2(COC(=O)N2)CC1 ZINC000834238523 605385966 /nfs/dbraw/zinc/38/59/66/605385966.db2.gz SXNSLQHVRMYQHL-UHFFFAOYSA-N -1 0 300.315 -0.072 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(c2cn[nH]c2)CC1 ZINC000834192994 605386394 /nfs/dbraw/zinc/38/63/94/605386394.db2.gz MOHWOZLQZQFQNR-UHFFFAOYSA-N -1 0 309.326 -0.501 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000834197522 605393193 /nfs/dbraw/zinc/39/31/93/605393193.db2.gz UYXXEMCWTLRYGQ-NSHDSACASA-N -1 0 309.322 -0.910 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCC(OCCCO)CC1 ZINC000831283380 605393900 /nfs/dbraw/zinc/39/39/00/605393900.db2.gz MVBSLASGHGBGLF-GFCCVEGCSA-N -1 0 316.354 -0.245 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000833983226 605399861 /nfs/dbraw/zinc/39/98/61/605399861.db2.gz FQVQWWLFEUTVMZ-QMMMGPOBSA-N -1 0 319.281 -0.888 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000834198085 605400434 /nfs/dbraw/zinc/40/04/34/605400434.db2.gz BGJUAEYRRWIJBG-UHFFFAOYSA-N -1 0 306.278 -0.748 20 0 DBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NC[C@@H]1CCCO1 ZINC000833894304 605401102 /nfs/dbraw/zinc/40/11/02/605401102.db2.gz JZCGNAQNIZGBDP-DTWKUNHWSA-N -1 0 308.356 -0.648 20 0 DBADRM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)NCCn1ncnn1 ZINC000831708089 605401769 /nfs/dbraw/zinc/40/17/69/605401769.db2.gz DCBQFCCKVSCZDZ-GFCCVEGCSA-N -1 0 316.321 -0.106 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](C)CCNC(=O)[O-] ZINC000833877627 605402391 /nfs/dbraw/zinc/40/23/91/605402391.db2.gz AKOXKDMGBAZOMF-MRVPVSSYSA-N -1 0 311.360 -0.638 20 0 DBADRM O=C([O-])N1CC[C@@H](CNC(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000834026554 605403403 /nfs/dbraw/zinc/40/34/03/605403403.db2.gz JLQKZWJREWIQMH-VHSXEESVSA-N -1 0 319.383 -0.137 20 0 DBADRM O=C([O-])N1CC[C@H](CNC(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834040340 605409774 /nfs/dbraw/zinc/40/97/74/605409774.db2.gz BMBXAXATFBEXBO-SECBINFHSA-N -1 0 324.341 -0.561 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000823761265 605411068 /nfs/dbraw/zinc/41/10/68/605411068.db2.gz YXNDEEVQIRGFGO-BDAKNGLRSA-N -1 0 321.399 -0.181 20 0 DBADRM C[C@@H]1OCC[C@@]1(C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000235459163 605411387 /nfs/dbraw/zinc/41/13/87/605411387.db2.gz ZSGBPWSRSBFYHN-GZMMTYOYSA-N -1 0 303.340 -0.187 20 0 DBADRM Cn1cnn(CC(=O)NCC2(C)CCN(C(=O)[O-])CC2)c1=O ZINC000833956234 605412630 /nfs/dbraw/zinc/41/26/30/605412630.db2.gz JKVLHKVPBUHXHG-UHFFFAOYSA-N -1 0 311.342 -0.522 20 0 DBADRM COCCN(CCNC(=O)N[C@@H]1CCN(C)C1=O)C(=O)[O-] ZINC000833885990 605413977 /nfs/dbraw/zinc/41/39/77/605413977.db2.gz NBLWDKLTSYNIJF-SECBINFHSA-N -1 0 302.331 -0.857 20 0 DBADRM C[C@@H]1CN(C(=O)CNC(=O)[O-])CCN1c1nccn2cnnc12 ZINC000825983606 605416038 /nfs/dbraw/zinc/41/60/38/605416038.db2.gz LTLIOGRLHOUFII-SECBINFHSA-N -1 0 319.325 -0.571 20 0 DBADRM O=C([O-])N1CCN(C(=O)NC[C@H]2CCCCS2(=O)=O)CC1 ZINC000834112726 605419010 /nfs/dbraw/zinc/41/90/10/605419010.db2.gz CUVDHNRDJIIVQW-SNVBAGLBSA-N -1 0 319.383 -0.041 20 0 DBADRM COC(=O)CCCS(=O)(=O)NC[C@H]1CCN(C(=O)[O-])C1 ZINC000833878955 605427038 /nfs/dbraw/zinc/42/70/38/605427038.db2.gz KFGCURUGDQNFEH-SECBINFHSA-N -1 0 308.356 -0.141 20 0 DBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCSC1 ZINC000833895030 605434149 /nfs/dbraw/zinc/43/41/49/605434149.db2.gz PVKKUZSQAHOACJ-JGVFFNPUSA-N -1 0 310.397 -0.321 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCSC1 ZINC000833895032 605434269 /nfs/dbraw/zinc/43/42/69/605434269.db2.gz PVKKUZSQAHOACJ-SFYZADRCSA-N -1 0 310.397 -0.321 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)OC[C@H]1CCS(=O)(=O)C1 ZINC000833986397 605434919 /nfs/dbraw/zinc/43/49/19/605434919.db2.gz AGUILIKMVQTCPO-ZJUUUORDSA-N -1 0 321.351 -0.267 20 0 DBADRM NC(=O)CN1CCN(C(=O)CC[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000833985495 605435514 /nfs/dbraw/zinc/43/55/14/605435514.db2.gz QEWWHIYEUYCEBV-NSHDSACASA-N -1 0 312.370 -0.604 20 0 DBADRM C[C@]1(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-])CCCO1 ZINC000833824219 605435996 /nfs/dbraw/zinc/43/59/96/605435996.db2.gz VCMWXDFHBRKDMP-BXKDBHETSA-N -1 0 322.383 -0.257 20 0 DBADRM CC(C)(CC(=O)N1CCC(C(=O)NCCO)CC1)NC(=O)[O-] ZINC000823877474 605437802 /nfs/dbraw/zinc/43/78/02/605437802.db2.gz ZREAGONDWNUSCK-UHFFFAOYSA-N -1 0 315.370 -0.230 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000833947909 605437714 /nfs/dbraw/zinc/43/77/14/605437714.db2.gz VVVQGERDWPPZPB-MNOVXSKESA-N -1 0 312.326 -0.661 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000833947914 605437727 /nfs/dbraw/zinc/43/77/27/605437727.db2.gz VVVQGERDWPPZPB-WDEREUQCSA-N -1 0 312.326 -0.661 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@H](OCCO)C2)C1 ZINC000832049501 605438776 /nfs/dbraw/zinc/43/87/76/605438776.db2.gz GFXNMTUBTASYGC-QWRGUYRKSA-N -1 0 302.327 -0.635 20 0 DBADRM COCCN(CC(=O)N1CCC[C@H](OCCO)C1)C(=O)[O-] ZINC000828971326 605439979 /nfs/dbraw/zinc/43/99/79/605439979.db2.gz VNNJGRJQTJLIQA-NSHDSACASA-N -1 0 304.343 -0.387 20 0 DBADRM Cc1ccc(C(N)=O)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833905001 605440491 /nfs/dbraw/zinc/44/04/91/605440491.db2.gz NDARGZRTMJEDHR-SECBINFHSA-N -1 0 308.294 -0.456 20 0 DBADRM CC(=O)NCc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000090262882 605441134 /nfs/dbraw/zinc/44/11/34/605441134.db2.gz DKEPITKPWFJISD-NSHDSACASA-N -1 0 316.335 -0.954 20 0 DBADRM O=C([O-])N1CCSC[C@H]1CC(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000831400444 605442206 /nfs/dbraw/zinc/44/22/06/605442206.db2.gz CKODSJDDLYIDKV-BBBLOLIVSA-N -1 0 304.368 -0.574 20 0 DBADRM O=C([O-])N1CCSC[C@@H]1CC(=O)NCCn1ncnn1 ZINC000831413942 605445763 /nfs/dbraw/zinc/44/57/63/605445763.db2.gz HVHDZCIMTMECAH-QMMMGPOBSA-N -1 0 300.344 -0.725 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000829731468 605446745 /nfs/dbraw/zinc/44/67/45/605446745.db2.gz RAOQBLOFOPFBRN-RNFRBKRXSA-N -1 0 303.340 -0.703 20 0 DBADRM O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCO[C@@H](CO)C1 ZINC000831402642 605446851 /nfs/dbraw/zinc/44/68/51/605446851.db2.gz NMSQCYLFHYWDSP-VHSXEESVSA-N -1 0 304.368 -0.308 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000829731471 605446977 /nfs/dbraw/zinc/44/69/77/605446977.db2.gz RAOQBLOFOPFBRN-RQJHMYQMSA-N -1 0 303.340 -0.703 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000833955939 605447766 /nfs/dbraw/zinc/44/77/66/605447766.db2.gz FZFNKBVDTYOUGE-UWVGGRQHSA-N -1 0 309.326 -0.143 20 0 DBADRM CC(C)(C)n1cnc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC000819940615 605451013 /nfs/dbraw/zinc/45/10/13/605451013.db2.gz VFTHQVBZVZILSQ-QMMMGPOBSA-N -1 0 309.326 -0.095 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)CN1CCOCC1)C(=O)[O-] ZINC000833483240 605455961 /nfs/dbraw/zinc/45/59/61/605455961.db2.gz WOLOXKGQFRRWIH-NSHDSACASA-N -1 0 316.354 -0.523 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)N1CCCS(=O)(=O)CC1 ZINC000834024209 605456529 /nfs/dbraw/zinc/45/65/29/605456529.db2.gz BLBCYLBOLZXYFE-SNVBAGLBSA-N -1 0 319.383 -0.041 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)CC[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833986015 605467167 /nfs/dbraw/zinc/46/71/67/605467167.db2.gz FAEFYHGDJRHHFK-VHSXEESVSA-N -1 0 319.383 -0.202 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC000833392478 605467755 /nfs/dbraw/zinc/46/77/55/605467755.db2.gz UGQNHFJQMCXTQV-STQMWFEESA-N -1 0 306.318 -0.479 20 0 DBADRM CC(C)(C)C(=O)Nc1nccnc1C(=O)NC[C@H](O)C(=O)[O-] ZINC000833422096 605468879 /nfs/dbraw/zinc/46/88/79/605468879.db2.gz WLUMHFTWIXBAIA-ZETCQYMHSA-N -1 0 310.310 -0.364 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000833983843 605472773 /nfs/dbraw/zinc/47/27/73/605472773.db2.gz KRGIUKVCOFSZDA-ZCFIWIBFSA-N -1 0 323.231 -0.105 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000833860427 605478954 /nfs/dbraw/zinc/47/89/54/605478954.db2.gz VWGWMGTYJYFYAT-WPRPVWTQSA-N -1 0 316.358 -0.964 20 0 DBADRM O=C([O-])NCCNC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000832642040 605495713 /nfs/dbraw/zinc/49/57/13/605495713.db2.gz SXMJCQMOYBPBET-UHFFFAOYSA-N -1 0 318.293 -0.410 20 0 DBADRM CC(C)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)C(N)=O ZINC000833792758 605496113 /nfs/dbraw/zinc/49/61/13/605496113.db2.gz NOXRGAJUEQWRIF-ZJUUUORDSA-N -1 0 316.358 -0.979 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CCN(c2ccc(C(=O)NCCO)nn2)C1 ZINC000833818585 605498698 /nfs/dbraw/zinc/49/86/98/605498698.db2.gz QDCIMUOODMVAAR-ZJUUUORDSA-N -1 0 323.353 -0.319 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN(C)CCN(C)C(=O)[O-])C1=O ZINC000833881369 605502756 /nfs/dbraw/zinc/50/27/56/605502756.db2.gz AVTYAARWLLJNQP-GFCCVEGCSA-N -1 0 302.331 -0.558 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN(C)CCN(C)C(=O)[O-])C1=O ZINC000833881370 605502993 /nfs/dbraw/zinc/50/29/93/605502993.db2.gz AVTYAARWLLJNQP-LBPRGKRZSA-N -1 0 302.331 -0.558 20 0 DBADRM C[C@H](CC(=O)c1ccco1)NC(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833802929 605503754 /nfs/dbraw/zinc/50/37/54/605503754.db2.gz XEQWTVPVPPEBDD-SFYZADRCSA-N -1 0 311.294 -0.131 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N(C)CCN(C)C(=O)[O-] ZINC000833879849 605509444 /nfs/dbraw/zinc/50/94/44/605509444.db2.gz QZHHUYRSZBRMAQ-UHFFFAOYSA-N -1 0 311.360 -0.732 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)O[C@@H]1CCN(C)C1=O ZINC000833798016 605514476 /nfs/dbraw/zinc/51/44/76/605514476.db2.gz YYBSXPOBHKFZGY-SCZZXKLOSA-N -1 0 315.326 -0.831 20 0 DBADRM CC(C)C[C@H](NC(=O)CN=c1ncnc2[nH][nH]cc1-2)C(=O)[O-] ZINC000833491115 605515912 /nfs/dbraw/zinc/51/59/12/605515912.db2.gz FBSMFHJLIVEEQD-VIFPVBQESA-N -1 0 306.326 -0.246 20 0 DBADRM CC(=O)N[C@@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)C(C)C ZINC000316280985 605533272 /nfs/dbraw/zinc/53/32/72/605533272.db2.gz XRLKNUVEDNZNNK-LLVKDONJSA-N -1 0 309.326 -0.480 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3ccc4nnnn4c3)C2)nn1 ZINC000833783993 605537574 /nfs/dbraw/zinc/53/75/74/605537574.db2.gz SVBHUDDWTYQXOM-UHFFFAOYSA-N -1 0 314.265 -0.889 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1S(=O)(=O)N1CCOCC1 ZINC000825845645 605538910 /nfs/dbraw/zinc/53/89/10/605538910.db2.gz QJNXDNZVJPEDGA-NXEZZACHSA-N -1 0 307.372 -0.316 20 0 DBADRM CNC(=O)C1(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CCC1 ZINC000780319358 605539218 /nfs/dbraw/zinc/53/92/18/605539218.db2.gz QOZCQNGPHNFYIJ-UHFFFAOYSA-N -1 0 307.310 -0.724 20 0 DBADRM C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000780315053 605541038 /nfs/dbraw/zinc/54/10/38/605541038.db2.gz NDRHGBJUBPAMQQ-KOLCDFICSA-N -1 0 324.337 -0.056 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCSC[C@@H]2CCO)C1 ZINC000834070209 605543278 /nfs/dbraw/zinc/54/32/78/605543278.db2.gz QOMGVUDHCHHWHU-VIFPVBQESA-N -1 0 304.368 -0.308 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCSC[C@H]2CCO)C1 ZINC000834117670 605543856 /nfs/dbraw/zinc/54/38/56/605543856.db2.gz SONWOYMFOQHAGW-ZJUUUORDSA-N -1 0 304.368 -0.308 20 0 DBADRM O=C([O-])N(CC(=O)N1CCOC[C@@H]1CCO)C[C@@H]1CCCO1 ZINC000834069876 605545129 /nfs/dbraw/zinc/54/51/29/605545129.db2.gz ZIGLUGZAMUEMEX-RYUDHWBXSA-N -1 0 316.354 -0.245 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000828964304 605545878 /nfs/dbraw/zinc/54/58/78/605545878.db2.gz RQQCMSCENFOVIN-VHSXEESVSA-N -1 0 309.388 -0.070 20 0 DBADRM O=C([O-])NC1CCN(CC(=O)N2CCOC[C@H]2CCO)CC1 ZINC000834181013 605546233 /nfs/dbraw/zinc/54/62/33/605546233.db2.gz COJGHRBFLPBDIY-GFCCVEGCSA-N -1 0 315.370 -0.672 20 0 DBADRM O=C([O-])NC1(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CCCCC1 ZINC000834152794 605546905 /nfs/dbraw/zinc/54/69/05/605546905.db2.gz XSCKWSMEPKSROO-VIFPVBQESA-N -1 0 324.337 -0.281 20 0 DBADRM COCC1(O)CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000833881410 605547965 /nfs/dbraw/zinc/54/79/65/605547965.db2.gz BOVQCNSQFSVUNT-UHFFFAOYSA-N -1 0 302.327 -0.635 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)OCCN1CCCS1(=O)=O ZINC000824888279 605549475 /nfs/dbraw/zinc/54/94/75/605549475.db2.gz IZJFLMRDLXOLLB-VIFPVBQESA-N -1 0 308.356 -0.189 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000833863331 605554674 /nfs/dbraw/zinc/55/46/74/605554674.db2.gz JTNPVNMMFILAIO-SNVBAGLBSA-N -1 0 322.383 -0.352 20 0 DBADRM O=C([O-])N1CC(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000834020539 605560683 /nfs/dbraw/zinc/56/06/83/605560683.db2.gz XOINHWFLDKZHAK-NSHDSACASA-N -1 0 311.338 -0.508 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1cnc(C(=O)OC)cn1 ZINC000833721688 605569082 /nfs/dbraw/zinc/56/90/82/605569082.db2.gz DVBAASVEUBYBBE-CYBMUJFWSA-N -1 0 311.294 -0.127 20 0 DBADRM O=C([O-])N1CC(C(=O)NC[C@H]2COC3(CCOCC3)O2)C1 ZINC000834039074 605569176 /nfs/dbraw/zinc/56/91/76/605569176.db2.gz WTXUKJWRBSQPNR-JTQLQIEISA-N -1 0 300.311 -0.366 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)[C@H]2CSCN2C(=O)[O-])cn1 ZINC000833947475 605569720 /nfs/dbraw/zinc/56/97/20/605569720.db2.gz SJJBLBWFVOENFO-DTWKUNHWSA-N -1 0 300.340 -0.377 20 0 DBADRM O=C([O-])N1CCC(CC(=O)N2CCN(C(=O)CO)CC2)CC1 ZINC000834075889 605572265 /nfs/dbraw/zinc/57/22/65/605572265.db2.gz USHGKKFSHLFQRG-UHFFFAOYSA-N -1 0 313.354 -0.570 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC3(COC(=O)N3)CC2)C1 ZINC000834290171 605576281 /nfs/dbraw/zinc/57/62/81/605576281.db2.gz PZFFKEKXWAPZEK-VIFPVBQESA-N -1 0 313.310 -0.534 20 0 DBADRM CC(C)(C(=O)NCCOCCO)N1CCN(C(=O)[O-])CC1 ZINC000823743407 605581172 /nfs/dbraw/zinc/58/11/72/605581172.db2.gz FFCHNRRIMRGIAW-UHFFFAOYSA-N -1 0 303.359 -0.814 20 0 DBADRM O=C(CNC(=O)C[C@H]1CSCCN1C(=O)[O-])NC1CC1 ZINC000831408301 605583867 /nfs/dbraw/zinc/58/38/67/605583867.db2.gz MCGUYXQSBYKHJA-VIFPVBQESA-N -1 0 301.368 -0.133 20 0 DBADRM Nc1nsc(N2CCN(C(=O)NCCNC(=O)[O-])CC2)n1 ZINC000831265843 605595318 /nfs/dbraw/zinc/59/53/18/605595318.db2.gz UYNBPRGFKPYZPZ-UHFFFAOYSA-N -1 0 315.359 -0.781 20 0 DBADRM CN(CC(C)(CO)CO)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833692660 605608222 /nfs/dbraw/zinc/60/82/22/605608222.db2.gz USVKYGSYURXWMT-UHFFFAOYSA-N -1 0 318.351 -0.609 20 0 DBADRM CC(C)CN(CC(N)=O)C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000824250779 605612415 /nfs/dbraw/zinc/61/24/15/605612415.db2.gz AJLCXFYSQDLTME-UHFFFAOYSA-N -1 0 314.386 -0.312 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000167693019 605612953 /nfs/dbraw/zinc/61/29/53/605612953.db2.gz FFDUYPFBUBBPFZ-MWLCHTKSSA-N -1 0 306.384 -0.270 20 0 DBADRM NC(=O)c1[nH]nc2ccc(NC(=O)COCCNC(=O)[O-])cc21 ZINC000833986122 605618693 /nfs/dbraw/zinc/61/86/93/605618693.db2.gz IOXGZPPRNXFLTF-UHFFFAOYSA-N -1 0 321.293 -0.116 20 0 DBADRM CS(=O)(=O)CCNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000829673010 605619878 /nfs/dbraw/zinc/61/98/78/605619878.db2.gz HHRMXQFUIHAMFR-QMMMGPOBSA-N -1 0 310.397 -0.367 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000739388041 605623297 /nfs/dbraw/zinc/62/32/97/605623297.db2.gz PYMYQNYNTTXEAG-DTWKUNHWSA-N -1 0 305.356 -0.385 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NC[C@H](CO)Cc1ccco1 ZINC000831616277 605624388 /nfs/dbraw/zinc/62/43/88/605624388.db2.gz RRMDDDFURAJNFB-JFGNBEQYSA-N -1 0 312.322 -0.340 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000828670783 605628317 /nfs/dbraw/zinc/62/83/17/605628317.db2.gz KESRNDRCZUQXAP-VIFPVBQESA-N -1 0 323.371 -0.542 20 0 DBADRM O=C([O-])N[C@H](CC(=O)NN1CC(=O)NC1=O)c1ccccc1 ZINC000834126312 605628977 /nfs/dbraw/zinc/62/89/77/605628977.db2.gz KHKYKPKDJAAJDT-SECBINFHSA-N -1 0 306.278 -0.032 20 0 DBADRM Cn1cccc(NC(=O)C(=O)NC[C@H]2CCN(C(=O)[O-])C2)c1=O ZINC000833953238 605634207 /nfs/dbraw/zinc/63/42/07/605634207.db2.gz UEXVHNVXLYGQSW-SECBINFHSA-N -1 0 322.321 -0.560 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000825778381 605638654 /nfs/dbraw/zinc/63/86/54/605638654.db2.gz MIJJTSBSHKENKZ-DTWKUNHWSA-N -1 0 301.368 -0.181 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)OCCN1CCOCC1=O ZINC000834137554 605641859 /nfs/dbraw/zinc/64/18/59/605641859.db2.gz LXXCBMZPYYXLAF-SSDOTTSWSA-N -1 0 310.253 -0.320 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)OCCN2CCOCC2=O)C1 ZINC000834085574 605642925 /nfs/dbraw/zinc/64/29/25/605642925.db2.gz RPBSSFPIXQWNHS-LBPRGKRZSA-N -1 0 304.274 -0.520 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CNC(=O)[O-])[C@H](C(=O)OC)C1 ZINC000833711017 605648245 /nfs/dbraw/zinc/64/82/45/605648245.db2.gz RLLCROGDBQDLQO-YUMQZZPRSA-N -1 0 302.283 -0.793 20 0 DBADRM O=C([O-])NCCC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000834228074 605650435 /nfs/dbraw/zinc/65/04/35/605650435.db2.gz YZPWDTFQYJTXFE-UHFFFAOYSA-N -1 0 321.380 -0.200 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000737220222 605650471 /nfs/dbraw/zinc/65/04/71/605650471.db2.gz KNKJTHWNFSWYKC-VIFPVBQESA-N -1 0 307.372 -0.137 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN(C)C(=O)OC ZINC000833708268 605651721 /nfs/dbraw/zinc/65/17/21/605651721.db2.gz PRCNLJBAKMLUQX-IUCAKERBSA-N -1 0 316.310 -0.451 20 0 DBADRM CS(=O)(=O)CCCNC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000829672360 605657183 /nfs/dbraw/zinc/65/71/83/605657183.db2.gz ALHPCKBHTNMNPB-UHFFFAOYSA-N -1 0 321.399 -0.731 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NCC1(CO)COC1 ZINC000833793231 605658565 /nfs/dbraw/zinc/65/85/65/605658565.db2.gz DCAWANDANOKOGM-JTQLQIEISA-N -1 0 303.359 -0.023 20 0 DBADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NCC1(CO)COC1)C2 ZINC000834021147 605659023 /nfs/dbraw/zinc/65/90/23/605659023.db2.gz FUCSRIUGAXBAQR-FGWVZKOKSA-N -1 0 313.354 -0.032 20 0 DBADRM O=C([O-])N1CC[C@H](CCNC(=O)NCC2(CO)COC2)C1 ZINC000834037625 605659064 /nfs/dbraw/zinc/65/90/64/605659064.db2.gz LPOCYMCBIMAZBU-JTQLQIEISA-N -1 0 301.343 -0.316 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NCC1(CO)COC1 ZINC000834213531 605659789 /nfs/dbraw/zinc/65/97/89/605659789.db2.gz YMLFSWSBGPCBOC-UWVGGRQHSA-N -1 0 301.343 -0.269 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCOc1ncccc1F ZINC000834041941 605662552 /nfs/dbraw/zinc/66/25/52/605662552.db2.gz CGWOMMHTNWANNH-SCZZXKLOSA-N -1 0 313.285 -0.171 20 0 DBADRM O=C([O-])N1CCSC[C@@H]1CC(=O)NCC1(CO)COC1 ZINC000833988998 605662806 /nfs/dbraw/zinc/66/28/06/605662806.db2.gz RXQPNKHJSXFLOU-VIFPVBQESA-N -1 0 304.368 -0.403 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000739160045 605664844 /nfs/dbraw/zinc/66/48/44/605664844.db2.gz LPRUSQYTCKLUHK-IUCAKERBSA-N -1 0 300.315 -0.976 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(NC(N)=O)c1 ZINC000833983859 605666908 /nfs/dbraw/zinc/66/69/08/605666908.db2.gz KXEYPFCMMZWYIQ-MRVPVSSYSA-N -1 0 309.282 -0.373 20 0 DBADRM NC(=O)[C@H]1COCCN1C(=O)CCCCCCNC(=O)[O-] ZINC000833980026 605669070 /nfs/dbraw/zinc/66/90/70/605669070.db2.gz JEBNJRZTWDJBEY-SNVBAGLBSA-N -1 0 301.343 -0.083 20 0 DBADRM C[S@](=O)c1cccc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])c1 ZINC000833893305 605669136 /nfs/dbraw/zinc/66/91/36/605669136.db2.gz MIUJURVRDWEHNR-BTKVJGODSA-N -1 0 313.335 -0.126 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000833983236 605670064 /nfs/dbraw/zinc/67/00/64/605670064.db2.gz FWWLLYCTOCPIFT-SECBINFHSA-N -1 0 318.293 -0.078 20 0 DBADRM Cn1nc2c(c1NC(=O)C(=O)N[C@@H]1CCN(C(=O)[O-])C1)CCC2 ZINC000833957029 605682269 /nfs/dbraw/zinc/68/22/69/605682269.db2.gz IOAXJGJAPXMPPQ-MRVPVSSYSA-N -1 0 321.337 -0.284 20 0 DBADRM CCNC(=O)NC(=O)CN1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC000833658237 605686571 /nfs/dbraw/zinc/68/65/71/605686571.db2.gz YCHHOOQPNGLJFH-DTWKUNHWSA-N -1 0 315.326 -0.830 20 0 DBADRM O=C([O-])N1CCC(n2cccc2C(=O)NC(CO)CO)CC1 ZINC000834014075 605688160 /nfs/dbraw/zinc/68/81/60/605688160.db2.gz GMIXMSXNOOZXMC-UHFFFAOYSA-N -1 0 311.338 -0.114 20 0 DBADRM O=C([O-])NC1CCN(CC(=O)NCC(=O)OCC2CC2)CC1 ZINC000832382118 605689175 /nfs/dbraw/zinc/68/91/75/605689175.db2.gz QXIWXRNWANQLIO-UHFFFAOYSA-N -1 0 313.354 -0.212 20 0 DBADRM Cn1cnn(CC(=O)NCC2(NC(=O)[O-])CCCCC2)c1=O ZINC000833957754 605690059 /nfs/dbraw/zinc/69/00/59/605690059.db2.gz XQJKPYUBSKPYAG-UHFFFAOYSA-N -1 0 311.342 -0.332 20 0 DBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000833840291 605696709 /nfs/dbraw/zinc/69/67/09/605696709.db2.gz JSGHEVNZERRBMA-CYBMUJFWSA-N -1 0 314.342 -0.272 20 0 DBADRM O=C([O-])N1CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC000833785898 605698691 /nfs/dbraw/zinc/69/86/91/605698691.db2.gz DIZUHRWVPCWSQP-UHFFFAOYSA-N -1 0 306.278 -0.152 20 0 DBADRM Cn1cc(-c2nc([C@H]3COCCN3C(=O)[O-])no2)c(=O)[nH]c1=O ZINC000833943254 605710224 /nfs/dbraw/zinc/71/02/24/605710224.db2.gz GEKRZYLPKYHLRF-SSDOTTSWSA-N -1 0 323.265 -0.413 20 0 DBADRM COC(=O)C[C@H]1CCCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828656513 605717843 /nfs/dbraw/zinc/71/78/43/605717843.db2.gz SSUCZDNGPHMMOF-NXEZZACHSA-N -1 0 300.311 -0.081 20 0 DBADRM NC(=O)N1CC[C@H](NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000831199374 605718750 /nfs/dbraw/zinc/71/87/50/605718750.db2.gz AOTWAUJQPICBTJ-UWVGGRQHSA-N -1 0 314.342 -0.585 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000739186534 605720616 /nfs/dbraw/zinc/72/06/16/605720616.db2.gz BXBMKQWLNWLSPU-UWVGGRQHSA-N -1 0 319.383 -0.043 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N[C@H](CO)CC(F)(F)F ZINC000834017003 605723573 /nfs/dbraw/zinc/72/35/73/605723573.db2.gz YNXUISVEUHIKJW-RRKCRQDMSA-N -1 0 300.233 -0.471 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N[C@H](CO)CC(F)(F)F)C1 ZINC000834015543 605723575 /nfs/dbraw/zinc/72/35/75/605723575.db2.gz QZAGJNKFRREXCW-BQBZGAKWSA-N -1 0 300.233 -0.205 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NCC1CN(C(=O)[O-])C1 ZINC000833870830 605726039 /nfs/dbraw/zinc/72/60/39/605726039.db2.gz VCQXLJZUZXSNPO-UHFFFAOYSA-N -1 0 307.372 -0.459 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNc1cnn(CC(=O)NCCO)c1 ZINC000834011906 605728931 /nfs/dbraw/zinc/72/89/31/605728931.db2.gz COXPTADETMTSIO-NSHDSACASA-N -1 0 311.342 -0.454 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000823837632 605732078 /nfs/dbraw/zinc/73/20/78/605732078.db2.gz CTHJINKURFOVSK-RKDXNWHRSA-N -1 0 321.399 -0.052 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000825818520 605733709 /nfs/dbraw/zinc/73/37/09/605733709.db2.gz YWVNISRODGWLRJ-RKDXNWHRSA-N -1 0 310.310 -0.404 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000834035202 605734178 /nfs/dbraw/zinc/73/41/78/605734178.db2.gz JSZOFYHBHJXRIQ-VXGBXAGGSA-N -1 0 312.370 -0.241 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CN(C)S(C)(=O)=O ZINC000825810194 605739621 /nfs/dbraw/zinc/73/96/21/605739621.db2.gz SXKHWOVNSULBSV-IUCAKERBSA-N -1 0 307.372 -0.475 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCC1(CO)CCOCC1 ZINC000834021877 605743312 /nfs/dbraw/zinc/74/33/12/605743312.db2.gz LLCZVOSFWAFXJG-VHSXEESVSA-N -1 0 302.327 -0.995 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCOCC23CCC3)C(=O)C1 ZINC000834112884 605745573 /nfs/dbraw/zinc/74/55/73/605745573.db2.gz HXRIBGYPZIVUSY-UHFFFAOYSA-N -1 0 311.338 -0.410 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000834011118 605747503 /nfs/dbraw/zinc/74/75/03/605747503.db2.gz RRGKAYXIAXGOGE-IINYFYTJSA-N -1 0 314.338 -0.181 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000833982670 605750014 /nfs/dbraw/zinc/75/00/14/605750014.db2.gz BUEMDFMBUIMPQW-QMMMGPOBSA-N -1 0 309.282 -0.373 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NCC2(CO)CCOCC2)C1 ZINC000834021828 605751264 /nfs/dbraw/zinc/75/12/64/605751264.db2.gz KUEQQBQSENVOKA-JTQLQIEISA-N -1 0 301.343 -0.173 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)[C@H](CC(N)=O)NC(=O)[O-])c1 ZINC000833876150 605751496 /nfs/dbraw/zinc/75/14/96/605751496.db2.gz AQJYUAZZZJJMMW-JTQLQIEISA-N -1 0 322.321 -0.826 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)[C@@H](CC(N)=O)NC(=O)[O-])c1 ZINC000833876151 605751529 /nfs/dbraw/zinc/75/15/29/605751529.db2.gz AQJYUAZZZJJMMW-SNVBAGLBSA-N -1 0 322.321 -0.826 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000833983592 605752374 /nfs/dbraw/zinc/75/23/74/605752374.db2.gz JATUKTWDKWJORO-VIFPVBQESA-N -1 0 318.293 -0.283 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000833983566 605755258 /nfs/dbraw/zinc/75/52/58/605755258.db2.gz IRMNASCQOAYOOC-VIFPVBQESA-N -1 0 306.278 -0.620 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1nccn1C(F)F ZINC000833983110 605755681 /nfs/dbraw/zinc/75/56/81/605755681.db2.gz RHDRLHVYJPVAIR-RXMQYKEDSA-N -1 0 305.241 -0.594 20 0 DBADRM Cn1c2cc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])ccc2oc1=O ZINC000833940812 605755881 /nfs/dbraw/zinc/75/58/81/605755881.db2.gz SBPZIVPQZJWVCO-ZETCQYMHSA-N -1 0 322.277 -0.418 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1cccc2c1OCCO2 ZINC000833983077 605756823 /nfs/dbraw/zinc/75/68/23/605756823.db2.gz QWDBMYJXJQOFMY-VIFPVBQESA-N -1 0 323.305 -0.414 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc2c(c1)CCO2 ZINC000833982251 605756855 /nfs/dbraw/zinc/75/68/55/605756855.db2.gz JFIJQMLFGFXAJS-SNVBAGLBSA-N -1 0 307.306 -0.251 20 0 DBADRM Cc1noc2ncc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])cc12 ZINC000833933350 605759817 /nfs/dbraw/zinc/75/98/17/605759817.db2.gz HIDYRGGOOPKJAW-QMMMGPOBSA-N -1 0 307.266 -0.019 20 0 DBADRM Cc1noc(C)c1C[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833926896 605759854 /nfs/dbraw/zinc/75/98/54/605759854.db2.gz ADWUPKWDQGTXMM-QUBYGPBYSA-N -1 0 312.326 -0.150 20 0 DBADRM Cc1nc2n(c1C)CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])C2 ZINC000833916853 605759873 /nfs/dbraw/zinc/75/98/73/605759873.db2.gz ZJFCSLBYQPTFJK-SECBINFHSA-N -1 0 309.326 -0.646 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000833981288 605760061 /nfs/dbraw/zinc/76/00/61/605760061.db2.gz TWDHDWBELJEPDJ-MLUIRONXSA-N -1 0 313.232 -0.976 20 0 DBADRM Cc1nc2n(c1C)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])C2 ZINC000833916856 605760173 /nfs/dbraw/zinc/76/01/73/605760173.db2.gz ZJFCSLBYQPTFJK-VIFPVBQESA-N -1 0 309.326 -0.646 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CCC(OCC2CC2)CC1 ZINC000833980621 605760242 /nfs/dbraw/zinc/76/02/42/605760242.db2.gz OEGGJGUJKFUHIB-NSHDSACASA-N -1 0 313.354 -0.084 20 0 DBADRM C[C@]1(CNC(=O)[C@@H](CC(N)=O)NC(=O)[O-])CCCC[C@H]1O ZINC000833823636 605761329 /nfs/dbraw/zinc/76/13/29/605761329.db2.gz IOUODKQSOGPFAY-JRKPZEMJSA-N -1 0 301.343 -0.445 20 0 DBADRM C[C@]1(CNC(=O)[C@H](CC(N)=O)NC(=O)[O-])CCCC[C@@H]1O ZINC000833823637 605761502 /nfs/dbraw/zinc/76/15/02/605761502.db2.gz IOUODKQSOGPFAY-MWODSPESSA-N -1 0 301.343 -0.445 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CC[C@H](Oc2ccccn2)C1 ZINC000833979088 605761831 /nfs/dbraw/zinc/76/18/31/605761831.db2.gz BZECOXJOQCXZLC-VHSXEESVSA-N -1 0 322.321 -0.427 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN1CCOCC1 ZINC000833705457 605769553 /nfs/dbraw/zinc/76/95/53/605769553.db2.gz KFMKGYWRZAPQGO-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)NC(=O)[O-])CC1 ZINC000828542696 605770006 /nfs/dbraw/zinc/77/00/06/605770006.db2.gz NCIMNTDDZVFSAE-NSHDSACASA-N -1 0 314.386 -0.441 20 0 DBADRM O=C([O-])NC1CCN(CC(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000832382087 605776324 /nfs/dbraw/zinc/77/63/24/605776324.db2.gz PXAJDGDFKDEMAZ-NSHDSACASA-N -1 0 322.369 -0.039 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N(CCO)Cc2cccnc2)C1 ZINC000834069511 605777270 /nfs/dbraw/zinc/77/72/70/605777270.db2.gz BEAISALTWKIADF-UHFFFAOYSA-N -1 0 309.322 -0.219 20 0 DBADRM O=C(CCc1nc(-c2nc[nH]n2)no1)NCC1CN(C(=O)[O-])C1 ZINC000834001101 605782209 /nfs/dbraw/zinc/78/22/09/605782209.db2.gz NEGGLPIHNSEXJW-UHFFFAOYSA-N -1 0 321.297 -0.487 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000833807690 605788247 /nfs/dbraw/zinc/78/82/47/605788247.db2.gz LTTKXTKDDAWGEQ-DTWKUNHWSA-N -1 0 307.372 -0.376 20 0 DBADRM Cn1nnnc1CCNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000833960064 605791870 /nfs/dbraw/zinc/79/18/70/605791870.db2.gz GCJWVDMOFSATRZ-VIFPVBQESA-N -1 0 311.346 -0.558 20 0 DBADRM CS(=O)(=O)NCCC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000829687120 605793257 /nfs/dbraw/zinc/79/32/57/605793257.db2.gz IJSVNLHOWDYIET-JTQLQIEISA-N -1 0 319.383 -0.331 20 0 DBADRM Cn1nnnc1CCNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000833961055 605793393 /nfs/dbraw/zinc/79/33/93/605793393.db2.gz PHHCBRZWAPRNPW-DTWKUNHWSA-N -1 0 311.346 -0.512 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NN1CCc2ccccc2C1=O ZINC000834199229 605793797 /nfs/dbraw/zinc/79/37/97/605793797.db2.gz VFVXBASBYDYIFW-UHFFFAOYSA-N -1 0 320.305 -0.900 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)OCc1nncn1C ZINC000833797988 605796225 /nfs/dbraw/zinc/79/62/25/605796225.db2.gz WCEBJCIRUKPFFG-JTQLQIEISA-N -1 0 313.314 -0.733 20 0 DBADRM COCCc1cc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])n(C)n1 ZINC000829024110 605803818 /nfs/dbraw/zinc/80/38/18/605803818.db2.gz KBOSCGPMCNLFIS-VHSXEESVSA-N -1 0 312.326 -0.339 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CC(=O)N2CCN(C)CC2)CCO1 ZINC000833820720 605805022 /nfs/dbraw/zinc/80/50/22/605805022.db2.gz SJSAGJVMWNYNKH-RYUDHWBXSA-N -1 0 314.386 -0.883 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CCCOC(=O)NC(N)=O)CCO1 ZINC000833820857 605805035 /nfs/dbraw/zinc/80/50/35/605805035.db2.gz UYBHHIOJIAXUCV-BDAKNGLRSA-N -1 0 318.330 -0.462 20 0 DBADRM C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)CC(=O)[O-] ZINC000819883083 605807415 /nfs/dbraw/zinc/80/74/15/605807415.db2.gz NENXAIMPFARTMB-QMMMGPOBSA-N -1 0 315.351 -0.323 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000825172168 605807529 /nfs/dbraw/zinc/80/75/29/605807529.db2.gz QVBSXQLOCJAOIP-VIFPVBQESA-N -1 0 301.343 -0.620 20 0 DBADRM CS[C@H](CO)[C@H](C)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829711118 605809648 /nfs/dbraw/zinc/80/96/48/605809648.db2.gz SHPFRNQSFVXCMM-IVZWLZJFSA-N -1 0 306.384 -0.016 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)NC[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834148794 605810248 /nfs/dbraw/zinc/81/02/48/605810248.db2.gz XRKYRTYQCCFFLE-WPRPVWTQSA-N -1 0 319.383 -0.234 20 0 DBADRM COC(=O)CCNC(=O)CN1C[C@@H](C)N(C(=O)[O-])C[C@@H]1C ZINC000833879276 605814354 /nfs/dbraw/zinc/81/43/54/605814354.db2.gz NWFGEKVLATXFAW-VHSXEESVSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@]1(CCO)CCOC1 ZINC000833807114 605823574 /nfs/dbraw/zinc/82/35/74/605823574.db2.gz HSGQENWETMSRJS-GWCFXTLKSA-N -1 0 303.359 -0.022 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000833807129 605826990 /nfs/dbraw/zinc/82/69/90/605826990.db2.gz RQXIXETZOUHPQL-ZETCQYMHSA-N -1 0 320.305 -0.150 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000825840061 605836854 /nfs/dbraw/zinc/83/68/54/605836854.db2.gz XJBRWAFBQRTRAO-YUMQZZPRSA-N -1 0 310.310 -0.253 20 0 DBADRM NC(=O)CONC(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000833985576 605846619 /nfs/dbraw/zinc/84/66/19/605846619.db2.gz RSHYVUXDYYFHAE-UHFFFAOYSA-N -1 0 310.310 -0.050 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000834041334 605852190 /nfs/dbraw/zinc/85/21/90/605852190.db2.gz IUNLWDLNUDDPOU-QMMMGPOBSA-N -1 0 313.339 -0.691 20 0 DBADRM Cn1cnn(Cc2nc([C@H]3COCCN3C(=O)[O-])no2)c1=O ZINC000833955416 605856324 /nfs/dbraw/zinc/85/63/24/605856324.db2.gz BDKYZZLHXKVDCQ-SSDOTTSWSA-N -1 0 310.270 -0.936 20 0 DBADRM C[C@]1(C(=O)OCc2nc(N)nc(N)n2)CCCN(C(=O)[O-])C1 ZINC000833823212 605857613 /nfs/dbraw/zinc/85/76/13/605857613.db2.gz XALIKKJKTMNHOE-LBPRGKRZSA-N -1 0 310.314 -0.141 20 0 DBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NCCN1CCNC(=O)C1 ZINC000833840992 605859779 /nfs/dbraw/zinc/85/97/79/605859779.db2.gz NXHCHKKMTNRHKA-CYBMUJFWSA-N -1 0 300.359 -0.782 20 0 DBADRM O=C([O-])N1CCC2(C[C@H]2C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000834289897 605860762 /nfs/dbraw/zinc/86/07/62/605860762.db2.gz QRLAPTXDKOWJBM-NSHDSACASA-N -1 0 324.381 -0.686 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000834192789 605862271 /nfs/dbraw/zinc/86/22/71/605862271.db2.gz BFKRVJFKHFCPPT-SSDOTTSWSA-N -1 0 309.269 -0.400 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)CNC(=O)c1ccncc1)C1CC1 ZINC000834140027 605862900 /nfs/dbraw/zinc/86/29/00/605862900.db2.gz KRYQCEPTYOEUDH-LLVKDONJSA-N -1 0 306.322 -0.026 20 0 DBADRM CN(CCNS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-] ZINC000833871822 605867818 /nfs/dbraw/zinc/86/78/18/605867818.db2.gz AUQQDRNORIIWMW-VIFPVBQESA-N -1 0 318.355 -0.267 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)c1cc(C(=O)[O-])no1 ZINC000833502588 605870053 /nfs/dbraw/zinc/87/00/53/605870053.db2.gz UUPMUCOMINVOBK-UHFFFAOYSA-N -1 0 305.312 -0.570 20 0 DBADRM Cn1cnc(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c1 ZINC000831041678 605875103 /nfs/dbraw/zinc/87/51/03/605875103.db2.gz XNFQZULOQSFYMF-SNVBAGLBSA-N -1 0 323.353 -0.344 20 0 DBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2CCO[C@@H](CO)C2)C1 ZINC000831997730 605877441 /nfs/dbraw/zinc/87/74/41/605877441.db2.gz PJTVGVNSQMKONS-WDEREUQCSA-N -1 0 302.327 -0.635 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000833950548 605878910 /nfs/dbraw/zinc/87/89/10/605878910.db2.gz IFYOEMSOYDDRHV-CYBMUJFWSA-N -1 0 313.285 -0.201 20 0 DBADRM CCCN(C(=O)CS(=O)(=O)NC)C1CCN(C(=O)[O-])CC1 ZINC000826862798 605882326 /nfs/dbraw/zinc/88/23/26/605882326.db2.gz PKRNALYNSMWUIR-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM NS(=O)(=O)CCNC(=O)[C@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833987321 605884474 /nfs/dbraw/zinc/88/44/74/605884474.db2.gz YVKNPBYWQWVQER-MRVPVSSYSA-N -1 0 305.356 -0.829 20 0 DBADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O ZINC000834162420 605887951 /nfs/dbraw/zinc/88/79/51/605887951.db2.gz VYPOIZRNBCPZTC-UPBARMNASA-N -1 0 324.337 -0.236 20 0 DBADRM Cc1nnc(COC(=O)CN2CCN(C(=O)[O-])CC2=O)s1 ZINC000833928115 605888831 /nfs/dbraw/zinc/88/88/31/605888831.db2.gz WKALSQJHPBHNIM-UHFFFAOYSA-N -1 0 314.323 -0.288 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)CCCCNC(=O)[O-])C1 ZINC000833985964 605893064 /nfs/dbraw/zinc/89/30/64/605893064.db2.gz CKRIWXUOMZPTMJ-VIFPVBQESA-N -1 0 307.372 -0.296 20 0 DBADRM C[C@H](CCNC(=O)c1ccnc2c(C(N)=O)cnn21)NC(=O)[O-] ZINC000833805328 605908914 /nfs/dbraw/zinc/90/89/14/605908914.db2.gz OMLUZLGDFQJQCY-SSDOTTSWSA-N -1 0 320.309 -0.396 20 0 DBADRM CCN(CCCNC(=O)N1CCO[C@H](C(=O)NC)C1)C(=O)[O-] ZINC000833858885 605910791 /nfs/dbraw/zinc/91/07/91/605910791.db2.gz TZPMBBZEGYLLHW-JTQLQIEISA-N -1 0 316.358 -0.467 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NC[C@@H](C)CNC(=O)[O-])CCO1 ZINC000833878431 605910812 /nfs/dbraw/zinc/91/08/12/605910812.db2.gz RZHGKFMPAZQQOA-BDAKNGLRSA-N -1 0 302.331 -0.954 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NCCCN(C)C(=O)[O-])CCO1 ZINC000833877516 605910833 /nfs/dbraw/zinc/91/08/33/605910833.db2.gz NLIGNEPOLYWFDZ-VIFPVBQESA-N -1 0 302.331 -0.857 20 0 DBADRM NC(=O)COCCNC(=O)[C@@H]1c2ccccc2CCN1C(=O)[O-] ZINC000833985835 605912359 /nfs/dbraw/zinc/91/23/59/605912359.db2.gz YKSYEYKUHMTDOX-ZDUSSCGKSA-N -1 0 321.333 -0.118 20 0 DBADRM NC(=O)COCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[O-] ZINC000833985783 605912399 /nfs/dbraw/zinc/91/23/99/605912399.db2.gz WATURLWIHTZRNM-VWYCJHECSA-N -1 0 313.354 -0.084 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@H](NC(=O)[O-])C2)C1 ZINC000738542353 605914655 /nfs/dbraw/zinc/91/46/55/605914655.db2.gz PLWYRNBKPPJDCR-NEPJUHHUSA-N -1 0 312.370 -0.545 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)Cc1nc2ncccn2n1)C1CC1 ZINC000834140441 605914783 /nfs/dbraw/zinc/91/47/83/605914783.db2.gz RLJHHSIHMISPEQ-SECBINFHSA-N -1 0 304.310 -0.171 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)CCN1CCCS1(=O)=O)C1CC1 ZINC000834142166 605914863 /nfs/dbraw/zinc/91/48/63/605914863.db2.gz YWAYYZPJNAQXHU-JTQLQIEISA-N -1 0 319.383 -0.426 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)N[C@H](C)CCNC(=O)[O-])CCO1 ZINC000833876737 605916596 /nfs/dbraw/zinc/91/65/96/605916596.db2.gz ISJIVAPRGHGEPB-RKDXNWHRSA-N -1 0 302.331 -0.811 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCN(C(=O)[O-])CC1 ZINC000833897099 605919749 /nfs/dbraw/zinc/91/97/49/605919749.db2.gz DZFPNSHFOAWOBZ-UHFFFAOYSA-N -1 0 322.321 -0.546 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)[O-])ccc1=O ZINC000833949146 605920485 /nfs/dbraw/zinc/92/04/85/605920485.db2.gz GSEIXULMHQONNI-JTQLQIEISA-N -1 0 322.321 -0.418 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCN(C(=O)[O-])CC2)ccc1=O ZINC000833951914 605920490 /nfs/dbraw/zinc/92/04/90/605920490.db2.gz XKLBDYAMXJAMHX-UHFFFAOYSA-N -1 0 308.294 -0.854 20 0 DBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)NCCCO)cc2C1 ZINC000834039095 605922872 /nfs/dbraw/zinc/92/28/72/605922872.db2.gz PNSHZYLCHQQCRB-UHFFFAOYSA-N -1 0 322.321 -0.445 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@H](NC(=O)[O-])C2CC2)ccc1=O ZINC000833951964 605923825 /nfs/dbraw/zinc/92/38/25/605923825.db2.gz YXXFJUNVDDKAAS-JTQLQIEISA-N -1 0 322.321 -0.514 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000834070386 605928559 /nfs/dbraw/zinc/92/85/59/605928559.db2.gz XKYILTDZQMMYEO-LLVKDONJSA-N -1 0 323.353 -0.105 20 0 DBADRM O=C([O-])N1CCc2ncc(NC(=O)NC[C@H](O)CO)cc2C1 ZINC000834017856 605928702 /nfs/dbraw/zinc/92/87/02/605928702.db2.gz DVRFDFLELBLMEA-JTQLQIEISA-N -1 0 310.310 -0.408 20 0 DBADRM O=C([O-])N1CCc2ncc(NC(=O)NC[C@@H](O)CO)cc2C1 ZINC000834017858 605928834 /nfs/dbraw/zinc/92/88/34/605928834.db2.gz DVRFDFLELBLMEA-SNVBAGLBSA-N -1 0 310.310 -0.408 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)C2(CNC(=O)[O-])CCCC2)CCO1 ZINC000833877055 605929482 /nfs/dbraw/zinc/92/94/82/605929482.db2.gz KMHAOGMLMNLGFI-JTQLQIEISA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCN3C(=O)OCC[C@@H]3C2)C1 ZINC000834117200 605929594 /nfs/dbraw/zinc/92/95/94/605929594.db2.gz QERBLEJVVORCEN-ZJUUUORDSA-N -1 0 313.310 -0.582 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)CCO1 ZINC000833879382 605929884 /nfs/dbraw/zinc/92/98/84/605929884.db2.gz YBVODODQGCFAFX-AXFHLTTASA-N -1 0 313.354 -0.214 20 0 DBADRM CN(C)c1cccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000833871554 605934811 /nfs/dbraw/zinc/93/48/11/605934811.db2.gz SEUHBZBWKMJQFX-UHFFFAOYSA-N -1 0 321.337 -0.092 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@@H](NC(=O)[O-])C(C)(C)C)CCO1 ZINC000833875703 605935446 /nfs/dbraw/zinc/93/54/46/605935446.db2.gz ZUUXQQUGJXJBCN-DTWKUNHWSA-N -1 0 301.343 -0.358 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@@H](NC(=O)[O-])c2ccccc2)CCO1 ZINC000833875254 605935909 /nfs/dbraw/zinc/93/59/09/605935909.db2.gz MGMPJSTYLJDEPV-RYUDHWBXSA-N -1 0 321.333 -0.031 20 0 DBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2cnn(CC(F)F)c2)C1 ZINC000834058958 605941465 /nfs/dbraw/zinc/94/14/65/605941465.db2.gz QEANQTWQCOTPDH-UHFFFAOYSA-N -1 0 317.252 -0.435 20 0 DBADRM O=C([O-])NC1(CC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CCC1 ZINC000834153855 605941577 /nfs/dbraw/zinc/94/15/77/605941577.db2.gz CELQYUKZXVHEPI-MRVPVSSYSA-N -1 0 310.310 -0.671 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC000834162973 605941620 /nfs/dbraw/zinc/94/16/20/605941620.db2.gz HZIQYTFLKLBOIE-DJLDLDEBSA-N -1 0 310.310 -0.815 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000834287920 605942387 /nfs/dbraw/zinc/94/23/87/605942387.db2.gz BDVWJYUVIFJIDF-RKDXNWHRSA-N -1 0 310.310 -0.719 20 0 DBADRM O=C([O-])N1CC[C@@H](CCC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC000834289086 605942447 /nfs/dbraw/zinc/94/24/47/605942447.db2.gz JPPZTGRGEUFSCH-NXEZZACHSA-N -1 0 324.337 -0.471 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](NC(=O)[O-])C2)o1 ZINC000740340065 605948930 /nfs/dbraw/zinc/94/89/30/605948930.db2.gz GHQVBQSMUPRUDS-LURJTMIESA-N -1 0 303.296 -0.591 20 0 DBADRM Cn1c(=O)ccn(CC(=O)O[C@H]2CCCN(C(=O)[O-])C2)c1=O ZINC000740276056 605956911 /nfs/dbraw/zinc/95/69/11/605956911.db2.gz ZEOVZFPDALAOKO-VIFPVBQESA-N -1 0 311.294 -0.767 20 0 DBADRM COC(=O)CCN1CCN(C(=O)CN(C)C(=O)[O-])[C@@H](C)C1 ZINC000833877666 605956923 /nfs/dbraw/zinc/95/69/23/605956923.db2.gz BCUPIHXROUBTCL-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC(n3ccnn3)CC2)C1 ZINC000834116505 605963079 /nfs/dbraw/zinc/96/30/79/605963079.db2.gz LNCOMKMSDNPVNE-NSHDSACASA-N -1 0 309.326 -0.180 20 0 DBADRM O=C([O-])NCCOCC(=O)Nn1cc(Br)cn1 ZINC000834242003 605966125 /nfs/dbraw/zinc/96/61/25/605966125.db2.gz CHKNSRJQZYGAIO-UHFFFAOYSA-N -1 0 307.104 0.000 20 0 DBADRM Cn1cc(N2CCN(C(=O)CN(C(=O)[O-])C3CC3)CC2=O)cn1 ZINC000833949969 605970497 /nfs/dbraw/zinc/97/04/97/605970497.db2.gz MEAXRHKDTYEQDZ-UHFFFAOYSA-N -1 0 321.337 -0.262 20 0 DBADRM O=C([O-])N1CC[C@H](CCC(=O)N2CCN(C(=O)CO)CC2)C1 ZINC000834077887 605971162 /nfs/dbraw/zinc/97/11/62/605971162.db2.gz ZLODTVWIWWXHAC-NSHDSACASA-N -1 0 313.354 -0.570 20 0 DBADRM O=C([O-])N1CC[C@@H](CCC(=O)N2CCN(C(=O)CO)CC2)C1 ZINC000834077886 605971382 /nfs/dbraw/zinc/97/13/82/605971382.db2.gz ZLODTVWIWWXHAC-LLVKDONJSA-N -1 0 313.354 -0.570 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000834243619 605972653 /nfs/dbraw/zinc/97/26/53/605972653.db2.gz YRQGDPUWTYIDIW-WDEREUQCSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])N1CCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000834112911 605973742 /nfs/dbraw/zinc/97/37/42/605973742.db2.gz IOWCFURHAUBKPN-SECBINFHSA-N -1 0 305.356 -0.431 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N[C@H](CO)C2CCOCC2)C1 ZINC000834017388 605981432 /nfs/dbraw/zinc/98/14/32/605981432.db2.gz ZTUXKLOUCPKXDN-MNOVXSKESA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N[C@@H](CO)C2CCOCC2)C1 ZINC000834017394 605981626 /nfs/dbraw/zinc/98/16/26/605981626.db2.gz ZTUXKLOUCPKXDN-WDEREUQCSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C1CC1 ZINC000834141492 605991270 /nfs/dbraw/zinc/99/12/70/605991270.db2.gz CTVPMZTXJSKDDP-ONGXEEELSA-N -1 0 321.337 -0.075 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C1CC1 ZINC000834141482 605991496 /nfs/dbraw/zinc/99/14/96/605991496.db2.gz CTVPMZTXJSKDDP-KOLCDFICSA-N -1 0 321.337 -0.075 20 0 DBADRM O=C([O-])NCCOCC(=O)N[C@@H]1CN(c2ccccc2)C1=O ZINC000834242704 605991501 /nfs/dbraw/zinc/99/15/01/605991501.db2.gz OPEZEISQCMXKRF-LLVKDONJSA-N -1 0 307.306 -0.198 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCC(NC(=O)C3CC3)CC2)C1 ZINC000834159129 605994104 /nfs/dbraw/zinc/99/41/04/605994104.db2.gz XNSCWKVKAWQWFQ-LBPRGKRZSA-N -1 0 324.381 -0.197 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCC[C@H]2Cn2cncn2)C1 ZINC000834157174 605995654 /nfs/dbraw/zinc/99/56/54/605995654.db2.gz HOECAJMZHAVZDB-QWRGUYRKSA-N -1 0 308.342 -0.432 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000834279467 606000645 /nfs/dbraw/zinc/00/06/45/606000645.db2.gz KLEONWYTYBGNIS-ZCFIWIBFSA-N -1 0 300.296 -0.517 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)NCC(=O)NCC(F)(F)F)cn1 ZINC000834280792 606001777 /nfs/dbraw/zinc/00/17/77/606001777.db2.gz VHTJLDNYILAKAX-UHFFFAOYSA-N -1 0 321.215 -0.025 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCN(C(=O)[O-])[C@@H](C)[C@@H]1C ZINC000833883694 606014350 /nfs/dbraw/zinc/01/43/50/606014350.db2.gz PUFGWSJTUJDIEB-UWVGGRQHSA-N -1 0 309.388 -0.118 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCN(C(=O)[O-])[C@H](C)[C@@H]1C ZINC000833883696 606014584 /nfs/dbraw/zinc/01/45/84/606014584.db2.gz PUFGWSJTUJDIEB-ZJUUUORDSA-N -1 0 309.388 -0.118 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)[C@]2(O)CCSC2)CC1 ZINC000834113512 606015854 /nfs/dbraw/zinc/01/58/54/606015854.db2.gz YBOJJUDEQQHLCK-LBPRGKRZSA-N -1 0 303.384 -0.734 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)NCC(=O)N1CCOCC1)C1CC1 ZINC000834206404 606016412 /nfs/dbraw/zinc/01/64/12/606016412.db2.gz QJTXKPFRUPYKST-SNVBAGLBSA-N -1 0 314.342 -0.809 20 0 DBADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)NC(CO)CO ZINC000834161553 606016773 /nfs/dbraw/zinc/01/67/73/606016773.db2.gz TZCZDJJXQNSRHU-GJYTXDDASA-N -1 0 315.370 -0.146 20 0 DBADRM COCCN(CC(=O)N(C)C[C@@H]1CCN(C(C)=O)C1)C(=O)[O-] ZINC000833883832 606020504 /nfs/dbraw/zinc/02/05/04/606020504.db2.gz URGXHAYWUHZJGM-LBPRGKRZSA-N -1 0 315.370 -0.060 20 0 DBADRM O=C([O-])N(CCCNC(=O)NC[C@@]1(O)CCOC1)C1CC1 ZINC000834039714 606025076 /nfs/dbraw/zinc/02/50/76/606025076.db2.gz GZIIUYADNWWIAF-ZDUSSCGKSA-N -1 0 301.343 -0.031 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)cn1 ZINC000834262972 606028838 /nfs/dbraw/zinc/02/88/38/606028838.db2.gz OYEAGCVZYYNKCT-ZDUSSCGKSA-N -1 0 324.293 -0.622 20 0 DBADRM O=C([O-])N1CCSC[C@H]1CC(=O)NC[C@@]1(O)CCOC1 ZINC000833989620 606034702 /nfs/dbraw/zinc/03/47/02/606034702.db2.gz YMOAJTHJYIJIBD-SKDRFNHKSA-N -1 0 304.368 -0.261 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000833980667 606037106 /nfs/dbraw/zinc/03/71/06/606037106.db2.gz PJDQSKSSWFMRBB-MNOVXSKESA-N -1 0 313.354 -0.227 20 0 DBADRM C[C@H]1[C@H](C)N(C(=O)[O-])CCN1Cc1cc(=O)n(C)c(=O)n1C ZINC000833826330 606038793 /nfs/dbraw/zinc/03/87/93/606038793.db2.gz GNUURBHIWLNYBN-UWVGGRQHSA-N -1 0 310.354 -0.343 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000834129644 606045855 /nfs/dbraw/zinc/04/58/55/606045855.db2.gz BPLJVCVSEFHEKB-BQBZGAKWSA-N -1 0 314.310 -0.029 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)cn1 ZINC000834275989 606055839 /nfs/dbraw/zinc/05/58/39/606055839.db2.gz UCOBHABERKMAGD-MRVPVSSYSA-N -1 0 319.277 -0.414 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833837684 606057044 /nfs/dbraw/zinc/05/70/44/606057044.db2.gz KAWGSJKHJHDFSR-ZETCQYMHSA-N -1 0 314.323 -0.174 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)cn1 ZINC000834279606 606061473 /nfs/dbraw/zinc/06/14/73/606061473.db2.gz OCUDDDMVLQKPES-ZETCQYMHSA-N -1 0 307.266 -0.157 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)c2cnc(NC(=O)[O-])cn2)cn1 ZINC000833948844 606062879 /nfs/dbraw/zinc/06/28/79/606062879.db2.gz ZMJTTXWVADLFCY-SECBINFHSA-N -1 0 306.282 -0.237 20 0 DBADRM O=C(C[C@H]1CSCCN1C(=O)[O-])NN1CCCNC1=O ZINC000833989636 606064192 /nfs/dbraw/zinc/06/41/92/606064192.db2.gz YSQMQRHTPFQKFQ-QMMMGPOBSA-N -1 0 302.356 -0.082 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])NN1CCCNC1=O ZINC000834007174 606064997 /nfs/dbraw/zinc/06/49/97/606064997.db2.gz RXYACUAROMPPMC-VIFPVBQESA-N -1 0 300.315 -0.408 20 0 DBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NN1CCCNC1=O ZINC000834011220 606065112 /nfs/dbraw/zinc/06/51/12/606065112.db2.gz SVUPTQSVTBGCCD-SECBINFHSA-N -1 0 300.315 -0.408 20 0 DBADRM O=C([O-])N1CC[C@@H](CNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000834031621 606073104 /nfs/dbraw/zinc/07/31/04/606073104.db2.gz YPJVGZPZRYOXIQ-IUCAKERBSA-N -1 0 305.356 -0.527 20 0 DBADRM O=C([O-])NC1(CNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC000834155381 606073937 /nfs/dbraw/zinc/07/39/37/606073937.db2.gz SDXKQXCKBBUTBP-MRVPVSSYSA-N -1 0 305.356 -0.337 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000834133329 606078657 /nfs/dbraw/zinc/07/86/57/606078657.db2.gz OSOPARRSHONDRW-RKDXNWHRSA-N -1 0 306.313 -0.606 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000833877761 606078916 /nfs/dbraw/zinc/07/89/16/606078916.db2.gz CGJPPWWUMDANDY-SECBINFHSA-N -1 0 316.310 -0.401 20 0 DBADRM Cc1nnc2n1CCN(C(=O)CCOC1CN(C(=O)[O-])C1)C2 ZINC000833927207 606084624 /nfs/dbraw/zinc/08/46/24/606084624.db2.gz MTAFNLUWROTUGM-UHFFFAOYSA-N -1 0 309.326 -0.302 20 0 DBADRM O=C([O-])NCCNC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000834243987 606086105 /nfs/dbraw/zinc/08/61/05/606086105.db2.gz YVJLGZCVBUJXJQ-VIFPVBQESA-N -1 0 303.315 -0.525 20 0 DBADRM NC(=O)c1csc(NC(=O)CCOC2CN(C(=O)[O-])C2)n1 ZINC000833986281 606086569 /nfs/dbraw/zinc/08/65/69/606086569.db2.gz NAEJBLAFCJWCNS-UHFFFAOYSA-N -1 0 314.323 -0.051 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000834031818 606086846 /nfs/dbraw/zinc/08/68/46/606086846.db2.gz PKWBXTPUGVVBPX-JTQLQIEISA-N -1 0 320.367 -0.694 20 0 DBADRM O=C([O-])N1CC[C@H](C(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000834029987 606087180 /nfs/dbraw/zinc/08/71/80/606087180.db2.gz FLBVEBHETQEEKY-JTQLQIEISA-N -1 0 304.368 -0.073 20 0 DBADRM NC(=O)[C@H]1CCCC[C@H]1NC(=O)CCOC1CN(C(=O)[O-])C1 ZINC000833979912 606098495 /nfs/dbraw/zinc/09/84/95/606098495.db2.gz FGQTYPLNKAHPQD-WDEREUQCSA-N -1 0 313.354 -0.084 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)[C@H]2CCc3n[nH]cc3C2)CC1 ZINC000834040543 606100753 /nfs/dbraw/zinc/10/07/53/606100753.db2.gz CTENUCPESTVXEF-NSHDSACASA-N -1 0 321.381 -0.074 20 0 DBADRM O=C([O-])NCCCNC(=O)C(=O)Nc1cnc2c(c1)COCC2 ZINC000834238184 606108175 /nfs/dbraw/zinc/10/81/75/606108175.db2.gz OLCCXFFCOQCVTJ-UHFFFAOYSA-N -1 0 322.321 -0.133 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC[C@H]2CCCC2=O)c1=O ZINC000821565031 606328278 /nfs/dbraw/zinc/32/82/78/606328278.db2.gz ALECAQOULQCLAK-SECBINFHSA-N -1 0 318.337 -0.031 20 0 DBADRM C[C@H]1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@@H]1C ZINC000820770217 606417932 /nfs/dbraw/zinc/41/79/32/606417932.db2.gz ZOTYMCNIEJUNAR-YUMQZZPRSA-N -1 0 305.342 -0.644 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821694616 606466907 /nfs/dbraw/zinc/46/69/07/606466907.db2.gz UZNKMRNRAKJDDT-UHFFFAOYSA-N -1 0 317.352 -0.366 20 0 DBADRM O=C(Cc1cccc(-c2nn[nH]n2)c1)NCc1n[nH]c(=O)[n-]1 ZINC000823104392 606600894 /nfs/dbraw/zinc/60/08/94/606600894.db2.gz WAGDBQUUHFTRDS-UHFFFAOYSA-N -1 0 300.282 -0.451 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC[C@@H]2CCOC2=O)c1=O ZINC000821565247 606627414 /nfs/dbraw/zinc/62/74/14/606627414.db2.gz KPBKUXRRKUNZHB-MRVPVSSYSA-N -1 0 320.309 -0.837 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)[O-] ZINC000820276764 606834175 /nfs/dbraw/zinc/83/41/75/606834175.db2.gz YNQUIPWJOXSJGQ-ZETCQYMHSA-N -1 0 311.323 -0.134 20 0 DBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CC(O)C1 ZINC000822004218 607020632 /nfs/dbraw/zinc/02/06/32/607020632.db2.gz CQRKYEIMXACVQJ-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM COc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cn1 ZINC000821831892 607205236 /nfs/dbraw/zinc/20/52/36/607205236.db2.gz RDFQGIKUOXKTSW-UHFFFAOYSA-N -1 0 301.270 -0.500 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCc1cccc(F)c1 ZINC000823131946 607206105 /nfs/dbraw/zinc/20/61/05/607206105.db2.gz RTSGNNZNKSBXQX-UHFFFAOYSA-N -1 0 316.300 -0.044 20 0 DBADRM COc1ncccc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821920717 607208140 /nfs/dbraw/zinc/20/81/40/607208140.db2.gz XJUUIZBIYXCWNM-UHFFFAOYSA-N -1 0 301.270 -0.500 20 0 DBADRM CCOC(=O)CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC000821330744 607210231 /nfs/dbraw/zinc/21/02/31/607210231.db2.gz PVPPIBGMTJTHPA-UHFFFAOYSA-N -1 0 320.313 -0.988 20 0 DBADRM COc1ccc(N(C)C(=O)Cn2cnc(-c3nnn[n-]3)n2)cn1 ZINC000821827455 607211176 /nfs/dbraw/zinc/21/11/76/607211176.db2.gz BJMIZPBYMJODOA-UHFFFAOYSA-N -1 0 315.297 -0.475 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCNc1ccccc1 ZINC000823131979 607218404 /nfs/dbraw/zinc/21/84/04/607218404.db2.gz TWWWIYQKWUOWLL-UHFFFAOYSA-N -1 0 313.325 -0.314 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC1(O)CCCCC1 ZINC000823127274 607219043 /nfs/dbraw/zinc/21/90/43/607219043.db2.gz YLTKWGLGNVTRSN-UHFFFAOYSA-N -1 0 306.330 -0.730 20 0 DBADRM CC[C@H](C)[C@](C)(O)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820859054 607219496 /nfs/dbraw/zinc/21/94/96/607219496.db2.gz AWOUGDYTIPXLCI-QPUJVOFHSA-N -1 0 308.346 -0.629 20 0 DBADRM COC(C)(C)C[C@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821672636 607219643 /nfs/dbraw/zinc/21/96/43/607219643.db2.gz RWWCYELYMCDEPJ-QMMMGPOBSA-N -1 0 308.346 -0.222 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCS1 ZINC000820987899 607219855 /nfs/dbraw/zinc/21/98/55/607219855.db2.gz BXLXMIIICUNZEG-MRVPVSSYSA-N -1 0 308.371 -0.188 20 0 DBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820136680 607220033 /nfs/dbraw/zinc/22/00/33/607220033.db2.gz AHBBYYKFSXRSDU-QMMMGPOBSA-N -1 0 322.329 -0.838 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@@H](C)S1 ZINC000820736327 607220051 /nfs/dbraw/zinc/22/00/51/607220051.db2.gz YSQFFVZJZYJWQG-HTQZYQBOSA-N -1 0 308.371 -0.189 20 0 DBADRM C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000820334759 607223941 /nfs/dbraw/zinc/22/39/41/607223941.db2.gz PQWUKTAUHZHSKH-SSDOTTSWSA-N -1 0 322.329 -0.695 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H](O)C1CCCCC1 ZINC000823126976 607223953 /nfs/dbraw/zinc/22/39/53/607223953.db2.gz PGQZSVJLWKMKBH-SNVBAGLBSA-N -1 0 320.357 -0.484 20 0 DBADRM CCC(CC)[C@@H](O)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820893513 607224455 /nfs/dbraw/zinc/22/44/55/607224455.db2.gz POQUOAWCGOAXHQ-VIFPVBQESA-N -1 0 308.346 -0.629 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccnn1CC1CC1 ZINC000823136374 607224591 /nfs/dbraw/zinc/22/45/91/607224591.db2.gz YEQRYRCQAHRGAO-UHFFFAOYSA-N -1 0 314.313 -0.297 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccc(O)cc1 ZINC000823132076 607226202 /nfs/dbraw/zinc/22/62/02/607226202.db2.gz YMZUOJHOFQJLRF-UHFFFAOYSA-N -1 0 300.282 -0.520 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCc1ccccc1O ZINC000823131982 607230051 /nfs/dbraw/zinc/23/00/51/607230051.db2.gz TZXLDEIUJXPUIU-UHFFFAOYSA-N -1 0 314.309 -0.477 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 ZINC000826362273 607776723 /nfs/dbraw/zinc/77/67/23/607776723.db2.gz LMJUFBBSQSORBD-UHFFFAOYSA-N -1 0 322.310 -0.953 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc(F)cc1O ZINC000826425462 607996564 /nfs/dbraw/zinc/99/65/64/607996564.db2.gz FHTNKSOBCDSKRS-UHFFFAOYSA-N -1 0 304.245 -0.058 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000825897661 608010111 /nfs/dbraw/zinc/01/01/11/608010111.db2.gz KEFBSSHPUODPLK-UHFFFAOYSA-N -1 0 311.323 -0.287 20 0 DBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000826461474 608010866 /nfs/dbraw/zinc/01/08/66/608010866.db2.gz WJFWNJQIXYNOKI-ZETCQYMHSA-N -1 0 324.322 -0.643 20 0 DBADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000824052989 608011056 /nfs/dbraw/zinc/01/10/56/608011056.db2.gz UPIKDWCNKZZZAF-ZCFIWIBFSA-N -1 0 312.311 -0.645 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825915049 608011059 /nfs/dbraw/zinc/01/10/59/608011059.db2.gz TVRHDZNOUVMRQP-UHFFFAOYSA-N -1 0 311.323 -0.038 20 0 DBADRM CC[C@@H](C)C(=O)Cn1c(=O)c(-c2nnn[n-]2)cn(CC)c1=O ZINC000825049530 608022443 /nfs/dbraw/zinc/02/24/43/608022443.db2.gz CATJNFXKVWEJIF-MRVPVSSYSA-N -1 0 306.326 -0.175 20 0 DBADRM CCOC(=O)C[C@H](C)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825499898 608040089 /nfs/dbraw/zinc/04/00/89/608040089.db2.gz XJGXYXCOEXCJEN-QMMMGPOBSA-N -1 0 322.329 -0.836 20 0 DBADRM CCc1nc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)cs1 ZINC000825745464 608096272 /nfs/dbraw/zinc/09/62/72/608096272.db2.gz MOTVJVKTZIXNJI-UHFFFAOYSA-N -1 0 319.350 -0.206 20 0 DBADRM Cc1csc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)n1 ZINC000826320755 608096626 /nfs/dbraw/zinc/09/66/26/608096626.db2.gz CJFRZXOWXYBVPZ-UHFFFAOYSA-N -1 0 305.323 -0.460 20 0 DBADRM O=c1c(-c2nnn[n-]2)cccn1CCN1CCCS1(=O)=O ZINC000826501474 608403588 /nfs/dbraw/zinc/40/35/88/608403588.db2.gz RYALWEZSFXWFLO-UHFFFAOYSA-N -1 0 310.339 -0.936 20 0 DBADRM O=C(CNc1ccc(-c2nn[nH]n2)cc1)OCc1n[nH]c(=O)[n-]1 ZINC000826412965 608445321 /nfs/dbraw/zinc/44/53/21/608445321.db2.gz LEPDXDDEUGWOIZ-UHFFFAOYSA-N -1 0 316.281 -0.154 20 0 DBADRM O=C(Cc1cccc(-c2nn[nH]n2)c1)OCc1n[nH]c(=O)[n-]1 ZINC000826423270 608451626 /nfs/dbraw/zinc/45/16/26/608451626.db2.gz GWDRFRZVUYYNNV-UHFFFAOYSA-N -1 0 301.266 -0.024 20 0 DBADRM COc1cc(O)cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000826181409 609262910 /nfs/dbraw/zinc/26/29/10/609262910.db2.gz YINIIFUXYIQFHO-UHFFFAOYSA-N -1 0 316.281 -0.189 20 0 DBADRM C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1cncc(F)c1 ZINC000824491434 609425877 /nfs/dbraw/zinc/42/58/77/609425877.db2.gz UTFNAHCONVKMTB-SSDOTTSWSA-N -1 0 317.288 -0.130 20 0 DBADRM O=C([N-]N1CN=NC1=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000826461035 609435876 /nfs/dbraw/zinc/43/58/76/609435876.db2.gz CLLRGGZNPNAYMO-UHFFFAOYSA-N -1 0 307.661 -0.404 20 0 DBADRM C/C=C(\C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000976933958 665407181 /nfs/dbraw/zinc/40/71/81/665407181.db2.gz YTZIOFZIMFSHGY-OXFZYVKQSA-N -1 0 321.337 -0.772 20 0 DBADRM CC(=O)N(C)C[C@@H]1CCN1C(=O)c1c[n-]n2c1nccc2=O ZINC000977232899 665450935 /nfs/dbraw/zinc/45/09/35/665450935.db2.gz XMLDHAIAHASFSG-JTQLQIEISA-N -1 0 303.322 -0.285 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001027554919 665496970 /nfs/dbraw/zinc/49/69/70/665496970.db2.gz YZGADNWGCPFSBV-SECBINFHSA-N -1 0 322.369 -0.801 20 0 DBADRM Cc1ocnc1C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000977919688 665506010 /nfs/dbraw/zinc/50/60/10/665506010.db2.gz ZSYJQWHVJSAOFE-OWUUHHOZSA-N -1 0 318.337 -0.085 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)C1CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978067705 665515531 /nfs/dbraw/zinc/51/55/31/665515531.db2.gz CPNQMWFGVDJFCF-QMMMGPOBSA-N -1 0 307.310 -0.634 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000663050124 665515909 /nfs/dbraw/zinc/51/59/09/665515909.db2.gz HVKPSOQJGCCKSE-LDYMZIIASA-N -1 0 308.356 -0.984 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978074231 665517530 /nfs/dbraw/zinc/51/75/30/665517530.db2.gz SARGXJYRWCCWBN-YIZRAAEISA-N -1 0 321.337 -0.388 20 0 DBADRM CCC(=O)N1CC[C@@H]1CN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000978124015 665520530 /nfs/dbraw/zinc/52/05/30/665520530.db2.gz PXEVRFKPOINQLT-SECBINFHSA-N -1 0 308.338 -0.431 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cc[nH]c1 ZINC000978185549 665526901 /nfs/dbraw/zinc/52/69/01/665526901.db2.gz TVNDZAMFGALPDP-RTCCRHLQSA-N -1 0 302.338 -0.054 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2cnon2)c1[O-] ZINC000978246259 665528898 /nfs/dbraw/zinc/52/88/98/665528898.db2.gz WPXHPFBWSRUEFN-MRVPVSSYSA-N -1 0 320.309 -0.207 20 0 DBADRM O=C(N[C@H]1C[C@@H](CNC(=O)C2CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000978495596 665540805 /nfs/dbraw/zinc/54/08/05/665540805.db2.gz BXWKZGWFXAHVLW-OTSSQURYSA-N -1 0 321.337 -0.293 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001027644789 665546233 /nfs/dbraw/zinc/54/62/33/665546233.db2.gz KOLGIBMHIARVEP-SECBINFHSA-N -1 0 320.357 -0.706 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@H]1[C@@H]2COC[C@@H]21 ZINC000978609099 665546665 /nfs/dbraw/zinc/54/66/65/665546665.db2.gz DOVZHPJTSRBMTN-LFAVYESESA-N -1 0 319.365 -0.803 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001027672042 665568626 /nfs/dbraw/zinc/56/86/26/665568626.db2.gz QTSKDXSWEGWMPI-SNVBAGLBSA-N -1 0 320.357 -0.775 20 0 DBADRM CC(=O)N[C@H]1C[C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000978820520 665573582 /nfs/dbraw/zinc/57/35/82/665573582.db2.gz KQGHZSGETIXJAH-AOOOYVTPSA-N -1 0 303.322 -0.333 20 0 DBADRM CC1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000979061721 665597747 /nfs/dbraw/zinc/59/77/47/665597747.db2.gz GMUXOYOHUHXXJA-OCAPTIKFSA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(NC[C@H]1C[C@@H](NC(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000979067526 665599492 /nfs/dbraw/zinc/59/94/92/665599492.db2.gz XADMFVMFNULOBT-WRXNHJIOSA-N -1 0 307.310 -0.683 20 0 DBADRM CC(C)CC(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001009941876 665626389 /nfs/dbraw/zinc/62/63/89/665626389.db2.gz LTLMROOXYJPYET-UHFFFAOYSA-N -1 0 309.326 -0.387 20 0 DBADRM Cc1c(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001027758249 665626552 /nfs/dbraw/zinc/62/65/52/665626552.db2.gz UJRCTXAMXMYWBL-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)nn1C ZINC001027778774 665635734 /nfs/dbraw/zinc/63/57/34/665635734.db2.gz SKXPHCUWKRNQKX-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM CCC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000979554753 665668535 /nfs/dbraw/zinc/66/85/35/665668535.db2.gz YQHIVASJGARWOG-YIZRAAEISA-N -1 0 321.337 -0.340 20 0 DBADRM CN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000314273113 665671828 /nfs/dbraw/zinc/67/18/28/665671828.db2.gz CJQDRYPCCSCWEJ-VWYCJHECSA-N -1 0 318.395 -0.020 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2Cc2nnnn2C)c1[O-] ZINC001027829821 665681712 /nfs/dbraw/zinc/68/17/12/665681712.db2.gz JULNBTZFGNKCIV-SECBINFHSA-N -1 0 320.357 -0.658 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2CC(=O)N(C)C)c1[O-] ZINC001027832659 665685720 /nfs/dbraw/zinc/68/57/20/665685720.db2.gz INNUQDCFONZZRD-JTQLQIEISA-N -1 0 309.370 -0.294 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1cncnc1 ZINC001027839686 665690454 /nfs/dbraw/zinc/69/04/54/665690454.db2.gz XLQCPSVWABCPEF-JTQLQIEISA-N -1 0 303.326 -0.305 20 0 DBADRM O=C(N[C@@H]1CC[C@H]2CN(C(=O)c3ncc[nH]3)C[C@H]21)c1cn[nH]n1 ZINC000979840889 665692338 /nfs/dbraw/zinc/69/23/38/665692338.db2.gz VDAXNIBCNIMKPD-IVZWLZJFSA-N -1 0 315.337 -0.192 20 0 DBADRM CCC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]12 ZINC000979870917 665694185 /nfs/dbraw/zinc/69/41/85/665694185.db2.gz VXXJTLYBNSTHFV-IWSPIJDZSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001010063827 665703357 /nfs/dbraw/zinc/70/33/57/665703357.db2.gz HJLCUWHFKSGYKR-IUCAKERBSA-N -1 0 309.326 -0.984 20 0 DBADRM CC1(C(=O)N[C@H]2C[C@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000980066294 665713687 /nfs/dbraw/zinc/71/36/87/665713687.db2.gz GMUXOYOHUHXXJA-ZKCHVHJHSA-N -1 0 321.337 -0.293 20 0 DBADRM CC(C)C(=O)N[C@H]1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000980068823 665715771 /nfs/dbraw/zinc/71/57/71/665715771.db2.gz SHGPHOGNONFUTK-ZKCHVHJHSA-N -1 0 309.326 -0.437 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1[O-] ZINC001010144670 665749043 /nfs/dbraw/zinc/74/90/43/665749043.db2.gz MEPIBBRJDAWTOG-SNVBAGLBSA-N -1 0 308.338 -0.113 20 0 DBADRM NS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000314670626 665764564 /nfs/dbraw/zinc/76/45/64/665764564.db2.gz PVGYAMLIILBLMP-UWVGGRQHSA-N -1 0 319.383 -0.775 20 0 DBADRM COCC(=O)N1CCCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000980577443 665777992 /nfs/dbraw/zinc/77/79/92/665777992.db2.gz PARCTNMEFJZFAV-UHFFFAOYSA-N -1 0 319.365 -0.297 20 0 DBADRM O=C([C@@H]1CCCOC1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980828361 665803747 /nfs/dbraw/zinc/80/37/47/665803747.db2.gz QLGWIMDWTUHCRK-LLVKDONJSA-N -1 0 309.370 -0.029 20 0 DBADRM O=C(C[C@H]1CCOC1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980878956 665808301 /nfs/dbraw/zinc/80/83/01/665808301.db2.gz GKJGKXZQIMBABO-LLVKDONJSA-N -1 0 309.370 -0.029 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN([C@H]3CCNC3=O)CC2)c1[O-] ZINC000980981607 665814892 /nfs/dbraw/zinc/81/48/92/665814892.db2.gz AFKBQGGOMCNEHR-JTQLQIEISA-N -1 0 307.354 -0.540 20 0 DBADRM O=C(C1=CCOCC1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981024010 665815749 /nfs/dbraw/zinc/81/57/49/665815749.db2.gz IHADVDXSCXSOEJ-UHFFFAOYSA-N -1 0 307.354 -0.109 20 0 DBADRM Cn1oc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)cc1=O ZINC000981049865 665818747 /nfs/dbraw/zinc/81/87/47/665818747.db2.gz JZCPBMVLMNHBTO-UHFFFAOYSA-N -1 0 322.325 -0.850 20 0 DBADRM CC(=O)N1CC(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC000981044279 665818849 /nfs/dbraw/zinc/81/88/49/665818849.db2.gz VKJFFEVELZBPKS-UHFFFAOYSA-N -1 0 322.369 -0.977 20 0 DBADRM O=C(C[C@@H]1CCNC1=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981321415 665842755 /nfs/dbraw/zinc/84/27/55/665842755.db2.gz CBINVECIOHKERU-JTQLQIEISA-N -1 0 322.369 -0.929 20 0 DBADRM Cc1ncc(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)n1C ZINC001028098704 665855455 /nfs/dbraw/zinc/85/54/55/665855455.db2.gz VAOMOQNCAXGZFA-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(c3ncccn3)CC2)O1 ZINC000318590750 665876665 /nfs/dbraw/zinc/87/66/65/665876665.db2.gz RXNREPXXZNRXGX-MNOVXSKESA-N -1 0 306.322 -0.243 20 0 DBADRM O=C(NC[C@H]1CC[C@@H](NC(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000981808322 665877356 /nfs/dbraw/zinc/87/73/56/665877356.db2.gz ACDYWQVRFHXRSK-IONNQARKSA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(c1n[nH]cc1F)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981899914 665889620 /nfs/dbraw/zinc/88/96/20/665889620.db2.gz LSAXTWGIFBQIJD-UHFFFAOYSA-N -1 0 309.305 -0.279 20 0 DBADRM Cn1ncc(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001028198337 665902889 /nfs/dbraw/zinc/90/28/89/665902889.db2.gz DWPVLCOSEFVMQB-MRVPVSSYSA-N -1 0 306.330 -0.967 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCC[C@H](C)C(=O)[O-] ZINC000250708515 665914441 /nfs/dbraw/zinc/91/44/41/665914441.db2.gz XJESRECHIYULOX-UWVGGRQHSA-N -1 0 322.383 -0.041 20 0 DBADRM C/C=C(/C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000936808239 665938162 /nfs/dbraw/zinc/93/81/62/665938162.db2.gz FDDJCUKEFVKPCX-QDJRAUDGSA-N -1 0 321.337 -0.533 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2CCS(C)(=O)=O)c1[O-] ZINC001038164309 665960897 /nfs/dbraw/zinc/96/08/97/665960897.db2.gz ITQKPKOBCNVOSH-SECBINFHSA-N -1 0 316.383 -0.728 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2[C@H]2CCCNC2=O)c1[O-] ZINC001038166026 663794101 /nfs/dbraw/zinc/79/41/01/663794101.db2.gz VFUQHZCDXFRNCN-ZJUUUORDSA-N -1 0 307.354 -0.494 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2[C@H]2CCCNC2=O)c1[O-] ZINC001038166022 663794499 /nfs/dbraw/zinc/79/44/99/663794499.db2.gz VFUQHZCDXFRNCN-UWVGGRQHSA-N -1 0 307.354 -0.494 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(F)c[nH]3)C2)nc1=O ZINC001020402545 663798314 /nfs/dbraw/zinc/79/83/14/663798314.db2.gz OJOUDNCNHFTQDH-KYZUINATSA-N -1 0 308.317 -0.374 20 0 DBADRM C[C@@H](NC(=O)C1CCOCC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969196260 663803927 /nfs/dbraw/zinc/80/39/27/663803927.db2.gz RZFBJNSRDIXCLZ-SECBINFHSA-N -1 0 309.370 -0.127 20 0 DBADRM C[C@H](NC(=O)c1ccon1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000969330834 663816195 /nfs/dbraw/zinc/81/61/95/663816195.db2.gz XOQRMIUABYVSJT-QMMMGPOBSA-N -1 0 306.326 -0.653 20 0 DBADRM C[C@@H](NC(=O)c1cnsn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969347389 663819028 /nfs/dbraw/zinc/81/90/28/663819028.db2.gz VRWUXWCMHNREAV-ZCFIWIBFSA-N -1 0 309.355 -0.388 20 0 DBADRM C[C@@H](NC(=O)c1ccnn1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969385635 663823750 /nfs/dbraw/zinc/82/37/50/663823750.db2.gz RENFJENTUHKJDP-MRVPVSSYSA-N -1 0 305.342 -0.506 20 0 DBADRM CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000969466318 663835630 /nfs/dbraw/zinc/83/56/30/663835630.db2.gz PDNRQMLLMNJQIU-DTORHVGOSA-N -1 0 321.337 -0.102 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(Cc3cnn(C)n3)C2)c1[O-] ZINC000969499770 663838906 /nfs/dbraw/zinc/83/89/06/663838906.db2.gz AXWBHJWZQNNVKH-MRVPVSSYSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(Cc3nnnn3C)C2)c1[O-] ZINC000969505858 663838951 /nfs/dbraw/zinc/83/89/51/663838951.db2.gz IBLXJVCCGHFVQF-ZETCQYMHSA-N -1 0 320.357 -0.802 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN([C@H]3CCCNC3=O)C2)c1[O-] ZINC000969505757 663838955 /nfs/dbraw/zinc/83/89/55/663838955.db2.gz FCOSSIYQDCEJCH-KWQFWETISA-N -1 0 321.381 -0.248 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN([C@@H](C)C(=O)N(C)C)C2)c1[O-] ZINC000969500043 663839052 /nfs/dbraw/zinc/83/90/52/663839052.db2.gz FXSNAYMTJYXMBN-WPRPVWTQSA-N -1 0 323.397 -0.049 20 0 DBADRM C[C@@H](NC(=O)c1ncccc1O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969544895 663843241 /nfs/dbraw/zinc/84/32/41/663843241.db2.gz YCHVJBCIPVNRRW-MRVPVSSYSA-N -1 0 318.337 -0.139 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnsn1 ZINC001006800282 663857909 /nfs/dbraw/zinc/85/79/09/663857909.db2.gz RNTUWUREXUVZBL-SSDOTTSWSA-N -1 0 309.355 -0.244 20 0 DBADRM C[C@H](NC(=O)c1cccc2n[nH]nc21)C1CN(CC(N)=O)C1 ZINC000969738023 663860516 /nfs/dbraw/zinc/86/05/16/663860516.db2.gz FVJPXTMXOIHCJY-QMMMGPOBSA-N -1 0 302.338 -0.507 20 0 DBADRM CCC(=O)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC001020635687 663881111 /nfs/dbraw/zinc/88/11/11/663881111.db2.gz CAHMONOPHFXTJQ-IUCAKERBSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@@H](NC(=O)c1cnc[nH]c1=O)C1CN([C@H](C)C(=O)N(C)C)C1 ZINC000969928309 663881943 /nfs/dbraw/zinc/88/19/43/663881943.db2.gz NEZOUCYBEXOYBM-NXEZZACHSA-N -1 0 321.381 -0.291 20 0 DBADRM C[C@@H](NC(=O)c1cnc[nH]c1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969926323 663881963 /nfs/dbraw/zinc/88/19/63/663881963.db2.gz HYONIIVUIZVFDA-SSDOTTSWSA-N -1 0 319.325 -0.744 20 0 DBADRM Cc1[nH]nc(C(=O)[N-]NC(=O)CN(C)C)c1Br ZINC000075654000 663884110 /nfs/dbraw/zinc/88/41/10/663884110.db2.gz KOFNMAAMGWFGOT-UHFFFAOYSA-N -1 0 304.148 -0.197 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(=O)[N-]OC/C=C/Cl)cn1C ZINC000812403612 663898029 /nfs/dbraw/zinc/89/80/29/663898029.db2.gz TZHVDWLPNCUMSO-ONEGZZNKSA-N -1 0 322.774 -0.193 20 0 DBADRM CC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001020781909 663905178 /nfs/dbraw/zinc/90/51/78/663905178.db2.gz VKDCZXYLBMCEQD-VXNVDRBHSA-N -1 0 309.326 -0.483 20 0 DBADRM CC(=O)NC[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001020781611 663905251 /nfs/dbraw/zinc/90/52/51/663905251.db2.gz USVZBLXZOXYWID-MWLCHTKSSA-N -1 0 322.365 -0.280 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)[C@@H]3CCOC3)CC2)c1[O-] ZINC001010598733 663913251 /nfs/dbraw/zinc/91/32/51/663913251.db2.gz IKHUHLNHLICSFU-SNVBAGLBSA-N -1 0 308.338 -0.255 20 0 DBADRM CCCC(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001020936716 663925215 /nfs/dbraw/zinc/92/52/15/663925215.db2.gz QCJLIVDDPGJNHW-VHSXEESVSA-N -1 0 323.353 -0.451 20 0 DBADRM O=C(NC[C@H](N1CCOCC1)C(F)(F)F)c1cc(=O)[nH][n-]1 ZINC000804713846 663925641 /nfs/dbraw/zinc/92/56/41/663925641.db2.gz QPKPITGQYPAMMB-QMMMGPOBSA-N -1 0 308.260 -0.758 20 0 DBADRM CCN(C(C)=O)C1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000967712452 663929669 /nfs/dbraw/zinc/92/96/69/663929669.db2.gz NUGAFAMFYFQZRW-UHFFFAOYSA-N -1 0 303.322 -0.285 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCCN1CCCCC1=O ZINC000804776507 663931142 /nfs/dbraw/zinc/93/11/42/663931142.db2.gz ZSLMZWQXSVLJHU-UHFFFAOYSA-N -1 0 301.343 -0.801 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[N-]OC1CCC1 ZINC000812794325 663933421 /nfs/dbraw/zinc/93/34/21/663933421.db2.gz ACMUSAFZJMMXPR-QMMMGPOBSA-N -1 0 302.356 -0.313 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970254816 663952899 /nfs/dbraw/zinc/95/28/99/663952899.db2.gz CVXMUDXLXKXJLP-ZCFIWIBFSA-N -1 0 306.330 -0.813 20 0 DBADRM C[C@H](NC(=O)c1cn(C)c(=O)[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970368248 663977117 /nfs/dbraw/zinc/97/71/17/663977117.db2.gz BWEMIDIQMSALFF-ZETCQYMHSA-N -1 0 321.341 -0.800 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1COCCO1 ZINC001006815795 663981139 /nfs/dbraw/zinc/98/11/39/663981139.db2.gz WMXRRAJNZSPJKC-VHSXEESVSA-N -1 0 311.342 -0.994 20 0 DBADRM CCn1ccc(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000970532016 664004725 /nfs/dbraw/zinc/00/47/25/664004725.db2.gz PFVCFHXPTHSRJC-SECBINFHSA-N -1 0 319.369 -0.023 20 0 DBADRM C[C@H](NC(=O)c1ccncn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970611489 664018073 /nfs/dbraw/zinc/01/80/73/664018073.db2.gz DNEPCWAJQNDXMD-QMMMGPOBSA-N -1 0 303.326 -0.449 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cscn2)CC1 ZINC000813946778 664061854 /nfs/dbraw/zinc/06/18/54/664061854.db2.gz LKSZFDMVUMXJHA-UHFFFAOYSA-N -1 0 318.380 -0.718 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cn1 ZINC000909903772 674585648 /nfs/dbraw/zinc/58/56/48/674585648.db2.gz SEXIOVOEAZAIHH-XQQFMLRXSA-N -1 0 307.350 -0.107 20 0 DBADRM C[C@H](NC(=O)c1ccn(C)n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970881613 664067136 /nfs/dbraw/zinc/06/71/36/664067136.db2.gz VVQDYMMRHFWECT-QMMMGPOBSA-N -1 0 305.342 -0.506 20 0 DBADRM CC(=O)N1C[C@H]2CCN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000970983829 664088406 /nfs/dbraw/zinc/08/84/06/664088406.db2.gz DPLRNBZMNYHPFN-MWLCHTKSSA-N -1 0 321.337 -0.705 20 0 DBADRM Cc1nc[nH]c1C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970991996 664089582 /nfs/dbraw/zinc/08/95/82/664089582.db2.gz FEVRYIFOCPOWRC-ZETCQYMHSA-N -1 0 305.342 -0.208 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000909958282 674588104 /nfs/dbraw/zinc/58/81/04/674588104.db2.gz FLPAKVJXBSHKCE-SECBINFHSA-N -1 0 307.372 -0.952 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC000971021798 664095020 /nfs/dbraw/zinc/09/50/20/664095020.db2.gz VJOCGFJHNQCOLO-QMMMGPOBSA-N -1 0 319.325 -0.648 20 0 DBADRM CN(Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000971023890 664096598 /nfs/dbraw/zinc/09/65/98/664096598.db2.gz CEHDAAGZEFNUQQ-WDEREUQCSA-N -1 0 309.370 -0.680 20 0 DBADRM CN(Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000971023883 664096626 /nfs/dbraw/zinc/09/66/26/664096626.db2.gz CEHDAAGZEFNUQQ-GHMZBOCLSA-N -1 0 309.370 -0.680 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H](O)C2CCOCC2)[C@@H](C(=O)[O-])C1 ZINC000909982462 674589016 /nfs/dbraw/zinc/58/90/16/674589016.db2.gz IJZROGIMRSAOKT-UTUOFQBUSA-N -1 0 301.339 -0.136 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cn(C)nc1C ZINC000811141307 664098997 /nfs/dbraw/zinc/09/89/97/664098997.db2.gz ITLJLUARSSRPJT-UHFFFAOYSA-N -1 0 317.367 -0.013 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@H](O)C2CCOCC2)[C@@H](C(=O)[O-])C1 ZINC000909982461 674589217 /nfs/dbraw/zinc/58/92/17/674589217.db2.gz IJZROGIMRSAOKT-IJLUTSLNSA-N -1 0 301.339 -0.136 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC000971075209 664105098 /nfs/dbraw/zinc/10/50/98/664105098.db2.gz MUZMRIIGCRMJRE-SNVBAGLBSA-N -1 0 305.342 -0.560 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC000971098039 664108191 /nfs/dbraw/zinc/10/81/91/664108191.db2.gz IHSDLIDMLCFXPI-SNVBAGLBSA-N -1 0 320.357 -0.775 20 0 DBADRM Cc1cc(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC000971163709 664118506 /nfs/dbraw/zinc/11/85/06/664118506.db2.gz WMDCNLHKOKMDIB-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)CC2(C(=O)[O-])CCC2)CC1 ZINC000261785217 664119412 /nfs/dbraw/zinc/11/94/12/664119412.db2.gz PXDCGNVCKZJPIS-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C1CCC(O)CC1 ZINC001038207553 664120066 /nfs/dbraw/zinc/12/00/66/664120066.db2.gz IGJIGWXSNBHIGE-HSOILSAZSA-N -1 0 309.370 -0.248 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC000971194420 664122063 /nfs/dbraw/zinc/12/20/63/664122063.db2.gz KRVAVSVBLAMSAD-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC000971194418 664122108 /nfs/dbraw/zinc/12/21/08/664122108.db2.gz KRVAVSVBLAMSAD-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC000971194417 664122190 /nfs/dbraw/zinc/12/21/90/664122190.db2.gz KRVAVSVBLAMSAD-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000910034392 674591234 /nfs/dbraw/zinc/59/12/34/674591234.db2.gz WSZUMTGKDMGRCA-NXEZZACHSA-N -1 0 306.384 -0.165 20 0 DBADRM Cc1nn(C)cc1C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000971221810 664126052 /nfs/dbraw/zinc/12/60/52/664126052.db2.gz RDZZQNZNRLGJFW-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC000971300979 664140049 /nfs/dbraw/zinc/14/00/49/664140049.db2.gz LNNOGGGTXSRSJV-VIFPVBQESA-N -1 0 320.357 -0.706 20 0 DBADRM Cc1cc(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)ncn1 ZINC000971357421 664146797 /nfs/dbraw/zinc/14/67/97/664146797.db2.gz RYLNCKVOEMVVFO-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM Cc1cc(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)ncn1 ZINC000971357422 664147026 /nfs/dbraw/zinc/14/70/26/664147026.db2.gz RYLNCKVOEMVVFO-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)Cc3cnnn3C)C2)c1[O-] ZINC000971359329 664147363 /nfs/dbraw/zinc/14/73/63/664147363.db2.gz DQLZRAIPXZQBOZ-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)Cc3nncn3C)C2)c1[O-] ZINC000971361779 664147412 /nfs/dbraw/zinc/14/74/12/664147412.db2.gz RXFCZCZIKAVFCK-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)Cc3nnnn3C)C2)c1[O-] ZINC000971362616 664147792 /nfs/dbraw/zinc/14/77/92/664147792.db2.gz ZRLCOUSALSUODI-VIFPVBQESA-N -1 0 320.357 -0.706 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)Cc3ncnn3C)C2)c1[O-] ZINC000971367991 664149108 /nfs/dbraw/zinc/14/91/08/664149108.db2.gz YBVXDXMMIUVJMZ-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2ncccc2O)C1 ZINC000971394883 664156358 /nfs/dbraw/zinc/15/63/58/664156358.db2.gz RJDWAGDNXGJTEY-VIFPVBQESA-N -1 0 318.337 -0.043 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)N2CCSC[C@@H](C(=O)[O-])C2)cn1 ZINC000910148985 674596162 /nfs/dbraw/zinc/59/61/62/674596162.db2.gz ZQSUXBKPAWABMU-WDEREUQCSA-N -1 0 313.379 -0.400 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000390248589 664175150 /nfs/dbraw/zinc/17/51/50/664175150.db2.gz LQRSCYRSCMIJEJ-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM CO[C@H](C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC000971443719 664175296 /nfs/dbraw/zinc/17/52/96/664175296.db2.gz VWWSCJJMFRBKKN-PWSUYJOCSA-N -1 0 309.370 -0.032 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCCO3)C2)nc1=O ZINC001021968447 664180463 /nfs/dbraw/zinc/18/04/63/664180463.db2.gz QYKGOXNIRLHALR-AXFHLTTASA-N -1 0 309.370 -0.586 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CCn2cccc2[C@H]1C(=O)[O-] ZINC000650423227 664183630 /nfs/dbraw/zinc/18/36/30/664183630.db2.gz LUNKUUVRAUUPNC-JTQLQIEISA-N -1 0 311.323 -0.553 20 0 DBADRM Cc1ccc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)o1 ZINC001021982132 664184606 /nfs/dbraw/zinc/18/46/06/664184606.db2.gz UURVBMICRXKRRO-PHIMTYICSA-N -1 0 319.365 -0.011 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3cnn(C)n3)CC2)c1[O-] ZINC001011006590 664189362 /nfs/dbraw/zinc/18/93/62/664189362.db2.gz AAYIEWLNAWYZNG-UHFFFAOYSA-N -1 0 319.325 -0.850 20 0 DBADRM Cc1c[nH]nc1C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000971515555 664198299 /nfs/dbraw/zinc/19/82/99/664198299.db2.gz BRBHNXHWQBQQJV-SECBINFHSA-N -1 0 305.342 -0.112 20 0 DBADRM CCn1ccc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001022108497 664216757 /nfs/dbraw/zinc/21/67/57/664216757.db2.gz BMIBIAFEOZNOFJ-PHIMTYICSA-N -1 0 319.369 -0.294 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000971637659 664220370 /nfs/dbraw/zinc/22/03/70/664220370.db2.gz OXYOPIQCMPWDOD-VHSXEESVSA-N -1 0 322.369 -0.979 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000971637653 664220399 /nfs/dbraw/zinc/22/03/99/664220399.db2.gz OXYOPIQCMPWDOD-NXEZZACHSA-N -1 0 322.369 -0.979 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000910332704 674602498 /nfs/dbraw/zinc/60/24/98/674602498.db2.gz RUMTYQXQMRKRGL-ZDUSSCGKSA-N -1 0 319.361 -0.032 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC000971756199 664250655 /nfs/dbraw/zinc/25/06/55/664250655.db2.gz JVSKGDWDYMCZCQ-QMMMGPOBSA-N -1 0 319.325 -0.648 20 0 DBADRM CN(Cc1cnon1)[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC000971757395 664250924 /nfs/dbraw/zinc/25/09/24/664250924.db2.gz XBXUUJAIEWGGHL-SNVBAGLBSA-N -1 0 304.310 -0.088 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001022299214 664256390 /nfs/dbraw/zinc/25/63/90/664256390.db2.gz DEVCVOORCJDQLT-BBBLOLIVSA-N -1 0 322.369 -0.885 20 0 DBADRM CN1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)S1(=O)=O ZINC000910422739 674605220 /nfs/dbraw/zinc/60/52/20/674605220.db2.gz WKCVZZSDLHIOKN-KWBADKCTSA-N -1 0 316.379 -0.266 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C2CC2)cc1C(N)=O ZINC000176079086 664267731 /nfs/dbraw/zinc/26/77/31/664267731.db2.gz FNLQTHWMPBHJRV-UWVGGRQHSA-N -1 0 311.363 -0.025 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](O)C2)C[C@H]1C1CC1 ZINC000926283622 664276948 /nfs/dbraw/zinc/27/69/48/664276948.db2.gz JGLMXIULWCHLRK-SDDRHHMPSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CCN1CCCS1(=O)=O ZINC000910444028 674606516 /nfs/dbraw/zinc/60/65/16/674606516.db2.gz MCKYEVSXSVRSJU-IUCAKERBSA-N -1 0 308.331 -0.564 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1 ZINC000910437017 674608805 /nfs/dbraw/zinc/60/88/05/674608805.db2.gz YMVKPBLUGXLCER-GUBZILKMSA-N -1 0 322.358 -0.318 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC000972003441 664311707 /nfs/dbraw/zinc/31/17/07/664311707.db2.gz WWIMDWOEXILAPG-OTYXRUKQSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2csnn2)C1 ZINC000972026488 664315286 /nfs/dbraw/zinc/31/52/86/664315286.db2.gz LDUHSNJARBHKMO-ZETCQYMHSA-N -1 0 309.355 -0.292 20 0 DBADRM CN(Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)c2csnn2)C1 ZINC000972026853 664315777 /nfs/dbraw/zinc/31/57/77/664315777.db2.gz NQPQETPGAMTJLP-MRVPVSSYSA-N -1 0 323.382 -0.694 20 0 DBADRM O=S1(=O)CCCN1CCN=c1nn[n-]n1Cc1ccccc1 ZINC000892137849 664319776 /nfs/dbraw/zinc/31/97/76/664319776.db2.gz PNPHMVBVKXLXAY-UHFFFAOYSA-N -1 0 322.394 -0.409 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(c2nccc(N3CCOCC3)n2)CCO1 ZINC000910479264 674611330 /nfs/dbraw/zinc/61/13/30/674611330.db2.gz HPUZOXJKQWJUAY-AWEZNQCLSA-N -1 0 308.338 -0.007 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)NC[C@H]1CCCS1 ZINC000910489817 674612135 /nfs/dbraw/zinc/61/21/35/674612135.db2.gz MVPPGNMACBEMHD-SNVBAGLBSA-N -1 0 318.395 -0.052 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000972135988 664338251 /nfs/dbraw/zinc/33/82/51/664338251.db2.gz ATMPPMIVNCKPLH-UXCLJVHYSA-N -1 0 307.354 -0.565 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC000972174002 664344835 /nfs/dbraw/zinc/34/48/35/664344835.db2.gz WMKMHARSDJTNGK-NOZJJQNGSA-N -1 0 313.333 -0.328 20 0 DBADRM CCO[C@@H]1COCC[C@H]1CC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000910519590 674613445 /nfs/dbraw/zinc/61/34/45/674613445.db2.gz CJKRPDKEPUWNGK-WDMOLILDSA-N -1 0 301.339 -0.134 20 0 DBADRM CCO[C@@H]1COCC[C@H]1CC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000910519588 674613679 /nfs/dbraw/zinc/61/36/79/674613679.db2.gz CJKRPDKEPUWNGK-MISXGVKJSA-N -1 0 301.339 -0.134 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC/C=C/Cl)C1 ZINC000910495485 674613902 /nfs/dbraw/zinc/61/39/02/674613902.db2.gz JDVOCVFUXCLSAX-FXMSTWTQSA-N -1 0 304.730 -0.195 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC/C=C/Cl)C1 ZINC000910495486 674614116 /nfs/dbraw/zinc/61/41/16/674614116.db2.gz JDVOCVFUXCLSAX-KMOQFTEPSA-N -1 0 304.730 -0.195 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)CN2Cc3ccccc3C2=O)C1 ZINC000910527127 674614220 /nfs/dbraw/zinc/61/42/20/674614220.db2.gz MOVQJBSBMJBMIR-HNNXBMFYSA-N -1 0 304.302 -0.310 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[C@@H]1C(=O)[O-] ZINC000910497448 674614656 /nfs/dbraw/zinc/61/46/56/674614656.db2.gz RABLARWLCASVAY-QLHLUDRRSA-N -1 0 322.361 -0.152 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC000262152054 664369820 /nfs/dbraw/zinc/36/98/20/664369820.db2.gz NBNQTSPMHFKNRX-SECBINFHSA-N -1 0 322.383 -0.594 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000972367174 664376786 /nfs/dbraw/zinc/37/67/86/664376786.db2.gz ZMFYKRJLYKXFOY-FOGDFJRCSA-N -1 0 309.370 -0.032 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)c2c(C)nc(C(C)C)[nH]c2=O)C[C@H]1O ZINC001022855430 664385074 /nfs/dbraw/zinc/38/50/74/664385074.db2.gz RTUOULFQJUXDJU-GHMZBOCLSA-N -1 0 322.365 -0.065 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC000972418405 664396965 /nfs/dbraw/zinc/39/69/65/664396965.db2.gz JRCDAXGOCXQKFH-SNVBAGLBSA-N -1 0 303.326 -0.353 20 0 DBADRM Cc1nc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)c(C)o1 ZINC001022884584 664397706 /nfs/dbraw/zinc/39/77/06/664397706.db2.gz JTXDSOFNEGRSGZ-AOOOYVTPSA-N -1 0 320.353 -0.236 20 0 DBADRM CC[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@@]1(F)C(=O)[O-] ZINC000910551881 674618004 /nfs/dbraw/zinc/61/80/04/674618004.db2.gz JBWOUKCQTMMBBW-SKDRFNHKSA-N -1 0 322.358 -0.317 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1cnn(C)c1 ZINC000262227953 664411708 /nfs/dbraw/zinc/41/17/08/664411708.db2.gz RZNGKTQLXVGJJB-JTQLQIEISA-N -1 0 308.338 -0.185 20 0 DBADRM CN(CC(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])S(C)(=O)=O ZINC000262266921 664425094 /nfs/dbraw/zinc/42/50/94/664425094.db2.gz XLUYJDNSJJPVIJ-VIFPVBQESA-N -1 0 324.399 -0.348 20 0 DBADRM Cc1cc(CN[C@H]2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)no1 ZINC001023025266 664426380 /nfs/dbraw/zinc/42/63/80/664426380.db2.gz DDAZAWZYYLLLJI-DTORHVGOSA-N -1 0 322.325 -0.577 20 0 DBADRM O=C([N-]NC(=O)[C@@H]1CCS(=O)(=O)C1)c1cn2ccccc2n1 ZINC000052398714 664451404 /nfs/dbraw/zinc/45/14/04/664451404.db2.gz MBDSHEUQZNKXAS-SECBINFHSA-N -1 0 322.346 -0.470 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC000972535119 664476610 /nfs/dbraw/zinc/47/66/10/664476610.db2.gz XNDDCOZLIRETHU-UWVGGRQHSA-N -1 0 322.369 -0.788 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CSCCS1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000910749987 674639646 /nfs/dbraw/zinc/63/96/46/674639646.db2.gz ZHEFWWMJFBUFKG-GJMOJQLCSA-N -1 0 306.409 -0.071 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC12CCOCC2 ZINC000910756092 674640347 /nfs/dbraw/zinc/64/03/47/674640347.db2.gz BCIDPFARPFAGHS-MNOVXSKESA-N -1 0 310.350 -0.005 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C(C)C)[C@@H](O)C2)c1[O-] ZINC000991289601 674650185 /nfs/dbraw/zinc/65/01/85/674650185.db2.gz DGBXIOPQZVFFGC-UWVGGRQHSA-N -1 0 310.354 -0.229 20 0 DBADRM Cn1cnc(C(=O)NC[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001023352496 664819682 /nfs/dbraw/zinc/81/96/82/664819682.db2.gz NAQUOKQMWWDNRJ-VIFPVBQESA-N -1 0 320.357 -0.719 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C3CC3)C[C@H]2O)c1[O-] ZINC001023413638 664824252 /nfs/dbraw/zinc/82/42/52/664824252.db2.gz PCTMSBIHQJZNQW-AVPPRXQKSA-N -1 0 322.365 -0.229 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC(C)C)C[C@H]2O)c1[O-] ZINC001023412386 664824686 /nfs/dbraw/zinc/82/46/86/664824686.db2.gz SLAFGBYDFCNEHY-NXEZZACHSA-N -1 0 310.354 -0.229 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCC3CC3)C[C@H]2O)c1[O-] ZINC001023412957 664824702 /nfs/dbraw/zinc/82/47/02/664824702.db2.gz ARINUZDVTATGJI-GHMZBOCLSA-N -1 0 322.365 -0.085 20 0 DBADRM CN(CCF)[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000972567678 664827771 /nfs/dbraw/zinc/82/77/71/664827771.db2.gz JRDRGQGTMRLGON-SNVBAGLBSA-N -1 0 322.344 -0.427 20 0 DBADRM O=C(NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnon1 ZINC001023661000 664848337 /nfs/dbraw/zinc/84/83/37/664848337.db2.gz PNXCINPLCDVUMO-QMMMGPOBSA-N -1 0 307.314 -0.465 20 0 DBADRM O=C(NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001023709840 664851738 /nfs/dbraw/zinc/85/17/38/664851738.db2.gz CZBZOINTSDPWBW-UWVGGRQHSA-N -1 0 322.369 -0.883 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000263464001 664856564 /nfs/dbraw/zinc/85/65/64/664856564.db2.gz FPYMTFFFDDSHDR-DTWKUNHWSA-N -1 0 310.372 -0.738 20 0 DBADRM Cc1nonc1C(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001023773495 664857030 /nfs/dbraw/zinc/85/70/30/664857030.db2.gz SRMOETAGULZKFF-SECBINFHSA-N -1 0 321.341 -0.156 20 0 DBADRM Cn1nccc1C(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC000972856376 664878131 /nfs/dbraw/zinc/87/81/31/664878131.db2.gz RGRYTYHDUXFVIG-JTQLQIEISA-N -1 0 319.369 -0.116 20 0 DBADRM O=C(N[C@H]1C[C@H](NC(=O)C2CCCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000972882237 664885718 /nfs/dbraw/zinc/88/57/18/664885718.db2.gz MDMJKYZDXUXZJC-KYZUINATSA-N -1 0 321.337 -0.150 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3cnccn3)C2)c1[O-] ZINC000972910571 664892136 /nfs/dbraw/zinc/89/21/36/664892136.db2.gz PDXYLAQKOSKAMM-KYZUINATSA-N -1 0 316.321 -0.095 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000972928961 664894625 /nfs/dbraw/zinc/89/46/25/664894625.db2.gz ITAFGLYZYGSZHQ-AATLWQCWSA-N -1 0 320.349 -0.481 20 0 DBADRM CCc1ccoc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024547589 664896811 /nfs/dbraw/zinc/89/68/11/664896811.db2.gz DLKLTOFKRSHZIS-GHMZBOCLSA-N -1 0 319.321 -0.425 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCO3)C2)c1[O-] ZINC000972941246 664901319 /nfs/dbraw/zinc/90/13/19/664901319.db2.gz VIMQQXMHRSSNKI-OPRDCNLKSA-N -1 0 308.338 -0.020 20 0 DBADRM CCCC(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001011399060 664901730 /nfs/dbraw/zinc/90/17/30/664901730.db2.gz RJAVBOIKHZTHDB-RKDXNWHRSA-N -1 0 311.342 -0.405 20 0 DBADRM Cn1[nH]c(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCOC2)nc1=O ZINC001024897177 664927525 /nfs/dbraw/zinc/92/75/25/664927525.db2.gz XGQMECPVAXWVSX-NWDGAFQWSA-N -1 0 323.397 -0.384 20 0 DBADRM O=C(CC1CCC1)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973130922 664992184 /nfs/dbraw/zinc/99/21/84/664992184.db2.gz LWTQTSMECBKZHN-KYZUINATSA-N -1 0 321.337 -0.150 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)c1[O-] ZINC000973180124 665001538 /nfs/dbraw/zinc/00/15/38/665001538.db2.gz JGGQRPKDUMTGCC-WSHGPQCASA-N -1 0 320.349 -0.163 20 0 DBADRM CC1(C)C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973183269 665001721 /nfs/dbraw/zinc/00/17/21/665001721.db2.gz ITRDNNZIAYZJFV-CIUDSAMLSA-N -1 0 323.353 -0.501 20 0 DBADRM CC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973476760 665039957 /nfs/dbraw/zinc/03/99/57/665039957.db2.gz UFCOZABSHDAWGT-LJGSYFOKSA-N -1 0 309.326 -0.294 20 0 DBADRM CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([O-])n(C)c1=O ZINC000973558848 665051428 /nfs/dbraw/zinc/05/14/28/665051428.db2.gz QMKMOZKGWKBOIL-FGWVZKOKSA-N -1 0 320.349 -0.242 20 0 DBADRM CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000973559605 665051432 /nfs/dbraw/zinc/05/14/32/665051432.db2.gz SRJJQNXLMBWCLO-PBINXNQUSA-N -1 0 309.326 -0.653 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000936318990 665068541 /nfs/dbraw/zinc/06/85/41/665068541.db2.gz MWUVBOKEUDTDBU-SECBINFHSA-N -1 0 309.326 -0.841 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCN(C(=O)C(F)F)C1 ZINC000936317423 665068646 /nfs/dbraw/zinc/06/86/46/665068646.db2.gz CVOSEVZYDRDPTI-YFKPBYRVSA-N -1 0 317.252 -0.779 20 0 DBADRM CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973737125 665074202 /nfs/dbraw/zinc/07/42/02/665074202.db2.gz HKVSVTSBTVJYDJ-MNOVXSKESA-N -1 0 323.353 -0.451 20 0 DBADRM CC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973744124 665076304 /nfs/dbraw/zinc/07/63/04/665076304.db2.gz VAJRJSZRWVHWPS-VHSXEESVSA-N -1 0 321.337 -0.244 20 0 DBADRM CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001025694507 665078557 /nfs/dbraw/zinc/07/85/57/665078557.db2.gz GRNSXBWULULQLW-GPTQDWHKSA-N -1 0 307.354 -0.518 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2cccc(F)n2)c(=O)n(C)c1=O ZINC000162290180 665081532 /nfs/dbraw/zinc/08/15/32/665081532.db2.gz CCMZBDRHRJSKEM-UHFFFAOYSA-N -1 0 314.298 -0.581 20 0 DBADRM CC(=O)N[C@@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C12CCC2 ZINC001025842459 665092982 /nfs/dbraw/zinc/09/29/82/665092982.db2.gz SMQKCAPMUOWPDK-RKDXNWHRSA-N -1 0 309.326 -0.747 20 0 DBADRM O=C(N[C@H]1C[C@@H](NC(=O)C2CCCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000973783803 665109330 /nfs/dbraw/zinc/10/93/30/665109330.db2.gz MDMJKYZDXUXZJC-DTORHVGOSA-N -1 0 321.337 -0.150 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](NC(=O)C2CCC2)C1 ZINC000973784920 665109595 /nfs/dbraw/zinc/10/95/95/665109595.db2.gz OEBYOGQLNHNDGS-DTORHVGOSA-N -1 0 309.326 -0.747 20 0 DBADRM C[C@@H]1OCC[C@]1(C)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001025925232 665112541 /nfs/dbraw/zinc/11/25/41/665112541.db2.gz XHYMNMGTRMDWKE-FBSDCJDYSA-N -1 0 321.381 -0.128 20 0 DBADRM CN(C)C(=O)CNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013199663 665118765 /nfs/dbraw/zinc/11/87/65/665118765.db2.gz LLTYHVMFKOQSBN-UHFFFAOYSA-N -1 0 302.308 -0.543 20 0 DBADRM C[C@H](C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@H]1CCCO1 ZINC001026026000 665120247 /nfs/dbraw/zinc/12/02/47/665120247.db2.gz DAACQXGINLGSJD-ZTVLKNOQSA-N -1 0 321.381 -0.128 20 0 DBADRM CC(=O)N[C@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1(C)C ZINC001007764481 665123954 /nfs/dbraw/zinc/12/39/54/665123954.db2.gz SEXXTFHDVSSXRA-JTQLQIEISA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCO1 ZINC001026125592 665125381 /nfs/dbraw/zinc/12/53/81/665125381.db2.gz GAMKZOCPIJAGTJ-VLLVSFFDSA-N -1 0 321.381 -0.128 20 0 DBADRM C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001026123364 665125833 /nfs/dbraw/zinc/12/58/33/665125833.db2.gz HWGUMLNUABDRRI-OFKSJOQMSA-N -1 0 307.354 -0.518 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973828811 665130507 /nfs/dbraw/zinc/13/05/07/665130507.db2.gz QEAYKWPJGLPNPQ-HXFLIBJXSA-N -1 0 309.326 -0.891 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973828816 665130540 /nfs/dbraw/zinc/13/05/40/665130540.db2.gz QEAYKWPJGLPNPQ-RBXMUDONSA-N -1 0 309.326 -0.891 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCO3)C2)c1[O-] ZINC000973842738 665132521 /nfs/dbraw/zinc/13/25/21/665132521.db2.gz VIMQQXMHRSSNKI-KXUCPTDWSA-N -1 0 308.338 -0.020 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000973843705 665132647 /nfs/dbraw/zinc/13/26/47/665132647.db2.gz ITAFGLYZYGSZHQ-IMSYWVGJSA-N -1 0 320.349 -0.481 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]c3)C2)c1[O-] ZINC000973922342 665143448 /nfs/dbraw/zinc/14/34/48/665143448.db2.gz VTIXWNQLSNQYRH-DTORHVGOSA-N -1 0 304.310 -0.162 20 0 DBADRM CC1CCN(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)CC1 ZINC000035680382 665147581 /nfs/dbraw/zinc/14/75/81/665147581.db2.gz ODZLLGNMLMWUFK-UHFFFAOYSA-N -1 0 305.400 -0.335 20 0 DBADRM CC(C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1(C)C ZINC001007902570 665151339 /nfs/dbraw/zinc/15/13/39/665151339.db2.gz YZMVVNMUFPTJRC-MRVPVSSYSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](NC(=O)C2CC=CC2)C1 ZINC000973971789 665151412 /nfs/dbraw/zinc/15/14/12/665151412.db2.gz ATORLZWUHNURQU-AOOOYVTPSA-N -1 0 321.337 -0.581 20 0 DBADRM O=C(CC1CCC1)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973981535 665152965 /nfs/dbraw/zinc/15/29/65/665152965.db2.gz LWTQTSMECBKZHN-DTORHVGOSA-N -1 0 321.337 -0.150 20 0 DBADRM O=C(CC1CCC1)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973982583 665153401 /nfs/dbraw/zinc/15/34/01/665153401.db2.gz KRZBBJIYIZUOHF-AOOOYVTPSA-N -1 0 323.353 -0.357 20 0 DBADRM CC1CC(C(=O)N[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000974010270 665155493 /nfs/dbraw/zinc/15/54/93/665155493.db2.gz XZKIFKTVYOFOEN-WZENYGAOSA-N -1 0 321.337 -0.294 20 0 DBADRM O=C([O-])c1ccc(N2CCN(C(=O)[C@H]3COCCO3)CC2)nc1 ZINC000911171842 674687955 /nfs/dbraw/zinc/68/79/55/674687955.db2.gz AOAHVCHBQCYLSA-GFCCVEGCSA-N -1 0 321.333 -0.156 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cccnn3)C2)c1[O-] ZINC000974033481 665158282 /nfs/dbraw/zinc/15/82/82/665158282.db2.gz VEMTTZQQKJWMSF-DTORHVGOSA-N -1 0 316.321 -0.095 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](NC(=O)c3[nH]nnc3C)C2)c1[O-] ZINC000974033688 665158333 /nfs/dbraw/zinc/15/83/33/665158333.db2.gz YQCHEFKMEXGARW-OCAPTIKFSA-N -1 0 319.325 -0.459 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1[O-] ZINC000974032924 665158556 /nfs/dbraw/zinc/15/85/56/665158556.db2.gz PZFXTTBSWUGCEB-XBLOIYCDSA-N -1 0 320.349 -0.307 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000974037644 665159167 /nfs/dbraw/zinc/15/91/67/665159167.db2.gz ITRDNNZIAYZJFV-HRDYMLBCSA-N -1 0 323.353 -0.501 20 0 DBADRM CC1(C)C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000974037645 665159308 /nfs/dbraw/zinc/15/93/08/665159308.db2.gz ITRDNNZIAYZJFV-YIZRAAEISA-N -1 0 323.353 -0.501 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)OC ZINC000893246090 665159820 /nfs/dbraw/zinc/15/98/20/665159820.db2.gz CBYLFOUNLTVVCD-WHOHXGKFSA-N -1 0 321.395 -0.091 20 0 DBADRM CCc1ccc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)cc1 ZINC000184933991 665175513 /nfs/dbraw/zinc/17/55/13/665175513.db2.gz NZDHCIOBSUIYFY-UHFFFAOYSA-N -1 0 324.362 -0.351 20 0 DBADRM C[C@H](NC(=O)[C@H]1C[C@@H]1C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006629231 665177199 /nfs/dbraw/zinc/17/71/99/665177199.db2.gz ZCPRHYDQWBVCBA-ZKWXMUAHSA-N -1 0 321.337 -0.485 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000974414045 665216839 /nfs/dbraw/zinc/21/68/39/665216839.db2.gz UIFYAYLNAQVXLM-JTQLQIEISA-N -1 0 323.353 -0.410 20 0 DBADRM O=C(CCc1c[nH]cn1)N1CC[C@@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001026879391 665239727 /nfs/dbraw/zinc/23/97/27/665239727.db2.gz VTUKRKLHPUDXIP-JTQLQIEISA-N -1 0 319.369 -0.196 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001027003090 665253408 /nfs/dbraw/zinc/25/34/08/665253408.db2.gz LTIJVHSJHXGRKL-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)CC1=O ZINC000866894071 665254475 /nfs/dbraw/zinc/25/44/75/665254475.db2.gz VZWGTLDCLREMRC-IWSPIJDZSA-N -1 0 309.413 -0.442 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000866894112 665254482 /nfs/dbraw/zinc/25/44/82/665254482.db2.gz WOYUDKIWCXDIQF-KVGMRJQNSA-N -1 0 323.440 -0.052 20 0 DBADRM O=C(N1CC[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1)[C@]1(F)CCOC1 ZINC001027019594 665255826 /nfs/dbraw/zinc/25/58/26/665255826.db2.gz HPMWQVOGRBWJGM-RNCFNFMXSA-N -1 0 313.333 -0.423 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)[N-]OC(C)(C)CO ZINC000857284273 665258216 /nfs/dbraw/zinc/25/82/16/665258216.db2.gz DYQPUTNVIZFJFL-UHFFFAOYSA-N -1 0 312.388 -0.851 20 0 DBADRM CCOC(=O)CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC1(F)F ZINC000893421479 665313304 /nfs/dbraw/zinc/31/33/04/665313304.db2.gz CHILHSOSVFHFIF-ZETCQYMHSA-N -1 0 314.310 -0.112 20 0 DBADRM CCOC(=O)CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCSC1 ZINC000893424499 665315210 /nfs/dbraw/zinc/31/52/10/665315210.db2.gz ZQEHYNKSSRASDL-VIFPVBQESA-N -1 0 324.424 -0.015 20 0 DBADRM CC(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[n-]3)C[C@H]21 ZINC000976009904 665317209 /nfs/dbraw/zinc/31/72/09/665317209.db2.gz FNRPCIYIYMNFOM-VIKVFOODSA-N -1 0 320.393 -0.032 20 0 DBADRM CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[n-]n4c3nccc4=O)C[C@H]21 ZINC000976013077 665317894 /nfs/dbraw/zinc/31/78/94/665317894.db2.gz QGSPBEGTGKTVFW-IAZYJMLFSA-N -1 0 301.306 -0.771 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(C(=O)c3cnc[nH]c3=O)C[C@H]21)[C@H]1CCOC1 ZINC000976247156 665339927 /nfs/dbraw/zinc/33/99/27/665339927.db2.gz CRTQTJFBDYJSOZ-OHBODLIOSA-N -1 0 318.333 -0.595 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)C(F)F)C[C@H]32)c1[O-] ZINC000976363047 665352886 /nfs/dbraw/zinc/35/28/86/665352886.db2.gz KRKBFSRLFGYAIU-ZMONIFLSSA-N -1 0 300.265 -0.125 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]32)c1[O-] ZINC000976363156 665353033 /nfs/dbraw/zinc/35/30/33/665353033.db2.gz MJRFSYIMWWBFJY-JIGDXULJSA-N -1 0 317.309 -0.958 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc[nH]n4)C[C@H]32)c1[O-] ZINC000976365753 665353036 /nfs/dbraw/zinc/35/30/36/665353036.db2.gz UANZLOJYHQSLMK-MBTKJCJQSA-N -1 0 316.321 -0.353 20 0 DBADRM O=C(CN1CCCC1=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001006709411 665358416 /nfs/dbraw/zinc/35/84/16/665358416.db2.gz ZMXBLTSVMNSMPD-JTQLQIEISA-N -1 0 322.369 -0.787 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CCC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001027397287 665377646 /nfs/dbraw/zinc/37/76/46/665377646.db2.gz WACTUIURJLYSNR-CMPLNLGQSA-N -1 0 311.386 -0.050 20 0 DBADRM CC1(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4c(=O)[n-][nH]c4=O)C[C@H]32)CC1 ZINC000976639874 665378083 /nfs/dbraw/zinc/37/80/83/665378083.db2.gz VOBGPGBOCBJTNV-MBTKJCJQSA-N -1 0 321.337 -0.938 20 0 DBADRM Cc1ncoc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000976798299 665392261 /nfs/dbraw/zinc/39/22/61/665392261.db2.gz CMYNYMGNLAQVDU-MBTKJCJQSA-N -1 0 302.294 -0.398 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@@H]3C(F)F)C[C@H]21)c1cn[nH]n1 ZINC000976798355 665392315 /nfs/dbraw/zinc/39/23/15/665392315.db2.gz FKNJZODTFGFMSO-UFNQKSLJSA-N -1 0 311.292 -0.108 20 0 DBADRM O=C(Cc1cccnc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000976798274 665392365 /nfs/dbraw/zinc/39/23/65/665392365.db2.gz BUHRCIOVXJYWOH-YABSGUDNSA-N -1 0 312.333 -0.371 20 0 DBADRM C[C@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000976809775 665395069 /nfs/dbraw/zinc/39/50/69/665395069.db2.gz HOLHNEUZPKHJSU-OMHSBUABSA-N -1 0 305.338 -0.584 20 0 DBADRM CN(C)c1ncc(CNC(=O)C2(C(=O)[O-])CCOCC2)n1C ZINC000911369256 674714814 /nfs/dbraw/zinc/71/48/14/674714814.db2.gz OQFWVOZIWRIIGS-UHFFFAOYSA-N -1 0 310.354 -0.016 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-])CC2 ZINC000911632016 674743071 /nfs/dbraw/zinc/74/30/71/674743071.db2.gz VFXBLFRTPSSMHG-JIMOISOXSA-N -1 0 307.350 -0.039 20 0 DBADRM CCO[C@H](C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC000911624157 674743155 /nfs/dbraw/zinc/74/31/55/674743155.db2.gz OPSPZILIWIAJDM-RHYQMDGZSA-N -1 0 301.339 -0.136 20 0 DBADRM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C1 ZINC000911744241 674746363 /nfs/dbraw/zinc/74/63/63/674746363.db2.gz ZPGPZTHDUYOPRZ-AXFHLTTASA-N -1 0 318.395 -0.020 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000911741104 674746482 /nfs/dbraw/zinc/74/64/82/674746482.db2.gz GUVITHZFSNAYQS-UWVGGRQHSA-N -1 0 306.384 -0.020 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C ZINC000911742952 674746545 /nfs/dbraw/zinc/74/65/45/674746545.db2.gz BZLUWQJSXITYKG-ZJUUUORDSA-N -1 0 306.384 -0.020 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCO[C@H]1C(F)(F)F ZINC000912087818 674756258 /nfs/dbraw/zinc/75/62/58/674756258.db2.gz ZEALBLWYYMECSM-JTQLQIEISA-N -1 0 317.227 -0.182 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C(C)C)C[C@@H]2O)c1[O-] ZINC000991385867 674772191 /nfs/dbraw/zinc/77/21/91/674772191.db2.gz GMCVSEPWTSOYGD-UWVGGRQHSA-N -1 0 310.354 -0.229 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C(C)C)C[C@H]2O)c1[O-] ZINC000991385865 674772453 /nfs/dbraw/zinc/77/24/53/674772453.db2.gz GMCVSEPWTSOYGD-NXEZZACHSA-N -1 0 310.354 -0.229 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ncn(C)n1 ZINC000912559849 674777183 /nfs/dbraw/zinc/77/71/83/674777183.db2.gz DLHLIFLFFNTAMQ-UHFFFAOYSA-N -1 0 314.327 -0.176 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NCC[C@H](C)CC(=O)[O-] ZINC000912557572 674777366 /nfs/dbraw/zinc/77/73/66/674777366.db2.gz DINSOPVCVGGARC-ZETCQYMHSA-N -1 0 319.339 -0.025 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccncc1F ZINC000912558680 674777411 /nfs/dbraw/zinc/77/74/11/674777411.db2.gz PWWBBOYKFFWWEU-UHFFFAOYSA-N -1 0 300.271 -0.047 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@H](C)[C@@H]1C(=O)[O-] ZINC000912559284 674777645 /nfs/dbraw/zinc/77/76/45/674777645.db2.gz YDSAQPBNJSOORB-POYBYMJQSA-N -1 0 317.323 -0.320 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C3CC3)C[C@H]2O)c1[O-] ZINC000991394401 674782278 /nfs/dbraw/zinc/78/22/78/674782278.db2.gz TVLDOPKLZIATIF-NXEZZACHSA-N -1 0 308.338 -0.475 20 0 DBADRM C[C@@H](C(=O)N1CCOC[C@H]1c1nnn[n-]1)N1CCSCC1 ZINC000913495624 674801295 /nfs/dbraw/zinc/80/12/95/674801295.db2.gz MEESSYKDIOZPQC-UWVGGRQHSA-N -1 0 312.399 -0.463 20 0 DBADRM O=C([N-]NC(=O)[C@H]1COc2ccccc2O1)c1cccc[n+]1[O-] ZINC000044872698 674806916 /nfs/dbraw/zinc/80/69/16/674806916.db2.gz UTYYHVSWXKZVAX-CYBMUJFWSA-N -1 0 315.285 -0.079 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]NC(=O)C(C)C ZINC000055564848 674807806 /nfs/dbraw/zinc/80/78/06/674807806.db2.gz MVWBJKCTMLEBDB-UHFFFAOYSA-N -1 0 318.355 -0.140 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C3(C)CC3)[C@H](O)C2)c1[O-] ZINC000991512962 674807901 /nfs/dbraw/zinc/80/79/01/674807901.db2.gz GQYYFKIOKJGBLE-VHSXEESVSA-N -1 0 322.365 -0.085 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001030076130 674818837 /nfs/dbraw/zinc/81/88/37/674818837.db2.gz WVRAGZDQKGOZSX-JOYOIKCWSA-N -1 0 301.350 -0.021 20 0 DBADRM C[C@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCCO1 ZINC000950366201 674820402 /nfs/dbraw/zinc/82/04/02/674820402.db2.gz WUPAULRLRYZKQS-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM CNC(=O)N[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000057124747 674823295 /nfs/dbraw/zinc/82/32/95/674823295.db2.gz OEKDNKOTNWDOSQ-UHFFFAOYSA-N -1 0 316.314 -0.167 20 0 DBADRM CNC(=O)N[N-]S(=O)(=O)c1ccc(OCC(=O)OC)cc1 ZINC000057124745 674823490 /nfs/dbraw/zinc/82/34/90/674823490.db2.gz MWUDUYNTBPBRJN-UHFFFAOYSA-N -1 0 317.323 -0.639 20 0 DBADRM C/C(=C/C(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)[C@H](O)C1)C1CC1 ZINC000991604362 674842953 /nfs/dbraw/zinc/84/29/53/674842953.db2.gz SRYXZIMKOMNCLE-FGKTYIOBSA-N -1 0 319.365 -0.147 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2ccoc2)C[C@H]1O)c1cn[nH]n1 ZINC000991606310 674843746 /nfs/dbraw/zinc/84/37/46/674843746.db2.gz YBMMQIIXSWCGJI-MWLCHTKSSA-N -1 0 305.294 -0.597 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C[C@@H](O)Cn3cccn3)C2)c1[O-] ZINC001030226880 674847597 /nfs/dbraw/zinc/84/75/97/674847597.db2.gz MRMVORLLCNRJBQ-LLVKDONJSA-N -1 0 320.353 -0.905 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN([C@H]3CCN(C(C)C)C3=O)C2)c1[O-] ZINC001030221993 674846780 /nfs/dbraw/zinc/84/67/80/674846780.db2.gz BLBFMKOGCYPGPJ-NSHDSACASA-N -1 0 321.381 -0.153 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](O)C1 ZINC000991612587 674846902 /nfs/dbraw/zinc/84/69/02/674846902.db2.gz LKJIFJNIWBTSLH-SCZZXKLOSA-N -1 0 320.305 -0.360 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CC(=O)NC3CCCC3)C2)c1[O-] ZINC001030222558 674846961 /nfs/dbraw/zinc/84/69/61/674846961.db2.gz PJTHBMRHWNXCBI-UHFFFAOYSA-N -1 0 321.381 -0.103 20 0 DBADRM COCc1noc(CN2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001030225355 674847184 /nfs/dbraw/zinc/84/71/84/674847184.db2.gz UMMQFDPPQJUANF-UHFFFAOYSA-N -1 0 322.325 -0.433 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(Cc3ccn(C)c(=O)c3)C2)c1[O-] ZINC001030224055 674847251 /nfs/dbraw/zinc/84/72/51/674847251.db2.gz HPDQSQYMKVIRPZ-UHFFFAOYSA-N -1 0 317.349 -0.263 20 0 DBADRM O=C(NC1CN(CCN2C(=O)CCC2=O)C1)c1ncccc1O ZINC001030243834 674851510 /nfs/dbraw/zinc/85/15/10/674851510.db2.gz TWLJLRPEJDZGCT-UHFFFAOYSA-N -1 0 318.333 -0.650 20 0 DBADRM CCc1occc1C(=O)NC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001030266027 674853843 /nfs/dbraw/zinc/85/38/43/674853843.db2.gz RLWIAIGRNQXRKL-UHFFFAOYSA-N -1 0 305.338 -0.122 20 0 DBADRM CC[C@@H](F)C(=O)N1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000991658048 674859712 /nfs/dbraw/zinc/85/97/12/674859712.db2.gz DOUCRJIWVYFJES-SNVBAGLBSA-N -1 0 321.312 -0.289 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000991665443 674861367 /nfs/dbraw/zinc/86/13/67/674861367.db2.gz JAXPXMVFKCOSKQ-SCZZXKLOSA-N -1 0 315.333 -0.381 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)CCO1 ZINC000167961908 674865789 /nfs/dbraw/zinc/86/57/89/674865789.db2.gz ZKBBSIMZEOABPY-UWVGGRQHSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccn(C(F)F)n1 ZINC001030372515 674872336 /nfs/dbraw/zinc/87/23/36/674872336.db2.gz JOXOXYKNTOAWAV-UHFFFAOYSA-N -1 0 313.268 -0.284 20 0 DBADRM Cn1nc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cc1C1CC1 ZINC001030404895 674881609 /nfs/dbraw/zinc/88/16/09/674881609.db2.gz DUDYQFGRVVEVJD-UHFFFAOYSA-N -1 0 317.353 -0.265 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc2n(n1)CCC2 ZINC001030406491 674882811 /nfs/dbraw/zinc/88/28/11/674882811.db2.gz JENXSMBSOZSLQM-UHFFFAOYSA-N -1 0 303.326 -0.733 20 0 DBADRM COc1nc(C)ncc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030408970 674883691 /nfs/dbraw/zinc/88/36/91/674883691.db2.gz SAXIOYIVGXMAIH-UHFFFAOYSA-N -1 0 319.325 -0.768 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)CC1=O ZINC000842333970 674895354 /nfs/dbraw/zinc/89/53/54/674895354.db2.gz MLDHXZVESAQRRD-RKDXNWHRSA-N -1 0 320.367 -0.748 20 0 DBADRM CC(=O)NCC1CC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000991828943 674900836 /nfs/dbraw/zinc/90/08/36/674900836.db2.gz ZRQKKEDLOMCEOE-UHFFFAOYSA-N -1 0 318.337 -0.898 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCc2nccn2C1 ZINC001030553224 674903653 /nfs/dbraw/zinc/90/36/53/674903653.db2.gz TURQHLVGXLOMKD-VIFPVBQESA-N -1 0 317.353 -0.730 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)CCS(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC000229229327 674908207 /nfs/dbraw/zinc/90/82/07/674908207.db2.gz YCLZDFJNACSGIJ-DTWKUNHWSA-N -1 0 313.397 -0.454 20 0 DBADRM CN(C)c1ccc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001030596845 674909971 /nfs/dbraw/zinc/90/99/71/674909971.db2.gz MTOMGJDCDKFDMY-UHFFFAOYSA-N -1 0 317.353 -0.415 20 0 DBADRM CCO[C@@H](C)c1noc(CN2CC(NC(=O)c3cn[nH]n3)C2)n1 ZINC001030601708 674910852 /nfs/dbraw/zinc/91/08/52/674910852.db2.gz XKOSJPUXPGKTJG-QMMMGPOBSA-N -1 0 321.341 -0.101 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001030637465 674916413 /nfs/dbraw/zinc/91/64/13/674916413.db2.gz WPTMHSQOVBHRLW-SNVBAGLBSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@H](c1cnccn1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030616647 674913100 /nfs/dbraw/zinc/91/31/00/674913100.db2.gz CZBXBFKTYLUFSX-SSDOTTSWSA-N -1 0 317.309 -0.752 20 0 DBADRM C[C@@H]1CC[C@@H](CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC001030617054 674913547 /nfs/dbraw/zinc/91/35/47/674913547.db2.gz VEMPLWPWAFLEMF-APPZFPTMSA-N -1 0 309.326 -0.736 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@H]2CSCCS2)nn1 ZINC000229640644 674913818 /nfs/dbraw/zinc/91/38/18/674913818.db2.gz DPKGMCLWZJJMJJ-ZETCQYMHSA-N -1 0 302.381 -0.059 20 0 DBADRM COc1ccc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001030643402 674917104 /nfs/dbraw/zinc/91/71/04/674917104.db2.gz JQRUFMLOROHCAE-UHFFFAOYSA-N -1 0 304.310 -0.472 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ncc2ccccn21 ZINC001030676850 674921814 /nfs/dbraw/zinc/92/18/14/674921814.db2.gz ZQWCEYBESNTCPI-UHFFFAOYSA-N -1 0 313.321 -0.228 20 0 DBADRM COc1coc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cc1=O ZINC001030678863 674922027 /nfs/dbraw/zinc/92/20/27/674922027.db2.gz OCMGAQCGPZTVNT-UHFFFAOYSA-N -1 0 321.293 -0.914 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001030702194 674927740 /nfs/dbraw/zinc/92/77/40/674927740.db2.gz SPINRWKZVGMFMP-ULHKAFAUSA-N -1 0 305.338 -0.766 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001030709518 674929557 /nfs/dbraw/zinc/92/95/57/674929557.db2.gz PHLHBHILRPTGKU-PWSUYJOCSA-N -1 0 307.354 -0.374 20 0 DBADRM C[C@H]1OCC[C@]1(C)C(=O)NC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001030726870 674932748 /nfs/dbraw/zinc/93/27/48/674932748.db2.gz KSNYAYXPPTXESB-OTYXRUKQSA-N -1 0 309.370 -0.776 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CC(NC(=O)c3cnon3)C2)c1[O-] ZINC000992030170 674933505 /nfs/dbraw/zinc/93/35/05/674933505.db2.gz LYQGLJRIPHLDNJ-UHFFFAOYSA-N -1 0 320.309 -0.255 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1occ2c1CCOC2 ZINC001030747228 674936570 /nfs/dbraw/zinc/93/65/70/674936570.db2.gz WAPKEJJOTZKMEC-UHFFFAOYSA-N -1 0 319.321 -0.210 20 0 DBADRM Cc1nocc1CN1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001030778521 674951144 /nfs/dbraw/zinc/95/11/44/674951144.db2.gz BBDSRFCAFWSZPS-UHFFFAOYSA-N -1 0 319.321 -0.603 20 0 DBADRM Cc1conc1CN1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001030779215 674951169 /nfs/dbraw/zinc/95/11/69/674951169.db2.gz QIQQGNOTWBFPKY-UHFFFAOYSA-N -1 0 319.321 -0.603 20 0 DBADRM Cc1n[nH]c(=O)c(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1C ZINC001030773631 674948412 /nfs/dbraw/zinc/94/84/12/674948412.db2.gz JBBHAGXWLBFWKA-UHFFFAOYSA-N -1 0 319.325 -0.763 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc2n1CCCC2 ZINC001030832613 674972005 /nfs/dbraw/zinc/97/20/05/674972005.db2.gz DMYHSOHZVXNBGP-UHFFFAOYSA-N -1 0 317.353 -0.343 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2ccns2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015122142 674990302 /nfs/dbraw/zinc/99/03/02/674990302.db2.gz YKVOGDMZESRIKF-SSDOTTSWSA-N -1 0 322.350 -0.256 20 0 DBADRM CN(C)[C@@H](C(=O)N1CCC(c2nnn[n-]2)CC1)c1cncn1C ZINC000913744970 675001939 /nfs/dbraw/zinc/00/19/39/675001939.db2.gz MODDGLUHBDBWMR-GFCCVEGCSA-N -1 0 318.385 -0.058 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)CC1(F)CCC1)C(=O)OC ZINC000913885176 675009062 /nfs/dbraw/zinc/00/90/62/675009062.db2.gz MXXSGACSWODZCK-QMMMGPOBSA-N -1 0 311.331 -0.097 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCCN1CCCCCC1=O ZINC000913900100 675009891 /nfs/dbraw/zinc/00/98/91/675009891.db2.gz WQOOZYMODZHMRA-UHFFFAOYSA-N -1 0 300.359 -0.244 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000913977106 675014411 /nfs/dbraw/zinc/01/44/11/675014411.db2.gz GKVBXMIMKSALSY-QWRGUYRKSA-N -1 0 316.402 -0.149 20 0 DBADRM O=S(=O)(N[C@@H](CO)c1ccc(F)cc1)[C@@H]1COC[C@H]1O ZINC000914163799 675024255 /nfs/dbraw/zinc/02/42/55/675024255.db2.gz ZUFLOHLYANRPOJ-QJPTWQEYSA-N -1 0 305.327 -0.462 20 0 DBADRM Cc1ccc(C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)c(=O)[nH]1 ZINC001031014628 675024294 /nfs/dbraw/zinc/02/42/94/675024294.db2.gz MILSLHFKXJQKSV-UHFFFAOYSA-N -1 0 318.337 -0.868 20 0 DBADRM CC(C)c1nccn1CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031034246 675027105 /nfs/dbraw/zinc/02/71/05/675027105.db2.gz LDCBFOGBWSUUHJ-UHFFFAOYSA-N -1 0 319.369 -0.169 20 0 DBADRM CC(C)n1ccc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001031035813 675027149 /nfs/dbraw/zinc/02/71/49/675027149.db2.gz HEAXGHZWNMKJSC-UHFFFAOYSA-N -1 0 305.342 -0.098 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnc(C2CC2)n1 ZINC001031035009 675027157 /nfs/dbraw/zinc/02/71/57/675027157.db2.gz HVPNHFBXOITTHP-UHFFFAOYSA-N -1 0 315.337 -0.208 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000753944674 675027286 /nfs/dbraw/zinc/02/72/86/675027286.db2.gz DLZMSYITWDIUER-APPZFPTMSA-N -1 0 318.301 0.000 20 0 DBADRM C[C@H](C(N)=O)N1CC(NC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC001031035608 675027294 /nfs/dbraw/zinc/02/72/94/675027294.db2.gz ZWGLERZVQDJEMG-MRVPVSSYSA-N -1 0 315.333 -0.377 20 0 DBADRM Cc1ccccc1[C@H](CO)NS(=O)(=O)[C@@H]1COC[C@H]1O ZINC000914214705 675027912 /nfs/dbraw/zinc/02/79/12/675027912.db2.gz PXNOZTFWKBPPTN-YNEHKIRRSA-N -1 0 301.364 -0.292 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1csc2cncn21 ZINC001031039471 675028885 /nfs/dbraw/zinc/02/88/85/675028885.db2.gz IMUGXXPAGDARFO-UHFFFAOYSA-N -1 0 319.350 -0.166 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000914270541 675029276 /nfs/dbraw/zinc/02/92/76/675029276.db2.gz YIQVXQNIKJYMKY-UHFFFAOYSA-N -1 0 308.338 -0.378 20 0 DBADRM O=S(=O)(N[C@H]1CCCCC12OCCO2)[C@@H]1COC[C@H]1O ZINC000914272784 675029727 /nfs/dbraw/zinc/02/97/27/675029727.db2.gz NYUSMSWWKNHIIP-MXWKQRLJSA-N -1 0 307.368 -0.649 20 0 DBADRM CS(=O)(=O)c1cccc(C(=O)N[N-]C(=O)c2cnccn2)c1 ZINC000031674920 675033890 /nfs/dbraw/zinc/03/38/90/675033890.db2.gz AEVAXPHERXGNEL-UHFFFAOYSA-N -1 0 320.330 -0.045 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730544615 675039251 /nfs/dbraw/zinc/03/92/51/675039251.db2.gz WCADSMDMBLXARG-UHFFFAOYSA-N -1 0 320.353 -0.650 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001031059696 675035160 /nfs/dbraw/zinc/03/51/60/675035160.db2.gz QLDGWZLSIQBEGE-SECBINFHSA-N -1 0 322.369 -0.931 20 0 DBADRM COc1nc(C)ccc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031061122 675035173 /nfs/dbraw/zinc/03/51/73/675035173.db2.gz ZQVTWEXHLBVDBU-UHFFFAOYSA-N -1 0 318.337 -0.163 20 0 DBADRM CO[C@H](C)CN1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001031064973 675035795 /nfs/dbraw/zinc/03/57/95/675035795.db2.gz MXRPSDMASQOKOE-SECBINFHSA-N -1 0 305.338 -0.529 20 0 DBADRM COC(=O)CCCCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730517311 675036218 /nfs/dbraw/zinc/03/62/18/675036218.db2.gz LCMIBHOHLFQQQF-UHFFFAOYSA-N -1 0 321.337 -0.079 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C2(C)CC2)C1 ZINC001006497237 675036295 /nfs/dbraw/zinc/03/62/95/675036295.db2.gz YBQKRUROPJGMCI-SSDOTTSWSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(C)CN(CC(N)=O)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730523297 675036363 /nfs/dbraw/zinc/03/63/63/675036363.db2.gz HMNPGPJSEQCHJK-UHFFFAOYSA-N -1 0 306.326 -0.959 20 0 DBADRM COC(=O)[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)C ZINC000730522505 675036372 /nfs/dbraw/zinc/03/63/72/675036372.db2.gz MSRHZKMGRVNNEW-SNVBAGLBSA-N -1 0 307.310 -0.615 20 0 DBADRM NC(=O)c1ccccc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730518276 675036413 /nfs/dbraw/zinc/03/64/13/675036413.db2.gz FOOWBSCOBIVBEE-UHFFFAOYSA-N -1 0 312.289 -0.191 20 0 DBADRM CCN(CC)C(=O)CN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730519071 675036457 /nfs/dbraw/zinc/03/64/57/675036457.db2.gz FSFHRSILZFLMSP-UHFFFAOYSA-N -1 0 320.353 -0.602 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cn1ccc(Br)cc1=O ZINC000832740770 675036780 /nfs/dbraw/zinc/03/67/80/675036780.db2.gz FPTZAIOGTMLMOH-UHFFFAOYSA-N -1 0 318.127 -0.595 20 0 DBADRM CCN(CC)C(=O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730531929 675037228 /nfs/dbraw/zinc/03/72/28/675037228.db2.gz GANBASZVHWYJBB-UHFFFAOYSA-N -1 0 306.326 -0.944 20 0 DBADRM CCCCOC(=O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730549016 675039827 /nfs/dbraw/zinc/03/98/27/675039827.db2.gz HVYCVQNQLHYAQJ-UHFFFAOYSA-N -1 0 307.310 -0.469 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@@H](O)c1ccccc1 ZINC000730584868 675040707 /nfs/dbraw/zinc/04/07/07/675040707.db2.gz GEFPHKFBBKWGNY-GFCCVEGCSA-N -1 0 313.317 -0.079 20 0 DBADRM CC(C)=CCN1CC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001031116266 675041016 /nfs/dbraw/zinc/04/10/16/675041016.db2.gz IVPXNTUMLBSJPO-UHFFFAOYSA-N -1 0 316.365 -0.162 20 0 DBADRM CCOC(=O)CCN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730589522 675041078 /nfs/dbraw/zinc/04/10/78/675041078.db2.gz JLMYBVYLEYFXNH-UHFFFAOYSA-N -1 0 307.310 -0.517 20 0 DBADRM O=C(COC(=O)Cn1[n-]cc2c(=O)ncnc1-2)NCC1CC1 ZINC000730659634 675045688 /nfs/dbraw/zinc/04/56/88/675045688.db2.gz RCHMPRJTAOKBAO-UHFFFAOYSA-N -1 0 305.294 -0.859 20 0 DBADRM CCN1CC[C@H](N2CC[C@H]2CNC(=O)c2[nH]nc(C)c2[O-])C1=O ZINC001038164868 670511861 /nfs/dbraw/zinc/51/18/61/670511861.db2.gz NRDYALAFONHRJY-QWRGUYRKSA-N -1 0 321.381 -0.151 20 0 DBADRM CCN1CC[C@@H](N2CC[C@@H]2CNC(=O)c2[nH]nc(C)c2[O-])C1=O ZINC001038164865 670512110 /nfs/dbraw/zinc/51/21/10/670512110.db2.gz NRDYALAFONHRJY-GHMZBOCLSA-N -1 0 321.381 -0.151 20 0 DBADRM CC(C)C(=O)N1CC[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000982465796 670597628 /nfs/dbraw/zinc/59/76/28/670597628.db2.gz QYAJRRPYDDBZNZ-SNVBAGLBSA-N -1 0 322.365 -0.280 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(=O)[N-]OCc2ccccc2)cn1 ZINC000047072031 670687842 /nfs/dbraw/zinc/68/78/42/670687842.db2.gz DIVZPKGDPDKTIU-UHFFFAOYSA-N -1 0 324.362 -0.054 20 0 DBADRM Cc1cnc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001028386522 670724334 /nfs/dbraw/zinc/72/43/34/670724334.db2.gz UZCMUZLWKFCCII-SNVBAGLBSA-N -1 0 317.353 -0.139 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc(=O)[nH]n1 ZINC001028385588 670725848 /nfs/dbraw/zinc/72/58/48/670725848.db2.gz GFCNSHRDFXBHLM-QMMMGPOBSA-N -1 0 319.325 -0.742 20 0 DBADRM Cc1nnsc1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028400816 670734899 /nfs/dbraw/zinc/73/48/99/670734899.db2.gz WSJSXJJVQQYOTO-MRVPVSSYSA-N -1 0 323.382 -0.078 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001028428842 670755591 /nfs/dbraw/zinc/75/55/91/670755591.db2.gz GSFVNONBCMFPSN-SECBINFHSA-N -1 0 305.342 -0.206 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCOC1 ZINC001028436484 670756169 /nfs/dbraw/zinc/75/61/69/670756169.db2.gz FPCIDLAHCVUYOS-QWRGUYRKSA-N -1 0 309.370 -0.125 20 0 DBADRM CCn1cc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001028454397 670786824 /nfs/dbraw/zinc/78/68/24/670786824.db2.gz VFOLVOKPMYMQHW-JTQLQIEISA-N -1 0 319.369 -0.021 20 0 DBADRM Cc1c(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nnn1C ZINC001028458060 670789797 /nfs/dbraw/zinc/78/97/97/670789797.db2.gz QDBFCJOJIAQBKT-SECBINFHSA-N -1 0 320.357 -0.801 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)C(=O)c3cnon3)C2)c1[O-] ZINC000937161616 670802337 /nfs/dbraw/zinc/80/23/37/670802337.db2.gz LZUYWLXYJDRVDS-MRVPVSSYSA-N -1 0 320.309 -0.207 20 0 DBADRM Cn1cnc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001028480891 670805750 /nfs/dbraw/zinc/80/57/50/670805750.db2.gz KGYOIFXMSMMYSN-VIFPVBQESA-N -1 0 305.342 -0.504 20 0 DBADRM Cn1ncc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1N ZINC001028497035 670813444 /nfs/dbraw/zinc/81/34/44/670813444.db2.gz PEURSMNGPUPSAR-QMMMGPOBSA-N -1 0 320.357 -0.922 20 0 DBADRM CCn1ccnc1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028512405 670824083 /nfs/dbraw/zinc/82/40/83/670824083.db2.gz UMMBZNQBNXKXFX-JTQLQIEISA-N -1 0 319.369 -0.021 20 0 DBADRM CC1(C(=O)N2CC[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000982847990 670889468 /nfs/dbraw/zinc/88/94/68/670889468.db2.gz BYJKIAJMJLRKOH-QMMMGPOBSA-N -1 0 321.337 -0.339 20 0 DBADRM O=C(c1nc(=O)[nH][n-]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000126325328 670895256 /nfs/dbraw/zinc/89/52/56/670895256.db2.gz OKXZSCZBTLVWCO-UHFFFAOYSA-N -1 0 318.293 -0.031 20 0 DBADRM Cn1cncc1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028666144 670926374 /nfs/dbraw/zinc/92/63/74/670926374.db2.gz BOXZFFRSEGZGKD-SECBINFHSA-N -1 0 305.342 -0.504 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983033265 670929432 /nfs/dbraw/zinc/92/94/32/670929432.db2.gz AULAHXFIFICCMH-YIZRAAEISA-N -1 0 321.337 -0.483 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000983063381 670937746 /nfs/dbraw/zinc/93/77/46/670937746.db2.gz YRMRPAVDRHGDFM-OPRDCNLKSA-N -1 0 323.353 -0.690 20 0 DBADRM O=C(Cc1ccon1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001006960413 670947352 /nfs/dbraw/zinc/94/73/52/670947352.db2.gz WMVYOTQPVLRMNO-JTQLQIEISA-N -1 0 306.326 -0.178 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1n[nH]cc1F ZINC001028784653 671045749 /nfs/dbraw/zinc/04/57/49/671045749.db2.gz REDXTCLKQNEOTI-ZETCQYMHSA-N -1 0 309.305 -0.376 20 0 DBADRM Cc1c[nH]c(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001028857010 671071968 /nfs/dbraw/zinc/07/19/68/671071968.db2.gz SKHZRAWFEIWZQX-VIFPVBQESA-N -1 0 305.342 -0.206 20 0 DBADRM CC[C@H](CNS(=O)(=O)CCS(C)(=O)=O)CC(=O)[O-] ZINC000147372371 671203087 /nfs/dbraw/zinc/20/30/87/671203087.db2.gz DKOHGUNRXRYOKO-QMMMGPOBSA-N -1 0 301.386 -0.549 20 0 DBADRM O=C(Cn1ccc(=O)[nH]c1=O)NC1(C(=O)[O-])CCSCC1 ZINC000262053740 671225183 /nfs/dbraw/zinc/22/51/83/671225183.db2.gz AKNDTVKZYAMGNU-UHFFFAOYSA-N -1 0 313.335 -0.585 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)[N-]NC(=O)C2CCCC2)o1 ZINC000048823794 671245207 /nfs/dbraw/zinc/24/52/07/671245207.db2.gz JOGBOFCZMMNPBV-UHFFFAOYSA-N -1 0 301.324 -0.122 20 0 DBADRM Cn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2n[nH]c(=O)[n-]2)cn1 ZINC001029207473 671273997 /nfs/dbraw/zinc/27/39/97/671273997.db2.gz URSZQNJJORKPJL-PHIMTYICSA-N -1 0 317.353 -0.267 20 0 DBADRM O=C([C@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029204683 671274446 /nfs/dbraw/zinc/27/44/46/671274446.db2.gz NWBPPDAJMSQBSF-OUAUKWLOSA-N -1 0 307.354 -0.136 20 0 DBADRM CC(C)[C@H](O)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000909426460 671283564 /nfs/dbraw/zinc/28/35/64/671283564.db2.gz GWBSGOUJFZIRHR-PWSUYJOCSA-N -1 0 300.355 -0.215 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@@](C)(O)C1CC1 ZINC000909426231 671284231 /nfs/dbraw/zinc/28/42/31/671284231.db2.gz GGNFKYVTCQTTBI-BONVTDFDSA-N -1 0 312.366 -0.071 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCCN2C(=O)C(N)=O)c1[O-] ZINC000937465417 671289542 /nfs/dbraw/zinc/28/95/42/671289542.db2.gz UNAZKIVBIJPTBU-QMMMGPOBSA-N -1 0 309.326 -0.980 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)C(C)(C)CO ZINC000909435338 671289714 /nfs/dbraw/zinc/28/97/14/671289714.db2.gz ZZCASMAGSCUUGL-SNVBAGLBSA-N -1 0 300.355 -0.214 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000262111206 671295433 /nfs/dbraw/zinc/29/54/33/671295433.db2.gz HVFAMCRNZBRFPP-LLVKDONJSA-N -1 0 324.424 -0.266 20 0 DBADRM O=C(c1cncnc1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029281450 671299263 /nfs/dbraw/zinc/29/92/63/671299263.db2.gz KMJTZIMMOSOFSS-PHIMTYICSA-N -1 0 315.337 -0.211 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)C(N)=O)c1[O-] ZINC000984025725 671313937 /nfs/dbraw/zinc/31/39/37/671313937.db2.gz MMXXCUBXCCJCMA-APPZFPTMSA-N -1 0 323.353 -0.734 20 0 DBADRM C[C@@H](CN(C(=O)CN(C)S(=O)(=O)N(C)C)C1CC1)C(=O)[O-] ZINC000909459485 671320196 /nfs/dbraw/zinc/32/01/96/671320196.db2.gz WVFRCYIUZUOHFY-VIFPVBQESA-N -1 0 321.399 -0.564 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000262152055 671321151 /nfs/dbraw/zinc/32/11/51/671321151.db2.gz NBNQTSPMHFKNRX-VIFPVBQESA-N -1 0 322.383 -0.594 20 0 DBADRM CC(C)C(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC001012317841 671323017 /nfs/dbraw/zinc/32/30/17/671323017.db2.gz AHBIVQIVIJLFFD-UWVGGRQHSA-N -1 0 322.365 -0.139 20 0 DBADRM CC(C)C(=O)N1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC001012317842 671323208 /nfs/dbraw/zinc/32/32/08/671323208.db2.gz AHBIVQIVIJLFFD-VHSXEESVSA-N -1 0 322.365 -0.139 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1nc(CNC(C)=O)cc(=O)[nH]1 ZINC000984126413 671323278 /nfs/dbraw/zinc/32/32/78/671323278.db2.gz WXPBXEAEROIFPY-VHSXEESVSA-N -1 0 322.321 -0.756 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)NC[C@H](C)CC(=O)[O-] ZINC000262165033 671327744 /nfs/dbraw/zinc/32/77/44/671327744.db2.gz NXOQIKAJWZRCBK-SECBINFHSA-N -1 0 310.372 -0.831 20 0 DBADRM O=C(CN1CCCS1(=O)=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000262186615 671338909 /nfs/dbraw/zinc/33/89/09/671338909.db2.gz PKCYPDRCJSVOJN-JTQLQIEISA-N -1 0 308.381 -0.902 20 0 DBADRM CCC(=O)N(C)[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000984452984 671351306 /nfs/dbraw/zinc/35/13/06/671351306.db2.gz KVFYWYTXXIVCSG-SNVBAGLBSA-N -1 0 322.365 -0.041 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCOC12CCOCC2 ZINC000895569933 671359857 /nfs/dbraw/zinc/35/98/57/671359857.db2.gz ANXGJQGEYHFQNR-JTQLQIEISA-N -1 0 301.343 -0.309 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000896701179 671423599 /nfs/dbraw/zinc/42/35/99/671423599.db2.gz ADFFBUOWSPOXNJ-MNOVXSKESA-N -1 0 301.343 -0.499 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1C(=O)C(N)=O ZINC000984777011 671424756 /nfs/dbraw/zinc/42/47/56/671424756.db2.gz KKZWXAFHJHJKCC-JGVFFNPUSA-N -1 0 309.326 -0.982 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)NC[C@](C)(O)C(=O)[O-])c2=O ZINC000262337788 671433978 /nfs/dbraw/zinc/43/39/78/671433978.db2.gz CBYZFFWVJXKMGC-AWEZNQCLSA-N -1 0 305.290 -0.432 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)s1 ZINC000728147503 671443745 /nfs/dbraw/zinc/44/37/45/671443745.db2.gz VTKXVANWNUYNGF-UHFFFAOYSA-N -1 0 303.365 -0.083 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)[C@@]3(O)CCSC3)C[C@H]1COCC2 ZINC000909561677 671448177 /nfs/dbraw/zinc/44/81/77/671448177.db2.gz AIVPCQLWLOJKFH-ZWKOPEQDSA-N -1 0 301.364 -0.196 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(C)=O ZINC000985232324 671455605 /nfs/dbraw/zinc/45/56/05/671455605.db2.gz QJYINFUDHQYDHC-WDEREUQCSA-N -1 0 308.338 -0.385 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC000262470100 671458763 /nfs/dbraw/zinc/45/87/63/671458763.db2.gz ZSBUVXXTIUOTHU-SECBINFHSA-N -1 0 313.335 -0.457 20 0 DBADRM O=C(CSCC(=O)N1CCOCC1)[N-]OC[C@@H]1CCOC1 ZINC000788272498 671467352 /nfs/dbraw/zinc/46/73/52/671467352.db2.gz ALBUJJYWYGHZFK-LLVKDONJSA-N -1 0 318.395 -0.337 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccn(C)c1=O ZINC000797279787 671496994 /nfs/dbraw/zinc/49/69/94/671496994.db2.gz HLGQFWDOJRPLRX-ZETCQYMHSA-N -1 0 302.308 -0.994 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000320658356 671497143 /nfs/dbraw/zinc/49/71/43/671497143.db2.gz HRWTXFJESIJCJS-RFXMVYNHSA-N -1 0 309.322 -0.312 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC000797283638 671498221 /nfs/dbraw/zinc/49/82/21/671498221.db2.gz KIRFLMQHGFPVTI-WCBMZHEXSA-N -1 0 320.367 -0.748 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1C ZINC000797297666 671499201 /nfs/dbraw/zinc/49/92/01/671499201.db2.gz DJVZNUJTRVVISO-QMMMGPOBSA-N -1 0 303.340 -0.342 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925168275 671506033 /nfs/dbraw/zinc/50/60/33/671506033.db2.gz FZOWLWWOHCAKCX-NXEZZACHSA-N -1 0 302.400 -0.457 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N1CCOC[C@H]1CC(=O)[O-])CC2 ZINC000909616144 671505573 /nfs/dbraw/zinc/50/55/73/671505573.db2.gz GBYUYSRYGIJLII-WDEREUQCSA-N -1 0 308.338 -0.149 20 0 DBADRM Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262571862 671512516 /nfs/dbraw/zinc/51/25/16/671512516.db2.gz ZFCHLOGINRAXKI-CYBMUJFWSA-N -1 0 308.294 -0.051 20 0 DBADRM CCN1CCC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C1=O ZINC000928870737 671530872 /nfs/dbraw/zinc/53/08/72/671530872.db2.gz WRADAEFOSXIWDF-SNVBAGLBSA-N -1 0 303.322 -0.237 20 0 DBADRM C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1ccnn1C ZINC000986066510 671558611 /nfs/dbraw/zinc/55/86/11/671558611.db2.gz OIFWDZNZAZFRSF-UWVGGRQHSA-N -1 0 319.369 -0.765 20 0 DBADRM Cn1cc(S(=O)(=O)NCc2cc(C(N)=O)no2)nc1Cl ZINC000752004550 671566264 /nfs/dbraw/zinc/56/62/64/671566264.db2.gz VCPVKMOBUTWWIM-UHFFFAOYSA-N -1 0 319.730 -0.361 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NCc3cn(C)nn3)[C@@H]2C)c1[O-] ZINC000986149894 671568408 /nfs/dbraw/zinc/56/84/08/671568408.db2.gz AOMGTXUIMUMTID-GXSJLCMTSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NCc3nncn3C)[C@@H]2C)c1[O-] ZINC000986157575 671568734 /nfs/dbraw/zinc/56/87/34/671568734.db2.gz IWYCPBVCOULPBH-UWVGGRQHSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NCc3nnn(C)n3)[C@H]2C)c1[O-] ZINC000986156317 671568740 /nfs/dbraw/zinc/56/87/40/671568740.db2.gz FZAGOXOCOWZRFP-BDAKNGLRSA-N -1 0 320.357 -0.660 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NCc3nnn(C)n3)[C@H]2C)c1[O-] ZINC000986156323 671569011 /nfs/dbraw/zinc/56/90/11/671569011.db2.gz FZAGOXOCOWZRFP-RKDXNWHRSA-N -1 0 320.357 -0.660 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)[C@@H]1CCCOC1 ZINC000262755729 671571802 /nfs/dbraw/zinc/57/18/02/671571802.db2.gz KIEULPVGORCWEA-OUAUKWLOSA-N -1 0 319.379 -0.050 20 0 DBADRM CCC(=O)N[C@H]1C[C@@H](C)N(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001013144439 671594540 /nfs/dbraw/zinc/59/45/40/671594540.db2.gz ZFOGDADVNUREBF-BDAKNGLRSA-N -1 0 323.353 -0.269 20 0 DBADRM C[C@@H]1[C@H](NCc2cnon2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000986489079 671596275 /nfs/dbraw/zinc/59/62/75/671596275.db2.gz SDADDPPVGMRQRD-HTRCEHHLSA-N -1 0 321.297 -0.941 20 0 DBADRM NC(=O)c1cccc(CN2Cc3n[nH]c(=O)n3C[C@@H]2C(=O)[O-])c1 ZINC000263050118 671623606 /nfs/dbraw/zinc/62/36/06/671623606.db2.gz KQQJLWNIXSXPQQ-SNVBAGLBSA-N -1 0 317.305 -0.861 20 0 DBADRM CC(=O)N[C@H](C)C1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000986949597 671627270 /nfs/dbraw/zinc/62/72/70/671627270.db2.gz YHOVAPZZFSYSHQ-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001013493783 671628356 /nfs/dbraw/zinc/62/83/56/671628356.db2.gz WRXKIMLKEDKGTA-RKDXNWHRSA-N -1 0 311.342 -0.549 20 0 DBADRM CC(=O)N[C@@H]1CCCCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000987096924 671645476 /nfs/dbraw/zinc/64/54/76/671645476.db2.gz YTBZWPCKMJIZBG-SNVBAGLBSA-N -1 0 311.342 -0.403 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263154943 671647117 /nfs/dbraw/zinc/64/71/17/671647117.db2.gz PVKCUPITWWXKDI-UWVGGRQHSA-N -1 0 322.383 -0.089 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCCCN(C(=O)C(N)=O)C2)c1[O-] ZINC000987139665 671651572 /nfs/dbraw/zinc/65/15/72/671651572.db2.gz MBXDGJNYUZASQP-VIFPVBQESA-N -1 0 323.353 -0.590 20 0 DBADRM C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000987352518 671679353 /nfs/dbraw/zinc/67/93/53/671679353.db2.gz MNPLKQCFPKIUBP-JGVFFNPUSA-N -1 0 319.321 -0.394 20 0 DBADRM CN1CCOC[C@H]1C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000867562723 671686629 /nfs/dbraw/zinc/68/66/29/671686629.db2.gz RUFGHMMNEUPZLF-SNVBAGLBSA-N -1 0 311.429 -0.587 20 0 DBADRM Cc1nccn1CC(=O)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000987532847 671696902 /nfs/dbraw/zinc/69/69/02/671696902.db2.gz SADPAVFWVPEMHN-MWLCHTKSSA-N -1 0 319.369 -0.206 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@H]1C ZINC000988052047 671744273 /nfs/dbraw/zinc/74/42/73/671744273.db2.gz DKFLYUGJOBEMNH-KCJUWKMLSA-N -1 0 303.322 -0.238 20 0 DBADRM CC(=O)N(C)C[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000988178610 671753413 /nfs/dbraw/zinc/75/34/13/671753413.db2.gz PKLXUIDREBQWJM-JTQLQIEISA-N -1 0 308.338 -0.574 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@H]3COCCO3)C2)c1[O-] ZINC000937698063 671805804 /nfs/dbraw/zinc/80/58/04/671805804.db2.gz CSCQSFISODPGOK-VHSXEESVSA-N -1 0 324.337 -0.830 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NCc3cnn(C)n3)C[C@H]2C)c1[O-] ZINC000988631909 671813772 /nfs/dbraw/zinc/81/37/72/671813772.db2.gz IMOGIUYJZDJHAD-PSASIEDQSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NCc3ncnn3C)C[C@H]2C)c1[O-] ZINC000988633229 671813882 /nfs/dbraw/zinc/81/38/82/671813882.db2.gz LLQLHRYZCSRVBJ-SCZZXKLOSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NCc3cn(C)nn3)C[C@@H]2C)c1[O-] ZINC000988639308 671814509 /nfs/dbraw/zinc/81/45/09/671814509.db2.gz WYYLTYKAYSXEHS-WCBMZHEXSA-N -1 0 319.369 -0.055 20 0 DBADRM CC(=O)N[C@@]12CCC[C@@H]1N(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC001014113616 671832289 /nfs/dbraw/zinc/83/22/89/671832289.db2.gz KVIZSZCUWRERML-ISVAXAHUSA-N -1 0 307.310 -0.444 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NCc3nnn(C)n3)C[C@H]2C)c1[O-] ZINC000988661441 671832354 /nfs/dbraw/zinc/83/23/54/671832354.db2.gz IQJPALCIIYYMNP-APPZFPTMSA-N -1 0 320.357 -0.660 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1=CCCC1 ZINC000937818115 671838628 /nfs/dbraw/zinc/83/86/28/671838628.db2.gz BTEWMEROLXWJSB-VIFPVBQESA-N -1 0 319.321 -0.276 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1[O-] ZINC000937828900 671839715 /nfs/dbraw/zinc/83/97/15/671839715.db2.gz HPLUMSDWCKGHJY-UKKRHICBSA-N -1 0 320.349 -0.353 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)Cn3ccnc3)C2)c1[O-] ZINC000937829303 671839829 /nfs/dbraw/zinc/83/98/29/671839829.db2.gz OJOUSLFFDNEFJI-JTQLQIEISA-N -1 0 318.337 -0.349 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCOC3)C2)c1[O-] ZINC000937831316 671840235 /nfs/dbraw/zinc/84/02/35/671840235.db2.gz GWBGFOZWWRYAIC-UWVGGRQHSA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCOC3)C2)c1[O-] ZINC000937831317 671840350 /nfs/dbraw/zinc/84/03/50/671840350.db2.gz GWBGFOZWWRYAIC-ZJUUUORDSA-N -1 0 308.338 -0.209 20 0 DBADRM CC(C)C(=O)N1CCCC[C@H]1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262426428 671869140 /nfs/dbraw/zinc/86/91/40/671869140.db2.gz BCXKYEFHPFMGEF-IINYFYTJSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@H]1C[C@H](NCc2ccon2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989112249 671879632 /nfs/dbraw/zinc/87/96/32/671879632.db2.gz OXAGSGPPHSNFNR-CBAPKCEASA-N -1 0 320.309 -0.336 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)C1CC1 ZINC000989223469 671998588 /nfs/dbraw/zinc/99/85/88/671998588.db2.gz AJTXNGPXYJZZSP-KCJUWKMLSA-N -1 0 320.349 -0.385 20 0 DBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)N(C)C(C)C)CC1=O ZINC000729912841 672498095 /nfs/dbraw/zinc/49/80/95/672498095.db2.gz JBGANJSTAUNTIE-JTQLQIEISA-N -1 0 321.399 -0.818 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1 ZINC000729914352 672498280 /nfs/dbraw/zinc/49/82/80/672498280.db2.gz GQPBZWSXLCJDCJ-UHFFFAOYSA-N -1 0 324.366 -0.023 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000729913280 672498293 /nfs/dbraw/zinc/49/82/93/672498293.db2.gz SHMIESUNPXWPMF-UHFFFAOYSA-N -1 0 319.383 -0.383 20 0 DBADRM C[C@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)c1n[nH]cc1F ZINC000989416549 672501341 /nfs/dbraw/zinc/50/13/41/672501341.db2.gz CEMFKKWJJCVLMH-NKWVEPMBSA-N -1 0 309.305 -0.235 20 0 DBADRM O=C(NC1CC1)C1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CC1 ZINC000738018945 672539162 /nfs/dbraw/zinc/53/91/62/672539162.db2.gz GJILLHBNUNQEJG-SECBINFHSA-N -1 0 306.326 -0.842 20 0 DBADRM COCCN(CCOC)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000898255440 672548416 /nfs/dbraw/zinc/54/84/16/672548416.db2.gz QNABHPYBHVAQHO-UHFFFAOYSA-N -1 0 312.370 -0.157 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cn(C)nc1Br ZINC000898279555 672549906 /nfs/dbraw/zinc/54/99/06/672549906.db2.gz GIHNWIJQDXPUAS-UHFFFAOYSA-N -1 0 305.132 -0.020 20 0 DBADRM C[C@H]1C[C@H](NCc2ccon2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000989717433 672588279 /nfs/dbraw/zinc/58/82/79/672588279.db2.gz FLMVDIHRXNCCEW-WPRPVWTQSA-N -1 0 322.325 -0.544 20 0 DBADRM Cc1[nH]nc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)c1C ZINC001038112114 672616347 /nfs/dbraw/zinc/61/63/47/672616347.db2.gz DTVGISQVXAFODR-VIFPVBQESA-N -1 0 305.342 -0.145 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)C2CCCC2)C1 ZINC000990036473 672632244 /nfs/dbraw/zinc/63/22/44/672632244.db2.gz JSYBLHXGOFDYJO-UHFFFAOYSA-N -1 0 309.326 -0.794 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000990135716 672653954 /nfs/dbraw/zinc/65/39/54/672653954.db2.gz JHYMSEHPGHXKBV-SCZZXKLOSA-N -1 0 315.333 -0.381 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]23CCC[C@H]2N(CC(N)=O)CC3)c1[O-] ZINC000990194119 672672033 /nfs/dbraw/zinc/67/20/33/672672033.db2.gz PMJOLYYHBCGREX-OTYXRUKQSA-N -1 0 307.354 -0.364 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)C[C@H]3CCCO3)C2)c1[O-] ZINC000990305987 672716567 /nfs/dbraw/zinc/71/65/67/672716567.db2.gz VHJLVCIDGLWWST-SNVBAGLBSA-N -1 0 308.338 -0.067 20 0 DBADRM NC(=O)c1csc(C(=O)[N-]S(=O)(=O)N2CCCC2)c1 ZINC000920123022 677490501 /nfs/dbraw/zinc/49/05/01/677490501.db2.gz ODEVDBIWLKWTNY-UHFFFAOYSA-N -1 0 303.365 -0.083 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001031991939 677879555 /nfs/dbraw/zinc/87/95/55/677879555.db2.gz BSECKGNEVAYCFO-MXWKQRLJSA-N -1 0 307.354 -0.374 20 0 DBADRM CC(=O)NC[C@H]1CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000944198948 678063322 /nfs/dbraw/zinc/06/33/22/678063322.db2.gz YLCFIFSKKHYQIF-SNVBAGLBSA-N -1 0 318.337 -0.802 20 0 DBADRM CC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000945812316 678178018 /nfs/dbraw/zinc/17/80/18/678178018.db2.gz AHAPOZCJUPDCNQ-IUCAKERBSA-N -1 0 307.310 -0.634 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O ZINC000731293353 677339710 /nfs/dbraw/zinc/33/97/10/677339710.db2.gz VZXYNOQPOBFKMP-UHFFFAOYSA-N -1 0 300.402 -0.488 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ncoc1C1CC1 ZINC001031205046 677343379 /nfs/dbraw/zinc/34/33/79/677343379.db2.gz XYHIIBVUKQLPAC-UHFFFAOYSA-N -1 0 304.310 -0.010 20 0 DBADRM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cc(=O)[nH][n-]2)C[C@@H](C)O1 ZINC000731871243 677346354 /nfs/dbraw/zinc/34/63/54/677346354.db2.gz HQLVIWJOSXLZHH-UTUOFQBUSA-N -1 0 308.382 -0.038 20 0 DBADRM C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(=O)[nH][n-]2)C1=O ZINC000731864631 677346357 /nfs/dbraw/zinc/34/63/57/677346357.db2.gz ARDADQOHUMCMHO-CQSZACIVSA-N -1 0 315.289 -0.639 20 0 DBADRM COC(=O)CSCCC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000731880636 677346841 /nfs/dbraw/zinc/34/68/41/677346841.db2.gz SJIIXVWTRVUWTO-QMMMGPOBSA-N -1 0 315.355 -0.604 20 0 DBADRM CCCS(=O)(=O)NC1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000731869040 677347015 /nfs/dbraw/zinc/34/70/15/677347015.db2.gz JIOJAZDXEMJHCM-UHFFFAOYSA-N -1 0 316.383 -0.817 20 0 DBADRM O=C(NCc1nnn[n-]1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000731886642 677347466 /nfs/dbraw/zinc/34/74/66/677347466.db2.gz ALKXDNBHOXEIQY-UHFFFAOYSA-N -1 0 313.321 -0.006 20 0 DBADRM CN(C)c1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cn1 ZINC000732090168 677350527 /nfs/dbraw/zinc/35/05/27/677350527.db2.gz OYNUUVOVEFAGIR-JTQLQIEISA-N -1 0 303.326 -0.126 20 0 DBADRM COc1ncnc(OC)c1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732089235 677350645 /nfs/dbraw/zinc/35/06/45/677350645.db2.gz MABQZBVUWFRQHD-SSDOTTSWSA-N -1 0 321.297 -0.779 20 0 DBADRM C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732090445 677350684 /nfs/dbraw/zinc/35/06/84/677350684.db2.gz WTVCYVYTTXSDKX-MWLCHTKSSA-N -1 0 322.369 -0.206 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CC1=O ZINC000732088726 677350791 /nfs/dbraw/zinc/35/07/91/677350791.db2.gz GFPJKICHHPYLMB-QWRGUYRKSA-N -1 0 322.369 -0.396 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732091321 677350859 /nfs/dbraw/zinc/35/08/59/677350859.db2.gz ZFLLNRAXSIMLPS-GHMZBOCLSA-N -1 0 322.369 -0.253 20 0 DBADRM CC(C)(C)N1C[C@H](C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CC1=O ZINC000732090980 677350866 /nfs/dbraw/zinc/35/08/66/677350866.db2.gz WUZWFIHHAPCXHF-ZJUUUORDSA-N -1 0 322.369 -0.253 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732090280 677350944 /nfs/dbraw/zinc/35/09/44/677350944.db2.gz RXJOUYJQGDNXNP-IUCAKERBSA-N -1 0 312.355 -0.979 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001031220892 677351284 /nfs/dbraw/zinc/35/12/84/677351284.db2.gz VWRCMVGVSBLZRK-AWEZNQCLSA-N -1 0 322.369 -0.931 20 0 DBADRM C=CC(=O)NCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000732101860 677351374 /nfs/dbraw/zinc/35/13/74/677351374.db2.gz LOONRYPZHCVUOZ-UHFFFAOYSA-N -1 0 303.278 -0.532 20 0 DBADRM CC(=O)N1C[C@H](C(=O)NCc2nnn[n-]2)Oc2ccccc21 ZINC000732157960 677351595 /nfs/dbraw/zinc/35/15/95/677351595.db2.gz MUPUAPPEUQXUGC-LLVKDONJSA-N -1 0 302.294 -0.370 20 0 DBADRM CS(=O)(=O)Nc1ccc(CNC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000732272531 677352835 /nfs/dbraw/zinc/35/28/35/677352835.db2.gz VZGPLNYIDJTYDS-UHFFFAOYSA-N -1 0 310.335 -0.450 20 0 DBADRM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cc(=O)[nH][n-]2)C1 ZINC000732277772 677352997 /nfs/dbraw/zinc/35/29/97/677352997.db2.gz OVOBZSLLGCACMN-ZJUUUORDSA-N -1 0 310.354 -0.748 20 0 DBADRM O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1cc(=O)[nH][n-]1 ZINC000732287974 677353344 /nfs/dbraw/zinc/35/33/44/677353344.db2.gz KGRDCNUATIVVPQ-ZETCQYMHSA-N -1 0 313.260 -0.303 20 0 DBADRM C[C@@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993296759 677356752 /nfs/dbraw/zinc/35/67/52/677356752.db2.gz IVUJURFWKIXJRJ-RKDXNWHRSA-N -1 0 320.357 -0.578 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1cncc(O)c1 ZINC000732392081 677357412 /nfs/dbraw/zinc/35/74/12/677357412.db2.gz TYKFNYWDQDHGMM-MRVPVSSYSA-N -1 0 311.294 -0.195 20 0 DBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)CCC(C)C)CC1=O ZINC000732511733 677362440 /nfs/dbraw/zinc/36/24/40/677362440.db2.gz BGCINPCDHUZVPB-NSHDSACASA-N -1 0 320.411 -0.027 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CNC(=O)Nc1ccccc1 ZINC000732520624 677363486 /nfs/dbraw/zinc/36/34/86/677363486.db2.gz DDQJCBDIHUVUOS-UHFFFAOYSA-N -1 0 315.351 -0.100 20 0 DBADRM C[C@H]1[C@@H](NC(=O)c2cn[nH]n2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993542291 677380146 /nfs/dbraw/zinc/38/01/46/677380146.db2.gz NQWOXTOQEAOEKT-YUMQZZPRSA-N -1 0 306.330 -0.589 20 0 DBADRM C[C@H]1[C@@H](NC(=O)c2nnc[nH]2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994017897 677399082 /nfs/dbraw/zinc/39/90/82/677399082.db2.gz HAHNMUIWIDBJCZ-YUMQZZPRSA-N -1 0 306.330 -0.589 20 0 DBADRM C[C@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994104419 677406408 /nfs/dbraw/zinc/40/64/08/677406408.db2.gz UXQDTPMLGIGNNH-UWVGGRQHSA-N -1 0 319.369 -0.055 20 0 DBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)CC(C)(C)C)c1=O ZINC000733054854 677412497 /nfs/dbraw/zinc/41/24/97/677412497.db2.gz MHLOQAWLRHEKCK-UHFFFAOYSA-N -1 0 317.367 -0.961 20 0 DBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C)CC1=O ZINC000733054880 677412538 /nfs/dbraw/zinc/41/25/38/677412538.db2.gz NCALYLFLFFLFGZ-SNVBAGLBSA-N -1 0 320.411 -0.027 20 0 DBADRM Cc1cc(CN2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)sn1 ZINC001031314854 677416545 /nfs/dbraw/zinc/41/65/45/677416545.db2.gz LKGWFAHJELZALF-UHFFFAOYSA-N -1 0 324.366 -0.545 20 0 DBADRM Cc1nn(C)c(F)c1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031323952 677419862 /nfs/dbraw/zinc/41/98/62/677419862.db2.gz SKKMALYBGAOXPF-UHFFFAOYSA-N -1 0 309.305 -0.694 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031379436 677438303 /nfs/dbraw/zinc/43/83/03/677438303.db2.gz VUWZUUHXVBPVDX-UHFFFAOYSA-N -1 0 305.342 -0.607 20 0 DBADRM Cc1noc(C)c1CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031377911 677438451 /nfs/dbraw/zinc/43/84/51/677438451.db2.gz DJPGAAKVSMVVKG-UHFFFAOYSA-N -1 0 306.326 -0.342 20 0 DBADRM COc1ccc(OC)c([C@H](O)CNC(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000918322351 677454681 /nfs/dbraw/zinc/45/46/81/677454681.db2.gz WAEVWGIHBHKZOH-SECBINFHSA-N -1 0 308.294 -0.009 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1COc2ccccc21 ZINC001031478295 677456277 /nfs/dbraw/zinc/45/62/77/677456277.db2.gz ISVWPUVMLXMXKN-NSHDSACASA-N -1 0 315.333 -0.013 20 0 DBADRM CO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000918482316 677457530 /nfs/dbraw/zinc/45/75/30/677457530.db2.gz MOQZZQYJVUHZQH-MRVPVSSYSA-N -1 0 311.323 -0.498 20 0 DBADRM C[C@H](O)[C@H](NS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-] ZINC000918741124 677461294 /nfs/dbraw/zinc/46/12/94/677461294.db2.gz SGFFMDNCLOAXJR-WKEGUHRASA-N -1 0 315.303 -0.531 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000918846881 677462993 /nfs/dbraw/zinc/46/29/93/677462993.db2.gz VITHPEYBPFXWLF-UWVGGRQHSA-N -1 0 300.359 -0.390 20 0 DBADRM O=S(=O)(N[C@H](CO)CN1CCOCC1)c1ccccc1[O-] ZINC000918972155 677465335 /nfs/dbraw/zinc/46/53/35/677465335.db2.gz QKACSKLLABYQPX-NSHDSACASA-N -1 0 316.379 -0.636 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC[S@](=O)Cc1ccccc1 ZINC000919249720 677470268 /nfs/dbraw/zinc/47/02/68/677470268.db2.gz PPFDKPNVWZZWJD-NRFANRHFSA-N -1 0 313.379 -0.088 20 0 DBADRM Cc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001031570384 677471065 /nfs/dbraw/zinc/47/10/65/677471065.db2.gz QDDIBTYQCGCRHP-UHFFFAOYSA-N -1 0 305.342 -0.586 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000919669949 677478442 /nfs/dbraw/zinc/47/84/42/677478442.db2.gz FWBCPRUPUMBIIK-VIFPVBQESA-N -1 0 305.400 -0.006 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)[N-]S(=O)(=O)N1CCCC1 ZINC000919670362 677478657 /nfs/dbraw/zinc/47/86/57/677478657.db2.gz ZNSFCVWNBYTYHU-UHFFFAOYSA-N -1 0 319.383 -0.918 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCCCC2)C1 ZINC000919671140 677479064 /nfs/dbraw/zinc/47/90/64/677479064.db2.gz MLCGMVLSISMAPI-JTQLQIEISA-N -1 0 318.399 -0.376 20 0 DBADRM CCN1CC[C@@H](N2CC(CNC(=O)c3[nH]nc(C)c3[O-])C2)C1=O ZINC001031615873 677480589 /nfs/dbraw/zinc/48/05/89/677480589.db2.gz HYAXQAQQCNHQQC-LLVKDONJSA-N -1 0 321.381 -0.294 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN([C@H]3CCN(C)C3=O)C2)c1[O-] ZINC001031616045 677480879 /nfs/dbraw/zinc/48/08/79/677480879.db2.gz MBCPQLUZRKSOSI-JTQLQIEISA-N -1 0 307.354 -0.684 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(Cc3nonc3C)C2)c1[O-] ZINC001031617871 677481182 /nfs/dbraw/zinc/48/11/82/677481182.db2.gz SRQCCBXHNNKBBS-UHFFFAOYSA-N -1 0 306.326 -0.023 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1C[C@@H]1C(F)F ZINC001031642221 677489469 /nfs/dbraw/zinc/48/94/69/677489469.db2.gz DLUVBQAGKVAJRE-YUMQZZPRSA-N -1 0 301.297 -0.041 20 0 DBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000920104559 677490142 /nfs/dbraw/zinc/49/01/42/677490142.db2.gz XJCYQTPTNYNRGE-UHFFFAOYSA-N -1 0 309.340 -0.184 20 0 DBADRM CN1CCOC[C@@]1(CO)CNS(=O)(=O)c1ccccc1[O-] ZINC000921338585 677502298 /nfs/dbraw/zinc/50/22/98/677502298.db2.gz LOYKZUOYDVNWLR-ZDUSSCGKSA-N -1 0 316.379 -0.636 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2 ZINC000921380278 677503299 /nfs/dbraw/zinc/50/32/99/677503299.db2.gz OTQLUUYTCUNLQF-MMWGEVLESA-N -1 0 307.368 -0.196 20 0 DBADRM CCN1CCC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)CC)C1=O ZINC000921490550 677505661 /nfs/dbraw/zinc/50/56/61/677505661.db2.gz MKRJQFMGKKSRTM-YYSFKGJASA-N -1 0 311.429 -0.051 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000921493425 677505707 /nfs/dbraw/zinc/50/57/07/677505707.db2.gz NWFKDTHUKLFUOG-RYUDHWBXSA-N -1 0 314.386 -0.393 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)N(C)C(C)C)C(=O)[O-] ZINC000233690839 677511881 /nfs/dbraw/zinc/51/18/81/677511881.db2.gz HMXUQBVYQCBIKC-VIFPVBQESA-N -1 0 310.372 -0.043 20 0 DBADRM O=C(/C=C/C1CC1)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938349285 677516023 /nfs/dbraw/zinc/51/60/23/677516023.db2.gz CURYZHWRQQTCCH-NWALNABHSA-N -1 0 319.321 -0.420 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938400331 677519683 /nfs/dbraw/zinc/51/96/83/677519683.db2.gz XDWDJPNHDUVDRR-LLGDCAAFSA-N -1 0 320.349 -0.217 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)C2CC=CC2)C1 ZINC000938388655 677519891 /nfs/dbraw/zinc/51/98/91/677519891.db2.gz HFMZSJIXZUFVJM-JTQLQIEISA-N -1 0 321.337 -0.627 20 0 DBADRM CC1(CC(=O)N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000938388382 677519942 /nfs/dbraw/zinc/51/99/42/677519942.db2.gz RBFUUTXRUJUIKT-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938408533 677523048 /nfs/dbraw/zinc/52/30/48/677523048.db2.gz IRCJFXCPECGXDM-GJMOJQLCSA-N -1 0 307.310 -0.731 20 0 DBADRM CC(=O)N(C)[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000938530416 677534523 /nfs/dbraw/zinc/53/45/23/677534523.db2.gz OGZIODZLUKFCLL-JTQLQIEISA-N -1 0 303.322 -0.285 20 0 DBADRM CC(=O)N(C)[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000938832386 677556864 /nfs/dbraw/zinc/55/68/64/677556864.db2.gz BRUDURHCWIVJCT-VIFPVBQESA-N -1 0 309.326 -0.705 20 0 DBADRM CC[C@H]1CN(C(C)=O)CC[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000948174892 677560961 /nfs/dbraw/zinc/56/09/61/677560961.db2.gz AZCOWJGGNDGFPY-UWVGGRQHSA-N -1 0 311.342 -0.548 20 0 DBADRM CN(C(=O)C1(C)CC1)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938943251 677564742 /nfs/dbraw/zinc/56/47/42/677564742.db2.gz WMCLFNXXONXROD-QMMMGPOBSA-N -1 0 321.337 -0.244 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)[C@H]1CC12CC2 ZINC000938973692 677565969 /nfs/dbraw/zinc/56/59/69/677565969.db2.gz YUWUSWKOILJXGN-JGVFFNPUSA-N -1 0 319.321 -0.586 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938984635 677566296 /nfs/dbraw/zinc/56/62/96/677566296.db2.gz VRGLVHIFAKMVOZ-KXUCPTDWSA-N -1 0 323.353 -0.595 20 0 DBADRM CC(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938996872 677568343 /nfs/dbraw/zinc/56/83/43/677568343.db2.gz YNIRFLGMZWRFFD-SNVBAGLBSA-N -1 0 322.365 -0.185 20 0 DBADRM CCC(=O)N(C)[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938995913 677568407 /nfs/dbraw/zinc/56/84/07/677568407.db2.gz AUKBFYWIHHTYHF-SECBINFHSA-N -1 0 308.338 -0.431 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000939012788 677570143 /nfs/dbraw/zinc/57/01/43/677570143.db2.gz ATMBTAIOKHHJIS-HRDYMLBCSA-N -1 0 321.337 -0.388 20 0 DBADRM CC(F)(F)C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000939088839 677576478 /nfs/dbraw/zinc/57/64/78/677576478.db2.gz AWAVUKNRPAVPNN-ZCFIWIBFSA-N -1 0 319.268 -0.938 20 0 DBADRM CO[C@@H]1CC[C@@H](C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001031793052 677581582 /nfs/dbraw/zinc/58/15/82/677581582.db2.gz XOMMOXSTGOPMMY-GHMZBOCLSA-N -1 0 309.370 -0.127 20 0 DBADRM CO[C@@H]1CC[C@H](C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001031793057 677581613 /nfs/dbraw/zinc/58/16/13/677581613.db2.gz XOMMOXSTGOPMMY-WDEREUQCSA-N -1 0 309.370 -0.127 20 0 DBADRM CO[C@@H]1CCC[C@@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031794337 677581751 /nfs/dbraw/zinc/58/17/51/677581751.db2.gz SPMIIEDYXYVCRT-WDEREUQCSA-N -1 0 309.370 -0.127 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)Cn3ccnc3)C2)c1[O-] ZINC000994912233 677584594 /nfs/dbraw/zinc/58/45/94/677584594.db2.gz SGOCSOCTKLCEOV-UHFFFAOYSA-N -1 0 304.310 -0.739 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C3=COCCO3)C2)c1[O-] ZINC000939247294 677587819 /nfs/dbraw/zinc/58/78/19/677587819.db2.gz GDCATZCURUXBLG-SECBINFHSA-N -1 0 322.321 -0.357 20 0 DBADRM Cc1ncc(CN2CC(CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001031816137 677599640 /nfs/dbraw/zinc/59/96/40/677599640.db2.gz ZULGMOPVLPJBOT-UHFFFAOYSA-N -1 0 320.309 -0.559 20 0 DBADRM Cc1nonc1C(=O)NC1CN(C(=O)c2ncccc2O)C1 ZINC000994938163 677601981 /nfs/dbraw/zinc/60/19/81/677601981.db2.gz IPMAZOZNAAJMQX-UHFFFAOYSA-N -1 0 303.278 -0.267 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3ccn[nH]3)C2)c1[O-] ZINC000939507682 677611205 /nfs/dbraw/zinc/61/12/05/677611205.db2.gz PZQNUBLMEPHHJO-MRVPVSSYSA-N -1 0 304.310 -0.209 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cnsn3)C2)c1[O-] ZINC000939562723 677615202 /nfs/dbraw/zinc/61/52/02/677615202.db2.gz NQVPIKNLKIMSBO-SSDOTTSWSA-N -1 0 322.350 -0.080 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NCc1ccon1 ZINC000939625406 677618031 /nfs/dbraw/zinc/61/80/31/677618031.db2.gz CLWDQIBFGMVBJN-PSASIEDQSA-N -1 0 322.325 -0.686 20 0 DBADRM COc1nccc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001031839266 677620771 /nfs/dbraw/zinc/62/07/71/677620771.db2.gz QHXDTDWPOFXJOK-UHFFFAOYSA-N -1 0 319.325 -0.829 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000939915624 677639435 /nfs/dbraw/zinc/63/94/35/677639435.db2.gz IFBPMPLTNSXWHO-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnsn3)C2)c1[O-] ZINC000940038954 677645334 /nfs/dbraw/zinc/64/53/34/677645334.db2.gz TTYGWONSPZFQEP-SSDOTTSWSA-N -1 0 322.350 -0.080 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)CC(C)(C)O)C2)c1[O-] ZINC000940043127 677645519 /nfs/dbraw/zinc/64/55/19/677645519.db2.gz XZCSHEBVRUXLCB-SECBINFHSA-N -1 0 310.354 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnon3)C2)c1[O-] ZINC000940048062 677645611 /nfs/dbraw/zinc/64/56/11/677645611.db2.gz XDUXBTPKBWQWJM-SSDOTTSWSA-N -1 0 306.282 -0.549 20 0 DBADRM O=C(C(F)F)N1CCN(C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000941267409 677770203 /nfs/dbraw/zinc/77/02/03/677770203.db2.gz GOHNSBUPPNAGCK-UHFFFAOYSA-N -1 0 316.312 -0.896 20 0 DBADRM C/C=C(\C)C(=O)N1CCN(C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000941365956 677792045 /nfs/dbraw/zinc/79/20/45/677792045.db2.gz KCVIAVBDOSQBSU-QDEBKDIKSA-N -1 0 320.397 -0.195 20 0 DBADRM COc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)nn1 ZINC000941446347 677805776 /nfs/dbraw/zinc/80/57/76/677805776.db2.gz NOUHNPPUOCOGSA-MRVPVSSYSA-N -1 0 317.309 -0.752 20 0 DBADRM Cc1nonc1CC(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000941446562 677805829 /nfs/dbraw/zinc/80/58/29/677805829.db2.gz XWRXPFOYBZIJIV-MRVPVSSYSA-N -1 0 305.298 -0.930 20 0 DBADRM O=C(COc1cccnc1)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000941442981 677807727 /nfs/dbraw/zinc/80/77/27/677807727.db2.gz FYTHPABGCSTFRY-SNVBAGLBSA-N -1 0 316.321 -0.391 20 0 DBADRM Cc1ccnc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)n1 ZINC000941442938 677808024 /nfs/dbraw/zinc/80/80/24/677808024.db2.gz DOMVMVSGVRCNHC-SECBINFHSA-N -1 0 301.310 -0.452 20 0 DBADRM Cn1ccc(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)n1 ZINC000183266425 677820940 /nfs/dbraw/zinc/82/09/40/677820940.db2.gz PUZRRWJHACTNMG-LLVKDONJSA-N -1 0 301.368 -0.022 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941791722 677852166 /nfs/dbraw/zinc/85/21/66/677852166.db2.gz CSRJSQKJIOFJFP-BWZBUEFSSA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)Cn1cccn1 ZINC000941817941 677854277 /nfs/dbraw/zinc/85/42/77/677854277.db2.gz DPIJHILEUFZGIH-WDEREUQCSA-N -1 0 319.369 -0.266 20 0 DBADRM CC1(CC(=O)N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000941940003 677864831 /nfs/dbraw/zinc/86/48/31/677864831.db2.gz RBFUUTXRUJUIKT-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM CC[C@H](C)C(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000941979830 677868628 /nfs/dbraw/zinc/86/86/28/677868628.db2.gz BQCKWAJOOQYGLW-VHSXEESVSA-N -1 0 322.365 -0.137 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000941981195 677869199 /nfs/dbraw/zinc/86/91/99/677869199.db2.gz XDWDJPNHDUVDRR-WXLQGSQKSA-N -1 0 320.349 -0.217 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1[O-] ZINC000942214349 677897748 /nfs/dbraw/zinc/89/77/48/677897748.db2.gz BGAZKXBAXSVFMV-ZNSHCXBVSA-N -1 0 320.349 -0.353 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000942216715 677898266 /nfs/dbraw/zinc/89/82/66/677898266.db2.gz QGYIQUNXUQVPOQ-HTQZYQBOSA-N -1 0 306.330 -0.731 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000942216717 677898854 /nfs/dbraw/zinc/89/88/54/677898854.db2.gz QGYIQUNXUQVPOQ-SFYZADRCSA-N -1 0 306.330 -0.731 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3ccncn3)C2)c1[O-] ZINC000942252618 677903143 /nfs/dbraw/zinc/90/31/43/677903143.db2.gz YEJKQLGNZSITNK-SECBINFHSA-N -1 0 316.321 -0.142 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC000942509211 677939490 /nfs/dbraw/zinc/93/94/90/677939490.db2.gz VUQOPAMPOQDESK-BDAKNGLRSA-N -1 0 321.337 -0.794 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000942744223 677959348 /nfs/dbraw/zinc/95/93/48/677959348.db2.gz ZIHUEPCWYAUJGG-VIFPVBQESA-N -1 0 323.353 -0.638 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)Cc1c[nH]cn1 ZINC000943174408 677982229 /nfs/dbraw/zinc/98/22/29/677982229.db2.gz CPRIHMVJTQIAKU-ONGXEEELSA-N -1 0 319.369 -0.197 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ncccc1F ZINC001032072602 677986897 /nfs/dbraw/zinc/98/68/97/677986897.db2.gz XKWBNNXPDSEEGK-UHFFFAOYSA-N -1 0 306.301 -0.094 20 0 DBADRM CCC(=O)N1CCCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000943408706 677992177 /nfs/dbraw/zinc/99/21/77/677992177.db2.gz LJDHKPMNVYSAGN-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM O=C(Cn1nccn1)N[C@H]1CC[C@H](NC(=O)c2cn[nH]n2)CC1 ZINC000943708425 678012838 /nfs/dbraw/zinc/01/28/38/678012838.db2.gz QCGVMSRRWMRLQA-MGCOHNPYSA-N -1 0 318.341 -0.746 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)Cc2nc[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947909358 678013519 /nfs/dbraw/zinc/01/35/19/678013519.db2.gz ZFNNXBBVXHMPDA-IUCAKERBSA-N -1 0 320.357 -0.660 20 0 DBADRM O=C(NC[C@H]1CCCN1C(=O)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC000943803484 678020736 /nfs/dbraw/zinc/02/07/36/678020736.db2.gz QPWRVUBUJSNITG-MRVPVSSYSA-N -1 0 307.310 -0.586 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943872899 678028439 /nfs/dbraw/zinc/02/84/39/678028439.db2.gz XKBMZSABDCYZFQ-MRVPVSSYSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H](C(N)=O)N1CC(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001032125718 678036003 /nfs/dbraw/zinc/03/60/03/678036003.db2.gz WECZXWKIWABWSP-SSDOTTSWSA-N -1 0 319.321 -0.536 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944174408 678061418 /nfs/dbraw/zinc/06/14/18/678061418.db2.gz MXDTTXXBIGOMEQ-OPRDCNLKSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)C(=O)N1CCC(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000944363184 678076062 /nfs/dbraw/zinc/07/60/62/678076062.db2.gz JGSIADBTEQCAPP-UHFFFAOYSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CCO1 ZINC000944428729 678080281 /nfs/dbraw/zinc/08/02/81/678080281.db2.gz LXCNDSAWONOPRF-VIFPVBQESA-N -1 0 320.305 -0.095 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H](CNC(=O)C3CC3)C2)c1[O-] ZINC000944429274 678080869 /nfs/dbraw/zinc/08/08/69/678080869.db2.gz VHQFQDOLBAHERV-JTQLQIEISA-N -1 0 308.338 -0.209 20 0 DBADRM CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000995565777 678116170 /nfs/dbraw/zinc/11/61/70/678116170.db2.gz KRKJFOKAERDFAV-VGMNWLOBSA-N -1 0 309.326 -0.653 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC000995568987 678116855 /nfs/dbraw/zinc/11/68/55/678116855.db2.gz ZMZHHFJNXKVZFW-VGMNWLOBSA-N -1 0 319.321 -0.446 20 0 DBADRM CCC(=O)N1CCC2(CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000944801279 678130449 /nfs/dbraw/zinc/13/04/49/678130449.db2.gz CSTWUCVTCLQTSM-UHFFFAOYSA-N -1 0 321.337 -0.243 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1ccn(C)n1 ZINC000944920226 678135818 /nfs/dbraw/zinc/13/58/18/678135818.db2.gz SKRJAJYVEJFANB-UWVGGRQHSA-N -1 0 319.369 -0.116 20 0 DBADRM CCn1nc(C)c(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001032228558 678137929 /nfs/dbraw/zinc/13/79/29/678137929.db2.gz OVDMRSCFLNJTPT-UHFFFAOYSA-N -1 0 320.357 -0.708 20 0 DBADRM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000945083801 678141832 /nfs/dbraw/zinc/14/18/32/678141832.db2.gz OCAZTMBHPRRLFD-IONNQARKSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H]1CN(C(=O)c2cnns2)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000945197397 678145114 /nfs/dbraw/zinc/14/51/14/678145114.db2.gz PUYGRCPNEKIYBW-JGVFFNPUSA-N -1 0 321.366 -0.063 20 0 DBADRM O=C(C1CCOCC1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032245952 678147766 /nfs/dbraw/zinc/14/77/66/678147766.db2.gz BWFFRAINGYRHSH-QWRGUYRKSA-N -1 0 307.354 -0.278 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@@H]1NC(=O)C1CC1 ZINC000945433206 678155605 /nfs/dbraw/zinc/15/56/05/678155605.db2.gz VCWGAUYMSITKNE-CBAPKCEASA-N -1 0 321.337 -0.340 20 0 DBADRM CCC(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000945433473 678155637 /nfs/dbraw/zinc/15/56/37/678155637.db2.gz RWTIXVDLOSISLX-RKDXNWHRSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000945654026 678169143 /nfs/dbraw/zinc/16/91/43/678169143.db2.gz UHFPMEMOVJLDNB-MWLCHTKSSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000945694129 678171570 /nfs/dbraw/zinc/17/15/70/678171570.db2.gz GHBXBJPPEQBVOS-BXKDBHETSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000945791416 678175232 /nfs/dbraw/zinc/17/52/32/678175232.db2.gz WMYXPCFJWZSIJD-WCBMZHEXSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2[C@@H](C)CCCN2C(=O)C(N)=O)c1[O-] ZINC000945802254 678176846 /nfs/dbraw/zinc/17/68/46/678176846.db2.gz QVZJGQXBGQZMNZ-IONNQARKSA-N -1 0 323.353 -0.734 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)Cn1ccnc1 ZINC000945807409 678177573 /nfs/dbraw/zinc/17/75/73/678177573.db2.gz JBTYVCIYCXJSKA-WDEREUQCSA-N -1 0 319.369 -0.266 20 0 DBADRM CCC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000945816199 678179516 /nfs/dbraw/zinc/17/95/16/678179516.db2.gz RMXGNRVKTKLUQZ-IUCAKERBSA-N -1 0 321.337 -0.244 20 0 DBADRM CC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000945816955 678179567 /nfs/dbraw/zinc/17/95/67/678179567.db2.gz XQFUGQNSJVRRGR-JQWIXIFHSA-N -1 0 320.349 -0.431 20 0 DBADRM CC(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC[C@H]21 ZINC000945995283 678190846 /nfs/dbraw/zinc/19/08/46/678190846.db2.gz CMYPDNGHDNKJIN-NXEZZACHSA-N -1 0 309.326 -0.841 20 0 DBADRM CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000946068564 678198076 /nfs/dbraw/zinc/19/80/76/678198076.db2.gz KNEKVORNRPWGQX-MWLCHTKSSA-N -1 0 308.338 -0.480 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(N)=O)c1[O-] ZINC000996091540 678216826 /nfs/dbraw/zinc/21/68/26/678216826.db2.gz ZMHIOIDAKHEXCL-VGMNWLOBSA-N -1 0 321.337 -0.839 20 0 DBADRM COCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C)c1[O-])C2 ZINC000996079891 678216971 /nfs/dbraw/zinc/21/69/71/678216971.db2.gz IZAQDSMZCJPZQA-UTLUCORTSA-N -1 0 308.338 -0.068 20 0 DBADRM Cc1ncncc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032296645 678231481 /nfs/dbraw/zinc/23/14/81/678231481.db2.gz ZYEXCFYOUCMVTJ-UWVGGRQHSA-N -1 0 315.337 -0.292 20 0 DBADRM CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[n-]n3c1nccc3=O)C2 ZINC000996505228 678253275 /nfs/dbraw/zinc/25/32/75/678253275.db2.gz HAZMDCBWWKTKNH-USWWRNFRSA-N -1 0 315.333 -0.096 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC000733715035 678253376 /nfs/dbraw/zinc/25/33/76/678253376.db2.gz ODSHJJCZPVWQET-JTQLQIEISA-N -1 0 302.352 -0.281 20 0 DBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)CC1CC1 ZINC000733703532 678254020 /nfs/dbraw/zinc/25/40/20/678254020.db2.gz RDOZDDFRNQGBMQ-UHFFFAOYSA-N -1 0 322.346 -0.353 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H](C(C)C)N1CCCC1=O ZINC000733699556 678254363 /nfs/dbraw/zinc/25/43/63/678254363.db2.gz VAEDUDURHNMNGC-NSHDSACASA-N -1 0 306.384 -0.274 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000733718793 678255706 /nfs/dbraw/zinc/25/57/06/678255706.db2.gz XXJODEKROZRMSJ-BDAKNGLRSA-N -1 0 318.351 -0.121 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733720366 678255725 /nfs/dbraw/zinc/25/57/25/678255725.db2.gz FFBYDOHSRSKCOL-DTWKUNHWSA-N -1 0 316.335 -0.367 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1 ZINC000733714078 678255876 /nfs/dbraw/zinc/25/58/76/678255876.db2.gz BCGYLSRJRPWQKC-QMMMGPOBSA-N -1 0 300.336 -0.120 20 0 DBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cn1 ZINC000733722109 678256099 /nfs/dbraw/zinc/25/60/99/678256099.db2.gz KIXJHLTZDJSIAR-SECBINFHSA-N -1 0 313.335 -0.710 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733722004 678256105 /nfs/dbraw/zinc/25/61/05/678256105.db2.gz MTHIEDRLCPOEFA-VIFPVBQESA-N -1 0 306.384 -0.226 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)C1CCCC1 ZINC000733721686 678256234 /nfs/dbraw/zinc/25/62/34/678256234.db2.gz CNZHOLAVBNTLPA-VXGBXAGGSA-N -1 0 318.395 -0.084 20 0 DBADRM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)nn1C ZINC001032304074 678263929 /nfs/dbraw/zinc/26/39/29/678263929.db2.gz UFKZTLCACBETKQ-UWVGGRQHSA-N -1 0 317.353 -0.349 20 0 DBADRM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001032304056 678263941 /nfs/dbraw/zinc/26/39/41/678263941.db2.gz SLAWJQBORQZFLO-UWVGGRQHSA-N -1 0 317.353 -0.349 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000734452115 678287263 /nfs/dbraw/zinc/28/72/63/678287263.db2.gz FJNZHGXJDWIFPG-UHFFFAOYSA-N -1 0 307.310 -0.471 20 0 DBADRM O=C(CCC1CCC1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996738039 678288301 /nfs/dbraw/zinc/28/83/01/678288301.db2.gz YCOJHTYYBXFZNA-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM Cc1cc[nH]c1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996737958 678288337 /nfs/dbraw/zinc/28/83/37/678288337.db2.gz XJGIJIIZCZEZFP-UHFFFAOYSA-N -1 0 318.293 -0.826 20 0 DBADRM CC(C)[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996737027 678289857 /nfs/dbraw/zinc/28/98/57/678289857.db2.gz RVCAEPNTWOEHMH-DTWKUNHWSA-N -1 0 321.337 -0.485 20 0 DBADRM CC(C)[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996737010 678290265 /nfs/dbraw/zinc/29/02/65/678290265.db2.gz RVCAEPNTWOEHMH-BDAKNGLRSA-N -1 0 321.337 -0.485 20 0 DBADRM C/C(=C\C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000996742151 678290962 /nfs/dbraw/zinc/29/09/62/678290962.db2.gz AKJQEZNYSSJXGK-QPJJXVBHSA-N -1 0 319.321 -0.420 20 0 DBADRM O=C(NC1CN(C(=O)c2ccsc2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996742897 678290981 /nfs/dbraw/zinc/29/09/81/678290981.db2.gz FHJIYVPSYQZCKF-UHFFFAOYSA-N -1 0 321.318 -0.401 20 0 DBADRM CC(C)C1(C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000996746080 678291046 /nfs/dbraw/zinc/29/10/46/678291046.db2.gz QLHDHNPWRHGMQK-UHFFFAOYSA-N -1 0 321.337 -0.340 20 0 DBADRM CC1(C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC=CC1 ZINC000996746298 678291493 /nfs/dbraw/zinc/29/14/93/678291493.db2.gz UCUVOKCPFKWKSF-UHFFFAOYSA-N -1 0 319.321 -0.420 20 0 DBADRM C[C@@H](CC(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000996755015 678291519 /nfs/dbraw/zinc/29/15/19/678291519.db2.gz QWCNWYRINLBCTK-ZETCQYMHSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(NC1CN(C(=O)C2CC3(CC3)C2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996746850 678291537 /nfs/dbraw/zinc/29/15/37/678291537.db2.gz VOWJUCCGUXYNMP-UHFFFAOYSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C(CC1CCC1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996746791 678291724 /nfs/dbraw/zinc/29/17/24/678291724.db2.gz UMGWMRGYOWEGLG-UHFFFAOYSA-N -1 0 307.310 -0.586 20 0 DBADRM O=C(Cc1cc[nH]n1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032327974 678303389 /nfs/dbraw/zinc/30/33/89/678303389.db2.gz JXCXBTUIZBTGIC-UWVGGRQHSA-N -1 0 303.326 -0.739 20 0 DBADRM O=C(CNC(=O)c1cccs1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000735273201 678323588 /nfs/dbraw/zinc/32/35/88/678323588.db2.gz QUDNEUPEMBPXGX-QMMMGPOBSA-N -1 0 322.350 -0.409 20 0 DBADRM COc1cc(OC)cc([C@H](O)CNC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000735693945 678341544 /nfs/dbraw/zinc/34/15/44/678341544.db2.gz OJKKLYHUXHWWJP-GFCCVEGCSA-N -1 0 307.306 -0.271 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H]2CCNC2=O)c1[O-] ZINC001032356548 678341869 /nfs/dbraw/zinc/34/18/69/678341869.db2.gz VLQNZAFTAGWYIV-GUBZILKMSA-N -1 0 305.338 -0.789 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000735759642 678344057 /nfs/dbraw/zinc/34/40/57/678344057.db2.gz UTZSZSONWALMMU-SNVBAGLBSA-N -1 0 310.358 -0.348 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)OCC ZINC000735771270 678344973 /nfs/dbraw/zinc/34/49/73/678344973.db2.gz FSKUJOMMCZGVBC-UWVGGRQHSA-N -1 0 322.383 -0.200 20 0 DBADRM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001032363358 678350424 /nfs/dbraw/zinc/35/04/24/678350424.db2.gz IGDZGTHHDYLBMY-GUBZILKMSA-N -1 0 318.341 -0.852 20 0 DBADRM CO[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001032382887 678385058 /nfs/dbraw/zinc/38/50/58/678385058.db2.gz IMMZYXNFIGZQGG-NHCYSSNCSA-N -1 0 307.354 -0.280 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N(CCN1CCOCC1)CC1CC1 ZINC000888321227 678393659 /nfs/dbraw/zinc/39/36/59/678393659.db2.gz MLADESAWDSCAMY-UHFFFAOYSA-N -1 0 323.401 -0.309 20 0 DBADRM O=C(CO[C@@H]1CCOC1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032401550 678398382 /nfs/dbraw/zinc/39/83/82/678398382.db2.gz RIXHIONBSPKDJF-GARJFASQSA-N -1 0 323.353 -0.899 20 0 DBADRM CC[C@]1(C)C[C@@H]1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997258476 678423493 /nfs/dbraw/zinc/42/34/93/678423493.db2.gz PUKVARJTCHDQIV-YMTOWFKASA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)CC2CCC2)C1 ZINC000997264575 678424132 /nfs/dbraw/zinc/42/41/32/678424132.db2.gz JZRXHKHEKNUSKH-UHFFFAOYSA-N -1 0 309.326 -0.794 20 0 DBADRM C[C@@H](NC(=O)c1cnon1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000997357015 678434456 /nfs/dbraw/zinc/43/44/56/678434456.db2.gz CHOBKJQSEWLUSY-MRVPVSSYSA-N -1 0 321.341 -0.076 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000888325647 678434508 /nfs/dbraw/zinc/43/45/08/678434508.db2.gz RPIAJSYDDRZLPC-NSHDSACASA-N -1 0 309.374 -0.557 20 0 DBADRM CCC1(C(=O)N2CC(NC(=O)c3cnc([O-])n(C)c3=O)C2)CC1 ZINC000997361548 678435362 /nfs/dbraw/zinc/43/53/62/678435362.db2.gz PPKOCSSIPHJDKI-UHFFFAOYSA-N -1 0 320.349 -0.383 20 0 DBADRM CC(C)[C@H](C)C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997361558 678435487 /nfs/dbraw/zinc/43/54/87/678435487.db2.gz PRHZQKWWBLMBQI-VIFPVBQESA-N -1 0 322.365 -0.281 20 0 DBADRM O=C(c1cnc[nH]c1=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032466493 678446659 /nfs/dbraw/zinc/44/66/59/678446659.db2.gz IHRFBOZLHWMIAS-YUMQZZPRSA-N -1 0 317.309 -0.895 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000888328349 678463502 /nfs/dbraw/zinc/46/35/02/678463502.db2.gz LCPRAQLZSCKZBU-UHFFFAOYSA-N -1 0 311.390 -0.311 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000888330355 678463768 /nfs/dbraw/zinc/46/37/68/678463768.db2.gz UGASQQPQITVHCM-JTQLQIEISA-N -1 0 309.374 -0.165 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000888333064 678464325 /nfs/dbraw/zinc/46/43/25/678464325.db2.gz RPIAJSYDDRZLPC-LLVKDONJSA-N -1 0 309.374 -0.557 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000888335464 678465174 /nfs/dbraw/zinc/46/51/74/678465174.db2.gz BIPABWZTPCXLPT-GFCCVEGCSA-N -1 0 323.401 -0.167 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(CC(F)(F)F)CC1 ZINC000888341578 678466465 /nfs/dbraw/zinc/46/64/65/678466465.db2.gz JNQSCIXHGIFEAH-UHFFFAOYSA-N -1 0 307.280 -0.173 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(c2ccccn2)CC1 ZINC000888345343 678468100 /nfs/dbraw/zinc/46/81/00/678468100.db2.gz VVZJWNSEYGUISF-UHFFFAOYSA-N -1 0 302.342 -0.136 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H](C)CO3)C2)c1[O-] ZINC000997494992 678469854 /nfs/dbraw/zinc/46/98/54/678469854.db2.gz MJSOXXIIHQYPPO-XVKPBYJWSA-N -1 0 308.338 -0.211 20 0 DBADRM CC[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(=O)[n-]c1=O)OC ZINC001032499023 678478537 /nfs/dbraw/zinc/47/85/37/678478537.db2.gz PHYCPHLRKLYMEO-LPEHRKFASA-N -1 0 323.353 -0.394 20 0 DBADRM CC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000946414055 678531955 /nfs/dbraw/zinc/53/19/55/678531955.db2.gz WZBRFQJQYIGVFB-RKDXNWHRSA-N -1 0 309.326 -0.293 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)Cc3cnoc3)C2)c1[O-] ZINC000998064601 678553810 /nfs/dbraw/zinc/55/38/10/678553810.db2.gz KFJHGIYAZWIAOR-UHFFFAOYSA-N -1 0 305.294 -0.405 20 0 DBADRM Cc1nocc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032599092 678556258 /nfs/dbraw/zinc/55/62/58/678556258.db2.gz IORMDWUQQUJYJL-IUCAKERBSA-N -1 0 304.310 -0.094 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@@H]3CCO[C@H]3C)C2)c1[O-] ZINC000998397936 678596110 /nfs/dbraw/zinc/59/61/10/678596110.db2.gz MIEXFTOTTMHGOH-WCBMZHEXSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CC(NCc3nnnn3C)C2)c1[O-] ZINC000998642923 678621822 /nfs/dbraw/zinc/62/18/22/678621822.db2.gz RFIKWFPZMKQEHE-UHFFFAOYSA-N -1 0 320.357 -0.660 20 0 DBADRM CC[C@]1(C)C[C@@H]1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000998882607 678652770 /nfs/dbraw/zinc/65/27/70/678652770.db2.gz QUIAVCGDIWMTSP-YMTOWFKASA-N -1 0 323.353 -0.548 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1c(F)cc(OC)cc1F ZINC000921686362 678736680 /nfs/dbraw/zinc/73/66/80/678736680.db2.gz IXQNQVTURLJGTD-UHFFFAOYSA-N -1 0 310.278 -0.071 20 0 DBADRM CC(=O)NCc1cn([C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC000999937910 678767370 /nfs/dbraw/zinc/76/73/70/678767370.db2.gz KIAXKOWBKQUWQM-SNVBAGLBSA-N -1 0 306.330 -0.815 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)C[C@@H](Cc1ccccc1)OC ZINC000921687950 678772448 /nfs/dbraw/zinc/77/24/48/678772448.db2.gz NMPUMFVEWHLYNT-GFCCVEGCSA-N -1 0 316.379 -0.159 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@H]3OCC[C@H]3C)C2)c1[O-] ZINC000999972923 678774099 /nfs/dbraw/zinc/77/40/99/678774099.db2.gz UYHIHDUNEJQWED-KRTXAFLBSA-N -1 0 308.338 -0.211 20 0 DBADRM Cn1cncc1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032733483 678802524 /nfs/dbraw/zinc/80/25/24/678802524.db2.gz WRZNHUSNRXRBNM-QWRGUYRKSA-N -1 0 317.353 -0.728 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCCO2)cc1C(N)=O ZINC000756218505 678815962 /nfs/dbraw/zinc/81/59/62/678815962.db2.gz ZXQUXYWYRDEEFI-GFCCVEGCSA-N -1 0 315.351 -0.502 20 0 DBADRM CCC1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)COC1 ZINC000756216989 678816158 /nfs/dbraw/zinc/81/61/58/678816158.db2.gz HMITXSWLLHLWJI-UHFFFAOYSA-N -1 0 315.351 -0.645 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCCO1 ZINC001000414137 678839285 /nfs/dbraw/zinc/83/92/85/678839285.db2.gz XMRYHQCDIKBFTM-NSHDSACASA-N -1 0 307.354 -0.062 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCC[C@@H]([NH2+]CCF)C1 ZINC001000478307 678845507 /nfs/dbraw/zinc/84/55/07/678845507.db2.gz DHTKHPNGOUVMDP-SNVBAGLBSA-N -1 0 322.344 -0.379 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccn[nH]1 ZINC001000471116 678845917 /nfs/dbraw/zinc/84/59/17/678845917.db2.gz QGLWSYSMEWUECP-UHFFFAOYSA-N -1 0 303.326 -0.205 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1CC(CNC(=O)C2CC2)C1 ZINC001000599126 678858544 /nfs/dbraw/zinc/85/85/44/678858544.db2.gz PDIYLXKNMJVEIX-UHFFFAOYSA-N -1 0 321.337 -0.800 20 0 DBADRM Cn1nncc1C(=O)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001000641852 678861066 /nfs/dbraw/zinc/86/10/66/678861066.db2.gz CIDJZDOFEUAPDF-UHFFFAOYSA-N -1 0 318.341 -0.799 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@]12C[C@H]1COC2 ZINC001000716122 678867468 /nfs/dbraw/zinc/86/74/68/678867468.db2.gz VIVOFOORJLGJPV-NHYWBVRUSA-N -1 0 319.365 -0.205 20 0 DBADRM Cc1cc(C(=O)NCC2CN(C(=O)c3cnc[nH]c3=O)C2)no1 ZINC001000831344 678875624 /nfs/dbraw/zinc/87/56/24/678875624.db2.gz LLSIEAHPAQXCJI-UHFFFAOYSA-N -1 0 317.305 -0.019 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3ccn[nH]3)C2)c1[O-] ZINC001001008041 678888931 /nfs/dbraw/zinc/88/89/31/678888931.db2.gz VAVUDQFKGWZRFG-UHFFFAOYSA-N -1 0 304.310 -0.351 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccnnc1 ZINC001001196986 678912391 /nfs/dbraw/zinc/91/23/91/678912391.db2.gz CBGJSPXLRVHJJE-UHFFFAOYSA-N -1 0 315.337 -0.138 20 0 DBADRM Cc1ncc(C(=O)NCC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)[nH]1 ZINC001001189298 678914410 /nfs/dbraw/zinc/91/44/10/678914410.db2.gz AXPIPCYVZPYOEM-UHFFFAOYSA-N -1 0 318.337 -0.043 20 0 DBADRM O=C(NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1=CCCC1 ZINC001001410212 678931558 /nfs/dbraw/zinc/93/15/58/678931558.db2.gz JTOHWKOFJGGILI-UHFFFAOYSA-N -1 0 319.321 -0.419 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3ccncn3)C2)c1[O-] ZINC001001458487 678933558 /nfs/dbraw/zinc/93/35/58/678933558.db2.gz MGKWPWXLPCUDHB-UHFFFAOYSA-N -1 0 316.321 -0.284 20 0 DBADRM Cc1c[nH]c(C(=O)N2CC(CNC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001001462238 678933723 /nfs/dbraw/zinc/93/37/23/678933723.db2.gz HBAHZKCIEIPFMI-UHFFFAOYSA-N -1 0 318.337 -0.043 20 0 DBADRM CC1(C)C[C@H]1C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001001466313 678934445 /nfs/dbraw/zinc/93/44/45/678934445.db2.gz MDHDGBNBECRCSH-QMMMGPOBSA-N -1 0 321.337 -0.483 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3cn[nH]c3)C2)c1[O-] ZINC001001454957 678936115 /nfs/dbraw/zinc/93/61/15/678936115.db2.gz LGQKZAFJLHIUSO-UHFFFAOYSA-N -1 0 304.310 -0.351 20 0 DBADRM Cc1nonc1C(=O)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001001489614 678936254 /nfs/dbraw/zinc/93/62/54/678936254.db2.gz XORDKCFKEPGOBO-UHFFFAOYSA-N -1 0 319.325 -0.236 20 0 DBADRM CC(C)C(=O)N(C)C1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001016257830 678937890 /nfs/dbraw/zinc/93/78/90/678937890.db2.gz HOELXUIKWSFJSU-UHFFFAOYSA-N -1 0 322.365 -0.139 20 0 DBADRM CC(C)C(=O)N(C)C1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016265766 678942314 /nfs/dbraw/zinc/94/23/14/678942314.db2.gz VXECSSINRTXVPH-UHFFFAOYSA-N -1 0 311.342 -0.549 20 0 DBADRM Nc1nccnc1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002485887 678984948 /nfs/dbraw/zinc/98/49/48/678984948.db2.gz UAZWGGVUSZTUPM-UHFFFAOYSA-N -1 0 318.341 -0.723 20 0 DBADRM Cn1ncc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1N ZINC001002658023 678994608 /nfs/dbraw/zinc/99/46/08/678994608.db2.gz VEFDZVDGTMOBJQ-UHFFFAOYSA-N -1 0 320.357 -0.780 20 0 DBADRM Cc1cn(C)nc1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002793768 679002328 /nfs/dbraw/zinc/00/23/28/679002328.db2.gz USNJKAVHOSNEMB-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM CCO[C@H]1C[C@H](NC(=O)NCC(=O)[N-]OC)C12CCOCC2 ZINC000922022262 679004935 /nfs/dbraw/zinc/00/49/35/679004935.db2.gz JHEOPPXSPQMRGM-QWRGUYRKSA-N -1 0 315.370 -0.063 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@]12C[C@H]1COC2 ZINC001002867846 679007025 /nfs/dbraw/zinc/00/70/25/679007025.db2.gz IMHFXZWNNYCEDJ-XPTSAGLGSA-N -1 0 307.354 -0.373 20 0 DBADRM O=C(C[C@@H]1CCNC1=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002996597 679015621 /nfs/dbraw/zinc/01/56/21/679015621.db2.gz ABMDZNBARZDBGO-VIFPVBQESA-N -1 0 322.369 -0.883 20 0 DBADRM CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnc[nH]c3=O)CC2)C1=O ZINC001003107891 679023164 /nfs/dbraw/zinc/02/31/64/679023164.db2.gz MYVJZDWORBTCIQ-GFCCVEGCSA-N -1 0 319.365 -0.393 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003393114 679037922 /nfs/dbraw/zinc/03/79/22/679037922.db2.gz GOOYQGTXILSIQZ-MRVPVSSYSA-N -1 0 321.337 -0.483 20 0 DBADRM CC(C)C(=O)N1CC(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001003547581 679048113 /nfs/dbraw/zinc/04/81/13/679048113.db2.gz MJRNKKNJBAEIMQ-UHFFFAOYSA-N -1 0 308.338 -0.670 20 0 DBADRM C/C=C(\C)C(=O)N1CC(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001003549315 679048438 /nfs/dbraw/zinc/04/84/38/679048438.db2.gz WIIZYMKDKJAKPG-RUDMXATFSA-N -1 0 320.349 -0.360 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3ccncn3)C2)c1[O-] ZINC001003789936 679067019 /nfs/dbraw/zinc/06/70/19/679067019.db2.gz FSXNSCBUDSVEDZ-UHFFFAOYSA-N -1 0 316.321 -0.284 20 0 DBADRM Cn1ncc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001003791635 679067563 /nfs/dbraw/zinc/06/75/63/679067563.db2.gz MJOHISSQUHAOLE-UHFFFAOYSA-N -1 0 306.330 -0.967 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cccnn1 ZINC001003827866 679074398 /nfs/dbraw/zinc/07/43/98/679074398.db2.gz OAKGVCZGJUHBRG-UHFFFAOYSA-N -1 0 303.326 -0.305 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)[C@@H]1C ZINC001014664227 679075795 /nfs/dbraw/zinc/07/57/95/679075795.db2.gz WKQLKSVAKRNMPV-LDYMZIIASA-N -1 0 308.338 -0.385 20 0 DBADRM Cc1cc(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001032938348 679082420 /nfs/dbraw/zinc/08/24/20/679082420.db2.gz PVQSEACAFIAGQK-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C(=O)Cc1cc[nH]n1)[C@@H]1CCN(Cc2nn(C)c(=O)[n-]2)C1 ZINC001032982412 679094488 /nfs/dbraw/zinc/09/44/88/679094488.db2.gz SKITZIKDUVAFBS-LLVKDONJSA-N -1 0 319.369 -0.893 20 0 DBADRM CN(C(=O)c1cc[nH]c(=O)c1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033001733 679096733 /nfs/dbraw/zinc/09/67/33/679096733.db2.gz OZKMYMHENXJOCV-JTQLQIEISA-N -1 0 318.337 -0.043 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(Cc3ncnn3C)C2)c1[O-] ZINC001033008672 679097876 /nfs/dbraw/zinc/09/78/76/679097876.db2.gz HOZFGHIVRGSNIH-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(CC(=O)NC3CC3)C2)c1[O-] ZINC001033010798 679098450 /nfs/dbraw/zinc/09/84/50/679098450.db2.gz VPIKEZBNTULSJX-NSHDSACASA-N -1 0 321.381 -0.151 20 0 DBADRM CN(C(=O)c1cn(C)cn1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033007346 679098487 /nfs/dbraw/zinc/09/84/87/679098487.db2.gz ZVRBSDJZQBAUHM-VIFPVBQESA-N -1 0 305.342 -0.410 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(CC(=O)N(C)C)C2)c1[O-] ZINC001033009847 679099280 /nfs/dbraw/zinc/09/92/80/679099280.db2.gz PBEKDVFKRKIODZ-SNVBAGLBSA-N -1 0 309.370 -0.342 20 0 DBADRM CN(C(=O)c1cc(=O)n(C)o1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033041910 679107494 /nfs/dbraw/zinc/10/74/94/679107494.db2.gz PRHCOOHEYVMGNQ-MRVPVSSYSA-N -1 0 322.325 -0.852 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000922559499 679117166 /nfs/dbraw/zinc/11/71/66/679117166.db2.gz CSJBPXNIJSHTHZ-SECBINFHSA-N -1 0 324.312 -0.092 20 0 DBADRM CC(C)=CC(=O)NC[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001295738981 805588461 /nfs/dbraw/zinc/58/84/61/805588461.db2.gz FREUPWCKVOYXTP-SNVBAGLBSA-N -1 0 323.353 -0.380 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1nc2c(s1)CCC2 ZINC000842314621 805589884 /nfs/dbraw/zinc/58/98/84/805589884.db2.gz ZHCIVNBBJIYITG-UHFFFAOYSA-N -1 0 317.392 -0.061 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)[nH]1 ZINC000842355670 805590435 /nfs/dbraw/zinc/59/04/35/805590435.db2.gz LCYQLFLFNSCSIQ-UHFFFAOYSA-N -1 0 318.307 -0.576 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)CCC(=O)OC ZINC000842355679 805590725 /nfs/dbraw/zinc/59/07/25/805590725.db2.gz LGJPBGZCKBUQPK-UHFFFAOYSA-N -1 0 309.340 -0.415 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)C(=O)OC(C)(C)C ZINC000842334213 805590940 /nfs/dbraw/zinc/59/09/40/805590940.db2.gz QAOHPSFGMGBECN-JGVFFNPUSA-N -1 0 323.367 -0.028 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@H]2CCCNC2=O)ccc1[O-] ZINC001295842985 805594426 /nfs/dbraw/zinc/59/44/26/805594426.db2.gz IPUAMPJAXQAIAZ-QMMMGPOBSA-N -1 0 313.335 -0.496 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccs2)S1(=O)=O ZINC000842672992 805595507 /nfs/dbraw/zinc/59/55/07/805595507.db2.gz BELNEODOVNNPMA-ZETCQYMHSA-N -1 0 324.405 -0.413 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)[C@@H]1CCCN1C(=O)C1CC1 ZINC000842697712 805596620 /nfs/dbraw/zinc/59/66/20/805596620.db2.gz QYAMIYCXEOZKKG-NSHDSACASA-N -1 0 315.395 -0.156 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)C2CCCCC2)S1(=O)=O ZINC000842703472 805597088 /nfs/dbraw/zinc/59/70/88/805597088.db2.gz WZFLTNXQMMXURW-JTQLQIEISA-N -1 0 324.424 -0.201 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CC(=O)[O-])cn1 ZINC000842697533 805597117 /nfs/dbraw/zinc/59/71/17/805597117.db2.gz WMBICKNDTBYSIU-SSDOTTSWSA-N -1 0 301.324 -0.417 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000842697529 805597385 /nfs/dbraw/zinc/59/73/85/805597385.db2.gz WGEFRLIBKUSDDW-MRVPVSSYSA-N -1 0 315.351 -0.075 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)C2CCCCC2)S1(=O)=O ZINC000842703473 805597549 /nfs/dbraw/zinc/59/75/49/805597549.db2.gz WZFLTNXQMMXURW-SNVBAGLBSA-N -1 0 324.424 -0.201 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)Cc1nc(C2CC2)nn1C ZINC000842735035 805598580 /nfs/dbraw/zinc/59/85/80/805598580.db2.gz JYJBXXXYKNVHOR-UHFFFAOYSA-N -1 0 315.399 -0.062 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCc1ccnc(C)n1 ZINC000842755645 805599141 /nfs/dbraw/zinc/59/91/41/805599141.db2.gz HSKFYAAMTCHONU-QMMMGPOBSA-N -1 0 315.351 -0.275 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C2CCC2)nn1 ZINC000842755888 805599202 /nfs/dbraw/zinc/59/92/02/805599202.db2.gz JENULVNPVBYTLH-ZETCQYMHSA-N -1 0 316.339 -0.376 20 0 DBADRM COC1(C(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)CC1 ZINC000842745051 805599537 /nfs/dbraw/zinc/59/95/37/805599537.db2.gz FVPPIUUTZXCCKR-UHFFFAOYSA-N -1 0 320.352 -0.520 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1cn(C2CCC2)nn1 ZINC000842761460 805600493 /nfs/dbraw/zinc/60/04/93/805600493.db2.gz ZXGHSANFPHEDMW-UHFFFAOYSA-N -1 0 310.339 -0.145 20 0 DBADRM CC[C@H](C)[C@H](NN(C)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000843044216 805607065 /nfs/dbraw/zinc/60/70/65/805607065.db2.gz YOWVGDIRAXVWQN-QWRGUYRKSA-N -1 0 307.416 -0.042 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NC1CCC2(CC1)OCCO2 ZINC000843256532 805613245 /nfs/dbraw/zinc/61/32/45/805613245.db2.gz GNSYHDIIWBXXFZ-UHFFFAOYSA-N -1 0 314.338 -0.231 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](C(F)F)C2)C1 ZINC000843258699 805613345 /nfs/dbraw/zinc/61/33/45/805613345.db2.gz DMZGDBQCNXJOMK-VGMNWLOBSA-N -1 0 320.292 -0.152 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC000843260454 805614303 /nfs/dbraw/zinc/61/43/03/805614303.db2.gz YEARAORHAOMSOW-VHSXEESVSA-N -1 0 323.353 -0.408 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000843304252 805617030 /nfs/dbraw/zinc/61/70/30/805617030.db2.gz DHEKCVIWVVTLSM-JTQLQIEISA-N -1 0 319.339 -0.582 20 0 DBADRM COC(=O)CCN(C(=O)COCC(=O)[O-])C1CCOCC1 ZINC000843328693 805617605 /nfs/dbraw/zinc/61/76/05/805617605.db2.gz RTLSEDNMKCIRGF-UHFFFAOYSA-N -1 0 303.311 -0.342 20 0 DBADRM C[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C(=O)[O-] ZINC000843334718 805617706 /nfs/dbraw/zinc/61/77/06/805617706.db2.gz KMHMPJGBZHOVQV-VHSXEESVSA-N -1 0 309.322 -0.504 20 0 DBADRM CN(C(=O)COCC(=O)[O-])c1ccc(N2CCOCC2)nc1 ZINC000843329840 805618112 /nfs/dbraw/zinc/61/81/12/805618112.db2.gz NYCFXAZSCZODAT-UHFFFAOYSA-N -1 0 309.322 -0.018 20 0 DBADRM C[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@@H]1C(=O)[O-] ZINC000843334721 805618135 /nfs/dbraw/zinc/61/81/35/805618135.db2.gz KMHMPJGBZHOVQV-ZJUUUORDSA-N -1 0 309.322 -0.504 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(F)cc(F)c1N ZINC001296323756 805627640 /nfs/dbraw/zinc/62/76/40/805627640.db2.gz VHZUHSSUHKIAGN-UHFFFAOYSA-N -1 0 321.305 -0.257 20 0 DBADRM Cc1cnc(F)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001296322127 805627670 /nfs/dbraw/zinc/62/76/70/805627670.db2.gz QYIFPDJSJQBWCI-UHFFFAOYSA-N -1 0 303.315 -0.275 20 0 DBADRM CCOC(=O)[C@H](CC)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001296322115 805627808 /nfs/dbraw/zinc/62/78/08/805627808.db2.gz QMWFPLGXKWELFW-MRVPVSSYSA-N -1 0 308.356 -0.842 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000843770045 805633908 /nfs/dbraw/zinc/63/39/08/805633908.db2.gz PPBRBNKWKLBRQH-UHFFFAOYSA-N -1 0 315.351 -0.656 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000844134461 805648180 /nfs/dbraw/zinc/64/81/80/805648180.db2.gz LQFGIUZQEPRCLA-UHFFFAOYSA-N -1 0 314.342 -0.083 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)n1cncn1 ZINC000844158703 805650282 /nfs/dbraw/zinc/65/02/82/805650282.db2.gz WZKLNQNZDZYWHH-VHSXEESVSA-N -1 0 319.325 -0.008 20 0 DBADRM CN(C(=O)COCC(=O)[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000844243297 805654311 /nfs/dbraw/zinc/65/43/11/805654311.db2.gz VLGYYYJCTKALDL-ZJUUUORDSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000844244906 805654435 /nfs/dbraw/zinc/65/44/35/805654435.db2.gz FBRGJZNIGNPYCC-VHSXEESVSA-N -1 0 306.384 -0.117 20 0 DBADRM CN(C(=O)COCC(=O)[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000844243296 805654454 /nfs/dbraw/zinc/65/44/54/805654454.db2.gz VLGYYYJCTKALDL-VHSXEESVSA-N -1 0 307.368 -0.098 20 0 DBADRM CCCCOC(=O)[C@H](C)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000844240345 805654480 /nfs/dbraw/zinc/65/44/80/805654480.db2.gz DPXQVYBOIHLVFM-UWVGGRQHSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000844245429 805654505 /nfs/dbraw/zinc/65/45/05/805654505.db2.gz JRTGEMHHLOIWII-JTQLQIEISA-N -1 0 322.383 -0.879 20 0 DBADRM COc1cc(OC)cc([C@@H](O)CNC(=O)COCC(=O)[O-])c1 ZINC000844251668 805655024 /nfs/dbraw/zinc/65/50/24/805655024.db2.gz YEHOKJYISQLOKI-LBPRGKRZSA-N -1 0 313.306 -0.045 20 0 DBADRM CCO[C@H]1C[C@H](O)C12CCN(C(=O)COCC(=O)[O-])CC2 ZINC000844248529 805655050 /nfs/dbraw/zinc/65/50/50/805655050.db2.gz DJHYKMBFVWAAQM-QWRGUYRKSA-N -1 0 301.339 -0.134 20 0 DBADRM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)COCC(=O)[O-])CC2 ZINC000844248523 805655553 /nfs/dbraw/zinc/65/55/53/805655553.db2.gz DJHYKMBFVWAAQM-GHMZBOCLSA-N -1 0 301.339 -0.134 20 0 DBADRM COc1cc(NC(=O)COCC(=O)[O-])c(C(N)=O)cc1OC ZINC000844246845 805655560 /nfs/dbraw/zinc/65/55/60/805655560.db2.gz XFUWNVJDNSMFPU-UHFFFAOYSA-N -1 0 312.278 -0.158 20 0 DBADRM C[C@]1(c2cccc(NC(=O)COCC(=O)[O-])c2)NC(=O)NC1=O ZINC000844249179 805655596 /nfs/dbraw/zinc/65/55/96/805655596.db2.gz GAAXGEPPMPDPRV-CQSZACIVSA-N -1 0 321.289 -0.219 20 0 DBADRM CCO[N-]C(=O)CN1C(=O)[C@@H]2C[C@H](C(=O)OC)CCN2C1=O ZINC000844737162 805669686 /nfs/dbraw/zinc/66/96/86/805669686.db2.gz BFNPEUAFSFZLHV-BDAKNGLRSA-N -1 0 313.310 -0.730 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCOC2)C[C@H](C(=O)[O-])O1 ZINC000844824378 805673464 /nfs/dbraw/zinc/67/34/64/805673464.db2.gz HEWFAUVCIIIJCE-OUAUKWLOSA-N -1 0 307.368 -0.083 20 0 DBADRM C[S@@](=O)CCNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000844886970 805674985 /nfs/dbraw/zinc/67/49/85/805674985.db2.gz YJGBDCNXUJNRJA-GOSISDBHSA-N -1 0 305.377 -0.030 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1cc2n(n1)CCC2 ZINC000845115498 805683091 /nfs/dbraw/zinc/68/30/91/805683091.db2.gz PIIDKLCENNPEQF-UHFFFAOYSA-N -1 0 314.305 -0.043 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C[C@@H](C)n1ccnc1 ZINC000845485365 805706425 /nfs/dbraw/zinc/70/64/25/805706425.db2.gz UZKVCSILFGHBNH-SNVBAGLBSA-N -1 0 304.372 -0.227 20 0 DBADRM COC/C(C)=C\C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000845437116 805703561 /nfs/dbraw/zinc/70/35/61/805703561.db2.gz RBPTXUJAAGRMJL-YWEYNIOJSA-N -1 0 315.351 -0.478 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000845448109 805703672 /nfs/dbraw/zinc/70/36/72/805703672.db2.gz CAEURDMLNBKGSA-UHFFFAOYSA-N -1 0 305.400 -0.004 20 0 DBADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)Cn1cnc(C(N)=O)n1 ZINC000845469069 805704992 /nfs/dbraw/zinc/70/49/92/805704992.db2.gz UYWXELOPDHZJGE-QMMMGPOBSA-N -1 0 317.371 -0.741 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C[C@@H](OC)C(F)(F)F ZINC000845467143 805705419 /nfs/dbraw/zinc/70/54/19/805705419.db2.gz WLKIKXLPDKPWEM-RXMQYKEDSA-N -1 0 307.246 -0.427 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C(C)(C)CNC(C)=O ZINC000845482414 805706293 /nfs/dbraw/zinc/70/62/93/805706293.db2.gz HQPQJGSSBAVCBM-UHFFFAOYSA-N -1 0 309.388 -0.912 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)C[C@@H](C)n1ccnc1 ZINC000845505095 805706991 /nfs/dbraw/zinc/70/69/91/805706991.db2.gz ORXZIKJLILUWHA-SECBINFHSA-N -1 0 303.340 -0.157 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC=CC1 ZINC001297450018 805707514 /nfs/dbraw/zinc/70/75/14/805707514.db2.gz RBQURCUZNVPAOA-SECBINFHSA-N -1 0 321.337 -0.126 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000845540757 805712847 /nfs/dbraw/zinc/71/28/47/805712847.db2.gz RAGTTYCIQQNEEZ-UHFFFAOYSA-N -1 0 310.358 -0.248 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000845542028 805712866 /nfs/dbraw/zinc/71/28/66/805712866.db2.gz SAWBWIUTLPXVTH-UHFFFAOYSA-N -1 0 307.372 -0.727 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@H](OC)C(F)(F)F ZINC000845512958 805708166 /nfs/dbraw/zinc/70/81/66/805708166.db2.gz HNSJFEMVEUADSC-RITPCOANSA-N -1 0 321.273 -0.039 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC([C@@H](F)C(=O)OCC)C1 ZINC000845531732 805709481 /nfs/dbraw/zinc/70/94/81/805709481.db2.gz GRTKACKYBBNDNF-SNVBAGLBSA-N -1 0 305.306 -0.403 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000845542357 805712941 /nfs/dbraw/zinc/71/29/41/805712941.db2.gz WMABFHSGNRGPPT-GHMZBOCLSA-N -1 0 312.370 -0.246 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(Cn2cnnc2)CC1 ZINC000845534612 805710518 /nfs/dbraw/zinc/71/05/18/805710518.db2.gz GKKNVAXERAPZLW-UHFFFAOYSA-N -1 0 310.358 -0.233 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000845536122 805710592 /nfs/dbraw/zinc/71/05/92/805710592.db2.gz NZAHAECCGTWHDA-SECBINFHSA-N -1 0 300.359 -0.247 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]S(=O)(=O)C1CCC1 ZINC000845534014 805710598 /nfs/dbraw/zinc/71/05/98/805710598.db2.gz GAJLHWGEUHYDRT-UHFFFAOYSA-N -1 0 314.367 -0.620 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C[C@H]1CCC(=O)N1)C(C)C ZINC000845535626 805710603 /nfs/dbraw/zinc/71/06/03/805710603.db2.gz VSXAQRDKPLELTB-SNVBAGLBSA-N -1 0 300.359 -0.247 20 0 DBADRM CCCN1C[C@@H](CNC(=O)NCC(=O)[N-]OCC)CC1=O ZINC000845534250 805710633 /nfs/dbraw/zinc/71/06/33/805710633.db2.gz KNTVNIFKEHJCLB-SNVBAGLBSA-N -1 0 300.359 -0.388 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000845533762 805711105 /nfs/dbraw/zinc/71/11/05/805711105.db2.gz AOEYWQCPRXBYOV-ZWNOBZJWSA-N -1 0 301.343 -0.357 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000845536676 805712139 /nfs/dbraw/zinc/71/21/39/805712139.db2.gz CBMXRTWTQMPIDR-UHFFFAOYSA-N -1 0 312.370 -0.292 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000845539308 805712434 /nfs/dbraw/zinc/71/24/34/805712434.db2.gz VTQGAOBEFQNPLY-SECBINFHSA-N -1 0 307.372 -0.870 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000845543553 805713271 /nfs/dbraw/zinc/71/32/71/805713271.db2.gz HYALVBZKFOGJEE-QWRGUYRKSA-N -1 0 301.343 -0.357 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000845543557 805713475 /nfs/dbraw/zinc/71/34/75/805713475.db2.gz HYALVBZKFOGJEE-WDEREUQCSA-N -1 0 301.343 -0.357 20 0 DBADRM CCOCCN1CCN(C(=O)NCC(=O)[N-]OCC)CC1 ZINC000845546602 805714062 /nfs/dbraw/zinc/71/40/62/805714062.db2.gz WLAMTZMITKIRQO-UHFFFAOYSA-N -1 0 302.375 -0.582 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCCOC1CCOCC1 ZINC000845545745 805714075 /nfs/dbraw/zinc/71/40/75/805714075.db2.gz RDSJJVKJLOFING-UHFFFAOYSA-N -1 0 303.359 -0.061 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)Cc1cccc(C(N)=O)c1 ZINC000845547853 805714162 /nfs/dbraw/zinc/71/41/62/805714162.db2.gz CFOGITHJXQXHMA-UHFFFAOYSA-N -1 0 308.338 -0.005 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000845546841 805714400 /nfs/dbraw/zinc/71/44/00/805714400.db2.gz DXJWMJABNBSAKC-JTQLQIEISA-N -1 0 301.343 -0.151 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC1(O)Cc2ccccc2C1 ZINC000845545792 805714438 /nfs/dbraw/zinc/71/44/38/805714438.db2.gz KDIGVATZHGSXNP-UHFFFAOYSA-N -1 0 307.350 -0.117 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000845547316 805714461 /nfs/dbraw/zinc/71/44/61/805714461.db2.gz LKXJLJGCOMVELG-UHFFFAOYSA-N -1 0 324.385 -0.685 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC1CCN(C(=O)OCC)CC1 ZINC000845555449 805715305 /nfs/dbraw/zinc/71/53/05/805715305.db2.gz RJOPUAVZUPROCC-UHFFFAOYSA-N -1 0 316.358 -0.026 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000845553355 805715647 /nfs/dbraw/zinc/71/56/47/805715647.db2.gz UAKFZTIKPITBIA-UHFFFAOYSA-N -1 0 324.337 -0.185 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC(=O)NC1CCCCC1 ZINC000845549306 805715860 /nfs/dbraw/zinc/71/58/60/805715860.db2.gz VWRLFVPCNCCGDF-UHFFFAOYSA-N -1 0 300.359 -0.198 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC(C)(C)N1CCOCC1 ZINC000845552728 805715942 /nfs/dbraw/zinc/71/59/42/805715942.db2.gz JCVNTAYTPFJEKO-UHFFFAOYSA-N -1 0 302.375 -0.536 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000845550336 805715959 /nfs/dbraw/zinc/71/59/59/805715959.db2.gz NQEMKSHNSHKSCK-QMMMGPOBSA-N -1 0 312.292 -0.010 20 0 DBADRM CCn1ccc(CC(=O)[N-]S(=O)(=O)CCC(=O)OC)n1 ZINC000845570497 805720220 /nfs/dbraw/zinc/72/02/20/805720220.db2.gz ZCWIKXUVKSVDPN-UHFFFAOYSA-N -1 0 303.340 -0.545 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000845597161 805720717 /nfs/dbraw/zinc/72/07/17/805720717.db2.gz DHBWKGOIDOIJAB-UHFFFAOYSA-N -1 0 316.383 -0.304 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)[N-]OCc1cccnc1 ZINC000845854215 805730889 /nfs/dbraw/zinc/73/08/89/805730889.db2.gz GIBDUNNNJPKXKK-UHFFFAOYSA-N -1 0 302.356 -0.632 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC ZINC000846003337 805739866 /nfs/dbraw/zinc/73/98/66/805739866.db2.gz WGTWTAJRWOJSPU-UWVGGRQHSA-N -1 0 322.383 -0.295 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2C ZINC000846002115 805740084 /nfs/dbraw/zinc/74/00/84/805740084.db2.gz CIHCMWAXHKLEML-UHFFFAOYSA-N -1 0 313.339 -0.686 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC ZINC000846003339 805740184 /nfs/dbraw/zinc/74/01/84/805740184.db2.gz WGTWTAJRWOJSPU-VHSXEESVSA-N -1 0 322.383 -0.295 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(N(C)C)nc1 ZINC000846003264 805740324 /nfs/dbraw/zinc/74/03/24/805740324.db2.gz UQQOQDOCNWXPDA-UHFFFAOYSA-N -1 0 302.356 -0.506 20 0 DBADRM CN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000846116333 805743722 /nfs/dbraw/zinc/74/37/22/805743722.db2.gz SMUNYKNIUDBIGH-WDEREUQCSA-N -1 0 312.347 -0.038 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000846132759 805745189 /nfs/dbraw/zinc/74/51/89/805745189.db2.gz BNZVEESZZMOMDC-VIFPVBQESA-N -1 0 323.353 -0.024 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C(N)=O)ccc1C ZINC000846132009 805745350 /nfs/dbraw/zinc/74/53/50/805745350.db2.gz WFIFZRYNJUWEKI-UHFFFAOYSA-N -1 0 322.321 -0.784 20 0 DBADRM CC(C)(CO)O[N-]C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC000846237764 805749198 /nfs/dbraw/zinc/74/91/98/805749198.db2.gz JWZXRHMRPKFAJZ-NSHDSACASA-N -1 0 314.313 -0.265 20 0 DBADRM CCOCCC(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001298156575 805753050 /nfs/dbraw/zinc/75/30/50/805753050.db2.gz FBJQNXZSSVBKPD-VIFPVBQESA-N -1 0 314.342 -0.943 20 0 DBADRM CCC[C@@H](C)[C@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000846369428 805754129 /nfs/dbraw/zinc/75/41/29/805754129.db2.gz XORWBZZWJWCRQT-KOLCDFICSA-N -1 0 307.354 -0.016 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(C(N)=O)c(Cl)n1 ZINC000846490180 805756543 /nfs/dbraw/zinc/75/65/43/805756543.db2.gz GKWOPFQZQAWCGE-UHFFFAOYSA-N -1 0 300.702 -0.369 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cc(S(=O)(=O)NC)oc1C ZINC000846493607 805756858 /nfs/dbraw/zinc/75/68/58/805756858.db2.gz DDEFOOVCCVXRMU-UHFFFAOYSA-N -1 0 319.339 -0.706 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cnc2c(c1)NC(=O)CS2 ZINC000846492641 805756931 /nfs/dbraw/zinc/75/69/31/805756931.db2.gz BPXOCEUNNKWANT-UHFFFAOYSA-N -1 0 310.335 -0.077 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000846489676 805757020 /nfs/dbraw/zinc/75/70/20/805757020.db2.gz BMRWPRJYWKNQDR-UHFFFAOYSA-N -1 0 303.322 -0.006 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000846492071 805757112 /nfs/dbraw/zinc/75/71/12/805757112.db2.gz XSDOSYJNVGMQPW-SECBINFHSA-N -1 0 319.317 -0.145 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cnc2c(C)cccn2c1=O ZINC000846494099 805758065 /nfs/dbraw/zinc/75/80/65/805758065.db2.gz NWQJFWDDOAUUQH-UHFFFAOYSA-N -1 0 304.306 -0.200 20 0 DBADRM CCCC(=O)N1CSC[C@@H]1C(=O)NCC(=O)[N-]OCC ZINC000846496204 805758135 /nfs/dbraw/zinc/75/81/35/805758135.db2.gz NCIVICSDFKDYGC-SECBINFHSA-N -1 0 303.384 -0.128 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000846497472 805758156 /nfs/dbraw/zinc/75/81/56/805758156.db2.gz NANALLKDYZQHGW-NSHDSACASA-N -1 0 320.349 -0.386 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(C)c(S(N)(=O)=O)c1 ZINC000846499444 805759668 /nfs/dbraw/zinc/75/96/68/805759668.db2.gz QORCMWLBVVTZEA-UHFFFAOYSA-N -1 0 315.351 -0.560 20 0 DBADRM COC(=O)[C@H](NC(=O)c1cc(=O)[nH][n-]1)[C@H]1CCC[C@@H](OC)C1 ZINC000846596117 805764824 /nfs/dbraw/zinc/76/48/24/805764824.db2.gz QJGOUBTYVCSSQP-YGOYTEALSA-N -1 0 311.338 -0.275 20 0 DBADRM COCC(=O)NCC=CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001298216277 805768336 /nfs/dbraw/zinc/76/83/36/805768336.db2.gz FGEVCQOZVUBQKK-NSCUHMNNSA-N -1 0 320.305 -0.023 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)COCC(=O)[O-])c1 ZINC000846716514 805773415 /nfs/dbraw/zinc/77/34/15/805773415.db2.gz MPVVJMRDBKUJRG-UHFFFAOYSA-N -1 0 320.298 -0.810 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC000846725884 805773618 /nfs/dbraw/zinc/77/36/18/805773618.db2.gz XDTDVFAYBIVGKQ-ZJUUUORDSA-N -1 0 319.383 -0.585 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC000846725883 805773631 /nfs/dbraw/zinc/77/36/31/805773631.db2.gz XDTDVFAYBIVGKQ-VHSXEESVSA-N -1 0 319.383 -0.585 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC000846725881 805773786 /nfs/dbraw/zinc/77/37/86/805773786.db2.gz XDTDVFAYBIVGKQ-NXEZZACHSA-N -1 0 319.383 -0.585 20 0 DBADRM C[C@H](O[C@@H](C)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1)C(=O)[O-] ZINC000846759271 805776306 /nfs/dbraw/zinc/77/63/06/805776306.db2.gz QJYFJZMMENMRDT-OYNCUSHFSA-N -1 0 300.311 -0.036 20 0 DBADRM COc1ccccc1CO[N-]C(=O)CNS(=O)(=O)N(C)C ZINC000847179370 805787864 /nfs/dbraw/zinc/78/78/64/805787864.db2.gz XXUKCZUSJHSZAI-UHFFFAOYSA-N -1 0 317.367 -0.361 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc2nonc21 ZINC000847534679 805806110 /nfs/dbraw/zinc/80/61/10/805806110.db2.gz USUYBPPVNFTYNT-UHFFFAOYSA-N -1 0 307.266 -0.655 20 0 DBADRM CN(C)c1ncc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1Cl ZINC000847680109 805812008 /nfs/dbraw/zinc/81/20/08/805812008.db2.gz YRWYLGOEJLBAHR-UHFFFAOYSA-N -1 0 320.758 -0.654 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cnc(N(C)C)cn1 ZINC000847662826 805810627 /nfs/dbraw/zinc/81/06/27/805810627.db2.gz QIMJZVNGYOVJNB-UHFFFAOYSA-N -1 0 301.372 -0.141 20 0 DBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cn1 ZINC000847681142 805811613 /nfs/dbraw/zinc/81/16/13/805811613.db2.gz VVFWSKHRGMUORU-MRVPVSSYSA-N -1 0 310.339 -0.085 20 0 DBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2ccsc2)c(=O)n1C ZINC000847663790 805811768 /nfs/dbraw/zinc/81/17/68/805811768.db2.gz NFLAPOSQDNCWAP-UHFFFAOYSA-N -1 0 316.364 -0.543 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cnc(N(C)C)cn1 ZINC000847711240 805813548 /nfs/dbraw/zinc/81/35/48/805813548.db2.gz KSWKHXZVCPAFKS-UHFFFAOYSA-N -1 0 324.366 -0.297 20 0 DBADRM C[C@]1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CCCCO1 ZINC000847997802 805818757 /nfs/dbraw/zinc/81/87/57/805818757.db2.gz AMOOUZKOTNSECW-LLVKDONJSA-N -1 0 317.323 -0.462 20 0 DBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2cn(CC3CC3)nn2)cn1 ZINC000847847886 805815974 /nfs/dbraw/zinc/81/59/74/805815974.db2.gz BMLNYLWJOMQBGW-UHFFFAOYSA-N -1 0 324.366 -0.319 20 0 DBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)COC[C@H]2CCCO2)cn1 ZINC000847846699 805816044 /nfs/dbraw/zinc/81/60/44/805816044.db2.gz RGDORSJOMJAAMC-LLVKDONJSA-N -1 0 317.367 -0.438 20 0 DBADRM CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)O1 ZINC000847995844 805819053 /nfs/dbraw/zinc/81/90/53/805819053.db2.gz HURWXEHJKQUYMW-HTRCEHHLSA-N -1 0 317.323 -0.464 20 0 DBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CCCO1 ZINC000847995997 805819154 /nfs/dbraw/zinc/81/91/54/805819154.db2.gz ISLCIRMQPTYKLZ-JTQLQIEISA-N -1 0 303.296 -0.853 20 0 DBADRM CCC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998410 805819569 /nfs/dbraw/zinc/81/95/69/805819569.db2.gz VIOOOSRTBPGXIL-ZETCQYMHSA-N -1 0 305.312 -0.607 20 0 DBADRM CC(C)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998151 805819788 /nfs/dbraw/zinc/81/97/88/805819788.db2.gz NICIBVUBNCHGTK-BQBZGAKWSA-N -1 0 301.324 -0.130 20 0 DBADRM COC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998110 805819930 /nfs/dbraw/zinc/81/99/30/805819930.db2.gz LDNWAFKEAWZXHE-BQBZGAKWSA-N -1 0 319.339 -0.503 20 0 DBADRM COC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998112 805820057 /nfs/dbraw/zinc/82/00/57/805820057.db2.gz LDNWAFKEAWZXHE-RNFRBKRXSA-N -1 0 319.339 -0.503 20 0 DBADRM COCC1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CCC1 ZINC000847998369 805820218 /nfs/dbraw/zinc/82/02/18/805820218.db2.gz UMYMFEDBGPUXOY-UHFFFAOYSA-N -1 0 317.323 -0.605 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C(=O)O1 ZINC000848078967 805825134 /nfs/dbraw/zinc/82/51/34/805825134.db2.gz YJWYFKTXTDCAIW-XNCJUZBTSA-N -1 0 304.262 -0.130 20 0 DBADRM C[C@H](CNC(=O)[C@]1(C)C=CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001298658090 805822101 /nfs/dbraw/zinc/82/21/01/805822101.db2.gz CIBSKBXAKAXUPQ-XLKFXECMSA-N -1 0 321.337 -0.126 20 0 DBADRM CCO/C=C/[C@@](O)(CNC(=O)c1cc(=O)[nH][n-]1)C(F)(F)F ZINC000848182764 805830031 /nfs/dbraw/zinc/83/00/31/805830031.db2.gz SURPITYQTQDIEC-HMDXOVGESA-N -1 0 309.244 -0.178 20 0 DBADRM O=C(NC[C@H]1CCCN(C(=O)C(F)(F)F)C1)c1cc(=O)[nH][n-]1 ZINC000848331960 805835415 /nfs/dbraw/zinc/83/54/15/805835415.db2.gz PRBZDJFMSHYNNW-SSDOTTSWSA-N -1 0 320.271 -0.221 20 0 DBADRM C/C(=C\C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001298833340 805835691 /nfs/dbraw/zinc/83/56/91/805835691.db2.gz FYLGEVISLZUTRY-QRJSTWQJSA-N -1 0 323.353 -0.334 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC000848446059 805837810 /nfs/dbraw/zinc/83/78/10/805837810.db2.gz IUVNHCCWWDJHFM-CYBMUJFWSA-N -1 0 302.294 -0.006 20 0 DBADRM C[C@H](CNC(=O)NC[C@@H]1COC2(CCOCC2)O1)C(=O)[O-] ZINC000848581654 805841618 /nfs/dbraw/zinc/84/16/18/805841618.db2.gz WRRCVESRANYHGW-NXEZZACHSA-N -1 0 302.327 -0.072 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC2(C1)OCCO2)C(=O)[O-] ZINC000848612512 805842936 /nfs/dbraw/zinc/84/29/36/805842936.db2.gz PVAKHTZMWPESHQ-JTQLQIEISA-N -1 0 314.338 -0.565 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1COC(C)(C)O1)C(=O)[O-] ZINC000848610849 805843245 /nfs/dbraw/zinc/84/32/45/805843245.db2.gz NSYPMIVCOFFJNJ-UWVGGRQHSA-N -1 0 316.354 -0.273 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NC[C@@H]1CSCCS1)C(=O)[O-] ZINC000848611879 805843513 /nfs/dbraw/zinc/84/35/13/805843513.db2.gz SLSZVJAQTYZIGI-JGVFFNPUSA-N -1 0 306.409 -0.212 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)[C@H]3CCCS3(=O)=O)C[C@H]1COCC2 ZINC000848875204 805852117 /nfs/dbraw/zinc/85/21/17/805852117.db2.gz DLFQNBNGLQIYFJ-OPQQBVKSSA-N -1 0 317.363 -0.487 20 0 DBADRM CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000848956772 805853144 /nfs/dbraw/zinc/85/31/44/805853144.db2.gz FIVWUGBAQUJBPG-UHFFFAOYSA-N -1 0 313.357 -0.371 20 0 DBADRM CC/C(C)=C\C(=O)N1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001299071585 805856754 /nfs/dbraw/zinc/85/67/54/805856754.db2.gz QLOGWHFEBBJYRN-ABRRARGCSA-N -1 0 323.353 -0.237 20 0 DBADRM CO[C@H](CNC(=O)N1CCOC[C@@H]1C(=O)[O-])[C@H]1CCOC1 ZINC000849238270 805860780 /nfs/dbraw/zinc/86/07/80/805860780.db2.gz UMKDLDWKHZGBHV-HBNTYKKESA-N -1 0 302.327 -0.467 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[O-] ZINC000849379272 805865123 /nfs/dbraw/zinc/86/51/23/805865123.db2.gz RBYYVITVFJZNES-BDAKNGLRSA-N -1 0 301.320 -0.311 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1cc(C)nnc1N(C)C ZINC000850415123 805890070 /nfs/dbraw/zinc/89/00/70/805890070.db2.gz NTTMWWVFILNZRW-UHFFFAOYSA-N -1 0 311.342 -0.126 20 0 DBADRM COC(=O)NCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000850788806 805901929 /nfs/dbraw/zinc/90/19/29/805901929.db2.gz HKRMOFCDCYJVSL-UHFFFAOYSA-N -1 0 310.266 -0.810 20 0 DBADRM CNC(=O)NCCNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001299793027 805901835 /nfs/dbraw/zinc/90/18/35/805901835.db2.gz UTWBYOQMCFAECG-UHFFFAOYSA-N -1 0 305.294 -0.311 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCCF)CC1 ZINC000850787860 805902065 /nfs/dbraw/zinc/90/20/65/805902065.db2.gz DGQAWFFTLFELJD-UHFFFAOYSA-N -1 0 310.347 -0.018 20 0 DBADRM Cn1cc(CCC(=O)[N-]S(=O)(=O)N2CCCCC2)nn1 ZINC000850789430 805902253 /nfs/dbraw/zinc/90/22/53/805902253.db2.gz QJIVFFODBYCYIS-UHFFFAOYSA-N -1 0 301.372 -0.405 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1cnc2n1CCOC2 ZINC000850788347 805902274 /nfs/dbraw/zinc/90/22/74/805902274.db2.gz VPCXMVNRJMGICB-UHFFFAOYSA-N -1 0 300.340 -0.516 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCOCC1 ZINC000850797381 805902448 /nfs/dbraw/zinc/90/24/48/805902448.db2.gz FCNVCJPRVHMNLI-UHFFFAOYSA-N -1 0 303.344 -0.967 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1cccc(F)n1)C2 ZINC000850796916 805902515 /nfs/dbraw/zinc/90/25/15/805902515.db2.gz VZMUFDRLSQKCAH-XLKFXECMSA-N -1 0 323.280 -0.281 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)CN1CCN(C2CC2)C1=O ZINC000850833244 805904309 /nfs/dbraw/zinc/90/43/09/805904309.db2.gz IKTFKIXINCHOHR-UHFFFAOYSA-N -1 0 319.383 -0.631 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)cc1C(N)=O ZINC000850839048 805904878 /nfs/dbraw/zinc/90/48/78/805904878.db2.gz ZILBQTUUMJOKKM-GDNZZTSVSA-N -1 0 324.358 -0.209 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)[N-]S(=O)(=O)c2ccccn2)n1 ZINC000850848126 805905585 /nfs/dbraw/zinc/90/55/85/805905585.db2.gz NHBCKNMXJCEFFG-UHFFFAOYSA-N -1 0 324.366 -0.129 20 0 DBADRM Cc1ccn([C@H](C)CC(=O)[N-]S(=O)(=O)N2CCOCC2)n1 ZINC000850862341 805905668 /nfs/dbraw/zinc/90/56/68/805905668.db2.gz MYOVTZSWLKMIGG-LLVKDONJSA-N -1 0 316.383 -0.164 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H](OC)C1CCC1 ZINC000850896711 805906538 /nfs/dbraw/zinc/90/65/38/805906538.db2.gz BZYNALJVBQSSAX-LLVKDONJSA-N -1 0 309.384 -0.090 20 0 DBADRM CCc1c[nH]c(=O)c(C(=O)[N-]S(=O)(=O)N(C)CCOC)c1 ZINC000850888882 805906695 /nfs/dbraw/zinc/90/66/95/805906695.db2.gz OSLZDDBKMQNZGM-UHFFFAOYSA-N -1 0 317.367 -0.098 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnccn1)c1cnc2n1CCOC2 ZINC000850888458 805906746 /nfs/dbraw/zinc/90/67/46/805906746.db2.gz CFGZKIKRAZIZAB-UHFFFAOYSA-N -1 0 309.307 -0.678 20 0 DBADRM COCCCOCCC(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000850889786 805907188 /nfs/dbraw/zinc/90/71/88/805907188.db2.gz ZIWYXKTUYYVENV-UHFFFAOYSA-N -1 0 312.388 -0.631 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)[N-]S(=O)(=O)c2cc[nH]n2)n1 ZINC000850975119 805909674 /nfs/dbraw/zinc/90/96/74/805909674.db2.gz JWSDIKNULAQAEV-UHFFFAOYSA-N -1 0 313.343 -0.801 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1)[C@H]1CCOC1 ZINC000850936902 805907807 /nfs/dbraw/zinc/90/78/07/805907807.db2.gz LNLFGDGIXOVANX-DCAQKATOSA-N -1 0 307.368 -0.337 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)cc1 ZINC000850927218 805908213 /nfs/dbraw/zinc/90/82/13/805908213.db2.gz DIQATOFWYDBWKC-GDNZZTSVSA-N -1 0 324.358 -0.257 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000850952982 805909726 /nfs/dbraw/zinc/90/97/26/805909726.db2.gz UTDWQAPIMUHYQA-UHFFFAOYSA-N -1 0 319.387 -0.086 20 0 DBADRM O=C(C(=O)N1CCOC[C@H]1c1nnn[n-]1)c1ccc(O)cc1 ZINC001302138113 805908413 /nfs/dbraw/zinc/90/84/13/805908413.db2.gz XORIDJQKRCHVFW-JTQLQIEISA-N -1 0 303.278 -0.312 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H](COC)OC)nc1C ZINC000850920680 805908515 /nfs/dbraw/zinc/90/85/15/805908515.db2.gz FPYYDWNEXMBBQS-VIFPVBQESA-N -1 0 305.356 -0.322 20 0 DBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC ZINC000850959985 805908983 /nfs/dbraw/zinc/90/89/83/805908983.db2.gz YSQXGANOXYDFOG-VGMNWLOBSA-N -1 0 311.356 -0.709 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850959698 805909135 /nfs/dbraw/zinc/90/91/35/805909135.db2.gz YKSUKLPHBXTJGE-VFCFLDTKSA-N -1 0 305.352 -0.478 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@]12C[C@H]1COC2(C)C ZINC000850944068 805909169 /nfs/dbraw/zinc/90/91/69/805909169.db2.gz YQOGSGJAWHROMU-UBJUHAIHSA-N -1 0 305.352 -0.191 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)[N-]S(=O)(=O)C1CCC1 ZINC000850990215 805910340 /nfs/dbraw/zinc/91/03/40/805910340.db2.gz SVVHGGHRHLPADO-UHFFFAOYSA-N -1 0 301.368 -0.115 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)Cn1cc(C2CC2)cn1 ZINC000851021793 805911370 /nfs/dbraw/zinc/91/13/70/805911370.db2.gz NLSIMJGZXALMNI-UHFFFAOYSA-N -1 0 315.351 -0.230 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000851022330 805912223 /nfs/dbraw/zinc/91/22/23/805912223.db2.gz VQVYIOBGFAZNKX-UHFFFAOYSA-N -1 0 319.343 -0.949 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001302937188 805912189 /nfs/dbraw/zinc/91/21/89/805912189.db2.gz LRIYVQNRMOEJRV-SECBINFHSA-N -1 0 303.326 -0.251 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cccn1C)[C@@H]1CCOC1 ZINC000851082319 805912530 /nfs/dbraw/zinc/91/25/30/805912530.db2.gz FCUFMMLQMHONKH-KOLCDFICSA-N -1 0 302.352 -0.119 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)CCc1ccccc1F ZINC000851327052 805913945 /nfs/dbraw/zinc/91/39/45/805913945.db2.gz JAZWYELLFFVNNI-UHFFFAOYSA-N -1 0 302.327 -0.050 20 0 DBADRM NC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)CC(F)F)cc1 ZINC000851357839 805914471 /nfs/dbraw/zinc/91/44/71/805914471.db2.gz GJHQCYJAVYKRQO-UHFFFAOYSA-N -1 0 322.289 -0.125 20 0 DBADRM O=C([N-]S(=O)(=O)CC(F)F)[C@@H]1COCCN1CC(F)F ZINC000851362475 805915928 /nfs/dbraw/zinc/91/59/28/805915928.db2.gz BUYGDOSAPWHDLW-LURJTMIESA-N -1 0 322.280 -0.337 20 0 DBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)Cc1cc(OC)ns1 ZINC000851438856 805917003 /nfs/dbraw/zinc/91/70/03/805917003.db2.gz XVJTUEPEMQKANI-MRVPVSSYSA-N -1 0 324.380 -0.241 20 0 DBADRM COc1cc(CS(=O)(=O)[N-]C(=O)c2ncn(C)n2)sn1 ZINC000851438001 805917112 /nfs/dbraw/zinc/91/71/12/805917112.db2.gz YOTANFXXCFYZRK-UHFFFAOYSA-N -1 0 317.352 -0.460 20 0 DBADRM CCc1ncncc1C(=O)[N-]S(=O)(=O)C(COC)COC ZINC000851498913 805917446 /nfs/dbraw/zinc/91/74/46/805917446.db2.gz JRXNVGMOSHFEBZ-UHFFFAOYSA-N -1 0 317.367 -0.240 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000851498640 805917462 /nfs/dbraw/zinc/91/74/62/805917462.db2.gz BJODHGUAIOSSCW-UHFFFAOYSA-N -1 0 318.351 -0.894 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cnn(C)c1C ZINC000851498261 805917620 /nfs/dbraw/zinc/91/76/20/805917620.db2.gz SEQONZSYEFQCTG-UHFFFAOYSA-N -1 0 305.356 -0.550 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cccn(C)c1=O ZINC000851499924 805917669 /nfs/dbraw/zinc/91/76/69/805917669.db2.gz ADIOSKLMXDFYGO-UHFFFAOYSA-N -1 0 318.351 -0.894 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C1(C)CCOCC1 ZINC000851500096 805917683 /nfs/dbraw/zinc/91/76/83/805917683.db2.gz GIOYFDLSKVLGRO-UHFFFAOYSA-N -1 0 309.384 -0.090 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)/C=C\c1cnn(C)c1 ZINC000851497872 805917728 /nfs/dbraw/zinc/91/77/28/805917728.db2.gz KDKDUIBEPKHXJJ-PLNGDYQASA-N -1 0 317.367 -0.459 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)/C=C/[C@H]1CCOC1 ZINC000851502185 805918485 /nfs/dbraw/zinc/91/84/85/805918485.db2.gz CXXXCKNECPWYDH-FSIBCCDJSA-N -1 0 307.368 -0.314 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000851503367 805918731 /nfs/dbraw/zinc/91/87/31/805918731.db2.gz WVJSWFXELTWEGT-CMPLNLGQSA-N -1 0 307.368 -0.480 20 0 DBADRM CCc1nc(C(=O)[N-]S(=O)(=O)C(COC)COC)co1 ZINC000851501733 805918829 /nfs/dbraw/zinc/91/88/29/805918829.db2.gz HDQMVMRWAGPUGG-UHFFFAOYSA-N -1 0 306.340 -0.042 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cnc2n1CCC2 ZINC000851503518 805919148 /nfs/dbraw/zinc/91/91/48/805919148.db2.gz IDGZZGPMYJXRIP-UHFFFAOYSA-N -1 0 317.367 -0.450 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cnn(CCF)c1 ZINC000851504371 805919617 /nfs/dbraw/zinc/91/96/17/805919617.db2.gz WDESWBWKYPKVIS-UHFFFAOYSA-N -1 0 323.346 -0.426 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@]12C[C@H]1COC2(C)C ZINC000851504406 805919967 /nfs/dbraw/zinc/91/99/67/805919967.db2.gz WRIQFBQWGAHLLU-ZANVPECISA-N -1 0 321.395 -0.091 20 0 DBADRM CO[C@H](C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)[C@@H]1CCOC1 ZINC000851603156 805920630 /nfs/dbraw/zinc/92/06/30/805920630.db2.gz JVQQXOZZCTVUIB-OXJKWZBOSA-N -1 0 313.350 -0.012 20 0 DBADRM CS(=O)(=O)NCCNC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851595141 805921211 /nfs/dbraw/zinc/92/12/11/805921211.db2.gz NAEANJSYMGNXID-HYXAFXHYSA-N -1 0 302.308 -0.344 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H]2CSCN2C(C)=O)[C@H](C(=O)[O-])C1 ZINC000851622863 805921665 /nfs/dbraw/zinc/92/16/65/805921665.db2.gz WDURZQSKTVOBAQ-VWYCJHECSA-N -1 0 316.379 -0.002 20 0 DBADRM COC(=O)NCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000851651491 805921799 /nfs/dbraw/zinc/92/17/99/805921799.db2.gz KWHRKDUAPDRSJM-PRHODGIISA-N -1 0 301.299 -0.915 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000851651361 805922101 /nfs/dbraw/zinc/92/21/01/805922101.db2.gz LGKSFFYZVRWWJJ-YGOYTEALSA-N -1 0 320.367 -0.695 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])ccc1-n1cnnn1 ZINC000851616661 805922307 /nfs/dbraw/zinc/92/23/07/805922307.db2.gz RIUWHAJODABJNH-PWSUYJOCSA-N -1 0 317.305 -0.057 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCCOc2cccnc2)CCC1 ZINC000851681855 805924287 /nfs/dbraw/zinc/92/42/87/805924287.db2.gz PWOXQGTWERGFSU-UHFFFAOYSA-N -1 0 321.333 -0.052 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCC1CCC1)C2 ZINC000851682781 805924779 /nfs/dbraw/zinc/92/47/79/805924779.db2.gz VTJFLTFYFDRUGS-IAQYHMDHSA-N -1 0 310.350 -0.148 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000851687080 805926388 /nfs/dbraw/zinc/92/63/88/805926388.db2.gz LVMLYDWGAALNDV-SECBINFHSA-N -1 0 311.338 -0.953 20 0 DBADRM COCCN(CCF)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000851686716 805926606 /nfs/dbraw/zinc/92/66/06/805926606.db2.gz GOISVHMDSYERCG-UHFFFAOYSA-N -1 0 304.318 -0.198 20 0 DBADRM CS(=O)(=O)CCNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000851690403 805928555 /nfs/dbraw/zinc/92/85/55/805928555.db2.gz CINYKOZCZPIDAL-UHFFFAOYSA-N -1 0 301.320 -0.076 20 0 DBADRM O=c1[n-]nc([C@H]2CCCN(Cc3nnc4c(=O)[nH]ccn34)C2)o1 ZINC001307732337 805930904 /nfs/dbraw/zinc/93/09/04/805930904.db2.gz MHPCVJFQPIJTKV-QMMMGPOBSA-N -1 0 317.309 -0.114 20 0 DBADRM O=c1[n-]nc([C@@H]2CCCN(Cc3nnc4c(=O)[nH]ccn34)C2)o1 ZINC001307732335 805931420 /nfs/dbraw/zinc/93/14/20/805931420.db2.gz MHPCVJFQPIJTKV-MRVPVSSYSA-N -1 0 317.309 -0.114 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC000851799580 805937949 /nfs/dbraw/zinc/93/79/49/805937949.db2.gz BPXHMDLWMOCCGT-UHFFFAOYSA-N -1 0 320.323 -0.279 20 0 DBADRM COC(=O)COCCNS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001309741960 805939644 /nfs/dbraw/zinc/93/96/44/805939644.db2.gz WRKCRIQESYHEEE-UHFFFAOYSA-N -1 0 307.299 -0.001 20 0 DBADRM CNS(=O)(=O)c1ccc(NC(=O)NCC(=O)[N-]OC)cc1 ZINC001310326707 805942870 /nfs/dbraw/zinc/94/28/70/805942870.db2.gz BFECMSIUIMYSLM-UHFFFAOYSA-N -1 0 316.339 -0.606 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccc(OC)c(-n2cnnn2)c1 ZINC001310369982 805942915 /nfs/dbraw/zinc/94/29/15/805942915.db2.gz HZIGOVGJONYTPE-UHFFFAOYSA-N -1 0 321.297 -0.530 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC001310487512 805943420 /nfs/dbraw/zinc/94/34/20/805943420.db2.gz IHLJJMQLNZNDGL-UHFFFAOYSA-N -1 0 320.309 -0.630 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1ncnn1-c1ccccc1 ZINC001312630323 805952577 /nfs/dbraw/zinc/95/25/77/805952577.db2.gz URUTVGZPHRHEEI-UHFFFAOYSA-N -1 0 304.310 -0.256 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1Cc2ccccc2NC1=O ZINC001312961178 805958157 /nfs/dbraw/zinc/95/81/57/805958157.db2.gz OXJRSPFSCBOCJF-LLVKDONJSA-N -1 0 306.322 -0.083 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCCc2c1ccc(=O)n2C ZINC001312949671 805958180 /nfs/dbraw/zinc/95/81/80/805958180.db2.gz WWQPMUIUFLWSNL-SNVBAGLBSA-N -1 0 308.338 -0.261 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC1(CC(N)=O)CCCCC1 ZINC001313077355 805958680 /nfs/dbraw/zinc/95/86/80/805958680.db2.gz OHGMRWGWJXJHDF-UHFFFAOYSA-N -1 0 300.359 -0.211 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H](C)C(=O)NCc1ccccc1 ZINC001313360875 805961012 /nfs/dbraw/zinc/96/10/12/805961012.db2.gz GUMGVAUVPYBHNX-SNVBAGLBSA-N -1 0 308.338 -0.332 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC000852399626 805962655 /nfs/dbraw/zinc/96/26/55/805962655.db2.gz ORFBPQUYFUTUNR-GRYCIOLGSA-N -1 0 317.386 -0.081 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@H](N2CCOC2=O)C1 ZINC000852399589 805963251 /nfs/dbraw/zinc/96/32/51/805963251.db2.gz NRIBHDISXCWZGW-VIFPVBQESA-N -1 0 300.315 -0.710 20 0 DBADRM NC(=O)C1([NH2+]CC(=O)[N-]OCc2ccccc2)CCOCC1 ZINC000852493912 805966877 /nfs/dbraw/zinc/96/68/77/805966877.db2.gz UTOLWJWSKQVMPX-UHFFFAOYSA-N -1 0 307.350 -0.142 20 0 DBADRM CCOC(=O)[C@@]1(F)CN(CC(=O)NCC(=O)[O-])CC12CCC2 ZINC000852733905 805972066 /nfs/dbraw/zinc/97/20/66/805972066.db2.gz ATEDKJODAODGQM-AWEZNQCLSA-N -1 0 316.329 -0.056 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H]3COC[C@H]3C2)C1 ZINC000852914818 805989819 /nfs/dbraw/zinc/98/98/19/805989819.db2.gz IDPMNZXWXYNKER-RWSFTLGLSA-N -1 0 310.350 -0.196 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)NC1(C(=O)[O-])CCOCC1 ZINC000852960353 805994852 /nfs/dbraw/zinc/99/48/52/805994852.db2.gz FWAXVGAGTJNLGR-SECBINFHSA-N -1 0 302.352 -0.342 20 0 DBADRM C[C@@]12COC[C@@H]1CN(C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)C2 ZINC000852915177 805991206 /nfs/dbraw/zinc/99/12/06/805991206.db2.gz SFUTXDABKJXYQF-NZVBXONLSA-N -1 0 310.350 -0.196 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000852915503 805991472 /nfs/dbraw/zinc/99/14/72/805991472.db2.gz WNLIGVPJJCGLIT-YGRLFVJLSA-N -1 0 314.338 -0.817 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCCN1CCCS1(=O)=O ZINC000852945990 805993993 /nfs/dbraw/zinc/99/39/93/805993993.db2.gz LFTHANVWWNYCGV-NSHDSACASA-N -1 0 308.356 -0.982 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCOCCS(C)(=O)=O ZINC000852944869 805994313 /nfs/dbraw/zinc/99/43/13/805994313.db2.gz STZPPZVDMIYFQM-LBPRGKRZSA-N -1 0 307.368 -0.335 20 0 DBADRM C[C@]1(c2ccco2)NC(=O)N([C@H]2CCN(CC(=O)[O-])C2=O)C1=O ZINC000853003341 805994770 /nfs/dbraw/zinc/99/47/70/805994770.db2.gz IZZCNVCEJBEGIK-RMLUDKJBSA-N -1 0 321.289 -0.268 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC000852952397 805995248 /nfs/dbraw/zinc/99/52/48/805995248.db2.gz LVULPRCUTIXUST-UHFFFAOYSA-N -1 0 312.322 -0.525 20 0 DBADRM CCN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)[C@H](C)C(=O)[O-] ZINC000852954650 805995348 /nfs/dbraw/zinc/99/53/48/805995348.db2.gz NVLIBIPLTPOSPJ-XCODYQFDSA-N -1 0 309.322 -0.581 20 0 DBADRM COCCS(=O)(=O)CC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000852961205 805995445 /nfs/dbraw/zinc/99/54/45/805995445.db2.gz HXWMGWYEHVTNNF-SNVBAGLBSA-N -1 0 307.368 -0.335 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000852956610 805995526 /nfs/dbraw/zinc/99/55/26/805995526.db2.gz UIYPVXNFVVQBAS-MRVPVSSYSA-N -1 0 321.273 -0.431 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000852956611 805995536 /nfs/dbraw/zinc/99/55/36/805995536.db2.gz UIYPVXNFVVQBAS-QMMMGPOBSA-N -1 0 321.273 -0.431 20 0 DBADRM COCCS(=O)(=O)CC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000852961204 805995665 /nfs/dbraw/zinc/99/56/65/805995665.db2.gz HXWMGWYEHVTNNF-JTQLQIEISA-N -1 0 307.368 -0.335 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000853068851 805996052 /nfs/dbraw/zinc/99/60/52/805996052.db2.gz GUTPDAFRNHEEIP-VIFPVBQESA-N -1 0 306.340 -0.511 20 0 DBADRM NC(=O)c1ccc(/C=C\C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)o1 ZINC000853106828 805997358 /nfs/dbraw/zinc/99/73/58/805997358.db2.gz IWKGYANREUDPSO-MDHMXLOGSA-N -1 0 314.319 -0.373 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(C(N)=O)o1 ZINC000853105961 805997381 /nfs/dbraw/zinc/99/73/81/805997381.db2.gz OCIUTADMGLOZCV-GQCTYLIASA-N -1 0 316.335 -0.126 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000853069544 805997560 /nfs/dbraw/zinc/99/75/60/805997560.db2.gz PMKHZFGFYDONTE-VIFPVBQESA-N -1 0 311.381 -0.486 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)CCC1 ZINC000853202300 806001216 /nfs/dbraw/zinc/00/12/16/806001216.db2.gz CPJGXRZXBVIUKX-VIFPVBQESA-N -1 0 322.383 -0.990 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cccc(OC)n1)OC ZINC000853202526 806001233 /nfs/dbraw/zinc/00/12/33/806001233.db2.gz GRKJTYVXWVHATG-SECBINFHSA-N -1 0 318.351 -0.189 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CC1CCOCC1)OC ZINC000853204484 806001329 /nfs/dbraw/zinc/00/13/29/806001329.db2.gz YDYLVDMPDOZCSP-NSHDSACASA-N -1 0 309.384 -0.090 20 0 DBADRM CCc1ncncc1C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC ZINC000853200979 805999593 /nfs/dbraw/zinc/99/95/93/805999593.db2.gz ACYMQNVEZIOUTD-SECBINFHSA-N -1 0 317.367 -0.240 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)Cc1c(C)noc1C)OC ZINC000853200659 806000135 /nfs/dbraw/zinc/00/01/35/806000135.db2.gz NDLJBXDMGRGTDO-SNVBAGLBSA-N -1 0 320.367 -0.059 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CCOCC1CC1)OC ZINC000853204536 806000742 /nfs/dbraw/zinc/00/07/42/806000742.db2.gz ZLRYXVQKMCACFA-LLVKDONJSA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CC[C@@H]1CCOC1)OC ZINC000853204432 806001065 /nfs/dbraw/zinc/00/10/65/806001065.db2.gz XSTNUVCEZAAVBA-GHMZBOCLSA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cncc(OC)n1)OC ZINC000853207693 806001724 /nfs/dbraw/zinc/00/17/24/806001724.db2.gz HPBQNLRRMKSKFX-QMMMGPOBSA-N -1 0 319.339 -0.794 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C1(C(=O)OC)CC1)OC ZINC000853207142 806001841 /nfs/dbraw/zinc/00/18/41/806001841.db2.gz ZFANJECJJGTLPW-MRVPVSSYSA-N -1 0 309.340 -0.953 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CCOCC(F)F)OC ZINC000853207641 806001866 /nfs/dbraw/zinc/00/18/66/806001866.db2.gz GDVMUXBEKPBFDJ-QMMMGPOBSA-N -1 0 319.326 -0.234 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cc(OC)n(C)n1)OC ZINC000853205951 806002271 /nfs/dbraw/zinc/00/22/71/806002271.db2.gz LRCBJVLJQIGLFM-MRVPVSSYSA-N -1 0 321.355 -0.850 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cccnc1OC)OC ZINC000853205794 806002450 /nfs/dbraw/zinc/00/24/50/806002450.db2.gz HUAWEZWSRHLZTI-SECBINFHSA-N -1 0 318.351 -0.189 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CCOC[C@@H]1C)OC ZINC000853209235 806002706 /nfs/dbraw/zinc/00/27/06/806002706.db2.gz ZRYYXHNNLGTZKG-AXFHLTTASA-N -1 0 309.384 -0.234 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@]1(C)CCC(=O)NC1)OC ZINC000853208209 806003066 /nfs/dbraw/zinc/00/30/66/806003066.db2.gz RPTJYFZXHAJDHF-JOYOIKCWSA-N -1 0 322.383 -0.990 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)/C=C/[C@H]1CCOC1)OC ZINC000853209582 806003237 /nfs/dbraw/zinc/00/32/37/806003237.db2.gz MJVCKDPBMTUKDS-MJKAUQOVSA-N -1 0 307.368 -0.314 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)n1 ZINC000853210561 806004109 /nfs/dbraw/zinc/00/41/09/806004109.db2.gz ZLMYRKHEVRBXGT-SECBINFHSA-N -1 0 320.371 -0.673 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H](OC)C1CCC1)OC ZINC000853210698 806004146 /nfs/dbraw/zinc/00/41/46/806004146.db2.gz DNLMHIUMMCPYFM-MNOVXSKESA-N -1 0 309.384 -0.091 20 0 DBADRM COC(=O)NC1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000853348147 806004863 /nfs/dbraw/zinc/00/48/63/806004863.db2.gz AZEIKNKPCYEVMH-MRVPVSSYSA-N -1 0 315.326 -0.830 20 0 DBADRM COC(=O)NC1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC000853347697 806005494 /nfs/dbraw/zinc/00/54/94/806005494.db2.gz OABFTMFJEQQSQU-UHFFFAOYSA-N -1 0 315.326 -0.686 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)Cc1cccnc1)OC ZINC000853202314 806001460 /nfs/dbraw/zinc/00/14/60/806001460.db2.gz DBBRYHFKIKAFSU-NSHDSACASA-N -1 0 302.352 -0.269 20 0 DBADRM CCO[N-]C(=O)CNc1noc2ccc(S(N)(=O)=O)cc21 ZINC000853713750 806017450 /nfs/dbraw/zinc/01/74/50/806017450.db2.gz VICXOJVVBNUNNO-UHFFFAOYSA-N -1 0 314.323 -0.045 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCN1C[C@@H](C)OC[C@@H]1C ZINC000854216312 806029967 /nfs/dbraw/zinc/02/99/67/806029967.db2.gz YPIUOOBFDLZWCD-WDEREUQCSA-N -1 0 302.375 -0.538 20 0 DBADRM Nc1n[nH]c(CCNC(=O)CSc2n[n-]c(=S)s2)n1 ZINC000854517823 806040257 /nfs/dbraw/zinc/04/02/57/806040257.db2.gz GIMLRAPKUOUPJA-UHFFFAOYSA-N -1 0 317.425 -0.022 20 0 DBADRM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854610212 806045601 /nfs/dbraw/zinc/04/56/01/806045601.db2.gz DCLXYZQMXBGRRT-SECBINFHSA-N -1 0 320.309 -0.391 20 0 DBADRM O=C(CSCC(=O)N1CCCCC1)Nn1c(=O)[n-][nH]c1=O ZINC000854611094 806046073 /nfs/dbraw/zinc/04/60/73/806046073.db2.gz TWEOEARJZIPOAB-UHFFFAOYSA-N -1 0 315.355 -0.495 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000854610195 806046200 /nfs/dbraw/zinc/04/62/00/806046200.db2.gz CLNBVGDWVPVXRU-MRVPVSSYSA-N -1 0 309.326 -0.059 20 0 DBADRM CCn1ncn([N-]C(=O)c2nnn(-c3cnn(C)c3)c2C)c1=O ZINC000854626460 806046871 /nfs/dbraw/zinc/04/68/71/806046871.db2.gz TZQOLEIXTVTUIS-UHFFFAOYSA-N -1 0 317.313 -0.929 20 0 DBADRM CO[C@](C)(C(=O)Nn1c(=O)[n-][nH]c1=O)C(=O)OC(C)(C)C ZINC000854613091 806047008 /nfs/dbraw/zinc/04/70/08/806047008.db2.gz TWTYVUYXRNHKOO-LLVKDONJSA-N -1 0 302.287 -0.494 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CCCN1Cc1ccccn1 ZINC000854612545 806047055 /nfs/dbraw/zinc/04/70/55/806047055.db2.gz IMGLYIBNEMSRMD-SNVBAGLBSA-N -1 0 304.310 -0.181 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)cc1=O ZINC000854710453 806051939 /nfs/dbraw/zinc/05/19/39/806051939.db2.gz SZDGFTAWCIXYJJ-QMMMGPOBSA-N -1 0 314.342 -0.259 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)CNS(=O)(=O)c1cccnc1 ZINC000854827753 806062311 /nfs/dbraw/zinc/06/23/11/806062311.db2.gz PYRYGDHWJDJRRG-LLVKDONJSA-N -1 0 317.367 -0.575 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1nc(C(N)=O)co1 ZINC000855343205 806074437 /nfs/dbraw/zinc/07/44/37/806074437.db2.gz XKXYOTCIACQJCB-UHFFFAOYSA-N -1 0 322.243 -0.153 20 0 DBADRM C[C@]12COC[C@H]1CN(C(=O)Cn1[n-]cc3c(=O)ncnc1-3)C2 ZINC000855840188 806088883 /nfs/dbraw/zinc/08/88/83/806088883.db2.gz XNICAKQFKYQVOM-OTYXRUKQSA-N -1 0 303.322 -0.434 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1C[C@H](O)C12CCC2 ZINC000855925426 806090413 /nfs/dbraw/zinc/09/04/13/806090413.db2.gz PWERTMKXINTZCU-UWVGGRQHSA-N -1 0 303.322 -0.509 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)[N-]OCCN1CCCC1=O ZINC000856037836 806093818 /nfs/dbraw/zinc/09/38/18/806093818.db2.gz PWKLJDYHWPOMLI-UHFFFAOYSA-N -1 0 314.386 -0.887 20 0 DBADRM NC(=O)c1ccc(OCC(=O)[N-]OCCN2CCCC2=O)cc1 ZINC000856039468 806094314 /nfs/dbraw/zinc/09/43/14/806094314.db2.gz VTIPQXJLOMZQES-UHFFFAOYSA-N -1 0 321.333 -0.166 20 0 DBADRM O=C([N-]OCCN1CCCC1=O)C1(N2CCOCC2)CCC1 ZINC000856042154 806094913 /nfs/dbraw/zinc/09/49/13/806094913.db2.gz UXQBFPMEMPDHPH-UHFFFAOYSA-N -1 0 311.382 -0.089 20 0 DBADRM COC(=O)[C@H]1C[C@@H](N(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000856217007 806097934 /nfs/dbraw/zinc/09/79/34/806097934.db2.gz QPXAIPLFPPWCKD-DTORHVGOSA-N -1 0 319.321 -0.519 20 0 DBADRM Cc1cccc([C@@H]2C(=O)NCCN2C(=O)c2cc(=O)[nH][n-]2)c1 ZINC000856207720 806098059 /nfs/dbraw/zinc/09/80/59/806098059.db2.gz JUJIRRSXAFHTPU-CYBMUJFWSA-N -1 0 300.318 -0.130 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(=O)[N-]OCC2CCC2)cn1C ZINC000856347347 806098515 /nfs/dbraw/zinc/09/85/15/806098515.db2.gz OBYMMEATTKZHLJ-UHFFFAOYSA-N -1 0 316.383 -0.145 20 0 DBADRM Cc1ccccc1COCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000857017114 806107532 /nfs/dbraw/zinc/10/75/32/806107532.db2.gz BJYHSCSFFLCMLI-UHFFFAOYSA-N -1 0 300.336 -0.557 20 0 DBADRM Cn1cc(/C=C\C(=O)N2CCC[C@@]2(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000856961301 806105963 /nfs/dbraw/zinc/10/59/63/806105963.db2.gz GQERXGXREPWLRG-YVACAVLKSA-N -1 0 321.333 -0.437 20 0 DBADRM COC(=O)CCCO[N-]C(=O)C1(n2cnnn2)CCOCC1 ZINC000857260127 806114263 /nfs/dbraw/zinc/11/42/63/806114263.db2.gz SKHJNQHHLAAHEF-UHFFFAOYSA-N -1 0 313.314 -0.820 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000857101111 806108651 /nfs/dbraw/zinc/10/86/51/806108651.db2.gz RZFBUKAECRHABR-YGRLFVJLSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000857287045 806115639 /nfs/dbraw/zinc/11/56/39/806115639.db2.gz KTSGJZMTCUYWMH-WDEREUQCSA-N -1 0 308.400 -0.830 20 0 DBADRM CCn1ncc(Cl)c1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000857718524 806123398 /nfs/dbraw/zinc/12/33/98/806123398.db2.gz OTRJZVRNILZZAU-UHFFFAOYSA-N -1 0 322.774 -0.248 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1noc2c1COCC2 ZINC000857847231 806127772 /nfs/dbraw/zinc/12/77/72/806127772.db2.gz KYQVVDSDTBGSBW-ZETCQYMHSA-N -1 0 304.324 -0.158 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2noc3c2COCC3)CC1 ZINC000857853110 806128045 /nfs/dbraw/zinc/12/80/45/806128045.db2.gz LFYBLWUJVMQXCH-UHFFFAOYSA-N -1 0 316.335 -0.014 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H]1COCCN1 ZINC000858628906 806152936 /nfs/dbraw/zinc/15/29/36/806152936.db2.gz SPLJKMUMOUEOLG-MRVPVSSYSA-N -1 0 308.791 -0.351 20 0 DBADRM O=C(Cn1ccc(C(F)F)n1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000859279069 806181588 /nfs/dbraw/zinc/18/15/88/806181588.db2.gz XYXDHLLSRQNNTF-MRVPVSSYSA-N -1 0 313.268 -0.066 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000859278085 806181789 /nfs/dbraw/zinc/18/17/89/806181789.db2.gz JYXGDHYNGIIMTO-MNOVXSKESA-N -1 0 310.358 -0.350 20 0 DBADRM COCOCCC[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000859385694 806189516 /nfs/dbraw/zinc/18/95/16/806189516.db2.gz UCAIMLQORMDADJ-UHFFFAOYSA-N -1 0 308.312 -0.250 20 0 DBADRM CC(C)(C)CNC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000859551358 806199650 /nfs/dbraw/zinc/19/96/50/806199650.db2.gz TWHGFRBHTCBGQF-UHFFFAOYSA-N -1 0 321.337 -0.223 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c1 ZINC000859775299 806204651 /nfs/dbraw/zinc/20/46/51/806204651.db2.gz OWFBEAMOODUJIR-MWLCHTKSSA-N -1 0 318.285 -0.045 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000859775209 806204809 /nfs/dbraw/zinc/20/48/09/806204809.db2.gz MCPYMWOGNYYEAJ-HTQZYQBOSA-N -1 0 319.273 -0.650 20 0 DBADRM Cn1ncnc1COC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859923891 806210532 /nfs/dbraw/zinc/21/05/32/806210532.db2.gz GOEDKCIUTUEHCK-UHFFFAOYSA-N -1 0 311.323 -0.061 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@H]2CCCNC2=O)cn1 ZINC000859924806 806210644 /nfs/dbraw/zinc/21/06/44/806210644.db2.gz ZFFBOEILGHYMMY-VIFPVBQESA-N -1 0 313.335 -0.112 20 0 DBADRM CC[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(N)=O ZINC000859922495 806210917 /nfs/dbraw/zinc/21/09/17/806210917.db2.gz IOGRWRBVEUFKIA-QMMMGPOBSA-N -1 0 301.324 -0.126 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OC[C@@H]2CCC(=O)N2)cn1 ZINC000859923093 806211167 /nfs/dbraw/zinc/21/11/67/806211167.db2.gz JIICVTALSOZZRC-VIFPVBQESA-N -1 0 313.335 -0.112 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OC[C@@H]2CNC(=O)O2)cn1 ZINC000859924236 806211249 /nfs/dbraw/zinc/21/12/49/806211249.db2.gz OOZXQWWYRVVMGF-QMMMGPOBSA-N -1 0 315.307 -0.282 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000860081563 806217783 /nfs/dbraw/zinc/21/77/83/806217783.db2.gz IKJUQNCLFRMDLJ-ZCFIWIBFSA-N -1 0 302.287 -0.561 20 0 DBADRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)c1 ZINC000860449775 806231570 /nfs/dbraw/zinc/23/15/70/806231570.db2.gz LMDANVKHJAFRBZ-JTQLQIEISA-N -1 0 312.303 -0.198 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2F)O1 ZINC000860451359 806231860 /nfs/dbraw/zinc/23/18/60/806231860.db2.gz ZKLNWYQSXIUCTK-DTWKUNHWSA-N -1 0 316.310 -0.337 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C ZINC000860447507 806231909 /nfs/dbraw/zinc/23/19/09/806231909.db2.gz OVOMLKGVSOWOPF-VIFPVBQESA-N -1 0 303.340 -0.133 20 0 DBADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1COC(=O)N1 ZINC000860454412 806232082 /nfs/dbraw/zinc/23/20/82/806232082.db2.gz WGHJROJPZDOIIB-JTQLQIEISA-N -1 0 313.335 -0.412 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccnc2)O1 ZINC000860448237 806232102 /nfs/dbraw/zinc/23/21/02/806232102.db2.gz BGDWGDFKKMIIOT-ZJUUUORDSA-N -1 0 314.319 -0.393 20 0 DBADRM CN1CC(=O)Nc2cc(C(=O)[N-]S(=O)(=O)CC3CC3)cnc21 ZINC000860543885 806234823 /nfs/dbraw/zinc/23/48/23/806234823.db2.gz FNESFINLTGRCAU-UHFFFAOYSA-N -1 0 324.362 -0.061 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@H]1CNC(=O)c2ccccc21 ZINC000860545554 806234920 /nfs/dbraw/zinc/23/49/20/806234920.db2.gz FEGSJTSKWSNELN-CABZTGNLSA-N -1 0 324.358 -0.252 20 0 DBADRM CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000860541733 806235076 /nfs/dbraw/zinc/23/50/76/806235076.db2.gz FYFYLXPUNJCCON-ZJUUUORDSA-N -1 0 306.384 -0.099 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(C(=O)OC)cn1 ZINC000860546067 806235166 /nfs/dbraw/zinc/23/51/66/806235166.db2.gz XKWQUTCQMAZGDU-QMMMGPOBSA-N -1 0 319.339 -0.849 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC000860540488 806235296 /nfs/dbraw/zinc/23/52/96/806235296.db2.gz ZNTYLDOFLGPHHZ-UHFFFAOYSA-N -1 0 321.399 -0.738 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)c1ccnc(N2CCOCC2)n1 ZINC000860538872 806235328 /nfs/dbraw/zinc/23/53/28/806235328.db2.gz DJPSQZFGQBPQSI-UHFFFAOYSA-N -1 0 300.340 -0.607 20 0 DBADRM CN(C[C@H](O)CO)C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000860536254 806235335 /nfs/dbraw/zinc/23/53/35/806235335.db2.gz NGOVCCUIBQZXBS-ZETCQYMHSA-N -1 0 324.255 -0.117 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CC2CC2)C1 ZINC000860543076 806235424 /nfs/dbraw/zinc/23/54/24/806235424.db2.gz JIVUAFIVWLGMMU-JTQLQIEISA-N -1 0 324.424 -0.486 20 0 DBADRM Cc1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c2nccn2c1 ZINC000860569104 806236428 /nfs/dbraw/zinc/23/64/28/806236428.db2.gz IQCGTOBINACVJC-UHFFFAOYSA-N -1 0 324.362 -0.050 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C ZINC000860667017 806241717 /nfs/dbraw/zinc/24/17/17/806241717.db2.gz XDZGIHUPQNPSCE-AEJSXWLSSA-N -1 0 322.383 -0.599 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)Cn1cc(C(=O)OC)cn1 ZINC000860599582 806237916 /nfs/dbraw/zinc/23/79/16/806237916.db2.gz MKEVDMXNYNVTOJ-UHFFFAOYSA-N -1 0 318.355 -0.628 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)O1 ZINC000860643498 806240565 /nfs/dbraw/zinc/24/05/65/806240565.db2.gz YKAQGKBRSKAHCW-AEJSXWLSSA-N -1 0 321.351 -0.668 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)c1nnn[n-]1 ZINC000860785912 806246435 /nfs/dbraw/zinc/24/64/35/806246435.db2.gz NDELLGOJKKNZGS-ZDLIJIFBSA-N -1 0 321.337 -0.518 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccn2C)O1 ZINC000860825407 806248426 /nfs/dbraw/zinc/24/84/26/806248426.db2.gz HVAOCFDYBDAGIN-BDAKNGLRSA-N -1 0 316.335 -0.449 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1nnn[n-]1 ZINC000860839523 806248867 /nfs/dbraw/zinc/24/88/67/806248867.db2.gz YTJJEIDUYNJPSM-APPZFPTMSA-N -1 0 312.330 -0.502 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cn(C2CC2)nn1)OC ZINC000860892913 806252672 /nfs/dbraw/zinc/25/26/72/806252672.db2.gz ZJFRNBZFKXTMJS-VIFPVBQESA-N -1 0 318.355 -0.666 20 0 DBADRM CN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001318025220 806253121 /nfs/dbraw/zinc/25/31/21/806253121.db2.gz DXDXIRHOMKUQKX-PHDIDXHHSA-N -1 0 317.289 -0.634 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000861143504 806257361 /nfs/dbraw/zinc/25/73/61/806257361.db2.gz MQMVIEAOSRFMNG-BDAKNGLRSA-N -1 0 306.384 -0.085 20 0 DBADRM Cn1cc(CCC(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)nn1 ZINC000861141250 806257369 /nfs/dbraw/zinc/25/73/69/806257369.db2.gz SVDQGUSURRFISD-JTQLQIEISA-N -1 0 316.383 -0.239 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000861141868 806257544 /nfs/dbraw/zinc/25/75/44/806257544.db2.gz IYMMKCABSCNONB-MRVPVSSYSA-N -1 0 308.356 -0.254 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000861141869 806257810 /nfs/dbraw/zinc/25/78/10/806257810.db2.gz IYMMKCABSCNONB-QMMMGPOBSA-N -1 0 308.356 -0.254 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000861138419 806257945 /nfs/dbraw/zinc/25/79/45/806257945.db2.gz GSDNGLQLGGXJFK-QMMMGPOBSA-N -1 0 307.372 -0.681 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@H]1CCOC(=O)N1 ZINC000861240804 806261786 /nfs/dbraw/zinc/26/17/86/806261786.db2.gz HEJPYZBOOJCJDR-SECBINFHSA-N -1 0 304.266 -0.195 20 0 DBADRM CCOC(=O)C1=CC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000861718845 806283267 /nfs/dbraw/zinc/28/32/67/806283267.db2.gz RBCSGQQWFUCISW-JTQLQIEISA-N -1 0 312.322 -0.265 20 0 DBADRM CCOC[C@H]1CN(C(=O)C(=O)NCCCCC(=O)[O-])CCO1 ZINC000861723540 806284490 /nfs/dbraw/zinc/28/44/90/806284490.db2.gz KCJKUQIYCMQSIX-LLVKDONJSA-N -1 0 316.354 -0.379 20 0 DBADRM COC(=O)C1=CC[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000861722269 806284546 /nfs/dbraw/zinc/28/45/46/806284546.db2.gz YOSXWZAJJWSTRV-UWVGGRQHSA-N -1 0 310.306 -0.703 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC000861722286 806284591 /nfs/dbraw/zinc/28/45/91/806284591.db2.gz YUAKRPANJFWLRB-GXSJLCMTSA-N -1 0 323.353 -0.517 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000861720801 806284610 /nfs/dbraw/zinc/28/46/10/806284610.db2.gz HRTCIADEZMRQMK-RWSFTLGLSA-N -1 0 310.350 -0.007 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)n1 ZINC000861722209 806284685 /nfs/dbraw/zinc/28/46/85/806284685.db2.gz YHFXNBSPUYRNCI-SNVBAGLBSA-N -1 0 323.353 -0.373 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000861721122 806284712 /nfs/dbraw/zinc/28/47/12/806284712.db2.gz PUGUXAUNYAEJFW-MWLCHTKSSA-N -1 0 323.353 -0.517 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CO[C@H](C3CC3)C2)C1 ZINC000861720802 806284721 /nfs/dbraw/zinc/28/47/21/806284721.db2.gz HRTCIADEZMRQMK-ZETOZRRWSA-N -1 0 310.350 -0.007 20 0 DBADRM COC(=O)C1=CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000861722272 806284748 /nfs/dbraw/zinc/28/47/48/806284748.db2.gz YOSXWZAJJWSTRV-ZJUUUORDSA-N -1 0 310.306 -0.703 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2COCO2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000861970307 806306144 /nfs/dbraw/zinc/30/61/44/806306144.db2.gz FNADVBKWDBGDHU-SSDOTTSWSA-N -1 0 306.278 -0.153 20 0 DBADRM Cc1cc(C(=O)NN2CCOC2=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000862700911 806330860 /nfs/dbraw/zinc/33/08/60/806330860.db2.gz ZOJYCOXADVZFRS-UHFFFAOYSA-N -1 0 305.250 -0.159 20 0 DBADRM O=C([N-]N1CCS(=O)(=O)CC1)C(F)(F)c1nccs1 ZINC000862732575 806332619 /nfs/dbraw/zinc/33/26/19/806332619.db2.gz AZZSIJFQEYGKJH-UHFFFAOYSA-N -1 0 311.335 -0.004 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000863006204 806343185 /nfs/dbraw/zinc/34/31/85/806343185.db2.gz NQKDFQOMCAFVJA-JXVAYASWSA-N -1 0 305.338 -0.001 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000863015804 806344580 /nfs/dbraw/zinc/34/45/80/806344580.db2.gz GYMQDIULPGJMBB-LURJTMIESA-N -1 0 314.260 -0.516 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)Cn1cc(C2CC2)nn1 ZINC001319143684 806348323 /nfs/dbraw/zinc/34/83/23/806348323.db2.gz JESZQWVDFPMNIH-UHFFFAOYSA-N -1 0 302.356 -0.362 20 0 DBADRM CC(=O)C[C@@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000863410506 806355926 /nfs/dbraw/zinc/35/59/26/806355926.db2.gz FLUFMYQRFDKKBL-MRVPVSSYSA-N -1 0 301.324 -0.460 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000863287500 806351037 /nfs/dbraw/zinc/35/10/37/806351037.db2.gz LMQMTVKFWVSMND-ONGXEEELSA-N -1 0 303.322 -0.245 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCCO[C@H]1CCOC1 ZINC001319242976 806356705 /nfs/dbraw/zinc/35/67/05/806356705.db2.gz BWXRCWKWLVBCGG-JTQLQIEISA-N -1 0 321.337 -0.617 20 0 DBADRM COC1CCN(S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-])CC1 ZINC000863417793 806357371 /nfs/dbraw/zinc/35/73/71/806357371.db2.gz XDLQCTVFLLUPLA-NSHDSACASA-N -1 0 324.399 -0.190 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)n1C ZINC000863409881 806356633 /nfs/dbraw/zinc/35/66/33/806356633.db2.gz NJKAMJWWOWTLKD-MWLCHTKSSA-N -1 0 317.367 -0.113 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000863747159 806371120 /nfs/dbraw/zinc/37/11/20/806371120.db2.gz NMMICWWSAZBLKO-NXEZZACHSA-N -1 0 324.333 -0.669 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)CC[C@H]1C(=O)[O-] ZINC000863747774 806371174 /nfs/dbraw/zinc/37/11/74/806371174.db2.gz RVNLFYDMMPSGRP-GWOFURMSSA-N -1 0 324.333 -0.813 20 0 DBADRM COC[C@]1(C)CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCO1 ZINC000863830273 806377492 /nfs/dbraw/zinc/37/74/92/806377492.db2.gz VBVIXNDLRLFCIF-AWEZNQCLSA-N -1 0 321.337 -0.665 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC000864059060 806386675 /nfs/dbraw/zinc/38/66/75/806386675.db2.gz ZOTMCJSSCJAGBD-UONOGXRCSA-N -1 0 312.322 -0.175 20 0 DBADRM CCn1cc(C(=O)C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cn1 ZINC001319524990 806387159 /nfs/dbraw/zinc/38/71/59/806387159.db2.gz LOCPCALTPVGFJY-SECBINFHSA-N -1 0 305.298 -0.801 20 0 DBADRM CS(=O)(=O)NCCNC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864109792 806390100 /nfs/dbraw/zinc/39/01/00/806390100.db2.gz ZBJZMDOLJCTGFW-HWKANZROSA-N -1 0 302.308 -0.344 20 0 DBADRM COc1ccc(C(=O)NCCOCC(=O)[O-])cc1-n1cnnn1 ZINC000864171812 806390890 /nfs/dbraw/zinc/39/08/90/806390890.db2.gz HVQRKQXSIXYRQF-UHFFFAOYSA-N -1 0 321.293 -0.498 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@H]2CC=C(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000864163757 806390909 /nfs/dbraw/zinc/39/09/09/806390909.db2.gz UVQNNAIWCXCXKX-QZPNVGJNSA-N -1 0 319.317 -0.613 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000864166297 806390963 /nfs/dbraw/zinc/39/09/63/806390963.db2.gz WEYHGCLNJHUVJD-SNVBAGLBSA-N -1 0 320.367 -0.768 20 0 DBADRM O=C([O-])COCCNC(=O)CCS(=O)(=O)C1CCCC1 ZINC000864171655 806391078 /nfs/dbraw/zinc/39/10/78/806391078.db2.gz AOHUNUXZEITHFF-UHFFFAOYSA-N -1 0 307.368 -0.049 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CSCN2C(C)=O)C1 ZINC000864170562 806391271 /nfs/dbraw/zinc/39/12/71/806391271.db2.gz PHIKZCFILREYOL-JOYOIKCWSA-N -1 0 302.352 -0.390 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000864167114 806391612 /nfs/dbraw/zinc/39/16/12/806391612.db2.gz BZXYWXYSGQQOCI-NSHDSACASA-N -1 0 321.337 -0.142 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC000864209850 806392347 /nfs/dbraw/zinc/39/23/47/806392347.db2.gz NUTTYEJBRUKWOH-JOAULVNJSA-N -1 0 304.368 -0.316 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)CNC(=O)Cc1ccccc1 ZINC000864212403 806392393 /nfs/dbraw/zinc/39/23/93/806392393.db2.gz JUIZCMUHCTZJEV-IUODEOHRSA-N -1 0 320.345 -0.049 20 0 DBADRM CN1C(=O)C[C@H](N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1=O ZINC000864350585 806394568 /nfs/dbraw/zinc/39/45/68/806394568.db2.gz GRXDMLGIEUUEDI-CPCISQLKSA-N -1 0 307.272 -0.113 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1=O ZINC000864496958 806395157 /nfs/dbraw/zinc/39/51/57/806395157.db2.gz WRJMSPQZGSQIRJ-CABZTGNLSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000864495459 806395616 /nfs/dbraw/zinc/39/56/16/806395616.db2.gz HRHXGYJOALYXKP-GWCFXTLKSA-N -1 0 316.379 -0.124 20 0 DBADRM COCCCNC(=O)[C@H](C)S(=O)(=O)c1nc(COC)n[n-]1 ZINC001319690520 806402238 /nfs/dbraw/zinc/40/22/38/806402238.db2.gz LYVPRDPLXWFZBP-QMMMGPOBSA-N -1 0 320.371 -0.734 20 0 DBADRM O=C(NCc1ccnc(-n2cccn2)c1)c1n[nH]c(=O)[n-]c1=O ZINC001319626906 806397438 /nfs/dbraw/zinc/39/74/38/806397438.db2.gz ORYYKFCPSSWGAY-UHFFFAOYSA-N -1 0 313.277 -0.207 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NCCS(C)(=O)=O)cc1 ZINC000865459407 806417233 /nfs/dbraw/zinc/41/72/33/806417233.db2.gz XXMCKAITBQOYPM-UHFFFAOYSA-N -1 0 311.367 -0.392 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1 ZINC001319992475 806427601 /nfs/dbraw/zinc/42/76/01/806427601.db2.gz TXTKWGYKQGUMPG-UHFFFAOYSA-N -1 0 301.328 -0.449 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cc(Br)no2)C1=O ZINC000865970326 806430521 /nfs/dbraw/zinc/43/05/21/806430521.db2.gz QKHGBNOFUJZQHO-UHFFFAOYSA-N -1 0 303.072 -0.024 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCOC[C@@H]1CCOC1 ZINC000866759749 806456434 /nfs/dbraw/zinc/45/64/34/806456434.db2.gz CTACTLZELLWHIO-MLCYQJTMSA-N -1 0 314.429 -0.008 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCOC[C@@H]1CCOC1 ZINC000866759748 806456459 /nfs/dbraw/zinc/45/64/59/806456459.db2.gz CTACTLZELLWHIO-MGNBDDOMSA-N -1 0 314.429 -0.008 20 0 DBADRM COC1(C[N-]S(=O)(=O)N=S(C)(C)=O)CCOCC1 ZINC000866994874 806466679 /nfs/dbraw/zinc/46/66/79/806466679.db2.gz RXSTUJRQVWHZBD-UHFFFAOYSA-N -1 0 300.402 -0.256 20 0 DBADRM COC[C@H](C[N-]S(=O)(=O)N=S1(=O)CCCC1)OC ZINC000867077230 806470506 /nfs/dbraw/zinc/47/05/06/806470506.db2.gz MIRWNKOAAGOCSX-VIFPVBQESA-N -1 0 300.402 -0.256 20 0 DBADRM Cn1nc2c(c1S(=O)(=O)[N-]N1CCCNC1=O)CCCC2 ZINC000867153670 806475738 /nfs/dbraw/zinc/47/57/38/806475738.db2.gz DQHQOSWBVRGHAO-UHFFFAOYSA-N -1 0 313.383 -0.093 20 0 DBADRM COCCN(C)CC[N-]S(=O)(=O)c1occc1C(=O)OC ZINC000867146346 806476226 /nfs/dbraw/zinc/47/62/26/806476226.db2.gz QBQWMBZVEBJQDQ-UHFFFAOYSA-N -1 0 320.367 -0.077 20 0 DBADRM COCC[C@@]1([N-]S(=O)(=O)N=S(C)(C)=O)CCOC1 ZINC000867199528 806479834 /nfs/dbraw/zinc/47/98/34/806479834.db2.gz NHARSEVZUBGHNC-SECBINFHSA-N -1 0 300.402 -0.256 20 0 DBADRM C[S@@](=O)C1(C[N-]S(=O)(=O)N=S(C)(C)=O)CCC1 ZINC000867223505 806480699 /nfs/dbraw/zinc/48/06/99/806480699.db2.gz KNQZIEMRHWLTEX-OAHLLOKOSA-N -1 0 302.443 -0.150 20 0 DBADRM C[C@H](CN(C)C(=O)CCC[C@@]1(C)NC(=O)NC1=O)c1nnn[n-]1 ZINC001320397230 806485734 /nfs/dbraw/zinc/48/57/34/806485734.db2.gz CPMDPGLHAWFNMN-AMIZOPFISA-N -1 0 323.357 -0.470 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C1COCCOC1 ZINC000867297386 806486363 /nfs/dbraw/zinc/48/63/63/806486363.db2.gz BNKZILQYMMHBQB-UHFFFAOYSA-N -1 0 300.402 -0.256 20 0 DBADRM CCN1C[C@@H]([N-]S(=O)(=O)N=S2(=O)CCCC2)CC1=O ZINC000867353340 806491748 /nfs/dbraw/zinc/49/17/48/806491748.db2.gz XQBKGZXYZKZIJU-VIFPVBQESA-N -1 0 309.413 -0.297 20 0 DBADRM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)C1=O ZINC000867445134 806499191 /nfs/dbraw/zinc/49/91/91/806499191.db2.gz AZIQZFZLUUPYMU-QMMMGPOBSA-N -1 0 311.429 -0.052 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)C1CCOCC1 ZINC000867497408 806502529 /nfs/dbraw/zinc/50/25/29/806502529.db2.gz BJEAQGSIYXCVRX-SNVBAGLBSA-N -1 0 314.429 -0.010 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H]1COCCN1C ZINC000867563124 806507889 /nfs/dbraw/zinc/50/78/89/806507889.db2.gz WKAGIICWRPHRDW-JTQLQIEISA-N -1 0 313.445 -0.341 20 0 DBADRM CN(C)c1nc2cc(NC(=O)C(=O)[N-]OCC(N)=O)ccc2o1 ZINC001320617074 806510694 /nfs/dbraw/zinc/51/06/94/806510694.db2.gz AKSRBTYETSLOTL-UHFFFAOYSA-N -1 0 321.293 -0.635 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)C(=O)Nc1ccc2c(c1)CCO2 ZINC001320626338 806511688 /nfs/dbraw/zinc/51/16/88/806511688.db2.gz RENNLRVUUHRKOK-UHFFFAOYSA-N -1 0 303.278 -0.300 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1cccnc1-n1cncn1 ZINC001320695661 806517321 /nfs/dbraw/zinc/51/73/21/806517321.db2.gz FWBDQJCQXGWSRG-UHFFFAOYSA-N -1 0 306.311 -0.408 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NOCC(N)=O ZINC001320690592 806517489 /nfs/dbraw/zinc/51/74/89/806517489.db2.gz IHSIZFPRKPWIBQ-UHFFFAOYSA-N -1 0 305.287 -0.656 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC001320689994 806518002 /nfs/dbraw/zinc/51/80/02/806518002.db2.gz ANLGWMYLJJGNDF-UHFFFAOYSA-N -1 0 313.285 -0.053 20 0 DBADRM CC[C@@H](C)n1ncc(NC(=O)C(=O)NCc2nnn[n-]2)c1C ZINC001320722361 806520586 /nfs/dbraw/zinc/52/05/86/806520586.db2.gz CWGWBVFLYNECGO-SSDOTTSWSA-N -1 0 306.330 -0.069 20 0 DBADRM CC(C)N1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000868348978 806544449 /nfs/dbraw/zinc/54/44/49/806544449.db2.gz RNSLKAIIEFMUAO-GFCCVEGCSA-N -1 0 311.382 -0.138 20 0 DBADRM CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000868337664 806544576 /nfs/dbraw/zinc/54/45/76/806544576.db2.gz HFFYCGCUYWVUCT-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC001320923841 806542840 /nfs/dbraw/zinc/54/28/40/806542840.db2.gz WLLHWXCHVSIXDV-UHFFFAOYSA-N -1 0 302.290 -0.041 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)CC2)C1 ZINC000868331656 806543030 /nfs/dbraw/zinc/54/30/30/806543030.db2.gz KRWBSLDRLJMXHJ-LLVKDONJSA-N -1 0 309.366 -0.384 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](CCO)C2)C1 ZINC000868347759 806543954 /nfs/dbraw/zinc/54/39/54/806543954.db2.gz JGVJBSODBNEYJB-NWDGAFQWSA-N -1 0 312.366 -0.069 20 0 DBADRM CCOC(CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)OCC ZINC001320964436 806547353 /nfs/dbraw/zinc/54/73/53/806547353.db2.gz XHKFFYFZLGZNLE-UHFFFAOYSA-N -1 0 323.353 -0.023 20 0 DBADRM Cc1cnn(CC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)c1 ZINC001320987376 806551213 /nfs/dbraw/zinc/55/12/13/806551213.db2.gz ZTVOPHBYUREBPN-NSCUHMNNSA-N -1 0 305.342 -0.523 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(-n2cncn2)nc1 ZINC001321006194 806555311 /nfs/dbraw/zinc/55/53/11/806555311.db2.gz IOCRFRRJKQPIBP-UHFFFAOYSA-N -1 0 301.266 -0.689 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCn1cnccc1=O ZINC000869106809 806573169 /nfs/dbraw/zinc/57/31/69/806573169.db2.gz RIYCVKRMDVDAMF-UHFFFAOYSA-N -1 0 320.271 -0.183 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)[N-]OCCN2CCCC2=O)C[C@H]1C ZINC000869284085 806578582 /nfs/dbraw/zinc/57/85/82/806578582.db2.gz XPEOUOZXQQKNHE-CKYFFXLPSA-N -1 0 314.338 -0.377 20 0 DBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)[N-]OCC(F)F)cc1 ZINC001321198118 806585841 /nfs/dbraw/zinc/58/58/41/806585841.db2.gz VXMWHWONGAXWDR-UHFFFAOYSA-N -1 0 323.277 -0.415 20 0 DBADRM CCO[C@@H](C(=O)[N-]S(=O)(=O)N1CCCC1)[C@@H]1CCOC1 ZINC000870168624 806596474 /nfs/dbraw/zinc/59/64/74/806596474.db2.gz HBMBUXJRGIEJNC-GHMZBOCLSA-N -1 0 306.384 -0.115 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)COC)[C@H]1CCOC1 ZINC000870205631 806597260 /nfs/dbraw/zinc/59/72/60/806597260.db2.gz SQAFFVCPGFTYEB-DCAQKATOSA-N -1 0 309.384 -0.091 20 0 DBADRM CCO[C@@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)[C@H]1CCOC1 ZINC000870214301 806597400 /nfs/dbraw/zinc/59/74/00/806597400.db2.gz LDXFYZCCUOXQHH-WDEREUQCSA-N -1 0 322.383 -0.879 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@]12CCC[C@H]1OCC2 ZINC000870214137 806597414 /nfs/dbraw/zinc/59/74/14/806597414.db2.gz IKAIVIXMKXIQJT-PWSUYJOCSA-N -1 0 304.368 -0.361 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)C1(F)CCOCC1 ZINC000870202695 806597453 /nfs/dbraw/zinc/59/74/53/806597453.db2.gz OYJIKWGALGTAEQ-UHFFFAOYSA-N -1 0 311.331 -0.096 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)COC)[C@@H]1CCOC1 ZINC000870205632 806597564 /nfs/dbraw/zinc/59/75/64/806597564.db2.gz SQAFFVCPGFTYEB-MXWKQRLJSA-N -1 0 309.384 -0.091 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000870276152 806598592 /nfs/dbraw/zinc/59/85/92/806598592.db2.gz SNRWQLWMVDYSOM-WDEREUQCSA-N -1 0 304.368 -0.378 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000870278215 806598673 /nfs/dbraw/zinc/59/86/73/806598673.db2.gz SJNOOFTZETXIFA-WDEREUQCSA-N -1 0 304.368 -0.378 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(C)=O ZINC000870290691 806598754 /nfs/dbraw/zinc/59/87/54/806598754.db2.gz ZHSDZTIBALDTCJ-NSHDSACASA-N -1 0 306.384 -0.130 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000870351723 806599488 /nfs/dbraw/zinc/59/94/88/806599488.db2.gz ABJWEWXMYXPLER-NWDGAFQWSA-N -1 0 318.395 -0.130 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)[C@H]1CCOC1 ZINC000870320680 806599687 /nfs/dbraw/zinc/59/96/87/806599687.db2.gz RQCFAIXPXLJKNW-VWYCJHECSA-N -1 0 309.384 -0.091 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001321362718 806613621 /nfs/dbraw/zinc/61/36/21/806613621.db2.gz DXHDETVGDGKQDZ-ZMWSMAPVSA-N -1 0 322.369 -0.717 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC001321436390 806625672 /nfs/dbraw/zinc/62/56/72/806625672.db2.gz HUQHDEWGVFUIAD-QMMMGPOBSA-N -1 0 324.366 -0.645 20 0 DBADRM COc1cc(CNC(=O)C(=O)[N-]OC2CCOCC2)ccn1 ZINC001321482816 806629790 /nfs/dbraw/zinc/62/97/90/806629790.db2.gz QSIYRPAEMNRIFG-UHFFFAOYSA-N -1 0 309.322 -0.067 20 0 DBADRM C[C@H]1CN(c2cc(C(=O)[O-])ncn2)CCN1S(C)(=O)=O ZINC000871594296 806640077 /nfs/dbraw/zinc/64/00/77/806640077.db2.gz HWJDUUZFNLFDHX-QMMMGPOBSA-N -1 0 300.340 -0.355 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000871996071 806646002 /nfs/dbraw/zinc/64/60/02/806646002.db2.gz LUODNUWHZPPRCG-DCHHYWPUSA-N -1 0 316.379 -0.207 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)cc1N(C)C ZINC000871996767 806646136 /nfs/dbraw/zinc/64/61/36/806646136.db2.gz GIPYOYOEQUUWBE-UHFFFAOYSA-N -1 0 314.363 -0.119 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)CCc2ccc(F)cc2)C1 ZINC000871996934 806646859 /nfs/dbraw/zinc/64/68/59/806646859.db2.gz ICKXGMINOWPOPN-UHFFFAOYSA-N -1 0 303.311 -0.171 20 0 DBADRM CCNC(=O)c1cccc(CNC(=O)C(=O)[N-]OCCOC)c1 ZINC001321684330 806657593 /nfs/dbraw/zinc/65/75/93/806657593.db2.gz BTDYSGYSGJMIAV-UHFFFAOYSA-N -1 0 323.349 -0.253 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC001321689179 806658217 /nfs/dbraw/zinc/65/82/17/806658217.db2.gz JADXOZPHSUPNBA-UHFFFAOYSA-N -1 0 320.305 -0.715 20 0 DBADRM CC(=O)Nc1ccc(C)c(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC001321690025 806658482 /nfs/dbraw/zinc/65/84/82/806658482.db2.gz RBXYUYJGHWJXHH-UHFFFAOYSA-N -1 0 308.294 -0.575 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]OC[C@@H]1CCOC1 ZINC001321781826 806669364 /nfs/dbraw/zinc/66/93/64/806669364.db2.gz DLLYGHOYHTYVAG-VXGBXAGGSA-N -1 0 313.354 -0.802 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872766014 806671967 /nfs/dbraw/zinc/67/19/67/806671967.db2.gz MTHURFLPMCXBBD-JOYOIKCWSA-N -1 0 304.368 -0.266 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000873505344 806686677 /nfs/dbraw/zinc/68/66/77/806686677.db2.gz MAPYAZMTFKJSNA-UWVGGRQHSA-N -1 0 304.368 -0.379 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000873517627 806687877 /nfs/dbraw/zinc/68/78/77/806687877.db2.gz OORYUADCKGYKFP-LPEHRKFASA-N -1 0 305.352 -0.189 20 0 DBADRM CNC(=O)c1ccc(CNC(=O)C(=O)[N-]OCCOC)cc1 ZINC001322005968 806699245 /nfs/dbraw/zinc/69/92/45/806699245.db2.gz VPIHBDAPVAIGOV-UHFFFAOYSA-N -1 0 309.322 -0.643 20 0 DBADRM COCCN(C(=O)NCCOCC(=O)[O-])C1CCOCC1 ZINC000874409151 806707129 /nfs/dbraw/zinc/70/71/29/806707129.db2.gz UIFGRPUCGKXUHQ-UHFFFAOYSA-N -1 0 304.343 -0.075 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)c1cccc(Cl)c1[O-] ZINC000874898252 806720282 /nfs/dbraw/zinc/72/02/82/806720282.db2.gz NVJHUMWDOKEXNW-UHFFFAOYSA-N -1 0 313.741 -0.020 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC([C@@H](C)C(=O)OCC)C1 ZINC000875697313 806762893 /nfs/dbraw/zinc/76/28/93/806762893.db2.gz BGYBBJCMXZEQBA-SECBINFHSA-N -1 0 301.343 -0.105 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001322689556 806768188 /nfs/dbraw/zinc/76/81/88/806768188.db2.gz ONVKVXYWWWMHKJ-QMMMGPOBSA-N -1 0 315.297 -0.910 20 0 DBADRM Cc1nn2cccnc2c1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001322692222 806769188 /nfs/dbraw/zinc/76/91/88/806769188.db2.gz VVXCWZGRMOJTDE-SECBINFHSA-N -1 0 314.309 -0.235 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H](C)CS(=O)(=O)CC ZINC001322762909 806777181 /nfs/dbraw/zinc/77/71/81/806777181.db2.gz ILFDKMKTQWNGEF-VIFPVBQESA-N -1 0 310.372 -0.990 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)[N-]OC[C@H]1CCOC1)C(F)(F)F ZINC001322826946 806787253 /nfs/dbraw/zinc/78/72/53/806787253.db2.gz FQISSSVRWSWOLO-YUMQZZPRSA-N -1 0 314.260 -0.236 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCNC(=O)c1ccc(C)cc1 ZINC001322880775 806793765 /nfs/dbraw/zinc/79/37/65/806793765.db2.gz QWCWVRWGPFMHSC-UHFFFAOYSA-N -1 0 323.349 -0.465 20 0 DBADRM C[C@@H](O)CC(C)(C)CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001323143084 806828827 /nfs/dbraw/zinc/82/88/27/806828827.db2.gz GMXGSTZBLDKDCT-GHMZBOCLSA-N -1 0 302.371 -0.016 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)O1 ZINC001323236221 806840944 /nfs/dbraw/zinc/84/09/44/806840944.db2.gz CBXPMYZAJNTCDQ-ZJUUUORDSA-N -1 0 302.327 -0.662 20 0 DBADRM Cn1[nH]cnc1=NC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879004107 806874697 /nfs/dbraw/zinc/87/46/97/806874697.db2.gz XTKGEZZXRHLAGQ-SNVBAGLBSA-N -1 0 320.275 -0.088 20 0 DBADRM CC1(CCNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)OCCO1 ZINC001323497629 806880292 /nfs/dbraw/zinc/88/02/92/806880292.db2.gz KCGDJTFKUGZSDR-SNVBAGLBSA-N -1 0 302.327 -0.660 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001323503522 806881125 /nfs/dbraw/zinc/88/11/25/806881125.db2.gz HTEQVJMHKBRGOI-ZLWQNGGKSA-N -1 0 304.290 -0.130 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C1=O ZINC001323537262 806885449 /nfs/dbraw/zinc/88/54/49/806885449.db2.gz FBLOHZRLWBRCST-MRVPVSSYSA-N -1 0 300.340 -0.988 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C1=O ZINC001323537263 806886049 /nfs/dbraw/zinc/88/60/49/806886049.db2.gz FBLOHZRLWBRCST-QMMMGPOBSA-N -1 0 300.340 -0.988 20 0 DBADRM COc1ccc(OC)c(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC001323594006 806893097 /nfs/dbraw/zinc/89/30/97/806893097.db2.gz ZXJFYOCFXSOQLI-UHFFFAOYSA-N -1 0 321.293 -0.218 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCCOc1ncccc1F ZINC001323683290 806903617 /nfs/dbraw/zinc/90/36/17/806903617.db2.gz VSWYZQMKQWBLOF-UHFFFAOYSA-N -1 0 315.301 -0.200 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000880390406 806922880 /nfs/dbraw/zinc/92/28/80/806922880.db2.gz QVAUAYLNXUKIFJ-LURJTMIESA-N -1 0 322.243 -0.125 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000880389649 806923094 /nfs/dbraw/zinc/92/30/94/806923094.db2.gz JPKMCUVUQXCMHA-ZETCQYMHSA-N -1 0 324.259 -0.416 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1COCCN1CC(F)F ZINC000880390853 806923203 /nfs/dbraw/zinc/92/32/03/806923203.db2.gz WNSFORXJNRUWQF-SSDOTTSWSA-N -1 0 306.269 -0.713 20 0 DBADRM C[S@@](=O)C1(CNC(=O)C(=O)[N-]OC2CCOCC2)CCC1 ZINC001323901702 806926453 /nfs/dbraw/zinc/92/64/53/806926453.db2.gz JRIVWPMBAQEYFH-OAQYLSRUSA-N -1 0 318.395 -0.369 20 0 DBADRM Cn1cnc(S(=O)(=O)NN=c2[n-]ncc(N)c2Cl)c1 ZINC001323975088 806933899 /nfs/dbraw/zinc/93/38/99/806933899.db2.gz SDAAIZHUFJYGPQ-UHFFFAOYSA-N -1 0 303.735 -0.249 20 0 DBADRM Cn1c2cc(O)c(NC(=O)c3n[nH]c(=O)[n-]3)cc2n(C)c1=O ZINC001323986711 806935321 /nfs/dbraw/zinc/93/53/21/806935321.db2.gz COEYHRHKYGGLJK-UHFFFAOYSA-N -1 0 304.266 -0.341 20 0 DBADRM O=C([O-])C1(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC001324005169 806936754 /nfs/dbraw/zinc/93/67/54/806936754.db2.gz SXLOWWQMUCAVQG-UHFFFAOYSA-N -1 0 317.323 -0.925 20 0 DBADRM CN(CCO)Cc1cn(CC(=O)[N-]OCc2ccccc2)nn1 ZINC000881052149 806938418 /nfs/dbraw/zinc/93/84/18/806938418.db2.gz CEYFYULYIDGSTK-UHFFFAOYSA-N -1 0 319.365 -0.050 20 0 DBADRM O=C([N-]Cc1cn(C[C@@]2(O)CCCOC2)nn1)C(F)(F)F ZINC000881415172 806942060 /nfs/dbraw/zinc/94/20/60/806942060.db2.gz QVGHFJSMZIWYMG-JTQLQIEISA-N -1 0 308.260 -0.002 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H](O)C(F)(F)F ZINC000881912573 806953907 /nfs/dbraw/zinc/95/39/07/806953907.db2.gz GHZIQFBJDBOWKT-IEMIWKFJSA-N -1 0 313.323 -0.682 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)cnn1C ZINC001324373914 806968466 /nfs/dbraw/zinc/96/84/66/806968466.db2.gz CUAGUHKGEBKQAB-MRVPVSSYSA-N -1 0 300.340 -0.988 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 ZINC001324383037 806969787 /nfs/dbraw/zinc/96/97/87/806969787.db2.gz OARJRSVICAYURV-UHFFFAOYSA-N -1 0 320.349 -0.029 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC001324383467 806969866 /nfs/dbraw/zinc/96/98/66/806969866.db2.gz VTACCSNUQQONNN-UHFFFAOYSA-N -1 0 306.200 -0.428 20 0 DBADRM CCc1ccc(NC(=O)C(=O)[N-]OCC(N)=O)c(C(=O)OC)c1 ZINC001324383378 806970056 /nfs/dbraw/zinc/97/00/56/806970056.db2.gz RYQDHUNWUCIEDK-UHFFFAOYSA-N -1 0 323.305 -0.493 20 0 DBADRM CC[C@H](NS(=O)(=O)N=[S@@](C)(=O)N(C)C)[C@@H](O)C(F)F ZINC000882229868 806971867 /nfs/dbraw/zinc/97/18/67/806971867.db2.gz KKXVESNTVDFAIB-QWKIDOEZSA-N -1 0 323.387 -0.200 20 0 DBADRM CC[C@@H]([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)C(F)F ZINC000882225234 806972195 /nfs/dbraw/zinc/97/21/95/806972195.db2.gz AQVASZSCKOLLQK-SSDOTTSWSA-N -1 0 308.372 -0.159 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC001324707265 807001526 /nfs/dbraw/zinc/00/15/26/807001526.db2.gz SLZKZOSSBKHIPR-UHFFFAOYSA-N -1 0 306.322 -0.766 20 0 DBADRM COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001324740848 807003378 /nfs/dbraw/zinc/00/33/78/807003378.db2.gz GZIQWXCGVIFLIR-MNOVXSKESA-N -1 0 313.354 -0.090 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CC(=O)N(CC2CC2)C1 ZINC000882858141 807003912 /nfs/dbraw/zinc/00/39/12/807003912.db2.gz ABPWTAJLZARESX-APBUJDDRSA-N -1 0 323.440 -0.051 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000882858142 807003966 /nfs/dbraw/zinc/00/39/66/807003966.db2.gz ABPWTAJLZARESX-DGIBIBHMSA-N -1 0 323.440 -0.051 20 0 DBADRM O=C(N[C@H]1CC(=O)N(CC2CC2)C1)c1c[n-]n2c1nccc2=O ZINC000882930001 807006706 /nfs/dbraw/zinc/00/67/06/807006706.db2.gz WMNYWZSDLOPDDC-JTQLQIEISA-N -1 0 315.333 -0.237 20 0 DBADRM CCCN1CCO[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001035467235 814947946 /nfs/dbraw/zinc/94/79/46/814947946.db2.gz NCQKLWVGAHTRPF-JTQLQIEISA-N -1 0 310.354 -0.674 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1cnco1 ZINC001035469490 814949238 /nfs/dbraw/zinc/94/92/38/814949238.db2.gz ZMMDSYKJGCCAGC-MRVPVSSYSA-N -1 0 308.298 -0.871 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1nnc2n1CCN(CC(C)(C)C)C2 ZINC001278104408 803755259 /nfs/dbraw/zinc/75/52/59/803755259.db2.gz TUIJVZJCSJBDJS-UHFFFAOYSA-N -1 0 319.373 -0.663 20 0 DBADRM CC(C)CN1CCc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001278114639 803756490 /nfs/dbraw/zinc/75/64/90/803756490.db2.gz ZMRJWNFZAKHWKE-UHFFFAOYSA-N -1 0 304.358 -0.379 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000036968891 803760282 /nfs/dbraw/zinc/76/02/82/803760282.db2.gz HGKGMNFYAUQCFZ-SECBINFHSA-N -1 0 313.287 -0.483 20 0 DBADRM CCCCN(C(=O)COCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000041063451 803762507 /nfs/dbraw/zinc/76/25/07/803762507.db2.gz QEZMOEVRMIRDCA-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM CCCS(=O)(=O)N1CCC(NC(=O)COCC(=O)[O-])CC1 ZINC000041073209 803762724 /nfs/dbraw/zinc/76/27/24/803762724.db2.gz NMAUPUDQRYKIET-UHFFFAOYSA-N -1 0 322.383 -0.592 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035510458 814962837 /nfs/dbraw/zinc/96/28/37/814962837.db2.gz KDWDMSCUKDQXOQ-OUAUKWLOSA-N -1 0 309.370 -0.127 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)COCC(=O)[O-] ZINC000042289473 803765430 /nfs/dbraw/zinc/76/54/30/803765430.db2.gz BZJOTUYAUVQILI-SECBINFHSA-N -1 0 308.356 -0.982 20 0 DBADRM CCCCN1CCn2c(nnc2C(=O)N=c2nn[n-]n2C)C1 ZINC001278218848 803768476 /nfs/dbraw/zinc/76/84/76/803768476.db2.gz WYKJHRVISMJXNY-UHFFFAOYSA-N -1 0 305.346 -0.909 20 0 DBADRM O=C(N[N-]S(=O)(=O)c1cn[nH]c1)c1ccc2c(c1)OCO2 ZINC000048231784 803773452 /nfs/dbraw/zinc/77/34/52/803773452.db2.gz HMJGAXWQMRTKKI-UHFFFAOYSA-N -1 0 310.291 -0.238 20 0 DBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)c2cccnc2)c1=O ZINC000048532764 803773541 /nfs/dbraw/zinc/77/35/41/803773541.db2.gz GXZBDELFSQOVQK-UHFFFAOYSA-N -1 0 324.318 -0.713 20 0 DBADRM Cc1cccc2nc(C(=O)[N-]NC(=O)C(=O)NC(C)C)cn21 ZINC000052988149 803778497 /nfs/dbraw/zinc/77/84/97/803778497.db2.gz NTNWZZPTHYLMNW-UHFFFAOYSA-N -1 0 303.322 -0.072 20 0 DBADRM CNC(=O)N[N-]S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000057124756 803780559 /nfs/dbraw/zinc/78/05/59/803780559.db2.gz BIPKNBVXHKPGRX-UHFFFAOYSA-N -1 0 316.339 -0.224 20 0 DBADRM CCN1CCO[C@@H](C(=O)N[N-]C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000072844681 803787483 /nfs/dbraw/zinc/78/74/83/803787483.db2.gz FTYRKUDSXVLENG-GFCCVEGCSA-N -1 0 321.381 -0.230 20 0 DBADRM CN(C)CC(=O)N[N-]C(=O)c1csc(-c2cnn(C)c2)n1 ZINC000075653934 803791861 /nfs/dbraw/zinc/79/18/61/803791861.db2.gz WZHGNPOZXLQRIP-UHFFFAOYSA-N -1 0 308.367 -0.134 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000080974388 803796532 /nfs/dbraw/zinc/79/65/32/803796532.db2.gz ZTQDIZDRTGTYGY-NSHDSACASA-N -1 0 316.317 -0.072 20 0 DBADRM C[C@@H](NC(=O)c1cccs1)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000090275514 803800360 /nfs/dbraw/zinc/80/03/60/803800360.db2.gz DATRXOSBTYRWJL-JMCQJSRRSA-N -1 0 300.336 -0.182 20 0 DBADRM C[C@H](NC(=O)c1cccs1)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000090275511 803801032 /nfs/dbraw/zinc/80/10/32/803801032.db2.gz DATRXOSBTYRWJL-MADCSZMMSA-N -1 0 300.336 -0.182 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)cc1C(=O)[O-] ZINC000091666667 803801596 /nfs/dbraw/zinc/80/15/96/803801596.db2.gz HTPQTEWVMBIDEY-SECBINFHSA-N -1 0 317.367 -0.668 20 0 DBADRM NC(=O)Cn1cc(NC(=O)c2n[n-]c3ccccc3c2=O)cn1 ZINC000109950865 803805685 /nfs/dbraw/zinc/80/56/85/803805685.db2.gz JDEJMIOSDPHREH-UHFFFAOYSA-N -1 0 312.289 -0.143 20 0 DBADRM O=C(N[C@@H]1CCS(=O)(=O)C1)c1n[n-]c2ccccc2c1=O ZINC000109942891 803805800 /nfs/dbraw/zinc/80/58/00/803805800.db2.gz HHUZUUDGIPLGGH-MRVPVSSYSA-N -1 0 307.331 -0.160 20 0 DBADRM COc1cccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000124097379 803810500 /nfs/dbraw/zinc/81/05/00/803810500.db2.gz PJLKJUBKSCGYPR-LDYMZIIASA-N -1 0 301.320 -0.096 20 0 DBADRM COc1n[nH]c(NC(=O)CS[C@H]2CCS(=O)(=O)C2)n1 ZINC000126780144 803811494 /nfs/dbraw/zinc/81/14/94/803811494.db2.gz BIELPAZFPLKOLG-LURJTMIESA-N -1 0 306.369 -0.328 20 0 DBADRM Cn1nccc1CCC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000127619126 803812509 /nfs/dbraw/zinc/81/25/09/803812509.db2.gz BRPMYZNOJVKACF-LLVKDONJSA-N -1 0 301.368 -0.022 20 0 DBADRM CC/C(C)=C/C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001278776915 803822007 /nfs/dbraw/zinc/82/20/07/803822007.db2.gz QAAORRHRZMUSRD-OAUONFCTSA-N -1 0 309.370 -0.080 20 0 DBADRM CC(C)N1CCO[C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001035535161 814968862 /nfs/dbraw/zinc/96/88/62/814968862.db2.gz FVQSXRUBRIOGBW-NSHDSACASA-N -1 0 319.365 -0.138 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CNS(=O)(=O)CCCOC ZINC000262072241 803832219 /nfs/dbraw/zinc/83/22/19/803832219.db2.gz CODUCNVDEPMCAD-SNVBAGLBSA-N -1 0 324.399 -0.346 20 0 DBADRM CCOCCOC1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC000288436922 803835255 /nfs/dbraw/zinc/83/52/55/803835255.db2.gz HOWOQEOAXUCSRH-UHFFFAOYSA-N -1 0 302.356 -0.546 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC000315800046 803838915 /nfs/dbraw/zinc/83/89/15/803838915.db2.gz BXTRJDYPUZRNHU-CYBMUJFWSA-N -1 0 303.278 -0.160 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000316932745 803839895 /nfs/dbraw/zinc/83/98/95/803839895.db2.gz WVKRSDGBMWELAN-PSASIEDQSA-N -1 0 301.320 -0.642 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)ccc1F ZINC000316412423 803840122 /nfs/dbraw/zinc/84/01/22/803840122.db2.gz OFFOORBORKEVGU-WRWORJQWSA-N -1 0 319.310 -0.502 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1C(=O)[O-] ZINC000323372854 803840231 /nfs/dbraw/zinc/84/02/31/803840231.db2.gz FUOWUAWBMYREFT-NXEZZACHSA-N -1 0 317.319 -0.569 20 0 DBADRM O=C(CCNC(=O)c1ccco1)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000320709902 803840386 /nfs/dbraw/zinc/84/03/86/803840386.db2.gz UCSXHPKDLHEFKN-JTQLQIEISA-N -1 0 320.305 -0.065 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CC=CCC1 ZINC001278837481 803842128 /nfs/dbraw/zinc/84/21/28/803842128.db2.gz FCUFOOAAMVNEKU-JTQLQIEISA-N -1 0 307.354 -0.471 20 0 DBADRM COC1(C(=O)[O-])CCN(S(=O)(=O)c2ccnn2C)CC1 ZINC000380228369 803851833 /nfs/dbraw/zinc/85/18/33/803851833.db2.gz KXPGFTLGAKSVMI-UHFFFAOYSA-N -1 0 303.340 -0.326 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000386481070 803855793 /nfs/dbraw/zinc/85/57/93/803855793.db2.gz QKWGPPLVIGOXPO-LLVKDONJSA-N -1 0 316.291 -0.195 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC000386571960 803856125 /nfs/dbraw/zinc/85/61/25/803856125.db2.gz QZBXRSIRKOQZMI-JTQLQIEISA-N -1 0 307.228 -0.050 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc2c(c1)OCCCO2 ZINC000386993132 803856576 /nfs/dbraw/zinc/85/65/76/803856576.db2.gz CQEATJWFASBIOY-UHFFFAOYSA-N -1 0 308.290 -0.222 20 0 DBADRM O=C1[N-]OC[C@H]1NS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000393844184 803859823 /nfs/dbraw/zinc/85/98/23/803859823.db2.gz XSYXTQIFCURMNI-SCSAIBSYSA-N -1 0 322.755 -0.243 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCCCS2(=O)=O)CC1 ZINC000395584769 803860725 /nfs/dbraw/zinc/86/07/25/803860725.db2.gz BSYBQXLQUNBVHX-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM COc1ccccc1CC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000396617626 803861094 /nfs/dbraw/zinc/86/10/94/803861094.db2.gz AIRNWQDADJUQQX-UHFFFAOYSA-N -1 0 306.318 -0.007 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2CC[C@H](O)[C@@H](CO)C2)c1 ZINC000396894508 803861815 /nfs/dbraw/zinc/86/18/15/803861815.db2.gz RXYUOVNJBPKZFY-PWSUYJOCSA-N -1 0 315.347 -0.251 20 0 DBADRM C[C@H](NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[C@H]1CCCOC1 ZINC000396732564 803861845 /nfs/dbraw/zinc/86/18/45/803861845.db2.gz RCDSZYWZEDLOBW-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000396899403 803861988 /nfs/dbraw/zinc/86/19/88/803861988.db2.gz VSGGESDUFJHSHI-MWLCHTKSSA-N -1 0 315.347 -0.251 20 0 DBADRM C[C@H](NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[C@@H]1CCCOC1 ZINC000396732565 803862248 /nfs/dbraw/zinc/86/22/48/803862248.db2.gz RCDSZYWZEDLOBW-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000396743033 803862410 /nfs/dbraw/zinc/86/24/10/803862410.db2.gz UIAULAREFCYGLV-UHFFFAOYSA-N -1 0 304.302 -0.010 20 0 DBADRM C[C@@H](NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[C@@H]1CCCOC1 ZINC000396732562 803862571 /nfs/dbraw/zinc/86/25/71/803862571.db2.gz RCDSZYWZEDLOBW-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CNC(=O)C2)ccc1O ZINC000398350020 803862748 /nfs/dbraw/zinc/86/27/48/803862748.db2.gz ISXJCFCKAXCDRY-ZETCQYMHSA-N -1 0 314.319 -0.495 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@H](O)[C@H](CO)C2)cc1 ZINC000396901608 803863700 /nfs/dbraw/zinc/86/37/00/803863700.db2.gz XAJNYNOXVYSFLP-JQWIXIFHSA-N -1 0 315.347 -0.251 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCOC[C@H](O)C2)ccc1O ZINC000399972569 803864397 /nfs/dbraw/zinc/86/43/97/803864397.db2.gz YTHQVTNTNOKIJW-MRVPVSSYSA-N -1 0 317.319 -0.528 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCOC[C@@H](O)C2)cc1 ZINC000399929838 803864600 /nfs/dbraw/zinc/86/46/00/803864600.db2.gz MITKATUMIOWPMR-JTQLQIEISA-N -1 0 301.320 -0.233 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC[C@]2(O)CCOC2)c[nH]1 ZINC000403108207 803865584 /nfs/dbraw/zinc/86/55/84/803865584.db2.gz GIFUHFGUUMBJGB-NSHDSACASA-N -1 0 304.324 -0.467 20 0 DBADRM CN1CC[C@@H](NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1=O ZINC000625750107 803889342 /nfs/dbraw/zinc/88/93/42/803889342.db2.gz UXBAFSOFKXTIIW-SECBINFHSA-N -1 0 312.351 -0.586 20 0 DBADRM C[C@H]1OCC[C@H]1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000650418446 803898503 /nfs/dbraw/zinc/89/85/03/803898503.db2.gz MNTZILXGVQSYCA-VXNVDRBHSA-N -1 0 304.328 -0.927 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-] ZINC000650421284 803898513 /nfs/dbraw/zinc/89/85/13/803898513.db2.gz UISBHHIBJPCGAZ-ZETCQYMHSA-N -1 0 304.328 -0.932 20 0 DBADRM COc1ncc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc1Cl ZINC000650392254 803898713 /nfs/dbraw/zinc/89/87/13/803898713.db2.gz YGSFABHPHSFTPC-QMMMGPOBSA-N -1 0 324.742 -0.143 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000650388652 803898780 /nfs/dbraw/zinc/89/87/80/803898780.db2.gz YFSCGYCDJLXEKL-LURJTMIESA-N -1 0 314.241 -0.176 20 0 DBADRM CCN(CC)S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000650429179 803898795 /nfs/dbraw/zinc/89/87/95/803898795.db2.gz DYGQIPSFIVPYOQ-SECBINFHSA-N -1 0 302.356 -0.352 20 0 DBADRM CCN(CC)S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650429180 803898868 /nfs/dbraw/zinc/89/88/68/803898868.db2.gz DYGQIPSFIVPYOQ-VIFPVBQESA-N -1 0 302.356 -0.352 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnnn2C)[C@H](C(=O)[O-])[C@H](C)O1 ZINC000650423994 803898947 /nfs/dbraw/zinc/89/89/47/803898947.db2.gz LTPAMOUIGAELPU-FJXKBIBVSA-N -1 0 304.328 -0.934 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000650442885 803899517 /nfs/dbraw/zinc/89/95/17/803899517.db2.gz YVEYCUHACJCLRI-DBIOUOCHSA-N -1 0 304.368 -0.063 20 0 DBADRM O=C([O-])c1cn(CCNS(=O)(=O)CC[C@@H]2CCCO2)nn1 ZINC000683299044 803906122 /nfs/dbraw/zinc/90/61/22/803906122.db2.gz BQMKGFBTALCRDA-VIFPVBQESA-N -1 0 318.355 -0.535 20 0 DBADRM CN([C@H]1CCN(C)C1=O)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000690131528 803907373 /nfs/dbraw/zinc/90/73/73/803907373.db2.gz MWWFIMVUEABYIL-VIFPVBQESA-N -1 0 301.324 -0.436 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)NC2CC(C(=O)[O-])C2)C1 ZINC000693444658 803909097 /nfs/dbraw/zinc/90/90/97/803909097.db2.gz XYOFSVFJAZYFQT-IDKOKCKLSA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CCC2)C1 ZINC000702995810 803915445 /nfs/dbraw/zinc/91/54/45/803915445.db2.gz KZYCTMMXUXATOL-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000704795199 803915948 /nfs/dbraw/zinc/91/59/48/803915948.db2.gz IQRWTARIIAGOOI-UHFFFAOYSA-N -1 0 304.324 -0.045 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC000705574098 803917118 /nfs/dbraw/zinc/91/71/18/803917118.db2.gz XTAYILGVSCXUIU-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])C1(C(=O)N2CCS(=O)(=O)CC2)CCSCC1 ZINC000707436962 803917344 /nfs/dbraw/zinc/91/73/44/803917344.db2.gz QJPYFWGZYVYVIW-UHFFFAOYSA-N -1 0 307.393 -0.159 20 0 DBADRM CC(C)(C)OC(=O)NCCOCC(=O)NCc1nnn[n-]1 ZINC000708100587 803917962 /nfs/dbraw/zinc/91/79/62/803917962.db2.gz DQEVIEPVYNDIGF-UHFFFAOYSA-N -1 0 300.319 -0.643 20 0 DBADRM O=C([O-])[C@]12CN(S(=O)(=O)c3c[nH]cn3)C[C@H]1COCC2 ZINC000715884743 803923188 /nfs/dbraw/zinc/92/31/88/803923188.db2.gz UXYMHFFDLWUHOK-GZMMTYOYSA-N -1 0 301.324 -0.479 20 0 DBADRM O=C([O-])[C@]12CN(S(=O)(=O)N3CCCC3)C[C@H]1COCC2 ZINC000715878860 803924040 /nfs/dbraw/zinc/92/40/40/803924040.db2.gz HQFFLRUZLKHVDH-CMPLNLGQSA-N -1 0 304.368 -0.250 20 0 DBADRM CO[C@@]1(CNS(=O)(=O)N(C)CCC(=O)[O-])CCSC1 ZINC000719230162 803925952 /nfs/dbraw/zinc/92/59/52/803925952.db2.gz QIJAQRVYSPTJAK-SNVBAGLBSA-N -1 0 312.413 -0.251 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCc2nnn[n-]2)ccc1N(C)C ZINC000737268236 803933367 /nfs/dbraw/zinc/93/33/67/803933367.db2.gz BJKRZVISZPIPIX-UHFFFAOYSA-N -1 0 303.326 -0.171 20 0 DBADRM CCOCCN1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000737177525 803933424 /nfs/dbraw/zinc/93/34/24/803933424.db2.gz PRMPXZURMPUVBZ-UHFFFAOYSA-N -1 0 308.400 -0.165 20 0 DBADRM CC(C)[C@H]1CN(C)CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000737742156 803935353 /nfs/dbraw/zinc/93/53/53/803935353.db2.gz DZYSWYWAKPIBCH-GFCCVEGCSA-N -1 0 318.381 -0.130 20 0 DBADRM Cc1ccc(C(=O)C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000738251744 803936988 /nfs/dbraw/zinc/93/69/88/803936988.db2.gz UQOXEIHVAWKVSB-UHFFFAOYSA-N -1 0 304.302 -0.067 20 0 DBADRM CC(=O)NCC(=O)NCc1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000738553916 803938586 /nfs/dbraw/zinc/93/85/86/803938586.db2.gz ZOOFBTNMGWVTCR-UHFFFAOYSA-N -1 0 311.298 -0.531 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)CCOC[C@H]2CCCO2)CC1 ZINC000738517853 803938613 /nfs/dbraw/zinc/93/86/13/803938613.db2.gz PHAARYQEWBYTHK-LLVKDONJSA-N -1 0 314.338 -0.673 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)CCCn2ccccc2=O)CC1 ZINC000738516163 803938968 /nfs/dbraw/zinc/93/89/68/803938968.db2.gz BQSWBKOPTNUBIM-UHFFFAOYSA-N -1 0 321.333 -0.616 20 0 DBADRM CC(C)(CCC(=O)NC1CCN(CC(N)=O)CC1)NC(=O)[O-] ZINC000738744950 803939081 /nfs/dbraw/zinc/93/90/81/803939081.db2.gz VLJZWLFUBWBTBU-UHFFFAOYSA-N -1 0 314.386 -0.121 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC000739196286 803939843 /nfs/dbraw/zinc/93/98/43/803939843.db2.gz RLDUINGOCLZIBT-UHFFFAOYSA-N -1 0 312.351 -0.270 20 0 DBADRM C[C@H]1CN(C(=S)NCC(=O)N(C)C)CC[C@@H]1NC(=O)[O-] ZINC000739171046 803939856 /nfs/dbraw/zinc/93/98/56/803939856.db2.gz GIJVRKSWAIKSBL-IUCAKERBSA-N -1 0 302.400 -0.073 20 0 DBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)CCNC(=O)[O-] ZINC000739152434 803940309 /nfs/dbraw/zinc/94/03/09/803940309.db2.gz HUYBAESEERAKMN-MRVPVSSYSA-N -1 0 301.299 -0.946 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000739313755 803940958 /nfs/dbraw/zinc/94/09/58/803940958.db2.gz STMUFRCHIXNVOJ-MQJDWESPSA-N -1 0 319.427 -0.055 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000739313763 803941125 /nfs/dbraw/zinc/94/11/25/803941125.db2.gz STMUFRCHIXNVOJ-WSVYEEACSA-N -1 0 319.427 -0.055 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)c1ccccc1 ZINC000739266642 803941502 /nfs/dbraw/zinc/94/15/02/803941502.db2.gz DMSIXTSIMXMCCL-GFCCVEGCSA-N -1 0 317.301 -0.131 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@@H](O)c1ccsc1 ZINC000740113793 803944458 /nfs/dbraw/zinc/94/44/58/803944458.db2.gz HWSXJCPOHDXQAB-SNVBAGLBSA-N -1 0 319.346 -0.018 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC1(O)CCCCC1 ZINC000740724372 803946764 /nfs/dbraw/zinc/94/67/64/803946764.db2.gz CQNGFAIFNAASAU-UHFFFAOYSA-N -1 0 305.338 -0.117 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccnc(-n2cccn2)c1 ZINC000740560266 803947247 /nfs/dbraw/zinc/94/72/47/803947247.db2.gz JDRVTNWPKCHAOZ-UHFFFAOYSA-N -1 0 310.335 -0.027 20 0 DBADRM CS(=O)(=O)CCn1ccc([N-]S(=O)(=O)c2cn[nH]c2)n1 ZINC000741201680 803951713 /nfs/dbraw/zinc/95/17/13/803951713.db2.gz PPESZUVOWCPCBG-UHFFFAOYSA-N -1 0 319.368 -0.548 20 0 DBADRM CCOC(=O)[C@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)CCO1 ZINC000741253181 803953784 /nfs/dbraw/zinc/95/37/84/803953784.db2.gz ZRIBJSVKGKUQPS-LLVKDONJSA-N -1 0 306.322 -0.214 20 0 DBADRM Cc1ccc([C@@H](O)CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)o1 ZINC000741303377 803957169 /nfs/dbraw/zinc/95/71/69/803957169.db2.gz VDHUOJDHUXAFKJ-JTQLQIEISA-N -1 0 317.305 -0.178 20 0 DBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)C(C)C ZINC000741442762 803959234 /nfs/dbraw/zinc/95/92/34/803959234.db2.gz NZKGPZVTQCJJQL-KOLCDFICSA-N -1 0 322.383 -0.992 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)C1CC=CC1 ZINC001280513173 803968132 /nfs/dbraw/zinc/96/81/32/803968132.db2.gz BEDWBGUQQTZJJC-SECBINFHSA-N -1 0 323.353 -0.381 20 0 DBADRM CCC(CC)(NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)OC ZINC000742833328 803976297 /nfs/dbraw/zinc/97/62/97/803976297.db2.gz LDMZWHZELQATIT-UHFFFAOYSA-N -1 0 321.337 -0.081 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000742801199 803976690 /nfs/dbraw/zinc/97/66/90/803976690.db2.gz PTNWDRZXESCDPO-SECBINFHSA-N -1 0 321.337 -0.225 20 0 DBADRM C[C@](O)(CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccco1 ZINC000743653784 803984398 /nfs/dbraw/zinc/98/43/98/803984398.db2.gz IRVNLPXZARQMCJ-AWEZNQCLSA-N -1 0 317.305 -0.312 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)cc1 ZINC000744002431 803985087 /nfs/dbraw/zinc/98/50/87/803985087.db2.gz CFAHVWDRKXOPMG-UHFFFAOYSA-N -1 0 323.334 -0.809 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C2=COCC2)CC1 ZINC000744059350 803986719 /nfs/dbraw/zinc/98/67/19/803986719.db2.gz YVDVQUPRAPDKPY-UHFFFAOYSA-N -1 0 318.351 -0.463 20 0 DBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1 ZINC000744137441 803987356 /nfs/dbraw/zinc/98/73/56/803987356.db2.gz QAVLOQKKBDTNNN-NSHDSACASA-N -1 0 312.347 -0.105 20 0 DBADRM COc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1COCCO1 ZINC000744210535 803987641 /nfs/dbraw/zinc/98/76/41/803987641.db2.gz XZCTVTVXCHBOFI-JTQLQIEISA-N -1 0 301.320 -0.085 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)CSc1nnnn1C1CC1 ZINC000744241025 803988605 /nfs/dbraw/zinc/98/86/05/803988605.db2.gz ZHBXVYIHMVTYGT-UHFFFAOYSA-N -1 0 320.400 -0.587 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C1CCCC1 ZINC000744238286 803988786 /nfs/dbraw/zinc/98/87/86/803988786.db2.gz GZLOWLDWFNWTKT-VIFPVBQESA-N -1 0 305.400 -0.006 20 0 DBADRM O=CNc1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1 ZINC000746237963 804012179 /nfs/dbraw/zinc/01/21/79/804012179.db2.gz VDYRIFCHBCNERW-LLVKDONJSA-N -1 0 302.294 -0.018 20 0 DBADRM CS(=O)(=O)CCNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000746335922 804014884 /nfs/dbraw/zinc/01/48/84/804014884.db2.gz WKLPQURVWULWMJ-UHFFFAOYSA-N -1 0 301.320 -0.076 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000746355758 804015404 /nfs/dbraw/zinc/01/54/04/804015404.db2.gz FQRSKJMKBHTGJB-VIFPVBQESA-N -1 0 314.363 -0.019 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC000747120239 804024190 /nfs/dbraw/zinc/02/41/90/804024190.db2.gz MPKBLGRHGZINSQ-LBPRGKRZSA-N -1 0 306.384 -0.273 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)[N-]S(=O)(=O)CCCF ZINC000747129991 804024367 /nfs/dbraw/zinc/02/43/67/804024367.db2.gz DJNCPXRBBSNRHZ-UHFFFAOYSA-N -1 0 308.331 -0.279 20 0 DBADRM NC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)CCCF)cc1 ZINC000747135227 804024494 /nfs/dbraw/zinc/02/44/94/804024494.db2.gz KMYKKSRRMLSLFX-UHFFFAOYSA-N -1 0 318.326 -0.030 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000747125905 804024507 /nfs/dbraw/zinc/02/45/07/804024507.db2.gz FYJRRMNPZKAWDX-UHFFFAOYSA-N -1 0 312.413 -0.486 20 0 DBADRM O=C([N-]S(=O)(=O)Cc1ccon1)c1cnn2cccnc12 ZINC000747183445 804025701 /nfs/dbraw/zinc/02/57/01/804025701.db2.gz FHHVMWDPONCIBD-UHFFFAOYSA-N -1 0 307.291 -0.023 20 0 DBADRM CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cn1 ZINC000747756621 804031250 /nfs/dbraw/zinc/03/12/50/804031250.db2.gz BMNADQGQQHEMRG-UHFFFAOYSA-N -1 0 316.383 -0.055 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000748298538 804038105 /nfs/dbraw/zinc/03/81/05/804038105.db2.gz XBHMSGJVJMNFKB-TZMCWYRMSA-N -1 0 315.329 -0.299 20 0 DBADRM CC(=O)N1C[C@@H](C(=O)NCc2n[nH]c(=O)[n-]2)Oc2ccccc21 ZINC000748416943 804038242 /nfs/dbraw/zinc/03/82/42/804038242.db2.gz AVNQGPYHIIYITG-NSHDSACASA-N -1 0 317.305 -0.059 20 0 DBADRM CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)[N-]OCCOC ZINC000748766277 804043097 /nfs/dbraw/zinc/04/30/97/804043097.db2.gz CVUMYBURTLNBQG-LBPRGKRZSA-N -1 0 320.353 -0.031 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cnc(OC)nc2)cn1 ZINC000749228268 804047763 /nfs/dbraw/zinc/04/77/63/804047763.db2.gz SFXNRHKJHYMVRH-UHFFFAOYSA-N -1 0 311.323 -0.180 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCOCCOC)cn1 ZINC000749222836 804048030 /nfs/dbraw/zinc/04/80/30/804048030.db2.gz UYAHVGHFILNSMG-UHFFFAOYSA-N -1 0 305.356 -0.239 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)[N-]O[C@H]1CCCCO1)c2=O ZINC000749399593 804049993 /nfs/dbraw/zinc/04/99/93/804049993.db2.gz MEFVLIREEVOBMF-NSHDSACASA-N -1 0 307.310 -0.296 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C[C@H](C)OC)CC1 ZINC000750400045 804060738 /nfs/dbraw/zinc/06/07/38/804060738.db2.gz UITIYMHXFDZIHU-VIFPVBQESA-N -1 0 322.383 -0.343 20 0 DBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1C1CC1 ZINC000750730296 804064729 /nfs/dbraw/zinc/06/47/29/804064729.db2.gz PAFPJPAKLQYFJU-UHFFFAOYSA-N -1 0 314.367 -0.396 20 0 DBADRM COc1ccc([C@@H](O)CNC(=O)c2cnc([O-])n(C)c2=O)cc1 ZINC000751533447 804076221 /nfs/dbraw/zinc/07/62/21/804076221.db2.gz NYOGSTYUDSHQJK-LBPRGKRZSA-N -1 0 319.317 -0.042 20 0 DBADRM CCOCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000751822398 804081126 /nfs/dbraw/zinc/08/11/26/804081126.db2.gz CEODUUYHWZUASV-UHFFFAOYSA-N -1 0 303.340 -0.645 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000753949823 804113538 /nfs/dbraw/zinc/11/35/38/804113538.db2.gz HUUGCICBJFZEPN-VHSXEESVSA-N -1 0 300.311 -0.140 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)cc1 ZINC000753945873 804114223 /nfs/dbraw/zinc/11/42/23/804114223.db2.gz WLPHEJHAIRLKBI-UHFFFAOYSA-N -1 0 308.319 -0.583 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(Br)o1 ZINC000753949812 804114388 /nfs/dbraw/zinc/11/43/88/804114388.db2.gz HKKZIMVQSADMMC-UHFFFAOYSA-N -1 0 311.113 -0.413 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)C1CCCC1 ZINC000754744410 804126874 /nfs/dbraw/zinc/12/68/74/804126874.db2.gz CBLYGYUSELNYQM-UHFFFAOYSA-N -1 0 302.352 -0.086 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)[N-]S(=O)(=O)C1CCCC1 ZINC000754745544 804126916 /nfs/dbraw/zinc/12/69/16/804126916.db2.gz IUEPJYVZWJHDIJ-UHFFFAOYSA-N -1 0 317.367 -0.293 20 0 DBADRM C/C=C(\C)C(=O)N(C)C[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001281248914 804132924 /nfs/dbraw/zinc/13/29/24/804132924.db2.gz UKIFJFFTTGMBLF-VHODGJRUSA-N -1 0 310.354 -0.061 20 0 DBADRM CN(CCOCC1CC1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000755624709 804139280 /nfs/dbraw/zinc/13/92/80/804139280.db2.gz TXEZLUXKGLEGGE-UHFFFAOYSA-N -1 0 305.338 -0.044 20 0 DBADRM Cn1cc(NC(=O)c2cc(=O)[nH][n-]2)cc(Br)c1=O ZINC000755874144 804141393 /nfs/dbraw/zinc/14/13/93/804141393.db2.gz YVOMLQXUIUDOGT-UHFFFAOYSA-N -1 0 313.111 -0.038 20 0 DBADRM O=C(CCc1ccncn1)[N-]S(=O)(=O)N1CCOCC1 ZINC000755805596 804141410 /nfs/dbraw/zinc/14/14/10/804141410.db2.gz VAOMRPYJEMCWBH-UHFFFAOYSA-N -1 0 300.340 -0.898 20 0 DBADRM CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000756295455 804149544 /nfs/dbraw/zinc/14/95/44/804149544.db2.gz RMUSLVMHPJVFOT-UHFFFAOYSA-N -1 0 321.399 -0.672 20 0 DBADRM NC(=O)CONC(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000756813593 804156325 /nfs/dbraw/zinc/15/63/25/804156325.db2.gz BUGKBLCFMZRJOZ-SECBINFHSA-N -1 0 320.305 -0.570 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCCn1cccn1 ZINC000757320696 804161327 /nfs/dbraw/zinc/16/13/27/804161327.db2.gz SEZVRJFUJPFARK-UHFFFAOYSA-N -1 0 304.372 -0.398 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(COC)o1 ZINC000757331626 804162338 /nfs/dbraw/zinc/16/23/38/804162338.db2.gz NDYWKALJWIMYKS-UHFFFAOYSA-N -1 0 306.340 -0.021 20 0 DBADRM COCC[C@H]1CN(S(=O)(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CCO1 ZINC001465116955 804168759 /nfs/dbraw/zinc/16/87/59/804168759.db2.gz VVHQYWOBHCVHPK-GARJFASQSA-N -1 0 307.368 -0.083 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CC[C@@]2(C1)COCCO2 ZINC001465117096 804169967 /nfs/dbraw/zinc/16/99/67/804169967.db2.gz WGYOAGRWTLFVDL-JFGNBEQYSA-N -1 0 305.352 -0.329 20 0 DBADRM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(=O)[nH][n-]1 ZINC000757915712 804170584 /nfs/dbraw/zinc/17/05/84/804170584.db2.gz BOBQEEHOVSXZFG-GFCCVEGCSA-N -1 0 302.334 -0.322 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758581754 804190176 /nfs/dbraw/zinc/19/01/76/804190176.db2.gz WRGHMMDRGPLWCH-UHFFFAOYSA-N -1 0 309.307 -0.967 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758578747 804190186 /nfs/dbraw/zinc/19/01/86/804190186.db2.gz RKOJOLUCNKTAQQ-MRVPVSSYSA-N -1 0 314.367 -0.168 20 0 DBADRM Cn1ncc2cc(C(=O)[N-]S(=O)(=O)c3cnccn3)cnc21 ZINC000758576961 804190257 /nfs/dbraw/zinc/19/02/57/804190257.db2.gz KDTUDYQXAHAMBR-UHFFFAOYSA-N -1 0 318.318 -0.123 20 0 DBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758581119 804191123 /nfs/dbraw/zinc/19/11/23/804191123.db2.gz ZLTYJIBXGXWQLA-UHFFFAOYSA-N -1 0 319.364 -0.422 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)C(N)=O ZINC000758743468 804193476 /nfs/dbraw/zinc/19/34/76/804193476.db2.gz FHAULKSLLJGPDZ-SSDOTTSWSA-N -1 0 306.347 -0.325 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000759169394 804200551 /nfs/dbraw/zinc/20/05/51/804200551.db2.gz WZDXEHOIRVAHPG-UHFFFAOYSA-N -1 0 314.363 -0.095 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)[N-]OCC(F)F ZINC000759340304 804201998 /nfs/dbraw/zinc/20/19/98/804201998.db2.gz UCDVIUJBSYWJLG-UHFFFAOYSA-N -1 0 304.315 -0.356 20 0 DBADRM CO[C@@H](C)CC(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759521022 804204375 /nfs/dbraw/zinc/20/43/75/804204375.db2.gz QIOSCXTVGMAPEP-YFKPBYRVSA-N -1 0 322.368 -0.274 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(C)=O)cn1 ZINC000759828019 804209869 /nfs/dbraw/zinc/20/98/69/804209869.db2.gz HJQSVSDTKXFZHG-SSDOTTSWSA-N -1 0 301.324 -0.580 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(=O)n(C)c2)cn1 ZINC000759831725 804210464 /nfs/dbraw/zinc/21/04/64/804210464.db2.gz LFUPGNLILKHCPN-UHFFFAOYSA-N -1 0 323.330 -0.092 20 0 DBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(OC)nc2)CC1 ZINC000759809820 804210557 /nfs/dbraw/zinc/21/05/57/804210557.db2.gz KOUOBOJVILZDFK-UHFFFAOYSA-N -1 0 314.319 -0.152 20 0 DBADRM COC(=O)c1coc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1 ZINC000759843914 804211844 /nfs/dbraw/zinc/21/18/44/804211844.db2.gz KFHBIRAWJSTCOQ-SECBINFHSA-N -1 0 307.266 -0.207 20 0 DBADRM O=C(NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1CC=CC1 ZINC001281799918 804218279 /nfs/dbraw/zinc/21/82/79/804218279.db2.gz QZSAPKODHKZDHG-UHFFFAOYSA-N -1 0 321.381 -0.080 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 ZINC000760243634 804223310 /nfs/dbraw/zinc/22/33/10/804223310.db2.gz VNLIJJSFPORKDT-UHFFFAOYSA-N -1 0 316.301 -0.300 20 0 DBADRM CCOC(=O)[C@@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760485149 804224571 /nfs/dbraw/zinc/22/45/71/804224571.db2.gz LFYSXRNLOGEJTN-ZCFIWIBFSA-N -1 0 314.260 -0.516 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnn2)cc1 ZINC000760988839 804230905 /nfs/dbraw/zinc/23/09/05/804230905.db2.gz ZNRKQGKHQQAEPX-UHFFFAOYSA-N -1 0 310.335 -0.027 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc2nccnc2c1 ZINC000761107557 804232957 /nfs/dbraw/zinc/23/29/57/804232957.db2.gz BDOJVVMFFSWYRS-UHFFFAOYSA-N -1 0 322.346 -0.063 20 0 DBADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(N)=O ZINC000761242161 804237917 /nfs/dbraw/zinc/23/79/17/804237917.db2.gz HTQVSPZWDDPRIX-ZETCQYMHSA-N -1 0 316.335 -0.526 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H]1CCCCS1(=O)=O ZINC000761597856 804239687 /nfs/dbraw/zinc/23/96/87/804239687.db2.gz VIYHZJZNNCOMLE-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM O=C(CSCC(F)(F)F)[N-]S(=O)(=O)N1CCOCC1 ZINC000762064588 804243839 /nfs/dbraw/zinc/24/38/39/804243839.db2.gz MYZFHTSBFFEUPZ-UHFFFAOYSA-N -1 0 322.330 -0.025 20 0 DBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762130377 804244323 /nfs/dbraw/zinc/24/43/23/804244323.db2.gz GRTQLSJNRGBXMT-GHMZBOCLSA-N -1 0 309.384 -0.090 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)s1 ZINC000762132359 804244356 /nfs/dbraw/zinc/24/43/56/804244356.db2.gz MAIIKKTWEKFOMN-ZETCQYMHSA-N -1 0 318.376 -0.057 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1cnn2cccnc12 ZINC000762142550 804245781 /nfs/dbraw/zinc/24/57/81/804245781.db2.gz GWULPJGSHGGJOP-SECBINFHSA-N -1 0 310.335 -0.175 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)COCC(F)(F)F ZINC000763445632 804267445 /nfs/dbraw/zinc/26/74/45/804267445.db2.gz MXBPZRBLUVPJCW-UHFFFAOYSA-N -1 0 306.262 -0.853 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCOC[C@H]1CCCO1 ZINC000763444708 804267637 /nfs/dbraw/zinc/26/76/37/804267637.db2.gz JKTGXWBSELVBNJ-SNVBAGLBSA-N -1 0 322.383 -0.846 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CC1(O)CCCCC1 ZINC000763449074 804267913 /nfs/dbraw/zinc/26/79/13/804267913.db2.gz FAMJSJMCLNMWCV-UHFFFAOYSA-N -1 0 306.384 -0.346 20 0 DBADRM Cc1ccn2cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nc2c1 ZINC000763448870 804267966 /nfs/dbraw/zinc/26/79/66/804267966.db2.gz DYVVCAYKFXGKHF-UHFFFAOYSA-N -1 0 324.362 -0.162 20 0 DBADRM COC(=O)CC(C)(C)CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763455191 804268712 /nfs/dbraw/zinc/26/87/12/804268712.db2.gz JSUHVDBXZJAMAB-UHFFFAOYSA-N -1 0 322.383 -0.452 20 0 DBADRM Cc1cc(C)n([C@H](C)C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC000763458354 804269023 /nfs/dbraw/zinc/26/90/23/804269023.db2.gz PCVZUYKKQUEXMJ-SNVBAGLBSA-N -1 0 316.383 -0.357 20 0 DBADRM Cc1cn2ccnc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)c2n1 ZINC000763979362 804276498 /nfs/dbraw/zinc/27/64/98/804276498.db2.gz POTUDJGVEKSQDA-SECBINFHSA-N -1 0 310.335 -0.114 20 0 DBADRM NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)Nc2nnn[n-]2)c1 ZINC000763901204 804276992 /nfs/dbraw/zinc/27/69/92/804276992.db2.gz GKESIARJULKNLD-UHFFFAOYSA-N -1 0 320.693 -0.108 20 0 DBADRM Cc1cn2ccnc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)c2n1 ZINC000763979365 804277955 /nfs/dbraw/zinc/27/79/55/804277955.db2.gz POTUDJGVEKSQDA-VIFPVBQESA-N -1 0 310.335 -0.114 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC000764152186 804279283 /nfs/dbraw/zinc/27/92/83/804279283.db2.gz PYQXXPIMXMQDFL-SNVBAGLBSA-N -1 0 302.352 -0.281 20 0 DBADRM Cc1cn2ccnc(C(=O)[N-]S(=O)(=O)c3cnnn3C)c2n1 ZINC000764076257 804279474 /nfs/dbraw/zinc/27/94/74/804279474.db2.gz JVCUVPLRRYWKRW-UHFFFAOYSA-N -1 0 321.322 -0.715 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000764194417 804280286 /nfs/dbraw/zinc/28/02/86/804280286.db2.gz XUURVDAPJPBOAU-KXUCPTDWSA-N -1 0 306.384 -0.241 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000764184354 804280325 /nfs/dbraw/zinc/28/03/25/804280325.db2.gz ZLMRDZDUMXSYPY-IUCAKERBSA-N -1 0 304.368 -0.522 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cs1 ZINC000764193124 804280492 /nfs/dbraw/zinc/28/04/92/804280492.db2.gz FWQMCAAKJKKYIQ-ZCFIWIBFSA-N -1 0 306.365 -0.059 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C ZINC000764205832 804280554 /nfs/dbraw/zinc/28/05/54/804280554.db2.gz FEEGODUWDSRAOW-HTQZYQBOSA-N -1 0 322.412 -0.223 20 0 DBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)cn1 ZINC000764209021 804280653 /nfs/dbraw/zinc/28/06/53/804280653.db2.gz PODXMWIVAXZHEQ-MRVPVSSYSA-N -1 0 315.351 -0.464 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000764215168 804280679 /nfs/dbraw/zinc/28/06/79/804280679.db2.gz DVHYBDYWYZGWFD-VIFPVBQESA-N -1 0 320.367 -0.604 20 0 DBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)cn1 ZINC000764209910 804280731 /nfs/dbraw/zinc/28/07/31/804280731.db2.gz PIQIZOORVKDTLW-ZETCQYMHSA-N -1 0 317.323 -0.642 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)CCC(C)(C)OC ZINC000764286240 804282012 /nfs/dbraw/zinc/28/20/12/804282012.db2.gz AQJRDKSDNAZCDS-LLVKDONJSA-N -1 0 322.427 -0.032 20 0 DBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)c1nnn(C)c1C ZINC000764307992 804282061 /nfs/dbraw/zinc/28/20/61/804282061.db2.gz UYDDCMGOLWRNHB-UHFFFAOYSA-N -1 0 304.372 -0.002 20 0 DBADRM COc1cc(N2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)ncn1 ZINC000764480111 804284692 /nfs/dbraw/zinc/28/46/92/804284692.db2.gz CPFYQDIKRVXLPT-UHFFFAOYSA-N -1 0 304.310 -0.990 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(F)cc1 ZINC000764777298 804289559 /nfs/dbraw/zinc/28/95/59/804289559.db2.gz GRJNFRNYOKDRSW-UHFFFAOYSA-N -1 0 317.342 -0.132 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@]12CCOC2 ZINC000764784702 804289594 /nfs/dbraw/zinc/28/95/94/804289594.db2.gz PSAHVXNFROTLKV-JQWIXIFHSA-N -1 0 307.368 -0.478 20 0 DBADRM O=C(c1cnn2ncccc12)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000765318379 804296604 /nfs/dbraw/zinc/29/66/04/804296604.db2.gz MBWVDOPYZUJAAI-SNVBAGLBSA-N -1 0 300.282 -0.544 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)COC[C@H]1CCCO1 ZINC000765649875 804304799 /nfs/dbraw/zinc/30/47/99/804304799.db2.gz BYKXDGGGEVFOAL-SECBINFHSA-N -1 0 303.340 -0.579 20 0 DBADRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765657951 804305599 /nfs/dbraw/zinc/30/55/99/804305599.db2.gz OIIXZCKPWCUOFZ-UHFFFAOYSA-N -1 0 316.383 -0.079 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCS(C)(=O)=O ZINC000766001224 804309445 /nfs/dbraw/zinc/30/94/45/804309445.db2.gz QRXCTYNAOBPVKV-ZETCQYMHSA-N -1 0 318.317 -0.150 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000765987557 804309860 /nfs/dbraw/zinc/30/98/60/804309860.db2.gz ZVEVGVLQPIFBNM-BQBZGAKWSA-N -1 0 314.260 -0.660 20 0 DBADRM COC[C@@H](O)C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000766150762 804312701 /nfs/dbraw/zinc/31/27/01/804312701.db2.gz XNKWXVMTUGLQTK-SECBINFHSA-N -1 0 314.319 -0.441 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cccn2c(=O)[nH]nc12 ZINC000766273577 804314893 /nfs/dbraw/zinc/31/48/93/804314893.db2.gz BFKNCFOXTZCPSA-UHFFFAOYSA-N -1 0 313.339 -0.250 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccn2c(=O)[nH]nc12 ZINC000766281972 804314920 /nfs/dbraw/zinc/31/49/20/804314920.db2.gz SJYYVUDVLZVLHR-SSDOTTSWSA-N -1 0 314.323 -0.471 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)c1ccsc1)S(C)(=O)=O ZINC000766451901 804315482 /nfs/dbraw/zinc/31/54/82/804315482.db2.gz OEBHFEMIEVNUTC-UHFFFAOYSA-N -1 0 312.394 -0.556 20 0 DBADRM CN1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C(C)(C)C1 ZINC000766618381 804317640 /nfs/dbraw/zinc/31/76/40/804317640.db2.gz UDOUTGAVXWNLLN-UHFFFAOYSA-N -1 0 304.354 -0.376 20 0 DBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000766838727 804320712 /nfs/dbraw/zinc/32/07/12/804320712.db2.gz RYUQITZNLZYASH-UHFFFAOYSA-N -1 0 315.351 -0.205 20 0 DBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)CC(N)=O)c(C)c1Cl ZINC000766920332 804321309 /nfs/dbraw/zinc/32/13/09/804321309.db2.gz APVXWWFFNAHWOL-UHFFFAOYSA-N -1 0 308.747 -0.915 20 0 DBADRM Cc1nc2ccccc2n1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766921395 804321732 /nfs/dbraw/zinc/32/17/32/804321732.db2.gz JICHSYMYMMURKQ-UHFFFAOYSA-N -1 0 310.335 -0.724 20 0 DBADRM CC(C)Oc1cncc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766915363 804321955 /nfs/dbraw/zinc/32/19/55/804321955.db2.gz HIQSLFMBKIPBNG-UHFFFAOYSA-N -1 0 301.324 -0.586 20 0 DBADRM Cc1cccc(C)c1OCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766921793 804322383 /nfs/dbraw/zinc/32/23/83/804322383.db2.gz CQYTYRVMLAEMEQ-UHFFFAOYSA-N -1 0 300.336 -0.386 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C1(c2cccc(F)c2)CC1 ZINC000766923206 804322894 /nfs/dbraw/zinc/32/28/94/804322894.db2.gz ISPKLTVMYLEETR-UHFFFAOYSA-N -1 0 300.311 -0.211 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)CC(N)=O)cnn1C(C)(C)C ZINC000766923814 804322954 /nfs/dbraw/zinc/32/29/54/804322954.db2.gz RYAQDQFFIQTXAZ-UHFFFAOYSA-N -1 0 302.356 -0.509 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000766924889 804323489 /nfs/dbraw/zinc/32/34/89/804323489.db2.gz PNZDGACBRDALEA-RNFRBKRXSA-N -1 0 318.301 0.000 20 0 DBADRM Cc1cccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766929641 804323888 /nfs/dbraw/zinc/32/38/88/804323888.db2.gz PHBSSYDYOWEINQ-VIFPVBQESA-N -1 0 300.336 -0.306 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000766929815 804324202 /nfs/dbraw/zinc/32/42/02/804324202.db2.gz SMAICNCLDOSURD-UHFFFAOYSA-N -1 0 313.310 -0.219 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C ZINC000766974630 804325318 /nfs/dbraw/zinc/32/53/18/804325318.db2.gz NGSSLKISICPSNP-UHFFFAOYSA-N -1 0 317.367 -0.390 20 0 DBADRM COCc1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cc1 ZINC000767843941 804335368 /nfs/dbraw/zinc/33/53/68/804335368.db2.gz OKOQJWQBBJXISY-UHFFFAOYSA-N -1 0 313.335 -0.080 20 0 DBADRM CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1nnn[n-]1 ZINC000767916710 804335636 /nfs/dbraw/zinc/33/56/36/804335636.db2.gz NHNZTMXDZYGYJV-QMMMGPOBSA-N -1 0 314.346 -0.254 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)CC[C@H]1CCOC1 ZINC000768213441 804338039 /nfs/dbraw/zinc/33/80/39/804338039.db2.gz RWOXOCWTFWFWEH-NSHDSACASA-N -1 0 309.384 -0.088 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cccc(OC)n1 ZINC000768228437 804338981 /nfs/dbraw/zinc/33/89/81/804338981.db2.gz MAGUMMIILPZRSH-UHFFFAOYSA-N -1 0 318.351 -0.187 20 0 DBADRM O=C(c1cn[nH]c1)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001035658368 815010564 /nfs/dbraw/zinc/01/05/64/815010564.db2.gz NTIWFDATSZFFFW-UHFFFAOYSA-N -1 0 317.353 -0.028 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccccc1 ZINC000768779084 804341952 /nfs/dbraw/zinc/34/19/52/804341952.db2.gz HHLAEZONCWXJNA-UHFFFAOYSA-N -1 0 300.336 -0.491 20 0 DBADRM O=C(CNC(=O)c1ccccc1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000768781907 804342320 /nfs/dbraw/zinc/34/23/20/804342320.db2.gz IVPLJSBFLPUTIR-NSHDSACASA-N -1 0 312.347 -0.349 20 0 DBADRM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000768846278 804343535 /nfs/dbraw/zinc/34/35/35/804343535.db2.gz PYALJQSKFPTKPG-VHSXEESVSA-N -1 0 304.354 -0.378 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCSC[C@H]1CCO ZINC000769017544 804345352 /nfs/dbraw/zinc/34/53/52/804345352.db2.gz OSISYQOUFVPSOI-SECBINFHSA-N -1 0 323.378 -0.602 20 0 DBADRM CC/C=C(/C)C(=O)NCCNC(=O)c1cnc([O-])n(C)c1=O ZINC001282933047 804345435 /nfs/dbraw/zinc/34/54/35/804345435.db2.gz MAGOZWBZHXQXJR-UITAMQMPSA-N -1 0 308.338 -0.312 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCC(=O)[C@@H]1CCCOC1 ZINC000769103315 804346814 /nfs/dbraw/zinc/34/68/14/804346814.db2.gz SVKJFHOTEPLWBI-SECBINFHSA-N -1 0 320.305 -0.390 20 0 DBADRM CS[C@H](CO)[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000769340387 804348338 /nfs/dbraw/zinc/34/83/38/804348338.db2.gz JCKKICVNUSJGPC-IONNQARKSA-N -1 0 311.367 -0.700 20 0 DBADRM CS[C@@H](CO)[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000769340385 804348430 /nfs/dbraw/zinc/34/84/30/804348430.db2.gz JCKKICVNUSJGPC-CBAPKCEASA-N -1 0 311.367 -0.700 20 0 DBADRM CC(=O)N1C[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])Oc2ccccc21 ZINC000769744756 804352074 /nfs/dbraw/zinc/35/20/74/804352074.db2.gz QEGNIXGBGINMMW-SWLSCSKDSA-N -1 0 322.317 -0.248 20 0 DBADRM CN(C)c1ncnc2c1cc(C(=O)NC[C@](C)(O)C(=O)[O-])n2C ZINC000769746073 804352716 /nfs/dbraw/zinc/35/27/16/804352716.db2.gz BTUNEJWLQHIQLN-AWEZNQCLSA-N -1 0 321.337 -0.400 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)nc1Cl ZINC000769828134 804354298 /nfs/dbraw/zinc/35/42/98/804354298.db2.gz DOHBTOBKSMXYMZ-UHFFFAOYSA-N -1 0 318.746 -0.444 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000770129032 804358296 /nfs/dbraw/zinc/35/82/96/804358296.db2.gz KROXBLXPWAFESZ-SSDOTTSWSA-N -1 0 314.323 -0.471 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000770131290 804358534 /nfs/dbraw/zinc/35/85/34/804358534.db2.gz IVFPIKQATITYLP-UHFFFAOYSA-N -1 0 314.323 -0.469 20 0 DBADRM CCOc1cccnc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000770142321 804358906 /nfs/dbraw/zinc/35/89/06/804358906.db2.gz XKVWDTNVECWAAO-UHFFFAOYSA-N -1 0 315.351 -0.213 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)nc1C ZINC000770199413 804359926 /nfs/dbraw/zinc/35/99/26/804359926.db2.gz WTGZXZAQQMHEJO-SECBINFHSA-N -1 0 314.367 -0.457 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(C)=O)nc1C ZINC000770201859 804359975 /nfs/dbraw/zinc/35/99/75/804359975.db2.gz SOWWVQMDGCPIFH-SSDOTTSWSA-N -1 0 302.356 -0.459 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2nnn(C)c2C)nc1C ZINC000770209109 804360058 /nfs/dbraw/zinc/36/00/58/804360058.db2.gz UUGZGMNETKDJFN-UHFFFAOYSA-N -1 0 312.355 -0.233 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2cccn(C)c2=O)c1[O-] ZINC001282974062 804364245 /nfs/dbraw/zinc/36/42/45/804364245.db2.gz KLJXCDVWQCCAPL-UHFFFAOYSA-N -1 0 319.321 -0.718 20 0 DBADRM COCCCNC(=O)[C@H](C)OC(=O)c1cc(=O)[n-]c(OC)n1 ZINC000770523925 804364778 /nfs/dbraw/zinc/36/47/78/804364778.db2.gz WHPWHXLYSJVFHI-QMMMGPOBSA-N -1 0 313.310 -0.111 20 0 DBADRM CS[C@@H](C)CC(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001282976906 804366544 /nfs/dbraw/zinc/36/65/44/804366544.db2.gz HZULJAGMSQLQPG-ZETCQYMHSA-N -1 0 317.371 -0.937 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)NC)nc1 ZINC000770616905 804366740 /nfs/dbraw/zinc/36/67/40/804366740.db2.gz JIDHECDECPDXEZ-UHFFFAOYSA-N -1 0 314.367 -0.242 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NCCNC(=O)c1cncnc1 ZINC001282982305 804368783 /nfs/dbraw/zinc/36/87/83/804368783.db2.gz SJSVAYPXPDCBKE-UHFFFAOYSA-N -1 0 302.294 -0.560 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCc1cccc2c1OCO2 ZINC000770912612 804372235 /nfs/dbraw/zinc/37/22/35/804372235.db2.gz JWIKBNGDIZWQIG-UHFFFAOYSA-N -1 0 314.319 -0.721 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCN1C ZINC000771399366 804375018 /nfs/dbraw/zinc/37/50/18/804375018.db2.gz VACJEPOFQZCMKU-ZJUUUORDSA-N -1 0 304.354 -0.378 20 0 DBADRM CC(C)(C(=O)[N-]OCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000771447906 804375847 /nfs/dbraw/zinc/37/58/47/804375847.db2.gz QLKGCIOHFUCXBI-UHFFFAOYSA-N -1 0 305.290 -0.406 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1C ZINC000771519689 804376684 /nfs/dbraw/zinc/37/66/84/804376684.db2.gz SNXZNZGATZTZOM-APPZFPTMSA-N -1 0 317.367 -0.014 20 0 DBADRM CCCC[C@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)CCOC ZINC000771602663 804378718 /nfs/dbraw/zinc/37/87/18/804378718.db2.gz QXMLAYSGQOLVLM-JTQLQIEISA-N -1 0 323.415 -0.043 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc(CC(=O)NC)cc2)c1[O-] ZINC000771877919 804381563 /nfs/dbraw/zinc/38/15/63/804381563.db2.gz KPQKUXYXXTZJTB-LBPRGKRZSA-N -1 0 319.317 -0.037 20 0 DBADRM CS(=O)(=O)[N-]C(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000772542008 804389710 /nfs/dbraw/zinc/38/97/10/804389710.db2.gz OUXNHPBPMLXMCD-UHFFFAOYSA-N -1 0 314.367 -0.369 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)N[C@H]1CCC(=O)NC1=O ZINC000772719000 804391367 /nfs/dbraw/zinc/39/13/67/804391367.db2.gz UTKRFDCLHODIDS-BYPYZUCNSA-N -1 0 318.405 -0.160 20 0 DBADRM NC(=O)CO[N-]C(=O)CNC(=O)c1cc2c(s1)CCCC2 ZINC000772935062 804394650 /nfs/dbraw/zinc/39/46/50/804394650.db2.gz BXRHWVFZTGYMEE-UHFFFAOYSA-N -1 0 311.363 -0.110 20 0 DBADRM Cn1cc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)ccc1=O ZINC000773156466 804396684 /nfs/dbraw/zinc/39/66/84/804396684.db2.gz BFMWJJLBEJSKKE-VIFPVBQESA-N -1 0 306.351 -0.171 20 0 DBADRM O=C(CN1CSCC1=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000773152652 804396793 /nfs/dbraw/zinc/39/67/93/804396793.db2.gz MOSKHPPAFZERSM-SSDOTTSWSA-N -1 0 314.396 -0.651 20 0 DBADRM COCCOCCC(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000773163143 804397116 /nfs/dbraw/zinc/39/71/16/804397116.db2.gz SZCBAUILMBZIFV-SECBINFHSA-N -1 0 301.372 -0.131 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)c1cnn(C)c1)[C@H]1CCSC1 ZINC000773957826 804410925 /nfs/dbraw/zinc/41/09/25/804410925.db2.gz ASBAMXWAMPPEFN-VIFPVBQESA-N -1 0 318.424 -0.338 20 0 DBADRM COc1cc(C(=O)[N-]S(=O)(=O)N2CCCCC2)nn1C ZINC000774003854 804412631 /nfs/dbraw/zinc/41/26/31/804412631.db2.gz JOXNPNKUASVQCA-UHFFFAOYSA-N -1 0 302.356 -0.111 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CN(C)[C@@H]1CCSC1 ZINC000774084873 804413034 /nfs/dbraw/zinc/41/30/34/804413034.db2.gz AQEGLKVEFSRIGX-NXEZZACHSA-N -1 0 310.441 -0.095 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)Cn1ccc(C)cc1=O ZINC000774088621 804413252 /nfs/dbraw/zinc/41/32/52/804413252.db2.gz FBWOABBYCNNVAM-UHFFFAOYSA-N -1 0 302.352 -0.361 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CN(C)[C@H]1CCSC1 ZINC000774084880 804413821 /nfs/dbraw/zinc/41/38/21/804413821.db2.gz AQEGLKVEFSRIGX-ZJUUUORDSA-N -1 0 310.441 -0.095 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCOC[C@@H]1C ZINC000774142550 804414509 /nfs/dbraw/zinc/41/45/09/804414509.db2.gz MDQYENKWZUHLSK-WDEREUQCSA-N -1 0 309.384 -0.232 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCc1ccnn1C ZINC000774173918 804416619 /nfs/dbraw/zinc/41/66/19/804416619.db2.gz QGTWVOVDJOTBKZ-UHFFFAOYSA-N -1 0 304.372 -0.708 20 0 DBADRM COc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)nn1C ZINC000774258057 804419051 /nfs/dbraw/zinc/41/90/51/804419051.db2.gz RZSGFXXLLQAXRQ-MRVPVSSYSA-N -1 0 303.340 -0.475 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C1CCC1 ZINC000774294354 804420039 /nfs/dbraw/zinc/42/00/39/804420039.db2.gz FGMGHKDBKNGJIO-SNVBAGLBSA-N -1 0 324.424 -0.201 20 0 DBADRM Cn1nccc1CCC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000774295554 804420533 /nfs/dbraw/zinc/42/05/33/804420533.db2.gz FDGVRTDLOFJAAP-LLVKDONJSA-N -1 0 301.368 -0.022 20 0 DBADRM COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)CNC(C)=O)c1 ZINC000774407403 804421695 /nfs/dbraw/zinc/42/16/95/804421695.db2.gz VUGBCZQIIALMSG-UHFFFAOYSA-N -1 0 316.335 -0.355 20 0 DBADRM O=C(NCCNC(=O)[C@@H]1CC[C@@H](F)C1)c1n[nH]c(=O)[n-]c1=O ZINC001283127970 804423601 /nfs/dbraw/zinc/42/36/01/804423601.db2.gz USZOZOJKYDCXAL-RNFRBKRXSA-N -1 0 313.289 -0.733 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1cc(OC)n(C)n1 ZINC000774483679 804424486 /nfs/dbraw/zinc/42/44/86/804424486.db2.gz PUQWLKZCEHMAOF-UHFFFAOYSA-N -1 0 305.356 -0.085 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000774864832 804431864 /nfs/dbraw/zinc/43/18/64/804431864.db2.gz ZGTMDJRLWDNEIJ-UHFFFAOYSA-N -1 0 317.386 -0.702 20 0 DBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1n[nH]c(=O)[n-]1 ZINC000774899868 804433128 /nfs/dbraw/zinc/43/31/28/804433128.db2.gz BRQLWLNOOSSQPW-UHFFFAOYSA-N -1 0 309.282 -0.582 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774900507 804433211 /nfs/dbraw/zinc/43/32/11/804433211.db2.gz FRFUBLLBDDKMJF-UHFFFAOYSA-N -1 0 306.278 -0.008 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)OCc1n[nH]c(=O)[n-]1 ZINC000774888431 804433388 /nfs/dbraw/zinc/43/33/88/804433388.db2.gz XDQNHXDPLVDXCW-OCAPTIKFSA-N -1 0 308.294 -0.271 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)s1 ZINC000774931886 804434291 /nfs/dbraw/zinc/43/42/91/804434291.db2.gz BLYWSVFRHRQBIF-UHFFFAOYSA-N -1 0 304.309 -0.424 20 0 DBADRM C[C@@H](C(=O)OCc1n[nH]c(=O)[n-]1)N1C(=O)NC2(CCCC2)C1=O ZINC000774941113 804434383 /nfs/dbraw/zinc/43/43/83/804434383.db2.gz OBXHRRASXBXIJC-ZETCQYMHSA-N -1 0 323.309 -0.193 20 0 DBADRM O=C(CCCS(=O)(=O)N1CCCC1)OCc1n[nH]c(=O)[n-]1 ZINC000774935335 804434762 /nfs/dbraw/zinc/43/47/62/804434762.db2.gz PTZQWGHPURLUKE-UHFFFAOYSA-N -1 0 318.355 -0.241 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774968829 804435580 /nfs/dbraw/zinc/43/55/80/804435580.db2.gz GAXNMLUGNUUWCA-UHFFFAOYSA-N -1 0 302.268 -0.584 20 0 DBADRM O=C(OCc1n[nH]c(=O)[n-]1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000774987879 804435625 /nfs/dbraw/zinc/43/56/25/804435625.db2.gz DESVVJUMRFZAOT-VIFPVBQESA-N -1 0 317.305 -0.003 20 0 DBADRM Cc1nnnn1-c1cc(N)ccc1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774962508 804435845 /nfs/dbraw/zinc/43/58/45/804435845.db2.gz UKBLSOTXRMJTFR-UHFFFAOYSA-N -1 0 316.281 -0.266 20 0 DBADRM CS(=O)(=O)c1ccc(N)c(C(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000774964834 804436039 /nfs/dbraw/zinc/43/60/39/804436039.db2.gz XLEAJKICKQHTTF-UHFFFAOYSA-N -1 0 312.307 -0.147 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001283171786 804439194 /nfs/dbraw/zinc/43/91/94/804439194.db2.gz GQPUWLFJEYSEID-DTWKUNHWSA-N -1 0 323.353 -0.506 20 0 DBADRM COCC[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)C(N)=O ZINC000775971769 804447879 /nfs/dbraw/zinc/44/78/79/804447879.db2.gz LFQSCJFZULFLRR-JTQLQIEISA-N -1 0 304.306 -0.044 20 0 DBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)c1cccc2nonc21 ZINC000776459247 804455693 /nfs/dbraw/zinc/45/56/93/804455693.db2.gz VPVGSJSEJJWUEU-ZETCQYMHSA-N -1 0 301.280 -0.663 20 0 DBADRM COC(=O)NCCCC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000776566084 804458057 /nfs/dbraw/zinc/45/80/57/804458057.db2.gz VKZPTQCFIKQXTN-QMMMGPOBSA-N -1 0 314.371 -0.048 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000776632272 804460729 /nfs/dbraw/zinc/46/07/29/804460729.db2.gz DYSGVVJMFBASAJ-SNVBAGLBSA-N -1 0 322.383 -0.688 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)OC2)C(=O)[O-] ZINC000776625503 804460871 /nfs/dbraw/zinc/46/08/71/804460871.db2.gz HHAVTPVZCGWVKP-JTQLQIEISA-N -1 0 315.303 -0.265 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N(CCC(=O)[O-])C1CC1 ZINC000776655908 804461669 /nfs/dbraw/zinc/46/16/69/804461669.db2.gz IPEIARJEEVEMKA-UHFFFAOYSA-N -1 0 308.356 -0.335 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000776701600 804461819 /nfs/dbraw/zinc/46/18/19/804461819.db2.gz SOCZYSWJASFMJK-VIFPVBQESA-N -1 0 317.367 -0.061 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000776701598 804462002 /nfs/dbraw/zinc/46/20/02/804462002.db2.gz SOCZYSWJASFMJK-SECBINFHSA-N -1 0 317.367 -0.061 20 0 DBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)CC1CCOCC1 ZINC000776685197 804462008 /nfs/dbraw/zinc/46/20/08/804462008.db2.gz MNRYTWHCAQZLBX-SNVBAGLBSA-N -1 0 309.384 -0.100 20 0 DBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000776700928 804462104 /nfs/dbraw/zinc/46/21/04/804462104.db2.gz NZQADVWCJJYFNO-SECBINFHSA-N -1 0 315.351 -0.307 20 0 DBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)N(C)C1CCOCC1 ZINC000776686060 804462161 /nfs/dbraw/zinc/46/21/61/804462161.db2.gz XPOXNIOFHLAYNP-JTQLQIEISA-N -1 0 324.399 -0.501 20 0 DBADRM CCN(C)S(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC000776717651 804462970 /nfs/dbraw/zinc/46/29/70/804462970.db2.gz ZEPPTUPMDYRQIX-UHFFFAOYSA-N -1 0 305.356 -0.122 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@H](n3cncn3)C2)c[nH]1 ZINC000776743757 804463191 /nfs/dbraw/zinc/46/31/91/804463191.db2.gz TYOYDNBTQMDETN-QMMMGPOBSA-N -1 0 311.323 -0.060 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OC)cc1 ZINC000777344033 804469527 /nfs/dbraw/zinc/46/95/27/804469527.db2.gz HRFGNRGORLZQHL-MRVPVSSYSA-N -1 0 300.336 -0.114 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000777360743 804470129 /nfs/dbraw/zinc/47/01/29/804470129.db2.gz QQLCNGZYGQULLL-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM CN(CCO)c1ccc(NC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC000777433449 804471309 /nfs/dbraw/zinc/47/13/09/804471309.db2.gz MLRLKGOSICHUOC-UHFFFAOYSA-N -1 0 305.294 -0.036 20 0 DBADRM NC(=O)Cn1ccc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)n1 ZINC000777612885 804473497 /nfs/dbraw/zinc/47/34/97/804473497.db2.gz NIRAVLAKAJFRPG-UHFFFAOYSA-N -1 0 324.366 -0.224 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)[N-]N2CN=NC2=O)c(C)o1 ZINC000777767426 804475212 /nfs/dbraw/zinc/47/52/12/804475212.db2.gz ITUXIXHOTWBQTI-UHFFFAOYSA-N -1 0 301.284 -0.823 20 0 DBADRM COc1ccccc1S(=O)(=O)[N-]C(=O)CN1CCOCC1 ZINC000778650062 804486707 /nfs/dbraw/zinc/48/67/07/804486707.db2.gz IACHHEAZOODEGC-UHFFFAOYSA-N -1 0 314.363 -0.168 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cn1 ZINC000778696143 804487833 /nfs/dbraw/zinc/48/78/33/804487833.db2.gz DWIVTQDEHRMHDG-VIFPVBQESA-N -1 0 315.351 -0.029 20 0 DBADRM CN1CCC[C@H](OC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1=O ZINC000778800199 804488832 /nfs/dbraw/zinc/48/88/32/804488832.db2.gz HBQNFELRLDYBEV-VIFPVBQESA-N -1 0 305.294 -0.765 20 0 DBADRM CCOCCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC ZINC000778846642 804490073 /nfs/dbraw/zinc/49/00/73/804490073.db2.gz BXFHXMFYWCJIIZ-UHFFFAOYSA-N -1 0 305.356 -0.031 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)c2cnn(C)c2)c(C)nn1C ZINC000778852316 804490240 /nfs/dbraw/zinc/49/02/40/804490240.db2.gz NGDDTLFVCQOQJX-UHFFFAOYSA-N -1 0 313.339 -0.411 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)c2cocn2)c(C)nn1C ZINC000778859267 804491063 /nfs/dbraw/zinc/49/10/63/804491063.db2.gz MXRPIJCTZHMZKJ-UHFFFAOYSA-N -1 0 300.296 -0.156 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000779210265 804495461 /nfs/dbraw/zinc/49/54/61/804495461.db2.gz VALBVOJQOMEYMU-UHFFFAOYSA-N -1 0 323.396 -0.645 20 0 DBADRM O=C(Cc1ccccc1CO)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000779769411 804507997 /nfs/dbraw/zinc/50/79/97/804507997.db2.gz RIOBEXZLMDSUCT-LBPRGKRZSA-N -1 0 303.322 -0.165 20 0 DBADRM CC[C@H](NC(=O)NCCS(=O)(=O)NCC1CCC1)C(=O)[O-] ZINC000780567231 804516417 /nfs/dbraw/zinc/51/64/17/804516417.db2.gz CHWZKQALLITOMY-JTQLQIEISA-N -1 0 321.399 -0.132 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)N1CCOC[C@@H]1C(=O)[O-])CC2 ZINC000780528911 804516645 /nfs/dbraw/zinc/51/66/45/804516645.db2.gz MAWAQMNPHBIHDC-NXEZZACHSA-N -1 0 309.326 -0.604 20 0 DBADRM O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780613546 804517752 /nfs/dbraw/zinc/51/77/52/804517752.db2.gz VFSGAQSPYOZCBO-MNOVXSKESA-N -1 0 307.368 -0.193 20 0 DBADRM O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780613548 804517867 /nfs/dbraw/zinc/51/78/67/804517867.db2.gz VFSGAQSPYOZCBO-WDEREUQCSA-N -1 0 307.368 -0.193 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000780696675 804519094 /nfs/dbraw/zinc/51/90/94/804519094.db2.gz ONLOYYXDBJNPRC-ZJUUUORDSA-N -1 0 319.383 -0.331 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)N(CC(=O)[O-])C1CC1)CC2 ZINC000780657187 804519162 /nfs/dbraw/zinc/51/91/62/804519162.db2.gz SVUVNOGHAOVWQK-SECBINFHSA-N -1 0 323.353 -0.002 20 0 DBADRM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2nc[nH]n2)C1=O ZINC000781416636 804528914 /nfs/dbraw/zinc/52/89/14/804528914.db2.gz POGFLAQREGMUJQ-ZDUSSCGKSA-N -1 0 300.278 -0.083 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C(=O)OC)no1 ZINC000781462205 804529119 /nfs/dbraw/zinc/52/91/19/804529119.db2.gz QGEMBHVFCAHFOT-UHFFFAOYSA-N -1 0 321.311 -0.986 20 0 DBADRM CCn1cc(CC(=O)[N-]S(=O)(=O)N2CCOCC2)cn1 ZINC000781487778 804529629 /nfs/dbraw/zinc/52/96/29/804529629.db2.gz MWGKJMIYFNIQJB-UHFFFAOYSA-N -1 0 302.356 -0.861 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781513491 804529772 /nfs/dbraw/zinc/52/97/72/804529772.db2.gz PRDANBGIQMMQFK-SECBINFHSA-N -1 0 306.384 -0.226 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)/C=C/c1ccncn1 ZINC000781508153 804529804 /nfs/dbraw/zinc/52/98/04/804529804.db2.gz PQXXYZRUQNFDQF-ONEGZZNKSA-N -1 0 300.340 -0.571 20 0 DBADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)no1 ZINC000781514787 804530001 /nfs/dbraw/zinc/53/00/01/804530001.db2.gz MDQXONVGGLVKPY-SECBINFHSA-N -1 0 304.324 -0.013 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnn(CC2CC2)c1)[C@H]1COCCO1 ZINC000781719317 804533066 /nfs/dbraw/zinc/53/30/66/804533066.db2.gz HMSPMYFBZMZBPW-LLVKDONJSA-N -1 0 315.351 -0.487 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2cnnn2C)c1C ZINC000781728068 804533449 /nfs/dbraw/zinc/53/34/49/804533449.db2.gz FIGRXPZGVCSITE-UHFFFAOYSA-N -1 0 312.355 -0.233 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1 ZINC000781734536 804534529 /nfs/dbraw/zinc/53/45/29/804534529.db2.gz MDVYEMYPJHSSNJ-UHFFFAOYSA-N -1 0 309.307 -0.967 20 0 DBADRM C[C@@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)c2cnnn2C)O1 ZINC000781736588 804534565 /nfs/dbraw/zinc/53/45/65/804534565.db2.gz XUAYCLWTSBTDGC-RKDXNWHRSA-N -1 0 302.356 -0.032 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781731348 804534612 /nfs/dbraw/zinc/53/46/12/804534612.db2.gz AFKNFKAWIMKGOE-UHFFFAOYSA-N -1 0 304.328 -0.791 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCO2 ZINC000781738194 804534721 /nfs/dbraw/zinc/53/47/21/804534721.db2.gz SVNLLRSWAKZSCY-UHFFFAOYSA-N -1 0 310.291 -0.338 20 0 DBADRM COC(=O)c1coc(C(=O)[N-]S(=O)(=O)c2cnnn2C)c1 ZINC000781740680 804535551 /nfs/dbraw/zinc/53/55/51/804535551.db2.gz FHHQUFIEYPRIPC-UHFFFAOYSA-N -1 0 314.279 -0.687 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C ZINC000781744685 804535685 /nfs/dbraw/zinc/53/56/85/804535685.db2.gz DZVAQLNMDRGQBT-UHFFFAOYSA-N -1 0 317.371 -0.828 20 0 DBADRM CN1C(=O)CN([N-]S(=O)(=O)c2ccc(Cl)nc2)C1=O ZINC000782129544 804540910 /nfs/dbraw/zinc/54/09/10/804540910.db2.gz BAUIDFKBKNDQFD-UHFFFAOYSA-N -1 0 304.715 -0.178 20 0 DBADRM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]N1CC(=O)N(C)C1=O ZINC001324926862 807016353 /nfs/dbraw/zinc/01/63/53/807016353.db2.gz HNMTZMGIGRNSGV-UHFFFAOYSA-N -1 0 318.293 -0.078 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cnc3n[nH]nc3c2)cn1 ZINC000783068530 804560750 /nfs/dbraw/zinc/56/07/50/804560750.db2.gz ZLVXQGRHMABROW-UHFFFAOYSA-N -1 0 307.295 -0.795 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000883637014 807019809 /nfs/dbraw/zinc/01/98/09/807019809.db2.gz FPTZZOQLDOYPSJ-GARJFASQSA-N -1 0 314.338 -0.818 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000883637753 807019949 /nfs/dbraw/zinc/01/99/49/807019949.db2.gz VPDNHGRYNRCXPJ-VHSXEESVSA-N -1 0 302.327 -0.818 20 0 DBADRM CO[C@H]1COCC[C@H]1N(C)C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000883637754 807020004 /nfs/dbraw/zinc/02/00/04/807020004.db2.gz VPDNHGRYNRCXPJ-ZJUUUORDSA-N -1 0 302.327 -0.818 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1cnc2n[nH]nc2c1 ZINC000783136454 804561867 /nfs/dbraw/zinc/56/18/67/804561867.db2.gz JMIXREWLSFJMET-UHFFFAOYSA-N -1 0 307.295 -0.795 20 0 DBADRM C[C@H](CO[N-]C(=O)CS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC000783662109 804569416 /nfs/dbraw/zinc/56/94/16/804569416.db2.gz DHUAQGLFAHFQMX-MRVPVSSYSA-N -1 0 310.372 -0.008 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)CO1 ZINC000784484735 804580590 /nfs/dbraw/zinc/58/05/90/804580590.db2.gz PSCBIEQIGUHXPK-HTQZYQBOSA-N -1 0 315.351 -0.646 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)c2ccnn2C)n1 ZINC000784547201 804582175 /nfs/dbraw/zinc/58/21/75/804582175.db2.gz MQNDNDPTLIXJEK-UHFFFAOYSA-N -1 0 313.339 -0.618 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CO[C@@H](C)C2)c(C)nn1C ZINC000784557609 804583271 /nfs/dbraw/zinc/58/32/71/804583271.db2.gz WSZCLKPZXNSXOD-CBAPKCEASA-N -1 0 317.367 -0.033 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C)c1Cl ZINC000784854836 804587629 /nfs/dbraw/zinc/58/76/29/804587629.db2.gz MMWXVDDHJZUNNK-LURJTMIESA-N -1 0 320.758 -0.501 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)C(C)C ZINC000784853911 804588057 /nfs/dbraw/zinc/58/80/57/804588057.db2.gz CEURIPCGAHMTHZ-UHFFFAOYSA-N -1 0 300.402 -0.488 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)CS(=O)(=O)N(CC)CC ZINC000784873899 804589225 /nfs/dbraw/zinc/58/92/25/804589225.db2.gz JABSXUOSBGQKQX-UHFFFAOYSA-N -1 0 300.402 -0.486 20 0 DBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O ZINC000785094820 804591545 /nfs/dbraw/zinc/59/15/45/804591545.db2.gz YUMBCTUYSBYAIR-QMMMGPOBSA-N -1 0 305.356 -0.437 20 0 DBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)CCN1CCCS1(=O)=O ZINC000785087066 804591558 /nfs/dbraw/zinc/59/15/58/804591558.db2.gz WAIRHDCUAQJBHC-VIFPVBQESA-N -1 0 312.413 -0.344 20 0 DBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)CS(=O)(=O)N(CC)CC ZINC000785091983 804591958 /nfs/dbraw/zinc/59/19/58/804591958.db2.gz BXDQZQKRUNUAIK-SECBINFHSA-N -1 0 314.429 -0.098 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000785384114 804597320 /nfs/dbraw/zinc/59/73/20/804597320.db2.gz HEPSIJXUUUQCNG-UHFFFAOYSA-N -1 0 303.221 -0.240 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000785358277 804597776 /nfs/dbraw/zinc/59/77/76/804597776.db2.gz FVXMPMJACFMHDW-UHFFFAOYSA-N -1 0 315.351 -0.043 20 0 DBADRM COc1c(F)cc(F)cc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785386295 804597863 /nfs/dbraw/zinc/59/78/63/804597863.db2.gz TYFIFJGGGYDYBY-UHFFFAOYSA-N -1 0 303.221 -0.555 20 0 DBADRM CCCc1nc(C)c(NC(=O)C(=O)[N-]OCC(N)=O)s1 ZINC000785387728 804598387 /nfs/dbraw/zinc/59/83/87/804598387.db2.gz GHYXDAUVQPQKFP-UHFFFAOYSA-N -1 0 300.340 -0.124 20 0 DBADRM COC[C@@H](NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])C(N)=O ZINC000786467541 804615147 /nfs/dbraw/zinc/61/51/47/804615147.db2.gz INYMOWXJHTWJDJ-SNVBAGLBSA-N -1 0 322.296 -0.053 20 0 DBADRM COC[C@H](NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])C(N)=O ZINC000786467540 804615344 /nfs/dbraw/zinc/61/53/44/804615344.db2.gz INYMOWXJHTWJDJ-JTQLQIEISA-N -1 0 322.296 -0.053 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCC(=O)NC(N)=O ZINC000786772621 804621652 /nfs/dbraw/zinc/62/16/52/804621652.db2.gz QEUGIWGKFOBLMW-LURJTMIESA-N -1 0 313.232 -0.572 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000786945822 804625431 /nfs/dbraw/zinc/62/54/31/804625431.db2.gz NYDSWZHPZVEEMV-NXEZZACHSA-N -1 0 305.400 -0.021 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[N-]OCCO)cc1 ZINC000787286878 804632261 /nfs/dbraw/zinc/63/22/61/804632261.db2.gz MWBNVBUECTZDDN-JTQLQIEISA-N -1 0 302.352 -0.298 20 0 DBADRM CCOC(=O)NCCC(=O)NCc1nc(C(=O)OCC)n[nH]1 ZINC000787904792 804645030 /nfs/dbraw/zinc/64/50/30/804645030.db2.gz CVMYQMMNPXTJQC-UHFFFAOYSA-N -1 0 313.314 -0.266 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000787930580 804645824 /nfs/dbraw/zinc/64/58/24/804645824.db2.gz GERZGPZASOXUAZ-SSDOTTSWSA-N -1 0 315.289 -0.305 20 0 DBADRM CC(C)CN1C[C@@H]2CN(C(=O)c3cc(=O)[nH][n-]3)CCN2C1=O ZINC000787925838 804646198 /nfs/dbraw/zinc/64/61/98/804646198.db2.gz QFKOZCXGUVVBDP-JTQLQIEISA-N -1 0 307.354 -0.533 20 0 DBADRM O=C([O-])CN(Cc1ccncc1)S(=O)(=O)N1CCOCC1 ZINC000787934214 804647076 /nfs/dbraw/zinc/64/70/76/804647076.db2.gz MSBZHDMSGMRGPE-UHFFFAOYSA-N -1 0 315.351 -0.455 20 0 DBADRM C[C@H](NC(=O)c1cc(=O)[nH][n-]1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787935266 804647135 /nfs/dbraw/zinc/64/71/35/804647135.db2.gz NEPIUFOVIZYPRT-CPFSXVBKSA-N -1 0 305.290 -0.171 20 0 DBADRM CC(=O)C[C@@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC000787934597 804647145 /nfs/dbraw/zinc/64/71/45/804647145.db2.gz JEBGXPPGXMYAFH-SNVBAGLBSA-N -1 0 308.356 -0.636 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)cc1 ZINC000788091597 804649512 /nfs/dbraw/zinc/64/95/12/804649512.db2.gz QTKHTCQXLQTWLN-UHFFFAOYSA-N -1 0 324.318 -0.217 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc2n[nH]nc2c1 ZINC000788175337 804651629 /nfs/dbraw/zinc/65/16/29/804651629.db2.gz AZSGOGGSRSYFOB-UHFFFAOYSA-N -1 0 311.323 -0.846 20 0 DBADRM Cn1nncc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000788205442 804653843 /nfs/dbraw/zinc/65/38/43/804653843.db2.gz LUVJZSCOUCMFNU-UHFFFAOYSA-N -1 0 317.352 -0.586 20 0 DBADRM CC(C)(O)CO[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000788219573 804653970 /nfs/dbraw/zinc/65/39/70/804653970.db2.gz AGUCUSCEXZFBMH-UHFFFAOYSA-N -1 0 310.306 -0.036 20 0 DBADRM O=C([O-])/C=C\CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000788447568 804661943 /nfs/dbraw/zinc/66/19/43/804661943.db2.gz OAUZBRRDERHEIC-UPHRSURJSA-N -1 0 310.331 -0.108 20 0 DBADRM C[C@H]1OCCN(S(=O)(=O)N(C)C2CCOCC2)[C@@H]1C(=O)[O-] ZINC000788461785 804662000 /nfs/dbraw/zinc/66/20/00/804662000.db2.gz SPYMQOSVWKXVIT-KOLCDFICSA-N -1 0 322.383 -0.484 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cnc(Cl)n1C)CC(=O)[O-] ZINC000788693577 804666465 /nfs/dbraw/zinc/66/64/65/804666465.db2.gz LBYUPBWWNNSFSU-ZCFIWIBFSA-N -1 0 311.747 -0.159 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccn(CC(F)F)n1 ZINC000789434381 804673586 /nfs/dbraw/zinc/67/35/86/804673586.db2.gz CPMLQFWZDZXJIS-ZETCQYMHSA-N -1 0 309.294 -0.003 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000789426915 804673764 /nfs/dbraw/zinc/67/37/64/804673764.db2.gz CDDDJLRMHWTIMB-SNVBAGLBSA-N -1 0 320.330 -0.010 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)c1ccc2c(c1)OCC(=O)N2 ZINC000789791346 804676424 /nfs/dbraw/zinc/67/64/24/804676424.db2.gz OBZGIOSVDODANZ-UHFFFAOYSA-N -1 0 322.302 -0.141 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)c1cccc(-n2cnnn2)c1 ZINC000789791723 804676539 /nfs/dbraw/zinc/67/65/39/804676539.db2.gz SJVIWPSMCNEGNG-UHFFFAOYSA-N -1 0 319.306 -0.496 20 0 DBADRM CNC(=O)c1cccc(NC(=O)C(=O)[N-]OCCOC)c1C ZINC000789824875 804677675 /nfs/dbraw/zinc/67/76/75/804677675.db2.gz FBIAWPCUDQHVCL-UHFFFAOYSA-N -1 0 309.322 -0.013 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000789823936 804677742 /nfs/dbraw/zinc/67/77/42/804677742.db2.gz AOEQFCSTAUEKJP-UHFFFAOYSA-N -1 0 305.294 -0.100 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccccc1-n1cncn1 ZINC000789822875 804677829 /nfs/dbraw/zinc/67/78/29/804677829.db2.gz MNASAKDNVFOXNJ-UHFFFAOYSA-N -1 0 305.294 -0.100 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000789820731 804677865 /nfs/dbraw/zinc/67/78/65/804677865.db2.gz ABDBQADSRHVSMG-UHFFFAOYSA-N -1 0 305.294 -0.100 20 0 DBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000790768635 804695517 /nfs/dbraw/zinc/69/55/17/804695517.db2.gz XVHKRKUSFZXGGB-UHFFFAOYSA-N -1 0 312.347 -0.509 20 0 DBADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000790782189 804695660 /nfs/dbraw/zinc/69/56/60/804695660.db2.gz WQJVQVUDFVTODE-JTQLQIEISA-N -1 0 306.384 -0.273 20 0 DBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)c1ccccc1F ZINC000790767390 804695771 /nfs/dbraw/zinc/69/57/71/804695771.db2.gz KJFNJEZWUUMODE-UHFFFAOYSA-N -1 0 316.310 -0.511 20 0 DBADRM CC(C)=CC(=O)NCC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001284412419 804699735 /nfs/dbraw/zinc/69/97/35/804699735.db2.gz KBEQXAPVCOJBIB-SECBINFHSA-N -1 0 311.342 -0.334 20 0 DBADRM CC(C)(O)CO[N-]C(=O)CSCC(=O)N1CCOCC1 ZINC000791262997 804701883 /nfs/dbraw/zinc/70/18/83/804701883.db2.gz IBCMNFALTAMTCI-UHFFFAOYSA-N -1 0 306.384 -0.603 20 0 DBADRM CCc1ccc(NC(=O)c2cc(=O)[nH][n-]2)cc1S(N)(=O)=O ZINC000791341099 804702845 /nfs/dbraw/zinc/70/28/45/804702845.db2.gz VCHVQGFYAUOQFB-UHFFFAOYSA-N -1 0 310.335 -0.289 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCCC1)[C@H]1CCCCS1(=O)=O ZINC000791785544 804707925 /nfs/dbraw/zinc/70/79/25/804707925.db2.gz KXXQCQXONNRBQP-SNVBAGLBSA-N -1 0 324.424 -0.199 20 0 DBADRM O=C(CCOCC(F)F)[N-]S(=O)(=O)N1CCOCC1 ZINC000791821060 804708988 /nfs/dbraw/zinc/70/89/88/804708988.db2.gz QGDSJGPVZFZVOZ-UHFFFAOYSA-N -1 0 302.299 -0.649 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1cncc(OC)n1 ZINC000791878254 804710079 /nfs/dbraw/zinc/71/00/79/804710079.db2.gz KMOOZFYGRKFWIT-UHFFFAOYSA-N -1 0 303.340 -0.029 20 0 DBADRM CCc1nn(C)c(CC)c1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000791873206 804710197 /nfs/dbraw/zinc/71/01/97/804710197.db2.gz DYRVFEQCOKDKNL-UHFFFAOYSA-N -1 0 316.383 -0.981 20 0 DBADRM Nc1cc(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)ccn1 ZINC000791869346 804710352 /nfs/dbraw/zinc/71/03/52/804710352.db2.gz IMHDPKKTJISZNV-UHFFFAOYSA-N -1 0 300.278 -0.208 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)OC(C)(C)C ZINC000792507365 804717120 /nfs/dbraw/zinc/71/71/20/804717120.db2.gz XEMJGDKOTLXJEO-ZCFIWIBFSA-N -1 0 313.314 -0.074 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CC1OCCCO1 ZINC000793225155 804726916 /nfs/dbraw/zinc/72/69/16/804726916.db2.gz WQBANPKHQKECBI-BDAKNGLRSA-N -1 0 323.367 -0.217 20 0 DBADRM CSCCO[N-]C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000794185100 804744826 /nfs/dbraw/zinc/74/48/26/804744826.db2.gz WBXAUJCMHRAZOD-UHFFFAOYSA-N -1 0 308.385 -0.891 20 0 DBADRM COC[C@@H](CO)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000794143182 804744883 /nfs/dbraw/zinc/74/48/83/804744883.db2.gz NAQOUQCHIAEXKM-SFYZADRCSA-N -1 0 300.277 -0.187 20 0 DBADRM COC[C@H](CO)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000794143183 804744942 /nfs/dbraw/zinc/74/49/42/804744942.db2.gz NAQOUQCHIAEXKM-YUMQZZPRSA-N -1 0 300.277 -0.187 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)/C=C/C1CC1 ZINC001284634110 804751203 /nfs/dbraw/zinc/75/12/03/804751203.db2.gz MLCOGLGEJMBBOP-AATRIKPKSA-N -1 0 321.337 -0.173 20 0 DBADRM Cc1[nH]nc([N-]S(=O)(=O)C[C@@H]2CCCOC2)c1C(N)=O ZINC000795348517 804758896 /nfs/dbraw/zinc/75/88/96/804758896.db2.gz NNRYENAPRCZVBZ-MRVPVSSYSA-N -1 0 302.356 -0.015 20 0 DBADRM Cn1cc(C(=O)CCC(=O)[N-]S(=O)(=O)c2cnccn2)cn1 ZINC000796766460 804773618 /nfs/dbraw/zinc/77/36/18/804773618.db2.gz YZNCHLQSHBMIFB-UHFFFAOYSA-N -1 0 323.334 -0.322 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C[C@H]1CCC(=O)[C@@H]1C ZINC000796764166 804773819 /nfs/dbraw/zinc/77/38/19/804773819.db2.gz VKLFFKQANOWVTF-NXEZZACHSA-N -1 0 306.384 -0.069 20 0 DBADRM Cn1cc(C(=O)CCC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cn1 ZINC000796714339 804773850 /nfs/dbraw/zinc/77/38/50/804773850.db2.gz WJSLAYHIHPWSJM-SNVBAGLBSA-N -1 0 315.351 -0.382 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000796748675 804773912 /nfs/dbraw/zinc/77/39/12/804773912.db2.gz MWADAVYXHZJAFA-KWQFWETISA-N -1 0 316.383 -0.224 20 0 DBADRM O=C(CCc1cnccn1)[N-]S(=O)(=O)N1CCOCC1 ZINC000796731146 804774101 /nfs/dbraw/zinc/77/41/01/804774101.db2.gz HHVOWGAHFDTDQM-UHFFFAOYSA-N -1 0 300.340 -0.898 20 0 DBADRM NC(=O)[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)C1 ZINC000796873145 804774873 /nfs/dbraw/zinc/77/48/73/804774873.db2.gz JZCXFTTXPBVUFB-YUMQZZPRSA-N -1 0 300.340 -0.494 20 0 DBADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1cc[nH]n1)N1CCCC1=O ZINC000796873192 804775010 /nfs/dbraw/zinc/77/50/10/804775010.db2.gz ISYOOAKNCIFHHW-NSHDSACASA-N -1 0 314.367 -0.138 20 0 DBADRM NC(=O)[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)C1 ZINC000796873143 804775052 /nfs/dbraw/zinc/77/50/52/804775052.db2.gz JZCXFTTXPBVUFB-JGVFFNPUSA-N -1 0 300.340 -0.494 20 0 DBADRM COc1ncc(C=CC(=O)[N-]S(=O)(=O)c2cc[nH]n2)cn1 ZINC000796882039 804775089 /nfs/dbraw/zinc/77/50/89/804775089.db2.gz AMAIPPYNTAAIRF-NSCUHMNNSA-N -1 0 309.307 -0.273 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)[C@@]12CCC(=O)N1CCS2 ZINC000796882905 804775146 /nfs/dbraw/zinc/77/51/46/804775146.db2.gz KUGNSKQBHZGEMN-JTQLQIEISA-N -1 0 316.364 -0.720 20 0 DBADRM NC(=O)COc1ccccc1C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796883346 804776129 /nfs/dbraw/zinc/77/61/29/804776129.db2.gz MIZOPDWUBRTYRP-UHFFFAOYSA-N -1 0 324.318 -0.608 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)COCc1ncc(C)o1 ZINC000797020010 804776461 /nfs/dbraw/zinc/77/64/61/804776461.db2.gz IHDNBUSYHMVCEW-VIFPVBQESA-N -1 0 306.340 -0.019 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2 ZINC000796970377 804776632 /nfs/dbraw/zinc/77/66/32/804776632.db2.gz IVSHMXBBXAWUIA-UHFFFAOYSA-N -1 0 302.356 -0.018 20 0 DBADRM COC(=O)[C@@]1(C[N-]C(=O)C(F)(F)F)C[C@@H]1S(C)(=O)=O ZINC000882540097 806986429 /nfs/dbraw/zinc/98/64/29/806986429.db2.gz XQKQQOREUAFNOY-YLWLKBPMSA-N -1 0 303.258 -0.359 20 0 DBADRM CCO[N-]C(=O)CNc1ccnc(C(=O)N2CCOCC2)c1 ZINC000882527709 806986504 /nfs/dbraw/zinc/98/65/04/806986504.db2.gz HPQMBFGVLNYPFK-UHFFFAOYSA-N -1 0 308.338 -0.545 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1nnn(C(C)C)c1C ZINC000796962054 804776694 /nfs/dbraw/zinc/77/66/94/804776694.db2.gz CWNVRSWDCXILTK-UHFFFAOYSA-N -1 0 319.387 -0.280 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000796995542 804776715 /nfs/dbraw/zinc/77/67/15/804776715.db2.gz IVFCBNFEYZEUKE-UHFFFAOYSA-N -1 0 317.371 -0.412 20 0 DBADRM O=C(CCn1cnccc1=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000797053009 804776963 /nfs/dbraw/zinc/77/69/63/804776963.db2.gz DZGXLOIHXARHTE-JTQLQIEISA-N -1 0 315.351 -0.742 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1cnn2c1OCCC2 ZINC000796997500 804777062 /nfs/dbraw/zinc/77/70/62/804777062.db2.gz ZAJMRPJBLXHXLR-VIFPVBQESA-N -1 0 315.351 -0.238 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2 ZINC000796963053 804777073 /nfs/dbraw/zinc/77/70/73/804777073.db2.gz JHNJCSNFPDXEIR-UHFFFAOYSA-N -1 0 318.355 -0.782 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccnn2C)[nH]1 ZINC000797084299 804777651 /nfs/dbraw/zinc/77/76/51/804777651.db2.gz SOWHRCBQMPMZCD-UHFFFAOYSA-N -1 0 312.307 -0.347 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)COCc1ncc(C)o1 ZINC000797130297 804777978 /nfs/dbraw/zinc/77/79/78/804777978.db2.gz QAIXCBPJKLELIP-UHFFFAOYSA-N -1 0 321.355 -0.561 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1nnn(C(C)C)c1C ZINC000797063187 804778142 /nfs/dbraw/zinc/77/81/42/804778142.db2.gz PXLRIGWSVOJWJU-QMMMGPOBSA-N -1 0 318.355 -0.211 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCn1cnccc1=O ZINC000797168315 804778147 /nfs/dbraw/zinc/77/81/47/804778147.db2.gz DITBKTAWFJIHRP-VIFPVBQESA-N -1 0 303.340 -0.886 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccn(C)c1=O ZINC000797279780 804778923 /nfs/dbraw/zinc/77/89/23/804778923.db2.gz HLGQFWDOJRPLRX-SSDOTTSWSA-N -1 0 302.308 -0.994 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)COCc1cc(C)no1 ZINC000797279794 804779095 /nfs/dbraw/zinc/77/90/95/804779095.db2.gz HLKYZJHPNIMHAR-MRVPVSSYSA-N -1 0 320.323 -0.493 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn2ccccc12 ZINC000797281806 804779150 /nfs/dbraw/zinc/77/91/50/804779150.db2.gz NZLUYIKMGPBUGB-QMMMGPOBSA-N -1 0 311.319 -0.045 20 0 DBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000797249559 804779173 /nfs/dbraw/zinc/77/91/73/804779173.db2.gz TYDUOBIDSAMVPV-UHFFFAOYSA-N -1 0 312.347 -0.095 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCN1CCCC1=O ZINC000797290216 804779681 /nfs/dbraw/zinc/77/96/81/804779681.db2.gz JJCMFWVHXFCXPF-MRVPVSSYSA-N -1 0 306.340 -0.994 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1occ2c1CCOC2 ZINC000797292636 804779785 /nfs/dbraw/zinc/77/97/85/804779785.db2.gz SLPGAMQOBOTMJR-SSDOTTSWSA-N -1 0 317.319 -0.027 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000797295259 804779887 /nfs/dbraw/zinc/77/98/87/804779887.db2.gz SVOJQTZRCPYYOK-HTQZYQBOSA-N -1 0 318.351 -0.995 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000797289738 804779986 /nfs/dbraw/zinc/77/99/86/804779986.db2.gz HZNDTRFOXPKFPH-SSDOTTSWSA-N -1 0 309.340 -0.417 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000797285467 804780014 /nfs/dbraw/zinc/78/00/14/804780014.db2.gz OBSBBMMYUPVFCQ-NRPADANISA-N -1 0 322.383 -0.455 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CN1CCSC1=O ZINC000797301904 804780624 /nfs/dbraw/zinc/78/06/24/804780624.db2.gz DAAXKKKAPBDLNN-LURJTMIESA-N -1 0 310.353 -0.837 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)nn1 ZINC000797299940 804780753 /nfs/dbraw/zinc/78/07/53/804780753.db2.gz OFUIWAJDUYSHKC-SSDOTTSWSA-N -1 0 304.328 -0.691 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1SC ZINC000797306077 804780781 /nfs/dbraw/zinc/78/07/81/804780781.db2.gz MUPKWFHJGUYHDN-LURJTMIESA-N -1 0 321.380 -0.237 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(OC)n(C)n1 ZINC000797304414 804780792 /nfs/dbraw/zinc/78/07/92/804780792.db2.gz IIXRKJCRCIOTAF-ZCFIWIBFSA-N -1 0 305.312 -0.950 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)[nH]c(=O)c1 ZINC000797308522 804781590 /nfs/dbraw/zinc/78/15/90/804781590.db2.gz ZIIPYOWINFOTQX-SSDOTTSWSA-N -1 0 302.308 -0.283 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000797718246 804783854 /nfs/dbraw/zinc/78/38/54/804783854.db2.gz PHZWYDAKGNITOA-YUMQZZPRSA-N -1 0 311.335 -0.868 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(C)=O)cn1C ZINC000798200109 804787033 /nfs/dbraw/zinc/78/70/33/804787033.db2.gz NXJZBOXJHJEKBL-MRVPVSSYSA-N -1 0 316.335 -0.151 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)cn1 ZINC000798201647 804787316 /nfs/dbraw/zinc/78/73/16/804787316.db2.gz VVLIPHMHQAXUST-MRVPVSSYSA-N -1 0 303.340 -0.086 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H](OC)c1cnn(C)c1 ZINC000798827824 804802546 /nfs/dbraw/zinc/80/25/46/804802546.db2.gz CFTSUEUNTLHKEB-JTQLQIEISA-N -1 0 305.356 -0.410 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](OC)c1cnn(C)c1 ZINC000798830185 804802567 /nfs/dbraw/zinc/80/25/67/804802567.db2.gz OIHXUPFKUXZMGC-PSASIEDQSA-N -1 0 305.356 -0.412 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@]1(C)CCC(=O)NC1 ZINC000798844409 804802655 /nfs/dbraw/zinc/80/26/55/804802655.db2.gz XPBVBNJVYUEKIK-LBPRGKRZSA-N -1 0 322.383 -0.988 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cnnn2C)cc1C(N)=O ZINC000798830100 804802661 /nfs/dbraw/zinc/80/26/61/804802661.db2.gz NDLGKIPDGOISBF-UHFFFAOYSA-N -1 0 323.334 -0.659 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1)c1cnn(C)c1 ZINC000798850518 804802976 /nfs/dbraw/zinc/80/29/76/804802976.db2.gz MPWOYEZBNQQBTI-GHMZBOCLSA-N -1 0 317.367 -0.267 20 0 DBADRM NC(=O)C1(C(=O)NCC2=CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001284959024 804809233 /nfs/dbraw/zinc/80/92/33/804809233.db2.gz FQWOGRDTHSSRQX-UHFFFAOYSA-N -1 0 320.353 -0.976 20 0 DBADRM CC/C(C)=C/C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001284964046 804812157 /nfs/dbraw/zinc/81/21/57/804812157.db2.gz JZFRSOSEKIXCPZ-XBXARRHUSA-N -1 0 321.337 -0.173 20 0 DBADRM C[C@@H](NC(=O)COC(=O)c1cccc2n[nH]nc21)C(=O)N(C)C ZINC000800206970 804821929 /nfs/dbraw/zinc/82/19/29/804821929.db2.gz PHSWGBGMPXSJDV-MRVPVSSYSA-N -1 0 319.321 -0.292 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC000800400315 804824505 /nfs/dbraw/zinc/82/45/05/804824505.db2.gz ZSIXRJNADJAKTQ-GMTAPVOTSA-N -1 0 309.384 -0.091 20 0 DBADRM CC(C)NC(=O)CCCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800549020 804825181 /nfs/dbraw/zinc/82/51/81/804825181.db2.gz GGDNFFHYPSGNRT-UHFFFAOYSA-N -1 0 321.399 -0.737 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1scnc1Cl ZINC000800550264 804825233 /nfs/dbraw/zinc/82/52/33/804825233.db2.gz UIHQRXHKKNUAQR-UHFFFAOYSA-N -1 0 311.772 -0.008 20 0 DBADRM CC[C@H]1C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCO1 ZINC000800550091 804825295 /nfs/dbraw/zinc/82/52/95/804825295.db2.gz BUBPEKFNKQMRFB-UWVGGRQHSA-N -1 0 306.384 -0.226 20 0 DBADRM CC[C@H]1C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCO1 ZINC000800550095 804825832 /nfs/dbraw/zinc/82/58/32/804825832.db2.gz BUBPEKFNKQMRFB-ZJUUUORDSA-N -1 0 306.384 -0.226 20 0 DBADRM Cc1c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cnn1C(C)C ZINC000800550882 804825864 /nfs/dbraw/zinc/82/58/64/804825864.db2.gz ZKRFXLGUZNTLFS-UHFFFAOYSA-N -1 0 316.383 -0.032 20 0 DBADRM Cn1cc(/C=C/C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC000800552562 804826150 /nfs/dbraw/zinc/82/61/50/804826150.db2.gz YPSCMJCIWDKBLH-ONEGZZNKSA-N -1 0 300.340 -0.985 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C(=O)c1ccc(F)cc1 ZINC000800552230 804826312 /nfs/dbraw/zinc/82/63/12/804826312.db2.gz OLKXWIXSRUEORL-UHFFFAOYSA-N -1 0 316.310 -0.410 20 0 DBADRM COCc1nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cs1 ZINC000800553068 804826583 /nfs/dbraw/zinc/82/65/83/804826583.db2.gz HRZTZPGGPNLYKO-UHFFFAOYSA-N -1 0 321.380 -0.515 20 0 DBADRM COc1ccc(O)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800552871 804826808 /nfs/dbraw/zinc/82/68/08/804826808.db2.gz FPOGHFPVFFMALN-UHFFFAOYSA-N -1 0 316.335 -0.404 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H]3COC[C@H](C2)O3)c[nH]1 ZINC000800817792 804828551 /nfs/dbraw/zinc/82/85/51/804828551.db2.gz ZIZZUMRJKHPXRJ-OCAPTIKFSA-N -1 0 302.308 -0.499 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1ccnn1 ZINC000802155120 804842294 /nfs/dbraw/zinc/84/22/94/804842294.db2.gz MMNXRTHMGGPDSW-DTWKUNHWSA-N -1 0 318.355 -0.688 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CN(C)C(C)=O ZINC000802154409 804842315 /nfs/dbraw/zinc/84/23/15/804842315.db2.gz HODITFSRZXPWIH-YUMQZZPRSA-N -1 0 308.356 -0.892 20 0 DBADRM Cc1cc(COCC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)on1 ZINC000802083787 804842422 /nfs/dbraw/zinc/84/24/22/804842422.db2.gz QJJZXHOSQQSHDH-JTQLQIEISA-N -1 0 304.324 -0.265 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCNC(=O)C1 ZINC000802159409 804842767 /nfs/dbraw/zinc/84/27/67/804842767.db2.gz BYJOTMQSQHMHIV-VGMNWLOBSA-N -1 0 320.367 -0.844 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CN(C)C(C)=O ZINC000802154407 804842771 /nfs/dbraw/zinc/84/27/71/804842771.db2.gz HODITFSRZXPWIH-JGVFFNPUSA-N -1 0 308.356 -0.892 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnnn1C ZINC000802162978 804842778 /nfs/dbraw/zinc/84/27/78/804842778.db2.gz FHTACBLLBQZAFV-BQBZGAKWSA-N -1 0 304.328 -0.928 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnnn1C ZINC000802162981 804842788 /nfs/dbraw/zinc/84/27/88/804842788.db2.gz FHTACBLLBQZAFV-NKWVEPMBSA-N -1 0 304.328 -0.928 20 0 DBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC ZINC000802157697 804842963 /nfs/dbraw/zinc/84/29/63/804842963.db2.gz MKVIBGBOFPAUKT-YIZRAAEISA-N -1 0 323.367 -0.171 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccnc2c1nnn2C ZINC000802108739 804842983 /nfs/dbraw/zinc/84/29/83/804842983.db2.gz VFEKVVTZMKMWTK-UHFFFAOYSA-N -1 0 312.355 -0.320 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1COCCO1 ZINC000802165196 804843323 /nfs/dbraw/zinc/84/33/23/804843323.db2.gz RCNKZZXPJXLOLI-IWSPIJDZSA-N -1 0 309.340 -0.955 20 0 DBADRM Cc1cc(=O)c(COC(=O)Cn2ccc(=O)n(C)c2=O)n[n-]1 ZINC000802172584 804843402 /nfs/dbraw/zinc/84/34/02/804843402.db2.gz JNBYZENETOVUQK-UHFFFAOYSA-N -1 0 306.278 -0.906 20 0 DBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000802207452 804844602 /nfs/dbraw/zinc/84/46/02/804844602.db2.gz XHNBIHVWZRKUJR-UHFFFAOYSA-N -1 0 317.367 -0.313 20 0 DBADRM O=C(CC1OCCO1)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000802790639 804847672 /nfs/dbraw/zinc/84/76/72/804847672.db2.gz LLUCMXZXSLEOLJ-UHFFFAOYSA-N -1 0 301.324 -0.603 20 0 DBADRM Cc1ccsc1S(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC000802869389 804848310 /nfs/dbraw/zinc/84/83/10/804848310.db2.gz WSUKZTZSHBJPIO-UHFFFAOYSA-N -1 0 316.364 -0.543 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)o1 ZINC000803006158 804848884 /nfs/dbraw/zinc/84/88/84/804848884.db2.gz URTRPUDNHKFACY-QMMMGPOBSA-N -1 0 316.335 -0.135 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000803003003 804849183 /nfs/dbraw/zinc/84/91/83/804849183.db2.gz QPRRZQFCEZANAP-LPEHRKFASA-N -1 0 305.352 -0.332 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)CCc1scnc1C ZINC000803026051 804849574 /nfs/dbraw/zinc/84/95/74/804849574.db2.gz AJICGUIIPCYZMQ-QMMMGPOBSA-N -1 0 319.408 -0.035 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1nnc(N)o1 ZINC000803124132 804849900 /nfs/dbraw/zinc/84/99/00/804849900.db2.gz UZJAQFOEOPYLDT-LURJTMIESA-N -1 0 309.248 -0.029 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCOC[C@H]1CCOC1 ZINC000804933438 804875153 /nfs/dbraw/zinc/87/51/53/804875153.db2.gz VYBVHDZXCKZBFX-JTQLQIEISA-N -1 0 306.384 -0.434 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC/C=C/CNC(=O)C1CC1 ZINC001285449938 804886820 /nfs/dbraw/zinc/88/68/20/804886820.db2.gz FLWQZNHHQWEOGY-OWOJBTEDSA-N -1 0 323.353 -0.332 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)C2=COCCO2)c1[O-] ZINC001285466759 804889943 /nfs/dbraw/zinc/88/99/43/804889943.db2.gz RAZAKXNBYDFLAV-NSCUHMNNSA-N -1 0 322.321 -0.286 20 0 DBADRM C[C@H](C(=O)NC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001285509823 804902558 /nfs/dbraw/zinc/90/25/58/804902558.db2.gz AGWUIEOPXJZAHF-HPOULIHZSA-N -1 0 323.353 -0.476 20 0 DBADRM C[C@@H](C(=O)NC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001285509825 804902564 /nfs/dbraw/zinc/90/25/64/804902564.db2.gz AGWUIEOPXJZAHF-PKRMOACSSA-N -1 0 323.353 -0.476 20 0 DBADRM CCOC(=O)C(C)(C)CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000805914830 804904856 /nfs/dbraw/zinc/90/48/56/804904856.db2.gz BGHUKUVKNLUKGN-QMMMGPOBSA-N -1 0 323.367 -0.027 20 0 DBADRM O=C(COCc1cccnc1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000805881942 804905212 /nfs/dbraw/zinc/90/52/12/804905212.db2.gz MPXLASRLBKSOJC-LLVKDONJSA-N -1 0 300.336 -0.167 20 0 DBADRM COc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c(C)c1OC ZINC000805915591 804905499 /nfs/dbraw/zinc/90/54/99/804905499.db2.gz IKSPOCGMJPHQKH-UHFFFAOYSA-N -1 0 316.335 -0.443 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000806029850 804909744 /nfs/dbraw/zinc/90/97/44/804909744.db2.gz SUCFMUZENIGVOT-QMMMGPOBSA-N -1 0 310.397 -0.591 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000806178100 804911026 /nfs/dbraw/zinc/91/10/26/804911026.db2.gz OTNYKAFAOIPHBY-GHMZBOCLSA-N -1 0 315.370 -0.556 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)[C@H]2CCCC23OCCO3)n[n-]1 ZINC000806696686 804922798 /nfs/dbraw/zinc/92/27/98/804922798.db2.gz DTBSJVVUQXZEEP-SSDOTTSWSA-N -1 0 316.339 -0.310 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCOC[C@@H]1OCC ZINC000807126050 804931399 /nfs/dbraw/zinc/93/13/99/804931399.db2.gz VHDDNHFWLWBINU-QWRGUYRKSA-N -1 0 304.343 -0.619 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)[N-]OCCSC ZINC000807131490 804931523 /nfs/dbraw/zinc/93/15/23/804931523.db2.gz UETAJITUCOUMLN-VHSXEESVSA-N -1 0 306.384 -0.293 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1cc(C(N)=O)ccc1F ZINC000807436509 804936266 /nfs/dbraw/zinc/93/62/66/804936266.db2.gz RUYYAZUAIIWENI-UHFFFAOYSA-N -1 0 313.285 -0.053 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1ccc(NC(C)=O)nc1 ZINC000807886217 804940321 /nfs/dbraw/zinc/94/03/21/804940321.db2.gz NSPFGZLIAUCEIU-UHFFFAOYSA-N -1 0 324.337 -0.260 20 0 DBADRM COCCCO[N-]C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000807772460 804940635 /nfs/dbraw/zinc/94/06/35/804940635.db2.gz NCTQUARXAGEJON-UHFFFAOYSA-N -1 0 318.351 -0.203 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CC=CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001285677597 804941479 /nfs/dbraw/zinc/94/14/79/804941479.db2.gz KSZJLNUWYHOONL-NXEZZACHSA-N -1 0 323.353 -0.334 20 0 DBADRM O=C([C@@H](O)c1ccccc1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000807992843 804945385 /nfs/dbraw/zinc/94/53/85/804945385.db2.gz LZKXEYDBPJQKPB-NSHDSACASA-N -1 0 303.322 -0.257 20 0 DBADRM C/C=C(/C)C(=O)NC[C@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001285750732 804958833 /nfs/dbraw/zinc/95/88/33/804958833.db2.gz AGULQBKPWSAPEC-OTOXVQDCSA-N -1 0 323.353 -0.198 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CCO1 ZINC000808776860 804965458 /nfs/dbraw/zinc/96/54/58/804965458.db2.gz DQXFYPTXXGTGOY-MNOVXSKESA-N -1 0 309.370 -0.063 20 0 DBADRM COCCn1cc(CNC(=O)C(=O)[N-]OCCSC)cn1 ZINC000808831685 804965675 /nfs/dbraw/zinc/96/56/75/804965675.db2.gz FFPFUVZBXUUGKF-UHFFFAOYSA-N -1 0 316.383 -0.444 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)C=C1CCC1 ZINC001285774399 804965778 /nfs/dbraw/zinc/96/57/78/804965778.db2.gz UTNNLLADXWYSQC-VIFPVBQESA-N -1 0 323.353 -0.237 20 0 DBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1c(C)c(C)nn1C ZINC000808966671 804966884 /nfs/dbraw/zinc/96/68/84/804966884.db2.gz SLIJKIUIAYJPHZ-UHFFFAOYSA-N -1 0 312.326 -0.024 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nn1 ZINC000809000584 804967517 /nfs/dbraw/zinc/96/75/17/804967517.db2.gz RMSYROZFGLERSR-RQJHMYQMSA-N -1 0 304.328 -0.928 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1cnn(CCF)c1 ZINC000808995006 804967685 /nfs/dbraw/zinc/96/76/85/804967685.db2.gz ISCAITQJVHWNLJ-SECBINFHSA-N -1 0 305.331 -0.051 20 0 DBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000809036387 804970374 /nfs/dbraw/zinc/97/03/74/804970374.db2.gz WKCYMBVBVQAFEE-JTQLQIEISA-N -1 0 319.383 -0.025 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCC[C@@H]1C(=O)NC ZINC000809239631 804970675 /nfs/dbraw/zinc/97/06/75/804970675.db2.gz NUULNMRCCAYATO-VHSXEESVSA-N -1 0 301.343 -0.898 20 0 DBADRM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)[N-]OCCOC)C1 ZINC000809232278 804971096 /nfs/dbraw/zinc/97/10/96/804971096.db2.gz IWJIBAZHFPIWTE-FLCAKIMKSA-N -1 0 320.411 -0.123 20 0 DBADRM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C(=O)[N-]OCCOC)C1 ZINC000809232280 804971234 /nfs/dbraw/zinc/97/12/34/804971234.db2.gz IWJIBAZHFPIWTE-NNOLRYQLSA-N -1 0 320.411 -0.123 20 0 DBADRM CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)[N-]OCCSC ZINC000809239696 804971239 /nfs/dbraw/zinc/97/12/39/804971239.db2.gz OMKGZTVVDUQVPZ-DTWKUNHWSA-N -1 0 303.384 -0.572 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H](COC)[C@H]1CCCO1 ZINC000809453725 804976748 /nfs/dbraw/zinc/97/67/48/804976748.db2.gz OSAIGMVDNSWZOU-GHMZBOCLSA-N -1 0 304.343 -0.619 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000809441065 804976898 /nfs/dbraw/zinc/97/68/98/804976898.db2.gz PRQHPWSISPFTFX-ZJUUUORDSA-N -1 0 305.400 -0.768 20 0 DBADRM COC[C@H](NC(=O)C(=O)[N-]OC1CCOCC1)[C@@H]1CCCO1 ZINC000809454158 804977840 /nfs/dbraw/zinc/97/78/40/804977840.db2.gz YXVKGFATWHRNCC-RYUDHWBXSA-N -1 0 316.354 -0.477 20 0 DBADRM CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000809838270 804983134 /nfs/dbraw/zinc/98/31/34/804983134.db2.gz UIGWVUXTSIOUHO-QMMMGPOBSA-N -1 0 312.269 -0.511 20 0 DBADRM CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000809838269 804983187 /nfs/dbraw/zinc/98/31/87/804983187.db2.gz UIGWVUXTSIOUHO-MRVPVSSYSA-N -1 0 312.269 -0.511 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@]1(C)CCOC1=O ZINC000810103808 804990193 /nfs/dbraw/zinc/99/01/93/804990193.db2.gz SJLBMZYWSZRZNK-JTQLQIEISA-N -1 0 320.348 -0.086 20 0 DBADRM COc1cc(F)c(F)cc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000810402520 804993989 /nfs/dbraw/zinc/99/39/89/804993989.db2.gz KJMIAFZLAXFFHV-UHFFFAOYSA-N -1 0 303.221 -0.555 20 0 DBADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1ncn(C)n1 ZINC000810522449 804995244 /nfs/dbraw/zinc/99/52/44/804995244.db2.gz YLOBGBXFJHXAQL-UHFFFAOYSA-N -1 0 309.351 -0.078 20 0 DBADRM COc1cccnc1CC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000810522454 804995509 /nfs/dbraw/zinc/99/55/09/804995509.db2.gz YSPNIRRRENOSBY-UHFFFAOYSA-N -1 0 310.335 -0.129 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)C(=O)NC3(CO)CCCC3)ccnc1-2 ZINC000810417354 804996001 /nfs/dbraw/zinc/99/60/01/804996001.db2.gz HQFLCHMAGGXQGQ-UHFFFAOYSA-N -1 0 317.349 -0.298 20 0 DBADRM COCC1(C(=O)[N-]S(=O)(=O)N2CCOCC2)CCOCC1 ZINC000810597530 804996444 /nfs/dbraw/zinc/99/64/44/804996444.db2.gz CKTILIORSXIHDF-UHFFFAOYSA-N -1 0 322.383 -0.877 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)Cc1ccc(Cl)c(F)c1 ZINC000810668461 804996465 /nfs/dbraw/zinc/99/64/65/804996465.db2.gz RCPMNGVLLKMNHK-UHFFFAOYSA-N -1 0 308.718 -0.047 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)Cc1cccc(OCC(=O)NC)c1 ZINC000810580538 804996535 /nfs/dbraw/zinc/99/65/35/804996535.db2.gz SVQAXAZUXSUKAE-UHFFFAOYSA-N -1 0 314.363 -0.180 20 0 DBADRM COc1cccnc1CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000810584868 804996684 /nfs/dbraw/zinc/99/66/84/804996684.db2.gz HPZXXIBGNPGKMY-VIFPVBQESA-N -1 0 300.336 -0.132 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1nnc2ccccc2n1 ZINC000810597597 804997268 /nfs/dbraw/zinc/99/72/68/804997268.db2.gz GINQQIHXBAYEGZ-UHFFFAOYSA-N -1 0 323.334 -0.668 20 0 DBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)n1 ZINC000810702398 804998118 /nfs/dbraw/zinc/99/81/18/804998118.db2.gz YTAJRXXUZRCYDR-UHFFFAOYSA-N -1 0 320.281 -0.605 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1nnc2ccccc2n1 ZINC000810671568 804998358 /nfs/dbraw/zinc/99/83/58/804998358.db2.gz SXFHTCYAIGMRHY-SSDOTTSWSA-N -1 0 324.318 -0.354 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCO2 ZINC000810829202 805000312 /nfs/dbraw/zinc/00/03/12/805000312.db2.gz FZXJHJFQIBHOEM-UHFFFAOYSA-N -1 0 313.295 -0.727 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000810829559 805000459 /nfs/dbraw/zinc/00/04/59/805000459.db2.gz CLFXBKIUFYBFKU-RXMQYKEDSA-N -1 0 305.312 -0.431 20 0 DBADRM CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000810832171 805000677 /nfs/dbraw/zinc/00/06/77/805000677.db2.gz GVFUJJCEMIUHOE-UHFFFAOYSA-N -1 0 313.339 -0.020 20 0 DBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000810832801 805000733 /nfs/dbraw/zinc/00/07/33/805000733.db2.gz SWAJJJHDDVNRQB-MRVPVSSYSA-N -1 0 321.355 -0.188 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cccn(C)c1=O ZINC000810828985 805000895 /nfs/dbraw/zinc/00/08/95/805000895.db2.gz VFUSMYGBOVBIMC-UHFFFAOYSA-N -1 0 312.307 -0.617 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)[N-]OCC(F)F ZINC000811052999 805004143 /nfs/dbraw/zinc/00/41/43/805004143.db2.gz FVZRWACNTUOWJF-UHFFFAOYSA-N -1 0 313.282 -0.117 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)C1CN(C(C)=O)C1 ZINC000811136653 805004653 /nfs/dbraw/zinc/00/46/53/805004653.db2.gz HOFSICJOBUZATL-UHFFFAOYSA-N -1 0 320.367 -0.890 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cc(C)nn1C ZINC000811136427 805004806 /nfs/dbraw/zinc/00/48/06/805004806.db2.gz GYYZGMGIGCBWKW-UHFFFAOYSA-N -1 0 317.367 -0.013 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cnn(C)c1 ZINC000811142493 805005062 /nfs/dbraw/zinc/00/50/62/805005062.db2.gz JUNHAMDJDYWRHJ-UHFFFAOYSA-N -1 0 303.340 -0.321 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@H]1COCCO1 ZINC000811143606 805005490 /nfs/dbraw/zinc/00/54/90/805005490.db2.gz XMRKKAHOOMPVSW-MRVPVSSYSA-N -1 0 309.340 -0.953 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)CC1 ZINC000811153916 805005779 /nfs/dbraw/zinc/00/57/79/805005779.db2.gz OERANMCVCDVWOX-UHFFFAOYSA-N -1 0 300.336 -0.527 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC(=O)N2)CC1 ZINC000811159286 805005943 /nfs/dbraw/zinc/00/59/43/805005943.db2.gz PSJSTUFHIULBRJ-SECBINFHSA-N -1 0 304.368 -0.330 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)CN(C)C(=O)C2CC2)CC1 ZINC000811155345 805005966 /nfs/dbraw/zinc/00/59/66/805005966.db2.gz UMQJEBSVMWQADF-UHFFFAOYSA-N -1 0 304.368 -0.520 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)CN2CCSC2=O)CC1 ZINC000811157538 805006073 /nfs/dbraw/zinc/00/60/73/805006073.db2.gz LOLJKMMCCJFGOB-UHFFFAOYSA-N -1 0 308.381 -0.220 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@@H]1COCCN1CC(F)F ZINC000811562193 805011625 /nfs/dbraw/zinc/01/16/25/805011625.db2.gz MBYNKMILFAHPLG-VIFPVBQESA-N -1 0 310.297 -0.047 20 0 DBADRM Cn1c2cc(O)c(NC(=O)c3cc(=O)[nH][n-]3)cc2n(C)c1=O ZINC000812383840 805017190 /nfs/dbraw/zinc/01/71/90/805017190.db2.gz BGYRSMFCDKBDRZ-UHFFFAOYSA-N -1 0 303.278 -0.603 20 0 DBADRM O=C(NC[C@H]1CCCN(C(=O)c2cc(=O)[nH][n-]2)C1)C(F)(F)F ZINC000812276086 805017325 /nfs/dbraw/zinc/01/73/25/805017325.db2.gz HRYJSQDKFVTMDL-SSDOTTSWSA-N -1 0 320.271 -0.221 20 0 DBADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000812447157 805019614 /nfs/dbraw/zinc/01/96/14/805019614.db2.gz HEMABXSKKFIXGF-VIFPVBQESA-N -1 0 306.340 -0.771 20 0 DBADRM COCC[C@@H]1COCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000812742919 805020966 /nfs/dbraw/zinc/02/09/66/805020966.db2.gz OWRKAOWNEJGZHU-SNVBAGLBSA-N -1 0 321.337 -0.665 20 0 DBADRM CC(C)OCCO[N-]C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000812802819 805022041 /nfs/dbraw/zinc/02/20/41/805022041.db2.gz JLMWMKXMWZYWNJ-LLVKDONJSA-N -1 0 308.400 -0.422 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(CO)c1 ZINC000813533843 805028971 /nfs/dbraw/zinc/02/89/71/805028971.db2.gz BLXOGRRISPSHCX-UHFFFAOYSA-N -1 0 300.336 -0.625 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C2=CCCC2)CC1 ZINC000813945863 805035952 /nfs/dbraw/zinc/03/59/52/805035952.db2.gz PQJRFNKYAYHTIL-UHFFFAOYSA-N -1 0 301.368 -0.378 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cccn2C)CC1 ZINC000813946665 805035999 /nfs/dbraw/zinc/03/59/99/805035999.db2.gz IDZVVIRHAUWSKP-UHFFFAOYSA-N -1 0 314.367 -0.836 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)C2CC2)CC1 ZINC000813945194 805036042 /nfs/dbraw/zinc/03/60/42/805036042.db2.gz FAYCTHPQSHSUBT-VIFPVBQESA-N -1 0 303.384 -0.442 20 0 DBADRM CCOCCCC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813946394 805036181 /nfs/dbraw/zinc/03/61/81/805036181.db2.gz YMJVZKXLKKPTBR-UHFFFAOYSA-N -1 0 321.399 -0.672 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)C)CC1 ZINC000813946392 805036235 /nfs/dbraw/zinc/03/62/35/805036235.db2.gz YLLKFMSVLHOHDA-JTQLQIEISA-N -1 0 305.400 -0.196 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2occc2C)CC1 ZINC000813949859 805036555 /nfs/dbraw/zinc/03/65/55/805036555.db2.gz DSKPJQAJRZBXOP-UHFFFAOYSA-N -1 0 315.351 -0.273 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccco2)CC1 ZINC000813947218 805036672 /nfs/dbraw/zinc/03/66/72/805036672.db2.gz COPFEBWRPLIJBC-UHFFFAOYSA-N -1 0 301.324 -0.582 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ncoc2C)CC1 ZINC000813947820 805036800 /nfs/dbraw/zinc/03/68/00/805036800.db2.gz ZPEBOWAIPOQEHL-UHFFFAOYSA-N -1 0 316.339 -0.878 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)/C=C\c2cnn(C)c2)cnn1C ZINC000813955353 805037571 /nfs/dbraw/zinc/03/75/71/805037571.db2.gz DPLCHBVPMHLXNX-PLNGDYQASA-N -1 0 309.351 -0.020 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2cccn(C)c2=O)cnn1C ZINC000813956222 805037701 /nfs/dbraw/zinc/03/77/01/805037701.db2.gz LLVJCLQCIHZLES-UHFFFAOYSA-N -1 0 310.335 -0.454 20 0 DBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000813953066 805037739 /nfs/dbraw/zinc/03/77/39/805037739.db2.gz POPNZSUZFKFVRW-ZETCQYMHSA-N -1 0 303.340 -0.267 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)COC[C@H]2CCCO2)cnn1C ZINC000813956861 805037780 /nfs/dbraw/zinc/03/77/80/805037780.db2.gz SLXHBLHFWJGRIY-SNVBAGLBSA-N -1 0 317.367 -0.271 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)cnn1C ZINC000813952502 805037833 /nfs/dbraw/zinc/03/78/33/805037833.db2.gz JRULBZMJAJBKQY-UHFFFAOYSA-N -1 0 310.335 -0.605 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)CN2CCSC2=O)cnn1C ZINC000813955103 805037943 /nfs/dbraw/zinc/03/79/43/805037943.db2.gz AMZRLAUXHLZMBT-UHFFFAOYSA-N -1 0 318.380 -0.298 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000813953257 805038009 /nfs/dbraw/zinc/03/80/09/805038009.db2.gz RCFDOGKYOWROBW-ZETCQYMHSA-N -1 0 302.356 -0.552 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1coc(C(N)=O)c1 ZINC000813988010 805038539 /nfs/dbraw/zinc/03/85/39/805038539.db2.gz AOPLLQYOFYJPLG-UHFFFAOYSA-N -1 0 312.307 -0.461 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CN1CCSC1=O ZINC000813990311 805038866 /nfs/dbraw/zinc/03/88/66/805038866.db2.gz HKFBQBBMRFINQB-UHFFFAOYSA-N -1 0 318.380 -0.298 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)Cc2cn(C)nc2Cl)cn1 ZINC000815900268 805060330 /nfs/dbraw/zinc/06/03/30/805060330.db2.gz WIICTEPOBKSQJH-UHFFFAOYSA-N -1 0 317.758 -0.145 20 0 DBADRM Cn1cc(Br)c(C(=O)[N-]N2CC(=O)N(C)C2=O)n1 ZINC000815906752 805061684 /nfs/dbraw/zinc/06/16/84/805061684.db2.gz IGQVHCSAWNLTPJ-UHFFFAOYSA-N -1 0 316.115 -0.279 20 0 DBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c(Cl)n1 ZINC000815948160 805062078 /nfs/dbraw/zinc/06/20/78/805062078.db2.gz ATZKZVPGCMRHKQ-QMMMGPOBSA-N -1 0 307.759 -0.149 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)CCCC(=O)OC)n1 ZINC000815949472 805062265 /nfs/dbraw/zinc/06/22/65/805062265.db2.gz NGMNOGGRVUAOFJ-UHFFFAOYSA-N -1 0 318.355 -0.381 20 0 DBADRM CC(C)CCS(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000815944793 805062910 /nfs/dbraw/zinc/06/29/10/805062910.db2.gz LFMUKXWJMWQYOH-UHFFFAOYSA-N -1 0 304.372 -0.536 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)n1 ZINC000815997842 805063354 /nfs/dbraw/zinc/06/33/54/805063354.db2.gz YFBIUTKDAREWJY-SECBINFHSA-N -1 0 302.356 -0.297 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnnn2C)c[nH]1 ZINC000816034730 805064832 /nfs/dbraw/zinc/06/48/32/805064832.db2.gz NYPYQRBLNYZSGD-UHFFFAOYSA-N -1 0 313.295 -0.952 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CN1CCCCC1=O ZINC000816095170 805065102 /nfs/dbraw/zinc/06/51/02/805065102.db2.gz SVNMSCUENSRKKL-UHFFFAOYSA-N -1 0 314.367 -0.454 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000816069319 805065548 /nfs/dbraw/zinc/06/55/48/805065548.db2.gz GTBBDDXLYGRMPC-UHFFFAOYSA-N -1 0 300.300 -0.705 20 0 DBADRM CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816201411 805066349 /nfs/dbraw/zinc/06/63/49/805066349.db2.gz BKKZXBLSKMPLCT-RKDXNWHRSA-N -1 0 315.351 -0.105 20 0 DBADRM COCCCC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816201642 805066785 /nfs/dbraw/zinc/06/67/85/805066785.db2.gz LILDHKPBNVYRJU-UHFFFAOYSA-N -1 0 303.340 -0.103 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCn1cnnn1 ZINC000816287079 805068507 /nfs/dbraw/zinc/06/85/07/805068507.db2.gz MZQBTNUZHYWLFE-ZETCQYMHSA-N -1 0 308.264 -0.508 20 0 DBADRM CO[C@H]1CCC[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC000816448847 805070164 /nfs/dbraw/zinc/07/01/64/805070164.db2.gz LVFPBUMGGRPSLJ-UWVGGRQHSA-N -1 0 306.384 -0.226 20 0 DBADRM CC(=O)NCCC[C@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001287257124 805070306 /nfs/dbraw/zinc/07/03/06/805070306.db2.gz CQHWOCSLGRUITE-QMMMGPOBSA-N -1 0 311.342 -0.364 20 0 DBADRM CCOC(=O)[C@H]1CSCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000816480438 805070811 /nfs/dbraw/zinc/07/08/11/805070811.db2.gz NFESNOAWIWNLBE-MRVPVSSYSA-N -1 0 313.335 -0.436 20 0 DBADRM CCOC(=O)[C@@H]1CSCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000816480439 805070856 /nfs/dbraw/zinc/07/08/56/805070856.db2.gz NFESNOAWIWNLBE-QMMMGPOBSA-N -1 0 313.335 -0.436 20 0 DBADRM CC1(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)COC1 ZINC000816465400 805070865 /nfs/dbraw/zinc/07/08/65/805070865.db2.gz ZYHVUPRQMZXAPC-VIFPVBQESA-N -1 0 315.351 -0.314 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1n[n-]c2ccccc2c1=O ZINC000816461598 805071422 /nfs/dbraw/zinc/07/14/22/805071422.db2.gz SLSWZIKNQFWUFG-UHFFFAOYSA-N -1 0 318.289 -0.646 20 0 DBADRM C[C@H](CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001287290958 805072534 /nfs/dbraw/zinc/07/25/34/805072534.db2.gz JCLGJQOEOXUOSL-YIZRAAEISA-N -1 0 323.353 -0.047 20 0 DBADRM O=C(CCn1cnc2sccc2c1=O)Nn1c(=O)[n-][nH]c1=O ZINC000816733413 805079404 /nfs/dbraw/zinc/07/94/04/805079404.db2.gz VMCNEOMDCHKGBQ-UHFFFAOYSA-N -1 0 322.306 -0.379 20 0 DBADRM O=C(CN1C(=O)CSc2ccccc21)Nn1c(=O)[n-][nH]c1=O ZINC000816732895 805079718 /nfs/dbraw/zinc/07/97/18/805079718.db2.gz ABRGWVFFBAZTEU-UHFFFAOYSA-N -1 0 321.318 -0.102 20 0 DBADRM O=C(Cn1cccc(C(F)(F)F)c1=O)Nn1c(=O)[n-][nH]c1=O ZINC000816732355 805079820 /nfs/dbraw/zinc/07/98/20/805079820.db2.gz CVYUAKINFHQRLI-UHFFFAOYSA-N -1 0 319.199 -0.360 20 0 DBADRM CCC(CC)[C@@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1CCOCC1 ZINC000816733344 805080057 /nfs/dbraw/zinc/08/00/57/805080057.db2.gz SEMOTNGEWSDQKB-JTQLQIEISA-N -1 0 313.358 -0.104 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000816734151 805080421 /nfs/dbraw/zinc/08/04/21/805080421.db2.gz BBIFXOFYPNRPQE-MRVPVSSYSA-N -1 0 307.266 -0.364 20 0 DBADRM CCn1ncn(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1=O ZINC000816738430 805080491 /nfs/dbraw/zinc/08/04/91/805080491.db2.gz CACWGSLZBJFYJA-UHFFFAOYSA-N -1 0 309.248 -0.408 20 0 DBADRM CCn1ncn([N-]C(=O)c2cn(CC(=O)C(C)(C)C)nn2)c1=O ZINC000816734717 805080628 /nfs/dbraw/zinc/08/06/28/805080628.db2.gz AYHRMIPRHFNGMY-UHFFFAOYSA-N -1 0 321.341 -0.345 20 0 DBADRM Cc1sc2ncc(C(=O)Nn3c(=O)[n-][nH]c3=O)c(=O)n2c1C ZINC000816734001 805080666 /nfs/dbraw/zinc/08/06/66/805080666.db2.gz VQLXQDVWASIOJW-UHFFFAOYSA-N -1 0 322.306 -0.241 20 0 DBADRM CC[C@H](C)CO[N-]C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000816977259 805089665 /nfs/dbraw/zinc/08/96/65/805089665.db2.gz VPYUEDYYOHCWIO-VIFPVBQESA-N -1 0 304.372 -0.208 20 0 DBADRM Cc1cc(CNC(=O)c2cc(=O)[nH][n-]2)nc(N2CCCC2)n1 ZINC000817031886 805089880 /nfs/dbraw/zinc/08/98/80/805089880.db2.gz OQAZVLBOBYNSQF-UHFFFAOYSA-N -1 0 302.338 -0.123 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCCC(=O)OC1CCCCC1 ZINC000817111572 805090594 /nfs/dbraw/zinc/09/05/94/805090594.db2.gz FIRKYMIAIDNOFF-UHFFFAOYSA-N -1 0 314.338 -0.041 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(C(=O)C3CC3)C2)c[nH]1 ZINC000817573005 805094851 /nfs/dbraw/zinc/09/48/51/805094851.db2.gz IIGSCZOMRNQUAK-UHFFFAOYSA-N -1 0 313.335 -0.087 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC=CC1 ZINC001287670960 805100901 /nfs/dbraw/zinc/10/09/01/805100901.db2.gz RRRZJMHFENWTML-MRVPVSSYSA-N -1 0 321.337 -0.174 20 0 DBADRM CCCCCCNC(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000817874856 805102410 /nfs/dbraw/zinc/10/24/10/805102410.db2.gz QWJSZAZXRLCLEQ-NSHDSACASA-N -1 0 320.411 -0.134 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CSC(F)(F)F ZINC000817870739 805102737 /nfs/dbraw/zinc/10/27/37/805102737.db2.gz GCPZDJKWNKMGPP-RXMQYKEDSA-N -1 0 321.298 -0.050 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCO[C@H](C(F)F)C1)C(=O)[O-] ZINC000817900400 805103416 /nfs/dbraw/zinc/10/34/16/805103416.db2.gz MQRJNECQVLRZMZ-SFYZADRCSA-N -1 0 308.281 -0.342 20 0 DBADRM C[C@@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H]1C(=O)[O-] ZINC000818324837 805111275 /nfs/dbraw/zinc/11/12/75/805111275.db2.gz AJXXQDYYDRRPJE-MWLCHTKSSA-N -1 0 309.322 -0.362 20 0 DBADRM CCN1CCO[C@@H](C(=O)N2CCC[C@@]2(COC)C(=O)[O-])C1 ZINC000818313085 805111295 /nfs/dbraw/zinc/11/12/95/805111295.db2.gz WXDFDPIBTSPEJT-BXUZGUMPSA-N -1 0 300.355 -0.201 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CCC[C@]2(COC)C(=O)[O-])C1 ZINC000818313086 805111436 /nfs/dbraw/zinc/11/14/36/805111436.db2.gz WXDFDPIBTSPEJT-FZMZJTMJSA-N -1 0 300.355 -0.201 20 0 DBADRM CCC(CC)(CNC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)[O-] ZINC000818325793 805111539 /nfs/dbraw/zinc/11/15/39/805111539.db2.gz GIMWJZLSYGHEOT-UHFFFAOYSA-N -1 0 311.338 -0.066 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])C[C@H](C)S1 ZINC000884473860 807051351 /nfs/dbraw/zinc/05/13/51/807051351.db2.gz JQAVMQRLRSKTDT-IUCAKERBSA-N -1 0 304.368 -0.444 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000884477736 807051459 /nfs/dbraw/zinc/05/14/59/807051459.db2.gz GNBHDOMTAGKZIU-DTORHVGOSA-N -1 0 302.352 -0.975 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C1 ZINC000884477768 807051750 /nfs/dbraw/zinc/05/17/50/807051750.db2.gz HCBSNPZTSXVDIN-ZNSALQAWSA-N -1 0 308.334 -0.541 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000884478380 807051851 /nfs/dbraw/zinc/05/18/51/807051851.db2.gz ZFNOOUFGJVIYBH-ZJUUUORDSA-N -1 0 316.379 -0.585 20 0 DBADRM COc1cncc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)c1 ZINC000819094304 805121096 /nfs/dbraw/zinc/12/10/96/805121096.db2.gz JMMFSPLGSLKMJR-LLVKDONJSA-N -1 0 302.308 -0.700 20 0 DBADRM O=C([O-])C[C@@]1(NS(=O)(=O)C[C@H]2CCOC2)CCCOC1 ZINC000819107897 805122118 /nfs/dbraw/zinc/12/21/18/805122118.db2.gz QNBPKMKNRHYNTK-JQWIXIFHSA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])C[C@]1(NS(=O)(=O)C[C@H]2CCOC2)CCCOC1 ZINC000819107896 805122228 /nfs/dbraw/zinc/12/22/28/805122228.db2.gz QNBPKMKNRHYNTK-CMPLNLGQSA-N -1 0 307.368 -0.034 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cc2c(cn1)OCCO2 ZINC000820053577 805142231 /nfs/dbraw/zinc/14/22/31/805142231.db2.gz YLQIXJYCVUMIOC-UHFFFAOYSA-N -1 0 302.308 -0.441 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001287886630 805142803 /nfs/dbraw/zinc/14/28/03/805142803.db2.gz MZSKSBCLNMAASG-PSVJHUJZSA-N -1 0 323.353 -0.239 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2c(cn1)OCCO2 ZINC000820067397 805143536 /nfs/dbraw/zinc/14/35/36/805143536.db2.gz DIXIKBJMKGEAHH-MRVPVSSYSA-N -1 0 316.335 -0.053 20 0 DBADRM NC(=O)N[C@@H](CC(=O)Nn1c(=O)[n-][nH]c1=O)c1cccs1 ZINC000820287732 805151864 /nfs/dbraw/zinc/15/18/64/805151864.db2.gz BWNPWTIOMAGHFD-YFKPBYRVSA-N -1 0 312.311 -0.379 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000820292186 805153323 /nfs/dbraw/zinc/15/33/23/805153323.db2.gz QSVDVWIHMHKBJN-SCSAIBSYSA-N -1 0 309.204 -0.830 20 0 DBADRM CCn1ncn([N-]C(=O)c2nc3nc(C)cc(C)n3n2)c1=O ZINC000820388319 805153980 /nfs/dbraw/zinc/15/39/80/805153980.db2.gz NHRACQMVGWRNPK-UHFFFAOYSA-N -1 0 302.298 -0.497 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1C ZINC000820677800 805163972 /nfs/dbraw/zinc/16/39/72/805163972.db2.gz RWSBHTIUFDPYFE-MRVPVSSYSA-N -1 0 323.305 -0.317 20 0 DBADRM Cn1nccc1C(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1 ZINC000821589115 805185437 /nfs/dbraw/zinc/18/54/37/805185437.db2.gz XXSUXTPYSXIVHW-UHFFFAOYSA-N -1 0 306.307 -0.190 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]1CCCO1 ZINC000821598705 805186868 /nfs/dbraw/zinc/18/68/68/805186868.db2.gz PATGPHRRHBOQNI-ZJUUUORDSA-N -1 0 323.367 -0.420 20 0 DBADRM COc1ccc(CC(=O)[N-]S(=O)(=O)c2cnccn2)nc1 ZINC000821626477 805186909 /nfs/dbraw/zinc/18/69/09/805186909.db2.gz PFPIIMAWZVURLJ-UHFFFAOYSA-N -1 0 308.319 -0.072 20 0 DBADRM COc1cc(C(=O)NCC(=O)NCC(=O)[O-])cc2c1OCCO2 ZINC000821744038 805190282 /nfs/dbraw/zinc/19/02/82/805190282.db2.gz JIDSVLNDKVAYAP-UHFFFAOYSA-N -1 0 324.289 -0.603 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2COCCO2)c1 ZINC000822893886 805216755 /nfs/dbraw/zinc/21/67/55/805216755.db2.gz LRFZKCSAOCWYEX-QMMMGPOBSA-N -1 0 316.335 -0.815 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccc(O)c(F)c1 ZINC000823132086 805225164 /nfs/dbraw/zinc/22/51/64/805225164.db2.gz YYPFRMIYAUXWIU-UHFFFAOYSA-N -1 0 318.272 -0.381 20 0 DBADRM C[C@H](C(=O)N1CCOC[C@H]1c1nnn[n-]1)N(C)CC(F)(F)F ZINC000823646284 805236897 /nfs/dbraw/zinc/23/68/97/805236897.db2.gz HGBIMEGPMBWIPM-SFYZADRCSA-N -1 0 322.291 -0.018 20 0 DBADRM Cn1[nH]c(C(C)(C)C)cc1=NC(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC000823659741 805236999 /nfs/dbraw/zinc/23/69/99/805236999.db2.gz QGRCLPAEMQWQLV-JTQLQIEISA-N -1 0 324.381 -0.137 20 0 DBADRM COc1ccc(C(=O)NCCNC(=O)CCc2nnn[n-]2)cc1 ZINC001291739969 805263272 /nfs/dbraw/zinc/26/32/72/805263272.db2.gz ZTDGEJMTFMREIP-UHFFFAOYSA-N -1 0 318.337 -0.313 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H](CN(C)c2cccnn2)C1 ZINC000825177148 805272893 /nfs/dbraw/zinc/27/28/93/805272893.db2.gz HGYBAAVCCLDIHY-QWRGUYRKSA-N -1 0 323.353 -0.204 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2COC(C)(C)O2)c1=O ZINC000825796343 805285549 /nfs/dbraw/zinc/28/55/49/805285549.db2.gz CSWBGDQWJORYPL-MRVPVSSYSA-N -1 0 322.325 -0.639 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCCn2ccnc2)c1=O ZINC000825796406 805286380 /nfs/dbraw/zinc/28/63/80/805286380.db2.gz FJPKDUILYLVHPC-UHFFFAOYSA-N -1 0 316.325 -0.503 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cnoc2C)c1=O ZINC000825799520 805286407 /nfs/dbraw/zinc/28/64/07/805286407.db2.gz NJHGDNIENLKGIE-UHFFFAOYSA-N -1 0 303.282 -0.445 20 0 DBADRM CCCSCC(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001292540173 805288634 /nfs/dbraw/zinc/28/86/34/805288634.db2.gz UQRYJOFUPJBGTA-UHFFFAOYSA-N -1 0 317.371 -0.935 20 0 DBADRM O=C([N-]S(=O)(=O)CC(F)(F)F)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826449987 805310912 /nfs/dbraw/zinc/31/09/12/805310912.db2.gz RSVSHVBFNMEZSH-UHFFFAOYSA-N -1 0 324.244 -0.183 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@H]2CCOC[C@@H]2C)c1[O-] ZINC001292642913 805312094 /nfs/dbraw/zinc/31/20/94/805312094.db2.gz COQYYVHGQWQYNS-WPRPVWTQSA-N -1 0 310.354 -0.058 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000827039140 805325578 /nfs/dbraw/zinc/32/55/78/805325578.db2.gz IFKBSBUEDRNPKN-UHFFFAOYSA-N -1 0 314.323 -0.403 20 0 DBADRM C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)CCN2CCOCC2)CC1 ZINC000827362448 805336279 /nfs/dbraw/zinc/33/62/79/805336279.db2.gz OFKFTPZTLFNKON-CYBMUJFWSA-N -1 0 313.398 -0.284 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)[C@@H]1CCCC12CC2 ZINC001292925453 805358888 /nfs/dbraw/zinc/35/88/88/805358888.db2.gz HSFJHYPWIRZDGR-VIFPVBQESA-N -1 0 323.353 -0.498 20 0 DBADRM C[C@@H]1CC(=O)NCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000828150411 805366087 /nfs/dbraw/zinc/36/60/87/805366087.db2.gz QDLWSKCIJOLOHA-SECBINFHSA-N -1 0 319.383 -0.762 20 0 DBADRM Cc1cnc2c(C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)cnn2c1 ZINC001292975599 805367661 /nfs/dbraw/zinc/36/76/61/805367661.db2.gz FCYFQDHZYLSYLZ-SNVBAGLBSA-N -1 0 314.309 -0.235 20 0 DBADRM CN(CCNC(=O)CCC[C@]1(C)NC(=O)NC1=O)C(=O)[O-] ZINC000828321475 805372694 /nfs/dbraw/zinc/37/26/94/805372694.db2.gz SKWQTHFBKLHLHR-LBPRGKRZSA-N -1 0 300.315 -0.519 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)n1 ZINC000828552571 805376987 /nfs/dbraw/zinc/37/69/87/805376987.db2.gz UCOONXXWUSYZDG-YUMQZZPRSA-N -1 0 310.314 -0.601 20 0 DBADRM CC[C@](C)(CC(=O)[O-])NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000828634698 805379736 /nfs/dbraw/zinc/37/97/36/805379736.db2.gz XLLNWEZKDSGCNO-CQSZACIVSA-N -1 0 321.337 -0.110 20 0 DBADRM CC(C)CCC(=O)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001293129187 805386872 /nfs/dbraw/zinc/38/68/72/805386872.db2.gz NYWCGCXQNSEEFG-UHFFFAOYSA-N -1 0 313.358 -0.252 20 0 DBADRM CCCC(=O)N1CCC[C@H]1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000829177108 805390005 /nfs/dbraw/zinc/39/00/05/805390005.db2.gz HYEBQJDCYLSTMM-ZJUUUORDSA-N -1 0 314.338 -0.090 20 0 DBADRM CCS(=O)(=O)CCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC000829211954 805391159 /nfs/dbraw/zinc/39/11/59/805391159.db2.gz IRMDMRNYGVSINC-UHFFFAOYSA-N -1 0 322.364 -0.507 20 0 DBADRM CCS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000829211842 805391186 /nfs/dbraw/zinc/39/11/86/805391186.db2.gz HFTPVMYKWZHXRN-UHFFFAOYSA-N -1 0 322.364 -0.507 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NCCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001293190874 805396345 /nfs/dbraw/zinc/39/63/45/805396345.db2.gz JZSZGDRFXYWDGW-DTWKUNHWSA-N -1 0 324.337 -0.531 20 0 DBADRM CCn1nc(C)c(CNS(=O)(=O)N(C)CCC(=O)[O-])n1 ZINC000829706987 805399253 /nfs/dbraw/zinc/39/92/53/805399253.db2.gz SAAJDQJYWLMEAN-UHFFFAOYSA-N -1 0 305.360 -0.653 20 0 DBADRM Cc1ccn(CC(=O)NCCCNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001293242778 805402311 /nfs/dbraw/zinc/40/23/11/805402311.db2.gz DDGFJDLTHIZBOH-UHFFFAOYSA-N -1 0 320.353 -0.135 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cnn(CC3CC3)c2)CCO1 ZINC000829874098 805403754 /nfs/dbraw/zinc/40/37/54/805403754.db2.gz REMFZXUODJHMEO-LLVKDONJSA-N -1 0 315.351 -0.233 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000830017231 805414187 /nfs/dbraw/zinc/41/41/87/805414187.db2.gz IQJKSPBLABTGKE-VHSXEESVSA-N -1 0 322.383 -0.879 20 0 DBADRM CC1(C(=O)NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001293465141 805424635 /nfs/dbraw/zinc/42/46/35/805424635.db2.gz IVNIMBNVOUUVQX-UHFFFAOYSA-N -1 0 309.326 -0.291 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000830789983 805439691 /nfs/dbraw/zinc/43/96/91/805439691.db2.gz LXIJDVKVCTUNLY-QUBYGPBYSA-N -1 0 309.244 -0.236 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@]2(O)CCOC2)C1 ZINC000830795808 805441173 /nfs/dbraw/zinc/44/11/73/805441173.db2.gz QAONKQSABRBLHX-QWRGUYRKSA-N -1 0 310.272 -0.193 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)CC1 ZINC000831038492 805444527 /nfs/dbraw/zinc/44/45/27/805444527.db2.gz HPNVEDLRIFTOCP-QMMMGPOBSA-N -1 0 312.326 -0.487 20 0 DBADRM COC(=O)N1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000831033691 805444801 /nfs/dbraw/zinc/44/48/01/805444801.db2.gz GWXXGCKZKKKXIX-UHFFFAOYSA-N -1 0 315.326 -0.382 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000831016568 805444842 /nfs/dbraw/zinc/44/48/42/805444842.db2.gz QFKFQAHAAQDIKG-UWVGGRQHSA-N -1 0 321.399 -0.322 20 0 DBADRM CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCC(N)=O ZINC000831651571 805460025 /nfs/dbraw/zinc/46/00/25/805460025.db2.gz FKQBZQLHRXMQOU-VIFPVBQESA-N -1 0 319.358 -0.162 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000832049838 805471974 /nfs/dbraw/zinc/47/19/74/805471974.db2.gz KBSPXRUKVIMSAS-NSHDSACASA-N -1 0 321.337 -0.496 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000832735848 805488982 /nfs/dbraw/zinc/48/89/82/805488982.db2.gz LOFGDKRAIPFULS-ZETCQYMHSA-N -1 0 311.260 -0.419 20 0 DBADRM CO[N-]C(=O)CNC(=O)C1(n2cc(Br)cn2)CC1 ZINC000832735841 805489728 /nfs/dbraw/zinc/48/97/28/805489728.db2.gz LLONOTLVMGVJKO-UHFFFAOYSA-N -1 0 317.143 -0.072 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C ZINC000832762270 805490517 /nfs/dbraw/zinc/49/05/17/805490517.db2.gz MKVGXEPNEWDOBV-MRVPVSSYSA-N -1 0 306.322 -0.129 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1 ZINC000832749632 805490551 /nfs/dbraw/zinc/49/05/51/805490551.db2.gz XBQOTYVPGBBJIN-JTQLQIEISA-N -1 0 319.333 -0.015 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1 ZINC000832749633 805490713 /nfs/dbraw/zinc/49/07/13/805490713.db2.gz XBQOTYVPGBBJIN-SNVBAGLBSA-N -1 0 319.333 -0.015 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000832748227 805490848 /nfs/dbraw/zinc/49/08/48/805490848.db2.gz CHRWOYMBKXHGRU-HNNXBMFYSA-N -1 0 305.334 -0.372 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000832769403 805491283 /nfs/dbraw/zinc/49/12/83/805491283.db2.gz GONGWGJXCXDMTQ-JTQLQIEISA-N -1 0 315.395 -0.128 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000832767187 805491617 /nfs/dbraw/zinc/49/16/17/805491617.db2.gz XWKSNOBRCKLNIR-CYBMUJFWSA-N -1 0 307.350 -0.319 20 0 DBADRM CCn1c2ccccc2n(CC(=O)NCC(=O)[N-]OC)c1=O ZINC000832773412 805491813 /nfs/dbraw/zinc/49/18/13/805491813.db2.gz NFEVRNHREITATF-UHFFFAOYSA-N -1 0 306.322 -0.383 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000832776024 805491891 /nfs/dbraw/zinc/49/18/91/805491891.db2.gz BAOJINGANLFHCG-VIFPVBQESA-N -1 0 309.297 -0.028 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCN1c2ccccc2O[C@H](C)C1=O ZINC000832776166 805492927 /nfs/dbraw/zinc/49/29/27/805492927.db2.gz IRNYKPTWMLYTDV-SNVBAGLBSA-N -1 0 321.333 -0.016 20 0 DBADRM O=C(C[C@@H]1CCC(=O)N1)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000832832348 805493783 /nfs/dbraw/zinc/49/37/83/805493783.db2.gz YROQTFFINYAJLA-VIFPVBQESA-N -1 0 302.294 -0.025 20 0 DBADRM O=C(C[C@H]1CCC(=O)N1)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000832832347 805494060 /nfs/dbraw/zinc/49/40/60/805494060.db2.gz YROQTFFINYAJLA-SECBINFHSA-N -1 0 302.294 -0.025 20 0 DBADRM Cn1nnnc1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000833061566 805494149 /nfs/dbraw/zinc/49/41/49/805494149.db2.gz JAXJUYOZVGEXSB-UHFFFAOYSA-N -1 0 316.277 -0.123 20 0 DBADRM C[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000833517469 805495267 /nfs/dbraw/zinc/49/52/67/805495267.db2.gz OTGOAVVIECGJHQ-YUMQZZPRSA-N -1 0 317.342 -0.408 20 0 DBADRM O=C([O-])NCC1(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CCCC1 ZINC000834208105 805496151 /nfs/dbraw/zinc/49/61/51/805496151.db2.gz VUMLZQPIDYOMCF-VIFPVBQESA-N -1 0 324.337 -0.423 20 0 DBADRM C[C@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@H]1CCCO1 ZINC000834325046 805497240 /nfs/dbraw/zinc/49/72/40/805497240.db2.gz SSCJTPNKVYPLTA-NXEZZACHSA-N -1 0 306.384 -0.226 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cn1cc(C2CC2)cn1 ZINC000834325156 805497322 /nfs/dbraw/zinc/49/73/22/805497322.db2.gz XWCVUKZRBWVMBL-UHFFFAOYSA-N -1 0 314.367 -0.657 20 0 DBADRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000834325030 805497351 /nfs/dbraw/zinc/49/73/51/805497351.db2.gz RXHSBMUTUQEMBN-RKDXNWHRSA-N -1 0 306.384 -0.228 20 0 DBADRM Cc1ccn([C@@H](C)CC(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC000834324901 805497402 /nfs/dbraw/zinc/49/74/02/805497402.db2.gz MXSMKEXRITXIII-JTQLQIEISA-N -1 0 316.383 -0.275 20 0 DBADRM CCNc1nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cs1 ZINC000834324908 805497471 /nfs/dbraw/zinc/49/74/71/805497471.db2.gz NCRPCMWTDVOYSO-UHFFFAOYSA-N -1 0 320.396 -0.229 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCCc1cccnc1 ZINC000834325117 805497604 /nfs/dbraw/zinc/49/76/04/805497604.db2.gz WKSSJYPLSVQFMQ-UHFFFAOYSA-N -1 0 313.379 -0.014 20 0 DBADRM CC1(C)OCC(CO)(NC(=O)CSc2n[nH]c(=O)[n-]2)CO1 ZINC000834495867 805503846 /nfs/dbraw/zinc/50/38/46/805503846.db2.gz KOBRUPBQLUYKBY-UHFFFAOYSA-N -1 0 318.355 -0.767 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cn(-c2cccnc2)nn1 ZINC000835221030 805520448 /nfs/dbraw/zinc/52/04/48/805520448.db2.gz RRKCCSRCHIDSKB-UHFFFAOYSA-N -1 0 324.366 -0.021 20 0 DBADRM CCC[C@H](OC)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000835463426 805520762 /nfs/dbraw/zinc/52/07/62/805520762.db2.gz HKQKBMZHKSQLQA-NSHDSACASA-N -1 0 321.399 -0.673 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)CCOC(C)(C)C ZINC000835918547 805521662 /nfs/dbraw/zinc/52/16/62/805521662.db2.gz MEQSYVKAOWLKRJ-NSHDSACASA-N -1 0 322.427 -0.032 20 0 DBADRM CC(C)(C)OCCS(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000835918169 805521905 /nfs/dbraw/zinc/52/19/05/805521905.db2.gz XWLMATIHMFVZOZ-UHFFFAOYSA-N -1 0 322.383 -0.894 20 0 DBADRM CC1=C(C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@H](C)n2ncnc2N1C ZINC000836716636 805528575 /nfs/dbraw/zinc/52/85/75/805528575.db2.gz ZQKSHGQFVWDWHD-UWVGGRQHSA-N -1 0 321.337 -0.125 20 0 DBADRM CC(C)[C@H](C(=O)[N-]OC(C)(C)CO)N1CCCS1(=O)=O ZINC000836805024 805529666 /nfs/dbraw/zinc/52/96/66/805529666.db2.gz RJPQCQHUFCLAHB-SNVBAGLBSA-N -1 0 308.400 -0.135 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@@H](F)C(=O)[O-] ZINC000837295630 805533003 /nfs/dbraw/zinc/53/30/03/805533003.db2.gz BOYWHVNTZFPAJG-HTQZYQBOSA-N -1 0 312.319 -0.729 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC001324591984 806989119 /nfs/dbraw/zinc/98/91/19/806989119.db2.gz DYKAOFYDXXMAHE-MRVPVSSYSA-N -1 0 310.397 -0.909 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](Cc1ccccc1)OC ZINC000838795479 805545485 /nfs/dbraw/zinc/54/54/85/805545485.db2.gz CPJNZQWQDRTHAJ-LLVKDONJSA-N -1 0 315.347 -0.137 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cc(C(C)(C)C)nn1C ZINC000838802276 805545502 /nfs/dbraw/zinc/54/55/02/805545502.db2.gz FAYHDSKEEDIVDB-UHFFFAOYSA-N -1 0 317.367 -0.050 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CSCC(F)(F)F ZINC000838802248 805545759 /nfs/dbraw/zinc/54/57/59/805545759.db2.gz QTSYGOHZFCTQHG-UHFFFAOYSA-N -1 0 309.287 -0.099 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cnn2ccc(C)cc12 ZINC000838797832 805545934 /nfs/dbraw/zinc/54/59/34/805545934.db2.gz QYVHMSDCDCNOQG-UHFFFAOYSA-N -1 0 311.319 -0.125 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](Cc1ccccc1)OC ZINC000838795866 805545977 /nfs/dbraw/zinc/54/59/77/805545977.db2.gz CPJNZQWQDRTHAJ-NSHDSACASA-N -1 0 315.347 -0.137 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cccc2c1OCO2 ZINC000838807764 805547011 /nfs/dbraw/zinc/54/70/11/805547011.db2.gz RSNOYTJGQHFRFE-UHFFFAOYSA-N -1 0 301.276 -0.352 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(C)=O ZINC000838847183 805547213 /nfs/dbraw/zinc/54/72/13/805547213.db2.gz SXCQHLOFSSKBTQ-JTQLQIEISA-N -1 0 322.383 -0.454 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@H]1COCCO1 ZINC000838889132 805547876 /nfs/dbraw/zinc/54/78/76/805547876.db2.gz NCEWRLQLKJJQBP-NXEZZACHSA-N -1 0 323.367 -0.420 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)c2cn(C)cn2)cn1 ZINC000838991612 805548458 /nfs/dbraw/zinc/54/84/58/805548458.db2.gz SQINFVZKPWDADM-UHFFFAOYSA-N -1 0 311.323 -0.273 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CN(C)C(C)=O ZINC000838890954 805548552 /nfs/dbraw/zinc/54/85/52/805548552.db2.gz WTMWZEVMHWNVFY-JTQLQIEISA-N -1 0 322.383 -0.358 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1cc(Cl)ccc1-n1cnnn1 ZINC001324764657 807004216 /nfs/dbraw/zinc/00/42/16/807004216.db2.gz QSMCEOSXIXMYLQ-UHFFFAOYSA-N -1 0 321.684 -0.078 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000883414100 807013397 /nfs/dbraw/zinc/01/33/97/807013397.db2.gz LOVNLRPAXISOKG-GHMZBOCLSA-N -1 0 316.354 -0.428 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC001325051111 807027215 /nfs/dbraw/zinc/02/72/15/807027215.db2.gz OYNINJFMAIBNCC-VHSXEESVSA-N -1 0 320.334 -0.480 20 0 DBADRM CC1(C)CN(C(=O)C(=O)NCCOCC(=O)[O-])CCS1 ZINC000884472910 807050954 /nfs/dbraw/zinc/05/09/54/807050954.db2.gz LWMSFIKAVGCYOS-UHFFFAOYSA-N -1 0 304.368 -0.442 20 0 DBADRM CN(Cc1cccs1)C(=O)C(=O)NCCOCC(=O)[O-] ZINC000884474854 807051011 /nfs/dbraw/zinc/05/10/11/807051011.db2.gz OJLJGOKINGZVPM-UHFFFAOYSA-N -1 0 300.336 -0.076 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])C[C@H](C)C1(F)F ZINC000884477543 807051045 /nfs/dbraw/zinc/05/10/45/807051045.db2.gz AFRNQRLJFSFKIN-IUCAKERBSA-N -1 0 322.308 -0.047 20 0 DBADRM C=C/C(C)=C/CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001325265617 807056631 /nfs/dbraw/zinc/05/66/31/807056631.db2.gz UVONFBLUOKLLRH-ONNFQVAWSA-N -1 0 307.354 -0.304 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC001325761788 807100833 /nfs/dbraw/zinc/10/08/33/807100833.db2.gz JMRUNHWCXOJXAL-UHFFFAOYSA-N -1 0 320.309 -0.315 20 0 DBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)c3cncnc3)cnc21 ZINC001325852889 807110696 /nfs/dbraw/zinc/11/06/96/807110696.db2.gz WGGCDPQHCVCMLZ-UHFFFAOYSA-N -1 0 318.318 -0.123 20 0 DBADRM O=C(c1c([O-])cccc1F)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000886184767 807118511 /nfs/dbraw/zinc/11/85/11/807118511.db2.gz JRZJMHVKVVWYDM-QMMMGPOBSA-N -1 0 315.326 -0.494 20 0 DBADRM Cc1cc(CNCCN(CCO)C(=O)c2n[nH]c(C)c2[O-])no1 ZINC001326008926 807131876 /nfs/dbraw/zinc/13/18/76/807131876.db2.gz GGHOPEMVYQIPSU-UHFFFAOYSA-N -1 0 323.353 -0.056 20 0 DBADRM CCn1cnc2c1CCN(C(=O)c1cnc([O-])n(C)c1=O)C2 ZINC000886619588 807134375 /nfs/dbraw/zinc/13/43/75/807134375.db2.gz JGSZQLPRRHMXPG-UHFFFAOYSA-N -1 0 303.322 -0.099 20 0 DBADRM CCCO[N-]C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC001326088122 807144164 /nfs/dbraw/zinc/14/41/64/807144164.db2.gz QACWWGDZJBDUAP-UHFFFAOYSA-N -1 0 301.324 -0.119 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CCCF)C1 ZINC000887054171 807146889 /nfs/dbraw/zinc/14/68/89/807146889.db2.gz ROGBACVGDQVKEZ-ZDUSSCGKSA-N -1 0 304.318 -0.246 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC[C@@H]1C(=O)[O-] ZINC000887051959 807146996 /nfs/dbraw/zinc/14/69/96/807146996.db2.gz FJEBAOCMYPTFOW-NWBUJAPZSA-N -1 0 324.377 -0.215 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3[C@H](O)CC[C@@H]3C2)C1 ZINC000887052206 807147111 /nfs/dbraw/zinc/14/71/11/807147111.db2.gz OABKUDNFEQQMJT-QNWHQSFQSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC000887052494 807147184 /nfs/dbraw/zinc/14/71/84/807147184.db2.gz XFRPJBNYGLABJH-NWBUJAPZSA-N -1 0 324.377 -0.215 20 0 DBADRM CC(=O)N1CCC[C@H](CNC(=O)C(=O)NCCCC(=O)[O-])C1 ZINC001326279314 807167591 /nfs/dbraw/zinc/16/75/91/807167591.db2.gz XIKBDCAYHPVGAH-LLVKDONJSA-N -1 0 313.354 -0.658 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CC[C@@H]1CO ZINC000889125707 807187418 /nfs/dbraw/zinc/18/74/18/807187418.db2.gz FLWXLHJOCPWVAY-MRVPVSSYSA-N -1 0 320.317 -0.164 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001326651587 807201949 /nfs/dbraw/zinc/20/19/49/807201949.db2.gz LHZUJIRVEPFBJG-NXEZZACHSA-N -1 0 322.383 -0.990 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](CC(C)C)OC ZINC001326688855 807205885 /nfs/dbraw/zinc/20/58/85/807205885.db2.gz MDPIAJUQDQRMJB-SNVBAGLBSA-N -1 0 303.359 -0.652 20 0 DBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)[N-]OCCOC ZINC001326735333 807207935 /nfs/dbraw/zinc/20/79/35/807207935.db2.gz ULVOKOJNUMHAQL-UHFFFAOYSA-N -1 0 314.298 -0.771 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)C[C@@H]1CCCCO1 ZINC001326745288 807209155 /nfs/dbraw/zinc/20/91/55/807209155.db2.gz DUPKBDHCJPTVJA-JTQLQIEISA-N -1 0 301.343 -0.802 20 0 DBADRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001326779087 807210923 /nfs/dbraw/zinc/21/09/23/807210923.db2.gz UNYIMAXZLLTCGW-SECBINFHSA-N -1 0 324.337 -0.634 20 0 DBADRM CCN1CCN(CC(=O)[N-]Oc2ccc(F)cc2)C(=O)C1=O ZINC000898573704 807225864 /nfs/dbraw/zinc/22/58/64/807225864.db2.gz PGUUHQRAXBXYRK-UHFFFAOYSA-N -1 0 309.297 -0.074 20 0 DBADRM COc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)nn1C ZINC001326990455 807230235 /nfs/dbraw/zinc/23/02/35/807230235.db2.gz GXSAUBTWOVPIPP-JGVFFNPUSA-N -1 0 310.310 -0.263 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC001326998585 807230373 /nfs/dbraw/zinc/23/03/73/807230373.db2.gz FUQTZDIFOYIUHV-SNVBAGLBSA-N -1 0 313.354 -0.612 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)C[C@H]1CCCOC1 ZINC001327039229 807235973 /nfs/dbraw/zinc/23/59/73/807235973.db2.gz VAQIRCBXAQBTTQ-SNVBAGLBSA-N -1 0 301.343 -0.945 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](c2ccccn2)C1 ZINC001327051132 807237859 /nfs/dbraw/zinc/23/78/59/807237859.db2.gz RSXBQJVCLTWJPY-LLVKDONJSA-N -1 0 320.349 -0.419 20 0 DBADRM COC[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)[C@@H]1CCCOC1 ZINC000898868841 807240088 /nfs/dbraw/zinc/24/00/88/807240088.db2.gz FQBRCPINBZAHMZ-WOPDTQHZSA-N -1 0 316.354 -0.077 20 0 DBADRM COCCn1ncc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)c1C ZINC000899038725 807243885 /nfs/dbraw/zinc/24/38/85/807243885.db2.gz AJSXCGWCSQDRSY-VIFPVBQESA-N -1 0 309.326 -0.235 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)[N-]OCc2ccccc2)O1 ZINC001327301457 807258400 /nfs/dbraw/zinc/25/84/00/807258400.db2.gz FUAWNEVOHYXYGX-NWDGAFQWSA-N -1 0 321.333 -0.617 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1c(C)cnn1CC1CC1 ZINC001327323916 807262631 /nfs/dbraw/zinc/26/26/31/807262631.db2.gz KMQJUILNZTVJNO-UHFFFAOYSA-N -1 0 323.353 -0.276 20 0 DBADRM CC(C)[C@]1(C(=O)[O-])C[C@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000899813089 807273178 /nfs/dbraw/zinc/27/31/78/807273178.db2.gz RYFRKALEKNFUMS-GXFFZTMASA-N -1 0 318.395 -0.163 20 0 DBADRM CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000899813093 807273626 /nfs/dbraw/zinc/27/36/26/807273626.db2.gz RYFRKALEKNFUMS-MFKMUULPSA-N -1 0 318.395 -0.163 20 0 DBADRM Cn1cccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)c1=O ZINC001327478860 807289691 /nfs/dbraw/zinc/28/96/91/807289691.db2.gz HVBALQYZFXKTPT-UHFFFAOYSA-N -1 0 307.306 -0.305 20 0 DBADRM CCn1cc(CNC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)nn1 ZINC001327498719 807293632 /nfs/dbraw/zinc/29/36/32/807293632.db2.gz BTZQWUVKSFBELE-UHFFFAOYSA-N -1 0 323.353 -0.326 20 0 DBADRM C[S@](=O)C1(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)CCC1 ZINC001327514907 807297281 /nfs/dbraw/zinc/29/72/81/807297281.db2.gz UFEBUZVLFOLWIK-UZJPJQLHSA-N -1 0 318.395 -0.512 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC001327526572 807299032 /nfs/dbraw/zinc/29/90/32/807299032.db2.gz PJAQCHCWZMAAHH-WDEREUQCSA-N -1 0 313.354 -0.756 20 0 DBADRM COCC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-] ZINC001327595442 807309922 /nfs/dbraw/zinc/30/99/22/807309922.db2.gz JHAIHBCKUZYIPA-ZCFIWIBFSA-N -1 0 300.233 -0.339 20 0 DBADRM CCn1cccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1=O ZINC001327681509 807322478 /nfs/dbraw/zinc/32/24/78/807322478.db2.gz CVOUEVUATRAWFI-VIFPVBQESA-N -1 0 309.322 -0.679 20 0 DBADRM CCn1cccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1=O ZINC001327681508 807322528 /nfs/dbraw/zinc/32/25/28/807322528.db2.gz CVOUEVUATRAWFI-SECBINFHSA-N -1 0 309.322 -0.679 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](CC)[C@H]1CCCCO1 ZINC001327756889 807332841 /nfs/dbraw/zinc/33/28/41/807332841.db2.gz BPZRBKBWXDYUMA-WDEREUQCSA-N -1 0 315.370 -0.366 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C(=O)N(C)C ZINC001327807111 807340003 /nfs/dbraw/zinc/34/00/03/807340003.db2.gz ZJHAGXQTHVTCGB-ZETCQYMHSA-N -1 0 308.294 -0.689 20 0 DBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1)N1CCNCC1=O ZINC000901030507 807341092 /nfs/dbraw/zinc/34/10/92/807341092.db2.gz MWJUPCIFRILLLP-MRVPVSSYSA-N -1 0 317.392 -0.627 20 0 DBADRM C[C@H](C(=O)[N-]S(=O)(=O)C1CCCCC1)N1CCNCC1=O ZINC000901021216 807341148 /nfs/dbraw/zinc/34/11/48/807341148.db2.gz VZFMMYMMUOGQRI-SNVBAGLBSA-N -1 0 317.411 -0.415 20 0 DBADRM O=C(CN1CCNCC1=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000901020875 807341492 /nfs/dbraw/zinc/34/14/92/807341492.db2.gz ZNVXGDXKXBXEKQ-UHFFFAOYSA-N -1 0 317.411 -0.556 20 0 DBADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1)N1CCNCC1=O ZINC000901030508 807341546 /nfs/dbraw/zinc/34/15/46/807341546.db2.gz MWJUPCIFRILLLP-QMMMGPOBSA-N -1 0 317.392 -0.627 20 0 DBADRM CCN(CC)S(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O ZINC001327866937 807349756 /nfs/dbraw/zinc/34/97/56/807349756.db2.gz POFOUYDFYWZTMN-UHFFFAOYSA-N -1 0 305.356 -0.772 20 0 DBADRM COCCc1noc(CN(C)C(=O)[C@](C)(OC)C(=O)[O-])n1 ZINC001327895258 807352018 /nfs/dbraw/zinc/35/20/18/807352018.db2.gz HLXWEXULOKYVTH-LBPRGKRZSA-N -1 0 301.299 -0.293 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCc1nc(C2CC2)no1 ZINC001327929270 807356778 /nfs/dbraw/zinc/35/67/78/807356778.db2.gz ZCGOTGCIUPVPJA-UHFFFAOYSA-N -1 0 300.340 -0.026 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N3CC[C@H](C(=O)[O-])C3)CC2=O)cn1 ZINC000901440662 807363650 /nfs/dbraw/zinc/36/36/50/807363650.db2.gz YGDGRZIYJSYZRK-UWVGGRQHSA-N -1 0 306.322 -0.294 20 0 DBADRM CN1C(=O)COc2ccc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc21 ZINC000901571096 807364537 /nfs/dbraw/zinc/36/45/37/807364537.db2.gz FEMLBWBUAKCGMW-LLVKDONJSA-N -1 0 320.301 -0.033 20 0 DBADRM COC[C@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)C[C@H](C)O1 ZINC000901619253 807365187 /nfs/dbraw/zinc/36/51/87/807365187.db2.gz SHTNQPVLEVMWAN-WDEREUQCSA-N -1 0 324.333 -0.191 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000901863007 807365815 /nfs/dbraw/zinc/36/58/15/807365815.db2.gz SNHUXVXBASYANT-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@H](OC)C(=O)[O-])C1 ZINC000901704868 807365906 /nfs/dbraw/zinc/36/59/06/807365906.db2.gz LXZRZSDZLXQLFH-QUBYGPBYSA-N -1 0 312.244 -0.387 20 0 DBADRM CCN(CC)C(=O)N1CCN(C(=O)[C@H](OC)C(=O)[O-])CC1 ZINC000901772930 807365999 /nfs/dbraw/zinc/36/59/99/807365999.db2.gz BLRTZYLOTGFIGE-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N(C)CC(=O)NCc1cccs1 ZINC000901719657 807366324 /nfs/dbraw/zinc/36/63/24/807366324.db2.gz JKYIHOYQJZCCIN-JTQLQIEISA-N -1 0 300.336 -0.078 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)c2c(C(=O)[O-])cnn2C)C1 ZINC000902072784 807367725 /nfs/dbraw/zinc/36/77/25/807367725.db2.gz VNBVYHDSFKHLKR-VIFPVBQESA-N -1 0 323.353 -0.054 20 0 DBADRM C[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CC[C@H]1C(=O)[O-] ZINC000902173065 807369375 /nfs/dbraw/zinc/36/93/75/807369375.db2.gz GEHXNJGSEQUBPJ-VHSXEESVSA-N -1 0 306.384 -0.163 20 0 DBADRM O=C([O-])COCCNC(=O)CSCC(=O)N1CCCCC1 ZINC000902297132 807372180 /nfs/dbraw/zinc/37/21/80/807372180.db2.gz OCBIAIKNPUAPFO-UHFFFAOYSA-N -1 0 318.395 -0.051 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)COCC(F)F)C1=O ZINC000902421223 807373389 /nfs/dbraw/zinc/37/33/89/807373389.db2.gz GRXDQEYXJCHRJX-QMMMGPOBSA-N -1 0 308.281 -0.150 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)[C@@]3(C(=O)[O-])CC=CCC3)C[C@H]2C1=O ZINC000902447106 807374593 /nfs/dbraw/zinc/37/45/93/807374593.db2.gz XMFFOXMDKVDQJL-HFBDOXOYSA-N -1 0 306.318 -0.129 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000902627903 807379496 /nfs/dbraw/zinc/37/94/96/807379496.db2.gz LRFCKHRSJPHCOT-COMAGPEQSA-N -1 0 301.364 -0.010 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000902775576 807381632 /nfs/dbraw/zinc/38/16/32/807381632.db2.gz ZGSNYHWOCMUSMW-UHFFFAOYSA-N -1 0 306.322 -0.412 20 0 DBADRM CN1CCCC[C@@H](C(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1=O ZINC000902773325 807381687 /nfs/dbraw/zinc/38/16/87/807381687.db2.gz QNICYMJCYKCSRJ-SNVBAGLBSA-N -1 0 311.338 -1.000 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC000902773153 807381802 /nfs/dbraw/zinc/38/18/02/807381802.db2.gz XRCUEAJUSHJAEY-SNVBAGLBSA-N -1 0 306.322 -0.799 20 0 DBADRM CC(C)c1cc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)nn1C ZINC000902776057 807381826 /nfs/dbraw/zinc/38/18/26/807381826.db2.gz DOBOMYJSMXYJKW-UHFFFAOYSA-N -1 0 308.338 -0.088 20 0 DBADRM Cn1cnc2cc(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)ccc21 ZINC000902774252 807381852 /nfs/dbraw/zinc/38/18/52/807381852.db2.gz BFZWVURMYZRRFT-UHFFFAOYSA-N -1 0 316.317 -0.058 20 0 DBADRM C[C@@H]1CCn2ncc(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)c2C1 ZINC000902774247 807381906 /nfs/dbraw/zinc/38/19/06/807381906.db2.gz AYYQBVGKZYXTEO-SNVBAGLBSA-N -1 0 320.349 -0.166 20 0 DBADRM COCCOCCN1c2c(cnn2C)C([O-])=CS1(=O)=O ZINC000902834566 807382981 /nfs/dbraw/zinc/38/29/81/807382981.db2.gz YGPKBRHJYIKZKX-UHFFFAOYSA-N -1 0 303.340 -0.584 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1 ZINC000903017090 807386059 /nfs/dbraw/zinc/38/60/59/807386059.db2.gz PBAVCKQYOHRNBP-ZDUSSCGKSA-N -1 0 314.363 -0.037 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001328165690 807386884 /nfs/dbraw/zinc/38/68/84/807386884.db2.gz KXGQGEIJKHXICV-LLVKDONJSA-N -1 0 312.370 -0.164 20 0 DBADRM CSC[C@@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC000903055029 807387108 /nfs/dbraw/zinc/38/71/08/807387108.db2.gz WCLOANOWXLTCCD-MRVPVSSYSA-N -1 0 312.413 -0.252 20 0 DBADRM COC[C@H]1COCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000903532942 807393672 /nfs/dbraw/zinc/39/36/72/807393672.db2.gz WARPBOONKHDEIG-NSHDSACASA-N -1 0 322.383 -0.625 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCO[C@@H]2COCC[C@@H]21 ZINC000903545800 807395039 /nfs/dbraw/zinc/39/50/39/807395039.db2.gz BCXBXFHOLVAUOG-GARJFASQSA-N -1 0 320.367 -0.730 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC001328332669 807412700 /nfs/dbraw/zinc/41/27/00/807412700.db2.gz BRXJLOSDTUKHPB-DTWKUNHWSA-N -1 0 305.290 -0.229 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903876932 807418386 /nfs/dbraw/zinc/41/83/86/807418386.db2.gz IVCBMGIDQOCMRS-OPRDCNLKSA-N -1 0 306.384 -0.165 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N(C)C[C@@H]1CCOC1 ZINC000904939242 807427650 /nfs/dbraw/zinc/42/76/50/807427650.db2.gz GPVFUXMPGYDRGV-NSHDSACASA-N -1 0 316.354 -0.569 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N(C)[C@@H]1CC[C@@H]1OC ZINC000904942954 807427674 /nfs/dbraw/zinc/42/76/74/807427674.db2.gz HSVPCTIEJAFFHG-MNOVXSKESA-N -1 0 316.354 -0.428 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N(C)C[C@H]1CCCO1 ZINC000904936783 807427890 /nfs/dbraw/zinc/42/78/90/807427890.db2.gz RBIBIWNDZRAKMA-LLVKDONJSA-N -1 0 316.354 -0.427 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N(C)[C@H]1CC[C@H]1OC ZINC000904942956 807427935 /nfs/dbraw/zinc/42/79/35/807427935.db2.gz HSVPCTIEJAFFHG-WDEREUQCSA-N -1 0 316.354 -0.428 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1C[C@@H]2C[C@H]1CS2 ZINC000904942336 807428056 /nfs/dbraw/zinc/42/80/56/807428056.db2.gz VSFRLMVVAUKGOY-UWVGGRQHSA-N -1 0 316.379 -0.348 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCCSCC1 ZINC000904935612 807428108 /nfs/dbraw/zinc/42/81/08/807428108.db2.gz BXEQTIXPURCQAM-UHFFFAOYSA-N -1 0 318.395 -0.098 20 0 DBADRM NC(=O)CN1CCC[C@@H](NC(=O)[C@@H](C(=O)[O-])C2CCCC2)C1 ZINC001328478810 807431419 /nfs/dbraw/zinc/43/14/19/807431419.db2.gz ROLVGUCEPAIAPU-YPMHNXCESA-N -1 0 311.382 -0.057 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC001328606805 807447386 /nfs/dbraw/zinc/44/73/86/807447386.db2.gz QKNQRAKQDDBAIG-MRVPVSSYSA-N -1 0 307.306 -0.761 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cnc2c(c1)COCC2 ZINC001328728537 807461062 /nfs/dbraw/zinc/46/10/62/807461062.db2.gz SZZLDCAFHXUNTD-UHFFFAOYSA-N -1 0 322.321 -0.723 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001328729534 807461302 /nfs/dbraw/zinc/46/13/02/807461302.db2.gz PCSNUFHXXNBEFM-IBGZPJMESA-N -1 0 304.290 -0.129 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1nn(C)c2c1CCCC2 ZINC000906294390 807480947 /nfs/dbraw/zinc/48/09/47/807480947.db2.gz MZZQBCCQALHLNW-UHFFFAOYSA-N -1 0 305.342 -0.394 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@@](C)(OC)C1(C)C ZINC001328945643 807492373 /nfs/dbraw/zinc/49/23/73/807492373.db2.gz ALFGXYCFDUEKLT-LKFCYVNXSA-N -1 0 315.370 -0.510 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2ncn(C)n2)CC[C@@H]1C(=O)[O-] ZINC001328966323 807496458 /nfs/dbraw/zinc/49/64/58/807496458.db2.gz WUSOVCOWLVKAAJ-BDAKNGLRSA-N -1 0 309.326 -1.000 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2ncn(C)n2)CC[C@@H]1C(=O)[O-] ZINC001328966325 807496716 /nfs/dbraw/zinc/49/67/16/807496716.db2.gz WUSOVCOWLVKAAJ-IUCAKERBSA-N -1 0 309.326 -1.000 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@](CC)(CO)C1 ZINC001328997645 807502575 /nfs/dbraw/zinc/50/25/75/807502575.db2.gz FGUBVNTZWOJGRY-AWEZNQCLSA-N -1 0 315.370 -0.819 20 0 DBADRM COc1ccc(CCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC001329062962 807512972 /nfs/dbraw/zinc/51/29/72/807512972.db2.gz TWAWHSCKFNZONJ-LLVKDONJSA-N -1 0 321.333 -0.318 20 0 DBADRM Cn1cc(-c2nn(C)cc2[N-]S(=O)(=O)c2cnnn2C)cn1 ZINC001329126689 807526288 /nfs/dbraw/zinc/52/62/88/807526288.db2.gz JDANPGUVKCODRI-UHFFFAOYSA-N -1 0 322.354 -0.250 20 0 DBADRM C=CC(=O)N(CC)CC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907480391 807531061 /nfs/dbraw/zinc/53/10/61/807531061.db2.gz OVFHJMIRBKJOLT-VIFPVBQESA-N -1 0 310.383 -0.149 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CCSC[C@H]2c2nnn[n-]2)C1 ZINC000907476657 807531220 /nfs/dbraw/zinc/53/12/20/807531220.db2.gz RACILRDFYUABSB-UWVGGRQHSA-N -1 0 312.399 -0.463 20 0 DBADRM CN1CCC[C@H](C(=O)N2CCSC[C@@H]2c2nnn[n-]2)C1=O ZINC000907474931 807531457 /nfs/dbraw/zinc/53/14/57/807531457.db2.gz ICWZNPPPQFXQBS-DTWKUNHWSA-N -1 0 310.383 -0.315 20 0 DBADRM Cn1cccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)c1=O ZINC000907474406 807531547 /nfs/dbraw/zinc/53/15/47/807531547.db2.gz JYYUULZSOVLHKH-VIFPVBQESA-N -1 0 306.351 -0.171 20 0 DBADRM COCCCOCC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907480386 807532085 /nfs/dbraw/zinc/53/20/85/807532085.db2.gz TWXIHGMVTSKPSC-VIFPVBQESA-N -1 0 301.372 -0.131 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001329214894 807538858 /nfs/dbraw/zinc/53/88/58/807538858.db2.gz LQRPFLNDHWBNJC-NSHDSACASA-N -1 0 311.338 -0.692 20 0 DBADRM CCn1cc(CC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)nn1 ZINC000907640072 807541999 /nfs/dbraw/zinc/54/19/99/807541999.db2.gz QXXYWHJIRLWTSQ-IINYFYTJSA-N -1 0 308.338 -0.210 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2nc3ncc(C)cn3n2)C1=O ZINC001329278509 807546551 /nfs/dbraw/zinc/54/65/51/807546551.db2.gz MTDWGZJWPZMKQN-CYBMUJFWSA-N -1 0 317.309 -0.202 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1COCC[C@H]1OC ZINC000907841675 807556584 /nfs/dbraw/zinc/55/65/84/807556584.db2.gz KZFWGUAYYCMQPQ-CGMALJKESA-N -1 0 300.402 -0.258 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC000907842466 807556617 /nfs/dbraw/zinc/55/66/17/807556617.db2.gz WJGULSWWEWMBRX-GHMZBOCLSA-N -1 0 316.379 -0.266 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1)C(=O)[O-] ZINC001329428534 807563689 /nfs/dbraw/zinc/56/36/89/807563689.db2.gz RSFGPWZCTTZAKL-VIFPVBQESA-N -1 0 322.321 -0.299 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)n1 ZINC001329432913 807564503 /nfs/dbraw/zinc/56/45/03/807564503.db2.gz JAAKSEIFZYCGAB-PSASIEDQSA-N -1 0 324.337 -0.394 20 0 DBADRM CCn1ncn([N-]C(=O)c2nnn(C)c2C(F)(F)F)c1=O ZINC000908368696 807590690 /nfs/dbraw/zinc/59/06/90/807590690.db2.gz DPKPOCHQEJDTLB-UHFFFAOYSA-N -1 0 305.220 -0.404 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 ZINC001329637121 807596974 /nfs/dbraw/zinc/59/69/74/807596974.db2.gz SJBFKBOMTLZGDK-SNVBAGLBSA-N -1 0 321.399 -0.337 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1cccc(C(=O)OC)n1 ZINC001329645904 807597510 /nfs/dbraw/zinc/59/75/10/807597510.db2.gz DAMRQKHBYMOEDW-UHFFFAOYSA-N -1 0 311.294 -0.109 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)CS(=O)(=O)C1CC1 ZINC000909012066 807606443 /nfs/dbraw/zinc/60/64/43/807606443.db2.gz ZUFNYGDDBSVECU-QMMMGPOBSA-N -1 0 307.393 -0.018 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1cncc(N2CCOCC2)c1 ZINC000909054991 807607919 /nfs/dbraw/zinc/60/79/19/807607919.db2.gz BGDYTKBDCWPKDF-CYBMUJFWSA-N -1 0 321.333 -0.156 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cc(N3CCOCC3)ccn2)CCO1 ZINC000909222612 807612444 /nfs/dbraw/zinc/61/24/44/807612444.db2.gz XPHKRSMMDHMSCK-ZDUSSCGKSA-N -1 0 321.333 -0.156 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)C[C@]2(CCOC2)O1 ZINC000909729552 807616372 /nfs/dbraw/zinc/61/63/72/807616372.db2.gz OIYWZVPKJOXBGD-YGRLFVJLSA-N -1 0 309.322 -0.012 20 0 DBADRM C[C@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)C[C@@]2(CCOC2)O1 ZINC000909729550 807616457 /nfs/dbraw/zinc/61/64/57/807616457.db2.gz OIYWZVPKJOXBGD-IINYFYTJSA-N -1 0 309.322 -0.012 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 ZINC000909729869 807617144 /nfs/dbraw/zinc/61/71/44/807617144.db2.gz WBJQZCJLMSZZGI-SNVBAGLBSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)[C@@H](C(=O)[O-])C1 ZINC000909783194 807617644 /nfs/dbraw/zinc/61/76/44/807617644.db2.gz ZPXASCVJCNWFKO-VHSXEESVSA-N -1 0 321.399 -0.564 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC2=C(CCC(=O)N2)C1)C(=O)[O-] ZINC001329822382 807625311 /nfs/dbraw/zinc/62/53/11/807625311.db2.gz BLVLGVYVWPXILF-QMMMGPOBSA-N -1 0 309.322 -0.780 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)CCc1cccn1C ZINC001329827275 807625618 /nfs/dbraw/zinc/62/56/18/807625618.db2.gz OMRSJCDURJFWPY-NSHDSACASA-N -1 0 324.381 -0.354 20 0 DBADRM CCOC(=O)N1CC[C@@H](NC(=O)C(=O)[N-]OCCOC)C1 ZINC001329847192 807629504 /nfs/dbraw/zinc/62/95/04/807629504.db2.gz BOKCJYKZZMUEMQ-SECBINFHSA-N -1 0 303.315 -0.972 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC001329865761 807634571 /nfs/dbraw/zinc/63/45/71/807634571.db2.gz FVYHPPPIUKVATJ-LLVKDONJSA-N -1 0 305.281 -0.572 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 ZINC001329897514 807638352 /nfs/dbraw/zinc/63/83/52/807638352.db2.gz GJEKUGTXNXNJBD-AWEZNQCLSA-N -1 0 320.305 -0.301 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000923079241 807648495 /nfs/dbraw/zinc/64/84/95/807648495.db2.gz PGZPAUCGOLROAI-KXUCPTDWSA-N -1 0 300.359 -0.297 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H](C)C(=O)NCC(F)(F)F ZINC001329962544 807649492 /nfs/dbraw/zinc/64/94/92/807649492.db2.gz FRUNVTGYQNHSHS-SSDLBLMSSA-N -1 0 300.233 -0.341 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001329963132 807650750 /nfs/dbraw/zinc/65/07/50/807650750.db2.gz LVBUQXHVPRBRKG-LBPRGKRZSA-N -1 0 322.383 -0.642 20 0 DBADRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC000923146022 807651368 /nfs/dbraw/zinc/65/13/68/807651368.db2.gz FQVJKMILGTZUQP-SKDRFNHKSA-N -1 0 302.352 -0.512 20 0 DBADRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)Cn1nc2ccccn2c1=O ZINC000923145104 807651524 /nfs/dbraw/zinc/65/15/24/807651524.db2.gz BRJMWMUSTHVAGW-BMIGLBTASA-N -1 0 316.317 -0.038 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)nn1 ZINC001330007369 807658833 /nfs/dbraw/zinc/65/88/33/807658833.db2.gz GXVWGLGZPYVSDV-ONGXEEELSA-N -1 0 323.353 -0.517 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001330007387 807658864 /nfs/dbraw/zinc/65/88/64/807658864.db2.gz HKXGQMJFMWAMSN-ZJUUUORDSA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCc2ccnn2C)CC[C@@H]1C(=O)[O-] ZINC001330009337 807659034 /nfs/dbraw/zinc/65/90/34/807659034.db2.gz RFLLWCVXYXWRRY-PWSUYJOCSA-N -1 0 322.365 -0.352 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H]1c2ccccc2C(=O)N1C ZINC000923443748 807669991 /nfs/dbraw/zinc/66/99/91/807669991.db2.gz WXLPIWNDHGSOCR-LLVKDONJSA-N -1 0 306.322 -0.210 20 0 DBADRM O=C(CN1C(=O)CNC1=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC001330168426 807681222 /nfs/dbraw/zinc/68/12/22/807681222.db2.gz LKMVTRAGANPBMK-UHFFFAOYSA-N -1 0 317.261 -0.480 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(CO)CC2)CC[C@@H]1C(=O)[O-] ZINC001330199257 807685282 /nfs/dbraw/zinc/68/52/82/807685282.db2.gz SJELNPPSYXFUPI-PWSUYJOCSA-N -1 0 312.366 -0.214 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)C[C@@H]2CC(=O)N2)s1 ZINC001330222545 807687268 /nfs/dbraw/zinc/68/72/68/807687268.db2.gz VXGZYPMUIQXGTP-BYPYZUCNSA-N -1 0 305.341 -0.873 20 0 DBADRM COCCCC(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001330260433 807691195 /nfs/dbraw/zinc/69/11/95/807691195.db2.gz ZPAGWABUMJOTQL-RTCCRHLQSA-N -1 0 309.370 -0.269 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1)C(=O)[O-] ZINC001330505280 807724230 /nfs/dbraw/zinc/72/42/30/807724230.db2.gz ITCPNTZAEKDASF-RKDXNWHRSA-N -1 0 310.310 -0.553 20 0 DBADRM Cn1cc(Br)c(C(=O)[N-]N2CC(=O)NC2=O)n1 ZINC001330517516 807726033 /nfs/dbraw/zinc/72/60/33/807726033.db2.gz PGZOBLHHSVPKDJ-UHFFFAOYSA-N -1 0 302.088 -0.621 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)nn1 ZINC001330521304 807727908 /nfs/dbraw/zinc/72/79/08/807727908.db2.gz VRJNSDRSLVWBNC-UHFFFAOYSA-N -1 0 309.326 -0.763 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)N[C@@H]1CCCn2nccc21 ZINC001330534822 807730686 /nfs/dbraw/zinc/73/06/86/807730686.db2.gz UYZBCVYOWVKECD-WDEREUQCSA-N -1 0 308.338 -0.082 20 0 DBADRM CN(Cc1cn(C)nn1)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001330594180 807737513 /nfs/dbraw/zinc/73/75/13/807737513.db2.gz HWQNGYZHBMJGSY-CYBMUJFWSA-N -1 0 309.326 -0.903 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC000926280365 807757459 /nfs/dbraw/zinc/75/74/59/807757459.db2.gz AVHLJPQTHFAMSX-QWHCGFSZSA-N -1 0 323.393 -0.280 20 0 DBADRM CC(C)(F)CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001331051892 807766639 /nfs/dbraw/zinc/76/66/39/807766639.db2.gz RKZTWSVXTPSTIK-AMIZOPFISA-N -1 0 302.302 -0.590 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC001331081848 807768247 /nfs/dbraw/zinc/76/82/47/807768247.db2.gz XIMGVJDXSPMQPI-YFKTTZPYSA-N -1 0 310.350 -0.007 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN(C)CC2)C1 ZINC000926405233 807769442 /nfs/dbraw/zinc/76/94/42/807769442.db2.gz ATFUJJOGFJHILA-OAHLLOKOSA-N -1 0 311.382 -0.136 20 0 DBADRM COCCCn1nc(C(=O)[N-]O[C@@H](CO)C(C)C)ccc1=O ZINC001331206051 807777778 /nfs/dbraw/zinc/77/77/78/807777778.db2.gz VTSFAIVHSTWVKI-LBPRGKRZSA-N -1 0 313.354 -0.042 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000927203688 807783730 /nfs/dbraw/zinc/78/37/30/807783730.db2.gz BHKAOCIYRQBLAN-NSHDSACASA-N -1 0 313.329 -0.047 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H](CO)c1c(F)cccc1F ZINC000927212016 807784657 /nfs/dbraw/zinc/78/46/57/807784657.db2.gz RNOCCDPMKLQPDD-SECBINFHSA-N -1 0 303.265 -0.025 20 0 DBADRM CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCC(=O)[N-]OC ZINC000927211606 807784681 /nfs/dbraw/zinc/78/46/81/807784681.db2.gz OKIQWSJYTFMFTA-SNVBAGLBSA-N -1 0 300.359 -0.294 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000927210997 807784718 /nfs/dbraw/zinc/78/47/18/807784718.db2.gz IXOJIBUMCJCNOW-GFCCVEGCSA-N -1 0 322.365 -0.337 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000927212550 807784734 /nfs/dbraw/zinc/78/47/34/807784734.db2.gz MKDGAKBADNGHMJ-QMMMGPOBSA-N -1 0 312.292 -0.058 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000927215936 807785553 /nfs/dbraw/zinc/78/55/53/807785553.db2.gz SATYFZAPHJEDKP-YUMQZZPRSA-N -1 0 313.276 -0.134 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1OC ZINC000927214212 807785673 /nfs/dbraw/zinc/78/56/73/807785673.db2.gz HOLYAKPSXABVMB-QJPTWQEYSA-N -1 0 315.370 -0.111 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000927215868 807785858 /nfs/dbraw/zinc/78/58/58/807785858.db2.gz RBVQFXPVWZPRHP-MNOVXSKESA-N -1 0 300.359 -0.831 20 0 DBADRM CO[N-]C(=O)CNC(=O)N(C)CCCNC(=O)C1CCC1 ZINC000927215557 807785961 /nfs/dbraw/zinc/78/59/61/807785961.db2.gz ZTQOSVKSQJPIRU-UHFFFAOYSA-N -1 0 300.359 -0.388 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H]1CN(C(C)=O)C1CC1 ZINC000927217005 807786002 /nfs/dbraw/zinc/78/60/02/807786002.db2.gz HVOQUFWVYSJNQO-GFCCVEGCSA-N -1 0 312.370 -0.151 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCSC2(CCOCC2)C1 ZINC000927217990 807786512 /nfs/dbraw/zinc/78/65/12/807786512.db2.gz UERMVTBCGLHVJA-UHFFFAOYSA-N -1 0 303.384 -0.028 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(c2ccnc(C)n2)CC1 ZINC000927217359 807786659 /nfs/dbraw/zinc/78/66/59/807786659.db2.gz NDCUAWRIDRSRAQ-UHFFFAOYSA-N -1 0 308.342 -0.706 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC001331306440 807787015 /nfs/dbraw/zinc/78/70/15/807787015.db2.gz LFWDSAXCSYRJFD-LLVKDONJSA-N -1 0 323.353 -0.502 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@]23C[C@@H]2CCCC3)CCO1 ZINC000927950705 807800495 /nfs/dbraw/zinc/80/04/95/807800495.db2.gz PMHPRNUQZPPMSR-ZIBATOQPSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@H]2C(F)(F)F)CCO1 ZINC000927963584 807800872 /nfs/dbraw/zinc/80/08/72/807800872.db2.gz NHNFLHOGDQMKNN-XLPZGREQSA-N -1 0 324.255 -0.387 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)N[C@@H](COC)[C@@H]1CCCO1 ZINC000929050025 807822954 /nfs/dbraw/zinc/82/29/54/807822954.db2.gz OGFJPAOUFBXLHN-QWRGUYRKSA-N -1 0 304.343 -0.077 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)NCCO[C@@H]1CCOC1 ZINC000929016704 807823018 /nfs/dbraw/zinc/82/30/18/807823018.db2.gz GYVATKFDVRXYLZ-MNOVXSKESA-N -1 0 304.343 -0.077 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@](F)(CO)C2)CC[C@H]1C(=O)[O-] ZINC001331762086 807827139 /nfs/dbraw/zinc/82/71/39/807827139.db2.gz JJGYDLTWTBXBQR-GPCCPHFNSA-N -1 0 316.329 -0.512 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC001331846316 807842680 /nfs/dbraw/zinc/84/26/80/807842680.db2.gz DNZCQNYTGQEYDR-YFKTTZPYSA-N -1 0 312.366 -0.215 20 0 DBADRM Cn1nnc2cc(S(=O)(=O)[N-]N3CC(=O)N(C)C3=O)ccc21 ZINC001331889748 807847953 /nfs/dbraw/zinc/84/79/53/807847953.db2.gz CZVOOKQBCMHGJZ-UHFFFAOYSA-N -1 0 324.322 -0.944 20 0 DBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@H](OC)C(=O)[O-])CC1 ZINC001331948663 807854758 /nfs/dbraw/zinc/85/47/58/807854758.db2.gz DZHZZMUCHYHINZ-PWSUYJOCSA-N -1 0 315.370 -0.855 20 0 DBADRM O=C([O-])[C@H](F)C1CN(C(=O)CC(=O)NCC(F)(F)F)C1 ZINC001332147327 807878426 /nfs/dbraw/zinc/87/84/26/807878426.db2.gz GGIHJMPLIBIWRU-MRVPVSSYSA-N -1 0 300.208 -0.064 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H]2COC[C@@H]2C1)C(=O)[O-] ZINC001332165843 807879527 /nfs/dbraw/zinc/87/95/27/807879527.db2.gz FDPMPZLZLUFTAP-UTUOFQBUSA-N -1 0 312.366 -0.046 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCN(CC2CC2)CC1 ZINC001332167272 807880245 /nfs/dbraw/zinc/88/02/45/807880245.db2.gz BBGLAKPKVWDILZ-UHFFFAOYSA-N -1 0 311.382 -0.088 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC001332183660 807881125 /nfs/dbraw/zinc/88/11/25/807881125.db2.gz WCYXHXBCZHLPAA-FIQHERPVSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC001332183659 807881260 /nfs/dbraw/zinc/88/12/60/807881260.db2.gz WCYXHXBCZHLPAA-BJDJZHNGSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C(NCCN1CCS(=O)(=O)CC1)c1cccc(F)c1[O-] ZINC000930655771 807885902 /nfs/dbraw/zinc/88/59/02/807885902.db2.gz TYAYEEGFTLPEIK-UHFFFAOYSA-N -1 0 316.354 -0.009 20 0 DBADRM NS(=O)(=O)CCCCCCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001332325212 807899833 /nfs/dbraw/zinc/89/98/33/807899833.db2.gz OCGGTMIZJYQNDN-JTQLQIEISA-N -1 0 322.383 -0.463 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)Nc1cccc2c1CNC2=O ZINC001332338607 807901877 /nfs/dbraw/zinc/90/18/77/807901877.db2.gz GTOPHWXYZCPTTK-UHFFFAOYSA-N -1 0 305.290 -0.151 20 0 DBADRM Cc1nnc(CN2CC[C@H]2CNC(=O)c2[nH]nc(C)c2[O-])[nH]1 ZINC001038164099 815160580 /nfs/dbraw/zinc/16/05/80/815160580.db2.gz FKWMBUFMIPCAIJ-VIFPVBQESA-N -1 0 305.342 -0.145 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000931679835 807934486 /nfs/dbraw/zinc/93/44/86/807934486.db2.gz ZJZOYQLEWSXENK-MNOVXSKESA-N -1 0 310.358 -0.226 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000932400823 807967426 /nfs/dbraw/zinc/96/74/26/807967426.db2.gz NOYPHTSLDGOGRA-BBBLOLIVSA-N -1 0 304.368 -0.683 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cccc(OC)c1 ZINC001332747559 807973836 /nfs/dbraw/zinc/97/38/36/807973836.db2.gz VBXPAKHJUUELAB-UHFFFAOYSA-N -1 0 309.322 -0.505 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1(CCOC)CCC1 ZINC001332803453 807980928 /nfs/dbraw/zinc/98/09/28/807980928.db2.gz SRYRUSOESNWQIX-UHFFFAOYSA-N -1 0 315.370 -0.507 20 0 DBADRM O=c1cc(CN2CCN(Cc3nc[nH]n3)CC2)nc2cc[n-]n21 ZINC001333036191 808008360 /nfs/dbraw/zinc/00/83/60/808008360.db2.gz GQDURUFVWBLEPQ-UHFFFAOYSA-N -1 0 314.353 -0.542 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1c(F)cccc1F ZINC001333074432 808012261 /nfs/dbraw/zinc/01/22/61/808012261.db2.gz MHHOIAOTKOGEJN-UHFFFAOYSA-N -1 0 315.276 -0.583 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(CCOC)CC1 ZINC001333087533 808014422 /nfs/dbraw/zinc/01/44/22/808014422.db2.gz OOVCXSWKADDIJM-UHFFFAOYSA-N -1 0 315.370 -0.555 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC001333111669 808016598 /nfs/dbraw/zinc/01/65/98/808016598.db2.gz VYIKPMAYVFHJBQ-WDEREUQCSA-N -1 0 309.725 -0.399 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC001333170044 808023861 /nfs/dbraw/zinc/02/38/61/808023861.db2.gz RGIOSKZBHYRGPY-LLVKDONJSA-N -1 0 313.354 -0.660 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC001333170045 808023934 /nfs/dbraw/zinc/02/39/34/808023934.db2.gz RGIOSKZBHYRGPY-NSHDSACASA-N -1 0 313.354 -0.660 20 0 DBADRM COCCOCc1cc(=O)n([C@H]2CCCS(=O)(=O)C2)[n-]1 ZINC001333218558 808030604 /nfs/dbraw/zinc/03/06/04/808030604.db2.gz LBPVWSYXPROBSZ-NSHDSACASA-N -1 0 304.368 -0.185 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@@H](CO)OC[C@@H]2C)cc1=O ZINC000934877627 808031510 /nfs/dbraw/zinc/03/15/10/808031510.db2.gz RTEGZXKPMKNZKX-AAEUAGOBSA-N -1 0 311.382 -0.017 20 0 DBADRM CCN(CCc1ccccc1)C(=O)C(=O)NCC(=O)[N-]OC ZINC001333295853 808040319 /nfs/dbraw/zinc/04/03/19/808040319.db2.gz KGFSDSAAINDUQO-UHFFFAOYSA-N -1 0 307.350 -0.129 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001333296564 808040576 /nfs/dbraw/zinc/04/05/76/808040576.db2.gz ONSXXVCODZUMBT-WBMJQRKESA-N -1 0 317.345 -0.420 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1Cc2ccccc2[C@H](C)C1 ZINC001333332847 808045108 /nfs/dbraw/zinc/04/51/08/808045108.db2.gz CDYAYVXHKUUZFQ-SNVBAGLBSA-N -1 0 305.334 -0.074 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCOC[C@@H]1c1ccccc1 ZINC001333337698 808046311 /nfs/dbraw/zinc/04/63/11/808046311.db2.gz ZPPRYDLYTYBMJR-GFCCVEGCSA-N -1 0 321.333 -0.620 20 0 DBADRM CCOCCO[N-]C(=O)CN1CCC[C@H](C(=O)OC)C1=O ZINC000935454803 808046731 /nfs/dbraw/zinc/04/67/31/808046731.db2.gz OGIMOLAHMATZTG-JTQLQIEISA-N -1 0 302.327 -0.518 20 0 DBADRM COCCOCCC(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001333335270 808046862 /nfs/dbraw/zinc/04/68/62/808046862.db2.gz PREVZSIDMYJKAE-NRFANRHFSA-N -1 0 321.395 -0.136 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCOCC2(CCC2)C1 ZINC001333346130 808047766 /nfs/dbraw/zinc/04/77/66/808047766.db2.gz FXDULJTXOBMUSZ-XYPYZODXSA-N -1 0 310.350 -0.005 20 0 DBADRM Nc1cn[n-]c(=NNS(=O)(=O)N2CCOCC2)c1Cl ZINC001333419139 808057496 /nfs/dbraw/zinc/05/74/96/808057496.db2.gz OWPDTVAPJNRACX-UHFFFAOYSA-N -1 0 308.751 -0.794 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)c1ncnn1C ZINC001333494360 808069381 /nfs/dbraw/zinc/06/93/81/808069381.db2.gz CTFRIXXCGFXUDC-SECBINFHSA-N -1 0 323.353 -0.294 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)C(=O)[N-]OCC2CCC2)cc1C ZINC001333515257 808071132 /nfs/dbraw/zinc/07/11/32/808071132.db2.gz CXHPFLSTZCCVQR-UHFFFAOYSA-N -1 0 323.353 -0.276 20 0 DBADRM CO[N-]C(=O)CNC(=O)N(C)C1CCC(NC(C)=O)CC1 ZINC001333630566 808083197 /nfs/dbraw/zinc/08/31/97/808083197.db2.gz MAIDWWFXDDOYAQ-UHFFFAOYSA-N -1 0 300.359 -0.247 20 0 DBADRM COCCC(=O)N1CCC(NC(=O)[C@](C)(OC)C(=O)[O-])CC1 ZINC001333658165 808086439 /nfs/dbraw/zinc/08/64/39/808086439.db2.gz IROZZHNPVVMBMI-AWEZNQCLSA-N -1 0 316.354 -0.380 20 0 DBADRM CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001333847605 808103718 /nfs/dbraw/zinc/10/37/18/808103718.db2.gz RTPSWWRKXLEQSH-GARJFASQSA-N -1 0 311.382 -0.045 20 0 DBADRM O=C([O-])[C@@H]1Cn2cnnc2CN1S(=O)(=O)CCCCF ZINC001333860128 808104794 /nfs/dbraw/zinc/10/47/94/808104794.db2.gz TYRVSXYNSSKAFY-QMMMGPOBSA-N -1 0 306.319 -0.374 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)NC(=O)C1CC=CC1 ZINC001333870010 808106220 /nfs/dbraw/zinc/10/62/20/808106220.db2.gz NTZVTXJJWSBCSX-IUCAKERBSA-N -1 0 323.353 -0.335 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCCC[C@H](NC(=O)C2CC2)C1 ZINC000943018296 808107995 /nfs/dbraw/zinc/10/79/95/808107995.db2.gz VKDXTSUAVQLQGZ-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM CCOCCn1cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)cn1 ZINC001334163646 808137577 /nfs/dbraw/zinc/13/75/77/808137577.db2.gz DUHMXQCIYGUZFA-UHFFFAOYSA-N -1 0 311.338 -0.029 20 0 DBADRM CCn1nnc(C)c1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038325367 815177787 /nfs/dbraw/zinc/17/77/87/815177787.db2.gz PUXVTGKILPMZMC-VIFPVBQESA-N -1 0 320.357 -0.566 20 0 DBADRM CCN1C[C@@H](C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001038328493 815178689 /nfs/dbraw/zinc/17/86/89/815178689.db2.gz MKLXBRRONXOROD-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC001334313616 808151487 /nfs/dbraw/zinc/15/14/87/808151487.db2.gz IHEQSIUUASBVBC-SNVBAGLBSA-N -1 0 301.343 -0.309 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCS[C@@H](C)C1 ZINC001334322471 808152452 /nfs/dbraw/zinc/15/24/52/808152452.db2.gz CXRVDYILMYNFIO-DTWKUNHWSA-N -1 0 303.384 -0.429 20 0 DBADRM CN(CCOCCO)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001334388736 808160095 /nfs/dbraw/zinc/16/00/95/808160095.db2.gz HVMGXVISOJXHAW-UHFFFAOYSA-N -1 0 318.351 -0.880 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N(C)CCN(C)c1ccccc1 ZINC001334485914 808170067 /nfs/dbraw/zinc/17/00/67/808170067.db2.gz CPWALKALDPDMQC-UHFFFAOYSA-N -1 0 319.369 -0.077 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001334530357 808175462 /nfs/dbraw/zinc/17/54/62/808175462.db2.gz IBMRBLZWTOEBGH-GXSJLCMTSA-N -1 0 310.358 -0.256 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCO[C@H](C(F)F)C1 ZINC001334528930 808175527 /nfs/dbraw/zinc/17/55/27/808175527.db2.gz BDFCTBAQFQPPQX-ZETCQYMHSA-N -1 0 306.273 -0.789 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCS[C@@H](C(C)C)C1 ZINC001334561357 808178164 /nfs/dbraw/zinc/17/81/64/808178164.db2.gz YFCXMWUYZNHWNO-SECBINFHSA-N -1 0 300.388 -0.072 20 0 DBADRM C[C@H]1C[C@H](NC(=O)Cc2cc[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947148689 808178653 /nfs/dbraw/zinc/17/86/53/808178653.db2.gz SMJAWHXQUHVEFI-VHSXEESVSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2cn[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947484363 808198360 /nfs/dbraw/zinc/19/83/60/808198360.db2.gz LCKVIXAVVLJIPC-JGVFFNPUSA-N -1 0 306.330 -0.589 20 0 DBADRM CC(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000947580695 808205256 /nfs/dbraw/zinc/20/52/56/808205256.db2.gz QUEODFXGUPTRCJ-RKDXNWHRSA-N -1 0 311.342 -0.692 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001335040545 808227198 /nfs/dbraw/zinc/22/71/98/808227198.db2.gz HWOFDFUKPFKHGO-VXGBXAGGSA-N -1 0 324.385 -0.006 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CC[C@@H](OCCC(C)C)C1 ZINC001335042019 808227204 /nfs/dbraw/zinc/22/72/04/808227204.db2.gz XSCMTXICDJHCAA-LLVKDONJSA-N -1 0 312.374 -0.008 20 0 DBADRM CCc1nn(C)cc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038385949 815187311 /nfs/dbraw/zinc/18/73/11/815187311.db2.gz SHBYFMRVAAVSHM-VIFPVBQESA-N -1 0 319.369 -0.190 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC001335141535 808243099 /nfs/dbraw/zinc/24/30/99/808243099.db2.gz BMPJBYRKSKTFAA-GFCCVEGCSA-N -1 0 305.334 -0.204 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2ccc[nH]c2=O)CC[C@H]1C(=O)[O-] ZINC001335215259 808255481 /nfs/dbraw/zinc/25/54/81/808255481.db2.gz CMVIPCYVOFEHII-MWLCHTKSSA-N -1 0 321.333 -0.027 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCc2cn(C)cn2)CC[C@H]1C(=O)[O-] ZINC001335215935 808255687 /nfs/dbraw/zinc/25/56/87/808255687.db2.gz HOMWKRJXKMNLAT-ZYHUDNBSSA-N -1 0 322.365 -0.352 20 0 DBADRM CC[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC[C@H]1NC(C)=O ZINC000948498387 808291476 /nfs/dbraw/zinc/29/14/76/808291476.db2.gz LHOPWPLIECLYBK-CMPLNLGQSA-N -1 0 322.365 -0.137 20 0 DBADRM CC[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@@H]1NC(C)=O ZINC000948495633 808291786 /nfs/dbraw/zinc/29/17/86/808291786.db2.gz RRUOQRBLZCMOAQ-UWVGGRQHSA-N -1 0 311.342 -0.548 20 0 DBADRM CC[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000948524420 808294724 /nfs/dbraw/zinc/29/47/24/808294724.db2.gz GJKWNCVIMCYNAR-IUCAKERBSA-N -1 0 323.353 -0.734 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)c1c[n-]n2c1nccc2=O)C1CC1 ZINC000948609622 808305758 /nfs/dbraw/zinc/30/57/58/808305758.db2.gz OCWNWQMOPNSDRA-SNVBAGLBSA-N -1 0 315.333 -0.237 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC[C@H](CSC)C1 ZINC001335863868 808327147 /nfs/dbraw/zinc/32/71/47/808327147.db2.gz JWYLRODFSSQIJF-VIFPVBQESA-N -1 0 300.388 -0.070 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2cnccn2)c1[O-] ZINC000948769368 808328080 /nfs/dbraw/zinc/32/80/80/808328080.db2.gz HKDLAJLJTNXMFC-VIFPVBQESA-N -1 0 316.321 -0.142 20 0 DBADRM Cn1nccc1CN1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001038464893 815197228 /nfs/dbraw/zinc/19/72/28/815197228.db2.gz HPQQGPSEFRJMFY-MRVPVSSYSA-N -1 0 319.325 -0.979 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CCCO2)c1[O-] ZINC000948855035 808346078 /nfs/dbraw/zinc/34/60/78/808346078.db2.gz ONWBFQFZMYOTRP-ZJUUUORDSA-N -1 0 308.338 -0.067 20 0 DBADRM Cc1oncc1CN1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001038466735 815197310 /nfs/dbraw/zinc/19/73/10/815197310.db2.gz VNHJCXIQIJHSNX-VIFPVBQESA-N -1 0 320.309 -0.416 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001336136516 808346785 /nfs/dbraw/zinc/34/67/85/808346785.db2.gz HKJCAOVSIIXJOC-MNOVXSKESA-N -1 0 310.358 -0.254 20 0 DBADRM Cc1cnc(CN2CC[C@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001038465242 815197395 /nfs/dbraw/zinc/19/73/95/815197395.db2.gz LHGRHZUOKXPMJO-QMMMGPOBSA-N -1 0 320.309 -0.416 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1nccs1)c1n[nH]c(=O)[n-]c1=O ZINC001038464543 815197680 /nfs/dbraw/zinc/19/76/80/815197680.db2.gz FLWIFWVAHCRSTP-SSDOTTSWSA-N -1 0 322.350 -0.256 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccc(OC)c(C)c1 ZINC001336300544 808360018 /nfs/dbraw/zinc/36/00/18/808360018.db2.gz KKIFWSYYOQZZQY-UHFFFAOYSA-N -1 0 323.349 -0.244 20 0 DBADRM CO[C@@H]1CC[C@@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC000948954754 808365141 /nfs/dbraw/zinc/36/51/41/808365141.db2.gz RLFXVSMOKGJZRE-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(Cc2cccnc2)CC1 ZINC000949111524 808395563 /nfs/dbraw/zinc/39/55/63/808395563.db2.gz ZRPBDXPAOGNEAY-UHFFFAOYSA-N -1 0 316.321 -0.364 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC000949117049 808398349 /nfs/dbraw/zinc/39/83/49/808398349.db2.gz WSORHUXQYINMIY-RKDXNWHRSA-N -1 0 321.337 -0.967 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)NCCCCC(=O)[O-])[C@H]1CCOC1 ZINC001336962596 808427450 /nfs/dbraw/zinc/42/74/50/808427450.db2.gz XSAYPQOFPMVOHA-QWRGUYRKSA-N -1 0 316.354 -0.475 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)NCCCCC(=O)[O-])[C@@H]1CCOC1 ZINC001336962595 808427464 /nfs/dbraw/zinc/42/74/64/808427464.db2.gz XSAYPQOFPMVOHA-MNOVXSKESA-N -1 0 316.354 -0.475 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCO[C@@H](C(F)(F)F)CC1 ZINC001337219586 808441959 /nfs/dbraw/zinc/44/19/59/808441959.db2.gz VSBPVWFRAUAJNQ-SSDOTTSWSA-N -1 0 312.244 -0.243 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2ccc(N3CCCC3)nn2)C1=O ZINC001337273301 808444913 /nfs/dbraw/zinc/44/49/13/808444913.db2.gz ADGWSKBTNPOFIZ-UHFFFAOYSA-N -1 0 304.310 -0.384 20 0 DBADRM NC(=O)c1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)co1 ZINC001038557100 815207297 /nfs/dbraw/zinc/20/72/97/815207297.db2.gz ZRWRJYHJRSYCDX-MRVPVSSYSA-N -1 0 320.309 -0.794 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2cnsn2)c1[O-] ZINC000949424980 808458648 /nfs/dbraw/zinc/45/86/48/808458648.db2.gz GJWXKOUNDYLMDB-SSDOTTSWSA-N -1 0 322.350 -0.080 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCOC2)c1[O-] ZINC000949426853 808459111 /nfs/dbraw/zinc/45/91/11/808459111.db2.gz SEOOYMNSXIQLCT-UWVGGRQHSA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2n[nH]nc2C)c1[O-] ZINC000949434675 808461290 /nfs/dbraw/zinc/46/12/90/808461290.db2.gz KFZIOKBCUPKLEB-QMMMGPOBSA-N -1 0 319.325 -0.505 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)Cn2nccn2)c1[O-] ZINC000949435322 808461517 /nfs/dbraw/zinc/46/15/17/808461517.db2.gz PJXMXJYWBHCQJR-SECBINFHSA-N -1 0 319.325 -0.954 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2ccncn2)c1[O-] ZINC000949436563 808461588 /nfs/dbraw/zinc/46/15/88/808461588.db2.gz YVCAWGXVLBDSKZ-VIFPVBQESA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)C2(C(N)=O)CC2)c1[O-] ZINC000949435935 808461640 /nfs/dbraw/zinc/46/16/40/808461640.db2.gz UKUOFMSVAYHWJX-QMMMGPOBSA-N -1 0 321.337 -0.980 20 0 DBADRM COc1nc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)co1 ZINC000949504544 808473592 /nfs/dbraw/zinc/47/35/92/808473592.db2.gz VHMXAYHWSMVNJD-UHFFFAOYSA-N -1 0 308.298 -0.535 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2cncnc2)c1[O-] ZINC000949521148 808476895 /nfs/dbraw/zinc/47/68/95/808476895.db2.gz GHJMFAZKYGECBP-SNVBAGLBSA-N -1 0 316.321 -0.142 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC001337671499 808484210 /nfs/dbraw/zinc/48/42/10/808484210.db2.gz MOBZTHMIFUTBDO-UHFFFAOYSA-N -1 0 306.322 -0.636 20 0 DBADRM O=C(N[C@H]1CCCN(C(=O)C(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC000949597577 808491267 /nfs/dbraw/zinc/49/12/67/808491267.db2.gz UYCGRLKGJOXEGE-YFKPBYRVSA-N -1 0 317.252 -0.731 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCCN(C(=O)CC2CC2)C1 ZINC000949670171 808509480 /nfs/dbraw/zinc/50/94/80/808509480.db2.gz WOWLHJINYBERPP-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM CCO[C@@H]1C[C@H]1C(=O)N(CC)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949716458 808522993 /nfs/dbraw/zinc/52/29/93/808522993.db2.gz UYTGLFJOSZBQEM-GHMZBOCLSA-N -1 0 309.370 -0.032 20 0 DBADRM CCCC(=O)N1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000949743023 808529533 /nfs/dbraw/zinc/52/95/33/808529533.db2.gz PUVVNLDWJKWJSL-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM CCN(C(=O)c1cc(C)nn1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949744812 808531196 /nfs/dbraw/zinc/53/11/96/808531196.db2.gz XUOPGHCFBBVWSC-UHFFFAOYSA-N -1 0 319.369 -0.101 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)C(=O)NCC(=O)[N-]OC)C(F)(F)F ZINC001338440469 808542476 /nfs/dbraw/zinc/54/24/76/808542476.db2.gz PFZZFVMPRMOKRU-POYBYMJQSA-N -1 0 313.276 -0.127 20 0 DBADRM CC(C)C(=O)Nc1cccc(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC001338724102 808565742 /nfs/dbraw/zinc/56/57/42/808565742.db2.gz MIXCBPAEEFOTDH-UHFFFAOYSA-N -1 0 322.321 -0.247 20 0 DBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)[N-]OC[C@H]1CCOC1 ZINC001338845787 808569777 /nfs/dbraw/zinc/56/97/77/808569777.db2.gz MGKUCKZGCCYVOI-VHSXEESVSA-N -1 0 309.409 -0.009 20 0 DBADRM CCN(C(=O)c1cnn(CC)n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950023819 808579406 /nfs/dbraw/zinc/57/94/06/808579406.db2.gz SLCHPLBLPBZYEN-UHFFFAOYSA-N -1 0 320.357 -0.532 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1=CCN(C(=O)C2CC2)CC1 ZINC001339546431 808593219 /nfs/dbraw/zinc/59/32/19/808593219.db2.gz SSVFLFWTNBMWHO-UHFFFAOYSA-N -1 0 321.337 -0.626 20 0 DBADRM CCO[C@H]1CCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001339941045 808610839 /nfs/dbraw/zinc/61/08/39/808610839.db2.gz XIOCPAWDHRALQX-NSHDSACASA-N -1 0 304.343 -0.075 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC(NC(=O)C(C)C)CC1 ZINC001340145269 808623885 /nfs/dbraw/zinc/62/38/85/808623885.db2.gz CNFPDOZXPHPEEW-UHFFFAOYSA-N -1 0 300.359 -0.390 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)[C@]23C[C@H]2COC3)c1[O-] ZINC000950343768 808634580 /nfs/dbraw/zinc/63/45/80/808634580.db2.gz ZTOVDSCNKYHGFI-WMFXKJRFSA-N -1 0 320.349 -0.209 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC000950387084 808637947 /nfs/dbraw/zinc/63/79/47/808637947.db2.gz LYZUCTNNWFNJSP-SECBINFHSA-N -1 0 320.309 -0.952 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC(O[C@@H]2CCOC2)CC1 ZINC001340484147 808639646 /nfs/dbraw/zinc/63/96/46/808639646.db2.gz ODHSTHOEPBGBRO-LLVKDONJSA-N -1 0 301.343 -0.357 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCN1C(=O)Cc2ccccc21 ZINC001340541491 808642340 /nfs/dbraw/zinc/64/23/40/808642340.db2.gz SOSNXILWNYZYIC-UHFFFAOYSA-N -1 0 306.322 -0.448 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCc2c1cccc2C ZINC001340954207 808664043 /nfs/dbraw/zinc/66/40/43/808664043.db2.gz GTTJSOJRGVQCCY-LBPRGKRZSA-N -1 0 305.334 -0.108 20 0 DBADRM CCN(C(=O)C1CC(OC)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950577897 808676608 /nfs/dbraw/zinc/67/66/08/808676608.db2.gz OSEVZBBYRBQXCR-UHFFFAOYSA-N -1 0 309.370 -0.032 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC1(C)Cc2ccccc2C1 ZINC001341265682 808676940 /nfs/dbraw/zinc/67/69/40/808676940.db2.gz MEDGVCCDPLYJRY-UHFFFAOYSA-N -1 0 319.361 -0.299 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC001341326756 808679669 /nfs/dbraw/zinc/67/96/69/808679669.db2.gz OVLDDLXBTKRLPM-QWRGUYRKSA-N -1 0 311.338 -0.508 20 0 DBADRM Cc1cccc2c1C[C@H](NC(=O)[C@]1(C(=O)[O-])C[NH2+]CCO1)CO2 ZINC001341452443 808685727 /nfs/dbraw/zinc/68/57/27/808685727.db2.gz UCDRMRMIMMHIGV-ZBEGNZNMSA-N -1 0 320.345 -0.142 20 0 DBADRM CC(C)[NH+]1CCN(C(=O)NCCOCCOCC(=O)[O-])CC1 ZINC001341452349 808685739 /nfs/dbraw/zinc/68/57/39/808685739.db2.gz RJSKFWRSTVEDKP-UHFFFAOYSA-N -1 0 317.386 -0.160 20 0 DBADRM CCN(C(=O)[C@@H]1CO[C@H](C)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950666280 808691844 /nfs/dbraw/zinc/69/18/44/808691844.db2.gz FUARKRQQITXRDN-ZJUUUORDSA-N -1 0 309.370 -0.032 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)[N-]OC2CCOCC2)CCSC1 ZINC001341895324 808704316 /nfs/dbraw/zinc/70/43/16/808704316.db2.gz SKARPZLWDFNBGI-ZDUSSCGKSA-N -1 0 318.395 -0.149 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)NCC(=O)[N-]OC)[C@@H](CC)CO1 ZINC001342028990 808712406 /nfs/dbraw/zinc/71/24/06/808712406.db2.gz AVISPNDXBRKGOU-VHSXEESVSA-N -1 0 301.343 -0.804 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC2CC1(c1ccccc1)C2 ZINC001342031228 808712758 /nfs/dbraw/zinc/71/27/58/808712758.db2.gz ZEFBMBFBCHALBY-UHFFFAOYSA-N -1 0 317.345 -0.072 20 0 DBADRM CCC[C@@]1(COC)CCCN1C(=O)C(=O)NCC(=O)[N-]OC ZINC001342029719 808712768 /nfs/dbraw/zinc/71/27/68/808712768.db2.gz LVZMLYUDZQTLFC-AWEZNQCLSA-N -1 0 315.370 -0.412 20 0 DBADRM C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1NC(=O)c1cn[nH]n1 ZINC000950911029 808731520 /nfs/dbraw/zinc/73/15/20/808731520.db2.gz VCSBAPMGHCUZNA-PSASIEDQSA-N -1 0 303.326 -0.571 20 0 DBADRM CCN(C(=O)[C@H]1C[C@H](C)CO1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950920427 808733003 /nfs/dbraw/zinc/73/30/03/808733003.db2.gz UOZXLTZNCOGABA-GXSJLCMTSA-N -1 0 309.370 -0.032 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)C(=O)[N-]OCCCOC)cc1 ZINC001342555694 808735196 /nfs/dbraw/zinc/73/51/96/808735196.db2.gz QWYXHEYPLQKJMW-UHFFFAOYSA-N -1 0 323.349 -0.002 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001342655693 808738668 /nfs/dbraw/zinc/73/86/68/808738668.db2.gz AZVBTRWLKIFVIJ-QWRGUYRKSA-N -1 0 304.343 -0.762 20 0 DBADRM CCN(C(=O)c1csnn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000951004459 808751727 /nfs/dbraw/zinc/75/17/27/808751727.db2.gz NCVHDRBTDUCRRK-UHFFFAOYSA-N -1 0 309.355 -0.292 20 0 DBADRM CCN(C(=O)[C@H]1CC[C@H]1C(N)=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000951126357 808770449 /nfs/dbraw/zinc/77/04/49/808770449.db2.gz PTVPPAWYZMQLRG-ZJUUUORDSA-N -1 0 322.369 -0.946 20 0 DBADRM CC1CC(C(=O)N2CC[C@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000951297596 808794523 /nfs/dbraw/zinc/79/45/23/808794523.db2.gz FHQDIMFOTXDSGF-HACHORDNSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)[C@@H]1CC12CC2)c1n[nH]c(=O)[n-]c1=O ZINC000951298358 808794641 /nfs/dbraw/zinc/79/46/41/808794641.db2.gz XBPSPUUHLFEXKY-YUMQZZPRSA-N -1 0 319.321 -0.586 20 0 DBADRM CC(C)[C@H](C)C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297817 808794703 /nfs/dbraw/zinc/79/47/03/808794703.db2.gz KLRVEXAMIAGBIZ-IUCAKERBSA-N -1 0 323.353 -0.094 20 0 DBADRM CCC1(C(=O)N2CC[C@@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000951298427 808794809 /nfs/dbraw/zinc/79/48/09/808794809.db2.gz YHCTVWQEZTVZET-MRVPVSSYSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(CC1CC1)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951296250 808794852 /nfs/dbraw/zinc/79/48/52/808794852.db2.gz RIUZKEPPOIAOOU-MRVPVSSYSA-N -1 0 307.310 -0.586 20 0 DBADRM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC000951298395 808794882 /nfs/dbraw/zinc/79/48/82/808794882.db2.gz XSEICOUENOXMOR-APPZFPTMSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)[C@@H]1CC12CC2)c1n[nH]c(=O)[n-]c1=O ZINC000951298357 808794991 /nfs/dbraw/zinc/79/49/91/808794991.db2.gz XBPSPUUHLFEXKY-SFYZADRCSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)c1cc[nH]c1)c1n[nH]c(=O)[n-]c1=O ZINC000951300065 808795728 /nfs/dbraw/zinc/79/57/28/808795728.db2.gz INFBBNDGQXUNBC-MRVPVSSYSA-N -1 0 318.293 -0.745 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951300619 808795816 /nfs/dbraw/zinc/79/58/16/808795816.db2.gz VEBKUQDMOKJFCB-GJMOJQLCSA-N -1 0 307.310 -0.731 20 0 DBADRM CCCC(=O)N1CC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951451201 808820635 /nfs/dbraw/zinc/82/06/35/808820635.db2.gz RZDYLYCUDARHGK-VIFPVBQESA-N -1 0 308.338 -0.383 20 0 DBADRM O=C(N[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCC1 ZINC000951462330 808824742 /nfs/dbraw/zinc/82/47/42/808824742.db2.gz ZSFYWSDJTNXHAO-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000951479241 808831818 /nfs/dbraw/zinc/83/18/18/808831818.db2.gz ACRVVSDANJVITB-HRDYMLBCSA-N -1 0 309.326 -0.938 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000951479242 808831827 /nfs/dbraw/zinc/83/18/27/808831827.db2.gz ACRVVSDANJVITB-IWSPIJDZSA-N -1 0 309.326 -0.938 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000951476550 808831887 /nfs/dbraw/zinc/83/18/87/808831887.db2.gz GRDXKVIYGCNXDX-OPRDCNLKSA-N -1 0 320.349 -0.527 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](NC(=O)C(F)F)C1 ZINC000951511956 808835510 /nfs/dbraw/zinc/83/55/10/808835510.db2.gz BGTIYNQBGBZFKQ-ZCFIWIBFSA-N -1 0 319.268 -0.938 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2ccncn2)c1[O-] ZINC000951740156 808888097 /nfs/dbraw/zinc/88/80/97/808888097.db2.gz JMSITZKKLYFAEB-VIFPVBQESA-N -1 0 316.321 -0.142 20 0 DBADRM NC(=O)CN1CC[C@@H]1CNC(=O)c1n[n-]c2ccccc2c1=O ZINC001038763829 815244151 /nfs/dbraw/zinc/24/41/51/815244151.db2.gz HUNHIIUVZVSWIC-SECBINFHSA-N -1 0 315.333 -0.375 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)nc(C)n1 ZINC001038809835 815250532 /nfs/dbraw/zinc/25/05/32/815250532.db2.gz XKQDSYZMORXQHV-JTQLQIEISA-N -1 0 317.353 -0.079 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CCN(C(=O)CC(N)=O)CC2)c1[O-] ZINC000952240153 808976318 /nfs/dbraw/zinc/97/63/18/808976318.db2.gz LMNFZOWGOIRMNK-UHFFFAOYSA-N -1 0 323.353 -0.732 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CC12CC2 ZINC000952248586 808978492 /nfs/dbraw/zinc/97/84/92/808978492.db2.gz NLIOENKUOAUZLS-HTQZYQBOSA-N -1 0 319.321 -0.586 20 0 DBADRM CCN(C(=O)c1c[n-]n2c1nccc2=O)C1CN(C[C@H](C)O)C1 ZINC000952417831 808988961 /nfs/dbraw/zinc/98/89/61/808988961.db2.gz DDEFMLSOTCSKTN-JTQLQIEISA-N -1 0 319.365 -0.450 20 0 DBADRM C[C@@]1(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCCOC1 ZINC000952449898 808991688 /nfs/dbraw/zinc/99/16/88/808991688.db2.gz LQZFSGZEFFOCJK-CQSZACIVSA-N -1 0 309.370 -0.029 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)c1[O-] ZINC000952589351 808997346 /nfs/dbraw/zinc/99/73/46/808997346.db2.gz QYDNKUJYYPNVNA-BDAKNGLRSA-N -1 0 321.337 -0.885 20 0 DBADRM CC(=O)N1CC[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000953247404 809026403 /nfs/dbraw/zinc/02/64/03/809026403.db2.gz WWMZQMUMGISEFM-DTWKUNHWSA-N -1 0 307.310 -0.634 20 0 DBADRM CCC(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000953387068 809038550 /nfs/dbraw/zinc/03/85/50/809038550.db2.gz SCZBYJITNVEMPT-VHSXEESVSA-N -1 0 323.353 -0.451 20 0 DBADRM CCC(=O)N1CC[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000953399813 809039232 /nfs/dbraw/zinc/03/92/32/809039232.db2.gz BARRNJTWGPFAKM-IUCAKERBSA-N -1 0 321.337 -0.244 20 0 DBADRM CCC(=O)N(C)C1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000953419538 809041921 /nfs/dbraw/zinc/04/19/21/809041921.db2.gz GGHWLCWMWTUTND-UHFFFAOYSA-N -1 0 309.326 -0.705 20 0 DBADRM CN(C(=O)C1CC1)C1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000953473203 809050548 /nfs/dbraw/zinc/05/05/48/809050548.db2.gz WDKFIUGMYLLHTJ-UHFFFAOYSA-N -1 0 321.337 -0.705 20 0 DBADRM CC(=O)N[C@H](C)[C@@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000953637882 809060527 /nfs/dbraw/zinc/06/05/27/809060527.db2.gz PMXNTGHNMWWXMS-SCZZXKLOSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(C)n1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001038852539 815258621 /nfs/dbraw/zinc/25/86/21/815258621.db2.gz IDBWTBLFOWQUDP-SECBINFHSA-N -1 0 320.357 -0.313 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H]2CCCCN2C(=O)C(N)=O)c1[O-] ZINC000953650049 809064182 /nfs/dbraw/zinc/06/41/82/809064182.db2.gz XGNXWMAFPGJYIQ-VXNVDRBHSA-N -1 0 323.353 -0.592 20 0 DBADRM CN(C(=O)C1CC1)C1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000953681020 809071170 /nfs/dbraw/zinc/07/11/70/809071170.db2.gz BREMPFQPBBRLSQ-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM CC(C)C(=O)N(C)C1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000953757988 809081914 /nfs/dbraw/zinc/08/19/14/809081914.db2.gz BAXLLNPFYUHNRS-UHFFFAOYSA-N -1 0 323.353 -0.459 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CCN(C(=O)CC(N)=O)CC2)c1[O-] ZINC000953869344 809110528 /nfs/dbraw/zinc/11/05/28/809110528.db2.gz RYIDLPFKSJMWNL-UHFFFAOYSA-N -1 0 323.353 -0.638 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)[C@H](O)C(C)C)C2)c1[O-] ZINC000954070361 809154307 /nfs/dbraw/zinc/15/43/07/809154307.db2.gz RYCYGCVKOHMOPE-LLVKDONJSA-N -1 0 310.354 -0.277 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)[C@@H]3CCCO3)C2)c1[O-] ZINC000954068398 809154366 /nfs/dbraw/zinc/15/43/66/809154366.db2.gz NDSZNTXVOOYDNQ-JTQLQIEISA-N -1 0 308.338 -0.114 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3cnn(C)n3)C2)c1[O-] ZINC000954070517 809154672 /nfs/dbraw/zinc/15/46/72/809154672.db2.gz VHKDUTYFHHTZDF-UHFFFAOYSA-N -1 0 319.325 -0.851 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3cnon3)C2)c1[O-] ZINC000954069708 809154770 /nfs/dbraw/zinc/15/47/70/809154770.db2.gz AXDQVYUICAFYDL-UHFFFAOYSA-N -1 0 306.282 -0.597 20 0 DBADRM COCc1nocc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038916140 815266509 /nfs/dbraw/zinc/26/65/09/815266509.db2.gz YKSWHEKAMQWBFX-QMMMGPOBSA-N -1 0 322.325 -0.351 20 0 DBADRM CCC(=O)N1CC(N(C)C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000954306806 809210276 /nfs/dbraw/zinc/21/02/76/809210276.db2.gz MXKXLSFLYPDIMY-UHFFFAOYSA-N -1 0 303.322 -0.285 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3ccn(C)n3)C2)c1[O-] ZINC000954317590 809212179 /nfs/dbraw/zinc/21/21/79/809212179.db2.gz OWPRYAWJRWUELJ-UHFFFAOYSA-N -1 0 318.337 -0.246 20 0 DBADRM COc1cccnc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038957217 815272410 /nfs/dbraw/zinc/27/24/10/815272410.db2.gz LRQVXWJPSOEMAO-VIFPVBQESA-N -1 0 318.337 -0.082 20 0 DBADRM CCc1nc[nH]c1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038978189 815275203 /nfs/dbraw/zinc/27/52/03/815275203.db2.gz CBZBHMBTKYJFSW-QMMMGPOBSA-N -1 0 305.342 -0.200 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3cncn3C)C2)c1[O-] ZINC000954693377 809272234 /nfs/dbraw/zinc/27/22/34/809272234.db2.gz ROLMRRQJUBUKPH-UHFFFAOYSA-N -1 0 318.337 -0.246 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C2=CCCC2)C1 ZINC000954876451 809304632 /nfs/dbraw/zinc/30/46/32/809304632.db2.gz CRXYRWJCEDUMTD-UHFFFAOYSA-N -1 0 319.321 -0.324 20 0 DBADRM CC(C)[C@H](C)C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954879604 809305203 /nfs/dbraw/zinc/30/52/03/809305203.db2.gz LDFIMUCIIMRCFI-QMMMGPOBSA-N -1 0 323.353 -0.142 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954934087 809311308 /nfs/dbraw/zinc/31/13/08/809311308.db2.gz RPSZYANYXAMIBK-BDAKNGLRSA-N -1 0 323.353 -0.595 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954934090 809311675 /nfs/dbraw/zinc/31/16/75/809311675.db2.gz RPSZYANYXAMIBK-RKDXNWHRSA-N -1 0 323.353 -0.595 20 0 DBADRM C/C=C(\C)C(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954934203 809311862 /nfs/dbraw/zinc/31/18/62/809311862.db2.gz WPLVPUMSXWJHBI-XBXARRHUSA-N -1 0 309.326 -0.675 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000955218486 809379398 /nfs/dbraw/zinc/37/93/98/809379398.db2.gz ZDARYPIODVMCDA-DTWKUNHWSA-N -1 0 323.353 -0.595 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000955401155 809411402 /nfs/dbraw/zinc/41/14/02/809411402.db2.gz STGOOVNCQOVQDP-PSASIEDQSA-N -1 0 323.353 -0.595 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC000955446221 809418770 /nfs/dbraw/zinc/41/87/70/809418770.db2.gz BHPFCDXWODNWLC-DTWKUNHWSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC000955462226 809420183 /nfs/dbraw/zinc/42/01/83/809420183.db2.gz PYQNPXVFSDWVPB-PSASIEDQSA-N -1 0 308.338 -0.385 20 0 DBADRM CCC(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](C)C1 ZINC000955762068 809441986 /nfs/dbraw/zinc/44/19/86/809441986.db2.gz PZMMGJFJZCCHEJ-RKDXNWHRSA-N -1 0 311.342 -0.405 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C2CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000955763561 809442741 /nfs/dbraw/zinc/44/27/41/809442741.db2.gz VJJCJLXSJZZBLH-SCZZXKLOSA-N -1 0 323.353 -0.405 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)CCC1=O ZINC001039060579 815289258 /nfs/dbraw/zinc/28/92/58/815289258.db2.gz UDYKTPXPIUBWRN-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@H](C)C2)c1[O-] ZINC000955798492 809448887 /nfs/dbraw/zinc/44/88/87/809448887.db2.gz YHCDBFAZOIJGJE-HTRCEHHLSA-N -1 0 309.326 -0.982 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)c2nc[nH]n2)c1[O-] ZINC000956150396 809491436 /nfs/dbraw/zinc/49/14/36/809491436.db2.gz ZALGCPWOYFLMLW-QMMMGPOBSA-N -1 0 319.325 -0.424 20 0 DBADRM CC(=O)N[C@]1(C)CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000956620861 809530634 /nfs/dbraw/zinc/53/06/34/809530634.db2.gz UJQZHKWOTHOXKR-CQSZACIVSA-N -1 0 318.337 -0.802 20 0 DBADRM CC(=O)N[C@@]1(C)CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000956620860 809530857 /nfs/dbraw/zinc/53/08/57/809530857.db2.gz UJQZHKWOTHOXKR-AWEZNQCLSA-N -1 0 318.337 -0.802 20 0 DBADRM C[C@@]1(NC(=O)C2CCC2)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000956624087 809531483 /nfs/dbraw/zinc/53/14/83/809531483.db2.gz BWAKCMZHCSULBL-CQSZACIVSA-N -1 0 321.337 -0.196 20 0 DBADRM COCc1nc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)co1 ZINC000956958096 809573187 /nfs/dbraw/zinc/57/31/87/809573187.db2.gz JIMMHRGNIKAOEG-UHFFFAOYSA-N -1 0 322.325 -0.397 20 0 DBADRM O=C([C@@H]1C[C@]12CCOC2)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957110896 809586581 /nfs/dbraw/zinc/58/65/81/809586581.db2.gz WVUWGZOVEPBKFB-HZMBPMFUSA-N -1 0 307.354 -0.419 20 0 DBADRM O=C([C@@H]1C[C@@]12CCOC2)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957110897 809586607 /nfs/dbraw/zinc/58/66/07/809586607.db2.gz WVUWGZOVEPBKFB-IINYFYTJSA-N -1 0 307.354 -0.419 20 0 DBADRM CCN(C(=O)[C@@H]1C[C@]12CCOC2)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000957111067 809587933 /nfs/dbraw/zinc/58/79/33/809587933.db2.gz AWLHSCPGXUUXJL-NHYWBVRUSA-N -1 0 321.381 -0.030 20 0 DBADRM C[C@@]1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(C(=O)C2CCC2)C1 ZINC000957235543 809608198 /nfs/dbraw/zinc/60/81/98/809608198.db2.gz GIXNDPIMNFBQCH-CQSZACIVSA-N -1 0 321.337 -0.196 20 0 DBADRM CC(C)=CC(=O)N1CC[C@@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957235627 809608285 /nfs/dbraw/zinc/60/82/85/809608285.db2.gz IPNIJJVLYRKLEX-CQSZACIVSA-N -1 0 321.337 -0.030 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957273694 809615087 /nfs/dbraw/zinc/61/50/87/809615087.db2.gz IBBFVOBUFMHIOF-WFEFGEHDSA-N -1 0 321.337 -0.340 20 0 DBADRM CCN(C(=O)c1ccc(=O)[nH]c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000957352218 809631450 /nfs/dbraw/zinc/63/14/50/809631450.db2.gz UWHPYZWXJXLRMO-UHFFFAOYSA-N -1 0 318.337 -0.043 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C1CC1 ZINC000957364430 809633378 /nfs/dbraw/zinc/63/33/78/809633378.db2.gz YSVWPZOJRXEMOS-HTRCEHHLSA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)CC1CC1 ZINC000957525548 809652766 /nfs/dbraw/zinc/65/27/66/809652766.db2.gz GPZLXFKJZGOQAC-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC000957823095 809683335 /nfs/dbraw/zinc/68/33/35/809683335.db2.gz YEQKBLLPFOHMSS-GUBZILKMSA-N -1 0 323.353 -0.405 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccccc1 ZINC000957826079 809684672 /nfs/dbraw/zinc/68/46/72/809684672.db2.gz NJLZPQPBOKKIFQ-NEPJUHHUSA-N -1 0 317.349 -0.267 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)no1 ZINC000957848359 809690305 /nfs/dbraw/zinc/69/03/05/809690305.db2.gz XWTOIACGQPCTEN-PSASIEDQSA-N -1 0 322.325 -0.971 20 0 DBADRM Cc1ccc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)o1 ZINC000957851942 809691642 /nfs/dbraw/zinc/69/16/42/809691642.db2.gz PGCBJHUBODJUEX-UWVGGRQHSA-N -1 0 321.337 -0.366 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccsc1 ZINC000957859649 809694441 /nfs/dbraw/zinc/69/44/41/809694441.db2.gz SJAOTSAGNKZJQB-NXEZZACHSA-N -1 0 323.378 -0.206 20 0 DBADRM Cc1ccoc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000957859118 809694808 /nfs/dbraw/zinc/69/48/08/809694808.db2.gz LJIPGKNECVYCSJ-UWVGGRQHSA-N -1 0 321.337 -0.366 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccoc1 ZINC000957878362 809699073 /nfs/dbraw/zinc/69/90/73/809699073.db2.gz LBMLIKGHMPWBKQ-UWVGGRQHSA-N -1 0 307.310 -0.674 20 0 DBADRM Cc1[nH]ccc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000957947689 809726267 /nfs/dbraw/zinc/72/62/67/809726267.db2.gz MRHDIIXMRNUFFY-KOLCDFICSA-N -1 0 320.353 -0.630 20 0 DBADRM Cc1ncoc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000957965655 809730023 /nfs/dbraw/zinc/73/00/23/809730023.db2.gz MAACHEOWQQVPEV-BDAKNGLRSA-N -1 0 322.325 -0.971 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccsn1 ZINC000958175243 809794740 /nfs/dbraw/zinc/79/47/40/809794740.db2.gz KVQBLRYMAXWHEX-VXNVDRBHSA-N -1 0 324.366 -0.811 20 0 DBADRM O=C(C[C@H]1CCCO1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958307408 809853383 /nfs/dbraw/zinc/85/33/83/809853383.db2.gz PISKRHGLJQNUHY-DNJQJEMRSA-N -1 0 307.354 -0.374 20 0 DBADRM Cc1cocc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000958327076 809863357 /nfs/dbraw/zinc/86/33/57/809863357.db2.gz ZQOQBCUYLFUSNX-KOLCDFICSA-N -1 0 321.337 -0.366 20 0 DBADRM Cc1cocc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958327075 809863835 /nfs/dbraw/zinc/86/38/35/809863835.db2.gz ZQOQBCUYLFUSNX-GXSJLCMTSA-N -1 0 321.337 -0.366 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)nn1C ZINC000958341077 809866570 /nfs/dbraw/zinc/86/65/70/809866570.db2.gz YXBZSZNSKMAQMJ-GDGBQDQQSA-N -1 0 317.353 -0.588 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)n(C)n1 ZINC000958345114 809870396 /nfs/dbraw/zinc/87/03/96/809870396.db2.gz WLAZXOIYNOAVEU-GDGBQDQQSA-N -1 0 317.353 -0.588 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC2(CC2)C1 ZINC000958399041 809893514 /nfs/dbraw/zinc/89/35/14/809893514.db2.gz IUIZDPMDSHQQCZ-MNOVXSKESA-N -1 0 321.381 -0.391 20 0 DBADRM O=C(Cc1ccon1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958440213 809911285 /nfs/dbraw/zinc/91/12/85/809911285.db2.gz JPRWBEQPYGRZKQ-GDGBQDQQSA-N -1 0 304.310 -0.713 20 0 DBADRM O=C(NC[C@H]1CN(CCF)C[C@@H]1O)c1c[n-]n2c1nccc2=O ZINC000958468516 809922257 /nfs/dbraw/zinc/92/22/57/809922257.db2.gz YWEVEBWCPCZFPS-ONGXEEELSA-N -1 0 323.328 -0.985 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cncc(F)c1 ZINC000958553322 809954663 /nfs/dbraw/zinc/95/46/63/809954663.db2.gz ZJJNKESTXCXIHV-IAZYJMLFSA-N -1 0 318.312 -0.095 20 0 DBADRM Cc1cnoc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958563446 809957561 /nfs/dbraw/zinc/95/75/61/809957561.db2.gz NQODQBNBDSXAHO-DTWKUNHWSA-N -1 0 322.325 -0.971 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(Cc4cnon4)C[C@H]32)c1[O-] ZINC000958584940 809967569 /nfs/dbraw/zinc/96/75/69/809967569.db2.gz WIMYVHDRKKXGQG-MYJAWHEDSA-N -1 0 304.310 -0.333 20 0 DBADRM O=C(NC[C@H]1CN(CCF)C[C@@H]1O)c1ccc2oc(=O)nc-2[n-]1 ZINC000958583962 809967594 /nfs/dbraw/zinc/96/75/94/809967594.db2.gz MKZOXJUQQMJWAA-WPRPVWTQSA-N -1 0 324.312 -0.080 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C(C)C)C2)c1[O-] ZINC000958629113 809983816 /nfs/dbraw/zinc/98/38/16/809983816.db2.gz GKDXCOCIPRMQBM-UWVGGRQHSA-N -1 0 310.354 -0.277 20 0 DBADRM CCC(=O)N1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC000959299987 810093688 /nfs/dbraw/zinc/09/36/88/810093688.db2.gz ZVSWFGGAOXVLBI-HTQZYQBOSA-N -1 0 309.326 -0.483 20 0 DBADRM CCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000959292179 810093954 /nfs/dbraw/zinc/09/39/54/810093954.db2.gz FYYUEMDGFLBXBE-ZJUUUORDSA-N -1 0 322.365 -0.280 20 0 DBADRM CCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000959337510 810096418 /nfs/dbraw/zinc/09/64/18/810096418.db2.gz JYYAZRAAKPAHAM-IUCAKERBSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C)c1[O-] ZINC000959408528 810099101 /nfs/dbraw/zinc/09/91/01/810099101.db2.gz FOXSEUGXOWAGSO-IONNQARKSA-N -1 0 323.353 -0.877 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000959869205 810132680 /nfs/dbraw/zinc/13/26/80/810132680.db2.gz UBUSBIBWWLIYOT-GDGBQDQQSA-N -1 0 317.353 -0.588 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)C1=COCCO1 ZINC000960389613 810172097 /nfs/dbraw/zinc/17/20/97/810172097.db2.gz HZQRHMJFMGUKCQ-SNVBAGLBSA-N -1 0 323.353 -0.179 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)C1=COCCO1 ZINC000960389604 810172287 /nfs/dbraw/zinc/17/22/87/810172287.db2.gz HZQRHMJFMGUKCQ-JTQLQIEISA-N -1 0 323.353 -0.179 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC000960472902 810178343 /nfs/dbraw/zinc/17/83/43/810178343.db2.gz OACBUQROWHJBLA-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)C(C)(C)C(N)=O ZINC000960682741 810192098 /nfs/dbraw/zinc/19/20/98/810192098.db2.gz YUUVYLNGOGCMME-VIFPVBQESA-N -1 0 324.385 -0.555 20 0 DBADRM Cc1nonc1C(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC000961058810 810220962 /nfs/dbraw/zinc/22/09/62/810220962.db2.gz QCZVYTQMNRZKHT-SECBINFHSA-N -1 0 321.341 -0.062 20 0 DBADRM O=C(N[C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@@H]1O)C(F)F ZINC000961073398 810224642 /nfs/dbraw/zinc/22/46/42/810224642.db2.gz FDGMLMRVUGUQTC-VDTYLAMSSA-N -1 0 324.234 -0.155 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)CC3CC3)[C@@H](O)C2)c1[O-] ZINC000961134558 810234755 /nfs/dbraw/zinc/23/47/55/810234755.db2.gz GXGXMDCPKXHWCL-ZJUUUORDSA-N -1 0 308.338 -0.475 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C(C)(C)F)[C@@H](O)C2)c1[O-] ZINC000961141041 810235844 /nfs/dbraw/zinc/23/58/44/810235844.db2.gz KLGFWPORAYAUII-SFYZADRCSA-N -1 0 314.317 -0.527 20 0 DBADRM Cc1ncc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)n1C ZINC000961591811 810316327 /nfs/dbraw/zinc/31/63/27/810316327.db2.gz UARLXKMKSGRAOM-GDGBQDQQSA-N -1 0 317.353 -0.588 20 0 DBADRM O=C(CC1=CCOCC1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000961698147 810347099 /nfs/dbraw/zinc/34/70/99/810347099.db2.gz RCBIRAZWWWJGLZ-YABSGUDNSA-N -1 0 319.365 -0.207 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CC(CNCc3nnn(C)n3)C2)c1[O-] ZINC000961719184 810353514 /nfs/dbraw/zinc/35/35/14/810353514.db2.gz IGVUIBCPIHJEJB-UHFFFAOYSA-N -1 0 320.357 -0.755 20 0 DBADRM Cc1ccnn1CC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000961930173 810405732 /nfs/dbraw/zinc/40/57/32/810405732.db2.gz KZYZHMLEUOTCNB-IWIIMEHWSA-N -1 0 317.353 -0.738 20 0 DBADRM Cc1n[nH]c(C)c1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000962055011 810433957 /nfs/dbraw/zinc/43/39/57/810433957.db2.gz BYBMRVVAXNUPPR-GDGBQDQQSA-N -1 0 317.353 -0.290 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1[C@H]2CN(CCF)C[C@H]21 ZINC000962069943 810436914 /nfs/dbraw/zinc/43/69/14/810436914.db2.gz YJGLRHWSNAOUKC-IAZYJMLFSA-N -1 0 320.328 -0.913 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3CC=CC3)C[C@@H]2O)c1[O-] ZINC000962304132 810503032 /nfs/dbraw/zinc/50/30/32/810503032.db2.gz RKOOLPOQRLJZAN-MNOVXSKESA-N -1 0 320.349 -0.309 20 0 DBADRM O=C(Cc1c[nH]cn1)NC1CC(C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC000962360925 810514515 /nfs/dbraw/zinc/51/45/15/810514515.db2.gz BLIJDAAKTDDHEZ-UHFFFAOYSA-N -1 0 305.342 -0.540 20 0 DBADRM CCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000962520881 810544500 /nfs/dbraw/zinc/54/45/00/810544500.db2.gz SNYYCTZNEURPPZ-UWVGGRQHSA-N -1 0 323.353 -0.309 20 0 DBADRM CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000963412815 810626374 /nfs/dbraw/zinc/62/63/74/810626374.db2.gz HCUHIAOELKIYIZ-RKDXNWHRSA-N -1 0 307.310 -0.492 20 0 DBADRM CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000963429712 810627549 /nfs/dbraw/zinc/62/75/49/810627549.db2.gz OPSGYPDUUFQZCC-ZJUUUORDSA-N -1 0 309.326 -0.699 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CC23CCN(C(=O)C(N)=O)CC3)c1[O-] ZINC000963626811 810648126 /nfs/dbraw/zinc/64/81/26/810648126.db2.gz WPOPMGZIZWSSIJ-QMMMGPOBSA-N -1 0 321.337 -0.980 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CC23CCN(C(=O)C(N)=O)CC3)c1[O-] ZINC000963626810 810648396 /nfs/dbraw/zinc/64/83/96/810648396.db2.gz WPOPMGZIZWSSIJ-MRVPVSSYSA-N -1 0 321.337 -0.980 20 0 DBADRM CC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000963983979 810671701 /nfs/dbraw/zinc/67/17/01/810671701.db2.gz GBSAQTMIULCRBR-MGCOHNPYSA-N -1 0 311.342 -0.500 20 0 DBADRM CC(=O)NC[C@H]1CCCCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC000964527865 810782413 /nfs/dbraw/zinc/78/24/13/810782413.db2.gz AMRWDIVCLCJFHM-SNVBAGLBSA-N -1 0 323.353 -0.267 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCCN2C(=O)C(N)=O)c1[O-] ZINC000964575642 810787880 /nfs/dbraw/zinc/78/78/80/810787880.db2.gz UNAZKIVBIJPTBU-MRVPVSSYSA-N -1 0 309.326 -0.980 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H](NC(=O)C2CC2)CC1 ZINC000964656935 810794015 /nfs/dbraw/zinc/79/40/15/810794015.db2.gz AJOWIYSHWKXWST-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](NC(=O)C2CC2)CC1 ZINC000964656937 810794023 /nfs/dbraw/zinc/79/40/23/810794023.db2.gz AJOWIYSHWKXWST-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1=COCCO1 ZINC000964708317 810795780 /nfs/dbraw/zinc/79/57/80/810795780.db2.gz FYZYZZOFXKQJQT-VHSXEESVSA-N -1 0 323.353 -0.275 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnccn1 ZINC000964778404 810800419 /nfs/dbraw/zinc/80/04/19/810800419.db2.gz YQKMSARIBMWHMM-GXSJLCMTSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cn1cccn1 ZINC000965149690 810839069 /nfs/dbraw/zinc/83/90/69/810839069.db2.gz JGTVBRKJCSKNMQ-QWRGUYRKSA-N -1 0 319.369 -0.266 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H]3C[C@H]3C)C2)c1[O-] ZINC001040497072 815405741 /nfs/dbraw/zinc/40/57/41/815405741.db2.gz DTRUEXLVJJLAJQ-FFIJEWMLSA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CN(CC(=O)N(C)C)CC[C@H]2C)c1[O-] ZINC000965917268 810986927 /nfs/dbraw/zinc/98/69/27/810986927.db2.gz RZUWOGLTPMOWSE-KOLCDFICSA-N -1 0 323.397 -0.048 20 0 DBADRM CNC(=O)CN1CC[C@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000965915494 810986992 /nfs/dbraw/zinc/98/69/92/810986992.db2.gz CFYMIAKYLVRNJZ-WCBMZHEXSA-N -1 0 309.370 -0.390 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cnnn1C ZINC000965980883 810999570 /nfs/dbraw/zinc/99/95/70/810999570.db2.gz QDLMPRKGBVFSRP-IUCAKERBSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cnnn1C ZINC000965980881 811000054 /nfs/dbraw/zinc/00/00/54/811000054.db2.gz QDLMPRKGBVFSRP-BDAKNGLRSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ncc[nH]1 ZINC000965999336 811003714 /nfs/dbraw/zinc/00/37/14/811003714.db2.gz BCYCMMBYIQULKV-IUCAKERBSA-N -1 0 305.342 -0.126 20 0 DBADRM CC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000966010583 811004083 /nfs/dbraw/zinc/00/40/83/811004083.db2.gz DQZIFCFOWAADKS-GZMMTYOYSA-N -1 0 318.337 -0.946 20 0 DBADRM C[C@@H]1CN(C(=O)C2CC2)C[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000966035986 811007048 /nfs/dbraw/zinc/00/70/48/811007048.db2.gz INVTZLLTYULEFL-SVRRBLITSA-N -1 0 307.310 -0.731 20 0 DBADRM CC(C)=CC(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC000966114986 811015449 /nfs/dbraw/zinc/01/54/49/811015449.db2.gz XTTSYLSGDCKBBH-IUCAKERBSA-N -1 0 321.337 -0.174 20 0 DBADRM CC(C)C(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC000966169193 811026897 /nfs/dbraw/zinc/02/68/97/811026897.db2.gz HFLBCFODDNGFNH-YUMQZZPRSA-N -1 0 309.326 -0.485 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@](O)(CNC(=O)[C@H]3C[C@@H]3C)C2)c1[O-] ZINC001040571425 815416062 /nfs/dbraw/zinc/41/60/62/815416062.db2.gz DTRUEXLVJJLAJQ-KPCOEVGBSA-N -1 0 322.365 -0.227 20 0 DBADRM C/C=C(\C)C(=O)N1C[C@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000966308897 811051044 /nfs/dbraw/zinc/05/10/44/811051044.db2.gz PMTTWHWVHHDZFX-UFVYQPJESA-N -1 0 321.337 -0.174 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NC(=O)CC1CC1 ZINC000966637572 811113420 /nfs/dbraw/zinc/11/34/20/811113420.db2.gz OPNVJPIHOIKIAM-CBAPKCEASA-N -1 0 321.337 -0.340 20 0 DBADRM CC(C)C(=O)N[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC000966647925 811114653 /nfs/dbraw/zinc/11/46/53/811114653.db2.gz LGPJGCFDIRIVFV-IUCAKERBSA-N -1 0 311.342 -0.692 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1NC(=O)CC1CC1 ZINC000966645386 811114738 /nfs/dbraw/zinc/11/47/38/811114738.db2.gz GPZLXFKJZGOQAC-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C)c1[O-] ZINC000966681325 811120526 /nfs/dbraw/zinc/12/05/26/811120526.db2.gz HPUKZMLQHDSAGI-XPUUQOCRSA-N -1 0 319.325 -0.568 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C(C)(C)C1 ZINC000967082408 811196000 /nfs/dbraw/zinc/19/60/00/811196000.db2.gz GURABMQMTOABOE-QMMMGPOBSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cn[nH]n1 ZINC000967187754 811217870 /nfs/dbraw/zinc/21/78/70/811217870.db2.gz XDBWMLIWUDKVOV-CBAPKCEASA-N -1 0 306.330 -0.731 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cncn1C ZINC000967269544 811235533 /nfs/dbraw/zinc/23/55/33/811235533.db2.gz WGJNCKNGNHALOX-UWVGGRQHSA-N -1 0 319.369 -0.116 20 0 DBADRM C[C@H]1CCN(CCF)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000967700086 811282576 /nfs/dbraw/zinc/28/25/76/811282576.db2.gz FUOBQORUQODKOJ-GXSJLCMTSA-N -1 0 312.345 -0.104 20 0 DBADRM CCN(C(=O)[C@@H]1C[C@H]1C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000967754619 811291065 /nfs/dbraw/zinc/29/10/65/811291065.db2.gz IXWFFRMAGQKRNY-PSASIEDQSA-N -1 0 323.353 -0.595 20 0 DBADRM CCN(C(=O)[C@H]1C[C@@H]1C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000967759915 811291483 /nfs/dbraw/zinc/29/14/83/811291483.db2.gz XLDVGUNYLYNYLK-CBAPKCEASA-N -1 0 321.337 -0.388 20 0 DBADRM CCN(C(=O)[C@H]1C[C@H]1C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000967759910 811291617 /nfs/dbraw/zinc/29/16/17/811291617.db2.gz XLDVGUNYLYNYLK-APPZFPTMSA-N -1 0 321.337 -0.388 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC1 ZINC000967968457 811328033 /nfs/dbraw/zinc/32/80/33/811328033.db2.gz LYEGPGABLZRPRN-AOOOYVTPSA-N -1 0 321.337 -0.699 20 0 DBADRM C/C=C(\C)C(=O)N1CC(N(CC)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000968169901 811356938 /nfs/dbraw/zinc/35/69/38/811356938.db2.gz BVQJDAPFGAESIP-XBXARRHUSA-N -1 0 321.337 -0.078 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)CC2CC2)C1 ZINC000968169826 811357101 /nfs/dbraw/zinc/35/71/01/811357101.db2.gz ALMURBOKASNEGN-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC000968172672 811358149 /nfs/dbraw/zinc/35/81/49/811358149.db2.gz XZWMBWXKZKTZFY-CBAPKCEASA-N -1 0 321.337 -0.388 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](N[C@@H](C)c3nnnn3C)C2)c1[O-] ZINC000968415744 811402794 /nfs/dbraw/zinc/40/27/94/811402794.db2.gz DPOQAJCCEFURSK-DTWKUNHWSA-N -1 0 320.357 -0.487 20 0 DBADRM Cn1[nH]c(CN[C@@H]2CCN(C(=O)[C@@H]3CCCCO3)C2)nc1=O ZINC000968425657 811404324 /nfs/dbraw/zinc/40/43/24/811404324.db2.gz OKIKWIXCWIZUKH-MNOVXSKESA-N -1 0 309.370 -0.632 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ccncn1 ZINC000968435683 811407565 /nfs/dbraw/zinc/40/75/65/811407565.db2.gz FMQJVGQKSFDVEE-ONGXEEELSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cc1ncc[nH]1 ZINC000968477078 811422070 /nfs/dbraw/zinc/42/20/70/811422070.db2.gz PMNKJJARMUPBCL-ZJUUUORDSA-N -1 0 319.369 -0.197 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](NCc2csnn2)C1 ZINC000969211518 811553278 /nfs/dbraw/zinc/55/32/78/811553278.db2.gz DLZFRRLMEVQZNH-ZCFIWIBFSA-N -1 0 323.338 -0.861 20 0 DBADRM C[C@@H](NC(=O)c1cnccn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969231624 811555811 /nfs/dbraw/zinc/55/58/11/811555811.db2.gz WUKGKSSWDNXFCW-MRVPVSSYSA-N -1 0 303.326 -0.449 20 0 DBADRM Cc1cc(C(=O)N[C@H](C)C2CN(Cc3nc(=O)n(C)[nH]3)C2)on1 ZINC000969269265 811557988 /nfs/dbraw/zinc/55/79/88/811557988.db2.gz FPQUYSXAXYLVFU-SECBINFHSA-N -1 0 320.353 -0.345 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC000987178815 811596794 /nfs/dbraw/zinc/59/67/94/811596794.db2.gz ZDBDQWQJSYZRGU-APPZFPTMSA-N -1 0 309.326 -0.659 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@@H]3CCCCO3)C2)c1[O-] ZINC000990847614 811787193 /nfs/dbraw/zinc/78/71/93/811787193.db2.gz HYIBSDQGGJIQNH-JTQLQIEISA-N -1 0 308.338 -0.067 20 0 DBADRM CCc1n[nH]cc1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990854759 811789545 /nfs/dbraw/zinc/78/95/45/811789545.db2.gz PQXAVMZKCVZAPQ-UHFFFAOYSA-N -1 0 318.337 -0.036 20 0 DBADRM COc1nc(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)co1 ZINC000990853962 811789749 /nfs/dbraw/zinc/78/97/49/811789749.db2.gz JOGVPOQCRKYDMJ-UHFFFAOYSA-N -1 0 321.293 -0.325 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cn[nH]c(=O)c3)C2)c1[O-] ZINC000990863401 811792502 /nfs/dbraw/zinc/79/25/02/811792502.db2.gz ROKZZNSNWHHZBB-UHFFFAOYSA-N -1 0 318.293 -0.826 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)C[C@@H]3COC(=O)C3)C2)c1[O-] ZINC000990864043 811792622 /nfs/dbraw/zinc/79/26/22/811792622.db2.gz IPDRGZWRIFRQEX-QMMMGPOBSA-N -1 0 322.321 -0.682 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@H](C)n3cncn3)C2)c1[O-] ZINC000990863064 811792662 /nfs/dbraw/zinc/79/26/62/811792662.db2.gz BTDNWGUHHWCRAE-QMMMGPOBSA-N -1 0 319.325 -0.783 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)C[C@H]3CCC(=O)N3)C2)c1[O-] ZINC000990864170 811792747 /nfs/dbraw/zinc/79/27/47/811792747.db2.gz KDPDJIIXYYUCPT-MRVPVSSYSA-N -1 0 321.337 -0.967 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cnns3)C2)c1[O-] ZINC000990863598 811792966 /nfs/dbraw/zinc/79/29/66/811792966.db2.gz DQJXKDWALIFFRU-UHFFFAOYSA-N -1 0 308.323 -0.470 20 0 DBADRM CCO[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990866523 811794027 /nfs/dbraw/zinc/79/40/27/811794027.db2.gz VWXAOBZKEYUNTC-ZJUUUORDSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)C3CCC(O)CC3)C2)c1[O-] ZINC000990866616 811794235 /nfs/dbraw/zinc/79/42/35/811794235.db2.gz XJIZUTJPRPBWBH-UHFFFAOYSA-N -1 0 322.365 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)CCc3ccon3)C2)c1[O-] ZINC000990868609 811794788 /nfs/dbraw/zinc/79/47/88/811794788.db2.gz NVCOLGRORFAPRK-UHFFFAOYSA-N -1 0 319.321 -0.015 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3ccn(C)n3)C2)c1[O-] ZINC000990867683 811795392 /nfs/dbraw/zinc/79/53/92/811795392.db2.gz GBMNEADXAGWPQE-UHFFFAOYSA-N -1 0 304.310 -0.588 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000990883079 811797702 /nfs/dbraw/zinc/79/77/02/811797702.db2.gz YQJAFEQECCPHSJ-ZETCQYMHSA-N -1 0 307.310 -0.731 20 0 DBADRM CC(=O)N1CC(C(=O)N2CC(NC(=O)c3ncccc3O)C2)C1 ZINC000990967643 811831795 /nfs/dbraw/zinc/83/17/95/811831795.db2.gz AQYQYVZLJVUUEN-UHFFFAOYSA-N -1 0 318.333 -0.794 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3nccc(C)n3)C2)c1[O-] ZINC000991093027 811877120 /nfs/dbraw/zinc/87/71/20/811877120.db2.gz SUGYHCARBLATHM-UHFFFAOYSA-N -1 0 316.321 -0.223 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C(F)F)[C@@H](O)C2)c1[O-] ZINC000991153581 811909593 /nfs/dbraw/zinc/90/95/93/811909593.db2.gz FBPUJIJVWSDVBP-RQJHMYQMSA-N -1 0 318.280 -0.620 20 0 DBADRM CCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@@H]1C ZINC001004271977 811968770 /nfs/dbraw/zinc/96/87/70/811968770.db2.gz HABVFERPFSLVPF-JGVFFNPUSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C1CC1 ZINC001004312210 811972051 /nfs/dbraw/zinc/97/20/51/811972051.db2.gz GJNHXAAQUYHBHB-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1CC1 ZINC001004312243 811972153 /nfs/dbraw/zinc/97/21/53/811972153.db2.gz GRLDIZUDXMCLPG-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001004569125 811996737 /nfs/dbraw/zinc/99/67/37/811996737.db2.gz BBVIKTIQXDBEAC-HLTSFMKQSA-N -1 0 319.321 -0.446 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001004617927 811999329 /nfs/dbraw/zinc/99/93/29/811999329.db2.gz OTMRPRVFUURQEO-NXEZZACHSA-N -1 0 323.353 -0.690 20 0 DBADRM CN(C(=O)C1=COCCO1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005074218 812027079 /nfs/dbraw/zinc/02/70/79/812027079.db2.gz FWCCBLNJSYAWGT-UHFFFAOYSA-N -1 0 323.353 -0.179 20 0 DBADRM CC(=O)NC[C@H]1CCCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001005316119 812059821 /nfs/dbraw/zinc/05/98/21/812059821.db2.gz LPBGXGUFPSTYOE-SNVBAGLBSA-N -1 0 311.342 -0.403 20 0 DBADRM CN(C(=O)c1ncc[nH]1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005369244 812064082 /nfs/dbraw/zinc/06/40/82/812064082.db2.gz MZSUBCDSYBXEAB-UHFFFAOYSA-N -1 0 305.342 -0.030 20 0 DBADRM C[C@@H](NC(=O)C1CC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001005545105 812074581 /nfs/dbraw/zinc/07/45/81/812074581.db2.gz YCULPCRGKJAYCM-ZCFIWIBFSA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@H](NC(=O)C1CC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001005545101 812074682 /nfs/dbraw/zinc/07/46/82/812074682.db2.gz YCULPCRGKJAYCM-LURJTMIESA-N -1 0 307.310 -0.731 20 0 DBADRM CC(=O)N[C@@H](C)C1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001005549410 812075626 /nfs/dbraw/zinc/07/56/26/812075626.db2.gz SAWFNSGBPHBKBE-QMMMGPOBSA-N -1 0 303.322 -0.381 20 0 DBADRM C[C@H](NC(=O)C1CCC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001005571454 812078346 /nfs/dbraw/zinc/07/83/46/812078346.db2.gz RYDONKZVKIBKMM-QMMMGPOBSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@@H](NC(=O)C1CCC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001005571452 812078357 /nfs/dbraw/zinc/07/83/57/812078357.db2.gz RYDONKZVKIBKMM-MRVPVSSYSA-N -1 0 323.353 -0.548 20 0 DBADRM CN(C(=O)c1nc[nH]n1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001006161022 812167834 /nfs/dbraw/zinc/16/78/34/812167834.db2.gz XBKZHKJNMPDGGL-UHFFFAOYSA-N -1 0 306.330 -0.635 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001006495009 812213619 /nfs/dbraw/zinc/21/36/19/812213619.db2.gz QMFADNATOCPMDW-ZXFLCMHBSA-N -1 0 321.337 -0.485 20 0 DBADRM CC[C@@H](C)C(=O)N1CC([C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006496899 812213871 /nfs/dbraw/zinc/21/38/71/812213871.db2.gz WSTFZBXDAPKJOA-SFYZADRCSA-N -1 0 323.353 -0.094 20 0 DBADRM Cn1[nH]c(CN2CCC[C@@H](NC(=O)C3CCOCC3)C2)nc1=O ZINC001006549637 812215802 /nfs/dbraw/zinc/21/58/02/812215802.db2.gz YTZOLLVYJOWCNY-GFCCVEGCSA-N -1 0 323.397 -0.384 20 0 DBADRM Cc1nn(C)cc1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001006939778 812259070 /nfs/dbraw/zinc/25/90/70/812259070.db2.gz QDFBFGQYAUZLPN-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCNC(=O)C1 ZINC001007109302 812267738 /nfs/dbraw/zinc/26/77/38/812267738.db2.gz XJKHHNZVFLTCDL-NXEZZACHSA-N -1 0 322.369 -0.883 20 0 DBADRM CC[C@@H](C(N)=O)N1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001007132187 812270178 /nfs/dbraw/zinc/27/01/78/812270178.db2.gz ZMXCLPYUWRARBO-ZJUUUORDSA-N -1 0 309.370 -0.118 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001007259883 812287052 /nfs/dbraw/zinc/28/70/52/812287052.db2.gz FPJVVSOIVJUJAX-QMMMGPOBSA-N -1 0 306.330 -0.967 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007312121 812296440 /nfs/dbraw/zinc/29/64/40/812296440.db2.gz NKHKMSJHIYQQSS-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM O=C([C@@H]1CCOC1)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041128272 815524647 /nfs/dbraw/zinc/52/46/47/815524647.db2.gz QOMKQPMBZXVOJD-ABAIWWIYSA-N -1 0 321.381 -0.029 20 0 DBADRM CCC(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC1(C)C ZINC001007752046 812352627 /nfs/dbraw/zinc/35/26/27/812352627.db2.gz SZQOVNAGKBBSGO-SNVBAGLBSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001007946131 812370259 /nfs/dbraw/zinc/37/02/59/812370259.db2.gz LPCMDOPJILVWRY-ZANVPECISA-N -1 0 309.326 -0.794 20 0 DBADRM CCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001007945440 812370962 /nfs/dbraw/zinc/37/09/62/812370962.db2.gz JBYPEKQTAGKXPT-XPTSAGLGSA-N -1 0 323.353 -0.403 20 0 DBADRM Cn1c(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)c[nH]c1=O ZINC001008192727 812397910 /nfs/dbraw/zinc/39/79/10/812397910.db2.gz WQHZHBVDOZGSOU-QMMMGPOBSA-N -1 0 321.341 -0.656 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008274833 812409393 /nfs/dbraw/zinc/40/93/93/812409393.db2.gz GTDMYOINPHPBLF-VHSXEESVSA-N -1 0 322.369 -0.788 20 0 DBADRM C[C@]1(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CCNC1=O ZINC001008510423 812437301 /nfs/dbraw/zinc/43/73/01/812437301.db2.gz PRPDOTUPVHJNJI-OTYXRUKQSA-N -1 0 322.369 -0.883 20 0 DBADRM Cn1ccc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001009539470 812557191 /nfs/dbraw/zinc/55/71/91/812557191.db2.gz UTRXIQZWBBBJPV-SECBINFHSA-N -1 0 305.342 -0.362 20 0 DBADRM CCC(=O)N1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001009632683 812569522 /nfs/dbraw/zinc/56/95/22/812569522.db2.gz HXTHJEAFAVRTFT-UHFFFAOYSA-N -1 0 309.326 -0.704 20 0 DBADRM Cc1nc[nH]c1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001009764661 812588481 /nfs/dbraw/zinc/58/84/81/812588481.db2.gz VARFXUQWTORQOI-VIFPVBQESA-N -1 0 305.342 -0.064 20 0 DBADRM CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C1 ZINC001009767257 812588605 /nfs/dbraw/zinc/58/86/05/812588605.db2.gz NUCGIEFMONPKAT-IVZWLZJFSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(C)(F)C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001009771711 812588911 /nfs/dbraw/zinc/58/89/11/812588911.db2.gz IHTDRXCQLJKFPN-UHFFFAOYSA-N -1 0 315.305 -0.892 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC001009854655 812595280 /nfs/dbraw/zinc/59/52/80/812595280.db2.gz CUAXUMDRPBWBRX-HBNTYKKESA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C1 ZINC001009854653 812595552 /nfs/dbraw/zinc/59/55/52/812595552.db2.gz CUAXUMDRPBWBRX-GARJFASQSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C1 ZINC001009854652 812595966 /nfs/dbraw/zinc/59/59/66/812595966.db2.gz CUAXUMDRPBWBRX-DCAQKATOSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC001009858309 812596687 /nfs/dbraw/zinc/59/66/87/812596687.db2.gz KARWPLQILFJRLP-IVZWLZJFSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001010044555 812613437 /nfs/dbraw/zinc/61/34/37/812613437.db2.gz CSEOPNVICKREAT-YUMQZZPRSA-N -1 0 307.310 -0.777 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001010057073 812614147 /nfs/dbraw/zinc/61/41/47/812614147.db2.gz JESDEMKWRJRQBY-VHSXEESVSA-N -1 0 320.349 -0.574 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC001010321617 812661227 /nfs/dbraw/zinc/66/12/27/812661227.db2.gz CGPZCCAVLVRZIM-UHFFFAOYSA-N -1 0 320.309 -0.998 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001010383075 812677689 /nfs/dbraw/zinc/67/76/89/812677689.db2.gz RKPDNUQBRMZXTJ-UHFFFAOYSA-N -1 0 317.349 -0.037 20 0 DBADRM Cc1cc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001010399932 812683124 /nfs/dbraw/zinc/68/31/24/812683124.db2.gz ZDGCEIJXEODUJM-SECBINFHSA-N -1 0 306.326 -0.260 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@]3(CCN(CC(N)=O)C3)C2)c1[O-] ZINC001041208256 815547403 /nfs/dbraw/zinc/54/74/03/815547403.db2.gz VHKVRUBBMISLTJ-CQSZACIVSA-N -1 0 307.354 -0.553 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(=O)N3CCCC3)C2)c1[O-] ZINC001010543337 812713943 /nfs/dbraw/zinc/71/39/43/812713943.db2.gz GPEXADFZCPQAAI-LLVKDONJSA-N -1 0 321.381 -0.150 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN([C@H]3CCC(=O)NC3=O)C2)c1[O-] ZINC001010628241 812728528 /nfs/dbraw/zinc/72/85/28/812728528.db2.gz KISVPMZHELMULR-IUCAKERBSA-N -1 0 321.337 -0.967 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)ncn1 ZINC001010634084 812729700 /nfs/dbraw/zinc/72/97/00/812729700.db2.gz GSMSDUKUNPCEDT-VIFPVBQESA-N -1 0 303.326 -0.387 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN([C@@H]3CCCN(C)C3=O)C2)c1[O-] ZINC001010631863 812729872 /nfs/dbraw/zinc/72/98/72/812729872.db2.gz UYFMHTALGBPUEE-WDEREUQCSA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1nnc(CN2CC[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)[nH]1 ZINC001010645801 812732352 /nfs/dbraw/zinc/73/23/52/812732352.db2.gz ZWTYERAMADZTIK-VIFPVBQESA-N -1 0 305.342 -0.145 20 0 DBADRM COc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001010701609 812748607 /nfs/dbraw/zinc/74/86/07/812748607.db2.gz VHLJPNIWFYBMGC-SSDOTTSWSA-N -1 0 308.298 -0.489 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(C(=O)C2CC=CC2)CC1 ZINC001010823029 812781359 /nfs/dbraw/zinc/78/13/59/812781359.db2.gz SJEPQGPMKYVIGK-UHFFFAOYSA-N -1 0 319.321 -0.467 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3cn[nH]n3)CC2)c1[O-] ZINC001011010013 812812041 /nfs/dbraw/zinc/81/20/41/812812041.db2.gz RWUBPSHUWKFWIK-UHFFFAOYSA-N -1 0 305.298 -0.860 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001011930803 812972615 /nfs/dbraw/zinc/97/26/15/812972615.db2.gz NXGVQGSVFHUFEA-HTQZYQBOSA-N -1 0 309.326 -0.342 20 0 DBADRM C[C@H]1[C@H](NC(=O)C2CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001011946156 812973688 /nfs/dbraw/zinc/97/36/88/812973688.db2.gz ZAQHROKAMUESHS-IONNQARKSA-N -1 0 309.326 -0.795 20 0 DBADRM C[C@@H]1[C@H](NC(=O)C(F)F)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001011943177 812973860 /nfs/dbraw/zinc/97/38/60/812973860.db2.gz HTJBTLOXQJOIGZ-PHDIDXHHSA-N -1 0 319.268 -0.940 20 0 DBADRM C[C@H]1[C@@H](NC(=O)C2CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001011946155 812974171 /nfs/dbraw/zinc/97/41/71/812974171.db2.gz ZAQHROKAMUESHS-CBAPKCEASA-N -1 0 309.326 -0.795 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnon3)[C@H]2C)c1[O-] ZINC001011990315 812986745 /nfs/dbraw/zinc/98/67/45/812986745.db2.gz FKLKTQBDIXWHSY-YUMQZZPRSA-N -1 0 320.309 -0.160 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C[C@@H]1C ZINC001012121650 813015398 /nfs/dbraw/zinc/01/53/98/813015398.db2.gz NXUIGZPZODRNRG-WPRPVWTQSA-N -1 0 303.322 -0.238 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)C1CC1 ZINC001012129285 813015868 /nfs/dbraw/zinc/01/58/68/813015868.db2.gz RKXRRACDOZEGKO-VXNVDRBHSA-N -1 0 309.326 -0.795 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C1CCC1 ZINC001012146077 813017730 /nfs/dbraw/zinc/01/77/30/813017730.db2.gz ZGMHFPKDEZQSHQ-IONNQARKSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)CC1CC1 ZINC001012160176 813018388 /nfs/dbraw/zinc/01/83/88/813018388.db2.gz OJURSAWREMVLSJ-PSASIEDQSA-N -1 0 323.353 -0.405 20 0 DBADRM CCCC(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001012192929 813022257 /nfs/dbraw/zinc/02/22/57/813022257.db2.gz IXGAGMPTWJMRSW-IUCAKERBSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(C)=CC(=O)N1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001012232475 813025495 /nfs/dbraw/zinc/02/54/95/813025495.db2.gz AMAUBSGBOADOBF-VHSXEESVSA-N -1 0 323.353 -0.239 20 0 DBADRM CC(C)C(=O)N1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001012307072 813035038 /nfs/dbraw/zinc/03/50/38/813035038.db2.gz DZNIQINALCMNGR-DTWKUNHWSA-N -1 0 311.342 -0.549 20 0 DBADRM CC(C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001013412406 813138273 /nfs/dbraw/zinc/13/82/73/813138273.db2.gz LVGSDMYKRNGZFD-JGVFFNPUSA-N -1 0 309.326 -0.342 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3nc[nH]n3)C2)c1[O-] ZINC001013643255 813156563 /nfs/dbraw/zinc/15/65/63/813156563.db2.gz UJHYKSQDYQHNOF-XPUUQOCRSA-N -1 0 319.325 -0.425 20 0 DBADRM CC(=O)NC1CC2(C1)CC(NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001013922537 813180026 /nfs/dbraw/zinc/18/00/26/813180026.db2.gz HBFSSTDHRMTWIC-UHFFFAOYSA-N -1 0 307.310 -0.540 20 0 DBADRM CCC(=O)N[C@]12CCC[C@@H]1N(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC001014106558 813210001 /nfs/dbraw/zinc/21/00/01/813210001.db2.gz KRIMJWBXXGYYKE-XPTSAGLGSA-N -1 0 323.353 -0.261 20 0 DBADRM CCC(=O)N1CC[C@]2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CCC[C@@H]12 ZINC001014353293 813222323 /nfs/dbraw/zinc/22/23/23/813222323.db2.gz MMRWMUADWZPADI-YMTOWFKASA-N -1 0 323.353 -0.261 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001014406096 813232757 /nfs/dbraw/zinc/23/27/57/813232757.db2.gz IGSLEAGFFZCSLY-SECBINFHSA-N -1 0 303.326 -0.387 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnn1C ZINC001014458019 813248912 /nfs/dbraw/zinc/24/89/12/813248912.db2.gz HZQAEFSIHJYURQ-NXEZZACHSA-N -1 0 319.369 -0.262 20 0 DBADRM CC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001014606484 813272856 /nfs/dbraw/zinc/27/28/56/813272856.db2.gz XTZIJIMSUHFFCQ-OPRDCNLKSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc2n(n1)CCC2 ZINC001014645241 813284659 /nfs/dbraw/zinc/28/46/59/813284659.db2.gz MCOFSTOAOHRQJW-SECBINFHSA-N -1 0 317.353 -0.343 20 0 DBADRM CCC(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001014656925 813288206 /nfs/dbraw/zinc/28/82/06/813288206.db2.gz WZTGKJWRECCEQT-YUMQZZPRSA-N -1 0 309.326 -0.198 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001014798992 813313622 /nfs/dbraw/zinc/31/36/22/813313622.db2.gz WGSHBOPJDQYQGR-IVZWLZJFSA-N -1 0 317.353 -0.272 20 0 DBADRM Cc1ncn(C)c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014817194 813317831 /nfs/dbraw/zinc/31/78/31/813317831.db2.gz QWHROILXVPRTMA-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM O=C(Cc1cncs1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014841149 813322067 /nfs/dbraw/zinc/32/20/67/813322067.db2.gz TWJGGCGEVASUCC-MRVPVSSYSA-N -1 0 308.367 -0.100 20 0 DBADRM CCOc1nc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001015095617 813368473 /nfs/dbraw/zinc/36/84/73/813368473.db2.gz BPFYFZKJUWRAGV-MRVPVSSYSA-N -1 0 322.325 -0.099 20 0 DBADRM O=C(N[C@H]1CCN(Cc2cccnc2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015109747 813371150 /nfs/dbraw/zinc/37/11/50/813371150.db2.gz MJKDPXSFZBIQNN-JTQLQIEISA-N -1 0 316.321 -0.318 20 0 DBADRM Cc1cc(C)n(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001015174439 813380983 /nfs/dbraw/zinc/38/09/83/813380983.db2.gz NJLGCSVYJKWMLN-LLVKDONJSA-N -1 0 319.369 -0.286 20 0 DBADRM COc1ccc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001015180848 813382410 /nfs/dbraw/zinc/38/24/10/813382410.db2.gz CPPVSWAJQKRTBL-SNVBAGLBSA-N -1 0 318.337 -0.082 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015197195 813388465 /nfs/dbraw/zinc/38/84/65/813388465.db2.gz XXXDSZMJWSZUBT-NXEZZACHSA-N -1 0 322.369 -0.740 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015197210 813388797 /nfs/dbraw/zinc/38/87/97/813388797.db2.gz XXXDSZMJWSZUBT-VHSXEESVSA-N -1 0 322.369 -0.740 20 0 DBADRM Cn1ccc(=O)c(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001015217034 813393870 /nfs/dbraw/zinc/39/38/70/813393870.db2.gz BEYFSOFZOFGLJB-SECBINFHSA-N -1 0 318.337 -0.787 20 0 DBADRM CCC(=O)N[C@H]1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015264654 813400790 /nfs/dbraw/zinc/40/07/90/813400790.db2.gz GCDAIFXJSGKSKM-SFYZADRCSA-N -1 0 309.326 -0.293 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1csc(=O)[nH]1 ZINC001015585085 813467787 /nfs/dbraw/zinc/46/77/87/813467787.db2.gz PEUGMQSZOLXAGR-ZCFIWIBFSA-N -1 0 310.339 -0.323 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cncnc1 ZINC001015606468 813472223 /nfs/dbraw/zinc/47/22/23/813472223.db2.gz CNOPWKLJDLXDEX-GXSJLCMTSA-N -1 0 317.353 -0.206 20 0 DBADRM NC(=O)C(=O)N[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC001015641060 813485310 /nfs/dbraw/zinc/48/53/10/813485310.db2.gz XUVCBGXTBDGGGB-ZETCQYMHSA-N -1 0 321.362 -0.427 20 0 DBADRM COc1ncccc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015646048 813488235 /nfs/dbraw/zinc/48/82/35/813488235.db2.gz LHCHIUAAUNWKTL-VIFPVBQESA-N -1 0 318.337 -0.082 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCCCC(=O)N1 ZINC001015688006 813497410 /nfs/dbraw/zinc/49/74/10/813497410.db2.gz UZCVTWCKAFDCEM-UWVGGRQHSA-N -1 0 322.369 -0.740 20 0 DBADRM CCn1ccc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001015791794 813527233 /nfs/dbraw/zinc/52/72/33/813527233.db2.gz MTGOCKDLUJYIDR-SECBINFHSA-N -1 0 305.342 -0.269 20 0 DBADRM CCc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001015897585 813555344 /nfs/dbraw/zinc/55/53/44/813555344.db2.gz RMDVAQVDWZJABJ-SNVBAGLBSA-N -1 0 319.369 -0.190 20 0 DBADRM COCc1nocc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015980310 813581155 /nfs/dbraw/zinc/58/11/55/813581155.db2.gz CFZHIWVEFKPELV-MRVPVSSYSA-N -1 0 322.325 -0.351 20 0 DBADRM C[C@H](C(N)=O)N1CC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001015988903 813583137 /nfs/dbraw/zinc/58/31/37/813583137.db2.gz IAUIJYGKFISCEW-SFYZADRCSA-N -1 0 319.321 -0.394 20 0 DBADRM COc1cccnc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016090907 813595912 /nfs/dbraw/zinc/59/59/12/813595912.db2.gz BXLWQOJACZKVRW-VIFPVBQESA-N -1 0 318.337 -0.082 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(Cc2ccon2)C1 ZINC001016111787 813599367 /nfs/dbraw/zinc/59/93/67/813599367.db2.gz UKDFVZKBDSPZAZ-QMMMGPOBSA-N -1 0 308.298 -0.932 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(Cc2cscn2)C1 ZINC001016110025 813599483 /nfs/dbraw/zinc/59/94/83/813599483.db2.gz HVGJUVLWPDXZKY-MRVPVSSYSA-N -1 0 324.366 -0.464 20 0 DBADRM Cc1conc1CN1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016110205 813599549 /nfs/dbraw/zinc/59/95/49/813599549.db2.gz JLORCFGHUBZTTI-SECBINFHSA-N -1 0 322.325 -0.624 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016142444 813608192 /nfs/dbraw/zinc/60/81/92/813608192.db2.gz UOKCITZZOPEWKZ-ZJUUUORDSA-N -1 0 322.369 -0.788 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc(=O)[nH]c1 ZINC001016162039 813609322 /nfs/dbraw/zinc/60/93/22/813609322.db2.gz AGYFAPPOXDFKSP-SECBINFHSA-N -1 0 304.310 -0.385 20 0 DBADRM CN1C[C@@H](C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCC1=O ZINC001016355513 813657276 /nfs/dbraw/zinc/65/72/76/813657276.db2.gz XEQKUZDAUBNRHO-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM CN1C[C@H](C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCC1=O ZINC001016355511 813657559 /nfs/dbraw/zinc/65/75/59/813657559.db2.gz XEQKUZDAUBNRHO-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CC(N(C)C(=O)c3cn[nH]n3)C2)c1[O-] ZINC001016719433 813711140 /nfs/dbraw/zinc/71/11/40/813711140.db2.gz WJHWZEJYVGUOJD-UHFFFAOYSA-N -1 0 319.325 -0.425 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)C1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001016833744 813729201 /nfs/dbraw/zinc/72/92/01/813729201.db2.gz APMFLSYUFKUZJC-MDVIFZSFSA-N -1 0 321.337 -0.342 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)C1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016874663 813734936 /nfs/dbraw/zinc/73/49/36/813734936.db2.gz AJVLZUTVRLVPHC-NFTFJBJSSA-N -1 0 323.353 -0.549 20 0 DBADRM O=C(N[C@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2)c1cnon1 ZINC001016890468 813740411 /nfs/dbraw/zinc/74/04/11/813740411.db2.gz VHVDPCFKDFTIJL-VIFPVBQESA-N -1 0 319.325 -0.322 20 0 DBADRM CNC(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-] ZINC001017480901 813799414 /nfs/dbraw/zinc/79/94/14/813799414.db2.gz VDIKRCLDUQVVRW-AOOOYVTPSA-N -1 0 307.354 -0.541 20 0 DBADRM Cn1cncc1C(=O)N1CC=C(CNC(=O)c2cn[nH]n2)CC1 ZINC001017567827 813808620 /nfs/dbraw/zinc/80/86/20/813808620.db2.gz ULYUNIIXWVICAG-UHFFFAOYSA-N -1 0 315.337 -0.260 20 0 DBADRM CCC(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@@H]1C ZINC001018288321 813887408 /nfs/dbraw/zinc/88/74/08/813887408.db2.gz IRARKFXAUZPMSE-YUMQZZPRSA-N -1 0 309.326 -0.198 20 0 DBADRM CC(=O)N1CC[C@H](C)[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001018451305 813914399 /nfs/dbraw/zinc/91/43/99/813914399.db2.gz SSKVOOCFHGANLI-IONNQARKSA-N -1 0 309.326 -0.483 20 0 DBADRM CCC(=O)N1CC2(C1)CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001018643171 813947297 /nfs/dbraw/zinc/94/72/97/813947297.db2.gz KNDZGSOPQXSJDZ-UHFFFAOYSA-N -1 0 307.310 -0.633 20 0 DBADRM COCC(=O)N1CCC2(CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC001018945181 814025062 /nfs/dbraw/zinc/02/50/62/814025062.db2.gz OEVIJTWIYWZIHK-UHFFFAOYSA-N -1 0 308.338 -0.255 20 0 DBADRM Cc1nc(CN[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)co1 ZINC001019094596 814069488 /nfs/dbraw/zinc/06/94/88/814069488.db2.gz BZUVEEORDHMSNX-QMMMGPOBSA-N -1 0 320.309 -0.416 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](NCc2cnns2)C1 ZINC001019094753 814070242 /nfs/dbraw/zinc/07/02/42/814070242.db2.gz LBHQJRIDUFVZGX-LURJTMIESA-N -1 0 323.338 -0.861 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC2(C1)CCN(C(=O)C1CC1)C2 ZINC001019242199 814103073 /nfs/dbraw/zinc/10/30/73/814103073.db2.gz TVDNCOHFTOGSHO-UHFFFAOYSA-N -1 0 321.337 -0.840 20 0 DBADRM Cc1cnc(CN[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001019709650 814221743 /nfs/dbraw/zinc/22/17/43/814221743.db2.gz KBSRZMJGTCXLPA-VIFPVBQESA-N -1 0 322.325 -0.624 20 0 DBADRM CC(=O)N(C)C[C@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001019778849 814232076 /nfs/dbraw/zinc/23/20/76/814232076.db2.gz ZCDNTJBROBRZPJ-SECBINFHSA-N -1 0 309.326 -0.244 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCCCN2C(=O)C(N)=O)c1[O-] ZINC001019794425 814234808 /nfs/dbraw/zinc/23/48/08/814234808.db2.gz FJOAZFDHSVSPQF-SECBINFHSA-N -1 0 323.353 -0.638 20 0 DBADRM CC(=O)N1CC[C@@H]2OCCN(C(=O)c3n[nH]c(C)c3[O-])[C@H]2C1 ZINC001019814512 814239037 /nfs/dbraw/zinc/23/90/37/814239037.db2.gz SFCJFLGMXXKZIS-QWRGUYRKSA-N -1 0 308.338 -0.114 20 0 DBADRM O=C(N[C@H]1C[C@H](NCc2csnn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001020352962 814361077 /nfs/dbraw/zinc/36/10/77/814361077.db2.gz IZONLAITUJAVSC-IZLXSQMJSA-N -1 0 323.338 -0.815 20 0 DBADRM O=C(c1nc[nH]n1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029519474 814391995 /nfs/dbraw/zinc/39/19/95/814391995.db2.gz CQMIJNKDJDIOAU-OCAPTIKFSA-N -1 0 304.314 -0.883 20 0 DBADRM Cc1cn(C)nc1C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033076328 814404999 /nfs/dbraw/zinc/40/49/99/814404999.db2.gz VMMMZYOVJFOXLS-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033124716 814419137 /nfs/dbraw/zinc/41/91/37/814419137.db2.gz QFBIOWKQSUCXNW-NXEZZACHSA-N -1 0 322.369 -0.979 20 0 DBADRM CN(C(=O)c1cn[nH]c(=O)c1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033164390 814432680 /nfs/dbraw/zinc/43/26/80/814432680.db2.gz BGMGXTFFWSXEPM-SECBINFHSA-N -1 0 319.325 -0.648 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033170112 814434162 /nfs/dbraw/zinc/43/41/62/814434162.db2.gz UKYYMLFHDZKFAK-QMMMGPOBSA-N -1 0 321.341 -0.406 20 0 DBADRM Cc1cnn(C)c1C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033341515 814482345 /nfs/dbraw/zinc/48/23/45/814482345.db2.gz TXNGWPTTZVZBDD-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C(=O)[C@]1(F)CCOC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033367140 814488505 /nfs/dbraw/zinc/48/85/05/814488505.db2.gz FDEXWURNNNOUKI-ZANVPECISA-N -1 0 313.333 -0.328 20 0 DBADRM CN(C(=O)[C@@]1(C)CCNC1=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033420563 814505437 /nfs/dbraw/zinc/50/54/37/814505437.db2.gz INWMVFVHZOSFMW-XPTSAGLGSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C(=O)c1ccnnc1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033452623 814511308 /nfs/dbraw/zinc/51/13/08/814511308.db2.gz JXAFDBMKEWLSLP-SNVBAGLBSA-N -1 0 303.326 -0.353 20 0 DBADRM CN(C(=O)Cc1cnc[nH]1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033451894 814512198 /nfs/dbraw/zinc/51/21/98/814512198.db2.gz GXCDNSZGMYWZGV-SNVBAGLBSA-N -1 0 305.342 -0.491 20 0 DBADRM CN(C(=O)c1ccncn1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033512261 814526868 /nfs/dbraw/zinc/52/68/68/814526868.db2.gz HWTDFBUYSYHWSJ-SECBINFHSA-N -1 0 303.326 -0.353 20 0 DBADRM CN(C(=O)Cc1ncc[nH]1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033543579 814538322 /nfs/dbraw/zinc/53/83/22/814538322.db2.gz MAUKVYQBIOBIPF-SECBINFHSA-N -1 0 305.342 -0.491 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])[C@H]1CCN([C@H](C)C(N)=O)C1 ZINC001033795903 814586763 /nfs/dbraw/zinc/58/67/63/814586763.db2.gz PCANGGMMRUKIAY-ZJUUUORDSA-N -1 0 309.370 -0.166 20 0 DBADRM CCN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033919711 814607038 /nfs/dbraw/zinc/60/70/38/814607038.db2.gz OCICFXKCHNTJSQ-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCCN([C@@H]3CCNC3=O)C2)c1[O-] ZINC001034168087 814638906 /nfs/dbraw/zinc/63/89/06/814638906.db2.gz GVPCYYCNBOHOPU-WDEREUQCSA-N -1 0 321.381 -0.103 20 0 DBADRM O=C(N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cn[nH]n1 ZINC001034286071 814661015 /nfs/dbraw/zinc/66/10/15/814661015.db2.gz PIYUCMRUWWEFAO-MRVPVSSYSA-N -1 0 306.330 -0.587 20 0 DBADRM O=C(N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCNC1=O ZINC001034345216 814666798 /nfs/dbraw/zinc/66/67/98/814666798.db2.gz NJUVHGPXXRNPIL-ZJUUUORDSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(Cc1nc[nH]n1)N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034487321 814689315 /nfs/dbraw/zinc/68/93/15/814689315.db2.gz MBEJRWUEVAJGLP-SECBINFHSA-N -1 0 320.357 -0.658 20 0 DBADRM O=C(N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001034500043 814691177 /nfs/dbraw/zinc/69/11/77/814691177.db2.gz ZKCSRAVQJBATAH-ZJUUUORDSA-N -1 0 322.369 -0.740 20 0 DBADRM O=C(Cn1cncn1)N[C@H]1CC[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CC1 ZINC001034790825 814725099 /nfs/dbraw/zinc/72/50/99/814725099.db2.gz QWKDLVKMNPRISB-MGCOHNPYSA-N -1 0 320.357 -0.681 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@@H]1CNCc1cnon1 ZINC001034984631 814760157 /nfs/dbraw/zinc/76/01/57/814760157.db2.gz AKEQDWDOWFDZLN-MRVPVSSYSA-N -1 0 321.297 -0.940 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ccccn1 ZINC001035267726 814872769 /nfs/dbraw/zinc/87/27/69/814872769.db2.gz UAWMDXJVNPGXRD-SNVBAGLBSA-N -1 0 318.337 -0.464 20 0 DBADRM Cn1cccc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035294263 814879952 /nfs/dbraw/zinc/87/99/52/814879952.db2.gz JHWDCNZTZRFICH-JTQLQIEISA-N -1 0 320.353 -0.520 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1cocn1 ZINC001035308668 814887041 /nfs/dbraw/zinc/88/70/41/814887041.db2.gz FMZADAXEHZPYJT-MRVPVSSYSA-N -1 0 308.298 -0.871 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3cnon3)CCO2)c1[O-] ZINC001035344793 814899807 /nfs/dbraw/zinc/89/98/07/814899807.db2.gz XGBXATQFRKVQHF-SNVBAGLBSA-N -1 0 322.325 -0.562 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1cc[nH]c1 ZINC001035379225 814912587 /nfs/dbraw/zinc/91/25/87/814912587.db2.gz HYPTYXBEWCCNJN-JTQLQIEISA-N -1 0 306.326 -0.531 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)c3ccoc3)C2)c1[O-] ZINC001041456934 815623006 /nfs/dbraw/zinc/62/30/06/815623006.db2.gz ZYPIVOMZDNVEEZ-UHFFFAOYSA-N -1 0 320.305 -0.366 20 0 DBADRM O=C(c1cn[nH]c1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001041954848 815779772 /nfs/dbraw/zinc/77/97/72/815779772.db2.gz REJIOELWTVAQFF-MWLCHTKSSA-N -1 0 317.353 -0.030 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C3CC=CC3)C2)c1[O-] ZINC001042239556 815864940 /nfs/dbraw/zinc/86/49/40/815864940.db2.gz GGWSCQDEDDGKPP-UHFFFAOYSA-N -1 0 320.349 -0.307 20 0 DBADRM CSCC(=O)N1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001042572444 815956291 /nfs/dbraw/zinc/95/62/91/815956291.db2.gz KLDUJVDGDDOGMA-UHFFFAOYSA-N -1 0 314.367 -0.910 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)[C@H]3CC3(C)C)C2)c1[O-] ZINC001042573078 815956501 /nfs/dbraw/zinc/95/65/01/815956501.db2.gz VOCFWEDZJPLCNO-SECBINFHSA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)C[C@H]3C[C@H]3C)C2)c1[O-] ZINC001042575881 815958739 /nfs/dbraw/zinc/95/87/39/815958739.db2.gz FPLHEONARDSHGC-PSASIEDQSA-N -1 0 322.365 -0.227 20 0 DBADRM CN(C(=O)Cc1cccnc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042617934 815969111 /nfs/dbraw/zinc/96/91/11/815969111.db2.gz TZYXFHVZTJSFBF-UHFFFAOYSA-N -1 0 302.338 -0.209 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(CCn3cncn3)C2)c1[O-] ZINC001042620038 815970098 /nfs/dbraw/zinc/97/00/98/815970098.db2.gz SINYZDPOEDCWPI-UHFFFAOYSA-N -1 0 305.342 -0.528 20 0 DBADRM Cc1nnc(CN2CC(N(C)C(=O)c3n[nH]c(C)c3[O-])C2)[nH]1 ZINC001042619377 815970166 /nfs/dbraw/zinc/97/01/66/815970166.db2.gz AJWWWWCJCZQKJC-UHFFFAOYSA-N -1 0 305.342 -0.193 20 0 DBADRM CCN1CC[C@@H](N2CC(N(C)C(=O)c3n[nH]c(C)c3[O-])C2)C1=O ZINC001042619807 815970283 /nfs/dbraw/zinc/97/02/83/815970283.db2.gz NDECDXAXWARUMX-LLVKDONJSA-N -1 0 321.381 -0.199 20 0 DBADRM C[C@H]1OCCC[C@H]1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042661725 815984973 /nfs/dbraw/zinc/98/49/73/815984973.db2.gz KWHANPHPSCZEIG-MWLCHTKSSA-N -1 0 309.370 -0.032 20 0 DBADRM Cc1cn(C)nc1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042705289 816000510 /nfs/dbraw/zinc/00/05/10/816000510.db2.gz BKRPNQPCACYAIH-UHFFFAOYSA-N -1 0 305.342 -0.491 20 0 DBADRM COc1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)ncn1 ZINC001042730813 816010676 /nfs/dbraw/zinc/01/06/76/816010676.db2.gz PUARDMKUUQUZAM-UHFFFAOYSA-N -1 0 319.325 -0.735 20 0 DBADRM Cc1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)c(C)nn1 ZINC001042794795 816025765 /nfs/dbraw/zinc/02/57/65/816025765.db2.gz INSSBKIPQRLRMZ-UHFFFAOYSA-N -1 0 317.353 -0.126 20 0 DBADRM CCN1C[C@@H](C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001042841980 816042493 /nfs/dbraw/zinc/04/24/93/816042493.db2.gz QMVBPZMZRHWFNJ-VIFPVBQESA-N -1 0 322.369 -0.979 20 0 DBADRM CO[C@H]1CC[C@H](C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001043149630 816128295 /nfs/dbraw/zinc/12/82/95/816128295.db2.gz GSCUXYANELPMTF-ONGXEEELSA-N -1 0 309.370 -0.032 20 0 DBADRM CO[C@@H]1CC[C@@H](C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001043149629 816128670 /nfs/dbraw/zinc/12/86/70/816128670.db2.gz GSCUXYANELPMTF-MWLCHTKSSA-N -1 0 309.370 -0.032 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC(=O)N1 ZINC001043186136 816136870 /nfs/dbraw/zinc/13/68/70/816136870.db2.gz DZVOOXTYXPCOOR-BDAKNGLRSA-N -1 0 322.369 -0.932 20 0 DBADRM CN(C(=O)c1coc(C(N)=O)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043461995 816193543 /nfs/dbraw/zinc/19/35/43/816193543.db2.gz PFBQEPCSOWSMSF-UHFFFAOYSA-N -1 0 320.309 -0.841 20 0 DBADRM CN(C(=O)C[C@@H]1CCC(=O)N1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043510414 816206599 /nfs/dbraw/zinc/20/65/99/816206599.db2.gz NNNPWYWSHXUFFE-VIFPVBQESA-N -1 0 322.369 -0.836 20 0 DBADRM COC[C@H](C)N1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001043511129 816207532 /nfs/dbraw/zinc/20/75/32/816207532.db2.gz RWHLTRKCVCQONX-VIFPVBQESA-N -1 0 310.354 -0.723 20 0 DBADRM C[C@@H]1COCC[C@@H]1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043800662 816273268 /nfs/dbraw/zinc/27/32/68/816273268.db2.gz XPFYOBXKQHAVLB-KOLCDFICSA-N -1 0 309.370 -0.175 20 0 DBADRM CN(C(=O)c1cc(C(N)=O)co1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043839901 816285642 /nfs/dbraw/zinc/28/56/42/816285642.db2.gz USTVZXQGBBPNIZ-UHFFFAOYSA-N -1 0 320.309 -0.841 20 0 DBADRM C[C@@H](O)CN1CC(N(C)C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001044016794 816336968 /nfs/dbraw/zinc/33/69/68/816336968.db2.gz ACKTZZCZUOTOCV-SECBINFHSA-N -1 0 305.338 -0.840 20 0 DBADRM Cc1nc(CN2CC(N(C)C(=O)Cn3c(=O)[n-][nH]c3=O)C2)co1 ZINC001044236001 816389609 /nfs/dbraw/zinc/38/96/09/816389609.db2.gz FURYTMMGMROFDY-UHFFFAOYSA-N -1 0 322.325 -0.671 20 0 DBADRM Cn1nncc1C(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001045427351 816630883 /nfs/dbraw/zinc/63/08/83/816630883.db2.gz YEYWKTHGGADZGE-UHFFFAOYSA-N -1 0 320.357 -0.577 20 0 DBADRM Cn1ncc(C(=O)NC2(C)CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001045586198 816661312 /nfs/dbraw/zinc/66/13/12/816661312.db2.gz BQOWBRUXUOPJAI-UHFFFAOYSA-N -1 0 320.357 -0.577 20 0 DBADRM CC(C)C(=O)N1CCN([C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001046005459 816715312 /nfs/dbraw/zinc/71/53/12/816715312.db2.gz RLKRKGIDGHTSIC-LBPRGKRZSA-N -1 0 322.413 -0.115 20 0 DBADRM C[C@]1(NC(=O)C2=COCCO2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046113665 816757524 /nfs/dbraw/zinc/75/75/24/816757524.db2.gz LPDBANCAKJTIDV-ZDUSSCGKSA-N -1 0 309.326 -0.521 20 0 DBADRM CCC1(C(=O)NCC2(O)CN(C(=O)c3n[nH]c(C)c3[O-])C2)CC1 ZINC001046135015 816763663 /nfs/dbraw/zinc/76/36/63/816763663.db2.gz RAPOCKJDVMTWIX-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM C[C@]1(NC(=O)[C@@H]2COCCO2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046154259 816768300 /nfs/dbraw/zinc/76/83/00/816768300.db2.gz XDRBBQISVQKJQZ-ZANVPECISA-N -1 0 311.342 -0.994 20 0 DBADRM Cn1nccc1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046189814 816774667 /nfs/dbraw/zinc/77/46/67/816774667.db2.gz OWFPOHPDUIRFFB-ZDUSSCGKSA-N -1 0 305.342 -0.362 20 0 DBADRM C[C@]1(NC(=O)[C@H]2CCNC(=O)C2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046235615 816789016 /nfs/dbraw/zinc/78/90/16/816789016.db2.gz IGBFPWOEEGDMGW-XPTSAGLGSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@@]1(NC(=O)[C@@H]2CCNC(=O)C2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046235616 816789078 /nfs/dbraw/zinc/78/90/78/816789078.db2.gz IGBFPWOEEGDMGW-YMTOWFKASA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(Cc3cnn(C)n3)C2)c1[O-] ZINC001046239563 816789950 /nfs/dbraw/zinc/78/99/50/816789950.db2.gz LUYJHVCLYRQNLO-AWEZNQCLSA-N -1 0 319.369 -0.053 20 0 DBADRM CC[C@@H](C(N)=O)N1CC[C@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001046238569 816790036 /nfs/dbraw/zinc/79/00/36/816790036.db2.gz GVHAOSAWOZNDTF-XPTSAGLGSA-N -1 0 309.370 -0.118 20 0 DBADRM CC[C@H](C(N)=O)N1CC[C@@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001046238570 816790073 /nfs/dbraw/zinc/79/00/73/816790073.db2.gz GVHAOSAWOZNDTF-YMTOWFKASA-N -1 0 309.370 -0.118 20 0 DBADRM Cn1cnc(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001046241608 816791494 /nfs/dbraw/zinc/79/14/94/816791494.db2.gz LYHLJOPMXCDCNZ-ZDUSSCGKSA-N -1 0 305.342 -0.362 20 0 DBADRM Cn1cc(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001046292123 816809492 /nfs/dbraw/zinc/80/94/92/816809492.db2.gz JBYXBZPOTOTAGN-LBPRGKRZSA-N -1 0 306.330 -0.967 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046307391 816813741 /nfs/dbraw/zinc/81/37/41/816813741.db2.gz AMDTZOIHVFGQFF-CQSZACIVSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@@]1(NC(=O)[C@H]2CCCC(=O)N2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046402588 816839994 /nfs/dbraw/zinc/83/99/94/816839994.db2.gz IZJDEQRBEJVILT-YMTOWFKASA-N -1 0 322.369 -0.740 20 0 DBADRM C[C@@]1(NC(=O)[C@@H]2CCC(=O)NC2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046445634 816853120 /nfs/dbraw/zinc/85/31/20/816853120.db2.gz SPZZBHOOIZRCKE-YMTOWFKASA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@@]1(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046559001 816885856 /nfs/dbraw/zinc/88/58/56/816885856.db2.gz ZZESYIPUPQIAKS-OCYKMNHNSA-N -1 0 307.354 -0.517 20 0 DBADRM CC(=O)N(C)[C@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O ZINC001047272256 817031206 /nfs/dbraw/zinc/03/12/06/817031206.db2.gz XJTYFQZEIMBWHS-RYUDHWBXSA-N -1 0 305.338 -0.954 20 0 DBADRM CN(C(=O)C1=COCCC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047319639 817060223 /nfs/dbraw/zinc/06/02/23/817060223.db2.gz IFBMGOVTGQANMJ-QWRGUYRKSA-N -1 0 323.353 -0.792 20 0 DBADRM CN(C(=O)C1(C)CCC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047487996 817163804 /nfs/dbraw/zinc/16/38/04/817163804.db2.gz XQJRMPILZXTNKG-UWVGGRQHSA-N -1 0 309.370 -0.296 20 0 DBADRM CN(C(=O)[C@H]1CCC1(C)C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047494883 817167977 /nfs/dbraw/zinc/16/79/77/817167977.db2.gz UUVFEYQCWJSRDK-VWYCJHECSA-N -1 0 323.397 -0.050 20 0 DBADRM CN(C(=O)[C@@H]1CC12CC2)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047543797 817192917 /nfs/dbraw/zinc/19/29/17/817192917.db2.gz XTXGKUFKUOJWQG-GUBZILKMSA-N -1 0 307.354 -0.686 20 0 DBADRM O=C(C[C@H]1CCCO1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048695787 817403114 /nfs/dbraw/zinc/40/31/14/817403114.db2.gz PAMSZUDWLFMDBF-GRYCIOLGSA-N -1 0 321.381 -0.030 20 0 DBADRM CO[C@H](C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1)C1CC1 ZINC001048794655 817438443 /nfs/dbraw/zinc/43/84/43/817438443.db2.gz YEDJTTSNSQTFRJ-LOWVWBTDSA-N -1 0 321.381 -0.175 20 0 DBADRM O=C(c1ncc[nH]1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048808548 817444135 /nfs/dbraw/zinc/44/41/35/817444135.db2.gz LNHYSJJPGYPQRX-DTORHVGOSA-N -1 0 303.326 -0.563 20 0 DBADRM CNC(=O)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1n[nH]c(C)c1[O-] ZINC001049424145 817591301 /nfs/dbraw/zinc/59/13/01/817591301.db2.gz ZVWGSJDTSKZFCA-MNOVXSKESA-N -1 0 321.381 -0.151 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001049684156 817626520 /nfs/dbraw/zinc/62/65/20/817626520.db2.gz DLTUTYWJLSNBQR-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001050508686 817723351 /nfs/dbraw/zinc/72/33/51/817723351.db2.gz DTDXPKHNGRRXFQ-GFCCVEGCSA-N -1 0 323.397 -0.048 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1cccnc1 ZINC001050787136 817757530 /nfs/dbraw/zinc/75/75/30/817757530.db2.gz JQXXOFUXXTYUNJ-LLVKDONJSA-N -1 0 318.337 -0.464 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ccon1 ZINC001050831442 817768579 /nfs/dbraw/zinc/76/85/79/817768579.db2.gz VYJDZTNUTFAJTG-QMMMGPOBSA-N -1 0 308.298 -0.871 20 0 DBADRM Cc1ncc(C(=O)NC[C@@H]2COCCN2Cc2n[nH]c(=O)[n-]2)[nH]1 ZINC001050845448 817774306 /nfs/dbraw/zinc/77/43/06/817774306.db2.gz RELOBYFQQDIMHS-SECBINFHSA-N -1 0 321.341 -0.827 20 0 DBADRM CC(C)=CCN1CCOC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001051004246 817820521 /nfs/dbraw/zinc/82/05/21/817820521.db2.gz AKCBVQLNFKQDPA-JTQLQIEISA-N -1 0 323.353 -0.320 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1cc(F)c[nH]1 ZINC001051030592 817827506 /nfs/dbraw/zinc/82/75/06/817827506.db2.gz CGGYKCROSNRHCI-SECBINFHSA-N -1 0 324.316 -0.392 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001051123006 817851333 /nfs/dbraw/zinc/85/13/33/817851333.db2.gz MQOLQIJQJOTQJW-OUAUKWLOSA-N -1 0 309.370 -0.127 20 0 DBADRM CCCN1CCOC[C@@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC001051156582 817859254 /nfs/dbraw/zinc/85/92/54/817859254.db2.gz UPRAVRJVDXHBDB-NSHDSACASA-N -1 0 319.365 -0.137 20 0 DBADRM Cc1conc1C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001051197194 817874075 /nfs/dbraw/zinc/87/40/75/817874075.db2.gz KQFZCUCWJOCXFD-VIFPVBQESA-N -1 0 322.325 -0.562 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3ncccn3)C[C@H]2O)c1[O-] ZINC001051670033 817993923 /nfs/dbraw/zinc/99/39/23/817993923.db2.gz SWSUTKBCRAWFRP-NXEZZACHSA-N -1 0 318.337 -0.417 20 0 DBADRM CC(=O)N1C[C@H](C)[C@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001051706780 818009250 /nfs/dbraw/zinc/00/92/50/818009250.db2.gz MYMYCSLZCBJSMR-WCBMZHEXSA-N -1 0 323.353 -0.554 20 0 DBADRM CC(=O)N1C[C@H](C)[C@@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001051706781 818009572 /nfs/dbraw/zinc/00/95/72/818009572.db2.gz MYMYCSLZCBJSMR-WPRPVWTQSA-N -1 0 323.353 -0.554 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NCc3nncn3C)C2)c1[O-] ZINC001054579727 818141943 /nfs/dbraw/zinc/14/19/43/818141943.db2.gz JAPCFGWGHOKQBI-PSASIEDQSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NCc1ccon1 ZINC001054858854 818189477 /nfs/dbraw/zinc/18/94/77/818189477.db2.gz CHLUILNGALPFEW-VXNVDRBHSA-N -1 0 320.309 -0.479 20 0 DBADRM CCOCC(=O)N1C[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2C1 ZINC001055140967 818220122 /nfs/dbraw/zinc/22/01/22/818220122.db2.gz XQFSEOLKMBSMNT-PHIMTYICSA-N -1 0 322.365 -0.009 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](Nc2ncc(F)cn2)C1 ZINC001056678371 818433672 /nfs/dbraw/zinc/43/36/72/818433672.db2.gz UXPAUQYMYSRMAS-MRVPVSSYSA-N -1 0 323.288 -0.669 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)/C=C\C2CC2)c1[O-] ZINC001057267860 818671471 /nfs/dbraw/zinc/67/14/71/818671471.db2.gz JLXPBEPMVKKUSQ-PLNGDYQASA-N -1 0 322.365 -0.059 20 0 DBADRM CCOCC(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057353823 818696076 /nfs/dbraw/zinc/69/60/76/818696076.db2.gz GPAFANYBPGTLKI-UHFFFAOYSA-N -1 0 314.342 -0.989 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)C2CCC2)c1[O-] ZINC001057353813 818696529 /nfs/dbraw/zinc/69/65/29/818696529.db2.gz GLXIWRGAZFMWKC-UHFFFAOYSA-N -1 0 310.354 -0.225 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)c2cc[nH]c2)c1[O-] ZINC001057356916 818697511 /nfs/dbraw/zinc/69/75/11/818697511.db2.gz FQIKJSVOULLDDH-UHFFFAOYSA-N -1 0 321.337 -0.384 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H](Nc2ncccn2)C1 ZINC001057674914 818785918 /nfs/dbraw/zinc/78/59/18/818785918.db2.gz WIGVHGVJLNERFW-VIFPVBQESA-N -1 0 319.325 -0.418 20 0 DBADRM Cc1ccc(N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)nn1 ZINC001058413077 818945772 /nfs/dbraw/zinc/94/57/72/818945772.db2.gz KMVZKGDITRHXJJ-SECBINFHSA-N -1 0 319.325 -0.817 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](Nc2cccc(F)n2)C1 ZINC001058936862 819080965 /nfs/dbraw/zinc/08/09/65/819080965.db2.gz YTILZFCCQOSGGG-QMMMGPOBSA-N -1 0 322.300 -0.064 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)[C@H]2CC23CC3)c1[O-] ZINC001058940096 819083365 /nfs/dbraw/zinc/08/33/65/819083365.db2.gz ZOPBYTVAEDGQOG-SNVBAGLBSA-N -1 0 322.365 -0.225 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](Nc2nccnc2F)C1 ZINC001059118136 819111160 /nfs/dbraw/zinc/11/11/60/819111160.db2.gz AHJLIVAYOHXEEQ-LURJTMIESA-N -1 0 321.272 -0.462 20 0 DBADRM Cc1nccc(N[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001059468283 819146595 /nfs/dbraw/zinc/14/65/95/819146595.db2.gz FGWVTFIUTZDTND-ZKCHVHJHSA-N -1 0 317.309 -0.246 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](Nc2cnc(F)cn2)C1 ZINC001059689736 819167136 /nfs/dbraw/zinc/16/71/36/819167136.db2.gz YUWRBLKAHMNVBL-KNVOCYPGSA-N -1 0 323.288 -0.622 20 0 DBADRM Cc1ccnc(N[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001059882240 819183064 /nfs/dbraw/zinc/18/30/64/819183064.db2.gz AKFPRRVHQJXHLQ-OCAPTIKFSA-N -1 0 317.309 -0.246 20 0 DBADRM Cc1nsc(N[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001059882496 819183340 /nfs/dbraw/zinc/18/33/40/819183340.db2.gz PKBWZYHKNCQXOT-OLQVQODUSA-N -1 0 323.338 -0.184 20 0 DBADRM Cc1ccc(N[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1 ZINC001059882324 819183697 /nfs/dbraw/zinc/18/36/97/819183697.db2.gz FWLMOOOJHPJUHK-OCAPTIKFSA-N -1 0 317.309 -0.246 20 0 DBADRM CC(=O)NCC[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001060053635 819192397 /nfs/dbraw/zinc/19/23/97/819192397.db2.gz OJSNBYITJYMQKS-JTQLQIEISA-N -1 0 308.338 -0.526 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3nnc[nH]3)CCC2)c1[O-] ZINC001062807692 819542955 /nfs/dbraw/zinc/54/29/55/819542955.db2.gz PSMATDZQGKCGIQ-UHFFFAOYSA-N -1 0 319.325 -0.376 20 0 DBADRM CC1(C(=O)NCC2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CCC2)CC1 ZINC001063309540 819594758 /nfs/dbraw/zinc/59/47/58/819594758.db2.gz MDMMASUIFQMYAQ-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM O=C(NCC1(NC(=O)C(F)F)CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001063788847 819638795 /nfs/dbraw/zinc/63/87/95/819638795.db2.gz UYHSCFVSLNBIFG-UHFFFAOYSA-N -1 0 317.252 -0.683 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001063866107 819641443 /nfs/dbraw/zinc/64/14/43/819641443.db2.gz WLPPYLSDFWWHCT-RKDXNWHRSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001063866106 819641448 /nfs/dbraw/zinc/64/14/48/819641448.db2.gz WLPPYLSDFWWHCT-IUCAKERBSA-N -1 0 323.353 -0.500 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(NC(=O)C2CCC2)CCC1 ZINC001063866217 819641632 /nfs/dbraw/zinc/64/16/32/819641632.db2.gz XAMDBQVVBVBART-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM C/C=C(\C)C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001063866247 819642002 /nfs/dbraw/zinc/64/20/02/819642002.db2.gz YJKXMELGHGSDFJ-YCRREMRBSA-N -1 0 323.353 -0.189 20 0 DBADRM CN(CCCN(C)C(=O)C(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001066574692 820019868 /nfs/dbraw/zinc/01/98/68/820019868.db2.gz NHCFXPWNHKIPLR-UHFFFAOYSA-N -1 0 319.268 -0.532 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1Nc1ncccn1 ZINC001067227183 820079369 /nfs/dbraw/zinc/07/93/69/820079369.db2.gz HKWQNDYJFYRCTK-JGVFFNPUSA-N -1 0 317.309 -0.355 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1Nc1ncccn1 ZINC001067227184 820079782 /nfs/dbraw/zinc/07/97/82/820079782.db2.gz HKWQNDYJFYRCTK-SFYZADRCSA-N -1 0 317.309 -0.355 20 0 DBADRM C[C@@H]1[C@@H](Nc2ncccn2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001068873071 820261310 /nfs/dbraw/zinc/26/13/10/820261310.db2.gz WQDFIJAMSCAAQP-BDAKNGLRSA-N -1 0 319.325 -0.419 20 0 DBADRM C[C@H]1C[C@H](Nc2ncccn2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001069228535 820290664 /nfs/dbraw/zinc/29/06/64/820290664.db2.gz LARJUORNOPPWFJ-YUMQZZPRSA-N -1 0 317.309 -0.212 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001071033659 820612141 /nfs/dbraw/zinc/61/21/41/820612141.db2.gz NTRHZMCOURFLPM-PTDYZRSTSA-N -1 0 321.337 -0.030 20 0 DBADRM CCCC(=O)N[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001071058253 820614940 /nfs/dbraw/zinc/61/49/40/820614940.db2.gz GZDBNDHFKSMNBI-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]cn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071846444 820794034 /nfs/dbraw/zinc/79/40/34/820794034.db2.gz AMTPUSOIDHTBAX-VHSXEESVSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)c2cnn(C)n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071893685 820801798 /nfs/dbraw/zinc/80/17/98/820801798.db2.gz RJLFEEMXNNOKTJ-BDAKNGLRSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)c2cnon2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071913678 820807718 /nfs/dbraw/zinc/80/77/18/820807718.db2.gz HFUSQFBHMIIJDX-SFYZADRCSA-N -1 0 307.314 -0.324 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)Cc2ncc[nH]2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071938390 820813771 /nfs/dbraw/zinc/81/37/71/820813771.db2.gz NESNKJGCOIBOEZ-ZJUUUORDSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)Cn2cncn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001072052972 820854363 /nfs/dbraw/zinc/85/43/63/820854363.db2.gz QOCAFKPHGSGXFY-UWVGGRQHSA-N -1 0 320.357 -0.729 20 0 DBADRM O=C(c1cnccn1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072413852 820914383 /nfs/dbraw/zinc/91/43/83/820914383.db2.gz DLMRHEIRGOKHJR-UHFFFAOYSA-N -1 0 315.337 -0.352 20 0 DBADRM CC(C)CC(=O)N[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001072452248 820923445 /nfs/dbraw/zinc/92/34/45/820923445.db2.gz AHTHTORIAJSHQJ-IUCAKERBSA-N -1 0 323.353 -0.094 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001072482875 820928946 /nfs/dbraw/zinc/92/89/46/820928946.db2.gz AHFHCUXOAUYQMM-GNKRQNHBSA-N -1 0 323.353 -0.381 20 0 DBADRM O=C(c1cn[nH]c1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072511605 820936369 /nfs/dbraw/zinc/93/63/69/820936369.db2.gz NOKMAPNVYXXSNK-UHFFFAOYSA-N -1 0 303.326 -0.419 20 0 DBADRM O=C(c1ccon1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072512946 820936649 /nfs/dbraw/zinc/93/66/49/820936649.db2.gz PYALSPYQHIRTAG-UHFFFAOYSA-N -1 0 304.310 -0.154 20 0 DBADRM O=C([C@H]1CCCOC1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072538933 820946486 /nfs/dbraw/zinc/94/64/86/820946486.db2.gz AGADBMVFLJAPJZ-NSHDSACASA-N -1 0 321.381 -0.029 20 0 DBADRM O=C(C1=CCOCC1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072656323 820980083 /nfs/dbraw/zinc/98/00/83/820980083.db2.gz XJRJUDQWTHKVBU-UHFFFAOYSA-N -1 0 319.365 -0.109 20 0 DBADRM O=C(Cc1cnoc1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072909338 821045878 /nfs/dbraw/zinc/04/58/78/821045878.db2.gz WHKRRAJYRSABQQ-UHFFFAOYSA-N -1 0 318.337 -0.225 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1ccc[nH]1 ZINC001073532455 821148336 /nfs/dbraw/zinc/14/83/36/821148336.db2.gz SMDLSASOENBGDD-SNVBAGLBSA-N -1 0 320.353 -0.141 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1cn[nH]c1 ZINC001073545767 821155333 /nfs/dbraw/zinc/15/53/33/821155333.db2.gz SJSBZOKHBXMKDL-SNVBAGLBSA-N -1 0 321.341 -0.746 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1cn[nH]c1 ZINC001073545766 821156286 /nfs/dbraw/zinc/15/62/86/821156286.db2.gz SJSBZOKHBXMKDL-JTQLQIEISA-N -1 0 321.341 -0.746 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC001074049471 821283415 /nfs/dbraw/zinc/28/34/15/821283415.db2.gz PNRAHAAOAMWLHU-WPRPVWTQSA-N -1 0 323.353 -0.412 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3OCCN(CCO)[C@@H]3C2)c1[O-] ZINC001074219935 821310914 /nfs/dbraw/zinc/31/09/14/821310914.db2.gz ZJISRTZBMGNPBN-GHMZBOCLSA-N -1 0 310.354 -0.669 20 0 DBADRM CCN1CCO[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC001074286708 821328226 /nfs/dbraw/zinc/32/82/26/821328226.db2.gz QFBJBWKTMDHLFQ-DTWKUNHWSA-N -1 0 309.326 -0.782 20 0 DBADRM CCC(=O)NCC[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001075214937 821496920 /nfs/dbraw/zinc/49/69/20/821496920.db2.gz JSWFDAZTYWKLBF-VIFPVBQESA-N -1 0 320.353 -0.508 20 0 DBADRM CC(=O)N1CCC[C@@H](n2cc(CNCc3n[nH]c(=O)[n-]3)nn2)C1 ZINC001075372588 821512153 /nfs/dbraw/zinc/51/21/53/821512153.db2.gz FEGCNFGSZCBTSW-LLVKDONJSA-N -1 0 320.357 -0.425 20 0 DBADRM O=C(C[C@@H]1CCOC1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075635302 821562766 /nfs/dbraw/zinc/56/27/66/821562766.db2.gz BGHOPDAAYCPRSL-SDDRHHMPSA-N -1 0 321.381 -0.030 20 0 DBADRM O=C(N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@]12C[C@H]1COC2 ZINC001075818816 821607562 /nfs/dbraw/zinc/60/75/62/821607562.db2.gz IHNFMHKEUGSBRB-ZVXAKGHKSA-N -1 0 319.365 -0.421 20 0 DBADRM C[C@@H](CCNC(=O)C1CC=CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001076008232 821650665 /nfs/dbraw/zinc/65/06/65/821650665.db2.gz INEXYPXRYNVXIU-VIFPVBQESA-N -1 0 323.353 -0.334 20 0 DBADRM C[C@@H](C(=O)NCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001076062659 821660235 /nfs/dbraw/zinc/66/02/35/821660235.db2.gz LZEKYYAOQTUPKH-JGVFFNPUSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076149818 821673384 /nfs/dbraw/zinc/67/33/84/821673384.db2.gz BSYUHAWNNYOEKY-ZTVLKNOQSA-N -1 0 319.365 -0.565 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)c2cnn(C)n2)c1[O-] ZINC001076165941 821676846 /nfs/dbraw/zinc/67/68/46/821676846.db2.gz UPBKOXRXQUVTLQ-ZETCQYMHSA-N -1 0 321.341 -0.509 20 0 DBADRM O=C(c1cnon1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076379800 821739949 /nfs/dbraw/zinc/73/99/49/821739949.db2.gz ZIFSNKKSXUMIBO-IONNQARKSA-N -1 0 305.298 -0.760 20 0 DBADRM CCCC(=O)NCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001112660859 828370903 /nfs/dbraw/zinc/37/09/03/828370903.db2.gz QCPUHGHAMKNCRK-UHFFFAOYSA-N -1 0 310.358 -0.929 20 0 DBADRM O=C(N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1O)C1CC1 ZINC001076663248 821798465 /nfs/dbraw/zinc/79/84/65/821798465.db2.gz DCDJBJBEGHWFHB-VXGBXAGGSA-N -1 0 317.349 -0.906 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cccc(F)c1 ZINC001076702553 821812914 /nfs/dbraw/zinc/81/29/14/821812914.db2.gz BERPWIBNICNOJB-GHMZBOCLSA-N -1 0 321.312 -0.376 20 0 DBADRM O=C(Cc1ccsc1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076706895 821816112 /nfs/dbraw/zinc/81/61/12/821816112.db2.gz YZKAZFHMEFMVPM-NXEZZACHSA-N -1 0 323.378 -0.524 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@@H]1CC=CCC1 ZINC001076734048 821828502 /nfs/dbraw/zinc/82/85/02/821828502.db2.gz XYSJFHUFNCOEEX-GMTAPVOTSA-N -1 0 307.354 -0.472 20 0 DBADRM Cc1noc(CN2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001076890029 821906888 /nfs/dbraw/zinc/90/68/88/821906888.db2.gz FUPXSIQLQGBYJW-RKDXNWHRSA-N -1 0 322.325 -0.910 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)co1 ZINC001076929225 821928500 /nfs/dbraw/zinc/92/85/00/821928500.db2.gz XWCNJCFWCIGMTG-NXEZZACHSA-N -1 0 307.310 -0.613 20 0 DBADRM Cc1csc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1 ZINC001076970417 821950485 /nfs/dbraw/zinc/95/04/85/821950485.db2.gz MFMLXLYVICGIMB-RKDXNWHRSA-N -1 0 323.378 -0.145 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)Cn2ccnc2)c1[O-] ZINC001077182512 822018629 /nfs/dbraw/zinc/01/86/29/822018629.db2.gz SZWYBZLWSYHBHI-VIFPVBQESA-N -1 0 320.353 -0.055 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C12CCC(CC1)C2 ZINC001077238696 822043043 /nfs/dbraw/zinc/04/30/43/822043043.db2.gz NSEPFEBULQJTFJ-YJVGMPMCSA-N -1 0 321.381 -0.248 20 0 DBADRM C[C@]1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)C=CCC1 ZINC001077528703 822140484 /nfs/dbraw/zinc/14/04/84/822140484.db2.gz ALOPWFKCIXDOTH-RULNRJAQSA-N -1 0 307.354 -0.472 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC2(CCC2)C1 ZINC001077535363 822143634 /nfs/dbraw/zinc/14/36/34/822143634.db2.gz YYMYZNYGVVEFJG-GHMZBOCLSA-N -1 0 321.381 -0.248 20 0 DBADRM C[C@@H](CCNC(=O)c1cnco1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077562412 822152566 /nfs/dbraw/zinc/15/25/66/822152566.db2.gz HDOYBKAIWBNYEJ-ZETCQYMHSA-N -1 0 324.297 -0.998 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC12CC2 ZINC001077577812 822159076 /nfs/dbraw/zinc/15/90/76/822159076.db2.gz AIBDGFSWMFRASC-JGVFFNPUSA-N -1 0 321.337 -0.293 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077578113 822159180 /nfs/dbraw/zinc/15/91/80/822159180.db2.gz MMGNFQKFNHSDHX-DJLDLDEBSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1ccco1 ZINC001077679767 822187017 /nfs/dbraw/zinc/18/70/17/822187017.db2.gz CAKUYPFWZFLLSQ-QMMMGPOBSA-N -1 0 323.309 -0.393 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(F)F ZINC001077680174 822187838 /nfs/dbraw/zinc/18/78/38/822187838.db2.gz VFWLGOAZJYTIHA-LURJTMIESA-N -1 0 321.284 -0.645 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CCNC2=O)c1[O-] ZINC001077730495 822205159 /nfs/dbraw/zinc/20/51/59/822205159.db2.gz COAQDGWKXJNNCX-CBAPKCEASA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(CC(=O)NCC3CC3)CC2)c1[O-] ZINC001112769006 828406157 /nfs/dbraw/zinc/40/61/57/828406157.db2.gz RXIFZMVELDQKFB-UHFFFAOYSA-N -1 0 321.381 -0.292 20 0 DBADRM CCOCC1(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001113035304 828451103 /nfs/dbraw/zinc/45/11/03/828451103.db2.gz UGMVMXPAJRWMMG-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM Cc1cc(N[C@@H](C)[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001113110721 828458862 /nfs/dbraw/zinc/45/88/62/828458862.db2.gz WFFWUDMDIVHEQN-IUCAKERBSA-N -1 0 321.341 -0.207 20 0 DBADRM Cc1ccc(N[C@@H](C)[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001113110053 828458981 /nfs/dbraw/zinc/45/89/81/828458981.db2.gz MBYIYCBGQWBNQV-IUCAKERBSA-N -1 0 321.341 -0.207 20 0 DBADRM C[C@@H](Nc1ncccn1)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001113110708 828459043 /nfs/dbraw/zinc/45/90/43/828459043.db2.gz WBXMKTWBSVXMRI-JGVFFNPUSA-N -1 0 307.314 -0.515 20 0 DBADRM Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001113110720 828459049 /nfs/dbraw/zinc/45/90/49/828459049.db2.gz WFFWUDMDIVHEQN-DTWKUNHWSA-N -1 0 321.341 -0.207 20 0 DBADRM C[C@@H](Nc1ncccn1)[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001113249645 828473674 /nfs/dbraw/zinc/47/36/74/828473674.db2.gz WLJAHXSCIJOGJT-DTWKUNHWSA-N -1 0 318.337 -0.105 20 0 DBADRM O=C(CCCn1cccn1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113649960 828534138 /nfs/dbraw/zinc/53/41/38/828534138.db2.gz ZVVWOHDBMSRMSO-UHFFFAOYSA-N -1 0 319.369 -0.169 20 0 DBADRM CCN(C(C)=O)C1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001079167298 823846857 /nfs/dbraw/zinc/84/68/57/823846857.db2.gz WDJYXURCJNIHPS-UHFFFAOYSA-N -1 0 311.342 -0.451 20 0 DBADRM Cc1nn(C)cc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001079499976 823901679 /nfs/dbraw/zinc/90/16/79/823901679.db2.gz YNZWZLLWYQOAKF-LDYMZIIASA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1nccnc1N ZINC001079505346 823903264 /nfs/dbraw/zinc/90/32/64/823903264.db2.gz UANPYVUTPODIPU-HTQZYQBOSA-N -1 0 318.341 -0.867 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cnn(C)n3)C[C@H]2C)c1[O-] ZINC001079579652 823917787 /nfs/dbraw/zinc/91/77/87/823917787.db2.gz SBITYQRFYCFEPL-LDYMZIIASA-N -1 0 319.369 -0.197 20 0 DBADRM CC[C@@H](C(N)=O)N1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001079573847 823917875 /nfs/dbraw/zinc/91/78/75/823917875.db2.gz PXASQYPKYWLBQC-QNSHHTMESA-N -1 0 309.370 -0.262 20 0 DBADRM CNC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001079579769 823918303 /nfs/dbraw/zinc/91/83/03/823918303.db2.gz YNYSRZYXQBQFCN-FKTZTGRPSA-N -1 0 309.370 -0.392 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)ncn1 ZINC001079586806 823919764 /nfs/dbraw/zinc/91/97/64/823919764.db2.gz FPMISSMEMLFOOF-LDYMZIIASA-N -1 0 317.353 -0.141 20 0 DBADRM Cc1nnc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)o1 ZINC001079659255 823938271 /nfs/dbraw/zinc/93/82/71/823938271.db2.gz YDFIXTCYNFUGMW-VXNVDRBHSA-N -1 0 321.341 -0.619 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cn[nH]c(=O)c1 ZINC001079911397 823981553 /nfs/dbraw/zinc/98/15/53/823981553.db2.gz NAWOPBURAMYXOU-VXNVDRBHSA-N -1 0 319.325 -0.744 20 0 DBADRM CCN(C(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CN(C(C)=O)C1 ZINC001080066896 823999102 /nfs/dbraw/zinc/99/91/02/823999102.db2.gz FAWCGCPXYOXSEE-UHFFFAOYSA-N -1 0 309.326 -0.705 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)c1nccnc1F ZINC001113968519 828597678 /nfs/dbraw/zinc/59/76/78/828597678.db2.gz VUBJYOXHRIAFBG-LURJTMIESA-N -1 0 323.288 -0.533 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC001080201250 824011979 /nfs/dbraw/zinc/01/19/79/824011979.db2.gz WYPIWCYTRFWFBM-WPRPVWTQSA-N -1 0 323.353 -0.595 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1csc(=O)[nH]1 ZINC001080296749 824026624 /nfs/dbraw/zinc/02/66/24/824026624.db2.gz XFTBWMNRGSHHPM-RNFRBKRXSA-N -1 0 324.366 -0.077 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1C ZINC001080314498 824026747 /nfs/dbraw/zinc/02/67/47/824026747.db2.gz DUOYXYOUQTXLIH-OPRDCNLKSA-N -1 0 322.369 -0.932 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001080675728 824078288 /nfs/dbraw/zinc/07/82/88/824078288.db2.gz CELGGSBHSDDGFO-RULNRJAQSA-N -1 0 309.370 -0.127 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001081044250 824123705 /nfs/dbraw/zinc/12/37/05/824123705.db2.gz VMXLHUFXMMVWSW-HTRCEHHLSA-N -1 0 307.314 -0.548 20 0 DBADRM C/C=C(\C)C(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001081391297 824232564 /nfs/dbraw/zinc/23/25/64/824232564.db2.gz KWLKEYHWGLHTGI-FVCIQNSBSA-N -1 0 322.365 -0.061 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cocn1 ZINC001081440523 824250368 /nfs/dbraw/zinc/25/03/68/824250368.db2.gz MRUUCEYGRWBTIU-VXNVDRBHSA-N -1 0 308.298 -0.873 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1ccon1 ZINC001081462033 824260637 /nfs/dbraw/zinc/26/06/37/824260637.db2.gz FXWHPYJTBKYPLA-NXEZZACHSA-N -1 0 322.325 -0.944 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ocnc1C ZINC001081495276 824274885 /nfs/dbraw/zinc/27/48/85/824274885.db2.gz BHPLDNZCBVUHLR-RKDXNWHRSA-N -1 0 322.325 -0.564 20 0 DBADRM CCCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-] ZINC001114140446 828632848 /nfs/dbraw/zinc/63/28/48/828632848.db2.gz GHLDCAMXUSAUCJ-IAZYJMLFSA-N -1 0 321.381 -0.390 20 0 DBADRM CO[C@@H](C)CCC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114167619 828639999 /nfs/dbraw/zinc/63/99/99/828639999.db2.gz DRQUJGGUYZZSHL-QISWUMQESA-N -1 0 309.370 -0.128 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1=CCOCC1 ZINC001081578793 824302373 /nfs/dbraw/zinc/30/23/73/824302373.db2.gz XARHHBYABGOEAQ-GHMZBOCLSA-N -1 0 323.353 -0.828 20 0 DBADRM C[C@@](O)(CC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1CC1 ZINC001114148199 828634807 /nfs/dbraw/zinc/63/48/07/828634807.db2.gz BZARTXJOXNZNFP-MHOHDPQLSA-N -1 0 321.381 -0.392 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccns1 ZINC001081751621 824345538 /nfs/dbraw/zinc/34/55/38/824345538.db2.gz QWEIUSDSORHMNV-HTQZYQBOSA-N -1 0 324.366 -0.404 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccsn1 ZINC001081839289 824365106 /nfs/dbraw/zinc/36/51/06/824365106.db2.gz GEKKNMGINMOGPN-RKDXNWHRSA-N -1 0 324.366 -0.404 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCC[C@H]2CNC(=O)CC(N)=O)c1[O-] ZINC001082006578 824385874 /nfs/dbraw/zinc/38/58/74/824385874.db2.gz QOSRUUQZEOLISH-VIFPVBQESA-N -1 0 323.353 -0.590 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1cnoc1 ZINC001082053812 824392327 /nfs/dbraw/zinc/39/23/27/824392327.db2.gz CLWLOONXVIYDLC-NXEZZACHSA-N -1 0 322.325 -0.944 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1oncc1C ZINC001082294127 824419740 /nfs/dbraw/zinc/41/97/40/824419740.db2.gz IPRYGTVICVOOIO-RKDXNWHRSA-N -1 0 322.325 -0.564 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1c[nH]cc1C ZINC001082367904 824429870 /nfs/dbraw/zinc/42/98/70/824429870.db2.gz CPSMXKRLBLOJIL-GHMZBOCLSA-N -1 0 320.353 -0.224 20 0 DBADRM CC[C@H](C)C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083005727 824478964 /nfs/dbraw/zinc/47/89/64/824478964.db2.gz IZYGPIYQWZTBDQ-GARJFASQSA-N -1 0 309.370 -0.032 20 0 DBADRM COC[C@H](C)N1C[C@H]2OCCN(C(=O)c3n[nH]c(C)c3[O-])[C@H]2C1 ZINC001083052463 824487263 /nfs/dbraw/zinc/48/72/63/824487263.db2.gz OKCNDGRJZJBJHX-ZMLRMANQSA-N -1 0 324.381 -0.016 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccc(F)nc1 ZINC001083370631 824581469 /nfs/dbraw/zinc/58/14/69/824581469.db2.gz BXHDABZEWQJVHQ-BDAKNGLRSA-N -1 0 322.300 -0.981 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001083393948 824596722 /nfs/dbraw/zinc/59/67/22/824596722.db2.gz JXQJRZFTRCZXEB-ULHKAFAUSA-N -1 0 307.354 -0.782 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CCn3cccn3)C[C@@H]2O)c1[O-] ZINC001083402936 824602219 /nfs/dbraw/zinc/60/22/19/824602219.db2.gz FEEGUVJFCWFSDL-MNOVXSKESA-N -1 0 320.353 -0.905 20 0 DBADRM Cc1ncoc1CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001083409912 824606161 /nfs/dbraw/zinc/60/61/61/824606161.db2.gz MMTOJBXEPVLQMN-ZJUUUORDSA-N -1 0 321.337 -0.305 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cncs3)C[C@@H]2O)c1[O-] ZINC001083409861 824606359 /nfs/dbraw/zinc/60/63/59/824606359.db2.gz KXNOBBINNQMGQE-ZJUUUORDSA-N -1 0 323.378 -0.145 20 0 DBADRM Cc1nc(CN2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)co1 ZINC001083409720 824606676 /nfs/dbraw/zinc/60/66/76/824606676.db2.gz GBVDMULWXYRJSG-MNOVXSKESA-N -1 0 321.337 -0.305 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cnoc3C)C[C@@H]2O)c1[O-] ZINC001083410383 824607370 /nfs/dbraw/zinc/60/73/70/824607370.db2.gz CQUXEVGPRYZWAV-MNOVXSKESA-N -1 0 321.337 -0.305 20 0 DBADRM CC(C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)=C1CCC1 ZINC001083452339 824633816 /nfs/dbraw/zinc/63/38/16/824633816.db2.gz FXIYGRJYPRORSG-MNOVXSKESA-N -1 0 307.354 -0.328 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@@H]1CCC1(F)F ZINC001083557208 824673231 /nfs/dbraw/zinc/67/32/31/824673231.db2.gz FROLUKWFHQCBDN-RNJXMRFFSA-N -1 0 317.296 -0.783 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@H]1CCC1(F)F ZINC001083557207 824673423 /nfs/dbraw/zinc/67/34/23/824673423.db2.gz FROLUKWFHQCBDN-PRJMDXOYSA-N -1 0 317.296 -0.783 20 0 DBADRM CC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CCCC1 ZINC001083680004 824724611 /nfs/dbraw/zinc/72/46/11/824724611.db2.gz HAFVWMRIRJTNGN-ZJUUUORDSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@@H]1C[C@H]1C1CC1 ZINC001083849534 824791864 /nfs/dbraw/zinc/79/18/64/824791864.db2.gz KKKQTDFRNIRHLP-ZDCRXTMVSA-N -1 0 307.354 -0.782 20 0 DBADRM Cn1cc(C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)cn1 ZINC001084179263 824905868 /nfs/dbraw/zinc/90/58/68/824905868.db2.gz FOBDDFSASXCCDI-MWLCHTKSSA-N -1 0 317.353 -0.410 20 0 DBADRM O=C([C@H]1CCOC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084222688 824910941 /nfs/dbraw/zinc/91/09/41/824910941.db2.gz FRIRRWZZCPXANV-OUAUKWLOSA-N -1 0 307.354 -0.421 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCN(CC(=O)N(C)C)C[C@H]32)c1[O-] ZINC001084282685 824917567 /nfs/dbraw/zinc/91/75/67/824917567.db2.gz APXYNWHKDLIUCK-GHMZBOCLSA-N -1 0 321.381 -0.342 20 0 DBADRM Cc1n[nH]cc1C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084563452 824949223 /nfs/dbraw/zinc/94/92/23/824949223.db2.gz FFJRTGSCTCEHIL-MWLCHTKSSA-N -1 0 317.353 -0.112 20 0 DBADRM C[C@]1(C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCOC1 ZINC001084742491 824971688 /nfs/dbraw/zinc/97/16/88/824971688.db2.gz RXIDJEIQACVWFB-HFAKWTLXSA-N -1 0 321.381 -0.030 20 0 DBADRM O=C([C@@H]1CCOC1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001084901549 824990555 /nfs/dbraw/zinc/99/05/55/824990555.db2.gz LRVGVMGQUIMLQC-UTUOFQBUSA-N -1 0 321.381 -0.030 20 0 DBADRM Cc1cnc(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001085468694 825020042 /nfs/dbraw/zinc/02/00/42/825020042.db2.gz YQENBNMGAQFKLP-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCCOC1 ZINC001085514555 825030577 /nfs/dbraw/zinc/03/05/77/825030577.db2.gz LNLVUXUNXRLLJE-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1nccnc1N ZINC001085523950 825034418 /nfs/dbraw/zinc/03/44/18/825034418.db2.gz YXYWKYOPHBVURX-MRVPVSSYSA-N -1 0 318.341 -0.771 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2Cc2cnnn2C)c1[O-] ZINC001085550508 825042526 /nfs/dbraw/zinc/04/25/26/825042526.db2.gz WLKROUPUMHBBLU-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CC(=O)N1CC(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001085567264 825045722 /nfs/dbraw/zinc/04/57/22/825045722.db2.gz DINWREOQMRVUDY-LLVKDONJSA-N -1 0 322.369 -0.979 20 0 DBADRM Cc1ccnc(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001085574450 825050167 /nfs/dbraw/zinc/05/01/67/825050167.db2.gz XTTWOKAYNNQFIA-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM Cc1c[nH]nc1C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085590374 825058576 /nfs/dbraw/zinc/05/85/76/825058576.db2.gz KLFBGUWQJCXHLK-SECBINFHSA-N -1 0 305.342 -0.112 20 0 DBADRM Cc1ccc(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001085589375 825059201 /nfs/dbraw/zinc/05/92/01/825059201.db2.gz KJSDOBAIYUNBCG-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCCC(=O)N1 ZINC001085660129 825076455 /nfs/dbraw/zinc/07/64/55/825076455.db2.gz NXFCDGMMYMQCSV-VHSXEESVSA-N -1 0 322.369 -0.788 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cnc[nH]c1=O ZINC001085662647 825077686 /nfs/dbraw/zinc/07/76/86/825077686.db2.gz IOQMMLIEKZNYJB-QMMMGPOBSA-N -1 0 319.325 -0.648 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1csnn1 ZINC001085746427 825096937 /nfs/dbraw/zinc/09/69/37/825096937.db2.gz HEJNUQWUQFAXDK-ZETCQYMHSA-N -1 0 309.355 -0.292 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1csnn1 ZINC001085746426 825097049 /nfs/dbraw/zinc/09/70/49/825097049.db2.gz HEJNUQWUQFAXDK-SSDOTTSWSA-N -1 0 309.355 -0.292 20 0 DBADRM Cc1n[nH]nc1C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085757950 825098994 /nfs/dbraw/zinc/09/89/94/825098994.db2.gz VGHMACUFEASJHT-MRVPVSSYSA-N -1 0 306.330 -0.717 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCN(C)C1=O ZINC001085771122 825107148 /nfs/dbraw/zinc/10/71/48/825107148.db2.gz VCPXMFMXMJTMCG-NXEZZACHSA-N -1 0 322.369 -0.979 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ccnnc1 ZINC001085839831 825122017 /nfs/dbraw/zinc/12/20/17/825122017.db2.gz SQHSBKVDGLDHDJ-SNVBAGLBSA-N -1 0 303.326 -0.353 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ccn(C)n1 ZINC001085972378 825149409 /nfs/dbraw/zinc/14/94/09/825149409.db2.gz YGUXOXMGQGVSFW-SECBINFHSA-N -1 0 305.342 -0.410 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](NCc3nnn(C)n3)C2)c1[O-] ZINC001086342428 825234860 /nfs/dbraw/zinc/23/48/60/825234860.db2.gz NPPLJHUGVUHNGV-KYZUINATSA-N -1 0 320.357 -0.755 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087527923 825339769 /nfs/dbraw/zinc/33/97/69/825339769.db2.gz JALARZBCBBOYBO-WDEREUQCSA-N -1 0 319.369 -0.055 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1CC(=O)NC ZINC001087543989 825340152 /nfs/dbraw/zinc/34/01/52/825340152.db2.gz OVLSGENMXGCJOO-VHSXEESVSA-N -1 0 309.370 -0.248 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087560751 825342561 /nfs/dbraw/zinc/34/25/61/825342561.db2.gz MTSPJCBOFJWOEY-DJLDLDEBSA-N -1 0 324.341 -0.912 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087741706 825357358 /nfs/dbraw/zinc/35/73/58/825357358.db2.gz WOBWWYVQFAMGEY-WDEREUQCSA-N -1 0 319.369 -0.055 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)c2nonc2C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087848860 825368289 /nfs/dbraw/zinc/36/82/89/825368289.db2.gz SCAFEJOTZRNNCS-DTWKUNHWSA-N -1 0 321.341 -0.015 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)NC3CC3)[C@@H]2C)c1[O-] ZINC001088525552 825433572 /nfs/dbraw/zinc/43/35/72/825433572.db2.gz CEISIGACVSBVMA-KOLCDFICSA-N -1 0 321.381 -0.105 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088642102 825449326 /nfs/dbraw/zinc/44/93/26/825449326.db2.gz NDANSLNQXPXIMD-APPZFPTMSA-N -1 0 319.325 -0.601 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)NC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088691127 825451790 /nfs/dbraw/zinc/45/17/90/825451790.db2.gz CEQITCOJGMJBGZ-UTLUCORTSA-N -1 0 322.369 -0.885 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2csnn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088777426 825457386 /nfs/dbraw/zinc/45/73/86/825457386.db2.gz XUSGNICPGLMRCD-RQJHMYQMSA-N -1 0 309.355 -0.245 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088837940 825467501 /nfs/dbraw/zinc/46/75/01/825467501.db2.gz IYWRMHCCZZMSEQ-SFYZADRCSA-N -1 0 321.341 -0.658 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC2=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088853997 825468476 /nfs/dbraw/zinc/46/84/76/825468476.db2.gz AHYHHSVJKZBNKX-TVLCNXBWSA-N -1 0 322.369 -0.885 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088885161 825471630 /nfs/dbraw/zinc/47/16/30/825471630.db2.gz GYKGSNPIBHIYED-SCZZXKLOSA-N -1 0 305.342 -0.445 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)n1 ZINC001088910218 825473613 /nfs/dbraw/zinc/47/36/13/825473613.db2.gz ZDRNGLPLJDFIMK-BDAKNGLRSA-N -1 0 305.342 -0.065 20 0 DBADRM Cc1nonc1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001088951041 825479377 /nfs/dbraw/zinc/47/93/77/825479377.db2.gz WCJOMQFNPNQWRO-BDAKNGLRSA-N -1 0 321.341 -0.477 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCCN1C(=O)CC(N)=O ZINC001089141143 825495223 /nfs/dbraw/zinc/49/52/23/825495223.db2.gz MULHSKCYYJPFGI-VIFPVBQESA-N -1 0 310.358 -0.801 20 0 DBADRM Cc1occc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090055850 825554195 /nfs/dbraw/zinc/55/41/95/825554195.db2.gz ZNCSXWKTHYQAAE-WDEREUQCSA-N -1 0 321.337 -0.223 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)on1 ZINC001090067777 825556709 /nfs/dbraw/zinc/55/67/09/825556709.db2.gz GXSXPUICCDZNRR-BDAKNGLRSA-N -1 0 322.325 -0.828 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccc[nH]1 ZINC001090077298 825558905 /nfs/dbraw/zinc/55/89/05/825558905.db2.gz QQAWXSRRDRDSOM-WCBMZHEXSA-N -1 0 306.326 -0.796 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccoc1 ZINC001090074718 825559188 /nfs/dbraw/zinc/55/91/88/825559188.db2.gz VVLXJTURWHZEAD-VHSXEESVSA-N -1 0 307.310 -0.532 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cncs1 ZINC001090111594 825572071 /nfs/dbraw/zinc/57/20/71/825572071.db2.gz COFGIZNAAVOEMK-JGVFFNPUSA-N -1 0 324.366 -0.668 20 0 DBADRM O=C(CC1CCC1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090167673 825587703 /nfs/dbraw/zinc/58/77/03/825587703.db2.gz WXUATJFUJNEHOW-QWRGUYRKSA-N -1 0 309.370 -0.248 20 0 DBADRM Cc1ncoc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090174335 825589040 /nfs/dbraw/zinc/58/90/40/825589040.db2.gz KMQYIGCRMUHLGR-DTWKUNHWSA-N -1 0 322.325 -0.828 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3cnon3)C[C@H]2O)c1[O-] ZINC001090202210 825594651 /nfs/dbraw/zinc/59/46/51/825594651.db2.gz WSMUSHXUVZWSQA-NXEZZACHSA-N -1 0 322.325 -0.828 20 0 DBADRM CC1(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CC=CC1 ZINC001090550177 825745424 /nfs/dbraw/zinc/74/54/24/825745424.db2.gz OGMXAWBYRJAIAQ-QWRGUYRKSA-N -1 0 321.381 -0.082 20 0 DBADRM Cc1conc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090707763 825808854 /nfs/dbraw/zinc/80/88/54/825808854.db2.gz AKVNDOHDVOSOQJ-BDAKNGLRSA-N -1 0 322.325 -0.828 20 0 DBADRM Cc1c[nH]cc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090804224 825849450 /nfs/dbraw/zinc/84/94/50/825849450.db2.gz GQKYLKVLJVVBRA-WDEREUQCSA-N -1 0 320.353 -0.488 20 0 DBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)c1cnon1)C2 ZINC001092115410 825999487 /nfs/dbraw/zinc/99/94/87/825999487.db2.gz GNOMIZNEDDSTPD-OQPBUACISA-N -1 0 319.325 -0.513 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CC(Nc2ncccn2)C1 ZINC001092229805 826018309 /nfs/dbraw/zinc/01/83/09/826018309.db2.gz BQPYRJKYZGAJOS-UHFFFAOYSA-N -1 0 319.325 -0.514 20 0 DBADRM CCn1nccc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001273974048 832995867 /nfs/dbraw/zinc/99/58/67/832995867.db2.gz LRQATWSJYSEBHC-ONEGZZNKSA-N -1 0 305.342 -0.198 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC(OC3CN(CCO)C3)CC2)c1[O-] ZINC001093528064 826135436 /nfs/dbraw/zinc/13/54/36/826135436.db2.gz BSDRTQBZKSFXRG-UHFFFAOYSA-N -1 0 324.381 -0.279 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNc2ccc3nnnn3n2)c1[O-] ZINC001093585656 826146367 /nfs/dbraw/zinc/14/63/67/826146367.db2.gz RGMGYDPYEJZPRS-UHFFFAOYSA-N -1 0 303.286 -0.902 20 0 DBADRM CCc1nc(C)cc(NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001093779724 826168704 /nfs/dbraw/zinc/16/87/04/826168704.db2.gz UQZCDGZUCXOVGA-UHFFFAOYSA-N -1 0 321.341 -0.422 20 0 DBADRM CCc1cc(NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)nc(C)n1 ZINC001093779899 826168775 /nfs/dbraw/zinc/16/87/75/826168775.db2.gz YUOLWQPTZVQMDL-UHFFFAOYSA-N -1 0 321.341 -0.422 20 0 DBADRM Cc1ccnc(NCCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001094032581 826189857 /nfs/dbraw/zinc/18/98/57/826189857.db2.gz NJTKBDAZEQKMIQ-UHFFFAOYSA-N -1 0 304.310 -0.574 20 0 DBADRM COc1ccnc(NCCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001094032656 826189923 /nfs/dbraw/zinc/18/99/23/826189923.db2.gz QCCKBJVVJYSBAZ-UHFFFAOYSA-N -1 0 320.309 -0.874 20 0 DBADRM Cc1ccc(NCCNC(=O)c2c[n-]n3c2nccc3=O)nn1 ZINC001094160275 826200739 /nfs/dbraw/zinc/20/07/39/826200739.db2.gz GMPDFXHZDGYVQT-UHFFFAOYSA-N -1 0 313.321 -0.037 20 0 DBADRM CCc1cc(C)nc(NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001094253713 826211055 /nfs/dbraw/zinc/21/10/55/826211055.db2.gz WAFSESVJSROVCO-UHFFFAOYSA-N -1 0 319.325 -0.214 20 0 DBADRM O=C(NCCNc1ncncc1Cl)c1n[nH]c(=O)[n-]c1=O ZINC001094253653 826211089 /nfs/dbraw/zinc/21/10/89/826211089.db2.gz UESDYSMMSJWCTJ-UHFFFAOYSA-N -1 0 311.689 -0.432 20 0 DBADRM Cc1nc(C)c(C)c(NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001094253065 826211308 /nfs/dbraw/zinc/21/13/08/826211308.db2.gz BFGXFPAICBRJAF-UHFFFAOYSA-N -1 0 319.325 -0.160 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCNc1ncc(F)cn1 ZINC001094256723 826211840 /nfs/dbraw/zinc/21/18/40/826211840.db2.gz GDTFBVNJBZYFOZ-UHFFFAOYSA-N -1 0 323.288 -0.627 20 0 DBADRM Cc1n[nH]c(C(=O)NCc2cn(C3CN(CCF)C3)nn2)c1[O-] ZINC001094283990 826220209 /nfs/dbraw/zinc/22/02/09/826220209.db2.gz RBNUZHHALGJNBL-UHFFFAOYSA-N -1 0 323.332 -0.229 20 0 DBADRM Cc1nccc(NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001094887654 826298189 /nfs/dbraw/zinc/29/81/89/826298189.db2.gz DDXWKAOYCLTGMM-UHFFFAOYSA-N -1 0 305.298 -0.387 20 0 DBADRM O=C(NCCCNc1nccnc1F)c1n[nH]c(=O)[n-]c1=O ZINC001094888706 826298317 /nfs/dbraw/zinc/29/83/17/826298317.db2.gz URLCWLGYBHPLLK-UHFFFAOYSA-N -1 0 309.261 -0.556 20 0 DBADRM COc1ccnc(NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001094888738 826298394 /nfs/dbraw/zinc/29/83/94/826298394.db2.gz VWPQCGLTDKMJKH-UHFFFAOYSA-N -1 0 321.297 -0.687 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cn[nH]c1 ZINC001095204633 826312338 /nfs/dbraw/zinc/31/23/38/826312338.db2.gz XPSBBLKVACOKKK-UTLUCORTSA-N -1 0 303.326 -0.231 20 0 DBADRM CNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C)c1[O-])C2 ZINC001095315992 826316320 /nfs/dbraw/zinc/31/63/20/826316320.db2.gz FGNVAJLZFXVSHI-UTLUCORTSA-N -1 0 307.354 -0.495 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)nn1 ZINC001095380595 826320795 /nfs/dbraw/zinc/32/07/95/826320795.db2.gz OEAXZFREGHBFFA-WEDXCCLWSA-N -1 0 318.341 -0.826 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)n1 ZINC001095386473 826320811 /nfs/dbraw/zinc/32/08/11/826320811.db2.gz GIPJIVVHJCDGCH-VGMNWLOBSA-N -1 0 318.341 -0.826 20 0 DBADRM CN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ncccn1 ZINC001095606441 826334867 /nfs/dbraw/zinc/33/48/67/826334867.db2.gz KOALBCNLCKWZTN-UHFFFAOYSA-N -1 0 307.314 -0.878 20 0 DBADRM Cc1ccnc(N(C)CCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001095781856 826345321 /nfs/dbraw/zinc/34/53/21/826345321.db2.gz ZPJPMBNIRWIDKH-UHFFFAOYSA-N -1 0 319.325 -0.362 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cnon1 ZINC001096208106 826363827 /nfs/dbraw/zinc/36/38/27/826363827.db2.gz JDUGQBGOTWMVEI-FJXKBIBVSA-N -1 0 305.298 -0.571 20 0 DBADRM O=C(Cn1ccnc1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001096654994 826392032 /nfs/dbraw/zinc/39/20/32/826392032.db2.gz FBNMOFOPMYRXEQ-VWYCJHECSA-N -1 0 317.353 -0.372 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cnccn1 ZINC001096749542 826394667 /nfs/dbraw/zinc/39/46/67/826394667.db2.gz XTCIKQAOFVCWSG-KKZNHRDASA-N -1 0 315.337 -0.164 20 0 DBADRM O=C(NC[C@H](Nc1ncccn1)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001096850575 826400120 /nfs/dbraw/zinc/40/01/20/826400120.db2.gz UZGOHLNPDUVODG-QMMMGPOBSA-N -1 0 317.309 -0.307 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N(C)C)c1[O-] ZINC001096960121 826403623 /nfs/dbraw/zinc/40/36/23/826403623.db2.gz BXCRJLVMGVRKDS-MXWKQRLJSA-N -1 0 321.381 -0.153 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H]2CCNC2=O)c1[O-] ZINC001096964091 826403738 /nfs/dbraw/zinc/40/37/38/826403738.db2.gz HGMTVQRAYFGHIR-CHWFTXMASA-N -1 0 319.365 -0.353 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1cnc(F)cn1 ZINC001097976535 826443400 /nfs/dbraw/zinc/44/34/00/826443400.db2.gz KTXCFZQJZWTOFI-ZCFIWIBFSA-N -1 0 311.277 -0.765 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1ncccn1 ZINC001098080685 826448788 /nfs/dbraw/zinc/44/87/88/826448788.db2.gz INSJHAHBTUPDAR-BBBLOLIVSA-N -1 0 315.337 -0.164 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ncc(F)cn1 ZINC001098435128 826482174 /nfs/dbraw/zinc/48/21/74/826482174.db2.gz IAIZDCZUXRKTFM-YFKPBYRVSA-N -1 0 309.261 -0.558 20 0 DBADRM Cc1ccc(N[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001098435076 826482465 /nfs/dbraw/zinc/48/24/65/826482465.db2.gz GSFFKACDOZTEBO-ZETCQYMHSA-N -1 0 305.298 -0.388 20 0 DBADRM Cc1ncc(C)c(N[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001098435423 826482725 /nfs/dbraw/zinc/48/27/25/826482725.db2.gz NCNMGEHKTFHVJS-SSDOTTSWSA-N -1 0 319.325 -0.080 20 0 DBADRM Cc1nc([C@@H](C)NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001161864052 833060940 /nfs/dbraw/zinc/06/09/40/833060940.db2.gz VWTYGISCAJIBIE-ZCFIWIBFSA-N -1 0 323.313 -0.555 20 0 DBADRM CC(C)NC(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)c1cc(=O)[nH][n-]1 ZINC001274428829 833076184 /nfs/dbraw/zinc/07/61/84/833076184.db2.gz QDNHBZHDTSVNCB-AOOOYVTPSA-N -1 0 323.353 -0.242 20 0 DBADRM Cc1ccc(N[C@@H](C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001099362432 826565638 /nfs/dbraw/zinc/56/56/38/826565638.db2.gz WYXKYLSXYSEUET-QMMMGPOBSA-N -1 0 321.341 -0.205 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CC2(CCN2CCn2ccnc2)C1 ZINC001274428273 833075186 /nfs/dbraw/zinc/07/51/86/833075186.db2.gz CXOPQKCUWWTKBR-UHFFFAOYSA-N -1 0 302.338 -0.088 20 0 DBADRM CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099681445 826616759 /nfs/dbraw/zinc/61/67/59/826616759.db2.gz QJUKLPVNLCXOQY-ZJUUUORDSA-N -1 0 311.386 -0.002 20 0 DBADRM CCC(CC)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099695991 826622050 /nfs/dbraw/zinc/62/20/50/826622050.db2.gz RAJVDFRUWAVLAO-QWRGUYRKSA-N -1 0 311.386 -0.002 20 0 DBADRM C/C(=C\C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC1 ZINC001099715193 826632116 /nfs/dbraw/zinc/63/21/16/826632116.db2.gz DSKOUALGJKXLSL-BBBNCSCVSA-N -1 0 321.381 -0.082 20 0 DBADRM O=C(/C=C/C1CC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099768552 826660350 /nfs/dbraw/zinc/66/03/50/826660350.db2.gz FMFLPZXFUYTUHV-YHROSDCASA-N -1 0 307.354 -0.472 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1cc(F)ncn1 ZINC001099787790 826666044 /nfs/dbraw/zinc/66/60/44/826666044.db2.gz ALAKVTAWTCKVQQ-LURJTMIESA-N -1 0 323.288 -0.168 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1cnc(F)cn1 ZINC001099788966 826667435 /nfs/dbraw/zinc/66/74/35/826667435.db2.gz RJSGDSCNHDBRMI-LURJTMIESA-N -1 0 323.288 -0.168 20 0 DBADRM CS(=O)(=O)CCNc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001162324008 833089658 /nfs/dbraw/zinc/08/96/58/833089658.db2.gz KRLIEJQOIJYVAM-UHFFFAOYSA-N -1 0 304.349 -0.425 20 0 DBADRM C[C@@H](C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001274651283 833116202 /nfs/dbraw/zinc/11/62/02/833116202.db2.gz SMLBWOZZNHURCL-UMBAGQNISA-N -1 0 319.369 -0.191 20 0 DBADRM CN(CCNC(=O)CCCn1c(=O)[n-][nH]c1=O)c1ncccn1 ZINC001100208513 826908999 /nfs/dbraw/zinc/90/89/99/826908999.db2.gz PHCLLSUOQXGZPL-UHFFFAOYSA-N -1 0 321.341 -0.488 20 0 DBADRM CN(CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O)c1ncccn1 ZINC001100400990 826958219 /nfs/dbraw/zinc/95/82/19/826958219.db2.gz YJIKOGSAWBCSTF-UHFFFAOYSA-N -1 0 319.325 -0.742 20 0 DBADRM Cc1ccc(N(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001100416267 826961384 /nfs/dbraw/zinc/96/13/84/826961384.db2.gz WEAKTMQVPLEHCQ-UHFFFAOYSA-N -1 0 305.298 -0.753 20 0 DBADRM Nc1nc(=O)c2sc(=O)[nH]c2n1-c1cncc(C(=O)[O-])n1 ZINC001163039442 833128827 /nfs/dbraw/zinc/12/88/27/833128827.db2.gz GBNZKTBGCXLINF-UHFFFAOYSA-N -1 0 306.263 -0.139 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1cc(F)ncn1 ZINC001100765681 827017255 /nfs/dbraw/zinc/01/72/55/827017255.db2.gz UPAUMGGNHWSZKO-UHFFFAOYSA-N -1 0 323.288 -0.532 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCN(c1ncccn1)C1CC1 ZINC001101373670 827102203 /nfs/dbraw/zinc/10/22/03/827102203.db2.gz YFMYAVUBSWXSAA-UHFFFAOYSA-N -1 0 319.325 -0.736 20 0 DBADRM CN(CCNc1cnc(F)cn1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001101719470 827140322 /nfs/dbraw/zinc/14/03/22/827140322.db2.gz ZKYYTDBXAWPOGL-UHFFFAOYSA-N -1 0 311.277 -0.811 20 0 DBADRM CN(CCNc1cc(F)ncn1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001101719424 827140836 /nfs/dbraw/zinc/14/08/36/827140836.db2.gz XKJLTEYXCNNCPV-UHFFFAOYSA-N -1 0 311.277 -0.811 20 0 DBADRM CN(CCNc1ncccn1)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001101833765 827153093 /nfs/dbraw/zinc/15/30/93/827153093.db2.gz RNSWQGYDHVUZNQ-UHFFFAOYSA-N -1 0 321.341 -0.170 20 0 DBADRM CN(CCNc1ncc(F)cn1)C(=O)c1cnc([O-])n(C)c1=O ZINC001101887195 827159263 /nfs/dbraw/zinc/15/92/63/827159263.db2.gz ZWRVSOMINKSUCZ-UHFFFAOYSA-N -1 0 322.300 -0.401 20 0 DBADRM CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)c3ccncc3[O-])C[C@H]12 ZINC001275218332 833160269 /nfs/dbraw/zinc/16/02/69/833160269.db2.gz YCNCAGGTMDYBMK-GXSJLCMTSA-N -1 0 304.306 -0.298 20 0 DBADRM CN1CCN(c2cc(N[C@H]3SC(=O)[N-]C3=O)ncn2)CC1 ZINC001163661772 833161839 /nfs/dbraw/zinc/16/18/39/833161839.db2.gz DSVCBZLWUPRLJK-NSHDSACASA-N -1 0 308.367 -0.051 20 0 DBADRM NS(=O)(=O)Cc1ccc(N[C@H]2SC(=O)[N-]C2=O)nc1 ZINC001163665765 833162359 /nfs/dbraw/zinc/16/23/59/833162359.db2.gz OOTKOMXTFOCRMO-QMMMGPOBSA-N -1 0 302.337 -0.409 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1ccnc(C)n1 ZINC001103158944 827268807 /nfs/dbraw/zinc/26/88/07/827268807.db2.gz UIRWTTMGXUMHJU-VIFPVBQESA-N -1 0 321.341 -0.205 20 0 DBADRM C[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)C1N=NC(=O)N1C ZINC001163837040 833172567 /nfs/dbraw/zinc/17/25/67/833172567.db2.gz XXPHGIKVPCHOLS-ZCFIWIBFSA-N -1 0 303.282 -0.652 20 0 DBADRM CC[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)Nc1ncccn1 ZINC001103257512 827274682 /nfs/dbraw/zinc/27/46/82/827274682.db2.gz ARHHUSNDAFQZPT-VIFPVBQESA-N -1 0 318.337 -0.104 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1cnc(F)cn1 ZINC001103374640 827282077 /nfs/dbraw/zinc/28/20/77/827282077.db2.gz WNRTVYFSVLDZPB-LURJTMIESA-N -1 0 323.288 -0.168 20 0 DBADRM Cc1ccnc(NC[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001104038897 827318682 /nfs/dbraw/zinc/31/86/82/827318682.db2.gz DIVMZIWKLNHVIN-QMMMGPOBSA-N -1 0 321.341 -0.348 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNc1ncccn1 ZINC001104038775 827318874 /nfs/dbraw/zinc/31/88/74/827318874.db2.gz AROQFOLOUAYSNH-QMMMGPOBSA-N -1 0 307.314 -0.656 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)CNc1ncccn1 ZINC001104150294 827325407 /nfs/dbraw/zinc/32/54/07/827325407.db2.gz WSXNBBHQPKECEI-VIFPVBQESA-N -1 0 318.337 -0.246 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNc1ncccn1 ZINC001104273593 827334774 /nfs/dbraw/zinc/33/47/74/827334774.db2.gz VLOZXFDPAOOBBW-SSDOTTSWSA-N -1 0 305.298 -0.449 20 0 DBADRM CN1C[C@@]2(CC1=O)COCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001275465239 833182079 /nfs/dbraw/zinc/18/20/79/833182079.db2.gz OBUAOSDNSHFFFQ-GFCCVEGCSA-N -1 0 314.367 -0.721 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNc1cc(F)ncn1 ZINC001104272819 827335146 /nfs/dbraw/zinc/33/51/46/827335146.db2.gz JUEZMNSGRCGTGD-LURJTMIESA-N -1 0 323.288 -0.310 20 0 DBADRM Cn1cnc([C@@H]2CN(C(=O)c3cc(=O)n(C)[n-]3)C[C@H]2C(N)=O)c1 ZINC001275610146 833193640 /nfs/dbraw/zinc/19/36/40/833193640.db2.gz PCSISEKEVILGEK-RKDXNWHRSA-N -1 0 318.337 -0.800 20 0 DBADRM Cn1[n-]c(C(=O)N2C[C@H]3C[C@@]3(C(=O)NCC3COC3)C2)cc1=O ZINC001275609989 833193866 /nfs/dbraw/zinc/19/38/66/833193866.db2.gz KKFHRVZPYPAWJE-MEBBXXQBSA-N -1 0 320.349 -0.650 20 0 DBADRM C[C@H](CNc1ncccn1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001104881129 827377053 /nfs/dbraw/zinc/37/70/53/827377053.db2.gz HPQBHMWMDOSBEX-SSDOTTSWSA-N -1 0 305.298 -0.355 20 0 DBADRM Cn1[n-]c(C(=O)N2CC3(C[C@@H]3C(=O)NCC3COC3)C2)cc1=O ZINC001275610056 833193886 /nfs/dbraw/zinc/19/38/86/833193886.db2.gz MBYHNBXQBAELDL-SNVBAGLBSA-N -1 0 320.349 -0.650 20 0 DBADRM C[C@@H](CNc1nccnc1F)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001104881101 827377223 /nfs/dbraw/zinc/37/72/23/827377223.db2.gz HAAVFNBWFFTMRH-LURJTMIESA-N -1 0 323.288 -0.216 20 0 DBADRM CN(C)C(=O)[C@H]1CC12CCN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)CC2 ZINC001275820711 833211876 /nfs/dbraw/zinc/21/18/76/833211876.db2.gz SDNACMICSAWVIQ-SECBINFHSA-N -1 0 320.349 -0.606 20 0 DBADRM Cc1ccc(NCC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001106395990 827654459 /nfs/dbraw/zinc/65/44/59/827654459.db2.gz XJLMJARJFBEBJE-MRVPVSSYSA-N -1 0 321.341 -0.205 20 0 DBADRM CCN(CCNc1nccc(C)n1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001106813681 827679575 /nfs/dbraw/zinc/67/95/75/827679575.db2.gz NONMEUQTVBWHLG-UHFFFAOYSA-N -1 0 321.341 -0.252 20 0 DBADRM O=C(NCC1COC1)[C@@]12C[C@@H]1CCN2C(=O)c1cc(=O)[nH][n-]1 ZINC001276023854 833235690 /nfs/dbraw/zinc/23/56/90/833235690.db2.gz YVNWSRVHDWZLHW-LKFCYVNXSA-N -1 0 306.322 -0.518 20 0 DBADRM CN(C)C(=O)[C@@H]1COCCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276022871 833235793 /nfs/dbraw/zinc/23/57/93/833235793.db2.gz MFZVGKOPPXNELE-VIFPVBQESA-N -1 0 308.338 -0.318 20 0 DBADRM O=C(Nc1nnco1)[C@]12C[C@H]1CCN2C(=O)c1cc(=O)[nH][n-]1 ZINC001276019093 833236017 /nfs/dbraw/zinc/23/60/17/833236017.db2.gz KJVRYYXLWUFALE-INWYIAFRSA-N -1 0 304.266 -0.258 20 0 DBADRM O=C(NCC1COC1)[C@@]12C[C@@H]1CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276022110 833236214 /nfs/dbraw/zinc/23/62/14/833236214.db2.gz CEJKJJCIGJKOQX-YMTOWFKASA-N -1 0 306.322 -0.660 20 0 DBADRM Cc1cc(NCC=CCNC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001107605000 827756156 /nfs/dbraw/zinc/75/61/56/827756156.db2.gz QZYXEFOMKHHFTL-NSCUHMNNSA-N -1 0 317.309 -0.221 20 0 DBADRM Cc1ccc(NCC=CCNC(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001107604691 827756298 /nfs/dbraw/zinc/75/62/98/827756298.db2.gz GTHHTVJHWZWAIA-IHWYPQMZSA-N -1 0 317.309 -0.221 20 0 DBADRM C[C@]1(CNC(=O)c2ccc[nH]2)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107735315 827782639 /nfs/dbraw/zinc/78/26/39/827782639.db2.gz WJIBMPUDGJIRLZ-AWEZNQCLSA-N -1 0 320.353 -0.141 20 0 DBADRM C[C@@]1(CNC(=O)c2cocn2)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107813589 827802109 /nfs/dbraw/zinc/80/21/09/827802109.db2.gz UMDOIIYJPCRLSE-CYBMUJFWSA-N -1 0 322.325 -0.481 20 0 DBADRM Cc1cc(NC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001107868937 827817886 /nfs/dbraw/zinc/81/78/86/827817886.db2.gz DNWDSZJEWHFJEG-MRVPVSSYSA-N -1 0 307.314 -0.595 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@]2(C)CN(C[C@H](C)O)CCO2)c1[O-] ZINC001107872007 827819658 /nfs/dbraw/zinc/81/96/58/827819658.db2.gz MKVVMFIDXWLAHR-XPTSAGLGSA-N -1 0 312.370 -0.375 20 0 DBADRM CCN1CCO[C@](C)(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001108113118 827898225 /nfs/dbraw/zinc/89/82/25/827898225.db2.gz FUEYMWJHSKPUES-CQSZACIVSA-N -1 0 310.354 -0.674 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001108123815 827901350 /nfs/dbraw/zinc/90/13/50/827901350.db2.gz AZTZCHUIDDMKSL-NOZJJQNGSA-N -1 0 315.349 -0.035 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001108125841 827902726 /nfs/dbraw/zinc/90/27/26/827902726.db2.gz NKINCPGBNRDBLM-GPCCPHFNSA-N -1 0 309.370 -0.127 20 0 DBADRM Cc1ccc(NC[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001108208260 827920465 /nfs/dbraw/zinc/92/04/65/827920465.db2.gz ABQVJPGNXKVNLK-SSDOTTSWSA-N -1 0 305.298 -0.388 20 0 DBADRM Cc1ccnc(N(C)C[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001109043731 828081124 /nfs/dbraw/zinc/08/11/24/828081124.db2.gz FKZWONJAUKDTFX-VIFPVBQESA-N -1 0 321.341 -0.571 20 0 DBADRM COC(CN(C)c1ccc(S(=O)(=O)[N-]C(C)=O)cn1)OC ZINC001167030009 833289398 /nfs/dbraw/zinc/28/93/98/833289398.db2.gz YVSPHUFGITWAJO-UHFFFAOYSA-N -1 0 317.367 -0.039 20 0 DBADRM CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109429373 828116769 /nfs/dbraw/zinc/11/67/69/828116769.db2.gz WIOKDZYIKSFZMU-VGMNWLOBSA-N -1 0 322.369 -0.757 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109599356 828125030 /nfs/dbraw/zinc/12/50/30/828125030.db2.gz GWUHGONCNWKCOI-IMSYWVGJSA-N -1 0 322.369 -0.757 20 0 DBADRM Cc1ccc(NCCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001109665588 828129018 /nfs/dbraw/zinc/12/90/18/828129018.db2.gz HCZDSKQGQIVLHI-UHFFFAOYSA-N -1 0 319.325 -0.045 20 0 DBADRM CN(CCCNc1nccnc1F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001109665782 828129087 /nfs/dbraw/zinc/12/90/87/828129087.db2.gz MNGJQXTWARNAOG-UHFFFAOYSA-N -1 0 323.288 -0.214 20 0 DBADRM CN(C)C(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109812622 828137332 /nfs/dbraw/zinc/13/73/32/828137332.db2.gz HKCZFUHENZHIEH-UTLUCORTSA-N -1 0 322.369 -0.790 20 0 DBADRM CC(=O)Nc1cccnc1C(=O)[N-]N1C(=O)[C@H](C)N(C)C1=O ZINC001167404757 833297565 /nfs/dbraw/zinc/29/75/65/833297565.db2.gz GBECYEVWLMSCSK-ZETCQYMHSA-N -1 0 305.294 -0.033 20 0 DBADRM CSCC[C@H](NC(=O)c1cc(C=O)n(C)n1)c1nnn[n-]1 ZINC001167449049 833299111 /nfs/dbraw/zinc/29/91/11/833299111.db2.gz RUFJBNHDCQVGQT-QMMMGPOBSA-N -1 0 309.355 -0.030 20 0 DBADRM CSCC[C@H](NC(=O)[C@H]1CCCN(C)C1=O)c1nnn[n-]1 ZINC001167448394 833299133 /nfs/dbraw/zinc/29/91/33/833299133.db2.gz HIIYJDOIZTZJLV-BDAKNGLRSA-N -1 0 312.399 -0.022 20 0 DBADRM Cc1ccnc(NC2(CNC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)n1 ZINC001110406582 828176968 /nfs/dbraw/zinc/17/69/68/828176968.db2.gz UZDZISSVVGDSDN-UHFFFAOYSA-N -1 0 317.309 -0.244 20 0 DBADRM COC(=O)C1CCN(c2cc(N[C@@H]3CO[N-]C3=O)ncn2)CC1 ZINC001167511161 833302163 /nfs/dbraw/zinc/30/21/63/833302163.db2.gz UGFPXDOBHUZKKP-SNVBAGLBSA-N -1 0 321.337 -0.292 20 0 DBADRM COC(=O)c1cncc(Br)c1N[C@@H]1CO[N-]C1=O ZINC001167519513 833302456 /nfs/dbraw/zinc/30/24/56/833302456.db2.gz ZJCUMHCJTMFXSH-SSDOTTSWSA-N -1 0 316.111 -0.106 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@]2(O)CCN(c3ncccn3)C2)c1[O-] ZINC001111072714 828227448 /nfs/dbraw/zinc/22/74/48/828227448.db2.gz RGDORBYVNMCGII-CQSZACIVSA-N -1 0 318.337 -0.415 20 0 DBADRM C[C@H]1[C@H](Nc2cc3c(cn2)CC(=O)N3)C(=O)N1S(=O)(=O)[O-] ZINC001167858100 833311551 /nfs/dbraw/zinc/31/15/51/833311551.db2.gz JZDCPTQNBASCEA-RRAGMBSWSA-N -1 0 312.307 -0.610 20 0 DBADRM C[C@H]1[C@H](Nc2cc(Cl)cc[n+]2[O-])C(=O)N1S(=O)(=O)[O-] ZINC001167857975 833311616 /nfs/dbraw/zinc/31/16/16/833311616.db2.gz KTZIJWFWCAMEOK-XNCJUZBTSA-N -1 0 307.715 -0.213 20 0 DBADRM C[C@H]1[C@H](Nc2ccnc3ccncc32)C(=O)N1S(=O)(=O)[O-] ZINC001167855317 833311652 /nfs/dbraw/zinc/31/16/52/833311652.db2.gz HCHVYDKOIFGNDA-CPCISQLKSA-N -1 0 308.319 -0.134 20 0 DBADRM COc1cnc(C)nc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167857449 833311712 /nfs/dbraw/zinc/31/17/12/833311712.db2.gz CTCWXSLMWQHHMQ-XNCJUZBTSA-N -1 0 302.312 -0.392 20 0 DBADRM C[C@H]1[C@H](Nc2ncc3ccn(C)c3n2)C(=O)N1S(=O)(=O)[O-] ZINC001167857960 833311723 /nfs/dbraw/zinc/31/17/23/833311723.db2.gz KRHHGOJWDRDDJJ-XPUUQOCRSA-N -1 0 311.323 -0.218 20 0 DBADRM C[C@H]1[C@H](Nc2cnc3c(c2)CCCN3)C(=O)N1S(=O)(=O)[O-] ZINC001167861063 833311923 /nfs/dbraw/zinc/31/19/23/833311923.db2.gz BMVOKQVAHAWXAX-XVKPBYJWSA-N -1 0 312.351 -0.459 20 0 DBADRM CC(=O)Nc1ccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nn1 ZINC001167858773 833311999 /nfs/dbraw/zinc/31/19/99/833311999.db2.gz RXDSJHXTDSTIBI-CDUCUWFYSA-N -1 0 315.311 -0.751 20 0 DBADRM C[C@H]1[C@H](Nc2ccc([S@](C)=O)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001167861281 833312045 /nfs/dbraw/zinc/31/20/45/833312045.db2.gz IWRCTDMRKLLYPS-QLKWYILISA-N -1 0 319.364 -0.367 20 0 DBADRM CCn1ncc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1=O ZINC001167862455 833312461 /nfs/dbraw/zinc/31/24/61/833312461.db2.gz UZXZKDRDWYVFMZ-RCOVLWMOSA-N -1 0 302.312 -0.923 20 0 DBADRM CCS(=O)(=O)c1ccc(C(=O)N(C)c2nnn[n-]2)c(N)c1 ZINC001168358602 833323317 /nfs/dbraw/zinc/32/33/17/833323317.db2.gz KAAVEKSMFUCDDF-UHFFFAOYSA-N -1 0 310.339 -0.148 20 0 DBADRM O=P([O-])([O-])OCCNc1nccc(N2CC[NH2+]CC2)n1 ZINC001168586822 833325635 /nfs/dbraw/zinc/32/56/35/833325635.db2.gz LRERROGGUJVBFW-UHFFFAOYSA-N -1 0 303.259 -0.593 20 0 DBADRM CCC[C@@H](NC(=O)Cc1nc2ncccn2n1)c1nnn[n-]1 ZINC001116255788 828885088 /nfs/dbraw/zinc/88/50/88/828885088.db2.gz LEZZJJPDVDPCCE-MRVPVSSYSA-N -1 0 301.314 -0.163 20 0 DBADRM C[C@H](O)[C@H](O)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001168763111 833328522 /nfs/dbraw/zinc/32/85/22/833328522.db2.gz AYCGQYWGJSBZNA-GZMMTYOYSA-N -1 0 323.374 -0.457 20 0 DBADRM COc1cc(C=O)ccc1OCC(=O)NCc1nc(=O)o[n-]1 ZINC001116448249 828895460 /nfs/dbraw/zinc/89/54/60/828895460.db2.gz OVECZKRFTPNRTJ-UHFFFAOYSA-N -1 0 307.262 -0.121 20 0 DBADRM CCn1nc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cc1C1CC1 ZINC001116512961 828900178 /nfs/dbraw/zinc/90/01/78/828900178.db2.gz AANFLNYEVBIUKQ-UHFFFAOYSA-N -1 0 319.325 -0.141 20 0 DBADRM O=C(COCCNC(=O)c1ccccc1)NCc1nc(=O)o[n-]1 ZINC001116547393 828901555 /nfs/dbraw/zinc/90/15/55/828901555.db2.gz QVTUCTLXCVFJTH-UHFFFAOYSA-N -1 0 320.305 -0.574 20 0 DBADRM Cc1cnn(-c2ccccc2)c1NC(=O)C(=O)[N-]OCC(N)=O ZINC001116716836 828908687 /nfs/dbraw/zinc/90/86/87/828908687.db2.gz AONICHSZUCSJCJ-UHFFFAOYSA-N -1 0 317.305 -0.348 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001116716866 828909266 /nfs/dbraw/zinc/90/92/66/828909266.db2.gz BNCJAHMKIDJPTJ-UHFFFAOYSA-N -1 0 311.342 -0.779 20 0 DBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)[N-]OC)c1 ZINC001116717079 828909448 /nfs/dbraw/zinc/90/94/48/828909448.db2.gz LIVMGMARMODDQT-UHFFFAOYSA-N -1 0 301.324 -0.481 20 0 DBADRM COCCCn1ccc(NC(=O)C(=O)[N-]OCCOC)n1 ZINC001116845472 828915544 /nfs/dbraw/zinc/91/55/44/828915544.db2.gz QFHCPKOJOVICFT-UHFFFAOYSA-N -1 0 300.315 -0.448 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccn(Cc2ccccn2)n1 ZINC001116857413 828916272 /nfs/dbraw/zinc/91/62/72/828916272.db2.gz OZIYMXFCWYSCIL-UHFFFAOYSA-N -1 0 319.321 -0.041 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)cn1 ZINC001116937804 828920964 /nfs/dbraw/zinc/92/09/64/828920964.db2.gz BHHMEQHYABSKEO-UHFFFAOYSA-N -1 0 323.334 -0.355 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H](C)c1nnc2ccccn21 ZINC001117036717 828933590 /nfs/dbraw/zinc/93/35/90/828933590.db2.gz XJCYIULWRHQFRJ-VIFPVBQESA-N -1 0 307.310 -0.399 20 0 DBADRM C[C@@H](CN1CCCC1=O)NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001117145122 828946769 /nfs/dbraw/zinc/94/67/69/828946769.db2.gz RXWVAYBDCPDLSF-WDEREUQCSA-N -1 0 313.354 -0.802 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1n[nH]cc1Br ZINC001117312483 828959613 /nfs/dbraw/zinc/95/96/13/828959613.db2.gz SPZYBQOGTUANLP-UHFFFAOYSA-N -1 0 321.131 -0.517 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC1CCN(C(=O)OC)CC1 ZINC001117429799 828977908 /nfs/dbraw/zinc/97/79/08/828977908.db2.gz GSIMXVQFFZWTQV-UHFFFAOYSA-N -1 0 317.342 -0.582 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 ZINC001117451138 828980314 /nfs/dbraw/zinc/98/03/14/828980314.db2.gz UUAKHJNRFFFHNR-NSHDSACASA-N -1 0 309.370 -0.181 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)[N-]OCCOC)[C@@]12CCCO2 ZINC001117596790 828996325 /nfs/dbraw/zinc/99/63/25/828996325.db2.gz WCHOWHXVLKAUJN-GYSYKLTISA-N -1 0 316.354 -0.477 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCc1n[nH]c(=O)[n-]1 ZINC001117749310 829013291 /nfs/dbraw/zinc/01/32/91/829013291.db2.gz DQQKTLZDGKCQKO-OCAPTIKFSA-N -1 0 305.294 -0.922 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](O)(C3CC3)C2)C[C@H]1C(=O)[O-] ZINC001118178681 829045111 /nfs/dbraw/zinc/04/51/11/829045111.db2.gz FDGHEYOSSHLWMA-NSODJVPESA-N -1 0 324.377 -0.071 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[C@@H]1CCCCO1 ZINC001118291681 829064098 /nfs/dbraw/zinc/06/40/98/829064098.db2.gz ZIUZSZBCIIVQPS-JTQLQIEISA-N -1 0 301.343 -0.754 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@@H](COC)C1 ZINC001118366549 829076371 /nfs/dbraw/zinc/07/63/71/829076371.db2.gz WHNWHDBZGKHDFV-LLVKDONJSA-N -1 0 315.370 -0.555 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1nccs1 ZINC001118365760 829076991 /nfs/dbraw/zinc/07/69/91/829076991.db2.gz MFMDDAYSAPOFSS-UHFFFAOYSA-N -1 0 300.340 -0.715 20 0 DBADRM COC(=O)N1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC001118389066 829078205 /nfs/dbraw/zinc/07/82/05/829078205.db2.gz IXWDIGYISRPYAP-SECBINFHSA-N -1 0 315.326 -0.876 20 0 DBADRM COCCCn1nc(C(=O)N[C@@H](C(=O)[O-])C2CC2)ccc1=O ZINC001118482666 829090091 /nfs/dbraw/zinc/09/00/91/829090091.db2.gz IBWIVWLLRPJSLV-GFCCVEGCSA-N -1 0 309.322 -0.127 20 0 DBADRM COCc1nccc(NC(=O)C(=O)[N-]OCCSC)n1 ZINC001118487931 829091956 /nfs/dbraw/zinc/09/19/56/829091956.db2.gz WJSDJBKOADGIJK-UHFFFAOYSA-N -1 0 300.340 -0.028 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001118514263 829097072 /nfs/dbraw/zinc/09/70/72/829097072.db2.gz XZAKAPWIDIKLGP-JOYOIKCWSA-N -1 0 322.383 -0.736 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])ccc1=O ZINC001118543061 829102264 /nfs/dbraw/zinc/10/22/64/829102264.db2.gz URTXAOGRRJKETF-MRVPVSSYSA-N -1 0 311.294 -0.978 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCC2(CO)CC2)n1 ZINC001118543075 829102342 /nfs/dbraw/zinc/10/23/42/829102342.db2.gz VHAGXEQGMPUDAJ-UHFFFAOYSA-N -1 0 324.337 -0.470 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CC[C@H](O)C2)n1 ZINC001118543143 829102379 /nfs/dbraw/zinc/10/23/79/829102379.db2.gz YDMUKRIWGNZWLU-QMMMGPOBSA-N -1 0 310.310 -0.766 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001118541710 829102402 /nfs/dbraw/zinc/10/24/02/829102402.db2.gz JQCIWCKPIABHPO-XLKFXECMSA-N -1 0 323.305 -0.626 20 0 DBADRM COCCCn1nc(C(=O)N2CCC[C@@H]2C(=O)[O-])ccc1=O ZINC001118544304 829102534 /nfs/dbraw/zinc/10/25/34/829102534.db2.gz FVOLUPFNWKSRKG-LLVKDONJSA-N -1 0 309.322 -0.031 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC001118574552 829106792 /nfs/dbraw/zinc/10/67/92/829106792.db2.gz IYMSYCLJLNUSLH-RISCZKNCSA-N -1 0 302.371 -0.051 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC001118575162 829107554 /nfs/dbraw/zinc/10/75/54/829107554.db2.gz SXTKUECFQAHTIQ-LLVKDONJSA-N -1 0 319.339 -0.644 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NOC2CCOCC2)c1 ZINC001118692798 829121440 /nfs/dbraw/zinc/12/14/40/829121440.db2.gz AQYFNDJZHVUMBB-UHFFFAOYSA-N -1 0 316.335 -0.120 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)CC[C@@H]1C(=O)[O-] ZINC001118899867 829150246 /nfs/dbraw/zinc/15/02/46/829150246.db2.gz DZRTVRBRTPQROP-XAGWURHQSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2nccn2C)CC[C@@H]1C(=O)[O-] ZINC001118921119 829153397 /nfs/dbraw/zinc/15/33/97/829153397.db2.gz KLAHDIPVUNFHSY-UWVGGRQHSA-N -1 0 308.338 -0.395 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001118921319 829153909 /nfs/dbraw/zinc/15/39/09/829153909.db2.gz PUAMZNFYSBVNII-MWLCHTKSSA-N -1 0 323.353 -0.517 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2cccnn2)CC[C@H]1C(=O)[O-] ZINC001118921128 829153942 /nfs/dbraw/zinc/15/39/42/829153942.db2.gz KVEPQSUATYUZRI-GXSJLCMTSA-N -1 0 306.322 -0.338 20 0 DBADRM Cn1ncc2c1nc(SCCCS(N)(=O)=O)[nH]c2=O ZINC001118951526 829197698 /nfs/dbraw/zinc/19/76/98/829197698.db2.gz FFJKWSFWWYUMAF-UHFFFAOYSA-N -1 0 303.369 -0.160 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2[C@@H]3CC[C@H]2CNC(=O)C3)CC1 ZINC001118960064 829198176 /nfs/dbraw/zinc/19/81/76/829198176.db2.gz PHXZNXGHWFHORM-MNOVXSKESA-N -1 0 323.349 -0.811 20 0 DBADRM O=C([N-]OC1CCOCC1)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001119102744 829218944 /nfs/dbraw/zinc/21/89/44/829218944.db2.gz NOYOEIHQDXCXRG-PWSUYJOCSA-N -1 0 308.338 -0.357 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCN(C2CCC2)CC1 ZINC001119336885 829249198 /nfs/dbraw/zinc/24/91/98/829249198.db2.gz GFSMGSDLNQAPBQ-PHIMTYICSA-N -1 0 309.366 -0.338 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CC(C2CCOCC2)C1 ZINC001119397892 829257757 /nfs/dbraw/zinc/25/77/57/829257757.db2.gz LSTUAOHPGKVCFW-KLPPZKSPSA-N -1 0 310.350 -0.149 20 0 DBADRM CO[C@@]1(C(=O)[N-]OCc2ccccn2)CCS(=O)(=O)C1 ZINC001119579967 829277442 /nfs/dbraw/zinc/27/74/42/829277442.db2.gz GTWHTBKZQFXPRK-LBPRGKRZSA-N -1 0 300.336 -0.167 20 0 DBADRM COCCOCCN1CCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC001119574863 829277825 /nfs/dbraw/zinc/27/78/25/829277825.db2.gz PHUHKEQZAWCVES-UHFFFAOYSA-N -1 0 300.355 -0.342 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C3CCC2(CO)CC3)C1 ZINC001119700023 829293904 /nfs/dbraw/zinc/29/39/04/829293904.db2.gz AWPQYHJNYYTVGC-CIQACWJJSA-N -1 0 310.350 -0.175 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CCc2ccccc2C1 ZINC001119810351 829307287 /nfs/dbraw/zinc/30/72/87/829307287.db2.gz OUGVPPPSYXGDPG-NSHDSACASA-N -1 0 319.361 -0.299 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCCN(CC)C1=O ZINC001119838003 829310593 /nfs/dbraw/zinc/31/05/93/829310593.db2.gz RYUZIIDAUKOGRO-SNVBAGLBSA-N -1 0 301.343 -0.802 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)NCC(=O)[N-]OC)C[C@@H](CC)O1 ZINC001119848868 829313039 /nfs/dbraw/zinc/31/30/39/829313039.db2.gz RVWYGIHOELIHQJ-NXEZZACHSA-N -1 0 301.343 -0.804 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC001119848216 829313279 /nfs/dbraw/zinc/31/32/79/829313279.db2.gz JELWNLWILXQXHE-NKWVEPMBSA-N -1 0 311.260 -0.421 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(C)c(C)c1 ZINC001119885485 829318025 /nfs/dbraw/zinc/31/80/25/829318025.db2.gz ILOKHNFFSBXHDA-UHFFFAOYSA-N -1 0 307.350 -0.244 20 0 DBADRM CO[N-]C(=O)CNc1ccc2nnc(Br)n2n1 ZINC001120064094 829332964 /nfs/dbraw/zinc/33/29/64/829332964.db2.gz BHDLFWWTTAJQFD-UHFFFAOYSA-N -1 0 301.104 -0.024 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CC[C@H](c2nccs2)C1 ZINC001120190268 829340672 /nfs/dbraw/zinc/34/06/72/829340672.db2.gz PNIGLLJVXSQRHT-QMMMGPOBSA-N -1 0 309.355 -0.199 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001120190861 829340937 /nfs/dbraw/zinc/34/09/37/829340937.db2.gz RPTSEUYNJXEKEF-JTQLQIEISA-N -1 0 302.285 -0.024 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CC[C@H](C2CCOCC2)C1 ZINC001120286286 829348556 /nfs/dbraw/zinc/34/85/56/829348556.db2.gz VENDVLPLDBUHMQ-NSHDSACASA-N -1 0 310.358 -0.396 20 0 DBADRM Cn1[n-]nnc1=Nc1cc(C(=O)N2CCOCC2)ccc1F ZINC001176243372 833402374 /nfs/dbraw/zinc/40/23/74/833402374.db2.gz ICYDYBKZCINUFK-UHFFFAOYSA-N -1 0 306.301 -0.013 20 0 DBADRM Cc1nccc(N[C@@H](C)CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001120928110 829411561 /nfs/dbraw/zinc/41/15/61/829411561.db2.gz HMSBHQCCAPYTLS-ZETCQYMHSA-N -1 0 319.325 -0.046 20 0 DBADRM COCCO[C@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2C)C1 ZINC001121351387 829467075 /nfs/dbraw/zinc/46/70/75/829467075.db2.gz SLAZEQDSIMBNCO-JTQLQIEISA-N -1 0 322.369 -0.329 20 0 DBADRM O=C(NC1C(=O)N=CN=C1[O-])[C@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176621873 833411414 /nfs/dbraw/zinc/41/14/14/833411414.db2.gz NCEBPKYZEKFQAJ-YFKPBYRVSA-N -1 0 319.277 -0.167 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)[C@@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176680495 833416052 /nfs/dbraw/zinc/41/60/52/833416052.db2.gz ADHDVYSYZZASQO-SSDOTTSWSA-N -1 0 323.305 -0.457 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CC([C@H]2CCOC2)C1 ZINC001121838023 829518375 /nfs/dbraw/zinc/51/83/75/829518375.db2.gz HUBPOUHQQXFJFO-NSHDSACASA-N -1 0 316.354 -0.218 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CC([C@@H]2CCOC2)C1 ZINC001121838020 829518584 /nfs/dbraw/zinc/51/85/84/829518584.db2.gz HUBPOUHQQXFJFO-LLVKDONJSA-N -1 0 316.354 -0.218 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)[C@]2(C(=O)[O-])C[NH2+]CCO2)C12CCC2 ZINC001121888137 829523700 /nfs/dbraw/zinc/52/37/00/829523700.db2.gz QBKVYGJRDOHKGI-RWSFTLGLSA-N -1 0 312.366 -0.107 20 0 DBADRM O=C(CCc1nc(-c2cccnc2)no1)NCc1nnn[n-]1 ZINC001176784546 833420177 /nfs/dbraw/zinc/42/01/77/833420177.db2.gz OSWKVZCYABEWOH-UHFFFAOYSA-N -1 0 300.282 -0.106 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCN(c2nc3ccccc3[nH]2)CC1 ZINC001176840054 833421632 /nfs/dbraw/zinc/42/16/32/833421632.db2.gz GRNAQCMBCRSZAS-UHFFFAOYSA-N -1 0 312.337 -0.033 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001176840037 833422259 /nfs/dbraw/zinc/42/22/59/833422259.db2.gz GKECHSQJDJFJTH-LLVKDONJSA-N -1 0 321.362 -0.183 20 0 DBADRM CO[C@@H](CNC(=O)[C@@]1(C(=O)[O-])C[NH2+]CCO1)C1CCCC1 ZINC001122154989 829552781 /nfs/dbraw/zinc/55/27/81/829552781.db2.gz WFHNQTIAPAFBCI-SMDDNHRTSA-N -1 0 300.355 -0.249 20 0 DBADRM CC(=O)NCc1ncn2c1CN(C(=O)Cc1nnn[n-]1)CCC2 ZINC001176839815 833422346 /nfs/dbraw/zinc/42/23/46/833422346.db2.gz DDIWKKGBBHRMPL-UHFFFAOYSA-N -1 0 318.341 -0.993 20 0 DBADRM COC(=O)c1cccc(C(=O)OC)c1NC(=O)Cc1nnn[n-]1 ZINC001176842496 833422886 /nfs/dbraw/zinc/42/28/86/833422886.db2.gz KUXBWFGRAUQXLE-UHFFFAOYSA-N -1 0 319.277 -0.046 20 0 DBADRM COC(=O)c1cc(O)c(OC)cc1NC(=O)Cc1nnn[n-]1 ZINC001176842262 833423142 /nfs/dbraw/zinc/42/31/42/833423142.db2.gz FGYWQDYIEZAOMB-UHFFFAOYSA-N -1 0 307.266 -0.118 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001176840286 833423161 /nfs/dbraw/zinc/42/31/61/833423161.db2.gz OCDVSNZXWMIMKT-UHFFFAOYSA-N -1 0 314.309 -0.440 20 0 DBADRM CC(C)N1CC2(CC1=O)CCN(C(=O)Cc1nnn[n-]1)CC2 ZINC001176842111 833423788 /nfs/dbraw/zinc/42/37/88/833423788.db2.gz CPMOGJQUDMCRAW-UHFFFAOYSA-N -1 0 306.370 -0.008 20 0 DBADRM O=C(Cc1nnn[n-]1)NC1CCN(C(=O)NC2CCCC2)CC1 ZINC001176846924 833424304 /nfs/dbraw/zinc/42/43/04/833424304.db2.gz BDIADBIKBAQYKQ-UHFFFAOYSA-N -1 0 321.385 -0.025 20 0 DBADRM CC(C)CC1(NC(=O)Cc2nnn[n-]2)CCS(=O)(=O)CC1 ZINC001176847346 833424492 /nfs/dbraw/zinc/42/44/92/833424492.db2.gz SBKKVMUXYTWIDF-UHFFFAOYSA-N -1 0 315.399 -0.148 20 0 DBADRM COc1cc(NC(=O)Cc2nnn[n-]2)cc(-n2cncn2)c1 ZINC001176845625 833425192 /nfs/dbraw/zinc/42/51/92/833425192.db2.gz WPFHCAPCGIHANZ-UHFFFAOYSA-N -1 0 300.282 -0.030 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C\c1nccs1 ZINC001123738327 829676671 /nfs/dbraw/zinc/67/66/71/829676671.db2.gz TXZZUKIRBAULDR-IHWYPQMZSA-N -1 0 303.365 -0.262 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNCc2ncnn2CCF)c1[O-] ZINC001125728712 829876477 /nfs/dbraw/zinc/87/64/77/829876477.db2.gz LAVKTFPBXYEDQN-UHFFFAOYSA-N -1 0 311.321 -0.496 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC001179623811 833553464 /nfs/dbraw/zinc/55/34/64/833553464.db2.gz ULIRHPPIPIUULZ-UHFFFAOYSA-N -1 0 315.289 -0.417 20 0 DBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001180172086 833571259 /nfs/dbraw/zinc/57/12/59/833571259.db2.gz LJNKJEAMAPJKLD-PHDIDXHHSA-N -1 0 303.208 -0.457 20 0 DBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001180172085 833571381 /nfs/dbraw/zinc/57/13/81/833571381.db2.gz LJNKJEAMAPJKLD-NTSWFWBYSA-N -1 0 303.208 -0.457 20 0 DBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001180176115 833571761 /nfs/dbraw/zinc/57/17/61/833571761.db2.gz MLVZSOUSRXGSCL-SCSAIBSYSA-N -1 0 307.221 -0.355 20 0 DBADRM CCc1[nH]nc(C(=O)NCC[NH2+]Cc2n[nH]c(=O)[n-]2)c1Cl ZINC001129714698 830203646 /nfs/dbraw/zinc/20/36/46/830203646.db2.gz PVFZRJWGOLFNKF-UHFFFAOYSA-N -1 0 313.749 -0.031 20 0 DBADRM CCc1noc([C@@H](C)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001130865111 830401611 /nfs/dbraw/zinc/40/16/11/830401611.db2.gz PWKAEGJWHRFDIN-ZCFIWIBFSA-N -1 0 323.313 -0.691 20 0 DBADRM CCc1noc([C@H](C)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001130865110 830401766 /nfs/dbraw/zinc/40/17/66/830401766.db2.gz PWKAEGJWHRFDIN-LURJTMIESA-N -1 0 323.313 -0.691 20 0 DBADRM CCNC(=O)CC(=O)N[C@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001131984208 830570745 /nfs/dbraw/zinc/57/07/45/830570745.db2.gz HETVVTPXGNPCDR-ZJUUUORDSA-N -1 0 324.385 -0.494 20 0 DBADRM Cc1nnc([C@H](C)NCCNC(=O)c2cnc([O-])n(C)c2=O)o1 ZINC001132242647 830612929 /nfs/dbraw/zinc/61/29/29/830612929.db2.gz WYSHXCFDCRSUTR-ZETCQYMHSA-N -1 0 322.325 -0.742 20 0 DBADRM CC(=O)N[C@H](CC(F)(F)F)C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001181339466 833627988 /nfs/dbraw/zinc/62/79/88/833627988.db2.gz MMWBOXMZIGMNHW-CLZZGJSISA-N -1 0 313.257 -0.131 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)CC(=O)N(C)C)CN1Cc1n[nH]c(=O)[n-]1 ZINC001132352908 830635869 /nfs/dbraw/zinc/63/58/69/830635869.db2.gz BXYWSIHWXMHVGV-VHSXEESVSA-N -1 0 324.385 -0.542 20 0 DBADRM O=C(NCCNCc1nncs1)c1c[n-]n2c1nccc2=O ZINC001134941350 830993505 /nfs/dbraw/zinc/99/35/05/830993505.db2.gz BVOIMOWRNPAATM-UHFFFAOYSA-N -1 0 319.350 -0.606 20 0 DBADRM CON(CCC(=O)N[C@@H]1CO[N-]C1=O)C(=O)OC(C)(C)C ZINC001182625593 833683938 /nfs/dbraw/zinc/68/39/38/833683938.db2.gz QNHMEYNLDWQPJF-MRVPVSSYSA-N -1 0 303.315 -0.279 20 0 DBADRM COc1ccccc1OCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001135422756 831069908 /nfs/dbraw/zinc/06/99/08/831069908.db2.gz FACLQGJAMZIBCJ-UHFFFAOYSA-N -1 0 308.294 -0.107 20 0 DBADRM O=C(Nc1ncc(Br)[nH]c1=O)C1(CO)COC1 ZINC001184047312 833746279 /nfs/dbraw/zinc/74/62/79/833746279.db2.gz LNVSPWQLBVRIKW-UHFFFAOYSA-N -1 0 304.100 -0.520 20 0 DBADRM C[C@@H]1CCC[C@@H](C)N1C(=O)C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001135914244 831137912 /nfs/dbraw/zinc/13/79/12/831137912.db2.gz ZXFVVSKXIHPXEN-NXEZZACHSA-N -1 0 324.385 -0.494 20 0 DBADRM Cn1cnc2ccc(C(=O)N3CCO[C@H](c4nnn[n-]4)C3)nc21 ZINC001136656030 831164920 /nfs/dbraw/zinc/16/49/20/831164920.db2.gz QQFZBJZFBKRJMI-JTQLQIEISA-N -1 0 314.309 -0.305 20 0 DBADRM CN1CCCC[C@@H](C(=O)N2CCO[C@H](c3nnn[n-]3)C2)C1=O ZINC001136655981 831164979 /nfs/dbraw/zinc/16/49/79/831164979.db2.gz OOOJUIVMNRYOGL-ZJUUUORDSA-N -1 0 308.342 -0.642 20 0 DBADRM O=C([N-]OCc1ccc(F)cc1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001138146422 831173406 /nfs/dbraw/zinc/17/34/06/831173406.db2.gz NHBSYJPZBFILQV-JTQLQIEISA-N -1 0 316.310 -0.713 20 0 DBADRM O=C(CCc1[nH]c(O)nc1O)NCc1n[nH]c(C(F)(F)F)n1 ZINC001138639212 831177191 /nfs/dbraw/zinc/17/71/91/831177191.db2.gz NLWTZPQFFIQNOU-SCSAIBSYSA-N -1 0 320.231 -0.572 20 0 DBADRM O=C(CN1CCSC1=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001138986783 831178257 /nfs/dbraw/zinc/17/82/57/831178257.db2.gz IOPXXXLTYGAXQF-UHFFFAOYSA-N -1 0 312.355 -0.822 20 0 DBADRM COCCO[C@H]1C[C@@H](CO)CN(C(=O)CCc2nnn[n-]2)C1 ZINC001139658184 831181209 /nfs/dbraw/zinc/18/12/09/831181209.db2.gz NHLDVNVQUACRGI-MNOVXSKESA-N -1 0 313.358 -0.995 20 0 DBADRM O=C(Cn1cncn1)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001142129486 831204030 /nfs/dbraw/zinc/20/40/30/831204030.db2.gz KABVVAOWGZCNBJ-UHFFFAOYSA-N -1 0 307.291 -0.651 20 0 DBADRM O=C(Cn1cccn1)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001142156097 831206912 /nfs/dbraw/zinc/20/69/12/831206912.db2.gz JVJSYZGLXSEPEK-UHFFFAOYSA-N -1 0 306.303 -0.046 20 0 DBADRM O=C(CCn1c(=O)oc2ccccc21)NCS(=O)(=O)[O-] ZINC001142445507 831213015 /nfs/dbraw/zinc/21/30/15/831213015.db2.gz BXIUNDWFKRVMDD-UHFFFAOYSA-N -1 0 300.292 -0.054 20 0 DBADRM Cn1cc(C[C@H](CO)NC(=O)c2ccc3oc(=O)nc-3[n-]2)cn1 ZINC001142582146 831215304 /nfs/dbraw/zinc/21/53/04/831215304.db2.gz ZZNKKHNSLKOTTB-SECBINFHSA-N -1 0 317.305 -0.005 20 0 DBADRM CC(C)/C=C/C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001142655838 831217917 /nfs/dbraw/zinc/21/79/17/831217917.db2.gz CEORGJNIZXOZDR-VEFQMGLTSA-N -1 0 317.327 -0.439 20 0 DBADRM CC(C)CC(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001142704129 831218217 /nfs/dbraw/zinc/21/82/17/831218217.db2.gz JONAYMKTAJPITQ-UHFFFAOYSA-N -1 0 305.316 -0.605 20 0 DBADRM CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCCC[P@@](=O)([O-])O ZINC001143038461 831227278 /nfs/dbraw/zinc/22/72/78/831227278.db2.gz WNQBWAPCUSNBRS-ZJUUUORDSA-N -1 0 308.271 -0.958 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)[C@@H]1CNC(=O)C1 ZINC001143297104 831235047 /nfs/dbraw/zinc/23/50/47/831235047.db2.gz GYVBBTKLKLCEOH-LURJTMIESA-N -1 0 309.303 -0.807 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)Cn1ncc(=O)c2ccccc21 ZINC001143361127 831236054 /nfs/dbraw/zinc/23/60/54/831236054.db2.gz RIUCMVZXZGXSMO-UHFFFAOYSA-N -1 0 315.289 -0.269 20 0 DBADRM O=C([O-])C(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001143413810 831236781 /nfs/dbraw/zinc/23/67/81/831236781.db2.gz WZHUGEVTXHDSAZ-UHFFFAOYSA-N -1 0 305.338 -0.190 20 0 DBADRM COC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(C(=O)C(=O)[O-])C1 ZINC001143415588 831236880 /nfs/dbraw/zinc/23/68/80/831236880.db2.gz NQDWJQFNYPBUGA-ZDUSSCGKSA-N -1 0 316.310 -0.260 20 0 DBADRM O=C([O-])C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001143419438 831237049 /nfs/dbraw/zinc/23/70/49/831237049.db2.gz MKHYAYWGDMMWKZ-MXWKQRLJSA-N -1 0 312.322 -0.654 20 0 DBADRM CC(C)(C)OC(=O)NCCOCCOCCNC(=O)C(=O)[O-] ZINC001143423046 831237067 /nfs/dbraw/zinc/23/70/67/831237067.db2.gz WNEQXFUAWTUDEZ-UHFFFAOYSA-N -1 0 320.342 -0.255 20 0 DBADRM O=C([O-])C(=O)NC1(Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001143429159 831237326 /nfs/dbraw/zinc/23/73/26/831237326.db2.gz INXXGFZCEJUVHF-UHFFFAOYSA-N -1 0 312.347 -0.228 20 0 DBADRM COc1cc(C[C@H](O)C(=O)NCS(=O)(=O)[O-])ccc1O ZINC001143603406 831240875 /nfs/dbraw/zinc/24/08/75/831240875.db2.gz SSTNKOGRNUHAGB-VIFPVBQESA-N -1 0 305.308 -0.734 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1[C@@H](O)CCN1Cc1ccccc1 ZINC001143674655 831241919 /nfs/dbraw/zinc/24/19/19/831241919.db2.gz FBFBXTIWDBOTSH-WCQYABFASA-N -1 0 317.349 -0.238 20 0 DBADRM COC(=O)C[C@H](C)CC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001144383704 831252996 /nfs/dbraw/zinc/25/29/96/831252996.db2.gz WNCPPJNTLDWSAD-FWWHASMVSA-N -1 0 322.339 -0.906 20 0 DBADRM CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)COCCOC)n1 ZINC001146854273 831302383 /nfs/dbraw/zinc/30/23/83/831302383.db2.gz DVDRHASMODRUFK-MRVPVSSYSA-N -1 0 300.315 -0.178 20 0 DBADRM CC(C)OCC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001147153277 831343557 /nfs/dbraw/zinc/34/35/57/831343557.db2.gz RJSCVSQNBYKTGZ-UHFFFAOYSA-N -1 0 309.370 -0.030 20 0 DBADRM CCNC(=O)CN1CCC2(CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC001147346328 831364376 /nfs/dbraw/zinc/36/43/76/831364376.db2.gz OEZARDCKRINWPZ-UHFFFAOYSA-N -1 0 321.381 -0.292 20 0 DBADRM N=C(NC(=O)c1ccc(=O)oc1)SCCS(=O)(=O)[O-] ZINC001147596268 831383301 /nfs/dbraw/zinc/38/33/01/831383301.db2.gz UEEJGUYOEYMFSB-UHFFFAOYSA-N -1 0 306.321 -0.075 20 0 DBADRM N=C(NC(=O)c1c[nH]c(=O)cn1)SCCS(=O)(=O)[O-] ZINC001147630210 831388326 /nfs/dbraw/zinc/38/83/26/831388326.db2.gz KBSGUPYFJBGGQB-UHFFFAOYSA-N -1 0 306.325 -0.945 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)NCCC[C@H]1CCOC1=O ZINC001177052270 833452651 /nfs/dbraw/zinc/45/26/51/833452651.db2.gz PIMKJOAEOZVWGE-ZETCQYMHSA-N -1 0 311.294 -0.031 20 0 DBADRM Cc1ncc(CO)c(C(=O)N=c2ncnc3[nH][nH]cc2-3)c1[O-] ZINC001147833586 831410167 /nfs/dbraw/zinc/41/01/67/831410167.db2.gz INGJPAMFRCEBGD-UHFFFAOYSA-N -1 0 300.278 -0.120 20 0 DBADRM Cn1ccc(C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)c1CC(=O)[O-] ZINC001177370354 833465323 /nfs/dbraw/zinc/46/53/23/833465323.db2.gz NGPQMUQMGRUYIZ-KYZUINATSA-N -1 0 314.363 -0.042 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)C1=CN2C(=CC=C[C@@H]2C(F)(F)F)N1 ZINC001148012836 831423573 /nfs/dbraw/zinc/42/35/73/831423573.db2.gz PCYYKSAVUKEMDC-HTQZYQBOSA-N -1 0 316.239 -0.379 20 0 DBADRM Cn1ccc(C(=O)NC2CN(S(C)(=O)=O)C2)c1CC(=O)[O-] ZINC001177371016 833465041 /nfs/dbraw/zinc/46/50/41/833465041.db2.gz UAGCXTDQGDRKIW-UHFFFAOYSA-N -1 0 315.351 -0.974 20 0 DBADRM Cn1ccc(C(=O)NCCCc2c[nH][nH]c2=O)c1CC(=O)[O-] ZINC001177371062 833465050 /nfs/dbraw/zinc/46/50/50/833465050.db2.gz VLWWTKUCJUYSID-SECBINFHSA-N -1 0 306.322 -0.106 20 0 DBADRM C[C@@H](O)[C@@H](CO)NC(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148914690 831477435 /nfs/dbraw/zinc/47/74/35/831477435.db2.gz BPYQCNPEQKEOFT-HZGVNTEJSA-N -1 0 305.308 -0.890 20 0 DBADRM O=C(NC[C@@H]1CNC(=O)C1)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148927258 831479433 /nfs/dbraw/zinc/47/94/33/831479433.db2.gz JYJCPWYJUJDDFM-ZETCQYMHSA-N -1 0 314.319 -0.495 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)C(F)F ZINC001148994172 831483870 /nfs/dbraw/zinc/48/38/70/831483870.db2.gz CXZFTAIDAWHNKF-SSDOTTSWSA-N -1 0 305.285 -0.518 20 0 DBADRM Cc1nc(CNCCNC(=O)Cn2c(=O)[n-][nH]c2=O)c(C)o1 ZINC001149161106 831503016 /nfs/dbraw/zinc/50/30/16/831503016.db2.gz ODMZENKNUREIPX-UHFFFAOYSA-N -1 0 310.314 -0.800 20 0 DBADRM CC(C)c1ocnc1CNCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001149161688 831503086 /nfs/dbraw/zinc/50/30/86/831503086.db2.gz YQKUHKOBUXPAFU-UHFFFAOYSA-N -1 0 324.341 -0.293 20 0 DBADRM Cc1cnc(CNCCNC(=O)Cn2c(=O)[n-][nH]c2=O)s1 ZINC001149161700 831503108 /nfs/dbraw/zinc/50/31/08/831503108.db2.gz ZICSTWCKZPUZKS-UHFFFAOYSA-N -1 0 312.355 -0.640 20 0 DBADRM CO[C@H](C)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001149309437 831516958 /nfs/dbraw/zinc/51/69/58/831516958.db2.gz GBSAVAUBNBPFOZ-ZJUUUORDSA-N -1 0 313.358 -0.748 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2c[nH]c3ncccc23)C(=O)N1S(=O)(=O)[O-] ZINC001149374162 831525975 /nfs/dbraw/zinc/52/59/75/831525975.db2.gz IQPWCRMGMHACLK-RCOVLWMOSA-N -1 0 324.318 -0.305 20 0 DBADRM CNc1ccc2ncc(C(=O)N[C@@H]3SC(=O)[N-]C3=O)n2n1 ZINC001149638710 831557036 /nfs/dbraw/zinc/55/70/36/831557036.db2.gz UFYAHGYZRWROJF-SNVBAGLBSA-N -1 0 306.307 -0.190 20 0 DBADRM Nc1nonc1[N-]C(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 ZINC001149827624 831571946 /nfs/dbraw/zinc/57/19/46/831571946.db2.gz QKYMKTWZVDBAFF-UHFFFAOYSA-N -1 0 312.249 -0.212 20 0 DBADRM Cc1nnc2ccc(C(=O)N3CCOC[C@@H]3c3nnn[n-]3)cn12 ZINC001150803396 831647433 /nfs/dbraw/zinc/64/74/33/831647433.db2.gz OYSHNINALAQORX-SNVBAGLBSA-N -1 0 314.309 -0.235 20 0 DBADRM O=C(Cc1ccc(-n2cnnc2)cc1)NCc1nc(=O)o[n-]1 ZINC001151977589 831718630 /nfs/dbraw/zinc/71/86/30/831718630.db2.gz NYUJUBLRZPKRSJ-UHFFFAOYSA-N -1 0 300.278 -0.198 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001152066825 831722754 /nfs/dbraw/zinc/72/27/54/831722754.db2.gz VJHZOKMZNUOLOH-ZJUUUORDSA-N -1 0 313.358 -0.748 20 0 DBADRM Cn1nnc2c(C(=O)[N-]c3noc4nccnc34)ncn2c1=O ZINC001152745471 831772279 /nfs/dbraw/zinc/77/22/79/831772279.db2.gz BHOZLYKSBLDQCP-UHFFFAOYSA-N -1 0 313.237 -0.994 20 0 DBADRM Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)[N-]OCC(N)=O ZINC001152779519 831775867 /nfs/dbraw/zinc/77/58/67/831775867.db2.gz XGRWUIGOGOQECQ-NSHDSACASA-N -1 0 304.310 -0.702 20 0 DBADRM CO[C@@H](C(=O)OC(C)(C)C)C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001153002360 831785510 /nfs/dbraw/zinc/78/55/10/831785510.db2.gz TZFSZXAKPNDCPK-DTWKUNHWSA-N -1 0 311.342 -0.128 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cnc3cc[nH]cc2-3)C(=O)N1S(=O)(=O)[O-] ZINC001152982876 831785816 /nfs/dbraw/zinc/78/58/16/831785816.db2.gz HURRILQRBFCEKD-WKEGUHRASA-N -1 0 324.318 -0.305 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1ncn(C)n1 ZINC001153140347 831794215 /nfs/dbraw/zinc/79/42/15/831794215.db2.gz ZZVGBVGQLGCYFJ-MRVPVSSYSA-N -1 0 308.346 -0.721 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001153689216 831824536 /nfs/dbraw/zinc/82/45/36/831824536.db2.gz ZSFXKNLVPAQPPX-NXEZZACHSA-N -1 0 324.385 -0.685 20 0 DBADRM O=C(c1c[n-]c2cccnc2c1=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001153859204 831841671 /nfs/dbraw/zinc/84/16/71/831841671.db2.gz YKNLUBJUIIWWGF-JOYOIKCWSA-N -1 0 303.318 -0.262 20 0 DBADRM NC(=O)N1CCN(C(=O)c2c[n-]c3cccnc3c2=O)CC1 ZINC001153856885 831842377 /nfs/dbraw/zinc/84/23/77/831842377.db2.gz ZEAJBKMHNRRDPD-UHFFFAOYSA-N -1 0 301.306 -0.240 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@@H]1CCCNC1=O ZINC001153914396 831849326 /nfs/dbraw/zinc/84/93/26/831849326.db2.gz LAIIQVDKAZUHHQ-NXEZZACHSA-N -1 0 324.385 -0.637 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@]1(C)CNC(=O)C1 ZINC001154448049 831878827 /nfs/dbraw/zinc/87/88/27/831878827.db2.gz FHYFCBUGZVPPFQ-OTYXRUKQSA-N -1 0 324.385 -0.637 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1c[nH]c(=O)n1C ZINC001154631068 831892321 /nfs/dbraw/zinc/89/23/21/831892321.db2.gz IGXGTSQRJWXJET-MRVPVSSYSA-N -1 0 323.357 -0.410 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1n[nH]c(=O)c2ncccc12 ZINC001154623060 831892397 /nfs/dbraw/zinc/89/23/97/831892397.db2.gz JKIYTGODKKIFIK-SNVBAGLBSA-N -1 0 305.275 -0.231 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001154682706 831893962 /nfs/dbraw/zinc/89/39/62/831893962.db2.gz OXXFFBRIQFRHEU-ZJUUUORDSA-N -1 0 324.385 -0.542 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1nnn[n-]1 ZINC001155070776 831915062 /nfs/dbraw/zinc/91/50/62/831915062.db2.gz YXZWJZPQIATBBB-LLVKDONJSA-N -1 0 314.309 -0.102 20 0 DBADRM Cn1nc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)cc1C=O ZINC001155134165 831918525 /nfs/dbraw/zinc/91/85/25/831918525.db2.gz CUJGRHQKPBAKQZ-VIFPVBQESA-N -1 0 303.326 -0.159 20 0 DBADRM O=C(C[C@H]1CC(=O)NC1=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001155135022 831918657 /nfs/dbraw/zinc/91/86/57/831918657.db2.gz QCHZKVNCQIQOIG-RKDXNWHRSA-N -1 0 306.326 -0.966 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)CC(=O)N(C)C ZINC001155688738 831946748 /nfs/dbraw/zinc/94/67/48/831946748.db2.gz ZYWCOOWMNJHALC-SECBINFHSA-N -1 0 312.374 -0.685 20 0 DBADRM CS(=O)(=O)n1cc2c(n1)CN(c1nccnc1CC(=O)[O-])C2 ZINC001155750321 831950071 /nfs/dbraw/zinc/95/00/71/831950071.db2.gz SGBUJHZQNBYXAW-UHFFFAOYSA-N -1 0 323.334 -0.372 20 0 DBADRM NC(=O)[C@@H]1CCCN1c1cc(N[C@H]2SC(=O)[N-]C2=O)ncn1 ZINC001155844565 831955620 /nfs/dbraw/zinc/95/56/20/831955620.db2.gz OTOOSDRSFVNHIM-KGFZYKRKSA-N -1 0 322.350 -0.348 20 0 DBADRM CCN(Cc1ccon1)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001156624218 831993058 /nfs/dbraw/zinc/99/30/58/831993058.db2.gz TZSDCCZNMPVMCZ-SECBINFHSA-N -1 0 324.341 -0.296 20 0 DBADRM CCOC(=O)[C@@H]1CCc2nnc(N[C@@H]3CO[N-]C3=O)cc2C1 ZINC001156696486 831994907 /nfs/dbraw/zinc/99/49/07/831994907.db2.gz GTQRHYAVYZRONM-LDYMZIIASA-N -1 0 306.322 -0.014 20 0 DBADRM COC(=O)C1CCN(c2ccc(N[C@@H]3CO[N-]C3=O)nn2)CC1 ZINC001156695197 831995034 /nfs/dbraw/zinc/99/50/34/831995034.db2.gz PANBGHKDQIKMCO-SNVBAGLBSA-N -1 0 321.337 -0.292 20 0 DBADRM CCOC(=O)c1cnc(N[C@@H]2CO[N-]C2=O)nc1C(=O)OCC ZINC001156691454 831995209 /nfs/dbraw/zinc/99/52/09/831995209.db2.gz RIJLCWWNBWGBKX-MRVPVSSYSA-N -1 0 324.293 -0.328 20 0 DBADRM CC(C)NS(=O)(=O)c1ccc(N[C@@H]2CO[N-]C2=O)nc1 ZINC001156697395 831995544 /nfs/dbraw/zinc/99/55/44/831995544.db2.gz QHOCMXGNHHXYFB-SECBINFHSA-N -1 0 300.340 -0.390 20 0 DBADRM CCN(C)c1ccnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157064674 832018411 /nfs/dbraw/zinc/01/84/11/832018411.db2.gz GCVVUSBNINKIMU-CBAPKCEASA-N -1 0 315.355 -0.253 20 0 DBADRM C[C@H]1[C@H](Nc2ncc3cccnc3n2)C(=O)N1S(=O)(=O)[O-] ZINC001157071076 832019149 /nfs/dbraw/zinc/01/91/49/832019149.db2.gz NGXXDMWQPCVELU-XPUUQOCRSA-N -1 0 309.307 -0.161 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001157227217 832027931 /nfs/dbraw/zinc/02/79/31/832027931.db2.gz DBRDOGZQRCSVME-QWRGUYRKSA-N -1 0 324.337 -0.583 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccc2[nH]c3c(c2c1)CCNC3=O ZINC001157281801 832030836 /nfs/dbraw/zinc/03/08/36/832030836.db2.gz DWDMUCRARAWSGB-UHFFFAOYSA-N -1 0 311.305 -0.103 20 0 DBADRM Cn1nnc2c1ncnc2NC(=N)SCCS(=O)(=O)[O-] ZINC001157326676 832034565 /nfs/dbraw/zinc/03/45/65/832034565.db2.gz ZJZMBQHXBAKRRP-UHFFFAOYSA-N -1 0 317.356 -0.274 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C ZINC001157837459 832065801 /nfs/dbraw/zinc/06/58/01/832065801.db2.gz YILQKXZHZJDJJY-IUCAKERBSA-N -1 0 301.343 -0.059 20 0 DBADRM CC(=O)NCC(=O)NCCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001159088472 832156214 /nfs/dbraw/zinc/15/62/14/832156214.db2.gz BKQXVGSJMYTNIQ-UHFFFAOYSA-N -1 0 322.369 -0.715 20 0 DBADRM Cc1c(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])ncn1C ZINC001185654129 833803845 /nfs/dbraw/zinc/80/38/45/833803845.db2.gz MYFBLLDMXGBWKB-UHFFFAOYSA-N -1 0 304.247 -0.784 20 0 DBADRM C[C@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1ccncc1 ZINC001185654091 833803935 /nfs/dbraw/zinc/80/39/35/833803935.db2.gz MEOLOPFQLHEYKQ-QMMMGPOBSA-N -1 0 315.270 -0.192 20 0 DBADRM C[C@H]1CC[C@H](CO)CN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185652663 833803946 /nfs/dbraw/zinc/80/39/46/833803946.db2.gz ABMOSOCWURSIDS-IUCAKERBSA-N -1 0 322.302 -0.845 20 0 DBADRM COC[C@@H]1CCCCN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653660 833804038 /nfs/dbraw/zinc/80/40/38/833804038.db2.gz HLFBKXANIZGCIR-VIFPVBQESA-N -1 0 322.302 -0.437 20 0 DBADRM Cc1cncnc1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654280 833804075 /nfs/dbraw/zinc/80/40/75/833804075.db2.gz MLFWXOLIDUESFF-UHFFFAOYSA-N -1 0 302.231 -0.728 20 0 DBADRM CN(CC(=O)N1CCCC(=O)[C@H](F)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185652734 833804175 /nfs/dbraw/zinc/80/41/75/833804175.db2.gz BNZIKLPCZGINCX-SSDOTTSWSA-N -1 0 324.249 -0.935 20 0 DBADRM CN(CC(=O)NCOc1ccccc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663288 833804517 /nfs/dbraw/zinc/80/45/17/833804517.db2.gz JPEURERPCSHXEO-UHFFFAOYSA-N -1 0 316.254 -0.312 20 0 DBADRM COC1CCC(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC1 ZINC001185662487 833804531 /nfs/dbraw/zinc/80/45/31/833804531.db2.gz CEDOIWVJQIQYHF-UHFFFAOYSA-N -1 0 322.302 -0.391 20 0 DBADRM C[C@@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])[C@@H](C)CO1 ZINC001185661798 833804663 /nfs/dbraw/zinc/80/46/63/833804663.db2.gz NOCPAEFKUUNXIQ-JGVFFNPUSA-N -1 0 308.275 -0.829 20 0 DBADRM CN(CC(=O)NC[C@H]1CC(C)(C)O1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663359 833804695 /nfs/dbraw/zinc/80/46/95/833804695.db2.gz KNLOPGBTALZCMD-SSDOTTSWSA-N -1 0 308.275 -0.781 20 0 DBADRM CN(CC(=O)N[C@@H]1CCOC(C)(C)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663784 833805033 /nfs/dbraw/zinc/80/50/33/833805033.db2.gz NPNQHBZIDOHLKL-MRVPVSSYSA-N -1 0 322.302 -0.391 20 0 DBADRM COC[C@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1CC1 ZINC001185667800 833805895 /nfs/dbraw/zinc/80/58/95/833805895.db2.gz QAJMFFMSUSRXSX-QMMMGPOBSA-N -1 0 308.275 -0.924 20 0 DBADRM CN1C[C@]2(CC1=O)CCCCN2C(=O)Cn1nn[n-]c1=S ZINC001269277128 832407068 /nfs/dbraw/zinc/40/70/68/832407068.db2.gz FETDBMGEONWQIG-GFCCVEGCSA-N -1 0 310.383 -0.425 20 0 DBADRM CN1CC[C@@]2(CCCN(C(=O)Cn3nn[n-]c3=S)CC2)C1=O ZINC001269277528 832407189 /nfs/dbraw/zinc/40/71/89/832407189.db2.gz MDXTXHXRWTXURJ-CYBMUJFWSA-N -1 0 324.410 -0.177 20 0 DBADRM Cc1cc(O)ccc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001186195596 833837909 /nfs/dbraw/zinc/83/79/09/833837909.db2.gz SBAWIJXHEMJASA-XVKPBYJWSA-N -1 0 314.319 -0.167 20 0 DBADRM CCCCN1C[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269576343 832451228 /nfs/dbraw/zinc/45/12/28/832451228.db2.gz JGLQJXVSPBOPGV-CQSZACIVSA-N -1 0 322.369 -0.628 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCC[C@]12CCN(CC(F)F)C2=O ZINC001269577690 832451725 /nfs/dbraw/zinc/45/17/25/832451725.db2.gz OCNIZGAGNWCAKL-GFCCVEGCSA-N -1 0 314.296 -0.399 20 0 DBADRM COCCCN1CC[C@@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001269577191 832451759 /nfs/dbraw/zinc/45/17/59/832451759.db2.gz GQCLOHZQGCDBBP-AWEZNQCLSA-N -1 0 322.369 -0.628 20 0 DBADRM CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)Cc1nnn[n-]1)C2 ZINC001270182301 832509899 /nfs/dbraw/zinc/50/98/99/832509899.db2.gz BYQYTHHDJSUMTP-ZJUUUORDSA-N -1 0 307.358 -0.607 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C[C@@H]2C(=O)N2CC=CC2)C1 ZINC001270938129 832598555 /nfs/dbraw/zinc/59/85/55/832598555.db2.gz AFMRPTYVKLQTLO-SECBINFHSA-N -1 0 320.378 -0.791 20 0 DBADRM CC[C@H](C)N1C(=O)COCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001272284007 832767397 /nfs/dbraw/zinc/76/73/97/832767397.db2.gz YULQWBJJBLUMNK-VIFPVBQESA-N -1 0 308.338 -0.033 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CC[C@@H]2[C@H]1CCC(=O)N2C1COC1 ZINC001272285263 832767527 /nfs/dbraw/zinc/76/75/27/832767527.db2.gz FNEFFTGUIPTWHT-GHMZBOCLSA-N -1 0 306.322 -0.280 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CC[C@@]2(CCN(C3COC3)C2=O)C1 ZINC001272287256 832767660 /nfs/dbraw/zinc/76/76/60/832767660.db2.gz VOXHHMAAYSTBTH-CQSZACIVSA-N -1 0 306.322 -0.421 20 0 DBADRM C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc(=O)[nH][n-]1 ZINC001272287259 832767833 /nfs/dbraw/zinc/76/78/33/832767833.db2.gz VSJWAKQABDVCAK-VXGBXAGGSA-N -1 0 321.381 -0.118 20 0 DBADRM O=C(NC1COC1)[C@H]1CC12CCN(C(=O)c1cc(=O)[nH][n-]1)CC2 ZINC001272285164 832767883 /nfs/dbraw/zinc/76/78/83/832767883.db2.gz BNKLYAKBTVVSPK-SNVBAGLBSA-N -1 0 320.349 -0.127 20 0 DBADRM Cc1n[nH]c(C(=O)NCCC2=CCN(CC(N)=O)CC2)c1[O-] ZINC001159819549 832848688 /nfs/dbraw/zinc/84/86/88/832848688.db2.gz IDQQIXOOPZAFOP-UHFFFAOYSA-N -1 0 307.354 -0.339 20 0 DBADRM COC(CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)OC ZINC001159812580 832848743 /nfs/dbraw/zinc/84/87/43/832848743.db2.gz WOYXBDOASVXLMV-UHFFFAOYSA-N -1 0 308.294 -0.385 20 0 DBADRM NC(=O)C1=NO[C@@H]2CN(C(=O)C=C([O-])c3ccccc3)C[C@H]12 ZINC001273306630 832909134 /nfs/dbraw/zinc/90/91/34/832909134.db2.gz JYGIPPQSGNZNSM-CMPLNLGQSA-N -1 0 301.302 -0.042 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)[N-]N2CC(=O)NC2=O)s1 ZINC001160530023 832913806 /nfs/dbraw/zinc/91/38/06/832913806.db2.gz KLWSXKXGOVPWNC-UHFFFAOYSA-N -1 0 303.321 -0.652 20 0 DBADRM CC(C)=CC(=O)N[C@H]1COC2(CN(Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001273676088 832948427 /nfs/dbraw/zinc/94/84/27/832948427.db2.gz RDTYZKBWZWFNJV-LLVKDONJSA-N -1 0 321.381 -0.466 20 0 DBADRM COc1nc(Cl)nc(Nc2c([S-])[nH]c(=O)[nH]c2=O)n1 ZINC001160847593 832949755 /nfs/dbraw/zinc/94/97/55/832949755.db2.gz BGBROYGLSMVACP-REOHCLBHSA-N -1 0 302.703 -0.519 20 0 DBADRM Cc1nn(CC(=O)NCS(=O)(=O)[O-])cc1Br ZINC001177018954 833448905 /nfs/dbraw/zinc/44/89/05/833448905.db2.gz VMDFQFKALNCOJB-UHFFFAOYSA-N -1 0 312.145 -0.084 20 0 DBADRM Cc1nnc(CC(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)[nH]1 ZINC001177440067 833469090 /nfs/dbraw/zinc/46/90/90/833469090.db2.gz WNMCPBUOMUVSMW-UHFFFAOYSA-N -1 0 321.318 -0.274 20 0 DBADRM COc1ccc2nc(NC(=O)Cn3nn[n-]c3=S)nnc2c1 ZINC001177735571 833480486 /nfs/dbraw/zinc/48/04/86/833480486.db2.gz JODKSXWFMIHCQN-UHFFFAOYSA-N -1 0 318.322 -0.053 20 0 DBADRM CC(=O)N1CCCC[C@@]12CCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001177737796 833480640 /nfs/dbraw/zinc/48/06/40/833480640.db2.gz CMTIPKGQZCDIKA-ZDUSSCGKSA-N -1 0 324.410 -0.035 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001177743318 833481015 /nfs/dbraw/zinc/48/10/15/833481015.db2.gz JCYVAWONKCCJGW-UHFFFAOYSA-N -1 0 309.311 -0.802 20 0 DBADRM CC1(C)CN(C2CN(C(=O)Cn3nn[n-]c3=S)C2)CCO1 ZINC001177739307 833481037 /nfs/dbraw/zinc/48/10/37/833481037.db2.gz NBNLFRBJONJUBZ-UHFFFAOYSA-N -1 0 312.399 -0.717 20 0 DBADRM COC(=O)c1cncc(CNC(=O)Cn2nn[n-]c2=S)c1 ZINC001177742657 833481076 /nfs/dbraw/zinc/48/10/76/833481076.db2.gz GTSRDZAAYXXNBS-UHFFFAOYSA-N -1 0 308.323 -0.540 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(C(=O)Cn2nn[n-]c2=S)C1 ZINC001177739844 833481095 /nfs/dbraw/zinc/48/10/95/833481095.db2.gz UCMDQWMKKSGFMJ-UHFFFAOYSA-N -1 0 314.371 -0.001 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1nn[n-]c1=S)C1CCOCC1 ZINC001177742223 833481180 /nfs/dbraw/zinc/48/11/80/833481180.db2.gz AAFRQVNFLQDJRE-VIFPVBQESA-N -1 0 315.355 -0.954 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NCc1ccc(-n2ccnn2)cc1 ZINC001177745707 833481555 /nfs/dbraw/zinc/48/15/55/833481555.db2.gz DTQAWEFBIRHYQE-UHFFFAOYSA-N -1 0 316.350 -0.141 20 0 DBADRM CSCC[C@@H](NC(=O)Cn1nn[n-]c1=S)C(C)(C)O ZINC001177744300 833481559 /nfs/dbraw/zinc/48/15/59/833481559.db2.gz VJZJNBWKMNSMEZ-SSDOTTSWSA-N -1 0 305.429 -0.029 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NCCNC(=O)c1ccc(F)cc1 ZINC001177744212 833481667 /nfs/dbraw/zinc/48/16/67/833481667.db2.gz RQNPXIKABGJHIA-UHFFFAOYSA-N -1 0 324.341 -0.353 20 0 DBADRM COC(=O)[C@](C)(NC(=O)Cn1nn[n-]c1=S)C(F)(F)F ZINC001177744368 833481682 /nfs/dbraw/zinc/48/16/82/833481682.db2.gz YCPHGEVKBUYRQT-ZETCQYMHSA-N -1 0 313.261 -0.428 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)c1cccnc1 ZINC001177793329 833482213 /nfs/dbraw/zinc/48/22/13/833482213.db2.gz KUPJTBDPSIZJQW-WEDXCCLWSA-N -1 0 313.335 -0.297 20 0 DBADRM COC[C@H](NC(=O)c1cnn2ccc(C)nc12)c1nnn[n-]1 ZINC001177827138 833482657 /nfs/dbraw/zinc/48/26/57/833482657.db2.gz DDLRRBHLEIMLSH-VIFPVBQESA-N -1 0 302.298 -0.332 20 0 DBADRM Cc1cc(CC(=O)NC(=N)SCCS(=O)(=O)[O-])nn1C ZINC001177892331 833485601 /nfs/dbraw/zinc/48/56/01/833485601.db2.gz LXGFMMFLGWTTEQ-UHFFFAOYSA-N -1 0 320.396 -0.057 20 0 DBADRM O=C(Cc1cn(Cc2ccccc2)nn1)N[C@@H]1CO[N-]C1=O ZINC001178324969 833501771 /nfs/dbraw/zinc/50/17/71/833501771.db2.gz YTBAGGBNDDZAQE-GFCCVEGCSA-N -1 0 301.306 -0.585 20 0 DBADRM O=C([O-])CN1CCCn2nc(C(=O)N3CC=CC3)cc2C1=O ZINC001178366034 833503266 /nfs/dbraw/zinc/50/32/66/833503266.db2.gz NVKMBWJLLZATLF-UHFFFAOYSA-N -1 0 304.306 -0.174 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)NC2C(=O)N=CN=C2[O-])CC1 ZINC001178764463 833523613 /nfs/dbraw/zinc/52/36/13/833523613.db2.gz TUIPJCRKLWHVAA-UHFFFAOYSA-N -1 0 316.339 -0.502 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@H]1CC(c2cnn(C)c2)=NO1 ZINC001179177141 833538321 /nfs/dbraw/zinc/53/83/21/833538321.db2.gz QOWWPLNJEBAKEK-LLVKDONJSA-N -1 0 310.310 -0.086 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2C(=O)NCc1nnn[n-]1 ZINC001179305108 833542668 /nfs/dbraw/zinc/54/26/68/833542668.db2.gz HKCTXOGEFAXWEO-DIYOJNKTSA-N -1 0 308.342 -0.071 20 0 DBADRM CS(=O)(=O)c1cccc(CC(=O)NCS(=O)(=O)[O-])c1 ZINC001180007843 833566428 /nfs/dbraw/zinc/56/64/28/833566428.db2.gz LTZFDEQPXSRYRI-UHFFFAOYSA-N -1 0 307.349 -0.406 20 0 DBADRM O=C(CCC(=O)N1CCc2ccccc21)N[C@@H]1CO[N-]C1=O ZINC001180028034 833567479 /nfs/dbraw/zinc/56/74/79/833567479.db2.gz PWPWFMMPNIXBIR-LLVKDONJSA-N -1 0 303.318 -0.098 20 0 DBADRM CS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CO[N-]C2=O)cc1 ZINC001180071203 833568326 /nfs/dbraw/zinc/56/83/26/833568326.db2.gz WQZBVPKNJVXFEF-LLVKDONJSA-N -1 0 312.347 -0.431 20 0 DBADRM Nc1n[nH]c(CC(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)n1 ZINC001180248832 833575665 /nfs/dbraw/zinc/57/56/65/833575665.db2.gz ZGJRZZUMVKMXIR-UHFFFAOYSA-N -1 0 322.306 -1.000 20 0 DBADRM CC(C)[NH+]1CCN(CC(=O)NCCOP(=O)([O-])[O-])CC1 ZINC001180350610 833581661 /nfs/dbraw/zinc/58/16/61/833581661.db2.gz AEBUZZNKJKUBBA-UHFFFAOYSA-N -1 0 309.303 -0.762 20 0 DBADRM C[C@@](O)(C(=O)NC(=N)SCCS(=O)(=O)[O-])C(F)(F)F ZINC001180490781 833586564 /nfs/dbraw/zinc/58/65/64/833586564.db2.gz DZISKOGIWCTRHU-ZCFIWIBFSA-N -1 0 324.302 -0.028 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2[C@@H]1C(=O)N[C@@H]1CO[N-]C1=O ZINC001180992376 833613218 /nfs/dbraw/zinc/61/32/18/833613218.db2.gz GNZJEDXCEANSNK-ZYUZMQFOSA-N -1 0 311.338 -0.212 20 0 DBADRM CC(C)(C)OC(=O)NC1(C(=O)NCS(=O)(=O)[O-])COC1 ZINC001181516490 833633854 /nfs/dbraw/zinc/63/38/54/833633854.db2.gz KMTLKABPKSUMHY-UHFFFAOYSA-N -1 0 310.328 -0.758 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)C1CC2(C1)OCCO2 ZINC001181513091 833633972 /nfs/dbraw/zinc/63/39/72/833633972.db2.gz ITIGKDJIVPFAIA-VIFPVBQESA-N -1 0 301.295 -0.338 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1ccc(=O)[nH]n1 ZINC001181706217 833641339 /nfs/dbraw/zinc/64/13/39/833641339.db2.gz RQWFWHBAEUAQAZ-MRVPVSSYSA-N -1 0 320.286 -0.026 20 0 DBADRM N=C(NC(=O)c1ccc(=O)[nH]n1)SCCS(=O)(=O)[O-] ZINC001181736762 833642459 /nfs/dbraw/zinc/64/24/59/833642459.db2.gz DZIAMGLVYMNYET-UHFFFAOYSA-N -1 0 306.325 -0.075 20 0 DBADRM C[C@@H](C(=O)NCc1nnn[n-]1)N(c1ccccc1)S(C)(=O)=O ZINC001182101829 833656854 /nfs/dbraw/zinc/65/68/54/833656854.db2.gz WFYSVVAZRVLMGQ-VIFPVBQESA-N -1 0 324.366 -0.329 20 0 DBADRM CCOC(=O)c1cc(NC(=O)CC2CC(=O)NC(=O)C2)[nH]n1 ZINC001182162020 833661847 /nfs/dbraw/zinc/66/18/47/833661847.db2.gz SLOXXFIXXIDAMH-UHFFFAOYSA-N -1 0 308.294 -0.032 20 0 DBADRM CC(=O)O[C@H]1CO[C@H](C(=O)N=c2ncnc3[nH][nH]cc2-3)S1 ZINC001182206238 833664934 /nfs/dbraw/zinc/66/49/34/833664934.db2.gz KMVCEGORFGPIEY-HQJQHLMTSA-N -1 0 309.307 -0.356 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@H]2C[C@@H]2C(F)(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001182321100 833669180 /nfs/dbraw/zinc/66/91/80/833669180.db2.gz LLUIWAKPELWUCX-BXKVDMCESA-N -1 0 316.257 -0.297 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001182633617 833685161 /nfs/dbraw/zinc/68/51/61/833685161.db2.gz OHYVXSKHRKZBIX-LURJTMIESA-N -1 0 301.303 -0.988 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)Cc1cn2cccnc2n1 ZINC001182748730 833688526 /nfs/dbraw/zinc/68/85/26/833688526.db2.gz RULKBYNTITZUNN-JTQLQIEISA-N -1 0 320.305 -0.206 20 0 DBADRM C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[N-]C#N)=C([C@H]3CCCO3)S[C@H]12 ZINC001183462439 833717776 /nfs/dbraw/zinc/71/77/76/833717776.db2.gz WZKAFURUAUAEAN-DDBMDHPHSA-N -1 0 309.347 -0.114 20 0 DBADRM C[C@@]1(O)C=C[C@@H](O)C(C(=O)NCCCC[P@@](=O)([O-])O)=C1 ZINC001183544054 833721990 /nfs/dbraw/zinc/72/19/90/833721990.db2.gz KERSCOOHMRAYPW-ZYHUDNBSSA-N -1 0 305.267 -0.331 20 0 DBADRM C[C@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)C(=O)N1S(=O)(=O)[O-] ZINC001183558940 833722647 /nfs/dbraw/zinc/72/26/47/833722647.db2.gz SFLDGURCCAOAFQ-IUCAKERBSA-N -1 0 317.367 -0.867 20 0 DBADRM O=C([O-])COc1ccc(OCC(=O)NC[C@H]2CCC(=O)N2)cc1 ZINC001183909908 833741312 /nfs/dbraw/zinc/74/13/12/833741312.db2.gz LFRMQUJGTNIORS-SNVBAGLBSA-N -1 0 322.317 -0.076 20 0 DBADRM Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2CO)cc1C(=O)[O-] ZINC001184717528 833767941 /nfs/dbraw/zinc/76/79/41/833767941.db2.gz NEWPKXQZPAXLAL-NXEZZACHSA-N -1 0 315.347 -0.191 20 0 DBADRM CSc1ncc([O-])c(C(=O)N2CC(NS(C)(=O)=O)C2)n1 ZINC001185176165 833782162 /nfs/dbraw/zinc/78/21/62/833782162.db2.gz FUPBPKBDMKTSDB-UHFFFAOYSA-N -1 0 318.380 -0.722 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)C[C@H](O)CO ZINC001185887508 833814762 /nfs/dbraw/zinc/81/47/62/833814762.db2.gz JGZDHPASUTUCCG-JTQLQIEISA-N -1 0 303.336 -0.333 20 0 DBADRM O=C(CN1CC[C@H](O)C1)Nc1nc[n-]c(=O)c1Br ZINC001186035135 833822953 /nfs/dbraw/zinc/82/29/53/833822953.db2.gz GWQVTRPGTVELLI-LURJTMIESA-N -1 0 317.143 -0.050 20 0 DBADRM CN(C)C(=O)c1nc(C[N-]S(=O)(=O)c2ccco2)no1 ZINC001186867311 833882540 /nfs/dbraw/zinc/88/25/40/833882540.db2.gz KVZFSSRGMCGXKN-UHFFFAOYSA-N -1 0 300.296 -0.157 20 0 DBADRM CC(=O)N(C)CC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001186924830 833885858 /nfs/dbraw/zinc/88/58/58/833885858.db2.gz LDNVUXRPXVYPMQ-WDEREUQCSA-N -1 0 322.369 -0.979 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCc1nnn[n-]1 ZINC001186935125 833888219 /nfs/dbraw/zinc/88/82/19/833888219.db2.gz ONENQDNOKOQDRO-JGVFFNPUSA-N -1 0 312.330 -0.644 20 0 DBADRM O=C1Cc2cc(S(=O)(=O)NCS(=O)(=O)[O-])ccc2N1 ZINC001186954627 833890223 /nfs/dbraw/zinc/89/02/23/833890223.db2.gz ZPTAKFVTHUJJLV-UHFFFAOYSA-N -1 0 306.321 -0.695 20 0 DBADRM O=C(COCC1CC1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001187002591 833893228 /nfs/dbraw/zinc/89/32/28/833893228.db2.gz RDAUGBRNZFROSM-NWDGAFQWSA-N -1 0 321.381 -0.030 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](C)N1CCOCC1 ZINC001187170989 833905959 /nfs/dbraw/zinc/90/59/59/833905959.db2.gz DPDBXXYFRUERJJ-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM CO[C@@H](C)CC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001187208362 833909988 /nfs/dbraw/zinc/90/99/88/833909988.db2.gz GAOAPVIIPAAWGQ-GARJFASQSA-N -1 0 309.370 -0.032 20 0 DBADRM CO[C@H](C)CC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001187208363 833910066 /nfs/dbraw/zinc/91/00/66/833910066.db2.gz GAOAPVIIPAAWGQ-OUAUKWLOSA-N -1 0 309.370 -0.032 20 0 DBADRM Cc1c(C(=O)N[C@@H]2CO[N-]C2=O)cccc1N1CCOCC1 ZINC001187481058 833927363 /nfs/dbraw/zinc/92/73/63/833927363.db2.gz BHRNSBRTHKAYJI-GFCCVEGCSA-N -1 0 305.334 -0.009 20 0 DBADRM C[C@@H]1C[C@H]1CN1CCc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001277135252 833928243 /nfs/dbraw/zinc/92/82/43/833928243.db2.gz XTGJUKDHAULBLU-BDAKNGLRSA-N -1 0 316.369 -0.379 20 0 DBADRM CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001187531768 833933870 /nfs/dbraw/zinc/93/38/70/833933870.db2.gz ZHQKUTAGXXXKKS-WDEREUQCSA-N -1 0 321.381 -0.294 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(CC(F)(F)F)C2 ZINC001277244907 833936393 /nfs/dbraw/zinc/93/63/93/833936393.db2.gz YPLZWMAXCRNCRK-UHFFFAOYSA-N -1 0 316.247 -0.515 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1nnc2n1CCN(CC1CCC1)C2 ZINC001277297112 833940805 /nfs/dbraw/zinc/94/08/05/833940805.db2.gz JWXCMHFJGJWYQX-UHFFFAOYSA-N -1 0 317.357 -0.909 20 0 DBADRM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)c1cnccn1 ZINC001187787069 833948854 /nfs/dbraw/zinc/94/88/54/833948854.db2.gz JRDYFYUCXNNXBC-JTQLQIEISA-N -1 0 311.323 -0.218 20 0 DBADRM CN(C)S(=O)(=O)c1cccc(C(=O)NCS(=O)(=O)[O-])c1 ZINC001187948552 833960687 /nfs/dbraw/zinc/96/06/87/833960687.db2.gz KCBWLEXESSFAGP-UHFFFAOYSA-N -1 0 322.364 -0.488 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1c(OC)ncnc1OC ZINC001188352659 833977637 /nfs/dbraw/zinc/97/76/37/833977637.db2.gz KQJJUGDMDMEOJT-UHFFFAOYSA-N -1 0 305.312 -0.201 20 0 DBADRM COCCCN1CCc2cc(C(=O)N=c3nn[n-]n3C)[nH]c2C1 ZINC001277697111 833984554 /nfs/dbraw/zinc/98/45/54/833984554.db2.gz NRIOOFFSTIZTQQ-UHFFFAOYSA-N -1 0 319.369 -0.393 20 0 DBADRM CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccncc1[O-] ZINC001188629437 833996666 /nfs/dbraw/zinc/99/66/66/833996666.db2.gz JXLUDOMDVQNIKY-SNVBAGLBSA-N -1 0 307.306 -0.319 20 0 DBADRM CCC(=O)NCC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001189410826 834076847 /nfs/dbraw/zinc/07/68/47/834076847.db2.gz SNWZPVNBEYWNPZ-SECBINFHSA-N -1 0 310.358 -0.931 20 0 DBADRM O=C(c1ccccc1S(=O)(=O)[O-])N1CCS(=O)(=O)CC1 ZINC001189682959 834105490 /nfs/dbraw/zinc/10/54/90/834105490.db2.gz PMOZQNGLBZOQJH-UHFFFAOYSA-N -1 0 319.360 -0.196 20 0 DBADRM COC(=O)[C@H](Cc1ccccc1)NC(=O)N=c1nn[n-]n1C ZINC001189793508 834113881 /nfs/dbraw/zinc/11/38/81/834113881.db2.gz LXKADEDGCRYWDC-JTQLQIEISA-N -1 0 304.310 -0.462 20 0 DBADRM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ncc(F)cc1F)[C@@H](C)O ZINC001190197203 834146629 /nfs/dbraw/zinc/14/66/29/834146629.db2.gz VEGMVEMNSRRJLT-MUWHJKNJSA-N -1 0 324.305 -0.049 20 0 DBADRM COC(=O)C([N-]S(=O)(=O)c1ncc(F)cc1F)=C(C)O ZINC001190207420 834146775 /nfs/dbraw/zinc/14/67/75/834146775.db2.gz NKGPDTYZLQWKTQ-QMMMGPOBSA-N -1 0 308.262 -0.231 20 0 DBADRM Cn1c([N-]S(=O)(=O)c2ncc(F)cc2F)cc(=O)[nH]c1=O ZINC001190207336 834146981 /nfs/dbraw/zinc/14/69/81/834146981.db2.gz KKRUCNRHEBJRPR-UHFFFAOYSA-N -1 0 318.261 -0.040 20 0 DBADRM COC(=O)C1(CNS(=O)(=O)c2ncc[n-]2)CCOCC1 ZINC001190683269 834179040 /nfs/dbraw/zinc/17/90/40/834179040.db2.gz LOPUESWCUQVPQW-UHFFFAOYSA-N -1 0 303.340 -0.342 20 0 DBADRM CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2S(=O)(=O)c2ncc[n-]2)O1 ZINC001190698721 834181482 /nfs/dbraw/zinc/18/14/82/834181482.db2.gz MZKDDRFJRLKKNA-BBBLOLIVSA-N -1 0 314.367 -0.582 20 0 DBADRM CCOC(=O)[C@H]1CN(S(=O)(=O)c2ncc[n-]2)CCC1=O ZINC001190698620 834181507 /nfs/dbraw/zinc/18/15/07/834181507.db2.gz MRFKZTVWWHOQGD-QMMMGPOBSA-N -1 0 301.324 -0.448 20 0 DBADRM CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CCN2S(=O)(=O)c2ncc[n-]2)O1 ZINC001190698725 834181940 /nfs/dbraw/zinc/18/19/40/834181940.db2.gz MZKDDRFJRLKKNA-OPRDCNLKSA-N -1 0 314.367 -0.582 20 0 DBADRM COC(=O)CC(CC(=O)OC)NS(=O)(=O)c1ncc[n-]1 ZINC001190747956 834187421 /nfs/dbraw/zinc/18/74/21/834187421.db2.gz PBQXMNMZQFCRFZ-UHFFFAOYSA-N -1 0 305.312 -0.817 20 0 DBADRM O=S(=O)(NCc1ccc(N2CCOCC2)nn1)c1ncc[n-]1 ZINC001190748211 834187615 /nfs/dbraw/zinc/18/76/15/834187615.db2.gz XFZNKCWOSGWKEJ-UHFFFAOYSA-N -1 0 324.366 -0.485 20 0 DBADRM CCOC(=O)C1(NS(=O)(=O)c2ncc[n-]2)CCN(C)CC1 ZINC001190747988 834187820 /nfs/dbraw/zinc/18/78/20/834187820.db2.gz RDQCWCDRWDKASG-UHFFFAOYSA-N -1 0 316.383 -0.285 20 0 DBADRM O=C(c1cccnc1)N1CC[C@@H](NS(=O)(=O)c2ncc[n-]2)C1 ZINC001190755779 834187830 /nfs/dbraw/zinc/18/78/30/834187830.db2.gz FPCCYLBCBUWODY-LLVKDONJSA-N -1 0 321.362 -0.002 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cnc(-c2ncccn2)nc1 ZINC001190901403 834202988 /nfs/dbraw/zinc/20/29/88/834202988.db2.gz NQCREAMXNYZRED-LLVKDONJSA-N -1 0 316.302 -0.028 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC(=O)C2)c([O-])cc1Cl ZINC001191024233 834215227 /nfs/dbraw/zinc/21/52/27/834215227.db2.gz BIFLVYBIPUWPHR-UHFFFAOYSA-N -1 0 304.711 -0.282 20 0 DBADRM CNOCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001191046864 834216774 /nfs/dbraw/zinc/21/67/74/834216774.db2.gz ZJWFWPYDFYTFMQ-UHFFFAOYSA-N -1 0 323.758 -0.426 20 0 DBADRM COc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)c(OC)nc1OC ZINC001191304851 834240235 /nfs/dbraw/zinc/24/02/35/834240235.db2.gz CBPYCXAXFHEPSN-UHFFFAOYSA-N -1 0 309.282 -0.139 20 0 DBADRM Cc1ncnc(C)c1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001191324881 834242361 /nfs/dbraw/zinc/24/23/61/834242361.db2.gz RCUQAPSXKHORNZ-CBAPKCEASA-N -1 0 314.323 -0.775 20 0 DBADRM CCCSCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191369574 834246183 /nfs/dbraw/zinc/24/61/83/834246183.db2.gz QANLSAHFWZYLCK-RKDXNWHRSA-N -1 0 315.399 -0.685 20 0 DBADRM N=C(NC(=O)c1ncc[nH]c1=O)SCCS(=O)(=O)[O-] ZINC001191517981 834260688 /nfs/dbraw/zinc/26/06/88/834260688.db2.gz JGZLLRJCZQVJBH-UHFFFAOYSA-N -1 0 306.325 -0.945 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1cn[nH]c(=O)c1 ZINC001191578186 834268211 /nfs/dbraw/zinc/26/82/11/834268211.db2.gz UNDBUDSCALCBSG-UHFFFAOYSA-N -1 0 320.286 -0.133 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192044186 834320223 /nfs/dbraw/zinc/32/02/23/834320223.db2.gz MNWSIZROTPFDMQ-GSVOUGTGSA-N -1 0 300.547 -0.233 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc(=O)[nH]1 ZINC001192239091 834344776 /nfs/dbraw/zinc/34/47/76/834344776.db2.gz DMDFQOULIXDLJT-RCOVLWMOSA-N -1 0 315.307 -0.772 20 0 DBADRM O=P([O-])([O-])OCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238515372 834356832 /nfs/dbraw/zinc/35/68/32/834356832.db2.gz GVKDPXWVGMNEGD-UHFFFAOYSA-N -1 0 302.289 -0.985 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC(CCO)CCO)ccc1O ZINC001238732155 834363858 /nfs/dbraw/zinc/36/38/58/834363858.db2.gz BYRVSJLXISWUGU-UHFFFAOYSA-N -1 0 319.335 -0.498 20 0 DBADRM CCOC(=O)[C@H](N)CNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001238840660 834368466 /nfs/dbraw/zinc/36/84/66/834368466.db2.gz SKJJDNKTXHRSCZ-SECBINFHSA-N -1 0 316.335 -0.447 20 0 DBADRM COC(=O)c1ccc([O-])c(C(=O)N2CC[C@H](CO)[C@H](O)C2)c1 ZINC001192390625 834369367 /nfs/dbraw/zinc/36/93/67/834369367.db2.gz WGRUULBSIKACMX-ZWNOBZJWSA-N -1 0 309.318 -0.006 20 0 DBADRM COC(=O)c1ccc([O-])c(C(=O)N2CCO[C@H](C(N)=O)C2)c1 ZINC001192388776 834369525 /nfs/dbraw/zinc/36/95/25/834369525.db2.gz XOUWZMTZPNBCIO-NSHDSACASA-N -1 0 308.290 -0.495 20 0 DBADRM COC(=O)c1ccc([O-])c(C(=O)n2cc(N)c(=O)nc2N)c1 ZINC001192399708 834370325 /nfs/dbraw/zinc/37/03/25/834370325.db2.gz FSVUBFAQNNNNBZ-UHFFFAOYSA-N -1 0 304.262 -0.169 20 0 DBADRM COC(=O)c1ccc([O-])c(C(=O)NC2CN(C3COC3)C2)c1 ZINC001192400124 834370595 /nfs/dbraw/zinc/37/05/95/834370595.db2.gz ONOGELYAOAETGA-UHFFFAOYSA-N -1 0 306.318 -0.008 20 0 DBADRM COC(=O)c1ccc([O-])c(C(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC001192397574 834371511 /nfs/dbraw/zinc/37/15/11/834371511.db2.gz UYMOATDKVDOYKP-SECBINFHSA-N -1 0 306.274 -0.286 20 0 DBADRM Cn1[n-]nnc1=NC(=O)Nc1ccc(N2C(=O)C=CC2=O)cc1 ZINC001192554859 834396993 /nfs/dbraw/zinc/39/69/93/834396993.db2.gz KPXFNKWAACIWAV-UHFFFAOYSA-N -1 0 313.277 -0.295 20 0 DBADRM NC(=O)[C@H]1CCCN1c1cc(-c2cnn(CC(=O)[O-])c2)ncn1 ZINC001242183105 834402257 /nfs/dbraw/zinc/40/22/57/834402257.db2.gz GIZMPTNCGDQDAS-LLVKDONJSA-N -1 0 316.321 -0.121 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)NCC2(O)CC2)cc1 ZINC001192678265 834409852 /nfs/dbraw/zinc/40/98/52/834409852.db2.gz UNTPNCZHZJWTCR-UHFFFAOYSA-N -1 0 301.320 -0.047 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N[C@H]2COC(=O)C2)cc1 ZINC001192739858 834415926 /nfs/dbraw/zinc/41/59/26/834415926.db2.gz BPFJWTPVHFBJKF-MRVPVSSYSA-N -1 0 315.303 -0.256 20 0 DBADRM CC(=O)OCCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192756054 834417345 /nfs/dbraw/zinc/41/73/45/834417345.db2.gz JUVCZHBDWXQJIU-UHFFFAOYSA-N -1 0 317.319 -0.009 20 0 DBADRM CC(C)(C)OC(=O)Nc1cn[nH]c1C(=O)N[C@@H]1CO[N-]C1=O ZINC001193001728 834451862 /nfs/dbraw/zinc/45/18/62/834451862.db2.gz LOCHECKBJRRXEA-SSDOTTSWSA-N -1 0 311.298 -0.084 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1nnn(-c2ccccc2Cl)n1 ZINC001193052440 834458046 /nfs/dbraw/zinc/45/80/46/834458046.db2.gz BTKFAMHTVUBEQZ-SSDOTTSWSA-N -1 0 308.685 -0.525 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-][C@@]1(C(=O)OC)CCOC1 ZINC001193095450 834461723 /nfs/dbraw/zinc/46/17/23/834461723.db2.gz WNXSEIJRSVRZGY-LBPRGKRZSA-N -1 0 323.367 -0.420 20 0 DBADRM C[C@@H](O)Cn1cnc2c1ncnc2[N-]S(=O)(=O)N(C)C ZINC001251055698 834493032 /nfs/dbraw/zinc/49/30/32/834493032.db2.gz HFQVTEGZKZBDRU-SSDOTTSWSA-N -1 0 300.344 -0.575 20 0 DBADRM COC(=O)c1cnc([N-]S(=O)(=O)N(C)C)c(C(=O)OC)c1 ZINC001251061694 834493307 /nfs/dbraw/zinc/49/33/07/834493307.db2.gz CCKNXVZYMOANHT-UHFFFAOYSA-N -1 0 317.323 -0.127 20 0 DBADRM CO[N-]C(=O)CNC(=O)N(C)Cc1nnc2n1CCCCC2 ZINC001251348947 834497714 /nfs/dbraw/zinc/49/77/14/834497714.db2.gz AJNKFVYJLMYBTN-UHFFFAOYSA-N -1 0 310.358 -0.177 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCC(=O)NCc1ccccc1 ZINC001251350492 834498075 /nfs/dbraw/zinc/49/80/75/834498075.db2.gz ZTXQKXBXNKFTGU-UHFFFAOYSA-N -1 0 308.338 -0.330 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC001251350062 834498205 /nfs/dbraw/zinc/49/82/05/834498205.db2.gz MCWZLSKDYNWPEF-SECBINFHSA-N -1 0 307.372 -0.870 20 0 DBADRM CCOC(=O)c1nc2n(n1)CCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001193466361 834498881 /nfs/dbraw/zinc/49/88/81/834498881.db2.gz VKTCTAQCSDTPTO-UHFFFAOYSA-N -1 0 306.282 -0.461 20 0 DBADRM O=C(NC1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1)N1CCOCC1 ZINC001193469980 834500480 /nfs/dbraw/zinc/50/04/80/834500480.db2.gz SMZNUFJJOXYQRX-UHFFFAOYSA-N -1 0 323.353 -0.238 20 0 DBADRM COCCOCCOCCOCCNC(=O)c1cc(=O)[nH][n-]1 ZINC001193475663 834501163 /nfs/dbraw/zinc/50/11/63/834501163.db2.gz LNTMLXIOXUSWEK-UHFFFAOYSA-N -1 0 317.342 -0.459 20 0 DBADRM Cn1ccnc1S(=O)(=O)[N-]c1ncnc2c1ncn2CCO ZINC001193557677 834507867 /nfs/dbraw/zinc/50/78/67/834507867.db2.gz SCSYUTSQTIIZKP-UHFFFAOYSA-N -1 0 323.338 -0.647 20 0 DBADRM COC(=O)c1nsnc1[N-]S(=O)(=O)c1nccn1C ZINC001193561816 834508445 /nfs/dbraw/zinc/50/84/45/834508445.db2.gz PSGAQYPQQZLHGG-UHFFFAOYSA-N -1 0 303.325 -0.141 20 0 DBADRM CN(CCO)c1cc([N-]S(=O)(=O)c2nccn2C)ncn1 ZINC001193557593 834508748 /nfs/dbraw/zinc/50/87/48/834508748.db2.gz QTNWZOIZEHDWCF-UHFFFAOYSA-N -1 0 312.355 -0.561 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ncccc1C(N)=O ZINC001193616361 834514103 /nfs/dbraw/zinc/51/41/03/834514103.db2.gz QYEJZPIVYICKBJ-QMMMGPOBSA-N -1 0 309.278 -0.683 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001252046116 834518828 /nfs/dbraw/zinc/51/88/28/834518828.db2.gz ZDMFQXFVSRNICB-FGWVZKOKSA-N -1 0 319.379 -0.289 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]([N-]S(=O)(=O)C(F)(F)F)C1 ZINC001252378074 834527722 /nfs/dbraw/zinc/52/77/22/834527722.db2.gz BNUZAPDVBPMQRP-LURJTMIESA-N -1 0 310.319 -0.150 20 0 DBADRM O=c1[n-]c(C[NH2+]C[C@H](O)COc2ccc(CCO)cc2)n[nH]1 ZINC001253162728 834562411 /nfs/dbraw/zinc/56/24/11/834562411.db2.gz KKVHFJCSIMQJHB-NSHDSACASA-N -1 0 308.338 -0.425 20 0 DBADRM Cn1[n-]c(C(=O)Nc2cc(S(N)(=O)=O)ccc2N)cc1=O ZINC001194200979 834576683 /nfs/dbraw/zinc/57/66/83/834576683.db2.gz HZDFQZXCCZDLET-UHFFFAOYSA-N -1 0 311.323 -0.392 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC[C@@H](O)C(=O)OC(C)(C)C ZINC001253699758 834577024 /nfs/dbraw/zinc/57/70/24/834577024.db2.gz HHLIPRNGIYZSSX-DTWKUNHWSA-N -1 0 305.327 -0.315 20 0 DBADRM COC(=O)C(Cc1cn(C(C)(C)CC(=O)[O-])nn1)C(=O)OC ZINC001254093799 834586559 /nfs/dbraw/zinc/58/65/59/834586559.db2.gz FMKCOLAWTQWEPT-UHFFFAOYSA-N -1 0 313.310 -0.007 20 0 DBADRM CCOC(=O)c1cn(CCOCCOCCC(=O)[O-])nn1 ZINC001254088433 834587165 /nfs/dbraw/zinc/58/71/65/834587165.db2.gz CQVMGUBIAOFJLJ-UHFFFAOYSA-N -1 0 301.299 -0.037 20 0 DBADRM CCOC(=O)CN1CCC([NH2+]CCOP(=O)([O-])[O-])CC1 ZINC001254395254 834597967 /nfs/dbraw/zinc/59/79/67/834597967.db2.gz IHMZNUQREBEPKM-UHFFFAOYSA-N -1 0 310.287 -0.287 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N1CCc2ncsc2C1 ZINC001255481829 834610293 /nfs/dbraw/zinc/61/02/93/834610293.db2.gz AQEJEFVQZWDYKU-UHFFFAOYSA-N -1 0 306.347 -0.032 20 0 DBADRM COc1cc(C(=O)NC(=N)SCCS(=O)(=O)[O-])n(C)n1 ZINC001194749715 834627999 /nfs/dbraw/zinc/62/79/99/834627999.db2.gz ZSQVOTIRXPVCKU-UHFFFAOYSA-N -1 0 322.368 -0.286 20 0 DBADRM Cn1[nH]cnc1=NC(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC001194951193 834645096 /nfs/dbraw/zinc/64/50/96/834645096.db2.gz YBTDPRFBWMSAHS-UHFFFAOYSA-N -1 0 313.314 0.000 20 0 DBADRM CS(=O)(=O)N1CCC([NH2+]CCCC[P@@](=O)([O-])O)CC1 ZINC001257228588 834646203 /nfs/dbraw/zinc/64/62/03/834646203.db2.gz RTDLZVBRFKLYOY-UHFFFAOYSA-N -1 0 314.344 -0.042 20 0 DBADRM CS(=O)(=O)N1CCC(n2[n-]c3ccnc(=O)c-3c2N)CC1 ZINC001257230974 834646627 /nfs/dbraw/zinc/64/66/27/834646627.db2.gz PKUJWXBGIVAOHB-UHFFFAOYSA-N -1 0 311.367 -0.145 20 0 DBADRM CC(C)N1C[C@H](NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)CC1=O ZINC001257797058 834664630 /nfs/dbraw/zinc/66/46/30/834664630.db2.gz KALFUGOOUWYCBJ-GHMZBOCLSA-N -1 0 313.354 -0.804 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)C(=O)[N-]OC[C@H]2CCOC2)CC1=O ZINC001257797060 834664641 /nfs/dbraw/zinc/66/46/41/834664641.db2.gz KALFUGOOUWYCBJ-QWRGUYRKSA-N -1 0 313.354 -0.804 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c(F)cc1F ZINC001195246033 834666581 /nfs/dbraw/zinc/66/65/81/834666581.db2.gz WNEHQBNZSOAWHY-RKDXNWHRSA-N -1 0 323.273 -0.299 20 0 DBADRM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N[C@H](CO)C(N)=O)C(=O)C2 ZINC001258975792 834688937 /nfs/dbraw/zinc/68/89/37/834688937.db2.gz CSOOSILCMQFWAZ-RWEMILLDSA-N -1 0 318.395 -0.853 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C(F)(F)F ZINC001259003088 834691427 /nfs/dbraw/zinc/69/14/27/834691427.db2.gz LNLZEONRLLBGRK-ZCFIWIBFSA-N -1 0 301.246 -0.198 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1c(Cl)nccc1C(N)=O ZINC001259018558 834692464 /nfs/dbraw/zinc/69/24/64/834692464.db2.gz BHOHXHJUSXXTRH-UHFFFAOYSA-N -1 0 307.715 -0.251 20 0 DBADRM CCOC(=O)c1cnc([N-]S(=O)(=O)CC(=O)OC)cn1 ZINC001259018028 834692764 /nfs/dbraw/zinc/69/27/64/834692764.db2.gz PNYBPLAOVLJLJH-UHFFFAOYSA-N -1 0 303.296 -0.432 20 0 DBADRM CCOC(=O)c1ncncc1[N-]S(=O)(=O)CC(=O)OC ZINC001259018901 834693190 /nfs/dbraw/zinc/69/31/90/834693190.db2.gz YMFMBXDTZVXQLU-UHFFFAOYSA-N -1 0 303.296 -0.432 20 0 DBADRM CCOC(=O)c1ncc([N-]S(=O)(=O)CC(=O)OC)cn1 ZINC001259020470 834693357 /nfs/dbraw/zinc/69/33/57/834693357.db2.gz VKCCAVYRAOWIPH-UHFFFAOYSA-N -1 0 303.296 -0.432 20 0 DBADRM CCOC(=O)c1cc([N-]S(=O)(=O)CC(=O)OC)ccn1 ZINC001259019003 834693481 /nfs/dbraw/zinc/69/34/81/834693481.db2.gz OSXQZKPZKPPYOE-UHFFFAOYSA-N -1 0 302.308 -0.405 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1ccc(OC)nc1C(=O)OC ZINC001259020407 834693493 /nfs/dbraw/zinc/69/34/93/834693493.db2.gz RTKSTFJTFGADLC-UHFFFAOYSA-N -1 0 318.307 -0.209 20 0 DBADRM COC(=O)CS(=O)(=O)[N-][C@@H](C(=O)OC)C1CCOCC1 ZINC001259029413 834696417 /nfs/dbraw/zinc/69/64/17/834696417.db2.gz RRNVHBWHKTZYSR-SNVBAGLBSA-N -1 0 309.340 -0.953 20 0 DBADRM CCOC(=O)C(=C[N-]S(=O)(=O)CC(=O)OC)C(=O)OCC ZINC001259028379 834696595 /nfs/dbraw/zinc/69/65/95/834696595.db2.gz ADURXVYWMGJUCT-UHFFFAOYSA-N -1 0 323.323 -0.911 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cccc2c1COC2=O ZINC001195565082 834700043 /nfs/dbraw/zinc/70/00/43/834700043.db2.gz HNJYKVDJGZQVDZ-UHFFFAOYSA-N -1 0 300.292 -0.687 20 0 DBADRM O=c1[nH]c2ccc(S(=O)(=O)NCC[P@](=O)([O-])O)cc2o1 ZINC001259386694 834704210 /nfs/dbraw/zinc/70/42/10/834704210.db2.gz CUVDQULDLNQFBD-UHFFFAOYSA-N -1 0 322.235 -0.011 20 0 DBADRM O=C1[N-]OC[C@H]1NS(=O)(=O)c1cccc(OC(F)F)c1 ZINC001259448132 834704372 /nfs/dbraw/zinc/70/43/72/834704372.db2.gz QMDRECCZLHBAFQ-MRVPVSSYSA-N -1 0 308.262 -0.004 20 0 DBADRM COC(=O)c1nsnc1[N-]S(=O)(=O)c1cnn(C)c1 ZINC001259821381 834707865 /nfs/dbraw/zinc/70/78/65/834707865.db2.gz WIKRLVGDHSEYAM-UHFFFAOYSA-N -1 0 303.325 -0.141 20 0 DBADRM Cn1cc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)F)cn1 ZINC001259829065 834708956 /nfs/dbraw/zinc/70/89/56/834708956.db2.gz MXBIWMOVWSPKNW-UHFFFAOYSA-N -1 0 300.262 -0.623 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]c2c(C)n(C)nc2C(N)=O)cn1 ZINC001259832395 834709902 /nfs/dbraw/zinc/70/99/02/834709902.db2.gz ABWQJIPQCXLRBJ-UHFFFAOYSA-N -1 0 312.355 -0.155 20 0 DBADRM Cn1ccc(S(=O)(=O)[N-]c2cnc(OC3COC3)nc2)n1 ZINC001259938732 834715852 /nfs/dbraw/zinc/71/58/52/834715852.db2.gz SKJSQLHREBMSAJ-UHFFFAOYSA-N -1 0 311.323 -0.212 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccn(C)n1)C(F)(F)F ZINC001259947182 834717039 /nfs/dbraw/zinc/71/70/39/834717039.db2.gz BCERKIXWDPAHLE-ZCFIWIBFSA-N -1 0 301.246 -0.198 20 0 DBADRM COCCS(=O)(=O)[N-]c1ncnc2c1ncn2C[C@@H](C)O ZINC001259966060 834717889 /nfs/dbraw/zinc/71/78/89/834717889.db2.gz GYXAJMSYYUROAG-MRVPVSSYSA-N -1 0 315.355 -0.405 20 0 DBADRM COCCS(=O)(=O)N[C@H]1Oc2ccc(CCO)cc2O1 ZINC001259977069 834720219 /nfs/dbraw/zinc/72/02/19/834720219.db2.gz YAWGOXRXNMRPEM-LBPRGKRZSA-N -1 0 303.336 -0.158 20 0 DBADRM CNC(=O)c1nccnc1[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC001260107174 834726010 /nfs/dbraw/zinc/72/60/10/834726010.db2.gz UZATZTOOFXVJLD-UHFFFAOYSA-N -1 0 324.366 -0.013 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1c(C(N)=O)cnn1C ZINC001260105049 834726353 /nfs/dbraw/zinc/72/63/53/834726353.db2.gz HTYMBNWKUKBIPD-UHFFFAOYSA-N -1 0 312.355 -0.330 20 0 DBADRM CCOC(=O)C[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260179267 834729859 /nfs/dbraw/zinc/72/98/59/834729859.db2.gz GBCXHAKQZFBEDR-UHFFFAOYSA-N -1 0 319.730 -0.381 20 0 DBADRM O=C(CCO)C[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260180338 834729928 /nfs/dbraw/zinc/72/99/28/834729928.db2.gz MTYDCBAOVYYQCG-UHFFFAOYSA-N -1 0 319.730 -0.993 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)NCCN2CC[C@@H](O)C2)c1 ZINC001260191674 834730295 /nfs/dbraw/zinc/73/02/95/834730295.db2.gz FSMNHZSMMFOMJN-LLVKDONJSA-N -1 0 314.363 -0.270 20 0 DBADRM O=S(=O)([N-][C@H]1C[C@H](O)C1)c1nc2nc(Cl)ccn2n1 ZINC001260178836 834730400 /nfs/dbraw/zinc/73/04/00/834730400.db2.gz ROLRHDGLVFHPLG-IZLXSQMJSA-N -1 0 303.731 -0.421 20 0 DBADRM COC(=O)CC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260179104 834730563 /nfs/dbraw/zinc/73/05/63/834730563.db2.gz BRAOEVNAYUNSNV-UHFFFAOYSA-N -1 0 319.730 -0.381 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)NC[C@H]2CNC(=O)O2)c1 ZINC001260220654 834731147 /nfs/dbraw/zinc/73/11/47/834731147.db2.gz FVQOAZACKRYBHH-SSDOTTSWSA-N -1 0 318.282 -0.089 20 0 DBADRM O=C1CO[C@H](C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)CN1 ZINC001260356421 834732315 /nfs/dbraw/zinc/73/23/15/834732315.db2.gz ZOQGCXSGFSZVGM-ZETCQYMHSA-N -1 0 324.280 -0.103 20 0 DBADRM O=C1CO[C@@H](C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)CN1 ZINC001260356420 834732360 /nfs/dbraw/zinc/73/23/60/834732360.db2.gz ZOQGCXSGFSZVGM-SSDOTTSWSA-N -1 0 324.280 -0.103 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2COC(=O)C2)ccc1O ZINC001260401300 834732422 /nfs/dbraw/zinc/73/24/22/834732422.db2.gz HVMOEYCESZISBR-ZCFIWIBFSA-N -1 0 301.276 -0.316 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H]3C[C@H]2C(=O)O3)ccc1O ZINC001260398217 834732430 /nfs/dbraw/zinc/73/24/30/834732430.db2.gz XBLWPMVBBPMNLA-RCOVLWMOSA-N -1 0 313.287 -0.221 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2COCC[C@@H]2O)ccc1O ZINC001260401357 834733648 /nfs/dbraw/zinc/73/36/48/834733648.db2.gz KFUPXZLCALXRQA-ONGXEEELSA-N -1 0 317.319 -0.482 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1cnc2c(c1)COCC2 ZINC001260582823 834736769 /nfs/dbraw/zinc/73/67/69/834736769.db2.gz CZEAQLQDOIRNKL-UHFFFAOYSA-N -1 0 306.365 -0.102 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cc(OC)nc(OC)n1 ZINC001195934174 834736712 /nfs/dbraw/zinc/73/67/12/834736712.db2.gz OAOIIJNWBJHEKC-UHFFFAOYSA-N -1 0 305.312 -0.201 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1ccnc2cccnc12 ZINC001260584085 834736822 /nfs/dbraw/zinc/73/68/22/834736822.db2.gz AXDKYDRGLGCHMM-UHFFFAOYSA-N -1 0 301.349 -0.205 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1cn[nH]c(=O)c1Cl ZINC001260584075 834736840 /nfs/dbraw/zinc/73/68/40/834736840.db2.gz AMKKSBYXCUYXSG-UHFFFAOYSA-N -1 0 301.733 -0.421 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cncc(C(=O)OC)n1 ZINC001195939300 834737413 /nfs/dbraw/zinc/73/74/13/834737413.db2.gz QPZGALASMHAICE-UHFFFAOYSA-N -1 0 303.296 -0.432 20 0 DBADRM CC(=O)Nc1cc([N-]S(=O)(=O)CS(C)(=O)=O)ncn1 ZINC001260584475 834737734 /nfs/dbraw/zinc/73/77/34/834737734.db2.gz IFINWYGCQWAMBL-UHFFFAOYSA-N -1 0 308.341 -0.821 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cnc(OCCOC)cn1 ZINC001195939427 834738447 /nfs/dbraw/zinc/73/84/47/834738447.db2.gz XWTOYTUNFREYNV-UHFFFAOYSA-N -1 0 319.339 -0.193 20 0 DBADRM COC(=O)c1c(O)cccc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260593067 834740579 /nfs/dbraw/zinc/74/05/79/834740579.db2.gz VRDPPYLHYQENOK-UHFFFAOYSA-N -1 0 323.348 -0.077 20 0 DBADRM COc1ccc(NS(=O)(=O)CS(C)(=O)=O)c(CO)c1 ZINC001260591811 834740640 /nfs/dbraw/zinc/74/06/40/834740640.db2.gz NBPHKPDPLHNTHQ-UHFFFAOYSA-N -1 0 309.365 -0.069 20 0 DBADRM Cc1cccc2c1[C@H](NS(=O)(=O)CS(C)(=O)=O)C(=O)N2 ZINC001260594235 834741773 /nfs/dbraw/zinc/74/17/73/834741773.db2.gz LLHHLJDZUXFIMT-JTQLQIEISA-N -1 0 318.376 -0.090 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccccn1 ZINC001195984469 834743338 /nfs/dbraw/zinc/74/33/38/834743338.db2.gz SBPPDRKPVLONIC-NSHDSACASA-N -1 0 316.335 -0.222 20 0 DBADRM Cn1ncc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)n1 ZINC001260612371 834744099 /nfs/dbraw/zinc/74/40/99/834744099.db2.gz RZCODWUPKWWOLC-UHFFFAOYSA-N -1 0 322.306 -0.030 20 0 DBADRM CCOC(=O)CC1([N-]S(=O)(=O)CC(=O)OCC)COC1 ZINC001195991323 834744486 /nfs/dbraw/zinc/74/44/86/834744486.db2.gz DTXBBNHJCHNQRN-UHFFFAOYSA-N -1 0 309.340 -0.809 20 0 DBADRM COC(CNS(=O)(=O)c1cnc(NC(C)=O)s1)OC ZINC001260709533 834745598 /nfs/dbraw/zinc/74/55/98/834745598.db2.gz LSLXESSAEFNASM-UHFFFAOYSA-N -1 0 309.369 -0.001 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NC[C@H]2CNC(=O)O2)s1 ZINC001260711817 834745674 /nfs/dbraw/zinc/74/56/74/834745674.db2.gz XKAVULWGUFOLPJ-ZCFIWIBFSA-N -1 0 320.352 -0.512 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NCCOC(C)=O)s1 ZINC001260711651 834745747 /nfs/dbraw/zinc/74/57/47/834745747.db2.gz PCBSMPGDBFBTIG-UHFFFAOYSA-N -1 0 307.353 -0.057 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NC[C@H]2CCC(=O)N2)s1 ZINC001260708187 834746145 /nfs/dbraw/zinc/74/61/45/834746145.db2.gz NHMFRUKAWWBSKL-SSDOTTSWSA-N -1 0 318.380 -0.342 20 0 DBADRM O=C1[N-]OC[C@H]1NS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261073441 834749840 /nfs/dbraw/zinc/74/98/40/834749840.db2.gz FZGICOBGAYBDJW-RXMQYKEDSA-N -1 0 318.698 -0.416 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001261083930 834751195 /nfs/dbraw/zinc/75/11/95/834751195.db2.gz UCQWUPVXXNFUHJ-GRYCIOLGSA-N -1 0 316.354 -0.619 20 0 DBADRM CC(C)(C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C(F)F ZINC001196068354 834754871 /nfs/dbraw/zinc/75/48/71/834754871.db2.gz PLVQOIRRGIGIPI-RNFRBKRXSA-N -1 0 319.312 -0.537 20 0 DBADRM O=C1[N-]OC[C@H]1NS(=O)(=O)c1ccc(Br)cn1 ZINC001196178599 834764203 /nfs/dbraw/zinc/76/42/03/834764203.db2.gz FPIVHOXSNSNNKA-ZCFIWIBFSA-N -1 0 322.140 -0.448 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCc1cn2c(n1)SCC2 ZINC001261191645 834766643 /nfs/dbraw/zinc/76/66/43/834766643.db2.gz MFLOVOPCZQCTOH-UHFFFAOYSA-N -1 0 314.367 -0.658 20 0 DBADRM N[C@@H]1NCN(C(=O)c2cc(Cl)c(F)cc2[O-])[C@H]2NCN[C@H]21 ZINC001196477743 834788243 /nfs/dbraw/zinc/78/82/43/834788243.db2.gz GBUINVSPAGUMDJ-HBNTYKKESA-N -1 0 315.736 -0.683 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC001261481021 834792193 /nfs/dbraw/zinc/79/21/93/834792193.db2.gz IOMAAYWXWKAAGN-YUMQZZPRSA-N -1 0 301.324 -0.098 20 0 DBADRM CSc1nnc(CNC(=O)C(=O)NCCCC(=O)[O-])s1 ZINC001261488455 834794091 /nfs/dbraw/zinc/79/40/91/834794091.db2.gz REGMAXSOSBVSGE-UHFFFAOYSA-N -1 0 318.380 -0.143 20 0 DBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)NC1(C(N)=O)CC1 ZINC001196729262 834800774 /nfs/dbraw/zinc/80/07/74/834800774.db2.gz KWELRWXDIOFMPU-UHFFFAOYSA-N -1 0 303.365 -0.133 20 0 DBADRM CN(C[C@H](O)CO)C(=O)c1sccc1[N-]S(C)(=O)=O ZINC001196723628 834801924 /nfs/dbraw/zinc/80/19/24/834801924.db2.gz SCGLJTPMYISPLO-ZETCQYMHSA-N -1 0 308.381 -0.455 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)COc1ccccc1 ZINC001261533339 834802095 /nfs/dbraw/zinc/80/20/95/834802095.db2.gz KLPZCITZWWRVKA-NSHDSACASA-N -1 0 323.349 -0.246 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)COc1ccccc1 ZINC001261533338 834802120 /nfs/dbraw/zinc/80/21/20/834802120.db2.gz KLPZCITZWWRVKA-LLVKDONJSA-N -1 0 323.349 -0.246 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCC(=O)OC(C)(C)C ZINC001261535121 834802228 /nfs/dbraw/zinc/80/22/28/834802228.db2.gz IDKXJGIRIJTQLV-UHFFFAOYSA-N -1 0 317.342 -0.982 20 0 DBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)N[C@H]1COCC[C@@H]1O ZINC001196739278 834802524 /nfs/dbraw/zinc/80/25/24/834802524.db2.gz LVNNHFKQFMEBNZ-IUCAKERBSA-N -1 0 320.392 -0.001 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCSCC[C@H]1C ZINC001261543472 834804741 /nfs/dbraw/zinc/80/47/41/834804741.db2.gz PBIZUNIAZKIPMN-SECBINFHSA-N -1 0 303.384 -0.476 20 0 DBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)NC[C@H]1CNC(=O)O1 ZINC001196741165 834805549 /nfs/dbraw/zinc/80/55/49/834805549.db2.gz RACYFUQJTQGCTQ-LURJTMIESA-N -1 0 319.364 -0.042 20 0 DBADRM Cc1nc2ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cn2n1 ZINC001261554806 834806726 /nfs/dbraw/zinc/80/67/26/834806726.db2.gz NRSZXMIOYROJPO-ZETCQYMHSA-N -1 0 305.294 -0.187 20 0 DBADRM COC(=O)CCCCS(=O)(=O)[N-]c1cnc(C(N)=O)cn1 ZINC001196922340 834818781 /nfs/dbraw/zinc/81/87/81/834818781.db2.gz IFEOVHCKCMMKEJ-UHFFFAOYSA-N -1 0 316.339 -0.340 20 0 DBADRM CC1(CCNC(=O)C(=O)Nc2cccnc2C(=O)[O-])OCCO1 ZINC001261630802 834820422 /nfs/dbraw/zinc/82/04/22/834820422.db2.gz YNSPNMVETYWXNE-UHFFFAOYSA-N -1 0 323.305 -0.012 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC001261632374 834821366 /nfs/dbraw/zinc/82/13/66/834821366.db2.gz YWEFNURJYPYXOL-SNVBAGLBSA-N -1 0 311.338 -0.952 20 0 DBADRM COC(=O)CCCCS(=O)(=O)NCC(=O)CCC(=O)[O-] ZINC001196976501 834822669 /nfs/dbraw/zinc/82/26/69/834822669.db2.gz BOZMWVFWGCHCQH-UHFFFAOYSA-N -1 0 309.340 -0.317 20 0 DBADRM COC(=O)CCCCS(=O)(=O)[N-]C1(C(=O)OC)COC1 ZINC001196976436 834823200 /nfs/dbraw/zinc/82/32/00/834823200.db2.gz XZJMDLSNLFJGCZ-UHFFFAOYSA-N -1 0 309.340 -0.809 20 0 DBADRM CC(C)(C)CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001197074829 834831992 /nfs/dbraw/zinc/83/19/92/834831992.db2.gz WVQJIMRYTBGQIK-NXEZZACHSA-N -1 0 311.386 -0.002 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)C1 ZINC001261771304 834846494 /nfs/dbraw/zinc/84/64/94/834846494.db2.gz RXEMCZJJFLYVSC-MRVPVSSYSA-N -1 0 311.260 -0.276 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001261771540 834847133 /nfs/dbraw/zinc/84/71/33/834847133.db2.gz AAYNZJVMXSFECW-LLVKDONJSA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001261992488 834892798 /nfs/dbraw/zinc/89/27/98/834892798.db2.gz VWGRIWHINTVACL-XZPDDHLCSA-N -1 0 310.350 -0.247 20 0 DBADRM O=C(NCCCc1c[nH][nH]c1=O)c1cnn(-c2ncccn2)c1 ZINC001197836565 834907870 /nfs/dbraw/zinc/90/78/70/834907870.db2.gz LEGZBHMUWDMVNP-SNVBAGLBSA-N -1 0 313.321 -0.096 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)c1cnn(-c2ncccn2)c1 ZINC001197837135 834909511 /nfs/dbraw/zinc/90/95/11/834909511.db2.gz YNIZRAWHQXIOGD-VIFPVBQESA-N -1 0 304.291 -0.299 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC001262283605 834927562 /nfs/dbraw/zinc/92/75/62/834927562.db2.gz REGMJLAIPLPLKZ-SCRDCRAPSA-N -1 0 317.345 -0.518 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1ccncc1N1CCOCC1 ZINC001198215734 834932537 /nfs/dbraw/zinc/93/25/37/834932537.db2.gz HHASWISLUWLRGF-GFCCVEGCSA-N -1 0 322.346 -0.043 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC(C)(c2ccccc2)C1 ZINC001262315133 834933203 /nfs/dbraw/zinc/93/32/03/834933203.db2.gz FOMSRHFSTNMECR-UHFFFAOYSA-N -1 0 305.334 -0.420 20 0 DBADRM CCS[C@@H]1CC[C@H](N(C)C(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001262316015 834933296 /nfs/dbraw/zinc/93/32/96/834933296.db2.gz WXHGNJUVLYQJDU-VHSXEESVSA-N -1 0 317.411 -0.087 20 0 DBADRM Cn1c2ccc(C(=O)N[C@@H]3SC(=O)[N-]C3=O)cc2n(C)c1=O ZINC001198512974 834951490 /nfs/dbraw/zinc/95/14/90/834951490.db2.gz VYIDMVSOUOCZQE-LLVKDONJSA-N -1 0 320.330 -0.084 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cnc(NCC2CCOCC2)nc1 ZINC001198682852 834960762 /nfs/dbraw/zinc/96/07/62/834960762.db2.gz VVHHXWZEXYQZIB-UHFFFAOYSA-N -1 0 318.341 -0.242 20 0 DBADRM COCCn1c(=O)cccc1C(=O)NCC(=O)CCC(=O)[O-] ZINC001198702682 834963516 /nfs/dbraw/zinc/96/35/16/834963516.db2.gz OREWXYJZMWWPCN-UHFFFAOYSA-N -1 0 310.306 -0.342 20 0 DBADRM NC(=O)[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198763339 834967448 /nfs/dbraw/zinc/96/74/48/834967448.db2.gz YKQLTVWQVOLCDL-CBAPKCEASA-N -1 0 316.310 -0.029 20 0 DBADRM COC(=O)C(NS(=O)(=O)c1ccccc1C(=O)[O-])=C(C)O ZINC001198802034 834969451 /nfs/dbraw/zinc/96/94/51/834969451.db2.gz RWLKIXYENOWFMH-JTQLQIEISA-N -1 0 315.303 -0.206 20 0 DBADRM CN1CCOC[C@H]1CNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198802350 834969562 /nfs/dbraw/zinc/96/95/62/834969562.db2.gz YGZUJWHQXGETPF-SNVBAGLBSA-N -1 0 314.363 -0.006 20 0 DBADRM CO[C@@H]1CC[C@@H]1N(C)C(=O)NCCOCCOCC(=O)[O-] ZINC001263071694 834970850 /nfs/dbraw/zinc/97/08/50/834970850.db2.gz IOJZBOQENBUOCI-WDEREUQCSA-N -1 0 304.343 -0.077 20 0 DBADRM COCCOc1cnc(C(=O)N[C@H]2SC(=O)[N-]C2=O)cn1 ZINC001199128957 834990406 /nfs/dbraw/zinc/99/04/06/834990406.db2.gz KMGACBRMGSFXHA-JTQLQIEISA-N -1 0 312.307 -0.459 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1cncc(OCC2CCOCC2)n1 ZINC001199165016 834995190 /nfs/dbraw/zinc/99/51/90/834995190.db2.gz ATJMSMAPHNOQFK-LLVKDONJSA-N -1 0 322.321 -0.558 20 0 DBADRM CCOC(=O)c1nnc(CNC(=O)c2ccc(O)c(=O)[nH]2)o1 ZINC001199200560 834998874 /nfs/dbraw/zinc/99/88/74/834998874.db2.gz YKFVZQBAEJKJPL-UHFFFAOYSA-N -1 0 308.250 -0.018 20 0 DBADRM COCCOc1ncc(C(=O)NCC(=O)CCC(=O)[O-])cn1 ZINC001199256613 835003997 /nfs/dbraw/zinc/00/39/97/835003997.db2.gz BPARPEJZWMZOLP-UHFFFAOYSA-N -1 0 311.294 -0.335 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1ncccc1N1CCOCC1 ZINC001199281603 835007008 /nfs/dbraw/zinc/00/70/08/835007008.db2.gz YDRQJUISKZQHQE-GFCCVEGCSA-N -1 0 322.346 -0.043 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1cnc(OC2CCOCC2)nc1 ZINC001199519935 835030526 /nfs/dbraw/zinc/03/05/26/835030526.db2.gz CLQJDTYJNBQWAE-SNVBAGLBSA-N -1 0 308.294 -0.806 20 0 DBADRM CC(C)c1oncc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001199747501 835050107 /nfs/dbraw/zinc/05/01/07/835050107.db2.gz BMVSHDAQJRTPFX-XPUUQOCRSA-N -1 0 317.323 -0.070 20 0 DBADRM O=C([O-])CCC(=O)CNC(=S)NCCCN1CCOCC1 ZINC001199960086 835076531 /nfs/dbraw/zinc/07/65/31/835076531.db2.gz ZKNCVEIAEBOXCC-UHFFFAOYSA-N -1 0 317.411 -0.393 20 0 DBADRM C[C@H]1[C@H](NC(=S)NC[C@@H]2CCCO2)C(=O)N1S(=O)(=O)[O-] ZINC001200034109 835085781 /nfs/dbraw/zinc/08/57/81/835085781.db2.gz CNTFEZWGHPQNDR-FXQIFTODSA-N -1 0 323.396 -0.968 20 0 DBADRM CCOC(=O)CCNC(=S)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001200180229 835103843 /nfs/dbraw/zinc/10/38/43/835103843.db2.gz OBNUFNTYUDVPSD-QMMMGPOBSA-N -1 0 320.367 -0.190 20 0 DBADRM COC(=O)c1ccc(CS(=O)(=O)NCS(=O)(=O)[O-])cc1 ZINC001201227798 835176549 /nfs/dbraw/zinc/17/65/49/835176549.db2.gz NEWQEAWEGSNJLK-UHFFFAOYSA-N -1 0 323.348 -0.262 20 0 DBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C1=CCSCC1 ZINC001201331291 835183872 /nfs/dbraw/zinc/18/38/72/835183872.db2.gz BPWQAAJMWBUIJT-UHFFFAOYSA-N -1 0 319.368 -0.314 20 0 DBADRM Cn1cnc2cc(C(=O)N[C@@H]3SC(=O)[N-]C3=O)ccc2c1=O ZINC001201344851 835185244 /nfs/dbraw/zinc/18/52/44/835185244.db2.gz LTKHSKREJAHAHI-LLVKDONJSA-N -1 0 318.314 -0.028 20 0 DBADRM NC(=O)CCCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001266353275 835291076 /nfs/dbraw/zinc/29/10/76/835291076.db2.gz RZSWTVRAVSGFID-VIFPVBQESA-N -1 0 310.358 -0.754 20 0 DBADRM CCOC(=O)CO[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001204709278 835325852 /nfs/dbraw/zinc/32/58/52/835325852.db2.gz XUMBUQYSDNOLLA-SNVBAGLBSA-N -1 0 311.356 -0.845 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OC[C@@H]1CCCO1 ZINC001205985229 835372629 /nfs/dbraw/zinc/37/26/29/835372629.db2.gz MXFPBKNRDFFSNX-RYUDHWBXSA-N -1 0 309.384 -0.229 20 0 DBADRM CCN(C)C(=O)CN1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001206874176 835421383 /nfs/dbraw/zinc/42/13/83/835421383.db2.gz HGLWVIMXUGTDPL-MWLCHTKSSA-N -1 0 323.397 -0.048 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001207078372 835456819 /nfs/dbraw/zinc/45/68/19/835456819.db2.gz JUDHOFDWDLUWOR-KXUCPTDWSA-N -1 0 324.385 -0.639 20 0 DBADRM CCNC(=O)CC(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001267326977 835487333 /nfs/dbraw/zinc/48/73/33/835487333.db2.gz WACVLPVAFDQCKH-UHFFFAOYSA-N -1 0 310.358 -0.883 20 0 DBADRM Cn1ccc(CCC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)n1 ZINC001268544424 835724095 /nfs/dbraw/zinc/72/40/95/835724095.db2.gz DSEJOSSJCVVYSW-NSCUHMNNSA-N -1 0 319.369 -0.361 20 0 DBADRM CC(C)(C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)c1c[nH]cn1 ZINC001268612457 835754417 /nfs/dbraw/zinc/75/44/17/835754417.db2.gz GMZITIPCMBGBNI-ONEGZZNKSA-N -1 0 319.369 -0.027 20 0 DBADRM Cc1cc(CNC/C=C/CNC(=O)Cn2c(=O)[n-][nH]c2=O)on1 ZINC001268619460 835755752 /nfs/dbraw/zinc/75/57/52/835755752.db2.gz RWBKODAYQBDSQL-NSCUHMNNSA-N -1 0 322.325 -0.552 20 0 DBADRM Cc1nnsc1C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001365710125 983493261 /nfs/dbraw/zinc/49/32/61/983493261.db2.gz IQLUMPDOFUTLDN-KRWDZBQOSA-N -1 0 313.430 -0.245 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)c1ccc(-n2cncn2)nc1 ZINC000321796653 970808426 /nfs/dbraw/zinc/80/84/26/970808426.db2.gz VRLXXGPJLOWFJF-NSHDSACASA-N -1 0 317.305 -0.022 20 0 DBADRM N#Cc1ccccc1OCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000321977675 970832455 /nfs/dbraw/zinc/83/24/55/970832455.db2.gz IVMWGDULEUDXMI-NSHDSACASA-N -1 0 317.301 -0.261 20 0 DBADRM CNC(=O)C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000322519843 970897652 /nfs/dbraw/zinc/89/76/52/970897652.db2.gz LMJIMDQEQPJRJN-ZETCQYMHSA-N -1 0 303.340 -0.474 20 0 DBADRM Cc1oc(C)c(S(=O)(=O)N[C@@H]2COC[C@H]2O)c1C(=O)[O-] ZINC000323113808 970967101 /nfs/dbraw/zinc/96/71/01/970967101.db2.gz YKNPCURFONXTFO-HTQZYQBOSA-N -1 0 305.308 -0.367 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCCN2CCOCC2)C1 ZINC001602218316 971175110 /nfs/dbraw/zinc/17/51/10/971175110.db2.gz JBDOOCFHXFVGJL-PHIMTYICSA-N -1 0 306.384 -0.509 20 0 DBADRM C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1O)n1cnc(-c2nnn[n-]2)n1 ZINC001573603615 947491358 /nfs/dbraw/zinc/49/13/58/947491358.db2.gz ILHRSSUBTZPXLU-OPRDCNLKSA-N -1 0 320.357 -0.219 20 0 DBADRM C[C@@H](C(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1)C1CC1 ZINC001573603786 947498054 /nfs/dbraw/zinc/49/80/54/947498054.db2.gz JUQTUARXPLSMDN-SECBINFHSA-N -1 0 316.369 -0.005 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCn2ccnc21)n1cnc(-c2nnn[n-]2)n1 ZINC001573673848 948114814 /nfs/dbraw/zinc/11/48/14/948114814.db2.gz LQSOEXGFLJIYGG-YUMQZZPRSA-N -1 0 314.313 -0.523 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000328435673 971473256 /nfs/dbraw/zinc/47/32/56/971473256.db2.gz VMILETCAFNVADI-QJPTWQEYSA-N -1 0 310.350 -0.319 20 0 DBADRM CC[C@@](COC)(NC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC000328488291 971480523 /nfs/dbraw/zinc/48/05/23/971480523.db2.gz MWLJHXNGZSPOER-ZDUSSCGKSA-N -1 0 315.326 -0.687 20 0 DBADRM COCCn1nc(C(=O)N[C@@](C)(COC)C(=O)[O-])ccc1=O ZINC000328502329 971485161 /nfs/dbraw/zinc/48/51/61/971485161.db2.gz VJZAXLBBVGPMFD-ZDUSSCGKSA-N -1 0 313.310 -0.891 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@H]1CC(=O)N(CCOC)C1)C(=O)[O-] ZINC000328525529 971490438 /nfs/dbraw/zinc/49/04/38/971490438.db2.gz JBEYOYQLUZNDCU-HZMBPMFUSA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001570918559 948574216 /nfs/dbraw/zinc/57/42/16/948574216.db2.gz HBNCJCZZVFGZRY-NXEZZACHSA-N -1 0 314.353 -0.039 20 0 DBADRM O=C(NC[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001570918995 948581592 /nfs/dbraw/zinc/58/15/92/948581592.db2.gz MZMRDWGRBFIPCT-CZMCAQCFSA-N -1 0 314.353 -0.205 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001570919130 948584050 /nfs/dbraw/zinc/58/40/50/948584050.db2.gz NVANSBDBUKHMSM-XKNYDFJKSA-N -1 0 314.353 -0.206 20 0 DBADRM C[C@H](C(=O)NN1C[C@H]2CCC[C@@H]2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573731802 948597093 /nfs/dbraw/zinc/59/70/93/948597093.db2.gz ZGAYYROMFWTMBF-OPRDCNLKSA-N -1 0 317.357 -0.218 20 0 DBADRM OC[C@H](Cc1ccc(O)cc1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001570920669 948604162 /nfs/dbraw/zinc/60/41/62/948604162.db2.gz YPMCAMLUSSNZHP-JTQLQIEISA-N -1 0 313.321 -0.200 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N(C)[C@H]1CCNC1=O ZINC001570920933 948610071 /nfs/dbraw/zinc/61/00/71/948610071.db2.gz HLVGEZJMAHGZEY-QMMMGPOBSA-N -1 0 317.309 -0.764 20 0 DBADRM CC(C)C(=O)N1CC[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001570921204 948615789 /nfs/dbraw/zinc/61/57/89/948615789.db2.gz QXTIZIFRIRCECA-SNVBAGLBSA-N -1 0 316.369 -0.005 20 0 DBADRM CC[C@](COC)(NC(=O)Cn1nc2ccccn2c1=O)C(=O)[O-] ZINC000328547687 971495315 /nfs/dbraw/zinc/49/53/15/971495315.db2.gz PEIACEOJJUUTRC-CQSZACIVSA-N -1 0 322.321 -0.508 20 0 DBADRM CC1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCC(=O)CC1 ZINC001570922142 948635362 /nfs/dbraw/zinc/63/53/62/948635362.db2.gz VUBOQHRCRLHFKA-UHFFFAOYSA-N -1 0 318.341 -0.276 20 0 DBADRM C[C@@H](CCO)CCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001570922322 948638959 /nfs/dbraw/zinc/63/89/59/948638959.db2.gz FTDBPSSRUXBOTH-SECBINFHSA-N -1 0 323.361 -0.834 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@]12CCC[C@H]1OCC2 ZINC001570922354 948639961 /nfs/dbraw/zinc/63/99/61/948639961.db2.gz YFWYIDKSAPGXBB-RNCFNFMXSA-N -1 0 318.341 -0.466 20 0 DBADRM CCc1nc(Sc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)n[nH]1 ZINC001570922590 948646105 /nfs/dbraw/zinc/64/61/05/948646105.db2.gz MNQHOSKCSUQSEB-UHFFFAOYSA-N -1 0 321.326 -0.915 20 0 DBADRM C[C@H]1C[C@H](NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CS1 ZINC001570922774 948647447 /nfs/dbraw/zinc/64/74/47/948647447.db2.gz NWXRRCHNZCVSGL-YUMQZZPRSA-N -1 0 323.386 -0.349 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CS1 ZINC001570922769 948647838 /nfs/dbraw/zinc/64/78/38/948647838.db2.gz NWXRRCHNZCVSGL-HTQZYQBOSA-N -1 0 323.386 -0.349 20 0 DBADRM CC[C@@H]1[C@@H](CO)CCN1C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001570923004 948652601 /nfs/dbraw/zinc/65/26/01/948652601.db2.gz RLYZKFHLMVVOER-OPRDCNLKSA-N -1 0 320.357 -0.361 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)s1)c1nnn[n-]1 ZINC001570923283 948658802 /nfs/dbraw/zinc/65/88/02/948658802.db2.gz XALXFWZJIZLSRU-RXMQYKEDSA-N -1 0 321.326 -0.441 20 0 DBADRM CN(CC(C)(C)CO)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001570923441 948662451 /nfs/dbraw/zinc/66/24/51/948662451.db2.gz YBISFFFOINQMLU-UHFFFAOYSA-N -1 0 323.361 -0.882 20 0 DBADRM CC(C)[C@H](F)C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001574079120 948764169 /nfs/dbraw/zinc/76/41/69/948764169.db2.gz ACSPLOATBMFVAP-VIFPVBQESA-N -1 0 308.321 -0.399 20 0 DBADRM CC[C@H](NC(=O)CNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000035409135 948811453 /nfs/dbraw/zinc/81/14/53/948811453.db2.gz WHHCKNKDVQYXLM-JTQLQIEISA-N -1 0 300.336 -0.056 20 0 DBADRM CC[C@H](NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)[C@H](C)O ZINC001589564615 948844564 /nfs/dbraw/zinc/84/45/64/948844564.db2.gz NFGFXJFQSDGVNB-GARJFASQSA-N -1 0 315.370 -0.089 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCCn2ccnc2)CC1 ZINC000041119915 948867371 /nfs/dbraw/zinc/86/73/71/948867371.db2.gz ISRPHPPYJPGVID-UHFFFAOYSA-N -1 0 302.356 -0.486 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589568043 948885297 /nfs/dbraw/zinc/88/52/97/948885297.db2.gz ITQYFEHGGUKRPK-WDEREUQCSA-N -1 0 313.354 -0.517 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000062935257 948967144 /nfs/dbraw/zinc/96/71/44/948967144.db2.gz JGEJBCBJCZENPK-CABZTGNLSA-N -1 0 304.368 -0.073 20 0 DBADRM CC[C@H](OC(=O)CN1CCC[C@H](C(=O)OC)C1=O)C(=O)[O-] ZINC001589579033 948996500 /nfs/dbraw/zinc/99/65/00/948996500.db2.gz VCIFDPAATXFYNS-IUCAKERBSA-N -1 0 301.295 -0.196 20 0 DBADRM C[C@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@@H](C(=O)[O-])O1 ZINC000347506843 971526321 /nfs/dbraw/zinc/52/63/21/971526321.db2.gz XONOLGYRAOSOER-CABZTGNLSA-N -1 0 322.317 -0.135 20 0 DBADRM Cc1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc1C(N)=O ZINC000090276739 949120877 /nfs/dbraw/zinc/12/08/77/949120877.db2.gz ZSGVYNYLGHDWLK-GFCCVEGCSA-N -1 0 316.335 -0.792 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)c1ncnn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001575251486 949140488 /nfs/dbraw/zinc/14/04/88/949140488.db2.gz NRZFKIFFTHWDMI-NKWVEPMBSA-N -1 0 317.317 -0.975 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)nc1 ZINC001595215426 949217949 /nfs/dbraw/zinc/21/79/49/949217949.db2.gz GDHVSZNOSRUCEC-AOOOYVTPSA-N -1 0 310.331 -0.104 20 0 DBADRM O=C(C[C@@H]1CCS(=O)(=O)C1)NC1(C(=O)[O-])CCOCC1 ZINC000131754787 949290980 /nfs/dbraw/zinc/29/09/80/949290980.db2.gz KXEKEAYZKKQNPM-VIFPVBQESA-N -1 0 305.352 -0.439 20 0 DBADRM CC[C@@]1(C2CC2)NC(=O)N(CN2CCO[C@H](C(=O)[O-])C2)C1=O ZINC001589610538 949315611 /nfs/dbraw/zinc/31/56/11/949315611.db2.gz IHZMSKQDCSYSEQ-HZMBPMFUSA-N -1 0 311.338 -0.160 20 0 DBADRM C[S@](=O)CCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000134159841 949332354 /nfs/dbraw/zinc/33/23/54/949332354.db2.gz GZKROHYGSZTJLT-GOSISDBHSA-N -1 0 312.413 -0.614 20 0 DBADRM CC1=NO[C@](C)(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001575863316 949344346 /nfs/dbraw/zinc/34/43/46/949344346.db2.gz BJPYIMWBVCATHV-NSHDSACASA-N -1 0 305.302 -0.871 20 0 DBADRM CC[C@@]1(CO)CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001589615047 949355343 /nfs/dbraw/zinc/35/53/43/949355343.db2.gz GHWBCGXKOOLYJQ-JRPNMDOOSA-N -1 0 312.366 -0.023 20 0 DBADRM CCC1(CO)CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001589615779 949368078 /nfs/dbraw/zinc/36/80/78/949368078.db2.gz VWCDOOYVVBRAMJ-LLVKDONJSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])c1ccc(NC[C@]23COCCN2C(=O)COC3)nc1 ZINC001595235677 949391430 /nfs/dbraw/zinc/39/14/30/949391430.db2.gz BJOGEBNBVFEKQQ-CQSZACIVSA-N -1 0 307.306 -0.181 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])[C@H](C)CO1 ZINC001589624728 949460372 /nfs/dbraw/zinc/46/03/72/949460372.db2.gz MNDWUDVCXUSKLK-NXEZZACHSA-N -1 0 302.327 -0.770 20 0 DBADRM CC[C@@H]1CN([C@@H]2CCN(CC(=O)[O-])C2=O)C[C@H](C)S1(=O)=O ZINC001589626496 949482886 /nfs/dbraw/zinc/48/28/86/949482886.db2.gz KWKBHGWUTRUTRW-HBNTYKKESA-N -1 0 318.395 -0.431 20 0 DBADRM CCC[C@@H](C(=O)N1CC[C@@](COC)(C(=O)[O-])C1)S(N)(=O)=O ZINC001589630504 949529111 /nfs/dbraw/zinc/52/91/11/949529111.db2.gz GLKVQAIQAJJRRG-JOYOIKCWSA-N -1 0 322.383 -0.607 20 0 DBADRM CCC[C@H](C(=O)NC1(CC(=O)[O-])CCOCC1)S(N)(=O)=O ZINC001589630714 949531207 /nfs/dbraw/zinc/53/12/07/949531207.db2.gz LOQWPEHBPFAJAZ-SECBINFHSA-N -1 0 322.383 -0.416 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574955138 949562556 /nfs/dbraw/zinc/56/25/56/949562556.db2.gz BIBJRRBGGAHNHM-OPRDCNLKSA-N -1 0 316.369 -0.101 20 0 DBADRM O=C([O-])c1ccccc1CC(=O)N(CCO)CCOCCO ZINC001595253971 949573803 /nfs/dbraw/zinc/57/38/03/949573803.db2.gz MLSLPESAWWHBGB-UHFFFAOYSA-N -1 0 311.334 -0.243 20 0 DBADRM CCC[C@]1(CO)CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC001589635673 949620995 /nfs/dbraw/zinc/62/09/95/949620995.db2.gz YKBGLVJSHKGRAG-NHYWBVRUSA-N -1 0 312.366 -0.069 20 0 DBADRM CC1(C(=O)N2CC[C@@H](Nc3ccnc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575548155 949660444 /nfs/dbraw/zinc/66/04/44/949660444.db2.gz RTJSRNIGRABWHQ-SECBINFHSA-N -1 0 314.353 -0.109 20 0 DBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC000230761548 949720749 /nfs/dbraw/zinc/72/07/49/949720749.db2.gz DOZJTYNIILXFMD-YUMQZZPRSA-N -1 0 322.364 -0.838 20 0 DBADRM CCCCCN(CC(N)=O)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589645918 949736157 /nfs/dbraw/zinc/73/61/57/949736157.db2.gz XDHLRNMWEMZSPJ-JTQLQIEISA-N -1 0 321.399 -0.242 20 0 DBADRM CCCCN(CCO)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589647642 949746378 /nfs/dbraw/zinc/74/63/78/949746378.db2.gz GMLVGQJVTQKLAF-NSHDSACASA-N -1 0 300.355 -0.069 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000231021626 949746975 /nfs/dbraw/zinc/74/69/75/949746975.db2.gz KILVQKRWKFJLPV-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)[O-] ZINC000379149736 971605501 /nfs/dbraw/zinc/60/55/01/971605501.db2.gz BKTZNSHFGDNACL-KCJUWKMLSA-N -1 0 309.274 -0.041 20 0 DBADRM Cc1noc(CCNS(=O)(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC000231881760 949757227 /nfs/dbraw/zinc/75/72/27/949757227.db2.gz UNDSBSPEQADZHB-UHFFFAOYSA-N -1 0 318.355 -0.448 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCN[C@@H](c3cn[nH]c3)C2)cn1 ZINC001595267485 949766850 /nfs/dbraw/zinc/76/68/50/949766850.db2.gz HGNJDXVVAPIGKG-LLVKDONJSA-N -1 0 302.294 -0.315 20 0 DBADRM O=C([O-])c1cnc(C(=O)N[C@@H]2Cc3cccnc3NC2=O)cn1 ZINC001595267456 949767512 /nfs/dbraw/zinc/76/75/12/949767512.db2.gz GRYQOTRIZGRIOW-MRVPVSSYSA-N -1 0 313.273 -0.137 20 0 DBADRM CCCCn1nnnc1CN1CCO[C@](COC)(C(=O)[O-])C1 ZINC001589658566 949825451 /nfs/dbraw/zinc/82/54/51/949825451.db2.gz CQRPFANCNQPGLC-CYBMUJFWSA-N -1 0 313.358 -0.225 20 0 DBADRM CCCN(C(=O)CSCC(=O)[O-])[C@H]1CC(=O)N(C)C1=O ZINC001589659409 949845718 /nfs/dbraw/zinc/84/57/18/949845718.db2.gz RTXDDSXWRZXHEH-QMMMGPOBSA-N -1 0 302.352 -0.200 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001589662552 949876923 /nfs/dbraw/zinc/87/69/23/949876923.db2.gz NHVMDDHSGUEJKX-GHMZBOCLSA-N -1 0 308.338 -0.261 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001589662554 949877681 /nfs/dbraw/zinc/87/76/81/949877681.db2.gz NHVMDDHSGUEJKX-QWRGUYRKSA-N -1 0 308.338 -0.261 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001589662555 949878140 /nfs/dbraw/zinc/87/81/40/949878140.db2.gz NHVMDDHSGUEJKX-WDEREUQCSA-N -1 0 308.338 -0.261 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)[C@@H](C)C(=O)N(C)C)c1[O-] ZINC001485293963 1013095626 /nfs/dbraw/zinc/09/56/26/1013095626.db2.gz NOTPKYOQCNXQLF-WPRPVWTQSA-N -1 0 311.386 -0.049 20 0 DBADRM CCCN(CC(=O)[O-])CC(=O)N1CCN(c2cnccn2)CC1 ZINC001589667899 949914512 /nfs/dbraw/zinc/91/45/12/949914512.db2.gz YWLNNYIHNLFEIX-UHFFFAOYSA-N -1 0 321.381 -0.078 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cccn3nnnc13)C2 ZINC001595278046 949948475 /nfs/dbraw/zinc/94/84/75/949948475.db2.gz ADOIDNFNOQUBNZ-SDBXPKJASA-N -1 0 303.278 -0.703 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 ZINC001595279407 949961881 /nfs/dbraw/zinc/96/18/81/949961881.db2.gz UBRALYRJEWOBDV-YMTOWFKASA-N -1 0 307.306 -0.161 20 0 DBADRM O=C([O-])[C@]1(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CCCO1 ZINC001595279969 949966539 /nfs/dbraw/zinc/96/65/39/949966539.db2.gz GLVLDGUWISBXNT-RDDDGLTNSA-N -1 0 324.255 -0.100 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1cnn3ccncc13)C2 ZINC001595280108 949970381 /nfs/dbraw/zinc/97/03/81/949970381.db2.gz NNMULWRBCAMTAU-YMTOWFKASA-N -1 0 302.290 -0.098 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 ZINC001595280109 949971422 /nfs/dbraw/zinc/97/14/22/949971422.db2.gz NQTUQOOPOMJLNA-XPTSAGLGSA-N -1 0 307.306 -0.161 20 0 DBADRM O=C([O-])c1c(NC(=O)[C@@H]2CCC(=O)NC2)nc2n1CCOC2 ZINC001595281862 949978921 /nfs/dbraw/zinc/97/89/21/949978921.db2.gz DSMGWTSBZXGTDQ-SSDOTTSWSA-N -1 0 308.294 -0.424 20 0 DBADRM CCCN1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1=O ZINC001589674648 949980461 /nfs/dbraw/zinc/98/04/61/949980461.db2.gz CXLJUMQIHRXSPB-UHFFFAOYSA-N -1 0 309.326 -0.553 20 0 DBADRM CCCNC(=O)C1CCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC001589676886 949999759 /nfs/dbraw/zinc/99/97/59/949999759.db2.gz JTPQZFKTOYLSPO-UHFFFAOYSA-N -1 0 323.353 -0.259 20 0 DBADRM O=C([O-])C1(CNC(=O)NCC[C@@H]2CNC(=O)C2)CCOCC1 ZINC001595284865 950000991 /nfs/dbraw/zinc/00/09/91/950000991.db2.gz GVDGLIGSBDVADI-JTQLQIEISA-N -1 0 313.354 -0.307 20 0 DBADRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001595284940 950002556 /nfs/dbraw/zinc/00/25/56/950002556.db2.gz JAXDEOVPFVNIRU-KOLCDFICSA-N -1 0 320.301 -0.443 20 0 DBADRM CCCNC(=O)CCC(=O)N(CCC(=O)OC)CC(=O)[O-] ZINC001589676943 950004302 /nfs/dbraw/zinc/00/43/02/950004302.db2.gz PSFHMLCKOPEMTQ-UHFFFAOYSA-N -1 0 302.327 -0.231 20 0 DBADRM O=C(C[C@H]1CC(=O)NC1=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001595286240 950033189 /nfs/dbraw/zinc/03/31/89/950033189.db2.gz WEIYKMNKJQWQDW-LURJTMIESA-N -1 0 322.277 -0.897 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC001595291464 950071245 /nfs/dbraw/zinc/07/12/45/950071245.db2.gz GMVFGEAMVOOLAW-FJBRNLEUSA-N -1 0 309.322 -0.408 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001595291428 950071472 /nfs/dbraw/zinc/07/14/72/950071472.db2.gz FUOSFWRPXYVLKE-RGOKHQFPSA-N -1 0 309.322 -0.171 20 0 DBADRM O=C([O-])C1(C(=O)N2CC3(C2)NC(=O)NC3=O)CCCCCC1 ZINC001595292415 950081542 /nfs/dbraw/zinc/08/15/42/950081542.db2.gz OSDAATFWJBYSCL-UHFFFAOYSA-N -1 0 309.322 -0.168 20 0 DBADRM O=C([O-])[C@]1(C(=O)NCCN2C(=O)CSC2=O)CCCO1 ZINC001595293100 950089045 /nfs/dbraw/zinc/08/90/45/950089045.db2.gz QLPKXTJFIXVBPO-LLVKDONJSA-N -1 0 302.308 -0.568 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CCC(N3CCNC3=O)CC2)CCCO1 ZINC001595294225 950101295 /nfs/dbraw/zinc/10/12/95/950101295.db2.gz YAXWKFSDNLMNQF-CQSZACIVSA-N -1 0 311.338 -0.364 20 0 DBADRM O=CN1CCC[C@H]1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001595295748 950132503 /nfs/dbraw/zinc/13/25/03/950132503.db2.gz DBVRRDRBSSIKGO-MNOVXSKESA-N -1 0 311.338 -0.811 20 0 DBADRM CC(C)(C)CC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001573839910 950133376 /nfs/dbraw/zinc/13/33/76/950133376.db2.gz YTTIBKHEUIVLCU-UHFFFAOYSA-N -1 0 321.341 -0.319 20 0 DBADRM CCCn1cc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])nn1 ZINC001589695944 950167664 /nfs/dbraw/zinc/16/76/64/950167664.db2.gz VZSSXUPCPDZIRE-JTQLQIEISA-N -1 0 317.371 -0.429 20 0 DBADRM CCN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)[C@@H]1CCNC1=O ZINC001589700664 950234653 /nfs/dbraw/zinc/23/46/53/950234653.db2.gz VVKRYGMCHGORGL-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN(C)C(=O)Cn1nnnc1N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589713835 950356438 /nfs/dbraw/zinc/35/64/38/950356438.db2.gz PASWCZYKWRZLQS-ZJUUUORDSA-N -1 0 310.358 -0.302 20 0 DBADRM CCN(CC)C(=O)CNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589721076 950422320 /nfs/dbraw/zinc/42/23/20/950422320.db2.gz DOKRICSBTOQAKT-UHFFFAOYSA-N -1 0 309.322 -0.469 20 0 DBADRM CCN1C(=O)CO[C@H](C(=O)N(C)CC(=O)[O-])[C@H]1c1nccn1C ZINC001589740189 950572927 /nfs/dbraw/zinc/57/29/27/950572927.db2.gz LBKOQADDTAFRGS-RYUDHWBXSA-N -1 0 324.337 -0.749 20 0 DBADRM CCN1C(=O)CO[C@H](C(=O)N[C@H](C)C(=O)[O-])[C@H]1c1nccn1C ZINC001589740411 950576942 /nfs/dbraw/zinc/57/69/42/950576942.db2.gz SMOFIFBSCFADAI-MIMYLULJSA-N -1 0 324.337 -0.702 20 0 DBADRM CCN1CC[C@H](OC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1=O ZINC001589741163 950589850 /nfs/dbraw/zinc/58/98/50/950589850.db2.gz CVFPTLSZOPMEAO-UWVGGRQHSA-N -1 0 312.322 -0.526 20 0 DBADRM CCN1C[C@@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1=O ZINC001589741529 950604811 /nfs/dbraw/zinc/60/48/11/950604811.db2.gz BINVXKOAYHHHLK-BHDSKKPTSA-N -1 0 311.338 -0.650 20 0 DBADRM CCN1CC[C@@H](n2nnnc2N2CC[C@@](C)(C(=O)[O-])C2)C1=O ZINC001589741747 950611234 /nfs/dbraw/zinc/61/12/34/950611234.db2.gz WGOMGMYIEZTELO-NOZJJQNGSA-N -1 0 308.342 -0.233 20 0 DBADRM CCN1C[C@@H](NC(=O)NCCOCCOCC(=O)[O-])CC1=O ZINC001589741901 950615298 /nfs/dbraw/zinc/61/52/98/950615298.db2.gz HKEVFKTWXYKELS-JTQLQIEISA-N -1 0 317.342 -0.976 20 0 DBADRM CCN1CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1=O ZINC001589744068 950638564 /nfs/dbraw/zinc/63/85/64/950638564.db2.gz JKQIWOLMFRQFSN-SNVBAGLBSA-N -1 0 311.338 -1.000 20 0 DBADRM CC[C@H](C)N(CCO)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000380145568 971680717 /nfs/dbraw/zinc/68/07/17/971680717.db2.gz WHTMAFJKXDQUQX-VIFPVBQESA-N -1 0 305.356 -0.251 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001589744319 950648344 /nfs/dbraw/zinc/64/83/44/950648344.db2.gz PGMFJVIYXIHXTN-UHFFFAOYSA-N -1 0 320.349 -0.326 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001573876512 950674890 /nfs/dbraw/zinc/67/48/90/950674890.db2.gz OMMVOPQDWWPYSM-UHFFFAOYSA-N -1 0 313.343 -0.258 20 0 DBADRM C[C@H]1COCC[C@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000380195654 971683878 /nfs/dbraw/zinc/68/38/78/971683878.db2.gz DDEGXNBGJGVAAF-WCBMZHEXSA-N -1 0 303.340 -0.329 20 0 DBADRM CCN1CCOC[C@H]1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC001589881814 950685949 /nfs/dbraw/zinc/68/59/49/950685949.db2.gz BUQUKFBIJURADK-NSHDSACASA-N -1 0 312.326 -0.831 20 0 DBADRM CCNC(=O)CC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001589882318 950693598 /nfs/dbraw/zinc/69/35/98/950693598.db2.gz MLGIOXWQZABLEN-WDEREUQCSA-N -1 0 322.365 -0.037 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001589883712 950704360 /nfs/dbraw/zinc/70/43/60/950704360.db2.gz KWSCVYFNEGFLKW-NWDGAFQWSA-N -1 0 311.382 -0.232 20 0 DBADRM CCNC(=O)CCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589883943 950708285 /nfs/dbraw/zinc/70/82/85/950708285.db2.gz STXNFIQHTZAZGO-JTQLQIEISA-N -1 0 313.354 -0.515 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001589962483 950743071 /nfs/dbraw/zinc/74/30/71/950743071.db2.gz MKXVINVBLISQRL-UWVGGRQHSA-N -1 0 322.383 -0.688 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)NC1(C(=O)[O-])CCOCC1)C(C)=O ZINC001590057661 950771836 /nfs/dbraw/zinc/77/18/36/950771836.db2.gz HPLPNGTXTDAKST-JTQLQIEISA-N -1 0 315.322 -0.105 20 0 DBADRM CCOC(=O)[C@H](CC(=O)NC1(C(=O)[O-])CCOCC1)C(C)=O ZINC001590057662 950772107 /nfs/dbraw/zinc/77/21/07/950772107.db2.gz HPLPNGTXTDAKST-SNVBAGLBSA-N -1 0 315.322 -0.105 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001590058315 950775969 /nfs/dbraw/zinc/77/59/69/950775969.db2.gz MPAIDCWOWQUAFV-UTINFBMNSA-N -1 0 314.338 -0.330 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001590058312 950777041 /nfs/dbraw/zinc/77/70/41/950777041.db2.gz MPAIDCWOWQUAFV-SGIHWFKDSA-N -1 0 314.338 -0.330 20 0 DBADRM CCOC(=O)[C@@](C)(O)CN1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001590058819 950781465 /nfs/dbraw/zinc/78/14/65/950781465.db2.gz RBYYLEQWMFJLQA-STQMWFEESA-N -1 0 305.327 -0.898 20 0 DBADRM CCOC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)COCC(=O)[O-] ZINC001590130097 950810105 /nfs/dbraw/zinc/81/01/05/950810105.db2.gz VASYILURZOGFBT-VHSXEESVSA-N -1 0 303.311 -0.295 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@@H](OC)C(=O)[O-])[C@H]1CCCOC1 ZINC001590138813 950833411 /nfs/dbraw/zinc/83/34/11/950833411.db2.gz URNMNMBKSQESJI-IVZWLZJFSA-N -1 0 303.311 -0.440 20 0 DBADRM CC1(C)C[C@@H](CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001575638970 950850179 /nfs/dbraw/zinc/85/01/79/950850179.db2.gz KWSDZQRXPUSPTM-VIFPVBQESA-N -1 0 320.357 -0.220 20 0 DBADRM CCOC(=O)[C@@]1(C)CN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001590179308 950865386 /nfs/dbraw/zinc/86/53/86/950865386.db2.gz WSQHQNKDZMXBST-NOZJJQNGSA-N -1 0 314.294 -0.604 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCCc2nnc[nH]2)CCOCC1 ZINC000316549072 950884123 /nfs/dbraw/zinc/88/41/23/950884123.db2.gz DCPBDUMHXBJCSE-UHFFFAOYSA-N -1 0 311.342 -0.082 20 0 DBADRM O=C([O-])CC1(C(=O)N[C@@H](CO)CC2OCCO2)CCOCC1 ZINC001594973269 950887703 /nfs/dbraw/zinc/88/77/03/950887703.db2.gz UAMSEPSGBSFMEG-SNVBAGLBSA-N -1 0 317.338 -0.502 20 0 DBADRM CCOC(=O)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001590208734 950888749 /nfs/dbraw/zinc/88/87/49/950888749.db2.gz MQZVFRYEUUNKKK-ZJUUUORDSA-N -1 0 312.322 -0.669 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001590208886 950890407 /nfs/dbraw/zinc/89/04/07/950890407.db2.gz OKJWBYLOITVHDC-SECBINFHSA-N -1 0 310.310 -0.222 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)nn1 ZINC000317058327 950898156 /nfs/dbraw/zinc/89/81/56/950898156.db2.gz WWVYCCZARGOUCB-BDAKNGLRSA-N -1 0 307.310 -0.897 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)nn1 ZINC000317058330 950898785 /nfs/dbraw/zinc/89/87/85/950898785.db2.gz WWVYCCZARGOUCB-DTWKUNHWSA-N -1 0 307.310 -0.897 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)c1 ZINC000380488421 971703068 /nfs/dbraw/zinc/70/30/68/971703068.db2.gz MHIUAACWINLKFA-ZCFIWIBFSA-N -1 0 314.241 -0.019 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2cccnc2C(=O)[O-])c1=O ZINC000317622775 950911837 /nfs/dbraw/zinc/91/18/37/950911837.db2.gz NJTYVVRXTIHHNA-UHFFFAOYSA-N -1 0 304.262 -0.721 20 0 DBADRM CCOC(=O)[C@H]1NC(=O)N(CC2(C(=O)[O-])CCOCC2)C1=O ZINC001590346488 950912387 /nfs/dbraw/zinc/91/23/87/950912387.db2.gz MVIGTTWKFPKJMP-QMMMGPOBSA-N -1 0 314.294 -0.649 20 0 DBADRM O=C([O-])CC1(C(=O)NCc2nnc3n2CCOC3)CCOCC1 ZINC001594976401 950917904 /nfs/dbraw/zinc/91/79/04/950917904.db2.gz QCMNKNHEXBORAP-UHFFFAOYSA-N -1 0 324.337 -0.304 20 0 DBADRM CCOC(=O)CCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001590414358 950955241 /nfs/dbraw/zinc/95/52/41/950955241.db2.gz XUGSNVSWGDJFDW-UHFFFAOYSA-N -1 0 321.351 -0.665 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@@H](O)C2CCOCC2)CCOCC1 ZINC001594978660 950961316 /nfs/dbraw/zinc/96/13/16/950961316.db2.gz RADTZTLNCFTFPX-LBPRGKRZSA-N -1 0 301.339 -0.086 20 0 DBADRM CC1(C)[C@@H](O)CCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000380563712 971706812 /nfs/dbraw/zinc/70/68/12/971706812.db2.gz AJTDOIZGSIGNOW-VIFPVBQESA-N -1 0 303.340 -0.498 20 0 DBADRM CCOC(=O)Cn1ccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)n1 ZINC001590729422 950998735 /nfs/dbraw/zinc/99/87/35/950998735.db2.gz XWQLTCZIUZWMKA-QMMMGPOBSA-N -1 0 310.266 -0.386 20 0 DBADRM CCOC(=O)N1CSC[C@@H]1C(=O)NCCOCC(=O)[O-] ZINC001590884130 951015227 /nfs/dbraw/zinc/01/52/27/951015227.db2.gz LOWITRBWBNMMAA-MRVPVSSYSA-N -1 0 306.340 -0.265 20 0 DBADRM CCOC(=O)N1CCCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001590884224 951016242 /nfs/dbraw/zinc/01/62/42/951016242.db2.gz PVRBEFNIBPBIEB-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CCn3ncnc3C2)C1 ZINC001594987453 951025077 /nfs/dbraw/zinc/02/50/77/951025077.db2.gz CEPRMPQUCWGLGI-JTQLQIEISA-N -1 0 321.337 -0.666 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC001590959101 951033984 /nfs/dbraw/zinc/03/39/84/951033984.db2.gz VLVUXTCNKSUFPT-FBIMIBRVSA-N -1 0 314.338 -0.377 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC001590959102 951034531 /nfs/dbraw/zinc/03/45/31/951034531.db2.gz VLVUXTCNKSUFPT-JMJZKYOTSA-N -1 0 314.338 -0.377 20 0 DBADRM CCOC(=O)c1cn(CCNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cn1 ZINC001591196846 951092125 /nfs/dbraw/zinc/09/21/25/951092125.db2.gz CMGQRXVEACCCCD-JTQLQIEISA-N -1 0 324.293 -0.595 20 0 DBADRM CCOC(=O)c1noc(CN[C@@H](C(=O)[O-])c2ccnn2C)n1 ZINC001591279024 951110667 /nfs/dbraw/zinc/11/06/67/951110667.db2.gz ALPNUVOLZOSLDK-SECBINFHSA-N -1 0 309.282 -0.105 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)N2CC(N3CCOCC3)C2)CO1 ZINC001595000347 951113481 /nfs/dbraw/zinc/11/34/81/951113481.db2.gz JVQDKPJRDLJXNO-YPMHNXCESA-N -1 0 312.366 -0.201 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NC[C@H](O)Cn2ccnn2)CO1 ZINC001595002375 951148329 /nfs/dbraw/zinc/14/83/29/951148329.db2.gz UEMJQADQZHUOLM-OUAUKWLOSA-N -1 0 312.326 -0.975 20 0 DBADRM CCO[C@@H](C(=O)N(CCC(=O)OC)CC(=O)[O-])[C@@H]1CCOC1 ZINC001591531650 951158207 /nfs/dbraw/zinc/15/82/07/951158207.db2.gz NBHZAFWUIWVEJO-ZWNOBZJWSA-N -1 0 317.338 -0.096 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)N[C@H](CO)Cc2c[nH]cn2)CO1 ZINC001595003273 951164709 /nfs/dbraw/zinc/16/47/09/951164709.db2.gz CNIFPGROTZTIGP-DLOVCJGASA-N -1 0 311.338 -0.301 20 0 DBADRM CCO[C@@H]1[C@H](C)[C@H]1C(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001591739639 951183754 /nfs/dbraw/zinc/18/37/54/951183754.db2.gz YGROKOIVYWVZIS-ZHSDAYTOSA-N -1 0 301.339 -0.014 20 0 DBADRM CCO[C@@H]1C[C@@](NC(=O)[C@@H](OC)C(=O)[O-])(C(=O)OC)C1(C)C ZINC001591750583 951187951 /nfs/dbraw/zinc/18/79/51/951187951.db2.gz FNFHZFMCAWTMOA-RFXMVYNHSA-N -1 0 317.338 -0.051 20 0 DBADRM CCOC1CC2(C[C@@H]2NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001591763024 951210951 /nfs/dbraw/zinc/21/09/51/951210951.db2.gz ZXKPIVJALJPACG-VQEBWTGLSA-N -1 0 310.350 -0.007 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001591765478 951224584 /nfs/dbraw/zinc/22/45/84/951224584.db2.gz YBTUBPQEYIUZBF-OUAUKWLOSA-N -1 0 322.383 -0.436 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001591765477 951225067 /nfs/dbraw/zinc/22/50/67/951225067.db2.gz YBTUBPQEYIUZBF-GARJFASQSA-N -1 0 322.383 -0.436 20 0 DBADRM CCOCCOCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001591925791 951242821 /nfs/dbraw/zinc/24/28/21/951242821.db2.gz FDMKIEJCWBFSIT-UHFFFAOYSA-N -1 0 324.399 -0.330 20 0 DBADRM CCOCCS(=O)(=O)NCc1nc([C@H](C)C(=O)[O-])no1 ZINC001591977528 951254064 /nfs/dbraw/zinc/25/40/64/951254064.db2.gz VWTXZEVIVKWHRO-ZETCQYMHSA-N -1 0 307.328 -0.286 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2c[nH]nc2C)C1 ZINC000383666851 951257219 /nfs/dbraw/zinc/25/72/19/951257219.db2.gz AFCVVNAKURMCQN-NSHDSACASA-N -1 0 303.340 -0.170 20 0 DBADRM CCON(CC)C(=O)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001591997330 951267892 /nfs/dbraw/zinc/26/78/92/951267892.db2.gz LAEUBUPXVRHQCO-VIFPVBQESA-N -1 0 323.371 -0.830 20 0 DBADRM CCO[C@@H]1COC[C@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001592003427 951283100 /nfs/dbraw/zinc/28/31/00/951283100.db2.gz AZAUJPSSWDVYDZ-KXUCPTDWSA-N -1 0 308.356 -0.826 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])[C@@H]1SC ZINC001592003936 951285830 /nfs/dbraw/zinc/28/58/30/951285830.db2.gz MPINSKKGFZKUPF-JLIMGVALSA-N -1 0 318.395 -0.152 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCCCS(C)(=O)=O)C1 ZINC000386117745 951291494 /nfs/dbraw/zinc/29/14/94/951291494.db2.gz AAHMFPUOWWGJNV-GFCCVEGCSA-N -1 0 322.383 -0.446 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCSC[C@@H]2CO)CC1 ZINC000388202834 951328692 /nfs/dbraw/zinc/32/86/92/951328692.db2.gz OYONFTIUYDXTSF-JTQLQIEISA-N -1 0 324.424 -0.563 20 0 DBADRM O=C([O-])CCCCCNC(=O)C(=O)N1CC(F)(F)C[C@@H]1CO ZINC001595034746 951393425 /nfs/dbraw/zinc/39/34/25/951393425.db2.gz LNAWLOLODQUUGQ-SECBINFHSA-N -1 0 322.308 -0.024 20 0 DBADRM O=C([O-])CCCCCNC(=O)C(=O)N1CCC(CO)CC1 ZINC001595034998 951397176 /nfs/dbraw/zinc/39/71/76/951397176.db2.gz VZWCSTYKBNKMSN-UHFFFAOYSA-N -1 0 300.355 -0.022 20 0 DBADRM Cc1nnc(CCNC(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC000391764155 951404289 /nfs/dbraw/zinc/40/42/89/951404289.db2.gz JUQNULSAGFIKPN-MRVPVSSYSA-N -1 0 300.340 -0.116 20 0 DBADRM Cc1nnc([C@@H](C)NS(=O)(=O)N2CCC(C(=O)[O-])CC2)[nH]1 ZINC000392382795 951418787 /nfs/dbraw/zinc/41/87/87/951418787.db2.gz KTUJQGGNOUYISP-SSDOTTSWSA-N -1 0 317.371 -0.195 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001595041253 951426024 /nfs/dbraw/zinc/42/60/24/951426024.db2.gz XAZVJQYROIAPIM-FRUKKLPWSA-N -1 0 302.352 -0.911 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCCNC(=O)C(C)C)C1 ZINC000392984679 951427913 /nfs/dbraw/zinc/42/79/13/951427913.db2.gz GIDQREQMXWYQRV-CQSZACIVSA-N -1 0 315.370 -0.109 20 0 DBADRM O=C([O-])CCCCNC(=O)NCCN1CCC2(C1)OCCO2 ZINC001595043194 951433404 /nfs/dbraw/zinc/43/34/04/951433404.db2.gz QAUHBHSRRQGWPW-UHFFFAOYSA-N -1 0 315.370 -0.011 20 0 DBADRM O=C([O-])CCCNC(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001595049664 951463245 /nfs/dbraw/zinc/46/32/45/951463245.db2.gz OMWVWTNCQFHJBF-GFCCVEGCSA-N -1 0 301.299 -0.628 20 0 DBADRM O=C([O-])CCCNC(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001595050219 951466106 /nfs/dbraw/zinc/46/61/06/951466106.db2.gz GVQSAEIWYCUACP-UHFFFAOYSA-N -1 0 310.310 -0.081 20 0 DBADRM C[C@H](CNC(=O)c1cnco1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575052517 951466684 /nfs/dbraw/zinc/46/66/84/951466684.db2.gz KTNNOXOXLNSILP-SSDOTTSWSA-N -1 0 315.297 -0.703 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC[C@H]1COc2ccccc2C1 ZINC001595056133 951501341 /nfs/dbraw/zinc/50/13/41/951501341.db2.gz PCECMMVAUYACSN-JTQLQIEISA-N -1 0 306.318 -0.055 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001595056140 951501397 /nfs/dbraw/zinc/50/13/97/951501397.db2.gz PMURRKOBBDOBLI-RQJHMYQMSA-N -1 0 312.244 -0.197 20 0 DBADRM O=C([O-])CN(C(=O)CN1CCC(=O)NC1=O)C1CCOCC1 ZINC001595067585 951571341 /nfs/dbraw/zinc/57/13/41/951571341.db2.gz QNWYPNQCBFGKBJ-UHFFFAOYSA-N -1 0 313.310 -0.980 20 0 DBADRM O=C([O-])CN(C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C1CCC1 ZINC001595068881 951580718 /nfs/dbraw/zinc/58/07/18/951580718.db2.gz GTBUHIPGAHCDCH-VIFPVBQESA-N -1 0 323.309 -0.534 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)N2CCS(=O)(=O)CC2)C1 ZINC000398779997 951610507 /nfs/dbraw/zinc/61/05/07/951610507.db2.gz GHRVYVLNFJDBFY-UWVGGRQHSA-N -1 0 304.368 -0.121 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCNS(C)(=O)=O)C1 ZINC000398838873 951613749 /nfs/dbraw/zinc/61/37/49/951613749.db2.gz OCOFVKJFPMONTF-IUCAKERBSA-N -1 0 307.372 -0.712 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCNC(=O)[C@H]2c2ccccc2)C1=O ZINC001595073723 951618191 /nfs/dbraw/zinc/61/81/91/951618191.db2.gz GJZXHUKHAMHDPN-GXTWGEPZSA-N -1 0 317.345 -0.155 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCS(=O)(=O)C[C@H]2C2CC2)C1=O ZINC001595074014 951622554 /nfs/dbraw/zinc/62/25/54/951622554.db2.gz LDZTZIWEWNAGPF-MNOVXSKESA-N -1 0 316.379 -0.819 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCS(=O)(=O)C[C@H]2C2CC2)C1=O ZINC001595074015 951622800 /nfs/dbraw/zinc/62/28/00/951622800.db2.gz LDZTZIWEWNAGPF-QWRGUYRKSA-N -1 0 316.379 -0.819 20 0 DBADRM O=C([O-])CN1CC[C@@H]([NH+]2CCC(CN3CCNC3=O)CC2)C1=O ZINC001595074397 951630043 /nfs/dbraw/zinc/63/00/43/951630043.db2.gz QPYLNHRGCYUVBA-GFCCVEGCSA-N -1 0 324.381 -0.591 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCOC[C@H]2C[C@H]2CCOC2)C1=O ZINC001595074431 951631603 /nfs/dbraw/zinc/63/16/03/951631603.db2.gz RRJKTKOZIOTINA-UPJWGTAASA-N -1 0 312.366 -0.201 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC001595074884 951639592 /nfs/dbraw/zinc/63/95/92/951639592.db2.gz ZJHJFFZJDZZTNU-LLVKDONJSA-N -1 0 321.333 -0.277 20 0 DBADRM CC[C@H](CNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400189244 951645689 /nfs/dbraw/zinc/64/56/89/951645689.db2.gz KYWDKMJGCDGVEP-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)c2cnn3c2OCCC3)C1=O ZINC001595080707 951674472 /nfs/dbraw/zinc/67/44/72/951674472.db2.gz AWIQCQFUBYLWCF-VIFPVBQESA-N -1 0 309.278 -0.492 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)[C@H](O)C2CCOCC2)C1=O ZINC001595081399 951683442 /nfs/dbraw/zinc/68/34/42/951683442.db2.gz TUMBQCLZSLRHDU-MWLCHTKSSA-N -1 0 301.295 -0.997 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@H]2CCNC(=O)CC2)C1=O ZINC001595081646 951686459 /nfs/dbraw/zinc/68/64/59/951686459.db2.gz BOJMSVLJZOBXSC-ZJUUUORDSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)C[C@H]2C=CS(=O)(=O)C2)C1=O ZINC001595082174 951692887 /nfs/dbraw/zinc/69/28/87/951692887.db2.gz ZNQNJCFEABZZJW-BDAKNGLRSA-N -1 0 317.319 -0.837 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)c2ccn(CC(F)F)n2)C1=O ZINC001595083034 951705038 /nfs/dbraw/zinc/70/50/38/951705038.db2.gz XVSXDCAEUPHXJR-QMMMGPOBSA-N -1 0 317.248 -0.010 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCCN2CCCC2=O)C1=O ZINC001595083589 951710387 /nfs/dbraw/zinc/71/03/87/951710387.db2.gz RGMIQRRZOYOIIT-SNVBAGLBSA-N -1 0 311.338 -0.952 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2Cc3cncnc3C2)C1=O ZINC001595085132 951720153 /nfs/dbraw/zinc/72/01/53/951720153.db2.gz RPBWWTAEJRDTEC-SNVBAGLBSA-N -1 0 304.306 -0.358 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@H]2CCn3cncc32)C1=O ZINC001595085166 951721051 /nfs/dbraw/zinc/72/10/51/951721051.db2.gz RZDFSNDNKGIUPV-ZJUUUORDSA-N -1 0 306.322 -0.233 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCC[C@@H](CCO)C2)C1=O ZINC001595086614 951735238 /nfs/dbraw/zinc/73/52/38/951735238.db2.gz LVXVAXCDLNELTB-RYUDHWBXSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@@H](O)[C@@H](F)C2)C1=O ZINC001595087000 951740418 /nfs/dbraw/zinc/74/04/18/951740418.db2.gz PRGPUTZYOMXJQB-LPEHRKFASA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC([C@@H]3CCOC3)C2)C1=O ZINC001595087167 951742470 /nfs/dbraw/zinc/74/24/70/951742470.db2.gz QUXDJOYRCBAUFG-ZYHUDNBSSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)Nc2ncccc2CO)C1=O ZINC001595087688 951749478 /nfs/dbraw/zinc/74/94/78/951749478.db2.gz QQKPJAOPIRYZQF-JTQLQIEISA-N -1 0 307.306 -0.164 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)O[C@H]2CCN(C3CC3)C2=O)C1=O ZINC001595087746 951750560 /nfs/dbraw/zinc/75/05/60/951750560.db2.gz RTXZDKDETAGAPK-QWRGUYRKSA-N -1 0 324.333 -0.384 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC[C@H](c3nnc[nH]3)C2)C1=O ZINC001595087818 951751463 /nfs/dbraw/zinc/75/14/63/951751463.db2.gz YTIARCWQSXBKGG-VHSXEESVSA-N -1 0 321.337 -0.556 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)OCCO[C@H]2CCOC2)C1=O ZINC001595088110 951754877 /nfs/dbraw/zinc/75/48/77/951754877.db2.gz YUWONMSXMZIWJY-QWRGUYRKSA-N -1 0 315.322 -0.342 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)CC2OCCCO2)C1=O ZINC001595089228 951756792 /nfs/dbraw/zinc/75/67/92/951756792.db2.gz BZXJVBNWVXAJCW-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1=O ZINC001595089938 951762552 /nfs/dbraw/zinc/76/25/52/951762552.db2.gz JNANSHMTQPFJCV-UWVGGRQHSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N2C[C@@H]3C[C@]3(O)C2)C1=O ZINC001595090130 951765580 /nfs/dbraw/zinc/76/55/80/951765580.db2.gz LZBYKWFGETYODJ-BHDSKKPTSA-N -1 0 311.338 -0.772 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NC[C@H]2COCO2)C1=O ZINC001595090248 951766063 /nfs/dbraw/zinc/76/60/63/951766063.db2.gz GPFDDXVOCLAUBK-UWVGGRQHSA-N -1 0 315.326 -0.876 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N(CCO)C2CC2)C1=O ZINC001595090704 951770495 /nfs/dbraw/zinc/77/04/95/951770495.db2.gz RFXYIHHXJJGEEJ-NSHDSACASA-N -1 0 313.354 -0.382 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NC[C@H]2CCCO2)C1=O ZINC001595091552 951779985 /nfs/dbraw/zinc/77/99/85/951779985.db2.gz SHGFNYTZFKYHTI-MNOVXSKESA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NCC(F)(F)CO)C1=O ZINC001595091543 951780211 /nfs/dbraw/zinc/78/02/11/951780211.db2.gz SBUYPMAYBCYYNH-MRVPVSSYSA-N -1 0 323.296 -0.621 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)[C@@H](O)c2ccccn2)C1=O ZINC001595092338 951791827 /nfs/dbraw/zinc/79/18/27/951791827.db2.gz PDMAFWPUBSIDNO-YPMHNXCESA-N -1 0 321.333 -0.303 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)O[C@@H]2CCOC2)C1=O ZINC001595093971 951801239 /nfs/dbraw/zinc/80/12/39/951801239.db2.gz NENKRBNBWVNGHM-NXEZZACHSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])CNC(=O)CN1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC001595098369 951837597 /nfs/dbraw/zinc/83/75/97/951837597.db2.gz HTQORZVFZPLAMW-CYBMUJFWSA-N -1 0 319.361 -0.380 20 0 DBADRM O=C([O-])CNC(=O)CN1CCCN(c2ncccc2F)CC1 ZINC001595098459 951839469 /nfs/dbraw/zinc/83/94/69/951839469.db2.gz QMZSAXZZTHTENK-UHFFFAOYSA-N -1 0 310.329 -0.066 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cnn(-c2ccncc2)c1 ZINC001595099047 951847328 /nfs/dbraw/zinc/84/73/28/951847328.db2.gz HRVZXUJQKCFAFX-UHFFFAOYSA-N -1 0 304.262 -0.375 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1n[nH]nc1-c1ccccc1 ZINC001595099321 951848748 /nfs/dbraw/zinc/84/87/48/951848748.db2.gz RUCZMIRYFRCEQF-UHFFFAOYSA-N -1 0 304.262 -0.171 20 0 DBADRM CN(CCC(N)=O)c1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000381876909 971784720 /nfs/dbraw/zinc/78/47/20/971784720.db2.gz BPPOMYIOBOBEMP-UHFFFAOYSA-N -1 0 301.324 -0.656 20 0 DBADRM C[C@H](CNC(=O)c1cn[nH]c(=O)c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485313906 1013112159 /nfs/dbraw/zinc/11/21/59/1013112159.db2.gz UGJGJSWFZYFDBL-SSDOTTSWSA-N -1 0 307.314 -0.744 20 0 DBADRM O=C([O-])COCC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC001595110767 951904545 /nfs/dbraw/zinc/90/45/45/951904545.db2.gz JZUTVHYFPFVRSH-UHFFFAOYSA-N -1 0 320.348 -0.346 20 0 DBADRM O=C([O-])COCC(=O)OCC(=O)NC(=O)NC1CCCCC1 ZINC001595110840 951906050 /nfs/dbraw/zinc/90/60/50/951906050.db2.gz NMLDVRKEIWDYOS-UHFFFAOYSA-N -1 0 316.310 -0.211 20 0 DBADRM O=C([O-])COCC(=O)OC[C@H]1CNC(c2ccccc2)=NO1 ZINC001595111257 951908055 /nfs/dbraw/zinc/90/80/55/951908055.db2.gz WAXMEDZJQOKZNQ-LLVKDONJSA-N -1 0 308.290 -0.019 20 0 DBADRM O=C([O-])COCC(=O)OC[C@@H]1CN(c2ncccn2)CCO1 ZINC001595111501 951909297 /nfs/dbraw/zinc/90/92/97/951909297.db2.gz YWVHLAKWZFGADJ-JTQLQIEISA-N -1 0 311.294 -0.674 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)NCC1CCSCC1 ZINC001595111918 951909880 /nfs/dbraw/zinc/90/98/80/951909880.db2.gz DCTRJSDZOPOYBN-UHFFFAOYSA-N -1 0 304.368 -0.537 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCC[C@H](OC(F)F)C1 ZINC001595112065 951910857 /nfs/dbraw/zinc/91/08/57/951910857.db2.gz HHCYBKLBKLYNNB-QMMMGPOBSA-N -1 0 324.280 -0.566 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC001595112153 951911801 /nfs/dbraw/zinc/91/18/01/951911801.db2.gz LYPIEVPXYUUMTN-LBPRGKRZSA-N -1 0 321.333 -0.385 20 0 DBADRM O=C([O-])COCCOCCNC(=O)Cc1ccnc(F)c1 ZINC001595112627 951915182 /nfs/dbraw/zinc/91/51/82/951915182.db2.gz BSTBVESNTQUDAF-UHFFFAOYSA-N -1 0 300.286 -0.003 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCC[C@@H]1c1cccnc1 ZINC001595112581 951915542 /nfs/dbraw/zinc/91/55/42/951915542.db2.gz ZZZJYUUMUCYIGN-GFCCVEGCSA-N -1 0 321.333 -0.038 20 0 DBADRM O=C([O-])COCCOCCN1C(=O)[C@H]2CCCCN2C1=O ZINC001595112889 951919339 /nfs/dbraw/zinc/91/93/39/951919339.db2.gz NYEPQTXVJCGQJL-SNVBAGLBSA-N -1 0 300.311 -0.079 20 0 DBADRM O=C([O-])COCCOCCNC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001595113075 951921339 /nfs/dbraw/zinc/92/13/39/951921339.db2.gz WMGUIHNKPHLULR-JTQLQIEISA-N -1 0 311.338 -0.251 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC001595113523 951925928 /nfs/dbraw/zinc/92/59/28/951925928.db2.gz APSYEIMQDYASNS-YPMHNXCESA-N -1 0 316.354 -0.029 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N[C@@H]1CCCOCC1 ZINC001595114246 951936081 /nfs/dbraw/zinc/93/60/81/951936081.db2.gz XDTNTTXZJVCNHJ-LLVKDONJSA-N -1 0 304.343 -0.028 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N[C@H]1CCCOCC1 ZINC001595114247 951936200 /nfs/dbraw/zinc/93/62/00/951936200.db2.gz XDTNTTXZJVCNHJ-NSHDSACASA-N -1 0 304.343 -0.028 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1ccc2nncn2c1 ZINC001595115001 951940711 /nfs/dbraw/zinc/94/07/11/951940711.db2.gz RBPNCDHUWKRYSU-UHFFFAOYSA-N -1 0 308.294 -0.423 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1cnc(Cl)cn1 ZINC001595115923 951944272 /nfs/dbraw/zinc/94/42/72/951944272.db2.gz FIEOATWMVFRXJM-UHFFFAOYSA-N -1 0 303.702 -0.022 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CC[C@@H](Nc2ncccn2)C1 ZINC001595123509 951986218 /nfs/dbraw/zinc/98/62/18/951986218.db2.gz FXQRZFTWCKLPEP-SNVBAGLBSA-N -1 0 314.367 -0.538 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CC[C@@H](N2CCOC2=O)C1 ZINC001595123645 951988926 /nfs/dbraw/zinc/98/89/26/951988926.db2.gz LPSUWIDOCPAOIP-SECBINFHSA-N -1 0 306.340 -0.988 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCn2c(nnc2C(F)F)C1 ZINC001595123725 951990364 /nfs/dbraw/zinc/99/03/64/951990364.db2.gz BAIQUDJVGSOLRB-UHFFFAOYSA-N -1 0 324.309 -0.469 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC2(CC1)C[C@H](O)CCO2 ZINC001595123946 951993569 /nfs/dbraw/zinc/99/35/69/951993569.db2.gz UPXQPGVEQJOTON-LLVKDONJSA-N -1 0 321.395 -0.508 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC001595123994 951993779 /nfs/dbraw/zinc/99/37/79/951993779.db2.gz IAOZFTTYQPKEPF-RYUDHWBXSA-N -1 0 320.411 -0.983 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCOC[C@H]1C[C@@H]1CCCO1 ZINC001595124487 951999461 /nfs/dbraw/zinc/99/94/61/951999461.db2.gz SWZUHVAYYDVTOY-NEPJUHHUSA-N -1 0 321.395 -0.244 20 0 DBADRM O=C([O-])CS(=O)(=O)CCS(=O)(=O)Cc1nccs1 ZINC001595125028 952006403 /nfs/dbraw/zinc/00/64/03/952006403.db2.gz KHTDYDDJSJZQDU-UHFFFAOYSA-N -1 0 313.378 -0.443 20 0 DBADRM O=C([O-])CS(=O)(=O)CCS(=O)(=O)Cc1cscn1 ZINC001595125154 952008078 /nfs/dbraw/zinc/00/80/78/952008078.db2.gz MRLBAIDZYMDKEY-UHFFFAOYSA-N -1 0 313.378 -0.443 20 0 DBADRM O=C([O-])CS(=O)(=O)CCn1nnnc1CCc1ccccc1 ZINC001595125125 952008213 /nfs/dbraw/zinc/00/82/13/952008213.db2.gz HHPNJJRYCUFEHI-UHFFFAOYSA-N -1 0 324.362 -0.042 20 0 DBADRM O=C([O-])CSCC(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001595125320 952009841 /nfs/dbraw/zinc/00/98/41/952009841.db2.gz QTCCJNRHJGODHL-BDAKNGLRSA-N -1 0 307.393 -0.303 20 0 DBADRM O=C([O-])CSCC(=O)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001595125322 952009897 /nfs/dbraw/zinc/00/98/97/952009897.db2.gz QTCCJNRHJGODHL-IUCAKERBSA-N -1 0 307.393 -0.303 20 0 DBADRM O=C([O-])Cn1cc(-c2noc([C@H]3CCCOC3)n2)c(=O)[nH]c1=O ZINC001595139721 952070392 /nfs/dbraw/zinc/07/03/92/952070392.db2.gz BFJXSVFIAZIVGS-ZETCQYMHSA-N -1 0 322.277 -0.023 20 0 DBADRM O=C([O-])Cn1cc(-c2noc([C@H]3CCC(=O)C3)n2)c(=O)[nH]c1=O ZINC001595140614 952076031 /nfs/dbraw/zinc/07/60/31/952076031.db2.gz VUYBYARTVWJVML-LURJTMIESA-N -1 0 320.261 -0.080 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@@H]2CCCCC23OCCO3)nn1 ZINC001595141563 952082604 /nfs/dbraw/zinc/08/26/04/952082604.db2.gz HFIYVXJKFCHMSA-SNVBAGLBSA-N -1 0 310.310 -0.222 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCCCOC2CCOCC2)nn1 ZINC001595141544 952082741 /nfs/dbraw/zinc/08/27/41/952082741.db2.gz GWPGMIUOUUCFBS-UHFFFAOYSA-N -1 0 312.326 -0.322 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCC(=O)Nc2cccc(F)c2)nn1 ZINC001595141928 952085979 /nfs/dbraw/zinc/08/59/79/952085979.db2.gz IQEKPNZOQULTDA-UHFFFAOYSA-N -1 0 321.268 -0.130 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@H]2CCCCS2(=O)=O)nn1 ZINC001595142904 952095481 /nfs/dbraw/zinc/09/54/81/952095481.db2.gz RUSGFLGFWUNSQL-MRVPVSSYSA-N -1 0 316.339 -0.940 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@@H](CCO)C2CCOCC2)nn1 ZINC001595142892 952095938 /nfs/dbraw/zinc/09/59/38/952095938.db2.gz RHUHEGRCTSMOHS-JTQLQIEISA-N -1 0 312.326 -0.730 20 0 DBADRM O=C([O-])Cn1cc(C(=O)Nc2cccc3c2OCC(=O)N3)nn1 ZINC001595144567 952106468 /nfs/dbraw/zinc/10/64/68/952106468.db2.gz GOQRKBMRFUJOQN-UHFFFAOYSA-N -1 0 317.261 -0.054 20 0 DBADRM O=C([O-])Cn1cc(COC(=O)c2cc3c(cn2)OCCO3)nn1 ZINC001595145642 952111170 /nfs/dbraw/zinc/11/11/70/952111170.db2.gz BMDPHTYWKCRPGJ-UHFFFAOYSA-N -1 0 320.261 -0.114 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@H](CO)C2CCC2)n1 ZINC001595147571 952120438 /nfs/dbraw/zinc/12/04/38/952120438.db2.gz GHZAOLRFLJAESE-SECBINFHSA-N -1 0 310.310 -0.817 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCC[C@@H]2CCCOC2)n1 ZINC001595151415 952135473 /nfs/dbraw/zinc/13/54/73/952135473.db2.gz VUOGKJGTYWADFF-JTQLQIEISA-N -1 0 324.337 -0.161 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NC[C@H](CO)[C@@H]2CCOC2)c1=O ZINC001595154757 952159339 /nfs/dbraw/zinc/15/93/39/952159339.db2.gz KWLRIHCDAOPTQT-GHMZBOCLSA-N -1 0 324.333 -0.692 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NC[C@@H](CO)[C@@H]2CCOC2)c1=O ZINC001595154760 952159443 /nfs/dbraw/zinc/15/94/43/952159443.db2.gz KWLRIHCDAOPTQT-MNOVXSKESA-N -1 0 324.333 -0.692 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCCNc2ncccn2)c1=O ZINC001595155022 952160354 /nfs/dbraw/zinc/16/03/54/952160354.db2.gz MAKMCBZZEFKXPI-UHFFFAOYSA-N -1 0 317.305 -0.435 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@H]2CCc3c[nH]nc3C2)c1=O ZINC001595155572 952164445 /nfs/dbraw/zinc/16/44/45/952164445.db2.gz UJZXGAJCQXJKBA-JTQLQIEISA-N -1 0 316.317 -0.057 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCCSCCCO)c1=O ZINC001595155517 952164598 /nfs/dbraw/zinc/16/45/98/952164598.db2.gz SHVUTNCRFOLCEL-UHFFFAOYSA-N -1 0 314.363 -0.222 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCC2(CO)CCOCC2)c1=O ZINC001595155856 952166549 /nfs/dbraw/zinc/16/65/49/952166549.db2.gz ZMPLEPNKAYPRRT-UHFFFAOYSA-N -1 0 324.333 -0.548 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)[C@@H]1COC[C@H]1O ZINC001595159387 952188241 /nfs/dbraw/zinc/18/82/41/952188241.db2.gz UVWQZIXJRAAITP-IJLUTSLNSA-N -1 0 315.347 -0.639 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)C1 ZINC001595162558 952200415 /nfs/dbraw/zinc/20/04/15/952200415.db2.gz JBDRCFXFBYYELK-WOPDTQHZSA-N -1 0 320.349 -0.261 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)C1 ZINC001595162556 952200689 /nfs/dbraw/zinc/20/06/89/952200689.db2.gz JBDRCFXFBYYELK-IJLUTSLNSA-N -1 0 320.349 -0.261 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H](CO)[C@H]1CCCOC1 ZINC001595169463 952219837 /nfs/dbraw/zinc/21/98/37/952219837.db2.gz OKOKGKIIKYCAKF-DCAQKATOSA-N -1 0 322.383 -0.843 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCn2ccnc21 ZINC001595169912 952221387 /nfs/dbraw/zinc/22/13/87/952221387.db2.gz WMBHEAKDOIIGDP-BDAKNGLRSA-N -1 0 300.340 -0.289 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1C[C@@H](O)C12CCC2 ZINC001595169942 952222708 /nfs/dbraw/zinc/22/27/08/952222708.db2.gz YAOMJWFGECWBRL-IVZWLZJFSA-N -1 0 304.368 -0.327 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCc2ncncc2C1 ZINC001595170007 952222807 /nfs/dbraw/zinc/22/28/07/952222807.db2.gz YYAQGTNAGDVDQD-NSHDSACASA-N -1 0 312.351 -0.372 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001595173272 952228079 /nfs/dbraw/zinc/22/80/79/952228079.db2.gz UZYRTACLERIWDJ-CHWFTXMASA-N -1 0 301.364 -0.010 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC001595173280 952228842 /nfs/dbraw/zinc/22/88/42/952228842.db2.gz VHZMZLXSUKXSLZ-ZRUFSTJUSA-N -1 0 317.363 -0.488 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2CCO)C1 ZINC001595174347 952234933 /nfs/dbraw/zinc/23/49/33/952234933.db2.gz PUPMJNOIXFPKET-HBNTYKKESA-N -1 0 319.379 -0.505 20 0 DBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)CCCN2CCOCC2)C1 ZINC001595198113 952305790 /nfs/dbraw/zinc/30/57/90/952305790.db2.gz OKEBSYLWYQPQKP-LBPRGKRZSA-N -1 0 320.411 -0.165 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](N3CCOCC3)C2)O1 ZINC000382550999 971821526 /nfs/dbraw/zinc/82/15/26/971821526.db2.gz VZEUOSMQRWQVME-UPJWGTAASA-N -1 0 312.366 -0.058 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1C[C@H]1CCC=CO1)C2 ZINC001595203403 952319899 /nfs/dbraw/zinc/31/98/99/952319899.db2.gz XEPIAYDZEDDWFD-JTNHKYCSSA-N -1 0 321.337 -0.097 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1Cc1ccco1)C2 ZINC001595203397 952319928 /nfs/dbraw/zinc/31/99/28/952319928.db2.gz XAOWKUSCXCIOEX-NOZJJQNGSA-N -1 0 305.294 -0.148 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCO[C@@H](CN3CCOCC3)C2)[nH]n1 ZINC001595206482 952329854 /nfs/dbraw/zinc/32/98/54/952329854.db2.gz BMFBQLJCQMDQOC-JTQLQIEISA-N -1 0 324.337 -0.719 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN(c3ncccn3)CC2)[nH]n1 ZINC001595207644 952341159 /nfs/dbraw/zinc/34/11/59/952341159.db2.gz ZMCPGIGSUHOYBI-UHFFFAOYSA-N -1 0 302.294 -0.140 20 0 DBADRM CN1CCC[C@@H](N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1=O ZINC001598595897 1017325669 /nfs/dbraw/zinc/32/56/69/1017325669.db2.gz DVUOYSFLWRDTIB-VHSXEESVSA-N -1 0 304.368 -0.819 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CNS(=O)(=O)N(C)C ZINC000383672043 971887244 /nfs/dbraw/zinc/88/72/44/971887244.db2.gz UFODMHGVSITUEG-RKDXNWHRSA-N -1 0 307.372 -0.906 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(CCO)C[C@H](C)O ZINC000383802231 971894645 /nfs/dbraw/zinc/89/46/45/971894645.db2.gz ZKZYTZVAIRNJAD-ZETCQYMHSA-N -1 0 307.324 -0.350 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000383994398 971905617 /nfs/dbraw/zinc/90/56/17/971905617.db2.gz PYYOPPZRVWBURG-UHFFFAOYSA-N -1 0 319.310 -0.094 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N(OC)[C@@H](C)C(=O)[O-])C1 ZINC001593353698 953351694 /nfs/dbraw/zinc/35/16/94/953351694.db2.gz CYSMVWYGNLKMDF-VHSXEESVSA-N -1 0 322.383 -0.089 20 0 DBADRM O=C([O-])c1cncc(NC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC001594738062 953354438 /nfs/dbraw/zinc/35/44/38/953354438.db2.gz HXPZINSZRWBJHQ-JTQLQIEISA-N -1 0 306.282 -0.446 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@@H](O)[C@@H]2CCCO2)c1 ZINC001594738445 953358917 /nfs/dbraw/zinc/35/89/17/953358917.db2.gz WBPMHQLBBMEOMG-NEPJUHHUSA-N -1 0 322.317 -0.021 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)CCC1 ZINC001594739308 953360999 /nfs/dbraw/zinc/36/09/99/953360999.db2.gz WJYUIAMKIGOYHO-MRVPVSSYSA-N -1 0 320.292 -0.414 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC(F)(F)C[C@H]2CO)CCC1 ZINC001594739309 953361281 /nfs/dbraw/zinc/36/12/81/953361281.db2.gz WJYUIAMKIGOYHO-QMMMGPOBSA-N -1 0 320.292 -0.414 20 0 DBADRM CC[S@@](=O)CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593459671 953369118 /nfs/dbraw/zinc/36/91/18/953369118.db2.gz GIOWRQFQVXUWOF-GWUBFIHGSA-N -1 0 304.368 -0.502 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589265742 953369883 /nfs/dbraw/zinc/36/98/83/953369883.db2.gz JXWFDRSXXGGINU-CXEAHSETSA-N -1 0 318.395 -0.561 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@@H](O)C2CCOCC2)CCOCC1 ZINC001594742832 953371071 /nfs/dbraw/zinc/37/10/71/953371071.db2.gz FDUUCRHOTSSCET-NSHDSACASA-N -1 0 301.339 -0.229 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589265905 953371059 /nfs/dbraw/zinc/37/10/59/953371059.db2.gz MQYXJXWAGALSQD-GMTAPVOTSA-N -1 0 323.353 -0.648 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CCOCC1 ZINC001594743149 953373695 /nfs/dbraw/zinc/37/36/95/953373695.db2.gz TVHYYPJSXWMBSB-SECBINFHSA-N -1 0 324.337 -0.456 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cnn(C)c2)C1 ZINC001589266558 953374164 /nfs/dbraw/zinc/37/41/64/953374164.db2.gz UJOGDUQVOTYMBG-GXSJLCMTSA-N -1 0 308.338 -0.395 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001593461284 953374707 /nfs/dbraw/zinc/37/47/07/953374707.db2.gz UERBMVGTZJCSFV-BZRFMRBBSA-N -1 0 318.395 -0.369 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2nc[nH]n2)C1 ZINC001589266603 953375079 /nfs/dbraw/zinc/37/50/79/953375079.db2.gz VAWCUQFRYBBWDU-BDAKNGLRSA-N -1 0 309.326 -0.668 20 0 DBADRM O=C(NCC1(O)CCS(=O)(=O)CC1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594745985 953385780 /nfs/dbraw/zinc/38/57/80/953385780.db2.gz LPFGTHBDOQLAFQ-KYZUINATSA-N -1 0 320.367 -0.912 20 0 DBADRM CC[C@@H](NC(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1)C(=O)[O-] ZINC001593604553 953424549 /nfs/dbraw/zinc/42/45/49/953424549.db2.gz MJYIYVNDURDQLL-SECBINFHSA-N -1 0 324.341 -0.107 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001589272952 953430292 /nfs/dbraw/zinc/43/02/92/953430292.db2.gz RVRVLNVRASXEPI-NKWVEPMBSA-N -1 0 316.339 -0.760 20 0 DBADRM O=C([O-])[C@]1(C(=O)NCCNC(=O)c2ccc(O)cc2)CCCO1 ZINC001594758246 953483430 /nfs/dbraw/zinc/48/34/30/953483430.db2.gz MMDQKCJBTCWPSJ-OAHLLOKOSA-N -1 0 322.317 -0.128 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCOC[C@H]2CCCO2)C1 ZINC001594762255 953503220 /nfs/dbraw/zinc/50/32/20/953503220.db2.gz GDXYTEFOUZPBBN-GHMZBOCLSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001594762233 953503740 /nfs/dbraw/zinc/50/37/40/953503740.db2.gz DPWHEOFZEWSWPM-WDEREUQCSA-N -1 0 319.379 -0.193 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2ccc(O)cc2)CCO1 ZINC001594762959 953514281 /nfs/dbraw/zinc/51/42/81/953514281.db2.gz DRMNLZIYUJPKLU-LBPRGKRZSA-N -1 0 322.317 -0.637 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCc2cccc(O)c2)C1 ZINC001594763302 953520137 /nfs/dbraw/zinc/52/01/37/953520137.db2.gz WQJHIBYNQRECNR-NSHDSACASA-N -1 0 306.318 -0.016 20 0 DBADRM O=C(NCCS(=O)(=O)N1CCCC1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594763390 953522347 /nfs/dbraw/zinc/52/23/47/953522347.db2.gz LWLDWOHKWNKSID-MGCOHNPYSA-N -1 0 319.383 -0.426 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2cscn2)CCO1 ZINC001594766015 953530606 /nfs/dbraw/zinc/53/06/06/953530606.db2.gz XHGBHJKAZXHOLU-SECBINFHSA-N -1 0 313.335 -0.886 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)NCCn2cncn2)CC1 ZINC001594766200 953533317 /nfs/dbraw/zinc/53/33/17/953533317.db2.gz LZJIVZJQHZNCLK-UHFFFAOYSA-N -1 0 309.326 -0.846 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)C[C@@H]2CN(C)CCO2)C1 ZINC001589282460 953535826 /nfs/dbraw/zinc/53/58/26/953535826.db2.gz RBGOKYAJTLGDEV-UTUOFQBUSA-N -1 0 320.411 -0.311 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nnc([C@@H]3CNC(=O)C3)n2C)C1 ZINC001589285068 953555516 /nfs/dbraw/zinc/55/55/16/953555516.db2.gz SIBBMSWNYPUCAT-KXUCPTDWSA-N -1 0 307.354 -0.034 20 0 DBADRM C[C@@H]1C[C@@H](CO)CN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001589286019 953572525 /nfs/dbraw/zinc/57/25/25/953572525.db2.gz LEJAYZLIEGDPHW-IJLUTSLNSA-N -1 0 312.366 -0.214 20 0 DBADRM CCc1cc(CNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n[nH]1 ZINC001593630492 953578099 /nfs/dbraw/zinc/57/80/99/953578099.db2.gz DGQBSKYURLIPMN-CQSZACIVSA-N -1 0 308.338 -0.089 20 0 DBADRM C[C@@H]1C[C@@H](CS(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)CCO1 ZINC001589290434 953596267 /nfs/dbraw/zinc/59/62/67/953596267.db2.gz UBEAOWPPNYUUEZ-JFGNBEQYSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCc2ncccn2)CCOCC1 ZINC001594777686 953604873 /nfs/dbraw/zinc/60/48/73/953604873.db2.gz JHBBBYYPJCEJQW-UHFFFAOYSA-N -1 0 322.321 -0.910 20 0 DBADRM O=C([O-])c1cc(C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)[nH]n1 ZINC001594777951 953606486 /nfs/dbraw/zinc/60/64/86/953606486.db2.gz TWQBVGBQCGRTNK-UHFFFAOYSA-N -1 0 319.277 -0.394 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCOCC2)CCS1(=O)=O ZINC001589291995 953611435 /nfs/dbraw/zinc/61/14/35/953611435.db2.gz BQPKNLNMUJUILS-VHSXEESVSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CCOCC2)CCS1(=O)=O ZINC001589291996 953611598 /nfs/dbraw/zinc/61/15/98/953611598.db2.gz BQPKNLNMUJUILS-ZJUUUORDSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)[C@@H](C)O1 ZINC001589292630 953616923 /nfs/dbraw/zinc/61/69/23/953616923.db2.gz HFLSCFPTSBPVMK-BBBLOLIVSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[C@@]2(C(=O)[O-])CCCO2)CCS1(=O)=O ZINC001589292668 953618219 /nfs/dbraw/zinc/61/82/19/953618219.db2.gz HTSXBBSPDWXCTC-KBVBSXBZSA-N -1 0 305.352 -0.298 20 0 DBADRM C[C@H]1C[C@H](c2nc(-c3cn(CC(=O)[O-])c(=O)[nH]c3=O)no2)CO1 ZINC001589294154 953628299 /nfs/dbraw/zinc/62/82/99/953628299.db2.gz FGXFWRQEWQHULI-BQBZGAKWSA-N -1 0 322.277 -0.024 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c2ncnn21 ZINC001589294193 953629747 /nfs/dbraw/zinc/62/97/47/953629747.db2.gz VAVQRCJJVKDUKE-KXUCPTDWSA-N -1 0 321.337 -0.277 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C(=O)O1 ZINC001589294495 953633272 /nfs/dbraw/zinc/63/32/72/953633272.db2.gz XUCZHWHCCWPYIP-SFYZADRCSA-N -1 0 319.335 -0.914 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001594787091 953680376 /nfs/dbraw/zinc/68/03/76/953680376.db2.gz GTKJKCZPRAPJBC-WHOHXGKFSA-N -1 0 320.349 -0.214 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCC[C@@H]1C1OCCO1 ZINC001594795115 953708907 /nfs/dbraw/zinc/70/89/07/953708907.db2.gz SDELWGSYQWJBGK-OPRDCNLKSA-N -1 0 312.322 -0.670 20 0 DBADRM CCc1ncc(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)o1 ZINC001593652110 953714427 /nfs/dbraw/zinc/71/44/27/953714427.db2.gz GCQDJROUKRBOCI-UHFFFAOYSA-N -1 0 321.293 -0.227 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001589303755 953717362 /nfs/dbraw/zinc/71/73/62/953717362.db2.gz CMSDBXWFOCZTSL-CKYFFXLPSA-N -1 0 311.338 -0.438 20 0 DBADRM CCc1nn(C)c(OC)c1CNC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001593653706 953726508 /nfs/dbraw/zinc/72/65/08/953726508.db2.gz OXIPRFSXXLLTEG-JTQLQIEISA-N -1 0 310.310 -0.163 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)N[C@H]2CCCN(CCO)C2=O)c1 ZINC001594801317 953738017 /nfs/dbraw/zinc/73/80/17/953738017.db2.gz CHTKSQAIVANNKW-JTQLQIEISA-N -1 0 322.321 -0.115 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2C[C@@H](CO)[C@H](CO)C2)c1 ZINC001594807902 953793336 /nfs/dbraw/zinc/79/33/36/953793336.db2.gz ITCRWAVVGCBJCN-QWRGUYRKSA-N -1 0 322.317 -0.618 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC001594810510 953811400 /nfs/dbraw/zinc/81/14/00/953811400.db2.gz HIERIGZRTSDJES-KCJUWKMLSA-N -1 0 308.290 -0.865 20 0 DBADRM CCn1cc(CNC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)nn1 ZINC001593665192 953830541 /nfs/dbraw/zinc/83/05/41/953830541.db2.gz JHUAWJXPBZYSNX-UHFFFAOYSA-N -1 0 318.293 -0.354 20 0 DBADRM CCn1cc(CNC(=O)c2cnc(C(=O)[O-])cn2)c(=O)[nH]c1=O ZINC001593665272 953831977 /nfs/dbraw/zinc/83/19/77/953831977.db2.gz ONDFAWMVGSBZPT-UHFFFAOYSA-N -1 0 319.277 -0.613 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCn2cnnc2C1 ZINC001594812138 953840421 /nfs/dbraw/zinc/84/04/21/953840421.db2.gz WPEHYBSCFSOGJV-UHFFFAOYSA-N -1 0 316.277 -0.648 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N2CCC3(COC3)C2)c1 ZINC001594814877 953848372 /nfs/dbraw/zinc/84/83/72/953848372.db2.gz ADZLRZIZJGKQAN-UHFFFAOYSA-N -1 0 305.290 -0.033 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001589320944 953872372 /nfs/dbraw/zinc/87/23/72/953872372.db2.gz YZTLDPGNXCDLIV-NXEZZACHSA-N -1 0 312.322 -0.526 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)c1 ZINC001594817314 953874727 /nfs/dbraw/zinc/87/47/27/953874727.db2.gz WGRSWXRTUATMAH-LKFCYVNXSA-N -1 0 305.290 -0.298 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)Nc2ccnn2CCO)c1 ZINC001594817323 953877214 /nfs/dbraw/zinc/87/72/14/953877214.db2.gz WHUXRGWSCUEVMF-UHFFFAOYSA-N -1 0 319.277 -0.454 20 0 DBADRM CCn1nc(C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])ccc1=O ZINC001593670670 953879898 /nfs/dbraw/zinc/87/98/98/953879898.db2.gz LFFIPOIXMOLUPY-VIFPVBQESA-N -1 0 311.294 -0.601 20 0 DBADRM C[C@H](O)C[C@H]1CCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000384913736 971967419 /nfs/dbraw/zinc/96/74/19/971967419.db2.gz AHHLLRKMQZLILP-VHSXEESVSA-N -1 0 317.367 -0.108 20 0 DBADRM CCn1ncc(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001593671368 953889005 /nfs/dbraw/zinc/88/90/05/953889005.db2.gz CZLXOCHUPGVNLG-JTQLQIEISA-N -1 0 309.326 -0.763 20 0 DBADRM CN(C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@@H]1CCNC1=O ZINC001593673815 953896465 /nfs/dbraw/zinc/89/64/65/953896465.db2.gz FFLVKGACMOFQGB-SNVBAGLBSA-N -1 0 323.280 -0.191 20 0 DBADRM C[C@@H]1CCCN(C(=O)C2CN(S(C)(=O)=O)C2)[C@H]1C(=O)[O-] ZINC001589325193 953897707 /nfs/dbraw/zinc/89/77/07/953897707.db2.gz ADCWFMSSFKWOAN-PSASIEDQSA-N -1 0 304.368 -0.411 20 0 DBADRM CCn1ncnc1COC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593673995 953898173 /nfs/dbraw/zinc/89/81/73/953898173.db2.gz DUSYZNSRFGJGMT-VIFPVBQESA-N -1 0 310.310 -0.336 20 0 DBADRM CN(C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC001593674582 953904574 /nfs/dbraw/zinc/90/45/74/953904574.db2.gz VFBDTHZUDIDPDF-UMNHJUIQSA-N -1 0 309.366 -0.339 20 0 DBADRM CN(C(=O)C1(C(=O)[O-])CCSCC1)C1CS(=O)(=O)C1 ZINC001593674857 953909942 /nfs/dbraw/zinc/90/99/42/953909942.db2.gz CHLUYYASEMGKIF-UHFFFAOYSA-N -1 0 307.393 -0.160 20 0 DBADRM CN(C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)[C@@H]1CCCOC1 ZINC001593675635 953921396 /nfs/dbraw/zinc/92/13/96/953921396.db2.gz VZDUPQSUFSDOCH-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cc3c(cc2O)OCO3)CC1 ZINC001594826630 953942172 /nfs/dbraw/zinc/94/21/72/953942172.db2.gz AKMJXCNVQYDMMB-UHFFFAOYSA-N -1 0 322.273 -0.510 20 0 DBADRM O=C([O-])[C@]1(NC(=O)Nc2ccnc(OCCO)c2)CCOC1 ZINC001594827306 953945996 /nfs/dbraw/zinc/94/59/96/953945996.db2.gz RXUAFXXNVWPCGR-ZDUSSCGKSA-N -1 0 311.294 -0.182 20 0 DBADRM C[C@@H]1CCCc2nc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cn21 ZINC001589332206 953949441 /nfs/dbraw/zinc/94/94/41/953949441.db2.gz CZTIQTDPMDWYTR-PRHODGIISA-N -1 0 317.367 -0.106 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]23CCOC3)C[C@H]1C(=O)[O-] ZINC001589332255 953950910 /nfs/dbraw/zinc/95/09/10/953950910.db2.gz DQSFDDZTKYJBRR-UEKVPHQBSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2occ3c2CCOC3)CC1 ZINC001594828212 953953885 /nfs/dbraw/zinc/95/38/85/953953885.db2.gz JJDHZERGDBMLOV-UHFFFAOYSA-N -1 0 308.290 -0.279 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(CCO)C2CCC2)C[C@@H]1C(=O)[O-] ZINC001589332655 953955139 /nfs/dbraw/zinc/95/51/39/953955139.db2.gz OTEDLYRAMFRADG-PWSUYJOCSA-N -1 0 312.366 -0.071 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2c[nH]nc2[C@H]2CCCO2)CC1 ZINC001594828259 953955738 /nfs/dbraw/zinc/95/57/38/953955738.db2.gz OBKQRWFOUMGSHD-SNVBAGLBSA-N -1 0 322.321 -0.370 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@H]2CCC[C@]3(CCOC3)O2)CC1 ZINC001594828354 953956912 /nfs/dbraw/zinc/95/69/12/953956912.db2.gz XITRSCCOHUQYBL-IUODEOHRSA-N -1 0 312.366 -0.057 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])[C@H]1CO ZINC001589333147 953961568 /nfs/dbraw/zinc/96/15/68/953961568.db2.gz ZLYLNXCTKXTQRF-UWVGGRQHSA-N -1 0 300.355 -0.167 20 0 DBADRM O=C([O-])[C@@H](C(=O)NC1CCN([C@H]2CCOC2=O)CC1)C1CC1 ZINC001594832619 953988527 /nfs/dbraw/zinc/98/85/27/953988527.db2.gz JFKRSWCEXNWARA-NWDGAFQWSA-N -1 0 310.350 -0.007 20 0 DBADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001593687162 953996002 /nfs/dbraw/zinc/99/60/02/953996002.db2.gz NSZWZFNZSDKXRD-WPRPVWTQSA-N -1 0 312.326 -0.522 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)Nc2n[nH]cc2C(=O)[O-])nn1 ZINC001593687639 954000306 /nfs/dbraw/zinc/00/03/06/954000306.db2.gz XQMWJYFIZQWMDA-UHFFFAOYSA-N -1 0 307.270 -0.960 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001593687647 954001209 /nfs/dbraw/zinc/00/12/09/954001209.db2.gz XQYRVGWVPULGHT-YGRLFVJLSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(C)C(=O)c1c[nH]nc1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001593688943 954012309 /nfs/dbraw/zinc/01/23/09/954012309.db2.gz DMRLSMKUPWAAHJ-UHFFFAOYSA-N -1 0 304.266 -0.148 20 0 DBADRM CN(C)C1(CS(=O)(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC001593689759 954019966 /nfs/dbraw/zinc/01/99/66/954019966.db2.gz FOPAFHBDWCQXQE-UHFFFAOYSA-N -1 0 320.411 -0.119 20 0 DBADRM CN(C)CCN(C(=O)CCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001593697696 954087993 /nfs/dbraw/zinc/08/79/93/954087993.db2.gz WKRDGLGPQDHIOR-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM C[C@@H]1CCN(C(=S)NCCNS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC001589353558 954106621 /nfs/dbraw/zinc/10/66/21/954106621.db2.gz VHPGPBINEFIFEV-BDAKNGLRSA-N -1 0 323.440 -0.547 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC(Cc3nn[nH]n3)CC2)CCOCC1 ZINC001594845904 954144844 /nfs/dbraw/zinc/14/48/44/954144844.db2.gz GHGVCRQSDNTLKM-UHFFFAOYSA-N -1 0 323.353 -0.138 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001593704345 954146390 /nfs/dbraw/zinc/14/63/90/954146390.db2.gz SCVKFGKAMGYFCC-VHSXEESVSA-N -1 0 322.383 -0.736 20 0 DBADRM C[C@@H]1CCN(c2nnnn2CCN2CCOCC2)C[C@H]1C(=O)[O-] ZINC001589360796 954154186 /nfs/dbraw/zinc/15/41/86/954154186.db2.gz DVQZOIDGEBMVLN-VXGBXAGGSA-N -1 0 324.385 -0.448 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001593708211 954157429 /nfs/dbraw/zinc/15/74/29/954157429.db2.gz KOCBGYIWDZUVFB-SNVBAGLBSA-N -1 0 321.399 -0.658 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001593708214 954158498 /nfs/dbraw/zinc/15/84/98/954158498.db2.gz KWPPMBSBGGHYAT-BDAKNGLRSA-N -1 0 307.372 -0.906 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)CNC1(CC(=O)[O-])CCOCC1 ZINC001593708446 954161495 /nfs/dbraw/zinc/16/14/95/954161495.db2.gz BFINTNLKZDGPDZ-NRFANRHFSA-N -1 0 321.399 -0.299 20 0 DBADRM O=C([O-])C1(C(=O)N2CCO[C@H](Cn3ccnn3)C2)CC=CC1 ZINC001594849366 954167646 /nfs/dbraw/zinc/16/76/46/954167646.db2.gz ONPFHMNODSORHA-NSHDSACASA-N -1 0 306.322 -0.074 20 0 DBADRM CN(C)c1cc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])ccn1 ZINC001593709017 954171184 /nfs/dbraw/zinc/17/11/84/954171184.db2.gz DRGPUVOWIMLECO-LLVKDONJSA-N -1 0 313.379 -0.169 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC[C@@H](O)C2)CCS(=O)(=O)CC1 ZINC001594850672 954181747 /nfs/dbraw/zinc/18/17/47/954181747.db2.gz MSOMNCJOVNGFSB-SECBINFHSA-N -1 0 305.352 -0.751 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)CC[C@@H]1C(=O)[O-] ZINC001589365481 954187770 /nfs/dbraw/zinc/18/77/70/954187770.db2.gz QMTASDHLBGBMKB-DZHLUBAWSA-N -1 0 310.350 -0.604 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](O)[C@H](F)C2)CC[C@H]1C(=O)[O-] ZINC001589365603 954188372 /nfs/dbraw/zinc/18/83/72/954188372.db2.gz RCZKAEOYZDGYPV-DBIOUOCHSA-N -1 0 316.329 -0.513 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](O)[C@@H](F)C2)CC[C@@H]1C(=O)[O-] ZINC001589365604 954188583 /nfs/dbraw/zinc/18/85/83/954188583.db2.gz RCZKAEOYZDGYPV-RCWTZXSCSA-N -1 0 316.329 -0.513 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C[C@@H](C)C1O ZINC001589365675 954189057 /nfs/dbraw/zinc/18/90/57/954189057.db2.gz VHOQEXPWSMTEGF-GMTAPVOTSA-N -1 0 312.366 -0.215 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CCN(Cc3nc[nH]n3)CC2)CCCO1 ZINC001594851409 954194089 /nfs/dbraw/zinc/19/40/89/954194089.db2.gz RDRNUTCRQZVHDJ-CYBMUJFWSA-N -1 0 309.326 -0.917 20 0 DBADRM CN(C)c1cnc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001593712687 954194624 /nfs/dbraw/zinc/19/46/24/954194624.db2.gz KEHKQCTYGCFSOC-SECBINFHSA-N -1 0 308.294 -0.615 20 0 DBADRM O=C([O-])[C@]1(C(=O)N[C@H](CO)CN2CCOCC2)CC=CCC1 ZINC001594851574 954195925 /nfs/dbraw/zinc/19/59/25/954195925.db2.gz APVWISFRMIJELM-SWLSCSKDSA-N -1 0 312.366 -0.393 20 0 DBADRM CN(C)c1cnc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)cn1 ZINC001593712851 954197646 /nfs/dbraw/zinc/19/76/46/954197646.db2.gz VRAXVDFJSSHMSQ-NSHDSACASA-N -1 0 304.310 -0.168 20 0 DBADRM CN(C)c1cnc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cn1 ZINC001593712850 954198079 /nfs/dbraw/zinc/19/80/79/954198079.db2.gz VRAXVDFJSSHMSQ-LLVKDONJSA-N -1 0 304.310 -0.168 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)CC[C@@H]1C(=O)[O-] ZINC001589366409 954199177 /nfs/dbraw/zinc/19/91/77/954199177.db2.gz NMDUXXOMAJGRQZ-KOLCDFICSA-N -1 0 321.333 -0.107 20 0 DBADRM O=C([O-])C1(C(=O)N2C[C@@H]3COC[C@@H]3C2)CCS(=O)(=O)CC1 ZINC001594851897 954202578 /nfs/dbraw/zinc/20/25/78/954202578.db2.gz KZZPEJXLIPTCSZ-AOOOYVTPSA-N -1 0 317.363 -0.629 20 0 DBADRM CN(C)c1ncc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1C ZINC001593715098 954208306 /nfs/dbraw/zinc/20/83/06/954208306.db2.gz GNBSWKMJBLGAGN-JTQLQIEISA-N -1 0 316.383 -0.830 20 0 DBADRM CN(CC(=O)NC1(C(=O)[O-])CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001593716531 954224709 /nfs/dbraw/zinc/22/47/09/954224709.db2.gz UKPMFIXEQVFQMK-JTQLQIEISA-N -1 0 318.395 -0.381 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCS(=O)(=O)C1 ZINC001589373753 954230120 /nfs/dbraw/zinc/23/01/20/954230120.db2.gz XBOBVFBLBSUZEO-CBAPKCEASA-N -1 0 304.324 -0.891 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CCN1CCO ZINC001589373867 954232163 /nfs/dbraw/zinc/23/21/63/954232163.db2.gz XTCDZTGVJNVQGZ-JHJVBQTASA-N -1 0 314.382 -0.219 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H]2CCc3nnnn3CC2)CCOCC1 ZINC001594856414 954240065 /nfs/dbraw/zinc/24/00/65/954240065.db2.gz MNFLUOGBFKGLJA-SECBINFHSA-N -1 0 309.326 -0.624 20 0 DBADRM C[C@H]1CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCO1 ZINC001589374779 954241806 /nfs/dbraw/zinc/24/18/06/954241806.db2.gz MZDWKJVUWOZYQI-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])C1(C(=O)NCC2(OCCO)CCOCC2)CCC1 ZINC001594856753 954244583 /nfs/dbraw/zinc/24/45/83/954244583.db2.gz OKOHECBDTYKLEB-UHFFFAOYSA-N -1 0 301.339 -0.084 20 0 DBADRM C[C@H]1CN(C(=O)NCCOCCOCC(=O)[O-])CC[C@@H]1O ZINC001589375160 954246327 /nfs/dbraw/zinc/24/63/27/954246327.db2.gz DHLBHYUHWISHEB-QWRGUYRKSA-N -1 0 304.343 -0.484 20 0 DBADRM C[C@@H]1CN(C(=O)C2(CC(=O)[O-])CCOCC2)C[C@@H](CO)O1 ZINC001589375094 954246419 /nfs/dbraw/zinc/24/64/19/954246419.db2.gz PKHAZNFAZOABLO-MNOVXSKESA-N -1 0 301.339 -0.134 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CC[C@H]1C(=O)[O-] ZINC001589375729 954253525 /nfs/dbraw/zinc/25/35/25/954253525.db2.gz OJWQUJDDRJKFEE-WDEREUQCSA-N -1 0 318.395 -0.714 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NCC[C@@H]2CCCS2(=O)=O)CCCO1 ZINC001594859235 954263582 /nfs/dbraw/zinc/26/35/82/954263582.db2.gz YCZFEUBOGAWGIU-CABZTGNLSA-N -1 0 305.352 -0.296 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NC[C@H]2CCCCS2(=O)=O)CCCO1 ZINC001594859806 954267759 /nfs/dbraw/zinc/26/77/59/954267759.db2.gz OCDKHKFMOMFZTC-SKDRFNHKSA-N -1 0 305.352 -0.296 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NCCCn2ccc(=O)[nH]c2=O)CCCO1 ZINC001594860912 954274537 /nfs/dbraw/zinc/27/45/37/954274537.db2.gz GCPQWMRHIMLUQU-ZDUSSCGKSA-N -1 0 311.294 -0.911 20 0 DBADRM C[C@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[C@H]1C(=O)[O-] ZINC001589377735 954278290 /nfs/dbraw/zinc/27/82/90/954278290.db2.gz SCXAIHGIKJFRPQ-VHSXEESVSA-N -1 0 319.321 -0.540 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001593727858 954293658 /nfs/dbraw/zinc/29/36/58/954293658.db2.gz QFXPROWOFUSRNP-AGIUHOORSA-N -1 0 314.382 -0.361 20 0 DBADRM CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)COCC(=O)[O-] ZINC001593727972 954295429 /nfs/dbraw/zinc/29/54/29/954295429.db2.gz WISHNHPLPWAKHJ-VIFPVBQESA-N -1 0 320.342 -0.568 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001593728204 954297803 /nfs/dbraw/zinc/29/78/03/954297803.db2.gz CPWLBOZRYKGNNZ-BXKDBHETSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])C1(C(=O)NCc2cccnc2)CCS(=O)(=O)CC1 ZINC001594863486 954298788 /nfs/dbraw/zinc/29/87/88/954298788.db2.gz LNFFLBYPQXTOEK-UHFFFAOYSA-N -1 0 312.347 -0.023 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC001589383995 954301170 /nfs/dbraw/zinc/30/11/70/954301170.db2.gz SEZWIRMQYAMRGW-RQJHMYQMSA-N -1 0 316.339 -0.760 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593728775 954302664 /nfs/dbraw/zinc/30/26/64/954302664.db2.gz NDZULWPGFSZIPH-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)Cc1ccc(C(N)=O)cc1 ZINC001593728799 954303199 /nfs/dbraw/zinc/30/31/99/954303199.db2.gz OIQNZLXPUHUEEF-UHFFFAOYSA-N -1 0 321.333 -0.323 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCC1([S@](C)=O)CCC1 ZINC001593731145 954318147 /nfs/dbraw/zinc/31/81/47/954318147.db2.gz GQLGDTZXSYLUQA-FQEVSTJZSA-N -1 0 304.368 -0.663 20 0 DBADRM CN(C)c1ncc(CNC(=O)C(=O)N(C)CCC(=O)[O-])n1C ZINC001593731593 954320518 /nfs/dbraw/zinc/32/05/18/954320518.db2.gz NCCINKUJZPFZHP-UHFFFAOYSA-N -1 0 311.342 -0.965 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC001593731621 954320685 /nfs/dbraw/zinc/32/06/85/954320685.db2.gz OZCLMYNFTNBTQU-JTQLQIEISA-N -1 0 312.244 -0.555 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC001593731807 954322359 /nfs/dbraw/zinc/32/23/59/954322359.db2.gz UZHHKWQDLRXTMZ-UHFFFAOYSA-N -1 0 323.353 -0.550 20 0 DBADRM O=C([O-])C1(C(=O)Nc2ccc[n+]([O-])c2)CCS(=O)(=O)CC1 ZINC001594870974 954355078 /nfs/dbraw/zinc/35/50/78/954355078.db2.gz HWNSNLJPHQXEPG-UHFFFAOYSA-N -1 0 314.319 -0.462 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)CNS(=O)(=O)c1cccnc1 ZINC001593743935 954368172 /nfs/dbraw/zinc/36/81/72/954368172.db2.gz PVSXBHWOYWYZQK-UHFFFAOYSA-N -1 0 315.351 -0.317 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1ncccn1 ZINC001485324281 1013123284 /nfs/dbraw/zinc/12/32/84/1013123284.db2.gz FUWMFJSESPUCBB-MRVPVSSYSA-N -1 0 319.325 -0.677 20 0 DBADRM CN(CCCn1ccnc1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001593750853 954406734 /nfs/dbraw/zinc/40/67/34/954406734.db2.gz IXOYHDZPECBKTI-NSHDSACASA-N -1 0 324.337 -0.956 20 0 DBADRM C[C@@H]1CN(CCNC(=O)[C@]2(C(=O)[O-])CCCO2)[C@@H](C)CO1 ZINC001589400101 954412578 /nfs/dbraw/zinc/41/25/78/954412578.db2.gz MIDFKTQUIWKOJF-WDMOLILDSA-N -1 0 300.355 -0.154 20 0 DBADRM CN(CCNC(=O)[C@]1(C(=O)[O-])CC1(C)C)CCS(C)(=O)=O ZINC001593751831 954423484 /nfs/dbraw/zinc/42/34/84/954423484.db2.gz NUUGUZYIDMKBSI-ZDUSSCGKSA-N -1 0 320.411 -0.420 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@H](C)C1O ZINC001589402734 954452081 /nfs/dbraw/zinc/45/20/81/954452081.db2.gz ZEAFACQBKNXSGZ-UWVGGRQHSA-N -1 0 320.411 -0.024 20 0 DBADRM CN(Cc1cc(C(=O)[O-])nn1C)C[C@H]1CCS(=O)(=O)C1 ZINC001593755846 954453061 /nfs/dbraw/zinc/45/30/61/954453061.db2.gz WGHXYCCAGLTWIT-SECBINFHSA-N -1 0 301.368 -0.015 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)C1 ZINC001594884945 954454340 /nfs/dbraw/zinc/45/43/40/954454340.db2.gz BBNPLHZJINBOCT-OIBJUYFYSA-N -1 0 321.293 -0.574 20 0 DBADRM CN(Cc1c(C(=O)[O-])cnn1C)C[C@@H]1CCS(=O)(=O)C1 ZINC001593756650 954455652 /nfs/dbraw/zinc/45/56/52/954455652.db2.gz AVXIWEKHKNDZEZ-VIFPVBQESA-N -1 0 301.368 -0.015 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)C1(CC(=O)[O-])CCOCC1 ZINC001589405184 954458586 /nfs/dbraw/zinc/45/85/86/954458586.db2.gz AMSXYLMHTKYCRI-MNOVXSKESA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCC[C@H](N3CCCC3=O)C2)C1 ZINC001594885567 954459276 /nfs/dbraw/zinc/45/92/76/954459276.db2.gz KJNNGOFPPQRYEN-GXSJLCMTSA-N -1 0 309.322 -0.171 20 0 DBADRM CN(CCc1ncon1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001593756994 954463969 /nfs/dbraw/zinc/46/39/69/954463969.db2.gz OVLBLHYATJQFBL-UHFFFAOYSA-N -1 0 318.355 -0.415 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CC[C@](CO)(C(F)(F)F)C2)C1 ZINC001594886316 954465804 /nfs/dbraw/zinc/46/58/04/954465804.db2.gz SREUOPWBPRSVNO-XCBNKYQSSA-N -1 0 310.228 -0.011 20 0 DBADRM O=C([O-])C1(c2noc(Cn3ncn4nccc4c3=O)n2)CCC1 ZINC001594886332 954466026 /nfs/dbraw/zinc/46/60/26/954466026.db2.gz UAKZBAKQFHOSTG-UHFFFAOYSA-N -1 0 316.277 -0.171 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC(CO)(c3ccccc3)C2)C1 ZINC001594886388 954467332 /nfs/dbraw/zinc/46/73/32/954467332.db2.gz VMOARIUNBDTFLA-LBPRGKRZSA-N -1 0 304.302 -0.012 20 0 DBADRM C[C@H]1CS(=O)(=O)CCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001589408226 954485130 /nfs/dbraw/zinc/48/51/30/954485130.db2.gz ASZWLMINQZBUPK-VHSXEESVSA-N -1 0 304.368 -0.819 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001589408998 954498145 /nfs/dbraw/zinc/49/81/45/954498145.db2.gz QTUWIEWKEGISEJ-MXWKQRLJSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@@H]1COCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589408946 954498355 /nfs/dbraw/zinc/49/83/55/954498355.db2.gz POZNFPRNZVEUDJ-NXEZZACHSA-N -1 0 324.337 -0.305 20 0 DBADRM CN(Cc1ccon1)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593764425 954502023 /nfs/dbraw/zinc/50/20/23/954502023.db2.gz JKOQBOBBNRNGQR-UHFFFAOYSA-N -1 0 316.335 -0.087 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC001594889623 954504282 /nfs/dbraw/zinc/50/42/82/954504282.db2.gz JAKVDDGNPUTCPL-ZDUSSCGKSA-N -1 0 318.333 -0.045 20 0 DBADRM CN(Cc1ncnn1CC(F)F)C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001593764759 954505685 /nfs/dbraw/zinc/50/56/85/954505685.db2.gz AFEFGMOEBCCUBE-ZETCQYMHSA-N -1 0 317.252 -0.269 20 0 DBADRM CN(Cc1nnc2c(=O)n(C)ccn12)C(=O)C1(C(=O)[O-])CCC1 ZINC001593765118 954510411 /nfs/dbraw/zinc/51/04/11/954510411.db2.gz KBCYKNZGFUNHIP-UHFFFAOYSA-N -1 0 319.321 -0.359 20 0 DBADRM CN(Cc1nnc2ccccn21)C(=O)NCCOCC(=O)[O-] ZINC001593765121 954510485 /nfs/dbraw/zinc/51/04/85/954510485.db2.gz KIYHTFCUHRGCLH-UHFFFAOYSA-N -1 0 307.310 -0.028 20 0 DBADRM CN(Cc1nnc2c(=O)n(C)ccn12)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001593765620 954515550 /nfs/dbraw/zinc/51/55/50/954515550.db2.gz YAHZPYWKDQKVMG-RKDXNWHRSA-N -1 0 319.321 -0.503 20 0 DBADRM CN(Cc1nnc2c(=O)n(C)ccn12)C(=O)CCCC(=O)[O-] ZINC001593765615 954515934 /nfs/dbraw/zinc/51/59/34/954515934.db2.gz XXUFEKIVASHAQU-UHFFFAOYSA-N -1 0 307.310 -0.359 20 0 DBADRM CN(OCC(F)(F)F)C(=O)CNC(=O)COCC(=O)[O-] ZINC001593766080 954517789 /nfs/dbraw/zinc/51/77/89/954517789.db2.gz FHSWMXFVYCCPPX-UHFFFAOYSA-N -1 0 302.205 -0.844 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1=O ZINC001593766989 954525836 /nfs/dbraw/zinc/52/58/36/954525836.db2.gz GDSIWASAJSEDMY-ZJUUUORDSA-N -1 0 311.338 -0.066 20 0 DBADRM C[C@H]1N(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCOC1(C)C ZINC001589412368 954527210 /nfs/dbraw/zinc/52/72/10/954527210.db2.gz HIZVROSBYLXNCB-NXEZZACHSA-N -1 0 314.338 -0.676 20 0 DBADRM CN1C(=O)CN(CC(=O)NCc2ccccc2C(=O)[O-])C1=O ZINC001593768675 954534170 /nfs/dbraw/zinc/53/41/70/954534170.db2.gz HOASCLJGAQUMFH-UHFFFAOYSA-N -1 0 305.290 -0.105 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593768857 954535534 /nfs/dbraw/zinc/53/55/34/954535534.db2.gz KONUGGGLCVUKFK-NXEZZACHSA-N -1 0 311.338 -0.811 20 0 DBADRM CN1C(=O)N[C@H](c2nnc(N3CCC(C(=O)[O-])CC3)n2C)C1=O ZINC001593771626 954541560 /nfs/dbraw/zinc/54/15/60/954541560.db2.gz FKWNXXQGNLKQJT-MRVPVSSYSA-N -1 0 322.325 -0.661 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC001594892280 954543776 /nfs/dbraw/zinc/54/37/76/954543776.db2.gz RCVIVADDRKRGTC-SECBINFHSA-N -1 0 304.324 -0.843 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCCN2C(=O)Cc3ccccc32)C1 ZINC001594892405 954545051 /nfs/dbraw/zinc/54/50/51/954545051.db2.gz UHRDRJMLRGOHJL-GFCCVEGCSA-N -1 0 317.301 -0.079 20 0 DBADRM CN1CC(=O)Nc2cc(C(=O)NC[C@@](C)(O)C(=O)[O-])cnc21 ZINC001593772228 954549294 /nfs/dbraw/zinc/54/92/94/954549294.db2.gz CIYHRQGUHHFIIZ-CYBMUJFWSA-N -1 0 308.294 -0.965 20 0 DBADRM CN1C[C@H](COC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1=O ZINC001593772281 954550128 /nfs/dbraw/zinc/55/01/28/954550128.db2.gz FNPRAVXFCUEVMY-NXEZZACHSA-N -1 0 312.322 -0.669 20 0 DBADRM CN1C[C@@H](CCn2nnnc2N2CCC[C@@H](C(=O)[O-])C2)CC1=O ZINC001593772813 954554975 /nfs/dbraw/zinc/55/49/75/954554975.db2.gz QHRANQBFOPAWCF-WDEREUQCSA-N -1 0 322.369 -0.158 20 0 DBADRM CN1C[C@H](CCn2nnnc2N2CCC[C@@H](C(=O)[O-])C2)CC1=O ZINC001593772812 954555089 /nfs/dbraw/zinc/55/50/89/954555089.db2.gz QHRANQBFOPAWCF-GHMZBOCLSA-N -1 0 322.369 -0.158 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CCC1=O ZINC001593773323 954559526 /nfs/dbraw/zinc/55/95/26/954559526.db2.gz BBWXAZMRCOZGNO-VIFPVBQESA-N -1 0 320.305 -0.545 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CCC1=O ZINC001593773322 954559772 /nfs/dbraw/zinc/55/97/72/954559772.db2.gz BBWXAZMRCOZGNO-SECBINFHSA-N -1 0 320.305 -0.545 20 0 DBADRM CCN(CCOCCO)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000385948369 972024008 /nfs/dbraw/zinc/02/40/08/972024008.db2.gz SYWPUBIPZAAYOP-UHFFFAOYSA-N -1 0 321.355 -0.564 20 0 DBADRM CN1CC2(CN(C(=O)[C@H]3CO[C@H](CCC(=O)[O-])C3)C2)OC1=O ZINC001593773846 954572004 /nfs/dbraw/zinc/57/20/04/954572004.db2.gz LEUSFVZBOOKHRH-NXEZZACHSA-N -1 0 312.322 -0.081 20 0 DBADRM C[C@H]1OCC[C@@H]1N(CCO)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589418007 954573623 /nfs/dbraw/zinc/57/36/23/954573623.db2.gz YYZYQWQWEHHXPI-ZJUUUORDSA-N -1 0 312.326 -0.029 20 0 DBADRM C[C@@H]1c2cccn2CCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001589418722 954580907 /nfs/dbraw/zinc/58/09/07/954580907.db2.gz XRWMFYAMRWPVQL-ZYHUDNBSSA-N -1 0 321.333 -0.297 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CC[C@H](Nc3ncccn3)C2)C1 ZINC001594897988 954587195 /nfs/dbraw/zinc/58/71/95/954587195.db2.gz DQQAPIRUIIBUDQ-QWRGUYRKSA-N -1 0 305.338 -0.147 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC001594897977 954587271 /nfs/dbraw/zinc/58/72/71/954587271.db2.gz DCQGJLNGSDIMLM-KOLCDFICSA-N -1 0 316.379 -0.472 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCN(c3ncc(F)cn3)CC2)C1 ZINC001594898474 954592605 /nfs/dbraw/zinc/59/26/05/954592605.db2.gz KWFIKQQBWQICTH-SNVBAGLBSA-N -1 0 323.328 -0.372 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(c3cnc(CO)cn3)CC2)C1 ZINC001594898492 954593641 /nfs/dbraw/zinc/59/36/41/954593641.db2.gz LOGORWRCCBROCO-SNVBAGLBSA-N -1 0 320.349 -0.129 20 0 DBADRM C/C=C/C[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)C(=O)OCC ZINC001589420620 954598957 /nfs/dbraw/zinc/59/89/57/954598957.db2.gz NJXVGTMSMHUGGF-HYYFJVDXSA-N -1 0 310.310 -0.010 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589425087 954611546 /nfs/dbraw/zinc/61/15/46/954611546.db2.gz VQKYJGHQPNRTOJ-UWVGGRQHSA-N -1 0 313.354 -0.517 20 0 DBADRM CCC(=O)N1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001589425498 954613107 /nfs/dbraw/zinc/61/31/07/954613107.db2.gz DPEOEXORRKFAMQ-UHFFFAOYSA-N -1 0 320.305 -0.243 20 0 DBADRM C[NH+]1CCC(O[N-]C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001593778761 954619668 /nfs/dbraw/zinc/61/96/68/954619668.db2.gz XVPOXSRHBGAILQ-NSHDSACASA-N -1 0 313.354 -0.548 20 0 DBADRM CN1CCC2(CCN(CN3C[C@@H](C(=O)[O-])CC3=O)CC2)C1=O ZINC001593779679 954628288 /nfs/dbraw/zinc/62/82/88/954628288.db2.gz RNEHWNAOXMZVJQ-NSHDSACASA-N -1 0 309.366 -0.179 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)[C@H](CO)C1 ZINC001593781215 954666235 /nfs/dbraw/zinc/66/62/35/954666235.db2.gz JHNGPMBQGKKIAM-SDDRHHMPSA-N -1 0 300.355 -0.609 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC001593781278 954666932 /nfs/dbraw/zinc/66/69/32/954666932.db2.gz KBJOWLVWIYARMT-NEPJUHHUSA-N -1 0 311.382 -0.232 20 0 DBADRM CN(Cc1nnc2n1CCN(C)C2=O)C(=O)C(C)(C)C(=O)[O-] ZINC001593786441 954702549 /nfs/dbraw/zinc/70/25/49/954702549.db2.gz DPYPQWVQDSMNLQ-UHFFFAOYSA-N -1 0 309.326 -0.567 20 0 DBADRM CN1CCn2c(CNC(=O)[C@@H](C(=O)[O-])C3CC3)nnc2C1=O ZINC001593786842 954710431 /nfs/dbraw/zinc/71/04/31/954710431.db2.gz RFWWDFXZQNNFKP-VIFPVBQESA-N -1 0 307.310 -0.909 20 0 DBADRM CN1CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1=O ZINC001593787092 954715304 /nfs/dbraw/zinc/71/53/04/954715304.db2.gz ZVHZLIOCDWFNND-GFCCVEGCSA-N -1 0 316.317 -0.036 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(F)(F)C(=O)N2CCOCC2)C1 ZINC001594914531 954731404 /nfs/dbraw/zinc/73/14/04/954731404.db2.gz ISESXBMMNAYFDS-MRVPVSSYSA-N -1 0 306.265 -0.586 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)C1 ZINC001594914518 954731587 /nfs/dbraw/zinc/73/15/87/954731587.db2.gz IDQRBNVIUFSYFD-ZHAHWJHGSA-N -1 0 319.317 -0.110 20 0 DBADRM CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001593788381 954741062 /nfs/dbraw/zinc/74/10/62/954741062.db2.gz CXWUKPGDEBGCKD-JQWIXIFHSA-N -1 0 319.317 -0.311 20 0 DBADRM CNC(=O)C1(C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])CCC1 ZINC001593788588 954743829 /nfs/dbraw/zinc/74/38/29/954743829.db2.gz IQQDKKDRVOIDNM-QMMMGPOBSA-N -1 0 300.311 -0.575 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCC[C@H](CCO)C2)CC1 ZINC001594915957 954753197 /nfs/dbraw/zinc/75/31/97/954753197.db2.gz IPHUEFOKKPSPJV-LLVKDONJSA-N -1 0 312.366 -0.069 20 0 DBADRM CNC(=O)CCCCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001593790613 954755251 /nfs/dbraw/zinc/75/52/51/954755251.db2.gz CSKRZLWYRUBFGT-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593790909 954756336 /nfs/dbraw/zinc/75/63/36/954756336.db2.gz JPLNSACIKCEUKF-UHFFFAOYSA-N -1 0 308.294 -0.687 20 0 DBADRM CNC(=O)[C@@H]1CCCCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593792378 954767634 /nfs/dbraw/zinc/76/76/34/954767634.db2.gz XKYFYOBGXCYDJW-NSHDSACASA-N -1 0 321.333 -0.326 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CCO1 ZINC001593792423 954767848 /nfs/dbraw/zinc/76/78/48/954767848.db2.gz ZKLJGFFRZYVPQN-TZNOJPMFSA-N -1 0 308.290 -0.036 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCC[C@@]23CCOC3=O)C1 ZINC001594917614 954772269 /nfs/dbraw/zinc/77/22/69/954772269.db2.gz UVCMBDXRKOUUDZ-XPTSAGLGSA-N -1 0 310.306 -0.772 20 0 DBADRM CNC(=O)c1cc(N2CCO[C@](COC)(C(=O)[O-])C2)ccn1 ZINC001593794023 954792200 /nfs/dbraw/zinc/79/22/00/954792200.db2.gz DEPVAXYCCZVYPT-CQSZACIVSA-N -1 0 309.322 -0.252 20 0 DBADRM CNC(=O)c1c(C)[nH]nc1NC(=O)c1cc(C(=O)[O-])nn1C ZINC001593794158 954792725 /nfs/dbraw/zinc/79/27/25/954792725.db2.gz HKXQUNVRYUFWEI-UHFFFAOYSA-N -1 0 306.282 -0.238 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(C(=O)[O-])cn1 ZINC001593794832 954800434 /nfs/dbraw/zinc/80/04/34/954800434.db2.gz ZSGSWRKFEJKQDM-NSHDSACASA-N -1 0 317.305 -0.410 20 0 DBADRM CC[C@@](C)(CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)OC ZINC001589452064 954808497 /nfs/dbraw/zinc/80/84/97/954808497.db2.gz QWCFORQTUKWNOQ-ZDUSSCGKSA-N -1 0 312.326 -0.163 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001593797303 954817288 /nfs/dbraw/zinc/81/72/88/954817288.db2.gz GGLZITUXMRGVRB-JOYOIKCWSA-N -1 0 320.367 -0.840 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593797351 954817697 /nfs/dbraw/zinc/81/76/97/954817697.db2.gz HNEVCACOHZRRSZ-BQBZGAKWSA-N -1 0 311.298 -0.627 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC001593797837 954825490 /nfs/dbraw/zinc/82/54/90/954825490.db2.gz CRNYRNBWVHUFCL-GXFFZTMASA-N -1 0 316.379 -0.052 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001593798054 954825960 /nfs/dbraw/zinc/82/59/60/954825960.db2.gz IGWDHHCFPAWKDZ-SECBINFHSA-N -1 0 313.335 -0.457 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001593798260 954829595 /nfs/dbraw/zinc/82/95/95/954829595.db2.gz QJVZPQPRTHRKIN-NXEZZACHSA-N -1 0 321.399 -0.322 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)c1 ZINC001593798752 954839421 /nfs/dbraw/zinc/83/94/21/954839421.db2.gz UPMHJVOOADBOQN-LLVKDONJSA-N -1 0 305.290 -0.108 20 0 DBADRM CNS(=O)(=O)NC1CCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC001593799045 954844982 /nfs/dbraw/zinc/84/49/82/954844982.db2.gz NLGPOLGMUCEQGJ-UHFFFAOYSA-N -1 0 307.372 -0.858 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(OC)[C@H](C)C(=O)[O-])o1 ZINC001593799051 954845263 /nfs/dbraw/zinc/84/52/63/954845263.db2.gz NMJAIFZYCJUAFQ-ZCFIWIBFSA-N -1 0 306.296 -0.336 20 0 DBADRM CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)C(=O)[O-])c1 ZINC001593801114 954847568 /nfs/dbraw/zinc/84/75/68/954847568.db2.gz DKWJAYSWKLDTDA-LURJTMIESA-N -1 0 302.308 -0.041 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CC[C@](F)(CO)C2)CC1 ZINC001594934968 954849514 /nfs/dbraw/zinc/84/95/14/954849514.db2.gz FPHGIYATQUBPAK-LLVKDONJSA-N -1 0 310.347 -0.566 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCCO[C@@H]2CCOC2)CC1 ZINC001594939178 954865502 /nfs/dbraw/zinc/86/55/02/954865502.db2.gz JKVQFCPOJNJUMT-LLVKDONJSA-N -1 0 322.383 -0.577 20 0 DBADRM COC(=O)[C@@H](C)CN(C)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593805241 954893199 /nfs/dbraw/zinc/89/31/99/954893199.db2.gz CXYISAIKTQEFGF-VIFPVBQESA-N -1 0 310.306 -0.186 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)CCO1 ZINC001594941235 954894469 /nfs/dbraw/zinc/89/44/69/954894469.db2.gz CJPJWBYJRODGNO-RYUDHWBXSA-N -1 0 305.290 -0.113 20 0 DBADRM COC(=O)[C@@H](CC(F)F)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001593805661 954900632 /nfs/dbraw/zinc/90/06/32/954900632.db2.gz AVNTVLJVTGGEFE-RXMQYKEDSA-N -1 0 306.225 -0.711 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)C1(C(=O)[O-])CC=CC1 ZINC001593806240 954908910 /nfs/dbraw/zinc/90/89/10/954908910.db2.gz GZTWUORCBROCIT-SECBINFHSA-N -1 0 313.306 -0.172 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCC2N=NC(=O)N2C2CC2)CCO1 ZINC001594946791 954919599 /nfs/dbraw/zinc/91/95/99/954919599.db2.gz YZMZZMZQQLTGLE-MRVPVSSYSA-N -1 0 311.298 -0.686 20 0 DBADRM COC(=O)[C@H](CNC(=O)c1cn(CC(=O)[O-])nn1)CC(C)C ZINC001593809747 954923078 /nfs/dbraw/zinc/92/30/78/954923078.db2.gz AFFMDUQQGXGUGP-VIFPVBQESA-N -1 0 312.326 -0.072 20 0 DBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001593810792 954936116 /nfs/dbraw/zinc/93/61/16/954936116.db2.gz KNZRWPOCSJXRHH-IUCAKERBSA-N -1 0 312.326 -0.317 20 0 DBADRM COC(=O)[C@H](Cc1cncs1)NC(=O)[C@H](OC)C(=O)[O-] ZINC001593811073 954939293 /nfs/dbraw/zinc/93/92/93/954939293.db2.gz MPNWENGNNIAURD-YUMQZZPRSA-N -1 0 302.308 -0.557 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H](CO)CN1CCOCC1 ZINC001589474495 954951200 /nfs/dbraw/zinc/95/12/00/954951200.db2.gz XUSLUACDFFAPKH-NSHDSACASA-N -1 0 302.371 -0.313 20 0 DBADRM COC(=O)[C@]1(C)CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001593812399 954958710 /nfs/dbraw/zinc/95/87/10/954958710.db2.gz CMDCPAPDOWBONL-GFCCVEGCSA-N -1 0 307.368 -0.239 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001593813183 954967724 /nfs/dbraw/zinc/96/77/24/954967724.db2.gz CKTBGALYJAHUON-ZDUSSCGKSA-N -1 0 309.278 -0.079 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2CCCOCC2CC2)CCO1 ZINC001594954620 954977425 /nfs/dbraw/zinc/97/74/25/954977425.db2.gz NMWYHKLDMXERGB-NSHDSACASA-N -1 0 311.342 -0.220 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NC2(C(=O)[O-])CCOCC2)CC1 ZINC001593813850 954977980 /nfs/dbraw/zinc/97/79/80/954977980.db2.gz MBGJHEJXRKAELI-UHFFFAOYSA-N -1 0 321.351 -0.507 20 0 DBADRM O=C([O-])[C@H]1CN(c2nc3ccccc3n3nnnc23)CCO1 ZINC001594954788 954980449 /nfs/dbraw/zinc/98/04/49/954980449.db2.gz XMCKZHRKEQAQOT-SNVBAGLBSA-N -1 0 300.278 -0.038 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cnn3ccccc23)CCO1 ZINC001594954971 954983289 /nfs/dbraw/zinc/98/32/89/954983289.db2.gz LWSCGEYFNHOWQW-SNVBAGLBSA-N -1 0 311.319 -0.192 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc(Nc2nn[nH]n2)c1 ZINC001594957466 954989740 /nfs/dbraw/zinc/98/97/40/954989740.db2.gz JHBAZLQDUHZMAH-JTQLQIEISA-N -1 0 318.293 -0.131 20 0 DBADRM COC(=O)[C@@]1(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCSC1 ZINC001593814718 954990020 /nfs/dbraw/zinc/99/00/20/954990020.db2.gz QPMQVKWBMZCDES-WRWORJQWSA-N -1 0 302.308 -0.619 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC001594957882 954995657 /nfs/dbraw/zinc/99/56/57/954995657.db2.gz RNUZQRVDGGLGAW-ZETCQYMHSA-N -1 0 322.281 -0.901 20 0 DBADRM COC(=O)C12CC(C1)CN2S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593815253 954996793 /nfs/dbraw/zinc/99/67/93/954996793.db2.gz DGOSWLRKKKBETH-XEVUQIKYSA-N -1 0 318.351 -0.582 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCN1CC[C@@H](F)C1 ZINC001594959794 955002640 /nfs/dbraw/zinc/00/26/40/955002640.db2.gz FWNGZTKXTFSOLE-NXEZZACHSA-N -1 0 322.358 -0.870 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1ccncc1 ZINC001594959756 955002827 /nfs/dbraw/zinc/00/28/27/955002827.db2.gz DPIXTQPLTMVBSB-NSHDSACASA-N -1 0 312.347 -0.276 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC001594959935 955004409 /nfs/dbraw/zinc/00/44/09/955004409.db2.gz KDVMAWQVTHVYAD-QEYWKRMJSA-N -1 0 303.336 -0.878 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCCOCC1 ZINC001594959990 955005465 /nfs/dbraw/zinc/00/54/65/955005465.db2.gz LRRRYXVMDHXAMZ-ZJUUUORDSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCCOCC1 ZINC001594959989 955005556 /nfs/dbraw/zinc/00/55/56/955005556.db2.gz LRRRYXVMDHXAMZ-VHSXEESVSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C1SCCS1 ZINC001594960110 955006666 /nfs/dbraw/zinc/00/66/66/955006666.db2.gz PGWDELNDQFZTQL-ZCFIWIBFSA-N -1 0 311.406 -0.497 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)/C=C\c1cccnc1 ZINC001594960140 955008161 /nfs/dbraw/zinc/00/81/61/955008161.db2.gz QHEPPATYEZBXRS-DLRQAJBASA-N -1 0 310.331 -0.195 20 0 DBADRM N#Cc1ccc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)cn1 ZINC000386523001 972061676 /nfs/dbraw/zinc/06/16/76/972061676.db2.gz FEVPGKFSHLDUQC-UHFFFAOYSA-N -1 0 311.319 -0.447 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)c1nc[nH]n1)C[C@@H]2C(=O)[O-] ZINC001593819391 955017736 /nfs/dbraw/zinc/01/77/36/955017736.db2.gz HFQNJPVNHXMKLF-LPATWVRLSA-N -1 0 308.294 -0.469 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)C[C@@H]1CC(=O)N1)C[C@@H]2C(=O)[O-] ZINC001593820056 955024727 /nfs/dbraw/zinc/02/47/27/955024727.db2.gz ICUDWZJVINTKPN-DNCVYYJJSA-N -1 0 324.333 -0.623 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)C[C@H]1CC(=O)N1)C[C@@H]2C(=O)[O-] ZINC001593820061 955024793 /nfs/dbraw/zinc/02/47/93/955024793.db2.gz ICUDWZJVINTKPN-NGQZXSQQSA-N -1 0 324.333 -0.623 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1cnc2n1CCOC2 ZINC001594965804 955052814 /nfs/dbraw/zinc/05/28/14/955052814.db2.gz POYGYXXKKJTMTE-JTQLQIEISA-N -1 0 315.351 -0.903 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N(C)Cc1cnn(C)c1C)C(=O)[O-] ZINC001589514058 955054804 /nfs/dbraw/zinc/05/48/04/955054804.db2.gz ATEIWTFZSIWGOE-SNVBAGLBSA-N -1 0 310.354 -0.086 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1cnc2cnccn12 ZINC001594966316 955060104 /nfs/dbraw/zinc/06/01/04/955060104.db2.gz ZFHBUFRMYQNRRH-JTQLQIEISA-N -1 0 310.335 -0.587 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C(=O)[O-] ZINC001589517163 955069414 /nfs/dbraw/zinc/06/94/14/955069414.db2.gz CGNQTHCENSXHJA-WDEREUQCSA-N -1 0 311.382 -0.020 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CC[C@@H](C2OCCO2)C1)C(=O)[O-] ZINC001589517058 955069839 /nfs/dbraw/zinc/06/98/39/955069839.db2.gz AKTSABISKJEENW-VHSXEESVSA-N -1 0 314.338 -0.565 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)NCCN1CCOC[C@@H]1C)C(=O)[O-] ZINC001589518929 955083051 /nfs/dbraw/zinc/08/30/51/955083051.db2.gz OTBWIDZDOFPJFQ-QWRGUYRKSA-N -1 0 315.370 -0.950 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1)C(=O)[O-] ZINC001589519639 955088447 /nfs/dbraw/zinc/08/84/47/955088447.db2.gz UBPMALJOULUIQU-JRPNMDOOSA-N -1 0 312.366 -0.166 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)NC[C@@]1(OC)CCSC1)C(=O)[O-] ZINC001589519948 955089224 /nfs/dbraw/zinc/08/92/24/955089224.db2.gz XLWDSHVFSDGTGK-ZANVPECISA-N -1 0 318.395 -0.148 20 0 DBADRM COC(=O)C1CC2(C1)CN(Cc1nnn(C)n1)C[C@@H]2C(=O)[O-] ZINC001593824919 955091489 /nfs/dbraw/zinc/09/14/89/955091489.db2.gz BKGXRTFJLZPOLV-XQVHRTOBSA-N -1 0 309.326 -0.704 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CCO1 ZINC001593827527 955114879 /nfs/dbraw/zinc/11/48/79/955114879.db2.gz DWVCJTZJSNFGLI-AXFHLTTASA-N -1 0 315.322 -0.343 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CCO1 ZINC001593827530 955115419 /nfs/dbraw/zinc/11/54/19/955115419.db2.gz DWVCJTZJSNFGLI-VWYCJHECSA-N -1 0 315.322 -0.343 20 0 DBADRM COCC[C@@H](COC)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000386638319 972070599 /nfs/dbraw/zinc/07/05/99/972070599.db2.gz AGTFCMPWGQQKHF-WDEREUQCSA-N -1 0 304.343 -0.077 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)Nc2cc(C(=O)[O-])n[nH]2)C1=O ZINC001593828229 955122887 /nfs/dbraw/zinc/12/28/87/955122887.db2.gz GOCRUQWKRDHMLO-ZETCQYMHSA-N -1 0 324.293 -0.542 20 0 DBADRM COC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001593829056 955132027 /nfs/dbraw/zinc/13/20/27/955132027.db2.gz UOLSRMKTPMTUJL-LLVKDONJSA-N -1 0 321.333 -0.043 20 0 DBADRM COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)[C@H]3CC(C(=O)[O-])=NO3)[C@@H]2C1 ZINC001593829267 955134612 /nfs/dbraw/zinc/13/46/12/955134612.db2.gz FVOMBMVYTXXORI-RKYHVTRTSA-N -1 0 310.306 -0.080 20 0 DBADRM CC[C@@H](CNC(=O)N1CCO[C@H](CS(C)(=O)=O)C1)C(=O)[O-] ZINC001589528352 955137028 /nfs/dbraw/zinc/13/70/28/955137028.db2.gz IPIZXDXHTJSUHR-UWVGGRQHSA-N -1 0 322.383 -0.448 20 0 DBADRM COC(=O)C1CCC(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])CC1 ZINC001593829701 955138886 /nfs/dbraw/zinc/13/88/86/955138886.db2.gz RGVDHHCZNZWOJE-SHVIVCPWSA-N -1 0 323.367 -0.527 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000386698009 972074303 /nfs/dbraw/zinc/07/43/03/972074303.db2.gz USKKDZXSKQAXNI-RGOKHQFPSA-N -1 0 309.322 -0.456 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001593833243 955171405 /nfs/dbraw/zinc/17/14/05/955171405.db2.gz SACHRMPTBKOMBJ-SNVBAGLBSA-N -1 0 324.289 -0.637 20 0 DBADRM Cc1nc(C)c(CCC(=O)N2CC[C@](O)(C(=O)[O-])C2)c(=O)[nH]1 ZINC000386725438 972076177 /nfs/dbraw/zinc/07/61/77/972076177.db2.gz AZEFZDFOGRLHPR-CQSZACIVSA-N -1 0 309.322 -0.220 20 0 DBADRM CC[C@H](CNC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001589550952 955215030 /nfs/dbraw/zinc/21/50/30/955215030.db2.gz PUMBBRMHZLQASZ-SSDOTTSWSA-N -1 0 301.324 -0.430 20 0 DBADRM C[C@@H]1[C@H](NC(=O)N2CCO[C@H](CC(=O)[O-])C2)CCS1(=O)=O ZINC000386809347 972081890 /nfs/dbraw/zinc/08/18/90/972081890.db2.gz OSVPEWZSTOJDCN-OPRDCNLKSA-N -1 0 320.367 -0.553 20 0 DBADRM C[C@@H]1[C@H](NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCS1(=O)=O ZINC000386809346 972082071 /nfs/dbraw/zinc/08/20/71/972082071.db2.gz OSVPEWZSTOJDCN-KXUCPTDWSA-N -1 0 320.367 -0.553 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H](OC)c1cnn(C)c1 ZINC001593836096 955313468 /nfs/dbraw/zinc/31/34/68/955313468.db2.gz QIIPEKKXKYLDFQ-GFCCVEGCSA-N -1 0 313.310 -0.416 20 0 DBADRM Cc1noc(CNC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)n1 ZINC001594499730 955315299 /nfs/dbraw/zinc/31/52/99/955315299.db2.gz ADODYNQHWKIOAG-VIFPVBQESA-N -1 0 310.310 -0.292 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C(=O)N1CCC[C@H](C)C1 ZINC001593836380 955315675 /nfs/dbraw/zinc/31/56/75/955315675.db2.gz YEVSTWJUECDDDN-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001593836600 955316414 /nfs/dbraw/zinc/31/64/14/955316414.db2.gz CDVHCGGUIJSQFX-AEJSXWLSSA-N -1 0 300.311 -0.177 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC001589000514 955319802 /nfs/dbraw/zinc/31/98/02/955319802.db2.gz ZXXLIBPGEYNUKB-GXSJLCMTSA-N -1 0 313.354 -0.071 20 0 DBADRM COC(=O)C[C@@H]1COCCN1CN1C[C@@H](C(=O)[O-])CC1=O ZINC001593837715 955326315 /nfs/dbraw/zinc/32/63/15/955326315.db2.gz YGCIJOGYVHYKDX-VHSXEESVSA-N -1 0 300.311 -0.859 20 0 DBADRM COC(=O)C[C@H]1COCCN1CN1C[C@H](C(=O)[O-])CC1=O ZINC001593837716 955326873 /nfs/dbraw/zinc/32/68/73/955326873.db2.gz YGCIJOGYVHYKDX-ZJUUUORDSA-N -1 0 300.311 -0.859 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC001589001399 955328339 /nfs/dbraw/zinc/32/83/39/955328339.db2.gz OHYGIVCRMILBOO-ZETCQYMHSA-N -1 0 322.321 -0.831 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc(C(N)=O)cc1 ZINC001593838725 955330531 /nfs/dbraw/zinc/33/05/31/955330531.db2.gz MLKNYBPAZJECJG-UHFFFAOYSA-N -1 0 308.290 -0.125 20 0 DBADRM Cc1noc(C2CN(C(=O)C(=O)NCCCCC(=O)[O-])C2)n1 ZINC001594502101 955330907 /nfs/dbraw/zinc/33/09/07/955330907.db2.gz HDSRKDYWIBBLOB-UHFFFAOYSA-N -1 0 310.310 -0.325 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN1C(N)=O ZINC001593838920 955333047 /nfs/dbraw/zinc/33/30/47/955333047.db2.gz HAQWTTDUIJYSLW-QMMMGPOBSA-N -1 0 301.299 -0.994 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H]1CCCN(C)C1=O)C(=O)[O-] ZINC001593845197 955406226 /nfs/dbraw/zinc/40/62/26/955406226.db2.gz GPTFPYQQYHVDFR-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000386952711 972093698 /nfs/dbraw/zinc/09/36/98/972093698.db2.gz JAGOOZDLDLSLRO-KNVOCYPGSA-N -1 0 306.234 -0.603 20 0 DBADRM COC(=O)CC[C@H](NC(=O)C[C@@H]1CCCC(=O)N1)C(=O)[O-] ZINC001593845600 955410635 /nfs/dbraw/zinc/41/06/35/955410635.db2.gz HOYLHSMRFJASAL-IUCAKERBSA-N -1 0 300.311 -0.432 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001593845804 955413432 /nfs/dbraw/zinc/41/34/32/955413432.db2.gz ZYNAARCRLKBIBY-RKDXNWHRSA-N -1 0 300.311 -0.717 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NCc2ccccc2C(=O)[O-])c1=O ZINC001594517127 955417420 /nfs/dbraw/zinc/41/74/20/955417420.db2.gz AMNBDEQDNYRZBK-UHFFFAOYSA-N -1 0 317.301 -0.438 20 0 DBADRM C[C@]1(C(N)=O)CCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC000386991378 972095980 /nfs/dbraw/zinc/09/59/80/972095980.db2.gz CGZDGBFKJDZGBM-LBPRGKRZSA-N -1 0 313.335 -0.334 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@@H](c2nccn2C)C1)C(=O)[O-] ZINC001589019207 955448943 /nfs/dbraw/zinc/44/89/43/955448943.db2.gz BJWWPXCOPLEARR-GHMZBOCLSA-N -1 0 322.365 -0.085 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1C[C@@H](O)CC(F)(F)C1)C(=O)[O-] ZINC001589019472 955452310 /nfs/dbraw/zinc/45/23/10/955452310.db2.gz DPUYTPMMRUPDBR-YUMQZZPRSA-N -1 0 308.281 -0.606 20 0 DBADRM Cn1c(Cl)cnc1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594520183 955452506 /nfs/dbraw/zinc/45/25/06/955452506.db2.gz OCVJYEWKDKYNDC-ZETCQYMHSA-N -1 0 307.759 -0.243 20 0 DBADRM COC(=O)CN([C@H]1CCN(CC(=O)[O-])C1=O)C1CCOCC1 ZINC001593850672 955454364 /nfs/dbraw/zinc/45/43/64/955454364.db2.gz OTWAEAJKKXYFEN-NSHDSACASA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@H](n2cccn2)C1)C(=O)[O-] ZINC001589019658 955456109 /nfs/dbraw/zinc/45/61/09/955456109.db2.gz HECLDJDYYIETEL-MNOVXSKESA-N -1 0 308.338 -0.164 20 0 DBADRM COC(=O)CN(C(=O)c1cnc(C(=O)[O-])cn1)C1CCOCC1 ZINC001593850899 955456393 /nfs/dbraw/zinc/45/63/93/955456393.db2.gz VNNDVYVCFYLSDS-UHFFFAOYSA-N -1 0 323.305 -0.031 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CC[C@@]2(CO)CCC[C@@H]12)C(=O)[O-] ZINC001589019693 955457173 /nfs/dbraw/zinc/45/71/73/955457173.db2.gz ILOLDQDZAXYIPU-FIXISWKDSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NC[C@@H]1COC(C)(C)O1)C(=O)[O-] ZINC001589020311 955464300 /nfs/dbraw/zinc/46/43/00/955464300.db2.gz RKHOOPIFVOVYDK-RKDXNWHRSA-N -1 0 302.327 -0.567 20 0 DBADRM C[C@H](CN(C)C(=O)CNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC001589020951 955471051 /nfs/dbraw/zinc/47/10/51/955471051.db2.gz QDJBBMNGCHJOFS-SECBINFHSA-N -1 0 315.351 -0.461 20 0 DBADRM Cn1c2ccccc2n(CCC(=O)OCC(=O)C(=O)[O-])c1=O ZINC001594524211 955490991 /nfs/dbraw/zinc/49/09/91/955490991.db2.gz AEOQOMLJPCYZQM-UHFFFAOYSA-N -1 0 306.274 -0.073 20 0 DBADRM Cn1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(=O)n(C)c1=O ZINC001594527184 955510728 /nfs/dbraw/zinc/51/07/28/955510728.db2.gz XBBMNJBZOAFWDW-VHSXEESVSA-N -1 0 321.333 -0.733 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001594529604 955514511 /nfs/dbraw/zinc/51/45/11/955514511.db2.gz ILZHGOQCXPEUSA-JTQLQIEISA-N -1 0 305.294 -0.587 20 0 DBADRM C[C@H](CN(C)C(=O)c1ccnc2c(C(N)=O)cnn21)C(=O)[O-] ZINC001589031362 955520386 /nfs/dbraw/zinc/52/03/86/955520386.db2.gz BRYNFJSINIVYHO-SSDOTTSWSA-N -1 0 305.294 -0.379 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)Nc1n[nH]cc1C(=O)[O-])c2=O ZINC001594530214 955522714 /nfs/dbraw/zinc/52/27/14/955522714.db2.gz FRONZXLXLJYZPP-UHFFFAOYSA-N -1 0 316.277 -0.054 20 0 DBADRM C[C@@H](CN(C)S(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)[O-] ZINC001589033310 955534501 /nfs/dbraw/zinc/53/45/01/955534501.db2.gz BCLUUEJFDBRJPL-SKLCBMLGSA-N -1 0 301.390 -0.542 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593860639 955536585 /nfs/dbraw/zinc/53/65/85/955536585.db2.gz VZPIHAHXFFWXTI-UBJUHAIHSA-N -1 0 304.274 -0.760 20 0 DBADRM COC(=O)[C@@H](NC(=O)C1(C(=O)[O-])CCSCC1)[C@@H](C)O ZINC001593860838 955539008 /nfs/dbraw/zinc/53/90/08/955539008.db2.gz DKCGRTRYXLGUBL-SFYZADRCSA-N -1 0 305.352 -0.377 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)[C@H]3CC(=O)N3)C2)cn1 ZINC001594532982 955548873 /nfs/dbraw/zinc/54/88/73/955548873.db2.gz YRHLPDCCIHQPSG-WCABBAIRSA-N -1 0 306.322 -0.675 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1(F)F ZINC001593862504 955555180 /nfs/dbraw/zinc/55/51/80/955555180.db2.gz JLMGHKQWBKCLHS-QTSITTDLSA-N -1 0 306.221 -0.614 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@@]2(CCSC2)C1)C(=O)[O-] ZINC001589037139 955558187 /nfs/dbraw/zinc/55/81/87/955558187.db2.gz WUYYJSVVAPZDNN-RNCFNFMXSA-N -1 0 316.379 -0.442 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@]2(CCSC2)C1)C(=O)[O-] ZINC001589037137 955558637 /nfs/dbraw/zinc/55/86/37/955558637.db2.gz WUYYJSVVAPZDNN-NOZJJQNGSA-N -1 0 316.379 -0.442 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NC1CCN(CC(F)F)CC1)C(=O)[O-] ZINC001589037219 955559605 /nfs/dbraw/zinc/55/96/05/955559605.db2.gz YSTVIMGKBXABSL-QMMMGPOBSA-N -1 0 321.324 -0.331 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)C(=O)[O-] ZINC001589037177 955559764 /nfs/dbraw/zinc/55/97/64/955559764.db2.gz XOLYYSVFSODORU-RULNRJAQSA-N -1 0 314.338 -0.722 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)C(=O)[O-] ZINC001589037173 955560377 /nfs/dbraw/zinc/56/03/77/955560377.db2.gz XOLYYSVFSODORU-GPCCPHFNSA-N -1 0 314.338 -0.722 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593863179 955562653 /nfs/dbraw/zinc/56/26/53/955562653.db2.gz DGMRQQWJGIRWPK-AATLWQCWSA-N -1 0 314.338 -0.330 20 0 DBADRM COC(=O)[C@H]1CC(F)(F)CN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001593864181 955569179 /nfs/dbraw/zinc/56/91/79/955569179.db2.gz ZPVZYNJVXIKFML-JGVFFNPUSA-N -1 0 306.265 -0.446 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593865007 955571279 /nfs/dbraw/zinc/57/12/79/955571279.db2.gz FZXOGCWTHUSOCZ-ZRUFSTJUSA-N -1 0 315.322 -0.609 20 0 DBADRM COC(=O)[C@@]1(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)C[C@H](O)C1 ZINC001593865260 955573006 /nfs/dbraw/zinc/57/30/06/955573006.db2.gz IZVQWLAPAXCWFK-LFNDISMMSA-N -1 0 315.322 -0.561 20 0 DBADRM C[C@](CNC(=O)C(=O)N1CC(CO)C1)(C(=O)[O-])c1ccccc1 ZINC001589039587 955583516 /nfs/dbraw/zinc/58/35/16/955583516.db2.gz OQOWRFWAIPOPAX-MRXNPFEDSA-N -1 0 320.345 -0.404 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)Cn1cccn1 ZINC001589045068 955621466 /nfs/dbraw/zinc/62/14/66/955621466.db2.gz SMISPCAQDLROEY-NEPJUHHUSA-N -1 0 322.365 -0.041 20 0 DBADRM C[C@H](CNC(=O)COc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC001589045874 955627609 /nfs/dbraw/zinc/62/76/09/955627609.db2.gz NBPRAOGHGZGZDA-MRVPVSSYSA-N -1 0 316.335 -0.450 20 0 DBADRM C[C@H](CNC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)C(=O)[O-] ZINC001589050615 955657573 /nfs/dbraw/zinc/65/75/73/955657573.db2.gz JBVYZOIACKQSHI-HLTSFMKQSA-N -1 0 307.372 -0.727 20 0 DBADRM Cn1cc(CC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cn1 ZINC001594541812 955660536 /nfs/dbraw/zinc/66/05/36/955660536.db2.gz QUBZYQZYGHRMGT-LLVKDONJSA-N -1 0 308.338 -0.456 20 0 DBADRM Cn1cc(CC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cn1 ZINC001594541813 955660807 /nfs/dbraw/zinc/66/08/07/955660807.db2.gz QUBZYQZYGHRMGT-NSHDSACASA-N -1 0 308.338 -0.456 20 0 DBADRM COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)COCC(=O)[O-] ZINC001593875936 955669470 /nfs/dbraw/zinc/66/94/70/955669470.db2.gz LUIITHFINDYUDB-QMMMGPOBSA-N -1 0 311.294 -0.278 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])CC(=O)N1 ZINC000387311290 972116963 /nfs/dbraw/zinc/11/69/63/972116963.db2.gz QAJHJFWDBSSONQ-RXMQYKEDSA-N -1 0 305.337 -0.650 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])CCC2=O)cn1 ZINC001594545325 955681158 /nfs/dbraw/zinc/68/11/58/955681158.db2.gz CBKHZMFRMAHUBX-LKFCYVNXSA-N -1 0 324.337 -0.885 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)c3cc(C(=O)[O-])nn3C)C2)cn1 ZINC001594545343 955681588 /nfs/dbraw/zinc/68/15/88/955681588.db2.gz CNRVHZSQRPWNST-VIFPVBQESA-N -1 0 318.337 -0.140 20 0 DBADRM Cn1cc(N2CCC[C@H](OC(=O)COCC(=O)[O-])C2=O)cn1 ZINC001594546584 955688153 /nfs/dbraw/zinc/68/81/53/955688153.db2.gz VNRTYOJOSCPFSU-JTQLQIEISA-N -1 0 311.294 -0.440 20 0 DBADRM COC(=O)c1ccc(CNC(=O)C(=O)NCCC(=O)[O-])s1 ZINC001593877559 955691035 /nfs/dbraw/zinc/69/10/35/955691035.db2.gz SEDUCGJJJOEATL-UHFFFAOYSA-N -1 0 314.319 -0.258 20 0 DBADRM Cn1cc(N2CCN(CCS(=O)(=O)CC(=O)[O-])CC2)cn1 ZINC001594548994 955705431 /nfs/dbraw/zinc/70/54/31/955705431.db2.gz XMPHWEJTSSJQTK-UHFFFAOYSA-N -1 0 316.383 -0.959 20 0 DBADRM COC(=O)c1cc(NC(=O)NC[C@@](C)(O)C(=O)[O-])n(C)n1 ZINC001593881629 955714421 /nfs/dbraw/zinc/71/44/21/955714421.db2.gz JIYKLZWHSYEXKO-LLVKDONJSA-N -1 0 300.271 -0.836 20 0 DBADRM Cn1ccc(=O)n(CCCNC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c1=O ZINC001594549970 955716701 /nfs/dbraw/zinc/71/67/01/955716701.db2.gz UFVPDNYAZHTNEY-ZJUUUORDSA-N -1 0 309.322 -0.836 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC001594550032 955718570 /nfs/dbraw/zinc/71/85/70/955718570.db2.gz XVRJOJMTGBWNEI-AWEZNQCLSA-N -1 0 308.338 -0.598 20 0 DBADRM Cn1ccn2c(CCNC(=O)C3(C(=O)[O-])CCC3)nnc2c1=O ZINC001594551594 955730518 /nfs/dbraw/zinc/73/05/18/955730518.db2.gz MDCZMDZSVYENEV-UHFFFAOYSA-N -1 0 319.321 -0.658 20 0 DBADRM Cn1ccnc1-c1cc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)n[nH]1 ZINC001594551595 955730929 /nfs/dbraw/zinc/73/09/29/955730929.db2.gz MFFJMCYCPXRUEG-MRVPVSSYSA-N -1 0 304.266 -0.022 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])s1 ZINC001593885067 955739736 /nfs/dbraw/zinc/73/97/36/955739736.db2.gz FBIWUBFBWHJYBQ-SNVBAGLBSA-N -1 0 323.348 -0.351 20 0 DBADRM C[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1F)C(=O)[O-] ZINC001589064648 955744694 /nfs/dbraw/zinc/74/46/94/955744694.db2.gz UGOCUPRVVFCJKX-ZCFIWIBFSA-N -1 0 304.299 -0.076 20 0 DBADRM Cn1ccnc1[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001594555783 955757149 /nfs/dbraw/zinc/75/71/49/955757149.db2.gz LIKIUYPEHAIURS-DCAQKATOSA-N -1 0 320.349 -0.285 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001593890773 955777146 /nfs/dbraw/zinc/77/71/46/955777146.db2.gz MDGOPCHRQRJWIT-MRVPVSSYSA-N -1 0 319.339 -0.026 20 0 DBADRM Cn1cncc1[C@H](CO)NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001594557693 955777298 /nfs/dbraw/zinc/77/72/98/955777298.db2.gz SNYORMYHBGWMCM-JTQLQIEISA-N -1 0 311.338 -0.159 20 0 DBADRM Cn1cnc2c1nccc2C(=O)NCCOCCOCC(=O)[O-] ZINC001594558096 955783737 /nfs/dbraw/zinc/78/37/37/955783737.db2.gz WVMWDKXPPUIWOE-UHFFFAOYSA-N -1 0 322.321 -0.184 20 0 DBADRM Cn1cnnc1[C@H](CO)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001594558408 955785063 /nfs/dbraw/zinc/78/50/63/955785063.db2.gz GCIXRTVLQFRCEH-NSHDSACASA-N -1 0 320.305 -0.258 20 0 DBADRM Cn1cncc1CNC(=O)NCCOCCOCC(=O)[O-] ZINC001594558450 955787116 /nfs/dbraw/zinc/78/71/16/955787116.db2.gz IXHCZBJCMOTHMO-UHFFFAOYSA-N -1 0 300.315 -0.663 20 0 DBADRM Cn1cnnc1[C@H](CO)NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001594558455 955787422 /nfs/dbraw/zinc/78/74/22/955787422.db2.gz IXJMQTBCCOHYLY-VIFPVBQESA-N -1 0 312.326 -0.764 20 0 DBADRM COC(=O)c1ccncc1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001593891598 955789480 /nfs/dbraw/zinc/78/94/80/955789480.db2.gz KMAYPXKAPQFINF-JTQLQIEISA-N -1 0 322.273 -0.290 20 0 DBADRM Cn1cnn(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c1=O ZINC001594558820 955793039 /nfs/dbraw/zinc/79/30/39/955793039.db2.gz WPXBHELEFQLBDP-NSHDSACASA-N -1 0 320.305 -0.901 20 0 DBADRM Cn1cnnc1CC1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001594559245 955794338 /nfs/dbraw/zinc/79/43/38/955794338.db2.gz DLKGYGPJSARNAA-NSHDSACASA-N -1 0 321.337 -0.174 20 0 DBADRM Cn1cnnc1Cn1cc(CN2CCCC[C@H]2C(=O)[O-])nn1 ZINC001594559519 955795698 /nfs/dbraw/zinc/79/56/98/955795698.db2.gz KAILCFPVEHCXHY-NSHDSACASA-N -1 0 305.342 -0.106 20 0 DBADRM COC(=O)c1cncc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC001593893296 955797557 /nfs/dbraw/zinc/79/75/57/955797557.db2.gz HSDKLOQNRSUHBB-MRVPVSSYSA-N -1 0 323.305 -0.014 20 0 DBADRM Cn1cnnc1CCCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001594559969 955797994 /nfs/dbraw/zinc/79/79/94/955797994.db2.gz RJQBDQMNYKZWLC-UHFFFAOYSA-N -1 0 319.321 -0.576 20 0 DBADRM COC(=O)c1cncc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC001593893411 955798827 /nfs/dbraw/zinc/79/88/27/955798827.db2.gz MTWLKMUBRKLMKV-SSDOTTSWSA-N -1 0 309.278 -0.356 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N(C)CCC(=O)[O-] ZINC001589074618 955799945 /nfs/dbraw/zinc/79/99/45/955799945.db2.gz CPZZUSJXNVXPSA-ZJUUUORDSA-N -1 0 302.327 -0.770 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001589075922 955810165 /nfs/dbraw/zinc/81/01/65/955810165.db2.gz BGICBHHNPULFFY-VXNVDRBHSA-N -1 0 303.340 -0.657 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C1CC1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001589076079 955811829 /nfs/dbraw/zinc/81/18/29/955811829.db2.gz FQULSQMEFPGFPA-GXSJLCMTSA-N -1 0 318.395 -0.431 20 0 DBADRM COC(=O)c1n[nH]c2c1CN([C@H]1CCN(CC(=O)[O-])C1=O)CC2 ZINC001593894863 955818616 /nfs/dbraw/zinc/81/86/16/955818616.db2.gz JEJFFDNIASWPFW-JTQLQIEISA-N -1 0 322.321 -0.760 20 0 DBADRM COC(=O)c1nc(Cl)n([C@@H]2CCN(CC(=O)[O-])C2=O)n1 ZINC001593894814 955818829 /nfs/dbraw/zinc/81/88/29/955818829.db2.gz HBUCSJQVUCRMES-RXMQYKEDSA-N -1 0 302.674 -0.424 20 0 DBADRM COC(=O)c1nc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cs1 ZINC001593895514 955821150 /nfs/dbraw/zinc/82/11/50/955821150.db2.gz QKZIZGOMYJPBNI-NSHDSACASA-N -1 0 300.292 -0.097 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC001594564751 955830515 /nfs/dbraw/zinc/83/05/15/955830515.db2.gz CYUGBQVNNGCSAW-ZETCQYMHSA-N -1 0 301.324 -0.575 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@@H](CO)[C@H](O)c1cccnc1 ZINC001594564859 955831859 /nfs/dbraw/zinc/83/18/59/955831859.db2.gz INPSHZJYAMIJJY-CMPLNLGQSA-N -1 0 320.305 -0.662 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@@H](CO)Cc1ccncc1 ZINC001594565161 955838127 /nfs/dbraw/zinc/83/81/27/955838127.db2.gz WQKCJRVKAAOJHI-SNVBAGLBSA-N -1 0 304.306 -0.153 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@H](CO)Cc1cncs1 ZINC001594565224 955840140 /nfs/dbraw/zinc/84/01/40/955840140.db2.gz ZYPCKNUMYJPGNF-ZETCQYMHSA-N -1 0 310.335 -0.092 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCC1CS(=O)(=O)C1 ZINC001594565651 955843814 /nfs/dbraw/zinc/84/38/14/955843814.db2.gz JPYDDHBFWAYBCH-UHFFFAOYSA-N -1 0 301.324 -0.717 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)NCCCC(=O)[O-] ZINC001593899003 955854946 /nfs/dbraw/zinc/85/49/46/955854946.db2.gz YWHWDFVOHYVDFF-UHFFFAOYSA-N -1 0 300.267 -0.041 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC([C@H](O)c2ccnn2C)CC1 ZINC001593901915 955877563 /nfs/dbraw/zinc/87/75/63/955877563.db2.gz HXPGABCFPRFHCR-NWDGAFQWSA-N -1 0 311.338 -0.208 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC([C@H](O)c2ccnn2C)CC1 ZINC001593901916 955878423 /nfs/dbraw/zinc/87/84/23/955878423.db2.gz HXPGABCFPRFHCR-RYUDHWBXSA-N -1 0 311.338 -0.208 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N(CCC(F)(F)F)C[C@H](O)CO ZINC001593902022 955879434 /nfs/dbraw/zinc/87/94/34/955879434.db2.gz KSENKANUOZLOLS-NKWVEPMBSA-N -1 0 303.233 -0.780 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCSC[C@@H]2CO)CC1 ZINC000387730953 972135416 /nfs/dbraw/zinc/13/54/16/972135416.db2.gz UMPNMVRIMQTORY-NSHDSACASA-N -1 0 302.396 -0.281 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589083629 955883313 /nfs/dbraw/zinc/88/33/13/955883313.db2.gz OLDBOXZICNMIKL-ONGXEEELSA-N -1 0 316.383 -0.266 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CC[C@@H](CS(C)(=O)=O)C1 ZINC001594571669 955889476 /nfs/dbraw/zinc/88/94/76/955889476.db2.gz CNYFXAZTGWOFJS-SECBINFHSA-N -1 0 301.368 -0.015 20 0 DBADRM C[C@@H](N(C)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C(C)(C)O ZINC001589085183 955895300 /nfs/dbraw/zinc/89/53/00/955895300.db2.gz QNNWPTQIGJAMRL-MRVPVSSYSA-N -1 0 312.326 -0.476 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCOC[C@H]1C(=O)OC(C)(C)C ZINC001593904891 955899458 /nfs/dbraw/zinc/89/94/58/955899458.db2.gz CRCUDWAPFYUYLU-IUCAKERBSA-N -1 0 303.311 -0.345 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccns1 ZINC001589086879 955908849 /nfs/dbraw/zinc/90/88/49/955908849.db2.gz WNMJBGHONPTDEL-YUMQZZPRSA-N -1 0 313.335 -0.368 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(CCc2cnccn2)CC1 ZINC001593905906 955912679 /nfs/dbraw/zinc/91/26/79/955912679.db2.gz LSBBAQGPWWFHNL-GFCCVEGCSA-N -1 0 308.338 -0.737 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(CCc2cnccn2)CC1 ZINC001593905907 955913105 /nfs/dbraw/zinc/91/31/05/955913105.db2.gz LSBBAQGPWWFHNL-LBPRGKRZSA-N -1 0 308.338 -0.737 20 0 DBADRM Cn1nc(C2CC2)cc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001594575654 955915572 /nfs/dbraw/zinc/91/55/72/955915572.db2.gz GOPXWFRLLRWTSD-SNVBAGLBSA-N -1 0 322.321 -0.452 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 ZINC001593906102 955915852 /nfs/dbraw/zinc/91/58/52/955915852.db2.gz PFIJMHYOSJHWKJ-ZJUUUORDSA-N -1 0 305.352 -0.488 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC001593906241 955918356 /nfs/dbraw/zinc/91/83/56/955918356.db2.gz RDURHEPLYAGHHM-IUCAKERBSA-N -1 0 303.311 -0.345 20 0 DBADRM Cn1nc(CC(=O)NC[C@](C)(O)C(=O)[O-])c2ccccc2c1=O ZINC001594576822 955923888 /nfs/dbraw/zinc/92/38/88/955923888.db2.gz KNJKGMZXSVWOHO-HNNXBMFYSA-N -1 0 319.317 -0.572 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C ZINC001593906744 955927528 /nfs/dbraw/zinc/92/75/28/955927528.db2.gz GGYZPMNOLOPYFQ-YUMQZZPRSA-N -1 0 306.315 -0.912 20 0 DBADRM Cn1[nH]c(=O)c2c1CN(C(=O)c1cnc(C(=O)[O-])cn1)CC2 ZINC001594577340 955929883 /nfs/dbraw/zinc/92/98/83/955929883.db2.gz HXUYZNARXVWVAA-UHFFFAOYSA-N -1 0 303.278 -0.188 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001593907643 955943459 /nfs/dbraw/zinc/94/34/59/955943459.db2.gz KHKHMVWHMDGUCW-FWKUWYBHSA-N -1 0 305.352 -0.442 20 0 DBADRM Cn1ncc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1Cl ZINC001594578589 955943982 /nfs/dbraw/zinc/94/39/82/955943982.db2.gz ZKVVZUINWMKKEC-UHFFFAOYSA-N -1 0 300.702 -0.558 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC001593907712 955944190 /nfs/dbraw/zinc/94/41/90/955944190.db2.gz NAQCMGIFZIXRTJ-GARJFASQSA-N -1 0 301.339 -0.230 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1nncn1C ZINC001589091625 955946454 /nfs/dbraw/zinc/94/64/54/955946454.db2.gz FDIFNOMWPVHKRH-RKDXNWHRSA-N -1 0 309.326 -0.685 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC001593908075 955948045 /nfs/dbraw/zinc/94/80/45/955948045.db2.gz RJPUVWPFRUIWTK-KWQFWETISA-N -1 0 313.331 -0.227 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1ccccc1S(C)(=O)=O ZINC001593908867 955954907 /nfs/dbraw/zinc/95/49/07/955954907.db2.gz NFNCNTXWZMIGFD-JTQLQIEISA-N -1 0 301.320 -0.194 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC001593909287 955959758 /nfs/dbraw/zinc/95/97/58/955959758.db2.gz VKPMFKPDYODYST-LKFCYVNXSA-N -1 0 321.289 -0.416 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN1CCC[C@]2(C1)NC(=O)NC2=O ZINC001594580892 955966316 /nfs/dbraw/zinc/96/63/16/955966316.db2.gz HWWZDDHHYPGCOD-CYBMUJFWSA-N -1 0 307.310 -0.708 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC001594581238 955973147 /nfs/dbraw/zinc/97/31/47/955973147.db2.gz OQEMRMBVOWGLRQ-SECBINFHSA-N -1 0 316.383 -0.381 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC001593912679 955982785 /nfs/dbraw/zinc/98/27/85/955982785.db2.gz LNBUYHQEDXNEPR-BXKDBHETSA-N -1 0 320.301 -0.070 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC001593913505 955996088 /nfs/dbraw/zinc/99/60/88/955996088.db2.gz ZIPMRYCCGNQTLA-LLVKDONJSA-N -1 0 321.289 -0.224 20 0 DBADRM Cn1ncc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1C1CC1 ZINC001594586398 956001617 /nfs/dbraw/zinc/00/16/17/956001617.db2.gz LMGBJSKBAFNNMF-JTQLQIEISA-N -1 0 322.321 -0.452 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)O[C@@H](C)CS(=O)(=O)N1CCCC1 ZINC001593914041 956005649 /nfs/dbraw/zinc/00/56/49/956005649.db2.gz DIGROSYLJPNHGC-IUCAKERBSA-N -1 0 309.340 -0.557 20 0 DBADRM C[C@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)c1nnnn1C ZINC001589102373 956010767 /nfs/dbraw/zinc/01/07/67/956010767.db2.gz MGQZETKDDMZAKK-QMMMGPOBSA-N -1 0 312.330 -0.548 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@H](CO)c1nc(-c2ccccc2)no1 ZINC001593915027 956012556 /nfs/dbraw/zinc/01/25/56/956012556.db2.gz BYSAJHHEHQLYDA-NXEZZACHSA-N -1 0 321.289 -0.014 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)O[C@@H]1CCN(C2CCOCC2)C1=O ZINC001593915812 956020205 /nfs/dbraw/zinc/02/02/05/956020205.db2.gz RWMCCWKKKYBPKR-ZJUUUORDSA-N -1 0 301.295 -0.591 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)COCc1cc[nH]c(=O)c1)C(=O)[O-] ZINC001594589499 956038679 /nfs/dbraw/zinc/03/86/79/956038679.db2.gz XJAZUIUENLAXKO-CYBMUJFWSA-N -1 0 320.305 -0.021 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC(O)(c2ncnn2C)CC1 ZINC001593918589 956052047 /nfs/dbraw/zinc/05/20/47/956052047.db2.gz NSXWTLNFVAZYMP-GFCCVEGCSA-N -1 0 312.326 -0.885 20 0 DBADRM Cn1nccc1[C@H](NC(=O)c1cnn2c1NCCC2)C(=O)[O-] ZINC001594590612 956056400 /nfs/dbraw/zinc/05/64/00/956056400.db2.gz UOIPSBBQCUFZQN-JTQLQIEISA-N -1 0 304.310 -0.012 20 0 DBADRM Cn1nccc1[C@H](O)CNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001594592029 956058960 /nfs/dbraw/zinc/05/89/60/956058960.db2.gz ASWHIRQQHNLLNI-LLVKDONJSA-N -1 0 311.338 -0.159 20 0 DBADRM Cn1nccc1[C@H]1CCCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC001594593256 956067138 /nfs/dbraw/zinc/06/71/38/956067138.db2.gz SCPLOVAICLFZOK-JTQLQIEISA-N -1 0 308.338 -0.283 20 0 DBADRM CO[C@@H](C(=O)OC(C)(C)C)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001593920818 956076037 /nfs/dbraw/zinc/07/60/37/956076037.db2.gz RPCKJHJWDCTLJB-DTWKUNHWSA-N -1 0 303.311 -0.345 20 0 DBADRM C[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)[C@H](C)N1CCOCC1 ZINC001589119815 956108590 /nfs/dbraw/zinc/10/85/90/956108590.db2.gz BCZLCYFQNSOYTI-ZJUUUORDSA-N -1 0 311.342 -0.798 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC001594597848 956110429 /nfs/dbraw/zinc/11/04/29/956110429.db2.gz FWZLGEQLADSVAZ-IHWYPQMZSA-N -1 0 318.289 -0.151 20 0 DBADRM Cn1nncc1C(=O)COC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001594598208 956111342 /nfs/dbraw/zinc/11/13/42/956111342.db2.gz MWZDACRGOPNTJB-UHFFFAOYSA-N -1 0 311.294 -0.188 20 0 DBADRM Cn1nncc1NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594598254 956113230 /nfs/dbraw/zinc/11/32/30/956113230.db2.gz PNAKKURNJCFKEW-UHFFFAOYSA-N -1 0 302.312 -0.967 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC001594598866 956117264 /nfs/dbraw/zinc/11/72/64/956117264.db2.gz CRZMLGGESNVPAT-UHFFFAOYSA-N -1 0 309.326 -0.717 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCS(=O)(=O)C(F)(F)F ZINC001593925884 956124632 /nfs/dbraw/zinc/12/46/32/956124632.db2.gz MQKZZCMTUKNAAU-ZETCQYMHSA-N -1 0 307.246 -0.473 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCS(=O)(=O)C(F)(F)F ZINC001593925883 956124807 /nfs/dbraw/zinc/12/48/07/956124807.db2.gz MQKZZCMTUKNAAU-SSDOTTSWSA-N -1 0 307.246 -0.473 20 0 DBADRM Cn1nnnc1CCCNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594601031 956130058 /nfs/dbraw/zinc/13/00/58/956130058.db2.gz IYIHWJKEQPKKTD-UWVGGRQHSA-N -1 0 311.342 -0.471 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CCOC[C@@H]2CC(=O)[O-])CC1=O ZINC000388139767 972156989 /nfs/dbraw/zinc/15/69/89/972156989.db2.gz FYAHDKFZMIQVEQ-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C ZINC001593928073 956149357 /nfs/dbraw/zinc/14/93/57/956149357.db2.gz SCTOBDGHKGDIKG-AMIZOPFISA-N -1 0 320.342 -0.522 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CCSC[C@@H]1CO ZINC000388206087 972160249 /nfs/dbraw/zinc/16/02/49/972160249.db2.gz PGSVCERJYFWDFW-LURJTMIESA-N -1 0 324.405 -0.060 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)OCC(=O)NC(=O)c1ccccc1 ZINC001593931906 956191821 /nfs/dbraw/zinc/19/18/21/956191821.db2.gz XGZKDIVPXLNVSO-CQSZACIVSA-N -1 0 309.274 -0.024 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593935882 956220867 /nfs/dbraw/zinc/22/08/67/956220867.db2.gz QSYMSMDCLAWKOC-CABZTGNLSA-N -1 0 307.368 -0.226 20 0 DBADRM CO[C@@H](C)CN(C)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593937713 956235781 /nfs/dbraw/zinc/23/57/81/956235781.db2.gz FADLIVBURKPPGJ-VIFPVBQESA-N -1 0 307.368 -0.241 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001593938015 956240893 /nfs/dbraw/zinc/24/08/93/956240893.db2.gz AOJMULKDXWZUOM-HBNTYKKESA-N -1 0 314.338 -0.913 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1cc(F)c(F)cc1F)C(=O)[O-] ZINC001589137971 956241014 /nfs/dbraw/zinc/24/10/14/956241014.db2.gz FGMNUBDDAGDOCG-LBPRGKRZSA-N -1 0 320.223 -0.006 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C(F)(F)F ZINC001593939224 956262480 /nfs/dbraw/zinc/26/24/80/956262480.db2.gz ZFWMEZXGLBDRGD-BQBZGAKWSA-N -1 0 314.260 -0.141 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1ccc2ccccc2c1=O)C(=O)[O-] ZINC001589140211 956263204 /nfs/dbraw/zinc/26/32/04/956263204.db2.gz FVUGFKANDGWVCN-OAHLLOKOSA-N -1 0 304.302 -0.047 20 0 DBADRM C[C@](O)(CNC(=O)c1cc2c([nH]c1=O)CCCC2=O)C(=O)[O-] ZINC001589144146 956273197 /nfs/dbraw/zinc/27/31/97/956273197.db2.gz CPQNSWZUGGOYDV-AWEZNQCLSA-N -1 0 308.290 -0.128 20 0 DBADRM C[C@](O)(CNC(=O)c1cc(S(N)(=O)=O)ccc1F)C(=O)[O-] ZINC001589144499 956278211 /nfs/dbraw/zinc/27/82/11/956278211.db2.gz QHLQEMIHCKOCQA-NSHDSACASA-N -1 0 320.298 -0.962 20 0 DBADRM C[C@](O)(CNC(=O)Nc1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC001589144474 956278586 /nfs/dbraw/zinc/27/85/86/956278586.db2.gz PVNBTUDMNMESRI-ZDUSSCGKSA-N -1 0 311.294 -0.492 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC001589146225 956288235 /nfs/dbraw/zinc/28/82/35/956288235.db2.gz FGMUMQHHDMCDTD-QTAHKJALSA-N -1 0 312.366 -0.025 20 0 DBADRM COC1(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)CS(=O)(=O)C1 ZINC001593943014 956293748 /nfs/dbraw/zinc/29/37/48/956293748.db2.gz AXKJVVNPWKJQGL-UHFFFAOYSA-N -1 0 315.303 -0.158 20 0 DBADRM C[C@](O)(CNC(=O)c1cnn(-c2ccccn2)c1N)C(=O)[O-] ZINC001589146635 956295543 /nfs/dbraw/zinc/29/55/43/956295543.db2.gz HIELHXQTPBULPT-ZDUSSCGKSA-N -1 0 305.294 -0.585 20 0 DBADRM COC1(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CCC1 ZINC001593943249 956297238 /nfs/dbraw/zinc/29/72/38/956297238.db2.gz BYSXBRBAVIMAKP-VIFPVBQESA-N -1 0 305.352 -0.344 20 0 DBADRM COC1(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CS(=O)(=O)C1 ZINC001593943751 956303906 /nfs/dbraw/zinc/30/39/06/956303906.db2.gz RCDTWXMJELIDPK-VIFPVBQESA-N -1 0 307.368 -0.337 20 0 DBADRM COC1(C(=O)Nc2cncc(C(=O)[O-])c2)CS(=O)(=O)C1 ZINC001593943798 956305633 /nfs/dbraw/zinc/30/56/33/956305633.db2.gz SDNXNZKTSAORHY-UHFFFAOYSA-N -1 0 300.292 -0.468 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CCOC1 ZINC001593943869 956306585 /nfs/dbraw/zinc/30/65/85/956306585.db2.gz SOWDNEGIMFEHFR-QMTHXVAHSA-N -1 0 316.354 -0.619 20 0 DBADRM CO[C@H](Cn1nnnc1N(C)C[C@@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC001593944554 956316673 /nfs/dbraw/zinc/31/66/73/956316673.db2.gz LLHRCGSILKDECP-OUAUKWLOSA-N -1 0 313.358 -0.119 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1ccnn1CC1CCC1)C(=O)[O-] ZINC001589147985 956317679 /nfs/dbraw/zinc/31/76/79/956317679.db2.gz MANLJVUQNHCORV-GFCCVEGCSA-N -1 0 317.367 -0.203 20 0 DBADRM COC(OC)[C@@H](C)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593944920 956318761 /nfs/dbraw/zinc/31/87/61/956318761.db2.gz QHSAMVSLRSPMJA-JRKPZEMJSA-N -1 0 302.327 -0.264 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC001589148280 956319462 /nfs/dbraw/zinc/31/94/62/956319462.db2.gz PHEDAXYTQWZCEK-LLVKDONJSA-N -1 0 303.340 -0.667 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1ccc2c(c1)COC2)C(=O)[O-] ZINC001589148647 956322595 /nfs/dbraw/zinc/32/25/95/956322595.db2.gz WGHWSLMOILIURW-LBPRGKRZSA-N -1 0 301.320 -0.169 20 0 DBADRM CO[C@@]1(CNC(=O)c2cc(C(=O)[O-])n[nH]2)CCS(=O)(=O)C1 ZINC001593945549 956323259 /nfs/dbraw/zinc/32/32/59/956323259.db2.gz BJYYFMYBPISIPW-LLVKDONJSA-N -1 0 317.323 -0.959 20 0 DBADRM CO[C@@]1(COC(=O)c2cccn(CC(=O)[O-])c2=O)CCOC1 ZINC001593945531 956324060 /nfs/dbraw/zinc/32/40/60/956324060.db2.gz AQWHQCMOYMOINX-AWEZNQCLSA-N -1 0 311.290 -0.105 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)C2(CC(=O)[O-])CCOCC2)CC1 ZINC001589151710 956324984 /nfs/dbraw/zinc/32/49/84/956324984.db2.gz ABURPQDEPQKLDX-LBPRGKRZSA-N -1 0 314.382 -0.217 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N(C[C@@H](C)O)C1CC1)C(=O)[O-] ZINC001589151969 956328914 /nfs/dbraw/zinc/32/89/14/956328914.db2.gz GCNOYXNBHGDJEZ-MWLCHTKSSA-N -1 0 300.355 -0.169 20 0 DBADRM C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001589152259 956333827 /nfs/dbraw/zinc/33/38/27/956333827.db2.gz DQTOGFCLKBPBNZ-HBNTYKKESA-N -1 0 314.338 -0.940 20 0 DBADRM C[C@@H](O)CN(C(=O)C(=O)Nc1ccccc1C(=O)[O-])[C@H](C)CO ZINC001589152314 956335745 /nfs/dbraw/zinc/33/57/45/956335745.db2.gz MVFBKJVNYQPWRZ-NXEZZACHSA-N -1 0 324.333 -0.087 20 0 DBADRM C[C@@H](O)CN(C(=O)NCC1(C(=O)[O-])CCOCC1)[C@H](C)CO ZINC001589152487 956338147 /nfs/dbraw/zinc/33/81/47/956338147.db2.gz OXDSLHCZEOLAHK-GHMZBOCLSA-N -1 0 318.370 -0.359 20 0 DBADRM C[C@H](O)CC(C)(C)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001589152818 956342353 /nfs/dbraw/zinc/34/23/53/956342353.db2.gz MCLMKSLCTIJYJY-UWVGGRQHSA-N -1 0 300.355 -0.167 20 0 DBADRM COC1(OC)CCOC[C@H]1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001593948036 956347128 /nfs/dbraw/zinc/34/71/28/956347128.db2.gz PXZMLGGVIMVAFV-SNVBAGLBSA-N -1 0 311.294 -0.317 20 0 DBADRM COC1(OC)CCN(C(=O)c2ccc(C(=O)[O-])nc2)C[C@H]1O ZINC001593948318 956352208 /nfs/dbraw/zinc/35/22/08/956352208.db2.gz ZACAHEUBAHJQNE-LLVKDONJSA-N -1 0 310.306 -0.024 20 0 DBADRM C[C@H](O)c1cn(CC(=O)NC2(CC(=O)[O-])CCOCC2)nn1 ZINC001589154493 956363986 /nfs/dbraw/zinc/36/39/86/956363986.db2.gz VQKXIMRLSLRITB-VIFPVBQESA-N -1 0 312.326 -0.529 20 0 DBADRM CO[C@H]1CC[C@@H](NC(=O)NCCOCCOCC(=O)[O-])C1 ZINC001593949891 956366549 /nfs/dbraw/zinc/36/65/49/956366549.db2.gz VLTHBVQUTMIKHO-MNOVXSKESA-N -1 0 304.343 -0.029 20 0 DBADRM CO[C@@H]1CC[C@@H](NC(=O)NCCOCCOCC(=O)[O-])C1 ZINC001593949890 956367192 /nfs/dbraw/zinc/36/71/92/956367192.db2.gz VLTHBVQUTMIKHO-GHMZBOCLSA-N -1 0 304.343 -0.029 20 0 DBADRM CO[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C[C@H]1C ZINC001593949754 956367282 /nfs/dbraw/zinc/36/72/82/956367282.db2.gz LXRTWAKHTHTIKQ-MXWKQRLJSA-N -1 0 314.338 -0.818 20 0 DBADRM NC(=O)[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)c1ccccn1 ZINC001594636234 956374429 /nfs/dbraw/zinc/37/44/29/956374429.db2.gz CRXHANHUOLYUIS-SNVBAGLBSA-N -1 0 301.262 -0.474 20 0 DBADRM NC(=O)C1(CNC(=O)c2cnc(C(=O)[O-])cn2)CCOCC1 ZINC001594636327 956375239 /nfs/dbraw/zinc/37/52/39/956375239.db2.gz FJJBGXPQCDSKME-UHFFFAOYSA-N -1 0 308.294 -0.813 20 0 DBADRM C[C@H](OC(=O)C(C)(C)C(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001589158191 956380270 /nfs/dbraw/zinc/38/02/70/956380270.db2.gz CRFROSHUNOXELZ-JGVFFNPUSA-N -1 0 321.351 -0.668 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001589158179 956380723 /nfs/dbraw/zinc/38/07/23/956380723.db2.gz CIULZDXTXIQNQO-HRDYMLBCSA-N -1 0 300.311 -0.637 20 0 DBADRM NC(=O)[C@H](F)C1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001594637157 956383019 /nfs/dbraw/zinc/38/30/19/956383019.db2.gz XCXGVEZRANYBSM-SNVBAGLBSA-N -1 0 310.285 -0.150 20 0 DBADRM NC(=O)[C@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)c1ccccn1 ZINC001594637179 956383913 /nfs/dbraw/zinc/38/39/13/956383913.db2.gz XWIOPZZBIOGZLI-OPQQBVKSSA-N -1 0 321.333 -0.006 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)C1 ZINC001594637802 956384098 /nfs/dbraw/zinc/38/40/98/956384098.db2.gz ABGYISSWYMBYHG-HLTSFMKQSA-N -1 0 313.310 -0.997 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593951238 956387245 /nfs/dbraw/zinc/38/72/45/956387245.db2.gz LUXDHQWGRRDHSK-XWLWVQCSSA-N -1 0 314.338 -0.772 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)Nc2ccnc(C(=O)[O-])c2)CCO1 ZINC001594638610 956395494 /nfs/dbraw/zinc/39/54/94/956395494.db2.gz MXIFZHMHTULYKS-VIFPVBQESA-N -1 0 308.294 -0.112 20 0 DBADRM C[C@@H](OC(=O)C(C)(C)C(=O)[O-])C(=O)NCCN1CCOCC1 ZINC001589159669 956398736 /nfs/dbraw/zinc/39/87/36/956398736.db2.gz VEYYVZBGIXHPKO-SNVBAGLBSA-N -1 0 316.354 -0.523 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)C2(C(=O)[O-])CCSCC2)CCO1 ZINC001594639289 956402892 /nfs/dbraw/zinc/40/28/92/956402892.db2.gz WHPJOQAJRFIQEY-SECBINFHSA-N -1 0 316.379 -0.313 20 0 DBADRM NC(=O)CC1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC001594639670 956407798 /nfs/dbraw/zinc/40/77/98/956407798.db2.gz ZJHUCPJAIWCSCO-UHFFFAOYSA-N -1 0 319.317 -0.414 20 0 DBADRM COC[C@H](C)n1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC001593955907 956422904 /nfs/dbraw/zinc/42/29/04/956422904.db2.gz BTZCMFCLTBCZME-UWVGGRQHSA-N -1 0 324.337 -0.038 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN([C@H](C)C(=O)[O-])C1CC1 ZINC001593956037 956425073 /nfs/dbraw/zinc/42/50/73/956425073.db2.gz ICIVWEVGQWBIFS-DTWKUNHWSA-N -1 0 301.343 -0.215 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN([C@@H](C)C(=O)[O-])C1CC1 ZINC001593956036 956425403 /nfs/dbraw/zinc/42/54/03/956425403.db2.gz ICIVWEVGQWBIFS-BDAKNGLRSA-N -1 0 301.343 -0.215 20 0 DBADRM COC[C@H](C)CS(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593956118 956426833 /nfs/dbraw/zinc/42/68/33/956426833.db2.gz JXVHEIKILGNYOX-NHCYSSNCSA-N -1 0 307.368 -0.368 20 0 DBADRM NC(=O)Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC001594642445 956430153 /nfs/dbraw/zinc/43/01/53/956430153.db2.gz PBMVTTLNZMHDJP-LLVKDONJSA-N -1 0 319.317 -0.272 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)COC(=O)C(C)(C)C(=O)[O-] ZINC001593956399 956430787 /nfs/dbraw/zinc/43/07/87/956430787.db2.gz VQOFJLWFIQCVPS-SSDOTTSWSA-N -1 0 304.299 -0.499 20 0 DBADRM NC(=O)Cc1ccc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1 ZINC001594642680 956432755 /nfs/dbraw/zinc/43/27/55/956432755.db2.gz YSIGOXWUNOMWET-NSHDSACASA-N -1 0 305.290 -0.440 20 0 DBADRM COC[C@H](Cn1nnnc1N1C[C@@H](C)C[C@H](C(=O)[O-])C1)OC ZINC001593956525 956433109 /nfs/dbraw/zinc/43/31/09/956433109.db2.gz AQACRFJLVQKYMO-DCAQKATOSA-N -1 0 313.358 -0.119 20 0 DBADRM NC(=O)N[C@H]1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC001594647298 956439789 /nfs/dbraw/zinc/43/97/89/956439789.db2.gz DGFVXIKAJPDHHP-VIFPVBQESA-N -1 0 314.342 -0.983 20 0 DBADRM COC[C@H](Cn1nnnc1N1CC[C@H](C)[C@@H](C(=O)[O-])C1)OC ZINC001593957005 956440343 /nfs/dbraw/zinc/44/03/43/956440343.db2.gz OCQZCPWMDLDVJQ-DCAQKATOSA-N -1 0 313.358 -0.119 20 0 DBADRM COC[C@H](CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)OC ZINC001593957150 956443207 /nfs/dbraw/zinc/44/32/07/956443207.db2.gz AVQIKEMXURQWAF-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000388654035 972184546 /nfs/dbraw/zinc/18/45/46/972184546.db2.gz SDHHWAZOACYVPJ-SNVBAGLBSA-N -1 0 313.354 -0.225 20 0 DBADRM COC[C@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)[C@H]1CCCO1 ZINC001593957328 956445568 /nfs/dbraw/zinc/44/55/68/956445568.db2.gz MLUNKARYFFQASL-NWDGAFQWSA-N -1 0 324.333 -0.143 20 0 DBADRM COC[C@@H](CS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C)OC ZINC001593957406 956446445 /nfs/dbraw/zinc/44/64/45/956446445.db2.gz SMTPILHPJSEJQN-WCBMZHEXSA-N -1 0 321.355 -0.873 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NC(=O)NCCOCCOCC(=O)[O-])C1 ZINC001594647762 956448184 /nfs/dbraw/zinc/44/81/84/956448184.db2.gz GDWJXNNBZCOBCS-VHSXEESVSA-N -1 0 317.342 -0.943 20 0 DBADRM COC[C@@H](O)CCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001593957690 956450126 /nfs/dbraw/zinc/45/01/26/956450126.db2.gz SKFUMDROEZBHPU-JTQLQIEISA-N -1 0 304.343 -0.436 20 0 DBADRM COCC(COC)N1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC001593958165 956457956 /nfs/dbraw/zinc/45/79/56/956457956.db2.gz QLEBLPJTZJDBSO-UHFFFAOYSA-N -1 0 303.359 -0.550 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@H]2CCCO2)C1 ZINC001593958521 956464553 /nfs/dbraw/zinc/46/45/53/956464553.db2.gz FTLUYBCDKHMGAK-QMTHXVAHSA-N -1 0 314.338 -0.769 20 0 DBADRM NC(=O)c1cccc(C(=O)NCCOCCOCC(=O)[O-])c1 ZINC001594650113 956468427 /nfs/dbraw/zinc/46/84/27/956468427.db2.gz MJMPOIVYPQRINO-UHFFFAOYSA-N -1 0 310.306 -0.367 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2cccn2C)C1 ZINC001593959217 956470479 /nfs/dbraw/zinc/47/04/79/956470479.db2.gz UDQGAVHJQYXMQL-OAHLLOKOSA-N -1 0 323.349 -0.409 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001593961433 956485353 /nfs/dbraw/zinc/48/53/53/956485353.db2.gz BREJAYSMZVGUDE-MFKMUULPSA-N -1 0 319.379 -0.097 20 0 DBADRM NC(=O)c1csc(CNC(=O)C2(C(=O)[O-])CCOCC2)n1 ZINC001594653316 956486071 /nfs/dbraw/zinc/48/60/71/956486071.db2.gz JNBVMXWRMFRLNE-UHFFFAOYSA-N -1 0 313.335 -0.260 20 0 DBADRM NS(=O)(=O)C1CCN(C(=O)C2(CC(=O)[O-])CCC2)CC1 ZINC001594654563 956496986 /nfs/dbraw/zinc/49/69/86/956496986.db2.gz SASHQZCXOURTSK-UHFFFAOYSA-N -1 0 304.368 -0.089 20 0 DBADRM N#Cc1cccc(S(=O)(=O)CCN2C[C@@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000388753690 972189788 /nfs/dbraw/zinc/18/97/88/972189788.db2.gz DSMDSNNYNURJHT-WCQYABFASA-N -1 0 324.358 -0.148 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCC[C@H]2CNC(=O)C2)C1 ZINC001593963155 956512315 /nfs/dbraw/zinc/51/23/15/956512315.db2.gz IRWOREHYRIWTJZ-YGRLFVJLSA-N -1 0 313.354 -0.355 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NC2CN(C(=O)OC)C2)C1 ZINC001593963210 956513742 /nfs/dbraw/zinc/51/37/42/956513742.db2.gz LULFASVVKQYBAN-CYBMUJFWSA-N -1 0 315.326 -0.430 20 0 DBADRM COCC1=CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)CC1 ZINC000388764224 972190968 /nfs/dbraw/zinc/19/09/68/972190968.db2.gz FQCGECYIPJQYGJ-UHFFFAOYSA-N -1 0 309.326 -0.036 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001593966102 956539868 /nfs/dbraw/zinc/53/98/68/956539868.db2.gz YBUDYIHZPVLDGC-CQSZACIVSA-N -1 0 320.305 -0.002 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1C(=O)Cn1ncn2nccc2c1=O ZINC001589185182 956557795 /nfs/dbraw/zinc/55/77/95/956557795.db2.gz YFONNBZOZMWUND-CYBMUJFWSA-N -1 0 305.294 -0.643 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@]3(CCOC3)C2)C1 ZINC001589187423 956567203 /nfs/dbraw/zinc/56/72/03/956567203.db2.gz RUTJFLDKHZIWJC-CABCVRRESA-N -1 0 310.350 -0.051 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](O)C(F)(F)C2)C1 ZINC001589187560 956569699 /nfs/dbraw/zinc/56/96/99/956569699.db2.gz VXBQTXMSYALSQM-PELKAZGASA-N -1 0 320.292 -0.462 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccnc3c2nnn3C)C1 ZINC001593967349 956569703 /nfs/dbraw/zinc/56/97/03/956569703.db2.gz GFBIAQOAOHOGET-AWEZNQCLSA-N -1 0 319.321 -0.073 20 0 DBADRM Nc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c(F)c1 ZINC001594665492 956571466 /nfs/dbraw/zinc/57/14/66/956571466.db2.gz DSKRTICMTNSREK-VIFPVBQESA-N -1 0 304.299 -0.118 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC2(CC(N)=O)CC2)C1 ZINC001589188182 956574735 /nfs/dbraw/zinc/57/47/35/956574735.db2.gz VHSCJKWTSLDDME-ZDUSSCGKSA-N -1 0 311.338 -0.919 20 0 DBADRM Nc1nc(C(=O)NCCCCC(=O)[O-])nc(N2CCOCC2)n1 ZINC001594666082 956576464 /nfs/dbraw/zinc/57/64/64/956576464.db2.gz BJHKKARYYADISC-UHFFFAOYSA-N -1 0 324.341 -0.725 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1CCC3N=NC(=O)N3C1)C2 ZINC001594666996 956585198 /nfs/dbraw/zinc/58/51/98/956585198.db2.gz ACHDPOALBRUKEC-ITMYJUKJSA-N -1 0 322.321 -0.894 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C(C)(C)OC(C)=O)CCO1 ZINC001593969601 956593232 /nfs/dbraw/zinc/59/32/32/956593232.db2.gz AFEYBJUCGCACMR-CYBMUJFWSA-N -1 0 303.311 -0.343 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1CCc3nnnn3CC1)C2 ZINC001594667888 956594780 /nfs/dbraw/zinc/59/47/80/956594780.db2.gz NEFKCZJLCFZLHM-BFVZDQMLSA-N -1 0 321.337 -0.815 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C(C)(C)CNC(C)=O)CCO1 ZINC001593969892 956597835 /nfs/dbraw/zinc/59/78/35/956597835.db2.gz HRMZGYZLIBEFDF-CQSZACIVSA-N -1 0 316.354 -0.523 20 0 DBADRM Nc1nnc([C@@H]2CCCN([C@@H]3CCN(CC(=O)[O-])C3=O)C2)o1 ZINC001594668409 956599504 /nfs/dbraw/zinc/59/95/04/956599504.db2.gz WDRPNDOILKVSQS-RKDXNWHRSA-N -1 0 309.326 -0.483 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NC[C@H]2CCCO2)CCO1 ZINC001593970503 956607510 /nfs/dbraw/zinc/60/75/10/956607510.db2.gz KIWNFVFQRSJDFR-MFKMUULPSA-N -1 0 302.327 -0.323 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H]2CCc3cncn3C2)CCO1 ZINC001593971135 956617077 /nfs/dbraw/zinc/61/70/77/956617077.db2.gz FAWBGZYEUIOPLO-NHYWBVRUSA-N -1 0 323.349 -0.226 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C[C@H]2CCC(=O)NC2)CCO1 ZINC001593971402 956621173 /nfs/dbraw/zinc/62/11/73/956621173.db2.gz GAOKUNMEWJEBCP-YGRLFVJLSA-N -1 0 314.338 -0.769 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C[C@@H]2CCCC(=O)N2)CCO1 ZINC001593971427 956622090 /nfs/dbraw/zinc/62/20/90/956622090.db2.gz GKWWNTJMEVTLFD-IINYFYTJSA-N -1 0 314.338 -0.626 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)CCO1 ZINC001593971411 956622174 /nfs/dbraw/zinc/62/21/74/956622174.db2.gz GCWOYPFPEHPIHZ-BQVMBELUSA-N -1 0 311.334 -0.070 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCn3ccnc3C2)CCO1 ZINC001593971962 956628542 /nfs/dbraw/zinc/62/85/42/956628542.db2.gz ILDGKKKOMUKBLJ-IAQYHMDHSA-N -1 0 323.349 -0.226 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCCc2cn[nH]c2)CCO1 ZINC001593972235 956631519 /nfs/dbraw/zinc/63/15/19/956631519.db2.gz RPCOLMVKCSFIFD-CYBMUJFWSA-N -1 0 312.326 -0.536 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)COCc2cccnc2)CCO1 ZINC001593972683 956635145 /nfs/dbraw/zinc/63/51/45/956635145.db2.gz HDYDYDMJUFZLQO-OAHLLOKOSA-N -1 0 324.333 -0.073 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCC[C@@H](C)OC)CCO1 ZINC001593973043 956638648 /nfs/dbraw/zinc/63/86/48/956638648.db2.gz UVYPXVTVGQEOIH-ZWNOBZJWSA-N -1 0 304.343 -0.077 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CN(C)C(=O)C2CC2)CCO1 ZINC001593973664 956644480 /nfs/dbraw/zinc/64/44/80/956644480.db2.gz KULWNHJEUAMLJE-CQSZACIVSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@]1(C(N)=O)CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001589202831 956644800 /nfs/dbraw/zinc/64/48/00/956644800.db2.gz FFQMBIUNNYFSTL-LKFCYVNXSA-N -1 0 311.338 -0.967 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CCO1 ZINC001593974449 956651606 /nfs/dbraw/zinc/65/16/06/956651606.db2.gz QJDJFNYBHBIZRW-BXUZGUMPSA-N -1 0 318.345 -0.251 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@]2(OC)CCSC2)CCO1 ZINC001593974422 956651830 /nfs/dbraw/zinc/65/18/30/956651830.db2.gz QFBCNQUSTRNZMT-QWHCGFSZSA-N -1 0 319.379 -0.163 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H](O)CCSC)CCO1 ZINC001593975504 956660620 /nfs/dbraw/zinc/66/06/20/956660620.db2.gz QMRPVOAIYYJXLP-BXKDBHETSA-N -1 0 307.368 -0.571 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CN2CCCCC2=O)CCO1 ZINC001593975868 956663251 /nfs/dbraw/zinc/66/32/51/956663251.db2.gz UJZCJLKEARIHMB-CQSZACIVSA-N -1 0 314.338 -0.673 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C2=C[S@@](=O)CCC2)CCO1 ZINC001593976321 956667203 /nfs/dbraw/zinc/66/72/03/956667203.db2.gz XIHGHQJYSBMGAB-ZSEKCTLFSA-N -1 0 317.363 -0.259 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCn3cncc3C2)CCO1 ZINC001593976751 956671243 /nfs/dbraw/zinc/67/12/43/956671243.db2.gz ZJWIXOJRIDKHFJ-IAQYHMDHSA-N -1 0 323.349 -0.226 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2c[nH]c(C(N)=O)c2)CCO1 ZINC001593976895 956672812 /nfs/dbraw/zinc/67/28/12/956672812.db2.gz GQPBUYKMQUPUMT-CYBMUJFWSA-N -1 0 311.294 -0.944 20 0 DBADRM CC1(C)C[C@H](NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCS1(=O)=O ZINC001589211212 956689251 /nfs/dbraw/zinc/68/92/51/956689251.db2.gz DPSYATYEIRZPEA-VXNVDRBHSA-N -1 0 318.351 -0.312 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC001589211410 956691133 /nfs/dbraw/zinc/69/11/33/956691133.db2.gz KWQAMKZRJUQGDH-QPUJVOFHSA-N -1 0 304.368 -0.376 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H]2OCCO[C@@H]2C)CCO1 ZINC001593979068 956695105 /nfs/dbraw/zinc/69/51/05/956695105.db2.gz ZKUINMURFZKFEA-BREBYQMCSA-N -1 0 303.311 -0.881 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)OCC1(C(=O)[O-])CCOCC1 ZINC001594686753 956715302 /nfs/dbraw/zinc/71/53/02/956715302.db2.gz HWZYNGMEUIFAIP-UHFFFAOYSA-N -1 0 313.306 -0.050 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cn(C)nc2OC)CCO1 ZINC001593982654 956722157 /nfs/dbraw/zinc/72/21/57/956722157.db2.gz IVXUYRXBFILLOJ-CYBMUJFWSA-N -1 0 313.310 -0.629 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NC[C@]1(OCCO)CCOC1 ZINC001589217295 956732321 /nfs/dbraw/zinc/73/23/21/956732321.db2.gz HCECSEPZWGJJTF-ZIAGYGMSSA-N -1 0 301.339 -0.229 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2CC=C(C)C)CCO1 ZINC001593984022 956741000 /nfs/dbraw/zinc/74/10/00/956741000.db2.gz DTNLXDWLNKBMKJ-ZDUSSCGKSA-N -1 0 311.342 -0.054 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2ccc(C(=O)N(C)C)nn2)CCO1 ZINC001593983959 956741043 /nfs/dbraw/zinc/74/10/43/956741043.db2.gz DHOUDBVBXPNGGW-AWEZNQCLSA-N -1 0 324.337 -0.515 20 0 DBADRM O=C(CCc1nc(-c2nc[nH]n2)no1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594690410 956747203 /nfs/dbraw/zinc/74/72/03/956747203.db2.gz QUISTEXGWBLVLW-LJGSYFOKSA-N -1 0 306.282 -0.233 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCCCCn1cc(C(N)=O)nn1 ZINC001589218775 956748665 /nfs/dbraw/zinc/74/86/65/956748665.db2.gz YKAURJGSAZQBSQ-CQSZACIVSA-N -1 0 323.353 -0.226 20 0 DBADRM O=C(CN1CCCC2(CC2)S1(=O)=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594692446 956756543 /nfs/dbraw/zinc/75/65/43/956756543.db2.gz OXKJWVYOKFXERY-MGCOHNPYSA-N -1 0 316.379 -0.076 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2C[C@H]2C=CCC2)CCO1 ZINC001593984895 956757182 /nfs/dbraw/zinc/75/71/82/956757182.db2.gz LREWHCOQLOOSFL-FZMZJTMJSA-N -1 0 323.353 -0.054 20 0 DBADRM COC[C@@]1(C(=O)OC)CCCN1C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001593984974 956758559 /nfs/dbraw/zinc/75/85/59/956758559.db2.gz NYBIATKQSDJPPC-CYBMUJFWSA-N -1 0 311.294 -0.098 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2cncc(-n3cccn3)n2)CCO1 ZINC001593984964 956758724 /nfs/dbraw/zinc/75/87/24/956758724.db2.gz NXBDBWADKRMFQE-CQSZACIVSA-N -1 0 319.321 -0.031 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C[C@H]2CCS(=O)(=O)C2)CCO1 ZINC001593985108 956761760 /nfs/dbraw/zinc/76/17/60/956761760.db2.gz CXERNQSAAGGRIH-ZYHUDNBSSA-N -1 0 307.368 -0.777 20 0 DBADRM O=C(CN1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1)NC1CC1 ZINC001594695909 956770960 /nfs/dbraw/zinc/77/09/60/956770960.db2.gz GDAONBDKLYYIFA-UMSPYCQHSA-N -1 0 324.381 -0.545 20 0 DBADRM O=C(CN1CCOC1=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594696279 956772966 /nfs/dbraw/zinc/77/29/66/956772966.db2.gz MFWUFKHFBKAJAY-XIRUVYRFSA-N -1 0 312.322 -0.033 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CN1CCOCC1=O ZINC001594696294 956773309 /nfs/dbraw/zinc/77/33/09/956773309.db2.gz MWJRLBVFTFIAJJ-GFCCVEGCSA-N -1 0 306.318 -0.343 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CN1CCSC1=O)C2 ZINC001594696400 956774297 /nfs/dbraw/zinc/77/42/97/956774297.db2.gz UNMAHGAIGAWVFP-UFBFGSQYSA-N -1 0 300.336 -0.285 20 0 DBADRM O=C([O-])[C@]1(NC(=O)CNC(=O)c2ccc(F)cc2)CCOC1 ZINC001594697329 956784395 /nfs/dbraw/zinc/78/43/95/956784395.db2.gz DSEITGGZUXSOKL-AWEZNQCLSA-N -1 0 310.281 -0.085 20 0 DBADRM CN1CC(=O)N(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])C1=O ZINC000389241969 972213810 /nfs/dbraw/zinc/21/38/10/972213810.db2.gz DLCMCSUDRQHLRX-AUTRQRHGSA-N -1 0 309.322 -0.408 20 0 DBADRM O=C([O-])C1(CNC(=O)CNC(=O)c2ccccn2)CCOCC1 ZINC001594697690 956790730 /nfs/dbraw/zinc/79/07/30/956790730.db2.gz OQCOVXUXVJRROW-UHFFFAOYSA-N -1 0 321.333 -0.191 20 0 DBADRM O=C([O-])C(=O)COC(=O)CNS(=O)(=O)c1ccccc1F ZINC001594698147 956794934 /nfs/dbraw/zinc/79/49/34/956794934.db2.gz ZHFWTAMULVQACT-UHFFFAOYSA-N -1 0 319.266 -0.699 20 0 DBADRM CC1(C)CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCO1 ZINC001589226607 956804571 /nfs/dbraw/zinc/80/45/71/956804571.db2.gz DHWLCPKPIOMVKA-UHFFFAOYSA-N -1 0 319.379 -0.097 20 0 DBADRM COC[C@@]1(CO)CCN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001593988203 956807006 /nfs/dbraw/zinc/80/70/06/956807006.db2.gz WOWRIGFEARVPKN-ZDUSSCGKSA-N -1 0 301.339 -0.275 20 0 DBADRM COCC1CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001593989570 956821243 /nfs/dbraw/zinc/82/12/43/956821243.db2.gz UIHNACPHEXBPEN-UHFFFAOYSA-N -1 0 305.352 -0.629 20 0 DBADRM CC1(C)COC(=O)[C@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001589231665 956827287 /nfs/dbraw/zinc/82/72/87/956827287.db2.gz CKMKICIIPGRGOT-SECBINFHSA-N -1 0 320.367 -0.431 20 0 DBADRM COC[C@H]1COCCN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001593989943 956827348 /nfs/dbraw/zinc/82/73/48/956827348.db2.gz MGAFLCNWYZTITN-NSHDSACASA-N -1 0 316.354 -0.075 20 0 DBADRM CC1(C)COC(=O)[C@@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001589231668 956828340 /nfs/dbraw/zinc/82/83/40/956828340.db2.gz CKMKICIIPGRGOT-VIFPVBQESA-N -1 0 320.367 -0.431 20 0 DBADRM CC1(C)CN(CCNC(=O)[C@]2(C(=O)[O-])CCCO2)CCO1 ZINC001589231626 956828445 /nfs/dbraw/zinc/82/84/45/956828445.db2.gz WFLVNVYHYHWNJS-AWEZNQCLSA-N -1 0 300.355 -0.153 20 0 DBADRM CC1(C)NC(=O)N(CCCNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1=O ZINC001589232404 956836896 /nfs/dbraw/zinc/83/68/96/956836896.db2.gz IRBLKTRUAGEQNX-RKDXNWHRSA-N -1 0 311.338 -0.066 20 0 DBADRM COCC[C@H](NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)C(N)=O ZINC001593991341 956851906 /nfs/dbraw/zinc/85/19/06/956851906.db2.gz ZWDNZAIQCDKUPN-UTLUCORTSA-N -1 0 302.327 -0.737 20 0 DBADRM C[C@@]1(CCC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCC(=O)N1 ZINC001589238901 956853806 /nfs/dbraw/zinc/85/38/06/956853806.db2.gz DKOLVMLTCABRFO-LKTVYLICSA-N -1 0 310.350 -0.005 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1=O ZINC001589239063 956855337 /nfs/dbraw/zinc/85/53/37/956855337.db2.gz BWBIVNINYDEHRS-KEMSKJLVSA-N -1 0 309.322 -0.314 20 0 DBADRM CC1(CCNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)OCCO1 ZINC001589239590 956865350 /nfs/dbraw/zinc/86/53/50/956865350.db2.gz OMAVLOLDWUSMCO-CYBMUJFWSA-N -1 0 314.338 -0.421 20 0 DBADRM O=C([O-])c1ccccc1CC(=O)NCCN1CCNC(=O)C1 ZINC001594709677 956866694 /nfs/dbraw/zinc/86/66/94/956866694.db2.gz GBDBDHUFQBHJLE-UHFFFAOYSA-N -1 0 305.334 -0.525 20 0 DBADRM CC1(C)OCC[C@H]1Cn1nnnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001589240107 956874119 /nfs/dbraw/zinc/87/41/19/956874119.db2.gz NGAZPAVIRLUYRJ-UWVGGRQHSA-N -1 0 311.342 -0.222 20 0 DBADRM COCCCOCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593994897 956874235 /nfs/dbraw/zinc/87/42/35/956874235.db2.gz YUIFFCWMBVCENZ-LLVKDONJSA-N -1 0 316.354 -0.379 20 0 DBADRM COCCCOCCC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593994919 956874339 /nfs/dbraw/zinc/87/43/39/956874339.db2.gz ZPLJYYZRQDKCMP-FZMZJTMJSA-N -1 0 301.339 -0.011 20 0 DBADRM COCCCc1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1 ZINC001593995224 956880572 /nfs/dbraw/zinc/88/05/72/956880572.db2.gz LDOJXUXCZDSSGV-UHFFFAOYSA-N -1 0 310.266 -0.338 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CCC(=O)N1 ZINC001589241383 956890916 /nfs/dbraw/zinc/89/09/16/956890916.db2.gz KEZLMHFLYAOKOO-AWEZNQCLSA-N -1 0 320.305 -0.497 20 0 DBADRM CC1(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)OCCO1 ZINC001589244836 956902056 /nfs/dbraw/zinc/90/20/56/956902056.db2.gz KQWCBVMNKFXYLX-UHFFFAOYSA-N -1 0 321.351 -0.855 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)C1=C(C)OCCS1(=O)=O ZINC001593997529 956907116 /nfs/dbraw/zinc/90/71/16/956907116.db2.gz RABPVVUEZKUJNP-UHFFFAOYSA-N -1 0 307.324 -0.778 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cn(C2CCOCC2)nn1 ZINC001593998727 956911647 /nfs/dbraw/zinc/91/16/47/956911647.db2.gz BAZIYXPZQKVHBW-UHFFFAOYSA-N -1 0 312.326 -0.197 20 0 DBADRM CC1(CO)CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001589245865 956916724 /nfs/dbraw/zinc/91/67/24/956916724.db2.gz TXGLOQKLUWVRMC-UHFFFAOYSA-N -1 0 324.337 -0.473 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC001594000805 956926897 /nfs/dbraw/zinc/92/68/97/956926897.db2.gz FDFOWDHBTXGONK-GMTAPVOTSA-N -1 0 316.354 -0.382 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CCOC[C@@H]1C ZINC001594000802 956927077 /nfs/dbraw/zinc/92/70/77/956927077.db2.gz FAZQEUAXDUDEEB-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@H](C)[C@H]1CO ZINC001594001129 956930403 /nfs/dbraw/zinc/93/04/03/956930403.db2.gz LUMUPAUINNLMMK-GHMZBOCLSA-N -1 0 316.354 -0.835 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)NC1CCOCC1 ZINC001594001853 956936463 /nfs/dbraw/zinc/93/64/63/956936463.db2.gz XSZXSKXFRYFUGO-UHFFFAOYSA-N -1 0 302.327 -0.769 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)CCCN1C(=O)CCC1=O ZINC001594003020 956944042 /nfs/dbraw/zinc/94/40/42/956944042.db2.gz XHALQRARQJTTMD-UHFFFAOYSA-N -1 0 314.338 -0.135 20 0 DBADRM CC1(O)CCC(NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001589249853 956954305 /nfs/dbraw/zinc/95/43/05/956954305.db2.gz IVPPUEHKYTUCBG-UHFFFAOYSA-N -1 0 324.337 -0.284 20 0 DBADRM CC1(O)CCC(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC001589250051 956957962 /nfs/dbraw/zinc/95/79/62/956957962.db2.gz WDHSDLXFJVXTOO-OPASDULOSA-N -1 0 314.338 -0.892 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1cccn2nnnc12 ZINC001594719463 956959607 /nfs/dbraw/zinc/95/96/07/956959607.db2.gz RYBXPAIQVPNGFM-NSHDSACASA-N -1 0 312.289 -0.055 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1 ZINC001594006557 956976139 /nfs/dbraw/zinc/97/61/39/956976139.db2.gz AIOIYSZLEGOFOF-CKYFFXLPSA-N -1 0 317.338 -0.097 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@H]1CC[C@@H](C(=O)OC)O1 ZINC001594006600 956977515 /nfs/dbraw/zinc/97/75/15/956977515.db2.gz DCEBOUFVWRYIRC-ZJUUUORDSA-N -1 0 303.311 -0.343 20 0 DBADRM C[C@@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C2 ZINC001589254391 956980435 /nfs/dbraw/zinc/98/04/35/956980435.db2.gz HSCCDBAQIIMMRF-YMTOWFKASA-N -1 0 322.321 -0.599 20 0 DBADRM O=C([O-])C1(NC(=O)[C@]2(F)CCS(=O)(=O)C2)CCOCC1 ZINC001594723874 956983346 /nfs/dbraw/zinc/98/33/46/956983346.db2.gz MZJYHCFVQINHTG-JTQLQIEISA-N -1 0 309.315 -0.737 20 0 DBADRM C[C@@]12CN(C(=O)c3cnc(C(=O)[O-])cn3)C[C@@]1(C)C(=O)NC2=O ZINC001589255219 956983530 /nfs/dbraw/zinc/98/35/30/956983530.db2.gz SIOPZPDKUOHSBL-KBPBESRZSA-N -1 0 318.289 -0.700 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2cn(-c3cccnc3)nn2)CCOC1 ZINC001594723997 956983696 /nfs/dbraw/zinc/98/36/96/956983696.db2.gz PTEYHGCEGIRGQA-CYBMUJFWSA-N -1 0 303.278 -0.364 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@@H]2C[C@H]3CC[C@@H](C2)S3(=O)=O)CCOC1 ZINC001594724392 956987282 /nfs/dbraw/zinc/98/72/82/956987282.db2.gz RWFGPXDWZZEWRQ-ORXSELOVSA-N -1 0 317.363 -0.298 20 0 DBADRM CC1=C(C(=O)NC2(C(=O)[O-])CCCC2)Cn2nnnc2N1C ZINC001589256830 957004088 /nfs/dbraw/zinc/00/40/88/957004088.db2.gz XQVSNKFDCSTBER-UHFFFAOYSA-N -1 0 306.326 -0.090 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC001589257064 957008918 /nfs/dbraw/zinc/00/89/18/957008918.db2.gz UWVSRYPLYCREEE-SNVBAGLBSA-N -1 0 315.351 -0.013 20 0 DBADRM CCCNC(=O)CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000013277319 957009409 /nfs/dbraw/zinc/00/94/09/957009409.db2.gz PVBWSUKPGRMVAQ-UHFFFAOYSA-N -1 0 315.351 -0.030 20 0 DBADRM COCC[N@@H+]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001594014965 957025054 /nfs/dbraw/zinc/02/50/54/957025054.db2.gz MYBAOPKHULCHHH-UHFFFAOYSA-N -1 0 308.338 -0.031 20 0 DBADRM COCCN1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C(C)(C)C1 ZINC001594015046 957025340 /nfs/dbraw/zinc/02/53/40/957025340.db2.gz NXPLMUYUTVXZJE-LLVKDONJSA-N -1 0 313.354 -0.215 20 0 DBADRM COCCN1CN(C(=O)C2(C(=O)[O-])CCSCC2)CC1=O ZINC001594015325 957029385 /nfs/dbraw/zinc/02/93/85/957029385.db2.gz VEZQWAWGVVXQTK-UHFFFAOYSA-N -1 0 316.379 -0.141 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001589259944 957030074 /nfs/dbraw/zinc/03/00/74/957030074.db2.gz WSCALMJBULPLRW-IDKOKCKLSA-N -1 0 311.338 -0.607 20 0 DBADRM C[C@H]1[C@H](CO)CCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001589262569 957046833 /nfs/dbraw/zinc/04/68/33/957046833.db2.gz PKQBTAMXDVNYRG-QWRGUYRKSA-N -1 0 304.343 -0.484 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001594017794 957048536 /nfs/dbraw/zinc/04/85/36/957048536.db2.gz DCPWUAQXRXICBE-IINYFYTJSA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@@H]1[C@H](CO)CCCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589262591 957049215 /nfs/dbraw/zinc/04/92/15/957049215.db2.gz PRPQKDMZQAHJME-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001589262706 957050127 /nfs/dbraw/zinc/05/01/27/957050127.db2.gz SEYUKBCRTLOCCK-FQXVJLAJSA-N -1 0 316.379 -0.666 20 0 DBADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001589262709 957050638 /nfs/dbraw/zinc/05/06/38/957050638.db2.gz SEYUKBCRTLOCCK-VQJFPLRMSA-N -1 0 316.379 -0.666 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589262807 957052225 /nfs/dbraw/zinc/05/22/25/957052225.db2.gz AAPBKUGLGQGSHD-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCn3nccc32)C1 ZINC001594732589 957053283 /nfs/dbraw/zinc/05/32/83/957053283.db2.gz RLFZEWLMUYJULK-ZJUUUORDSA-N -1 0 306.322 -0.233 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCn3nccc32)C1 ZINC001594732586 957053295 /nfs/dbraw/zinc/05/32/95/957053295.db2.gz RLFZEWLMUYJULK-NXEZZACHSA-N -1 0 306.322 -0.233 20 0 DBADRM C[C@H]1[C@H](CO)CCN1C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589262975 957056923 /nfs/dbraw/zinc/05/69/23/957056923.db2.gz WEOVMZDVOYLHMA-UWVGGRQHSA-N -1 0 319.379 -0.505 20 0 DBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594018637 957060050 /nfs/dbraw/zinc/06/00/50/957060050.db2.gz WYOBERIYLUQRTH-DDHJBXDOSA-N -1 0 316.354 -0.031 20 0 DBADRM COCCS(=O)(=O)CC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001594021734 957084596 /nfs/dbraw/zinc/08/45/96/957084596.db2.gz JRELSGRZLCPYFY-UHFFFAOYSA-N -1 0 323.367 -0.955 20 0 DBADRM O=C([O-])[C@@H](CC(F)F)NC(=O)Cn1nc2ccccn2c1=O ZINC000389704658 972242038 /nfs/dbraw/zinc/24/20/38/972242038.db2.gz LHVNCFVZBLCIEF-SSDOTTSWSA-N -1 0 314.248 -0.279 20 0 DBADRM O=C(CN1CCC(C(=O)[O-])CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000032198592 957176468 /nfs/dbraw/zinc/17/64/68/957176468.db2.gz ZKZUULRSBMEPEJ-JTQLQIEISA-N -1 0 304.368 -0.914 20 0 DBADRM CCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000035230190 957201236 /nfs/dbraw/zinc/20/12/36/957201236.db2.gz UOTAPAJBHUUTLU-QMMMGPOBSA-N -1 0 317.367 -0.084 20 0 DBADRM CN(CC(=O)NCC(=O)NCC(=O)[O-])c1ccc(Cl)cn1 ZINC000035383629 957206049 /nfs/dbraw/zinc/20/60/49/957206049.db2.gz ULGNLMDBJHUZDD-UHFFFAOYSA-N -1 0 314.729 -0.512 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Cn1ccc(C(F)(F)F)n1 ZINC000035383565 957206221 /nfs/dbraw/zinc/20/62/21/957206221.db2.gz SZLOPKKJDOZJCX-UHFFFAOYSA-N -1 0 308.216 -0.781 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)CCNC(=O)c1cccs1 ZINC000035384126 957207508 /nfs/dbraw/zinc/20/75/08/957207508.db2.gz LHQHNKBKDJYFCJ-UHFFFAOYSA-N -1 0 313.335 -0.815 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@@H](C)O)c(CC(=O)[O-])c1 ZINC000036889169 957243734 /nfs/dbraw/zinc/24/37/34/957243734.db2.gz MIIRGDOTPCTGSN-MRVPVSSYSA-N -1 0 303.336 -0.019 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000037226220 957267162 /nfs/dbraw/zinc/26/71/62/957267162.db2.gz ODNDUVQBFXIGBI-SECBINFHSA-N -1 0 321.282 -0.664 20 0 DBADRM CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000037406670 957278071 /nfs/dbraw/zinc/27/80/71/957278071.db2.gz QRNQVHKISRAIBH-NSHDSACASA-N -1 0 316.335 -0.954 20 0 DBADRM CN(C)C(=O)CCCNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000390034586 972262639 /nfs/dbraw/zinc/26/26/39/972262639.db2.gz FUWGPVGTTDBWPV-UHFFFAOYSA-N -1 0 312.330 -0.856 20 0 DBADRM CCN(CC(=O)NC)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037656802 957319319 /nfs/dbraw/zinc/31/93/19/957319319.db2.gz KVMBOUFJTZRHSR-UHFFFAOYSA-N -1 0 307.372 -0.904 20 0 DBADRM C[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])c1nncn1C ZINC000037732187 957323528 /nfs/dbraw/zinc/32/35/28/957323528.db2.gz SDPOBTBEEWWAQP-RXMQYKEDSA-N -1 0 300.300 -0.724 20 0 DBADRM C[C@H](CN1CCCC1=O)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037789774 957327536 /nfs/dbraw/zinc/32/75/36/957327536.db2.gz COFMVFGBJKPYCS-SSDOTTSWSA-N -1 0 316.339 -0.603 20 0 DBADRM Cc1noc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)n1 ZINC000038034383 957351326 /nfs/dbraw/zinc/35/13/26/957351326.db2.gz UKEFZQRDGSODBP-UHFFFAOYSA-N -1 0 301.284 -0.862 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)nc2)CCO1 ZINC000390115145 972265594 /nfs/dbraw/zinc/26/55/94/972265594.db2.gz VQKHXDRQLASCEI-LLVKDONJSA-N -1 0 317.305 -0.022 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)N[C@]2(C(=O)[O-])CCSC2)C1 ZINC000043508950 957433600 /nfs/dbraw/zinc/43/36/00/957433600.db2.gz CWMXEUKLCBSXMQ-QPUJVOFHSA-N -1 0 301.368 -0.146 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@]2(C(=O)[O-])CCSC2)CC1=O ZINC000043509172 957433627 /nfs/dbraw/zinc/43/36/27/957433627.db2.gz IIBXMRKRRPBIJM-NOZJJQNGSA-N -1 0 316.379 -0.442 20 0 DBADRM CN(C(=O)N1CCO[C@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000043706619 957441535 /nfs/dbraw/zinc/44/15/35/957441535.db2.gz AGLFNBHLQYRVBO-BDAKNGLRSA-N -1 0 306.340 -0.989 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2CCN(C3CC3)C2)cn1 ZINC000044694601 957449547 /nfs/dbraw/zinc/44/95/47/957449547.db2.gz HPCAGKBLCBHYPE-SECBINFHSA-N -1 0 314.367 -0.517 20 0 DBADRM CCOC(=O)CCN(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000045699439 957453791 /nfs/dbraw/zinc/45/37/91/957453791.db2.gz PMUUPNZFOVWMCX-UHFFFAOYSA-N -1 0 305.312 -0.318 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2CCCC[C@@H]2O)CC1 ZINC000052007947 957508845 /nfs/dbraw/zinc/50/88/45/957508845.db2.gz DIAHFJFGYZKAOQ-MNOVXSKESA-N -1 0 306.384 -0.079 20 0 DBADRM CN(C(=O)c1cc(S(N)(=O)=O)cn1C)C(C)(C)C(=O)[O-] ZINC000061150493 957575770 /nfs/dbraw/zinc/57/57/70/957575770.db2.gz YGZNEKJMHSAOEC-UHFFFAOYSA-N -1 0 303.340 -0.392 20 0 DBADRM COCCN(C)CCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000061379344 957580968 /nfs/dbraw/zinc/58/09/68/957580968.db2.gz JFFNBHWHZHMJTR-UHFFFAOYSA-N -1 0 319.383 -0.420 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1 ZINC000061710248 957583412 /nfs/dbraw/zinc/58/34/12/957583412.db2.gz BPFDHKKKLYNXIO-SECBINFHSA-N -1 0 301.320 -0.095 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCNC(=O)CC2)s1 ZINC000062100998 957599303 /nfs/dbraw/zinc/59/93/03/957599303.db2.gz NZZWXJDMWGJQPV-UHFFFAOYSA-N -1 0 304.349 -0.043 20 0 DBADRM CC(=O)N[C@@H](CSCc1nc(N)nc(N(C)C)n1)C(=O)[O-] ZINC000069554915 957652610 /nfs/dbraw/zinc/65/26/10/957652610.db2.gz AWVZCNJBTKHMSJ-ZETCQYMHSA-N -1 0 314.371 -0.658 20 0 DBADRM CC(=O)N[C@@H](CSCC(=O)N1CCO[C@@H](C)C1)C(=O)[O-] ZINC000069555498 957653596 /nfs/dbraw/zinc/65/35/96/957653596.db2.gz YROSJESUFPJZLE-WPRPVWTQSA-N -1 0 304.368 -0.444 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(CCO)CC2)cs1 ZINC000070157078 957662748 /nfs/dbraw/zinc/66/27/48/957662748.db2.gz GTZADVIUVCHZBS-UHFFFAOYSA-N -1 0 320.392 -0.255 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCC[C@@H](CO)C2)c1C(=O)[O-] ZINC000070446506 957672388 /nfs/dbraw/zinc/67/23/88/957672388.db2.gz HHQHGNFUNRYUMI-MRVPVSSYSA-N -1 0 303.340 -0.191 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)Cc2nccn2C)c1C(=O)[O-] ZINC000070446544 957673820 /nfs/dbraw/zinc/67/38/20/957673820.db2.gz LZEGMFXQAZVIDZ-UHFFFAOYSA-N -1 0 313.339 -0.029 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)nn1 ZINC001574738370 957677594 /nfs/dbraw/zinc/67/75/94/957677594.db2.gz QVAPCCVUYNMHQY-SNVBAGLBSA-N -1 0 324.337 -0.179 20 0 DBADRM COCCSCCCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594024163 957692024 /nfs/dbraw/zinc/69/20/24/957692024.db2.gz OUJKHCLYKIVXRO-SNVBAGLBSA-N -1 0 311.425 -0.060 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@H]2COC3(CCCC3)O2)nn1 ZINC001574743373 957694396 /nfs/dbraw/zinc/69/43/96/957694396.db2.gz QBCALXUDWOWVSZ-VIFPVBQESA-N -1 0 310.310 -0.222 20 0 DBADRM COCCn1cc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)nn1 ZINC001594024585 957698218 /nfs/dbraw/zinc/69/82/18/957698218.db2.gz QYORKASTMOJMMX-ZANVPECISA-N -1 0 310.310 -0.902 20 0 DBADRM COCCn1nc(C(=O)N(CC(=O)[O-])C2CCC2)ccc1=O ZINC001594025255 957709950 /nfs/dbraw/zinc/70/99/50/957709950.db2.gz INBSBVKCZYQBKE-UHFFFAOYSA-N -1 0 309.322 -0.031 20 0 DBADRM COC[C@@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000071271409 957715903 /nfs/dbraw/zinc/71/59/03/957715903.db2.gz OMAMIESXBPMWBA-VIFPVBQESA-N -1 0 319.335 -0.321 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)C(=O)[O-] ZINC000071337327 957720065 /nfs/dbraw/zinc/72/00/65/957720065.db2.gz CRYZMGVEKOARHW-UWVGGRQHSA-N -1 0 300.311 -0.623 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001594027949 957725443 /nfs/dbraw/zinc/72/54/43/957725443.db2.gz MYTSABAFKWMKMO-NXEZZACHSA-N -1 0 310.306 -0.845 20 0 DBADRM COCc1csc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])n1 ZINC001594029871 957754434 /nfs/dbraw/zinc/75/44/34/957754434.db2.gz UZOJWANHJSJUHL-NSHDSACASA-N -1 0 317.323 -0.820 20 0 DBADRM COCn1nccc1S(=O)(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001594031422 957763380 /nfs/dbraw/zinc/76/33/80/957763380.db2.gz SWXHBLFZFRBXIN-NSHDSACASA-N -1 0 303.340 -0.028 20 0 DBADRM COCc1nccc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)n1 ZINC001594033072 957779912 /nfs/dbraw/zinc/77/99/12/957779912.db2.gz OQVNAVJHHGKBQC-JTQLQIEISA-N -1 0 310.310 -0.213 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC(O)(COCCO)CC2)[nH]n1 ZINC001574788656 957796916 /nfs/dbraw/zinc/79/69/16/957796916.db2.gz VIOOBTIAMQECCD-UHFFFAOYSA-N -1 0 313.310 -0.916 20 0 DBADRM CON(C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)[C@H](C)C(=O)[O-] ZINC001594035084 957805071 /nfs/dbraw/zinc/80/50/71/957805071.db2.gz UDYTYHVCSUISIJ-AVPPRXQKSA-N -1 0 323.305 -0.180 20 0 DBADRM COCn1nccc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001594035390 957808032 /nfs/dbraw/zinc/80/80/32/957808032.db2.gz VAEKWLDKBJBPHA-JTQLQIEISA-N -1 0 305.312 -0.991 20 0 DBADRM Cc1cc(C(=O)[O-])cc(C(=O)OCC(=O)N2CCNC(=O)C2)c1 ZINC001594289345 957811052 /nfs/dbraw/zinc/81/10/52/957811052.db2.gz PYTURSNUXILQCM-UHFFFAOYSA-N -1 0 320.301 -0.192 20 0 DBADRM CON(C(=O)c1cc(S(N)(=O)=O)cn1C)[C@@H](C)C(=O)[O-] ZINC001594038082 957833805 /nfs/dbraw/zinc/83/38/05/957833805.db2.gz BGLDIIYNTTXHKH-LURJTMIESA-N -1 0 305.312 -0.851 20 0 DBADRM CON1CCC(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC001594043784 957903267 /nfs/dbraw/zinc/90/32/67/957903267.db2.gz LTWVWZXNWMBWLO-NSHDSACASA-N -1 0 315.370 -0.399 20 0 DBADRM Cc1cc(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])on1 ZINC001594300917 957908596 /nfs/dbraw/zinc/90/85/96/957908596.db2.gz ZTVBQXAPNXJUCQ-SECBINFHSA-N -1 0 302.308 -0.764 20 0 DBADRM CO[C@H]1C[C@H](NC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001594045688 957917522 /nfs/dbraw/zinc/91/75/22/957917522.db2.gz ODONRWRNGYYBCO-GMTAPVOTSA-N -1 0 313.354 -0.071 20 0 DBADRM Cc1cc(CCn2nnnc2N2CC[C@H](C(=O)[O-])C2)nn1C ZINC001594302690 957923573 /nfs/dbraw/zinc/92/35/73/957923573.db2.gz RZWUASGZOIUQOW-JTQLQIEISA-N -1 0 305.342 -0.131 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001574827193 957946719 /nfs/dbraw/zinc/94/67/19/957946719.db2.gz KUFJDQABANVOJQ-IONNQARKSA-N -1 0 309.282 -0.924 20 0 DBADRM Cc1cc(CNC(=O)c2cccn(CC(=O)[O-])c2=O)n(C)n1 ZINC001594304569 957955023 /nfs/dbraw/zinc/95/50/23/957955023.db2.gz OAOIZBYUCZFGOX-UHFFFAOYSA-N -1 0 304.306 -0.095 20 0 DBADRM COc1cc(C(=O)N[C@@H](C)CC(=O)[O-])sc1S(N)(=O)=O ZINC001594050909 957988641 /nfs/dbraw/zinc/98/86/41/957988641.db2.gz REDYUQAUGKGLRW-YFKPBYRVSA-N -1 0 322.364 -0.003 20 0 DBADRM Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001594308740 957992636 /nfs/dbraw/zinc/99/26/36/957992636.db2.gz APMTUEHRTPCYKF-GFCCVEGCSA-N -1 0 315.713 -0.066 20 0 DBADRM Cc1cc(F)ncc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594310323 958004129 /nfs/dbraw/zinc/00/41/29/958004129.db2.gz NCWDPBLJSCDCNV-VIFPVBQESA-N -1 0 316.310 -0.147 20 0 DBADRM COc1cc(CCC(=O)N2CCN(C(=O)C(=O)[O-])CC2)on1 ZINC001594054722 958022190 /nfs/dbraw/zinc/02/21/90/958022190.db2.gz IOCARISKTQEELP-UHFFFAOYSA-N -1 0 311.294 -0.629 20 0 DBADRM Cc1cc(N2CC[C@@H](OC(=O)COCC(=O)[O-])C2=O)n(C)n1 ZINC001594312079 958041333 /nfs/dbraw/zinc/04/13/33/958041333.db2.gz ZFUPBXXLGCIACK-SECBINFHSA-N -1 0 311.294 -0.522 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)ccc1C(=O)[O-] ZINC001594313237 958048885 /nfs/dbraw/zinc/04/88/85/958048885.db2.gz AICSDVZCYKSSLB-QWRGUYRKSA-N -1 0 322.317 -0.414 20 0 DBADRM COc1cc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1O ZINC001594057471 958049129 /nfs/dbraw/zinc/04/91/29/958049129.db2.gz PPJGJGQWXPVWLB-JTQLQIEISA-N -1 0 322.317 -0.050 20 0 DBADRM COc1cc(C)nc(C[S@](=O)CC(=O)NCC(=O)[O-])c1 ZINC001594057913 958054455 /nfs/dbraw/zinc/05/44/55/958054455.db2.gz RNNHGFKYPZFXFL-FQEVSTJZSA-N -1 0 300.336 -0.152 20 0 DBADRM COc1cc(C)ccc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001594057856 958055025 /nfs/dbraw/zinc/05/50/25/958055025.db2.gz QIOHVVKVKFGZFX-CQSZACIVSA-N -1 0 310.306 -0.106 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)nn1C ZINC001594313976 958055258 /nfs/dbraw/zinc/05/52/58/958055258.db2.gz YNDSPKPWQYMYRG-SNVBAGLBSA-N -1 0 320.309 -0.657 20 0 DBADRM COc1cc(CS(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)sn1 ZINC001594058508 958064049 /nfs/dbraw/zinc/06/40/49/958064049.db2.gz BDYUWNAJQFXRRT-JTQLQIEISA-N -1 0 322.364 -0.185 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H](CO)c1ccccc1 ZINC000088772472 958068150 /nfs/dbraw/zinc/06/81/50/958068150.db2.gz KMMNSTKWZQGHSI-NSHDSACASA-N -1 0 302.352 -0.039 20 0 DBADRM CN1C(=O)CC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O ZINC000090024206 958090297 /nfs/dbraw/zinc/09/02/97/958090297.db2.gz HNYAKMQHTYURFM-ZCFIWIBFSA-N -1 0 316.291 -0.597 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)Cn1cc(Br)ccc1=O ZINC000090260834 958097417 /nfs/dbraw/zinc/09/74/17/958097417.db2.gz HWYMFZHKTYPUNR-ZETCQYMHSA-N -1 0 319.111 -0.828 20 0 DBADRM CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000090260998 958097520 /nfs/dbraw/zinc/09/75/20/958097520.db2.gz ZKZLQBITGYSEOM-JTQLQIEISA-N -1 0 316.335 -0.840 20 0 DBADRM COc1cc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)[nH]n1 ZINC001594062171 958099612 /nfs/dbraw/zinc/09/96/12/958099612.db2.gz QLPNRAYDMXCWPD-YUMQZZPRSA-N -1 0 310.310 -0.074 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)nn1 ZINC001350331822 958104410 /nfs/dbraw/zinc/10/44/10/958104410.db2.gz MJNGDBNXWHTLBA-DTWKUNHWSA-N -1 0 309.326 -0.716 20 0 DBADRM CCS(=O)(=O)C1CCN(C(=O)[C@](C)(OC)C(=O)[O-])CC1 ZINC001350421479 958106006 /nfs/dbraw/zinc/10/60/06/958106006.db2.gz FGKZDHWJIKHNTR-LBPRGKRZSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)C(=O)N1CCC(C(=O)NC[C@](C)(O)C(=O)[O-])CC1 ZINC000090276548 958109038 /nfs/dbraw/zinc/10/90/38/958109038.db2.gz DCOWUKYVQFKWHA-AWEZNQCLSA-N -1 0 300.355 -0.167 20 0 DBADRM COc1cc(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)[nH]n1 ZINC001594062909 958111243 /nfs/dbraw/zinc/11/12/43/958111243.db2.gz LKBIRRLBSZAXRP-UHFFFAOYSA-N -1 0 317.323 -0.364 20 0 DBADRM CCN(CC)S(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000092697404 958172775 /nfs/dbraw/zinc/17/27/75/958172775.db2.gz YEZXZPJGADESOH-UHFFFAOYSA-N -1 0 303.344 -0.580 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001594326884 958181777 /nfs/dbraw/zinc/18/17/77/958181777.db2.gz LHBLPRKUCSNJGG-JTQLQIEISA-N -1 0 324.289 -0.909 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cnc1N ZINC001594329006 958200745 /nfs/dbraw/zinc/20/07/45/958200745.db2.gz HZYSXORXTOZPCG-VIFPVBQESA-N -1 0 301.324 -0.554 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000092940084 958207064 /nfs/dbraw/zinc/20/70/64/958207064.db2.gz MKCQCDLSYNDTEB-BBBLOLIVSA-N -1 0 304.368 -0.915 20 0 DBADRM COc1ccc(C(=O)NCC(=O)N2CC(C(=O)[O-])C2)cc1OC ZINC001594077438 958229621 /nfs/dbraw/zinc/22/96/21/958229621.db2.gz TXKSXPUXBUZXGD-UHFFFAOYSA-N -1 0 322.317 -0.023 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000092948586 958230853 /nfs/dbraw/zinc/23/08/53/958230853.db2.gz FLQYTLAZTUKIBA-RKDXNWHRSA-N -1 0 321.399 -0.181 20 0 DBADRM Cn1cc(S(=O)(=O)NCc2ccc(=O)[nH]n2)cc1C(=O)[O-] ZINC000391347406 972330385 /nfs/dbraw/zinc/33/03/85/972330385.db2.gz GPRCIPATOVYSQQ-UHFFFAOYSA-N -1 0 312.307 -0.303 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001523010686 958239282 /nfs/dbraw/zinc/23/92/82/958239282.db2.gz VVJKCNRXRIYIIH-AWEZNQCLSA-N -1 0 311.338 -0.016 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000093680538 958250073 /nfs/dbraw/zinc/25/00/73/958250073.db2.gz UBLRPWKUDXREAB-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001549306999 958281148 /nfs/dbraw/zinc/28/11/48/958281148.db2.gz YLJSBKMDEBZWQC-BHDSKKPTSA-N -1 0 311.338 -0.663 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1ccnc3ccnn31)C2 ZINC001550345901 958291263 /nfs/dbraw/zinc/29/12/63/958291263.db2.gz NBDPOCSBMROYPO-XPTSAGLGSA-N -1 0 302.290 -0.098 20 0 DBADRM NC(=O)c1cccc(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001552375704 958301662 /nfs/dbraw/zinc/30/16/62/958301662.db2.gz HVEKHSVJPNBESP-RTHLEPHNSA-N -1 0 320.305 -0.255 20 0 DBADRM C=CC(=O)N(CC)CC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001588447074 958381545 /nfs/dbraw/zinc/38/15/45/958381545.db2.gz JEIZGDADUTYBIA-AWEZNQCLSA-N -1 0 314.338 -0.651 20 0 DBADRM CN1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1(C)C ZINC000110719377 958394555 /nfs/dbraw/zinc/39/45/55/958394555.db2.gz UKRPYTVHJSMOCG-UHFFFAOYSA-N -1 0 302.356 -0.177 20 0 DBADRM COc1ccc(COCC(=O)N[C@]2(C(=O)[O-])CCOC2)cn1 ZINC001594096081 958403809 /nfs/dbraw/zinc/40/38/09/958403809.db2.gz PMDNNXZOPIREPD-CQSZACIVSA-N -1 0 310.306 -0.033 20 0 DBADRM CCN1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccn2)CC1=O ZINC000391618324 972351224 /nfs/dbraw/zinc/35/12/24/972351224.db2.gz RIJHWVKRWNXIKX-SECBINFHSA-N -1 0 313.335 -0.321 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)[O-])cc1 ZINC001594108950 958496984 /nfs/dbraw/zinc/49/69/84/958496984.db2.gz NWNCNHSZSYMTGJ-MRVPVSSYSA-N -1 0 317.319 -0.010 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)[O-])cc1 ZINC001594109057 958497326 /nfs/dbraw/zinc/49/73/26/958497326.db2.gz NWNCNHSZSYMTGJ-QMMMGPOBSA-N -1 0 317.319 -0.010 20 0 DBADRM Cc1nnc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)s1 ZINC000391660283 972355054 /nfs/dbraw/zinc/35/50/54/972355054.db2.gz ARHFPYULQCKUKI-UHFFFAOYSA-N -1 0 317.352 -0.394 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)C[C@H]1CCCO1 ZINC000125951259 958574577 /nfs/dbraw/zinc/57/45/77/958574577.db2.gz MRZOOCRKKWQCHL-VHSXEESVSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@H]1CCCO1 ZINC000125951704 958575614 /nfs/dbraw/zinc/57/56/14/958575614.db2.gz MRZOOCRKKWQCHL-NXEZZACHSA-N -1 0 305.352 -0.344 20 0 DBADRM CC1(C)[C@@H](O)C[C@@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000128026448 958628189 /nfs/dbraw/zinc/62/81/89/958628189.db2.gz ZXUWJNKBTNEHRK-IUCAKERBSA-N -1 0 303.340 -0.595 20 0 DBADRM CC1(C)[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@@H]1O ZINC000128039682 958630388 /nfs/dbraw/zinc/63/03/88/958630388.db2.gz GJSBBUOEDNTOLD-ZJUUUORDSA-N -1 0 306.384 -0.223 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](CN2CCOC[C@@H]2CC(=O)[O-])C1 ZINC000129939393 958721601 /nfs/dbraw/zinc/72/16/01/958721601.db2.gz LVTSXPXCTMCJAT-RYUDHWBXSA-N -1 0 320.411 -0.167 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN1CC(=O)NNC(=O)c1cccs1 ZINC000132007554 958759790 /nfs/dbraw/zinc/75/97/90/958759790.db2.gz ZYOWWVCCFGHXPN-JGVFFNPUSA-N -1 0 313.335 -0.971 20 0 DBADRM Cc1nnc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000391796269 972375495 /nfs/dbraw/zinc/37/54/95/972375495.db2.gz IPYIPTUJNBKPTJ-UHFFFAOYSA-N -1 0 320.396 -0.022 20 0 DBADRM CC(=O)N[C@@H]1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000133942695 958827508 /nfs/dbraw/zinc/82/75/08/958827508.db2.gz MZEPCSROVMHKOA-SSDOTTSWSA-N -1 0 302.312 -0.993 20 0 DBADRM CN(CC(N)=O)S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000135796771 958892573 /nfs/dbraw/zinc/89/25/73/958892573.db2.gz FZDBNKOSNZZFNY-UHFFFAOYSA-N -1 0 312.347 -0.091 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000160149673 959140034 /nfs/dbraw/zinc/14/00/34/959140034.db2.gz ILGSJHNTDCPJOC-VHSXEESVSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000160149798 959140272 /nfs/dbraw/zinc/14/02/72/959140272.db2.gz ILGSJHNTDCPJOC-ZJUUUORDSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000160149552 959140669 /nfs/dbraw/zinc/14/06/69/959140669.db2.gz ILGSJHNTDCPJOC-UWVGGRQHSA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ncn(C)n1 ZINC000392173309 972421182 /nfs/dbraw/zinc/42/11/82/972421182.db2.gz PGGHRJMPBBPYQL-SSDOTTSWSA-N -1 0 314.327 -0.864 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000167996031 959370395 /nfs/dbraw/zinc/37/03/95/959370395.db2.gz NCYDYFIEEUJDLP-BDAKNGLRSA-N -1 0 321.351 -0.524 20 0 DBADRM C[C@H](C[S@@](C)=O)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000168759593 959389571 /nfs/dbraw/zinc/38/95/71/959389571.db2.gz RTLJXWFECACTDB-MDTSDYNXSA-N -1 0 309.369 -0.987 20 0 DBADRM C[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573617388 959500202 /nfs/dbraw/zinc/50/02/02/959500202.db2.gz YXYKJKQHVAKOAI-HRDYMLBCSA-N -1 0 323.353 -0.371 20 0 DBADRM CCC[C@@H](C)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001485400266 1013192127 /nfs/dbraw/zinc/19/21/27/1013192127.db2.gz CWGNCYHHTORMGL-SNVBAGLBSA-N -1 0 311.386 -0.001 20 0 DBADRM C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000206637213 959661077 /nfs/dbraw/zinc/66/10/77/959661077.db2.gz PILYFEHEZGWKMY-IWSPIJDZSA-N -1 0 302.327 -0.054 20 0 DBADRM CC[N@H+](CCNS(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CC1 ZINC000217937598 959780238 /nfs/dbraw/zinc/78/02/38/959780238.db2.gz PISLMZKQSCSMPX-UHFFFAOYSA-N -1 0 302.356 -0.130 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000221234438 959805239 /nfs/dbraw/zinc/80/52/39/959805239.db2.gz VNMWUWIMMJJTOP-BQBZGAKWSA-N -1 0 301.324 -0.997 20 0 DBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@H](C)C(N)=O ZINC000223695639 959840255 /nfs/dbraw/zinc/84/02/55/959840255.db2.gz OTRJHVYYWVNEHO-ZCFIWIBFSA-N -1 0 302.308 -0.455 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NC[C@@]1(O)CCOC1 ZINC000227114835 959921082 /nfs/dbraw/zinc/92/10/82/959921082.db2.gz CCXXSVWPAXOLSK-VIFPVBQESA-N -1 0 308.337 -0.729 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000227115403 959921739 /nfs/dbraw/zinc/92/17/39/959921739.db2.gz GAPCXKXCAOFCGE-RDDDGLTNSA-N -1 0 304.324 -0.469 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000227116223 959922411 /nfs/dbraw/zinc/92/24/11/959922411.db2.gz STZPBWZQWAILCY-PELKAZGASA-N -1 0 318.351 -0.459 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000227116382 959922604 /nfs/dbraw/zinc/92/26/04/959922604.db2.gz WJCQPWSXIOTKMR-WRWORJQWSA-N -1 0 305.308 -0.204 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC(O)(C3CC3)C2)cn1 ZINC000227249421 959937336 /nfs/dbraw/zinc/93/73/36/959937336.db2.gz UCQVJTJBIAAIEJ-UHFFFAOYSA-N -1 0 301.324 -0.887 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCCN(CCO)CC2)o1 ZINC000227248744 959937861 /nfs/dbraw/zinc/93/78/61/959937861.db2.gz FAGRLLXJCRQGJD-UHFFFAOYSA-N -1 0 318.351 -0.334 20 0 DBADRM COc1ccc(S(=O)(=O)N2CC(CO)C2)c(CC(=O)[O-])c1 ZINC000227253659 959939282 /nfs/dbraw/zinc/93/92/82/959939282.db2.gz NPCWSSQUVKICGX-UHFFFAOYSA-N -1 0 315.347 -0.065 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000227254375 959939606 /nfs/dbraw/zinc/93/96/06/959939606.db2.gz SHAAPDMHLZTTQX-PHIMTYICSA-N -1 0 301.320 -0.960 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)c1C(=O)[O-] ZINC000227255954 959940622 /nfs/dbraw/zinc/94/06/22/959940622.db2.gz SYYSOIMPUGNPDQ-YUMQZZPRSA-N -1 0 303.340 -0.002 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000227256493 959940649 /nfs/dbraw/zinc/94/06/49/959940649.db2.gz IDSGGRQYXMGSBJ-VIFPVBQESA-N -1 0 303.292 -0.803 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000227256826 959940679 /nfs/dbraw/zinc/94/06/79/959940679.db2.gz HZPMLUVYOWGHGE-LURJTMIESA-N -1 0 307.280 -0.902 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000227256431 959940949 /nfs/dbraw/zinc/94/09/49/959940949.db2.gz UGMFPRYCELHKMO-VIFPVBQESA-N -1 0 317.319 -0.495 20 0 DBADRM COC[C@H](CCO)NS(=O)(=O)c1scnc1C(=O)[O-] ZINC000228223733 960003856 /nfs/dbraw/zinc/00/38/56/960003856.db2.gz BDENKLZIQPGVPY-LURJTMIESA-N -1 0 310.353 -0.483 20 0 DBADRM CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000228233322 960006112 /nfs/dbraw/zinc/00/61/12/960006112.db2.gz AVYIJAGFOSZMET-CBAPKCEASA-N -1 0 323.396 -0.642 20 0 DBADRM CC(C)NC(=O)[C@@H](C)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000228925123 960046707 /nfs/dbraw/zinc/04/67/07/960046707.db2.gz YMSAFZHNCONBKH-SSDOTTSWSA-N -1 0 303.340 -0.096 20 0 DBADRM C[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)NC(C)(C)C ZINC000228926849 960046992 /nfs/dbraw/zinc/04/69/92/960046992.db2.gz DKGWXVYTVRXNGL-ZCFIWIBFSA-N -1 0 318.355 -0.311 20 0 DBADRM Cc1oc(C)c(S(=O)(=O)N[C@H]2CNC(=O)C2)c1C(=O)[O-] ZINC000229018966 960050986 /nfs/dbraw/zinc/05/09/86/960050986.db2.gz PWWDZQWVEPLCJM-SSDOTTSWSA-N -1 0 302.308 -0.239 20 0 DBADRM O=C([O-])c1c(F)ccc(S(=O)(=O)N[C@H]2CNC(=O)C2)c1F ZINC000229018449 960051249 /nfs/dbraw/zinc/05/12/49/960051249.db2.gz SIUFCVWJQVSCRJ-RXMQYKEDSA-N -1 0 320.273 -0.170 20 0 DBADRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CNC(=O)C1 ZINC000229022796 960053197 /nfs/dbraw/zinc/05/31/97/960053197.db2.gz BWZLYZLCEKEQNA-MRVPVSSYSA-N -1 0 316.310 -0.001 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000229030482 960053770 /nfs/dbraw/zinc/05/37/70/960053770.db2.gz CEJQOTLMZLHWFQ-MRVPVSSYSA-N -1 0 319.335 -0.321 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000229031502 960054816 /nfs/dbraw/zinc/05/48/16/960054816.db2.gz OUJWHVARIVCSBD-SECBINFHSA-N -1 0 303.336 -0.021 20 0 DBADRM COC[C@H](O)CCNS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000230132778 960128417 /nfs/dbraw/zinc/12/84/17/960128417.db2.gz NYIUTEKDVOUASI-MRVPVSSYSA-N -1 0 307.324 -0.038 20 0 DBADRM CNS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000230988742 960176400 /nfs/dbraw/zinc/17/64/00/960176400.db2.gz AOTDSDQXSMNYIZ-UHFFFAOYSA-N -1 0 322.364 -0.788 20 0 DBADRM CNS(=O)(=O)CCNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000231017685 960176613 /nfs/dbraw/zinc/17/66/13/960176613.db2.gz TVFLOSFIDYLMNB-UHFFFAOYSA-N -1 0 307.372 -0.522 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000231022205 960178371 /nfs/dbraw/zinc/17/83/71/960178371.db2.gz ZIXCCRBZWWLKKR-NSHDSACASA-N -1 0 307.372 -0.616 20 0 DBADRM CNS(=O)(=O)CCNC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000231019165 960178390 /nfs/dbraw/zinc/17/83/90/960178390.db2.gz HSMXMANAAHARCE-UHFFFAOYSA-N -1 0 307.372 -0.520 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2CO)cn1 ZINC000231286958 960195523 /nfs/dbraw/zinc/19/55/23/960195523.db2.gz MPEFXAIWTOWCQK-PSASIEDQSA-N -1 0 303.340 -0.593 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)CC(=O)NC1CCCC1)C(=O)[O-] ZINC000232568586 960282520 /nfs/dbraw/zinc/28/25/20/960282520.db2.gz PYLIRLIZLROAER-JTQLQIEISA-N -1 0 320.367 -0.951 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC000235319398 960409460 /nfs/dbraw/zinc/40/94/60/960409460.db2.gz VPNIYADJTIGBSR-KXUCPTDWSA-N -1 0 304.368 -0.074 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)[C@H](C)C(=O)NC1CCCC1)C(=O)[O-] ZINC000235406678 960428075 /nfs/dbraw/zinc/42/80/75/960428075.db2.gz SIGDEBFKJXNMST-KJLUZHGOSA-N -1 0 318.395 -0.228 20 0 DBADRM C[C@]1(C(N)=O)CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000235750390 960487925 /nfs/dbraw/zinc/48/79/25/960487925.db2.gz XDLKNVYSPIGAHN-NSHDSACASA-N -1 0 302.308 -0.136 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCC[C@H]2CCOC2)cn1 ZINC000236430135 960587758 /nfs/dbraw/zinc/58/77/58/960587758.db2.gz LBKBYBNWAMWFDG-VIFPVBQESA-N -1 0 303.340 -0.327 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@H](O)C(F)(F)F ZINC000236522608 960698971 /nfs/dbraw/zinc/69/89/71/960698971.db2.gz RASWIZIMGMHSFS-BYPYZUCNSA-N -1 0 303.218 -0.691 20 0 DBADRM Cc1nc(SCC(=O)NC2(C(=O)[O-])CCOCC2)n[nH]1 ZINC001571072419 960922790 /nfs/dbraw/zinc/92/27/90/960922790.db2.gz XIFJPRZQFVCHDS-UHFFFAOYSA-N -1 0 300.340 -0.045 20 0 DBADRM CC[C@H](F)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001485413340 1013211358 /nfs/dbraw/zinc/21/13/58/1013211358.db2.gz JXNXAQLYGJNPGL-QMMMGPOBSA-N -1 0 301.322 -0.689 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3[nH]c(CO)nc3c2)CCO1 ZINC001571084597 961035718 /nfs/dbraw/zinc/03/57/18/961035718.db2.gz MKJLMCSESUXOFB-LLVKDONJSA-N -1 0 305.290 -0.019 20 0 DBADRM CC1=NO[C@](C)(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1 ZINC001571084649 961036816 /nfs/dbraw/zinc/03/68/16/961036816.db2.gz FAFXIFSZMCPAPW-KWQFWETISA-N -1 0 304.324 -0.749 20 0 DBADRM O=C([O-])[C@H]1CCC[C@H]1NC(=O)Cn1nc2ccccn2c1=O ZINC000237936504 961044564 /nfs/dbraw/zinc/04/45/64/961044564.db2.gz GRJXGQJZQAJYRB-VHSXEESVSA-N -1 0 304.306 -0.135 20 0 DBADRM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)nnn1-c1cnn(C)c1 ZINC001571085607 961054420 /nfs/dbraw/zinc/05/44/20/961054420.db2.gz RFKQOXWUVNJZFS-VIFPVBQESA-N -1 0 304.310 -0.144 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001571087633 961084268 /nfs/dbraw/zinc/08/42/68/961084268.db2.gz HPXIEGUSFSTHOL-XHNCKOQMSA-N -1 0 305.356 -0.830 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)C1 ZINC001571092944 961130864 /nfs/dbraw/zinc/13/08/64/961130864.db2.gz ZUYMWPOFWPRTQC-NAKRPEOUSA-N -1 0 306.322 -0.604 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001571093774 961152472 /nfs/dbraw/zinc/15/24/72/961152472.db2.gz ZDCLXCTVLIQNPY-UTLUCORTSA-N -1 0 306.384 -0.070 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000250003607 961207351 /nfs/dbraw/zinc/20/73/51/961207351.db2.gz SAYGDFHOUCLOHM-VHSXEESVSA-N -1 0 319.383 -0.762 20 0 DBADRM CC(C)OC[C@@H](O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000250581292 961221615 /nfs/dbraw/zinc/22/16/15/961221615.db2.gz JFOBOZGRFFKDBT-MNOVXSKESA-N -1 0 309.384 -0.654 20 0 DBADRM C[C@@H](C(=O)NC1CC1)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000251028775 961235911 /nfs/dbraw/zinc/23/59/11/961235911.db2.gz JFFMTZPKILCZSU-WCBMZHEXSA-N -1 0 304.368 -0.773 20 0 DBADRM CN1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)S1(=O)=O ZINC001598616769 1017347086 /nfs/dbraw/zinc/34/70/86/1017347086.db2.gz XBHJILZXEJKONX-UHFFFAOYSA-N -1 0 313.335 -0.185 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000252601509 961277715 /nfs/dbraw/zinc/27/77/15/961277715.db2.gz MKCQCDLSYNDTEB-UTLUCORTSA-N -1 0 304.368 -0.915 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000252601507 961278444 /nfs/dbraw/zinc/27/84/44/961278444.db2.gz MKCQCDLSYNDTEB-KXUCPTDWSA-N -1 0 304.368 -0.915 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000252602490 961278711 /nfs/dbraw/zinc/27/87/11/961278711.db2.gz NDXIRWAOOIGCNQ-OPRDCNLKSA-N -1 0 304.368 -0.074 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1=O ZINC000261830512 961394090 /nfs/dbraw/zinc/39/40/90/961394090.db2.gz HZEUAZKPWIQJTK-KWBADKCTSA-N -1 0 321.333 -0.741 20 0 DBADRM CN1CCN(CC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])CC1=O ZINC001598616884 1017348973 /nfs/dbraw/zinc/34/89/73/1017348973.db2.gz ZNYDATSIZDRADF-WDMOLILDSA-N -1 0 309.366 -0.528 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@H](CC2CC2)C(=O)[O-])nn1 ZINC000262216440 961561952 /nfs/dbraw/zinc/56/19/52/961561952.db2.gz LVPFNWPEGJZRIE-SECBINFHSA-N -1 0 309.326 -0.651 20 0 DBADRM Cn1ncc2c1CCC[C@@H]2NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001574472613 961612060 /nfs/dbraw/zinc/61/20/60/961612060.db2.gz OUNSQYRSLIXJOM-VIFPVBQESA-N -1 0 304.310 -0.096 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC001571148997 961761640 /nfs/dbraw/zinc/76/16/40/961761640.db2.gz INPVAYDWUONFNY-AOOOYVTPSA-N -1 0 320.367 -0.477 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001571159579 961910703 /nfs/dbraw/zinc/91/07/03/961910703.db2.gz JEVNSRTYYXTUIR-YIZRAAEISA-N -1 0 323.309 -0.630 20 0 DBADRM CC(C)C[C@@H](OC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC001588863684 962020876 /nfs/dbraw/zinc/02/08/76/962020876.db2.gz YKCGHSHSBZJSSZ-SNVBAGLBSA-N -1 0 308.294 -0.067 20 0 DBADRM CN(CC1=CCCOC1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001347160937 962382560 /nfs/dbraw/zinc/38/25/60/962382560.db2.gz RPGOKWURKFBGRI-LLVKDONJSA-N -1 0 312.322 -0.897 20 0 DBADRM CN(CCOCCNC(=O)c1ccn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001485775692 1013362685 /nfs/dbraw/zinc/36/26/85/1013362685.db2.gz JQYBHYUDKQNBGN-UHFFFAOYSA-N -1 0 323.357 -0.878 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@H](CO)O1 ZINC000299960948 962954354 /nfs/dbraw/zinc/95/43/54/962954354.db2.gz WPCHNBIEUBGZLH-GXSJLCMTSA-N -1 0 322.383 -0.891 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)Cc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000300445202 963008989 /nfs/dbraw/zinc/00/89/89/963008989.db2.gz GOFLGBQCIMKTOX-MQJDWESPSA-N -1 0 312.347 -0.377 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(F)nc1 ZINC000300480061 963013755 /nfs/dbraw/zinc/01/37/55/963013755.db2.gz XVXLKAMUSXXBQC-VIFPVBQESA-N -1 0 316.310 -0.065 20 0 DBADRM Cn1nnc(Br)c1C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000310984489 963450542 /nfs/dbraw/zinc/45/05/42/963450542.db2.gz KGALTZYDXKVVHJ-UHNVWZDZSA-N -1 0 319.115 -0.762 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)c2ccsc2C(=O)[O-])CC1=O ZINC000311923470 963523085 /nfs/dbraw/zinc/52/30/85/963523085.db2.gz UWFOQKXWGAICGA-LURJTMIESA-N -1 0 304.349 -0.045 20 0 DBADRM CCNC(=O)C(C)(C)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000312828735 963596867 /nfs/dbraw/zinc/59/68/67/963596867.db2.gz XHCLEDPWXUCFKE-UHFFFAOYSA-N -1 0 303.340 -0.094 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(F)(F)C(=O)[O-])cc1C(N)=O ZINC000312857492 963600439 /nfs/dbraw/zinc/60/04/39/963600439.db2.gz RIBXVGGXPHCKRW-UHFFFAOYSA-N -1 0 311.266 -0.878 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCC[C@H]2CCO)c1C(=O)[O-] ZINC000312931011 963605491 /nfs/dbraw/zinc/60/54/91/963605491.db2.gz FMLCJULRUPXGAX-QMMMGPOBSA-N -1 0 303.340 -0.048 20 0 DBADRM C[C@H](NC(=O)c1cccs1)C(=O)N[C@@](C)(CO)C(=O)[O-] ZINC000313507752 963652467 /nfs/dbraw/zinc/65/24/67/963652467.db2.gz MRQIQYPLVRUZDP-MADCSZMMSA-N -1 0 300.336 -0.182 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)N[C@@](C)(CO)C(=O)[O-])s1 ZINC000313507679 963652587 /nfs/dbraw/zinc/65/25/87/963652587.db2.gz MFHGQENPDLWEBC-LBPRGKRZSA-N -1 0 300.336 -0.262 20 0 DBADRM COC(=O)c1ccccc1S(=O)(=O)N[C@@](C)(CO)C(=O)[O-] ZINC000313554046 963666331 /nfs/dbraw/zinc/66/63/31/963666331.db2.gz YKLWTTDKSJBBTE-LBPRGKRZSA-N -1 0 317.319 -0.413 20 0 DBADRM O=C([O-])/C=C\c1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000313569390 963667310 /nfs/dbraw/zinc/66/73/10/963667310.db2.gz MUMVQOZNCSCMBV-KHQOXSAWSA-N -1 0 313.331 -0.490 20 0 DBADRM CC1(C)CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC[C@H]1O ZINC000313685932 963675906 /nfs/dbraw/zinc/67/59/06/963675906.db2.gz DNYBCSVTOSYPGZ-SNVBAGLBSA-N -1 0 317.367 -0.251 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000313878847 963687770 /nfs/dbraw/zinc/68/77/70/963687770.db2.gz BKWNJBARUIFHCQ-SNVBAGLBSA-N -1 0 317.363 -0.110 20 0 DBADRM O=C([O-])c1cn(CCN2C(=O)c3ccccc3S2(=O)=O)nn1 ZINC000314100313 963710934 /nfs/dbraw/zinc/71/09/34/963710934.db2.gz ADDMERRMKLFJHZ-UHFFFAOYSA-N -1 0 322.302 -0.179 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000314235754 963729537 /nfs/dbraw/zinc/72/95/37/963729537.db2.gz DQMAXGLKBXHQRR-UHFFFAOYSA-N -1 0 323.330 -0.339 20 0 DBADRM CO[C@]1(CNS(=O)(=O)c2cc(C(=O)[O-])ccn2)CCOC1 ZINC000314483178 963758980 /nfs/dbraw/zinc/75/89/80/963758980.db2.gz PFBBFNDDTNZTCZ-LBPRGKRZSA-N -1 0 316.335 -0.136 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)Cn1c(=O)oc2ccccc21 ZINC000314569466 963770336 /nfs/dbraw/zinc/77/03/36/963770336.db2.gz XUAANOHDEMJNEI-PSASIEDQSA-N -1 0 306.274 -0.359 20 0 DBADRM NC(=O)CCNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000315304551 963877947 /nfs/dbraw/zinc/87/79/47/963877947.db2.gz QHYLEFVEEWTLBJ-UHFFFAOYSA-N -1 0 308.294 -0.502 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000315323623 963881492 /nfs/dbraw/zinc/88/14/92/963881492.db2.gz BXIBJCIIAMUDKQ-DTWKUNHWSA-N -1 0 313.354 -0.661 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)COc1ccccc1O ZINC000315426509 963898493 /nfs/dbraw/zinc/89/84/93/963898493.db2.gz OONVFDJSJOZQFZ-SECBINFHSA-N -1 0 308.290 -0.427 20 0 DBADRM CN1C[C@@H](Nc2ccc(S(N)(=O)=O)cc2C(=O)[O-])CC1=O ZINC000315429073 963900175 /nfs/dbraw/zinc/90/01/75/963900175.db2.gz WEJQQUKOYLKMJK-ZETCQYMHSA-N -1 0 313.335 -0.325 20 0 DBADRM CN(Cc1nncn1C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315454483 963902969 /nfs/dbraw/zinc/90/29/69/963902969.db2.gz SFYDHUUQXNBUHX-UHFFFAOYSA-N -1 0 301.284 -0.678 20 0 DBADRM COCC[C@H](NC(=O)c1ccc(-n2cncn2)nc1)C(=O)[O-] ZINC000315671551 963924308 /nfs/dbraw/zinc/92/43/08/963924308.db2.gz WKTMRUOVZBHCFV-JTQLQIEISA-N -1 0 305.294 -0.118 20 0 DBADRM NC(=O)CN(C1CCCC1)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000316008792 963965229 /nfs/dbraw/zinc/96/52/29/963965229.db2.gz RROIGRHXVXRVGD-UHFFFAOYSA-N -1 0 317.323 -0.209 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])no2)C[C@@H]1OC ZINC000316111162 963978577 /nfs/dbraw/zinc/97/85/77/963978577.db2.gz NLWLQDJRYQLTGB-OCAPTIKFSA-N -1 0 306.296 -0.593 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000316196595 963989193 /nfs/dbraw/zinc/98/91/93/963989193.db2.gz LVZVESRRYKRYPW-NSHDSACASA-N -1 0 317.323 -0.481 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2ccc3n[nH]nc3c2)nn1 ZINC000316212361 963990761 /nfs/dbraw/zinc/99/07/61/963990761.db2.gz ZQTGCKRLPSQGRO-UHFFFAOYSA-N -1 0 301.266 -0.322 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC000316228638 963992258 /nfs/dbraw/zinc/99/22/58/963992258.db2.gz SJKUWXUGOLWEIZ-NSHDSACASA-N -1 0 315.370 -0.855 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCCC3(C2)OCCO3)on1 ZINC000316226543 963992311 /nfs/dbraw/zinc/99/23/11/963992311.db2.gz OSBIDTUNCSWJGG-UHFFFAOYSA-N -1 0 318.307 -0.100 20 0 DBADRM O=C([O-])c1ccc(CS(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000316344810 964004959 /nfs/dbraw/zinc/00/49/59/964004959.db2.gz DJGKWKBFMYBZLT-NEPJUHHUSA-N -1 0 315.347 -0.500 20 0 DBADRM O=C([O-])c1ccc(CS(=O)(=O)N2C[C@H](O)[C@H](CO)C2)cc1 ZINC000316344812 964004983 /nfs/dbraw/zinc/00/49/83/964004983.db2.gz DJGKWKBFMYBZLT-RYUDHWBXSA-N -1 0 315.347 -0.500 20 0 DBADRM O=C([O-])c1ccc(CS(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)cc1 ZINC000316344811 964005474 /nfs/dbraw/zinc/00/54/74/964005474.db2.gz DJGKWKBFMYBZLT-NWDGAFQWSA-N -1 0 315.347 -0.500 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000316387378 964008252 /nfs/dbraw/zinc/00/82/52/964008252.db2.gz KGQLQHBPWYKUAA-RQJHMYQMSA-N -1 0 307.349 -0.580 20 0 DBADRM Cc1oc(C)c(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)c1C(=O)[O-] ZINC000316415102 964010280 /nfs/dbraw/zinc/01/02/80/964010280.db2.gz OMTFUPAXKGUNRU-DTWKUNHWSA-N -1 0 319.335 -0.432 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@H](CO)[C@H](O)C2)s1 ZINC000316442212 964012232 /nfs/dbraw/zinc/01/22/32/964012232.db2.gz RTDOUFLJIFVNCM-RNFRBKRXSA-N -1 0 307.349 -0.580 20 0 DBADRM C[N@@H+]1CCCC[C@H]1CNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000316525017 964021730 /nfs/dbraw/zinc/02/17/30/964021730.db2.gz ZTCVONYYTADQDK-JTQLQIEISA-N -1 0 310.358 -0.240 20 0 DBADRM CNC(=O)CCCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001598640571 1017365009 /nfs/dbraw/zinc/36/50/09/1017365009.db2.gz JWFQZBXDMXFKHV-RKDXNWHRSA-N -1 0 300.311 -0.765 20 0 DBADRM Cc1ccnc2nc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)nn21 ZINC000316985291 964083496 /nfs/dbraw/zinc/08/34/96/964083496.db2.gz OWCKAJDFABCMAG-VIFPVBQESA-N -1 0 305.294 -0.252 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCCC(=O)N1CCOCC1 ZINC000317046721 964091664 /nfs/dbraw/zinc/09/16/64/964091664.db2.gz PBQASHQOSFJVGO-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM Cc1ccc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)cn1 ZINC001485976227 1013476438 /nfs/dbraw/zinc/47/64/38/1013476438.db2.gz WGYZNMNBQKHJFX-JTQLQIEISA-N -1 0 306.326 -0.906 20 0 DBADRM Cc1ccc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)cn1 ZINC001485976229 1013477178 /nfs/dbraw/zinc/47/71/78/1013477178.db2.gz WGYZNMNBQKHJFX-SNVBAGLBSA-N -1 0 306.326 -0.906 20 0 DBADRM Cc1cscc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001485984460 1013498986 /nfs/dbraw/zinc/49/89/86/1013498986.db2.gz LYMAJDGCSFSSMV-QMMMGPOBSA-N -1 0 311.367 -0.239 20 0 DBADRM Cc1cccnc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001485984404 1013499151 /nfs/dbraw/zinc/49/91/51/1013499151.db2.gz KXDFNOSQXUKCAJ-VIFPVBQESA-N -1 0 306.326 -0.906 20 0 DBADRM CNC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001598650436 1017368087 /nfs/dbraw/zinc/36/80/87/1017368087.db2.gz BDYYQUPISLNFAT-AXFHLTTASA-N -1 0 313.354 -0.071 20 0 DBADRM Cc1cc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)cc(C)n1 ZINC001485999951 1013534306 /nfs/dbraw/zinc/53/43/06/1013534306.db2.gz ITYDVZVHQIEUPN-LLVKDONJSA-N -1 0 320.353 -0.597 20 0 DBADRM CNC(=O)NCCC(=O)N(C)[C@H](COC1CCC1)C(=O)[O-] ZINC001598652571 1017372698 /nfs/dbraw/zinc/37/26/98/1017372698.db2.gz FYNWFEBXVUJWBE-SNVBAGLBSA-N -1 0 301.343 -0.214 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC001599120192 1017519238 /nfs/dbraw/zinc/51/92/38/1017519238.db2.gz QCWJYMMRRAYCQB-DJLDLDEBSA-N -1 0 308.356 -0.985 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001599749483 1017617474 /nfs/dbraw/zinc/61/74/74/1017617474.db2.gz RXMWOOIQEXKXQL-GUBZILKMSA-N -1 0 304.368 -0.074 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)CCOCC2CCC2)C1 ZINC001601723914 1017869505 /nfs/dbraw/zinc/86/95/05/1017869505.db2.gz XPPMMOURRPHKCC-GFCCVEGCSA-N -1 0 307.368 -0.346 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC001601193335 1017823195 /nfs/dbraw/zinc/82/31/95/1017823195.db2.gz VTQCUNNNBUPSLK-JTQLQIEISA-N -1 0 322.383 -0.559 20 0 DBADRM CC(=O)NCC(=O)N[C@@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001486134772 1013694795 /nfs/dbraw/zinc/69/47/95/1013694795.db2.gz HFSCZSFJIIPTBG-QMTHXVAHSA-N -1 0 322.369 -0.740 20 0 DBADRM CS(=O)(=O)Cc1nc(CNC(=O)CCCC(=O)[O-])n[nH]1 ZINC001604921215 1018488515 /nfs/dbraw/zinc/48/85/15/1018488515.db2.gz MXGULNBEYBFQLF-UHFFFAOYSA-N -1 0 304.328 -0.780 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])o1 ZINC000090276642 967588503 /nfs/dbraw/zinc/58/85/03/967588503.db2.gz ZWJHAYKHHBFTHE-LLVKDONJSA-N -1 0 320.323 -0.905 20 0 DBADRM C[C@H](CN(C)C(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000111774604 967611791 /nfs/dbraw/zinc/61/17/91/967611791.db2.gz VIQCNVBFLBFBJJ-MRVPVSSYSA-N -1 0 309.388 -0.324 20 0 DBADRM COCc1cc(C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])no1 ZINC000168772062 967678643 /nfs/dbraw/zinc/67/86/43/967678643.db2.gz GVXPWHPQYDIQGC-QMMMGPOBSA-N -1 0 300.267 -0.043 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001596001539 1017113360 /nfs/dbraw/zinc/11/33/60/1017113360.db2.gz OHHUFCYLSWITEL-MRVPVSSYSA-N -1 0 310.314 -0.803 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC[C@H]1O ZINC000253207392 967799023 /nfs/dbraw/zinc/79/90/23/967799023.db2.gz XSVZTEGXJLNPOK-MWLCHTKSSA-N -1 0 306.384 -0.270 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000312779156 967956008 /nfs/dbraw/zinc/95/60/08/967956008.db2.gz MYHPVNJMMKNULP-VIFPVBQESA-N -1 0 307.372 -0.904 20 0 DBADRM COc1ccc(S(=O)(=O)CCS(=O)(=O)CC(=O)[O-])cc1 ZINC000312792065 967957501 /nfs/dbraw/zinc/95/75/01/967957501.db2.gz HJYDADSBMGYPCO-UHFFFAOYSA-N -1 0 322.360 -0.032 20 0 DBADRM CC[C@@H](CNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000313887655 967962981 /nfs/dbraw/zinc/96/29/81/967962981.db2.gz OOFIRBOAGFDMKL-UWVGGRQHSA-N -1 0 321.399 -0.228 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)CS(C)(=O)=O)C1 ZINC000315109043 967972001 /nfs/dbraw/zinc/97/20/01/967972001.db2.gz ISDKIMBKZJANQU-BXKDBHETSA-N -1 0 322.383 -0.448 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC[C@H](N2CCOCC2)C1 ZINC000382476770 968097338 /nfs/dbraw/zinc/09/73/38/968097338.db2.gz HJYIRTWFWURGPK-LBPRGKRZSA-N -1 0 320.411 -0.718 20 0 DBADRM O=C([O-])CCCCC(=O)N1CCC(C(=O)NCCO)CC1 ZINC001608709813 1019249120 /nfs/dbraw/zinc/24/91/20/1019249120.db2.gz VSILCGDVLCNNEZ-UHFFFAOYSA-N -1 0 300.355 -0.022 20 0 DBADRM CCN(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)[C@H]1CCS(=O)(=O)C1 ZINC000395651283 968224427 /nfs/dbraw/zinc/22/44/27/968224427.db2.gz KXHURHVVSHURBB-CBAPKCEASA-N -1 0 304.324 -0.749 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000400215173 968295657 /nfs/dbraw/zinc/29/56/57/968295657.db2.gz WTMJQSPRVPEYEI-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM COC(CN(CCC(=O)[O-])S(=O)(=O)N1CCCC1)OC ZINC001610224265 1019649855 /nfs/dbraw/zinc/64/98/55/1019649855.db2.gz KVJMCXUUDFTDCO-UHFFFAOYSA-N -1 0 310.372 -0.277 20 0 DBADRM COCCN(CCNC(=O)c1ccn(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001486428115 1013840069 /nfs/dbraw/zinc/84/00/69/1013840069.db2.gz OJOVUULZOOBNTN-UHFFFAOYSA-N -1 0 322.369 -0.273 20 0 DBADRM O=C(Cc1ccon1)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001486504928 1013852887 /nfs/dbraw/zinc/85/28/87/1013852887.db2.gz PLJFZDWOBZZHHF-UHFFFAOYSA-N -1 0 318.337 -0.011 20 0 DBADRM CC(=O)NC1CC(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001486576788 1013859965 /nfs/dbraw/zinc/85/99/65/1013859965.db2.gz RKKLOYUZUMQOBA-UHFFFAOYSA-N -1 0 311.342 -0.500 20 0 DBADRM CCC(=O)N[C@@H](C)[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001486623897 1013865725 /nfs/dbraw/zinc/86/57/25/1013865725.db2.gz IDDMKTYGZFFRPW-IUCAKERBSA-N -1 0 320.353 -0.509 20 0 DBADRM CC(C)=CC(=O)N(C)[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001486949389 1013906570 /nfs/dbraw/zinc/90/65/70/1013906570.db2.gz YUHQYNOINCRYEO-VIFPVBQESA-N -1 0 311.342 -0.381 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)[C@@H]1CC1(C)C ZINC001486940990 1013906663 /nfs/dbraw/zinc/90/66/63/1013906663.db2.gz RKONKWGSQXNFNG-SFYZADRCSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)c1ccc[nH]1 ZINC001486948268 1013906703 /nfs/dbraw/zinc/90/67/03/1013906703.db2.gz LMWBGZYNQODVSR-MRVPVSSYSA-N -1 0 322.325 -0.706 20 0 DBADRM CC(C)=CC(=O)N(C)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001486949388 1013906987 /nfs/dbraw/zinc/90/69/87/1013906987.db2.gz YUHQYNOINCRYEO-SECBINFHSA-N -1 0 311.342 -0.381 20 0 DBADRM CC[C@H](C)C(=O)N(C)[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001486947429 1013907115 /nfs/dbraw/zinc/90/71/15/1013907115.db2.gz CHHZVPXFKPASMI-IUCAKERBSA-N -1 0 313.358 -0.302 20 0 DBADRM C[C@@]1(C2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)NC(=O)NC1=O ZINC001589240615 969931624 /nfs/dbraw/zinc/93/16/24/969931624.db2.gz XPVDPSIHQYLOQU-WMFXKJRFSA-N -1 0 323.349 -0.066 20 0 DBADRM CCCC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CC ZINC001487091340 1013942876 /nfs/dbraw/zinc/94/28/76/1013942876.db2.gz RLOMITHCKVFRSS-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000317352186 970350259 /nfs/dbraw/zinc/35/02/59/970350259.db2.gz GHBPRQBJBSBPMU-AWEZNQCLSA-N -1 0 313.354 -0.259 20 0 DBADRM COc1cc([N+](=O)[O-])ccc1C(=O)NCC(=O)NCC(=O)[O-] ZINC000317449192 970360701 /nfs/dbraw/zinc/36/07/01/970360701.db2.gz VOLZSUCTGMNZGR-UHFFFAOYSA-N -1 0 311.250 -0.466 20 0 DBADRM CN(C(=O)NCCn1cc(C(=O)[O-])nn1)[C@@H]1CCCC[C@H]1O ZINC000318010425 970402619 /nfs/dbraw/zinc/40/26/19/970402619.db2.gz MTYOZTVMHOQTQR-GHMZBOCLSA-N -1 0 311.342 -0.079 20 0 DBADRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN3C(=O)NC[C@H]3C2)n1 ZINC000318161281 970414509 /nfs/dbraw/zinc/41/45/09/970414509.db2.gz DZMZMICNTQPQAK-ZETCQYMHSA-N -1 0 307.266 -0.098 20 0 DBADRM CCN([C@H]1CCNC1=O)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001596196673 1017120566 /nfs/dbraw/zinc/12/05/66/1017120566.db2.gz KBPXHEQFXGOAOF-QMMMGPOBSA-N -1 0 302.308 -0.123 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000318964366 970492258 /nfs/dbraw/zinc/49/22/58/970492258.db2.gz BQEYUUTWOGTCRK-DTWKUNHWSA-N -1 0 309.322 -0.312 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CC[C@H](C)C[C@H]2C(=O)[O-])CC1 ZINC000319341823 970526134 /nfs/dbraw/zinc/52/61/34/970526134.db2.gz UAYUHOWMIZKFMH-AAEUAGOBSA-N -1 0 311.382 -0.138 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000319911535 970588746 /nfs/dbraw/zinc/58/87/46/970588746.db2.gz MAKNHKVLMQNDIR-JTQLQIEISA-N -1 0 305.290 -0.059 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H](CNC(=O)C1CC1)C1CC1 ZINC001487669968 1014014938 /nfs/dbraw/zinc/01/49/38/1014014938.db2.gz WQXYJRALRGMMII-VIFPVBQESA-N -1 0 321.337 -0.340 20 0 DBADRM CC(C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001487668882 1014015290 /nfs/dbraw/zinc/01/52/90/1014015290.db2.gz MENBJYNIMZNPOR-SECBINFHSA-N -1 0 323.353 -0.094 20 0 DBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C/C(C)=C/C(=O)[O-] ZINC001596207204 1017120991 /nfs/dbraw/zinc/12/09/91/1017120991.db2.gz RBBKTIHMFMMCNO-RUYJGKKWSA-N -1 0 318.395 -0.358 20 0 DBADRM COCC(=O)N[C@@H](C)CN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001487781224 1014034408 /nfs/dbraw/zinc/03/44/08/1014034408.db2.gz MEKHLLLJPREQTD-VIFPVBQESA-N -1 0 321.337 -0.754 20 0 DBADRM CC(C)C(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000393062284 972560568 /nfs/dbraw/zinc/56/05/68/972560568.db2.gz QFACFEDUECRCNH-UHFFFAOYSA-N -1 0 315.351 -0.170 20 0 DBADRM CS(=O)(=O)C1(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000393665436 972625541 /nfs/dbraw/zinc/62/55/41/972625541.db2.gz RBNPSLVXLIMHHE-UHFFFAOYSA-N -1 0 323.348 -0.167 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000393870294 972652819 /nfs/dbraw/zinc/65/28/19/972652819.db2.gz FZAFLMNUINOTEQ-UHFFFAOYSA-N -1 0 321.326 -0.207 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000393874323 972654282 /nfs/dbraw/zinc/65/42/82/972654282.db2.gz WFMUPLMXSKYHIF-UHFFFAOYSA-N -1 0 321.326 -0.207 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000393878573 972654564 /nfs/dbraw/zinc/65/45/64/972654564.db2.gz ASOPPRHXMHODHU-UHFFFAOYSA-N -1 0 304.324 -0.951 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCC(C)(CO)CO ZINC000393874381 972654734 /nfs/dbraw/zinc/65/47/34/972654734.db2.gz WZFSMAJJRUQPKY-UHFFFAOYSA-N -1 0 317.363 -0.038 20 0 DBADRM CC(C)=CC(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001487848274 1014043869 /nfs/dbraw/zinc/04/38/69/1014043869.db2.gz PDBYNNWXWVGXCQ-MRVPVSSYSA-N -1 0 309.326 -0.174 20 0 DBADRM C[C@H](O)CCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001605053940 972671552 /nfs/dbraw/zinc/67/15/52/972671552.db2.gz OLSFZFASCGTKJV-QMMMGPOBSA-N -1 0 312.326 -0.472 20 0 DBADRM Cn1nnc(Br)c1C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000394161580 972678373 /nfs/dbraw/zinc/67/83/73/972678373.db2.gz ZCMRRGVYANUKNW-VIFPVBQESA-N -1 0 319.115 -0.449 20 0 DBADRM CN(c1ccnc(C(=O)[O-])n1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000394309526 972699287 /nfs/dbraw/zinc/69/92/87/972699287.db2.gz ZEVXLCNEXRCAAB-QMMMGPOBSA-N -1 0 300.340 -0.355 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000395196706 972780593 /nfs/dbraw/zinc/78/05/93/972780593.db2.gz DGRVEVGMSBNZKR-UHFFFAOYSA-N -1 0 319.310 -0.094 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC000395203601 972781453 /nfs/dbraw/zinc/78/14/53/972781453.db2.gz HUPVWIGFMSXPFR-UHFFFAOYSA-N -1 0 302.308 -0.838 20 0 DBADRM C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000395410457 972795959 /nfs/dbraw/zinc/79/59/59/972795959.db2.gz HVEQOQZBPJIPDL-ZUZCIYMTSA-N -1 0 306.318 -0.147 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)Cn2c(=O)oc3ccccc32)C1 ZINC000395443868 972799569 /nfs/dbraw/zinc/79/95/69/972799569.db2.gz WCFNDLUQLFGOQA-CQSZACIVSA-N -1 0 306.274 -0.358 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C[C@H]1O ZINC000395784272 972830618 /nfs/dbraw/zinc/83/06/18/972830618.db2.gz GCWWDVLYMIIYSQ-HTQZYQBOSA-N -1 0 307.349 -0.174 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC=CCC2)c1[O-] ZINC001487938622 1014065167 /nfs/dbraw/zinc/06/51/67/1014065167.db2.gz KOTJGCJMUMCTQN-MNOVXSKESA-N -1 0 322.365 -0.013 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@H]1CCNC(=O)CC1 ZINC000396624532 972924700 /nfs/dbraw/zinc/92/47/00/972924700.db2.gz BWOMIQIAHNNCOT-ZCFIWIBFSA-N -1 0 302.312 -0.945 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCc3c[nH]nc3C2)c1C(=O)[O-] ZINC000396788807 972938096 /nfs/dbraw/zinc/93/80/96/972938096.db2.gz ATMDOLOELUZFQC-UHFFFAOYSA-N -1 0 311.323 -0.114 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N2CC[C@@H](O)[C@H](CO)C2)c1 ZINC000396883093 972947595 /nfs/dbraw/zinc/94/75/95/972947595.db2.gz MBKDQFJLQPNJJS-VHSXEESVSA-N -1 0 316.335 -0.856 20 0 DBADRM CNC(=O)NC1CCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC000396865733 972947628 /nfs/dbraw/zinc/94/76/28/972947628.db2.gz FGUHJRSBFPHSMT-UHFFFAOYSA-N -1 0 302.331 -0.809 20 0 DBADRM CNC(=O)NCCNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000397420262 972999670 /nfs/dbraw/zinc/99/96/70/972999670.db2.gz GMQQKSKBUUMJOP-UHFFFAOYSA-N -1 0 301.324 -0.408 20 0 DBADRM Cn1nnc(CNS(=O)(=O)c2ccsc2C(=O)[O-])n1 ZINC000398172493 973078308 /nfs/dbraw/zinc/07/83/08/973078308.db2.gz ZBTWWUYZCZEADG-UHFFFAOYSA-N -1 0 303.325 -0.552 20 0 DBADRM C[C@@H](NC(=O)c1cccs1)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC000398223514 973085107 /nfs/dbraw/zinc/08/51/07/973085107.db2.gz FBVNTSCODQORLK-SFYZADRCSA-N -1 0 300.336 -0.182 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC000398233753 973088144 /nfs/dbraw/zinc/08/81/44/973088144.db2.gz KCHYHTOBVSAAAD-VIFPVBQESA-N -1 0 317.319 -0.413 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])cc1 ZINC000398251895 973091758 /nfs/dbraw/zinc/09/17/58/973091758.db2.gz XBHUMFIJOYXRLN-SECBINFHSA-N -1 0 316.335 -0.840 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CNC(=O)C2)s1 ZINC000398411908 973137697 /nfs/dbraw/zinc/13/76/97/973137697.db2.gz RGFLTMHDYKFPSB-LURJTMIESA-N -1 0 304.349 -0.139 20 0 DBADRM C[C@H]1C[C@H](CO)CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000398742295 973168200 /nfs/dbraw/zinc/16/82/00/973168200.db2.gz MMDPEDQPWZHLEQ-YUMQZZPRSA-N -1 0 303.340 -0.253 20 0 DBADRM C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000398890720 973179887 /nfs/dbraw/zinc/17/98/87/973179887.db2.gz MRGGLCFLTKZILH-YLVJLNSGSA-N -1 0 323.396 -0.645 20 0 DBADRM CCN(CC(OC)OC)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001596236881 1017123392 /nfs/dbraw/zinc/12/33/92/1017123392.db2.gz GCFDVPWPVGOGOK-UHFFFAOYSA-N -1 0 321.355 -0.403 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001487977248 1014090161 /nfs/dbraw/zinc/09/01/61/1014090161.db2.gz LWPGQTJRTYPTJV-OPRDCNLKSA-N -1 0 310.354 -0.323 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)Nc1cc(C(=O)[O-])nn1C ZINC001596277881 1017123407 /nfs/dbraw/zinc/12/34/07/1017123407.db2.gz RFCKXSCNSNLPOA-UHFFFAOYSA-N -1 0 318.355 -0.272 20 0 DBADRM C/C(=C\C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001487977238 1014090271 /nfs/dbraw/zinc/09/02/71/1014090271.db2.gz LSDQDGTYKFWXMC-BWNDKRECSA-N -1 0 322.365 -0.013 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NCc2ncc(C(=O)[O-])s2)C1 ZINC000400151097 973254353 /nfs/dbraw/zinc/25/43/53/973254353.db2.gz QIBSQAWAWZHEHF-ZETCQYMHSA-N -1 0 305.381 -0.035 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CCCC(=O)[O-])C[C@H](C)S1(=O)=O ZINC000400907783 973330092 /nfs/dbraw/zinc/33/00/92/973330092.db2.gz XGPBQDUFGYIALQ-IUCAKERBSA-N -1 0 313.397 -0.312 20 0 DBADRM CO[C@@]1(CO)CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000401742578 973381644 /nfs/dbraw/zinc/38/16/44/973381644.db2.gz SMEUOXLBQLZTAD-NSHDSACASA-N -1 0 310.372 -0.889 20 0 DBADRM CO[C@@]1(CO)CCCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000401751438 973383140 /nfs/dbraw/zinc/38/31/40/973383140.db2.gz XZNWBIYONZANAO-NSHDSACASA-N -1 0 319.339 -0.730 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401785083 973390029 /nfs/dbraw/zinc/39/00/29/973390029.db2.gz KARLAROUIZQXSS-AXFHLTTASA-N -1 0 315.370 -0.232 20 0 DBADRM CCOC(=O)CCCNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401815848 973414114 /nfs/dbraw/zinc/41/41/14/973414114.db2.gz IAQBQMVYVSMWEC-VHSXEESVSA-N -1 0 302.327 -0.193 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1C ZINC000401820971 973420547 /nfs/dbraw/zinc/42/05/47/973420547.db2.gz JZCJVCSPXGUKBV-UWVGGRQHSA-N -1 0 309.322 -0.695 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(CC(=O)NC(=O)NC2CCCC2)C1 ZINC000401865821 973465508 /nfs/dbraw/zinc/46/55/08/973465508.db2.gz FWUBPVLVCSDKEK-KOLCDFICSA-N -1 0 313.354 -0.478 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000401868384 973469984 /nfs/dbraw/zinc/46/99/84/973469984.db2.gz WMYVHVKOWXXZAN-RKDXNWHRSA-N -1 0 310.331 -0.097 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)CNC(=O)c2cccc(F)c2)C1 ZINC000401881354 973488849 /nfs/dbraw/zinc/48/88/49/973488849.db2.gz OCNZLHQSEGXCQO-CMPLNLGQSA-N -1 0 324.308 -0.151 20 0 DBADRM COCCn1cc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cn1 ZINC000401899433 973504000 /nfs/dbraw/zinc/50/40/00/973504000.db2.gz PKBDWKOUIYWONK-KOLCDFICSA-N -1 0 312.326 -0.171 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2ccc(-n3cncn3)nc2)C1 ZINC000401902591 973510620 /nfs/dbraw/zinc/51/06/20/973510620.db2.gz FYDIHRJTJZMUGS-WDEREUQCSA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCC(=O)N2CCCCC2)C1 ZINC000401904880 973513513 /nfs/dbraw/zinc/51/35/13/973513513.db2.gz SURJXVPJXGVIEY-MNOVXSKESA-N -1 0 313.354 -0.524 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1 ZINC000401911133 973524264 /nfs/dbraw/zinc/52/42/64/973524264.db2.gz LDFLAKDNBOMWFD-KXNHARMFSA-N -1 0 320.411 -0.024 20 0 DBADRM COC[C@]1(C(=O)[O-])CC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC001604541937 973529567 /nfs/dbraw/zinc/52/95/67/973529567.db2.gz MXGSMVBCSUFIGB-DOMZBBRYSA-N -1 0 322.365 -0.052 20 0 DBADRM COC[C@]1(C(=O)[O-])CC[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC001604541944 973529605 /nfs/dbraw/zinc/52/96/05/973529605.db2.gz MXGSMVBCSUFIGB-WFASDCNBSA-N -1 0 322.365 -0.052 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H](C)c2ccnn2C)CCO1 ZINC001604541963 973529668 /nfs/dbraw/zinc/52/96/68/973529668.db2.gz XJGPSWWNHCTCAM-IINYFYTJSA-N -1 0 311.338 -0.148 20 0 DBADRM CCn1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)nc1C ZINC000401926153 973538850 /nfs/dbraw/zinc/53/88/50/973538850.db2.gz RIBXQGKOVIOUTM-ZJUUUORDSA-N -1 0 317.367 -0.332 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)Cn2c(=O)oc3ccccc32)C1 ZINC000401950328 973555760 /nfs/dbraw/zinc/55/57/60/973555760.db2.gz UJWWXFLYPZFVJZ-UWVGGRQHSA-N -1 0 320.301 -0.112 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000401954189 973560679 /nfs/dbraw/zinc/56/06/79/973560679.db2.gz WWJRXVFQDKOYBQ-NXEZZACHSA-N -1 0 320.301 -0.075 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC000401966960 973572590 /nfs/dbraw/zinc/57/25/90/973572590.db2.gz GFYVPNBXEUUGRW-VWYCJHECSA-N -1 0 306.384 -0.270 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401975251 973583245 /nfs/dbraw/zinc/58/32/45/973583245.db2.gz SLZBJZCKCJACIY-RKDXNWHRSA-N -1 0 309.340 -0.963 20 0 DBADRM CN(C)c1noc(CNS(=O)(=O)C2(C(=O)[O-])CCC2)n1 ZINC001573865052 1026647227 /nfs/dbraw/zinc/64/72/27/1026647227.db2.gz HGYOSDSQHJYGJW-UHFFFAOYSA-N -1 0 304.328 -0.438 20 0 DBADRM COC1(C(=O)N2CCC[C@H](NC(=O)[O-])C2)CS(=O)(=O)C1 ZINC001573949901 1026673014 /nfs/dbraw/zinc/67/30/14/1026673014.db2.gz WESFYEMYDBYCAQ-QMMMGPOBSA-N -1 0 306.340 -0.941 20 0 DBADRM C/C=C(\C)C(=O)N[C@H](C)CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001526753656 1014138193 /nfs/dbraw/zinc/13/81/93/1014138193.db2.gz XDNOAMIIXLGFNX-VGANXODHSA-N -1 0 323.353 -0.198 20 0 DBADRM CCN(CCC(=O)NC)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001596300073 1017126887 /nfs/dbraw/zinc/12/68/87/1017126887.db2.gz LKNCUTPCQVLNMY-AWEZNQCLSA-N -1 0 313.354 -0.706 20 0 DBADRM C[C@@H](CNC(=O)[C@@]1(C)C=CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001526882452 1014150564 /nfs/dbraw/zinc/15/05/64/1014150564.db2.gz CIBSKBXAKAXUPQ-RTHLEPHNSA-N -1 0 321.337 -0.126 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC000417472383 973955074 /nfs/dbraw/zinc/95/50/74/973955074.db2.gz IPSQYVJBQWMTTL-HTQZYQBOSA-N -1 0 311.381 -0.373 20 0 DBADRM CCC1(C(=O)NC[C@@H](C)NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001526965950 1014165951 /nfs/dbraw/zinc/16/59/51/1014165951.db2.gz VJQCIHTWICUESB-SECBINFHSA-N -1 0 322.365 -0.089 20 0 DBADRM CCN(CCNC(=O)Cc1cc[nH]n1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596334656 1017130620 /nfs/dbraw/zinc/13/06/20/1017130620.db2.gz QKXGOJJDNCSOPR-GHMZBOCLSA-N -1 0 308.338 -0.362 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)CC(=O)N=[S@](C)(=O)N(C)C ZINC001591710933 975588838 /nfs/dbraw/zinc/58/88/38/975588838.db2.gz ANYNMOCZEXTADL-UZJPJQLHSA-N -1 0 323.415 -0.103 20 0 DBADRM Cc1cc(=O)n2nc(NC(=O)c3cccn(C)c3=O)[n-]c2n1 ZINC001527690180 1014280393 /nfs/dbraw/zinc/28/03/93/1014280393.db2.gz BKICNIOKYXGKRB-UHFFFAOYSA-N -1 0 300.278 -0.323 20 0 DBADRM CC[C@@H](CO)C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000909204189 977434014 /nfs/dbraw/zinc/43/40/14/977434014.db2.gz SSCAXVUEIGBEDQ-JTQLQIEISA-N -1 0 300.355 -0.214 20 0 DBADRM Cc1ccn(CC(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC000909203892 977434184 /nfs/dbraw/zinc/43/41/84/977434184.db2.gz QEYJHDQJAPRHOY-UHFFFAOYSA-N -1 0 322.365 -0.027 20 0 DBADRM COCCN(C)S(=O)(=O)N1[C@@H](C(=O)[O-])C[C@@H]2OCC[C@@H]21 ZINC000926597355 977445467 /nfs/dbraw/zinc/44/54/67/977445467.db2.gz SPHVRAALIDCIJD-AEJSXWLSSA-N -1 0 308.356 -0.874 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2OCC[C@@H]2N1S(=O)(=O)C[C@@H]1CCOC1 ZINC000926596197 977445696 /nfs/dbraw/zinc/44/56/96/977445696.db2.gz LNEYJXCYCUTGQK-RCWTZXSCSA-N -1 0 305.352 -0.331 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2OCC[C@@H]2N1S(=O)(=O)C[C@H]1CCOC1 ZINC000926596195 977445965 /nfs/dbraw/zinc/44/59/65/977445965.db2.gz LNEYJXCYCUTGQK-MMWGEVLESA-N -1 0 305.352 -0.331 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001051985062 977588813 /nfs/dbraw/zinc/58/88/13/977588813.db2.gz RXFOLOAVSVIALT-GFCCVEGCSA-N -1 0 322.413 -0.115 20 0 DBADRM CC(C)C(=O)N1CC[C@H](N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001051985063 977589679 /nfs/dbraw/zinc/58/96/79/977589679.db2.gz RXFOLOAVSVIALT-LBPRGKRZSA-N -1 0 322.413 -0.115 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001052256159 977681377 /nfs/dbraw/zinc/68/13/77/977681377.db2.gz SHGFRBBWYRFTEH-VHSXEESVSA-N -1 0 322.369 -0.740 20 0 DBADRM CCC[C@@H](C)C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001528477817 1014420262 /nfs/dbraw/zinc/42/02/62/1014420262.db2.gz AXKVHNLUDCGIGG-SECBINFHSA-N -1 0 313.358 -0.300 20 0 DBADRM CC(C)[C@H](F)C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001528479020 1014420271 /nfs/dbraw/zinc/42/02/71/1014420271.db2.gz SADKJDMYZBKNJT-VIFPVBQESA-N -1 0 317.321 -0.742 20 0 DBADRM CC(C)[C@@H](F)C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001528479017 1014422285 /nfs/dbraw/zinc/42/22/85/1014422285.db2.gz SADKJDMYZBKNJT-SECBINFHSA-N -1 0 317.321 -0.742 20 0 DBADRM CC[C@H](F)C(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001528522258 1014428598 /nfs/dbraw/zinc/42/85/98/1014428598.db2.gz GTXJDMMRHPTBEL-VIFPVBQESA-N -1 0 314.317 -0.578 20 0 DBADRM O=C(C1CCC1)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053117863 977855061 /nfs/dbraw/zinc/85/50/61/977855061.db2.gz QRMHVILCFBKLGR-UHFFFAOYSA-N -1 0 307.354 -0.276 20 0 DBADRM O=C(/C=C\C1CC1)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053200042 977880918 /nfs/dbraw/zinc/88/09/18/977880918.db2.gz ADEAFANVBFNTFQ-ARJAWSKDSA-N -1 0 319.365 -0.110 20 0 DBADRM C/C=C(\C)C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053208627 977882939 /nfs/dbraw/zinc/88/29/39/977882939.db2.gz QEMOZLGSYNREQA-XCVCLJGOSA-N -1 0 307.354 -0.110 20 0 DBADRM COCCN1CC2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])CCO2 ZINC001053224923 977885053 /nfs/dbraw/zinc/88/50/53/977885053.db2.gz CDCZXFGCOIZMCZ-UHFFFAOYSA-N -1 0 310.354 -0.403 20 0 DBADRM CCCN1CC2(C1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)CCO2 ZINC001053327305 977927680 /nfs/dbraw/zinc/92/76/80/977927680.db2.gz ZQDFXOUICVFOLW-UHFFFAOYSA-N -1 0 309.326 -0.780 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053412437 977952100 /nfs/dbraw/zinc/95/21/00/977952100.db2.gz VUGAOIKWRJIFHW-WDEREUQCSA-N -1 0 321.381 -0.030 20 0 DBADRM CC(C)N1CC2(C1)CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)O2 ZINC001053627310 978012972 /nfs/dbraw/zinc/01/29/72/978012972.db2.gz UKXPCRLCJKCOEN-VIFPVBQESA-N -1 0 323.353 -0.346 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2COC3(CN(CCCO)C3)C2)c1[O-] ZINC001053774680 978067696 /nfs/dbraw/zinc/06/76/96/978067696.db2.gz HOKYBYPHAVBJBZ-SNVBAGLBSA-N -1 0 310.354 -0.621 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1cc[nH]c1 ZINC001053817173 978090737 /nfs/dbraw/zinc/09/07/37/978090737.db2.gz GCHYMJWEVMVWFT-SNVBAGLBSA-N -1 0 318.337 -0.388 20 0 DBADRM CCN1CC2(C1)C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)CO2 ZINC001053891249 978135316 /nfs/dbraw/zinc/13/53/16/978135316.db2.gz QWBWWNBFNLEYKH-VIFPVBQESA-N -1 0 308.338 -0.921 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)CSCC(=O)N1CCOCC1 ZINC001141346029 978150371 /nfs/dbraw/zinc/15/03/71/978150371.db2.gz WVUHIKOQSJFRRL-NSHDSACASA-N -1 0 320.411 -0.357 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208544929 978388156 /nfs/dbraw/zinc/38/81/56/978388156.db2.gz ZECZMGJFIYQVPU-OPRDCNLKSA-N -1 0 313.358 -0.892 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)CC(C)C ZINC001528975647 1014498543 /nfs/dbraw/zinc/49/85/43/1014498543.db2.gz LJVOTUMCZMURFM-UHFFFAOYSA-N -1 0 311.342 -0.093 20 0 DBADRM CCCOCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001211983518 978602750 /nfs/dbraw/zinc/60/27/50/978602750.db2.gz HGJZNTDUCZASGV-NXEZZACHSA-N -1 0 313.358 -0.748 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)CCCCC(N)=O ZINC001488679707 1014511059 /nfs/dbraw/zinc/51/10/59/1014511059.db2.gz TUGLMCCOCLCYPO-SNVBAGLBSA-N -1 0 324.385 -0.411 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001212384691 978653233 /nfs/dbraw/zinc/65/32/33/978653233.db2.gz WVQITZISQZBDGX-GHMZBOCLSA-N -1 0 306.384 -0.069 20 0 DBADRM COC(=O)c1n[n-]c(C(=O)OC)c1O[C@@H](CCO)C(=O)OC ZINC001218222696 978822647 /nfs/dbraw/zinc/82/26/47/978822647.db2.gz YMKWCGCATUBFNJ-LURJTMIESA-N -1 0 316.266 -0.714 20 0 DBADRM O=C(Nc1nc[n-]c(=O)c1Br)[C@@H]1COCCN1 ZINC001218679859 978843510 /nfs/dbraw/zinc/84/35/10/978843510.db2.gz ZEKFLHMXPIJALS-YFKPBYRVSA-N -1 0 303.116 -0.128 20 0 DBADRM [NH3+][C@@H](Cc1nnn[n-]1)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC001218836477 978854973 /nfs/dbraw/zinc/85/49/73/978854973.db2.gz JBWHSYRTVJTMQY-NSHDSACASA-N -1 0 313.325 -0.652 20 0 DBADRM Cn1cc(N)nc1C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001218963513 978863394 /nfs/dbraw/zinc/86/33/94/978863394.db2.gz RNJFDFVQZFYJAT-UHFFFAOYSA-N -1 0 321.318 -0.313 20 0 DBADRM O=C(C=Cc1ccco1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219115623 978876900 /nfs/dbraw/zinc/87/69/00/978876900.db2.gz DBASCZARHNVMRZ-CJOPTALJSA-N -1 0 319.321 -0.522 20 0 DBADRM CSC[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219368755 978924305 /nfs/dbraw/zinc/92/43/05/978924305.db2.gz PXRYKSGQVMTGQU-HLTSFMKQSA-N -1 0 315.399 -0.829 20 0 DBADRM CCC(C)(C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219693742 978995841 /nfs/dbraw/zinc/99/58/41/978995841.db2.gz RJEWOHCSCOZZSV-ZJUUUORDSA-N -1 0 311.386 -0.002 20 0 DBADRM C[C@@H](CC(F)F)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220030002 979072189 /nfs/dbraw/zinc/07/21/89/979072189.db2.gz SMQMCMVDAFJHCH-RNJXMRFFSA-N -1 0 319.312 -0.537 20 0 DBADRM N[C@@H](C[NH3+])c1ccc(C(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001220220898 979140557 /nfs/dbraw/zinc/14/05/57/979140557.db2.gz JYVRFGRIMFEWBI-JTQLQIEISA-N -1 0 303.255 -0.516 20 0 DBADRM CCC[C@@H](CC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220631159 979252982 /nfs/dbraw/zinc/25/29/82/979252982.db2.gz GPOMTBFNSGPTQM-MXWKQRLJSA-N -1 0 311.386 -0.002 20 0 DBADRM CCC[C@H](CC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220631157 979254434 /nfs/dbraw/zinc/25/44/34/979254434.db2.gz GPOMTBFNSGPTQM-AXFHLTTASA-N -1 0 311.386 -0.002 20 0 DBADRM CCOCCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221434025 979422559 /nfs/dbraw/zinc/42/25/59/979422559.db2.gz CLAQQSGZQUMRPX-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001529673315 1014578128 /nfs/dbraw/zinc/57/81/28/1014578128.db2.gz PBLRBANWSNNXKI-UHFFFAOYSA-N -1 0 309.326 -0.658 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCCn1ccnc1 ZINC001222134203 979497309 /nfs/dbraw/zinc/49/73/09/979497309.db2.gz BRQPJOKUAXNJFC-GFCCVEGCSA-N -1 0 319.383 -0.512 20 0 DBADRM CNC(=O)C(C)(C)O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001222570396 979520276 /nfs/dbraw/zinc/52/02/76/979520276.db2.gz YYJLSHQPYJTMSW-JTQLQIEISA-N -1 0 324.399 -0.884 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OCc1c[nH]cn1 ZINC001222999718 979535624 /nfs/dbraw/zinc/53/56/24/979535624.db2.gz GOVDNKYKWTWBDO-NSHDSACASA-N -1 0 305.356 -0.485 20 0 DBADRM CC(C)[C@@H](O)C(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001223081067 979538188 /nfs/dbraw/zinc/53/81/88/979538188.db2.gz AYKWDECMNVLYNB-GFCCVEGCSA-N -1 0 311.386 -0.145 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCc1ccncn1 ZINC001223205972 979543776 /nfs/dbraw/zinc/54/37/76/979543776.db2.gz CPHJZDFFKGTWLX-GFCCVEGCSA-N -1 0 317.367 -0.418 20 0 DBADRM O=C(Cn1nccn1)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001223334087 979545811 /nfs/dbraw/zinc/54/58/11/979545811.db2.gz MGPQHMIEQSPYDC-UHFFFAOYSA-N -1 0 320.357 -0.870 20 0 DBADRM CS(=O)(=O)c1cccc(COC(=O)[C@@H](O)CC(=O)[O-])c1 ZINC001223443256 979551573 /nfs/dbraw/zinc/55/15/73/979551573.db2.gz VHOWDWWUUMYPCI-JTQLQIEISA-N -1 0 302.304 -0.031 20 0 DBADRM CC(C)(C(N)=O)C(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001223533811 979553651 /nfs/dbraw/zinc/55/36/51/979553651.db2.gz QKZLIMOWKVPSPQ-UHFFFAOYSA-N -1 0 324.385 -0.650 20 0 DBADRM Cc1nonc1CO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001223980450 979560915 /nfs/dbraw/zinc/56/09/15/979560915.db2.gz GDBHXZBOGXQTHK-JTQLQIEISA-N -1 0 321.355 -0.517 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])CC1=O ZINC001596401271 1017137507 /nfs/dbraw/zinc/13/75/07/1017137507.db2.gz ALHQZOYOCRYUBH-ZJUUUORDSA-N -1 0 304.368 -0.220 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001224539619 979573795 /nfs/dbraw/zinc/57/37/95/979573795.db2.gz JQBLDLSVGDGKOT-NXEZZACHSA-N -1 0 310.358 -0.837 20 0 DBADRM COC(=O)CN1C[C@H](OCCCC[P@@](=O)([O-])O)CC1=O ZINC001225019049 979590048 /nfs/dbraw/zinc/59/00/48/979590048.db2.gz PQSKCQAMNAFKMQ-SECBINFHSA-N -1 0 309.255 -0.265 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1ccncn1 ZINC001225590939 979601555 /nfs/dbraw/zinc/60/15/55/979601555.db2.gz ZNNFGVXZPHNYAK-JTQLQIEISA-N -1 0 303.340 -0.556 20 0 DBADRM COC(=O)c1cc(=O)[n-]c(O[C@@H]2C[C@@H](C(=O)OC)N(C)C2)n1 ZINC001225730222 979604226 /nfs/dbraw/zinc/60/42/26/979604226.db2.gz HDPKDEFFQOXFQN-APPZFPTMSA-N -1 0 311.294 -0.407 20 0 DBADRM CC(=O)O[C@H]1CO[C@@H]2[C@H](Oc3[n-]c(=O)ncc3F)CO[C@@H]21 ZINC001225885650 979612768 /nfs/dbraw/zinc/61/27/68/979612768.db2.gz NWFKGNHJNAGPJG-SGIHWFKDSA-N -1 0 300.242 -0.202 20 0 DBADRM CCOC(=O)c1cnc(=O)[nH]c1OC(=O)[C@H](O)CC(=O)[O-] ZINC001225898617 979612908 /nfs/dbraw/zinc/61/29/08/979612908.db2.gz CJEIFZVAWPMHAH-ZCFIWIBFSA-N -1 0 300.223 -0.900 20 0 DBADRM NC(=O)c1ccc(C(F)(F)F)nc1OC(=O)[C@H](O)CC(=O)[O-] ZINC001225991484 979615076 /nfs/dbraw/zinc/61/50/76/979615076.db2.gz CAKPTYHKQPWMCO-RXMQYKEDSA-N -1 0 322.195 -0.060 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N(CCNC(=O)CC(N)=O)C1CC1 ZINC001529727574 1014588986 /nfs/dbraw/zinc/58/89/86/1014588986.db2.gz STJNQFIOEZFUPO-UHFFFAOYSA-N -1 0 321.337 -0.913 20 0 DBADRM CC1(C)O[C@H]2O[C@@H]3[C@H](Oc4nccc(=O)[n-]4)C(=O)O[C@@H]3[C@H]2O1 ZINC001226325340 979630560 /nfs/dbraw/zinc/63/05/60/979630560.db2.gz AHLVPVIRMZNBBX-HTFKAIDBSA-N -1 0 310.262 -0.269 20 0 DBADRM CCNC(=O)CCC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001226564144 979635863 /nfs/dbraw/zinc/63/58/63/979635863.db2.gz SJXNDUGQVBAWOE-UHFFFAOYSA-N -1 0 324.385 -0.493 20 0 DBADRM COCCOCC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001226649573 979640273 /nfs/dbraw/zinc/64/02/73/979640273.db2.gz VQBQRKQYQMPKKB-UHFFFAOYSA-N -1 0 313.358 -0.746 20 0 DBADRM COC(=O)C[C@H](Oc1[n-]c(=O)nc2cnncc21)C(=O)OC ZINC001226688246 979640473 /nfs/dbraw/zinc/64/04/73/979640473.db2.gz OSMLAZDEPKQBIT-QMMMGPOBSA-N -1 0 308.250 -0.391 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001595154527 979659880 /nfs/dbraw/zinc/65/98/80/979659880.db2.gz NTUCUZDRYPGHLL-UWVGGRQHSA-N -1 0 321.337 -0.240 20 0 DBADRM COC(=O)c1nnc(OC[C@H](COC(C)=O)OC(C)=O)[n-]1 ZINC001228310349 979670270 /nfs/dbraw/zinc/67/02/70/979670270.db2.gz FHWNHLGUVAZGIV-QMMMGPOBSA-N -1 0 301.255 -0.535 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)Oc1ccc(C(=O)N2CCOCC2)cc1 ZINC001228331985 979673213 /nfs/dbraw/zinc/67/32/13/979673213.db2.gz FSUPCSBSMQIFJU-LBPRGKRZSA-N -1 0 323.301 -0.100 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001595159794 979678313 /nfs/dbraw/zinc/67/83/13/979678313.db2.gz LYCQRQLDVKAPDE-AEJSXWLSSA-N -1 0 321.337 -0.397 20 0 DBADRM CC[C@H](CNC(=O)c1cnn(C)n1)Nc1ncc(C(=O)[O-])cn1 ZINC001595162989 979692054 /nfs/dbraw/zinc/69/20/54/979692054.db2.gz BDBOEFFUYCELNA-SECBINFHSA-N -1 0 319.325 -0.076 20 0 DBADRM O=C([O-])COCCNC(=O)[C@H]1COCCN1CC(F)(F)F ZINC001326421320 979736974 /nfs/dbraw/zinc/73/69/74/979736974.db2.gz KMTGKYQTDKASGD-MRVPVSSYSA-N -1 0 314.260 -0.533 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1nnc(-c2ccncc2)[nH]1 ZINC001326505553 979738207 /nfs/dbraw/zinc/73/82/07/979738207.db2.gz IXHQKSLPWYHXMN-UHFFFAOYSA-N -1 0 319.325 -0.266 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1OC ZINC001326702908 979756375 /nfs/dbraw/zinc/75/63/75/979756375.db2.gz OWSPQOJGXCJAQH-NXEZZACHSA-N -1 0 301.343 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1Cc2ccccc2CO1 ZINC001326716021 979760672 /nfs/dbraw/zinc/76/06/72/979760672.db2.gz KDIYXNJDYMURQM-UHFFFAOYSA-N -1 0 307.306 -0.356 20 0 DBADRM COc1ccc(CNC(=O)C(=O)[N-]OC2CCOCC2)nc1 ZINC001326722923 979760773 /nfs/dbraw/zinc/76/07/73/979760773.db2.gz QPVLTDMCNHKWKM-UHFFFAOYSA-N -1 0 309.322 -0.067 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC001327038015 979788983 /nfs/dbraw/zinc/78/89/83/979788983.db2.gz KIYZOLCCKDIYEU-RKDXNWHRSA-N -1 0 303.384 -0.477 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001327208578 979797032 /nfs/dbraw/zinc/79/70/32/979797032.db2.gz MEIDLHRQWIFRAE-JTQLQIEISA-N -1 0 304.368 -0.960 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001327210460 979797353 /nfs/dbraw/zinc/79/73/53/979797353.db2.gz IAGNJEHGELRVCP-SECBINFHSA-N -1 0 317.411 -0.087 20 0 DBADRM Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)C(=O)NCCC(=O)[O-] ZINC001329722849 979807754 /nfs/dbraw/zinc/80/77/54/979807754.db2.gz AURWRZBVDLKNFI-SNVBAGLBSA-N -1 0 321.333 -0.530 20 0 DBADRM COC/C=C/C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001330610133 979827408 /nfs/dbraw/zinc/82/74/08/979827408.db2.gz BXOJOUGWYDYTGO-PBKGFPTLSA-N -1 0 315.351 -0.148 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1SCCS1 ZINC001331055394 979853352 /nfs/dbraw/zinc/85/33/52/979853352.db2.gz HVEDNRGGNZWYOL-UHFFFAOYSA-N -1 0 307.397 -0.907 20 0 DBADRM CC(C)(O)CONC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001331713748 979893758 /nfs/dbraw/zinc/89/37/58/979893758.db2.gz AWAPAVJKPGQPHL-UHFFFAOYSA-N -1 0 303.340 -0.115 20 0 DBADRM CCOC(=O)CN(C)S(=O)(=O)[N-]C(=O)CCCSC ZINC001331973811 979901219 /nfs/dbraw/zinc/90/12/19/979901219.db2.gz GUYRGDAIGPBDHM-UHFFFAOYSA-N -1 0 312.413 -0.015 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001343015289 979916446 /nfs/dbraw/zinc/91/64/46/979916446.db2.gz DXROODIJMDMNKD-SECBINFHSA-N -1 0 301.343 -0.804 20 0 DBADRM C[C@H](C[C@@H]1CCOC1)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001343036034 979917835 /nfs/dbraw/zinc/91/78/35/979917835.db2.gz APQGMTLVAKZQDT-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001343052048 979918367 /nfs/dbraw/zinc/91/83/67/979918367.db2.gz OWWLZWWHCRPAGE-AXFHLTTASA-N -1 0 313.354 -0.898 20 0 DBADRM C[C@@H]1C[C@H](CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)[C@H](C)O1 ZINC001343146793 979922930 /nfs/dbraw/zinc/92/29/30/979922930.db2.gz AVKNBUOURGVRQE-OUAUKWLOSA-N -1 0 313.354 -0.262 20 0 DBADRM C/C=C(\C)C(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001344204349 979988221 /nfs/dbraw/zinc/98/82/21/979988221.db2.gz MGGQTVGZFCOIRH-SWNVIQRVSA-N -1 0 321.337 -0.126 20 0 DBADRM NS(=O)(=O)c1cnn(CC(=O)[N-]OCc2cccnc2)c1 ZINC001344523319 979999640 /nfs/dbraw/zinc/99/96/40/979999640.db2.gz FFMGKMJQXXUKPD-UHFFFAOYSA-N -1 0 311.323 -0.827 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1Cc2cc(OC)c(OC)cc2N1 ZINC001344947424 980021972 /nfs/dbraw/zinc/02/19/72/980021972.db2.gz QVBUTVGROSSGTH-SNVBAGLBSA-N -1 0 309.322 -0.166 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1cc(C(=O)OC)c(C)o1 ZINC001345160680 980035557 /nfs/dbraw/zinc/03/55/57/980035557.db2.gz MSQDTPADLNQHTH-UHFFFAOYSA-N -1 0 314.294 -0.315 20 0 DBADRM Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001345290485 980045164 /nfs/dbraw/zinc/04/51/64/980045164.db2.gz OSDURNHYKCUJIH-GXSJLCMTSA-N -1 0 310.354 -0.010 20 0 DBADRM Cc1nc(S(=O)(=O)CCC[N-]C(=O)C(F)(F)F)n[nH]1 ZINC001345376764 980051636 /nfs/dbraw/zinc/05/16/36/980051636.db2.gz HKMSKFMKAUNAJH-UHFFFAOYSA-N -1 0 300.262 -0.045 20 0 DBADRM CCN1CC[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1=O ZINC001596409832 1017138939 /nfs/dbraw/zinc/13/89/39/1017138939.db2.gz FHJRSDLTFRHCSP-JTQLQIEISA-N -1 0 319.383 -0.762 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)C(=O)NCCCC(=O)[O-] ZINC001345942713 980102217 /nfs/dbraw/zinc/10/22/17/980102217.db2.gz GDGRWAXRAYGIML-UHFFFAOYSA-N -1 0 321.333 -0.105 20 0 DBADRM O=C(NCCc1n[n-]c(=S)o1)[C@H]1CCc2nnnn2CC1 ZINC001346194661 980118996 /nfs/dbraw/zinc/11/89/96/980118996.db2.gz GISRCAKZEOPAMU-ZETCQYMHSA-N -1 0 309.355 -0.344 20 0 DBADRM COCCOCCN1CCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001346337192 980132191 /nfs/dbraw/zinc/13/21/91/980132191.db2.gz XSKYBRPJBOSNOX-BETUJISGSA-N -1 0 314.382 -0.096 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cccc(N(C)C)c1 ZINC001346348777 980133724 /nfs/dbraw/zinc/13/37/24/980133724.db2.gz YGEOFUOGRDVKTA-UHFFFAOYSA-N -1 0 322.365 -0.447 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](CC)C1CCOCC1 ZINC001346372011 980135367 /nfs/dbraw/zinc/13/53/67/980135367.db2.gz CVLZNARLIPMZJD-LLVKDONJSA-N -1 0 315.370 -0.508 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)[N-]OC2CCOCC2)[C@@H]1OC ZINC001347234946 980208431 /nfs/dbraw/zinc/20/84/31/980208431.db2.gz OGRXPFIJUOLINV-TUAOUCFPSA-N -1 0 316.354 -0.478 20 0 DBADRM CS(=O)(=O)CC1(C(=O)[N-]OCc2ccccn2)COC1 ZINC001347674921 980241952 /nfs/dbraw/zinc/24/19/52/980241952.db2.gz SNGPOVVPOFLXJO-UHFFFAOYSA-N -1 0 300.336 -0.309 20 0 DBADRM O=C(NCc1ncn(-c2ccccc2)n1)c1n[nH]c(=O)[n-]c1=O ZINC001347748776 980248441 /nfs/dbraw/zinc/24/84/41/980248441.db2.gz SYKLKQWNQZTKAZ-UHFFFAOYSA-N -1 0 313.277 -0.207 20 0 DBADRM Cc1cccc(CO[N-]C(=O)C2(CS(C)(=O)=O)COC2)n1 ZINC001347830599 980251897 /nfs/dbraw/zinc/25/18/97/980251897.db2.gz CYJKZAHVQDHYTB-UHFFFAOYSA-N -1 0 314.363 -0.001 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001347979224 980255830 /nfs/dbraw/zinc/25/58/30/980255830.db2.gz VHNSRPNDXZRBAD-HBNTYKKESA-N -1 0 311.338 -0.907 20 0 DBADRM CC/C(C)=C/C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001348220246 980270319 /nfs/dbraw/zinc/27/03/19/980270319.db2.gz HQZKCLRCVHHJCI-CMDGGOBGSA-N -1 0 321.337 -0.077 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2cn(C)nn2)CC[C@H]1C(=O)[O-] ZINC001348306918 980278481 /nfs/dbraw/zinc/27/84/81/980278481.db2.gz ICHDHOZPLUAAIQ-WCBMZHEXSA-N -1 0 309.326 -1.000 20 0 DBADRM CC[C@H](NC(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1)C(=O)[O-] ZINC001595277634 980307057 /nfs/dbraw/zinc/30/70/57/980307057.db2.gz WVSTUWQEKVGZSK-LURJTMIESA-N -1 0 319.339 -0.058 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001595278620 980312289 /nfs/dbraw/zinc/31/22/89/980312289.db2.gz GWPXOOCOJKPDDR-ZJUUUORDSA-N -1 0 309.326 -0.336 20 0 DBADRM CC(C)(C)/C=C/C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001348648437 980341471 /nfs/dbraw/zinc/34/14/71/980341471.db2.gz ODRUHQQCQOKKHA-SNAWJCMRSA-N -1 0 309.326 -0.269 20 0 DBADRM CN1CCn2nc(NC(=O)C(=O)[N-]O[C@H]3CCCCO3)cc2C1 ZINC001348910517 980385990 /nfs/dbraw/zinc/38/59/90/980385990.db2.gz IQLKGHBKIPWCRS-LBPRGKRZSA-N -1 0 323.353 -0.159 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)C1(C2CC2)CC1 ZINC001349197608 980429485 /nfs/dbraw/zinc/42/94/85/980429485.db2.gz DRJZJCPTOFDNRY-UHFFFAOYSA-N -1 0 309.326 -0.888 20 0 DBADRM CC[C@H](F)C(=O)NCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001349241506 980441353 /nfs/dbraw/zinc/44/13/53/980441353.db2.gz XUIGAKGUFXHADZ-QMMMGPOBSA-N -1 0 317.321 -0.550 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(CO)CC2)CC1 ZINC001349318156 980454262 /nfs/dbraw/zinc/45/42/62/980454262.db2.gz HPRFWNGJFFEKSY-UHFFFAOYSA-N -1 0 312.366 -0.069 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001349354253 980458288 /nfs/dbraw/zinc/45/82/88/980458288.db2.gz DRDBISRZZNGYMR-QKUZVNEOSA-N -1 0 304.368 -0.761 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H](F)C2)CCO1 ZINC001349355537 980458610 /nfs/dbraw/zinc/45/86/10/980458610.db2.gz NSOVTNPURMGCQX-BBBLOLIVSA-N -1 0 302.302 -0.305 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H]2CSC[C@@H]2C1 ZINC001349429665 980467809 /nfs/dbraw/zinc/46/78/09/980467809.db2.gz ZABKSAYNWQLDFV-UWVGGRQHSA-N -1 0 315.395 -0.618 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCCNC(=O)CC1CC1 ZINC001349598543 980488563 /nfs/dbraw/zinc/48/85/63/980488563.db2.gz ORAZGMWLELFXIJ-UHFFFAOYSA-N -1 0 323.353 -0.362 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cc(C)ccc1OC ZINC001349695198 980498156 /nfs/dbraw/zinc/49/81/56/980498156.db2.gz NOTAJXVLLPEUKQ-UHFFFAOYSA-N -1 0 323.349 -0.196 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)c1c(C)noc1C ZINC001349710319 980499410 /nfs/dbraw/zinc/49/94/10/980499410.db2.gz FPRIHKBYUNKFLO-ZETCQYMHSA-N -1 0 312.326 -0.347 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H]1c1cc(C)on1 ZINC001349755091 980506138 /nfs/dbraw/zinc/50/61/38/980506138.db2.gz RXFCAHSKWWZXQH-NSHDSACASA-N -1 0 324.337 -0.170 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@]2(CC2(F)F)C1 ZINC001349757014 980506214 /nfs/dbraw/zinc/50/62/14/980506214.db2.gz ZFOPGFKXIBXVJB-LBPRGKRZSA-N -1 0 319.308 -0.182 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)NCc2ncccn2)C1 ZINC001349803019 980512033 /nfs/dbraw/zinc/51/20/33/980512033.db2.gz MXEWEEFTHFSXKL-SNVBAGLBSA-N -1 0 306.322 -0.194 20 0 DBADRM C[C@H](CNC(=O)NC1CCC2(CC1)NC(=O)NC2=O)C(=O)[O-] ZINC001349840138 980517254 /nfs/dbraw/zinc/51/72/54/980517254.db2.gz OGVPMHNMXWBSSU-UYVLXELHSA-N -1 0 312.326 -0.473 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCC(C)(C)N1CCOCC1)C(=O)[O-] ZINC001349841633 980517277 /nfs/dbraw/zinc/51/72/77/980517277.db2.gz VWHWHVCBEPTZKU-JTQLQIEISA-N -1 0 315.370 -0.950 20 0 DBADRM CC(C)(CO)O[N-]C(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001349911905 980524155 /nfs/dbraw/zinc/52/41/55/980524155.db2.gz KGCFAIKUDYXBPV-UHFFFAOYSA-N -1 0 306.384 -0.237 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(F)F)CC1)C(=O)[O-] ZINC001349952690 980527342 /nfs/dbraw/zinc/52/73/42/980527342.db2.gz UJYJWXFOVIJEKS-JGVFFNPUSA-N -1 0 308.281 -0.294 20 0 DBADRM CCC(O)(CC)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001595324825 980528942 /nfs/dbraw/zinc/52/89/42/980528942.db2.gz CSAPRXYFZZCZPD-IUCAKERBSA-N -1 0 303.359 -0.186 20 0 DBADRM C[C@H](CC(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001350175164 980544472 /nfs/dbraw/zinc/54/44/72/980544472.db2.gz YQWWOUACQFAQCX-MRVPVSSYSA-N -1 0 323.353 -0.045 20 0 DBADRM CC[C@H](O)CCCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001595328369 980555626 /nfs/dbraw/zinc/55/56/26/980555626.db2.gz QYPBZEGXYHSZHV-WDEREUQCSA-N -1 0 300.355 -0.023 20 0 DBADRM CC[C@H](O)CCNC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001595328767 980557124 /nfs/dbraw/zinc/55/71/24/980557124.db2.gz VNLAWHJUPTVZQP-VIFPVBQESA-N -1 0 312.326 -0.508 20 0 DBADRM O=C([N-]S(=O)(=O)CC[C@H]1CCCO1)c1cc[n+]([O-])cc1 ZINC001350304616 980557591 /nfs/dbraw/zinc/55/75/91/980557591.db2.gz IRQLQCHMNIRTGF-LLVKDONJSA-N -1 0 300.336 -0.051 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)C(=O)[N-]OCC2CCC2)cn1 ZINC001350312515 980559134 /nfs/dbraw/zinc/55/91/34/980559134.db2.gz FAZWTABARHGCNH-UHFFFAOYSA-N -1 0 309.326 -0.585 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCCCCC(=O)[O-])S(C)(=O)=O ZINC001350332610 980561043 /nfs/dbraw/zinc/56/10/43/980561043.db2.gz SOJYSVINDMGRNK-VIFPVBQESA-N -1 0 322.383 -0.703 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])nn1 ZINC001595332651 980581079 /nfs/dbraw/zinc/58/10/79/980581079.db2.gz YMDWVHKGKAKMNX-UWVGGRQHSA-N -1 0 322.325 -0.802 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@@H](OC)C(=O)[O-])C[C@H]1C ZINC001350612911 980587645 /nfs/dbraw/zinc/58/76/45/980587645.db2.gz VFBZOXOKFCUJFL-MWLCHTKSSA-N -1 0 302.327 -0.818 20 0 DBADRM CNC(=O)CNCc1cc(=O)[nH]c(CNC(=O)CC2CC2)n1 ZINC001489070462 1014670567 /nfs/dbraw/zinc/67/05/67/1014670567.db2.gz ANVHLMZASOMTCY-UHFFFAOYSA-N -1 0 307.354 -0.566 20 0 DBADRM COC(OC)C(=O)N1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC001350825272 980606380 /nfs/dbraw/zinc/60/63/80/980606380.db2.gz TUBMGOZBNJWZRT-UHFFFAOYSA-N -1 0 312.326 -0.971 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CCO ZINC001350879898 980610313 /nfs/dbraw/zinc/61/03/13/980610313.db2.gz ZKJJANXTOXISEZ-MNOVXSKESA-N -1 0 315.370 -0.820 20 0 DBADRM CC[C@H](OC(=O)CNS(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC001595340283 980617486 /nfs/dbraw/zinc/61/74/86/980617486.db2.gz NCUIZOANSLOINZ-QMMMGPOBSA-N -1 0 320.323 -0.024 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)c2c[n-]n3c2nccc3=O)n1 ZINC001351120807 980625766 /nfs/dbraw/zinc/62/57/66/980625766.db2.gz GUNXWNLQGQBUQA-UHFFFAOYSA-N -1 0 316.277 -0.356 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCSCC(F)(F)F ZINC001351462030 980655801 /nfs/dbraw/zinc/65/58/01/980655801.db2.gz YXTOSRDNUCNLDF-UHFFFAOYSA-N -1 0 317.289 -0.808 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCOC[C@H]1CC1CC1 ZINC001351494222 980659417 /nfs/dbraw/zinc/65/94/17/980659417.db2.gz KGBIOWJASWWDOD-LLVKDONJSA-N -1 0 313.354 -0.802 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2ccc(C)cc2C1 ZINC001351644291 980678651 /nfs/dbraw/zinc/67/86/51/980678651.db2.gz DKVWHUVAUHJYCR-UHFFFAOYSA-N -1 0 305.334 -0.326 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC001351647822 980678995 /nfs/dbraw/zinc/67/89/95/980678995.db2.gz UWKFFQKBIJTZQN-NSHDSACASA-N -1 0 313.354 -0.945 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)CC1=O ZINC001596403114 1017139717 /nfs/dbraw/zinc/13/97/17/1017139717.db2.gz UPHYPRWSVHZVHA-NBBOBHDQSA-N -1 0 302.352 -0.514 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CCSC[C@H]2C(=O)[O-])CC1=O ZINC001596403217 1017139743 /nfs/dbraw/zinc/13/97/43/1017139743.db2.gz WXZIZWWODKDLGG-BDAKNGLRSA-N -1 0 322.408 -0.561 20 0 DBADRM CCN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@@H]1C[C@H]1C ZINC001352266975 980717421 /nfs/dbraw/zinc/71/74/21/980717421.db2.gz XOBQMFPWAMXXPV-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001352608963 980735425 /nfs/dbraw/zinc/73/54/25/980735425.db2.gz NTXHZKKOLLHQCL-NKWVEPMBSA-N -1 0 324.263 -0.493 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001354027278 980828584 /nfs/dbraw/zinc/82/85/84/980828584.db2.gz IRNDEUJXOLOTQT-NSHDSACASA-N -1 0 313.354 -0.306 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(N(C)C)c(F)c1 ZINC001354595356 980860646 /nfs/dbraw/zinc/86/06/46/980860646.db2.gz KDROJYOAMQKXCV-UHFFFAOYSA-N -1 0 312.301 -0.376 20 0 DBADRM CNC(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001354832168 980874402 /nfs/dbraw/zinc/87/44/02/980874402.db2.gz DYDCHQDZTMBHCY-VIFPVBQESA-N -1 0 323.353 -0.862 20 0 DBADRM CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)NCC(=O)[N-]OC)C1(C)C ZINC001354968339 980880676 /nfs/dbraw/zinc/88/06/76/980880676.db2.gz NPFCPKNWGJSLDU-VHSXEESVSA-N -1 0 315.370 -0.558 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC001354967798 980880850 /nfs/dbraw/zinc/88/08/50/980880850.db2.gz LWVXWRXKOPPINP-HNNXBMFYSA-N -1 0 323.324 -0.123 20 0 DBADRM O=C([N-]OCCC(F)(F)F)C(=O)NCCO[C@H]1CCOC1 ZINC001354979660 980881876 /nfs/dbraw/zinc/88/18/76/980881876.db2.gz SXBNQKOHLVCCBE-QMMMGPOBSA-N -1 0 314.260 -0.092 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)NCCO[C@H]1CCOC1 ZINC001354977966 980882164 /nfs/dbraw/zinc/88/21/64/980882164.db2.gz IUCRJKJIYVIOAN-NSHDSACASA-N -1 0 302.327 -0.865 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)/C=C\C1CC1 ZINC001355226562 980888974 /nfs/dbraw/zinc/88/89/74/980888974.db2.gz JPSJAJHMZQBDAJ-PULIVWKDSA-N -1 0 321.337 -0.126 20 0 DBADRM Nc1ccc(S(=O)(=O)N2Cc3nncn3C[C@@H]2C(=O)[O-])cc1 ZINC001355386105 980892277 /nfs/dbraw/zinc/89/22/77/980892277.db2.gz SUTCPKPEUQRGNA-SNVBAGLBSA-N -1 0 323.334 -0.482 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC001355895529 980917451 /nfs/dbraw/zinc/91/74/51/980917451.db2.gz HSISLJYPOJUOGG-RDDDGLTNSA-N -1 0 320.300 -0.400 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC(CN(C)C(=O)C(N)=O)CC2)c1[O-] ZINC001356723369 980964330 /nfs/dbraw/zinc/96/43/30/980964330.db2.gz JDKGSMBQFRWKDI-UHFFFAOYSA-N -1 0 323.353 -0.780 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)[C@H]2CCNC2=O)c1[O-] ZINC001357017850 981024611 /nfs/dbraw/zinc/02/46/11/981024611.db2.gz CVDLICDUXKQCIN-CBAPKCEASA-N -1 0 323.353 -0.958 20 0 DBADRM CCCCC(=O)NC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001357582220 981071698 /nfs/dbraw/zinc/07/16/98/981071698.db2.gz BSWRPIWDKLXORX-SNAWJCMRSA-N -1 0 311.342 -0.332 20 0 DBADRM CC/C(C)=C/C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001358139375 981115559 /nfs/dbraw/zinc/11/55/59/981115559.db2.gz LBEPDVVUAIJPEG-WVXIBAHESA-N -1 0 309.326 -0.126 20 0 DBADRM CC/C=C(\C)C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001358298483 981123041 /nfs/dbraw/zinc/12/30/41/981123041.db2.gz WTSPIFGZLLTSDM-WHXYTISESA-N -1 0 311.342 -0.334 20 0 DBADRM C/C=C(/C)C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001358681058 981168568 /nfs/dbraw/zinc/16/85/68/981168568.db2.gz PRSAOVJMVBKYOG-BAQGIRSFSA-N -1 0 309.326 -0.580 20 0 DBADRM Cn1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)nc1=O ZINC001361420120 981230525 /nfs/dbraw/zinc/23/05/25/981230525.db2.gz BKUHXBMWHPQGPA-UHFFFAOYSA-N -1 0 323.334 -0.367 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2CNC(=O)C2)cn1 ZINC001361512552 981247054 /nfs/dbraw/zinc/24/70/54/981247054.db2.gz GTDMZSNVFGZPJN-QMMMGPOBSA-N -1 0 312.351 -0.681 20 0 DBADRM C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ncn(C)n1 ZINC001361514750 981247852 /nfs/dbraw/zinc/24/78/52/981247852.db2.gz LKYOVCPDLBCMDV-SSDOTTSWSA-N -1 0 302.298 -0.923 20 0 DBADRM CN(C(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1nnn[n-]1 ZINC001361566746 981261723 /nfs/dbraw/zinc/26/17/23/981261723.db2.gz XUXVSVGBLKRNMV-VIFPVBQESA-N -1 0 315.293 -0.697 20 0 DBADRM COC1(C(=O)Nc2nn3c([n-]2)nc(C)cc3=O)CCOCC1 ZINC001361585131 981264217 /nfs/dbraw/zinc/26/42/17/981264217.db2.gz YXXOYALCVPNPDS-UHFFFAOYSA-N -1 0 307.310 -0.140 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc(N2CCOCC2)cn1 ZINC001361615301 981274348 /nfs/dbraw/zinc/27/43/48/981274348.db2.gz SQAGRXLBYFTQIC-UHFFFAOYSA-N -1 0 320.309 -0.440 20 0 DBADRM CN(Cc1cccc(C(N)=O)c1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001361674339 981294991 /nfs/dbraw/zinc/29/49/91/981294991.db2.gz LCQINUHCGCIBHK-UHFFFAOYSA-N -1 0 305.294 -0.553 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCn3nnnc32)cn1 ZINC001361691761 981299287 /nfs/dbraw/zinc/29/92/87/981299287.db2.gz KCWMWUPAJVZCIH-UHFFFAOYSA-N -1 0 323.338 -0.510 20 0 DBADRM CC(C)=CC(=O)N1CC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001530512951 1014722897 /nfs/dbraw/zinc/72/28/97/1014722897.db2.gz YFLZKVIBOVKHII-UHFFFAOYSA-N -1 0 323.353 -0.237 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCO1 ZINC001361763609 981315943 /nfs/dbraw/zinc/31/59/43/981315943.db2.gz BFZQMTFPTPXNKC-ZCFIWIBFSA-N -1 0 302.312 -0.997 20 0 DBADRM O=C(C[C@@H]1CCCS1(=O)=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001361785147 981323820 /nfs/dbraw/zinc/32/38/20/981323820.db2.gz RPTFVVATQHVSOP-DTWKUNHWSA-N -1 0 315.355 -0.933 20 0 DBADRM CN(C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1)c1nnn[n-]1 ZINC001361806892 981329874 /nfs/dbraw/zinc/32/98/74/981329874.db2.gz WIPDOSQRKMNVCP-GXSJLCMTSA-N -1 0 301.310 -0.223 20 0 DBADRM CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C1CCS(=O)CC1 ZINC001361843103 981339369 /nfs/dbraw/zinc/33/93/69/981339369.db2.gz ILCPOSHGIOHEII-UHFFFAOYSA-N -1 0 316.383 -0.161 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC001361853316 981342081 /nfs/dbraw/zinc/34/20/81/981342081.db2.gz HWFORZQFCCLDJQ-JTQLQIEISA-N -1 0 323.353 -0.261 20 0 DBADRM CNC(=O)c1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC001361854931 981342240 /nfs/dbraw/zinc/34/22/40/981342240.db2.gz MOAUQOWVMRGXHP-UHFFFAOYSA-N -1 0 303.278 -0.428 20 0 DBADRM O=C(Nc1ccc(OCc2nnn[n-]2)cc1)[C@@]1(O)CCOC1 ZINC001361874164 981346015 /nfs/dbraw/zinc/34/60/15/981346015.db2.gz ZFDFTLKNIHYULY-CYBMUJFWSA-N -1 0 305.294 -0.131 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1=O ZINC001361882804 981349185 /nfs/dbraw/zinc/34/91/85/981349185.db2.gz HQCRRVMHFCDEEI-UHFFFAOYSA-N -1 0 322.365 -0.163 20 0 DBADRM CN1C[C@H](C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)NC1=O ZINC001361888791 981350243 /nfs/dbraw/zinc/35/02/43/981350243.db2.gz HFUWCMGNLOVJNI-SECBINFHSA-N -1 0 303.278 -0.008 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001361897913 981352404 /nfs/dbraw/zinc/35/24/04/981352404.db2.gz AHZMBPXENJPWNS-UHFFFAOYSA-N -1 0 324.366 -0.809 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001361901173 981353905 /nfs/dbraw/zinc/35/39/05/981353905.db2.gz HQTUTRFXGRJWRY-JGVFFNPUSA-N -1 0 318.355 -0.839 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)c1nc[n-]c(=O)c1Br ZINC001361911788 981356685 /nfs/dbraw/zinc/35/66/85/981356685.db2.gz KMKLPSVPOJYBBH-YFKPBYRVSA-N -1 0 315.127 -0.095 20 0 DBADRM CS(=O)(=O)c1ccc(NCC(=O)NCc2nnn[n-]2)cc1 ZINC001361914073 981357675 /nfs/dbraw/zinc/35/76/75/981357675.db2.gz HPUZABNTGONYDS-UHFFFAOYSA-N -1 0 310.339 -0.669 20 0 DBADRM O=C(NC1CCS(=O)(=O)CC1)c1c[n-]n2c1nccc2=O ZINC001361921434 981361019 /nfs/dbraw/zinc/36/10/19/981361019.db2.gz MQPKXVMTRJUDMO-UHFFFAOYSA-N -1 0 310.335 -0.670 20 0 DBADRM C[C@@H](O)c1ncc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)s1 ZINC001361920781 981361428 /nfs/dbraw/zinc/36/14/28/981361428.db2.gz AZJPPIAZIJCULN-RNFRBKRXSA-N -1 0 310.339 -0.077 20 0 DBADRM Cn1nnc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1C(F)F ZINC001361959232 981372604 /nfs/dbraw/zinc/37/26/04/981372604.db2.gz PGZYMORIBLAGHY-UHFFFAOYSA-N -1 0 324.251 -0.224 20 0 DBADRM C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)NC(C)(C)C ZINC001361972852 981375794 /nfs/dbraw/zinc/37/57/94/981375794.db2.gz FCLVROFTWXSVCN-QMMMGPOBSA-N -1 0 313.358 -0.111 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC2(CNC(=O)C2)CC1 ZINC001361987504 981380095 /nfs/dbraw/zinc/38/00/95/981380095.db2.gz GWYHNJQAGPIECJ-UHFFFAOYSA-N -1 0 311.367 -0.269 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(c2ccc(O)cc2)CC1 ZINC001362014588 981387452 /nfs/dbraw/zinc/38/74/52/981387452.db2.gz FTGZVMLXHWUNPO-UHFFFAOYSA-N -1 0 317.305 -0.049 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001362034089 981392513 /nfs/dbraw/zinc/39/25/13/981392513.db2.gz FEGBERJPCDYUNU-UHFFFAOYSA-N -1 0 323.401 -0.807 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)c1ncc(Br)cc1[O-] ZINC001362037291 981394818 /nfs/dbraw/zinc/39/48/18/981394818.db2.gz DRMCLNUXSUBYIS-LURJTMIESA-N -1 0 319.111 -0.187 20 0 DBADRM COC(=O)c1cc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)oc1C ZINC001362039258 981394863 /nfs/dbraw/zinc/39/48/63/981394863.db2.gz ALHHUTLCHYQCJY-UHFFFAOYSA-N -1 0 310.266 -0.306 20 0 DBADRM O=C(c1cc2n(n1)CCC[C@H]2O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362058568 981402976 /nfs/dbraw/zinc/40/29/76/981402976.db2.gz CLDHXRRCKUODJQ-GHMZBOCLSA-N -1 0 319.325 -0.563 20 0 DBADRM Cn1ncc(Br)c1CC(=O)NCc1nnn[n-]1 ZINC001362058840 981403827 /nfs/dbraw/zinc/40/38/27/981403827.db2.gz KHSGVDWRGJYVQB-UHFFFAOYSA-N -1 0 300.120 -0.445 20 0 DBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1n[nH]c(=O)[n-]1 ZINC001362060551 981405088 /nfs/dbraw/zinc/40/50/88/981405088.db2.gz CLYJITYNYQBVME-LURJTMIESA-N -1 0 306.369 -0.953 20 0 DBADRM NC(=O)[C@H](CNC(=O)CCc1nnn[n-]1)Cc1ccc(F)cc1 ZINC001362081053 981412089 /nfs/dbraw/zinc/41/20/89/981412089.db2.gz WJKPZSMVEMMMOI-JTQLQIEISA-N -1 0 320.328 -0.268 20 0 DBADRM COc1ccnc(OC)c1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362093417 981416515 /nfs/dbraw/zinc/41/65/15/981416515.db2.gz XXGLHWVUKKPJJV-SECBINFHSA-N -1 0 320.309 -0.174 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@@H](O)C1CCOCC1 ZINC001362103192 981420795 /nfs/dbraw/zinc/42/07/95/981420795.db2.gz HEEAIYJPQJSGLA-SNVBAGLBSA-N -1 0 314.342 -0.627 20 0 DBADRM O=C(N[C@H]1CCCS(=O)(=O)C1)c1c[n-]n2c1nccc2=O ZINC001362102151 981421458 /nfs/dbraw/zinc/42/14/58/981421458.db2.gz YSFQFTJISWNARZ-QMMMGPOBSA-N -1 0 310.335 -0.670 20 0 DBADRM NC(=O)NC[C@@H]1CCCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001362105774 981423174 /nfs/dbraw/zinc/42/31/74/981423174.db2.gz AMUNGEIPNPWMQL-VIFPVBQESA-N -1 0 318.337 -0.314 20 0 DBADRM O=C(CCc1nnn[n-]1)NCc1ccc2c(c1)CCS2(=O)=O ZINC001362110067 981424248 /nfs/dbraw/zinc/42/42/48/981424248.db2.gz IZDHOMUSGDGXIU-UHFFFAOYSA-N -1 0 321.362 -0.222 20 0 DBADRM COc1cc(CO)ccc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362120932 981427026 /nfs/dbraw/zinc/42/70/26/981427026.db2.gz AYRMTDAQMIXKLM-LBPRGKRZSA-N -1 0 319.321 -0.086 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)c1[O-] ZINC001362128203 981430094 /nfs/dbraw/zinc/43/00/94/981430094.db2.gz JMOWBNLUFVLBRR-ZETCQYMHSA-N -1 0 305.381 -0.017 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)c1[O-] ZINC001362128177 981430152 /nfs/dbraw/zinc/43/01/52/981430152.db2.gz JMOWBNLUFVLBRR-SSDOTTSWSA-N -1 0 305.381 -0.017 20 0 DBADRM O=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362127085 981430622 /nfs/dbraw/zinc/43/06/22/981430622.db2.gz VDRCZZSGTTWASE-VIFPVBQESA-N -1 0 317.309 -0.214 20 0 DBADRM CNc1nc(C)cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)n1 ZINC001362127203 981430760 /nfs/dbraw/zinc/43/07/60/981430760.db2.gz VWJXOAXYQMQIGB-VIFPVBQESA-N -1 0 304.314 -0.446 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](CO)Cc1ccc(F)cc1 ZINC001362133413 981433469 /nfs/dbraw/zinc/43/34/69/981433469.db2.gz UGBXNDPVEYTSQJ-JTQLQIEISA-N -1 0 324.312 -0.204 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362144641 981437472 /nfs/dbraw/zinc/43/74/72/981437472.db2.gz BPEXWWCAEPJCDI-VIFPVBQESA-N -1 0 315.337 -0.575 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CCCc1nnn[n-]1 ZINC001362148214 981439080 /nfs/dbraw/zinc/43/90/80/981439080.db2.gz PGBPHSRYGLATOS-BDAKNGLRSA-N -1 0 303.388 -0.198 20 0 DBADRM CN1C(=O)COc2ccc(NC(=O)Cn3c(=O)[n-][nH]c3=O)cc21 ZINC001362191090 981454450 /nfs/dbraw/zinc/45/44/50/981454450.db2.gz ZWOLWIZXZLHCIW-UHFFFAOYSA-N -1 0 319.277 -0.317 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)CC1=O ZINC001362189613 981454700 /nfs/dbraw/zinc/45/47/00/981454700.db2.gz QFVATNRODUYBKY-YWVKMMECSA-N -1 0 315.333 -0.238 20 0 DBADRM CN1C[C@H](C(=O)Nc2ccc(OCc3nnn[n-]3)cc2)NC1=O ZINC001362189608 981454792 /nfs/dbraw/zinc/45/47/92/981454792.db2.gz OPNAFLFUNMMPJX-SNVBAGLBSA-N -1 0 317.309 -0.259 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362194157 981456192 /nfs/dbraw/zinc/45/61/92/981456192.db2.gz BZIOWFVCJWXYFP-BDAKNGLRSA-N -1 0 300.315 -0.922 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1ccc2c(c1)C(=O)NCCO2 ZINC001362206414 981461039 /nfs/dbraw/zinc/46/10/39/981461039.db2.gz XDSHDILNPZLEPV-UHFFFAOYSA-N -1 0 304.262 -0.585 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)[N-]N2CCCC2=O)o1 ZINC001362211483 981463069 /nfs/dbraw/zinc/46/30/69/981463069.db2.gz WRWPEJWMQIQQJD-UHFFFAOYSA-N -1 0 301.324 -0.404 20 0 DBADRM CN(C)c1nccc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)n1 ZINC001362230257 981471049 /nfs/dbraw/zinc/47/10/49/981471049.db2.gz DRCNNUHPULWJJP-UHFFFAOYSA-N -1 0 321.341 -0.358 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001362229868 981471411 /nfs/dbraw/zinc/47/14/11/981471411.db2.gz JMSQEQCUXHYHRY-ZDUSSCGKSA-N -1 0 312.326 -0.119 20 0 DBADRM C[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)[C@H]1CN(C)CCO1 ZINC001362240639 981476736 /nfs/dbraw/zinc/47/67/36/981476736.db2.gz YZJQNKHDNGNMOA-JGVFFNPUSA-N -1 0 301.372 -0.562 20 0 DBADRM CC(=O)Nc1cnccc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362247671 981480707 /nfs/dbraw/zinc/48/07/07/981480707.db2.gz UXLHALLAESOICO-NSHDSACASA-N -1 0 317.309 -0.233 20 0 DBADRM COCCC(=O)N1CCC(NC(=O)CCCc2nnn[n-]2)CC1 ZINC001362270514 981491478 /nfs/dbraw/zinc/49/14/78/981491478.db2.gz NVMAWZKIGKEBST-UHFFFAOYSA-N -1 0 324.385 -0.334 20 0 DBADRM O=C(N[C@@H](CO)[C@@H]1CCOC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001362288854 981499652 /nfs/dbraw/zinc/49/96/52/981499652.db2.gz QWCTUPGADADJPF-XCBNKYQSSA-N -1 0 320.305 -0.437 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)ncc1C(N)=O ZINC001362300977 981503744 /nfs/dbraw/zinc/50/37/44/981503744.db2.gz QIQMUOYIPKPGTD-QMMMGPOBSA-N -1 0 303.326 -0.122 20 0 DBADRM COc1c[nH]c(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1=O ZINC001362311969 981508724 /nfs/dbraw/zinc/50/87/24/981508724.db2.gz MISXFRTUTRVNDR-QMMMGPOBSA-N -1 0 304.310 -0.084 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(O)(C(F)(F)F)CC1 ZINC001362317640 981512740 /nfs/dbraw/zinc/51/27/40/981512740.db2.gz YZXBOZCMKKEMQH-UHFFFAOYSA-N -1 0 308.216 -0.188 20 0 DBADRM C[C@H](O)C[C@H]1COCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362327792 981515064 /nfs/dbraw/zinc/51/50/64/981515064.db2.gz UADASERHHIDHSG-YUMQZZPRSA-N -1 0 302.356 -0.399 20 0 DBADRM COc1ccccc1[C@H](CO)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362327081 981515736 /nfs/dbraw/zinc/51/57/36/981515736.db2.gz PAILGRYTXNOHRG-VIFPVBQESA-N -1 0 308.294 -0.452 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362332210 981517528 /nfs/dbraw/zinc/51/75/28/981517528.db2.gz KILGYTXXATTYNZ-UHFFFAOYSA-N -1 0 317.353 -0.423 20 0 DBADRM CC(C)C1(O)CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001362335503 981519712 /nfs/dbraw/zinc/51/97/12/981519712.db2.gz FVWPIHQLPJNFMA-UHFFFAOYSA-N -1 0 302.338 -0.082 20 0 DBADRM Cn1cc([C@H]2C[S@](=O)CCN2C(=O)CCc2nnn[n-]2)cn1 ZINC001362335929 981520107 /nfs/dbraw/zinc/52/01/07/981520107.db2.gz PLJXRFBJAAAQHZ-ZQJOYCHOSA-N -1 0 323.382 -0.802 20 0 DBADRM CC1=C(C(=O)NCCC(=O)[N-]S(C)(=O)=O)SCCO1 ZINC001362345621 981524487 /nfs/dbraw/zinc/52/44/87/981524487.db2.gz HSUBTHMSPSMFQQ-UHFFFAOYSA-N -1 0 308.381 -0.437 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCNC(=O)[C@H]1c1cccs1 ZINC001362352667 981526357 /nfs/dbraw/zinc/52/63/57/981526357.db2.gz USRRDLOFNKMHFJ-MRVPVSSYSA-N -1 0 321.318 -0.342 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cncc2[nH]ccc21 ZINC001362352221 981527006 /nfs/dbraw/zinc/52/70/06/981527006.db2.gz VHRKSZCFXIUSKS-UHFFFAOYSA-N -1 0 310.335 -0.241 20 0 DBADRM COc1nccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)n1 ZINC001362365763 981532836 /nfs/dbraw/zinc/53/28/36/981532836.db2.gz IQTKOUFXXJSABT-QMMMGPOBSA-N -1 0 307.339 -0.071 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCO[C@]2(CCOC2)C1 ZINC001362365230 981532922 /nfs/dbraw/zinc/53/29/22/981532922.db2.gz JBEXNSGGHOJUBJ-LLVKDONJSA-N -1 0 300.340 -0.380 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCc2n[nH]c(=O)cc2C1 ZINC001362366812 981533038 /nfs/dbraw/zinc/53/30/38/981533038.db2.gz LXUNIAHTNGWUCK-UHFFFAOYSA-N -1 0 320.309 -0.450 20 0 DBADRM CN(C)c1nccc(CNC(=O)CSc2n[nH]c(=O)[n-]2)n1 ZINC001362370818 981534294 /nfs/dbraw/zinc/53/42/94/981534294.db2.gz RRXKOODRDPHUIY-UHFFFAOYSA-N -1 0 309.355 -0.225 20 0 DBADRM C[C@@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1nncn1C ZINC001362369779 981534652 /nfs/dbraw/zinc/53/46/52/981534652.db2.gz JXKUGDBWBJODIW-QMMMGPOBSA-N -1 0 316.325 -0.880 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@]12CCOC2=O ZINC001362369569 981534783 /nfs/dbraw/zinc/53/47/83/981534783.db2.gz RXEDVJCSIKLKRX-CYBMUJFWSA-N -1 0 310.310 -0.222 20 0 DBADRM O=C(CCn1cnccc1=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362370970 981535288 /nfs/dbraw/zinc/53/52/88/981535288.db2.gz XEEPHDGMRYSUPG-SECBINFHSA-N -1 0 321.366 -0.537 20 0 DBADRM O=C(NC[C@@H](CO)[C@H]1CCOC1)c1ccc(-c2nn[nH]n2)cn1 ZINC001362382277 981541039 /nfs/dbraw/zinc/54/10/39/981541039.db2.gz BDTZMOAKUDESHP-QWRGUYRKSA-N -1 0 318.337 -0.364 20 0 DBADRM O=C(c1ncc(F)cc1F)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362390014 981544177 /nfs/dbraw/zinc/54/41/77/981544177.db2.gz SUIWNLWHTWSRNC-UHFFFAOYSA-N -1 0 310.264 -0.003 20 0 DBADRM CCC[C@H](NC(=O)[C@@H]1CCC2N=NC(=O)N2C1)c1nnn[n-]1 ZINC001362391790 981545388 /nfs/dbraw/zinc/54/53/88/981545388.db2.gz HSJSLJVGTXCEGH-SFYZADRCSA-N -1 0 306.330 -0.283 20 0 DBADRM NC(=O)C[C@@H](NC(=O)CCCc1nnn[n-]1)C1CCOCC1 ZINC001362395121 981546110 /nfs/dbraw/zinc/54/61/10/981546110.db2.gz KJLFGOZIAVOCCS-SNVBAGLBSA-N -1 0 310.358 -0.691 20 0 DBADRM C[C@@H]1[C@@H](CO)CCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362399401 981548497 /nfs/dbraw/zinc/54/84/97/981548497.db2.gz HDRKLOJQJVDMDS-MWLCHTKSSA-N -1 0 302.338 -0.082 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC(C)(O)C3)cc2=O)n1 ZINC001362408692 981554922 /nfs/dbraw/zinc/55/49/22/981554922.db2.gz ASUUBDPZIPSTOQ-UHFFFAOYSA-N -1 0 303.322 -0.221 20 0 DBADRM NC(=O)C[C@@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001362413312 981558012 /nfs/dbraw/zinc/55/80/12/981558012.db2.gz HCTUVEMUFROKPC-VIFPVBQESA-N -1 0 303.322 -0.250 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001362427085 981563659 /nfs/dbraw/zinc/56/36/59/981563659.db2.gz RONQGDZEXNYFME-XCBNKYQSSA-N -1 0 311.342 -0.818 20 0 DBADRM CC(C)(C)n1cnc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001362433034 981567699 /nfs/dbraw/zinc/56/76/99/981567699.db2.gz APJZPQCYYBDTFA-UHFFFAOYSA-N -1 0 320.357 -0.330 20 0 DBADRM Cc1ncc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c(C)n1 ZINC001362437704 981568995 /nfs/dbraw/zinc/56/89/95/981568995.db2.gz ORSPZRUMTOYELS-UHFFFAOYSA-N -1 0 303.326 -0.270 20 0 DBADRM CCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)C(=O)OCC ZINC001362449827 981577962 /nfs/dbraw/zinc/57/79/62/981577962.db2.gz GBKYTQXPOKJIHR-MRVPVSSYSA-N -1 0 300.315 -0.121 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001362457758 981580638 /nfs/dbraw/zinc/58/06/38/981580638.db2.gz WLXLENXNPUFJJF-VIFPVBQESA-N -1 0 324.362 -0.328 20 0 DBADRM COC(=O)[C@@](C)(O)CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001362462117 981583251 /nfs/dbraw/zinc/58/32/51/981583251.db2.gz KWHGJMVGMJIXIO-AWEZNQCLSA-N -1 0 313.354 -0.585 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362465664 981584863 /nfs/dbraw/zinc/58/48/63/981584863.db2.gz CLLASVFXCTZKGO-HTQZYQBOSA-N -1 0 302.356 -0.087 20 0 DBADRM CCn1cc(Cl)c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC001362466166 981584942 /nfs/dbraw/zinc/58/49/42/981584942.db2.gz JMSCFJQTLZVIQS-UHFFFAOYSA-N -1 0 322.774 -0.248 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CC[C@H](CO)C1 ZINC001362469868 981586010 /nfs/dbraw/zinc/58/60/10/981586010.db2.gz YJJACRXEURTWLM-VIFPVBQESA-N -1 0 304.306 -0.279 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CC[C@@H](CO)C1 ZINC001362469865 981586498 /nfs/dbraw/zinc/58/64/98/981586498.db2.gz YJJACRXEURTWLM-SECBINFHSA-N -1 0 304.306 -0.279 20 0 DBADRM CC[C@H](C(=O)NCCc1nc(=O)o[n-]1)N1CCO[C@H](CC)C1 ZINC001362474164 981589669 /nfs/dbraw/zinc/58/96/69/981589669.db2.gz KRTMMLNSVPFGEH-GHMZBOCLSA-N -1 0 312.370 -0.089 20 0 DBADRM CC[C@H](C(=O)NCCc1nc(=O)o[n-]1)N1CCO[C@@H](CC)C1 ZINC001362474167 981590154 /nfs/dbraw/zinc/59/01/54/981590154.db2.gz KRTMMLNSVPFGEH-WDEREUQCSA-N -1 0 312.370 -0.089 20 0 DBADRM CC[C@@H](C(=O)NCCc1nc(=O)o[n-]1)N1CCO[C@@H](CC)C1 ZINC001362474166 981590773 /nfs/dbraw/zinc/59/07/73/981590773.db2.gz KRTMMLNSVPFGEH-QWRGUYRKSA-N -1 0 312.370 -0.089 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC[C@H](N2CCCC2=O)C1 ZINC001362486546 981596562 /nfs/dbraw/zinc/59/65/62/981596562.db2.gz WGEARSSLSHSJQI-JTQLQIEISA-N -1 0 315.333 -0.141 20 0 DBADRM C[C@@H](CN(C)C(=O)C1CCS(=O)(=O)CC1)c1nnn[n-]1 ZINC001362494309 981599904 /nfs/dbraw/zinc/59/99/04/981599904.db2.gz BCQZVTXYKVBWCB-QMMMGPOBSA-N -1 0 301.372 -0.414 20 0 DBADRM CCC(CC)(NC(=O)c1cn(C)c(=O)n(C)c1=O)c1nnn[n-]1 ZINC001362494172 981600954 /nfs/dbraw/zinc/60/09/54/981600954.db2.gz GONQIGFPWHLCEX-UHFFFAOYSA-N -1 0 321.341 -0.958 20 0 DBADRM COc1ccc(OC)c([C@@H](O)CNC(=O)CCc2nnn[n-]2)c1 ZINC001362503528 981604260 /nfs/dbraw/zinc/60/42/60/981604260.db2.gz HGXRDDDRCVNHCM-NSHDSACASA-N -1 0 321.337 -0.001 20 0 DBADRM CCO[C@@H]1C[C@@](CO)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1(C)C ZINC001362502536 981604351 /nfs/dbraw/zinc/60/43/51/981604351.db2.gz VQBDZABSGAJCFD-OQPBUACISA-N -1 0 314.342 -0.628 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H](CO)c1ccccn1 ZINC001362508218 981608087 /nfs/dbraw/zinc/60/80/87/981608087.db2.gz LLBUUHVVLYWLJN-NSHDSACASA-N -1 0 314.305 -0.684 20 0 DBADRM CCO[C@H]1COCC[C@@H]1NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362533758 981639438 /nfs/dbraw/zinc/63/94/38/981639438.db2.gz OQDCSEDDPXVWKC-YUMQZZPRSA-N -1 0 302.356 -0.087 20 0 DBADRM COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362555221 981669642 /nfs/dbraw/zinc/66/96/42/981669642.db2.gz KWNMUQNCEALRGI-NKWVEPMBSA-N -1 0 312.282 -0.925 20 0 DBADRM COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362555225 981670871 /nfs/dbraw/zinc/67/08/71/981670871.db2.gz KWNMUQNCEALRGI-RNFRBKRXSA-N -1 0 312.282 -0.925 20 0 DBADRM CS(=O)(=O)Cc1ccccc1CNC(=O)CCc1nnn[n-]1 ZINC001362558328 981674929 /nfs/dbraw/zinc/67/49/29/981674929.db2.gz LSOKBGFPZFYNOG-UHFFFAOYSA-N -1 0 323.378 -0.007 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCOC[C@@]12CCOC2 ZINC001362563248 981687009 /nfs/dbraw/zinc/68/70/09/981687009.db2.gz SULQEYGENRNDHM-AWEZNQCLSA-N -1 0 304.306 -0.346 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)n1 ZINC001362564658 981688167 /nfs/dbraw/zinc/68/81/67/981688167.db2.gz ZNYTWCCIFBADRK-VIFPVBQESA-N -1 0 315.337 -0.026 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)CCCc2nnn[n-]2)O1 ZINC001362565288 981693243 /nfs/dbraw/zinc/69/32/43/981693243.db2.gz BRVIDWVMSQPRIS-ZJUUUORDSA-N -1 0 310.358 -0.726 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCc1ccc(=O)[nH]c1 ZINC001362565901 981695415 /nfs/dbraw/zinc/69/54/15/981695415.db2.gz HOTRWGZZCWXHAO-UHFFFAOYSA-N -1 0 315.351 -0.698 20 0 DBADRM C[C@H]1OC(=O)N[C@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001362580850 981721848 /nfs/dbraw/zinc/72/18/48/981721848.db2.gz LYZKSOIBWUWHQB-HZGVNTEJSA-N -1 0 304.266 -0.197 20 0 DBADRM CCOC(=O)N(C)CCCC(=O)NCCc1nc(=O)o[n-]1 ZINC001362591002 981733307 /nfs/dbraw/zinc/73/33/07/981733307.db2.gz JGIKXVOOKFXWSW-UHFFFAOYSA-N -1 0 300.315 -0.110 20 0 DBADRM COC(=O)[C@@H]1CO[C@H](CCC(=O)NCCc2nc(=O)o[n-]2)C1 ZINC001362593526 981737107 /nfs/dbraw/zinc/73/71/07/981737107.db2.gz WNHNOQQSWDBULX-DTWKUNHWSA-N -1 0 313.310 -0.620 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)N(C)Cc2nc(=O)o[n-]2)c(=O)c1 ZINC001362608035 981749625 /nfs/dbraw/zinc/74/96/25/981749625.db2.gz SXAUOHDCFWDDBH-CQSZACIVSA-N -1 0 322.321 -0.757 20 0 DBADRM CC1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CCS1(=O)=O ZINC001362617684 981763857 /nfs/dbraw/zinc/76/38/57/981763857.db2.gz BAMKQFPEKRIKMQ-UHFFFAOYSA-N -1 0 318.355 -0.885 20 0 DBADRM C[C@@H]1OCC[C@]12CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C[C@@H](C)O2 ZINC001362621483 981766184 /nfs/dbraw/zinc/76/61/84/981766184.db2.gz PXGSOOXXXACDJZ-ZDMBXUJBSA-N -1 0 312.326 -0.516 20 0 DBADRM C[C@@H]1OCC[C@@]12CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C[C@@H](C)O2 ZINC001362621482 981767536 /nfs/dbraw/zinc/76/75/36/981767536.db2.gz PXGSOOXXXACDJZ-VYUIOLGVSA-N -1 0 312.326 -0.516 20 0 DBADRM CCC(CC)(NC(=O)C1=NN(CCO)C(=O)CC1)c1nnn[n-]1 ZINC001362625575 981768747 /nfs/dbraw/zinc/76/87/47/981768747.db2.gz OOJBKDWXOWPUCK-UHFFFAOYSA-N -1 0 323.357 -0.698 20 0 DBADRM COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362626829 981770451 /nfs/dbraw/zinc/77/04/51/981770451.db2.gz JUPUSEYGCYAJTR-SECBINFHSA-N -1 0 318.289 -0.203 20 0 DBADRM C[C@@H](O)C[C@@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001362630454 981777277 /nfs/dbraw/zinc/77/72/77/981777277.db2.gz RIIBVODSWAUVIG-MWLCHTKSSA-N -1 0 318.337 -0.126 20 0 DBADRM Cn1cc([C@H]2CSCCN2C(=O)Cn2c(=O)[n-][nH]c2=O)cn1 ZINC001362635885 981781677 /nfs/dbraw/zinc/78/16/77/981781677.db2.gz ZGAJZTKBSDAMKQ-SECBINFHSA-N -1 0 324.366 -0.261 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@H](c2cc(=O)[nH][nH]2)C1 ZINC001362639012 981785156 /nfs/dbraw/zinc/78/51/56/981785156.db2.gz LJKMEAPKRGSXNH-QMMMGPOBSA-N -1 0 322.325 -0.086 20 0 DBADRM CC(C)CC(=O)NCC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001530679974 1014769324 /nfs/dbraw/zinc/76/93/24/1014769324.db2.gz ZZNJCHZRZVLRMU-UHFFFAOYSA-N -1 0 322.365 -0.280 20 0 DBADRM O=C(c1nc[n-]c(=O)c1Br)N1C[C@H](O)C[C@H]1CO ZINC001362663233 981806989 /nfs/dbraw/zinc/80/69/89/981806989.db2.gz QDTGRHSTNTUHHY-NTSWFWBYSA-N -1 0 318.127 -0.488 20 0 DBADRM CO[C@@H](C(=O)N1CCSC[C@H]1c1nnn[n-]1)c1cnn(C)c1 ZINC001362672834 981812062 /nfs/dbraw/zinc/81/20/62/981812062.db2.gz OXLWMQJLZCTJGW-VHSXEESVSA-N -1 0 323.382 -0.063 20 0 DBADRM Cc1ccc(C[C@@H](CO)NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001362681097 981814218 /nfs/dbraw/zinc/81/42/18/981814218.db2.gz WFUGPVRFHFGLKC-NSHDSACASA-N -1 0 306.322 -0.282 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362683313 981815954 /nfs/dbraw/zinc/81/59/54/981815954.db2.gz KDFIFLXIXGOKSW-QMMMGPOBSA-N -1 0 317.396 -0.607 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cn1 ZINC001362689421 981820060 /nfs/dbraw/zinc/82/00/60/981820060.db2.gz QQPJWWDLVGOEKJ-MRVPVSSYSA-N -1 0 317.309 -0.204 20 0 DBADRM COC(=O)COCC(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362688743 981820568 /nfs/dbraw/zinc/82/05/68/981820568.db2.gz VRLWKMJQVAPFQU-SSDOTTSWSA-N -1 0 301.328 -0.994 20 0 DBADRM Cn1nccc1[C@@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC001362691811 981822144 /nfs/dbraw/zinc/82/21/44/981822144.db2.gz FTMOJEYIEIGXSB-APPZFPTMSA-N -1 0 320.309 -0.334 20 0 DBADRM Cn1nccc1[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC001362691813 981822238 /nfs/dbraw/zinc/82/22/38/981822238.db2.gz FTMOJEYIEIGXSB-IONNQARKSA-N -1 0 320.309 -0.334 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1c[n-]ncc1=O ZINC001362704965 981831547 /nfs/dbraw/zinc/83/15/47/981831547.db2.gz JPSCZRZGQAUGNK-WCBMZHEXSA-N -1 0 314.367 -0.370 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1c[n-]ncc1=O ZINC001362704964 981832041 /nfs/dbraw/zinc/83/20/41/981832041.db2.gz JPSCZRZGQAUGNK-SCZZXKLOSA-N -1 0 314.367 -0.370 20 0 DBADRM Cc1cc(COCC(=O)N2CCC(O)(c3nnn[n-]3)CC2)no1 ZINC001362723766 981847903 /nfs/dbraw/zinc/84/79/03/981847903.db2.gz JSXOUKGHYLBIFV-UHFFFAOYSA-N -1 0 322.325 -0.477 20 0 DBADRM Cn1nccc1CCC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362726632 981849826 /nfs/dbraw/zinc/84/98/26/981849826.db2.gz BGIDPEZIILKXLI-UHFFFAOYSA-N -1 0 305.342 -0.624 20 0 DBADRM COc1coc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cc1=O ZINC001362731455 981854375 /nfs/dbraw/zinc/85/43/75/981854375.db2.gz NTHDORBUZUBCEJ-UHFFFAOYSA-N -1 0 321.293 -0.715 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC001362733149 981854534 /nfs/dbraw/zinc/85/45/34/981854534.db2.gz VMDSCVYRRSGYQC-ZJUUUORDSA-N -1 0 322.369 -0.699 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC001362733137 981854980 /nfs/dbraw/zinc/85/49/80/981854980.db2.gz VMDSCVYRRSGYQC-NXEZZACHSA-N -1 0 322.369 -0.699 20 0 DBADRM CCn1nc(C)c(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001362733411 981855168 /nfs/dbraw/zinc/85/51/68/981855168.db2.gz XIUSPSFDXNZGPT-UHFFFAOYSA-N -1 0 306.330 -0.757 20 0 DBADRM NC(=O)C1(O)CN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC001362734226 981856276 /nfs/dbraw/zinc/85/62/76/981856276.db2.gz HPIRGNAWFBNVMX-UHFFFAOYSA-N -1 0 320.280 -0.611 20 0 DBADRM COC[C@H](O)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362739122 981859669 /nfs/dbraw/zinc/85/96/69/981859669.db2.gz MQIBGHWCJMAWSO-SNVBAGLBSA-N -1 0 308.294 -0.997 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCCN(C(=O)CCCc2nnn[n-]2)C1 ZINC001362750662 981864142 /nfs/dbraw/zinc/86/41/42/981864142.db2.gz XYRRYBJORLXSBV-SNVBAGLBSA-N -1 0 315.399 -0.052 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1Cc2ccccc2NC1=O ZINC001362769672 981877219 /nfs/dbraw/zinc/87/72/19/981877219.db2.gz LBGQPIGUIBNEHZ-VIFPVBQESA-N -1 0 303.278 -0.631 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cccc(N2CCNC2=O)c1 ZINC001362772436 981879194 /nfs/dbraw/zinc/87/91/94/981879194.db2.gz GIUBCHABYISFFX-UHFFFAOYSA-N -1 0 304.266 -0.397 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](CO)CC1CCOCC1 ZINC001362775916 981880741 /nfs/dbraw/zinc/88/07/41/981880741.db2.gz SEOHQMMRMBUGNG-JTQLQIEISA-N -1 0 314.342 -0.769 20 0 DBADRM COC(=O)c1cc(C(C)(C)NC(=O)CCc2nnn[n-]2)no1 ZINC001362785449 981885983 /nfs/dbraw/zinc/88/59/83/981885983.db2.gz MRZRCRZZMRAXLN-UHFFFAOYSA-N -1 0 308.298 -0.042 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H](CO)C1CCOCC1 ZINC001362794685 981893320 /nfs/dbraw/zinc/89/33/20/981893320.db2.gz UOYQZOARELFSML-JTQLQIEISA-N -1 0 314.342 -0.627 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1CCc2[nH]cnc2C1 ZINC001362802270 981897605 /nfs/dbraw/zinc/89/76/05/981897605.db2.gz YVNJTXNKGAMIPA-QMMMGPOBSA-N -1 0 306.326 -0.134 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)N3CC[C@@H](c4nnn[n-]4)C3)nc2C1 ZINC001362806174 981900461 /nfs/dbraw/zinc/90/04/61/981900461.db2.gz KBJCINUPWAVSJI-NXEZZACHSA-N -1 0 317.353 -0.013 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCc2ncncc2C1 ZINC001362817541 981912962 /nfs/dbraw/zinc/91/29/62/981912962.db2.gz LNXYTRWBVTVORA-UHFFFAOYSA-N -1 0 304.310 -0.156 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC001362821400 981916709 /nfs/dbraw/zinc/91/67/09/981916709.db2.gz YUGMQYIAMQTYSI-VXNVDRBHSA-N -1 0 322.321 -0.363 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)c1ccc(C(N)=O)nc1 ZINC001362832078 981924858 /nfs/dbraw/zinc/92/48/58/981924858.db2.gz PVRAKZITTQNFGI-UHFFFAOYSA-N -1 0 303.326 -0.008 20 0 DBADRM CCOC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001362841350 981932560 /nfs/dbraw/zinc/93/25/60/981932560.db2.gz PLSKHGIWCLLKEB-SSDOTTSWSA-N -1 0 316.339 -0.147 20 0 DBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001362840570 981932706 /nfs/dbraw/zinc/93/27/06/981932706.db2.gz LZZAVKJJJSDUPI-UHFFFAOYSA-N -1 0 315.307 -0.060 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001362839533 981933043 /nfs/dbraw/zinc/93/30/43/981933043.db2.gz HYJKMZDEJHCULY-QMMMGPOBSA-N -1 0 315.351 -0.464 20 0 DBADRM Cn1ccnc1[C@@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCO1 ZINC001362849720 981941533 /nfs/dbraw/zinc/94/15/33/981941533.db2.gz UYUARWOVPBJMKX-BDAKNGLRSA-N -1 0 322.325 -0.541 20 0 DBADRM Cn1ccnc1[C@@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCO1 ZINC001362849756 981942882 /nfs/dbraw/zinc/94/28/82/981942882.db2.gz UYUARWOVPBJMKX-IUCAKERBSA-N -1 0 322.325 -0.541 20 0 DBADRM CCC(CC)(NC(=O)[C@@H](C)NS(=O)(=O)CC)c1nnn[n-]1 ZINC001362854745 981947033 /nfs/dbraw/zinc/94/70/33/981947033.db2.gz JSONCIVVCXLLNZ-MRVPVSSYSA-N -1 0 318.403 -0.341 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC(C2CS(=O)(=O)C2)C1 ZINC001362898579 981980863 /nfs/dbraw/zinc/98/08/63/981980863.db2.gz JTRHGSWERBQRMK-UHFFFAOYSA-N -1 0 322.346 -0.861 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@H](N2CCCC2=O)C1 ZINC001362905809 981989476 /nfs/dbraw/zinc/98/94/76/981989476.db2.gz LPWOGWMTLDSUHG-JTQLQIEISA-N -1 0 323.353 -0.307 20 0 DBADRM C[C@@]1(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)CCC(=O)NC1 ZINC001362910152 981994195 /nfs/dbraw/zinc/99/41/95/981994195.db2.gz ZJQPKUGADYZLKU-QMTHXVAHSA-N -1 0 306.370 -0.103 20 0 DBADRM COC[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001362910821 981994403 /nfs/dbraw/zinc/99/44/03/981994403.db2.gz SBISIGWJQKRYKU-QMMMGPOBSA-N -1 0 314.346 -0.130 20 0 DBADRM CCNC(=O)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362922432 982002837 /nfs/dbraw/zinc/00/28/37/982002837.db2.gz OGJWDSPSPZBAJQ-UHFFFAOYSA-N -1 0 305.294 -0.868 20 0 DBADRM CSCc1nc(CNC(=O)CSc2n[nH]c(=O)[n-]2)n[nH]1 ZINC001362922837 982003094 /nfs/dbraw/zinc/00/30/94/982003094.db2.gz DCIQTFCKRPFKSC-UHFFFAOYSA-N -1 0 315.384 -0.100 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCCn2cnccc2=O)cc1=O ZINC001362932503 982012496 /nfs/dbraw/zinc/01/24/96/982012496.db2.gz PTMAKUDOEJOTQD-UHFFFAOYSA-N -1 0 319.365 -0.252 20 0 DBADRM O=C(c1c[n-]ncc1=O)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001362937955 982014262 /nfs/dbraw/zinc/01/42/62/982014262.db2.gz ORYRZAWACYWPBP-JTQLQIEISA-N -1 0 304.310 -0.257 20 0 DBADRM O=C(N[C@@H](C1CC1)C1(CO)CCOCC1)c1n[nH]c(=O)[n-]c1=O ZINC001362972404 982038223 /nfs/dbraw/zinc/03/82/23/982038223.db2.gz RDZVKNHCDBBXOG-JTQLQIEISA-N -1 0 324.337 -0.420 20 0 DBADRM COCC[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)OC ZINC001362973631 982038434 /nfs/dbraw/zinc/03/84/34/982038434.db2.gz UDPFEZULEHMNQW-QMMMGPOBSA-N -1 0 316.314 -0.836 20 0 DBADRM O=C(N[C@H](C1CC1)C1(CO)CCOCC1)c1n[nH]c(=O)[n-]c1=O ZINC001362972411 982038995 /nfs/dbraw/zinc/03/89/95/982038995.db2.gz RDZVKNHCDBBXOG-SNVBAGLBSA-N -1 0 324.337 -0.420 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCc2n[nH]c(=O)cc2C1 ZINC001362976437 982041115 /nfs/dbraw/zinc/04/11/15/982041115.db2.gz ZFTXQCMEVSEJMR-UHFFFAOYSA-N -1 0 308.323 -0.317 20 0 DBADRM COCC[C@@H](COC)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362980886 982044219 /nfs/dbraw/zinc/04/42/19/982044219.db2.gz OIXIPBVKDRACBS-VIFPVBQESA-N -1 0 302.331 -0.363 20 0 DBADRM COC(=O)[C@H]1CCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362986755 982049420 /nfs/dbraw/zinc/04/94/20/982049420.db2.gz NMVAYUBQWZCRNC-SNVBAGLBSA-N -1 0 302.294 -0.538 20 0 DBADRM C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)[C@@H](O)C(F)(F)F ZINC001362998626 982055652 /nfs/dbraw/zinc/05/56/52/982055652.db2.gz ANRLSKJLITZKFN-CAHLUQPWSA-N -1 0 312.248 -0.103 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@](C)(C(F)F)O1 ZINC001362998877 982058468 /nfs/dbraw/zinc/05/84/68/982058468.db2.gz QGAMCZFSIDJGQQ-KGFZYKRKSA-N -1 0 306.269 -0.040 20 0 DBADRM CN1C(=O)CN=C1NC(=O)c1nc[n-]c(=O)c1Br ZINC001363037633 982091023 /nfs/dbraw/zinc/09/10/23/982091023.db2.gz DDPMSZXITVADQN-UHFFFAOYSA-N -1 0 314.099 -0.498 20 0 DBADRM O=C(N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1c[n-]ncc1=O ZINC001363043608 982092971 /nfs/dbraw/zinc/09/29/71/982092971.db2.gz KYJQZOPHFFIHAB-MRVPVSSYSA-N -1 0 302.294 -0.314 20 0 DBADRM CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001363044813 982095671 /nfs/dbraw/zinc/09/56/71/982095671.db2.gz SWTUISMTJLQSEI-DTWKUNHWSA-N -1 0 312.326 -0.397 20 0 DBADRM Cn1cnc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1=O ZINC001363050467 982101232 /nfs/dbraw/zinc/10/12/32/982101232.db2.gz AXKPYPGABCZDGT-MRVPVSSYSA-N -1 0 304.310 -0.376 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1nnn[n-]1 ZINC001363057086 982106700 /nfs/dbraw/zinc/10/67/00/982106700.db2.gz VSPIAQZUUCAVRR-RQJHMYQMSA-N -1 0 300.319 -0.563 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H](O)[C@@H](C)O ZINC001363058369 982107652 /nfs/dbraw/zinc/10/76/52/982107652.db2.gz JLSSXJPUDLALLH-SKDRFNHKSA-N -1 0 316.379 -0.080 20 0 DBADRM C[C@H](CC(=O)N[C@H](c1nnn[n-]1)c1ccccc1)NC(N)=O ZINC001363061594 982109837 /nfs/dbraw/zinc/10/98/37/982109837.db2.gz UPMIFTOLVBQPOQ-KCJUWKMLSA-N -1 0 303.326 -0.148 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC[C@H](O)[C@H](CO)C1 ZINC001363062549 982110684 /nfs/dbraw/zinc/11/06/84/982110684.db2.gz ADNFBSOTVZLOLM-WPRPVWTQSA-N -1 0 320.305 -0.749 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@]1(CCO)CCOC1 ZINC001363064333 982112193 /nfs/dbraw/zinc/11/21/93/982112193.db2.gz JEAOLUXLBXJULM-GFCCVEGCSA-N -1 0 300.315 -0.873 20 0 DBADRM NC(=O)[C@@H]1CCCN1C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001363077998 982119397 /nfs/dbraw/zinc/11/93/97/982119397.db2.gz QYJBYQNHGYFKHW-JTQLQIEISA-N -1 0 317.305 -0.644 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCCN1CC(F)F ZINC001363085421 982126351 /nfs/dbraw/zinc/12/63/51/982126351.db2.gz QVOWEUVDWXRTNL-ZETCQYMHSA-N -1 0 305.285 -0.465 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001363094069 982131600 /nfs/dbraw/zinc/13/16/00/982131600.db2.gz VRUAOVOWYCYQON-MRVPVSSYSA-N -1 0 310.310 -0.682 20 0 DBADRM COC[C@H](CO)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001363103861 982140146 /nfs/dbraw/zinc/14/01/46/982140146.db2.gz GCUADHPXXNHXBL-VIFPVBQESA-N -1 0 308.294 -0.997 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)Cc2cnn3c2CCCC3)n[n-]1 ZINC001363109165 982143832 /nfs/dbraw/zinc/14/38/32/982143832.db2.gz MRRKIUWIBAYGJV-UHFFFAOYSA-N -1 0 324.366 -0.078 20 0 DBADRM O=C(c1ccnc2c1CC(=O)N2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363116812 982148775 /nfs/dbraw/zinc/14/87/75/982148775.db2.gz PUYFTQZYHGWBAX-VIFPVBQESA-N -1 0 315.293 -0.697 20 0 DBADRM CCO[C@H](C(=O)N1CCOC[C@@H]1c1nnn[n-]1)[C@H]1CCOC1 ZINC001363117432 982148950 /nfs/dbraw/zinc/14/89/50/982148950.db2.gz WZSTYTJDKPWHIL-AXFHLTTASA-N -1 0 311.342 -0.459 20 0 DBADRM CC1(C)OCC(C)(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)CO1 ZINC001363115700 982149064 /nfs/dbraw/zinc/14/90/64/982149064.db2.gz DPABFRINOALCHC-SECBINFHSA-N -1 0 311.342 -0.111 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC001363116896 982149392 /nfs/dbraw/zinc/14/93/92/982149392.db2.gz JFDJTPBZDMQZAU-UHFFFAOYSA-N -1 0 300.340 -0.306 20 0 DBADRM Cc1ncc2n1C[C@@H](C(=O)N1CCOC[C@@H]1c1nnn[n-]1)CC2 ZINC001363117654 982149703 /nfs/dbraw/zinc/14/97/03/982149703.db2.gz YIMKGNGWMWQXEE-CMPLNLGQSA-N -1 0 317.353 -0.133 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC001363118774 982151756 /nfs/dbraw/zinc/15/17/56/982151756.db2.gz VAFHRUDZMNUWFQ-UHFFFAOYSA-N -1 0 318.355 -0.595 20 0 DBADRM Cc1nc[nH]c(=O)c1CCC(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001363129810 982156590 /nfs/dbraw/zinc/15/65/90/982156590.db2.gz WIZNFVLVURWUSO-UHFFFAOYSA-N -1 0 319.321 -0.461 20 0 DBADRM CO[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)C[C@@H]1OC ZINC001363130103 982156902 /nfs/dbraw/zinc/15/69/02/982156902.db2.gz YQSBUYDDSVIYKB-PHIMTYICSA-N -1 0 304.310 -0.253 20 0 DBADRM CCOC(=O)[C@]1(C)CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC001363187132 982208486 /nfs/dbraw/zinc/20/84/86/982208486.db2.gz VDIDAAWGVGNZEI-LBPRGKRZSA-N -1 0 312.282 -0.923 20 0 DBADRM COc1cc(CO)ccc1C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363203023 982219630 /nfs/dbraw/zinc/21/96/30/982219630.db2.gz GTBHEWCKRCKRFW-LLVKDONJSA-N -1 0 319.321 -0.086 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@H]2c2nnn[n-]2)C1 ZINC001363204461 982221889 /nfs/dbraw/zinc/22/18/89/982221889.db2.gz OPZRCUZUURGNQS-UTLUCORTSA-N -1 0 308.342 -0.609 20 0 DBADRM O=C(NCCc1nccn1C(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001363215550 982229364 /nfs/dbraw/zinc/22/93/64/982229364.db2.gz NUZCJJKSEJZJOX-UHFFFAOYSA-N -1 0 300.225 -0.153 20 0 DBADRM CCC[C@@H](O)[C@@H](CO)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363243026 982254527 /nfs/dbraw/zinc/25/45/27/982254527.db2.gz AQMSWZQJVVGLET-VXGBXAGGSA-N -1 0 320.353 -0.673 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN(C)C[C@@H]1COCCO1)C(=O)[O-] ZINC001594887592 982273599 /nfs/dbraw/zinc/27/35/99/982273599.db2.gz RKTRAXPGSNEBNJ-DMDPSCGWSA-N -1 0 302.371 -0.051 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@@](CO)(COC)C1)C(=O)[O-] ZINC001594891748 982291995 /nfs/dbraw/zinc/29/19/95/982291995.db2.gz MJXYCYDFUFQAOV-NJZAAPMLSA-N -1 0 316.398 -0.067 20 0 DBADRM O=C(NC[C@]12OCCC[C@H]1C2(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001363271063 982293399 /nfs/dbraw/zinc/29/33/99/982293399.db2.gz GJQHGPBZYGBEJH-FWOIEVBISA-N -1 0 302.237 -0.173 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001363275193 982295585 /nfs/dbraw/zinc/29/55/85/982295585.db2.gz DGSFYQBVKNKOKK-SECBINFHSA-N -1 0 320.357 -0.256 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O ZINC001363276375 982298375 /nfs/dbraw/zinc/29/83/75/982298375.db2.gz LOVGLBZTFGQEKV-SKDRFNHKSA-N -1 0 324.385 -0.540 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)NC1(c2nnn[n-]2)CCC1 ZINC001363276554 982300353 /nfs/dbraw/zinc/30/03/53/982300353.db2.gz FOXCKTCCNMFZQE-UHFFFAOYSA-N -1 0 316.387 -0.585 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1C[C@H](CO)[C@H](CO)C1)C(=O)[O-] ZINC001594893031 982300538 /nfs/dbraw/zinc/30/05/38/982300538.db2.gz GFNUQEYPJYASPL-DCQANWLSSA-N -1 0 302.371 -0.866 20 0 DBADRM C[C@@]1(CO)C[C@H](O)CN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363287344 982311689 /nfs/dbraw/zinc/31/16/89/982311689.db2.gz QFPHJXUHPYTWBY-FZMZJTMJSA-N -1 0 318.337 -0.967 20 0 DBADRM O=C(NC[C@@H]1CCN(CC(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC001363307792 982328994 /nfs/dbraw/zinc/32/89/94/982328994.db2.gz AIXKFHMSMGGBON-LURJTMIESA-N -1 0 303.269 -0.400 20 0 DBADRM O=C(NCCS(=O)(=O)C1CC1)c1c[n-]n2c1nccc2=O ZINC001363312338 982333063 /nfs/dbraw/zinc/33/30/63/982333063.db2.gz UYJCGQUIMVRJDA-UHFFFAOYSA-N -1 0 310.335 -0.670 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1(F)F ZINC001363347322 982356860 /nfs/dbraw/zinc/35/68/60/982356860.db2.gz BWPZBZQWRQKLRO-IMJSIDKUSA-N -1 0 304.209 -0.933 20 0 DBADRM CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001489675295 1014831517 /nfs/dbraw/zinc/83/15/17/1014831517.db2.gz LNMFWQCAKOZQER-NXEZZACHSA-N -1 0 323.353 -0.221 20 0 DBADRM CC(C)(CNS(N)(=O)=O)NC(=O)c1cc(F)cc(F)c1[O-] ZINC001363377478 982371012 /nfs/dbraw/zinc/37/10/12/982371012.db2.gz JQRWMABPWWPUIJ-UHFFFAOYSA-N -1 0 323.321 -0.028 20 0 DBADRM Cn1[n-]c(C(=O)NCc2ccc(S(C)(=O)=O)nc2)cc1=O ZINC001363396064 982387406 /nfs/dbraw/zinc/38/74/06/982387406.db2.gz KLAKONIAHQYGDJ-UHFFFAOYSA-N -1 0 310.335 -0.146 20 0 DBADRM O=C(c1cc2n(n1)CCO2)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001363395352 982387461 /nfs/dbraw/zinc/38/74/61/982387461.db2.gz DGGAQCBBVBQNPI-SECBINFHSA-N -1 0 303.326 -0.117 20 0 DBADRM O=C([C@H]1CCc2nncn2C1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001363402155 982392639 /nfs/dbraw/zinc/39/26/39/982392639.db2.gz VDJWCMXLVSXFCO-QWRGUYRKSA-N -1 0 316.369 -0.165 20 0 DBADRM COC(=O)c1ccnc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1 ZINC001363407453 982395205 /nfs/dbraw/zinc/39/52/05/982395205.db2.gz ISCALBXYPOQWQR-SNVBAGLBSA-N -1 0 318.293 -0.405 20 0 DBADRM O=C(c1cn(C2CCC2)nn1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363406673 982395420 /nfs/dbraw/zinc/39/54/20/982395420.db2.gz DBQMBPJVDXYBFM-JTQLQIEISA-N -1 0 304.314 -0.270 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)nc1 ZINC001363413105 982398076 /nfs/dbraw/zinc/39/80/76/982398076.db2.gz ZCXHIOJAEARNGC-SNVBAGLBSA-N -1 0 318.293 -0.405 20 0 DBADRM COc1cccc([C@@H](O)C(=O)N2CCOC[C@H]2c2nnn[n-]2)c1 ZINC001363412845 982398950 /nfs/dbraw/zinc/39/89/50/982398950.db2.gz WLAGRRPHPKYVIA-NWDGAFQWSA-N -1 0 319.321 -0.158 20 0 DBADRM COc1cccc([C@H](O)C(=O)N2CCOC[C@H]2c2nnn[n-]2)c1 ZINC001363412852 982399272 /nfs/dbraw/zinc/39/92/72/982399272.db2.gz WLAGRRPHPKYVIA-RYUDHWBXSA-N -1 0 319.321 -0.158 20 0 DBADRM O=C(NCCN1CCNC1=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001363430899 982406658 /nfs/dbraw/zinc/40/66/58/982406658.db2.gz RUXGXAAMRPYMOX-UHFFFAOYSA-N -1 0 317.305 -0.215 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CCO1 ZINC001363443549 982416052 /nfs/dbraw/zinc/41/60/52/982416052.db2.gz OSVOBZOMTXKHOM-BDAKNGLRSA-N -1 0 300.315 -0.922 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC001363451247 982423899 /nfs/dbraw/zinc/42/38/99/982423899.db2.gz MKUNXNKJDPOECE-HNNXBMFYSA-N -1 0 316.317 -0.221 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)CN1CCOCC1=O)c1nc(=O)o[n-]1 ZINC001363457947 982428670 /nfs/dbraw/zinc/42/86/70/982428670.db2.gz HXNNISCZCVBBND-JTQLQIEISA-N -1 0 312.326 -0.575 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC001363461607 982432824 /nfs/dbraw/zinc/43/28/24/982432824.db2.gz QVBRAZTWRYCTDT-ZWNOBZJWSA-N -1 0 309.370 -0.041 20 0 DBADRM CC(C)(CO)[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1cccnc1 ZINC001363462362 982433236 /nfs/dbraw/zinc/43/32/36/982433236.db2.gz SKZOHBNUDCLQGA-LLVKDONJSA-N -1 0 321.337 -0.040 20 0 DBADRM COC(=O)[C@@](C)(CCF)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363477457 982440468 /nfs/dbraw/zinc/44/04/68/982440468.db2.gz VATSLXHSIWLLKF-GFCCVEGCSA-N -1 0 318.305 -0.123 20 0 DBADRM CSCC[C@H](NC(=O)c1c[n-]n2c1nccc2=O)C(N)=O ZINC001363479676 982444087 /nfs/dbraw/zinc/44/40/87/982444087.db2.gz LKZMGMINGCBYII-QMMMGPOBSA-N -1 0 309.351 -0.641 20 0 DBADRM COC(=O)[C@H](C)N(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363479109 982444552 /nfs/dbraw/zinc/44/45/52/982444552.db2.gz XGGTVCUSVYXLAB-QMMMGPOBSA-N -1 0 304.310 -0.292 20 0 DBADRM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@H]1CCCN1c1ncccn1 ZINC001363486826 982449877 /nfs/dbraw/zinc/44/98/77/982449877.db2.gz PFWSIBKWRFUGGG-SECBINFHSA-N -1 0 316.321 -0.037 20 0 DBADRM Cc1sc(S(N)(=O)=O)cc1C(=O)N(C)c1nnn[n-]1 ZINC001363487833 982450599 /nfs/dbraw/zinc/45/05/99/982450599.db2.gz FETCOGVEOGPRDP-UHFFFAOYSA-N -1 0 302.341 -0.506 20 0 DBADRM CN1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)Cc2ccccc21 ZINC001363497042 982460470 /nfs/dbraw/zinc/46/04/70/982460470.db2.gz DQEPOPWENJPSAG-SNVBAGLBSA-N -1 0 303.322 -0.133 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1cnc(C2OCCO2)s1 ZINC001363499737 982462651 /nfs/dbraw/zinc/46/26/51/982462651.db2.gz NXAOUDSOOZQLBC-UHFFFAOYSA-N -1 0 310.291 -0.165 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCC[C@@H](O)C(F)F)c1 ZINC001363501562 982465367 /nfs/dbraw/zinc/46/53/67/982465367.db2.gz AMJFBMMJUSCGIU-SECBINFHSA-N -1 0 324.305 -0.215 20 0 DBADRM NC(=O)[C@H](F)C1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001363508040 982469731 /nfs/dbraw/zinc/46/97/31/982469731.db2.gz ZNMSKLYZORTBPS-MRVPVSSYSA-N -1 0 317.346 -0.336 20 0 DBADRM O=C(CC1CCCC1)NCC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363509632 982472325 /nfs/dbraw/zinc/47/23/25/982472325.db2.gz ASYBEFNGHXZPHH-NSHDSACASA-N -1 0 322.369 -0.204 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)s1 ZINC001363509798 982473374 /nfs/dbraw/zinc/47/33/74/982473374.db2.gz BZIZYOMVFJFONZ-LURJTMIESA-N -1 0 308.323 -0.426 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363512380 982476293 /nfs/dbraw/zinc/47/62/93/982476293.db2.gz MPCQZNIUQBXXLL-JTQLQIEISA-N -1 0 321.341 -0.471 20 0 DBADRM Cc1noc(CCCC(=O)N2CCOC[C@H]2c2nnn[n-]2)n1 ZINC001363514520 982478112 /nfs/dbraw/zinc/47/81/12/982478112.db2.gz SYKNDQCSMFHKQC-VIFPVBQESA-N -1 0 307.314 -0.186 20 0 DBADRM Cc1cc(=O)[nH]c(N2CCN(C(=O)c3c[n-]ncc3=O)CC2)n1 ZINC001363516736 982480016 /nfs/dbraw/zinc/48/00/16/982480016.db2.gz WWJQLPJJYHVMFX-UHFFFAOYSA-N -1 0 316.321 -0.051 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CC[C@@H](c3nnn[n-]3)C2)cn1 ZINC001363521929 982483227 /nfs/dbraw/zinc/48/32/27/982483227.db2.gz CEKGOVCADNRGGN-SECBINFHSA-N -1 0 301.310 -0.748 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001363527989 982488304 /nfs/dbraw/zinc/48/83/04/982488304.db2.gz NHZVUKLJIMQBMN-SSDOTTSWSA-N -1 0 306.344 -0.885 20 0 DBADRM COC(=O)[C@]12CCC[C@H]1CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001363535745 982492675 /nfs/dbraw/zinc/49/26/75/982492675.db2.gz FZPANUDGLBWTCI-CPFSXVBKSA-N -1 0 308.294 -0.302 20 0 DBADRM CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)[C@@H]1COC[C@H]1O ZINC001363536095 982492693 /nfs/dbraw/zinc/49/26/93/982492693.db2.gz MDETUXRZEIIZIT-NXEZZACHSA-N -1 0 315.351 -0.715 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(Cc2ncon2)CC1 ZINC001363540529 982496150 /nfs/dbraw/zinc/49/61/50/982496150.db2.gz VEJCLOSSTJJGPE-UHFFFAOYSA-N -1 0 306.282 -0.239 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC001363565204 982513744 /nfs/dbraw/zinc/51/37/44/982513744.db2.gz KZYCRAJFUQRNFQ-VIFPVBQESA-N -1 0 320.305 -0.037 20 0 DBADRM CC(=O)NCCN(C)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001363571196 982516857 /nfs/dbraw/zinc/51/68/57/982516857.db2.gz YMPDBHYTMJKTGQ-UHFFFAOYSA-N -1 0 319.321 -0.526 20 0 DBADRM NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001363582692 982522417 /nfs/dbraw/zinc/52/24/17/982522417.db2.gz KBRVSYUBWYVDLZ-UWVGGRQHSA-N -1 0 307.358 -0.476 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CC(c2ccccn2)=NO1)c1nnn[n-]1 ZINC001363585155 982524645 /nfs/dbraw/zinc/52/46/45/982524645.db2.gz HIXLNLHRPFSEKH-WDEREUQCSA-N -1 0 317.309 -0.408 20 0 DBADRM COC[C@@H](NC(=O)CCCN(C)C(=O)OC)c1nnn[n-]1 ZINC001363587332 982524810 /nfs/dbraw/zinc/52/48/10/982524810.db2.gz LAKQFDKAVINSDY-MRVPVSSYSA-N -1 0 300.319 -0.518 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@@H](C2OCCO2)C1 ZINC001363593126 982527979 /nfs/dbraw/zinc/52/79/79/982527979.db2.gz JHYPHOAHHBNNOV-SECBINFHSA-N -1 0 319.321 -0.707 20 0 DBADRM COC(=O)[C@@H]1C[C@H](NC(=O)CSc2n[nH]c(=O)[n-]2)[C@H]2C[C@H]21 ZINC001363593759 982528278 /nfs/dbraw/zinc/52/82/78/982528278.db2.gz AROJEJMFHICVBI-CWKFCGSDSA-N -1 0 312.351 -0.084 20 0 DBADRM CNC(=O)c1cccc(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)c1 ZINC001363616909 982539217 /nfs/dbraw/zinc/53/92/17/982539217.db2.gz AJKDJDFPTMFYMC-UHFFFAOYSA-N -1 0 303.278 -0.081 20 0 DBADRM COC(=O)C1=NO[C@@]2(CCN(C(=O)c3cc(=O)n(C)[n-]3)C2)C1 ZINC001363626422 982541928 /nfs/dbraw/zinc/54/19/28/982541928.db2.gz ISIOEMWHFCBYJG-ZDUSSCGKSA-N -1 0 308.294 -0.340 20 0 DBADRM CC[C@H]1C(=O)NCCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363624307 982542409 /nfs/dbraw/zinc/54/24/09/982542409.db2.gz SEIMUHNUMJDJEI-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CCS1(=O)=O ZINC001363635229 982547094 /nfs/dbraw/zinc/54/70/94/982547094.db2.gz XGKYVMJJNBRSOZ-RKDXNWHRSA-N -1 0 324.362 -0.282 20 0 DBADRM CC[C@@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC1 ZINC001531303144 1014852787 /nfs/dbraw/zinc/85/27/87/1014852787.db2.gz CZUVWUJVZSSZRL-VIFPVBQESA-N -1 0 323.353 -0.364 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC001363651318 982554335 /nfs/dbraw/zinc/55/43/35/982554335.db2.gz RLVVHGHXYCQELN-JTQLQIEISA-N -1 0 313.383 -0.442 20 0 DBADRM C[C@]1(C(=O)N2CCC(c3nnn[n-]3)CC2)CCCS1(=O)=O ZINC001363663380 982558908 /nfs/dbraw/zinc/55/89/08/982558908.db2.gz WWAJVVIQGWZYKY-GFCCVEGCSA-N -1 0 313.383 -0.127 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2CCC(c3nnn[n-]3)CC2)cn1 ZINC001363662049 982559944 /nfs/dbraw/zinc/55/99/44/982559944.db2.gz VBMSVPAUAJXOSK-UHFFFAOYSA-N -1 0 315.337 -0.026 20 0 DBADRM O=C([N-]Cc1ccc(C(=O)NC[C@@H](O)CO)o1)C(F)(F)F ZINC001363665010 982561048 /nfs/dbraw/zinc/56/10/48/982561048.db2.gz SFTFWYRGTNKDTG-ZCFIWIBFSA-N -1 0 310.228 -0.459 20 0 DBADRM Nc1nccnc1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001363703673 982578285 /nfs/dbraw/zinc/57/82/85/982578285.db2.gz MFOBOGJGJPWHLW-UHFFFAOYSA-N -1 0 303.244 -0.191 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)[N-]n2ccccc2=O)o1 ZINC001363711156 982581620 /nfs/dbraw/zinc/58/16/20/982581620.db2.gz QOFNIUHTJDPKIW-UHFFFAOYSA-N -1 0 311.319 -0.126 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)cn1 ZINC001363719625 982588212 /nfs/dbraw/zinc/58/82/12/982588212.db2.gz JLEHPRFOIVXZLB-VIFPVBQESA-N -1 0 301.310 -0.416 20 0 DBADRM O=C([C@H]1CCC2N=NC(=O)N2C1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363724985 982590496 /nfs/dbraw/zinc/59/04/96/982590496.db2.gz RPNQPDUGDPTHNT-SFYZADRCSA-N -1 0 304.314 -0.925 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1C[C@@H](O)CC2(CCOCC2)C1 ZINC001363722487 982590665 /nfs/dbraw/zinc/59/06/65/982590665.db2.gz NXDZMTUTJIZUFK-NSHDSACASA-N -1 0 309.370 -0.088 20 0 DBADRM CCOC(=O)[C@@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001363748212 982605066 /nfs/dbraw/zinc/60/50/66/982605066.db2.gz FJFQPVXGLXBOJX-GJEGPGMTSA-N -1 0 301.390 -0.653 20 0 DBADRM CCN1CCC[C@@H](NS(=O)(=O)C2(C(=O)[O-])CCC2)C1=O ZINC001596418881 1017143619 /nfs/dbraw/zinc/14/36/19/1017143619.db2.gz XMYCXXYNLFONHY-SECBINFHSA-N -1 0 304.368 -0.076 20 0 DBADRM C/C=C(/C)C(=O)N[C@H](CC)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001531336938 1014855637 /nfs/dbraw/zinc/85/56/37/1014855637.db2.gz CNOVEMOLIQFHDI-RBMBQVQZSA-N -1 0 309.326 -0.126 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC001363777997 982626320 /nfs/dbraw/zinc/62/63/20/982626320.db2.gz GASVGJMYIJMDDL-UWVGGRQHSA-N -1 0 312.326 -0.514 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC1(C2(O)CCC2)CC1 ZINC001363779061 982630228 /nfs/dbraw/zinc/63/02/28/982630228.db2.gz KRSIKQZCXWHGCL-UHFFFAOYSA-N -1 0 317.349 -0.117 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CS(=O)(=O)C1CC1 ZINC001363800851 982643620 /nfs/dbraw/zinc/64/36/20/982643620.db2.gz KHXMYGZBWKPFLD-UHFFFAOYSA-N -1 0 301.372 -0.239 20 0 DBADRM CN(CC(=O)Nc1ccccc1C(N)=O)Cc1n[n-]c(=O)o1 ZINC001363806445 982649190 /nfs/dbraw/zinc/64/91/90/982649190.db2.gz RWIWGVJANPZLQU-UHFFFAOYSA-N -1 0 305.294 -0.055 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)[C@@H]2CCOC2)on1 ZINC001363839868 982669130 /nfs/dbraw/zinc/66/91/30/982669130.db2.gz ZYFGHMGVBBPNTH-APPZFPTMSA-N -1 0 320.323 -0.863 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)CCCc2nnn[n-]2)CS1(=O)=O ZINC001363856787 982675760 /nfs/dbraw/zinc/67/57/60/982675760.db2.gz JENLLIGXDCQQES-BDAKNGLRSA-N -1 0 301.372 -0.396 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)CCCc2nnn[n-]2)CS1(=O)=O ZINC001363856788 982677883 /nfs/dbraw/zinc/67/78/83/982677883.db2.gz JENLLIGXDCQQES-DTWKUNHWSA-N -1 0 301.372 -0.396 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001363862431 982680308 /nfs/dbraw/zinc/68/03/08/982680308.db2.gz NJEPSVUXTGCANK-LLVKDONJSA-N -1 0 319.408 -0.001 20 0 DBADRM CC[C@@H]1CN(S(=O)(=O)c2ncc[n-]2)C[C@H](C)S1(=O)=O ZINC001363882913 982689164 /nfs/dbraw/zinc/68/91/64/982689164.db2.gz UENBWDAUWQKLMR-DTWKUNHWSA-N -1 0 307.397 -0.004 20 0 DBADRM NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCc1nnn[n-]1 ZINC001363891638 982701580 /nfs/dbraw/zinc/70/15/80/982701580.db2.gz BAZGEODMMWLOPG-LBPRGKRZSA-N -1 0 314.349 -0.039 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)N[C@@H]1COC(=O)C1 ZINC001363917097 982717624 /nfs/dbraw/zinc/71/76/24/982717624.db2.gz PPPUHQXJODJDRR-YFKPBYRVSA-N -1 0 306.321 -0.477 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1C[C@H](CCO)[C@H](CO)C1 ZINC001363932805 982730300 /nfs/dbraw/zinc/73/03/00/982730300.db2.gz AMBPAKKUHUJGQJ-UWVGGRQHSA-N -1 0 306.322 -0.915 20 0 DBADRM CC[C@](COC)([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)OC ZINC001363933738 982733556 /nfs/dbraw/zinc/73/35/56/982733556.db2.gz GMKBLXWQYRXFLB-SECBINFHSA-N -1 0 316.401 -0.483 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H]1CC(=O)N(C)C1 ZINC001363959796 982750852 /nfs/dbraw/zinc/75/08/52/982750852.db2.gz BNOBZDHWMOXMQJ-ZETCQYMHSA-N -1 0 302.308 -0.425 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1cc(OC)ns1 ZINC001363963928 982752243 /nfs/dbraw/zinc/75/22/43/982752243.db2.gz IDQKWWQKJKSRKU-SSDOTTSWSA-N -1 0 310.353 -0.895 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@H](c2ncon2)C1 ZINC001363977084 982761660 /nfs/dbraw/zinc/76/16/60/982761660.db2.gz MBMBAXUMPYVRDF-QMMMGPOBSA-N -1 0 315.293 -0.530 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)NC[C@@]2(O)CCOC2)c1 ZINC001363978423 982763619 /nfs/dbraw/zinc/76/36/19/982763619.db2.gz RFABJRJJLRUYMZ-LBPRGKRZSA-N -1 0 303.336 -0.170 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@H](C)c2noc(C)n2)CC1=O ZINC001363983193 982765868 /nfs/dbraw/zinc/76/58/68/982765868.db2.gz ZZRIQVGFNKZOAN-APPZFPTMSA-N -1 0 302.356 -0.021 20 0 DBADRM Cc1nnc([C@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)o1 ZINC001363986094 982768125 /nfs/dbraw/zinc/76/81/25/982768125.db2.gz CKMGXOUCBSPCOQ-QQOXFEPMSA-N -1 0 311.389 -0.152 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CO)C2CCC2)n[nH]1 ZINC001364004819 982779245 /nfs/dbraw/zinc/77/92/45/982779245.db2.gz BQQBTZHIDIUVJH-SECBINFHSA-N -1 0 303.340 -0.364 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H]1C[C@H](C(N)=O)C1 ZINC001364012810 982784477 /nfs/dbraw/zinc/78/44/77/982784477.db2.gz SEQXMWIBBXRZDV-LJGSYFOKSA-N -1 0 302.308 -0.392 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1cn(C)nn1 ZINC001364013723 982785996 /nfs/dbraw/zinc/78/59/96/982785996.db2.gz KJFGQZQIJKJDEH-UHFFFAOYSA-N -1 0 300.296 -0.327 20 0 DBADRM O=C1CCCN1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001364019270 982789074 /nfs/dbraw/zinc/78/90/74/982789074.db2.gz DVDAJDILXTYPJA-UHFFFAOYSA-N -1 0 311.319 -0.167 20 0 DBADRM CO[C@@H]1CCC[C@@H]1S(=O)(=O)NCc1nc(C(N)=O)co1 ZINC001364025844 982792590 /nfs/dbraw/zinc/79/25/90/982792590.db2.gz NUQUETMGQMIOHN-BDAKNGLRSA-N -1 0 303.340 -0.240 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001364045109 982804643 /nfs/dbraw/zinc/80/46/43/982804643.db2.gz BXFNYNUFDZAFGC-HTQZYQBOSA-N -1 0 318.355 -0.412 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H]1COC[C@H]1C ZINC001364043511 982804735 /nfs/dbraw/zinc/80/47/35/982804735.db2.gz CGMXKVYMCBPACY-SVRRBLITSA-N -1 0 303.340 -0.182 20 0 DBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC001364043256 982805041 /nfs/dbraw/zinc/80/50/41/982805041.db2.gz OBVIJHMIIVSVAS-IRCOFANPSA-N -1 0 321.395 -0.213 20 0 DBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1nnn(C)n1 ZINC001364043044 982805309 /nfs/dbraw/zinc/80/53/09/982805309.db2.gz VISWXHTZHOEUAY-YUMQZZPRSA-N -1 0 303.344 -0.316 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CCC(=O)NC2=O)cc1=O ZINC001532001305 1014881459 /nfs/dbraw/zinc/88/14/59/1014881459.db2.gz GFJDLJHABMJVCM-SNVBAGLBSA-N -1 0 308.338 -0.704 20 0 DBADRM COC(=O)[C@H](C[C@H]1CCCO1)NS(=O)(=O)c1ncc[n-]1 ZINC001364049535 982807863 /nfs/dbraw/zinc/80/78/63/982807863.db2.gz MEDGAALBRIPUKI-BDAKNGLRSA-N -1 0 303.340 -0.201 20 0 DBADRM CS(=O)(=O)c1nnc(NC(=O)c2ncc3n2CCCC3)[n-]1 ZINC001364050052 982808099 /nfs/dbraw/zinc/80/80/99/982808099.db2.gz TYRDBKDTDOQYHT-UHFFFAOYSA-N -1 0 310.339 -0.007 20 0 DBADRM CCN(C1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1)S(C)(=O)=O ZINC001364049706 982808178 /nfs/dbraw/zinc/80/81/78/982808178.db2.gz OENKMBMEGNEISB-UHFFFAOYSA-N -1 0 317.371 -0.604 20 0 DBADRM COC(=O)[C@@H](C[C@@H]1CCCO1)NS(=O)(=O)c1ncc[n-]1 ZINC001364049539 982808450 /nfs/dbraw/zinc/80/84/50/982808450.db2.gz MEDGAALBRIPUKI-DTWKUNHWSA-N -1 0 303.340 -0.201 20 0 DBADRM CC(=O)N[C@](C)(C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)C(C)C ZINC001364051767 982808689 /nfs/dbraw/zinc/80/86/89/982808689.db2.gz YOIOOSYPACHLFI-NSHDSACASA-N -1 0 317.371 -0.303 20 0 DBADRM Cc1ccn(C[C@@H](C)C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)n1 ZINC001364049637 982808765 /nfs/dbraw/zinc/80/87/65/982808765.db2.gz NPSPOAQFGOBMDT-SSDOTTSWSA-N -1 0 312.355 -0.012 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CCN(c2nc(C)cc(=O)[nH]2)C1 ZINC001364053016 982809896 /nfs/dbraw/zinc/80/98/96/982809896.db2.gz APKMTLSPDDCBCC-VIFPVBQESA-N -1 0 303.326 -0.074 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCCN(c2nc(C)cc(=O)[nH]2)C1 ZINC001364053266 982810138 /nfs/dbraw/zinc/81/01/38/982810138.db2.gz VZXMZMMWIQGVHQ-NSHDSACASA-N -1 0 307.354 -0.288 20 0 DBADRM CCOC(=O)[C@H](CSC)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001364058787 982812518 /nfs/dbraw/zinc/81/25/18/982812518.db2.gz WLINUARNUJSMMA-YFKPBYRVSA-N -1 0 302.312 -0.693 20 0 DBADRM CN1CCN(CC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC001364066070 982815669 /nfs/dbraw/zinc/81/56/69/982815669.db2.gz BIVYHOPAFQJXOD-LLVKDONJSA-N -1 0 308.386 -0.536 20 0 DBADRM CC(=O)NCC(=O)NC[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001532068393 1014882587 /nfs/dbraw/zinc/88/25/87/1014882587.db2.gz FJXWMDISMGAJPT-SSDOTTSWSA-N -1 0 311.342 -0.958 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NS(=O)(=O)N(C)C(C)C ZINC001364078579 982819232 /nfs/dbraw/zinc/81/92/32/982819232.db2.gz WIBLRKGJPPEPDN-SECBINFHSA-N -1 0 310.372 -0.534 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@H](CO)c2nncn2C)sn1 ZINC001364076513 982819650 /nfs/dbraw/zinc/81/96/50/982819650.db2.gz SUXJKMLGEFXGRW-ZETCQYMHSA-N -1 0 303.369 -0.408 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC001364119115 982832667 /nfs/dbraw/zinc/83/26/67/982832667.db2.gz NQVWNXUBYZOYNB-JTQLQIEISA-N -1 0 319.408 -0.003 20 0 DBADRM C[C@@H](O)C1(NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1 ZINC001364117141 982833065 /nfs/dbraw/zinc/83/30/65/982833065.db2.gz YWXHFZZEFZZTBP-MRVPVSSYSA-N -1 0 304.306 -0.091 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H](CO)C[C@@H]1CCCO1 ZINC001364117981 982833348 /nfs/dbraw/zinc/83/33/48/982833348.db2.gz JIKCRXNRKUOISF-ZJUUUORDSA-N -1 0 321.337 -0.883 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1 ZINC001364121794 982834035 /nfs/dbraw/zinc/83/40/35/982834035.db2.gz CWXFAPXZKSVZAH-OCAPTIKFSA-N -1 0 302.360 -0.846 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC001364122234 982834209 /nfs/dbraw/zinc/83/42/09/982834209.db2.gz DNFKFDVEZSKHQE-NEPJUHHUSA-N -1 0 320.353 -0.279 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001364123785 982834714 /nfs/dbraw/zinc/83/47/14/982834714.db2.gz GWQUIYISQLISPO-IUCAKERBSA-N -1 0 314.371 -0.987 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(c2ncccn2)CC1 ZINC001364130913 982835534 /nfs/dbraw/zinc/83/55/34/982835534.db2.gz NJPIEJLCMJAKDG-UHFFFAOYSA-N -1 0 303.330 -0.741 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]CC(F)(F)C(=O)OC)OC ZINC001364125652 982835904 /nfs/dbraw/zinc/83/59/04/982835904.db2.gz KBANGCFOYBPQTN-ZETCQYMHSA-N -1 0 305.299 -0.625 20 0 DBADRM COc1nn(C)cc1C[N-]S(=O)(=O)c1c(C)onc1N ZINC001364153861 982840412 /nfs/dbraw/zinc/84/04/12/982840412.db2.gz RZLVYUQESNBYBK-UHFFFAOYSA-N -1 0 301.328 -0.214 20 0 DBADRM COc1cnc(C(C)(C)NC(=O)C2(NC(N)=O)CC2)[nH]c1=O ZINC001364233494 982865849 /nfs/dbraw/zinc/86/58/49/982865849.db2.gz JAUWPUDQFOEXDC-UHFFFAOYSA-N -1 0 309.326 -0.257 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCC[C@H](C(=O)N(C)C)C1 ZINC001364241565 982868348 /nfs/dbraw/zinc/86/83/48/982868348.db2.gz WSWSMFLQOCHYCD-QMMMGPOBSA-N -1 0 324.337 -0.163 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCc1cccc2c1OCCO2 ZINC001364243843 982868957 /nfs/dbraw/zinc/86/89/57/982868957.db2.gz PYKFEKXMMHPUEV-UHFFFAOYSA-N -1 0 320.305 -0.181 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1ccnc(N2CCCC2)n1 ZINC001364248779 982870314 /nfs/dbraw/zinc/87/03/14/982870314.db2.gz OXKRAGDHXCPARC-UHFFFAOYSA-N -1 0 302.294 -0.277 20 0 DBADRM Cc1[n-][nH]c(=O)c1Sc1nnc(C2CC2)n1CCC(N)=O ZINC001364266241 982877384 /nfs/dbraw/zinc/87/73/84/982877384.db2.gz CWSKLUQHKUOTIN-SECBINFHSA-N -1 0 308.367 -0.003 20 0 DBADRM COC(=O)C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)(C)C ZINC001364293233 982888874 /nfs/dbraw/zinc/88/88/74/982888874.db2.gz LYBHYVDTRLMSFP-SSDOTTSWSA-N -1 0 300.315 -0.217 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001364334001 982909537 /nfs/dbraw/zinc/90/95/37/982909537.db2.gz RPZPVKTVUCZOTD-QMMMGPOBSA-N -1 0 321.337 -0.715 20 0 DBADRM Cn1nncc1NC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001364333468 982910845 /nfs/dbraw/zinc/91/08/45/982910845.db2.gz OEMYZZXXAZYQKB-QMMMGPOBSA-N -1 0 304.314 -0.289 20 0 DBADRM O=C([O-])CN1CCN(S(=O)(=O)CCOCC2CC2)CC1 ZINC000926584631 982910953 /nfs/dbraw/zinc/91/09/53/982910953.db2.gz ZTYGOKZWDIIFAW-UHFFFAOYSA-N -1 0 306.384 -0.555 20 0 DBADRM C[C@@H](CNC(=O)C=C1CCC1)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001532174764 1014893943 /nfs/dbraw/zinc/89/39/43/1014893943.db2.gz CIKYASNSFZNXJV-VIFPVBQESA-N -1 0 323.353 -0.332 20 0 DBADRM O=C([C@@H]1CCn2cncc2C1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001364382351 982950668 /nfs/dbraw/zinc/95/06/68/982950668.db2.gz CFJIOSGCJNVGIO-KOLCDFICSA-N -1 0 303.326 -0.441 20 0 DBADRM Cn1nc2c(c1C(=O)N1CCOC[C@@H]1c1nnn[n-]1)CCC2 ZINC001364382470 982952644 /nfs/dbraw/zinc/95/26/44/982952644.db2.gz FEUGHNFLZMORSH-SNVBAGLBSA-N -1 0 303.326 -0.364 20 0 DBADRM O=C(COCc1ccccn1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001364384479 982953841 /nfs/dbraw/zinc/95/38/41/982953841.db2.gz VZGUZBQEGIQWNI-LLVKDONJSA-N -1 0 304.310 -0.289 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCc2nnnn2CC1)c1nn(C)cc1[O-] ZINC001364395767 982958965 /nfs/dbraw/zinc/95/89/65/982958965.db2.gz GDBIPYPKXVQSTR-IUCAKERBSA-N -1 0 305.342 -0.058 20 0 DBADRM Nc1nc2nc(CN3CC(=O)N(CC4CC4)C3)cc(=O)n2[n-]1 ZINC001364398788 982959046 /nfs/dbraw/zinc/95/90/46/982959046.db2.gz PGOULDCEHWBEEP-UHFFFAOYSA-N -1 0 303.326 -0.989 20 0 DBADRM COC[C@@](C)(CO)NCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC001364476005 983014927 /nfs/dbraw/zinc/01/49/27/983014927.db2.gz IBNOPXFOBDAFDW-CYBMUJFWSA-N -1 0 313.379 -0.005 20 0 DBADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CC[C@@H](O)[C@@H](O)C1 ZINC001364514860 983032646 /nfs/dbraw/zinc/03/26/46/983032646.db2.gz LIELHYWMGJCFTJ-MNOVXSKESA-N -1 0 305.290 -0.402 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2CC[C@@H](c3nnn[n-]3)C2)n1 ZINC001364566282 983055419 /nfs/dbraw/zinc/05/54/19/983055419.db2.gz BGXLLDNUUNULTK-MRVPVSSYSA-N -1 0 305.298 -0.801 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001364569325 983056109 /nfs/dbraw/zinc/05/61/09/983056109.db2.gz TZTSCXBSMNWJER-DTWKUNHWSA-N -1 0 316.387 -0.911 20 0 DBADRM CC1(C)OCC(NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CO1 ZINC001573615369 983068942 /nfs/dbraw/zinc/06/89/42/983068942.db2.gz XIPYMBQSQVIXKR-UHFFFAOYSA-N -1 0 305.312 -0.462 20 0 DBADRM O=C(NC[C@H]1C[C@H](O)C1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001364698839 983099486 /nfs/dbraw/zinc/09/94/86/983099486.db2.gz GMGBCSSLBZHSHX-JLIMDTESSA-N -1 0 304.306 -0.233 20 0 DBADRM CC(C)OC(=O)C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001364770098 983126746 /nfs/dbraw/zinc/12/67/46/983126746.db2.gz VCJFEISJSSQUJH-QGZVFWFLSA-N -1 0 301.390 -0.653 20 0 DBADRM O=c1[n-]c(CN2CCN(C[C@H]3CCCS3(=O)=O)CC2)n[nH]1 ZINC001364783863 983131977 /nfs/dbraw/zinc/13/19/77/983131977.db2.gz ZLSYQOQXYSTUGF-SNVBAGLBSA-N -1 0 315.399 -0.795 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C[C@H](C)O ZINC001364788678 983136441 /nfs/dbraw/zinc/13/64/41/983136441.db2.gz ZIONHDVPOSAGPP-SFYZADRCSA-N -1 0 305.356 -0.829 20 0 DBADRM COC(=O)[C@@]1(NS(=O)(=O)c2cnc(OC)s2)CCOC1 ZINC001364798503 983140174 /nfs/dbraw/zinc/14/01/74/983140174.db2.gz QHIADSJALGSNBJ-SNVBAGLBSA-N -1 0 322.364 -0.238 20 0 DBADRM COc1ncc(S(=O)(=O)NCCS(C)(=O)=O)s1 ZINC001364799250 983140242 /nfs/dbraw/zinc/14/02/42/983140242.db2.gz VOYUCALJCGSTTG-UHFFFAOYSA-N -1 0 300.383 -0.525 20 0 DBADRM COC[C@H](NC(=O)COCc1ccc(OC)nc1)c1nnn[n-]1 ZINC001364811754 983147799 /nfs/dbraw/zinc/14/77/99/983147799.db2.gz CNQMNWZRGAMKAO-JTQLQIEISA-N -1 0 322.325 -0.376 20 0 DBADRM COC[C@H](NC(=O)c1cc(Br)n[nH]1)c1nnn[n-]1 ZINC001364812803 983148609 /nfs/dbraw/zinc/14/86/09/983148609.db2.gz FOZRDDPFFYUKKC-YFKPBYRVSA-N -1 0 316.119 -0.197 20 0 DBADRM COC[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)c1nnn[n-]1 ZINC001364812657 983148652 /nfs/dbraw/zinc/14/86/52/983148652.db2.gz FFLKQILRVDSCMQ-ZETCQYMHSA-N -1 0 305.360 -0.783 20 0 DBADRM COC[C@H](NC(=O)[C@H](C)Oc1cccc(CO)c1)c1nnn[n-]1 ZINC001364814976 983149819 /nfs/dbraw/zinc/14/98/19/983149819.db2.gz OOSZKASCFBWMRA-CABZTGNLSA-N -1 0 321.337 -0.037 20 0 DBADRM COC[C@@H](NC(=O)c1cnc(OCC2CC2)cn1)c1nnn[n-]1 ZINC001364817106 983152116 /nfs/dbraw/zinc/15/21/16/983152116.db2.gz YUEOLIPSYRITPV-SNVBAGLBSA-N -1 0 319.325 -0.104 20 0 DBADRM O=C([C@H]1CCCS1(=O)=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001364819370 983153544 /nfs/dbraw/zinc/15/35/44/983153544.db2.gz PKDDLJGSZIWYMR-VHSXEESVSA-N -1 0 313.383 -0.442 20 0 DBADRM O=C([C@@H]1CCCS1(=O)=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001364819372 983155053 /nfs/dbraw/zinc/15/50/53/983155053.db2.gz PKDDLJGSZIWYMR-ZJUUUORDSA-N -1 0 313.383 -0.442 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@](C)(C(N)=O)C2)n[nH]1 ZINC001364824493 983157861 /nfs/dbraw/zinc/15/78/61/983157861.db2.gz BUTDERANDXHTTO-LLVKDONJSA-N -1 0 316.339 -0.918 20 0 DBADRM COCC[C@@H](CO)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001364827754 983159260 /nfs/dbraw/zinc/15/92/60/983159260.db2.gz QSRAKRKOAJJHEX-VIFPVBQESA-N -1 0 300.402 -0.520 20 0 DBADRM COC[C@](C)([N-]S(=O)(=O)CC1(C(=O)OC)CC1)C(=O)OC ZINC001364832241 983162835 /nfs/dbraw/zinc/16/28/35/983162835.db2.gz YUMHXUWYBLHTMY-NSHDSACASA-N -1 0 323.367 -0.563 20 0 DBADRM C[C@@H](NCC1=Nc2ccccc2S(=O)(=O)[N-]1)c1nnnn1C ZINC001364836502 983165105 /nfs/dbraw/zinc/16/51/05/983165105.db2.gz KFYLJMSNIWWVHI-MRVPVSSYSA-N -1 0 321.366 -0.117 20 0 DBADRM CCS(=O)(=O)C1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001364856782 983171813 /nfs/dbraw/zinc/17/18/13/983171813.db2.gz OPWYRLXPQQVEMV-UHFFFAOYSA-N -1 0 307.397 -0.003 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H](CCO)C(F)(F)F ZINC001364860658 983174234 /nfs/dbraw/zinc/17/42/34/983174234.db2.gz NBFCBWUXQLTLCV-LURJTMIESA-N -1 0 312.248 -0.101 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCC1(C2(O)CCOCC2)CC1 ZINC001364887684 983186001 /nfs/dbraw/zinc/18/60/01/983186001.db2.gz RCEXRSCYRFLGPP-UHFFFAOYSA-N -1 0 309.370 -0.040 20 0 DBADRM CC1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)COC1 ZINC001364898395 983189759 /nfs/dbraw/zinc/18/97/59/983189759.db2.gz FESFVEZCNFRTKR-UHFFFAOYSA-N -1 0 312.307 -0.497 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]N1CCCC1=O ZINC001364896965 983190154 /nfs/dbraw/zinc/19/01/54/983190154.db2.gz JKDLWMXPQFZGEB-UHFFFAOYSA-N -1 0 302.312 -0.598 20 0 DBADRM CC(C)O[C@@]1(CS(=O)(=O)[N-]c2nnn(C)n2)CCOC1 ZINC001364914542 983196552 /nfs/dbraw/zinc/19/65/52/983196552.db2.gz ABZQRAJGPWTNNR-JTQLQIEISA-N -1 0 305.360 -0.464 20 0 DBADRM CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001364916981 983197641 /nfs/dbraw/zinc/19/76/41/983197641.db2.gz FQLKHGIDYUIGMJ-SSDOTTSWSA-N -1 0 309.326 -0.198 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1nc2c(s1)COCC2 ZINC001364919421 983199194 /nfs/dbraw/zinc/19/91/94/983199194.db2.gz YAZJLSPLMZBTSP-UHFFFAOYSA-N -1 0 311.323 -0.465 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@]12C[C@H]1COC2 ZINC001364933747 983204487 /nfs/dbraw/zinc/20/44/87/983204487.db2.gz HGDTWRHGANTHDL-UFBFGSQYSA-N -1 0 315.351 -0.038 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCS(=O)(=O)[C@H](C)C1 ZINC001365056777 983244152 /nfs/dbraw/zinc/24/41/52/983244152.db2.gz UFYBGSBGFPNNEC-SFYZADRCSA-N -1 0 302.360 -0.798 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H](O)COc1ccc(F)cc1 ZINC001365055442 983244531 /nfs/dbraw/zinc/24/45/31/983244531.db2.gz NNIRWQBLSAPHJO-JTQLQIEISA-N -1 0 324.316 -0.185 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1 ZINC001365056070 983244666 /nfs/dbraw/zinc/24/46/66/983244666.db2.gz IFUGDEGVYLKLSQ-SNVBAGLBSA-N -1 0 309.374 -0.117 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCC[C@H]1C1OCCO1 ZINC001365054598 983244828 /nfs/dbraw/zinc/24/48/28/983244828.db2.gz ZWAJOWGEVRFKCF-JTQLQIEISA-N -1 0 319.321 -0.565 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCS(=O)(=O)[C@@H](C)C1 ZINC001365056778 983244931 /nfs/dbraw/zinc/24/49/31/983244931.db2.gz UFYBGSBGFPNNEC-YUMQZZPRSA-N -1 0 302.360 -0.798 20 0 DBADRM Nc1nsc(N2CCN(S(=O)(=O)c3ncc[n-]3)CC2)n1 ZINC001365132183 983268784 /nfs/dbraw/zinc/26/87/84/983268784.db2.gz FDISIPAPAOBJBJ-UHFFFAOYSA-N -1 0 315.384 -0.646 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCOC[C@H]1CCO ZINC001365147749 983275465 /nfs/dbraw/zinc/27/54/65/983275465.db2.gz LBHOYMYBVIXBPW-SECBINFHSA-N -1 0 300.315 -0.921 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC001365202789 983295790 /nfs/dbraw/zinc/29/57/90/983295790.db2.gz QWBIFLZAYFRNMB-UHFFFAOYSA-N -1 0 315.337 -0.278 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1ccc(OC)nc1OC ZINC001365203089 983296155 /nfs/dbraw/zinc/29/61/55/983296155.db2.gz SBBGNWMCOJHWTP-UHFFFAOYSA-N -1 0 307.314 -0.151 20 0 DBADRM CN1C(=O)CN=C1NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001365204582 983296323 /nfs/dbraw/zinc/29/63/23/983296323.db2.gz MXNKEFKOFOEHDR-UHFFFAOYSA-N -1 0 301.262 -0.412 20 0 DBADRM O=C(N[C@H]1CCS(=O)(=O)C2(CCC2)C1)c1n[nH]c(=O)[n-]1 ZINC001365215094 983299938 /nfs/dbraw/zinc/29/99/38/983299938.db2.gz PDTBKRGSUNJERP-ZETCQYMHSA-N -1 0 300.340 -0.260 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CCCCS1(=O)=O ZINC001365383582 983357960 /nfs/dbraw/zinc/35/79/60/983357960.db2.gz QKLANXIELNRSLC-QMMMGPOBSA-N -1 0 318.442 -0.484 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](C)C(=O)NCCF ZINC001365384891 983359182 /nfs/dbraw/zinc/35/91/82/983359182.db2.gz JFZKUSUUQRLSAS-QMMMGPOBSA-N -1 0 317.408 -0.197 20 0 DBADRM COC[C@H](CCO)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001365387452 983359877 /nfs/dbraw/zinc/35/98/77/983359877.db2.gz CXKMJWDNEVSOIK-VIFPVBQESA-N -1 0 300.402 -0.520 20 0 DBADRM CS(=O)(=O)C1(C[N-]S(=O)(=O)N=S(C)(C)=O)CCC1 ZINC001365394045 983362189 /nfs/dbraw/zinc/36/21/89/983362189.db2.gz FKGZCFDRAWGZNI-UHFFFAOYSA-N -1 0 318.442 -0.484 20 0 DBADRM COC[C@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC001365395248 983362621 /nfs/dbraw/zinc/36/26/21/983362621.db2.gz NGDSIYVSTBWYNX-WNWIJWBNSA-N -1 0 302.418 -0.276 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]CCS(=O)(=O)C1CC1 ZINC001365416409 983372739 /nfs/dbraw/zinc/37/27/39/983372739.db2.gz BVQAALISSFCXMA-UHFFFAOYSA-N -1 0 304.415 -0.874 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365424370 983377552 /nfs/dbraw/zinc/37/75/52/983377552.db2.gz KJKLPESQBFAOKI-GHMZBOCLSA-N -1 0 324.385 -0.270 20 0 DBADRM COC[C@@]1(C(=O)OC)CCCN1S(=O)(=O)c1ncc[n-]1 ZINC001365434523 983384291 /nfs/dbraw/zinc/38/42/91/983384291.db2.gz GXGFDYFYWARALD-LLVKDONJSA-N -1 0 303.340 -0.248 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@]1(C)CCNC1=O ZINC001365463101 983398502 /nfs/dbraw/zinc/39/85/02/983398502.db2.gz UNNKVQLVGUATKI-MLCYQJTMSA-N -1 0 311.429 -0.004 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC(C)(C)CCS(C)(=O)=O ZINC001365501141 983404515 /nfs/dbraw/zinc/40/45/15/983404515.db2.gz SSNROOIHZCKGMJ-UHFFFAOYSA-N -1 0 304.376 -0.550 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001365526563 983409150 /nfs/dbraw/zinc/40/91/50/983409150.db2.gz LBRPQTVYSBGBTI-UHFFFAOYSA-N -1 0 318.341 -0.715 20 0 DBADRM CCCn1ncnc1CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001596125877 983463321 /nfs/dbraw/zinc/46/33/21/983463321.db2.gz KKLNQCBVIYENGG-UHFFFAOYSA-N -1 0 316.383 -0.190 20 0 DBADRM CCCn1nnnc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001596126120 983464752 /nfs/dbraw/zinc/46/47/52/983464752.db2.gz WOKJZUNVZRWSIC-XWLWVQCSSA-N -1 0 322.369 -0.459 20 0 DBADRM CCCn1nnnc1CN1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001596126113 983464762 /nfs/dbraw/zinc/46/47/62/983464762.db2.gz WMZPXALDKKHHSM-GHMZBOCLSA-N -1 0 322.369 -0.554 20 0 DBADRM CCN(C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1)C1CC1 ZINC001596128508 983473502 /nfs/dbraw/zinc/47/35/02/983473502.db2.gz OFUYLKDYHAAJHP-VHSXEESVSA-N -1 0 312.322 -0.671 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-][C@@H](CO)C(=O)OC ZINC001365683743 983477954 /nfs/dbraw/zinc/47/79/54/983477954.db2.gz BNIFYDAJEFLKTP-IUCAKERBSA-N -1 0 311.356 -0.829 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1cc([O-])cc(F)c1)C(N)=O ZINC001365684223 983478201 /nfs/dbraw/zinc/47/82/01/983478201.db2.gz QLOUKEVQOPNCBM-SNVBAGLBSA-N -1 0 306.315 -0.300 20 0 DBADRM CCn1nccc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001365691016 983482039 /nfs/dbraw/zinc/48/20/39/983482039.db2.gz ISVVWVJQRCWQEA-UHFFFAOYSA-N -1 0 305.342 -0.315 20 0 DBADRM CCN(C(=O)CCc1ocnc1C(=O)[O-])[C@@H]1CC(=O)NC1=O ZINC001596139840 983491713 /nfs/dbraw/zinc/49/17/13/983491713.db2.gz KKKYWOSEMBMAMN-SSDOTTSWSA-N -1 0 309.278 -0.431 20 0 DBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001365710861 983495021 /nfs/dbraw/zinc/49/50/21/983495021.db2.gz WSXQDYNXAPEENU-ZETCQYMHSA-N -1 0 302.349 -0.406 20 0 DBADRM CC[C@H](NS(=O)(=O)c1csnc1C(=O)OC)C(=O)NC ZINC001365715241 983496269 /nfs/dbraw/zinc/49/62/69/983496269.db2.gz NADMZVBFAZRBER-LURJTMIESA-N -1 0 321.380 -0.267 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)C(=O)OC)on1 ZINC001365736180 983511059 /nfs/dbraw/zinc/51/10/59/983511059.db2.gz LSWPPUHOYPUHBA-UHFFFAOYSA-N -1 0 320.323 -0.061 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC(=O)c1cnn(C)c1 ZINC001365744350 983519649 /nfs/dbraw/zinc/51/96/49/983519649.db2.gz WATQPAPBXGYKEF-LJQANCHMSA-N -1 0 323.400 -0.988 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H]1CCC2(CCOCC2)O1 ZINC001365823350 983543442 /nfs/dbraw/zinc/54/34/42/983543442.db2.gz QCTACSGJQQMHIE-JTQLQIEISA-N -1 0 310.358 -0.035 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001365825328 983544437 /nfs/dbraw/zinc/54/44/37/983544437.db2.gz ZJLCNTARUWAXBL-CBLAIPOGSA-N -1 0 314.371 -0.655 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1nnc(C2CCOCC2)[nH]1 ZINC001365824999 983544699 /nfs/dbraw/zinc/54/46/99/983544699.db2.gz YBJLSWBXDXFINV-UHFFFAOYSA-N -1 0 321.345 -0.551 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](N(CCO)Cc2n[nH]c(=O)[n-]2)C1 ZINC001365883588 983578679 /nfs/dbraw/zinc/57/86/79/983578679.db2.gz SQNKPCZQZNHSOW-GRYCIOLGSA-N -1 0 323.397 -0.048 20 0 DBADRM CNC(=O)CCCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001365945488 983606465 /nfs/dbraw/zinc/60/64/65/983606465.db2.gz PIEDKRNCJZRNSR-SNVBAGLBSA-N -1 0 324.385 -0.493 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)CC(=O)N(C)C2CC2)c1[O-] ZINC001366523108 983846818 /nfs/dbraw/zinc/84/68/18/983846818.db2.gz YNWPMUALPQJSNH-UHFFFAOYSA-N -1 0 309.370 -0.294 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1CC12CC2)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001533026834 1014984266 /nfs/dbraw/zinc/98/42/66/1014984266.db2.gz YWWMQKMLJITOEA-MRVPVSSYSA-N -1 0 321.337 -0.387 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@]1(F)CCOC1 ZINC001366670293 983897774 /nfs/dbraw/zinc/89/77/74/983897774.db2.gz SVFAJLBAKCMFJP-ZANVPECISA-N -1 0 313.333 -0.281 20 0 DBADRM Cc1nonc1CC(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366709402 983937949 /nfs/dbraw/zinc/93/79/49/983937949.db2.gz NIICLDRPZHVUFI-SECBINFHSA-N -1 0 321.341 -0.617 20 0 DBADRM CCCN(CCNC(=O)c1ncccn1)Cc1n[nH]c(=O)[n-]1 ZINC001366726428 983946172 /nfs/dbraw/zinc/94/61/72/983946172.db2.gz ZAFIJTXQFLMTPE-UHFFFAOYSA-N -1 0 305.342 -0.058 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H]1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001366748023 983963488 /nfs/dbraw/zinc/96/34/88/983963488.db2.gz POILLZHMKDUHJR-ZJUUUORDSA-N -1 0 322.369 -0.898 20 0 DBADRM NC(=O)[C@H]1CC[C@@H]1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001366748019 983966282 /nfs/dbraw/zinc/96/62/82/983966282.db2.gz POILLZHMKDUHJR-UWVGGRQHSA-N -1 0 322.369 -0.898 20 0 DBADRM O=C(CN1CCCCC1=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366967142 984090007 /nfs/dbraw/zinc/09/00/07/984090007.db2.gz IDAFZWYJDQBNBH-UHFFFAOYSA-N -1 0 322.369 -0.929 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001367000666 984111419 /nfs/dbraw/zinc/11/14/19/984111419.db2.gz TYMSSNXXCYXNPL-UTLUCORTSA-N -1 0 322.369 -0.790 20 0 DBADRM COCC(=O)N[C@@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001367023161 984133032 /nfs/dbraw/zinc/13/30/32/984133032.db2.gz MIWGGOIZPLKEQS-SNVBAGLBSA-N -1 0 305.338 -0.641 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(=O)NCC3CC3)C2)c1[O-] ZINC001367027474 984137779 /nfs/dbraw/zinc/13/77/79/984137779.db2.gz CZRQNMOMYVZOLF-LLVKDONJSA-N -1 0 321.381 -0.246 20 0 DBADRM CCNC(=O)CN1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001367058086 984173462 /nfs/dbraw/zinc/17/34/62/984173462.db2.gz XCNJJOSLEHUWHM-SNVBAGLBSA-N -1 0 309.370 -0.294 20 0 DBADRM Cc1cc(CNC[C@@H](C)N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001367413026 984301791 /nfs/dbraw/zinc/30/17/91/984301791.db2.gz XIGJPXZRXPUBBE-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM Cc1cc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001367797720 984627200 /nfs/dbraw/zinc/62/72/00/984627200.db2.gz UINRNXIEVBHPFW-SECBINFHSA-N -1 0 305.342 -0.141 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CN1CCCCC1=O ZINC001367823308 984656475 /nfs/dbraw/zinc/65/64/75/984656475.db2.gz OJEKNVMHISGZCS-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1n[nH]c2c1CCC2 ZINC001367824109 984664765 /nfs/dbraw/zinc/66/47/65/984664765.db2.gz REEPMJQUXLSKJK-MRVPVSSYSA-N -1 0 319.369 -0.028 20 0 DBADRM CNC(=O)CN(C)C[C@@H](C)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001367849375 984698418 /nfs/dbraw/zinc/69/84/18/984698418.db2.gz ORHMBIWXUGJHMG-MRVPVSSYSA-N -1 0 321.337 -0.276 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](NCc2cnn(C)n2)C2CC2)c1[O-] ZINC001490650904 1015067316 /nfs/dbraw/zinc/06/73/16/1015067316.db2.gz ACLUYSYVOIWLAN-NSHDSACASA-N -1 0 319.369 -0.150 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001367938963 984808762 /nfs/dbraw/zinc/80/87/62/984808762.db2.gz JVPDMDSXUXCSDX-RKDXNWHRSA-N -1 0 309.326 -0.846 20 0 DBADRM O=C(CCn1cccn1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001367939576 984808866 /nfs/dbraw/zinc/80/88/66/984808866.db2.gz PPCRXYGIESMDHC-JTQLQIEISA-N -1 0 305.342 -0.512 20 0 DBADRM Cc1nocc1CN1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001367971995 984823536 /nfs/dbraw/zinc/82/35/36/984823536.db2.gz JGKPTWIVVAFGKV-JTQLQIEISA-N -1 0 322.325 -0.624 20 0 DBADRM Cc1nc(C)c(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)[nH]1 ZINC001368018036 984843784 /nfs/dbraw/zinc/84/37/84/984843784.db2.gz FBXCPUNEVAUVKE-UHFFFAOYSA-N -1 0 305.342 -0.098 20 0 DBADRM COc1ncc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC001368031742 984850509 /nfs/dbraw/zinc/85/05/09/984850509.db2.gz OHAIIJAVCTTZSD-UHFFFAOYSA-N -1 0 319.325 -0.639 20 0 DBADRM CCc1cc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)nn1C ZINC001368040584 984851333 /nfs/dbraw/zinc/85/13/33/984851333.db2.gz IPYJQPPOWUFQPK-UHFFFAOYSA-N -1 0 319.369 -0.142 20 0 DBADRM Cc1cc(OCC(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001368069531 984858866 /nfs/dbraw/zinc/85/88/66/984858866.db2.gz YUONJAPXRWUQPG-UHFFFAOYSA-N -1 0 322.325 -0.472 20 0 DBADRM Cn1cc(CC(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001368147635 984885099 /nfs/dbraw/zinc/88/50/99/984885099.db2.gz BTPOGWOWHDCUPV-CQSZACIVSA-N -1 0 319.369 -0.433 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccncc1 ZINC001368263610 984998541 /nfs/dbraw/zinc/99/85/41/984998541.db2.gz XZZDKSBAJYGZKC-AWEZNQCLSA-N -1 0 318.337 -0.728 20 0 DBADRM Cc1csc(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001368297603 985058932 /nfs/dbraw/zinc/05/89/32/985058932.db2.gz ZRKZPLBPYZWYCN-UHFFFAOYSA-N -1 0 323.378 -0.143 20 0 DBADRM CC[C@H]1CCC[C@@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368315790 985083796 /nfs/dbraw/zinc/08/37/96/985083796.db2.gz NHPHPHYROCEHKZ-QWRGUYRKSA-N -1 0 323.397 -0.001 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001368534553 985254036 /nfs/dbraw/zinc/25/40/36/985254036.db2.gz YIDUSDQPZDRXLH-ZYHUDNBSSA-N -1 0 311.386 -0.002 20 0 DBADRM CN(CCCN(C)C(=O)[C@]1(F)CCOC1)Cc1n[nH]c(=O)[n-]1 ZINC001368557959 985269875 /nfs/dbraw/zinc/26/98/75/985269875.db2.gz HYHRPJBRZZXJOE-ZDUSSCGKSA-N -1 0 315.349 -0.081 20 0 DBADRM CN(CCCN(C)C(=O)c1c[nH]c(=O)cn1)Cc1n[nH]c(=O)[n-]1 ZINC001368559033 985272226 /nfs/dbraw/zinc/27/22/26/985272226.db2.gz JCKNULBVALYLIS-UHFFFAOYSA-N -1 0 321.341 -0.812 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001368782071 985428802 /nfs/dbraw/zinc/42/88/02/985428802.db2.gz GYVZWZREFDSSAX-YIZRAAEISA-N -1 0 310.358 -0.899 20 0 DBADRM Cc1cnc(CN[C@@H](C)[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001368898925 985550892 /nfs/dbraw/zinc/55/08/92/985550892.db2.gz OQYNAHWPOYYKSN-IUCAKERBSA-N -1 0 324.341 -0.331 20 0 DBADRM C[C@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)N(C)CC(N)=O ZINC001368998915 985638264 /nfs/dbraw/zinc/63/82/64/985638264.db2.gz PHHYDJVANNHQOX-SSDOTTSWSA-N -1 0 307.310 -0.536 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CCCC1 ZINC001369014106 985651790 /nfs/dbraw/zinc/65/17/90/985651790.db2.gz NEGJDDSUDUKAIO-UHFFFAOYSA-N -1 0 309.370 -0.247 20 0 DBADRM C[C@@H](NC(=O)CCc1nnc[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369071094 985694572 /nfs/dbraw/zinc/69/45/72/985694572.db2.gz DCZLERZQECDILK-MRVPVSSYSA-N -1 0 320.357 -0.802 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001533356535 1015157786 /nfs/dbraw/zinc/15/77/86/1015157786.db2.gz WDUPWUMOUVHNFK-BNEREYBLSA-N -1 0 309.326 -0.866 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001596451582 1017148897 /nfs/dbraw/zinc/14/88/97/1017148897.db2.gz HVNXQAGBZYOVIL-ZETCQYMHSA-N -1 0 308.294 -0.641 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2ncccn2)c1[O-] ZINC001369322064 985883919 /nfs/dbraw/zinc/88/39/19/985883919.db2.gz NDQDQSQZRCMYRU-VIFPVBQESA-N -1 0 306.326 -0.906 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2conc2C)c1[O-] ZINC001369325171 985889116 /nfs/dbraw/zinc/88/91/16/985889116.db2.gz TYUCQRIYGGRDNM-JTQLQIEISA-N -1 0 309.326 -0.399 20 0 DBADRM Cc1ccc([C@H](C)C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)o1 ZINC001369361901 985973806 /nfs/dbraw/zinc/97/38/06/985973806.db2.gz LQIYKDPFUGMIIN-UWVGGRQHSA-N -1 0 323.353 -0.218 20 0 DBADRM CCNC(=O)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001596458273 1017150457 /nfs/dbraw/zinc/15/04/57/1017150457.db2.gz IEOZECMLSZCCOU-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC001369532925 986277021 /nfs/dbraw/zinc/27/70/21/986277021.db2.gz CRMISTFKRWHQCI-MRVPVSSYSA-N -1 0 324.341 -0.150 20 0 DBADRM C[C@H](CNC(=O)C(C)(F)F)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001369765509 986351774 /nfs/dbraw/zinc/35/17/74/986351774.db2.gz LZBOGMUYXUXFEG-RXMQYKEDSA-N -1 0 319.268 -0.485 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)c2cnon2)c1[O-] ZINC001369817477 986382524 /nfs/dbraw/zinc/38/25/24/986382524.db2.gz AJZZCSSSVABJCS-ZCFIWIBFSA-N -1 0 308.298 -0.303 20 0 DBADRM C[C@H](CNC(=O)C1=CCCC1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001369822260 986385763 /nfs/dbraw/zinc/38/57/63/986385763.db2.gz OLHRKENGHKQPPU-MRVPVSSYSA-N -1 0 321.337 -0.030 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)Cc2ncc[nH]2)c1[O-] ZINC001369848151 986404777 /nfs/dbraw/zinc/40/47/77/986404777.db2.gz WVIRYYBKJPBYDW-MRVPVSSYSA-N -1 0 320.353 -0.034 20 0 DBADRM CC(C)CC(=O)N(C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001369907055 986450631 /nfs/dbraw/zinc/45/06/31/986450631.db2.gz YZSYRNAWXNHKCC-MRVPVSSYSA-N -1 0 311.342 -0.094 20 0 DBADRM CCNC(=O)NC1(C(=O)NC[C@H](O)CC(=O)[O-])CCCC1 ZINC001596470710 1017151083 /nfs/dbraw/zinc/15/10/83/1017151083.db2.gz FJUFWFZPVVDYBN-SECBINFHSA-N -1 0 301.343 -0.430 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CCO)(NC(=O)[C@H]3C[C@@H]3C)C2)c1[O-] ZINC001369980718 986525542 /nfs/dbraw/zinc/52/55/42/986525542.db2.gz XZEOYQFNIUABNZ-WPRPVWTQSA-N -1 0 322.365 -0.227 20 0 DBADRM CCc1cc(=O)n2nc(NC(=O)c3cccc(=O)n3C)[n-]c2n1 ZINC001534148210 1015239011 /nfs/dbraw/zinc/23/90/11/1015239011.db2.gz GGWFOXCPGIXTFV-UHFFFAOYSA-N -1 0 314.305 -0.069 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)c1cc[nH]c1 ZINC001534185711 1015242109 /nfs/dbraw/zinc/24/21/09/1015242109.db2.gz TULBBUQQBCKBCL-QMMMGPOBSA-N -1 0 319.321 -0.638 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1C[C@H](NC(=O)C2CC2)C1 ZINC001370275196 986675625 /nfs/dbraw/zinc/67/56/25/986675625.db2.gz MRIZGGDDDBJMCK-XWEPSHTISA-N -1 0 309.326 -0.890 20 0 DBADRM Cc1ccn(CC(=O)NC[C@H]2C[C@H](NC(=O)c3cn[nH]n3)C2)n1 ZINC001370309767 986690589 /nfs/dbraw/zinc/69/05/89/986690589.db2.gz KYGWRPYCBPVVDL-XYPYZODXSA-N -1 0 317.353 -0.366 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@H](F)C(C)C)c1[O-] ZINC001370676690 986876150 /nfs/dbraw/zinc/87/61/50/986876150.db2.gz DSOMEQXCRYRXGE-RKDXNWHRSA-N -1 0 316.333 -0.375 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)C2=CCCC2)c1[O-] ZINC001370688519 986888752 /nfs/dbraw/zinc/88/87/52/986888752.db2.gz SZWVXKIINVJUNQ-SNVBAGLBSA-N -1 0 308.338 -0.259 20 0 DBADRM CCCCC(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001534680478 1015265828 /nfs/dbraw/zinc/26/58/28/1015265828.db2.gz AOLDXHXRGPNBTB-QMMMGPOBSA-N -1 0 309.326 -0.196 20 0 DBADRM O=C(Cc1ccccc1F)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001370791700 987008956 /nfs/dbraw/zinc/00/89/56/987008956.db2.gz QVVGVKUQTRWQNI-JTQLQIEISA-N -1 0 321.312 -0.607 20 0 DBADRM O=C(CCC1CC1)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001534739698 1015275383 /nfs/dbraw/zinc/27/53/83/1015275383.db2.gz FHLJCUKJBOLANQ-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM CCC(=O)NC[C@@H]1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001370964692 987090280 /nfs/dbraw/zinc/09/02/80/987090280.db2.gz SJAQVZZBKHMIRJ-RKDXNWHRSA-N -1 0 311.342 -0.500 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2ccnc(N3CCOCC3)n2)CCOC1 ZINC001594723534 987219160 /nfs/dbraw/zinc/21/91/60/987219160.db2.gz CYZMMAZKVYKRFE-CQSZACIVSA-N -1 0 322.321 -0.713 20 0 DBADRM CCNC(=O)CNc1ncnc(NCC(=O)NCC)c1C(=O)[O-] ZINC001596463836 1017152411 /nfs/dbraw/zinc/15/24/11/1017152411.db2.gz JMYCSVLBHBOKDQ-UHFFFAOYSA-N -1 0 324.341 -0.729 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)CNC(=O)C2CCC2)c1[O-] ZINC001491230605 1015301836 /nfs/dbraw/zinc/30/18/36/1015301836.db2.gz HZUIIYXXZJPHIB-UHFFFAOYSA-N -1 0 323.353 -0.814 20 0 DBADRM CCC1(C(=O)N[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001372038414 987623904 /nfs/dbraw/zinc/62/39/04/987623904.db2.gz HLWJZVBRJDSCKT-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM CC[C@H](F)C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001372041810 987624544 /nfs/dbraw/zinc/62/45/44/987624544.db2.gz PUZSMPZLXRGFQM-SFYZADRCSA-N -1 0 315.305 -0.846 20 0 DBADRM CCCC(=O)N1CCN(CCNC(=O)c2cnc[nH]c2=O)CC1 ZINC001372211845 987680248 /nfs/dbraw/zinc/68/02/48/987680248.db2.gz FSACIIQLYVDYLC-UHFFFAOYSA-N -1 0 321.381 -0.144 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1conc1C ZINC001372354381 987738507 /nfs/dbraw/zinc/73/85/07/987738507.db2.gz BDABTMTWGUZKSO-UHFFFAOYSA-N -1 0 322.325 -0.169 20 0 DBADRM CCN(CCNC(=O)Cc1cn(C)nc1C)Cc1n[nH]c(=O)[n-]1 ZINC001372365287 987741851 /nfs/dbraw/zinc/74/18/51/987741851.db2.gz WSQRRLGPKDWNJB-UHFFFAOYSA-N -1 0 321.385 -0.267 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001372514956 987789248 /nfs/dbraw/zinc/78/92/48/987789248.db2.gz PUZSMPZLXRGFQM-JGVFFNPUSA-N -1 0 315.305 -0.846 20 0 DBADRM C[C@@]1(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCC(=O)N1 ZINC001372656261 987838439 /nfs/dbraw/zinc/83/84/39/987838439.db2.gz UOKDBHCHBXDBTR-OTYXRUKQSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@@H](CNC(=O)C1CCC1)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001372757252 987864873 /nfs/dbraw/zinc/86/48/73/987864873.db2.gz XSZPUFIPQBFZKF-QMMMGPOBSA-N -1 0 323.353 -0.364 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001372771196 987871286 /nfs/dbraw/zinc/87/12/86/987871286.db2.gz NTGWMBWGJJLPNM-SVRRBLITSA-N -1 0 311.342 -0.817 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001372786089 987878604 /nfs/dbraw/zinc/87/86/04/987878604.db2.gz MAJMGHIEJMDNSI-BDAKNGLRSA-N -1 0 310.354 -0.234 20 0 DBADRM O=C(NCCNC(=O)C1(C(F)F)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001491308451 1015342924 /nfs/dbraw/zinc/34/29/24/1015342924.db2.gz KCDARMWALMKETK-UHFFFAOYSA-N -1 0 317.252 -0.826 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CC1(C)C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001372852891 987919223 /nfs/dbraw/zinc/91/92/23/987919223.db2.gz NVBFRUPZBCSSEL-WCBMZHEXSA-N -1 0 322.365 -0.234 20 0 DBADRM C[C@H](CNC(=O)C[C@@H](C)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001372925930 987970255 /nfs/dbraw/zinc/97/02/55/987970255.db2.gz NXPSEPUJFFWFCC-HTQZYQBOSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)C1CCC=CCC1 ZINC001491321575 1015350471 /nfs/dbraw/zinc/35/04/71/1015350471.db2.gz FCKDLOPOABQYKX-UHFFFAOYSA-N -1 0 323.353 -0.332 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CC(C)C1 ZINC001373011574 988036695 /nfs/dbraw/zinc/03/66/95/988036695.db2.gz GOGPUKKWIZCPTD-MGURRDGZSA-N -1 0 311.342 -0.644 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1CC1(C)C ZINC001373010536 988037452 /nfs/dbraw/zinc/03/74/52/988037452.db2.gz CSIOXPZGSDMEJG-YUMQZZPRSA-N -1 0 311.342 -0.644 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CC(C)C1 ZINC001373011575 988038595 /nfs/dbraw/zinc/03/85/95/988038595.db2.gz GOGPUKKWIZCPTD-QJAFJHJLSA-N -1 0 311.342 -0.644 20 0 DBADRM COC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001373048476 988063050 /nfs/dbraw/zinc/06/30/50/988063050.db2.gz WPVHDLHVLYEXAB-MXWKQRLJSA-N -1 0 309.370 -0.032 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001373308887 988218108 /nfs/dbraw/zinc/21/81/08/988218108.db2.gz CLJYMLMEOKVRMI-RNJXMRFFSA-N -1 0 309.326 -0.437 20 0 DBADRM C[C@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(C)C ZINC001373315375 988221321 /nfs/dbraw/zinc/22/13/21/988221321.db2.gz PUTZNIDXBBGELT-MRVPVSSYSA-N -1 0 313.358 -0.254 20 0 DBADRM CCOC(=O)[C@H](CC)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001596526345 1017153879 /nfs/dbraw/zinc/15/38/79/1017153879.db2.gz SRWKQUBAJWOCLG-BDAKNGLRSA-N -1 0 300.311 -0.671 20 0 DBADRM CCOC(=O)[C@H](CC(=O)NC[C@]1(C(=O)[O-])CCOC1)C(C)=O ZINC001596525326 1017153901 /nfs/dbraw/zinc/15/39/01/1017153901.db2.gz AFQRLVWSOBANSF-QMTHXVAHSA-N -1 0 315.322 -0.248 20 0 DBADRM O=C(CCc1cn[nH]n1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373380813 988292757 /nfs/dbraw/zinc/29/27/57/988292757.db2.gz LYUCKMWQEHMKAF-SNVBAGLBSA-N -1 0 320.357 -0.658 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@H]2COCCO2)c1[O-] ZINC001373402348 988316717 /nfs/dbraw/zinc/31/67/17/988316717.db2.gz VLKNGMGLNOINPA-SECBINFHSA-N -1 0 312.326 -0.973 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CC(=O)N(C)C(C)C)C2)c1[O-] ZINC001373420792 988335869 /nfs/dbraw/zinc/33/58/69/988335869.db2.gz RXHKYIMVZYKPDN-UHFFFAOYSA-N -1 0 309.370 -0.295 20 0 DBADRM CCO[C@H](C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001373508256 988411487 /nfs/dbraw/zinc/41/14/87/988411487.db2.gz NFGMIGMLIRYKHG-LBPRGKRZSA-N -1 0 309.370 -0.127 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373645533 988520539 /nfs/dbraw/zinc/52/05/39/988520539.db2.gz YQCMJURQALPXGR-SNVBAGLBSA-N -1 0 324.385 -0.637 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001596495839 1017154777 /nfs/dbraw/zinc/15/47/77/1017154777.db2.gz KZRVQFBNMVCEDO-JTQLQIEISA-N -1 0 321.399 -0.274 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)C1CC1 ZINC001374122445 988789042 /nfs/dbraw/zinc/78/90/42/988789042.db2.gz JLFHTNLNFUZQLF-MWLCHTKSSA-N -1 0 309.370 -0.127 20 0 DBADRM CCO[C@@H](C)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001374125459 988793878 /nfs/dbraw/zinc/79/38/78/988793878.db2.gz REBZAVRNTMJJDJ-UWVGGRQHSA-N -1 0 313.358 -0.748 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)NC[C@@]1(C(=O)[O-])CCOC1)C(C)=O ZINC001596525320 1017154939 /nfs/dbraw/zinc/15/49/39/1017154939.db2.gz AFQRLVWSOBANSF-HZMBPMFUSA-N -1 0 315.322 -0.248 20 0 DBADRM Cc1ncncc1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001374466942 988883265 /nfs/dbraw/zinc/88/32/65/988883265.db2.gz HBVHPYQCANERFZ-UHFFFAOYSA-N -1 0 305.342 -0.187 20 0 DBADRM CCc1ncsc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001597712771 988978536 /nfs/dbraw/zinc/97/85/36/988978536.db2.gz ZOKIPDYZXHPRRM-LURJTMIESA-N -1 0 301.324 -0.404 20 0 DBADRM CCc1ncsc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001597712772 988978679 /nfs/dbraw/zinc/97/86/79/988978679.db2.gz ZOKIPDYZXHPRRM-ZCFIWIBFSA-N -1 0 301.324 -0.404 20 0 DBADRM CCc1nn(C)cc1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001597718231 988992044 /nfs/dbraw/zinc/99/20/44/988992044.db2.gz LGMCAXWVGGABLX-UHFFFAOYSA-N -1 0 324.381 -0.159 20 0 DBADRM CCc1nn(C)cc1C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001597718845 988996714 /nfs/dbraw/zinc/99/67/14/988996714.db2.gz VULLYIQUFRKAAC-BDAKNGLRSA-N -1 0 309.322 -0.072 20 0 DBADRM CCc1nn(C)cc1C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001597718848 988997294 /nfs/dbraw/zinc/99/72/94/988997294.db2.gz VULLYIQUFRKAAC-DTWKUNHWSA-N -1 0 309.322 -0.072 20 0 DBADRM CCc1nn(C)cc1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597722563 988999649 /nfs/dbraw/zinc/99/96/49/988999649.db2.gz BMOPTTLJMGNLNU-NXEZZACHSA-N -1 0 320.349 -0.356 20 0 DBADRM CCOC(=O)[C@H](CC(=O)NC[C@@]1(C(=O)[O-])CCOC1)C(C)=O ZINC001596525327 1017155115 /nfs/dbraw/zinc/15/51/15/1017155115.db2.gz AFQRLVWSOBANSF-YGRLFVJLSA-N -1 0 315.322 -0.248 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001596510492 1017155193 /nfs/dbraw/zinc/15/51/93/1017155193.db2.gz OPUANSKEHGORAR-RKDXNWHRSA-N -1 0 315.322 -0.092 20 0 DBADRM C[C@@H]1CN(CN2C(=O)c3nccnc3C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599865662 989250974 /nfs/dbraw/zinc/25/09/74/989250974.db2.gz IGEMKHMABOTJAC-SFYZADRCSA-N -1 0 306.278 -0.796 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCC1CN(C(=O)C2CC2)C1 ZINC001374852002 989262756 /nfs/dbraw/zinc/26/27/56/989262756.db2.gz JVAZGCUMIMSUGQ-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cnn(C)c1N ZINC001375033339 989377366 /nfs/dbraw/zinc/37/73/66/989377366.db2.gz OZLZEAYEYMZCSV-SSDOTTSWSA-N -1 0 308.346 -0.924 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC001536985058 1015482906 /nfs/dbraw/zinc/48/29/06/1015482906.db2.gz YBIWDUUVCNSWIL-UHFFFAOYSA-N -1 0 306.282 -0.922 20 0 DBADRM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(C)C ZINC001375359001 989573546 /nfs/dbraw/zinc/57/35/46/989573546.db2.gz AAIRIGQBLUWCJY-CMPLNLGQSA-N -1 0 324.385 -0.639 20 0 DBADRM CC(=O)N1CCC[C@@](C)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001537215274 1015492084 /nfs/dbraw/zinc/49/20/84/1015492084.db2.gz OQSXHQIHVOMYKG-ZDUSSCGKSA-N -1 0 309.326 -0.339 20 0 DBADRM Cc1ccnc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001375417102 989592166 /nfs/dbraw/zinc/59/21/66/989592166.db2.gz PHTSYNLPXWSPTB-UHFFFAOYSA-N -1 0 303.326 -0.339 20 0 DBADRM O=C(CC1OCCCO1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001375414884 989592408 /nfs/dbraw/zinc/59/24/08/989592408.db2.gz HULXXQTXLHQNCS-UHFFFAOYSA-N -1 0 311.342 -0.598 20 0 DBADRM Cc1ncc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)c(C)n1 ZINC001375499472 989630816 /nfs/dbraw/zinc/63/08/16/989630816.db2.gz CHVWDBNMQNFSRS-UHFFFAOYSA-N -1 0 317.353 -0.031 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(CC(=O)NCC(C)C)C2)c1[O-] ZINC001375669399 989731610 /nfs/dbraw/zinc/73/16/10/989731610.db2.gz XNBAPXXIYKQOJD-UHFFFAOYSA-N -1 0 323.397 -0.048 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@]2(O)CCN(C(=O)C(F)F)C2)c1[O-] ZINC001537337446 1015510423 /nfs/dbraw/zinc/51/04/23/1015510423.db2.gz ISICOKZZIKBRFQ-LBPRGKRZSA-N -1 0 318.280 -0.618 20 0 DBADRM C[C@]1(NC(=O)C[C@@H]2COC(=O)C2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375819933 989811165 /nfs/dbraw/zinc/81/11/65/989811165.db2.gz JQCYUXUWVZXZPH-XPTSAGLGSA-N -1 0 323.353 -0.456 20 0 DBADRM C[C@]1(NC(=O)C[C@H]2COC(=O)C2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375819931 989811249 /nfs/dbraw/zinc/81/12/49/989811249.db2.gz JQCYUXUWVZXZPH-OTYXRUKQSA-N -1 0 323.353 -0.456 20 0 DBADRM Cc1ccoc1C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375992203 989834760 /nfs/dbraw/zinc/83/47/60/989834760.db2.gz DKVOKFMUQJJKSE-AWEZNQCLSA-N -1 0 321.337 -0.221 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cscn1 ZINC001376001709 989840087 /nfs/dbraw/zinc/84/00/87/989840087.db2.gz DYCJDHRPQKOKRB-LBPRGKRZSA-N -1 0 324.366 -0.666 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccns1 ZINC001376042431 989853904 /nfs/dbraw/zinc/85/39/04/989853904.db2.gz ZZRUUATWUWYDSZ-LBPRGKRZSA-N -1 0 324.366 -0.666 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376080779 989869654 /nfs/dbraw/zinc/86/96/54/989869654.db2.gz NKDUOEMPMHXXKU-RULNRJAQSA-N -1 0 309.370 -0.391 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)c1ccco1 ZINC001376142747 989909765 /nfs/dbraw/zinc/90/97/65/989909765.db2.gz XZJPEPLPAAAXOD-UHFFFAOYSA-N -1 0 321.293 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3nccs3)C2)c1[O-] ZINC001376167746 989929001 /nfs/dbraw/zinc/92/90/01/989929001.db2.gz NQCRNBKPHVNXPG-UHFFFAOYSA-N -1 0 323.378 -0.143 20 0 DBADRM CCn1[n-]nnc1=NC(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC001540138809 1015521129 /nfs/dbraw/zinc/52/11/29/1015521129.db2.gz RKFYYHZXXGBPBQ-UHFFFAOYSA-N -1 0 311.305 -0.087 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001376351695 990030813 /nfs/dbraw/zinc/03/08/13/990030813.db2.gz TUEGIIQBVUMVJK-IUCAKERBSA-N -1 0 311.342 -0.738 20 0 DBADRM CCN(CCCNC(=O)CCCc1nnn[n-]1)S(C)(=O)=O ZINC001542174246 1015530310 /nfs/dbraw/zinc/53/03/10/1015530310.db2.gz CYHXTLMSWJKEHD-UHFFFAOYSA-N -1 0 318.403 -0.690 20 0 DBADRM O=C(c1ccc2n[nH]c(=O)n2c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001542946456 1015534982 /nfs/dbraw/zinc/53/49/82/1015534982.db2.gz UGQHTNCMSGLBPC-QMMMGPOBSA-N -1 0 316.281 -0.838 20 0 DBADRM CCc1cnc(CN[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001491653645 1015548507 /nfs/dbraw/zinc/54/85/07/1015548507.db2.gz DSDCIAIHQTVLSU-MRVPVSSYSA-N -1 0 324.341 -0.466 20 0 DBADRM CC(C)CN1CCOC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001376675694 990260690 /nfs/dbraw/zinc/26/06/90/990260690.db2.gz OVGZYJJMBOOHQG-JTQLQIEISA-N -1 0 313.358 -0.838 20 0 DBADRM CCOC(=O)[C@H](CC)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001596526411 1017156645 /nfs/dbraw/zinc/15/66/45/1017156645.db2.gz SRWKQUBAJWOCLG-RKDXNWHRSA-N -1 0 300.311 -0.671 20 0 DBADRM O=C(Cn1ncc2ccccc2c1=O)NCc1n[nH]c(=O)[n-]1 ZINC001545329363 1015549860 /nfs/dbraw/zinc/54/98/60/1015549860.db2.gz HKODPXZPKDYUSC-UHFFFAOYSA-N -1 0 300.278 -0.463 20 0 DBADRM CCOC(=O)[C@@H](CO)NC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001596533979 1017156668 /nfs/dbraw/zinc/15/66/68/1017156668.db2.gz DKRUFAXMQFTXHS-SNVBAGLBSA-N -1 0 313.310 -0.598 20 0 DBADRM O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001545744672 1015552199 /nfs/dbraw/zinc/55/21/99/1015552199.db2.gz JHJSPCKULVFGII-GXSJLCMTSA-N -1 0 316.317 -0.067 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)c2cccc[n+]2[O-])ccc1[O-] ZINC001546343316 1015558450 /nfs/dbraw/zinc/55/84/50/1015558450.db2.gz MOCQAWKSFVVKLY-UHFFFAOYSA-N -1 0 309.303 -0.075 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)Cc2cnoc2)c1[O-] ZINC001491670315 1015560415 /nfs/dbraw/zinc/56/04/15/1015560415.db2.gz ZWAJOEQFVMKIOE-UHFFFAOYSA-N -1 0 307.310 -0.109 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1CC[C@H]1C(N)=O)Cc1n[nH]c(=O)[n-]1 ZINC001376966828 990403486 /nfs/dbraw/zinc/40/34/86/990403486.db2.gz QZAQHNRMTWXWBE-NXEZZACHSA-N -1 0 324.385 -0.698 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1CC[C@@H]1C(N)=O)Cc1n[nH]c(=O)[n-]1 ZINC001376966832 990403846 /nfs/dbraw/zinc/40/38/46/990403846.db2.gz QZAQHNRMTWXWBE-UWVGGRQHSA-N -1 0 324.385 -0.698 20 0 DBADRM CN(CCCN(C)C(=O)c1ccn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001377022272 990418752 /nfs/dbraw/zinc/41/87/52/990418752.db2.gz VLXDWOCPXMGXEV-UHFFFAOYSA-N -1 0 307.358 -0.162 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001377086855 990439590 /nfs/dbraw/zinc/43/95/90/990439590.db2.gz LKBNKJMQJULLGV-DTWKUNHWSA-N -1 0 313.333 -0.282 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)[C@H](C)c2nnnn2C)c1[O-] ZINC001377143379 990456539 /nfs/dbraw/zinc/45/65/39/990456539.db2.gz MUFRUNYKCUGVKZ-MRVPVSSYSA-N -1 0 308.346 -0.630 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)CC(=O)N(C)CC2CC2)c1[O-] ZINC001377145427 990456561 /nfs/dbraw/zinc/45/65/61/990456561.db2.gz WGWJLWVIVFPEJK-UHFFFAOYSA-N -1 0 323.397 -0.046 20 0 DBADRM CN(CCNC(=O)[C@H]1CCc2n[nH]cc2C1)Cc1n[nH]c(=O)[n-]1 ZINC001377251179 990503940 /nfs/dbraw/zinc/50/39/40/990503940.db2.gz PGTKLVISGWYZBW-VIFPVBQESA-N -1 0 319.369 -0.414 20 0 DBADRM O=C(C[C@H]1CCNC1=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001377398980 990573845 /nfs/dbraw/zinc/57/38/45/990573845.db2.gz NUOKZHPHWKDURW-NXEZZACHSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(COCC1CC1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001377435849 990598803 /nfs/dbraw/zinc/59/88/03/990598803.db2.gz QDXHLSVSSGETHC-NSHDSACASA-N -1 0 309.370 -0.125 20 0 DBADRM CC(=O)N1CC(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)C1 ZINC001377520773 990638792 /nfs/dbraw/zinc/63/87/92/990638792.db2.gz DDVYYKORLTWOSE-UHFFFAOYSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C(Cc1cc[nH]n1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001377519223 990639079 /nfs/dbraw/zinc/63/90/79/990639079.db2.gz UEXDSQRQEWEIMB-UHFFFAOYSA-N -1 0 305.342 -0.443 20 0 DBADRM CCOC(=O)[C@H](C[C@H]1CCCO1)N[C@@H](C)C(=O)NCC(=O)[O-] ZINC001596527549 1017157263 /nfs/dbraw/zinc/15/72/63/1017157263.db2.gz JASSBRYJFQFARV-AXFHLTTASA-N -1 0 316.354 -0.334 20 0 DBADRM CO[C@@H](C)CN1CC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001377899782 990782473 /nfs/dbraw/zinc/78/24/73/990782473.db2.gz RUKIPBLHJUNEMA-VIFPVBQESA-N -1 0 313.358 -0.695 20 0 DBADRM C[C@@H](CNC(=O)CCc1ccncn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001378053449 990839714 /nfs/dbraw/zinc/83/97/14/990839714.db2.gz XFOIYKGKZGYHKX-JTQLQIEISA-N -1 0 319.369 -0.130 20 0 DBADRM CCC(=O)N1CC[C@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001378490412 990989451 /nfs/dbraw/zinc/98/94/51/990989451.db2.gz UKHWWBBXECGJGU-VIFPVBQESA-N -1 0 318.337 -0.802 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378539429 991023099 /nfs/dbraw/zinc/02/30/99/991023099.db2.gz MWPRBUDLUFNHOR-WCBMZHEXSA-N -1 0 313.358 -0.892 20 0 DBADRM CC[C@H](OC)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001378637830 991077025 /nfs/dbraw/zinc/07/70/25/991077025.db2.gz DDZVDABFEHIIAP-ZJUUUORDSA-N -1 0 313.358 -0.748 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001378985734 991262075 /nfs/dbraw/zinc/26/20/75/991262075.db2.gz KRNGPOYMDQIMRF-DTWKUNHWSA-N -1 0 323.353 -0.500 20 0 DBADRM Cc1cc(CC(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001379031096 991287152 /nfs/dbraw/zinc/28/71/52/991287152.db2.gz FWNVMGXODXHYDY-UHFFFAOYSA-N -1 0 308.342 -0.060 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN[C@@H](C)c2ncccn2)c1[O-] ZINC001379184035 991393866 /nfs/dbraw/zinc/39/38/66/991393866.db2.gz CTIHGGYZHOKNMZ-UWVGGRQHSA-N -1 0 320.353 -0.345 20 0 DBADRM CC/C(C)=C\C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001491821922 1015640234 /nfs/dbraw/zinc/64/02/34/1015640234.db2.gz GGQLMQGGZBHZDZ-JGAIRUGNSA-N -1 0 321.337 -0.030 20 0 DBADRM CC[C@@H](C)C(=O)N(C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001379264797 991496341 /nfs/dbraw/zinc/49/63/41/991496341.db2.gz BHWUYWQXLZGYQL-SECBINFHSA-N -1 0 322.365 -0.185 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])C(C)=O ZINC001596526350 1017158394 /nfs/dbraw/zinc/15/83/94/1017158394.db2.gz MHVYGANJZQKNBW-UTLUCORTSA-N -1 0 301.295 -0.809 20 0 DBADRM CCOC(=O)[C@@H](CO)NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001596535149 1017158416 /nfs/dbraw/zinc/15/84/16/1017158416.db2.gz PJXCPZRZKILELE-SSDOTTSWSA-N -1 0 321.307 -0.511 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)CC(C)(C)O)C2)c1[O-] ZINC001379334411 991551695 /nfs/dbraw/zinc/55/16/95/991551695.db2.gz GXCHEWPCVWDDHS-UHFFFAOYSA-N -1 0 310.354 -0.132 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2nccn2C)c1[O-] ZINC001379405507 991638454 /nfs/dbraw/zinc/63/84/54/991638454.db2.gz VKNWRPQGBQNFHD-VIFPVBQESA-N -1 0 308.342 -0.962 20 0 DBADRM CCc1cccnc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001379434630 991663617 /nfs/dbraw/zinc/66/36/17/991663617.db2.gz NASBRXUQABQTGD-JTQLQIEISA-N -1 0 320.353 -0.652 20 0 DBADRM CC1(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)CC(F)(F)C1 ZINC001379501992 991737728 /nfs/dbraw/zinc/73/77/28/991737728.db2.gz BPZIAAIFEUFYNN-ZETCQYMHSA-N -1 0 319.312 -0.488 20 0 DBADRM C[C@]1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(C(=O)C2CCC2)C1 ZINC001379719977 991864887 /nfs/dbraw/zinc/86/48/87/991864887.db2.gz FHNSODFQFOMPAK-AWEZNQCLSA-N -1 0 323.353 -0.403 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001379731124 991869903 /nfs/dbraw/zinc/86/99/03/991869903.db2.gz BSPAMGFZARIVBS-WCBMZHEXSA-N -1 0 312.374 -0.639 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)CCC1 ZINC001596563462 1017159631 /nfs/dbraw/zinc/15/96/31/1017159631.db2.gz RQBNVGCYBYUKMT-NSHDSACASA-N -1 0 321.351 -0.365 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNCc2ccon2)c1[O-] ZINC001379776548 991903960 /nfs/dbraw/zinc/90/39/60/991903960.db2.gz ZESIHQRJNACZPB-JTQLQIEISA-N -1 0 309.326 -0.366 20 0 DBADRM C[C@]1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(C(=O)C2CC2)C1 ZINC001379779408 991907601 /nfs/dbraw/zinc/90/76/01/991907601.db2.gz DYCWFFIVCSKLNR-CQSZACIVSA-N -1 0 321.337 -0.339 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C)/C=C/C(=O)[O-] ZINC001596575592 1017159662 /nfs/dbraw/zinc/15/96/62/1017159662.db2.gz FOHCMZZJECIFHF-YJOJJWFDSA-N -1 0 320.367 -0.122 20 0 DBADRM COC[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001379912512 992023939 /nfs/dbraw/zinc/02/39/39/992023939.db2.gz PTOADOYQEJJYSL-ZJUUUORDSA-N -1 0 315.374 -0.956 20 0 DBADRM Cc1conc1C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001379980959 992083177 /nfs/dbraw/zinc/08/31/77/992083177.db2.gz RMBSEFXWLXDMOZ-VIFPVBQESA-N -1 0 324.341 -0.628 20 0 DBADRM CN(C)C(=O)CCCC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001380027322 992103428 /nfs/dbraw/zinc/10/34/28/992103428.db2.gz QXNHDAYDMGHFHE-JTQLQIEISA-N -1 0 324.385 -0.541 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001380067242 992120206 /nfs/dbraw/zinc/12/02/06/992120206.db2.gz MKVXGNMWIATLFE-JGVFFNPUSA-N -1 0 309.326 -0.942 20 0 DBADRM Cc1c(CC(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)cnn1C ZINC001380080137 992125988 /nfs/dbraw/zinc/12/59/88/992125988.db2.gz OFTFFMJASXGXNJ-UHFFFAOYSA-N -1 0 319.369 -0.467 20 0 DBADRM Cn1nccc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001549040482 1015692532 /nfs/dbraw/zinc/69/25/32/1015692532.db2.gz ROLWEEHQDOCMGA-JDVQERKKSA-N -1 0 306.322 -0.423 20 0 DBADRM CCCC(=O)NCC1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001380320975 992247137 /nfs/dbraw/zinc/24/71/37/992247137.db2.gz DKTIXXGQSPVAQQ-UHFFFAOYSA-N -1 0 309.326 -0.293 20 0 DBADRM CCOC(=O)C1(S(C)(=O)=O)CCN([C@H](C)C(=O)[O-])CC1 ZINC001596563425 1017161125 /nfs/dbraw/zinc/16/11/25/1017161125.db2.gz PXNNPMYFOZYVMD-SECBINFHSA-N -1 0 307.368 -0.098 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)F)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001380361225 992277449 /nfs/dbraw/zinc/27/74/49/992277449.db2.gz SCEWUHSDQHUETD-NTSWFWBYSA-N -1 0 315.305 -0.346 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)N2CCOCC2)C[C@H]1C1CC1 ZINC001549086560 1015703437 /nfs/dbraw/zinc/70/34/37/1015703437.db2.gz LDRVGAZEGWDQLV-QWRGUYRKSA-N -1 0 304.368 -0.394 20 0 DBADRM C[C@@H](NC(=O)CCCF)[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001380501894 992336840 /nfs/dbraw/zinc/33/68/40/992336840.db2.gz QXDPUUHPWSTLFY-HTQZYQBOSA-N -1 0 317.321 -0.552 20 0 DBADRM C[C@@H](NC(=O)CCCF)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001380501912 992337847 /nfs/dbraw/zinc/33/78/47/992337847.db2.gz QXDPUUHPWSTLFY-SFYZADRCSA-N -1 0 317.321 -0.552 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C[C@H]3CC[C@@H](C)O3)C2)c1[O-] ZINC001380589319 992420812 /nfs/dbraw/zinc/42/08/12/992420812.db2.gz XFZKDPXPSCOHEK-MWLCHTKSSA-N -1 0 324.381 -0.232 20 0 DBADRM C[C@@H](C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C(C)(F)F ZINC001380615470 992438566 /nfs/dbraw/zinc/43/85/66/992438566.db2.gz QLBHAUWMDROOQS-ZETCQYMHSA-N -1 0 319.312 -0.536 20 0 DBADRM C[C@H]1CN(C(=O)C2(C(=O)[O-])CC2)C[C@@H]1C(=O)N1CCOCC1 ZINC001549172408 1015708554 /nfs/dbraw/zinc/70/85/54/1015708554.db2.gz MDGKQAANADLJLI-QWRGUYRKSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C[C@@H]1C(=O)N1CCOCC1 ZINC001549172325 1015708801 /nfs/dbraw/zinc/70/88/01/1015708801.db2.gz KIAATDLPGXPOSI-KKOKHZNYSA-N -1 0 310.350 -0.340 20 0 DBADRM NC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)cn1 ZINC001549218522 1015710400 /nfs/dbraw/zinc/71/04/00/1015710400.db2.gz BNNQYISXXZKMAA-OTYXRUKQSA-N -1 0 305.290 -0.646 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549218691 1015711051 /nfs/dbraw/zinc/71/10/51/1015711051.db2.gz CNTRJWCQKRBJNH-SKDRFNHKSA-N -1 0 305.352 -0.631 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)CNC(=O)c1ccccn1)C2 ZINC001549218496 1015711528 /nfs/dbraw/zinc/71/15/28/1015711528.db2.gz BBUYGQSDTATAOD-BMIGLBTASA-N -1 0 319.317 -0.629 20 0 DBADRM O=C(N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC001380721808 992497561 /nfs/dbraw/zinc/49/75/61/992497561.db2.gz SVJQHYVLJOKLCU-CQSZACIVSA-N -1 0 309.370 -0.247 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)c1nccn3ccnc13)C2 ZINC001549223370 1015712915 /nfs/dbraw/zinc/71/29/15/1015712915.db2.gz OQGLZNAXZBZRAN-OTYXRUKQSA-N -1 0 302.290 -0.098 20 0 DBADRM Cc1n[nH]c(=O)c(C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)c1C ZINC001549229216 1015712965 /nfs/dbraw/zinc/71/29/65/1015712965.db2.gz JUEMQSVQCPRHIR-OTYXRUKQSA-N -1 0 307.306 -0.028 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cn1 ZINC001549219620 1015713570 /nfs/dbraw/zinc/71/35/70/1015713570.db2.gz CEHKMWPAHNSVNX-BONVTDFDSA-N -1 0 319.317 -0.386 20 0 DBADRM C[C@H](CNC(=O)CCCF)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001380869371 992566548 /nfs/dbraw/zinc/56/65/48/992566548.db2.gz XNKUDNRTFBXLFO-SSDOTTSWSA-N -1 0 315.305 -0.391 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCOC[C@@H]1CC(=O)[O-] ZINC001596615597 1017162602 /nfs/dbraw/zinc/16/26/02/1017162602.db2.gz AEKVNGJJAMSHEY-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM Cn1ccnc1[C@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCC(=O)N1C ZINC001549304793 1015720078 /nfs/dbraw/zinc/72/00/78/1015720078.db2.gz HNNQMLZYAOANNQ-FYLLDIAZSA-N -1 0 320.349 -0.081 20 0 DBADRM CN(CCCN(C)C(=O)c1cnsn1)Cc1n[nH]c(=O)[n-]1 ZINC001380948291 992602668 /nfs/dbraw/zinc/60/26/68/992602668.db2.gz LDZNVLSFVGZKCE-UHFFFAOYSA-N -1 0 311.371 -0.044 20 0 DBADRM Cn1nccc1[C@H]1[C@@H](NC(=O)[C@H](C(=O)[O-])C2CC2)CC(=O)N1C ZINC001549303245 1015720810 /nfs/dbraw/zinc/72/08/10/1015720810.db2.gz IUMWAWGWECAFDA-ZWKOPEQDSA-N -1 0 320.349 -0.081 20 0 DBADRM Cc1cnc2nc(C(=O)N3C[C@@H]4COC[C@@]4(C(=O)[O-])C3)nn2c1 ZINC001549306017 1015722353 /nfs/dbraw/zinc/72/23/53/1015722353.db2.gz NVUMYWFXWGDSRK-OTYXRUKQSA-N -1 0 317.305 -0.394 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)c1ccn3nnnc3c1)C2 ZINC001549305478 1015722558 /nfs/dbraw/zinc/72/25/58/1015722558.db2.gz JHMJDCKMSSBPCQ-TVQRCGJNSA-N -1 0 303.278 -0.703 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC001596594826 1017162690 /nfs/dbraw/zinc/16/26/90/1017162690.db2.gz NNPJXXLOMRIPRG-BBBLOLIVSA-N -1 0 303.311 -0.609 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001596593768 1017162695 /nfs/dbraw/zinc/16/26/95/1017162695.db2.gz AXLHAHQDOGYBHB-RKDXNWHRSA-N -1 0 319.310 -0.977 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001596595565 1017162758 /nfs/dbraw/zinc/16/27/58/1017162758.db2.gz UPYOIOHKMRZYIA-NEPJUHHUSA-N -1 0 324.333 -0.245 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001596594351 1017162806 /nfs/dbraw/zinc/16/28/06/1017162806.db2.gz HVEVMSJWHAPXDT-ZANVPECISA-N -1 0 303.311 -0.559 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381658483 992860454 /nfs/dbraw/zinc/86/04/54/992860454.db2.gz ZQKRKOMFZMPABR-SECBINFHSA-N -1 0 309.370 -0.391 20 0 DBADRM Cc1occc1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381666881 992864014 /nfs/dbraw/zinc/86/40/14/992864014.db2.gz DDCJMFJOVJZLAN-UHFFFAOYSA-N -1 0 321.337 -0.221 20 0 DBADRM CCCCN1CC(CCO)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001381691552 992869723 /nfs/dbraw/zinc/86/97/23/992869723.db2.gz YONDKRXIIAHFFN-UHFFFAOYSA-N -1 0 313.358 -0.958 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001381791294 992882897 /nfs/dbraw/zinc/88/28/97/992882897.db2.gz LQTKBSBNDKFKHY-DTWKUNHWSA-N -1 0 320.357 -0.701 20 0 DBADRM C[C@H](CN(C)C(=O)CC1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001381799973 992884240 /nfs/dbraw/zinc/88/42/40/992884240.db2.gz CCFQQUXAVLVNOZ-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@H](CN(C)C(=O)C(C)(C)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001381808031 992886726 /nfs/dbraw/zinc/88/67/26/992886726.db2.gz OAPFJPGJYPNWGK-ZCFIWIBFSA-N -1 0 315.305 -0.392 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)CC(=O)N2CCCC2)c1[O-] ZINC001492227226 1015743495 /nfs/dbraw/zinc/74/34/95/1015743495.db2.gz UFFGBAOLLYGEJY-UHFFFAOYSA-N -1 0 309.370 -0.292 20 0 DBADRM COCC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001381904495 992915846 /nfs/dbraw/zinc/91/58/46/992915846.db2.gz IOYAMDSASVVKJY-RTCCRHLQSA-N -1 0 323.397 -0.023 20 0 DBADRM CN(CCNC(=O)[C@H]1CCOC1)Cc1cc(=O)n2[n-]ccc2n1 ZINC001492213787 1015740697 /nfs/dbraw/zinc/74/06/97/1015740697.db2.gz WTAGHYLSHNAHHH-NSHDSACASA-N -1 0 319.365 -0.393 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)c2ncn(C)n2)c1[O-] ZINC001381969397 992943297 /nfs/dbraw/zinc/94/32/97/992943297.db2.gz LCBKBHLLOOAUJZ-ZETCQYMHSA-N -1 0 321.341 -0.557 20 0 DBADRM CCC(=O)N[C@@H](C)CN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001382081277 992983159 /nfs/dbraw/zinc/98/31/59/992983159.db2.gz XCMPGUUVWQCEKH-VIFPVBQESA-N -1 0 313.358 -0.157 20 0 DBADRM Cc1conc1CN[C@@H](C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001382154174 993009228 /nfs/dbraw/zinc/00/92/28/993009228.db2.gz UVQCIYXKWRQFCT-VIFPVBQESA-N -1 0 324.341 -0.378 20 0 DBADRM O=C(N[C@]1(CO)COc2ccccc2C1)c1n[nH]c(=O)[n-]c1=O ZINC001549652831 1015752871 /nfs/dbraw/zinc/75/28/71/1015752871.db2.gz DPNVOSOERHHDQX-CQSZACIVSA-N -1 0 318.289 -0.621 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001596607734 1017163206 /nfs/dbraw/zinc/16/32/06/1017163206.db2.gz SSKGQMXLZXHWII-JZYVYDRUSA-N -1 0 305.352 -0.078 20 0 DBADRM CS[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001382384420 993192488 /nfs/dbraw/zinc/19/24/88/993192488.db2.gz AGJMHKCWFGDQCP-HTQZYQBOSA-N -1 0 316.383 -0.618 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)CC(C)(F)F)c1[O-] ZINC001382388905 993196251 /nfs/dbraw/zinc/19/62/51/993196251.db2.gz HLCSCTWXTBDCDS-ZETCQYMHSA-N -1 0 320.296 -0.324 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC2(C)C)c1[O-] ZINC001382393744 993204764 /nfs/dbraw/zinc/20/47/64/993204764.db2.gz MTFOQYAVNZQCIP-BDAKNGLRSA-N -1 0 310.354 -0.323 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN[C@H](C(=O)[O-])c1ccnn1C ZINC001596615750 1017163448 /nfs/dbraw/zinc/16/34/48/1017163448.db2.gz FEWNAEATHGEVIR-LBPRGKRZSA-N -1 0 312.326 -0.843 20 0 DBADRM CCOc1cc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001492299586 1015768098 /nfs/dbraw/zinc/76/80/98/1015768098.db2.gz YDCDZXVVWGZNJV-UHFFFAOYSA-N -1 0 309.330 -0.506 20 0 DBADRM CC[C@@H](OC)C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001382442697 993262120 /nfs/dbraw/zinc/26/21/20/993262120.db2.gz CCOWRRGLHNHMIQ-VHSXEESVSA-N -1 0 315.374 -0.814 20 0 DBADRM CN(CCNC(=O)c1cnn(C)c1Cl)Cc1n[nH]c(=O)[n-]1 ZINC001492304063 1015771124 /nfs/dbraw/zinc/77/11/24/1015771124.db2.gz OORXKKRGWOKVCP-UHFFFAOYSA-N -1 0 313.749 -0.241 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)[C@H]1CC12CC2 ZINC001382468908 993299841 /nfs/dbraw/zinc/29/98/41/993299841.db2.gz KSLOMVGSDJTPPQ-VHSXEESVSA-N -1 0 309.370 -0.439 20 0 DBADRM CCC(=O)N1C[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001382709392 993405448 /nfs/dbraw/zinc/40/54/48/993405448.db2.gz WQJQSLMKQOGHAA-DTWKUNHWSA-N -1 0 323.353 -0.269 20 0 DBADRM C[C@H](CNC(=O)C1CCC1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001382886466 993435370 /nfs/dbraw/zinc/43/53/70/993435370.db2.gz GDDBHDTVMVSNPQ-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)c2cn(C)nn2)c1[O-] ZINC001382965934 993474620 /nfs/dbraw/zinc/47/46/20/993474620.db2.gz TYZQVUMZHXNORT-ZETCQYMHSA-N -1 0 321.341 -0.557 20 0 DBADRM CCOC(=O)N1CCC[C@H](C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1 ZINC001596650082 1017165384 /nfs/dbraw/zinc/16/53/84/1017165384.db2.gz HJQBRDQZYQRSRE-HBNTYKKESA-N -1 0 314.338 -0.099 20 0 DBADRM CCOC(=O)NCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001596659210 1017165451 /nfs/dbraw/zinc/16/54/51/1017165451.db2.gz MLHXRYUFUCPAFC-TVQRCGJNSA-N -1 0 300.311 -0.318 20 0 DBADRM CCN(C(=O)CCc1n[nH]c(=O)[n-]c1=O)[C@H](C)CNC(C)=O ZINC001383658014 993701174 /nfs/dbraw/zinc/70/11/74/993701174.db2.gz CCTYDRJFZFSBIV-MRVPVSSYSA-N -1 0 311.342 -0.412 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1C[C@H](C)[C@@H](C(=O)N2CCOCC2)C1 ZINC001550342903 1015802778 /nfs/dbraw/zinc/80/27/78/1015802778.db2.gz DXIQGBBAWTWDHY-DCAQKATOSA-N -1 0 314.338 -0.961 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cnc3cccnn31)C2 ZINC001550344213 1015802904 /nfs/dbraw/zinc/80/29/04/1015802904.db2.gz FGBIKDKQNHHRBL-XPTSAGLGSA-N -1 0 302.290 -0.098 20 0 DBADRM C[C@H](CN(C)C(=O)CCCF)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001383787007 993748332 /nfs/dbraw/zinc/74/83/32/993748332.db2.gz ATGQDGGXKPXWCW-SSDOTTSWSA-N -1 0 315.305 -0.391 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1(C)CC1 ZINC001492444738 1015806407 /nfs/dbraw/zinc/80/64/07/1015806407.db2.gz AUJBGDSGYOXQRF-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM CC(=O)N[C@@H](C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1)C(C)C ZINC001492824737 1015815993 /nfs/dbraw/zinc/81/59/93/1015815993.db2.gz JMVNITPGZRNTEZ-LLVKDONJSA-N -1 0 312.374 -0.781 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC[C@@H]1C(=O)[O-] ZINC001596696776 1017167611 /nfs/dbraw/zinc/16/76/11/1017167611.db2.gz RAWRWGAGYZGEME-SSDOTTSWSA-N -1 0 317.323 -0.258 20 0 DBADRM CCN(CCNC(=O)c1cc(C)ncn1)Cc1n[nH]c(=O)[n-]1 ZINC001492940384 1015828965 /nfs/dbraw/zinc/82/89/65/1015828965.db2.gz WQOYOEMZARYPNX-UHFFFAOYSA-N -1 0 305.342 -0.139 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]2CC23CC3)c1[O-] ZINC001384277109 994079027 /nfs/dbraw/zinc/07/90/27/994079027.db2.gz YJSZGMMAEQTYJU-UWVGGRQHSA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)C(C)C)c1[O-] ZINC001384284881 994082003 /nfs/dbraw/zinc/08/20/03/994082003.db2.gz FGJZHPWENDVLFJ-JTQLQIEISA-N -1 0 312.370 -0.029 20 0 DBADRM CCN(CCNC(=O)c1ccc2oc(=O)nc-2[n-]1)CC(=O)NC ZINC001493043748 1015842365 /nfs/dbraw/zinc/84/23/65/1015842365.db2.gz RNQRMIDVZXILDM-UHFFFAOYSA-N -1 0 321.337 -0.274 20 0 DBADRM CCN(CCNC(=O)[C@H]1CCCN1C(C)=O)Cc1n[nH]c(=O)[n-]1 ZINC001493061157 1015843500 /nfs/dbraw/zinc/84/35/00/1015843500.db2.gz AUTXHJPHNSELTI-LLVKDONJSA-N -1 0 324.385 -0.541 20 0 DBADRM CCN(CCNC(=O)Cn1ccnc1C)Cc1n[nH]c(=O)[n-]1 ZINC001493057957 1015844297 /nfs/dbraw/zinc/84/42/97/1015844297.db2.gz BOSZVCCQQLDNSC-UHFFFAOYSA-N -1 0 307.358 -0.346 20 0 DBADRM Cn1cc(CC(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001493083816 1015848143 /nfs/dbraw/zinc/84/81/43/1015848143.db2.gz JYZBLXCREWIFPV-LLVKDONJSA-N -1 0 319.369 -0.433 20 0 DBADRM Cn1cncc1CCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400684904 994297450 /nfs/dbraw/zinc/29/74/50/994297450.db2.gz PMXXDGWNAYVJMV-SNVBAGLBSA-N -1 0 319.369 -0.433 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NCc1nncn1C ZINC001400812710 994359873 /nfs/dbraw/zinc/35/98/73/994359873.db2.gz KGSGISBLWSCMES-SECBINFHSA-N -1 0 307.358 -0.150 20 0 DBADRM Cn1ccnc(NC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)c1=O ZINC001552378939 1015857555 /nfs/dbraw/zinc/85/75/55/1015857555.db2.gz SHPDQOHRRNSSQR-OQPBUACISA-N -1 0 308.294 -0.655 20 0 DBADRM NC(=O)c1cccc(NC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001552375702 1015857656 /nfs/dbraw/zinc/85/76/56/1015857656.db2.gz HVEKHSVJPNBESP-CLAHSXSESA-N -1 0 320.305 -0.255 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](NC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC001552396733 1015857728 /nfs/dbraw/zinc/85/77/28/1015857728.db2.gz AIDUAJOSXKWJIP-MAGOMRGPSA-N -1 0 311.338 -0.617 20 0 DBADRM Cc1c(CNC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)cnn1C ZINC001552401958 1015857859 /nfs/dbraw/zinc/85/78/59/1015857859.db2.gz INDDKXGADKXYSR-SMDDNHRTSA-N -1 0 308.338 -0.029 20 0 DBADRM CN1C[C@H](CNC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)CC1=O ZINC001552398346 1015858066 /nfs/dbraw/zinc/85/80/66/1015858066.db2.gz IQFBSHRHJKDJGT-RBZYPMLTSA-N -1 0 311.338 -0.793 20 0 DBADRM CCCCC(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001385249330 994423223 /nfs/dbraw/zinc/42/32/23/994423223.db2.gz FSYNFWZOPJSQFR-UHFFFAOYSA-N -1 0 311.342 -0.450 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)NCCc1cncnc1)C2 ZINC001552655338 1015866401 /nfs/dbraw/zinc/86/64/01/1015866401.db2.gz RQBSYNTVKFRYED-SMDDNHRTSA-N -1 0 306.322 -0.238 20 0 DBADRM CC(=O)NC1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001385446200 994494906 /nfs/dbraw/zinc/49/49/06/994494906.db2.gz XMUSCNYPXFBEAU-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001385546508 994526360 /nfs/dbraw/zinc/52/63/60/994526360.db2.gz DGDHJXVTNSOQNM-JGVFFNPUSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(C)=CC(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001493203751 1015868788 /nfs/dbraw/zinc/86/87/88/1015868788.db2.gz HSMHXUHNHZICBN-SNVBAGLBSA-N -1 0 320.349 -0.217 20 0 DBADRM COc1cc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)on1 ZINC001401362279 994538053 /nfs/dbraw/zinc/53/80/53/994538053.db2.gz JCYSZXJGAOIJSD-UHFFFAOYSA-N -1 0 310.314 -0.289 20 0 DBADRM CN(CCN(C)C(=O)C[C@@H]1CCCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001401375146 994546679 /nfs/dbraw/zinc/54/66/79/994546679.db2.gz DQBYHPFWIAFMPX-JTQLQIEISA-N -1 0 324.385 -0.541 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@H](NC(=O)C2CC2)C1 ZINC001385592401 994555222 /nfs/dbraw/zinc/55/52/22/994555222.db2.gz AZGYRCKNMPVLMY-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM CCOC1CC(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1 ZINC001596805434 1017169795 /nfs/dbraw/zinc/16/97/95/1017169795.db2.gz YQRAZAZJZLXRNG-RTBKNWGFSA-N -1 0 305.352 -0.488 20 0 DBADRM Cc1nc(CN(C)CCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001401426201 994567748 /nfs/dbraw/zinc/56/77/48/994567748.db2.gz IWESQLWDWDNHFC-UHFFFAOYSA-N -1 0 324.341 -0.424 20 0 DBADRM CC[C@H](C)C(=O)NC[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001385683196 994594237 /nfs/dbraw/zinc/59/42/37/994594237.db2.gz LOOLXPMPYNWEMK-IONNQARKSA-N -1 0 323.353 -0.047 20 0 DBADRM CCCNC(=O)CCC(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001385863637 994658726 /nfs/dbraw/zinc/65/87/26/994658726.db2.gz WFGMVEGYRRWSND-JTQLQIEISA-N -1 0 322.369 -0.558 20 0 DBADRM CCC(CC)C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001386182694 994789477 /nfs/dbraw/zinc/78/94/77/994789477.db2.gz WAMLEUHPRFUFSB-MRVPVSSYSA-N -1 0 313.358 -0.254 20 0 DBADRM C[C@H](CNC(=O)C1CC(C)C1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001386218160 994809729 /nfs/dbraw/zinc/80/97/29/994809729.db2.gz CASPDRUJMLFHIZ-QJAFJHJLSA-N -1 0 311.342 -0.644 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2cnn(C)n2)c1[O-] ZINC001386232509 994814827 /nfs/dbraw/zinc/81/48/27/994814827.db2.gz ZINDEKPFXQJACG-LURJTMIESA-N -1 0 307.314 -0.899 20 0 DBADRM CC/C(C)=C\C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001493335245 1015891922 /nfs/dbraw/zinc/89/19/22/1015891922.db2.gz GGQLMQGGZBHZDZ-XZLDQRQTSA-N -1 0 321.337 -0.030 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NC(=O)c1ncccc1O ZINC001386245513 994823000 /nfs/dbraw/zinc/82/30/00/994823000.db2.gz MSJPBTXDJCOSAO-YUMQZZPRSA-N -1 0 308.294 -0.870 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)n1cccn1 ZINC001401887791 994841968 /nfs/dbraw/zinc/84/19/68/994841968.db2.gz UGARFMASDQOBPD-UWVGGRQHSA-N -1 0 305.342 -0.342 20 0 DBADRM Cn1cncc1CCC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001401910238 994849317 /nfs/dbraw/zinc/84/93/17/994849317.db2.gz PXRKMDMOLDOTTG-LLVKDONJSA-N -1 0 319.369 -0.433 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC(C)(C)C1 ZINC001386399591 994886783 /nfs/dbraw/zinc/88/67/83/994886783.db2.gz GTEDICCOCUXXLM-SSDOTTSWSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)c1ccccc1 ZINC001386403159 994889084 /nfs/dbraw/zinc/88/90/84/994889084.db2.gz NCOAYMOCKSBNLP-MRVPVSSYSA-N -1 0 317.305 -0.169 20 0 DBADRM C[C@@H](CNC(=O)CCCF)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386428375 994899818 /nfs/dbraw/zinc/89/98/18/994899818.db2.gz SZSRMAZERLAFQD-LURJTMIESA-N -1 0 301.278 -0.733 20 0 DBADRM C[C@H](CNC(=O)C(C)(C)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386434355 994906101 /nfs/dbraw/zinc/90/61/01/994906101.db2.gz YDNSBPLYSCPFQK-SSDOTTSWSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386513109 994944451 /nfs/dbraw/zinc/94/44/51/994944451.db2.gz ZJBLUDCKHCXLNV-XLPZGREQSA-N -1 0 309.326 -0.437 20 0 DBADRM CCOC1(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001596789412 1017170863 /nfs/dbraw/zinc/17/08/63/1017170863.db2.gz CWOKLYJCKKGEGB-GHMZBOCLSA-N -1 0 301.339 -0.134 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)Cc2cnoc2)c1[O-] ZINC001386723265 995050928 /nfs/dbraw/zinc/05/09/28/995050928.db2.gz MNRFHJZTMUAPPR-SSDOTTSWSA-N -1 0 307.310 -0.111 20 0 DBADRM CCOC1(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CCOCC1 ZINC001596789417 1017171252 /nfs/dbraw/zinc/17/12/52/1017171252.db2.gz CWOKLYJCKKGEGB-WDEREUQCSA-N -1 0 301.339 -0.134 20 0 DBADRM CCC(=O)NCC(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001386830438 995114870 /nfs/dbraw/zinc/11/48/70/995114870.db2.gz XCJNAKPKUKPVBT-UHFFFAOYSA-N -1 0 311.342 -0.862 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)Cn2ccnc2C)c1[O-] ZINC001386849173 995128008 /nfs/dbraw/zinc/12/80/08/995128008.db2.gz DDMYFMYLAKAAHK-UHFFFAOYSA-N -1 0 320.353 -0.183 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H]1C1CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001386902014 995162260 /nfs/dbraw/zinc/16/22/60/995162260.db2.gz IIIWRLBLYQVFKH-VHSXEESVSA-N -1 0 323.353 -0.690 20 0 DBADRM CC(C)C(=O)N(C)CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001386901915 995163313 /nfs/dbraw/zinc/16/33/13/995163313.db2.gz ATMOJFISCLAHDT-UHFFFAOYSA-N -1 0 305.338 -0.133 20 0 DBADRM O=C(Cc1cnoc1)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001402515118 995171325 /nfs/dbraw/zinc/17/13/25/995171325.db2.gz MPKISKHMYPQPRC-SNVBAGLBSA-N -1 0 322.325 -0.942 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001402596557 995206207 /nfs/dbraw/zinc/20/62/07/995206207.db2.gz RYGUPMNUGHOHGL-JTQLQIEISA-N -1 0 310.358 -0.883 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001387024972 995219735 /nfs/dbraw/zinc/21/97/35/995219735.db2.gz KAURYIKJGHKBJR-VXNVDRBHSA-N -1 0 314.317 -0.532 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387026627 995220805 /nfs/dbraw/zinc/22/08/05/995220805.db2.gz QQCLFLVUMZANCB-NTSWFWBYSA-N -1 0 301.278 -0.735 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387026634 995220990 /nfs/dbraw/zinc/22/09/90/995220990.db2.gz QQCLFLVUMZANCB-RITPCOANSA-N -1 0 301.278 -0.735 20 0 DBADRM O=C(N[C@H]1Cc2cncn2C1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001556699741 1015932591 /nfs/dbraw/zinc/93/25/91/1015932591.db2.gz ZNRBLVGHSDZDPQ-QMMMGPOBSA-N -1 0 312.289 -0.013 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C(C)(C)C ZINC001387261625 995308116 /nfs/dbraw/zinc/30/81/16/995308116.db2.gz DYKVKQZGJXEEEI-UHFFFAOYSA-N -1 0 311.342 -0.093 20 0 DBADRM Cn1cc(-c2nn(C)cc2C(=O)Nn2c(=O)[n-][nH]c2=O)cn1 ZINC001556825043 1015934170 /nfs/dbraw/zinc/93/41/70/1015934170.db2.gz FTTAQHWUBGZKTI-UHFFFAOYSA-N -1 0 304.270 -0.793 20 0 DBADRM Cn1nc(-c2ccncc2)cc1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC001556825113 1015935920 /nfs/dbraw/zinc/93/59/20/1015935920.db2.gz JKFPDLVVHHIFSO-UHFFFAOYSA-N -1 0 301.266 -0.131 20 0 DBADRM O=C(CC1CC1)NCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001387453495 995356429 /nfs/dbraw/zinc/35/64/29/995356429.db2.gz AAFTZFTZCUIWGD-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(Nc1ccc(F)c(F)c1[O-])[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001556934992 1015938264 /nfs/dbraw/zinc/93/82/64/1015938264.db2.gz HCAZKCXQCIARDY-ZETCQYMHSA-N -1 0 320.273 -0.478 20 0 DBADRM CCC(=O)N[C@H](C)CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001387511229 995369635 /nfs/dbraw/zinc/36/96/35/995369635.db2.gz VUWKSJHRWDMXGC-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H](CNC(=O)C1CCC1)C1CC1 ZINC001493452075 1015938857 /nfs/dbraw/zinc/93/88/57/1015938857.db2.gz UZBOKESNVWSHQS-JTQLQIEISA-N -1 0 323.353 -0.500 20 0 DBADRM CC(=O)N1CCC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001387644681 995402693 /nfs/dbraw/zinc/40/26/93/995402693.db2.gz KGJNPHMYFNRXNW-VIFPVBQESA-N -1 0 309.326 -0.658 20 0 DBADRM C[C@H](CNC(=O)CCn1cncn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403097823 995405876 /nfs/dbraw/zinc/40/58/76/995405876.db2.gz HBILDUMSPOOMOW-SECBINFHSA-N -1 0 308.346 -0.871 20 0 DBADRM C[C@H](CNC(=O)c1cccc(=O)[nH]1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403118753 995414890 /nfs/dbraw/zinc/41/48/90/995414890.db2.gz PQDWDZVVLSHMCX-MRVPVSSYSA-N -1 0 306.326 -0.139 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2c[nH]nc2C)c1[O-] ZINC001387681146 995420821 /nfs/dbraw/zinc/42/08/21/995420821.db2.gz INXSGYGBHXPFQM-UHFFFAOYSA-N -1 0 306.326 -0.043 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)Cc2cncnc2)c1[O-] ZINC001387681958 995421228 /nfs/dbraw/zinc/42/12/28/995421228.db2.gz RVAWMKNPSFLOET-UHFFFAOYSA-N -1 0 318.337 -0.355 20 0 DBADRM C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403139966 995423228 /nfs/dbraw/zinc/42/32/28/995423228.db2.gz QHRFUUILDRYACR-VIFPVBQESA-N -1 0 320.353 -0.541 20 0 DBADRM C[C@H](CNC(=O)CN1CCCCC1=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403165906 995433024 /nfs/dbraw/zinc/43/30/24/995433024.db2.gz VQYIPTOKBGQPRE-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM CNC(=O)CCCC(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001387720730 995449826 /nfs/dbraw/zinc/44/98/26/995449826.db2.gz YEJKPLGHRYWGJR-UHFFFAOYSA-N -1 0 323.353 -0.719 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001387750456 995466734 /nfs/dbraw/zinc/46/67/34/995466734.db2.gz XGGVFIBOMHHROO-NXEZZACHSA-N -1 0 317.349 -0.133 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N(C)Cc2nc(=O)o[n-]2)C1=O ZINC001557206551 1015947864 /nfs/dbraw/zinc/94/78/64/1015947864.db2.gz RHBOUUAOLHYUDK-UHFFFAOYSA-N -1 0 308.294 -0.583 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)N(C)Cc1nc(=O)o[n-]1)c2=O ZINC001557205284 1015948306 /nfs/dbraw/zinc/94/83/06/1015948306.db2.gz ZWNOTYKPRAUSKF-UHFFFAOYSA-N -1 0 315.289 -0.049 20 0 DBADRM CC(C)[C@@H](C)C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001387820601 995497793 /nfs/dbraw/zinc/49/77/93/995497793.db2.gz DEDYMLMRFBMLCJ-MRVPVSSYSA-N -1 0 311.342 -0.692 20 0 DBADRM Cn1cnc(CCCNC(=O)CCCn2c(=O)[n-][nH]c2=O)n1 ZINC001557189863 1015948917 /nfs/dbraw/zinc/94/89/17/1015948917.db2.gz RBXPPGDJSUZDKP-UHFFFAOYSA-N -1 0 309.330 -0.653 20 0 DBADRM CC(F)(F)C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001387834331 995502518 /nfs/dbraw/zinc/50/25/18/995502518.db2.gz FVVVXEDZDQSQAM-UHFFFAOYSA-N -1 0 317.252 -0.874 20 0 DBADRM O=C(C[C@@H]1CCOC1)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001403386627 995503408 /nfs/dbraw/zinc/50/34/08/995503408.db2.gz LOHFJCAQDCKPSC-FIQHERPVSA-N -1 0 321.381 -0.269 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)cn1 ZINC001557579686 1015950899 /nfs/dbraw/zinc/95/08/99/1015950899.db2.gz WCIWJKJLHVKTML-SSDOTTSWSA-N -1 0 306.278 -0.205 20 0 DBADRM CC1CC(C(=O)N2CC(CNC(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC001387904540 995533918 /nfs/dbraw/zinc/53/39/18/995533918.db2.gz BFJJSNKMOQFCEI-UHFFFAOYSA-N -1 0 323.353 -0.690 20 0 DBADRM CC(=O)Nc1ccc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)nc1 ZINC001557577834 1015951969 /nfs/dbraw/zinc/95/19/69/1015951969.db2.gz SAMATAXQUMICHQ-ZETCQYMHSA-N -1 0 305.294 -0.033 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)N[C@@H](C)c2cnccn2)c1[O-] ZINC001403640539 995609591 /nfs/dbraw/zinc/60/95/91/995609591.db2.gz HJBPYBLOSZYGKC-WPRPVWTQSA-N -1 0 320.353 -0.345 20 0 DBADRM CCCc1occc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001403723699 995673072 /nfs/dbraw/zinc/67/30/72/995673072.db2.gz IBOTUMGYRCGOJC-VIFPVBQESA-N -1 0 323.353 -0.064 20 0 DBADRM CN(CCNC(=O)CCCC(=O)N(C)C)Cc1n[nH]c(=O)[n-]1 ZINC001403740180 995684303 /nfs/dbraw/zinc/68/43/03/995684303.db2.gz LQSGOMCXVJFHSH-UHFFFAOYSA-N -1 0 312.374 -0.683 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001403799705 995707724 /nfs/dbraw/zinc/70/77/24/995707724.db2.gz ZAVQLPGNPPWSKE-SNVBAGLBSA-N -1 0 310.358 -0.931 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001388607128 995715597 /nfs/dbraw/zinc/71/55/97/995715597.db2.gz CTRRXBXVRPQWKK-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)(C)OC(=O)NOCC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001558077913 1015969035 /nfs/dbraw/zinc/96/90/35/1015969035.db2.gz FSMHQMSXJRBUCZ-MRVPVSSYSA-N -1 0 312.330 -0.028 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403858462 995736242 /nfs/dbraw/zinc/73/62/42/995736242.db2.gz JMXDVLRLLNCVEG-GMTAPVOTSA-N -1 0 311.386 -0.937 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1cncs1 ZINC001403863388 995740804 /nfs/dbraw/zinc/74/08/04/995740804.db2.gz QFFJGVBUVLSNMS-UHFFFAOYSA-N -1 0 324.366 -0.009 20 0 DBADRM CCCn1cc(C(=O)NCCN(CC)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001403928056 995777760 /nfs/dbraw/zinc/77/77/60/995777760.db2.gz DDHRMIMFHNUFNR-UHFFFAOYSA-N -1 0 322.373 -0.236 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)C1CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001404046403 995808771 /nfs/dbraw/zinc/80/87/71/995808771.db2.gz XVOQFSJVBGICNK-JTQLQIEISA-N -1 0 323.353 -0.451 20 0 DBADRM CC(C)CC(=O)NCC1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001404109986 995820447 /nfs/dbraw/zinc/82/04/47/995820447.db2.gz KXMSAUWMKXHSCB-UHFFFAOYSA-N -1 0 323.353 -0.047 20 0 DBADRM CC(C)C(=O)NC[C@H](O)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001389068337 995824166 /nfs/dbraw/zinc/82/41/66/995824166.db2.gz YRJQOZRHXPYPSQ-QMMMGPOBSA-N -1 0 322.321 -0.209 20 0 DBADRM CCCN(CCNC(=O)[C@H]1CCCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001404134419 995824866 /nfs/dbraw/zinc/82/48/66/995824866.db2.gz YAMPQYVUXQSODB-SNVBAGLBSA-N -1 0 324.385 -0.493 20 0 DBADRM CC[C@H](C)CC(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001389242821 995908109 /nfs/dbraw/zinc/90/81/09/995908109.db2.gz TXUNTJQBGAZCGF-JGVFFNPUSA-N -1 0 311.342 -0.047 20 0 DBADRM CC(C)C[C@H](C)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389324716 995938400 /nfs/dbraw/zinc/93/84/00/995938400.db2.gz KIDLNNGHEBJZDH-QMMMGPOBSA-N -1 0 323.353 -0.094 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001389385709 995962316 /nfs/dbraw/zinc/96/23/16/995962316.db2.gz GZVIOLFFQHQZIH-QWRGUYRKSA-N -1 0 324.385 -0.494 20 0 DBADRM O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccc[nH]1 ZINC001389402215 995966810 /nfs/dbraw/zinc/96/68/10/995966810.db2.gz CMOVZEQYFMBRHO-UHFFFAOYSA-N -1 0 319.369 -0.614 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001389459623 995996819 /nfs/dbraw/zinc/99/68/19/995996819.db2.gz JWMGXNNTUKKTHA-IUCAKERBSA-N -1 0 310.358 -0.885 20 0 DBADRM O=C(CCC1CC1)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001389616663 996044365 /nfs/dbraw/zinc/04/43/65/996044365.db2.gz BRCYVIFTXRBLOU-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM CC(C)CC(=O)NCC1(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001389771951 996095160 /nfs/dbraw/zinc/09/51/60/996095160.db2.gz NPLRZMXVJGALGG-UHFFFAOYSA-N -1 0 322.365 -0.089 20 0 DBADRM CC1CC(C(=O)NC2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)C1 ZINC001389918539 996138979 /nfs/dbraw/zinc/13/89/79/996138979.db2.gz CMAAKGOITBLSAH-UHFFFAOYSA-N -1 0 323.353 -0.500 20 0 DBADRM CC[C@H](CNC(=O)C(C)(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001390174323 996197588 /nfs/dbraw/zinc/19/75/88/996197588.db2.gz ZAJVJZLFJAMIEC-RXMQYKEDSA-N -1 0 319.268 -0.437 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001596878397 1017175090 /nfs/dbraw/zinc/17/50/90/1017175090.db2.gz DQSKGFGHCVQGEB-SECBINFHSA-N -1 0 308.294 -0.003 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)c1cnn(C)n1 ZINC001390417840 996249466 /nfs/dbraw/zinc/24/94/66/996249466.db2.gz YZVQPMWDJDUNMT-QMMMGPOBSA-N -1 0 321.341 -0.509 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CSC ZINC001390577137 996309564 /nfs/dbraw/zinc/30/95/64/996309564.db2.gz BLQAXTZFFNQFBD-ZETCQYMHSA-N -1 0 317.371 -0.937 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CCC1 ZINC001390590882 996313915 /nfs/dbraw/zinc/31/39/15/996313915.db2.gz ZBQSXGJCMYYGBX-VIFPVBQESA-N -1 0 311.342 -0.500 20 0 DBADRM CN(CCNC(=O)c1cccn(C)c1=O)Cc1n[nH]c(=O)[n-]1 ZINC001390848464 996394557 /nfs/dbraw/zinc/39/45/57/996394557.db2.gz WFBCXEYSBJCXET-UHFFFAOYSA-N -1 0 306.326 -0.929 20 0 DBADRM CN(CCNC(=O)c1cccnc1N(C)C)Cc1n[nH]c(=O)[n-]1 ZINC001390865535 996398285 /nfs/dbraw/zinc/39/82/85/996398285.db2.gz WEKYUSHLBNFKQG-UHFFFAOYSA-N -1 0 319.369 -0.167 20 0 DBADRM CCN(CCNC(=O)CCc1cncnc1)Cc1n[nH]c(=O)[n-]1 ZINC001390935773 996413560 /nfs/dbraw/zinc/41/35/60/996413560.db2.gz FYFWXNVITUMGKF-UHFFFAOYSA-N -1 0 319.369 -0.129 20 0 DBADRM CC[C@H](OC)C(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[nH]1 ZINC001391055362 996430209 /nfs/dbraw/zinc/43/02/09/996430209.db2.gz XYHIIEUKGVIEDF-QWRGUYRKSA-N -1 0 311.386 -0.386 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)C1=CCOCC1 ZINC001391156979 996470321 /nfs/dbraw/zinc/47/03/21/996470321.db2.gz NUGISAMRXZPFEY-UHFFFAOYSA-N -1 0 307.354 -0.062 20 0 DBADRM Cn1cnc(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)n1 ZINC001391160499 996471801 /nfs/dbraw/zinc/47/18/01/996471801.db2.gz JLMJOTVEDFEQII-UHFFFAOYSA-N -1 0 306.330 -0.967 20 0 DBADRM Cn1ncc(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)n1 ZINC001391188695 996483368 /nfs/dbraw/zinc/48/33/68/996483368.db2.gz IBWBPBDADZHNND-UHFFFAOYSA-N -1 0 306.330 -0.967 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)[C@H]1CC12CC2 ZINC001391314558 996513166 /nfs/dbraw/zinc/51/31/66/996513166.db2.gz FIBNZOMNWNPOBM-RKDXNWHRSA-N -1 0 323.353 -0.642 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(Cc2nc(CS(C)(=O)=O)no2)C1 ZINC001593797972 996517775 /nfs/dbraw/zinc/51/77/75/996517775.db2.gz SOAUWWOIEIBNEQ-LLVKDONJSA-N -1 0 303.340 -0.089 20 0 DBADRM CCO[C@@H](C)C(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001391406355 996532875 /nfs/dbraw/zinc/53/28/75/996532875.db2.gz GRTJCQTZXOECMV-JTQLQIEISA-N -1 0 319.365 -0.252 20 0 DBADRM CC(C)[C@@H](CNC(=O)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001391520616 996564363 /nfs/dbraw/zinc/56/43/63/996564363.db2.gz KQUDSKLGMTXKMY-MRVPVSSYSA-N -1 0 309.326 -0.437 20 0 DBADRM COC[C@@H](C)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001391971043 996667735 /nfs/dbraw/zinc/66/77/35/996667735.db2.gz CVODHVQNQPDBSY-ZJUUUORDSA-N -1 0 313.358 -0.890 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001593867986 996673471 /nfs/dbraw/zinc/67/34/71/996673471.db2.gz BMEAJIRBQGMERT-RKDXNWHRSA-N -1 0 308.338 -0.468 20 0 DBADRM CN(CCN(C)C(=O)C[C@H]1CCN(C)C1=O)Cc1n[nH]c(=O)[n-]1 ZINC001392282772 996774525 /nfs/dbraw/zinc/77/45/25/996774525.db2.gz CEWVPXRRHDNXTG-SNVBAGLBSA-N -1 0 324.385 -0.731 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)[C@H]1C[C@@H]1C ZINC001404441253 996782759 /nfs/dbraw/zinc/78/27/59/996782759.db2.gz PKMQUSADQULKFF-CIUDSAMLSA-N -1 0 311.342 -0.692 20 0 DBADRM CN(CCN(C)C(=O)CCc1cn[nH]n1)Cc1n[nH]c(=O)[n-]1 ZINC001392304123 996784115 /nfs/dbraw/zinc/78/41/15/996784115.db2.gz ADKWCRAHCVPWPW-UHFFFAOYSA-N -1 0 308.346 -0.849 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Cc1n[nH]c(=O)[n-]1 ZINC001392307279 996788153 /nfs/dbraw/zinc/78/81/53/996788153.db2.gz NZCZQYYQMKWSGI-MXWKQRLJSA-N -1 0 309.370 -0.032 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CCO)CN(C(=O)CC3CC3)C2)c1[O-] ZINC001404535430 996810093 /nfs/dbraw/zinc/81/00/93/996810093.db2.gz VJQKSPGFDOFVMR-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1nc2ncc(C)cn2n1 ZINC001596878456 1017176550 /nfs/dbraw/zinc/17/65/50/1017176550.db2.gz VCKOMOVIXHKOJD-SECBINFHSA-N -1 0 307.310 -0.006 20 0 DBADRM CC(=O)N(C)CC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001404548363 996815977 /nfs/dbraw/zinc/81/59/77/996815977.db2.gz JKFDTQODMHLWGX-SNVBAGLBSA-N -1 0 313.358 -0.302 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H](C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001404631962 996832110 /nfs/dbraw/zinc/83/21/10/996832110.db2.gz LEWJJTKNXIOJRQ-HTQZYQBOSA-N -1 0 323.353 -0.094 20 0 DBADRM CC1(C)CN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1(C)C ZINC001593924595 996852889 /nfs/dbraw/zinc/85/28/89/996852889.db2.gz PKZAGEMCKUIAOQ-ZJUUUORDSA-N -1 0 312.366 -0.073 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001599075654 996857009 /nfs/dbraw/zinc/85/70/09/996857009.db2.gz MMVGRQPWYZYJMH-YGRLFVJLSA-N -1 0 324.337 -0.370 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001599075744 996858316 /nfs/dbraw/zinc/85/83/16/996858316.db2.gz RWQGVFQHFBHXNJ-ZDUSSCGKSA-N -1 0 306.278 -0.021 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cccnc2OCCO)C1 ZINC001599075914 996863092 /nfs/dbraw/zinc/86/30/92/996863092.db2.gz WNJLAHOPMPTTMG-CQSZACIVSA-N -1 0 310.306 -0.232 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cccn2c(=O)[nH]nc12 ZINC001596879011 1017176557 /nfs/dbraw/zinc/17/65/57/1017176557.db2.gz IUJHXDRSGMVQEO-SECBINFHSA-N -1 0 308.294 -0.003 20 0 DBADRM CC1(C)CN(C(=O)CN2CCO[C@@H](CC(=O)[O-])C2)CCO1 ZINC001593928780 996878557 /nfs/dbraw/zinc/87/85/57/996878557.db2.gz SHFHAOSTTFNPFC-NSHDSACASA-N -1 0 300.355 -0.201 20 0 DBADRM CC1(C)CN(C(=O)CS(=O)(=O)CCCC(=O)[O-])CCO1 ZINC001593928790 996879244 /nfs/dbraw/zinc/87/92/44/996879244.db2.gz SXCPQZDEUJAEEG-UHFFFAOYSA-N -1 0 307.368 -0.097 20 0 DBADRM CC1(C)CN(C(=O)CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])CCO1 ZINC001593928974 996882706 /nfs/dbraw/zinc/88/27/06/996882706.db2.gz ZSHPOYMHNZSKLC-ZYHUDNBSSA-N -1 0 300.355 -0.466 20 0 DBADRM CC(C)C(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001404845135 996883126 /nfs/dbraw/zinc/88/31/26/996883126.db2.gz VSABISHERLEEBC-ZKCHVHJHSA-N -1 0 309.326 -0.437 20 0 DBADRM CC1(C)CN(CC(=O)NCCC(=O)[O-])C[C@@]2(CCOC2)O1 ZINC001593940302 996945624 /nfs/dbraw/zinc/94/56/24/996945624.db2.gz IMTHQCSTRWIEBZ-CQSZACIVSA-N -1 0 300.355 -0.153 20 0 DBADRM CCCC(=O)NC[C@@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001392470763 996952949 /nfs/dbraw/zinc/95/29/49/996952949.db2.gz ACTURICNMPNFLJ-MRVPVSSYSA-N -1 0 311.342 -0.364 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001596879593 1017176836 /nfs/dbraw/zinc/17/68/36/1017176836.db2.gz OBCFAZXTSJXGPD-GMTAPVOTSA-N -1 0 312.326 -0.464 20 0 DBADRM C[C@H](CNCc1cscn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001392495196 996975532 /nfs/dbraw/zinc/97/55/32/996975532.db2.gz UHKQVHVEJOASQI-ZCFIWIBFSA-N -1 0 310.339 -0.353 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001392508261 996987577 /nfs/dbraw/zinc/98/75/77/996987577.db2.gz CHFVIUKVUGTKSL-HTQZYQBOSA-N -1 0 323.353 -0.047 20 0 DBADRM CCC(C)(C)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001392508510 996987869 /nfs/dbraw/zinc/98/78/69/996987869.db2.gz DYYCYNYJAGKVON-SSDOTTSWSA-N -1 0 311.342 -0.047 20 0 DBADRM CC1(C)CN(S(=O)(=O)CCCC(=O)[O-])CCN1CCO ZINC001593945137 996988013 /nfs/dbraw/zinc/98/80/13/996988013.db2.gz RWEBHMUHXVHMFJ-UHFFFAOYSA-N -1 0 308.400 -0.431 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001392527329 997003790 /nfs/dbraw/zinc/00/37/90/997003790.db2.gz PYRKYDSQFJETQD-IWSPIJDZSA-N -1 0 308.338 -0.624 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001405147026 997027794 /nfs/dbraw/zinc/02/77/94/997027794.db2.gz ZAPRFCAWKQJQFT-JTQLQIEISA-N -1 0 310.358 -0.979 20 0 DBADRM Cc1nn(C)cc1C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001392634783 997103597 /nfs/dbraw/zinc/10/35/97/997103597.db2.gz AROYOHSHMQLHKK-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM CCn1cc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001392641710 997106906 /nfs/dbraw/zinc/10/69/06/997106906.db2.gz PIOYZYCIULKMHQ-SECBINFHSA-N -1 0 307.358 -0.023 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C1=O ZINC001593969127 997129824 /nfs/dbraw/zinc/12/98/24/997129824.db2.gz YYBDKAVJXYGKLT-XAVMHZPKSA-N -1 0 309.322 -0.458 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)O1 ZINC001593972602 997142535 /nfs/dbraw/zinc/14/25/35/997142535.db2.gz BLYLZFGCPFOTST-CIUDSAMLSA-N -1 0 300.311 -0.767 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)O1 ZINC001593972605 997144449 /nfs/dbraw/zinc/14/44/49/997144449.db2.gz BLYLZFGCPFOTST-IWSPIJDZSA-N -1 0 300.311 -0.767 20 0 DBADRM C[C@H](CN(C)Cc1cncs1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001392697057 997146825 /nfs/dbraw/zinc/14/68/25/997146825.db2.gz ZHLQLRXDWQGKNJ-SSDOTTSWSA-N -1 0 324.366 -0.010 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)c2ccn(C)c2)c1[O-] ZINC001405307225 997179643 /nfs/dbraw/zinc/17/96/43/997179643.db2.gz ZYNFMMVZFCITEI-JTQLQIEISA-N -1 0 321.337 -0.717 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CC[C@@](OC)(C(=O)[O-])C2)C1=O ZINC001599194195 997184734 /nfs/dbraw/zinc/18/47/34/997184734.db2.gz DOZWMTIKANBHIP-OLZOCXBDSA-N -1 0 315.326 -0.924 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1nncn1C ZINC001599194537 997190958 /nfs/dbraw/zinc/19/09/58/997190958.db2.gz IRIPNMFJSSJOGY-SNVBAGLBSA-N -1 0 304.328 -0.931 20 0 DBADRM COC[C@]1(C)CN(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])CCO1 ZINC001599194769 997194808 /nfs/dbraw/zinc/19/48/08/997194808.db2.gz JWAXDRDZJSKNTM-MJVIPROJSA-N -1 0 316.354 -0.077 20 0 DBADRM CCC(=O)N[C@@H](CO)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001405329142 997196677 /nfs/dbraw/zinc/19/66/77/997196677.db2.gz VVZCZNAKCUUHMK-SSDOTTSWSA-N -1 0 308.294 -0.455 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001392867732 997279531 /nfs/dbraw/zinc/27/95/31/997279531.db2.gz DAJZVDGDKHOGQM-SECBINFHSA-N -1 0 324.385 -0.637 20 0 DBADRM Cc1cnc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC001392883951 997295706 /nfs/dbraw/zinc/29/57/06/997295706.db2.gz KNHUBCROYAHTJR-UHFFFAOYSA-N -1 0 303.326 -0.339 20 0 DBADRM CCOCCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C[C@H]21 ZINC001596897220 1017178616 /nfs/dbraw/zinc/17/86/16/1017178616.db2.gz NABVZMSCSATACO-VLLVSFFDSA-N -1 0 310.350 -0.293 20 0 DBADRM CS[C@H](C)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393234163 997469414 /nfs/dbraw/zinc/46/94/14/997469414.db2.gz KBKIQVJKBMNBLF-PRHODGIISA-N -1 0 315.399 -0.685 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](NCc2nnn(C)n2)C(C)C)c1[O-] ZINC001406007121 997486823 /nfs/dbraw/zinc/48/68/23/997486823.db2.gz FFQNFXKTBKXZHA-VIFPVBQESA-N -1 0 322.373 -0.509 20 0 DBADRM CCOC[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CC2)CCO1 ZINC001596897276 1017178711 /nfs/dbraw/zinc/17/87/11/1017178711.db2.gz OWIWCUVEBRQBHT-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM CC(=O)N1CC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](C)C1 ZINC001406199937 997563132 /nfs/dbraw/zinc/56/31/32/997563132.db2.gz JZNRKLRJVBNNIK-WCBMZHEXSA-N -1 0 311.342 -0.690 20 0 DBADRM CCOCCNC(=O)CN1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001596929365 1017179018 /nfs/dbraw/zinc/17/90/18/1017179018.db2.gz CDVVQSVEQVMISA-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM CC(C)(C)C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001393473658 997689268 /nfs/dbraw/zinc/68/92/68/997689268.db2.gz JUMFCJHNVZTESB-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)Cc2nc[nH]n2)c1[O-] ZINC001393482770 997692423 /nfs/dbraw/zinc/69/24/23/997692423.db2.gz TWUMYMBSSAVEJJ-QMMMGPOBSA-N -1 0 319.325 -0.885 20 0 DBADRM CC(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001406530344 997806189 /nfs/dbraw/zinc/80/61/89/997806189.db2.gz KXMSAUWMKXHSCB-DTORHVGOSA-N -1 0 323.353 -0.047 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001393707758 997813658 /nfs/dbraw/zinc/81/36/58/997813658.db2.gz VTLVMJRUEOYUOS-CQSZACIVSA-N -1 0 311.386 -0.001 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NCc2nnn(C)n2)c1[O-] ZINC001393938088 997894632 /nfs/dbraw/zinc/89/46/32/997894632.db2.gz VGSKNMBZBUSEEI-RNFRBKRXSA-N -1 0 308.346 -0.756 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NCc2nnn(C)n2)c1[O-] ZINC001393938090 997895049 /nfs/dbraw/zinc/89/50/49/997895049.db2.gz VGSKNMBZBUSEEI-RQJHMYQMSA-N -1 0 308.346 -0.756 20 0 DBADRM Cc1nn(C)c(F)c1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001406991537 997968709 /nfs/dbraw/zinc/96/87/09/997968709.db2.gz WLALQAYXBPBGSX-UHFFFAOYSA-N -1 0 323.332 -0.256 20 0 DBADRM COCCN(CCO)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001599237974 997980569 /nfs/dbraw/zinc/98/05/69/997980569.db2.gz GKACLBWNCNMTQM-UHFFFAOYSA-N -1 0 307.324 -0.084 20 0 DBADRM COC[C@H](OC)C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001394106283 997985035 /nfs/dbraw/zinc/98/50/35/997985035.db2.gz BKWDBXBWJTWAQY-BDAKNGLRSA-N -1 0 301.347 -0.892 20 0 DBADRM COCCN(CCNC(=O)C(C)(F)F)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001599238514 997992066 /nfs/dbraw/zinc/99/20/66/997992066.db2.gz MIXYGSDMAIAWEK-IUCAKERBSA-N -1 0 322.308 -0.047 20 0 DBADRM COCCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1ccc[nH]1 ZINC001599238934 998000217 /nfs/dbraw/zinc/00/02/17/998000217.db2.gz SJJYAFOXMWCEMR-MNOVXSKESA-N -1 0 323.349 -0.060 20 0 DBADRM COCCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1ccc[nH]1 ZINC001599238933 998000436 /nfs/dbraw/zinc/00/04/36/998000436.db2.gz SJJYAFOXMWCEMR-GHMZBOCLSA-N -1 0 323.349 -0.060 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)c1cscn1 ZINC001394149074 998008681 /nfs/dbraw/zinc/00/86/81/998008681.db2.gz MAOOMEPNXZJDKE-UHFFFAOYSA-N -1 0 324.366 -0.666 20 0 DBADRM CCC(=O)NCC(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001407112752 998021426 /nfs/dbraw/zinc/02/14/26/998021426.db2.gz CSIMZGCDHOIQBT-UHFFFAOYSA-N -1 0 324.385 -0.493 20 0 DBADRM C[C@@H](NC(=O)C[C@@H]1CCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001394216272 998035150 /nfs/dbraw/zinc/03/51/50/998035150.db2.gz HZJDPZRMHWKAFY-ZJUUUORDSA-N -1 0 309.370 -0.127 20 0 DBADRM CCOCCNC(=O)CN1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001596929476 1017181251 /nfs/dbraw/zinc/18/12/51/1017181251.db2.gz IXZDFRGIZBCZBC-GHMZBOCLSA-N -1 0 316.354 -0.523 20 0 DBADRM Cc1cocc1C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407352235 998123426 /nfs/dbraw/zinc/12/34/26/998123426.db2.gz AADZEKTZSTYTJH-AWEZNQCLSA-N -1 0 321.337 -0.221 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(CC[C@@H]3CCOC3)C2)c1[O-] ZINC001407405878 998175825 /nfs/dbraw/zinc/17/58/25/998175825.db2.gz HNPPULAJVXGAHE-LLVKDONJSA-N -1 0 324.381 -0.373 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CC12CCC2 ZINC001407426838 998193315 /nfs/dbraw/zinc/19/33/15/998193315.db2.gz BPERFPOUMUHOME-SECBINFHSA-N -1 0 307.354 -0.637 20 0 DBADRM CC(F)(F)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001407461563 998212296 /nfs/dbraw/zinc/21/22/96/998212296.db2.gz GZXFFGIKCJMZHY-SSDOTTSWSA-N -1 0 305.285 -0.518 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1CC2CC1(C(=O)[O-])C2 ZINC001596945397 1017181714 /nfs/dbraw/zinc/18/17/14/1017181714.db2.gz ZTRQFNLNXMEEND-UHFFFAOYSA-N -1 0 320.367 -0.982 20 0 DBADRM Cc1cnccc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001394583120 998236982 /nfs/dbraw/zinc/23/69/82/998236982.db2.gz HALSRQXHZQEMAV-SECBINFHSA-N -1 0 306.326 -0.906 20 0 DBADRM C[C@@H]1CCC[C@@H]1CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407541223 998257424 /nfs/dbraw/zinc/25/74/24/998257424.db2.gz YQYUPUDYFTUVAH-GHMZBOCLSA-N -1 0 323.397 -0.001 20 0 DBADRM Cc1cncc(CC(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001394609913 998281499 /nfs/dbraw/zinc/28/14/99/998281499.db2.gz SRGSXILPUGREQK-NSHDSACASA-N -1 0 320.353 -0.977 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001599150635 998292433 /nfs/dbraw/zinc/29/24/33/998292433.db2.gz WTCAQXZGNRGARQ-PWSUYJOCSA-N -1 0 324.399 -0.884 20 0 DBADRM CN(CCCN(C)C(=O)c1ccnn1C)Cc1n[nH]c(=O)[n-]1 ZINC001407896784 998417787 /nfs/dbraw/zinc/41/77/87/998417787.db2.gz RLQQQYKRNKAYGV-UHFFFAOYSA-N -1 0 307.358 -0.162 20 0 DBADRM CC[C@H](F)C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001407903002 998420238 /nfs/dbraw/zinc/42/02/38/998420238.db2.gz NMTKAMBVEUFSTA-RNJXMRFFSA-N -1 0 315.305 -0.799 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)c1cccnc1 ZINC001394765416 998470794 /nfs/dbraw/zinc/47/07/94/998470794.db2.gz AGRFFEAUNACYRE-LLVKDONJSA-N -1 0 320.353 -0.530 20 0 DBADRM CC(C)C(=O)NC[C@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001408076961 998481599 /nfs/dbraw/zinc/48/15/99/998481599.db2.gz FMAKSWQBYZKJBU-VIFPVBQESA-N -1 0 305.338 -0.087 20 0 DBADRM C[C@@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)[C@H](C)NC(=O)C1CC1 ZINC001394926697 998545147 /nfs/dbraw/zinc/54/51/47/998545147.db2.gz HVCSCYVPTHIQIY-SFYZADRCSA-N -1 0 323.353 -0.365 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1CC12CCC2 ZINC001408259440 998576666 /nfs/dbraw/zinc/57/66/66/998576666.db2.gz MBWSMDICWUZQGA-IUCAKERBSA-N -1 0 323.353 -0.500 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001408364018 998614554 /nfs/dbraw/zinc/61/45/54/998614554.db2.gz GDRMKMIUYLWAEU-JTQLQIEISA-N -1 0 323.353 -0.862 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)c1ccco1 ZINC001395134032 998615707 /nfs/dbraw/zinc/61/57/07/998615707.db2.gz PXIBAWDEFOBEMF-QMMMGPOBSA-N -1 0 323.309 -0.441 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)c1cc[nH]c1 ZINC001395136976 998617029 /nfs/dbraw/zinc/61/70/29/998617029.db2.gz VEHWAPHEADJWHL-MRVPVSSYSA-N -1 0 322.325 -0.706 20 0 DBADRM C[C@H](CCNC(=O)C1CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001408436301 998626360 /nfs/dbraw/zinc/62/63/60/998626360.db2.gz LHRNZEMMQGBMTR-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@@H](C)NC(=O)c2cn(C)nn2)c1[O-] ZINC001408456222 998632522 /nfs/dbraw/zinc/63/25/22/998632522.db2.gz YBVOYOJFRQMNCH-SSDOTTSWSA-N -1 0 321.341 -0.509 20 0 DBADRM CN(CCNC(=O)C1CCCC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001408510126 998644899 /nfs/dbraw/zinc/64/48/99/998644899.db2.gz UHDNJDDBSPUJAQ-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM CN(CCNC(=O)c1ccccc1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001408513846 998646594 /nfs/dbraw/zinc/64/65/94/998646594.db2.gz ORZYTTYPPRHKFD-UHFFFAOYSA-N -1 0 319.321 -0.422 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@@H]2C[C@H]2C2CC2)c1[O-] ZINC001395731022 998746924 /nfs/dbraw/zinc/74/69/24/998746924.db2.gz UMGFYBUXVAPNGI-OUAUKWLOSA-N -1 0 322.365 -0.323 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@H](C)C2CC2)c1[O-] ZINC001395732346 998748111 /nfs/dbraw/zinc/74/81/11/998748111.db2.gz YHCDBWCKNKWDCK-XCBNKYQSSA-N -1 0 310.354 -0.323 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001494393960 1016246045 /nfs/dbraw/zinc/24/60/45/1016246045.db2.gz XVKFIOFOZPNRMU-WYOJIJJFSA-N -1 0 323.353 -0.692 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001396002288 998815444 /nfs/dbraw/zinc/81/54/44/998815444.db2.gz TWXOVQWDDXXSNP-DTWKUNHWSA-N -1 0 316.333 -0.279 20 0 DBADRM CCN(C(=O)C(F)F)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001396313119 998843987 /nfs/dbraw/zinc/84/39/87/998843987.db2.gz CDDORSUDPYZNAC-ZCFIWIBFSA-N -1 0 321.284 -0.692 20 0 DBADRM CCC(=O)N(C)C[C@@H]1CCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001396459869 998866513 /nfs/dbraw/zinc/86/65/13/998866513.db2.gz JOLGUDWZMGJIIC-VIFPVBQESA-N -1 0 323.353 -0.315 20 0 DBADRM Cc1ccnn1CC(=O)NC[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001396522772 998872395 /nfs/dbraw/zinc/87/23/95/998872395.db2.gz KIGZSHMBOJDLRS-PHIMTYICSA-N -1 0 317.353 -0.366 20 0 DBADRM CC(C)C(=O)N[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001397046915 998951403 /nfs/dbraw/zinc/95/14/03/998951403.db2.gz IXHNDZMZPRFHRR-MRVPVSSYSA-N -1 0 309.326 -0.437 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](O)C(C)C)c1[O-] ZINC001397333103 999016337 /nfs/dbraw/zinc/01/63/37/999016337.db2.gz URYFRZXWZZYEIY-FYLLDIAZSA-N -1 0 322.365 -0.373 20 0 DBADRM C[C@@H](CNC(=O)CC(C)(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397371858 999023616 /nfs/dbraw/zinc/02/36/16/999023616.db2.gz ACAUPHALJCNOHY-ZETCQYMHSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@H](CNC(=O)c1ccoc1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001397375762 999024688 /nfs/dbraw/zinc/02/46/88/999024688.db2.gz NGRRWNFBRKPMPL-MRVPVSSYSA-N -1 0 320.305 -0.373 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2cnsn2)c1[O-] ZINC001397425942 999044066 /nfs/dbraw/zinc/04/40/66/999044066.db2.gz ZJXUWYMWLABFOS-YFKPBYRVSA-N -1 0 310.339 -0.176 20 0 DBADRM CC(C)[C@@H](C)C(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397513151 999069081 /nfs/dbraw/zinc/06/90/81/999069081.db2.gz FLBIOMUJCMJZGA-RKDXNWHRSA-N -1 0 313.358 -0.398 20 0 DBADRM C[C@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001397524361 999071399 /nfs/dbraw/zinc/07/13/99/999071399.db2.gz QJTWVGPDIXASNI-AEJSXWLSSA-N -1 0 317.349 -0.087 20 0 DBADRM CN(C[C@H]1CCN1C/C=C/Cl)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397558215 999080777 /nfs/dbraw/zinc/08/07/77/999080777.db2.gz BENUTJMPRKFVCF-HDMKULJXSA-N -1 0 315.761 -0.026 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)C[C@@H]1CCC(=O)N1 ZINC001397565507 999082191 /nfs/dbraw/zinc/08/21/91/999082191.db2.gz CRZMXBRDWFHABR-VHSXEESVSA-N -1 0 322.369 -0.788 20 0 DBADRM CC[C@H](F)C(=O)N[C@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397828195 999141115 /nfs/dbraw/zinc/14/11/15/999141115.db2.gz BOVLXBRWOOFCGM-SFYZADRCSA-N -1 0 317.321 -0.552 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CCCF ZINC001397824823 999142041 /nfs/dbraw/zinc/14/20/41/999142041.db2.gz UFACBFSKSXLRFZ-SSDOTTSWSA-N -1 0 315.305 -0.343 20 0 DBADRM Cc1nc[nH]c1C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001397890923 999162018 /nfs/dbraw/zinc/16/20/18/999162018.db2.gz ARSLGCLSWMTYRW-UHFFFAOYSA-N -1 0 306.326 -0.043 20 0 DBADRM C[C@H](CC(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001397981255 999188186 /nfs/dbraw/zinc/18/81/86/999188186.db2.gz ZMLKHMLBBQHIJG-MRVPVSSYSA-N -1 0 323.353 -0.093 20 0 DBADRM CC(=O)N(CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001398335189 999252920 /nfs/dbraw/zinc/25/29/20/999252920.db2.gz XGICBPFQHIUNEI-UHFFFAOYSA-N -1 0 309.326 -0.658 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001398356330 999257485 /nfs/dbraw/zinc/25/74/85/999257485.db2.gz OQIUOZGFOFMXEN-CMPLNLGQSA-N -1 0 323.397 -0.002 20 0 DBADRM CCC(C)(C)C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001398679003 999335678 /nfs/dbraw/zinc/33/56/78/999335678.db2.gz LTCRHHUMRMXORT-UHFFFAOYSA-N -1 0 309.326 -0.340 20 0 DBADRM CC[C@H](F)C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001398797022 999357918 /nfs/dbraw/zinc/35/79/18/999357918.db2.gz BWGYYOGPVGDDQS-ZETCQYMHSA-N -1 0 313.289 -0.781 20 0 DBADRM CC[C@H](CNC(=O)Cn1cccn1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001398884515 999370214 /nfs/dbraw/zinc/37/02/14/999370214.db2.gz NCDQZMMHXQPQHC-SNVBAGLBSA-N -1 0 320.353 -0.055 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H](CC)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001399030198 999397754 /nfs/dbraw/zinc/39/77/54/999397754.db2.gz KOTVABOPPGVDJF-BDAKNGLRSA-N -1 0 313.358 -0.254 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(C)F ZINC001399040482 999399864 /nfs/dbraw/zinc/39/98/64/999399864.db2.gz SLSCXEIEGWNIJH-ZETCQYMHSA-N -1 0 317.321 -0.552 20 0 DBADRM CC[C@H](CNC(=O)CCCF)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001399063032 999403333 /nfs/dbraw/zinc/40/33/33/999403333.db2.gz VUNNKZCIZHVGCI-MRVPVSSYSA-N -1 0 317.321 -0.550 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)Cc2c[nH]cn2)c1[O-] ZINC001399337551 999414170 /nfs/dbraw/zinc/41/41/70/999414170.db2.gz FSAOOVLLVPGPDD-QMMMGPOBSA-N -1 0 320.353 -0.128 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)c2cnn(C)n2)c1[O-] ZINC001399361569 999418600 /nfs/dbraw/zinc/41/86/00/999418600.db2.gz VVMNVNXVLAEEEV-ZETCQYMHSA-N -1 0 321.341 -0.652 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)c2cnn(C)n2)c1[O-] ZINC001399361557 999418859 /nfs/dbraw/zinc/41/88/59/999418859.db2.gz VVMNVNXVLAEEEV-SSDOTTSWSA-N -1 0 321.341 -0.652 20 0 DBADRM CN(CCNC(=O)CCc1nccn1C)Cc1n[nH]c(=O)[n-]1 ZINC001399537681 999443512 /nfs/dbraw/zinc/44/35/12/999443512.db2.gz JTESBTUJCRRBFC-UHFFFAOYSA-N -1 0 307.358 -0.575 20 0 DBADRM CN(CCNC(=O)C(C)(C)c1c[nH]cn1)Cc1n[nH]c(=O)[n-]1 ZINC001399648362 999457589 /nfs/dbraw/zinc/45/75/89/999457589.db2.gz ZHXHBPQVUBJVRF-UHFFFAOYSA-N -1 0 307.358 -0.241 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1CC12CC2)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001399734590 999471613 /nfs/dbraw/zinc/47/16/13/999471613.db2.gz TYJGVALBDVTMEX-SECBINFHSA-N -1 0 323.353 -0.594 20 0 DBADRM O=C(CC1(O)CCC1)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001399861512 999507710 /nfs/dbraw/zinc/50/77/10/999507710.db2.gz NSNKKZLDSHSPAX-JTQLQIEISA-N -1 0 309.370 -0.104 20 0 DBADRM CCC[C@H](C)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001399928435 999525916 /nfs/dbraw/zinc/52/59/16/999525916.db2.gz VXQPGSJQYSVWPQ-JGVFFNPUSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@H](CNC(=O)[C@H](C)C1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001400061174 999556460 /nfs/dbraw/zinc/55/64/60/999556460.db2.gz NUTALRBGLVOTFD-HTQZYQBOSA-N -1 0 311.342 -0.644 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)c1cnco1 ZINC001400264798 999596265 /nfs/dbraw/zinc/59/62/65/999596265.db2.gz JEGIIBFOBOHFOV-ZETCQYMHSA-N -1 0 321.293 -0.978 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001400269484 999596798 /nfs/dbraw/zinc/59/67/98/999596798.db2.gz LPKYLOKKJZATGQ-DJLDLDEBSA-N -1 0 311.342 -0.644 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001400268442 999597087 /nfs/dbraw/zinc/59/70/87/999597087.db2.gz KHOKSZRDCHVTBH-BQBZGAKWSA-N -1 0 303.294 -0.942 20 0 DBADRM CC(C)[C@@H](F)C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001400271160 999597788 /nfs/dbraw/zinc/59/77/88/999597788.db2.gz RCEYCPAVBTUSML-IONNQARKSA-N -1 0 317.321 -0.696 20 0 DBADRM CC[C@H](F)C(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001400273656 999597921 /nfs/dbraw/zinc/59/79/21/999597921.db2.gz ZEJPANFVSPRNHQ-BQBZGAKWSA-N -1 0 303.294 -0.942 20 0 DBADRM CC[C@@H](C)NC(=O)CN1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001400339644 999608509 /nfs/dbraw/zinc/60/85/09/999608509.db2.gz YUJPQRFUGDRGPQ-MRVPVSSYSA-N -1 0 309.370 -0.248 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CCCS(C)(=O)=O)C2)c1[O-] ZINC001400337233 999608609 /nfs/dbraw/zinc/60/86/09/999608609.db2.gz UYKHEPUQCQXHIO-UHFFFAOYSA-N -1 0 316.383 -0.728 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@@H]1CNC(=O)C1CC1 ZINC001400340293 999608945 /nfs/dbraw/zinc/60/89/45/999608945.db2.gz LLMAHCIDMANDJQ-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H](Cc1c[nH]cn1)C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001494603125 1016341350 /nfs/dbraw/zinc/34/13/50/1016341350.db2.gz MGZAOXGAQDQPBJ-VIFPVBQESA-N -1 0 319.369 -0.340 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)NCCSCCC(=O)[O-] ZINC001597224027 1017190453 /nfs/dbraw/zinc/19/04/53/1017190453.db2.gz HYDILFFKTYPGGS-MRVPVSSYSA-N -1 0 312.413 -0.362 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001597210077 1017188737 /nfs/dbraw/zinc/18/87/37/1017188737.db2.gz MXWYBPAXTOZYKX-MRVPVSSYSA-N -1 0 313.397 -0.406 20 0 DBADRM CCS(=O)(=O)CCCNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001597210118 1017189422 /nfs/dbraw/zinc/18/94/22/1017189422.db2.gz XVVXQRPLOZOTPP-OPRDCNLKSA-N -1 0 307.368 -0.194 20 0 DBADRM CCS(=O)(=O)CCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001597210144 1017189467 /nfs/dbraw/zinc/18/94/67/1017189467.db2.gz ZCGKITYMPFWVKG-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM C/C(=C\C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001494619592 1016351477 /nfs/dbraw/zinc/35/14/77/1016351477.db2.gz OPKTUHXRORAEDD-WVXIBAHESA-N -1 0 321.337 -0.126 20 0 DBADRM CCS(=O)(=O)CCN(C)[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001597209562 1017189598 /nfs/dbraw/zinc/18/95/98/1017189598.db2.gz KYODVCDMPWJSIF-LLVKDONJSA-N -1 0 320.411 -0.181 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001597224317 1017191364 /nfs/dbraw/zinc/19/13/64/1017191364.db2.gz RIPWKXIATJXBKZ-BDAKNGLRSA-N -1 0 308.356 -0.984 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](CCF)C(=O)[O-])C1 ZINC001597222041 1017191476 /nfs/dbraw/zinc/19/14/76/1017191476.db2.gz UNEXYEIXOAPJQV-ZJUUUORDSA-N -1 0 324.374 -0.023 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001597223989 1017191638 /nfs/dbraw/zinc/19/16/38/1017191638.db2.gz GEBIPZYNTQZWBP-DTWKUNHWSA-N -1 0 308.356 -0.984 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001597224320 1017190886 /nfs/dbraw/zinc/19/08/86/1017190886.db2.gz RIPWKXIATJXBKZ-RKDXNWHRSA-N -1 0 308.356 -0.984 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NCc1nc(C(=O)[O-])co1 ZINC001597216113 1017191091 /nfs/dbraw/zinc/19/10/91/1017191091.db2.gz VCMJZCIRMDQVEM-UHFFFAOYSA-N -1 0 305.312 -0.730 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC001597224146 1017191830 /nfs/dbraw/zinc/19/18/30/1017191830.db2.gz LJBKCAWBDUGPEU-SSDOTTSWSA-N -1 0 304.324 -0.078 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](COC)C(=O)[O-])C1 ZINC001597221466 1017191840 /nfs/dbraw/zinc/19/18/40/1017191840.db2.gz OYZDNCRXNQGUHC-NXEZZACHSA-N -1 0 322.383 -0.736 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)c1ccncc1C(=O)[O-] ZINC001597225303 1017192777 /nfs/dbraw/zinc/19/27/77/1017192777.db2.gz QBQNSNPUSPHDRT-UHFFFAOYSA-N -1 0 302.308 -0.124 20 0 DBADRM CCS(=O)(=O)NCC(=O)OCc1ccc(C(=O)[O-])cn1 ZINC001597225170 1017192801 /nfs/dbraw/zinc/19/28/01/1017192801.db2.gz MXXRWHYZOWVQDP-UHFFFAOYSA-N -1 0 302.308 -0.238 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001597225232 1017192884 /nfs/dbraw/zinc/19/28/84/1017192884.db2.gz OSKDEVDRJKMZHU-NSHDSACASA-N -1 0 308.356 -0.934 20 0 DBADRM CCS(=O)(=O)NCCN1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001597225675 1017192899 /nfs/dbraw/zinc/19/28/99/1017192899.db2.gz WGVNKVMWIBCOLL-LLVKDONJSA-N -1 0 305.356 -0.769 20 0 DBADRM CCS(=O)(=O)NCC(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001597225751 1017193698 /nfs/dbraw/zinc/19/36/98/1017193698.db2.gz VMIJVXMSBYCLSW-UHFFFAOYSA-N -1 0 316.339 -0.595 20 0 DBADRM C[C@H](CNC(=O)C1CC=CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001494654008 1016368824 /nfs/dbraw/zinc/36/88/24/1016368824.db2.gz ZNCZWTNQXCCSQW-MRVPVSSYSA-N -1 0 309.326 -0.724 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001597248733 1017194165 /nfs/dbraw/zinc/19/41/65/1017194165.db2.gz BIJFPYIMYPCECJ-FQEVSTJZSA-N -1 0 304.368 -0.806 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001591035812 1016375765 /nfs/dbraw/zinc/37/57/65/1016375765.db2.gz IWZGFIYMDSACQE-MWLCHTKSSA-N -1 0 322.383 -0.738 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001591036628 1016376849 /nfs/dbraw/zinc/37/68/49/1016376849.db2.gz XFYHSKHXZLBCNM-OPRDCNLKSA-N -1 0 306.384 -0.261 20 0 DBADRM CC(C)C1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001591058030 1016380979 /nfs/dbraw/zinc/38/09/79/1016380979.db2.gz KXUUJAMZWSMCIG-GHMZBOCLSA-N -1 0 324.377 -0.167 20 0 DBADRM CC(C)CC(=O)N(CCO)CCNc1ccnc(C(=O)[O-])n1 ZINC001591104412 1016383786 /nfs/dbraw/zinc/38/37/86/1016383786.db2.gz BELKZCHDZXZHCV-UHFFFAOYSA-N -1 0 310.354 -0.124 20 0 DBADRM CC/C(C)=C/C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001494708779 1016390306 /nfs/dbraw/zinc/39/03/06/1016390306.db2.gz MUQVDTLFBTYNCF-WHXYTISESA-N -1 0 311.342 -0.334 20 0 DBADRM CC(C)C[C@H](C(N)=O)C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001591124404 1016390524 /nfs/dbraw/zinc/39/05/24/1016390524.db2.gz PPYHIBNWJANZGC-MXWKQRLJSA-N -1 0 300.355 -0.013 20 0 DBADRM CC(C)CC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001591111948 1016392281 /nfs/dbraw/zinc/39/22/81/1016392281.db2.gz ZZXRKSRPSLLDAM-NXEZZACHSA-N -1 0 308.338 -0.113 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001591108925 1016392475 /nfs/dbraw/zinc/39/24/75/1016392475.db2.gz OKOOEBNAWHZYRR-WDEREUQCSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)CC(C)(C)CNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001591124236 1016392675 /nfs/dbraw/zinc/39/26/75/1016392675.db2.gz JYULSYPNGNGBMM-UHFFFAOYSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)C[C@@H](C(N)=O)C(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001591124465 1016393435 /nfs/dbraw/zinc/39/34/35/1016393435.db2.gz SOMBSIVSXNGPCQ-JTQLQIEISA-N -1 0 323.353 -0.150 20 0 DBADRM COC(=O)[C@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001408535995 1000212306 /nfs/dbraw/zinc/21/23/06/1000212306.db2.gz ICALWTDDALBJLG-BDAKNGLRSA-N -1 0 324.337 -0.579 20 0 DBADRM CC(C)C[C@H](C)NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001591138221 1016395634 /nfs/dbraw/zinc/39/56/34/1016395634.db2.gz SUICRULBOSHAND-AXFHLTTASA-N -1 0 300.355 -0.169 20 0 DBADRM CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CCc1nnn[n-]1 ZINC001591142760 1016396270 /nfs/dbraw/zinc/39/62/70/1016396270.db2.gz KGJGYKSOOJVUEX-UHFFFAOYSA-N -1 0 313.325 -0.029 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)Cc2ccn(C)n2)c1[O-] ZINC001494712936 1016398039 /nfs/dbraw/zinc/39/80/39/1016398039.db2.gz WAVSAHRIZNLAAP-MRVPVSSYSA-N -1 0 320.353 -0.366 20 0 DBADRM CC(C)CCC(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001408645342 1000257724 /nfs/dbraw/zinc/25/77/24/1000257724.db2.gz MXTBPDCZKZGJPN-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC001591151874 1016398551 /nfs/dbraw/zinc/39/85/51/1016398551.db2.gz JGQYGXUDNKWRJB-UHFFFAOYSA-N -1 0 304.270 -0.434 20 0 DBADRM CC(C)C[C@H](C)NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001591138223 1016398705 /nfs/dbraw/zinc/39/87/05/1016398705.db2.gz SUICRULBOSHAND-GARJFASQSA-N -1 0 300.355 -0.169 20 0 DBADRM CCn1cc(CC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001420875294 1000276138 /nfs/dbraw/zinc/27/61/38/1000276138.db2.gz OUTPVNIMODKUKC-LLVKDONJSA-N -1 0 319.369 -0.340 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)Cn1cncn1 ZINC001408731937 1000286020 /nfs/dbraw/zinc/28/60/20/1000286020.db2.gz PDVRXARIDBSMIW-UHFFFAOYSA-N -1 0 321.341 -0.706 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@@H](O)C[C@@]1(C)CO)C(=O)[O-] ZINC001591167663 1016400422 /nfs/dbraw/zinc/40/04/22/1016400422.db2.gz KLIAHSICEPSMEC-MJVIPROJSA-N -1 0 302.371 -0.581 20 0 DBADRM CN1C(=O)Cc2cc(C(=O)Cn3cnc(-c4nnn[n-]4)n3)ccc21 ZINC001591164896 1016400693 /nfs/dbraw/zinc/40/06/93/1016400693.db2.gz GTISLMFCBFUKJC-UHFFFAOYSA-N -1 0 324.304 -0.140 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)c1ccco1 ZINC001408775517 1000293348 /nfs/dbraw/zinc/29/33/48/1000293348.db2.gz FTLGMOUXUOQVOA-UHFFFAOYSA-N -1 0 323.309 -0.439 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@@H]1CC12CC2 ZINC001408773454 1000294157 /nfs/dbraw/zinc/29/41/57/1000294157.db2.gz GEDJGJRVWOREIM-QMMMGPOBSA-N -1 0 321.337 -0.339 20 0 DBADRM O=C(NC[C@@H]1CS(=O)(=O)c2ccccc21)c1n[nH]c(=O)[n-]1 ZINC001420964678 1000314932 /nfs/dbraw/zinc/31/49/32/1000314932.db2.gz URRJVZGYJKRVIP-SSDOTTSWSA-N -1 0 308.319 -0.189 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCN(C(=O)C(F)F)C1CC1 ZINC001408931629 1000320126 /nfs/dbraw/zinc/32/01/26/1000320126.db2.gz OPMUIYSAIYXZCN-UHFFFAOYSA-N -1 0 319.268 -0.938 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421006105 1000328757 /nfs/dbraw/zinc/32/87/57/1000328757.db2.gz KQZKIERPKCTTPR-JTQLQIEISA-N -1 0 324.385 -0.494 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)C1(C(N)=O)CCC1)C(=O)[O-] ZINC001591172515 1016405566 /nfs/dbraw/zinc/40/55/66/1016405566.db2.gz XTWOXAFMCOCGBT-SECBINFHSA-N -1 0 314.338 -0.199 20 0 DBADRM CC[C@@H](C)CC(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001409088060 1000359136 /nfs/dbraw/zinc/35/91/36/1000359136.db2.gz WLYGVKBEVPHXLF-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)N[C@@](C)(C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)C(C)C ZINC001421108401 1000365621 /nfs/dbraw/zinc/36/56/21/1000365621.db2.gz ZRQILJKKDQYPHX-CQSZACIVSA-N -1 0 324.385 -0.639 20 0 DBADRM O=C(CCC1CC1)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001409131561 1000376789 /nfs/dbraw/zinc/37/67/89/1000376789.db2.gz WDHGLXMPTZXWGD-UHFFFAOYSA-N -1 0 321.337 -0.339 20 0 DBADRM CCCCC(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001409166243 1000387855 /nfs/dbraw/zinc/38/78/55/1000387855.db2.gz YASASYRWLMQQFB-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CC[C@@H](CNC(=O)C(F)F)NC(=O)c1cnc([O-])n(C)c1=O ZINC001409217457 1000400483 /nfs/dbraw/zinc/40/04/83/1000400483.db2.gz DOFDQFDMEBGDQC-LURJTMIESA-N -1 0 318.280 -0.624 20 0 DBADRM CC[C@@H](CNC(=O)C(C)(C)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001409220156 1000401731 /nfs/dbraw/zinc/40/17/31/1000401731.db2.gz LTLOVDYOHTUOBI-ZETCQYMHSA-N -1 0 317.321 -0.552 20 0 DBADRM CC[C@@H](CNC(=O)[C@H](C)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001409252563 1000411312 /nfs/dbraw/zinc/41/13/12/1000411312.db2.gz PGJJXZHCZKZTQU-APPZFPTMSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@]1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(Cc2ccon2)C1 ZINC001421231590 1000417537 /nfs/dbraw/zinc/41/75/37/1000417537.db2.gz ZHKJYWFFWLCRFY-CYBMUJFWSA-N -1 0 322.325 -0.542 20 0 DBADRM O=C(CCCn1cccn1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421253528 1000422814 /nfs/dbraw/zinc/42/28/14/1000422814.db2.gz MZIJWFWODVHSEW-NSHDSACASA-N -1 0 319.369 -0.122 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1CC12CC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001409420144 1000454093 /nfs/dbraw/zinc/45/40/93/1000454093.db2.gz MTNUQFWOHYUGGU-DTWKUNHWSA-N -1 0 323.353 -0.500 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421345545 1000455883 /nfs/dbraw/zinc/45/58/83/1000455883.db2.gz CMAQMUGPXTZSBJ-XPTSAGLGSA-N -1 0 309.370 -0.391 20 0 DBADRM CCN(C(=O)Cc1ncc[nH]1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421354059 1000460679 /nfs/dbraw/zinc/46/06/79/1000460679.db2.gz RDOCCMCWHIMPIM-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)CC(=O)NC2CC2)c1[O-] ZINC001409553439 1000472200 /nfs/dbraw/zinc/47/22/00/1000472200.db2.gz SYULQKXMNXBUFD-MRVPVSSYSA-N -1 0 309.370 -0.248 20 0 DBADRM CN1C[C@@H]2CC[C@H](CC1=O)N2c1ccnc(-c2nnn[n-]2)n1 ZINC001591196712 1016418768 /nfs/dbraw/zinc/41/87/68/1016418768.db2.gz XMVIOLQCRZBZOT-BDAKNGLRSA-N -1 0 300.326 -0.144 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)C1=CCCC1 ZINC001409674491 1000505104 /nfs/dbraw/zinc/50/51/04/1000505104.db2.gz GLZMZJYGLUCJKK-VIFPVBQESA-N -1 0 323.353 -0.332 20 0 DBADRM CC(C)C[C@@]1(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)CCNC1=O ZINC001591191764 1016419338 /nfs/dbraw/zinc/41/93/38/1016419338.db2.gz FQKRSRGKMNEADT-ZDUSSCGKSA-N -1 0 309.326 -0.077 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CCO)CN(Cc3ccon3)C2)c1[O-] ZINC001409708258 1000517262 /nfs/dbraw/zinc/51/72/62/1000517262.db2.gz KSVWKVIZSPNAED-UHFFFAOYSA-N -1 0 321.337 -0.221 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)c2ccn(C)n2)c1[O-] ZINC001409732475 1000524546 /nfs/dbraw/zinc/52/45/46/1000524546.db2.gz XOKDXDXLDNQCQI-QMMMGPOBSA-N -1 0 320.353 -0.047 20 0 DBADRM CN(Cc1cc(=O)n2[n-]c(N)nc2n1)[C@@H]1CCCCNC1=O ZINC001421496367 1000533432 /nfs/dbraw/zinc/53/34/32/1000533432.db2.gz UKUFNKNNQZBMFW-SECBINFHSA-N -1 0 305.342 -0.900 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001409898213 1000546390 /nfs/dbraw/zinc/54/63/90/1000546390.db2.gz DDXJJPSZZDLXML-GZMMTYOYSA-N -1 0 324.385 -0.639 20 0 DBADRM CN(CCN(C)C(=O)C1CCC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001409914402 1000551778 /nfs/dbraw/zinc/55/17/78/1000551778.db2.gz ALDBLAXNEMOWQT-UHFFFAOYSA-N -1 0 322.365 -0.184 20 0 DBADRM NC(=O)CCCC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001421576318 1000553425 /nfs/dbraw/zinc/55/34/25/1000553425.db2.gz YJBZECQIRFDGES-AOOOYVTPSA-N -1 0 322.369 -0.944 20 0 DBADRM C[C@@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CN(CCF)C1 ZINC001409938261 1000556495 /nfs/dbraw/zinc/55/64/95/1000556495.db2.gz XYFIUIUDZYUUGF-MRVPVSSYSA-N -1 0 313.333 -0.379 20 0 DBADRM O=C(N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccoc1 ZINC001421605492 1000562040 /nfs/dbraw/zinc/56/20/40/1000562040.db2.gz WSDFDNGZNQLRAX-CQSZACIVSA-N -1 0 321.337 -0.140 20 0 DBADRM CNC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001421612528 1000564995 /nfs/dbraw/zinc/56/49/95/1000564995.db2.gz GZNCAOYFLOLHHZ-VIFPVBQESA-N -1 0 305.342 -0.900 20 0 DBADRM CC(=O)N[C@@H]1CCC[C@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001410022321 1000574880 /nfs/dbraw/zinc/57/48/80/1000574880.db2.gz BGGFPYGLBOOGKS-VHSXEESVSA-N -1 0 323.353 -0.364 20 0 DBADRM CCCC(=O)NC[C@@H](O)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001410026825 1000578799 /nfs/dbraw/zinc/57/87/99/1000578799.db2.gz IDOSDQNAHSUAHV-MRVPVSSYSA-N -1 0 322.321 -0.065 20 0 DBADRM CCOCC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001421661105 1000581451 /nfs/dbraw/zinc/58/14/51/1000581451.db2.gz APGMJQHUXNHCJL-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM CC(C)C[C@@H]1C(=O)NCCN1CCc1cn(CC(=O)[O-])nn1 ZINC001591197839 1016424761 /nfs/dbraw/zinc/42/47/61/1016424761.db2.gz QQHIBNFQZKLGDJ-GFCCVEGCSA-N -1 0 309.370 -0.248 20 0 DBADRM COC[C@H](C)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001421695373 1000595014 /nfs/dbraw/zinc/59/50/14/1000595014.db2.gz URHDGYNCHGHKJH-VHSXEESVSA-N -1 0 313.358 -0.890 20 0 DBADRM CCC(=O)NC[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)CCO1 ZINC001421778892 1000618833 /nfs/dbraw/zinc/61/88/33/1000618833.db2.gz OZZMSMCUBAPSTD-GFCCVEGCSA-N -1 0 319.365 -0.250 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001591207950 1016429578 /nfs/dbraw/zinc/42/95/78/1016429578.db2.gz NDYMSEOKZGJPJF-UHFFFAOYSA-N -1 0 316.368 -0.657 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001410151415 1000650997 /nfs/dbraw/zinc/65/09/97/1000650997.db2.gz NCGKAHRYUBKBGX-HTRCEHHLSA-N -1 0 311.342 -0.817 20 0 DBADRM CN(CCCN(C)C(=O)c1ncccn1)Cc1n[nH]c(=O)[n-]1 ZINC001421888629 1000657866 /nfs/dbraw/zinc/65/78/66/1000657866.db2.gz FWMWWNOZRSUXIF-UHFFFAOYSA-N -1 0 305.342 -0.106 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2cnn(C)n2)c1[O-] ZINC001410174927 1000663102 /nfs/dbraw/zinc/66/31/02/1000663102.db2.gz CXUKRGROZRURJO-ZCFIWIBFSA-N -1 0 307.314 -0.899 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@@H]2CCNC(=O)C2)c1[O-] ZINC001410190593 1000670202 /nfs/dbraw/zinc/67/02/02/1000670202.db2.gz MRNVAQWKRNZEPO-VXNVDRBHSA-N -1 0 323.353 -0.816 20 0 DBADRM O=C(COCC1CC1)N[C@H]1C[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001410190261 1000670552 /nfs/dbraw/zinc/67/05/52/1000670552.db2.gz DHBADMQQTSNVRZ-XYPYZODXSA-N -1 0 309.370 -0.079 20 0 DBADRM CNC(=O)CCCN(C)Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001591206915 1016426580 /nfs/dbraw/zinc/42/65/80/1016426580.db2.gz MUTOAXZPPOZTDL-UHFFFAOYSA-N -1 0 319.369 -0.248 20 0 DBADRM CNC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001591204345 1016427229 /nfs/dbraw/zinc/42/72/29/1016427229.db2.gz VWEWPKTYUYNBMS-SECBINFHSA-N -1 0 316.321 -0.220 20 0 DBADRM CC(C)C[C@H]1C(=O)NCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC001591206855 1016427937 /nfs/dbraw/zinc/42/79/37/1016427937.db2.gz ZUXIVOBYLVWOQG-JTQLQIEISA-N -1 0 321.399 -0.516 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591203919 1016428141 /nfs/dbraw/zinc/42/81/41/1016428141.db2.gz NWYBBWBMWCZIRI-JTQLQIEISA-N -1 0 316.321 -0.077 20 0 DBADRM CC(C)[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001410254048 1000697335 /nfs/dbraw/zinc/69/73/35/1000697335.db2.gz ZINUUVUSOVMMJA-HTQZYQBOSA-N -1 0 311.342 -0.191 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)CC1CC1 ZINC001410304894 1000714794 /nfs/dbraw/zinc/71/47/94/1000714794.db2.gz WNCMCUPHRVYTEB-QMMMGPOBSA-N -1 0 308.338 -0.480 20 0 DBADRM CN(CCN(C)C(=O)CCc1ccnn1C)Cc1n[nH]c(=O)[n-]1 ZINC001422163887 1000747760 /nfs/dbraw/zinc/74/77/60/1000747760.db2.gz SGHASCKNKLHJOV-UHFFFAOYSA-N -1 0 321.385 -0.233 20 0 DBADRM CC(C)CCC(=O)NCC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001591212567 1016433669 /nfs/dbraw/zinc/43/36/69/1016433669.db2.gz ZSNSJNLKTCTJNH-GXFFZTMASA-N -1 0 300.355 -0.025 20 0 DBADRM CN(CCN(C)C(=O)c1cccc(=O)n1C)Cc1n[nH]c(=O)[n-]1 ZINC001422207935 1000766422 /nfs/dbraw/zinc/76/64/22/1000766422.db2.gz OKNVCMGQSCVRHH-UHFFFAOYSA-N -1 0 320.353 -0.587 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC12CC2 ZINC001410471539 1000780544 /nfs/dbraw/zinc/78/05/44/1000780544.db2.gz OSADRFNCKMPSJH-NKWVEPMBSA-N -1 0 307.310 -0.683 20 0 DBADRM O=C(C[C@@H]1CCCCO1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001410582692 1000817516 /nfs/dbraw/zinc/81/75/16/1000817516.db2.gz ACLXHPDFLQIYKT-ZJUUUORDSA-N -1 0 313.358 -0.964 20 0 DBADRM COC(=O)[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001591235455 1016446755 /nfs/dbraw/zinc/44/67/55/1016446755.db2.gz TXDNAXUBJLLGKQ-SVRRBLITSA-N -1 0 320.313 -0.913 20 0 DBADRM Cc1cc(CC(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001422480924 1000881468 /nfs/dbraw/zinc/88/14/68/1000881468.db2.gz NNBHJICSPMVDLQ-MRVPVSSYSA-N -1 0 308.342 -0.014 20 0 DBADRM COC(=O)C1=C(C)O[C@H](Cn2cnc(-c3nnn[n-]3)cc2=O)C1 ZINC001591247756 1016449456 /nfs/dbraw/zinc/44/94/56/1016449456.db2.gz VANOPZSEMHPGBV-QMMMGPOBSA-N -1 0 318.293 -0.341 20 0 DBADRM COC(=O)C1(OC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001591246851 1016444641 /nfs/dbraw/zinc/44/46/41/1016444641.db2.gz UYCZTLJKPQHOAA-ZCFIWIBFSA-N -1 0 307.270 -0.732 20 0 DBADRM CC(C)CCNC(=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001591246720 1016445612 /nfs/dbraw/zinc/44/56/12/1016445612.db2.gz YWKBLKAVWXFIAE-JTQLQIEISA-N -1 0 323.353 -0.088 20 0 DBADRM C[C@H](CNC(=O)CCCn1cncn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422577821 1000917295 /nfs/dbraw/zinc/91/72/95/1000917295.db2.gz DXBPSKYHKDALJX-SNVBAGLBSA-N -1 0 322.373 -0.481 20 0 DBADRM Cc1cc(C(=O)NC2(CCO)CN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001422622470 1000941370 /nfs/dbraw/zinc/94/13/70/1000941370.db2.gz RDNHLLIVYCUZDJ-UHFFFAOYSA-N -1 0 321.337 -0.221 20 0 DBADRM COC(=O)C[C@H](C)CC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591259647 1016452692 /nfs/dbraw/zinc/45/26/92/1016452692.db2.gz YFZRARWJUGEQIQ-MRVPVSSYSA-N -1 0 322.329 -0.836 20 0 DBADRM CCc1nnsc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597741940 1017205704 /nfs/dbraw/zinc/20/57/04/1017205704.db2.gz TXLQADVYAFCGGJ-HTQZYQBOSA-N -1 0 324.362 -0.238 20 0 DBADRM COC(=O)CCCNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001591263772 1016459289 /nfs/dbraw/zinc/45/92/89/1016459289.db2.gz KPHSLENVYQTVEI-UHFFFAOYSA-N -1 0 320.309 -0.041 20 0 DBADRM CC(C)CCn1cc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])nn1 ZINC001591274565 1016460423 /nfs/dbraw/zinc/46/04/23/1016460423.db2.gz RJLZPLQKYFRWJB-LLVKDONJSA-N -1 0 323.353 -0.308 20 0 DBADRM Cc1ncc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1C ZINC001422869105 1001045175 /nfs/dbraw/zinc/04/51/75/1001045175.db2.gz AEOIUYVESSLBEC-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM Cc1nc(C(=O)N(C)C[C@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)co1 ZINC001411175351 1001061888 /nfs/dbraw/zinc/06/18/88/1001061888.db2.gz XYWBXICKTQRKMX-SECBINFHSA-N -1 0 324.341 -0.628 20 0 DBADRM Cc1nccc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001422929437 1001065760 /nfs/dbraw/zinc/06/57/60/1001065760.db2.gz SKDRMZNWEVAZGL-MRVPVSSYSA-N -1 0 305.342 -0.141 20 0 DBADRM CC(C)CC(=O)NC1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001411298515 1001090968 /nfs/dbraw/zinc/09/09/68/1001090968.db2.gz FLHJGVQDIRXBAX-UHFFFAOYSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H](NC(=O)CC1CC1)[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001411337200 1001100469 /nfs/dbraw/zinc/10/04/69/1001100469.db2.gz BQQKPWBGMASDCQ-HTQZYQBOSA-N -1 0 311.342 -0.501 20 0 DBADRM COC(=O)[C@@H](C)N(C)C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001591276992 1016466883 /nfs/dbraw/zinc/46/68/83/1016466883.db2.gz OONZPTZBNRNNMX-SSDOTTSWSA-N -1 0 320.309 -0.091 20 0 DBADRM Cn1cnc(CCNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1 ZINC001411423244 1001123266 /nfs/dbraw/zinc/12/32/66/1001123266.db2.gz OXGZFSLBUBNXEM-UHFFFAOYSA-N -1 0 301.310 -0.836 20 0 DBADRM O=C(COCC(F)F)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001423119428 1001125245 /nfs/dbraw/zinc/12/52/45/1001125245.db2.gz MCDOLQLMUNVWIJ-SSDOTTSWSA-N -1 0 305.285 -0.518 20 0 DBADRM COC(=O)[C@@H](CC1CC1)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001411442596 1001127703 /nfs/dbraw/zinc/12/77/03/1001127703.db2.gz CMEDKOCYIASWSJ-SNVBAGLBSA-N -1 0 319.321 -0.471 20 0 DBADRM C[C@@H](CNC(=O)C1CCC1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001411471440 1001130542 /nfs/dbraw/zinc/13/05/42/1001130542.db2.gz LVVHRUONZIABEK-VIFPVBQESA-N -1 0 322.365 -0.137 20 0 DBADRM COC(=O)c1cc(CNc2ccnc(-c3nnn[n-]3)n2)ccn1 ZINC001591289023 1016471818 /nfs/dbraw/zinc/47/18/18/1016471818.db2.gz MDIIHIHDVODCHQ-UHFFFAOYSA-N -1 0 312.293 -0.128 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)Cn2ccnc2)c1[O-] ZINC001411540563 1001154405 /nfs/dbraw/zinc/15/44/05/1001154405.db2.gz FFUNJHNAHBCCQF-VIFPVBQESA-N -1 0 320.353 -0.103 20 0 DBADRM C[C@@H](CNC(=O)C1(C)CC1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001411566438 1001165338 /nfs/dbraw/zinc/16/53/38/1001165338.db2.gz DIJSNZXAJMYJEV-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM CNS(=O)(=O)c1ccc(NC(=O)CCc2nnn[n-]2)cc1 ZINC001411604967 1001174726 /nfs/dbraw/zinc/17/47/26/1001174726.db2.gz VHGVKKYVPMVTOW-UHFFFAOYSA-N -1 0 310.339 -0.321 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C1=CCCC1 ZINC001411627203 1001182381 /nfs/dbraw/zinc/18/23/81/1001182381.db2.gz NXHOPMREYPWDKF-MRVPVSSYSA-N -1 0 321.337 -0.030 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N(C)C)c(CCO)c2=O)n1 ZINC001411638540 1001186570 /nfs/dbraw/zinc/18/65/70/1001186570.db2.gz ZDNQQEMLIKMCKU-UHFFFAOYSA-N -1 0 305.338 -0.191 20 0 DBADRM CC/C(C)=C\C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001494890520 1016470669 /nfs/dbraw/zinc/47/06/69/1016470669.db2.gz LBEPDVVUAIJPEG-TVSKSKRASA-N -1 0 309.326 -0.126 20 0 DBADRM CCOC(=O)CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001411705135 1001201078 /nfs/dbraw/zinc/20/10/78/1001201078.db2.gz YENMQGDXEHIFDK-UHFFFAOYSA-N -1 0 304.310 -0.242 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001591314829 1016474472 /nfs/dbraw/zinc/47/44/72/1016474472.db2.gz CFXXPOBORQDNNC-GHMZBOCLSA-N -1 0 317.305 -0.450 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001411744545 1001213652 /nfs/dbraw/zinc/21/36/52/1001213652.db2.gz ROQISVDFMNSHSC-UHFFFAOYSA-N -1 0 313.358 -0.110 20 0 DBADRM CO[C@@](C)(CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001591317079 1016474918 /nfs/dbraw/zinc/47/49/18/1016474918.db2.gz CRLOYIFYQXRCCV-SDBXPKJASA-N -1 0 320.357 -0.050 20 0 DBADRM CC(C)CN(CC(=O)[O-])CN1CC2(CCOCC2)[C@H](O)C1=O ZINC001591304936 1016475455 /nfs/dbraw/zinc/47/54/55/1016475455.db2.gz TZDCYWWJPMPHPJ-CYBMUJFWSA-N -1 0 314.382 -0.014 20 0 DBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CCS(=O)CC1 ZINC001411798076 1001228504 /nfs/dbraw/zinc/22/85/04/1001228504.db2.gz ZOUQOGZYRRLGTR-UHFFFAOYSA-N -1 0 323.378 -0.559 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1CCCS(=O)(=O)C1 ZINC001411796991 1001229260 /nfs/dbraw/zinc/22/92/60/1001229260.db2.gz QWMQXVXKMSDUBB-QMMMGPOBSA-N -1 0 318.355 -0.837 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H](C(F)(F)F)O1 ZINC001411837145 1001234883 /nfs/dbraw/zinc/23/48/83/1001234883.db2.gz OELCTVLPLZTJAH-NTSWFWBYSA-N -1 0 310.232 -0.133 20 0 DBADRM CCC[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)c1nnn[n-]1 ZINC001411851271 1001238318 /nfs/dbraw/zinc/23/83/18/1001238318.db2.gz BHOVGEKOQGUSAC-QMMMGPOBSA-N -1 0 309.330 -0.872 20 0 DBADRM O=C(N[C@H]1CCCC[C@H]1N1CCOCC1)c1n[nH]c(=O)[n-]c1=O ZINC001411886743 1001241082 /nfs/dbraw/zinc/24/10/82/1001241082.db2.gz FKCHWHWUKSPYBM-VHSXEESVSA-N -1 0 323.353 -0.344 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](OCc2ccccn2)C1 ZINC001411894997 1001242698 /nfs/dbraw/zinc/24/26/98/1001242698.db2.gz BBTOBCPRVPBFBH-NSHDSACASA-N -1 0 319.321 -0.098 20 0 DBADRM CCc1nc[nH]c1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001423309944 1001249118 /nfs/dbraw/zinc/24/91/18/1001249118.db2.gz BFIQESZKPRXQIJ-UHFFFAOYSA-N -1 0 305.342 -0.152 20 0 DBADRM CO[C@H](C)[C@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001591324084 1016477959 /nfs/dbraw/zinc/47/79/59/1016477959.db2.gz JFZRBRFHOFUPFJ-NKWVEPMBSA-N -1 0 309.330 -0.901 20 0 DBADRM CN(C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)[C@H]1CCNC1=O ZINC001411936688 1001256070 /nfs/dbraw/zinc/25/60/70/1001256070.db2.gz JSHSDKGYKRUMGB-JTQLQIEISA-N -1 0 317.305 -0.773 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)C1 ZINC001411941026 1001257111 /nfs/dbraw/zinc/25/71/11/1001257111.db2.gz XVJDKIDFRGLFKH-ZJUUUORDSA-N -1 0 307.358 -0.304 20 0 DBADRM O=C(C[C@H]1CCCS1(=O)=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001411939446 1001257403 /nfs/dbraw/zinc/25/74/03/1001257403.db2.gz REUWVLQOJKRWCV-VHSXEESVSA-N -1 0 313.383 -0.127 20 0 DBADRM O=C(C[C@H]1CCCS1(=O)=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001411939433 1001257825 /nfs/dbraw/zinc/25/78/25/1001257825.db2.gz REUWVLQOJKRWCV-NXEZZACHSA-N -1 0 313.383 -0.127 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)C1 ZINC001411941011 1001258058 /nfs/dbraw/zinc/25/80/58/1001258058.db2.gz XVJDKIDFRGLFKH-NXEZZACHSA-N -1 0 307.358 -0.304 20 0 DBADRM C[C@H](CN(C)C(=O)CNc1ccccc1C(N)=O)c1nnn[n-]1 ZINC001411988867 1001270007 /nfs/dbraw/zinc/27/00/07/1001270007.db2.gz GTAWKZMZYYAWBB-SECBINFHSA-N -1 0 317.353 -0.027 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1conc1C1CC1 ZINC001412030848 1001282933 /nfs/dbraw/zinc/28/29/33/1001282933.db2.gz RWWZMCKNXQHMEK-UHFFFAOYSA-N -1 0 301.324 -0.252 20 0 DBADRM O=C(c1nc[n-]c(=O)c1Br)N1C[C@@H](O)C[C@H]1CO ZINC001412031501 1001283171 /nfs/dbraw/zinc/28/31/71/1001283171.db2.gz QDTGRHSTNTUHHY-WDSKDSINSA-N -1 0 318.127 -0.488 20 0 DBADRM O=C(NCC1OCCCO1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001412038445 1001284785 /nfs/dbraw/zinc/28/47/85/1001284785.db2.gz DDMNYFOPNIUVBW-UHFFFAOYSA-N -1 0 320.305 -0.241 20 0 DBADRM COC(=O)C[C@@]1(NC(=O)CCCc2nnn[n-]2)CCCOC1 ZINC001412041248 1001285931 /nfs/dbraw/zinc/28/59/31/1001285931.db2.gz HTKXHHKEOXDHMX-ZDUSSCGKSA-N -1 0 311.342 -0.249 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)CCC1 ZINC001412053946 1001288607 /nfs/dbraw/zinc/28/86/07/1001288607.db2.gz BCJJFSDALHVNDT-SECBINFHSA-N -1 0 313.383 -0.127 20 0 DBADRM O=C(CCc1cncnc1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412058649 1001290750 /nfs/dbraw/zinc/29/07/50/1001290750.db2.gz TVJPSAYSCOINAS-UHFFFAOYSA-N -1 0 303.326 -0.568 20 0 DBADRM CO[C@@H](CC(=O)N1CCC(O)(c2nnn[n-]2)CC1)C(F)(F)F ZINC001412058547 1001290860 /nfs/dbraw/zinc/29/08/60/1001290860.db2.gz SRFRLXKCLSHTJF-ZETCQYMHSA-N -1 0 323.275 -0.023 20 0 DBADRM Cn1cc(CCC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)nn1 ZINC001412065685 1001293318 /nfs/dbraw/zinc/29/33/18/1001293318.db2.gz MHXNUCRYBFNWSX-VIFPVBQESA-N -1 0 305.342 -0.022 20 0 DBADRM C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)N1CCCC1 ZINC001412074837 1001294283 /nfs/dbraw/zinc/29/42/83/1001294283.db2.gz IZGQWKUQVPSRAD-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM O=C(C[C@H]1CCCS(=O)(=O)C1)NCCc1nc(=O)o[n-]1 ZINC001412081119 1001295975 /nfs/dbraw/zinc/29/59/75/1001295975.db2.gz YJRGDJQYJHOBRG-MRVPVSSYSA-N -1 0 303.340 -0.764 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H](CO)Cc1ccc(F)cc1 ZINC001412098499 1001301013 /nfs/dbraw/zinc/30/10/13/1001301013.db2.gz YIXXCWAQQPSOIT-SNVBAGLBSA-N -1 0 310.285 -0.452 20 0 DBADRM C[S@](=O)Cc1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001412117893 1001306223 /nfs/dbraw/zinc/30/62/23/1001306223.db2.gz LVOPFEONFHVUDY-QFIPXVFZSA-N -1 0 324.362 -0.116 20 0 DBADRM CO[C@@H]1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001591358707 1016485404 /nfs/dbraw/zinc/48/54/04/1016485404.db2.gz YJWSJHWDEZPINO-DTWKUNHWSA-N -1 0 306.330 -0.658 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCC[C@@H]2COC[C@@H]21 ZINC001412168166 1001319633 /nfs/dbraw/zinc/31/96/33/1001319633.db2.gz HCOQVRKHVXSWOQ-KOLCDFICSA-N -1 0 303.322 -0.291 20 0 DBADRM CO[C@@H]1CC[C@H](C)N(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001591347974 1016486576 /nfs/dbraw/zinc/48/65/76/1016486576.db2.gz NBCINMHKBVZVHE-DTWKUNHWSA-N -1 0 306.330 -0.516 20 0 DBADRM CO[C@H]([C@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001591325999 1016481105 /nfs/dbraw/zinc/48/11/05/1016481105.db2.gz FUPQEJWFZNINJI-OIBJUYFYSA-N -1 0 306.330 -0.612 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1C[C@H](NC(=O)CC2CC2)C1 ZINC001412168976 1001321754 /nfs/dbraw/zinc/32/17/54/1001321754.db2.gz SMSFTJLNZIZBBS-MGCOHNPYSA-N -1 0 323.353 -0.500 20 0 DBADRM CC[C@@H](NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1)C(N)=O ZINC001412173292 1001323108 /nfs/dbraw/zinc/32/31/08/1001323108.db2.gz KARJQXCBXMTQMZ-SECBINFHSA-N -1 0 318.337 -0.434 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)cc1=O ZINC001412185980 1001326451 /nfs/dbraw/zinc/32/64/51/1001326451.db2.gz CFYFYJGTYXOZGX-JTQLQIEISA-N -1 0 306.326 -0.313 20 0 DBADRM CCC[C@@H](O)[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001412219484 1001336810 /nfs/dbraw/zinc/33/68/10/1001336810.db2.gz JXAWNSQBAWYKAT-GHMZBOCLSA-N -1 0 306.326 -0.487 20 0 DBADRM COC1CN(Cn2cc3c(c(-c4nnn[n-]4)c2=O)CCC3)C1 ZINC001591361002 1016486693 /nfs/dbraw/zinc/48/66/93/1016486693.db2.gz KUOLCHXMGQGJER-UHFFFAOYSA-N -1 0 302.338 -0.195 20 0 DBADRM COC1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCCC1 ZINC001591341649 1016482564 /nfs/dbraw/zinc/48/25/64/1016482564.db2.gz NTKGMVMDILNKMF-UHFFFAOYSA-N -1 0 320.357 -0.076 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H](CO)[C@@H]1CCCOC1 ZINC001412246757 1001345929 /nfs/dbraw/zinc/34/59/29/1001345929.db2.gz IKVRCHYKOPGHCH-NXEZZACHSA-N -1 0 314.342 -0.627 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)c1ccco1 ZINC001423503449 1001349768 /nfs/dbraw/zinc/34/97/68/1001349768.db2.gz IALFEHZVECJIFC-VIFPVBQESA-N -1 0 309.326 -0.332 20 0 DBADRM C[C@H](C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001423518090 1001358351 /nfs/dbraw/zinc/35/83/51/1001358351.db2.gz IHPWMHHQUDDHJH-GXSJLCMTSA-N -1 0 311.386 -0.193 20 0 DBADRM Cc1cc(=O)[nH]c(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001412295965 1001359107 /nfs/dbraw/zinc/35/91/07/1001359107.db2.gz ARCMJNHNQZXGHO-UHFFFAOYSA-N -1 0 315.293 -0.808 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN(c2nc[nH]n2)CC1 ZINC001412298507 1001360587 /nfs/dbraw/zinc/36/05/87/1001360587.db2.gz SCBMLELDHIKGEC-UHFFFAOYSA-N -1 0 310.343 -0.931 20 0 DBADRM COC(=O)[C@]12CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]1CCCC2 ZINC001412301709 1001362360 /nfs/dbraw/zinc/36/23/60/1001362360.db2.gz LNYYBAOQUSOTSN-YMTOWFKASA-N -1 0 324.337 -0.119 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1cnc(C(F)(F)F)nc1 ZINC001412336845 1001370930 /nfs/dbraw/zinc/37/09/30/1001370930.db2.gz URWLGBDWRQDJBB-UHFFFAOYSA-N -1 0 318.215 -0.186 20 0 DBADRM COCC(=O)N[C@]1(C)CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001423540234 1001371000 /nfs/dbraw/zinc/37/10/00/1001371000.db2.gz BZYYDTUECBJREI-OAHLLOKOSA-N -1 0 319.365 -0.250 20 0 DBADRM Cn1cnnc1[C@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001412363820 1001377572 /nfs/dbraw/zinc/37/75/72/1001377572.db2.gz PCWZFGLTWZCKMH-LURJTMIESA-N -1 0 323.275 -0.578 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCN1C[C@H]2CCCCN2C1=O ZINC001412368800 1001378330 /nfs/dbraw/zinc/37/83/30/1001378330.db2.gz YVUAIKWLZGFKOY-SECBINFHSA-N -1 0 324.341 -0.904 20 0 DBADRM COC(=O)c1ccc(CC(=O)NCc2nc([O-])cc(=O)[nH]2)cn1 ZINC001412372837 1001378725 /nfs/dbraw/zinc/37/87/25/1001378725.db2.gz DRTWEDRKEBTGPE-UHFFFAOYSA-N -1 0 318.289 -0.072 20 0 DBADRM CC(C)NC(=O)[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001412380810 1001381278 /nfs/dbraw/zinc/38/12/78/1001381278.db2.gz KDMZKBHYAHOYCO-SECBINFHSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@@]1(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCS(=O)(=O)C1 ZINC001412381562 1001381684 /nfs/dbraw/zinc/38/16/84/1001381684.db2.gz PLJSPWJTRBWIGX-LLVKDONJSA-N -1 0 318.355 -0.837 20 0 DBADRM Nc1nnc([C@@H]2CCCN(C(=O)CCCc3nnn[n-]3)C2)o1 ZINC001412380448 1001382096 /nfs/dbraw/zinc/38/20/96/1001382096.db2.gz SMMNQPLFEJEPCS-MRVPVSSYSA-N -1 0 306.330 -0.106 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@@H]1CCS(=O)(=O)C1 ZINC001412395255 1001385630 /nfs/dbraw/zinc/38/56/30/1001385630.db2.gz PRRJUVKKWBOZIK-LURJTMIESA-N -1 0 306.369 -0.847 20 0 DBADRM COCCN(CCNC(=O)c1ccccn1)Cc1n[nH]c(=O)[n-]1 ZINC001423619829 1001391062 /nfs/dbraw/zinc/39/10/62/1001391062.db2.gz JXSCXWXBHYAEJO-UHFFFAOYSA-N -1 0 320.353 -0.216 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1c[n-]ncc1=O ZINC001412425376 1001397685 /nfs/dbraw/zinc/39/76/85/1001397685.db2.gz GFZWCPZBNTZSPU-VIFPVBQESA-N -1 0 314.367 -0.274 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001412428180 1001397882 /nfs/dbraw/zinc/39/78/82/1001397882.db2.gz RNGGLXSNRYYPEF-UWVGGRQHSA-N -1 0 308.342 -0.501 20 0 DBADRM O=C([C@@H]1CCc2cncn2C1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001412430518 1001399586 /nfs/dbraw/zinc/39/95/86/1001399586.db2.gz JKYPFDIDHLZJBM-KOLCDFICSA-N -1 0 303.326 -0.441 20 0 DBADRM O=C([C@H]1CCc2cncn2C1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001412430496 1001399990 /nfs/dbraw/zinc/39/99/90/1001399990.db2.gz JKYPFDIDHLZJBM-GXSJLCMTSA-N -1 0 303.326 -0.441 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)CCCc2nnn[n-]2)C1 ZINC001412451733 1001408401 /nfs/dbraw/zinc/40/84/01/1001408401.db2.gz GUBQASCUEIPNFK-SECBINFHSA-N -1 0 316.387 -0.937 20 0 DBADRM CO[C@@H]1CC[C@@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001591349716 1016487422 /nfs/dbraw/zinc/48/74/22/1016487422.db2.gz BSWBPYVCOUQKCB-HTQZYQBOSA-N -1 0 321.341 -0.757 20 0 DBADRM CO[C@H]1CC[C@H](C)N(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001591347975 1016487638 /nfs/dbraw/zinc/48/76/38/1016487638.db2.gz NBCINMHKBVZVHE-IUCAKERBSA-N -1 0 306.330 -0.516 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)N2CCC(c3nnn[n-]3)CC2)C1 ZINC001412476393 1001418644 /nfs/dbraw/zinc/41/86/44/1001418644.db2.gz UJJFOHJECXVMCS-SNVBAGLBSA-N -1 0 307.358 -0.304 20 0 DBADRM CC1=C(C(=O)N2CC[C@H](c3nnn[n-]3)C2)S(=O)(=O)CCO1 ZINC001412483825 1001421663 /nfs/dbraw/zinc/42/16/63/1001421663.db2.gz AYOUANZYYBNLIY-QMMMGPOBSA-N -1 0 313.339 -0.808 20 0 DBADRM O=C(c1cnc2c(c1)NC(=O)CO2)N1CC[C@H](c2nnn[n-]2)C1 ZINC001412488593 1001424444 /nfs/dbraw/zinc/42/44/44/1001424444.db2.gz KQSFNFIPUKESFA-ZETCQYMHSA-N -1 0 315.293 -0.445 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccnn1C[C@H]1CCOC1 ZINC001412489446 1001424516 /nfs/dbraw/zinc/42/45/16/1001424516.db2.gz XHHHTGVGHAOIJG-MRVPVSSYSA-N -1 0 308.298 -0.439 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H](O)c1cnn(C)c1 ZINC001423771977 1001428566 /nfs/dbraw/zinc/42/85/66/1001428566.db2.gz WFWVEOSDPXGZIO-SNVBAGLBSA-N -1 0 324.428 -0.204 20 0 DBADRM CC(C)(CNC(=O)CSc1n[nH]c(=O)[n-]1)NS(C)(=O)=O ZINC001412520790 1001436200 /nfs/dbraw/zinc/43/62/00/1001436200.db2.gz IJIFKNKLAKNPDW-UHFFFAOYSA-N -1 0 323.400 -0.954 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CCn1ncn(C)c1=O ZINC001412526922 1001438249 /nfs/dbraw/zinc/43/82/49/1001438249.db2.gz HSWXFLBMBGIASE-UHFFFAOYSA-N -1 0 308.346 -0.830 20 0 DBADRM COc1c[nH]c(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1=O ZINC001412538800 1001441761 /nfs/dbraw/zinc/44/17/61/1001441761.db2.gz XZYOJDGIHGYIFS-SNVBAGLBSA-N -1 0 306.282 -0.890 20 0 DBADRM COCC(=O)N[C@H](C)CCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001591366990 1016494502 /nfs/dbraw/zinc/49/45/02/1016494502.db2.gz YKLSCEFQQWRUOI-SECBINFHSA-N -1 0 320.357 -0.578 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)c1cccc(F)c1 ZINC001423810567 1001444627 /nfs/dbraw/zinc/44/46/27/1001444627.db2.gz YUGWZBSKDLWYRN-UHFFFAOYSA-N -1 0 321.312 -0.374 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412548420 1001447289 /nfs/dbraw/zinc/44/72/89/1001447289.db2.gz WHKNSSAUHORTJQ-QMMMGPOBSA-N -1 0 320.371 -0.639 20 0 DBADRM COC(=O)[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccccc1 ZINC001412573807 1001453393 /nfs/dbraw/zinc/45/33/93/1001453393.db2.gz GPEQSKKPDGUHRL-SECBINFHSA-N -1 0 318.289 -0.031 20 0 DBADRM COC(=O)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccccc1 ZINC001412573816 1001453463 /nfs/dbraw/zinc/45/34/63/1001453463.db2.gz GPEQSKKPDGUHRL-VIFPVBQESA-N -1 0 318.289 -0.031 20 0 DBADRM CSC[C@H](C)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423831511 1001454298 /nfs/dbraw/zinc/45/42/98/1001454298.db2.gz WKPDUOVSRAHDPN-QMMMGPOBSA-N -1 0 315.399 -0.828 20 0 DBADRM COC(=O)C[C@@H]1CSCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412578687 1001456112 /nfs/dbraw/zinc/45/61/12/1001456112.db2.gz NPSGZOMGIVGCQS-SSDOTTSWSA-N -1 0 316.339 -0.804 20 0 DBADRM C[C@H](C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)n1cccc1 ZINC001423836421 1001460163 /nfs/dbraw/zinc/46/01/63/1001460163.db2.gz SFCVERWWQYTILC-SNVBAGLBSA-N -1 0 320.353 -0.764 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)NC(=O)C1CCC1 ZINC001423840491 1001468820 /nfs/dbraw/zinc/46/88/20/1001468820.db2.gz HNOAXSQIWNFUBS-BQBZGAKWSA-N -1 0 309.326 -0.294 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001423854847 1001480894 /nfs/dbraw/zinc/48/08/94/1001480894.db2.gz RQEALXJHUPDRCE-GARJFASQSA-N -1 0 307.368 -0.603 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001591376125 1016498227 /nfs/dbraw/zinc/49/82/27/1016498227.db2.gz RBRZAVPOCYSAIN-LURJTMIESA-N -1 0 315.311 -0.446 20 0 DBADRM O=C(c1s[n-]c(=O)c1Cl)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001412616890 1001499415 /nfs/dbraw/zinc/49/94/15/1001499415.db2.gz SGCUDMSDVINUCM-RXMQYKEDSA-N -1 0 317.754 -0.175 20 0 DBADRM CCn1nc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)ccc1=O ZINC001412616728 1001499811 /nfs/dbraw/zinc/49/98/11/1001499811.db2.gz VUOYKNVJULGRGC-SNVBAGLBSA-N -1 0 317.353 -0.129 20 0 DBADRM COC[C@H](NC(=O)[C@H](O)Cc1cccc(OC)c1)c1nnn[n-]1 ZINC001412616398 1001499840 /nfs/dbraw/zinc/49/98/40/1001499840.db2.gz YFYGOUTXOYAJDY-NWDGAFQWSA-N -1 0 321.337 -0.384 20 0 DBADRM O=C(N1CCC[C@@H](Cc2nnn[n-]2)C1)C1(CO)CCOCC1 ZINC001412619104 1001499873 /nfs/dbraw/zinc/49/98/73/1001499873.db2.gz YRSFNCNZDYDVOW-NSHDSACASA-N -1 0 309.370 -0.230 20 0 DBADRM O=C(NC[C@H](O)Cc1ccc(F)cc1)c1n[nH]c(=O)[n-]c1=O ZINC001412628331 1001513310 /nfs/dbraw/zinc/51/33/10/1001513310.db2.gz QOCGSCSPSIIQFH-SECBINFHSA-N -1 0 308.269 -0.245 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H](CO)C[C@H]1CCCO1 ZINC001412633213 1001515379 /nfs/dbraw/zinc/51/53/79/1001515379.db2.gz YGTOZJFXQJFLTB-HTQZYQBOSA-N -1 0 302.356 -0.351 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC001412634326 1001517111 /nfs/dbraw/zinc/51/71/11/1001517111.db2.gz KYGWFKACKPMXAN-MRVPVSSYSA-N -1 0 309.326 -0.651 20 0 DBADRM CO[C@@]1(CNC(=O)c2cc(=O)n(C)[n-]2)CCS(=O)(=O)C1 ZINC001412640349 1001517784 /nfs/dbraw/zinc/51/77/84/1001517784.db2.gz IOWKPLAYHOEJNJ-LLVKDONJSA-N -1 0 303.340 -0.941 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1c(=O)[n-][nH]c1=O)c1cccc(F)c1 ZINC001412638002 1001518517 /nfs/dbraw/zinc/51/85/17/1001518517.db2.gz DQMTXSIFEUNPNL-CYBMUJFWSA-N -1 0 310.285 -0.148 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001412641853 1001518916 /nfs/dbraw/zinc/51/89/16/1001518916.db2.gz QYYZRODFTKIXCX-BDAKNGLRSA-N -1 0 312.326 -0.073 20 0 DBADRM O=C(N[C@@H]1CC[C@@H](O)[C@@H](O)CC1)c1c[n-]n2c1nccc2=O ZINC001412642296 1001519163 /nfs/dbraw/zinc/51/91/63/1001519163.db2.gz XVPCKZPFAVWZDG-UIKWRGBMSA-N -1 0 306.322 -0.583 20 0 DBADRM COC(=O)C[C@]1([N-]S(=O)(=O)N=S(C)(C)=O)CCOC1 ZINC001423898699 1001520673 /nfs/dbraw/zinc/52/06/73/1001520673.db2.gz MRGHOIRWZWJJGC-SECBINFHSA-N -1 0 314.385 -0.729 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCOCN3)cc2=O)n1 ZINC001412647138 1001520676 /nfs/dbraw/zinc/52/06/76/1001520676.db2.gz VDWIHSHLYKZQHD-UHFFFAOYSA-N -1 0 304.310 -0.493 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)c2nc[nH]n2)c1[O-] ZINC001412659349 1001523461 /nfs/dbraw/zinc/52/34/61/1001523461.db2.gz CTOJMPCVVKMPBQ-ZCFIWIBFSA-N -1 0 307.314 -0.568 20 0 DBADRM COC[C@@H]1COCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412659507 1001523612 /nfs/dbraw/zinc/52/36/12/1001523612.db2.gz QBZLAKBLSXTMDA-SECBINFHSA-N -1 0 300.315 -0.657 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412663930 1001524812 /nfs/dbraw/zinc/52/48/12/1001524812.db2.gz VMLCXVDOHUDWRK-NXEZZACHSA-N -1 0 314.342 -0.220 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(O)(C(F)(F)F)CC1 ZINC001412688661 1001531849 /nfs/dbraw/zinc/53/18/49/1001531849.db2.gz INHXDFMAHWJOJV-UHFFFAOYSA-N -1 0 310.232 -0.395 20 0 DBADRM C[C@@H](O)[C@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001412725085 1001542192 /nfs/dbraw/zinc/54/21/92/1001542192.db2.gz FIFJGAZMDOYOHC-KOLCDFICSA-N -1 0 302.338 -0.082 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOC[C@@H]1C[C@H]1CCCO1 ZINC001412730628 1001545683 /nfs/dbraw/zinc/54/56/83/1001545683.db2.gz AZYANEMDUHNJFD-DTWKUNHWSA-N -1 0 310.310 -0.307 20 0 DBADRM CC(C)CO[C@H]1CCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001591390956 1016504300 /nfs/dbraw/zinc/50/43/00/1016504300.db2.gz CNQXJNNOVZRSAW-UWVGGRQHSA-N -1 0 304.318 -0.201 20 0 DBADRM CC(C)COC[C@@H](O)CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001591390256 1016504996 /nfs/dbraw/zinc/50/49/96/1016504996.db2.gz RCXTXANUQPKVEL-GARJFASQSA-N -1 0 309.384 -0.198 20 0 DBADRM C[C@@H](C[S@@](C)=O)N(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412755361 1001560946 /nfs/dbraw/zinc/56/09/46/1001560946.db2.gz YYUPRSXTJQSZPH-GTUYJWLHSA-N -1 0 322.394 -0.086 20 0 DBADRM Cn1[n-]c(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)cc1=O ZINC001412761846 1001564513 /nfs/dbraw/zinc/56/45/13/1001564513.db2.gz UVSOVIJOAQHPQR-QMMMGPOBSA-N -1 0 304.310 -0.370 20 0 DBADRM C[C@@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)c1nn(C)cc1[O-] ZINC001412771649 1001570383 /nfs/dbraw/zinc/57/03/83/1001570383.db2.gz UPLYHYBGERWGFX-PSASIEDQSA-N -1 0 309.326 -0.834 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC[C@H](O)[C@H](F)C1 ZINC001412777768 1001573611 /nfs/dbraw/zinc/57/36/11/1001573611.db2.gz TUMRZYQBNOEYKO-BDAKNGLRSA-N -1 0 308.269 -0.019 20 0 DBADRM COCC1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC1 ZINC001591394680 1016507068 /nfs/dbraw/zinc/50/70/68/1016507068.db2.gz ZXDKYGCIIWRCQI-UHFFFAOYSA-N -1 0 321.341 -0.884 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)c2ncn(C)n2)c1[O-] ZINC001424120750 1001577821 /nfs/dbraw/zinc/57/78/21/1001577821.db2.gz FOFQEGUOHUHUSB-ZETCQYMHSA-N -1 0 321.341 -0.557 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001424125291 1001578624 /nfs/dbraw/zinc/57/86/24/1001578624.db2.gz DNYUNHDGJVIBSB-BDAKNGLRSA-N -1 0 301.322 -0.425 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001424125310 1001579138 /nfs/dbraw/zinc/57/91/38/1001579138.db2.gz DNYUNHDGJVIBSB-RKDXNWHRSA-N -1 0 301.322 -0.425 20 0 DBADRM C[C@H](O)c1ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)s1 ZINC001412822542 1001604716 /nfs/dbraw/zinc/60/47/16/1001604716.db2.gz DAGPZGWXJKBFCA-LURJTMIESA-N -1 0 321.380 -0.608 20 0 DBADRM COC(=O)[C@@](C)(CO)NS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001424199726 1001594909 /nfs/dbraw/zinc/59/49/09/1001594909.db2.gz VETVRAHXOMXNGJ-LLVKDONJSA-N -1 0 307.299 -0.266 20 0 DBADRM COCCC1(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCC1 ZINC001591402450 1016509362 /nfs/dbraw/zinc/50/93/62/1016509362.db2.gz HHPBQLWOFXGZMV-UHFFFAOYSA-N -1 0 306.330 -0.466 20 0 DBADRM COCCCN(C)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591414089 1016509567 /nfs/dbraw/zinc/50/95/67/1016509567.db2.gz BYADURYUISVUON-UHFFFAOYSA-N -1 0 312.355 -0.081 20 0 DBADRM CC[C@@H]([N-]S(=O)(=O)c1occc1C(=O)OC)C(=O)NC ZINC001424236959 1001605148 /nfs/dbraw/zinc/60/51/48/1001605148.db2.gz HWDARAXSSUDPEW-MRVPVSSYSA-N -1 0 304.324 -0.131 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)[C@H]1CC12CC2 ZINC001424241616 1001605952 /nfs/dbraw/zinc/60/59/52/1001605952.db2.gz FZKAOGWBSPNWDH-RKDXNWHRSA-N -1 0 323.353 -0.548 20 0 DBADRM Cn1nc2c(c1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)CCC2 ZINC001412839146 1001614254 /nfs/dbraw/zinc/61/42/54/1001614254.db2.gz LUTBRPYTHBJSAZ-UHFFFAOYSA-N -1 0 310.339 -0.317 20 0 DBADRM O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1ccc(F)cc1[O-] ZINC001412840036 1001614600 /nfs/dbraw/zinc/61/46/00/1001614600.db2.gz RKQKOYMAYJVODN-GFCCVEGCSA-N -1 0 303.311 -0.189 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1C[C@@H](O)C[C@H]1CO ZINC001412842675 1001616584 /nfs/dbraw/zinc/61/65/84/1001616584.db2.gz KPVDPKAHNIXJQE-YUMQZZPRSA-N -1 0 306.278 -0.996 20 0 DBADRM COC(=O)Cn1ncc(NC(=O)CCCc2nnn[n-]2)c1C ZINC001412844415 1001616762 /nfs/dbraw/zinc/61/67/62/1001616762.db2.gz ASLGBINUPJCCBX-UHFFFAOYSA-N -1 0 307.314 -0.161 20 0 DBADRM NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC001412858786 1001624827 /nfs/dbraw/zinc/62/48/27/1001624827.db2.gz IOPVUFPQZMNYMS-AWEZNQCLSA-N -1 0 301.306 -0.221 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001591414339 1016511372 /nfs/dbraw/zinc/51/13/72/1016511372.db2.gz HKPJGELMZCTZPA-VHSXEESVSA-N -1 0 307.368 -0.649 20 0 DBADRM NC(=O)Cc1cccc2c1CCN(C(=O)c1n[nH]c(=O)[n-]1)C2 ZINC001412866837 1001628124 /nfs/dbraw/zinc/62/81/24/1001628124.db2.gz QQXXGFKSVVERFX-UHFFFAOYSA-N -1 0 301.306 -0.263 20 0 DBADRM CC(C)(C)n1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)nn1 ZINC001412898193 1001639060 /nfs/dbraw/zinc/63/90/60/1001639060.db2.gz JJSNBYPDMYBWKO-UHFFFAOYSA-N -1 0 320.357 -0.330 20 0 DBADRM COc1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)sn1 ZINC001412901686 1001641080 /nfs/dbraw/zinc/64/10/80/1001641080.db2.gz PNPQXKKJGRVWDN-UHFFFAOYSA-N -1 0 310.339 -0.211 20 0 DBADRM CON1CCC(CC(=O)N2CCC(O)(c3nnn[n-]3)CC2)CC1 ZINC001412899991 1001641222 /nfs/dbraw/zinc/64/12/22/1001641222.db2.gz NXGFZJFKDBFSBU-UHFFFAOYSA-N -1 0 324.385 -0.327 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001412905811 1001643154 /nfs/dbraw/zinc/64/31/54/1001643154.db2.gz XKFOVMSTRLJYAX-JTQLQIEISA-N -1 0 315.399 -0.052 20 0 DBADRM COC(=O)[C@@H](C)N(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412925189 1001651295 /nfs/dbraw/zinc/65/12/95/1001651295.db2.gz XGGTVCUSVYXLAB-MRVPVSSYSA-N -1 0 304.310 -0.292 20 0 DBADRM COCCN(CCF)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591424320 1016516407 /nfs/dbraw/zinc/51/64/07/1016516407.db2.gz XXRYGIHNWYZZHH-QMMMGPOBSA-N -1 0 312.309 -0.536 20 0 DBADRM Nc1nc2nc(CN3CCO[C@@]4(CCSC4)C3)cc(=O)n2[n-]1 ZINC001413011665 1001683624 /nfs/dbraw/zinc/68/36/24/1001683624.db2.gz LRRWRPZUGJTASE-ZDUSSCGKSA-N -1 0 322.394 -0.292 20 0 DBADRM O=C(c1c[n-]ncc1=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC001413069677 1001695642 /nfs/dbraw/zinc/69/56/42/1001695642.db2.gz FSYOYSGEPVRKIU-GXSJLCMTSA-N -1 0 313.335 -0.790 20 0 DBADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001413085840 1001697770 /nfs/dbraw/zinc/69/77/70/1001697770.db2.gz OSWYWPXPZYUBES-ZETCQYMHSA-N -1 0 310.314 -0.841 20 0 DBADRM COCCCC(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001591406570 1016513348 /nfs/dbraw/zinc/51/33/48/1016513348.db2.gz AFBYLRWGHOEERR-UHFFFAOYSA-N -1 0 306.330 -0.967 20 0 DBADRM COc1ccc([C@H](CO)CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001413086973 1001697984 /nfs/dbraw/zinc/69/79/84/1001697984.db2.gz XLKBHHJOTPTKJO-JTQLQIEISA-N -1 0 322.321 -0.410 20 0 DBADRM CC[C@@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C(=O)NC ZINC001413123315 1001702395 /nfs/dbraw/zinc/70/23/95/1001702395.db2.gz WGAFVXMNVPZNOK-SNVBAGLBSA-N -1 0 319.321 -0.479 20 0 DBADRM C[C@@H]1C[C@@H](CO)CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001413155166 1001704904 /nfs/dbraw/zinc/70/49/04/1001704904.db2.gz QYTTWLVRLAHLOD-NXEZZACHSA-N -1 0 305.338 -0.452 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN(Cc2cn[nH]c2)CC1 ZINC001413150781 1001705280 /nfs/dbraw/zinc/70/52/80/1001705280.db2.gz GRULCMAFYDEDDG-UHFFFAOYSA-N -1 0 323.382 -0.330 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC001413181053 1001707488 /nfs/dbraw/zinc/70/74/88/1001707488.db2.gz KDMZIRVOHUFTBN-UHFFFAOYSA-N -1 0 312.307 -0.718 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccccc1OCC(N)=O ZINC001413188407 1001710574 /nfs/dbraw/zinc/71/05/74/1001710574.db2.gz ZMKHDMPGXDVUEY-UHFFFAOYSA-N -1 0 306.278 -0.501 20 0 DBADRM COCCOC(=O)N(C)Cn1cncc(-c2nnn[n-]2)c1=O ZINC001591431570 1016521329 /nfs/dbraw/zinc/52/13/29/1016521329.db2.gz QGCLSEHUJKKMOJ-UHFFFAOYSA-N -1 0 309.286 -0.904 20 0 DBADRM COCCc1noc(Cn2cccc(-c3nnn[n-]3)c2=O)n1 ZINC001591448909 1016525264 /nfs/dbraw/zinc/52/52/64/1016525264.db2.gz FSVRIKLXVVETSH-UHFFFAOYSA-N -1 0 303.282 -0.351 20 0 DBADRM CC(C)CNC(=O)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001413265730 1001789312 /nfs/dbraw/zinc/78/93/12/1001789312.db2.gz GVLIESFCFFBEID-UHFFFAOYSA-N -1 0 311.429 -0.145 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NCc2ncnn2C)c1[O-] ZINC001424773359 1001793168 /nfs/dbraw/zinc/79/31/68/1001793168.db2.gz OTYMRDAZADQMQW-HTQZYQBOSA-N -1 0 307.358 -0.151 20 0 DBADRM C[C@H]1CCCC[C@@]12CC(=O)NN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001413275259 1001800209 /nfs/dbraw/zinc/80/02/09/1001800209.db2.gz FKNNYBMBKPMXCE-ISVAXAHUSA-N -1 0 309.326 -0.098 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)CCc1nnn[n-]1 ZINC001413279902 1001801885 /nfs/dbraw/zinc/80/18/85/1001801885.db2.gz OZCFGQLTIWQMMF-SECBINFHSA-N -1 0 311.342 -0.299 20 0 DBADRM CSCC[C@H](NC(=O)CCNS(C)(=O)=O)c1nnn[n-]1 ZINC001413295400 1001805997 /nfs/dbraw/zinc/80/59/97/1001805997.db2.gz DGTXDKMAPSAEFM-ZETCQYMHSA-N -1 0 322.416 -0.951 20 0 DBADRM Cc1cc(CN[C@@H](C)[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001424845148 1001806127 /nfs/dbraw/zinc/80/61/27/1001806127.db2.gz ZUYQUPWQCHDNSI-IUCAKERBSA-N -1 0 324.341 -0.331 20 0 DBADRM C[C@@]([N-]S(=O)(=O)N=S(C)(C)=O)(C(N)=O)c1ccccc1 ZINC001413306639 1001809045 /nfs/dbraw/zinc/80/90/45/1001809045.db2.gz LTADIZNJSGFLNC-NSHDSACASA-N -1 0 319.408 -0.051 20 0 DBADRM CN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H](CO)C1 ZINC001413325616 1001814729 /nfs/dbraw/zinc/81/47/29/1001814729.db2.gz ITZXQKBAYYBSIN-SECBINFHSA-N -1 0 319.321 -0.816 20 0 DBADRM O=C(CS(=O)(=O)C1CCCC1)NCc1nc([O-])cc(=O)[nH]1 ZINC001413328902 1001815386 /nfs/dbraw/zinc/81/53/86/1001815386.db2.gz UDCDAKDNYCJSNK-UHFFFAOYSA-N -1 0 315.351 -0.139 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)C[C@@H]1C(N)=O ZINC001413337677 1001818946 /nfs/dbraw/zinc/81/89/46/1001818946.db2.gz AFDPUFKTKDCPIJ-BQBZGAKWSA-N -1 0 313.260 -0.671 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)C[C@H]1C(N)=O ZINC001413337687 1001819020 /nfs/dbraw/zinc/81/90/20/1001819020.db2.gz AFDPUFKTKDCPIJ-RNFRBKRXSA-N -1 0 313.260 -0.671 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)C[C@H]1C(N)=O ZINC001413337682 1001819244 /nfs/dbraw/zinc/81/92/44/1001819244.db2.gz AFDPUFKTKDCPIJ-KNVOCYPGSA-N -1 0 313.260 -0.671 20 0 DBADRM C[C@@H](CNC(=O)CCn1ccnc1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001424976767 1001820237 /nfs/dbraw/zinc/82/02/37/1001820237.db2.gz BUPKQAOEGWDOHN-JTQLQIEISA-N -1 0 307.358 -0.266 20 0 DBADRM C[C@@H](CNC(=O)C[C@H]1CCN(C)C1=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001424979708 1001821347 /nfs/dbraw/zinc/82/13/47/1001821347.db2.gz JCBPVQKKYZRHIB-VHSXEESVSA-N -1 0 324.385 -0.685 20 0 DBADRM COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)Cc1noc(C2CC2)n1 ZINC001413365547 1001828017 /nfs/dbraw/zinc/82/80/17/1001828017.db2.gz KUYNRCDZNOTAHN-LLVKDONJSA-N -1 0 319.339 -0.710 20 0 DBADRM COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC001413367180 1001828655 /nfs/dbraw/zinc/82/86/55/1001828655.db2.gz ZZZVRQLKAGEENI-ZYHUDNBSSA-N -1 0 311.400 -0.109 20 0 DBADRM CCOC(=O)[C@@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)C(C)(C)C ZINC001413373026 1001830934 /nfs/dbraw/zinc/83/09/34/1001830934.db2.gz JIOCPGHDHXLXQR-OPRDCNLKSA-N -1 0 309.384 -0.357 20 0 DBADRM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1s[n-]c(=O)c1Cl ZINC001413371170 1001830977 /nfs/dbraw/zinc/83/09/77/1001830977.db2.gz JCIARDSJTCONPZ-QWWZWVQMSA-N -1 0 312.756 -0.610 20 0 DBADRM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1cc2c(cc1O)OCO2 ZINC001413373296 1001831498 /nfs/dbraw/zinc/83/14/98/1001831498.db2.gz RQWWUYQVTSUBEW-VXNVDRBHSA-N -1 0 315.303 -0.991 20 0 DBADRM COC(=O)c1coc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1 ZINC001413390534 1001835864 /nfs/dbraw/zinc/83/58/64/1001835864.db2.gz XTCALFFPDWNTNN-MRVPVSSYSA-N -1 0 307.266 -0.207 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC001413391395 1001836375 /nfs/dbraw/zinc/83/63/75/1001836375.db2.gz NDIZUHNTGTTWLA-SNVBAGLBSA-N -1 0 323.353 -0.307 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)Cc2cncnc2)c1[O-] ZINC001433387296 1001844680 /nfs/dbraw/zinc/84/46/80/1001844680.db2.gz MBTDHUDNSDORKL-MRVPVSSYSA-N -1 0 318.337 -0.309 20 0 DBADRM COC[C@H](CS(=O)(=O)NCC1N=NC(=O)N1C1CC1)OC ZINC001413424527 1001844766 /nfs/dbraw/zinc/84/47/66/1001844766.db2.gz MZUUINJAMNHDAU-SECBINFHSA-N -1 0 320.371 -0.601 20 0 DBADRM O=C(N[C@@H]1COCC[C@H]1O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001413429876 1001846521 /nfs/dbraw/zinc/84/65/21/1001846521.db2.gz OFKXMCKILLNHOQ-GHMZBOCLSA-N -1 0 305.290 -0.091 20 0 DBADRM CC(C)n1cc(CNC(=O)CCCc2nnn[n-]2)c(=O)[nH]c1=O ZINC001413456324 1001852001 /nfs/dbraw/zinc/85/20/01/1001852001.db2.gz BJIPQEXRWMHDEK-UHFFFAOYSA-N -1 0 321.341 -0.318 20 0 DBADRM O=C(c1c[n-]ncc1=O)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001413455904 1001852616 /nfs/dbraw/zinc/85/26/16/1001852616.db2.gz SHVPTDDVEYUZQE-SECBINFHSA-N -1 0 306.322 -0.715 20 0 DBADRM O=C(NC1(CCO)CN(Cc2cnsn2)C1)c1cn[nH]n1 ZINC001425124772 1001852884 /nfs/dbraw/zinc/85/28/84/1001852884.db2.gz XIYRCNJELZERFU-UHFFFAOYSA-N -1 0 309.355 -0.977 20 0 DBADRM CN1CC[C@H](CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1=O ZINC001433430963 1001853645 /nfs/dbraw/zinc/85/36/45/1001853645.db2.gz GGSMSXSQOVXVBO-SNVBAGLBSA-N -1 0 322.369 -0.977 20 0 DBADRM C[C@@]1(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCNC(=O)C1 ZINC001433438427 1001855392 /nfs/dbraw/zinc/85/53/92/1001855392.db2.gz ZOROOZLPWNXXJI-CQSZACIVSA-N -1 0 322.369 -0.929 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@]12CC(=O)N[C@H]1CCCC2 ZINC001413476374 1001858434 /nfs/dbraw/zinc/85/84/34/1001858434.db2.gz DSFGDIUMYPXRRA-WCBMZHEXSA-N -1 0 309.413 -0.250 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1=CCCC1 ZINC001425171191 1001860120 /nfs/dbraw/zinc/86/01/20/1001860120.db2.gz POFUEAIBHBWSIV-SECBINFHSA-N -1 0 323.353 -0.237 20 0 DBADRM Cn1ncc(CCC(=O)N2CCC(Cc3nn[nH]n3)CC2)n1 ZINC001413507814 1001864451 /nfs/dbraw/zinc/86/44/51/1001864451.db2.gz RMNBFDXHIQMIEF-UHFFFAOYSA-N -1 0 304.358 -0.258 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)/C=C/C(=O)N(C)C)C(=O)[O-] ZINC001591457543 1016532065 /nfs/dbraw/zinc/53/20/65/1016532065.db2.gz MPWRTGQLOVQOSR-PORFMDCZSA-N -1 0 313.354 -0.638 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21 ZINC001413564006 1001880232 /nfs/dbraw/zinc/88/02/32/1001880232.db2.gz BZPVRPPFOXLLHL-IJLUTSLNSA-N -1 0 321.385 -0.117 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC001413565543 1001881018 /nfs/dbraw/zinc/88/10/18/1001881018.db2.gz IMRBSTZHKWLGBP-MNOVXSKESA-N -1 0 324.385 -0.053 20 0 DBADRM CC(C)C[C@H](NC(=O)CNS(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC001591463315 1016533745 /nfs/dbraw/zinc/53/37/45/1016533745.db2.gz YHPDRZAHLKMZQK-QMMMGPOBSA-N -1 0 318.355 -0.697 20 0 DBADRM CCOC(=O)[C@H](COC)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001413568591 1001881750 /nfs/dbraw/zinc/88/17/50/1001881750.db2.gz GOGIQBWAWBLYLN-LURJTMIESA-N -1 0 304.328 -0.703 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(NC(=O)C(C)C)CC1 ZINC001413567940 1001881813 /nfs/dbraw/zinc/88/18/13/1001881813.db2.gz MHTRJWLOMFRTPG-UHFFFAOYSA-N -1 0 309.374 -0.117 20 0 DBADRM O=C(N[C@H](CO)C[C@@H]1CCCO1)c1c[n-]n2c1nccc2=O ZINC001413583668 1001885556 /nfs/dbraw/zinc/88/55/56/1001885556.db2.gz PISGKRFZIZOZPD-UWVGGRQHSA-N -1 0 306.322 -0.318 20 0 DBADRM CON(Cc1ccc(C)o1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001591464065 1016534373 /nfs/dbraw/zinc/53/43/73/1016534373.db2.gz AUAXSJFESAOMOM-UHFFFAOYSA-N -1 0 318.297 -0.050 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001591467600 1016534416 /nfs/dbraw/zinc/53/44/16/1016534416.db2.gz RQNLKPUKUYXLMP-MRVPVSSYSA-N -1 0 319.325 -0.096 20 0 DBADRM CNC(=O)C1(NC(=O)c2ccc3oc(=O)nc-3[n-]2)CCOCC1 ZINC001413583587 1001885967 /nfs/dbraw/zinc/88/59/67/1001885967.db2.gz OUUHUBGIDLEPNW-UHFFFAOYSA-N -1 0 320.305 -0.047 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC ZINC001591466886 1016534911 /nfs/dbraw/zinc/53/49/11/1016534911.db2.gz BFMUMURAJHFHGZ-UHFFFAOYSA-N -1 0 321.297 -0.326 20 0 DBADRM CN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC001433589175 1001892372 /nfs/dbraw/zinc/89/23/72/1001892372.db2.gz NUTAEZNAEVTKIK-LURJTMIESA-N -1 0 306.369 -0.752 20 0 DBADRM CN(C(=O)c1c[n-]n2c1nccc2=O)[C@H]1CCS(=O)(=O)C1 ZINC001433589223 1001892646 /nfs/dbraw/zinc/89/26/46/1001892646.db2.gz PBFPWLJIENMPCB-QMMMGPOBSA-N -1 0 310.335 -0.718 20 0 DBADRM C[C@@H](C[C@H](C)NC(=O)C1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001413654269 1001899401 /nfs/dbraw/zinc/89/94/01/1001899401.db2.gz XBHIGYLYCVOFNG-IUCAKERBSA-N -1 0 322.365 -0.091 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)CSc2n[nH]c(=O)[n-]2)CCS1(=O)=O ZINC001413657270 1001899639 /nfs/dbraw/zinc/89/96/39/1001899639.db2.gz RHMAHXMPKXIKNB-BQBZGAKWSA-N -1 0 320.396 -0.316 20 0 DBADRM CON(C)C(=O)C1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001591462768 1016537448 /nfs/dbraw/zinc/53/74/48/1016537448.db2.gz NPHKAVSBDXNSJM-UHFFFAOYSA-N -1 0 318.341 -0.107 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1csnn1)C(=O)[O-] ZINC001591463156 1016537728 /nfs/dbraw/zinc/53/77/28/1016537728.db2.gz CVZTUNPLCPKQJW-ZETCQYMHSA-N -1 0 300.340 -0.117 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(c2cccnn2)CC1 ZINC001433633829 1001918202 /nfs/dbraw/zinc/91/82/02/1001918202.db2.gz FZNIHFQTYKXRQR-UHFFFAOYSA-N -1 0 303.282 -0.965 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCN(c2cccnn2)CC1 ZINC001433636106 1001921195 /nfs/dbraw/zinc/92/11/95/1001921195.db2.gz SVDBKMQHALOPAW-UHFFFAOYSA-N -1 0 302.342 -0.339 20 0 DBADRM CC(C)N(C)C(=O)CN1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001591550922 1016548018 /nfs/dbraw/zinc/54/80/18/1016548018.db2.gz OMIZFFUUQPLFHS-NWDGAFQWSA-N -1 0 311.382 -0.284 20 0 DBADRM CC(C)N(CCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1cn[nH]n1 ZINC001591591321 1016552522 /nfs/dbraw/zinc/55/25/22/1016552522.db2.gz STHMBODDPPEKDR-VHSXEESVSA-N -1 0 323.353 -0.166 20 0 DBADRM CC(C)N(C)C(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001591550200 1016549447 /nfs/dbraw/zinc/54/94/47/1016549447.db2.gz DIEOFHRBYSSWQD-RYUDHWBXSA-N -1 0 311.382 -0.282 20 0 DBADRM CC(C)N(C[C@@H](O)CO)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001591573529 1016550175 /nfs/dbraw/zinc/55/01/75/1016550175.db2.gz KIQHFLMJZKTMQS-SSDOTTSWSA-N -1 0 308.312 -0.875 20 0 DBADRM CO[C@H]1C[C@H](CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001591475329 1016541773 /nfs/dbraw/zinc/54/17/73/1016541773.db2.gz ZITXIRRDGVCRTN-LJGSYFOKSA-N -1 0 307.314 -0.497 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)Nc2c(C(=O)[O-])cnn2C)C1=O ZINC001591603920 1016552272 /nfs/dbraw/zinc/55/22/72/1016552272.db2.gz BFVHGRQOAFZWLH-QMMMGPOBSA-N -1 0 323.309 -0.224 20 0 DBADRM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)CCc1nnn[n-]1 ZINC001433707687 1001986614 /nfs/dbraw/zinc/98/66/14/1001986614.db2.gz GXMZDBNFSLRZRP-ZDUSSCGKSA-N -1 0 300.322 -0.256 20 0 DBADRM NC(=O)[C@H]1c2ccccc2CCN1C(=O)CCc1nnn[n-]1 ZINC001433707683 1001987277 /nfs/dbraw/zinc/98/72/77/1001987277.db2.gz GXMZDBNFSLRZRP-CYBMUJFWSA-N -1 0 300.322 -0.256 20 0 DBADRM CC(C)N(CCCNC(=O)CC(N)=O)c1ncc(C(=O)[O-])cn1 ZINC001591590768 1016553008 /nfs/dbraw/zinc/55/30/08/1016553008.db2.gz GUAKOXTVIVTCCL-UHFFFAOYSA-N -1 0 323.353 -0.229 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001591595332 1016553044 /nfs/dbraw/zinc/55/30/44/1016553044.db2.gz LWQICUULZGFAJY-ZJUUUORDSA-N -1 0 307.368 -0.100 20 0 DBADRM CC(C)N(C[C@H](O)CO)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001591573983 1016553126 /nfs/dbraw/zinc/55/31/26/1016553126.db2.gz XECTZVFUGVLHRH-JTQLQIEISA-N -1 0 318.351 -0.468 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)Nc2cc(C(=O)[O-])nn2C)C1=O ZINC001591605405 1016554019 /nfs/dbraw/zinc/55/40/19/1016554019.db2.gz MBICAOMXRNHSFX-ZETCQYMHSA-N -1 0 323.309 -0.224 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001433771837 1002021157 /nfs/dbraw/zinc/02/11/57/1002021157.db2.gz AMBRNYSQSCUERK-ZETCQYMHSA-N -1 0 314.371 -0.478 20 0 DBADRM Cn1cc(C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)cn1 ZINC001433768340 1002022429 /nfs/dbraw/zinc/02/24/29/1002022429.db2.gz CKWHMTFKMUYMSS-VIFPVBQESA-N -1 0 306.326 -0.486 20 0 DBADRM CNC(=O)CC1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001433773338 1002023810 /nfs/dbraw/zinc/02/38/10/1002023810.db2.gz IIJFAUIXHQGSJT-UHFFFAOYSA-N -1 0 313.383 -0.023 20 0 DBADRM COc1cccc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC001591638760 1016556623 /nfs/dbraw/zinc/55/66/23/1016556623.db2.gz IBAUYPRIXLXOAV-UHFFFAOYSA-N -1 0 314.309 -0.217 20 0 DBADRM CC(C)N1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1=O ZINC001591633718 1016556705 /nfs/dbraw/zinc/55/67/05/1016556705.db2.gz VYJGAFSNGPCCQG-UHFFFAOYSA-N -1 0 316.339 -0.651 20 0 DBADRM CC(C)NC(=O)CN1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001591644770 1016557227 /nfs/dbraw/zinc/55/72/27/1016557227.db2.gz GUJPQLMDXXPGSC-NWDGAFQWSA-N -1 0 311.382 -0.234 20 0 DBADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CC[C@H](O)[C@H](CO)C1 ZINC001413841069 1002036156 /nfs/dbraw/zinc/03/61/56/1002036156.db2.gz MYXXVTCHKGALRT-RYUDHWBXSA-N -1 0 319.317 -0.155 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1n1ccnc1 ZINC001433805698 1002041665 /nfs/dbraw/zinc/04/16/65/1002041665.db2.gz KIRBMOJXLONWSO-UWVGGRQHSA-N -1 0 306.326 -0.005 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001433812618 1002043432 /nfs/dbraw/zinc/04/34/32/1002043432.db2.gz DJWHIKBLRBCNHE-ZCFIWIBFSA-N -1 0 308.385 -0.458 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCOC[C@@H]1c1ncon1 ZINC001433818812 1002047627 /nfs/dbraw/zinc/04/76/27/1002047627.db2.gz WONQSHKKSIRZEY-ZCFIWIBFSA-N -1 0 312.311 -0.415 20 0 DBADRM CC(C)NC(=O)NCCN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001591652609 1016560284 /nfs/dbraw/zinc/56/02/84/1016560284.db2.gz MNFOEHYRLVPFEU-JTQLQIEISA-N -1 0 321.399 -0.732 20 0 DBADRM CC(C)NC(=O)c1nnc(N2CCO[C@H](CC(=O)[O-])C2)n1C ZINC001591660744 1016560443 /nfs/dbraw/zinc/56/04/43/1016560443.db2.gz IDFHPZCDWJPJFE-SECBINFHSA-N -1 0 311.342 -0.367 20 0 DBADRM CCOC(=O)[C@@H](CO)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001433828663 1002053530 /nfs/dbraw/zinc/05/35/30/1002053530.db2.gz VEHNQBHXWWVEDH-LLVKDONJSA-N -1 0 313.354 -0.585 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC001433829284 1002056284 /nfs/dbraw/zinc/05/62/84/1002056284.db2.gz UBPUSDFUWZKOCP-SECBINFHSA-N -1 0 304.310 -0.521 20 0 DBADRM CC(C)NC(=O)c1nnc(N2CCO[C@@H](CC(=O)[O-])C2)n1C ZINC001591660745 1016561610 /nfs/dbraw/zinc/56/16/10/1016561610.db2.gz IDFHPZCDWJPJFE-VIFPVBQESA-N -1 0 311.342 -0.367 20 0 DBADRM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CC(CO)C1 ZINC001433851833 1002071810 /nfs/dbraw/zinc/07/18/10/1002071810.db2.gz DDZPRYKZNOPFKF-UHFFFAOYSA-N -1 0 315.333 -0.059 20 0 DBADRM Cn1ccc(CCNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])n1 ZINC001433892595 1002097696 /nfs/dbraw/zinc/09/76/96/1002097696.db2.gz QSGHQLMDVZRLCG-UHFFFAOYSA-N -1 0 324.362 -0.254 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnn(CC2CC2)c1 ZINC001433904567 1002103359 /nfs/dbraw/zinc/10/33/59/1002103359.db2.gz JXBYGJXUZKUYCW-UHFFFAOYSA-N -1 0 314.367 -0.511 20 0 DBADRM C[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)[C@H](C(N)=O)C1 ZINC001433925438 1002118401 /nfs/dbraw/zinc/11/84/01/1002118401.db2.gz KNEGBWAFWHJBDM-SCZZXKLOSA-N -1 0 303.322 -0.251 20 0 DBADRM COc1cncc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)n1 ZINC001433926115 1002119301 /nfs/dbraw/zinc/11/93/01/1002119301.db2.gz RFHCFQHRCRHUAR-MRVPVSSYSA-N -1 0 307.339 -0.071 20 0 DBADRM CC(C)OC(=O)[C@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001591685607 1016571966 /nfs/dbraw/zinc/57/19/66/1016571966.db2.gz JWUARCBAXVLLSI-VIFPVBQESA-N -1 0 322.383 -0.043 20 0 DBADRM COC(=O)C[C@]1(NC(=O)CSc2n[nH]c(=O)[n-]2)CCOC1 ZINC001433937029 1002124380 /nfs/dbraw/zinc/12/43/80/1002124380.db2.gz FCZWVTNNUQAGBX-LLVKDONJSA-N -1 0 316.339 -0.559 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001433936334 1002124447 /nfs/dbraw/zinc/12/44/47/1002124447.db2.gz FTPFOPAEOSAUNG-VIFPVBQESA-N -1 0 301.372 -0.442 20 0 DBADRM C[S@@](=O)CCN1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001591683965 1016572163 /nfs/dbraw/zinc/57/21/63/1016572163.db2.gz JHULWTADLZBICH-JOCHJYFZSA-N -1 0 322.398 -0.843 20 0 DBADRM COCC[C@@]1(NC(=O)c2c[n-]n3c2nccc3=O)CCOC1 ZINC001433941684 1002129432 /nfs/dbraw/zinc/12/94/32/1002129432.db2.gz DWNUCUOHPJHDLR-CQSZACIVSA-N -1 0 306.322 -0.052 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)c2c[n-]ncc2=O)[C@H](C)C1 ZINC001433967039 1002139159 /nfs/dbraw/zinc/13/91/59/1002139159.db2.gz GIDZPZPYNGWHNR-SECBINFHSA-N -1 0 314.367 -0.322 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)C2CC3(CC3)C2)c1[O-] ZINC001425504941 1002140524 /nfs/dbraw/zinc/14/05/24/1002140524.db2.gz VIOZIJDULWQEOA-SNVBAGLBSA-N -1 0 322.365 -0.179 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@@H]2CCN(C(N)=O)C2)cc1=O ZINC001433972796 1002143035 /nfs/dbraw/zinc/14/30/35/1002143035.db2.gz GNYWVCCCSGPCBO-NSHDSACASA-N -1 0 323.397 -0.108 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOc2cc(O)ccc2C1 ZINC001433974907 1002143698 /nfs/dbraw/zinc/14/36/98/1002143698.db2.gz RELZSJLJHWQUCO-UHFFFAOYSA-N -1 0 306.278 -0.184 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC001433977506 1002145594 /nfs/dbraw/zinc/14/55/94/1002145594.db2.gz ACBCZZCQAMIKFE-NTSWFWBYSA-N -1 0 322.243 -0.084 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CC1C(=O)N=CNC1=O ZINC001591705389 1016577971 /nfs/dbraw/zinc/57/79/71/1016577971.db2.gz YEDPDFONYHXLTE-SECBINFHSA-N -1 0 313.310 -0.233 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[C@@](O)(C(F)F)C1 ZINC001434007645 1002166480 /nfs/dbraw/zinc/16/64/80/1002166480.db2.gz WXUMMWLDAXEWCT-NSHDSACASA-N -1 0 305.237 -0.262 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CN1CCOCC1=O ZINC001591703530 1016578844 /nfs/dbraw/zinc/57/88/44/1016578844.db2.gz DKWZXDJMRZLPPD-SNVBAGLBSA-N -1 0 302.327 -0.818 20 0 DBADRM Cn1ncc(Br)c1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC001434037274 1002184821 /nfs/dbraw/zinc/18/48/21/1002184821.db2.gz GBZAWQSLNMHHKD-UHFFFAOYSA-N -1 0 303.076 -0.431 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1COc2ccccc2[C@@H]1O ZINC001434040481 1002184936 /nfs/dbraw/zinc/18/49/36/1002184936.db2.gz FHNXVMRIQIZPRQ-KCJUWKMLSA-N -1 0 306.278 -0.700 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1COc2ccccc2[C@H]1O ZINC001434040498 1002189425 /nfs/dbraw/zinc/18/94/25/1002189425.db2.gz FHNXVMRIQIZPRQ-LDYMZIIASA-N -1 0 306.278 -0.700 20 0 DBADRM C[C@@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@@H]1CO ZINC001591732511 1016584208 /nfs/dbraw/zinc/58/42/08/1016584208.db2.gz QZHSJRNXETUCOF-RKDXNWHRSA-N -1 0 306.330 -0.922 20 0 DBADRM Cc1cnc(CN[C@H](C)CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001425584412 1002213099 /nfs/dbraw/zinc/21/30/99/1002213099.db2.gz GZZVIZZRVOTUOC-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM C[C@H]1COCCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591774356 1016586362 /nfs/dbraw/zinc/58/63/62/1016586362.db2.gz CCQPIRMGNXHSME-QMMMGPOBSA-N -1 0 310.339 -0.329 20 0 DBADRM CC(C)NC(=O)[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001434086952 1002241648 /nfs/dbraw/zinc/24/16/48/1002241648.db2.gz YXPMRVWVMSIQMQ-QMMMGPOBSA-N -1 0 306.326 -0.900 20 0 DBADRM CC(C)Oc1ccc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])cn1 ZINC001591791325 1016590804 /nfs/dbraw/zinc/59/08/04/1016590804.db2.gz QYWGCTKEBRNVFE-LBPRGKRZSA-N -1 0 318.351 -0.017 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CCCC2CC2)c(=O)n1CCO ZINC001591793589 1016593434 /nfs/dbraw/zinc/59/34/34/1016593434.db2.gz CYGVIGUXCCXXLC-UHFFFAOYSA-N -1 0 320.353 -0.319 20 0 DBADRM Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)[N-]S(=O)(=O)CC(F)F ZINC001591784404 1016593461 /nfs/dbraw/zinc/59/34/61/1016593461.db2.gz LVIAUKABTCVVRY-UHFFFAOYSA-N -1 0 320.281 -0.172 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-][C@](C)(COC)C(=O)OC)OC ZINC001414234204 1002272240 /nfs/dbraw/zinc/27/22/40/1002272240.db2.gz VHTBWHWHEDHZON-GXSJLCMTSA-N -1 0 313.372 -0.855 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1csc(S(N)(=O)=O)c1 ZINC001434120120 1002272990 /nfs/dbraw/zinc/27/29/90/1002272990.db2.gz MJISYPNRRZWHSO-UHFFFAOYSA-N -1 0 318.336 -0.656 20 0 DBADRM Cn1ccnc1[C@@H](NC(=O)CCc1nnn[n-]1)C(C)(C)CO ZINC001434120685 1002275981 /nfs/dbraw/zinc/27/59/81/1002275981.db2.gz BRECSBHGRYIWPC-LLVKDONJSA-N -1 0 307.358 -0.258 20 0 DBADRM COC(=O)N1CC([N-]S(=O)(=O)N=S2(=O)CCCC2)C1 ZINC001414245978 1002281177 /nfs/dbraw/zinc/28/11/77/1002281177.db2.gz CDQFWWDMIXIJIY-UHFFFAOYSA-N -1 0 311.385 -0.467 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(COC(=O)CC(C)C)c(=O)n1C ZINC001591794059 1016595943 /nfs/dbraw/zinc/59/59/43/1016595943.db2.gz WQUQXWRXPWUVKO-UHFFFAOYSA-N -1 0 322.325 -0.418 20 0 DBADRM CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001414252151 1002284117 /nfs/dbraw/zinc/28/41/17/1002284117.db2.gz UCWPONGJZOVQDX-SCZZXKLOSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC2(C)COC2)c(=O)n1C1CC1 ZINC001591794010 1016597993 /nfs/dbraw/zinc/59/79/93/1016597993.db2.gz UITVKZCWGITBAZ-UHFFFAOYSA-N -1 0 318.337 -0.130 20 0 DBADRM COC(=O)[C@@H](Cc1ccncc1)NS(=O)(=O)c1ncc[n-]1 ZINC001414268260 1002296515 /nfs/dbraw/zinc/29/65/15/1002296515.db2.gz FLRSXPAAGXPJHA-SNVBAGLBSA-N -1 0 310.335 -0.133 20 0 DBADRM COC(=O)[C@@H](CCF)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001434152736 1002296912 /nfs/dbraw/zinc/29/69/12/1002296912.db2.gz UKAIQKSWTPVZTB-SNVBAGLBSA-N -1 0 322.300 -0.294 20 0 DBADRM COCc1n[nH]c(CNC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)n1 ZINC001434160904 1002298923 /nfs/dbraw/zinc/29/89/23/1002298923.db2.gz VRQBHNIPHQFEHK-UHFFFAOYSA-N -1 0 322.369 -0.044 20 0 DBADRM CO[C@@H](C)C(=O)NCc1cc(=O)[nH]c(CNC(=O)C2CC2)n1 ZINC001414268852 1002299619 /nfs/dbraw/zinc/29/96/19/1002299619.db2.gz OJNVCKBVMVQNPI-QMMMGPOBSA-N -1 0 308.338 -0.141 20 0 DBADRM COc1cccc(S(=O)(=O)NCc2nc(=O)o[n-]2)c1OC ZINC001414274228 1002301201 /nfs/dbraw/zinc/30/12/01/1002301201.db2.gz IJRISTXINZSQAE-UHFFFAOYSA-N -1 0 315.307 -0.141 20 0 DBADRM O=c1nc(CNS(=O)(=O)C[C@H]2CC3(CCC3)CO2)[n-]o1 ZINC001414276412 1002301749 /nfs/dbraw/zinc/30/17/49/1002301749.db2.gz UANLZJHSEMBUJF-MRVPVSSYSA-N -1 0 303.340 -0.259 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N[C@H]2C[C@@H](C)OC2=O)CC1 ZINC001414274691 1002301887 /nfs/dbraw/zinc/30/18/87/1002301887.db2.gz DVUGIHTZTFDLFS-BDAKNGLRSA-N -1 0 305.352 -0.047 20 0 DBADRM O=c1nc(CNS(=O)(=O)C[C@@H]2CC3(CCC3)CO2)[n-]o1 ZINC001414276415 1002302202 /nfs/dbraw/zinc/30/22/02/1002302202.db2.gz UANLZJHSEMBUJF-QMMMGPOBSA-N -1 0 303.340 -0.259 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)c1ccnn1C ZINC001414290459 1002307655 /nfs/dbraw/zinc/30/76/55/1002307655.db2.gz FEQQZGNZIHGCBU-MRVPVSSYSA-N -1 0 324.384 -0.804 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3COC[C@@H]32)n[nH]1 ZINC001414285737 1002307964 /nfs/dbraw/zinc/30/79/64/1002307964.db2.gz YRMGEXZUHGGUIN-SCZZXKLOSA-N -1 0 315.351 -0.004 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001591879407 1016608516 /nfs/dbraw/zinc/60/85/16/1016608516.db2.gz WWBDPRZXAFNFBK-SCZZXKLOSA-N -1 0 321.351 -0.810 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N[C@H](CO)c1cccnc1 ZINC001414310922 1002317494 /nfs/dbraw/zinc/31/74/94/1002317494.db2.gz RLTRGSDGJKIENW-DGIBIBHMSA-N -1 0 322.412 -0.476 20 0 DBADRM C[C@H]1CC[C@@H](NS(=O)(=O)c2nncn2C)CS1(=O)=O ZINC001414309745 1002317722 /nfs/dbraw/zinc/31/77/22/1002317722.db2.gz QGIPBCHEWCSOGO-JGVFFNPUSA-N -1 0 308.385 -0.941 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2nnn(C)n2)c(C(F)(F)F)n1 ZINC001414333915 1002331800 /nfs/dbraw/zinc/33/18/00/1002331800.db2.gz ZXWNMHCTWUNSTK-UHFFFAOYSA-N -1 0 311.249 -0.237 20 0 DBADRM CN(C(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1)c1nnn[n-]1 ZINC001434232096 1002332724 /nfs/dbraw/zinc/33/27/24/1002332724.db2.gz OUSOSKOTLFICFL-JTQLQIEISA-N -1 0 322.300 -0.979 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC(=O)C[C@@H]2C)n[nH]1 ZINC001414342285 1002332956 /nfs/dbraw/zinc/33/29/56/1002332956.db2.gz IYWMZOWQALGQGX-ZETCQYMHSA-N -1 0 301.324 -0.062 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)on1 ZINC001414349055 1002338205 /nfs/dbraw/zinc/33/82/05/1002338205.db2.gz DGMOMJCEZSWCEU-HYVHXENYSA-N -1 0 314.319 -0.085 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCOC[C@@]12CCOC2)C(=O)[O-] ZINC001591871193 1016605490 /nfs/dbraw/zinc/60/54/90/1016605490.db2.gz WKZNUUSASNRZDH-JSGCOSHPSA-N -1 0 300.355 -0.297 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCN(C[C@H](C)O)CC1)C(=O)[O-] ZINC001591870671 1016605692 /nfs/dbraw/zinc/60/56/92/1016605692.db2.gz POWUUJNQTIPSKJ-AAEUAGOBSA-N -1 0 301.387 -0.790 20 0 DBADRM CCCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001414357510 1002345925 /nfs/dbraw/zinc/34/59/25/1002345925.db2.gz PVGOQRNSAMBDFJ-NXEZZACHSA-N -1 0 310.354 -0.085 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@@H](CO)[C@@H](O)c1ccccn1 ZINC001434274922 1002351635 /nfs/dbraw/zinc/35/16/35/1002351635.db2.gz GJGTXRPQCZKFLV-GWCFXTLKSA-N -1 0 306.326 -0.872 20 0 DBADRM COc1ccccc1[C@H](O)C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001434273987 1002352169 /nfs/dbraw/zinc/35/21/69/1002352169.db2.gz ILKMOPAYCQQYJS-JQWIXIFHSA-N -1 0 319.321 -0.158 20 0 DBADRM Cc1cc(-c2nn[nH]n2)cnc1C(=O)[N-]n1ccc(=O)[nH]c1=O ZINC001591880777 1016607606 /nfs/dbraw/zinc/60/76/06/1016607606.db2.gz JRAZSDQZARXWRP-UHFFFAOYSA-N -1 0 314.265 -0.784 20 0 DBADRM O=C([C@@H]1CCCCS1(=O)=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001434278566 1002354468 /nfs/dbraw/zinc/35/44/68/1002354468.db2.gz WHHNGKYEYKNQEE-BDAKNGLRSA-N -1 0 315.355 -0.933 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@H]1CCC(=O)NC1)C(=O)[O-] ZINC001591873766 1016609111 /nfs/dbraw/zinc/60/91/11/1016609111.db2.gz WIYBIEYFSNPGGG-KWQFWETISA-N -1 0 300.311 -0.719 20 0 DBADRM CC(=O)NC[C@@]1(C)CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001434291262 1002360089 /nfs/dbraw/zinc/36/00/89/1002360089.db2.gz XFIAVRLFKTULJD-CYBMUJFWSA-N -1 0 309.326 -0.339 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)cn1 ZINC001434292131 1002360884 /nfs/dbraw/zinc/36/08/84/1002360884.db2.gz OYXJOIFKDCSPCX-ZJUUUORDSA-N -1 0 315.351 -0.979 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2cc(C)ncn2)c1[O-] ZINC001425744532 1002362339 /nfs/dbraw/zinc/36/23/39/1002362339.db2.gz QQJYJHMMUIXQHE-NSHDSACASA-N -1 0 320.353 -0.597 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001434302244 1002364648 /nfs/dbraw/zinc/36/46/48/1002364648.db2.gz SGXLCGCHFAJWCG-KWQFWETISA-N -1 0 322.369 -0.819 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001591894206 1016611116 /nfs/dbraw/zinc/61/11/16/1016611116.db2.gz CKTTVACAVSSHKA-GXFFZTMASA-N -1 0 301.343 -0.181 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCN3C(=O)OC[C@@H]3C2)n1 ZINC001591887648 1016611139 /nfs/dbraw/zinc/61/11/39/1016611139.db2.gz DFJIEQFWGHFIPR-QMMMGPOBSA-N -1 0 302.298 -0.394 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001591894584 1016611550 /nfs/dbraw/zinc/61/15/50/1016611550.db2.gz NOEFZPUPKIEYAD-CBAPKCEASA-N -1 0 303.315 -0.988 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](C)C(=O)NCc1ccccc1 ZINC001414447071 1002375660 /nfs/dbraw/zinc/37/56/60/1002375660.db2.gz JTTVKLUTTSFTSF-JTQLQIEISA-N -1 0 317.353 -0.059 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCS(=O)(=O)C[C@H]2C)n1 ZINC001591887599 1016611666 /nfs/dbraw/zinc/61/16/66/1016611666.db2.gz BGULBXXITXVWCT-MRVPVSSYSA-N -1 0 309.355 -0.412 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001591894583 1016611929 /nfs/dbraw/zinc/61/19/29/1016611929.db2.gz NOEFZPUPKIEYAD-APPZFPTMSA-N -1 0 303.315 -0.988 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001591894618 1016612946 /nfs/dbraw/zinc/61/29/46/1016612946.db2.gz RSISGJXMGFELHI-PWSUYJOCSA-N -1 0 323.353 -0.090 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N[C@@H](CO)CN2CCOCC2)n1 ZINC001591891796 1016613453 /nfs/dbraw/zinc/61/34/53/1016613453.db2.gz KGRRLKUHMIQMOG-SNVBAGLBSA-N -1 0 320.357 -0.930 20 0 DBADRM CCS(=O)(=O)NCC(=O)N(Cc1nnn[n-]1)CC(C)C ZINC001434328310 1002387653 /nfs/dbraw/zinc/38/76/53/1002387653.db2.gz UBMVPVCDDUPXCM-UHFFFAOYSA-N -1 0 304.376 -0.876 20 0 DBADRM CN1CCn2c(CNC(=O)c3ncccc3O)nnc2C1=O ZINC001434344613 1002402388 /nfs/dbraw/zinc/40/23/88/1002402388.db2.gz IRFGVOSYKWCFBN-UHFFFAOYSA-N -1 0 302.294 -0.606 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001425769840 1002403073 /nfs/dbraw/zinc/40/30/73/1002403073.db2.gz YBWOHGBRWAWELV-SECBINFHSA-N -1 0 308.346 -0.817 20 0 DBADRM NC(=O)c1cc(C(=O)N2CCC(Cc3nn[nH]n3)CC2)c[nH]1 ZINC001434345218 1002403105 /nfs/dbraw/zinc/40/31/05/1002403105.db2.gz KZGUSVDGBCTAST-UHFFFAOYSA-N -1 0 303.326 -0.278 20 0 DBADRM CC(C)[C@H](O)C(=O)N1[C@@H](C)SC[C@H]1C(=O)NCCC(=O)[O-] ZINC001591905208 1016616161 /nfs/dbraw/zinc/61/61/61/1016616161.db2.gz AHBQZTPGLBVZKR-YWVKMMECSA-N -1 0 318.395 -0.116 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N(C)CCS(N)(=O)=O)cc1=O ZINC001434351344 1002408339 /nfs/dbraw/zinc/40/83/39/1002408339.db2.gz WBHLOTOPOORIRU-UHFFFAOYSA-N -1 0 318.399 -0.878 20 0 DBADRM O=C(CN1CCCCS1(=O)=O)NC1(c2nnn[n-]2)CCC1 ZINC001434359262 1002414768 /nfs/dbraw/zinc/41/47/68/1002414768.db2.gz FGPXKYJKEDSWOK-UHFFFAOYSA-N -1 0 314.371 -0.879 20 0 DBADRM Cn1ncc(CCC(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)n1 ZINC001434366111 1002419171 /nfs/dbraw/zinc/41/91/71/1002419171.db2.gz YAAHDKJGOBBHBX-SNVBAGLBSA-N -1 0 304.358 -0.258 20 0 DBADRM COC[C@H](NC(=O)c1cc([C@H]2CCCN2C)n[nH]1)c1nnn[n-]1 ZINC001434365590 1002419278 /nfs/dbraw/zinc/41/92/78/1002419278.db2.gz YFTOHLPCIPUDCV-WDEREUQCSA-N -1 0 320.357 -0.193 20 0 DBADRM CC(C)c1cc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])nn1C ZINC001591925550 1016618505 /nfs/dbraw/zinc/61/85/05/1016618505.db2.gz AXONPMHXLXDTKO-LLVKDONJSA-N -1 0 308.338 -0.089 20 0 DBADRM COC[C@@H](OC)C(=O)N1CC[C@@H](NC(=O)c2ncccc2O)C1 ZINC001414568749 1002438879 /nfs/dbraw/zinc/43/88/79/1002438879.db2.gz SVJGCZPAXWWOMD-ZYHUDNBSSA-N -1 0 323.349 -0.221 20 0 DBADRM Cc1cc(C)nc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c1 ZINC001591956924 1016621518 /nfs/dbraw/zinc/62/15/18/1016621518.db2.gz RKCFXPWPABOECD-UHFFFAOYSA-N -1 0 313.325 -0.100 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H](CO)c2ncc[nH]2)cc1=O ZINC001434393548 1002442734 /nfs/dbraw/zinc/44/27/34/1002442734.db2.gz YYFIQXPEQCGXDC-NSHDSACASA-N -1 0 307.354 -0.052 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CC(NCC(F)(F)F)C1 ZINC001434403499 1002452143 /nfs/dbraw/zinc/45/21/43/1002452143.db2.gz GZAQEHWOCOTSOG-UHFFFAOYSA-N -1 0 309.248 -0.512 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)Nc1cnc2c(c1)CNC2=O ZINC001434412159 1002457981 /nfs/dbraw/zinc/45/79/81/1002457981.db2.gz UVVOYLPFTMAVNS-UHFFFAOYSA-N -1 0 306.307 -0.121 20 0 DBADRM Cc1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)cc2=O)n(C)n1 ZINC001592019102 1016624010 /nfs/dbraw/zinc/62/40/10/1016624010.db2.gz DIMAFDRYUOZLHZ-UHFFFAOYSA-N -1 0 315.297 -0.896 20 0 DBADRM Nc1c[nH]nc1[C@@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001434416287 1002460768 /nfs/dbraw/zinc/46/07/68/1002460768.db2.gz TUNVYLQEKNFZHA-ZCFIWIBFSA-N -1 0 309.355 -0.076 20 0 DBADRM Cc1cc(F)cc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001425811092 1002465322 /nfs/dbraw/zinc/46/53/22/1002465322.db2.gz KUEIQHHYWITJTF-LLVKDONJSA-N -1 0 323.328 -0.162 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)c1cccc(OCC(N)=O)c1 ZINC001434438434 1002470773 /nfs/dbraw/zinc/47/07/73/1002470773.db2.gz MRXPZWJFISTTCF-UHFFFAOYSA-N -1 0 306.278 -0.089 20 0 DBADRM Nc1nc2nc(CN3CCOC[C@@H]3[C@H]3CCCO3)cc(=O)n2[n-]1 ZINC001434468327 1002484167 /nfs/dbraw/zinc/48/41/67/1002484167.db2.gz BNLSXZHFITZLTR-GHMZBOCLSA-N -1 0 320.353 -0.620 20 0 DBADRM O=c1cc(CN2CC[C@H]3OCC(=O)N[C@@H]3C2)nc2cc[n-]n21 ZINC001434474044 1002490261 /nfs/dbraw/zinc/49/02/61/1002490261.db2.gz USWDRLXCIWFIMV-GHMZBOCLSA-N -1 0 303.322 -0.888 20 0 DBADRM Cc1cc(S(=O)(=O)N(C)CC(=O)[O-])ccc1-c1nn[nH]n1 ZINC001592064395 1016629284 /nfs/dbraw/zinc/62/92/84/1016629284.db2.gz ZOMXFMPFVKTLET-UHFFFAOYSA-N -1 0 311.323 -0.120 20 0 DBADRM Cc1cc(S(=O)(=O)N2CC(C(=O)[O-])C2)ccc1-c1nn[nH]n1 ZINC001592064078 1016629306 /nfs/dbraw/zinc/62/93/06/1016629306.db2.gz RNZRGXKITCSNKZ-UHFFFAOYSA-N -1 0 323.334 -0.120 20 0 DBADRM Cc1ccc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c(=O)[nH]1 ZINC001592127847 1016630627 /nfs/dbraw/zinc/63/06/27/1016630627.db2.gz ZDLRCDBNGNKEOC-UHFFFAOYSA-N -1 0 315.297 -0.703 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)[C@@H]1CC(=O)NC(=O)N1)c1cccnc1 ZINC001592296789 1016640839 /nfs/dbraw/zinc/64/08/39/1016640839.db2.gz AEZLFSINXXDBEN-XPTSAGLGSA-N -1 0 320.305 -0.514 20 0 DBADRM Cc1noc([C@@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)n1 ZINC001434549983 1002518263 /nfs/dbraw/zinc/51/82/63/1002518263.db2.gz RSMNWFHTZPVEKK-FWCARGHBSA-N -1 0 311.389 -0.152 20 0 DBADRM CC(C)n1cc(Cn2cnc3c(cnn3CC(=O)[O-])c2=O)nn1 ZINC001592131553 1016632273 /nfs/dbraw/zinc/63/22/73/1016632273.db2.gz KQZXJQHLJNEJMQ-UHFFFAOYSA-N -1 0 317.309 -0.102 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC(=O)NC1CC1 ZINC001434547732 1002518559 /nfs/dbraw/zinc/51/85/59/1002518559.db2.gz NRDWMKZVIFZNGE-GOSISDBHSA-N -1 0 311.429 -0.004 20 0 DBADRM Cc1ccc(N(C)C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)nn1 ZINC001592175120 1016632586 /nfs/dbraw/zinc/63/25/86/1016632586.db2.gz HPFVATPIERHWDA-QMMMGPOBSA-N -1 0 314.313 -0.219 20 0 DBADRM C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F)C(N)=O ZINC001434560592 1002526423 /nfs/dbraw/zinc/52/64/23/1002526423.db2.gz CLFGBCRQQVIFLI-QOLSBQFWSA-N -1 0 323.371 -0.009 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)CN(C)c1ncnc2nc[nH]c21 ZINC001592192541 1016634659 /nfs/dbraw/zinc/63/46/59/1016634659.db2.gz NVJFMUFKXRBTNG-RTMURIBGSA-N -1 0 304.310 -0.065 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1noc(C2CC2)n1 ZINC001434565468 1002532085 /nfs/dbraw/zinc/53/20/85/1002532085.db2.gz KRISHOLUNQBJKO-MRVPVSSYSA-N -1 0 319.339 -0.710 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-][C@@H](CO)[C@H]1CCOC1 ZINC001434568932 1002534145 /nfs/dbraw/zinc/53/41/45/1002534145.db2.gz ZSSPHFMDNWEPKX-UWVGGRQHSA-N -1 0 312.413 -0.520 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1cc(S(N)(=O)=O)cn1C ZINC001592206984 1016635224 /nfs/dbraw/zinc/63/52/24/1016635224.db2.gz XHWAODHPSQICPR-SDLBARTOSA-N -1 0 301.324 -0.568 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)CSCC(=O)N1CCOCC1 ZINC001592199564 1016635442 /nfs/dbraw/zinc/63/54/42/1016635442.db2.gz BQJRQMAGWKTNSK-ZMWSMAPVSA-N -1 0 316.379 -0.276 20 0 DBADRM COc1cc(CS(=O)(=O)NCc2nc(=O)o[n-]2)sn1 ZINC001434574486 1002536530 /nfs/dbraw/zinc/53/65/30/1002536530.db2.gz SKXHXQFZZSMOLC-UHFFFAOYSA-N -1 0 306.325 -0.552 20 0 DBADRM COCC[C@H](COC)NS(=O)(=O)c1cc(C(=O)OC)[nH]n1 ZINC001434574272 1002538404 /nfs/dbraw/zinc/53/84/04/1002538404.db2.gz OARBOINXIRDQKR-MRVPVSSYSA-N -1 0 321.355 -0.474 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC001592194174 1016635816 /nfs/dbraw/zinc/63/58/16/1016635816.db2.gz TUYRLVWVFCLUMB-HIHHVFROSA-N -1 0 306.322 -0.082 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)CC1(n2cnnn2)CCOCC1 ZINC001592192090 1016635939 /nfs/dbraw/zinc/63/59/39/1016635939.db2.gz LRQVSBCIEFQDKB-MXQLGCADSA-N -1 0 309.326 -0.286 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@H]1CCN(C(=O)C2CC2)C1 ZINC001414787036 1002549619 /nfs/dbraw/zinc/54/96/19/1002549619.db2.gz OVKJSJPHXVTQOH-VIFPVBQESA-N -1 0 321.337 -0.658 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)n1 ZINC001434608447 1002551880 /nfs/dbraw/zinc/55/18/80/1002551880.db2.gz AVIAMTLUFGAESE-UHFFFAOYSA-N -1 0 322.350 -0.524 20 0 DBADRM C[C@@H](CC(=O)N[C@@H](Cn1cncn1)C(=O)[O-])c1cnn(C)c1 ZINC001592247035 1016637794 /nfs/dbraw/zinc/63/77/94/1016637794.db2.gz XYMYPEHTKLZMLA-ONGXEEELSA-N -1 0 306.326 -0.225 20 0 DBADRM Cc1ccn(CC(=O)N=S(C)(C)=O)c(=O)c1-c1nnn[n-]1 ZINC001592265384 1016639495 /nfs/dbraw/zinc/63/94/95/1016639495.db2.gz VBMFPHRNSINVMN-UHFFFAOYSA-N -1 0 310.339 -0.409 20 0 DBADRM C[C@H](CC(=O)N(C)CCNc1ncc(C(=O)[O-])cn1)NC(N)=O ZINC001592226385 1016639635 /nfs/dbraw/zinc/63/96/35/1016639635.db2.gz XDJXOOQOBOSYCL-MRVPVSSYSA-N -1 0 324.341 -0.508 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)CN1CC(=O)NC1=O)c1ccccn1 ZINC001592282651 1016641972 /nfs/dbraw/zinc/64/19/72/1016641972.db2.gz MPOSMINAFGJGLJ-AWEZNQCLSA-N -1 0 320.305 -0.561 20 0 DBADRM O=C(CC1CC1)N[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001414878155 1002580470 /nfs/dbraw/zinc/58/04/70/1002580470.db2.gz GKYLLSDSXFAUMF-SECBINFHSA-N -1 0 321.337 -0.293 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCS(=O)(=O)C(C)(C)C ZINC001434729856 1002581050 /nfs/dbraw/zinc/58/10/50/1002581050.db2.gz JLQJLROAFDLPHI-UHFFFAOYSA-N -1 0 304.376 -0.550 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC001434730451 1002581074 /nfs/dbraw/zinc/58/10/74/1002581074.db2.gz UJYJTODOYSPGSY-JGVFFNPUSA-N -1 0 302.360 -0.798 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC1(CS(C)(=O)=O)CC1 ZINC001434729637 1002581128 /nfs/dbraw/zinc/58/11/28/1002581128.db2.gz HFIFYSWIXHGPLN-UHFFFAOYSA-N -1 0 302.360 -0.939 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](c1nccn1C)C(C)(C)CO ZINC001434730480 1002581145 /nfs/dbraw/zinc/58/11/45/1002581145.db2.gz VWUNVMUFSDEOQW-SECBINFHSA-N -1 0 322.373 -0.270 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)Cn1cnc(N)n1)c1cccnc1 ZINC001592290487 1016642309 /nfs/dbraw/zinc/64/23/09/1016642309.db2.gz QNSADAYFEKKVKT-ZDUSSCGKSA-N -1 0 304.310 -0.238 20 0 DBADRM Cc1ccn(Cc2nc(N(C)C)no2)c(=O)c1-c1nnn[n-]1 ZINC001592265932 1016643346 /nfs/dbraw/zinc/64/33/46/1016643346.db2.gz QKZCZSUYIXNJGA-UHFFFAOYSA-N -1 0 302.298 -0.166 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)CS(C)(=O)=O)c1cccnc1 ZINC001592292017 1016643606 /nfs/dbraw/zinc/64/36/06/1016643606.db2.gz ZWTYDDFVZGIHOP-LBPRGKRZSA-N -1 0 300.336 -0.068 20 0 DBADRM CCCC(=O)N[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001414936467 1002598863 /nfs/dbraw/zinc/59/88/63/1002598863.db2.gz DZCUJJRMFKYOMH-VIFPVBQESA-N -1 0 323.353 -0.267 20 0 DBADRM Cc1n[nH]c(C)c1CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001592325274 1016645035 /nfs/dbraw/zinc/64/50/35/1016645035.db2.gz HHKBPENHOFFFGK-QMMMGPOBSA-N -1 0 316.329 -0.324 20 0 DBADRM C[C@@](CC(=O)[O-])(NCc1cn(CC(N)=O)nn1)c1ccncc1 ZINC001592329733 1016647717 /nfs/dbraw/zinc/64/77/17/1016647717.db2.gz LUOZFTNBTIXKPM-AWEZNQCLSA-N -1 0 318.337 -0.362 20 0 DBADRM C[C@]1(NC(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)CCOC1=O ZINC001434841700 1002642608 /nfs/dbraw/zinc/64/26/08/1002642608.db2.gz VFACWAPCYUFAGO-XPTSAGLGSA-N -1 0 321.337 -0.234 20 0 DBADRM Cc1nc(C)c(C(=O)Cn2cnc(-c3nnn[n-]3)cc2=O)o1 ZINC001592353264 1016655319 /nfs/dbraw/zinc/65/53/19/1016655319.db2.gz LPXCOVRLZYHNSF-UHFFFAOYSA-N -1 0 301.266 -0.089 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)O[C@@H](C)C(=O)NCCN1CCOCC1 ZINC001592366915 1016655549 /nfs/dbraw/zinc/65/55/49/1016655549.db2.gz FIUDKTOOPPXVCV-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC001592367292 1016655702 /nfs/dbraw/zinc/65/57/02/1016655702.db2.gz MCXIUMJHJWPLLZ-RKDXNWHRSA-N -1 0 314.338 -0.247 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)NCC(=O)NCCN1CCOCC1 ZINC001592385323 1016656004 /nfs/dbraw/zinc/65/60/04/1016656004.db2.gz NNNCVJDOYLAYRI-LLVKDONJSA-N -1 0 315.370 -0.948 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001495595631 1016657148 /nfs/dbraw/zinc/65/71/48/1016657148.db2.gz SYQIZMGJECJPDP-SECBINFHSA-N -1 0 324.385 -0.408 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C(=O)NCC(F)F)CC1 ZINC001592406447 1016659196 /nfs/dbraw/zinc/65/91/96/1016659196.db2.gz RXXIBLBUJZFAHC-QMMMGPOBSA-N -1 0 307.297 -0.625 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001436464877 1002721015 /nfs/dbraw/zinc/72/10/15/1002721015.db2.gz NGKZOHSMMJJWHR-MRTMQBJTSA-N -1 0 310.358 -0.886 20 0 DBADRM CC(C)C(=O)N[C@@H](C)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001415196143 1002733839 /nfs/dbraw/zinc/73/38/39/1002733839.db2.gz HLDCOWUTHVPWMD-VIFPVBQESA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1nn(C[C@]2(O)CCCOC2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592435895 1016664159 /nfs/dbraw/zinc/66/41/59/1016664159.db2.gz DJKNSFPYPNVOET-CYBMUJFWSA-N -1 0 306.326 -0.418 20 0 DBADRM Cc1ncsc1Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C)c1=O ZINC001592425877 1016664762 /nfs/dbraw/zinc/66/47/62/1016664762.db2.gz KNWUSBJSUZJHFU-UHFFFAOYSA-N -1 0 319.350 -0.151 20 0 DBADRM C[C@H](CC(=O)[O-])S(=O)(=O)CC(=O)N1CCOC(C)(C)C1 ZINC001592421465 1016665935 /nfs/dbraw/zinc/66/59/35/1016665935.db2.gz YVUYZCMBMWPJJM-SECBINFHSA-N -1 0 307.368 -0.098 20 0 DBADRM Cc1nn(CC(=O)N2CCCC2=O)c(=O)c(-c2nnn[n-]2)c1C ZINC001592436403 1016670877 /nfs/dbraw/zinc/67/08/77/1016670877.db2.gz ZTOXLDOMEJSHHQ-UHFFFAOYSA-N -1 0 317.309 -0.811 20 0 DBADRM COC[C@@H](OC)C(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001415260448 1002785334 /nfs/dbraw/zinc/78/53/34/1002785334.db2.gz QJPPZSWJDHLHMA-IONNQARKSA-N -1 0 314.342 -0.680 20 0 DBADRM Cc1noc(C)c1CN(C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001592458263 1016672350 /nfs/dbraw/zinc/67/23/50/1016672350.db2.gz PJLGAOSMQCDKFQ-UHFFFAOYSA-N -1 0 317.313 -0.278 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001592451610 1016673762 /nfs/dbraw/zinc/67/37/62/1016673762.db2.gz GJOVBRNEZMDTEY-UJNFCWOMSA-N -1 0 321.337 -0.255 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)NC/C=C\CNc1ccnc(C(=O)[O-])n1 ZINC001592452174 1016675382 /nfs/dbraw/zinc/67/53/82/1016675382.db2.gz KZRJDEDPZBMHTF-XADBCAIWSA-N -1 0 321.337 -0.808 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)c2cn(C)nn2)c1[O-] ZINC001426445465 1002803682 /nfs/dbraw/zinc/80/36/82/1002803682.db2.gz ZCZNUUNXIAIOMX-RQJHMYQMSA-N -1 0 321.341 -0.511 20 0 DBADRM C[C@@](CCF)(NC(=O)CN1CCCCS1(=O)=O)C(=O)[O-] ZINC001592494861 1016678952 /nfs/dbraw/zinc/67/89/52/1016678952.db2.gz DLAPGIRBPHXZCZ-NSHDSACASA-N -1 0 310.347 -0.269 20 0 DBADRM C[C@@](CCF)(NCc1nc(CS(C)(=O)=O)no1)C(=O)[O-] ZINC001592505825 1016680351 /nfs/dbraw/zinc/68/03/51/1016680351.db2.gz GODRVRPXMVMIBH-JTQLQIEISA-N -1 0 309.319 -0.093 20 0 DBADRM CS[C@H](C)C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415452158 1002839577 /nfs/dbraw/zinc/83/95/77/1002839577.db2.gz NGHKEPNZTNWABP-ZCFIWIBFSA-N -1 0 315.355 -0.778 20 0 DBADRM C[C@@H](CCNC(=O)Cc1nc[nH]n1)Nc1ncc(C(=O)[O-])cn1 ZINC001592512791 1016681454 /nfs/dbraw/zinc/68/14/54/1016681454.db2.gz FKSWOZZAQIXRCE-QMMMGPOBSA-N -1 0 319.325 -0.158 20 0 DBADRM CC(C)[C@@H](O)C(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001437030149 1002845585 /nfs/dbraw/zinc/84/55/85/1002845585.db2.gz HMUPBDVZPYWTME-ZYHUDNBSSA-N -1 0 311.386 -0.002 20 0 DBADRM C[C@H](CNC(=O)C1=CCCC1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001426628199 1002846387 /nfs/dbraw/zinc/84/63/87/1002846387.db2.gz VEFYSGQRQFLZHV-SECBINFHSA-N -1 0 323.353 -0.237 20 0 DBADRM Cc1nn(C)cc1C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001415463575 1002846706 /nfs/dbraw/zinc/84/67/06/1002846706.db2.gz SWJIXHOMYRSWIZ-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)C2=CCOCC2)c1[O-] ZINC001415474117 1002851085 /nfs/dbraw/zinc/85/10/85/1002851085.db2.gz WOOCNBNBDLLPIP-UHFFFAOYSA-N -1 0 308.338 -0.041 20 0 DBADRM C[C@@H](CCNC(=O)c1ccn(C)n1)Nc1ccnc(C(=O)[O-])n1 ZINC001592521654 1016686369 /nfs/dbraw/zinc/68/63/69/1016686369.db2.gz XRBDQKHTHIJSMD-VIFPVBQESA-N -1 0 318.337 -0.049 20 0 DBADRM Cn1c(=O)[nH]c(NCC(C)(C)CCCO)c(-c2nnn[n-]2)c1=O ZINC001592545592 1016687754 /nfs/dbraw/zinc/68/77/54/1016687754.db2.gz FUTKWTRRZKELEZ-UHFFFAOYSA-N -1 0 323.357 -0.123 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@@H](C)CCNc1ncc(C(=O)[O-])cn1 ZINC001592531530 1016688464 /nfs/dbraw/zinc/68/84/64/1016688464.db2.gz YXEPNPJNBYECLT-BDAKNGLRSA-N -1 0 323.353 -0.007 20 0 DBADRM Cn1c(=O)[nH]c(N2CCC[C@](C)(F)C2)c(-c2nnn[n-]2)c1=O ZINC001592543331 1016688686 /nfs/dbraw/zinc/68/86/86/1016688686.db2.gz IJQLNPGOXBUSBI-LBPRGKRZSA-N -1 0 309.305 -0.418 20 0 DBADRM CN(C[C@H]1CCN1C(=O)C1CCC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001426800769 1002892571 /nfs/dbraw/zinc/89/25/71/1002892571.db2.gz LTUZFYSLAGDTGR-SNVBAGLBSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1CCNC1=O ZINC001592531263 1016689089 /nfs/dbraw/zinc/68/90/89/1016689089.db2.gz WQJPBEZGHPGJCX-BDAKNGLRSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001592531192 1016689356 /nfs/dbraw/zinc/68/93/56/1016689356.db2.gz USBYPDTUUNKCJK-SCZZXKLOSA-N -1 0 321.337 -0.240 20 0 DBADRM C[C@H](CCO)CCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001592531012 1016689729 /nfs/dbraw/zinc/68/97/29/1016689729.db2.gz QAKXSQBVGDCIQT-QWRGUYRKSA-N -1 0 300.355 -0.166 20 0 DBADRM COC[C@@H](OC)C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001415608581 1002898085 /nfs/dbraw/zinc/89/80/85/1002898085.db2.gz OUJNEYPQZAPRIZ-SECBINFHSA-N -1 0 314.342 -0.727 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2CCC(C)(C)CO2)c1=O ZINC001592557733 1016696035 /nfs/dbraw/zinc/69/60/35/1016696035.db2.gz FODVOZXLPFHWPK-SECBINFHSA-N -1 0 320.353 -0.068 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)[C@H]1CCC(=O)N1 ZINC001415657610 1002934225 /nfs/dbraw/zinc/93/42/25/1002934225.db2.gz ORXDPDCMORUQRE-SECBINFHSA-N -1 0 323.353 -0.719 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2CCC[C@@H](F)C2)n(C)c1=O ZINC001592556035 1016695598 /nfs/dbraw/zinc/69/55/98/1016695598.db2.gz YCMAZAXFIQQBBV-SFYZADRCSA-N -1 0 323.332 -0.043 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H](O)CC2CCCC2)c1=O ZINC001592557861 1016697129 /nfs/dbraw/zinc/69/71/29/1016697129.db2.gz GKDJCRPDPNDFCN-JTQLQIEISA-N -1 0 320.353 -0.332 20 0 DBADRM Cn1c2ccccc2nc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001592556008 1016697596 /nfs/dbraw/zinc/69/75/96/1016697596.db2.gz XJOYJMHVVBHFGA-UHFFFAOYSA-N -1 0 324.308 -0.016 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H](O)C2CCCCC2)c1=O ZINC001592558158 1016697741 /nfs/dbraw/zinc/69/77/41/1016697741.db2.gz QRNYXLROUSLHID-LLVKDONJSA-N -1 0 320.353 -0.332 20 0 DBADRM C[S@@](=O)CCNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001426939401 1002963269 /nfs/dbraw/zinc/96/32/69/1002963269.db2.gz GCXYRQWNIULZPP-FFVOIRBGSA-N -1 0 301.372 -0.222 20 0 DBADRM Cn1cc(-c2nn[nH]n2)cc1C(=O)[N-]S(=O)(=O)CC(F)F ZINC001592561517 1016702853 /nfs/dbraw/zinc/70/28/53/1016702853.db2.gz GNDQQIXNFBPRCQ-UHFFFAOYSA-N -1 0 320.281 -0.470 20 0 DBADRM CCCC(=O)N[C@@H](C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001426993966 1002980628 /nfs/dbraw/zinc/98/06/28/1002980628.db2.gz QDQLHSVWMLXKCA-VIFPVBQESA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)N1CCCCC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001426991187 1002982514 /nfs/dbraw/zinc/98/25/14/1002982514.db2.gz KDGRICNUCZIRQS-SNVBAGLBSA-N -1 0 311.342 -0.403 20 0 DBADRM Cn1cc(C=O)cc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592566692 1016704763 /nfs/dbraw/zinc/70/47/63/1016704763.db2.gz FRPPRLBRZOTPEU-UHFFFAOYSA-N -1 0 315.297 -0.961 20 0 DBADRM C[C@@H](CN(C)C(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001592578704 1016709179 /nfs/dbraw/zinc/70/91/79/1016709179.db2.gz BJNMOHMYULRPAT-ZETCQYMHSA-N -1 0 301.324 -0.478 20 0 DBADRM CCCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@H]1C[C@@H]1C ZINC001415814631 1003014613 /nfs/dbraw/zinc/01/46/13/1003014613.db2.gz XQTYYTALWPLUHZ-IUCAKERBSA-N -1 0 323.353 -0.093 20 0 DBADRM Cn1ncc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1Cl ZINC001592600969 1016719003 /nfs/dbraw/zinc/71/90/03/1016719003.db2.gz LAHDZRACAAOSQQ-UHFFFAOYSA-N -1 0 308.693 -0.516 20 0 DBADRM Cn1ccnc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592585932 1016710402 /nfs/dbraw/zinc/71/04/02/1016710402.db2.gz NSYNWVCXKGSZJA-UHFFFAOYSA-N -1 0 309.311 -0.328 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cn(C)cn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592578698 1016711691 /nfs/dbraw/zinc/71/16/91/1016711691.db2.gz AXHDGIWSKQPODD-VIFPVBQESA-N -1 0 318.337 -0.097 20 0 DBADRM C[C@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)C1(C(N)=O)CC1 ZINC001592588951 1016711987 /nfs/dbraw/zinc/71/19/87/1016711987.db2.gz UAKIPUWHELBQDF-MRVPVSSYSA-N -1 0 321.337 -0.619 20 0 DBADRM Cn1cnc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001592587710 1016712532 /nfs/dbraw/zinc/71/25/32/1016712532.db2.gz LZYQHDXMZMGXDC-UHFFFAOYSA-N -1 0 309.311 -0.328 20 0 DBADRM C[C@@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)c1cnn(C)n1 ZINC001592594267 1016713487 /nfs/dbraw/zinc/71/34/87/1016713487.db2.gz ZYUDNLJCAIYCIV-QMMMGPOBSA-N -1 0 319.325 -0.442 20 0 DBADRM C[C@H](CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1)C(=O)[O-] ZINC001592592526 1016716293 /nfs/dbraw/zinc/71/62/93/1016716293.db2.gz FVUCDBMMJUVVOB-ZJUUUORDSA-N -1 0 318.395 -0.525 20 0 DBADRM C[C@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)c1cnnn1C ZINC001592593422 1016716688 /nfs/dbraw/zinc/71/66/88/1016716688.db2.gz GPDCPEXHILHHQE-MRVPVSSYSA-N -1 0 319.325 -0.442 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ccns1 ZINC001437545021 1003063673 /nfs/dbraw/zinc/06/36/73/1003063673.db2.gz AMWFPYGJSYTJQT-UHFFFAOYSA-N -1 0 312.355 -0.606 20 0 DBADRM Cn1cnnc1SCC(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001592592340 1016717830 /nfs/dbraw/zinc/71/78/30/1016717830.db2.gz ZKJFCRIKRJAFJL-UHFFFAOYSA-N -1 0 306.315 -0.551 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)Cn1cccn1 ZINC001592623708 1016730820 /nfs/dbraw/zinc/73/08/20/1016730820.db2.gz BXLLYPJNZSPKSS-QWRGUYRKSA-N -1 0 308.338 -0.432 20 0 DBADRM CCN(CCNC(=O)c1csc(=O)[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001437621070 1003094993 /nfs/dbraw/zinc/09/49/93/1003094993.db2.gz QXVQIYDHQKVIFS-UHFFFAOYSA-N -1 0 312.355 -0.076 20 0 DBADRM CCC[C@H](C)C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001416031058 1003105998 /nfs/dbraw/zinc/10/59/98/1003105998.db2.gz GWUQSVCIQSLFBU-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)n1 ZINC001592609214 1016724412 /nfs/dbraw/zinc/72/44/12/1016724412.db2.gz NPZVGMJNPOHWTK-UHFFFAOYSA-N -1 0 307.299 -0.809 20 0 DBADRM CC(=O)NC[C@H](C1CC1)N(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001427413249 1003107781 /nfs/dbraw/zinc/10/77/81/1003107781.db2.gz PKKXJGXTMQAWFH-LLVKDONJSA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@H](CN(C)C(=O)CC1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001427437429 1003119422 /nfs/dbraw/zinc/11/94/22/1003119422.db2.gz UBHQZSMJEPPRGL-SECBINFHSA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@@H](CN(C)C(=O)CC1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001427437437 1003119656 /nfs/dbraw/zinc/11/96/56/1003119656.db2.gz UBHQZSMJEPPRGL-VIFPVBQESA-N -1 0 322.365 -0.137 20 0 DBADRM CNC(=O)COc1cccc(CC(=O)N(C)c2nnn[n-]2)c1 ZINC001437665533 1003127409 /nfs/dbraw/zinc/12/74/09/1003127409.db2.gz JREAZIOJQRLSGY-UHFFFAOYSA-N -1 0 304.310 -0.470 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)c1ccccc1 ZINC001592625471 1016729460 /nfs/dbraw/zinc/72/94/60/1016729460.db2.gz SYPFBSMPEXNTMK-JTQLQIEISA-N -1 0 306.318 -0.436 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001592624498 1016729954 /nfs/dbraw/zinc/72/99/54/1016729954.db2.gz JRHHZZDQSHCOJT-SECBINFHSA-N -1 0 324.308 -0.297 20 0 DBADRM CC[C@@H](C)C(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001416069858 1003147646 /nfs/dbraw/zinc/14/76/46/1003147646.db2.gz HDHKZQRAPLEPSC-MRVPVSSYSA-N -1 0 311.342 -0.690 20 0 DBADRM C[C@H](CN(C)C(=O)C(F)F)NC(=O)c1cnc([O-])n(C)c1=O ZINC001427495925 1003154779 /nfs/dbraw/zinc/15/47/79/1003154779.db2.gz BMMAFLOBEVEOGY-ZCFIWIBFSA-N -1 0 318.280 -0.672 20 0 DBADRM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])nn1)S(C)(=O)=O ZINC001592681490 1016740758 /nfs/dbraw/zinc/74/07/58/1016740758.db2.gz AOPFYQKYBJBPHT-LURJTMIESA-N -1 0 302.312 -0.271 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001437712367 1003165057 /nfs/dbraw/zinc/16/50/57/1003165057.db2.gz NMGQLNGJBRUTJR-UWVGGRQHSA-N -1 0 324.385 -0.637 20 0 DBADRM C[C@H](CN1CCOCC1)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001592623766 1016731137 /nfs/dbraw/zinc/73/11/37/1016731137.db2.gz DRNGIBVMVXCVMG-UTUOFQBUSA-N -1 0 320.411 -0.120 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001592624469 1016731601 /nfs/dbraw/zinc/73/16/01/1016731601.db2.gz PEKWYAYEYLYRPM-IJLUTSLNSA-N -1 0 315.370 -0.504 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)Cn1cccn1 ZINC001592623709 1016732331 /nfs/dbraw/zinc/73/23/31/1016732331.db2.gz BXLLYPJNZSPKSS-WDEREUQCSA-N -1 0 308.338 -0.432 20 0 DBADRM C[C@H](CNC(=O)/C=C/c1ccc(C(=O)[O-])o1)S(N)(=O)=O ZINC001592645789 1016733134 /nfs/dbraw/zinc/73/31/34/1016733134.db2.gz LGIPNHQXQZGYDR-OHCKJTPYSA-N -1 0 302.308 -0.216 20 0 DBADRM C[C@@](CNC(=O)[C@H](CO)NC(N)=O)(C(=O)[O-])c1ccccc1 ZINC001592636446 1016733984 /nfs/dbraw/zinc/73/39/84/1016733984.db2.gz WEWXJJAZSRCWPE-HZMBPMFUSA-N -1 0 309.322 -0.826 20 0 DBADRM C[C@@H](CNC(=O)/C=C\c1ccc(C(=O)[O-])o1)S(N)(=O)=O ZINC001592645787 1016734044 /nfs/dbraw/zinc/73/40/44/1016734044.db2.gz LGIPNHQXQZGYDR-GLCRXLCDSA-N -1 0 302.308 -0.216 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)Nc1ncc(C(=O)[O-])cn1 ZINC001592647221 1016734495 /nfs/dbraw/zinc/73/44/95/1016734495.db2.gz AVZUJXGINQMZBF-DTWKUNHWSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H](CNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C)C(=O)[O-] ZINC001592660116 1016736133 /nfs/dbraw/zinc/73/61/33/1016736133.db2.gz MGVXDHVABZSOQJ-UWVGGRQHSA-N -1 0 301.343 -0.103 20 0 DBADRM C[C@H](CNC(=O)CCc1ocnc1C(=O)[O-])S(C)(=O)=O ZINC001592651000 1016736447 /nfs/dbraw/zinc/73/64/47/1016736447.db2.gz QVJPFAHZUPDDJA-SSDOTTSWSA-N -1 0 304.324 -0.145 20 0 DBADRM C[C@H](CNC(=O)NCC1(CC(=O)[O-])CCCC1)S(N)(=O)=O ZINC001592665834 1016736541 /nfs/dbraw/zinc/73/65/41/1016736541.db2.gz NMGKYSIYKRLARK-SECBINFHSA-N -1 0 321.399 -0.002 20 0 DBADRM CCOCC(=O)NCCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001495824657 1016736644 /nfs/dbraw/zinc/73/66/44/1016736644.db2.gz YIYHNOSBKOESGL-UHFFFAOYSA-N -1 0 321.337 -0.753 20 0 DBADRM C[C@@H](CN(C)C(=O)C1(C)CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001427574889 1003210383 /nfs/dbraw/zinc/21/03/83/1003210383.db2.gz ALAHWQPXDJMYJY-VIFPVBQESA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@H](CNC(=O)Cc1ccn(C)n1)Nc1ccnc(C(=O)[O-])n1 ZINC001592653528 1016737801 /nfs/dbraw/zinc/73/78/01/1016737801.db2.gz GTHNMEIWGGQJLO-SECBINFHSA-N -1 0 318.337 -0.511 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001437783758 1003217975 /nfs/dbraw/zinc/21/79/75/1003217975.db2.gz CPKJBGGMLUFTJI-SECBINFHSA-N -1 0 324.385 -0.494 20 0 DBADRM CCC(=O)N[C@@H](C)CN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001427622453 1003228464 /nfs/dbraw/zinc/22/84/64/1003228464.db2.gz VLUUYDARDZXMQV-QMMMGPOBSA-N -1 0 311.342 -0.412 20 0 DBADRM COc1nc(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)co1 ZINC001437801819 1003229030 /nfs/dbraw/zinc/22/90/30/1003229030.db2.gz YLSKIYFOXFOIRI-UHFFFAOYSA-N -1 0 322.325 -0.099 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592692143 1016745844 /nfs/dbraw/zinc/74/58/44/1016745844.db2.gz FKLPUHIWBIJSPU-ZQARSLAVSA-N -1 0 307.310 -0.787 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)Cn1ccnc1 ZINC001416202147 1003249021 /nfs/dbraw/zinc/24/90/21/1003249021.db2.gz NCAOSKFUSDCQAV-JTQLQIEISA-N -1 0 320.353 -0.055 20 0 DBADRM C[C@H](CNC(=O)c1cn[nH]c(=O)c1)Nc1ncc(C(=O)[O-])cn1 ZINC001592700883 1016748887 /nfs/dbraw/zinc/74/88/87/1016748887.db2.gz AQPCGBFLVKEJPK-SSDOTTSWSA-N -1 0 318.293 -0.099 20 0 DBADRM C[C@H](CNC(=O)c1cnon1)CNc1ccnc(C(=O)[O-])n1 ZINC001592706635 1016750540 /nfs/dbraw/zinc/75/05/40/1016750540.db2.gz QZLIABOLNAWVED-ZETCQYMHSA-N -1 0 306.282 -0.542 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)Cn2cncn2)c1[O-] ZINC001427704857 1003275808 /nfs/dbraw/zinc/27/58/08/1003275808.db2.gz BTGDTHFBHNADNL-MRVPVSSYSA-N -1 0 321.341 -0.708 20 0 DBADRM C[C@H](CNC(=O)c1cnn(C)c1)CNc1ccnc(C(=O)[O-])n1 ZINC001592706643 1016751782 /nfs/dbraw/zinc/75/17/82/1016751782.db2.gz RLGBFQNSNIUIMS-VIFPVBQESA-N -1 0 318.337 -0.192 20 0 DBADRM C[C@H](CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)n1ccnc1 ZINC001438078726 1003341772 /nfs/dbraw/zinc/34/17/72/1003341772.db2.gz ARLFJWOPWKBHFX-SECBINFHSA-N -1 0 305.342 -0.342 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438089448 1003347708 /nfs/dbraw/zinc/34/77/08/1003347708.db2.gz YFBLHPONDNRCAX-NSHDSACASA-N -1 0 324.385 -0.639 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CCC1 ZINC001592718758 1016763881 /nfs/dbraw/zinc/76/38/81/1016763881.db2.gz DPXOSHDVCJMZNW-UHFFFAOYSA-N -1 0 312.311 -0.854 20 0 DBADRM CC(C)n1nccc1C(=O)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001427831116 1003389755 /nfs/dbraw/zinc/38/97/55/1003389755.db2.gz QKDNFHGTCOOYKB-VIFPVBQESA-N -1 0 321.341 -0.897 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)N(C)C(=O)Cc1nnc[nH]1 ZINC001592728141 1016770593 /nfs/dbraw/zinc/77/05/93/1016770593.db2.gz ANESHCRQOSKKEO-QMMMGPOBSA-N -1 0 319.325 -0.206 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001416750158 1003461108 /nfs/dbraw/zinc/46/11/08/1003461108.db2.gz PMTQFTVCFJGBMA-YUMQZZPRSA-N -1 0 302.306 -0.621 20 0 DBADRM C[C@@](CO)(NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-] ZINC001592733860 1016780697 /nfs/dbraw/zinc/78/06/97/1016780697.db2.gz JAHIQAGQGLZMGL-XPTSAGLGSA-N -1 0 310.306 -0.420 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1ccnnc1 ZINC001592730050 1016775778 /nfs/dbraw/zinc/77/57/78/1016775778.db2.gz RFZVFEBGHYEUKW-SECBINFHSA-N -1 0 316.321 -0.041 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1ccncn1 ZINC001592729601 1016775881 /nfs/dbraw/zinc/77/58/81/1016775881.db2.gz NVGIENCBAHLNDV-VIFPVBQESA-N -1 0 316.321 -0.041 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001592734199 1016779311 /nfs/dbraw/zinc/77/93/11/1016779311.db2.gz SPOJMIOUOGPXQD-NXEZZACHSA-N -1 0 309.384 -0.460 20 0 DBADRM CC(CO)(CO)Cn1cc(CN2CCCC[C@H]2C(=O)[O-])nn1 ZINC001592734173 1016780437 /nfs/dbraw/zinc/78/04/37/1016780437.db2.gz SDFJEQAZZAHBIO-LBPRGKRZSA-N -1 0 312.370 -0.292 20 0 DBADRM C[C@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC1 ZINC001416780948 1003509460 /nfs/dbraw/zinc/50/94/60/1003509460.db2.gz CVTWVVWGNASIIK-SSDOTTSWSA-N -1 0 309.326 -0.754 20 0 DBADRM NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592732834 1016781068 /nfs/dbraw/zinc/78/10/68/1016781068.db2.gz OLXPEZADNKFUNN-LURJTMIESA-N -1 0 312.311 -0.902 20 0 DBADRM C[C@@](CO)(NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC001592741993 1016783513 /nfs/dbraw/zinc/78/35/13/1016783513.db2.gz MOXMUMXZYBKYNI-KCJUWKMLSA-N -1 0 305.352 -0.847 20 0 DBADRM C[C@](CO)(NC(=O)Cn1cc(Br)cn1)C(=O)[O-] ZINC001592738950 1016784827 /nfs/dbraw/zinc/78/48/27/1016784827.db2.gz ISPSNYMEDSNUJE-SECBINFHSA-N -1 0 306.116 -0.403 20 0 DBADRM C[C@@](CO)(NC(=O)Cn1cnc(-c2ccccc2)n1)C(=O)[O-] ZINC001592738917 1016785403 /nfs/dbraw/zinc/78/54/03/1016785403.db2.gz HXXMGXWEXFEIMQ-AWEZNQCLSA-N -1 0 304.306 -0.103 20 0 DBADRM C[C@](CO)(NC(=O)[C@H]1Cc2cc(F)ccc2NC1=O)C(=O)[O-] ZINC001592741086 1016785934 /nfs/dbraw/zinc/78/59/34/1016785934.db2.gz FQHXXEUKTHOMNF-LKFCYVNXSA-N -1 0 310.281 -0.112 20 0 DBADRM CC(C)(C)N1CCC[C@H](C(=O)N[C@](C)(CO)C(=O)[O-])C1=O ZINC001592744616 1016787431 /nfs/dbraw/zinc/78/74/31/1016787431.db2.gz ZVAHAGZPDVAPPY-YMTOWFKASA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@](CO)(NC(=O)c1ccc(S(C)(=O)=O)cc1N)C(=O)[O-] ZINC001592744950 1016789498 /nfs/dbraw/zinc/78/94/98/1016789498.db2.gz PEAHJVWRACLYFS-GFCCVEGCSA-N -1 0 316.335 -0.762 20 0 DBADRM C[C@@](CO)(NCC(=O)NC(=O)NC1CCCCC1)C(=O)[O-] ZINC001592750579 1016791831 /nfs/dbraw/zinc/79/18/31/1016791831.db2.gz SQUCWHINXNDCQK-ZDUSSCGKSA-N -1 0 301.343 -0.430 20 0 DBADRM C[C@](CO)(NCC(=O)NCCOc1ccc(F)cc1)C(=O)[O-] ZINC001592750305 1016792112 /nfs/dbraw/zinc/79/21/12/1016792112.db2.gz QLKJDZUIVGYVAS-CQSZACIVSA-N -1 0 314.313 -0.254 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2cn[nH]n2)CN1C(=O)COCC(F)F ZINC001428077955 1003584651 /nfs/dbraw/zinc/58/46/51/1003584651.db2.gz PXHYUMAIYDMMKQ-SFYZADRCSA-N -1 0 317.296 -0.194 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001592756219 1016795792 /nfs/dbraw/zinc/79/57/92/1016795792.db2.gz SYNKVIBDNHLEPC-NIVTXAMTSA-N -1 0 316.401 -0.447 20 0 DBADRM CN(CCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001495936662 1016796065 /nfs/dbraw/zinc/79/60/65/1016796065.db2.gz FOSNIAFHIJSOCI-BRPSZJMVSA-N -1 0 321.337 -0.483 20 0 DBADRM C[C@H](CO)C1CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001592756323 1016798984 /nfs/dbraw/zinc/79/89/84/1016798984.db2.gz VFGWPBFAIHVZGA-YUSALJHKSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H](COCC(F)(F)F)NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001592769212 1016799821 /nfs/dbraw/zinc/79/98/21/1016799821.db2.gz LENDKDCYDYERIH-LURJTMIESA-N -1 0 300.233 -0.205 20 0 DBADRM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001592771365 1016800774 /nfs/dbraw/zinc/80/07/74/1016800774.db2.gz DNGQJTSSHHQARI-UKKRHICBSA-N -1 0 314.338 -0.724 20 0 DBADRM C[C@H](CS(=O)(=O)N(C)C)OC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001592788649 1016801476 /nfs/dbraw/zinc/80/14/76/1016801476.db2.gz UPNTULVTROUSSD-MRVPVSSYSA-N -1 0 319.339 -0.596 20 0 DBADRM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001592771366 1016801502 /nfs/dbraw/zinc/80/15/02/1016801502.db2.gz DNGQJTSSHHQARI-XWLWVQCSSA-N -1 0 314.338 -0.724 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)C(=O)[O-] ZINC001592789698 1016801990 /nfs/dbraw/zinc/80/19/90/1016801990.db2.gz MQDDMGGEDYZWGK-UTINFBMNSA-N -1 0 304.368 -0.377 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-])C1CC1 ZINC001592789307 1016802571 /nfs/dbraw/zinc/80/25/71/1016802571.db2.gz DSPFGHXWOQHPJG-WPRPVWTQSA-N -1 0 304.368 -0.411 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN(CC(C)(C)O)C[C@H]1C)C(=O)[O-] ZINC001592800080 1016804157 /nfs/dbraw/zinc/80/41/57/1016804157.db2.gz IPWSCIPMAHMLBJ-WDEREUQCSA-N -1 0 322.427 -0.186 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC[C@@H](OC(=O)N(C)C)C1)C(=O)[O-] ZINC001592799730 1016804195 /nfs/dbraw/zinc/80/41/95/1016804195.db2.gz ZKHIDZFRUYWKPP-DTWKUNHWSA-N -1 0 308.356 -0.191 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H](C)C(=O)NCC(F)(F)F)C(=O)[O-] ZINC001592800577 1016804361 /nfs/dbraw/zinc/80/43/61/1016804361.db2.gz OOOOMOABGDFJEV-RITPCOANSA-N -1 0 320.289 -0.307 20 0 DBADRM C[C@@H](CS(=O)(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2)C(=O)[O-] ZINC001592799388 1016804374 /nfs/dbraw/zinc/80/43/74/1016804374.db2.gz ASWSCDDLMADPQT-LPEHRKFASA-N -1 0 304.368 -0.268 20 0 DBADRM O=C(CC1CC1)NC/C=C/CNc1ccnc(-c2nnn[n-]2)n1 ZINC001592813627 1016805236 /nfs/dbraw/zinc/80/52/36/1016805236.db2.gz PYCPKQYSMUEYOF-OWOJBTEDSA-N -1 0 314.353 -0.037 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@@H](C[NH+]1CCCCC1)C(=O)[O-])C(=O)[O-] ZINC001592809830 1016805375 /nfs/dbraw/zinc/80/53/75/1016805375.db2.gz ZBHODSDJTZVPHW-UWVGGRQHSA-N -1 0 322.383 -0.434 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001592814681 1016805857 /nfs/dbraw/zinc/80/58/57/1016805857.db2.gz WXNGNCLPPDXVPZ-SSDOTTSWSA-N -1 0 315.351 -0.286 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H](Cn1ccnc1)C(=O)[O-] ZINC001592813509 1016806143 /nfs/dbraw/zinc/80/61/43/1016806143.db2.gz ASQHVAIZTYYHEG-BDAKNGLRSA-N -1 0 303.340 -0.867 20 0 DBADRM C[C@@H](CS(=O)(=O)NCCN1CCC2(C1)OCCO2)C(=O)[O-] ZINC001592808917 1016806343 /nfs/dbraw/zinc/80/63/43/1016806343.db2.gz NLXMEHWJHFFPGV-JTQLQIEISA-N -1 0 322.383 -0.925 20 0 DBADRM C[C@@H](CS(=O)(=O)NCC1N=NC(=O)N1C1CC1)C(=O)[O-] ZINC001592814872 1016806604 /nfs/dbraw/zinc/80/66/04/1016806604.db2.gz DQOZPEWJEKZKKH-LURJTMIESA-N -1 0 304.328 -0.541 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)OCc1noc(CCC(=O)[O-])n1 ZINC001592816659 1016807682 /nfs/dbraw/zinc/80/76/82/1016807682.db2.gz YLCALBRNDNMEAS-SSDOTTSWSA-N -1 0 320.323 -0.189 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)CCc1ocnc1C(=O)[O-] ZINC001592816631 1016808412 /nfs/dbraw/zinc/80/84/12/1016808412.db2.gz YFJGOJUYAKZZCY-SSDOTTSWSA-N -1 0 304.324 -0.145 20 0 DBADRM CC[C@H](C)CC(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001495984812 1016808530 /nfs/dbraw/zinc/80/85/30/1016808530.db2.gz VQDPRRJSRYKGPU-VIFPVBQESA-N -1 0 313.358 -0.300 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)/C=C\CN1CCOCC1)C(=O)[O-] ZINC001592917995 1016816509 /nfs/dbraw/zinc/81/65/09/1016816509.db2.gz XMHPDFVLXRFYSD-NSRYLSIASA-N -1 0 322.365 -0.269 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)Nn1c(=O)[n-][nH]c1=O ZINC001592898248 1016812262 /nfs/dbraw/zinc/81/22/62/1016812262.db2.gz RTFRUJJNTKLJPD-UHFFFAOYSA-N -1 0 318.253 -0.982 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)[C@H](C)c2nnnn2C)c1[O-] ZINC001438864254 1003699809 /nfs/dbraw/zinc/69/98/09/1003699809.db2.gz DUMKSBXEDMEDJU-SECBINFHSA-N -1 0 322.373 -0.288 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)[C@H]1CCNC(=O)CC1)C(=O)[O-] ZINC001592916286 1016814103 /nfs/dbraw/zinc/81/41/03/1016814103.db2.gz DGUSHBMWRGTBFP-YGRLFVJLSA-N -1 0 308.338 -0.241 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)[C@H]1CCc2nncn2C1)C(=O)[O-] ZINC001592917929 1016814657 /nfs/dbraw/zinc/81/46/57/1016814657.db2.gz VWIVQSZQICQXDF-HZMBPMFUSA-N -1 0 318.337 -0.303 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)CN1CCCNC1=O)C(=O)[O-] ZINC001592916473 1016814886 /nfs/dbraw/zinc/81/48/86/1016814886.db2.gz GYQHIWSTLWVZNN-CYBMUJFWSA-N -1 0 309.326 -0.742 20 0 DBADRM O=C(Cc1cncs1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592929473 1016816688 /nfs/dbraw/zinc/81/66/88/1016816688.db2.gz WOXHDRSMPDLIJT-UHFFFAOYSA-N -1 0 305.327 -0.726 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCc1cscn1 ZINC001592940877 1016821545 /nfs/dbraw/zinc/82/15/45/1016821545.db2.gz GKZNPYQUHYDTAT-UHFFFAOYSA-N -1 0 305.327 -0.726 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccc(F)cn1 ZINC001592940852 1016822554 /nfs/dbraw/zinc/82/25/54/1016822554.db2.gz DQAVQRZJWHPXFG-UHFFFAOYSA-N -1 0 303.261 -0.691 20 0 DBADRM C[C@H](Cn1cncn1)NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001592930800 1016817234 /nfs/dbraw/zinc/81/72/34/1016817234.db2.gz XAQCBKWGBCZBIL-MRVPVSSYSA-N -1 0 313.339 -0.318 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001592926603 1016817748 /nfs/dbraw/zinc/81/77/48/1016817748.db2.gz SWCALYVZZRCXMS-SNVBAGLBSA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)c1cccc(C(=O)[O-])n1)C(N)=O ZINC001592925108 1016818010 /nfs/dbraw/zinc/81/80/10/1016818010.db2.gz SBPNXSUTAUGBMV-AWEZNQCLSA-N -1 0 317.305 -0.350 20 0 DBADRM CC(F)(F)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001592934381 1016818469 /nfs/dbraw/zinc/81/84/69/1016818469.db2.gz JCLGZKDIVWQPIS-HTQZYQBOSA-N -1 0 308.281 -0.701 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC1([C@@H]2CCCCO2)CC1 ZINC001592939864 1016818601 /nfs/dbraw/zinc/81/86/01/1016818601.db2.gz KYBRTCDHGYGGPK-VIFPVBQESA-N -1 0 318.341 -0.324 20 0 DBADRM Cc1cnn(CCC(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)c1 ZINC001438937544 1003772950 /nfs/dbraw/zinc/77/29/50/1003772950.db2.gz LPIQPKSQTVPSJZ-UHFFFAOYSA-N -1 0 321.385 -0.004 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CCC[C@H](F)C1 ZINC001592934280 1016819485 /nfs/dbraw/zinc/81/94/85/1016819485.db2.gz IEXHTYUMZVYABJ-ZETCQYMHSA-N -1 0 323.288 -0.911 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001592931270 1016819830 /nfs/dbraw/zinc/81/98/30/1016819830.db2.gz LJNSSJZMHOLTQF-GXSJLCMTSA-N -1 0 311.342 -0.466 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cc(CC2CC2)[nH]n1 ZINC001592941551 1016820548 /nfs/dbraw/zinc/82/05/48/1016820548.db2.gz DOKJNJPBOOIWDY-UHFFFAOYSA-N -1 0 314.313 -0.228 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC1(CCO)CCCCC1 ZINC001592940196 1016820642 /nfs/dbraw/zinc/82/06/42/1016820642.db2.gz RNPKQNWMNBLEAC-UHFFFAOYSA-N -1 0 320.357 -0.340 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCC[C@H]1CCO ZINC001592940011 1016820732 /nfs/dbraw/zinc/82/07/32/1016820732.db2.gz OUSHEBPEXIHGIN-IUCAKERBSA-N -1 0 306.330 -0.875 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC1CCC(O)CC1 ZINC001592940901 1016820758 /nfs/dbraw/zinc/82/07/58/1016820758.db2.gz HWNGTJIXDKRZSU-UHFFFAOYSA-N -1 0 306.330 -0.875 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)c1ccc(-c2nn[nH]n2)nc1 ZINC001592962502 1016826525 /nfs/dbraw/zinc/82/65/25/1016826525.db2.gz MUPWYBIRHLYQPE-UHFFFAOYSA-N -1 0 312.297 -0.416 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)c1cc(-c2nn[nH]n2)ccn1 ZINC001592962511 1016826608 /nfs/dbraw/zinc/82/66/08/1016826608.db2.gz NMKPPORAYFFKQS-UHFFFAOYSA-N -1 0 312.297 -0.416 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1C(=O)[C@H]1CC12CC2 ZINC001417054850 1003803994 /nfs/dbraw/zinc/80/39/94/1003803994.db2.gz UBXLQAPQQOVVDK-RKDXNWHRSA-N -1 0 321.337 -0.794 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)c1ccccn1 ZINC001592981146 1016827479 /nfs/dbraw/zinc/82/74/79/1016827479.db2.gz PAOHCEJLTXBXOM-FOGDFJRCSA-N -1 0 321.333 -0.041 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ncn(C)n1 ZINC001592980003 1016827575 /nfs/dbraw/zinc/82/75/75/1016827575.db2.gz SEQPAOXIRWDKHG-SSDOTTSWSA-N -1 0 320.309 -0.332 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1cccnc1 ZINC001592970019 1016827639 /nfs/dbraw/zinc/82/76/39/1016827639.db2.gz BJSMOPLTIDFRGZ-KOLCDFICSA-N -1 0 307.306 -0.429 20 0 DBADRM C[C@@H](NC(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)[C@H]1CCOC1 ZINC001592979258 1016827872 /nfs/dbraw/zinc/82/78/72/1016827872.db2.gz PKBNHWAEFDYYAH-QSJCVTFJSA-N -1 0 310.350 -0.103 20 0 DBADRM Cc1c(C(=O)NCC2(NC(=O)c3cn[nH]n3)CC2)cnn1C ZINC001417099962 1003817761 /nfs/dbraw/zinc/81/77/61/1003817761.db2.gz DPIXKRPURNYHLQ-UHFFFAOYSA-N -1 0 303.326 -0.461 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)[C@@H]1CC2CCC1CC2 ZINC001592970694 1016828091 /nfs/dbraw/zinc/82/80/91/1016828091.db2.gz IZRGVMIJYGTZGI-XKGSQUFQSA-N -1 0 324.377 -0.025 20 0 DBADRM O=C(CCC1CC1)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001417116577 1003823451 /nfs/dbraw/zinc/82/34/51/1003823451.db2.gz LXGUNPNHNUKVBD-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM CCn1ccnc1C(=O)NCC1(NC(=O)c2cn[nH]n2)CC1 ZINC001417125734 1003825908 /nfs/dbraw/zinc/82/59/08/1003825908.db2.gz LRRPBIBQIXQXFC-UHFFFAOYSA-N -1 0 303.326 -0.287 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccnn1C1CC1 ZINC001592941999 1016823414 /nfs/dbraw/zinc/82/34/14/1016823414.db2.gz YZLFSQFOQZTZIJ-UHFFFAOYSA-N -1 0 300.286 -0.372 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1C[C@H]1[C@@H]1CCCO1 ZINC001592941940 1016823887 /nfs/dbraw/zinc/82/38/87/1016823887.db2.gz RYULZIBLIAVMLV-HLTSFMKQSA-N -1 0 304.314 -0.858 20 0 DBADRM C[C@H](CNC(=O)C(C)(F)F)NC(=O)c1cnc([O-])n(C)c1=O ZINC001428486006 1003845212 /nfs/dbraw/zinc/84/52/12/1003845212.db2.gz VQIKPUGMRQTKMB-ZCFIWIBFSA-N -1 0 318.280 -0.624 20 0 DBADRM COCC(=O)NC[C@@H](C)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001428486259 1003845389 /nfs/dbraw/zinc/84/53/89/1003845389.db2.gz XIRRRAZYQCYEPX-SSDOTTSWSA-N -1 0 308.294 -0.191 20 0 DBADRM CCCC(=O)NC[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001428489532 1003846893 /nfs/dbraw/zinc/84/68/93/1003846893.db2.gz QQSNVAKRJNEEHN-VIFPVBQESA-N -1 0 320.353 -0.508 20 0 DBADRM CCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001428530078 1003854346 /nfs/dbraw/zinc/85/43/46/1003854346.db2.gz JWIXRLCWKABHRP-BDAKNGLRSA-N -1 0 310.354 -0.091 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001428562377 1003859571 /nfs/dbraw/zinc/85/95/71/1003859571.db2.gz UDZFGTHCBZQOPD-WYOJIJJFSA-N -1 0 323.353 -0.644 20 0 DBADRM C[C@@H](C(=O)NC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001428564717 1003859847 /nfs/dbraw/zinc/85/98/47/1003859847.db2.gz RVVIYGFSAXSWDJ-DTWKUNHWSA-N -1 0 322.365 -0.234 20 0 DBADRM C[C@@H](CNC(=O)[C@@H](C)C1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001428564719 1003860178 /nfs/dbraw/zinc/86/01/78/1003860178.db2.gz RVVIYGFSAXSWDJ-IUCAKERBSA-N -1 0 322.365 -0.234 20 0 DBADRM C[C@]1(NC(=O)CC2CC2)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001417298831 1003862207 /nfs/dbraw/zinc/86/22/07/1003862207.db2.gz MYNHYCKJIYDCJD-AWEZNQCLSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@H](NC(=O)CCNS(C)(=O)=O)c1ncc(C(=O)[O-])s1 ZINC001593019002 1016831870 /nfs/dbraw/zinc/83/18/70/1016831870.db2.gz FVHLSVOBUVTDBX-LURJTMIESA-N -1 0 321.380 -0.042 20 0 DBADRM O=C(N[C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1n[nH]c(=O)[n-]1 ZINC001593005831 1016831987 /nfs/dbraw/zinc/83/19/87/1016831987.db2.gz WDCJWOBWBPOUNO-VIFPVBQESA-N -1 0 312.293 -0.412 20 0 DBADRM C[C@H](C(=O)N(C)c1nnn[n-]1)S(=O)(=O)C1CCOCC1 ZINC001417565855 1003889407 /nfs/dbraw/zinc/88/94/07/1003889407.db2.gz CXQUPLDLRPTVSW-SSDOTTSWSA-N -1 0 303.344 -0.855 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1ccc(OC(F)F)cn1 ZINC001417582304 1003892782 /nfs/dbraw/zinc/89/27/82/1003892782.db2.gz ONOKKZAVHBZFPM-UHFFFAOYSA-N -1 0 314.252 -0.010 20 0 DBADRM Cc1ncc2c(n1)CC[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001417606336 1003896243 /nfs/dbraw/zinc/89/62/43/1003896243.db2.gz HULTUVONANKTIW-MRVPVSSYSA-N -1 0 302.294 -0.331 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001417612714 1003898367 /nfs/dbraw/zinc/89/83/67/1003898367.db2.gz BBWUKFUQNTXACM-LLVKDONJSA-N -1 0 306.370 -0.103 20 0 DBADRM C[C@@H](NC(=O)Cn1nnc(N)n1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593050217 1016834472 /nfs/dbraw/zinc/83/44/72/1016834472.db2.gz LCTJZTCECIFQPG-KOLCDFICSA-N -1 0 318.337 -0.297 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC001417634676 1003925120 /nfs/dbraw/zinc/92/51/20/1003925120.db2.gz LTZDYEMECYBFRO-SNVBAGLBSA-N -1 0 317.305 -0.389 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001417633462 1003925130 /nfs/dbraw/zinc/92/51/30/1003925130.db2.gz GSQWCCUCMITBFP-UHNVWZDZSA-N -1 0 313.261 -0.961 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001439345494 1003934696 /nfs/dbraw/zinc/93/46/96/1003934696.db2.gz IBSBSJQZKWGMAH-JYMMUIJESA-N -1 0 321.381 -0.130 20 0 DBADRM C[C@@H](NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)C(=O)N(C)C ZINC001593055775 1016835796 /nfs/dbraw/zinc/83/57/96/1016835796.db2.gz SQNGLFLRLGSCSE-PSASIEDQSA-N -1 0 301.343 -0.670 20 0 DBADRM C[C@H](NC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)C(=O)N(C)C ZINC001593064264 1016837156 /nfs/dbraw/zinc/83/71/56/1016837156.db2.gz RFOKBKIGUNSLJJ-DTWKUNHWSA-N -1 0 324.341 -0.591 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@@H](CO)Cc1ccc(O)cc1 ZINC001417691083 1003971756 /nfs/dbraw/zinc/97/17/56/1003971756.db2.gz ODJPDQPEFRLJHZ-LLVKDONJSA-N -1 0 305.338 -0.052 20 0 DBADRM Cc1nnc(Cn2nnc(C(=O)[N-]N3CCCC3=O)c2C)o1 ZINC001417689667 1003972369 /nfs/dbraw/zinc/97/23/69/1003972369.db2.gz KYKLRNXGNNJAET-UHFFFAOYSA-N -1 0 305.298 -0.407 20 0 DBADRM CC(=O)N[C@@](C)(C(=O)NCCC(=O)[N-]S(C)(=O)=O)C(C)C ZINC001417713729 1003994728 /nfs/dbraw/zinc/99/47/28/1003994728.db2.gz ZYXXYDJWKVQCGB-GFCCVEGCSA-N -1 0 321.399 -0.881 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](O)CCc1ccccc1 ZINC001417711398 1003996077 /nfs/dbraw/zinc/99/60/77/1003996077.db2.gz GWDYKKJFZPBAOW-NSHDSACASA-N -1 0 306.322 -0.201 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001417715957 1003998542 /nfs/dbraw/zinc/99/85/42/1003998542.db2.gz WBCTURIYQGEWGG-IUCAKERBSA-N -1 0 312.326 -0.121 20 0 DBADRM C[C@@H]1c2nncn2CCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001417714177 1003999273 /nfs/dbraw/zinc/99/92/73/1003999273.db2.gz MKLSWKRZRNFODT-MRVPVSSYSA-N -1 0 307.314 -0.336 20 0 DBADRM O=C([C@H](O)c1cccnc1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001417719385 1004002273 /nfs/dbraw/zinc/00/22/73/1004002273.db2.gz FARWWUWIXURDRP-NXEZZACHSA-N -1 0 306.351 -0.055 20 0 DBADRM C[S@@](=O)C1(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1 ZINC001417725206 1004008223 /nfs/dbraw/zinc/00/82/23/1004008223.db2.gz NLBNUOGIPJLEDG-JOCHJYFZSA-N -1 0 320.378 -0.284 20 0 DBADRM C[C@H](NC(=O)NCCC(=O)NCCC(=O)[O-])C1(CO)CC1 ZINC001593089696 1016841171 /nfs/dbraw/zinc/84/11/71/1016841171.db2.gz ZGKOGCNQSTULIQ-VIFPVBQESA-N -1 0 301.343 -0.572 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001417732931 1004011534 /nfs/dbraw/zinc/01/15/34/1004011534.db2.gz NZQUQKUHNPXAPC-CQSZACIVSA-N -1 0 301.306 -0.625 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N(C1CC1)C1CC1 ZINC001593110430 1016844025 /nfs/dbraw/zinc/84/40/25/1016844025.db2.gz YNRRWFOEBAMKFR-UHFFFAOYSA-N -1 0 303.330 -0.205 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ncccc1Cl ZINC001593112794 1016845543 /nfs/dbraw/zinc/84/55/43/1016845543.db2.gz RVFYPZNHPQXSGP-UHFFFAOYSA-N -1 0 319.716 -0.063 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NO[C@H]1CCCCO1 ZINC001593110770 1016845614 /nfs/dbraw/zinc/84/56/14/1016845614.db2.gz HFDAXSBLUWPTOX-QMMMGPOBSA-N -1 0 323.317 -0.784 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001439526388 1004033847 /nfs/dbraw/zinc/03/38/47/1004033847.db2.gz OFHJHCSEBPNHDK-RKDXNWHRSA-N -1 0 306.330 -0.947 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)Nc1ccccn1 ZINC001593111416 1016846591 /nfs/dbraw/zinc/84/65/91/1016846591.db2.gz ATZBOLOKSBBNQS-UHFFFAOYSA-N -1 0 300.286 -0.325 20 0 DBADRM Cc1nc2c(n1CCO)CC[C@@H](NC(=O)c1c[n-]ncc1=O)C2 ZINC001417791237 1004040431 /nfs/dbraw/zinc/04/04/31/1004040431.db2.gz LSOILKYJTOSSTC-SNVBAGLBSA-N -1 0 317.349 -0.033 20 0 DBADRM C[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)C(N)=O ZINC001593138938 1016847716 /nfs/dbraw/zinc/84/77/16/1016847716.db2.gz OYGWGMOAVZASGC-BQBZGAKWSA-N -1 0 303.315 -0.656 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CCC[C@@H]1CCO ZINC001593110130 1016842483 /nfs/dbraw/zinc/84/24/83/1016842483.db2.gz STFYBMXMVIAKFV-SECBINFHSA-N -1 0 321.345 -0.985 20 0 DBADRM C[C@@H](NC(=O)Nc1c(C(=O)[O-])cnn1C)C1N=NC(=O)N1C ZINC001593108245 1016842501 /nfs/dbraw/zinc/84/25/01/1016842501.db2.gz CJCKJMZUWYEJBC-RXMQYKEDSA-N -1 0 309.286 -0.165 20 0 DBADRM C[C@@H](NC(=O)N[C@@H]1COC[C@H]1O)c1ncc(C(=O)[O-])s1 ZINC001593108102 1016843612 /nfs/dbraw/zinc/84/36/12/1016843612.db2.gz DOMQATXHWZLCEZ-FSDSQADBSA-N -1 0 301.324 -0.039 20 0 DBADRM CCN1C[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC001417876190 1004082613 /nfs/dbraw/zinc/08/26/13/1004082613.db2.gz ZXQDVGIAVYUQNA-MRVPVSSYSA-N -1 0 317.305 -0.213 20 0 DBADRM C[C@@H](NC(=O)c1cncn1C)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593184440 1016853361 /nfs/dbraw/zinc/85/33/61/1016853361.db2.gz CFZWOUGDOOKGPN-DTWKUNHWSA-N -1 0 318.337 -0.051 20 0 DBADRM C[C@](NC(=O)[C@@H]1CC(=O)NC(=O)N1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593138577 1016848610 /nfs/dbraw/zinc/84/86/10/1016848610.db2.gz GHLDIBJSSJDRGM-LKFCYVNXSA-N -1 0 323.280 -0.160 20 0 DBADRM C[C@@H](NC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)C(N)=O ZINC001593133424 1016848847 /nfs/dbraw/zinc/84/88/47/1016848847.db2.gz AIBADJBNZAVGQL-HTQZYQBOSA-N -1 0 317.342 -0.266 20 0 DBADRM Cc1ccnn1CC(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001439848310 1004134032 /nfs/dbraw/zinc/13/40/32/1004134032.db2.gz IASHUAHYENCXFH-AWEZNQCLSA-N -1 0 319.369 -0.204 20 0 DBADRM C[C@H](NC(=O)c1ccnn1C)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593181149 1016851101 /nfs/dbraw/zinc/85/11/01/1016851101.db2.gz HXMDWZQBPKOGAB-IUCAKERBSA-N -1 0 318.337 -0.051 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001593275272 1016857239 /nfs/dbraw/zinc/85/72/39/1016857239.db2.gz VVRYEDPLKKUHEA-UHFFFAOYSA-N -1 0 323.334 -0.097 20 0 DBADRM O=C([O-])C(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001593276635 1016857561 /nfs/dbraw/zinc/85/75/61/1016857561.db2.gz QTYKYXMJHPZSLO-UHFFFAOYSA-N -1 0 316.321 -0.405 20 0 DBADRM O=C(NC[C@H](CO)c1ccc(F)cc1)c1n[nH]c(=O)[n-]c1=O ZINC001418019641 1004165572 /nfs/dbraw/zinc/16/55/72/1004165572.db2.gz VQZZLJOKVGVIIB-MRVPVSSYSA-N -1 0 308.269 -0.072 20 0 DBADRM O=C(COC(=O)c1ccc(-c2nnn[n-]2)o1)N1CCNC1=O ZINC001593284017 1016858170 /nfs/dbraw/zinc/85/81/70/1016858170.db2.gz XJBYUSBKDCLRMP-UHFFFAOYSA-N -1 0 306.238 -0.832 20 0 DBADRM O=C(OCCN1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)o1 ZINC001593288834 1016858281 /nfs/dbraw/zinc/85/82/81/1016858281.db2.gz AQTLSMFZLVQGOJ-UHFFFAOYSA-N -1 0 305.250 -0.235 20 0 DBADRM C[C@@H](NC(=O)c1cnnn1C)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593185117 1016853663 /nfs/dbraw/zinc/85/36/63/1016853663.db2.gz QQTQFHSUCHZILX-HTQZYQBOSA-N -1 0 319.325 -0.656 20 0 DBADRM O=C([O-])C1CN(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001593275338 1016856159 /nfs/dbraw/zinc/85/61/59/1016856159.db2.gz AQOZQRGAYFENPY-UHFFFAOYSA-N -1 0 323.334 -0.287 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3ccns3)C2)c1[O-] ZINC001440040584 1004217961 /nfs/dbraw/zinc/21/79/61/1004217961.db2.gz GCCDEZOETMKVKN-UHFFFAOYSA-N -1 0 323.378 -0.143 20 0 DBADRM O=C([O-])/C=C\CNS(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC001593276955 1016856420 /nfs/dbraw/zinc/85/64/20/1016856420.db2.gz SIWIRKYMCBAGBH-UTCJRWHESA-N -1 0 309.307 -0.214 20 0 DBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC001593276142 1016856465 /nfs/dbraw/zinc/85/64/65/1016856465.db2.gz HCOYIZLBXHKRIO-MRVPVSSYSA-N -1 0 323.334 -0.038 20 0 DBADRM C[C@H](NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])c1nnnn1C ZINC001593318390 1016859526 /nfs/dbraw/zinc/85/95/26/1016859526.db2.gz GMVVGPCXBHCNHH-CIUDSAMLSA-N -1 0 317.371 -0.166 20 0 DBADRM CC(C)CCN1CC(O)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001440060023 1004232011 /nfs/dbraw/zinc/23/20/11/1004232011.db2.gz BYRUZYQYEFRWRZ-UHFFFAOYSA-N -1 0 311.342 -0.895 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001593348447 1016865427 /nfs/dbraw/zinc/86/54/27/1016865427.db2.gz YNCMLHHBEJIOKB-ZJUUUORDSA-N -1 0 318.337 -0.675 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NCc1ccccc1C(=O)[O-] ZINC001593352445 1016865466 /nfs/dbraw/zinc/86/54/66/1016865466.db2.gz ABLGZYFNUFUPEA-QMMMGPOBSA-N -1 0 300.336 -0.061 20 0 DBADRM C[C@@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)c1ncc(C(=O)[O-])s1 ZINC001593326736 1016860823 /nfs/dbraw/zinc/86/08/23/1016860823.db2.gz ZFZRSFZVEOEQDC-ATRFCDNQSA-N -1 0 322.364 -0.419 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC001593347407 1016865492 /nfs/dbraw/zinc/86/54/92/1016865492.db2.gz JSTMZBKXCZCKCB-AXTSPUMRSA-N -1 0 304.368 -0.364 20 0 DBADRM C[C@@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)[C@@H]1CN(C)CCN1C ZINC001593320678 1016861334 /nfs/dbraw/zinc/86/13/34/1016861334.db2.gz ZEILNESHVHJUIG-MNOVXSKESA-N -1 0 319.427 -0.453 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001593332035 1016861401 /nfs/dbraw/zinc/86/14/01/1016861401.db2.gz GGQWJPREVHXPOZ-ZCFIWIBFSA-N -1 0 300.286 -0.662 20 0 DBADRM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCN2C(=O)N=NC2C1 ZINC001593339734 1016863829 /nfs/dbraw/zinc/86/38/29/1016863829.db2.gz UUEHZNHLJBDKGY-UHFFFAOYSA-N -1 0 302.254 -0.587 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CC(n2cncn2)C1 ZINC001593335215 1016864189 /nfs/dbraw/zinc/86/41/89/1016864189.db2.gz JXNVGRJAUMBTRC-UHFFFAOYSA-N -1 0 312.293 -0.139 20 0 DBADRM O=C(c1cccc(F)c1-c1nn[nH]n1)N1C[C@H](O)[C@H](CO)C1 ZINC001593350694 1016865284 /nfs/dbraw/zinc/86/52/84/1016865284.db2.gz PSXZDHQDZGAMRB-XVKPBYJWSA-N -1 0 307.285 -0.569 20 0 DBADRM O=C1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)CN1CC1CC1 ZINC001593384678 1016868818 /nfs/dbraw/zinc/86/88/18/1016868818.db2.gz RSQZKCOLSSSFQH-VIFPVBQESA-N -1 0 300.326 -0.499 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)[O-] ZINC001593399307 1016872104 /nfs/dbraw/zinc/87/21/04/1016872104.db2.gz QAACZFBEJZGGFM-XCBNKYQSSA-N -1 0 314.260 -0.799 20 0 DBADRM O=C1CCCN1[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001593394844 1016872300 /nfs/dbraw/zinc/87/23/00/1016872300.db2.gz ZMXBNUPQOQXIOA-UHFFFAOYSA-N -1 0 309.311 -0.923 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC001418388904 1004369969 /nfs/dbraw/zinc/36/99/69/1004369969.db2.gz XFGKBMQXMZXIGT-VHSXEESVSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC001593398940 1016874115 /nfs/dbraw/zinc/87/41/15/1016874115.db2.gz INUOBXOEQJZJTP-KWQFWETISA-N -1 0 305.352 -0.847 20 0 DBADRM Cc1c(CCC(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001418459683 1004408029 /nfs/dbraw/zinc/40/80/29/1004408029.db2.gz GAHZSRRUFAFMTA-UHFFFAOYSA-N -1 0 321.385 -0.267 20 0 DBADRM C[C@](O)(CNC(=O)/C=C/c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC001593399622 1016876151 /nfs/dbraw/zinc/87/61/51/1016876151.db2.gz XWPHYBRXZIZQCD-PYEVWLCESA-N -1 0 317.319 -0.352 20 0 DBADRM CN(CCNC(=O)[C@H]1CCn2ccnc2C1)Cc1n[nH]c(=O)[n-]1 ZINC001418470966 1004418166 /nfs/dbraw/zinc/41/81/66/1004418166.db2.gz MDJSHIXENZUYGH-JTQLQIEISA-N -1 0 319.369 -0.483 20 0 DBADRM Cc1nc(C)c(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001418478848 1004423908 /nfs/dbraw/zinc/42/39/08/1004423908.db2.gz QYNHXNHNKRFCEF-UHFFFAOYSA-N -1 0 322.325 -0.251 20 0 DBADRM CN(C)C(=O)CN(C)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001418511418 1004444364 /nfs/dbraw/zinc/44/43/64/1004444364.db2.gz RSAXNYQZDCANJB-UHFFFAOYSA-N -1 0 321.337 -0.322 20 0 DBADRM C[C@@](O)(CO)CNC(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC001593420473 1016879861 /nfs/dbraw/zinc/87/98/61/1016879861.db2.gz VQOQNMUNCPBALF-NSHDSACASA-N -1 0 302.308 -0.756 20 0 DBADRM O=Cc1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)co1 ZINC001593416774 1016880277 /nfs/dbraw/zinc/88/02/77/1016880277.db2.gz ZZMNGVUOPWOHQQ-UHFFFAOYSA-N -1 0 302.254 -0.706 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001593426542 1016881116 /nfs/dbraw/zinc/88/11/16/1016881116.db2.gz SFIQCEMVRLHZCA-AXTRIDKLSA-N -1 0 312.366 -0.121 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC001593427312 1016881156 /nfs/dbraw/zinc/88/11/56/1016881156.db2.gz KXWZVOPFUSIFLK-NSHDSACASA-N -1 0 320.345 -0.021 20 0 DBADRM CCN(CCNC(=O)c1n[n-]c2ccccc2c1=O)CC(N)=O ZINC001418565260 1004480501 /nfs/dbraw/zinc/48/05/01/1004480501.db2.gz VKPWJQOFEPRFQC-UHFFFAOYSA-N -1 0 317.349 -0.128 20 0 DBADRM C[C@@H](O)C(C)(C)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001593427882 1016881676 /nfs/dbraw/zinc/88/16/76/1016881676.db2.gz OWHSKPFCVKASRZ-XHNCKOQMSA-N -1 0 303.359 -0.330 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001593426479 1016881731 /nfs/dbraw/zinc/88/17/31/1016881731.db2.gz BTUUPGKHSUILEC-LLVKDONJSA-N -1 0 320.345 -0.021 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001593424966 1016881829 /nfs/dbraw/zinc/88/18/29/1016881829.db2.gz CUEDWTVLHSCEQM-AEPCNGEQSA-N -1 0 324.377 -0.025 20 0 DBADRM CCN(CCNC(=O)[C@H](C)c1cnn(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001418588703 1004487681 /nfs/dbraw/zinc/48/76/81/1004487681.db2.gz JYUYQMOTGZNSHJ-SNVBAGLBSA-N -1 0 321.385 -0.014 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001593426544 1016881916 /nfs/dbraw/zinc/88/19/16/1016881916.db2.gz SFIQCEMVRLHZCA-UWJYBYFXSA-N -1 0 312.366 -0.121 20 0 DBADRM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001418621668 1004505959 /nfs/dbraw/zinc/50/59/59/1004505959.db2.gz KVMHRLRPKXXALB-BDAKNGLRSA-N -1 0 323.227 -0.150 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCC(=O)C1(C(=O)[O-])CC1 ZINC001593431805 1016883573 /nfs/dbraw/zinc/88/35/73/1016883573.db2.gz IGZIEAICWJXXJO-OIBJUYFYSA-N -1 0 313.306 -0.761 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCC(=O)C1(C(=O)[O-])CC1 ZINC001593431804 1016884490 /nfs/dbraw/zinc/88/44/90/1016884490.db2.gz IGZIEAICWJXXJO-GMSGAONNSA-N -1 0 313.306 -0.761 20 0 DBADRM C[C@H](O)[C@@H](O)CNC(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC001593438904 1016884983 /nfs/dbraw/zinc/88/49/83/1016884983.db2.gz WYPWOJLIRFBDHZ-BQBZGAKWSA-N -1 0 318.355 -0.191 20 0 DBADRM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001593439151 1016885369 /nfs/dbraw/zinc/88/53/69/1016885369.db2.gz YUSFPQPWOZJFSN-QSJCVTFJSA-N -1 0 310.350 -0.415 20 0 DBADRM O=S(=O)(NCCN1CCC1)c1ccsc1-c1nnn[n-]1 ZINC001593438845 1016885504 /nfs/dbraw/zinc/88/55/04/1016885504.db2.gz WLJVTAYNYNSNHB-UHFFFAOYSA-N -1 0 314.396 -0.088 20 0 DBADRM O=S(=O)(NC[C@@H]1COCO1)c1ccc(-c2nnn[n-]2)o1 ZINC001593436327 1016885681 /nfs/dbraw/zinc/88/56/81/1016885681.db2.gz UYDKNTYKKXGODG-ZCFIWIBFSA-N -1 0 301.284 -0.889 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001593439150 1016886186 /nfs/dbraw/zinc/88/61/86/1016886186.db2.gz YUSFPQPWOZJFSN-GSURGFDJSA-N -1 0 310.350 -0.415 20 0 DBADRM O=S(=O)(N[C@@H]1C=C[C@H](CO)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001593444203 1016887109 /nfs/dbraw/zinc/88/71/09/1016887109.db2.gz GAYQWZXUYCYZMM-JGVFFNPUSA-N -1 0 311.323 -0.325 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001593440778 1016887409 /nfs/dbraw/zinc/88/74/09/1016887409.db2.gz BCIBWLAOECROLN-NXEZZACHSA-N -1 0 301.343 -0.620 20 0 DBADRM C[C@H](O)[C@@H]1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CCO1 ZINC001593440667 1016888094 /nfs/dbraw/zinc/88/80/94/1016888094.db2.gz AHXSKUCGFYHJOK-UWVGGRQHSA-N -1 0 307.368 -0.347 20 0 DBADRM O=S(=O)(NCC1=CCCOC1)c1cccnc1-c1nnn[n-]1 ZINC001593439557 1016888421 /nfs/dbraw/zinc/88/84/21/1016888421.db2.gz VNLQXLIILZPTIK-UHFFFAOYSA-N -1 0 322.350 -0.113 20 0 DBADRM C[C@@H](O)[C@H]1CN(CC(=O)NC2(C(=O)[O-])CCCCC2)CCO1 ZINC001593442081 1016888452 /nfs/dbraw/zinc/88/84/52/1016888452.db2.gz KPUJBQOKHYPZHW-VXGBXAGGSA-N -1 0 314.382 -0.028 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C[C@H]1C=CCC1 ZINC001496328082 1016890246 /nfs/dbraw/zinc/89/02/46/1016890246.db2.gz KMPVBAVMKNGOPL-VIFPVBQESA-N -1 0 321.337 -0.173 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001593448235 1016890270 /nfs/dbraw/zinc/89/02/70/1016890270.db2.gz QPSGHQWAMCYJPL-HZMBPMFUSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001593457107 1016890937 /nfs/dbraw/zinc/89/09/37/1016890937.db2.gz QPJWYBWTULRXHD-NOOOWODRSA-N -1 0 303.355 -0.011 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])nn1 ZINC001593477359 1016895360 /nfs/dbraw/zinc/89/53/60/1016895360.db2.gz PRICGVJYPNFUTE-WDSKDSINSA-N -1 0 310.232 -0.147 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001496328665 1016891304 /nfs/dbraw/zinc/89/13/04/1016891304.db2.gz OSMBRPCLSHWUBT-JGVFFNPUSA-N -1 0 309.326 -0.483 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001593455311 1016891581 /nfs/dbraw/zinc/89/15/81/1016891581.db2.gz YKKKJRAXQDJUHP-JIGDXULJSA-N -1 0 311.323 -0.682 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@H](O)c1cccnc1 ZINC001418745198 1004610099 /nfs/dbraw/zinc/61/00/99/1004610099.db2.gz GXVUHZXZXCVFNI-NSHDSACASA-N -1 0 314.305 -0.684 20 0 DBADRM C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001593472625 1016895442 /nfs/dbraw/zinc/89/54/42/1016895442.db2.gz SLUULFHZTFIPLP-WRWGMCAJSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)c2cnc(C(=O)[O-])cn2)[C@H](C)C1 ZINC001593462714 1016893296 /nfs/dbraw/zinc/89/32/96/1016893296.db2.gz NVAYLMIWFSADAT-NXEZZACHSA-N -1 0 308.338 -0.298 20 0 DBADRM C[C@@H](O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001593462560 1016893516 /nfs/dbraw/zinc/89/35/16/1016893516.db2.gz MLHNHINQEKGCGU-RXMQYKEDSA-N -1 0 301.686 -0.131 20 0 DBADRM Cn1c(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)c[nH]c1=O ZINC001418768879 1004630390 /nfs/dbraw/zinc/63/03/90/1004630390.db2.gz UEWCPMUKPBVUBG-UHFFFAOYSA-N -1 0 321.341 -0.656 20 0 DBADRM C[C@H](O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001593462561 1016894370 /nfs/dbraw/zinc/89/43/70/1016894370.db2.gz MLHNHINQEKGCGU-YFKPBYRVSA-N -1 0 301.686 -0.131 20 0 DBADRM C[C@H](O)c1cn(C2CN(C(=O)C34CC(C(=O)[O-])(C3)C4)C2)nn1 ZINC001593477195 1016895082 /nfs/dbraw/zinc/89/50/82/1016895082.db2.gz LDWPQCZCJZBMFT-AHOQVSSZSA-N -1 0 306.322 -0.030 20 0 DBADRM C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001593471054 1016895221 /nfs/dbraw/zinc/89/52/21/1016895221.db2.gz DWYJGAKNMWLCBW-SQYUCLKFSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001418808284 1004658807 /nfs/dbraw/zinc/65/88/07/1004658807.db2.gz MMLSPZBMKYFNCW-SFYZADRCSA-N -1 0 319.312 -0.129 20 0 DBADRM C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001593471080 1016896617 /nfs/dbraw/zinc/89/66/17/1016896617.db2.gz FGNITWNMPXKQPW-UXSWQMMLSA-N -1 0 310.350 -0.272 20 0 DBADRM C[C@@H](OC(=O)[C@@H](C)N1CCSCC1)C(=O)NCC(=O)[O-] ZINC001593485538 1016897502 /nfs/dbraw/zinc/89/75/02/1016897502.db2.gz RTEVFWCUDDTAPC-RKDXNWHRSA-N -1 0 304.368 -0.444 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1CCOC[C@@H]1CCCO1 ZINC001593489158 1016897572 /nfs/dbraw/zinc/89/75/72/1016897572.db2.gz BPVDICUAOCGPSB-QMMMGPOBSA-N -1 0 308.298 -0.675 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC001418837549 1004686037 /nfs/dbraw/zinc/68/60/37/1004686037.db2.gz HBRAZNSHHVGRTN-SECBINFHSA-N -1 0 321.337 -0.100 20 0 DBADRM C[C@@H](OC(=O)[C@@H](C)S(C)(=O)=O)c1cn(CC(=O)[O-])nn1 ZINC001593485875 1016897872 /nfs/dbraw/zinc/89/78/72/1016897872.db2.gz VGGAWSJOIWCRGH-RNFRBKRXSA-N -1 0 305.312 -0.600 20 0 DBADRM O=C(Cc1cn2c(n1)CCCC2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001418862139 1004692342 /nfs/dbraw/zinc/69/23/42/1004692342.db2.gz CCKNRXCTSMFMKO-LLVKDONJSA-N -1 0 317.353 -0.125 20 0 DBADRM CC(C)(C)n1cnc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)n1 ZINC001418862760 1004692760 /nfs/dbraw/zinc/69/27/60/1004692760.db2.gz HHYSSUCRKYUJRO-MRVPVSSYSA-N -1 0 306.330 -0.240 20 0 DBADRM C[C@@H](OC(=O)C1(C(=O)[O-])CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001593490390 1016898601 /nfs/dbraw/zinc/89/86/01/1016898601.db2.gz CFBSSJZCERXZSU-HTQZYQBOSA-N -1 0 319.335 -0.914 20 0 DBADRM O=c1c(-c2nnn[n-]2)cccn1CN1CC[C@H](C2OCCO2)C1 ZINC001593492803 1016898684 /nfs/dbraw/zinc/89/86/84/1016898684.db2.gz OWIVLPWRFRBUBI-JTQLQIEISA-N -1 0 318.337 -0.319 20 0 DBADRM O=c1[n-]c(C2CCN(c3ncncc3-c3nn[nH]n3)CC2)n[nH]1 ZINC001593498132 1016899403 /nfs/dbraw/zinc/89/94/03/1016899403.db2.gz RBQROFXWYYYGJL-UHFFFAOYSA-N -1 0 314.313 -0.136 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)NCC(=O)[O-] ZINC001593503143 1016899624 /nfs/dbraw/zinc/89/96/24/1016899624.db2.gz STPHJORZGMQMIX-SFYZADRCSA-N -1 0 307.324 -0.914 20 0 DBADRM O=c1[n-]c([C@@H]2CCCN(c3ncncc3-c3nn[nH]n3)C2)n[nH]1 ZINC001593497409 1016899770 /nfs/dbraw/zinc/89/97/70/1016899770.db2.gz CCQSZNHNGBWDEI-SSDOTTSWSA-N -1 0 314.313 -0.136 20 0 DBADRM O=c1nc(Cl)cc(NCCn2cnc(-c3nnn[n-]3)n2)[nH]1 ZINC001593498207 1016900495 /nfs/dbraw/zinc/90/04/95/1016900495.db2.gz TZKCGPUBQRPKAA-UHFFFAOYSA-N -1 0 308.693 -0.281 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CCCc2nn(C)cc21)C(=O)NCC(=O)[O-] ZINC001593499764 1016900696 /nfs/dbraw/zinc/90/06/96/1016900696.db2.gz CPBUEDXKBANEMY-DTWKUNHWSA-N -1 0 309.322 -0.028 20 0 DBADRM O=c1c2sccc2c(-c2nnn[n-]2)cn1CCn1cnnn1 ZINC001593494768 1016900834 /nfs/dbraw/zinc/90/08/34/1016900834.db2.gz WHXBTVFJTNGLHL-UHFFFAOYSA-N -1 0 315.322 -0.070 20 0 DBADRM O=c1[n-]c(C2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)n[nH]1 ZINC001593497420 1016901698 /nfs/dbraw/zinc/90/16/98/1016901698.db2.gz CPMHZTYEGPQFJL-UHFFFAOYSA-N -1 0 314.313 -0.136 20 0 DBADRM O=c1c(-c2nnn[n-]2)cn(CCn2cnnn2)c2ccccc12 ZINC001593495167 1016901835 /nfs/dbraw/zinc/90/18/35/1016901835.db2.gz XPNOVDODSKVWNO-UHFFFAOYSA-N -1 0 309.293 -0.132 20 0 DBADRM O=c1cc(-c2nnn[n-]2)ncn1CC1CCS(=O)(=O)CC1 ZINC001593494999 1016902325 /nfs/dbraw/zinc/90/23/25/1016902325.db2.gz ZUJMEYMXYPCJSF-UHFFFAOYSA-N -1 0 310.339 -0.752 20 0 DBADRM CNC(=O)CN(Cc1ccccc1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001418981022 1004746476 /nfs/dbraw/zinc/74/64/76/1004746476.db2.gz IPLVHZHNPOMFSJ-UHFFFAOYSA-N -1 0 319.321 -0.536 20 0 DBADRM CC[C@@H](C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)N1CCCC1=O ZINC001419001381 1004757582 /nfs/dbraw/zinc/75/75/82/1004757582.db2.gz CKNFAMQLXPULQB-JTQLQIEISA-N -1 0 322.369 -0.788 20 0 DBADRM COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1cc(=O)n(C)[n-]1 ZINC001419012764 1004761817 /nfs/dbraw/zinc/76/18/17/1004761817.db2.gz IRSRJPXLEALRFB-MRVPVSSYSA-N -1 0 313.310 -0.450 20 0 DBADRM O=C(CCc1ccncn1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001419018699 1004768915 /nfs/dbraw/zinc/76/89/15/1004768915.db2.gz FGBBSWLBCUZDMU-UHFFFAOYSA-N -1 0 317.353 -0.519 20 0 DBADRM C[C@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)C(=O)[O-] ZINC001593517328 1016905153 /nfs/dbraw/zinc/90/51/53/1016905153.db2.gz VSHQUJPSCBOUIT-ZETCQYMHSA-N -1 0 307.324 -0.757 20 0 DBADRM O=C(COc1cccnc1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001419038599 1004779886 /nfs/dbraw/zinc/77/98/86/1004779886.db2.gz VXQBQZJPHHRGMI-UHFFFAOYSA-N -1 0 318.337 -0.468 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)cc1 ZINC001419041020 1004780796 /nfs/dbraw/zinc/78/07/96/1004780796.db2.gz CRYUYXGEHYWKMT-VIFPVBQESA-N -1 0 322.350 -0.523 20 0 DBADRM C[C@H](OC(=O)CCn1cnccc1=O)c1cn(CC(=O)[O-])nn1 ZINC001593527300 1016907020 /nfs/dbraw/zinc/90/70/20/1016907020.db2.gz FFEQCRKTLBKOCB-VIFPVBQESA-N -1 0 321.293 -0.386 20 0 DBADRM C[C@@H](OC(=O)CCn1cnccc1=O)c1cn(CC(=O)[O-])nn1 ZINC001593527299 1016907589 /nfs/dbraw/zinc/90/75/89/1016907589.db2.gz FFEQCRKTLBKOCB-SECBINFHSA-N -1 0 321.293 -0.386 20 0 DBADRM OCC[C@@H]1CN(Cc2nc(-c3nn[nH]n3)cs2)C[C@H]1CO ZINC001593530545 1016908733 /nfs/dbraw/zinc/90/87/33/1016908733.db2.gz KIMJAWLRHUUWJI-BDAKNGLRSA-N -1 0 310.383 -0.254 20 0 DBADRM Cc1cc(C)n(CC(=O)NC2(c3nnn[n-]3)CCC2)c(=O)n1 ZINC001419163018 1004824262 /nfs/dbraw/zinc/82/42/62/1004824262.db2.gz POXYOLMSIHGIHN-UHFFFAOYSA-N -1 0 303.326 -0.431 20 0 DBADRM CCN(C(=O)Cn1ccnc1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001419160794 1004824278 /nfs/dbraw/zinc/82/42/78/1004824278.db2.gz JIKOEIPQRVQPFW-NSHDSACASA-N -1 0 319.369 -0.170 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NCc1nnnn1C ZINC001419173500 1004826379 /nfs/dbraw/zinc/82/63/79/1004826379.db2.gz SNPYLUFMRVGTMJ-MRVPVSSYSA-N -1 0 308.346 -0.755 20 0 DBADRM Cn1nnnc1C1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001419288220 1004850417 /nfs/dbraw/zinc/85/04/17/1004850417.db2.gz KAABBTCEVIWNQI-UHFFFAOYSA-N -1 0 305.346 -0.548 20 0 DBADRM CN(CCNC(=O)C(C)(C)C1CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001496426121 1016912719 /nfs/dbraw/zinc/91/27/19/1016912719.db2.gz PKIGUAOYIASXLR-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM OCc1cc(NCCn2cnc(-c3nnn[n-]3)n2)ncc1F ZINC001593535381 1016913016 /nfs/dbraw/zinc/91/30/16/1016913016.db2.gz VMICXRMMWTYFOC-UHFFFAOYSA-N -1 0 305.277 -0.403 20 0 DBADRM C[C@@H](OC(=O)CNC(=O)COc1ccccc1)C(=O)C(=O)[O-] ZINC001593534279 1016914496 /nfs/dbraw/zinc/91/44/96/1016914496.db2.gz ULVSQNSBLDPRKT-SECBINFHSA-N -1 0 309.274 -0.233 20 0 DBADRM C[C@H](OC(=O)c1ccc(C(N)=O)nc1)c1cn(CC(=O)[O-])nn1 ZINC001593578839 1016921219 /nfs/dbraw/zinc/92/12/19/1016921219.db2.gz LPWZRQRAVYZXDU-ZETCQYMHSA-N -1 0 319.277 -0.225 20 0 DBADRM C[C@H](OC(=O)Cn1nnc2ccccc2c1=O)C(=O)C(=O)[O-] ZINC001593541198 1016917190 /nfs/dbraw/zinc/91/71/90/1016917190.db2.gz AVTMZWOXTKQGOZ-ZETCQYMHSA-N -1 0 305.246 -0.623 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CCc2cnn(C)c2C1)c1nnn[n-]1 ZINC001419553921 1004898386 /nfs/dbraw/zinc/89/83/86/1004898386.db2.gz NOKLAENIJPRPPB-WCBMZHEXSA-N -1 0 305.342 -0.458 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CCc2cnn(C)c2C1)c1nnn[n-]1 ZINC001419553912 1004898796 /nfs/dbraw/zinc/89/87/96/1004898796.db2.gz NOKLAENIJPRPPB-SCZZXKLOSA-N -1 0 305.342 -0.458 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CNC(=O)c2ccccc21)c1nnn[n-]1 ZINC001419560451 1004900429 /nfs/dbraw/zinc/90/04/29/1004900429.db2.gz ZORRRYXFXQPROI-QWRGUYRKSA-N -1 0 316.321 -0.469 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001419589680 1004912393 /nfs/dbraw/zinc/91/23/93/1004912393.db2.gz KDYABYAWUANZSC-MWLCHTKSSA-N -1 0 324.385 -0.494 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001419595090 1004912491 /nfs/dbraw/zinc/91/24/91/1004912491.db2.gz NSPHJTGWEDSVQJ-KOLCDFICSA-N -1 0 309.374 -0.326 20 0 DBADRM c1nc(-c2nnn[n-]2)nn1CCNCc1cc2n(n1)CCCC2 ZINC001593543795 1016919134 /nfs/dbraw/zinc/91/91/34/1016919134.db2.gz ZWBMRJYXFRYQDZ-UHFFFAOYSA-N -1 0 314.357 -0.219 20 0 DBADRM Nc1nnc(CC(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)s1 ZINC001419596777 1004915156 /nfs/dbraw/zinc/91/51/56/1004915156.db2.gz QHNBXMFJQCCEHS-SSDOTTSWSA-N -1 0 308.371 -0.343 20 0 DBADRM C[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(=O)NC[C@@H]1CCCO1 ZINC001593547406 1016919442 /nfs/dbraw/zinc/91/94/42/1016919442.db2.gz NMUZIZRRRYCUDS-XWLWVQCSSA-N -1 0 315.322 -0.155 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(=O)NC(=O)NC1CC1 ZINC001593548006 1016920463 /nfs/dbraw/zinc/92/04/63/1016920463.db2.gz SNUHLZPEUCQSRT-BWVDBABLSA-N -1 0 314.294 -0.462 20 0 DBADRM C[C@@H](OC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)C(=O)[O-] ZINC001593578440 1016926560 /nfs/dbraw/zinc/92/65/60/1016926560.db2.gz ARTVXAGHDVVLPE-ZCFIWIBFSA-N -1 0 319.291 -0.472 20 0 DBADRM C[C@H](OCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])c1nccn1C ZINC001593604867 1016930431 /nfs/dbraw/zinc/93/04/31/1016930431.db2.gz WMCOZPQMATUWLG-VHSXEESVSA-N -1 0 324.337 -0.701 20 0 DBADRM C[C@@H](Oc1cccnc1)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001593656347 1016932269 /nfs/dbraw/zinc/93/22/69/1016932269.db2.gz YDDPEHFKQLZLHJ-KOLCDFICSA-N -1 0 307.306 -0.397 20 0 DBADRM C[C@H](Oc1cccnc1)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001593656346 1016933442 /nfs/dbraw/zinc/93/34/42/1016933442.db2.gz YDDPEHFKQLZLHJ-GXSJLCMTSA-N -1 0 307.306 -0.397 20 0 DBADRM C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCC(=O)NCC(=O)[O-] ZINC001593605871 1016933640 /nfs/dbraw/zinc/93/36/40/1016933640.db2.gz BTCNOTGUTOBJJA-ZJUUUORDSA-N -1 0 302.327 -0.722 20 0 DBADRM C[C@H](c1nc(N)nc(N(C)C)n1)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001593733460 1016935154 /nfs/dbraw/zinc/93/51/54/1016935154.db2.gz FIVXKWKGGKUWLL-YIZRAAEISA-N -1 0 310.358 -0.245 20 0 DBADRM CN(CCCC(=O)[O-])S(=O)(=O)CCCN1CCOCC1 ZINC001593747876 1016935384 /nfs/dbraw/zinc/93/53/84/1016935384.db2.gz XBEHTVQTKMRWTH-UHFFFAOYSA-N -1 0 308.400 -0.165 20 0 DBADRM C[C@]1(C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)CCNC1=O ZINC001593748443 1016935468 /nfs/dbraw/zinc/93/54/68/1016935468.db2.gz SPRPTJFMXLWULY-XPTSAGLGSA-N -1 0 321.337 -0.334 20 0 DBADRM C[C@@]1(C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)CCNC1=O ZINC001593748441 1016935584 /nfs/dbraw/zinc/93/55/84/1016935584.db2.gz SPRPTJFMXLWULY-LKFCYVNXSA-N -1 0 321.337 -0.334 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001593685522 1016936190 /nfs/dbraw/zinc/93/61/90/1016936190.db2.gz YJDCCQZNIUBOCX-VGMNWLOBSA-N -1 0 314.367 -0.004 20 0 DBADRM CC1(C)CC(=O)N(CN(CCN2CCOCC2)CC(=O)[O-])C1 ZINC001593843832 1016941594 /nfs/dbraw/zinc/94/15/94/1016941594.db2.gz XMPGYESWDBDLHV-UHFFFAOYSA-N -1 0 313.398 -0.079 20 0 DBADRM C[C@@]1(C(=O)NC[C@H](O)CNc2ncc(C(=O)[O-])cn2)CCOC1 ZINC001593749247 1016938339 /nfs/dbraw/zinc/93/83/39/1016938339.db2.gz KSTNMFPOWKTMGP-IINYFYTJSA-N -1 0 324.337 -0.510 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)C1 ZINC001593784416 1016940030 /nfs/dbraw/zinc/94/00/30/1016940030.db2.gz MLPXVANCQJKRIV-PGUXBMHVSA-N -1 0 320.349 -0.261 20 0 DBADRM C[C@@]1(C(N)=O)CC[N@H+](CC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001593815403 1016941371 /nfs/dbraw/zinc/94/13/71/1016941371.db2.gz MBCUEIRPJFYULL-CQSZACIVSA-N -1 0 306.322 -0.084 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@H]2CCO[C@H]21 ZINC001593832323 1016941894 /nfs/dbraw/zinc/94/18/94/1016941894.db2.gz BRVYAGBXFPCMOA-BZNPZCIMSA-N -1 0 302.302 -0.545 20 0 DBADRM COCCN(CCC(=O)OC)C(=O)c1cc(C(=O)[O-])nn1C ZINC001594011580 1016948696 /nfs/dbraw/zinc/94/86/96/1016948696.db2.gz SGPDCNQXCVPGIY-UHFFFAOYSA-N -1 0 313.310 -0.230 20 0 DBADRM CC1(C)CC[C@H]1C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001593883640 1016942891 /nfs/dbraw/zinc/94/28/91/1016942891.db2.gz OABKTACFTSASSL-ZJUUUORDSA-N -1 0 322.365 -0.078 20 0 DBADRM CC1(C)CCN(CCC(=O)NCC(=O)[O-])CCS1(=O)=O ZINC001593911586 1016943192 /nfs/dbraw/zinc/94/31/92/1016943192.db2.gz JPFPRQQJPUNZDS-UHFFFAOYSA-N -1 0 306.384 -0.524 20 0 DBADRM CC1(C)CCC[C@H](CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])O1 ZINC001593884724 1016943325 /nfs/dbraw/zinc/94/33/25/1016943325.db2.gz FLLUDXHZBDWYQH-BDAKNGLRSA-N -1 0 304.318 -0.011 20 0 DBADRM CC1(C)CCC[C@](NC(=O)CN2CCNCC2=O)(C(=O)[O-])C1 ZINC001593891347 1016943336 /nfs/dbraw/zinc/94/33/36/1016943336.db2.gz JGMLNOOZGWDQRO-OAHLLOKOSA-N -1 0 311.382 -0.042 20 0 DBADRM CCN(CCN[C@H](C)c1nnnn1C)C(=O)c1n[nH]c(C)c1[O-] ZINC001420244894 1005169846 /nfs/dbraw/zinc/16/98/46/1005169846.db2.gz MIVBURQAKLXRGY-SECBINFHSA-N -1 0 322.373 -0.240 20 0 DBADRM CC1(C)COC(=O)[C@@H]1OC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001593952483 1016944955 /nfs/dbraw/zinc/94/49/55/1016944955.db2.gz AZBLZNRXGPPCAO-WPRPVWTQSA-N -1 0 313.306 -0.196 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC001420287071 1005187126 /nfs/dbraw/zinc/18/71/26/1005187126.db2.gz BVRKSXCMKNUKFQ-UWVGGRQHSA-N -1 0 312.326 -0.657 20 0 DBADRM C[C@]1(CCC(=O)[O-])NC(=O)N(C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1=O ZINC001594002306 1016946601 /nfs/dbraw/zinc/94/66/01/1016946601.db2.gz KDPBKOKWSMNELD-MAGOMRGPSA-N -1 0 312.322 -0.034 20 0 DBADRM CC1(C)[C@H]2[C@H](CCCN2C(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@@H]1O ZINC001593987647 1016946897 /nfs/dbraw/zinc/94/68/97/1016946897.db2.gz FTNDIVKEMUICST-QEYWKRMJSA-N -1 0 316.329 -0.467 20 0 DBADRM C[C@@]1(CC(=O)N2CCC[C@@H]2CC(=O)[O-])CCS(=O)(=O)N1 ZINC001593996162 1016947837 /nfs/dbraw/zinc/94/78/37/1016947837.db2.gz JRMKKKXLSLGUCG-SKDRFNHKSA-N -1 0 304.368 -0.076 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1(F)F ZINC001594011950 1016948489 /nfs/dbraw/zinc/94/84/89/1016948489.db2.gz APNCKRAJEAQISI-PELKAZGASA-N -1 0 320.292 -0.150 20 0 DBADRM C[C@@]1(CNS(=O)(=O)c2cncc(C(=O)[O-])c2)CCC(=O)N1 ZINC001594030073 1016948640 /nfs/dbraw/zinc/94/86/40/1016948640.db2.gz ICOWMUAWMGYXJV-LBPRGKRZSA-N -1 0 313.335 -0.273 20 0 DBADRM CC1(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])n2)OCCO1 ZINC001594011908 1016949629 /nfs/dbraw/zinc/94/96/29/1016949629.db2.gz LTCSPQOYZCXNOT-UHFFFAOYSA-N -1 0 309.278 -0.403 20 0 DBADRM CC1(CNS(=O)(=O)c2cncc(C(=O)[O-])c2)OCCO1 ZINC001594030697 1016949855 /nfs/dbraw/zinc/94/98/55/1016949855.db2.gz ZWBRRMYEYQPPFJ-UHFFFAOYSA-N -1 0 302.308 -0.179 20 0 DBADRM C[C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1 ZINC001594032054 1016950186 /nfs/dbraw/zinc/95/01/86/1016950186.db2.gz LUKKEEJYIGKTIB-NHYWBVRUSA-N -1 0 310.350 -0.103 20 0 DBADRM C[C@]1(CCC(=O)[O-])NC(=O)N(CN2CCn3cncc3C2)C1=O ZINC001594002401 1016950838 /nfs/dbraw/zinc/95/08/38/1016950838.db2.gz UJWVADDWAQRZTK-CQSZACIVSA-N -1 0 321.337 -0.169 20 0 DBADRM C[C@@]1(NC(=O)c2nnc[n-]2)CCN(c2cc[nH+]c(C(=O)[O-])n2)C1 ZINC001594055337 1016951443 /nfs/dbraw/zinc/95/14/43/1016951443.db2.gz AAMOEIWSEGBSOI-CYBMUJFWSA-N -1 0 317.309 -0.308 20 0 DBADRM CC1(Cn2cc(C(=O)OCCCC(=O)C(=O)[O-])nn2)COC1 ZINC001594043850 1016952775 /nfs/dbraw/zinc/95/27/75/1016952775.db2.gz SFMJIXHMKZPBQF-UHFFFAOYSA-N -1 0 311.294 -0.095 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1coc(C)n1 ZINC001420400729 1005246117 /nfs/dbraw/zinc/24/61/17/1005246117.db2.gz OMISEBRYZCCSPQ-UHFFFAOYSA-N -1 0 322.325 -0.169 20 0 DBADRM CCN(CCNC(=O)c1ccn(C)c(=O)c1)Cc1n[nH]c(=O)[n-]1 ZINC001420410226 1005250005 /nfs/dbraw/zinc/25/00/05/1005250005.db2.gz SEHRIIYRUVDFAK-UHFFFAOYSA-N -1 0 320.353 -0.539 20 0 DBADRM C[C@@]1(Cn2nnnc2N2CCO[C@H](C(=O)[O-])C2)CCCCO1 ZINC001594044877 1016953400 /nfs/dbraw/zinc/95/34/00/1016953400.db2.gz HBCUBOGQDZGBRO-GWCFXTLKSA-N -1 0 311.342 -0.078 20 0 DBADRM C[C@]1(Cn2nnnc2N2CCO[C@@H](C(=O)[O-])C2)CCCCO1 ZINC001594044880 1016953623 /nfs/dbraw/zinc/95/36/23/1016953623.db2.gz HBCUBOGQDZGBRO-ZWNOBZJWSA-N -1 0 311.342 -0.078 20 0 DBADRM C[C@@]1(CS(=O)(=O)N[C@H](CO)C(=O)[O-])CC1(Cl)Cl ZINC001594039043 1016953816 /nfs/dbraw/zinc/95/38/16/1016953816.db2.gz IDERTMZYRFFLAM-VDTYLAMSSA-N -1 0 306.167 -0.065 20 0 DBADRM CCN(CCNC(=O)CCc1cn[nH]c1)Cc1n[nH]c(=O)[n-]1 ZINC001420427676 1005257041 /nfs/dbraw/zinc/25/70/41/1005257041.db2.gz PSMDOHIDFQPBTP-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM CC1(Cn2cc(C(=O)NC[C@@]3(C(=O)[O-])CCOC3)nn2)COC1 ZINC001594043800 1016954251 /nfs/dbraw/zinc/95/42/51/1016954251.db2.gz QUPWFLNSQKRAGU-AWEZNQCLSA-N -1 0 324.337 -0.464 20 0 DBADRM CC1=C(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)Cn2nnnc2N1C ZINC001594090391 1016955046 /nfs/dbraw/zinc/95/50/46/1016955046.db2.gz LJNICLBRCCVOLA-RKDXNWHRSA-N -1 0 306.326 -0.282 20 0 DBADRM CC1(CNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)CC(F)(F)C1 ZINC001594013375 1016949158 /nfs/dbraw/zinc/94/91/58/1016949158.db2.gz PNTMZMBIQWRMAK-UHFFFAOYSA-N -1 0 306.265 -0.804 20 0 DBADRM COC(=O)[C@](C)(Cn1cccn1)NC(=O)CCCc1nnn[n-]1 ZINC001420488545 1005277950 /nfs/dbraw/zinc/27/79/50/1005277950.db2.gz KGDWGIQKDWHDKY-ZDUSSCGKSA-N -1 0 321.341 -0.533 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1(F)F ZINC001594011953 1016949246 /nfs/dbraw/zinc/94/92/46/1016949246.db2.gz APNCKRAJEAQISI-UFBFGSQYSA-N -1 0 320.292 -0.150 20 0 DBADRM CC1=C(C(=O)N2CC[C@](F)(C(=O)[O-])C2)S(=O)(=O)CCO1 ZINC001594091835 1016958911 /nfs/dbraw/zinc/95/89/11/1016958911.db2.gz DFDZMLIVFASEPX-LLVKDONJSA-N -1 0 307.299 -0.312 20 0 DBADRM CC1=C(C(=O)NCC2(C(=O)[O-])CC2)[C@H](C)n2nnnc2N1C ZINC001594093907 1016959003 /nfs/dbraw/zinc/95/90/03/1016959003.db2.gz RCSZBJGZRXBELE-QMMMGPOBSA-N -1 0 306.326 -0.061 20 0 DBADRM Cc1cnn(CC(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001420522170 1005288950 /nfs/dbraw/zinc/28/89/50/1005288950.db2.gz RAVOMUJUMCKEBX-LLVKDONJSA-N -1 0 319.369 -0.346 20 0 DBADRM C[C@@H]1C(=O)Nc2cccc(C(=O)[O-])c2N1C(=O)Cn1cnnn1 ZINC001594132080 1016962628 /nfs/dbraw/zinc/96/26/28/1016962628.db2.gz BXBQPQXNHZBFSM-SSDOTTSWSA-N -1 0 316.277 -0.255 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N(C)CC(C)(C)CO ZINC001594134648 1016960569 /nfs/dbraw/zinc/96/05/69/1016960569.db2.gz BOXFFSKWHWYMIC-VHSXEESVSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N(C)CCn1cccn1 ZINC001594136700 1016960990 /nfs/dbraw/zinc/96/09/90/1016960990.db2.gz ROAMCPGTCFBLKJ-QWRGUYRKSA-N -1 0 308.338 -0.337 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001594129026 1016961072 /nfs/dbraw/zinc/96/10/72/1016961072.db2.gz BBVZVJBWRUANOF-FTGAXOIBSA-N -1 0 323.349 -0.953 20 0 DBADRM CCCN(CCNC(=O)C[C@H]1CCNC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001420590426 1005313690 /nfs/dbraw/zinc/31/36/90/1005313690.db2.gz JIVCMZCNAXUENV-SNVBAGLBSA-N -1 0 324.385 -0.635 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001594129704 1016962036 /nfs/dbraw/zinc/96/20/36/1016962036.db2.gz UGASHQHKUGVQFL-SSDOTTSWSA-N -1 0 306.278 -0.635 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594127430 1016962309 /nfs/dbraw/zinc/96/23/09/1016962309.db2.gz ZZMWBBMOENBHRD-BBBLOLIVSA-N -1 0 304.368 -0.268 20 0 DBADRM C[C@@]1(c2ccc(C(=O)N[C@H](CF)C(=O)[O-])cc2)NC(=O)NC1=O ZINC001594071456 1016955822 /nfs/dbraw/zinc/95/58/22/1016955822.db2.gz CMEDXOICWFAXLI-OTYXRUKQSA-N -1 0 323.280 -0.106 20 0 DBADRM Cc1nccn1CC(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001420652515 1005330642 /nfs/dbraw/zinc/33/06/42/1005330642.db2.gz DGLULPYBSBJOCR-SECBINFHSA-N -1 0 307.358 -0.348 20 0 DBADRM C[C@@]1(c2ccc(C(=O)N3CC(C(=O)[O-])C3)cc2)NC(=O)NC1=O ZINC001594069934 1016956915 /nfs/dbraw/zinc/95/69/15/1016956915.db2.gz WHDKOMMVANQTGS-HNNXBMFYSA-N -1 0 317.301 -0.102 20 0 DBADRM Cc1ncc(CN(C)C[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001420665964 1005334441 /nfs/dbraw/zinc/33/44/41/1005334441.db2.gz RFBQQWLTCSBVMS-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001594120841 1016957924 /nfs/dbraw/zinc/95/79/24/1016957924.db2.gz YXVIDBZKFWGFNZ-ZETCQYMHSA-N -1 0 303.340 -0.300 20 0 DBADRM CC1=CCN(CCNS(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC001594114738 1016957981 /nfs/dbraw/zinc/95/79/81/1016957981.db2.gz FKXZXJTUBNUNDB-UHFFFAOYSA-N -1 0 305.400 -0.121 20 0 DBADRM C[C@@H]1C(=O)CC[C@H]1CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594122775 1016958670 /nfs/dbraw/zinc/95/86/70/1016958670.db2.gz QSDLCNXXBPKFBU-LPEHRKFASA-N -1 0 317.363 -0.298 20 0 DBADRM CC1=C(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)Cn2nnnc2N1C ZINC001594092567 1016958689 /nfs/dbraw/zinc/95/86/89/1016958689.db2.gz WVAKRYCODHSRKK-VXNVDRBHSA-N -1 0 306.326 -0.424 20 0 DBADRM COc1cnc([C@@H]2CCCN2C(=O)[C@@H](OC)C(=O)[O-])[nH]c1=O ZINC001594152971 1016968016 /nfs/dbraw/zinc/96/80/16/1016968016.db2.gz MIHVTUFGPHMLJC-IONNQARKSA-N -1 0 311.294 -0.046 20 0 DBADRM C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001594154149 1016967648 /nfs/dbraw/zinc/96/76/48/1016967648.db2.gz VJNOPELJUFPLGS-AXTSPUMRSA-N -1 0 304.368 -0.076 20 0 DBADRM COc1cccnc1CC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001594148449 1016967677 /nfs/dbraw/zinc/96/76/77/1016967677.db2.gz VBUPFRYJCIDWOH-UHFFFAOYSA-N -1 0 307.306 -0.612 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC001594140726 1016967729 /nfs/dbraw/zinc/96/77/29/1016967729.db2.gz GYHRWVHBGQGCFZ-HTQZYQBOSA-N -1 0 320.305 -0.559 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001594147373 1016968665 /nfs/dbraw/zinc/96/86/65/1016968665.db2.gz MIXVLQMELDKOKD-VHSXEESVSA-N -1 0 304.368 -0.962 20 0 DBADRM COc1cncc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC001594154711 1016968757 /nfs/dbraw/zinc/96/87/57/1016968757.db2.gz BUEGPYBNKNSRSU-NSHDSACASA-N -1 0 315.351 -0.026 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001594147640 1016968895 /nfs/dbraw/zinc/96/88/95/1016968895.db2.gz SRCINPHHDGUSTL-UWVGGRQHSA-N -1 0 308.338 -0.297 20 0 DBADRM COc1cncc(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC001594155013 1016969034 /nfs/dbraw/zinc/96/90/34/1016969034.db2.gz NWPRWIRECUZSJO-BDAKNGLRSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1ccnc(CNC(=O)c2cn(CC(=O)[O-])nn2)c1F ZINC001594150994 1016969117 /nfs/dbraw/zinc/96/91/17/1016969117.db2.gz TYXSYIZEHATGAK-UHFFFAOYSA-N -1 0 309.257 -0.165 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(C(=O)[C@H](C(=O)[O-])C2CC2)CCO1 ZINC001594165343 1016972544 /nfs/dbraw/zinc/97/25/44/1016972544.db2.gz PRWUNYRNAWNFRA-VHSXEESVSA-N -1 0 305.352 -0.631 20 0 DBADRM COc1cncc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001594155267 1016969890 /nfs/dbraw/zinc/96/98/90/1016969890.db2.gz WQWWESYNRRBJEG-UHFFFAOYSA-N -1 0 308.294 -0.253 20 0 DBADRM CS(=O)(=O)C1(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001594162101 1016970015 /nfs/dbraw/zinc/97/00/15/1016970015.db2.gz LFOXXFJRBDYQGW-ZJUUUORDSA-N -1 0 319.379 -0.050 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CC[C@H](C(=O)[O-])C2)CCOCC1 ZINC001594162670 1016970100 /nfs/dbraw/zinc/97/01/00/1016970100.db2.gz UHILSJATORJEHT-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)[O-])CC1 ZINC001594164641 1016972794 /nfs/dbraw/zinc/97/27/94/1016972794.db2.gz VKVKITDDVIZLTE-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM COc1cncnc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001594155031 1016970699 /nfs/dbraw/zinc/97/06/99/1016970699.db2.gz OMNNHVVCNGRCQI-DTWKUNHWSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001594162011 1016970727 /nfs/dbraw/zinc/97/07/27/1016970727.db2.gz VSNBSGUNXYIECA-IUCAKERBSA-N -1 0 324.337 -0.064 20 0 DBADRM COc1ncc(NC(=O)[C@]2(C(=O)[O-])CCCO2)cc1C(N)=O ZINC001594160760 1016970751 /nfs/dbraw/zinc/97/07/51/1016970751.db2.gz ZZXAFTACILZPBL-ZDUSSCGKSA-N -1 0 309.278 -0.239 20 0 DBADRM COc1nc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])co1 ZINC001594156101 1016970852 /nfs/dbraw/zinc/97/08/52/1016970852.db2.gz JKIDLYNEWXHCLX-ZETCQYMHSA-N -1 0 304.280 -0.993 20 0 DBADRM COc1ncccc1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001594159575 1016970962 /nfs/dbraw/zinc/97/09/62/1016970962.db2.gz RQBXOTOVTKSSOW-SNVBAGLBSA-N -1 0 323.305 -0.982 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)nc1 ZINC001594155330 1016971087 /nfs/dbraw/zinc/97/10/87/1016971087.db2.gz WBORLWLRROVKKN-PSASIEDQSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1nccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001594160647 1016971490 /nfs/dbraw/zinc/97/14/90/1016971490.db2.gz UDCYYQXSTDWDGN-UHFFFAOYSA-N -1 0 308.294 -0.253 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594163264 1016971782 /nfs/dbraw/zinc/97/17/82/1016971782.db2.gz AUZCRGJMBVKYGA-PSASIEDQSA-N -1 0 318.351 -0.358 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC001594170928 1016978708 /nfs/dbraw/zinc/97/87/08/1016978708.db2.gz XDHVOFGNHWTRCV-ZPPKWKGLSA-N -1 0 316.379 -0.006 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001594164396 1016973313 /nfs/dbraw/zinc/97/33/13/1016973313.db2.gz UXHGMBHGNIUIHN-SKDRFNHKSA-N -1 0 305.352 -0.487 20 0 DBADRM CS(=O)(=O)CCC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001594165583 1016973324 /nfs/dbraw/zinc/97/33/24/1016973324.db2.gz WBBUXMMMWUGTNW-UHFFFAOYSA-N -1 0 307.368 -0.097 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCC(=O)[O-])C1 ZINC001594163965 1016973588 /nfs/dbraw/zinc/97/35/88/1016973588.db2.gz IWMSBBMYNRFSOL-DTWKUNHWSA-N -1 0 320.367 -0.951 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001594163990 1016973852 /nfs/dbraw/zinc/97/38/52/1016973852.db2.gz JQUQBGCDZQZGAI-LBPRGKRZSA-N -1 0 305.352 -0.344 20 0 DBADRM CS(=O)(=O)CCNC(=S)NC[C@H](C(=O)[O-])C1CCC1 ZINC001594164952 1016974501 /nfs/dbraw/zinc/97/45/01/1016974501.db2.gz GWPVYOLPWXEATM-VIFPVBQESA-N -1 0 308.425 -0.004 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001594164325 1016974585 /nfs/dbraw/zinc/97/45/85/1016974585.db2.gz SFSCQWHUEMLTOD-GKQMSVHHSA-N -1 0 317.319 -0.487 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC001594169980 1016976623 /nfs/dbraw/zinc/97/66/23/1016976623.db2.gz GNGRDDYRDBWQQL-SNVBAGLBSA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)Cc1noc(COC(=O)[C@H](C(=O)[O-])C2CC2)n1 ZINC001594168325 1016977140 /nfs/dbraw/zinc/97/71/40/1016977140.db2.gz PZCYFAGVJHDNEL-VIFPVBQESA-N -1 0 318.307 -0.232 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)OCC(=O)NCC(=O)[O-])cs1 ZINC001594171864 1016978361 /nfs/dbraw/zinc/97/83/61/1016978361.db2.gz BGRWWBSJVITABP-UHFFFAOYSA-N -1 0 321.332 -0.491 20 0 DBADRM C[S@@](=O)CCNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594177644 1016978508 /nfs/dbraw/zinc/97/85/08/1016978508.db2.gz AIJGKOYTAISSFO-AOUSDQRYSA-N -1 0 319.383 -0.870 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC001594178215 1016978684 /nfs/dbraw/zinc/97/86/84/1016978684.db2.gz HQROOTLNUUWJGT-QZXWKGOOSA-N -1 0 302.396 -0.380 20 0 DBADRM CS(=O)(=O)c1nnc(CN2CCOC[C@@H]2C(=O)[O-])s1 ZINC001594178290 1016979297 /nfs/dbraw/zinc/97/92/97/1016979297.db2.gz JFDFVVKNCLQJAV-ZCFIWIBFSA-N -1 0 307.353 -0.773 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001594170721 1016979944 /nfs/dbraw/zinc/97/99/44/1016979944.db2.gz SHNKVGPBTOGAOD-UHFFFAOYSA-N -1 0 316.379 -0.052 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001594170824 1016980281 /nfs/dbraw/zinc/98/02/81/1016980281.db2.gz VUORHBANPSOZKE-LPEHRKFASA-N -1 0 304.368 -0.505 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001594177684 1016980292 /nfs/dbraw/zinc/98/02/92/1016980292.db2.gz BMPPQYPRYGTUOS-MRVPVSSYSA-N -1 0 305.356 -0.253 20 0 DBADRM C[S@@](=O)C1(CNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC001594178553 1016981045 /nfs/dbraw/zinc/98/10/45/1016981045.db2.gz LISYLUZNRWOEHE-JLTPVHFHSA-N -1 0 316.379 -0.663 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001594179841 1016981251 /nfs/dbraw/zinc/98/12/51/1016981251.db2.gz RIDMCSLQHIVHCB-RKDXNWHRSA-N -1 0 315.351 -0.385 20 0 DBADRM CS(=O)(=O)c1nccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC001594179444 1016981796 /nfs/dbraw/zinc/98/17/96/1016981796.db2.gz WCGCWDBDAJHBBS-SFYZADRCSA-N -1 0 313.335 -0.137 20 0 DBADRM C[C@@H]1[C@H](C)N(Cn2nc(C(=O)[O-])ccc2=O)CCS1(=O)=O ZINC001594179835 1016981940 /nfs/dbraw/zinc/98/19/40/1016981940.db2.gz RESAWLHMJXRLED-DTWKUNHWSA-N -1 0 315.351 -0.594 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594179896 1016982139 /nfs/dbraw/zinc/98/21/39/1016982139.db2.gz SEYUKBCRTLOCCK-QKXJBXMVSA-N -1 0 316.379 -0.666 20 0 DBADRM CS[C@@H]1CCC[C@H](NC(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC001594182056 1016982358 /nfs/dbraw/zinc/98/23/58/1016982358.db2.gz ZPXVPRIQBJADOQ-VHSXEESVSA-N -1 0 318.395 -0.006 20 0 DBADRM C[C@@H](C(=O)OCC(=O)C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001594199124 1016983811 /nfs/dbraw/zinc/98/38/11/1016983811.db2.gz HHLZLCMBTHMJBZ-XHNCKOQMSA-N -1 0 311.290 -0.253 20 0 DBADRM C[C@H]1[C@H](OC(=O)Cn2cccc(C(=O)[O-])c2=O)CC(=O)N1C ZINC001594191825 1016983926 /nfs/dbraw/zinc/98/39/26/1016983926.db2.gz FQWRUNCEOGJSFR-WCBMZHEXSA-N -1 0 308.290 -0.291 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001594198212 1016984229 /nfs/dbraw/zinc/98/42/29/1016984229.db2.gz DEMNBRLNNHHNTK-QMMMGPOBSA-N -1 0 322.321 -0.601 20 0 DBADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)CN(C)S(C)(=O)=O ZINC001594205766 1016984681 /nfs/dbraw/zinc/98/46/81/1016984681.db2.gz KOHKHSAGEJMATK-IUCAKERBSA-N -1 0 306.384 -0.022 20 0 DBADRM CC1CC(C(=O)NC[C@H](O)CNc2ccnc(C(=O)[O-])n2)C1 ZINC001594203151 1016984843 /nfs/dbraw/zinc/98/48/43/1016984843.db2.gz DIQQOIWTWSCSKQ-UDNWOFFPSA-N -1 0 308.338 -0.468 20 0 DBADRM C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)[O-] ZINC001594203602 1016985431 /nfs/dbraw/zinc/98/54/31/1016985431.db2.gz BUXQTTOEXWUWOR-SSDOTTSWSA-N -1 0 316.339 -0.074 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001594225928 1016987249 /nfs/dbraw/zinc/98/72/49/1016987249.db2.gz CVUOUJRWGJMITM-RNCFNFMXSA-N -1 0 319.379 -0.193 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC001594217827 1016987561 /nfs/dbraw/zinc/98/75/61/1016987561.db2.gz CAYVSMVSXNYOLS-OUAUKWLOSA-N -1 0 318.395 -0.431 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001594220933 1016988334 /nfs/dbraw/zinc/98/83/34/1016988334.db2.gz GOUHMSMLRVWHDC-RNCFNFMXSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1C[C@H](C)[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])O1 ZINC001594215932 1016988490 /nfs/dbraw/zinc/98/84/90/1016988490.db2.gz CHPBMLRYVXHXGE-MIZYBKAJSA-N -1 0 319.379 -0.100 20 0 DBADRM C[C@H](NC(N)=O)C(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001594240627 1016989713 /nfs/dbraw/zinc/98/97/13/1016989713.db2.gz DYSIZAFGKRFBJF-IVZWLZJFSA-N -1 0 323.353 -0.506 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)[O-])C(=O)N(C)C ZINC001594233248 1016989832 /nfs/dbraw/zinc/98/98/32/1016989832.db2.gz RNRSIYGPNUPYQS-QMMMGPOBSA-N -1 0 307.306 -0.084 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CCS1(=O)=O ZINC001594245241 1016989913 /nfs/dbraw/zinc/98/99/13/1016989913.db2.gz GWTINTWJDYYGGY-GARJFASQSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])C1 ZINC001594243770 1016990376 /nfs/dbraw/zinc/99/03/76/1016990376.db2.gz POIQRDMBWMDTOH-WOPDTQHZSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCOCC(=O)[O-])C[C@H](C)O1 ZINC001594245435 1016990383 /nfs/dbraw/zinc/99/03/83/1016990383.db2.gz PFJMYNDSMORFHH-ZJUUUORDSA-N -1 0 302.327 -0.770 20 0 DBADRM Cc1c(C(=O)NC[C@@](C)(O)C(=O)[O-])nnn1Cc1ccncc1 ZINC001594257145 1016992379 /nfs/dbraw/zinc/99/23/79/1016992379.db2.gz CWDJJEZZLVVIMT-CQSZACIVSA-N -1 0 319.321 -0.405 20 0 DBADRM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)[C@@H](C)C(=O)[O-] ZINC001594254090 1016993377 /nfs/dbraw/zinc/99/33/77/1016993377.db2.gz RPSROXFTDVDUSH-SECBINFHSA-N -1 0 310.354 -0.006 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c2ncnn21 ZINC001594253187 1016993468 /nfs/dbraw/zinc/99/34/68/1016993468.db2.gz NAWNPVMEMYNKSI-KYXWUPHJSA-N -1 0 309.326 -0.239 20 0 DBADRM Cc1c(C(=O)N2CCC[C@H]2C(=O)[O-])nnn1-c1ccn(C)n1 ZINC001594256497 1016993504 /nfs/dbraw/zinc/99/35/04/1016993504.db2.gz GFMOHEHFRWUUFQ-VIFPVBQESA-N -1 0 304.310 -0.002 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)[C@H](C)O1 ZINC001594248999 1016993925 /nfs/dbraw/zinc/99/39/25/1016993925.db2.gz ILIQZQUSGZEAOO-KJPMQGKISA-N -1 0 314.338 -0.631 20 0 DBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1CN1C[C@H](C(=O)[O-])CC1=O ZINC001594251029 1016994129 /nfs/dbraw/zinc/99/41/29/1016994129.db2.gz RBQABCGVXZXWCL-UPJWGTAASA-N -1 0 311.382 -0.328 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CO1 ZINC001594250823 1016994318 /nfs/dbraw/zinc/99/43/18/1016994318.db2.gz YAZQEJRARGXNIF-IXJGYNTHSA-N -1 0 310.350 -0.105 20 0 DBADRM C[C@@H]1CCC[C@H](NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1 ZINC001594350594 1016999758 /nfs/dbraw/zinc/99/97/58/1016999758.db2.gz RNWXBQAVBASINN-WISYIIOYSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001594367562 1016999932 /nfs/dbraw/zinc/99/99/32/1016999932.db2.gz VMZACHRAZAZHSU-KXNHARMFSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1CC[C@H](N2C(=O)N[C@H](CCC(=O)[O-])C2=O)CS1(=O)=O ZINC001594309688 1017000343 /nfs/dbraw/zinc/00/03/43/1017000343.db2.gz CJCBOHJHTSDYSO-HRDYMLBCSA-N -1 0 318.351 -0.263 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)nnn1C ZINC001594263495 1016996645 /nfs/dbraw/zinc/99/66/45/1016996645.db2.gz XWKLTTOTPUNBAO-CBAPKCEASA-N -1 0 309.326 -0.369 20 0 DBADRM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)OCC(=O)C(=O)[O-] ZINC001594263003 1016997221 /nfs/dbraw/zinc/99/72/21/1016997221.db2.gz YHVDMARKCRGPTN-UHFFFAOYSA-N -1 0 319.266 -0.408 20 0 DBADRM C[C@H]1C[C@H](NS(=O)(=O)c2scnc2C(=O)[O-])C(=O)O1 ZINC001594267117 1016997573 /nfs/dbraw/zinc/99/75/73/1016997573.db2.gz VGCGRSBBHBLXRY-WHFBIAKZSA-N -1 0 306.321 -0.176 20 0 DBADRM C[C@@H]1C[C@H](S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])CCO1 ZINC001594265356 1016997720 /nfs/dbraw/zinc/99/77/20/1016997720.db2.gz BCGHVQYZNQXNOH-ZNSHCXBVSA-N -1 0 307.368 -0.206 20 0 DBADRM Cc1c(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)cnn1C ZINC001594262056 1016997827 /nfs/dbraw/zinc/99/78/27/1016997827.db2.gz QSYYWSGLTDYSHP-LLVKDONJSA-N -1 0 308.338 -0.332 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[C@H]1CCO ZINC001594377725 1017001963 /nfs/dbraw/zinc/00/19/63/1017001963.db2.gz CJJUPUVHPKGDCC-YFKTTZPYSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H]1CCCN(C(=O)CN2CCC[C@H]2C(=O)NCC(=O)[O-])C1 ZINC001594377517 1017002635 /nfs/dbraw/zinc/00/26/35/1017002635.db2.gz FSEOGJUWUGNUBH-RYUDHWBXSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])C1 ZINC001594378610 1017003132 /nfs/dbraw/zinc/00/31/32/1017003132.db2.gz LFWARRATGKZALG-GHMZBOCLSA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)[C@@H]1CO ZINC001594392267 1017003496 /nfs/dbraw/zinc/00/34/96/1017003496.db2.gz DJALMBSDQBECAO-DDHJBXDOSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C[C@@H]1CO ZINC001594392657 1017003511 /nfs/dbraw/zinc/00/35/11/1017003511.db2.gz IRZQTEIQHUFNEN-QTAHKJALSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H]1CCCN(C(=O)CN2CCC[C@@H]2C(=O)NCC(=O)[O-])C1 ZINC001594377516 1017004028 /nfs/dbraw/zinc/00/40/28/1017004028.db2.gz FSEOGJUWUGNUBH-NWDGAFQWSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)[C@H]1CO ZINC001594395181 1017005737 /nfs/dbraw/zinc/00/57/37/1017005737.db2.gz ZNEBUQFLACQMRN-APPZFPTMSA-N -1 0 310.310 -0.714 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)[C@@H]1CO ZINC001594395186 1017006119 /nfs/dbraw/zinc/00/61/19/1017006119.db2.gz ZNEBUQFLACQMRN-IONNQARKSA-N -1 0 310.310 -0.714 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)[C@@H](C(=O)[O-])C1 ZINC001594411535 1017006744 /nfs/dbraw/zinc/00/67/44/1017006744.db2.gz PSUHMKKETLHXMX-ADEWGFFLSA-N -1 0 311.338 -0.438 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)c1cnn(C)n1 ZINC001496712000 1017012388 /nfs/dbraw/zinc/01/23/88/1017012388.db2.gz VHPUQOIVKFRWNP-UHFFFAOYSA-N -1 0 321.341 -0.556 20 0 DBADRM C[C@H]1CCN(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)C1 ZINC001594403030 1017006895 /nfs/dbraw/zinc/00/68/95/1017006895.db2.gz ORTNRBJIXLEHKC-HOTUBEGUSA-N -1 0 304.368 -0.074 20 0 DBADRM Cc1cccc([C@H](NC(=O)c2cn(CC(N)=O)nn2)C(=O)[O-])c1 ZINC001594399959 1017007054 /nfs/dbraw/zinc/00/70/54/1017007054.db2.gz VKRBOYPTHAJSCQ-LBPRGKRZSA-N -1 0 317.305 -0.372 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NC(=O)COCc1ocnc1C(=O)[O-] ZINC001594439003 1017012389 /nfs/dbraw/zinc/01/23/89/1017012389.db2.gz KIQYJUONTJNJID-XVKPBYJWSA-N -1 0 311.294 -0.470 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@H]1CO ZINC001594394776 1017007133 /nfs/dbraw/zinc/00/71/33/1017007133.db2.gz XFWZEUXSVYPEAQ-WYUUTHIRSA-N -1 0 312.366 -0.167 20 0 DBADRM Cc1ccnc2nc(C(=O)Nc3ncn(CC(=O)[O-])n3)nn21 ZINC001594425264 1017008550 /nfs/dbraw/zinc/00/85/50/1017008550.db2.gz STGBEKXBTWMUAW-UHFFFAOYSA-N -1 0 302.254 -0.639 20 0 DBADRM C[C@@H]1CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)CC[S@@]1=O ZINC001594421778 1017008749 /nfs/dbraw/zinc/00/87/49/1017008749.db2.gz BCPVJDGKRYDUFQ-HZNYWTHISA-N -1 0 302.396 -0.095 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N(C)CCC(=O)[O-] ZINC001594430007 1017008845 /nfs/dbraw/zinc/00/88/45/1017008845.db2.gz LNDAJZNLQGHJBR-UHFFFAOYSA-N -1 0 301.324 -0.265 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001594427750 1017008902 /nfs/dbraw/zinc/00/89/02/1017008902.db2.gz RTZSEECOVSEIMX-JOYOIKCWSA-N -1 0 317.367 -0.122 20 0 DBADRM Cc1cnc2nc(C(=O)O[C@@H]3CCN(CC(=O)[O-])C3=O)nn2c1 ZINC001594432681 1017009147 /nfs/dbraw/zinc/00/91/47/1017009147.db2.gz UXYFPJJHJPRRBY-MRVPVSSYSA-N -1 0 319.277 -0.725 20 0 DBADRM Cc1cn2nc(C(=O)Nc3cnn(CC(=O)[O-])c3)cc2c(=O)[nH]1 ZINC001594426526 1017009390 /nfs/dbraw/zinc/00/93/90/1017009390.db2.gz JNMWDBBALAIDGG-UHFFFAOYSA-N -1 0 316.277 -0.136 20 0 DBADRM Cc1cnc(CCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC001594426944 1017009506 /nfs/dbraw/zinc/00/95/06/1017009506.db2.gz DJCPCTPZRPOJLS-SNVBAGLBSA-N -1 0 306.322 -0.623 20 0 DBADRM CC1CCN(S(=O)(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CC1 ZINC001594428969 1017010213 /nfs/dbraw/zinc/01/02/13/1017010213.db2.gz LAEQBTFTNMWVTH-JTQLQIEISA-N -1 0 322.383 -0.231 20 0 DBADRM Cc1cn2ccnc(C(=O)NCCOCCOCC(=O)[O-])c2n1 ZINC001594427504 1017010295 /nfs/dbraw/zinc/01/02/95/1017010295.db2.gz ZEKAFYKAXFTMLB-UHFFFAOYSA-N -1 0 322.321 -0.115 20 0 DBADRM Cc1cnc(CCNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])cn1 ZINC001594428836 1017010477 /nfs/dbraw/zinc/01/04/77/1017010477.db2.gz LIWLBILUTSVYBB-NSHDSACASA-N -1 0 314.367 -0.289 20 0 DBADRM Cc1ccn(CC(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)c(=O)c1 ZINC001594421717 1017010520 /nfs/dbraw/zinc/01/05/20/1017010520.db2.gz XXTNNQSITXINSJ-SNVBAGLBSA-N -1 0 308.290 -0.615 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2cnc(N)nc2)[C@H](C(=O)[O-])C1 ZINC001594432057 1017010582 /nfs/dbraw/zinc/01/05/82/1017010582.db2.gz QIBBGWTUGVBSDU-APPZFPTMSA-N -1 0 300.340 -0.067 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)C[C@H]2CCNC2=O)c1[O-] ZINC001428664420 1005980956 /nfs/dbraw/zinc/98/09/56/1005980956.db2.gz QPSGQDRWVIJOKQ-VXNVDRBHSA-N -1 0 323.353 -0.816 20 0 DBADRM C[C@H]1CCOCCN1C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001594439768 1017011437 /nfs/dbraw/zinc/01/14/37/1017011437.db2.gz BQPRUVRVJAQICA-DDIVZENXSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1occc1C(=O)[O-] ZINC001594439846 1017011492 /nfs/dbraw/zinc/01/14/92/1017011492.db2.gz XCTDESLMIPSFGY-HTRCEHHLSA-N -1 0 302.308 -0.219 20 0 DBADRM Cc1cnn(C)c1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594434728 1017012164 /nfs/dbraw/zinc/01/21/64/1017012164.db2.gz RJXXUJPSBBQVSO-JTQLQIEISA-N -1 0 308.338 -0.076 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001594439313 1017012262 /nfs/dbraw/zinc/01/22/62/1017012262.db2.gz PIIBBMJOYHURLW-PSASIEDQSA-N -1 0 304.368 -0.315 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C[C@@H](C2CC2)O1 ZINC001594457703 1017017104 /nfs/dbraw/zinc/01/71/04/1017017104.db2.gz IZRVKMQMGXENFX-HGNGGELXSA-N -1 0 302.302 -0.449 20 0 DBADRM CC[C@]1(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001496718889 1017017111 /nfs/dbraw/zinc/01/71/11/1017017111.db2.gz SPIUKBIIKURMCF-AWEZNQCLSA-N -1 0 324.385 -0.683 20 0 DBADRM CC(C)CCC(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001428731198 1006010556 /nfs/dbraw/zinc/01/05/56/1006010556.db2.gz SIIFUENUZIFDJZ-QMMMGPOBSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC(=O)N1C ZINC001594459571 1017017370 /nfs/dbraw/zinc/01/73/70/1017017370.db2.gz YTEHGCBNMYUEGU-AEJSXWLSSA-N -1 0 311.338 -0.955 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])CC(=O)N1 ZINC001594458831 1017018419 /nfs/dbraw/zinc/01/84/19/1017018419.db2.gz LCWAEFUDFVQLHV-SSDOTTSWSA-N -1 0 323.280 -0.191 20 0 DBADRM CC[C@H](OC)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001440246872 1006025600 /nfs/dbraw/zinc/02/56/00/1006025600.db2.gz KDYSKRASCAYWPW-ZJUUUORDSA-N -1 0 313.358 -0.748 20 0 DBADRM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001594449015 1017012830 /nfs/dbraw/zinc/01/28/30/1017012830.db2.gz XTEFLKHWWIRIQY-ZHAHWJHGSA-N -1 0 318.337 -0.063 20 0 DBADRM Cc1nonc1CC(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001440259587 1006032163 /nfs/dbraw/zinc/03/21/63/1006032163.db2.gz YOKKSOCBAVDSAG-VIFPVBQESA-N -1 0 321.341 -0.523 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001594438421 1017013069 /nfs/dbraw/zinc/01/30/69/1017013069.db2.gz FFVJARJLPYYHSX-OIBJUYFYSA-N -1 0 322.321 -0.697 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001594439641 1017013115 /nfs/dbraw/zinc/01/31/15/1017013115.db2.gz VGKYETVYCGZDFN-HZGVNTEJSA-N -1 0 302.308 -0.219 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594439871 1017013239 /nfs/dbraw/zinc/01/32/39/1017013239.db2.gz XOJVRPNRRPVRDH-UFBFGSQYSA-N -1 0 306.322 -0.168 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001594438876 1017013518 /nfs/dbraw/zinc/01/35/18/1017013518.db2.gz IOHNNYMJRWWLSF-XVKPBYJWSA-N -1 0 313.335 -0.417 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C[C@@H](C2CC2)O1 ZINC001594457705 1017018797 /nfs/dbraw/zinc/01/87/97/1017018797.db2.gz IZRVKMQMGXENFX-JEZHCXPESA-N -1 0 302.302 -0.449 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C[C@@]1(C)CO ZINC001594453344 1017014788 /nfs/dbraw/zinc/01/47/88/1017014788.db2.gz GRMCCYHFGYCZMQ-QQDVIXKTSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](C)(C(=O)[O-])C2)CC(=O)N1 ZINC001594455239 1017014978 /nfs/dbraw/zinc/01/49/78/1017014978.db2.gz SBAMOYROJZDTRB-OTYXRUKQSA-N -1 0 311.338 -0.953 20 0 DBADRM Cc1nc(N2CCN3[C@H](CNS3(=O)=O)C2)sc1C(=O)[O-] ZINC001594456880 1017018806 /nfs/dbraw/zinc/01/88/06/1017018806.db2.gz ROABBBFZCUOATH-SSDOTTSWSA-N -1 0 318.380 -0.512 20 0 DBADRM Cc1nnc([C@@H]2CCCN(C(=O)C(=O)NCCC(=O)[O-])C2)[nH]1 ZINC001594451443 1017015297 /nfs/dbraw/zinc/01/52/97/1017015297.db2.gz BOJSPEFUTPMCNH-SECBINFHSA-N -1 0 309.326 -0.590 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C[C@]1(C)CO ZINC001594455743 1017015868 /nfs/dbraw/zinc/01/58/68/1017015868.db2.gz WCVNQRJSKDKQRJ-JNIYBQFBSA-N -1 0 312.366 -0.358 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC(C)(C)O1 ZINC001594453762 1017016306 /nfs/dbraw/zinc/01/63/06/1017016306.db2.gz JHPCVCCVQGXVOO-ZJUUUORDSA-N -1 0 314.338 -0.676 20 0 DBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)COCC(=O)[O-] ZINC001594463745 1017019506 /nfs/dbraw/zinc/01/95/06/1017019506.db2.gz HPEHUDUDXPLSCP-UHFFFAOYSA-N -1 0 308.294 -0.231 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C2 ZINC001594465333 1017019586 /nfs/dbraw/zinc/01/95/86/1017019586.db2.gz ACMHCHLDNKUJIO-JTQLQIEISA-N -1 0 321.337 -0.748 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])CC(=O)N1 ZINC001594459509 1017019608 /nfs/dbraw/zinc/01/96/08/1017019608.db2.gz UFIOZPOWGKHMRL-LURJTMIESA-N -1 0 311.319 -0.268 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])C[C@@]2(CCOC2)O1 ZINC001594458808 1017019632 /nfs/dbraw/zinc/01/96/32/1017019632.db2.gz REHJLQIMHAGXRG-IINYFYTJSA-N -1 0 314.338 -0.626 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001594469167 1017020354 /nfs/dbraw/zinc/02/03/54/1017020354.db2.gz XQLLNZXXGLPAQF-SSDOTTSWSA-N -1 0 315.351 -0.170 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)C1(C(=O)[O-])CCOCC1)CC2 ZINC001594466247 1017021728 /nfs/dbraw/zinc/02/17/28/1017021728.db2.gz XFHIATZAMJSOSR-SNVBAGLBSA-N -1 0 308.338 -0.101 20 0 DBADRM C[C@H]1CN(C(=O)CN[C@]2(C(=O)[O-])CCOC2)CC(C)(C)O1 ZINC001594469093 1017021870 /nfs/dbraw/zinc/02/18/70/1017021870.db2.gz SVUCORODKUNCKZ-IINYFYTJSA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@H]1CN(C(=O)CCCc2nnn[n-]2)CC[N@@H+]1CCC(=O)[O-] ZINC001594465963 1017022288 /nfs/dbraw/zinc/02/22/88/1017022288.db2.gz XREYBTZTIOIXKJ-JTQLQIEISA-N -1 0 310.358 -0.470 20 0 DBADRM C[C@@H]1CN(C(=O)CN[C@H](Cc2cncs2)C(=O)[O-])CCO1 ZINC001594467264 1017022964 /nfs/dbraw/zinc/02/29/64/1017022964.db2.gz BSQDWIUCQASUFE-MWLCHTKSSA-N -1 0 313.379 -0.024 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)C[C@H](C)S1(=O)=O ZINC001594471475 1017024287 /nfs/dbraw/zinc/02/42/87/1017024287.db2.gz XFQXBHZAMVTZOC-IUCAKERBSA-N -1 0 315.351 -0.385 20 0 DBADRM Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001594482083 1017024564 /nfs/dbraw/zinc/02/45/64/1017024564.db2.gz BTNZHJWCWSFWCY-UHFFFAOYSA-N -1 0 322.365 -0.024 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001594480611 1017024658 /nfs/dbraw/zinc/02/46/58/1017024658.db2.gz RUPUKBZBRPTIRD-HZMBPMFUSA-N -1 0 311.338 -0.180 20 0 DBADRM Cc1nn(C)cc1-c1cn([C@H]2CCN(CC(=O)[O-])C2=O)nn1 ZINC001594484077 1017024760 /nfs/dbraw/zinc/02/47/60/1017024760.db2.gz AUFXYWHAMMSWGZ-NSHDSACASA-N -1 0 304.310 -0.155 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)c1cnc(C(=O)[O-])cn1 ZINC001594480459 1017025225 /nfs/dbraw/zinc/02/52/25/1017025225.db2.gz NTDOGOWTCPINNN-NSHDSACASA-N -1 0 319.321 -0.011 20 0 DBADRM C[C@@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])CC[C@@H]1O ZINC001594472899 1017024937 /nfs/dbraw/zinc/02/49/37/1017024937.db2.gz DWRSLERJSKGNGI-ZJUUUORDSA-N -1 0 301.343 -0.620 20 0 DBADRM CCC(=O)NCC[C@@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001428939426 1006140475 /nfs/dbraw/zinc/14/04/75/1006140475.db2.gz CIHDXAMSAAZGDU-MRVPVSSYSA-N -1 0 311.342 -0.364 20 0 DBADRM Cc1nccc(N2CCN([C@H]3CCN(CC(=O)[O-])C3=O)CC2)n1 ZINC001594471449 1017025600 /nfs/dbraw/zinc/02/56/00/1017025600.db2.gz ZXCDMNJLQHABNQ-LBPRGKRZSA-N -1 0 319.365 -0.407 20 0 DBADRM Cc1ncsc1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001594476522 1017026512 /nfs/dbraw/zinc/02/65/12/1017026512.db2.gz IDXUNSORMDNJLG-MRVPVSSYSA-N -1 0 313.335 -0.620 20 0 DBADRM Cc1nccn1C[C@H](C)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001594474923 1017026615 /nfs/dbraw/zinc/02/66/15/1017026615.db2.gz HWFOCQIWBDJYDM-PWSUYJOCSA-N -1 0 322.365 -0.123 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](O)CNC(=O)c1cnc(C(=O)[O-])cn1 ZINC001594480452 1017026656 /nfs/dbraw/zinc/02/66/56/1017026656.db2.gz NTDOGOWTCPINNN-LLVKDONJSA-N -1 0 319.321 -0.011 20 0 DBADRM Cc1nn(C)cc1CCC(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001594484569 1017026729 /nfs/dbraw/zinc/02/67/29/1017026729.db2.gz RXVWTMNMPQFYTA-LLVKDONJSA-N -1 0 309.322 -0.110 20 0 DBADRM Cc1nn(C)c(C)c1CCNC(=O)C(=O)N(C)CCC(=O)[O-] ZINC001594482484 1017026805 /nfs/dbraw/zinc/02/68/05/1017026805.db2.gz VXBHSQXHBRWPHY-UHFFFAOYSA-N -1 0 310.354 -0.371 20 0 DBADRM Cc1nnccc1NC(=O)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001594494063 1017028017 /nfs/dbraw/zinc/02/80/17/1017028017.db2.gz OXNSAFLTAPVUKP-JTQLQIEISA-N -1 0 318.293 -0.601 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)O[C@H]1C(=O)[O-] ZINC001594485649 1017028436 /nfs/dbraw/zinc/02/84/36/1017028436.db2.gz MSGKAOGPTTYSHO-KSSYENDESA-N -1 0 314.382 -0.222 20 0 DBADRM Cc1nnc(COCC(=O)Nc2ncn(CC(=O)[O-])n2)s1 ZINC001594493014 1017028742 /nfs/dbraw/zinc/02/87/42/1017028742.db2.gz PWZDZQQMAYVTKC-UHFFFAOYSA-N -1 0 312.311 -0.322 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1C ZINC001594491320 1017028821 /nfs/dbraw/zinc/02/88/21/1017028821.db2.gz RRZJSJDPINFPSV-UHFFFAOYSA-N -1 0 309.326 -0.889 20 0 DBADRM Cc1nnc(N2CCN(C(=O)[C@]3(C(=O)[O-])C[C@H]3C)CC2)n1C ZINC001594493059 1017028829 /nfs/dbraw/zinc/02/88/29/1017028829.db2.gz RWXRCGXICHFDIQ-OTYXRUKQSA-N -1 0 307.354 -0.117 20 0 DBADRM O=C(c1ccc[nH]1)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001440540099 1006182523 /nfs/dbraw/zinc/18/25/23/1006182523.db2.gz KPBOBIKNOFHKKF-CQSZACIVSA-N -1 0 320.353 -0.405 20 0 DBADRM Cc1nnc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])s1 ZINC001594490901 1017029038 /nfs/dbraw/zinc/02/90/38/1017029038.db2.gz UWARJRPQAQWHFM-LURJTMIESA-N -1 0 305.337 -0.830 20 0 DBADRM Cc1nnc(CN(C)CC(=O)Nc2ccn(CC(=O)[O-])n2)n1C ZINC001594491295 1017029096 /nfs/dbraw/zinc/02/90/96/1017029096.db2.gz QKAQXVAOCGBSON-UHFFFAOYSA-N -1 0 321.341 -0.525 20 0 DBADRM Cc1nn(CCS(=O)(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(=O)o1 ZINC001594489110 1017029563 /nfs/dbraw/zinc/02/95/63/1017029563.db2.gz QOHRVAGWILSABZ-LLVKDONJSA-N -1 0 319.339 -0.729 20 0 DBADRM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1cc(C(=O)[O-])nn1C ZINC001594489189 1017029576 /nfs/dbraw/zinc/02/95/76/1017029576.db2.gz NOYZRPPROLWZHF-VHSXEESVSA-N -1 0 310.354 -0.355 20 0 DBADRM Cc1nn(CC(=O)N(CCC(=O)[O-])C2CCOCC2)c(=O)o1 ZINC001594486689 1017029703 /nfs/dbraw/zinc/02/97/03/1017029703.db2.gz BFFDPDZGFJHKCD-UHFFFAOYSA-N -1 0 313.310 -0.373 20 0 DBADRM COCCN(CCOC)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001440567745 1006207076 /nfs/dbraw/zinc/20/70/76/1006207076.db2.gz XLFYEBPFRQFGAX-UHFFFAOYSA-N -1 0 320.353 -0.190 20 0 DBADRM C[C@H]1CN(C(=O)c2cnc(C(=O)[O-])cn2)C[C@H](C)S1(=O)=O ZINC001594496395 1017031748 /nfs/dbraw/zinc/03/17/48/1017031748.db2.gz MSJYQXJRZMYPQK-YUMQZZPRSA-N -1 0 313.335 -0.178 20 0 DBADRM C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001594507896 1017032240 /nfs/dbraw/zinc/03/22/40/1017032240.db2.gz ORCYAGSSWVZGNH-XCBNKYQSSA-N -1 0 314.367 -0.131 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594499127 1017033154 /nfs/dbraw/zinc/03/31/54/1017033154.db2.gz KPMNVQCVDNIFTI-BBBLOLIVSA-N -1 0 304.368 -0.268 20 0 DBADRM C[C@@H]1OCC[C@@]12CN(CC(=O)NCCC(=O)[O-])C[C@@H](C)O2 ZINC001594506476 1017033383 /nfs/dbraw/zinc/03/33/83/1017033383.db2.gz IUMRSCVCKPMHBC-UHIISALHSA-N -1 0 300.355 -0.154 20 0 DBADRM CN(CCNC(=O)C(C)(C)F)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001429146157 1006249998 /nfs/dbraw/zinc/24/99/98/1006249998.db2.gz RFIAXKGXXIQTOU-UHFFFAOYSA-N -1 0 303.294 -0.988 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2cnn(C)c2C)c1[O-] ZINC001429218202 1006291714 /nfs/dbraw/zinc/29/17/14/1006291714.db2.gz IXAAREJPELSXSG-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@@H]2CCNC(=O)C2)c1[O-] ZINC001429219308 1006293232 /nfs/dbraw/zinc/29/32/32/1006293232.db2.gz QPKVXFHPCGPSHC-SECBINFHSA-N -1 0 323.353 -0.862 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001594512954 1017038861 /nfs/dbraw/zinc/03/88/61/1017038861.db2.gz CKGMSHYFBNUROV-RVMXOQNASA-N -1 0 323.393 -0.092 20 0 DBADRM C[C@@H]1CN(CCNS(=O)(=O)c2ccc(C(=O)[O-])o2)CCO1 ZINC001594532350 1017040795 /nfs/dbraw/zinc/04/07/95/1017040795.db2.gz WYCHDPNYJRJAOH-SECBINFHSA-N -1 0 318.351 -0.023 20 0 DBADRM C[C@@H]1CN(CCNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCO1 ZINC001594530962 1017041087 /nfs/dbraw/zinc/04/10/87/1017041087.db2.gz FJDNCVYUHOUIPL-SECBINFHSA-N -1 0 317.367 -0.288 20 0 DBADRM C[C@H]1CN(CCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)[C@@H](C)CO1 ZINC001594526844 1017041165 /nfs/dbraw/zinc/04/11/65/1017041165.db2.gz FEGFTQPBOOMQBS-YFKTTZPYSA-N -1 0 300.355 -0.156 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)C[C@H]1CCOC1 ZINC001594524693 1017041585 /nfs/dbraw/zinc/04/15/85/1017041585.db2.gz CFLGLKAGZFZQJB-NEPJUHHUSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@H]1CN(CCNS(=O)(=O)c2cc(C(=O)[O-])co2)CCO1 ZINC001594530699 1017042439 /nfs/dbraw/zinc/04/24/39/1017042439.db2.gz BRLLLWFMMOIDRZ-VIFPVBQESA-N -1 0 318.351 -0.023 20 0 DBADRM CN(CCN(C)C(=O)[C@@]1(C)CCC(=O)NC1)Cc1n[nH]c(=O)[n-]1 ZINC001496766526 1017042974 /nfs/dbraw/zinc/04/29/74/1017042974.db2.gz FSICVTITENSJOU-AWEZNQCLSA-N -1 0 324.385 -0.683 20 0 DBADRM C[C@H]1CN(CCNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCO1 ZINC001594530963 1017043152 /nfs/dbraw/zinc/04/31/52/1017043152.db2.gz FJDNCVYUHOUIPL-VIFPVBQESA-N -1 0 317.367 -0.288 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)Cc2cnn(C)n2)c1[O-] ZINC001440909340 1006354031 /nfs/dbraw/zinc/35/40/31/1006354031.db2.gz CQRIHVHUVFQRQT-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@@H]1CN(CCNS(=O)(=O)c2cc(C(=O)[O-])co2)CCO1 ZINC001594530698 1017044260 /nfs/dbraw/zinc/04/42/60/1017044260.db2.gz BRLLLWFMMOIDRZ-SECBINFHSA-N -1 0 318.351 -0.023 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C[C@H](CO)O1 ZINC001594551280 1017045903 /nfs/dbraw/zinc/04/59/03/1017045903.db2.gz YXZIUJLAKOFATD-VHSXEESVSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@H]1CNc2c(C(=O)N3CCC(O)(C(=O)[O-])CC3)cnn2C1 ZINC001594585137 1017045956 /nfs/dbraw/zinc/04/59/56/1017045956.db2.gz UVZJTWKNEGARTA-VIFPVBQESA-N -1 0 308.338 -0.004 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C[C@H](C)[C@H]1O ZINC001594555055 1017046817 /nfs/dbraw/zinc/04/68/17/1017046817.db2.gz TWZWODJJRAEQPM-MTBHXBHISA-N -1 0 303.340 -0.255 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCN1CCO ZINC001594555141 1017046855 /nfs/dbraw/zinc/04/68/55/1017046855.db2.gz KZCVSHUMYJZMJE-VIFPVBQESA-N -1 0 317.367 -0.600 20 0 DBADRM C[C@@H]1CNc2c(C(=O)N3CCC(O)(C(=O)[O-])CC3)cnn2C1 ZINC001594585136 1017047093 /nfs/dbraw/zinc/04/70/93/1017047093.db2.gz UVZJTWKNEGARTA-SECBINFHSA-N -1 0 308.338 -0.004 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440962179 1006393344 /nfs/dbraw/zinc/39/33/44/1006393344.db2.gz LDEWZRZBTMUQPP-RKDXNWHRSA-N -1 0 310.358 -0.932 20 0 DBADRM C[C@@H]1CN(c2nnnn2[C@H]2CC=C(C(=O)[O-])C2)CC(=O)N1C ZINC001594583394 1017047943 /nfs/dbraw/zinc/04/79/43/1017047943.db2.gz GTEJTGGIPLKGTL-SCZZXKLOSA-N -1 0 306.326 -0.314 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001594598466 1017049494 /nfs/dbraw/zinc/04/94/94/1017049494.db2.gz KCBSSLCCTWFWRM-VHSXEESVSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@@H]1COCCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001594607051 1017049890 /nfs/dbraw/zinc/04/98/90/1017049890.db2.gz KKZNLROLELASNK-JTQLQIEISA-N -1 0 301.343 -0.355 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001594638916 1017056688 /nfs/dbraw/zinc/05/66/88/1017056688.db2.gz FSBUNJKPNPDTPV-VFZGTOFNSA-N -1 0 322.317 -0.021 20 0 DBADRM CC(C)[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429469119 1006431382 /nfs/dbraw/zinc/43/13/82/1006431382.db2.gz UITPQQHFUVKPFB-DTWKUNHWSA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001594648659 1017055259 /nfs/dbraw/zinc/05/52/59/1017055259.db2.gz LTWLJZCDYOMRBN-AEJSXWLSSA-N -1 0 323.367 -0.311 20 0 DBADRM C[C@H]1OCC[C@H]1N(CCO)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001594643965 1017055480 /nfs/dbraw/zinc/05/54/80/1017055480.db2.gz KGQUGUGCCBOPCE-NXEZZACHSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@H]1OCC[C@]12CN(CCc1cn(CC(=O)[O-])nn1)CCO2 ZINC001594641971 1017055581 /nfs/dbraw/zinc/05/55/81/1017055581.db2.gz FMXGYSISZUPADY-RISCZKNCSA-N -1 0 310.354 -0.215 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001594648135 1017055786 /nfs/dbraw/zinc/05/57/86/1017055786.db2.gz FEFQXMGJQWXEFU-DJLDLDEBSA-N -1 0 309.340 -0.701 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001594648137 1017055874 /nfs/dbraw/zinc/05/58/74/1017055874.db2.gz FEFQXMGJQWXEFU-YIZRAAEISA-N -1 0 309.340 -0.701 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001594649636 1017055997 /nfs/dbraw/zinc/05/59/97/1017055997.db2.gz YMFKPGFMSLTZTG-INTQDDNPSA-N -1 0 307.368 -0.349 20 0 DBADRM C[C@H]1OCC[C@H]1N(CCO)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001594646543 1017056037 /nfs/dbraw/zinc/05/60/37/1017056037.db2.gz YKZIOKRUGNZTQM-DGCLKSJQSA-N -1 0 314.382 -0.219 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594597534 1017050485 /nfs/dbraw/zinc/05/04/85/1017050485.db2.gz DXTRBQBFQFUINT-UWVGGRQHSA-N -1 0 309.322 -0.200 20 0 DBADRM C[C@@H]1COC[C@@H]1NC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001594594114 1017050949 /nfs/dbraw/zinc/05/09/49/1017050949.db2.gz ZJGMLFHAHLMRSS-MXWKQRLJSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001594597922 1017051129 /nfs/dbraw/zinc/05/11/29/1017051129.db2.gz GXUKYBQFNQKCPH-RNFRBKRXSA-N -1 0 322.364 -0.388 20 0 DBADRM CCN(CCNC(=O)C1CC(C)C1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429550516 1006474969 /nfs/dbraw/zinc/47/49/69/1006474969.db2.gz HDXAZFIMLRXSKW-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@H]1OCC[C@]12CN(C(=O)C(=O)NCCCC(=O)[O-])CCO2 ZINC001594643399 1017056652 /nfs/dbraw/zinc/05/66/52/1017056652.db2.gz UQOMMXHOTCJZTD-YGRLFVJLSA-N -1 0 314.338 -0.626 20 0 DBADRM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001594629390 1017052232 /nfs/dbraw/zinc/05/22/32/1017052232.db2.gz HITGEGMVBCTHRH-XVMARJQXSA-N -1 0 316.339 -0.606 20 0 DBADRM C[C@@H]1NC(=O)[C@H](C)N(C(=O)NCCn2cc(C(=O)[O-])nn2)[C@H]1C ZINC001594626943 1017052524 /nfs/dbraw/zinc/05/25/24/1017052524.db2.gz QJIRTLZLARZSRZ-CIUDSAMLSA-N -1 0 324.341 -0.717 20 0 DBADRM C[C@@H]1CSCCN1C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001594613624 1017052681 /nfs/dbraw/zinc/05/26/81/1017052681.db2.gz PKDJWXSOIXAMMA-OPRDCNLKSA-N -1 0 316.379 -0.756 20 0 DBADRM C[C@@H]1NC(=O)CC[C@H]1c1nnc(N2CCO[C@H](C(=O)[O-])C2)n1C ZINC001594630839 1017052735 /nfs/dbraw/zinc/05/27/35/1017052735.db2.gz WULOFDPSDDLGIE-AEJSXWLSSA-N -1 0 323.353 -0.513 20 0 DBADRM C[C@H]1Cc2cccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c2O1 ZINC001594619626 1017052858 /nfs/dbraw/zinc/05/28/58/1017052858.db2.gz GDOHLBOTEVVRLG-CBAPKCEASA-N -1 0 301.320 -0.266 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)N(C)[C@@H](COC1CCC1)C(=O)[O-] ZINC001594632407 1017053032 /nfs/dbraw/zinc/05/30/32/1017053032.db2.gz LINHRNOQGOVGJV-UJNFCWOMSA-N -1 0 300.311 -0.036 20 0 DBADRM C[C@@H]1NC(=O)[C@H](C)N(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])[C@H]1C ZINC001594626170 1017053240 /nfs/dbraw/zinc/05/32/40/1017053240.db2.gz MCRISZBWRPPUQV-LADJIXMOSA-N -1 0 313.354 -0.217 20 0 DBADRM C[C@@H]1COCCN1CCNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001594608304 1017053441 /nfs/dbraw/zinc/05/34/41/1017053441.db2.gz XEGAEOLHQDGBJR-LLVKDONJSA-N -1 0 320.411 -0.119 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001594626945 1017053785 /nfs/dbraw/zinc/05/37/85/1017053785.db2.gz QJIRTLZLARZSRZ-XHNCKOQMSA-N -1 0 324.341 -0.717 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)O[C@H]1CCN(CCC(=O)OC)C1=O ZINC001594765013 1017063376 /nfs/dbraw/zinc/06/33/76/1017063376.db2.gz LOGKVENEBIQWRY-BDAKNGLRSA-N -1 0 301.295 -0.196 20 0 DBADRM CCC(=O)N(C)CCN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001594696639 1017057596 /nfs/dbraw/zinc/05/75/96/1017057596.db2.gz UJVOFSGNNHRIRL-NWDGAFQWSA-N -1 0 311.382 -0.280 20 0 DBADRM C[C@@H]1Oc2c(cccc2C(=O)NCC[C@H](O)C(=O)[O-])NC1=O ZINC001594651558 1017057910 /nfs/dbraw/zinc/05/79/10/1017057910.db2.gz SWFQAIHYYKIVPG-XVKPBYJWSA-N -1 0 308.290 -0.029 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@@H](C)C1CC1 ZINC001429649050 1006510507 /nfs/dbraw/zinc/51/05/07/1006510507.db2.gz IGOBHFVINKBLJJ-QMMMGPOBSA-N -1 0 323.353 -0.093 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC001594696780 1017058630 /nfs/dbraw/zinc/05/86/30/1017058630.db2.gz ZVFJCDHCNZWKSX-YPMHNXCESA-N -1 0 312.366 -0.071 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N[C@H](CC2OCCO2)C(=O)[O-])C1 ZINC001594695736 1017059041 /nfs/dbraw/zinc/05/90/41/1017059041.db2.gz NYAAAZNVTYZHRP-VHSXEESVSA-N -1 0 314.338 -0.423 20 0 DBADRM C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@H](CO)C(=O)[O-])C1=O ZINC001594655501 1017059112 /nfs/dbraw/zinc/05/91/12/1017059112.db2.gz SLSZNXIIZMHQGK-UWVGGRQHSA-N -1 0 322.317 -0.248 20 0 DBADRM CCC(=O)N1CCN(CCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001594705454 1017060539 /nfs/dbraw/zinc/06/05/39/1017060539.db2.gz FZIYQQYIIAJRPE-VXGBXAGGSA-N -1 0 311.382 -0.232 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001594706312 1017060871 /nfs/dbraw/zinc/06/08/71/1017060871.db2.gz OHSYZEDCUIHCCY-HRDYMLBCSA-N -1 0 300.311 -0.767 20 0 DBADRM CCC(=O)N1CCC[C@@](CO)(Nc2ccnc(C(=O)[O-])n2)C1 ZINC001594701872 1017060992 /nfs/dbraw/zinc/06/09/92/1017060992.db2.gz UUXJMFFTTSFJGB-CQSZACIVSA-N -1 0 308.338 -0.228 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001594706111 1017061242 /nfs/dbraw/zinc/06/12/42/1017061242.db2.gz LENGQASTOTYOEX-MRVPVSSYSA-N -1 0 309.326 -0.382 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001594705875 1017061511 /nfs/dbraw/zinc/06/15/11/1017061511.db2.gz GBLFFZARAVLQML-VIFPVBQESA-N -1 0 323.353 -0.358 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@@H]2CC(c3cccnc3)=NO2)CCOC1 ZINC001594724196 1017063295 /nfs/dbraw/zinc/06/32/95/1017063295.db2.gz MNUGWTWHFIDMCY-SMDDNHRTSA-N -1 0 305.290 -0.066 20 0 DBADRM CCC(=O)NCC(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001594708360 1017061634 /nfs/dbraw/zinc/06/16/34/1017061634.db2.gz UALOXRPGHMJKTA-UHFFFAOYSA-N -1 0 321.337 -0.650 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001594706316 1017061783 /nfs/dbraw/zinc/06/17/83/1017061783.db2.gz OHSYZEDCUIHCCY-IWSPIJDZSA-N -1 0 300.311 -0.767 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCN(C(COC)COC)CC1 ZINC001594745382 1017063426 /nfs/dbraw/zinc/06/34/26/1017063426.db2.gz QKOWECMCIMFSKA-LBPRGKRZSA-N -1 0 302.371 -0.097 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)CN(C)C(C)=O)C(=O)[O-] ZINC001594895311 1017069808 /nfs/dbraw/zinc/06/98/08/1017069808.db2.gz CHABSJMVFNSRIM-QPUJVOFHSA-N -1 0 302.327 -0.377 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)CCCCS(N)(=O)=O)C(=O)[O-] ZINC001594853223 1017068065 /nfs/dbraw/zinc/06/80/65/1017068065.db2.gz MKUKAVVCEFCXDT-SECBINFHSA-N -1 0 316.401 -0.772 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001429819268 1006574637 /nfs/dbraw/zinc/57/46/37/1006574637.db2.gz HUROAZQVAOGUIR-JTQLQIEISA-N -1 0 323.353 -0.767 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1C[C@H](O)C[C@@H]1COC)C(=O)[O-] ZINC001594894451 1017068734 /nfs/dbraw/zinc/06/87/34/1017068734.db2.gz SASYWVSFMVORID-PRULPYPASA-N -1 0 302.371 -0.317 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@H]1NC(=O)O[C@H]1C)C(=O)[O-] ZINC001594895577 1017068823 /nfs/dbraw/zinc/06/88/23/1017068823.db2.gz DXTWJCJUIJSLPB-YIKMNZTOSA-N -1 0 316.310 -0.358 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)C1(C(N)=O)CCC1)C(=O)[O-] ZINC001594898128 1017069280 /nfs/dbraw/zinc/06/92/80/1017069280.db2.gz UKZXIAMSVWDWPJ-WPRPVWTQSA-N -1 0 314.338 -0.199 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001594741901 1017063761 /nfs/dbraw/zinc/06/37/61/1017063761.db2.gz XYLVBGXQXKEZMA-ZJUUUORDSA-N -1 0 307.368 -0.241 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001594745006 1017063856 /nfs/dbraw/zinc/06/38/56/1017063856.db2.gz HSCYLEHCCMZSKE-JOYOIKCWSA-N -1 0 305.352 -0.487 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC001594742924 1017064336 /nfs/dbraw/zinc/06/43/36/1017064336.db2.gz JAUDRMLEGUTNKZ-ZJUUUORDSA-N -1 0 306.384 -0.115 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N(C)Cc1nnc2c(=O)n(C)ccn12 ZINC001594741872 1017064352 /nfs/dbraw/zinc/06/43/52/1017064352.db2.gz XDNONZDTDSFIER-MRVPVSSYSA-N -1 0 307.310 -0.503 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001594745005 1017064419 /nfs/dbraw/zinc/06/44/19/1017064419.db2.gz HSCYLEHCCMZSKE-CABZTGNLSA-N -1 0 305.352 -0.487 20 0 DBADRM CC[C@@H](C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)N(C)C ZINC001594734218 1017064523 /nfs/dbraw/zinc/06/45/23/1017064523.db2.gz QAOKIQZBYRGQGD-HOTUBEGUSA-N -1 0 306.384 -0.669 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)c1ccccc1 ZINC001594786998 1017065337 /nfs/dbraw/zinc/06/53/37/1017065337.db2.gz XKDOLHMIZKIYJP-OLZOCXBDSA-N -1 0 319.317 -0.208 20 0 DBADRM CC[C@@H](C(=O)OC)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001594776286 1017065760 /nfs/dbraw/zinc/06/57/60/1017065760.db2.gz VXTRKMPDRABJCB-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)Cn1cnc2c(c1=O)COCC2)C(=O)[O-] ZINC001594909678 1017069878 /nfs/dbraw/zinc/06/98/78/1017069878.db2.gz VZBSXBAYPYQZJK-TVQRCGJNSA-N -1 0 323.349 -0.069 20 0 DBADRM CC[C@](C)(CCO)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001594830791 1017066956 /nfs/dbraw/zinc/06/69/56/1017066956.db2.gz SORZWQPZYJDRNG-IINYFYTJSA-N -1 0 300.355 -0.023 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NCc2ncnn2C)c1[O-] ZINC001441511032 1006695979 /nfs/dbraw/zinc/69/59/79/1006695979.db2.gz JFMLDXDHLZQODV-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM NC(=O)CCCC(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001441588017 1006741526 /nfs/dbraw/zinc/74/15/26/1006741526.db2.gz UFNBQGLXUPAPBQ-SNVBAGLBSA-N -1 0 324.385 -0.506 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccc(F)cc1 ZINC001441654487 1006773626 /nfs/dbraw/zinc/77/36/26/1006773626.db2.gz AVBFOTLBYCTTGM-JTQLQIEISA-N -1 0 309.301 -0.470 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C1(CCF)CC1 ZINC001441717593 1006832705 /nfs/dbraw/zinc/83/27/05/1006832705.db2.gz JJHZNFXKQWZRTE-QMMMGPOBSA-N -1 0 301.322 -0.783 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001430406386 1006844528 /nfs/dbraw/zinc/84/45/28/1006844528.db2.gz PGPFIKIPTKPIAF-SCZZXKLOSA-N -1 0 323.353 -0.690 20 0 DBADRM C[C@@H](CNC(=O)C(C)(C)F)NC(=O)c1cnc([O-])n(C)c1=O ZINC001430427407 1006850612 /nfs/dbraw/zinc/85/06/12/1006850612.db2.gz STABWNHDMKBTLL-ZETCQYMHSA-N -1 0 314.317 -0.532 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1occc1Cl ZINC001441774611 1006868481 /nfs/dbraw/zinc/86/84/81/1006868481.db2.gz ZPRVYBPCHNOTMN-LURJTMIESA-N -1 0 315.717 -0.363 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)Cc2cnn(C)c2)c1[O-] ZINC001430483573 1006872456 /nfs/dbraw/zinc/87/24/56/1006872456.db2.gz XSOFSEMQMXSYOI-QMMMGPOBSA-N -1 0 320.353 -0.366 20 0 DBADRM CC[C@H](CNC(=O)C1=COCCO1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001430514210 1006878666 /nfs/dbraw/zinc/87/86/66/1006878666.db2.gz AQEHKBCUOCCHNU-SECBINFHSA-N -1 0 324.337 -0.063 20 0 DBADRM CN(C(=O)c1cnccn1)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598097711 1017233288 /nfs/dbraw/zinc/23/32/88/1017233288.db2.gz IVPOMYRTVIGVLQ-ZJUUUORDSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)c1cncnc1)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598098551 1017233325 /nfs/dbraw/zinc/23/33/25/1017233325.db2.gz PLSFGLUCHRFFJW-WDEREUQCSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(C)(C)C(N)=O)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001598106677 1017233967 /nfs/dbraw/zinc/23/39/67/1017233967.db2.gz QTFONUYEJOBDOT-UHFFFAOYSA-N -1 0 301.324 -0.336 20 0 DBADRM CN(C)C(=O)[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001598117876 1017233990 /nfs/dbraw/zinc/23/39/90/1017233990.db2.gz KNYGHHFHHHDZNY-JTQLQIEISA-N -1 0 308.338 -0.092 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cc(C(=O)[O-])no2)O1 ZINC001598117116 1017234177 /nfs/dbraw/zinc/23/41/77/1017234177.db2.gz HZRXHLZRWFSHEQ-IONNQARKSA-N -1 0 311.294 -0.262 20 0 DBADRM CN(C)C(=O)[C@@H]1CCN(c2nnnn2[C@@H]2CC=C(C(=O)[O-])C2)C1 ZINC001598119973 1017234404 /nfs/dbraw/zinc/23/44/04/1017234404.db2.gz SDXSEQRLJHWUFJ-GHMZBOCLSA-N -1 0 320.353 -0.067 20 0 DBADRM CN(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])c1cncn1C ZINC001598163081 1017242214 /nfs/dbraw/zinc/24/22/14/1017242214.db2.gz NOIXFXJJWKUIMW-CMPLNLGQSA-N -1 0 320.353 -0.442 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NC[C@H]2C[C@H]2C(=O)[O-])O1 ZINC001598116340 1017234541 /nfs/dbraw/zinc/23/45/41/1017234541.db2.gz CCUNJRQAQLFLSG-LMLFDSFASA-N -1 0 313.354 -0.358 20 0 DBADRM CN(C)C(=O)CCNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598126652 1017235374 /nfs/dbraw/zinc/23/53/74/1017235374.db2.gz PPNLFNNMIOWZFP-CYBMUJFWSA-N -1 0 312.326 -0.520 20 0 DBADRM CN(C)C(=O)CN1CCN(Cc2cc(C(=O)[O-])n(C)c2)CC1 ZINC001598129851 1017235712 /nfs/dbraw/zinc/23/57/12/1017235712.db2.gz AZVGFTMBYWPMMQ-UHFFFAOYSA-N -1 0 308.382 -0.071 20 0 DBADRM CN(C)C(=O)CNC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001598129979 1017236329 /nfs/dbraw/zinc/23/63/29/1017236329.db2.gz LNZQWYQJRYJNES-MRVPVSSYSA-N -1 0 309.326 -0.196 20 0 DBADRM CN(C)C(=O)CCOC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598127049 1017236444 /nfs/dbraw/zinc/23/64/44/1017236444.db2.gz YKJKEWXXKNUSHY-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001598129965 1017236907 /nfs/dbraw/zinc/23/69/07/1017236907.db2.gz KFNGNJRVHYWRII-UHFFFAOYSA-N -1 0 321.333 -0.752 20 0 DBADRM CN(C)C(=O)N[C@H]1CCCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1 ZINC001598139103 1017238681 /nfs/dbraw/zinc/23/86/81/1017238681.db2.gz GNNSYCJOIABKER-UWVGGRQHSA-N -1 0 314.342 -0.415 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)NCCOCC(=O)[O-])n1 ZINC001598135253 1017239215 /nfs/dbraw/zinc/23/92/15/1017239215.db2.gz NNNSYMRLDFBGNY-UHFFFAOYSA-N -1 0 313.314 -0.806 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)Nc2ncc(C(=O)[O-])s2)nn1 ZINC001598134691 1017239722 /nfs/dbraw/zinc/23/97/22/1017239722.db2.gz ZTYXWTOMCHKXJE-UHFFFAOYSA-N -1 0 324.322 -0.227 20 0 DBADRM CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001598138988 1017239985 /nfs/dbraw/zinc/23/99/85/1017239985.db2.gz PVGZVZPZKIMJIY-WDEREUQCSA-N -1 0 313.354 -0.262 20 0 DBADRM CN(C)C(=O)Cn1nnnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001598135575 1017240016 /nfs/dbraw/zinc/24/00/16/1017240016.db2.gz VHOONYGQCCDZKG-JTQLQIEISA-N -1 0 310.358 -0.158 20 0 DBADRM CN(C)C1(CS(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001598184540 1017241154 /nfs/dbraw/zinc/24/11/54/1017241154.db2.gz WKOAISJTQBXNLI-VHSXEESVSA-N -1 0 306.384 -0.822 20 0 DBADRM CN(C)C1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CC1 ZINC001598178962 1017241207 /nfs/dbraw/zinc/24/12/07/1017241207.db2.gz UXIOYKDZFUHDQA-GZMMTYOYSA-N -1 0 304.368 -0.915 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001597998672 1017226263 /nfs/dbraw/zinc/22/62/63/1017226263.db2.gz RWHGOKNTIGGZEB-ZJUUUORDSA-N -1 0 319.317 -0.209 20 0 DBADRM CN(C(=O)C1=CCOCC1)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597997259 1017226486 /nfs/dbraw/zinc/22/64/86/1017226486.db2.gz SJYZYGOXJVKARK-RYUDHWBXSA-N -1 0 308.334 -0.277 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(CC(=O)NC2CCCC2)C1 ZINC001597998107 1017226555 /nfs/dbraw/zinc/22/65/55/1017226555.db2.gz GWTBSSAYJBIOIL-CHWSQXEVSA-N -1 0 323.393 -0.092 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001597998671 1017226587 /nfs/dbraw/zinc/22/65/87/1017226587.db2.gz RWHGOKNTIGGZEB-VHSXEESVSA-N -1 0 319.317 -0.209 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)CCn2ccnn2)C1 ZINC001597998499 1017226972 /nfs/dbraw/zinc/22/69/72/1017226972.db2.gz OAHDFYASXJSVIB-GHMZBOCLSA-N -1 0 321.337 -0.942 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)Cc2ccc[nH]2)C1 ZINC001597998318 1017226997 /nfs/dbraw/zinc/22/69/97/1017226997.db2.gz KTFWVJIQDWRPEL-RYUDHWBXSA-N -1 0 305.334 -0.053 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)Cn2ccnc2)C1 ZINC001597997739 1017227238 /nfs/dbraw/zinc/22/72/38/1017227238.db2.gz ALPVTNHHVSBZDN-GHMZBOCLSA-N -1 0 306.322 -0.727 20 0 DBADRM C[C@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)CC1CC1 ZINC001430647151 1006954977 /nfs/dbraw/zinc/95/49/77/1006954977.db2.gz OZPKDMNXGQEMAH-MRVPVSSYSA-N -1 0 323.353 -0.364 20 0 DBADRM CN(CC(=O)N(C)[C@@H](COC1CCC1)C(=O)[O-])S(C)(=O)=O ZINC001598019298 1017228086 /nfs/dbraw/zinc/22/80/86/1017228086.db2.gz UCICJVPAFAPNTO-JTQLQIEISA-N -1 0 322.383 -0.642 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)CCc2cn[nH]c2)C1 ZINC001597998937 1017228176 /nfs/dbraw/zinc/22/81/76/1017228176.db2.gz YAWFNGLJNDIAOE-RYUDHWBXSA-N -1 0 320.349 -0.268 20 0 DBADRM CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@H](COC1CCC1)C(=O)[O-] ZINC001598034881 1017228270 /nfs/dbraw/zinc/22/82/70/1017228270.db2.gz XNKCPTDBMMGWDE-DTWKUNHWSA-N -1 0 313.310 -0.935 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cncnc2)C1 ZINC001597998992 1017228469 /nfs/dbraw/zinc/22/84/69/1017228469.db2.gz ZBTISVAFINVAHE-GHMZBOCLSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C)[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])c1cncn1C ZINC001598163082 1017242605 /nfs/dbraw/zinc/24/26/05/1017242605.db2.gz NOIXFXJJWKUIMW-JQWIXIFHSA-N -1 0 320.353 -0.442 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001597998782 1017229848 /nfs/dbraw/zinc/22/98/48/1017229848.db2.gz UTEXHWKBWQTECU-VXGBXAGGSA-N -1 0 319.317 -0.677 20 0 DBADRM CN(C(=O)c1c[nH]c(C(=O)[O-])c1)N1CCS(=O)(=O)CC1 ZINC001598073883 1017232282 /nfs/dbraw/zinc/23/22/82/1017232282.db2.gz YXZHMAWGWXBTKA-UHFFFAOYSA-N -1 0 301.324 -0.570 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001430696001 1006996830 /nfs/dbraw/zinc/99/68/30/1006996830.db2.gz MKIDDIJVSVROLE-HRDYMLBCSA-N -1 0 308.338 -0.624 20 0 DBADRM CN(CCNC(=O)c1ccoc1)C(=O)c1cnc([O-])n(C)c1=O ZINC001431144077 1007211590 /nfs/dbraw/zinc/21/15/90/1007211590.db2.gz QEGFAYQNOSFWFM-UHFFFAOYSA-N -1 0 320.305 -0.419 20 0 DBADRM Cc1nccn1CC(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001431253155 1007309935 /nfs/dbraw/zinc/30/99/35/1007309935.db2.gz HJUFCXGBXBZKNG-UHFFFAOYSA-N -1 0 320.353 -0.183 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1=CCCC1 ZINC001431396863 1007392645 /nfs/dbraw/zinc/39/26/45/1007392645.db2.gz KAXNVMLHENVPMW-UHFFFAOYSA-N -1 0 307.310 -0.419 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001431397806 1007393416 /nfs/dbraw/zinc/39/34/16/1007393416.db2.gz PQTXTKWVGIWCCE-BRPSZJMVSA-N -1 0 321.337 -0.483 20 0 DBADRM Cc1cc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)nn1C ZINC001442463455 1007465008 /nfs/dbraw/zinc/46/50/08/1007465008.db2.gz MUZJYMKYBCIGHA-UHFFFAOYSA-N -1 0 321.341 -0.813 20 0 DBADRM Cc1cccnc1CN(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001442465307 1007467642 /nfs/dbraw/zinc/46/76/42/1007467642.db2.gz RNKZBXQRGLKTLB-UHFFFAOYSA-N -1 0 318.337 -0.152 20 0 DBADRM COc1c[nH]c(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)cc1=O ZINC001442466913 1007468628 /nfs/dbraw/zinc/46/86/28/1007468628.db2.gz SIRDQAZJQZCFLP-UHFFFAOYSA-N -1 0 322.325 -0.931 20 0 DBADRM C[C@@H](c1ncccn1)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001442467633 1007469647 /nfs/dbraw/zinc/46/96/47/1007469647.db2.gz WVDWRKBUMPHNTG-QMMMGPOBSA-N -1 0 319.325 -0.504 20 0 DBADRM Cc1ncccc1CN(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001442467567 1007474116 /nfs/dbraw/zinc/47/41/16/1007474116.db2.gz VWYCRFROHQWTPX-UHFFFAOYSA-N -1 0 318.337 -0.152 20 0 DBADRM C[C@@H](CNC(=O)c1ccc[nH]1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001442629495 1007585736 /nfs/dbraw/zinc/58/57/36/1007585736.db2.gz BAKJXGQMWMHUNX-QMMMGPOBSA-N -1 0 322.325 -0.706 20 0 DBADRM CC[C@H](C)C(=O)NC[C@@H](C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001442674378 1007607209 /nfs/dbraw/zinc/60/72/09/1007607209.db2.gz XNTPDJUNOJOESO-DTWKUNHWSA-N -1 0 313.358 -0.302 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@H](C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001442674376 1007608333 /nfs/dbraw/zinc/60/83/33/1007608333.db2.gz XNTPDJUNOJOESO-BDAKNGLRSA-N -1 0 313.358 -0.302 20 0 DBADRM CCN(CCNC(=O)C[C@@H]1CCN(C)C1=O)Cc1n[nH]c(=O)[n-]1 ZINC001442678364 1007611609 /nfs/dbraw/zinc/61/16/09/1007611609.db2.gz OVXBEPPOLOQDSE-JTQLQIEISA-N -1 0 324.385 -0.683 20 0 DBADRM CCN(CCNC(=O)Cc1cc[nH]n1)C(=O)c1n[nH]c(C)c1[O-] ZINC001431598816 1007628618 /nfs/dbraw/zinc/62/86/18/1007628618.db2.gz QXUQFMZFLJYCDB-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM C[NH+](C)CCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001598224289 1017247928 /nfs/dbraw/zinc/24/79/28/1017247928.db2.gz CUPIJRLJLCUQDL-UHFFFAOYSA-N -1 0 319.339 -0.650 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001598259857 1017248848 /nfs/dbraw/zinc/24/88/48/1017248848.db2.gz QMWXNHZJVJQYMO-NSHDSACASA-N -1 0 316.335 -0.475 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001598259521 1017249085 /nfs/dbraw/zinc/24/90/85/1017249085.db2.gz KBILMVNEEBQXHW-DTWKUNHWSA-N -1 0 308.356 -0.984 20 0 DBADRM CN(C)N(C(=S)NCCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001598257470 1017250283 /nfs/dbraw/zinc/25/02/83/1017250283.db2.gz MFCZUZHWEGIAFT-SECBINFHSA-N -1 0 323.440 -0.309 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H]2C(=O)[O-])cn1 ZINC001598270090 1017252127 /nfs/dbraw/zinc/25/21/27/1017252127.db2.gz IAAJGHFZIVNNPK-VIFPVBQESA-N -1 0 313.335 -0.369 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001598262451 1017252411 /nfs/dbraw/zinc/25/24/11/1017252411.db2.gz UNCIBCWWWXGZQO-DBIOUOCHSA-N -1 0 318.395 -0.117 20 0 DBADRM CN(C)S(=O)(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001598265044 1017252746 /nfs/dbraw/zinc/25/27/46/1017252746.db2.gz HIIAVXPIJSIFDF-GFCCVEGCSA-N -1 0 306.384 -0.125 20 0 DBADRM CN(C)c1ccc(NC(=O)C(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1 ZINC001598323275 1017255445 /nfs/dbraw/zinc/25/54/45/1017255445.db2.gz WFMWQFLDXFKXIZ-OAHLLOKOSA-N -1 0 321.333 -0.261 20 0 DBADRM C[C@@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001431889880 1007749610 /nfs/dbraw/zinc/74/96/10/1007749610.db2.gz ZOMUXYIPIAELNX-CIUDSAMLSA-N -1 0 323.353 -0.508 20 0 DBADRM Cn1nccc1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001442998795 1007753554 /nfs/dbraw/zinc/75/35/54/1007753554.db2.gz YPPSXNSDHUYIRF-UHFFFAOYSA-N -1 0 305.342 -0.362 20 0 DBADRM CNC(=O)[C@@H](C)N(CCNC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001443001554 1007756488 /nfs/dbraw/zinc/75/64/88/1007756488.db2.gz XRLLWBALZHDQNI-SECBINFHSA-N -1 0 309.370 -0.248 20 0 DBADRM CCCN(C(C)=O)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001431943894 1007766053 /nfs/dbraw/zinc/76/60/53/1007766053.db2.gz MULBLNHRPKIRAD-SECBINFHSA-N -1 0 309.326 -0.244 20 0 DBADRM CC(=O)N[C@H](CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001443062809 1007776905 /nfs/dbraw/zinc/77/69/05/1007776905.db2.gz GFXLJZLAKJCJGN-SNVBAGLBSA-N -1 0 313.358 -0.302 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)CC(C)(C)O)CC2)c1[O-] ZINC001432179718 1007839082 /nfs/dbraw/zinc/83/90/82/1007839082.db2.gz URQORMBTHVEOPN-UHFFFAOYSA-N -1 0 310.354 -0.037 20 0 DBADRM O=C(C1=CS(=O)(=O)CCC1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001443444734 1007848687 /nfs/dbraw/zinc/84/86/87/1007848687.db2.gz OYLYUPHBHPHHPY-SECBINFHSA-N -1 0 313.339 -0.808 20 0 DBADRM COc1cc(=O)[nH]cc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001443444972 1007849100 /nfs/dbraw/zinc/84/91/00/1007849100.db2.gz RPUOYZDPSRUZBL-SECBINFHSA-N -1 0 306.282 -0.477 20 0 DBADRM Cn1cnc2cncc(C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)c21 ZINC001443450106 1007850406 /nfs/dbraw/zinc/85/04/06/1007850406.db2.gz MNQHRGQCEJVLNK-SNVBAGLBSA-N -1 0 314.309 -0.305 20 0 DBADRM CCCC[C@@H](C(N)=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001443476873 1007858903 /nfs/dbraw/zinc/85/89/03/1007858903.db2.gz AZYCWPCFHOLJCX-JTQLQIEISA-N -1 0 309.370 -0.118 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)CN(C)C(C)=O)C(=O)[O-] ZINC001594895313 1017070074 /nfs/dbraw/zinc/07/00/74/1017070074.db2.gz CHABSJMVFNSRIM-UFBFGSQYSA-N -1 0 302.327 -0.377 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)[C@H]1CCCC(=O)N1)C(=O)[O-] ZINC001594905578 1017070231 /nfs/dbraw/zinc/07/02/31/1017070231.db2.gz SLMXMGQBCSFMNJ-KBVBSXBZSA-N -1 0 314.338 -0.186 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)CN(C)C(C)=O)C(=O)[O-] ZINC001594895310 1017070757 /nfs/dbraw/zinc/07/07/57/1017070757.db2.gz CHABSJMVFNSRIM-PRHODGIISA-N -1 0 302.327 -0.377 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cccc(-n3cncn3)n2)CCO1 ZINC001594950938 1017071555 /nfs/dbraw/zinc/07/15/55/1017071555.db2.gz CIFAWIFZSNFKFP-SNVBAGLBSA-N -1 0 303.278 -0.412 20 0 DBADRM COCC1(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)CC1 ZINC001443667143 1007898312 /nfs/dbraw/zinc/89/83/12/1007898312.db2.gz ZMWUEBMUIXBGIA-UWVGGRQHSA-N -1 0 307.354 -0.278 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)Cn1ncn2nccc2c1=O ZINC001594975016 1017072246 /nfs/dbraw/zinc/07/22/46/1017072246.db2.gz VJJFQNGMTHVHEJ-VIFPVBQESA-N -1 0 307.310 -0.397 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001594925732 1017072384 /nfs/dbraw/zinc/07/23/84/1017072384.db2.gz ITWJUGZHTVOVBF-XQQFMLRXSA-N -1 0 312.366 -0.201 20 0 DBADRM CC[C@](COC)(NC(=O)Cn1ccc(C(=O)OC)n1)C(=O)[O-] ZINC001595189747 1017079663 /nfs/dbraw/zinc/07/96/63/1017079663.db2.gz WAHUSYZOHWZSMG-CYBMUJFWSA-N -1 0 313.310 -0.334 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C1CCC(O)CC1 ZINC001594959821 1017073044 /nfs/dbraw/zinc/07/30/44/1017073044.db2.gz GYVKAGWKGCMLOZ-UDNWOFFPSA-N -1 0 305.352 -0.752 20 0 DBADRM CCC(CC)N1C[C@H](C(=O)NC[C@@H](O)CC(=O)[O-])CC1=O ZINC001595117255 1017073656 /nfs/dbraw/zinc/07/36/56/1017073656.db2.gz VWUNHKYZBUVZCS-KOLCDFICSA-N -1 0 300.355 -0.025 20 0 DBADRM CCC(CC)N1C[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1=O ZINC001595117241 1017073883 /nfs/dbraw/zinc/07/38/83/1017073883.db2.gz VJORQAODACTPAU-LNLATYFQSA-N -1 0 300.355 -0.026 20 0 DBADRM CCC(CC)N1C[C@H](C(=O)OCC(=O)NCC(=O)[O-])CC1=O ZINC001595116245 1017074226 /nfs/dbraw/zinc/07/42/26/1017074226.db2.gz JUSMRTWOMQVDKU-SECBINFHSA-N -1 0 314.338 -0.233 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)Cn1nnc2c(cnn2C)c1=O ZINC001595047866 1017074290 /nfs/dbraw/zinc/07/42/90/1017074290.db2.gz MXLSFWFRRHOVDE-UHFFFAOYSA-N -1 0 307.310 -0.015 20 0 DBADRM CCC(CC)[C@H](C(=O)N1CC(O)(C(=O)[O-])C1)N1CCOCC1 ZINC001595105986 1017074628 /nfs/dbraw/zinc/07/46/28/1017074628.db2.gz WFZVNJWCTYENIV-GFCCVEGCSA-N -1 0 314.382 -0.219 20 0 DBADRM CC[C@H](C[C@H](C)O)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001595035248 1017074661 /nfs/dbraw/zinc/07/46/61/1017074661.db2.gz AYAKCJRFXZIKHS-HBNTYKKESA-N -1 0 300.355 -0.025 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001595003202 1017075257 /nfs/dbraw/zinc/07/52/57/1017075257.db2.gz AFHRKTIKSCOFSQ-VWYCJHECSA-N -1 0 315.370 -0.232 20 0 DBADRM CC[C@@H](CN1CCOCC1)NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001595131586 1017075802 /nfs/dbraw/zinc/07/58/02/1017075802.db2.gz XLQKNIIOHZIALV-RYUDHWBXSA-N -1 0 315.370 -0.408 20 0 DBADRM CC[C@@H](CNC(=O)COCC(=O)NCc1cccnc1)C(=O)[O-] ZINC001595144952 1017075841 /nfs/dbraw/zinc/07/58/41/1017075841.db2.gz YNCRVUUGIMUUAT-LBPRGKRZSA-N -1 0 323.349 -0.059 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2)C(=O)[O-] ZINC001595130964 1017075857 /nfs/dbraw/zinc/07/58/57/1017075857.db2.gz FRMCCVJDOBYVFO-QMMMGPOBSA-N -1 0 319.321 -0.493 20 0 DBADRM CN(C(=O)CCc1nnc[nH]1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001443791676 1007930160 /nfs/dbraw/zinc/93/01/60/1007930160.db2.gz GKQQRJFWZFXBHV-SECBINFHSA-N -1 0 320.357 -0.706 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001595139546 1017076082 /nfs/dbraw/zinc/07/60/82/1017076082.db2.gz RIMBLGNYDVHJAP-DTWKUNHWSA-N -1 0 322.325 -0.837 20 0 DBADRM CC[C@H](CN1CCOCC1)NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001595131592 1017076155 /nfs/dbraw/zinc/07/61/55/1017076155.db2.gz YABQLHVXJJSTMG-GFCCVEGCSA-N -1 0 310.354 -0.192 20 0 DBADRM CC[C@@H](CN1CCOCC1)NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001595131585 1017076239 /nfs/dbraw/zinc/07/62/39/1017076239.db2.gz XLQKNIIOHZIALV-NWDGAFQWSA-N -1 0 315.370 -0.408 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001595139547 1017076397 /nfs/dbraw/zinc/07/63/97/1017076397.db2.gz RIMBLGNYDVHJAP-IUCAKERBSA-N -1 0 322.325 -0.837 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H]1CCNC1=O)Nc1ccnc(C(=O)[O-])n1 ZINC001595139884 1017076443 /nfs/dbraw/zinc/07/64/43/1017076443.db2.gz ZUQZRWOIRZOXSJ-DTWKUNHWSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001443818266 1007939318 /nfs/dbraw/zinc/93/93/18/1007939318.db2.gz LUFAYZWDTFCQMY-DTWKUNHWSA-N -1 0 310.358 -0.946 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-] ZINC001595188162 1017077373 /nfs/dbraw/zinc/07/73/73/1017077373.db2.gz PTFGUGNIEKNLFZ-OTYXRUKQSA-N -1 0 324.337 -0.241 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)c1cccc(C(=O)[O-])n1 ZINC001595172384 1017077587 /nfs/dbraw/zinc/07/75/87/1017077587.db2.gz BNYPPCHVBJJSKB-MRVPVSSYSA-N -1 0 315.351 -0.163 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001595187472 1017077935 /nfs/dbraw/zinc/07/79/35/1017077935.db2.gz MUBNVFAJJOPCAL-OQPBUACISA-N -1 0 312.326 -0.458 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001595171209 1017078051 /nfs/dbraw/zinc/07/80/51/1017078051.db2.gz DIIUBOAQRZYLAB-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001595171208 1017078749 /nfs/dbraw/zinc/07/87/49/1017078749.db2.gz DIIUBOAQRZYLAB-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM CC[C@H](COC(=O)CN1CCN(CC)C(=O)C1=O)C(=O)[O-] ZINC001595181116 1017079130 /nfs/dbraw/zinc/07/91/30/1017079130.db2.gz QWRZRDSBMZCNSU-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM C[C@@]1(NC(=O)C(F)F)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001432504485 1007958259 /nfs/dbraw/zinc/95/82/59/1007958259.db2.gz MDNDBMSAFDMPAJ-LLVKDONJSA-N -1 0 317.252 -0.731 20 0 DBADRM CC[C@@H](F)C(=O)N(C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001443944014 1007971626 /nfs/dbraw/zinc/97/16/26/1007971626.db2.gz DHLUQRMNBZBTTD-RNFRBKRXSA-N -1 0 315.305 -0.392 20 0 DBADRM CC[C@H](CNC(=O)c1ncn(C)n1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001432666963 1007990005 /nfs/dbraw/zinc/99/00/05/1007990005.db2.gz PULBIWCTAKCVPG-MRVPVSSYSA-N -1 0 321.341 -0.509 20 0 DBADRM CC(=O)NCC1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001432679894 1007993167 /nfs/dbraw/zinc/99/31/67/1007993167.db2.gz CZXRUQMNBIUPOP-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM CS[C@H](C)C(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001444103368 1008026215 /nfs/dbraw/zinc/02/62/15/1008026215.db2.gz BSJGEVHMFRJRHR-SFYZADRCSA-N -1 0 316.383 -0.618 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@]2(O)CCN(C(=O)C(C)C)C2)c1[O-] ZINC001432807875 1008026758 /nfs/dbraw/zinc/02/67/58/1008026758.db2.gz VMRWGVOHZVNVAP-CQSZACIVSA-N -1 0 310.354 -0.227 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)[C@@H]1C[C@H]1C ZINC001432990127 1008056530 /nfs/dbraw/zinc/05/65/30/1008056530.db2.gz RHFCPTHMCCZNAL-BWZBUEFSSA-N -1 0 309.326 -0.579 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001433188769 1008087770 /nfs/dbraw/zinc/08/77/70/1008087770.db2.gz TUEGIIQBVUMVJK-RKDXNWHRSA-N -1 0 311.342 -0.738 20 0 DBADRM CC(C)C(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433218470 1008096291 /nfs/dbraw/zinc/09/62/91/1008096291.db2.gz PELTYYGYMUDTOL-DTWKUNHWSA-N -1 0 323.353 -0.047 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001444250803 1008100473 /nfs/dbraw/zinc/10/04/73/1008100473.db2.gz VPYBDFNZNDBPOE-MRVPVSSYSA-N -1 0 322.321 -0.209 20 0 DBADRM CC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001433229172 1008101142 /nfs/dbraw/zinc/10/11/42/1008101142.db2.gz VRDWOQXBDBDFGH-UWVGGRQHSA-N -1 0 323.353 -0.364 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)C2(C3CC3)CC2)c1[O-] ZINC001433266457 1008127544 /nfs/dbraw/zinc/12/75/44/1008127544.db2.gz FAKXUUOJALNYDJ-SNVBAGLBSA-N -1 0 322.365 -0.179 20 0 DBADRM CCc1nncn1CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001444454484 1008164479 /nfs/dbraw/zinc/16/44/79/1008164479.db2.gz PQUYDVKWPCKLPK-UHFFFAOYSA-N -1 0 301.310 -0.394 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001444474609 1008170110 /nfs/dbraw/zinc/17/01/10/1008170110.db2.gz PDEWKYRMNIRVLD-IUCAKERBSA-N -1 0 301.322 -0.425 20 0 DBADRM Cc1cnc(CNC[C@H](C)N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001444629434 1008199637 /nfs/dbraw/zinc/19/96/37/1008199637.db2.gz JSGLIRKZTRNPQZ-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Cc1nccs1 ZINC001445007771 1008271769 /nfs/dbraw/zinc/27/17/69/1008271769.db2.gz CPAYQKRFQKYMBL-UHFFFAOYSA-N -1 0 324.366 -0.057 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1CCCC(=O)N1C)Cc1n[nH]c(=O)[n-]1 ZINC001445071311 1008281252 /nfs/dbraw/zinc/28/12/52/1008281252.db2.gz SKFNRJVPBSMMMG-SNVBAGLBSA-N -1 0 324.385 -0.589 20 0 DBADRM Cc1nccc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001445092510 1008283495 /nfs/dbraw/zinc/28/34/95/1008283495.db2.gz RAFYFPGMTMTPAV-UHFFFAOYSA-N -1 0 305.342 -0.187 20 0 DBADRM Cc1cnn(CC(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)c1 ZINC001445700022 1008422209 /nfs/dbraw/zinc/42/22/09/1008422209.db2.gz XTHBOLMNPBOPSA-SNVBAGLBSA-N -1 0 307.358 -0.348 20 0 DBADRM Cc1oncc1CN(C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001445772788 1008433436 /nfs/dbraw/zinc/43/34/36/1008433436.db2.gz SVZABUWJYSIBBS-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001446148986 1008482369 /nfs/dbraw/zinc/48/23/69/1008482369.db2.gz ZGIPECNNBDLNFC-APPZFPTMSA-N -1 0 309.326 -0.659 20 0 DBADRM COC(=O)C1(O)CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001446247084 1008494630 /nfs/dbraw/zinc/49/46/30/1008494630.db2.gz QGTDHXBHFYDEGG-UHFFFAOYSA-N -1 0 320.305 -0.837 20 0 DBADRM CCC1(C(=O)NC[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001457385202 1008525704 /nfs/dbraw/zinc/52/57/04/1008525704.db2.gz TZRNMSVEIVCVIF-MRVPVSSYSA-N -1 0 323.353 -0.045 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001457589417 1008547745 /nfs/dbraw/zinc/54/77/45/1008547745.db2.gz IHNKWTXWWNBDFE-RNFRBKRXSA-N -1 0 310.339 -0.316 20 0 DBADRM CC(C)[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC1CC1 ZINC001457651037 1008567676 /nfs/dbraw/zinc/56/76/76/1008567676.db2.gz MSFTUMZWFSXNSB-VIFPVBQESA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@]1(CC(=O)NCCCc2n[nH]c(=O)[n-]2)CCS(=O)(=O)N1 ZINC001457672855 1008571138 /nfs/dbraw/zinc/57/11/38/1008571138.db2.gz ZSRCPHGWZCQDNL-NSHDSACASA-N -1 0 317.371 -0.969 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001457705490 1008583685 /nfs/dbraw/zinc/58/36/85/1008583685.db2.gz TUEGIIQBVUMVJK-DTWKUNHWSA-N -1 0 311.342 -0.738 20 0 DBADRM Cn1cnnc1COCC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001446591721 1008595149 /nfs/dbraw/zinc/59/51/49/1008595149.db2.gz NVRGMYIGFPPEQS-VIFPVBQESA-N -1 0 306.330 -0.749 20 0 DBADRM O=C(CN1Cc2ccccc2OC1=O)NCc1nc(=O)o[n-]1 ZINC001446608666 1008611496 /nfs/dbraw/zinc/61/14/96/1008611496.db2.gz JREIECKUKSVZAU-UHFFFAOYSA-N -1 0 304.262 -0.006 20 0 DBADRM CC[C@H](F)C(=O)N(C)CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001457817074 1008635740 /nfs/dbraw/zinc/63/57/40/1008635740.db2.gz FVAAWVJZWCXSOF-QMMMGPOBSA-N -1 0 317.321 -0.646 20 0 DBADRM O=C(Cc1cnoc1)NC[C@H](O)CNC(=O)c1ncccc1O ZINC001457976655 1008789767 /nfs/dbraw/zinc/78/97/67/1008789767.db2.gz ZVFKAAJOYLQZSO-JTQLQIEISA-N -1 0 320.305 -0.775 20 0 DBADRM C[C@H](CC(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001446812737 1008808600 /nfs/dbraw/zinc/80/86/00/1008808600.db2.gz GUWYCSVKGUJKBR-BMIGLBTASA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC001458029070 1008810136 /nfs/dbraw/zinc/81/01/36/1008810136.db2.gz UGVOUQAKONTJJI-MRVPVSSYSA-N -1 0 300.340 -0.450 20 0 DBADRM CC[C@H](F)CN1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001446826285 1008813011 /nfs/dbraw/zinc/81/30/11/1008813011.db2.gz CZVHAKPANCJSOX-VIFPVBQESA-N -1 0 300.334 -0.052 20 0 DBADRM C[C@H](C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccco1 ZINC001446879451 1008833908 /nfs/dbraw/zinc/83/39/08/1008833908.db2.gz WCIOASKQHNPRGA-VIFPVBQESA-N -1 0 321.337 -0.430 20 0 DBADRM C[C@@H](C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccco1 ZINC001446879449 1008834320 /nfs/dbraw/zinc/83/43/20/1008834320.db2.gz WCIOASKQHNPRGA-SECBINFHSA-N -1 0 321.337 -0.430 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001458503875 1008843238 /nfs/dbraw/zinc/84/32/38/1008843238.db2.gz PYRKYDSQFJETQD-HRDYMLBCSA-N -1 0 308.338 -0.624 20 0 DBADRM Cc1ccc(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)cc1 ZINC001446905510 1008844723 /nfs/dbraw/zinc/84/47/23/1008844723.db2.gz NDBFQXCGMQBMLL-UHFFFAOYSA-N -1 0 317.349 -0.205 20 0 DBADRM CC(=O)N(C)CC(=O)N1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001458708613 1008868511 /nfs/dbraw/zinc/86/85/11/1008868511.db2.gz QOFAIQCRCZETMR-SNVBAGLBSA-N -1 0 323.353 -0.767 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)Cc2ncc[nH]2)c1[O-] ZINC001458807738 1008879556 /nfs/dbraw/zinc/87/95/56/1008879556.db2.gz XSWGYDLZMIKFKT-SECBINFHSA-N -1 0 318.337 -0.280 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)CCCn2c(=O)[n-][nH]c2=O)cn1 ZINC001447092928 1008895269 /nfs/dbraw/zinc/89/52/69/1008895269.db2.gz KOFNXVXBCHSDHJ-VIFPVBQESA-N -1 0 310.314 -0.947 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)CCCn2c(=O)[n-][nH]c2=O)cn1 ZINC001447092925 1008895364 /nfs/dbraw/zinc/89/53/64/1008895364.db2.gz KOFNXVXBCHSDHJ-SECBINFHSA-N -1 0 310.314 -0.947 20 0 DBADRM CC(C)(C)C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001459046604 1008925832 /nfs/dbraw/zinc/92/58/32/1008925832.db2.gz XZBIITPCUZAELO-UHFFFAOYSA-N -1 0 311.342 -0.500 20 0 DBADRM NC(=O)CCCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001447308160 1009014943 /nfs/dbraw/zinc/01/49/43/1009014943.db2.gz XIDWRDDKAWSRPF-SNVBAGLBSA-N -1 0 324.385 -0.363 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(c2ncccc2F)CC1 ZINC001447319389 1009024948 /nfs/dbraw/zinc/02/49/48/1009024948.db2.gz GWSFLORGSYTKCU-UHFFFAOYSA-N -1 0 322.300 -0.428 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC001447321721 1009025604 /nfs/dbraw/zinc/02/56/04/1009025604.db2.gz YNQLLKADCKRUDG-NEPJUHHUSA-N -1 0 305.338 -0.267 20 0 DBADRM O=C(NC1(C[NH2+]Cc2n[nH]c(=O)[n-]2)CCOCC1)c1cocn1 ZINC001447476131 1009101936 /nfs/dbraw/zinc/10/19/36/1009101936.db2.gz FSMANHUQIFISCO-UHFFFAOYSA-N -1 0 322.325 -0.433 20 0 DBADRM O=c1cc(CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)nc2cc[n-]n21 ZINC001460743580 1009103899 /nfs/dbraw/zinc/10/38/99/1009103899.db2.gz LIQPIAPXTSBKQE-QWRGUYRKSA-N -1 0 322.390 -0.111 20 0 DBADRM CCn1ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1C ZINC001447646209 1009209295 /nfs/dbraw/zinc/20/92/95/1009209295.db2.gz PWXOGXXJZZWBGS-UHFFFAOYSA-N -1 0 302.356 -0.593 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)[C@@H]1COC[C@H]1O)c1cccs1 ZINC001463030754 1009191730 /nfs/dbraw/zinc/19/17/30/1009191730.db2.gz GUGQFYLAIRAPQP-QNSHHTMESA-N -1 0 321.376 -0.359 20 0 DBADRM COC[C@@H](CCO)[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001463459125 1009220500 /nfs/dbraw/zinc/22/05/00/1009220500.db2.gz VXTYKXBHHSKCLK-MRVPVSSYSA-N -1 0 307.324 -0.258 20 0 DBADRM CO[C@@H]([C@H](C)NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C1CC1 ZINC001463707808 1009235553 /nfs/dbraw/zinc/23/55/53/1009235553.db2.gz FIXYSLOPPFGDLY-XVKPBYJWSA-N -1 0 317.367 -0.422 20 0 DBADRM O=C(CC1CC1)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001447694900 1009241295 /nfs/dbraw/zinc/24/12/95/1009241295.db2.gz JMZLEYJQVBFUDZ-UHFFFAOYSA-N -1 0 309.370 -0.247 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)NC[C@H]1CCCN(C(N)=O)C1 ZINC001463815816 1009247684 /nfs/dbraw/zinc/24/76/84/1009247684.db2.gz AIQQLHBDLODPQR-MRVPVSSYSA-N -1 0 312.417 -0.661 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)NC[C@@H]1CCCN(C(N)=O)C1 ZINC001463815817 1009249753 /nfs/dbraw/zinc/24/97/53/1009249753.db2.gz AIQQLHBDLODPQR-QMMMGPOBSA-N -1 0 312.417 -0.661 20 0 DBADRM COCC[C@H]([N-]S(=O)(=O)Cc1nocc1C)C(=O)OC ZINC001463820656 1009249952 /nfs/dbraw/zinc/24/99/52/1009249952.db2.gz WAADVHPNDXFMCU-VIFPVBQESA-N -1 0 306.340 -0.019 20 0 DBADRM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)Cc1cc(OC)ns1 ZINC001463854953 1009255685 /nfs/dbraw/zinc/25/56/85/1009255685.db2.gz JYIITLWIVYCVJD-JTQLQIEISA-N -1 0 324.380 -0.505 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]Cc1n[nH]c([C@@H]2CCCO2)n1 ZINC001463960800 1009269929 /nfs/dbraw/zinc/26/99/29/1009269929.db2.gz LMDMVAAGCKYOSB-ZETCQYMHSA-N -1 0 323.400 -0.282 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1ccc(-n2ccnc2)nc1 ZINC001464067492 1009283965 /nfs/dbraw/zinc/28/39/65/1009283965.db2.gz SAISKDARRNTBFM-UHFFFAOYSA-N -1 0 315.293 -0.414 20 0 DBADRM CN(C)c1noc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001598364392 1017256843 /nfs/dbraw/zinc/25/68/43/1017256843.db2.gz GXISCIUTZLMOAV-UTINFBMNSA-N -1 0 323.353 -0.407 20 0 DBADRM CN(C)c1ncc(CNS(=O)(=O)C2(C(=O)[O-])CCC2)n1C ZINC001598359677 1017256907 /nfs/dbraw/zinc/25/69/07/1017256907.db2.gz XWCZASUWYPXPCE-UHFFFAOYSA-N -1 0 316.383 -0.087 20 0 DBADRM CN([C@@]1(CO)CCOC1)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001598366112 1017257258 /nfs/dbraw/zinc/25/72/58/1017257258.db2.gz BMEFGGDIZJZNJA-GFCCVEGCSA-N -1 0 318.351 -0.505 20 0 DBADRM CN(C)c1ncnc2c1cc(C(=O)NC[C@@H](O)CC(=O)[O-])n2C ZINC001598365324 1017257617 /nfs/dbraw/zinc/25/76/17/1017257617.db2.gz NTDCZVBJCQLJEX-QMMMGPOBSA-N -1 0 321.337 -0.400 20 0 DBADRM CN(C)c1noc(CCC(=O)N[C@]2(CC(=O)[O-])CCOC2)n1 ZINC001598365058 1017257791 /nfs/dbraw/zinc/25/77/91/1017257791.db2.gz HMFBTDZHJXDJOT-ZDUSSCGKSA-N -1 0 312.326 -0.182 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1C(=O)NCC1(C)C ZINC001464109313 1009293259 /nfs/dbraw/zinc/29/32/59/1009293259.db2.gz CNXCGKOKSMMXRB-MRVPVSSYSA-N -1 0 311.429 -0.147 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])n1 ZINC001598352726 1017258385 /nfs/dbraw/zinc/25/83/85/1017258385.db2.gz QFLGPWQUEDJZNH-UHLUBPPHSA-N -1 0 306.326 -0.401 20 0 DBADRM CN(C)c1n[nH]c(CNC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)n1 ZINC001598365585 1017258693 /nfs/dbraw/zinc/25/86/93/1017258693.db2.gz UTZAKXPQUHHVCR-UJVNDKKSSA-N -1 0 308.342 -0.077 20 0 DBADRM CN(CC(=O)NCc1ccc(C(=O)[O-])s1)S(C)(=O)=O ZINC001598392722 1017264110 /nfs/dbraw/zinc/26/41/10/1017264110.db2.gz OXHCQDMOAUXJAL-UHFFFAOYSA-N -1 0 306.365 -0.046 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O ZINC001598403803 1017265027 /nfs/dbraw/zinc/26/50/27/1017265027.db2.gz LYQOKMQWZPSSGD-HNNXBMFYSA-N -1 0 306.318 -0.064 20 0 DBADRM CN(C[C@H](O)CNc1ncc(C(=O)[O-])cn1)C(=O)[C@H]1CCCO1 ZINC001598435334 1017269002 /nfs/dbraw/zinc/26/90/02/1017269002.db2.gz FLBPAGQVHATWOK-GHMZBOCLSA-N -1 0 324.337 -0.415 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001464695982 1009336016 /nfs/dbraw/zinc/33/60/16/1009336016.db2.gz MVRXJRKJUPGWCW-RQJHMYQMSA-N -1 0 320.289 -0.307 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccccc1C(=O)OC ZINC001464694438 1009336655 /nfs/dbraw/zinc/33/66/55/1009336655.db2.gz JVRRCYHMUNLUFB-UHFFFAOYSA-N -1 0 302.308 -0.571 20 0 DBADRM CCCNC(=O)[C@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)OC ZINC001464739289 1009338728 /nfs/dbraw/zinc/33/87/28/1009338728.db2.gz GPAWHMANVOTEJE-ZETCQYMHSA-N -1 0 318.355 -0.611 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC[S@@](=O)Cc1ccccc1 ZINC001464853147 1009343436 /nfs/dbraw/zinc/34/34/36/1009343436.db2.gz JLRJMEBOISSHQV-JOCHJYFZSA-N -1 0 324.362 -0.246 20 0 DBADRM COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnn[n-]1 ZINC001464850155 1009344839 /nfs/dbraw/zinc/34/48/39/1009344839.db2.gz OLEDWRUTVXIGAU-MRVPVSSYSA-N -1 0 314.346 -0.254 20 0 DBADRM CN(C[C@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)[C@H]1CC12CC2 ZINC001598435820 1017269053 /nfs/dbraw/zinc/26/90/53/1017269053.db2.gz HTNTYTPBOJAQDH-NXEZZACHSA-N -1 0 320.349 -0.372 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001464880035 1009347220 /nfs/dbraw/zinc/34/72/20/1009347220.db2.gz FWKHDGJOVAZLJW-OUAUKWLOSA-N -1 0 311.342 -0.459 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001464880019 1009347582 /nfs/dbraw/zinc/34/75/82/1009347582.db2.gz FWKHDGJOVAZLJW-GARJFASQSA-N -1 0 311.342 -0.459 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCOC[C@@H]1[C@H]1CCCO1 ZINC001598408716 1017267648 /nfs/dbraw/zinc/26/76/48/1017267648.db2.gz CFVCNKMRUSHLCK-VXGBXAGGSA-N -1 0 300.355 -0.201 20 0 DBADRM CNC(=O)CCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001464894279 1009351587 /nfs/dbraw/zinc/35/15/87/1009351587.db2.gz UYHHHJHMYIQZJR-UHFFFAOYSA-N -1 0 303.326 -0.669 20 0 DBADRM CC(C)OC(=O)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001464952722 1009356059 /nfs/dbraw/zinc/35/60/59/1009356059.db2.gz QUOZRIVYFMNCPL-UHFFFAOYSA-N -1 0 320.305 -0.052 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)CN2CCCC2=O)c1[O-] ZINC001447866895 1009358822 /nfs/dbraw/zinc/35/88/22/1009358822.db2.gz HARONFVZWRIYJA-QMMMGPOBSA-N -1 0 323.353 -0.719 20 0 DBADRM CS(=O)(=O)C1(C(=O)[N-]OC[C@H]2CCOC2)CCOCC1 ZINC001447894888 1009379693 /nfs/dbraw/zinc/37/96/93/1009379693.db2.gz PDGRVJLGYNPSSX-JTQLQIEISA-N -1 0 307.368 -0.336 20 0 DBADRM COCC[C@](C)(O)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001465426556 1009373111 /nfs/dbraw/zinc/37/31/11/1009373111.db2.gz PNPAUZZZYCICAF-AWEZNQCLSA-N -1 0 320.353 -0.408 20 0 DBADRM CCC[C@@H](NC(=O)C[C@@]1(C)CCS(=O)(=O)N1)c1nnn[n-]1 ZINC001465684960 1009383006 /nfs/dbraw/zinc/38/30/06/1009383006.db2.gz FPQDAGZUZNSEDV-LDYMZIIASA-N -1 0 316.387 -0.371 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001465738911 1009386323 /nfs/dbraw/zinc/38/63/23/1009386323.db2.gz AVEGHZFEUVWPMC-UHFFFAOYSA-N -1 0 301.372 -0.442 20 0 DBADRM CN(C)C(=O)NCCN(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001466102050 1009400652 /nfs/dbraw/zinc/40/06/52/1009400652.db2.gz RYWXSROGQBZLRV-UHFFFAOYSA-N -1 0 302.360 -0.668 20 0 DBADRM COc1cccc(-n2cc(C(=O)NCc3nc(=O)o[n-]3)nn2)c1 ZINC001466305075 1009413926 /nfs/dbraw/zinc/41/39/26/1009413926.db2.gz NOUMKMOBSDKCQR-UHFFFAOYSA-N -1 0 316.277 -0.118 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@](C)(COC)CC(=O)OC ZINC001466547334 1009428497 /nfs/dbraw/zinc/42/84/97/1009428497.db2.gz NDZLGWNENYTTPG-NSHDSACASA-N -1 0 300.319 -0.795 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H](O)c1ccc(OC)cc1 ZINC001466546659 1009429626 /nfs/dbraw/zinc/42/96/26/1009429626.db2.gz QQEIYNVMZJRYDQ-LLVKDONJSA-N -1 0 306.326 -0.021 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1COc2ccccc2[C@H]1O ZINC001466547021 1009430405 /nfs/dbraw/zinc/43/04/05/1009430405.db2.gz BJIMNUZTRAMXCM-GXSJLCMTSA-N -1 0 304.310 -0.269 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)Cc2nncn2C)c1[O-] ZINC001448005061 1009444437 /nfs/dbraw/zinc/44/44/37/1009444437.db2.gz DNVLXEJLRGVRGK-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM Cc1ccn2ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c2c1 ZINC001466837305 1009452265 /nfs/dbraw/zinc/45/22/65/1009452265.db2.gz FZWDMSCXOXZKGI-UHFFFAOYSA-N -1 0 324.362 -0.162 20 0 DBADRM O=C(C[C@H]1CCC(=O)NC1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001448015730 1009458406 /nfs/dbraw/zinc/45/84/06/1009458406.db2.gz GSVOIHURMYBDJR-RKDXNWHRSA-N -1 0 310.383 -0.268 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC001467284559 1009481560 /nfs/dbraw/zinc/48/15/60/1009481560.db2.gz ZCAHIRKLZAWWAE-QMMMGPOBSA-N -1 0 319.412 -0.361 20 0 DBADRM O=C([N-]OCCO)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001467302443 1009485820 /nfs/dbraw/zinc/48/58/20/1009485820.db2.gz SQDVMQMKOKSYCD-SNVBAGLBSA-N -1 0 310.310 -0.783 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1nc2n(c1C(=O)OC)CCC2 ZINC001467325763 1009485826 /nfs/dbraw/zinc/48/58/26/1009485826.db2.gz AHOUUMQRXNAPDU-UHFFFAOYSA-N -1 0 311.298 -0.585 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448045672 1009490467 /nfs/dbraw/zinc/49/04/67/1009490467.db2.gz LQEBDBYVCJPEBB-UWVGGRQHSA-N -1 0 324.385 -0.685 20 0 DBADRM COC1(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CCOCC1 ZINC001467455972 1009494661 /nfs/dbraw/zinc/49/46/61/1009494661.db2.gz LCDLXUZHBQBTBL-UHFFFAOYSA-N -1 0 311.342 -0.795 20 0 DBADRM Cc1oc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cc1CO ZINC001467455226 1009495628 /nfs/dbraw/zinc/49/56/28/1009495628.db2.gz BZXKUFPOJWAHJS-UHFFFAOYSA-N -1 0 307.310 -0.283 20 0 DBADRM Cc1nn(C)cc1CCC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001467456795 1009496573 /nfs/dbraw/zinc/49/65/73/1009496573.db2.gz SGPYYTKDFCNMGY-UHFFFAOYSA-N -1 0 319.369 -0.316 20 0 DBADRM O=C([C@@H]1CSCC(=O)N1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001467508582 1009503525 /nfs/dbraw/zinc/50/35/25/1009503525.db2.gz MHKDOUMLIJXTTN-SFYZADRCSA-N -1 0 311.367 -0.552 20 0 DBADRM COc1nccc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001448062554 1009504469 /nfs/dbraw/zinc/50/44/69/1009504469.db2.gz CGWFRWZXGCNORI-MRVPVSSYSA-N -1 0 321.341 -0.441 20 0 DBADRM O=C(C[C@H]1C=CS(=O)(=O)C1)NCCc1n[n-]c(=S)o1 ZINC001448074566 1009512047 /nfs/dbraw/zinc/51/20/47/1009512047.db2.gz MSWPGRGSSCHKMV-SSDOTTSWSA-N -1 0 303.365 -0.035 20 0 DBADRM O=C(NCCc1n[n-]c(=S)o1)[C@@H]1COCCN1CC(F)F ZINC001448074399 1009512808 /nfs/dbraw/zinc/51/28/08/1009512808.db2.gz LGPIBUOUCSXIGF-ZETCQYMHSA-N -1 0 322.337 -0.017 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)C1=O ZINC001467666357 1009514369 /nfs/dbraw/zinc/51/43/69/1009514369.db2.gz UVJHOIUSGIXUJS-KKFJDGPESA-N -1 0 322.325 -0.661 20 0 DBADRM CC1(C)CCN(C(=O)CCCc2nnn[n-]2)CCS1(=O)=O ZINC001467717507 1009517456 /nfs/dbraw/zinc/51/74/56/1009517456.db2.gz VEIFVXZGIMYDTO-UHFFFAOYSA-N -1 0 315.399 -0.052 20 0 DBADRM CO[C@@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@@H]1OC ZINC001467710106 1009517835 /nfs/dbraw/zinc/51/78/35/1009517835.db2.gz SQEFYMIKCGAPQK-TXEJJXNPSA-N -1 0 318.337 -0.439 20 0 DBADRM Cn1[n-]c(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)cc1=O ZINC001467877825 1009526667 /nfs/dbraw/zinc/52/66/67/1009526667.db2.gz YQKBRBAYWAQQLW-UHFFFAOYSA-N -1 0 307.310 -0.624 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)Cc1ccnn1C ZINC001448122581 1009542429 /nfs/dbraw/zinc/54/24/29/1009542429.db2.gz OHWIUUSMZAXQBP-VIFPVBQESA-N -1 0 323.357 -0.941 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@@H]1CCCC[C@H]1O ZINC001468127084 1009543799 /nfs/dbraw/zinc/54/37/99/1009543799.db2.gz XLNSISJSKWUOQP-GXSJLCMTSA-N -1 0 305.338 -0.262 20 0 DBADRM CN(C[C@H](O)CN1C[C@H](O)C[C@@H]1C(=O)[O-])C(=O)OC(C)(C)C ZINC001598437120 1017269797 /nfs/dbraw/zinc/26/97/97/1017269797.db2.gz SWMRZTNFXIUVCZ-OUAUKWLOSA-N -1 0 318.370 -0.266 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)c1cc(C(=O)[O-])ccn1 ZINC001598435329 1017269825 /nfs/dbraw/zinc/26/98/25/1017269825.db2.gz FKPSQZGYZZLOSP-LBPRGKRZSA-N -1 0 323.349 -0.455 20 0 DBADRM CN(C[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)c1cocn1 ZINC001598435517 1017269842 /nfs/dbraw/zinc/26/98/42/1017269842.db2.gz FTORYTYIJMDOMP-QMMMGPOBSA-N -1 0 321.293 -0.870 20 0 DBADRM CN(CC1CC1)C(=O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001598448924 1017270686 /nfs/dbraw/zinc/27/06/86/1017270686.db2.gz YRDPNFXLJQYJEE-NSHDSACASA-N -1 0 318.395 -0.572 20 0 DBADRM CN(C[C@H]1CCC[C@H]1O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001598454616 1017270747 /nfs/dbraw/zinc/27/07/47/1017270747.db2.gz FWEXCHDEIYTRAR-GHMZBOCLSA-N -1 0 315.370 -0.230 20 0 DBADRM CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598455791 1017270821 /nfs/dbraw/zinc/27/08/21/1017270821.db2.gz PHRPDTFRKMHIMU-NNYUYHANSA-N -1 0 312.366 -0.025 20 0 DBADRM O=C(NC[C@H](O)Cc1cccc(F)c1)c1n[nH]c(=O)[n-]c1=O ZINC001468470772 1009569618 /nfs/dbraw/zinc/56/96/18/1009569618.db2.gz BPCWJQCFRZSDEL-SECBINFHSA-N -1 0 308.269 -0.245 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001598467103 1017271872 /nfs/dbraw/zinc/27/18/72/1017271872.db2.gz JPAXGROHVWWCFP-JTQLQIEISA-N -1 0 316.354 -0.523 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)CC(N)=O)C1)c1ncc(C(=O)[O-])cn1 ZINC001598461533 1017272123 /nfs/dbraw/zinc/27/21/23/1017272123.db2.gz HTJACLFWAPVSSF-VIFPVBQESA-N -1 0 321.337 -0.665 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1nc(C(F)F)no1 ZINC001598470151 1017272329 /nfs/dbraw/zinc/27/23/29/1017272329.db2.gz LQBXQBBBTLAQQP-UHFFFAOYSA-N -1 0 314.270 -0.252 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCCn2nncc2C1 ZINC001598471196 1017272431 /nfs/dbraw/zinc/27/24/31/1017272431.db2.gz XFVOYISISVOXSE-UHFFFAOYSA-N -1 0 303.344 -0.865 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@H]1C1OCCO1 ZINC001598470548 1017272583 /nfs/dbraw/zinc/27/25/83/1017272583.db2.gz OEVQEKABDOKKNB-VIFPVBQESA-N -1 0 308.356 -0.525 20 0 DBADRM O=C(Cn1ncn2nccc2c1=O)[N-]OCc1ccccn1 ZINC001468833227 1009588623 /nfs/dbraw/zinc/58/86/23/1009588623.db2.gz IWEILCAYFQILGM-UHFFFAOYSA-N -1 0 300.278 -0.466 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1nnnn1C ZINC001598476902 1017275182 /nfs/dbraw/zinc/27/51/82/1017275182.db2.gz AMUPPRORSYNXOJ-NXEZZACHSA-N -1 0 310.358 -0.789 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)N3C[C@@H](O)[C@H](CO)C3)cc2=O)cc1 ZINC001468869922 1009596629 /nfs/dbraw/zinc/59/66/29/1009596629.db2.gz SWMWNEKSPBZSSJ-SMDDNHRTSA-N -1 0 317.345 -0.101 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1ccn(C)n1 ZINC001598480197 1017276452 /nfs/dbraw/zinc/27/64/52/1017276452.db2.gz SQODZQBHEZILPS-ZJUUUORDSA-N -1 0 308.338 -0.281 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001598479902 1017276996 /nfs/dbraw/zinc/27/69/96/1017276996.db2.gz NSQNUKZOCPJZTK-LVEVGFFFSA-N -1 0 310.350 -0.436 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1nccnc1N ZINC001598480686 1017277029 /nfs/dbraw/zinc/27/70/29/1017277029.db2.gz YUPJLHXSDCGATL-DTWKUNHWSA-N -1 0 321.337 -0.642 20 0 DBADRM CN(CCCNC(=O)Cc1cnn(C)c1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598480841 1017277049 /nfs/dbraw/zinc/27/70/49/1017277049.db2.gz ZBXGHAHWIOPTFN-NEPJUHHUSA-N -1 0 322.365 -0.352 20 0 DBADRM CN(CCCNC(=O)c1c[nH]c(=O)n1C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598481177 1017277140 /nfs/dbraw/zinc/27/71/40/1017277140.db2.gz IMVBEWJCOFGBDZ-RKDXNWHRSA-N -1 0 324.337 -0.575 20 0 DBADRM CN(CCN(C)c1nccn2nnnc12)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598487368 1017278553 /nfs/dbraw/zinc/27/85/53/1017278553.db2.gz MGESSBZSJYOJHT-IUCAKERBSA-N -1 0 319.325 -0.865 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)Cc1ccon1 ZINC001598486944 1017278768 /nfs/dbraw/zinc/27/87/68/1017278768.db2.gz XHQGEUOZBRLYCL-MNOVXSKESA-N -1 0 309.322 -0.145 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1cn(C)cn1 ZINC001598485182 1017278987 /nfs/dbraw/zinc/27/89/87/1017278987.db2.gz CUMNHUBBWLITDF-NXEZZACHSA-N -1 0 308.338 -0.329 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1cnsn1 ZINC001598485422 1017279303 /nfs/dbraw/zinc/27/93/03/1017279303.db2.gz DDEISOZSYZQMFW-SFYZADRCSA-N -1 0 312.351 -0.211 20 0 DBADRM CN(CCCNC(=O)c1ccnn1C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598481244 1017279448 /nfs/dbraw/zinc/27/94/48/1017279448.db2.gz KHUASIDZPASSRU-UWVGGRQHSA-N -1 0 308.338 -0.281 20 0 DBADRM CN(CCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598481421 1017279735 /nfs/dbraw/zinc/27/97/35/1017279735.db2.gz RICFADGQWDKOPR-JCIQBVFBSA-N -1 0 310.350 -0.436 20 0 DBADRM CN(CCN(C)c1ncc(C(=O)[O-])cn1)C(=O)CCCC(N)=O ZINC001598487612 1017282768 /nfs/dbraw/zinc/28/27/68/1017282768.db2.gz XUKQHZQMISBIQZ-UHFFFAOYSA-N -1 0 323.353 -0.275 20 0 DBADRM CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)c1cnon1 ZINC001598482809 1017279948 /nfs/dbraw/zinc/27/99/48/1017279948.db2.gz GZAINCKLQZBKLR-UHFFFAOYSA-N -1 0 306.282 -0.446 20 0 DBADRM CN(CCCNc1ncc(C(=O)[O-])cn1)C(=O)c1ncn(C)n1 ZINC001598482860 1017280390 /nfs/dbraw/zinc/28/03/90/1017280390.db2.gz HVGGGADIFPIYPO-UHFFFAOYSA-N -1 0 319.325 -0.123 20 0 DBADRM CN(CCCNC(=O)c1ccncn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598481277 1017280523 /nfs/dbraw/zinc/28/05/23/1017280523.db2.gz LGHBIQYKUBMOCO-ZJUUUORDSA-N -1 0 306.322 -0.224 20 0 DBADRM CN(CCNC(=O)CCn1cccn1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598489917 1017281258 /nfs/dbraw/zinc/28/12/58/1017281258.db2.gz BKUZIUQPGMMOLD-WDEREUQCSA-N -1 0 308.338 -0.432 20 0 DBADRM O=C(N[C@H]1CCNC(=O)CC1)c1ccc(-c2nn[nH]n2)cn1 ZINC001469182330 1009636313 /nfs/dbraw/zinc/63/63/13/1009636313.db2.gz MEGULTYGOCPOOZ-SECBINFHSA-N -1 0 301.310 -0.340 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@H](c2nnc[nH]2)C1 ZINC001469255666 1009644975 /nfs/dbraw/zinc/64/49/75/1009644975.db2.gz GAWCCSXMWQXGDT-QMMMGPOBSA-N -1 0 307.314 -0.396 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1SC ZINC001469387582 1009653678 /nfs/dbraw/zinc/65/36/78/1009653678.db2.gz WYBQGGUGDGNRIS-BHNWBGBOSA-N -1 0 302.356 -0.286 20 0 DBADRM O=C(N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001469483902 1009656748 /nfs/dbraw/zinc/65/67/48/1009656748.db2.gz IVDYTFLSEMJPTH-WPRPVWTQSA-N -1 0 324.337 -0.277 20 0 DBADRM Cn1ccnc1[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)(C)CO ZINC001469488711 1009656983 /nfs/dbraw/zinc/65/69/83/1009656983.db2.gz WAHVGHQYVBSZTE-SECBINFHSA-N -1 0 324.341 -0.701 20 0 DBADRM COC(=O)[C@@H]1CO[C@H](CCC(=O)N(C)Cc2nc(=O)o[n-]2)C1 ZINC001469452018 1009657988 /nfs/dbraw/zinc/65/79/88/1009657988.db2.gz QYGODJOMOWCXRZ-DTWKUNHWSA-N -1 0 313.310 -0.320 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001469795161 1009689494 /nfs/dbraw/zinc/68/94/94/1009689494.db2.gz HVKBAUJRCYVXSR-UHFFFAOYSA-N -1 0 319.383 -0.872 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@@H](O)C(F)(F)C1 ZINC001469931962 1009700954 /nfs/dbraw/zinc/70/09/54/1009700954.db2.gz IWPYUIGIKLTCFW-SSDOTTSWSA-N -1 0 306.269 -0.302 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC[S@](=O)CC(F)(F)F ZINC001470057499 1009711816 /nfs/dbraw/zinc/71/18/16/1009711816.db2.gz MOPUQNHNAISMJJ-FQEVSTJZSA-N -1 0 316.261 -0.884 20 0 DBADRM Cc1ccnc(NC(=O)CN(C)C(=O)CCc2nnn[n-]2)c1 ZINC001470065335 1009710634 /nfs/dbraw/zinc/71/06/34/1009710634.db2.gz GQBIIJHBTOXTRZ-UHFFFAOYSA-N -1 0 303.326 -0.067 20 0 DBADRM Cc1nn(C)cc1CC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448342222 1009722578 /nfs/dbraw/zinc/72/25/78/1009722578.db2.gz FQVRSGVYTBBUPX-UHFFFAOYSA-N -1 0 305.342 -0.706 20 0 DBADRM O=C(CCc1ccc(=O)[nH]c1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448340440 1009723374 /nfs/dbraw/zinc/72/33/74/1009723374.db2.gz DMQYCROYOFXETQ-UHFFFAOYSA-N -1 0 318.337 -0.257 20 0 DBADRM O=C(C=Cc1cncc(O)c1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448342247 1009725992 /nfs/dbraw/zinc/72/59/92/1009725992.db2.gz IMKOLNXRZCSMAP-UPHRSURJSA-N -1 0 316.321 -0.176 20 0 DBADRM CC(C)(C)N1C[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1=O ZINC001470312827 1009731593 /nfs/dbraw/zinc/73/15/93/1009731593.db2.gz SWUHDGTVZQKJNG-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM CSCC[C@H](NC(=O)c1ccc(C(N)=O)nc1)c1nnn[n-]1 ZINC001470329887 1009735805 /nfs/dbraw/zinc/73/58/05/1009735805.db2.gz SFHMOXXZPDZKRJ-VIFPVBQESA-N -1 0 321.366 -0.082 20 0 DBADRM CSCC[C@H](NC(=O)C1CS(=O)(=O)C1)c1nnn[n-]1 ZINC001470329476 1009735979 /nfs/dbraw/zinc/73/59/79/1009735979.db2.gz LTHIICWBKWQENX-ZETCQYMHSA-N -1 0 305.385 -0.845 20 0 DBADRM C[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)NCCF ZINC001448372272 1009736673 /nfs/dbraw/zinc/73/66/73/1009736673.db2.gz OCUOIDRCTOATJJ-SSDOTTSWSA-N -1 0 303.294 -0.940 20 0 DBADRM C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)NCCF ZINC001448372349 1009736839 /nfs/dbraw/zinc/73/68/39/1009736839.db2.gz OCUOIDRCTOATJJ-ZETCQYMHSA-N -1 0 303.294 -0.940 20 0 DBADRM Cn1cnnc1[C@@H](CO)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001470345323 1009742510 /nfs/dbraw/zinc/74/25/10/1009742510.db2.gz NNMAMFKPRKDVRI-SSDOTTSWSA-N -1 0 304.266 -0.480 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC001470543090 1009753635 /nfs/dbraw/zinc/75/36/35/1009753635.db2.gz IEVMNOHBLDJBHF-UHFFFAOYSA-N -1 0 307.372 -0.822 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CC(=O)N(C)C2=O)cc1=O ZINC001448420050 1009761516 /nfs/dbraw/zinc/76/15/16/1009761516.db2.gz OTAVATHXVARSRQ-SNVBAGLBSA-N -1 0 308.338 -0.752 20 0 DBADRM CS(=O)(=O)c1ccccc1C(=O)[N-]n1ccc(=O)[nH]c1=O ZINC001470661382 1009775249 /nfs/dbraw/zinc/77/52/49/1009775249.db2.gz ZUSFBGKIYAPWAA-UHFFFAOYSA-N -1 0 309.303 -0.264 20 0 DBADRM CS(=O)(=O)CCCC(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001471334850 1009817121 /nfs/dbraw/zinc/81/71/21/1009817121.db2.gz FRHWKYAZVLLFAT-UHFFFAOYSA-N -1 0 301.372 -0.270 20 0 DBADRM NC(=O)Cc1cccc2c1CCN(C(=O)CCc1nnn[n-]1)C2 ZINC001471081643 1009806127 /nfs/dbraw/zinc/80/61/27/1009806127.db2.gz JCPLQLPYJRTISX-UHFFFAOYSA-N -1 0 314.349 -0.255 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001471336370 1009818082 /nfs/dbraw/zinc/81/80/82/1009818082.db2.gz KKODVELYCKAQRW-SFYZADRCSA-N -1 0 315.305 -0.090 20 0 DBADRM Cc1cn2nc(C(=O)N3CC[C@H](c4nnn[n-]4)C3)cc2c(=O)[nH]1 ZINC001471459556 1009823893 /nfs/dbraw/zinc/82/38/93/1009823893.db2.gz HRSRHXSFISCDKK-QMMMGPOBSA-N -1 0 314.309 -0.526 20 0 DBADRM NC(=O)c1ccc(C=CC(=O)N2CC[C@@H](c3nnn[n-]3)C2)o1 ZINC001471459635 1009824643 /nfs/dbraw/zinc/82/46/43/1009824643.db2.gz JNBFRJTYEZTICI-DLRBJTRDSA-N -1 0 302.294 -0.079 20 0 DBADRM NC(=O)c1ccc(C=CC(=O)N2CC[C@H](c3nnn[n-]3)C2)o1 ZINC001471459637 1009824828 /nfs/dbraw/zinc/82/48/28/1009824828.db2.gz JNBFRJTYEZTICI-LTMVXPGCSA-N -1 0 302.294 -0.079 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001471459495 1009824862 /nfs/dbraw/zinc/82/48/62/1009824862.db2.gz FTPXNRFDFSJPKI-SECBINFHSA-N -1 0 315.337 -0.273 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)cc1 ZINC001471460045 1009825041 /nfs/dbraw/zinc/82/50/41/1009825041.db2.gz NZBFFVLMAFIXFG-NSHDSACASA-N -1 0 315.337 -0.002 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CC[C@H](c3nnn[n-]3)C2)O1 ZINC001471459180 1009825286 /nfs/dbraw/zinc/82/52/86/1009825286.db2.gz BYBOIYFXCPEQMQ-AEJSXWLSSA-N -1 0 308.342 -0.671 20 0 DBADRM CCO[C@H]1C[C@H](O)C12CCN(C(=O)NCC(=O)[N-]OC)CC2 ZINC001471479854 1009825619 /nfs/dbraw/zinc/82/56/19/1009825619.db2.gz DRSHHSYVAMAUTG-QWRGUYRKSA-N -1 0 315.370 -0.375 20 0 DBADRM COC12CCC(C(=O)NCCc3nc(=O)o[n-]3)(CC1)C(=O)C2 ZINC001448631497 1009832786 /nfs/dbraw/zinc/83/27/86/1009832786.db2.gz SNEWPWRJRVTYIG-UHFFFAOYSA-N -1 0 309.322 -0.060 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N(Cc1nnn[n-]1)CC(C)C ZINC001471646087 1009835182 /nfs/dbraw/zinc/83/51/82/1009835182.db2.gz AVGWPPBLTLDMNQ-SECBINFHSA-N -1 0 318.403 -0.488 20 0 DBADRM CCOC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)CCc1nnn[n-]1 ZINC001471780082 1009844450 /nfs/dbraw/zinc/84/44/50/1009844450.db2.gz FGGAEXLLNPYEMT-NXEZZACHSA-N -1 0 311.342 -0.251 20 0 DBADRM COC(=O)N[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001471803524 1009846432 /nfs/dbraw/zinc/84/64/32/1009846432.db2.gz BJGCQRCZYSKRLW-QMMMGPOBSA-N -1 0 305.294 -0.407 20 0 DBADRM COC[C@@H](NC(=O)Cc1ccc2c(c1)OCO2)c1nnn[n-]1 ZINC001471844117 1009848137 /nfs/dbraw/zinc/84/81/37/1009848137.db2.gz TXSOMHIFHVGPIK-SECBINFHSA-N -1 0 305.294 -0.025 20 0 DBADRM COC[C@@H](NC(=O)c1cccc(CNC(C)=O)c1)c1nnn[n-]1 ZINC001471845131 1009848560 /nfs/dbraw/zinc/84/85/60/1009848560.db2.gz FJNUMLCMBWJETC-GFCCVEGCSA-N -1 0 318.337 -0.047 20 0 DBADRM COC[C@@H](NC(=O)c1ccoc1CC(=O)OC)c1nnn[n-]1 ZINC001471845322 1009848792 /nfs/dbraw/zinc/84/87/92/1009848792.db2.gz JROZMZOFLQYNJX-MRVPVSSYSA-N -1 0 309.282 -0.374 20 0 DBADRM COC[C@H](NC(=O)COc1ccccc1C=O)c1nnn[n-]1 ZINC001471843124 1009849653 /nfs/dbraw/zinc/84/96/53/1009849653.db2.gz ALYOAHQTAFIFRV-JTQLQIEISA-N -1 0 305.294 -0.105 20 0 DBADRM C[C@@H]1CO[C@H](C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)C1 ZINC001472128172 1009867738 /nfs/dbraw/zinc/86/77/38/1009867738.db2.gz AKQBSJDUKNHDHN-QWRGUYRKSA-N -1 0 321.381 -0.030 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 ZINC001472186754 1009871996 /nfs/dbraw/zinc/87/19/96/1009871996.db2.gz ZBFAIDGDZBDZJS-UHFFFAOYSA-N -1 0 315.351 -0.642 20 0 DBADRM O=C(NC1CC(NCC(F)(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC001472199359 1009873777 /nfs/dbraw/zinc/87/37/77/1009873777.db2.gz JQLVCSKRFGGJRA-UHFFFAOYSA-N -1 0 307.232 -0.305 20 0 DBADRM COC(=O)[C@](C)(Cn1cccn1)NC(=O)c1cc(=O)n(C)[n-]1 ZINC001472282912 1009878371 /nfs/dbraw/zinc/87/83/71/1009878371.db2.gz CLIXWSIUDFKJNL-ZDUSSCGKSA-N -1 0 307.310 -0.316 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)[N-]OCCOc1ccccc1 ZINC001472340656 1009881593 /nfs/dbraw/zinc/88/15/93/1009881593.db2.gz CPEMEBNRFVEZND-UHFFFAOYSA-N -1 0 309.322 -0.635 20 0 DBADRM Cn1[n-]c(C(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)cc1=O ZINC001472415630 1009884942 /nfs/dbraw/zinc/88/49/42/1009884942.db2.gz KUICKUNHAUJUGZ-JGVFFNPUSA-N -1 0 302.356 -0.687 20 0 DBADRM CCCCS(=O)(=O)CC(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC001472519038 1009886739 /nfs/dbraw/zinc/88/67/39/1009886739.db2.gz LECOECMIOWKNBN-UHFFFAOYSA-N -1 0 304.372 -0.226 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)C2(S(C)(=O)=O)CCC2)n[n-]1 ZINC001472498258 1009887162 /nfs/dbraw/zinc/88/71/62/1009887162.db2.gz KSDAGXUISSDYDW-UHFFFAOYSA-N -1 0 322.368 -0.886 20 0 DBADRM CO[C@H](C)C(=O)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC001472939969 1009898833 /nfs/dbraw/zinc/89/88/33/1009898833.db2.gz HNZXVPZROQLEEX-LLVKDONJSA-N -1 0 319.365 -0.298 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)c1[O-] ZINC001472949225 1009899903 /nfs/dbraw/zinc/89/99/03/1009899903.db2.gz AZYNYLXVIWCELY-UHFFFAOYSA-N -1 0 316.383 -0.774 20 0 DBADRM CCN1CC[C@H](N2CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)C1=O ZINC001472949371 1009902528 /nfs/dbraw/zinc/90/25/28/1009902528.db2.gz DENBQVYZGISHBV-NSHDSACASA-N -1 0 321.381 -0.198 20 0 DBADRM Cc1ccncc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001448823502 1009902748 /nfs/dbraw/zinc/90/27/48/1009902748.db2.gz DIALXIOKFVGGAB-SECBINFHSA-N -1 0 306.326 -0.906 20 0 DBADRM O=C(c1cn2c(n1)CCC2)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001472958338 1009906112 /nfs/dbraw/zinc/90/61/12/1009906112.db2.gz JCLYAOPCHZOSAS-UHFFFAOYSA-N -1 0 317.353 -0.389 20 0 DBADRM O=C(CN1CCS(=O)(=O)CCO1)[N-]OCc1ccccc1 ZINC001473894554 1009962949 /nfs/dbraw/zinc/96/29/49/1009962949.db2.gz LIYOYPBGSSXBOS-UHFFFAOYSA-N -1 0 314.363 -0.104 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ncc[n-]1)CC2 ZINC001475078212 1009993616 /nfs/dbraw/zinc/99/36/16/1009993616.db2.gz ALTUZAHARHJUOU-QMMMGPOBSA-N -1 0 312.355 -0.559 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC1(CO)COC1 ZINC001475121260 1009995657 /nfs/dbraw/zinc/99/56/57/1009995657.db2.gz XEJKLQOHSJOSHL-GOSISDBHSA-N -1 0 314.429 -0.274 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCC[C@H](C)CO)n[nH]1 ZINC001475167323 1010001933 /nfs/dbraw/zinc/00/19/33/1010001933.db2.gz OUQKQGGVFWGHKH-QMMMGPOBSA-N -1 0 305.356 -0.117 20 0 DBADRM O=S(=O)(NC[C@@H]1COC2(CCOCC2)O1)c1ncc[n-]1 ZINC001475138205 1010002073 /nfs/dbraw/zinc/00/20/73/1010002073.db2.gz QVVCUZGPFLHUBW-SECBINFHSA-N -1 0 303.340 -0.390 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC2OCCCO2)on1 ZINC001475210168 1010009476 /nfs/dbraw/zinc/00/94/76/1010009476.db2.gz NVULHKUJZCHFCM-UHFFFAOYSA-N -1 0 306.296 -0.498 20 0 DBADRM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001475453014 1010029770 /nfs/dbraw/zinc/02/97/70/1010029770.db2.gz GTONPZTTYXERHK-LWESTGQBSA-N -1 0 319.380 -0.704 20 0 DBADRM Cn1c2ccc(S(=O)(=O)[N-]N3CCCC3=O)cc2oc1=O ZINC001475565395 1010036476 /nfs/dbraw/zinc/03/64/76/1010036476.db2.gz ZYSMDCPGKXGGKY-UHFFFAOYSA-N -1 0 311.319 -0.053 20 0 DBADRM CCC(F)(F)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001595216889 1017080404 /nfs/dbraw/zinc/08/04/04/1017080404.db2.gz PIRYYALATSAYSZ-BQBZGAKWSA-N -1 0 319.264 -0.362 20 0 DBADRM CC[C@@H](Cc1cn(CC(=O)N2CCN(C)CC2)nn1)C(=O)[O-] ZINC001595220049 1017080471 /nfs/dbraw/zinc/08/04/71/1017080471.db2.gz TXWTYIZXEMPJNS-NSHDSACASA-N -1 0 309.370 -0.295 20 0 DBADRM CC[C@](COC)(NC(=O)c1cn(CCOC)nn1)C(=O)[O-] ZINC001595195211 1017080652 /nfs/dbraw/zinc/08/06/52/1017080652.db2.gz WTLATNFCDJOUAI-GFCCVEGCSA-N -1 0 300.315 -0.466 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1nc[nH]c1Br ZINC001475745258 1010053817 /nfs/dbraw/zinc/05/38/17/1010053817.db2.gz LYNIMXVZFKXIPJ-UHFFFAOYSA-N -1 0 313.133 -0.872 20 0 DBADRM COC(=O)C(F)(F)C[N-]S(=O)(=O)CCCS(C)(=O)=O ZINC001475755079 1010054378 /nfs/dbraw/zinc/05/43/78/1010054378.db2.gz SPDQMOPVZUCGNC-UHFFFAOYSA-N -1 0 323.339 -0.851 20 0 DBADRM CC[C@](COC)(NC(=O)c1ccnc2c1nnn2C)C(=O)[O-] ZINC001595194363 1017081406 /nfs/dbraw/zinc/08/14/06/1017081406.db2.gz NZQFFUCYPUGKKE-CYBMUJFWSA-N -1 0 307.310 -0.027 20 0 DBADRM CC[C@H](Cc1cn(C[C@H](O)CN2CCOCC2)nn1)C(=O)[O-] ZINC001595220293 1017081529 /nfs/dbraw/zinc/08/15/29/1017081529.db2.gz XBMAJCOGHZDMBF-DGCLKSJQSA-N -1 0 312.370 -0.376 20 0 DBADRM CC[C@@](COC)(NCc1nc(CC(=O)NC)no1)C(=O)[O-] ZINC001595199479 1017081734 /nfs/dbraw/zinc/08/17/34/1017081734.db2.gz HULUKSTYZBBERC-LBPRGKRZSA-N -1 0 300.315 -0.673 20 0 DBADRM CCCC(=O)N1CC(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)C1 ZINC001595522020 1017089090 /nfs/dbraw/zinc/08/90/90/1017089090.db2.gz JEOOFLYVEHGGEL-QWHCGFSZSA-N -1 0 323.393 -0.138 20 0 DBADRM CCCC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001595521745 1017089143 /nfs/dbraw/zinc/08/91/43/1017089143.db2.gz ABTDJUWLUSIPRK-MNOVXSKESA-N -1 0 312.366 -0.023 20 0 DBADRM CC[C@H](NC(=O)NC[C@H]1C[C@H]1C(=O)[O-])C(=O)N1CCOCC1 ZINC001595253614 1017082491 /nfs/dbraw/zinc/08/24/91/1017082491.db2.gz VCDMRDSQIDLFED-MXWKQRLJSA-N -1 0 313.354 -0.356 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)NC[C@H](O)CC(=O)[O-])C1=O ZINC001595376518 1017084638 /nfs/dbraw/zinc/08/46/38/1017084638.db2.gz ARGATVYQTDEPGT-MRVPVSSYSA-N -1 0 315.326 -0.951 20 0 DBADRM CC[C@@H](OC(=O)c1ccc(S(N)(=O)=O)cc1N)C(=O)[O-] ZINC001595351746 1017085178 /nfs/dbraw/zinc/08/51/78/1017085178.db2.gz KUAMYNIFBLOJEZ-SECBINFHSA-N -1 0 302.308 -0.064 20 0 DBADRM CCC[C@@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)S(N)(=O)=O ZINC001595532129 1017089375 /nfs/dbraw/zinc/08/93/75/1017089375.db2.gz FGHCSXUJJSBYLW-IUCAKERBSA-N -1 0 308.356 -0.854 20 0 DBADRM CC[C@H]1C(=O)N(CC)CCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC001595402141 1017085984 /nfs/dbraw/zinc/08/59/84/1017085984.db2.gz VGDHOCVIIQQIMO-JTQLQIEISA-N -1 0 321.399 -0.420 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)C1 ZINC001595393816 1017086634 /nfs/dbraw/zinc/08/66/34/1017086634.db2.gz XONYPHWHCLVIMO-NHYWBVRUSA-N -1 0 312.366 -0.023 20 0 DBADRM CC[C@@H](C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1)N1CCO[C@H](CC)C1 ZINC001595484524 1017086854 /nfs/dbraw/zinc/08/68/54/1017086854.db2.gz RTXNZBDAIPNDFL-FJJYHAOUSA-N -1 0 314.382 -0.030 20 0 DBADRM CC[C@@H]1C(=O)N(CC)CCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC001595402142 1017086903 /nfs/dbraw/zinc/08/69/03/1017086903.db2.gz VGDHOCVIIQQIMO-SNVBAGLBSA-N -1 0 321.399 -0.420 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2cnn(C)c2)c1[O-] ZINC001477524133 1010104141 /nfs/dbraw/zinc/10/41/41/1010104141.db2.gz ARYFWXNQBQXODL-JTQLQIEISA-N -1 0 318.337 -0.198 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@@H](CC)CO1 ZINC001595471500 1017087855 /nfs/dbraw/zinc/08/78/55/1017087855.db2.gz QMPZMRMJHYPYTH-GUBZILKMSA-N -1 0 304.318 -0.059 20 0 DBADRM Cc1conc1CNC[C@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001449106912 1010255330 /nfs/dbraw/zinc/25/53/30/1010255330.db2.gz DSDGZNQVSHBEJX-JTQLQIEISA-N -1 0 323.353 -0.057 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)COc1cccnc1 ZINC001598489790 1017283129 /nfs/dbraw/zinc/28/31/29/1017283129.db2.gz XRKWOKFDHVKQIF-NEPJUHHUSA-N -1 0 321.333 -0.244 20 0 DBADRM CN(CCNC(=O)CCn1cccn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598489915 1017283236 /nfs/dbraw/zinc/28/32/36/1017283236.db2.gz BKUZIUQPGMMOLD-QWRGUYRKSA-N -1 0 308.338 -0.432 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1nc(N(C)C)no1 ZINC001598490834 1017284163 /nfs/dbraw/zinc/28/41/63/1017284163.db2.gz JSSPCYJWIQNWKS-DTWKUNHWSA-N -1 0 311.342 -0.596 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1nnc2n1CCCC2 ZINC001598491514 1017284223 /nfs/dbraw/zinc/28/42/23/1017284223.db2.gz ORYWMWDCWIKEIU-MNOVXSKESA-N -1 0 321.381 -0.117 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)CN1CCOC[C@H]1CC(=O)[O-] ZINC001598534091 1017296668 /nfs/dbraw/zinc/29/66/68/1017296668.db2.gz MWRGIXCZHQAGGU-GFCCVEGCSA-N -1 0 310.354 -0.446 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1nnnn1C(C)(C)C ZINC001598490406 1017285775 /nfs/dbraw/zinc/28/57/75/1017285775.db2.gz GYMRDPAKHKQZGG-NXEZZACHSA-N -1 0 324.385 -0.303 20 0 DBADRM CN(CCNC(=O)CCc1nnc[nH]1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598490255 1017286061 /nfs/dbraw/zinc/28/60/61/1017286061.db2.gz IZBQFBYSODTZIR-IUCAKERBSA-N -1 0 309.326 -0.967 20 0 DBADRM CN(CCNC(=O)c1cnn2cc[nH]c12)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598493341 1017287464 /nfs/dbraw/zinc/28/74/64/1017287464.db2.gz XYDJYDDWLFQTBX-BDAKNGLRSA-N -1 0 319.321 -0.429 20 0 DBADRM CN(CCNC(=O)c1ccnnc1)c1ccnc(C(=O)[O-])n1 ZINC001598492816 1017288260 /nfs/dbraw/zinc/28/82/60/1017288260.db2.gz LGEQHDPTSNETCZ-UHFFFAOYSA-N -1 0 302.294 -0.169 20 0 DBADRM CN(CCNC(=O)c1cn(C)ccc1=O)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598493298 1017288735 /nfs/dbraw/zinc/28/87/35/1017288735.db2.gz VWCUUXZRWLEMDS-UWVGGRQHSA-N -1 0 321.333 -0.706 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@H](S(C)(=O)=O)CC1 ZINC001479464327 1010290045 /nfs/dbraw/zinc/29/00/45/1010290045.db2.gz WWWLSCGGMHWTPM-VIFPVBQESA-N -1 0 307.372 -0.727 20 0 DBADRM C[N@H+](CCNS(=O)(=O)c1cc([O-])cc(F)c1)CC(=O)[O-] ZINC001598494237 1017288964 /nfs/dbraw/zinc/28/89/64/1017288964.db2.gz PZTGFKKCMMNLSR-UHFFFAOYSA-N -1 0 306.315 -0.174 20 0 DBADRM CN(CCO)C(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001598496513 1017290244 /nfs/dbraw/zinc/29/02/44/1017290244.db2.gz OHWWIOCJGNKNNJ-UHFFFAOYSA-N -1 0 315.351 -0.106 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)COCC(F)F ZINC001598495409 1017290791 /nfs/dbraw/zinc/29/07/91/1017290791.db2.gz GQYOBWZWGZUBOO-UHFFFAOYSA-N -1 0 318.280 -0.251 20 0 DBADRM CN(CCNc1nccn2nnnc12)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598496211 1017290799 /nfs/dbraw/zinc/29/07/99/1017290799.db2.gz ZLTGYOVZMFEMFW-HTQZYQBOSA-N -1 0 305.298 -0.890 20 0 DBADRM CN(CCNCc1nnc(C2CC2)[nH]1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598495533 1017291196 /nfs/dbraw/zinc/29/11/96/1017291196.db2.gz MROXIONFMAHWMZ-UWVGGRQHSA-N -1 0 307.354 -0.049 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001598496038 1017291608 /nfs/dbraw/zinc/29/16/08/1017291608.db2.gz UVHDPEXHTHDWEE-BDAKNGLRSA-N -1 0 307.310 -0.834 20 0 DBADRM CN(CCOCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1ccc[nH]1 ZINC001598498441 1017292843 /nfs/dbraw/zinc/29/28/43/1017292843.db2.gz XNHQNTZBLODAFF-WDEREUQCSA-N -1 0 323.349 -0.060 20 0 DBADRM CN(CCOCCO)C(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001598497643 1017293179 /nfs/dbraw/zinc/29/31/79/1017293179.db2.gz AWIRPDGAVVALPU-UHFFFAOYSA-N -1 0 324.333 -0.281 20 0 DBADRM CN(CCOCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1cc[nH]c1 ZINC001598497868 1017293458 /nfs/dbraw/zinc/29/34/58/1017293458.db2.gz NTABPZXLTWPFAB-NEPJUHHUSA-N -1 0 323.349 -0.060 20 0 DBADRM CN(CCn1cnnc1)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598503378 1017294048 /nfs/dbraw/zinc/29/40/48/1017294048.db2.gz HPZAKQFQWQLFOQ-SNVBAGLBSA-N -1 0 309.326 -0.940 20 0 DBADRM CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001598542737 1017294950 /nfs/dbraw/zinc/29/49/50/1017294950.db2.gz AKKYLMPHKFCNEH-DTORHVGOSA-N -1 0 304.368 -0.233 20 0 DBADRM CN(Cc1nnc2n1CCC2)[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001598539499 1017295637 /nfs/dbraw/zinc/29/56/37/1017295637.db2.gz NNVUUHQSZDHVGR-JTQLQIEISA-N -1 0 307.354 -0.268 20 0 DBADRM CN(Cc1cn(C)nn1)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001598533789 1017296375 /nfs/dbraw/zinc/29/63/75/1017296375.db2.gz SHSGXHPSIZPYIS-UHFFFAOYSA-N -1 0 311.323 -0.271 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)co1 ZINC001449183357 1010346457 /nfs/dbraw/zinc/34/64/57/1010346457.db2.gz BOYTVAAGRMRTEL-NSHDSACASA-N -1 0 323.353 -0.023 20 0 DBADRM CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001449191345 1010358127 /nfs/dbraw/zinc/35/81/27/1010358127.db2.gz GXUKXALGMKGWCG-UWVGGRQHSA-N -1 0 315.374 -0.814 20 0 DBADRM CN(CCF)C[C@@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001479738905 1010359475 /nfs/dbraw/zinc/35/94/75/1010359475.db2.gz MLHRTYJUVMNKIK-JTQLQIEISA-N -1 0 315.349 -0.028 20 0 DBADRM CN(CCCNC(=O)c1cccc(=O)[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001479764318 1010366538 /nfs/dbraw/zinc/36/65/38/1010366538.db2.gz SDGNNQFYZHAXKU-UHFFFAOYSA-N -1 0 306.326 -0.137 20 0 DBADRM CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)Cn1cncn1 ZINC001449272676 1010418129 /nfs/dbraw/zinc/41/81/29/1010418129.db2.gz NFSPKEIIHAGZGE-UHFFFAOYSA-N -1 0 322.373 -0.529 20 0 DBADRM C[C@@H](C(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1CC1 ZINC001479928810 1010452733 /nfs/dbraw/zinc/45/27/33/1010452733.db2.gz NQNAWXFXYLREDX-LLVKDONJSA-N -1 0 322.413 -0.210 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)c1cc[nH]c1 ZINC001449479949 1010487035 /nfs/dbraw/zinc/48/70/35/1010487035.db2.gz XJADNEGHYAOXET-UHFFFAOYSA-N -1 0 322.325 -0.704 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001449492822 1010492964 /nfs/dbraw/zinc/49/29/64/1010492964.db2.gz DYKGYVHPEZJJHD-UHFFFAOYSA-N -1 0 306.369 -0.752 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)NC(=O)C(C)(F)F ZINC001449560831 1010509526 /nfs/dbraw/zinc/50/95/26/1010509526.db2.gz OYYNFSBOTLDMNF-WHFBIAKZSA-N -1 0 319.268 -0.439 20 0 DBADRM CCCC(=O)NCCN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001595529310 1017089876 /nfs/dbraw/zinc/08/98/76/1017089876.db2.gz LCOVKRJSHXBPFO-NWDGAFQWSA-N -1 0 311.382 -0.232 20 0 DBADRM CCC[C@@H](C(=O)N[C@@]1(CC(=O)[O-])CCCOC1)S(N)(=O)=O ZINC001595535470 1017090046 /nfs/dbraw/zinc/09/00/46/1017090046.db2.gz CVVHNQKLWJTDET-JOYOIKCWSA-N -1 0 322.383 -0.416 20 0 DBADRM CC[C@@H]1COCCN1C(=O)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001595500015 1017090321 /nfs/dbraw/zinc/09/03/21/1017090321.db2.gz HGHRAARNDVSFSI-AXFHLTTASA-N -1 0 314.338 -0.770 20 0 DBADRM CCC[C@@H](C(=O)N1CCSC[C@H]1CC(=O)[O-])S(N)(=O)=O ZINC001595532113 1017090476 /nfs/dbraw/zinc/09/04/76/1017090476.db2.gz DMKFWMHETAOVCS-BDAKNGLRSA-N -1 0 324.424 -0.138 20 0 DBADRM CCCC(=O)NCCN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001595529311 1017090670 /nfs/dbraw/zinc/09/06/70/1017090670.db2.gz LCOVKRJSHXBPFO-RYUDHWBXSA-N -1 0 311.382 -0.232 20 0 DBADRM CCC[C@@H](C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])S(N)(=O)=O ZINC001595532447 1017090789 /nfs/dbraw/zinc/09/07/89/1017090789.db2.gz JUHWZJXPCZGEOC-UWVGGRQHSA-N -1 0 324.399 -0.220 20 0 DBADRM CCC[C@@H](C)N1C[C@H](C(=O)NCC[C@H](O)C(=O)[O-])CC1=O ZINC001595578357 1017091387 /nfs/dbraw/zinc/09/13/87/1017091387.db2.gz KIHGDIJDKGWVEQ-MXWKQRLJSA-N -1 0 300.355 -0.025 20 0 DBADRM CCC[C@H](C)N1C[C@@H](C(=O)NC[C@H](O)CC(=O)[O-])CC1=O ZINC001595578840 1017092159 /nfs/dbraw/zinc/09/21/59/1017092159.db2.gz OTMJPBDSRQEKQE-GARJFASQSA-N -1 0 300.355 -0.025 20 0 DBADRM CCC[C@@H](C(=O)N[C@H](CC(F)F)C(=O)[O-])S(N)(=O)=O ZINC001595535981 1017092389 /nfs/dbraw/zinc/09/23/89/1017092389.db2.gz KNJORPICKPMBOK-RITPCOANSA-N -1 0 302.299 -0.332 20 0 DBADRM CCC[C@H](O)[C@@H](CO)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001595609414 1017092647 /nfs/dbraw/zinc/09/26/47/1017092647.db2.gz VZZXGDPERVZRLJ-BDAKNGLRSA-N -1 0 316.310 -0.473 20 0 DBADRM CCC[C@@H](C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)S(N)(=O)=O ZINC001595536529 1017092729 /nfs/dbraw/zinc/09/27/29/1017092729.db2.gz AFIMZXGRMIXBRK-ARHDFHRDSA-N -1 0 304.368 -0.187 20 0 DBADRM COC[C@@]1(CO)CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001449747373 1010556633 /nfs/dbraw/zinc/55/66/33/1010556633.db2.gz NERBBYIJLJPVPZ-AWEZNQCLSA-N -1 0 306.322 -0.506 20 0 DBADRM CCC[C@H](OC)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001595610373 1017093199 /nfs/dbraw/zinc/09/31/99/1017093199.db2.gz BMGUNGDTCMVEPB-UWVGGRQHSA-N -1 0 307.368 -0.098 20 0 DBADRM CCC[C@H](C)N1C[C@@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1=O ZINC001595579955 1017093386 /nfs/dbraw/zinc/09/33/86/1017093386.db2.gz YRBXEKHLWARXFW-WYFGTUCQSA-N -1 0 300.355 -0.026 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001595637466 1017093963 /nfs/dbraw/zinc/09/39/63/1017093963.db2.gz HZXGOZJOGPWBPD-KXUCPTDWSA-N -1 0 301.343 -0.086 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001595638895 1017094932 /nfs/dbraw/zinc/09/49/32/1017094932.db2.gz ISHAPLKCDLREOP-NXEZZACHSA-N -1 0 311.342 -0.251 20 0 DBADRM CCCC[C@@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001595635856 1017095070 /nfs/dbraw/zinc/09/50/70/1017095070.db2.gz NTWYRPQCJZCJKX-SECBINFHSA-N -1 0 318.355 -0.710 20 0 DBADRM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001595620025 1017095460 /nfs/dbraw/zinc/09/54/60/1017095460.db2.gz UVMZBEDDIARLMA-MRVPVSSYSA-N -1 0 316.339 -0.603 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001595638897 1017096026 /nfs/dbraw/zinc/09/60/26/1017096026.db2.gz ISHAPLKCDLREOP-VHSXEESVSA-N -1 0 311.342 -0.251 20 0 DBADRM CCCCCN(CCO)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001595715745 1017097289 /nfs/dbraw/zinc/09/72/89/1017097289.db2.gz BLESCTIDEVBMDQ-LLVKDONJSA-N -1 0 316.354 -0.691 20 0 DBADRM CCCCNC(=O)CCN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001595754394 1017097465 /nfs/dbraw/zinc/09/74/65/1017097465.db2.gz OSRBMUGUWFSGOZ-LLVKDONJSA-N -1 0 320.411 -0.134 20 0 DBADRM CCCCN(CC)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001595742990 1017098492 /nfs/dbraw/zinc/09/84/92/1017098492.db2.gz SZBIJWNGOLSCJO-WDEREUQCSA-N -1 0 300.355 -0.071 20 0 DBADRM O=C(Cc1ncc[nH]1)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001480264200 1010596654 /nfs/dbraw/zinc/59/66/54/1010596654.db2.gz BDDSGOZSRFKYHD-JTQLQIEISA-N -1 0 319.369 -0.196 20 0 DBADRM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001595786886 1017099961 /nfs/dbraw/zinc/09/99/61/1017099961.db2.gz AKFSJTHPJWXTER-UWVGGRQHSA-N -1 0 322.383 -0.858 20 0 DBADRM CCCCOCCNC(=O)CN1CCC(O)(C(=O)[O-])CC1 ZINC001595771913 1017099104 /nfs/dbraw/zinc/09/91/04/1017099104.db2.gz PJHAUFCPYXLFIN-UHFFFAOYSA-N -1 0 302.371 -0.169 20 0 DBADRM CN1C(=O)CN(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)C1=O ZINC001598551140 1017298009 /nfs/dbraw/zinc/29/80/09/1017298009.db2.gz MMDKIQNUQJNTPN-UHFFFAOYSA-N -1 0 322.325 -0.535 20 0 DBADRM CN1C(=O)C[C@H](NS(=O)(=O)C2CCC(C(=O)[O-])CC2)C1=O ZINC001598549523 1017298242 /nfs/dbraw/zinc/29/82/42/1017298242.db2.gz RCQPKAQRPDUPHR-HACHORDNSA-N -1 0 318.351 -0.694 20 0 DBADRM CN(c1ccnc(C(=O)[O-])n1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001598547039 1017298330 /nfs/dbraw/zinc/29/83/30/1017298330.db2.gz STUAUKFKCONJAA-QMMMGPOBSA-N -1 0 307.310 -0.913 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2CCC[C@](C)(C(=O)[O-])C2)C1=O ZINC001598545970 1017298464 /nfs/dbraw/zinc/29/84/64/1017298464.db2.gz SVUFADGMSYJZRY-ZDUSSCGKSA-N -1 0 311.294 -0.880 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001598550576 1017298623 /nfs/dbraw/zinc/29/86/23/1017298623.db2.gz MZNOPJNFWLFOAO-VIFPVBQESA-N -1 0 307.310 -0.676 20 0 DBADRM CN1C(=O)CN(CC(=O)OCC(=O)c2cc(C(=O)[O-])co2)C1=O ZINC001598551132 1017299358 /nfs/dbraw/zinc/29/93/58/1017299358.db2.gz MJMAYKWKFAEAKU-UHFFFAOYSA-N -1 0 324.245 -0.402 20 0 DBADRM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])C1=O ZINC001598555407 1017300446 /nfs/dbraw/zinc/30/04/46/1017300446.db2.gz LVURPRGFPDHXLM-SPTRTOBYSA-N -1 0 323.349 -0.066 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)c3c[nH]c(C(=O)[O-])c3)CC2)C1=O ZINC001598555724 1017300967 /nfs/dbraw/zinc/30/09/67/1017300967.db2.gz SSQSWQJICULFER-UHFFFAOYSA-N -1 0 320.305 -0.131 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001598554277 1017301091 /nfs/dbraw/zinc/30/10/91/1017301091.db2.gz XIFPELOEBBMQRW-BCMYLCSRSA-N -1 0 314.363 -0.283 20 0 DBADRM CN1C(=O)CO[C@@H](C(=O)NCCC(=O)[O-])[C@@H]1c1cccnc1 ZINC001598551798 1017301183 /nfs/dbraw/zinc/30/11/83/1017301183.db2.gz AGLCNJFJYOXHMH-QWHCGFSZSA-N -1 0 307.306 -0.429 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001598552712 1017301241 /nfs/dbraw/zinc/30/12/41/1017301241.db2.gz AOHQYQXCIOQQJB-UASDCXGESA-N -1 0 300.336 -0.265 20 0 DBADRM CN1C[C@H](C(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])CC1=O ZINC001598559401 1017302744 /nfs/dbraw/zinc/30/27/44/1017302744.db2.gz JAMRSZAEOTZOLM-VXGBXAGGSA-N -1 0 305.334 -0.081 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)CCC(=O)OC(C)(C)C)CC1=O ZINC001598561213 1017303031 /nfs/dbraw/zinc/30/30/31/1017303031.db2.gz AYGNHDCBJFZJAF-VIFPVBQESA-N -1 0 314.338 -0.138 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc3oc(=O)[nH]c3c2)CC1=O ZINC001598561459 1017303456 /nfs/dbraw/zinc/30/34/56/1017303456.db2.gz AVTJCAYSAAXFJU-SECBINFHSA-N -1 0 319.273 -0.099 20 0 DBADRM CN1C[C@H](NS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1=O ZINC001598567397 1017310058 /nfs/dbraw/zinc/31/00/58/1017310058.db2.gz FDDQFSMCQBLNPP-BBBLOLIVSA-N -1 0 304.368 -0.220 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@H]2CCC(=O)c3cccn32)CC1=O ZINC001598563469 1017308367 /nfs/dbraw/zinc/30/83/67/1017308367.db2.gz RHQAUOSALLBLIK-GHMZBOCLSA-N -1 0 319.317 -0.241 20 0 DBADRM CN1C[C@H](CCNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1=O ZINC001598566592 1017309308 /nfs/dbraw/zinc/30/93/08/1017309308.db2.gz XZYHUQRUWVLNEV-MXWKQRLJSA-N -1 0 313.354 -0.668 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)COCC3CC3)C2)c1[O-] ZINC001450323708 1010693890 /nfs/dbraw/zinc/69/38/90/1010693890.db2.gz NBNYHMPMWXKYDA-UHFFFAOYSA-N -1 0 308.338 -0.209 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001450391739 1010718333 /nfs/dbraw/zinc/71/83/33/1010718333.db2.gz BMHORZJOQKSZEX-ZETCQYMHSA-N -1 0 316.339 -0.820 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCc1cc2n(n1)CCCO2 ZINC001450592348 1010765486 /nfs/dbraw/zinc/76/54/86/1010765486.db2.gz HMYYWGLHYQWPKP-UHFFFAOYSA-N -1 0 322.325 -0.235 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C(=O)O1 ZINC001450605490 1010770168 /nfs/dbraw/zinc/77/01/68/1010770168.db2.gz YHKOOINUNMAZBQ-GMSGAONNSA-N -1 0 318.289 -0.300 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1CC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001450908343 1010816325 /nfs/dbraw/zinc/81/63/25/1010816325.db2.gz RAAVHNSQWDYRRO-HTQZYQBOSA-N -1 0 323.353 -0.047 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@]12CCOC2)Cc1n[nH]c(=O)[n-]1 ZINC001481011375 1010826911 /nfs/dbraw/zinc/82/69/11/1010826911.db2.gz YTSIHYBPEFQHCS-IINYFYTJSA-N -1 0 309.370 -0.125 20 0 DBADRM O=C(CNC(=O)C1CC1)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001481029067 1010829925 /nfs/dbraw/zinc/82/99/25/1010829925.db2.gz SLRVCAVUFULCPU-SNVBAGLBSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@@H](C(=O)N(C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001451004301 1010835262 /nfs/dbraw/zinc/83/52/62/1010835262.db2.gz VVWBTASLCUZIRW-JGVFFNPUSA-N -1 0 323.353 -0.094 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H](C)C1CC1 ZINC001451043606 1010842572 /nfs/dbraw/zinc/84/25/72/1010842572.db2.gz SGHPLPLWLGWEOT-VXNVDRBHSA-N -1 0 323.353 -0.047 20 0 DBADRM CCCN(CCNC(=O)c1c[nH]c(=O)n1C)Cc1n[nH]c(=O)[n-]1 ZINC001481143651 1010845328 /nfs/dbraw/zinc/84/53/28/1010845328.db2.gz JFPARAZMVYGFAW-UHFFFAOYSA-N -1 0 323.357 -0.409 20 0 DBADRM CCCN(CCF)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001481150937 1010845845 /nfs/dbraw/zinc/84/58/45/1010845845.db2.gz OQRZCTHHNZMGFO-UHFFFAOYSA-N -1 0 324.360 -0.131 20 0 DBADRM O=C(CCn1cncn1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001481159781 1010849844 /nfs/dbraw/zinc/84/98/44/1010849844.db2.gz VABCTHIKIRBPQP-UHFFFAOYSA-N -1 0 320.357 -0.727 20 0 DBADRM C[C@@]1(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)CCC(=O)N1 ZINC001481185282 1010856205 /nfs/dbraw/zinc/85/62/05/1010856205.db2.gz YNWGNZBCHIJDIE-AWEZNQCLSA-N -1 0 322.369 -0.740 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)N1C[C@H](O)[C@@H](CO)C1 ZINC001451189810 1010865518 /nfs/dbraw/zinc/86/55/18/1010865518.db2.gz SIIKHCZSZMEPCT-RITPCOANSA-N -1 0 307.422 -0.270 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC001451194935 1010865963 /nfs/dbraw/zinc/86/59/63/1010865963.db2.gz XJKCGZZSEPKDMO-CABZTGNLSA-N -1 0 314.363 -0.517 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC001451194943 1010866196 /nfs/dbraw/zinc/86/61/96/1010866196.db2.gz XJKCGZZSEPKDMO-SKDRFNHKSA-N -1 0 314.363 -0.517 20 0 DBADRM Cc1c(CC(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001481629023 1010941436 /nfs/dbraw/zinc/94/14/36/1010941436.db2.gz UOXYXQOWYBYDGH-UHFFFAOYSA-N -1 0 319.369 -0.657 20 0 DBADRM Cn1ccc(CCC(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001481627697 1010942456 /nfs/dbraw/zinc/94/24/56/1010942456.db2.gz WXNKEVMMWNHMSC-UHFFFAOYSA-N -1 0 319.369 -0.575 20 0 DBADRM CC(C)NC(=O)[C@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001451448986 1010953854 /nfs/dbraw/zinc/95/38/54/1010953854.db2.gz BGGCEDALAGMLAB-VIFPVBQESA-N -1 0 317.353 -0.282 20 0 DBADRM CCC(=O)NC[C@@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001451453470 1010956398 /nfs/dbraw/zinc/95/63/98/1010956398.db2.gz DXFFHQHOVGHVCD-SECBINFHSA-N -1 0 320.353 -0.650 20 0 DBADRM CNC(=O)CCCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481697004 1010969138 /nfs/dbraw/zinc/96/91/38/1010969138.db2.gz RMRIAFLLHQAZOE-JTQLQIEISA-N -1 0 324.385 -0.493 20 0 DBADRM C[C@@H](CNC(=O)CC1CCC1)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001451540302 1010987869 /nfs/dbraw/zinc/98/78/69/1010987869.db2.gz OFGXAPKAOOXJGJ-QMMMGPOBSA-N -1 0 323.353 -0.045 20 0 DBADRM CN(C(=O)CCCC(N)=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481754084 1010990772 /nfs/dbraw/zinc/99/07/72/1010990772.db2.gz IBTDHHDVWZEXKV-SECBINFHSA-N -1 0 310.358 -0.801 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NCc1cn(C)nn1 ZINC001481805354 1011002412 /nfs/dbraw/zinc/00/24/12/1011002412.db2.gz KXZCLUYOWIESLK-VIFPVBQESA-N -1 0 307.358 -0.150 20 0 DBADRM CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001451661749 1011021297 /nfs/dbraw/zinc/02/12/97/1011021297.db2.gz BQLVMOYRTRJGBE-PSASIEDQSA-N -1 0 311.342 -0.405 20 0 DBADRM CCC(=O)N[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CC(C)C ZINC001451706299 1011027292 /nfs/dbraw/zinc/02/72/92/1011027292.db2.gz AJUQHURCHJLDSY-MRVPVSSYSA-N -1 0 311.342 -0.047 20 0 DBADRM CCOCC(=O)N(C)C[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001451792687 1011039169 /nfs/dbraw/zinc/03/91/69/1011039169.db2.gz STQWATRFGNSOLE-SECBINFHSA-N -1 0 314.342 -0.991 20 0 DBADRM CC(C)[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(F)F ZINC001452004595 1011095599 /nfs/dbraw/zinc/09/55/99/1011095599.db2.gz PMVHWBVYEBQEPU-YFKPBYRVSA-N -1 0 319.268 -0.582 20 0 DBADRM CC[C@@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)OC ZINC001452280188 1011155381 /nfs/dbraw/zinc/15/53/81/1011155381.db2.gz ZRXXNDLHLJXGIP-QMMMGPOBSA-N -1 0 300.315 -0.215 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)C2=COCCC2)c1[O-] ZINC001452297164 1011172848 /nfs/dbraw/zinc/17/28/48/1011172848.db2.gz FLHCCOUOKOFTBO-JTQLQIEISA-N -1 0 324.337 -0.675 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)CC(C)(F)F)c1[O-] ZINC001452310223 1011183690 /nfs/dbraw/zinc/18/36/90/1011183690.db2.gz MESPXBXKZMNSQD-ZETCQYMHSA-N -1 0 320.296 -0.324 20 0 DBADRM CN(CCN(C)C(=O)c1ccc(=O)[nH]n1)Cc1n[nH]c(=O)[n-]1 ZINC001482577512 1011186568 /nfs/dbraw/zinc/18/65/68/1011186568.db2.gz QHIWTBZORZRAMT-UHFFFAOYSA-N -1 0 307.314 -0.790 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC23CCC3)c1[O-] ZINC001452319552 1011195048 /nfs/dbraw/zinc/19/50/48/1011195048.db2.gz ZPISFSVQBNTOCZ-VHSXEESVSA-N -1 0 322.365 -0.179 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC23CCC3)c1[O-] ZINC001452319528 1011195103 /nfs/dbraw/zinc/19/51/03/1011195103.db2.gz ZPISFSVQBNTOCZ-NXEZZACHSA-N -1 0 322.365 -0.179 20 0 DBADRM CN(CCN(C)C(=O)[C@]1(C)CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001482626068 1011236017 /nfs/dbraw/zinc/23/60/17/1011236017.db2.gz ONRKMIKNRRYOBV-ZDUSSCGKSA-N -1 0 310.358 -0.931 20 0 DBADRM COC(=O)CC[C@@H]1CC[C@H](C(=O)N(C)Cc2nc(=O)o[n-]2)O1 ZINC001452389926 1011241285 /nfs/dbraw/zinc/24/12/85/1011241285.db2.gz PKGMYJQLNVERBJ-DTWKUNHWSA-N -1 0 313.310 -0.178 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1[C@H](CO)CC[C@H]1CO ZINC001452461736 1011272731 /nfs/dbraw/zinc/27/27/31/1011272731.db2.gz NYNQANSGFJZVSA-IUCAKERBSA-N -1 0 320.305 -0.606 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCCOc1ncccn1 ZINC001452556998 1011300432 /nfs/dbraw/zinc/30/04/32/1011300432.db2.gz VDEZZKAPLKGCOF-UHFFFAOYSA-N -1 0 310.339 -0.022 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNCc2nccc(C)n2)c1[O-] ZINC001482723609 1011328241 /nfs/dbraw/zinc/32/82/41/1011328241.db2.gz WANNCDVVTAFCLA-SNVBAGLBSA-N -1 0 320.353 -0.597 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNCc2nccc(C)n2)c1[O-] ZINC001482723608 1011329541 /nfs/dbraw/zinc/32/95/41/1011329541.db2.gz WANNCDVVTAFCLA-JTQLQIEISA-N -1 0 320.353 -0.597 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)c1ccon1 ZINC001452747973 1011378723 /nfs/dbraw/zinc/37/87/23/1011378723.db2.gz AAXIRQHYLZPHIU-ZETCQYMHSA-N -1 0 321.293 -0.978 20 0 DBADRM CN1C[C@H](CCNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1=O ZINC001598566596 1017310516 /nfs/dbraw/zinc/31/05/16/1017310516.db2.gz XZYHUQRUWVLNEV-VWYCJHECSA-N -1 0 313.354 -0.668 20 0 DBADRM CN1C[C@H](OC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)C[C@H]1C(=O)[O-] ZINC001598568980 1017310880 /nfs/dbraw/zinc/31/08/80/1017310880.db2.gz GIQSZMQUENLEFU-FGLXMSFASA-N -1 0 311.334 -0.071 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cccc(F)c2)CC1=O ZINC001598565794 1017311344 /nfs/dbraw/zinc/31/13/44/1017311344.db2.gz JIGPCBQWFHFPKH-JTQLQIEISA-N -1 0 316.310 -0.258 20 0 DBADRM CN1C[C@@H](OC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CCC1=O ZINC001598571182 1017313827 /nfs/dbraw/zinc/31/38/27/1017313827.db2.gz BCXIDKWQQNQBJW-UWVGGRQHSA-N -1 0 312.322 -0.526 20 0 DBADRM C[N@@H+]1C[C@@H]2CC[C@@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])no3)[C@H]2C1 ZINC001598575926 1017314400 /nfs/dbraw/zinc/31/44/00/1017314400.db2.gz SDPKKCKIQQBXTQ-XHNCKOQMSA-N -1 0 315.351 -0.009 20 0 DBADRM CN1CC2(CN(C(=O)Nc3ccc(C(=O)[O-])nn3)C2)OC1=O ZINC001598572128 1017315166 /nfs/dbraw/zinc/31/51/66/1017315166.db2.gz HFUVCIMLMFOHNU-UHFFFAOYSA-N -1 0 307.266 -0.157 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1 ZINC001452826546 1011426598 /nfs/dbraw/zinc/42/65/98/1011426598.db2.gz OZSSSGCXQSASGQ-LLVKDONJSA-N -1 0 309.326 -0.595 20 0 DBADRM CN1CC[C@@H](C(=O)OCc2cccc(C(=O)[O-])n2)S1(=O)=O ZINC001598577258 1017315357 /nfs/dbraw/zinc/31/53/57/1017315357.db2.gz BYGXXZVLMRSMCZ-JTQLQIEISA-N -1 0 314.319 -0.143 20 0 DBADRM CN1CC[C@](C)(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001598577707 1017316664 /nfs/dbraw/zinc/31/66/64/1017316664.db2.gz JHECGNKKSXWCJA-XPTSAGLGSA-N -1 0 321.337 -0.382 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCSC[C@@H]2C(=O)[O-])S1(=O)=O ZINC001598580557 1017317999 /nfs/dbraw/zinc/31/79/99/1017317999.db2.gz LTWKHUPYIJEGHJ-SFYZADRCSA-N -1 0 308.381 -0.951 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CC1=O ZINC001598581489 1017318947 /nfs/dbraw/zinc/31/89/47/1017318947.db2.gz VJTFSNZGAOXFBI-UWVGGRQHSA-N -1 0 314.338 -0.423 20 0 DBADRM CN(C(=O)C(=O)Nc1cccc(C(=O)[O-])n1)[C@H]1CCN(C)C1=O ZINC001598583846 1017321073 /nfs/dbraw/zinc/32/10/73/1017321073.db2.gz NSRWKHKLFKHOIZ-VIFPVBQESA-N -1 0 320.305 -0.593 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)c2cn[nH]n2)CCN1C(=O)CNC(C)=O ZINC001453082696 1011502718 /nfs/dbraw/zinc/50/27/18/1011502718.db2.gz NXMQFFKZHRXRNM-GXSJLCMTSA-N -1 0 308.342 -0.950 20 0 DBADRM CCn1ncc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)n1 ZINC001483003296 1011591167 /nfs/dbraw/zinc/59/11/67/1011591167.db2.gz GCZQYULIKYHGAR-ARJAWSKDSA-N -1 0 306.330 -0.803 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC=CCNCc1cscn1 ZINC001483086734 1011669159 /nfs/dbraw/zinc/66/91/59/1011669159.db2.gz IMCMJAGMIDQQDT-UPHRSURJSA-N -1 0 324.366 -0.392 20 0 DBADRM COCc1nocc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001483082640 1011669221 /nfs/dbraw/zinc/66/92/21/1011669221.db2.gz TZDSQIUGMKOHPM-NSCUHMNNSA-N -1 0 322.325 -0.280 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001483091752 1011676030 /nfs/dbraw/zinc/67/60/30/1011676030.db2.gz AFRVTWJYRZCCBS-SNAWJCMRSA-N -1 0 324.385 -0.565 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC(c2nnc[nH]2)CC1 ZINC001453787400 1011814171 /nfs/dbraw/zinc/81/41/71/1011814171.db2.gz RERLWRKAXNSMLY-UHFFFAOYSA-N -1 0 321.341 -0.006 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001453855570 1011825863 /nfs/dbraw/zinc/82/58/63/1011825863.db2.gz VRFYMDVLSWRYSA-CQSZACIVSA-N -1 0 323.353 -0.719 20 0 DBADRM CC(C)(CNC(=O)Cn1c(=O)[n-][nH]c1=O)[C@@]1(O)CCCOC1 ZINC001453959225 1011841235 /nfs/dbraw/zinc/84/12/35/1011841235.db2.gz IZNCKIQAGCVWRX-CYBMUJFWSA-N -1 0 314.342 -0.627 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001483374755 1011857939 /nfs/dbraw/zinc/85/79/39/1011857939.db2.gz MQXNHAIVYRTJBE-BDAKNGLRSA-N -1 0 310.358 -0.932 20 0 DBADRM Cc1cc(=O)c(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)c[nH]1 ZINC001483402025 1011866760 /nfs/dbraw/zinc/86/67/60/1011866760.db2.gz OGYWXSHPXPFEHF-VIFPVBQESA-N -1 0 320.353 -0.243 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)C[C@H]1C(N)=O ZINC001454164040 1011880539 /nfs/dbraw/zinc/88/05/39/1011880539.db2.gz MIXJHYNACNEXQC-OCAPTIKFSA-N -1 0 311.725 -0.296 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001454195495 1011884763 /nfs/dbraw/zinc/88/47/63/1011884763.db2.gz DDSSMEIBTIRCGL-HGNGGELXSA-N -1 0 323.353 -0.644 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001454255993 1011892609 /nfs/dbraw/zinc/89/26/09/1011892609.db2.gz RYRFXYCFMNUFSS-PWSUYJOCSA-N -1 0 319.321 -0.281 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)CC(C)(C)O)C2)c1[O-] ZINC001454314379 1011918279 /nfs/dbraw/zinc/91/82/79/1011918279.db2.gz BVECMQKBONJDIR-KYZUINATSA-N -1 0 310.354 -0.038 20 0 DBADRM CCCN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CCN(CC(N)=O)CC1 ZINC001595815189 1017100597 /nfs/dbraw/zinc/10/05/97/1017100597.db2.gz ZWXCPBITYUDAGT-RYUDHWBXSA-N -1 0 311.382 -0.105 20 0 DBADRM CCCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CCN(CC(N)=O)CC1 ZINC001595815187 1017101070 /nfs/dbraw/zinc/10/10/70/1017101070.db2.gz ZWXCPBITYUDAGT-NEPJUHHUSA-N -1 0 311.382 -0.105 20 0 DBADRM CC(=O)N1CCC[C@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001454421155 1011983866 /nfs/dbraw/zinc/98/38/66/1011983866.db2.gz KWUPXZPKFYTKCS-SNVBAGLBSA-N -1 0 323.353 -0.410 20 0 DBADRM O=C(N[C@@H]1COCCC1=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001454442593 1011987490 /nfs/dbraw/zinc/98/74/90/1011987490.db2.gz GBSWUIUERWKLSA-SNVBAGLBSA-N -1 0 318.289 -0.646 20 0 DBADRM COC[C@H](NC(=O)COc1ccc(C=O)cc1)c1nnn[n-]1 ZINC001595889735 1017103650 /nfs/dbraw/zinc/10/36/50/1017103650.db2.gz XGBGBXJPQQIJCB-NSHDSACASA-N -1 0 305.294 -0.105 20 0 DBADRM COC[C@@H](NC(=O)c1cnn2c1cccc2OC)c1nnn[n-]1 ZINC001595888908 1017104071 /nfs/dbraw/zinc/10/40/71/1017104071.db2.gz JMGDUYNLUMZEAA-SECBINFHSA-N -1 0 317.309 -0.027 20 0 DBADRM CCCN(CCC)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001595872395 1017104394 /nfs/dbraw/zinc/10/43/94/1017104394.db2.gz AZJQXQLVQAUXQX-QWRGUYRKSA-N -1 0 300.355 -0.071 20 0 DBADRM COC[C@@H](NC(=O)c1cc(-n2cccn2)ccn1)c1nnn[n-]1 ZINC001595889761 1017104412 /nfs/dbraw/zinc/10/44/12/1017104412.db2.gz XXGLFFKBGZCVEE-LLVKDONJSA-N -1 0 314.309 -0.102 20 0 DBADRM C[C@H](CNC(=O)C1CCCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001454536038 1012025157 /nfs/dbraw/zinc/02/51/57/1012025157.db2.gz HBNWBHWJRNEGSF-SECBINFHSA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@@H](CNC(=O)C1CCCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001454536040 1012025967 /nfs/dbraw/zinc/02/59/67/1012025967.db2.gz HBNWBHWJRNEGSF-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM CCCN1C[C@H](C(=O)O[C@H](CC(=O)OC)C(=O)[O-])CC1=O ZINC001595901545 1017107301 /nfs/dbraw/zinc/10/73/01/1017107301.db2.gz KINMYUKEFWTVLI-RKDXNWHRSA-N -1 0 301.295 -0.196 20 0 DBADRM CCCNC(=O)CCNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001595921835 1017107530 /nfs/dbraw/zinc/10/75/30/1017107530.db2.gz DQZBOQWPNFEDNT-UHFFFAOYSA-N -1 0 309.322 -0.421 20 0 DBADRM CCCN1C[C@@H](C(=O)OCC(=O)NCCC(=O)[O-])CC1=O ZINC001595897329 1017108032 /nfs/dbraw/zinc/10/80/32/1017108032.db2.gz YZCIDHXXCFSNCM-VIFPVBQESA-N -1 0 300.311 -0.621 20 0 DBADRM O=C([C@@H]1CCCn2ncnc21)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454553950 1012034102 /nfs/dbraw/zinc/03/41/02/1012034102.db2.gz NICHNYJNXDPYNL-RKDXNWHRSA-N -1 0 304.314 -0.731 20 0 DBADRM CCCNC(=O)CNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001595921367 1017108491 /nfs/dbraw/zinc/10/84/91/1017108491.db2.gz DVVSEKWYPFUQOC-UHFFFAOYSA-N -1 0 310.310 -0.398 20 0 DBADRM O=C(CCc1ncccn1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001483776261 1012134031 /nfs/dbraw/zinc/13/40/31/1012134031.db2.gz KBKQHAPUHYUZMB-UHFFFAOYSA-N -1 0 317.353 -0.329 20 0 DBADRM Cc1cnn(CCC(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)c1 ZINC001483795610 1012148121 /nfs/dbraw/zinc/14/81/21/1012148121.db2.gz YJLRNVOHFMBRQQ-UHFFFAOYSA-N -1 0 319.369 -0.156 20 0 DBADRM COCCCCN1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001483888161 1012190341 /nfs/dbraw/zinc/19/03/41/1012190341.db2.gz FYFJATCZOSICRN-UHFFFAOYSA-N -1 0 313.358 -0.742 20 0 DBADRM O=C(C[C@H]1CCCS1(=O)=O)N1CCC(c2nnn[n-]2)CC1 ZINC001455022255 1012191159 /nfs/dbraw/zinc/19/11/59/1012191159.db2.gz PCLMVEHDCZDQSW-SNVBAGLBSA-N -1 0 313.383 -0.127 20 0 DBADRM CS(=O)(=O)NCc1ccccc1NC(=O)CCc1nnn[n-]1 ZINC001455032717 1012195564 /nfs/dbraw/zinc/19/55/64/1012195564.db2.gz HSFNACIJPWVEOR-UHFFFAOYSA-N -1 0 324.366 -0.180 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001455149323 1012238287 /nfs/dbraw/zinc/23/82/87/1012238287.db2.gz SDEWSMZMVZUPJF-DTWKUNHWSA-N -1 0 308.338 -0.670 20 0 DBADRM COCCOCC(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484037618 1012258082 /nfs/dbraw/zinc/25/80/82/1012258082.db2.gz MUDDZJRKQZQXER-CYBMUJFWSA-N -1 0 313.358 -0.746 20 0 DBADRM C[C@@]1(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CCN(CCF)C1 ZINC001484051574 1012278293 /nfs/dbraw/zinc/27/82/93/1012278293.db2.gz UWMFZIDJGALMCA-CYBMUJFWSA-N -1 0 313.333 -0.235 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC001455217626 1012284607 /nfs/dbraw/zinc/28/46/07/1012284607.db2.gz WZRRANJAUURJSH-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)COCC(F)F)c1[O-] ZINC001455367000 1012363514 /nfs/dbraw/zinc/36/35/14/1012363514.db2.gz XIZKBWWOWAAMCI-UHFFFAOYSA-N -1 0 320.296 -0.106 20 0 DBADRM C[C@H](Cc1cn(C)nn1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001455389188 1012374373 /nfs/dbraw/zinc/37/43/73/1012374373.db2.gz KKJZCOSINWXIPO-MRVPVSSYSA-N -1 0 309.330 -0.655 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001455398774 1012381772 /nfs/dbraw/zinc/38/17/72/1012381772.db2.gz IIVYZQRGCICBMT-UHFFFAOYSA-N -1 0 300.296 -0.711 20 0 DBADRM CCN(CCNC(=O)CC(C)C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001455500895 1012423987 /nfs/dbraw/zinc/42/39/87/1012423987.db2.gz DXYBKGLHFBLGGF-UHFFFAOYSA-N -1 0 311.342 -0.093 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)Nc2ccn(CC(N)=O)n2)cc1=O ZINC001455573190 1012448864 /nfs/dbraw/zinc/44/88/64/1012448864.db2.gz XVBBLDDWGAQLBB-UHFFFAOYSA-N -1 0 320.353 -0.305 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N[C@@H](COC)c1nnn[n-]1)C(C)=O ZINC001455729521 1012492065 /nfs/dbraw/zinc/49/20/65/1012492065.db2.gz MLBZZUBSTOSBHI-BDAKNGLRSA-N -1 0 313.314 -0.838 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3csnn3)C2)c1[O-] ZINC001484267505 1012493755 /nfs/dbraw/zinc/49/37/55/1012493755.db2.gz IECMMSUZZHTIQK-UHFFFAOYSA-N -1 0 324.366 -0.748 20 0 DBADRM COC[C@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)c1nnn[n-]1 ZINC001455730969 1012497544 /nfs/dbraw/zinc/49/75/44/1012497544.db2.gz TZWWOSRTPRDTOF-UPBARMNASA-N -1 0 309.326 -0.755 20 0 DBADRM CCn1cc(CC(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)nn1 ZINC001455733737 1012497843 /nfs/dbraw/zinc/49/78/43/1012497843.db2.gz DAIDONGMKREZOY-SNVBAGLBSA-N -1 0 304.358 -0.165 20 0 DBADRM O=C(c1ccn2nnnc2c1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001455737919 1012498080 /nfs/dbraw/zinc/49/80/80/1012498080.db2.gz BLSUVBDTGMAIIJ-VIFPVBQESA-N -1 0 313.325 -0.268 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001455742932 1012499351 /nfs/dbraw/zinc/49/93/51/1012499351.db2.gz KYNRTMDSAXNIDV-GARJFASQSA-N -1 0 306.370 -0.105 20 0 DBADRM CCCN(CCNC(=O)CC)C(=O)c1cnc([O-])n(C)c1=O ZINC001455766819 1012511487 /nfs/dbraw/zinc/51/14/87/1012511487.db2.gz ZUJSKFVBMUAFJQ-UHFFFAOYSA-N -1 0 310.354 -0.136 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001456100934 1012563787 /nfs/dbraw/zinc/56/37/87/1012563787.db2.gz HRMDPNLNUXXWQR-SSDOTTSWSA-N -1 0 320.396 -0.362 20 0 DBADRM O=C(CCC1CCC1)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001456238136 1012595049 /nfs/dbraw/zinc/59/50/49/1012595049.db2.gz CJTIELMOSBGOFK-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCc2nnn[n-]2)CO1 ZINC001456674418 1012791302 /nfs/dbraw/zinc/79/13/02/1012791302.db2.gz RZPHWCOEFMDLLW-MRVPVSSYSA-N -1 0 312.330 -0.201 20 0 DBADRM C[C@H](NC(=O)CN1CCCS1(=O)=O)c1nn(C)cc1[O-] ZINC001456786454 1012814855 /nfs/dbraw/zinc/81/48/55/1012814855.db2.gz FJQOQFCSPUYQOY-QMMMGPOBSA-N -1 0 302.356 -0.662 20 0 DBADRM C[C@H](NC(=O)CCC(=O)N1CCOCC1)c1nn(C)cc1[O-] ZINC001456783723 1012814913 /nfs/dbraw/zinc/81/49/13/1012814913.db2.gz GJTIOPKTNGSVJS-JTQLQIEISA-N -1 0 310.354 -0.058 20 0 DBADRM C[C@@H](NC(=O)C1(CS(C)(=O)=O)COC1)c1nn(C)cc1[O-] ZINC001456791610 1012818038 /nfs/dbraw/zinc/81/80/38/1012818038.db2.gz UZLLHGDYNSPLRN-MRVPVSSYSA-N -1 0 317.367 -0.636 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC1CC1 ZINC001456876975 1012827995 /nfs/dbraw/zinc/82/79/95/1012827995.db2.gz FIVKTBFXUNYGCZ-QMMMGPOBSA-N -1 0 309.326 -0.293 20 0 DBADRM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)c2c[n-]ncc2=O)C1 ZINC001456975391 1012841558 /nfs/dbraw/zinc/84/15/58/1012841558.db2.gz ONYSOWPSKFMINB-PSASIEDQSA-N -1 0 310.310 -0.639 20 0 DBADRM CCC(=O)NC[C@H](C)CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001457232287 1012856364 /nfs/dbraw/zinc/85/63/64/1012856364.db2.gz BBJXHPWNQQJYKQ-QMMMGPOBSA-N -1 0 311.342 -0.506 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)C2=COCCO2)c1[O-] ZINC001457242142 1012857065 /nfs/dbraw/zinc/85/70/65/1012857065.db2.gz BRNPCMNGYCKBLA-QMMMGPOBSA-N -1 0 324.337 -0.206 20 0 DBADRM CCCCC(=O)NC[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001457258340 1012860977 /nfs/dbraw/zinc/86/09/77/1012860977.db2.gz MZVXCBRWPOPVAA-VIFPVBQESA-N -1 0 313.358 -0.252 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001457309457 1012870414 /nfs/dbraw/zinc/87/04/14/1012870414.db2.gz BJBSZAWXZJCEDM-SNXWAXQRSA-N -1 0 322.365 -0.202 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])CC1=O ZINC001596401270 1017136814 /nfs/dbraw/zinc/13/68/14/1017136814.db2.gz ALHQZOYOCRYUBH-VHSXEESVSA-N -1 0 304.368 -0.220 20 0 DBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC001595979667 1017109622 /nfs/dbraw/zinc/10/96/22/1017109622.db2.gz BSQKYEKWJQWSFH-UWVGGRQHSA-N -1 0 322.383 -0.858 20 0 DBADRM CCCOCC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001595945337 1017109897 /nfs/dbraw/zinc/10/98/97/1017109897.db2.gz ISTCRRZOHRZSRA-NXEZZACHSA-N -1 0 324.337 -0.733 20 0 DBADRM CCCOC(=O)CCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001595936716 1017111350 /nfs/dbraw/zinc/11/13/50/1017111350.db2.gz MOGFTKLSFOVIPY-SNVBAGLBSA-N -1 0 314.338 -0.231 20 0 DBADRM CCCn1cc(NC(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)cn1 ZINC001596116323 1017112439 /nfs/dbraw/zinc/11/24/39/1017112439.db2.gz CBTJJJOQUSDQMJ-AWEZNQCLSA-N -1 0 324.337 -0.066 20 0 DBADRM CCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)C(N)=O ZINC001596024443 1017112647 /nfs/dbraw/zinc/11/26/47/1017112647.db2.gz KYGCYMLXZXNTTH-QMMMGPOBSA-N -1 0 303.340 -0.344 20 0 DBADRM CCCc1cc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])n(C)n1 ZINC001596056777 1017113562 /nfs/dbraw/zinc/11/35/62/1017113562.db2.gz FKXCJDGRHGLTQH-VIFPVBQESA-N -1 0 312.326 -0.737 20 0 DBADRM CCCn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001596112119 1017113886 /nfs/dbraw/zinc/11/38/86/1017113886.db2.gz ODZDIPDILGWSCW-VXGBXAGGSA-N -1 0 320.349 -0.046 20 0 DBADRM CCCc1nc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])co1 ZINC001596074682 1017113977 /nfs/dbraw/zinc/11/39/77/1017113977.db2.gz IFCDMUSBAGNTJH-SECBINFHSA-N -1 0 316.335 -0.049 20 0 DBADRM CCCn1cc(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cn1 ZINC001596116348 1017114780 /nfs/dbraw/zinc/11/47/80/1017114780.db2.gz CZSIXNZTRHXTDA-MWLCHTKSSA-N -1 0 324.337 -0.068 20 0 DBADRM CCCn1cc(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001596116706 1017114836 /nfs/dbraw/zinc/11/48/36/1017114836.db2.gz NMQSQSNEAJWTDV-GXSJLCMTSA-N -1 0 324.337 -0.474 20 0 DBADRM CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC001596149623 1017115631 /nfs/dbraw/zinc/11/56/31/1017115631.db2.gz ZKFPQAULJTYVLG-GUBZILKMSA-N -1 0 301.343 -0.215 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001596181352 1017116138 /nfs/dbraw/zinc/11/61/38/1017116138.db2.gz QXLSBGIVMZKNCZ-MWLCHTKSSA-N -1 0 315.370 -0.280 20 0 DBADRM CCN(CC(=O)OC)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001596228621 1017119757 /nfs/dbraw/zinc/11/97/57/1017119757.db2.gz PADSBFGSSQDNOQ-UHFFFAOYSA-N -1 0 302.308 -0.037 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001596212911 1017119812 /nfs/dbraw/zinc/11/98/12/1017119812.db2.gz VWIYVLSLVSJPLQ-NEPJUHHUSA-N -1 0 307.306 -0.110 20 0 DBADRM CCOC(=O)[C@@H](CC)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001596526347 1017155564 /nfs/dbraw/zinc/15/55/64/1017155564.db2.gz SRWKQUBAJWOCLG-IUCAKERBSA-N -1 0 300.311 -0.671 20 0 DBADRM CCN(CCC(=O)NC)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001596299890 1017124945 /nfs/dbraw/zinc/12/49/45/1017124945.db2.gz HPIIENGVJMCAJZ-ZJUUUORDSA-N -1 0 313.354 -0.707 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1cnn(C)n1 ZINC001596326657 1017126039 /nfs/dbraw/zinc/12/60/39/1017126039.db2.gz JTZZFXLKNGQUSE-NEPJUHHUSA-N -1 0 309.370 -0.136 20 0 DBADRM CCN(CCC(=O)NC)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001596300100 1017126305 /nfs/dbraw/zinc/12/63/05/1017126305.db2.gz NATWLOGCAJNAKP-JTQLQIEISA-N -1 0 313.354 -0.706 20 0 DBADRM CCN(CCC(=O)[O-])CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O ZINC001596314501 1017127125 /nfs/dbraw/zinc/12/71/25/1017127125.db2.gz VEFAFAYMMHPRBX-UHFFFAOYSA-N -1 0 312.326 -0.470 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1nnnn1C1CC1 ZINC001596333628 1017128280 /nfs/dbraw/zinc/12/82/80/1017128280.db2.gz UGNHJLQCYHEQIC-GHMZBOCLSA-N -1 0 322.369 -0.333 20 0 DBADRM CCN(CCNC(=O)C1(C(N)=O)CC1)c1ncc(C(=O)[O-])cn1 ZINC001596333580 1017128364 /nfs/dbraw/zinc/12/83/64/1017128364.db2.gz SOJKHAQRHUKEHG-UHFFFAOYSA-N -1 0 321.337 -0.617 20 0 DBADRM CCN(CCNC(=O)CN(C)C(C)=O)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596333648 1017131202 /nfs/dbraw/zinc/13/12/02/1017131202.db2.gz UTZSGIJRXUKFSU-GHMZBOCLSA-N -1 0 313.354 -0.850 20 0 DBADRM CCN(CCNC(=O)c1cnn(C)c1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596334746 1017131277 /nfs/dbraw/zinc/13/12/77/1017131277.db2.gz CDWWEMBJMFGMMX-WDEREUQCSA-N -1 0 308.338 -0.281 20 0 DBADRM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)CNC(C)=O ZINC001596340501 1017131491 /nfs/dbraw/zinc/13/14/91/1017131491.db2.gz AYCGNRUVKBEPHR-UHFFFAOYSA-N -1 0 309.326 -0.429 20 0 DBADRM CCN(CCNC(=O)Cc1cc[nH]n1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596334657 1017131874 /nfs/dbraw/zinc/13/18/74/1017131874.db2.gz QKXGOJJDNCSOPR-MNOVXSKESA-N -1 0 308.338 -0.362 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1nnnn1C1CC1 ZINC001596333630 1017131885 /nfs/dbraw/zinc/13/18/85/1017131885.db2.gz UGNHJLQCYHEQIC-QWRGUYRKSA-N -1 0 322.369 -0.333 20 0 DBADRM CCN(CCNC(=O)CN(C)C(C)=O)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596333649 1017132210 /nfs/dbraw/zinc/13/22/10/1017132210.db2.gz UTZSGIJRXUKFSU-MNOVXSKESA-N -1 0 313.354 -0.850 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])CCN2C1=O ZINC001596389551 1017133084 /nfs/dbraw/zinc/13/30/84/1017133084.db2.gz JKJFWPAIBHGZQI-LPEHRKFASA-N -1 0 324.337 -0.615 20 0 DBADRM CCN(CCO)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001596341404 1017133755 /nfs/dbraw/zinc/13/37/55/1017133755.db2.gz ZCWCIWMEZRSCGT-UHFFFAOYSA-N -1 0 310.306 -0.071 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)c1scnc1C(=O)[O-] ZINC001596384273 1017134152 /nfs/dbraw/zinc/13/41/52/1017134152.db2.gz QBWIABJDIBZGPQ-UHFFFAOYSA-N -1 0 323.352 -0.471 20 0 DBADRM CCN(CCS(C)(=O)=O)[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001596347634 1017135125 /nfs/dbraw/zinc/13/51/25/1017135125.db2.gz XJMDKVNJBOVQKN-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CC[C@@](OC)(C(=O)[O-])C2)CC1=O ZINC001596402675 1017136721 /nfs/dbraw/zinc/13/67/21/1017136721.db2.gz PUGSBWHQFRGPER-SKDRFNHKSA-N -1 0 320.367 -0.888 20 0 DBADRM CCN1C[C@H](CN2C(=O)[C@H]3C[C@H](C(=O)[O-])CCN3C2=O)CC1=O ZINC001596395930 1017136978 /nfs/dbraw/zinc/13/69/78/1017136978.db2.gz JVSWVCXRCZDNMK-GMTAPVOTSA-N -1 0 323.349 -0.018 20 0 DBADRM CCN1C[C@H](N2C(=O)[C@@H]3C[C@H](C(=O)[O-])CCN3C2=O)CC1=O ZINC001596398519 1017137035 /nfs/dbraw/zinc/13/70/35/1017137035.db2.gz YLPALSRQLRZQDX-BBBLOLIVSA-N -1 0 309.322 -0.265 20 0 DBADRM CCN1C[C@H](CNC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1=O ZINC001596397761 1017137066 /nfs/dbraw/zinc/13/70/66/1017137066.db2.gz NQLYLXIWLBTPQF-VWYCJHECSA-N -1 0 313.354 -0.262 20 0 DBADRM CCN1C[C@H](CN2C(=O)[C@@H]3C[C@H](C(=O)[O-])CCN3C2=O)CC1=O ZINC001596395931 1017137390 /nfs/dbraw/zinc/13/73/90/1017137390.db2.gz JVSWVCXRCZDNMK-MXWKQRLJSA-N -1 0 323.349 -0.018 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2CC[C@@](OC)(C(=O)[O-])C2)CC1=O ZINC001596402673 1017137311 /nfs/dbraw/zinc/13/73/11/1017137311.db2.gz PUGSBWHQFRGPER-CABZTGNLSA-N -1 0 320.367 -0.888 20 0 DBADRM CCN1CC[C@H](n2nnnc2N2CC[C@@H](C(=O)[O-])[C@H]2C)C1=O ZINC001596415220 1017139522 /nfs/dbraw/zinc/13/95/22/1017139522.db2.gz MUABOPUDAZTVSM-BBBLOLIVSA-N -1 0 308.342 -0.234 20 0 DBADRM CCN1CC[C@@H](NC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)C1=O ZINC001596409082 1017140030 /nfs/dbraw/zinc/14/00/30/1017140030.db2.gz JQATUIMGRADXPD-SECBINFHSA-N -1 0 321.337 -0.163 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNCc2cnsn2)c1[O-] ZINC001496966303 1017143665 /nfs/dbraw/zinc/14/36/65/1017143665.db2.gz TVQYGLIRIPVZND-MRVPVSSYSA-N -1 0 312.355 -0.844 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC001596427652 1017143949 /nfs/dbraw/zinc/14/39/49/1017143949.db2.gz LBABXMXBHINBEJ-OAHLLOKOSA-N -1 0 311.382 -0.136 20 0 DBADRM CCN1CCO[C@@H](C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])C1 ZINC001596442324 1017145914 /nfs/dbraw/zinc/14/59/14/1017145914.db2.gz HZWFSSDVYGDSES-WDEREUQCSA-N -1 0 316.354 -0.570 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001596444239 1017146180 /nfs/dbraw/zinc/14/61/80/1017146180.db2.gz LJLXRRXHQIIRKC-BXUZGUMPSA-N -1 0 300.355 -0.153 20 0 DBADRM CCN1CCN(S(=O)(=O)c2scnc2C(=O)[O-])CC1=O ZINC001596439104 1017146190 /nfs/dbraw/zinc/14/61/90/1017146190.db2.gz UMJOJNPSWZDUNA-UHFFFAOYSA-N -1 0 319.364 -0.306 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC001596442366 1017146408 /nfs/dbraw/zinc/14/64/08/1017146408.db2.gz JIAJRZRLLQYVHN-MISXGVKJSA-N -1 0 300.355 -0.202 20 0 DBADRM CCN1CCOC[C@H]1C(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001596441926 1017146522 /nfs/dbraw/zinc/14/65/22/1017146522.db2.gz ATGWRSNVFARRPM-MNOVXSKESA-N -1 0 316.354 -0.570 20 0 DBADRM CCN1CCO[C@@H](C(=O)N2CCSC[C@H](C(=O)[O-])C2)C1 ZINC001596442688 1017147013 /nfs/dbraw/zinc/14/70/13/1017147013.db2.gz OPPRENZZYXYYBB-GHMZBOCLSA-N -1 0 302.396 -0.017 20 0 DBADRM CCN1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)[C@@H](C)C1 ZINC001596439137 1017147481 /nfs/dbraw/zinc/14/74/81/1017147481.db2.gz XVWWJAGDYJJKQM-JTQLQIEISA-N -1 0 316.383 -0.318 20 0 DBADRM CCNC(=O)[C@@H](C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001596451870 1017149089 /nfs/dbraw/zinc/14/90/89/1017149089.db2.gz LBRUECWRJMQNIX-ZCFIWIBFSA-N -1 0 304.328 -0.781 20 0 DBADRM CCNC(=O)C1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1 ZINC001596452357 1017150118 /nfs/dbraw/zinc/15/01/18/1017150118.db2.gz RJBIMKKAYSQJIK-UHFFFAOYSA-N -1 0 322.321 -0.744 20 0 DBADRM CCNC(=O)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])CC2 ZINC001596461770 1017151561 /nfs/dbraw/zinc/15/15/61/1017151561.db2.gz JQPLIRZMKJHSBL-NEPJUHHUSA-N -1 0 323.393 -0.232 20 0 DBADRM CCNC(=O)NC(=O)CN1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001596485101 1017151762 /nfs/dbraw/zinc/15/17/62/1017151762.db2.gz LIEAOEAFAQXRBI-VPOLOUISSA-N -1 0 313.354 -0.073 20 0 DBADRM CCNC(=O)OC[C@H]1CCCCN1CC(=O)NCC(=O)[O-] ZINC001596473560 1017152109 /nfs/dbraw/zinc/15/21/09/1017152109.db2.gz XQIWUZHVGCYVHP-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM CCNC(=O)NC(=O)CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001596484468 1017152622 /nfs/dbraw/zinc/15/26/22/1017152622.db2.gz KKWXUYPHBIKGIG-SECBINFHSA-N -1 0 324.341 -0.541 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCOC1)C(C)=O ZINC001596525397 1017154294 /nfs/dbraw/zinc/15/42/94/1017154294.db2.gz AYVNKNSWLTULIX-RNCFNFMXSA-N -1 0 301.295 -0.495 20 0 DBADRM CCOC(=O)[C@H](CC)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001596528595 1017158673 /nfs/dbraw/zinc/15/86/73/1017158673.db2.gz WQSALFRGQFIVLV-UWVGGRQHSA-N -1 0 307.368 -0.098 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCO1 ZINC001596585345 1017160351 /nfs/dbraw/zinc/16/03/51/1017160351.db2.gz MVHWZIIGZMIMQM-KXUCPTDWSA-N -1 0 301.295 -0.591 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001596576182 1017160559 /nfs/dbraw/zinc/16/05/59/1017160559.db2.gz OGCWTGDHMKERRK-OPRDCNLKSA-N -1 0 320.367 -0.431 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CCO1 ZINC001596585344 1017160913 /nfs/dbraw/zinc/16/09/13/1017160913.db2.gz MVHWZIIGZMIMQM-IVZWLZJFSA-N -1 0 301.295 -0.591 20 0 DBADRM CCOC(=O)N1CCC[C@@H](C(=O)N[C@](C)(CO)C(=O)[O-])C1 ZINC001596651323 1017164626 /nfs/dbraw/zinc/16/46/26/1017164626.db2.gz UZYWKYAYIVRHCK-NOZJJQNGSA-N -1 0 302.327 -0.193 20 0 DBADRM CCOC(=O)COCCN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001596628791 1017164911 /nfs/dbraw/zinc/16/49/11/1017164911.db2.gz KFAVBLGIUQBJDJ-CYBMUJFWSA-N -1 0 316.310 -0.259 20 0 DBADRM CCOC(=O)CNC(=O)[C@@H]1COCCN1C/C=C(\C)C(=O)[O-] ZINC001596624481 1017165634 /nfs/dbraw/zinc/16/56/34/1017165634.db2.gz KYXDGFYOPILQMS-INJWIWPUSA-N -1 0 314.338 -0.603 20 0 DBADRM CCOC(=O)CNC(=O)[C@H]1COCCN1C/C=C(/C)C(=O)[O-] ZINC001596624485 1017166090 /nfs/dbraw/zinc/16/60/90/1017166090.db2.gz KYXDGFYOPILQMS-NEOSZVFXSA-N -1 0 314.338 -0.603 20 0 DBADRM CCO[C@H](C(=O)NC1(C(=O)[O-])CC(CO)C1)[C@H]1CCOC1 ZINC001596762586 1017167357 /nfs/dbraw/zinc/16/73/57/1017167357.db2.gz VZGDFRAOXSYGQF-JXJNQWLDSA-N -1 0 301.339 -0.230 20 0 DBADRM CCOC(=O)c1nccc(N2CCC[C@H]2C(=O)NCC(=O)[O-])n1 ZINC001596754877 1017168466 /nfs/dbraw/zinc/16/84/66/1017168466.db2.gz XHYOGYYMGJYWFZ-VIFPVBQESA-N -1 0 322.321 -0.177 20 0 DBADRM CCOC(C)(C)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001596768821 1017170251 /nfs/dbraw/zinc/17/02/51/1017170251.db2.gz ULDNYOVJRWOOTG-ZJUUUORDSA-N -1 0 316.354 -0.788 20 0 DBADRM CCO[C@@H]1C[C@@H](N2C(=O)N[C@H](CCC(=O)[O-])C2=O)[C@@H]1OC ZINC001596814527 1017170687 /nfs/dbraw/zinc/17/06/87/1017170687.db2.gz ZIYCGUBMQHNSJT-CDLYGTGVSA-N -1 0 300.311 -0.036 20 0 DBADRM CCO[C@@H]1C[C@](NS(=O)(=O)C2COC2)(C(=O)[O-])C1(C)C ZINC001596836540 1017173443 /nfs/dbraw/zinc/17/34/43/1017173443.db2.gz DMOGPTCFTXBQMR-SKDRFNHKSA-N -1 0 307.368 -0.037 20 0 DBADRM CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001596772540 1017171337 /nfs/dbraw/zinc/17/13/37/1017171337.db2.gz MZOFLSYIJSPTRF-AEJSXWLSSA-N -1 0 324.337 -0.735 20 0 DBADRM CCOC(Cn1cc(C(=O)N2CC(C(=O)[O-])C2)nn1)OCC ZINC001596790605 1017171375 /nfs/dbraw/zinc/17/13/75/1017171375.db2.gz DEGAASKOKDPBFG-UHFFFAOYSA-N -1 0 312.326 -0.166 20 0 DBADRM CCO[C@@H]1C[C@](NC(=O)[C@@H](O)C(C)(C)O)(C(=O)[O-])C1(C)C ZINC001596812330 1017171396 /nfs/dbraw/zinc/17/13/96/1017171396.db2.gz HIBPXCNTGCHJMA-NUPCCRGMSA-N -1 0 303.355 -0.107 20 0 DBADRM CCOC(C)(C)CNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001596768818 1017171749 /nfs/dbraw/zinc/17/17/49/1017171749.db2.gz ULDNYOVJRWOOTG-NXEZZACHSA-N -1 0 316.354 -0.788 20 0 DBADRM CCOC1CC(O)(CNS(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001596847419 1017173376 /nfs/dbraw/zinc/17/33/76/1017173376.db2.gz NXXVHUYXXMGWIU-UHFFFAOYSA-N -1 0 309.384 -0.053 20 0 DBADRM CCO[C@H]1C[C@](NC(=O)[C@H](C)NC(N)=O)(C(=O)[O-])C1(C)C ZINC001596829679 1017173628 /nfs/dbraw/zinc/17/36/28/1017173628.db2.gz YRNKALMUWITJAN-UPFKWVMWSA-N -1 0 301.343 -0.182 20 0 DBADRM CCO[C@@H]1C[C@@](NC(=O)CCNC(=O)CO)(C(=O)[O-])C1(C)C ZINC001596819067 1017174055 /nfs/dbraw/zinc/17/40/55/1017174055.db2.gz ZZLJINGOUHMQSZ-YMTOWFKASA-N -1 0 316.354 -0.740 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001596864414 1017174074 /nfs/dbraw/zinc/17/40/74/1017174074.db2.gz VIVIGOTXYSMNIH-IONNQARKSA-N -1 0 319.339 -0.420 20 0 DBADRM CCOCC(=O)NC[C@H]1COCCN1c1ccnc(C(=O)[O-])n1 ZINC001596861474 1017174084 /nfs/dbraw/zinc/17/40/84/1017174084.db2.gz NYCHMGYZNKPABN-JTQLQIEISA-N -1 0 324.337 -0.467 20 0 DBADRM CCO[C@@H]1C[C@@](NC(=O)[C@H]2COC(=O)N2)(C(=O)[O-])C1(C)C ZINC001596826447 1017174172 /nfs/dbraw/zinc/17/41/72/1017174172.db2.gz ABJPOXVVEXHLSJ-OTPXZMOZSA-N -1 0 300.311 -0.131 20 0 DBADRM CCOC1CC(O)(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001596845248 1017174263 /nfs/dbraw/zinc/17/42/63/1017174263.db2.gz DOLFMKAGOZCLTP-IYQXKOHFSA-N -1 0 307.368 -0.301 20 0 DBADRM CCOCCNC(=O)CN[C@H](Cc1cncs1)C(=O)[O-] ZINC001596929346 1017177729 /nfs/dbraw/zinc/17/77/29/1017177729.db2.gz BDLIOFVOUCFXKV-SNVBAGLBSA-N -1 0 301.368 -0.119 20 0 DBADRM CCOC[C@H]1CN(C(=O)Cn2cccc(C(=O)[O-])c2=O)CCO1 ZINC001596895868 1017178727 /nfs/dbraw/zinc/17/87/27/1017178727.db2.gz ACHDRWVNCXYTTB-LLVKDONJSA-N -1 0 324.333 -0.190 20 0 DBADRM CCOCC1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CC1 ZINC001596890555 1017178735 /nfs/dbraw/zinc/17/87/35/1017178735.db2.gz BNWCCTUDAOTMEU-TVQRCGJNSA-N -1 0 319.379 -0.193 20 0 DBADRM CCOCCOC[C@H](O)CNC(=O)c1ccc(C(=O)[O-])n1C ZINC001596933808 1017180575 /nfs/dbraw/zinc/18/05/75/1017180575.db2.gz BSXWAPOCWJFWPC-SNVBAGLBSA-N -1 0 314.338 -0.133 20 0 DBADRM CCOCc1nc([C@H](C)NC(=O)N2CC(O)(C(=O)[O-])C2)no1 ZINC001596950312 1017180593 /nfs/dbraw/zinc/18/05/93/1017180593.db2.gz DDSIQRKAILGPIS-ZETCQYMHSA-N -1 0 314.298 -0.492 20 0 DBADRM CCOCCOCC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001596935714 1017181153 /nfs/dbraw/zinc/18/11/53/1017181153.db2.gz SVGABQRLJJKERI-GHMZBOCLSA-N -1 0 317.338 -0.096 20 0 DBADRM CCOCCS(=O)(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001596939722 1017181376 /nfs/dbraw/zinc/18/13/76/1017181376.db2.gz SCLPNOIGHAGWGO-BDAKNGLRSA-N -1 0 309.340 -0.842 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)Nc1c[nH]nc1C(=O)[O-] ZINC001596943890 1017181432 /nfs/dbraw/zinc/18/14/32/1017181432.db2.gz FDGDZJQLCFJIHZ-UHFFFAOYSA-N -1 0 320.327 -0.998 20 0 DBADRM CCOCCOCC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001596935716 1017181445 /nfs/dbraw/zinc/18/14/45/1017181445.db2.gz SVGABQRLJJKERI-QWRGUYRKSA-N -1 0 317.338 -0.096 20 0 DBADRM CCOCCO[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001596931796 1017181924 /nfs/dbraw/zinc/18/19/24/1017181924.db2.gz FTRDEOAEHPNOPV-LPEHRKFASA-N -1 0 304.343 -0.478 20 0 DBADRM CCO[C@@]1(C)C[C@H]1NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001596979697 1017184142 /nfs/dbraw/zinc/18/41/42/1017184142.db2.gz JEVQEUCRGJYRKB-YGRLFVJLSA-N -1 0 324.337 -0.102 20 0 DBADRM CCOc1ccccc1C(=O)NCC(=O)NCC[C@H](O)C(=O)[O-] ZINC001597168503 1017186713 /nfs/dbraw/zinc/18/67/13/1017186713.db2.gz PLEIGBVATZPOIL-NSHDSACASA-N -1 0 324.333 -0.233 20 0 DBADRM CCOc1cnc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)cn1 ZINC001597186523 1017186786 /nfs/dbraw/zinc/18/67/86/1017186786.db2.gz WGDZVIXFOLJQTB-DTWKUNHWSA-N -1 0 323.305 -0.179 20 0 DBADRM CCOc1cccc(CC(=O)N[C@H](Cn2cncn2)C(=O)[O-])n1 ZINC001597149168 1017187332 /nfs/dbraw/zinc/18/73/32/1017187332.db2.gz AOCDEQPQXVAEBX-LLVKDONJSA-N -1 0 319.321 -0.116 20 0 DBADRM CCS(=O)(=O)CC(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001597208574 1017188270 /nfs/dbraw/zinc/18/82/70/1017188270.db2.gz ZVCYEXHNQBUVIA-LLVKDONJSA-N -1 0 314.363 -0.124 20 0 DBADRM CCS(=O)(=O)C1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001597207412 1017188984 /nfs/dbraw/zinc/18/89/84/1017188984.db2.gz FYFNAKNZLQDLFP-OCAPTIKFSA-N -1 0 311.381 -0.702 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCSC[C@H]1C(=O)[O-] ZINC001597215797 1017189304 /nfs/dbraw/zinc/18/93/04/1017189304.db2.gz GHXQWPBKQGXORW-QMMMGPOBSA-N -1 0 310.397 -0.704 20 0 DBADRM CCS(=O)(=O)CC(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001597208264 1017189692 /nfs/dbraw/zinc/18/96/92/1017189692.db2.gz SCOUGIUAWMFSBR-SECBINFHSA-N -1 0 321.351 -0.570 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)c1cnc(C(=O)[O-])cn1 ZINC001597210147 1017189740 /nfs/dbraw/zinc/18/97/40/1017189740.db2.gz ZEBQWOBZYUQERT-UHFFFAOYSA-N -1 0 301.324 -0.319 20 0 DBADRM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)[O-] ZINC001597288344 1017196330 /nfs/dbraw/zinc/19/63/30/1017196330.db2.gz DTKPOZJPKXBXFA-MRVPVSSYSA-N -1 0 317.342 -0.393 20 0 DBADRM CCCC(=O)NC[C@@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001497014556 1017196582 /nfs/dbraw/zinc/19/65/82/1017196582.db2.gz WYZINTVCOKZYFK-QMMMGPOBSA-N -1 0 309.326 -0.196 20 0 DBADRM CCc1cc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)[nH]n1 ZINC001597432287 1017199111 /nfs/dbraw/zinc/19/91/11/1017199111.db2.gz YRNGTOWKYZJUKA-UHFFFAOYSA-N -1 0 304.310 -0.276 20 0 DBADRM CCc1cc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)nn1C ZINC001597431644 1017199535 /nfs/dbraw/zinc/19/95/35/1017199535.db2.gz QPQDSLGQRNETID-UHFFFAOYSA-N -1 0 318.337 -0.266 20 0 DBADRM CCc1c[nH]c(CC(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)n1 ZINC001597626079 1017201260 /nfs/dbraw/zinc/20/12/60/1017201260.db2.gz JHAVYHRZPYNUEV-ZJUUUORDSA-N -1 0 309.322 -0.153 20 0 DBADRM CCc1ccc(NC(=O)C(=O)NC[C@H](O)CO)c(C(=O)[O-])c1 ZINC001597537041 1017201675 /nfs/dbraw/zinc/20/16/75/1017201675.db2.gz JMTGYJLDTINZSS-VIFPVBQESA-N -1 0 310.306 -0.645 20 0 DBADRM CCc1ccc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)c(C(=O)[O-])c1 ZINC001597537457 1017202054 /nfs/dbraw/zinc/20/20/54/1017202054.db2.gz NOCZKGMLXMSBIR-VIFPVBQESA-N -1 0 319.317 -0.110 20 0 DBADRM CCc1nnc([C@@H]2C[C@@H](O)CN2C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)[nH]1 ZINC001597690362 1017203227 /nfs/dbraw/zinc/20/32/27/1017203227.db2.gz SKYABIFOUJTSLT-RGOKHQFPSA-N -1 0 324.337 -0.366 20 0 DBADRM CCc1nc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])sc1C ZINC001597672912 1017203395 /nfs/dbraw/zinc/20/33/95/1017203395.db2.gz BUCRHLRIIDHKQY-ZETCQYMHSA-N -1 0 315.351 -0.096 20 0 DBADRM CCc1nc(CN2CC(O)(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)no1 ZINC001597667895 1017203604 /nfs/dbraw/zinc/20/36/04/1017203604.db2.gz ZZGAFGXNBQVOFZ-BDAKNGLRSA-N -1 0 324.337 -0.984 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](O)C(=O)OC ZINC001597784454 1017205318 /nfs/dbraw/zinc/20/53/18/1017205318.db2.gz SSNCLZIZEYARSP-LURJTMIESA-N -1 0 321.307 -0.648 20 0 DBADRM CCc1nnc2ccc(N3C[C@H](C(=O)OC)[C@H](C(=O)[O-])C3)nn21 ZINC001597735429 1017206499 /nfs/dbraw/zinc/20/64/99/1017206499.db2.gz CVXNJNKRSIGGOL-BDAKNGLRSA-N -1 0 319.321 -0.003 20 0 DBADRM CCc1nncn1CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001597735838 1017206690 /nfs/dbraw/zinc/20/66/90/1017206690.db2.gz KOFYQKPFKHRODI-ZJUUUORDSA-N -1 0 323.353 -0.722 20 0 DBADRM CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001597843820 1017207924 /nfs/dbraw/zinc/20/79/24/1017207924.db2.gz LZEQQFKPMGHCFY-NXEZZACHSA-N -1 0 323.353 -0.467 20 0 DBADRM CCn1c([C@H](O)COC)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001597842939 1017208047 /nfs/dbraw/zinc/20/80/47/1017208047.db2.gz KWYFQYBCBIIJPX-BBBLOLIVSA-N -1 0 314.342 -0.344 20 0 DBADRM CCn1c(CC2CC(O)C2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001597850567 1017208276 /nfs/dbraw/zinc/20/82/76/1017208276.db2.gz PFNUIBXFASKJGN-ILDUYXDCSA-N -1 0 310.354 -0.099 20 0 DBADRM CCn1c(Br)ncc1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001597837395 1017208829 /nfs/dbraw/zinc/20/88/29/1017208829.db2.gz WWZKCFTZZFZSKZ-UHFFFAOYSA-N -1 0 318.127 -0.063 20 0 DBADRM CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001597843821 1017209130 /nfs/dbraw/zinc/20/91/30/1017209130.db2.gz LZEQQFKPMGHCFY-UWVGGRQHSA-N -1 0 323.353 -0.467 20 0 DBADRM CCn1c([C@@H]2CCC(=O)NC2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001597844938 1017209571 /nfs/dbraw/zinc/20/95/71/1017209571.db2.gz SMKMECHICXIKNS-ZJUUUORDSA-N -1 0 323.353 -0.419 20 0 DBADRM CCn1c([C@H]2CNC(=O)C2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001597851294 1017209755 /nfs/dbraw/zinc/20/97/55/1017209755.db2.gz VYNITCPXWSBOIX-AMIZOPFISA-N -1 0 311.317 -0.096 20 0 DBADRM CCn1cc(-c2nn(C)cc2C(=O)NC[C@H](O)CC(=O)[O-])cn1 ZINC001597869814 1017209815 /nfs/dbraw/zinc/20/98/15/1017209815.db2.gz IXUNKKUPBVQROS-SNVBAGLBSA-N -1 0 321.337 -0.131 20 0 DBADRM CCn1c(=O)[nH]c2cc(C(=O)N[C@@H](CO)C(=O)[O-])ccc2c1=O ZINC001597831217 1017209845 /nfs/dbraw/zinc/20/98/45/1017209845.db2.gz BAWQXYQKMHLANY-JTQLQIEISA-N -1 0 321.289 -0.703 20 0 DBADRM CCn1cc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001597898143 1017210501 /nfs/dbraw/zinc/21/05/01/1017210501.db2.gz IOVSUZVFUUAMHT-IUCAKERBSA-N -1 0 303.340 -0.641 20 0 DBADRM CCn1cc(CC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)nn1 ZINC001597879617 1017210990 /nfs/dbraw/zinc/21/09/90/1017210990.db2.gz BWSYGFQGUDDBAF-CYBMUJFWSA-N -1 0 307.310 -0.328 20 0 DBADRM CCn1cc(C(=O)NCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001597877101 1017211673 /nfs/dbraw/zinc/21/16/73/1017211673.db2.gz REMLVRGLJWJPDR-IUCAKERBSA-N -1 0 309.326 -0.793 20 0 DBADRM CCn1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cn1 ZINC001597875758 1017212530 /nfs/dbraw/zinc/21/25/30/1017212530.db2.gz NPXISZVVNHUQDB-VXGBXAGGSA-N -1 0 320.349 -0.092 20 0 DBADRM CCn1cc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001597877002 1017212715 /nfs/dbraw/zinc/21/27/15/1017212715.db2.gz NAJBTINNMUEJGY-OKWQPMOJSA-N -1 0 321.337 -0.579 20 0 DBADRM CCn1cnc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001597917034 1017213414 /nfs/dbraw/zinc/21/34/14/1017213414.db2.gz SQVRIMVXKCBFKC-UWVGGRQHSA-N -1 0 306.322 -0.436 20 0 DBADRM CCn1nc(C)cc1NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001597945346 1017216337 /nfs/dbraw/zinc/21/63/37/1017216337.db2.gz ZDIUVDYWFXRBSW-JTQLQIEISA-N -1 0 324.337 -0.148 20 0 DBADRM CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[N-]OCC(N)=O ZINC001597917878 1017216644 /nfs/dbraw/zinc/21/66/44/1017216644.db2.gz SAKSCXFBGXOOIP-VIFPVBQESA-N -1 0 316.358 -0.929 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001597923130 1017217074 /nfs/dbraw/zinc/21/70/74/1017217074.db2.gz VWILPAHCXDBAPB-SNVBAGLBSA-N -1 0 316.383 -0.460 20 0 DBADRM CCn1[nH]c(C)nc1=NC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001597944507 1017217336 /nfs/dbraw/zinc/21/73/36/1017217336.db2.gz IORULLZSVGYCON-ZDUSSCGKSA-N -1 0 322.325 -0.134 20 0 DBADRM CCn1nc(C)c(CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1C ZINC001597934381 1017217371 /nfs/dbraw/zinc/21/73/71/1017217371.db2.gz PXKPRHKMFMZHJX-GFCCVEGCSA-N -1 0 322.365 -0.136 20 0 DBADRM CCn1cnc2c1CCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C2 ZINC001597921216 1017217456 /nfs/dbraw/zinc/21/74/56/1017217456.db2.gz ZYFMIZJPUNNTOD-QMMMGPOBSA-N -1 0 312.301 -0.673 20 0 DBADRM CCn1nc(C(=O)NC[C@H](O)C(=O)[O-])c(=O)c2ccccc21 ZINC001597928010 1017217471 /nfs/dbraw/zinc/21/74/71/1017217471.db2.gz RRTFMPOTLUVHBE-JTQLQIEISA-N -1 0 305.290 -0.408 20 0 DBADRM CCn1nc(C)c(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)n1 ZINC001597933965 1017217714 /nfs/dbraw/zinc/21/77/14/1017217714.db2.gz HVXQBLIRGZAFRG-SECBINFHSA-N -1 0 310.310 -0.161 20 0 DBADRM CN1CC[C@@](Cc2ccccc2)(C(=O)[N-]OCC(N)=O)C1=O ZINC001597917437 1017217734 /nfs/dbraw/zinc/21/77/34/1017217734.db2.gz JYQKRZYPOKBUBF-OAHLLOKOSA-N -1 0 305.334 -0.389 20 0 DBADRM CCn1ncc(CN2C(=O)[C@H]3CC[C@H](C(=O)[O-])CN3C2=O)n1 ZINC001597957107 1017218576 /nfs/dbraw/zinc/21/85/76/1017218576.db2.gz MDVCMWNJQZVIIS-WCBMZHEXSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)n1 ZINC001597957087 1017218834 /nfs/dbraw/zinc/21/88/34/1017218834.db2.gz LZUZWSANCZDSLD-PSASIEDQSA-N -1 0 309.326 -0.764 20 0 DBADRM CCn1ncc(C(=O)N2C[C@@H](C(=O)OC)CC[C@H]2C(=O)[O-])n1 ZINC001597951024 1017219524 /nfs/dbraw/zinc/21/95/24/1017219524.db2.gz VRNZBKJGOFCMFK-WPRPVWTQSA-N -1 0 310.310 -0.224 20 0 DBADRM CCn1ncnc1CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001597969205 1017220187 /nfs/dbraw/zinc/22/01/87/1017220187.db2.gz DPCUXMZTKIDWAK-GHMZBOCLSA-N -1 0 307.354 -0.337 20 0 DBADRM CCn1nncc1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597973629 1017221176 /nfs/dbraw/zinc/22/11/76/1017221176.db2.gz CJCSFNYNQVWVKJ-VHSXEESVSA-N -1 0 321.337 -0.699 20 0 DBADRM CCn1nncc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597973630 1017221394 /nfs/dbraw/zinc/22/13/94/1017221394.db2.gz CJCSFNYNQVWVKJ-ZJUUUORDSA-N -1 0 321.337 -0.699 20 0 DBADRM CCn1nncc1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001597974711 1017221538 /nfs/dbraw/zinc/22/15/38/1017221538.db2.gz ZZFSXLOYNVZRGR-QMMMGPOBSA-N -1 0 316.339 -0.988 20 0 DBADRM CCn1nncc1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001597974382 1017222373 /nfs/dbraw/zinc/22/23/73/1017222373.db2.gz UWWUDFGGLVSQQG-CQSZACIVSA-N -1 0 323.353 -0.701 20 0 DBADRM CN(C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@@H]1CCCC[C@H]1O ZINC001597983215 1017223885 /nfs/dbraw/zinc/22/38/85/1017223885.db2.gz RLBVLLMIXAEPAX-GMTAPVOTSA-N -1 0 314.338 -0.940 20 0 DBADRM CN(C(=O)[C@H]([NH3+])CCC(=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC001597991579 1017224056 /nfs/dbraw/zinc/22/40/56/1017224056.db2.gz QAJZOVFXYCQRPP-GMTAPVOTSA-N -1 0 320.411 -0.007 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@@](O)(C2CC2)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597983371 1017224181 /nfs/dbraw/zinc/22/41/81/1017224181.db2.gz SHPDXYYLCOLIFH-ISOBSLSZSA-N -1 0 310.350 -0.319 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@@H](O)C(F)(F)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597981385 1017224508 /nfs/dbraw/zinc/22/45/08/1017224508.db2.gz CDKCLZWXVHEENM-HRDYMLBCSA-N -1 0 320.292 -0.464 20 0 DBADRM CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]1CCO)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597982866 1017224567 /nfs/dbraw/zinc/22/45/67/1017224567.db2.gz PLDSRSBWRWKJIG-WISYIIOYSA-N -1 0 312.366 -0.025 20 0 DBADRM CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001598072451 1017230554 /nfs/dbraw/zinc/23/05/54/1017230554.db2.gz MLNSVGWNNQKTIK-BBBLOLIVSA-N -1 0 320.367 -0.889 20 0 DBADRM CN(C(=O)Cn1ncn(C)c1=O)[C@H](C(=O)[O-])c1ccccc1 ZINC001598042328 1017230841 /nfs/dbraw/zinc/23/08/41/1017230841.db2.gz VHZAFRFODMFRSA-LBPRGKRZSA-N -1 0 304.306 -0.134 20 0 DBADRM CN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001598052352 1017230986 /nfs/dbraw/zinc/23/09/86/1017230986.db2.gz JVOJPRURJHEOKE-KXUCPTDWSA-N -1 0 319.383 -0.475 20 0 DBADRM CN(C1CS(=O)(=O)C1)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001598376260 1017259484 /nfs/dbraw/zinc/25/94/84/1017259484.db2.gz OSUGADYSVPNZTD-UHFFFAOYSA-N -1 0 311.381 -0.700 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)c1ncc(C(=O)[O-])s1 ZINC001598436392 1017269268 /nfs/dbraw/zinc/26/92/68/1017269268.db2.gz MMULAXZHUKFZEM-SECBINFHSA-N -1 0 301.368 -0.029 20 0 DBADRM CN(CC1(O)CCC1)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001598443118 1017269281 /nfs/dbraw/zinc/26/92/81/1017269281.db2.gz PQJWUXLXTOTXAC-UHFFFAOYSA-N -1 0 301.343 -0.476 20 0 DBADRM CN(C[C@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)C=C1CCC1 ZINC001598437315 1017269449 /nfs/dbraw/zinc/26/94/49/1017269449.db2.gz WABHKRVDYQUIPB-LLVKDONJSA-N -1 0 320.349 -0.062 20 0 DBADRM CN(C[C@H]1CCCC[C@H]1O)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598455793 1017269495 /nfs/dbraw/zinc/26/94/95/1017269495.db2.gz PHRPDTFRKMHIMU-WISYIIOYSA-N -1 0 312.366 -0.025 20 0 DBADRM CN(CCS(N)(=O)=O)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001598500557 1017292568 /nfs/dbraw/zinc/29/25/68/1017292568.db2.gz IITJXVKJCSDSBE-UHFFFAOYSA-N -1 0 312.351 -0.019 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1=O ZINC001598551972 1017299812 /nfs/dbraw/zinc/29/98/12/1017299812.db2.gz YFJDNWARNRPFKG-KYXWUPHJSA-N -1 0 309.322 -0.504 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cccn3nccc23)CC1=O ZINC001598562373 1017305010 /nfs/dbraw/zinc/30/50/10/1017305010.db2.gz JSGSSJZGEVAXCH-NSHDSACASA-N -1 0 302.290 -0.298 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ncoc2-c2ccon2)CC1=O ZINC001598563242 1017305426 /nfs/dbraw/zinc/30/54/26/1017305426.db2.gz IZTBJGIGFPAKRF-QMMMGPOBSA-N -1 0 320.261 -0.303 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@H](O)CCc2ccccc2)CC1=O ZINC001598562457 1017305439 /nfs/dbraw/zinc/30/54/39/1017305439.db2.gz KPCFLBIUAAWNRN-CHWSQXEVSA-N -1 0 320.345 -0.266 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cccc3oc(=O)[nH]c32)CC1=O ZINC001598562307 1017305605 /nfs/dbraw/zinc/30/56/05/1017305605.db2.gz JERYYWVQONNDAI-QMMMGPOBSA-N -1 0 319.273 -0.099 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(C(N)=O)cc2)CC1=O ZINC001598562802 1017305792 /nfs/dbraw/zinc/30/57/92/1017305792.db2.gz MCPFQMAQPCKNFM-JTQLQIEISA-N -1 0 305.290 -0.847 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccnc3[nH]cnc32)CC1=O ZINC001598563917 1017307668 /nfs/dbraw/zinc/30/76/68/1017307668.db2.gz WOSKLEFQORZHIC-MRVPVSSYSA-N -1 0 303.278 -0.675 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)Cc2ccc(C=O)cc2)CC1=O ZINC001598565307 1017307792 /nfs/dbraw/zinc/30/77/92/1017307792.db2.gz SJPHYWZRONGMLA-LBPRGKRZSA-N -1 0 304.302 -0.205 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C[C@@H]2CCCS(=O)(=O)C2)CC1=O ZINC001598564481 1017307808 /nfs/dbraw/zinc/30/78/08/1017307808.db2.gz VEQRYEFEIDBXFK-VHSXEESVSA-N -1 0 304.368 -0.962 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CCN(C)C(=O)C2)cc1C(=O)[O-] ZINC001598586945 1017323060 /nfs/dbraw/zinc/32/30/60/1017323060.db2.gz BXRQFWOFOFPFBA-QMMMGPOBSA-N -1 0 315.351 -0.378 20 0 DBADRM CN1CCN(C(=O)CN2CCc3[nH]nc(C(=O)[O-])c3C2)CC1 ZINC001598605302 1017333015 /nfs/dbraw/zinc/33/30/15/1017333015.db2.gz ZARJWVJURNINOX-UHFFFAOYSA-N -1 0 307.354 -0.760 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC001598604359 1017333434 /nfs/dbraw/zinc/33/34/34/1017333434.db2.gz IVGVQAHZTUEGSR-UHFFFAOYSA-N -1 0 309.366 -0.478 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CCC1=O ZINC001598604023 1017333857 /nfs/dbraw/zinc/33/38/57/1017333857.db2.gz OKJHHGXFCKGVQY-UHFFFAOYSA-N -1 0 320.305 -0.591 20 0 DBADRM CN1CCN(C(=O)COCc2ocnc2C(=O)[O-])C[C@@H]1CO ZINC001598606761 1017336712 /nfs/dbraw/zinc/33/67/12/1017336712.db2.gz CDJZOOXVJVRNCH-SECBINFHSA-N -1 0 313.310 -0.976 20 0 DBADRM CN1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)Cc2cccnc21 ZINC001598606677 1017337356 /nfs/dbraw/zinc/33/73/56/1017337356.db2.gz AVKJKTQHQGNYLH-UHFFFAOYSA-N -1 0 316.321 -0.150 20 0 DBADRM CN1CCN(CC(=O)NCCc2ccccc2C(=O)[O-])CC1=O ZINC001598616794 1017346810 /nfs/dbraw/zinc/34/68/10/1017346810.db2.gz XWXAVWGWTNREEV-UHFFFAOYSA-N -1 0 319.361 -0.183 20 0 DBADRM CN1CCN(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1=O ZINC001598616762 1017349475 /nfs/dbraw/zinc/34/94/75/1017349475.db2.gz WNLRDESJUGSRSB-CQSZACIVSA-N -1 0 305.334 -0.298 20 0 DBADRM CN1CCN(S(=O)(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC001598621181 1017352417 /nfs/dbraw/zinc/35/24/17/1017352417.db2.gz LJNOVUIWUZDGSR-GHMZBOCLSA-N -1 0 321.399 -0.910 20 0 DBADRM CN1CCN(S(=O)(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CC1 ZINC001598621603 1017353774 /nfs/dbraw/zinc/35/37/74/1017353774.db2.gz SPKDEIGAWQIRPO-KKOKHZNYSA-N -1 0 317.411 -0.433 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1COCCN1C ZINC001598625541 1017354450 /nfs/dbraw/zinc/35/44/50/1017354450.db2.gz OGUJTUFIQXUOJO-SNVBAGLBSA-N -1 0 317.367 -0.668 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001598624438 1017355271 /nfs/dbraw/zinc/35/52/71/1017355271.db2.gz XINXKHGSQZIJGE-XZUYRWCXSA-N -1 0 318.395 -0.510 20 0 DBADRM CN1CCO[C@H](C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])C1=O ZINC001598625934 1017355391 /nfs/dbraw/zinc/35/53/91/1017355391.db2.gz QAOVXOFEQARXFB-VXGBXAGGSA-N -1 0 322.317 -0.508 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N[C@](C)(CCF)C(=O)[O-])C1 ZINC001598623598 1017355655 /nfs/dbraw/zinc/35/56/55/1017355655.db2.gz KUBUBAABHAPEBA-MWLCHTKSSA-N -1 0 312.363 -0.561 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@](C)(CC(=O)[O-])c2cccnc2)C1=O ZINC001598624151 1017356184 /nfs/dbraw/zinc/35/61/84/1017356184.db2.gz DBZBTQJEJOMKBU-IUODEOHRSA-N -1 0 321.333 -0.255 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)C1=O ZINC001598624155 1017356263 /nfs/dbraw/zinc/35/62/63/1017356263.db2.gz DBZBTQJEJOMKBU-WFASDCNBSA-N -1 0 321.333 -0.255 20 0 DBADRM CN1Cc2c(cccc2NC(=O)N2CC(O)(C(=O)[O-])C2)C1=O ZINC001598630579 1017357228 /nfs/dbraw/zinc/35/72/28/1017357228.db2.gz RVGUSSZNEKAKRX-UHFFFAOYSA-N -1 0 305.290 -0.065 20 0 DBADRM CN1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1=O ZINC001598627664 1017357770 /nfs/dbraw/zinc/35/77/70/1017357770.db2.gz DQBNQTYUUPIYGA-UHFFFAOYSA-N -1 0 305.290 -0.490 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)C1=O ZINC001598626496 1017359108 /nfs/dbraw/zinc/35/91/08/1017359108.db2.gz YOGBMDJGMNLLBT-ABAIWWIYSA-N -1 0 306.318 -0.040 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NCC(C)(C)CC(=O)[O-])CCO1 ZINC001598636691 1017360857 /nfs/dbraw/zinc/36/08/57/1017360857.db2.gz ACQDDCTVYJIKEW-SECBINFHSA-N -1 0 301.343 -0.356 20 0 DBADRM CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001598634889 1017361275 /nfs/dbraw/zinc/36/12/75/1017361275.db2.gz YZTZFBPHOFJOGW-SNVBAGLBSA-N -1 0 316.335 -0.922 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001598632370 1017361330 /nfs/dbraw/zinc/36/13/30/1017361330.db2.gz FTRJEESKKCUGGJ-SECBINFHSA-N -1 0 323.353 -0.792 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001598633567 1017361847 /nfs/dbraw/zinc/36/18/47/1017361847.db2.gz PYFSXWIMXDUUPU-ZJUUUORDSA-N -1 0 319.365 -0.076 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598639945 1017363000 /nfs/dbraw/zinc/36/30/00/1017363000.db2.gz OAPUEYNYFURDSH-RKDXNWHRSA-N -1 0 324.341 -0.543 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001598641382 1017363206 /nfs/dbraw/zinc/36/32/06/1017363206.db2.gz CRGUQDNQTYJEND-UHFFFAOYSA-N -1 0 321.333 -0.373 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CCO1 ZINC001598638856 1017363591 /nfs/dbraw/zinc/36/35/91/1017363591.db2.gz NFFQTFDTJOFESE-ISAOAKOHSA-N -1 0 310.350 -0.005 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)CCO1 ZINC001598636738 1017363918 /nfs/dbraw/zinc/36/39/18/1017363918.db2.gz AXNHFONVHUNQSY-MZBZXASESA-N -1 0 308.290 -0.036 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598639741 1017364315 /nfs/dbraw/zinc/36/43/15/1017364315.db2.gz VGOYGTAUEWQKNJ-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598639944 1017364530 /nfs/dbraw/zinc/36/45/30/1017364530.db2.gz OAPUEYNYFURDSH-IUCAKERBSA-N -1 0 324.341 -0.543 20 0 DBADRM CNC(=O)CN(CC(=O)NC)Cc1cc(C(=O)[O-])ccc1F ZINC001598642353 1017365645 /nfs/dbraw/zinc/36/56/45/1017365645.db2.gz PMJAUBCLFJQFKM-UHFFFAOYSA-N -1 0 311.313 -0.182 20 0 DBADRM CNC(=O)CN(CC(=O)NC)Cc1ccc(C(=O)[O-])c(C)c1 ZINC001598643366 1017365766 /nfs/dbraw/zinc/36/57/66/1017365766.db2.gz ZBJOWRCLDQLVSR-UHFFFAOYSA-N -1 0 307.350 -0.013 20 0 DBADRM CNC(=O)CCCN(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001598642944 1017366463 /nfs/dbraw/zinc/36/64/63/1017366463.db2.gz VZYYYSSCWAPACV-IUCAKERBSA-N -1 0 316.358 -0.868 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)NC/C=C(/C)C(=O)[O-])CC1 ZINC001598643007 1017367007 /nfs/dbraw/zinc/36/70/07/1017367007.db2.gz NHDDSAYWCFOJOC-KMKOMSMNSA-N -1 0 312.370 -0.473 20 0 DBADRM CNC(=O)CN1CCN(C(=O)Nc2cc(C(=O)[O-])n(C)n2)CC1 ZINC001598642518 1017367590 /nfs/dbraw/zinc/36/75/90/1017367590.db2.gz KMXXGKACOMJDFR-UHFFFAOYSA-N -1 0 324.341 -0.986 20 0 DBADRM CNC(=O)NCCNS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001598650872 1017368453 /nfs/dbraw/zinc/36/84/53/1017368453.db2.gz PWGGMQWRFQOFRJ-UHFFFAOYSA-N -1 0 321.399 -0.130 20 0 DBADRM CNC(=O)NC(=O)CN[C@@H](C(=O)[O-])c1ccc(OC)c(O)c1 ZINC001598651384 1017369800 /nfs/dbraw/zinc/36/98/00/1017369800.db2.gz HEBUIFZWCMMEHU-LLVKDONJSA-N -1 0 311.294 -0.428 20 0 DBADRM CNC(=O)NCC(=O)N1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001598650747 1017369982 /nfs/dbraw/zinc/36/99/82/1017369982.db2.gz FBNOGELLPLEGMX-GFCCVEGCSA-N -1 0 307.306 -0.038 20 0 DBADRM CNC(=O)NCC(=O)NC/C=C/CNc1ncc(C(=O)[O-])cn1 ZINC001598652777 1017371170 /nfs/dbraw/zinc/37/11/70/1017371170.db2.gz VEVHHZHNDLGQDW-NSCUHMNNSA-N -1 0 322.325 -0.812 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001598652857 1017371656 /nfs/dbraw/zinc/37/16/56/1017371656.db2.gz HBJAGJMBOFFMQV-GHMZBOCLSA-N -1 0 313.354 -0.236 20 0 DBADRM CNC(=O)NCCC(=O)N(C)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598652569 1017371967 /nfs/dbraw/zinc/37/19/67/1017371967.db2.gz FYNWFEBXVUJWBE-JTQLQIEISA-N -1 0 301.343 -0.214 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1cc(OC)ccc1C(=O)[O-] ZINC001598654245 1017372454 /nfs/dbraw/zinc/37/24/54/1017372454.db2.gz JBVXMSHWNAIATK-SSDOTTSWSA-N -1 0 316.335 -0.194 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001598654336 1017372987 /nfs/dbraw/zinc/37/29/87/1017372987.db2.gz LSUJHWWWWGPNME-ZCFIWIBFSA-N -1 0 313.335 -0.056 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)n1 ZINC001598659829 1017374578 /nfs/dbraw/zinc/37/45/78/1017374578.db2.gz XZIOBQZTJFDDAK-KWQFWETISA-N -1 0 307.306 -0.245 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NC[C@H](F)C(=O)[O-])cn1C ZINC001598656995 1017375627 /nfs/dbraw/zinc/37/56/27/1017375627.db2.gz QVNGCZPKFFCUAK-ZETCQYMHSA-N -1 0 307.303 -0.914 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)NC2(C(=O)[O-])CCC2)CC1 ZINC001598670557 1017379328 /nfs/dbraw/zinc/37/93/28/1017379328.db2.gz BUQAEUBSCZURNT-UHFFFAOYSA-N -1 0 319.383 -0.714 20 0 DBADRM CNS(=O)(=O)N1CCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC001598670661 1017379552 /nfs/dbraw/zinc/37/95/52/1017379552.db2.gz HLKRBVVMMMBGGB-UHFFFAOYSA-N -1 0 300.340 -0.634 20 0 DBADRM CNS(=O)(=O)NCC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001598670399 1017379797 /nfs/dbraw/zinc/37/97/97/1017379797.db2.gz DJYUYCQCJGCNEG-SNVBAGLBSA-N -1 0 315.351 -0.975 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC001598670681 1017380050 /nfs/dbraw/zinc/38/00/50/1017380050.db2.gz HXRLIBSWFSPWLN-UHFFFAOYSA-N -1 0 307.353 -0.253 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC001598670019 1017380186 /nfs/dbraw/zinc/38/01/86/1017380186.db2.gz WOIKFPNPAZWWNK-VIFPVBQESA-N -1 0 300.340 -0.702 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H](C)CC(=O)[O-])C1 ZINC001598670746 1017380516 /nfs/dbraw/zinc/38/05/16/1017380516.db2.gz HJBFFGMTFSGLGM-UWVGGRQHSA-N -1 0 306.384 -0.115 20 0 DBADRM CNS(=O)(=O)NCC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001598670298 1017380729 /nfs/dbraw/zinc/38/07/29/1017380729.db2.gz AORLQTNKJIMVCR-SNVBAGLBSA-N -1 0 321.399 -0.563 20 0 DBADRM CNS(=O)(=O)NC1CCN(c2nccnc2C(=O)[O-])CC1 ZINC001598670573 1017380876 /nfs/dbraw/zinc/38/08/76/1017380876.db2.gz FPFXVJYHSKFBPI-UHFFFAOYSA-N -1 0 315.355 -0.803 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(c2ncncc2C(=O)[O-])C1 ZINC001598671691 1017382143 /nfs/dbraw/zinc/38/21/43/1017382143.db2.gz TUSUOFNNKNQACW-VIFPVBQESA-N -1 0 314.367 -0.060 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001598671901 1017383499 /nfs/dbraw/zinc/38/34/99/1017383499.db2.gz VXZMXAHHMAYPSY-UHFFFAOYSA-N -1 0 305.287 -0.484 20 0 DBADRM CNS(=O)(=O)NC1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001598671055 1017382507 /nfs/dbraw/zinc/38/25/07/1017382507.db2.gz MVZRXXJHCSBUJZ-UHFFFAOYSA-N -1 0 315.355 -0.803 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598670814 1017382582 /nfs/dbraw/zinc/38/25/82/1017382582.db2.gz JMFBJYTWUKOFDN-AEJSXWLSSA-N -1 0 304.368 -0.505 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N[C@H](C)/C=C\C(=O)[O-])CC1 ZINC001598671034 1017383155 /nfs/dbraw/zinc/38/31/55/1017383155.db2.gz ICIBBCKAHSTTBS-ZBJFTSOASA-N -1 0 319.383 -0.692 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001598671343 1017383709 /nfs/dbraw/zinc/38/37/09/1017383709.db2.gz DSBRKKZZQPVJCX-UHFFFAOYSA-N -1 0 317.367 -0.001 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)C(=O)[O-])cn1 ZINC001598673307 1017385280 /nfs/dbraw/zinc/38/52/80/1017385280.db2.gz VKHGCKKTPYOFNR-ZCFIWIBFSA-N -1 0 316.291 -0.811 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)N[C@@](C)(CO)C(=O)[O-])c1 ZINC001598677175 1017385917 /nfs/dbraw/zinc/38/59/17/1017385917.db2.gz ITQJQDCYGXLKAF-JTQLQIEISA-N -1 0 322.364 -0.778 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])c(C)o1 ZINC001598674157 1017386371 /nfs/dbraw/zinc/38/63/71/1017386371.db2.gz JIIIOPFMKNNCAI-VXNVDRBHSA-N -1 0 316.335 -0.053 20 0 DBADRM CNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]2C(=O)[O-])cc1 ZINC001598673684 1017386705 /nfs/dbraw/zinc/38/67/05/1017386705.db2.gz DHORXMPVJOYJIQ-NSHDSACASA-N -1 0 312.347 -0.177 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@H](COC)C(=O)[O-])co1 ZINC001598673563 1017386814 /nfs/dbraw/zinc/38/68/14/1017386814.db2.gz VEKHOPCDOAOEDM-SSDOTTSWSA-N -1 0 306.296 -0.983 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001598688665 1017387620 /nfs/dbraw/zinc/38/76/20/1017387620.db2.gz QZDDMGYPKIVXFR-VQVTYTSYSA-N -1 0 315.294 -0.319 20 0 DBADRM COC(=O)[C@@](C)(CO)NCC(=O)Nc1ccsc1C(=O)[O-] ZINC001598689121 1017387665 /nfs/dbraw/zinc/38/76/65/1017387665.db2.gz XWFFZKXGGORHCY-GFCCVEGCSA-N -1 0 316.335 -0.102 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001598688880 1017388130 /nfs/dbraw/zinc/38/81/30/1017388130.db2.gz UEHYTWPWSFBZLB-HRDYMLBCSA-N -1 0 309.340 -0.965 20 0 DBADRM COC(=O)[C@](C)(NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C1CC1 ZINC001598687099 1017388567 /nfs/dbraw/zinc/38/85/67/1017388567.db2.gz DSJKVCONRXIONN-LLVKDONJSA-N -1 0 317.323 -0.272 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001598688882 1017388664 /nfs/dbraw/zinc/38/86/64/1017388664.db2.gz UEHYTWPWSFBZLB-VGMNWLOBSA-N -1 0 309.340 -0.965 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001598683618 1017388931 /nfs/dbraw/zinc/38/89/31/1017388931.db2.gz CCUZHQQCVUKOJS-UHFFFAOYSA-N -1 0 323.367 -0.669 20 0 DBADRM COC(=O)[C@@H](C)CNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598687158 1017389116 /nfs/dbraw/zinc/38/91/16/1017389116.db2.gz CGRHEQRLFSCVIK-ZETCQYMHSA-N -1 0 302.308 -0.133 20 0 DBADRM COC(=O)[C@@H](C)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598687941 1017388869 /nfs/dbraw/zinc/38/88/69/1017388869.db2.gz CAEWXERBSAWQSQ-DTWKUNHWSA-N -1 0 300.311 -0.765 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(C)cnc1N ZINC001598694573 1017389886 /nfs/dbraw/zinc/38/98/86/1017389886.db2.gz KMXFPONHOMYOSG-SSDOTTSWSA-N -1 0 317.323 -0.733 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H]1COc2ccccc2O1 ZINC001598692308 1017390545 /nfs/dbraw/zinc/39/05/45/1017390545.db2.gz CFTLGWTXBIDOMU-KCJUWKMLSA-N -1 0 309.274 -0.041 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc2n[nH]nc2cc1F ZINC001598692084 1017391073 /nfs/dbraw/zinc/39/10/73/1017391073.db2.gz HYXDVEITWLYZID-SECBINFHSA-N -1 0 310.241 -0.157 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](O)c1cccc(OC)c1 ZINC001598694424 1017391102 /nfs/dbraw/zinc/39/11/02/1017391102.db2.gz MSSIOJVXEYDKDF-PWSUYJOCSA-N -1 0 311.290 -0.139 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)C[C@@H](C)CC(=O)[O-] ZINC001598698007 1017393016 /nfs/dbraw/zinc/39/30/16/1017393016.db2.gz QPRFGEVCLBRJRM-RKDXNWHRSA-N -1 0 303.311 -0.092 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cccc(N)c1 ZINC001598695209 1017394250 /nfs/dbraw/zinc/39/42/50/1017394250.db2.gz QCZMKGUYSKSSOG-VIFPVBQESA-N -1 0 302.308 -0.437 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C1CC1 ZINC001598713440 1017395734 /nfs/dbraw/zinc/39/57/34/1017395734.db2.gz NORGOXVHYZXUDU-QMMMGPOBSA-N -1 0 303.296 -0.662 20 0 DBADRM COC(=O)[C@]1(C(=O)NC[C@H](O)C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598717126 1017395189 /nfs/dbraw/zinc/39/51/89/1017395189.db2.gz ZIWJPTLUFBFYQV-ZIBATOQPSA-N -1 0 307.302 -0.105 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001598703382 1017396386 /nfs/dbraw/zinc/39/63/86/1017396386.db2.gz FMPYEDQYMUCALL-LURJTMIESA-N -1 0 307.280 -0.902 20 0 DBADRM COC(=O)[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@@H]1CCOC1 ZINC001598702095 1017396693 /nfs/dbraw/zinc/39/66/93/1017396693.db2.gz RGWPHQFKUCXEKC-DBIOUOCHSA-N -1 0 315.322 -0.440 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)c1ccnn1C ZINC001598706291 1017396862 /nfs/dbraw/zinc/39/68/62/1017396862.db2.gz SDLXZYNMFKGXSI-JTQLQIEISA-N -1 0 319.277 -0.448 20 0 DBADRM COC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001598703862 1017397005 /nfs/dbraw/zinc/39/70/05/1017397005.db2.gz JJYFOYHTTIFDJI-SDDRHHMPSA-N -1 0 322.317 -0.086 20 0 DBADRM COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001598721030 1017398209 /nfs/dbraw/zinc/39/82/09/1017398209.db2.gz LGCZFIFXCOMZCR-SNVBAGLBSA-N -1 0 321.286 -0.616 20 0 DBADRM COC(=O)[C@@]1(N2CCN(C/C=C(\C)C(=O)[O-])CC2)CCOC1 ZINC001598721991 1017398513 /nfs/dbraw/zinc/39/85/13/1017398513.db2.gz NRMWHXZAMUFDCP-NEDLJVEISA-N -1 0 312.366 -0.033 20 0 DBADRM COC(=O)C1(O)CN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001598723866 1017398638 /nfs/dbraw/zinc/39/86/38/1017398638.db2.gz DMLBHLYHBPPWJH-RKDXNWHRSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)[C@]1(OC)CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001598726503 1017401167 /nfs/dbraw/zinc/40/11/67/1017401167.db2.gz WFJQXPTYPVSROS-RVBZMBCESA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)[C@@]1(OC)CCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001598726172 1017401293 /nfs/dbraw/zinc/40/12/93/1017401293.db2.gz QKPGQWXQCDICOF-CYBMUJFWSA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)[C@]1(OC)CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001598726470 1017401466 /nfs/dbraw/zinc/40/14/66/1017401466.db2.gz VKUBMHGYPMUCNO-YGRLFVJLSA-N -1 0 314.338 -0.674 20 0 DBADRM COC(=O)[C@@]1(OC)CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001598726502 1017401548 /nfs/dbraw/zinc/40/15/48/1017401548.db2.gz WFJQXPTYPVSROS-JRKPZEMJSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)C12CC(C(=O)N[C@H](Cn3cncn3)C(=O)[O-])(C1)C2 ZINC001598726718 1017401800 /nfs/dbraw/zinc/40/18/00/1017401800.db2.gz CCPCQZFFHFFFQH-MWBRBAFOSA-N -1 0 308.294 -0.809 20 0 DBADRM COC(=O)[C@@]1(OC)CCN(C(=O)CCSCC(=O)[O-])C1 ZINC001598726696 1017402413 /nfs/dbraw/zinc/40/24/13/1017402413.db2.gz YBRZFCBDVYXABF-GFCCVEGCSA-N -1 0 305.352 -0.015 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCC1CC1 ZINC001598744330 1017403394 /nfs/dbraw/zinc/40/33/94/1017403394.db2.gz OQSOYGFJNCUFFV-ZJUUUORDSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC001598744211 1017403617 /nfs/dbraw/zinc/40/36/17/1017403617.db2.gz NVOAILDCJZYFJL-QWRGUYRKSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCC1CC1 ZINC001598744326 1017403803 /nfs/dbraw/zinc/40/38/03/1017403803.db2.gz OQSOYGFJNCUFFV-UWVGGRQHSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1[C@H](O)CCCN1S(=O)(=O)CCCC(=O)[O-] ZINC001598744999 1017403874 /nfs/dbraw/zinc/40/38/74/1017403874.db2.gz RDIYVXFCYOWYTA-SCZZXKLOSA-N -1 0 309.340 -0.821 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001598749012 1017405213 /nfs/dbraw/zinc/40/52/13/1017405213.db2.gz CPHKLZABPKEFDU-YUMQZZPRSA-N -1 0 324.289 -0.143 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)Cc1cnn(C)c1 ZINC001598745209 1017405242 /nfs/dbraw/zinc/40/52/42/1017405242.db2.gz KMLXECKHQQDGIM-WDEREUQCSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cncc(OC)n1 ZINC001598748425 1017405374 /nfs/dbraw/zinc/40/53/74/1017405374.db2.gz AQJKCTOMBVQHRR-WPRPVWTQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H]1CSC(=O)N1 ZINC001598751419 1017405594 /nfs/dbraw/zinc/40/55/94/1017405594.db2.gz VHRITUBLBTUUGR-PRJMDXOYSA-N -1 0 316.335 -0.324 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCc1nnc[nH]1 ZINC001598748586 1017405599 /nfs/dbraw/zinc/40/55/99/1017405599.db2.gz IIXIKUWUKAVLMX-DTWKUNHWSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1NC(=O)O[C@@H]1C ZINC001598750192 1017405763 /nfs/dbraw/zinc/40/57/63/1017405763.db2.gz PUUICHKKQYUICT-LURQLKTLSA-N -1 0 314.294 -0.652 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1CSC(=O)N1 ZINC001598751417 1017405805 /nfs/dbraw/zinc/40/58/05/1017405805.db2.gz VHRITUBLBTUUGR-CSMHCCOUSA-N -1 0 316.335 -0.324 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CC(=O)NCC(=O)[O-])O1 ZINC001598756933 1017407159 /nfs/dbraw/zinc/40/71/59/1017407159.db2.gz BDYFDSBNKXEEES-VLEAKVRGSA-N -1 0 314.338 -0.629 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCc1cn(C)nn1 ZINC001598752940 1017407220 /nfs/dbraw/zinc/40/72/20/1017407220.db2.gz ZFBBOXIPWNOBRF-GXSJLCMTSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC001598751609 1017407800 /nfs/dbraw/zinc/40/78/00/1017407800.db2.gz WBYHJPJQJMIKBO-BBBLOLIVSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C(=O)NCC(F)F ZINC001598761130 1017407931 /nfs/dbraw/zinc/40/79/31/1017407931.db2.gz UDCMYCHRWFTNEL-RQJHMYQMSA-N -1 0 322.264 -0.768 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001598758253 1017408380 /nfs/dbraw/zinc/40/83/80/1017408380.db2.gz SDWFSBHDLOEMFH-AATLWQCWSA-N -1 0 321.351 -0.965 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@H]1CSC(=O)N1 ZINC001598751420 1017408413 /nfs/dbraw/zinc/40/84/13/1017408413.db2.gz VHRITUBLBTUUGR-RNJXMRFFSA-N -1 0 316.335 -0.324 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CN(C)C(=O)OC ZINC001598764486 1017409440 /nfs/dbraw/zinc/40/94/40/1017409440.db2.gz BCGWPLWXSHRIHR-BDAKNGLRSA-N -1 0 316.310 -0.451 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC)CCN1CC(=O)NCCC(=O)[O-] ZINC001598764553 1017409529 /nfs/dbraw/zinc/40/95/29/1017409529.db2.gz HVOFKPKDRAELBO-ZJUUUORDSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc[n+]([O-])c1 ZINC001598766172 1017409843 /nfs/dbraw/zinc/40/98/43/1017409843.db2.gz CJHQQCCGKRHLLE-QWRGUYRKSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(C)(C)OC(C)=O)C[C@@H]1C(=O)[O-] ZINC001598803060 1017424493 /nfs/dbraw/zinc/42/44/93/1017424493.db2.gz IFEWSNBOLWIDRB-IUCAKERBSA-N -1 0 301.295 -0.340 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CN(C)C(=O)OC ZINC001598764489 1017410591 /nfs/dbraw/zinc/41/05/91/1017410591.db2.gz BCGWPLWXSHRIHR-RKDXNWHRSA-N -1 0 316.310 -0.451 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(OC)nn1 ZINC001598773167 1017411761 /nfs/dbraw/zinc/41/17/61/1017411761.db2.gz YXVBDRZOOSQSQA-PSASIEDQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001598768697 1017411834 /nfs/dbraw/zinc/41/18/34/1017411834.db2.gz RQZPTVDHSBXBQD-XVKPBYJWSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cncc(OC)n2)C1 ZINC001598773444 1017412092 /nfs/dbraw/zinc/41/20/92/1017412092.db2.gz AJLKEHIUDQXABK-WCBMZHEXSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(=O)n(C)cn1 ZINC001598768818 1017412140 /nfs/dbraw/zinc/41/21/40/1017412140.db2.gz SKKZJVGBLXPLNF-SCZZXKLOSA-N -1 0 323.305 -0.741 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C[C@H](O)CC1(O)CCC1 ZINC001598771230 1017412398 /nfs/dbraw/zinc/41/23/98/1017412398.db2.gz RCPIZXNGOQUFMM-TUAOUCFPSA-N -1 0 315.366 -0.009 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001598769256 1017412667 /nfs/dbraw/zinc/41/26/67/1017412667.db2.gz ODVNYEDKWGCYQH-GMSGAONNSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(CC(=O)Nc2ccncc2)C1 ZINC001598775279 1017413818 /nfs/dbraw/zinc/41/38/18/1017413818.db2.gz HXWMVFPOZIGXCI-CMPLNLGQSA-N -1 0 321.333 -0.220 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cn(C)ccc1=O ZINC001598774601 1017414015 /nfs/dbraw/zinc/41/40/15/1017414015.db2.gz ZIHMIPJSRPQTEE-GXSJLCMTSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1nnn(C)c1C ZINC001598774586 1017414508 /nfs/dbraw/zinc/41/45/08/1017414508.db2.gz ZFVFKENHFNAVTG-RKDXNWHRSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(CC(=O)N=S(C)(C)=O)C1 ZINC001598774092 1017414955 /nfs/dbraw/zinc/41/49/55/1017414955.db2.gz CQHPEYFMCZKRRW-RKDXNWHRSA-N -1 0 320.367 -0.421 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cn(C)ccc2=O)C1 ZINC001598773569 1017415013 /nfs/dbraw/zinc/41/50/13/1017415013.db2.gz BDDSEMJRMXWMCL-KOLCDFICSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001598774082 1017415171 /nfs/dbraw/zinc/41/51/71/1017415171.db2.gz PPOAOOSERZPLBA-XCBNKYQSSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCCn2cncn2)C1 ZINC001598775965 1017415207 /nfs/dbraw/zinc/41/52/07/1017415207.db2.gz NZYKRDDWEGAGEO-GHMZBOCLSA-N -1 0 324.337 -0.077 20 0 DBADRM Cc1c(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)nnn1C ZINC001497551299 1017415911 /nfs/dbraw/zinc/41/59/11/1017415911.db2.gz BPLRSKBVKCSVOM-ONEGZZNKSA-N -1 0 306.330 -0.977 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc[n+]([O-])c2)C1 ZINC001598782687 1017416175 /nfs/dbraw/zinc/41/61/75/1017416175.db2.gz ZXJLKJOYOIPWIM-MNOVXSKESA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001598782522 1017416253 /nfs/dbraw/zinc/41/62/53/1017416253.db2.gz QDNWSLJADNSPAX-DJLDLDEBSA-N -1 0 321.351 -0.716 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CN(C)C(=O)OC)C1 ZINC001598779217 1017416452 /nfs/dbraw/zinc/41/64/52/1017416452.db2.gz VZZDWUURDTURQB-RKDXNWHRSA-N -1 0 316.310 -0.451 20 0 DBADRM Cc1c(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)nnn1C ZINC001497551297 1017416659 /nfs/dbraw/zinc/41/66/59/1017416659.db2.gz BPLRSKBVKCSVOM-ARJAWSKDSA-N -1 0 306.330 -0.977 20 0 DBADRM COC(=O)C1CCC(NC(=O)c2cnnn2C)(C(=O)[O-])CC1 ZINC001598784311 1017416888 /nfs/dbraw/zinc/41/68/88/1017416888.db2.gz IAVGFXLKICMJQI-UHFFFAOYSA-N -1 0 310.310 -0.269 20 0 DBADRM COC(=O)C1CCC(NC(=O)[C@H]2CCC(=O)N2)(C(=O)[O-])CC1 ZINC001598786167 1017417387 /nfs/dbraw/zinc/41/73/87/1017417387.db2.gz BQTXAEURGCHUGU-ZYTOWTHASA-N -1 0 312.322 -0.432 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001598778243 1017417707 /nfs/dbraw/zinc/41/77/07/1017417707.db2.gz CYOJFABAHUNPHP-OPRDCNLKSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C\Cn2cncn2)C1 ZINC001598780778 1017417898 /nfs/dbraw/zinc/41/78/98/1017417898.db2.gz LAVZRWVZRUGQQS-UZAOFVRNSA-N -1 0 322.321 -0.301 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H](O)c2ccccn2)[C@H](C(=O)[O-])C1 ZINC001598790700 1017418454 /nfs/dbraw/zinc/41/84/54/1017418454.db2.gz RCMGWIGUDQVQRI-USWWRNFRSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C[C@H](C)NC(N)=O)[C@@H](C(=O)[O-])C1 ZINC001598791929 1017418505 /nfs/dbraw/zinc/41/85/05/1017418505.db2.gz KYBTTXQTYQBJMT-DJLDLDEBSA-N -1 0 315.326 -0.702 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1=O ZINC001598790159 1017419078 /nfs/dbraw/zinc/41/90/78/1017419078.db2.gz OSUNPKQTRDBJNI-GUBZILKMSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N[C@H](C)/C=C/C(=O)[O-])C1=O ZINC001598790154 1017419120 /nfs/dbraw/zinc/41/91/20/1017419120.db2.gz OPWVRJRBBWXXFJ-GMCFVEKCSA-N -1 0 312.322 -0.457 20 0 DBADRM COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@H](Cn2cncn2)C(=O)[O-])C1 ZINC001598791290 1017419549 /nfs/dbraw/zinc/41/95/49/1017419549.db2.gz OWLNYBPWZYCNBP-GMTAPVOTSA-N -1 0 324.337 -0.173 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)O[C@@H](C(=O)[O-])C2CC2)C1=O ZINC001598789298 1017419872 /nfs/dbraw/zinc/41/98/72/1017419872.db2.gz LFASATKPGKKWCI-GXSJLCMTSA-N -1 0 313.306 -0.196 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCc2cnn(C)n2)[C@@H](C(=O)[O-])C1 ZINC001598791174 1017419932 /nfs/dbraw/zinc/41/99/32/1017419932.db2.gz HTUOQKQWXZWTTK-GXSJLCMTSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@@H]1CCN(CCCS(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC001598797614 1017421162 /nfs/dbraw/zinc/42/11/62/1017421162.db2.gz BTCFVSIBGGYFFY-NXEZZACHSA-N -1 0 307.368 -0.241 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCCCC(N)=O)[C@H](C(=O)[O-])C1 ZINC001598793456 1017421114 /nfs/dbraw/zinc/42/11/14/1017421114.db2.gz QDZVUZIAGJHILR-UWVGGRQHSA-N -1 0 314.338 -0.103 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)[C@@H](C(=O)[O-])C1 ZINC001598795811 1017421270 /nfs/dbraw/zinc/42/12/70/1017421270.db2.gz ZHNWTXMBTVBHIU-GXSJLCMTSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)C1CCN(C(=O)CN[C@]2(C(=O)[O-])CCOC2)CC1 ZINC001598794941 1017421883 /nfs/dbraw/zinc/42/18/83/1017421883.db2.gz STACYJCBFKGRBK-CQSZACIVSA-N -1 0 314.338 -0.769 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cc(OC)ncn2)[C@@H](C(=O)[O-])C1 ZINC001598795087 1017421970 /nfs/dbraw/zinc/42/19/70/1017421970.db2.gz CMSAXPMAZDNMIC-PSASIEDQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)[C@@H]1[C@H](C)[C@H]1C(=O)N1CC[C@@H]1C(=O)[O-] ZINC001598801966 1017422459 /nfs/dbraw/zinc/42/24/59/1017422459.db2.gz ASOGBAKMYSNXHV-KAMPLNKDSA-N -1 0 324.333 -0.672 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)[C@H](C(=O)[O-])C1 ZINC001598793990 1017422505 /nfs/dbraw/zinc/42/25/05/1017422505.db2.gz RUTKIUURKLKSJH-UTLUCORTSA-N -1 0 312.322 -0.528 20 0 DBADRM C[C@@H](C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001497563731 1017423174 /nfs/dbraw/zinc/42/31/74/1017423174.db2.gz TWMXLHHISMXYIX-HPOULIHZSA-N -1 0 306.330 -0.875 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)C[C@@H]1C(=O)[O-] ZINC001598805323 1017423575 /nfs/dbraw/zinc/42/35/75/1017423575.db2.gz DAOUVKCVBADXRZ-KXUCPTDWSA-N -1 0 322.321 -0.827 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCC[C@@H]2CCOC2)C[C@@H]1C(=O)[O-] ZINC001598806095 1017423634 /nfs/dbraw/zinc/42/36/34/1017423634.db2.gz BKXYQTUNWMGFSD-OUAUKWLOSA-N -1 0 314.338 -0.072 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2CC=CCC2)C[C@@H]1C(=O)[O-] ZINC001598802597 1017424185 /nfs/dbraw/zinc/42/41/85/1017424185.db2.gz FSLJDJCXNVRFOE-UWVGGRQHSA-N -1 0 310.306 -0.893 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)OC2=O)C[C@@H]1C(=O)[O-] ZINC001598805072 1017424354 /nfs/dbraw/zinc/42/43/54/1017424354.db2.gz BEKPBFHJLANLID-BZNPZCIMSA-N -1 0 314.294 -0.794 20 0 DBADRM COC(=O)[C@H]1CCN2C(=O)N(C[C@H]3C[C@H]3C(=O)[O-])C(=O)[C@H]2C1 ZINC001598803112 1017424426 /nfs/dbraw/zinc/42/44/26/1017424426.db2.gz IQDHLWYOZAETJS-SGIHWFKDSA-N -1 0 310.306 -0.077 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC2(C)C)C[C@H]1C(=O)[O-] ZINC001598802539 1017424483 /nfs/dbraw/zinc/42/44/83/1017424483.db2.gz DGQGLUDLCGRNHZ-RKDXNWHRSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H](C)CC(=O)[O-])C[C@H]1C(=O)OC ZINC001598804070 1017424531 /nfs/dbraw/zinc/42/45/31/1017424531.db2.gz SDTVFYVWVKCIQN-IWSPIJDZSA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)[C@H]1C[C@H]1C(=O)N1CC[C@H]1C(=O)[O-] ZINC001598804723 1017424805 /nfs/dbraw/zinc/42/48/05/1017424805.db2.gz XOWNHFWSAPXQGP-KATARQTJSA-N -1 0 310.306 -0.918 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCOC[C@H]2C)C[C@H]1C(=O)[O-] ZINC001598809604 1017426269 /nfs/dbraw/zinc/42/62/69/1017426269.db2.gz QRPRXPASNHMQHK-GWOFURMSSA-N -1 0 314.338 -0.073 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CN2CCSC2=O)C[C@H]1C(=O)[O-] ZINC001598807912 1017426702 /nfs/dbraw/zinc/42/67/02/1017426702.db2.gz CDKOJKQSXRYLNJ-SFYZADRCSA-N -1 0 316.335 -0.513 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cc2nnc(C3CC3)[nH]2)C[C@H]1C(=O)[O-] ZINC001598808848 1017426769 /nfs/dbraw/zinc/42/67/69/1017426769.db2.gz OUMLOZHWPFYLBC-BDAKNGLRSA-N -1 0 322.321 -0.443 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@@H]1C(=O)[O-] ZINC001598809980 1017426785 /nfs/dbraw/zinc/42/67/85/1017426785.db2.gz JFSOMEBLMRDVJQ-RYUDHWBXSA-N -1 0 323.349 -0.007 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCn3ncnc32)C[C@H]1C(=O)[O-] ZINC001598807388 1017427083 /nfs/dbraw/zinc/42/70/83/1017427083.db2.gz MJFJWSOKZNDFMS-IVZWLZJFSA-N -1 0 322.321 -0.512 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cc2ccc(C(=O)[O-])nc2)CCO1 ZINC001598809644 1017427177 /nfs/dbraw/zinc/42/71/77/1017427177.db2.gz IJJVHDVXGJDRID-LLVKDONJSA-N -1 0 308.290 -0.277 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@@H]1C(=O)[O-] ZINC001598809979 1017427337 /nfs/dbraw/zinc/42/73/37/1017427337.db2.gz JFSOMEBLMRDVJQ-NWDGAFQWSA-N -1 0 323.349 -0.007 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1C(=O)[O-] ZINC001598812059 1017428720 /nfs/dbraw/zinc/42/87/20/1017428720.db2.gz PGPWFJSDBVPXDF-NXEZZACHSA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCc2ccncn2)C[C@@H]1C(=O)[O-] ZINC001598812054 1017428937 /nfs/dbraw/zinc/42/89/37/1017428937.db2.gz PESCGNWQCXLJRW-QWRGUYRKSA-N -1 0 307.306 -0.259 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)c2cnn(C)c2)C[C@@H]1C(=O)[O-] ZINC001598810825 1017429395 /nfs/dbraw/zinc/42/93/95/1017429395.db2.gz WJOMZIXRCRUXBP-INTQDDNPSA-N -1 0 324.337 -0.004 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)C1 ZINC001598812119 1017429422 /nfs/dbraw/zinc/42/94/22/1017429422.db2.gz CBYKJTYVHWMELZ-JXUBOQSCSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)C1 ZINC001598812121 1017429447 /nfs/dbraw/zinc/42/94/47/1017429447.db2.gz CBYKJTYVHWMELZ-RGOKHQFPSA-N -1 0 313.306 -0.482 20 0 DBADRM O=C(CO[C@@H]1CCOC1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497577924 1017429802 /nfs/dbraw/zinc/42/98/02/1017429802.db2.gz FIPPZEMAZRTRDG-TXXBHVLJSA-N -1 0 311.342 -0.922 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCO1 ZINC001598812778 1017429719 /nfs/dbraw/zinc/42/97/19/1017429719.db2.gz DWMRYWLRTPJLRD-PUXPGTEJSA-N -1 0 312.322 -0.177 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598816095 1017430811 /nfs/dbraw/zinc/43/08/11/1017430811.db2.gz JMXQVQUBRTUCRP-GHMZBOCLSA-N -1 0 320.301 -0.269 20 0 DBADRM COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1cc(C(=O)[O-])co1 ZINC001598818317 1017430854 /nfs/dbraw/zinc/43/08/54/1017430854.db2.gz JXXWKQOFBLCGKB-MRVPVSSYSA-N -1 0 310.262 -0.566 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccn(C)c2=O)C[C@@H]1C(=O)[O-] ZINC001598815878 1017430901 /nfs/dbraw/zinc/43/09/01/1017430901.db2.gz PXXVESMBINMLRI-DTWKUNHWSA-N -1 0 323.305 -0.277 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2cncn2C)C[C@H]1C(=O)[O-] ZINC001598815978 1017431100 /nfs/dbraw/zinc/43/11/00/1017431100.db2.gz PMSATGVHOSVCSR-ZJUUUORDSA-N -1 0 310.310 -0.565 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])n(C)n2)CCO1 ZINC001598815487 1017431437 /nfs/dbraw/zinc/43/14/37/1017431437.db2.gz MTWGPHDUIWUWAQ-MRVPVSSYSA-N -1 0 312.282 -0.476 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H]1C(=O)OC ZINC001598816634 1017431554 /nfs/dbraw/zinc/43/15/54/1017431554.db2.gz SQEXPNVQTZMLIK-UTINFBMNSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccn(C)c2=O)C[C@H]1C(=O)[O-] ZINC001598815880 1017432163 /nfs/dbraw/zinc/43/21/63/1017432163.db2.gz PXXVESMBINMLRI-RKDXNWHRSA-N -1 0 323.305 -0.277 20 0 DBADRM COC(=O)[C@@H]1CN(CN2C(=O)CC(C)(C)C2=O)C[C@H]1C(=O)[O-] ZINC001598822816 1017433359 /nfs/dbraw/zinc/43/33/59/1017433359.db2.gz SWJASDGIAWFZJC-RKDXNWHRSA-N -1 0 312.322 -0.465 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])n2)CCO1 ZINC001598822818 1017433889 /nfs/dbraw/zinc/43/38/89/1017433889.db2.gz SWWYFPXMRULXEG-SNVBAGLBSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@H]1CN(C)CCN(C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC001598820946 1017434569 /nfs/dbraw/zinc/43/45/69/1017434569.db2.gz WWZTZLBWQQBBAG-JTQLQIEISA-N -1 0 321.333 -0.043 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497590099 1017435080 /nfs/dbraw/zinc/43/50/80/1017435080.db2.gz NFWUZEMEELNFGY-WBSSQXGSSA-N -1 0 310.358 -0.813 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1C(=O)[O-] ZINC001598822894 1017434908 /nfs/dbraw/zinc/43/49/08/1017434908.db2.gz UFKIEGBAPIIOTE-ZJUUUORDSA-N -1 0 313.285 -0.202 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnc3[nH]cnc3c2)C[C@@H]1C(=O)[O-] ZINC001598822672 1017435117 /nfs/dbraw/zinc/43/51/17/1017435117.db2.gz RSHGPMLQHZNZRV-DTWKUNHWSA-N -1 0 318.289 -0.096 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cnn3ncccc23)C[C@@H]1C(=O)[O-] ZINC001598820894 1017435416 /nfs/dbraw/zinc/43/54/16/1017435416.db2.gz IWBGCOPSTRRFNH-UWVGGRQHSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)N(C)C(C)C)C[C@@H]1C(=O)[O-] ZINC001598824579 1017436850 /nfs/dbraw/zinc/43/68/50/1017436850.db2.gz HPKBGLJELCAFHO-IUCAKERBSA-N -1 0 308.356 -0.623 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001598824823 1017436965 /nfs/dbraw/zinc/43/69/65/1017436965.db2.gz AZTUTNPTJNSMFE-UTINFBMNSA-N -1 0 301.295 -0.735 20 0 DBADRM COC(=O)[C@H]1CN(c2ccc3nnc(C)n3n2)C[C@H]1C(=O)[O-] ZINC001598827700 1017437095 /nfs/dbraw/zinc/43/70/95/1017437095.db2.gz OGOGPNWLDXXGQZ-BDAKNGLRSA-N -1 0 305.294 -0.257 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)N(C)CC2CC2)C[C@@H]1C(=O)[O-] ZINC001598826115 1017437234 /nfs/dbraw/zinc/43/72/34/1017437234.db2.gz MFRQJTNXLDCQEL-UWVGGRQHSA-N -1 0 320.367 -0.621 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)N(C)CC(C)C)C[C@H]1C(=O)[O-] ZINC001598825412 1017437715 /nfs/dbraw/zinc/43/77/15/1017437715.db2.gz KKJVNACBDJMZJD-NXEZZACHSA-N -1 0 322.383 -0.375 20 0 DBADRM COC(=O)[C@@H]1CSCCN1S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001598826335 1017437769 /nfs/dbraw/zinc/43/77/69/1017437769.db2.gz SGZDXZDIOUJIAE-SFYZADRCSA-N -1 0 311.381 -0.373 20 0 DBADRM CCc1c[nH]c(CC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)n1 ZINC001497601303 1017438752 /nfs/dbraw/zinc/43/87/52/1017438752.db2.gz QHGDHHXIMBDSOT-ONEGZZNKSA-N -1 0 319.369 -0.200 20 0 DBADRM COC(=O)C[C@@H](NC(=O)/C=C/c1cnc(OC)nc1)C(=O)[O-] ZINC001598836366 1017439719 /nfs/dbraw/zinc/43/97/19/1017439719.db2.gz ATGLRTSJNNKCDK-CDAZIORVSA-N -1 0 309.278 -0.369 20 0 DBADRM COC(=O)[C@H]1CN(c2ccc3nc(C)nn3n2)C[C@H]1C(=O)[O-] ZINC001598828740 1017439912 /nfs/dbraw/zinc/43/99/12/1017439912.db2.gz SCMIWPXZYFWMCY-BDAKNGLRSA-N -1 0 305.294 -0.257 20 0 DBADRM COC(=O)[C@H]1CN(CN2CC(F)(F)CC2=O)C[C@H]1C(=O)[O-] ZINC001598829513 1017440634 /nfs/dbraw/zinc/44/06/34/1017440634.db2.gz SNKLRHODQIKPFX-SFYZADRCSA-N -1 0 306.265 -0.383 20 0 DBADRM COC(=O)C[C@H](C)C(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-] ZINC001598836297 1017440730 /nfs/dbraw/zinc/44/07/30/1017440730.db2.gz ZJCKIXFLFWCFSM-LURJTMIESA-N -1 0 315.282 -0.383 20 0 DBADRM COC(=O)C[C@@H](CNS(=O)(=O)N(C)CCC(=O)[O-])C1CC1 ZINC001598837840 1017442459 /nfs/dbraw/zinc/44/24/59/1017442459.db2.gz OGORYBAJULEEIP-JTQLQIEISA-N -1 0 322.383 -0.183 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CC1 ZINC001598839989 1017442371 /nfs/dbraw/zinc/44/23/71/1017442371.db2.gz MHZMZYOUWGSTLV-QMMMGPOBSA-N -1 0 317.323 -0.272 20 0 DBADRM COC(=O)C[C@@H](NC(=O)C1CCN(C(=O)OC)CC1)C(=O)[O-] ZINC001598837210 1017443024 /nfs/dbraw/zinc/44/30/24/1017443024.db2.gz KYXSZCUFVUCGRH-SECBINFHSA-N -1 0 316.310 -0.403 20 0 DBADRM COC(=O)C[C@H](O)CNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598842074 1017443862 /nfs/dbraw/zinc/44/38/62/1017443862.db2.gz WWKGZADRWXFIKY-GUBZILKMSA-N -1 0 323.367 -0.527 20 0 DBADRM COC(=O)C[C@@H]1CN(Cn2nc(C(=O)[O-])ccc2=O)CCO1 ZINC001598844936 1017444196 /nfs/dbraw/zinc/44/41/96/1017444196.db2.gz JAUKAOPIJWOBJF-SECBINFHSA-N -1 0 311.294 -0.837 20 0 DBADRM COC(=O)C[C@]1(NC(=O)Cn2cc(C(=O)[O-])cn2)CCOC1 ZINC001598843232 1017444214 /nfs/dbraw/zinc/44/42/14/1017444214.db2.gz QTOHISXXQZZCQB-CYBMUJFWSA-N -1 0 311.294 -0.580 20 0 DBADRM COC(=O)C[C@H](O)CNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001598842073 1017444322 /nfs/dbraw/zinc/44/43/22/1017444322.db2.gz WWKGZADRWXFIKY-AEJSXWLSSA-N -1 0 323.367 -0.527 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001598845424 1017444368 /nfs/dbraw/zinc/44/43/68/1017444368.db2.gz GYXIFLCMGCQJPN-GXSJLCMTSA-N -1 0 312.322 -0.503 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1oc(C(=O)[O-])cc1C ZINC001598845613 1017444884 /nfs/dbraw/zinc/44/48/84/1017444884.db2.gz JAMCSUXRQMMCRH-QMMMGPOBSA-N -1 0 324.289 -0.210 20 0 DBADRM COC(=O)C[C@@H]1CSCCN1CN1C[C@@H](C(=O)[O-])CC1=O ZINC001598845020 1017445299 /nfs/dbraw/zinc/44/52/99/1017445299.db2.gz XYMWMSKIKBMHOB-VHSXEESVSA-N -1 0 316.379 -0.143 20 0 DBADRM COC(=O)CC1(CNC(=O)COCC(=O)[O-])CCOCC1 ZINC001598842254 1017445417 /nfs/dbraw/zinc/44/54/17/1017445417.db2.gz YAYMBUCOLIBDQE-UHFFFAOYSA-N -1 0 303.311 -0.436 20 0 DBADRM COC(=O)CCCc1nc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])no1 ZINC001598852745 1017446781 /nfs/dbraw/zinc/44/67/81/1017446781.db2.gz BAMBWJBZKFSHNS-DTWKUNHWSA-N -1 0 313.310 -0.415 20 0 DBADRM COC(=O)CCCS(=O)(=O)NCc1nc(C(=O)[O-])co1 ZINC001598852571 1017448744 /nfs/dbraw/zinc/44/87/44/1017448744.db2.gz UYZFUJSTMISIMK-UHFFFAOYSA-N -1 0 306.296 -0.255 20 0 DBADRM COC(=O)CCCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001598850233 1017447371 /nfs/dbraw/zinc/44/73/71/1017447371.db2.gz FQSYXBODITWSGS-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)CC[C@@]1(C)NC(=O)N(CC(=O)CCC(=O)[O-])C1=O ZINC001598849520 1017447399 /nfs/dbraw/zinc/44/73/99/1017447399.db2.gz PJRJPFBEYOGLRP-CYBMUJFWSA-N -1 0 314.294 -0.316 20 0 DBADRM COC(=O)CCCC(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-] ZINC001598850306 1017447676 /nfs/dbraw/zinc/44/76/76/1017447676.db2.gz IKWHFSCRHDWWEN-UHFFFAOYSA-N -1 0 315.282 -0.239 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001598852964 1017448785 /nfs/dbraw/zinc/44/87/85/1017448785.db2.gz QLGLETVWUAFJMO-UHFFFAOYSA-N -1 0 304.324 -0.093 20 0 DBADRM COC(=O)CCN1CC[C@@H](Nc2ccn(CC(=O)[O-])n2)C1=O ZINC001598854320 1017449323 /nfs/dbraw/zinc/44/93/23/1017449323.db2.gz WWBDLBANJLAJRS-SECBINFHSA-N -1 0 310.310 -0.456 20 0 DBADRM COC(=O)CCNC(=O)CN1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC001598854918 1017449387 /nfs/dbraw/zinc/44/93/87/1017449387.db2.gz PIGSLQQTEWNXBQ-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)/C=C\c1ccc(C(N)=O)o1)C(=O)[O-] ZINC001598855971 1017449747 /nfs/dbraw/zinc/44/97/47/1017449747.db2.gz PJNGRMSSKFEYDU-JVBZPZKUSA-N -1 0 324.289 -0.086 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CCCNC(=O)OC)C(=O)[O-] ZINC001598856050 1017450075 /nfs/dbraw/zinc/45/00/75/1017450075.db2.gz IDGRSYIWDKOYRV-MRVPVSSYSA-N -1 0 304.299 -0.355 20 0 DBADRM COC(=O)CCN(CC(OC)OC)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598855391 1017450118 /nfs/dbraw/zinc/45/01/18/1017450118.db2.gz SBUITHWBUIDYQN-DTWKUNHWSA-N -1 0 303.311 -0.282 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CCc2nnc(C)n2C1)C(=O)[O-] ZINC001598856106 1017450673 /nfs/dbraw/zinc/45/06/73/1017450673.db2.gz QWWPOAGLTVQKFO-VHSXEESVSA-N -1 0 324.337 -0.328 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)/C=C1\SCC(=O)N1C)C(=O)[O-] ZINC001598855177 1017451387 /nfs/dbraw/zinc/45/13/87/1017451387.db2.gz GIKCFOWXQMPMIF-SUKXWOPLSA-N -1 0 316.335 -0.444 20 0 DBADRM COC(=O)CCN1CC[C@@H](N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1=O ZINC001598854336 1017451459 /nfs/dbraw/zinc/45/14/59/1017451459.db2.gz XBYOTNDWAWQHHV-MXWKQRLJSA-N -1 0 314.338 -0.676 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCNC(=O)OC(C)(C)C ZINC001598861177 1017452570 /nfs/dbraw/zinc/45/25/70/1017452570.db2.gz ZLGZFVRGZMMDJC-UHFFFAOYSA-N -1 0 318.326 -0.013 20 0 DBADRM COC(=O)CCc1nc(Cn2nc(C(=O)[O-])ccc2=O)no1 ZINC001598858894 1017452730 /nfs/dbraw/zinc/45/27/30/1017452730.db2.gz SFGAIJHDCUOHHE-UHFFFAOYSA-N -1 0 308.250 -0.522 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc2n[nH]c(=S)n2c1 ZINC001598861748 1017453149 /nfs/dbraw/zinc/45/31/49/1017453149.db2.gz KKYIEGMXKPJXNN-UHFFFAOYSA-N -1 0 324.318 -0.282 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)C1CCN(C(C)=O)CC1 ZINC001598861101 1017453183 /nfs/dbraw/zinc/45/31/83/1017453183.db2.gz VXRLYCZSXWUECQ-UHFFFAOYSA-N -1 0 300.311 -0.669 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001598860891 1017453243 /nfs/dbraw/zinc/45/32/43/1017453243.db2.gz UNZPRFXLQPNCRN-CYBMUJFWSA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)CN(C)CCNC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1 ZINC001598859552 1017453514 /nfs/dbraw/zinc/45/35/14/1017453514.db2.gz GWHNJGJYWTXWIX-QXEWZRGKSA-N -1 0 302.327 -0.914 20 0 DBADRM COC(=O)CN(C)C(=O)CCN1CC(F)(F)C[C@H]1C(=O)[O-] ZINC001598859738 1017453647 /nfs/dbraw/zinc/45/36/47/1017453647.db2.gz QXRWCJXXEOTUDS-QMMMGPOBSA-N -1 0 308.281 -0.198 20 0 DBADRM COC(=O)CN(C(=O)Cn1cccc(C(=O)[O-])c1=O)C(C)C ZINC001598858298 1017453773 /nfs/dbraw/zinc/45/37/73/1017453773.db2.gz GWPVUNSUJHIYEH-UHFFFAOYSA-N -1 0 310.306 -0.044 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)/C=C/COC1CCOCC1 ZINC001598860376 1017454033 /nfs/dbraw/zinc/45/40/33/1017454033.db2.gz JAQRKSUVOXWUCS-NSCUHMNNSA-N -1 0 315.322 -0.176 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC001598861091 1017454221 /nfs/dbraw/zinc/45/42/21/1017454221.db2.gz VTBDBZVENTXKDL-RKDXNWHRSA-N -1 0 300.311 -0.636 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)NCC(=O)OC(C)(C)C ZINC001598863785 1017455247 /nfs/dbraw/zinc/45/52/47/1017455247.db2.gz XYZJCSYGXGFZER-UHFFFAOYSA-N -1 0 318.326 -0.996 20 0 DBADRM COC(=O)CN1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001598863858 1017455963 /nfs/dbraw/zinc/45/59/63/1017455963.db2.gz MEAPIDBOOZKJBH-UHFFFAOYSA-N -1 0 320.367 -0.886 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cn1nc(C)c2c(C)onc2c1=O ZINC001598862903 1017455975 /nfs/dbraw/zinc/45/59/75/1017455975.db2.gz SANSMSRSVRVPLP-UHFFFAOYSA-N -1 0 324.293 -0.482 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccnc2[nH]c(=O)[nH]c21 ZINC001598862088 1017456085 /nfs/dbraw/zinc/45/60/85/1017456085.db2.gz YVOMKMAFTQBRIR-UHFFFAOYSA-N -1 0 308.250 -0.637 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])co1 ZINC001598864315 1017456596 /nfs/dbraw/zinc/45/65/96/1017456596.db2.gz FWCOKBHTSARUQO-VIFPVBQESA-N -1 0 324.289 -0.128 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1Cc1cc(C(=O)[O-])n(C)c1 ZINC001598865747 1017457686 /nfs/dbraw/zinc/45/76/86/1017457686.db2.gz WIBIKBRTYOBSQP-NSHDSACASA-N -1 0 323.349 -0.023 20 0 DBADRM COC(=O)COc1ccc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)cc1 ZINC001598865151 1017457988 /nfs/dbraw/zinc/45/79/88/1017457988.db2.gz IXDKFKOBESGUGX-AVCCJPFPSA-N -1 0 323.301 -0.054 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001598865734 1017458150 /nfs/dbraw/zinc/45/81/50/1017458150.db2.gz WFTWSDNEYFGUGD-UHFFFAOYSA-N -1 0 310.266 -0.810 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1Cc1ccc(C(=O)[O-])n1C ZINC001598865070 1017458222 /nfs/dbraw/zinc/45/82/22/1017458222.db2.gz OURFWJHSGOLICV-NSHDSACASA-N -1 0 323.349 -0.023 20 0 DBADRM COC(=O)COC(=O)[C@@H]1C[C@@H](C)C[C@H]1C(=O)OCC(=O)[O-] ZINC001598865546 1017459019 /nfs/dbraw/zinc/45/90/19/1017459019.db2.gz YUPDWAYCKQBNHH-DJLDLDEBSA-N -1 0 302.279 -0.007 20 0 DBADRM COC(=O)C[C@@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)C(=O)[O-] ZINC001598872298 1017460346 /nfs/dbraw/zinc/46/03/46/1017460346.db2.gz XUYJXVONIVHVFP-SSDOTTSWSA-N -1 0 309.234 -0.392 20 0 DBADRM COC(=O)N(C)CCN(C)[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001598876652 1017460952 /nfs/dbraw/zinc/46/09/52/1017460952.db2.gz HZNHXPHSFFIHHT-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM COC(=O)N(C)CCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001598877279 1017461079 /nfs/dbraw/zinc/46/10/79/1017461079.db2.gz ZLERODSKSMVYCB-IUCAKERBSA-N -1 0 317.342 -0.441 20 0 DBADRM COC(=O)Cc1occc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001598873994 1017461278 /nfs/dbraw/zinc/46/12/78/1017461278.db2.gz LANSGESPGNMVJQ-VIFPVBQESA-N -1 0 324.289 -0.590 20 0 DBADRM COC(=O)Cc1cccc(NC(=O)NCC(=O)NCC(=O)[O-])n1 ZINC001598874447 1017461311 /nfs/dbraw/zinc/46/13/11/1017461311.db2.gz WZWAVXKGQDRVBX-UHFFFAOYSA-N -1 0 324.293 -0.881 20 0 DBADRM COC(=O)N(C)CCCC(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001598876384 1017461563 /nfs/dbraw/zinc/46/15/63/1017461563.db2.gz FCEQFKULZZCMDP-VIFPVBQESA-N -1 0 318.326 -0.203 20 0 DBADRM COC(=O)N(C)CCN1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001598877332 1017461668 /nfs/dbraw/zinc/46/16/68/1017461668.db2.gz DGUYTIUWLSLREM-BDAKNGLRSA-N -1 0 313.310 -0.188 20 0 DBADRM COC(=O)NC1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001598882228 1017463154 /nfs/dbraw/zinc/46/31/54/1017463154.db2.gz SGYHFXKQDGZPHN-WCBMZHEXSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)NCCCC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001598883312 1017463588 /nfs/dbraw/zinc/46/35/88/1017463588.db2.gz KHARUHPYESJLSD-ZDUSSCGKSA-N -1 0 312.326 -0.021 20 0 DBADRM COC(=O)NCCC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598883451 1017463607 /nfs/dbraw/zinc/46/36/07/1017463607.db2.gz QRYXVXQTUKPOSF-QMMMGPOBSA-N -1 0 311.298 -0.504 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)COc1cc(C)on1 ZINC001598890153 1017466232 /nfs/dbraw/zinc/46/62/32/1017466232.db2.gz KFGZTPBEEWOXLG-MRVPVSSYSA-N -1 0 300.267 -0.116 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001598891977 1017468371 /nfs/dbraw/zinc/46/83/71/1017468371.db2.gz YLTFTGZMYZPRKC-VXNVDRBHSA-N -1 0 310.310 -0.253 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCCN(C)C1=O ZINC001598891282 1017468749 /nfs/dbraw/zinc/46/87/49/1017468749.db2.gz FPULNHQYLWYLBB-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cccc(C(N)=O)c1 ZINC001598891888 1017468830 /nfs/dbraw/zinc/46/88/30/1017468830.db2.gz CRLONSLQCPALNV-SNVBAGLBSA-N -1 0 308.290 -0.078 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCc2cncn2C1 ZINC001598891741 1017469380 /nfs/dbraw/zinc/46/93/80/1017469380.db2.gz UJKPNVVEAIGTAU-GXSJLCMTSA-N -1 0 309.322 -0.032 20 0 DBADRM CC(=O)NC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1 ZINC001497695119 1017469977 /nfs/dbraw/zinc/46/99/77/1017469977.db2.gz BVURQQAYLSFCSW-NSHDSACASA-N -1 0 319.321 -0.317 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)O1 ZINC001598897466 1017470415 /nfs/dbraw/zinc/47/04/15/1017470415.db2.gz OLAOKCXHUNINFT-JXUBOQSCSA-N -1 0 301.295 -0.593 20 0 DBADRM COC(=O)[C@@H]1CN(CN(CC(=O)[O-])CC(F)(F)F)C(=O)O1 ZINC001598898708 1017472461 /nfs/dbraw/zinc/47/24/61/1017472461.db2.gz HTVFHCSIYVNAPV-LURJTMIESA-N -1 0 314.216 -0.113 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)O1 ZINC001598898615 1017471904 /nfs/dbraw/zinc/47/19/04/1017471904.db2.gz ZRZYCCQHDCWVAX-YWIQKCBGSA-N -1 0 307.249 -0.211 20 0 DBADRM COC(=O)[C@]1(C)CN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@H]1C ZINC001598908300 1017473425 /nfs/dbraw/zinc/47/34/25/1017473425.db2.gz ODBVAGHQAIUZEV-BXKDBHETSA-N -1 0 322.383 -0.231 20 0 DBADRM COC(=O)[C@H]1CC(F)(F)CN1S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001598906053 1017473999 /nfs/dbraw/zinc/47/39/99/1017473999.db2.gz ZIYSWYMKOLUTAM-NKWVEPMBSA-N -1 0 315.294 -0.081 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)NCCSCC(=O)[O-])C1 ZINC001598906207 1017474873 /nfs/dbraw/zinc/47/48/73/1017474873.db2.gz LNKAAWTXCXUINL-OCAPTIKFSA-N -1 0 311.381 -0.325 20 0 DBADRM COC(=O)[C@H]1C[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001598908896 1017475307 /nfs/dbraw/zinc/47/53/07/1017475307.db2.gz GWSYFHFJQYSPHQ-IZLXSQMJSA-N -1 0 303.296 -0.662 20 0 DBADRM COC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001598907346 1017475414 /nfs/dbraw/zinc/47/54/14/1017475414.db2.gz ZLNBJRHLGQBRNX-VHSXEESVSA-N -1 0 322.383 -0.041 20 0 DBADRM COC(=O)c1cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)c[nH]1 ZINC001598918678 1017476748 /nfs/dbraw/zinc/47/67/48/1017476748.db2.gz XLZRTYCUGXQYBM-DTWKUNHWSA-N -1 0 324.289 -0.253 20 0 DBADRM COC(=O)c1cc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)n(C)n1 ZINC001598919810 1017476927 /nfs/dbraw/zinc/47/69/27/1017476927.db2.gz KQMLIZZGNSMPCZ-ZDUSSCGKSA-N -1 0 311.294 -0.572 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)ccn1 ZINC001598918442 1017477798 /nfs/dbraw/zinc/47/77/98/1017477798.db2.gz VGHKKAOCKMPULS-UHFFFAOYSA-N -1 0 308.290 -0.080 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN1CCS(=O)(=O)CC1 ZINC001598926787 1017477812 /nfs/dbraw/zinc/47/78/12/1017477812.db2.gz VLKXVDRGJIQCRB-UHFFFAOYSA-N -1 0 317.323 -0.944 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC001598926621 1017477897 /nfs/dbraw/zinc/47/78/97/1017477897.db2.gz UDPDUPAQKJXKIE-VROVMSAKSA-N -1 0 323.305 -0.324 20 0 DBADRM COC(=O)c1[nH]cc(C(=O)[O-])c1NC(=O)Cn1ncn(C)c1=O ZINC001598910880 1017478271 /nfs/dbraw/zinc/47/82/71/1017478271.db2.gz ZKJAHTXTRBZZFF-UHFFFAOYSA-N -1 0 323.265 -0.967 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)on1 ZINC001598950839 1017479586 /nfs/dbraw/zinc/47/95/86/1017479586.db2.gz HUYLWKYHWDENMT-RNFRBKRXSA-N -1 0 318.307 -0.198 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)n[nH]1 ZINC001598950667 1017479793 /nfs/dbraw/zinc/47/97/93/1017479793.db2.gz FDBOKGKRBQTDBM-MRVPVSSYSA-N -1 0 303.296 -0.662 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)O)c(C(=O)[O-])s1 ZINC001598953722 1017479964 /nfs/dbraw/zinc/47/99/64/1017479964.db2.gz RYZSAMUSUSAGDZ-RXMQYKEDSA-N -1 0 323.348 -0.108 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C)CC(=O)[O-])n(C)c1 ZINC001598955905 1017480019 /nfs/dbraw/zinc/48/00/19/1017480019.db2.gz UIICKTGTNINYRX-SSDOTTSWSA-N -1 0 304.324 -0.047 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])n[nH]1 ZINC001598954470 1017480849 /nfs/dbraw/zinc/48/08/49/1017480849.db2.gz GESFBGYPWDWSDA-PHDIDXHHSA-N -1 0 303.296 -0.805 20 0 DBADRM CO[C@@H](C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C(=O)OC(C)(C)C ZINC001599027328 1017490385 /nfs/dbraw/zinc/49/03/85/1017490385.db2.gz PYAXXYALGNLDLA-UVPNAGLESA-N -1 0 303.311 -0.563 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](C)O)c(C(=O)[O-])s1 ZINC001598953723 1017481206 /nfs/dbraw/zinc/48/12/06/1017481206.db2.gz RYZSAMUSUSAGDZ-YFKPBYRVSA-N -1 0 323.348 -0.108 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CO)c(C(=O)[O-])s1 ZINC001598953553 1017481573 /nfs/dbraw/zinc/48/15/73/1017481573.db2.gz DQJIHROKJAYDRI-YFKPBYRVSA-N -1 0 323.348 -0.108 20 0 DBADRM COC(=O)c1ccc(NC(=O)NC[C@]2(C(=O)[O-])CCOC2)nn1 ZINC001598979823 1017482887 /nfs/dbraw/zinc/48/28/87/1017482887.db2.gz GTZSXGUJVYMYMV-CYBMUJFWSA-N -1 0 324.293 -0.124 20 0 DBADRM COC(=O)c1ccc(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)nn1 ZINC001598981776 1017483195 /nfs/dbraw/zinc/48/31/95/1017483195.db2.gz VDZLUGXDQGFNGA-MRVPVSSYSA-N -1 0 324.293 -0.029 20 0 DBADRM COC(=O)c1ccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)nn1 ZINC001598979330 1017483255 /nfs/dbraw/zinc/48/32/55/1017483255.db2.gz HQDUFPCFOAGLBM-SFYZADRCSA-N -1 0 324.293 -0.438 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])[nH]1 ZINC001598959712 1017483372 /nfs/dbraw/zinc/48/33/72/1017483372.db2.gz JAWPXIYVIDJCBD-JTQLQIEISA-N -1 0 306.278 -0.050 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])o1 ZINC001598989339 1017483574 /nfs/dbraw/zinc/48/35/74/1017483574.db2.gz PFZGZZGOYIJLCG-IMTBSYHQSA-N -1 0 319.291 -0.413 20 0 DBADRM COC(=O)c1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1F ZINC001598960109 1017483761 /nfs/dbraw/zinc/48/37/61/1017483761.db2.gz SKLBTUVZYIHSGS-UHFFFAOYSA-N -1 0 312.253 -0.457 20 0 DBADRM COC(=O)c1ccc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])nn1 ZINC001598982590 1017484264 /nfs/dbraw/zinc/48/42/64/1017484264.db2.gz QKNXUWGLDHAMHT-SECBINFHSA-N -1 0 308.294 -0.567 20 0 DBADRM COC(=O)c1cccc(=O)n1CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001598991375 1017484485 /nfs/dbraw/zinc/48/44/85/1017484485.db2.gz JYTQDLLGDQSDJI-LBPRGKRZSA-N -1 0 310.306 -0.140 20 0 DBADRM COC(=O)c1cccn(CC(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1=O ZINC001599002161 1017484638 /nfs/dbraw/zinc/48/46/38/1017484638.db2.gz NTQPXTIRUJVLDD-VHSXEESVSA-N -1 0 322.317 -0.044 20 0 DBADRM COC(=O)c1cccn(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c1=O ZINC001599002159 1017484655 /nfs/dbraw/zinc/48/46/55/1017484655.db2.gz NTQPXTIRUJVLDD-UWVGGRQHSA-N -1 0 322.317 -0.044 20 0 DBADRM COC(=O)c1ccc(CNC(=O)N2CC(O)(C(=O)[O-])C2)s1 ZINC001598973272 1017484893 /nfs/dbraw/zinc/48/48/93/1017484893.db2.gz GHJQTDSOBDTWHE-UHFFFAOYSA-N -1 0 314.319 -0.124 20 0 DBADRM COC(=O)c1ccccc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001599002948 1017486335 /nfs/dbraw/zinc/48/63/35/1017486335.db2.gz LZQVUURQGYMMOD-QMMMGPOBSA-N -1 0 324.289 -0.637 20 0 DBADRM COC(=O)c1cn([C@@H]2CCN(C(=O)C3(C(=O)[O-])CC3)C2)nn1 ZINC001599006686 1017486420 /nfs/dbraw/zinc/48/64/20/1017486420.db2.gz VYQIHBQPBOVYQH-MRVPVSSYSA-N -1 0 308.294 -0.297 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])n1 ZINC001599004214 1017486526 /nfs/dbraw/zinc/48/65/26/1017486526.db2.gz GICBCDWDCNIRIG-VIFPVBQESA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)c1ccnc(S(=O)(=O)N2CC[C@@H]2C(=O)[O-])c1 ZINC001599005031 1017486568 /nfs/dbraw/zinc/48/65/68/1017486568.db2.gz UIXDNGCLXLRFTM-MRVPVSSYSA-N -1 0 300.292 -0.284 20 0 DBADRM COC(=O)c1cn(CC(=O)NCc2ccoc2C(=O)[O-])nn1 ZINC001599008265 1017486692 /nfs/dbraw/zinc/48/66/92/1017486692.db2.gz JIYDSQBPIFYRAE-UHFFFAOYSA-N -1 0 308.250 -0.328 20 0 DBADRM COC(=O)c1cncc(C(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC001599009701 1017487142 /nfs/dbraw/zinc/48/71/42/1017487142.db2.gz SXUBVPXSKXYFSG-UHFFFAOYSA-N -1 0 307.306 -0.289 20 0 DBADRM COC(=O)c1ccnc(C(=O)NC2(C(=O)[O-])CC(CO)C2)c1 ZINC001599006054 1017487536 /nfs/dbraw/zinc/48/75/36/1017487536.db2.gz KQXDYNHNPUNVKJ-UHFFFAOYSA-N -1 0 308.290 -0.176 20 0 DBADRM COC(=O)c1ccn(CCCC(=O)N[C@@H](CF)C(=O)[O-])n1 ZINC001599006315 1017487788 /nfs/dbraw/zinc/48/77/88/1017487788.db2.gz PROPSRANQSUBFK-VIFPVBQESA-N -1 0 301.274 -0.011 20 0 DBADRM COC(=O)c1cncc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])c1 ZINC001599011537 1017488907 /nfs/dbraw/zinc/48/89/07/1017488907.db2.gz YYRSOCFFWPODDS-QMMMGPOBSA-N -1 0 306.271 -0.431 20 0 DBADRM COC(=O)c1coc(C(=O)NCCC(=O)NCCC(=O)[O-])c1 ZINC001599013516 1017489333 /nfs/dbraw/zinc/48/93/33/1017489333.db2.gz SSZKFXFLTMUXBS-UHFFFAOYSA-N -1 0 312.278 -0.223 20 0 DBADRM COC(=O)c1coc(C(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC001599012245 1017489431 /nfs/dbraw/zinc/48/94/31/1017489431.db2.gz DEMWIDFPACFMOY-UHFFFAOYSA-N -1 0 308.250 -0.214 20 0 DBADRM CO[C@H](C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)c1cnn(C)c1 ZINC001599023385 1017489509 /nfs/dbraw/zinc/48/95/09/1017489509.db2.gz GYKFWFODHIBZPL-SMDDNHRTSA-N -1 0 322.321 -0.060 20 0 DBADRM CO[C@H](C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C(=O)OC(C)(C)C ZINC001599027327 1017489823 /nfs/dbraw/zinc/48/98/23/1017489823.db2.gz PYAXXYALGNLDLA-RBDZCENOSA-N -1 0 303.311 -0.563 20 0 DBADRM COC(=O)c1n[nH]cc1NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001599015596 1017489885 /nfs/dbraw/zinc/48/98/85/1017489885.db2.gz WIVKHRKRBIAXDH-UHFFFAOYSA-N -1 0 320.261 -0.305 20 0 DBADRM CO[C@@H](C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)c1cnn(C)c1 ZINC001599024328 1017490054 /nfs/dbraw/zinc/49/00/54/1017490054.db2.gz FOHHZQAVLVACHR-VXGBXAGGSA-N -1 0 311.338 -0.208 20 0 DBADRM CO[C@@H](C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1CCC1 ZINC001599025148 1017490088 /nfs/dbraw/zinc/49/00/88/1017490088.db2.gz JEYZLGXORMMYMW-SNVBAGLBSA-N -1 0 319.379 -0.050 20 0 DBADRM COC(=O)c1ncoc1CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001599016564 1017490141 /nfs/dbraw/zinc/49/01/41/1017490141.db2.gz BEMXNLMWZDXWOG-BRDIYROLSA-N -1 0 312.278 -0.044 20 0 DBADRM CO[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])[C@H]1CCOC1 ZINC001599023420 1017490336 /nfs/dbraw/zinc/49/03/36/1017490336.db2.gz HTVJEIWSROBXGG-NHCYSSNCSA-N -1 0 314.338 -0.770 20 0 DBADRM COC(=O)c1cncc(N(CCN2CCOCC2)CC(=O)[O-])n1 ZINC001599010694 1017490538 /nfs/dbraw/zinc/49/05/38/1017490538.db2.gz CQRHXQGEGKNZHB-UHFFFAOYSA-N -1 0 324.337 -0.514 20 0 DBADRM CO[C@H](C(=O)OC(C)(C)C)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001599028240 1017492393 /nfs/dbraw/zinc/49/23/93/1017492393.db2.gz AUELWPCEPUKYHH-GUBZILKMSA-N -1 0 317.338 -0.220 20 0 DBADRM CO[C@H](C(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001599028238 1017492857 /nfs/dbraw/zinc/49/28/57/1017492857.db2.gz AUELWPCEPUKYHH-BBBLOLIVSA-N -1 0 317.338 -0.220 20 0 DBADRM CO[C@@](C)(CO)CNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001599034859 1017492889 /nfs/dbraw/zinc/49/28/89/1017492889.db2.gz NWBHBHCLOKSUSA-GFCCVEGCSA-N -1 0 316.335 -0.102 20 0 DBADRM CO[C@](C)(CO)CNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001599034417 1017492991 /nfs/dbraw/zinc/49/29/91/1017492991.db2.gz GMIMEHFGHNRKNC-ZDUSSCGKSA-N -1 0 313.310 -0.527 20 0 DBADRM CO[C@H](C(=O)OC(C)(C)C)C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001599031295 1017493027 /nfs/dbraw/zinc/49/30/27/1017493027.db2.gz YFYLKXOHNRNCIT-SDBXPKJASA-N -1 0 303.311 -0.609 20 0 DBADRM CO[C@@](C)(CO)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001599034386 1017493503 /nfs/dbraw/zinc/49/35/03/1017493503.db2.gz FHSHTLIYVROUPB-CQSZACIVSA-N -1 0 310.306 -0.163 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@H](CO)Nc1ncc(C(=O)[O-])cn1 ZINC001599038666 1017494277 /nfs/dbraw/zinc/49/42/77/1017494277.db2.gz RVFXLZRMCJXTPI-WCBMZHEXSA-N -1 0 312.326 -0.511 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)C[C@H]1COC(=O)C1)OC ZINC001599046717 1017494523 /nfs/dbraw/zinc/49/45/23/1017494523.db2.gz LKSVGTOHTAFLDN-SECBINFHSA-N -1 0 303.311 -0.138 20 0 DBADRM CO[C@@H](C)c1nsc(NC(=O)NCC(=O)NCC(=O)[O-])n1 ZINC001599041692 1017495916 /nfs/dbraw/zinc/49/59/16/1017495916.db2.gz AXKNAAVLDCTHKO-YFKPBYRVSA-N -1 0 317.327 -0.432 20 0 DBADRM CO[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001599036879 1017496182 /nfs/dbraw/zinc/49/61/82/1017496182.db2.gz YJAXHTLSMZCPIY-OPRDCNLKSA-N -1 0 308.338 -0.062 20 0 DBADRM CO[C@](C)([C@H](C)NC(=O)C(=O)NC[C@H](F)C(=O)[O-])C1CC1 ZINC001599035540 1017496275 /nfs/dbraw/zinc/49/62/75/1017496275.db2.gz OXNNPVXAMKWKKI-DXVIDONBSA-N -1 0 304.318 -0.155 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)C1CN(C(C)=O)C1)OC ZINC001599046575 1017496307 /nfs/dbraw/zinc/49/63/07/1017496307.db2.gz JBVOTSHTRXJMLE-UHFFFAOYSA-N -1 0 302.327 -0.613 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1)C(C)C ZINC001599050206 1017497225 /nfs/dbraw/zinc/49/72/25/1017497225.db2.gz GUMJOHLQLWWRFT-MNOVXSKESA-N -1 0 316.354 -0.524 20 0 DBADRM CO[C@H](CS(=O)(=O)NC[C@]1(C(=O)[O-])CCOC1)C1CC1 ZINC001599055116 1017497817 /nfs/dbraw/zinc/49/78/17/1017497817.db2.gz CAVMOCWYQMETCP-ZYHUDNBSSA-N -1 0 307.368 -0.178 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)C(C)C ZINC001599049667 1017498269 /nfs/dbraw/zinc/49/82/69/1017498269.db2.gz BHQUQGFXXMHYEB-GMTAPVOTSA-N -1 0 316.354 -0.932 20 0 DBADRM CO[C@H](CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC001599052695 1017498716 /nfs/dbraw/zinc/49/87/16/1017498716.db2.gz XAJWDBBAGOGHFC-GMTAPVOTSA-N -1 0 307.368 -0.779 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@@H]1CC[C@@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC001599055880 1017499017 /nfs/dbraw/zinc/49/90/17/1017499017.db2.gz KAPPORCCGYKUQO-YTWAJWBKSA-N -1 0 307.368 -0.180 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-])[C@H]1CCOC1 ZINC001599055109 1017499049 /nfs/dbraw/zinc/49/90/49/1017499049.db2.gz BZDQYOKGXWQIBJ-NAKRPEOUSA-N -1 0 307.368 -0.322 20 0 DBADRM CO[C@H](CS(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)[C@@H]1CCOC1 ZINC001599056999 1017499983 /nfs/dbraw/zinc/49/99/83/1017499983.db2.gz DZQWKBURVLRAIE-ZIQFBCGOSA-N -1 0 319.379 -0.370 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@H](C(=O)[O-])C1CC1)[C@H]1CCOC1 ZINC001599060306 1017500195 /nfs/dbraw/zinc/50/01/95/1017500195.db2.gz UVIIEBQUVCBVHX-AXFHLTTASA-N -1 0 307.368 -0.180 20 0 DBADRM COC(OC)[C@@H](C)NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599062940 1017500475 /nfs/dbraw/zinc/50/04/75/1017500475.db2.gz ZRGAMNMEGSHAEY-SCZZXKLOSA-N -1 0 304.343 -0.139 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)C)C1 ZINC001599065106 1017502715 /nfs/dbraw/zinc/50/27/15/1017502715.db2.gz BVKBTHCKACROBL-SKDRFNHKSA-N -1 0 322.383 -0.738 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCOC(C)C)C1 ZINC001599066367 1017503401 /nfs/dbraw/zinc/50/34/01/1017503401.db2.gz CLJSUJRIQNBZFW-CYBMUJFWSA-N -1 0 302.327 -0.770 20 0 DBADRM CO[C@@]1(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001599064527 1017503422 /nfs/dbraw/zinc/50/34/22/1017503422.db2.gz CEBRBGKPFYOWIF-LNLATYFQSA-N -1 0 305.352 -0.631 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001599065433 1017503463 /nfs/dbraw/zinc/50/34/63/1017503463.db2.gz GRYPDBPXYFWQIS-RBZYPMLTSA-N -1 0 314.338 -0.676 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@H]2CCC=CO2)C1 ZINC001599065723 1017503594 /nfs/dbraw/zinc/50/35/94/1017503594.db2.gz ITQWMYYBZNSBMJ-QMTHXVAHSA-N -1 0 312.322 -0.503 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCOC2)C1 ZINC001599064935 1017503700 /nfs/dbraw/zinc/50/37/00/1017503700.db2.gz DFAHZJJNQKKBOS-PKFCDNJMSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2cccc(O)c2)C1 ZINC001599069060 1017505023 /nfs/dbraw/zinc/50/50/23/1017505023.db2.gz WLMGVKAYHMXOSC-OAHLLOKOSA-N -1 0 322.317 -0.176 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CC2(C)COC2)C1 ZINC001599068847 1017505262 /nfs/dbraw/zinc/50/52/62/1017505262.db2.gz PTLMYVKITIOOSG-AWEZNQCLSA-N -1 0 314.338 -0.817 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2cccc(O)c2)C1 ZINC001599069059 1017505848 /nfs/dbraw/zinc/50/58/48/1017505848.db2.gz WLMGVKAYHMXOSC-HNNXBMFYSA-N -1 0 322.317 -0.176 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCN(C(C)C)C2=O)C1 ZINC001599072483 1017506859 /nfs/dbraw/zinc/50/68/59/1017506859.db2.gz NRBBJLHDWDRSBJ-HZMBPMFUSA-N -1 0 313.354 -0.119 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCCS(=O)(=O)C(C)C)C1 ZINC001599071652 1017507055 /nfs/dbraw/zinc/50/70/55/1017507055.db2.gz VXJAAROPSRXVFR-GFCCVEGCSA-N -1 0 322.383 -0.305 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)C1 ZINC001599071175 1017507253 /nfs/dbraw/zinc/50/72/53/1017507253.db2.gz RNPPTSKMKCOLIM-MISXGVKJSA-N -1 0 315.370 -0.409 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCCOC(C)C)C1 ZINC001599070578 1017507429 /nfs/dbraw/zinc/50/74/29/1017507429.db2.gz WJSLXUSGIPWJLD-CQSZACIVSA-N -1 0 316.354 -0.380 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NC2CCC(C(N)=O)CC2)C1 ZINC001599072184 1017507615 /nfs/dbraw/zinc/50/76/15/1017507615.db2.gz IMXFWWGIEROHRV-RPFQZYLTSA-N -1 0 313.354 -0.084 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001599073835 1017507722 /nfs/dbraw/zinc/50/77/22/1017507722.db2.gz SPIQDOJJXLFSAD-HNNXBMFYSA-N -1 0 318.285 -0.114 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCCNC(=O)C(C)C)C1 ZINC001599071562 1017507798 /nfs/dbraw/zinc/50/77/98/1017507798.db2.gz FBZUKBCCDWDLHS-ZDUSSCGKSA-N -1 0 301.343 -0.356 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(CN2C(=O)c3cccc(N)c3C2=O)C1 ZINC001599077417 1017508711 /nfs/dbraw/zinc/50/87/11/1017508711.db2.gz HVOABPHVBHOCAJ-OAHLLOKOSA-N -1 0 319.317 -0.002 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnc(CCO)n2CC2CC2)C1 ZINC001599080011 1017510056 /nfs/dbraw/zinc/51/00/56/1017510056.db2.gz DTDXEIDJNAIMJK-CQSZACIVSA-N -1 0 310.354 -0.097 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnc(Cc3nccn3C)n2C)C1 ZINC001599079859 1017510108 /nfs/dbraw/zinc/51/01/08/1017510108.db2.gz AHDUICUTEHRUMJ-CQSZACIVSA-N -1 0 320.353 -0.181 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN([C@@H]2CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC001599076360 1017510552 /nfs/dbraw/zinc/51/05/52/1017510552.db2.gz MMNGLKFEDNCMDA-HQJQHLMTSA-N -1 0 324.255 -0.148 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(Cl)n2C)C1 ZINC001599079102 1017511168 /nfs/dbraw/zinc/51/11/68/1017511168.db2.gz OOZBVNMOPSVMCG-SNVBAGLBSA-N -1 0 323.758 -0.062 20 0 DBADRM COC1(C(F)(F)F)CN(C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599086224 1017511997 /nfs/dbraw/zinc/51/19/97/1017511997.db2.gz FODDLGBUDBSLOY-RNFRBKRXSA-N -1 0 324.255 -0.387 20 0 DBADRM COC1(CO)CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1 ZINC001599092416 1017513470 /nfs/dbraw/zinc/51/34/70/1017513470.db2.gz QPOYSFSBVLSZLJ-UHFFFAOYSA-N -1 0 319.339 -0.730 20 0 DBADRM COC1(CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CCC1 ZINC001599090415 1017513701 /nfs/dbraw/zinc/51/37/01/1017513701.db2.gz XWBVYSWZASVHDE-IUCAKERBSA-N -1 0 301.343 -0.168 20 0 DBADRM CO[C@@]1(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CCSC1 ZINC001599090814 1017514045 /nfs/dbraw/zinc/51/40/45/1017514045.db2.gz PLUBEOLNWQZYHM-SNVBAGLBSA-N -1 0 321.380 -0.092 20 0 DBADRM CO[C@@]1(Cn2nnnc2N2CCC(C(=O)[O-])CC2)CCOC1 ZINC001599093714 1017515136 /nfs/dbraw/zinc/51/51/36/1017515136.db2.gz DHXAUAMSWSYSNP-CYBMUJFWSA-N -1 0 311.342 -0.220 20 0 DBADRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)CS(C)(=O)=O)C(=O)[O-])C1 ZINC001599106139 1017515301 /nfs/dbraw/zinc/51/53/01/1017515301.db2.gz KMASLYPXCQNIQG-FXPVBKGRSA-N -1 0 307.368 -0.194 20 0 DBADRM CO[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001599114165 1017515392 /nfs/dbraw/zinc/51/53/92/1017515392.db2.gz CFSWTIVMDFDKLA-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM COC1(c2cnnn2C)CN(C(=O)CCSCC(=O)[O-])C1 ZINC001599096195 1017515665 /nfs/dbraw/zinc/51/56/65/1017515665.db2.gz XFFRTFYXWORBMJ-UHFFFAOYSA-N -1 0 314.367 -0.293 20 0 DBADRM CO[C@@H]1CC[C@H]1N(C)C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599104080 1017516193 /nfs/dbraw/zinc/51/61/93/1017516193.db2.gz LOESQEHHYPOWBB-HBNTYKKESA-N -1 0 314.338 -0.676 20 0 DBADRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)C2(NC(N)=O)CC2)C(=O)[O-])C1 ZINC001599106561 1017516228 /nfs/dbraw/zinc/51/62/28/1017516228.db2.gz RDYTXKCYRWFASB-OPRDCNLKSA-N -1 0 313.354 -0.038 20 0 DBADRM CO[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)C1 ZINC001599115450 1017516309 /nfs/dbraw/zinc/51/63/09/1017516309.db2.gz NSBVFSWORYUCDG-MYQWFSQQSA-N -1 0 310.350 -0.007 20 0 DBADRM COC1(OC)CCOC[C@H]1NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001599096565 1017516343 /nfs/dbraw/zinc/51/63/43/1017516343.db2.gz YPYNENYPPBUWNH-GWOFURMSSA-N -1 0 317.338 -0.241 20 0 DBADRM COC1CCN(C(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)CC1 ZINC001599115715 1017516647 /nfs/dbraw/zinc/51/66/47/1017516647.db2.gz AKJUXHNDPYJKKR-AWEZNQCLSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NCCC(=O)[O-])[C@@H]2C1 ZINC001599102867 1017516698 /nfs/dbraw/zinc/51/66/98/1017516698.db2.gz KMKLIGRSUWZEED-UTUOFQBUSA-N -1 0 300.355 -0.154 20 0 DBADRM CO[C@H]1CC[C@H](NC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001599101627 1017516898 /nfs/dbraw/zinc/51/68/98/1017516898.db2.gz BMMASDWVRJKWDJ-YUMQZZPRSA-N -1 0 310.310 -0.260 20 0 DBADRM CO[C@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC001599120568 1017517761 /nfs/dbraw/zinc/51/77/61/1017517761.db2.gz WNJQHPFYEWOGGU-DTWKUNHWSA-N -1 0 308.356 -0.984 20 0 DBADRM CO[C@@H]1CCN(C(=O)CNC(=O)c2ccncc2)[C@H](C(=O)[O-])C1 ZINC001599120104 1017517944 /nfs/dbraw/zinc/51/79/44/1017517944.db2.gz UIDYDMWFCUXZJR-NEPJUHHUSA-N -1 0 321.333 -0.098 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H]2CCN=C3C2=NNN3C)[C@H](C(=O)[O-])C1 ZINC001599120478 1017518070 /nfs/dbraw/zinc/51/80/70/1017518070.db2.gz ROYXJDQDZIFDDD-BBBLOLIVSA-N -1 0 323.353 -0.699 20 0 DBADRM CO[C@H]1CCN(C(=O)CC2C(=O)N=CNC2=O)[C@@H](C(=O)[O-])C1 ZINC001599118310 1017518156 /nfs/dbraw/zinc/51/81/56/1017518156.db2.gz BVCWJASRLUSTAT-IONNQARKSA-N -1 0 311.294 -0.479 20 0 DBADRM CO[C@@H]1CCN(C(=O)C2CCS(=O)(=O)CC2)[C@@H](C(=O)[O-])C1 ZINC001599119745 1017519121 /nfs/dbraw/zinc/51/91/21/1017519121.db2.gz NVXBLHJUSPYKQY-GHMZBOCLSA-N -1 0 319.379 -0.098 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)[C@@](C)(C(=O)[O-])C1 ZINC001599129801 1017519881 /nfs/dbraw/zinc/51/98/81/1017519881.db2.gz GSWLRMHGJCVISO-UINNMSKDSA-N -1 0 324.337 -0.363 20 0 DBADRM CO[C@H]1CN(C(=O)CS(=O)(=O)C2CC2)[C@@](C)(C(=O)[O-])C1 ZINC001599131523 1017520274 /nfs/dbraw/zinc/52/02/74/1017520274.db2.gz AUHFLCZLFZZWEX-PRHODGIISA-N -1 0 305.352 -0.346 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)[C@@](C)(C(=O)[O-])C1 ZINC001599132447 1017520418 /nfs/dbraw/zinc/52/04/18/1017520418.db2.gz XVWDVARBBJRVKY-OUJBWJOFSA-N -1 0 319.379 -0.098 20 0 DBADRM CO[C@@H]1CN(C(=O)CS(=O)(=O)C2CC2)[C@](C)(C(=O)[O-])C1 ZINC001599131526 1017521122 /nfs/dbraw/zinc/52/11/22/1017521122.db2.gz AUHFLCZLFZZWEX-UFBFGSQYSA-N -1 0 305.352 -0.346 20 0 DBADRM CO[C@H]1CCN(CC(=O)N(C)Cc2cnn(C)c2)[C@H](C(=O)[O-])C1 ZINC001599124609 1017521239 /nfs/dbraw/zinc/52/12/39/1017521239.db2.gz WUJIXBGQVZSVPX-STQMWFEESA-N -1 0 324.381 -0.058 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H](O)Cc2cnn(C)c2)[C@](C)(C(=O)[O-])C1 ZINC001599131784 1017521538 /nfs/dbraw/zinc/52/15/38/1017521538.db2.gz UWUORGLFOXPAAD-MJVIPROJSA-N -1 0 311.338 -0.586 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)N3CCC(O)(C(=O)[O-])CC3)nc2C1 ZINC001599127409 1017521645 /nfs/dbraw/zinc/52/16/45/1017521645.db2.gz JMSNCOLKLHFWBH-SNVBAGLBSA-N -1 0 323.349 -0.104 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)[O-])nc2C1 ZINC001599127118 1017521825 /nfs/dbraw/zinc/52/18/25/1017521825.db2.gz FIMTYWQDBZIFGJ-LNLATYFQSA-N -1 0 309.322 -0.184 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)Nc3n[nH]c(CC(=O)[O-])n3)nc2C1 ZINC001599127735 1017521948 /nfs/dbraw/zinc/52/19/48/1017521948.db2.gz LVIUEOUOCKLTKY-SSDOTTSWSA-N -1 0 320.309 -0.158 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CCO1 ZINC001599136560 1017522654 /nfs/dbraw/zinc/52/26/54/1017522654.db2.gz KCPVYTGZSOKOBF-JTQLQIEISA-N -1 0 302.308 -0.227 20 0 DBADRM CO[C@H]1COCC[C@H]1CNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599137120 1017522987 /nfs/dbraw/zinc/52/29/87/1017522987.db2.gz CCLHDLPUPKEYLV-BJDJZHNGSA-N -1 0 316.354 -0.079 20 0 DBADRM CO[C@H]1CN(C(=O)[C@@H]2CSCC(=O)N2)[C@](C)(C(=O)[O-])C1 ZINC001599134807 1017524345 /nfs/dbraw/zinc/52/43/45/1017524345.db2.gz QEZAPBYEUHJIAV-LWINAJNOSA-N -1 0 302.352 -0.691 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2CSCC(=O)N2)[C@](C)(C(=O)[O-])C1 ZINC001599134809 1017523962 /nfs/dbraw/zinc/52/39/62/1017523962.db2.gz QEZAPBYEUHJIAV-UBJUHAIHSA-N -1 0 302.352 -0.691 20 0 DBADRM COCC(=O)N(C)CC(C)(C)CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599140050 1017525233 /nfs/dbraw/zinc/52/52/33/1017525233.db2.gz VIXPNWDMZJRBNZ-VHSXEESVSA-N -1 0 300.355 -0.046 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001599138348 1017525196 /nfs/dbraw/zinc/52/51/96/1017525196.db2.gz GYFRTGNBNBCHRS-LNFKQOIKSA-N -1 0 319.379 -0.194 20 0 DBADRM COCC(=O)N1CCN(C(=O)NCC(C)(C)CC(=O)[O-])CC1 ZINC001599140236 1017526335 /nfs/dbraw/zinc/52/63/35/1017526335.db2.gz ZRGPPFVCMFWFIS-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1cc(C)c(C(=O)[O-])[nH]1 ZINC001599140384 1017526496 /nfs/dbraw/zinc/52/64/96/1017526496.db2.gz OXMFRUHVVXPQFT-NXEZZACHSA-N -1 0 302.352 -0.077 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cncc(C(=O)[O-])c1 ZINC001599137643 1017526644 /nfs/dbraw/zinc/52/66/44/1017526644.db2.gz DDRICJQLQQAVDJ-UWVGGRQHSA-N -1 0 314.319 -0.678 20 0 DBADRM COCC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001599140046 1017526734 /nfs/dbraw/zinc/52/67/34/1017526734.db2.gz VIXPNWDMZJRBNZ-NXEZZACHSA-N -1 0 300.355 -0.046 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1cc(C(=O)[O-])c(C)n1C ZINC001599140348 1017526851 /nfs/dbraw/zinc/52/68/51/1017526851.db2.gz OQVVHBRWAXBXAU-RYUDHWBXSA-N -1 0 316.379 -0.067 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cncc(C(=O)[O-])c1 ZINC001599137644 1017526917 /nfs/dbraw/zinc/52/69/17/1017526917.db2.gz DDRICJQLQQAVDJ-VHSXEESVSA-N -1 0 314.319 -0.678 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NCc1cc(C)c(C(=O)[O-])[nH]1 ZINC001599140387 1017526938 /nfs/dbraw/zinc/52/69/38/1017526938.db2.gz OXMFRUHVVXPQFT-ZJUUUORDSA-N -1 0 302.352 -0.077 20 0 DBADRM COC[C@@](C)(NC(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001599152088 1017533068 /nfs/dbraw/zinc/53/30/68/1017533068.db2.gz WWLASMPGDVVEMV-JOYOIKCWSA-N -1 0 307.368 -0.193 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(C(=O)[O-])n1C ZINC001599142163 1017528726 /nfs/dbraw/zinc/52/87/26/1017528726.db2.gz YWJGNRRIXZLWAR-GXSJLCMTSA-N -1 0 302.352 -0.375 20 0 DBADRM COCC(=O)N(C)CC(=O)N(CCC(F)(F)F)CC(=O)[O-] ZINC001599141782 1017528925 /nfs/dbraw/zinc/52/89/25/1017528925.db2.gz UJDJZSXJUIEPSJ-UHFFFAOYSA-N -1 0 314.260 -0.043 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001599147834 1017530205 /nfs/dbraw/zinc/53/02/05/1017530205.db2.gz UKQMNFRXYMGKMH-CABZTGNLSA-N -1 0 322.383 -0.305 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC001599147973 1017531255 /nfs/dbraw/zinc/53/12/55/1017531255.db2.gz DUYOSOZQGJNOLL-RWEMILLDSA-N -1 0 303.311 -0.297 20 0 DBADRM COC[C@](C)(NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-] ZINC001599155118 1017533192 /nfs/dbraw/zinc/53/31/92/1017533192.db2.gz JLBNGZLXSZCINI-NSHDSACASA-N -1 0 323.367 -0.261 20 0 DBADRM COC[C@](C)(O)CCNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001599156641 1017534435 /nfs/dbraw/zinc/53/44/35/1017534435.db2.gz NJIJZETYAITASY-LLVKDONJSA-N -1 0 309.384 -0.052 20 0 DBADRM COC[C@@H](C)[C@H](C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001599157234 1017534521 /nfs/dbraw/zinc/53/45/21/1017534521.db2.gz BYOIEJKTHVAICQ-KEPMVKOISA-N -1 0 321.395 -0.091 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001599158096 1017535415 /nfs/dbraw/zinc/53/54/15/1017535415.db2.gz AYJCYRXHIWWIPT-AEJSXWLSSA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CCSC[C@H]1C(=O)[O-] ZINC001599162512 1017536976 /nfs/dbraw/zinc/53/69/76/1017536976.db2.gz YKPYBJATVPSXIW-BDAKNGLRSA-N -1 0 319.383 -0.651 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001599163960 1017537522 /nfs/dbraw/zinc/53/75/22/1017537522.db2.gz BHBXDKYAYHANFQ-ZETCQYMHSA-N -1 0 316.335 -0.183 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001599164957 1017538337 /nfs/dbraw/zinc/53/83/37/1017538337.db2.gz RPPQGMIMXIXNKY-SECBINFHSA-N -1 0 303.336 -0.021 20 0 DBADRM COC[C@H](NC(=O)CC[C@H]1CC[C@H](C2OCCO2)O1)C(=O)[O-] ZINC001599166845 1017539407 /nfs/dbraw/zinc/53/94/07/1017539407.db2.gz HHJNDEVJFVTMGR-OUAUKWLOSA-N -1 0 317.338 -0.097 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001599167434 1017539431 /nfs/dbraw/zinc/53/94/31/1017539431.db2.gz VAOLMLAGSHEYJG-JTQLQIEISA-N -1 0 310.306 -0.245 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC001599168450 1017540416 /nfs/dbraw/zinc/54/04/16/1017540416.db2.gz BUMYYUQGZULNSO-JTQLQIEISA-N -1 0 316.260 -0.090 20 0 DBADRM COC[C@@H](N[C@@H](C(=O)[O-])c1cccc(C(=O)OC)c1)C(N)=O ZINC001599173890 1017541400 /nfs/dbraw/zinc/54/14/00/1017541400.db2.gz SWXGZGWTDPHOLI-GHMZBOCLSA-N -1 0 310.306 -0.311 20 0 DBADRM COC[C@H](NC(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-])[C@H]1CCCO1 ZINC001599172678 1017541617 /nfs/dbraw/zinc/54/16/17/1017541617.db2.gz CUGSWXAICUVZHO-YFKTTZPYSA-N -1 0 316.354 -0.031 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(OC)c(-n2cnnn2)c1)C(=O)[O-] ZINC001599174367 1017541718 /nfs/dbraw/zinc/54/17/18/1017541718.db2.gz KQAKPNRTALDLQP-SECBINFHSA-N -1 0 321.293 -0.500 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1F)C(=O)[O-] ZINC001599173995 1017542357 /nfs/dbraw/zinc/54/23/57/1017542357.db2.gz HJPXIGKSDOKQHD-SECBINFHSA-N -1 0 320.298 -0.698 20 0 DBADRM COC[C@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-] ZINC001599174404 1017542448 /nfs/dbraw/zinc/54/24/48/1017542448.db2.gz LABXVRSGQCYCGV-VIFPVBQESA-N -1 0 307.262 -0.954 20 0 DBADRM COC[C@@H](NC(=O)c1nnn(Cc2ccncc2)c1C)C(=O)[O-] ZINC001599174830 1017542549 /nfs/dbraw/zinc/54/25/49/1017542549.db2.gz DDLAEMMFPNCQPK-LLVKDONJSA-N -1 0 319.321 -0.141 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)C(N)=O ZINC001599178053 1017543695 /nfs/dbraw/zinc/54/36/95/1017543695.db2.gz WHVHIWZDYYNBOI-JTQLQIEISA-N -1 0 316.335 -0.528 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(=O)OC ZINC001599176976 1017544498 /nfs/dbraw/zinc/54/44/98/1017544498.db2.gz FVUQSCBREWWYSW-ZETCQYMHSA-N -1 0 321.307 -0.247 20 0 DBADRM COC[C@@H](NS(=O)(=O)CC1(OC)CCOCC1)C(=O)[O-] ZINC001599176560 1017545018 /nfs/dbraw/zinc/54/50/18/1017545018.db2.gz MRUOLTPNKSFNMU-SECBINFHSA-N -1 0 311.356 -0.799 20 0 DBADRM COC[C@@H](OC)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001599182626 1017546038 /nfs/dbraw/zinc/54/60/38/1017546038.db2.gz PLFYMEAMPDHAKY-SNVBAGLBSA-N -1 0 300.311 -0.130 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCCN1CC(=O)N1CCOCC1 ZINC001599186977 1017547179 /nfs/dbraw/zinc/54/71/79/1017547179.db2.gz BTLGHKPRZODBEI-AWEZNQCLSA-N -1 0 300.355 -0.199 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001599181010 1017547846 /nfs/dbraw/zinc/54/78/46/1017547846.db2.gz FROHRLKYCOJMCP-NXEZZACHSA-N -1 0 324.337 -0.469 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)Cn1cc([C@@H](C)O)nn1 ZINC001599190294 1017548484 /nfs/dbraw/zinc/54/84/84/1017548484.db2.gz KVMQXTDSGZYKJC-RNCFNFMXSA-N -1 0 312.326 -0.576 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@]1(F)CCS(=O)(=O)C1 ZINC001599190203 1017548652 /nfs/dbraw/zinc/54/86/52/1017548652.db2.gz GQKAGJAXUBHYTP-RYUDHWBXSA-N -1 0 323.342 -0.395 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCCN1Cc1nnc2c(=O)[nH]ccn12 ZINC001599191398 1017548887 /nfs/dbraw/zinc/54/88/87/1017548887.db2.gz SJCIDBDCHRYAIS-AWEZNQCLSA-N -1 0 321.337 -0.127 20 0 DBADRM COC[C@@]1(CO)CCN(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])C1 ZINC001599201504 1017550206 /nfs/dbraw/zinc/55/02/06/1017550206.db2.gz VEWSBTKNJGJPET-MJVIPROJSA-N -1 0 316.354 -0.484 20 0 DBADRM COC[C@@]1(CO)CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1 ZINC001599200233 1017550470 /nfs/dbraw/zinc/55/04/70/1017550470.db2.gz CCJHJLFSJLKZGK-WFASDCNBSA-N -1 0 316.398 -0.067 20 0 DBADRM COCC1(C2CC2)CN(C(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599195500 1017550891 /nfs/dbraw/zinc/55/08/91/1017550891.db2.gz RMUSJXLUFZIJMZ-ONGXEEELSA-N -1 0 310.350 -0.292 20 0 DBADRM COCC1(CNC(=O)C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)CC1 ZINC001599198348 1017551344 /nfs/dbraw/zinc/55/13/44/1017551344.db2.gz QFYYQUSSHPUQIA-FEUHOPSXSA-N -1 0 310.350 -0.101 20 0 DBADRM COCC1(Cn2nnnc2N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1 ZINC001599200209 1017551418 /nfs/dbraw/zinc/55/14/18/1017551418.db2.gz KBWNHIDRFNJQLL-ZJUUUORDSA-N -1 0 311.342 -0.222 20 0 DBADRM COC[C@]1(CO)CCN(C(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)C1 ZINC001599201465 1017551470 /nfs/dbraw/zinc/55/14/70/1017551470.db2.gz URZIHNLNROOYGQ-AYGWYOGXSA-N -1 0 301.339 -0.278 20 0 DBADRM COC[C@]1(CO)CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001599200887 1017551486 /nfs/dbraw/zinc/55/14/86/1017551486.db2.gz KHQNDBZOUHFTMQ-LLVKDONJSA-N -1 0 319.339 -0.873 20 0 DBADRM COCC1(CS(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)CCC1 ZINC001599200951 1017551739 /nfs/dbraw/zinc/55/17/39/1017551739.db2.gz LRLZUTQHJPRDLP-LBPRGKRZSA-N -1 0 307.368 -0.346 20 0 DBADRM COCC1(S(=O)(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CC1 ZINC001599202090 1017551837 /nfs/dbraw/zinc/55/18/37/1017551837.db2.gz QOIQCPUGCCFMPB-LLVKDONJSA-N -1 0 318.351 -0.199 20 0 DBADRM COC[C@H]1CN([C@@H]2CCCN(CCC(=O)[O-])C2=O)CCO1 ZINC001599206033 1017552622 /nfs/dbraw/zinc/55/26/22/1017552622.db2.gz XMOIYCGUVHEWIK-VXGBXAGGSA-N -1 0 300.355 -0.201 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CCO1 ZINC001599206656 1017552857 /nfs/dbraw/zinc/55/28/57/1017552857.db2.gz PHDKNMGEYORPKH-MNOVXSKESA-N -1 0 312.322 -0.850 20 0 DBADRM COC[C@H]1CCCN1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599204153 1017553359 /nfs/dbraw/zinc/55/33/59/1017553359.db2.gz VHKHNLPUBQJTPG-LPEHRKFASA-N -1 0 301.343 -0.215 20 0 DBADRM COC[C@@H]1CN([C@H]2CCCN(CCC(=O)[O-])C2=O)CCO1 ZINC001599206032 1017553573 /nfs/dbraw/zinc/55/35/73/1017553573.db2.gz XMOIYCGUVHEWIK-RYUDHWBXSA-N -1 0 300.355 -0.201 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC001599206387 1017553920 /nfs/dbraw/zinc/55/39/20/1017553920.db2.gz JFJGETSDUHNIRO-MXWKQRLJSA-N -1 0 314.338 -0.818 20 0 DBADRM COC[C@H]1CN(Cn2nc(C(=O)[O-])cc2C(=O)OC)CCO1 ZINC001599204999 1017553933 /nfs/dbraw/zinc/55/39/33/1017553933.db2.gz HDVFNUWEINGWGY-SECBINFHSA-N -1 0 313.310 -0.327 20 0 DBADRM COC[C@@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001599207870 1017554126 /nfs/dbraw/zinc/55/41/26/1017554126.db2.gz NIZDAJFZTCFZEE-SECBINFHSA-N -1 0 316.335 -0.184 20 0 DBADRM COC[C@H]1CNCCN1S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001599208728 1017555269 /nfs/dbraw/zinc/55/52/69/1017555269.db2.gz ZVGDSPLLWLQKMS-SECBINFHSA-N -1 0 315.351 -0.611 20 0 DBADRM COCC[C@@H](NC(=O)[C@H](C)Sc1nncn1C)C(=O)[O-] ZINC001599212811 1017556024 /nfs/dbraw/zinc/55/60/24/1017556024.db2.gz IRLZLZVHDRAGCN-JGVFFNPUSA-N -1 0 302.356 -0.098 20 0 DBADRM COCC[C@H](C)NC(=O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001599210815 1017556413 /nfs/dbraw/zinc/55/64/13/1017556413.db2.gz ZFLLAEHKGKVZAP-UWVGGRQHSA-N -1 0 318.395 -0.196 20 0 DBADRM COCC[C@@H](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001599217647 1017557521 /nfs/dbraw/zinc/55/75/21/1017557521.db2.gz LRFQOQKSIWLAEN-NXEZZACHSA-N -1 0 320.367 -0.841 20 0 DBADRM COCC[C@H](NC(=O)c1cn(-c2cccnc2)nn1)C(=O)[O-] ZINC001599217332 1017557851 /nfs/dbraw/zinc/55/78/51/1017557851.db2.gz KVRQLVYUCPCXBV-JTQLQIEISA-N -1 0 305.294 -0.118 20 0 DBADRM COCC[C@@H](NC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C(=O)[O-] ZINC001599215291 1017557932 /nfs/dbraw/zinc/55/79/32/1017557932.db2.gz JJUARHPLFSZMKT-LDYMZIIASA-N -1 0 308.356 -0.936 20 0 DBADRM COCC[C@@H](NC(=O)c1nnn2cc(C)[nH]c(=O)c12)C(=O)[O-] ZINC001599219511 1017558413 /nfs/dbraw/zinc/55/84/13/1017558413.db2.gz ZIEUQHGPQNMMJG-SSDOTTSWSA-N -1 0 309.282 -0.642 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1ccccc1C(=O)[O-])C(N)=O ZINC001599219210 1017558580 /nfs/dbraw/zinc/55/85/80/1017558580.db2.gz OUFPNEZWBULBTE-VIFPVBQESA-N -1 0 316.335 -0.447 20 0 DBADRM COCC[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C(=O)OC ZINC001599219647 1017558925 /nfs/dbraw/zinc/55/89/25/1017558925.db2.gz UWEQFQTXBJGGDC-SECBINFHSA-N -1 0 323.367 -0.261 20 0 DBADRM COCCCNC(=O)[C@H](C)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599225916 1017559260 /nfs/dbraw/zinc/55/92/60/1017559260.db2.gz WVICXJMUPSNJHM-IINYFYTJSA-N -1 0 313.354 -0.167 20 0 DBADRM COCCCOCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001599226704 1017560475 /nfs/dbraw/zinc/56/04/75/1017560475.db2.gz GPHFJGXYYKPIST-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM COCCCN1C(=O)N=NC1S[C@@H](C)C(=O)NCC(=O)[O-] ZINC001599229106 1017560930 /nfs/dbraw/zinc/56/09/30/1017560930.db2.gz BTMMFHULPLKHRI-ZETCQYMHSA-N -1 0 318.355 -0.298 20 0 DBADRM COCC[C@H]1CNCCN1S(=O)(=O)c1occc1C(=O)[O-] ZINC001599221678 1017561018 /nfs/dbraw/zinc/56/10/18/1017561018.db2.gz YLPUQDBHQIDWMZ-VIFPVBQESA-N -1 0 318.351 -0.023 20 0 DBADRM COCCCCCNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599224221 1017561710 /nfs/dbraw/zinc/56/17/10/1017561710.db2.gz WXPQVPFCVNYFGP-MNOVXSKESA-N -1 0 316.354 -0.380 20 0 DBADRM COCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CC(=O)OC ZINC001599233088 1017563156 /nfs/dbraw/zinc/56/31/56/1017563156.db2.gz AVVVTCBMTMCMFB-LBPRGKRZSA-N -1 0 304.343 -0.667 20 0 DBADRM COCCCn1cc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cn1 ZINC001599230544 1017564099 /nfs/dbraw/zinc/56/40/99/1017564099.db2.gz XMPLREJIASHOEQ-UHFFFAOYSA-N -1 0 308.298 -0.083 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cc(C)n(NC(N)=O)c1C ZINC001599234194 1017564144 /nfs/dbraw/zinc/56/41/44/1017564144.db2.gz RELOXMQCQBUFTH-UHFFFAOYSA-N -1 0 312.326 -0.100 20 0 DBADRM COCCN(C)C(=O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001599232845 1017564238 /nfs/dbraw/zinc/56/42/38/1017564238.db2.gz SOWQTAMYAPGQIJ-VIFPVBQESA-N -1 0 304.368 -0.633 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001599235185 1017565855 /nfs/dbraw/zinc/56/58/55/1017565855.db2.gz WXIMLLATHYMASX-UHFFFAOYSA-N -1 0 313.310 -0.312 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1cccn2c(=O)[nH]nc12 ZINC001599236137 1017565975 /nfs/dbraw/zinc/56/59/75/1017565975.db2.gz FBBRDNXUJQHFFM-UHFFFAOYSA-N -1 0 308.294 -0.002 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)OC)O1 ZINC001599235982 1017566056 /nfs/dbraw/zinc/56/60/56/1017566056.db2.gz AIOIYSZLEGOFOF-NHCYSSNCSA-N -1 0 317.338 -0.097 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C1CCS(=O)(=O)CC1 ZINC001599235293 1017566311 /nfs/dbraw/zinc/56/63/11/1017566311.db2.gz MPGIPZLFOGIWRY-UHFFFAOYSA-N -1 0 307.368 -0.239 20 0 DBADRM COCCN(CC(F)F)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001599234860 1017566570 /nfs/dbraw/zinc/56/65/70/1017566570.db2.gz IEHZOMNYPVXQIM-MRVPVSSYSA-N -1 0 324.280 -0.962 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1cnc(C(=O)OC)cn1 ZINC001599236209 1017566584 /nfs/dbraw/zinc/56/65/84/1017566584.db2.gz VKAXAVCBRLBHCY-UHFFFAOYSA-N -1 0 311.294 -0.174 20 0 DBADRM COCCN1CCCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1=O ZINC001599240379 1017567291 /nfs/dbraw/zinc/56/72/91/1017567291.db2.gz KPVKECUZDXFQEC-UHFFFAOYSA-N -1 0 310.350 -0.051 20 0 DBADRM COCCNC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001599243677 1017568548 /nfs/dbraw/zinc/56/85/48/1017568548.db2.gz SRKKHGJCHUOEHY-CYBMUJFWSA-N -1 0 301.343 -0.796 20 0 DBADRM COCCN1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1=O ZINC001599243843 1017569547 /nfs/dbraw/zinc/56/95/47/1017569547.db2.gz ZAYFRQUNFWIPRD-CKYFFXLPSA-N -1 0 314.338 -0.818 20 0 DBADRM COCCN1CN(C(=O)CCc2ocnc2C(=O)[O-])CC1=O ZINC001599243551 1017569637 /nfs/dbraw/zinc/56/96/37/1017569637.db2.gz SIWSKXGFQUBQST-UHFFFAOYSA-N -1 0 311.294 -0.420 20 0 DBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)NC1CC(C(=O)[O-])C1 ZINC001599250449 1017570862 /nfs/dbraw/zinc/57/08/62/1017570862.db2.gz WYOBERIYLUQRTH-QQFIATSDSA-N -1 0 316.354 -0.031 20 0 DBADRM COCCOC[C@H](C)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599249337 1017571284 /nfs/dbraw/zinc/57/12/84/1017571284.db2.gz GKRDVQFQXOHGQI-GUBZILKMSA-N -1 0 319.358 -0.685 20 0 DBADRM COCCOC1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001599249192 1017571381 /nfs/dbraw/zinc/57/13/81/1017571381.db2.gz HPWZQQUMEMSYPN-UHFFFAOYSA-N -1 0 323.305 -0.408 20 0 DBADRM COCCOCC(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001599246715 1017571593 /nfs/dbraw/zinc/57/15/93/1017571593.db2.gz FKNMETTWUXBIAF-SNVBAGLBSA-N -1 0 324.337 -0.467 20 0 DBADRM COCCO[C@H]1COCC[C@H]1NC(=O)c1cc(C(=O)[O-])on1 ZINC001599248128 1017571865 /nfs/dbraw/zinc/57/18/65/1017571865.db2.gz RCTUWBVHAWFIIA-KCJUWKMLSA-N -1 0 314.294 -0.077 20 0 DBADRM COCCOC1CN(S(=O)(=O)c2cc(C(=O)[O-])cn2C)C1 ZINC001599250215 1017571959 /nfs/dbraw/zinc/57/19/59/1017571959.db2.gz WMQSEXJJDQMTHB-UHFFFAOYSA-N -1 0 318.351 -0.241 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001599249498 1017571976 /nfs/dbraw/zinc/57/19/76/1017571976.db2.gz LKMDVVRGNCLLAA-HBNTYKKESA-N -1 0 316.354 -0.524 20 0 DBADRM COCCOC[C@@H]1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001599249317 1017572105 /nfs/dbraw/zinc/57/21/05/1017572105.db2.gz GBJLADOQWXECBF-SNVBAGLBSA-N -1 0 312.326 -0.512 20 0 DBADRM COCCNc1nc(CC(=O)NC[C@](C)(O)C(=O)[O-])cs1 ZINC001599247266 1017572220 /nfs/dbraw/zinc/57/22/20/1017572220.db2.gz VRSRVYAYRUZHRY-LBPRGKRZSA-N -1 0 317.367 -0.304 20 0 DBADRM COCCOCCC(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001599250902 1017573376 /nfs/dbraw/zinc/57/33/76/1017573376.db2.gz GJFGPTWPVMYZDI-MNOVXSKESA-N -1 0 317.338 -0.096 20 0 DBADRM COCCOCCN1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599250689 1017573633 /nfs/dbraw/zinc/57/36/33/1017573633.db2.gz QPYAZPHMLJIBGA-RYUDHWBXSA-N -1 0 300.355 -0.487 20 0 DBADRM COCCOCCN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001599251658 1017573972 /nfs/dbraw/zinc/57/39/72/1017573972.db2.gz TZMMXBHGBIIGLI-NWDGAFQWSA-N -1 0 300.355 -0.486 20 0 DBADRM COCCOCCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001599251156 1017574468 /nfs/dbraw/zinc/57/44/68/1017574468.db2.gz YHFZUJWRODKEIK-GHMZBOCLSA-N -1 0 314.338 -0.913 20 0 DBADRM COCCOCCN(CCO)C(=O)c1cc(C(=O)[O-])on1 ZINC001599250618 1017574525 /nfs/dbraw/zinc/57/45/25/1017574525.db2.gz LRFKISSQWNJNGA-UHFFFAOYSA-N -1 0 302.283 -0.530 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC001599262041 1017575586 /nfs/dbraw/zinc/57/55/86/1017575586.db2.gz GFXVQHFLXOLIFI-CABZTGNLSA-N -1 0 323.367 -0.862 20 0 DBADRM COCCn1cc(N2C[C@@H](C(=O)OCC(=O)[O-])CC2=O)cn1 ZINC001599270346 1017575608 /nfs/dbraw/zinc/57/56/08/1017575608.db2.gz AXNUYFKRBOOYBE-VIFPVBQESA-N -1 0 311.294 -0.490 20 0 DBADRM COCCS(=O)(=O)CC(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001599262409 1017576848 /nfs/dbraw/zinc/57/68/48/1017576848.db2.gz RGMCVCUVUAWZLB-SNVBAGLBSA-N -1 0 307.368 -0.335 20 0 DBADRM COC[C@@H](O)CNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC001599275845 1017577683 /nfs/dbraw/zinc/57/76/83/1017577683.db2.gz HXZMXNPUMYPLGE-VIFPVBQESA-N -1 0 312.322 -0.110 20 0 DBADRM COC[C@@H](O)CNC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001599275665 1017578287 /nfs/dbraw/zinc/57/82/87/1017578287.db2.gz BGRGKCLWPLEASP-PYUIQPRZSA-N -1 0 316.354 -0.295 20 0 DBADRM COC[C@@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001599276217 1017578379 /nfs/dbraw/zinc/57/83/79/1017578379.db2.gz PYVLDXDKEBZMCT-YFKPBYRVSA-N -1 0 313.715 -0.083 20 0 DBADRM COC[C@@H](O)CNC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001599276228 1017578470 /nfs/dbraw/zinc/57/84/70/1017578470.db2.gz QEYHKTAGJHSLHF-IUCAKERBSA-N -1 0 320.342 -0.522 20 0 DBADRM COCCn1ncc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c1C ZINC001599274093 1017578635 /nfs/dbraw/zinc/57/86/35/1017578635.db2.gz WVWMSMPOGSDNKC-NEPJUHHUSA-N -1 0 311.338 -0.112 20 0 DBADRM COC[C@@H](O)CNS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001599275658 1017578683 /nfs/dbraw/zinc/57/86/83/1017578683.db2.gz BALNNSJHDOOXHC-QMMMGPOBSA-N -1 0 307.299 -0.191 20 0 DBADRM COCCn1ncc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])c1C ZINC001599274091 1017578730 /nfs/dbraw/zinc/57/87/30/1017578730.db2.gz WTWGYGICJJAALI-LBPRGKRZSA-N -1 0 321.337 -0.082 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001599275944 1017578803 /nfs/dbraw/zinc/57/88/03/1017578803.db2.gz TWSFCESMQJAXQV-VIFPVBQESA-N -1 0 321.326 -0.262 20 0 DBADRM COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001599276215 1017579013 /nfs/dbraw/zinc/57/90/13/1017579013.db2.gz PYBKYLMCARJDAD-QMMMGPOBSA-N -1 0 314.269 -0.414 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@H](C)/C=C\C(=O)[O-])cn1 ZINC001599272755 1017579303 /nfs/dbraw/zinc/57/93/03/1017579303.db2.gz DPAYOSMNNBXWKI-ZBJFTSOASA-N -1 0 303.340 -0.163 20 0 DBADRM COCCn1ncc(C(=O)N2CCC(O)(C(=O)[O-])CC2)c1C ZINC001599273438 1017579383 /nfs/dbraw/zinc/57/93/83/1017579383.db2.gz FUGKMXOWFBZCDA-UHFFFAOYSA-N -1 0 311.338 -0.110 20 0 DBADRM COCCn1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)n1 ZINC001599272986 1017579597 /nfs/dbraw/zinc/57/95/97/1017579597.db2.gz VQSZYPRGMOMNJL-UHFFFAOYSA-N -1 0 320.309 -0.484 20 0 DBADRM COCc1cncc(C(=O)NCCC(=O)NCCC(=O)[O-])c1 ZINC001599298514 1017580531 /nfs/dbraw/zinc/58/05/31/1017580531.db2.gz FIEAVQGVQQTEMG-UHFFFAOYSA-N -1 0 309.322 -0.061 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001599277209 1017580794 /nfs/dbraw/zinc/58/07/94/1017580794.db2.gz TWEJKFGFKWHIJG-GHMZBOCLSA-N -1 0 311.338 -0.030 20 0 DBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599277376 1017581660 /nfs/dbraw/zinc/58/16/60/1017581660.db2.gz BGTLQRPQWSJULG-ZETCQYMHSA-N -1 0 320.323 -0.593 20 0 DBADRM COCc1nc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)no1 ZINC001599299952 1017582245 /nfs/dbraw/zinc/58/22/45/1017582245.db2.gz STUMHNAJCUTSIT-SECBINFHSA-N -1 0 312.326 -0.163 20 0 DBADRM COCc1ccccc1CNC(=O)CN[C@](C)(CO)C(=O)[O-] ZINC001599297254 1017582286 /nfs/dbraw/zinc/58/22/86/1017582286.db2.gz ITKURBPHLTUTIJ-OAHLLOKOSA-N -1 0 310.350 -0.126 20 0 DBADRM COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](C)C(N)=O)c1 ZINC001599282354 1017582347 /nfs/dbraw/zinc/58/23/47/1017582347.db2.gz XCBHCNOSCKBANQ-SSDOTTSWSA-N -1 0 316.335 -0.317 20 0 DBADRM COCc1noc(CNC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001599307425 1017582770 /nfs/dbraw/zinc/58/27/70/1017582770.db2.gz BOCGVTDSHXFWJX-IUCAKERBSA-N -1 0 324.337 -0.325 20 0 DBADRM COCc1noc(CN(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001599307726 1017582787 /nfs/dbraw/zinc/58/27/87/1017582787.db2.gz DYFAPLXCYSOPTJ-RKDXNWHRSA-N -1 0 312.326 -0.515 20 0 DBADRM COCc1nnc2n1CCN(CCC(=O)N(C)CC(=O)[O-])C2 ZINC001599308996 1017584203 /nfs/dbraw/zinc/58/42/03/1017584203.db2.gz ZKWMCPWGDUONAA-UHFFFAOYSA-N -1 0 311.342 -0.827 20 0 DBADRM COCc1nsc(N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)n1 ZINC001599306685 1017584415 /nfs/dbraw/zinc/58/44/15/1017584415.db2.gz FZGHQQBIWSFCGH-BQBZGAKWSA-N -1 0 301.324 -0.006 20 0 DBADRM CON1CCC(CC(=O)N[C@H](Cn2cncn2)C(=O)[O-])CC1 ZINC001599318062 1017586669 /nfs/dbraw/zinc/58/66/69/1017586669.db2.gz DJYWSARYZHUNFW-LLVKDONJSA-N -1 0 311.342 -0.489 20 0 DBADRM CON(C(=O)CN(C)CC(=O)NC(C)C)[C@@H](C)CC(=O)[O-] ZINC001599309844 1017586695 /nfs/dbraw/zinc/58/66/95/1017586695.db2.gz LTIHHYLWUVDSTH-JTQLQIEISA-N -1 0 303.359 -0.304 20 0 DBADRM CON(CC1CCOCC1)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001599317290 1017586965 /nfs/dbraw/zinc/58/69/65/1017586965.db2.gz HNYVRSPVVLHSGP-PHIMTYICSA-N -1 0 314.338 -0.218 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])C[C@H]1O ZINC001599323357 1017589008 /nfs/dbraw/zinc/58/90/08/1017589008.db2.gz NKPFYSXSJVCWHI-GWOFURMSSA-N -1 0 307.368 -0.349 20 0 DBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001599321934 1017589018 /nfs/dbraw/zinc/58/90/18/1017589018.db2.gz HWBOJOYBVROEOG-WFBLGPOFSA-N -1 0 307.368 -0.037 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001599322405 1017589654 /nfs/dbraw/zinc/58/96/54/1017589654.db2.gz MHWPGBLOYMZDTN-LMLFDSFASA-N -1 0 314.338 -0.772 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])C[C@H]1O ZINC001599323520 1017590058 /nfs/dbraw/zinc/59/00/58/1017590058.db2.gz XNEKHGIPAZFYDG-RKDXNWHRSA-N -1 0 319.310 -0.096 20 0 DBADRM CO[C@@H]1CN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C[C@@H]1OC ZINC001599325505 1017591046 /nfs/dbraw/zinc/59/10/46/1017591046.db2.gz GYHBOELDOKMFEM-GARJFASQSA-N -1 0 314.338 -0.818 20 0 DBADRM CO[C@H](C)CNC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001599325145 1017591372 /nfs/dbraw/zinc/59/13/72/1017591372.db2.gz IEFJUAAXMQOSKC-BXUZGUMPSA-N -1 0 315.370 -0.408 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C[C@@H]1OC ZINC001599325917 1017591524 /nfs/dbraw/zinc/59/15/24/1017591524.db2.gz UKFWZWKLRAQYSA-AOOOYVTPSA-N -1 0 323.305 -0.410 20 0 DBADRM CO[C@]12CCC[C@@]1(C(=O)N[C@H](Cn1cncn1)C(=O)[O-])CCO2 ZINC001599327328 1017591613 /nfs/dbraw/zinc/59/16/13/1017591613.db2.gz JNNCNAXUTLAFQZ-SWHYSGLUSA-N -1 0 324.337 -0.219 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599328609 1017591861 /nfs/dbraw/zinc/59/18/61/1017591861.db2.gz IXUKOZPLQTYEBJ-WDSKDSINSA-N -1 0 313.266 -0.790 20 0 DBADRM CO[C@@H]1CN(c2nnnn2[C@@H]2CC[C@H](C(=O)[O-])C2)C[C@@H]1OC ZINC001599326012 1017592298 /nfs/dbraw/zinc/59/22/98/1017592298.db2.gz NEEAKZIHVCAZPQ-ZRUFSTJUSA-N -1 0 311.342 -0.051 20 0 DBADRM CO[C@@H]1CN(c2nnnn2[C@@H]2CC=C(C(=O)[O-])C2)C[C@@H]1OC ZINC001599326088 1017592787 /nfs/dbraw/zinc/59/27/87/1017592787.db2.gz ONMMORJXRJPDOW-MXWKQRLJSA-N -1 0 309.326 -0.131 20 0 DBADRM COc1c(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])cnn1C ZINC001599329025 1017592971 /nfs/dbraw/zinc/59/29/71/1017592971.db2.gz PMNHBJRUNOOUOX-RKDXNWHRSA-N -1 0 324.337 -0.662 20 0 DBADRM CO[C@]12CCC[C@@]1(C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])CCO2 ZINC001599327327 1017593183 /nfs/dbraw/zinc/59/31/83/1017593183.db2.gz JNNCNAXUTLAFQZ-BPNCWPANSA-N -1 0 324.337 -0.219 20 0 DBADRM COc1cc(C(=O)[O-])cc(NC(=O)CN2C(=O)CNC2=O)c1O ZINC001599358732 1017594097 /nfs/dbraw/zinc/59/40/97/1017594097.db2.gz LKYUPKGQPICQCH-UHFFFAOYSA-N -1 0 323.261 -0.411 20 0 DBADRM COc1c[nH]c(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)cc1=O ZINC001599345935 1017594148 /nfs/dbraw/zinc/59/41/48/1017594148.db2.gz VAAMJKSWWIBLNS-BDAKNGLRSA-N -1 0 310.306 -0.149 20 0 DBADRM COc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])ncn1 ZINC001599351225 1017594443 /nfs/dbraw/zinc/59/44/43/1017594443.db2.gz VKHWKVTYEIMDDS-SECBINFHSA-N -1 0 308.294 -0.709 20 0 DBADRM COc1c(NC(=O)Cn2cnc(C(N)=O)n2)cccc1C(=O)[O-] ZINC001599337718 1017594535 /nfs/dbraw/zinc/59/45/35/1017594535.db2.gz BAEGBOCWNVBMKI-UHFFFAOYSA-N -1 0 319.277 -0.278 20 0 DBADRM COc1cc(C(=O)[O-])cc(NC(=O)CN2CCOCC2=O)c1O ZINC001599358596 1017594693 /nfs/dbraw/zinc/59/46/93/1017594693.db2.gz JRGLJTHYBVGMOC-UHFFFAOYSA-N -1 0 324.289 -0.104 20 0 DBADRM COc1c(NC(=O)C(=O)N2CCNC(=O)C2)cccc1C(=O)[O-] ZINC001599336487 1017595212 /nfs/dbraw/zinc/59/52/12/1017595212.db2.gz JTEHWTFZQJPTAD-UHFFFAOYSA-N -1 0 321.289 -0.710 20 0 DBADRM COc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])sn1 ZINC001599351490 1017595409 /nfs/dbraw/zinc/59/54/09/1017595409.db2.gz WBYLIXLNLFIUOT-ZCFIWIBFSA-N -1 0 320.348 -0.525 20 0 DBADRM COc1cc(NC(=O)C(=O)NCc2ccoc2C(=O)[O-])nn1C ZINC001599428803 1017596311 /nfs/dbraw/zinc/59/63/11/1017596311.db2.gz CPWMMSHLHQVUHB-UHFFFAOYSA-N -1 0 322.277 -0.025 20 0 DBADRM COc1cc(CNC(=O)NCc2nnn(C)n2)ccc1C(=O)[O-] ZINC001599411289 1017596600 /nfs/dbraw/zinc/59/66/00/1017596600.db2.gz OIJLBMQHGLYTMS-UHFFFAOYSA-N -1 0 320.309 -0.084 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)ncn1 ZINC001599429921 1017597386 /nfs/dbraw/zinc/59/73/86/1017597386.db2.gz XKWHCHYWHNIWEU-LBPRGKRZSA-N -1 0 312.257 -0.551 20 0 DBADRM COc1cc(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])ccc1O ZINC001599401268 1017597450 /nfs/dbraw/zinc/59/74/50/1017597450.db2.gz RCNBVJJCQLRLAB-JTQLQIEISA-N -1 0 322.317 -0.255 20 0 DBADRM COc1cc(C(N)=O)ccc1NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001599390177 1017598436 /nfs/dbraw/zinc/59/84/36/1017598436.db2.gz SYVUHZGUYYFCJQ-UHFFFAOYSA-N -1 0 309.278 -0.543 20 0 DBADRM COc1ccc([C@@H](NC(=O)[C@H]2CN(C)CCO2)C(=O)[O-])cc1O ZINC001599520348 1017599693 /nfs/dbraw/zinc/59/96/93/1017599693.db2.gz ZYGYGHBLQQWEQB-CHWSQXEVSA-N -1 0 324.333 -0.027 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N[C@H]2C[C@@H](O)C2)c1 ZINC001599489346 1017599759 /nfs/dbraw/zinc/59/97/59/1017599759.db2.gz MVAUIYIQSBONIF-OCAPTIKFSA-N -1 0 308.290 -0.029 20 0 DBADRM COc1ccc([C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C(=O)[O-])cc1 ZINC001599518888 1017600530 /nfs/dbraw/zinc/60/05/30/1017600530.db2.gz JXVCYYPKYZNFLA-NOZJJQNGSA-N -1 0 320.301 -0.010 20 0 DBADRM COc1ccc([C@@H](NC(=O)[C@H]2CC(=O)N2)C(=O)[O-])c(OC)c1 ZINC001599516439 1017600761 /nfs/dbraw/zinc/60/07/61/1017600761.db2.gz CYFHICIKQSOTAG-BXKDBHETSA-N -1 0 308.290 -0.166 20 0 DBADRM COc1ccc([C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C(=O)[O-])cc1 ZINC001599518895 1017600776 /nfs/dbraw/zinc/60/07/76/1017600776.db2.gz JXVCYYPKYZNFLA-TVQRCGJNSA-N -1 0 320.301 -0.010 20 0 DBADRM COc1cc(NC(=O)NN2CC(=O)NC2=O)ccc1C(=O)[O-] ZINC001599439537 1017601063 /nfs/dbraw/zinc/60/10/63/1017601063.db2.gz FKSKWVOKTIWPAG-UHFFFAOYSA-N -1 0 308.250 -0.018 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N2CC(CO)C2)cc1C(=O)[O-] ZINC001599564557 1017603705 /nfs/dbraw/zinc/60/37/05/1017603705.db2.gz NAIUBFPNUWWVDH-UHFFFAOYSA-N -1 0 322.317 -0.540 20 0 DBADRM COc1ccc(COC[C@H](O)Cn2nnc(CC(=O)[O-])n2)cc1 ZINC001599575274 1017603789 /nfs/dbraw/zinc/60/37/89/1017603789.db2.gz RWBCVGXXEYUEHJ-LLVKDONJSA-N -1 0 322.321 -0.114 20 0 DBADRM COc1ccc(CN(C)C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])cn1 ZINC001599556726 1017604136 /nfs/dbraw/zinc/60/41/36/1017604136.db2.gz MMPCSISBSXURSN-GHMZBOCLSA-N -1 0 321.333 -0.115 20 0 DBADRM COc1ccc2c(c1)OC[C@@H]2CC(=O)NCC(=O)NCC(=O)[O-] ZINC001599632153 1017604877 /nfs/dbraw/zinc/60/48/77/1017604877.db2.gz FYCIJBAIDZCMRA-VIFPVBQESA-N -1 0 322.317 -0.122 20 0 DBADRM COc1ccc2c(c1)OC[C@H]2CC(=O)NCC(=O)NCC(=O)[O-] ZINC001599632152 1017606191 /nfs/dbraw/zinc/60/61/91/1017606191.db2.gz FYCIJBAIDZCMRA-SECBINFHSA-N -1 0 322.317 -0.122 20 0 DBADRM COc1cccc(CC(=O)N[C@H](CC2OCCO2)C(=O)[O-])n1 ZINC001599664483 1017606204 /nfs/dbraw/zinc/60/62/04/1017606204.db2.gz DEIBDTAMKKEYRL-SNVBAGLBSA-N -1 0 310.306 -0.035 20 0 DBADRM COc1cccc(CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC001599666223 1017606217 /nfs/dbraw/zinc/60/62/17/1017606217.db2.gz WRDJTWOEMLXZOH-SNVBAGLBSA-N -1 0 307.306 -0.566 20 0 DBADRM COc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]2O)c(C(=O)[O-])c1 ZINC001599588742 1017606352 /nfs/dbraw/zinc/60/63/52/1017606352.db2.gz GPRQJGVCORSZSG-GHMZBOCLSA-N -1 0 308.290 -0.029 20 0 DBADRM COc1cccc(-c2nc(C(=O)N[C@H](CO)C(=O)[O-])no2)c1 ZINC001599639924 1017606397 /nfs/dbraw/zinc/60/63/97/1017606397.db2.gz CLMWTJFHLHVYOX-SECBINFHSA-N -1 0 307.262 -0.080 20 0 DBADRM COc1cccc([C@H](C(=O)[O-])N2CCN(CC(N)=O)C(=O)C2)c1 ZINC001599650433 1017606605 /nfs/dbraw/zinc/60/66/05/1017606605.db2.gz MOZPGJVJENQWSU-CQSZACIVSA-N -1 0 321.333 -0.550 20 0 DBADRM COc1ccccc1C[C@H](CNC(=O)[C@H]1CC(=O)N1)C(=O)[O-] ZINC001599706586 1017607735 /nfs/dbraw/zinc/60/77/35/1017607735.db2.gz NPXGLSZNQXELOS-GHMZBOCLSA-N -1 0 306.318 -0.057 20 0 DBADRM COc1ccccc1[C@H](CO)NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001599696903 1017608002 /nfs/dbraw/zinc/60/80/02/1017608002.db2.gz AIFVJWQEMFMRII-NSHDSACASA-N -1 0 320.305 -0.165 20 0 DBADRM COc1cccc(C[C@H](O)C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC001599671145 1017608392 /nfs/dbraw/zinc/60/83/92/1017608392.db2.gz ATJXEFDJQHFDCV-RTXFEEFZSA-N -1 0 309.318 -0.355 20 0 DBADRM COc1cccn2c(=O)n(Cc3cn(CC(=O)[O-])nn3)nc12 ZINC001599719524 1017608986 /nfs/dbraw/zinc/60/89/86/1017608986.db2.gz SYFHJMXKQMQXTK-UHFFFAOYSA-N -1 0 304.266 -0.771 20 0 DBADRM COc1cccc(OC)c1CC(=O)NCC(=O)NCC(=O)[O-] ZINC001599680996 1017609189 /nfs/dbraw/zinc/60/91/89/1017609189.db2.gz VCIGFJCWICPRDQ-UHFFFAOYSA-N -1 0 310.306 -0.437 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599699842 1017609406 /nfs/dbraw/zinc/60/94/06/1017609406.db2.gz HVDFFTBNVHQHRX-GXFFZTMASA-N -1 0 322.317 -0.217 20 0 DBADRM COc1cncc(S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-])c1 ZINC001599727156 1017610763 /nfs/dbraw/zinc/61/07/63/1017610763.db2.gz KWNORTPGVFUHOG-VIFPVBQESA-N -1 0 304.324 -0.407 20 0 DBADRM COc1cnc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)nc1 ZINC001599723630 1017610948 /nfs/dbraw/zinc/61/09/48/1017610948.db2.gz OSESOLRNMCKHEX-MRVPVSSYSA-N -1 0 318.293 -0.138 20 0 DBADRM COc1ccnc(OC)c1NC(=O)NCC(=O)NCC(=O)[O-] ZINC001599722860 1017611151 /nfs/dbraw/zinc/61/11/51/1017611151.db2.gz VZXLAYYVDKRXGH-UHFFFAOYSA-N -1 0 312.282 -0.579 20 0 DBADRM COc1cncc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)n1 ZINC001599725586 1017611164 /nfs/dbraw/zinc/61/11/64/1017611164.db2.gz LRMFODIAGYMNAN-CYBMUJFWSA-N -1 0 306.278 -0.069 20 0 DBADRM COc1coc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cc1=O ZINC001599727921 1017611296 /nfs/dbraw/zinc/61/12/96/1017611296.db2.gz ZLHPUCFFBWKVLX-LBPRGKRZSA-N -1 0 311.290 -0.054 20 0 DBADRM COc1cncc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC001599727305 1017611643 /nfs/dbraw/zinc/61/16/43/1017611643.db2.gz SWXVZAKBVPCCJG-QMMMGPOBSA-N -1 0 324.293 -0.874 20 0 DBADRM COc1cnc(F)c(C(=O)OCC(=O)NCCC(=O)[O-])c1 ZINC001599724065 1017611652 /nfs/dbraw/zinc/61/16/52/1017611652.db2.gz ANIXBMAECJNUHQ-UHFFFAOYSA-N -1 0 300.242 -0.023 20 0 DBADRM COc1cnc(NC(=O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)nc1 ZINC001599724667 1017611785 /nfs/dbraw/zinc/61/17/85/1017611785.db2.gz MERFRVIQTGIXMQ-CYBMUJFWSA-N -1 0 324.293 -0.826 20 0 DBADRM COc1cnc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])nc1 ZINC001599723905 1017611816 /nfs/dbraw/zinc/61/18/16/1017611816.db2.gz YHZAEMQIJGERAR-NXEZZACHSA-N -1 0 322.321 -0.606 20 0 DBADRM COc1ncc(CN2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c(C)n1 ZINC001599734357 1017612862 /nfs/dbraw/zinc/61/28/62/1017612862.db2.gz LMOUEVSNFQMDOH-VXGBXAGGSA-N -1 0 320.349 -0.185 20 0 DBADRM COc1nccc(CN2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001599735008 1017612899 /nfs/dbraw/zinc/61/28/99/1017612899.db2.gz CYTDFYUPQSAFGS-NWDGAFQWSA-N -1 0 320.349 -0.150 20 0 DBADRM COc1ncc(N[C@@H]2CCN(CCC(=O)[O-])C2=O)cc1C(N)=O ZINC001599734448 1017613224 /nfs/dbraw/zinc/61/32/24/1017613224.db2.gz SZIYMCIORJUVSR-SNVBAGLBSA-N -1 0 322.321 -0.323 20 0 DBADRM COc1cccnc1C(=O)NCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001599732464 1017613406 /nfs/dbraw/zinc/61/34/06/1017613406.db2.gz QVPDSBSLSNTTST-IUCAKERBSA-N -1 0 307.306 -0.343 20 0 DBADRM COc1nc(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)co1 ZINC001599730218 1017613460 /nfs/dbraw/zinc/61/34/60/1017613460.db2.gz MYWBFULQMDKHHG-IUCAKERBSA-N -1 0 323.305 -0.408 20 0 DBADRM COc1ncnc(N(C)C)c1NC(=O)NC[C@@H](O)CC(=O)[O-] ZINC001599738268 1017613793 /nfs/dbraw/zinc/61/37/93/1017613793.db2.gz BDNUWYDVAHYYGA-ZETCQYMHSA-N -1 0 313.314 -0.492 20 0 DBADRM COc1nc(N2CCN(C(=O)[C@@H](C)O)CC2)ccc1C(=O)[O-] ZINC001599730810 1017613911 /nfs/dbraw/zinc/61/39/11/1017613911.db2.gz OCXCSRKNYMNMPB-SECBINFHSA-N -1 0 309.322 -0.182 20 0 DBADRM COc1nccc(CN2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001599735009 1017613992 /nfs/dbraw/zinc/61/39/92/1017613992.db2.gz CYTDFYUPQSAFGS-RYUDHWBXSA-N -1 0 320.349 -0.150 20 0 DBADRM COc1cccnc1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001599732845 1017614062 /nfs/dbraw/zinc/61/40/62/1017614062.db2.gz XUTXQBYOFXXWST-UHFFFAOYSA-N -1 0 323.349 -0.051 20 0 DBADRM COc1ncc(/C=C/C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001599734817 1017614197 /nfs/dbraw/zinc/61/41/97/1017614197.db2.gz CCZKHDCMSQUQGQ-KOBKQOIESA-N -1 0 307.306 -0.065 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001599739490 1017614848 /nfs/dbraw/zinc/61/48/48/1017614848.db2.gz NOTIZYDWYQLATH-JGVFFNPUSA-N -1 0 308.294 -0.255 20 0 DBADRM CS(=O)(=O)[C@H]1CCCCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1 ZINC001599744576 1017615607 /nfs/dbraw/zinc/61/56/07/1017615607.db2.gz BPEMMYZWBXDNAX-UWVGGRQHSA-N -1 0 320.367 -0.252 20 0 DBADRM C[S@](=N)(=O)N1CCN(C(=O)c2cc(C(=O)[O-])on2)CC1 ZINC001599743373 1017615674 /nfs/dbraw/zinc/61/56/74/1017615674.db2.gz SCTGAEAURVJCFU-HXUWFJFHSA-N -1 0 302.312 -0.278 20 0 DBADRM COc1ncncc1NC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001599739147 1017615958 /nfs/dbraw/zinc/61/59/58/1017615958.db2.gz IXHARBIGZIMXGC-UHFFFAOYSA-N -1 0 319.281 -0.136 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)CCc2ocnc2C(=O)[O-])CC1 ZINC001599745028 1017615981 /nfs/dbraw/zinc/61/59/81/1017615981.db2.gz NFIDFAGMPHUAIP-UHFFFAOYSA-N -1 0 316.335 -0.001 20 0 DBADRM CS(=O)(=O)[C@H]1CCC[C@@H](NCc2cn(CC(=O)[O-])nn2)C1 ZINC001599744780 1017616201 /nfs/dbraw/zinc/61/62/01/1017616201.db2.gz GANBROLCNOFEPB-KOLCDFICSA-N -1 0 316.383 -0.192 20 0 DBADRM COc1nscc1S(=O)(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001599742569 1017616250 /nfs/dbraw/zinc/61/62/50/1017616250.db2.gz ATSKKIVNPYYGJP-UHFFFAOYSA-N -1 0 322.364 -0.344 20 0 DBADRM CS(=O)(=O)C1(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)CCC1 ZINC001599742982 1017616508 /nfs/dbraw/zinc/61/65/08/1017616508.db2.gz BHCXJKVDPNSKAS-UWVGGRQHSA-N -1 0 319.379 -0.193 20 0 DBADRM COc1nn(C)cc1C(=O)NCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001599738753 1017616557 /nfs/dbraw/zinc/61/65/57/1017616557.db2.gz GFUWVLOPYFFDNA-IUCAKERBSA-N -1 0 324.337 -0.662 20 0 DBADRM CS(=O)(=O)C1(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)CCC1 ZINC001599743149 1017616640 /nfs/dbraw/zinc/61/66/40/1017616640.db2.gz CWUQKKVLAXARDH-NSHDSACASA-N -1 0 305.352 -0.439 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001599747553 1017617673 /nfs/dbraw/zinc/61/76/73/1017617673.db2.gz BFFVJFGWZTZDAM-KXUCPTDWSA-N -1 0 307.368 -0.601 20 0 DBADRM CS(=O)(=O)C1CCC(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001599746193 1017617873 /nfs/dbraw/zinc/61/78/73/1017617873.db2.gz WXWNXBOZSCBRND-WFBLGPOFSA-N -1 0 319.379 -0.052 20 0 DBADRM CS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001599747145 1017617966 /nfs/dbraw/zinc/61/79/66/1017617966.db2.gz GRODIAWBQHJVLZ-ZETCQYMHSA-N -1 0 322.364 -0.480 20 0 DBADRM CS(=O)(=O)[C@@H]1CCN([C@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001599746904 1017617979 /nfs/dbraw/zinc/61/79/79/1017617979.db2.gz UBWSGUIVMAKQFL-ZJUUUORDSA-N -1 0 304.368 -0.819 20 0 DBADRM CS(=O)(=O)C1CN(C(=O)Nc2ccc(C(=O)[O-])nn2)C1 ZINC001599747293 1017618409 /nfs/dbraw/zinc/61/84/09/1017618409.db2.gz NVTRWPHLBXFJDB-UHFFFAOYSA-N -1 0 300.296 -0.565 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001599748448 1017618453 /nfs/dbraw/zinc/61/84/53/1017618453.db2.gz FTWSOSCTHJFWAD-AEJSXWLSSA-N -1 0 305.352 -0.488 20 0 DBADRM CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001599747144 1017618524 /nfs/dbraw/zinc/61/85/24/1017618524.db2.gz GRODIAWBQHJVLZ-SSDOTTSWSA-N -1 0 322.364 -0.480 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1 ZINC001599745329 1017618590 /nfs/dbraw/zinc/61/85/90/1017618590.db2.gz YTOUYEOVMHZBSY-BRPSZJMVSA-N -1 0 302.352 -0.464 20 0 DBADRM CS(=O)(=O)C1CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)CC1 ZINC001599746617 1017619019 /nfs/dbraw/zinc/61/90/19/1017619019.db2.gz LGRBJFUPFQWICV-LLVKDONJSA-N -1 0 318.395 -0.429 20 0 DBADRM CS(=O)(=O)CCCC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001599750609 1017619899 /nfs/dbraw/zinc/61/98/99/1017619899.db2.gz KKDNEQVCLVVYGD-ZJUUUORDSA-N -1 0 307.368 -0.050 20 0 DBADRM CS(=O)(=O)CCCCCNC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001599750150 1017620176 /nfs/dbraw/zinc/62/01/76/1017620176.db2.gz LCUPXEQRFJUQPU-UHFFFAOYSA-N -1 0 317.367 -0.088 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)C2(C(=O)[O-])CC2)n1 ZINC001599752947 1017620428 /nfs/dbraw/zinc/62/04/28/1017620428.db2.gz RRSKXDWDQLNFCU-UHFFFAOYSA-N -1 0 301.324 -0.269 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001599750372 1017620449 /nfs/dbraw/zinc/62/04/49/1017620449.db2.gz DBCODOROMWJUCL-MRVPVSSYSA-N -1 0 315.351 -0.033 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN([C@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001599749892 1017620623 /nfs/dbraw/zinc/62/06/23/1017620623.db2.gz ZOWJTPJRTILWEK-QWRGUYRKSA-N -1 0 318.395 -0.572 20 0 DBADRM CS(=O)(=O)C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])c1ccccc1 ZINC001599749758 1017620716 /nfs/dbraw/zinc/62/07/16/1017620716.db2.gz WQFOGUXPFKOMFF-QWRGUYRKSA-N -1 0 315.347 -0.624 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)Oc1cccnc1C(=O)[O-] ZINC001599750970 1017620731 /nfs/dbraw/zinc/62/07/31/1017620731.db2.gz RUGDCGOZJHACBZ-UHFFFAOYSA-N -1 0 323.348 -0.077 20 0 DBADRM CS(=O)(=O)CCCN1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001599751010 1017620878 /nfs/dbraw/zinc/62/08/78/1017620878.db2.gz VEOGJFPTIZGZCD-IUCAKERBSA-N -1 0 318.351 -0.452 20 0 DBADRM CS(=O)(=O)CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC001599751795 1017620978 /nfs/dbraw/zinc/62/09/78/1017620978.db2.gz ZSCAMZBMWQKEMH-WDEREUQCSA-N -1 0 318.395 -0.668 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1 ZINC001599753796 1017622653 /nfs/dbraw/zinc/62/26/53/1017622653.db2.gz GRNODSRROORPMG-OYBPUVFXSA-N -1 0 316.379 -0.507 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001599755587 1017622984 /nfs/dbraw/zinc/62/29/84/1017622984.db2.gz LGAZMDVNLADXTP-QYTUQVAYSA-N -1 0 316.379 -0.220 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001599754215 1017623144 /nfs/dbraw/zinc/62/31/44/1017623144.db2.gz NRKQPFNNZOETBU-UHFFFAOYSA-N -1 0 302.308 -0.401 20 0 DBADRM CS(=O)(=O)Cc1nc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])cs1 ZINC001599753597 1017623209 /nfs/dbraw/zinc/62/32/09/1017623209.db2.gz ZQYIPRQQEHKMQE-DTWKUNHWSA-N -1 0 320.392 -0.293 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)c2cc(C(=O)[O-])on2)CC1 ZINC001599755607 1017623482 /nfs/dbraw/zinc/62/34/82/1017623482.db2.gz LZSLSXFTQBIJNQ-UHFFFAOYSA-N -1 0 317.323 -0.520 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001599757975 1017624546 /nfs/dbraw/zinc/62/45/46/1017624546.db2.gz NUQXRADDFYGMNW-ZNSHCXBVSA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)c2cc(C(=O)[O-])co2)C1 ZINC001599757162 1017624569 /nfs/dbraw/zinc/62/45/69/1017624569.db2.gz CWNYNOZOQUNYIO-UHFFFAOYSA-N -1 0 302.308 -0.212 20 0 DBADRM CS(=O)(=O)NCC1CCN(c2nccnc2C(=O)[O-])CC1 ZINC001599759141 1017624912 /nfs/dbraw/zinc/62/49/12/1017624912.db2.gz JAESBJVEAINWTI-UHFFFAOYSA-N -1 0 314.367 -0.060 20 0 DBADRM CS(=O)(=O)NCCC(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001599758961 1017625431 /nfs/dbraw/zinc/62/54/31/1017625431.db2.gz BWXSFISJVHDNOP-UHFFFAOYSA-N -1 0 322.383 -0.687 20 0 DBADRM CS(=O)(=O)NCC1CCN(Cn2cc(C(=O)[O-])nn2)CC1 ZINC001599759395 1017625679 /nfs/dbraw/zinc/62/56/79/1017625679.db2.gz SAABSQBTTPDUHN-UHFFFAOYSA-N -1 0 317.371 -0.805 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@@H]1CCCCO1)C(=O)[O-] ZINC001599762716 1017626526 /nfs/dbraw/zinc/62/65/26/1017626526.db2.gz MVUNQZQDIDUPFD-HOTUBEGUSA-N -1 0 305.352 -0.440 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@H]1CCCS1)C(=O)[O-] ZINC001599763279 1017626986 /nfs/dbraw/zinc/62/69/86/1017626986.db2.gz YHOHIEIMEZGPEE-VHSKPIJISA-N -1 0 307.393 -0.114 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C[C@H]1CCCO1)C(=O)[O-] ZINC001599762928 1017627074 /nfs/dbraw/zinc/62/70/74/1017627074.db2.gz MXZWZNXAAQHJOQ-VDDIYKPWSA-N -1 0 305.352 -0.440 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CCCCCO)C(=O)[O-] ZINC001599762257 1017627393 /nfs/dbraw/zinc/62/73/93/1017627393.db2.gz BFNQOQDBULZTNI-JOYOIKCWSA-N -1 0 307.368 -0.457 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@@H]1CCC=CO1)C(=O)[O-] ZINC001599762188 1017627412 /nfs/dbraw/zinc/62/74/12/1017627412.db2.gz GBMBULRFUPSIAM-HOTUBEGUSA-N -1 0 303.336 -0.317 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C1(O)CCCC1)C(=O)[O-] ZINC001599762773 1017627471 /nfs/dbraw/zinc/62/74/71/1017627471.db2.gz ODZYILPFJZKWLW-GZMMTYOYSA-N -1 0 305.352 -0.704 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)COCC(F)F)C(=O)[O-] ZINC001599762614 1017627705 /nfs/dbraw/zinc/62/77/05/1017627705.db2.gz HMDWBWUJHSRCGX-QUBYGPBYSA-N -1 0 315.294 -0.728 20 0 DBADRM CS(=O)(=O)Nc1cccc(CN2CC(O)(C(=O)[O-])C2)c1 ZINC001599760115 1017627779 /nfs/dbraw/zinc/62/77/79/1017627779.db2.gz MUSZICOIKFUDMP-UHFFFAOYSA-N -1 0 300.336 -0.311 20 0 DBADRM CS(=O)(=O)c1ccccc1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001599774240 1017629011 /nfs/dbraw/zinc/62/90/11/1017629011.db2.gz LSKQDDLVMNLYBA-CYBMUJFWSA-N -1 0 313.331 -0.248 20 0 DBADRM C[S@@](=O)C1(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1 ZINC001599774982 1017629123 /nfs/dbraw/zinc/62/91/23/1017629123.db2.gz FMWSSCDHIZNERX-JLTPVHFHSA-N -1 0 316.379 -0.663 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)s1 ZINC001599768309 1017629249 /nfs/dbraw/zinc/62/92/49/1017629249.db2.gz KQARTYDGBMESET-JCJUMFQOSA-N -1 0 319.360 -0.141 20 0 DBADRM CS(=O)(=O)c1nccc(C(=O)N[C@H](CC(F)F)C(=O)[O-])n1 ZINC001599774921 1017629899 /nfs/dbraw/zinc/62/98/99/1017629899.db2.gz DQIZFOHYQFNAJP-ZCFIWIBFSA-N -1 0 323.277 -0.282 20 0 DBADRM C[S@@](=O)CCCNC(=O)COCc1ocnc1C(=O)[O-] ZINC001599774999 1017630000 /nfs/dbraw/zinc/63/00/00/1017630000.db2.gz IFXPLWYAHRPSOV-HXUWFJFHSA-N -1 0 304.324 -0.226 20 0 DBADRM CS(=O)(=O)c1ccc(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)o1 ZINC001599769748 1017630010 /nfs/dbraw/zinc/63/00/10/1017630010.db2.gz BZOFKOZLXVHUDM-IUCAKERBSA-N -1 0 303.336 -0.050 20 0 DBADRM CS(=O)(=O)c1nccc(C(=O)N[C@H](CC2CC2)C(=O)[O-])n1 ZINC001599775025 1017630107 /nfs/dbraw/zinc/63/01/07/1017630107.db2.gz FYLCJUPQFGFGPW-SECBINFHSA-N -1 0 313.335 -0.137 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001599777655 1017632061 /nfs/dbraw/zinc/63/20/61/1017632061.db2.gz XPLHCBLRTAFUOD-NRFANRHFSA-N -1 0 316.310 -0.043 20 0 DBADRM CS(=O)(=O)c1nccc(C(=O)NCCCCC(=O)[O-])n1 ZINC001599775783 1017632076 /nfs/dbraw/zinc/63/20/76/1017632076.db2.gz QRWURISNQUHVPS-UHFFFAOYSA-N -1 0 301.324 -0.135 20 0 DBADRM C[S@](=O)CCN1CCN(C[C@H]2[C@H](C(=O)[O-])C2(F)F)CC1 ZINC001599776390 1017632329 /nfs/dbraw/zinc/63/23/29/1017632329.db2.gz HBZCBUNXBBGMMC-AUKWLOTRSA-N -1 0 310.366 -0.052 20 0 DBADRM C[S@@](=O)C1(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001599775880 1017632522 /nfs/dbraw/zinc/63/25/22/1017632522.db2.gz UMIRTAHAGHRKDG-OAQYLSRUSA-N -1 0 316.379 -0.663 20 0 DBADRM CSCCn1nnnc1N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001599801987 1017633397 /nfs/dbraw/zinc/63/33/97/1017633397.db2.gz ONHIZUJSKVJUFR-JOYOIKCWSA-N -1 0 313.383 -0.036 20 0 DBADRM CSCCCCNC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599799402 1017633513 /nfs/dbraw/zinc/63/35/13/1017633513.db2.gz JGPUZAZBLGUZSU-UWVGGRQHSA-N -1 0 318.395 -0.054 20 0 DBADRM CSCC[C@@H](C)NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599794927 1017633959 /nfs/dbraw/zinc/63/39/59/1017633959.db2.gz CTXKLGJZSQIGGD-UTLUCORTSA-N -1 0 318.395 -0.055 20 0 DBADRM CSCC[C@H](OC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)[O-] ZINC001599798900 1017634232 /nfs/dbraw/zinc/63/42/32/1017634232.db2.gz YDLLATXTFXWGHP-QMMMGPOBSA-N -1 0 316.335 -0.704 20 0 DBADRM CS[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001599789070 1017634452 /nfs/dbraw/zinc/63/44/52/1017634452.db2.gz OVPQDXBCXAOFKL-RKDXNWHRSA-N -1 0 316.379 -0.565 20 0 DBADRM CSc1nc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n[nH]1 ZINC001599829031 1017634463 /nfs/dbraw/zinc/63/44/63/1017634463.db2.gz KZLSGFPXLMEAFU-ZCFIWIBFSA-N -1 0 313.339 -0.212 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC001599832841 1017634790 /nfs/dbraw/zinc/63/47/90/1017634790.db2.gz ZKHMXDUCIIIODK-QMMMGPOBSA-N -1 0 316.335 -0.308 20 0 DBADRM CSC[C@H](CCO)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599792084 1017634806 /nfs/dbraw/zinc/63/48/06/1017634806.db2.gz GPFSBHPNXHIKGL-CIUDSAMLSA-N -1 0 321.399 -0.623 20 0 DBADRM C[C@@H](CC(=O)[O-])OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC001599834589 1017636521 /nfs/dbraw/zinc/63/65/21/1017636521.db2.gz HBXRRRLOMYUKKM-ZETCQYMHSA-N -1 0 321.289 -0.348 20 0 DBADRM C[C@@H](O)C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC001599842247 1017637012 /nfs/dbraw/zinc/63/70/12/1017637012.db2.gz ZAWWSMJGXVESMP-SSDOTTSWSA-N -1 0 302.308 -0.631 20 0 DBADRM C[C@@H](O)CN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001599843041 1017637100 /nfs/dbraw/zinc/63/71/00/1017637100.db2.gz QBMDUVSGTDLWFK-SKDRFNHKSA-N -1 0 322.317 -0.296 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)[O-] ZINC001599845938 1017638316 /nfs/dbraw/zinc/63/83/16/1017638316.db2.gz KZUPQFKGRVLKGN-XCBNKYQSSA-N -1 0 316.335 -0.378 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@H]1Cc2cc(F)ccc2NC1=O)C(=O)[O-] ZINC001599844637 1017638371 /nfs/dbraw/zinc/63/83/71/1017638371.db2.gz SBUWXSURYAUAJS-PUMQYWBSSA-N -1 0 310.281 -0.113 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1c2c(nn1C)CCCC2)C(=O)[O-] ZINC001599845167 1017638949 /nfs/dbraw/zinc/63/89/49/1017638949.db2.gz NKGOMCIZHSCRGG-XCBNKYQSSA-N -1 0 317.367 -0.589 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccoc1C1(O)CCOCC1)C(=O)[O-] ZINC001599846048 1017639106 /nfs/dbraw/zinc/63/91/06/1017639106.db2.gz QNKDDUJMGCPEAD-SCZZXKLOSA-N -1 0 313.306 -0.159 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)Cn1cc(-c2ccccc2)nn1)C(=O)[O-] ZINC001599844140 1017639483 /nfs/dbraw/zinc/63/94/83/1017639483.db2.gz ZKORPJCLHJCORS-RNCFNFMXSA-N -1 0 304.306 -0.105 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)[O-] ZINC001599843257 1017639506 /nfs/dbraw/zinc/63/95/06/1017639506.db2.gz CEGZHZSZXHWPPQ-VHRDEZTHSA-N -1 0 308.290 -0.274 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)[C@H](C)C1 ZINC001599848064 1017639558 /nfs/dbraw/zinc/63/95/58/1017639558.db2.gz DPXCDVCWXMUOLR-DDHJBXDOSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@]1(c2ccccc2)CNC(=O)C1)C(=O)[O-] ZINC001599844764 1017639657 /nfs/dbraw/zinc/63/96/57/1017639657.db2.gz WKXWOCOMHKMKJO-MURWCNHISA-N -1 0 306.318 -0.606 20 0 DBADRM C[C@@H]1CN(C(=O)C2=NN(CCO)C(=O)CC2)C[C@H]1CC(=O)[O-] ZINC001599852723 1017643349 /nfs/dbraw/zinc/64/33/49/1017643349.db2.gz VYKLARGAGXZYAX-NXEZZACHSA-N -1 0 311.338 -0.474 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCC2(C3CC3)CC2)C[C@@H](C(=O)[O-])O1 ZINC001599851382 1017644030 /nfs/dbraw/zinc/64/40/30/1017644030.db2.gz UBLMXDXWTCUHPN-KOLCDFICSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@H]1CN(C(=O)N2CCS(=O)(=O)CC2)C[C@@H](C(=O)[O-])O1 ZINC001599855362 1017644042 /nfs/dbraw/zinc/64/40/42/1017644042.db2.gz DHCIEGVJCBFCQA-BDAKNGLRSA-N -1 0 306.340 -0.989 20 0 DBADRM C[C@@H]1CN(C(=O)CNC(=O)c2cccnc2)C[C@@H](C(=O)[O-])O1 ZINC001599853223 1017644077 /nfs/dbraw/zinc/64/40/77/1017644077.db2.gz BGPQABGXJPVHKJ-KOLCDFICSA-N -1 0 307.306 -0.488 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cc(N(C)C)ncn2)C[C@H]1C(=O)[O-] ZINC001599852372 1017644114 /nfs/dbraw/zinc/64/41/14/1017644114.db2.gz VHOCVQBGRMRDMX-RKDXNWHRSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1CN(C(=O)C2(CS(C)(=O)=O)COC2)C[C@H]1C(=O)[O-] ZINC001599853237 1017644201 /nfs/dbraw/zinc/64/42/01/1017644201.db2.gz ZLSLKCBGAYHSED-RKDXNWHRSA-N -1 0 305.352 -0.773 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2ccn(C)n2)C[C@H]1CC(=O)[O-] ZINC001599850419 1017644217 /nfs/dbraw/zinc/64/42/17/1017644217.db2.gz OUPPANLIEHUUAV-NXEZZACHSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCN(C3CC3)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599853250 1017644329 /nfs/dbraw/zinc/64/43/29/1017644329.db2.gz BRYUWVIDPIUHIK-KOLCDFICSA-N -1 0 311.338 -0.413 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@@H](C(=O)[O-])O1 ZINC001599853569 1017644338 /nfs/dbraw/zinc/64/43/38/1017644338.db2.gz CSAXXFCCWRFWPF-BBBLOLIVSA-N -1 0 309.326 -0.674 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CCF)c2)C[C@H]1C(=O)[O-] ZINC001599851898 1017644368 /nfs/dbraw/zinc/64/43/68/1017644368.db2.gz WMUVAMGNNDNVKB-PSASIEDQSA-N -1 0 312.301 -0.030 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)C[C@H]1CC(=O)[O-] ZINC001599857882 1017645249 /nfs/dbraw/zinc/64/52/49/1017645249.db2.gz RZOWJCHUTHECIY-OPRDCNLKSA-N -1 0 311.338 -0.114 20 0 DBADRM C[C@@H]1CN(c2nnc(CC3CC(O)C3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599870489 1017647296 /nfs/dbraw/zinc/64/72/96/1017647296.db2.gz TYGUIPPYXIYHPR-SFXRXQKFSA-N -1 0 310.354 -0.193 20 0 DBADRM C[C@@H]1CN(Cc2cn(-c3ccn(C)n3)nn2)C[C@@H](C(=O)[O-])O1 ZINC001599867510 1017647438 /nfs/dbraw/zinc/64/74/38/1017647438.db2.gz WHTUOEDQIYCJNA-KOLCDFICSA-N -1 0 306.326 -0.325 20 0 DBADRM C[C@@H]1CN(c2nnnn2C[C@@H]2CCCCO2)C[C@@H](C(=O)[O-])O1 ZINC001599872195 1017647612 /nfs/dbraw/zinc/64/76/12/1017647612.db2.gz RZVANPURDDTUSD-VWYCJHECSA-N -1 0 311.342 -0.080 20 0 DBADRM C[C@@H]1CN(c2ncncc2C(=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001599869624 1017647812 /nfs/dbraw/zinc/64/78/12/1017647812.db2.gz JUSFUEZEWDRIEQ-SFYZADRCSA-N -1 0 300.340 -0.464 20 0 DBADRM C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599869571 1017648226 /nfs/dbraw/zinc/64/82/26/1017648226.db2.gz GIUYPMSRVWGCJL-VGMNWLOBSA-N -1 0 309.326 -0.556 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2c[nH]nc2Cl)C[C@@H](C(=O)[O-])O1 ZINC001599867946 1017648645 /nfs/dbraw/zinc/64/86/45/1017648645.db2.gz HCAISUVYAQJHJO-RITPCOANSA-N -1 0 309.731 -0.074 20 0 DBADRM C[C@@H]1C[C@H](C(=O)Nc2n[nH]cc2C(=O)N(C)C)O[C@H]1C(=O)[O-] ZINC001599875725 1017649648 /nfs/dbraw/zinc/64/96/48/1017649648.db2.gz CCQWWCVKYYVDTG-FTLITQJKSA-N -1 0 310.310 -0.072 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)O[C@H]1C(=O)[O-] ZINC001599874801 1017649962 /nfs/dbraw/zinc/64/99/62/1017649962.db2.gz LSOXYWSOLXIZSJ-LYIQGSDWSA-N -1 0 322.365 -0.007 20 0 DBADRM C[C@@H]1C[C@H](C(=O)Nc2ccc(=O)n(CC(N)=O)c2)O[C@H]1C(=O)[O-] ZINC001599876034 1017650250 /nfs/dbraw/zinc/65/02/50/1017650250.db2.gz VDTAJLIFBBPWKK-JWKOBGCHSA-N -1 0 323.305 -0.850 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)CC1OCCCO1 ZINC001599891079 1017651534 /nfs/dbraw/zinc/65/15/34/1017651534.db2.gz IOSWFGUCOZGXOA-SECBINFHSA-N -1 0 324.337 -0.334 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001599885848 1017651554 /nfs/dbraw/zinc/65/15/54/1017651554.db2.gz ZDTRCTFBEAUNFO-SSDOTTSWSA-N -1 0 316.339 -0.938 20 0 DBADRM C[C@@H]1[C@H](O)CCCN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001599883601 1017651863 /nfs/dbraw/zinc/65/18/63/1017651863.db2.gz WOHOVJZWNQFZKR-HTXLXMOSSA-N -1 0 324.377 -0.026 20 0 DBADRM C[C@@]12CN(C(=O)C(=O)N3CC(O)(C(=O)[O-])C3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC001599884260 1017652454 /nfs/dbraw/zinc/65/24/54/1017652454.db2.gz PDPSFVKSDZGKMK-RSQPEXBXSA-N -1 0 320.345 -0.685 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001599887742 1017653318 /nfs/dbraw/zinc/65/33/18/1017653318.db2.gz VNQCVSJPOXZFAP-HFKOZYHYSA-N -1 0 307.306 -0.063 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@]1(C)CCOC1 ZINC001599891822 1017654354 /nfs/dbraw/zinc/65/43/54/1017654354.db2.gz SZZNZGZDXTUTQO-YMTOWFKASA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)C1(O)Cc2ccccc2C1)C(=O)[O-] ZINC001599895565 1017654570 /nfs/dbraw/zinc/65/45/70/1017654570.db2.gz XRDSQFNFHNOGCW-UWVGGRQHSA-N -1 0 320.345 -0.390 20 0 DBADRM C[C@H](NC(=O)Cn1cnnn1)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC001599893457 1017654597 /nfs/dbraw/zinc/65/45/97/1017654597.db2.gz DXVPDQBLHLSMPD-VIFPVBQESA-N -1 0 324.341 -0.966 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@]1(C)CCOC1 ZINC001599891820 1017655511 /nfs/dbraw/zinc/65/55/11/1017655511.db2.gz SZZNZGZDXTUTQO-OTYXRUKQSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC(CC(=O)[O-])CC1)C(=O)N(C)C ZINC001599891445 1017655459 /nfs/dbraw/zinc/65/54/59/1017655459.db2.gz OQVZDZGACCGFIH-VIFPVBQESA-N -1 0 313.354 -0.707 20 0 DBADRM C[C@H](Cc1cn(C)nn1)NS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001599892660 1017655496 /nfs/dbraw/zinc/65/54/96/1017655496.db2.gz WOWJJYDYJYIJME-SECBINFHSA-N -1 0 316.383 -0.080 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1cc[n+]([O-])cc1 ZINC001599891758 1017655575 /nfs/dbraw/zinc/65/55/75/1017655575.db2.gz SUTWAWZDDAWHGB-SECBINFHSA-N -1 0 317.305 -0.540 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1C[C@@H]2CSC[C@@H]2C1)C(=O)[O-] ZINC001599897110 1017656838 /nfs/dbraw/zinc/65/68/38/1017656838.db2.gz VIAGSKHVDJXAAE-AATLWQCWSA-N -1 0 315.395 -0.031 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC1COC(C)(C)OC1)C(=O)[O-] ZINC001599897355 1017657051 /nfs/dbraw/zinc/65/70/51/1017657051.db2.gz ZGTKQUPVXRSAOV-YUMQZZPRSA-N -1 0 317.342 -0.585 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)C[C@@H]1CCCCO1)C(=O)[O-] ZINC001599900565 1017658397 /nfs/dbraw/zinc/65/83/97/1017658397.db2.gz YHHGNVXHHKBDBD-GUBZILKMSA-N -1 0 322.383 -0.547 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)NCCC(=O)[O-] ZINC001599902552 1017659657 /nfs/dbraw/zinc/65/96/57/1017659657.db2.gz FYAWSZTVHUKNEG-QMMMGPOBSA-N -1 0 312.278 -0.468 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cccc(NC(N)=O)c1)C(=O)[O-] ZINC001599900065 1017659683 /nfs/dbraw/zinc/65/96/83/1017659683.db2.gz YBRUHUNZFUXCBN-YUMQZZPRSA-N -1 0 322.321 -0.115 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1O)C(=O)[O-] ZINC001599900127 1017659720 /nfs/dbraw/zinc/65/97/20/1017659720.db2.gz ZVYJCQUPPGTERD-XKNYDFJKSA-N -1 0 301.343 -0.433 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2C[C@@H](O)C2)C[C@]1(C)C(=O)[O-] ZINC001599909585 1017660710 /nfs/dbraw/zinc/66/07/10/1017660710.db2.gz UIUALYOGQIXLPT-ZVXAKGHKSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@](O)(C3CC3)C2)CC[C@H]1C(=O)[O-] ZINC001599909969 1017660993 /nfs/dbraw/zinc/66/09/93/1017660993.db2.gz DZRTVRBRTPQROP-KANYHAFZSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CCCCCO)C[C@@H](C(=O)[O-])O1 ZINC001599909118 1017661414 /nfs/dbraw/zinc/66/14/14/1017661414.db2.gz KMASZKGVFAMLRD-QWRGUYRKSA-N -1 0 316.354 -0.692 20 0 DBADRM C[C@H]1CN(C(=O)CNC(=O)c2cccc(O)c2)C[C@@H](C(=O)[O-])O1 ZINC001599916438 1017662435 /nfs/dbraw/zinc/66/24/35/1017662435.db2.gz GRVVMBQXNNZMJN-CABZTGNLSA-N -1 0 322.317 -0.178 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cn2)C[C@@H](C(=O)[O-])O1 ZINC001599913043 1017662787 /nfs/dbraw/zinc/66/27/87/1017662787.db2.gz AZWTYBOPIFPLPB-CBAPKCEASA-N -1 0 311.269 -0.140 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@@H]2CSC2(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599914023 1017662854 /nfs/dbraw/zinc/66/28/54/1017662854.db2.gz VXSCSPZFGQYDSL-XHNCKOQMSA-N -1 0 316.379 -0.303 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C[C@@H](C(=O)[O-])O1 ZINC001599911497 1017662882 /nfs/dbraw/zinc/66/28/82/1017662882.db2.gz BFSYVILCGXSIKX-YIZRAAEISA-N -1 0 310.310 -0.753 20 0 DBADRM C[C@H]1CN(C(=O)CNc2ccccc2C(N)=O)C[C@@H](C(=O)[O-])O1 ZINC001599916664 1017663149 /nfs/dbraw/zinc/66/31/49/1017663149.db2.gz ROKIFBFUSHUKCQ-CABZTGNLSA-N -1 0 321.333 -0.102 20 0 DBADRM C[C@H]1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599912871 1017663171 /nfs/dbraw/zinc/66/31/71/1017663171.db2.gz OIWPIXFWMLPAEH-CIUDSAMLSA-N -1 0 301.343 -0.230 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CCN=C3C2=NNN3C)CC[C@H]1C(=O)[O-] ZINC001599913981 1017663299 /nfs/dbraw/zinc/66/32/99/1017663299.db2.gz VUNFTUXGWOMMEV-IVZWLZJFSA-N -1 0 307.354 -0.220 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC001599912478 1017663764 /nfs/dbraw/zinc/66/37/64/1017663764.db2.gz KYPKCSIBHPESIE-GUBZILKMSA-N -1 0 320.367 -0.889 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599914013 1017663953 /nfs/dbraw/zinc/66/39/53/1017663953.db2.gz VMFUKVATSPUFJI-DCAQKATOSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@H]1CN(C(=O)NCCCc2cnn(C)n2)C[C@@H](C(=O)[O-])O1 ZINC001599919971 1017664858 /nfs/dbraw/zinc/66/48/58/1017664858.db2.gz PEJGVWVOUGIESW-ONGXEEELSA-N -1 0 311.342 -0.369 20 0 DBADRM C[C@H]1CN(C(=O)CCSc2nnnn2C)C[C@@H](C(=O)[O-])O1 ZINC001599917035 1017665713 /nfs/dbraw/zinc/66/57/13/1017665713.db2.gz UNEUNRIYAFUKQR-YUMQZZPRSA-N -1 0 315.355 -0.607 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@@H]2COCCN2C)C[C@@H](C(=O)[O-])O1 ZINC001599920780 1017665889 /nfs/dbraw/zinc/66/58/89/1017665889.db2.gz QOAOFKZZWKHROY-AXFHLTTASA-N -1 0 301.343 -0.800 20 0 DBADRM C[C@H]1CN(C(=O)NCCN2CCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001599919863 1017666024 /nfs/dbraw/zinc/66/60/24/1017666024.db2.gz KBRQXUBNPJPUIW-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@H]1CN(c2nnc(CN3CCCC3=O)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599935103 1017668234 /nfs/dbraw/zinc/66/82/34/1017668234.db2.gz KEYDGHDLBNPNKK-UWVGGRQHSA-N -1 0 323.353 -0.384 20 0 DBADRM C[C@H]1CN(CC(=O)NCC(=O)OC(C)(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599927856 1017668375 /nfs/dbraw/zinc/66/83/75/1017668375.db2.gz LUNAXLALAZTWQF-UWVGGRQHSA-N -1 0 316.354 -0.382 20 0 DBADRM C[C@H]1COCCN1C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001599932597 1017669003 /nfs/dbraw/zinc/66/90/03/1017669003.db2.gz GRBPVCQCDOXLGA-VIFPVBQESA-N -1 0 324.337 -0.111 20 0 DBADRM C[C@H]1CN(c2nnnn2C[C@]2(C)CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599933124 1017669371 /nfs/dbraw/zinc/66/93/71/1017669371.db2.gz KSZSMSIQUPVKRM-KWBADKCTSA-N -1 0 311.342 -0.222 20 0 DBADRM C[C@H]1C[C@@H](O)CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001599934001 1017669421 /nfs/dbraw/zinc/66/94/21/1017669421.db2.gz SBEHNABRCSZDQS-DTWKUNHWSA-N -1 0 307.306 -0.052 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C)CCS(N)(=O)=O ZINC001599957355 1017670812 /nfs/dbraw/zinc/67/08/12/1017670812.db2.gz KRTKLXCKZALOEB-UHFFFAOYSA-N -1 0 303.340 -0.576 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001599958606 1017671470 /nfs/dbraw/zinc/67/14/70/1017671470.db2.gz GIYLEZIQQUQVLF-DTORHVGOSA-N -1 0 305.290 -0.592 20 0 DBADRM Cc1nc[nH]c1C(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001599967481 1017671528 /nfs/dbraw/zinc/67/15/28/1017671528.db2.gz GLFQFCNSWYKDHQ-VIFPVBQESA-N -1 0 316.321 -0.045 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599940354 1017671581 /nfs/dbraw/zinc/67/15/81/1017671581.db2.gz HMFWHOAAHGYWHS-ZETCQYMHSA-N -1 0 306.282 -0.199 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC001599955972 1017671621 /nfs/dbraw/zinc/67/16/21/1017671621.db2.gz ZRFFONDPNOVOGK-SSDOTTSWSA-N -1 0 308.294 -0.310 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001599941857 1017672197 /nfs/dbraw/zinc/67/21/97/1017672197.db2.gz WWGXOOANJJEDTM-NKWVEPMBSA-N -1 0 313.335 -0.313 20 0 DBADRM Cc1c(C(=O)N[C@@H](C(=O)[O-])C2CC2)nnn1-c1ccn(C)n1 ZINC001599978414 1017673819 /nfs/dbraw/zinc/67/38/19/1017673819.db2.gz GYYAMQFFQWNIDE-LLVKDONJSA-N -1 0 304.310 -0.098 20 0 DBADRM Cc1nc[nH]c1CC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599968261 1017674182 /nfs/dbraw/zinc/67/41/82/1017674182.db2.gz ODDQQIRPTCRKER-MNOVXSKESA-N -1 0 320.349 -0.349 20 0 DBADRM Cc1c(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cnn1C ZINC001599975953 1017674281 /nfs/dbraw/zinc/67/42/81/1017674281.db2.gz ZTNPZXCZXSZZRU-WDEREUQCSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC/C=C\CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001599967847 1017675260 /nfs/dbraw/zinc/67/52/60/1017675260.db2.gz CSQAHYVJLZSVKY-UZAOFVRNSA-N -1 0 320.349 -0.230 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)C(=O)N[C@H]2CCOC2)n1C ZINC001599986930 1017676189 /nfs/dbraw/zinc/67/61/89/1017676189.db2.gz FAPXEPYCGSWHRB-VIFPVBQESA-N -1 0 309.322 -0.447 20 0 DBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001599998167 1017676301 /nfs/dbraw/zinc/67/63/01/1017676301.db2.gz PFUISXXCJXLTCL-MNOVXSKESA-N -1 0 315.347 -0.191 20 0 DBADRM Cc1c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cnn1C ZINC001599983187 1017676527 /nfs/dbraw/zinc/67/65/27/1017676527.db2.gz DJWHWQTVKBILRQ-ZRUFSTJUSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1c(C(=O)NCCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])nnn1C ZINC001599980910 1017676571 /nfs/dbraw/zinc/67/65/71/1017676571.db2.gz ZIWFVPBFOUNMKA-NXEZZACHSA-N -1 0 323.353 -0.577 20 0 DBADRM Cc1c(C(=O)NCC(=O)NCC(=O)[O-])cnn1-c1ccncc1 ZINC001599980796 1017676946 /nfs/dbraw/zinc/67/69/46/1017676946.db2.gz RMHWAVJKHDAPLP-UHFFFAOYSA-N -1 0 317.305 -0.494 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)CN2CCNCC2=O)n1C ZINC001599991643 1017677043 /nfs/dbraw/zinc/67/70/43/1017677043.db2.gz VJVKGRVSZYIAAJ-UHFFFAOYSA-N -1 0 308.338 -0.920 20 0 DBADRM Cc1c(C(=O)[O-])cc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)n1C ZINC001599984762 1017677086 /nfs/dbraw/zinc/67/70/86/1017677086.db2.gz BNWYVNQJLYQDJF-NSHDSACASA-N -1 0 320.349 -0.826 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC(F)(F)C2)cnn1CC(=O)[O-] ZINC001600024585 1017677880 /nfs/dbraw/zinc/67/78/80/1017677880.db2.gz LMDDROVESILFRP-UHFFFAOYSA-N -1 0 302.237 -0.308 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)cnn1CC(=O)[O-] ZINC001600024374 1017677915 /nfs/dbraw/zinc/67/79/15/1017677915.db2.gz IJAUCSWSORMDBK-OTYXRUKQSA-N -1 0 322.321 -0.945 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cccc1C(N)=O ZINC001600025443 1017678409 /nfs/dbraw/zinc/67/84/09/1017678409.db2.gz VNTCICXLZWMPAD-VIFPVBQESA-N -1 0 319.317 -0.034 20 0 DBADRM Cc1c(CNC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cnn1C ZINC001600010678 1017678769 /nfs/dbraw/zinc/67/87/69/1017678769.db2.gz XLLCJVDJFINOEG-JGZJWPJOSA-N -1 0 308.338 -0.334 20 0 DBADRM Cc1c(NC(=O)C(=O)N(C)CC(F)F)cnn1CC(=O)[O-] ZINC001600023940 1017678806 /nfs/dbraw/zinc/67/88/06/1017678806.db2.gz WCDGOMSKLGHKOD-UHFFFAOYSA-N -1 0 304.253 -0.062 20 0 DBADRM Cc1c(C(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)nnn1C ZINC001600006518 1017678996 /nfs/dbraw/zinc/67/89/96/1017678996.db2.gz JYKQQAUEFWXNTA-VIFPVBQESA-N -1 0 310.310 -0.254 20 0 DBADRM Cc1c(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])cnn1C ZINC001600009154 1017679008 /nfs/dbraw/zinc/67/90/08/1017679008.db2.gz HCXAPWDGGRYINY-UHFFFAOYSA-N -1 0 324.381 -0.484 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@@H]2CC[C@@H](O)C2)cnn1CC(=O)[O-] ZINC001600028178 1017679748 /nfs/dbraw/zinc/67/97/48/1017679748.db2.gz ZYOZTSIMCGTFTD-NXEZZACHSA-N -1 0 324.337 -0.508 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H]2CCCOCC2)cnn1CC(=O)[O-] ZINC001600029006 1017679818 /nfs/dbraw/zinc/67/98/18/1017679818.db2.gz WFDYIKKKSOUAHO-SNVBAGLBSA-N -1 0 324.337 -0.100 20 0 DBADRM Cc1c(NC(=O)CCS(=O)(=O)N(C)C)cnn1CC(=O)[O-] ZINC001600032274 1017679946 /nfs/dbraw/zinc/67/99/46/1017679946.db2.gz PAHNZHLVYWNDGI-UHFFFAOYSA-N -1 0 318.355 -0.504 20 0 DBADRM Cc1c[nH]c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600060797 1017681318 /nfs/dbraw/zinc/68/13/18/1017681318.db2.gz PMFVLRWFIXFXSI-XXFSISAASA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1c[nH]c(C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)n1 ZINC001600060767 1017681601 /nfs/dbraw/zinc/68/16/01/1017681601.db2.gz ODBSXAXNTZYDCF-UHFFFAOYSA-N -1 0 304.310 -0.188 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001600067354 1017681672 /nfs/dbraw/zinc/68/16/72/1017681672.db2.gz YROTTZYRGFCPJY-OAHLLOKOSA-N -1 0 321.333 -0.045 20 0 DBADRM Cc1cc(CN2CCN(S(N)(=O)=O)CC2)oc1C(=O)[O-] ZINC001600194644 1017689371 /nfs/dbraw/zinc/68/93/71/1017689371.db2.gz NDWUDMYAGJLABE-UHFFFAOYSA-N -1 0 303.340 -0.393 20 0 DBADRM Cc1cc(=O)c(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)cn1C ZINC001600067151 1017682047 /nfs/dbraw/zinc/68/20/47/1017682047.db2.gz PCCVIHLBDHGPMU-LBPRGKRZSA-N -1 0 304.306 -0.017 20 0 DBADRM Cc1cc(C(=O)N(CCO)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])co1 ZINC001600079185 1017682054 /nfs/dbraw/zinc/68/20/54/1017682054.db2.gz GKXAXLFBDAZTCT-NWDGAFQWSA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600061058 1017682263 /nfs/dbraw/zinc/68/22/63/1017682263.db2.gz WTLGALLERRONFA-ZJUUUORDSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001600066496 1017682287 /nfs/dbraw/zinc/68/22/87/1017682287.db2.gz JZQMHEFUZOOYFJ-VHSXEESVSA-N -1 0 321.333 -0.046 20 0 DBADRM Cc1c[nH]c(C(=O)NC[C@@H](C)Nc2ccnc(C(=O)[O-])n2)n1 ZINC001600060765 1017682398 /nfs/dbraw/zinc/68/23/98/1017682398.db2.gz OCEMZQYIRFMGJG-SSDOTTSWSA-N -1 0 304.310 -0.141 20 0 DBADRM Cc1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)no1 ZINC001600077290 1017682514 /nfs/dbraw/zinc/68/25/14/1017682514.db2.gz KAXMOOKOKAJVIJ-ZJUUUORDSA-N -1 0 307.306 -0.013 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cc[n+]([O-])cc1 ZINC001498221781 1017682614 /nfs/dbraw/zinc/68/26/14/1017682614.db2.gz MNPHTDJFZRGZGF-VIFPVBQESA-N -1 0 306.326 -0.606 20 0 DBADRM Cc1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001600093549 1017683381 /nfs/dbraw/zinc/68/33/81/1017683381.db2.gz GMBAUWAGFYRLEQ-VHSXEESVSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1cc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)on1 ZINC001600083021 1017683394 /nfs/dbraw/zinc/68/33/94/1017683394.db2.gz MSESTGHKRDBMIM-AWEZNQCLSA-N -1 0 309.322 -0.015 20 0 DBADRM Cc1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1C ZINC001600081529 1017683438 /nfs/dbraw/zinc/68/34/38/1017683438.db2.gz XJNOAWLZZZFPET-GHMZBOCLSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001600093550 1017683497 /nfs/dbraw/zinc/68/34/97/1017683497.db2.gz GMBAUWAGFYRLEQ-ZJUUUORDSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](O)CC(=O)[O-])ccc1-n1cnnn1 ZINC001600091753 1017683511 /nfs/dbraw/zinc/68/35/11/1017683511.db2.gz GNDZKQBETMPVPZ-JTQLQIEISA-N -1 0 305.294 -0.464 20 0 DBADRM Cc1cc(C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)no1 ZINC001600080712 1017683601 /nfs/dbraw/zinc/68/36/01/1017683601.db2.gz JNLGWRXFOHCSHH-VHSXEESVSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)ncn1 ZINC001600081462 1017683788 /nfs/dbraw/zinc/68/37/88/1017683788.db2.gz WKDTZEAFLUWUHO-UWVGGRQHSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1cc(C(=O)N2CCN(S(N)(=O)=O)CC2)oc1C(=O)[O-] ZINC001600084437 1017684024 /nfs/dbraw/zinc/68/40/24/1017684024.db2.gz JISBIWJDVTZEDJ-UHFFFAOYSA-N -1 0 317.323 -0.752 20 0 DBADRM Cc1cc(C(=O)N2CC[C@@H](Nc3ccnc(C(=O)[O-])n3)C2)[nH]n1 ZINC001600081624 1017684076 /nfs/dbraw/zinc/68/40/76/1017684076.db2.gz NIQAXMSKKHYZJV-SECBINFHSA-N -1 0 316.321 -0.045 20 0 DBADRM Cc1cc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)ncc1C(N)=O ZINC001600081422 1017684197 /nfs/dbraw/zinc/68/41/97/1017684197.db2.gz VGJJRYOAGXSDDJ-IUCAKERBSA-N -1 0 307.306 -0.603 20 0 DBADRM Cc1cc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1C ZINC001600081531 1017684326 /nfs/dbraw/zinc/68/43/26/1017684326.db2.gz XJNOAWLZZZFPET-QWRGUYRKSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cc(C(=O)NC[C@H](CO)Nc2ccnc(C(=O)[O-])n2)co1 ZINC001600091811 1017684519 /nfs/dbraw/zinc/68/45/19/1017684519.db2.gz JFSXRDWAOCJSSP-SNVBAGLBSA-N -1 0 320.305 -0.299 20 0 DBADRM Cc1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)ncn1 ZINC001600081519 1017684529 /nfs/dbraw/zinc/68/45/29/1017684529.db2.gz XESXPQWYBHERFD-MNOVXSKESA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1cc(C(=O)[O-])nc(NCC2CN(S(C)(=O)=O)C2)n1 ZINC001600128715 1017685175 /nfs/dbraw/zinc/68/51/75/1017685175.db2.gz NTKFALPCUIDCCI-UHFFFAOYSA-N -1 0 300.340 -0.213 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2CCC[C@@H](CS(N)(=O)=O)C2)n1 ZINC001600126898 1017685346 /nfs/dbraw/zinc/68/53/46/1017685346.db2.gz INBNLLXDNXMYFB-SECBINFHSA-N -1 0 314.367 -0.012 20 0 DBADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)NC(CO)(CO)CO ZINC001600157262 1017685560 /nfs/dbraw/zinc/68/55/60/1017685560.db2.gz NPIAIGBQYPKNPI-UHFFFAOYSA-N -1 0 312.322 -0.161 20 0 DBADRM Cc1cc(C)nc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1 ZINC001600183163 1017687736 /nfs/dbraw/zinc/68/77/36/1017687736.db2.gz URMVJBYIWPPCEH-GHMZBOCLSA-N -1 0 321.333 -0.069 20 0 DBADRM Cc1cc(CC(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001600187280 1017687766 /nfs/dbraw/zinc/68/77/66/1017687766.db2.gz CHIIFPAVXGEZNH-RYUDHWBXSA-N -1 0 320.349 -0.349 20 0 DBADRM Cc1cc(CC(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001600187279 1017688067 /nfs/dbraw/zinc/68/80/67/1017688067.db2.gz CHIIFPAVXGEZNH-NWDGAFQWSA-N -1 0 320.349 -0.349 20 0 DBADRM Cc1cc(CCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)nn1C ZINC001600188940 1017689208 /nfs/dbraw/zinc/68/92/08/1017689208.db2.gz YRZMLCRCMRJOMT-SNVBAGLBSA-N -1 0 308.338 -0.680 20 0 DBADRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1COC[C@H]1O ZINC001600225028 1017689218 /nfs/dbraw/zinc/68/92/18/1017689218.db2.gz JTGSYVDUGSXLEV-NXEZZACHSA-N -1 0 319.310 -0.130 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)ncn1 ZINC001600197260 1017689443 /nfs/dbraw/zinc/68/94/43/1017689443.db2.gz CDOQMIOQJPWSJQ-LDYMZIIASA-N -1 0 306.322 -0.420 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)[nH]n1 ZINC001600197522 1017690207 /nfs/dbraw/zinc/69/02/07/1017690207.db2.gz SYCXYROCZKVDIT-WPRPVWTQSA-N -1 0 310.310 -0.965 20 0 DBADRM Cc1cc(CNCCN(CCO)C(=O)[C@H]2C[C@@H]2C(=O)[O-])nn1C ZINC001600205461 1017690501 /nfs/dbraw/zinc/69/05/01/1017690501.db2.gz KHRVOLWRGBUQEL-STQMWFEESA-N -1 0 324.381 -0.640 20 0 DBADRM Cc1cc(Cn2nnnc2N2C[C@@H](C)[C@H](C(=O)[O-])C2)ncn1 ZINC001600222844 1017690572 /nfs/dbraw/zinc/69/05/72/1017690572.db2.gz YICLQZMLECAVBM-LDYMZIIASA-N -1 0 303.326 -0.023 20 0 DBADRM Cc1cc(N2CCN(C)C(=O)[C@@H]2C)n2nc(C(=O)[O-])nc2n1 ZINC001600240480 1017691282 /nfs/dbraw/zinc/69/12/82/1017691282.db2.gz MNTVVJZHLWKHDW-QMMMGPOBSA-N -1 0 304.310 -0.202 20 0 DBADRM Cc1cc(N2CC[C@@H](Nc3ccnc(C(=O)[O-])n3)C2=O)n(C)n1 ZINC001600239527 1017691522 /nfs/dbraw/zinc/69/15/22/1017691522.db2.gz XPXKNCZWRWLICX-SECBINFHSA-N -1 0 316.321 -0.144 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)C[C@H](O)CO)c(C(=O)[O-])s1 ZINC001600241409 1017691555 /nfs/dbraw/zinc/69/15/55/1017691555.db2.gz CWGPHYVZOCUFPO-ZETCQYMHSA-N -1 0 316.335 -0.495 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCCNC(=O)C2)c(C(=O)[O-])[nH]1 ZINC001600242645 1017691630 /nfs/dbraw/zinc/69/16/30/1017691630.db2.gz AXZWATTWUJMYNK-UHFFFAOYSA-N -1 0 308.294 -0.692 20 0 DBADRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N1CC(C(N)=O)C1 ZINC001600237734 1017691815 /nfs/dbraw/zinc/69/18/15/1017691815.db2.gz GTKYITOSKDKFAM-UHFFFAOYSA-N -1 0 316.310 -0.062 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC(C)(CO)CO)c(C(=O)[O-])s1 ZINC001600245453 1017691957 /nfs/dbraw/zinc/69/19/57/1017691957.db2.gz RUDLOHKNKAWMJE-UHFFFAOYSA-N -1 0 316.335 -0.447 20 0 DBADRM Cc1cc(N2CC[C@H](N3CC[C@](O)(C(=O)[O-])C3)C2=O)n(C)n1 ZINC001600237662 1017691986 /nfs/dbraw/zinc/69/19/86/1017691986.db2.gz DJPLCJCQTFTPCE-IINYFYTJSA-N -1 0 308.338 -0.645 20 0 DBADRM Cc1cc(NC(=O)NCCNS(C)(=O)=O)ncc1C(=O)[O-] ZINC001600270113 1017693755 /nfs/dbraw/zinc/69/37/55/1017693755.db2.gz REXFNJCTHINOET-UHFFFAOYSA-N -1 0 316.339 -0.241 20 0 DBADRM Cc1cc(=O)[nH]c(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001600286930 1017694305 /nfs/dbraw/zinc/69/43/05/1017694305.db2.gz RKNRKSHRFDDRDE-OAHLLOKOSA-N -1 0 322.365 -0.148 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCn2cc(C(=O)[O-])nn2)sn1 ZINC001600264011 1017694418 /nfs/dbraw/zinc/69/44/18/1017694418.db2.gz RTDNMPOLUZMDAW-UHFFFAOYSA-N -1 0 324.322 -0.504 20 0 DBADRM Cc1cc(NCCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nc(CO)n1 ZINC001600281001 1017694661 /nfs/dbraw/zinc/69/46/61/1017694661.db2.gz OJYUHDUKXFOVKJ-NXEZZACHSA-N -1 0 308.338 -0.084 20 0 DBADRM Cc1cc(S(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)oc1C(=O)[O-] ZINC001600296051 1017695426 /nfs/dbraw/zinc/69/54/26/1017695426.db2.gz HSCCUHPNPWMDAR-IUCAKERBSA-N -1 0 319.335 -0.492 20 0 DBADRM Cc1cc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cnc1N ZINC001600296238 1017695742 /nfs/dbraw/zinc/69/57/42/1017695742.db2.gz SXMOOWKWBBBYEO-APPZFPTMSA-N -1 0 301.324 -0.819 20 0 DBADRM Cc1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cnc1N ZINC001600294959 1017696006 /nfs/dbraw/zinc/69/60/06/1017696006.db2.gz BTMLUYMOJWAVMX-BDAKNGLRSA-N -1 0 315.351 -0.572 20 0 DBADRM Cc1cc(S(=O)(=O)NCCNC(=O)N(C)C)oc1C(=O)[O-] ZINC001600299795 1017696103 /nfs/dbraw/zinc/69/61/03/1017696103.db2.gz JKLZNSBXKSQJPO-UHFFFAOYSA-N -1 0 319.339 -0.164 20 0 DBADRM Cc1cc(S(N)(=O)=O)ccc1CNC(=O)COCC(=O)[O-] ZINC001600302751 1017696183 /nfs/dbraw/zinc/69/61/83/1017696183.db2.gz YDKZPMLMFMTYTO-UHFFFAOYSA-N -1 0 316.335 -0.640 20 0 DBADRM Cc1cc(S(N)(=O)=O)cc(C(=O)NC[C@H](O)C(=O)[O-])c1C ZINC001600302976 1017696420 /nfs/dbraw/zinc/69/64/20/1017696420.db2.gz MDTSQXAYYNOHFQ-JTQLQIEISA-N -1 0 316.335 -0.874 20 0 DBADRM Cc1cc(S(=O)(=O)N2C[C@@H](O)C[C@]2(C)CO)oc1C(=O)[O-] ZINC001600295493 1017696603 /nfs/dbraw/zinc/69/66/03/1017696603.db2.gz JMRYIXLBSIHURB-QPUJVOFHSA-N -1 0 319.335 -0.207 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCN(C)CCO ZINC001600363579 1017697328 /nfs/dbraw/zinc/69/73/28/1017697328.db2.gz UCYHHEVPZFXQMR-UHFFFAOYSA-N -1 0 316.379 -0.104 20 0 DBADRM Cc1ccc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c(=O)n1C ZINC001600415544 1017697504 /nfs/dbraw/zinc/69/75/04/1017697504.db2.gz SQLABFJCWVSRJX-NEPJUHHUSA-N -1 0 323.349 -0.329 20 0 DBADRM Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])o1 ZINC001600331146 1017697738 /nfs/dbraw/zinc/69/77/38/1017697738.db2.gz HPWLQAXEOSIPKG-QWRGUYRKSA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1ccc(C(=O)NC[C@@H](C)Nc2ccnc(C(=O)[O-])n2)nn1 ZINC001600338810 1017698426 /nfs/dbraw/zinc/69/84/26/1017698426.db2.gz GPDRCGNCYFXEGJ-SECBINFHSA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001600331519 1017698536 /nfs/dbraw/zinc/69/85/36/1017698536.db2.gz GLZHJAKCCHBNBY-WDEREUQCSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1ccc(C(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])c(=O)[nH]1 ZINC001600340072 1017698547 /nfs/dbraw/zinc/69/85/47/1017698547.db2.gz BFYDCZYLQHOCFY-VHSXEESVSA-N -1 0 307.306 -0.338 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)cc1C(=O)[O-] ZINC001600443137 1017700035 /nfs/dbraw/zinc/70/00/35/1017700035.db2.gz VFUOVUJEYCQFAZ-HNNXBMFYSA-N -1 0 322.317 -0.101 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NCCn2ncnn2)c(C(=O)[O-])c1 ZINC001600442008 1017700075 /nfs/dbraw/zinc/70/00/75/1017700075.db2.gz HBHDQDJCSHBERC-UHFFFAOYSA-N -1 0 318.293 -0.565 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])o1 ZINC001600482864 1017700078 /nfs/dbraw/zinc/70/00/78/1017700078.db2.gz WSHSCGISRZIKLE-YUMQZZPRSA-N -1 0 304.324 -0.156 20 0 DBADRM Cc1ccc(N(C)S(=O)(=O)c2cnn(CC(=O)[O-])c2)nn1 ZINC001600432797 1017700120 /nfs/dbraw/zinc/70/01/20/1017700120.db2.gz NMGGZSVIDFWFOC-UHFFFAOYSA-N -1 0 311.323 -0.109 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CC(=O)N[C@H](C)C2)cc1C(=O)[O-] ZINC001600438671 1017700144 /nfs/dbraw/zinc/70/01/44/1017700144.db2.gz KJGSTVYCBHYJNS-SECBINFHSA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)O[C@H](C)C(=O)C(=O)[O-] ZINC001600509542 1017700337 /nfs/dbraw/zinc/70/03/37/1017700337.db2.gz BLMCPRMTQQOXML-OTYXRUKQSA-N -1 0 311.290 -0.507 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001600594984 1017701140 /nfs/dbraw/zinc/70/11/40/1017701140.db2.gz XZWWPQODHXZKEH-MYJAWHEDSA-N -1 0 319.317 -0.579 20 0 DBADRM Cc1cccc2c1N(C(=O)C(=O)NC[C@@H](O)CC(=O)[O-])CC2 ZINC001600558873 1017701173 /nfs/dbraw/zinc/70/11/73/1017701173.db2.gz RNBDLJOYHWPBSB-NSHDSACASA-N -1 0 306.318 -0.164 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@@H](CCF)C(=O)[O-] ZINC001600509625 1017701509 /nfs/dbraw/zinc/70/15/09/1017701509.db2.gz FFKHRFRCUFEOAJ-HZMBPMFUSA-N -1 0 314.313 -0.163 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)O[C@H](C)C(=O)C(=O)[O-] ZINC001600509544 1017702412 /nfs/dbraw/zinc/70/24/12/1017702412.db2.gz BLMCPRMTQQOXML-YMTOWFKASA-N -1 0 311.290 -0.507 20 0 DBADRM Cc1ccn(C[C@@H](C)C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])n1 ZINC001600597475 1017702700 /nfs/dbraw/zinc/70/27/00/1017702700.db2.gz DSSBVBZQNMJQIS-MWLCHTKSSA-N -1 0 308.338 -0.419 20 0 DBADRM Cc1ccnc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600597936 1017702866 /nfs/dbraw/zinc/70/28/66/1017702866.db2.gz CULSWFVXEBWMNG-MNOVXSKESA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1ccncc1NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001600606600 1017703063 /nfs/dbraw/zinc/70/30/63/1017703063.db2.gz KHBXRKQJQFOGQD-VHSXEESVSA-N -1 0 307.306 -0.377 20 0 DBADRM Cc1cn(C)nc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600611771 1017703534 /nfs/dbraw/zinc/70/35/34/1017703534.db2.gz RKAWHXNQPOVTFS-MNOVXSKESA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)N[C@@](C)(CO)C(=O)[O-])c2=O ZINC001600596517 1017703907 /nfs/dbraw/zinc/70/39/07/1017703907.db2.gz HNYVASYJIQHAFH-AWEZNQCLSA-N -1 0 305.290 -0.432 20 0 DBADRM Cc1ccnc(C(=O)NC[C@@H](C)Nc2ccnc(C(=O)[O-])n2)n1 ZINC001600598200 1017704051 /nfs/dbraw/zinc/70/40/51/1017704051.db2.gz HHBSJMZSCXIPJK-SECBINFHSA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1ccnc(CNCCN(CCO)C(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001600600858 1017704240 /nfs/dbraw/zinc/70/42/40/1017704240.db2.gz GHSKHRPVIIXVEK-VXGBXAGGSA-N -1 0 322.365 -0.584 20 0 DBADRM Cc1cnc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)cn1 ZINC001600615923 1017704517 /nfs/dbraw/zinc/70/45/17/1017704517.db2.gz CRIGLSPUVSLVNP-UHFFFAOYSA-N -1 0 313.335 -0.453 20 0 DBADRM Cc1cnc(COCC(=O)O[C@H](C)C(=O)NCC(=O)[O-])o1 ZINC001600622045 1017704557 /nfs/dbraw/zinc/70/45/57/1017704557.db2.gz ZSZLPRLPHBJJPS-MRVPVSSYSA-N -1 0 300.267 -0.368 20 0 DBADRM Cc1cn2cc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])ccc2n1 ZINC001600613797 1017704859 /nfs/dbraw/zinc/70/48/59/1017704859.db2.gz WBUORMWUNBWYSL-JTQLQIEISA-N -1 0 320.305 -0.467 20 0 DBADRM Cc1cn2c(ncc(C(=O)N[C@@]3(C(=O)[O-])C[C@@H](O)C3)c2=O)s1 ZINC001600614119 1017705303 /nfs/dbraw/zinc/70/53/03/1017705303.db2.gz SORWNFLULUDTLQ-PPRHIFSWSA-N -1 0 323.330 -0.228 20 0 DBADRM Cc1cnc(C(=O)NCCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cn1 ZINC001600616822 1017705571 /nfs/dbraw/zinc/70/55/71/1017705571.db2.gz LKJRFQYJEGTYIV-ZJUUUORDSA-N -1 0 306.322 -0.258 20 0 DBADRM Cc1cnc(COCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])o1 ZINC001600621551 1017705748 /nfs/dbraw/zinc/70/57/48/1017705748.db2.gz DQBKFTZOQMMGFV-SECBINFHSA-N -1 0 311.294 -0.699 20 0 DBADRM Cc1cnc2nc(C(=O)N[C@H](Cc3c[nH]cn3)C(=O)[O-])nn2c1 ZINC001600627625 1017706619 /nfs/dbraw/zinc/70/66/19/1017706619.db2.gz UQPGPVUXKCHEDJ-SECBINFHSA-N -1 0 315.293 -0.418 20 0 DBADRM Cc1cnn(C)c1C(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001600635563 1017706834 /nfs/dbraw/zinc/70/68/34/1017706834.db2.gz REVCRCAIFRYGJF-SECBINFHSA-N -1 0 318.337 -0.131 20 0 DBADRM Cc1cnn(C)c1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600635983 1017707513 /nfs/dbraw/zinc/70/75/13/1017707513.db2.gz ZHYUUGWVKQFPCY-YHROSDCASA-N -1 0 320.349 -0.149 20 0 DBADRM Cc1cnn(C)c1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600635021 1017707581 /nfs/dbraw/zinc/70/75/81/1017707581.db2.gz AWHBWEGAOQNALD-GHMZBOCLSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cncn1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600631572 1017707860 /nfs/dbraw/zinc/70/78/60/1017707860.db2.gz CXUUTWRKNUKCTR-WRWGMCAJSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600635772 1017707901 /nfs/dbraw/zinc/70/79/01/1017707901.db2.gz WYHDXZSZGUAFLH-GHMZBOCLSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1csc(=O)n1CCOC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001600646112 1017708615 /nfs/dbraw/zinc/70/86/15/1017708615.db2.gz XNFZDGFLDSSAHU-UHFFFAOYSA-N -1 0 312.307 -0.249 20 0 DBADRM Cc1cnoc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600637301 1017709306 /nfs/dbraw/zinc/70/93/06/1017709306.db2.gz IGFSPBKYLLZMCI-APLZJWDSSA-N -1 0 319.317 -0.110 20 0 DBADRM Cc1cnn(CCC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001600636472 1017709699 /nfs/dbraw/zinc/70/96/99/1017709699.db2.gz FEGJOPNSFQYQPF-VXGBXAGGSA-N -1 0 320.349 -0.371 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600667670 1017710920 /nfs/dbraw/zinc/71/09/20/1017710920.db2.gz HMKZRDGUDPIDDW-NWDGAFQWSA-N -1 0 320.349 -0.383 20 0 DBADRM Cc1n[nH]c(C)c1CCC(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001600667949 1017711167 /nfs/dbraw/zinc/71/11/67/1017711167.db2.gz KOVNDUQIZKLPKL-NSHDSACASA-N -1 0 306.326 -0.180 20 0 DBADRM Cc1nnc(CC(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]1 ZINC001600671328 1017711587 /nfs/dbraw/zinc/71/15/87/1017711587.db2.gz JAWJTEVNMNIAON-NXEZZACHSA-N -1 0 321.337 -0.954 20 0 DBADRM Cc1csc2ncc(C(=O)NC[C@H](O)CC(=O)[O-])c(=O)n12 ZINC001600664958 1017711640 /nfs/dbraw/zinc/71/16/40/1017711640.db2.gz BNAQKMZSACYAQL-SSDOTTSWSA-N -1 0 311.319 -0.370 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)CC2(CO)CC2)c1C(=O)[O-] ZINC001600670644 1017712027 /nfs/dbraw/zinc/71/20/27/1017712027.db2.gz ZPKNKFDUENSRPR-UHFFFAOYSA-N -1 0 303.340 -0.191 20 0 DBADRM Cc1nc(SCC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])n[nH]1 ZINC001600675244 1017712989 /nfs/dbraw/zinc/71/29/89/1017712989.db2.gz PWAGPFWITAAOAC-APPZFPTMSA-N -1 0 300.340 -0.358 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)NCCC(=O)NCCC(=O)[O-] ZINC001600671840 1017713080 /nfs/dbraw/zinc/71/30/80/1017713080.db2.gz ZWHNRPQERUFUCC-UHFFFAOYSA-N -1 0 318.355 -0.714 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCc2cnnn2C)c1C(=O)[O-] ZINC001600674049 1017713711 /nfs/dbraw/zinc/71/37/11/1017713711.db2.gz ODWUUCXOYRIABP-UHFFFAOYSA-N -1 0 300.300 -0.977 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)c1C(=O)[O-] ZINC001600673182 1017713870 /nfs/dbraw/zinc/71/38/70/1017713870.db2.gz BDJGZJGZTAKXTH-SFYZADRCSA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCOCC23CC3)c1C(=O)[O-] ZINC001600673032 1017714422 /nfs/dbraw/zinc/71/44/22/1017714422.db2.gz SGDYWOOFMPZKHB-UHFFFAOYSA-N -1 0 301.324 -0.030 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@H](O)[C@@H]2CCCO2)c1C(=O)[O-] ZINC001600673411 1017714615 /nfs/dbraw/zinc/71/46/15/1017714615.db2.gz PWXHLFRIAXRKOD-YUMQZZPRSA-N -1 0 319.339 -0.765 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001498287953 1017715553 /nfs/dbraw/zinc/71/55/53/1017715553.db2.gz ZZZUXSUZNIBDJT-YMTOWFKASA-N -1 0 311.386 -0.002 20 0 DBADRM Cc1nc(C)c(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])[nH]1 ZINC001600682625 1017716126 /nfs/dbraw/zinc/71/61/26/1017716126.db2.gz KWKBNKGWOCZDSP-SECBINFHSA-N -1 0 315.351 -0.260 20 0 DBADRM Cc1nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c[nH]1 ZINC001600682458 1017716535 /nfs/dbraw/zinc/71/65/35/1017716535.db2.gz NNMHIEOYFRXULO-ULHKAFAUSA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1nn[nH]c1C(=O)NCCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600675769 1017716674 /nfs/dbraw/zinc/71/66/74/1017716674.db2.gz PPLWTSZDGDWZFS-BDAKNGLRSA-N -1 0 309.326 -0.588 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600675942 1017717068 /nfs/dbraw/zinc/71/70/68/1017717068.db2.gz XZLAKFWPIYKZOM-ZJUUUORDSA-N -1 0 321.337 -0.445 20 0 DBADRM Cc1nc(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])nn1-c1nc[nH]n1 ZINC001600682279 1017717756 /nfs/dbraw/zinc/71/77/56/1017717756.db2.gz JPUWJYMCFVIPFX-BQBZGAKWSA-N -1 0 309.261 -0.669 20 0 DBADRM Cc1nc(C)c(CC(=O)O[C@@H](C)C(=O)NCC(=O)[O-])c(=O)[nH]1 ZINC001600691801 1017718316 /nfs/dbraw/zinc/71/83/16/1017718316.db2.gz QQHWBZBWCFLILU-ZETCQYMHSA-N -1 0 311.294 -0.526 20 0 DBADRM Cc1nc(CS(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)no1 ZINC001600704487 1017718373 /nfs/dbraw/zinc/71/83/73/1017718373.db2.gz QLZVGQPBKXCJAP-UHFFFAOYSA-N -1 0 305.312 -0.881 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N[C@H](C(=O)[O-])C3CC3)nn2)no1 ZINC001600708461 1017718535 /nfs/dbraw/zinc/71/85/35/1017718535.db2.gz DEOLCJXZXPVCPI-JTQLQIEISA-N -1 0 306.282 -0.389 20 0 DBADRM Cc1nc(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])sc1C(N)=O ZINC001600701641 1017718735 /nfs/dbraw/zinc/71/87/35/1017718735.db2.gz HGSSKODFSWJBFF-RXMQYKEDSA-N -1 0 321.380 -0.309 20 0 DBADRM Cc1nc(CN2CC(O)(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)oc1C ZINC001600700008 1017718855 /nfs/dbraw/zinc/71/88/55/1017718855.db2.gz BKKPTXKAZVHUGQ-MNOVXSKESA-N -1 0 323.349 -0.325 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N[C@H](C(=O)[O-])C(C)C)nn2)no1 ZINC001600709535 1017719000 /nfs/dbraw/zinc/71/90/00/1017719000.db2.gz QVGGMCHOIBKEAA-JTQLQIEISA-N -1 0 308.298 -0.143 20 0 DBADRM Cc1nc(CN(C)S(=O)(=O)c2n[nH]cc2C(=O)[O-])no1 ZINC001600700643 1017719015 /nfs/dbraw/zinc/71/90/15/1017719015.db2.gz UNGRDFYLQJPXLB-UHFFFAOYSA-N -1 0 301.284 -0.380 20 0 DBADRM Cc1nc(CN(C)S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)no1 ZINC001600700488 1017719248 /nfs/dbraw/zinc/71/92/48/1017719248.db2.gz MJYBNCUOVUTKGJ-UHFFFAOYSA-N -1 0 301.284 -0.380 20 0 DBADRM Cc1nc(NC(=O)Cn2ccc(=O)n(C)c2=O)sc1C(=O)[O-] ZINC001600713125 1017719320 /nfs/dbraw/zinc/71/93/20/1017719320.db2.gz JWGTUCLXIIIJBY-UHFFFAOYSA-N -1 0 324.318 -0.351 20 0 DBADRM Cc1nc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)oc1C ZINC001600700007 1017719368 /nfs/dbraw/zinc/71/93/68/1017719368.db2.gz BKKPTXKAZVHUGQ-GHMZBOCLSA-N -1 0 323.349 -0.325 20 0 DBADRM Cc1nc(N(C)C)nc(N2CCC[C@H]2C(=O)NCC(=O)[O-])n1 ZINC001600709162 1017719633 /nfs/dbraw/zinc/71/96/33/1017719633.db2.gz YJFGGCPGDNBWDR-VIFPVBQESA-N -1 0 308.342 -0.584 20 0 DBADRM Cc1ncc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1C ZINC001600733483 1017720461 /nfs/dbraw/zinc/72/04/61/1017720461.db2.gz QLQKVYMDKGNTQW-HNNXBMFYSA-N -1 0 322.365 -0.270 20 0 DBADRM Cc1nc2ncnn2c(C)c1C(=O)OCC(=O)NCC(=O)[O-] ZINC001600732296 1017720502 /nfs/dbraw/zinc/72/05/02/1017720502.db2.gz UOMOBANQQMVKRI-UHFFFAOYSA-N -1 0 307.266 -0.901 20 0 DBADRM Cc1nc2ccc(NC(=O)C(=O)NCCOCC(=O)[O-])cn2n1 ZINC001600728637 1017720555 /nfs/dbraw/zinc/72/05/55/1017720555.db2.gz QZNCKWJFNWJPFT-UHFFFAOYSA-N -1 0 321.293 -0.806 20 0 DBADRM Cc1nc2c(n1CCO)CC[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C2 ZINC001600724604 1017720729 /nfs/dbraw/zinc/72/07/29/1017720729.db2.gz VJHPXVXOKRPMJA-OUAUKWLOSA-N -1 0 307.350 -0.122 20 0 DBADRM Cc1nc2n(n1)C[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)CC2 ZINC001600731760 1017720901 /nfs/dbraw/zinc/72/09/01/1017720901.db2.gz QGMISQXZJRGVPR-BBBLOLIVSA-N -1 0 314.367 -0.316 20 0 DBADRM Cc1nc2c(n1CCO)CC[C@H](NC(=O)COCC(=O)[O-])C2 ZINC001600724199 1017721160 /nfs/dbraw/zinc/72/11/60/1017721160.db2.gz JJLZZAFAYWDXMR-JTQLQIEISA-N -1 0 311.338 -0.741 20 0 DBADRM Cc1ncc(C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)n1C ZINC001600733676 1017721181 /nfs/dbraw/zinc/72/11/81/1017721181.db2.gz TWLXEWOYXOBZMX-UHFFFAOYSA-N -1 0 318.337 -0.177 20 0 DBADRM Cc1ncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1C ZINC001600734454 1017721379 /nfs/dbraw/zinc/72/13/79/1017721379.db2.gz WSPCUBUAKJFRSF-DBIOUOCHSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001600728570 1017721658 /nfs/dbraw/zinc/72/16/58/1017721658.db2.gz TXVKJUJEDUUFJR-HNNXBMFYSA-N -1 0 319.317 -0.343 20 0 DBADRM Cc1ncc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1C(=O)[O-] ZINC001600739317 1017722191 /nfs/dbraw/zinc/72/21/91/1017722191.db2.gz LXNKIJLSEAHFPY-UHFFFAOYSA-N -1 0 304.262 -0.011 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001498293225 1017722261 /nfs/dbraw/zinc/72/22/61/1017722261.db2.gz FNADWBBZTLYIKV-IUCAKERBSA-N -1 0 312.374 -0.639 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)s1 ZINC001600737137 1017722711 /nfs/dbraw/zinc/72/27/11/1017722711.db2.gz FDGAESIWFZIMMJ-SFYZADRCSA-N -1 0 313.335 -0.316 20 0 DBADRM Cc1ncc(NC(=O)CN2CC(=O)N(C)C2=O)cc1C(=O)[O-] ZINC001600740446 1017722862 /nfs/dbraw/zinc/72/28/62/1017722862.db2.gz FNPBPQZHWLPMHY-UHFFFAOYSA-N -1 0 306.278 -0.079 20 0 DBADRM Cc1nccc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)n1 ZINC001600748614 1017722930 /nfs/dbraw/zinc/72/29/30/1017722930.db2.gz CWKYXCCAYOBGIP-UHFFFAOYSA-N -1 0 313.335 -0.453 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CC(=O)N[C@H](C)C2)cc1C(=O)[O-] ZINC001600741515 1017722935 /nfs/dbraw/zinc/72/29/35/1017722935.db2.gz HDCGNOARHQOVRJ-SSDOTTSWSA-N -1 0 313.335 -0.403 20 0 DBADRM Cc1ncc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)o1 ZINC001600736437 1017723201 /nfs/dbraw/zinc/72/32/01/1017723201.db2.gz OTWIYSALGCOAJC-NEPJUHHUSA-N -1 0 321.333 -0.083 20 0 DBADRM Cc1ncc(S(=O)(=O)NC[C@H]2CNC(=O)C2)cc1C(=O)[O-] ZINC001600745951 1017723456 /nfs/dbraw/zinc/72/34/56/1017723456.db2.gz NORWWNGXVGLSQB-MRVPVSSYSA-N -1 0 313.335 -0.497 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC001600750784 1017724272 /nfs/dbraw/zinc/72/42/72/1017724272.db2.gz PHAYAODHOMRGMU-NSHDSACASA-N -1 0 322.321 -0.897 20 0 DBADRM Cc1ncncc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600758042 1017724318 /nfs/dbraw/zinc/72/43/18/1017724318.db2.gz HZVVZWJCPHUEMO-MNOVXSKESA-N -1 0 318.333 -0.210 20 0 DBADRM Cc1ncncc1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600758643 1017724488 /nfs/dbraw/zinc/72/44/88/1017724488.db2.gz SVKBZPIQUCUGGX-ZJUUUORDSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1ncccc1CC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600752881 1017724557 /nfs/dbraw/zinc/72/45/57/1017724557.db2.gz OPPRMCHXNRCQBL-QWHCGFSZSA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1nccn1CC(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001600754645 1017724608 /nfs/dbraw/zinc/72/46/08/1017724608.db2.gz HIPJSEPULKWLKN-VIFPVBQESA-N -1 0 318.337 -0.282 20 0 DBADRM Cc1ncccc1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001600754011 1017724717 /nfs/dbraw/zinc/72/47/17/1017724717.db2.gz PRUOUCLZWIXJQT-ZJUUUORDSA-N -1 0 307.306 -0.377 20 0 DBADRM Cc1ncncc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600758608 1017724756 /nfs/dbraw/zinc/72/47/56/1017724756.db2.gz RLNCFOXHUKHKKB-GHMZBOCLSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1ncoc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600758870 1017725065 /nfs/dbraw/zinc/72/50/65/1017725065.db2.gz GOMYRATZWBGADH-RKDXNWHRSA-N -1 0 323.305 -0.993 20 0 DBADRM Cc1ncncc1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600758642 1017725254 /nfs/dbraw/zinc/72/52/54/1017725254.db2.gz SVKBZPIQUCUGGX-VHSXEESVSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1ncc2n1C[C@@H](C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-])CC2 ZINC001600749636 1017725317 /nfs/dbraw/zinc/72/53/17/1017725317.db2.gz USYTVBNTFWOENM-CMPLNLGQSA-N -1 0 320.349 -0.492 20 0 DBADRM Cc1ncccc1NC(=O)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001600754107 1017725449 /nfs/dbraw/zinc/72/54/49/1017725449.db2.gz ULFLAEKLKHXHCJ-GHMZBOCLSA-N -1 0 307.306 -0.235 20 0 DBADRM Cc1ncn(C)c1C(=O)NCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001600758386 1017725732 /nfs/dbraw/zinc/72/57/32/1017725732.db2.gz NJWJVTGXLXXBIT-UWVGGRQHSA-N -1 0 308.338 -0.363 20 0 DBADRM Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)[nH]n1 ZINC001600768201 1017726476 /nfs/dbraw/zinc/72/64/76/1017726476.db2.gz JPJHNHBKJJBJIT-PELKAZGASA-N -1 0 321.337 -0.009 20 0 DBADRM Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001600771825 1017726589 /nfs/dbraw/zinc/72/65/89/1017726589.db2.gz XNEPEGXPMQWUER-OAHLLOKOSA-N -1 0 322.365 -0.024 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)c1C ZINC001600767114 1017726612 /nfs/dbraw/zinc/72/66/12/1017726612.db2.gz NIJJRXUOUBJPFJ-QWRGUYRKSA-N -1 0 323.349 -0.136 20 0 DBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600767523 1017726702 /nfs/dbraw/zinc/72/67/02/1017726702.db2.gz OQRWMXDNXKBPFD-UHFFFAOYSA-N -1 0 305.294 -0.814 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001600768293 1017726927 /nfs/dbraw/zinc/72/69/27/1017726927.db2.gz OQOODZBHNRMNAU-KOLCDFICSA-N -1 0 309.322 -0.344 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001600769747 1017727188 /nfs/dbraw/zinc/72/71/88/1017727188.db2.gz CKIWILRUXFRNPX-UHFFFAOYSA-N -1 0 311.338 -0.146 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)c1C ZINC001600767116 1017727199 /nfs/dbraw/zinc/72/71/99/1017727199.db2.gz NIJJRXUOUBJPFJ-WDEREUQCSA-N -1 0 323.349 -0.136 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001600770275 1017727398 /nfs/dbraw/zinc/72/73/98/1017727398.db2.gz GCQFHZVHJMURQJ-SNVBAGLBSA-N -1 0 324.337 -0.322 20 0 DBADRM Cc1nn(CC(=O)N2CCSC[C@@H](C(=O)[O-])C2)c(=O)o1 ZINC001600778369 1017728082 /nfs/dbraw/zinc/72/80/82/1017728082.db2.gz IFAUJWKJXUWVIT-QMMMGPOBSA-N -1 0 301.324 -0.579 20 0 DBADRM Cc1nn(C)c(NC(=O)[C@@H]2CCS(=O)(=O)C2)c1C(=O)[O-] ZINC001600773690 1017728709 /nfs/dbraw/zinc/72/87/09/1017728709.db2.gz XHUNFMMSYVXYAY-SSDOTTSWSA-N -1 0 301.324 -0.200 20 0 DBADRM Cc1nn(C)cc1CN1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600778187 1017728796 /nfs/dbraw/zinc/72/87/96/1017728796.db2.gz AGHJCLJJMITHAH-NEPJUHHUSA-N -1 0 322.365 -0.888 20 0 DBADRM Cc1nn(C)cc1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600776474 1017728821 /nfs/dbraw/zinc/72/88/21/1017728821.db2.gz PXTMENSYZCHILH-WDEREUQCSA-N -1 0 320.349 -0.266 20 0 DBADRM Cc1nn(C)cc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600776824 1017728829 /nfs/dbraw/zinc/72/88/29/1017728829.db2.gz XMOUZQGYYVWDCN-ZRUFSTJUSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@@H](C(=O)NCCOCC(=O)[O-])C1 ZINC001600777232 1017729014 /nfs/dbraw/zinc/72/90/14/1017729014.db2.gz DZZQDQXYDLTSMC-LLVKDONJSA-N -1 0 310.310 -0.561 20 0 DBADRM Cc1nn(C)cc1CC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001600776671 1017729208 /nfs/dbraw/zinc/72/92/08/1017729208.db2.gz YJCYXRIXNMSTRH-UHFFFAOYSA-N -1 0 324.381 -0.484 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001600777776 1017729256 /nfs/dbraw/zinc/72/92/56/1017729256.db2.gz PPZFYCMPQLSEFR-MRVPVSSYSA-N -1 0 305.381 -0.081 20 0 DBADRM Cc1nn(C)cc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600776822 1017729391 /nfs/dbraw/zinc/72/93/91/1017729391.db2.gz XMOUZQGYYVWDCN-YTWAJWBKSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1nn(C)c(F)c1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600772678 1017729468 /nfs/dbraw/zinc/72/94/68/1017729468.db2.gz NYMOQLZXPJRIFY-RKDXNWHRSA-N -1 0 324.312 -0.471 20 0 DBADRM Cc1nn(CC(=O)Nc2cccc(CC(=O)[O-])n2)c(=O)n1C ZINC001600779396 1017729977 /nfs/dbraw/zinc/72/99/77/1017729977.db2.gz DFJZXTVFLHBDPG-UHFFFAOYSA-N -1 0 305.294 -0.449 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)CN1CCCC1=O ZINC001600780838 1017730353 /nfs/dbraw/zinc/73/03/53/1017730353.db2.gz IEIXATYINXCHOZ-UHFFFAOYSA-N -1 0 308.338 -0.177 20 0 DBADRM Cc1nn(CC(=O)OCc2cnc(C(=O)[O-])cn2)c(=O)n1C ZINC001600781862 1017731151 /nfs/dbraw/zinc/73/11/51/1017731151.db2.gz IIFIRRMRHRZWTQ-UHFFFAOYSA-N -1 0 307.266 -0.878 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)s1 ZINC001600795826 1017731801 /nfs/dbraw/zinc/73/18/01/1017731801.db2.gz IQHQQLAOWRXAAQ-QMMMGPOBSA-N -1 0 312.351 -0.214 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)[nH]1 ZINC001600792540 1017731912 /nfs/dbraw/zinc/73/19/12/1017731912.db2.gz PLPFOSZTXSLXNV-LURJTMIESA-N -1 0 320.309 -0.034 20 0 DBADRM Cc1nnc(CN(C)C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)s1 ZINC001600795945 1017731935 /nfs/dbraw/zinc/73/19/35/1017731935.db2.gz WDBHMRNYIXXPIZ-OCAPTIKFSA-N -1 0 312.351 -0.216 20 0 DBADRM Cc1nnc(CC(=O)NC/C=C/CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])o1 ZINC001600794370 1017732022 /nfs/dbraw/zinc/73/20/22/1017732022.db2.gz MNBYWMPMULHEOA-NBYFHADBSA-N -1 0 322.321 -0.570 20 0 DBADRM Cc1nnc(CNCCN(CCO)C(=O)[C@H]2C[C@H]2C(=O)[O-])o1 ZINC001600795397 1017732421 /nfs/dbraw/zinc/73/24/21/1017732421.db2.gz UCJQLECTZDYOIM-VHSXEESVSA-N -1 0 312.326 -0.991 20 0 DBADRM Cc1nnc(CCN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])o1 ZINC001600794934 1017732574 /nfs/dbraw/zinc/73/25/74/1017732574.db2.gz BLPKVGADBLKLHM-VIFPVBQESA-N -1 0 303.340 -0.506 20 0 DBADRM Cc1nnc(N2CCN(c3cncc(C(=O)[O-])n3)CC2)n1C ZINC001600798544 1017732889 /nfs/dbraw/zinc/73/28/89/1017732889.db2.gz ZGSSSONLSLPYBD-UHFFFAOYSA-N -1 0 303.326 -0.062 20 0 DBADRM Cc1n[nH]c(=O)c(CNC(=O)Cn2cc(C(=O)[O-])nn2)c1C ZINC001600798508 1017733142 /nfs/dbraw/zinc/73/31/42/1017733142.db2.gz MANJYZOSNAZBKE-UHFFFAOYSA-N -1 0 306.282 -0.595 20 0 DBADRM Cc1nnccc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600800611 1017733584 /nfs/dbraw/zinc/73/35/84/1017733584.db2.gz YKZGGNICLSIGBO-DMWPJOQESA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1nnccc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600800612 1017733903 /nfs/dbraw/zinc/73/39/03/1017733903.db2.gz YKZGGNICLSIGBO-FSZOTQKASA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1noc(CN(C)S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1 ZINC001600812924 1017734154 /nfs/dbraw/zinc/73/41/54/1017734154.db2.gz QQFSPBJRDZNMHM-UHFFFAOYSA-N -1 0 315.311 -0.520 20 0 DBADRM Cc1nnccc1C(=O)N(C)CCNc1ccnc(C(=O)[O-])n1 ZINC001600800147 1017734299 /nfs/dbraw/zinc/73/42/99/1017734299.db2.gz ORMWWSPDDDWITA-UHFFFAOYSA-N -1 0 316.321 -0.121 20 0 DBADRM Cc1noc(CCCC(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001600811829 1017734345 /nfs/dbraw/zinc/73/43/45/1017734345.db2.gz JKJRGPAKPMJIDA-NXEZZACHSA-N -1 0 324.337 -0.346 20 0 DBADRM Cc1noc(CCCNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC001600812428 1017734361 /nfs/dbraw/zinc/73/43/61/1017734361.db2.gz FQFWVWCKIILXIB-AWEZNQCLSA-N -1 0 324.337 -0.250 20 0 DBADRM Cc1noc(C)c1NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001600810306 1017734546 /nfs/dbraw/zinc/73/45/46/1017734546.db2.gz JGJPFFKWRYUSQQ-RKDXNWHRSA-N -1 0 311.294 -0.476 20 0 DBADRM Cc1nnsc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600802366 1017734634 /nfs/dbraw/zinc/73/46/34/1017734634.db2.gz DISBIIOCXSVTBV-XAVMHZPKSA-N -1 0 324.362 -0.056 20 0 DBADRM Cc1nocc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600816721 1017735075 /nfs/dbraw/zinc/73/50/75/1017735075.db2.gz LVKRGCIRJLWROG-RKDXNWHRSA-N -1 0 323.305 -0.993 20 0 DBADRM Cc1noc(Cl)c1CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001600814805 1017735228 /nfs/dbraw/zinc/73/52/28/1017735228.db2.gz KGJRHLDOTRDROJ-MRVPVSSYSA-N -1 0 315.713 -0.019 20 0 DBADRM Cc1nonc1CC(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600817717 1017735670 /nfs/dbraw/zinc/73/56/70/1017735670.db2.gz NWPFGWRICKMSRT-RKDXNWHRSA-N -1 0 310.310 -0.784 20 0 DBADRM Cc1nonc1CC(=O)NCCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600818192 1017735806 /nfs/dbraw/zinc/73/58/06/1017735806.db2.gz ZSQRKAZJNSOWNS-DTWKUNHWSA-N -1 0 310.310 -0.736 20 0 DBADRM Cc1noc(CNC(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)n1 ZINC001600813454 1017736012 /nfs/dbraw/zinc/73/60/12/1017736012.db2.gz ZOOXBRTWQLYLBI-SECBINFHSA-N -1 0 322.321 -0.292 20 0 DBADRM Cc1nonc1CC(=O)NCCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600818191 1017736113 /nfs/dbraw/zinc/73/61/13/1017736113.db2.gz ZSQRKAZJNSOWNS-BDAKNGLRSA-N -1 0 310.310 -0.736 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600818002 1017736187 /nfs/dbraw/zinc/73/61/87/1017736187.db2.gz UHKSANCOFSKSGU-RGOKHQFPSA-N -1 0 322.321 -0.277 20 0 DBADRM Cc1nonc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600817661 1017736215 /nfs/dbraw/zinc/73/62/15/1017736215.db2.gz LBOHTCXOAZURLT-RKDXNWHRSA-N -1 0 308.294 -0.713 20 0 DBADRM Cc1oc(C(=O)N[C@@H](CO)C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC001600823279 1017736604 /nfs/dbraw/zinc/73/66/04/1017736604.db2.gz MVCVPEHMKVDTBA-ZETCQYMHSA-N -1 0 320.323 -0.986 20 0 DBADRM Cc1oc(S(=O)(=O)NCc2ncn(C)n2)cc1C(=O)[O-] ZINC001600855894 1017736650 /nfs/dbraw/zinc/73/66/50/1017736650.db2.gz BOPJDDLCJJGQSO-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001600856662 1017737314 /nfs/dbraw/zinc/73/73/14/1017737314.db2.gz KKJSIVUXFYPMTG-VXNVDRBHSA-N -1 0 317.319 -0.348 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001600835497 1017737493 /nfs/dbraw/zinc/73/74/93/1017737493.db2.gz DSYBEVXDDVHSOT-LLVKDONJSA-N -1 0 320.298 -0.126 20 0 DBADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CC[C@H]1C(=O)[O-] ZINC001600838440 1017737567 /nfs/dbraw/zinc/73/75/67/1017737567.db2.gz LCOSSANHDGVSHS-ZETCQYMHSA-N -1 0 302.308 -0.157 20 0 DBADRM Cc1oc(C)c(S(=O)(=O)NCC2(CO)COC2)c1C(=O)[O-] ZINC001600838612 1017737688 /nfs/dbraw/zinc/73/76/88/1017737688.db2.gz NTHDEMLJBXEMLN-UHFFFAOYSA-N -1 0 319.335 -0.118 20 0 DBADRM Cc1oc(CNC(=O)C2=NN(CCO)C(=O)CC2)cc1C(=O)[O-] ZINC001600848089 1017737734 /nfs/dbraw/zinc/73/77/34/1017737734.db2.gz VNSFCODZVYFUQS-UHFFFAOYSA-N -1 0 323.305 -0.127 20 0 DBADRM Cc1oc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)cc1C(=O)[O-] ZINC001600857410 1017737817 /nfs/dbraw/zinc/73/78/17/1017737817.db2.gz KOFCYZXWELXZEA-IONNQARKSA-N -1 0 305.308 -0.740 20 0 DBADRM Cc1oc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1S(C)(=O)=O ZINC001600823111 1017737842 /nfs/dbraw/zinc/73/78/42/1017737842.db2.gz ACDBYEOALIQDSQ-SFYZADRCSA-N -1 0 317.319 -0.348 20 0 DBADRM Cc1sc(S(N)(=O)=O)cc1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001600889225 1017738282 /nfs/dbraw/zinc/73/82/82/1017738282.db2.gz ABWJHPCDVXJFFI-JTQLQIEISA-N -1 0 322.364 -0.731 20 0 DBADRM Cn1c(-c2cc(=O)[nH]c(N)n2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001600892422 1017738411 /nfs/dbraw/zinc/73/84/11/1017738411.db2.gz UAQNJPDYWBIMOB-ZCFIWIBFSA-N -1 0 305.298 -0.529 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)Cn3cc(C(=O)[O-])cn3)ccnc1-2 ZINC001600891521 1017739220 /nfs/dbraw/zinc/73/92/20/1017739220.db2.gz VOTXWKUVNXWGGY-UHFFFAOYSA-N -1 0 300.278 -0.125 20 0 DBADRM Cc1occc1C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600860439 1017739528 /nfs/dbraw/zinc/73/95/28/1017739528.db2.gz IBPCTFSAUTULEK-QWRGUYRKSA-N -1 0 322.317 -0.388 20 0 DBADRM Cc1ocnc1C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600861472 1017739650 /nfs/dbraw/zinc/73/96/50/1017739650.db2.gz JZYATEMZRQISHS-DTWKUNHWSA-N -1 0 323.305 -0.993 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001600864009 1017739824 /nfs/dbraw/zinc/73/98/24/1017739824.db2.gz GFRNLHSLKPQVDX-BQBZGAKWSA-N -1 0 305.312 -0.979 20 0 DBADRM Cc1onc2c1c(C(=O)[O-])nn(CN1C[C@@H]3COC[C@@H]3C1)c2=O ZINC001600863231 1017740077 /nfs/dbraw/zinc/74/00/77/1017740077.db2.gz DMSZWWNITNRBIJ-DTORHVGOSA-N -1 0 320.305 -0.073 20 0 DBADRM Cn1c(=O)ccn(CC(=O)O[C@H]2CCC[C@@H](C(=O)[O-])C2)c1=O ZINC001600896888 1017740468 /nfs/dbraw/zinc/74/04/68/1017740468.db2.gz VJVQHYRWDOSGLB-ZJUUUORDSA-N -1 0 310.306 -0.266 20 0 DBADRM Cn1c(=O)ccn(CC(=O)O[C@H]2CCC[C@H](C(=O)[O-])C2)c1=O ZINC001600896886 1017741047 /nfs/dbraw/zinc/74/10/47/1017741047.db2.gz VJVQHYRWDOSGLB-UWVGGRQHSA-N -1 0 310.306 -0.266 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1=O ZINC001600896126 1017741196 /nfs/dbraw/zinc/74/11/96/1017741196.db2.gz RCAYXXLBTUOZTA-RXMQYKEDSA-N -1 0 309.200 -0.379 20 0 DBADRM Cn1c(=O)cc(C(=O)NCC(=O)NCC(=O)[O-])c2ccccc21 ZINC001600896750 1017741409 /nfs/dbraw/zinc/74/14/09/1017741409.db2.gz VDOKAUJKJXXTEE-UHFFFAOYSA-N -1 0 317.301 -0.531 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NC1(CS(C)(=O)=O)COC1 ZINC001600903566 1017741500 /nfs/dbraw/zinc/74/15/00/1017741500.db2.gz HAMNADOORFLQPT-UHFFFAOYSA-N -1 0 316.335 -0.733 20 0 DBADRM Cn1c(=O)oc2c1cccc2NC(=O)C(=O)NC1(C(=O)[O-])CC1 ZINC001600897393 1017741555 /nfs/dbraw/zinc/74/15/55/1017741555.db2.gz WDVDHTCBGBVRHX-UHFFFAOYSA-N -1 0 319.273 -0.197 20 0 DBADRM Cn1c2[nH]c(CN3CC4CC3(C(=O)[O-])C4)nc2c(=O)n(C)c1=O ZINC001600896623 1017741881 /nfs/dbraw/zinc/74/18/81/1017741881.db2.gz SSJWUVXRAHWXSL-UHFFFAOYSA-N -1 0 319.321 -0.991 20 0 DBADRM Cn1c(=O)cc(N2CC[C@@H](NC(=O)C3(C(=O)[O-])CC3)C2)[nH]c1=O ZINC001600895964 1017741983 /nfs/dbraw/zinc/74/19/83/1017741983.db2.gz HMHWHYJFRQRGGT-MRVPVSSYSA-N -1 0 322.321 -0.954 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N[C@](C)(Cn1cccn1)C(N)=O ZINC001600905202 1017742617 /nfs/dbraw/zinc/74/26/17/1017742617.db2.gz ZDASSTVMTFYYNP-CQSZACIVSA-N -1 0 319.321 -0.406 20 0 DBADRM Cn1c(CCC(N)=O)nnc1SC[C@H]1CC(C(=O)[O-])=NO1 ZINC001600911446 1017742725 /nfs/dbraw/zinc/74/27/25/1017742725.db2.gz IGWXPPUIUDYDPM-ZCFIWIBFSA-N -1 0 313.339 -0.445 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N[C@@](C)(Cn1cccn1)C(N)=O ZINC001600905201 1017743055 /nfs/dbraw/zinc/74/30/55/1017743055.db2.gz ZDASSTVMTFYYNP-AWEZNQCLSA-N -1 0 319.321 -0.406 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)OCC(=O)NC(=O)NC1CC1 ZINC001600906488 1017743358 /nfs/dbraw/zinc/74/33/58/1017743358.db2.gz GQOHNEGYRWLLRW-UHFFFAOYSA-N -1 0 309.278 -0.132 20 0 DBADRM Cn1c(CC(=O)NC[C@H](O)CC(=O)[O-])nnc1-c1ccccc1 ZINC001600913045 1017743699 /nfs/dbraw/zinc/74/36/99/1017743699.db2.gz XMFJJAPCHRGTIN-LLVKDONJSA-N -1 0 318.333 -0.024 20 0 DBADRM Cn1c(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)nnc1C1CC1 ZINC001600916841 1017743862 /nfs/dbraw/zinc/74/38/62/1017743862.db2.gz ZSYZCKGAXLHNFR-DTORHVGOSA-N -1 0 314.367 -0.025 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cn(C)ccc1=O ZINC001498335829 1017743927 /nfs/dbraw/zinc/74/39/27/1017743927.db2.gz JASGEYDCNLLYPX-SECBINFHSA-N -1 0 320.353 -0.541 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC001600905842 1017744274 /nfs/dbraw/zinc/74/42/74/1017744274.db2.gz UBWVLZTUUATORR-QMMMGPOBSA-N -1 0 315.351 -0.384 20 0 DBADRM Cn1c(CO)nc2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)ccc21 ZINC001600919274 1017744991 /nfs/dbraw/zinc/74/49/91/1017744991.db2.gz PDBLVAKGDOFBQX-GFCCVEGCSA-N -1 0 319.317 -0.009 20 0 DBADRM Cn1cc(C(=O)C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])cn1 ZINC001600927870 1017744845 /nfs/dbraw/zinc/74/48/45/1017744845.db2.gz IZMVXJWCKNMTLH-ZDUSSCGKSA-N -1 0 305.294 -0.541 20 0 DBADRM Cn1cc(-c2nn(C)cc2C(=O)NC[C@@H](O)CC(=O)[O-])cn1 ZINC001600924612 1017745359 /nfs/dbraw/zinc/74/53/59/1017745359.db2.gz IVZBGNXSARXUKZ-VIFPVBQESA-N -1 0 307.310 -0.614 20 0 DBADRM Cn1c(NCc2nc(C(=O)[O-])co2)nc2c1c(=O)[nH]c(=O)n2C ZINC001600921528 1017745543 /nfs/dbraw/zinc/74/55/43/1017745543.db2.gz DKRSCVLEPFXDPX-UHFFFAOYSA-N -1 0 320.265 -0.329 20 0 DBADRM Cn1cc(Br)c(C(=O)N[C@@H](CO)C(=O)[O-])cc1=O ZINC001600926392 1017745814 /nfs/dbraw/zinc/74/58/14/1017745814.db2.gz VLRJMHQYSNSBGD-ZETCQYMHSA-N -1 0 319.111 -0.677 20 0 DBADRM Cn1cc(C(=O)NCC2(C(=O)[O-])CCOCC2)c(=O)[nH]c1=O ZINC001600929684 1017747187 /nfs/dbraw/zinc/74/71/87/1017747187.db2.gz BNHRAHNAFFPELA-UHFFFAOYSA-N -1 0 311.294 -0.903 20 0 DBADRM Cn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001600930534 1017747199 /nfs/dbraw/zinc/74/71/99/1017747199.db2.gz HVOFPGSBRXOYSW-XKNYDFJKSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001600930533 1017747433 /nfs/dbraw/zinc/74/74/33/1017747433.db2.gz HVOFPGSBRXOYSW-KYXWUPHJSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1cc(C(=O)NCC=CCNc2ccnc(C(=O)[O-])n2)nn1 ZINC001600930015 1017747741 /nfs/dbraw/zinc/74/77/41/1017747741.db2.gz MOJHZJJOHXBYJD-IHWYPQMZSA-N -1 0 317.309 -0.877 20 0 DBADRM Cn1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]c1=O ZINC001600929724 1017748110 /nfs/dbraw/zinc/74/81/10/1017748110.db2.gz CQBIZVPJGBXIQI-IUCAKERBSA-N -1 0 322.321 -0.965 20 0 DBADRM Cn1cc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)ccc1=O ZINC001600929197 1017748278 /nfs/dbraw/zinc/74/82/78/1017748278.db2.gz YMBRTWRRBSFFEL-AWEZNQCLSA-N -1 0 305.290 -0.169 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c2=O ZINC001600930262 1017748327 /nfs/dbraw/zinc/74/83/27/1017748327.db2.gz PODAMUIMUHRMNP-ZKCHVHJHSA-N -1 0 304.306 -0.135 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)CCC(=O)N2CCC(O)CC2)n1 ZINC001600932490 1017748787 /nfs/dbraw/zinc/74/87/87/1017748787.db2.gz FNRRFXLMMNGOEP-UHFFFAOYSA-N -1 0 324.337 -0.180 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)[C@H]2CCc3nnn(C)c3C2)n1 ZINC001600931908 1017748791 /nfs/dbraw/zinc/74/87/91/1017748791.db2.gz AWDYWXABOYCKEB-ZETCQYMHSA-N -1 0 304.310 -0.010 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@](F)(CO)C1 ZINC001600941859 1017750061 /nfs/dbraw/zinc/75/00/61/1017750061.db2.gz WSKAGKVQURNRMA-NSHDSACASA-N -1 0 306.315 -0.182 20 0 DBADRM Cn1cc([C@H]2C[S@](=O)CCN2C(=O)COCC(=O)[O-])cn1 ZINC001600943814 1017750516 /nfs/dbraw/zinc/75/05/16/1017750516.db2.gz MURXNUWYCQAXEZ-LADRHHBVSA-N -1 0 315.351 -0.847 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)cn1 ZINC001600942634 1017750878 /nfs/dbraw/zinc/75/08/78/1017750878.db2.gz LAHDXJWLGYMDNB-SKDRFNHKSA-N -1 0 319.321 -0.001 20 0 DBADRM CN(C(=O)C(=O)NCCc1cnn(C)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001600950143 1017753473 /nfs/dbraw/zinc/75/34/73/1017753473.db2.gz PKQOSRJZHRPJSA-PHIMTYICSA-N -1 0 308.338 -0.600 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCCNC(=O)C2)cc1C(=O)[O-] ZINC001600958584 1017754011 /nfs/dbraw/zinc/75/40/11/1017754011.db2.gz HXLMPXQOGDLIAS-UHFFFAOYSA-N -1 0 308.294 -0.990 20 0 DBADRM Cn1cc(CNC(=O)c2ccoc2CC(=O)[O-])c(=O)[nH]c1=O ZINC001600953221 1017754144 /nfs/dbraw/zinc/75/41/44/1017754144.db2.gz UPXQSPQLTFXRNF-UHFFFAOYSA-N -1 0 307.262 -0.364 20 0 DBADRM Cn1cc(CNS(=O)(=O)CC2(C(=O)[O-])CCCC2)nn1 ZINC001600955131 1017754717 /nfs/dbraw/zinc/75/47/17/1017754717.db2.gz XQTOUZSRVIKJPL-UHFFFAOYSA-N -1 0 302.356 -0.121 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@H](CO)CCF)cc1C(=O)[O-] ZINC001600958736 1017754968 /nfs/dbraw/zinc/75/49/68/1017754968.db2.gz JMPUFGLLSQLRQT-ZETCQYMHSA-N -1 0 301.274 -0.502 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])ccc1=O ZINC001600959860 1017755337 /nfs/dbraw/zinc/75/53/37/1017755337.db2.gz VLIYSKLHZNJDRU-VHSXEESVSA-N -1 0 307.306 -0.307 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@@H](CO)CC2CC2)cc1C(=O)[O-] ZINC001600959183 1017755571 /nfs/dbraw/zinc/75/55/71/1017755571.db2.gz PEOPONSAJYBXPJ-SNVBAGLBSA-N -1 0 309.322 -0.061 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)cc1C(=O)[O-] ZINC001600958152 1017755763 /nfs/dbraw/zinc/75/57/63/1017755763.db2.gz BNQGTAOTNHOCTD-DTORHVGOSA-N -1 0 307.306 -0.233 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N3CC(C)(C(=O)[O-])C3)CC2=O)cn1 ZINC001600961819 1017756800 /nfs/dbraw/zinc/75/68/00/1017756800.db2.gz MPMRISXDLBZFFU-SECBINFHSA-N -1 0 306.322 -0.294 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])CC2=O)cn1 ZINC001600962520 1017757081 /nfs/dbraw/zinc/75/70/81/1017757081.db2.gz XMMSSQCREGDSFP-PTOFAABTSA-N -1 0 322.321 -0.869 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@@H](O)[C@H](F)C2)cc1C(=O)[O-] ZINC001600966776 1017757287 /nfs/dbraw/zinc/75/72/87/1017757287.db2.gz FDTUGYAYITWODX-PSASIEDQSA-N -1 0 306.315 -0.183 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCCNC(=O)C2CC2)cc1C(=O)[O-] ZINC001600960431 1017757408 /nfs/dbraw/zinc/75/74/08/1017757408.db2.gz LDYYVCLCLUMAOF-UHFFFAOYSA-N -1 0 322.321 -0.696 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)NC3(CC(=O)[O-])CC3)CC2=O)cn1 ZINC001600962133 1017757492 /nfs/dbraw/zinc/75/74/92/1017757492.db2.gz PZRUURDOYINOLX-VIFPVBQESA-N -1 0 306.322 -0.104 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])nc1Cl ZINC001600966834 1017757540 /nfs/dbraw/zinc/75/75/40/1017757540.db2.gz HXXCQDQBGDJIJN-HTRCEHHLSA-N -1 0 323.758 -0.328 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001600967343 1017757792 /nfs/dbraw/zinc/75/77/92/1017757792.db2.gz NQPOQJCLFIVPKX-GXSJLCMTSA-N -1 0 324.333 -0.023 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@H](O)[C@@H](F)C2)cc1C(=O)[O-] ZINC001600966779 1017757934 /nfs/dbraw/zinc/75/79/34/1017757934.db2.gz FDTUGYAYITWODX-WPRPVWTQSA-N -1 0 306.315 -0.183 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@H](O)[C@H](F)C2)cc1C(=O)[O-] ZINC001600966777 1017758051 /nfs/dbraw/zinc/75/80/51/1017758051.db2.gz FDTUGYAYITWODX-SCZZXKLOSA-N -1 0 306.315 -0.183 20 0 DBADRM Cn1cc(NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1C(=O)[O-] ZINC001600962407 1017758147 /nfs/dbraw/zinc/75/81/47/1017758147.db2.gz BTWJFOLFZHFTKJ-VIFPVBQESA-N -1 0 321.293 -0.509 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)N3CCO[C@@H](C(=O)[O-])C3)C2)cn1 ZINC001600961827 1017758228 /nfs/dbraw/zinc/75/82/28/1017758228.db2.gz MSABVKSROUKKJU-CMPLNLGQSA-N -1 0 323.353 -0.506 20 0 DBADRM Cn1ccc(C(=O)NCCN(CCO)C(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC001600972662 1017759774 /nfs/dbraw/zinc/75/97/74/1017759774.db2.gz PUGSPZIUSNASRM-RYUDHWBXSA-N -1 0 323.349 -0.704 20 0 DBADRM Cn1cc(S(=O)(=O)NCCOC(=O)C2(C(=O)[O-])CC2)cn1 ZINC001600968738 1017760287 /nfs/dbraw/zinc/76/02/87/1017760287.db2.gz XKSSALNIJWUZLQ-UHFFFAOYSA-N -1 0 317.323 -0.894 20 0 DBADRM Cn1ccc(C(=O)N2CC[C@H](Nc3ccnc(C(=O)[O-])n3)C2)n1 ZINC001600970662 1017760540 /nfs/dbraw/zinc/76/05/40/1017760540.db2.gz DKYWZONUXFWMKB-VIFPVBQESA-N -1 0 316.321 -0.343 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])cn1 ZINC001600968533 1017761270 /nfs/dbraw/zinc/76/12/70/1017761270.db2.gz ZSABCIWLCATNNH-WCBMZHEXSA-N -1 0 303.340 -0.279 20 0 DBADRM Cn1cc(S(=O)(=O)NCC[C@@H]2CNC(=O)C2)cc1C(=O)[O-] ZINC001600969183 1017761492 /nfs/dbraw/zinc/76/14/92/1017761492.db2.gz ZHJLIJLOTUNAFG-QMMMGPOBSA-N -1 0 315.351 -0.472 20 0 DBADRM Cn1ccc(-n2cc(CN3C[C@H](O)C[C@@H](C(=O)[O-])C3)nn2)n1 ZINC001600971905 1017762027 /nfs/dbraw/zinc/76/20/27/1017762027.db2.gz DPDJPCRYQOOTRB-MWLCHTKSSA-N -1 0 306.326 -0.732 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])n1 ZINC001600976892 1017763973 /nfs/dbraw/zinc/76/39/73/1017763973.db2.gz YIQFKOOPCZENBC-LLVKDONJSA-N -1 0 308.338 -0.456 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])n1 ZINC001600977906 1017764061 /nfs/dbraw/zinc/76/40/61/1017764061.db2.gz WWBGVLADNPOWAT-LLVKDONJSA-N -1 0 313.339 -0.562 20 0 DBADRM Cn1ccc(NC(=O)CNC(=O)CCSCC(=O)[O-])n1 ZINC001600974604 1017764259 /nfs/dbraw/zinc/76/42/59/1017764259.db2.gz BBFUCUFLKAGKMW-UHFFFAOYSA-N -1 0 300.340 -0.317 20 0 DBADRM Cn1ccc(NC(=O)CNC(=O)c2ccc(C(=O)[O-])n2C)n1 ZINC001600976352 1017764776 /nfs/dbraw/zinc/76/47/76/1017764776.db2.gz XWUWXSTXUQWXOS-UHFFFAOYSA-N -1 0 305.294 -0.175 20 0 DBADRM Cn1ccc(CN2CC(CCO)(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600976884 1017765161 /nfs/dbraw/zinc/76/51/61/1017765161.db2.gz VYCYAFINAJUEDA-RYUDHWBXSA-N -1 0 322.365 -0.806 20 0 DBADRM Cn1cccc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600978517 1017765246 /nfs/dbraw/zinc/76/52/46/1017765246.db2.gz FTDNTZOCJOVHFZ-GHMZBOCLSA-N -1 0 305.334 -0.066 20 0 DBADRM Cn1cccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1=O ZINC001600978206 1017765652 /nfs/dbraw/zinc/76/56/52/1017765652.db2.gz ONPMODFSULFOFH-MNOVXSKESA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2CCN(c3ccnc(C(=O)[O-])n3)C2)n1 ZINC001600986614 1017766898 /nfs/dbraw/zinc/76/68/98/1017766898.db2.gz CBVILPQLNVKARM-QMMMGPOBSA-N -1 0 317.309 -0.688 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2CCN(c3ccnc(C(=O)[O-])n3)C2)c1 ZINC001600986665 1017769104 /nfs/dbraw/zinc/76/91/04/1017769104.db2.gz DOBLWGYJRIPNDZ-VIFPVBQESA-N -1 0 316.321 -0.083 20 0 DBADRM Cn1ccnc1Cc1nnc(N2CCO[C@H](CC(=O)[O-])C2)n1C ZINC001600986203 1017769187 /nfs/dbraw/zinc/76/91/87/1017769187.db2.gz APWQXFWMHRGHPX-SNVBAGLBSA-N -1 0 320.353 -0.181 20 0 DBADRM Cn1cnc(S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-])c1Cl ZINC001600991238 1017770203 /nfs/dbraw/zinc/77/02/03/1017770203.db2.gz XRGVTUFMTBVKTL-YFKPBYRVSA-N -1 0 311.747 -0.424 20 0 DBADRM Cn1cnc(-c2ccc(C(=O)OCC(=O)NCC(=O)[O-])cc2)n1 ZINC001600988504 1017771167 /nfs/dbraw/zinc/77/11/67/1017771167.db2.gz UZYYIXWWRCCCNQ-UHFFFAOYSA-N -1 0 318.289 -0.160 20 0 DBADRM Cn1cnc(NC(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)cc1=O ZINC001600989745 1017771446 /nfs/dbraw/zinc/77/14/46/1017771446.db2.gz QMNWYFUJGPLQAL-BDAKNGLRSA-N -1 0 310.310 -0.361 20 0 DBADRM Cn1cnc(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)n1 ZINC001600987697 1017771772 /nfs/dbraw/zinc/77/17/72/1017771772.db2.gz RLWVLQDUJKQUMS-UHFFFAOYSA-N -1 0 303.278 -0.118 20 0 DBADRM Cn1cnc(-c2nnc3n2CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C3)c1 ZINC001600988036 1017772082 /nfs/dbraw/zinc/77/20/82/1017772082.db2.gz PZPRTLKFYOJRCI-DTWKUNHWSA-N -1 0 316.321 -0.259 20 0 DBADRM Cn1cnnc1[C@H](CO)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001600994857 1017774454 /nfs/dbraw/zinc/77/44/54/1017774454.db2.gz ZHOZCUBMHYKURK-SGRBOOSSSA-N -1 0 306.278 -0.031 20 0 DBADRM Cn1cnc2ccc(C(=O)NC3(C(=O)[O-])CC(CO)C3)nc21 ZINC001600992563 1017774881 /nfs/dbraw/zinc/77/48/81/1017774881.db2.gz ASGYPNOYUPJCGE-UHFFFAOYSA-N -1 0 304.306 -0.076 20 0 DBADRM Cn1cnn(CCC(=O)N2CCSC[C@@H](C(=O)[O-])C2)c1=O ZINC001600995003 1017775960 /nfs/dbraw/zinc/77/59/60/1017775960.db2.gz BCZOETCRJSDHDJ-VIFPVBQESA-N -1 0 314.367 -0.752 20 0 DBADRM Cn1cncc1CC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600993776 1017775983 /nfs/dbraw/zinc/77/59/83/1017775983.db2.gz VYCILHXYISMLLE-NWDGAFQWSA-N -1 0 320.349 -0.646 20 0 DBADRM Cn1cncc1CCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600993411 1017776325 /nfs/dbraw/zinc/77/63/25/1017776325.db2.gz MOGZAVVGNSEOIJ-VXGBXAGGSA-N -1 0 320.349 -0.600 20 0 DBADRM Cn1cncc1C(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600992348 1017776598 /nfs/dbraw/zinc/77/65/98/1017776598.db2.gz LOTTWKJOVJWOFN-GHMZBOCLSA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1cnc2cc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])ccc21 ZINC001600993219 1017776624 /nfs/dbraw/zinc/77/66/24/1017776624.db2.gz HZOLRRDAIRKXLG-SECBINFHSA-N -1 0 320.305 -0.536 20 0 DBADRM Cn1cnnc1SCC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001600994973 1017776755 /nfs/dbraw/zinc/77/67/55/1017776755.db2.gz FZOQCUPPLRVGPK-UHFFFAOYSA-N -1 0 311.327 -0.987 20 0 DBADRM Cn1cnn(CC(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])c1=O ZINC001600996102 1017778323 /nfs/dbraw/zinc/77/83/23/1017778323.db2.gz QUIMEZAKPCNQGD-SNVBAGLBSA-N -1 0 320.305 -0.901 20 0 DBADRM Cn1cnnc1CN1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600996719 1017778706 /nfs/dbraw/zinc/77/87/06/1017778706.db2.gz UYYGLBNQXKEHPU-MNOVXSKESA-N -1 0 307.354 -0.430 20 0 DBADRM Cn1cnnc1CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC001600996112 1017778907 /nfs/dbraw/zinc/77/89/07/1017778907.db2.gz JOPBLDZMGLTSMK-MNOVXSKESA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1cnn(CC(=O)N[C@H](CC(=O)[O-])c2ccncc2)c1=O ZINC001600995549 1017779531 /nfs/dbraw/zinc/77/95/31/1017779531.db2.gz LNAJPEQWNFJTOY-SNVBAGLBSA-N -1 0 305.294 -0.691 20 0 DBADRM Cn1cnn(CC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)c1=O ZINC001600995795 1017780599 /nfs/dbraw/zinc/78/05/99/1017780599.db2.gz OSIWJAOWUHIGSA-UHFFFAOYSA-N -1 0 323.334 -0.068 20 0 DBADRM Cn1cnnc1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001600995618 1017780721 /nfs/dbraw/zinc/78/07/21/1017780721.db2.gz WVXWNEIZJOOODN-UHFFFAOYSA-N -1 0 318.355 -0.541 20 0 DBADRM Cn1nc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1Br ZINC001600999686 1017781162 /nfs/dbraw/zinc/78/11/62/1017781162.db2.gz XUZFXQZLMBWGRY-IYSWYEEDSA-N -1 0 318.127 -0.157 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001601002665 1017782254 /nfs/dbraw/zinc/78/22/54/1017782254.db2.gz DWXZPCMXLDAJPJ-SSDOTTSWSA-N -1 0 318.293 -0.167 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)CN1CCCCS1(=O)=O ZINC001601003009 1017782898 /nfs/dbraw/zinc/78/28/98/1017782898.db2.gz OYWSUGMEVKXFSV-UHFFFAOYSA-N -1 0 316.339 -0.518 20 0 DBADRM Cn1nc(NC(=O)N2CCCS(=O)(=O)CC2)cc1C(=O)[O-] ZINC001601014041 1017783217 /nfs/dbraw/zinc/78/32/17/1017783217.db2.gz KOIUKQKOKBOCDM-UHFFFAOYSA-N -1 0 316.339 -0.229 20 0 DBADRM Cn1nc(NC(=O)CNC(=O)c2ncccc2O)cc1C(=O)[O-] ZINC001601012608 1017783620 /nfs/dbraw/zinc/78/36/20/1017783620.db2.gz AHNVOFONKZOLTI-UHFFFAOYSA-N -1 0 319.277 -0.413 20 0 DBADRM Cn1ncc(CN2CCC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001601026213 1017785452 /nfs/dbraw/zinc/78/54/52/1017785452.db2.gz KYSCYOZFAFUWEC-NWDGAFQWSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1ncc(CNC(=O)C(=O)Nc2ccsc2C(=O)[O-])n1 ZINC001601026056 1017785510 /nfs/dbraw/zinc/78/55/10/1017785510.db2.gz CIFVRXYFDKLZSL-UHFFFAOYSA-N -1 0 309.307 -0.170 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@@]1(C)CCOC1 ZINC001601022820 1017787435 /nfs/dbraw/zinc/78/74/35/1017787435.db2.gz IAOQYTHNXBWBBL-CYBMUJFWSA-N -1 0 310.310 -0.400 20 0 DBADRM Cn1ncc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001601021570 1017787514 /nfs/dbraw/zinc/78/75/14/1017787514.db2.gz HDPUVJAPBLHPIS-KYXWUPHJSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1nccc1[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001601032072 1017788207 /nfs/dbraw/zinc/78/82/07/1017788207.db2.gz UEYGURYNOMDRMO-QMMMGPOBSA-N -1 0 315.307 -0.277 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001601027395 1017788350 /nfs/dbraw/zinc/78/83/50/1017788350.db2.gz HKORHSQIGKVCCS-SNVBAGLBSA-N -1 0 323.758 -0.014 20 0 DBADRM Cn1ncc(NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cc1=O ZINC001601028580 1017789748 /nfs/dbraw/zinc/78/97/48/1017789748.db2.gz MICBRALHHBQCMI-NSHDSACASA-N -1 0 310.310 -0.530 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001601027399 1017790310 /nfs/dbraw/zinc/79/03/10/1017790310.db2.gz HMWOVCPBQMAKBF-SFYZADRCSA-N -1 0 323.758 -0.328 20 0 DBADRM Cn1ncc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])c1C1CC1 ZINC001601028292 1017790126 /nfs/dbraw/zinc/79/01/26/1017790126.db2.gz AJRJILWPSJWSMY-MRVPVSSYSA-N -1 0 310.310 -0.812 20 0 DBADRM Cn1nccc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001601031399 1017790493 /nfs/dbraw/zinc/79/04/93/1017790493.db2.gz BDFLEVODMZJDFM-YTWAJWBKSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])CC2 ZINC001601031317 1017790820 /nfs/dbraw/zinc/79/08/20/1017790820.db2.gz XQECJJMUASLYCT-CABZTGNLSA-N -1 0 320.349 -0.673 20 0 DBADRM Cn1ncc(CCC(=O)NCCNc2ncc(C(=O)[O-])cn2)n1 ZINC001601026946 1017791089 /nfs/dbraw/zinc/79/10/89/1017791089.db2.gz DFDYAENQQKKRGF-UHFFFAOYSA-N -1 0 319.325 -0.536 20 0 DBADRM Cn1nccc1C(=O)NC1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601032094 1017791667 /nfs/dbraw/zinc/79/16/67/1017791667.db2.gz UHKAXAMUOFRPGS-QWRGUYRKSA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1ncc2cc(C(=O)NC3(C(=O)[O-])CC(CO)C3)cnc21 ZINC001601033106 1017792657 /nfs/dbraw/zinc/79/26/57/1017792657.db2.gz YGYFBCZSQOXWGR-UHFFFAOYSA-N -1 0 304.306 -0.076 20 0 DBADRM Cn1nccc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001601038074 1017793702 /nfs/dbraw/zinc/79/37/02/1017793702.db2.gz OVNFTAXKDZPXFV-QCMRWSPLSA-N -1 0 320.349 -0.553 20 0 DBADRM Cn1nccc1[C@H]1CN(Cc2cn(CC(=O)[O-])nn2)CCO1 ZINC001601037684 1017793942 /nfs/dbraw/zinc/79/39/42/1017793942.db2.gz KKELAAHULDKMBB-GFCCVEGCSA-N -1 0 306.326 -0.330 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)c2ccccc2C(=O)[O-])C1 ZINC001601039097 1017794094 /nfs/dbraw/zinc/79/40/94/1017794094.db2.gz ZBHIOTVESVKSEK-UHFFFAOYSA-N -1 0 302.290 -0.143 20 0 DBADRM Cn1nccc1CC(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001601038443 1017794346 /nfs/dbraw/zinc/79/43/46/1017794346.db2.gz WVPARHYLVFMZRU-LLVKDONJSA-N -1 0 309.322 -0.029 20 0 DBADRM Cn1ncnc1Cn1cc(CN2CCCC[C@H]2C(=O)[O-])nn1 ZINC001601039513 1017795433 /nfs/dbraw/zinc/79/54/33/1017795433.db2.gz HWZPUOQRRPKRDT-NSHDSACASA-N -1 0 305.342 -0.106 20 0 DBADRM Cn1nccc1CNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001601039068 1017795949 /nfs/dbraw/zinc/79/59/49/1017795949.db2.gz CWXMKCPJQNUDTJ-ZDUSSCGKSA-N -1 0 307.310 -0.065 20 0 DBADRM Cn1nccc1[C@H]1CN(C(=O)NC[C@H](F)C(=O)[O-])CCO1 ZINC001601038043 1017796031 /nfs/dbraw/zinc/79/60/31/1017796031.db2.gz OBZFALHPRZQBED-WCBMZHEXSA-N -1 0 300.290 -0.074 20 0 DBADRM Cn1nccc1[C@H]1COCCN1C(=O)NC[C@H](F)C(=O)[O-] ZINC001601038115 1017796354 /nfs/dbraw/zinc/79/63/54/1017796354.db2.gz PVRKAJYUHIEESB-WCBMZHEXSA-N -1 0 300.290 -0.074 20 0 DBADRM Cn1nncc1CNC(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001601042433 1017796892 /nfs/dbraw/zinc/79/68/92/1017796892.db2.gz CZVSOAAUWMFWPX-UHFFFAOYSA-N -1 0 305.298 -0.022 20 0 DBADRM Cn1nncc1C(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001601041970 1017797059 /nfs/dbraw/zinc/79/70/59/1017797059.db2.gz GBYOMCXMMIWFJX-VIFPVBQESA-N -1 0 317.309 -0.688 20 0 DBADRM Cn1nncc1C(=O)NC/C=C\CNc1ccnc(C(=O)[O-])n1 ZINC001601042070 1017799001 /nfs/dbraw/zinc/79/90/01/1017799001.db2.gz HIYUYFYCUHPJBY-IHWYPQMZSA-N -1 0 317.309 -0.877 20 0 DBADRM Cn1nnc(CNC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)n1 ZINC001601040499 1017799109 /nfs/dbraw/zinc/79/91/09/1017799109.db2.gz KTEGEIGYDYUXOU-NOZJJQNGSA-N -1 0 308.342 -0.004 20 0 DBADRM Cn1nnc(CNC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])n1 ZINC001601040944 1017799337 /nfs/dbraw/zinc/79/93/37/1017799337.db2.gz WDHFXTBUBZGQAU-UHFFFAOYSA-N -1 0 322.256 -0.698 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001601040811 1017800098 /nfs/dbraw/zinc/80/00/98/1017800098.db2.gz JTTJAFLPWJQHSY-SCZZXKLOSA-N -1 0 305.294 -0.587 20 0 DBADRM Cn1nnc2c1CC[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C2 ZINC001601042561 1017800300 /nfs/dbraw/zinc/80/03/00/1017800300.db2.gz FVEATQPBYRWGKK-MRVPVSSYSA-N -1 0 316.383 -0.297 20 0 DBADRM Cn1nncc1S(=O)(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001601045025 1017800475 /nfs/dbraw/zinc/80/04/75/1017800475.db2.gz RRXZRCXRFSBDAU-UHFFFAOYSA-N -1 0 315.311 -0.285 20 0 DBADRM Cn1nncc1NC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001601045225 1017800517 /nfs/dbraw/zinc/80/05/17/1017800517.db2.gz XPEXTJYCBNWLIA-ZDUSSCGKSA-N -1 0 324.341 -0.792 20 0 DBADRM Cn1nncc1C(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001601042707 1017800801 /nfs/dbraw/zinc/80/08/01/1017800801.db2.gz SKLHORYRSSTAAE-MRVPVSSYSA-N -1 0 317.309 -0.948 20 0 DBADRM Cn1nncc1CN1CCC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601043425 1017800817 /nfs/dbraw/zinc/80/08/17/1017800817.db2.gz TXHNLKYJUHRWBY-CHWSQXEVSA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1nnc2c1CC[C@H](NC(=O)Cn1cc(C(=O)[O-])cn1)C2 ZINC001601043794 1017800880 /nfs/dbraw/zinc/80/08/80/1017800880.db2.gz MAKJOHLRKFXFTH-VIFPVBQESA-N -1 0 304.310 -0.617 20 0 DBADRM Cn1nnnc1CCCNS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001601044192 1017801034 /nfs/dbraw/zinc/80/10/34/1017801034.db2.gz ICJWDNGMCLEVNR-UHFFFAOYSA-N -1 0 305.360 -0.827 20 0 DBADRM Cn1nnnc1CNC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCC1 ZINC001601045546 1017801096 /nfs/dbraw/zinc/80/10/96/1017801096.db2.gz CAKJBDHARHDEBO-RKDXNWHRSA-N -1 0 308.342 -0.941 20 0 DBADRM Cn1nnc2cc(C(=O)NCCC(=O)NCCC(=O)[O-])cnc21 ZINC001601043998 1017801237 /nfs/dbraw/zinc/80/12/37/1017801237.db2.gz WBLHGZZDCLHKCG-UHFFFAOYSA-N -1 0 320.309 -0.926 20 0 DBADRM Cn1nnnc1CN1CCC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601046994 1017801533 /nfs/dbraw/zinc/80/15/33/1017801533.db2.gz WPGOISBSJRNFIZ-UWVGGRQHSA-N -1 0 308.342 -0.989 20 0 DBADRM Cn1nnnc1CNC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCCC1 ZINC001601047234 1017801886 /nfs/dbraw/zinc/80/18/86/1017801886.db2.gz ZXNCEJWKNKOFMN-NXEZZACHSA-N -1 0 322.369 -0.551 20 0 DBADRM Cn1nnnc1CN1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601046998 1017801923 /nfs/dbraw/zinc/80/19/23/1017801923.db2.gz WPGOISBSJRNFIZ-ZJUUUORDSA-N -1 0 308.342 -0.989 20 0 DBADRM NC(=O)C1(C(=O)NCC2(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CCC2)CC1 ZINC001601139314 1017808456 /nfs/dbraw/zinc/80/84/56/1017808456.db2.gz LBSZTTGCGLTUSS-IUCAKERBSA-N -1 0 323.349 -0.872 20 0 DBADRM NC(=O)C(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CCCC1 ZINC001601137742 1017808634 /nfs/dbraw/zinc/80/86/34/1017808634.db2.gz XGLTWFRFXYDRHG-UHFFFAOYSA-N -1 0 307.310 -0.499 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)OC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001601139447 1017808826 /nfs/dbraw/zinc/80/88/26/1017808826.db2.gz SYDRDNYAIRXQID-NSHDSACASA-N -1 0 318.289 -0.384 20 0 DBADRM NC(=O)C1(C(=O)N[C@@H]2CCN(c3ccnc(C(=O)[O-])n3)C2)CC1 ZINC001601139309 1017808837 /nfs/dbraw/zinc/80/88/37/1017808837.db2.gz KXXMGADKSSNLRF-MRVPVSSYSA-N -1 0 319.321 -0.865 20 0 DBADRM NC(=O)C1(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CCCC1 ZINC001601138493 1017808948 /nfs/dbraw/zinc/80/89/48/1017808948.db2.gz HZGSWJCZBMEAAF-VIFPVBQESA-N -1 0 311.338 -0.776 20 0 DBADRM NC(=O)[C@@]1(NS(=O)(=O)c2ccc(C(=O)[O-])s2)CCOC1 ZINC001601138220 1017809030 /nfs/dbraw/zinc/80/90/30/1017809030.db2.gz FCHMEVIZEGOATN-SNVBAGLBSA-N -1 0 320.348 -0.631 20 0 DBADRM NC(=O)C1(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)CC1 ZINC001601140113 1017809124 /nfs/dbraw/zinc/80/91/24/1017809124.db2.gz XBOIUCRGZSLVJD-NXEZZACHSA-N -1 0 323.349 -0.967 20 0 DBADRM NC(=O)C(=O)NCCC1(CNc2ncc(C(=O)[O-])cn2)CC1 ZINC001601137491 1017809214 /nfs/dbraw/zinc/80/92/14/1017809214.db2.gz SLPGOWVWEMCRGS-UHFFFAOYSA-N -1 0 307.310 -0.642 20 0 DBADRM NC(=O)[C@@H](Cc1ccccc1)OC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001601139446 1017809318 /nfs/dbraw/zinc/80/93/18/1017809318.db2.gz SYDRDNYAIRXQID-LLVKDONJSA-N -1 0 318.289 -0.384 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])C1 ZINC001601142881 1017809601 /nfs/dbraw/zinc/80/96/01/1017809601.db2.gz UFRABVHWKVXLMX-GMTAPVOTSA-N -1 0 308.338 -0.256 20 0 DBADRM NC(=O)C1=NO[C@@H](CNCc2ccccc2OCC(=O)[O-])C1 ZINC001601140843 1017809619 /nfs/dbraw/zinc/80/96/19/1017809619.db2.gz DSOHWOMALYDEQM-SNVBAGLBSA-N -1 0 307.306 -0.130 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001601141001 1017809880 /nfs/dbraw/zinc/80/98/80/1017809880.db2.gz GCFCHJSKHXADHG-JTQLQIEISA-N -1 0 305.290 -0.326 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)CCCn2ccc(C(=O)[O-])n2)O1 ZINC001601142619 1017809910 /nfs/dbraw/zinc/80/99/10/1017809910.db2.gz MUHZOIZMLWRGPQ-ONGXEEELSA-N -1 0 324.337 -0.489 20 0 DBADRM CC(C)(C)CC(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001498463666 1017810224 /nfs/dbraw/zinc/81/02/24/1017810224.db2.gz QARPWPGCTHMBOG-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001601142776 1017810345 /nfs/dbraw/zinc/81/03/45/1017810345.db2.gz QYCGDNOYITVSAV-AEJSXWLSSA-N -1 0 321.337 -0.349 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)O1 ZINC001601142145 1017810536 /nfs/dbraw/zinc/81/05/36/1017810536.db2.gz HPGUFMSATPQROF-XWLWVQCSSA-N -1 0 314.338 -0.452 20 0 DBADRM NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001601144469 1017810751 /nfs/dbraw/zinc/81/07/51/1017810751.db2.gz HNMFJRHWPCKFEI-RKDXNWHRSA-N -1 0 304.368 -0.185 20 0 DBADRM NC(=O)[C@H]1CSCCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001601145271 1017810874 /nfs/dbraw/zinc/81/08/74/1017810874.db2.gz BQSRWPCAWCECRK-MRVPVSSYSA-N -1 0 322.408 -0.526 20 0 DBADRM NC(=O)CC(=O)N1CCCC[C@H]1CNc1ccnc(C(=O)[O-])n1 ZINC001601145403 1017811146 /nfs/dbraw/zinc/81/11/46/1017811146.db2.gz GPZBWJHPSFHOPW-VIFPVBQESA-N -1 0 321.337 -0.735 20 0 DBADRM NC(=O)[C@H]1CCCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC001601144878 1017811156 /nfs/dbraw/zinc/81/11/56/1017811156.db2.gz XLTUCXIVOAAHQC-QMMMGPOBSA-N -1 0 313.335 -0.334 20 0 DBADRM NC(=O)CC(=O)NC[C@@H](Nc1ncc(C(=O)[O-])cn1)C1CC1 ZINC001601145370 1017811443 /nfs/dbraw/zinc/81/14/43/1017811443.db2.gz GHYASVIWPNOMDE-SECBINFHSA-N -1 0 307.310 -0.643 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CCO1 ZINC001601145225 1017811596 /nfs/dbraw/zinc/81/15/96/1017811596.db2.gz AAMZSBWWLGXATI-AEJSXWLSSA-N -1 0 300.311 -0.889 20 0 DBADRM NC(=O)CC(=O)NC[C@H]1CCCCN1c1ccnc(C(=O)[O-])n1 ZINC001601146099 1017811611 /nfs/dbraw/zinc/81/16/11/1017811611.db2.gz PJRNZXSAMMFHHU-SECBINFHSA-N -1 0 321.337 -0.475 20 0 DBADRM NC(=O)CC(=O)NCC[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001601144952 1017811628 /nfs/dbraw/zinc/81/16/28/1017811628.db2.gz AETSMMMZWQMVTF-VIFPVBQESA-N -1 0 321.337 -0.617 20 0 DBADRM NC(=O)CC1CC(NC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001601147677 1017811943 /nfs/dbraw/zinc/81/19/43/1017811943.db2.gz QNBBLUDMOKCJHB-CTCYHXBNSA-N -1 0 324.337 -0.345 20 0 DBADRM NC(=O)[C@H]1CCC[C@@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC001601146572 1017812487 /nfs/dbraw/zinc/81/24/87/1017812487.db2.gz XXDHZHUTFAJEDJ-IQJOONFLSA-N -1 0 308.338 -0.187 20 0 DBADRM NC(=O)C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001601147437 1017812376 /nfs/dbraw/zinc/81/23/76/1017812376.db2.gz DSOUKAOIQIHJTR-SSDOTTSWSA-N -1 0 317.323 -0.351 20 0 DBADRM NC(=O)CCCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001601148375 1017812445 /nfs/dbraw/zinc/81/24/45/1017812445.db2.gz DNPPMKQYEHLILJ-UHFFFAOYSA-N -1 0 323.305 -0.530 20 0 DBADRM NC(=O)C[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CCO1 ZINC001601148470 1017812677 /nfs/dbraw/zinc/81/26/77/1017812677.db2.gz OEABODLNZWFNJF-SECBINFHSA-N -1 0 320.367 -0.853 20 0 DBADRM NC(=O)CN1CCC[C@H](NC(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001601150683 1017813104 /nfs/dbraw/zinc/81/31/04/1017813104.db2.gz FDHGRCQHBPMUMT-ZDUSSCGKSA-N -1 0 319.361 -0.007 20 0 DBADRM NC(=O)CN(CC(N)=O)C(=O)CCc1ccccc1C(=O)[O-] ZINC001601150901 1017813197 /nfs/dbraw/zinc/81/31/97/1017813197.db2.gz KFQUCSSCMOOTDX-UHFFFAOYSA-N -1 0 307.306 -0.883 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2ccsc2CC(=O)[O-])CC1 ZINC001601151092 1017813413 /nfs/dbraw/zinc/81/34/13/1017813413.db2.gz OQINCAREUSSVPZ-UHFFFAOYSA-N -1 0 311.363 -0.382 20 0 DBADRM NC(=O)CN(C1CCOCC1)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001601151278 1017813437 /nfs/dbraw/zinc/81/34/37/1017813437.db2.gz YFOZCNZODOHSJL-UHFFFAOYSA-N -1 0 320.367 -0.853 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cc1 ZINC001601156267 1017814202 /nfs/dbraw/zinc/81/42/02/1017814202.db2.gz QUFHSXAJLDPBCT-NWDGAFQWSA-N -1 0 321.333 -0.095 20 0 DBADRM NC(=O)N1CC[C@@H](CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001601154326 1017814566 /nfs/dbraw/zinc/81/45/66/1017814566.db2.gz BDNXWQRZCQXBJZ-AEJSXWLSSA-N -1 0 319.383 -0.440 20 0 DBADRM NC(=O)Cn1cc(NC(=O)c2ccnc(C(=O)[O-])c2)ccc1=O ZINC001601154428 1017814815 /nfs/dbraw/zinc/81/48/15/1017814815.db2.gz HGLJJFGLLQHVDZ-UHFFFAOYSA-N -1 0 316.273 -0.321 20 0 DBADRM NC(=O)Cc1occc1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001601153777 1017815130 /nfs/dbraw/zinc/81/51/30/1017815130.db2.gz WLBPEJHGSUMGNR-UHFFFAOYSA-N -1 0 310.306 -0.081 20 0 DBADRM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001601157321 1017815310 /nfs/dbraw/zinc/81/53/10/1017815310.db2.gz JFZJBPVRNBGNQR-SECBINFHSA-N -1 0 313.335 -0.184 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001601158853 1017815563 /nfs/dbraw/zinc/81/55/63/1017815563.db2.gz WTLJJWOELUQESO-ABAIWWIYSA-N -1 0 321.333 -0.730 20 0 DBADRM NC(=O)N[C@@H](CO)C(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001601158483 1017815621 /nfs/dbraw/zinc/81/56/21/1017815621.db2.gz QDKZHKJDEBBFLN-JTQLQIEISA-N -1 0 323.305 -0.865 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])O1 ZINC001601157599 1017815817 /nfs/dbraw/zinc/81/58/17/1017815817.db2.gz XIAVLMIBQSKWEN-ADEWGFFLSA-N -1 0 322.317 -0.463 20 0 DBADRM NC(=O)NC[C@@H]1CCCCN1C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001601158042 1017816043 /nfs/dbraw/zinc/81/60/43/1017816043.db2.gz TWFJNOOXHXXNLN-VIFPVBQESA-N -1 0 309.326 -0.369 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCSC[C@@H]2CC(=O)[O-])O1 ZINC001601158529 1017816174 /nfs/dbraw/zinc/81/61/74/1017816174.db2.gz JLEFGZWIBUYJOQ-XHNCKOQMSA-N -1 0 302.352 -0.562 20 0 DBADRM NC(=O)NCCC(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001601158283 1017816185 /nfs/dbraw/zinc/81/61/85/1017816185.db2.gz VFMGCVRWFBFNDL-LBPRGKRZSA-N -1 0 307.306 -0.078 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001601158466 1017816205 /nfs/dbraw/zinc/81/62/05/1017816205.db2.gz PTHADAVPJUZOPA-IJLUTSLNSA-N -1 0 321.333 -0.658 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001601159599 1017816366 /nfs/dbraw/zinc/81/63/66/1017816366.db2.gz ASKIBZCBVOGZOG-HBNTYKKESA-N -1 0 313.354 -0.493 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCc3[nH]nc(C(=O)[O-])c3C2)[nH]1 ZINC001601163223 1017816718 /nfs/dbraw/zinc/81/67/18/1017816718.db2.gz JBUSGZSMPURTBL-UHFFFAOYSA-N -1 0 303.278 -0.267 20 0 DBADRM NC(=O)c1cc(N2CCOC[C@H]2CC(=O)[O-])nc(Cl)n1 ZINC001601161872 1017816753 /nfs/dbraw/zinc/81/67/53/1017816753.db2.gz QCQRWPTXBVLZMB-ZCFIWIBFSA-N -1 0 300.702 -0.091 20 0 DBADRM NC(=O)[C@H]1C[C@H](NS(=O)(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC001601160380 1017816863 /nfs/dbraw/zinc/81/68/63/1017816863.db2.gz MPRWPBKFXXOSCW-LRHSEUGZSA-N -1 0 304.368 -0.187 20 0 DBADRM NC(=O)c1cc(CNC(=O)Cc2ccc(C(=O)[O-])nc2)on1 ZINC001601161256 1017817024 /nfs/dbraw/zinc/81/70/24/1017817024.db2.gz YLBLQBNOJMIXRT-UHFFFAOYSA-N -1 0 304.262 -0.274 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])cn1 ZINC001601162945 1017817039 /nfs/dbraw/zinc/81/70/39/1017817039.db2.gz VTOOFUBDQAINEO-SNVBAGLBSA-N -1 0 323.305 -0.483 20 0 DBADRM NC(=O)c1cccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC001601168276 1017817523 /nfs/dbraw/zinc/81/75/23/1017817523.db2.gz XDXGLPCUNSTPFJ-LLVKDONJSA-N -1 0 319.317 -0.665 20 0 DBADRM NC(=O)c1ccc(OCC(=O)NC[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC001601167136 1017817668 /nfs/dbraw/zinc/81/76/68/1017817668.db2.gz LFYVKXAZWVVRCD-HNNXBMFYSA-N -1 0 322.317 -0.228 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])c1 ZINC001601168668 1017818395 /nfs/dbraw/zinc/81/83/95/1017818395.db2.gz HTCONURGRQRWIJ-SECBINFHSA-N -1 0 304.299 -0.123 20 0 DBADRM NC(=O)c1csc(CNC(=O)NCCSCC(=O)[O-])n1 ZINC001601170530 1017819357 /nfs/dbraw/zinc/81/93/57/1017819357.db2.gz GWYAEQLBAPEEHM-UHFFFAOYSA-N -1 0 318.380 -0.141 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)NC1(C(=O)[O-])CCC1 ZINC001601170672 1017819537 /nfs/dbraw/zinc/81/95/37/1017819537.db2.gz JLPHJTLIGNKRCD-UHFFFAOYSA-N -1 0 303.278 -0.435 20 0 DBADRM NC(=O)c1ncn(CC(=O)NCc2ccc(C(=O)[O-])s2)n1 ZINC001601173748 1017820044 /nfs/dbraw/zinc/82/00/44/1017820044.db2.gz NXTDSLNXECCKHE-UHFFFAOYSA-N -1 0 309.307 -0.547 20 0 DBADRM NC(=O)c1ncn(CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)n1 ZINC001601173901 1017820179 /nfs/dbraw/zinc/82/01/79/1017820179.db2.gz QDCYWWFRWXQYBF-ZETCQYMHSA-N -1 0 323.334 -0.229 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)S1 ZINC001601178440 1017820247 /nfs/dbraw/zinc/82/02/47/1017820247.db2.gz NULAENOVWMFCKJ-VXNVDRBHSA-N -1 0 315.351 -0.773 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@@]2(CC(=O)[O-])CCOC2)S1 ZINC001601178739 1017820267 /nfs/dbraw/zinc/82/02/67/1017820267.db2.gz XGQCWJTXDUKZFZ-KSBSHMNSSA-N -1 0 301.324 -0.707 20 0 DBADRM NC(=O)c1ncn(CC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)n1 ZINC001601174197 1017820521 /nfs/dbraw/zinc/82/05/21/1017820521.db2.gz UJHRRACGOXBGBI-VIFPVBQESA-N -1 0 309.326 -0.473 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001601192045 1017822464 /nfs/dbraw/zinc/82/24/64/1017822464.db2.gz HHYGSNOGVHOWPZ-VIFPVBQESA-N -1 0 313.335 -0.327 20 0 DBADRM NS(=O)(=O)C1(C(=O)NCc2ncc(C(=O)[O-])s2)CC1 ZINC001601192704 1017822886 /nfs/dbraw/zinc/82/28/86/1017822886.db2.gz UKRMPCUPJHOKQR-UHFFFAOYSA-N -1 0 305.337 -0.721 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC001601193300 1017823368 /nfs/dbraw/zinc/82/33/68/1017823368.db2.gz UHOKYJYYYCOIGW-LLVKDONJSA-N -1 0 316.335 -0.297 20 0 DBADRM NS(=O)(=O)C1CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC001601193009 1017823348 /nfs/dbraw/zinc/82/33/48/1017823348.db2.gz YORCNTVGMQPLBM-UHFFFAOYSA-N -1 0 313.335 -0.327 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(Cc2oncc2C(=O)[O-])C1 ZINC001601193776 1017823669 /nfs/dbraw/zinc/82/36/69/1017823669.db2.gz HUMFLLHZVBZAPV-QMMMGPOBSA-N -1 0 303.340 -0.127 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001601193901 1017823734 /nfs/dbraw/zinc/82/37/34/1017823734.db2.gz JSZARXGRCUDXBX-UHEGKEBESA-N -1 0 316.379 -0.232 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001601192892 1017823867 /nfs/dbraw/zinc/82/38/67/1017823867.db2.gz XJWWHYQEPIVBAH-IVZWLZJFSA-N -1 0 320.367 -0.854 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001601193098 1017823980 /nfs/dbraw/zinc/82/39/80/1017823980.db2.gz LNSUWBOTDSUPJN-GXSJLCMTSA-N -1 0 322.383 -0.728 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001601194631 1017824069 /nfs/dbraw/zinc/82/40/69/1017824069.db2.gz UUQSXGBXSPAVFR-MRVPVSSYSA-N -1 0 313.335 -0.470 20 0 DBADRM NS(=O)(=O)CCCCCCC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001601193192 1017824131 /nfs/dbraw/zinc/82/41/31/1017824131.db2.gz PPTMSYCTKGDRIK-LBPRGKRZSA-N -1 0 322.383 -0.415 20 0 DBADRM NS(=O)(=O)c1cc(CN2CCC([C@H](O)C(=O)[O-])CC2)co1 ZINC001601196391 1017824508 /nfs/dbraw/zinc/82/45/08/1017824508.db2.gz GSCITHMQEIDKCG-NSHDSACASA-N -1 0 318.351 -0.416 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])s1 ZINC001601196670 1017824551 /nfs/dbraw/zinc/82/45/51/1017824551.db2.gz GCJIPWLZBNZKAF-PHDIDXHHSA-N -1 0 304.349 -0.154 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NCCOCC(=O)[O-])ccc1F ZINC001601196261 1017824602 /nfs/dbraw/zinc/82/46/02/1017824602.db2.gz VIXDUWQUSJIAHR-UHFFFAOYSA-N -1 0 320.298 -0.696 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)OCCCCC(=O)[O-])C1 ZINC001601195380 1017824759 /nfs/dbraw/zinc/82/47/59/1017824759.db2.gz RANZTXNXCGNBOV-VIFPVBQESA-N -1 0 308.356 -0.300 20 0 DBADRM NS(=O)(=O)c1cc(CN2CCC[C@H](O)[C@H]2C(=O)[O-])co1 ZINC001601196987 1017824814 /nfs/dbraw/zinc/82/48/14/1017824814.db2.gz XYFZBOHVHLXVAD-WPRPVWTQSA-N -1 0 304.324 -0.663 20 0 DBADRM NS(=O)(=O)c1ccc(CCC(=O)NC[C@H](F)C(=O)[O-])cc1 ZINC001601197434 1017824863 /nfs/dbraw/zinc/82/48/63/1017824863.db2.gz SMMHNZCQCZSUPI-JTQLQIEISA-N -1 0 318.326 -0.195 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H](CCF)C(=O)[O-])cn1 ZINC001601196586 1017824956 /nfs/dbraw/zinc/82/49/56/1017824956.db2.gz BDAQIDBDWKKDCO-SSDOTTSWSA-N -1 0 305.287 -0.728 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@H]2C(=O)[O-])oc1Cl ZINC001601195682 1017824997 /nfs/dbraw/zinc/82/49/97/1017824997.db2.gz BZJDAVKBQMKDLG-BYPYZUCNSA-N -1 0 308.699 -0.121 20 0 DBADRM NS(=O)(=O)Cc1ccc(C(=O)NC[C@H](O)CC(=O)[O-])cc1 ZINC001601194925 1017825350 /nfs/dbraw/zinc/82/53/50/1017825350.db2.gz XJXQVXDNKPDCCU-SNVBAGLBSA-N -1 0 316.335 -0.960 20 0 DBADRM NS(=O)(=O)c1ccsc1C(=O)N[C@@H](CCF)C(=O)[O-] ZINC001601201808 1017825584 /nfs/dbraw/zinc/82/55/84/1017825584.db2.gz NKBHZLADWRRTBU-YFKPBYRVSA-N -1 0 310.328 -0.062 20 0 DBADRM NS(=O)(=O)c1ccc(CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])o1 ZINC001601197864 1017825592 /nfs/dbraw/zinc/82/55/92/1017825592.db2.gz AZNNZUGIINXLSP-PSASIEDQSA-N -1 0 304.324 -0.663 20 0 DBADRM NS(=O)(=O)c1cccc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC001601199921 1017826011 /nfs/dbraw/zinc/82/60/11/1017826011.db2.gz SAZWKFFBBSSQKL-MWLCHTKSSA-N -1 0 300.336 -0.646 20 0 DBADRM NS(=O)(=O)c1ccsc1C(=O)OCCCC(=O)C(=O)[O-] ZINC001601201601 1017826177 /nfs/dbraw/zinc/82/61/77/1017826177.db2.gz IFNURMAYTYFJFB-UHFFFAOYSA-N -1 0 321.332 -0.014 20 0 DBADRM NS(=O)(=O)c1sccc1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001601200869 1017826396 /nfs/dbraw/zinc/82/63/96/1017826396.db2.gz MFCWZXJNRZKQQU-JTQLQIEISA-N -1 0 320.348 -0.943 20 0 DBADRM Nc1ccccc1S(=O)(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001601217254 1017826800 /nfs/dbraw/zinc/82/68/00/1017826800.db2.gz GUPDQFWRFZJZSI-UHFFFAOYSA-N -1 0 300.336 -0.227 20 0 DBADRM Nc1n[nH]c(CNC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)n1 ZINC001601219117 1017826906 /nfs/dbraw/zinc/82/69/06/1017826906.db2.gz WRWZKBJLEPAGAF-SECBINFHSA-N -1 0 322.247 -0.065 20 0 DBADRM Nc1c(C(=O)N[C@@H](CO)C(=O)[O-])cnn1Cc1ccccc1 ZINC001601207370 1017827251 /nfs/dbraw/zinc/82/72/51/1017827251.db2.gz BFGXXCYLSLVXGT-NSHDSACASA-N -1 0 304.306 -0.311 20 0 DBADRM Nc1cccc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1 ZINC001601217097 1017827451 /nfs/dbraw/zinc/82/74/51/1017827451.db2.gz DAMPMDSBPHWSBJ-SCZZXKLOSA-N -1 0 300.336 -0.275 20 0 DBADRM Nc1nc(CN2CCNC(=O)[C@H]2CC(=O)[O-])nc2ccccc12 ZINC001601220841 1017827887 /nfs/dbraw/zinc/82/78/87/1017827887.db2.gz WHRIDYFQHOHHBG-LLVKDONJSA-N -1 0 315.333 -0.013 20 0 DBADRM Nc1ncnc2cc(C(=O)N3CC[C@](O)(C(=O)[O-])C3)ccc12 ZINC001601222578 1017828051 /nfs/dbraw/zinc/82/80/51/1017828051.db2.gz FLAKWDSTTXGHNX-CQSZACIVSA-N -1 0 302.290 -0.126 20 0 DBADRM Nc1ncn(CC(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])n1 ZINC001601221878 1017828556 /nfs/dbraw/zinc/82/85/56/1017828556.db2.gz FHRCTXIJDXATPY-SNVBAGLBSA-N -1 0 305.294 -0.491 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001601222441 1017828591 /nfs/dbraw/zinc/82/85/91/1017828591.db2.gz YOVJJERXINBHMF-QMMMGPOBSA-N -1 0 304.310 -0.268 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC001601224057 1017828656 /nfs/dbraw/zinc/82/86/56/1017828656.db2.gz LVHBIDLCCNWXEH-VIFPVBQESA-N -1 0 302.294 -0.378 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)C=CC(=O)Nc1ccc2n[nH]cc2c1 ZINC001601229141 1017829560 /nfs/dbraw/zinc/82/95/60/1017829560.db2.gz CWPJZAGTTNELFH-UFFNRZRYSA-N -1 0 318.289 -0.381 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)CC2(O)CCC2)C1 ZINC001601246757 1017830112 /nfs/dbraw/zinc/83/01/12/1017830112.db2.gz CDWMQXNLTCFYOL-NAKRPEOUSA-N -1 0 310.350 -0.224 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)NCC1(C(=O)[O-])CCOCC1 ZINC001601254711 1017830284 /nfs/dbraw/zinc/83/02/84/1017830284.db2.gz CBUVLHVSXUNMBL-UHFFFAOYSA-N -1 0 305.352 -0.581 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)CC(=O)NCC(F)(F)F)CCOC1 ZINC001601244055 1017830403 /nfs/dbraw/zinc/83/04/03/1017830403.db2.gz NPVDOKTVGKJKGY-SNVBAGLBSA-N -1 0 312.244 -0.338 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 ZINC001601246785 1017830414 /nfs/dbraw/zinc/83/04/14/1017830414.db2.gz CXKAWQJWPCZWSR-HKLXJQGRSA-N -1 0 322.361 -0.415 20 0 DBADRM O=C(CN1C(=O)CCC1=O)NC1(C(=O)[O-])CCSCC1 ZINC001601302379 1017835274 /nfs/dbraw/zinc/83/52/74/1017835274.db2.gz GKKNTVZUZUJDNL-UHFFFAOYSA-N -1 0 300.336 -0.398 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CC1(n2cnnn2)CCOCC1 ZINC001601247560 1017830796 /nfs/dbraw/zinc/83/07/96/1017830796.db2.gz WYPKQHBBFQZCFH-NXEZZACHSA-N -1 0 309.326 -0.594 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001601255134 1017830823 /nfs/dbraw/zinc/83/08/23/1017830823.db2.gz KUCTUBLCEONKKE-SECBINFHSA-N -1 0 321.351 -0.856 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)CC2(O)CCC2)C1 ZINC001601246758 1017830902 /nfs/dbraw/zinc/83/09/02/1017830902.db2.gz CDWMQXNLTCFYOL-XWLWVQCSSA-N -1 0 310.350 -0.224 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)CC2CCC2)n1 ZINC001601253227 1017830915 /nfs/dbraw/zinc/83/09/15/1017830915.db2.gz ZAOMRWGWELRPOP-SNVBAGLBSA-N -1 0 308.338 -0.324 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCCN1C(=O)CCC1=O ZINC001601268004 1017831564 /nfs/dbraw/zinc/83/15/64/1017831564.db2.gz MELRLEMNDHEGJU-JTQLQIEISA-N -1 0 322.321 -0.549 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NC(=O)CCC(=O)N2CCC(O)CC2)[C@H]2C[C@H]21 ZINC001601258970 1017831731 /nfs/dbraw/zinc/83/17/31/1017831731.db2.gz FZROMNPDOQIKSU-XQHKEYJVSA-N -1 0 324.377 -0.025 20 0 DBADRM O=C([O-])c1cnc(CNC(=O)CC[C@H]2NC(=O)NC2=O)s1 ZINC001601264389 1017831742 /nfs/dbraw/zinc/83/17/42/1017831742.db2.gz IJKIMRYCUXFYIZ-RXMQYKEDSA-N -1 0 312.307 -0.554 20 0 DBADRM O=C([O-])c1ncoc1CNC(=O)CCC(=O)N1CCOCC1 ZINC001601261405 1017831933 /nfs/dbraw/zinc/83/19/33/1017831933.db2.gz YCZLKFKNJJEXGN-UHFFFAOYSA-N -1 0 311.294 -0.372 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001601268147 1017831947 /nfs/dbraw/zinc/83/19/47/1017831947.db2.gz UJOOMAVILXGFHD-RCOVLWMOSA-N -1 0 319.264 -0.600 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNC(=O)CCCn1ccnc1 ZINC001601274575 1017832031 /nfs/dbraw/zinc/83/20/31/1017832031.db2.gz ZQPAGYNQZLOFCI-QWRGUYRKSA-N -1 0 308.338 -0.384 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N[C@@H](CO)c2ncc[nH]2)n1 ZINC001601271807 1017832064 /nfs/dbraw/zinc/83/20/64/1017832064.db2.gz HLDKSAASOKLEEX-JTQLQIEISA-N -1 0 307.310 -0.066 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)CCC(F)F)n1 ZINC001601262867 1017832097 /nfs/dbraw/zinc/83/20/97/1017832097.db2.gz SSEYXXZUMPRWHK-SSDOTTSWSA-N -1 0 318.280 -0.469 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCC(=O)NCc2ccccn2)O1 ZINC001601277708 1017832235 /nfs/dbraw/zinc/83/22/35/1017832235.db2.gz OOTBOCKPTRMALN-NEPJUHHUSA-N -1 0 321.333 -0.164 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCCNC(=O)c1ccn[nH]1 ZINC001601284638 1017832928 /nfs/dbraw/zinc/83/29/28/1017832928.db2.gz MAFRXUCBSBESAW-VHSXEESVSA-N -1 0 324.337 -0.474 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC001601276381 1017832952 /nfs/dbraw/zinc/83/29/52/1017832952.db2.gz UTMOAGKPIOBCRP-QMMMGPOBSA-N -1 0 315.301 -0.220 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)CCNC(=O)c1ccco1 ZINC001601277850 1017832954 /nfs/dbraw/zinc/83/29/54/1017832954.db2.gz OUSJDPKLSBEWRP-VIFPVBQESA-N -1 0 321.293 -0.739 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)CCn2cncn2)C1 ZINC001601300714 1017833457 /nfs/dbraw/zinc/83/34/57/1017833457.db2.gz MYAQISFHNNDKHX-YTWAJWBKSA-N -1 0 321.337 -0.848 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)CCc2nnc[nH]2)n1 ZINC001601296493 1017833785 /nfs/dbraw/zinc/83/37/85/1017833785.db2.gz IMFIUTSQORSECJ-UHFFFAOYSA-N -1 0 319.325 -0.734 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001601300857 1017833844 /nfs/dbraw/zinc/83/38/44/1017833844.db2.gz UNNQCSFAHJJFGQ-YTWAJWBKSA-N -1 0 321.333 -0.458 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)CCc1cn[nH]c1 ZINC001601293919 1017834182 /nfs/dbraw/zinc/83/41/82/1017834182.db2.gz OPXMVYJELQBMMA-HHDBNCKJSA-N -1 0 320.349 -0.148 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001601296686 1017834218 /nfs/dbraw/zinc/83/42/18/1017834218.db2.gz LKTXORHQLXAPBJ-RGOKHQFPSA-N -1 0 321.337 -0.779 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC001601298939 1017834544 /nfs/dbraw/zinc/83/45/44/1017834544.db2.gz MPORDOBIXHFDTP-VIFPVBQESA-N -1 0 321.289 -0.946 20 0 DBADRM O=C(CN1C(=O)Cc2ccccc21)N[C@@]1(C(=O)[O-])CCOC1 ZINC001601301966 1017834892 /nfs/dbraw/zinc/83/48/92/1017834892.db2.gz SVAGKPJGDMYVQA-HNNXBMFYSA-N -1 0 304.302 -0.064 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)CN2CCC(CO)CC2)CCOC1 ZINC001601305084 1017835270 /nfs/dbraw/zinc/83/52/70/1017835270.db2.gz JHFUSPMMXDMFKU-CQSZACIVSA-N -1 0 300.355 -0.702 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2C[C@@H](CO)[C@H](CCO)C2)n1 ZINC001601305776 1017835526 /nfs/dbraw/zinc/83/55/26/1017835526.db2.gz NEAACEJFYQIOJF-MNOVXSKESA-N -1 0 323.349 -0.359 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NCCCn2cccn2)C1=O ZINC001601309931 1017835685 /nfs/dbraw/zinc/83/56/85/1017835685.db2.gz GGTGZAUHNWEUOU-NSHDSACASA-N -1 0 308.338 -0.287 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H](CO)CC(F)F)C1=O ZINC001601308242 1017836028 /nfs/dbraw/zinc/83/60/28/1017836028.db2.gz KEHYRVXOQMZOEQ-SFYZADRCSA-N -1 0 308.281 -0.558 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)OC1CCS(=O)CC1 ZINC001601310231 1017836197 /nfs/dbraw/zinc/83/61/97/1017836197.db2.gz LVYDVMLFDFMORN-ODQZVWNJSA-N -1 0 317.363 -0.236 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)OC1CCS(=O)CC1 ZINC001601310232 1017836506 /nfs/dbraw/zinc/83/65/06/1017836506.db2.gz LVYDVMLFDFMORN-UBSKBTBESA-N -1 0 317.363 -0.236 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2CCn3cncc3C2)C1=O ZINC001601308298 1017836536 /nfs/dbraw/zinc/83/65/36/1017836536.db2.gz LBIFFETWABZGHO-PWSUYJOCSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NCCNc2ncccn2)C1=O ZINC001601310923 1017837192 /nfs/dbraw/zinc/83/71/92/1017837192.db2.gz RJQUMBUKYSBSJN-SNVBAGLBSA-N -1 0 321.337 -0.672 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NCCO[C@H]2CC2(F)F)C1=O ZINC001601310574 1017837207 /nfs/dbraw/zinc/83/72/07/1017837207.db2.gz NYCAJZBUIZNTHL-BDAKNGLRSA-N -1 0 320.292 -0.150 20 0 DBADRM O=C([O-])c1cnc(NCCNC(=O)CN2CCCCC2=O)nc1 ZINC001601314781 1017837366 /nfs/dbraw/zinc/83/73/66/1017837366.db2.gz QNGZNBOGWXTOKN-UHFFFAOYSA-N -1 0 321.337 -0.285 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NCCO[C@H]2CC2(F)F)C1=O ZINC001601310576 1017837410 /nfs/dbraw/zinc/83/74/10/1017837410.db2.gz NYCAJZBUIZNTHL-IUCAKERBSA-N -1 0 320.292 -0.150 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)Nc1n[nH]c2c1COCC2 ZINC001601311387 1017837414 /nfs/dbraw/zinc/83/74/14/1017837414.db2.gz CUHUHPKWESMXIE-QMMMGPOBSA-N -1 0 322.321 -0.256 20 0 DBADRM O=C([O-])c1cccc(COC(=O)CN2CCCS2(=O)=O)n1 ZINC001601313761 1017837489 /nfs/dbraw/zinc/83/74/89/1017837489.db2.gz SRXFGRUSCSIKQA-UHFFFAOYSA-N -1 0 314.319 -0.142 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CN1CCCNC1=O)Cc1ccncc1 ZINC001601315476 1017837595 /nfs/dbraw/zinc/83/75/95/1017837595.db2.gz LBFYSDLRRQTSLE-LBPRGKRZSA-N -1 0 320.349 -0.144 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NCCO[C@@H]2CC2(F)F)C1=O ZINC001601310575 1017837648 /nfs/dbraw/zinc/83/76/48/1017837648.db2.gz NYCAJZBUIZNTHL-DTWKUNHWSA-N -1 0 320.292 -0.150 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NCc2ccc(=O)[nH]n2)C1=O ZINC001601310379 1017837698 /nfs/dbraw/zinc/83/76/98/1017837698.db2.gz LSRDKGDKMKTOPB-VIFPVBQESA-N -1 0 308.294 -0.878 20 0 DBADRM O=C(CN1CCOC1=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001601316968 1017838229 /nfs/dbraw/zinc/83/82/29/1017838229.db2.gz ZTLNACKCPWPFQJ-VHSXEESVSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CN1CCOCC1=O)c1ccccc1 ZINC001601317138 1017838346 /nfs/dbraw/zinc/83/83/46/1017838346.db2.gz XIRRAMYZAVWGAR-GFCCVEGCSA-N -1 0 306.318 -0.170 20 0 DBADRM O=C([O-])c1sccc1NC(=O)CN1CCN(CCO)CC1 ZINC001601316036 1017838741 /nfs/dbraw/zinc/83/87/41/1017838741.db2.gz PFNMFRWBFHGDGF-UHFFFAOYSA-N -1 0 313.379 -0.005 20 0 DBADRM O=C([O-])[C@@]1(NCC(=O)NC(=O)NCc2ccccc2)CCOC1 ZINC001601324984 1017839724 /nfs/dbraw/zinc/83/97/24/1017839724.db2.gz FKXHFDCVDXJAQX-OAHLLOKOSA-N -1 0 321.333 -0.154 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)CNC(=O)c1ccncc1 ZINC001601322935 1017839745 /nfs/dbraw/zinc/83/97/45/1017839745.db2.gz GPDBVHOBFVMHIH-JTQLQIEISA-N -1 0 323.305 -0.856 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CNC(=O)OCC(F)(F)F ZINC001601322559 1017839834 /nfs/dbraw/zinc/83/98/34/1017839834.db2.gz QTDLZYFRNLFSMA-CAHLUQPWSA-N -1 0 314.216 -0.367 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2C[C@H](CO)[C@H](CO)C2)n1 ZINC001601318601 1017839911 /nfs/dbraw/zinc/83/99/11/1017839911.db2.gz ZFNNTOHOXPYGRO-AOOOYVTPSA-N -1 0 309.322 -0.749 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CNC(=O)NCc1ccc(F)cc1 ZINC001601320798 1017839945 /nfs/dbraw/zinc/83/99/45/1017839945.db2.gz HNZRYGSAHWNZNO-JTQLQIEISA-N -1 0 313.285 -0.813 20 0 DBADRM O=C([O-])c1ccc(COC(=O)CN2CCS(=O)(=O)CC2)o1 ZINC001601319757 1017839998 /nfs/dbraw/zinc/83/99/98/1017839998.db2.gz YZPFYQHMTGXQER-UHFFFAOYSA-N -1 0 317.319 -0.249 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)CNC(=O)c1ccncc1 ZINC001601322936 1017840046 /nfs/dbraw/zinc/84/00/46/1017840046.db2.gz GPDBVHOBFVMHIH-SNVBAGLBSA-N -1 0 323.305 -0.856 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CCNC(=O)CO)[C@H]2CCCC[C@@H]12 ZINC001601330373 1017840410 /nfs/dbraw/zinc/84/04/10/1017840410.db2.gz VGDYUUQLUGSFNH-SRVKXCTJSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NC1CC(CO)(CO)C1 ZINC001601340530 1017840432 /nfs/dbraw/zinc/84/04/32/1017840432.db2.gz GJBXZTYAHSJEOL-UHFFFAOYSA-N -1 0 314.294 -0.861 20 0 DBADRM O=C([O-])C1(NC(=O)CNS(=O)(=O)c2ccccc2F)CC1 ZINC001601327884 1017840631 /nfs/dbraw/zinc/84/06/31/1017840631.db2.gz YHIUNYHQHTXMRQ-UHFFFAOYSA-N -1 0 316.310 -0.163 20 0 DBADRM O=C([O-])C1(NC(=O)COCC(F)F)CCS(=O)(=O)CC1 ZINC001601337375 1017840861 /nfs/dbraw/zinc/84/08/61/1017840861.db2.gz WBKHRTOZVZOKAL-UHFFFAOYSA-N -1 0 315.294 -0.584 20 0 DBADRM O=C([O-])[C@H](CCF)NC(=O)CNS(=O)(=O)c1cccnc1 ZINC001601327474 1017840955 /nfs/dbraw/zinc/84/09/55/1017840955.db2.gz NBFQVSRBIBKVDD-VIFPVBQESA-N -1 0 319.314 -0.711 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)Cc2ccc(F)cn2)C1 ZINC001601361800 1017841763 /nfs/dbraw/zinc/84/17/63/1017841763.db2.gz MHDLWZWJRLMHNY-VXGBXAGGSA-N -1 0 321.308 -0.189 20 0 DBADRM O=C(CSCC(=O)N1CCOCC1)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001601348271 1017842053 /nfs/dbraw/zinc/84/20/53/1017842053.db2.gz HTNGURNFBAGASG-NXEZZACHSA-N -1 0 316.379 -0.585 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NCCOC(=O)C1CC1 ZINC001601340730 1017842161 /nfs/dbraw/zinc/84/21/61/1017842161.db2.gz IYPVMVHNZJDVEA-UHFFFAOYSA-N -1 0 312.278 -0.041 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NCCN1CCOCC1 ZINC001601340696 1017842193 /nfs/dbraw/zinc/84/21/93/1017842193.db2.gz IJEWJLMNMWRNSV-UHFFFAOYSA-N -1 0 313.310 -0.662 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)Cc1c[nH]cn1 ZINC001601372074 1017842488 /nfs/dbraw/zinc/84/24/88/1017842488.db2.gz IVIKRXAHNBCWNX-OIDVMBJGSA-N -1 0 306.322 -0.539 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)Cc2c[nH]cn2)CC1 ZINC001601371870 1017842572 /nfs/dbraw/zinc/84/25/72/1017842572.db2.gz CQPODZPVVBFCHU-NEPJUHHUSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001601370788 1017842657 /nfs/dbraw/zinc/84/26/57/1017842657.db2.gz CYMIBFYFUXWKLG-KLHWPWHYSA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001601650069 1017865690 /nfs/dbraw/zinc/86/56/90/1017865690.db2.gz OMVXPMHLMPDAGL-JKUQZMGJSA-N -1 0 321.248 -0.252 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCNC(=O)Cc1c[nH]cn1)C1CC1 ZINC001601372328 1017842742 /nfs/dbraw/zinc/84/27/42/1017842742.db2.gz MWTREVWHUFIVPQ-VXGBXAGGSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNC(=O)Cc1ccc(F)cn1 ZINC001601362340 1017843009 /nfs/dbraw/zinc/84/30/09/1017843009.db2.gz QAVHPHAQBSFKLV-WDEREUQCSA-N -1 0 309.297 -0.284 20 0 DBADRM O=C([O-])c1ccccc1CC(=O)NC[C@@]1(CO)COCCN1 ZINC001601367521 1017843223 /nfs/dbraw/zinc/84/32/23/1017843223.db2.gz KPZWFEFSFXKQJR-OAHLLOKOSA-N -1 0 308.334 -0.606 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2ccco2)C1 ZINC001601370732 1017843325 /nfs/dbraw/zinc/84/33/25/1017843325.db2.gz ZNPSJSSIKPRCAG-WDEREUQCSA-N -1 0 322.317 -0.768 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)Cc1nnc(C2CC2)[nH]1 ZINC001601375811 1017844117 /nfs/dbraw/zinc/84/41/17/1017844117.db2.gz ZTOVYLDSRNFLIH-VIFPVBQESA-N -1 0 304.310 -0.240 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2cnoc2)C1 ZINC001601374509 1017844186 /nfs/dbraw/zinc/84/41/86/1017844186.db2.gz YIBPBUOISXGCRH-SASUGWTJSA-N -1 0 321.333 -0.051 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001601376413 1017844438 /nfs/dbraw/zinc/84/44/38/1017844438.db2.gz SBBHKKCMFXAWCE-ZRUFSTJUSA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCCS(=O)(=O)CC2CC2)n1 ZINC001601384254 1017844821 /nfs/dbraw/zinc/84/48/21/1017844821.db2.gz DIHRJPMKKJONPI-UHFFFAOYSA-N -1 0 315.351 -0.478 20 0 DBADRM O=C([O-])c1cnn(CC(=O)OCCC2CS(=O)(=O)C2)c1 ZINC001601381078 1017844907 /nfs/dbraw/zinc/84/49/07/1017844907.db2.gz VTVPPMRVQPVTHQ-UHFFFAOYSA-N -1 0 302.308 -0.441 20 0 DBADRM O=C([O-])c1ccn(CC(=O)Nc2n[nH]cc2C(=O)NC2CC2)n1 ZINC001601384237 1017844948 /nfs/dbraw/zinc/84/49/48/1017844948.db2.gz CORIIXYCLPPYJC-UHFFFAOYSA-N -1 0 318.293 -0.165 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCCC2CS(=O)(=O)C2)n1 ZINC001601384371 1017845064 /nfs/dbraw/zinc/84/50/64/1017845064.db2.gz JNXBNDDWSPZLLC-UHFFFAOYSA-N -1 0 301.324 -0.868 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNC(=O)Cn1cc(C2CC2)cn1 ZINC001601383417 1017845093 /nfs/dbraw/zinc/84/50/93/1017845093.db2.gz GXDXOPDUIJRLFE-NEPJUHHUSA-N -1 0 320.349 -0.286 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCc2cnn3ccccc23)nn1 ZINC001601381816 1017845116 /nfs/dbraw/zinc/84/51/16/1017845116.db2.gz JXURWZIXHNQICW-UHFFFAOYSA-N -1 0 300.278 -0.060 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCc2nccn2C(F)F)nn1 ZINC001601382751 1017845154 /nfs/dbraw/zinc/84/51/54/1017845154.db2.gz GPZCGLUSGFSDRF-UHFFFAOYSA-N -1 0 314.252 -0.073 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCc2nnc3n2CCCC3)nn1 ZINC001601382869 1017845280 /nfs/dbraw/zinc/84/52/80/1017845280.db2.gz NXXBDZUISMOXCB-UHFFFAOYSA-N -1 0 319.325 -0.737 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)Cn2ccnc2)C1 ZINC001601389659 1017846016 /nfs/dbraw/zinc/84/60/16/1017846016.db2.gz XFPKAHBESBLKLW-VLEAKVRGSA-N -1 0 306.322 -0.633 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)Cn2cncn2)CCC1 ZINC001601389743 1017846117 /nfs/dbraw/zinc/84/61/17/1017846117.db2.gz SNDKIMGQXSNHOF-NXEZZACHSA-N -1 0 321.337 -0.846 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)Cn2cccn2)C1 ZINC001601389303 1017846306 /nfs/dbraw/zinc/84/63/06/1017846306.db2.gz JKJWLOVYRHWNCG-YTWAJWBKSA-N -1 0 306.322 -0.633 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)Cn3ccnc3)C2)n1 ZINC001601389159 1017846399 /nfs/dbraw/zinc/84/63/99/1017846399.db2.gz FDUIVUZCTHLGPF-SNVBAGLBSA-N -1 0 316.321 -0.234 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NC[C@H](O)c2cncs2)c1=O ZINC001601388726 1017846767 /nfs/dbraw/zinc/84/67/67/1017846767.db2.gz RGZIHEFIGSAVBZ-VIFPVBQESA-N -1 0 323.330 -0.147 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001601390803 1017847132 /nfs/dbraw/zinc/84/71/32/1017847132.db2.gz CGMYPJGMISWMDW-LLVKDONJSA-N -1 0 322.365 -0.002 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)Cn2nc3ccccn3c2=O)CCOC1 ZINC001601390557 1017847310 /nfs/dbraw/zinc/84/73/10/1017847310.db2.gz SNLNXAAEWWBDJI-AWEZNQCLSA-N -1 0 320.305 -0.897 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001601427412 1017847668 /nfs/dbraw/zinc/84/76/68/1017847668.db2.gz BUEZFDLJQVNZTF-VHSXEESVSA-N -1 0 304.310 -0.693 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1cc(I)c[nH]1 ZINC001601420822 1017847871 /nfs/dbraw/zinc/84/78/71/1017847871.db2.gz YGXPPLZSAYFATI-LURJTMIESA-N -1 0 324.074 -0.205 20 0 DBADRM O=C([O-])C1(NC(=O)[C@H]2CCc3nncn3CC2)CC(CO)C1 ZINC001601428009 1017848264 /nfs/dbraw/zinc/84/82/64/1017848264.db2.gz QQQYLUTUAKSYAB-XIRUVYRFSA-N -1 0 308.338 -0.428 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1nc2n(n1)CCCN2 ZINC001601424096 1017848370 /nfs/dbraw/zinc/84/83/70/1017848370.db2.gz OJMFMLXAPPBQDR-JTQLQIEISA-N -1 0 316.321 -0.828 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)c1cnn2ccncc12 ZINC001601426027 1017848530 /nfs/dbraw/zinc/84/85/30/1017848530.db2.gz PPAUMACKIGQYNH-SNVBAGLBSA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001601425522 1017848700 /nfs/dbraw/zinc/84/87/00/1017848700.db2.gz CKSURPLWROFIOM-QWRGUYRKSA-N -1 0 303.322 -0.088 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2cc(N3CCOCC3)ccn2)CCOC1 ZINC001601430524 1017848826 /nfs/dbraw/zinc/84/88/26/1017848826.db2.gz INSSGHWGRUHFKI-OAHLLOKOSA-N -1 0 321.333 -0.108 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2cc(N3CCOCC3)ccn2)CCOC1 ZINC001601430522 1017848895 /nfs/dbraw/zinc/84/88/95/1017848895.db2.gz INSSGHWGRUHFKI-HNNXBMFYSA-N -1 0 321.333 -0.108 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)c1 ZINC001601435005 1017849639 /nfs/dbraw/zinc/84/96/39/1017849639.db2.gz ZQRPMZYZTSCJAB-LLVKDONJSA-N -1 0 321.337 -0.356 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC001601441562 1017850171 /nfs/dbraw/zinc/85/01/71/1017850171.db2.gz LLHGRHXRHPGYFI-QJPTWQEYSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2cnn(CCF)c2)C1 ZINC001601447711 1017850394 /nfs/dbraw/zinc/85/03/94/1017850394.db2.gz JHDUQUFLZPLDRK-QWRGUYRKSA-N -1 0 324.312 -0.486 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2cnn(CCF)c2)C1 ZINC001601447708 1017850465 /nfs/dbraw/zinc/85/04/65/1017850465.db2.gz JHDUQUFLZPLDRK-MNOVXSKESA-N -1 0 324.312 -0.486 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC001601447181 1017850667 /nfs/dbraw/zinc/85/06/67/1017850667.db2.gz VVIZLBIVKCQYQS-ZYHUDNBSSA-N -1 0 324.308 -0.151 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC001601443211 1017850857 /nfs/dbraw/zinc/85/08/57/1017850857.db2.gz GYGIBQSXDHWVFB-SNVBAGLBSA-N -1 0 306.322 -0.499 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOC2)c2ccccc2O1 ZINC001601447760 1017850895 /nfs/dbraw/zinc/85/08/95/1017850895.db2.gz PRSHLEUNBUJMOV-SKDRFNHKSA-N -1 0 320.301 -0.230 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)N[C@H]2CCSC2)CC1 ZINC001601443278 1017850932 /nfs/dbraw/zinc/85/09/32/1017850932.db2.gz GKKKTQWCTSPLMF-UWVGGRQHSA-N -1 0 316.379 -0.708 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCOC1 ZINC001601452510 1017851040 /nfs/dbraw/zinc/85/10/40/1017851040.db2.gz OLOTYNBRJWTNRQ-BBBLOLIVSA-N -1 0 305.352 -0.725 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C1=CCS(=O)(=O)C1)[C@H]1CCOC1 ZINC001601451799 1017851086 /nfs/dbraw/zinc/85/10/86/1017851086.db2.gz JRQWBCXQENEXKE-WCBMZHEXSA-N -1 0 303.336 -0.805 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@@H](O)CN2CCCC2=O)cn1 ZINC001601467060 1017851467 /nfs/dbraw/zinc/85/14/67/1017851467.db2.gz XPLXXYDRVFRXJD-SNVBAGLBSA-N -1 0 307.306 -0.507 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@H](O)C2CCC2)n1 ZINC001601466330 1017851725 /nfs/dbraw/zinc/85/17/25/1017851725.db2.gz JYEWRYSYGVCTRW-JTQLQIEISA-N -1 0 307.306 -0.005 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)CNC(=O)c1ccncc1 ZINC001601449954 1017851741 /nfs/dbraw/zinc/85/17/41/1017851741.db2.gz RZXMSXYJROJEDZ-PWSUYJOCSA-N -1 0 307.306 -0.752 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2cnccn2)CC1 ZINC001601476200 1017852358 /nfs/dbraw/zinc/85/23/58/1017852358.db2.gz MRQSNLNSCDPPPD-IUCAKERBSA-N -1 0 304.306 -0.424 20 0 DBADRM O=C([O-])C1(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CCCCC1 ZINC001601472866 1017852791 /nfs/dbraw/zinc/85/27/91/1017852791.db2.gz NOOKUTKNCVQEDT-IJLUTSLNSA-N -1 0 313.350 -0.450 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2ccncn2)CCC1 ZINC001601475436 1017853052 /nfs/dbraw/zinc/85/30/52/1017853052.db2.gz CSCHPOXAOXCVTE-UWVGGRQHSA-N -1 0 318.333 -0.034 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC=C(CNC(=O)c2cn[nH]n2)CC1 ZINC001601478224 1017853380 /nfs/dbraw/zinc/85/33/80/1017853380.db2.gz QNHPFSGHYYHUQK-VHSXEESVSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001601478947 1017853399 /nfs/dbraw/zinc/85/33/99/1017853399.db2.gz FNEKLEXOZNRJOD-GUBZILKMSA-N -1 0 323.349 -0.907 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)C2CCCC2)C1 ZINC001601477854 1017853819 /nfs/dbraw/zinc/85/38/19/1017853819.db2.gz QLOWZBMSZPVMDZ-GHMZBOCLSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)C(=O)NC[C@@H]3CCCO3)[C@@H]2C1 ZINC001601484834 1017853855 /nfs/dbraw/zinc/85/38/55/1017853855.db2.gz SZDQSDIJEMDEGO-ZIQFBCGOSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)C(=O)NC[C@@H]3CCOC3)[C@@H]2C1 ZINC001601485075 1017853870 /nfs/dbraw/zinc/85/38/70/1017853870.db2.gz BNUZLUFNXGVBJS-KQSJRHEJSA-N -1 0 310.350 -0.245 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)C2=CCCC2)C1 ZINC001601478089 1017853904 /nfs/dbraw/zinc/85/39/04/1017853904.db2.gz TUTUWJKWLYCKAI-MNOVXSKESA-N -1 0 308.334 -0.493 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@]2(OCCO)CCOC2)C1 ZINC001601477779 1017854084 /nfs/dbraw/zinc/85/40/84/1017854084.db2.gz MMWVZRRKWSTZTF-UHIISALHSA-N -1 0 316.354 -0.293 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC001601481182 1017854122 /nfs/dbraw/zinc/85/41/22/1017854122.db2.gz YYIMMCKUQKLEFK-GUBZILKMSA-N -1 0 302.302 -0.401 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC=CCNC(=O)c1ccc(=O)[nH]n1 ZINC001601490480 1017854413 /nfs/dbraw/zinc/85/44/13/1017854413.db2.gz CFFCQJNDNSRQCT-ABKJGRNXSA-N -1 0 320.305 -0.695 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001601487937 1017854510 /nfs/dbraw/zinc/85/45/10/1017854510.db2.gz KQAONVMJDWUKFU-GHMZBOCLSA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001601489917 1017854570 /nfs/dbraw/zinc/85/45/70/1017854570.db2.gz VGVFKRDWNBRRRJ-LDMBFOFVSA-N -1 0 314.338 -0.421 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)CCNC(=O)c1ccco1 ZINC001601490497 1017854579 /nfs/dbraw/zinc/85/45/79/1017854579.db2.gz CHYOBEQNDVIZJY-SKDRFNHKSA-N -1 0 310.306 -0.164 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC2SCCS2)CCO1 ZINC001601489236 1017854762 /nfs/dbraw/zinc/85/47/62/1017854762.db2.gz LRHCXPMQZVPFGT-ZETCQYMHSA-N -1 0 320.392 -0.779 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)CCNC(=O)c1ccco1 ZINC001601490496 1017855185 /nfs/dbraw/zinc/85/51/85/1017855185.db2.gz CHYOBEQNDVIZJY-JOYOIKCWSA-N -1 0 310.306 -0.164 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC=CCNC(=O)c1ccc(=O)[nH]n1 ZINC001601490485 1017855225 /nfs/dbraw/zinc/85/52/25/1017855225.db2.gz CFFCQJNDNSRQCT-WDESOFOKSA-N -1 0 320.305 -0.695 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(CCNC(=O)C2CC2)CC1 ZINC001601502321 1017855446 /nfs/dbraw/zinc/85/54/46/1017855446.db2.gz DEHMXCPCZWQLRY-STQMWFEESA-N -1 0 323.393 -0.232 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCCNC(=O)c1cccc(=O)[nH]1 ZINC001601498710 1017855476 /nfs/dbraw/zinc/85/54/76/1017855476.db2.gz HOSDEPWMOKRNPJ-IUCAKERBSA-N -1 0 307.306 -0.256 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCCCN1CCOC1=O ZINC001601498569 1017855503 /nfs/dbraw/zinc/85/55/03/1017855503.db2.gz ABDWLAXHJAVNRT-NXEZZACHSA-N -1 0 315.326 -0.382 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(CCNC(=O)C2CC2)CC1 ZINC001601502318 1017856160 /nfs/dbraw/zinc/85/61/60/1017856160.db2.gz DEHMXCPCZWQLRY-CHWSQXEVSA-N -1 0 323.393 -0.232 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NCCCOCCO ZINC001601499900 1017856244 /nfs/dbraw/zinc/85/62/44/1017856244.db2.gz HBDNPTWJAZWBJF-UHFFFAOYSA-N -1 0 310.306 -0.162 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCCN2CCCC2=O)n1 ZINC001601502271 1017856265 /nfs/dbraw/zinc/85/62/65/1017856265.db2.gz AKLJJWBLISJMSQ-UHFFFAOYSA-N -1 0 320.305 -0.543 20 0 DBADRM O=C([O-])c1cncc(NC(=O)NCCCN2C(=O)CNC2=O)c1 ZINC001601497896 1017856387 /nfs/dbraw/zinc/85/63/87/1017856387.db2.gz FLLKHERPBYBFPU-UHFFFAOYSA-N -1 0 321.293 -0.157 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCCNC(=O)c1cc2n(n1)CCO2 ZINC001601498686 1017856395 /nfs/dbraw/zinc/85/63/95/1017856395.db2.gz GQHFULGGIGCSHE-IUCAKERBSA-N -1 0 322.321 -0.768 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1ncnc2[nH]ccc21 ZINC001601504668 1017856571 /nfs/dbraw/zinc/85/65/71/1017856571.db2.gz YPQGMBPDEJUWPO-RKDXNWHRSA-N -1 0 317.305 -0.524 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)NCCN1CCC2(C1)OCCO2 ZINC001601502740 1017856772 /nfs/dbraw/zinc/85/67/72/1017856772.db2.gz RQZWWYJJSAXQCK-VIFPVBQESA-N -1 0 305.306 -0.843 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1cn(CC2CC2)nn1 ZINC001601503052 1017856784 /nfs/dbraw/zinc/85/67/84/1017856784.db2.gz FAWBURZDYXBAIV-VHSXEESVSA-N -1 0 321.337 -0.745 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCNC(=O)c2ccco2)CC1 ZINC001601504515 1017856844 /nfs/dbraw/zinc/85/68/44/1017856844.db2.gz XAEVXWCADYXTSB-UHFFFAOYSA-N -1 0 316.335 -0.206 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCCOC[C@@H]1CCCO1 ZINC001601505155 1017856988 /nfs/dbraw/zinc/85/69/88/1017856988.db2.gz COIUMXFKSAWJJT-GRYCIOLGSA-N -1 0 316.354 -0.029 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCOC[C@@H]2CCOC2)C1 ZINC001601505133 1017857112 /nfs/dbraw/zinc/85/71/12/1017857112.db2.gz BIHBOZYNUOOWQO-MNOVXSKESA-N -1 0 314.338 -0.911 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1cnc2n1CCC2 ZINC001601503937 1017857329 /nfs/dbraw/zinc/85/73/29/1017857329.db2.gz OGSPANMPKUZOGX-DTWKUNHWSA-N -1 0 306.322 -0.604 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)NCCO[C@@H]2CCOC2)CC1 ZINC001601503027 1017857340 /nfs/dbraw/zinc/85/73/40/1017857340.db2.gz FPALPQQLAXGXKM-LLVKDONJSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNC(=O)c1c[nH]nc1C1CC1 ZINC001601502937 1017857395 /nfs/dbraw/zinc/85/73/95/1017857395.db2.gz DRHWLDBUWSFIIO-IUCAKERBSA-N -1 0 306.322 -0.146 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)Nc2nc3ccccn3n2)nn1 ZINC001601516762 1017857857 /nfs/dbraw/zinc/85/78/57/1017857857.db2.gz IORCMLUWNIVVCZ-UHFFFAOYSA-N -1 0 316.281 -0.159 20 0 DBADRM O=C([O-])c1cnc(CCNC(=O)C2=CCS(=O)(=O)C2)s1 ZINC001601514798 1017857943 /nfs/dbraw/zinc/85/79/43/1017857943.db2.gz NJCLLTSNWAEHIJ-UHFFFAOYSA-N -1 0 316.360 -0.145 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCCc2ccoc2)C1 ZINC001601513576 1017858026 /nfs/dbraw/zinc/85/80/26/1017858026.db2.gz SYEIYGFOVNDTMV-GHMZBOCLSA-N -1 0 310.306 -0.768 20 0 DBADRM O=C([O-])c1ccc(OCCNC(=O)N[C@H]2CCNC2=O)cc1 ZINC001601507081 1017858139 /nfs/dbraw/zinc/85/81/39/1017858139.db2.gz XZTKNPBBXAYONS-NSHDSACASA-N -1 0 307.306 -0.049 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCCS(=O)(=O)C1CC1 ZINC001601505978 1017858171 /nfs/dbraw/zinc/85/81/71/1017858171.db2.gz CDMMLWHICLJTSB-PSASIEDQSA-N -1 0 320.367 -0.648 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCCc2ccoc2)C1 ZINC001601513579 1017858293 /nfs/dbraw/zinc/85/82/93/1017858293.db2.gz SYEIYGFOVNDTMV-WDEREUQCSA-N -1 0 310.306 -0.768 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@H]2C[C@H](O)C23CCC3)nn1 ZINC001601517436 1017858559 /nfs/dbraw/zinc/85/85/59/1017858559.db2.gz JSXGVKWAGSMSLC-UWVGGRQHSA-N -1 0 309.326 -0.421 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001601520145 1017858782 /nfs/dbraw/zinc/85/87/82/1017858782.db2.gz NKEDEPSGHUYONP-JKUQZMGJSA-N -1 0 321.248 -0.252 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC001601520986 1017859422 /nfs/dbraw/zinc/85/94/22/1017859422.db2.gz RNOFGJHIRJTOBB-RYUDHWBXSA-N -1 0 324.308 -0.217 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)NC[C@H]2CCCS(=O)(=O)C2)C1 ZINC001601823881 1017887346 /nfs/dbraw/zinc/88/73/46/1017887346.db2.gz LQBYDHYZCBZTJB-ZJUUUORDSA-N -1 0 304.368 -0.073 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001601523621 1017859730 /nfs/dbraw/zinc/85/97/30/1017859730.db2.gz HMYUIFWERVIJPT-NEPJUHHUSA-N -1 0 321.333 -0.505 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2ccncn2)C1 ZINC001601525161 1017859788 /nfs/dbraw/zinc/85/97/88/1017859788.db2.gz DOIFYOXFYVEDQL-LMLFDSFASA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001601525091 1017859869 /nfs/dbraw/zinc/85/98/69/1017859869.db2.gz HEGOGMGORGJBBY-GRYCIOLGSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC001601526700 1017859963 /nfs/dbraw/zinc/85/99/63/1017859963.db2.gz HSJFNDPRWNMRCM-XDMRBOTDSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2ccncn2)C1 ZINC001601525165 1017859989 /nfs/dbraw/zinc/85/99/89/1017859989.db2.gz DOIFYOXFYVEDQL-YTWAJWBKSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H](F)C1 ZINC001601523026 1017860304 /nfs/dbraw/zinc/86/03/04/1017860304.db2.gz SUFJETPGOFCGJR-VPOLOUISSA-N -1 0 316.329 -0.011 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1cc(Br)c[nH]c1=O ZINC001601524468 1017860381 /nfs/dbraw/zinc/86/03/81/1017860381.db2.gz UHFNNGCHOYQTJE-LURJTMIESA-N -1 0 305.084 -0.275 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)c2cnns2)C1 ZINC001601526430 1017860579 /nfs/dbraw/zinc/86/05/79/1017860579.db2.gz AHFGRWCLQSGTAH-XSPKLOCKSA-N -1 0 324.362 -0.117 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2cncnc2)C1 ZINC001601525138 1017860668 /nfs/dbraw/zinc/86/06/68/1017860668.db2.gz CXKZESNWFKYWGR-IELRGYKMSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])c1nc(CNC(=O)N[C@@H]2COC[C@@H]2O)ccc1Cl ZINC001601540056 1017860924 /nfs/dbraw/zinc/86/09/24/1017860924.db2.gz UHAJOCWZJJNWHJ-BDAKNGLRSA-N -1 0 315.713 -0.008 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)NCc2ccccn2)CC1 ZINC001601544759 1017860945 /nfs/dbraw/zinc/86/09/45/1017860945.db2.gz ZZDNTWIOVXRJRI-GFCCVEGCSA-N -1 0 321.333 -0.618 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCc2ccccc2)C1 ZINC001601542775 1017861067 /nfs/dbraw/zinc/86/10/67/1017861067.db2.gz QAMXEONZHSOTOM-VXGBXAGGSA-N -1 0 306.318 -0.403 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NCc2cscn2)C1 ZINC001601548361 1017861075 /nfs/dbraw/zinc/86/10/75/1017861075.db2.gz BAENKAXJXYPRRK-CBAPKCEASA-N -1 0 313.335 -0.947 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)NCc2ccoc2)CC1 ZINC001601547029 1017861312 /nfs/dbraw/zinc/86/13/12/1017861312.db2.gz RDGMWYNZILYEKL-NSHDSACASA-N -1 0 310.306 -0.420 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C(=O)NCc3ccoc3)C[C@H]1COCC2 ZINC001601546961 1017861681 /nfs/dbraw/zinc/86/16/81/1017861681.db2.gz OVTPGZQCOGUMDA-XHDPSFHLSA-N -1 0 322.317 -0.155 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)C1 ZINC001601549710 1017861898 /nfs/dbraw/zinc/86/18/98/1017861898.db2.gz SNZCFRWUZHTGQT-UHFFFAOYSA-N -1 0 309.204 -0.836 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1(n3cnnn3)CCOCC1)C2 ZINC001601573930 1017862164 /nfs/dbraw/zinc/86/21/64/1017862164.db2.gz CPBCMDYJLZJUBM-NRUUGDAUSA-N -1 0 321.337 -0.452 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)C2CCOCC2)C1 ZINC001601573853 1017862210 /nfs/dbraw/zinc/86/22/10/1017862210.db2.gz MURPANDKBLPKSM-USZNOCQGSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1ccn(CCn2cccn2)n1 ZINC001601570359 1017862280 /nfs/dbraw/zinc/86/22/80/1017862280.db2.gz NXTGJDXBGCVLAL-CMPLNLGQSA-N -1 0 319.321 -0.248 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)c2nnc[nH]2)CC1 ZINC001601571002 1017862321 /nfs/dbraw/zinc/86/23/21/1017862321.db2.gz UTNRGPISKIKGNM-KYXWUPHJSA-N -1 0 321.337 -0.317 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2cnsn2)C1 ZINC001601573643 1017862595 /nfs/dbraw/zinc/86/25/95/1017862595.db2.gz IFYFHBDDIJGQSD-XAVMHZPKSA-N -1 0 324.362 -0.117 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)N1CC[C@](O)(C3CC3)C1)C2 ZINC001601573313 1017862864 /nfs/dbraw/zinc/86/28/64/1017862864.db2.gz FOHGHHVFTQMIBX-LZJQFABFSA-N -1 0 322.361 -0.271 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)C2=COCCO2)C1 ZINC001601573183 1017862904 /nfs/dbraw/zinc/86/29/04/1017862904.db2.gz CTMVGOXKHUFFNV-RGOKHQFPSA-N -1 0 310.306 -0.641 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccnnc2)C1 ZINC001601574449 1017863180 /nfs/dbraw/zinc/86/31/80/1017863180.db2.gz VRGBKEQLZJKTSH-VLEAKVRGSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccnnc2)C1 ZINC001601574450 1017863185 /nfs/dbraw/zinc/86/31/85/1017863185.db2.gz VRGBKEQLZJKTSH-YTWAJWBKSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]3CC[C@@H]1O3)C2 ZINC001601574653 1017863220 /nfs/dbraw/zinc/86/32/20/1017863220.db2.gz SIXPIXHCTDIVNE-KKABHBKSSA-N -1 0 308.334 -0.208 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ncccc2O)C1 ZINC001601574696 1017863227 /nfs/dbraw/zinc/86/32/27/1017863227.db2.gz YNHXMYKJPCHWNE-QCLAVDOMSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1c(F)cccc1F ZINC001601580412 1017863554 /nfs/dbraw/zinc/86/35/54/1017863554.db2.gz SGFURXVBFOAKJX-MUWHJKNJSA-N -1 0 314.244 -0.050 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC001601594727 1017863785 /nfs/dbraw/zinc/86/37/85/1017863785.db2.gz WIMBCEKALHATMF-CYBMUJFWSA-N -1 0 318.293 -0.284 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)C(=O)N(CCO)C3CCC3)[C@@H]2C1 ZINC001601578916 1017863929 /nfs/dbraw/zinc/86/39/29/1017863929.db2.gz YYXZLHCMUPLWAI-WFFHOREQSA-N -1 0 324.377 -0.025 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC001601594728 1017863962 /nfs/dbraw/zinc/86/39/62/1017863962.db2.gz WIMBCEKALHATMF-ZDUSSCGKSA-N -1 0 318.293 -0.284 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cc3n(n2)CCCC3)CCO1 ZINC001601594469 1017864133 /nfs/dbraw/zinc/86/41/33/1017864133.db2.gz VOIJBVISLKZPIT-SNVBAGLBSA-N -1 0 322.321 -0.530 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)C(=O)N3CC[C@@]34CCOC4)[C@@H]2C1 ZINC001601578727 1017864308 /nfs/dbraw/zinc/86/43/08/1017864308.db2.gz XVBFBFCRDTXCDK-XMQPUEPBSA-N -1 0 322.361 -0.007 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)C(=O)N3CC[C@@]34CCOC4)[C@@H]2C1 ZINC001601578712 1017864411 /nfs/dbraw/zinc/86/44/11/1017864411.db2.gz XVBFBFCRDTXCDK-DZUFCKETSA-N -1 0 322.361 -0.007 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(F)nc1 ZINC001601606731 1017864630 /nfs/dbraw/zinc/86/46/30/1017864630.db2.gz RJVAEOAGBYFZGI-WCBMZHEXSA-N -1 0 311.269 -0.404 20 0 DBADRM O=C([O-])[C@H](CNS(=O)(=O)CCn1cccn1)[C@H]1CCOC1 ZINC001601654234 1017865055 /nfs/dbraw/zinc/86/50/55/1017865055.db2.gz ZNWJVKRWFGYMGG-WDEREUQCSA-N -1 0 317.367 -0.460 20 0 DBADRM O=C([O-])[C@H](CCF)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001601645422 1017865157 /nfs/dbraw/zinc/86/51/57/1017865157.db2.gz RFRDWXBXVCFARH-WOPDTQHZSA-N -1 0 318.345 -0.205 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NS(=O)(=O)C[C@@H]1CCCOC1 ZINC001601645115 1017865160 /nfs/dbraw/zinc/86/51/60/1017865160.db2.gz LAXPRLOFMBJGPJ-NXEZZACHSA-N -1 0 323.367 -0.451 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)C1(CO)CCOCC1 ZINC001601645751 1017865199 /nfs/dbraw/zinc/86/51/99/1017865199.db2.gz OPOLTUUMZQBGKH-SNVBAGLBSA-N -1 0 317.338 -0.502 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)[C@@H]1CCCC12OCCO2 ZINC001601643749 1017865346 /nfs/dbraw/zinc/86/53/46/1017865346.db2.gz FFZJIMREGIBADS-VHSXEESVSA-N -1 0 315.322 -0.138 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NS(=O)(=O)CC[C@@H]1CCCO1 ZINC001601643148 1017865557 /nfs/dbraw/zinc/86/55/57/1017865557.db2.gz BLTGVZKEZCRELM-VHSXEESVSA-N -1 0 323.367 -0.309 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCCC12OCCO2 ZINC001601662220 1017866161 /nfs/dbraw/zinc/86/61/61/1017866161.db2.gz HGMZTHRKAXHACZ-WDEREUQCSA-N -1 0 309.322 -0.004 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)N2CC[C@H](CF)C2)CC1 ZINC001601680735 1017866250 /nfs/dbraw/zinc/86/62/50/1017866250.db2.gz LPVCYRKJFASQON-MWLCHTKSSA-N -1 0 316.329 -0.512 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)COCc2cc[nH]c(=O)c2)CC1 ZINC001601681012 1017866269 /nfs/dbraw/zinc/86/62/69/1017866269.db2.gz AJUULFOKFRHBKC-CQSZACIVSA-N -1 0 324.333 -0.012 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001601682043 1017866279 /nfs/dbraw/zinc/86/62/79/1017866279.db2.gz SFUYMEXJMIXRPS-UWVGGRQHSA-N -1 0 320.367 -0.959 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCCC12OCCO2 ZINC001601662217 1017866940 /nfs/dbraw/zinc/86/69/40/1017866940.db2.gz HGMZTHRKAXHACZ-QWRGUYRKSA-N -1 0 309.322 -0.004 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)c2cccn3nnnc23)CC1 ZINC001601684594 1017867305 /nfs/dbraw/zinc/86/73/05/1017867305.db2.gz ZGBBTTJXRQZYIE-SNVBAGLBSA-N -1 0 305.294 -0.578 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)CCn2ccccc2=O)CC1 ZINC001601683127 1017867359 /nfs/dbraw/zinc/86/73/59/1017867359.db2.gz NXZDIZLCQCPPPJ-CQSZACIVSA-N -1 0 308.334 -0.078 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCO[C@@H]3COCC[C@@H]32)CC1 ZINC001601711200 1017867887 /nfs/dbraw/zinc/86/78/87/1017867887.db2.gz FOLYKLCMXQTUMH-VHSXEESVSA-N -1 0 305.352 -0.329 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)CC1 ZINC001601682466 1017868052 /nfs/dbraw/zinc/86/80/52/1017868052.db2.gz HTWHEGSVWUYCSH-SNVBAGLBSA-N -1 0 320.305 -0.039 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001601686238 1017868084 /nfs/dbraw/zinc/86/80/84/1017868084.db2.gz ZBSBSSVYDHZWLO-ZDEQEGDKSA-N -1 0 313.350 -0.278 20 0 DBADRM O=C([O-])[C@]1(N2CCN(c3nnnn3C3CCC3)CC2)CCOC1 ZINC001601718382 1017868398 /nfs/dbraw/zinc/86/83/98/1017868398.db2.gz ACQMKYJUGPMUAB-AWEZNQCLSA-N -1 0 322.369 -0.236 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCC2(CO)COC2)CCCC1 ZINC001601714928 1017868434 /nfs/dbraw/zinc/86/84/34/1017868434.db2.gz IQOXVTAZRVIFPG-UHFFFAOYSA-N -1 0 307.368 -0.440 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC001601714184 1017868687 /nfs/dbraw/zinc/86/86/87/1017868687.db2.gz CIJYADRUHSNBSW-LLVKDONJSA-N -1 0 320.411 -0.383 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCC(O)(CO)CC2)CCC1 ZINC001601712677 1017869202 /nfs/dbraw/zinc/86/92/02/1017869202.db2.gz ZVZIJMYUBQQHSH-UHFFFAOYSA-N -1 0 307.368 -0.610 20 0 DBADRM O=C([O-])[C@]1(O)CCN(c2nnnn2CCc2ccccc2)C1 ZINC001601722904 1017869882 /nfs/dbraw/zinc/86/98/82/1017869882.db2.gz MTFAMGSREDRFND-AWEZNQCLSA-N -1 0 303.322 -0.058 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC001601726543 1017869905 /nfs/dbraw/zinc/86/99/05/1017869905.db2.gz RLNXEUJRZRMPQI-VHSXEESVSA-N -1 0 305.352 -0.595 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC001601726544 1017870120 /nfs/dbraw/zinc/87/01/20/1017870120.db2.gz RLNXEUJRZRMPQI-ZJUUUORDSA-N -1 0 305.352 -0.595 20 0 DBADRM O=C([O-])C1(c2ccc(S(=O)(=O)N[C@H]3CNOC3)cc2)CC1 ZINC001601726935 1017870143 /nfs/dbraw/zinc/87/01/43/1017870143.db2.gz OTHLMHMUSPVUGG-JTQLQIEISA-N -1 0 312.347 -0.016 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CCOC[C@H]2C2CC2)C1 ZINC001601737919 1017871039 /nfs/dbraw/zinc/87/10/39/1017871039.db2.gz WHGAVUJYPNOWQU-NEPJUHHUSA-N -1 0 308.334 -0.087 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC001601736899 1017871086 /nfs/dbraw/zinc/87/10/86/1017871086.db2.gz MCALTDJKTCOEDG-XHNCKOQMSA-N -1 0 300.261 -0.001 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC001601736656 1017871277 /nfs/dbraw/zinc/87/12/77/1017871277.db2.gz INTJGJXCVFXFFS-QCNOEVLYSA-N -1 0 308.334 -0.495 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC001601737920 1017871585 /nfs/dbraw/zinc/87/15/85/1017871585.db2.gz WHGAVUJYPNOWQU-NWDGAFQWSA-N -1 0 308.334 -0.087 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CC[C@@H](CCCO)C2)C1 ZINC001601736002 1017871666 /nfs/dbraw/zinc/87/16/66/1017871666.db2.gz DVDXPFAANGUBJG-ZYHUDNBSSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)NCC(=O)N3CCCC3)C2)C1 ZINC001601745167 1017871821 /nfs/dbraw/zinc/87/18/21/1017871821.db2.gz LYBIOSHUHOAWOS-AWEZNQCLSA-N -1 0 324.337 -0.376 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(c1nccn3nnnc13)CC2 ZINC001601751369 1017871951 /nfs/dbraw/zinc/87/19/51/1017871951.db2.gz PPCWYTNPXQECGL-UHFFFAOYSA-N -1 0 303.282 -0.281 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(S(=O)(=O)N1CCC1)CC2 ZINC001601745430 1017872228 /nfs/dbraw/zinc/87/22/28/1017872228.db2.gz YJBVEZQCRHVSPR-UHFFFAOYSA-N -1 0 303.340 -0.368 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1S(=O)(=O)CC[C@@H]1CCOC1 ZINC001601749619 1017872271 /nfs/dbraw/zinc/87/22/71/1017872271.db2.gz BSBPHKBWPNQWRZ-AXFHLTTASA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)c3cc4n(n3)CCO4)C2)C1 ZINC001601741666 1017872302 /nfs/dbraw/zinc/87/23/02/1017872302.db2.gz APFDVVLJQHFWGR-CYBMUJFWSA-N -1 0 306.278 -0.279 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1S(=O)(=O)CCOCC1CC1 ZINC001601751645 1017872628 /nfs/dbraw/zinc/87/26/28/1017872628.db2.gz IBCVWUKOJXRAKF-MNOVXSKESA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001601757527 1017873051 /nfs/dbraw/zinc/87/30/51/1017873051.db2.gz HCKALLCMXNOEQP-RKDXNWHRSA-N -1 0 306.278 -0.286 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001601758149 1017873380 /nfs/dbraw/zinc/87/33/80/1017873380.db2.gz MCUIDCGBEZLZJD-SCZZXKLOSA-N -1 0 306.278 -0.515 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1Cc1cn(C[C@H]2CCOC2)nn1 ZINC001601757803 1017873467 /nfs/dbraw/zinc/87/34/67/1017873467.db2.gz XXSPOARJBIXHAG-WXHSDQCUSA-N -1 0 310.354 -0.276 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCCO[C@H]2CCOC2)C1 ZINC001601763235 1017874241 /nfs/dbraw/zinc/87/42/41/1017874241.db2.gz OPXKAGODAAJVRX-MXWKQRLJSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC23CCCC3)C1 ZINC001601760598 1017874352 /nfs/dbraw/zinc/87/43/52/1017874352.db2.gz QJYJAVPAFPAXAF-QWRGUYRKSA-N -1 0 310.350 -0.175 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001601764537 1017874363 /nfs/dbraw/zinc/87/43/63/1017874363.db2.gz HYLCOORZHOKMPI-YUSALJHKSA-N -1 0 305.334 -0.125 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)C2CCSCC2)C1 ZINC001601761075 1017874780 /nfs/dbraw/zinc/87/47/80/1017874780.db2.gz ZZRMCLBTQBLDNZ-UWVGGRQHSA-N -1 0 301.364 -0.007 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCCOC[C@@H]2CCCO2)C1 ZINC001601764794 1017874841 /nfs/dbraw/zinc/87/48/41/1017874841.db2.gz UTTQZEVEZCYWLZ-WOPDTQHZSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCc2nnc(C3CC3)[nH]2)C1 ZINC001601764950 1017875100 /nfs/dbraw/zinc/87/51/00/1017875100.db2.gz QYXQRAZUOOUEFY-BDAKNGLRSA-N -1 0 309.326 -0.341 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCCOC[C@H]2CCCO2)C1 ZINC001601764790 1017875132 /nfs/dbraw/zinc/87/51/32/1017875132.db2.gz UTTQZEVEZCYWLZ-IJLUTSLNSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001601765910 1017875392 /nfs/dbraw/zinc/87/53/92/1017875392.db2.gz AQACMDLEUXDNCH-MNOVXSKESA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001601765963 1017875708 /nfs/dbraw/zinc/87/57/08/1017875708.db2.gz ATMKIWHQFLVSNP-MWLCHTKSSA-N -1 0 324.337 -0.463 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001601765238 1017875762 /nfs/dbraw/zinc/87/57/62/1017875762.db2.gz WVVIAJJVBLRWKO-MXWKQRLJSA-N -1 0 308.338 -0.256 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(CCn2cnc(Br)n2)C1 ZINC001601766648 1017875987 /nfs/dbraw/zinc/87/59/87/1017875987.db2.gz COZODSFZUDUDAO-JGVFFNPUSA-N -1 0 319.159 -0.192 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001601769344 1017876740 /nfs/dbraw/zinc/87/67/40/1017876740.db2.gz ZCGMEEDEWOEZAS-BBBLOLIVSA-N -1 0 322.308 -0.754 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(S(=O)(=O)C[C@@H]2CCCCO2)C1 ZINC001601769710 1017876805 /nfs/dbraw/zinc/87/68/05/1017876805.db2.gz PQEWKUAHWWRISA-VWYCJHECSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(c2cnc(N3CCCC3=O)cn2)C1 ZINC001601769723 1017877063 /nfs/dbraw/zinc/87/70/63/1017877063.db2.gz PVVWZUCMZDPHBC-UWVGGRQHSA-N -1 0 306.322 -0.125 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(S(=O)(=O)C[C@H]2CCCCO2)C1 ZINC001601769708 1017877129 /nfs/dbraw/zinc/87/71/29/1017877129.db2.gz PQEWKUAHWWRISA-OUAUKWLOSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001601769346 1017877347 /nfs/dbraw/zinc/87/73/47/1017877347.db2.gz ZCGMEEDEWOEZAS-KXUCPTDWSA-N -1 0 322.308 -0.754 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(c2cnc(N3CCCC3=O)cn2)C1 ZINC001601769727 1017877559 /nfs/dbraw/zinc/87/75/59/1017877559.db2.gz PVVWZUCMZDPHBC-ZJUUUORDSA-N -1 0 306.322 -0.125 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)Cn2cncn2)CC1 ZINC001601777143 1017877729 /nfs/dbraw/zinc/87/77/29/1017877729.db2.gz GBLXOSNHHXIIMA-QWRGUYRKSA-N -1 0 321.337 -0.940 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2cncc(F)c2)C1 ZINC001601776700 1017877838 /nfs/dbraw/zinc/87/78/38/1017877838.db2.gz BFNOSWBOYYLAFZ-NWDGAFQWSA-N -1 0 323.324 -0.396 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)Cn2cncn2)CC1 ZINC001601777144 1017877936 /nfs/dbraw/zinc/87/79/36/1017877936.db2.gz GBLXOSNHHXIIMA-WDEREUQCSA-N -1 0 321.337 -0.940 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)COC2CCCC2)C1 ZINC001601776790 1017878052 /nfs/dbraw/zinc/87/80/52/1017878052.db2.gz CGQMBVAIQNJFFQ-VXGBXAGGSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001601776147 1017878088 /nfs/dbraw/zinc/87/80/88/1017878088.db2.gz UCDLJQHCCBSJGL-FHUSYTEZSA-N -1 0 322.361 -0.293 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNCc1cn(CC2CC2)nn1 ZINC001601777486 1017878948 /nfs/dbraw/zinc/87/89/48/1017878948.db2.gz DRRXLDJZUATGJZ-VXGBXAGGSA-N -1 0 307.354 -0.385 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnsn3)C[C@H]21 ZINC001601778312 1017878980 /nfs/dbraw/zinc/87/89/80/1017878980.db2.gz BUTCKAXIJIRAFE-UFNQKSLJSA-N -1 0 322.346 -0.555 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CN(CC2CC(F)(F)C2)C1 ZINC001601777390 1017879343 /nfs/dbraw/zinc/87/93/43/1017879343.db2.gz FIVWHADGNBACGH-NXEZZACHSA-N -1 0 318.320 -0.085 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2cccnc2)C1 ZINC001601780023 1017880577 /nfs/dbraw/zinc/88/05/77/1017880577.db2.gz KOLFHEDCRNCMTR-NWDGAFQWSA-N -1 0 303.318 -0.010 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCN(C(=O)c1ncccn1)C1CC1 ZINC001601779313 1017880647 /nfs/dbraw/zinc/88/06/47/1017880647.db2.gz IQBKUPZUEYJHSA-MNOVXSKESA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001601779110 1017880652 /nfs/dbraw/zinc/88/06/52/1017880652.db2.gz NRVOICKQJBELDF-ZGPXQOGOSA-N -1 0 320.345 -0.828 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2cncs2)C1 ZINC001601778958 1017880918 /nfs/dbraw/zinc/88/09/18/1017880918.db2.gz JVHBHAXBCSCGPA-NXEZZACHSA-N -1 0 311.363 -0.473 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)C2CCCC2)C1 ZINC001601781542 1017881766 /nfs/dbraw/zinc/88/17/66/1017881766.db2.gz SPYZJQBVWOHFLH-MNOVXSKESA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2ccnnc2)C1 ZINC001601781265 1017881869 /nfs/dbraw/zinc/88/18/69/1017881869.db2.gz OJYRUEVRSWLGRY-GHMZBOCLSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(O)CN(CCOCC(F)F)C1 ZINC001601780205 1017882041 /nfs/dbraw/zinc/88/20/41/1017882041.db2.gz OHNCZXQQWFKNDV-BDAKNGLRSA-N -1 0 322.308 -0.848 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(O)CN(CCOCC(F)F)C1 ZINC001601780208 1017882169 /nfs/dbraw/zinc/88/21/69/1017882169.db2.gz OHNCZXQQWFKNDV-IUCAKERBSA-N -1 0 322.308 -0.848 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001601783058 1017882539 /nfs/dbraw/zinc/88/25/39/1017882539.db2.gz VUPUVOWJRYLMND-UWVGGRQHSA-N -1 0 321.337 -0.825 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001601783063 1017882909 /nfs/dbraw/zinc/88/29/09/1017882909.db2.gz VUPUVOWJRYLMND-VHSXEESVSA-N -1 0 321.337 -0.825 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001601783054 1017883150 /nfs/dbraw/zinc/88/31/50/1017883150.db2.gz VUPUVOWJRYLMND-NXEZZACHSA-N -1 0 321.337 -0.825 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2ncccc2O)C1 ZINC001601781717 1017883157 /nfs/dbraw/zinc/88/31/57/1017883157.db2.gz STDFZIJVHQLOKT-BDAKNGLRSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc3nnnn3n2)C1 ZINC001601783422 1017883370 /nfs/dbraw/zinc/88/33/70/1017883370.db2.gz TVJXGFOQXMPBKG-KZVJFYERSA-N -1 0 317.309 -0.701 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]2C(=O)N(CCO[C@@H]3CCOC3)C(=O)N2C1 ZINC001601798868 1017883745 /nfs/dbraw/zinc/88/37/45/1017883745.db2.gz NTYSPXTVPOUVTK-GMTAPVOTSA-N -1 0 312.322 -0.081 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]2C(=O)N([C@H]3CC(=O)N(C4CC4)C3)C(=O)N2C1 ZINC001601797152 1017883806 /nfs/dbraw/zinc/88/38/06/1017883806.db2.gz FENIOOFFIBPBTG-DVVUODLYSA-N -1 0 321.333 -0.123 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2cnns2)C1 ZINC001601785450 1017883946 /nfs/dbraw/zinc/88/39/46/1017883946.db2.gz YHEJHXQHHPJNKN-HTQZYQBOSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC001601784041 1017883953 /nfs/dbraw/zinc/88/39/53/1017883953.db2.gz UQUGRQNJQAMYLP-OQEOFVATSA-N -1 0 315.329 -0.011 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cc3n(n2)CCC3)C1 ZINC001601784555 1017884027 /nfs/dbraw/zinc/88/40/27/1017884027.db2.gz ZJMMADINRCUZGF-MNOVXSKESA-N -1 0 318.333 -0.509 20 0 DBADRM O=C([O-])C1CCC(S(=O)(=O)N2CC[C@@H](O)[C@@H](CO)C2)CC1 ZINC001601800221 1017884680 /nfs/dbraw/zinc/88/46/80/1017884680.db2.gz XRHKLAIYMBJMRR-RUJICJSRSA-N -1 0 321.395 -0.365 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCN(C3CC3)CC2)C1=O ZINC001601817314 1017884699 /nfs/dbraw/zinc/88/46/99/1017884699.db2.gz KOWMHXMOMGVNLU-LBPRGKRZSA-N -1 0 309.366 -0.384 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H]2C(=O)N(CC(=O)N3CCCC3)C(=O)N2C1 ZINC001601800750 1017884979 /nfs/dbraw/zinc/88/49/79/1017884979.db2.gz YHWLMWVOZCJZOJ-VHSXEESVSA-N -1 0 309.322 -0.264 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)NCCc1nnc[nH]1 ZINC001601809563 1017884995 /nfs/dbraw/zinc/88/49/95/1017884995.db2.gz HKDLROMYDHIJTM-BDAKNGLRSA-N -1 0 302.356 -0.090 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@@H](CCCO)C2)C1=O ZINC001601817124 1017885160 /nfs/dbraw/zinc/88/51/60/1017885160.db2.gz DUPDGTBHRRQRNH-VXGBXAGGSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])[C@H]1CCCCCN1C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001601815329 1017885504 /nfs/dbraw/zinc/88/55/04/1017885504.db2.gz ATXLZFOQWBZDPQ-VXGBXAGGSA-N -1 0 311.338 -0.294 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@@](F)(CO)C2)C1=O ZINC001601819049 1017885820 /nfs/dbraw/zinc/88/58/20/1017885820.db2.gz RTTCTYAKVOAUQF-RNCFNFMXSA-N -1 0 302.302 -0.758 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCC[C@H]3CCNC(=O)[C@H]32)CC1 ZINC001601823476 1017886793 /nfs/dbraw/zinc/88/67/93/1017886793.db2.gz QTHWLQMBGWKCHM-FZMZJTMJSA-N -1 0 323.393 -0.090 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccn3)=NO2)CCO1 ZINC001601839178 1017886845 /nfs/dbraw/zinc/88/68/45/1017886845.db2.gz DIOLWYCPYHJTLQ-RYUDHWBXSA-N -1 0 305.290 -0.113 20 0 DBADRM O=C([O-])[C@H]1CCN2C(=O)N(CCN3CCCC3=O)C(=O)[C@@H]2C1 ZINC001601840104 1017887110 /nfs/dbraw/zinc/88/71/10/1017887110.db2.gz GXSUOGOMLZMIOC-UWVGGRQHSA-N -1 0 309.322 -0.264 20 0 DBADRM O=C([O-])[C@@H]1CCS(=O)(=O)N1Cc1noc2c1COCC2 ZINC001601837056 1017887167 /nfs/dbraw/zinc/88/71/67/1017887167.db2.gz DPBFDZVZTVHAPI-VIFPVBQESA-N -1 0 302.308 -0.264 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N(CCN3CCCC3=O)C(=O)[C@@H]2C1 ZINC001601840106 1017887362 /nfs/dbraw/zinc/88/73/62/1017887362.db2.gz GXSUOGOMLZMIOC-ZJUUUORDSA-N -1 0 309.322 -0.264 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(c3ccccn3)=NO2)CCO1 ZINC001601839174 1017887456 /nfs/dbraw/zinc/88/74/56/1017887456.db2.gz DIOLWYCPYHJTLQ-NEPJUHHUSA-N -1 0 305.290 -0.113 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001601823905 1017887530 /nfs/dbraw/zinc/88/75/30/1017887530.db2.gz QKGIDJAIIQZZBT-UWVGGRQHSA-N -1 0 321.337 -0.123 20 0 DBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)CCCN2CCOCC2)C1 ZINC001601829550 1017887605 /nfs/dbraw/zinc/88/76/05/1017887605.db2.gz RWFDGVSXHZGUGR-NSHDSACASA-N -1 0 306.384 -0.555 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cccc(Nc3nn[nH]n3)c2)CCO1 ZINC001601846928 1017887968 /nfs/dbraw/zinc/88/79/68/1017887968.db2.gz GHLFJABIUDGOKZ-SNVBAGLBSA-N -1 0 318.293 -0.131 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2CCOCC2CCC2)CCO1 ZINC001601850460 1017888565 /nfs/dbraw/zinc/88/85/65/1017888565.db2.gz OCNLYYANBSAOPG-NSHDSACASA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])[C@H]1COCCN1CCn1cnc(Br)n1 ZINC001601852800 1017889189 /nfs/dbraw/zinc/88/91/89/1017889189.db2.gz DFGLQSGWZZBGND-SSDOTTSWSA-N -1 0 305.132 -0.174 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cccnc1F ZINC001601853915 1017889758 /nfs/dbraw/zinc/88/97/58/1017889758.db2.gz FPEUGVQZXFNSIA-MRVPVSSYSA-N -1 0 302.283 -0.456 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccncc1 ZINC001601900536 1017890818 /nfs/dbraw/zinc/89/08/18/1017890818.db2.gz XWSTVHPJWOIJGV-VHSXEESVSA-N -1 0 313.335 -0.595 20 0 DBADRM O=C([O-])C[C@@H](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC001601906953 1017891328 /nfs/dbraw/zinc/89/13/28/1017891328.db2.gz PTISMHHIQHYFKZ-GHMZBOCLSA-N -1 0 316.379 -0.078 20 0 DBADRM O=C([O-])C[C@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C1CC1 ZINC001601906969 1017891345 /nfs/dbraw/zinc/89/13/45/1017891345.db2.gz OGEHNQGUXSYAKY-IUCAKERBSA-N -1 0 323.309 -0.630 20 0 DBADRM O=C([O-])/C=C/c1ccc(C(=O)NC[C@H](O)Cn2ccnn2)o1 ZINC001601877204 1017891382 /nfs/dbraw/zinc/89/13/82/1017891382.db2.gz WIUTURMESCDFQL-LXOKAJLYSA-N -1 0 306.278 -0.240 20 0 DBADRM O=C([O-])C[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)c1ccncc1 ZINC001601898694 1017891393 /nfs/dbraw/zinc/89/13/93/1017891393.db2.gz PKPGLJHDLZCGNQ-FMCLSXCISA-N -1 0 322.317 -0.874 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC001601908365 1017891531 /nfs/dbraw/zinc/89/15/31/1017891531.db2.gz DJTAEHMKIKTSQS-LURJTMIESA-N -1 0 320.223 -0.006 20 0 DBADRM O=C([O-])C[C@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C1CC1 ZINC001601906967 1017891748 /nfs/dbraw/zinc/89/17/48/1017891748.db2.gz OGEHNQGUXSYAKY-BDAKNGLRSA-N -1 0 323.309 -0.630 20 0 DBADRM O=C([O-])CC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC001601887803 1017891780 /nfs/dbraw/zinc/89/17/80/1017891780.db2.gz ZMRRSWMAOMAHPW-UHFFFAOYSA-N -1 0 319.361 -0.078 20 0 DBADRM O=C([O-])C[C@@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)C1CCCC1 ZINC001601909003 1017892198 /nfs/dbraw/zinc/89/21/98/1017892198.db2.gz VKYFZCBLVQEENZ-GMTAPVOTSA-N -1 0 307.368 -0.301 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)c1ccnn1C1CCC1 ZINC001601912124 1017892203 /nfs/dbraw/zinc/89/22/03/1017892203.db2.gz BAIKVGQFVQXBPM-VIFPVBQESA-N -1 0 303.340 -0.278 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC001601909335 1017892251 /nfs/dbraw/zinc/89/22/51/1017892251.db2.gz CQUSSKVFAUUJDP-SECBINFHSA-N -1 0 324.289 -0.903 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1ccc(F)cc1F ZINC001601909229 1017892422 /nfs/dbraw/zinc/89/24/22/1017892422.db2.gz OYSRBDPBFPFCPZ-ZETCQYMHSA-N -1 0 302.233 -0.145 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1cccc(C2CC2)n1 ZINC001601908944 1017892878 /nfs/dbraw/zinc/89/28/78/1017892878.db2.gz MWQSOSXRTRWQRQ-VIFPVBQESA-N -1 0 307.306 -0.151 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)C[C@@H]2CCCS2(=O)=O)CCOC1 ZINC001601925515 1017893106 /nfs/dbraw/zinc/89/31/06/1017893106.db2.gz SIFVUPVBDNGUED-JOYOIKCWSA-N -1 0 305.352 -0.296 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCCN2CCNC2=O)CC1 ZINC001601924009 1017893143 /nfs/dbraw/zinc/89/31/43/1017893143.db2.gz XSEHMRHYICDIPJ-UHFFFAOYSA-N -1 0 305.356 -0.814 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CCN(CCCO)CC2)CC1 ZINC001601920997 1017893158 /nfs/dbraw/zinc/89/31/58/1017893158.db2.gz MFBOYPDVDHZATQ-UHFFFAOYSA-N -1 0 320.411 -0.429 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CCCOC1 ZINC001601926156 1017893420 /nfs/dbraw/zinc/89/34/20/1017893420.db2.gz GERGYCMOJMQAFA-OTYXRUKQSA-N -1 0 324.337 -0.314 20 0 DBADRM O=C([O-])CC1(NC(=O)C[C@H]2CCOC2)CCS(=O)(=O)CC1 ZINC001601925085 1017893610 /nfs/dbraw/zinc/89/36/10/1017893610.db2.gz COLTULUSVSAXPP-SNVBAGLBSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])CC1(CNC(=O)CN2CCOCC2)CCOCC1 ZINC001601916402 1017893643 /nfs/dbraw/zinc/89/36/43/1017893643.db2.gz KIIYDWXOSUZKPC-UHFFFAOYSA-N -1 0 300.355 -0.294 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)[C@H]2CCCS(=O)(=O)C2)CCOC1 ZINC001601924748 1017893816 /nfs/dbraw/zinc/89/38/16/1017893816.db2.gz AGDGQVCNGJYELT-CABZTGNLSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)CNC(=O)c2ccncc2)CCCOC1 ZINC001601927098 1017894212 /nfs/dbraw/zinc/89/42/12/1017894212.db2.gz RTFMMEPKHYNPSC-HNNXBMFYSA-N -1 0 321.333 -0.049 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cc1cnn2c1CCCC2 ZINC001601940174 1017894664 /nfs/dbraw/zinc/89/46/64/1017894664.db2.gz RJOFZHNJQXSYJD-GFCCVEGCSA-N -1 0 320.349 -0.436 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCCC12OCCO2 ZINC001601939614 1017894794 /nfs/dbraw/zinc/89/47/94/1017894794.db2.gz OTXZGXYBQLJDIS-VHSXEESVSA-N -1 0 312.322 -0.669 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1n[nH]cc1Br ZINC001601939220 1017894892 /nfs/dbraw/zinc/89/48/92/1017894892.db2.gz KBQWALMNBKMILO-MRVPVSSYSA-N -1 0 317.143 -0.053 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cc1cc(F)ccc1O ZINC001601940121 1017894908 /nfs/dbraw/zinc/89/49/08/1017894908.db2.gz QXOBYOBETYKIKN-JTQLQIEISA-N -1 0 310.281 -0.125 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001601939606 1017895221 /nfs/dbraw/zinc/89/52/21/1017895221.db2.gz OSBIFLPRWFBKHU-GYIHNLGQSA-N -1 0 324.333 -0.970 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1n[nH]c2ccccc21 ZINC001601939325 1017895308 /nfs/dbraw/zinc/89/53/08/1017895308.db2.gz CLDZLLPAXWOMPC-JTQLQIEISA-N -1 0 302.290 -0.022 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccc2cc[nH]c2n1 ZINC001601940181 1017895621 /nfs/dbraw/zinc/89/56/21/1017895621.db2.gz GUXCGXIZZMMWBH-SNVBAGLBSA-N -1 0 302.290 -0.022 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2CC[C@](O)(C3CC3)C2)C1 ZINC001601941536 1017895789 /nfs/dbraw/zinc/89/57/89/1017895789.db2.gz NBTHDFCXZIUFNB-LVXGCGQJSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])C[C@@H]1CCCCN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC001601949090 1017895932 /nfs/dbraw/zinc/89/59/32/1017895932.db2.gz JTGGLBVMQDJZJE-JTQLQIEISA-N -1 0 311.338 -0.187 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001601942343 1017896176 /nfs/dbraw/zinc/89/61/76/1017896176.db2.gz SNBNKFLGNADWDB-VIFPVBQESA-N -1 0 319.273 -0.051 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cnc(C2CC2)[nH]c1=O ZINC001601943166 1017896210 /nfs/dbraw/zinc/89/62/10/1017896210.db2.gz ZNLRRVOIXMNRNR-VIFPVBQESA-N -1 0 320.305 -0.525 20 0 DBADRM O=C([O-])CC1CC(NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC001601943683 1017896288 /nfs/dbraw/zinc/89/62/88/1017896288.db2.gz IBZSJPULMKJUMR-HACHORDNSA-N -1 0 310.310 -0.815 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)C1 ZINC001601942862 1017896296 /nfs/dbraw/zinc/89/62/96/1017896296.db2.gz WXGDTBWTDNSTLY-UFNMWKOASA-N -1 0 314.363 -0.912 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cc2ncccn2n1 ZINC001601941750 1017896520 /nfs/dbraw/zinc/89/65/20/1017896520.db2.gz OGXLGXZUCYMVNL-VIFPVBQESA-N -1 0 303.278 -0.855 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cccc2nccn21 ZINC001601941077 1017896659 /nfs/dbraw/zinc/89/66/59/1017896659.db2.gz KZQIJOOVOKJFIU-SNVBAGLBSA-N -1 0 302.290 -0.250 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001601942232 1017896783 /nfs/dbraw/zinc/89/67/83/1017896783.db2.gz PWZNTDZZLPONLI-TUAOUCFPSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cnn(C(F)F)c1 ZINC001601942675 1017896798 /nfs/dbraw/zinc/89/67/98/1017896798.db2.gz UKLRVLCKDBSXCN-SSDOTTSWSA-N -1 0 302.237 -0.307 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001601942342 1017896802 /nfs/dbraw/zinc/89/68/02/1017896802.db2.gz SNBNKFLGNADWDB-SECBINFHSA-N -1 0 319.273 -0.051 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)CCO1 ZINC001601957259 1017897304 /nfs/dbraw/zinc/89/73/04/1017897304.db2.gz AWASCFQGHAVNPR-NNYUYHANSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NC2CC(F)(F)C2)CCO1 ZINC001601957463 1017897316 /nfs/dbraw/zinc/89/73/16/1017897316.db2.gz GGHJCWYACSRHEY-QMMMGPOBSA-N -1 0 306.265 -0.398 20 0 DBADRM O=C([O-])CC1CCN(C(=O)C(=O)N2CC[C@@H](O)[C@H](F)C2)CC1 ZINC001601954344 1017897385 /nfs/dbraw/zinc/89/73/85/1017897385.db2.gz XAWNARAFVMMUBU-GHMZBOCLSA-N -1 0 316.329 -0.369 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)CCO1 ZINC001601957341 1017897772 /nfs/dbraw/zinc/89/77/72/1017897772.db2.gz CPURMCSIGIVTGD-IRCOFANPSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C3CC3)C2)CCO1 ZINC001601959429 1017898232 /nfs/dbraw/zinc/89/82/32/1017898232.db2.gz WIUIDAWPUOJUGP-NWDGAFQWSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NC2CN(c3ccncn3)C2)CCO1 ZINC001601960565 1017898341 /nfs/dbraw/zinc/89/83/41/1017898341.db2.gz PFLIPOUUYUWYJJ-LLVKDONJSA-N -1 0 321.337 -0.450 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCO2)CCO1 ZINC001601959956 1017898375 /nfs/dbraw/zinc/89/83/75/1017898375.db2.gz YYBSYVUWVBFVRU-WDEREUQCSA-N -1 0 314.338 -0.626 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001498984251 1017898802 /nfs/dbraw/zinc/89/88/02/1017898802.db2.gz MHJSGTOVPGDDGZ-RKDXNWHRSA-N -1 0 310.358 -0.885 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC001601967096 1017898948 /nfs/dbraw/zinc/89/89/48/1017898948.db2.gz SIYCWDPQXIVWRJ-RYUDHWBXSA-N -1 0 313.423 -0.205 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc[n+]1[O-] ZINC001601967589 1017899197 /nfs/dbraw/zinc/89/91/97/1017899197.db2.gz HHBATDPBZSGORD-VIFPVBQESA-N -1 0 314.319 -0.966 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)C1=COCCC1 ZINC001601965354 1017899214 /nfs/dbraw/zinc/89/92/14/1017899214.db2.gz NTHJCJWTPVODRP-SNVBAGLBSA-N -1 0 303.336 -0.219 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1Cc1nnc2c(=O)[nH]ccn12 ZINC001601967605 1017899471 /nfs/dbraw/zinc/89/94/71/1017899471.db2.gz HAHLNJYVUQDUNY-QMMMGPOBSA-N -1 0 309.351 -0.190 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2 ZINC001601965397 1017899676 /nfs/dbraw/zinc/89/96/76/1017899676.db2.gz OLRFXTMPVGUWBH-YTWAJWBKSA-N -1 0 305.352 -0.188 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)C[C@H]1CC(=O)NC1=O ZINC001601966750 1017899794 /nfs/dbraw/zinc/89/97/94/1017899794.db2.gz CSHSDQUUXAFECP-SFYZADRCSA-N -1 0 300.336 -0.542 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)CC1OCCCO1 ZINC001601964390 1017899830 /nfs/dbraw/zinc/89/98/30/1017899830.db2.gz RPSDBBPTIJRETA-VIFPVBQESA-N -1 0 321.351 -0.760 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)C[C@H]1CC(=O)NC1=O ZINC001601966743 1017899836 /nfs/dbraw/zinc/89/98/36/1017899836.db2.gz CSHSDQUUXAFECP-HTQZYQBOSA-N -1 0 300.336 -0.542 20 0 DBADRM O=C([O-])CCCC(=O)N1CCO[C@@H](CN2CCOCC2)C1 ZINC001601978384 1017902340 /nfs/dbraw/zinc/90/23/40/1017902340.db2.gz HTKGCWDGHMVFQE-LBPRGKRZSA-N -1 0 300.355 -0.199 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC001601987078 1017902474 /nfs/dbraw/zinc/90/24/74/1017902474.db2.gz PWDAWMUMCMJFEJ-GFCCVEGCSA-N -1 0 320.411 -0.288 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1Cc1cn(C2CC2)nn1 ZINC001601968941 1017903095 /nfs/dbraw/zinc/90/30/95/1017903095.db2.gz WTORCQVBHHFMIZ-LLVKDONJSA-N -1 0 314.367 -0.313 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N[C@H]1CCC(=O)NC1=O ZINC001601986353 1017903440 /nfs/dbraw/zinc/90/34/40/1017903440.db2.gz MHKVYDHACMVQER-QMMMGPOBSA-N -1 0 306.340 -0.644 20 0 DBADRM O=C([O-])CCCc1nnc(NC(=O)NC[C@@H](O)CO)s1 ZINC001602002800 1017905415 /nfs/dbraw/zinc/90/54/15/1017905415.db2.gz YJLSKQLOPBGKSR-ZCFIWIBFSA-N -1 0 304.328 -0.580 20 0 DBADRM O=C([O-])CCCNC(=S)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001601992246 1017905633 /nfs/dbraw/zinc/90/56/33/1017905633.db2.gz IQPWBSZEYPZCMV-DTORHVGOSA-N -1 0 306.409 -0.298 20 0 DBADRM O=C([O-])CCCS(=O)(=O)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001601998658 1017905723 /nfs/dbraw/zinc/90/57/23/1017905723.db2.gz WMPHZPNKBLKHSG-LLVKDONJSA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])CCCNC(=S)NCCS(=O)(=O)N1CCCC1 ZINC001601993392 1017906346 /nfs/dbraw/zinc/90/63/46/1017906346.db2.gz KLNKJFPNFUKEPT-UHFFFAOYSA-N -1 0 323.440 -0.259 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC[C@H](N2CCCC2=O)C1 ZINC001601998537 1017906840 /nfs/dbraw/zinc/90/68/40/1017906840.db2.gz MTNAOEQDBDBRJW-JTQLQIEISA-N -1 0 304.368 -0.122 20 0 DBADRM O=C([O-])CCCONC(=O)CC1(n2cnnn2)CCOCC1 ZINC001601994758 1017907831 /nfs/dbraw/zinc/90/78/31/1017907831.db2.gz GJGHASDNJBNOCJ-UHFFFAOYSA-N -1 0 313.314 -0.519 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)c2nc3ncccn3n2)C1=O ZINC001602010878 1017908692 /nfs/dbraw/zinc/90/86/92/1017908692.db2.gz IZWBWQNXLUKXPX-QMMMGPOBSA-N -1 0 319.277 -0.643 20 0 DBADRM O=C([O-])CCN1CCC[C@H](N2CCCn3nncc3C2)C1=O ZINC001602010446 1017909163 /nfs/dbraw/zinc/90/91/63/1017909163.db2.gz DJNZQYUGBFEJNS-LBPRGKRZSA-N -1 0 307.354 -0.051 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)c2cc3n(n2)CCCO3)C1=O ZINC001602009887 1017909702 /nfs/dbraw/zinc/90/97/02/1017909702.db2.gz AGNIXKMLYYLQBQ-JTQLQIEISA-N -1 0 323.305 -0.102 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=S)NCC(F)(F)F ZINC001602020541 1017921640 /nfs/dbraw/zinc/92/16/40/1017921640.db2.gz VDYPAPZCMGOPMD-UHFFFAOYSA-N -1 0 301.290 -0.006 20 0 DBADRM O=C([O-])CCN(C(=O)[C@@H]1CCOC(=O)N1)C1CCOCC1 ZINC001602005537 1017911295 /nfs/dbraw/zinc/91/12/95/1017911295.db2.gz MRSUUHQLAYWNRJ-JTQLQIEISA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001602005706 1017911531 /nfs/dbraw/zinc/91/15/31/1017911531.db2.gz IZTXWSDGNURFKH-VHSXEESVSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CCN(CC(F)F)CC2)C1=O ZINC001602009413 1017912755 /nfs/dbraw/zinc/91/27/55/1017912755.db2.gz GJDBMNAALBCZSW-SNVBAGLBSA-N -1 0 305.325 -0.055 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CCC(N3CN=NC3=O)CC2)C1=O ZINC001602010661 1017912844 /nfs/dbraw/zinc/91/28/44/1017912844.db2.gz YXFSEZSASXEZDR-NSHDSACASA-N -1 0 323.353 -0.304 20 0 DBADRM O=C([O-])CCN1CCC[C@H](OC(=O)[C@H]2CCC(=O)NC2)C1=O ZINC001602012964 1017913850 /nfs/dbraw/zinc/91/38/50/1017913850.db2.gz SQTSFDOCWHORTI-UWVGGRQHSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CCN(c3cnccn3)CC2)C1=O ZINC001602015399 1017914906 /nfs/dbraw/zinc/91/49/06/1017914906.db2.gz KWKDHJUPQONORZ-GFCCVEGCSA-N -1 0 319.365 -0.326 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@H]1CCc2ncncc2C1 ZINC001602016495 1017915125 /nfs/dbraw/zinc/91/51/25/1017915125.db2.gz KJPSKACLRHRUNU-JTQLQIEISA-N -1 0 320.349 -0.321 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)C1(CF)CCOCC1 ZINC001602016541 1017916210 /nfs/dbraw/zinc/91/62/10/1017916210.db2.gz LMGSESHJGUQRCC-UHFFFAOYSA-N -1 0 304.318 -0.150 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)C(=O)Nc1ccccc1 ZINC001602016567 1017916647 /nfs/dbraw/zinc/91/66/47/1017916647.db2.gz MJJREWJOPFHTRH-UHFFFAOYSA-N -1 0 307.306 -0.278 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H]1CC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001499017208 1017918186 /nfs/dbraw/zinc/91/81/86/1017918186.db2.gz RAAVHNSQWDYRRO-YUMQZZPRSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cnc2n1CCCC2 ZINC001602019437 1017918181 /nfs/dbraw/zinc/91/81/81/1017918181.db2.gz KDQPYEGLMFSSDV-UHFFFAOYSA-N -1 0 308.338 -0.070 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)[C@H](O)c2cccnc2)C1=O ZINC001602017426 1017918951 /nfs/dbraw/zinc/91/89/51/1017918951.db2.gz XQGHUXGMDCYOMM-ZYHUDNBSSA-N -1 0 308.290 -0.266 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)Cn1cc(Cl)cn1 ZINC001602017593 1017919089 /nfs/dbraw/zinc/91/90/89/1017919089.db2.gz BRMNNPHLAYXORC-UHFFFAOYSA-N -1 0 302.718 -0.366 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCC[C@@H]1CCOC1 ZINC001602019696 1017919574 /nfs/dbraw/zinc/91/95/74/1017919574.db2.gz OAHBUOACMHOJBJ-SNVBAGLBSA-N -1 0 301.343 -0.307 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC[C@](F)(CO)C1 ZINC001602017782 1017920432 /nfs/dbraw/zinc/92/04/32/1017920432.db2.gz JGULPCYKSSWJOM-GFCCVEGCSA-N -1 0 305.306 -0.917 20 0 DBADRM O=C([O-])CCNC(=O)CCNS(=O)(=O)Cc1ccon1 ZINC001602018868 1017920515 /nfs/dbraw/zinc/92/05/15/1017920515.db2.gz AVJPXYCMDVKONR-UHFFFAOYSA-N -1 0 305.312 -0.925 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC001602018206 1017920562 /nfs/dbraw/zinc/92/05/62/1017920562.db2.gz RUZRBIDSCJLYTQ-QMMMGPOBSA-N -1 0 323.296 -0.621 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@@H]1CC12CCOCC2 ZINC001602018736 1017920730 /nfs/dbraw/zinc/92/07/30/1017920730.db2.gz FTFJVFQEWRSHBT-SNVBAGLBSA-N -1 0 313.354 -0.164 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1ccc(-n2cnnn2)cc1 ZINC001602021626 1017921544 /nfs/dbraw/zinc/92/15/44/1017921544.db2.gz MMYDQDLLQGJQMC-UHFFFAOYSA-N -1 0 319.277 -0.590 20 0 DBADRM O=C([O-])CCNC(=O)c1ccc(NC(=O)[C@@H]2COC(=O)N2)cc1 ZINC001602024037 1017921663 /nfs/dbraw/zinc/92/16/63/1017921663.db2.gz NSZCRUOVKKMLNC-JTQLQIEISA-N -1 0 321.289 -0.062 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCCCn1cccn1 ZINC001602020120 1017922179 /nfs/dbraw/zinc/92/21/79/1017922179.db2.gz RGDAORONEKQLPU-UHFFFAOYSA-N -1 0 311.342 -0.447 20 0 DBADRM O=C([O-])CCNC(=O)c1ccc(NC(=O)[C@]2(O)CCOC2)cc1 ZINC001602023861 1017922218 /nfs/dbraw/zinc/92/22/18/1017922218.db2.gz ZUXZPKTWDHLNPU-HNNXBMFYSA-N -1 0 322.317 -0.019 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC001602021005 1017923280 /nfs/dbraw/zinc/92/32/80/1017923280.db2.gz ZBXGNDFKJIBMJH-MFKMUULPSA-N -1 0 313.354 -0.166 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC001602022529 1017924125 /nfs/dbraw/zinc/92/41/25/1017924125.db2.gz ZXZJCDMMKZYZNS-RYUDHWBXSA-N -1 0 300.355 -0.153 20 0 DBADRM O=C([O-])CCNC(=O)c1ccc(NC(=O)[C@H]2COC(=O)N2)cc1 ZINC001602024038 1017924461 /nfs/dbraw/zinc/92/44/61/1017924461.db2.gz NSZCRUOVKKMLNC-SNVBAGLBSA-N -1 0 321.289 -0.062 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)CS(=O)(=O)C1CCCC1 ZINC001602021543 1017924805 /nfs/dbraw/zinc/92/48/05/1017924805.db2.gz LREYUDWPBKFMIA-UHFFFAOYSA-N -1 0 321.351 -0.522 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC001602022449 1017925135 /nfs/dbraw/zinc/92/51/35/1017925135.db2.gz WDSYTFQRCFEUOJ-JTQLQIEISA-N -1 0 324.337 -0.089 20 0 DBADRM O=C([O-])CCSCCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001602028638 1017925998 /nfs/dbraw/zinc/92/59/98/1017925998.db2.gz IXGXXUCOQBXFMC-QMMMGPOBSA-N -1 0 314.367 -0.130 20 0 DBADRM O=C([O-])CN(C1CCOCC1)S(=O)(=O)N1CCCOCC1 ZINC001602051973 1017926836 /nfs/dbraw/zinc/92/68/36/1017926836.db2.gz DYRPGZCOHVSHTG-UHFFFAOYSA-N -1 0 322.383 -0.481 20 0 DBADRM O=C([O-])CCc1csc(NC(=O)N2C[C@@H](O)[C@H](CO)C2)n1 ZINC001602045909 1017927162 /nfs/dbraw/zinc/92/71/62/1017927162.db2.gz AFTRFSHSBZVTTJ-IONNQARKSA-N -1 0 315.351 -0.023 20 0 DBADRM O=C([O-])CCc1csc(NC(=O)NCCn2cnnn2)n1 ZINC001602046667 1017928443 /nfs/dbraw/zinc/92/84/43/1017928443.db2.gz QBWIMUUUWAINJJ-UHFFFAOYSA-N -1 0 311.327 -0.032 20 0 DBADRM O=C([O-])CCc1ccc(O)c(NC(=O)[C@@H]2CC(=O)NC(=O)N2)c1 ZINC001602043580 1017928851 /nfs/dbraw/zinc/92/88/51/1017928851.db2.gz YPJDWJJOSOEIAX-VIFPVBQESA-N -1 0 321.289 -0.054 20 0 DBADRM O=C([O-])CN(C(=O)[C@@H]1CSCC(=O)N1)C1CCOCC1 ZINC001602049612 1017929241 /nfs/dbraw/zinc/92/92/41/1017929241.db2.gz LMURQHAEZDGION-VIFPVBQESA-N -1 0 302.352 -0.690 20 0 DBADRM O=C([O-])CN1CCN(C(=O)CSc2cccc[n+]2[O-])CC1 ZINC001602063180 1017929827 /nfs/dbraw/zinc/92/98/27/1017929827.db2.gz JIQCASIYPZRKAP-UHFFFAOYSA-N -1 0 311.363 -0.359 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1cnn2c1CCC2 ZINC001602054690 1017931344 /nfs/dbraw/zinc/93/13/44/1017931344.db2.gz QJZNFVWINAQRGT-UHFFFAOYSA-N -1 0 322.365 -0.312 20 0 DBADRM O=C([O-])CN(Cc1ccccc1)C(=O)CN1CCOCC1=O ZINC001602059957 1017933563 /nfs/dbraw/zinc/93/35/63/1017933563.db2.gz XRUGIBRKOQFQGP-UHFFFAOYSA-N -1 0 306.318 -0.041 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1nnc(C2CC2)o1 ZINC001602054682 1017933829 /nfs/dbraw/zinc/93/38/29/1017933829.db2.gz PAXWKWWRLVNXLX-UHFFFAOYSA-N -1 0 324.337 -0.194 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)Cn1cc(C2CC2)cn1 ZINC001602065549 1017935358 /nfs/dbraw/zinc/93/53/58/1017935358.db2.gz JLOMARGVSFALGV-GFCCVEGCSA-N -1 0 320.349 -0.048 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)/C=C/c1cncc(O)c1 ZINC001602064263 1017935462 /nfs/dbraw/zinc/93/54/62/1017935462.db2.gz NFEVAUSJFRCSCB-AAOUONPWSA-N -1 0 319.317 -0.008 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H](O)Cc1ccccc1Cl ZINC001602065515 1017935645 /nfs/dbraw/zinc/93/56/45/1017935645.db2.gz HFOYPXBJFRAOCR-JTQLQIEISA-N -1 0 314.725 -0.440 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)C1(c2ccccc2)CC(=O)C1 ZINC001602065400 1017937145 /nfs/dbraw/zinc/93/71/45/1017937145.db2.gz BPZCCEIPDKMBNT-UHFFFAOYSA-N -1 0 304.302 -0.396 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC001602069217 1017940140 /nfs/dbraw/zinc/94/01/40/1017940140.db2.gz ROAYYIGADFACRZ-SECBINFHSA-N -1 0 310.281 -0.306 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C[C@@H]1CN(C2CC2)C(=O)O1 ZINC001602067501 1017941594 /nfs/dbraw/zinc/94/15/94/1017941594.db2.gz KBSPEZGUHDHDSL-GHMZBOCLSA-N -1 0 311.338 -0.365 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1cccc2n[nH]nc21 ZINC001602067544 1017941774 /nfs/dbraw/zinc/94/17/74/1017941774.db2.gz UEGNQFADUQSDNP-SNVBAGLBSA-N -1 0 317.305 -0.237 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001602069409 1017942355 /nfs/dbraw/zinc/94/23/55/1017942355.db2.gz FKGHBQVBWMGPKK-MFKMUULPSA-N -1 0 307.306 -0.524 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)CN2CCOC2=O)cc1 ZINC001602073502 1017943349 /nfs/dbraw/zinc/94/33/49/1017943349.db2.gz LVXNKABQHWQROO-UHFFFAOYSA-N -1 0 321.289 -0.108 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)N1 ZINC001602070462 1017944831 /nfs/dbraw/zinc/94/48/31/1017944831.db2.gz FESYODSYUAQPEW-BQBZGAKWSA-N -1 0 312.244 -0.197 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccccc1-n1ccnn1 ZINC001602070116 1017946303 /nfs/dbraw/zinc/94/63/03/1017946303.db2.gz SWXWNUDHNCWDEO-UHFFFAOYSA-N -1 0 303.278 -0.802 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1CCC[C@H](C(F)(F)F)N1 ZINC001602070464 1017946470 /nfs/dbraw/zinc/94/64/70/1017946470.db2.gz FESYODSYUAQPEW-RNFRBKRXSA-N -1 0 312.244 -0.197 20 0 DBADRM O=C([O-])COCCNC(=O)CCCNC(=O)c1cccnc1 ZINC001602078571 1017947201 /nfs/dbraw/zinc/94/72/01/1017947201.db2.gz AEHUGMPDMJFLDJ-UHFFFAOYSA-N -1 0 309.322 -0.191 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC001602078537 1017948358 /nfs/dbraw/zinc/94/83/58/1017948358.db2.gz ANEQKDSLLOXRRZ-SECBINFHSA-N -1 0 301.299 -0.676 20 0 DBADRM O=C([O-])COCC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC001602076041 1017949076 /nfs/dbraw/zinc/94/90/76/1017949076.db2.gz APVCIFBUYHCXRD-GFCCVEGCSA-N -1 0 300.355 -0.199 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC001602078538 1017949197 /nfs/dbraw/zinc/94/91/97/1017949197.db2.gz ANEQKDSLLOXRRZ-VIFPVBQESA-N -1 0 301.299 -0.676 20 0 DBADRM O=C([O-])COCCNC(=O)CC[C@H]1CC[C@H](C2OCCO2)O1 ZINC001602078774 1017949461 /nfs/dbraw/zinc/94/94/61/1017949461.db2.gz OSQKIXNIUNVILZ-GHMZBOCLSA-N -1 0 317.338 -0.096 20 0 DBADRM O=C([O-])COCC(=O)NCC1(O)CCC2(CC1)OCCO2 ZINC001602077251 1017949746 /nfs/dbraw/zinc/94/97/46/1017949746.db2.gz XSGPUXWLUOGWRP-UHFFFAOYSA-N -1 0 303.311 -0.748 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC001602078551 1017949784 /nfs/dbraw/zinc/94/97/84/1017949784.db2.gz BJYUGAZZGXCDDK-JTQLQIEISA-N -1 0 309.326 -0.226 20 0 DBADRM O=C([O-])COCC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC001602076042 1017950061 /nfs/dbraw/zinc/95/00/61/1017950061.db2.gz APVCIFBUYHCXRD-LBPRGKRZSA-N -1 0 300.355 -0.199 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC001602078552 1017950765 /nfs/dbraw/zinc/95/07/65/1017950765.db2.gz BJYUGAZZGXCDDK-SNVBAGLBSA-N -1 0 309.326 -0.226 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)NC2(CO)CC2)cc1 ZINC001602084455 1017951539 /nfs/dbraw/zinc/95/15/39/1017951539.db2.gz PNEKHSDFFWNFMH-UHFFFAOYSA-N -1 0 308.290 -0.270 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N2CC[C@H](O)C2)c1 ZINC001602093577 1017952775 /nfs/dbraw/zinc/95/27/75/1017952775.db2.gz LGIVKFJHPBDVAM-JTQLQIEISA-N -1 0 308.290 -0.318 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N2CC3(C2)NC(=O)NC3=O)cc1 ZINC001602080225 1017954270 /nfs/dbraw/zinc/95/42/70/1017954270.db2.gz ICGPBUVJJFXFPF-UHFFFAOYSA-N -1 0 319.273 -0.816 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)N[C@H]2CCNC2=O)cc1 ZINC001602122040 1017955596 /nfs/dbraw/zinc/95/55/96/1017955596.db2.gz VDDCKZYGTAGSJK-JTQLQIEISA-N -1 0 305.290 -0.743 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@]3(O)C2)cc1F ZINC001602121250 1017955658 /nfs/dbraw/zinc/95/56/58/1017955658.db2.gz YAZGKISKPJWRNJ-VFZGTOFNSA-N -1 0 322.292 -0.016 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N(CCO)CCO)cc1F ZINC001602130503 1017955932 /nfs/dbraw/zinc/95/59/32/1017955932.db2.gz XBJYFBRAZFWTHV-UHFFFAOYSA-N -1 0 321.326 -0.572 20 0 DBADRM O=C([O-])CSCCNC(=O)NCCNC(=O)c1ccn[nH]1 ZINC001602099645 1017956204 /nfs/dbraw/zinc/95/62/04/1017956204.db2.gz HMXHXFHWRDOALJ-UHFFFAOYSA-N -1 0 315.355 -0.744 20 0 DBADRM O=C([O-])CSCCC(=O)Nc1ccc(=O)n(CCO)c1 ZINC001602098549 1017957369 /nfs/dbraw/zinc/95/73/69/1017957369.db2.gz FNMGPCVAHMCYRT-UHFFFAOYSA-N -1 0 300.336 -0.013 20 0 DBADRM O=C([O-])Cc1cccc(C(=O)NCCN2C(=O)CNC2=O)c1 ZINC001602131952 1017957400 /nfs/dbraw/zinc/95/74/00/1017957400.db2.gz AKVJZGXKNCFBEG-UHFFFAOYSA-N -1 0 305.290 -0.405 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1F ZINC001602131676 1017957479 /nfs/dbraw/zinc/95/74/79/1017957479.db2.gz GOMCFASGJCQUJY-UHFFFAOYSA-N -1 0 316.310 -0.427 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)N2CC[C@@H](O)[C@@H](O)C2)n1 ZINC001602151967 1017959142 /nfs/dbraw/zinc/95/91/42/1017959142.db2.gz KRYIZPHQAMYSCW-SFYZADRCSA-N -1 0 301.324 -0.270 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)N[C@@H]2CCC(=O)NC2=O)n1 ZINC001602152909 1017959327 /nfs/dbraw/zinc/95/93/27/1017959327.db2.gz ZLSHBXYMYVWWHX-ZCFIWIBFSA-N -1 0 312.307 -0.303 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)CN1CCOCC1=O ZINC001602145989 1017959570 /nfs/dbraw/zinc/95/95/70/1017959570.db2.gz ZEBNFICOTMVWSY-UHFFFAOYSA-N -1 0 306.318 -0.211 20 0 DBADRM O=C([O-])Cc1ccccc1COC(=O)CN1CC(=O)NC1=O ZINC001602147705 1017960613 /nfs/dbraw/zinc/96/06/13/1017960613.db2.gz UOLRUHIACIQZPE-UHFFFAOYSA-N -1 0 306.274 -0.091 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)NCCOCCCO)c1 ZINC001602143526 1017961170 /nfs/dbraw/zinc/96/11/70/1017961170.db2.gz XPTFMOMPPZAOKM-UHFFFAOYSA-N -1 0 317.363 -0.009 20 0 DBADRM O=C([O-])Cc1ccccc1CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001602144334 1017962355 /nfs/dbraw/zinc/96/23/55/1017962355.db2.gz PLQSBFXIYUOCIL-ZDUSSCGKSA-N -1 0 317.345 -0.544 20 0 DBADRM O=C([O-])Cn1cc(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)nn1 ZINC001602162941 1017964999 /nfs/dbraw/zinc/96/49/99/1017964999.db2.gz PGHAVVQGRIQTDQ-ZJUUUORDSA-N -1 0 314.367 -0.771 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1 ZINC001602165084 1017967492 /nfs/dbraw/zinc/96/74/92/1017967492.db2.gz GTQCJXNJYFYUMK-BDAKNGLRSA-N -1 0 323.309 -0.070 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001602169728 1017967695 /nfs/dbraw/zinc/96/76/95/1017967695.db2.gz KXSUDMRXJTWCKE-VWYCJHECSA-N -1 0 304.318 -0.595 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(C[C@@H]1C[C@H]3COC[C@@H]3O1)c2=O ZINC001602167449 1017967781 /nfs/dbraw/zinc/96/77/81/1017967781.db2.gz RRGVXBOEMXYAGW-QXEWZRGKSA-N -1 0 320.305 -0.519 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@@]3(O)C[C@H]3C2)cn1 ZINC001602163654 1017968379 /nfs/dbraw/zinc/96/83/79/1017968379.db2.gz UKCNTFYPQCWNOF-GZMMTYOYSA-N -1 0 301.324 -0.887 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NCC2(N3CCOCC3)CC2)n1 ZINC001602165411 1017969020 /nfs/dbraw/zinc/96/90/20/1017969020.db2.gz UAPGLWUMDKSPRG-UHFFFAOYSA-N -1 0 323.353 -0.046 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)n1 ZINC001602165622 1017969935 /nfs/dbraw/zinc/96/99/35/1017969935.db2.gz OIXNJRFDZDUOLM-MRVPVSSYSA-N -1 0 316.339 -0.476 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NCC2(CO)CCOCC2)n1 ZINC001602165118 1017970806 /nfs/dbraw/zinc/97/08/06/1017970806.db2.gz IFSGCYAAMHTJPT-UHFFFAOYSA-N -1 0 312.326 -0.122 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001602170432 1017971350 /nfs/dbraw/zinc/97/13/50/1017971350.db2.gz XBQJKJHKZXBVCY-KWQFWETISA-N -1 0 324.330 -0.992 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001602196869 1017972556 /nfs/dbraw/zinc/97/25/56/1017972556.db2.gz QXNHRTZHCZDKMS-RKYAFEOHSA-N -1 0 313.281 -0.269 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)C1 ZINC001602180678 1017972671 /nfs/dbraw/zinc/97/26/71/1017972671.db2.gz XODHWCTUPOTCOG-JUBVYOIVSA-N -1 0 307.393 -0.225 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1ccc(O)cc1 ZINC001602182195 1017973680 /nfs/dbraw/zinc/97/36/80/1017973680.db2.gz ZDEMPIMGEQWWKM-NWDGAFQWSA-N -1 0 317.305 -0.295 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCN3C(=O)OC[C@H]3C2)C1 ZINC001602191535 1017973918 /nfs/dbraw/zinc/97/39/18/1017973918.db2.gz MJOWCPCRCCZMSW-HBNTYKKESA-N -1 0 312.322 -0.081 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cc(-n2cccn2)ccn1 ZINC001602190829 1017974102 /nfs/dbraw/zinc/97/41/02/1017974102.db2.gz KMGGYLXCTQKUFA-PWSUYJOCSA-N -1 0 302.290 -0.073 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CN1Cc2ccccc2C1=O ZINC001602190735 1017974163 /nfs/dbraw/zinc/97/41/63/1017974163.db2.gz FAMXQLKMKLLBKF-PWSUYJOCSA-N -1 0 304.302 -0.311 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cn(C2CCOCC2)nn1 ZINC001602192354 1017974391 /nfs/dbraw/zinc/97/43/91/1017974391.db2.gz XPFHBXSRHKCWKB-KOLCDFICSA-N -1 0 310.310 -0.710 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)C[C@@H]21 ZINC001602204412 1017975307 /nfs/dbraw/zinc/97/53/07/1017975307.db2.gz GLFJFZIEPKSEHW-GOONRYMUSA-N -1 0 307.350 -0.031 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNS(=O)(=O)CC1CCOCC1 ZINC001602201169 1017975840 /nfs/dbraw/zinc/97/58/40/1017975840.db2.gz KVXZMFBQQGESJK-GHMZBOCLSA-N -1 0 307.368 -0.178 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C[C@@H]21 ZINC001602206884 1017976616 /nfs/dbraw/zinc/97/66/16/1017976616.db2.gz LUWINTOLHZPNQF-UXCLJVHYSA-N -1 0 301.364 -0.010 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N([C@@H]2CCOC23CCOCC3)C1=O ZINC001602200039 1017977210 /nfs/dbraw/zinc/97/72/10/1017977210.db2.gz NHBKVFNLICOWPI-DBIOUOCHSA-N -1 0 324.333 -0.034 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)c3c[nH]c4ncncc34)C[C@@H]21 ZINC001602206398 1017977365 /nfs/dbraw/zinc/97/73/65/1017977365.db2.gz JQIDMURKFOFKIM-MBTKJCJQSA-N -1 0 308.319 -0.139 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N([C@H]2CCN(CC(F)F)C2)C1=O ZINC001602199610 1017977541 /nfs/dbraw/zinc/97/75/41/1017977541.db2.gz HZZSLFDMOQNRDF-WHQQTDPMSA-N -1 0 317.292 -0.033 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1Cc1ccc(CO)o1 ZINC001602199086 1017978305 /nfs/dbraw/zinc/97/83/05/1017978305.db2.gz DOWYNZYMIIDETP-KWQFWETISA-N -1 0 323.305 -0.649 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CN1C(=O)N[C@H](C[C@@H]2CCCO2)C1=O ZINC001602202684 1017978516 /nfs/dbraw/zinc/97/85/16/1017978516.db2.gz YYNPQCKYGQEQQV-LMLFDSFASA-N -1 0 312.322 -0.034 20 0 DBADRM O=C([O-])[C@]12CN(c3nnnn3C[C@@H]3CCOC3)C[C@H]1COCC2 ZINC001602208197 1017980049 /nfs/dbraw/zinc/98/00/49/1017980049.db2.gz DLWLLTRUYCFCBT-COPLHBTASA-N -1 0 323.353 -0.363 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@]23CCOC3=O)n[nH]1 ZINC001602292168 1017983933 /nfs/dbraw/zinc/98/39/33/1017983933.db2.gz VTSYHUYIYAIOON-NSHDSACASA-N -1 0 315.307 -0.422 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@H](N3CC=CC3)C2)n[nH]1 ZINC001602289880 1017984562 /nfs/dbraw/zinc/98/45/62/1017984562.db2.gz YNZRAMVEHAVGIM-VIFPVBQESA-N -1 0 312.351 -0.257 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@H](CCCO)C2)n[nH]1 ZINC001602289049 1017985863 /nfs/dbraw/zinc/98/58/63/1017985863.db2.gz PMHWORKBQFILLI-QMMMGPOBSA-N -1 0 303.340 -0.109 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)on1 ZINC001602288811 1017985982 /nfs/dbraw/zinc/98/59/82/1017985982.db2.gz JZHKITHLBOKNOK-UHFFFAOYSA-N -1 0 301.280 -0.674 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCCN2CCCC2=O)n[nH]1 ZINC001602295798 1017987411 /nfs/dbraw/zinc/98/74/11/1017987411.db2.gz WFSZZRQVPKUXCW-UHFFFAOYSA-N -1 0 316.339 -0.601 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC(C(=O)NCCO)CC2)o1 ZINC001602315449 1017988206 /nfs/dbraw/zinc/98/82/06/1017988206.db2.gz ZHBXQWMTYAEXFZ-UHFFFAOYSA-N -1 0 310.306 -0.062 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)[nH]1 ZINC001602317988 1017989208 /nfs/dbraw/zinc/98/92/08/1017989208.db2.gz JNUPHTKPQRKLPW-SECBINFHSA-N -1 0 321.333 -0.184 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N2CCS(=O)(=O)CCO2)cn1 ZINC001602334279 1017991847 /nfs/dbraw/zinc/99/18/47/1017991847.db2.gz NLLFKHNHZYEBIQ-UHFFFAOYSA-N -1 0 314.319 -0.489 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@]2(CO)COCCN2)c(F)c1 ZINC001602321595 1017992239 /nfs/dbraw/zinc/99/22/39/1017992239.db2.gz GYIKGDCEPMBJIL-AWEZNQCLSA-N -1 0 312.297 -0.395 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H]3COC[C@H](C2)O3)o1 ZINC001602392755 1017992772 /nfs/dbraw/zinc/99/27/72/1017992772.db2.gz CDKPJKBVHUQXEK-OCAPTIKFSA-N -1 0 303.292 -0.234 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@H](O)C(F)(F)F)cn1 ZINC001602399976 1017995905 /nfs/dbraw/zinc/99/59/05/1017995905.db2.gz IWBHLRBGXHNCDW-ZETCQYMHSA-N -1 0 314.241 -0.019 20 0 DBADRM Cc1nccn1CC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001499120081 1017996732 /nfs/dbraw/zinc/99/67/32/1017996732.db2.gz LHOUNYBLKBJIBK-SNVBAGLBSA-N -1 0 305.342 -0.594 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC(N3CCCC3=O)C2)o1 ZINC001602394465 1017996691 /nfs/dbraw/zinc/99/66/91/1017996691.db2.gz SUNHTAMHDJQJEM-UHFFFAOYSA-N -1 0 314.319 -0.027 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1C[C@H](O)C[C@H](O)C1 ZINC001602474614 1018000497 /nfs/dbraw/zinc/00/04/97/1018000497.db2.gz WPAGKVUSTMQOAM-DTORHVGOSA-N -1 0 301.320 -0.499 20 0 DBADRM O=C([O-])c1ccnc(N2CCS(=O)(=O)C[C@H]2CCO)n1 ZINC001602479790 1018002106 /nfs/dbraw/zinc/00/21/06/1018002106.db2.gz QKPRIESUIGXILM-MRVPVSSYSA-N -1 0 301.324 -0.839 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)c1 ZINC001602478121 1018002825 /nfs/dbraw/zinc/00/28/25/1018002825.db2.gz QOTGSALWZXTCON-SECBINFHSA-N -1 0 305.290 -0.897 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N2CC(N3CCOCC3)C2)n1 ZINC001602478588 1018002843 /nfs/dbraw/zinc/00/28/43/1018002843.db2.gz GBZJEYNXBPQNEN-UHFFFAOYSA-N -1 0 322.365 -0.096 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N1C[C@H](CCO)[C@H](CO)C1 ZINC001602488010 1018003260 /nfs/dbraw/zinc/00/32/60/1018003260.db2.gz PTMBDBNPAVEKAH-IUCAKERBSA-N -1 0 319.335 -0.411 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N2CC[C@@H](CO)[C@H](O)C2)n1 ZINC001602478491 1018003277 /nfs/dbraw/zinc/00/32/77/1018003277.db2.gz AAVFCGLQOFHOSZ-CMPLNLGQSA-N -1 0 311.338 -0.437 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@@H](O)C3CCOCC3)C2)nn1 ZINC001602500353 1018004202 /nfs/dbraw/zinc/00/42/02/1018004202.db2.gz AYGXNIVJAABYGK-NSHDSACASA-N -1 0 310.310 -0.853 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CC[N@@H+]3CC[C@@H](F)C3)C2)nn1 ZINC001602501717 1018004744 /nfs/dbraw/zinc/00/47/44/1018004744.db2.gz HKWOULFNPWLDJZ-SECBINFHSA-N -1 0 311.317 -0.207 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CC[N@@H+]3CC[C@H](F)C3)C2)nn1 ZINC001602501718 1018005343 /nfs/dbraw/zinc/00/53/43/1018005343.db2.gz HKWOULFNPWLDJZ-VIFPVBQESA-N -1 0 311.317 -0.207 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)[C@H]3CCNC3=O)C2)nn1 ZINC001602493932 1018005541 /nfs/dbraw/zinc/00/55/41/1018005541.db2.gz OFCWHSKMDNOPNE-IUCAKERBSA-N -1 0 307.310 -0.724 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)CCc3nnc[nH]3)C2)nn1 ZINC001602493122 1018005956 /nfs/dbraw/zinc/00/59/56/1018005956.db2.gz QZEQSAUMWYHXFP-MRVPVSSYSA-N -1 0 305.298 -0.499 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2cc3n(n2)CCCO3)nn1 ZINC001602503056 1018007596 /nfs/dbraw/zinc/00/75/96/1018007596.db2.gz LVMCFQZDDQTMCL-UHFFFAOYSA-N -1 0 306.282 -0.615 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2nnc3ccccc3n2)nn1 ZINC001602502591 1018007997 /nfs/dbraw/zinc/00/79/97/1018007997.db2.gz CNVJGFLQOGOUPD-UHFFFAOYSA-N -1 0 313.277 -0.256 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@@H](c3cc(=O)[nH][nH]3)C2)nn1 ZINC001602502741 1018008043 /nfs/dbraw/zinc/00/80/43/1018008043.db2.gz NDGUDINVXZIFFI-SSDOTTSWSA-N -1 0 306.282 -0.579 20 0 DBADRM O=C([O-])c1cn(CCOC(=O)[C@@H]2CCCCS2(=O)=O)nn1 ZINC001602504378 1018008102 /nfs/dbraw/zinc/00/81/02/1018008102.db2.gz IBCQXVXHBAAVME-VIFPVBQESA-N -1 0 317.323 -0.513 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCC3(CCO3)CC2)nn1 ZINC001602503915 1018008271 /nfs/dbraw/zinc/00/82/71/1018008271.db2.gz ZUBUSYLPXNHOSS-UHFFFAOYSA-N -1 0 309.326 -0.059 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCOC[C@@H]2C2CC2)nn1 ZINC001602503234 1018008369 /nfs/dbraw/zinc/00/83/69/1018008369.db2.gz FZDWQELGKWKJQS-LLVKDONJSA-N -1 0 309.326 -0.203 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2cccc3ncnn32)nn1 ZINC001602502641 1018008483 /nfs/dbraw/zinc/00/84/83/1018008483.db2.gz GDQJDVJWEVCVQB-UHFFFAOYSA-N -1 0 301.266 -0.551 20 0 DBADRM O=C([O-])c1cn(CCN2C(=O)N3CCC[C@@H]4C[C@@]43C2=O)nn1 ZINC001602503939 1018008501 /nfs/dbraw/zinc/00/85/01/1018008501.db2.gz ATNVVTOQGXNZDT-OQPBUACISA-N -1 0 305.294 -0.207 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@H](N3CCCC3=O)C2)nn1 ZINC001602503320 1018008564 /nfs/dbraw/zinc/00/85/64/1018008564.db2.gz ZKXISVLSFDJHIC-VIFPVBQESA-N -1 0 307.310 -0.800 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@@H](c3ncccn3)C2)nn1 ZINC001602503181 1018008683 /nfs/dbraw/zinc/00/86/83/1018008683.db2.gz WLWWDLJPHYOXBT-SECBINFHSA-N -1 0 302.294 -0.218 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@@H](Cn3ccnn3)C2)nn1 ZINC001602502854 1018008698 /nfs/dbraw/zinc/00/86/98/1018008698.db2.gz OBUVKNUQXRACSL-SECBINFHSA-N -1 0 305.298 -0.884 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@H](N3CCC3)[C@@H](F)C2)nn1 ZINC001602502503 1018008714 /nfs/dbraw/zinc/00/87/14/1018008714.db2.gz DFIWJSWKPAKSCR-ONGXEEELSA-N -1 0 311.317 -0.379 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2cc(F)cc3n[nH]nc32)nn1 ZINC001602503127 1018009152 /nfs/dbraw/zinc/00/91/52/1018009152.db2.gz PJQWMCQMLMLZFB-UHFFFAOYSA-N -1 0 319.256 -0.183 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@H]1CCC2(C1)OCCO2 ZINC001602506553 1018010489 /nfs/dbraw/zinc/01/04/89/1018010489.db2.gz CWDONUFHSMCXMI-ZETCQYMHSA-N -1 0 317.323 -0.318 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCC[C@]12CCOC2=O ZINC001602508044 1018010588 /nfs/dbraw/zinc/01/05/88/1018010588.db2.gz WNQYRKCDJLQAKF-LLVKDONJSA-N -1 0 315.307 -0.422 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@@H](O)C1CCOCC1 ZINC001602506593 1018011002 /nfs/dbraw/zinc/01/10/02/1018011002.db2.gz GBXRNIGYZWBHGS-SECBINFHSA-N -1 0 319.339 -0.826 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@@H]1CCC2(C1)OCCO2 ZINC001602506552 1018011423 /nfs/dbraw/zinc/01/14/23/1018011423.db2.gz CWDONUFHSMCXMI-SSDOTTSWSA-N -1 0 317.323 -0.318 20 0 DBADRM O=C([O-])c1cnc(N[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)nc1 ZINC001602529662 1018012424 /nfs/dbraw/zinc/01/24/24/1018012424.db2.gz BXKBEFWNFVSCBU-VHSXEESVSA-N -1 0 319.321 -0.676 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)c2ccncc2)nc1 ZINC001602529142 1018012725 /nfs/dbraw/zinc/01/27/25/1018012725.db2.gz HGVFXFXISJZLCY-NSHDSACASA-N -1 0 317.305 -0.227 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)c3cccnn3)C2)nc1 ZINC001602526062 1018012983 /nfs/dbraw/zinc/01/29/83/1018012983.db2.gz WEBQBVKCMZZGTK-SNVBAGLBSA-N -1 0 314.305 -0.027 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H](O)[C@H](NC(=O)c3ccco3)C2)nc1 ZINC001602528025 1018013490 /nfs/dbraw/zinc/01/34/90/1018013490.db2.gz OTFWCQREOLHKEB-NXEZZACHSA-N -1 0 318.289 -0.253 20 0 DBADRM O=C([O-])c1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]c2)nc1 ZINC001602528473 1018013700 /nfs/dbraw/zinc/01/37/00/1018013700.db2.gz PQNKHAGSTCEHIY-URLYPYJESA-N -1 0 314.305 -0.238 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)[C@H]2CCCCO2)nc1 ZINC001602531252 1018014121 /nfs/dbraw/zinc/01/41/21/1018014121.db2.gz WSYHZWDXRWJILY-GHMZBOCLSA-N -1 0 324.337 -0.367 20 0 DBADRM O=C([O-])c1cnc(N2CCCN(C(=O)c3cn[nH]n3)CC2)nc1 ZINC001602526512 1018014176 /nfs/dbraw/zinc/01/41/76/1018014176.db2.gz PAEJEPWOQMJXSJ-UHFFFAOYSA-N -1 0 317.309 -0.355 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](NC(=O)c2cn[nH]n2)C2CC2)nc1 ZINC001602529797 1018014214 /nfs/dbraw/zinc/01/42/14/1018014214.db2.gz KYGULGZZRHLIRB-VIFPVBQESA-N -1 0 317.309 -0.087 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)C3CC3)[C@@H](O)C2)nc1 ZINC001602526090 1018014535 /nfs/dbraw/zinc/01/45/35/1018014535.db2.gz XFXQZKPGWZJXRS-MNOVXSKESA-N -1 0 306.322 -0.359 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)c1 ZINC001602544890 1018015106 /nfs/dbraw/zinc/01/51/06/1018015106.db2.gz GWZICSWFZVNTKG-CMPLNLGQSA-N -1 0 322.321 -0.913 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N(CCOCCO)C2CCC2)c1 ZINC001602544851 1018016042 /nfs/dbraw/zinc/01/60/42/1018016042.db2.gz YVJGYAIDKLVMCF-UHFFFAOYSA-N -1 0 311.338 -0.029 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCO[C@H](C(=O)C3CC3)C2)c1 ZINC001602545558 1018016210 /nfs/dbraw/zinc/01/62/10/1018016210.db2.gz UTNMMXLEKZQBMB-NSHDSACASA-N -1 0 307.306 -0.212 20 0 DBADRM O=C([O-])c1cncc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)c1 ZINC001602533763 1018017035 /nfs/dbraw/zinc/01/70/35/1018017035.db2.gz JJTXBLXNSZBMDC-NEPJUHHUSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1cnc(N[C@H]2CCN(C(=O)Cc3nnc[nH]3)C2)nc1 ZINC001602535053 1018017177 /nfs/dbraw/zinc/01/71/77/1018017177.db2.gz VUUGQKAACXHYIJ-VIFPVBQESA-N -1 0 317.309 -0.452 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2CCN3C(=O)N=NC3C2)c1 ZINC001602558428 1018017568 /nfs/dbraw/zinc/01/75/68/1018017568.db2.gz OGFQQUNMYYCVBA-UHFFFAOYSA-N -1 0 314.279 -0.521 20 0 DBADRM O=C([O-])c1csc(CN2CCS(=O)(=O)C[C@H]2CCO)n1 ZINC001602559895 1018017864 /nfs/dbraw/zinc/01/78/64/1018017864.db2.gz GFHFNVYXQIDDDF-MRVPVSSYSA-N -1 0 320.392 -0.177 20 0 DBADRM O=C([O-])c1nc(C(=O)N2C[C@H](CCO)[C@H](CO)C2)cs1 ZINC001602567410 1018017959 /nfs/dbraw/zinc/01/79/59/1018017959.db2.gz IPPBOJBIYOEPMR-YUMQZZPRSA-N -1 0 300.336 -0.096 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)c2ccncc2F)n1 ZINC001602573272 1018018539 /nfs/dbraw/zinc/01/85/39/1018018539.db2.gz JOZIKSJFXLZYDU-UHFFFAOYSA-N -1 0 305.269 -0.027 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)NCCN2CCC(O)CC2)c1 ZINC001602559486 1018019145 /nfs/dbraw/zinc/01/91/45/1018019145.db2.gz WBRCLPQTMJMFBJ-UHFFFAOYSA-N -1 0 318.351 -0.287 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)c2cnc[nH]c2=O)n1 ZINC001602573733 1018019195 /nfs/dbraw/zinc/01/91/95/1018019195.db2.gz SXANOUSDSSFNRT-UHFFFAOYSA-N -1 0 318.293 -0.676 20 0 DBADRM O=C([O-])c1coc(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)n1 ZINC001602553253 1018019296 /nfs/dbraw/zinc/01/92/96/1018019296.db2.gz NOGZWHVONJQZAN-SSDOTTSWSA-N -1 0 319.277 -0.235 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)C3CC3)[C@H](O)C2)n1 ZINC001602572048 1018019336 /nfs/dbraw/zinc/01/93/36/1018019336.db2.gz KPJJNAKZCBOHBN-NXEZZACHSA-N -1 0 306.322 -0.359 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)Cc3ccon3)C2)n1 ZINC001602575512 1018019910 /nfs/dbraw/zinc/01/99/10/1018019910.db2.gz ZJNUEQPLDMLQPB-JTQLQIEISA-N -1 0 317.305 -0.160 20 0 DBADRM Cc1nn(C)cc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001499183659 1018020623 /nfs/dbraw/zinc/02/06/23/1018020623.db2.gz YLYBAZQSPJWEEW-UHFFFAOYSA-N -1 0 305.342 -0.396 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001602577426 1018020941 /nfs/dbraw/zinc/02/09/41/1018020941.db2.gz JKNBAHZFWVQJMG-FZIOLRSQSA-N -1 0 316.360 -0.326 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)c3ccncn3)C2)n1 ZINC001602576147 1018020990 /nfs/dbraw/zinc/02/09/90/1018020990.db2.gz OASQINDGZLYSGS-SECBINFHSA-N -1 0 314.305 -0.287 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](NC(=O)[C@H]2CCOC2)C2CC2)n1 ZINC001602575494 1018021130 /nfs/dbraw/zinc/02/11/30/1018021130.db2.gz ZASFFLWWIRSNHG-WDEREUQCSA-N -1 0 320.349 -0.060 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)[C@H]2CC23CC3)n1 ZINC001602575467 1018021337 /nfs/dbraw/zinc/02/13/37/1018021337.db2.gz YJAJVHDCXSEOEK-RKDXNWHRSA-N -1 0 306.322 -0.714 20 0 DBADRM O=C([O-])c1nccc(N2C[C@@H](O)[C@H](NC(=O)C3CCC3)C2)n1 ZINC001602574590 1018021716 /nfs/dbraw/zinc/02/17/16/1018021716.db2.gz VRXMWILHQUOEGU-NXEZZACHSA-N -1 0 306.322 -0.359 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)c3cocn3)C2)n1 ZINC001602575522 1018021730 /nfs/dbraw/zinc/02/17/30/1018021730.db2.gz ZLMWJBDBQZAREF-MRVPVSSYSA-N -1 0 303.278 -0.089 20 0 DBADRM O=C([O-])c1nccnc1NCCS(=O)(=O)N1CCOCC1 ZINC001602579897 1018022429 /nfs/dbraw/zinc/02/24/29/1018022429.db2.gz VOJALPSEMKRBAS-UHFFFAOYSA-N -1 0 316.339 -0.751 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)N1C[C@H](CO)[C@H](CCO)C1 ZINC001602581215 1018023030 /nfs/dbraw/zinc/02/30/30/1018023030.db2.gz PQKCEXOABBMFTN-NXEZZACHSA-N -1 0 312.322 -0.245 20 0 DBADRM O=C([O-])c1nccnc1N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001602580413 1018023094 /nfs/dbraw/zinc/02/30/94/1018023094.db2.gz BLIBCTJOHLMRRM-UHFFFAOYSA-N -1 0 312.351 -0.211 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)N1CCS(=O)(=O)CCO1 ZINC001602583720 1018023504 /nfs/dbraw/zinc/02/35/04/1018023504.db2.gz WMUDOEGQCLZEGG-UHFFFAOYSA-N -1 0 318.307 -0.506 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1O ZINC001602579464 1018023835 /nfs/dbraw/zinc/02/38/35/1018023835.db2.gz WGQNWRSDWTYHET-HTQZYQBOSA-N -1 0 302.308 -0.792 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC001602584496 1018023852 /nfs/dbraw/zinc/02/38/52/1018023852.db2.gz GFJCEAAQCLLLOI-VIFPVBQESA-N -1 0 323.305 -0.277 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)N1C[C@H](O)C[C@H](O)C1 ZINC001602598704 1018023991 /nfs/dbraw/zinc/02/39/91/1018023991.db2.gz HAMWULPLTRFDGD-KNVOCYPGSA-N -1 0 307.349 -0.438 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001602585107 1018024032 /nfs/dbraw/zinc/02/40/32/1018024032.db2.gz OOVCJTJXMGKNFG-HTQZYQBOSA-N -1 0 302.258 -0.179 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cc(Br)n[nH]2)C1 ZINC001602624565 1018024818 /nfs/dbraw/zinc/02/48/18/1018024818.db2.gz AOAIZMJEJXBCEK-SECBINFHSA-N -1 0 304.100 -0.166 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)[C@@H]3[C@H]4CCCO[C@H]43)CC2)CCOC1 ZINC001602621858 1018024897 /nfs/dbraw/zinc/02/48/97/1018024897.db2.gz DSWDDIHJPVOVIY-JXFSHQFZSA-N -1 0 324.377 -0.201 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccc(Cn3ccnn3)cc2)C1 ZINC001602624671 1018025313 /nfs/dbraw/zinc/02/53/13/1018025313.db2.gz CZHKCTUSSWSCJD-UHFFFAOYSA-N -1 0 302.290 -0.402 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001602624475 1018025390 /nfs/dbraw/zinc/02/53/90/1018025390.db2.gz VGTNNVNULREPQI-CQSZACIVSA-N -1 0 302.290 -0.071 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)OC[C@H]1CN(c2ncccn2)CCO1 ZINC001602616318 1018025421 /nfs/dbraw/zinc/02/54/21/1018025421.db2.gz PTCYJTGLCWSUCL-MXWKQRLJSA-N -1 0 307.306 -0.054 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cnc(C3OCCO3)s2)C1 ZINC001602628028 1018025813 /nfs/dbraw/zinc/02/58/13/1018025813.db2.gz ZJINZSUXFIFEEC-GFCCVEGCSA-N -1 0 314.319 -0.150 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccccc2N2CCOCC2)C1 ZINC001602627215 1018025829 /nfs/dbraw/zinc/02/58/29/1018025829.db2.gz NDJOYKXINDFUOG-UHFFFAOYSA-N -1 0 306.318 -0.205 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)c3cccnn3)CC2)CCOC1 ZINC001602628711 1018025882 /nfs/dbraw/zinc/02/58/82/1018025882.db2.gz NTYFKSNMDQKINO-AWEZNQCLSA-N -1 0 306.322 -0.522 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)CCOC1 ZINC001602623646 1018026248 /nfs/dbraw/zinc/02/62/48/1018026248.db2.gz KSHFMIXPRMIVFC-HNNXBMFYSA-N -1 0 321.333 -0.679 20 0 DBADRM O=C([O-])[C@@]1(N2CCN([C@@H]3CCN(C4CC4)C3=O)CC2)CCOC1 ZINC001602628917 1018026450 /nfs/dbraw/zinc/02/64/50/1018026450.db2.gz BNKBVJWXIFBBPQ-CZUORRHYSA-N -1 0 323.393 -0.389 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)c3cncc(O)c3)CC2)CCOC1 ZINC001602629348 1018027190 /nfs/dbraw/zinc/02/71/90/1018027190.db2.gz DQVVXDUMEAWGMZ-OAHLLOKOSA-N -1 0 321.333 -0.211 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)NCC[C@@H]2CNC(=O)C2)c1 ZINC001602632945 1018027817 /nfs/dbraw/zinc/02/78/17/1018027817.db2.gz ABBWCVSEVMEWLQ-ZETCQYMHSA-N -1 0 302.308 -0.218 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[C@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001602631270 1018028290 /nfs/dbraw/zinc/02/82/90/1018028290.db2.gz BMFXJVMWEZUAGX-RMPHRYRLSA-N -1 0 310.350 -0.272 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H]2CNC(=O)C2)CCCC1 ZINC001602637233 1018028974 /nfs/dbraw/zinc/02/89/74/1018028974.db2.gz NKGUNFDVUWCVQT-VIFPVBQESA-N -1 0 304.368 -0.313 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001602636628 1018029006 /nfs/dbraw/zinc/02/90/06/1018029006.db2.gz SJCZMUSODYBTCB-HCWXCVPCSA-N -1 0 300.208 -0.160 20 0 DBADRM O=C([O-])c1c(NC(=O)N[C@@H]2CCC(=O)NC2=O)nc2n1CCC2 ZINC001602638393 1018029301 /nfs/dbraw/zinc/02/93/01/1018029301.db2.gz FEBZRNHRLJMKID-ZCFIWIBFSA-N -1 0 321.293 -0.546 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)nn1 ZINC001602642770 1018029411 /nfs/dbraw/zinc/02/94/11/1018029411.db2.gz NPHFRGNNUSZMCE-NXEZZACHSA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC001602640088 1018029750 /nfs/dbraw/zinc/02/97/50/1018029750.db2.gz SOVFZJOEWMDZQX-SNVBAGLBSA-N -1 0 323.280 -0.003 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@@H]1CCNC(=O)CC1 ZINC001602640806 1018029781 /nfs/dbraw/zinc/02/97/81/1018029781.db2.gz VQTSRVKMGVLOMQ-VHSXEESVSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N[C@@H]1CCC(=O)NC1=O ZINC001602638841 1018029865 /nfs/dbraw/zinc/02/98/65/1018029865.db2.gz LDZWRTPXEMLZCY-ZCFIWIBFSA-N -1 0 302.264 -0.939 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001602642298 1018029890 /nfs/dbraw/zinc/02/98/90/1018029890.db2.gz CJSJUDCSGPZMTH-DBIOUOCHSA-N -1 0 323.349 -0.907 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@H]2CNC(=O)C2)CCCC1 ZINC001602637232 1018030214 /nfs/dbraw/zinc/03/02/14/1018030214.db2.gz NKGUNFDVUWCVQT-SECBINFHSA-N -1 0 304.368 -0.313 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)C1 ZINC001602637163 1018030522 /nfs/dbraw/zinc/03/05/22/1018030522.db2.gz WLJLLHPWAUKSBY-LLVKDONJSA-N -1 0 321.289 -0.425 20 0 DBADRM O=C([O-])c1ccc2c(c1)N(C(=O)CN1CC(=O)NC1=O)CC2 ZINC001602648559 1018031169 /nfs/dbraw/zinc/03/11/69/1018031169.db2.gz FSQRXIBCFDQDEJ-UHFFFAOYSA-N -1 0 303.274 -0.174 20 0 DBADRM O=C([O-])c1nc(C(=O)N2CCC(=O)NCC23COC3)cs1 ZINC001602647061 1018032101 /nfs/dbraw/zinc/03/21/01/1018032101.db2.gz VXIOPVZDISEBET-UHFFFAOYSA-N -1 0 311.319 -0.428 20 0 DBADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CN1CCNC(=O)C1 ZINC001602649528 1018032260 /nfs/dbraw/zinc/03/22/60/1018032260.db2.gz UUZWYINWNLWDDR-OAHLLOKOSA-N -1 0 317.345 -0.371 20 0 DBADRM O=C([O-])c1nccc(N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)n1 ZINC001602647297 1018032301 /nfs/dbraw/zinc/03/23/01/1018032301.db2.gz NEWHDAPXKQLSBT-VIFPVBQESA-N -1 0 319.321 -0.898 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCCN2CCNC(=O)C2)s1 ZINC001602650187 1018032563 /nfs/dbraw/zinc/03/25/63/1018032563.db2.gz DHZUHCNXPZWWSZ-UHFFFAOYSA-N -1 0 311.363 -0.002 20 0 DBADRM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001602649717 1018032724 /nfs/dbraw/zinc/03/27/24/1018032724.db2.gz YDAABKWBXXGCSX-JTQLQIEISA-N -1 0 323.227 -0.596 20 0 DBADRM O=C([O-])c1ccc(C(=O)OCC(=O)N2CCNC(=O)C2)c(F)c1 ZINC001602648407 1018032776 /nfs/dbraw/zinc/03/27/76/1018032776.db2.gz DJQLDNBPWNIYBO-UHFFFAOYSA-N -1 0 324.264 -0.361 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)nc1 ZINC001602647434 1018032808 /nfs/dbraw/zinc/03/28/08/1018032808.db2.gz UZSIWAUAYJOESO-ZJUUUORDSA-N -1 0 319.321 -0.852 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC(=O)N(C3CC3)C2)CCC1 ZINC001602650734 1018033970 /nfs/dbraw/zinc/03/39/70/1018033970.db2.gz HEDMQOMLGCAZDU-UHFFFAOYSA-N -1 0 302.352 -0.165 20 0 DBADRM O=C([O-])c1ccc(NC[C@H]2CCC[C@@]23NC(=O)NC3=O)nn1 ZINC001602654778 1018034017 /nfs/dbraw/zinc/03/40/17/1018034017.db2.gz DRIKJEPCIHSOGT-FUXBKTLASA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])c1sccc1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001602653664 1018034678 /nfs/dbraw/zinc/03/46/78/1018034678.db2.gz SWWAPCRYQJBLNN-LURJTMIESA-N -1 0 318.332 -0.702 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)NCCN3CCNC(=O)C3)[C@@H]2C1 ZINC001602650340 1018034830 /nfs/dbraw/zinc/03/48/30/1018034830.db2.gz KMVSUCRNCKCIEL-KXNHARMFSA-N -1 0 324.381 -0.783 20 0 DBADRM O=C([O-])c1cncc(NC[C@H]2CCC[C@@]23NC(=O)NC3=O)n1 ZINC001602655172 1018035882 /nfs/dbraw/zinc/03/58/82/1018035882.db2.gz NKSPTNTYIKDJCS-FUXBKTLASA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)[C@@H]3CCOC(=O)N3)C2)nn1 ZINC001602656490 1018036136 /nfs/dbraw/zinc/03/61/36/1018036136.db2.gz PJJHPCHBEJWCCD-SFYZADRCSA-N -1 0 309.282 -0.752 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c[nH]1 ZINC001602655195 1018036232 /nfs/dbraw/zinc/03/62/32/1018036232.db2.gz NVWYIYAHUBDWSD-RTHLEPHNSA-N -1 0 320.305 -0.179 20 0 DBADRM O=C([O-])c1ccc(NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)nn1 ZINC001602654780 1018036244 /nfs/dbraw/zinc/03/62/44/1018036244.db2.gz DRIKJEPCIHSOGT-WPPNPWJKSA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCC([C@H]3COC(=O)N3)CC2)n1 ZINC001602656581 1018036595 /nfs/dbraw/zinc/03/65/95/1018036595.db2.gz VELUZTZDVTWFHW-LLVKDONJSA-N -1 0 322.321 -0.072 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)[C@@H]1CCOC(=O)N1 ZINC001602656468 1018036640 /nfs/dbraw/zinc/03/66/40/1018036640.db2.gz ORPDWGQPPGAOPN-JGVFFNPUSA-N -1 0 302.283 -0.793 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCC([C@@H]3COC(=O)N3)CC2)C(=O)O1 ZINC001602655383 1018036916 /nfs/dbraw/zinc/03/69/16/1018036916.db2.gz GOSMJXRYFQOCKC-UWVGGRQHSA-N -1 0 313.310 -0.330 20 0 DBADRM O=C([O-])c1cc(NC[C@H]2CCC[C@]23NC(=O)NC3=O)ncn1 ZINC001602655177 1018037171 /nfs/dbraw/zinc/03/71/71/1018037171.db2.gz NKSXILMNALRMNM-UHLUBPPHSA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])c1cc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cs1 ZINC001602659459 1018037766 /nfs/dbraw/zinc/03/77/66/1018037766.db2.gz QSCKQVLJSAITHP-SECBINFHSA-N -1 0 309.347 -0.411 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)[C@H]3COC(=O)N3)C2)nn1 ZINC001602658119 1018037866 /nfs/dbraw/zinc/03/78/66/1018037866.db2.gz OOWRBARRWAPIEE-VXNVDRBHSA-N -1 0 309.282 -0.752 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CCC3(CCNC(=O)O3)CC2)C1 ZINC001602659718 1018038147 /nfs/dbraw/zinc/03/81/47/1018038147.db2.gz RSHZJVJTSIBOLO-JTQLQIEISA-N -1 0 311.338 -0.159 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC3(C2)CNC(=O)O3)cs1 ZINC001602658025 1018038439 /nfs/dbraw/zinc/03/84/39/1018038439.db2.gz GHAJVUZBJWRATH-UHFFFAOYSA-N -1 0 318.332 -0.071 20 0 DBADRM O=C([O-])[C@H]1Cc2ccc(O)cc2CN1C(=O)[C@@H]1CCNC1=O ZINC001602658141 1018038540 /nfs/dbraw/zinc/03/85/40/1018038540.db2.gz IZCIHEROVSGUHT-VXGBXAGGSA-N -1 0 304.302 -0.134 20 0 DBADRM O=C([O-])C1([C@@]2(O)CCCN(C(=O)[C@@H]3CCNC3=O)C2)CCC1 ZINC001602657958 1018039220 /nfs/dbraw/zinc/03/92/20/1018039220.db2.gz FDHAWQRBDVNWNR-MEBBXXQBSA-N -1 0 310.350 -0.269 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCc3nc[nH]c(=O)c3C2)C1 ZINC001602668600 1018040656 /nfs/dbraw/zinc/04/06/56/1018040656.db2.gz BSOQLIYUTXLSCT-OCAPTIKFSA-N -1 0 313.335 -0.267 20 0 DBADRM O=CN1CCCN(S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC001602663756 1018041400 /nfs/dbraw/zinc/04/14/00/1018041400.db2.gz ZOOFDLLMJMXGGB-UHFFFAOYSA-N -1 0 319.364 -0.306 20 0 DBADRM CC(=O)N1CCC(Cn2nnnc2N2CC[C@H](C(=O)[O-])C2)CC1 ZINC001602744408 1018057091 /nfs/dbraw/zinc/05/70/91/1018057091.db2.gz SOOZMXKEMCBVIQ-LBPRGKRZSA-N -1 0 322.369 -0.158 20 0 DBADRM CC(=O)NCCN(C(=O)Cn1cc(Cl)cn1)[C@@H](C)C(=O)[O-] ZINC001602755683 1018059360 /nfs/dbraw/zinc/05/93/60/1018059360.db2.gz JANCSGZLOHHGOG-QMMMGPOBSA-N -1 0 316.745 -0.026 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001602760925 1018059800 /nfs/dbraw/zinc/05/98/00/1018059800.db2.gz QVUCWRUAUXMKKH-QWRGUYRKSA-N -1 0 314.338 -0.234 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H](C)C(=O)[O-] ZINC001602755805 1018060040 /nfs/dbraw/zinc/06/00/40/1018060040.db2.gz OVMRXMBQJDPYOU-NGSGHZHUSA-N -1 0 310.350 -0.152 20 0 DBADRM CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001602765182 1018061106 /nfs/dbraw/zinc/06/11/06/1018061106.db2.gz KXCLGVYGKVQUSF-AWEZNQCLSA-N -1 0 323.305 -0.465 20 0 DBADRM CC(=O)NCCN(C(=O)C(=O)[O-])[C@@H](C)C(=O)OC(C)(C)C ZINC001602753481 1018061626 /nfs/dbraw/zinc/06/16/26/1018061626.db2.gz RQRTYQXNZGDWLG-QMMMGPOBSA-N -1 0 302.327 -0.234 20 0 DBADRM CC(=O)Nc1cnccc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001602768038 1018063396 /nfs/dbraw/zinc/06/33/96/1018063396.db2.gz WSZKXLNJEZOMLF-UHFFFAOYSA-N -1 0 320.305 -0.591 20 0 DBADRM C=CC(=O)NCCC(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001602798636 1018065393 /nfs/dbraw/zinc/06/53/93/1018065393.db2.gz VFMYKVDHRJCFRV-SECBINFHSA-N -1 0 300.311 -0.599 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001602814312 1018066110 /nfs/dbraw/zinc/06/61/10/1018066110.db2.gz IWVFJTXVGUNCJS-MWLCHTKSSA-N -1 0 318.395 -0.431 20 0 DBADRM C[C@H](C(=O)[O-])N(C1CC1)S(=O)(=O)CCCN1CCOCC1 ZINC001602820090 1018066205 /nfs/dbraw/zinc/06/62/05/1018066205.db2.gz PVLWPMLUWYOHSM-LLVKDONJSA-N -1 0 320.411 -0.024 20 0 DBADRM C[C@H](C(=O)[O-])N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC001602821586 1018066286 /nfs/dbraw/zinc/06/62/86/1018066286.db2.gz HQGRBNSXIIDSFI-MRVPVSSYSA-N -1 0 313.401 -0.951 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001602811278 1018066315 /nfs/dbraw/zinc/06/63/15/1018066315.db2.gz XANJCYPUACZVMV-SECBINFHSA-N -1 0 312.322 -0.669 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001602800505 1018066585 /nfs/dbraw/zinc/06/65/85/1018066585.db2.gz DLVUQOFYUPYOFU-HOTUBEGUSA-N -1 0 305.352 -0.440 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NC1CCN(S(N)(=O)=O)CC1 ZINC001602852964 1018068266 /nfs/dbraw/zinc/06/82/66/1018068266.db2.gz WSUOZQJFXLSCMC-SECBINFHSA-N -1 0 321.399 -0.483 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001602854691 1018069390 /nfs/dbraw/zinc/06/93/90/1018069390.db2.gz SRXVFUWYRKENIZ-SCZZXKLOSA-N -1 0 314.342 -0.750 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)n1 ZINC001602839207 1018069522 /nfs/dbraw/zinc/06/95/22/1018069522.db2.gz NYBJZMILPXSODI-UHFFFAOYSA-N -1 0 321.293 -0.396 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001602851806 1018069735 /nfs/dbraw/zinc/06/97/35/1018069735.db2.gz CEPXXNHULTZNKR-PRHODGIISA-N -1 0 307.368 -0.601 20 0 DBADRM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001602854690 1018070494 /nfs/dbraw/zinc/07/04/94/1018070494.db2.gz SRXVFUWYRKENIZ-PSASIEDQSA-N -1 0 314.342 -0.750 20 0 DBADRM CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)COCC(=O)[O-] ZINC001602871735 1018072792 /nfs/dbraw/zinc/07/27/92/1018072792.db2.gz RHPVISLNKYXROB-MRVPVSSYSA-N -1 0 304.368 -0.096 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H](NC(=O)COCC(=O)[O-])CO1 ZINC001602894983 1018073032 /nfs/dbraw/zinc/07/30/32/1018073032.db2.gz KESFWFVFNIZLBC-QMMMGPOBSA-N -1 0 304.299 -0.245 20 0 DBADRM CC(C)(C)N1C[C@H](NC(=O)c2cn(CC(=O)[O-])nn2)CC1=O ZINC001602868763 1018073703 /nfs/dbraw/zinc/07/37/03/1018073703.db2.gz QDPWCFBBLXDTHY-MRVPVSSYSA-N -1 0 309.326 -0.508 20 0 DBADRM CC(C)(C)OC(=O)NC1(CO)CCN(C(=O)C(=O)[O-])CC1 ZINC001602902789 1018075048 /nfs/dbraw/zinc/07/50/48/1018075048.db2.gz HBJKECWHHIIRFG-UHFFFAOYSA-N -1 0 302.327 -0.051 20 0 DBADRM CC(C)(C)n1nnc(CCSCC(=O)NCC(=O)[O-])n1 ZINC001602928896 1018076819 /nfs/dbraw/zinc/07/68/19/1018076819.db2.gz LNEBPAVFTMJWME-UHFFFAOYSA-N -1 0 301.372 -0.095 20 0 DBADRM CC(=O)N1CCCO[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001602927845 1018077938 /nfs/dbraw/zinc/07/79/38/1018077938.db2.gz SJZXPLVWEBTQLT-JTQLQIEISA-N -1 0 318.341 -0.872 20 0 DBADRM CC(=O)N1CC[C@H](CCNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001602923748 1018080076 /nfs/dbraw/zinc/08/00/76/1018080076.db2.gz FFQWSHYEWBQAOL-JTQLQIEISA-N -1 0 302.342 -0.251 20 0 DBADRM CC(=O)Nc1c(C)[n-]n(-c2ccc(-c3nn[nH]n3)cn2)c1=O ZINC001602939501 1018080746 /nfs/dbraw/zinc/08/07/46/1018080746.db2.gz XJAGMZPKTMUEOG-SNVBAGLBSA-N -1 0 300.282 -0.511 20 0 DBADRM CC(=O)NC1(CNc2ccnc(-c3nnn[n-]3)n2)CCCC1 ZINC001602939148 1018081753 /nfs/dbraw/zinc/08/17/53/1018081753.db2.gz GIQQBBMNCIDRIA-UHFFFAOYSA-N -1 0 302.342 -0.061 20 0 DBADRM CC(C)(CNC(=O)C1(C(=O)[O-])CC1)N1CCS(=O)CC1 ZINC001602944198 1018081928 /nfs/dbraw/zinc/08/19/28/1018081928.db2.gz KBVIJAYGCAOXHA-UHFFFAOYSA-N -1 0 302.396 -0.190 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21)C(=O)[O-] ZINC001602938701 1018081992 /nfs/dbraw/zinc/08/19/92/1018081992.db2.gz RPGMQFFZFRVITB-HBNTYKKESA-N -1 0 312.366 -0.025 20 0 DBADRM CC(C)(CNC(N)=O)NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001602948602 1018087159 /nfs/dbraw/zinc/08/71/59/1018087159.db2.gz IRZTYNCSKDWRDZ-IUCAKERBSA-N -1 0 301.343 -0.181 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC(O)(COCCO)CC1 ZINC001602961295 1018084802 /nfs/dbraw/zinc/08/48/02/1018084802.db2.gz VWWXYOJZSOYKJL-NSHDSACASA-N -1 0 303.355 -0.294 20 0 DBADRM C/C(=C\CN1CCS(=O)(=NS(C)(=O)=O)CC1)C(=O)[O-] ZINC001602963330 1018085738 /nfs/dbraw/zinc/08/57/38/1018085738.db2.gz CBHVOKJMEMCINV-YCRREMRBSA-N -1 0 310.397 -0.240 20 0 DBADRM C/C(=C/CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC001602964643 1018086591 /nfs/dbraw/zinc/08/65/91/1018086591.db2.gz QTGVXADBXRGAHY-MFUWOIKSSA-N -1 0 302.396 -0.178 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)NCCc1nnc2n1CCN(C)C2=O ZINC001602970014 1018086608 /nfs/dbraw/zinc/08/66/08/1018086608.db2.gz IUMZADOUEGEHIN-JTQLQIEISA-N -1 0 323.353 -0.621 20 0 DBADRM CC(C)(CO)CCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001602949042 1018086661 /nfs/dbraw/zinc/08/66/61/1018086661.db2.gz ZBUYLHATYJZMAC-UHFFFAOYSA-N -1 0 321.395 -0.209 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N(C)Cc1nnc2c(=O)[nH]ccn12 ZINC001602961151 1018086677 /nfs/dbraw/zinc/08/66/77/1018086677.db2.gz QCVJPPBXGSLBRT-VIFPVBQESA-N -1 0 307.310 -0.267 20 0 DBADRM C/C(=C/C(=O)NCCn1cc(C(=O)[O-])nn1)CN1CCOCC1 ZINC001602952281 1018086709 /nfs/dbraw/zinc/08/67/09/1018086709.db2.gz AZRJDSDBQBBNAK-FLIBITNWSA-N -1 0 323.353 -0.629 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC001602966074 1018086881 /nfs/dbraw/zinc/08/68/81/1018086881.db2.gz TXEINHJBMPZSLI-DCAQKATOSA-N -1 0 319.379 -0.242 20 0 DBADRM CC(C)[C@H](CNC(=O)NCCNS(=O)(=O)N(C)C)C(=O)[O-] ZINC001602983837 1018087910 /nfs/dbraw/zinc/08/79/10/1018087910.db2.gz REQRGVRZFOIQFC-VIFPVBQESA-N -1 0 324.403 -0.962 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCC(=O)N=S(C)(C)=O)C(=O)[O-] ZINC001602983412 1018091513 /nfs/dbraw/zinc/09/15/13/1018091513.db2.gz QLRFUMGRPAOQGI-MRVPVSSYSA-N -1 0 307.372 -0.103 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1C(=O)OCC1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001603007904 1018093258 /nfs/dbraw/zinc/09/32/58/1018093258.db2.gz LSKOPNARGCVDBI-NKWVEPMBSA-N -1 0 320.313 -0.913 20 0 DBADRM C[C@@H](C(=O)N1Cc2cncnc2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001603004867 1018093493 /nfs/dbraw/zinc/09/34/93/1018093493.db2.gz HMMCQFYCKLHOBS-ZETCQYMHSA-N -1 0 312.297 -0.648 20 0 DBADRM C[C@@H](C(=O)N1CCn2nccc21)n1cnc(-c2nnn[n-]2)n1 ZINC001603003576 1018093771 /nfs/dbraw/zinc/09/37/71/1018093771.db2.gz ULSJSPGNRRMFON-ZETCQYMHSA-N -1 0 300.286 -0.738 20 0 DBADRM C[C@@H](C(=O)N(C)Cc1nccn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001602990587 1018094593 /nfs/dbraw/zinc/09/45/93/1018094593.db2.gz KNUPYWPHOBDRMH-QMMMGPOBSA-N -1 0 316.329 -0.589 20 0 DBADRM C[C@@H](C(=O)NCCn1cnc(-c2nnn[n-]2)n1)c1ccccn1 ZINC001603017789 1018096876 /nfs/dbraw/zinc/09/68/76/1018096876.db2.gz ZNERRLOTAMFEAA-SECBINFHSA-N -1 0 313.325 -0.227 20 0 DBADRM CC(=O)N1CC(C(=O)NCCN(C)c2ccnc(C(=O)[O-])n2)C1 ZINC001603013157 1018096928 /nfs/dbraw/zinc/09/69/28/1018096928.db2.gz HIRANFPPECGSPE-UHFFFAOYSA-N -1 0 321.337 -0.795 20 0 DBADRM CC(=O)N1CC(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1 ZINC001603013509 1018097297 /nfs/dbraw/zinc/09/72/97/1018097297.db2.gz NPVHZKHTUNXFML-NSHDSACASA-N -1 0 313.354 -0.804 20 0 DBADRM C[C@H](C(=O)NCCC[C@H]1CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603014645 1018098146 /nfs/dbraw/zinc/09/81/46/1018098146.db2.gz CZZSXGYPEYOJAS-ZJUUUORDSA-N -1 0 320.357 -0.048 20 0 DBADRM C[C@@H](C(=O)NC[C@H](CO)CC1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603010163 1018098912 /nfs/dbraw/zinc/09/89/12/1018098912.db2.gz TXFKJKMHOLFVEX-WCBMZHEXSA-N -1 0 320.357 -0.456 20 0 DBADRM CC(C)C[C@@H]1C(=O)NCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001603018660 1018099381 /nfs/dbraw/zinc/09/93/81/1018099381.db2.gz YEVFMCOYWBVWEP-SNVBAGLBSA-N -1 0 306.384 -0.668 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])C1 ZINC001603019175 1018099597 /nfs/dbraw/zinc/09/95/97/1018099597.db2.gz TTWHORHZTIMJQR-MNOVXSKESA-N -1 0 309.326 -0.894 20 0 DBADRM C[C@H](C(=O)NC[C@]1(O)CCSC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603013730 1018101147 /nfs/dbraw/zinc/10/11/47/1018101147.db2.gz YEEKZCCTRLUJMO-RDDDGLTNSA-N -1 0 324.370 -0.997 20 0 DBADRM CC(C)CN1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)[C@@H](C)C1=O ZINC001603029141 1018102113 /nfs/dbraw/zinc/10/21/13/1018102113.db2.gz JJBVSHFALRCELW-ONGXEEELSA-N -1 0 311.338 -0.069 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])[C@H](C)C1 ZINC001603025288 1018103779 /nfs/dbraw/zinc/10/37/79/1018103779.db2.gz ABJWZHCBRTVRAJ-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@@H](C(=O)Nc1ccc[nH]c1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001603030396 1018104054 /nfs/dbraw/zinc/10/40/54/1018104054.db2.gz XPINOMTWXPMNNM-LURJTMIESA-N -1 0 301.270 -0.242 20 0 DBADRM C[C@@H](C(=O)OCCOC(F)F)n1cnc(-c2nnn[n-]2)n1 ZINC001603031624 1018105533 /nfs/dbraw/zinc/10/55/33/1018105533.db2.gz IMWUYGMJGKOSFS-YFKPBYRVSA-N -1 0 303.229 -0.198 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001603020189 1018106247 /nfs/dbraw/zinc/10/62/47/1018106247.db2.gz FXTLQZWCFHDZCW-WDEREUQCSA-N -1 0 311.338 -0.811 20 0 DBADRM C[C@@H](C(=O)Nc1ccc(=O)[nH]n1)n1cnc(-c2nnn[n-]2)n1 ZINC001603028669 1018107080 /nfs/dbraw/zinc/10/70/80/1018107080.db2.gz QKVOBYVLKDOPQC-YFKPBYRVSA-N -1 0 302.258 -0.847 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001603039975 1018108169 /nfs/dbraw/zinc/10/81/69/1018108169.db2.gz MOPPGSQEXNFKHZ-VIFPVBQESA-N -1 0 311.294 -0.374 20 0 DBADRM CC(C)C[C@H](CNC(=O)N1CC(S(N)(=O)=O)C1)CC(=O)[O-] ZINC001603042280 1018108193 /nfs/dbraw/zinc/10/81/93/1018108193.db2.gz DMBIJJXNUJKBKA-VIFPVBQESA-N -1 0 321.399 -0.194 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)O[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001603041951 1018108463 /nfs/dbraw/zinc/10/84/63/1018108463.db2.gz BVBLXCUWBYCAEF-LBPRGKRZSA-N -1 0 322.317 -0.522 20 0 DBADRM C[C@H](C(=O)OCc1cnccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001603038062 1018108579 /nfs/dbraw/zinc/10/85/79/1018108579.db2.gz YIGLGBMLAHJWHU-SSDOTTSWSA-N -1 0 301.270 -0.447 20 0 DBADRM C[C@H](C(=O)OCCc1ccn(C)n1)n1cnc(-c2nnn[n-]2)n1 ZINC001603037087 1018108972 /nfs/dbraw/zinc/10/89/72/1018108972.db2.gz KJVPBHPBLUHDGO-MRVPVSSYSA-N -1 0 317.313 -0.461 20 0 DBADRM CC(=O)NCC(=O)N(C)[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001603042435 1018110520 /nfs/dbraw/zinc/11/05/20/1018110520.db2.gz KJJXYOJNOPKGMR-JTQLQIEISA-N -1 0 321.337 -0.652 20 0 DBADRM C[C@H](C(=O)OCCc1cn[nH]c1)n1cnc(-c2nnn[n-]2)n1 ZINC001603036001 1018110594 /nfs/dbraw/zinc/11/05/94/1018110594.db2.gz ACOFGYIIBCNNLQ-SSDOTTSWSA-N -1 0 303.286 -0.472 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N(CCN(C)C)CC(=O)[O-] ZINC001603032579 1018110655 /nfs/dbraw/zinc/11/06/55/1018110655.db2.gz QNRIFMIZKOWMTK-UHFFFAOYSA-N -1 0 322.427 -0.078 20 0 DBADRM CC(=O)N[C@@H](C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)C(C)C ZINC001603034752 1018111456 /nfs/dbraw/zinc/11/14/56/1018111456.db2.gz BVVJYIJGFARTNT-RISCZKNCSA-N -1 0 311.338 -0.021 20 0 DBADRM CC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001603042436 1018111526 /nfs/dbraw/zinc/11/15/26/1018111526.db2.gz KJJXYOJNOPKGMR-SNVBAGLBSA-N -1 0 321.337 -0.652 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)CC(=O)NCCC(C)(C)C)C(=O)[O-] ZINC001603055703 1018113942 /nfs/dbraw/zinc/11/39/42/1018113942.db2.gz WWDQTNSRSHMROM-CWKPULSASA-N -1 0 320.411 -0.123 20 0 DBADRM CC(=O)NCCCNC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001603044614 1018114127 /nfs/dbraw/zinc/11/41/27/1018114127.db2.gz GOIJTVGSJGLBSY-UHFFFAOYSA-N -1 0 309.326 -0.257 20 0 DBADRM CC(=O)NCCCNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001603047729 1018114790 /nfs/dbraw/zinc/11/47/90/1018114790.db2.gz NNDIYZBZLHLUOT-UHFFFAOYSA-N -1 0 315.351 -0.107 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001603047668 1018115667 /nfs/dbraw/zinc/11/56/67/1018115667.db2.gz KBNSKYVKEQSIMB-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001603096519 1018116768 /nfs/dbraw/zinc/11/67/68/1018116768.db2.gz QYTNCESDLJCGCK-QWRGUYRKSA-N -1 0 308.338 -0.114 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)N[C@H]2C[C@@H](O)[C@@H](O)C2)c(C(=O)[O-])c1C ZINC001603093552 1018116916 /nfs/dbraw/zinc/11/69/16/1018116916.db2.gz ODVIFGCZXGGFOU-GUDFOSOFSA-N -1 0 324.333 -0.233 20 0 DBADRM CC(C)c1nc(CCNC(=O)[C@H]2CC(C(=O)[O-])=NO2)n(C)n1 ZINC001603107085 1018118468 /nfs/dbraw/zinc/11/84/68/1018118468.db2.gz LTEXPQWHTNWXRP-SECBINFHSA-N -1 0 309.326 -0.173 20 0 DBADRM CC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001603118639 1018118512 /nfs/dbraw/zinc/11/85/12/1018118512.db2.gz SNWNUIIOIYBRNX-NSHDSACASA-N -1 0 308.290 -0.221 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001603121040 1018118948 /nfs/dbraw/zinc/11/89/48/1018118948.db2.gz PZJDHOWLEWEOSY-MRVPVSSYSA-N -1 0 302.327 -0.052 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@H](CF)C(=O)[O-])s1 ZINC001603086588 1018119030 /nfs/dbraw/zinc/11/90/30/1018119030.db2.gz SGTIGMNYHXBCJX-RXMQYKEDSA-N -1 0 311.316 -0.198 20 0 DBADRM CC(=O)OC[C@H](CO)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001603087803 1018119185 /nfs/dbraw/zinc/11/91/85/1018119185.db2.gz OTHIZEIWCNWWJD-GARJFASQSA-N -1 0 303.311 -0.561 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)N[C@@H]2COC[C@H]2O)c(C(=O)[O-])c1C ZINC001603094067 1018119241 /nfs/dbraw/zinc/11/92/41/1018119241.db2.gz XORQPEIVBIIYAF-NXEZZACHSA-N -1 0 310.306 -0.358 20 0 DBADRM CC(=O)Nc1ccncc1NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001603083606 1018119870 /nfs/dbraw/zinc/11/98/70/1018119870.db2.gz ANADHFNLYJIAKQ-UHFFFAOYSA-N -1 0 303.278 -0.005 20 0 DBADRM CC(C)(C)OC(=O)NCC[C@@H](O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001603095505 1018119921 /nfs/dbraw/zinc/11/99/21/1018119921.db2.gz QDLIFMFAVUJUIL-MRVPVSSYSA-N -1 0 324.345 -0.266 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC001603134648 1018121559 /nfs/dbraw/zinc/12/15/59/1018121559.db2.gz ZRPDMURQKPNAMZ-RKDXNWHRSA-N -1 0 324.424 -0.315 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001603133865 1018121959 /nfs/dbraw/zinc/12/19/59/1018121959.db2.gz OJKMSJNQBXDAMM-IUCAKERBSA-N -1 0 324.424 -0.458 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N(CC(=O)[O-])C1CCOCC1 ZINC001603133401 1018123411 /nfs/dbraw/zinc/12/34/11/1018123411.db2.gz KYMZYPHPBPYBIR-VIFPVBQESA-N -1 0 322.383 -0.642 20 0 DBADRM C[C@H](C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)S(C)(=O)=O ZINC001603141842 1018125684 /nfs/dbraw/zinc/12/56/84/1018125684.db2.gz WDPBWZWJAHLDNI-HQJQHLMTSA-N -1 0 304.324 -0.749 20 0 DBADRM C[C@H](CC[S@@](C)=O)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603142729 1018126814 /nfs/dbraw/zinc/12/68/14/1018126814.db2.gz IZWTXOUMAPHZKQ-QONUSYMYSA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@H](C(=O)N(C)C)C1)C(=O)[O-] ZINC001603144943 1018127676 /nfs/dbraw/zinc/12/76/76/1018127676.db2.gz JWQWZABDYOBTGH-ZJUUUORDSA-N -1 0 313.354 -0.898 20 0 DBADRM C[C@H](C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)[C@@H](C)S(C)(=O)=O ZINC001603147631 1018129851 /nfs/dbraw/zinc/12/98/51/1018129851.db2.gz FIBVKUPKDKBTHU-RGOKHQFPSA-N -1 0 307.368 -0.244 20 0 DBADRM C[C@H]([C@@H](C)C(=O)NC1(C(=O)[O-])CC(CO)C1)S(C)(=O)=O ZINC001603154446 1018129927 /nfs/dbraw/zinc/12/99/27/1018129927.db2.gz DZRQXESYOIUBPN-JRSICPIFSA-N -1 0 307.368 -0.603 20 0 DBADRM C[C@H](CN(C)C(=O)C(F)(F)C(=O)N1CCOCC1)C(=O)[O-] ZINC001603146110 1018131925 /nfs/dbraw/zinc/13/19/25/1018131925.db2.gz ZNFGGZZUOVALON-MRVPVSSYSA-N -1 0 308.281 -0.340 20 0 DBADRM C[C@H]([C@@H](C)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC001603147630 1018131961 /nfs/dbraw/zinc/13/19/61/1018131961.db2.gz FIBVKUPKDKBTHU-KYXWUPHJSA-N -1 0 307.368 -0.244 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C(F)(F)F ZINC001603148344 1018132032 /nfs/dbraw/zinc/13/20/32/1018132032.db2.gz NTAFGVDXKPDVDU-NTSWFWBYSA-N -1 0 303.258 -0.105 20 0 DBADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccnn1C)[C@H](C)S(C)(=O)=O ZINC001603152232 1018132082 /nfs/dbraw/zinc/13/20/82/1018132082.db2.gz AFRIJIBVEFEJHD-OYNCUSHFSA-N -1 0 317.367 -0.269 20 0 DBADRM C[C@@H](C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-])S(C)(=O)=O ZINC001603155459 1018132311 /nfs/dbraw/zinc/13/23/11/1018132311.db2.gz PEUSKKGGNCGUQV-YUMQZZPRSA-N -1 0 309.340 -0.858 20 0 DBADRM C[C@@H](C(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1)C1CCC1 ZINC001603164327 1018134150 /nfs/dbraw/zinc/13/41/50/1018134150.db2.gz NCDJJROXVTXDBG-KOLCDFICSA-N -1 0 322.365 -0.078 20 0 DBADRM C[C@@H](CN1CCCC1=O)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603159120 1018134673 /nfs/dbraw/zinc/13/46/73/1018134673.db2.gz PPUIIYJIROSWCF-JTQLQIEISA-N -1 0 321.333 -0.326 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NC[C@H](C)Cn1cccn1)C(=O)[O-] ZINC001603158953 1018134696 /nfs/dbraw/zinc/13/46/96/1018134696.db2.gz MTBCKNJEDMAOQB-WDEREUQCSA-N -1 0 310.354 -0.186 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001603162548 1018135709 /nfs/dbraw/zinc/13/57/09/1018135709.db2.gz VUSXARWLZKBSLP-JTQLQIEISA-N -1 0 314.386 -0.299 20 0 DBADRM C[C@H](C(=O)NCC1(CC(=O)[O-])CCOCC1)S(C)(=O)=O ZINC001603164947 1018135919 /nfs/dbraw/zinc/13/59/19/1018135919.db2.gz YBUUVSVNEAHECO-SECBINFHSA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@H](S(C)(=O)=O)CC1 ZINC001603161334 1018136039 /nfs/dbraw/zinc/13/60/39/1018136039.db2.gz QLLGDCNRPIXSAE-UWVGGRQHSA-N -1 0 306.384 -0.525 20 0 DBADRM C[C@H](CN1CCCC1=O)n1nnnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001603158936 1018136216 /nfs/dbraw/zinc/13/62/16/1018136216.db2.gz LZQGQMDEMPLLIS-NXEZZACHSA-N -1 0 308.342 -0.233 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001603161459 1018136430 /nfs/dbraw/zinc/13/64/30/1018136430.db2.gz QRZMMTLVRIBYCC-GRYCIOLGSA-N -1 0 319.361 -0.143 20 0 DBADRM C[C@@H](CN(C)c1nnnn1CC(=O)N1CCCCC1)C(=O)[O-] ZINC001603159194 1018136727 /nfs/dbraw/zinc/13/67/27/1018136727.db2.gz UJCDEPBYQJCVSM-JTQLQIEISA-N -1 0 310.358 -0.158 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(c2ccccc2)C(=O)C1 ZINC001603159814 1018137744 /nfs/dbraw/zinc/13/77/44/1018137744.db2.gz GHXXKIXAHUJEMI-LLVKDONJSA-N -1 0 305.334 -0.076 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCN1CCOC(C)(C)C1)C(=O)[O-] ZINC001603166485 1018139653 /nfs/dbraw/zinc/13/96/53/1018139653.db2.gz KQIXVDBXHSJXHX-SNVBAGLBSA-N -1 0 315.370 -0.950 20 0 DBADRM C[C@H](C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)[C@@H]1CCCO1 ZINC001603167279 1018140447 /nfs/dbraw/zinc/14/04/47/1018140447.db2.gz RVQSDNSWUZSVDP-AVWBDOJWSA-N -1 0 319.379 -0.194 20 0 DBADRM C[C@@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])N1CCN(C)CC1 ZINC001603175333 1018142119 /nfs/dbraw/zinc/14/21/19/1018142119.db2.gz UWBKHFGVVBWMIK-CMPLNLGQSA-N -1 0 309.370 -0.843 20 0 DBADRM CC(C)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001603192692 1018144469 /nfs/dbraw/zinc/14/44/69/1018144469.db2.gz JTESMEUGRVTTBA-VIFPVBQESA-N -1 0 304.358 -0.007 20 0 DBADRM C[C@@H](CNC(=O)c1cn(CC(=O)[O-])nn1)CC1(C)OCCO1 ZINC001603191565 1018145544 /nfs/dbraw/zinc/14/55/44/1018145544.db2.gz XBJMLYYNCYYLEL-SECBINFHSA-N -1 0 312.326 -0.118 20 0 DBADRM CC(C)=CC(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001603185702 1018145551 /nfs/dbraw/zinc/14/55/51/1018145551.db2.gz UBYUMUORZGAUKI-VIFPVBQESA-N -1 0 302.342 -0.039 20 0 DBADRM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001603312388 1018162097 /nfs/dbraw/zinc/16/20/97/1018162097.db2.gz DDBDFWBHLWHZCS-ZRUFSTJUSA-N -1 0 303.355 -0.107 20 0 DBADRM C[C@H](NC(=O)C(=O)NCCCC(=O)[O-])[C@H](C)N1CCOCC1 ZINC001603210996 1018146235 /nfs/dbraw/zinc/14/62/35/1018146235.db2.gz QWXCXVTWCPXWCQ-QWRGUYRKSA-N -1 0 315.370 -0.807 20 0 DBADRM C[C@@H](NC(=O)[C@@H](CO)NC(N)=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603215924 1018147639 /nfs/dbraw/zinc/14/76/39/1018147639.db2.gz LPQHPHCFHSHYNV-BZNPZCIMSA-N -1 0 301.343 -0.733 20 0 DBADRM C[C@@H](NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1)c1ncn(C)n1 ZINC001603210775 1018148570 /nfs/dbraw/zinc/14/85/70/1018148570.db2.gz NZHYWULZCWKHSL-XNWIYYODSA-N -1 0 323.353 -0.248 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001603255570 1018150249 /nfs/dbraw/zinc/15/02/49/1018150249.db2.gz PHSLZJJZSUPCSQ-QMMMGPOBSA-N -1 0 308.356 -0.936 20 0 DBADRM CC(C)(C(=O)N1CC[C@](O)(C(=O)[O-])C1)S(=O)(=O)C1CC1 ZINC001603231888 1018151683 /nfs/dbraw/zinc/15/16/83/1018151683.db2.gz JPLCUDJOEYXWJY-GFCCVEGCSA-N -1 0 305.352 -0.610 20 0 DBADRM C[C@@](O)(CNC(=O)[C@@H]1CCCN1Cc1ccccn1)C(=O)[O-] ZINC001603256031 1018152096 /nfs/dbraw/zinc/15/20/96/1018152096.db2.gz CGRCEHGYWDVIRK-SWLSCSKDSA-N -1 0 307.350 -0.002 20 0 DBADRM C[C@@](NCC(=O)N1CCNC(=O)C1)(C(=O)[O-])c1ccccc1 ZINC001603246838 1018152304 /nfs/dbraw/zinc/15/23/04/1018152304.db2.gz DNZJNSFJJWVGQM-HNNXBMFYSA-N -1 0 305.334 -0.466 20 0 DBADRM C[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)c1nnnn1C1CC1 ZINC001603227485 1018152412 /nfs/dbraw/zinc/15/24/12/1018152412.db2.gz POOXIVIQHGWOSL-VXNVDRBHSA-N -1 0 310.314 -0.436 20 0 DBADRM C[C@](NCCS(=O)(=O)CC(=O)[O-])(C(N)=O)c1ccccc1 ZINC001603248683 1018152592 /nfs/dbraw/zinc/15/25/92/1018152592.db2.gz MXCFGNMVPMOKLC-CYBMUJFWSA-N -1 0 314.363 -0.524 20 0 DBADRM CC(C)[C@@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001603245518 1018152979 /nfs/dbraw/zinc/15/29/79/1018152979.db2.gz INSJIDLLPXUYLE-QMMMGPOBSA-N -1 0 305.342 -0.122 20 0 DBADRM CC(C)CC(=O)NC[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001603256798 1018154068 /nfs/dbraw/zinc/15/40/68/1018154068.db2.gz QCJGHWLXRPWKRM-VIFPVBQESA-N -1 0 320.357 -0.986 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)C1CC1 ZINC001603264674 1018154508 /nfs/dbraw/zinc/15/45/08/1018154508.db2.gz ALTBLWUWNAMSTJ-DCAQKATOSA-N -1 0 312.366 -0.073 20 0 DBADRM CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)c2ccnc3[n-]nnc32)CC1 ZINC001603262865 1018155450 /nfs/dbraw/zinc/15/54/50/1018155450.db2.gz QZNKEYGDCSRRPX-UHFFFAOYSA-N -1 0 318.337 -0.026 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)C1CC1 ZINC001603264675 1018156142 /nfs/dbraw/zinc/15/61/42/1018156142.db2.gz ALTBLWUWNAMSTJ-GARJFASQSA-N -1 0 312.366 -0.073 20 0 DBADRM CC(C)CC(=O)NC[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001603256797 1018156553 /nfs/dbraw/zinc/15/65/53/1018156553.db2.gz QCJGHWLXRPWKRM-SECBINFHSA-N -1 0 320.357 -0.986 20 0 DBADRM C[C@H](O)c1cn(C2CN(C(=O)C3(C(=O)[O-])CCOCC3)C2)nn1 ZINC001603269098 1018158436 /nfs/dbraw/zinc/15/84/36/1018158436.db2.gz SGOLLPZKIKVSPU-VIFPVBQESA-N -1 0 324.337 -0.404 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC001603271935 1018158656 /nfs/dbraw/zinc/15/86/56/1018158656.db2.gz JVSJYTOJZAGSDR-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)NN2CC(=O)NC2=O)cn1 ZINC001603286369 1018158789 /nfs/dbraw/zinc/15/87/89/1018158789.db2.gz JJWNGKXGYVHFAX-UHFFFAOYSA-N -1 0 310.270 -0.709 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CC1 ZINC001603269082 1018159523 /nfs/dbraw/zinc/15/95/23/1018159523.db2.gz SGBZPAFPEYOYAI-XQQFMLRXSA-N -1 0 314.382 -0.219 20 0 DBADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)NCCC(N)=O)cc1 ZINC001603266861 1018159887 /nfs/dbraw/zinc/15/98/87/1018159887.db2.gz LTDFXUATLDTVKU-UHFFFAOYSA-N -1 0 321.333 -0.021 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)CN2C(=O)CNC2=O)cn1 ZINC001603282098 1018160442 /nfs/dbraw/zinc/16/04/42/1018160442.db2.gz CARSXUZZUCMTMW-UHFFFAOYSA-N -1 0 309.282 -0.807 20 0 DBADRM CC(C)CCNC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001603282579 1018160549 /nfs/dbraw/zinc/16/05/49/1018160549.db2.gz AAKWDUGHOSYHOD-UHFFFAOYSA-N -1 0 307.314 -0.709 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCc3nnnn3CC2)C1 ZINC001603301728 1018161524 /nfs/dbraw/zinc/16/15/24/1018161524.db2.gz MQQZNWKAPJZTPU-RNCFNFMXSA-N -1 0 308.342 -0.116 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC([C@H]3CCOC3)C2)C1 ZINC001603297144 1018162550 /nfs/dbraw/zinc/16/25/50/1018162550.db2.gz IPIRUIHUYLQBNA-BONVTDFDSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)C1 ZINC001603296938 1018163315 /nfs/dbraw/zinc/16/33/15/1018163315.db2.gz BHAFTLGDWMRPEQ-HUUCEWRRSA-N -1 0 323.349 -0.952 20 0 DBADRM CC1(C)C(=O)NCCN1C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603311097 1018163745 /nfs/dbraw/zinc/16/37/45/1018163745.db2.gz UKFWAXDFBVMZBN-VIFPVBQESA-N -1 0 311.338 -0.953 20 0 DBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001603311179 1018164133 /nfs/dbraw/zinc/16/41/33/1018164133.db2.gz WKEAXONCENIINR-WCBMZHEXSA-N -1 0 301.343 -0.229 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC([C@@H]3CCOC3)C2)C1 ZINC001603297145 1018164233 /nfs/dbraw/zinc/16/42/33/1018164233.db2.gz IPIRUIHUYLQBNA-MEBBXXQBSA-N -1 0 310.350 -0.196 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])nn1 ZINC001603296750 1018164245 /nfs/dbraw/zinc/16/42/45/1018164245.db2.gz WTOWKAADGDDZLY-GZMMTYOYSA-N -1 0 324.337 -0.135 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CC(C2CS(=O)(=O)C2)C1 ZINC001603322315 1018168188 /nfs/dbraw/zinc/16/81/88/1018168188.db2.gz LHTLINISVGWUKA-CYBMUJFWSA-N -1 0 301.364 -0.010 20 0 DBADRM CC(C)(C)N1C[C@H](C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1=O ZINC001603344316 1018169877 /nfs/dbraw/zinc/16/98/77/1018169877.db2.gz VYWGDSWZWAUUGX-OUAUKWLOSA-N -1 0 312.366 -0.073 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)O1 ZINC001603336490 1018169978 /nfs/dbraw/zinc/16/99/78/1018169978.db2.gz KBDWBKIQOZICCL-NXEZZACHSA-N -1 0 314.338 -0.423 20 0 DBADRM CC1=C(C(=O)OCC(=O)NCC(=O)[O-])[C@H](C)n2ncnc2N1C ZINC001603351674 1018170299 /nfs/dbraw/zinc/17/02/99/1018170299.db2.gz ARKFKYZUFDQXOS-QMMMGPOBSA-N -1 0 323.309 -0.693 20 0 DBADRM CC(C)(C)N1C[C@@H](CNC(=O)Cn2cc(C(=O)[O-])nn2)CC1=O ZINC001603342878 1018170712 /nfs/dbraw/zinc/17/07/12/1018170712.db2.gz BVBNKJXKSJXPFW-SECBINFHSA-N -1 0 323.353 -0.261 20 0 DBADRM C[C@]1(CCC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCC(=O)N1 ZINC001603339492 1018170859 /nfs/dbraw/zinc/17/08/59/1018170859.db2.gz GUGYQLIJDKNLLG-CQSZACIVSA-N -1 0 311.338 -0.809 20 0 DBADRM C[C@@]1(c2nc(-c3cn(CC(=O)[O-])c(=O)[nH]c3=O)no2)CCOC1 ZINC001603348395 1018172188 /nfs/dbraw/zinc/17/21/88/1018172188.db2.gz VRUDPWTYCXVGSZ-CYBMUJFWSA-N -1 0 322.277 -0.239 20 0 DBADRM CC(C)(C)N1C[C@H](CNC(=O)Cn2cc(C(=O)[O-])nn2)CC1=O ZINC001603342879 1018172229 /nfs/dbraw/zinc/17/22/29/1018172229.db2.gz BVBNKJXKSJXPFW-VIFPVBQESA-N -1 0 323.353 -0.261 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)C1 ZINC001603355099 1018173382 /nfs/dbraw/zinc/17/33/82/1018173382.db2.gz NKKNDAPJJZATJA-ZJUUUORDSA-N -1 0 321.333 -0.107 20 0 DBADRM CC(C)(C)OC(=O)[C@]1(C(=O)N[C@@H](CO)C(=O)[O-])CCCO1 ZINC001603359467 1018173801 /nfs/dbraw/zinc/17/38/01/1018173801.db2.gz YNWYKXPUQCFJHH-ISVAXAHUSA-N -1 0 303.311 -0.561 20 0 DBADRM CC1=NO[C@H](CNC(=O)NCCOCCOCC(=O)[O-])C1 ZINC001603352375 1018175117 /nfs/dbraw/zinc/17/51/17/1018175117.db2.gz PVFLUYZXGWZRQI-JTQLQIEISA-N -1 0 303.315 -0.432 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2nc(N)nc(N(C)C)n2)C1 ZINC001603368105 1018177023 /nfs/dbraw/zinc/17/70/23/1018177023.db2.gz NUMDNEGMRDAIJI-SFYZADRCSA-N -1 0 308.342 -0.297 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCO1 ZINC001603375891 1018178435 /nfs/dbraw/zinc/17/84/35/1018178435.db2.gz XBRARHRIVHGGMY-ZJUUUORDSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCO1 ZINC001603375888 1018178693 /nfs/dbraw/zinc/17/86/93/1018178693.db2.gz XBRARHRIVHGGMY-NXEZZACHSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2cc(C(=O)[O-])nn2C)CCS1(=O)=O ZINC001603379718 1018178725 /nfs/dbraw/zinc/17/87/25/1018178725.db2.gz BESLGOIRSCDFHO-SFYZADRCSA-N -1 0 315.351 -0.186 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCC(=O)[O-])c2ncnn21 ZINC001603374344 1018179371 /nfs/dbraw/zinc/17/93/71/1018179371.db2.gz BGWZUXINAHARBP-DTWKUNHWSA-N -1 0 309.326 -0.229 20 0 DBADRM C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001603416549 1018181275 /nfs/dbraw/zinc/18/12/75/1018181275.db2.gz SQIWJVKITKCKEM-WISYIIOYSA-N -1 0 312.366 -0.073 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(CNc2ccnc(C(=O)[O-])n2)C1 ZINC001603385772 1018182903 /nfs/dbraw/zinc/18/29/03/1018182903.db2.gz RXUGMRLOLIDHBQ-UHFFFAOYSA-N -1 0 324.337 -0.010 20 0 DBADRM C[C@@H]1CCN(c2nnc([C@]3(O)CCOC3)n2C)C[C@@H]1C(=O)[O-] ZINC001603434387 1018184024 /nfs/dbraw/zinc/18/40/24/1018184024.db2.gz PVBZMQWSEBJVAI-BFVZDQMLSA-N -1 0 310.354 -0.030 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCN=C3C2=NNN3C)CC[C@@H]1C(=O)[O-] ZINC001603440914 1018185171 /nfs/dbraw/zinc/18/51/71/1018185171.db2.gz VUNFTUXGWOMMEV-UTLUCORTSA-N -1 0 307.354 -0.220 20 0 DBADRM C[C@H]1CN(C(=O)COC(=O)c2cnc(C(=O)[O-])cn2)C[C@H](C)O1 ZINC001603443573 1018185462 /nfs/dbraw/zinc/18/54/62/1018185462.db2.gz VTGYYYWPTANXDN-IUCAKERBSA-N -1 0 323.305 -0.033 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCOC[C@H]2C(=O)[O-])CC(C)(C)O1 ZINC001603442555 1018185567 /nfs/dbraw/zinc/18/55/67/1018185567.db2.gz GMKYVEIGLWDWMA-QWRGUYRKSA-N -1 0 300.355 -0.202 20 0 DBADRM C[C@@H]1CCN(c2nnc([C@H]3CNC(=O)C3)n2C)C[C@H]1C(=O)[O-] ZINC001603433015 1018185789 /nfs/dbraw/zinc/18/57/89/1018185789.db2.gz BMXUDHJBOCQLIA-OPRDCNLKSA-N -1 0 307.354 -0.034 20 0 DBADRM C[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[C@@H]1C(=O)[O-] ZINC001603443631 1018186117 /nfs/dbraw/zinc/18/61/17/1018186117.db2.gz WZPFKFWXYYRUFD-UWVGGRQHSA-N -1 0 309.322 -0.504 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N[C@H](CO)C(=O)[O-])[C@H]2C1 ZINC001603434139 1018186206 /nfs/dbraw/zinc/18/62/06/1018186206.db2.gz UMCIMKAKFUNDTP-RGOKHQFPSA-N -1 0 314.338 -0.339 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@H]1C(=O)[O-] ZINC001603453823 1018188429 /nfs/dbraw/zinc/18/84/29/1018188429.db2.gz LPHDHEHEVORDBJ-NXEZZACHSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@@H]1CN([C@@H]2CCN(CC(=O)[O-])C2=O)C[C@@]2(CCCOC2)O1 ZINC001603462427 1018188579 /nfs/dbraw/zinc/18/85/79/1018188579.db2.gz YSBSXWKCUQXWHR-LALPHHSUSA-N -1 0 312.366 -0.058 20 0 DBADRM C[C@H]1CN(C(=O)NCCCc2nnnn2C)CC[C@H]1C(=O)[O-] ZINC001603449930 1018189629 /nfs/dbraw/zinc/18/96/29/1018189629.db2.gz CEEOZHZNMMHJNM-VHSXEESVSA-N -1 0 310.358 -0.105 20 0 DBADRM CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC001603484782 1018192013 /nfs/dbraw/zinc/19/20/13/1018192013.db2.gz PBVODKLUYRDEEZ-XHNCKOQMSA-N -1 0 318.326 -0.770 20 0 DBADRM C[C@H](C[C@H]1CCOC1)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001603467272 1018192820 /nfs/dbraw/zinc/19/28/20/1018192820.db2.gz UOKNLHRLTZBMNL-HTQZYQBOSA-N -1 0 321.341 -0.107 20 0 DBADRM C[C@H]1COCC[C@H]1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001603472621 1018193173 /nfs/dbraw/zinc/19/31/73/1018193173.db2.gz CZGPJMUFPOPZFF-SBFPOUOMSA-N -1 0 319.379 -0.226 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC1(CC(=O)[O-])CC1 ZINC001603467392 1018193582 /nfs/dbraw/zinc/19/35/82/1018193582.db2.gz IVUHNISKIRIGOA-QMMMGPOBSA-N -1 0 302.327 -0.005 20 0 DBADRM CCC(=O)N1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001603485968 1018193625 /nfs/dbraw/zinc/19/36/25/1018193625.db2.gz NYOSSEZCWPCRQQ-UHFFFAOYSA-N -1 0 307.306 -0.415 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)NCCC(N)=O ZINC001603485315 1018193992 /nfs/dbraw/zinc/19/39/92/1018193992.db2.gz IEMCPOYDLSVERG-MRVPVSSYSA-N -1 0 317.342 -0.264 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001603479612 1018194042 /nfs/dbraw/zinc/19/40/42/1018194042.db2.gz GMOCRTSVDPUSBD-BJOHPYRUSA-N -1 0 322.317 -0.021 20 0 DBADRM CC[C@](C)(O)CNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603508112 1018197818 /nfs/dbraw/zinc/19/78/18/1018197818.db2.gz GRJSSJPWIDBULM-YGRLFVJLSA-N -1 0 315.370 -0.088 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC001603524124 1018198021 /nfs/dbraw/zinc/19/80/21/1018198021.db2.gz RVDQKTHRGIZSNY-SNVBAGLBSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@@H](CN1CCOCC1)N(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001603516643 1018198878 /nfs/dbraw/zinc/19/88/78/1018198878.db2.gz CMCIMVQPSMNTON-JTQLQIEISA-N -1 0 304.358 -0.186 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC001603524123 1018198924 /nfs/dbraw/zinc/19/89/24/1018198924.db2.gz RVDQKTHRGIZSNY-JTQLQIEISA-N -1 0 300.355 -0.071 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)C(=O)[O-] ZINC001603550174 1018201768 /nfs/dbraw/zinc/20/17/68/1018201768.db2.gz ZYOICPMRUAERQG-QAWJZHMJSA-N -1 0 310.350 -0.247 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CC[C@@]2(CO)CCC[C@@H]12)C(=O)[O-] ZINC001603548633 1018202540 /nfs/dbraw/zinc/20/25/40/1018202540.db2.gz JPHITLKFWRKDGI-UEKVPHQBSA-N -1 0 312.366 -0.023 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H](CO)C1)C(=O)[O-] ZINC001603549623 1018203248 /nfs/dbraw/zinc/20/32/48/1018203248.db2.gz UCACFWSVSXQBPF-HBNTYKKESA-N -1 0 300.355 -0.310 20 0 DBADRM CC[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(C)(C)O ZINC001603578602 1018206458 /nfs/dbraw/zinc/20/64/58/1018206458.db2.gz RIEMUHDPBOKLQR-VHSXEESVSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@H](CO)C1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001603565977 1018206847 /nfs/dbraw/zinc/20/68/47/1018206847.db2.gz FEWILGJVJITMFX-SECBINFHSA-N -1 0 320.357 -0.675 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)nn1 ZINC001603586565 1018209367 /nfs/dbraw/zinc/20/93/67/1018209367.db2.gz PESCEXROBGXDGL-RBZYPMLTSA-N -1 0 324.337 -0.778 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)c1nccn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001603607283 1018211438 /nfs/dbraw/zinc/21/14/38/1018211438.db2.gz DPLDTGQEGRRVCQ-JGVFFNPUSA-N -1 0 316.329 -0.370 20 0 DBADRM CC(C)(CNC(=O)C(=O)N1CC(F)(F)C[C@H]1CO)CC(=O)[O-] ZINC001603619089 1018213471 /nfs/dbraw/zinc/21/34/71/1018213471.db2.gz XIUMYXLYRYKFCS-QMMMGPOBSA-N -1 0 322.308 -0.168 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@@H](CS(N)(=O)=O)C1)CC(=O)[O-] ZINC001603627059 1018213913 /nfs/dbraw/zinc/21/39/13/1018213913.db2.gz ATAZVFGBQPMLEJ-SECBINFHSA-N -1 0 321.399 -0.193 20 0 DBADRM C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1cncs1 ZINC001603617904 1018214212 /nfs/dbraw/zinc/21/42/12/1018214212.db2.gz UQIPREPYZNKZRM-LURJTMIESA-N -1 0 305.327 -0.208 20 0 DBADRM CCC[C@@H](O)[C@H](CO)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001603633742 1018215153 /nfs/dbraw/zinc/21/51/53/1018215153.db2.gz LATPKXUSHUNBPB-WDEREUQCSA-N -1 0 318.370 -0.311 20 0 DBADRM CCCCC[C@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001603642181 1018216697 /nfs/dbraw/zinc/21/66/97/1018216697.db2.gz YHTDKBGXICTLAT-UWVGGRQHSA-N -1 0 307.368 -0.362 20 0 DBADRM CC(C)(CNC(N)=O)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001603645367 1018217347 /nfs/dbraw/zinc/21/73/47/1018217347.db2.gz ZRTGCYIQXLECCW-SFYZADRCSA-N -1 0 307.372 -0.394 20 0 DBADRM CC(C)(NC(=O)[C@@H]1CC[C@H](C(N)=O)O1)c1cc(C(=O)[O-])on1 ZINC001603676092 1018218667 /nfs/dbraw/zinc/21/86/67/1018218667.db2.gz JIRLANIHALYYKD-RQJHMYQMSA-N -1 0 311.294 -0.243 20 0 DBADRM CCCNC(=O)CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603674458 1018218869 /nfs/dbraw/zinc/21/88/69/1018218869.db2.gz JIRVJNDIZQSDIW-SNVBAGLBSA-N -1 0 313.354 -0.658 20 0 DBADRM CC(C)(NC(=O)Cn1cc(C(=O)[O-])nn1)[C@@H](O)C(F)(F)F ZINC001603673268 1018219207 /nfs/dbraw/zinc/21/92/07/1018219207.db2.gz NOLGFGQSELYDLA-MRVPVSSYSA-N -1 0 310.232 -0.206 20 0 DBADRM CC(C)(NC(=O)[C@H]1CCS(=O)(=O)N1)c1nocc1C(=O)[O-] ZINC001603671327 1018219218 /nfs/dbraw/zinc/21/92/18/1018219218.db2.gz DFEDUSLVWSRYJL-SSDOTTSWSA-N -1 0 317.323 -0.584 20 0 DBADRM CC(C)(NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1cc(C(=O)[O-])on1 ZINC001603676091 1018219392 /nfs/dbraw/zinc/21/93/92/1018219392.db2.gz JIRLANIHALYYKD-NKWVEPMBSA-N -1 0 311.294 -0.243 20 0 DBADRM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC001603678885 1018220181 /nfs/dbraw/zinc/22/01/81/1018220181.db2.gz OGEFKPVEGXOOML-SFYZADRCSA-N -1 0 321.341 -0.107 20 0 DBADRM CC(C)(F)CNC(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001603667169 1018220748 /nfs/dbraw/zinc/22/07/48/1018220748.db2.gz QLXYEZMZBLKFIG-ZDUSSCGKSA-N -1 0 315.301 -0.317 20 0 DBADRM CC(C)(O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001603687442 1018223848 /nfs/dbraw/zinc/22/38/48/1018223848.db2.gz GYXNXSYHJJDTAR-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM CCCn1cc(CNC(=O)c2cccn(CC(=O)[O-])c2=O)nn1 ZINC001603698517 1018226038 /nfs/dbraw/zinc/22/60/38/1018226038.db2.gz DCCUMYKYTXCCRM-UHFFFAOYSA-N -1 0 319.321 -0.136 20 0 DBADRM CC(C)=C(F)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001603696618 1018226442 /nfs/dbraw/zinc/22/64/42/1018226442.db2.gz BHWNKVGSHKSKDH-ZJUUUORDSA-N -1 0 316.329 -0.092 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)C1CCCC1 ZINC001500020248 1018228256 /nfs/dbraw/zinc/22/82/56/1018228256.db2.gz KTYJSYUOGPQBPV-QMMMGPOBSA-N -1 0 323.353 -0.045 20 0 DBADRM CC(C)C(=O)NCCNC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001603706244 1018230719 /nfs/dbraw/zinc/23/07/19/1018230719.db2.gz OLXPERFIEDFNNH-UHFFFAOYSA-N -1 0 323.353 -0.011 20 0 DBADRM CC(C)[C@@H](CO)ONC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001603723901 1018233967 /nfs/dbraw/zinc/23/39/67/1018233967.db2.gz WARMREHWDRXSDV-SECBINFHSA-N -1 0 305.331 -0.785 20 0 DBADRM CCN1CCC[C@@H](NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1=O ZINC001603760271 1018235381 /nfs/dbraw/zinc/23/53/81/1018235381.db2.gz JJLJWVULYMDPMR-NXEZZACHSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001603830028 1018251796 /nfs/dbraw/zinc/25/17/96/1018251796.db2.gz BHTPEAAVZGCVHA-LLVKDONJSA-N -1 0 320.411 -0.468 20 0 DBADRM CCN1C[C@@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)CC1=O ZINC001603756098 1018237063 /nfs/dbraw/zinc/23/70/63/1018237063.db2.gz CKIVOKQUWDFDNJ-VIFPVBQESA-N -1 0 307.306 -0.717 20 0 DBADRM CCOC(=O)[C@H](C)OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603780297 1018237988 /nfs/dbraw/zinc/23/79/88/1018237988.db2.gz OKXUPMHODVTCAL-IUCAKERBSA-N -1 0 301.295 -0.196 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCN(C)C[C@H]1CO)C(=O)[O-] ZINC001603777107 1018237938 /nfs/dbraw/zinc/23/79/38/1018237938.db2.gz ZVAYEUZYROSYBM-RYUDHWBXSA-N -1 0 301.387 -0.790 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)[C@@H]1NC(=O)O[C@@H]1C)C(=O)[O-] ZINC001603777159 1018240286 /nfs/dbraw/zinc/24/02/86/1018240286.db2.gz QWMZYKGJYIFAFS-KHQFGBGNSA-N -1 0 316.310 -0.358 20 0 DBADRM CC1(C)C[C@@]1(C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603763934 1018240390 /nfs/dbraw/zinc/24/03/90/1018240390.db2.gz BODVSLZCNOMYAQ-GFCCVEGCSA-N -1 0 305.346 -0.054 20 0 DBADRM CCOC(=O)[C@H](CO)NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001603780998 1018242335 /nfs/dbraw/zinc/24/23/35/1018242335.db2.gz VSFPFOCDLMKDKJ-UTLUCORTSA-N -1 0 303.311 -0.704 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)C2(C(=O)[O-])CCOCC2)CCO1 ZINC001603792239 1018243052 /nfs/dbraw/zinc/24/30/52/1018243052.db2.gz NFBZJZXCFYBHQS-JTQLQIEISA-N -1 0 315.322 -0.342 20 0 DBADRM CCOC(=O)[C@@H]1[C@@H]2CCN([C@@H]3CCN(CC(=O)[O-])C3=O)C[C@@H]21 ZINC001603805701 1018243198 /nfs/dbraw/zinc/24/31/98/1018243198.db2.gz BDSDEUNVHSHJIB-LSCVPOLPSA-N -1 0 310.350 -0.197 20 0 DBADRM CCOC(=O)C[C@H](C)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603793419 1018243824 /nfs/dbraw/zinc/24/38/24/1018243824.db2.gz HJRXJDNUHOCXIG-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)N[C@H](Cn2cncn2)C(=O)[O-])CC1=O ZINC001603814545 1018245998 /nfs/dbraw/zinc/24/59/98/1018245998.db2.gz JEQYVVUIXADNRD-WDEREUQCSA-N -1 0 323.353 -0.648 20 0 DBADRM CC(C)COC[C@H](O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001603822972 1018246278 /nfs/dbraw/zinc/24/62/78/1018246278.db2.gz WUNQNHDYOATCNZ-NWDGAFQWSA-N -1 0 323.411 -0.406 20 0 DBADRM CC1(NC(=O)CCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC1 ZINC001603813527 1018246990 /nfs/dbraw/zinc/24/69/90/1018246990.db2.gz WVWWUOSHJBEGGK-UHFFFAOYSA-N -1 0 305.298 -0.812 20 0 DBADRM C[C@@]1(CO)C[C@@H](O)CN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001603808651 1018247706 /nfs/dbraw/zinc/24/77/06/1018247706.db2.gz RHIQYGNWFYDNMY-OTYXRUKQSA-N -1 0 319.321 -0.470 20 0 DBADRM CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)[C@@H](OC)C(=O)[O-])n1 ZINC001603819334 1018248123 /nfs/dbraw/zinc/24/81/23/1018248123.db2.gz VANJHFMPYKPJKA-PHDIDXHHSA-N -1 0 300.271 -0.742 20 0 DBADRM CCO[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001603829701 1018248735 /nfs/dbraw/zinc/24/87/35/1018248735.db2.gz YBKSBCNWAUDDAY-JTQLQIEISA-N -1 0 324.337 -0.066 20 0 DBADRM CCO[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001603829702 1018249496 /nfs/dbraw/zinc/24/94/96/1018249496.db2.gz YBKSBCNWAUDDAY-SNVBAGLBSA-N -1 0 324.337 -0.066 20 0 DBADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)Cn1ncn2nccc2c1=O ZINC001603832045 1018250506 /nfs/dbraw/zinc/25/05/06/1018250506.db2.gz VNCQKYZWVTVVIU-NSHDSACASA-N -1 0 321.337 -0.151 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603829018 1018250817 /nfs/dbraw/zinc/25/08/17/1018250817.db2.gz NNMKPTGMSXHHSQ-NWDGAFQWSA-N -1 0 324.333 -0.143 20 0 DBADRM C[C@@H]1C[C@H](C)CN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603846350 1018252267 /nfs/dbraw/zinc/25/22/67/1018252267.db2.gz IZSJFFKXFYSFQM-DTWKUNHWSA-N -1 0 305.346 -0.102 20 0 DBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1c1ccnc(-c2nnn[n-]2)n1 ZINC001603856655 1018253469 /nfs/dbraw/zinc/25/34/69/1018253469.db2.gz VENKMKXTAMXLNR-MNOVXSKESA-N -1 0 316.369 -0.044 20 0 DBADRM CCOCCOC[C@H](O)CNC(=O)C1(C(=O)[O-])CC=CC1 ZINC001603842496 1018254281 /nfs/dbraw/zinc/25/42/81/1018254281.db2.gz VHOKQHDULJOTHN-LLVKDONJSA-N -1 0 301.339 -0.062 20 0 DBADRM CC(C)N1CC(n2cc(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])nn2)C1 ZINC001603886492 1018256812 /nfs/dbraw/zinc/25/68/12/1018256812.db2.gz ABNFUWCKHPNCNB-RYUDHWBXSA-N -1 0 307.354 -0.120 20 0 DBADRM C[C@@H]1C[C@H]1c1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n[nH]1 ZINC001603871530 1018256932 /nfs/dbraw/zinc/25/69/32/1018256932.db2.gz OKUYBQOIGFZROC-RNFRBKRXSA-N -1 0 314.313 -0.057 20 0 DBADRM CC(C)N(CCc1noc([C@@H](N)CC(=O)[O-])n1)S(C)(=O)=O ZINC001603883195 1018257939 /nfs/dbraw/zinc/25/79/39/1018257939.db2.gz PTABTGJKFICKKO-QMMMGPOBSA-N -1 0 320.371 -0.243 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C1=O ZINC001603887784 1018258065 /nfs/dbraw/zinc/25/80/65/1018258065.db2.gz IKDMHBJRHWZLLA-AXFHLTTASA-N -1 0 313.354 -0.121 20 0 DBADRM CCOc1cnc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cn1 ZINC001603885223 1018258301 /nfs/dbraw/zinc/25/83/01/1018258301.db2.gz OTZBVBMUNNFYMZ-SECBINFHSA-N -1 0 324.337 -0.073 20 0 DBADRM CCOc1nnc(CN2CCN(C(=O)C(=O)[O-])CC2)s1 ZINC001603886112 1018258426 /nfs/dbraw/zinc/25/84/26/1018258426.db2.gz VHVLZKLRUNXTSY-UHFFFAOYSA-N -1 0 300.340 -0.334 20 0 DBADRM C[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC1 ZINC001603898224 1018259763 /nfs/dbraw/zinc/25/97/63/1018259763.db2.gz NKLPOGDONKNZOS-MRVPVSSYSA-N -1 0 305.342 -0.120 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001603894810 1018259869 /nfs/dbraw/zinc/25/98/69/1018259869.db2.gz VFBLVFKKMRGLGH-BXKDBHETSA-N -1 0 322.383 -0.736 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001603904904 1018260078 /nfs/dbraw/zinc/26/00/78/1018260078.db2.gz MBUSXOPHPVZSNQ-VHSXEESVSA-N -1 0 321.399 -0.564 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(CC2(CC(=O)[O-])CC2)CC1 ZINC001603896959 1018260786 /nfs/dbraw/zinc/26/07/86/1018260786.db2.gz RNTGEIXSDZBPAA-UHFFFAOYSA-N -1 0 311.382 -0.090 20 0 DBADRM CC(C)NC(=O)OC1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001603902689 1018261291 /nfs/dbraw/zinc/26/12/91/1018261291.db2.gz HUJBZWHBORKZCZ-WAAGHKOSSA-N -1 0 320.367 -0.002 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001603896915 1018261306 /nfs/dbraw/zinc/26/13/06/1018261306.db2.gz OFASIWWGLTWQRM-UHFFFAOYSA-N -1 0 321.337 -0.652 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(c2ncncc2C(=O)[O-])CC1 ZINC001603896674 1018261388 /nfs/dbraw/zinc/26/13/88/1018261388.db2.gz ADFVYTOIPBREQP-UHFFFAOYSA-N -1 0 321.337 -0.652 20 0 DBADRM C[C@H]1CCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001603899518 1018261404 /nfs/dbraw/zinc/26/14/04/1018261404.db2.gz FVFAAAWDHJCSFE-VIFPVBQESA-N -1 0 321.345 -0.721 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)C1CN(S(C)(=O)=O)C1 ZINC001603916820 1018262198 /nfs/dbraw/zinc/26/21/98/1018262198.db2.gz OKZJQVWICHDHBW-SNVBAGLBSA-N -1 0 322.383 -0.786 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)CCC1=O ZINC001603939209 1018264145 /nfs/dbraw/zinc/26/41/45/1018264145.db2.gz RDGKLKWAZWJCRB-QMMMGPOBSA-N -1 0 322.350 -0.139 20 0 DBADRM C[C@@H]1COCC[C@H]1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603946934 1018264919 /nfs/dbraw/zinc/26/49/19/1018264919.db2.gz FCVACXASMBINBZ-RKDXNWHRSA-N -1 0 321.345 -0.818 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001603960063 1018268406 /nfs/dbraw/zinc/26/84/06/1018268406.db2.gz VPFNHJOOIUKJMK-LBPRGKRZSA-N -1 0 307.368 -0.050 20 0 DBADRM CC(C)Oc1cncc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])c1 ZINC001603957774 1018269623 /nfs/dbraw/zinc/26/96/23/1018269623.db2.gz ZJZIZKSAOIBDHS-GFCCVEGCSA-N -1 0 318.351 -0.017 20 0 DBADRM CC(C)S(=O)(=O)CCCN1[C@H](C(=O)[O-])CCS1(=O)=O ZINC001603959945 1018269633 /nfs/dbraw/zinc/26/96/33/1018269633.db2.gz LWDQJQVCHSFSFX-VIFPVBQESA-N -1 0 313.397 -0.312 20 0 DBADRM CC[C@H](NC(=O)Nc1ccc(S(C)(=O)=O)nn1)C(=O)[O-] ZINC001603951571 1018269870 /nfs/dbraw/zinc/26/98/70/1018269870.db2.gz HIUCFXCQEZFRPE-LURJTMIESA-N -1 0 302.312 -0.135 20 0 DBADRM CCC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001603967334 1018270706 /nfs/dbraw/zinc/27/07/06/1018270706.db2.gz LRRDYDPGLXWGDO-VIFPVBQESA-N -1 0 320.357 -0.678 20 0 DBADRM CC(C)Oc1cncc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])c1 ZINC001603957778 1018272667 /nfs/dbraw/zinc/27/26/67/1018272667.db2.gz ZJZIZKSAOIBDHS-LBPRGKRZSA-N -1 0 318.351 -0.017 20 0 DBADRM CC(C)[C@H](NC(=O)CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)C(=O)[O-] ZINC001603972929 1018273164 /nfs/dbraw/zinc/27/31/64/1018273164.db2.gz PGTDNKSZNIAPMI-XRRVDJEJSA-N -1 0 311.382 -0.202 20 0 DBADRM CCc1ccc(NC(=O)[C@@H](OC)C(=O)[O-])cc1S(N)(=O)=O ZINC001603974920 1018273431 /nfs/dbraw/zinc/27/34/31/1018273431.db2.gz QGZPUHOPNQKDNJ-SNVBAGLBSA-N -1 0 316.335 -0.066 20 0 DBADRM CC[C@H](C[C@@H](C)CO)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001604014961 1018277620 /nfs/dbraw/zinc/27/76/20/1018277620.db2.gz BJLMFFVZDJACFT-RKDXNWHRSA-N -1 0 308.346 -0.629 20 0 DBADRM CC[C@@H](C)[C@@H](OC)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603998133 1018279207 /nfs/dbraw/zinc/27/92/07/1018279207.db2.gz CCSYFHWKZYXATB-RKDXNWHRSA-N -1 0 308.346 -0.365 20 0 DBADRM CC[C@@H](C[C@@H](C)CO)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001604014945 1018280510 /nfs/dbraw/zinc/28/05/10/1018280510.db2.gz BJLMFFVZDJACFT-BDAKNGLRSA-N -1 0 308.346 -0.629 20 0 DBADRM CN(C)C(=O)c1ccc(=O)n([C@@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC001604046035 1018282144 /nfs/dbraw/zinc/28/21/44/1018282144.db2.gz PUDHHFYIXHJOBI-SNVBAGLBSA-N -1 0 307.306 -0.592 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1 ZINC001604040578 1018282333 /nfs/dbraw/zinc/28/23/33/1018282333.db2.gz GFMRBJYNRPPORD-QMMMGPOBSA-N -1 0 309.326 -0.064 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001604045183 1018282512 /nfs/dbraw/zinc/28/25/12/1018282512.db2.gz GIRXDIOKVVPUDU-JGVFFNPUSA-N -1 0 308.321 -0.257 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001604040850 1018284253 /nfs/dbraw/zinc/28/42/53/1018284253.db2.gz LFSUAFUAHXGFFL-SNVBAGLBSA-N -1 0 321.399 -0.779 20 0 DBADRM C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001604050148 1018286912 /nfs/dbraw/zinc/28/69/12/1018286912.db2.gz NNMCHCNHRHLILH-SCZZXKLOSA-N -1 0 324.337 -0.256 20 0 DBADRM CC(C)n1[nH]cnc1=NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001604048229 1018287246 /nfs/dbraw/zinc/28/72/46/1018287246.db2.gz QFTIGGHTEDDJNX-VHSXEESVSA-N -1 0 323.353 -0.211 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)CN1C(=O)CNC1=O)c1ccccn1 ZINC001604077680 1018289762 /nfs/dbraw/zinc/28/97/62/1018289762.db2.gz IQVJJXAMRNMWEH-CQSZACIVSA-N -1 0 320.305 -0.561 20 0 DBADRM CC[C@H](O)Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C2CC2)c1=O ZINC001604067174 1018290908 /nfs/dbraw/zinc/29/09/08/1018290908.db2.gz VZWGSPGDCRXKDM-VIFPVBQESA-N -1 0 306.326 -0.396 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)Cn1cnc(N)n1)c1ccccn1 ZINC001604078265 1018292207 /nfs/dbraw/zinc/29/22/07/1018292207.db2.gz QQTQUYZHQGZNDQ-ZDUSSCGKSA-N -1 0 304.310 -0.238 20 0 DBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)CCC(=O)[O-])CC1 ZINC001604075387 1018292907 /nfs/dbraw/zinc/29/29/07/1018292907.db2.gz DXSZLPWLENUWGU-UHFFFAOYSA-N -1 0 307.372 -0.808 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCO[C@H](CN2CCOCC2)C1 ZINC001604096617 1018293762 /nfs/dbraw/zinc/29/37/62/1018293762.db2.gz KFOBIGPKLXZUIF-NWDGAFQWSA-N -1 0 300.355 -0.343 20 0 DBADRM CC[C@@]1(Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCOC1 ZINC001604092972 1018293808 /nfs/dbraw/zinc/29/38/08/1018293808.db2.gz ZJVUDZRVBXLVTL-CYBMUJFWSA-N -1 0 321.341 -0.755 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC001604103913 1018295600 /nfs/dbraw/zinc/29/56/00/1018295600.db2.gz QVEOYONMLQWLPY-NEPJUHHUSA-N -1 0 302.371 -0.361 20 0 DBADRM CC[C@]1(CO)CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001604091219 1018296179 /nfs/dbraw/zinc/29/61/79/1018296179.db2.gz XTRPAELCYVGCCR-GFCCVEGCSA-N -1 0 306.330 -0.778 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2coc(C(N)=O)c2)CC1 ZINC001604114612 1018297087 /nfs/dbraw/zinc/29/70/87/1018297087.db2.gz NWHRKXXCJGETKZ-VIFPVBQESA-N -1 0 309.322 -0.001 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001604124967 1018300409 /nfs/dbraw/zinc/30/04/09/1018300409.db2.gz HIYVTQAMNWWAFU-CIUDSAMLSA-N -1 0 321.337 -0.833 20 0 DBADRM CC/C=C\CCn1c(=O)c(-c2nnn[n-]2)cn(CCO)c1=O ZINC001604118571 1018301071 /nfs/dbraw/zinc/30/10/71/1018301071.db2.gz IQCSVDZYSCOUDE-ARJAWSKDSA-N -1 0 306.326 -0.461 20 0 DBADRM C[C@@]1(NC(=O)CCc2cn[nH]n2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500261075 1018300988 /nfs/dbraw/zinc/30/09/88/1018300988.db2.gz GGFWUDIDGUZHIY-CYBMUJFWSA-N -1 0 320.357 -0.658 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@@H](CC)O1 ZINC001604110428 1018301145 /nfs/dbraw/zinc/30/11/45/1018301145.db2.gz IUCNULMVKNRKSD-NXEZZACHSA-N -1 0 320.357 -0.126 20 0 DBADRM CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001604125041 1018301699 /nfs/dbraw/zinc/30/16/99/1018301699.db2.gz XQOZGGRVFTVUGE-RQJHMYQMSA-N -1 0 312.244 -0.699 20 0 DBADRM CCC[C@@](C)(O)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001604128857 1018302158 /nfs/dbraw/zinc/30/21/58/1018302158.db2.gz QFUIVMHMNIKEKK-GFCCVEGCSA-N -1 0 323.361 -0.692 20 0 DBADRM CCC[C@H](C)NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001604138528 1018302233 /nfs/dbraw/zinc/30/22/33/1018302233.db2.gz ZRXFBUBOLKSMSU-ZETCQYMHSA-N -1 0 307.314 -0.566 20 0 DBADRM C[C@@](CCF)(NC(=O)[C@@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001604140955 1018302312 /nfs/dbraw/zinc/30/23/12/1018302312.db2.gz XKZAVDYMULUNHX-KRTXAFLBSA-N -1 0 300.290 -0.135 20 0 DBADRM CN(C)c1ccc(CNC(=O)C(=O)N(C)CCC(=O)[O-])cn1 ZINC001604133701 1018302849 /nfs/dbraw/zinc/30/28/49/1018302849.db2.gz GTGSWPWKECHYHP-UHFFFAOYSA-N -1 0 308.338 -0.303 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001604125273 1018303064 /nfs/dbraw/zinc/30/30/64/1018303064.db2.gz NAYJHZSEZKNLTP-RKDXNWHRSA-N -1 0 309.326 -0.349 20 0 DBADRM C[C@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1COCCO1 ZINC001604141239 1018303375 /nfs/dbraw/zinc/30/33/75/1018303375.db2.gz GTPRVTZIWFKNJC-KOLCDFICSA-N -1 0 324.337 -0.103 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCCc1cn2c(n1)CCCC2 ZINC001604133673 1018303391 /nfs/dbraw/zinc/30/33/91/1018303391.db2.gz DUAKOANVJWZPRQ-UHFFFAOYSA-N -1 0 322.365 -0.189 20 0 DBADRM CCC[C@H](C)[C@@H](CO)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001604134259 1018303424 /nfs/dbraw/zinc/30/34/24/1018303424.db2.gz DPCWHUWFBKDVQX-DTWKUNHWSA-N -1 0 308.346 -0.629 20 0 DBADRM C[C@]1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCN(CCF)C1 ZINC001500267150 1018303358 /nfs/dbraw/zinc/30/33/58/1018303358.db2.gz AHRSOVCRHIUTQS-AWEZNQCLSA-N -1 0 322.344 -0.379 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001604126901 1018303866 /nfs/dbraw/zinc/30/38/66/1018303866.db2.gz MPFJAZBWSYFSTO-JQWIXIFHSA-N -1 0 304.368 -0.394 20 0 DBADRM CN(C)c1ncc(CN(C)C(=O)C(=O)N(C)CCC(=O)[O-])cn1 ZINC001604134196 1018304049 /nfs/dbraw/zinc/30/40/49/1018304049.db2.gz VPSPXZNRAZVTCP-UHFFFAOYSA-N -1 0 323.353 -0.566 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)Cc1cc[nH]n1 ZINC001604142777 1018305770 /nfs/dbraw/zinc/30/57/70/1018305770.db2.gz XMJFQIKOSODWPB-VIFPVBQESA-N -1 0 318.337 -0.131 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC001604155261 1018305918 /nfs/dbraw/zinc/30/59/18/1018305918.db2.gz ATEQSXHGDRIXNY-UHFFFAOYSA-N -1 0 321.333 -0.024 20 0 DBADRM C[C@H](CN(C(=O)[C@H]1CCN=C2C1=NNN2C)C1CC1)C(=O)[O-] ZINC001604150052 1018307830 /nfs/dbraw/zinc/30/78/30/1018307830.db2.gz PCRLYBLKZFYFBW-SCZZXKLOSA-N -1 0 307.354 -0.078 20 0 DBADRM C[C@@H](CN(C)C(=O)CCCC(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001604154126 1018307862 /nfs/dbraw/zinc/30/78/62/1018307862.db2.gz CXSRRECMXQKSJA-VIFPVBQESA-N -1 0 323.353 -0.489 20 0 DBADRM C[C@H](CN1CCOCC1)C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001604166384 1018308675 /nfs/dbraw/zinc/30/86/75/1018308675.db2.gz AQEOUHRSCOKTPT-VXGBXAGGSA-N -1 0 300.355 -0.343 20 0 DBADRM C[C@@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)[C@H](C)NC(N)=O ZINC001604159453 1018308988 /nfs/dbraw/zinc/30/89/88/1018308988.db2.gz SWAOCUNCJXZCPC-YUMQZZPRSA-N -1 0 324.341 -0.828 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cnon1)Nc1ccnc(C(=O)[O-])n1 ZINC001604158547 1018309141 /nfs/dbraw/zinc/30/91/41/1018309141.db2.gz ZETJMEOSVBBQAB-ZETCQYMHSA-N -1 0 306.282 -0.448 20 0 DBADRM C[C@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1COCCO1 ZINC001604158982 1018310235 /nfs/dbraw/zinc/31/02/35/1018310235.db2.gz HKYCJFASBCWJFT-MWLCHTKSSA-N -1 0 324.337 -0.469 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H]1C[C@H]2CCCCN2C1=O)C(=O)[O-] ZINC001604210641 1018322088 /nfs/dbraw/zinc/32/20/88/1018322088.db2.gz NUNHOGMKDYFHPU-OPRDCNLKSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@H](CNC(=O)Cn1ccnc1)Nc1ccnc(C(=O)[O-])n1 ZINC001604174688 1018311377 /nfs/dbraw/zinc/31/13/77/1018311377.db2.gz UNOYPOTUNZNMDV-SECBINFHSA-N -1 0 304.310 -0.590 20 0 DBADRM C[C@H](CNC(=O)C[C@@H]1CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001604174534 1018311744 /nfs/dbraw/zinc/31/17/44/1018311744.db2.gz VZOVYYCFBXONAT-ZJUUUORDSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@@H](CNC(=O)[C@H](C)CC(N)=O)CNc1ncc(C(=O)[O-])cn1 ZINC001604172204 1018311830 /nfs/dbraw/zinc/31/18/30/1018311830.db2.gz SCGXNSSKUIQBGE-DTWKUNHWSA-N -1 0 323.353 -0.150 20 0 DBADRM CN(CCN(C)C(=O)OC(C)(C)C)CC(=O)NCC(=O)[O-] ZINC001604175011 1018312472 /nfs/dbraw/zinc/31/24/72/1018312472.db2.gz SVDUNSOYZGLVOK-UHFFFAOYSA-N -1 0 303.359 -0.014 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)Nc1ncc(C(=O)[O-])cn1 ZINC001604172697 1018312838 /nfs/dbraw/zinc/31/28/38/1018312838.db2.gz AXCRWZFMUKCOCK-DTWKUNHWSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@H](CNC(=O)C1=COCCO1)Nc1ncc(C(=O)[O-])cn1 ZINC001604173023 1018312889 /nfs/dbraw/zinc/31/28/89/1018312889.db2.gz KVFKKERVIGTVRJ-MRVPVSSYSA-N -1 0 308.294 -0.020 20 0 DBADRM C[C@H](CS(=O)(=O)NC[C@@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC001604210613 1018322460 /nfs/dbraw/zinc/32/24/60/1018322460.db2.gz XYRNNBZTNXDSSE-BDAKNGLRSA-N -1 0 307.372 -0.583 20 0 DBADRM C[C@H](CNC(=O)Cn1cncn1)N(C)c1ncc(C(=O)[O-])cn1 ZINC001604174006 1018313253 /nfs/dbraw/zinc/31/32/53/1018313253.db2.gz HRUUWNCHHPIEQS-SECBINFHSA-N -1 0 319.325 -0.593 20 0 DBADRM C[C@H](CNC(=O)C[C@H]1CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001604174531 1018313264 /nfs/dbraw/zinc/31/32/64/1018313264.db2.gz VZOVYYCFBXONAT-NXEZZACHSA-N -1 0 308.338 -0.060 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001500308011 1018314079 /nfs/dbraw/zinc/31/40/79/1018314079.db2.gz JOISOBGYMHTJCT-RNFRBKRXSA-N -1 0 315.305 -0.487 20 0 DBADRM C[C@H](CNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)S(N)(=O)=O ZINC001604178705 1018314230 /nfs/dbraw/zinc/31/42/30/1018314230.db2.gz NBKHIFSXTGHRMM-LEQIOUOKSA-N -1 0 305.356 -0.784 20 0 DBADRM C[C@H](CNC(=O)c1cn(C)cn1)CNc1ccnc(C(=O)[O-])n1 ZINC001604183516 1018315457 /nfs/dbraw/zinc/31/54/57/1018315457.db2.gz KEGRTJAJRADRKM-VIFPVBQESA-N -1 0 318.337 -0.192 20 0 DBADRM C[C@H](CNC(=O)c1cn(C)nn1)CNc1ncc(C(=O)[O-])cn1 ZINC001604183038 1018315568 /nfs/dbraw/zinc/31/55/68/1018315568.db2.gz AROAHMWWGUJZAK-MRVPVSSYSA-N -1 0 319.325 -0.219 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001604181304 1018315621 /nfs/dbraw/zinc/31/56/21/1018315621.db2.gz SNTOWWWCHIQTOI-VXNVDRBHSA-N -1 0 307.310 -0.630 20 0 DBADRM C[C@H](CNC(=O)c1cnc[nH]c1=O)Nc1ccnc(C(=O)[O-])n1 ZINC001604183246 1018315693 /nfs/dbraw/zinc/31/56/93/1018315693.db2.gz IOMNADZLYRQLCW-SSDOTTSWSA-N -1 0 318.293 -0.677 20 0 DBADRM C[C@H](CNS(=O)(=O)CCCCCC(=O)[O-])S(C)(=O)=O ZINC001604186158 1018315789 /nfs/dbraw/zinc/31/57/89/1018315789.db2.gz QTRSUQODVOWHSE-SECBINFHSA-N -1 0 315.413 -0.016 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001604180804 1018315799 /nfs/dbraw/zinc/31/57/99/1018315799.db2.gz VWYJKNAFCAXAMY-UHFFFAOYSA-N -1 0 316.335 -0.490 20 0 DBADRM CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)C1(C(=O)[O-])CC=CC1 ZINC001604195255 1018316687 /nfs/dbraw/zinc/31/66/87/1018316687.db2.gz OLPWBKDNQCKPHO-UHFFFAOYSA-N -1 0 317.305 -0.203 20 0 DBADRM C[C@](CO)(NC(=O)Cn1ccc(=O)c2ccccc21)C(=O)[O-] ZINC001604193123 1018317254 /nfs/dbraw/zinc/31/72/54/1018317254.db2.gz DWUMYRHQTFGFJD-OAHLLOKOSA-N -1 0 304.302 -0.047 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001604197261 1018317295 /nfs/dbraw/zinc/31/72/95/1018317295.db2.gz PRMDZCBFSFOJBM-AWEZNQCLSA-N -1 0 308.338 -0.298 20 0 DBADRM CN(Cc1ncc[nH]1)C(=O)NCCOCCOCC(=O)[O-] ZINC001604195607 1018317718 /nfs/dbraw/zinc/31/77/18/1018317718.db2.gz RXHGHGQAJWUFLI-UHFFFAOYSA-N -1 0 300.315 -0.331 20 0 DBADRM C[C@](CO)(NC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)[O-] ZINC001604193333 1018317794 /nfs/dbraw/zinc/31/77/94/1018317794.db2.gz LAUMGLMNHWIMAV-GFCCVEGCSA-N -1 0 316.335 -0.377 20 0 DBADRM C[C@](CO)(NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)[O-] ZINC001604193302 1018318202 /nfs/dbraw/zinc/31/82/02/1018318202.db2.gz JRZAHNNWALQDPA-OAHLLOKOSA-N -1 0 320.301 -0.095 20 0 DBADRM C[C@](CO)(NS(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1)C(=O)[O-] ZINC001604199205 1018319822 /nfs/dbraw/zinc/31/98/22/1018319822.db2.gz VQUMWBPWUZOKEH-JBLDHEPKSA-N -1 0 307.368 -0.301 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001604210843 1018322416 /nfs/dbraw/zinc/32/24/16/1018322416.db2.gz LPMUFIYLYIENHR-WCBMZHEXSA-N -1 0 322.383 -0.713 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@H]1C[C@H]2CCCCN2C1=O)C(=O)[O-] ZINC001604210638 1018322614 /nfs/dbraw/zinc/32/26/14/1018322614.db2.gz NUNHOGMKDYFHPU-BBBLOLIVSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@H](C[S@@](C)=O)N(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001604210488 1018323675 /nfs/dbraw/zinc/32/36/75/1018323675.db2.gz GQSPTHIAOMQNBI-QONUSYMYSA-N -1 0 318.395 -0.465 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN([S@@](C)(=N)=O)CC1)C(=O)[O-] ZINC001604211782 1018325115 /nfs/dbraw/zinc/32/51/15/1018325115.db2.gz WJEAWVGLMNFGII-DCXZOGHSSA-N -1 0 313.401 -0.754 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001604211867 1018325518 /nfs/dbraw/zinc/32/55/18/1018325518.db2.gz YSXMFGMINBPAOG-SKDRFNHKSA-N -1 0 307.368 -0.193 20 0 DBADRM CCCOC(=O)CCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604227041 1018327006 /nfs/dbraw/zinc/32/70/06/1018327006.db2.gz UWPZFIYMBBCOBX-QMMMGPOBSA-N -1 0 322.329 -0.521 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN([S@](C)(=N)=O)CC1)C(=O)[O-] ZINC001604211780 1018327276 /nfs/dbraw/zinc/32/72/76/1018327276.db2.gz WJEAWVGLMNFGII-CVJBHZAOSA-N -1 0 313.401 -0.754 20 0 DBADRM CN1CCN(C(=O)CNC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001604220980 1018327349 /nfs/dbraw/zinc/32/73/49/1018327349.db2.gz MYTFEQMGZWQWAC-UHFFFAOYSA-N -1 0 306.322 -0.716 20 0 DBADRM CCCN1C[C@H](CNc2ccnc(-c3nnn[n-]3)n2)CC1=O ZINC001604221221 1018327650 /nfs/dbraw/zinc/32/76/50/1018327650.db2.gz XWDFUFUXIYHEFC-VIFPVBQESA-N -1 0 302.342 -0.251 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC001604240408 1018329022 /nfs/dbraw/zinc/32/90/22/1018329022.db2.gz CPKPQQDOVJYZKR-SNVBAGLBSA-N -1 0 322.321 -0.450 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC001604227351 1018329172 /nfs/dbraw/zinc/32/91/72/1018329172.db2.gz BSZKRGBNGUONPT-VXGBXAGGSA-N -1 0 306.318 -0.344 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)CCCn1cncn1)C(=O)[O-] ZINC001604241081 1018330010 /nfs/dbraw/zinc/33/00/10/1018330010.db2.gz AEDRMDQJQDDJSL-CYBMUJFWSA-N -1 0 306.326 -0.086 20 0 DBADRM C[C@](Cn1cccn1)(NS(=O)(=O)C[C@H]1CCOC1)C(=O)[O-] ZINC001604243229 1018331399 /nfs/dbraw/zinc/33/13/99/1018331399.db2.gz BXACTUHMNGVMCF-CMPLNLGQSA-N -1 0 317.367 -0.318 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001604246806 1018331517 /nfs/dbraw/zinc/33/15/17/1018331517.db2.gz IPZYBQAAAHSRDH-JTQLQIEISA-N -1 0 308.338 -0.289 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)c2cnc(C(=O)[O-])cn2)cn1 ZINC001604241604 1018331966 /nfs/dbraw/zinc/33/19/66/1018331966.db2.gz ZZCQGQHITMWIFG-UHFFFAOYSA-N -1 0 304.266 -0.630 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001604246780 1018332006 /nfs/dbraw/zinc/33/20/06/1018332006.db2.gz HKVPHTLZISJKTC-MNOVXSKESA-N -1 0 308.338 -0.289 20 0 DBADRM CNS(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001604248941 1018332208 /nfs/dbraw/zinc/33/22/08/1018332208.db2.gz BUEHSWACZHSBMO-DTWKUNHWSA-N -1 0 302.356 -0.626 20 0 DBADRM C[C@](Cn1cccn1)(NS(=O)(=O)Cc1ccon1)C(=O)[O-] ZINC001604245232 1018332444 /nfs/dbraw/zinc/33/24/44/1018332444.db2.gz XFKVNROXHCPWHG-LLVKDONJSA-N -1 0 314.323 -0.166 20 0 DBADRM CNC(=O)c1cccc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC001604247321 1018332542 /nfs/dbraw/zinc/33/25/42/1018332542.db2.gz MPGZXYFCMKKVOA-LLVKDONJSA-N -1 0 320.301 -0.112 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001604248847 1018332687 /nfs/dbraw/zinc/33/26/87/1018332687.db2.gz AJIUDVXJYCGMRK-UTLUCORTSA-N -1 0 319.383 -0.427 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001604249049 1018332706 /nfs/dbraw/zinc/33/27/06/1018332706.db2.gz DVQKDALYBNKTSX-BQBZGAKWSA-N -1 0 310.314 -0.261 20 0 DBADRM CNC(=O)N1CCN(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CC1 ZINC001604241534 1018332876 /nfs/dbraw/zinc/33/28/76/1018332876.db2.gz ZFKBUVYUJGVCCV-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)C1CCC(F)CC1 ZINC001604255701 1018333622 /nfs/dbraw/zinc/33/36/22/1018333622.db2.gz JJYHWMIGJDUFBY-XNWIYYODSA-N -1 0 316.329 -0.323 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C1(CO)CC1 ZINC001604260115 1018333897 /nfs/dbraw/zinc/33/38/97/1018333897.db2.gz BDQFCQIRGALWPS-SSDOTTSWSA-N -1 0 310.310 -0.666 20 0 DBADRM CC(F)(F)CCS(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001604250637 1018333960 /nfs/dbraw/zinc/33/39/60/1018333960.db2.gz HJBNLJAZSXRHJN-SSDOTTSWSA-N -1 0 314.310 -0.363 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)c1ncn(C)n1 ZINC001604255740 1018334308 /nfs/dbraw/zinc/33/43/08/1018334308.db2.gz KISUNDDVWNPGKY-CIUDSAMLSA-N -1 0 309.326 -0.686 20 0 DBADRM C[C@@H](Cn1cncn1)NS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001604250124 1018334583 /nfs/dbraw/zinc/33/45/83/1018334583.db2.gz STXYMBVTXSTSQE-QMMMGPOBSA-N -1 0 311.323 -0.262 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)c1ncn(C)n1 ZINC001604255742 1018334712 /nfs/dbraw/zinc/33/47/12/1018334712.db2.gz KISUNDDVWNPGKY-XHNCKOQMSA-N -1 0 309.326 -0.686 20 0 DBADRM CNS(=O)(=O)CCNC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001604249737 1018334840 /nfs/dbraw/zinc/33/48/40/1018334840.db2.gz QGYKRUGCLWVFHC-HWKANZROSA-N -1 0 302.308 -0.344 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001604250259 1018335147 /nfs/dbraw/zinc/33/51/47/1018335147.db2.gz VYHCXQNBHLFKPR-QMMMGPOBSA-N -1 0 320.309 -0.542 20 0 DBADRM COC(=O)[C@@H](C)CN(C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604262777 1018335901 /nfs/dbraw/zinc/33/59/01/1018335901.db2.gz NTURBUZOOWVPCX-VHSXEESVSA-N -1 0 314.338 -0.423 20 0 DBADRM CCN(C(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@H]1CCOC1 ZINC001604260721 1018336389 /nfs/dbraw/zinc/33/63/89/1018336389.db2.gz BFSRDHOTBUMRTN-VIFPVBQESA-N -1 0 321.345 -0.721 20 0 DBADRM C[C@@H](NC(=O)C1(C(N)=O)CC1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604265814 1018337598 /nfs/dbraw/zinc/33/75/98/1018337598.db2.gz UYNMUVZFEQENLO-JGVFFNPUSA-N -1 0 321.337 -0.833 20 0 DBADRM COC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604262776 1018337702 /nfs/dbraw/zinc/33/77/02/1018337702.db2.gz NTURBUZOOWVPCX-UWVGGRQHSA-N -1 0 314.338 -0.423 20 0 DBADRM COC(=O)C(C)(C)n1cc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cn1 ZINC001604263310 1018337715 /nfs/dbraw/zinc/33/77/15/1018337715.db2.gz YNKADTKHCWPKSO-VIFPVBQESA-N -1 0 324.293 -0.041 20 0 DBADRM COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001604268081 1018337912 /nfs/dbraw/zinc/33/79/12/1018337912.db2.gz QUUNRWHZWBNMAM-YFKPBYRVSA-N -1 0 324.215 -0.414 20 0 DBADRM C[C@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)[C@@H]1CN(C)CCO1 ZINC001604277089 1018339319 /nfs/dbraw/zinc/33/93/19/1018339319.db2.gz JEKIQLKKZFDHSP-JQWIXIFHSA-N -1 0 323.349 -0.618 20 0 DBADRM C[C@](NC(=O)CN1CC(=O)NC1=O)(C(=O)[O-])c1ccc(F)cc1 ZINC001604274686 1018339956 /nfs/dbraw/zinc/33/99/56/1018339956.db2.gz HCRDTKJOHIPZFR-CQSZACIVSA-N -1 0 323.280 -0.207 20 0 DBADRM C[C@@](NC(=O)CNC(=O)c1ncccc1O)(C(=O)[O-])C1CC1 ZINC001604273073 1018340040 /nfs/dbraw/zinc/34/00/40/1018340040.db2.gz NJXJZJXKDLEHNB-AWEZNQCLSA-N -1 0 307.306 -0.114 20 0 DBADRM C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1ncc(C(=O)[O-])s1 ZINC001604277148 1018340176 /nfs/dbraw/zinc/34/01/76/1018340176.db2.gz ICXUEDHJTOPZJF-WHFBIAKZSA-N -1 0 312.307 -0.383 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC001604276218 1018340615 /nfs/dbraw/zinc/34/06/15/1018340615.db2.gz VBWQUBPUUJTUOK-OAHLLOKOSA-N -1 0 323.301 -0.100 20 0 DBADRM C[C@@H](NC(=O)Cc1cc[nH]n1)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604277198 1018341109 /nfs/dbraw/zinc/34/11/09/1018341109.db2.gz JGVSDFKUBBNKCC-RKDXNWHRSA-N -1 0 318.337 -0.132 20 0 DBADRM C[C@H](NC(=O)N1C[C@H](O)[C@H](CO)C1)c1ncc(C(=O)[O-])s1 ZINC001604278736 1018342374 /nfs/dbraw/zinc/34/23/74/1018342374.db2.gz GCBPRCJNBAOAIS-FXQIFTODSA-N -1 0 315.351 -0.103 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC)CCN1CCS(=O)(=O)CC(=O)[O-] ZINC001604280524 1018342633 /nfs/dbraw/zinc/34/26/33/1018342633.db2.gz QJJFQESHGMKNLE-UWVGGRQHSA-N -1 0 323.367 -0.862 20 0 DBADRM C[C@H](NC(=O)N1CCSC[C@@H](C(=O)[O-])C1)C(=O)N(C)C ZINC001604281194 1018342737 /nfs/dbraw/zinc/34/27/37/1018342737.db2.gz BIFXSHPISGUHJS-IUCAKERBSA-N -1 0 303.384 -0.078 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2cc(C(=O)[O-])nn2C)C1 ZINC001604279518 1018343294 /nfs/dbraw/zinc/34/32/94/1018343294.db2.gz CZJXDUDHAUZGRZ-YUMQZZPRSA-N -1 0 311.294 -0.886 20 0 DBADRM C[C@@H](NC(=O)NCCC(=O)NCCC(=O)[O-])c1cnn(C)c1 ZINC001604290911 1018343631 /nfs/dbraw/zinc/34/36/31/1018343631.db2.gz KSVDFEVVHIRABF-SECBINFHSA-N -1 0 311.342 -0.239 20 0 DBADRM C[C@@H](NC(=O)NCCOCC(=O)[O-])[C@@H](C)N1CCOCC1 ZINC001604287752 1018343857 /nfs/dbraw/zinc/34/38/57/1018343857.db2.gz POHWIGUMIACVIP-GHMZBOCLSA-N -1 0 303.359 -0.504 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H](C)C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001604290760 1018343946 /nfs/dbraw/zinc/34/39/46/1018343946.db2.gz QGMNTPMPYPBLQX-HLTSFMKQSA-N -1 0 301.295 -0.340 20 0 DBADRM CCN(CC1CC1)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001604289103 1018343959 /nfs/dbraw/zinc/34/39/59/1018343959.db2.gz PFOZWTUFJCMHDZ-UHFFFAOYSA-N -1 0 305.346 -0.100 20 0 DBADRM COC(=O)[C@H]1C[C@@H](OC)CCN1CCS(=O)(=O)CC(=O)[O-] ZINC001604280525 1018344288 /nfs/dbraw/zinc/34/42/88/1018344288.db2.gz QJJFQESHGMKNLE-VHSXEESVSA-N -1 0 323.367 -0.862 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C[C@H]1CCOC[C@H]1OC ZINC001604302798 1018345270 /nfs/dbraw/zinc/34/52/70/1018345270.db2.gz BPCNVSKVCOCQHK-GHMZBOCLSA-N -1 0 317.338 -0.096 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CCCC(=O)N1C ZINC001604303550 1018345966 /nfs/dbraw/zinc/34/59/66/1018345966.db2.gz QWHSOBDSDKYHPK-VIFPVBQESA-N -1 0 300.311 -0.526 20 0 DBADRM CCN(CCC1CC1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604293580 1018346367 /nfs/dbraw/zinc/34/63/67/1018346367.db2.gz GUVVASJEMKPKDE-UHFFFAOYSA-N -1 0 305.342 -0.120 20 0 DBADRM COC(=O)C[C@@H](C)CC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001604299897 1018346518 /nfs/dbraw/zinc/34/65/18/1018346518.db2.gz YPBSKKGLGXMAHR-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM C[C@H](NC(=O)Nc1c(C(=O)[O-])cnn1C)C(=O)NCCF ZINC001604296361 1018346633 /nfs/dbraw/zinc/34/66/33/1018346633.db2.gz SGJYFQDTDDYJHB-LURJTMIESA-N -1 0 301.278 -0.286 20 0 DBADRM COC(=O)[C@H]1CSCCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001604293901 1018346753 /nfs/dbraw/zinc/34/67/53/1018346753.db2.gz ZTNLZFBWMJXYME-HTQZYQBOSA-N -1 0 302.308 -0.667 20 0 DBADRM COC(=O)C[C@H]1CCCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001604298729 1018347122 /nfs/dbraw/zinc/34/71/22/1018347122.db2.gz JUUVJFBUWLAREL-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])nn1C)C(=O)NCCF ZINC001604296519 1018347479 /nfs/dbraw/zinc/34/74/79/1018347479.db2.gz TVSMXNXGLWQHLM-ZCFIWIBFSA-N -1 0 301.278 -0.286 20 0 DBADRM C[C@@](NC(=O)c1ccc(S(N)(=O)=O)cn1)(C(=O)[O-])C1CC1 ZINC001604315286 1018348207 /nfs/dbraw/zinc/34/82/07/1018348207.db2.gz VJDBGRHIJSCWFS-LBPRGKRZSA-N -1 0 313.335 -0.288 20 0 DBADRM COC(=O)CCN1CCC[C@@H](OC(=O)[C@@H](C)C(=O)[O-])C1=O ZINC001604317320 1018348449 /nfs/dbraw/zinc/34/84/49/1018348449.db2.gz NDGYMBSOUMGUQV-DTWKUNHWSA-N -1 0 301.295 -0.196 20 0 DBADRM C[C@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1nnc2c(=O)[nH]ccn21 ZINC001604306265 1018348830 /nfs/dbraw/zinc/34/88/30/1018348830.db2.gz NWWXMLYZBIVYEG-BIIVOSGPSA-N -1 0 305.294 -0.294 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)N(C)[C@H](C)C1CC1 ZINC001604317157 1018348895 /nfs/dbraw/zinc/34/88/95/1018348895.db2.gz BCNIXPHJEJFBLY-SECBINFHSA-N -1 0 322.383 -0.089 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1ccoc1CC(N)=O ZINC001604311184 1018349951 /nfs/dbraw/zinc/34/99/51/1018349951.db2.gz NQPZWWJRJQQCBL-UHFFFAOYSA-N -1 0 312.278 -0.603 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001604303649 1018350154 /nfs/dbraw/zinc/35/01/54/1018350154.db2.gz VIGIUACVMIPTTD-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM C[C@H](NC(=O)c1cccs1)C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001604312393 1018350231 /nfs/dbraw/zinc/35/02/31/1018350231.db2.gz AHHHQLNLNFUMJU-UVPNAGLESA-N -1 0 312.347 -0.039 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)C[C@@H](OC)C1CC1)C(=O)[O-] ZINC001604321655 1018351446 /nfs/dbraw/zinc/35/14/46/1018351446.db2.gz BCPNQVYCBHUIHO-VHSXEESVSA-N -1 0 323.367 -0.263 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1)C(=O)[O-] ZINC001604318295 1018351997 /nfs/dbraw/zinc/35/19/97/1018351997.db2.gz RWGJQNOCFLTIST-AEJSXWLSSA-N -1 0 314.338 -0.199 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)N(C)CC(C)C ZINC001604317506 1018352008 /nfs/dbraw/zinc/35/20/08/1018352008.db2.gz YDQHOJMLDCPWGE-UHFFFAOYSA-N -1 0 310.372 -0.231 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H]1CCNC(=O)CC1)C(=O)[O-] ZINC001604318511 1018352778 /nfs/dbraw/zinc/35/27/78/1018352778.db2.gz XMSHMFYXNBZJBP-BDAKNGLRSA-N -1 0 300.311 -0.575 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@@H](C)N1C(=O)CCC1=O)C(=O)[O-] ZINC001604317949 1018353142 /nfs/dbraw/zinc/35/31/42/1018353142.db2.gz KYTNAHZDIHLQIY-SFYZADRCSA-N -1 0 314.294 -0.954 20 0 DBADRM COC(=O)CC[C@@H]1CC[C@H](C(=O)N[C@@]2(C(=O)[O-])CCOC2)O1 ZINC001604318025 1018353203 /nfs/dbraw/zinc/35/32/03/1018353203.db2.gz LVIDSYNCAVJNSQ-RBZYPMLTSA-N -1 0 315.322 -0.153 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)C2(C(=O)[O-])CCOCC2)n1 ZINC001604341569 1018354556 /nfs/dbraw/zinc/35/45/56/1018354556.db2.gz NOUQMJZPPYJILR-UHFFFAOYSA-N -1 0 311.294 -0.124 20 0 DBADRM C[C@@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)[C@H]1CN(C)CCO1 ZINC001604349170 1018354585 /nfs/dbraw/zinc/35/45/85/1018354585.db2.gz LDBBGHLCMRADIV-NXEZZACHSA-N -1 0 306.384 -0.368 20 0 DBADRM CCN1CC[C@@H](OC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1=O ZINC001604340929 1018355331 /nfs/dbraw/zinc/35/53/31/1018355331.db2.gz PBMXQFYILMXAEP-HTQZYQBOSA-N -1 0 320.313 -0.817 20 0 DBADRM C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)c1nnnn1C ZINC001604350472 1018356280 /nfs/dbraw/zinc/35/62/80/1018356280.db2.gz HHSUYEDXAVROAZ-SSDOTTSWSA-N -1 0 303.344 -0.555 20 0 DBADRM C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@H](O)C(F)(F)F ZINC001604351100 1018356397 /nfs/dbraw/zinc/35/63/97/1018356397.db2.gz MMJXXSGYBANYAV-VDTYLAMSSA-N -1 0 308.278 -0.461 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)C(N)=O ZINC001604355099 1018358442 /nfs/dbraw/zinc/35/84/42/1018358442.db2.gz CBQBGMIJASBNBR-ZCFIWIBFSA-N -1 0 304.299 -0.395 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])c1nnnn1C ZINC001604356153 1018359457 /nfs/dbraw/zinc/35/94/57/1018359457.db2.gz FCFIGPCZFLSVQZ-SSDOTTSWSA-N -1 0 311.323 -0.052 20 0 DBADRM C[C@](O)(C[C@@H](O)CN1CCNC(=O)[C@H]1CC(=O)[O-])C1CC1 ZINC001604368912 1018362796 /nfs/dbraw/zinc/36/27/96/1018362796.db2.gz FCSBDOBGXONCHK-GYSYKLTISA-N -1 0 300.355 -0.827 20 0 DBADRM C[C@H](Nc1ncc(C(=O)[O-])cn1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001604364777 1018363258 /nfs/dbraw/zinc/36/32/58/1018363258.db2.gz PMMSDMUUVWINDF-DTWKUNHWSA-N -1 0 321.337 -0.301 20 0 DBADRM C[C@@H](Nc1ncc(C(=O)[O-])cn1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001604364779 1018363713 /nfs/dbraw/zinc/36/37/13/1018363713.db2.gz PMMSDMUUVWINDF-RKDXNWHRSA-N -1 0 321.337 -0.301 20 0 DBADRM C[C@](O)(C[C@@H](O)CN1CCNC(=O)[C@@H]1CC(=O)[O-])C1CC1 ZINC001604368914 1018364122 /nfs/dbraw/zinc/36/41/22/1018364122.db2.gz FCSBDOBGXONCHK-SUNKGSAMSA-N -1 0 300.355 -0.827 20 0 DBADRM COC(=O)c1cc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)ccn1 ZINC001604368987 1018364154 /nfs/dbraw/zinc/36/41/54/1018364154.db2.gz HBCJZIBPOVXWML-JTQLQIEISA-N -1 0 322.273 -0.290 20 0 DBADRM C[C@](O)(CO)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001604376100 1018364624 /nfs/dbraw/zinc/36/46/24/1018364624.db2.gz HGTXSNPAMHETQF-CYBMUJFWSA-N -1 0 314.269 -0.678 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001604377093 1018364996 /nfs/dbraw/zinc/36/49/96/1018364996.db2.gz ACIDEUORERGECI-JTLRNRKASA-N -1 0 312.366 -0.121 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cccnc1 ZINC001500623870 1018365039 /nfs/dbraw/zinc/36/50/39/1018365039.db2.gz FXQZZVRAZVRXGF-AWEZNQCLSA-N -1 0 318.337 -0.728 20 0 DBADRM C[C@](O)(CNC(=O)[C@]1(C)Oc2ccccc2NC1=O)C(=O)[O-] ZINC001604373893 1018365057 /nfs/dbraw/zinc/36/50/57/1018365057.db2.gz PNNPAQVGYIFEAM-KBPBESRZSA-N -1 0 308.290 -0.272 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)NC[C@@](C)(O)CO ZINC001604376821 1018365231 /nfs/dbraw/zinc/36/52/31/1018365231.db2.gz SIPKPIMUBDKPJC-ISVAXAHUSA-N -1 0 320.342 -0.786 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001604378697 1018365660 /nfs/dbraw/zinc/36/56/60/1018365660.db2.gz PXYYZORFWAVLQR-UONOGXRCSA-N -1 0 312.297 -0.376 20 0 DBADRM C[C@](O)(CO)CNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001604376719 1018366119 /nfs/dbraw/zinc/36/61/19/1018366119.db2.gz PIJDAHMTDVXAOA-CYBMUJFWSA-N -1 0 314.269 -0.678 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001604378926 1018366639 /nfs/dbraw/zinc/36/66/39/1018366639.db2.gz PCVJUQJFIDCUJH-WIMUKIRHSA-N -1 0 302.302 -0.713 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)CCCn2ccc(C(=O)[O-])n2)CCO1 ZINC001604380102 1018366675 /nfs/dbraw/zinc/36/66/75/1018366675.db2.gz JPBGUIFUIRDNSD-CMPLNLGQSA-N -1 0 311.338 -0.030 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ocnc1C(=O)[O-] ZINC001604380241 1018367271 /nfs/dbraw/zinc/36/72/71/1018367271.db2.gz UPYQJXHCIYRSAG-IMTBSYHQSA-N -1 0 311.294 -0.735 20 0 DBADRM C[C@@H](O)CN(C(=O)Nc1cc(C(=O)[O-])n(C)n1)[C@H](C)CO ZINC001604387427 1018367390 /nfs/dbraw/zinc/36/73/90/1018367390.db2.gz WEHKFNCJGQBCNF-HTQZYQBOSA-N -1 0 300.315 -0.286 20 0 DBADRM C[C@H](O)CN1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001604387486 1018367563 /nfs/dbraw/zinc/36/75/63/1018367563.db2.gz PYSBMOCRMGVNRN-JTQLQIEISA-N -1 0 308.400 -0.575 20 0 DBADRM C[C@@H](O)[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCO1 ZINC001604380289 1018367640 /nfs/dbraw/zinc/36/76/40/1018367640.db2.gz KUPWJEYLSWYMTI-XCBNKYQSSA-N -1 0 304.324 -0.517 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001604387443 1018367657 /nfs/dbraw/zinc/36/76/57/1018367657.db2.gz WMQLPGSGICABCF-LURJTMIESA-N -1 0 310.353 -0.795 20 0 DBADRM C[C@@H](O)CN(C)C(=O)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001604387085 1018368675 /nfs/dbraw/zinc/36/86/75/1018368675.db2.gz RBJMAWWKDIFDLN-UEKVPHQBSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](O)CN(CC(F)F)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001604386201 1018368807 /nfs/dbraw/zinc/36/88/07/1018368807.db2.gz DDTWXGKBRUJFCI-SSDOTTSWSA-N -1 0 304.315 -0.414 20 0 DBADRM C[C@@H](O)CN1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001604387487 1018368822 /nfs/dbraw/zinc/36/88/22/1018368822.db2.gz PYSBMOCRMGVNRN-SNVBAGLBSA-N -1 0 308.400 -0.575 20 0 DBADRM C[C@@H](O)CN1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)[C@@H](C)C1 ZINC001604387372 1018368990 /nfs/dbraw/zinc/36/89/90/1018368990.db2.gz OCSHVMKCHHGSCY-WDEREUQCSA-N -1 0 320.411 -0.290 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001604384908 1018369087 /nfs/dbraw/zinc/36/90/87/1018369087.db2.gz YPQXECZLRIHLAJ-ZIQFBCGOSA-N -1 0 312.366 -0.169 20 0 DBADRM C[C@@H](OC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)C(=O)[O-] ZINC001604392929 1018370593 /nfs/dbraw/zinc/37/05/93/1018370593.db2.gz NVMJDNMUSLNHDL-SVRRBLITSA-N -1 0 309.340 -0.464 20 0 DBADRM CCOC(=O)c1noc(Cn2ccc(-c3nnn[n-]3)cc2=O)n1 ZINC001604392949 1018371050 /nfs/dbraw/zinc/37/10/50/1018371050.db2.gz KFBJQGOITZJSOP-UHFFFAOYSA-N -1 0 317.265 -0.364 20 0 DBADRM C[C@@H](OC[C@H]1CCCO1)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC001604393652 1018371466 /nfs/dbraw/zinc/37/14/66/1018371466.db2.gz SETKGZWOWJGPMP-IVZWLZJFSA-N -1 0 303.311 -0.297 20 0 DBADRM C[C@@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)NCC(=O)[O-] ZINC001604395893 1018372094 /nfs/dbraw/zinc/37/20/94/1018372094.db2.gz ALRNMRBVHLGVAO-HTQZYQBOSA-N -1 0 305.308 -0.933 20 0 DBADRM C[C@H](OC(=O)C(C)(C)C(N)=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001604394634 1018372226 /nfs/dbraw/zinc/37/22/26/1018372226.db2.gz ZOSCZFAVQCJJOJ-QMMMGPOBSA-N -1 0 314.338 -0.247 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)O[C@@H](C)C(=O)C(=O)[O-] ZINC001604406056 1018373575 /nfs/dbraw/zinc/37/35/75/1018373575.db2.gz DKKLLHWSFJJFLD-IONNQARKSA-N -1 0 321.351 -0.322 20 0 DBADRM COC(=O)c1ncoc1CCC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001604410967 1018373643 /nfs/dbraw/zinc/37/36/43/1018373643.db2.gz LEYWXRCFVPOOJQ-LBPRGKRZSA-N -1 0 300.267 -0.654 20 0 DBADRM C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)NCC(=O)[O-] ZINC001604409871 1018374461 /nfs/dbraw/zinc/37/44/61/1018374461.db2.gz UYNXDGFJUVDAMT-MRVPVSSYSA-N -1 0 319.277 -0.592 20 0 DBADRM COC(=O)c1cnn(CC(=O)NC2(C(=O)[O-])CCOCC2)c1 ZINC001604403349 1018375350 /nfs/dbraw/zinc/37/53/50/1018375350.db2.gz NKSAXQRMBDCOLB-UHFFFAOYSA-N -1 0 311.294 -0.580 20 0 DBADRM C[C@H](OC(=O)c1ccc(NCC(N)=O)cc1)C(=O)NCC(=O)[O-] ZINC001604414446 1018375942 /nfs/dbraw/zinc/37/59/42/1018375942.db2.gz UBAVEHPSOXAANV-QMMMGPOBSA-N -1 0 323.305 -0.670 20 0 DBADRM C[C@H](OC(=O)c1ccoc1CC(N)=O)c1cn(CC(=O)[O-])nn1 ZINC001604417198 1018376766 /nfs/dbraw/zinc/37/67/66/1018376766.db2.gz ZZPDWNCSMXIYMS-ZETCQYMHSA-N -1 0 322.277 -0.099 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCNC(=O)[C@H]1c1ccccc1F ZINC001604420749 1018376842 /nfs/dbraw/zinc/37/68/42/1018376842.db2.gz CNIPECIEZAWMHN-GHMZBOCLSA-N -1 0 310.281 -0.075 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC[C@@H](O)COc1cccc(F)c1 ZINC001604422994 1018377103 /nfs/dbraw/zinc/37/71/03/1018377103.db2.gz BULQVBLFFSAFMJ-MWLCHTKSSA-N -1 0 301.270 -0.219 20 0 DBADRM CCOCC1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001604420868 1018378655 /nfs/dbraw/zinc/37/86/55/1018378655.db2.gz KWDDOPUGVDJPKX-UHFFFAOYSA-N -1 0 306.330 -0.609 20 0 DBADRM C[C@@H](Oc1ccc(C=O)cc1)C(=O)NCC(=O)NCC(=O)[O-] ZINC001604428538 1018379553 /nfs/dbraw/zinc/37/95/53/1018379553.db2.gz NGIIUBUYYCKGAL-SECBINFHSA-N -1 0 308.290 -0.417 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1cc(=O)n(-c2ccccc2)n1C ZINC001604431483 1018382091 /nfs/dbraw/zinc/38/20/91/1018382091.db2.gz CGHXAUJHOUWYLV-ZDUSSCGKSA-N -1 0 319.317 -0.108 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC001604424816 1018382480 /nfs/dbraw/zinc/38/24/80/1018382480.db2.gz VLWXETDHTUGHRM-HQJQHLMTSA-N -1 0 319.260 -0.080 20 0 DBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)NCCOCC(=O)[O-] ZINC001604458479 1018383286 /nfs/dbraw/zinc/38/32/86/1018383286.db2.gz DPTKJFJLMLMLDP-ZETCQYMHSA-N -1 0 315.355 -0.294 20 0 DBADRM C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)NCC(=O)[O-] ZINC001604458843 1018383538 /nfs/dbraw/zinc/38/35/38/1018383538.db2.gz JJSSIUZZDCNHIZ-JGVFFNPUSA-N -1 0 315.355 -0.467 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001604460091 1018383776 /nfs/dbraw/zinc/38/37/76/1018383776.db2.gz XWNCWDLWGNDSJZ-YIZRAAEISA-N -1 0 314.367 -0.410 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N(C)CCC1=NC(=O)C(C)C(=O)N1 ZINC001604450570 1018384715 /nfs/dbraw/zinc/38/47/15/1018384715.db2.gz JWCITBQUWKPTAA-CYBMUJFWSA-N -1 0 313.310 -0.313 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2cc(F)ncn2)CC1 ZINC001604455124 1018384814 /nfs/dbraw/zinc/38/48/14/1018384814.db2.gz OXCRVATZTDRQOB-CYBMUJFWSA-N -1 0 312.301 -0.246 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCO[C@H](CN2CCOCC2)C1 ZINC001604455398 1018385063 /nfs/dbraw/zinc/38/50/63/1018385063.db2.gz UYAPPYFDWGUOKV-RISCZKNCSA-N -1 0 316.354 -0.964 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC001604450385 1018385108 /nfs/dbraw/zinc/38/51/08/1018385108.db2.gz HJEZBFDMMPAVLB-JOYOIKCWSA-N -1 0 322.383 -0.642 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)OCC(=O)Nc1nnc(C2CC2)o1 ZINC001604461659 1018385185 /nfs/dbraw/zinc/38/51/85/1018385185.db2.gz LWUVZGPYNNHMCF-LBPRGKRZSA-N -1 0 313.266 -0.082 20 0 DBADRM COC(OC)C(=O)N1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC001604480224 1018387163 /nfs/dbraw/zinc/38/71/63/1018387163.db2.gz IEAUOIKGAYKJAA-UHFFFAOYSA-N -1 0 320.367 -0.906 20 0 DBADRM CO[C@H](C)CS(=O)(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001604471553 1018387342 /nfs/dbraw/zinc/38/73/42/1018387342.db2.gz ACYPCGMAXDZYLS-ZJUUUORDSA-N -1 0 322.383 -0.594 20 0 DBADRM COC(C)(C)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001604472922 1018387754 /nfs/dbraw/zinc/38/77/54/1018387754.db2.gz KSTMXOUMTLOOJY-UHFFFAOYSA-N -1 0 307.368 -0.193 20 0 DBADRM COC1(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])CS(=O)(=O)C1 ZINC001604480194 1018388219 /nfs/dbraw/zinc/38/82/19/1018388219.db2.gz HEBZFNGGDUXOJM-BDAKNGLRSA-N -1 0 305.352 -0.488 20 0 DBADRM COC(OC)[C@@H](C)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604480890 1018388385 /nfs/dbraw/zinc/38/83/85/1018388385.db2.gz OOQJHVKURKCQJT-BDAKNGLRSA-N -1 0 302.327 -0.567 20 0 DBADRM CC1(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CC=CC1 ZINC001604484841 1018389157 /nfs/dbraw/zinc/38/91/57/1018389157.db2.gz TUPTVAQRMWRVDG-WDEREUQCSA-N -1 0 322.361 -0.247 20 0 DBADRM C[C@@]1(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CCOC1 ZINC001604486141 1018389993 /nfs/dbraw/zinc/38/99/93/1018389993.db2.gz SSCNOUHZKSGNPA-CABCVRRESA-N -1 0 312.366 -0.199 20 0 DBADRM C[C@]1(C(=O)NCCNc2ccnc(C(=O)[O-])n2)CCC(=O)NC1 ZINC001604487065 1018390145 /nfs/dbraw/zinc/39/01/45/1018390145.db2.gz SUJYKHGIXAZELR-AWEZNQCLSA-N -1 0 321.337 -0.959 20 0 DBADRM CO[C@]1(CNC(=O)[C@]2(C(=O)[O-])CC2(C)C)CCS(=O)(=O)C1 ZINC001604486885 1018390231 /nfs/dbraw/zinc/39/02/31/1018390231.db2.gz DVDXFBUMEYALOM-STQMWFEESA-N -1 0 319.379 -0.193 20 0 DBADRM CC1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CCOCC1 ZINC001604487773 1018390806 /nfs/dbraw/zinc/39/08/06/1018390806.db2.gz JOTVQLUZCTWQIR-TVQRCGJNSA-N -1 0 319.379 -0.193 20 0 DBADRM CC1(C(=O)N2CCC(O)(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)CC1 ZINC001604485091 1018390828 /nfs/dbraw/zinc/39/08/28/1018390828.db2.gz YLRGKONDRCYIGQ-MNOVXSKESA-N -1 0 324.377 -0.023 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001604497252 1018391644 /nfs/dbraw/zinc/39/16/44/1018391644.db2.gz DMARMZFNXRFAQJ-MEBBXXQBSA-N -1 0 320.349 -0.294 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 ZINC001604497253 1018392853 /nfs/dbraw/zinc/39/28/53/1018392853.db2.gz DMARMZFNXRFAQJ-ZUZCIYMTSA-N -1 0 320.349 -0.294 20 0 DBADRM COC1(OC)CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C[C@@H]1O ZINC001604491474 1018393432 /nfs/dbraw/zinc/39/34/32/1018393432.db2.gz AJXVBCXNQYACBV-JOYOIKCWSA-N -1 0 303.311 -0.798 20 0 DBADRM CC1(C)NC(=O)N(CCCC(=O)N[C@H](CF)C(=O)[O-])C1=O ZINC001604554868 1018398862 /nfs/dbraw/zinc/39/88/62/1018398862.db2.gz SXEUPXAAYBBMII-SSDOTTSWSA-N -1 0 303.290 -0.364 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@H](C)[C@H](C)OC)CCO1 ZINC001604549325 1018398875 /nfs/dbraw/zinc/39/88/75/1018398875.db2.gz DMQCPINXFRCNMU-NRUUGDAUSA-N -1 0 304.343 -0.079 20 0 DBADRM COCC(C)(C)CCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001604507904 1018395269 /nfs/dbraw/zinc/39/52/69/1018395269.db2.gz WWYIPYGXTJBYKK-SNVBAGLBSA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)CS(=O)(=O)C(C)C)C1 ZINC001604527234 1018396164 /nfs/dbraw/zinc/39/61/64/1018396164.db2.gz YXXKRTAFXHHZOG-GFCCVEGCSA-N -1 0 307.368 -0.241 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])CO1 ZINC001604520165 1018396527 /nfs/dbraw/zinc/39/65/27/1018396527.db2.gz ZAIANTSCWWHHAQ-IUCAKERBSA-N -1 0 320.367 -0.841 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2COC[C@H]2C)C1 ZINC001604523092 1018396600 /nfs/dbraw/zinc/39/66/00/1018396600.db2.gz KKUGFJGQBZGVLP-BFVZDQMLSA-N -1 0 314.338 -0.913 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2cscn2)CCO1 ZINC001604565778 1018404588 /nfs/dbraw/zinc/40/45/88/1018404588.db2.gz ZAHXCBPIQMXJOA-JTQLQIEISA-N -1 0 322.364 -0.366 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C2=C3CCCN=C3NN2)C1 ZINC001604535759 1018398130 /nfs/dbraw/zinc/39/81/30/1018398130.db2.gz LRAXUTKMGCZSII-AWEZNQCLSA-N -1 0 308.338 -0.510 20 0 DBADRM CC1(C)CCC[C@@](NC(=O)c2cn(CC(N)=O)nn2)(C(=O)[O-])C1 ZINC001604530572 1018398287 /nfs/dbraw/zinc/39/82/87/1018398287.db2.gz TZGUVQZPBLNJIH-AWEZNQCLSA-N -1 0 323.353 -0.083 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])CO1 ZINC001604520160 1018398305 /nfs/dbraw/zinc/39/83/05/1018398305.db2.gz ZAIANTSCWWHHAQ-BDAKNGLRSA-N -1 0 320.367 -0.841 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CCO1 ZINC001604549193 1018398998 /nfs/dbraw/zinc/39/89/98/1018398998.db2.gz BRSUZPUEPQBQAY-BMIGLBTASA-N -1 0 323.349 -0.157 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCN(C)C(=O)C2)CCO1 ZINC001604550738 1018399161 /nfs/dbraw/zinc/39/91/61/1018399161.db2.gz KUZIWYUYLKORKL-QMTHXVAHSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)/C=C/c2cn(C)cn2)CCO1 ZINC001604551545 1018399427 /nfs/dbraw/zinc/39/94/27/1018399427.db2.gz RPDPTYGDPPWWTN-RDFMZFSFSA-N -1 0 309.322 -0.238 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001604553603 1018399496 /nfs/dbraw/zinc/39/94/96/1018399496.db2.gz VGDOBANCCYKPQM-BBBLOLIVSA-N -1 0 320.349 -0.113 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CO[C@@H]2CCOC2)CCO1 ZINC001604551003 1018400212 /nfs/dbraw/zinc/40/02/12/1018400212.db2.gz NFLGJPUXYOJWON-ZWNOBZJWSA-N -1 0 303.311 -0.880 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CCN2CCOC2=O)CCO1 ZINC001604551737 1018400317 /nfs/dbraw/zinc/40/03/17/1018400317.db2.gz UGZKGEVFMWRFSF-CYBMUJFWSA-N -1 0 316.310 -0.843 20 0 DBADRM CC1(C)OC[C@@H]([C@@H]2CN(Cn3cnc(C(=O)[O-])n3)CCO2)O1 ZINC001604562863 1018401752 /nfs/dbraw/zinc/40/17/52/1018401752.db2.gz ZBIYYGWNVSKWNN-UWVGGRQHSA-N -1 0 312.326 -0.214 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@@H]2[C@H](C(=O)OC)C2(F)F)CCO1 ZINC001604557579 1018401966 /nfs/dbraw/zinc/40/19/66/1018401966.db2.gz ICLATMUKTCFXMJ-LNLATYFQSA-N -1 0 323.292 -0.157 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)O1 ZINC001604560069 1018402293 /nfs/dbraw/zinc/40/22/93/1018402293.db2.gz NOKVIBLXBKJHSJ-NXEZZACHSA-N -1 0 314.338 -0.423 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CC(=O)NCC(C)(C)C)CCO1 ZINC001604558609 1018402485 /nfs/dbraw/zinc/40/24/85/1018402485.db2.gz QJUIQBFLBHKRTK-AWEZNQCLSA-N -1 0 302.371 -0.049 20 0 DBADRM CC1(C)SC[C@H]1NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001604560827 1018402568 /nfs/dbraw/zinc/40/25/68/1018402568.db2.gz LPYQCOCIAHMJOM-DTWKUNHWSA-N -1 0 316.379 -0.301 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)CCO1 ZINC001604558223 1018402744 /nfs/dbraw/zinc/40/27/44/1018402744.db2.gz UYRMMLDSVHHNIY-ZDMBXUJBSA-N -1 0 301.295 -0.876 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)O1 ZINC001604560632 1018402790 /nfs/dbraw/zinc/40/27/90/1018402790.db2.gz TZOCMHOTUQCHCT-BBBLOLIVSA-N -1 0 302.327 -0.385 20 0 DBADRM CC1(C)SC[C@H]1NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001604560829 1018402825 /nfs/dbraw/zinc/40/28/25/1018402825.db2.gz LPYQCOCIAHMJOM-RKDXNWHRSA-N -1 0 316.379 -0.301 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2ccco2)CCO1 ZINC001604565290 1018404182 /nfs/dbraw/zinc/40/41/82/1018404182.db2.gz SVQPCFSICMAACR-LLVKDONJSA-N -1 0 305.308 -0.230 20 0 DBADRM C[C@]1(CC(=O)N2CCSC[C@H]2C(=O)[O-])CCS(=O)(=O)N1 ZINC001604569175 1018404841 /nfs/dbraw/zinc/40/48/41/1018404841.db2.gz RNBHQVPVRLCVCK-GZMMTYOYSA-N -1 0 322.408 -0.513 20 0 DBADRM C[C@]1(CCC(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CCC(=O)N1 ZINC001604570742 1018405153 /nfs/dbraw/zinc/40/51/53/1018405153.db2.gz FXXPAUPNOGOSIM-XPTSAGLGSA-N -1 0 314.338 -0.232 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2nnnn2CC[C@@H](C)F)CCO1 ZINC001604565441 1018405377 /nfs/dbraw/zinc/40/53/77/1018405377.db2.gz VHXJJRSHCLDFMZ-BXKDBHETSA-N -1 0 317.321 -0.272 20 0 DBADRM COC[C@]1(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)CCOC1 ZINC001604566717 1018405397 /nfs/dbraw/zinc/40/53/97/1018405397.db2.gz BOIKZCSHLSDLJU-NOZJJQNGSA-N -1 0 301.295 -0.732 20 0 DBADRM C[C@]1(CC(=O)N2CC[C@](F)(C(=O)[O-])C2)CCS(=O)(=O)N1 ZINC001604568576 1018405443 /nfs/dbraw/zinc/40/54/43/1018405443.db2.gz FPZKXCYIPITWEP-GHMZBOCLSA-N -1 0 308.331 -0.517 20 0 DBADRM C[C@]1(CC(=O)N[C@H](CC(=O)[O-])C2CC2)CCS(=O)(=O)N1 ZINC001604568307 1018405463 /nfs/dbraw/zinc/40/54/63/1018405463.db2.gz AZHAURGPPMNJFZ-BXKDBHETSA-N -1 0 304.368 -0.172 20 0 DBADRM C[C@@]1(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])CCS(=O)(=O)N1 ZINC001604568313 1018405589 /nfs/dbraw/zinc/40/55/89/1018405589.db2.gz BAQZCKRYTODJGD-CABZTGNLSA-N -1 0 320.367 -0.840 20 0 DBADRM COCCCn1nc(C(=O)N(OC)[C@H](C)C(=O)[O-])ccc1=O ZINC001604580777 1018406173 /nfs/dbraw/zinc/40/61/73/1018406173.db2.gz ORJAYIAEYQKTJP-SECBINFHSA-N -1 0 313.310 -0.244 20 0 DBADRM COCC[C@@H]1COCCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001604574414 1018406950 /nfs/dbraw/zinc/40/69/50/1018406950.db2.gz CUTPPXMIJXOEPK-LLVKDONJSA-N -1 0 324.333 -0.190 20 0 DBADRM C[C@@]1(CNC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CCC(=O)N1 ZINC001604578004 1018407370 /nfs/dbraw/zinc/40/73/70/1018407370.db2.gz XBXDFVFQVITPPB-RISCZKNCSA-N -1 0 313.354 -0.478 20 0 DBADRM C[C@@]1(CNC(=O)C(N)=O)CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001604575344 1018407418 /nfs/dbraw/zinc/40/74/18/1018407418.db2.gz JWFULGGIVIAJNQ-AWEZNQCLSA-N -1 0 321.337 -0.617 20 0 DBADRM COCCCOCCN(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001604580893 1018407916 /nfs/dbraw/zinc/40/79/16/1018407916.db2.gz SARZGPAAWHLOAK-NSHDSACASA-N -1 0 324.399 -0.235 20 0 DBADRM C[C@@]1(CO)CCCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001604584777 1018408999 /nfs/dbraw/zinc/40/89/99/1018408999.db2.gz JMXINNNOITYWFV-QKFMDRJYSA-N -1 0 312.366 -0.023 20 0 DBADRM CC1(Cn2cc(C(=O)N3CCOC[C@@H]3CC(=O)[O-])nn2)COC1 ZINC001604587086 1018409105 /nfs/dbraw/zinc/40/91/05/1018409105.db2.gz HIBCIYKYZBCCHE-JTQLQIEISA-N -1 0 324.337 -0.370 20 0 DBADRM COCCN(CC(=O)OC(C)(C)C)C(=O)[C@H](OC)C(=O)[O-] ZINC001604598225 1018409236 /nfs/dbraw/zinc/40/92/36/1018409236.db2.gz ZPEDIDJWLKHOEG-JTQLQIEISA-N -1 0 305.327 -0.097 20 0 DBADRM CC1(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCN(C(=O)CC(N)=O)CC1 ZINC001604589420 1018409363 /nfs/dbraw/zinc/40/93/63/1018409363.db2.gz OOZYERIYSLUHRV-IUCAKERBSA-N -1 0 311.338 -0.920 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@@H]1[C@H](C)O ZINC001604597809 1018410288 /nfs/dbraw/zinc/41/02/88/1018410288.db2.gz NIVYRWBOCQBNBT-WDEREUQCSA-N -1 0 316.354 -0.692 20 0 DBADRM C[C@@]1(NC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)CCOC1=O ZINC001604589818 1018410299 /nfs/dbraw/zinc/41/02/99/1018410299.db2.gz CJXCTRGAUYOFTO-CYBMUJFWSA-N -1 0 308.294 -0.078 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cn(CC2(C)COC2)nn1 ZINC001604592624 1018410336 /nfs/dbraw/zinc/41/03/36/1018410336.db2.gz RNJCYYUNNMEVAN-UHFFFAOYSA-N -1 0 312.326 -0.512 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 ZINC001604584468 1018410535 /nfs/dbraw/zinc/41/05/35/1018410535.db2.gz QVMXFUCUFYKSOZ-NSHDSACASA-N -1 0 310.310 -0.527 20 0 DBADRM CCn1ccc(COC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001604609826 1018411547 /nfs/dbraw/zinc/41/15/47/1018411547.db2.gz VYBIPNUKFDJYNV-MRVPVSSYSA-N -1 0 317.313 -0.021 20 0 DBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC001604611555 1018411712 /nfs/dbraw/zinc/41/17/12/1018411712.db2.gz GIGSVXZZVLGVRF-RAIGVLPGSA-N -1 0 315.366 -0.030 20 0 DBADRM COCCO[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001604611467 1018412203 /nfs/dbraw/zinc/41/22/03/1018412203.db2.gz BDSJJPWOBOJDAQ-DCAQKATOSA-N -1 0 314.338 -0.770 20 0 DBADRM COCCO[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC001604611534 1018412520 /nfs/dbraw/zinc/41/25/20/1018412520.db2.gz FMOHHIYVIBRCEW-GHMZBOCLSA-N -1 0 316.354 -0.571 20 0 DBADRM C[C@@]12CN(S(=O)(=O)CCCC(=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001604605640 1018412920 /nfs/dbraw/zinc/41/29/20/1018412920.db2.gz IVFXTYQLCDOHEP-RYUDHWBXSA-N -1 0 318.351 -0.834 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCOC2CCC2)c1=O ZINC001604600803 1018412930 /nfs/dbraw/zinc/41/29/30/1018412930.db2.gz GWBUPXRFIIHTFQ-UHFFFAOYSA-N -1 0 306.326 -0.221 20 0 DBADRM CC1=C(C(=O)NC[C@@](C)(O)C(=O)[O-])[C@H](C)n2ncnc2N1C ZINC001604607649 1018412981 /nfs/dbraw/zinc/41/29/81/1018412981.db2.gz KHBAFOWSUABFKR-ISVAXAHUSA-N -1 0 309.326 -0.485 20 0 DBADRM CC1=C(C(=O)NCC[C@H](O)C(=O)[O-])[C@H](C)n2ncnc2N1C ZINC001604607786 1018413168 /nfs/dbraw/zinc/41/31/68/1018413168.db2.gz LZHPXPRAKNXAJX-IUCAKERBSA-N -1 0 309.326 -0.485 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001604620487 1018414148 /nfs/dbraw/zinc/41/41/48/1018414148.db2.gz NSXBBQRXIFLZKZ-LURJTMIESA-N -1 0 303.296 -0.776 20 0 DBADRM C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)c1ccc(C(=O)[O-])o1 ZINC001604619651 1018415102 /nfs/dbraw/zinc/41/51/02/1018415102.db2.gz AGWWKIKNCCIVIH-ZCFIWIBFSA-N -1 0 316.291 -0.432 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1C(=O)COCc1ocnc1C(=O)[O-] ZINC001604619908 1018415161 /nfs/dbraw/zinc/41/51/61/1018415161.db2.gz GNEFJBXLVKVBKC-QMMMGPOBSA-N -1 0 311.294 -0.422 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001604620845 1018415341 /nfs/dbraw/zinc/41/53/41/1018415341.db2.gz CWGZVURCFHABGA-SSDOTTSWSA-N -1 0 323.280 -0.191 20 0 DBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001604617349 1018415458 /nfs/dbraw/zinc/41/54/58/1018415458.db2.gz BZVQZMXNCATTLV-IJLUTSLNSA-N -1 0 316.354 -0.077 20 0 DBADRM COCCNC(=O)CN1CCN(C(=O)CCCC(=O)[O-])CC1 ZINC001604611703 1018415543 /nfs/dbraw/zinc/41/55/43/1018415543.db2.gz JRFHOUDEWUDEHD-UHFFFAOYSA-N -1 0 315.370 -0.852 20 0 DBADRM C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)c1ccc(C(=O)[O-])o1 ZINC001604619650 1018415579 /nfs/dbraw/zinc/41/55/79/1018415579.db2.gz AGWWKIKNCCIVIH-LURJTMIESA-N -1 0 316.291 -0.432 20 0 DBADRM CCn1cnc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c1 ZINC001604613683 1018415695 /nfs/dbraw/zinc/41/56/95/1018415695.db2.gz LDELLWNGUGQUEY-UHFFFAOYSA-N -1 0 302.302 -0.895 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001604621459 1018415971 /nfs/dbraw/zinc/41/59/71/1018415971.db2.gz JUJXQZXRXACDEZ-SSDOTTSWSA-N -1 0 308.294 -0.991 20 0 DBADRM COCCc1noc(CN(C)[C@H]2CCN(CC(=O)[O-])C2=O)n1 ZINC001604629193 1018416850 /nfs/dbraw/zinc/41/68/50/1018416850.db2.gz YNGXQBWDGUMRIC-VIFPVBQESA-N -1 0 312.326 -0.624 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCc1nc(C2CC2)no1 ZINC001604627257 1018417421 /nfs/dbraw/zinc/41/74/21/1018417421.db2.gz PWIDIMFSYAZICC-VXNVDRBHSA-N -1 0 322.321 -0.115 20 0 DBADRM COCCn1c(N)c(C(=O)CSCC(=O)[O-])c(=O)[nH]c1=O ZINC001604629977 1018417805 /nfs/dbraw/zinc/41/78/05/1018417805.db2.gz SHAOMJVWEZAKNB-UHFFFAOYSA-N -1 0 317.323 -0.822 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCN(C2CC2)CC1 ZINC001604625346 1018418140 /nfs/dbraw/zinc/41/81/40/1018418140.db2.gz XVLJJMJLLYEHAE-ZYHUDNBSSA-N -1 0 309.366 -0.385 20 0 DBADRM COCCc1noc(CN(C)[C@@H]2CCN(CC(=O)[O-])C2=O)n1 ZINC001604629192 1018418182 /nfs/dbraw/zinc/41/81/82/1018418182.db2.gz YNGXQBWDGUMRIC-SECBINFHSA-N -1 0 312.326 -0.624 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1[C@@H](C)CCC[C@H]1C(=O)[O-] ZINC001604626300 1018418229 /nfs/dbraw/zinc/41/82/29/1018418229.db2.gz QHPBEQQAQMYXPQ-UWVGGRQHSA-N -1 0 307.368 -0.098 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC001604628545 1018418499 /nfs/dbraw/zinc/41/84/99/1018418499.db2.gz YJFVROINFYXABV-BDAKNGLRSA-N -1 0 319.321 -0.548 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001604639704 1018419454 /nfs/dbraw/zinc/41/94/54/1018419454.db2.gz QHXKIUFJSAZTED-NSHDSACASA-N -1 0 310.306 -0.624 20 0 DBADRM COCc1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])ncn1 ZINC001604640606 1018420050 /nfs/dbraw/zinc/42/00/50/1018420050.db2.gz FVBGQCYNFSIIRO-VIFPVBQESA-N -1 0 308.294 -0.363 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1nccn1S(=O)(=O)N(C)C ZINC001604636046 1018420211 /nfs/dbraw/zinc/42/02/11/1018420211.db2.gz FFGJOMWYYDIFEI-VHSXEESVSA-N -1 0 316.383 -0.167 20 0 DBADRM COC[C@@H](O)CNC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001604639862 1018420269 /nfs/dbraw/zinc/42/02/69/1018420269.db2.gz WJZOBIAUDBYIDO-DUEVMTECSA-N -1 0 316.354 -0.295 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001604639759 1018420937 /nfs/dbraw/zinc/42/09/37/1018420937.db2.gz SOUMZCUVNXBHDQ-GMTAPVOTSA-N -1 0 316.354 -0.932 20 0 DBADRM COCc1cnc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])s1 ZINC001604648884 1018422110 /nfs/dbraw/zinc/42/21/10/1018422110.db2.gz YPQYWTIQLMZKLX-NSHDSACASA-N -1 0 317.323 -0.820 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)CO1 ZINC001604648352 1018422716 /nfs/dbraw/zinc/42/27/16/1018422716.db2.gz OAXBHTBYLJGNAQ-NXEZZACHSA-N -1 0 308.338 -0.108 20 0 DBADRM C[C@H]1C[C@H](CNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C[C@@H](C)C1 ZINC001604657239 1018422760 /nfs/dbraw/zinc/42/27/60/1018422760.db2.gz WOUUGCVNVYRPFH-URLYPYJESA-N -1 0 312.366 -0.167 20 0 DBADRM COCc1ncc(CNC(=O)[C@]2(C(=O)[O-])CCCO2)c(N)n1 ZINC001604651030 1018422799 /nfs/dbraw/zinc/42/27/99/1018422799.db2.gz AUYGRFUJHZXNOB-ZDUSSCGKSA-N -1 0 310.310 -0.545 20 0 DBADRM C[C@H]1C[C@@H](C(=O)NC2(CC(=O)[O-])CCS(=O)(=O)CC2)CO1 ZINC001604648597 1018423461 /nfs/dbraw/zinc/42/34/61/1018423461.db2.gz UYLSCUMUNGDLDQ-VHSXEESVSA-N -1 0 319.379 -0.050 20 0 DBADRM COCc1nsc(N2CCO[C@](COC)(C(=O)[O-])C2)n1 ZINC001604651245 1018423584 /nfs/dbraw/zinc/42/35/84/1018423584.db2.gz JUMJCGWTJBTYEZ-LLVKDONJSA-N -1 0 303.340 -0.009 20 0 DBADRM CON(C)C(=O)C1CCN(C(=O)[C@](C)(OC)C(=O)[O-])CC1 ZINC001604662552 1018424763 /nfs/dbraw/zinc/42/47/63/1018424763.db2.gz HETZDAONPQRJAU-ZDUSSCGKSA-N -1 0 302.327 -0.266 20 0 DBADRM CC1CC(CNC(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC001604667292 1018424799 /nfs/dbraw/zinc/42/47/99/1018424799.db2.gz RSQKQSPUGKYUNZ-CBINBANVSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CS1 ZINC001604671978 1018425486 /nfs/dbraw/zinc/42/54/86/1018425486.db2.gz FSLJOIOHLFIRMC-OPRDCNLKSA-N -1 0 316.379 -0.301 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC1(C(=O)[O-])CCOCC1 ZINC001604669077 1018425755 /nfs/dbraw/zinc/42/57/55/1018425755.db2.gz GHRBIPDXXJMIES-UHFFFAOYSA-N -1 0 313.266 -0.740 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)C[C@H](CO)C2)C[C@H]1C(=O)[O-] ZINC001604663193 1018425953 /nfs/dbraw/zinc/42/59/53/1018425953.db2.gz NCXZWBGORSFDJM-WHOHXGKFSA-N -1 0 312.366 -0.358 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C(N)=O)CCN1c1ncc(C(=O)[O-])cn1 ZINC001604671757 1018426341 /nfs/dbraw/zinc/42/63/41/1018426341.db2.gz DGIYMLFGDBZESW-CBAPKCEASA-N -1 0 307.310 -0.866 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CS1 ZINC001604672558 1018427634 /nfs/dbraw/zinc/42/76/34/1018427634.db2.gz ODZVMEMEGKLREN-JXUBOQSCSA-N -1 0 316.379 -0.303 20 0 DBADRM C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001604672600 1018427870 /nfs/dbraw/zinc/42/78/70/1018427870.db2.gz OXCUZZCOEQZDFE-AAEUAGOBSA-N -1 0 322.365 -0.097 20 0 DBADRM C[C@@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)CCN1C(=O)C(N)=O ZINC001604678653 1018427895 /nfs/dbraw/zinc/42/78/95/1018427895.db2.gz JOZDIAFWFUBCIU-VXNVDRBHSA-N -1 0 307.310 -0.549 20 0 DBADRM C[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)CCN1C(=O)C(N)=O ZINC001604678651 1018428089 /nfs/dbraw/zinc/42/80/89/1018428089.db2.gz JOZDIAFWFUBCIU-CBAPKCEASA-N -1 0 307.310 -0.549 20 0 DBADRM C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001604672602 1018428120 /nfs/dbraw/zinc/42/81/20/1018428120.db2.gz OXCUZZCOEQZDFE-WCQYABFASA-N -1 0 322.365 -0.097 20 0 DBADRM C[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)CN1C(=O)c1nc[nH]n1 ZINC001604679185 1018428348 /nfs/dbraw/zinc/42/83/48/1018428348.db2.gz QCNFKMKWXHSFEZ-YUMQZZPRSA-N -1 0 317.309 -0.570 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1=O ZINC001604688236 1018429973 /nfs/dbraw/zinc/42/99/73/1018429973.db2.gz HVCJWDXNYDZEDN-APLZJWDSSA-N -1 0 316.379 -0.222 20 0 DBADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001604682555 1018430354 /nfs/dbraw/zinc/43/03/54/1018430354.db2.gz DNGXKNCTKXGYLF-RBBWPXTMSA-N -1 0 324.377 -0.311 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](N2C(=O)N[C@H](CCC(=O)[O-])C2=O)CC1=O ZINC001604689129 1018431695 /nfs/dbraw/zinc/43/16/95/1018431695.db2.gz UKXUXFNZOFKAGP-KYXWUPHJSA-N -1 0 309.322 -0.219 20 0 DBADRM C[C@H](OC(=O)C(=O)N1CCC[C@@H](C)C1)C(=O)NCC(=O)[O-] ZINC001604733538 1018436211 /nfs/dbraw/zinc/43/62/11/1018436211.db2.gz CVLKYOPWLAXWNZ-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])C1 ZINC001604757391 1018438993 /nfs/dbraw/zinc/43/89/93/1018438993.db2.gz OWMOIYQFDXROMG-UWVGGRQHSA-N -1 0 319.383 -0.762 20 0 DBADRM C[C@H]1CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C[C@@H]1CO ZINC001604743913 1018440376 /nfs/dbraw/zinc/44/03/76/1018440376.db2.gz CJURUZIQIUEBIS-VHSXEESVSA-N -1 0 311.342 -0.364 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])C[C@H](C)[C@H]1O ZINC001604768839 1018441692 /nfs/dbraw/zinc/44/16/92/1018441692.db2.gz PMAUTZLMDRLZEF-SRRSOLGSSA-N -1 0 312.366 -0.073 20 0 DBADRM COc1ccc(C(=O)NCCNC(=O)[C@@H](OC)C(=O)[O-])cc1 ZINC001604763877 1018441778 /nfs/dbraw/zinc/44/17/78/1018441778.db2.gz JZEVKEVCZNZPAC-LLVKDONJSA-N -1 0 310.306 -0.359 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)CC[S@]1=O ZINC001604760932 1018442033 /nfs/dbraw/zinc/44/20/33/1018442033.db2.gz PBZLAWVOFRROLX-ZDVLTJLQSA-N -1 0 322.364 -0.096 20 0 DBADRM C[C@H]1CN(C(=O)CN[C@](C)(Cn2cccn2)C(=O)[O-])CCO1 ZINC001604768748 1018442201 /nfs/dbraw/zinc/44/22/01/1018442201.db2.gz GWCMEVKVLDQXLG-SMDDNHRTSA-N -1 0 310.354 -0.437 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)Cn2ccc(C(=O)[O-])n2)CCO1 ZINC001604768739 1018442885 /nfs/dbraw/zinc/44/28/85/1018442885.db2.gz GODNELKTGFFUJJ-SECBINFHSA-N -1 0 311.294 -0.628 20 0 DBADRM C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001604772461 1018443934 /nfs/dbraw/zinc/44/39/34/1018443934.db2.gz XMXHRUYFIGVGEB-VXNVDRBHSA-N -1 0 307.310 -0.691 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001604769199 1018445150 /nfs/dbraw/zinc/44/51/50/1018445150.db2.gz PMFDLWYGXUFEGF-LMLFDSFASA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CCN1CCC(=O)[O-] ZINC001604771224 1018445503 /nfs/dbraw/zinc/44/55/03/1018445503.db2.gz MKVFXOMMNJNFCH-VIFPVBQESA-N -1 0 304.368 -0.962 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H](C)[C@H]1O ZINC001604769245 1018445664 /nfs/dbraw/zinc/44/56/64/1018445664.db2.gz SJWCCBXCJVXBFD-YYNVLWEHSA-N -1 0 312.366 -0.217 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C[C@@]1(C)CO ZINC001604769675 1018445668 /nfs/dbraw/zinc/44/56/68/1018445668.db2.gz OFWFUONRHFYVPM-ZETOZRRWSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C[C@H]1C ZINC001604770047 1018446022 /nfs/dbraw/zinc/44/60/22/1018446022.db2.gz WQHVYGDPKGVAIL-HFBDOXOYSA-N -1 0 323.349 -0.067 20 0 DBADRM C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1Nc1ccnc(C(=O)[O-])n1 ZINC001604781082 1018447010 /nfs/dbraw/zinc/44/70/10/1018447010.db2.gz UMCWGIMMBDHEGF-IONNQARKSA-N -1 0 317.309 -0.713 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001604787250 1018447735 /nfs/dbraw/zinc/44/77/35/1018447735.db2.gz YJUOLYPFEHCTFD-BIAAXOCRSA-N -1 0 300.355 -0.156 20 0 DBADRM C[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1Nc1ccnc(C(=O)[O-])n1 ZINC001604780961 1018447949 /nfs/dbraw/zinc/44/79/49/1018447949.db2.gz RCEFAYQTAHCEFX-WPRPVWTQSA-N -1 0 316.321 -0.108 20 0 DBADRM COc1ccc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])nc1 ZINC001604792651 1018449784 /nfs/dbraw/zinc/44/97/84/1018449784.db2.gz WSPCQTFYOGOIKR-NSHDSACASA-N -1 0 315.351 -0.026 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)NCC(F)F ZINC001604789756 1018451373 /nfs/dbraw/zinc/45/13/73/1018451373.db2.gz YIBJGNNHYGHXNY-MRVPVSSYSA-N -1 0 307.297 -0.625 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CC(C)(C)C(=O)[O-])[C@@H](C)CN1CCO ZINC001604802863 1018453033 /nfs/dbraw/zinc/45/30/33/1018453033.db2.gz OADPTVZZNHGPST-QWRGUYRKSA-N -1 0 322.427 -0.186 20 0 DBADRM C[C@H]1CN(CCO)CCN1C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001604796134 1018453168 /nfs/dbraw/zinc/45/31/68/1018453168.db2.gz MPFTVQOEQXIELE-NSHDSACASA-N -1 0 307.350 -0.153 20 0 DBADRM C[C@@H](CS(=O)(=O)NCCN1C[C@@H](C)OC[C@@H]1C)C(=O)[O-] ZINC001604796628 1018453926 /nfs/dbraw/zinc/45/39/26/1018453926.db2.gz QMUHWRMUSLWOHB-GARJFASQSA-N -1 0 308.400 -0.264 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)c1c[nH]cn1 ZINC001604795620 1018454073 /nfs/dbraw/zinc/45/40/73/1018454073.db2.gz YQDIARLQECNNOA-SECBINFHSA-N -1 0 302.356 -0.421 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CC(C)(C)C(=O)[O-])[C@@H](C)CN1CCO ZINC001604802862 1018454203 /nfs/dbraw/zinc/45/42/03/1018454203.db2.gz OADPTVZZNHGPST-MNOVXSKESA-N -1 0 322.427 -0.186 20 0 DBADRM C[C@@H]1CN(CCO)CCN1C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001604797701 1018454220 /nfs/dbraw/zinc/45/42/20/1018454220.db2.gz LOJJKRZGKLAHIN-SECBINFHSA-N -1 0 311.342 -0.351 20 0 DBADRM C[C@@H]1CN(CCO)CCN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001604797969 1018454272 /nfs/dbraw/zinc/45/42/72/1018454272.db2.gz OTVLKPMACFTZLH-LLVKDONJSA-N -1 0 322.365 -0.283 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1CCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001604797647 1018454296 /nfs/dbraw/zinc/45/42/96/1018454296.db2.gz YXLPQZIYRLOWJR-KXNHARMFSA-N -1 0 320.411 -0.122 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCN2CCOC[C@@H]2C)O[C@H]1C(=O)[O-] ZINC001604819355 1018455905 /nfs/dbraw/zinc/45/59/05/1018455905.db2.gz DJGXQXVPBWUXQY-WRWGMCAJSA-N -1 0 300.355 -0.299 20 0 DBADRM CCCC(=O)NCC1(O)CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001500776916 1018456073 /nfs/dbraw/zinc/45/60/73/1018456073.db2.gz QHDDGLJBJSMURJ-UHFFFAOYSA-N -1 0 319.365 -0.514 20 0 DBADRM C[C@H]1OCC[C@H]1S(=O)(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604836850 1018457922 /nfs/dbraw/zinc/45/79/22/1018457922.db2.gz ZLNLLMQDXRJQMA-RKDXNWHRSA-N -1 0 308.356 -0.936 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001604822811 1018458526 /nfs/dbraw/zinc/45/85/26/1018458526.db2.gz CVYBDAPYQKCPEG-BBBLOLIVSA-N -1 0 305.352 -0.346 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)Cc1ccc(-c2nn[nH]n2)nc1 ZINC001604824346 1018459135 /nfs/dbraw/zinc/45/91/35/1018459135.db2.gz ZOTLYXFCUPIFOI-UHFFFAOYSA-N -1 0 316.281 -0.449 20 0 DBADRM C[C@H]1OCC[C@]12CN(S(=O)(=O)N(C)CCC(=O)[O-])CCO2 ZINC001604835341 1018459683 /nfs/dbraw/zinc/45/96/83/1018459683.db2.gz RTQNFWGTUSLGSQ-PWSUYJOCSA-N -1 0 322.383 -0.483 20 0 DBADRM C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001604836077 1018459755 /nfs/dbraw/zinc/45/97/55/1018459755.db2.gz VHMRKHNCGPYOGO-YWPYICTPSA-N -1 0 312.366 -0.201 20 0 DBADRM C[C@@H]1NC(=O)[C@H](C)N(S(=O)(=O)CC2(C(=O)[O-])CC2)[C@H]1C ZINC001604828542 1018459811 /nfs/dbraw/zinc/45/98/11/1018459811.db2.gz WHXKOSAFBSXMSZ-CIUDSAMLSA-N -1 0 304.368 -0.222 20 0 DBADRM C[C@H]1c2nncn2CCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001604844671 1018461540 /nfs/dbraw/zinc/46/15/40/1018461540.db2.gz LNJALKINKQIRBU-JTQLQIEISA-N -1 0 307.354 -0.022 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C)[C@@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001604838176 1018461756 /nfs/dbraw/zinc/46/17/56/1018461756.db2.gz RCSDMNVZMQROJE-NAKRPEOUSA-N -1 0 314.338 -0.677 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CN1c2ccccc2O[C@H](C)C1=O)C(=O)[O-] ZINC001604837882 1018462095 /nfs/dbraw/zinc/46/20/95/1018462095.db2.gz PAXVLDYWANXOQK-KKFJDGPESA-N -1 0 322.317 -0.249 20 0 DBADRM C/C=C\C[C@H](CO)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001604850775 1018465060 /nfs/dbraw/zinc/46/50/60/1018465060.db2.gz HHJOXZMRCOVAEJ-GOUYISOISA-N -1 0 301.343 -0.410 20 0 DBADRM C/C=C/C[C@H](CO)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001604850774 1018465995 /nfs/dbraw/zinc/46/59/95/1018465995.db2.gz HHJOXZMRCOVAEJ-DOJWVHCASA-N -1 0 301.343 -0.410 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001604860158 1018467579 /nfs/dbraw/zinc/46/75/79/1018467579.db2.gz SDNPVSCSAZPXHH-VIFPVBQESA-N -1 0 323.353 -0.358 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)O[C@H](C)C(=O)NCC(=O)[O-])C1 ZINC001604860877 1018467818 /nfs/dbraw/zinc/46/78/18/1018467818.db2.gz YJVMNWIBGUKAQP-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001604858744 1018467987 /nfs/dbraw/zinc/46/79/87/1018467987.db2.gz DUXAWVKNYOBHRW-MRVPVSSYSA-N -1 0 309.326 -0.961 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)O[C@H](C)C(=O)NCC(=O)[O-])C1 ZINC001604860874 1018468312 /nfs/dbraw/zinc/46/83/12/1018468312.db2.gz YJVMNWIBGUKAQP-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N(C)CCNc1ncc(C(=O)[O-])cn1 ZINC001604857497 1018468488 /nfs/dbraw/zinc/46/84/88/1018468488.db2.gz MGXDHAWTUPHQBI-VIFPVBQESA-N -1 0 323.353 -0.040 20 0 DBADRM CCC(=O)NCC(=O)NC/C=C\CNc1ncc(C(=O)[O-])cn1 ZINC001604859223 1018469232 /nfs/dbraw/zinc/46/92/32/1018469232.db2.gz HBVDLZWDJKRJAF-ARJAWSKDSA-N -1 0 321.337 -0.215 20 0 DBADRM CCC(=O)NCC(=O)N(C)CCCNc1ccnc(C(=O)[O-])n1 ZINC001604860517 1018469680 /nfs/dbraw/zinc/46/96/80/1018469680.db2.gz VXJDCVUKDJUGFT-UHFFFAOYSA-N -1 0 323.353 -0.617 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N(C)Cc1nnc2n1CCN(C)C2=O ZINC001604868855 1018472273 /nfs/dbraw/zinc/47/22/73/1018472273.db2.gz NJTGMZALKNESJA-MRVPVSSYSA-N -1 0 309.326 -0.567 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001604875656 1018475386 /nfs/dbraw/zinc/47/53/86/1018475386.db2.gz AGWNMQHJRGXKAP-VHSXEESVSA-N -1 0 318.337 -0.070 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001604875658 1018475913 /nfs/dbraw/zinc/47/59/13/1018475913.db2.gz AGWNMQHJRGXKAP-ZJUUUORDSA-N -1 0 318.337 -0.070 20 0 DBADRM COC(=O)[C@H](C)CN(C)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604903069 1018479927 /nfs/dbraw/zinc/47/99/27/1018479927.db2.gz FHNQFQKLCHMEGN-SFYZADRCSA-N -1 0 322.329 -0.713 20 0 DBADRM COc1cccnc1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001604899035 1018481340 /nfs/dbraw/zinc/48/13/40/1018481340.db2.gz RZGHJDWZWPFHHM-JTQLQIEISA-N -1 0 315.351 -0.026 20 0 DBADRM COc1ncccc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001604912101 1018483158 /nfs/dbraw/zinc/48/31/58/1018483158.db2.gz PJWIWWPIAKXNGZ-QMMMGPOBSA-N -1 0 302.308 -0.436 20 0 DBADRM COc1ncccc1CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001604906648 1018483212 /nfs/dbraw/zinc/48/32/12/1018483212.db2.gz JUEWUSJRDWLXIY-VIFPVBQESA-N -1 0 309.322 -0.115 20 0 DBADRM COc1nccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC001604906992 1018483782 /nfs/dbraw/zinc/48/37/82/1018483782.db2.gz RWAYJPDCWYTBSW-BDAKNGLRSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1nccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1F ZINC001604906381 1018483833 /nfs/dbraw/zinc/48/38/33/1018483833.db2.gz GXFQZUGSEIYVTQ-VIFPVBQESA-N -1 0 318.326 -0.087 20 0 DBADRM COc1nccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC001604906997 1018484269 /nfs/dbraw/zinc/48/42/69/1018484269.db2.gz RWAYJPDCWYTBSW-RKDXNWHRSA-N -1 0 322.321 -0.007 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001604913743 1018484586 /nfs/dbraw/zinc/48/45/86/1018484586.db2.gz GCDLRJKDCMGXHT-MNOVXSKESA-N -1 0 318.395 -0.429 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CCC[C@H](C(=O)[O-])C2)CCOCC1 ZINC001604914219 1018484610 /nfs/dbraw/zinc/48/46/10/1018484610.db2.gz PKAVPNGWQQNZQI-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC001604918027 1018484887 /nfs/dbraw/zinc/48/48/87/1018484887.db2.gz IAOCWMDOOKFYKE-DCAQKATOSA-N -1 0 300.355 -0.167 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001604920354 1018486014 /nfs/dbraw/zinc/48/60/14/1018486014.db2.gz SPEPRJJOWHYYSX-MRVPVSSYSA-N -1 0 304.324 -0.843 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)Nc1ccccc1C(=O)[O-] ZINC001604919943 1018486330 /nfs/dbraw/zinc/48/63/30/1018486330.db2.gz DHBGBNZHVBJIAL-QMMMGPOBSA-N -1 0 316.335 -0.088 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCN([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001604919844 1018486355 /nfs/dbraw/zinc/48/63/55/1018486355.db2.gz AHXUXZRADOAXRF-MNOVXSKESA-N -1 0 318.395 -0.572 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001604920943 1018486457 /nfs/dbraw/zinc/48/64/57/1018486457.db2.gz HLRXCQSPNSGBBI-DTORHVGOSA-N -1 0 305.356 -0.960 20 0 DBADRM CS(=O)(=O)CC1(CCNC(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001604920327 1018486494 /nfs/dbraw/zinc/48/64/94/1018486494.db2.gz QKFIQLRPMYNIKV-CYBMUJFWSA-N -1 0 319.379 -0.049 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)c1cccc(C(=O)[O-])c1 ZINC001604920524 1018487091 /nfs/dbraw/zinc/48/70/91/1018487091.db2.gz XRBUMCDKCVLXEM-SNVBAGLBSA-N -1 0 301.320 -0.480 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001604920184 1018487716 /nfs/dbraw/zinc/48/77/16/1018487716.db2.gz OCMKYKUGQWUFFL-DTORHVGOSA-N -1 0 308.356 -0.790 20 0 DBADRM CS(=O)(=O)Cc1noc(NC(=O)C2(C(=O)[O-])CCC2)n1 ZINC001604921840 1018489291 /nfs/dbraw/zinc/48/92/91/1018489291.db2.gz XTTOBZZBYUZJEI-UHFFFAOYSA-N -1 0 303.296 -0.192 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001604927623 1018490371 /nfs/dbraw/zinc/49/03/71/1018490371.db2.gz OSZJOIZTGIACSO-LBPRGKRZSA-N -1 0 320.367 -0.840 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(C)C[C@H]1CO)C(=O)[O-] ZINC001604930190 1018490566 /nfs/dbraw/zinc/49/05/66/1018490566.db2.gz BSLSEWZZABTIAT-GMXVVIOVSA-N -1 0 301.387 -0.790 20 0 DBADRM COC(=O)N1CCCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001604950378 1018496865 /nfs/dbraw/zinc/49/68/65/1018496865.db2.gz LZCNEFCXQQZMHA-UHFFFAOYSA-N -1 0 304.314 -0.065 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001604943275 1018496963 /nfs/dbraw/zinc/49/69/63/1018496963.db2.gz JFLQUZLXMBOPGK-ASWVTFRLSA-N -1 0 316.379 -0.950 20 0 DBADRM CSc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])cn1 ZINC001604964784 1018498727 /nfs/dbraw/zinc/49/87/27/1018498727.db2.gz GSFZIVHCDCORBO-GFCCVEGCSA-N -1 0 313.335 -0.306 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC001604963132 1018499114 /nfs/dbraw/zinc/49/91/14/1018499114.db2.gz BMFJRWQPGGVQEI-QMMMGPOBSA-N -1 0 323.353 -0.355 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2CC(C)=NO2)c1 ZINC001604964146 1018499314 /nfs/dbraw/zinc/49/93/14/1018499314.db2.gz IKYVLXIALMIBQV-SECBINFHSA-N -1 0 318.293 -0.020 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1(F)F ZINC001604959568 1018499868 /nfs/dbraw/zinc/49/98/68/1018499868.db2.gz FFSKOANWUQYKQY-FSPLSTOPSA-N -1 0 311.252 -0.455 20 0 DBADRM C[C@@H](CO)N(C)C(=O)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001604979168 1018502099 /nfs/dbraw/zinc/50/20/99/1018502099.db2.gz QOMKCXCETXYBBO-ZBEGNZNMSA-N -1 0 322.361 -0.016 20 0 DBADRM COC(=O)c1ccoc1Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001604986975 1018502629 /nfs/dbraw/zinc/50/26/29/1018502629.db2.gz KHKDQVVCSLPEBS-UHFFFAOYSA-N -1 0 318.249 -0.443 20 0 DBADRM CO[C@@](C)(CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001604997995 1018503074 /nfs/dbraw/zinc/50/30/74/1018503074.db2.gz OGEJMNLZJLNEGT-LBPRGKRZSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@@H](NC(=O)c1c2c(nn1C)CCS(=O)(=O)C2)C(=O)[O-] ZINC001604993295 1018504014 /nfs/dbraw/zinc/50/40/14/1018504014.db2.gz KBOKYGXWAHDLIL-ZCFIWIBFSA-N -1 0 301.324 -0.906 20 0 DBADRM CO[C@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C1CC1 ZINC001605008122 1018507374 /nfs/dbraw/zinc/50/73/74/1018507374.db2.gz FXMLZVZWHFWYFI-MRVPVSSYSA-N -1 0 321.341 -0.899 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H](C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001605000253 1018507918 /nfs/dbraw/zinc/50/79/18/1018507918.db2.gz VJLQTJMPIMAPDG-DTWKUNHWSA-N -1 0 320.357 -0.580 20 0 DBADRM CO[C@H](C)[C@H](C)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001605005395 1018508056 /nfs/dbraw/zinc/50/80/56/1018508056.db2.gz ILYQRBIPRRRMFD-JGVFFNPUSA-N -1 0 312.355 -0.037 20 0 DBADRM C[C@H](C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C(F)(F)F ZINC001500902757 1018508711 /nfs/dbraw/zinc/50/87/11/1018508711.db2.gz SQIZBKSJLRAHCY-ZCFIWIBFSA-N -1 0 323.275 -0.628 20 0 DBADRM O=C(CCCC1CC1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500905572 1018509648 /nfs/dbraw/zinc/50/96/48/1018509648.db2.gz YBRIDESKLKBBER-UHFFFAOYSA-N -1 0 309.370 -0.247 20 0 DBADRM CC[C@H](CN1CCOCC1)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605024339 1018510255 /nfs/dbraw/zinc/51/02/55/1018510255.db2.gz GXEAVXHXBULINV-UTUOFQBUSA-N -1 0 320.411 -0.120 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC001605020610 1018510812 /nfs/dbraw/zinc/51/08/12/1018510812.db2.gz IRMHMOSXHXLGJI-FBWDIHGXSA-N -1 0 302.396 -0.380 20 0 DBADRM CO[C@@H]1CC[C@H](NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001605029491 1018511005 /nfs/dbraw/zinc/51/10/05/1018511005.db2.gz MDBQEPNYRSOASQ-HRDYMLBCSA-N -1 0 306.330 -0.297 20 0 DBADRM CC[C@@H](CNC(=O)Cn1cccn1)Nc1ccnc(C(=O)[O-])n1 ZINC001605033871 1018513685 /nfs/dbraw/zinc/51/36/85/1018513685.db2.gz YIDYDJVAFGHZSK-JTQLQIEISA-N -1 0 318.337 -0.200 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCCN1C(=O)NC(C)(C)C1=O ZINC001605034347 1018513842 /nfs/dbraw/zinc/51/38/42/1018513842.db2.gz DYBJDNOBXSOLLQ-CLAHSXSESA-N -1 0 311.338 -0.066 20 0 DBADRM COCC(=O)Cn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O ZINC001605036257 1018514375 /nfs/dbraw/zinc/51/43/75/1018514375.db2.gz HWYLLTLSHPHVPW-UHFFFAOYSA-N -1 0 307.266 -0.970 20 0 DBADRM CC[C@@H](CNC(=O)c1ccnc2c(C(N)=O)cnn21)C(=O)[O-] ZINC001605039694 1018515365 /nfs/dbraw/zinc/51/53/65/1018515365.db2.gz YJWYTVMWUOYOIG-ZETCQYMHSA-N -1 0 305.294 -0.331 20 0 DBADRM C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(=O)N1CCCC1 ZINC001605049883 1018518299 /nfs/dbraw/zinc/51/82/99/1018518299.db2.gz GFILSWUEYLGOBC-UWVGGRQHSA-N -1 0 319.383 -0.619 20 0 DBADRM CC[C@@](COC)(NC(=O)c1cc(C(=O)OC)nn1C)C(=O)[O-] ZINC001605047595 1018518470 /nfs/dbraw/zinc/51/84/70/1018518470.db2.gz CNWPTYPKIXNHEU-ZDUSSCGKSA-N -1 0 313.310 -0.184 20 0 DBADRM COC[C@@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001605072989 1018522129 /nfs/dbraw/zinc/52/21/29/1018522129.db2.gz RWZDNBVZBOTCQM-SECBINFHSA-N -1 0 306.330 -0.657 20 0 DBADRM Cc1c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cnn1C ZINC001605077355 1018524898 /nfs/dbraw/zinc/52/48/98/1018524898.db2.gz SYSLYUCDOPGWKL-VIFPVBQESA-N -1 0 301.324 -0.948 20 0 DBADRM CC[C@@H](NC(=O)NC/C=C(/C)C(=O)[O-])C(=O)N1CCOCC1 ZINC001605077887 1018525916 /nfs/dbraw/zinc/52/59/16/1018525916.db2.gz WECJEOJJPYBCKX-NEOSZVFXSA-N -1 0 313.354 -0.046 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001605090447 1018528911 /nfs/dbraw/zinc/52/89/11/1018528911.db2.gz ZCKXMLWQDFABOV-UTLUCORTSA-N -1 0 300.311 -0.767 20 0 DBADRM CC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@@H](O)C(F)F ZINC001605099216 1018529503 /nfs/dbraw/zinc/52/95/03/1018529503.db2.gz OCXYRGMSBRMAIX-POYBYMJQSA-N -1 0 304.315 -0.368 20 0 DBADRM CC[C@H](O)[C@@H](C)C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001605111424 1018530840 /nfs/dbraw/zinc/53/08/40/1018530840.db2.gz KABGKJAWPUYSKZ-BDAKNGLRSA-N -1 0 307.368 -0.458 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@]2(C(=O)[O-])CCSC2)nn1 ZINC001605114722 1018533086 /nfs/dbraw/zinc/53/30/86/1018533086.db2.gz UOWPIIFZGFIEMK-QPUJVOFHSA-N -1 0 314.367 -0.261 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)nn1 ZINC001605115057 1018533739 /nfs/dbraw/zinc/53/37/39/1018533739.db2.gz XGNXDLPKPXTIBZ-NOZJJQNGSA-N -1 0 312.326 -0.587 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])nn1 ZINC001605115134 1018533967 /nfs/dbraw/zinc/53/39/67/1018533967.db2.gz YMDWVHKGKAKMNX-VHSXEESVSA-N -1 0 322.325 -0.802 20 0 DBADRM COCc1noc(Cn2cc(C)cc(-c3nnn[n-]3)c2=O)n1 ZINC001605139402 1018535098 /nfs/dbraw/zinc/53/50/98/1018535098.db2.gz OJDFUTXUEOWXRH-UHFFFAOYSA-N -1 0 303.282 -0.085 20 0 DBADRM CCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CCC1 ZINC001605130322 1018536423 /nfs/dbraw/zinc/53/64/23/1018536423.db2.gz KJDVIUJMOWZUTH-QWRGUYRKSA-N -1 0 324.377 -0.023 20 0 DBADRM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001605150615 1018538862 /nfs/dbraw/zinc/53/88/62/1018538862.db2.gz NFBXQQIISXITKK-JTQLQIEISA-N -1 0 313.335 -0.321 20 0 DBADRM CCCCNC(=O)CCN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001605281444 1018554303 /nfs/dbraw/zinc/55/43/03/1018554303.db2.gz XCBCNXLYZDPHIT-JTQLQIEISA-N -1 0 306.384 -0.524 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)C1 ZINC001605148952 1018540235 /nfs/dbraw/zinc/54/02/35/1018540235.db2.gz UHINYVMKTDVXOZ-CQSZACIVSA-N -1 0 324.337 -0.412 20 0 DBADRM Cc1cc(CNC(=O)C(=O)NCCOCC(=O)[O-])ccc1F ZINC001605173254 1018542481 /nfs/dbraw/zinc/54/24/81/1018542481.db2.gz VLFFKWIFZXJCFQ-UHFFFAOYSA-N -1 0 312.297 -0.032 20 0 DBADRM CC[C@H](C(=O)NC[C@H](O)CC(=O)[O-])N1CCO[C@H](CC)C1 ZINC001605171819 1018543000 /nfs/dbraw/zinc/54/30/00/1018543000.db2.gz BMFCTMUSNOTFTE-IJLUTSLNSA-N -1 0 302.371 -0.172 20 0 DBADRM Cc1cc(CCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])no1 ZINC001605166169 1018544232 /nfs/dbraw/zinc/54/42/32/1018544232.db2.gz XJYJACHETHJLHV-JTQLQIEISA-N -1 0 316.335 -0.374 20 0 DBADRM Cc1cc(OCC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])no1 ZINC001605216676 1018544873 /nfs/dbraw/zinc/54/48/73/1018544873.db2.gz LQLGUVSUMZWEKJ-MRVPVSSYSA-N -1 0 318.307 -0.928 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)N[C@H](C)CC(=O)[O-])C2=O)n(C)n1 ZINC001605194354 1018545579 /nfs/dbraw/zinc/54/55/79/1018545579.db2.gz CQYIOFWYUBECBE-PSASIEDQSA-N -1 0 323.353 -0.004 20 0 DBADRM CCCC(=O)N1CSC[C@@H]1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001605191262 1018546208 /nfs/dbraw/zinc/54/62/08/1018546208.db2.gz YHECHUQNQRFNCJ-MRVPVSSYSA-N -1 0 302.352 -0.654 20 0 DBADRM CCC[C@H](C)C(=O)NCCNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001605206834 1018546467 /nfs/dbraw/zinc/54/64/67/1018546467.db2.gz YQAGWWAIMRWPBP-VIFPVBQESA-N -1 0 311.342 -0.355 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c(N(C)C)nn1 ZINC001605192187 1018547062 /nfs/dbraw/zinc/54/70/62/1018547062.db2.gz JHUAHZLDFGKEGD-SSDOTTSWSA-N -1 0 309.326 -0.374 20 0 DBADRM CCC[C@H](C(=O)NCc1ccc(C(=O)[O-])cn1)S(N)(=O)=O ZINC001605193351 1018547799 /nfs/dbraw/zinc/54/77/99/1018547799.db2.gz UQCVPDMEPDWWHX-SNVBAGLBSA-N -1 0 315.351 -0.147 20 0 DBADRM CCC[C@H](C(=O)Nc1cc(C(=O)[O-])n(C)n1)S(N)(=O)=O ZINC001605194064 1018548188 /nfs/dbraw/zinc/54/81/88/1018548188.db2.gz UEJXJDXXOUGBIZ-SSDOTTSWSA-N -1 0 304.328 -0.486 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001605245531 1018550105 /nfs/dbraw/zinc/55/01/05/1018550105.db2.gz CMMBJBKXZALNSN-VIFPVBQESA-N -1 0 301.343 -0.348 20 0 DBADRM CCCC[C@H](C(=O)[O-])S(=O)(=O)[C@@H](C)C(=O)NC(=O)NC ZINC001605236248 1018550491 /nfs/dbraw/zinc/55/04/91/1018550491.db2.gz XRYOLLWDHUGFPT-JGVFFNPUSA-N -1 0 308.356 -0.111 20 0 DBADRM COc1cc(OCC(=O)NCC(=O)[O-])ccc1-c1nn[nH]n1 ZINC001605239237 1018551045 /nfs/dbraw/zinc/55/10/45/1018551045.db2.gz PMWYQTCQCIBKKM-UHFFFAOYSA-N -1 0 307.266 -0.545 20 0 DBADRM CCCCN(CCCO)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605277097 1018554636 /nfs/dbraw/zinc/55/46/36/1018554636.db2.gz JEZWFSUQQAWXBS-PHIMTYICSA-N -1 0 300.355 -0.023 20 0 DBADRM CCCS(=O)(=O)CC(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001605345605 1018557472 /nfs/dbraw/zinc/55/74/72/1018557472.db2.gz IQCYLTMHGNOHRN-VIFPVBQESA-N -1 0 321.351 -0.570 20 0 DBADRM CCCNC(=O)CCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001605326397 1018557805 /nfs/dbraw/zinc/55/78/05/1018557805.db2.gz COFHZKSGJVSRRL-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM CCCN1CC(n2cc(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])nn2)C1 ZINC001605321705 1018557834 /nfs/dbraw/zinc/55/78/34/1018557834.db2.gz IIFPMGUWPNJNPZ-RYUDHWBXSA-N -1 0 307.354 -0.118 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605353812 1018562773 /nfs/dbraw/zinc/56/27/73/1018562773.db2.gz GBHIEXAPTIVQLP-DJLDLDEBSA-N -1 0 315.326 -0.844 20 0 DBADRM CS(=O)(=O)CCNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001605354445 1018563713 /nfs/dbraw/zinc/56/37/13/1018563713.db2.gz SNKIIGWAMNFQPM-UHFFFAOYSA-N -1 0 311.323 -0.653 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001605357815 1018565668 /nfs/dbraw/zinc/56/56/68/1018565668.db2.gz FBYFGZOXIAFIAC-QMMMGPOBSA-N -1 0 324.370 -0.968 20 0 DBADRM CCCc1cnc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])s1 ZINC001605378120 1018566673 /nfs/dbraw/zinc/56/66/73/1018566673.db2.gz NDFNJCXLSMBUKT-SSDOTTSWSA-N -1 0 315.351 -0.014 20 0 DBADRM CCC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)C(=O)[O-] ZINC001605358925 1018567012 /nfs/dbraw/zinc/56/70/12/1018567012.db2.gz MVDVSIZQGOGHGC-VHSXEESVSA-N -1 0 315.370 -0.238 20 0 DBADRM CCC[C@H](NS(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)[O-] ZINC001605360411 1018567531 /nfs/dbraw/zinc/56/75/31/1018567531.db2.gz HCSYSSFIRDIRNF-SKLCBMLGSA-N -1 0 301.390 -0.352 20 0 DBADRM Cc1ccnc(-n2nccc2NC(=O)C(=O)NCC(=O)[O-])c1 ZINC001605360047 1018568093 /nfs/dbraw/zinc/56/80/93/1018568093.db2.gz UJHUEYQIGCWQRG-UHFFFAOYSA-N -1 0 303.278 -0.285 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001605376564 1018568194 /nfs/dbraw/zinc/56/81/94/1018568194.db2.gz YIYSLLJPHRJYGG-ZKCHVHJHSA-N -1 0 313.335 -0.218 20 0 DBADRM Cc1nc(N2CCN(C(=O)[C@@]3(C(=O)[O-])CCCO3)CC2)n[nH]1 ZINC001605388354 1018570196 /nfs/dbraw/zinc/57/01/96/1018570196.db2.gz NPHANEJJDGZXRR-CYBMUJFWSA-N -1 0 309.326 -0.604 20 0 DBADRM Cc1nc([C@@H](C)NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])no1 ZINC001605397585 1018571282 /nfs/dbraw/zinc/57/12/82/1018571282.db2.gz RAZIGUCPDGNBDZ-SVRRBLITSA-N -1 0 304.328 -0.178 20 0 DBADRM CCCn1ncnc1CN1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001605390813 1018571521 /nfs/dbraw/zinc/57/15/21/1018571521.db2.gz MGFSNAKUOXVOEC-VXGBXAGGSA-N -1 0 321.381 -0.043 20 0 DBADRM CCN(C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C)[C@H]1CCOC1 ZINC001605391929 1018572291 /nfs/dbraw/zinc/57/22/91/1018572291.db2.gz ZRORBDJTDWROGA-JTQLQIEISA-N -1 0 324.337 -0.148 20 0 DBADRM CCCC1N=NC(=S)N1CC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001605383714 1018573255 /nfs/dbraw/zinc/57/32/55/1018573255.db2.gz VTNJKBWDRKAGFF-LBPRGKRZSA-N -1 0 314.367 -0.433 20 0 DBADRM CCN(CC(=O)[O-])CN1C(=O)N[C@](CC)(c2cnn(C)c2)C1=O ZINC001605415851 1018573967 /nfs/dbraw/zinc/57/39/67/1018573967.db2.gz XWASIPAKYXGSPG-CQSZACIVSA-N -1 0 323.353 -0.059 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)N(C)C ZINC001605404441 1018575995 /nfs/dbraw/zinc/57/59/95/1018575995.db2.gz BNVJTRHTODHSLL-ZCFIWIBFSA-N -1 0 314.327 -0.785 20 0 DBADRM Cc1nccc(CCC(=O)N2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC001605420399 1018577444 /nfs/dbraw/zinc/57/74/44/1018577444.db2.gz IEMJLBRZCHXCBJ-UHFFFAOYSA-N -1 0 306.322 -0.527 20 0 DBADRM CCN(CC)C(=O)CNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001605424926 1018578254 /nfs/dbraw/zinc/57/82/54/1018578254.db2.gz VSOUAXDQIHRXHM-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001605426773 1018579771 /nfs/dbraw/zinc/57/97/71/1018579771.db2.gz SJNIHBSBCFOIMC-DOLQZWNJSA-N -1 0 317.357 -0.198 20 0 DBADRM Cc1nccnc1N1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001605424140 1018579874 /nfs/dbraw/zinc/57/98/74/1018579874.db2.gz LVBDOKRVPWHLAS-LLVKDONJSA-N -1 0 319.321 -0.337 20 0 DBADRM Cc1nnc(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1C ZINC001605440101 1018581644 /nfs/dbraw/zinc/58/16/44/1018581644.db2.gz AGIKWAFGXIVCTI-ZANVPECISA-N -1 0 309.326 -0.634 20 0 DBADRM Cc1nnc(COCC(=O)N2CCOC[C@@H]2C(=O)[O-])s1 ZINC001605440112 1018581990 /nfs/dbraw/zinc/58/19/90/1018581990.db2.gz AKCCRQWICICMNJ-MRVPVSSYSA-N -1 0 301.324 -0.325 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001605433738 1018582114 /nfs/dbraw/zinc/58/21/14/1018582114.db2.gz DVTZUKNQSMRRAM-JTQLQIEISA-N -1 0 307.310 -0.078 20 0 DBADRM Cc1nn(C)c2c1cnn([C@@H]1CCN(CC(=O)[O-])C1=O)c2=O ZINC001605437602 1018583158 /nfs/dbraw/zinc/58/31/58/1018583158.db2.gz HELPSBJZNNMFPW-SECBINFHSA-N -1 0 305.294 -0.704 20 0 DBADRM CCN(CCO)C(=O)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001605448107 1018585593 /nfs/dbraw/zinc/58/55/93/1018585593.db2.gz TXNWIUMDCBVARR-UHFFFAOYSA-N -1 0 308.334 -0.229 20 0 DBADRM C[C@H]1[C@@H](O)CCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001605446216 1018585606 /nfs/dbraw/zinc/58/56/06/1018585606.db2.gz OIVSKLRMJMMUTA-YUMQZZPRSA-N -1 0 310.339 -0.595 20 0 DBADRM CCN(CCCNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC001605445006 1018585667 /nfs/dbraw/zinc/58/56/67/1018585667.db2.gz HXCMWVINISBUIE-MGCOHNPYSA-N -1 0 321.399 -0.180 20 0 DBADRM Cc1nnc(CN(C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-])o1 ZINC001605441371 1018586303 /nfs/dbraw/zinc/58/63/03/1018586303.db2.gz VZYQTKNJSGBYDO-UHFFFAOYSA-N -1 0 312.326 -0.046 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)n1C ZINC001605441103 1018587216 /nfs/dbraw/zinc/58/72/16/1018587216.db2.gz OLYRNOLTHSWBLJ-WPRPVWTQSA-N -1 0 323.353 -0.691 20 0 DBADRM CCN(CCNc1ccc2nnnn2n1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001605447997 1018587310 /nfs/dbraw/zinc/58/73/10/1018587310.db2.gz PCQCUMRYOJFTAB-DTWKUNHWSA-N -1 0 319.325 -0.500 20 0 DBADRM Cc1nn2cccnc2c1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001605441251 1018587700 /nfs/dbraw/zinc/58/77/00/1018587700.db2.gz XFDHCZROMSHGHP-VIFPVBQESA-N -1 0 318.289 -0.120 20 0 DBADRM Cc1oc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1S(C)(=O)=O ZINC001605454856 1018588583 /nfs/dbraw/zinc/58/85/83/1018588583.db2.gz OAZQBDIBFOVDPA-SECBINFHSA-N -1 0 317.319 -0.083 20 0 DBADRM Cc1nscc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001605455231 1018589855 /nfs/dbraw/zinc/58/98/55/1018589855.db2.gz CHOCGZOMXZFLME-MRVPVSSYSA-N -1 0 304.349 -0.225 20 0 DBADRM CCN(CCNC(=O)[C@H](C)CC(N)=O)c1ncc(C(=O)[O-])cn1 ZINC001605449918 1018589887 /nfs/dbraw/zinc/58/98/87/1018589887.db2.gz ZTVWZMOCFIHCDM-SECBINFHSA-N -1 0 323.353 -0.371 20 0 DBADRM CCN(Cc1cn(C)nn1)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001605461626 1018589906 /nfs/dbraw/zinc/58/99/06/1018589906.db2.gz HBCXSEBJSRGPTL-UHFFFAOYSA-N -1 0 315.311 -0.288 20 0 DBADRM Cc1noc(CCCNC(=O)c2cccn(CC(=O)[O-])c2=O)n1 ZINC001605448921 1018591157 /nfs/dbraw/zinc/59/11/57/1018591157.db2.gz OODZPGOGZXLLHN-UHFFFAOYSA-N -1 0 320.305 -0.013 20 0 DBADRM CCN1C[C@H](NC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1=O ZINC001605469511 1018592965 /nfs/dbraw/zinc/59/29/65/1018592965.db2.gz IUMIJQPAGXGRDZ-SECBINFHSA-N -1 0 307.306 -0.717 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])[C@H]3C[C@H]32)CC1=O ZINC001605470343 1018593834 /nfs/dbraw/zinc/59/38/34/1018593834.db2.gz BPAGDJZOSLNTTK-NZHYYXIDSA-N -1 0 316.379 -0.364 20 0 DBADRM Cn1c(=O)cc(NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)n(C)c1=O ZINC001605473454 1018596598 /nfs/dbraw/zinc/59/65/98/1018596598.db2.gz RYDVKOYFGALDMU-KGXJWFGYSA-N -1 0 323.349 -0.092 20 0 DBADRM Cn1c(SCC(=O)C(=O)[O-])nnc1[C@H]1CCS(=O)(=O)C1 ZINC001605473539 1018596878 /nfs/dbraw/zinc/59/68/78/1018596878.db2.gz WZZUNQDMSMENFH-LURJTMIESA-N -1 0 319.364 -0.537 20 0 DBADRM CCN1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1=O ZINC001605479174 1018597919 /nfs/dbraw/zinc/59/79/19/1018597919.db2.gz VINKAWGFPIKLPF-UHFFFAOYSA-N -1 0 315.351 -0.044 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001605484958 1018599576 /nfs/dbraw/zinc/59/95/76/1018599576.db2.gz CJKOOLAWRLZNOG-LLVKDONJSA-N -1 0 309.326 -0.920 20 0 DBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(Cc3nc(=O)n(C)[nH]3)C2)cn1 ZINC001605488769 1018599946 /nfs/dbraw/zinc/59/99/46/1018599946.db2.gz MCEQVNQIEWHLHZ-UWVGGRQHSA-N -1 0 320.353 -0.468 20 0 DBADRM CCN1CCO[C@H](C(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)C1 ZINC001605483013 1018600581 /nfs/dbraw/zinc/60/05/81/1018600581.db2.gz VIYZYVWOEWTXTB-VWYCJHECSA-N -1 0 314.338 -0.961 20 0 DBADRM CCN1CCN(CC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C(=O)C1=O ZINC001605481968 1018601259 /nfs/dbraw/zinc/60/12/59/1018601259.db2.gz KRFMQVQDGXSKHS-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN1CN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1=O ZINC001605485642 1018601474 /nfs/dbraw/zinc/60/14/74/1018601474.db2.gz LHIOKSLDJLWCAT-UHFFFAOYSA-N -1 0 302.312 -0.773 20 0 DBADRM CCN1CCO[C@@H](C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])C1 ZINC001605483108 1018601929 /nfs/dbraw/zinc/60/19/29/1018601929.db2.gz ZZXCTHAFGXUCFB-WDEREUQCSA-N -1 0 313.379 -0.024 20 0 DBADRM COCC1(C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)CC1 ZINC001501224997 1018602268 /nfs/dbraw/zinc/60/22/68/1018602268.db2.gz SSZXRXYDVBIAPQ-PHIMTYICSA-N -1 0 321.381 -0.173 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)C1 ZINC001605495290 1018603988 /nfs/dbraw/zinc/60/39/88/1018603988.db2.gz VKERSRXHVMQGRN-NAKRPEOUSA-N -1 0 313.354 -0.215 20 0 DBADRM Cn1cc(C[C@@H](CO)NC(=O)c2cc(C(=O)[O-])nn2C)cn1 ZINC001605491067 1018604060 /nfs/dbraw/zinc/60/40/60/1018604060.db2.gz LPGSYSPBNAEPKU-VIFPVBQESA-N -1 0 307.310 -0.815 20 0 DBADRM Cn1cc(CC2CN(C(=O)c3cn(CC(=O)[O-])nn3)C2)cn1 ZINC001605491289 1018604247 /nfs/dbraw/zinc/60/42/47/1018604247.db2.gz WSWLVZRSADJSSX-UHFFFAOYSA-N -1 0 304.310 -0.589 20 0 DBADRM Cn1cc(CC(=O)O[C@H]2CCCCN(CC(=O)[O-])C2=O)cn1 ZINC001605491177 1018604478 /nfs/dbraw/zinc/60/44/78/1018604478.db2.gz OXFYONHACQSLQJ-NSHDSACASA-N -1 0 309.322 -0.029 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001605492762 1018604490 /nfs/dbraw/zinc/60/44/90/1018604490.db2.gz BLRZTOHJHOXVHE-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM CCNC(=O)CNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001605493508 1018604542 /nfs/dbraw/zinc/60/45/42/1018604542.db2.gz UVBOLQUQNGPJCM-UHFFFAOYSA-N -1 0 301.324 -0.497 20 0 DBADRM Cn1cc(C[C@H](CO)NC(=O)c2cc(C(=O)[O-])nn2C)cn1 ZINC001605491064 1018604587 /nfs/dbraw/zinc/60/45/87/1018604587.db2.gz LPGSYSPBNAEPKU-SECBINFHSA-N -1 0 307.310 -0.815 20 0 DBADRM CCNC(=O)C[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001605490746 1018604820 /nfs/dbraw/zinc/60/48/20/1018604820.db2.gz XCUXSMFRTGYIAJ-JTQLQIEISA-N -1 0 323.353 -0.116 20 0 DBADRM CCNC(=O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(C)C ZINC001605496266 1018605062 /nfs/dbraw/zinc/60/50/62/1018605062.db2.gz WAPTYBUGDWPSRO-VIFPVBQESA-N -1 0 318.355 -0.453 20 0 DBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)Cc3nnc[nH]3)C2)cn1 ZINC001605490986 1018605078 /nfs/dbraw/zinc/60/50/78/1018605078.db2.gz MOWRWYYXLOZGAH-UWVGGRQHSA-N -1 0 318.337 -0.202 20 0 DBADRM Cn1cc(CC(=O)O[C@@H]2CCCCN(CC(=O)[O-])C2=O)cn1 ZINC001605491176 1018605671 /nfs/dbraw/zinc/60/56/71/1018605671.db2.gz OXFYONHACQSLQJ-LLVKDONJSA-N -1 0 309.322 -0.029 20 0 DBADRM CCOC(=O)[C@H](CC)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001605507009 1018606990 /nfs/dbraw/zinc/60/69/90/1018606990.db2.gz BXDFHNKMGWZBTP-SECBINFHSA-N -1 0 310.310 -0.051 20 0 DBADRM CCOC(=O)[C@@H](CC)C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001605509112 1018607086 /nfs/dbraw/zinc/60/70/86/1018607086.db2.gz QSOVSYVHQHSMPT-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM CCOC(=O)C(=O)N1CCN(c2ncncc2C(=O)[O-])CC1 ZINC001605503624 1018607598 /nfs/dbraw/zinc/60/75/98/1018607598.db2.gz FFXHEGYUVGVDGA-UHFFFAOYSA-N -1 0 308.294 -0.614 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N(C)CCC(N)=O ZINC001605505021 1018607614 /nfs/dbraw/zinc/60/76/14/1018607614.db2.gz SOBGCTKZPQSWTR-UHFFFAOYSA-N -1 0 305.298 -0.777 20 0 DBADRM Cn1cc(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)c(C(N)=O)n1 ZINC001605501431 1018607909 /nfs/dbraw/zinc/60/79/09/1018607909.db2.gz CHUYGEWNLBJBTN-SFYZADRCSA-N -1 0 310.310 -0.273 20 0 DBADRM CCOC(=O)[C@@H](C)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001605507844 1018608149 /nfs/dbraw/zinc/60/81/49/1018608149.db2.gz IJDXPUJIXYTLJJ-BXUZGUMPSA-N -1 0 300.355 -0.201 20 0 DBADRM Cn1ccc(CCNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001605505731 1018608187 /nfs/dbraw/zinc/60/81/87/1018608187.db2.gz ONMKBWHMLMPIKH-LLVKDONJSA-N -1 0 308.338 -0.598 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N1CCOC[C@@H]1C(=O)[O-])C(C)=O ZINC001605508384 1018608663 /nfs/dbraw/zinc/60/86/63/1018608663.db2.gz MIZFURBRJITPHD-NXEZZACHSA-N -1 0 301.295 -0.543 20 0 DBADRM Cn1ccnc1[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001605512464 1018609655 /nfs/dbraw/zinc/60/96/55/1018609655.db2.gz UDVIAGPUUHKXRY-WDEREUQCSA-N -1 0 320.349 -0.331 20 0 DBADRM Cn1cccc1C(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001605511589 1018610383 /nfs/dbraw/zinc/61/03/83/1018610383.db2.gz NZMWRYZXDLJWOT-JTQLQIEISA-N -1 0 300.336 -0.609 20 0 DBADRM CCOC(=O)C1(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC001605515178 1018610518 /nfs/dbraw/zinc/61/05/18/1018610518.db2.gz LPMVTAKDLQVUQE-YUMQZZPRSA-N -1 0 300.311 -0.576 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NC[C@@H]1CNC(=O)C1 ZINC001605509145 1018610552 /nfs/dbraw/zinc/61/05/52/1018610552.db2.gz ACDJBXJKXXPJEJ-ZETCQYMHSA-N -1 0 317.309 -0.858 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1)C(C)=O ZINC001605510174 1018611496 /nfs/dbraw/zinc/61/14/96/1018611496.db2.gz ZJCOYOGPOLLRCR-FBIMIBRVSA-N -1 0 315.322 -0.155 20 0 DBADRM Cn1ccnc1[C@@H]1C[C@H](NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001605512633 1018611681 /nfs/dbraw/zinc/61/16/81/1018611681.db2.gz YCNMOVZCQXYVIE-MIMYLULJSA-N -1 0 322.321 -0.014 20 0 DBADRM CCOC(=O)[C@H]1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001605526992 1018612871 /nfs/dbraw/zinc/61/28/71/1018612871.db2.gz PUWRMATWAGCXHO-ZETCQYMHSA-N -1 0 317.323 -0.318 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001605534130 1018613643 /nfs/dbraw/zinc/61/36/43/1018613643.db2.gz UGZDQICTXGCJNP-SNVBAGLBSA-N -1 0 310.354 -0.305 20 0 DBADRM Cn1cnnc1COCC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001605528643 1018613775 /nfs/dbraw/zinc/61/37/75/1018613775.db2.gz OMXQDGVYZBIBKM-UHFFFAOYSA-N -1 0 312.326 -0.528 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCO1 ZINC001605527418 1018614339 /nfs/dbraw/zinc/61/43/39/1018614339.db2.gz ULKUMFMXFSYUEK-OPRDCNLKSA-N -1 0 300.311 -0.177 20 0 DBADRM Cn1nc2c(c1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-])CCC2 ZINC001605553845 1018621200 /nfs/dbraw/zinc/62/12/00/1018621200.db2.gz WCYVORJKCUHEJA-GFCCVEGCSA-N -1 0 313.379 -0.408 20 0 DBADRM Cn1ncc(CCCNC(=O)Nc2ccn(CC(=O)[O-])n2)n1 ZINC001605559076 1018623517 /nfs/dbraw/zinc/62/35/17/1018623517.db2.gz CSDJIPJEBXHZRT-UHFFFAOYSA-N -1 0 307.314 -0.150 20 0 DBADRM Cn1nccc1[C@@H](NCC(=O)NCc1cccnc1)C(=O)[O-] ZINC001605567538 1018623620 /nfs/dbraw/zinc/62/36/20/1018623620.db2.gz FSGFOXQQTCHXFX-CYBMUJFWSA-N -1 0 303.322 -0.153 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)OCC(=O)C(=O)[O-])[nH]c2=O ZINC001605561365 1018624135 /nfs/dbraw/zinc/62/41/35/1018624135.db2.gz GAUILKUOOABBEN-UHFFFAOYSA-N -1 0 308.250 -0.802 20 0 DBADRM Cn1ncc2c1CCCN(CCS(=O)(=O)CC(=O)[O-])C2 ZINC001605561957 1018624380 /nfs/dbraw/zinc/62/43/80/1018624380.db2.gz ZFCQRBMTSBSXTH-UHFFFAOYSA-N -1 0 301.368 -0.332 20 0 DBADRM Cn1nccc1[C@H](NC(=O)C[C@@H]1CCCS1(=O)=O)C(=O)[O-] ZINC001605563931 1018624667 /nfs/dbraw/zinc/62/46/67/1018624667.db2.gz QRZCHVFFJWCVDT-KWQFWETISA-N -1 0 315.351 -0.371 20 0 DBADRM Cn1ncc2c1CCCN(C(=O)c1cn(CC(=O)[O-])nn1)C2 ZINC001605561955 1018625299 /nfs/dbraw/zinc/62/52/99/1018625299.db2.gz ZDWMFIHHBKZGHD-UHFFFAOYSA-N -1 0 304.310 -0.315 20 0 DBADRM CCOC(=O)c1c(C)n[nH]c1CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001605564174 1018625483 /nfs/dbraw/zinc/62/54/83/1018625483.db2.gz UBRFAULEXHEJET-JTQLQIEISA-N -1 0 324.337 -0.330 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@@H]1CCCc2nn[nH]c21)C(=O)[O-] ZINC001605562472 1018625494 /nfs/dbraw/zinc/62/54/94/1018625494.db2.gz BJIXTZHWDVIYOA-HQJQHLMTSA-N -1 0 304.310 -0.100 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O)CC2 ZINC001605571105 1018627119 /nfs/dbraw/zinc/62/71/19/1018627119.db2.gz KGIVWJYIUJLEMZ-GZMMTYOYSA-N -1 0 322.321 -0.851 20 0 DBADRM Cn1nnc2cc(C(=O)O[C@H]3CCN(CC(=O)[O-])C3=O)ccc21 ZINC001605576147 1018627639 /nfs/dbraw/zinc/62/76/39/1018627639.db2.gz JCFHERBZZVSMPX-NSHDSACASA-N -1 0 318.289 -0.189 20 0 DBADRM CCOC(=O)c1nccc(N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])n1 ZINC001605583262 1018628086 /nfs/dbraw/zinc/62/80/86/1018628086.db2.gz WUUASVYEUWVEHF-YUMQZZPRSA-N -1 0 310.310 -0.535 20 0 DBADRM Cn1nnc(NC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)n1 ZINC001605571659 1018628446 /nfs/dbraw/zinc/62/84/46/1018628446.db2.gz XQNXREODEVMOCJ-XIGTVVQJSA-N -1 0 310.314 -0.256 20 0 DBADRM Cn1nnnc1C1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001605576113 1018628624 /nfs/dbraw/zinc/62/86/24/1018628624.db2.gz HWSQXYSSOCIYEG-CYBMUJFWSA-N -1 0 309.326 -0.450 20 0 DBADRM CCO[C@H]1C[C@@](NC(=O)[C@@H]2COC(=O)N2)(C(=O)[O-])C1(C)C ZINC001605603099 1018630991 /nfs/dbraw/zinc/63/09/91/1018630991.db2.gz ABJPOXVVEXHLSJ-UVPNAGLESA-N -1 0 300.311 -0.131 20 0 DBADRM CCO[C@@H]1[C@H](C)[C@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001605598179 1018631161 /nfs/dbraw/zinc/63/11/61/1018631161.db2.gz XOYJMLWYMIMDED-WPSCEVPVSA-N -1 0 319.379 -0.339 20 0 DBADRM CCO[C@H]1C[C@](NC(=O)CS(C)(=O)=O)(C(=O)[O-])C1(C)C ZINC001605603851 1018631463 /nfs/dbraw/zinc/63/14/63/1018631463.db2.gz HPHMSPQYPHANTF-UFBFGSQYSA-N -1 0 307.368 -0.194 20 0 DBADRM CCO[C@H]1C[C@@](NC(=O)CCNC(N)=O)(C(=O)[O-])C1(C)C ZINC001605603813 1018631615 /nfs/dbraw/zinc/63/16/15/1018631615.db2.gz GQHJDMCJTHIIQI-ISVAXAHUSA-N -1 0 301.343 -0.181 20 0 DBADRM CCO[C@H]1COCC[C@H]1NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001605616959 1018634093 /nfs/dbraw/zinc/63/40/93/1018634093.db2.gz UJDAVMCIPBNWGA-ZJUUUORDSA-N -1 0 307.368 -0.035 20 0 DBADRM CCOCC(=O)N1CC[C@@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001605619051 1018634414 /nfs/dbraw/zinc/63/44/14/1018634414.db2.gz RSTXYTQMNBPXMO-JTQLQIEISA-N -1 0 308.338 -0.106 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001605624309 1018634936 /nfs/dbraw/zinc/63/49/36/1018634936.db2.gz AKPXDJADTOUQKI-JTQLQIEISA-N -1 0 313.310 -0.382 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001605624971 1018635495 /nfs/dbraw/zinc/63/54/95/1018635495.db2.gz QRINAVJABRHKCC-UTLUCORTSA-N -1 0 324.399 -0.444 20 0 DBADRM CCOCC(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001605619147 1018636517 /nfs/dbraw/zinc/63/65/17/1018636517.db2.gz UAZFDVXVTVKVMY-ZJUUUORDSA-N -1 0 324.337 -0.733 20 0 DBADRM NC(=O)CN1CCN(CCOc2ccccc2C(=O)[O-])CC1=O ZINC001605631990 1018637080 /nfs/dbraw/zinc/63/70/80/1018637080.db2.gz XLYFPRKDWPMESR-UHFFFAOYSA-N -1 0 321.333 -0.607 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605626358 1018637185 /nfs/dbraw/zinc/63/71/85/1018637185.db2.gz DFYXSMQIEPEIKC-UTLUCORTSA-N -1 0 311.338 -0.920 20 0 DBADRM NC(=O)COc1cccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)c1 ZINC001605631830 1018638343 /nfs/dbraw/zinc/63/83/43/1018638343.db2.gz LCVUYDXANYLZBL-SNVBAGLBSA-N -1 0 307.262 -0.281 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC001605626311 1018638527 /nfs/dbraw/zinc/63/85/27/1018638527.db2.gz ZZNBIYJYFNSISX-BDAKNGLRSA-N -1 0 310.372 -0.786 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC001605627188 1018638650 /nfs/dbraw/zinc/63/86/50/1018638650.db2.gz WFPSWEBUUNUMAQ-UYUMYWFVSA-N -1 0 310.350 -0.162 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001605627435 1018638847 /nfs/dbraw/zinc/63/88/47/1018638847.db2.gz CPBIMOMLFUWHED-SSDOTTSWSA-N -1 0 306.278 -0.948 20 0 DBADRM CCOCCNC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001605636812 1018639645 /nfs/dbraw/zinc/63/96/45/1018639645.db2.gz FESZKUZQBNMULS-LLVKDONJSA-N -1 0 315.370 -0.854 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC001605635296 1018640273 /nfs/dbraw/zinc/64/02/73/1018640273.db2.gz RKJDHGGHHMJUBR-KYZUINATSA-N -1 0 309.326 -0.616 20 0 DBADRM NC(=O)c1cnc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC001605642722 1018640296 /nfs/dbraw/zinc/64/02/96/1018640296.db2.gz JBWDXIKDZLSVCE-MRVPVSSYSA-N -1 0 313.697 -0.241 20 0 DBADRM CCOCCOCCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001605639038 1018640548 /nfs/dbraw/zinc/64/05/48/1018640548.db2.gz IDRFEAIHXSSEPE-LBPRGKRZSA-N -1 0 318.370 -0.093 20 0 DBADRM CCOC[C@H](C)NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001605641251 1018641292 /nfs/dbraw/zinc/64/12/92/1018641292.db2.gz WFEZNEKOYSKXPO-AEJSXWLSSA-N -1 0 302.327 -0.772 20 0 DBADRM NC(=O)c1cnc(C(=O)N2CCOC[C@H]2C(=O)[O-])c(Cl)c1 ZINC001605642724 1018641389 /nfs/dbraw/zinc/64/13/89/1018641389.db2.gz JBWDXIKDZLSVCE-QMMMGPOBSA-N -1 0 313.697 -0.241 20 0 DBADRM CCOCCn1cc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])cn1 ZINC001605640468 1018641538 /nfs/dbraw/zinc/64/15/38/1018641538.db2.gz GXLOAJYWHALZQK-LBPRGKRZSA-N -1 0 321.337 -0.001 20 0 DBADRM NS(=O)(=O)CCCNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001605643586 1018642514 /nfs/dbraw/zinc/64/25/14/1018642514.db2.gz ZZDJUIFRXAYARX-DTWKUNHWSA-N -1 0 308.356 -0.949 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC(C(=O)[O-])C2)c(Cl)o1 ZINC001605650269 1018642635 /nfs/dbraw/zinc/64/26/35/1018642635.db2.gz XUMATIFDLQFWSL-UHFFFAOYSA-N -1 0 308.699 -0.263 20 0 DBADRM CCON(CC)C(=O)CNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001605648096 1018642886 /nfs/dbraw/zinc/64/28/86/1018642886.db2.gz BEPDTTWDCBXQRG-UHFFFAOYSA-N -1 0 322.383 -0.039 20 0 DBADRM CCO[C@@H]1COC[C@H]1N1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001605651751 1018643136 /nfs/dbraw/zinc/64/31/36/1018643136.db2.gz RTNKSFMUMIZKBC-LMLFDSFASA-N -1 0 312.322 -0.082 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)s1 ZINC001605649907 1018643806 /nfs/dbraw/zinc/64/38/06/1018643806.db2.gz LWJKYHZTOHOZEN-OLQVQODUSA-N -1 0 304.349 -0.012 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCCC(=O)C1CC1 ZINC001605676987 1018645962 /nfs/dbraw/zinc/64/59/62/1018645962.db2.gz BQKCFOFSKMYJSY-SNVBAGLBSA-N -1 0 317.363 -0.154 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCCC(=O)Nc2cccnc2)C1 ZINC001605680552 1018646460 /nfs/dbraw/zinc/64/64/60/1018646460.db2.gz UNXXGPZEIYKSOM-SNVBAGLBSA-N -1 0 306.278 -0.244 20 0 DBADRM Nc1ncncc1CNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001605660808 1018646951 /nfs/dbraw/zinc/64/69/51/1018646951.db2.gz VUFLUQSFJGNZCW-UHFFFAOYSA-N -1 0 303.278 -0.765 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NC(=O)CCNC(=O)CO)c2ccccc21 ZINC001605698785 1018648647 /nfs/dbraw/zinc/64/86/47/1018648647.db2.gz KCFOPZMXNSRFPI-RYUDHWBXSA-N -1 0 306.318 -0.086 20 0 DBADRM Cc1cc(NC(=O)Cn2cccc(-c3nnn[n-]3)c2=O)on1 ZINC001605707992 1018649088 /nfs/dbraw/zinc/64/90/88/1018649088.db2.gz HGAQHPVLAUJTFT-UHFFFAOYSA-N -1 0 301.266 -0.036 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001605720236 1018649109 /nfs/dbraw/zinc/64/91/09/1018649109.db2.gz GQYZXSQTMIQRSN-UTINFBMNSA-N -1 0 307.368 -0.196 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001605718193 1018649625 /nfs/dbraw/zinc/64/96/25/1018649625.db2.gz CKJLYAJOVHZETG-UHFFFAOYSA-N -1 0 301.324 -0.773 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CNC(=O)c1ncccc1O ZINC001605698717 1018650037 /nfs/dbraw/zinc/65/00/37/1018650037.db2.gz NCQCTPAVKBYILF-BDAKNGLRSA-N -1 0 307.306 -0.114 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001605719965 1018650182 /nfs/dbraw/zinc/65/01/82/1018650182.db2.gz FTBMBQUGZCCDHZ-GUBZILKMSA-N -1 0 322.383 -0.307 20 0 DBADRM CCOc1ccc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])cn1 ZINC001605699272 1018650505 /nfs/dbraw/zinc/65/05/05/1018650505.db2.gz RPPDBPACAWOWBK-QMMMGPOBSA-N -1 0 304.324 -0.406 20 0 DBADRM CCOc1ncccc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001605722105 1018651848 /nfs/dbraw/zinc/65/18/48/1018651848.db2.gz KMZXEYVGRLYVJO-QMMMGPOBSA-N -1 0 311.294 -0.629 20 0 DBADRM CCS(=O)(=O)CCNC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001605726451 1018652343 /nfs/dbraw/zinc/65/23/43/1018652343.db2.gz CYWHVOITHRWVRM-UHFFFAOYSA-N -1 0 317.367 -0.088 20 0 DBADRM CCS(=O)(=O)NCC(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC001605727836 1018652643 /nfs/dbraw/zinc/65/26/43/1018652643.db2.gz PYSRBNCHZXUTIY-UHFFFAOYSA-N -1 0 321.380 -0.328 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)O[C@H](COC)C(=O)[O-])C1 ZINC001605724997 1018652857 /nfs/dbraw/zinc/65/28/57/1018652857.db2.gz DEOBTNBCBWTXHA-NXEZZACHSA-N -1 0 323.367 -0.309 20 0 DBADRM CC[S@](=O)CCNC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001605736849 1018654224 /nfs/dbraw/zinc/65/42/24/1018654224.db2.gz RPPDYNCJFGAQIL-HORACTTISA-N -1 0 320.367 -0.730 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001605729596 1018654309 /nfs/dbraw/zinc/65/43/09/1018654309.db2.gz AIRJEFGUOWBLMC-UHFFFAOYSA-N -1 0 306.282 -0.559 20 0 DBADRM CCSCCCNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001605738610 1018655688 /nfs/dbraw/zinc/65/56/88/1018655688.db2.gz AVJIHTIBIHMJBB-VHSXEESVSA-N -1 0 318.395 -0.460 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H](CO)[C@H](O)c2cccnc2)cn1 ZINC001605729143 1018656027 /nfs/dbraw/zinc/65/60/27/1018656027.db2.gz IELZPVRUJZELLN-QWHCGFSZSA-N -1 0 317.301 -0.001 20 0 DBADRM CCSCCCNC(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001605738939 1018656119 /nfs/dbraw/zinc/65/61/19/1018656119.db2.gz XHOATTQCXKAVGD-ZDUSSCGKSA-N -1 0 318.395 -0.052 20 0 DBADRM CC[S@@](=O)CCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001605736676 1018656550 /nfs/dbraw/zinc/65/65/50/1018656550.db2.gz PMJATELGLWKRQS-GSDQLPOLSA-N -1 0 304.368 -0.663 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@H]2C(=O)NCC23CCOCC3)[nH]n1 ZINC001605744846 1018656902 /nfs/dbraw/zinc/65/69/02/1018656902.db2.gz WIWZRQYYNZXWPE-VIFPVBQESA-N -1 0 308.294 -0.867 20 0 DBADRM CCc1[nH]c(C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(C)c1C(=O)[O-] ZINC001605765645 1018657915 /nfs/dbraw/zinc/65/79/15/1018657915.db2.gz ODQTUCDCOFUTGN-OCAPTIKFSA-N -1 0 319.317 -0.072 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCc3c[nH]nc32)C1 ZINC001605749247 1018658359 /nfs/dbraw/zinc/65/83/59/1018658359.db2.gz FIBZCBRWBNIWNH-ZJUUUORDSA-N -1 0 306.322 -0.164 20 0 DBADRM O=C([O-])C1(CNC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CCOCC1 ZINC001605762510 1018658759 /nfs/dbraw/zinc/65/87/59/1018658759.db2.gz XGYQVKRSGNFTTF-GHMZBOCLSA-N -1 0 324.337 -0.415 20 0 DBADRM O=C([O-])C1(CNC(=O)C2=C3CCCN=C3NN2)CCOCC1 ZINC001605762416 1018659930 /nfs/dbraw/zinc/65/99/30/1018659930.db2.gz AYKRDGFERPFTKB-UHFFFAOYSA-N -1 0 308.338 -0.462 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@H]2CCO)C1 ZINC001605749332 1018660033 /nfs/dbraw/zinc/66/00/33/1018660033.db2.gz JUHGJFDAOYZOAE-SRVKXCTJSA-N -1 0 312.366 -0.023 20 0 DBADRM CCc1n[nH]cc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605777548 1018660714 /nfs/dbraw/zinc/66/07/14/1018660714.db2.gz MUHJGQRLMZURRW-ZJUUUORDSA-N -1 0 320.349 -0.119 20 0 DBADRM CCc1n[nH]cc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001605777545 1018661408 /nfs/dbraw/zinc/66/14/08/1018661408.db2.gz MUHJGQRLMZURRW-NXEZZACHSA-N -1 0 320.349 -0.119 20 0 DBADRM O=C([O-])c1ccccc1CNC(=O)NCCN1C(=O)CNC1=O ZINC001605780599 1018661553 /nfs/dbraw/zinc/66/15/53/1018661553.db2.gz PGZQIFFZUDVYHZ-UHFFFAOYSA-N -1 0 320.305 -0.264 20 0 DBADRM CCc1cc(NC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)n[nH]1 ZINC001605801060 1018661654 /nfs/dbraw/zinc/66/16/54/1018661654.db2.gz PKRJCOVPPIQPJZ-UHFFFAOYSA-N -1 0 306.282 -0.019 20 0 DBADRM CCc1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)[nH]n1 ZINC001605785414 1018661755 /nfs/dbraw/zinc/66/17/55/1018661755.db2.gz ZONJLODMOLCNSC-GHMZBOCLSA-N -1 0 320.349 -0.023 20 0 DBADRM CCc1cc(NC(=O)C(=O)N[C@]2(CC(=O)[O-])CCOC2)n(C)n1 ZINC001605799852 1018662047 /nfs/dbraw/zinc/66/20/47/1018662047.db2.gz RNVHTGVQMROZJK-AWEZNQCLSA-N -1 0 324.337 -0.329 20 0 DBADRM CCc1c(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)[nH]c(C)c1C(N)=O ZINC001605777186 1018662162 /nfs/dbraw/zinc/66/21/62/1018662162.db2.gz FDSCOZBHHHEMRW-DTWKUNHWSA-N -1 0 323.349 -0.108 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)NCCCn2cccn2)CC1 ZINC001605780359 1018662291 /nfs/dbraw/zinc/66/22/91/1018662291.db2.gz FXDBBVYOHYWAHW-UHFFFAOYSA-N -1 0 308.338 -0.287 20 0 DBADRM CCc1n[nH]cc1C(=O)NCC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605777546 1018662350 /nfs/dbraw/zinc/66/23/50/1018662350.db2.gz MUHJGQRLMZURRW-UWVGGRQHSA-N -1 0 320.349 -0.119 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCn2cccn2)C[C@H]1C1CC1 ZINC001605792652 1018662413 /nfs/dbraw/zinc/66/24/13/1018662413.db2.gz IINARWAUAULNKW-NWDGAFQWSA-N -1 0 320.349 -0.432 20 0 DBADRM CCc1cc(CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])n[nH]1 ZINC001605798265 1018662581 /nfs/dbraw/zinc/66/25/81/1018662581.db2.gz KQNMEIGHNMTGKT-YUMQZZPRSA-N -1 0 311.342 -0.251 20 0 DBADRM CCc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n(C)n1 ZINC001605785245 1018663424 /nfs/dbraw/zinc/66/34/24/1018663424.db2.gz PZANZTRMAQHTKC-WDEREUQCSA-N -1 0 320.349 -0.356 20 0 DBADRM O=C([O-])c1ccccc1CNC(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001605806997 1018665334 /nfs/dbraw/zinc/66/53/34/1018665334.db2.gz VRLTXDGDIKFYMP-GDNZZTSVSA-N -1 0 304.302 -0.238 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cn1 ZINC001605861119 1018665445 /nfs/dbraw/zinc/66/54/45/1018665445.db2.gz JMSVSEIXQDKLMO-ONGXEEELSA-N -1 0 322.321 -0.586 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2cccc(F)n2)CCO1 ZINC001605806403 1018666159 /nfs/dbraw/zinc/66/61/59/1018666159.db2.gz CPJWURIPAOMKHR-SECBINFHSA-N -1 0 311.269 -0.851 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1nc2n(n1)CCCN2)c1ccccc1 ZINC001605825543 1018666574 /nfs/dbraw/zinc/66/65/74/1018666574.db2.gz IXKYUKAAQBFKCK-JTQLQIEISA-N -1 0 301.306 -0.093 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N(CCO)CCCO ZINC001605863059 1018667294 /nfs/dbraw/zinc/66/72/94/1018667294.db2.gz GOZMVDWJEFEWID-UHFFFAOYSA-N -1 0 310.306 -0.473 20 0 DBADRM CCc1noc([C@@H](C)S(=O)(=O)C[C@H](NC(C)=O)C(=O)[O-])n1 ZINC001605874549 1018668037 /nfs/dbraw/zinc/66/80/37/1018668037.db2.gz VSOHYCIIBYZBEA-SVRRBLITSA-N -1 0 319.339 -0.303 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001605866309 1018668569 /nfs/dbraw/zinc/66/85/69/1018668569.db2.gz IEOWAMCCVJRCEH-NSHDSACASA-N -1 0 303.340 -0.807 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N2CCO[C@@H](CF)C2)c1 ZINC001605870880 1018669095 /nfs/dbraw/zinc/66/90/95/1018669095.db2.gz JIYAQWFFZLHLEG-JTQLQIEISA-N -1 0 311.269 -0.085 20 0 DBADRM CCc1nnsc1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001605873033 1018669897 /nfs/dbraw/zinc/66/98/97/1018669897.db2.gz DMBCBPBKRAWYGS-WDSKDSINSA-N -1 0 300.340 -0.192 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1 ZINC001605885442 1018670147 /nfs/dbraw/zinc/67/01/47/1018670147.db2.gz IPDMYIKUXAWYLB-UHFFFAOYSA-N -1 0 316.317 -0.139 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)C2(Br)CC2)CC1 ZINC001605885432 1018670470 /nfs/dbraw/zinc/67/04/70/1018670470.db2.gz HPGPEPXOHNFWEZ-UHFFFAOYSA-N -1 0 305.128 -0.331 20 0 DBADRM O=C([O-])[C@H](C(=O)NCc1nnc2c(=O)[nH]ccn12)C1CCCC1 ZINC001605898185 1018671421 /nfs/dbraw/zinc/67/14/21/1018671421.db2.gz OQMJJRFCYBTHPF-JTQLQIEISA-N -1 0 319.321 -0.075 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC001605885807 1018671677 /nfs/dbraw/zinc/67/16/77/1018671677.db2.gz RDHLGCUSAKAXIL-UHFFFAOYSA-N -1 0 319.277 -0.968 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CO)C(=O)OC ZINC001605886173 1018672323 /nfs/dbraw/zinc/67/23/23/1018672323.db2.gz RFZVFJHTMMDQPE-ZCFIWIBFSA-N -1 0 321.307 -0.648 20 0 DBADRM O=C([O-])C(=O)N1CCN(CC[S@@](=O)C(F)(F)F)CC1 ZINC001605886115 1018672455 /nfs/dbraw/zinc/67/24/55/1018672455.db2.gz NVMFXCMMHBPLST-LJQANCHMSA-N -1 0 302.274 -0.516 20 0 DBADRM O=C([O-])C1(C(=O)N2CC[C@@]23CCOC3)CCS(=O)(=O)CC1 ZINC001605912240 1018672467 /nfs/dbraw/zinc/67/24/67/1018672467.db2.gz KSFDVLZDZULQSX-LBPRGKRZSA-N -1 0 317.363 -0.343 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC001605885704 1018672910 /nfs/dbraw/zinc/67/29/10/1018672910.db2.gz FMYHGAVNYONSCL-LBPRGKRZSA-N -1 0 314.382 -0.481 20 0 DBADRM O=C([O-])[C@H](C1CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001605900745 1018673351 /nfs/dbraw/zinc/67/33/51/1018673351.db2.gz QCSABKREUYBOQP-RYUDHWBXSA-N -1 0 302.396 -0.346 20 0 DBADRM O=C([O-])C1(C(=O)NC2CC(N3CCOCC3)C2)CCOCC1 ZINC001605917735 1018674382 /nfs/dbraw/zinc/67/43/82/1018674382.db2.gz YFIAFIGMGUPUOK-UHFFFAOYSA-N -1 0 312.366 -0.153 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H](CO)C2CC2)CCS(=O)(=O)CC1 ZINC001605917046 1018675699 /nfs/dbraw/zinc/67/56/99/1018675699.db2.gz JPHXCUPTCRLHIJ-VIFPVBQESA-N -1 0 305.352 -0.847 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)CCCO1 ZINC001605923125 1018674926 /nfs/dbraw/zinc/67/49/26/1018674926.db2.gz TZXADNNRQLVMHN-GGLDHJKQSA-N -1 0 317.363 -0.155 20 0 DBADRM CCn1cc(C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001605915634 1018675027 /nfs/dbraw/zinc/67/50/27/1018675027.db2.gz SYWSBZWZEFPHIZ-NWDGAFQWSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1cc(CNC(=O)NC[C@H]2C[C@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC001605921793 1018675421 /nfs/dbraw/zinc/67/54/21/1018675421.db2.gz GMVLCPVOXIPPEO-VXNVDRBHSA-N -1 0 310.310 -0.511 20 0 DBADRM CCn1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001605915633 1018675508 /nfs/dbraw/zinc/67/55/08/1018675508.db2.gz SYWSBZWZEFPHIZ-NEPJUHHUSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cn1 ZINC001605915737 1018675725 /nfs/dbraw/zinc/67/57/25/1018675725.db2.gz WRBMVZZCKDWVQO-SECBINFHSA-N -1 0 301.324 -0.773 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@H]2CCCO2)CCS(=O)(=O)CC1 ZINC001605924133 1018675733 /nfs/dbraw/zinc/67/57/33/1018675733.db2.gz PKTXSBXYEOFTFJ-VIFPVBQESA-N -1 0 305.352 -0.439 20 0 DBADRM CCn1[nH]c(C)nc1=NC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001605939153 1018676466 /nfs/dbraw/zinc/67/64/66/1018676466.db2.gz UYOPLLHQVSYBTE-SECBINFHSA-N -1 0 324.341 -0.775 20 0 DBADRM CCn1nc(C)cc1NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001605938679 1018676519 /nfs/dbraw/zinc/67/65/19/1018676519.db2.gz ADJYIBOOLZOZST-NXEZZACHSA-N -1 0 324.337 -0.150 20 0 DBADRM O=C([O-])C1(C(=O)NCCOCC2CC2)CCS(=O)(=O)CC1 ZINC001605928505 1018677776 /nfs/dbraw/zinc/67/77/76/1018677776.db2.gz GRGHZOSENVIOJU-UHFFFAOYSA-N -1 0 319.379 -0.191 20 0 DBADRM CCn1nc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)ccc1=O ZINC001605934016 1018677922 /nfs/dbraw/zinc/67/79/22/1018677922.db2.gz YZQIDWOCRRDWAY-ZUZCIYMTSA-N -1 0 321.333 -0.174 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)c1 ZINC001605932339 1018678162 /nfs/dbraw/zinc/67/81/62/1018678162.db2.gz IFBGQCKAZYATFD-JTQLQIEISA-N -1 0 313.339 -0.259 20 0 DBADRM O=C([O-])C1(C(=O)NCCc2nnc3c(=O)[nH]ccn23)CC=CC1 ZINC001605928616 1018678268 /nfs/dbraw/zinc/67/82/68/1018678268.db2.gz PAPGRGLQXQWXLR-UHFFFAOYSA-N -1 0 317.305 -0.503 20 0 DBADRM CCn1ncc(C(=O)CN2C(=O)N[C@@](C)(CCC(=O)[O-])C2=O)n1 ZINC001605941710 1018679251 /nfs/dbraw/zinc/67/92/51/1018679251.db2.gz XKGLEFCOPKFDFD-ZDUSSCGKSA-N -1 0 323.309 -0.344 20 0 DBADRM CCn1ncc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001605941548 1018679314 /nfs/dbraw/zinc/67/93/14/1018679314.db2.gz RDYPZELVGDJJSI-QMMMGPOBSA-N -1 0 305.298 -0.325 20 0 DBADRM CCn1nc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])cc1C1CC1 ZINC001605940419 1018679329 /nfs/dbraw/zinc/67/93/29/1018679329.db2.gz GXLQCXIDUPJQMA-VIFPVBQESA-N -1 0 324.337 -0.329 20 0 DBADRM CCn1nccc1CNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001605945191 1018679919 /nfs/dbraw/zinc/67/99/19/1018679919.db2.gz CTQYHSTZBJVLRW-LLVKDONJSA-N -1 0 324.337 -0.779 20 0 DBADRM CCn1nncc1CN1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001605947074 1018680405 /nfs/dbraw/zinc/68/04/05/1018680405.db2.gz SMYCTJUESIMKOB-NWDGAFQWSA-N -1 0 307.354 -0.339 20 0 DBADRM CCn1nccc1S(=O)(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001605946003 1018680448 /nfs/dbraw/zinc/68/04/48/1018680448.db2.gz PANCFRVHPHMRLR-SNVBAGLBSA-N -1 0 316.383 -0.460 20 0 DBADRM CCn1nncc1CNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001605947190 1018680653 /nfs/dbraw/zinc/68/06/53/1018680653.db2.gz ZABRQVVUHXJAOX-CYBMUJFWSA-N -1 0 322.325 -0.187 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)Cc2ncc[nH]2)C1 ZINC001605956007 1018681383 /nfs/dbraw/zinc/68/13/83/1018681383.db2.gz DPNUDRJZWQWVNZ-NXEZZACHSA-N -1 0 306.322 -0.658 20 0 DBADRM CN(C(=O)C(=O)NCc1ccccc1CC(=O)[O-])C1CC(O)C1 ZINC001605951450 1018681494 /nfs/dbraw/zinc/68/14/94/1018681494.db2.gz VYLPKYABTKGOQQ-UHFFFAOYSA-N -1 0 320.345 -0.088 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001605955653 1018682020 /nfs/dbraw/zinc/68/20/20/1018682020.db2.gz BHSXEDWPXDZDLD-RKDXNWHRSA-N -1 0 322.321 -0.871 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@H](CCCO)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605952570 1018682491 /nfs/dbraw/zinc/68/24/91/1018682491.db2.gz YLQWXELTABDALW-SDDRHHMPSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CCN(Cc2nnn(C)n2)CC1 ZINC001605955758 1018682836 /nfs/dbraw/zinc/68/28/36/1018682836.db2.gz CHYCMMOZIJVSRB-WDEREUQCSA-N -1 0 322.369 -0.646 20 0 DBADRM CN(C(=O)CC(N)=O)[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001605956968 1018683004 /nfs/dbraw/zinc/68/30/04/1018683004.db2.gz DJGXASCBMXNLEL-MRVPVSSYSA-N -1 0 307.310 -0.913 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@@H]2CN(c3ccccc3)C2=O)C1 ZINC001605966941 1018684294 /nfs/dbraw/zinc/68/42/94/1018684294.db2.gz FBXQUTGRJNECHA-MNOVXSKESA-N -1 0 303.274 -0.253 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@@H]2Cc3cccnc3NC2=O)C1 ZINC001605968229 1018684472 /nfs/dbraw/zinc/68/44/72/1018684472.db2.gz UFYOUZJAYBXVSA-VXNVDRBHSA-N -1 0 304.262 -0.710 20 0 DBADRM CN(C(=O)CN1CCOCC1=O)c1ccc(OCC(=O)[O-])cc1 ZINC001605962459 1018684837 /nfs/dbraw/zinc/68/48/37/1018684837.db2.gz XLQGANKYIKYFPR-UHFFFAOYSA-N -1 0 322.317 -0.028 20 0 DBADRM CN(C(=O)CCn1cccn1)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605960752 1018685285 /nfs/dbraw/zinc/68/52/85/1018685285.db2.gz HJGHNSATOVOUTA-RYUDHWBXSA-N -1 0 320.349 -0.337 20 0 DBADRM CN(C(=O)CCS(C)(=O)=O)[C@H](COC1CCC1)C(=O)[O-] ZINC001605962096 1018685652 /nfs/dbraw/zinc/68/56/52/1018685652.db2.gz WJASFJHLHMLCMF-SNVBAGLBSA-N -1 0 307.368 -0.098 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@H]([C@@H](O)C(F)(F)F)C2)C1 ZINC001605964349 1018686277 /nfs/dbraw/zinc/68/62/77/1018686277.db2.gz ZYCNRVDDFHIPOP-APQOSEDMSA-N -1 0 310.228 -0.012 20 0 DBADRM CN(C(C)(C)C(N)=O)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001605992797 1018686885 /nfs/dbraw/zinc/68/68/85/1018686885.db2.gz NDGFWZAGJZQKQU-UHFFFAOYSA-N -1 0 307.353 -0.274 20 0 DBADRM CN(C)C(=O)[C@](C)(NC(=O)COCC(=O)[O-])C(F)(F)F ZINC001605991129 1018687405 /nfs/dbraw/zinc/68/74/05/1018687405.db2.gz IMBSLZYPASXNFQ-VIFPVBQESA-N -1 0 300.233 -0.387 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)OC3COC3)CC2)C1 ZINC001605974625 1018688056 /nfs/dbraw/zinc/68/80/56/1018688056.db2.gz UCHFBLVVEJKZBN-VIFPVBQESA-N -1 0 312.322 -0.081 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)C1(n3cnnn3)CC1)O2 ZINC001605988304 1018688141 /nfs/dbraw/zinc/68/81/41/1018688141.db2.gz XLDXGODBBGNHEP-RUETXSTFSA-N -1 0 321.337 -0.309 20 0 DBADRM Cc1cnc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)s1 ZINC001605979092 1018688781 /nfs/dbraw/zinc/68/87/81/1018688781.db2.gz IGVYVLTVYNVTEX-UHFFFAOYSA-N -1 0 305.327 -0.460 20 0 DBADRM CN(C(=O)c1cnon1)C1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001605988594 1018688818 /nfs/dbraw/zinc/68/88/18/1018688818.db2.gz JWDZQFOZCJXPFP-VHSXEESVSA-N -1 0 322.321 -0.147 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001605974145 1018688866 /nfs/dbraw/zinc/68/88/66/1018688866.db2.gz LMAMWKOJTQZMTF-JTQLQIEISA-N -1 0 320.349 -0.124 20 0 DBADRM CN(C(=O)c1ccnnc1)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605985370 1018688898 /nfs/dbraw/zinc/68/88/98/1018688898.db2.gz JEBSSXDIQHKGNH-MNOVXSKESA-N -1 0 304.306 -0.520 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]c1n[nH]c(C)c1-c1nn[nH]n1 ZINC001605989940 1018688999 /nfs/dbraw/zinc/68/89/99/1018688999.db2.gz SGTMMZVOVNWKMO-UHFFFAOYSA-N -1 0 323.342 -0.259 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001605993623 1018690466 /nfs/dbraw/zinc/69/04/66/1018690466.db2.gz GUDUJBCEMGMARL-SNVBAGLBSA-N -1 0 318.395 -0.019 20 0 DBADRM CN(C)C(=O)[C@H]1CSCN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001605995203 1018690494 /nfs/dbraw/zinc/69/04/94/1018690494.db2.gz UYRJJFQFERWLRW-SECBINFHSA-N -1 0 312.351 -0.429 20 0 DBADRM CN(CC(=O)N[C@@H](C(=O)[O-])c1cccnc1)S(C)(=O)=O ZINC001606079020 1018711757 /nfs/dbraw/zinc/71/17/57/1018711757.db2.gz CEGWACNVUKDYOZ-SNVBAGLBSA-N -1 0 301.324 -0.785 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)n1 ZINC001606000449 1018690591 /nfs/dbraw/zinc/69/05/91/1018690591.db2.gz RTAWOQMRENPWQA-BDAKNGLRSA-N -1 0 310.310 -0.458 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](O)C(F)(F)C2)C1 ZINC001606000338 1018690636 /nfs/dbraw/zinc/69/06/36/1018690636.db2.gz ZHPVRCMIOVIMMW-HTQZYQBOSA-N -1 0 306.265 -0.852 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)CC1 ZINC001605997995 1018690914 /nfs/dbraw/zinc/69/09/14/1018690914.db2.gz IXYRSSPBDBQNHE-VIFPVBQESA-N -1 0 320.292 -0.462 20 0 DBADRM CN(C)C(=O)CCN1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC001605993793 1018691081 /nfs/dbraw/zinc/69/10/81/1018691081.db2.gz OKUUOESPDKPPMT-UHFFFAOYSA-N -1 0 323.393 -0.136 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(C(F)F)C2)C1 ZINC001605999984 1018691410 /nfs/dbraw/zinc/69/14/10/1018691410.db2.gz JVVSPSNLMKQWGK-MADCSZMMSA-N -1 0 306.265 -0.852 20 0 DBADRM O=C([O-])[C@H]1CCCN1Cc1cn(C[C@H](O)Cn2cccn2)nn1 ZINC001605999681 1018691450 /nfs/dbraw/zinc/69/14/50/1018691450.db2.gz WZLGKYBLQXKHSM-CHWSQXEVSA-N -1 0 320.353 -0.415 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)c2cc(C(=O)[O-])co2)n1 ZINC001606004433 1018693019 /nfs/dbraw/zinc/69/30/19/1018693019.db2.gz PMWMEPPKIRNFPE-UHFFFAOYSA-N -1 0 307.266 -0.090 20 0 DBADRM CN(C)[C@@]1(C(=O)N[C@H](CO)C(=O)[O-])COc2ccccc2C1 ZINC001606011462 1018693241 /nfs/dbraw/zinc/69/32/41/1018693241.db2.gz NCBOHZYAWPCDAX-IAQYHMDHSA-N -1 0 308.334 -0.516 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)c2cnc(C(=O)[O-])cn2)cn1 ZINC001606000504 1018694559 /nfs/dbraw/zinc/69/45/59/1018694559.db2.gz VBQSHXKXUGXGMG-UHFFFAOYSA-N -1 0 318.293 -0.288 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NOCCCC(=O)[O-])c1 ZINC001606038620 1018703310 /nfs/dbraw/zinc/70/33/10/1018703310.db2.gz HAYDYHABLQLUPZ-UHFFFAOYSA-N -1 0 319.339 -0.209 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2CCc2cccnc2)CCO1 ZINC001606048756 1018705518 /nfs/dbraw/zinc/70/55/18/1018705518.db2.gz OKWNBAKTRJKGRF-LLVKDONJSA-N -1 0 304.310 -0.399 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)CN[C@@H](C(=O)[O-])C1CCOCC1 ZINC001606045164 1018705606 /nfs/dbraw/zinc/70/56/06/1018705606.db2.gz HSSGIXDNPQZUON-FIKIJFGZSA-N -1 0 321.399 -0.443 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](CF)C(=O)[O-])n(C)c1 ZINC001606039393 1018706233 /nfs/dbraw/zinc/70/62/33/1018706233.db2.gz XOHXXZAQCQKGJG-QMMMGPOBSA-N -1 0 321.330 -0.572 20 0 DBADRM CN(C)c1cc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)ncn1 ZINC001606049659 1018706556 /nfs/dbraw/zinc/70/65/56/1018706556.db2.gz CSNTVOCCXIFVAL-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1ccnc(N2CCOCC2)n1 ZINC001606048136 1018706591 /nfs/dbraw/zinc/70/65/91/1018706591.db2.gz PLNSOFLRMDERBM-LLVKDONJSA-N -1 0 322.321 -0.761 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)CN[C@H](C(=O)[O-])C1CCOCC1 ZINC001606045165 1018706957 /nfs/dbraw/zinc/70/69/57/1018706957.db2.gz HSSGIXDNPQZUON-MQJDWESPSA-N -1 0 321.399 -0.443 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CC[S@@](=O)C(F)(F)F ZINC001606056832 1018707316 /nfs/dbraw/zinc/70/73/16/1018707316.db2.gz AVEWGMWJLNTOQW-FWCARGHBSA-N -1 0 323.314 -0.562 20 0 DBADRM CN(C)c1cnc(C(=O)OCCn2cc(C(=O)[O-])nn2)cn1 ZINC001606066084 1018709730 /nfs/dbraw/zinc/70/97/30/1018709730.db2.gz WZHLRKVZNMMFLB-UHFFFAOYSA-N -1 0 306.282 -0.311 20 0 DBADRM O=C([O-])CC1(NC(=O)CC[C@H]2NC(=O)NC2=O)CCOCC1 ZINC001606078042 1018710659 /nfs/dbraw/zinc/71/06/59/1018710659.db2.gz XPPFDESJVXRXSG-MRVPVSSYSA-N -1 0 313.310 -0.885 20 0 DBADRM CN(C)c1nccc(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)n1 ZINC001606069052 1018710768 /nfs/dbraw/zinc/71/07/68/1018710768.db2.gz RNOYNJYBMKDEJX-CZMCAQCFSA-N -1 0 321.337 -0.862 20 0 DBADRM O=C([O-])CC1(C(=O)N2CC[C@H](O)[C@@H](CO)C2)CCOCC1 ZINC001606070573 1018710957 /nfs/dbraw/zinc/71/09/57/1018710957.db2.gz JNHVPUJWFUJIGV-MNOVXSKESA-N -1 0 301.339 -0.540 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001606075421 1018711385 /nfs/dbraw/zinc/71/13/85/1018711385.db2.gz ALMVRKMWEQBLHD-UHFFFAOYSA-N -1 0 321.333 -0.361 20 0 DBADRM CN(C)c1ncc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])cn1 ZINC001606068773 1018711588 /nfs/dbraw/zinc/71/15/88/1018711588.db2.gz ZORVYGYOIFIFRR-UHFFFAOYSA-N -1 0 309.326 -0.292 20 0 DBADRM Cc1nc([N-]S(C)(=O)=O)n(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC001606076874 1018711715 /nfs/dbraw/zinc/71/17/15/1018711715.db2.gz RVYVPALECMBORE-UHFFFAOYSA-N -1 0 320.338 -0.451 20 0 DBADRM CN(CC(=O)N[C@H](C(=O)[O-])c1cccnc1)S(C)(=O)=O ZINC001606079018 1018712009 /nfs/dbraw/zinc/71/20/09/1018712009.db2.gz CEGWACNVUKDYOZ-JTQLQIEISA-N -1 0 301.324 -0.785 20 0 DBADRM CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001606072077 1018712304 /nfs/dbraw/zinc/71/23/04/1018712304.db2.gz HDDHPTZTQUZTQM-UHFFFAOYSA-N -1 0 316.339 -0.474 20 0 DBADRM CN(CC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001606075462 1018712837 /nfs/dbraw/zinc/71/28/37/1018712837.db2.gz BYJJRJBFPYEWSU-GUBZILKMSA-N -1 0 322.358 -0.871 20 0 DBADRM CN(CC(=O)NC1(CC(=O)[O-])CC1)[C@H]1CCS(=O)(=O)C1 ZINC001606080753 1018713379 /nfs/dbraw/zinc/71/33/79/1018713379.db2.gz OEFSWOFTEVVZJN-VIFPVBQESA-N -1 0 304.368 -0.771 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)NCC2(C(=O)[O-])CCCC2)n1 ZINC001606081290 1018714138 /nfs/dbraw/zinc/71/41/38/1018714138.db2.gz UYOSVKSHUSVMSF-UHFFFAOYSA-N -1 0 308.342 -0.105 20 0 DBADRM CN(CC(C)(C)O)C(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001606090626 1018714682 /nfs/dbraw/zinc/71/46/82/1018714682.db2.gz PGHQBYHSIYOAJH-ZJUUUORDSA-N -1 0 300.355 -0.025 20 0 DBADRM O=C([O-])CC1(NC(=O)c2nc3ncccn3n2)CCOCC1 ZINC001606083419 1018715114 /nfs/dbraw/zinc/71/51/14/1018715114.db2.gz AKVUMYCNPLXOBA-UHFFFAOYSA-N -1 0 305.294 -0.122 20 0 DBADRM CN(C[C@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)C(C)(C)F ZINC001606095578 1018716635 /nfs/dbraw/zinc/71/66/35/1018716635.db2.gz MWHHINAXISFELU-MRVPVSSYSA-N -1 0 314.317 -0.424 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606093970 1018717225 /nfs/dbraw/zinc/71/72/25/1018717225.db2.gz NWNHJSUIHASPRY-SNVBAGLBSA-N -1 0 307.306 -0.052 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N(C2CC2)C2(C(=O)[O-])CCC2)C1=O ZINC001606187655 1018717649 /nfs/dbraw/zinc/71/76/49/1018717649.db2.gz SFBTXRRGUORXOA-UHFFFAOYSA-N -1 0 323.305 -0.595 20 0 DBADRM CN(C[C@H]1CCCC[C@H]1O)C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001606101562 1018717644 /nfs/dbraw/zinc/71/76/44/1018717644.db2.gz YZBPQDAXZMENKM-KXUCPTDWSA-N -1 0 304.318 -0.465 20 0 DBADRM CN(C[C@H]1CCCC[C@H]1O)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001606101043 1018718177 /nfs/dbraw/zinc/71/81/77/1018718177.db2.gz PHRPDTFRKMHIMU-DDHJBXDOSA-N -1 0 312.366 -0.025 20 0 DBADRM CN(C[C@H]1CCCC[C@@H]1O)C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001606101564 1018719508 /nfs/dbraw/zinc/71/95/08/1018719508.db2.gz YZBPQDAXZMENKM-UTLUCORTSA-N -1 0 304.318 -0.465 20 0 DBADRM CN(C[C@@H](O)CN1CCOC[C@@H]1C(=O)[O-])C(=O)OC(C)(C)C ZINC001606094755 1018719689 /nfs/dbraw/zinc/71/96/89/1018719689.db2.gz DCPQBXFWMGVKCF-GHMZBOCLSA-N -1 0 318.370 0.000 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NCC(=O)NCC(F)F)CO1 ZINC001606108389 1018720563 /nfs/dbraw/zinc/72/05/63/1018720563.db2.gz UCSJITJONJYFIP-HTQZYQBOSA-N -1 0 308.281 -0.246 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001606106143 1018720584 /nfs/dbraw/zinc/72/05/84/1018720584.db2.gz YOGHOBLSMOYDAN-CMPLNLGQSA-N -1 0 306.384 -0.268 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001606185416 1018720535 /nfs/dbraw/zinc/72/05/35/1018720535.db2.gz SKTYPPWPKUATOV-JTQLQIEISA-N -1 0 312.322 -0.526 20 0 DBADRM CN1CC(=O)N(CCCC(=O)NOCCCC(=O)[O-])C1=O ZINC001606196111 1018721975 /nfs/dbraw/zinc/72/19/75/1018721975.db2.gz BTSOFFFNALBXOG-UHFFFAOYSA-N -1 0 301.299 -0.427 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1cnc(Cl)cn1 ZINC001606110482 1018722118 /nfs/dbraw/zinc/72/21/18/1018722118.db2.gz NBRUSMDNYJDRRP-UHFFFAOYSA-N -1 0 308.747 -0.129 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC001606190220 1018722593 /nfs/dbraw/zinc/72/25/93/1018722593.db2.gz CCYLOPDHILFNNH-SNVBAGLBSA-N -1 0 311.338 -0.809 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC001606190219 1018723835 /nfs/dbraw/zinc/72/38/35/1018723835.db2.gz CCYLOPDHILFNNH-JTQLQIEISA-N -1 0 311.338 -0.809 20 0 DBADRM CN1C(=O)CN(CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001606189445 1018724027 /nfs/dbraw/zinc/72/40/27/1018724027.db2.gz LKOLMXGIVBAHDH-MRVPVSSYSA-N -1 0 308.298 -0.925 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cccc3ncnn32)CC1=O ZINC001606200349 1018725842 /nfs/dbraw/zinc/72/58/42/1018725842.db2.gz RHYBBPCUHRZOTK-SECBINFHSA-N -1 0 303.278 -0.903 20 0 DBADRM CN1C[C@@H](C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)NC1=O ZINC001606198607 1018725970 /nfs/dbraw/zinc/72/59/70/1018725970.db2.gz XREYWHOJRYXQFL-IUCAKERBSA-N -1 0 322.325 -0.837 20 0 DBADRM Cn1ncc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1Cl ZINC001606199700 1018726216 /nfs/dbraw/zinc/72/62/16/1018726216.db2.gz IDRYGPCRUAJUFF-SSDOTTSWSA-N -1 0 300.702 -0.559 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cccc3c2OCC3)CC1=O ZINC001606200671 1018726556 /nfs/dbraw/zinc/72/65/56/1018726556.db2.gz ZSIFUVKCCDRQMG-LLVKDONJSA-N -1 0 304.302 -0.011 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cnc3cc[nH]c3c2)CC1=O ZINC001606200530 1018726674 /nfs/dbraw/zinc/72/66/74/1018726674.db2.gz WLJHRYXDYIWEFD-NSHDSACASA-N -1 0 302.290 -0.070 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cnc3cccnn23)CC1=O ZINC001606200424 1018726835 /nfs/dbraw/zinc/72/68/35/1018726835.db2.gz SXZJAIFOEITVRS-VIFPVBQESA-N -1 0 303.278 -0.903 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)CCOC2CCOCC2)CC1=O ZINC001606199485 1018727436 /nfs/dbraw/zinc/72/74/36/1018727436.db2.gz GECNEDILDRJSNV-LLVKDONJSA-N -1 0 314.338 -0.674 20 0 DBADRM CN1C[C@H](C(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)NC1=O ZINC001606198373 1018727480 /nfs/dbraw/zinc/72/74/80/1018727480.db2.gz UQGAQFHNHNAGCS-YGRLFVJLSA-N -1 0 306.322 -0.089 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cc3cccn3cn2)CC1=O ZINC001606199283 1018727580 /nfs/dbraw/zinc/72/75/80/1018727580.db2.gz DANVXCFLLRIEBO-LLVKDONJSA-N -1 0 302.290 -0.298 20 0 DBADRM CN(CCC(N)=O)S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001606111253 1018728439 /nfs/dbraw/zinc/72/84/39/1018728439.db2.gz OQPFTUYHJSSYSZ-UHFFFAOYSA-N -1 0 321.742 -0.071 20 0 DBADRM CN([C@H]1CCC(=O)N(C)C1)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606202987 1018728304 /nfs/dbraw/zinc/72/83/04/1018728304.db2.gz NRDBIIZAXAWJAQ-LPEHRKFASA-N -1 0 304.368 -0.268 20 0 DBADRM CN(CCN(C)c1ncc(C(=O)[O-])cn1)C(=O)[C@@H]1COCCO1 ZINC001606127037 1018729735 /nfs/dbraw/zinc/72/97/35/1018729735.db2.gz RFCWYZVZJDZQBY-NSHDSACASA-N -1 0 324.337 -0.515 20 0 DBADRM CN(CCNC(=O)CO[C@H]1CCOC1)c1ccnc(C(=O)[O-])n1 ZINC001606129506 1018730291 /nfs/dbraw/zinc/73/02/91/1018730291.db2.gz LBCANIFDIWHCRT-JTQLQIEISA-N -1 0 324.337 -0.467 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C[C@H](O)CC2(O)CCCC2)CC1=O ZINC001606201655 1018730446 /nfs/dbraw/zinc/73/04/46/1018730446.db2.gz DCITWAJPEXHBCS-MNOVXSKESA-N -1 0 300.355 -0.730 20 0 DBADRM CN(CCN(C)c1ncc(C(=O)[O-])cn1)C(=O)Cc1nnc[nH]1 ZINC001606127105 1018730434 /nfs/dbraw/zinc/73/04/34/1018730434.db2.gz UWNOENIJVLFYSJ-UHFFFAOYSA-N -1 0 319.325 -0.570 20 0 DBADRM CN(CCNC(=O)Cc1cncn1C)c1ncc(C(=O)[O-])cn1 ZINC001606129255 1018730602 /nfs/dbraw/zinc/73/06/02/1018730602.db2.gz BOJQGKGJPGWFNE-UHFFFAOYSA-N -1 0 318.337 -0.297 20 0 DBADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C(=O)NCCn2cncn2)C1 ZINC001606123016 1018731165 /nfs/dbraw/zinc/73/11/65/1018731165.db2.gz MATZKZTWYGGKQI-NSHDSACASA-N -1 0 323.353 -0.502 20 0 DBADRM CN(CCCNC(=O)c1cnn(C)n1)c1ccnc(C(=O)[O-])n1 ZINC001606122210 1018731658 /nfs/dbraw/zinc/73/16/58/1018731658.db2.gz MIDKFEDJCOBWPT-UHFFFAOYSA-N -1 0 319.325 -0.440 20 0 DBADRM Cn1c(=O)[nH]c(N2CC(C)(C)[C@H]2C2CC2)c(-c2nnn[n-]2)c1=O ZINC001606202940 1018732006 /nfs/dbraw/zinc/73/20/06/1018732006.db2.gz TWXRTOMIQYHEBZ-SECBINFHSA-N -1 0 317.353 -0.122 20 0 DBADRM O=C([O-])CCC1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC001606126294 1018732056 /nfs/dbraw/zinc/73/20/56/1018732056.db2.gz ZICBEMGOOZXXML-YRGRVCCFSA-N -1 0 313.350 -0.497 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)N2CCC(CC(=O)[O-])CC2)CC1=O ZINC001606202996 1018732324 /nfs/dbraw/zinc/73/23/24/1018732324.db2.gz OBJAHINWSNIGFY-JTQLQIEISA-N -1 0 311.338 -0.953 20 0 DBADRM CN(CCCNC(=O)[C@H]1CCNC1=O)c1ncc(C(=O)[O-])cn1 ZINC001606122004 1018732906 /nfs/dbraw/zinc/73/29/06/1018732906.db2.gz DEBCSDWMFSAQEU-SNVBAGLBSA-N -1 0 321.337 -0.747 20 0 DBADRM Cc1noc([C@H](C)NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC001606127620 1018733247 /nfs/dbraw/zinc/73/32/47/1018733247.db2.gz AIAYZLPNRQOWGW-YFKPBYRVSA-N -1 0 304.274 -0.973 20 0 DBADRM CN(CCNC(=O)Cn1ccnc1)c1ccnc(C(=O)[O-])n1 ZINC001606129589 1018733383 /nfs/dbraw/zinc/73/33/83/1018733383.db2.gz OHJNQLWNTXFVRT-UHFFFAOYSA-N -1 0 304.310 -0.376 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)C[C@@H]1CCOC1 ZINC001606133673 1018735287 /nfs/dbraw/zinc/73/52/87/1018735287.db2.gz YRZKWAWXMUWQOK-JTQLQIEISA-N -1 0 308.338 -0.106 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001606138775 1018735433 /nfs/dbraw/zinc/73/54/33/1018735433.db2.gz CYMJPKYQVZSYPI-UHFFFAOYSA-N -1 0 304.299 -0.116 20 0 DBADRM CN1CC[C@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CC1=O ZINC001606208967 1018735681 /nfs/dbraw/zinc/73/56/81/1018735681.db2.gz OOCNVOUOMGAZHX-QMMMGPOBSA-N -1 0 307.310 -0.772 20 0 DBADRM CN(CCO)CCNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001606134172 1018735897 /nfs/dbraw/zinc/73/58/97/1018735897.db2.gz OHQYQMDGUDGYAK-GHMZBOCLSA-N -1 0 308.400 -0.527 20 0 DBADRM Cn1c(C(=O)NCCc2n[n-]c(=S)o2)ccc1-c1nn[nH]n1 ZINC001606210942 1018736746 /nfs/dbraw/zinc/73/67/46/1018736746.db2.gz DNOGONAEIBYYPB-UHFFFAOYSA-N -1 0 320.338 -0.151 20 0 DBADRM CN(CCO)CCNS(=O)(=O)c1ccsc1C(=O)[O-] ZINC001606134228 1018737240 /nfs/dbraw/zinc/73/72/40/1018737240.db2.gz QYARKRRJBFWMJT-UHFFFAOYSA-N -1 0 308.381 -0.351 20 0 DBADRM CN(CCS(C)(=O)=O)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001606138891 1018739501 /nfs/dbraw/zinc/73/95/01/1018739501.db2.gz MNOWJBWXOXEPDG-UHFFFAOYSA-N -1 0 322.364 -0.555 20 0 DBADRM O=C([O-])CCCCN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O ZINC001606159929 1018741575 /nfs/dbraw/zinc/74/15/75/1018741575.db2.gz AFQUGANMXMCTAA-UHFFFAOYSA-N -1 0 318.351 -0.260 20 0 DBADRM CN1CC[C@@](C)(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])C1=O ZINC001606214541 1018741278 /nfs/dbraw/zinc/74/12/78/1018741278.db2.gz YQKNVYQTKLHYJL-XPTSAGLGSA-N -1 0 314.338 -0.423 20 0 DBADRM CN1CC[C@H](CNC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1=O ZINC001606212776 1018741489 /nfs/dbraw/zinc/74/14/89/1018741489.db2.gz TZNDMYSZHNTIRV-JTQLQIEISA-N -1 0 321.333 -0.469 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001606159932 1018741944 /nfs/dbraw/zinc/74/19/44/1018741944.db2.gz APUBXLRVNIDGNE-AWEZNQCLSA-N -1 0 311.338 -0.904 20 0 DBADRM O=C([O-])CCCCNC(=O)NC[C@]1(OCCO)CCOC1 ZINC001606164491 1018742873 /nfs/dbraw/zinc/74/28/73/1018742873.db2.gz BEAGIJOCJFOTSF-CYBMUJFWSA-N -1 0 304.343 -0.292 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)C1=O ZINC001606212702 1018742925 /nfs/dbraw/zinc/74/29/25/1018742925.db2.gz QFILOBSYMJTCCI-YJVGMPMCSA-N -1 0 310.350 -0.007 20 0 DBADRM CN1CC[C@H](C(=O)OCCCc2cn(CC(=O)[O-])nn2)CC1=O ZINC001606213167 1018743580 /nfs/dbraw/zinc/74/35/80/1018743580.db2.gz YTGLFVRDVAZXNU-JTQLQIEISA-N -1 0 324.337 -0.293 20 0 DBADRM CN(CCn1cccn1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001606141726 1018744359 /nfs/dbraw/zinc/74/43/59/1018744359.db2.gz RXFVDLYFMDIYPI-UHFFFAOYSA-N -1 0 307.314 -0.486 20 0 DBADRM CN(Cc1cnn(C)n1)C1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001606174463 1018745235 /nfs/dbraw/zinc/74/52/35/1018745235.db2.gz QBIJTZCJFBOVRP-QWHCGFSZSA-N -1 0 321.381 -0.041 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN(C)C(C)(C)C(=O)[O-] ZINC001606176974 1018745810 /nfs/dbraw/zinc/74/58/10/1018745810.db2.gz DDCUMPZOLZLPJK-UHFFFAOYSA-N -1 0 304.372 -0.167 20 0 DBADRM CN(Cc1ccoc1)C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001606173036 1018745855 /nfs/dbraw/zinc/74/58/55/1018745855.db2.gz HJXNOTDWDJUFKP-LLVKDONJSA-N -1 0 310.306 -0.060 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)COC(=O)c1cc(C(=O)[O-])no1 ZINC001606174443 1018746132 /nfs/dbraw/zinc/74/61/32/1018746132.db2.gz OVJQWEHLYQRERB-UHFFFAOYSA-N -1 0 322.277 -0.078 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC(C(C)(C)C)C2)n(C)c1=O ZINC001606217678 1018747172 /nfs/dbraw/zinc/74/71/72/1018747172.db2.gz OJURVHGYFCNODA-UHFFFAOYSA-N -1 0 319.369 -0.254 20 0 DBADRM CN1CCC[C@H](NC(=O)Cn2cccc(C(=O)[O-])c2=O)C1=O ZINC001606221960 1018747698 /nfs/dbraw/zinc/74/76/98/1018747698.db2.gz VNABYXIVCYHNAX-JTQLQIEISA-N -1 0 307.306 -0.717 20 0 DBADRM Cn1cc(-c2nn[nH]n2)cc1C(=O)[N-]S(=O)(=O)C1CCC1 ZINC001606227532 1018751934 /nfs/dbraw/zinc/75/19/34/1018751934.db2.gz PGKGUDNTDMCYRO-UHFFFAOYSA-N -1 0 310.339 -0.183 20 0 DBADRM O=C([O-])CN(CC1CC1)C(=O)c1cn(C(F)(F)CO)nn1 ZINC001606226126 1018753535 /nfs/dbraw/zinc/75/35/35/1018753535.db2.gz ODGIXGASARHOFI-UHFFFAOYSA-N -1 0 304.253 -0.244 20 0 DBADRM CN1CCC[C@@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])C1=O ZINC001606223813 1018753768 /nfs/dbraw/zinc/75/37/68/1018753768.db2.gz UWHDUHYRBMADNR-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1CCC[C@H](NS(=O)(=O)c2cncc(C(=O)[O-])c2)C1=O ZINC001606227342 1018755728 /nfs/dbraw/zinc/75/57/28/1018755728.db2.gz OEXKSZNABRLIFC-JTQLQIEISA-N -1 0 313.335 -0.321 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCN(c3ncc(F)cn3)CC2)C1=O ZINC001606232417 1018756693 /nfs/dbraw/zinc/75/66/93/1018756693.db2.gz VAEQVTQUIXIEQL-NSHDSACASA-N -1 0 323.328 -0.577 20 0 DBADRM CN1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1(C)C ZINC001606229730 1018757692 /nfs/dbraw/zinc/75/76/92/1018757692.db2.gz FQZOQYBOFCUMJV-GDLVEWKHSA-N -1 0 323.393 -0.092 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CC[C@](CO)(C(F)(F)F)C2)C1=O ZINC001606231148 1018759238 /nfs/dbraw/zinc/75/92/38/1018759238.db2.gz DYWGSKMASDLLKO-KCJUWKMLSA-N -1 0 310.272 -0.081 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2C[C@@H](CO)[C@H](C(F)(F)F)C2)C1=O ZINC001606231724 1018759952 /nfs/dbraw/zinc/75/99/52/1018759952.db2.gz LVKFZJPQRQIKRC-DJLDLDEBSA-N -1 0 310.272 -0.226 20 0 DBADRM CN1CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)[C@@H](CO)C1 ZINC001606234605 1018762499 /nfs/dbraw/zinc/76/24/99/1018762499.db2.gz PLTCYUOEJOSGBJ-GRYCIOLGSA-N -1 0 300.355 -0.466 20 0 DBADRM CN1CCN(C(=O)CNC(=O)c2ccoc2CC(=O)[O-])CC1 ZINC001606233561 1018762546 /nfs/dbraw/zinc/76/25/46/1018762546.db2.gz UJCCSNVVNZCZCI-UHFFFAOYSA-N -1 0 309.322 -0.590 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCS(=O)(=O)[C@H]3CCC[C@H]32)C1=O ZINC001606232719 1018766272 /nfs/dbraw/zinc/76/62/72/1018766272.db2.gz XQMGMQIPFUUHJD-VWYCJHECSA-N -1 0 316.379 -0.677 20 0 DBADRM CN1CCN(CC(=O)NCCc2cccc(C(=O)[O-])c2)CC1=O ZINC001606239465 1018770838 /nfs/dbraw/zinc/77/08/38/1018770838.db2.gz QRWYTZNLNGOAFT-UHFFFAOYSA-N -1 0 319.361 -0.183 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC(N3CCCC3=O)C2)C1=O ZINC001606248096 1018775496 /nfs/dbraw/zinc/77/54/96/1018775496.db2.gz OMLZKAXDQMLPAX-LLVKDONJSA-N -1 0 323.349 -0.857 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)c2cn3c(n2)COCC3)C1=O ZINC001606247492 1018775854 /nfs/dbraw/zinc/77/58/54/1018775854.db2.gz HXTFHOYWZDBEMR-VIFPVBQESA-N -1 0 309.278 -0.744 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)C2(C(=O)NC3CC3)CCC2)C1=O ZINC001606247113 1018776283 /nfs/dbraw/zinc/77/62/83/1018776283.db2.gz FIBAYKSBTOZLAP-SNVBAGLBSA-N -1 0 324.333 -0.336 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@@]3(CNC(=O)C3)C2)C1=O ZINC001606248630 1018777414 /nfs/dbraw/zinc/77/74/14/1018777414.db2.gz ARLZQWUJNXVELO-ZUZCIYMTSA-N -1 0 323.349 -0.952 20 0 DBADRM CN1CCO[C@@H](C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])C1 ZINC001606249164 1018777992 /nfs/dbraw/zinc/77/79/92/1018777992.db2.gz GZNZORYDJYIFSX-CHWSQXEVSA-N -1 0 308.334 -0.035 20 0 DBADRM CN1CCO[C@@H](C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)C1 ZINC001606247372 1018778128 /nfs/dbraw/zinc/77/81/28/1018778128.db2.gz KTABCSTVMCOQDN-GFCCVEGCSA-N -1 0 323.353 -0.530 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606251196 1018778806 /nfs/dbraw/zinc/77/88/06/1018778806.db2.gz UXEVUAQHWHNZAO-VIFPVBQESA-N -1 0 322.321 -0.835 20 0 DBADRM CN1CCc2ccc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])cc21 ZINC001606251435 1018779042 /nfs/dbraw/zinc/77/90/42/1018779042.db2.gz RKNNZRHKGSRBJX-JTQLQIEISA-N -1 0 314.363 -0.207 20 0 DBADRM CN1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1=O ZINC001606252507 1018779257 /nfs/dbraw/zinc/77/92/57/1018779257.db2.gz OMVLULIHSLUUAA-UHFFFAOYSA-N -1 0 309.253 -0.280 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NC[C@H](CO)CC2CC2)C1=O ZINC001606251240 1018779633 /nfs/dbraw/zinc/77/96/33/1018779633.db2.gz NPYTZAAPQLRRKF-VXGBXAGGSA-N -1 0 312.366 -0.166 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001606250202 1018779950 /nfs/dbraw/zinc/77/99/50/1018779950.db2.gz NWJATDNLTOFJAG-GRYCIOLGSA-N -1 0 320.411 -0.120 20 0 DBADRM Cn1ccc(NC(=O)CNc2nccnc2-c2nn[nH]n2)n1 ZINC001606250770 1018780081 /nfs/dbraw/zinc/78/00/81/1018780081.db2.gz XTQDXYZTYYXOFV-UHFFFAOYSA-N -1 0 300.286 -0.559 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)Nc2nnc3n2CCCC3)C1=O ZINC001606252848 1018780399 /nfs/dbraw/zinc/78/03/99/1018780399.db2.gz BTQCXQKBVNGQTR-SECBINFHSA-N -1 0 321.337 -0.124 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@H]3COC[C@H]3C2)C1=O ZINC001606252356 1018780466 /nfs/dbraw/zinc/78/04/66/1018780466.db2.gz XNLOKZOWWXJDLB-TUAOUCFPSA-N -1 0 310.350 -0.196 20 0 DBADRM CN1CCO[C@@H](C(=O)Nc2ccc(OCC(=O)[O-])cc2)C1=O ZINC001606250715 1018781130 /nfs/dbraw/zinc/78/11/30/1018781130.db2.gz QIOHCEJHRLEQFA-LBPRGKRZSA-N -1 0 308.290 -0.054 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C1=O ZINC001606252379 1018781418 /nfs/dbraw/zinc/78/14/18/1018781418.db2.gz XVVTVBFNJOFWIO-GQFWMTIKSA-N -1 0 322.361 -0.151 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001606255244 1018782853 /nfs/dbraw/zinc/78/28/53/1018782853.db2.gz IQHWKXHETNDMKB-MIZYBKAJSA-N -1 0 311.338 -0.604 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NC[C@@H]2CCOC2)C1=O ZINC001606255371 1018783054 /nfs/dbraw/zinc/78/30/54/1018783054.db2.gz LVNDRPXBHDNTQB-QWRGUYRKSA-N -1 0 313.354 -0.212 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001606258626 1018783462 /nfs/dbraw/zinc/78/34/62/1018783462.db2.gz GFNKRFSSKMYQOE-WDSKDSINSA-N -1 0 321.259 -0.267 20 0 DBADRM O=C([O-])CN1CCCC[C@H](N2C(=O)N3CC4CC3(C4)C2=O)C1=O ZINC001606257260 1018783509 /nfs/dbraw/zinc/78/35/09/1018783509.db2.gz KCDQNOYKHIIXDR-VOZQYIJBSA-N -1 0 321.333 -0.121 20 0 DBADRM O=C([O-])CN1CCCC[C@H](OC(=O)CC2OCCO2)C1=O ZINC001606258308 1018783591 /nfs/dbraw/zinc/78/35/91/1018783591.db2.gz CKXZYJIORFNKRB-VIFPVBQESA-N -1 0 301.295 -0.242 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2 ZINC001606254903 1018783694 /nfs/dbraw/zinc/78/36/94/1018783694.db2.gz VFSPXKRCGBKEBL-VHSXEESVSA-N -1 0 319.383 -0.667 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)c2cnn(CCO)c2)C1=O ZINC001606255160 1018784699 /nfs/dbraw/zinc/78/46/99/1018784699.db2.gz GHAQPJAUKKLOHY-NSHDSACASA-N -1 0 324.337 -0.929 20 0 DBADRM CN1Cc2ccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])cc2C1 ZINC001606260202 1018785136 /nfs/dbraw/zinc/78/51/36/1018785136.db2.gz YGXJBAXBRSODOE-LBPRGKRZSA-N -1 0 321.333 -0.478 20 0 DBADRM CNC(=O)C1(NS(=O)(=O)C2(C(=O)[O-])CCC2)CCCC1 ZINC001606262677 1018785877 /nfs/dbraw/zinc/78/58/77/1018785877.db2.gz AFSUXWKVGIUQIJ-UHFFFAOYSA-N -1 0 304.368 -0.028 20 0 DBADRM CNC(=O)C1(C(=O)N[C@H](C)CNc2ncc(C(=O)[O-])cn2)CC1 ZINC001606261839 1018786196 /nfs/dbraw/zinc/78/61/96/1018786196.db2.gz XNUWZDGAOZTIIJ-MRVPVSSYSA-N -1 0 321.337 -0.382 20 0 DBADRM CNC(=O)C1(NC(=O)c2ccnc(C(=O)[O-])c2)CCOCC1 ZINC001606263066 1018786364 /nfs/dbraw/zinc/78/63/64/1018786364.db2.gz FEOLBIYWAIFZBZ-UHFFFAOYSA-N -1 0 307.306 -0.195 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001606261568 1018787814 /nfs/dbraw/zinc/78/78/14/1018787814.db2.gz CEPDYYJOEAJVKX-BDAKNGLRSA-N -1 0 315.351 -0.094 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CN1CCc2ccccc2C1=O ZINC001606265259 1018791086 /nfs/dbraw/zinc/79/10/86/1018791086.db2.gz QLYJSVZEBIARAQ-UHFFFAOYSA-N -1 0 320.301 -0.571 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001606272855 1018795577 /nfs/dbraw/zinc/79/55/77/1018795577.db2.gz FYDKTKYOLQXIQC-UHFFFAOYSA-N -1 0 311.269 -0.367 20 0 DBADRM CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)NCCO ZINC001606274183 1018795633 /nfs/dbraw/zinc/79/56/33/1018795633.db2.gz UKHLPPCWBONDKM-UHFFFAOYSA-N -1 0 311.294 -0.377 20 0 DBADRM O=C([O-])COCC(=O)N1CC[C@H](OCCN2CCOCC2)C1 ZINC001606274086 1018795726 /nfs/dbraw/zinc/79/57/26/1018795726.db2.gz YIKPRPPTGXYNES-LBPRGKRZSA-N -1 0 316.354 -0.963 20 0 DBADRM O=C([O-])COCC(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC001606273078 1018795768 /nfs/dbraw/zinc/79/57/68/1018795768.db2.gz RRDCJUMOKCWXEM-LBPRGKRZSA-N -1 0 321.333 -0.210 20 0 DBADRM O=C([O-])COCC(=O)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC001606274085 1018796882 /nfs/dbraw/zinc/79/68/82/1018796882.db2.gz YIKPRPPTGXYNES-GFCCVEGCSA-N -1 0 316.354 -0.963 20 0 DBADRM CNC(=O)CN1CCCN(c2ncnc(C(=O)[O-])c2OC)CC1 ZINC001606271162 1018797425 /nfs/dbraw/zinc/79/74/25/1018797425.db2.gz QUHZBEQOLWSFMU-UHFFFAOYSA-N -1 0 323.353 -0.559 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC001606273929 1018798642 /nfs/dbraw/zinc/79/86/42/1018798642.db2.gz VOYIJEGIOZSLSQ-UHFFFAOYSA-N -1 0 313.697 -0.161 20 0 DBADRM CNC(=O)COc1cccc(CC(=O)N[C@@H](CF)C(=O)[O-])c1 ZINC001606275829 1018800047 /nfs/dbraw/zinc/80/00/47/1018800047.db2.gz ZODNAPMUJFQAMF-NSHDSACASA-N -1 0 312.297 -0.107 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)NCc1ccc(F)c(F)c1 ZINC001606279419 1018800657 /nfs/dbraw/zinc/80/06/57/1018800657.db2.gz MSGNAGCCNIENND-UHFFFAOYSA-N -1 0 316.260 -0.202 20 0 DBADRM CNC(=O)N[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001606278275 1018800759 /nfs/dbraw/zinc/80/07/59/1018800759.db2.gz QNDYWBXHTOGVNP-JTQLQIEISA-N -1 0 309.326 -0.499 20 0 DBADRM CNC(=O)N[C@@H]1CCN(S(=O)(=O)CCCCCC(=O)[O-])C1 ZINC001606282439 1018801461 /nfs/dbraw/zinc/80/14/61/1018801461.db2.gz ZMWSLCNOFOAHQE-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM CNC(=O)NCC(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC001606281576 1018801618 /nfs/dbraw/zinc/80/16/18/1018801618.db2.gz SBYLNTCCAXMNIT-SNVBAGLBSA-N -1 0 313.285 -0.297 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CCO1 ZINC001606282437 1018801864 /nfs/dbraw/zinc/80/18/64/1018801864.db2.gz ZMWNEWLBDCXOBK-VWYCJHECSA-N -1 0 313.354 -0.356 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CCO1 ZINC001606281523 1018801924 /nfs/dbraw/zinc/80/19/24/1018801924.db2.gz RFSXOKRPKZLOAZ-OPRDCNLKSA-N -1 0 314.342 -0.954 20 0 DBADRM CNC(=O)NCC(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001606281037 1018802081 /nfs/dbraw/zinc/80/20/81/1018802081.db2.gz MTKRYWMREFOTHE-SECBINFHSA-N -1 0 322.325 -0.883 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NC[C@@]1(O)CCSC1 ZINC001606284903 1018803148 /nfs/dbraw/zinc/80/31/48/1018803148.db2.gz QMXZMZHBVJEQKG-LBPRGKRZSA-N -1 0 322.383 -0.729 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCC[C@H](CO)CC1 ZINC001606284449 1018803419 /nfs/dbraw/zinc/80/34/19/1018803419.db2.gz CVCVDSHZWKRCOR-LBPRGKRZSA-N -1 0 318.370 -0.092 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1cnn2ccncc12 ZINC001606285942 1018803445 /nfs/dbraw/zinc/80/34/45/1018803445.db2.gz MPYWRSAEAGUKMV-UHFFFAOYSA-N -1 0 308.294 -0.423 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])n1 ZINC001606288349 1018803594 /nfs/dbraw/zinc/80/35/94/1018803594.db2.gz ZFYVWVQOFLTBRZ-SNVBAGLBSA-N -1 0 323.305 -0.613 20 0 DBADRM CNC(=O)c1ccc(CN2CC(=O)N(C)C[C@@H]2C(=O)[O-])cc1 ZINC001606285773 1018804285 /nfs/dbraw/zinc/80/42/85/1018804285.db2.gz WQNNSCGILNMEJI-GFCCVEGCSA-N -1 0 305.334 -0.227 20 0 DBADRM CNC(=O)c1cccc(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])n1 ZINC001606287679 1018804306 /nfs/dbraw/zinc/80/43/06/1018804306.db2.gz HYYBBQVHHZUYSR-LDYMZIIASA-N -1 0 307.306 -0.339 20 0 DBADRM O=C([O-])CS(=O)(=O)CCNCc1cc2n(n1)CCCC2 ZINC001606296881 1018804588 /nfs/dbraw/zinc/80/45/88/1018804588.db2.gz OMPKWBIUSYYGDR-UHFFFAOYSA-N -1 0 301.368 -0.192 20 0 DBADRM O=C([O-])CS(=O)(=O)CCn1nc(C(F)(F)F)ccc1=O ZINC001606296366 1018805104 /nfs/dbraw/zinc/80/51/04/1018805104.db2.gz CTRDXTNSTFTXAS-UHFFFAOYSA-N -1 0 314.241 -0.239 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC001606292309 1018805480 /nfs/dbraw/zinc/80/54/80/1018805480.db2.gz HJHUVVSKZAZWSI-GFCCVEGCSA-N -1 0 310.314 -0.071 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)N2CC[C@](O)(C(=O)[O-])C2)c1 ZINC001606292174 1018805620 /nfs/dbraw/zinc/80/56/20/1018805620.db2.gz GAGMWCHVPDTTTI-MPNWYJEXSA-N -1 0 319.317 -0.498 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC[C@H](n2ccnn2)C1 ZINC001606291623 1018805797 /nfs/dbraw/zinc/80/57/97/1018805797.db2.gz UVSWCFZHAALCPC-JTQLQIEISA-N -1 0 302.356 -0.586 20 0 DBADRM CNS(=O)(=O)C1CCN(Cc2cnc(C(=O)[O-])cn2)CC1 ZINC001606298693 1018806300 /nfs/dbraw/zinc/80/63/00/1018806300.db2.gz CWLJTQFWYULQNY-UHFFFAOYSA-N -1 0 314.367 -0.312 20 0 DBADRM CNS(=O)(=O)CCCOC(=O)c1ccc(C(=O)[O-])n1C ZINC001606302377 1018806498 /nfs/dbraw/zinc/80/64/98/1018806498.db2.gz FTWOSTYNOKBXIG-UHFFFAOYSA-N -1 0 304.324 -0.181 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001606302614 1018807060 /nfs/dbraw/zinc/80/70/60/1018807060.db2.gz KBZYAHHHVYNSJP-UHFFFAOYSA-N -1 0 312.347 -0.181 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCC2(C(=O)[O-])CC2)C1 ZINC001606299110 1018807165 /nfs/dbraw/zinc/80/71/65/1018807165.db2.gz SIWVCNSESLFCQL-MRVPVSSYSA-N -1 0 305.356 -0.816 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N[C@@H]1COC[C@H]1O ZINC001606313202 1018807820 /nfs/dbraw/zinc/80/78/20/1018807820.db2.gz QHOSQFHAZVAHJO-GHMZBOCLSA-N -1 0 308.290 -0.872 20 0 DBADRM CNS(=O)(=O)CCCNc1ncnc(C(=O)[O-])c1OC ZINC001606302766 1018808671 /nfs/dbraw/zinc/80/86/71/1018808671.db2.gz MJDHFXQTKBZDHE-UHFFFAOYSA-N -1 0 304.328 -0.465 20 0 DBADRM COC(=O)[C@](C)(CO)NCC(=O)Nc1ccccc1C(=O)[O-] ZINC001606318101 1018809291 /nfs/dbraw/zinc/80/92/91/1018809291.db2.gz IJURRDNMEQOOMZ-AWEZNQCLSA-N -1 0 310.306 -0.163 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CC[C@H](C(=O)OC)C1 ZINC001606323042 1018809826 /nfs/dbraw/zinc/80/98/26/1018809826.db2.gz FKYXENXQWHABRS-HRDYMLBCSA-N -1 0 301.295 -0.292 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001606315510 1018809872 /nfs/dbraw/zinc/80/98/72/1018809872.db2.gz GESKEZYEBSLUPA-IUCAKERBSA-N -1 0 323.367 -0.575 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1 ZINC001606321383 1018809944 /nfs/dbraw/zinc/80/99/44/1018809944.db2.gz IHEVXSLJXKIQID-IONNQARKSA-N -1 0 319.339 -0.726 20 0 DBADRM CNc1nnc(CC(=O)N[C@@H](CC(=O)OC)C(=O)[O-])s1 ZINC001606315349 1018810263 /nfs/dbraw/zinc/81/02/63/1018810263.db2.gz QLDLABVTFOXVKO-YFKPBYRVSA-N -1 0 302.312 -0.745 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCC(=O)NCc2ccco2)nn1 ZINC001606326741 1018810742 /nfs/dbraw/zinc/81/07/42/1018810742.db2.gz UNVYHYUUJYIQBH-UHFFFAOYSA-N -1 0 307.266 -0.998 20 0 DBADRM COC(=O)/C(C)=C\CNC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1 ZINC001606320702 1018810273 /nfs/dbraw/zinc/81/02/73/1018810273.db2.gz PRAKFOKYUZXEBS-FGUAACIASA-N -1 0 313.354 -0.237 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@@H](c3cnccn3)C2)nn1 ZINC001606326234 1018810603 /nfs/dbraw/zinc/81/06/03/1018810603.db2.gz NHOAAHDTGNZWTF-SECBINFHSA-N -1 0 302.294 -0.218 20 0 DBADRM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001606325118 1018811007 /nfs/dbraw/zinc/81/10/07/1018811007.db2.gz IJUWVOCRTVLBJG-NTSWFWBYSA-N -1 0 303.283 -0.177 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)C[C@@H]1CCCOC1 ZINC001606324186 1018811167 /nfs/dbraw/zinc/81/11/67/1018811167.db2.gz AEGKGEJMGLOSKH-BDAKNGLRSA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)N1CCSCC1 ZINC001606324867 1018811780 /nfs/dbraw/zinc/81/17/80/1018811780.db2.gz YBZTZBCWBXXJKS-RKDXNWHRSA-N -1 0 304.368 -0.444 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC001606324819 1018811412 /nfs/dbraw/zinc/81/14/12/1018811412.db2.gz XTERCDMBPQFQLX-MWLCHTKSSA-N -1 0 322.317 -0.063 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@H](N3CCCC3=O)C2)nn1 ZINC001606325384 1018811712 /nfs/dbraw/zinc/81/17/12/1018811712.db2.gz AGKNLCFLNIOLKG-VIFPVBQESA-N -1 0 307.310 -0.800 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)nn1 ZINC001606326099 1018811754 /nfs/dbraw/zinc/81/17/54/1018811754.db2.gz JUFWTDXOSFIAFG-RYUDHWBXSA-N -1 0 323.353 -0.966 20 0 DBADRM COC(=O)[C@@H](NCCC(=O)N(C)CC(=O)[O-])C1CCOCC1 ZINC001606339569 1018812303 /nfs/dbraw/zinc/81/23/03/1018812303.db2.gz SIQADKDWWGFVOK-ZDUSSCGKSA-N -1 0 316.354 -0.523 20 0 DBADRM COC(=O)[C@@H](CCF)NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001606334969 1018812505 /nfs/dbraw/zinc/81/25/05/1018812505.db2.gz XDMNBTOVFAEQCR-SECBINFHSA-N -1 0 320.298 -0.041 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@H]2COc3ccccc3O2)nn1 ZINC001606331864 1018812636 /nfs/dbraw/zinc/81/26/36/1018812636.db2.gz ZUDYBMQYZLEVNC-VIFPVBQESA-N -1 0 318.289 -0.068 20 0 DBADRM COC(=O)[C@H](N)Cc1cn(Cc2nc(C(=O)[O-])cs2)nn1 ZINC001606332128 1018812702 /nfs/dbraw/zinc/81/27/02/1018812702.db2.gz BXWWQTCLAUMZBI-SSDOTTSWSA-N -1 0 311.323 -0.476 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@H](CO)C2CCCC2)n1 ZINC001606341624 1018812813 /nfs/dbraw/zinc/81/28/13/1018812813.db2.gz WTDUELSCZHRWFN-SNVBAGLBSA-N -1 0 324.337 -0.427 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@@H]2CCCN2CC(F)F)nn1 ZINC001606331777 1018812970 /nfs/dbraw/zinc/81/29/70/1018812970.db2.gz WFYFBHILUNEVKO-QMMMGPOBSA-N -1 0 317.296 -0.178 20 0 DBADRM COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)COCC(=O)[O-] ZINC001606331959 1018812992 /nfs/dbraw/zinc/81/29/92/1018812992.db2.gz NXKCSPJXIQZRTI-ZJUUUORDSA-N -1 0 303.311 -0.438 20 0 DBADRM COC(=O)[C@@]1(C)C[C@@H](OC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CN1C ZINC001606347535 1018813680 /nfs/dbraw/zinc/81/36/80/1018813680.db2.gz HAULGFAKIMVLBG-QOBXEIRBSA-N -1 0 315.322 -0.202 20 0 DBADRM COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001606348439 1018813721 /nfs/dbraw/zinc/81/37/21/1018813721.db2.gz WXJJYQGPQBJKSC-AEISUSGSSA-N -1 0 315.322 -0.202 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NCCCN2CCOC2=O)n1 ZINC001606348737 1018814111 /nfs/dbraw/zinc/81/41/11/1018814111.db2.gz JOJUGCHUDVOPLA-UHFFFAOYSA-N -1 0 311.298 -0.069 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCc3ncncc3C2)c1=O ZINC001606350680 1018814425 /nfs/dbraw/zinc/81/44/25/1018814425.db2.gz UJIXNSYRYRZYLW-UHFFFAOYSA-N -1 0 314.301 -0.079 20 0 DBADRM COC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001606348440 1018814474 /nfs/dbraw/zinc/81/44/74/1018814474.db2.gz WXJJYQGPQBJKSC-DLVJRCHESA-N -1 0 315.322 -0.202 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCc3[nH]cnc3C2)c1=O ZINC001606350884 1018815124 /nfs/dbraw/zinc/81/51/24/1018815124.db2.gz ZISSVJDXCLAHBN-UHFFFAOYSA-N -1 0 302.290 -0.146 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC001606356676 1018815415 /nfs/dbraw/zinc/81/54/15/1018815415.db2.gz HIOGNBFQNNFBAM-HNNXBMFYSA-N -1 0 323.301 -0.100 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@H](CO)c2ncc[nH]2)c1=O ZINC001606355156 1018815634 /nfs/dbraw/zinc/81/56/34/1018815634.db2.gz IJKFDTITAYCTPH-VIFPVBQESA-N -1 0 306.278 -0.881 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)OCCN2CCCC2=O)c1=O ZINC001606353798 1018815832 /nfs/dbraw/zinc/81/58/32/1018815832.db2.gz JCBZJOMWCNJYEQ-UHFFFAOYSA-N -1 0 308.290 -0.288 20 0 DBADRM COC(=O)C1(NS(=O)(=O)C[C@@H](C)C(=O)[O-])CCOCC1 ZINC001606353649 1018815872 /nfs/dbraw/zinc/81/58/72/1018815872.db2.gz BQDVYCQTDFHXJY-MRVPVSSYSA-N -1 0 309.340 -0.651 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@H](CO)c2ncc[nH]2)c1=O ZINC001606355155 1018816002 /nfs/dbraw/zinc/81/60/02/1018816002.db2.gz IJKFDTITAYCTPH-SECBINFHSA-N -1 0 306.278 -0.881 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001606356748 1018816533 /nfs/dbraw/zinc/81/65/33/1018816533.db2.gz JTBGQTQEZJOPPD-GFCCVEGCSA-N -1 0 312.282 -0.740 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@H](CO)c2cccnc2)c1=O ZINC001606355343 1018816596 /nfs/dbraw/zinc/81/65/96/1018816596.db2.gz PSADECLZWPPWSA-GFCCVEGCSA-N -1 0 317.301 -0.209 20 0 DBADRM COC(=O)C12CCC(CC1)N2S(=O)(=O)N(C)CCC(=O)[O-] ZINC001606359457 1018817063 /nfs/dbraw/zinc/81/70/63/1018817063.db2.gz RQOLEFIUBTZDTK-UHFFFAOYSA-N -1 0 320.367 -0.192 20 0 DBADRM COC(=O)C1=CC[C@@H](NC(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001606358921 1018817068 /nfs/dbraw/zinc/81/70/68/1018817068.db2.gz JJZKFOVUACRXKL-SNVBAGLBSA-N -1 0 320.301 -0.076 20 0 DBADRM COC(=O)C1=CC[C@H](NC(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001606358920 1018817121 /nfs/dbraw/zinc/81/71/21/1018817121.db2.gz JJZKFOVUACRXKL-JTQLQIEISA-N -1 0 320.301 -0.076 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C[C@@H]1CCNC1=O ZINC001606370994 1018817377 /nfs/dbraw/zinc/81/73/77/1018817377.db2.gz QQJZJTKAWRVEGT-AEJSXWLSSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)C1COC1 ZINC001606375235 1018817609 /nfs/dbraw/zinc/81/76/09/1018817609.db2.gz LIPUFWDBFJOQGR-APPZFPTMSA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H](C)n1cncn1 ZINC001606371168 1018818197 /nfs/dbraw/zinc/81/81/97/1018818197.db2.gz NJYYTSOUKCYSJD-AEJSXWLSSA-N -1 0 310.310 -0.296 20 0 DBADRM COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1cncc(C(=O)[O-])c1 ZINC001606369922 1018818206 /nfs/dbraw/zinc/81/82/06/1018818206.db2.gz GKEOXYAZKPWMCA-WDEREUQCSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H](O)c1cccnc1 ZINC001606373366 1018818342 /nfs/dbraw/zinc/81/83/42/1018818342.db2.gz VWBXJGANUKYEAT-ADEWGFFLSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001606373422 1018818365 /nfs/dbraw/zinc/81/83/65/1018818365.db2.gz KIJKICXPBVRLNM-WCBMZHEXSA-N -1 0 323.305 -0.741 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(=O)n1C ZINC001606384211 1018818621 /nfs/dbraw/zinc/81/86/21/1018818621.db2.gz CDCPIRGWHQGRDR-MWLCHTKSSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001606383780 1018819276 /nfs/dbraw/zinc/81/92/76/1018819276.db2.gz JYOZVHNQXRNOOO-UTLUCORTSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1ccnn1C ZINC001606384295 1018819328 /nfs/dbraw/zinc/81/93/28/1018819328.db2.gz NVSFJOQLGZGCDR-MWLCHTKSSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCCC(N)=O ZINC001606383747 1018819542 /nfs/dbraw/zinc/81/95/42/1018819542.db2.gz JNSHXLFLBHONTE-VHSXEESVSA-N -1 0 314.338 -0.103 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1Cc1nnnn1C1CC1 ZINC001606376775 1018819751 /nfs/dbraw/zinc/81/97/51/1018819751.db2.gz QZOHMUFMQLLTJK-WPRPVWTQSA-N -1 0 309.326 -0.154 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001606375264 1018819760 /nfs/dbraw/zinc/81/97/60/1018819760.db2.gz BDZVSQPRRINXCX-CHWFTXMASA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CN(C)C(C)=O)C1 ZINC001606391276 1018820367 /nfs/dbraw/zinc/82/03/67/1018820367.db2.gz GJHCIYXABFOWIZ-UWVGGRQHSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2nnc(C)o2)C1 ZINC001606390783 1018820413 /nfs/dbraw/zinc/82/04/13/1018820413.db2.gz BSMUOSMWBYQBQQ-DTWKUNHWSA-N -1 0 311.294 -0.215 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCOC1CCOCC1 ZINC001606388964 1018820487 /nfs/dbraw/zinc/82/04/87/1018820487.db2.gz VNHLEBFEXQPVRG-NSHDSACASA-N -1 0 322.383 -0.435 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cn2cccnc2=O)C1 ZINC001606391905 1018820612 /nfs/dbraw/zinc/82/06/12/1018820612.db2.gz JTHAWCCUQDRGDB-ZJUUUORDSA-N -1 0 323.305 -0.892 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCn1ccnn1 ZINC001606385591 1018821313 /nfs/dbraw/zinc/82/13/13/1018821313.db2.gz USZGQOAGCAEIMF-UWVGGRQHSA-N -1 0 310.310 -0.467 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2nnc(C)o2)C1 ZINC001606390786 1018821524 /nfs/dbraw/zinc/82/15/24/1018821524.db2.gz BSMUOSMWBYQBQQ-RKDXNWHRSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cnc(C)nc2N)C1 ZINC001606395276 1018822746 /nfs/dbraw/zinc/82/27/46/1018822746.db2.gz VXVPLMUACNTCMU-WCBMZHEXSA-N -1 0 322.321 -0.154 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CN2CCOC2=O)[C@@H](C(=O)[O-])C1 ZINC001606402449 1018823877 /nfs/dbraw/zinc/82/38/77/1018823877.db2.gz DHKZUNNVWPREBT-DTWKUNHWSA-N -1 0 314.294 -0.697 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1=O ZINC001606405986 1018825680 /nfs/dbraw/zinc/82/56/80/1018825680.db2.gz XPMNZLOGUTWPLE-KOLCDFICSA-N -1 0 314.338 -0.377 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)[C@@H](C(=O)[O-])C1 ZINC001606409217 1018826206 /nfs/dbraw/zinc/82/62/06/1018826206.db2.gz ZXFNKJXNHPZAQT-OIBJUYFYSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)[C@H](C(=O)[O-])C1 ZINC001606405525 1018826351 /nfs/dbraw/zinc/82/63/51/1018826351.db2.gz ZNBBEUPDVYKPGH-AEJSXWLSSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)[C@H](C(=O)[O-])C1 ZINC001606409218 1018826614 /nfs/dbraw/zinc/82/66/14/1018826614.db2.gz ZXFNKJXNHPZAQT-XCBNKYQSSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C(=O)[O-] ZINC001606417809 1018829358 /nfs/dbraw/zinc/82/93/58/1018829358.db2.gz JPMVOKGEVPQCIV-RKDXNWHRSA-N -1 0 300.311 -0.636 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C(=O)[O-] ZINC001606417804 1018829364 /nfs/dbraw/zinc/82/93/64/1018829364.db2.gz JPMVOKGEVPQCIV-BDAKNGLRSA-N -1 0 300.311 -0.636 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@@H]1C(=O)[O-] ZINC001606417678 1018829842 /nfs/dbraw/zinc/82/98/42/1018829842.db2.gz RVBOANMWWJBGRK-ATEUNZGCSA-N -1 0 312.322 -0.765 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CO[C@H](C)C2)C[C@H]1C(=O)[O-] ZINC001606417479 1018830237 /nfs/dbraw/zinc/83/02/37/1018830237.db2.gz IARGEHHKTWYOPU-UTINFBMNSA-N -1 0 300.311 -0.321 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCCn2cccn2)C[C@@H]1C(=O)[O-] ZINC001606416442 1018830461 /nfs/dbraw/zinc/83/04/61/1018830461.db2.gz BOICXCAIXIBELC-WDEREUQCSA-N -1 0 309.322 -0.005 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NC2CCOCC2)C[C@H]1C(=O)[O-] ZINC001606419091 1018830839 /nfs/dbraw/zinc/83/08/39/1018830839.db2.gz OVSSRMZUSBHGRX-ZJUUUORDSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCc2ocnc2C(=O)[O-])CCO1 ZINC001606420216 1018831315 /nfs/dbraw/zinc/83/13/15/1018831315.db2.gz TVPOSGAFZUYFLC-SECBINFHSA-N -1 0 312.278 -0.294 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cc2nnc(C)s2)C[C@@H]1C(=O)[O-] ZINC001606419324 1018831525 /nfs/dbraw/zinc/83/15/25/1018831525.db2.gz PFFIGYRZFXYXQZ-JGVFFNPUSA-N -1 0 313.335 -0.279 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1C(=O)[O-] ZINC001606420543 1018831861 /nfs/dbraw/zinc/83/18/61/1018831861.db2.gz IJPLKHXMABERMT-HTQZYQBOSA-N -1 0 309.278 -0.779 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2ocnc2C)C[C@@H]1C(=O)[O-] ZINC001606424874 1018832751 /nfs/dbraw/zinc/83/27/51/1018832751.db2.gz YWFQSIKNVCQZBQ-DTWKUNHWSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1C(=O)[O-] ZINC001606423633 1018833061 /nfs/dbraw/zinc/83/30/61/1018833061.db2.gz RJNMSUKVPIMBCN-KJPMQGKISA-N -1 0 312.322 -0.179 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2cnc(C)o2)C[C@@H]1C(=O)[O-] ZINC001606424994 1018833111 /nfs/dbraw/zinc/83/31/11/1018833111.db2.gz ZATFQCCYHRHXNC-UWVGGRQHSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnn(C(C)C)c2N)C[C@H]1C(=O)[O-] ZINC001606425699 1018833193 /nfs/dbraw/zinc/83/31/93/1018833193.db2.gz MSYLRDFGHFLSBN-NXEZZACHSA-N -1 0 324.337 -0.008 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)C[C@@H]1C(=O)[O-] ZINC001606423635 1018833707 /nfs/dbraw/zinc/83/37/07/1018833707.db2.gz RJNMSUKVPIMBCN-LADJIXMOSA-N -1 0 312.322 -0.179 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCOCCF)C[C@H]1C(=O)[O-] ZINC001606423607 1018833767 /nfs/dbraw/zinc/83/37/67/1018833767.db2.gz RDZKDZLJKDNYGG-BDAKNGLRSA-N -1 0 306.290 -0.512 20 0 DBADRM COC(=O)[C@H]1CN(C)CCN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001606426585 1018834241 /nfs/dbraw/zinc/83/42/41/1018834241.db2.gz RZYWVAIYZBDEJC-NSHDSACASA-N -1 0 321.333 -0.043 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cn(C)nc2OC)C[C@@H]1C(=O)[O-] ZINC001606426753 1018834483 /nfs/dbraw/zinc/83/44/83/1018834483.db2.gz SRVYVSYXHCPMKW-YUMQZZPRSA-N -1 0 311.294 -0.626 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@@H]1C(=O)[O-] ZINC001606426565 1018834486 /nfs/dbraw/zinc/83/44/86/1018834486.db2.gz RWZTZEPXTOACLP-YUMQZZPRSA-N -1 0 318.289 -0.096 20 0 DBADRM COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC001606427428 1018834753 /nfs/dbraw/zinc/83/47/53/1018834753.db2.gz XQGJEYUGABFSTI-JTQLQIEISA-N -1 0 322.383 -0.782 20 0 DBADRM COC(=O)[C@H]1CN(Cn2cc3[nH]cccc-3c2=O)C[C@H]1C(=O)[O-] ZINC001606429890 1018834966 /nfs/dbraw/zinc/83/49/66/1018834966.db2.gz LSUVSYNWZOBLKJ-MNOVXSKESA-N -1 0 319.317 -0.200 20 0 DBADRM COC(=O)[C@H]1CN(c2cc(C)nc3ncnn32)C[C@H]1C(=O)[O-] ZINC001606433299 1018836335 /nfs/dbraw/zinc/83/63/35/1018836335.db2.gz VWHRGZCVQILWSU-BDAKNGLRSA-N -1 0 305.294 -0.257 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)CC[C@@H]1CCCO1)C2 ZINC001606433778 1018836377 /nfs/dbraw/zinc/83/63/77/1018836377.db2.gz TWACQRTUWHBDJR-GVXVVHGQSA-N -1 0 319.379 -0.082 20 0 DBADRM COC(=O)[C@H]1CN(c2cc(C)nc3ncnn32)C[C@@H]1C(=O)[O-] ZINC001606433303 1018836450 /nfs/dbraw/zinc/83/64/50/1018836450.db2.gz VWHRGZCVQILWSU-IUCAKERBSA-N -1 0 305.294 -0.257 20 0 DBADRM COC(=O)[C@H]1CN(Cn2nc3ccccn3c2=O)C[C@H]1C(=O)[O-] ZINC001606430925 1018836530 /nfs/dbraw/zinc/83/65/30/1018836530.db2.gz FPDZNRQWFVVPGR-ZJUUUORDSA-N -1 0 320.305 -0.741 20 0 DBADRM COC(=O)[C@@H]1CN(c2ncnc3c2cnn3C)C[C@H]1C(=O)[O-] ZINC001606431217 1018836614 /nfs/dbraw/zinc/83/66/14/1018836614.db2.gz IJBGPOQCGMXNKF-RKDXNWHRSA-N -1 0 305.294 -0.327 20 0 DBADRM COC(=O)C=C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606434760 1018837260 /nfs/dbraw/zinc/83/72/60/1018837260.db2.gz YYIJRJAGABUOCR-FCJGRKLLSA-N -1 0 303.296 -0.496 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc(C(=O)OC)n1C)C(=O)[O-] ZINC001606442653 1018838075 /nfs/dbraw/zinc/83/80/75/1018838075.db2.gz YYVSSGPSFGVRET-SSDOTTSWSA-N -1 0 312.278 -0.442 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](n3cncn3)C2)C1 ZINC001606441482 1018838291 /nfs/dbraw/zinc/83/82/91/1018838291.db2.gz WMLGXFYKPMRUKV-QWRGUYRKSA-N -1 0 321.337 -0.625 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)C(=O)OC ZINC001606441786 1018838513 /nfs/dbraw/zinc/83/85/13/1018838513.db2.gz CKOLJNOANTVBDG-SECBINFHSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H](C)Sc1nncn1C)C(=O)[O-] ZINC001606438351 1018839130 /nfs/dbraw/zinc/83/91/30/1018839130.db2.gz GUQDRMKCRGQLJZ-BQBZGAKWSA-N -1 0 316.339 -0.572 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CN1CSCCSC1)C(=O)[O-] ZINC001606441098 1018839250 /nfs/dbraw/zinc/83/92/50/1018839250.db2.gz YAKONFHUCCGXEO-MRVPVSSYSA-N -1 0 322.408 -0.184 20 0 DBADRM COC(=O)C[C@H]1CSCCN1[C@H](C)C(=O)NCC(=O)[O-] ZINC001606447666 1018841743 /nfs/dbraw/zinc/84/17/43/1018841743.db2.gz WHYIXSDKKXDVLR-BDAKNGLRSA-N -1 0 304.368 -0.444 20 0 DBADRM COC(=O)C[C@]1(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CCOC1 ZINC001606445374 1018840296 /nfs/dbraw/zinc/84/02/96/1018840296.db2.gz FXTISOQDGSWFTN-RSVSFAPFSA-N -1 0 315.322 -0.297 20 0 DBADRM COC(=O)C[C@@]1(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CCOC1 ZINC001606445273 1018840301 /nfs/dbraw/zinc/84/03/01/1018840301.db2.gz FXTISOQDGSWFTN-FTBFGRRBSA-N -1 0 315.322 -0.297 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)CC1 ZINC001606445779 1018840659 /nfs/dbraw/zinc/84/06/59/1018840659.db2.gz VQEKQVNTZGHALT-LBPRGKRZSA-N -1 0 321.351 -0.819 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC001606453993 1018841801 /nfs/dbraw/zinc/84/18/01/1018841801.db2.gz QLZJKBRACVEOJL-UHFFFAOYSA-N -1 0 320.367 -0.192 20 0 DBADRM COC(=O)CCCCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606453436 1018842194 /nfs/dbraw/zinc/84/21/94/1018842194.db2.gz YVMSQCVAHQDHNI-JTQLQIEISA-N -1 0 314.338 -0.231 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)CCO1 ZINC001606447638 1018842306 /nfs/dbraw/zinc/84/23/06/1018842306.db2.gz VUBNJTBQCGVKAJ-SNVBAGLBSA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CCc2nncn2CC1)C(=O)[O-] ZINC001606458794 1018843783 /nfs/dbraw/zinc/84/37/83/1018843783.db2.gz SGMORSCFAXAZBX-VHSXEESVSA-N -1 0 324.337 -0.247 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)C[C@@H](OC)C1CC1)C(=O)[O-] ZINC001606459417 1018843835 /nfs/dbraw/zinc/84/38/35/1018843835.db2.gz BCPNQVYCBHUIHO-NXEZZACHSA-N -1 0 323.367 -0.263 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)C1=C[S@](=O)CCC1)C(=O)[O-] ZINC001606458451 1018844310 /nfs/dbraw/zinc/84/43/10/1018844310.db2.gz MMJGIFVDLJLWGY-GSDQLPOLSA-N -1 0 303.336 -0.065 20 0 DBADRM COC(=O)COCC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)[O-] ZINC001606470736 1018844835 /nfs/dbraw/zinc/84/48/35/1018844835.db2.gz DXQFDZUJFPLWMD-LBPRGKRZSA-N -1 0 323.301 -0.080 20 0 DBADRM CCCC(=O)NC/C=C/CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001501638769 1018845635 /nfs/dbraw/zinc/84/56/35/1018845635.db2.gz KDVNZHFZSDJAHC-ONEGZZNKSA-N -1 0 323.353 -0.196 20 0 DBADRM COC(=O)Cc1cccc(NC(=O)NC[C@@H](O)CC(=O)[O-])n1 ZINC001606480219 1018846324 /nfs/dbraw/zinc/84/63/24/1018846324.db2.gz VFCGEMNVWRBSLC-VIFPVBQESA-N -1 0 311.294 -0.246 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)N1CCSC[C@H]1CC(=O)[O-] ZINC001606471523 1018846341 /nfs/dbraw/zinc/84/63/41/1018846341.db2.gz IFKCDMYWJYVUEH-DTWKUNHWSA-N -1 0 304.368 -0.444 20 0 DBADRM COC(=O)COCCNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001606473814 1018846564 /nfs/dbraw/zinc/84/65/64/1018846564.db2.gz IUSSQZUCNNCOQC-UHFFFAOYSA-N -1 0 317.319 -0.147 20 0 DBADRM COC(=O)C[C@@H](OC(=O)/C=C/c1ccc(C(N)=O)o1)C(=O)[O-] ZINC001606477523 1018846583 /nfs/dbraw/zinc/84/65/83/1018846583.db2.gz YBCUQRPCMSVDSW-HYYFJVDXSA-N -1 0 311.246 -0.049 20 0 DBADRM COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)[O-] ZINC001606478385 1018846609 /nfs/dbraw/zinc/84/66/09/1018846609.db2.gz JKXPQAXMOBJIGQ-QMMMGPOBSA-N -1 0 318.326 -0.014 20 0 DBADRM COC(=O)COc1cccc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)c1 ZINC001606473705 1018846810 /nfs/dbraw/zinc/84/68/10/1018846810.db2.gz TVJYGZWHPPNLPA-OAHLLOKOSA-N -1 0 323.301 -0.100 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)c1cncc(C(=O)[O-])c1 ZINC001606471490 1018846900 /nfs/dbraw/zinc/84/69/00/1018846900.db2.gz GQAXLYUMFKMJSC-ZETCQYMHSA-N -1 0 310.262 -0.386 20 0 DBADRM CC(C)CC(=O)NC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001501649328 1018847718 /nfs/dbraw/zinc/84/77/18/1018847718.db2.gz DWDYFLQNEHITJP-ARJAWSKDSA-N -1 0 311.342 -0.476 20 0 DBADRM COC(=O)NCC(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001606493300 1018847971 /nfs/dbraw/zinc/84/79/71/1018847971.db2.gz AYUQFBRCHCBUFX-UHFFFAOYSA-N -1 0 323.309 -0.821 20 0 DBADRM COC(=O)N1CCC(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1 ZINC001606490051 1018848207 /nfs/dbraw/zinc/84/82/07/1018848207.db2.gz RYRMMBRBIGDDFW-NXEZZACHSA-N -1 0 300.311 -0.489 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)c1cnc([O-])n(C)c1=O ZINC001501657281 1018848401 /nfs/dbraw/zinc/84/84/01/1018848401.db2.gz VUMCOHSBOQYYQV-HWKXXFMVSA-N -1 0 320.349 -0.456 20 0 DBADRM COC(=O)N1CCC(C(=O)OCC(=O)NCCC(=O)[O-])CC1 ZINC001606490458 1018848748 /nfs/dbraw/zinc/84/87/48/1018848748.db2.gz PRHADDPBDDQJMO-UHFFFAOYSA-N -1 0 316.310 -0.401 20 0 DBADRM COC(=O)N1CCC(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1 ZINC001606489928 1018848818 /nfs/dbraw/zinc/84/88/18/1018848818.db2.gz RWBQMQSUIZPVCD-MNOVXSKESA-N -1 0 314.338 -0.241 20 0 DBADRM COC(=O)[C@@H](C)N(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606501578 1018849341 /nfs/dbraw/zinc/84/93/41/1018849341.db2.gz ZLUCYCSSENCFRU-BDAKNGLRSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C1=C[S@](=O)CCC1 ZINC001606505420 1018849570 /nfs/dbraw/zinc/84/95/70/1018849570.db2.gz OYEAXGSRUJWANO-GSDQLPOLSA-N -1 0 303.336 -0.065 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CCN3CCOC[C@]3(CO)C2)c1 ZINC001606504310 1018849757 /nfs/dbraw/zinc/84/97/57/1018849757.db2.gz NUYDOACXJYHKDL-MRXNPFEDSA-N -1 0 320.345 -0.096 20 0 DBADRM COC(=O)[C@@H](NC(=O)CN1CC[C@](F)(C(=O)[O-])C1)C(C)C ZINC001606506209 1018849831 /nfs/dbraw/zinc/84/98/31/1018849831.db2.gz WCVCSCOKYVJCPP-GXFFZTMASA-N -1 0 304.318 -0.201 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cc2n(n1)CCCO2 ZINC001606505143 1018850371 /nfs/dbraw/zinc/85/03/71/1018850371.db2.gz LJPABZHLDTYENG-MRVPVSSYSA-N -1 0 311.294 -0.198 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001606519162 1018851301 /nfs/dbraw/zinc/85/13/01/1018851301.db2.gz BLOOHEQFLDQOJY-ZYUZMQFOSA-N -1 0 300.311 -0.273 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nn2)C[C@H](C)O1 ZINC001606511023 1018851755 /nfs/dbraw/zinc/85/17/55/1018851755.db2.gz WCMPPGNZLYELFK-CBAPKCEASA-N -1 0 324.293 -0.031 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)N2CC[C@](OC)(C(=O)[O-])C2)C1 ZINC001606519540 1018851785 /nfs/dbraw/zinc/85/17/85/1018851785.db2.gz OEEQXTRZXLZSSG-VYUIOLGVSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)c1cc(C)nc(N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])n1 ZINC001606539655 1018852259 /nfs/dbraw/zinc/85/22/59/1018852259.db2.gz AAPCWWBEUWIGIM-YUMQZZPRSA-N -1 0 310.310 -0.039 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN1C[C@@H]2COC[C@H](C1)O2 ZINC001606538464 1018852478 /nfs/dbraw/zinc/85/24/78/1018852478.db2.gz VQGPGIVTCHCWSP-DTORHVGOSA-N -1 0 311.294 -0.575 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN2CC[C@@H](C(=O)OC)C2)n1 ZINC001606536437 1018852909 /nfs/dbraw/zinc/85/29/09/1018852909.db2.gz DILSDEZBQJEGHY-MRVPVSSYSA-N -1 0 311.294 -0.180 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN2CCN(C3CC3)C(=O)C2)n1 ZINC001606537250 1018853213 /nfs/dbraw/zinc/85/32/13/1018853213.db2.gz WEEYKKVPSMWRKY-UHFFFAOYSA-N -1 0 322.321 -0.368 20 0 DBADRM O=C(CN1CCOC1=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001606549486 1018854279 /nfs/dbraw/zinc/85/42/79/1018854279.db2.gz SSXGKWRMZWNSKZ-UHFFFAOYSA-N -1 0 304.266 -0.271 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)CC=CC1 ZINC001606569421 1018855084 /nfs/dbraw/zinc/85/50/84/1018855084.db2.gz JFWFXEUIKDNGFR-CQSZACIVSA-N -1 0 307.306 -0.392 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)on1 ZINC001606563907 1018855696 /nfs/dbraw/zinc/85/56/96/1018855696.db2.gz CWGMFKWMHGXLEI-ZETCQYMHSA-N -1 0 318.307 -0.054 20 0 DBADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001606569439 1018855770 /nfs/dbraw/zinc/85/57/70/1018855770.db2.gz KKUXYWIUACZYLF-SCZZXKLOSA-N -1 0 323.309 -0.534 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)c2ccccc21 ZINC001606563752 1018856126 /nfs/dbraw/zinc/85/61/26/1018856126.db2.gz HHBMUUZEMDPWAO-OLZOCXBDSA-N -1 0 317.345 -0.152 20 0 DBADRM O=C([O-])c1cncc(NC(=O)NCCN2CCNC(=O)C2)c1 ZINC001606564195 1018856223 /nfs/dbraw/zinc/85/62/23/1018856223.db2.gz PJJRVRJEBUJPKO-UHFFFAOYSA-N -1 0 307.310 -0.667 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCC3(CCNC(=O)O3)CC2)C1 ZINC001606569910 1018857245 /nfs/dbraw/zinc/85/72/45/1018857245.db2.gz RLMMUJMBRBHAHL-SECBINFHSA-N -1 0 311.294 -0.293 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)NC[C@@H]1COCO1 ZINC001606576410 1018857693 /nfs/dbraw/zinc/85/76/93/1018857693.db2.gz XDIJCCYAXBFAOO-LLVKDONJSA-N -1 0 305.294 -0.265 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])n1C ZINC001606571758 1018857836 /nfs/dbraw/zinc/85/78/36/1018857836.db2.gz AZYBSJNINNFBIT-MNOVXSKESA-N -1 0 310.306 -0.138 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)N[C@H]1CCOC1=O ZINC001606578459 1018857881 /nfs/dbraw/zinc/85/78/81/1018857881.db2.gz GPGXQAXTUXRFRE-VIFPVBQESA-N -1 0 303.278 -0.323 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)N(C)CCO)cc1C(=O)[O-] ZINC001606594999 1018858433 /nfs/dbraw/zinc/85/84/33/1018858433.db2.gz MJRFYXKMMLFNJI-UHFFFAOYSA-N -1 0 324.289 -0.439 20 0 DBADRM COC(=O)c1cccc(=O)n1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001606609185 1018859061 /nfs/dbraw/zinc/85/90/61/1018859061.db2.gz YYQLQCCPJDCIEJ-UHFFFAOYSA-N -1 0 322.317 -0.042 20 0 DBADRM O=C(Cc1ccco1)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001606604461 1018859386 /nfs/dbraw/zinc/85/93/86/1018859386.db2.gz LRCGHEVRXMAPDM-UHFFFAOYSA-N -1 0 314.309 -0.558 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCO[C@H]1C1CC1 ZINC001606623251 1018860022 /nfs/dbraw/zinc/86/00/22/1018860022.db2.gz COXYIZVZEYLBED-SCZZXKLOSA-N -1 0 304.314 -0.858 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCO[C@H]2CCCC[C@H]21 ZINC001606621107 1018860546 /nfs/dbraw/zinc/86/05/46/1018860546.db2.gz XVBYDVSPHBNYAD-ZJUUUORDSA-N -1 0 318.341 -0.372 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001606620804 1018860568 /nfs/dbraw/zinc/86/05/68/1018860568.db2.gz QWMVCMFXOBHFSM-KXUCPTDWSA-N -1 0 318.341 -0.468 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H](C1CC1)C(F)(F)F ZINC001606620390 1018860656 /nfs/dbraw/zinc/86/06/56/1018860656.db2.gz KNAIZKTZMCGQJO-ZETCQYMHSA-N -1 0 316.247 -0.085 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2CC[C@](OC)(C(=O)[O-])C2)n1 ZINC001606622477 1018861193 /nfs/dbraw/zinc/86/11/93/1018861193.db2.gz VACQSZDXAZHZRW-CYBMUJFWSA-N -1 0 311.294 -0.628 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1nccn1C1CC1 ZINC001606623680 1018861302 /nfs/dbraw/zinc/86/13/02/1018861302.db2.gz YOGJWNZALFXIIQ-UHFFFAOYSA-N -1 0 300.286 -0.372 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cnn(C(F)F)c1 ZINC001606623663 1018861483 /nfs/dbraw/zinc/86/14/83/1018861483.db2.gz XKUGFFHZBNOZTK-UHFFFAOYSA-N -1 0 310.228 -0.312 20 0 DBADRM COC(=O)c1cnn(C)c1NC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001606629258 1018862035 /nfs/dbraw/zinc/86/20/35/1018862035.db2.gz GZTSEASRARNION-LBPRGKRZSA-N -1 0 312.282 -0.740 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)NCC1(C(=O)[O-])CC1 ZINC001606636895 1018862079 /nfs/dbraw/zinc/86/20/79/1018862079.db2.gz KPWSEQUPRPDTAN-UHFFFAOYSA-N -1 0 312.278 -0.041 20 0 DBADRM COC(=O)c1cnc(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)cn1 ZINC001606625512 1018862816 /nfs/dbraw/zinc/86/28/16/1018862816.db2.gz LAVZPONNHCOEBA-XNCJUZBTSA-N -1 0 315.232 -0.041 20 0 DBADRM CO[C@H](C(=O)NCCNc1ccnc(C(=O)[O-])n1)C1CCC1 ZINC001606650148 1018864269 /nfs/dbraw/zinc/86/42/69/1018864269.db2.gz GQAIWFOZDVZONS-NSHDSACASA-N -1 0 308.338 -0.060 20 0 DBADRM CO[C@@H](C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)C1CC1 ZINC001606644657 1018864309 /nfs/dbraw/zinc/86/43/09/1018864309.db2.gz UIADWHCVLWWIFR-IUODEOHRSA-N -1 0 312.366 -0.201 20 0 DBADRM CO[C@H](C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-])[C@H]1CCOC1 ZINC001606649802 1018864370 /nfs/dbraw/zinc/86/43/70/1018864370.db2.gz XRTOMWLJRAOMHE-MJVIPROJSA-N -1 0 311.338 -0.106 20 0 DBADRM CO[C@H](C)C(=O)N1[C@@H](C)SC[C@H]1C(=O)NCCC(=O)[O-] ZINC001606659609 1018864392 /nfs/dbraw/zinc/86/43/92/1018864392.db2.gz PPNIOVXYKLEBNJ-HLTSFMKQSA-N -1 0 304.368 -0.098 20 0 DBADRM CO[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])c1cnn(C)c1 ZINC001606644256 1018864550 /nfs/dbraw/zinc/86/45/50/1018864550.db2.gz IYLFHFFZRLKLKX-CMPLNLGQSA-N -1 0 324.337 -0.701 20 0 DBADRM CO[C@H](C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])c1ccc(O)cc1 ZINC001606649386 1018864636 /nfs/dbraw/zinc/86/46/36/1018864636.db2.gz RZBUSFXSCMDSNP-AAEUAGOBSA-N -1 0 322.317 -0.119 20 0 DBADRM CO[C@H](CS(=O)(=O)NC1CC(C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001606682611 1018865089 /nfs/dbraw/zinc/86/50/89/1018865089.db2.gz FWDACEXEOXCNAO-AGVGLQIMSA-N -1 0 307.368 -0.180 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@@H](OC)[C@H]1CCOC1)OC ZINC001606669324 1018865288 /nfs/dbraw/zinc/86/52/88/1018865288.db2.gz XDOILNUWWTZMHS-GWCFXTLKSA-N -1 0 319.354 -0.040 20 0 DBADRM CO[C@H](CS(=O)(=O)NC1CC(C(=O)[O-])C1)[C@H]1CCOC1 ZINC001606682612 1018865460 /nfs/dbraw/zinc/86/54/60/1018865460.db2.gz FWDACEXEOXCNAO-IDWGSYCQSA-N -1 0 307.368 -0.180 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001606673449 1018865510 /nfs/dbraw/zinc/86/55/10/1018865510.db2.gz KTUSZQHYOAMLBC-NAKRPEOUSA-N -1 0 314.338 -0.867 20 0 DBADRM CO[C@H](CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-])[C@H]1CCOC1 ZINC001606673356 1018865650 /nfs/dbraw/zinc/86/56/50/1018865650.db2.gz HWXDTCCVFAUNLC-QJPTWQEYSA-N -1 0 321.395 -0.388 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@H](CCF)C(=O)[O-])[C@H]1CCOC1 ZINC001606683555 1018866702 /nfs/dbraw/zinc/86/67/02/1018866702.db2.gz WCLVAFXNPFSXQG-IVZWLZJFSA-N -1 0 313.347 -0.230 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC[C@H](F)C(=O)[O-])C1CCOCC1 ZINC001606683302 1018866828 /nfs/dbraw/zinc/86/68/28/1018866828.db2.gz RKPUTQBYHFNSAX-UWVGGRQHSA-N -1 0 313.347 -0.230 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1CC1 ZINC001606683529 1018867329 /nfs/dbraw/zinc/86/73/29/1018867329.db2.gz VWNIOMBTLSXSBJ-OYNCUSHFSA-N -1 0 322.383 -0.691 20 0 DBADRM CO[C@H](Cn1nnnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C1CC1 ZINC001606685511 1018867718 /nfs/dbraw/zinc/86/77/18/1018867718.db2.gz UIADGBDHEZJAGF-IEBDPFPHSA-N -1 0 311.342 -0.224 20 0 DBADRM CO[C@@]1(C(=O)Nc2ccnc(C(=O)[O-])n2)CCS(=O)(=O)C1 ZINC001606692733 1018868433 /nfs/dbraw/zinc/86/84/33/1018868433.db2.gz ZVZUIUMMJWSRGL-NSHDSACASA-N -1 0 315.307 -0.683 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2nccs2)C1 ZINC001606695549 1018868505 /nfs/dbraw/zinc/86/85/05/1018868505.db2.gz DFJMLDXSILWJSZ-GFCCVEGCSA-N -1 0 313.335 -0.539 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCOCC2CC2)C1 ZINC001606697171 1018868756 /nfs/dbraw/zinc/86/87/56/1018868756.db2.gz SVDZXOCDRYGWHU-CQSZACIVSA-N -1 0 314.338 -0.769 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCCN2CCO[C@H](C)C2)C1 ZINC001606697308 1018868799 /nfs/dbraw/zinc/86/87/99/1018868799.db2.gz BBYGQMJJBHYFSV-BXUZGUMPSA-N -1 0 315.370 -0.408 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOCC[C@@H]2C)C1 ZINC001606691908 1018868909 /nfs/dbraw/zinc/86/89/09/1018868909.db2.gz SLFAQWJJZIUCSC-IINYFYTJSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2COCCN2C)C1 ZINC001606697335 1018869341 /nfs/dbraw/zinc/86/93/41/1018869341.db2.gz BMVZRIBNIAJZKW-ZWNOBZJWSA-N -1 0 301.343 -0.798 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCCC2CS(=O)(=O)C2)C1 ZINC001606699357 1018869668 /nfs/dbraw/zinc/86/96/68/1018869668.db2.gz UJVDDNWWGVKKLX-GFCCVEGCSA-N -1 0 320.367 -0.694 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC001606703336 1018869792 /nfs/dbraw/zinc/86/97/92/1018869792.db2.gz NOWJAYDIXQRSPV-ZIAGYGMSSA-N -1 0 311.338 -0.160 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCCCc2cnn(C)n2)C1 ZINC001606699444 1018870206 /nfs/dbraw/zinc/87/02/06/1018870206.db2.gz WICWPIKQFHEZCV-ZDUSSCGKSA-N -1 0 311.342 -0.367 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)CN2CCOCC2)C1 ZINC001606697930 1018870512 /nfs/dbraw/zinc/87/05/12/1018870512.db2.gz RNIJBNBPFWOGSE-RISCZKNCSA-N -1 0 315.370 -0.408 20 0 DBADRM CO[C@]1(C(=O)OCC2(C(=O)[O-])CCC2)CCS(=O)(=O)C1 ZINC001606706844 1018871330 /nfs/dbraw/zinc/87/13/30/1018871330.db2.gz AGAQMLICRIQUFV-GFCCVEGCSA-N -1 0 306.336 -0.012 20 0 DBADRM CO[C@@]1(CNC(=O)N2CC[C@](OC)(C(=O)[O-])C2)CCOC1 ZINC001606716842 1018871621 /nfs/dbraw/zinc/87/16/21/1018871621.db2.gz MHVDBQXDKJBNDP-CHWSQXEVSA-N -1 0 302.327 -0.323 20 0 DBADRM CO[C@]1(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CCSC1 ZINC001606717099 1018871938 /nfs/dbraw/zinc/87/19/38/1018871938.db2.gz OAWZPVAWMAJXJZ-KWBADKCTSA-N -1 0 318.395 -0.015 20 0 DBADRM COC1([C@H](C(=O)[O-])N(C)Cc2nnc3c(=O)[nH]ccn23)CCC1 ZINC001606707994 1018872228 /nfs/dbraw/zinc/87/22/28/1018872228.db2.gz IAGPQELXTCKTPC-JTQLQIEISA-N -1 0 321.337 -0.128 20 0 DBADRM COC1(OC)CCOC[C@@H]1NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001606724726 1018872594 /nfs/dbraw/zinc/87/25/94/1018872594.db2.gz ZAPQSBKZMOHFDT-JTQLQIEISA-N -1 0 313.310 -0.525 20 0 DBADRM CO[C@H]1CC[C@@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001606732404 1018872601 /nfs/dbraw/zinc/87/26/01/1018872601.db2.gz CHFHPILNEZIUBJ-QEYWKRMJSA-N -1 0 301.343 -0.169 20 0 DBADRM COC1(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001606719357 1018872643 /nfs/dbraw/zinc/87/26/43/1018872643.db2.gz AQMWPGWLHXPFRX-AOOOYVTPSA-N -1 0 307.368 -0.035 20 0 DBADRM COC1(CO)CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001606719441 1018872731 /nfs/dbraw/zinc/87/27/31/1018872731.db2.gz DDOLRNOUAICCCY-UHFFFAOYSA-N -1 0 307.368 -0.203 20 0 DBADRM CO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C12CCC2 ZINC001606723647 1018873090 /nfs/dbraw/zinc/87/30/90/1018873090.db2.gz WJYDVKONHUCZQU-XWLWVQCSSA-N -1 0 310.350 -0.103 20 0 DBADRM CO[C@H]1CC[C@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001606732405 1018873144 /nfs/dbraw/zinc/87/31/44/1018873144.db2.gz CHFHPILNEZIUBJ-XKNYDFJKSA-N -1 0 301.343 -0.169 20 0 DBADRM CO[C@@H]1CCC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001606740900 1018873387 /nfs/dbraw/zinc/87/33/87/1018873387.db2.gz FOJOZBRZHXCVJM-GARJFASQSA-N -1 0 319.379 -0.098 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2cn(C)nn2)c1[O-] ZINC001501782382 1018873732 /nfs/dbraw/zinc/87/37/32/1018873732.db2.gz TXBKJMYJFBAEMW-ONEGZZNKSA-N -1 0 319.325 -0.732 20 0 DBADRM CO[C@H]1CCN(C(=O)CNC(=O)c2cccnc2)[C@H](C(=O)[O-])C1 ZINC001606750593 1018873910 /nfs/dbraw/zinc/87/39/10/1018873910.db2.gz MLIRTXWBSUPFND-RYUDHWBXSA-N -1 0 321.333 -0.098 20 0 DBADRM CO[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)[C@@H](C(=O)[O-])C1 ZINC001606749655 1018874043 /nfs/dbraw/zinc/87/40/43/1018874043.db2.gz FKVOBGLVQPDQBD-RKDXNWHRSA-N -1 0 313.310 -0.981 20 0 DBADRM CO[C@H]1CCN(Cc2nnc3c(=O)n(C)ccn23)[C@@H](C(=O)[O-])C1 ZINC001606762492 1018874272 /nfs/dbraw/zinc/87/42/72/1018874272.db2.gz ZWXASOLRQHUNQH-VHSXEESVSA-N -1 0 321.337 -0.508 20 0 DBADRM COCC(=O)N1CCCO[C@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001606771974 1018874582 /nfs/dbraw/zinc/87/45/82/1018874582.db2.gz NMAVCAATBZJPFV-SNVBAGLBSA-N -1 0 324.337 -0.728 20 0 DBADRM COCC(=O)N(C)CC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC001606771236 1018874614 /nfs/dbraw/zinc/87/46/14/1018874614.db2.gz BWCJDWJLCKQBRK-VHSXEESVSA-N -1 0 302.327 -0.818 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001606772360 1018874634 /nfs/dbraw/zinc/87/46/34/1018874634.db2.gz VHLWXMTVKABJGC-NOOOWODRSA-N -1 0 316.354 -0.485 20 0 DBADRM COCC(=O)N(C)CC(=O)NC1(C(=O)[O-])CCSCC1 ZINC001606772252 1018874696 /nfs/dbraw/zinc/87/46/96/1018874696.db2.gz PVPXUPAAHYWBNS-UHFFFAOYSA-N -1 0 304.368 -0.442 20 0 DBADRM COCC(=O)NCCC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001606774077 1018875164 /nfs/dbraw/zinc/87/51/64/1018875164.db2.gz DJZMBJSKERUYLX-GHMZBOCLSA-N -1 0 316.354 -0.475 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001606772560 1018875279 /nfs/dbraw/zinc/87/52/79/1018875279.db2.gz YDVLUEKTIUULJA-CHWFTXMASA-N -1 0 319.379 -0.194 20 0 DBADRM COCC(=O)N(C)CC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001606771525 1018875517 /nfs/dbraw/zinc/87/55/17/1018875517.db2.gz GLXZIRJHWYSHFZ-IINYFYTJSA-N -1 0 314.338 -0.959 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001606772563 1018875646 /nfs/dbraw/zinc/87/56/46/1018875646.db2.gz YDVLUEKTIUULJA-ZRUFSTJUSA-N -1 0 319.379 -0.194 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)COCc1nncn1C ZINC001606779117 1018876542 /nfs/dbraw/zinc/87/65/42/1018876542.db2.gz BOOANRQCLZZLTA-LBPRGKRZSA-N -1 0 300.315 -0.672 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)c1ccsn1 ZINC001606780886 1018876551 /nfs/dbraw/zinc/87/65/51/1018876551.db2.gz PRXQFLOSHSWSNR-UHFFFAOYSA-N -1 0 317.338 -0.623 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)CN1CCOCC1 ZINC001606779732 1018876832 /nfs/dbraw/zinc/87/68/32/1018876832.db2.gz GOPWUYMHFSCXTJ-SMDDNHRTSA-N -1 0 302.371 -0.049 20 0 DBADRM CC(C)[C@H](F)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001501815986 1018877119 /nfs/dbraw/zinc/87/71/19/1018877119.db2.gz FNXHNGZYRMPFFT-KOLCDFICSA-N -1 0 315.349 -0.179 20 0 DBADRM COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001606798731 1018877802 /nfs/dbraw/zinc/87/78/02/1018877802.db2.gz SNAMARQUIDFVHY-MISXGVKJSA-N -1 0 316.354 -0.296 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001606797170 1018878173 /nfs/dbraw/zinc/87/81/73/1018878173.db2.gz GSCOIQBPUBWQBL-NOZJJQNGSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606791543 1018878184 /nfs/dbraw/zinc/87/81/84/1018878184.db2.gz CYITZYGHWJGHAJ-ZDUSSCGKSA-N -1 0 311.294 -0.768 20 0 DBADRM COC[C@](C)(NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)C(=O)[O-] ZINC001606787872 1018878521 /nfs/dbraw/zinc/87/85/21/1018878521.db2.gz IRJUEAGPAMBABH-GWCFXTLKSA-N -1 0 310.310 -0.481 20 0 DBADRM COC[C@@](C)(NC(=O)c1cn(C2CCOCC2)nn1)C(=O)[O-] ZINC001606791608 1018878282 /nfs/dbraw/zinc/87/82/82/1018878282.db2.gz SSXDFAZNDDPWNK-CYBMUJFWSA-N -1 0 312.326 -0.151 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001606798621 1018878302 /nfs/dbraw/zinc/87/83/02/1018878302.db2.gz QYVMETIZYAZZGH-DTWKUNHWSA-N -1 0 308.356 -0.984 20 0 DBADRM COC[C@H]([C@@H]1CCCO1)N1C(=O)N[C@H](CCC(=O)[O-])C1=O ZINC001606799041 1018878341 /nfs/dbraw/zinc/87/83/41/1018878341.db2.gz AQQQMZBRPZUXPD-BBBLOLIVSA-N -1 0 300.311 -0.034 20 0 DBADRM COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001606798734 1018878711 /nfs/dbraw/zinc/87/87/11/1018878711.db2.gz SNAMARQUIDFVHY-WDMOLILDSA-N -1 0 316.354 -0.296 20 0 DBADRM COC[C@@](C)(NC(=O)c1cn(Cc2noc(C)n2)nn1)C(=O)[O-] ZINC001606791292 1018878782 /nfs/dbraw/zinc/87/87/82/1018878782.db2.gz NTOXJFIHHMHFBR-GFCCVEGCSA-N -1 0 324.297 -0.763 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)Nc1ccncc1F ZINC001606802725 1018879364 /nfs/dbraw/zinc/87/93/64/1018879364.db2.gz PUXCBHUZNFFSOU-UHFFFAOYSA-N -1 0 318.276 -0.764 20 0 DBADRM COC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001606804410 1018879439 /nfs/dbraw/zinc/87/94/39/1018879439.db2.gz INZSOUNWZPOVHF-SECBINFHSA-N -1 0 310.306 -0.245 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cccnc1Cl ZINC001606801845 1018879927 /nfs/dbraw/zinc/87/99/27/1018879927.db2.gz BJYFSIWDZNAWBB-UHFFFAOYSA-N -1 0 319.716 -0.063 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCCSC1 ZINC001606802498 1018879966 /nfs/dbraw/zinc/87/99/66/1018879966.db2.gz IIIFMZDJRDJLTN-QMMMGPOBSA-N -1 0 323.386 -0.347 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-])OC ZINC001606800183 1018880024 /nfs/dbraw/zinc/88/00/24/1018880024.db2.gz FCEZVLRXHQDZHV-ZJUUUORDSA-N -1 0 302.327 -0.770 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@]12C[C@H]1CCC2 ZINC001606802465 1018880161 /nfs/dbraw/zinc/88/01/61/1018880161.db2.gz LYMQSDLMPFLLJY-PRHODGIISA-N -1 0 303.330 -0.300 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cc(C2CC2)n[nH]1 ZINC001606801831 1018880360 /nfs/dbraw/zinc/88/03/60/1018880360.db2.gz BEXZYCBGQLHPQQ-UHFFFAOYSA-N -1 0 314.313 -0.511 20 0 DBADRM COC[C@@H](CNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)OC ZINC001606800267 1018880536 /nfs/dbraw/zinc/88/05/36/1018880536.db2.gz GTNKHLYLWLRKBC-MNOVXSKESA-N -1 0 304.343 -0.485 20 0 DBADRM COC[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)[C@@H]1CCCOC1 ZINC001606808998 1018881093 /nfs/dbraw/zinc/88/10/93/1018881093.db2.gz DUVVZOVDDIEKFD-KOLCDFICSA-N -1 0 312.326 -0.466 20 0 DBADRM COCC[C@H](NC(=O)CCCN1C(=O)CCC1=O)C(=O)[O-] ZINC001606855416 1018887525 /nfs/dbraw/zinc/88/75/25/1018887525.db2.gz VQZBQCYGMYPWPH-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM COCC1(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001606821391 1018882635 /nfs/dbraw/zinc/88/26/35/1018882635.db2.gz CLBIGOQTAHSPIE-WDEREUQCSA-N -1 0 310.350 -0.197 20 0 DBADRM COC[C@H](O)C(=O)OCCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC001606817258 1018882656 /nfs/dbraw/zinc/88/26/56/1018882656.db2.gz BIPYGTUFUIYTFO-AMAGOZFHSA-N -1 0 319.335 -0.572 20 0 DBADRM COC[C@@H](O)CCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001606820020 1018882668 /nfs/dbraw/zinc/88/26/68/1018882668.db2.gz YXWRVTCRRLNESM-VIFPVBQESA-N -1 0 304.324 -0.545 20 0 DBADRM COC[C@H](OC)C(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001606823700 1018882757 /nfs/dbraw/zinc/88/27/57/1018882757.db2.gz WWEDSQSHGQHMHV-UTLUCORTSA-N -1 0 303.311 -0.487 20 0 DBADRM COCC1(C(=O)NCC2(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)CC1 ZINC001606821709 1018882908 /nfs/dbraw/zinc/88/29/08/1018882908.db2.gz JOQWKMXHNSQSSY-UWVGGRQHSA-N -1 0 310.350 -0.101 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-] ZINC001606818191 1018883049 /nfs/dbraw/zinc/88/30/49/1018883049.db2.gz KAPFHJHRCADCSC-SCZZXKLOSA-N -1 0 319.339 -0.778 20 0 DBADRM COC[C@@H](OC(=O)c1ccc(OC)c(-n2cnnn2)c1)C(=O)[O-] ZINC001606821798 1018883242 /nfs/dbraw/zinc/88/32/42/1018883242.db2.gz VEMVFPBYHXCTKA-LLVKDONJSA-N -1 0 322.277 -0.073 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1c1nccc(S(C)(=O)=O)n1 ZINC001606834813 1018883912 /nfs/dbraw/zinc/88/39/12/1018883912.db2.gz XPAKZXWGFLULFP-LBPRGKRZSA-N -1 0 315.351 -0.050 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)Cc1ccc(C(N)=O)nc1 ZINC001606829468 1018885029 /nfs/dbraw/zinc/88/50/29/1018885029.db2.gz PEDAZYHVAFTECN-HNNXBMFYSA-N -1 0 321.333 -0.185 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cnc(N)nc1 ZINC001606834253 1018885099 /nfs/dbraw/zinc/88/50/99/1018885099.db2.gz MXEVESMOYLDNEA-LLVKDONJSA-N -1 0 316.339 -0.687 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CCc2nncn2C1 ZINC001606830091 1018885269 /nfs/dbraw/zinc/88/52/69/1018885269.db2.gz IJGJVSUKMSQVSQ-IINYFYTJSA-N -1 0 308.338 -0.067 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])cn2C)C1 ZINC001606842306 1018885760 /nfs/dbraw/zinc/88/57/60/1018885760.db2.gz FOYZOVZMFJMJMZ-UHFFFAOYSA-N -1 0 304.324 -0.895 20 0 DBADRM COC[C@]1(C)NC(=O)N(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1=O ZINC001606836369 1018886705 /nfs/dbraw/zinc/88/67/05/1018886705.db2.gz CFLJSQZDIPTJSS-ZANVPECISA-N -1 0 315.326 -0.831 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC001606847449 1018887232 /nfs/dbraw/zinc/88/72/32/1018887232.db2.gz BTGKQEIKSMQKAI-DBIOUOCHSA-N -1 0 314.338 -0.772 20 0 DBADRM COCC[C@H](NC(=O)CC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC001606854926 1018887708 /nfs/dbraw/zinc/88/77/08/1018887708.db2.gz MBISELURMDRAQU-VIFPVBQESA-N -1 0 307.368 -0.193 20 0 DBADRM COCC[C@](C)(O)CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001606852145 1018887757 /nfs/dbraw/zinc/88/77/57/1018887757.db2.gz BPUMJRSDPYASGL-JTQLQIEISA-N -1 0 324.380 -0.093 20 0 DBADRM COCC[C@@H](NC(=O)[C@@H]1COCCN1CC(F)F)C(=O)[O-] ZINC001606854719 1018887907 /nfs/dbraw/zinc/88/79/07/1018887907.db2.gz DRDSMDZQDWSXLT-BDAKNGLRSA-N -1 0 310.297 -0.442 20 0 DBADRM COC[C@@H]1CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C[C@@H](C)O1 ZINC001606848434 1018887967 /nfs/dbraw/zinc/88/79/67/1018887967.db2.gz PEYJNGHDHVLCBS-MDZLAQPJSA-N -1 0 302.371 -0.053 20 0 DBADRM COCC[C@@](C)(O)CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001606852918 1018888007 /nfs/dbraw/zinc/88/80/07/1018888007.db2.gz VSMJJISFFNWNSZ-GFCCVEGCSA-N -1 0 318.351 -0.154 20 0 DBADRM COCC[C@@](C)(O)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606852092 1018888338 /nfs/dbraw/zinc/88/83/38/1018888338.db2.gz AVCPVVNVWHCALU-IINYFYTJSA-N -1 0 316.354 -0.787 20 0 DBADRM COCC[C@H](CO)NC(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC001606856664 1018888610 /nfs/dbraw/zinc/88/86/10/1018888610.db2.gz SQPRZLKALVUDGQ-SSDOTTSWSA-N -1 0 316.335 -0.102 20 0 DBADRM COCC[C@H](NC(=O)c1cn(C2CCOCC2)nn1)C(=O)[O-] ZINC001606858935 1018889056 /nfs/dbraw/zinc/88/90/56/1018889056.db2.gz FUOYSIPCTIJZHM-JTQLQIEISA-N -1 0 312.326 -0.151 20 0 DBADRM COCC[C@@H](NC(=O)c1cc2c(cn1)nc[nH]c2=O)C(=O)[O-] ZINC001606857054 1018889117 /nfs/dbraw/zinc/88/91/17/1018889117.db2.gz QNLHFGZRQFDGIW-MRVPVSSYSA-N -1 0 306.278 -0.050 20 0 DBADRM COCCCC(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1O ZINC001606864460 1018889627 /nfs/dbraw/zinc/88/96/27/1018889627.db2.gz SFSMNLDZMMSMAE-GHMZBOCLSA-N -1 0 324.337 -0.733 20 0 DBADRM COCC[C@@H](NC(=O)CNC(=O)OCC(F)(F)F)C(=O)[O-] ZINC001606858357 1018889637 /nfs/dbraw/zinc/88/96/37/1018889637.db2.gz JVJOJCBJVKJDTH-ZCFIWIBFSA-N -1 0 316.232 -0.119 20 0 DBADRM COCC[C@@H](CO)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001606856647 1018889739 /nfs/dbraw/zinc/88/97/39/1018889739.db2.gz SGXGDWWBSOWLFI-VIFPVBQESA-N -1 0 304.324 -0.545 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1C)C(N)=O ZINC001606863250 1018889777 /nfs/dbraw/zinc/88/97/77/1018889777.db2.gz WYDOIZRSOHUPQS-ZETCQYMHSA-N -1 0 320.323 -0.545 20 0 DBADRM COCCN(C)C(=O)C(=O)NCc1ncc(C(=O)[O-])s1 ZINC001606879248 1018890252 /nfs/dbraw/zinc/89/02/52/1018890252.db2.gz WXHDXHZXJGJMHG-UHFFFAOYSA-N -1 0 301.324 -0.438 20 0 DBADRM COCCCNC(=O)CN1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001606869972 1018890977 /nfs/dbraw/zinc/89/09/77/1018890977.db2.gz PZXFLJZNPBOLNH-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCCOCCC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001606872562 1018891424 /nfs/dbraw/zinc/89/14/24/1018891424.db2.gz OBCZKIDULSXLAM-MNOVXSKESA-N -1 0 317.338 -0.238 20 0 DBADRM COCCNC(=O)CNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001606894457 1018891636 /nfs/dbraw/zinc/89/16/36/1018891636.db2.gz BLSZGOUJSIYUGC-NXEZZACHSA-N -1 0 322.383 -0.688 20 0 DBADRM COCCNC(=O)CN1CCN(c2ncncc2C(=O)[O-])CC1 ZINC001606894476 1018891932 /nfs/dbraw/zinc/89/19/32/1018891932.db2.gz CAXVXTTYLUMFOG-UHFFFAOYSA-N -1 0 323.353 -0.941 20 0 DBADRM COCCN1CN(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CC1=O ZINC001606894785 1018892082 /nfs/dbraw/zinc/89/20/82/1018892082.db2.gz IJPXGXWKSCKDOO-LLVKDONJSA-N -1 0 313.354 -0.055 20 0 DBADRM COCCN1CCN(C(=O)Nc2c(C(=O)[O-])cnn2C)CC1 ZINC001606894369 1018892127 /nfs/dbraw/zinc/89/21/27/1018892127.db2.gz BJIAQHARTLFGER-UHFFFAOYSA-N -1 0 311.342 -0.086 20 0 DBADRM COCCNC(=O)CN1CCN(c2cc(C(=O)[O-])ncn2)CC1 ZINC001606894580 1018892359 /nfs/dbraw/zinc/89/23/59/1018892359.db2.gz DTPSXFGEJBAQAK-UHFFFAOYSA-N -1 0 323.353 -0.941 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1nnn(-c2ccn(C)n2)c1C ZINC001606881610 1018892586 /nfs/dbraw/zinc/89/25/86/1018892586.db2.gz GBDQNPOWQVCHPP-UHFFFAOYSA-N -1 0 322.325 -0.518 20 0 DBADRM COCCN(CCC(=O)[O-])CC(=O)NCC(=O)N1CCCC1 ZINC001606886818 1018893091 /nfs/dbraw/zinc/89/30/91/1018893091.db2.gz BTOJGIVOSLTQPI-UHFFFAOYSA-N -1 0 315.370 -0.852 20 0 DBADRM COCCOCCC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001606903570 1018894073 /nfs/dbraw/zinc/89/40/73/1018894073.db2.gz OTCJYMSRYYYTDI-GHMZBOCLSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCO[C@H]1COCC[C@H]1NC(=O)NC[C@H](F)C(=O)[O-] ZINC001606900532 1018894133 /nfs/dbraw/zinc/89/41/33/1018894133.db2.gz JSYGUUNZHKCSNV-AEJSXWLSSA-N -1 0 308.306 -0.471 20 0 DBADRM COCCOCC(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001606901249 1018894270 /nfs/dbraw/zinc/89/42/70/1018894270.db2.gz VOARGVIPCSMXSM-WDEREUQCSA-N -1 0 314.338 -0.961 20 0 DBADRM COCCOCCC(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001606903470 1018894296 /nfs/dbraw/zinc/89/42/96/1018894296.db2.gz MRKYOZNUZRKHHG-GHMZBOCLSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCO[C@@H]1CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1 ZINC001606901656 1018894403 /nfs/dbraw/zinc/89/44/03/1018894403.db2.gz PEQNBEXHOAENNS-YPMHNXCESA-N -1 0 302.371 -0.051 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCSC[C@H]1C(=O)[O-] ZINC001606920635 1018895511 /nfs/dbraw/zinc/89/55/11/1018895511.db2.gz ZJQYWNLSKGDVFS-QMMMGPOBSA-N -1 0 311.381 -0.924 20 0 DBADRM COCCOCCS(=O)(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001606906351 1018895674 /nfs/dbraw/zinc/89/56/74/1018895674.db2.gz DNRCDCZMVLOINK-YUMQZZPRSA-N -1 0 317.310 -0.465 20 0 DBADRM COCCOCCS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001606907060 1018895747 /nfs/dbraw/zinc/89/57/47/1018895747.db2.gz YREYBXFTGBXCFT-SNVBAGLBSA-N -1 0 311.356 -0.845 20 0 DBADRM COCCc1nnc(SCc2cnc(C(=O)[O-])cn2)n1N ZINC001606922962 1018895884 /nfs/dbraw/zinc/89/58/84/1018895884.db2.gz DVIVZOQWEXGJKU-UHFFFAOYSA-N -1 0 310.339 -0.039 20 0 DBADRM COCCS(=O)(=O)CC(=O)OCc1oncc1C(=O)[O-] ZINC001606920082 1018895912 /nfs/dbraw/zinc/89/59/12/1018895912.db2.gz UZXJXTKVAUDOAB-UHFFFAOYSA-N -1 0 307.280 -0.523 20 0 DBADRM COCCc1noc(CN(C)[C@@H](C)C(=O)NCC(=O)[O-])n1 ZINC001606922965 1018896078 /nfs/dbraw/zinc/89/60/78/1018896078.db2.gz FCQPHZUPAZRSMU-QMMMGPOBSA-N -1 0 300.315 -0.720 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001606920577 1018896149 /nfs/dbraw/zinc/89/61/49/1018896149.db2.gz XUMZSKYXMIGONN-VHSXEESVSA-N -1 0 307.368 -0.193 20 0 DBADRM COCCn1cc(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])cn1 ZINC001606931670 1018896942 /nfs/dbraw/zinc/89/69/42/1018896942.db2.gz OMYVNIQVDKFAPO-SECBINFHSA-N -1 0 305.356 -0.330 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1CC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001606937712 1018897142 /nfs/dbraw/zinc/89/71/42/1018897142.db2.gz HTCKUSFLMLCFPU-TUAOUCFPSA-N -1 0 302.371 -0.317 20 0 DBADRM COCCn1cc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])nn1 ZINC001606929552 1018897372 /nfs/dbraw/zinc/89/73/72/1018897372.db2.gz SIHHUUPYWVXBQS-UWVGGRQHSA-N -1 0 312.326 -0.323 20 0 DBADRM COCc1cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)no1 ZINC001606940005 1018897858 /nfs/dbraw/zinc/89/78/58/1018897858.db2.gz VUIXKXXZURJKAO-DTWKUNHWSA-N -1 0 312.278 -0.233 20 0 DBADRM COCc1cc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)ncn1 ZINC001606967052 1018898278 /nfs/dbraw/zinc/89/82/78/1018898278.db2.gz PVUQXDCLYCARJD-SCZZXKLOSA-N -1 0 310.310 -0.078 20 0 DBADRM COCc1cc(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)ncn1 ZINC001606966708 1018898575 /nfs/dbraw/zinc/89/85/75/1018898575.db2.gz PVUQXDCLYCARJD-PSASIEDQSA-N -1 0 310.310 -0.078 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001606939076 1018898705 /nfs/dbraw/zinc/89/87/05/1018898705.db2.gz OSZYIINMFZSCOK-VXGBXAGGSA-N -1 0 322.317 -0.069 20 0 DBADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC001606957537 1018899132 /nfs/dbraw/zinc/89/91/32/1018899132.db2.gz GXNNMDYRAXWVGT-QMMMGPOBSA-N -1 0 309.307 -0.286 20 0 DBADRM COCc1cc(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)ncn1 ZINC001606967054 1018899230 /nfs/dbraw/zinc/89/92/30/1018899230.db2.gz PVUQXDCLYCARJD-WPRPVWTQSA-N -1 0 310.310 -0.078 20 0 DBADRM COCc1ccccc1S(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001606968549 1018899386 /nfs/dbraw/zinc/89/93/86/1018899386.db2.gz KAZJHKSLIDXCSL-UHFFFAOYSA-N -1 0 301.320 -0.347 20 0 DBADRM CON(C(=O)C1=NN(CCO)C(=O)CC1)[C@@H](C)CC(=O)[O-] ZINC001606984523 1018900928 /nfs/dbraw/zinc/90/09/28/1018900928.db2.gz LFULXYSKNXZPCH-QMMMGPOBSA-N -1 0 301.299 -0.790 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001606990201 1018901898 /nfs/dbraw/zinc/90/18/98/1018901898.db2.gz PCRCRCIVXHCUOU-KXUCPTDWSA-N -1 0 302.327 -0.077 20 0 DBADRM COCc1nocc1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001606981266 1018901744 /nfs/dbraw/zinc/90/17/44/1018901744.db2.gz HBRSPHNPNPSQST-UHFFFAOYSA-N -1 0 307.266 -0.192 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001606989706 1018902460 /nfs/dbraw/zinc/90/24/60/1018902460.db2.gz CBNVGVXTMRKXFD-BDAKNGLRSA-N -1 0 303.315 -0.720 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001606999138 1018904037 /nfs/dbraw/zinc/90/40/37/1018904037.db2.gz HGPJCTOQXFLYKG-BREBYQMCSA-N -1 0 302.327 -0.325 20 0 DBADRM CO[C@@H](C)CNC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001606997590 1018904202 /nfs/dbraw/zinc/90/42/02/1018904202.db2.gz HZHPEAQRNVTMGI-QWRGUYRKSA-N -1 0 315.370 -0.855 20 0 DBADRM CO[C@@H](C)CNC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001606997593 1018904937 /nfs/dbraw/zinc/90/49/37/1018904937.db2.gz IEFJUAAXMQOSKC-FZMZJTMJSA-N -1 0 315.370 -0.408 20 0 DBADRM CO[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001606999793 1018905479 /nfs/dbraw/zinc/90/54/79/1018905479.db2.gz FYPXRLRSIDVZMT-AEJSXWLSSA-N -1 0 323.367 -0.311 20 0 DBADRM COc1c(C(=O)[O-])ncnc1N1CCN(c2nncn2C)CC1 ZINC001607011529 1018908369 /nfs/dbraw/zinc/90/83/69/1018908369.db2.gz LRQLCRHXIFMFFG-UHFFFAOYSA-N -1 0 319.325 -0.362 20 0 DBADRM COc1c(NC(=O)C(=O)N(C)CC(N)=O)cccc1C(=O)[O-] ZINC001607024884 1018910664 /nfs/dbraw/zinc/91/06/64/1018910664.db2.gz YERZMZWSCUQYDN-UHFFFAOYSA-N -1 0 309.278 -0.724 20 0 DBADRM O=S(=O)(NCC[C@H]1CCOC1)c1cccnc1-c1nnn[n-]1 ZINC001607066421 1018940551 /nfs/dbraw/zinc/94/05/51/1018940551.db2.gz UJNMCGHMLZDIAX-VIFPVBQESA-N -1 0 324.366 -0.033 20 0 DBADRM COc1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)on1 ZINC001607068430 1018942116 /nfs/dbraw/zinc/94/21/16/1018942116.db2.gz VHPGNWCEWYFEEB-BDAKNGLRSA-N -1 0 323.305 -0.313 20 0 DBADRM COc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)ncn1 ZINC001607068438 1018947025 /nfs/dbraw/zinc/94/70/25/1018947025.db2.gz VODKHCRLLBTAGH-DTWKUNHWSA-N -1 0 320.305 -0.854 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1C[C@@H]2C[C@]2(CO)C1 ZINC001607074877 1018952559 /nfs/dbraw/zinc/95/25/59/1018952559.db2.gz RCOFOCMJXIQPJM-QPUJVOFHSA-N -1 0 322.350 -0.735 20 0 DBADRM COc1cc(C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])ncn1 ZINC001607076423 1018954232 /nfs/dbraw/zinc/95/42/32/1018954232.db2.gz WXPHMZPKGJEEHV-ZDUSSCGKSA-N -1 0 305.294 -0.045 20 0 DBADRM O=c1c(-c2nnn[n-]2)cc(CN2CCOCC2)cn1CCCO ZINC001607089280 1018957296 /nfs/dbraw/zinc/95/72/96/1018957296.db2.gz MYYUICCMRKRPSO-UHFFFAOYSA-N -1 0 320.353 -0.757 20 0 DBADRM O=c1cc(-c2nnn[n-]2)ncn1C[C@H](O)CCC1(O)CCC1 ZINC001607090728 1018957915 /nfs/dbraw/zinc/95/79/15/1018957915.db2.gz WVMOICYQIKZGKN-SECBINFHSA-N -1 0 306.326 -0.521 20 0 DBADRM COc1cc(CO)ccc1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC001607165415 1018980149 /nfs/dbraw/zinc/98/01/49/1018980149.db2.gz ZDZZEHQWISAEMH-QMMMGPOBSA-N -1 0 311.290 -0.066 20 0 DBADRM COc1ccc(C=O)cc1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001607242210 1018980187 /nfs/dbraw/zinc/98/01/87/1018980187.db2.gz BISUFKNRKFMKBD-NSHDSACASA-N -1 0 320.301 -0.125 20 0 DBADRM COc1ccc(C(=O)N2CC(O)(C(=O)[O-])C2)c(OC)c1OC ZINC001607202395 1018980232 /nfs/dbraw/zinc/98/02/32/1018980232.db2.gz INPAQYQZXVKSLK-UHFFFAOYSA-N -1 0 311.290 -0.016 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)ncn1 ZINC001607170643 1018980699 /nfs/dbraw/zinc/98/06/99/1018980699.db2.gz GVGMHANAUCBIAZ-HTQZYQBOSA-N -1 0 308.294 -0.255 20 0 DBADRM COc1cc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)[nH]n1 ZINC001607171577 1018981282 /nfs/dbraw/zinc/98/12/82/1018981282.db2.gz RSOVGEZOTJPBNT-RQJHMYQMSA-N -1 0 312.282 -0.943 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)[nH]n1 ZINC001607174027 1018981506 /nfs/dbraw/zinc/98/15/06/1018981506.db2.gz WABJUSZENHQQNT-MRVPVSSYSA-N -1 0 310.310 -0.026 20 0 DBADRM COc1cc(C=O)ccc1OCC(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001607153128 1018981609 /nfs/dbraw/zinc/98/16/09/1018981609.db2.gz IVUJXDZTWJYCFT-AVCCJPFPSA-N -1 0 323.301 -0.019 20 0 DBADRM COc1cc(OC)cc(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001607186895 1018981651 /nfs/dbraw/zinc/98/16/51/1018981651.db2.gz WRKFOFCRKVVJFD-UHFFFAOYSA-N -1 0 317.319 -0.476 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cn1 ZINC001607270863 1018983263 /nfs/dbraw/zinc/98/32/63/1018983263.db2.gz UBKINXPRIPWMCH-SCZZXKLOSA-N -1 0 323.305 -0.677 20 0 DBADRM COc1ccc(CN2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001607253589 1018984047 /nfs/dbraw/zinc/98/40/47/1018984047.db2.gz VVSKGDWGLHAJGL-GHMZBOCLSA-N -1 0 306.322 -0.494 20 0 DBADRM COc1ccc(NC(=O)C(=O)NCCOCC(=O)[O-])cc1F ZINC001607270884 1018984157 /nfs/dbraw/zinc/98/41/57/1018984157.db2.gz NLSQTKUXUXRLFM-UHFFFAOYSA-N -1 0 314.269 -0.010 20 0 DBADRM COc1ccc(NC(=O)CN2CCNC(=O)C2)c(C(=O)[O-])c1 ZINC001607270663 1018984961 /nfs/dbraw/zinc/98/49/61/1018984961.db2.gz HVVDOSUBPSSKRP-UHFFFAOYSA-N -1 0 307.306 -0.236 20 0 DBADRM COc1cccc(CC(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])n1 ZINC001607317535 1018985507 /nfs/dbraw/zinc/98/55/07/1018985507.db2.gz QEXDDXNPGNNFSG-JTQLQIEISA-N -1 0 307.306 -0.614 20 0 DBADRM COc1cccc([C@H](O)C(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC001607312777 1018985181 /nfs/dbraw/zinc/98/51/81/1018985181.db2.gz JEBHELVCGZKJER-AWEZNQCLSA-N -1 0 308.334 -0.043 20 0 DBADRM COc1ccc(COCC(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)cn1 ZINC001607260934 1018985289 /nfs/dbraw/zinc/98/52/89/1018985289.db2.gz YKVOQKSHIQMHOG-WJONMLJTSA-N -1 0 310.306 -0.299 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)nc1 ZINC001607353131 1018986683 /nfs/dbraw/zinc/98/66/83/1018986683.db2.gz IQODGQSVFBKWDJ-CYBMUJFWSA-N -1 0 308.294 -0.253 20 0 DBADRM COc1cncc(NC(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)n1 ZINC001607355506 1018986943 /nfs/dbraw/zinc/98/69/43/1018986943.db2.gz CBRFSRYQCBPAEN-QMMMGPOBSA-N -1 0 306.278 -0.287 20 0 DBADRM COc1ccnc(NCCN(CCO)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001607350650 1018987453 /nfs/dbraw/zinc/98/74/53/1018987453.db2.gz BYDLWRVFSXFMCA-ZJUUUORDSA-N -1 0 324.337 -0.561 20 0 DBADRM COc1cnc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c(F)c1 ZINC001607354410 1018988074 /nfs/dbraw/zinc/98/80/74/1018988074.db2.gz KUQWLDYQLBBODI-BQBZGAKWSA-N -1 0 313.285 -0.063 20 0 DBADRM COc1coc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cc1=O ZINC001607356011 1018988197 /nfs/dbraw/zinc/98/81/97/1018988197.db2.gz XXHBSVVLNUFOBQ-UHFFFAOYSA-N -1 0 323.261 -0.276 20 0 DBADRM COc1ncccc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607360893 1018989384 /nfs/dbraw/zinc/98/93/84/1018989384.db2.gz MCFJCELRDWJUJB-GHMZBOCLSA-N -1 0 319.317 -0.249 20 0 DBADRM CS(=O)(=O)C1CCC(C(=O)N2CCOC[C@@H]2C(=O)[O-])CC1 ZINC001607366236 1018989663 /nfs/dbraw/zinc/98/96/63/1018989663.db2.gz FHNZOTJYGPYDCQ-VQXHTEKXSA-N -1 0 319.379 -0.098 20 0 DBADRM COc1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001607359776 1018990573 /nfs/dbraw/zinc/99/05/73/1018990573.db2.gz NMHRECWIXLTYOD-NXEZZACHSA-N -1 0 320.305 -0.854 20 0 DBADRM COc1ncc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])cn1 ZINC001607359709 1018990774 /nfs/dbraw/zinc/99/07/74/1018990774.db2.gz LDXPCXRMMVJVMU-VIFPVBQESA-N -1 0 311.294 -0.179 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CCC(C(=O)[O-])CC2)CCOCC1 ZINC001607365908 1018991233 /nfs/dbraw/zinc/99/12/33/1018991233.db2.gz ZIBGKWWDYRHOHN-UHFFFAOYSA-N -1 0 319.379 -0.097 20 0 DBADRM COc1ncc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001607359937 1018991904 /nfs/dbraw/zinc/99/19/04/1018991904.db2.gz VMPZRLGBAUGMDB-NXEZZACHSA-N -1 0 320.305 -0.854 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(C(=O)c2cc(C(=O)[O-])no2)CCO1 ZINC001607369606 1018992605 /nfs/dbraw/zinc/99/26/05/1018992605.db2.gz JRAMUUVGLUOCRI-SSDOTTSWSA-N -1 0 318.307 -0.742 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001607370992 1018993003 /nfs/dbraw/zinc/99/30/03/1018993003.db2.gz ZDDDJHQPTOCAAO-IUCAKERBSA-N -1 0 313.397 -0.406 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NCc1ccoc1C(=O)[O-] ZINC001607370957 1018993100 /nfs/dbraw/zinc/99/31/00/1018993100.db2.gz XVJVWSDLNHCWTK-UHFFFAOYSA-N -1 0 311.337 -0.558 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)NC2(C(=O)[O-])CC2)n1 ZINC001607369838 1018993250 /nfs/dbraw/zinc/99/32/50/1018993250.db2.gz DYXHUTPLUIFVFU-UHFFFAOYSA-N -1 0 316.339 -0.334 20 0 DBADRM CS(=O)(=O)CCCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001607368881 1018994258 /nfs/dbraw/zinc/99/42/58/1018994258.db2.gz WSHGJISZDYWLBO-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(CCc2cn(CC(=O)[O-])nn2)C1 ZINC001607367269 1018994690 /nfs/dbraw/zinc/99/46/90/1018994690.db2.gz LSWWDOLCMJEZNX-LLVKDONJSA-N -1 0 316.383 -0.586 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607374874 1018995651 /nfs/dbraw/zinc/99/56/51/1018995651.db2.gz LALVCMRXAYQGBM-OPRDCNLKSA-N -1 0 319.383 -0.570 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001607373232 1018995801 /nfs/dbraw/zinc/99/58/01/1018995801.db2.gz PCUCWXGARLVRQK-UHEGKEBESA-N -1 0 316.379 -0.361 20 0 DBADRM CS(=O)(=O)NCCC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001607374036 1018996156 /nfs/dbraw/zinc/99/61/56/1018996156.db2.gz OCZAUMRXPDNDCI-UHFFFAOYSA-N -1 0 314.363 -0.131 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001607375109 1018996442 /nfs/dbraw/zinc/99/64/42/1018996442.db2.gz PAXXIZPJEJJMKN-SECBINFHSA-N -1 0 313.335 -0.457 20 0 DBADRM CS(=O)(=O)NC[C@@H]1COCCN1Cc1occc1C(=O)[O-] ZINC001607374046 1018996680 /nfs/dbraw/zinc/99/66/80/1018996680.db2.gz OTSRIQSPGUQEGD-SECBINFHSA-N -1 0 318.351 -0.272 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607373385 1018997691 /nfs/dbraw/zinc/99/76/91/1018997691.db2.gz VTPPMVXXOOSLDK-OPRDCNLKSA-N -1 0 319.383 -0.712 20 0 DBADRM C[S@](=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC001607383967 1018998662 /nfs/dbraw/zinc/99/86/62/1018998662.db2.gz LRAVRPGVRRRYLO-SAHAZLINSA-N -1 0 324.358 -0.161 20 0 DBADRM C[S@@](=O)C1(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CCC1 ZINC001607384141 1018998677 /nfs/dbraw/zinc/99/86/77/1018998677.db2.gz BJTJAZNLZWAQNZ-LJQANCHMSA-N -1 0 321.380 -0.313 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NCC[C@H](O)C(=O)[O-])s1 ZINC001607379320 1018998892 /nfs/dbraw/zinc/99/88/92/1018998892.db2.gz CHDUIAURVIJFIZ-LURJTMIESA-N -1 0 307.349 -0.283 20 0 DBADRM C[S@@](=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC001607383963 1018999072 /nfs/dbraw/zinc/99/90/72/1018999072.db2.gz LRAVRPGVRRRYLO-KPWVOAKYSA-N -1 0 324.358 -0.161 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001607384681 1018999149 /nfs/dbraw/zinc/99/91/49/1018999149.db2.gz JMVAUXCASUMPIJ-OAQYLSRUSA-N -1 0 312.347 -0.253 20 0 DBADRM C[S@@](=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC001607383965 1019000306 /nfs/dbraw/zinc/00/03/06/1019000306.db2.gz LRAVRPGVRRRYLO-RKFFSXRUSA-N -1 0 324.358 -0.161 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C1(C(=O)[O-])CC1 ZINC001607375833 1019000406 /nfs/dbraw/zinc/00/04/06/1019000406.db2.gz ZXSWXCGCLWSXHN-IUCAKERBSA-N -1 0 304.368 -0.315 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)Nc1ccncn1)C(=O)[O-] ZINC001607377357 1019000451 /nfs/dbraw/zinc/00/04/51/1019000451.db2.gz KMOVXDVDVJNBGJ-WRWORJQWSA-N -1 0 314.323 -0.514 20 0 DBADRM CSCC[C@H](O)C(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001607396456 1019001071 /nfs/dbraw/zinc/00/10/71/1019001071.db2.gz FNXPDSNGMKONAS-BDAKNGLRSA-N -1 0 307.368 -0.177 20 0 DBADRM CS[C@@H]1CC[C@H](NC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001607392442 1019001465 /nfs/dbraw/zinc/00/14/65/1019001465.db2.gz XEVMJLDFYRUUGR-JGVFFNPUSA-N -1 0 302.352 -0.955 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001607385423 1019002269 /nfs/dbraw/zinc/00/22/69/1019002269.db2.gz QULTVWGYWHRQMW-OAQYLSRUSA-N -1 0 318.395 -0.416 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)CO[C@H]1CCOC1 ZINC001607418862 1019004692 /nfs/dbraw/zinc/00/46/92/1019004692.db2.gz NEUXLYDGKQHSKS-ONGXEEELSA-N -1 0 324.337 -0.103 20 0 DBADRM CSCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)C(N)=O ZINC001607399603 1019005123 /nfs/dbraw/zinc/00/51/23/1019005123.db2.gz MVIWFWBDUYXBBH-ZETCQYMHSA-N -1 0 322.364 -0.137 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)C(=O)NCC1CC1 ZINC001607419369 1019006015 /nfs/dbraw/zinc/00/60/15/1019006015.db2.gz XWUPSQAPPDSNGN-QMMMGPOBSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC3(COC3)C2)C[C@H]1CC(=O)[O-] ZINC001607428219 1019006336 /nfs/dbraw/zinc/00/63/36/1019006336.db2.gz FRGMKDRWUIUWLZ-GHMZBOCLSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](O)CC2)C[C@H]1CC(=O)[O-] ZINC001607427509 1019007088 /nfs/dbraw/zinc/00/70/88/1019007088.db2.gz ASVIXWOTAXCMEI-DDHJBXDOSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1F)C(=O)[O-] ZINC001607424737 1019007370 /nfs/dbraw/zinc/00/73/70/1019007370.db2.gz JIRZTWHWNABLRR-LDWIPMOCSA-N -1 0 319.310 -0.207 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C[C@H]1CC(=O)[O-] ZINC001607428456 1019007385 /nfs/dbraw/zinc/00/73/85/1019007385.db2.gz KMHHLCUDQKEBTA-MLGHIDQZSA-N -1 0 324.377 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CF)C2)C[C@@H](C(=O)[O-])O1 ZINC001607428333 1019007637 /nfs/dbraw/zinc/00/76/37/1019007637.db2.gz IFKNSALNECJFLK-MXWKQRLJSA-N -1 0 316.329 -0.105 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCS2)C[C@@H](C(=O)[O-])O1 ZINC001607427757 1019008105 /nfs/dbraw/zinc/00/81/05/1019008105.db2.gz ATXQVFSWSYHHEL-UTLUCORTSA-N -1 0 316.379 -0.301 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cnc2c(cnn2C)c1)C(=O)[O-] ZINC001607425547 1019008281 /nfs/dbraw/zinc/00/82/81/1019008281.db2.gz NVWFOUQCGAOGMH-MUWHJKNJSA-N -1 0 314.323 -0.919 20 0 DBADRM C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CCNc1ncc(C(=O)[O-])cn1 ZINC001607430432 1019008777 /nfs/dbraw/zinc/00/87/77/1019008777.db2.gz XZZAVRYYVDMMMN-RKDXNWHRSA-N -1 0 321.337 -0.443 20 0 DBADRM C[C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@H]1C(=O)[O-] ZINC001607430526 1019008887 /nfs/dbraw/zinc/00/88/87/1019008887.db2.gz GUTIKLRSHRJNMV-LNLATYFQSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@]23CCC(=O)N2CCS3)C[C@@H](C(=O)[O-])O1 ZINC001607430191 1019009126 /nfs/dbraw/zinc/00/91/26/1019009126.db2.gz RZRNAAMENPSYIJ-ZDMBXUJBSA-N -1 0 314.363 -0.248 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC([C@@H]3CCOC3)C2)C[C@H]1C(=O)[O-] ZINC001607429084 1019009247 /nfs/dbraw/zinc/00/92/47/1019009247.db2.gz VMGNQKUIDMFQNU-CKYFFXLPSA-N -1 0 310.350 -0.340 20 0 DBADRM C[C@@H]1CN(C(=O)Cc2ccc(C(=O)[O-])nc2)CCS1(=O)=O ZINC001607431896 1019009399 /nfs/dbraw/zinc/00/93/99/1019009399.db2.gz YFUVAJSJPJBTPH-SECBINFHSA-N -1 0 312.347 -0.032 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCCC3)C[C@H]1C(=O)[O-] ZINC001607431635 1019009439 /nfs/dbraw/zinc/00/94/39/1019009439.db2.gz IVYPYQSICPCLRW-GHMZBOCLSA-N -1 0 322.365 -0.050 20 0 DBADRM C[C@@H]1CN(C(=O)/C=C2\SCC(=O)N2C)C[C@@H](C(=O)[O-])O1 ZINC001607430512 1019010345 /nfs/dbraw/zinc/01/03/45/1019010345.db2.gz DWPFMAQLQGZQKX-RFVWCVAVSA-N -1 0 300.336 -0.267 20 0 DBADRM C[C@@H]1CN(c2nnnn2[C@H]2CC(=O)N(C3CC3)C2)C[C@H]1C(=O)[O-] ZINC001607440652 1019011569 /nfs/dbraw/zinc/01/15/69/1019011569.db2.gz JKECJIPZGXPIRU-DVVUODLYSA-N -1 0 320.353 -0.234 20 0 DBADRM C[C@@H]1CN(c2nnc([C@]3(C)C[C@H](O)CN3C)n2C)C[C@H]1C(=O)[O-] ZINC001607440112 1019012229 /nfs/dbraw/zinc/01/22/29/1019012229.db2.gz BMWTWWSCQRFFQA-RSQPEXBXSA-N -1 0 323.397 -0.116 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCS(=O)(=O)C2CC2)O[C@H]1C(=O)[O-] ZINC001607442740 1019013333 /nfs/dbraw/zinc/01/33/33/1019013333.db2.gz MVZCOKHLLZCPTI-SZEHBUNVSA-N -1 0 305.352 -0.442 20 0 DBADRM C[C@@H]1CN(c2nnnn2[C@@H]2C[C@@H]3CC[C@H]2O3)C[C@@H](C(=O)[O-])O1 ZINC001607441846 1019013348 /nfs/dbraw/zinc/01/33/48/1019013348.db2.gz XAHXZUBBTROBEK-QGKZMRNZSA-N -1 0 309.326 -0.156 20 0 DBADRM C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001607440633 1019013353 /nfs/dbraw/zinc/01/33/53/1019013353.db2.gz YIXVBYWEPSHIOF-OOCWMUITSA-N -1 0 310.350 -0.151 20 0 DBADRM C[C@@H]1CN(Cc2oncc2C(=O)[O-])CCN1S(C)(=O)=O ZINC001607438939 1019014005 /nfs/dbraw/zinc/01/40/05/1019014005.db2.gz KNDMALUFPUXWPC-MRVPVSSYSA-N -1 0 303.340 -0.162 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)C1(C)COC(C)(C)OC1)C(=O)[O-] ZINC001607457289 1019014360 /nfs/dbraw/zinc/01/43/60/1019014360.db2.gz WERJOHNFLKPTHE-IUCAKERBSA-N -1 0 316.354 -0.130 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H]1CO[C@@H](C2CC2)C1)C(=O)[O-] ZINC001607458402 1019015748 /nfs/dbraw/zinc/01/57/48/1019015748.db2.gz GBHSWOXBPAQAOK-OINDSLJFSA-N -1 0 313.354 -0.169 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCc2c[nH]nc2C1)C(=O)[O-] ZINC001607459136 1019016182 /nfs/dbraw/zinc/01/61/82/1019016182.db2.gz WLTFMHHXLZLDQD-XHNCKOQMSA-N -1 0 308.338 -0.391 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001607453425 1019016225 /nfs/dbraw/zinc/01/62/25/1019016225.db2.gz DKMXNAFDNIYMSS-VXNVDRBHSA-N -1 0 322.325 -0.885 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1cncnc1 ZINC001607453853 1019016526 /nfs/dbraw/zinc/01/65/26/1019016526.db2.gz LGUVEROJCFPZHZ-MRVPVSSYSA-N -1 0 302.294 -0.383 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)Cc1cnoc1 ZINC001607453908 1019016720 /nfs/dbraw/zinc/01/67/20/1019016720.db2.gz OGNZGTWCGJMDFN-MRVPVSSYSA-N -1 0 305.294 -0.256 20 0 DBADRM C[C@H](NC(N)=O)C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1[C@@H]1CCCO1 ZINC001607460942 1019017490 /nfs/dbraw/zinc/01/74/90/1019017490.db2.gz KEEOFOFXSNGIQR-MMWGEVLESA-N -1 0 313.354 -0.086 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cn(C(C)(C)C)nn1)C(=O)[O-] ZINC001607459688 1019017627 /nfs/dbraw/zinc/01/76/27/1019017627.db2.gz HBTFKROANXIJLV-YUMQZZPRSA-N -1 0 311.342 -0.259 20 0 DBADRM C[C@H](NC(N)=O)C(=O)NCCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001607461080 1019017690 /nfs/dbraw/zinc/01/76/90/1019017690.db2.gz OHBRGIJWLXIDJF-QMMMGPOBSA-N -1 0 324.341 -0.826 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)Nc2nn(C)cc2C(=O)[O-])CC1 ZINC001607461917 1019017996 /nfs/dbraw/zinc/01/79/96/1019017996.db2.gz AJOFVHGIXVXMJX-VIFPVBQESA-N -1 0 311.342 -0.351 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]cn2)C[C@]1(C)C(=O)[O-] ZINC001607467015 1019018200 /nfs/dbraw/zinc/01/82/00/1019018200.db2.gz QCNBDYYNKNEQNK-XPTSAGLGSA-N -1 0 308.338 -0.063 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@](F)(CO)C2)CC[C@H]1C(=O)[O-] ZINC001607466674 1019018871 /nfs/dbraw/zinc/01/88/71/1019018871.db2.gz JJGYDLTWTBXBQR-RBZYPMLTSA-N -1 0 316.329 -0.512 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@@]2(C)CO)C[C@]1(C)C(=O)[O-] ZINC001607466398 1019019353 /nfs/dbraw/zinc/01/93/53/1019019353.db2.gz GGMNQEPRPJNXCL-LKTVYLICSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CCC[C@H]32)C[C@@H](C(=O)[O-])O1 ZINC001607467582 1019020023 /nfs/dbraw/zinc/02/00/23/1019020023.db2.gz AZLFSGKXVAZFSN-KQSJRHEJSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@H]1CN(C(=O)CCCCCNC(N)=O)C[C@@H](C(=O)[O-])O1 ZINC001607468617 1019020222 /nfs/dbraw/zinc/02/02/22/1019020222.db2.gz HJOXTDGSLAYTKL-UWVGGRQHSA-N -1 0 301.343 -0.084 20 0 DBADRM C[C@H]1CN(C(=O)NCCOC[C@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001607469466 1019021045 /nfs/dbraw/zinc/02/10/45/1019021045.db2.gz ANGLFBHSPXAHJG-SRVKXCTJSA-N -1 0 316.354 -0.077 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@]1(C)C(=O)[O-] ZINC001607467442 1019021450 /nfs/dbraw/zinc/02/14/50/1019021450.db2.gz ZOJKNFMZGZGIOA-GSURGFDJSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@H]1CN(c2nnnn2C[C@]2(C)CCCO2)C[C@@H](C(=O)[O-])O1 ZINC001607479609 1019021804 /nfs/dbraw/zinc/02/18/04/1019021804.db2.gz SVBXNNGYLXPGQF-KWBADKCTSA-N -1 0 311.342 -0.080 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)O[C@H]1C(=O)[O-] ZINC001607479513 1019022039 /nfs/dbraw/zinc/02/20/39/1019022039.db2.gz OORVQUSGACLHKO-JDDHQFAOSA-N -1 0 305.352 -0.586 20 0 DBADRM Cc1[nH]ccc1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001607499568 1019023277 /nfs/dbraw/zinc/02/32/77/1019023277.db2.gz OQGMBMUTARLZJD-NEPJUHHUSA-N -1 0 323.349 -0.405 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607483709 1019023806 /nfs/dbraw/zinc/02/38/06/1019023806.db2.gz GUDGWGGUNFJCRS-DTWKUNHWSA-N -1 0 322.321 -0.667 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607483882 1019024134 /nfs/dbraw/zinc/02/41/34/1019024134.db2.gz ODIKMRAFHZGDGJ-JGVFFNPUSA-N -1 0 308.294 -0.915 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001607483687 1019024469 /nfs/dbraw/zinc/02/44/69/1019024469.db2.gz FOMKXDSLVZFWJE-GMSGAONNSA-N -1 0 311.294 -0.655 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)N2C[C@@H](O)[C@H](CO)C2)n1C ZINC001607515480 1019025179 /nfs/dbraw/zinc/02/51/79/1019025179.db2.gz YNXFPFRAQBJLGE-JOYOIKCWSA-N -1 0 311.338 -0.474 20 0 DBADRM Cc1c(C(=O)[O-])cc(CN2CC(O)(c3ncnn3C)C2)n1C ZINC001607511062 1019025224 /nfs/dbraw/zinc/02/52/24/1019025224.db2.gz KADUPTRRPPVSTC-UHFFFAOYSA-N -1 0 305.338 -0.136 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)N2C[C@H](O)[C@H](CO)C2)n1C ZINC001607515479 1019025632 /nfs/dbraw/zinc/02/56/32/1019025632.db2.gz YNXFPFRAQBJLGE-CABZTGNLSA-N -1 0 311.338 -0.474 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001502181444 1019025612 /nfs/dbraw/zinc/02/56/12/1019025612.db2.gz XJINQQTYQLNILF-BDAKNGLRSA-N -1 0 321.337 -0.708 20 0 DBADRM Cc1c(C(=O)[O-])csc1NC(=O)C(=O)NC[C@](C)(O)CO ZINC001607518582 1019026037 /nfs/dbraw/zinc/02/60/37/1019026037.db2.gz GHEKIDBOAVLCQI-LBPRGKRZSA-N -1 0 316.335 -0.447 20 0 DBADRM Cc1c(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])nnn1C(C)C ZINC001607504365 1019026059 /nfs/dbraw/zinc/02/60/59/1019026059.db2.gz LKXJIFCANYDOTJ-VIFPVBQESA-N -1 0 309.326 -0.465 20 0 DBADRM Cc1[nH]ccc1C(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001607499569 1019026312 /nfs/dbraw/zinc/02/63/12/1019026312.db2.gz OQGMBMUTARLZJD-NWDGAFQWSA-N -1 0 323.349 -0.405 20 0 DBADRM Cc1c(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cnn1C ZINC001607504210 1019026519 /nfs/dbraw/zinc/02/65/19/1019026519.db2.gz JVVDTPACKQFBOS-VHSXEESVSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607500164 1019027150 /nfs/dbraw/zinc/02/71/50/1019027150.db2.gz MYIWWRQPJBHMNM-UTINFBMNSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)NCC2(CO)COC2)n1C ZINC001607516080 1019027477 /nfs/dbraw/zinc/02/74/77/1019027477.db2.gz XFEVPPZCSHWRLE-UHFFFAOYSA-N -1 0 311.338 -0.160 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)C(=O)N[C@H]2CO[C@H](C)C2)n1C ZINC001607512128 1019027515 /nfs/dbraw/zinc/02/75/15/1019027515.db2.gz SYMMJVZJQITQEE-PSASIEDQSA-N -1 0 323.349 -0.058 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])cccc1N(C)C ZINC001607537577 1019027761 /nfs/dbraw/zinc/02/77/61/1019027761.db2.gz VDDJBHJZZISNQG-JTQLQIEISA-N -1 0 323.349 -0.049 20 0 DBADRM Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001607554923 1019027849 /nfs/dbraw/zinc/02/78/49/1019027849.db2.gz CGQQUIYBNNZWEZ-NXEZZACHSA-N -1 0 306.322 -0.277 20 0 DBADRM Cc1c(C(=O)N(C)C)occ1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC001607555751 1019028394 /nfs/dbraw/zinc/02/83/94/1019028394.db2.gz KOEBTDFJZARFBD-ZETCQYMHSA-N -1 0 320.323 -0.986 20 0 DBADRM Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001607554924 1019028434 /nfs/dbraw/zinc/02/84/34/1019028434.db2.gz CGQQUIYBNNZWEZ-UWVGGRQHSA-N -1 0 306.322 -0.277 20 0 DBADRM Cc1c(CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cnn1C ZINC001607527975 1019028487 /nfs/dbraw/zinc/02/84/87/1019028487.db2.gz PXVNUGXBUKBNQL-IUCAKERBSA-N -1 0 310.354 -0.245 20 0 DBADRM Cc1c[nH]nc1C(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001607556577 1019028609 /nfs/dbraw/zinc/02/86/09/1019028609.db2.gz QBFQWTQAUIKDOF-SECBINFHSA-N -1 0 316.321 -0.045 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cnn1C ZINC001607528079 1019028794 /nfs/dbraw/zinc/02/87/94/1019028794.db2.gz XMUCJKSPDVJOPT-NSHDSACASA-N -1 0 324.337 -0.953 20 0 DBADRM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N[C@@H](CF)C(=O)[O-] ZINC001607533855 1019029240 /nfs/dbraw/zinc/02/92/40/1019029240.db2.gz JMMZRPUAEOPZNS-VIFPVBQESA-N -1 0 322.289 -0.066 20 0 DBADRM Cc1c(CCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cnn1C ZINC001607527402 1019029377 /nfs/dbraw/zinc/02/93/77/1019029377.db2.gz ZQCGVZWJQVKGRZ-NSHDSACASA-N -1 0 308.338 -0.537 20 0 DBADRM Cc1c(CCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cnn1C ZINC001607527401 1019029854 /nfs/dbraw/zinc/02/98/54/1019029854.db2.gz ZQCGVZWJQVKGRZ-LLVKDONJSA-N -1 0 308.338 -0.537 20 0 DBADRM Cc1cc(C(=O)NCC(=O)NCC(=O)[O-])nc(C(F)(F)F)n1 ZINC001607577152 1019030453 /nfs/dbraw/zinc/03/04/53/1019030453.db2.gz PMYHZBHIFBORBQ-UHFFFAOYSA-N -1 0 320.227 -0.266 20 0 DBADRM Cc1cc(C(=O)N2CC(O)(C(=O)[O-])C2)c2c(=O)[nH]n(C)c2n1 ZINC001607569474 1019030753 /nfs/dbraw/zinc/03/07/53/1019030753.db2.gz IGNWZFPHQNVYQS-UHFFFAOYSA-N -1 0 306.278 -0.746 20 0 DBADRM Cc1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cnn1 ZINC001607576750 1019031371 /nfs/dbraw/zinc/03/13/71/1019031371.db2.gz JDINUOQBDMCPEO-WDEREUQCSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)ncn1 ZINC001607579501 1019031711 /nfs/dbraw/zinc/03/17/11/1019031711.db2.gz ZUQYIBXQYIOJBL-WDEREUQCSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1cc(C(=O)NN2CCS(=O)(=O)CC2)oc1C(=O)[O-] ZINC001607580769 1019032691 /nfs/dbraw/zinc/03/26/91/1019032691.db2.gz WZIQZIAVGLLSHQ-UHFFFAOYSA-N -1 0 302.308 -0.339 20 0 DBADRM Cc1cc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])on1 ZINC001607641613 1019033225 /nfs/dbraw/zinc/03/32/25/1019033225.db2.gz LJAPNBMAONQYPD-WPRPVWTQSA-N -1 0 308.294 -0.438 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(=O)n1 ZINC001607629639 1019033349 /nfs/dbraw/zinc/03/33/49/1019033349.db2.gz GIZQZGYSZLITAE-NSHDSACASA-N -1 0 309.322 -0.438 20 0 DBADRM Cc1cc(C(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])cnn1 ZINC001607583704 1019034246 /nfs/dbraw/zinc/03/42/46/1019034246.db2.gz OCJAYVCYCSBDTO-UHFFFAOYSA-N -1 0 307.266 -0.170 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)NCCCN1CCNC(=O)C1 ZINC001607603898 1019034863 /nfs/dbraw/zinc/03/48/63/1019034863.db2.gz HRMDBNWIWVBAMF-UHFFFAOYSA-N -1 0 309.322 -0.162 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC(CO)(CO)C1 ZINC001607598305 1019034960 /nfs/dbraw/zinc/03/49/60/1019034960.db2.gz UEOUAWOHLPDEKM-UHFFFAOYSA-N -1 0 315.347 -0.331 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2CCC(NS(N)(=O)=O)CC2)n1 ZINC001607599593 1019035723 /nfs/dbraw/zinc/03/57/23/1019035723.db2.gz DKDMJWJSBGIKSS-UHFFFAOYSA-N -1 0 315.355 -0.755 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H](C)c2nncn2C)c(C(=O)[O-])[nH]1 ZINC001607671096 1019036603 /nfs/dbraw/zinc/03/66/03/1019036603.db2.gz VEQVJRJBBQUPEY-ZETCQYMHSA-N -1 0 320.309 -0.034 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC2(C)OCCO2)c(C(=O)[O-])[nH]1 ZINC001607673763 1019036938 /nfs/dbraw/zinc/03/69/38/1019036938.db2.gz WGXHNEXPROENJY-UHFFFAOYSA-N -1 0 311.294 -0.161 20 0 DBADRM Cc1cc(NC(=O)CN2CC[C@]3(CC(C(=O)[O-])=NO3)C2)n(C)n1 ZINC001607680177 1019037453 /nfs/dbraw/zinc/03/74/53/1019037453.db2.gz YTFVZDYVYKZOLY-AWEZNQCLSA-N -1 0 321.337 -0.028 20 0 DBADRM Cc1cc(N2CC[C@@H](CO)[C@H](O)C2)n2nc(C(=O)[O-])nc2n1 ZINC001607685393 1019037491 /nfs/dbraw/zinc/03/74/91/1019037491.db2.gz WUDVSYDYZOYBLF-DTWKUNHWSA-N -1 0 307.310 -0.690 20 0 DBADRM Cc1cc(NC(=O)Cn2ncn(C)c2=O)nc(C)c1C(=O)[O-] ZINC001607680781 1019037680 /nfs/dbraw/zinc/03/76/80/1019037680.db2.gz HUPKVKWUBPLTQZ-UHFFFAOYSA-N -1 0 305.294 -0.069 20 0 DBADRM Cc1cc(NC(=O)[C@H]2CCN(C)S2(=O)=O)c(C(=O)[O-])[nH]1 ZINC001607675945 1019038005 /nfs/dbraw/zinc/03/80/05/1019038005.db2.gz APNBZQKYDAWODW-MRVPVSSYSA-N -1 0 301.324 -0.006 20 0 DBADRM Cc1cc(NC(=O)NC[C@H](O)Cn2ccnn2)ncc1C(=O)[O-] ZINC001607685744 1019038131 /nfs/dbraw/zinc/03/81/31/1019038131.db2.gz NHAKJUAMAWJRJR-VIFPVBQESA-N -1 0 320.309 -0.138 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001607698957 1019038471 /nfs/dbraw/zinc/03/84/71/1019038471.db2.gz GCOTUMJTUCBGQJ-KOLCDFICSA-N -1 0 310.306 -0.437 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC001607737539 1019039757 /nfs/dbraw/zinc/03/97/57/1019039757.db2.gz KXZNZCXCMLWPPQ-PHIMTYICSA-N -1 0 308.290 -0.804 20 0 DBADRM Cc1ccc(-c2nnn(CC(=O)N[C@](C)(CO)C(=O)[O-])n2)cc1 ZINC001607720495 1019039890 /nfs/dbraw/zinc/03/98/90/1019039890.db2.gz HNQASLNVYKBDSI-CQSZACIVSA-N -1 0 319.321 -0.400 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)N[C@](C)(CO)C(=O)[O-])cc1C ZINC001607730405 1019040096 /nfs/dbraw/zinc/04/00/96/1019040096.db2.gz FUNZQRQVYRFECD-OAHLLOKOSA-N -1 0 308.334 -0.015 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCN(C)[C@@H](CO)C2)oc1C(=O)[O-] ZINC001607704313 1019040153 /nfs/dbraw/zinc/04/01/53/1019040153.db2.gz QRIDWVOBPKVAMZ-SECBINFHSA-N -1 0 318.351 -0.417 20 0 DBADRM Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001607727704 1019040197 /nfs/dbraw/zinc/04/01/97/1019040197.db2.gz MMYSRCGXRDVQBY-ZJUUUORDSA-N -1 0 322.317 -0.388 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@@H](C)/C=C/C(=O)[O-] ZINC001607710691 1019040249 /nfs/dbraw/zinc/04/02/49/1019040249.db2.gz RCZUOPZCOLXYPK-SDLBARTOSA-N -1 0 302.308 -0.005 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCC(CO)(CO)C2)oc1C(=O)[O-] ZINC001607704179 1019040458 /nfs/dbraw/zinc/04/04/58/1019040458.db2.gz LDFLMHSRYAYYDL-UHFFFAOYSA-N -1 0 319.335 -0.348 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCN(C)[C@H](CO)C2)oc1C(=O)[O-] ZINC001607704314 1019040863 /nfs/dbraw/zinc/04/08/63/1019040863.db2.gz QRIDWVOBPKVAMZ-VIFPVBQESA-N -1 0 318.351 -0.417 20 0 DBADRM Cc1cc(=O)[nH]c(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1 ZINC001607699493 1019040924 /nfs/dbraw/zinc/04/09/24/1019040924.db2.gz PFQXFGYUKXCBKT-SNVBAGLBSA-N -1 0 307.306 -0.099 20 0 DBADRM Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001607727693 1019041166 /nfs/dbraw/zinc/04/11/66/1019041166.db2.gz MMYSRCGXRDVQBY-NXEZZACHSA-N -1 0 322.317 -0.388 20 0 DBADRM Cc1cccc(CNC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001607850955 1019041774 /nfs/dbraw/zinc/04/17/74/1019041774.db2.gz UXYATFSXQUVKRG-JQWIXIFHSA-N -1 0 321.333 -0.700 20 0 DBADRM Cc1cccc(N(CC(=O)[O-])C(=O)Cn2ncn(C)c2=O)n1 ZINC001607854486 1019041795 /nfs/dbraw/zinc/04/17/95/1019041795.db2.gz GGIQEDYTBKCCCG-UHFFFAOYSA-N -1 0 305.294 -0.597 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)cn1 ZINC001607781136 1019041971 /nfs/dbraw/zinc/04/19/71/1019041971.db2.gz KCQQQCWBGKDJLQ-JQWIXIFHSA-N -1 0 321.333 -0.293 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CC(=O)N(C)C2)cc1C(=O)[O-] ZINC001607793192 1019042935 /nfs/dbraw/zinc/04/29/35/1019042935.db2.gz AWWOYMJVGCZYGZ-UHFFFAOYSA-N -1 0 305.290 -0.110 20 0 DBADRM Cc1ccc(S(N)(=O)=O)c(C(=O)NCCOCC(=O)[O-])c1 ZINC001607821961 1019043059 /nfs/dbraw/zinc/04/30/59/1019043059.db2.gz FXQQGBLFXZEWSQ-UHFFFAOYSA-N -1 0 316.335 -0.527 20 0 DBADRM Cc1cn(C)nc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607901114 1019046020 /nfs/dbraw/zinc/04/60/20/1019046020.db2.gz KOGPAHKVYFIDMU-GHMZBOCLSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1ccnc(NCCN(CCO)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001607895252 1019046154 /nfs/dbraw/zinc/04/61/54/1019046154.db2.gz PABWPEKJDHKQPD-MNOVXSKESA-N -1 0 308.338 -0.261 20 0 DBADRM Cc1ccnc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)n1 ZINC001607893269 1019046178 /nfs/dbraw/zinc/04/61/78/1019046178.db2.gz NWBANXOCTZWSKD-UHFFFAOYSA-N -1 0 302.294 -0.463 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001607890860 1019046401 /nfs/dbraw/zinc/04/64/01/1019046401.db2.gz KRINRJNHFROOPA-VHSXEESVSA-N -1 0 321.333 -0.046 20 0 DBADRM Cc1cn2nc(C(=O)NCCSCC(=O)[O-])cc2c(=O)[nH]1 ZINC001607902913 1019046575 /nfs/dbraw/zinc/04/65/75/1019046575.db2.gz IVPOMBLGGHHMAO-UHFFFAOYSA-N -1 0 310.335 -0.121 20 0 DBADRM Cc1cn2nnc(C(=O)N3CCC[C@H](O)[C@@H]3C(=O)[O-])c2c(=O)[nH]1 ZINC001607903058 1019046812 /nfs/dbraw/zinc/04/68/12/1019046812.db2.gz MPZJQDQTNHZLQQ-IONNQARKSA-N -1 0 321.293 -0.812 20 0 DBADRM Cc1cnc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001607905869 1019047636 /nfs/dbraw/zinc/04/76/36/1019047636.db2.gz VQBFYHOAYXBMCA-MNOVXSKESA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1cncn1CC(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607914549 1019048309 /nfs/dbraw/zinc/04/83/09/1019048309.db2.gz BQJRPYAQQBOPQI-RYUDHWBXSA-N -1 0 320.349 -0.513 20 0 DBADRM Cc1cncn1CC(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607915022 1019048344 /nfs/dbraw/zinc/04/83/44/1019048344.db2.gz NAYGCAFYABUDTQ-QWRGUYRKSA-N -1 0 306.322 -0.761 20 0 DBADRM Cc1cnc(C(=O)NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cn1 ZINC001607905437 1019048552 /nfs/dbraw/zinc/04/85/52/1019048552.db2.gz NUGAIBVVBFMBHP-UWVGGRQHSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1cn2nnc(C(=O)NC[C@@]3(C(=O)[O-])CCOC3)c2c(=O)[nH]1 ZINC001607903592 1019048598 /nfs/dbraw/zinc/04/85/98/1019048598.db2.gz VTNNMXYSWKRGPV-ZDUSSCGKSA-N -1 0 321.293 -0.641 20 0 DBADRM Cc1cnn(CC(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)c1 ZINC001607916848 1019048649 /nfs/dbraw/zinc/04/86/49/1019048649.db2.gz ZNPMKKWMQDLODD-RYUDHWBXSA-N -1 0 320.349 -0.417 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001607916071 1019049109 /nfs/dbraw/zinc/04/91/09/1019049109.db2.gz LHVPZMNAAAUMEO-HNNXBMFYSA-N -1 0 322.365 -0.270 20 0 DBADRM Cc1cncc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1 ZINC001607911212 1019049144 /nfs/dbraw/zinc/04/91/44/1019049144.db2.gz CNYMGLPQNKCPEQ-NXEZZACHSA-N -1 0 300.336 -0.154 20 0 DBADRM Cc1cnn(CC(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)c1 ZINC001607916847 1019049433 /nfs/dbraw/zinc/04/94/33/1019049433.db2.gz ZNPMKKWMQDLODD-NWDGAFQWSA-N -1 0 320.349 -0.417 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)NCc1nc(C(=O)[O-])co1 ZINC001607916493 1019049805 /nfs/dbraw/zinc/04/98/05/1019049805.db2.gz FDNWZVUIXGEKQG-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM Cc1csc(S(=O)(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1 ZINC001607934084 1019050861 /nfs/dbraw/zinc/05/08/61/1019050861.db2.gz MSCYUKFOPUKJIV-MRVPVSSYSA-N -1 0 318.376 -0.028 20 0 DBADRM Cc1csc2ncc(C(=O)N3CC[C@@](O)(C(=O)[O-])C3)c(=O)n12 ZINC001607933883 1019050937 /nfs/dbraw/zinc/05/09/37/1019050937.db2.gz LLVMJAFTVVAFEU-ZDUSSCGKSA-N -1 0 323.330 -0.274 20 0 DBADRM Cc1conc1CS(=O)(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001607923168 1019051586 /nfs/dbraw/zinc/05/15/86/1019051586.db2.gz SDXZDJIMHLBHFI-VIFPVBQESA-N -1 0 317.323 -0.960 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@H](CC(N)=O)C2)c1C(=O)[O-] ZINC001607937316 1019051777 /nfs/dbraw/zinc/05/17/77/1019051777.db2.gz SVJOKZPDWSLQLQ-SSDOTTSWSA-N -1 0 316.339 -0.698 20 0 DBADRM Cc1cnoc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607918162 1019052121 /nfs/dbraw/zinc/05/21/21/1019052121.db2.gz KFIDDQZLFRLBNW-NXEZZACHSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1nc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)nn1-c1nc[nH]n1 ZINC001607946006 1019053898 /nfs/dbraw/zinc/05/38/98/1019053898.db2.gz OMLYAZGIFKEQQW-JIGDXULJSA-N -1 0 303.282 -0.904 20 0 DBADRM Cc1nc(N(C)C)nc(N(CCN2CCOCC2)CC(=O)[O-])n1 ZINC001607961394 1019054305 /nfs/dbraw/zinc/05/43/05/1019054305.db2.gz RKPBBEAGIPQUKB-UHFFFAOYSA-N -1 0 324.385 -0.531 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCNC(=O)C[C@H]2C)c1C(=O)[O-] ZINC001607940275 1019054968 /nfs/dbraw/zinc/05/49/68/1019054968.db2.gz OJEHXPKDQGPZDO-ZCFIWIBFSA-N -1 0 316.339 -0.685 20 0 DBADRM Cc1nc(C(=O)NC[C@H](O)C(=O)[O-])nn1-c1ccc(F)cc1 ZINC001607944822 1019055535 /nfs/dbraw/zinc/05/55/35/1019055535.db2.gz GIYBFEKMYOIYKC-JTQLQIEISA-N -1 0 308.269 -0.110 20 0 DBADRM Cc1n[nH]nc1C(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001607941010 1019055583 /nfs/dbraw/zinc/05/55/83/1019055583.db2.gz MYQRAGNSTKJESG-QMMMGPOBSA-N -1 0 310.310 -0.018 20 0 DBADRM Cc1ncc(NC(=O)NC[C@H](O)Cn2ccnn2)cc1C(=O)[O-] ZINC001607980616 1019057255 /nfs/dbraw/zinc/05/72/55/1019057255.db2.gz JLUXHGWGCFXMMB-JTQLQIEISA-N -1 0 320.309 -0.138 20 0 DBADRM Cc1ncc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])n1C ZINC001607978535 1019057376 /nfs/dbraw/zinc/05/73/76/1019057376.db2.gz ROUVZJXANSFRBL-ONGXEEELSA-N -1 0 321.337 -0.692 20 0 DBADRM Cc1ncc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c(N)n1 ZINC001607975705 1019057402 /nfs/dbraw/zinc/05/74/02/1019057402.db2.gz JZWLITNHDWCCMY-CYBMUJFWSA-N -1 0 305.294 -0.187 20 0 DBADRM Cc1nc(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)c(C(=O)NCCO)n1C ZINC001607963582 1019058164 /nfs/dbraw/zinc/05/81/64/1019058164.db2.gz KAQLOZHJRMBTEM-DTORHVGOSA-N -1 0 324.337 -0.500 20 0 DBADRM Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@@H](O)CC(=O)[O-] ZINC001607973707 1019058231 /nfs/dbraw/zinc/05/82/31/1019058231.db2.gz WOWXODCDYBBDKL-JTQLQIEISA-N -1 0 319.317 -0.343 20 0 DBADRM Cc1nc2ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc2o1 ZINC001607973316 1019058396 /nfs/dbraw/zinc/05/83/96/1019058396.db2.gz LGPHCWSHACWYRR-SECBINFHSA-N -1 0 300.292 -0.140 20 0 DBADRM Cc1ncn(C)c1C(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001607990190 1019060410 /nfs/dbraw/zinc/06/04/10/1019060410.db2.gz BPMSXKADIRNVTI-MRVPVSSYSA-N -1 0 318.337 -0.131 20 0 DBADRM Cc1nccc(C(=O)NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001607987000 1019060682 /nfs/dbraw/zinc/06/06/82/1019060682.db2.gz DQJVBYDXXOORLA-UWVGGRQHSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001607996832 1019061025 /nfs/dbraw/zinc/06/10/25/1019061025.db2.gz OPNOURPYQTUJOQ-AWEZNQCLSA-N -1 0 309.322 -0.173 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001607989471 1019061368 /nfs/dbraw/zinc/06/13/68/1019061368.db2.gz JFWKHJHSJJVEFR-ONGXEEELSA-N -1 0 324.337 -0.992 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)CCN1CCOCC1 ZINC001608003874 1019062809 /nfs/dbraw/zinc/06/28/09/1019062809.db2.gz CDNACKWUCYFMFB-UHFFFAOYSA-N -1 0 324.381 -0.077 20 0 DBADRM Cc1nn(CC(=O)NC2(C(=O)[O-])CCSCC2)c(=O)o1 ZINC001608004213 1019062964 /nfs/dbraw/zinc/06/29/64/1019062964.db2.gz RYZZRKRWIFUPQP-UHFFFAOYSA-N -1 0 301.324 -0.389 20 0 DBADRM Cc1nn(CC(=O)NCC2(CC(=O)[O-])CCOCC2)c(=O)o1 ZINC001608003675 1019063595 /nfs/dbraw/zinc/06/35/95/1019063595.db2.gz LPFGWEGXRBIRCX-UHFFFAOYSA-N -1 0 313.310 -0.468 20 0 DBADRM Cc1nn(CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c(=O)n1C ZINC001608011946 1019063684 /nfs/dbraw/zinc/06/36/84/1019063684.db2.gz QXKCLOJEGYAFHT-SECBINFHSA-N -1 0 307.314 -0.916 20 0 DBADRM Cc1nn(C)c(C)c1CCC(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001607999805 1019064062 /nfs/dbraw/zinc/06/40/62/1019064062.db2.gz SUSMWAPLCAMGFW-GFCCVEGCSA-N -1 0 320.353 -0.169 20 0 DBADRM Cc1nn(C)cc1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001608005423 1019064107 /nfs/dbraw/zinc/06/41/07/1019064107.db2.gz QRDLPWOAEGZIJL-UHFFFAOYSA-N -1 0 315.351 -0.510 20 0 DBADRM Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCC[C@H](O)C(=O)[O-] ZINC001607999945 1019064361 /nfs/dbraw/zinc/06/43/61/1019064361.db2.gz REKPIHDGSRKWIA-JTQLQIEISA-N -1 0 321.337 -0.212 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)NCCC(=O)NCCC(=O)[O-])c1C ZINC001607999501 1019064801 /nfs/dbraw/zinc/06/48/01/1019064801.db2.gz MWPXNBHYAVNXKB-UHFFFAOYSA-N -1 0 324.337 -0.892 20 0 DBADRM Cc1nnc(CC(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001608013768 1019065576 /nfs/dbraw/zinc/06/55/76/1019065576.db2.gz NYOHHTWXQPOLPD-NXEZZACHSA-N -1 0 322.321 -0.784 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)NC[C@H](F)C(=O)[O-] ZINC001608023783 1019066154 /nfs/dbraw/zinc/06/61/54/1019066154.db2.gz PSOCIEKIZGQXGN-ZETCQYMHSA-N -1 0 323.302 -0.891 20 0 DBADRM Cc1nnccc1C(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001608017615 1019066525 /nfs/dbraw/zinc/06/65/25/1019066525.db2.gz FVIZIJYTKXOURE-NWDGAFQWSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)NCCCCC(=O)[O-])s1 ZINC001608015817 1019066979 /nfs/dbraw/zinc/06/69/79/1019066979.db2.gz BYPYBQQRLHIYRO-UHFFFAOYSA-N -1 0 300.340 -0.166 20 0 DBADRM Cc1noc(CCC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])n1 ZINC001608026451 1019067031 /nfs/dbraw/zinc/06/70/31/1019067031.db2.gz WUKOCXUVEMTQFI-VIFPVBQESA-N -1 0 310.310 -0.498 20 0 DBADRM Cc1noc([C@@H](C)NC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001608021554 1019067888 /nfs/dbraw/zinc/06/78/88/1019067888.db2.gz UDNGGCGNMODHLN-VDAHYXPESA-N -1 0 310.310 -0.123 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])CC2 ZINC001608017642 1019067928 /nfs/dbraw/zinc/06/79/28/1019067928.db2.gz HDGXEXLNPBMCMY-KOLCDFICSA-N -1 0 318.337 -0.316 20 0 DBADRM Cc1nc(SCCC(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)n[nH]1 ZINC001608017039 1019068153 /nfs/dbraw/zinc/06/81/53/1019068153.db2.gz BGNWJGPNNSHKPD-DGFRNANFSA-N -1 0 300.340 -0.310 20 0 DBADRM Cc1oc(C(=O)N[C@H](C)/C=C\C(=O)[O-])cc1S(N)(=O)=O ZINC001608032222 1019068939 /nfs/dbraw/zinc/06/89/39/1019068939.db2.gz RUXSPIFVOHCXPS-KGJQDRRLSA-N -1 0 302.308 -0.005 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N[C@H]2CCN(C)C2=O)cc1C(=O)[O-] ZINC001608049991 1019069786 /nfs/dbraw/zinc/06/97/86/1019069786.db2.gz ITMGFEYYFRKOHM-JTQLQIEISA-N -1 0 323.305 -0.751 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N2CCC[C@H](O)C2)cc1C(=O)[O-] ZINC001608051159 1019070008 /nfs/dbraw/zinc/07/00/08/1019070008.db2.gz SHFUVHLITCAMDU-VIFPVBQESA-N -1 0 310.306 -0.114 20 0 DBADRM Cc1occc1C(=O)NCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001608055410 1019073033 /nfs/dbraw/zinc/07/30/33/1019073033.db2.gz FGFBUCUFARDZRN-LLVKDONJSA-N -1 0 320.305 -0.147 20 0 DBADRM Cc1oc(S(=O)(=O)NCCc2nnnn2C)cc1C(=O)[O-] ZINC001608056570 1019073653 /nfs/dbraw/zinc/07/36/53/1019073653.db2.gz PYBVIFHJCSMGKW-UHFFFAOYSA-N -1 0 315.311 -0.669 20 0 DBADRM Cn1cc(-c2n[nH]cc2C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001608094227 1019074313 /nfs/dbraw/zinc/07/43/13/1019074313.db2.gz FOIJENGNYWAGOU-WPRPVWTQSA-N -1 0 319.321 -0.282 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCO[C@H](Cn2ccnn2)C1 ZINC001608082463 1019074656 /nfs/dbraw/zinc/07/46/56/1019074656.db2.gz GZTARAWHTANKAU-JTQLQIEISA-N -1 0 319.321 -0.144 20 0 DBADRM Cn1c(=O)cccc1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001608080098 1019075308 /nfs/dbraw/zinc/07/53/08/1019075308.db2.gz DGPCXBXYYSGZGL-VIFPVBQESA-N -1 0 317.305 -0.238 20 0 DBADRM Cn1c(C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)c[nH]c1=O ZINC001608081780 1019075326 /nfs/dbraw/zinc/07/53/26/1019075326.db2.gz PDDBOAFZJCGOEE-JGVFFNPUSA-N -1 0 322.321 -0.775 20 0 DBADRM Cn1c([C@H]2CCCC(=O)N2)nnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC001608092627 1019076096 /nfs/dbraw/zinc/07/60/96/1019076096.db2.gz ZMGMACJKADTECT-VHSXEESVSA-N -1 0 323.353 -0.164 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2cccc(CC(=O)[O-])n2)c1=O ZINC001608077967 1019076253 /nfs/dbraw/zinc/07/62/53/1019076253.db2.gz PTDXXWJVZLRNSN-UHFFFAOYSA-N -1 0 318.289 -0.792 20 0 DBADRM Cn1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CCC2)nn1 ZINC001608098895 1019077256 /nfs/dbraw/zinc/07/72/56/1019077256.db2.gz YDHOCPHIXBEXGJ-RKDXNWHRSA-N -1 0 321.337 -0.696 20 0 DBADRM Cn1cc(C(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)[nH]c1=O ZINC001608098221 1019077845 /nfs/dbraw/zinc/07/78/45/1019077845.db2.gz NFQRYRZLAQRVLT-JGVFFNPUSA-N -1 0 322.321 -0.775 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)C(=O)N2CCN(C3CC3)CC2)n1 ZINC001608099629 1019077970 /nfs/dbraw/zinc/07/79/70/1019077970.db2.gz DSUDWANHOCBNOG-UHFFFAOYSA-N -1 0 321.337 -0.637 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001608105884 1019078724 /nfs/dbraw/zinc/07/87/24/1019078724.db2.gz OYTKLRAXDSUWFI-ZUZCIYMTSA-N -1 0 321.333 -0.313 20 0 DBADRM Cn1cc(CCC(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])nn1 ZINC001608108831 1019079644 /nfs/dbraw/zinc/07/96/44/1019079644.db2.gz ZXJUXMPIKBJNOI-CYBMUJFWSA-N -1 0 306.326 -0.396 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)Nc2cc(C(=O)[O-])nn2C)cn1 ZINC001608105375 1019079718 /nfs/dbraw/zinc/07/97/18/1019079718.db2.gz BYCKYVSIMQHTRC-SECBINFHSA-N -1 0 308.298 -0.293 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)N3CCC(O)(C(=O)[O-])CC3)C2)cn1 ZINC001608106752 1019080511 /nfs/dbraw/zinc/08/05/11/1019080511.db2.gz GWAPVVGJFNNQBF-NSHDSACASA-N -1 0 322.321 -0.649 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)NC[C@H](F)C(=O)[O-])C2=O)cn1 ZINC001608116858 1019081527 /nfs/dbraw/zinc/08/15/27/1019081527.db2.gz CPJSOXPCZYXALL-DTWKUNHWSA-N -1 0 313.289 -0.753 20 0 DBADRM Cn1cc(C[C@H](CO)NS(=O)(=O)CC2(C(=O)[O-])CC2)cn1 ZINC001608110696 1019081607 /nfs/dbraw/zinc/08/16/07/1019081607.db2.gz MAFBCTDVPTXSRO-SNVBAGLBSA-N -1 0 317.367 -0.892 20 0 DBADRM Cn1cc(NC(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)nn1 ZINC001608118278 1019081874 /nfs/dbraw/zinc/08/18/74/1019081874.db2.gz MMTRSPUXRCDBMT-MRVPVSSYSA-N -1 0 320.313 -0.026 20 0 DBADRM Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)N2CC(O)(C(=O)[O-])C2)cn1 ZINC001608110612 1019081985 /nfs/dbraw/zinc/08/19/85/1019081985.db2.gz JLLHQDUDBFUPEA-RYUDHWBXSA-N -1 0 322.365 -0.028 20 0 DBADRM Cn1cc(NC(=O)C(=O)Nc2cnn(CCO)c2)cc1C(=O)[O-] ZINC001608116581 1019082099 /nfs/dbraw/zinc/08/20/99/1019082099.db2.gz VJEUILKXTWLPQH-UHFFFAOYSA-N -1 0 321.293 -0.511 20 0 DBADRM Cn1cc(Cc2nnc(N3CCO[C@@H](C(=O)[O-])C3)n2C)cn1 ZINC001608113231 1019082482 /nfs/dbraw/zinc/08/24/82/1019082482.db2.gz BLJYHDUVCQSGME-SNVBAGLBSA-N -1 0 306.326 -0.571 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C2=O)cn1 ZINC001608117853 1019082733 /nfs/dbraw/zinc/08/27/33/1019082733.db2.gz VYYAZQOSNWZXSI-FXPVBKGRSA-N -1 0 321.337 -0.312 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N[C@@H](CCF)C(=O)[O-])CC2=O)cn1 ZINC001608117096 1019083726 /nfs/dbraw/zinc/08/37/26/1019083726.db2.gz GNWZHJAJJMASNK-WPRPVWTQSA-N -1 0 312.301 -0.298 20 0 DBADRM Cn1ccc([C@@H](NC(=O)c2cc3n(n2)CCCO3)C(=O)[O-])n1 ZINC001608124804 1019084389 /nfs/dbraw/zinc/08/43/89/1019084389.db2.gz LJXTXYFUPQPXED-LLVKDONJSA-N -1 0 305.294 -0.045 20 0 DBADRM Cn1cc(NC(=O)NN2CCS(=O)(=O)CC2)cc1C(=O)[O-] ZINC001608119484 1019085633 /nfs/dbraw/zinc/08/56/33/1019085633.db2.gz MOEIPORUDPRTJG-UHFFFAOYSA-N -1 0 316.339 -0.510 20 0 DBADRM Cn1ccc(=O)n(CCCNC(=O)c2cc(C(=O)[O-])co2)c1=O ZINC001608123082 1019086171 /nfs/dbraw/zinc/08/61/71/1019086171.db2.gz AIJLGOMRJKVXQB-UHFFFAOYSA-N -1 0 321.289 -0.342 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(=O)O[C@H](C(=O)[O-])C2CC2)cn1 ZINC001608121758 1019086193 /nfs/dbraw/zinc/08/61/93/1019086193.db2.gz BODQKVNQFJVGEY-JTQLQIEISA-N -1 0 317.323 -0.895 20 0 DBADRM Cn1cnc(-c2nnc3n2CCN(C[C@](C)(O)C(=O)[O-])C3)c1 ZINC001608131672 1019087525 /nfs/dbraw/zinc/08/75/25/1019087525.db2.gz BOSVSAIRBLUQLC-ZDUSSCGKSA-N -1 0 306.326 -0.670 20 0 DBADRM Cn1cnc(C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])cc1=O ZINC001608134721 1019088723 /nfs/dbraw/zinc/08/87/23/1019088723.db2.gz VCZIXSJAIAEQJG-ZDUSSCGKSA-N -1 0 305.294 -0.750 20 0 DBADRM Cn1cncc1CCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001608137152 1019089395 /nfs/dbraw/zinc/08/93/95/1019089395.db2.gz WNVUAPBLRWTYPB-LLVKDONJSA-N -1 0 308.338 -0.456 20 0 DBADRM Cn1cnn(CC(=O)O[C@H](Cc2ccc(F)cc2)C(=O)[O-])c1=O ZINC001608137637 1019089638 /nfs/dbraw/zinc/08/96/38/1019089638.db2.gz RMTYXLOQDSFDLW-LLVKDONJSA-N -1 0 323.280 -0.040 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)n1 ZINC001608135708 1019089858 /nfs/dbraw/zinc/08/98/58/1019089858.db2.gz LRNIEXVIEJLSIG-UHFFFAOYSA-N -1 0 317.305 -0.303 20 0 DBADRM Cn1cncc1C(=O)NCC1(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCC1 ZINC001608136501 1019090113 /nfs/dbraw/zinc/09/01/13/1019090113.db2.gz PCJNCHBCUJKWIX-UWVGGRQHSA-N -1 0 320.349 -0.091 20 0 DBADRM Cn1cnn(CC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)c1=O ZINC001608137879 1019090217 /nfs/dbraw/zinc/09/02/17/1019090217.db2.gz YRPGCXQAWHOHCC-UHFFFAOYSA-N -1 0 316.317 -0.135 20 0 DBADRM Cn1cncc1CC(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608136279 1019090287 /nfs/dbraw/zinc/09/02/87/1019090287.db2.gz IXZIOJJCLVCYRS-RYUDHWBXSA-N -1 0 320.349 -0.742 20 0 DBADRM Cn1cncc1CCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001608136668 1019090389 /nfs/dbraw/zinc/09/03/89/1019090389.db2.gz FGOMJPFUTIXZOG-UHFFFAOYSA-N -1 0 304.310 -0.274 20 0 DBADRM Cn1cncc1[C@H](CO)NC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001608136881 1019090794 /nfs/dbraw/zinc/09/07/94/1019090794.db2.gz XUXMCBWSWCPPRA-NSHDSACASA-N -1 0 321.337 -0.055 20 0 DBADRM Cn1cncc1CCOC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001608136704 1019091046 /nfs/dbraw/zinc/09/10/46/1019091046.db2.gz GXYZKXNYBRNENT-LLVKDONJSA-N -1 0 309.322 -0.171 20 0 DBADRM Cn1cnn(CCC(=O)N[C@@]2(C(=O)[O-])CCSC2)c1=O ZINC001608137594 1019091342 /nfs/dbraw/zinc/09/13/42/1019091342.db2.gz QADCLNTUBKEGSG-NSHDSACASA-N -1 0 300.340 -0.952 20 0 DBADRM Cn1cnn(CC(=O)Nc2nc(CCC(=O)[O-])cs2)c1=O ZINC001608137872 1019091839 /nfs/dbraw/zinc/09/18/39/1019091839.db2.gz YGRPYIZCPPZTTL-UHFFFAOYSA-N -1 0 311.323 -0.306 20 0 DBADRM Cn1nc(Br)cc1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001608140352 1019092340 /nfs/dbraw/zinc/09/23/40/1019092340.db2.gz RFEQGAHXYUFQAJ-JTQLQIEISA-N -1 0 318.127 -0.156 20 0 DBADRM Cn1nc(Br)cc1C(=O)NC[C@H](O)CC(=O)[O-] ZINC001608140009 1019092516 /nfs/dbraw/zinc/09/25/16/1019092516.db2.gz LNURLYKOXINWPH-RXMQYKEDSA-N -1 0 306.116 -0.252 20 0 DBADRM Cn1nc([C@@H]2CCCO2)cc1NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001608148200 1019092637 /nfs/dbraw/zinc/09/26/37/1019092637.db2.gz FWXRZPSSYRUYPL-VIFPVBQESA-N -1 0 310.310 -0.065 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001608140525 1019092817 /nfs/dbraw/zinc/09/28/17/1019092817.db2.gz SQSIYRROHPDLPD-MGCOHNPYSA-N -1 0 308.342 -0.490 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001608146829 1019092908 /nfs/dbraw/zinc/09/29/08/1019092908.db2.gz CUVIDAPBYVKOJD-SECBINFHSA-N -1 0 321.337 -0.963 20 0 DBADRM Cn1nc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c2ccccc2c1=O ZINC001608141178 1019093215 /nfs/dbraw/zinc/09/32/15/1019093215.db2.gz ZPAVJHIJIQCNRF-CMPLNLGQSA-N -1 0 317.301 -0.095 20 0 DBADRM Cn1ncc(CN2CCC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001608157329 1019093517 /nfs/dbraw/zinc/09/35/17/1019093517.db2.gz AIJKHLVZVAAJOQ-OLZOCXBDSA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1nc2c(c1C(=O)OCC(=O)NCC(=O)[O-])CSCC2 ZINC001608151467 1019094223 /nfs/dbraw/zinc/09/42/23/1019094223.db2.gz JSEHBDWPMWBNAP-UHFFFAOYSA-N -1 0 313.335 -0.433 20 0 DBADRM Cn1nccc1[C@@H](O)CNC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001608150691 1019094982 /nfs/dbraw/zinc/09/49/82/1019094982.db2.gz SQIYLNBHTDOMPT-VIFPVBQESA-N -1 0 308.298 -0.293 20 0 DBADRM Cn1ncc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1Cl ZINC001608153155 1019095469 /nfs/dbraw/zinc/09/54/69/1019095469.db2.gz DUEUYXXGUNNISU-QMMMGPOBSA-N -1 0 314.729 -0.121 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCC2(CCO2)CC1 ZINC001608154775 1019095536 /nfs/dbraw/zinc/09/55/36/1019095536.db2.gz HAAIWYWSQJFPQA-UHFFFAOYSA-N -1 0 322.321 -0.162 20 0 DBADRM Cn1ncc(C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)n1 ZINC001608155248 1019095799 /nfs/dbraw/zinc/09/57/99/1019095799.db2.gz FULXBKPCCTXWBE-UHFFFAOYSA-N -1 0 317.305 -0.189 20 0 DBADRM Cn1nccc1CCN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608165050 1019096983 /nfs/dbraw/zinc/09/69/83/1019096983.db2.gz GYVOFFGGLHOTBI-STQMWFEESA-N -1 0 306.366 -0.173 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CC1SC(=N)NC1=O)C(=O)[O-] ZINC001608162346 1019097663 /nfs/dbraw/zinc/09/76/63/1019097663.db2.gz ISWFXMBWZSVGRW-XPUUQOCRSA-N -1 0 311.323 -0.782 20 0 DBADRM Cn1nnc(CN2CCC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001608165055 1019097690 /nfs/dbraw/zinc/09/76/90/1019097690.db2.gz AOWSQJJRYBACHJ-VHSXEESVSA-N -1 0 308.342 -0.989 20 0 DBADRM Cn1nccc1[C@H](NC[C@](O)(C(N)=O)c1ccccc1)C(=O)[O-] ZINC001608162858 1019097744 /nfs/dbraw/zinc/09/77/44/1019097744.db2.gz LBSHXOQYVWPABZ-SWLSCSKDSA-N -1 0 318.333 -0.492 20 0 DBADRM Cn1nccc1[C@@H](O)CNS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001608164611 1019098008 /nfs/dbraw/zinc/09/80/08/1019098008.db2.gz PMRQMZDLKKXHFF-VIFPVBQESA-N -1 0 305.356 -0.516 20 0 DBADRM Cn1nccc1CCn1nnnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001608165622 1019099252 /nfs/dbraw/zinc/09/92/52/1019099252.db2.gz PXRSBJCZNXGECC-ZDUSSCGKSA-N -1 0 305.342 -0.050 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-])CC2 ZINC001608167912 1019099496 /nfs/dbraw/zinc/09/94/96/1019099496.db2.gz RPSPGMFPYJLIJS-GGZOMVNGSA-N -1 0 308.338 -0.644 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCC(O)(C(=O)[O-])CC1)CC2 ZINC001608166824 1019099956 /nfs/dbraw/zinc/09/99/56/1019099956.db2.gz AOGQLNALUIHBNK-SECBINFHSA-N -1 0 308.338 -0.642 20 0 DBADRM Cn1nccc1[C@@H]1COCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001608165748 1019100186 /nfs/dbraw/zinc/10/01/86/1019100186.db2.gz RDYCVYZKSIZWDJ-NSHDSACASA-N -1 0 320.309 -0.690 20 0 DBADRM Cn1nccc1[C@H]1COCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001608165745 1019100296 /nfs/dbraw/zinc/10/02/96/1019100296.db2.gz RDYCVYZKSIZWDJ-LLVKDONJSA-N -1 0 320.309 -0.690 20 0 DBADRM Cn1nnc(NC(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])n1 ZINC001608168212 1019100994 /nfs/dbraw/zinc/10/09/94/1019100994.db2.gz VCNRJQZYJJSOAN-SECBINFHSA-N -1 0 320.309 -0.019 20 0 DBADRM Cn1nccc1S(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001608166387 1019101167 /nfs/dbraw/zinc/10/11/67/1019101167.db2.gz IIFWYPJXYDYVOV-JTQLQIEISA-N -1 0 303.340 -0.734 20 0 DBADRM Cn1nnc2c1CC[C@H](NS(=O)(=O)CCCC(=O)[O-])C2 ZINC001608167444 1019101369 /nfs/dbraw/zinc/10/13/69/1019101369.db2.gz DJDPCYOHXQVPOA-QMMMGPOBSA-N -1 0 302.356 -0.543 20 0 DBADRM Cn1nnc2cc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])ccc21 ZINC001608167788 1019101390 /nfs/dbraw/zinc/10/13/90/1019101390.db2.gz JFWDFRMWXKDHSW-LLVKDONJSA-N -1 0 314.323 -0.918 20 0 DBADRM Cn1nncc1CNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001608168746 1019103470 /nfs/dbraw/zinc/10/34/70/1019103470.db2.gz ZMIHOEARKRSZML-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cn1nnnc1CCCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001608169094 1019105698 /nfs/dbraw/zinc/10/56/98/1019105698.db2.gz GWCQNKUOYSTOEL-WDEREUQCSA-N -1 0 322.369 -0.105 20 0 DBADRM NC(=O)c1cc(CNC(=O)NCCSCC(=O)[O-])on1 ZINC001608241370 1019130367 /nfs/dbraw/zinc/13/03/67/1019130367.db2.gz KCFJVRVOQDTDPL-UHFFFAOYSA-N -1 0 302.312 -0.610 20 0 DBADRM NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C(=O)[O-])n1 ZINC001608229949 1019118276 /nfs/dbraw/zinc/11/82/76/1019118276.db2.gz QSUPGILZIBSSQP-HLTSFMKQSA-N -1 0 319.321 -0.724 20 0 DBADRM NC(=O)[C@@H]1CCCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001608230884 1019118554 /nfs/dbraw/zinc/11/85/54/1019118554.db2.gz HXMKRAUMYJXKID-SECBINFHSA-N -1 0 304.368 -0.232 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)C[C@@H]1C(N)=O ZINC001608230781 1019118864 /nfs/dbraw/zinc/11/88/64/1019118864.db2.gz ZPMLYSSPNIPPGU-SSMNVFFDSA-N -1 0 323.349 -0.933 20 0 DBADRM NC(=O)CC1(CN2C(=O)[C@@H]3CC[C@H](C(=O)[O-])CN3C2=O)CC1 ZINC001608231063 1019119159 /nfs/dbraw/zinc/11/91/59/1019119159.db2.gz QFBYDVQQZAXXSB-IUCAKERBSA-N -1 0 309.322 -0.231 20 0 DBADRM NC(=O)[C@@H]1CCCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001608230916 1019119981 /nfs/dbraw/zinc/11/99/81/1019119981.db2.gz DUUWYCZLOXTZFC-VIFPVBQESA-N -1 0 304.368 -0.089 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CCO1 ZINC001608230732 1019120513 /nfs/dbraw/zinc/12/05/13/1019120513.db2.gz YYXJIYLSZMRHNA-APLZJWDSSA-N -1 0 311.338 -0.619 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])S1 ZINC001608251440 1019137279 /nfs/dbraw/zinc/13/72/79/1019137279.db2.gz UIOTZCZPRKFGON-RFZPGFLSSA-N -1 0 307.278 -0.136 20 0 DBADRM NC(=O)C[C@H]1COCCN1C(=O)CCc1ocnc1C(=O)[O-] ZINC001608232442 1019122379 /nfs/dbraw/zinc/12/23/79/1019122379.db2.gz SEQWHACSXLJAQW-QMMMGPOBSA-N -1 0 311.294 -0.592 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)NCCSCC(=O)[O-])CCO1 ZINC001608231485 1019123009 /nfs/dbraw/zinc/12/30/09/1019123009.db2.gz FKORNVRLHHJFME-QMMMGPOBSA-N -1 0 305.356 -0.910 20 0 DBADRM NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001608233246 1019123273 /nfs/dbraw/zinc/12/32/73/1019123273.db2.gz XVBSOXFRULDABJ-RKDXNWHRSA-N -1 0 309.322 -0.280 20 0 DBADRM NC(=O)C[C@H]1COCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001608231737 1019123809 /nfs/dbraw/zinc/12/38/09/1019123809.db2.gz KFVQDZIWUAOLHY-NSHDSACASA-N -1 0 322.317 -0.134 20 0 DBADRM NC(=O)CSCC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001608236321 1019125568 /nfs/dbraw/zinc/12/55/68/1019125568.db2.gz VRIGNMICKJBATI-RKDXNWHRSA-N -1 0 304.368 -0.409 20 0 DBADRM NC(=O)N[C@@H](CC(=O)NC[C@@H](O)CC(=O)[O-])c1ccccc1 ZINC001608237887 1019125637 /nfs/dbraw/zinc/12/56/37/1019125637.db2.gz IHAYTPVNMIMKGC-QWRGUYRKSA-N -1 0 309.322 -0.262 20 0 DBADRM NC(=O)COc1cccc(NC(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001608236300 1019125662 /nfs/dbraw/zinc/12/56/62/1019125662.db2.gz UTLNBTPFDPMPME-VIFPVBQESA-N -1 0 311.294 -0.492 20 0 DBADRM NC(=O)NCCCCC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001608238229 1019125909 /nfs/dbraw/zinc/12/59/09/1019125909.db2.gz OCIDRJATSWVSPI-LLVKDONJSA-N -1 0 301.343 -0.491 20 0 DBADRM NC(=O)Cc1occc1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001608237475 1019126260 /nfs/dbraw/zinc/12/62/60/1019126260.db2.gz RAVLIVKMGCSMIG-SECBINFHSA-N -1 0 323.305 -0.887 20 0 DBADRM NC(=O)N1CC[C@H](NC(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001608237204 1019126317 /nfs/dbraw/zinc/12/63/17/1019126317.db2.gz TYMWRQAEERUCJU-ZETCQYMHSA-N -1 0 312.282 -0.841 20 0 DBADRM NC(=O)NC1(C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)CC1 ZINC001608238009 1019126430 /nfs/dbraw/zinc/12/64/30/1019126430.db2.gz JEHAFYPPMIKQRJ-UHFFFAOYSA-N -1 0 322.325 -0.659 20 0 DBADRM NC(=O)CSCC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001608236320 1019126529 /nfs/dbraw/zinc/12/65/29/1019126529.db2.gz VRIGNMICKJBATI-IUCAKERBSA-N -1 0 304.368 -0.409 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC001608236359 1019127816 /nfs/dbraw/zinc/12/78/16/1019127816.db2.gz XYTOERSUISULPW-MWLCHTKSSA-N -1 0 308.290 -0.789 20 0 DBADRM NC(=O)NCCCCCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001608238180 1019127964 /nfs/dbraw/zinc/12/79/64/1019127964.db2.gz NHNNQCMJIQKEOI-JTQLQIEISA-N -1 0 301.343 -0.083 20 0 DBADRM NC(=O)N1CCCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001608236882 1019127975 /nfs/dbraw/zinc/12/79/75/1019127975.db2.gz KKPKWMOXYFTBMV-DTORHVGOSA-N -1 0 305.356 -0.734 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NCCNc2ccnc(C(=O)[O-])n2)C1 ZINC001608239776 1019128991 /nfs/dbraw/zinc/12/89/91/1019128991.db2.gz JARWBWUUAOEFGI-BDAKNGLRSA-N -1 0 321.337 -0.974 20 0 DBADRM NC(=O)NCCC(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001608238459 1019129348 /nfs/dbraw/zinc/12/93/48/1019129348.db2.gz RZPAVEWQNSZQMZ-UHFFFAOYSA-N -1 0 313.354 -0.347 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](N2C(=O)[C@@H]3CC[C@@H](C(=O)[O-])CN3C2=O)C1 ZINC001608240144 1019130032 /nfs/dbraw/zinc/13/00/32/1019130032.db2.gz OMXUSPPHEBTFNZ-JLIMGVALSA-N -1 0 309.322 -0.232 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)OCC(=O)c2cc(C(=O)[O-])co2)O1 ZINC001608240734 1019131035 /nfs/dbraw/zinc/13/10/35/1019131035.db2.gz XFROEYNKKKADKN-BDAKNGLRSA-N -1 0 311.246 -0.263 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)O1 ZINC001608240540 1019131259 /nfs/dbraw/zinc/13/12/59/1019131259.db2.gz UCJCQJUOEHBZFZ-PTZCXBDSSA-N -1 0 324.255 -0.115 20 0 DBADRM NC(=O)c1ccc(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)nc1 ZINC001608243233 1019132379 /nfs/dbraw/zinc/13/23/79/1019132379.db2.gz PJKNLOXVIGTYGB-UWVGGRQHSA-N -1 0 307.306 -0.352 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cc1 ZINC001608244473 1019132440 /nfs/dbraw/zinc/13/24/40/1019132440.db2.gz DRVCJPZVDGIQIF-DGCLKSJQSA-N -1 0 322.317 -0.399 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1 ZINC001608243159 1019132499 /nfs/dbraw/zinc/13/24/99/1019132499.db2.gz QVDLDHYKIAADTD-NXEZZACHSA-N -1 0 307.306 -0.983 20 0 DBADRM NC(=O)c1cnc(NC(=O)N2CCC(O)(C(=O)[O-])CC2)s1 ZINC001608246827 1019132969 /nfs/dbraw/zinc/13/29/69/1019132969.db2.gz DKHAOQGDDXGCSJ-UHFFFAOYSA-N -1 0 314.323 -0.315 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC001608246502 1019133617 /nfs/dbraw/zinc/13/36/17/1019133617.db2.gz VMVBJKZFYZZDBC-LBPRGKRZSA-N -1 0 316.310 -0.027 20 0 DBADRM NC(=O)c1cccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)n1 ZINC001608245718 1019133679 /nfs/dbraw/zinc/13/36/79/1019133679.db2.gz HDPIRASATZGQAM-SFYZADRCSA-N -1 0 308.294 -0.520 20 0 DBADRM NC(=O)c1cn(C2CN(C(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)C2)nn1 ZINC001608246889 1019133721 /nfs/dbraw/zinc/13/37/21/1019133721.db2.gz IKKZQCIIQCXCEP-RKDXNWHRSA-N -1 0 321.337 -0.349 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)o1 ZINC001608243666 1019133938 /nfs/dbraw/zinc/13/39/38/1019133938.db2.gz WXEFOKHTGNCFTP-CYBMUJFWSA-N -1 0 307.262 -0.176 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001608246585 1019134212 /nfs/dbraw/zinc/13/42/12/1019134212.db2.gz YGNJNSGHBDEJBB-SNVBAGLBSA-N -1 0 321.333 -0.101 20 0 DBADRM NC(=O)c1ccccc1CCC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001608246486 1019134389 /nfs/dbraw/zinc/13/43/89/1019134389.db2.gz UXVCCASAKLJZLW-OAHLLOKOSA-N -1 0 306.318 -0.234 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCOC[C@H]2CC(=O)[O-])cn1 ZINC001608243225 1019134585 /nfs/dbraw/zinc/13/45/85/1019134585.db2.gz RMRPYIHTOUEHAY-SNVBAGLBSA-N -1 0 307.306 -0.575 20 0 DBADRM NC(=O)c1cccc(NC(=O)N[C@@]2(CC(=O)[O-])CCOC2)n1 ZINC001608246729 1019134926 /nfs/dbraw/zinc/13/49/26/1019134926.db2.gz ZEYATHYZHZUBGF-CYBMUJFWSA-N -1 0 308.294 -0.064 20 0 DBADRM NC(=O)c1csc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC001608246226 1019135078 /nfs/dbraw/zinc/13/50/78/1019135078.db2.gz XVNMIAKIXARHCE-ZETCQYMHSA-N -1 0 311.319 -0.738 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC001608259417 1019139400 /nfs/dbraw/zinc/13/94/00/1019139400.db2.gz KPAJCMJNSUNACO-UHFFFAOYSA-N -1 0 315.351 -0.146 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC001608259353 1019139452 /nfs/dbraw/zinc/13/94/52/1019139452.db2.gz JMWPXMJTJJOOSZ-SSDOTTSWSA-N -1 0 305.381 -0.048 20 0 DBADRM NS(=O)(=O)CCOCCNC(=O)c1ccc(C(=O)[O-])s1 ZINC001608260834 1019140660 /nfs/dbraw/zinc/14/06/60/1019140660.db2.gz ZEMXOFWQNDLSCB-UHFFFAOYSA-N -1 0 322.364 -0.519 20 0 DBADRM NS(=O)(=O)CCN1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001608260636 1019140449 /nfs/dbraw/zinc/14/04/49/1019140449.db2.gz QEWPKOVVDOJGGC-LLVKDONJSA-N -1 0 300.336 -0.205 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001608259080 1019140843 /nfs/dbraw/zinc/14/08/43/1019140843.db2.gz GBKLCQPMECTRFL-AEJSXWLSSA-N -1 0 304.368 -0.233 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])[nH]2)C1 ZINC001608259325 1019140998 /nfs/dbraw/zinc/14/09/98/1019140998.db2.gz IOGCHZWMSLNYNS-QMMMGPOBSA-N -1 0 315.351 -0.146 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)C1 ZINC001608259009 1019141197 /nfs/dbraw/zinc/14/11/97/1019141197.db2.gz DDIMVWSOCCJJHD-UHFFFAOYSA-N -1 0 302.352 -0.479 20 0 DBADRM NS(=O)(=O)CCN1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001608260640 1019141422 /nfs/dbraw/zinc/14/14/22/1019141422.db2.gz QEWPKOVVDOJGGC-NSHDSACASA-N -1 0 300.336 -0.205 20 0 DBADRM NS(=O)(=O)N1CCC(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001608261542 1019142726 /nfs/dbraw/zinc/14/27/26/1019142726.db2.gz WFFJDKIKIGPZNB-DTWKUNHWSA-N -1 0 319.383 -0.729 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)OCCCC(=O)C(=O)[O-])s1 ZINC001608261593 1019143492 /nfs/dbraw/zinc/14/34/92/1019143492.db2.gz NOEKCBAXRWUYSL-UHFFFAOYSA-N -1 0 321.332 -0.014 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2CC(=O)[O-])C1 ZINC001608261489 1019143869 /nfs/dbraw/zinc/14/38/69/1019143869.db2.gz UNTRDQFBKPZZDA-NXEZZACHSA-N -1 0 319.383 -0.632 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])cn1 ZINC001608261404 1019144384 /nfs/dbraw/zinc/14/43/84/1019144384.db2.gz IKMJEMYVUHQSMG-VIFPVBQESA-N -1 0 313.335 -0.288 20 0 DBADRM NS(=O)(=O)c1ccc(CN2CCC[C@@H](O)[C@H]2C(=O)[O-])s1 ZINC001608263490 1019144442 /nfs/dbraw/zinc/14/44/42/1019144442.db2.gz SSMGHDHPDSSJCG-SCZZXKLOSA-N -1 0 320.392 -0.195 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)o1 ZINC001608263498 1019144573 /nfs/dbraw/zinc/14/45/73/1019144573.db2.gz SXMGAWNLSFLPGG-SFYZADRCSA-N -1 0 304.324 -0.806 20 0 DBADRM NS(=O)(=O)NC[C@@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001608261723 1019144892 /nfs/dbraw/zinc/14/48/92/1019144892.db2.gz XDWRBGULJCEKNM-QMMMGPOBSA-N -1 0 315.355 -0.816 20 0 DBADRM NS(=O)(=O)c1ccsc1C(=O)NCC1(C(=O)[O-])CC1 ZINC001608264014 1019145068 /nfs/dbraw/zinc/14/50/68/1019145068.db2.gz LOLBDPPNTXBUFW-UHFFFAOYSA-N -1 0 304.349 -0.010 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H](CF)C(=O)[O-])c(F)c1 ZINC001608261440 1019145208 /nfs/dbraw/zinc/14/52/08/1019145208.db2.gz KPYNWDDBOLIEBD-MRVPVSSYSA-N -1 0 308.262 -0.374 20 0 DBADRM Nc1nccnc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001608277014 1019147071 /nfs/dbraw/zinc/14/70/71/1019147071.db2.gz CWVVWGROFZNCBT-FNCVBFRFSA-N -1 0 319.321 -0.844 20 0 DBADRM Nc1ncc(S(=O)(=O)NCc2ccc(C(=O)[O-])cn2)cn1 ZINC001608276529 1019147439 /nfs/dbraw/zinc/14/74/39/1019147439.db2.gz DJXAQJKJHPETCM-UHFFFAOYSA-N -1 0 309.307 -0.370 20 0 DBADRM Nc1nccnc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001608277017 1019147903 /nfs/dbraw/zinc/14/79/03/1019147903.db2.gz CWVVWGROFZNCBT-XSPKLOCKSA-N -1 0 319.321 -0.844 20 0 DBADRM NS(=O)(=O)c1cn(CC(=O)c2cccc(C(=O)[O-])c2)nn1 ZINC001608264405 1019148076 /nfs/dbraw/zinc/14/80/76/1019148076.db2.gz WBGCSJSUKRGHQH-UHFFFAOYSA-N -1 0 310.291 -0.493 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC001608277216 1019148242 /nfs/dbraw/zinc/14/82/42/1019148242.db2.gz FWFWBYVQXMIQTQ-VIFPVBQESA-N -1 0 304.310 -0.222 20 0 DBADRM Nc1c(-n2cccn2)ncnc1N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001608270535 1019148405 /nfs/dbraw/zinc/14/84/05/1019148405.db2.gz PHCMTMOUBKOXDP-BDAKNGLRSA-N -1 0 304.310 -0.484 20 0 DBADRM Nc1ccccc1S(=O)(=O)NCC(=O)NC1(C(=O)[O-])CC1 ZINC001608274738 1019148907 /nfs/dbraw/zinc/14/89/07/1019148907.db2.gz STHAWBBWKUKOTF-UHFFFAOYSA-N -1 0 313.335 -0.720 20 0 DBADRM Nc1c(C(=O)NC[C@H](O)C(=O)[O-])cnn1Cc1ccccc1 ZINC001608267044 1019149029 /nfs/dbraw/zinc/14/90/29/1019149029.db2.gz SBAXJLRDRZEBES-NSHDSACASA-N -1 0 304.306 -0.311 20 0 DBADRM Nc1nc(N)nc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)n1 ZINC001608276493 1019149170 /nfs/dbraw/zinc/14/91/70/1019149170.db2.gz BJQARMOLBCTVMQ-SECBINFHSA-N -1 0 306.248 -0.125 20 0 DBADRM Nc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1 ZINC001608273316 1019149256 /nfs/dbraw/zinc/14/92/56/1019149256.db2.gz KBIBDURLVIEPKH-WPRPVWTQSA-N -1 0 300.336 -0.275 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)/C=C\C1CC1 ZINC001608283191 1019151659 /nfs/dbraw/zinc/15/16/59/1019151659.db2.gz OYUWFSQMMQHMMK-BKGLOODYSA-N -1 0 310.350 -0.390 20 0 DBADRM O=C([O-])c1coc(CNC(=O)C[C@H]2C=CS(=O)(=O)C2)n1 ZINC001608291687 1019151698 /nfs/dbraw/zinc/15/16/98/1019151698.db2.gz HEZYOLJDXUESPK-SSDOTTSWSA-N -1 0 300.292 -0.063 20 0 DBADRM O=C(/C=C/[C@@H]1CCOC1)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001608282508 1019152703 /nfs/dbraw/zinc/15/27/03/1019152703.db2.gz XJKCZPCXKMBPRA-TXXBHVLJSA-N -1 0 317.363 -0.273 20 0 DBADRM O=C(/C=C/[C@@H]1CCCO1)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001608282692 1019152735 /nfs/dbraw/zinc/15/27/35/1019152735.db2.gz ZFNQLNYNHVQFTC-FSIBCCDJSA-N -1 0 317.363 -0.130 20 0 DBADRM Nc1nnn(CC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)n1 ZINC001608279286 1019153115 /nfs/dbraw/zinc/15/31/15/1019153115.db2.gz BJUAJUMHPPFEGQ-SECBINFHSA-N -1 0 312.236 -0.524 20 0 DBADRM O=C(CCN1CCOC1=O)NCC1(C(=O)[O-])CCOCC1 ZINC001608308862 1019154028 /nfs/dbraw/zinc/15/40/28/1019154028.db2.gz DFIFYSYHDFKVHV-UHFFFAOYSA-N -1 0 300.311 -0.174 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001608296284 1019154660 /nfs/dbraw/zinc/15/46/60/1019154660.db2.gz GWLIBNNMRRFEQE-UWVGGRQHSA-N -1 0 315.351 -0.723 20 0 DBADRM O=C(CC[C@H]1NC(=O)NC1=O)N[C@H](C(=O)[O-])c1cccnc1 ZINC001608303390 1019154771 /nfs/dbraw/zinc/15/47/71/1019154771.db2.gz BYWZVICZAXGLNZ-SCZZXKLOSA-N -1 0 306.278 -0.688 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)NC[C@H](O)c2c[nH]cn2)n1 ZINC001608306897 1019154869 /nfs/dbraw/zinc/15/48/69/1019154869.db2.gz UYKOKCAMADDKNU-NSHDSACASA-N -1 0 307.310 -0.066 20 0 DBADRM O=C([O-])c1coc(CNC(=O)C[C@@H]2CCCS2(=O)=O)n1 ZINC001608296608 1019154916 /nfs/dbraw/zinc/15/49/16/1019154916.db2.gz HLSSUJGHXTWDLR-ZETCQYMHSA-N -1 0 302.308 -0.044 20 0 DBADRM O=C([O-])c1c(OCCO)n[nH]c1NC(=O)C[C@H]1COC(=O)C1 ZINC001608296562 1019155263 /nfs/dbraw/zinc/15/52/63/1019155263.db2.gz IVBWOSKHNHWDJM-ZCFIWIBFSA-N -1 0 313.266 -0.629 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)CCC2CC2)C1 ZINC001608300078 1019156611 /nfs/dbraw/zinc/15/66/11/1019156611.db2.gz FYBWZSRVVOFGCW-GHMZBOCLSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC001608298821 1019156819 /nfs/dbraw/zinc/15/68/19/1019156819.db2.gz VDTLZNKRXAYCOH-NSHDSACASA-N -1 0 323.301 -0.018 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001608309514 1019158111 /nfs/dbraw/zinc/15/81/11/1019158111.db2.gz RJVJDAOATCZZHP-AEJSXWLSSA-N -1 0 312.322 -0.887 20 0 DBADRM O=C([O-])[C@@H](CC1CC1)NC(=O)CCN1C(=O)CCNC1=S ZINC001608309707 1019158522 /nfs/dbraw/zinc/15/85/22/1019158522.db2.gz WEBJZYKMFDOWGN-SECBINFHSA-N -1 0 313.379 -0.147 20 0 DBADRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001608324150 1019158665 /nfs/dbraw/zinc/15/86/65/1019158665.db2.gz RSJUDAUXSSMSOV-OTYXRUKQSA-N -1 0 307.306 -0.608 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)CCn2cccn2)n1 ZINC001608324071 1019158999 /nfs/dbraw/zinc/15/89/99/1019158999.db2.gz MRAVGNNZEUIJJD-UHFFFAOYSA-N -1 0 318.337 -0.198 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCC(=O)Nc2ccncc2)no1 ZINC001608311020 1019160153 /nfs/dbraw/zinc/16/01/53/1019160153.db2.gz BYZNDIIFCIDCQC-UHFFFAOYSA-N -1 0 304.262 -0.052 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)N[C@@H]1CC12CCOCC2 ZINC001608329992 1019161236 /nfs/dbraw/zinc/16/12/36/1019161236.db2.gz KXIZOUQRFCRYQF-GHMZBOCLSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])c1nc[nH]c1NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC001608326633 1019161571 /nfs/dbraw/zinc/16/15/71/1019161571.db2.gz WYFXDGVCWJXABH-UHFFFAOYSA-N -1 0 321.293 -0.089 20 0 DBADRM O=C([O-])c1ccc(NC(=O)CN2CCN(C(=O)CO)CC2)cc1 ZINC001608330154 1019162473 /nfs/dbraw/zinc/16/24/73/1019162473.db2.gz DSJIFRPTNUKDLL-UHFFFAOYSA-N -1 0 321.333 -0.540 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(CC(=O)Nc2ccon2)CC1 ZINC001608330182 1019162560 /nfs/dbraw/zinc/16/25/60/1019162560.db2.gz GGOYAMMBVWLIRO-VHSXEESVSA-N -1 0 322.321 -0.522 20 0 DBADRM O=C(CN1CCC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1)NC1CC1 ZINC001608326961 1019162889 /nfs/dbraw/zinc/16/28/89/1019162889.db2.gz IIMSAJFHFHPVEQ-RYUDHWBXSA-N -1 0 309.366 -0.434 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)CNC(=O)Cc1cccc(F)c1 ZINC001608337353 1019163563 /nfs/dbraw/zinc/16/35/63/1019163563.db2.gz DCHWTIZAWOZSDO-NSHDSACASA-N -1 0 312.297 -0.564 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CNC(=O)C1CC1)Cc1ccncc1 ZINC001608337311 1019163638 /nfs/dbraw/zinc/16/36/38/1019163638.db2.gz COWSNHFPKXCVTO-GFCCVEGCSA-N -1 0 305.334 -0.033 20 0 DBADRM O=C(CN1CCCCS1(=O)=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001608331632 1019163827 /nfs/dbraw/zinc/16/38/27/1019163827.db2.gz VXULOBNXYBZWMZ-YTWAJWBKSA-N -1 0 316.379 -0.363 20 0 DBADRM O=C(CN1CCOCC1=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001608336580 1019163878 /nfs/dbraw/zinc/16/38/78/1019163878.db2.gz VVOFWYSGHFFIKA-UHFFFAOYSA-N -1 0 308.294 -0.675 20 0 DBADRM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)CN1CCOCC1=O ZINC001608335965 1019163905 /nfs/dbraw/zinc/16/39/05/1019163905.db2.gz KZMXERPHUHKAQY-LBPRGKRZSA-N -1 0 324.308 -0.204 20 0 DBADRM O=C(CNC(=O)C1CC1)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001608337538 1019163938 /nfs/dbraw/zinc/16/39/38/1019163938.db2.gz IDJQZBISGCOCAR-SECBINFHSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C(CN1CCNCC1=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001608333837 1019164001 /nfs/dbraw/zinc/16/40/01/1019164001.db2.gz QTZLYZWDCLSCGZ-GFCCVEGCSA-N -1 0 311.382 -0.185 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)OCC(=O)N1CCCC1 ZINC001608334255 1019164209 /nfs/dbraw/zinc/16/42/09/1019164209.db2.gz ZDRRIWTUTKCNRW-JTQLQIEISA-N -1 0 312.322 -0.525 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001608331434 1019164467 /nfs/dbraw/zinc/16/44/67/1019164467.db2.gz RPTKDRHANHSIRT-QMMMGPOBSA-N -1 0 308.331 -0.517 20 0 DBADRM O=C([O-])[C@@]1(NCC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCOC1 ZINC001608339203 1019165829 /nfs/dbraw/zinc/16/58/29/1019165829.db2.gz NPJSKWHXOTUMMH-LALPHHSUSA-N -1 0 312.366 -0.010 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)CNC(=O)c1ccsc1 ZINC001608339708 1019166058 /nfs/dbraw/zinc/16/60/58/1019166058.db2.gz CUHJKITXURCIRX-SECBINFHSA-N -1 0 323.334 -0.661 20 0 DBADRM O=C([O-])C12CCC(C(=O)N3CCN(C(=O)CO)CC3)(CC1)C2 ZINC001608343714 1019166180 /nfs/dbraw/zinc/16/61/80/1019166180.db2.gz ZQXAMRVONGOIJH-UHFFFAOYSA-N -1 0 310.350 -0.315 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CNS(=O)(=O)c1cccnc1 ZINC001608340181 1019166395 /nfs/dbraw/zinc/16/63/95/1019166395.db2.gz XQMWIADNCXSLPN-PSASIEDQSA-N -1 0 313.335 -0.803 20 0 DBADRM O=C([O-])c1nc(CNC(=O)CCNC(=O)CO)ccc1Cl ZINC001608343284 1019167234 /nfs/dbraw/zinc/16/72/34/1019167234.db2.gz RATZBMGTHGNWJV-UHFFFAOYSA-N -1 0 315.713 -0.452 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC001608356053 1019169196 /nfs/dbraw/zinc/16/91/96/1019169196.db2.gz BHGFJEFXEKTZTQ-JTQLQIEISA-N -1 0 305.290 -0.358 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)Cc2cncnc2)C1 ZINC001608369995 1019169513 /nfs/dbraw/zinc/16/95/13/1019169513.db2.gz QTMMCOBTQKKATO-FIQHERPVSA-N -1 0 318.333 -0.497 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NC[C@@]2(OCCO)CCOC2)cn1 ZINC001608362776 1019169748 /nfs/dbraw/zinc/16/97/48/1019169748.db2.gz QXLKHQLKOXXIKI-HNNXBMFYSA-N -1 0 324.333 -0.394 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)Cc2ccon2)n1 ZINC001608369145 1019169946 /nfs/dbraw/zinc/16/99/46/1019169946.db2.gz NYANFIQZMYTCLW-UHFFFAOYSA-N -1 0 305.294 -0.254 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)Cc2cc[nH]n2)CC1 ZINC001608369258 1019170315 /nfs/dbraw/zinc/17/03/15/1019170315.db2.gz IMCQDRLCHKPWNL-NXEZZACHSA-N -1 0 306.322 -0.562 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)Cc2cc[nH]n2)CC1 ZINC001608369260 1019170387 /nfs/dbraw/zinc/17/03/87/1019170387.db2.gz IMCQDRLCHKPWNL-VHSXEESVSA-N -1 0 306.322 -0.562 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NCCCN2C(=O)CCC2=O)cn1 ZINC001608363020 1019170749 /nfs/dbraw/zinc/17/07/49/1019170749.db2.gz XTMRFJXTFNRFLX-UHFFFAOYSA-N -1 0 319.317 -0.022 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccon1 ZINC001608368887 1019170890 /nfs/dbraw/zinc/17/08/90/1019170890.db2.gz DRQQXOMBTSLSJH-OQEOFVATSA-N -1 0 319.317 -0.489 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)nn1 ZINC001608375356 1019173257 /nfs/dbraw/zinc/17/32/57/1019173257.db2.gz CJLKZULSEVUHNW-ZANVPECISA-N -1 0 310.310 -0.569 20 0 DBADRM O=C([O-])c1ccc(C(=O)Nc2cnn(CC(=O)NCCO)c2)[nH]1 ZINC001608376828 1019174956 /nfs/dbraw/zinc/17/49/56/1019174956.db2.gz HMQYFCJVHXJXRJ-UHFFFAOYSA-N -1 0 321.293 -0.730 20 0 DBADRM O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001608376971 1019175134 /nfs/dbraw/zinc/17/51/34/1019175134.db2.gz KEXYCFZVWUUEQM-IUCAKERBSA-N -1 0 311.294 -0.913 20 0 DBADRM O=C([O-])c1ccc2[nH]c(CNC(=O)Cn3ncnn3)nc2c1 ZINC001608381560 1019176258 /nfs/dbraw/zinc/17/62/58/1019176258.db2.gz OMOJRNOILINRNP-UHFFFAOYSA-N -1 0 301.266 -0.436 20 0 DBADRM O=C([O-])[C@@H](CCF)NC(=O)Cn1nnc2ccccc2c1=O ZINC001608383625 1019176531 /nfs/dbraw/zinc/17/65/31/1019176531.db2.gz PDYGCDPDBJATAD-SNVBAGLBSA-N -1 0 308.269 -0.280 20 0 DBADRM O=C([O-])c1nc[nH]c1NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001608382650 1019176805 /nfs/dbraw/zinc/17/68/05/1019176805.db2.gz HGUHLJKSFBNWHQ-UHFFFAOYSA-N -1 0 306.282 -0.559 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001608404240 1019178900 /nfs/dbraw/zinc/17/89/00/1019178900.db2.gz XYERTYWMORRYMX-PWSUYJOCSA-N -1 0 301.306 -0.343 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)c1cnc2cccnn21 ZINC001608402903 1019179339 /nfs/dbraw/zinc/17/93/39/1019179339.db2.gz KXRVGYKBFGAJIW-VIFPVBQESA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1cnc2n[nH]cc2c1 ZINC001608401925 1019179367 /nfs/dbraw/zinc/17/93/67/1019179367.db2.gz ORSLUWZLRDGAOH-VIFPVBQESA-N -1 0 301.266 -0.567 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1cccc2c1OCO2 ZINC001608401606 1019179769 /nfs/dbraw/zinc/17/97/69/1019179769.db2.gz LMQSFXBBRRBPES-VIFPVBQESA-N -1 0 304.262 -0.110 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC001608413086 1019181457 /nfs/dbraw/zinc/18/14/57/1019181457.db2.gz TVCURNCEHDUNHL-CABZTGNLSA-N -1 0 316.379 -0.118 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2cnon2)CC1 ZINC001608409775 1019181766 /nfs/dbraw/zinc/18/17/66/1019181766.db2.gz GFIMCYVPWFWGLN-DTWKUNHWSA-N -1 0 308.294 -0.489 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC001608407464 1019181840 /nfs/dbraw/zinc/18/18/40/1019181840.db2.gz IALUJGNXYNHUEX-NAKRPEOUSA-N -1 0 323.349 -0.765 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC001608407857 1019182331 /nfs/dbraw/zinc/18/23/31/1019182331.db2.gz GLXKZVNITNERDF-JTQLQIEISA-N -1 0 323.349 -0.811 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@H]2CCOC23CCOCC3)C1 ZINC001608413271 1019182402 /nfs/dbraw/zinc/18/24/02/1019182402.db2.gz SORGKCOKEDRGHY-VIFPVBQESA-N -1 0 300.311 -0.835 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)CNC(=O)c1cccc(O)c1 ZINC001608414338 1019182672 /nfs/dbraw/zinc/18/26/72/1019182672.db2.gz AMMQPOKVVZXKLC-YPMHNXCESA-N -1 0 322.317 -0.442 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C1 ZINC001608411914 1019183116 /nfs/dbraw/zinc/18/31/16/1019183116.db2.gz BCCGNBQYSLPVGY-SNVBAGLBSA-N -1 0 314.338 -0.445 20 0 DBADRM O=C([O-])[C@H]1CCc2sc(NC(=O)NC[C@@H](O)CO)nc2C1 ZINC001608425122 1019184458 /nfs/dbraw/zinc/18/44/58/1019184458.db2.gz SHLJSBFGXSWEKP-NKWVEPMBSA-N -1 0 315.351 -0.193 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ccncn2)CC1 ZINC001608430561 1019184889 /nfs/dbraw/zinc/18/48/89/1019184889.db2.gz NZBUOYLQFPTEPT-BDAKNGLRSA-N -1 0 304.306 -0.424 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)c2ccc(-c3nn[nH]n3)cn2)CCOC1 ZINC001608430718 1019184920 /nfs/dbraw/zinc/18/49/20/1019184920.db2.gz SLJMXEVEAWGSQE-CYBMUJFWSA-N -1 0 318.293 -0.517 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)c2cn(C3CCOCC3)nn2)CCOC1 ZINC001608430379 1019185252 /nfs/dbraw/zinc/18/52/52/1019185252.db2.gz OYYWOXUEJZGEAF-CQSZACIVSA-N -1 0 324.337 -0.149 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)NC[C@]1(O)CCOC1 ZINC001608429498 1019185555 /nfs/dbraw/zinc/18/55/55/1019185555.db2.gz CLQWUSFHNFLVHG-GFCCVEGCSA-N -1 0 314.319 -0.348 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CNC(=O)c2cnon2)C2CC2)n1 ZINC001608425487 1019185567 /nfs/dbraw/zinc/18/55/67/1019185567.db2.gz YRANJSWTOSEUES-MRVPVSSYSA-N -1 0 318.293 -0.400 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)c2cscn2)n1 ZINC001608425577 1019185903 /nfs/dbraw/zinc/18/59/03/1019185903.db2.gz ZYMPJCIUQCZEKU-SSDOTTSWSA-N -1 0 323.334 -0.744 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2cnsn2)CC1 ZINC001608429303 1019186378 /nfs/dbraw/zinc/18/63/78/1019186378.db2.gz ANNNWZVYRDVEKJ-RNFRBKRXSA-N -1 0 310.335 -0.363 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(O)(CNC(=O)C(F)F)CC1 ZINC001608430954 1019186457 /nfs/dbraw/zinc/18/64/57/1019186457.db2.gz SIXNTNHGOZWQAH-YUMQZZPRSA-N -1 0 320.292 -0.558 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCNC(=O)c2ccn[nH]2)cn1 ZINC001608446032 1019190480 /nfs/dbraw/zinc/19/04/80/1019190480.db2.gz WWAAXXMKGMMSOP-UHFFFAOYSA-N -1 0 303.278 -0.337 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCCCOC(F)F)C1 ZINC001608444151 1019190579 /nfs/dbraw/zinc/19/05/79/1019190579.db2.gz JWMZKLWZHLCBOP-SFYZADRCSA-N -1 0 324.280 -0.974 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)NCCC1CS(=O)(=O)C1)C2 ZINC001608443393 1019190619 /nfs/dbraw/zinc/19/06/19/1019190619.db2.gz YASJNBIHXLEUHR-NRUUGDAUSA-N -1 0 316.379 -0.026 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC001608450345 1019190739 /nfs/dbraw/zinc/19/07/39/1019190739.db2.gz RNKDMKCYIYVRET-NSHDSACASA-N -1 0 309.322 -0.184 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NCCOc1ccccc1F ZINC001608449286 1019190747 /nfs/dbraw/zinc/19/07/47/1019190747.db2.gz MPIVKDWIECJOTO-VIFPVBQESA-N -1 0 316.260 -0.140 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001608450882 1019191016 /nfs/dbraw/zinc/19/10/16/1019191016.db2.gz ISANURCTDOAVDT-NSHDSACASA-N -1 0 320.301 -0.095 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCNC(=O)C2CC2)cc1 ZINC001608446509 1019191065 /nfs/dbraw/zinc/19/10/65/1019191065.db2.gz UJSVAMCSBNZWQD-UHFFFAOYSA-N -1 0 319.317 -0.034 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC001608449692 1019191116 /nfs/dbraw/zinc/19/11/16/1019191116.db2.gz AOSMSVGHYAKPCS-PWSUYJOCSA-N -1 0 321.333 -0.618 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001608450564 1019191416 /nfs/dbraw/zinc/19/14/16/1019191416.db2.gz YOAUWSVMGSKJQU-BDAKNGLRSA-N -1 0 305.352 -0.847 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCC2CCC(O)CC2)nn1 ZINC001608455635 1019191504 /nfs/dbraw/zinc/19/15/04/1019191504.db2.gz AGDPFTAQGOYRGW-UHFFFAOYSA-N -1 0 311.342 -0.173 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCC[C@H](n2ccnc2)C1 ZINC001608458136 1019192655 /nfs/dbraw/zinc/19/26/55/1019192655.db2.gz XSRHPOQOUVECOY-UWVGGRQHSA-N -1 0 312.301 -0.415 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001608459754 1019192676 /nfs/dbraw/zinc/19/26/76/1019192676.db2.gz PTPKOYSJYHGZRJ-QMMMGPOBSA-N -1 0 323.273 -0.142 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1c(C(F)F)nc2cnccn21 ZINC001608459635 1019192809 /nfs/dbraw/zinc/19/28/09/1019192809.db2.gz KBODZDUQMSGBTI-YFKPBYRVSA-N -1 0 300.221 -0.158 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC001608456765 1019192945 /nfs/dbraw/zinc/19/29/45/1019192945.db2.gz BKRZCCQERBVJQL-AXTSPUMRSA-N -1 0 314.313 -0.401 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001608487402 1019195594 /nfs/dbraw/zinc/19/55/94/1019195594.db2.gz UVMZJCKXFXJDCW-JOYOIKCWSA-N -1 0 303.322 -0.019 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)N1CCC(CO)CC1)C2 ZINC001608491411 1019195635 /nfs/dbraw/zinc/19/56/35/1019195635.db2.gz DOPNESRLTASTMU-ZETOZRRWSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001608488525 1019195755 /nfs/dbraw/zinc/19/57/55/1019195755.db2.gz ZKPQQWUASWQPKU-DTWKUNHWSA-N -1 0 303.336 -0.831 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)C(=O)N3CC[C@@]4(O)C[C@H]4C3)[C@@H]2C1 ZINC001608492550 1019195810 /nfs/dbraw/zinc/19/58/10/1019195810.db2.gz KSFNLIZXRAQBNU-BLSMUDBTSA-N -1 0 322.361 -0.415 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H]2CNOC2)Cc2ccccc21 ZINC001608492321 1019195896 /nfs/dbraw/zinc/19/58/96/1019195896.db2.gz ZKYHPSJPELEOQH-JQWIXIFHSA-N -1 0 319.317 -0.783 20 0 DBADRM O=C(N[C@H]1[C@@H]2COC[C@@H]21)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001608488676 1019196983 /nfs/dbraw/zinc/19/69/83/1019196983.db2.gz VUVBWESNYKNOAH-QSJCVTFJSA-N -1 0 308.334 -0.397 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)C1 ZINC001608491047 1019197287 /nfs/dbraw/zinc/19/72/87/1019197287.db2.gz PBWNZEVFEYMRRX-DBIOUOCHSA-N -1 0 316.379 -0.074 20 0 DBADRM O=C([O-])c1nccc(N2C[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)n1 ZINC001608487400 1019197417 /nfs/dbraw/zinc/19/74/17/1019197417.db2.gz FYLHUXDSHIMCEM-APPZFPTMSA-N -1 0 319.277 -0.858 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2ccncn2)C1 ZINC001608492047 1019197639 /nfs/dbraw/zinc/19/76/39/1019197639.db2.gz SELOLZLZSRMDAP-VLEAKVRGSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)[C@@H]1CCCn2ncnc21 ZINC001608534588 1019201413 /nfs/dbraw/zinc/20/14/13/1019201413.db2.gz FVMUPROQGJMPIK-BDAKNGLRSA-N -1 0 310.310 -0.512 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NS(=O)(=O)[C@@H]1CCOC1 ZINC001608533356 1019201680 /nfs/dbraw/zinc/20/16/80/1019201680.db2.gz BMYHNZMUKHWOLR-RKDXNWHRSA-N -1 0 309.340 -0.699 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NS(=O)(=O)c1ccns1 ZINC001608535544 1019202099 /nfs/dbraw/zinc/20/20/99/1019202099.db2.gz JPLPCLVJQVHIQI-ZCFIWIBFSA-N -1 0 308.337 -0.362 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(S(=O)(=O)c2ccns2)CC1 ZINC001608557799 1019203666 /nfs/dbraw/zinc/20/36/66/1019203666.db2.gz OEBJHRUYWCXLNA-SECBINFHSA-N -1 0 306.365 -0.011 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(S(=O)(=O)C[C@H]2CCCOC2)CC1 ZINC001608559099 1019203751 /nfs/dbraw/zinc/20/37/51/1019203751.db2.gz YRHUTQSRRZVUJT-JQWIXIFHSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(S(=O)(=O)N2CCCOCC2)CC1 ZINC001608556688 1019205634 /nfs/dbraw/zinc/20/56/34/1019205634.db2.gz FAMRTTPOOJSJGQ-NSHDSACASA-N -1 0 322.383 -0.889 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCC(CO)(CO)CC2)CC1 ZINC001608570439 1019207121 /nfs/dbraw/zinc/20/71/21/1019207121.db2.gz IXZJPTOXHMZQLN-UHFFFAOYSA-N -1 0 307.368 -0.752 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)C[C@@H]2CCC3(CCC3)O2)C1 ZINC001608579455 1019207386 /nfs/dbraw/zinc/20/73/86/1019207386.db2.gz YDBUOWUJPZXSKA-GXFFZTMASA-N -1 0 319.379 -0.061 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCSC[C@H]2CCO)CC1 ZINC001608572478 1019208288 /nfs/dbraw/zinc/20/82/88/1019208288.db2.gz ITNLHMOSPOLRBN-SECBINFHSA-N -1 0 309.409 -0.019 20 0 DBADRM O=C([O-])C1(O)CN(c2cc(N3CCC[C@@H](CO)C3)ncn2)C1 ZINC001608580043 1019209411 /nfs/dbraw/zinc/20/94/11/1019209411.db2.gz XHDBTDGJPTVLNP-SNVBAGLBSA-N -1 0 308.338 -0.679 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CC[C@@H](c3nnc[nH]3)C2)CCC1 ZINC001608579711 1019209647 /nfs/dbraw/zinc/20/96/47/1019209647.db2.gz QJBHWOXRLGHODR-MRVPVSSYSA-N -1 0 300.340 -0.069 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)N=S2(=O)CCCC2)C1 ZINC001608578894 1019209997 /nfs/dbraw/zinc/20/99/97/1019209997.db2.gz OVVODZDINSVHKY-SECBINFHSA-N -1 0 312.369 -0.986 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CCO[C@@H](C(F)F)C2)C1 ZINC001608586155 1019211175 /nfs/dbraw/zinc/21/11/75/1019211175.db2.gz HRIFTKAGDVNTLF-DTWKUNHWSA-N -1 0 318.276 -0.232 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)C(=O)N3C4CCC3CC4)C2)C1 ZINC001608592347 1019213637 /nfs/dbraw/zinc/21/36/37/1019213637.db2.gz ZQNKCMWKNAJKPL-HEEBCNDISA-N -1 0 321.333 -0.028 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CCO[C@H](C(F)F)C2)C1 ZINC001608586157 1019213665 /nfs/dbraw/zinc/21/36/65/1019213665.db2.gz HRIFTKAGDVNTLF-IUCAKERBSA-N -1 0 318.276 -0.232 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2c[nH]cc(Cl)c2=O)C1 ZINC001608602467 1019216221 /nfs/dbraw/zinc/21/62/21/1019216221.db2.gz UFENVWPBIFYFKC-RNFRBKRXSA-N -1 0 300.698 -0.064 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@@H]2CCCN(C3CC3)C2=O)C1 ZINC001608601049 1019216250 /nfs/dbraw/zinc/21/62/50/1019216250.db2.gz IJZSXIVSUMLRIY-JLLWLGSASA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)CSc2nncs2)C1 ZINC001608602015 1019216313 /nfs/dbraw/zinc/21/63/13/1019216313.db2.gz OAVVOSIRXMZFEQ-RQJHMYQMSA-N -1 0 303.365 -0.076 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001608597825 1019217043 /nfs/dbraw/zinc/21/70/43/1019217043.db2.gz ZLOONQLRZRENMN-DYEKYZERSA-N -1 0 312.366 -0.466 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)CCCCN1CCOCC1 ZINC001608598474 1019217055 /nfs/dbraw/zinc/21/70/55/1019217055.db2.gz XCJWAEZNDAQDOE-GXTWGEPZSA-N -1 0 314.382 -0.075 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)Cn2cccn2)CC1 ZINC001608609614 1019217829 /nfs/dbraw/zinc/21/78/29/1019217829.db2.gz BGXQXRYKVNQBRM-VXGBXAGGSA-N -1 0 320.349 -0.335 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)NCc2nnnn2CC2CC2)C1 ZINC001608605380 1019218935 /nfs/dbraw/zinc/21/89/35/1019218935.db2.gz PZBUXCRPLHUYSW-UWVGGRQHSA-N -1 0 324.341 -0.940 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)Cc1ccc[nH]1 ZINC001608609561 1019219374 /nfs/dbraw/zinc/21/93/74/1019219374.db2.gz CARSLJDXRAVWAZ-NEPJUHHUSA-N -1 0 323.349 -0.785 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)CCCn2ccccc2=O)C1 ZINC001608603760 1019219697 /nfs/dbraw/zinc/21/96/97/1019219697.db2.gz ZYBQJBBQWZBHLB-NWDGAFQWSA-N -1 0 308.334 -0.078 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001608609568 1019219956 /nfs/dbraw/zinc/21/99/56/1019219956.db2.gz CDBCSIRJWSHXRB-FNCVBFRFSA-N -1 0 309.326 -0.785 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(C(=O)c1nc3n(n1)CCCN3)CC2 ZINC001608609090 1019220258 /nfs/dbraw/zinc/22/02/58/1019220258.db2.gz LIEHYFWZMLFKNB-SECBINFHSA-N -1 0 305.338 -0.322 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 ZINC001608610986 1019220970 /nfs/dbraw/zinc/22/09/70/1019220970.db2.gz MFUIFSSAZPTBJL-VXGBXAGGSA-N -1 0 319.317 -0.675 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc[nH]1 ZINC001608610658 1019221601 /nfs/dbraw/zinc/22/16/01/1019221601.db2.gz JZKCALSGFMTWOD-ZRUFSTJUSA-N -1 0 318.333 -0.054 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cnsn2)CC1 ZINC001608610062 1019221694 /nfs/dbraw/zinc/22/16/94/1019221694.db2.gz GEEJHJUYIYDXOZ-YUMQZZPRSA-N -1 0 310.335 -0.457 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1ccccn1 ZINC001608610985 1019221833 /nfs/dbraw/zinc/22/18/33/1019221833.db2.gz OQNMTFCGJOVBMF-MNOVXSKESA-N -1 0 321.333 -0.647 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)Cn2ccnc2)CC1 ZINC001608610707 1019221901 /nfs/dbraw/zinc/22/19/01/1019221901.db2.gz KUDVTGBLBOHGSC-NEPJUHHUSA-N -1 0 320.349 -0.289 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)Cc2cccnc2)C1 ZINC001608610694 1019222039 /nfs/dbraw/zinc/22/20/39/1019222039.db2.gz KRTXYWJFRFYZLR-VXGBXAGGSA-N -1 0 303.318 -0.328 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]n1 ZINC001608610092 1019222078 /nfs/dbraw/zinc/22/20/78/1019222078.db2.gz GTPKKMDHOGSBQL-VLEAKVRGSA-N -1 0 318.333 -0.054 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)Cc2cnc[nH]2)C1 ZINC001608610963 1019222493 /nfs/dbraw/zinc/22/24/93/1019222493.db2.gz MASDVIFYQZXOKD-QWRGUYRKSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001608612004 1019224692 /nfs/dbraw/zinc/22/46/92/1019224692.db2.gz XIEVXNSODNNDQU-BXWBVBFNSA-N -1 0 322.361 -0.390 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)Cn2cccn2)CC1 ZINC001608611437 1019225163 /nfs/dbraw/zinc/22/51/63/1019225163.db2.gz POYXYLVNCGGBEE-RYUDHWBXSA-N -1 0 320.349 -0.289 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cnns3)C[C@H]21 ZINC001608611469 1019226035 /nfs/dbraw/zinc/22/60/35/1019226035.db2.gz RQQILIDWCHNOFY-APLZJWDSSA-N -1 0 308.363 -0.195 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)c2cn[nH]c2)CC1 ZINC001608611689 1019226070 /nfs/dbraw/zinc/22/60/70/1019226070.db2.gz QSCJIPFBNXVZGF-QWRGUYRKSA-N -1 0 306.322 -0.195 20 0 DBADRM O=C([O-])C1CC2(C1)CN(C(=O)[C@]1(F)CC[NH2+]C1)C[C@@H]2C(=O)[O-] ZINC001608611837 1019226260 /nfs/dbraw/zinc/22/62/60/1019226260.db2.gz VKYXSJZVBDFATN-FFNZQJFKSA-N -1 0 314.313 -0.288 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)Cn2ccnc2)C1 ZINC001608611613 1019226655 /nfs/dbraw/zinc/22/66/55/1019226655.db2.gz PXMNSEYZOHNKES-WDEREUQCSA-N -1 0 306.322 -0.822 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]2C(=O)N(C[C@@H]3CCCNC3=O)C(=O)N2C1 ZINC001608620913 1019227688 /nfs/dbraw/zinc/22/76/88/1019227688.db2.gz VSANGCJRPRBPAS-IVZWLZJFSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCOC2(CN(C(=O)C(F)F)C2)C1 ZINC001608612378 1019227882 /nfs/dbraw/zinc/22/78/82/1019227882.db2.gz VEJXEFISLCYEAE-YUMQZZPRSA-N -1 0 318.276 -0.588 20 0 DBADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(CCO)CCOCCO)C1 ZINC001608620860 1019228304 /nfs/dbraw/zinc/22/83/04/1019228304.db2.gz UJEDMPBECDOPTM-NEPJUHHUSA-N -1 0 303.355 -0.293 20 0 DBADRM O=C([O-])C1CC2(C1)C[C@H](NS(=O)(=O)N1CCC1)CCO2 ZINC001608614799 1019228515 /nfs/dbraw/zinc/22/85/15/1019228515.db2.gz QWDUVMFJSRVQRP-SQLBVSGCSA-N -1 0 304.368 -0.061 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2C1 ZINC001608612310 1019228738 /nfs/dbraw/zinc/22/87/38/1019228738.db2.gz USZQGLSHUJRZCY-ZRUFSTJUSA-N -1 0 318.333 -0.339 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2cnon2)CC1 ZINC001608612067 1019229295 /nfs/dbraw/zinc/22/92/95/1019229295.db2.gz SKRYZAYBHCWYKV-BDAKNGLRSA-N -1 0 308.294 -0.489 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1=O ZINC001608628796 1019230533 /nfs/dbraw/zinc/23/05/33/1019230533.db2.gz IDGFSOAKGZOIJQ-QCNOEVLYSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](CO)[C@@H]1CCOC1 ZINC001608626811 1019231663 /nfs/dbraw/zinc/23/16/63/1019231663.db2.gz NGGBTTGJYJPUIZ-KKOKHZNYSA-N -1 0 321.395 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCC[C@@](O)(CO)C1 ZINC001608626929 1019231771 /nfs/dbraw/zinc/23/17/71/1019231771.db2.gz PHBKWXSCMNXQTP-MDZLAQPJSA-N -1 0 321.395 -0.221 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@@H](n3cccn3)C2)C1=O ZINC001608629789 1019231906 /nfs/dbraw/zinc/23/19/06/1019231906.db2.gz SCUMVBIRAJFZAT-VXGBXAGGSA-N -1 0 320.349 -0.020 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCC[C@@](O)(CO)C1 ZINC001608626932 1019232031 /nfs/dbraw/zinc/23/20/31/1019232031.db2.gz PHBKWXSCMNXQTP-WZRBSPASSA-N -1 0 321.395 -0.221 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC001608630753 1019232327 /nfs/dbraw/zinc/23/23/27/1019232327.db2.gz ZKPQPQKESMMBAW-RDDDGLTNSA-N -1 0 324.255 -0.555 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2C[C@@H](O)CC(F)(F)C2)C1=O ZINC001608628593 1019232454 /nfs/dbraw/zinc/23/24/54/1019232454.db2.gz GKQBNAMNYBYEDF-IUCAKERBSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)NCCCOCCO ZINC001608626100 1019232777 /nfs/dbraw/zinc/23/27/77/1019232777.db2.gz FXCDOAXYKJNIBF-MNOVXSKESA-N -1 0 309.384 -0.052 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1CC(c2ccccn2)=NO1 ZINC001608646677 1019233336 /nfs/dbraw/zinc/23/33/36/1019233336.db2.gz SOXSDTOFGKJZEZ-NWDGAFQWSA-N -1 0 305.290 -0.113 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@@H](O)[C@H]2CCCO2)CC1 ZINC001608635692 1019234103 /nfs/dbraw/zinc/23/41/03/1019234103.db2.gz WECDWCZGILXGGS-GHMZBOCLSA-N -1 0 322.383 -0.843 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@H](O)[C@H]2CCCO2)CC1 ZINC001608635695 1019234260 /nfs/dbraw/zinc/23/42/60/1019234260.db2.gz WECDWCZGILXGGS-WDEREUQCSA-N -1 0 322.383 -0.843 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1cc2n(n1)CCCC2 ZINC001608648276 1019236038 /nfs/dbraw/zinc/23/60/38/1019236038.db2.gz VMHHSSDLLGDSEX-GFCCVEGCSA-N -1 0 313.379 -0.097 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1cccc(O)c1 ZINC001608647733 1019236350 /nfs/dbraw/zinc/23/63/50/1019236350.db2.gz UCEAGXQPATUUHK-NSHDSACASA-N -1 0 313.331 -0.355 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC001608675018 1019236713 /nfs/dbraw/zinc/23/67/13/1019236713.db2.gz AVDVGVKTEBOSHD-KWQFWETISA-N -1 0 308.290 -0.272 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)N1CCc2c1cccc2F ZINC001608674460 1019236892 /nfs/dbraw/zinc/23/68/92/1019236892.db2.gz UWSGRFHNFGYMFW-MRVPVSSYSA-N -1 0 310.281 -0.333 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC001608674978 1019236983 /nfs/dbraw/zinc/23/69/83/1019236983.db2.gz AIWBSJGXFHSFFH-MLGOLLRUSA-N -1 0 320.345 -0.214 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21)C1CC1 ZINC001608664864 1019238082 /nfs/dbraw/zinc/23/80/82/1019238082.db2.gz MSKOBQNQEAKYPL-FMCLSXCISA-N -1 0 324.377 -0.025 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)CN1CCNCC1=O)c1cccs1 ZINC001608670495 1019238280 /nfs/dbraw/zinc/23/82/80/1019238280.db2.gz GZNSFCPKJPHJQW-SECBINFHSA-N -1 0 311.363 -0.188 20 0 DBADRM O=C([O-])C[C@H](NC(=O)CCN1C(=O)CCNC1=S)C1CC1 ZINC001608669898 1019238356 /nfs/dbraw/zinc/23/83/56/1019238356.db2.gz ICOYNYDKQFLCHH-VIFPVBQESA-N -1 0 313.379 -0.147 20 0 DBADRM O=C([O-])CC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC001608664440 1019238471 /nfs/dbraw/zinc/23/84/71/1019238471.db2.gz VIBIXANELAVOTL-JTQLQIEISA-N -1 0 322.317 -0.098 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCc2nnc3n2CCC3)CC1 ZINC001608681950 1019239476 /nfs/dbraw/zinc/23/94/76/1019239476.db2.gz XQSDLTNQDDHUCA-UHFFFAOYSA-N -1 0 314.367 -0.101 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NC[C@H](CO)[C@@H]2CCOC2)CC1 ZINC001608681343 1019239581 /nfs/dbraw/zinc/23/95/81/1019239581.db2.gz PIEWFLDRWRDTJE-GHMZBOCLSA-N -1 0 321.395 -0.194 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001608681188 1019239724 /nfs/dbraw/zinc/23/97/24/1019239724.db2.gz KGRCBLKNDFLTMG-SNVBAGLBSA-N -1 0 316.379 -0.122 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)CC1 ZINC001608681541 1019239866 /nfs/dbraw/zinc/23/98/66/1019239866.db2.gz VGLBBIAJKYYILM-UWVGGRQHSA-N -1 0 307.368 -0.896 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC001608675763 1019239890 /nfs/dbraw/zinc/23/98/90/1019239890.db2.gz KLRSFWZHWQOZAA-MRVPVSSYSA-N -1 0 309.278 -0.025 20 0 DBADRM O=C([O-])CC1(NC(=O)CC2(O)CCC2)CCS(=O)(=O)CC1 ZINC001608683150 1019240054 /nfs/dbraw/zinc/24/00/54/1019240054.db2.gz HIHVJYNGPDTPDJ-UHFFFAOYSA-N -1 0 319.379 -0.170 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)c1cccc(Cn2ccnn2)c1 ZINC001608676050 1019240075 /nfs/dbraw/zinc/24/00/75/1019240075.db2.gz UTOBESSPNMOCOF-GFCCVEGCSA-N -1 0 304.306 -0.108 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC001608681288 1019240123 /nfs/dbraw/zinc/24/01/23/1019240123.db2.gz NMDZHWOMSFRBHM-MXWKQRLJSA-N -1 0 319.379 -0.035 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)CCOCC1CCCC1 ZINC001608676156 1019240683 /nfs/dbraw/zinc/24/06/83/1019240683.db2.gz WWZQKDVKPMAWEZ-LLVKDONJSA-N -1 0 309.384 -0.052 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)CCN2CCOCC2)CCCOC1 ZINC001608683164 1019241209 /nfs/dbraw/zinc/24/12/09/1019241209.db2.gz ICWIWSZNUZIQAM-CQSZACIVSA-N -1 0 300.355 -0.151 20 0 DBADRM O=C([O-])C[C@]1(NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)CCOC1 ZINC001608688408 1019242669 /nfs/dbraw/zinc/24/26/69/1019242669.db2.gz LIJSAGJTIOKQOU-BTQIBKBOSA-N -1 0 305.352 -0.141 20 0 DBADRM O=C([O-])CC1(NS(=O)(=O)CCn2ccnc2)CCOCC1 ZINC001608688419 1019243381 /nfs/dbraw/zinc/24/33/81/1019243381.db2.gz LSDBLUOTXDCQEG-UHFFFAOYSA-N -1 0 317.367 -0.174 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CCCNC(=O)C1CC1 ZINC001608689421 1019243628 /nfs/dbraw/zinc/24/36/28/1019243628.db2.gz VNQXEOZPDMTEJY-SNVBAGLBSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cn1ccc(C(F)F)n1 ZINC001608689916 1019243805 /nfs/dbraw/zinc/24/38/05/1019243805.db2.gz RTCRVKFGPJODMP-QMMMGPOBSA-N -1 0 316.264 -0.378 20 0 DBADRM O=C([O-])CC1CC(NC(=O)NCc2nnc3n2CCNC3=O)C1 ZINC001608692203 1019245190 /nfs/dbraw/zinc/24/51/90/1019245190.db2.gz SEHDFWVLSACMQK-UHFFFAOYSA-N -1 0 322.325 -0.926 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC001608698378 1019245407 /nfs/dbraw/zinc/24/54/07/1019245407.db2.gz CGAOIVCLZDOUNE-VHSXEESVSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001608696383 1019245836 /nfs/dbraw/zinc/24/58/36/1019245836.db2.gz VRYZHUBVIWZDBZ-IUCAKERBSA-N -1 0 323.309 -0.534 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC001608699321 1019245901 /nfs/dbraw/zinc/24/59/01/1019245901.db2.gz JPHHFOLAUIPXAI-MNOVXSKESA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cn2)CCO1 ZINC001608698852 1019246377 /nfs/dbraw/zinc/24/63/77/1019246377.db2.gz PWVRSHULXGRQPF-SECBINFHSA-N -1 0 311.269 -0.139 20 0 DBADRM O=C([O-])CC1CC(NC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001608691834 1019246502 /nfs/dbraw/zinc/24/65/02/1019246502.db2.gz WZQVVNAYZUADPX-KWPJZBAWSA-N -1 0 320.367 -0.912 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccnc3[nH]c(=O)[nH]c32)CCO1 ZINC001608700237 1019246718 /nfs/dbraw/zinc/24/67/18/1019246718.db2.gz BBLUHQADOLQGRB-SSDOTTSWSA-N -1 0 306.278 -0.021 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC001608698379 1019246726 /nfs/dbraw/zinc/24/67/26/1019246726.db2.gz CGAOIVCLZDOUNE-ZJUUUORDSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)Nc2ccc[n+]([O-])c2)C1=O ZINC001574723197 1019247282 /nfs/dbraw/zinc/24/72/82/1019247282.db2.gz AZYUDWBOAWWDQY-NSHDSACASA-N -1 0 322.321 -0.093 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CC[C@@](O)(C2CC2)C1 ZINC001574730851 1019248288 /nfs/dbraw/zinc/24/82/88/1019248288.db2.gz LQQIAFCWLUYNSP-AWEZNQCLSA-N -1 0 316.354 -0.339 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1C[C@H](CCO)[C@H](CO)C1 ZINC001608711863 1019248076 /nfs/dbraw/zinc/24/80/76/1019248076.db2.gz IECIQXDIMQFCDP-RYUDHWBXSA-N -1 0 323.411 -0.116 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1cccc2n[nH]nc21 ZINC001574732167 1019248570 /nfs/dbraw/zinc/24/85/70/1019248570.db2.gz ZMWUSJIPALRNRZ-UHFFFAOYSA-N -1 0 308.294 -0.195 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1n[nH]cc1F ZINC001608703105 1019248672 /nfs/dbraw/zinc/24/86/72/1019248672.db2.gz KOWBUSPSIOQEFH-LURJTMIESA-N -1 0 305.287 -0.737 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCC=CO1 ZINC001608702635 1019249081 /nfs/dbraw/zinc/24/90/81/1019249081.db2.gz VIKWCHBLZYLTJC-VHSXEESVSA-N -1 0 303.336 -0.221 20 0 DBADRM O=C([O-])CCN(C(=O)CN1CCOCC1=O)C1CCOCC1 ZINC001608720524 1019249860 /nfs/dbraw/zinc/24/98/60/1019249860.db2.gz WBYCBRXDHCTKGD-UHFFFAOYSA-N -1 0 314.338 -0.673 20 0 DBADRM O=C([O-])CCCc1nc(CN2CCN3C(=O)NC[C@H]3C2)no1 ZINC001608719208 1019250570 /nfs/dbraw/zinc/25/05/70/1019250570.db2.gz FJMOQWRASZVQPV-VIFPVBQESA-N -1 0 309.326 -0.314 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](OC(=O)c2cc3n(n2)CCO3)C1=O ZINC001608726491 1019252216 /nfs/dbraw/zinc/25/22/16/1019252216.db2.gz PONSNOSAKWKWSD-SNVBAGLBSA-N -1 0 323.305 -0.102 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CC[C@@H](NC(=O)NC3CC3)C2)C1=O ZINC001608723573 1019252776 /nfs/dbraw/zinc/25/27/76/1019252776.db2.gz UDYKSJUXAHTHLM-NEPJUHHUSA-N -1 0 324.381 -0.402 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)COC2CCOCC2)C1=O ZINC001608723966 1019252967 /nfs/dbraw/zinc/25/29/67/1019252967.db2.gz CGSVMLKJXDWWHK-NSHDSACASA-N -1 0 315.322 -0.199 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCO[C@@H](C(F)F)C1 ZINC001608727327 1019253246 /nfs/dbraw/zinc/25/32/46/1019253246.db2.gz MJMMCAXYOBJGRN-MRVPVSSYSA-N -1 0 323.296 -0.357 20 0 DBADRM O=C([O-])CCN1CC[C@@H]([NH+]2CCC(c3n[nH]c(=O)[n-]3)CC2)C1=O ZINC001608723291 1019253533 /nfs/dbraw/zinc/25/35/33/1019253533.db2.gz LJBSHLKKFPFMBN-SNVBAGLBSA-N -1 0 323.353 -0.235 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC001608727316 1019254453 /nfs/dbraw/zinc/25/44/53/1019254453.db2.gz LTOWNMQYGKURHJ-GHMZBOCLSA-N -1 0 313.354 -0.355 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)C1CN(CC(F)F)C1 ZINC001608727483 1019254653 /nfs/dbraw/zinc/25/46/53/1019254653.db2.gz RORKAYQIIVOXQA-UHFFFAOYSA-N -1 0 307.297 -0.720 20 0 DBADRM O=C([O-])CC[C@H]1NC(=O)N(CCNC(=O)c2ccco2)C1=O ZINC001608736866 1019255639 /nfs/dbraw/zinc/25/56/39/1019255639.db2.gz CLFQZUGHPDVINW-MRVPVSSYSA-N -1 0 309.278 -0.205 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@@H]1CCCn2nccc21 ZINC001608727731 1019255711 /nfs/dbraw/zinc/25/57/11/1019255711.db2.gz ASUHPKYYNWEVFZ-SNVBAGLBSA-N -1 0 323.353 -0.002 20 0 DBADRM Cn1ncc(C(F)(F)F)c1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC001574784770 1019256882 /nfs/dbraw/zinc/25/68/82/1019256882.db2.gz XUBVSYNQSRCXKV-YFKPBYRVSA-N -1 0 317.245 -0.837 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCC1CCC(O)CC1 ZINC001608727980 1019257399 /nfs/dbraw/zinc/25/73/99/1019257399.db2.gz LXMINRZTQVHVLZ-UHFFFAOYSA-N -1 0 315.370 -0.182 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCN3CCOC[C@@H]3C2)O1 ZINC001608736210 1019257489 /nfs/dbraw/zinc/25/74/89/1019257489.db2.gz ZVZLTHPIZRWTPU-RWMBFGLXSA-N -1 0 312.366 -0.058 20 0 DBADRM O=C([O-])CCc1ccc(NC(=O)NCC(=O)NCCO)cc1 ZINC001608738049 1019257588 /nfs/dbraw/zinc/25/75/88/1019257588.db2.gz JPISHSUDVMNRSZ-UHFFFAOYSA-N -1 0 309.322 -0.066 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=S)NC[C@H]1CCOC1 ZINC001608728875 1019258426 /nfs/dbraw/zinc/25/84/26/1019258426.db2.gz YYYWBEWILLMCBI-SECBINFHSA-N -1 0 303.384 -0.532 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccncc1F ZINC001608750043 1019259574 /nfs/dbraw/zinc/25/95/74/1019259574.db2.gz CYIJSZZBSXKECV-JTQLQIEISA-N -1 0 310.285 -0.160 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1ccc2n[nH]nc2n1 ZINC001608749945 1019259792 /nfs/dbraw/zinc/25/97/92/1019259792.db2.gz AIXGLGTVJRJBHK-SECBINFHSA-N -1 0 318.293 -0.842 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001608750085 1019259931 /nfs/dbraw/zinc/25/99/31/1019259931.db2.gz DZMFOKXLNVCGLM-WCBMZHEXSA-N -1 0 321.337 -0.584 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1ccnc2ccnn21 ZINC001608750209 1019260407 /nfs/dbraw/zinc/26/04/07/1019260407.db2.gz CCJQBGSPHHHOFE-SECBINFHSA-N -1 0 317.305 -0.465 20 0 DBADRM O=C([O-])CN1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1 ZINC001608748943 1019261668 /nfs/dbraw/zinc/26/16/68/1019261668.db2.gz CXOXIMJZSRHLRZ-UHFFFAOYSA-N -1 0 318.395 -0.427 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1ccc(O)cc1O ZINC001608750858 1019262852 /nfs/dbraw/zinc/26/28/52/1019262852.db2.gz PSAMGQQJNBHGNO-SNVBAGLBSA-N -1 0 308.290 -0.097 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001608752666 1019263544 /nfs/dbraw/zinc/26/35/44/1019263544.db2.gz IUNRXFMYWKKEON-UHFFFAOYSA-N -1 0 306.271 -0.990 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1csc(CO)n1 ZINC001608750370 1019263837 /nfs/dbraw/zinc/26/38/37/1019263837.db2.gz DDOSDTKFLMUMCV-QMMMGPOBSA-N -1 0 313.335 -0.559 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCc2nncn2C1 ZINC001608750886 1019265286 /nfs/dbraw/zinc/26/52/86/1019265286.db2.gz QQFOCTWIRPGDPO-UWVGGRQHSA-N -1 0 321.337 -0.968 20 0 DBADRM O=C([O-])COCC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC001608756653 1019266298 /nfs/dbraw/zinc/26/62/98/1019266298.db2.gz GZJDBCSLWZDIOG-UHFFFAOYSA-N -1 0 324.337 -0.018 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cnc(C(F)(F)F)nc1 ZINC001608752782 1019267225 /nfs/dbraw/zinc/26/72/25/1019267225.db2.gz PCPJTKDUXWJTNY-UHFFFAOYSA-N -1 0 306.200 -0.574 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)CCc1nnc(C2CCCC2)o1 ZINC001608753197 1019267267 /nfs/dbraw/zinc/26/72/67/1019267267.db2.gz QEKPIAMXQWOPJI-UHFFFAOYSA-N -1 0 324.337 -0.023 20 0 DBADRM O=C([O-])COCC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC001608756639 1019267456 /nfs/dbraw/zinc/26/74/56/1019267456.db2.gz FUBNASXXBORLFQ-QMMMGPOBSA-N -1 0 317.323 -0.718 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1nc(Br)cs1 ZINC001608752913 1019267509 /nfs/dbraw/zinc/26/75/09/1019267509.db2.gz WAOPDRCVLDDVGM-UHFFFAOYSA-N -1 0 322.140 -0.164 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC(OCCCO)CC1 ZINC001608757218 1019267694 /nfs/dbraw/zinc/26/76/94/1019267694.db2.gz HDIJSKWJMVZAFU-UHFFFAOYSA-N -1 0 304.343 -0.339 20 0 DBADRM O=C([O-])COCC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC001608756638 1019268237 /nfs/dbraw/zinc/26/82/37/1019268237.db2.gz FUBNASXXBORLFQ-MRVPVSSYSA-N -1 0 317.323 -0.718 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)NC(CO)(CO)CO)cc1F ZINC001608778687 1019269808 /nfs/dbraw/zinc/26/98/08/1019269808.db2.gz MVEUQKBRSZWAEN-UHFFFAOYSA-N -1 0 316.285 -0.710 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)NC/C=C/CO)cc1 ZINC001608760046 1019270365 /nfs/dbraw/zinc/27/03/65/1019270365.db2.gz LVFKMVCZMYPBDZ-OWOJBTEDSA-N -1 0 308.290 -0.247 20 0 DBADRM O=C([O-])CSCCC(=O)N[C@H](CO)[C@H](O)c1cccnc1 ZINC001608766904 1019270940 /nfs/dbraw/zinc/27/09/40/1019270940.db2.gz PZUFVLRCAMTWPS-ZWNOBZJWSA-N -1 0 314.363 -0.200 20 0 DBADRM O=C([O-])Cc1ccc(CNS(=O)(=O)[C@@H]2COC[C@H]2O)cc1 ZINC001608777436 1019271237 /nfs/dbraw/zinc/27/12/37/1019271237.db2.gz HXEJPRZODAMUCZ-VXGBXAGGSA-N -1 0 315.347 -0.507 20 0 DBADRM O=C([O-])COCCNC(=O)NCc1nc([C@@H]2CCCO2)n[nH]1 ZINC001608757585 1019271706 /nfs/dbraw/zinc/27/17/06/1019271706.db2.gz MWQZNHLSHCWUTE-QMMMGPOBSA-N -1 0 313.314 -0.443 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)CN2CCOCC2=O)c1 ZINC001608764308 1019272080 /nfs/dbraw/zinc/27/20/80/1019272080.db2.gz QWQYBOWCGXJQHO-UHFFFAOYSA-N -1 0 308.290 -0.053 20 0 DBADRM O=C([O-])CSCCNC(=O)N1CCN([C@H]2CCOC2)CC1 ZINC001608767745 1019272311 /nfs/dbraw/zinc/27/23/11/1019272311.db2.gz OGCOIWVKAWDEOU-NSHDSACASA-N -1 0 317.411 -0.080 20 0 DBADRM O=C([O-])Cc1occc1C(=O)NCc1nnc2n1CCOC2 ZINC001608794076 1019274023 /nfs/dbraw/zinc/27/40/23/1019274023.db2.gz GCHFZMYCHLCFDR-UHFFFAOYSA-N -1 0 306.278 -0.042 20 0 DBADRM O=C([O-])Cn1cc(CN2CC(=O)N(CC(F)(F)F)C2)nn1 ZINC001608797320 1019274360 /nfs/dbraw/zinc/27/43/60/1019274360.db2.gz ZGMNXSZXWWWDAS-UHFFFAOYSA-N -1 0 307.232 -0.473 20 0 DBADRM O=C([O-])Cn1cc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)nn1 ZINC001608796944 1019274570 /nfs/dbraw/zinc/27/45/70/1019274570.db2.gz CMQVPFPOLVASTN-UHFFFAOYSA-N -1 0 321.293 -0.404 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@@H]2CCc3nncn3CC2)n[nH]1 ZINC001608793184 1019275092 /nfs/dbraw/zinc/27/50/92/1019275092.db2.gz ACOKRXVWPYCLMD-SSDOTTSWSA-N -1 0 305.298 -0.386 20 0 DBADRM O=C([O-])Cn1cc(CN[C@@H]2COc3ccccc3[C@H]2O)nn1 ZINC001608797472 1019275528 /nfs/dbraw/zinc/27/55/28/1019275528.db2.gz ITIDQQCDCSWNMH-BXUZGUMPSA-N -1 0 304.306 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)O1 ZINC001608804283 1019278084 /nfs/dbraw/zinc/27/80/84/1019278084.db2.gz BWEYLLITIRJEPI-HLTSFMKQSA-N -1 0 310.310 -0.095 20 0 DBADRM O=C([O-])Cn1ncc2ccc(NC(=O)NC[C@@H](O)CO)cc21 ZINC001608800141 1019278403 /nfs/dbraw/zinc/27/84/03/1019278403.db2.gz BIOQPUWWHZRTST-SNVBAGLBSA-N -1 0 308.294 -0.404 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCc2cccc(F)n2)cn1 ZINC001608798551 1019279980 /nfs/dbraw/zinc/27/99/80/1019279980.db2.gz WKCWKLRPOXILBN-UHFFFAOYSA-N -1 0 314.298 -0.020 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)O1 ZINC001608803878 1019280179 /nfs/dbraw/zinc/28/01/79/1019280179.db2.gz PYTJBIAWZGDEHF-LPWJVIDDSA-N -1 0 312.366 -0.324 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)NCC3(N4CCOCC4)CC3)C[C@@H]21 ZINC001608816512 1019281879 /nfs/dbraw/zinc/28/18/79/1019281879.db2.gz OKAAGIYXEMTLPR-GDNZZTSVSA-N -1 0 309.366 -0.177 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CC[C@@H](CN3CCOC3=O)C2)C(=O)O1 ZINC001608808945 1019282611 /nfs/dbraw/zinc/28/26/11/1019282611.db2.gz PLIJAFLKKGVMEZ-ZJUUUORDSA-N -1 0 313.310 -0.377 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCC[C@@H](CO)[C@H]2CO)C1 ZINC001608809838 1019283136 /nfs/dbraw/zinc/28/31/36/1019283136.db2.gz MTWYAPUIAMLRPX-WUHRBBMRSA-N -1 0 315.366 -0.152 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001608811188 1019283234 /nfs/dbraw/zinc/28/32/34/1019283234.db2.gz WXTDPUBCDRXWBP-GRYCIOLGSA-N -1 0 309.366 -0.623 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 ZINC001608810953 1019283829 /nfs/dbraw/zinc/28/38/29/1019283829.db2.gz TXXKECWJSJJACO-VHSXEESVSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2C[C@@H](CO)[C@H](CCO)C2)C1 ZINC001608809883 1019283934 /nfs/dbraw/zinc/28/39/34/1019283934.db2.gz QRYJYMJTENLVNB-MROQNXINSA-N -1 0 315.366 -0.294 20 0 DBADRM O=C([O-])c1c(NC(=O)N2C[C@@H](CO)[C@H](CO)C2)nc2n1CCC2 ZINC001608830539 1019284824 /nfs/dbraw/zinc/28/48/24/1019284824.db2.gz RUIKHDRENJXHAT-IUCAKERBSA-N -1 0 324.337 -0.408 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)N=S1(=O)CCCC1 ZINC001608823695 1019284854 /nfs/dbraw/zinc/28/48/54/1019284854.db2.gz KRQXFTRHRAGVRQ-HTQZYQBOSA-N -1 0 312.369 -0.987 20 0 DBADRM O=C([O-])[C@]12CN(c3nnnn3CC(F)F)C[C@H]1COCC2 ZINC001608817950 1019285270 /nfs/dbraw/zinc/28/52/70/1019285270.db2.gz OOIDWFMVOZTKCI-WRWORJQWSA-N -1 0 303.269 -0.134 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CC(C3CS(=O)(=O)C3)C2)ccn1 ZINC001608834830 1019286078 /nfs/dbraw/zinc/28/60/78/1019286078.db2.gz FVAXKJCUQADGRU-UHFFFAOYSA-N -1 0 310.331 -0.104 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1cc(N2CCOCC2)ccn1 ZINC001608823474 1019286496 /nfs/dbraw/zinc/28/64/96/1019286496.db2.gz UVTDMYMAJVNWAD-DGCLKSJQSA-N -1 0 321.333 -0.422 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1nnc2ccccc2c1O ZINC001608823857 1019287019 /nfs/dbraw/zinc/28/70/19/1019287019.db2.gz WZPWZUYUAYRCDY-GMSGAONNSA-N -1 0 303.274 -0.005 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)on1 ZINC001608835712 1019288735 /nfs/dbraw/zinc/28/87/35/1019288735.db2.gz SSJFBPFALFCOLJ-QMMMGPOBSA-N -1 0 323.305 -0.524 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCCC23OCCO3)n[nH]1 ZINC001608860755 1019289181 /nfs/dbraw/zinc/28/91/81/1019289181.db2.gz YOGQYAYMXUCNKG-QMMMGPOBSA-N -1 0 317.323 -0.318 20 0 DBADRM O=C([O-])c1cc(F)cc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC001608848552 1019289353 /nfs/dbraw/zinc/28/93/53/1019289353.db2.gz QZHLXUBAGPRZFE-SNVBAGLBSA-N -1 0 321.264 -0.100 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)on1 ZINC001608835459 1019289560 /nfs/dbraw/zinc/28/95/60/1019289560.db2.gz JIUSGMSLMCLVGU-SCZZXKLOSA-N -1 0 309.278 -0.508 20 0 DBADRM O=C([O-])c1cc(C2CN(C(=O)CCN3CCOCC3)C2)[nH]n1 ZINC001608840441 1019290017 /nfs/dbraw/zinc/29/00/17/1019290017.db2.gz UEDIIUXTENSOQZ-UHFFFAOYSA-N -1 0 308.338 -0.244 20 0 DBADRM O=C([O-])c1cc(NC[C@@]23COCCN2C(=O)COC3)ncn1 ZINC001608856400 1019290552 /nfs/dbraw/zinc/29/05/52/1019290552.db2.gz VMTXFLQRJXDTTF-ZDUSSCGKSA-N -1 0 308.294 -0.786 20 0 DBADRM O=C([O-])c1ccc(NC(=O)N2CCS(=O)(=O)CCO2)nn1 ZINC001608902072 1019292051 /nfs/dbraw/zinc/29/20/51/1019292051.db2.gz OVCYYVSYBZFMGU-UHFFFAOYSA-N -1 0 316.295 -0.631 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c[nH]1 ZINC001608861680 1019293030 /nfs/dbraw/zinc/29/30/30/1019293030.db2.gz JZXQWNRNJLNPGW-FYBVGQRMSA-N -1 0 316.335 -0.205 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)n1 ZINC001608950202 1019295686 /nfs/dbraw/zinc/29/56/86/1019295686.db2.gz CAGUDKDFGYOMQX-JQWIXIFHSA-N -1 0 322.321 -0.913 20 0 DBADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CN1CCNCC1=O)CC2 ZINC001608921961 1019295859 /nfs/dbraw/zinc/29/58/59/1019295859.db2.gz HJJONJXNTYRBNV-UHFFFAOYSA-N -1 0 317.345 -0.299 20 0 DBADRM C[C@@H](CNC(=O)CC(C)(C)O)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574886666 1019296008 /nfs/dbraw/zinc/29/60/08/1019296008.db2.gz UYXLRMYVHNZJDE-QMMMGPOBSA-N -1 0 320.357 -0.266 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N2CC(N3CC[C@@H](O)C3)C2)n1 ZINC001608950604 1019296229 /nfs/dbraw/zinc/29/62/29/1019296229.db2.gz BBCLTERHFGDKFC-GFCCVEGCSA-N -1 0 322.365 -0.361 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N2CCn3cnnc3C2)n1 ZINC001608950970 1019296953 /nfs/dbraw/zinc/29/69/53/1019296953.db2.gz XGOJEOPIOITHNS-UHFFFAOYSA-N -1 0 304.310 -0.005 20 0 DBADRM O=C([O-])c1ccccc1C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001608944753 1019297240 /nfs/dbraw/zinc/29/72/40/1019297240.db2.gz QTKSMRIIEOEFGY-ZDUSSCGKSA-N -1 0 313.331 -0.336 20 0 DBADRM O=C([O-])c1ccsc1N1CC[C@@H](N2C[C@H](O)[C@@H](O)C2)C1=O ZINC001608957285 1019298078 /nfs/dbraw/zinc/29/80/78/1019298078.db2.gz XSAADDOIUAMXGN-UTLUCORTSA-N -1 0 312.347 -0.411 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3cccc4ncnn43)C2)nn1 ZINC001608963149 1019299372 /nfs/dbraw/zinc/29/93/72/1019299372.db2.gz ZJLKAPUZDOWFEJ-UHFFFAOYSA-N -1 0 313.277 -0.284 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)CCc3nnc[nH]3)C2)nn1 ZINC001608958680 1019299417 /nfs/dbraw/zinc/29/94/17/1019299417.db2.gz VLSICNVEXFYJAP-SECBINFHSA-N -1 0 319.325 -0.109 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)c1 ZINC001608954623 1019300035 /nfs/dbraw/zinc/30/00/35/1019300035.db2.gz LKODVHAOVZZKHZ-UHFFFAOYSA-N -1 0 311.319 -0.267 20 0 DBADRM O=C([O-])c1cn(C2CN(S(=O)(=O)C[C@@H]3CCOC3)C2)nn1 ZINC001608962834 1019300458 /nfs/dbraw/zinc/30/04/58/1019300458.db2.gz DDIZAAHSFIJPAI-MRVPVSSYSA-N -1 0 316.339 -0.801 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCOc1cccnc1 ZINC001608965299 1019300992 /nfs/dbraw/zinc/30/09/92/1019300992.db2.gz JWBZDIYHALYXLM-UHFFFAOYSA-N -1 0 312.307 -0.140 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2ccc3c(n2)OCCO3)nn1 ZINC001608963890 1019301262 /nfs/dbraw/zinc/30/12/62/1019301262.db2.gz NBXYCRKUMFXGGY-UHFFFAOYSA-N -1 0 319.277 -0.428 20 0 DBADRM O=C([O-])c1cnc(CN[C@@H]2C(=O)NCC23CCOCC3)cn1 ZINC001608972214 1019301321 /nfs/dbraw/zinc/30/13/21/1019301321.db2.gz PHGNBPOJMVOIHL-LLVKDONJSA-N -1 0 306.322 -0.440 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@@H](O)[C@@H](F)C2)nn1 ZINC001608963642 1019302669 /nfs/dbraw/zinc/30/26/69/1019302669.db2.gz CPTZIJJESSSJRO-IONNQARKSA-N -1 0 301.278 -0.909 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2C3CCC2(CO)CC3)nn1 ZINC001608963872 1019302774 /nfs/dbraw/zinc/30/27/74/1019302774.db2.gz MMMBYQADDPDDID-UHFFFAOYSA-N -1 0 309.326 -0.325 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@](F)(CO)C2)nn1 ZINC001608963667 1019303675 /nfs/dbraw/zinc/30/36/75/1019303675.db2.gz DEMSBMFGEOACTM-LLVKDONJSA-N -1 0 301.278 -0.908 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2cn3cccnc3n2)nn1 ZINC001608963646 1019304056 /nfs/dbraw/zinc/30/40/56/1019304056.db2.gz CSJTYDZBJRWSCU-UHFFFAOYSA-N -1 0 301.266 -0.551 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N2CCC[C@](O)(CO)C2)c1 ZINC001608982564 1019304448 /nfs/dbraw/zinc/30/44/48/1019304448.db2.gz OSQGMFONVRSFSS-GFCCVEGCSA-N -1 0 316.335 -0.712 20 0 DBADRM O=C([O-])c1cnc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)nc1 ZINC001608978838 1019304663 /nfs/dbraw/zinc/30/46/63/1019304663.db2.gz VEKAGUORSBETSL-KXUCPTDWSA-N -1 0 319.321 -0.630 20 0 DBADRM O=C([O-])c1cncc(CN2CCN3CCOC[C@]3(CO)C2)c1 ZINC001608980929 1019304964 /nfs/dbraw/zinc/30/49/64/1019304964.db2.gz WEOSIFDVEOVJOA-OAHLLOKOSA-N -1 0 307.350 -0.341 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)Cn3ccnc3)CC2)nc1 ZINC001608975354 1019305331 /nfs/dbraw/zinc/30/53/31/1019305331.db2.gz QKCRZNPBOCRFHP-UHFFFAOYSA-N -1 0 316.321 -0.280 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2C[C@@H](O)CC3(CCOCC3)C2)c1 ZINC001608984011 1019305390 /nfs/dbraw/zinc/30/53/90/1019305390.db2.gz NXWLNVSOJSOMKZ-LBPRGKRZSA-N -1 0 323.349 -0.029 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)[C@@H]2CCOC2)nc1 ZINC001608976680 1019305555 /nfs/dbraw/zinc/30/55/55/1019305555.db2.gz BGUIVINKYZBRCZ-PSASIEDQSA-N -1 0 310.310 -0.900 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)c3cncnc3)C2)nc1 ZINC001608975338 1019305785 /nfs/dbraw/zinc/30/57/85/1019305785.db2.gz PHNBHMVSWMWAHB-NSHDSACASA-N -1 0 314.305 -0.027 20 0 DBADRM O=C([O-])c1cnc(NCC=CCNC(=O)c2nnc[nH]2)nc1 ZINC001608977565 1019305895 /nfs/dbraw/zinc/30/58/95/1019305895.db2.gz QCHXNGAQLCOQDI-UPHRSURJSA-N -1 0 303.282 -0.309 20 0 DBADRM O=C([O-])c1cnc(NCCS(=O)(=O)N2CCOCC2)s1 ZINC001608978030 1019306139 /nfs/dbraw/zinc/30/61/39/1019306139.db2.gz SBMUSCLCRPKVLV-UHFFFAOYSA-N -1 0 321.380 -0.085 20 0 DBADRM O=C([O-])c1cncc(CN2CCN3[C@H](CNS3(=O)=O)C2)c1 ZINC001608980662 1019306423 /nfs/dbraw/zinc/30/64/23/1019306423.db2.gz KBRXOUZCBKSMGJ-LLVKDONJSA-N -1 0 312.351 -0.886 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCOC3)C2)n1 ZINC001608999897 1019307488 /nfs/dbraw/zinc/30/74/88/1019307488.db2.gz ZCQHOTACJLUVKN-OPRDCNLKSA-N -1 0 306.322 -0.308 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)[C@H]3CCCO3)CC2)n1 ZINC001608999225 1019307573 /nfs/dbraw/zinc/30/75/73/1019307573.db2.gz QQRUCCDYUSKHRP-SECBINFHSA-N -1 0 306.322 -0.164 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)[C@@H]3CCCO3)C2)n1 ZINC001608998884 1019307611 /nfs/dbraw/zinc/30/76/11/1019307611.db2.gz GYRYTCGSWHKQGK-UWVGGRQHSA-N -1 0 306.322 -0.212 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)c3cc[nH]n3)C2)n1 ZINC001608999466 1019307693 /nfs/dbraw/zinc/30/76/93/1019307693.db2.gz ZXGBOZXOJBECPE-QMMMGPOBSA-N -1 0 302.294 -0.354 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)C2CCCC2)n1 ZINC001608999418 1019308310 /nfs/dbraw/zinc/30/83/10/1019308310.db2.gz YPPGMXLNTKCFTC-JTQLQIEISA-N -1 0 308.338 -0.324 20 0 DBADRM O=C([O-])c1nccc(N2CCN(C(=O)c3ccnnc3)CC2)n1 ZINC001608998372 1019308829 /nfs/dbraw/zinc/30/88/29/1019308829.db2.gz LOFRFPHPSILEBJ-UHFFFAOYSA-N -1 0 314.305 -0.073 20 0 DBADRM O=C([O-])c1nccc(NCCN(CCO)C(=O)c2cocn2)n1 ZINC001608998794 1019308960 /nfs/dbraw/zinc/30/89/60/1019308960.db2.gz DCNMCCFRHVXGQH-UHFFFAOYSA-N -1 0 321.293 -0.869 20 0 DBADRM O=C([O-])c1nccc(NCCN(CCO)C(=O)c2cnco2)n1 ZINC001608999286 1019309344 /nfs/dbraw/zinc/30/93/44/1019309344.db2.gz UGDYVCQDFUDYND-UHFFFAOYSA-N -1 0 321.293 -0.869 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N1CCC2(C1)OCCO2 ZINC001609000600 1019311379 /nfs/dbraw/zinc/31/13/79/1019311379.db2.gz HMPZYDKENGXHRG-UHFFFAOYSA-N -1 0 314.319 -0.083 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CC[C@](F)(CO)C1 ZINC001609003296 1019311601 /nfs/dbraw/zinc/31/16/01/1019311601.db2.gz FWCMHKDEADHNOY-SECBINFHSA-N -1 0 310.328 -0.064 20 0 DBADRM O=C([O-])c1ncn(CC(=O)N2CCN(c3cnccn3)CC2)n1 ZINC001609001055 1019312514 /nfs/dbraw/zinc/31/25/14/1019312514.db2.gz BPKAIJQINRJCAK-UHFFFAOYSA-N -1 0 317.309 -0.885 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC001574924692 1019313587 /nfs/dbraw/zinc/31/35/87/1019313587.db2.gz GJNSRMYOJRXJGJ-VKHMYHEASA-N -1 0 303.218 -0.848 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)C1 ZINC001609034852 1019316245 /nfs/dbraw/zinc/31/62/45/1019316245.db2.gz GCAUNVKODBZRFT-JMJZKYOTSA-N -1 0 324.333 -0.338 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001609034983 1019316375 /nfs/dbraw/zinc/31/63/75/1019316375.db2.gz JIWQMYLTMVTZNM-SFYZADRCSA-N -1 0 300.336 -0.685 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CNC(=O)C2)o1 ZINC001609036453 1019316529 /nfs/dbraw/zinc/31/65/29/1019316529.db2.gz VLEUSUVZKAFYFM-ZETCQYMHSA-N -1 0 302.308 -0.218 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)C[C@@H]3CCC(=O)NC3)C2)nn1 ZINC001609035301 1019316665 /nfs/dbraw/zinc/31/66/65/1019316665.db2.gz DGICZOAQGZDOAK-QMMMGPOBSA-N -1 0 307.310 -0.724 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)NCC[C@@H]2CNC(=O)C2)C1 ZINC001609035456 1019316775 /nfs/dbraw/zinc/31/67/75/1019316775.db2.gz PKLQEXGAPWEATF-VHSXEESVSA-N -1 0 315.395 -0.028 20 0 DBADRM O=C([O-])[C@@H](Cc1cncs1)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001609034704 1019316998 /nfs/dbraw/zinc/31/69/98/1019316998.db2.gz BGDCQHKMJDTYCV-POYBYMJQSA-N -1 0 311.319 -0.692 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)Cc1ccncc1 ZINC001609034410 1019317167 /nfs/dbraw/zinc/31/71/67/1019317167.db2.gz OEWGEWYLXPBLHD-VXGBXAGGSA-N -1 0 305.334 -0.033 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001609036504 1019317428 /nfs/dbraw/zinc/31/74/28/1019317428.db2.gz WQSRJCFVOSAAAN-HTQZYQBOSA-N -1 0 320.305 -0.415 20 0 DBADRM O=C([O-])C1(NC(=O)c2ccc3c(c2)OCC(=O)N3)CC(CO)C1 ZINC001609042106 1019318549 /nfs/dbraw/zinc/31/85/49/1019318549.db2.gz MQZCZMNZJVUFNM-UHFFFAOYSA-N -1 0 320.301 -0.027 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1 ZINC001609040790 1019318637 /nfs/dbraw/zinc/31/86/37/1019318637.db2.gz YIRFAKMTLWPSRF-KOLCDFICSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])C1(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)CCC1 ZINC001609041641 1019318884 /nfs/dbraw/zinc/31/88/84/1019318884.db2.gz OUFPBBZLKDSLPP-UHFFFAOYSA-N -1 0 318.333 -0.245 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)c1ccnc2c1CC(=O)N2 ZINC001609042912 1019319176 /nfs/dbraw/zinc/31/91/76/1019319176.db2.gz GLCMDBOFHDKINH-SNVBAGLBSA-N -1 0 315.289 -0.275 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cn1 ZINC001609041681 1019319352 /nfs/dbraw/zinc/31/93/52/1019319352.db2.gz QOURWQDKIQYSRY-VXGBXAGGSA-N -1 0 319.317 -0.562 20 0 DBADRM O=C([O-])c1cccc2c1CN(C(=O)CN1CCNC(=O)C1)CC2 ZINC001609041284 1019319677 /nfs/dbraw/zinc/31/96/77/1019319677.db2.gz XVFIHGZBDJHVIP-UHFFFAOYSA-N -1 0 317.345 -0.299 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 ZINC001609040170 1019319827 /nfs/dbraw/zinc/31/98/27/1019319827.db2.gz XAPNXBHALIAOHW-RKDXNWHRSA-N -1 0 307.310 -0.582 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC001609043443 1019320115 /nfs/dbraw/zinc/32/01/15/1019320115.db2.gz GLRZUJCZDSSNBJ-RITPCOANSA-N -1 0 310.228 -0.899 20 0 DBADRM O=C([O-])c1cc(F)ccc1NC(=O)C(=O)N1CCNC(=O)C1 ZINC001609040401 1019320341 /nfs/dbraw/zinc/32/03/41/1019320341.db2.gz IEHNUFVPDNLUQK-UHFFFAOYSA-N -1 0 309.253 -0.579 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC3(CCNC(=O)O3)CC2)nn1 ZINC001609045323 1019320918 /nfs/dbraw/zinc/32/09/18/1019320918.db2.gz RXKBTLKETIERBL-UHFFFAOYSA-N -1 0 323.309 -0.533 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)CC1 ZINC001609045789 1019321475 /nfs/dbraw/zinc/32/14/75/1019321475.db2.gz NDQZGGZBRKODOK-DTWKUNHWSA-N -1 0 318.351 -0.389 20 0 DBADRM CC[C@@H](OC)C(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001574945328 1019321857 /nfs/dbraw/zinc/32/18/57/1019321857.db2.gz RHWWSRHQUAOSPR-SNVBAGLBSA-N -1 0 321.337 -0.706 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001609044520 1019322652 /nfs/dbraw/zinc/32/26/52/1019322652.db2.gz WEKKIGIISQBSDG-ULAWRXDQSA-N -1 0 324.255 -0.198 20 0 DBADRM C[C@H](C(=O)N1CC[C@](O)(C2CC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068070 1019324701 /nfs/dbraw/zinc/32/47/01/1019324701.db2.gz DTVVEKJQHCUYCZ-AMIZOPFISA-N -1 0 318.341 -0.607 20 0 DBADRM C[C@H](C(=O)N1CC[C@@](O)(C2CC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068075 1019328472 /nfs/dbraw/zinc/32/84/72/1019328472.db2.gz DTVVEKJQHCUYCZ-OQPBUACISA-N -1 0 318.341 -0.607 20 0 DBADRM C[C@H](C(=O)OCC(=O)N1CCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609072036 1019330305 /nfs/dbraw/zinc/33/03/05/1019330305.db2.gz ZRXMIKWZOAWULM-MRVPVSSYSA-N -1 0 320.313 -0.815 20 0 DBADRM C[C@H](C(=O)N[C@]1(C)CCO[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001609069316 1019330835 /nfs/dbraw/zinc/33/08/35/1019330835.db2.gz VXAHCFOQMFCSST-DNSOKLHBSA-N -1 0 306.330 -0.297 20 0 DBADRM C[C@@H](C(=O)NCC[C@H]1CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609070148 1019332157 /nfs/dbraw/zinc/33/21/57/1019332157.db2.gz JJOQWVHBLQYEGP-IUCAKERBSA-N -1 0 306.330 -0.438 20 0 DBADRM CC(C)CCN(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001609094581 1019336795 /nfs/dbraw/zinc/33/67/95/1019336795.db2.gz IYCBEJNZNUITLX-UHFFFAOYSA-N -1 0 307.358 -0.254 20 0 DBADRM C[C@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C1CC1 ZINC001609113994 1019343996 /nfs/dbraw/zinc/34/39/96/1019343996.db2.gz QCOQHGQSZLTGFF-SSDOTTSWSA-N -1 0 305.342 -0.278 20 0 DBADRM C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1nnn[n-]1 ZINC001609112116 1019347952 /nfs/dbraw/zinc/34/79/52/1019347952.db2.gz SLAUZDBHEDNGJS-ZCFIWIBFSA-N -1 0 302.302 -0.416 20 0 DBADRM C[C@@H](OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(=O)N(C)C ZINC001609130859 1019351234 /nfs/dbraw/zinc/35/12/34/1019351234.db2.gz XPDFILLWRUJLNC-RNFRBKRXSA-N -1 0 308.302 -0.961 20 0 DBADRM C[C@@H](c1nc(-c2ncccn2)no1)n1cnc(-c2nnn[n-]2)n1 ZINC001609142260 1019356366 /nfs/dbraw/zinc/35/63/66/1019356366.db2.gz RCNQVDFJLCBORL-LURJTMIESA-N -1 0 311.269 -0.093 20 0 DBADRM CC(F)(F)C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001505586968 1019358609 /nfs/dbraw/zinc/35/86/09/1019358609.db2.gz NDCIUGLRBPXBSS-RXMQYKEDSA-N -1 0 317.252 -0.731 20 0 DBADRM COc1ncccc1C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001575027902 1019361876 /nfs/dbraw/zinc/36/18/76/1019361876.db2.gz ZMFKGMYSGGCALP-UHFFFAOYSA-N -1 0 319.321 -0.013 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)CCc2cnccn2)c1[O-] ZINC001575026490 1019361985 /nfs/dbraw/zinc/36/19/85/1019361985.db2.gz JCGQAXWFZKMJJO-UHFFFAOYSA-N -1 0 318.337 -0.307 20 0 DBADRM C[C@@H]1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@@H](C)[C@H]1C ZINC001609175395 1019366393 /nfs/dbraw/zinc/36/63/93/1019366393.db2.gz PIVBEEAWCJAGAG-VGMNWLOBSA-N -1 0 319.369 -0.255 20 0 DBADRM C[C@H]1CN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001609171422 1019366914 /nfs/dbraw/zinc/36/69/14/1019366914.db2.gz QHKBAESRRFSTTP-QMMMGPOBSA-N -1 0 321.293 -0.136 20 0 DBADRM CC[C@H](C)[C@](C)(O)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609184058 1019368273 /nfs/dbraw/zinc/36/82/73/1019368273.db2.gz ORSSPFWDZWEDMC-IGJMFERPSA-N -1 0 322.373 -0.068 20 0 DBADRM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C[C@H]1O ZINC001609202859 1019369087 /nfs/dbraw/zinc/36/90/87/1019369087.db2.gz QWENPSKQQFVFPZ-JGVFFNPUSA-N -1 0 313.339 -0.149 20 0 DBADRM CC[C@@H](O)CCCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609195261 1019371434 /nfs/dbraw/zinc/37/14/34/1019371434.db2.gz DYOXFOWMJFKIBI-SECBINFHSA-N -1 0 323.361 -0.692 20 0 DBADRM CCN([C@H](C)CO)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001609226129 1019374901 /nfs/dbraw/zinc/37/49/01/1019374901.db2.gz CLFNAESCCPKWKD-MRVPVSSYSA-N -1 0 312.355 -0.347 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC2CCC(O)CC2)c1=O ZINC001609258259 1019387648 /nfs/dbraw/zinc/38/76/48/1019387648.db2.gz ZDXIHFYYVNJOKX-UHFFFAOYSA-N -1 0 320.353 -0.239 20 0 DBADRM CCc1cnccc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609253836 1019389722 /nfs/dbraw/zinc/38/97/22/1019389722.db2.gz RWHGZCPOTFRMNT-UHFFFAOYSA-N -1 0 313.325 -0.154 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2CCC[C@@H](O)C2)c1=O ZINC001609257607 1019391291 /nfs/dbraw/zinc/39/12/91/1019391291.db2.gz DRKDNNYQUNZLGS-VHSXEESVSA-N -1 0 320.353 -0.239 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(COCC(F)(F)F)c1=O ZINC001609258114 1019391736 /nfs/dbraw/zinc/39/17/36/1019391736.db2.gz RSZQNDQDXHFRSY-UHFFFAOYSA-N -1 0 320.231 -0.254 20 0 DBADRM CN(C)c1nc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)ns1 ZINC001609270434 1019394723 /nfs/dbraw/zinc/39/47/23/1019394723.db2.gz XLNYLGRQTSFMIH-UHFFFAOYSA-N -1 0 321.326 -0.905 20 0 DBADRM CC(C)(O)CC(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001575083933 1019395654 /nfs/dbraw/zinc/39/56/54/1019395654.db2.gz LKIQBIIFNLRLRL-UHFFFAOYSA-N -1 0 321.337 -0.970 20 0 DBADRM CN1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)CC1 ZINC001609285787 1019405637 /nfs/dbraw/zinc/40/56/37/1019405637.db2.gz WQFSMGVLBNVABT-UHFFFAOYSA-N -1 0 309.355 -0.802 20 0 DBADRM COC(=O)[C@@H](CF)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609292893 1019411831 /nfs/dbraw/zinc/41/18/31/1019411831.db2.gz BRLIKXLMFMOVQM-MRVPVSSYSA-N -1 0 309.257 -0.187 20 0 DBADRM COC(=O)CCC(=O)Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001609298606 1019423440 /nfs/dbraw/zinc/42/34/40/1019423440.db2.gz UECSUDCLZONILU-UHFFFAOYSA-N -1 0 305.294 -0.141 20 0 DBADRM COC[C@@H]1CCCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001609319904 1019431316 /nfs/dbraw/zinc/43/13/16/1019431316.db2.gz PTOLZADGPBJMKQ-NXEZZACHSA-N -1 0 320.357 -0.096 20 0 DBADRM COCC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609321743 1019432606 /nfs/dbraw/zinc/43/26/06/1019432606.db2.gz MYWXNVYJZYMOFY-VIFPVBQESA-N -1 0 307.310 -0.301 20 0 DBADRM COCc1noc(Cn2c(=O)ccc(-c3nnn[n-]3)c2OC)n1 ZINC001609332225 1019437550 /nfs/dbraw/zinc/43/75/50/1019437550.db2.gz ZZYSAGMQWJCPIU-UHFFFAOYSA-N -1 0 319.281 -0.385 20 0 DBADRM COc1c(-c2nnn[n-]2)ccc(=O)n1CC(=O)NCC(C)C ZINC001609332744 1019437827 /nfs/dbraw/zinc/43/78/27/1019437827.db2.gz LUHPCRKHFANMKJ-UHFFFAOYSA-N -1 0 306.326 -0.191 20 0 DBADRM CSCCCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609371757 1019441231 /nfs/dbraw/zinc/44/12/31/1019441231.db2.gz XPUSZKLQWVRRHA-UHFFFAOYSA-N -1 0 311.375 -0.490 20 0 DBADRM CS(=O)(=O)CC1(Cn2cncc(-c3nnn[n-]3)c2=O)CC1 ZINC001609366796 1019444135 /nfs/dbraw/zinc/44/41/35/1019444135.db2.gz PMXFUNBHKYXETE-UHFFFAOYSA-N -1 0 310.339 -0.752 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)n(CC(=O)N2CCO[C@H](C)C2)c1 ZINC001609386923 1019451911 /nfs/dbraw/zinc/45/19/11/1019451911.db2.gz ZYBCSVSGTKVLGR-SNVBAGLBSA-N -1 0 318.337 -0.416 20 0 DBADRM Cc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c(=O)[nH]1 ZINC001609425739 1019456631 /nfs/dbraw/zinc/45/66/31/1019456631.db2.gz IVUBNHJNXGFISD-UHFFFAOYSA-N -1 0 301.270 -0.494 20 0 DBADRM Cc1nnc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)n1C ZINC001609461282 1019461111 /nfs/dbraw/zinc/46/11/11/1019461111.db2.gz VQXBIVRADFCNHJ-UHFFFAOYSA-N -1 0 324.326 -0.625 20 0 DBADRM Cc1nc(NCCn2cnc(-c3nnn[n-]3)n2)nc(N(C)C)n1 ZINC001609453653 1019461840 /nfs/dbraw/zinc/46/18/40/1019461840.db2.gz NLDMBSKFILTSIW-UHFFFAOYSA-N -1 0 316.333 -0.870 20 0 DBADRM Cc1nnc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)n1C1CC1 ZINC001609460929 1019462993 /nfs/dbraw/zinc/46/29/93/1019462993.db2.gz HULVBLPAMBELNB-UHFFFAOYSA-N -1 0 315.297 -0.588 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]c1c(-c2nn[nH]n2)cnn1C ZINC001609459734 1019466339 /nfs/dbraw/zinc/46/63/39/1019466339.db2.gz XVSVQNWNYIDQDS-UHFFFAOYSA-N -1 0 323.342 -0.557 20 0 DBADRM Cc1nn(C)c(Cl)c1Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001609458571 1019467419 /nfs/dbraw/zinc/46/74/19/1019467419.db2.gz HNYTXHHUKPSFLQ-UHFFFAOYSA-N -1 0 322.716 -0.127 20 0 DBADRM Cn1cnc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001609480905 1019481955 /nfs/dbraw/zinc/48/19/55/1019481955.db2.gz IEJIURFRQCMAIE-UHFFFAOYSA-N -1 0 310.299 -0.933 20 0 DBADRM NC(=O)CN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC001609503284 1019490132 /nfs/dbraw/zinc/49/01/32/1019490132.db2.gz ASIBDSOUDZCJHA-UHFFFAOYSA-N -1 0 318.341 -0.661 20 0 DBADRM O=C(Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O)NCC1CCC1 ZINC001609537606 1019504551 /nfs/dbraw/zinc/50/45/51/1019504551.db2.gz FBRPBZVVXIPCAY-UHFFFAOYSA-N -1 0 305.298 -0.955 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)Nc1nccs1 ZINC001609551979 1019510865 /nfs/dbraw/zinc/51/08/65/1019510865.db2.gz SQHAEPGXLGECFX-UHFFFAOYSA-N -1 0 306.315 -0.264 20 0 DBADRM C[C@H](NC(=O)Cn1nnc(N)n1)c1cccc(-c2nn[nH]n2)c1 ZINC001575297779 1019521185 /nfs/dbraw/zinc/52/11/85/1019521185.db2.gz KANYNHAEOLSMDP-ZETCQYMHSA-N -1 0 314.313 -0.687 20 0 DBADRM O=C(COC(=O)c1ccc(-c2nnn[n-]2)o1)N1CCCC1=O ZINC001609573628 1019522561 /nfs/dbraw/zinc/52/25/61/1019522561.db2.gz IPRPEILMEMJLNG-UHFFFAOYSA-N -1 0 305.250 -0.235 20 0 DBADRM CC(=O)N1CCC[C@H](CNC(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001609591341 1019523352 /nfs/dbraw/zinc/52/33/52/1019523352.db2.gz UPZIDSUVYKDPSJ-SNVBAGLBSA-N -1 0 309.326 -0.649 20 0 DBADRM CC(=O)N1CCC[C@@H](CNC(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001609591340 1019526742 /nfs/dbraw/zinc/52/67/42/1019526742.db2.gz UPZIDSUVYKDPSJ-JTQLQIEISA-N -1 0 309.326 -0.649 20 0 DBADRM O=S(=O)(Oc1ccc(F)nc1-c1nnn[n-]1)[C@H]1CCOC1 ZINC001609596728 1019528754 /nfs/dbraw/zinc/52/87/54/1019528754.db2.gz GSEGLRLDKUGYMW-LURJTMIESA-N -1 0 315.286 -0.102 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1C[C@@H]2C[C@]2(CO)C1 ZINC001609597086 1019529121 /nfs/dbraw/zinc/52/91/21/1019529121.db2.gz BLVNAXQRAUGATB-WRWORJQWSA-N -1 0 311.323 -0.537 20 0 DBADRM O=S(=O)(N[C@@H]1C=C[C@H](CO)C1)c1cccnc1-c1nnn[n-]1 ZINC001609595504 1019529653 /nfs/dbraw/zinc/52/96/53/1019529653.db2.gz HOIDKIZEPOIHPG-DTWKUNHWSA-N -1 0 322.350 -0.523 20 0 DBADRM CC(C)(F)C(=O)N1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001505819130 1019529896 /nfs/dbraw/zinc/52/98/96/1019529896.db2.gz LJUBYWBWMSVGAI-SSDOTTSWSA-N -1 0 315.305 -0.846 20 0 DBADRM CC(=O)Nc1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])ccc1C ZINC001609623260 1019535764 /nfs/dbraw/zinc/53/57/64/1019535764.db2.gz CSAUKLDHYXDTRF-LLVKDONJSA-N -1 0 316.335 -0.323 20 0 DBADRM C[C@@H](C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1)S(C)(=O)=O ZINC001609632797 1019537904 /nfs/dbraw/zinc/53/79/04/1019537904.db2.gz GUJYCBKIKHFXRT-QMMMGPOBSA-N -1 0 318.351 -0.358 20 0 DBADRM C[C@H](C(=O)N1CCSC[C@@H](C(=O)[O-])C1)N1C(=O)CCC1=O ZINC001609633485 1019540075 /nfs/dbraw/zinc/54/00/75/1019540075.db2.gz DMWIDLVBUIAHFA-BDAKNGLRSA-N -1 0 314.363 -0.200 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001609635278 1019542055 /nfs/dbraw/zinc/54/20/55/1019542055.db2.gz ULWZQWSKUZEHCP-ZJUUUORDSA-N -1 0 306.384 -0.525 20 0 DBADRM CC(C)(C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)N1CCOCC1 ZINC001609647340 1019542138 /nfs/dbraw/zinc/54/21/38/1019542138.db2.gz FKWLJTQUTFOWTL-MNOVXSKESA-N -1 0 300.355 -0.609 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC001609659093 1019543816 /nfs/dbraw/zinc/54/38/16/1019543816.db2.gz YUMNXMLWJOBZIR-JGVFFNPUSA-N -1 0 302.283 -0.965 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001609655428 1019543956 /nfs/dbraw/zinc/54/39/56/1019543956.db2.gz XEJSVUOKLKPFSR-SKDRFNHKSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(C)C[C@H](O)CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001609656023 1019544202 /nfs/dbraw/zinc/54/42/02/1019544202.db2.gz BNKWQJJJGXPMKI-ZJUUUORDSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001609659555 1019544776 /nfs/dbraw/zinc/54/47/76/1019544776.db2.gz XOMKSSOXUBNWDZ-VHSXEESVSA-N -1 0 316.354 -0.788 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)C(C)(C)C(=O)[O-] ZINC001609658265 1019545708 /nfs/dbraw/zinc/54/57/08/1019545708.db2.gz KCWVRAVRHHZSMT-UHFFFAOYSA-N -1 0 323.367 -0.073 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@H](C)O[C@H](CO)C1)C(=O)[O-] ZINC001609693613 1019547242 /nfs/dbraw/zinc/54/72/42/1019547242.db2.gz WLZGUNAIKINCMC-SRVKXCTJSA-N -1 0 302.371 -0.317 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)C(C)(C)C(N)=O)C(=O)[O-] ZINC001609693817 1019548440 /nfs/dbraw/zinc/54/84/40/1019548440.db2.gz FHGKVCFDLXBIEO-MRVPVSSYSA-N -1 0 302.327 -0.343 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1)C(=O)[O-] ZINC001609676716 1019548477 /nfs/dbraw/zinc/54/84/77/1019548477.db2.gz DOGFDZXMXCZJGA-MRVPVSSYSA-N -1 0 305.356 -0.864 20 0 DBADRM CC(C)(CS(=O)(=O)N1CC(=O)N(CC2CC2)C1)C(=O)[O-] ZINC001609677156 1019549019 /nfs/dbraw/zinc/54/90/19/1019549019.db2.gz OOTINWOMHOPKFT-UHFFFAOYSA-N -1 0 304.368 -0.061 20 0 DBADRM CC(C)(NC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC001609678632 1019548862 /nfs/dbraw/zinc/54/88/62/1019548862.db2.gz XFEHXTGZSPXNKW-UHFFFAOYSA-N -1 0 318.293 -0.420 20 0 DBADRM CC(C)CCNC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001609696558 1019550768 /nfs/dbraw/zinc/55/07/68/1019550768.db2.gz STNSQQGBUAFLFW-LLVKDONJSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)N1C(=O)C(=O)N(CN2CCOC[C@H]2CC(=O)[O-])C1=O ZINC001609705400 1019550971 /nfs/dbraw/zinc/55/09/71/1019550971.db2.gz VWCKJZYLTXHSTC-SECBINFHSA-N -1 0 313.310 -0.681 20 0 DBADRM CC(C)NC(=O)CNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001609707122 1019552120 /nfs/dbraw/zinc/55/21/20/1019552120.db2.gz NCEUMFMIOUVRFO-SECBINFHSA-N -1 0 324.341 -0.543 20 0 DBADRM CC(C)C[C@H](NC(=O)CNc1ccnc(C(N)=O)c1)C(=O)[O-] ZINC001609702530 1019552438 /nfs/dbraw/zinc/55/24/38/1019552438.db2.gz OXGPSOSQCBTMBI-NSHDSACASA-N -1 0 308.338 -0.370 20 0 DBADRM CC(C)OC(=O)CNC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001609708981 1019552514 /nfs/dbraw/zinc/55/25/14/1019552514.db2.gz OPRSCFWOQKKRDH-UHFFFAOYSA-N -1 0 307.368 -0.050 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001609707294 1019552649 /nfs/dbraw/zinc/55/26/49/1019552649.db2.gz AXPXTZLQOOPYSY-UHFFFAOYSA-N -1 0 318.355 -0.725 20 0 DBADRM CC(C)CN(CCC(=O)[O-])CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001609698460 1019552679 /nfs/dbraw/zinc/55/26/79/1019552679.db2.gz HKOGCNSZAHRSGF-NSHDSACASA-N -1 0 320.411 -0.278 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccnc2C(N)=O)CC1 ZINC001609735115 1019554282 /nfs/dbraw/zinc/55/42/82/1019554282.db2.gz KINCCUCBHIAEJX-JTQLQIEISA-N -1 0 320.349 -0.199 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)OCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC001609733024 1019554966 /nfs/dbraw/zinc/55/49/66/1019554966.db2.gz WLTVXNAWFLXHHT-LURJTMIESA-N -1 0 324.293 -0.886 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC[C@H](CS(C)(=O)=O)C1)C(=O)[O-] ZINC001609716923 1019556110 /nfs/dbraw/zinc/55/61/10/1019556110.db2.gz YVVXUYFFNWEYRZ-JQWIXIFHSA-N -1 0 320.411 -0.422 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)OCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC001609733025 1019556384 /nfs/dbraw/zinc/55/63/84/1019556384.db2.gz WLTVXNAWFLXHHT-ZCFIWIBFSA-N -1 0 324.293 -0.886 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCO[C@]2(CCOC2)C1)C(=O)[O-] ZINC001609716861 1019556405 /nfs/dbraw/zinc/55/64/05/1019556405.db2.gz XPEUUEMEJNGLRN-GXTWGEPZSA-N -1 0 300.355 -0.297 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001609747400 1019557673 /nfs/dbraw/zinc/55/76/73/1019557673.db2.gz BNYVEUUHCSKECB-ZETCQYMHSA-N -1 0 301.386 -0.550 20 0 DBADRM C[C@@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)C2)S(N)(=O)=O ZINC001609744463 1019557815 /nfs/dbraw/zinc/55/78/15/1019557815.db2.gz GMHUQKBUZNUJRN-RKWZHAFESA-N -1 0 304.368 -0.185 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001609747425 1019558631 /nfs/dbraw/zinc/55/86/31/1019558631.db2.gz BSAZDTACEXRQKC-VIFPVBQESA-N -1 0 307.368 -0.335 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCCCCC(=O)[O-] ZINC001609743138 1019559134 /nfs/dbraw/zinc/55/91/34/1019559134.db2.gz FRQQELRTGWFIST-NSHDSACASA-N -1 0 315.370 -0.806 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001609747715 1019559430 /nfs/dbraw/zinc/55/94/30/1019559430.db2.gz HFZXCKUDOGASHG-BTKVJGODSA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)NC[C@H](O)C(=O)[O-] ZINC001609769521 1019561417 /nfs/dbraw/zinc/56/14/17/1019561417.db2.gz WRPPYZZNNNOVID-XVKPBYJWSA-N -1 0 320.305 -0.757 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001609771821 1019561501 /nfs/dbraw/zinc/56/15/01/1019561501.db2.gz PHFGRAMUVPJYKT-WPRPVWTQSA-N -1 0 323.305 -0.800 20 0 DBADRM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001609755441 1019561602 /nfs/dbraw/zinc/56/16/02/1019561602.db2.gz WQPULXONGVTWMN-FKTZTGRPSA-N -1 0 302.327 -0.510 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C1CCOCC1 ZINC001609756780 1019561730 /nfs/dbraw/zinc/56/17/30/1019561730.db2.gz HLKOSZGPYRYFIY-MWLCHTKSSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@@](NCC(=O)N1CCNC(=O)C1)(C(=O)[O-])c1ccc(F)cc1 ZINC001609779330 1019561860 /nfs/dbraw/zinc/56/18/60/1019561860.db2.gz PPUNXWNPIVTEHF-HNNXBMFYSA-N -1 0 323.324 -0.327 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC001609783477 1019562317 /nfs/dbraw/zinc/56/23/17/1019562317.db2.gz UDAJFJOZPKOVPT-LURJTMIESA-N -1 0 321.380 -0.329 20 0 DBADRM C[C@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)c1ncn(C)n1 ZINC001609783735 1019562498 /nfs/dbraw/zinc/56/24/98/1019562498.db2.gz WUJDMBRVRMLUBV-ZETCQYMHSA-N -1 0 311.323 -0.052 20 0 DBADRM CC(C)C(=O)NC1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001609789218 1019563753 /nfs/dbraw/zinc/56/37/53/1019563753.db2.gz FEHIRYQTPYCABO-LLVKDONJSA-N -1 0 311.338 -0.021 20 0 DBADRM C[C@@](O)(Cn1cnc2c(cnn2CC(=O)[O-])c1=O)C(F)(F)F ZINC001609789717 1019563841 /nfs/dbraw/zinc/56/38/41/1019563841.db2.gz UAHQOJFCKQMBSM-SNVBAGLBSA-N -1 0 320.227 -0.009 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC001609790055 1019564170 /nfs/dbraw/zinc/56/41/70/1019564170.db2.gz WZSBKFHWQCPREA-HQJQHLMTSA-N -1 0 310.306 -0.130 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)Nc2cccc(CC(=O)[O-])n2)nn1 ZINC001609790094 1019564459 /nfs/dbraw/zinc/56/44/59/1019564459.db2.gz BEOKHUQFDVWUEQ-MRVPVSSYSA-N -1 0 305.294 -0.008 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)c1cc(C(=O)[O-])co1 ZINC001609785941 1019564635 /nfs/dbraw/zinc/56/46/35/1019564635.db2.gz LNCKANGDFYUJRF-ZCFIWIBFSA-N -1 0 319.291 -0.359 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC001609790056 1019564781 /nfs/dbraw/zinc/56/47/81/1019564781.db2.gz WZSBKFHWQCPREA-RDDDGLTNSA-N -1 0 310.306 -0.130 20 0 DBADRM C[C@@H](O)C[C@@H]1COCCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001609787587 1019565229 /nfs/dbraw/zinc/56/52/29/1019565229.db2.gz IHHIURWTQDHFPI-NXEZZACHSA-N -1 0 309.384 -0.101 20 0 DBADRM C[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001609788877 1019565411 /nfs/dbraw/zinc/56/54/11/1019565411.db2.gz LVCDRKPQHHFARO-GXSJLCMTSA-N -1 0 317.367 -0.108 20 0 DBADRM C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001609788880 1019565581 /nfs/dbraw/zinc/56/55/81/1019565581.db2.gz LVCDRKPQHHFARO-ONGXEEELSA-N -1 0 317.367 -0.108 20 0 DBADRM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)c1ccnn1C ZINC001575416091 1019565788 /nfs/dbraw/zinc/56/57/88/1019565788.db2.gz FISPUPJJUMKBTD-ZCFIWIBFSA-N -1 0 317.313 -0.427 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001609803129 1019566756 /nfs/dbraw/zinc/56/67/56/1019566756.db2.gz YERSQSZEFDRJHJ-UWVGGRQHSA-N -1 0 312.326 -0.323 20 0 DBADRM C[C@@H](OC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)C(=O)[O-] ZINC001609801012 1019567487 /nfs/dbraw/zinc/56/74/87/1019567487.db2.gz WUTUAKHSAZPSGV-MRVPVSSYSA-N -1 0 306.274 -0.075 20 0 DBADRM C[C@@H](OC(=O)C1CN(CC(F)(F)F)C1)C(=O)NCC(=O)[O-] ZINC001609791886 1019568067 /nfs/dbraw/zinc/56/80/67/1019568067.db2.gz CVDCXFBZQDHZMI-ZCFIWIBFSA-N -1 0 312.244 -0.387 20 0 DBADRM C[C@H](OC(=O)c1ccccc1OCC(N)=O)C(=O)NCC(=O)[O-] ZINC001609800561 1019569021 /nfs/dbraw/zinc/56/90/21/1019569021.db2.gz KMLOKSMDCDLSAM-QMMMGPOBSA-N -1 0 324.289 -0.703 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)NCCN2CCNC(=O)C2)C1 ZINC001609809884 1019569913 /nfs/dbraw/zinc/56/99/13/1019569913.db2.gz JVLSZJSGWQJZHA-AWEZNQCLSA-N -1 0 312.370 -0.686 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC[C@@H](CO)C2)C1 ZINC001609812808 1019569937 /nfs/dbraw/zinc/56/99/37/1019569937.db2.gz ACZFNRZTRVTTTC-IAQYHMDHSA-N -1 0 312.366 -0.069 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C2=NN(CCO)C(=O)CC2)C1 ZINC001609813760 1019570990 /nfs/dbraw/zinc/57/09/90/1019570990.db2.gz FPLZUDKJGGRLJO-AWEZNQCLSA-N -1 0 311.338 -0.330 20 0 DBADRM CC1(C)SC[C@@H]1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001609819593 1019572897 /nfs/dbraw/zinc/57/28/97/1019572897.db2.gz LBGGTXOWXILNDT-VGMNWLOBSA-N -1 0 316.379 -0.709 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001609830456 1019573708 /nfs/dbraw/zinc/57/37/08/1019573708.db2.gz KVQBSTDRPADMHZ-MRVPVSSYSA-N -1 0 322.321 -0.649 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001609833325 1019576130 /nfs/dbraw/zinc/57/61/30/1019576130.db2.gz LAXUBPZWZRYMJL-RQJHMYQMSA-N -1 0 302.308 -0.138 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001609833051 1019576175 /nfs/dbraw/zinc/57/61/75/1019576175.db2.gz LAXUBPZWZRYMJL-BQBZGAKWSA-N -1 0 302.308 -0.138 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCc1cnccn1 ZINC001609836781 1019576616 /nfs/dbraw/zinc/57/66/16/1019576616.db2.gz URTZZKUNJIMFPO-GXSJLCMTSA-N -1 0 306.322 -0.543 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NC1COC(C)(C)OC1 ZINC001609838237 1019576671 /nfs/dbraw/zinc/57/66/71/1019576671.db2.gz XHFZOVZHSZCBHY-SCZZXKLOSA-N -1 0 314.338 -0.424 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC001609832464 1019577725 /nfs/dbraw/zinc/57/77/25/1019577725.db2.gz HZYBXFAQCRMOMG-MIMYLULJSA-N -1 0 320.349 -0.295 20 0 DBADRM C[C@H]1C[C@H](C(=O)O[C@@H]2COC[C@H]2n2cc(C(=O)[O-])nn2)CO1 ZINC001609842295 1019578582 /nfs/dbraw/zinc/57/85/82/1019578582.db2.gz KUFXESVUQNSFDN-OINDSLJFSA-N -1 0 311.294 -0.116 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCCO1 ZINC001609864255 1019578857 /nfs/dbraw/zinc/57/88/57/1019578857.db2.gz ZFCVJISGHXUBRI-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C[C@@H]1F ZINC001609855032 1019580555 /nfs/dbraw/zinc/58/05/55/1019580555.db2.gz KLBOMOYGYNIIGV-DBIOUOCHSA-N -1 0 316.329 -0.513 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](C)(C(=O)[O-])C2)CC[C@H]1O ZINC001609861985 1019580712 /nfs/dbraw/zinc/58/07/12/1019580712.db2.gz APRAWTPIQNLNJY-HFAKWTLXSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(CC(=O)NC2(C(=O)[O-])CCCCC2)C[C@H](CO)O1 ZINC001609871415 1019582383 /nfs/dbraw/zinc/58/23/83/1019582383.db2.gz VNGUJOGLIJSLCD-VXGBXAGGSA-N -1 0 314.382 -0.028 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)Nc1ccn(C)n1 ZINC001609867501 1019582394 /nfs/dbraw/zinc/58/23/94/1019582394.db2.gz KXNUGOGYGQFPBL-JTQLQIEISA-N -1 0 323.353 -0.634 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])CC(=O)N1C ZINC001609873914 1019582951 /nfs/dbraw/zinc/58/29/51/1019582951.db2.gz RJJTXVBZIQIHPZ-ZCFIWIBFSA-N -1 0 319.364 -0.308 20 0 DBADRM C[C@H]1CN(C(=O)CCCS(C)(=O)=O)CCN1CCC(=O)[O-] ZINC001609866388 1019583453 /nfs/dbraw/zinc/58/34/53/1019583453.db2.gz ZXPDZDPBQZIGTJ-NSHDSACASA-N -1 0 320.411 -0.181 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CC(=O)N1C ZINC001609873353 1019583486 /nfs/dbraw/zinc/58/34/86/1019583486.db2.gz NCAFMMDXEBEXLL-MRVPVSSYSA-N -1 0 313.335 -0.369 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCCO1 ZINC001609864261 1019583562 /nfs/dbraw/zinc/58/35/62/1019583562.db2.gz ZFCVJISGHXUBRI-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001609871230 1019583712 /nfs/dbraw/zinc/58/37/12/1019583712.db2.gz SLBSBJLYGMVJCT-CIQGVGRVSA-N -1 0 323.393 -0.092 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001609886878 1019585628 /nfs/dbraw/zinc/58/56/28/1019585628.db2.gz IDUWFLFBBBBCIB-LBPRGKRZSA-N -1 0 311.382 -0.136 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC001609885878 1019585834 /nfs/dbraw/zinc/58/58/34/1019585834.db2.gz RKAQBUAWTXRNJU-ZETCQYMHSA-N -1 0 304.324 -0.078 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CCCC(=O)[O-])[C@@H](C)CN1CCO ZINC001609875101 1019585949 /nfs/dbraw/zinc/58/59/49/1019585949.db2.gz RYPCKUUNYOZRPQ-QWRGUYRKSA-N -1 0 308.400 -0.432 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001609878137 1019586846 /nfs/dbraw/zinc/58/68/46/1019586846.db2.gz KZJKFXQAGXHRFU-WPRPVWTQSA-N -1 0 316.335 -0.450 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001609887173 1019587327 /nfs/dbraw/zinc/58/73/27/1019587327.db2.gz NKRVVYPDPAOXHI-OTYXRUKQSA-N -1 0 311.338 -0.066 20 0 DBADRM C[C@@H]1OCC[C@H]1N(CCO)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001609880634 1019587511 /nfs/dbraw/zinc/58/75/11/1019587511.db2.gz MCOBJQZLXVIGPR-VHSXEESVSA-N -1 0 310.372 -0.891 20 0 DBADRM C[C@@H]1COCCN1CCNS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001609876561 1019587526 /nfs/dbraw/zinc/58/75/26/1019587526.db2.gz HOUURWPSYJCFOH-SECBINFHSA-N -1 0 318.351 -0.023 20 0 DBADRM C[C@@H]1OCC[C@@]12CN(C(=O)Cn1cc(C(=O)[O-])nn1)CCO2 ZINC001609878966 1019587711 /nfs/dbraw/zinc/58/77/11/1019587711.db2.gz NYNLCFQMWNFXKZ-TVQRCGJNSA-N -1 0 310.310 -0.617 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001609888126 1019588210 /nfs/dbraw/zinc/58/82/10/1019588210.db2.gz YGPHPGSASAHKGT-MNOVXSKESA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C(=O)NCc1ccco1 ZINC001609913824 1019588261 /nfs/dbraw/zinc/58/82/61/1019588261.db2.gz AGXFXXHEJXUCFF-XVKPBYJWSA-N -1 0 309.278 -0.370 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001609888132 1019588921 /nfs/dbraw/zinc/58/89/21/1019588921.db2.gz YGPHPGSASAHKGT-WDEREUQCSA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCC(C(=O)[O-])CC1)c1ncnn1C ZINC001609913854 1019589095 /nfs/dbraw/zinc/58/90/95/1019589095.db2.gz BNHIVBJFCAVTEP-MRVPVSSYSA-N -1 0 309.326 -0.685 20 0 DBADRM CC[C@H](C)[C@H](O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001609898252 1019589272 /nfs/dbraw/zinc/58/92/72/1019589272.db2.gz AQAKDAWNFOVBKF-WCBMZHEXSA-N -1 0 305.356 -0.347 20 0 DBADRM C[C@@H](O)C(C)(C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001575472133 1019590089 /nfs/dbraw/zinc/59/00/89/1019590089.db2.gz HGVILWCSDZQSCY-SSDOTTSWSA-N -1 0 323.357 -0.917 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001575476594 1019590125 /nfs/dbraw/zinc/59/01/25/1019590125.db2.gz UVLKSGNPVNZONM-UHFFFAOYSA-N -1 0 311.342 -0.506 20 0 DBADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cn1cnc(C(N)=O)n1 ZINC001609894554 1019590981 /nfs/dbraw/zinc/59/09/81/1019590981.db2.gz XSDVWGADYHDHIT-AWEZNQCLSA-N -1 0 323.353 -0.131 20 0 DBADRM CC[C@H](CNC(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)[O-] ZINC001609919802 1019590993 /nfs/dbraw/zinc/59/09/93/1019590993.db2.gz IOJWXUSNRJBVDD-NQTXRORDSA-N -1 0 311.338 -0.018 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001609893539 1019591058 /nfs/dbraw/zinc/59/10/58/1019591058.db2.gz WXAPLTCSWNPUFU-LPEHRKFASA-N -1 0 314.338 -0.247 20 0 DBADRM CC[C@@H]1CN(CCC(=O)NCC(=O)[O-])C[C@@H](C)S1(=O)=O ZINC001609949569 1019592916 /nfs/dbraw/zinc/59/29/16/1019592916.db2.gz WYPBOQFRPLXRPU-NXEZZACHSA-N -1 0 306.384 -0.525 20 0 DBADRM CCCC(=O)N1CCC[C@H](C(=O)NCC(=O)NCC(=O)[O-])C1 ZINC001609951506 1019593185 /nfs/dbraw/zinc/59/31/85/1019593185.db2.gz MAXVOPXAIASVBS-JTQLQIEISA-N -1 0 313.354 -0.658 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)C(=O)[O-] ZINC001609943360 1019593244 /nfs/dbraw/zinc/59/32/44/1019593244.db2.gz XZCWTJOPOFTRML-ZDUSSCGKSA-N -1 0 310.262 -0.694 20 0 DBADRM CCCC(=O)N1CCC[C@@H](C(=O)NCC(=O)NCC(=O)[O-])C1 ZINC001609951508 1019593906 /nfs/dbraw/zinc/59/39/06/1019593906.db2.gz MAXVOPXAIASVBS-SNVBAGLBSA-N -1 0 313.354 -0.658 20 0 DBADRM CC[NH+]1CCN(CCNS(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC001610009341 1019602773 /nfs/dbraw/zinc/60/27/73/1019602773.db2.gz QSXKSLWDROBGDA-NSHDSACASA-N -1 0 307.416 -0.736 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC001609955297 1019595019 /nfs/dbraw/zinc/59/50/19/1019595019.db2.gz HDHSOTFTQNXDAL-CQSZACIVSA-N -1 0 307.306 -0.070 20 0 DBADRM C[C@](O)(CNC(=O)Nc1ccc2c(c1)OCC(=O)N2)C(=O)[O-] ZINC001609956007 1019595151 /nfs/dbraw/zinc/59/51/51/1019595151.db2.gz ZJFMPOYYTUDULJ-ZDUSSCGKSA-N -1 0 309.278 -0.025 20 0 DBADRM CCCN(C(=O)c1cc(C(=O)[O-])no1)[C@H]1CC(=O)N(C)C1=O ZINC001609974033 1019595201 /nfs/dbraw/zinc/59/52/01/1019595201.db2.gz RPFALEJOFCQMHE-QMMMGPOBSA-N -1 0 309.278 -0.018 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC001609973638 1019595583 /nfs/dbraw/zinc/59/55/83/1019595583.db2.gz ZXPAWAKLPTWVFD-SRVKXCTJSA-N -1 0 312.366 -0.071 20 0 DBADRM CC[C@H]1CCN(C(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001609953021 1019595769 /nfs/dbraw/zinc/59/57/69/1019595769.db2.gz XCNQMDCDPZXINJ-CMPLNLGQSA-N -1 0 312.366 -0.071 20 0 DBADRM Cc1ccc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001505918625 1019596366 /nfs/dbraw/zinc/59/63/66/1019596366.db2.gz OWCOTPHZJYFCNT-VIFPVBQESA-N -1 0 305.342 -0.141 20 0 DBADRM CCCN(CN1C[C@@H](C(=O)[O-])OC1=O)[C@H]1CCS(=O)(=O)C1 ZINC001609978261 1019596326 /nfs/dbraw/zinc/59/63/26/1019596326.db2.gz VRPJPPWXOOMWBU-UWVGGRQHSA-N -1 0 320.367 -0.252 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001609973427 1019596365 /nfs/dbraw/zinc/59/63/65/1019596365.db2.gz VXCCVRALVJFQSR-MNOVXSKESA-N -1 0 300.355 -0.071 20 0 DBADRM CCCCn1nnnc1CN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001609973194 1019596537 /nfs/dbraw/zinc/59/65/37/1019596537.db2.gz KGGJSWHLNKMSDO-SNVBAGLBSA-N -1 0 310.358 -0.362 20 0 DBADRM C[C@H](OC(=O)CCC(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001609982841 1019598193 /nfs/dbraw/zinc/59/81/93/1019598193.db2.gz YTXPYVZXEHAKPT-JGVFFNPUSA-N -1 0 307.324 -0.914 20 0 DBADRM CCCNS(=O)(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001609980370 1019598769 /nfs/dbraw/zinc/59/87/69/1019598769.db2.gz YNMPSYIZYSCYIV-VIFPVBQESA-N -1 0 309.388 -0.564 20 0 DBADRM C[C@@H](OC(=O)CCC(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001609982840 1019599156 /nfs/dbraw/zinc/59/91/56/1019599156.db2.gz YTXPYVZXEHAKPT-HTQZYQBOSA-N -1 0 307.324 -0.914 20 0 DBADRM CCN(C)[C@H](C(=O)NCC(=O)NCC(=O)[O-])c1ccccc1 ZINC001609990655 1019599273 /nfs/dbraw/zinc/59/92/73/1019599273.db2.gz PPAPASCGTOSISC-AWEZNQCLSA-N -1 0 307.350 -0.004 20 0 DBADRM CCN1C[C@@H](C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)CC1=O ZINC001610005018 1019599558 /nfs/dbraw/zinc/59/95/58/1019599558.db2.gz WMQDPTAVPPORDB-CABZTGNLSA-N -1 0 314.338 -0.377 20 0 DBADRM CCN(C)C(=O)CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001609990432 1019599622 /nfs/dbraw/zinc/59/96/22/1019599622.db2.gz KAAHCFISIXUNEK-UHFFFAOYSA-N -1 0 304.328 -0.827 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001609989310 1019600038 /nfs/dbraw/zinc/60/00/38/1019600038.db2.gz FFYXXKWMQCTCKA-MRVPVSSYSA-N -1 0 324.337 -0.355 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])CC1=O ZINC001610006989 1019601207 /nfs/dbraw/zinc/60/12/07/1019601207.db2.gz JDRQRJMXCZVDHV-JTQLQIEISA-N -1 0 311.338 -0.857 20 0 DBADRM CCN1CCCN(Cn2nc(C(=O)OC)cc2C(=O)[O-])CC1=O ZINC001610008714 1019601397 /nfs/dbraw/zinc/60/13/97/1019601397.db2.gz YXXSCCIOXAEORZ-UHFFFAOYSA-N -1 0 324.337 -0.120 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)NCC2(C(=O)[O-])CC2)C1 ZINC001610011283 1019601782 /nfs/dbraw/zinc/60/17/82/1019601782.db2.gz NSRBBFJVJOILHB-VIFPVBQESA-N -1 0 319.383 -0.426 20 0 DBADRM CCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1=O ZINC001610008177 1019602683 /nfs/dbraw/zinc/60/26/83/1019602683.db2.gz HOGBXXMWVWDTOT-UHFFFAOYSA-N -1 0 302.308 -0.169 20 0 DBADRM CCN1CCN(c2cc(C)nc3nc(C(=O)[O-])nn32)CC1=O ZINC001610007619 1019602749 /nfs/dbraw/zinc/60/27/49/1019602749.db2.gz FRMURUGQCNLHIF-UHFFFAOYSA-N -1 0 304.310 -0.201 20 0 DBADRM CCNC(=O)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC001610008328 1019602878 /nfs/dbraw/zinc/60/28/78/1019602878.db2.gz GYCRESQEEOGNKW-UHFFFAOYSA-N -1 0 314.319 -0.137 20 0 DBADRM CCN1CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1=O ZINC001610010044 1019602966 /nfs/dbraw/zinc/60/29/66/1019602966.db2.gz XPIZBQNCNFATPU-UHFFFAOYSA-N -1 0 319.317 -0.100 20 0 DBADRM CCO[C@@H]1C[C@H]1C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001610027994 1019604928 /nfs/dbraw/zinc/60/49/28/1019604928.db2.gz BEYZLBGPDDIGFO-NXEZZACHSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC3(C2)OCCO3)C1 ZINC001610018132 1019604979 /nfs/dbraw/zinc/60/49/79/1019604979.db2.gz BLNTXZRGVFURFH-ZDUSSCGKSA-N -1 0 312.322 -0.715 20 0 DBADRM CCO[C@@H]1C[C@@](NC(=O)CSCC(N)=O)(C(=O)[O-])C1(C)C ZINC001610030485 1019605499 /nfs/dbraw/zinc/60/54/99/1019605499.db2.gz LQQMWQPDIXUGOD-AMIZOPFISA-N -1 0 318.395 -0.021 20 0 DBADRM CCO[C@H]1C[C@H]1C(=O)O[C@@H]1COC[C@H]1n1cc(C(=O)[O-])nn1 ZINC001610028431 1019605817 /nfs/dbraw/zinc/60/58/17/1019605817.db2.gz GCASRNGQHMKBFG-CZULRBLNSA-N -1 0 311.294 -0.116 20 0 DBADRM CCO[C@H]1C[C@@](NC(=O)CSCC(N)=O)(C(=O)[O-])C1(C)C ZINC001610030487 1019606280 /nfs/dbraw/zinc/60/62/80/1019606280.db2.gz LQQMWQPDIXUGOD-ISVAXAHUSA-N -1 0 318.395 -0.021 20 0 DBADRM CCOCCCC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001610033811 1019606720 /nfs/dbraw/zinc/60/67/20/1019606720.db2.gz TXMFTEGNNVNBSJ-UHFFFAOYSA-N -1 0 307.368 -0.049 20 0 DBADRM CCOC(=O)CN(C)C(=O)COC(=O)c1ccc(C(=O)[O-])cn1 ZINC001610016058 1019606888 /nfs/dbraw/zinc/60/68/88/1019606888.db2.gz QESWRLZWKLUNDS-UHFFFAOYSA-N -1 0 324.289 -0.042 20 0 DBADRM CCOC(=O)[C@H]1CNCCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC001610013990 1019606963 /nfs/dbraw/zinc/60/69/63/1019606963.db2.gz IWTUIWJUTOGNFE-LLVKDONJSA-N -1 0 307.306 -0.243 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](CF)C(=O)[O-])C1 ZINC001610047846 1019607654 /nfs/dbraw/zinc/60/76/54/1019607654.db2.gz ARWUQVTZWMTLPS-RKDXNWHRSA-N -1 0 310.347 -0.413 20 0 DBADRM C[C@@]1(O)CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC001610053940 1019608715 /nfs/dbraw/zinc/60/87/15/1019608715.db2.gz NVCHIYGYOWRHGE-QMTHXVAHSA-N -1 0 314.338 -0.938 20 0 DBADRM CCS(=O)(=O)CCCNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001610049841 1019608759 /nfs/dbraw/zinc/60/87/59/1019608759.db2.gz WDAFEZUHEQTCOL-NXEZZACHSA-N -1 0 322.383 -0.712 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001610048279 1019608777 /nfs/dbraw/zinc/60/87/77/1019608777.db2.gz QCKWAMMPDRNDBH-UHFFFAOYSA-N -1 0 317.367 -0.001 20 0 DBADRM CCS(=O)(=O)NCC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001610049063 1019608849 /nfs/dbraw/zinc/60/88/49/1019608849.db2.gz XHNTTZTZWVPFOU-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)c1cc(C(=O)[O-])ccn1 ZINC001610047986 1019609306 /nfs/dbraw/zinc/60/93/06/1019609306.db2.gz HWIHELZGQFQMBO-UHFFFAOYSA-N -1 0 315.351 -0.161 20 0 DBADRM CCS(=O)(=O)C1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001610050683 1019609454 /nfs/dbraw/zinc/60/94/54/1019609454.db2.gz BXCRTQTWRUSRRH-UHFFFAOYSA-N -1 0 322.364 -0.480 20 0 DBADRM CCn1cc(NC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)cn1 ZINC001610083047 1019610732 /nfs/dbraw/zinc/61/07/32/1019610732.db2.gz ZHBQBMDJYBTWJD-UHFFFAOYSA-N -1 0 306.282 -0.088 20 0 DBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001610068619 1019611614 /nfs/dbraw/zinc/61/16/14/1019611614.db2.gz WGZKDPMUYVYJLA-JFGNBEQYSA-N -1 0 311.338 -0.463 20 0 DBADRM C[C@H]1CCCN(C(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1 ZINC001610081941 1019612069 /nfs/dbraw/zinc/61/20/69/1019612069.db2.gz ZWYWWDGJAXXTAU-QWRGUYRKSA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001610068344 1019612298 /nfs/dbraw/zinc/61/22/98/1019612298.db2.gz RTZMNAOWFBLVOY-SECBINFHSA-N -1 0 311.338 -0.953 20 0 DBADRM CN(C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)C(C1CC1)C1CC1 ZINC001610088356 1019613880 /nfs/dbraw/zinc/61/38/80/1019613880.db2.gz VROIVSAQOMDGBT-NEPJUHHUSA-N -1 0 324.377 -0.073 20 0 DBADRM CCn1ncnc1CNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001610086493 1019613895 /nfs/dbraw/zinc/61/38/95/1019613895.db2.gz RDSBZZVJEWDNMV-VIFPVBQESA-N -1 0 309.326 -0.763 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)O1 ZINC001610093589 1019614328 /nfs/dbraw/zinc/61/43/28/1019614328.db2.gz ONMATVUTJKNDQZ-ZRUFSTJUSA-N -1 0 313.354 -0.215 20 0 DBADRM CN(C)C(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001610093623 1019614535 /nfs/dbraw/zinc/61/45/35/1019614535.db2.gz OVBPPTLHOXVDCV-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM CCn1ncc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])n1 ZINC001610087457 1019614624 /nfs/dbraw/zinc/61/46/24/1019614624.db2.gz AHDVOGUPRTUNIA-WCBMZHEXSA-N -1 0 310.310 -0.224 20 0 DBADRM CCn1cc(-c2nn(C)cc2C(=O)N[C@@H](CO)C(=O)[O-])cn1 ZINC001610086792 1019615264 /nfs/dbraw/zinc/61/52/64/1019615264.db2.gz WNXTWPIAKBXNHW-JTQLQIEISA-N -1 0 307.310 -0.521 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)O1 ZINC001610093585 1019615491 /nfs/dbraw/zinc/61/54/91/1019615491.db2.gz ONMATVUTJKNDQZ-LMLFDSFASA-N -1 0 313.354 -0.215 20 0 DBADRM CN(CC(C)(C)CO)C(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001610110185 1019617868 /nfs/dbraw/zinc/61/78/68/1019617868.db2.gz MBGHTNQOXXFFGN-SNVBAGLBSA-N -1 0 300.355 -0.071 20 0 DBADRM CN(CC(=O)N1CC(C)(C(=O)[O-])C1)c1ncnc2nc[nH]c21 ZINC001610108370 1019618178 /nfs/dbraw/zinc/61/81/78/1019618178.db2.gz DUHPZRVAGINNIC-UHFFFAOYSA-N -1 0 304.310 -0.278 20 0 DBADRM C[C@@H]1c2nncn2CCN1C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001610109733 1019618641 /nfs/dbraw/zinc/61/86/41/1019618641.db2.gz UVYNSIWMIBUOKG-OTYXRUKQSA-N -1 0 321.337 -0.496 20 0 DBADRM CN(Cc1ccon1)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001610124857 1019622792 /nfs/dbraw/zinc/62/27/92/1019622792.db2.gz LBTPFRHWGDJJIK-UHFFFAOYSA-N -1 0 307.266 -0.297 20 0 DBADRM CN(Cc1ccccn1)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001610125494 1019623063 /nfs/dbraw/zinc/62/30/63/1019623063.db2.gz YYCTWGKMMNUPBO-PWSUYJOCSA-N -1 0 321.333 -0.666 20 0 DBADRM CC(C)[C@]1(C)C[C@@H]1C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575526454 1019623406 /nfs/dbraw/zinc/62/34/06/1019623406.db2.gz SGFTVDZLYHVJQE-CLAHSXSESA-N -1 0 323.353 -0.189 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC001610152711 1019636758 /nfs/dbraw/zinc/63/67/58/1019636758.db2.gz KBHDPYIXHILCGV-UTLUCORTSA-N -1 0 323.367 -0.311 20 0 DBADRM CNC(=O)CC(=O)NC1(C(=O)OC)CCC(C(=O)[O-])CC1 ZINC001610139339 1019626355 /nfs/dbraw/zinc/62/63/55/1019626355.db2.gz NRIWBZONRSKSOC-UHFFFAOYSA-N -1 0 300.311 -0.575 20 0 DBADRM CN1CC[C@H](C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)C1=O ZINC001610134765 1019627431 /nfs/dbraw/zinc/62/74/31/1019627431.db2.gz SURSIKQRMWNLMX-JTQLQIEISA-N -1 0 321.337 -0.382 20 0 DBADRM CN1CCO[C@H](C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001610137895 1019627940 /nfs/dbraw/zinc/62/79/40/1019627940.db2.gz ZJWQMMLEPXXUQW-STQMWFEESA-N -1 0 307.350 -0.228 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001610138104 1019628226 /nfs/dbraw/zinc/62/82/26/1019628226.db2.gz ABDCFTIMLDOJPT-RAXBXGLRSA-N -1 0 323.349 -0.906 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)c2ccc(C(=O)[O-])n2C)n1 ZINC001610141713 1019629615 /nfs/dbraw/zinc/62/96/15/1019629615.db2.gz FGWJVZQNNCHCHG-UHFFFAOYSA-N -1 0 322.277 -0.248 20 0 DBADRM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)NCCCCC(=O)[O-] ZINC001610141738 1019629754 /nfs/dbraw/zinc/62/97/54/1019629754.db2.gz DUSLQPDLYQJDSY-UWVGGRQHSA-N -1 0 313.354 -0.612 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001610140071 1019630029 /nfs/dbraw/zinc/63/00/29/1019630029.db2.gz JSIYNCOCUCIMFX-UHFFFAOYSA-N -1 0 309.278 -0.806 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCCCC(=O)[O-] ZINC001610141736 1019630403 /nfs/dbraw/zinc/63/04/03/1019630403.db2.gz DUSLQPDLYQJDSY-NXEZZACHSA-N -1 0 313.354 -0.612 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001610140383 1019631061 /nfs/dbraw/zinc/63/10/61/1019631061.db2.gz LHDDABDRWZIDNQ-UHFFFAOYSA-N -1 0 313.335 -0.102 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001610140148 1019631189 /nfs/dbraw/zinc/63/11/89/1019631189.db2.gz AFYBSABVUBJCKJ-UHFFFAOYSA-N -1 0 323.305 -0.464 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001610140661 1019631575 /nfs/dbraw/zinc/63/15/75/1019631575.db2.gz ZBKVBPKOFBGRNS-UHFFFAOYSA-N -1 0 309.322 -0.082 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC001610140678 1019631707 /nfs/dbraw/zinc/63/17/07/1019631707.db2.gz ZPHAOUZZWLIUDI-UHFFFAOYSA-N -1 0 320.349 -0.280 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001610147078 1019632761 /nfs/dbraw/zinc/63/27/61/1019632761.db2.gz MLEJETCMPZWBNC-SNVBAGLBSA-N -1 0 319.383 -0.904 20 0 DBADRM CNS(=O)(=O)NC1CCN(Cc2occc2C(=O)[O-])CC1 ZINC001610146435 1019633011 /nfs/dbraw/zinc/63/30/11/1019633011.db2.gz BZFNHBSXOIKREH-UHFFFAOYSA-N -1 0 317.367 -0.004 20 0 DBADRM CNS(=O)(=O)CCC(=O)OCc1ccc(C(=O)[O-])cn1 ZINC001610147365 1019633223 /nfs/dbraw/zinc/63/32/23/1019633223.db2.gz PYUBIACIELCTBG-UHFFFAOYSA-N -1 0 302.308 -0.238 20 0 DBADRM CNS(=O)(=O)CCNC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001610147321 1019633903 /nfs/dbraw/zinc/63/39/03/1019633903.db2.gz OZXSBJOXNSLGNQ-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CCC(=O)c1cnn(C)c1 ZINC001610151637 1019633951 /nfs/dbraw/zinc/63/39/51/1019633951.db2.gz DGJLEQAYNDODSF-SECBINFHSA-N -1 0 311.294 -0.485 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1Cc1oncc1C(=O)[O-] ZINC001610147987 1019634136 /nfs/dbraw/zinc/63/41/36/1019634136.db2.gz ZSBKNRWAHLUOIQ-MRVPVSSYSA-N -1 0 303.340 -0.114 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC001610146060 1019634204 /nfs/dbraw/zinc/63/42/04/1019634204.db2.gz IJDMKFIRLBWYSP-MRVPVSSYSA-N -1 0 313.335 -0.457 20 0 DBADRM COC(=O)[C@]1(NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])CCOC1 ZINC001610155861 1019635752 /nfs/dbraw/zinc/63/57/52/1019635752.db2.gz BXOQAFOEXGRGRG-HZMBPMFUSA-N -1 0 316.354 -0.476 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC001610152709 1019635773 /nfs/dbraw/zinc/63/57/73/1019635773.db2.gz KBHDPYIXHILCGV-KXUCPTDWSA-N -1 0 323.367 -0.311 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)Cc1ccccc1 ZINC001610151978 1019636175 /nfs/dbraw/zinc/63/61/75/1019636175.db2.gz GPQMDDWDQMWLQE-LLVKDONJSA-N -1 0 322.317 -0.522 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cnc2nccnc2c1 ZINC001610152444 1019636680 /nfs/dbraw/zinc/63/66/80/1019636680.db2.gz JEZDXGOSJWDOCQ-VIFPVBQESA-N -1 0 304.262 -0.229 20 0 DBADRM COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001610156814 1019637079 /nfs/dbraw/zinc/63/70/79/1019637079.db2.gz UUCGSIJZCONHBM-MRVPVSSYSA-N -1 0 321.307 -0.431 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)NCC(F)F)[C@@H](C(=O)[O-])C1 ZINC001610166539 1019638875 /nfs/dbraw/zinc/63/88/75/1019638875.db2.gz ILXQGHDHJQJPIQ-NKWVEPMBSA-N -1 0 322.264 -0.768 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cnc(OC)nc1 ZINC001610170929 1019639306 /nfs/dbraw/zinc/63/93/06/1019639306.db2.gz HXXVVXYWLFTTCK-WCBMZHEXSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)[O-] ZINC001610177321 1019641078 /nfs/dbraw/zinc/64/10/78/1019641078.db2.gz DWMSCGLAPYIFOY-SSDOTTSWSA-N -1 0 305.312 -0.977 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CC1OCCO1 ZINC001610177506 1019641234 /nfs/dbraw/zinc/64/12/34/1019641234.db2.gz VNUXDPSPXHXTBI-RKDXNWHRSA-N -1 0 301.295 -0.386 20 0 DBADRM COC(=O)[C@@H]1COCCN1CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001610176328 1019641670 /nfs/dbraw/zinc/64/16/70/1019641670.db2.gz BYFDAGBOZBEUCW-ONGXEEELSA-N -1 0 302.327 -0.914 20 0 DBADRM COC(=O)C[C@H]1COCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001610179335 1019642117 /nfs/dbraw/zinc/64/21/17/1019642117.db2.gz AMKNSUKKZVWQKY-QMMMGPOBSA-N -1 0 309.278 -0.421 20 0 DBADRM COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC001610179963 1019642183 /nfs/dbraw/zinc/64/21/83/1019642183.db2.gz UDOGNSANWGHXCE-UWVGGRQHSA-N -1 0 322.383 -0.927 20 0 DBADRM COC(=O)C[C@H](NC(=O)CCc1ccccc1C(N)=O)C(=O)[O-] ZINC001610178373 1019642736 /nfs/dbraw/zinc/64/27/36/1019642736.db2.gz BKLNIVHQSVHNKM-NSHDSACASA-N -1 0 322.317 -0.149 20 0 DBADRM COC(=O)[C@@H]1CSCCN(CC(=O)NCCC(=O)[O-])C1 ZINC001610176278 1019642966 /nfs/dbraw/zinc/64/29/66/1019642966.db2.gz BIMZRRHJKJNARE-VIFPVBQESA-N -1 0 304.368 -0.585 20 0 DBADRM COC(=O)COC(=O)c1cccc(C(=O)OCC(=O)[O-])c1N ZINC001610184794 1019644092 /nfs/dbraw/zinc/64/40/92/1019644092.db2.gz DIBMTUHENNTWOP-UHFFFAOYSA-N -1 0 311.246 -0.160 20 0 DBADRM COC(=O)CN(C)CCNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001610182005 1019644129 /nfs/dbraw/zinc/64/41/29/1019644129.db2.gz BPLISVXNTHUPOL-UHFFFAOYSA-N -1 0 320.323 -0.639 20 0 DBADRM COC(=O)CCCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001610184008 1019644581 /nfs/dbraw/zinc/64/45/81/1019644581.db2.gz HJWFIHHXOIGFGB-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)Cn1cc(C2CC2)nn1)C(=O)[O-] ZINC001610183146 1019645166 /nfs/dbraw/zinc/64/51/66/1019645166.db2.gz QQNUEOGAHPWMJT-SECBINFHSA-N -1 0 310.310 -0.322 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1Cc1c[nH]c(C(=O)[O-])c1 ZINC001610185449 1019645621 /nfs/dbraw/zinc/64/56/21/1019645621.db2.gz UFLOUVMTYXGHGH-NSHDSACASA-N -1 0 309.322 -0.034 20 0 DBADRM COC(=O)CCc1nc(Cn2ncc(C(=O)[O-])cc2=O)no1 ZINC001610182064 1019645903 /nfs/dbraw/zinc/64/59/03/1019645903.db2.gz GWALBZOFBPFTPM-UHFFFAOYSA-N -1 0 308.250 -0.522 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CCc2nncn2C1)C(=O)[O-] ZINC001610183099 1019645986 /nfs/dbraw/zinc/64/59/86/1019645986.db2.gz ONAIVDBCKYIUBW-DTWKUNHWSA-N -1 0 310.310 -0.637 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001610192703 1019647181 /nfs/dbraw/zinc/64/71/81/1019647181.db2.gz ONEDLQXMMNYFOA-VIFPVBQESA-N -1 0 317.319 -0.495 20 0 DBADRM COC(=O)NC(C)(C)C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001610187830 1019647756 /nfs/dbraw/zinc/64/77/56/1019647756.db2.gz NVHQQUHZQQEUSJ-VIFPVBQESA-N -1 0 318.326 -0.110 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CN1CSCC1=O ZINC001610193721 1019647768 /nfs/dbraw/zinc/64/77/68/1019647768.db2.gz NJBNFEDKKYMXHF-SSDOTTSWSA-N -1 0 304.324 -0.958 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001610190275 1019647851 /nfs/dbraw/zinc/64/78/51/1019647851.db2.gz LCEHIZUFKDGJBW-CIUDSAMLSA-N -1 0 316.310 -0.404 20 0 DBADRM COC(=O)N1CC(NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001610187557 1019648391 /nfs/dbraw/zinc/64/83/91/1019648391.db2.gz NJRHRCVZKJDQCS-NXEZZACHSA-N -1 0 320.367 0.000 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)on1 ZINC001610196137 1019649942 /nfs/dbraw/zinc/64/99/42/1019649942.db2.gz PCSRJJGSRVKJQL-VIFPVBQESA-N -1 0 308.250 -0.250 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN1CC[C@@H](n2cncn2)C1 ZINC001610197850 1019650100 /nfs/dbraw/zinc/65/01/00/1019650100.db2.gz VCGCQGUUJRJJJV-SECBINFHSA-N -1 0 320.309 -0.136 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(C[C@@H]2CCS(=O)(=O)C2)n1 ZINC001610196016 1019650307 /nfs/dbraw/zinc/65/03/07/1019650307.db2.gz VLUYCFJUYHMGKB-ZETCQYMHSA-N -1 0 302.308 -0.197 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)N[C@@H](CF)C(=O)[O-] ZINC001610220820 1019650946 /nfs/dbraw/zinc/65/09/46/1019650946.db2.gz PZEIQAALPQABSK-BYPYZUCNSA-N -1 0 312.300 -0.369 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCC(O)(C(=O)[O-])CC2)cn1 ZINC001610208097 1019651190 /nfs/dbraw/zinc/65/11/90/1019651190.db2.gz PKOMXPVYSVGZAQ-UHFFFAOYSA-N -1 0 308.290 -0.080 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001610223355 1019651234 /nfs/dbraw/zinc/65/12/34/1019651234.db2.gz YSWPIAWJISPUNB-UHFFFAOYSA-N -1 0 308.400 -0.167 20 0 DBADRM COC(CN(CCC(=O)[O-])S(=O)(=O)N(C)C(C)C)OC ZINC001610223821 1019651805 /nfs/dbraw/zinc/65/18/05/1019651805.db2.gz DCFKKNGYJDKMOV-UHFFFAOYSA-N -1 0 312.388 -0.033 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)c2ccn(C)n2)[C@@H](C(=O)[O-])C1 ZINC001610240527 1019652438 /nfs/dbraw/zinc/65/24/38/1019652438.db2.gz SPZVCSJPLBHDAR-RKDXNWHRSA-N -1 0 303.340 -0.327 20 0 DBADRM COCC(=O)N(C)CC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001610240696 1019652583 /nfs/dbraw/zinc/65/25/83/1019652583.db2.gz IZUVLDDUYUSGEF-VIFPVBQESA-N -1 0 304.368 -0.633 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)c2ccnn2C)[C@H](C(=O)[O-])C1 ZINC001610239051 1019653567 /nfs/dbraw/zinc/65/35/67/1019653567.db2.gz DAPDWESHNFEZIN-BDAKNGLRSA-N -1 0 303.340 -0.327 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])C1CC1 ZINC001610230140 1019653809 /nfs/dbraw/zinc/65/38/09/1019653809.db2.gz VEQLHZINMZVZHB-VHSXEESVSA-N -1 0 320.367 -0.984 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)C[C@H]1CCCC(=O)N1)OC ZINC001610229319 1019653813 /nfs/dbraw/zinc/65/38/13/1019653813.db2.gz ITRNEHRWMIXOTK-SNVBAGLBSA-N -1 0 316.354 -0.033 20 0 DBADRM COC[C@@](C)(NCc1nnc(S(C)(=O)=O)s1)C(=O)[O-] ZINC001610243973 1019655210 /nfs/dbraw/zinc/65/52/10/1019655210.db2.gz LMEAVEJNPPAFMS-SECBINFHSA-N -1 0 309.369 -0.479 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)c2c(C)cnn2C)[C@@H](C(=O)[O-])C1 ZINC001610240825 1019655226 /nfs/dbraw/zinc/65/52/26/1019655226.db2.gz YZQOPNVJWQYONJ-NXEZZACHSA-N -1 0 317.367 -0.019 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001610244215 1019656521 /nfs/dbraw/zinc/65/65/21/1019656521.db2.gz ZPVOSPUTDHTPDQ-LLVKDONJSA-N -1 0 304.324 -0.545 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001610246312 1019656790 /nfs/dbraw/zinc/65/67/90/1019656790.db2.gz ZBLWAMHAFYOHEC-SECBINFHSA-N -1 0 303.336 -0.021 20 0 DBADRM COC[C@H](NC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C)C(=O)[O-] ZINC001610245820 1019656844 /nfs/dbraw/zinc/65/68/44/1019656844.db2.gz IATSVPAAMRUFSF-IUCAKERBSA-N -1 0 309.326 -0.221 20 0 DBADRM COC[C@H](CNS(=O)(=O)c1cncc(C(=O)[O-])c1)OC ZINC001610245272 1019657154 /nfs/dbraw/zinc/65/71/54/1019657154.db2.gz OPVLRNHULWBDDV-VIFPVBQESA-N -1 0 304.324 -0.281 20 0 DBADRM COC[C@@H](NC(=O)c1cnc2ccc(C)cn2c1=O)C(=O)[O-] ZINC001610248509 1019658496 /nfs/dbraw/zinc/65/84/96/1019658496.db2.gz GEAHRVIGYRYGME-SNVBAGLBSA-N -1 0 305.290 -0.168 20 0 DBADRM COC[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)[O-] ZINC001610248939 1019659146 /nfs/dbraw/zinc/65/91/46/1019659146.db2.gz MSUIOUHSIUKYIW-SNVBAGLBSA-N -1 0 316.335 -0.113 20 0 DBADRM COCC1(C(=O)O[C@H](CC(=O)OC)C(=O)[O-])CCOCC1 ZINC001610248596 1019659487 /nfs/dbraw/zinc/65/94/87/1019659487.db2.gz SNZRWHZPNGSJRB-SECBINFHSA-N -1 0 304.295 -0.011 20 0 DBADRM COCCCOCC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001610257390 1019661043 /nfs/dbraw/zinc/66/10/43/1019661043.db2.gz RHECHRGYFBTYKV-MNOVXSKESA-N -1 0 317.338 -0.096 20 0 DBADRM COCC[C@@H](NC(=O)CCSc1nnnn1C)C(=O)[O-] ZINC001610255151 1019661398 /nfs/dbraw/zinc/66/13/98/1019661398.db2.gz WKGYYDCJNVCYIT-SSDOTTSWSA-N -1 0 303.344 -0.702 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@H](C)N1CCN(C)CC1 ZINC001610260249 1019661739 /nfs/dbraw/zinc/66/17/39/1019661739.db2.gz QGVZACJFQUCBKW-LBPRGKRZSA-N -1 0 301.387 -0.428 20 0 DBADRM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001610257888 1019662295 /nfs/dbraw/zinc/66/22/95/1019662295.db2.gz JABKSHIJXDHLLX-ZETCQYMHSA-N -1 0 320.323 -0.511 20 0 DBADRM COCCN1C[C@H](C(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)CC1=O ZINC001610260675 1019662736 /nfs/dbraw/zinc/66/27/36/1019662736.db2.gz HLLJHALEUHBRTQ-SECBINFHSA-N -1 0 323.305 -0.081 20 0 DBADRM COC[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)[O-] ZINC001610251866 1019662742 /nfs/dbraw/zinc/66/27/42/1019662742.db2.gz WTXVSLKJCZZZET-LLVKDONJSA-N -1 0 305.290 -0.388 20 0 DBADRM COCCCNC(=O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001610257292 1019662751 /nfs/dbraw/zinc/66/27/51/1019662751.db2.gz LCYPVGSIOKLKNY-VIFPVBQESA-N -1 0 304.368 -0.585 20 0 DBADRM COCCCS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001610257129 1019662789 /nfs/dbraw/zinc/66/27/89/1019662789.db2.gz WRSPTUBLLWUCSG-UWVGGRQHSA-N -1 0 323.367 -0.309 20 0 DBADRM CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001610381324 1019676867 /nfs/dbraw/zinc/67/68/67/1019676867.db2.gz UANMULHGIONUGV-VDTYLAMSSA-N -1 0 323.396 -0.193 20 0 DBADRM COCCn1cc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])ccc1=O ZINC001610266128 1019664839 /nfs/dbraw/zinc/66/48/39/1019664839.db2.gz YKWIFOJZOZZSJS-AAEUAGOBSA-N -1 0 324.333 -0.455 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001610261276 1019664967 /nfs/dbraw/zinc/66/49/67/1019664967.db2.gz UXJJKIPINRHBFK-AWEZNQCLSA-N -1 0 316.354 -0.521 20 0 DBADRM CCCc1cc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])n(C)n1 ZINC001610261971 1019665055 /nfs/dbraw/zinc/66/50/55/1019665055.db2.gz RMGJLWMSCMUFLT-ZDUSSCGKSA-N -1 0 312.326 -0.737 20 0 DBADRM COCCn1cc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cn1 ZINC001610266441 1019665110 /nfs/dbraw/zinc/66/51/10/1019665110.db2.gz FCUQDAYEGHFCAW-UHFFFAOYSA-N -1 0 308.298 -0.864 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cn1 ZINC001610267704 1019665374 /nfs/dbraw/zinc/66/53/74/1019665374.db2.gz QXVULENOYALUCK-KOLCDFICSA-N -1 0 324.337 -0.210 20 0 DBADRM COCCn1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cn1 ZINC001610266868 1019665674 /nfs/dbraw/zinc/66/56/74/1019665674.db2.gz ILGANYQGNQCKPJ-MWLCHTKSSA-N -1 0 317.367 -0.129 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001610275162 1019667410 /nfs/dbraw/zinc/66/74/10/1019667410.db2.gz MGINZQVOSKZRQR-KXUCPTDWSA-N -1 0 304.368 -0.141 20 0 DBADRM COCc1nn(CN2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c(=O)o1 ZINC001610275282 1019667915 /nfs/dbraw/zinc/66/79/15/1019667915.db2.gz PGUTWVKOZZCGHJ-TVQRCGJNSA-N -1 0 313.310 -0.637 20 0 DBADRM COCc1nocc1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001610274963 1019667974 /nfs/dbraw/zinc/66/79/74/1019667974.db2.gz QAPDHKMIQBBAIL-JTQLQIEISA-N -1 0 311.294 -0.374 20 0 DBADRM COc1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])nn1C ZINC001610300598 1019668121 /nfs/dbraw/zinc/66/81/21/1019668121.db2.gz WDZLFKTVQOJNES-YUMQZZPRSA-N -1 0 310.310 -0.263 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)ncn1 ZINC001610297151 1019668477 /nfs/dbraw/zinc/66/84/77/1019668477.db2.gz CCNFZPQYPQFKPO-ZDUSSCGKSA-N -1 0 308.294 -0.253 20 0 DBADRM COc1cc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)ccc1C(=O)[O-] ZINC001610299837 1019668561 /nfs/dbraw/zinc/66/85/61/1019668561.db2.gz LZEPUANXRGPPQJ-MRVPVSSYSA-N -1 0 321.289 -0.663 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001610276042 1019668784 /nfs/dbraw/zinc/66/87/84/1019668784.db2.gz QHICVQUSURVVLE-UHFFFAOYSA-N -1 0 316.335 -0.009 20 0 DBADRM COc1ccccc1CCNC(=O)CN1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC001610365097 1019670015 /nfs/dbraw/zinc/67/00/15/1019670015.db2.gz FYJRNCQJHPKPCK-QWHCGFSZSA-N -1 0 322.361 -0.126 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cn1 ZINC001610339889 1019670355 /nfs/dbraw/zinc/67/03/55/1019670355.db2.gz CQRBHJWFKOPWBN-ONGXEEELSA-N -1 0 323.305 -0.535 20 0 DBADRM CCOC(=O)C1=C(COC(=O)[C@@H](C)C(=O)[O-])NC(=O)N[C@H]1C ZINC001610314126 1019670622 /nfs/dbraw/zinc/67/06/22/1019670622.db2.gz ATGLFRPBMFIWSE-BQBZGAKWSA-N -1 0 314.294 -0.231 20 0 DBADRM COc1ccc(-n2nnc(C(=O)N[C@@H](CO)C(=O)[O-])c2C)cc1 ZINC001610311996 1019671572 /nfs/dbraw/zinc/67/15/72/1019671572.db2.gz CRQNQELVSMERTE-NSHDSACASA-N -1 0 320.305 -0.240 20 0 DBADRM COc1nnc(NC(=O)NCCn2cc(C(=O)[O-])nn2)s1 ZINC001610372021 1019672911 /nfs/dbraw/zinc/67/29/11/1019672911.db2.gz DWCJKRGIEGOBQI-UHFFFAOYSA-N -1 0 313.299 -0.342 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CCCC1 ZINC001610373241 1019673048 /nfs/dbraw/zinc/67/30/48/1019673048.db2.gz SFNLCLSCRNNXML-NXEZZACHSA-N -1 0 319.379 -0.362 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)NCCSCC(=O)[O-] ZINC001610372692 1019673355 /nfs/dbraw/zinc/67/33/55/1019673355.db2.gz NGJPUDSPHLXGTH-UHFFFAOYSA-N -1 0 316.339 -0.699 20 0 DBADRM COc1cccn2c(=O)n(CN3CCO[C@H](CC(=O)[O-])C3)nc12 ZINC001610369986 1019673683 /nfs/dbraw/zinc/67/36/83/1019673683.db2.gz VHWYNPNFTVOWSS-SNVBAGLBSA-N -1 0 322.321 -0.362 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)c2cc(C(=O)[O-])no2)C1 ZINC001610375524 1019673864 /nfs/dbraw/zinc/67/38/64/1019673864.db2.gz OZQVVTAITNWCBE-UHFFFAOYSA-N -1 0 303.296 -0.817 20 0 DBADRM CS(=O)(=O)CCN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610373162 1019674445 /nfs/dbraw/zinc/67/44/45/1019674445.db2.gz OYTNFJJBBYEOQE-SECBINFHSA-N -1 0 302.356 -0.342 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001610375507 1019674542 /nfs/dbraw/zinc/67/45/42/1019674542.db2.gz OULXGPXSQUMNSB-YFKPBYRVSA-N -1 0 306.262 -0.553 20 0 DBADRM CS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001610372614 1019674571 /nfs/dbraw/zinc/67/45/71/1019674571.db2.gz IIQDOLMBHZNBAZ-UHFFFAOYSA-N -1 0 320.348 -0.454 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001610376086 1019674941 /nfs/dbraw/zinc/67/49/41/1019674941.db2.gz UVXBCVKWMRUCKB-UHFFFAOYSA-N -1 0 313.335 -0.410 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1 ZINC001610373140 1019675006 /nfs/dbraw/zinc/67/50/06/1019675006.db2.gz YPMJGOCNLPMOJL-MYJAWHEDSA-N -1 0 316.379 -0.217 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]2CCO)C[C@H]1C(=O)[O-] ZINC001610392892 1019676380 /nfs/dbraw/zinc/67/63/80/1019676380.db2.gz OSUOQJHTBSEUDB-WRWGMCAJSA-N -1 0 312.366 -0.167 20 0 DBADRM CS(=O)(=O)c1ccc(=O)n(C[C@@H]2CC(C(=O)[O-])=NO2)c1 ZINC001610378085 1019677123 /nfs/dbraw/zinc/67/71/23/1019677123.db2.gz UZPZKSGNFHPLLI-ZETCQYMHSA-N -1 0 300.292 -0.519 20 0 DBADRM C[S@@](=O)CCN1CCN(Cc2oncc2C(=O)[O-])CC1 ZINC001610378521 1019677160 /nfs/dbraw/zinc/67/71/60/1019677160.db2.gz BPWFQRYZYSAGSY-HXUWFJFHSA-N -1 0 301.368 -0.131 20 0 DBADRM CS[C@@H](C)CNC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001610380557 1019677208 /nfs/dbraw/zinc/67/72/08/1019677208.db2.gz OSXLJFZRZUUTEH-WCBMZHEXSA-N -1 0 318.395 -0.462 20 0 DBADRM C[C@H](C(=O)[O-])N(C)CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC001610393352 1019677262 /nfs/dbraw/zinc/67/72/62/1019677262.db2.gz YBABXANEISNIJD-SNVBAGLBSA-N -1 0 323.349 -0.428 20 0 DBADRM CS[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001610382955 1019677443 /nfs/dbraw/zinc/67/74/43/1019677443.db2.gz ZMCJXYPWZBULSM-LPEHRKFASA-N -1 0 316.379 -0.756 20 0 DBADRM CS(=O)(=O)c1ccccc1CC(=O)N[C@@H](CO)C(=O)[O-] ZINC001610377734 1019677518 /nfs/dbraw/zinc/67/75/18/1019677518.db2.gz QOEYBBYXVXTZHO-VIFPVBQESA-N -1 0 301.320 -0.806 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001610394236 1019677572 /nfs/dbraw/zinc/67/75/72/1019677572.db2.gz ZUPFYVCSYOCANC-AVPPRXQKSA-N -1 0 307.306 -0.111 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCc2ccn(C)n2)C[C@H]1C(=O)[O-] ZINC001610392608 1019677687 /nfs/dbraw/zinc/67/76/87/1019677687.db2.gz IUWSIENVHLZFLY-MWLCHTKSSA-N -1 0 308.338 -0.742 20 0 DBADRM CCS(=O)(=O)N1CCC(CNC(=O)[C@H](C)C(=O)[O-])CC1 ZINC001610383267 1019677838 /nfs/dbraw/zinc/67/78/38/1019677838.db2.gz RRWNKQGBSYIQGA-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM Cc1c(NC(=O)C(=O)NCc2ccn(C)c2)cnn1CC(=O)[O-] ZINC001610419810 1019679420 /nfs/dbraw/zinc/67/94/20/1019679420.db2.gz STTURBPODMKJAU-UHFFFAOYSA-N -1 0 319.321 -0.130 20 0 DBADRM Cc1[nH]c(C(=O)N2CCC(O)(C(N)=O)CC2)c(C)c1C(=O)[O-] ZINC001610399523 1019680067 /nfs/dbraw/zinc/68/00/67/1019680067.db2.gz QAWWLWMGCQTTMN-UHFFFAOYSA-N -1 0 309.322 -0.218 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@](C)(O)CO)cccc1C(=O)[O-] ZINC001610422376 1019680169 /nfs/dbraw/zinc/68/01/69/1019680169.db2.gz WXVYGMIDSQIIRP-AWEZNQCLSA-N -1 0 310.306 -0.509 20 0 DBADRM Cc1c(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)nnn1-c1ccn(C)n1 ZINC001610405845 1019680198 /nfs/dbraw/zinc/68/01/98/1019680198.db2.gz JNYMAIFQDXGGBS-ZDUSSCGKSA-N -1 0 322.300 -0.052 20 0 DBADRM C[C@H](O)CNC(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001610395704 1019680541 /nfs/dbraw/zinc/68/05/41/1019680541.db2.gz IDQOBYWKTICZOM-LURJTMIESA-N -1 0 315.351 -0.059 20 0 DBADRM Cc1[nH]c(C(=O)NCCNS(C)(=O)=O)c(C)c1C(=O)[O-] ZINC001610400310 1019680574 /nfs/dbraw/zinc/68/05/74/1019680574.db2.gz XETDSLJWTXSEBU-UHFFFAOYSA-N -1 0 303.340 -0.391 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)on1 ZINC001610461131 1019682092 /nfs/dbraw/zinc/68/20/92/1019682092.db2.gz FDYKIEBZQHLUNT-UHFFFAOYSA-N -1 0 304.324 -0.276 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c(=O)[nH]1 ZINC001610503740 1019684801 /nfs/dbraw/zinc/68/48/01/1019684801.db2.gz CZBJXIAQBHGFQE-RKDXNWHRSA-N -1 0 323.305 -0.672 20 0 DBADRM Cc1nc(SCC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)n[nH]1 ZINC001610549280 1019685130 /nfs/dbraw/zinc/68/51/30/1019685130.db2.gz BXHCSJWHAPJFRI-UHFFFAOYSA-N -1 0 323.338 -0.422 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC001610501131 1019685439 /nfs/dbraw/zinc/68/54/39/1019685439.db2.gz YBVMAHYXZHYSPQ-NSHDSACASA-N -1 0 307.306 -0.682 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)c(C(=O)[O-])c1 ZINC001610504528 1019686693 /nfs/dbraw/zinc/68/66/93/1019686693.db2.gz QULDXEJZSWHOOA-PHIMTYICSA-N -1 0 308.290 -0.804 20 0 DBADRM Cc1cccc([C@H](CC(=O)N[C@@H](CO)C(=O)[O-])NC(N)=O)c1 ZINC001610519810 1019686923 /nfs/dbraw/zinc/68/69/23/1019686923.db2.gz NCQSAYMRSLVLEE-QWRGUYRKSA-N -1 0 309.322 -0.344 20 0 DBADRM Cc1ccnc2nc(C(=O)N3CCC[C@@H](O)[C@@H]3C(=O)[O-])nn21 ZINC001610536355 1019687086 /nfs/dbraw/zinc/68/70/86/1019687086.db2.gz RXPQWGNQXXHIKC-RKDXNWHRSA-N -1 0 305.294 -0.517 20 0 DBADRM Cc1n[nH]c(=O)c(CNS(=O)(=O)C[C@H](C)C(=O)[O-])c1C ZINC001610573394 1019692386 /nfs/dbraw/zinc/69/23/86/1019692386.db2.gz RVJDRZPKZGATHW-LURJTMIESA-N -1 0 303.340 -0.061 20 0 DBADRM Cc1cccc2c(=O)n(CC(=O)NC[C@H](O)C(=O)[O-])cnc12 ZINC001610526420 1019687193 /nfs/dbraw/zinc/68/71/93/1019687193.db2.gz XBEQZESAVUAVMV-JTQLQIEISA-N -1 0 305.290 -0.733 20 0 DBADRM Cc1nc(Cn2nnc(C(=O)N[C@@H](C(=O)[O-])C3CC3)c2C)no1 ZINC001610556963 1019688108 /nfs/dbraw/zinc/68/81/08/1019688108.db2.gz KNOIKMMTASTOGX-LLVKDONJSA-N -1 0 320.309 -0.081 20 0 DBADRM Cc1ncc(S(=O)(=O)NCCC(=O)N(C)C)cc1C(=O)[O-] ZINC001610565226 1019690218 /nfs/dbraw/zinc/69/02/18/1019690218.db2.gz OSYWXHSSOFYULO-UHFFFAOYSA-N -1 0 315.351 -0.155 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)cc1C(=O)[O-] ZINC001610583742 1019691722 /nfs/dbraw/zinc/69/17/22/1019691722.db2.gz UARDRLOWTDIBAB-PSLIRLAXSA-N -1 0 322.317 -0.257 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-])CC2 ZINC001610574091 1019691977 /nfs/dbraw/zinc/69/19/77/1019691977.db2.gz MOABLMRJWRVWJJ-JFGNBEQYSA-N -1 0 308.338 -0.415 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCNC1=O ZINC001610580362 1019692031 /nfs/dbraw/zinc/69/20/31/1019692031.db2.gz JNVFSHSJIOBGAD-ZETCQYMHSA-N -1 0 302.308 -0.205 20 0 DBADRM Cc1nnnn1/C(=C/c1ccccc1)C(=O)N[C@H](CO)C(=O)[O-] ZINC001610574601 1019692394 /nfs/dbraw/zinc/69/23/94/1019692394.db2.gz VZRSMBNEWHXFHO-LAPSENCUSA-N -1 0 317.305 -0.459 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001610569188 1019692514 /nfs/dbraw/zinc/69/25/14/1019692514.db2.gz PVBURLCNQAEWIE-ZJUUUORDSA-N -1 0 309.322 -0.486 20 0 DBADRM Cc1noc(CNC(=O)C(=O)NCc2cc(C(=O)[O-])c(C)o2)n1 ZINC001610576345 1019692911 /nfs/dbraw/zinc/69/29/11/1019692911.db2.gz ROTQQSVGKDFRGA-UHFFFAOYSA-N -1 0 322.277 -0.090 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)c1=O ZINC001610594358 1019694353 /nfs/dbraw/zinc/69/43/53/1019694353.db2.gz LNCMYJWGOCRDGB-UHFFFAOYSA-N -1 0 322.277 -0.163 20 0 DBADRM Cn1c(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c2n(c1=O)CCCC2 ZINC001610594122 1019694931 /nfs/dbraw/zinc/69/49/31/1019694931.db2.gz ATHPJXJSIVNUIP-VHSXEESVSA-N -1 0 323.349 -0.569 20 0 DBADRM Cn1cc(C(=O)Nc2ccc(C(=O)[O-])nc2)c(=O)n(C)c1=O ZINC001610600739 1019695947 /nfs/dbraw/zinc/69/59/47/1019695947.db2.gz LBPZWAVYHSJAGC-UHFFFAOYSA-N -1 0 304.262 -0.571 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCCCOCCO)cc1C(=O)[O-] ZINC001610605386 1019697119 /nfs/dbraw/zinc/69/71/19/1019697119.db2.gz UVLTVKQRMSPJFD-UHFFFAOYSA-N -1 0 313.310 -0.823 20 0 DBADRM Cn1ccc(=O)n(CCCNC(=O)c2ccc(C(=O)[O-])o2)c1=O ZINC001610607275 1019697660 /nfs/dbraw/zinc/69/76/60/1019697660.db2.gz RGVWSDFQWXOOLJ-UHFFFAOYSA-N -1 0 321.289 -0.342 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CC[C@H](CC(N)=O)C2)cc1C(=O)[O-] ZINC001610604896 1019697747 /nfs/dbraw/zinc/69/77/47/1019697747.db2.gz QRTBMRFQXPOHTF-MRVPVSSYSA-N -1 0 322.321 -0.614 20 0 DBADRM Cn1cnc(CCCNC(=O)N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC001610611316 1019699627 /nfs/dbraw/zinc/69/96/27/1019699627.db2.gz MVROAMXTSXENIJ-SNVBAGLBSA-N -1 0 311.342 -0.367 20 0 DBADRM Cn1ncc(CNC(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])n1 ZINC001610613504 1019699814 /nfs/dbraw/zinc/69/98/14/1019699814.db2.gz BIZDQBNDFRIBBH-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@H](O)C(F)(F)F ZINC001610614088 1019699952 /nfs/dbraw/zinc/69/99/52/1019699952.db2.gz MRBWDGLXVQUKFM-YFKPBYRVSA-N -1 0 324.215 -0.904 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCCOC2)c1 ZINC001610611575 1019701157 /nfs/dbraw/zinc/70/11/57/1019701157.db2.gz YXDWTDDFYBUHDX-NSHDSACASA-N -1 0 303.340 -0.278 20 0 DBADRM Cn1cnnc1CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001610611826 1019701691 /nfs/dbraw/zinc/70/16/91/1019701691.db2.gz BBBLAWOMHMHHHM-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)n1 ZINC001610611571 1019701705 /nfs/dbraw/zinc/70/17/05/1019701705.db2.gz YNWIFXQBDCXFKY-VIFPVBQESA-N -1 0 321.337 -0.855 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCc1cscn1 ZINC001610614151 1019701721 /nfs/dbraw/zinc/70/17/21/1019701721.db2.gz NUJPAZZPHCCSKD-UHFFFAOYSA-N -1 0 323.334 -0.128 20 0 DBADRM Cn1ncc2c1nc(CN1CCC[C@@H](O)[C@H]1C(=O)[O-])[nH]c2=O ZINC001610615107 1019701753 /nfs/dbraw/zinc/70/17/53/1019701753.db2.gz BMHPAJFGRFCGIJ-SCZZXKLOSA-N -1 0 307.310 -0.521 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)OCC1(CC(=O)[O-])CC1)c2=O ZINC001610615139 1019704063 /nfs/dbraw/zinc/70/40/63/1019704063.db2.gz MQGYSDKQVFBEDS-UHFFFAOYSA-N -1 0 320.305 -0.072 20 0 DBADRM Cn1nnc(CNC(=O)NCCOc2ccc(C(=O)[O-])cc2)n1 ZINC001610617192 1019704530 /nfs/dbraw/zinc/70/45/30/1019704530.db2.gz PXUNABIZQMDPSQ-UHFFFAOYSA-N -1 0 320.309 -0.214 20 0 DBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001610636049 1019705680 /nfs/dbraw/zinc/70/56/80/1019705680.db2.gz TVLFQQLWZREOMC-SNVBAGLBSA-N -1 0 323.305 -0.264 20 0 DBADRM NC(=O)CCCCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001610636832 1019706572 /nfs/dbraw/zinc/70/65/72/1019706572.db2.gz JRBHTZJEAILEFY-UHFFFAOYSA-N -1 0 301.324 -0.286 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2csnc2C(=O)[O-])CCC1 ZINC001610635332 1019706624 /nfs/dbraw/zinc/70/66/24/1019706624.db2.gz RFUWEDLFODZMKV-UHFFFAOYSA-N -1 0 305.337 -0.472 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001610639856 1019708605 /nfs/dbraw/zinc/70/86/05/1019708605.db2.gz GUYUVYGEWFILBB-ZJUUUORDSA-N -1 0 321.333 -0.509 20 0 DBADRM NC(=O)N[C@@H]1CCN(S(=O)(=O)CCCCCC(=O)[O-])C1 ZINC001610638492 1019708890 /nfs/dbraw/zinc/70/88/90/1019708890.db2.gz QNXXZCYDUCSTTB-SECBINFHSA-N -1 0 307.372 -0.296 20 0 DBADRM NC(=O)N[C@@H](CO)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001610638259 1019709181 /nfs/dbraw/zinc/70/91/81/1019709181.db2.gz KPBZNZOSTWJUMY-ZJUUUORDSA-N -1 0 313.285 -0.861 20 0 DBADRM NC(=O)N1CCCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CC1 ZINC001610638882 1019709586 /nfs/dbraw/zinc/70/95/86/1019709586.db2.gz RPUBBXGIAWRTKC-UHFFFAOYSA-N -1 0 319.383 -0.343 20 0 DBADRM NC(=O)CCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001610637821 1019710310 /nfs/dbraw/zinc/71/03/10/1019710310.db2.gz XJWBZWJIFGAUJZ-UHFFFAOYSA-N -1 0 309.278 -0.920 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H](CC(F)F)C(=O)[O-])co1 ZINC001610645683 1019711125 /nfs/dbraw/zinc/71/11/25/1019711125.db2.gz BCHMIPGCIVCAHT-RXMQYKEDSA-N -1 0 312.250 -0.235 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)co1 ZINC001610646081 1019712114 /nfs/dbraw/zinc/71/21/14/1019712114.db2.gz ZSFMRQCLNGNALU-LLVKDONJSA-N -1 0 318.307 -0.709 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)CCCCN2CCOCC2)CC1 ZINC001610655502 1019714056 /nfs/dbraw/zinc/71/40/56/1019714056.db2.gz PFOKOLFAMHIIDL-UHFFFAOYSA-N -1 0 314.382 -0.073 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)[C@@H]3CCc4nncn4C3)C[C@H]1COCC2 ZINC001610652131 1019714332 /nfs/dbraw/zinc/71/43/32/1019714332.db2.gz UNTCBTJETXLNGV-JRPNMDOOSA-N -1 0 320.349 -0.210 20 0 DBADRM COc1cc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])ccc1F ZINC001611037617 1019755601 /nfs/dbraw/zinc/75/56/01/1019755601.db2.gz JMGOUHNSTWESGS-LLVKDONJSA-N -1 0 307.299 -0.052 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)CNC(=O)CC2CCCC2)C1 ZINC001610650690 1019715463 /nfs/dbraw/zinc/71/54/63/1019715463.db2.gz IEBPHOHANNIZFR-RYUDHWBXSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)[C@H]3CCc4nncn4C3)C[C@H]1COCC2 ZINC001610652139 1019715868 /nfs/dbraw/zinc/71/58/68/1019715868.db2.gz UNTCBTJETXLNGV-ZIBATOQPSA-N -1 0 320.349 -0.210 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)CN1CCN(C(=O)CO)CC1 ZINC001610663307 1019715951 /nfs/dbraw/zinc/71/59/51/1019715951.db2.gz OXTOQJYLGPBQJR-UHFFFAOYSA-N -1 0 321.333 -0.540 20 0 DBADRM O=C([O-])C1(NC(=O)Cc2ccoc2)CCS(=O)(=O)CC1 ZINC001610675137 1019716773 /nfs/dbraw/zinc/71/67/73/1019716773.db2.gz IJMYZKZXYSLQOM-UHFFFAOYSA-N -1 0 301.320 -0.030 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCc2cnc3n2CCCC3)nn1 ZINC001610677577 1019716824 /nfs/dbraw/zinc/71/68/24/1019716824.db2.gz WDRYKHPHZUSCGZ-UHFFFAOYSA-N -1 0 304.310 -0.175 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1)C1CC1 ZINC001610679179 1019717154 /nfs/dbraw/zinc/71/71/54/1019717154.db2.gz XSUSGOFCMAXJHS-SRVKXCTJSA-N -1 0 319.317 -0.063 20 0 DBADRM O=C([O-])C1(NC(=O)c2cnsn2)CCS(=O)(=O)CC1 ZINC001610683349 1019717170 /nfs/dbraw/zinc/71/71/70/1019717170.db2.gz LDXMRUHWWNDJCH-UHFFFAOYSA-N -1 0 305.337 -0.700 20 0 DBADRM O=C([O-])c1cccc(NC(=O)COC(=O)C2(CO)COC2)c1 ZINC001610667150 1019717275 /nfs/dbraw/zinc/71/72/75/1019717275.db2.gz AEEKQBODQJMDQR-UHFFFAOYSA-N -1 0 309.274 -0.125 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)COCCNC(=O)c1ccccc1 ZINC001610669691 1019717599 /nfs/dbraw/zinc/71/75/99/1019717599.db2.gz XECLTIPLDOODDA-LLVKDONJSA-N -1 0 312.297 -0.028 20 0 DBADRM O=C([O-])c1cn(CC(=O)O[C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)nn1 ZINC001610677742 1019717632 /nfs/dbraw/zinc/71/76/32/1019717632.db2.gz IIGKOLOVNVGRDY-WCABBAIRSA-N -1 0 322.321 -0.033 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@H](CO)c2ccc(F)cc2)nn1 ZINC001610677031 1019718097 /nfs/dbraw/zinc/71/80/97/1019718097.db2.gz BTIUOAZXRZVTBX-LLVKDONJSA-N -1 0 308.269 -0.035 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(F)cc1 ZINC001610673107 1019718404 /nfs/dbraw/zinc/71/84/04/1019718404.db2.gz UBDAJDPITUJRLX-ZJUUUORDSA-N -1 0 323.280 -0.292 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCOc2cccnc2)nn1 ZINC001610694794 1019719386 /nfs/dbraw/zinc/71/93/86/1019719386.db2.gz DMEWSGFSWDQBPW-UHFFFAOYSA-N -1 0 320.309 -0.251 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(C(=O)C(=O)NC[C@@H]1CCCO1)CC2 ZINC001610692188 1019719521 /nfs/dbraw/zinc/71/95/21/1019719521.db2.gz USPMQMTXERSWNP-WDEREUQCSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCC2(C3CC3)CC2)C1 ZINC001610691645 1019720359 /nfs/dbraw/zinc/72/03/59/1019720359.db2.gz WMLWPSFPZQCFMD-GXSJLCMTSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@@H]2CC=CCC2)C1 ZINC001610693012 1019720518 /nfs/dbraw/zinc/72/05/18/1019720518.db2.gz YOKMMCLWWYXRBB-GRYCIOLGSA-N -1 0 310.350 -0.247 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)CNC(=O)c1ccccc1 ZINC001610685471 1019720886 /nfs/dbraw/zinc/72/08/86/1019720886.db2.gz FAQFQZFOKXJJDT-AAEUAGOBSA-N -1 0 306.318 -0.147 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCSC1 ZINC001610683562 1019721393 /nfs/dbraw/zinc/72/13/93/1019721393.db2.gz VLGBLRQYSWKOQZ-OQPBUACISA-N -1 0 324.362 -0.161 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1cc(Cl)ccc1-n1cnnn1 ZINC001610696688 1019721459 /nfs/dbraw/zinc/72/14/59/1019721459.db2.gz XCIAZRXKZDKINS-VIFPVBQESA-N -1 0 311.685 -0.509 20 0 DBADRM CC/C(C)=C\C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001506095074 1019722022 /nfs/dbraw/zinc/72/20/22/1019722022.db2.gz QFRMBSCPCZDOQZ-POHAHGRESA-N -1 0 309.370 -0.080 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)C(=O)Nc3cc4n(n3)CCCC4)C[C@@H]21 ZINC001610704986 1019722833 /nfs/dbraw/zinc/72/28/33/1019722833.db2.gz DLCJDBLJYVAHQH-IAZYJMLFSA-N -1 0 318.333 -0.053 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001610717847 1019723192 /nfs/dbraw/zinc/72/31/92/1019723192.db2.gz YLXDIOPJFRWRFG-SRQIZXRXSA-N -1 0 300.208 -0.018 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)c1cnn2ncccc12 ZINC001610701590 1019723208 /nfs/dbraw/zinc/72/32/08/1019723208.db2.gz MOEZNCJWKNHVOT-JTQLQIEISA-N -1 0 300.278 -0.122 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@H]2CN3CCN2CC3)CCC1 ZINC001610727143 1019723681 /nfs/dbraw/zinc/72/36/81/1019723681.db2.gz BRLFFGWLGKGEHL-NSHDSACASA-N -1 0 317.411 -0.840 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)c2cn(C)cn2)c1[O-] ZINC001575779289 1019723961 /nfs/dbraw/zinc/72/39/61/1019723961.db2.gz YKWYKEDXRYCFMK-UHFFFAOYSA-N -1 0 306.326 -0.293 20 0 DBADRM O=C([O-])c1ccc(NC(=O)NCc2nnnn2C2CC2)nn1 ZINC001610699081 1019724118 /nfs/dbraw/zinc/72/41/18/1019724118.db2.gz FXSHLNHLWSDQRM-UHFFFAOYSA-N -1 0 304.270 -0.182 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001610701903 1019724345 /nfs/dbraw/zinc/72/43/45/1019724345.db2.gz WCRNCFGVGDVSJD-KOLCDFICSA-N -1 0 303.322 -0.019 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC(F)(F)C2)C1 ZINC001610734465 1019725200 /nfs/dbraw/zinc/72/52/00/1019725200.db2.gz IWWBEVKKFQXHIY-JGVFFNPUSA-N -1 0 306.265 -0.852 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC(F)(F)C2)C1 ZINC001610734468 1019725744 /nfs/dbraw/zinc/72/57/44/1019725744.db2.gz IWWBEVKKFQXHIY-YUMQZZPRSA-N -1 0 306.265 -0.852 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)NCc2nc(C3CC3)no2)C1 ZINC001610737709 1019726472 /nfs/dbraw/zinc/72/64/72/1019726472.db2.gz LGYLHZLXLHHAFL-IUCAKERBSA-N -1 0 310.310 -0.076 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)NCc2noc(C3CC3)n2)C1 ZINC001610738403 1019727996 /nfs/dbraw/zinc/72/79/96/1019727996.db2.gz PEYPZEFXEDPNDM-DTWKUNHWSA-N -1 0 310.310 -0.076 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)CC(=O)NCC(F)(F)F)CCOC1 ZINC001610755807 1019730320 /nfs/dbraw/zinc/73/03/20/1019730320.db2.gz PYZXSFWYUIDIKE-JTQLQIEISA-N -1 0 312.244 -0.195 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)C[C@H]2CCCS(=O)(=O)C2)CCOC1 ZINC001610755710 1019731694 /nfs/dbraw/zinc/73/16/94/1019731694.db2.gz JKYTZHYOSNMPQE-MFKMUULPSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCCN1CCOCC1 ZINC001610763013 1019732460 /nfs/dbraw/zinc/73/24/60/1019732460.db2.gz MOUSJUXQXFJGIN-GFCCVEGCSA-N -1 0 320.411 -0.022 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cc2n[nH]nc2cc1F ZINC001610760048 1019732479 /nfs/dbraw/zinc/73/24/79/1019732479.db2.gz VGJQUOXXTYLMOT-SNVBAGLBSA-N -1 0 321.268 -0.488 20 0 DBADRM O=C([O-])CCNC(=O)CN1CC(=O)N(Cc2ccccc2)C1 ZINC001610774231 1019732941 /nfs/dbraw/zinc/73/29/41/1019732941.db2.gz KQSQDCFLXLQFLL-UHFFFAOYSA-N -1 0 305.334 -0.121 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)CN1CCOCC1=O ZINC001610765136 1019733047 /nfs/dbraw/zinc/73/30/47/1019733047.db2.gz IIRIPPAEKDCCHX-SECBINFHSA-N -1 0 302.352 -0.736 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCC(C(=O)N2CCCC2)CC1 ZINC001610774245 1019733526 /nfs/dbraw/zinc/73/35/26/1019733526.db2.gz LETOZHPWMQWGSX-UHFFFAOYSA-N -1 0 311.382 -0.088 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCSC2)CCO1 ZINC001610763678 1019733698 /nfs/dbraw/zinc/73/36/98/1019733698.db2.gz YJQLPTPPEYIXMB-RKDXNWHRSA-N -1 0 302.352 -0.690 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)CN1CCOCC1=O ZINC001610765137 1019734404 /nfs/dbraw/zinc/73/44/04/1019734404.db2.gz IIRIPPAEKDCCHX-VIFPVBQESA-N -1 0 302.352 -0.736 20 0 DBADRM O=C([O-])CCS(=O)(=O)[N-]C(=O)C1CC[NH+](C2CC2)CC1 ZINC001610774972 1019734620 /nfs/dbraw/zinc/73/46/20/1019734620.db2.gz AEUNBHGRKXNPNJ-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC001610783110 1019735499 /nfs/dbraw/zinc/73/54/99/1019735499.db2.gz MSYHXYSLOSQAJE-VHSXEESVSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@]1(F)CCOC1 ZINC001610780060 1019735911 /nfs/dbraw/zinc/73/59/11/1019735911.db2.gz RKZWEBNMMWYIRE-ZDUSSCGKSA-N -1 0 304.318 -0.640 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)CCS(=O)(=O)C1CCCC1 ZINC001610782248 1019736399 /nfs/dbraw/zinc/73/63/99/1019736399.db2.gz MPZUSLQQLQEIEV-UHFFFAOYSA-N -1 0 320.367 -0.949 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)COc1ccccc1O ZINC001610782692 1019736482 /nfs/dbraw/zinc/73/64/82/1019736482.db2.gz JHSRVOKDGQVGEJ-SNVBAGLBSA-N -1 0 322.317 -0.037 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1c(Cl)nc2ccccn21 ZINC001610782322 1019736823 /nfs/dbraw/zinc/73/68/23/1019736823.db2.gz UMDUAPNPJMADTB-UHFFFAOYSA-N -1 0 310.697 -0.082 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)c1ccco1 ZINC001610780175 1019737111 /nfs/dbraw/zinc/73/71/11/1019737111.db2.gz RNGYECUWBQVAEE-UHFFFAOYSA-N -1 0 318.351 -0.313 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)Cn1cc(Cl)cn1 ZINC001610784669 1019737173 /nfs/dbraw/zinc/73/71/73/1019737173.db2.gz ZTANZQZTWVCMGZ-SECBINFHSA-N -1 0 314.729 -0.272 20 0 DBADRM O=C([O-])COc1cccc(CNC(=O)N2C[C@H](O)C[C@H]2CO)c1 ZINC001610788021 1019737493 /nfs/dbraw/zinc/73/74/93/1019737493.db2.gz VRQOAQPZOCAZTR-NWDGAFQWSA-N -1 0 324.333 -0.213 20 0 DBADRM O=C([O-])c1c(N2CC[C@@H](CO)C2)ncnc1N1CC[C@@H](CO)C1 ZINC001610807332 1019738718 /nfs/dbraw/zinc/73/87/18/1019738718.db2.gz RTBDJBIUCIVHTC-GHMZBOCLSA-N -1 0 322.365 -0.188 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(Cc1noc(C3CC3)n1)c2=O ZINC001610800822 1019738993 /nfs/dbraw/zinc/73/89/93/1019738993.db2.gz FYKDYTYUVXSLBE-UHFFFAOYSA-N -1 0 316.277 -0.014 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)CCOCc1ccccc1 ZINC001610801418 1019739252 /nfs/dbraw/zinc/73/92/52/1019739252.db2.gz XSZQDACEMXHZHN-NSHDSACASA-N -1 0 303.336 -0.432 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)CN2C[C@@H](O)C[C@H]2CO)n1 ZINC001610799260 1019739747 /nfs/dbraw/zinc/73/97/47/1019739747.db2.gz ZOGVLCBUQMAPHX-IUCAKERBSA-N -1 0 315.351 -0.864 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(C[C@H](O)CC(F)(F)F)c2=O ZINC001610800748 1019739837 /nfs/dbraw/zinc/73/98/37/1019739837.db2.gz CUPGIMOKPKEXQN-ZCFIWIBFSA-N -1 0 320.227 -0.009 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)CN1CC(=O)NC1=O ZINC001610797110 1019740126 /nfs/dbraw/zinc/74/01/26/1019740126.db2.gz CLVZAZASLLGBET-UHFFFAOYSA-N -1 0 305.290 -0.518 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@@H](O)Cc2ccccc2)nn1 ZINC001610859787 1019741214 /nfs/dbraw/zinc/74/12/14/1019741214.db2.gz XCNPTKIWBQKILM-LBPRGKRZSA-N -1 0 304.306 -0.304 20 0 DBADRM O=C([O-])c1c(N2CC[C@@H](CO)C2)ncnc1N1CC[C@H](CO)C1 ZINC001610807333 1019742337 /nfs/dbraw/zinc/74/23/37/1019742337.db2.gz RTBDJBIUCIVHTC-PHIMTYICSA-N -1 0 322.365 -0.188 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCN3C(=O)OCC[C@@H]3C2)nn1 ZINC001610859287 1019743186 /nfs/dbraw/zinc/74/31/86/1019743186.db2.gz MIHKMXAIIVCIDH-MRVPVSSYSA-N -1 0 309.282 -0.971 20 0 DBADRM O=C([O-])c1cc(C(=O)NC(CO)CO)n(-c2ccccc2)n1 ZINC001610809469 1019743656 /nfs/dbraw/zinc/74/36/56/1019743656.db2.gz NBANNYPLJPRDAT-UHFFFAOYSA-N -1 0 305.290 -0.347 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)NCCNc2cnccn2)c1 ZINC001610865241 1019747120 /nfs/dbraw/zinc/74/71/20/1019747120.db2.gz ACTGDDOWRCILNC-UHFFFAOYSA-N -1 0 323.334 -0.040 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001610870325 1019747434 /nfs/dbraw/zinc/74/74/34/1019747434.db2.gz AJIVGIOWAKBJRT-ZCFIWIBFSA-N -1 0 304.266 -0.177 20 0 DBADRM O=C([O-])c1coc(C(=O)CN2C(=O)N[C@@]3(CCOC3)C2=O)c1 ZINC001610866059 1019747785 /nfs/dbraw/zinc/74/77/85/1019747785.db2.gz CRKQSFKJEWAHCB-CYBMUJFWSA-N -1 0 308.246 -0.129 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)CCN3CCCC3=O)C[C@H]1COCC2 ZINC001610882493 1019748169 /nfs/dbraw/zinc/74/81/69/1019748169.db2.gz HORCTUZTGLNCOM-XHDPSFHLSA-N -1 0 310.350 -0.051 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@@H]21 ZINC001610887154 1019749593 /nfs/dbraw/zinc/74/95/93/1019749593.db2.gz QOKNPMIAJLNWLB-URLYPYJESA-N -1 0 300.270 -0.027 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC3(COC(=O)N3)CC2)nn1 ZINC001610887382 1019749703 /nfs/dbraw/zinc/74/97/03/1019749703.db2.gz SHTHZRLCVZANAP-UHFFFAOYSA-N -1 0 309.282 -0.923 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001610892484 1019749760 /nfs/dbraw/zinc/74/97/60/1019749760.db2.gz UAHNFSVGYBKCTN-UHFFFAOYSA-N -1 0 321.333 -0.405 20 0 DBADRM CN(C)c1ncc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])s1 ZINC001610904651 1019749795 /nfs/dbraw/zinc/74/97/95/1019749795.db2.gz LRWNOHCESINKFL-VIFPVBQESA-N -1 0 319.408 -0.107 20 0 DBADRM CN(CCC(=O)[O-])C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001610924151 1019749818 /nfs/dbraw/zinc/74/98/18/1019749818.db2.gz PBGNAFGEWBNVHH-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 ZINC001610886810 1019750705 /nfs/dbraw/zinc/75/07/05/1019750705.db2.gz LGJQFOZFBLSPGZ-UHFFFAOYSA-N -1 0 318.285 -0.378 20 0 DBADRM CN(C)c1ccccc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001610904612 1019750883 /nfs/dbraw/zinc/75/08/83/1019750883.db2.gz CXMBFLCPDQGKMN-CQSZACIVSA-N -1 0 309.322 -0.357 20 0 DBADRM CN(CCC(=O)[O-])C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001610924150 1019751246 /nfs/dbraw/zinc/75/12/46/1019751246.db2.gz PBGNAFGEWBNVHH-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)NCC(=O)[O-])ccc1F ZINC001610960258 1019751943 /nfs/dbraw/zinc/75/19/43/1019751943.db2.gz ORDOPWZWZRSDAF-UHFFFAOYSA-N -1 0 305.287 -0.060 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])cn1C ZINC001610976916 1019753321 /nfs/dbraw/zinc/75/33/21/1019753321.db2.gz YGJIPPAWMPREFJ-ZETCQYMHSA-N -1 0 311.294 -0.270 20 0 DBADRM O=C(COCc1cc[nH]c(=O)c1)NCCCc1n[nH]c(=O)[n-]1 ZINC001610957025 1019753810 /nfs/dbraw/zinc/75/38/10/1019753810.db2.gz OVBIBUHATBATAP-UHFFFAOYSA-N -1 0 307.310 -0.124 20 0 DBADRM CN(Cc1cccnc1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001610944743 1019754175 /nfs/dbraw/zinc/75/41/75/1019754175.db2.gz DPDDCKRAJLGDCQ-NSHDSACASA-N -1 0 307.306 -0.648 20 0 DBADRM CO[C@@H](C)c1noc(C[S@@](=O)CC(=O)NCC(=O)[O-])n1 ZINC001610990539 1019754825 /nfs/dbraw/zinc/75/48/25/1019754825.db2.gz AAOJYODKDVWKEY-SVPXGXJHSA-N -1 0 305.312 -0.774 20 0 DBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)N(C)CCC(=O)[O-] ZINC001611012083 1019755242 /nfs/dbraw/zinc/75/52/42/1019755242.db2.gz ADMBRVZHAQKMRC-WDEREUQCSA-N -1 0 304.343 -0.077 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC001611074575 1019755493 /nfs/dbraw/zinc/75/54/93/1019755493.db2.gz KXVGGBOAUDPBRG-ZCFIWIBFSA-N -1 0 315.307 -0.598 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)CSCC(=O)[O-] ZINC001611078340 1019755701 /nfs/dbraw/zinc/75/57/01/1019755701.db2.gz FLUJBZIOVMXCPZ-VIFPVBQESA-N -1 0 324.424 -0.266 20 0 DBADRM COC1CCC(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CC1 ZINC001610991664 1019756762 /nfs/dbraw/zinc/75/67/62/1019756762.db2.gz XEKVGLLAUWGDNW-ILDUYXDCSA-N -1 0 319.379 -0.098 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC001611074574 1019757037 /nfs/dbraw/zinc/75/70/37/1019757037.db2.gz KXVGGBOAUDPBRG-LURJTMIESA-N -1 0 315.307 -0.598 20 0 DBADRM Cc1ccc(CN(C)C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)nc1 ZINC001611177399 1019759297 /nfs/dbraw/zinc/75/92/97/1019759297.db2.gz UOFACUKBGHQUKF-LBPRGKRZSA-N -1 0 321.333 -0.340 20 0 DBADRM Cc1onc2c1c(C)nn(CCS(=O)(=O)CC(=O)[O-])c2=O ZINC001611254369 1019760407 /nfs/dbraw/zinc/76/04/07/1019760407.db2.gz MVNUVSPKMZNJGA-UHFFFAOYSA-N -1 0 315.307 -0.499 20 0 DBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)CCC(=O)[O-])cc1 ZINC001611304742 1019760725 /nfs/dbraw/zinc/76/07/25/1019760725.db2.gz GLLJERQCSREZKP-UHFFFAOYSA-N -1 0 307.306 -0.617 20 0 DBADRM NC(=O)CCC1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001611304849 1019760973 /nfs/dbraw/zinc/76/09/73/1019760973.db2.gz PWCQIQLMBITSAA-UHFFFAOYSA-N -1 0 306.384 -0.537 20 0 DBADRM NC(=O)C[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1ccccc1 ZINC001611309380 1019761374 /nfs/dbraw/zinc/76/13/74/1019761374.db2.gz FFVMBPVRFKKZIN-GXSJLCMTSA-N -1 0 305.290 -0.051 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001611282842 1019761430 /nfs/dbraw/zinc/76/14/30/1019761430.db2.gz KXOPCQMDFLVRQR-ZJUUUORDSA-N -1 0 321.337 -0.588 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCOc2cccnc2)C1 ZINC001611338595 1019761507 /nfs/dbraw/zinc/76/15/07/1019761507.db2.gz ZEPMBWHVYZRNRO-JTQLQIEISA-N -1 0 307.306 -0.490 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cnn(C(F)F)c2)CCO1 ZINC001611349512 1019761765 /nfs/dbraw/zinc/76/17/65/1019761765.db2.gz HFYDUROTOCAYJX-SSDOTTSWSA-N -1 0 318.236 -0.471 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CCOC[C@H]1CCCO1 ZINC001611401343 1019763337 /nfs/dbraw/zinc/76/33/37/1019763337.db2.gz BWYLOTHAUFKDDD-GHMZBOCLSA-N -1 0 307.368 -0.634 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2C[C@H]3CCCCN3C2=O)CCO1 ZINC001611391796 1019763435 /nfs/dbraw/zinc/76/34/35/1019763435.db2.gz VFDTZYSMDLFXDY-VWYCJHECSA-N -1 0 311.338 -0.365 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1C[C@]12CCOC2 ZINC001611401865 1019763448 /nfs/dbraw/zinc/76/34/48/1019763448.db2.gz RXOSTTQNMUDOMF-PTRXPTGYSA-N -1 0 303.336 -0.877 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCN(CC(F)(F)F)C(=O)C2)C1 ZINC001611361619 1019764089 /nfs/dbraw/zinc/76/40/89/1019764089.db2.gz FJGOKODQCKMQNL-SSDOTTSWSA-N -1 0 323.227 -0.551 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCC3(CC2)OCCO3)C1 ZINC001611369682 1019764141 /nfs/dbraw/zinc/76/41/41/1019764141.db2.gz MRXWZQYBUKWECZ-JTQLQIEISA-N -1 0 312.322 -0.715 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC001611401685 1019764457 /nfs/dbraw/zinc/76/44/57/1019764457.db2.gz MWTHYYIHZYTZGK-QYNIQEEDSA-N -1 0 315.269 -0.105 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@]3(CCOC3)C2)CC1 ZINC001611369661 1019764474 /nfs/dbraw/zinc/76/44/74/1019764474.db2.gz INSRFGGJISNFTR-HNNXBMFYSA-N -1 0 310.350 -0.051 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CCO)CCO1 ZINC001611387116 1019764659 /nfs/dbraw/zinc/76/46/59/1019764659.db2.gz NXFJTLUZHADXQX-QWRGUYRKSA-N -1 0 314.338 -0.938 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC001611362532 1019765098 /nfs/dbraw/zinc/76/50/98/1019765098.db2.gz WICJUXGDWPTTBE-KOLCDFICSA-N -1 0 309.322 -0.313 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCN(c3cccnn3)CC2)C1 ZINC001611361625 1019765146 /nfs/dbraw/zinc/76/51/46/1019765146.db2.gz FKPAOXZJMQWNOB-JTQLQIEISA-N -1 0 305.294 -0.645 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC(N2CCCC2=O)CC1 ZINC001611488521 1019765931 /nfs/dbraw/zinc/76/59/31/1019765931.db2.gz LDXLBJHFBYXQMN-UHFFFAOYSA-N -1 0 318.395 -0.427 20 0 DBADRM O=C([O-])CCc1cccc(NC(=O)C(=O)N[C@@H]2COC[C@H]2O)c1 ZINC001611459511 1019766058 /nfs/dbraw/zinc/76/60/58/1019766058.db2.gz HKWZXDNIEGRVGX-VXGBXAGGSA-N -1 0 322.317 -0.482 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001506162890 1019768195 /nfs/dbraw/zinc/76/81/95/1019768195.db2.gz YOZFOYWLHAUBTQ-SFYZADRCSA-N -1 0 309.326 -0.890 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cn1cnc2c(C)cccc2c1=O ZINC001616310766 1019776411 /nfs/dbraw/zinc/77/64/11/1019776411.db2.gz DZNHGKRCTXKUKT-UHFFFAOYSA-N -1 0 304.306 -0.501 20 0 DBADRM CO[N-]C(=O)CNC(=O)COc1ccc2ccc(=O)oc2c1 ZINC001616310757 1019777639 /nfs/dbraw/zinc/77/76/39/1019777639.db2.gz DTIHWSHORQPAJN-UHFFFAOYSA-N -1 0 306.274 -0.034 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1C[C@@H](C)O[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001575971551 1019778168 /nfs/dbraw/zinc/77/81/68/1019778168.db2.gz YACTWUJPVVFSFA-XFWSIPNHSA-N -1 0 320.357 -0.051 20 0 DBADRM CC1(C)OC[C@H](/C=C/C(=O)N2CCC(O)(c3nnn[n-]3)CC2)O1 ZINC001617702599 1019786360 /nfs/dbraw/zinc/78/63/60/1019786360.db2.gz BTGZLIMXZXMEKE-FSIBCCDJSA-N -1 0 323.353 -0.283 20 0 DBADRM O=C(c1ccc2nonc2c1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001617703328 1019787043 /nfs/dbraw/zinc/78/70/43/1019787043.db2.gz PXYPGEQUAUCXGB-UHFFFAOYSA-N -1 0 315.293 -0.140 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cc(S(C)(=O)=O)ccc1C ZINC001618148478 1019792856 /nfs/dbraw/zinc/79/28/56/1019792856.db2.gz OGCMJSSYQRDCEF-UHFFFAOYSA-N -1 0 300.336 -0.194 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cc(C(C)(C)C)n2ncnc2n1 ZINC001618148491 1019793472 /nfs/dbraw/zinc/79/34/72/1019793472.db2.gz OHLZWGBEKLQTKE-UHFFFAOYSA-N -1 0 306.326 -0.171 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001618148226 1019793896 /nfs/dbraw/zinc/79/38/96/1019793896.db2.gz JRHKRLOKOMNWOR-SECBINFHSA-N -1 0 309.297 -0.028 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001576124962 1019811764 /nfs/dbraw/zinc/81/17/64/1019811764.db2.gz CNZUHHFITHEUFA-JGVFFNPUSA-N -1 0 319.325 -0.566 20 0 DBADRM C[C@H]1CN(C(=O)C2CC2)C[C@H]1Nc1ccnc(-c2nnn[n-]2)n1 ZINC001576231747 1019826632 /nfs/dbraw/zinc/82/66/32/1019826632.db2.gz IEEIWFJKRRJABL-WCBMZHEXSA-N -1 0 314.353 -0.253 20 0 DBADRM CCC(=O)N1CCO[C@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001576420717 1019848660 /nfs/dbraw/zinc/84/86/60/1019848660.db2.gz CJSIWUYZOBLAEX-SECBINFHSA-N -1 0 318.341 -0.294 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001576581654 1019870088 /nfs/dbraw/zinc/87/00/88/1019870088.db2.gz OHEPTGCLQWXXEG-BDAKNGLRSA-N -1 0 320.357 -0.986 20 0 DBADRM CC[C@H](C)[C@@H](C)NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576601641 1019872001 /nfs/dbraw/zinc/87/20/01/1019872001.db2.gz VARFZUSBLGPPDH-JGVFFNPUSA-N -1 0 321.341 -0.320 20 0 DBADRM CCCC(=O)NCCCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001576666969 1019877721 /nfs/dbraw/zinc/87/77/21/1019877721.db2.gz QAEVMGWAHVVJRD-UHFFFAOYSA-N -1 0 310.354 -0.136 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C/C=C\Cl)C1 ZINC001506672799 1019886553 /nfs/dbraw/zinc/88/65/53/1019886553.db2.gz VVHVUBVEHMWESE-KZUAUGPASA-N -1 0 315.761 -0.122 20 0 DBADRM CCC(CC)NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576763422 1019887541 /nfs/dbraw/zinc/88/75/41/1019887541.db2.gz ZIRCXVYUOUBZGJ-UHFFFAOYSA-N -1 0 307.314 -0.566 20 0 DBADRM CC(=O)NC[C@]1(C)CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001506688298 1019888963 /nfs/dbraw/zinc/88/89/63/1019888963.db2.gz JQVAGSOZXVQJTA-ZDUSSCGKSA-N -1 0 311.342 -0.546 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCN(C)C(=O)Cc2cc[nH]n2)c1[O-] ZINC001576959464 1019965203 /nfs/dbraw/zinc/96/52/03/1019965203.db2.gz UUYSPBAHOKRTAU-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM CC[C@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)[C@@H](O)C(C)C ZINC001576976737 1019972538 /nfs/dbraw/zinc/97/25/38/1019972538.db2.gz XQLSSIYOPBGHRH-UTLUCORTSA-N -1 0 322.373 -0.069 20 0 DBADRM CC[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C(C)(C)O ZINC001576999868 1019976901 /nfs/dbraw/zinc/97/69/01/1019976901.db2.gz XLBJQQKCBKFMBR-ZCFIWIBFSA-N -1 0 309.330 -0.373 20 0 DBADRM CCC1(CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)COC1 ZINC001577110544 1020004320 /nfs/dbraw/zinc/00/43/20/1020004320.db2.gz OFPFFFZDUWGPPS-UHFFFAOYSA-N -1 0 321.345 -0.816 20 0 DBADRM CC[C@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@@H]1C ZINC001577159725 1020016021 /nfs/dbraw/zinc/01/60/21/1020016021.db2.gz ARTBSKMRUHSOGH-BDAKNGLRSA-N -1 0 319.369 -0.111 20 0 DBADRM CCC[C@@H](O)CCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001577326582 1020054353 /nfs/dbraw/zinc/05/43/53/1020054353.db2.gz SQGXRFLXKBQWIN-MRVPVSSYSA-N -1 0 323.357 -0.773 20 0 DBADRM CCCCC(=O)NC[C@@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001577417567 1020061899 /nfs/dbraw/zinc/06/18/99/1020061899.db2.gz SNBOYNNAPXLTEO-VIFPVBQESA-N -1 0 320.357 -0.842 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(Cc2cn[nH]n2)C2CC2)c1[O-] ZINC001577518876 1020073863 /nfs/dbraw/zinc/07/38/63/1020073863.db2.gz PTFUSIDPOHOQMW-UHFFFAOYSA-N -1 0 305.342 -0.064 20 0 DBADRM CCCN(CC(N)=O)C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001577576039 1020083457 /nfs/dbraw/zinc/08/34/57/1020083457.db2.gz NFYSQCXVQNSTAU-UHFFFAOYSA-N -1 0 319.325 -0.387 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCc2cn[nH]n2)c1 ZINC001577740778 1020116001 /nfs/dbraw/zinc/11/60/01/1020116001.db2.gz VVFDAMRYDOMSLQ-UHFFFAOYSA-N -1 0 311.323 -0.870 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2nccs2)c1[O-] ZINC001507186830 1020146836 /nfs/dbraw/zinc/14/68/36/1020146836.db2.gz AGYUBYDAXUAKAZ-MRVPVSSYSA-N -1 0 311.367 -0.239 20 0 DBADRM Cc1conc1CN[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001507190273 1020155979 /nfs/dbraw/zinc/15/59/79/1020155979.db2.gz TUQRTYBRUMUJPD-SECBINFHSA-N -1 0 309.326 -0.399 20 0 DBADRM CCN1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nn[nH]n3)[nH]1)CO2 ZINC001578215614 1020204048 /nfs/dbraw/zinc/20/40/48/1020204048.db2.gz OBFYWXQLIHWPKW-SECBINFHSA-N -1 0 317.353 -0.212 20 0 DBADRM CCNC(=O)C(C)(C)NC(=O)Cc1noc(C)c1-c1nn[nH]n1 ZINC001578227282 1020204319 /nfs/dbraw/zinc/20/43/19/1020204319.db2.gz CATGUVZVHJBORB-UHFFFAOYSA-N -1 0 321.341 -0.263 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)NCc1nc(-c2nn[nH]n2)cs1 ZINC001578227677 1020204517 /nfs/dbraw/zinc/20/45/17/1020204517.db2.gz QXQDJKKIOVNIDY-ZCFIWIBFSA-N -1 0 324.370 -0.353 20 0 DBADRM O=C(CCc1ccccn1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001507223888 1020205657 /nfs/dbraw/zinc/20/56/57/1020205657.db2.gz CDRKYWFNBIFPTG-NSHDSACASA-N -1 0 320.353 -0.895 20 0 DBADRM CCOCC(=O)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001578346538 1020215987 /nfs/dbraw/zinc/21/59/87/1020215987.db2.gz AUAOUPFMQNNFIC-SECBINFHSA-N -1 0 318.341 -0.872 20 0 DBADRM CCOCC(=O)N[C@H](C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001578354770 1020219976 /nfs/dbraw/zinc/21/99/76/1020219976.db2.gz LFGSLQJMWAPXAS-SECBINFHSA-N -1 0 320.357 -0.578 20 0 DBADRM CCOCC(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001578354376 1020220293 /nfs/dbraw/zinc/22/02/93/1020220293.db2.gz BNZJJJALNDSXPR-BDAKNGLRSA-N -1 0 320.357 -0.580 20 0 DBADRM CCOCC(=O)NCC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001578362128 1020221637 /nfs/dbraw/zinc/22/16/37/1020221637.db2.gz AHGWFAXAKLSUPI-VIFPVBQESA-N -1 0 320.357 -0.578 20 0 DBADRM CCOCC(=O)NCC[C@@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001578362383 1020221931 /nfs/dbraw/zinc/22/19/31/1020221931.db2.gz JEDJLLTZYXLVMZ-SECBINFHSA-N -1 0 320.357 0.000 20 0 DBADRM CCOCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001578364719 1020222723 /nfs/dbraw/zinc/22/27/23/1020222723.db2.gz DRHBCWZDFQIHTO-DTORHVGOSA-N -1 0 318.341 -0.826 20 0 DBADRM CCOCC(=O)NCC[C@@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001578362823 1020223070 /nfs/dbraw/zinc/22/30/70/1020223070.db2.gz XLSQJRGWTPJYIE-SECBINFHSA-N -1 0 320.357 0.000 20 0 DBADRM CC[S@](=O)CCNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001578417119 1020232273 /nfs/dbraw/zinc/23/22/73/1020232273.db2.gz FKFYCDHUGHHBLU-QFIPXVFZSA-N -1 0 324.366 -0.226 20 0 DBADRM CCc1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)n(C)n1 ZINC001578510249 1020249170 /nfs/dbraw/zinc/24/91/70/1020249170.db2.gz DZYWZRKAYQYHSG-UHFFFAOYSA-N -1 0 316.329 -0.816 20 0 DBADRM CCc1nc(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)co1 ZINC001578620320 1020274807 /nfs/dbraw/zinc/27/48/07/1020274807.db2.gz RYDMHAJMZPHLTQ-SSDOTTSWSA-N -1 0 317.313 -0.114 20 0 DBADRM CCc1nc(Cn2c(=O)c(-c3nnn[n-]3)c(C)n(C)c2=O)no1 ZINC001578619566 1020275502 /nfs/dbraw/zinc/27/55/02/1020275502.db2.gz FCZMSROTURJYOI-UHFFFAOYSA-N -1 0 318.297 -0.971 20 0 DBADRM CCC(=O)NCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC001507370015 1020302373 /nfs/dbraw/zinc/30/23/73/1020302373.db2.gz SXCBRXLOMIGSTO-VHSXEESVSA-N -1 0 324.385 -0.494 20 0 DBADRM CCn1nc(C)c(C(=O)Cn2cccc(-c3nnn[n-]3)c2=O)n1 ZINC001578801773 1020303333 /nfs/dbraw/zinc/30/33/33/1020303333.db2.gz NUSQKIHSRBFGCE-UHFFFAOYSA-N -1 0 314.309 -0.169 20 0 DBADRM CCC(=O)NCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC001507370013 1020303996 /nfs/dbraw/zinc/30/39/96/1020303996.db2.gz SXCBRXLOMIGSTO-UWVGGRQHSA-N -1 0 324.385 -0.494 20 0 DBADRM C/C=C(\C)C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001578808211 1020307716 /nfs/dbraw/zinc/30/77/16/1020307716.db2.gz FKGSYLSYNBACOC-HDXDTZNISA-N -1 0 320.349 -0.171 20 0 DBADRM CCn1ncn([N-]C(=O)c2ccc(-c3nn[nH]n3)cc2F)c1=O ZINC001578827717 1020313212 /nfs/dbraw/zinc/31/32/12/1020313212.db2.gz BZMJCWAJDJOVTF-UHFFFAOYSA-N -1 0 318.272 -0.232 20 0 DBADRM CN(C(C)(C)C(N)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001578952344 1020332969 /nfs/dbraw/zinc/33/29/69/1020332969.db2.gz ZJGXHTGIRLRBIK-UHFFFAOYSA-N -1 0 314.327 -0.656 20 0 DBADRM CN(CCNC(=O)[C@H]1CC1(F)F)c1ccnc(-c2nnn[n-]2)n1 ZINC001579167101 1020385760 /nfs/dbraw/zinc/38/57/60/1020385760.db2.gz OURAGTRVGJTZKW-SSDOTTSWSA-N -1 0 324.295 -0.136 20 0 DBADRM CN(CCNC(=O)c1cn[nH]c1)c1ncccc1-c1nn[nH]n1 ZINC001579201237 1020391937 /nfs/dbraw/zinc/39/19/37/1020391937.db2.gz KSYGRWZPAGIQMK-UHFFFAOYSA-N -1 0 313.325 -0.149 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)c1cocn1 ZINC001579214426 1020394480 /nfs/dbraw/zinc/39/44/80/1020394480.db2.gz CDYMYASNUTWEBS-UHFFFAOYSA-N -1 0 315.297 -0.749 20 0 DBADRM CN(Cc1cccc(=O)[nH]1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001579257469 1020399046 /nfs/dbraw/zinc/39/90/46/1020399046.db2.gz SRSLABOUMSYWEZ-UHFFFAOYSA-N -1 0 315.297 -0.783 20 0 DBADRM CNC(=O)c1cccc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)n1 ZINC001579423992 1020453041 /nfs/dbraw/zinc/45/30/41/1020453041.db2.gz RTZSETGXRMVWPQ-UHFFFAOYSA-N -1 0 313.281 -0.403 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)C1CC2(CC2)C1 ZINC001507697252 1020475778 /nfs/dbraw/zinc/47/57/78/1020475778.db2.gz PYDVZFBHZBEPPJ-NSHDSACASA-N -1 0 323.397 -0.048 20 0 DBADRM CO[C@H](C)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579532597 1020479972 /nfs/dbraw/zinc/47/99/72/1020479972.db2.gz JSDUYYVNFZJWOK-SSDOTTSWSA-N -1 0 319.325 -0.830 20 0 DBADRM CO[C@@H](C)C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001579533257 1020480270 /nfs/dbraw/zinc/48/02/70/1020480270.db2.gz HPSLXOUSXQZFEA-BDAKNGLRSA-N -1 0 320.357 -0.050 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579540214 1020483961 /nfs/dbraw/zinc/48/39/61/1020483961.db2.gz PDJFNSUTHZXRNU-SFYZADRCSA-N -1 0 321.341 -0.536 20 0 DBADRM CO[C@@H](C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579536726 1020486374 /nfs/dbraw/zinc/48/63/74/1020486374.db2.gz SPIGNYMGUQSZJP-DTWKUNHWSA-N -1 0 318.341 -0.874 20 0 DBADRM CO[C@H](C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[nH]n2)nn1 ZINC001579539036 1020487975 /nfs/dbraw/zinc/48/79/75/1020487975.db2.gz FIZPOVXCQYEARX-RKDXNWHRSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@H](C)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[nH]n1 ZINC001579540490 1020488818 /nfs/dbraw/zinc/48/88/18/1020488818.db2.gz RGWDRHRCYXAQDA-RKDXNWHRSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@H](CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001579592412 1020502998 /nfs/dbraw/zinc/50/29/98/1020502998.db2.gz NPGXUIDQGGRBGZ-SECBINFHSA-N -1 0 321.345 -0.818 20 0 DBADRM COCC(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nc1 ZINC001579622818 1020507463 /nfs/dbraw/zinc/50/74/63/1020507463.db2.gz AIOGCVTWLYBTTP-UHFFFAOYSA-N -1 0 321.341 -0.859 20 0 DBADRM COCC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579622853 1020507747 /nfs/dbraw/zinc/50/77/47/1020507747.db2.gz BAZBJOMDFMYZRO-UHFFFAOYSA-N -1 0 321.341 -0.628 20 0 DBADRM COCC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579623509 1020508217 /nfs/dbraw/zinc/50/82/17/1020508217.db2.gz IWLALRAHQUWNPT-UHFFFAOYSA-N -1 0 321.341 -0.628 20 0 DBADRM COC[C@H](C)C(=O)N[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001579678184 1020533798 /nfs/dbraw/zinc/53/37/98/1020533798.db2.gz CBZOZMGAOQHZHJ-DTWKUNHWSA-N -1 0 320.357 -0.722 20 0 DBADRM COC[C@@H](NC(=O)c1csc(-c2nn[nH]n2)c1)c1nnn[n-]1 ZINC001579699511 1020536394 /nfs/dbraw/zinc/53/63/94/1020536394.db2.gz KKYUIPYZKKUDTC-ZCFIWIBFSA-N -1 0 321.326 -0.441 20 0 DBADRM COCCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579770683 1020553182 /nfs/dbraw/zinc/55/31/82/1020553182.db2.gz GQILZXBYUWYUEP-KYZUINATSA-N -1 0 318.341 -0.826 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001579820578 1020567406 /nfs/dbraw/zinc/56/74/06/1020567406.db2.gz WATITRDQSLYKLN-UHFFFAOYSA-N -1 0 315.297 -0.826 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)/C=C/C1CC1 ZINC001579831477 1020569898 /nfs/dbraw/zinc/56/98/98/1020569898.db2.gz UHRVEDWLAMTRDB-KPJROHGDSA-N -1 0 307.310 -0.517 20 0 DBADRM CC[C@@H](C)C(=O)NC1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001508339318 1020572185 /nfs/dbraw/zinc/57/21/85/1020572185.db2.gz AZJRALFTVJVICC-AFPNSQJFSA-N -1 0 323.353 -0.047 20 0 DBADRM CO[C@@H]1CN(CCF)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579854306 1020574656 /nfs/dbraw/zinc/57/46/56/1020574656.db2.gz YPIZAGAEUHETPI-GHMZBOCLSA-N -1 0 323.332 -0.407 20 0 DBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001579867463 1020577403 /nfs/dbraw/zinc/57/74/03/1020577403.db2.gz CEGIUOSGMCWPIA-POYBYMJQSA-N -1 0 315.311 -0.848 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@H]2CCN(C)C2=O)c1[O-] ZINC001579884392 1020581894 /nfs/dbraw/zinc/58/18/94/1020581894.db2.gz BOMLCNCHBSOBNK-IONNQARKSA-N -1 0 323.353 -0.863 20 0 DBADRM C[C@@H](NC(=O)C1CC1)[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001508436397 1020591421 /nfs/dbraw/zinc/59/14/21/1020591421.db2.gz BYKLNKSDMJKYKF-SFYZADRCSA-N -1 0 308.338 -0.481 20 0 DBADRM CCC(=O)N[C@@H](C)[C@@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001508438612 1020592142 /nfs/dbraw/zinc/59/21/42/1020592142.db2.gz HNZYNJOQRNQZBG-JGVFFNPUSA-N -1 0 311.342 -0.365 20 0 DBADRM COc1ccc(CNC(=O)[C@H]2COC(=O)N2)cc1-c1nn[nH]n1 ZINC001580010958 1020624670 /nfs/dbraw/zinc/62/46/70/1020624670.db2.gz BDLNOHODXQXPIE-SECBINFHSA-N -1 0 318.293 -0.400 20 0 DBADRM C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@H](C)CCO1 ZINC001580345106 1020695459 /nfs/dbraw/zinc/69/54/59/1020695459.db2.gz RKQBMGBNBHZMBV-HTQZYQBOSA-N -1 0 321.341 -0.743 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1ccon1 ZINC001580417188 1020711947 /nfs/dbraw/zinc/71/19/47/1020711947.db2.gz WJIFIULCCOPUJE-SSDOTTSWSA-N -1 0 315.297 -0.703 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)CCCF ZINC001508979231 1020714011 /nfs/dbraw/zinc/71/40/11/1020714011.db2.gz HFGBUOIIZVYXFT-SSDOTTSWSA-N -1 0 315.305 -0.391 20 0 DBADRM CC[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001508979646 1020714796 /nfs/dbraw/zinc/71/47/96/1020714796.db2.gz IORJJUCCWNLGBQ-HTQZYQBOSA-N -1 0 311.342 -0.094 20 0 DBADRM C[C@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nn[nH]n4)c3n2)CCO1 ZINC001580445026 1020720944 /nfs/dbraw/zinc/72/09/44/1020720944.db2.gz MNLQHFMKFDMVDA-QMMMGPOBSA-N -1 0 316.325 -0.164 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC(=O)c2ccc[nH]2)c(=O)n1C ZINC001580521128 1020743773 /nfs/dbraw/zinc/74/37/73/1020743773.db2.gz HRCZZNXQRIWXSX-UHFFFAOYSA-N -1 0 315.293 -0.753 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@]1(C(F)(F)F)CCCN1 ZINC001580577938 1020754360 /nfs/dbraw/zinc/75/43/60/1020754360.db2.gz LTLFAICISPYMLL-VIFPVBQESA-N -1 0 309.248 -0.510 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@]1(CO)CCOC1 ZINC001580600725 1020764236 /nfs/dbraw/zinc/76/42/36/1020764236.db2.gz HVXFXCZJPBNTPJ-ZDUSSCGKSA-N -1 0 320.309 -0.843 20 0 DBADRM Cc1cc(-c2nn[nH]n2)cc(C)c1CC(=O)NCc1nnn[n-]1 ZINC001580613756 1020765786 /nfs/dbraw/zinc/76/57/86/1020765786.db2.gz HRCKQGILGVDIDN-UHFFFAOYSA-N -1 0 313.325 -0.144 20 0 DBADRM CN(CCNC(=O)C1CC=CC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001580702895 1020790202 /nfs/dbraw/zinc/79/02/02/1020790202.db2.gz XTGCEYZNTMDCKN-UHFFFAOYSA-N -1 0 320.349 -0.360 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)ncc1-c1nn[nH]n1 ZINC001580840497 1020803404 /nfs/dbraw/zinc/80/34/04/1020803404.db2.gz LJOUVLATJLEDCW-QMMMGPOBSA-N -1 0 322.350 -0.513 20 0 DBADRM C/C=C(\C)C(=O)NCCN(CC)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001581060663 1020822859 /nfs/dbraw/zinc/82/28/59/1020822859.db2.gz JVYXCGGWBJTWJI-XBXARRHUSA-N -1 0 309.326 -0.173 20 0 DBADRM CC(=O)N[C@H](C)CCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001509941130 1020824070 /nfs/dbraw/zinc/82/40/70/1020824070.db2.gz PSDWVEMVWVCVLO-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1C(=O)NCCc1nc(=O)o[n-]1 ZINC001581133843 1020825507 /nfs/dbraw/zinc/82/55/07/1020825507.db2.gz JTLBZIWURIONGP-UHFFFAOYSA-N -1 0 315.293 -0.176 20 0 DBADRM Cc1coc(Sc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)n1 ZINC001581367924 1020832444 /nfs/dbraw/zinc/83/24/44/1020832444.db2.gz IXXRYCSZTKYPNQ-UHFFFAOYSA-N -1 0 307.295 -0.299 20 0 DBADRM Cc1nnc(CNC(=O)COc2ccccc2-c2nn[nH]n2)[nH]1 ZINC001581401132 1020833565 /nfs/dbraw/zinc/83/35/65/1020833565.db2.gz QWUYHENWZCXTJN-UHFFFAOYSA-N -1 0 314.309 -0.012 20 0 DBADRM Cc1nc(NC[C@H](O)CNC(=O)C2CC2)ccc1-c1nn[nH]n1 ZINC001581512704 1020837004 /nfs/dbraw/zinc/83/70/04/1020837004.db2.gz QDZDZCKUKMYBCV-JTQLQIEISA-N -1 0 317.353 -0.131 20 0 DBADRM Cc1nn(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c(=O)n1C ZINC001581603965 1020839217 /nfs/dbraw/zinc/83/92/17/1020839217.db2.gz PZVDYZAGWLTLMO-UHFFFAOYSA-N -1 0 314.309 -0.291 20 0 DBADRM Cc1nn(C)c(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)c1-c1nn[nH]n1 ZINC001581593887 1020839330 /nfs/dbraw/zinc/83/93/30/1020839330.db2.gz YKJXSQJQCBNJLX-SFYZADRCSA-N -1 0 318.341 -0.251 20 0 DBADRM Cc1nn(C)c(N2CCN([C@H]3CCOC3)CC2)c1-c1nn[nH]n1 ZINC001581593417 1020839481 /nfs/dbraw/zinc/83/94/81/1020839481.db2.gz BHVHJNOEIPMUPH-NSHDSACASA-N -1 0 318.385 -0.180 20 0 DBADRM CC(=O)NCCOCCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001510283471 1020839980 /nfs/dbraw/zinc/83/99/80/1020839980.db2.gz CCHULYBOLQDHSG-UHFFFAOYSA-N -1 0 321.337 -0.705 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H](CCO)C2CC2)c(-c2nnn[n-]2)c1=O ZINC001581747508 1020842462 /nfs/dbraw/zinc/84/24/62/1020842462.db2.gz BTWKQUPFVQBBAP-ZETCQYMHSA-N -1 0 307.314 -0.761 20 0 DBADRM Cn1c(=O)[nH]c(NCc2ccc(O)cc2)c(-c2nnn[n-]2)c1=O ZINC001581747238 1020842920 /nfs/dbraw/zinc/84/29/20/1020842920.db2.gz DVXYDWXJWVHCRT-UHFFFAOYSA-N -1 0 315.293 -0.016 20 0 DBADRM Cn1c(=O)[nH]c(NCCc2ccncc2)c(-c2nnn[n-]2)c1=O ZINC001581747227 1020843707 /nfs/dbraw/zinc/84/37/07/1020843707.db2.gz DLOPJSRZGMMDDE-UHFFFAOYSA-N -1 0 314.309 -0.284 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H]2CCn3ccnc32)c(-c2nnn[n-]2)c1=O ZINC001581748160 1020844396 /nfs/dbraw/zinc/84/43/96/1020844396.db2.gz QYULQRPBAJZNDY-LURJTMIESA-N -1 0 315.297 -0.581 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@H](O)C(F)(F)F)c(-c2nnn[n-]2)c1=O ZINC001581747763 1020844510 /nfs/dbraw/zinc/84/45/10/1020844510.db2.gz UDYGTUXTUFFYHF-VKHMYHEASA-N -1 0 321.219 -0.999 20 0 DBADRM Cn1c(=O)[nH]c(NCCC2(C)OCCO2)c(-c2nnn[n-]2)c1=O ZINC001581747651 1020844733 /nfs/dbraw/zinc/84/47/33/1020844733.db2.gz TUFFNEBFXDIJAM-UHFFFAOYSA-N -1 0 323.313 -0.769 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2CCn3ccnc32)c(-c2nnn[n-]2)c1=O ZINC001581748161 1020844741 /nfs/dbraw/zinc/84/47/41/1020844741.db2.gz QYULQRPBAJZNDY-ZCFIWIBFSA-N -1 0 315.297 -0.581 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC(C)(C)C(F)F)n(C)c1=O ZINC001581752952 1020846478 /nfs/dbraw/zinc/84/64/78/1020846478.db2.gz GJPKAYZXCSPNTR-UHFFFAOYSA-N -1 0 315.284 -0.280 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)c2ccns2)c1=O ZINC001581753941 1020846491 /nfs/dbraw/zinc/84/64/91/1020846491.db2.gz ZFMAHLCUPHAXAM-UHFFFAOYSA-N -1 0 319.306 -0.934 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](CN(C)C(=O)CC(N)=O)C2)c1[O-] ZINC001581789207 1020846903 /nfs/dbraw/zinc/84/69/03/1020846903.db2.gz SEBWUBVYUVGDTK-SECBINFHSA-N -1 0 323.353 -0.780 20 0 DBADRM CCC(=O)N(C)C[C@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001510419545 1020847423 /nfs/dbraw/zinc/84/74/23/1020847423.db2.gz OUHQHOPNXBJART-QMMMGPOBSA-N -1 0 311.342 -0.412 20 0 DBADRM NC(=O)CC1(CNC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CC1 ZINC001581889523 1020855062 /nfs/dbraw/zinc/85/50/62/1020855062.db2.gz NFPCOQMRLNEGBU-UHFFFAOYSA-N -1 0 316.321 -0.042 20 0 DBADRM Nc1n[nH]c(C2CCN(c3ccnc(-c4nnn[n-]4)n3)CC2)n1 ZINC001581911290 1020860608 /nfs/dbraw/zinc/86/06/08/1020860608.db2.gz MEWYVBQYSVIORS-UHFFFAOYSA-N -1 0 313.329 -0.259 20 0 DBADRM CC(C)(C)/C=C/C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001581962051 1020863136 /nfs/dbraw/zinc/86/31/36/1020863136.db2.gz UOPYNMHANZDMDK-SNAWJCMRSA-N -1 0 321.337 -0.174 20 0 DBADRM CC(C)(C)/C=C\C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001581962049 1020863708 /nfs/dbraw/zinc/86/37/08/1020863708.db2.gz UOPYNMHANZDMDK-PLNGDYQASA-N -1 0 321.337 -0.174 20 0 DBADRM O=C(CC1CC1)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001581971589 1020865464 /nfs/dbraw/zinc/86/54/64/1020865464.db2.gz LBMHEVUJQWRQLO-UHFFFAOYSA-N -1 0 305.298 -0.955 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)N1C[C@@H](O)[C@H](CO)C1 ZINC001582129167 1020879067 /nfs/dbraw/zinc/87/90/67/1020879067.db2.gz WCJRQWXXMIGSMX-CMPLNLGQSA-N -1 0 319.321 -0.943 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CCOC[C@H]1O ZINC001582128960 1020879376 /nfs/dbraw/zinc/87/93/76/1020879376.db2.gz MMFQUPPBOGHDRF-VXGBXAGGSA-N -1 0 319.321 -0.489 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001510705542 1020879417 /nfs/dbraw/zinc/87/94/17/1020879417.db2.gz YVTPZIXERBJOKY-GJMOJQLCSA-N -1 0 309.326 -0.485 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001510717872 1020880558 /nfs/dbraw/zinc/88/05/58/1020880558.db2.gz ZCLYPQJXHCLSOM-CIUDSAMLSA-N -1 0 311.342 -0.692 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N[C@@H]1CC12CCC2 ZINC001582186748 1020883705 /nfs/dbraw/zinc/88/37/05/1020883705.db2.gz XGVNFHNEBCBESO-MRVPVSSYSA-N -1 0 317.309 -0.812 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)Nc1cccnc1 ZINC001582188786 1020883772 /nfs/dbraw/zinc/88/37/72/1020883772.db2.gz UXXLDANMIJONFM-UHFFFAOYSA-N -1 0 314.265 -0.837 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001582187527 1020884361 /nfs/dbraw/zinc/88/43/61/1020884361.db2.gz FZKFPTMBFYMUDW-LYIWLLOFSA-N -1 0 317.309 -0.956 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCSC[C@H]1C1CC1 ZINC001582198007 1020885015 /nfs/dbraw/zinc/88/50/15/1020885015.db2.gz JDAJRYSALJNGBU-VIFPVBQESA-N -1 0 320.382 -0.188 20 0 DBADRM C/C=C(/C)C(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001582221134 1020886328 /nfs/dbraw/zinc/88/63/28/1020886328.db2.gz BABRHOUFSDIQAK-BAQGIRSFSA-N -1 0 309.326 -0.770 20 0 DBADRM O=C(N[C@H]1CC[C@@H](O)[C@@H](O)C1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001582327641 1020890725 /nfs/dbraw/zinc/89/07/25/1020890725.db2.gz HJNUPGXFLLRMMS-XRNSZHNASA-N -1 0 319.321 -0.424 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)[C@H]1CCNC1=O ZINC001582425290 1020895962 /nfs/dbraw/zinc/89/59/62/1020895962.db2.gz RQMAKDADXKLAGF-IUCAKERBSA-N -1 0 323.353 -0.816 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NC[C@]12C[C@H]1CCC2 ZINC001582528762 1020905697 /nfs/dbraw/zinc/90/56/97/1020905697.db2.gz LVGJBKWPCKSGSN-RNCFNFMXSA-N -1 0 317.357 -0.052 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cnn2c1CCC2 ZINC001582528733 1020906163 /nfs/dbraw/zinc/90/61/63/1020906163.db2.gz KKXPFHMHTQTWHO-UHFFFAOYSA-N -1 0 314.313 -0.969 20 0 DBADRM O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001582601059 1020912156 /nfs/dbraw/zinc/91/21/56/1020912156.db2.gz VDFAWBKNQHKVDT-AOOOYVTPSA-N -1 0 314.353 -0.062 20 0 DBADRM O=C(Nc1c[nH]nc1-c1nnn[n-]1)c1cn2c(n1)COCC2 ZINC001582650406 1020916812 /nfs/dbraw/zinc/91/68/12/1020916812.db2.gz RRJFLDRUVKNSIJ-UHFFFAOYSA-N -1 0 301.270 -0.431 20 0 DBADRM O=C(c1ccc(F)c(-c2nn[nH]n2)c1)N1CC[C@H](O)[C@H](CO)C1 ZINC001582703550 1020918962 /nfs/dbraw/zinc/91/89/62/1020918962.db2.gz GUJFAFCHEDEWML-CABZTGNLSA-N -1 0 321.312 -0.179 20 0 DBADRM O=S(=O)(NC1CC(CCO)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001582792475 1020923154 /nfs/dbraw/zinc/92/31/54/1020923154.db2.gz FOLYHGOVHNBCJK-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1Cn1nnc2ccccc21 ZINC001582806515 1020925078 /nfs/dbraw/zinc/92/50/78/1020925078.db2.gz MUNTVGGUWZHVJY-UHFFFAOYSA-N -1 0 311.265 -0.621 20 0 DBADRM O=S(=O)(NCC[C@@H](O)C1CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001582795371 1020925421 /nfs/dbraw/zinc/92/54/21/1020925421.db2.gz CWOBDKPOLIZDIN-MRVPVSSYSA-N -1 0 313.339 -0.101 20 0 DBADRM O[C@H](CNc1ccnc(-c2nnn[n-]2)n1)COc1ccccc1 ZINC001582810212 1020927254 /nfs/dbraw/zinc/92/72/54/1020927254.db2.gz YAKIYRGJPPBZFR-SNVBAGLBSA-N -1 0 313.321 -0.070 20 0 DBADRM O[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)COc1ccccc1 ZINC001582810211 1020927809 /nfs/dbraw/zinc/92/78/09/1020927809.db2.gz YAKIYRGJPPBZFR-JTQLQIEISA-N -1 0 313.321 -0.070 20 0 DBADRM O=c1cc(CN2CCC[C@H](O)C2)nc2c(-c3nn[nH]n3)c[n-]n21 ZINC001582814367 1020929468 /nfs/dbraw/zinc/92/94/68/1020929468.db2.gz HSKLWGFKWCYTTE-VIFPVBQESA-N -1 0 316.325 -0.428 20 0 DBADRM Cc1sccc1CC(=O)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001510928401 1020950814 /nfs/dbraw/zinc/95/08/14/1020950814.db2.gz CTWURWCZNRNEHS-SNVBAGLBSA-N -1 0 323.378 -0.376 20 0 DBADRM C/C(=C\C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001582989084 1020951849 /nfs/dbraw/zinc/95/18/49/1020951849.db2.gz DFGFOIOQVPVMMD-BWNDKRECSA-N -1 0 322.365 -0.013 20 0 DBADRM C/C(=C\C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001582989083 1020951930 /nfs/dbraw/zinc/95/19/30/1020951930.db2.gz DFGFOIOQVPVMMD-AYLMVEPYSA-N -1 0 322.365 -0.013 20 0 DBADRM CCCOCC(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001582991370 1020954311 /nfs/dbraw/zinc/95/43/11/1020954311.db2.gz TVYPGHOTTKOTKY-VIFPVBQESA-N -1 0 314.342 -0.943 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NC/C=C/CNC(=O)C1CC1 ZINC001583013831 1020962949 /nfs/dbraw/zinc/96/29/49/1020962949.db2.gz VBXCRRZCJQHYDO-OWOJBTEDSA-N -1 0 321.337 -0.586 20 0 DBADRM C/C=C(/C)C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001583194700 1020979704 /nfs/dbraw/zinc/97/97/04/1020979704.db2.gz AXSWWDOJTXDKDU-GOZDTHDVSA-N -1 0 307.310 -0.349 20 0 DBADRM CCNC(=O)CC(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001583218146 1020981103 /nfs/dbraw/zinc/98/11/03/1020981103.db2.gz DAUYNBRJPQXBNG-SNAWJCMRSA-N -1 0 323.353 -0.648 20 0 DBADRM COCCOc1ncccc1CNC(=O)CCc1nnn[n-]1 ZINC001583515805 1020997108 /nfs/dbraw/zinc/99/71/08/1020997108.db2.gz LXPZGSOYYZNJLZ-UHFFFAOYSA-N -1 0 306.326 -0.131 20 0 DBADRM COCCOCCN(CCO)C(=O)c1c[n-]n2c1nccc2=O ZINC001584585672 1021021632 /nfs/dbraw/zinc/02/16/32/1021021632.db2.gz OFTVYZAYYDDSHC-UHFFFAOYSA-N -1 0 324.337 -0.880 20 0 DBADRM CC/C=C(/C)C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001584600293 1021022546 /nfs/dbraw/zinc/02/25/46/1021022546.db2.gz VXFSYYUNCIUWEM-FWAPLPHYSA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2ccccc2OCC(N)=O)C(=O)N1C ZINC001585138323 1021046557 /nfs/dbraw/zinc/04/65/57/1021046557.db2.gz QILBRLXLCNNFSJ-MRVPVSSYSA-N -1 0 320.305 -0.522 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN(C)C(=O)C(F)F)c1[O-] ZINC001511459151 1021050730 /nfs/dbraw/zinc/05/07/30/1021050730.db2.gz YOJWJTMYMUCCNP-LURJTMIESA-N -1 0 306.269 -0.762 20 0 DBADRM O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)c1c[n-]ncc1=O ZINC001586849903 1021080718 /nfs/dbraw/zinc/08/07/18/1021080718.db2.gz VBAQSOAAAJCKKB-UHLUBPPHSA-N -1 0 305.294 -0.710 20 0 DBADRM CN(C(=O)CCn1c2ccccc2n(C)c1=O)c1nnn[n-]1 ZINC001587339518 1021083767 /nfs/dbraw/zinc/08/37/67/1021083767.db2.gz IHYLMQXDYTWHOI-UHFFFAOYSA-N -1 0 301.310 -0.094 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1cn(-c2ccccc2)nn1 ZINC001587949907 1021084184 /nfs/dbraw/zinc/08/41/84/1021084184.db2.gz IZMQNMOOFYFAQL-UHFFFAOYSA-N -1 0 315.293 -0.414 20 0 DBADRM C[C@@]1(CCCC(=O)N2CC[C@H](c3nnn[n-]3)C2)NC(=O)NC1=O ZINC001588217329 1021086849 /nfs/dbraw/zinc/08/68/49/1021086849.db2.gz FETIUDKFYKFIMF-SDBXPKJASA-N -1 0 321.341 -0.716 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001588501547 1021107053 /nfs/dbraw/zinc/10/70/53/1021107053.db2.gz AXOWONDEEPVGAG-VIFPVBQESA-N -1 0 323.309 -0.827 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001588495892 1021107146 /nfs/dbraw/zinc/10/71/46/1021107146.db2.gz YBOYVSVMTYNOGJ-UHFFFAOYSA-N -1 0 312.322 -0.525 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)NCCOCCOCC(=O)[O-] ZINC001588495868 1021107225 /nfs/dbraw/zinc/10/72/25/1021107225.db2.gz WKJHWIRXCOOMMC-GFCCVEGCSA-N -1 0 316.354 -0.379 20 0 DBADRM CC(=O)N1CCC(NC(=O)COC(=O)C(C)(C)C(=O)[O-])CC1 ZINC001588494697 1021107333 /nfs/dbraw/zinc/10/73/33/1021107333.db2.gz OVVDZJHILDJDQE-UHFFFAOYSA-N -1 0 314.338 -0.233 20 0 DBADRM CC(=O)N1CC[C@H](CN(C)C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001588494354 1021107620 /nfs/dbraw/zinc/10/76/20/1021107620.db2.gz JOGLHAQRYLKWJF-SNVBAGLBSA-N -1 0 309.326 -0.697 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001588565650 1021117987 /nfs/dbraw/zinc/11/79/87/1021117987.db2.gz MZOHEMVNAGBDOX-ZJUUUORDSA-N -1 0 304.368 -0.266 20 0 DBADRM CC(=O)NCCN(C(=O)CNCC(F)(F)F)[C@H](C)C(=O)[O-] ZINC001588507555 1021108341 /nfs/dbraw/zinc/10/83/41/1021108341.db2.gz JLJUYELHECQJFH-SSDOTTSWSA-N -1 0 313.276 -0.424 20 0 DBADRM CC(=O)NCCN(C(=O)c1cc2n(n1)CCC2)[C@@H](C)C(=O)[O-] ZINC001588508184 1021108616 /nfs/dbraw/zinc/10/86/16/1021108616.db2.gz DMDXNNPJOVEXGL-VIFPVBQESA-N -1 0 308.338 -0.119 20 0 DBADRM CC(=O)NCCCCCN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001588502713 1021108883 /nfs/dbraw/zinc/10/88/83/1021108883.db2.gz XISCDVYRRVMYID-NSHDSACASA-N -1 0 306.384 -0.524 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001588502366 1021108976 /nfs/dbraw/zinc/10/89/76/1021108976.db2.gz QKGBQFSNVNSGIY-GHMZBOCLSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1ccn(C)n1)[C@@H](C)C(=O)[O-] ZINC001588506839 1021108996 /nfs/dbraw/zinc/10/89/96/1021108996.db2.gz SPWDHSADXWZHTI-JTQLQIEISA-N -1 0 310.354 -0.210 20 0 DBADRM CC(=O)NCCN(C(=O)Cn1cc(C2CC2)nn1)[C@@H](C)C(=O)[O-] ZINC001588507424 1021109168 /nfs/dbraw/zinc/10/91/68/1021109168.db2.gz DNIZIRYJHRJOLI-VIFPVBQESA-N -1 0 323.353 -0.407 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1nccn1C)[C@H](C)C(=O)[O-] ZINC001588506369 1021109348 /nfs/dbraw/zinc/10/93/48/1021109348.db2.gz GELHQALSRRLLCM-SNVBAGLBSA-N -1 0 310.354 -0.210 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001588513342 1021110625 /nfs/dbraw/zinc/11/06/25/1021110625.db2.gz LJSWTHPTCJMICZ-LLVKDONJSA-N -1 0 313.354 -0.802 20 0 DBADRM C=C/C=C\CCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001588530834 1021112496 /nfs/dbraw/zinc/11/24/96/1021112496.db2.gz UQSOMFGVSDDAAO-WAYWQWQTSA-N -1 0 303.326 -0.192 20 0 DBADRM CC(=O)c1cn(CC(=O)N[C@H](C(=O)[O-])c2ccnn2C)nn1 ZINC001588534234 1021112837 /nfs/dbraw/zinc/11/28/37/1021112837.db2.gz SCVKIMKAYVZGPD-NSHDSACASA-N -1 0 306.282 -0.844 20 0 DBADRM C=C/C=C/CCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001588530240 1021113342 /nfs/dbraw/zinc/11/33/42/1021113342.db2.gz JECOXEFNOBNFGR-ONEGZZNKSA-N -1 0 303.330 -0.110 20 0 DBADRM C[C@@H](C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)N1CCSCC1 ZINC001588550918 1021115367 /nfs/dbraw/zinc/11/53/67/1021115367.db2.gz HJCBPBZMVCEYNN-MJVIPROJSA-N -1 0 314.407 -0.017 20 0 DBADRM C[C@@H](C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[C@H](C)S(C)(=O)=O ZINC001588551007 1021115783 /nfs/dbraw/zinc/11/57/83/1021115783.db2.gz MNCNJUKOOXPJOG-QYTUQVAYSA-N -1 0 319.379 -0.385 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)O[C@@H]1C[C@@H]2C(=O)NCc3cccnc3N2C1 ZINC001588583953 1021117246 /nfs/dbraw/zinc/11/72/46/1021117246.db2.gz WJTKPOKYOFDYOI-FBIMIBRVSA-N -1 0 319.317 -0.077 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001588576224 1021117432 /nfs/dbraw/zinc/11/74/32/1021117432.db2.gz PGNQHMIZMIJVOK-DJLDLDEBSA-N -1 0 302.327 -0.197 20 0 DBADRM C[C@@H](C(=O)[O-])N(C1CC1)S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001588592963 1021119360 /nfs/dbraw/zinc/11/93/60/1021119360.db2.gz RIPQCTAVZQYZJU-LURJTMIESA-N -1 0 317.323 -0.888 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)CC[C@H]2NC(=O)NC2=O)cn1 ZINC001588617654 1021120318 /nfs/dbraw/zinc/12/03/18/1021120318.db2.gz ZBUNYWVTPHIECL-MRVPVSSYSA-N -1 0 323.309 -0.371 20 0 DBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CCS(=O)(=O)CC(=O)[O-] ZINC001588606967 1021120557 /nfs/dbraw/zinc/12/05/57/1021120557.db2.gz OYOIGMARCBNWBK-IUCAKERBSA-N -1 0 315.413 -0.761 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NN2CC(=O)NC2=O)n1 ZINC001588625818 1021121363 /nfs/dbraw/zinc/12/13/63/1021121363.db2.gz JGHQSUWKVWCDAP-UHFFFAOYSA-N -1 0 310.270 -0.709 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001588631497 1021121715 /nfs/dbraw/zinc/12/17/15/1021121715.db2.gz LOPMWCSDFAJKDZ-MRVPVSSYSA-N -1 0 311.338 -0.066 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NCCOCCO)n1 ZINC001588626012 1021121851 /nfs/dbraw/zinc/12/18/51/1021121851.db2.gz MBVVSZBHQSCFSO-UHFFFAOYSA-N -1 0 300.315 -0.167 20 0 DBADRM CC(C)(C)[C@]1(C)NC(=O)N(CCS(=O)(=O)CC(=O)[O-])C1=O ZINC001588638083 1021121867 /nfs/dbraw/zinc/12/18/67/1021121867.db2.gz AZBYQTBBNYLGQI-GFCCVEGCSA-N -1 0 320.367 -0.158 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001588631498 1021121956 /nfs/dbraw/zinc/12/19/56/1021121956.db2.gz LOPMWCSDFAJKDZ-QMMMGPOBSA-N -1 0 311.338 -0.066 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NS(=O)(=O)N2CCOCC2)n1 ZINC001588624900 1021122232 /nfs/dbraw/zinc/12/22/32/1021122232.db2.gz ALHFLSOSDMCABF-UHFFFAOYSA-N -1 0 318.355 -0.308 20 0 DBADRM CC(C)(C)[C@@H](O)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588638830 1021122270 /nfs/dbraw/zinc/12/22/70/1021122270.db2.gz JSYQVYIRWCFHCV-ONGXEEELSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N(CCO)CCCO)n1 ZINC001588621235 1021122344 /nfs/dbraw/zinc/12/23/44/1021122344.db2.gz BTFPIPIBJKOQKE-UHFFFAOYSA-N -1 0 314.342 -0.089 20 0 DBADRM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001588640516 1021122352 /nfs/dbraw/zinc/12/23/52/1021122352.db2.gz YDQKIRONXXDZID-RBZYPMLTSA-N -1 0 303.355 -0.106 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCCOCCS(N)(=O)=O ZINC001588635173 1021122428 /nfs/dbraw/zinc/12/24/28/1021122428.db2.gz UGISZWCBFSYDAA-QMMMGPOBSA-N -1 0 310.372 -0.845 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NCCS(C)(=O)=O)n1 ZINC001588626087 1021122501 /nfs/dbraw/zinc/12/25/01/1021122501.db2.gz NGRUIIBUBWJOOK-UHFFFAOYSA-N -1 0 318.355 -0.131 20 0 DBADRM C=CC(=O)Nc1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001588656192 1021122914 /nfs/dbraw/zinc/12/29/14/1021122914.db2.gz QBNCJPPLWIPRJU-UHFFFAOYSA-N -1 0 305.290 -0.258 20 0 DBADRM C=CC(=O)N(C)CC(=O)NCc1c(C)nn(CC(=O)[O-])c1C ZINC001588654460 1021123197 /nfs/dbraw/zinc/12/31/97/1021123197.db2.gz HDEGQHQGCFEUES-UHFFFAOYSA-N -1 0 308.338 -0.155 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001588651275 1021123722 /nfs/dbraw/zinc/12/37/22/1021123722.db2.gz FEHVDODRXIPURW-VHSXEESVSA-N -1 0 312.322 -0.504 20 0 DBADRM CC(C)(C)NC(=O)N1CCN(C(=O)COCC(=O)[O-])CC1 ZINC001588661183 1021123806 /nfs/dbraw/zinc/12/38/06/1021123806.db2.gz OZCDXFRSNKLZLF-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM C=CC(=O)NCCC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001588656493 1021124013 /nfs/dbraw/zinc/12/40/13/1021124013.db2.gz PZWWWHJFTDAEQD-JTQLQIEISA-N -1 0 321.337 -0.168 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001588655423 1021124360 /nfs/dbraw/zinc/12/43/60/1021124360.db2.gz XIXFYIHYWFIIRI-UHFFFAOYSA-N -1 0 321.337 -0.216 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001588651547 1021124835 /nfs/dbraw/zinc/12/48/35/1021124835.db2.gz PJJBRZSDZAWRAF-NXEZZACHSA-N -1 0 312.322 -0.504 20 0 DBADRM C=CC(=O)NCCC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001588656495 1021125020 /nfs/dbraw/zinc/12/50/20/1021125020.db2.gz PZWWWHJFTDAEQD-SNVBAGLBSA-N -1 0 321.337 -0.168 20 0 DBADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)C(=O)[O-])CCO2 ZINC001588676018 1021127105 /nfs/dbraw/zinc/12/71/05/1021127105.db2.gz DTDJZFUKKKPQMM-UHFFFAOYSA-N -1 0 300.311 -0.081 20 0 DBADRM C=C/C=C\CC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001588719958 1021127655 /nfs/dbraw/zinc/12/76/55/1021127655.db2.gz IEVCIMZMRLRKBS-CMIOBCHKSA-N -1 0 307.306 -0.275 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(N)=O ZINC001588738272 1021127944 /nfs/dbraw/zinc/12/79/44/1021127944.db2.gz IFJVHXRCHXBZTK-PSASIEDQSA-N -1 0 313.354 -0.674 20 0 DBADRM CC(C)(CCNC(=O)N1CCC(S(N)(=O)=O)CC1)C(=O)[O-] ZINC001588774650 1021130301 /nfs/dbraw/zinc/13/03/01/1021130301.db2.gz YTPDDKIVXRBFQP-UHFFFAOYSA-N -1 0 321.399 -0.050 20 0 DBADRM CC(C)(CCNC(=O)NC1CC(NS(C)(=O)=O)C1)C(=O)[O-] ZINC001588773957 1021130879 /nfs/dbraw/zinc/13/08/79/1021130879.db2.gz KXSPMQPYMSYXMU-UHFFFAOYSA-N -1 0 321.399 -0.133 20 0 DBADRM CC(C)C(=O)NCCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001588799338 1021132315 /nfs/dbraw/zinc/13/23/15/1021132315.db2.gz DOSDGJYOFFCIBV-SNVBAGLBSA-N -1 0 313.354 -0.802 20 0 DBADRM CC(C)C(=O)NC1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001588799248 1021132320 /nfs/dbraw/zinc/13/23/20/1021132320.db2.gz QRHZJSMWOVEEDO-UHFFFAOYSA-N -1 0 320.411 -0.278 20 0 DBADRM CC(C)(NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1)C(=O)[O-] ZINC001588785731 1021132751 /nfs/dbraw/zinc/13/27/51/1021132751.db2.gz ILKQOYNQZASJNN-VHSXEESVSA-N -1 0 307.306 -0.063 20 0 DBADRM CC(C)(NC(=O)c1ccc2c(c1)NC(=O)CNC2=O)C(=O)[O-] ZINC001588790297 1021133159 /nfs/dbraw/zinc/13/31/59/1021133159.db2.gz AFHPEKGYQQJJLV-UHFFFAOYSA-N -1 0 305.290 -0.039 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001588799593 1021133283 /nfs/dbraw/zinc/13/32/83/1021133283.db2.gz SSWONQXQUOKSCL-QWRGUYRKSA-N -1 0 300.355 -0.263 20 0 DBADRM CC(C)[C@@H](C)NC(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001588815113 1021134998 /nfs/dbraw/zinc/13/49/98/1021134998.db2.gz CXNVPKNZFVQQDX-NXEZZACHSA-N -1 0 306.384 -0.669 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1 ZINC001588808876 1021135182 /nfs/dbraw/zinc/13/51/82/1021135182.db2.gz ZTHXTBKBGHQHEU-AEJSXWLSSA-N -1 0 306.384 -0.083 20 0 DBADRM CC(C)[C@@](C)(O)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588813534 1021135262 /nfs/dbraw/zinc/13/52/62/1021135262.db2.gz XUEHOWOPMNSHTJ-QMTHXVAHSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC001588805398 1021135763 /nfs/dbraw/zinc/13/57/63/1021135763.db2.gz WKKDXDOHHGMSHX-FZNYLWTLSA-N -1 0 311.338 -0.162 20 0 DBADRM CC(=O)N1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001588806790 1021135790 /nfs/dbraw/zinc/13/57/90/1021135790.db2.gz GZRCXHUGEYCMHB-SECBINFHSA-N -1 0 302.342 -0.253 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H]1CO)C(=O)[O-] ZINC001588815437 1021136252 /nfs/dbraw/zinc/13/62/52/1021136252.db2.gz PTURILCIPNBHTE-OUAUKWLOSA-N -1 0 300.355 -0.311 20 0 DBADRM CC(C)[C@@H](CNC(=O)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC001588820964 1021137578 /nfs/dbraw/zinc/13/75/78/1021137578.db2.gz KMJXGGOTNQVZPB-SNVBAGLBSA-N -1 0 306.384 -0.115 20 0 DBADRM CC(C)C[C@@H](CNC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC001588847045 1021141412 /nfs/dbraw/zinc/14/14/12/1021141412.db2.gz XOFZQSLPNBKIAU-JTQLQIEISA-N -1 0 321.337 -0.246 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NCCCC(=O)[O-] ZINC001588844322 1021141504 /nfs/dbraw/zinc/14/15/04/1021141504.db2.gz ZHXJNTSFOLALRE-SECBINFHSA-N -1 0 301.343 -0.626 20 0 DBADRM CC(C)C[C@H](CNC(=O)N1CC2(C1)NC(=O)NC2=O)C(=O)[O-] ZINC001588846796 1021142129 /nfs/dbraw/zinc/14/21/29/1021142129.db2.gz JGPGAURQTDLLFT-MRVPVSSYSA-N -1 0 312.326 -0.663 20 0 DBADRM CC(C)C[C@@H](CNC(=O)NC[C@@H](O)CS(C)(=O)=O)C(=O)[O-] ZINC001588852812 1021143660 /nfs/dbraw/zinc/14/36/60/1021143660.db2.gz PXOXDARQSGUGKW-VHSXEESVSA-N -1 0 324.399 -0.562 20 0 DBADRM CC(C)N(C[C@H](O)CO)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001588918910 1021150531 /nfs/dbraw/zinc/15/05/31/1021150531.db2.gz KEDPICPDIKTWDX-VIFPVBQESA-N -1 0 300.315 -0.437 20 0 DBADRM CC(C)N1C[C@H](NC(=O)C(=O)NCCCCC(=O)[O-])CC1=O ZINC001588921934 1021150880 /nfs/dbraw/zinc/15/08/80/1021150880.db2.gz SBEWBPUEFKDPHY-SNVBAGLBSA-N -1 0 313.354 -0.517 20 0 DBADRM CC(C)OC[C@H](CO)N(C)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001588933231 1021152329 /nfs/dbraw/zinc/15/23/29/1021152329.db2.gz IJRMSVMKAHCKOQ-VIFPVBQESA-N -1 0 300.315 -0.779 20 0 DBADRM CC(C)N1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)CC1=O ZINC001588923152 1021152440 /nfs/dbraw/zinc/15/24/40/1021152440.db2.gz GRYFRMXAHFFBPN-UHFFFAOYSA-N -1 0 321.333 -0.374 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001588927661 1021152906 /nfs/dbraw/zinc/15/29/06/1021152906.db2.gz BAOUOIYLFOHXHE-UHFFFAOYSA-N -1 0 314.338 -0.233 20 0 DBADRM CC(C)NC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001588927770 1021153593 /nfs/dbraw/zinc/15/35/93/1021153593.db2.gz GBEGBMOPMNGLFU-GXSJLCMTSA-N -1 0 311.338 -0.021 20 0 DBADRM CC(C)OC[C@@H](CO)N(C)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001588933230 1021153989 /nfs/dbraw/zinc/15/39/89/1021153989.db2.gz IJRMSVMKAHCKOQ-SECBINFHSA-N -1 0 300.315 -0.779 20 0 DBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)C(=O)[O-])c1 ZINC001588927220 1021154801 /nfs/dbraw/zinc/15/48/01/1021154801.db2.gz FBYULYZNPWTOTD-UHFFFAOYSA-N -1 0 318.307 -0.488 20 0 DBADRM CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001588927981 1021155022 /nfs/dbraw/zinc/15/50/22/1021155022.db2.gz OFYWZKJQPJVPSW-JTQLQIEISA-N -1 0 323.353 -0.261 20 0 DBADRM CC(C)[C@@H](NC(=O)CNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC001588945427 1021155749 /nfs/dbraw/zinc/15/57/49/1021155749.db2.gz RTXZAIJVBWNVTM-LLVKDONJSA-N -1 0 315.351 -0.415 20 0 DBADRM C[C@H](C(=O)N(C)C[C@@H]1CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588940472 1021156233 /nfs/dbraw/zinc/15/62/33/1021156233.db2.gz PVHVVUWCAWBZNT-BDAKNGLRSA-N -1 0 306.330 -0.486 20 0 DBADRM C/C(=C/C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-])C1CC1 ZINC001588940084 1021157393 /nfs/dbraw/zinc/15/73/93/1021157393.db2.gz XQIRCRQXUAKHLW-GEUQGSAWSA-N -1 0 321.333 -0.051 20 0 DBADRM C[C@H](C(=O)N1CCC(C)(O)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588948200 1021157839 /nfs/dbraw/zinc/15/78/39/1021157839.db2.gz GPHYYOSCOBEKMV-MRVPVSSYSA-N -1 0 306.330 -0.607 20 0 DBADRM C[C@@H](C(=O)N(C)CC1(CO)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588939948 1021158012 /nfs/dbraw/zinc/15/80/12/1021158012.db2.gz JRWCHJIWFGDPHV-QMMMGPOBSA-N -1 0 306.330 -0.750 20 0 DBADRM C/C(=C/C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])CN1CCOCC1 ZINC001588938955 1021159978 /nfs/dbraw/zinc/15/99/78/1021159978.db2.gz OCTYKPZXHACMQX-DSDFTUOUSA-N -1 0 323.353 -0.874 20 0 DBADRM C/C(=C\CN1CCN(S(=O)(=O)NC(C)C)CC1)C(=O)[O-] ZINC001588961275 1021164321 /nfs/dbraw/zinc/16/43/21/1021164321.db2.gz NYLNCRATPXMGPV-NYYWCZLTSA-N -1 0 305.400 -0.122 20 0 DBADRM CCC(=O)NC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@@H]1C ZINC001512174754 1021164851 /nfs/dbraw/zinc/16/48/51/1021164851.db2.gz ULLCEZYIUXNLME-IUCAKERBSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@@H](C(=O)N1CCCC[C@@H]1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001588957046 1021165096 /nfs/dbraw/zinc/16/50/96/1021165096.db2.gz PHXMGZOPCDBSME-DTWKUNHWSA-N -1 0 306.330 -0.607 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H](CO)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588954900 1021165200 /nfs/dbraw/zinc/16/52/00/1021165200.db2.gz QODXKVJYTSHKED-DTWKUNHWSA-N -1 0 306.330 -0.750 20 0 DBADRM CCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@H]1C ZINC001512174757 1021165649 /nfs/dbraw/zinc/16/56/49/1021165649.db2.gz ULLCEZYIUXNLME-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@H](C(=O)N[C@H](CO)C(C)(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588970933 1021166983 /nfs/dbraw/zinc/16/69/83/1021166983.db2.gz RBWDKXVNMPZWOZ-HTQZYQBOSA-N -1 0 308.346 -0.458 20 0 DBADRM C[C@@H](C(=O)N[C@H](CO)C(C)(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588970934 1021167251 /nfs/dbraw/zinc/16/72/51/1021167251.db2.gz RBWDKXVNMPZWOZ-JGVFFNPUSA-N -1 0 308.346 -0.458 20 0 DBADRM C/C(=C\CNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001588964464 1021167575 /nfs/dbraw/zinc/16/75/75/1021167575.db2.gz IOWCYTHOURVXQS-OTVCUZDGSA-N -1 0 306.322 -0.080 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588977082 1021167876 /nfs/dbraw/zinc/16/78/76/1021167876.db2.gz COECGICEUXCCCB-RKDXNWHRSA-N -1 0 317.357 -0.628 20 0 DBADRM C[C@@H](C(=O)NC1(CO)CCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588970613 1021168741 /nfs/dbraw/zinc/16/87/41/1021168741.db2.gz LNYUPPKYTFTOCB-QMMMGPOBSA-N -1 0 306.330 -0.560 20 0 DBADRM C[C@H](C[C@@H](C)NC(=O)C1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001512195358 1021168601 /nfs/dbraw/zinc/16/86/01/1021168601.db2.gz JLQCPKUPRPKIOM-HTQZYQBOSA-N -1 0 311.342 -0.501 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCCOCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588974038 1021169368 /nfs/dbraw/zinc/16/93/68/1021169368.db2.gz XAOSBYURNJKRDJ-IUCAKERBSA-N -1 0 306.330 -0.296 20 0 DBADRM CC(C)c1nc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c[nH]1 ZINC001588975491 1021169606 /nfs/dbraw/zinc/16/96/06/1021169606.db2.gz YZQPGLWLGAKUMM-VIFPVBQESA-N -1 0 315.351 -0.143 20 0 DBADRM CC(C)c1nnc(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)[nH]1 ZINC001588976586 1021171366 /nfs/dbraw/zinc/17/13/66/1021171366.db2.gz IQQUWEZJEJAJKN-SECBINFHSA-N -1 0 323.353 -0.133 20 0 DBADRM C[C@@H](CC(=O)N(CCC(=O)[O-])C1CCOCC1)NC(N)=O ZINC001588989778 1021173404 /nfs/dbraw/zinc/17/34/04/1021173404.db2.gz ZELANLMUYHAHOT-VIFPVBQESA-N -1 0 301.343 -0.084 20 0 DBADRM C[C@@H](C(=O)NCC1([S@](C)=O)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588983738 1021173686 /nfs/dbraw/zinc/17/36/86/1021173686.db2.gz JPVSCVIYIJABQB-QNLYAUKNSA-N -1 0 324.370 -0.954 20 0 DBADRM C[C@H](C(=O)NCC1CCC(O)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588983532 1021174169 /nfs/dbraw/zinc/17/41/69/1021174169.db2.gz LKPZDLHLKICJFS-XNWIYYODSA-N -1 0 320.357 -0.314 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001588983295 1021174568 /nfs/dbraw/zinc/17/45/68/1021174568.db2.gz HCARITPDUQJNKC-DTWKUNHWSA-N -1 0 306.330 -0.296 20 0 DBADRM C[C@@H](C(=O)NCCCOCC1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588991256 1021175323 /nfs/dbraw/zinc/17/53/23/1021175323.db2.gz CKNHRZJUANMDRB-VIFPVBQESA-N -1 0 320.357 -0.048 20 0 DBADRM C[C@H](CC(=O)N(CCC(=O)[O-])C1CCOCC1)NC(N)=O ZINC001588989777 1021176705 /nfs/dbraw/zinc/17/67/05/1021176705.db2.gz ZELANLMUYHAHOT-SECBINFHSA-N -1 0 301.343 -0.084 20 0 DBADRM C[C@H](C(=O)NCCc1cncn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001588996448 1021178714 /nfs/dbraw/zinc/17/87/14/1021178714.db2.gz TVTJOMHNDDGBFM-MRVPVSSYSA-N -1 0 316.329 -0.888 20 0 DBADRM C[C@H](C(=O)NCc1cccnn1)n1cnc(-c2nnn[n-]2)n1 ZINC001589000320 1021178974 /nfs/dbraw/zinc/17/89/74/1021178974.db2.gz YJJXLLHICUHIDP-SSDOTTSWSA-N -1 0 300.286 -0.874 20 0 DBADRM C[C@H](C(=O)NCCc1cnoc1)n1cnc(-c2nnn[n-]2)n1 ZINC001588996314 1021180029 /nfs/dbraw/zinc/18/00/29/1021180029.db2.gz QANGILYYHRRZLM-SSDOTTSWSA-N -1 0 303.286 -0.634 20 0 DBADRM C[C@@H](C(=O)Nc1ccncc1F)n1cnc(-c2nnn[n-]2)n1 ZINC001589022166 1021181379 /nfs/dbraw/zinc/18/13/79/1021181379.db2.gz VDODCZRCAISNSL-LURJTMIESA-N -1 0 303.261 -0.386 20 0 DBADRM C[C@@H](C(=O)Nc1cnccc1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001589022201 1021181628 /nfs/dbraw/zinc/18/16/28/1021181628.db2.gz WPDCCBJPLVVOAW-ZETCQYMHSA-N -1 0 315.297 -0.455 20 0 DBADRM C[C@H](C(=O)N[C@H]1CC[C@H](CO)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001589008840 1021181866 /nfs/dbraw/zinc/18/18/66/1021181866.db2.gz BDNLYXDWCZVUCU-OPRDCNLKSA-N -1 0 320.357 -0.314 20 0 DBADRM C[C@H](C(=O)O[C@H]1CCN(CCF)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001589028786 1021181972 /nfs/dbraw/zinc/18/19/72/1021181972.db2.gz YQLHUYZAXWQPQN-BDAKNGLRSA-N -1 0 324.320 -0.394 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001589105522 1021196204 /nfs/dbraw/zinc/19/62/04/1021196204.db2.gz LVLARTDBVPVNGP-SECBINFHSA-N -1 0 302.327 -0.376 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCC[C@@H]1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001589005165 1021183861 /nfs/dbraw/zinc/18/38/61/1021183861.db2.gz CDCVJOUCSDATIK-DJLDLDEBSA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@H](C(=O)Nc1cccn(C)c1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001589020209 1021184894 /nfs/dbraw/zinc/18/48/94/1021184894.db2.gz DYNJCQQMWVXMTH-SSDOTTSWSA-N -1 0 315.297 -0.643 20 0 DBADRM C[C@H](C(=O)O[C@H]1CCCN(C)C1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001589027870 1021184927 /nfs/dbraw/zinc/18/49/27/1021184927.db2.gz QEXSIABFSKFOKE-SFYZADRCSA-N -1 0 320.313 -0.817 20 0 DBADRM CC(=O)N(C)Cc1cn([C@@H]2CCCN(CCC(=O)[O-])C2=O)nn1 ZINC001589042383 1021186136 /nfs/dbraw/zinc/18/61/36/1021186136.db2.gz XJFAWHBRVDIHDC-GFCCVEGCSA-N -1 0 323.353 -0.105 20 0 DBADRM CC(=O)N1CC(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)C1 ZINC001589056508 1021186346 /nfs/dbraw/zinc/18/63/46/1021186346.db2.gz IHQBXEZMYCTXDN-LLVKDONJSA-N -1 0 312.322 -0.526 20 0 DBADRM C[C@@H](C(=O)OC[C@H]1[C@@H]2COC[C@H]12)n1cnc(-c2nnn[n-]2)n1 ZINC001589031164 1021186620 /nfs/dbraw/zinc/18/66/20/1021186620.db2.gz UDYBRVJWDCYWRZ-RBXMUDONSA-N -1 0 305.298 -0.545 20 0 DBADRM CC(=O)N[C@@H](CSC[C@H](O)COC1CCOCC1)C(=O)[O-] ZINC001589156702 1021204109 /nfs/dbraw/zinc/20/41/09/1021204109.db2.gz AOOIRERKONETIF-PWSUYJOCSA-N -1 0 321.395 -0.135 20 0 DBADRM C[C@@H](C(=O)OCc1cnn(C)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001589033483 1021188597 /nfs/dbraw/zinc/18/85/97/1021188597.db2.gz XNOXSYHFUUMYSB-ZETCQYMHSA-N -1 0 303.286 -0.504 20 0 DBADRM CC(=O)N1CCC[C@H](CN2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)C1 ZINC001589070207 1021190292 /nfs/dbraw/zinc/19/02/92/1021190292.db2.gz KVYRLRAYEHHZEC-IRCOFANPSA-N -1 0 323.349 -0.114 20 0 DBADRM CC(=O)N1CC[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001589087688 1021190744 /nfs/dbraw/zinc/19/07/44/1021190744.db2.gz KYUWSUBMGLEQBQ-MRVPVSSYSA-N -1 0 301.324 -0.388 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001589074955 1021191053 /nfs/dbraw/zinc/19/10/53/1021191053.db2.gz FXTLQZWCFHDZCW-MNOVXSKESA-N -1 0 311.338 -0.811 20 0 DBADRM CC(=O)N1CCC[C@H](CNC(=O)NCCOCC(=O)[O-])C1 ZINC001589070967 1021191330 /nfs/dbraw/zinc/19/13/30/1021191330.db2.gz QRUAWRFJOONIPE-LLVKDONJSA-N -1 0 301.343 -0.355 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)C(C)(C)CC(=O)[O-])CC1 ZINC001589080022 1021191485 /nfs/dbraw/zinc/19/14/85/1021191485.db2.gz ORHRYBJEJYKXIE-UHFFFAOYSA-N -1 0 314.338 -0.279 20 0 DBADRM CC(=O)N1CCO[C@H](C(=O)N(CC(=O)[O-])C2CCOCC2)C1 ZINC001589087115 1021193328 /nfs/dbraw/zinc/19/33/28/1021193328.db2.gz MXSWYNKNBRXPIS-LBPRGKRZSA-N -1 0 314.338 -0.674 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001589093516 1021193986 /nfs/dbraw/zinc/19/39/86/1021193986.db2.gz CGDCNVDKJPTLOX-KXUCPTDWSA-N -1 0 302.352 -0.798 20 0 DBADRM CC(=O)N[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001589120906 1021194855 /nfs/dbraw/zinc/19/48/55/1021194855.db2.gz DGRQOGAEYLYPKY-ZETCQYMHSA-N -1 0 302.312 -0.993 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)Cn2nc(C(=O)[O-])ccc2=O)C1 ZINC001589119254 1021195416 /nfs/dbraw/zinc/19/54/16/1021195416.db2.gz ADNMJURFBXUDMY-SNVBAGLBSA-N -1 0 322.321 -0.931 20 0 DBADRM CC(=O)N[C@H](CC(=O)NCC(=O)NCC(=O)[O-])c1ccccc1 ZINC001589111536 1021196278 /nfs/dbraw/zinc/19/62/78/1021196278.db2.gz VGASRTAMUUAJLU-GFCCVEGCSA-N -1 0 321.333 -0.429 20 0 DBADRM CC(=O)N1CC[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001589087953 1021196560 /nfs/dbraw/zinc/19/65/60/1021196560.db2.gz ZHHOBKHUQAMHTR-SNVBAGLBSA-N -1 0 304.368 -0.219 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001589093752 1021196780 /nfs/dbraw/zinc/19/67/80/1021196780.db2.gz LTLNNOIGWJOTDG-OPRDCNLKSA-N -1 0 302.352 -0.486 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001589093667 1021196823 /nfs/dbraw/zinc/19/68/23/1021196823.db2.gz HQWBFJKMTDUUOC-HGNGGELXSA-N -1 0 302.352 -0.392 20 0 DBADRM CC(=O)N[C@@](C)(C(=O)N1CCC(O)(C(=O)[O-])CC1)C(C)C ZINC001589104306 1021197021 /nfs/dbraw/zinc/19/70/21/1021197021.db2.gz OYGPQVGZDDGZSR-CYBMUJFWSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CCO1 ZINC001589133621 1021198474 /nfs/dbraw/zinc/19/84/74/1021198474.db2.gz YNYPISIRGJLEOP-RYUDHWBXSA-N -1 0 311.338 -0.294 20 0 DBADRM CC(=O)NCCN(C)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001589138092 1021200862 /nfs/dbraw/zinc/20/08/62/1021200862.db2.gz ZHRCAWHTQNVAMH-UHFFFAOYSA-N -1 0 303.340 -0.520 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)CCC(=O)NC1CCCC1)C(=O)[O-] ZINC001589155556 1021202580 /nfs/dbraw/zinc/20/25/80/1021202580.db2.gz IOAIPGKDODJROW-MQJDWESPSA-N -1 0 318.395 -0.227 20 0 DBADRM CC(=O)Nc1ccc(NC(=O)C(=O)NCCOCC(=O)[O-])cc1 ZINC001589195443 1021202917 /nfs/dbraw/zinc/20/29/17/1021202917.db2.gz XAQIXPMWBPEUMN-UHFFFAOYSA-N -1 0 323.305 -0.199 20 0 DBADRM CC(=O)OCCCS(=O)(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001589229497 1021203092 /nfs/dbraw/zinc/20/30/92/1021203092.db2.gz USHZTDUQWGVKDN-QWRGUYRKSA-N -1 0 323.367 -0.404 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001589229404 1021203111 /nfs/dbraw/zinc/20/31/11/1021203111.db2.gz RUZOSWUSAQLQAD-NXEZZACHSA-N -1 0 309.340 -0.821 20 0 DBADRM CC(=O)Nc1ccc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])nc1 ZINC001589186637 1021203740 /nfs/dbraw/zinc/20/37/40/1021203740.db2.gz ZZBRPNQVPOLZIM-LLVKDONJSA-N -1 0 318.293 -0.485 20 0 DBADRM CC(=O)c1cn(C2CN(S(=O)(=O)CCCC(=O)[O-])C2)nn1 ZINC001589316676 1021207734 /nfs/dbraw/zinc/20/77/34/1021207734.db2.gz XDGBSIIICNVHOS-UHFFFAOYSA-N -1 0 316.339 -0.468 20 0 DBADRM CC(=O)c1cn(CC(=O)N[C@@]2(CC(=O)[O-])CCCOC2)nn1 ZINC001589318573 1021208604 /nfs/dbraw/zinc/20/86/04/1021208604.db2.gz JOARXTJEMXILBI-CYBMUJFWSA-N -1 0 310.310 -0.379 20 0 DBADRM C[C@H](C(=O)N(C)[C@H](COC1CCC1)C(=O)[O-])S(C)(=O)=O ZINC001589338057 1021213247 /nfs/dbraw/zinc/21/32/47/1021213247.db2.gz YTHSBEIGDNTQTG-PSASIEDQSA-N -1 0 307.368 -0.100 20 0 DBADRM C[C@@H](C(=O)N(C)CCNc1ncc(C(=O)[O-])cn1)n1cncn1 ZINC001589339957 1021215326 /nfs/dbraw/zinc/21/53/26/1021215326.db2.gz OWHILRMYUJNKTI-VIFPVBQESA-N -1 0 319.325 -0.102 20 0 DBADRM C[C@H](C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)N1CCSCC1 ZINC001589346947 1021215808 /nfs/dbraw/zinc/21/58/08/1021215808.db2.gz YZJPDIFCPUGODS-OUAUKWLOSA-N -1 0 302.396 -0.282 20 0 DBADRM C[C@@H](C(=O)N1CC[C@H]1C(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC001589357005 1021219133 /nfs/dbraw/zinc/21/91/33/1021219133.db2.gz UMFHPFZSNSWHBO-IUCAKERBSA-N -1 0 309.322 -0.075 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCn2cnnc2C1 ZINC001589353681 1021223943 /nfs/dbraw/zinc/22/39/43/1021223943.db2.gz YMGBTHGROGTAQQ-JTQLQIEISA-N -1 0 307.354 -0.195 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-])N1CCSCC1 ZINC001589357326 1021224141 /nfs/dbraw/zinc/22/41/41/1021224141.db2.gz YQHRLICGTOCCNE-GMTAPVOTSA-N -1 0 302.396 -0.140 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001589397716 1021226505 /nfs/dbraw/zinc/22/65/05/1021226505.db2.gz GIOQNBMFNPSBHA-VPOLOUISSA-N -1 0 318.395 -0.669 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@H](c2ccnc(N)n2)C1 ZINC001589396520 1021227068 /nfs/dbraw/zinc/22/70/68/1021227068.db2.gz GHDJJCYYWWVWGL-UWVGGRQHSA-N -1 0 307.354 -0.173 20 0 DBADRM C[C@H](C(=O)N[C@@H](CCF)C(=O)[O-])n1cnc2c1ncnc2N ZINC001589386174 1021229266 /nfs/dbraw/zinc/22/92/66/1021229266.db2.gz TVODRTPRWVHNOW-RQJHMYQMSA-N -1 0 310.289 -0.102 20 0 DBADRM C[C@@H](C(=O)N[C@H](Cc1ccncc1)C(=O)[O-])S(C)(=O)=O ZINC001589389301 1021229901 /nfs/dbraw/zinc/22/99/01/1021229901.db2.gz XUKMOCDMPJJWHF-WCBMZHEXSA-N -1 0 300.336 -0.373 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1)S(C)(=O)=O ZINC001589397413 1021230582 /nfs/dbraw/zinc/23/05/82/1021230582.db2.gz CYSBWJHQPNSSFS-SVPDRVBRSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@@H](C(=O)N[C@@H](CCF)C(=O)[O-])n1cnc2c1ncnc2N ZINC001589386171 1021231077 /nfs/dbraw/zinc/23/10/77/1021231077.db2.gz TVODRTPRWVHNOW-BQBZGAKWSA-N -1 0 310.289 -0.102 20 0 DBADRM C[C@H](C(=O)NCCC(=O)NCCC(=O)[O-])N1CCSCC1 ZINC001589407752 1021236246 /nfs/dbraw/zinc/23/62/46/1021236246.db2.gz XIYYOTAEKZVWMI-SNVBAGLBSA-N -1 0 317.411 -0.479 20 0 DBADRM C[C@H](C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C1CCC1 ZINC001589404450 1021240131 /nfs/dbraw/zinc/24/01/31/1021240131.db2.gz PDIMKEKKUZXHEU-ONGXEEELSA-N -1 0 322.365 -0.078 20 0 DBADRM C[C@H](C(=O)NC[C@H](O)CC(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC001589403290 1021240268 /nfs/dbraw/zinc/24/02/68/1021240268.db2.gz FLXHKTCOONCHPB-MWLCHTKSSA-N -1 0 319.321 -0.147 20 0 DBADRM C[C@H](C(=O)NCCNc1ccnc(C(=O)[O-])n1)[C@H]1CCCO1 ZINC001589409569 1021240374 /nfs/dbraw/zinc/24/03/74/1021240374.db2.gz GMIIZNPZGZBQQR-VHSXEESVSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])N1C(=O)CCC1=O ZINC001589422298 1021242705 /nfs/dbraw/zinc/24/27/05/1021242705.db2.gz HINILGMQTCFAHD-VXNVDRBHSA-N -1 0 308.294 -0.941 20 0 DBADRM CC(C)[C@H](C)C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001589432728 1021245717 /nfs/dbraw/zinc/24/57/17/1021245717.db2.gz MPLYUTBJBWDRKE-VIFPVBQESA-N -1 0 304.358 -0.101 20 0 DBADRM C[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])N1CCN(C)CC1 ZINC001589424289 1021248415 /nfs/dbraw/zinc/24/84/15/1021248415.db2.gz UWBKHFGVVBWMIK-JQWIXIFHSA-N -1 0 309.370 -0.843 20 0 DBADRM C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC001589424183 1021249750 /nfs/dbraw/zinc/24/97/50/1021249750.db2.gz RCKTWIDXHPPSFS-SCZZXKLOSA-N -1 0 305.294 -0.537 20 0 DBADRM C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@](O)(C(=O)[O-])C1 ZINC001589434952 1021249785 /nfs/dbraw/zinc/24/97/85/1021249785.db2.gz ACDSXLCGRRADMD-BJOHPYRUSA-N -1 0 321.333 -0.366 20 0 DBADRM CC(C)[C@@H](OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(N)=O ZINC001589479631 1021253228 /nfs/dbraw/zinc/25/32/28/1021253228.db2.gz GYCPCQVVQYRNEI-RNFRBKRXSA-N -1 0 308.302 -0.928 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)c1cnn(C[C@H](O)CO)c1)C1CCC1 ZINC001589478212 1021253715 /nfs/dbraw/zinc/25/37/15/1021253715.db2.gz IEYZMFMSCHATQP-SKDRFNHKSA-N -1 0 311.338 -0.296 20 0 DBADRM C[C@H](C(=O)[O-])N(CC(F)F)S(=O)(=O)N=S(C)(C)=O ZINC001589486216 1021256368 /nfs/dbraw/zinc/25/63/68/1021256368.db2.gz KTSLEAORTWHTLX-RXMQYKEDSA-N -1 0 308.328 -0.001 20 0 DBADRM CC(C)(C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)n1cccn1 ZINC001589560983 1021257158 /nfs/dbraw/zinc/25/71/58/1021257158.db2.gz WOLTVKBDGIXTQO-UHFFFAOYSA-N -1 0 304.310 -0.009 20 0 DBADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C(=O)N[C@H]2CCNC2=O)c1 ZINC001589522458 1021259369 /nfs/dbraw/zinc/25/93/69/1021259369.db2.gz KRZRAWPCAXCOJR-KCJUWKMLSA-N -1 0 319.317 -0.182 20 0 DBADRM CC(C)[C@@H]1CCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001589509540 1021262207 /nfs/dbraw/zinc/26/22/07/1021262207.db2.gz FDKHUHNPOFWUKF-QMMMGPOBSA-N -1 0 305.342 -0.501 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)NC[C@@H](O)C2CC2)cn1 ZINC001589661005 1021265781 /nfs/dbraw/zinc/26/57/81/1021265781.db2.gz YJMIECOJXIXATI-SNVBAGLBSA-N -1 0 324.337 -0.472 20 0 DBADRM CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001589692718 1021276542 /nfs/dbraw/zinc/27/65/42/1021276542.db2.gz BYCYUYSNWPUVJB-NXEZZACHSA-N -1 0 300.355 -0.310 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@H](C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001589689824 1021278151 /nfs/dbraw/zinc/27/81/51/1021278151.db2.gz SMBVYUAQZDRRIW-IUCAKERBSA-N -1 0 304.318 -0.201 20 0 DBADRM CC(C)(C)C(=O)C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001589684207 1021278875 /nfs/dbraw/zinc/27/88/75/1021278875.db2.gz BMRIEGNSEPFKOX-QMMMGPOBSA-N -1 0 324.337 -0.899 20 0 DBADRM CC(C)(C(N)=O)C(=O)NC/C=C/CNc1ccnc(C(=O)[O-])n1 ZINC001589682005 1021280974 /nfs/dbraw/zinc/28/09/74/1021280974.db2.gz LOJQDDUYQSFQFK-ONEGZZNKSA-N -1 0 321.337 -0.808 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@H](C(=O)N[C@H](CF)C(=O)[O-])C1 ZINC001589689530 1021282730 /nfs/dbraw/zinc/28/27/30/1021282730.db2.gz GQHLBXRKCQDXCP-BDAKNGLRSA-N -1 0 304.318 -0.201 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001589681937 1021284616 /nfs/dbraw/zinc/28/46/16/1021284616.db2.gz KSNZMULWTDQNPH-AOOOYVTPSA-N -1 0 312.370 -0.559 20 0 DBADRM CC(C)(C)[C@@H]1CS(=O)(=O)CCN1C(=O)COCC(=O)[O-] ZINC001589735656 1021289963 /nfs/dbraw/zinc/28/99/63/1021289963.db2.gz XFVPXXAKPULBGB-VIFPVBQESA-N -1 0 307.368 -0.241 20 0 DBADRM CC(C)(C)CN(CCO)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001589780923 1021300395 /nfs/dbraw/zinc/30/03/95/1021300395.db2.gz TUYAIJFNVAMZCB-AOOOYVTPSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)Cn1cc(C(=O)[O-])ccc1=O ZINC001589823646 1021306978 /nfs/dbraw/zinc/30/69/78/1021306978.db2.gz MMSDRAJPNSBCAW-UHFFFAOYSA-N -1 0 309.322 -0.423 20 0 DBADRM CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)[N-]S(=O)(=O)CC(=O)[O-])C1 ZINC001589805332 1021307868 /nfs/dbraw/zinc/30/78/68/1021307868.db2.gz CSRSDGXMLSCNJK-LLVKDONJSA-N -1 0 310.347 -0.271 20 0 DBADRM CC(C)(C)NC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001589823808 1021308460 /nfs/dbraw/zinc/30/84/60/1021308460.db2.gz UPOCZNLIEGOEAW-GHMZBOCLSA-N -1 0 311.382 -0.234 20 0 DBADRM C[C@H](CCCCO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001589810312 1021310227 /nfs/dbraw/zinc/31/02/27/1021310227.db2.gz LGSBTVRYWFGAAV-MRVPVSSYSA-N -1 0 323.357 -0.773 20 0 DBADRM C[C@H](CCO)NS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001589834642 1021312596 /nfs/dbraw/zinc/31/25/96/1021312596.db2.gz PKJSMQZNNZZSBG-ZCFIWIBFSA-N -1 0 303.369 -0.023 20 0 DBADRM C[C@@H](CN(C)C(=O)Cc1ccc(-c2nn[nH]n2)nc1)C(=O)[O-] ZINC001589839983 1021312906 /nfs/dbraw/zinc/31/29/06/1021312906.db2.gz WESBNGQFSHLXQD-QMMMGPOBSA-N -1 0 304.310 -0.017 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001589839213 1021313526 /nfs/dbraw/zinc/31/35/26/1021313526.db2.gz XNFUBDGWNWEKEM-BDAKNGLRSA-N -1 0 322.383 -0.547 20 0 DBADRM CC(C)(C)OC(=O)[C@@H](C(=O)NCC(=O)NCC(=O)[O-])C1CC1 ZINC001589843168 1021313826 /nfs/dbraw/zinc/31/38/26/1021313826.db2.gz MKAAPKDAPGRFOK-LLVKDONJSA-N -1 0 314.338 -0.329 20 0 DBADRM C[C@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1nccs1 ZINC001589859110 1021317490 /nfs/dbraw/zinc/31/74/90/1021317490.db2.gz YESDLOPUJQUUDB-SSDOTTSWSA-N -1 0 319.354 -0.165 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC001589857522 1021319446 /nfs/dbraw/zinc/31/94/46/1021319446.db2.gz PGPXNZHCIFFZHZ-YUMQZZPRSA-N -1 0 302.283 -0.965 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1)C(=O)[O-] ZINC001589875241 1021324539 /nfs/dbraw/zinc/32/45/39/1021324539.db2.gz SBEASYOZCFOZMF-LURJTMIESA-N -1 0 312.311 -0.739 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001589929312 1021337401 /nfs/dbraw/zinc/33/74/01/1021337401.db2.gz WDWBUYNPKOIRAB-KYZUINATSA-N -1 0 314.338 -0.052 20 0 DBADRM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1ncon1 ZINC001589917955 1021339298 /nfs/dbraw/zinc/33/92/98/1021339298.db2.gz HICKBTVENPZDGU-WDSKDSINSA-N -1 0 304.274 -0.720 20 0 DBADRM C[C@@H](O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001589995174 1021350383 /nfs/dbraw/zinc/35/03/83/1021350383.db2.gz LDSVCVBGENLOJC-SFYZADRCSA-N -1 0 313.339 -0.149 20 0 DBADRM C[C@H](O)[C@@H]1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001589996071 1021355799 /nfs/dbraw/zinc/35/57/99/1021355799.db2.gz PREXWLWNCSFHNX-DTWKUNHWSA-N -1 0 324.366 -0.347 20 0 DBADRM C[C@@H](O)[C@H]1CCCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590000786 1021359478 /nfs/dbraw/zinc/35/94/78/1021359478.db2.gz FWPFQGVROFDXIP-RKDXNWHRSA-N -1 0 321.345 -0.987 20 0 DBADRM C[C@@H](O)C[C@@H](C)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001589999533 1021362737 /nfs/dbraw/zinc/36/27/37/1021362737.db2.gz WXZYQUVZXHJULE-RNFRBKRXSA-N -1 0 309.330 -0.515 20 0 DBADRM C[C@H](O)CN(C)S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001590001315 1021368871 /nfs/dbraw/zinc/36/88/71/1021368871.db2.gz XBXUTIOVUKOEGJ-LURJTMIESA-N -1 0 303.369 -0.071 20 0 DBADRM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC001590092483 1021381152 /nfs/dbraw/zinc/38/11/52/1021381152.db2.gz PMBSBTZNWQTHKQ-SFYZADRCSA-N -1 0 320.367 -0.142 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(=O)[O-])C1 ZINC001590091290 1021382606 /nfs/dbraw/zinc/38/26/06/1021382606.db2.gz HGCDSNBMQRMEDF-DTWKUNHWSA-N -1 0 302.327 -0.195 20 0 DBADRM CC1(C)C[C@@](C)(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C(=O)O1 ZINC001590081119 1021384274 /nfs/dbraw/zinc/38/42/74/1021384274.db2.gz ZXWQYEMTKRDHSV-GFCCVEGCSA-N -1 0 320.313 -0.941 20 0 DBADRM CC1(C)COC[C@@H]1NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001590111993 1021390241 /nfs/dbraw/zinc/39/02/41/1021390241.db2.gz UFBUDCKQGNSQSV-VIFPVBQESA-N -1 0 324.366 -0.035 20 0 DBADRM CC1(CCNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001590127636 1021390542 /nfs/dbraw/zinc/39/05/42/1021390542.db2.gz QCPJKMNBIVNPFY-UHFFFAOYSA-N -1 0 305.346 -0.052 20 0 DBADRM C[C@]1(CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCCO1 ZINC001590130385 1021392977 /nfs/dbraw/zinc/39/29/77/1021392977.db2.gz HDBXJKWTSWCAPX-GFCCVEGCSA-N -1 0 321.345 -0.674 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001590148356 1021393666 /nfs/dbraw/zinc/39/36/66/1021393666.db2.gz YIBSZQNMVMUTCK-DTWKUNHWSA-N -1 0 302.327 -0.195 20 0 DBADRM C[C@]1(O)CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001590150456 1021393869 /nfs/dbraw/zinc/39/38/69/1021393869.db2.gz QBXWAHXCNVMHHH-NSHDSACASA-N -1 0 310.339 -0.593 20 0 DBADRM CC1(O)CCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001590149880 1021394265 /nfs/dbraw/zinc/39/42/65/1021394265.db2.gz GODVRMZGNKJFFH-UHFFFAOYSA-N -1 0 321.345 -0.985 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001590148360 1021395474 /nfs/dbraw/zinc/39/54/74/1021395474.db2.gz YIBSZQNMVMUTCK-RKDXNWHRSA-N -1 0 302.327 -0.195 20 0 DBADRM C[C@]12CN(c3ccnc(-c4nnn[n-]4)n3)C[C@]1(C)C(=O)NC2=O ZINC001590155309 1021396389 /nfs/dbraw/zinc/39/63/89/1021396389.db2.gz HCSGJVUUYJJSOB-CHWSQXEVSA-N -1 0 314.309 -0.854 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2ccc(-c3nn[nH]n3)s2)C(=O)N1C ZINC001590165258 1021400697 /nfs/dbraw/zinc/40/06/97/1021400697.db2.gz KVZMQWCCUXZEAI-RXMQYKEDSA-N -1 0 321.322 -0.145 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H](CO)[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590168628 1021403985 /nfs/dbraw/zinc/40/39/85/1021403985.db2.gz LVTFYXNLZPWRPO-VGMNWLOBSA-N -1 0 306.330 -0.752 20 0 DBADRM CC1CC(CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590192506 1021416428 /nfs/dbraw/zinc/41/64/28/1021416428.db2.gz DOULOUZTQDGCHO-UHFFFAOYSA-N -1 0 305.346 -0.197 20 0 DBADRM CC(C)(C)OC(=O)NCCOCC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001590202019 1021422441 /nfs/dbraw/zinc/42/24/41/1021422441.db2.gz ZMWQVKLJXZIRNW-ZDUSSCGKSA-N -1 0 320.342 -0.521 20 0 DBADRM C[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)CCS1(=O)=O ZINC001590210754 1021426886 /nfs/dbraw/zinc/42/68/86/1021426886.db2.gz ZVVSSEORWBXVDC-YUMQZZPRSA-N -1 0 309.355 -0.544 20 0 DBADRM C[C@@H](C(=O)N1CC(=O)CC[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590218176 1021427912 /nfs/dbraw/zinc/42/79/12/1021427912.db2.gz HJBYYDDHCGVEKC-YUMQZZPRSA-N -1 0 304.314 -0.401 20 0 DBADRM C[C@@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)CN1C(=O)C1CC1 ZINC001590207511 1021429330 /nfs/dbraw/zinc/42/93/30/1021429330.db2.gz GMVXDOJGICJNIV-PSASIEDQSA-N -1 0 314.353 -0.110 20 0 DBADRM C[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)CN1C(=O)C1CC1 ZINC001590207513 1021429588 /nfs/dbraw/zinc/42/95/88/1021429588.db2.gz GMVXDOJGICJNIV-WCBMZHEXSA-N -1 0 314.353 -0.110 20 0 DBADRM C[C@@H]1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CS1 ZINC001590206621 1021431060 /nfs/dbraw/zinc/43/10/60/1021431060.db2.gz JWHLGEHJJCIEQV-RITPCOANSA-N -1 0 309.355 -0.028 20 0 DBADRM C[C@H]1CCC[C@H](C)N1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590243962 1021433702 /nfs/dbraw/zinc/43/37/02/1021433702.db2.gz OPMWTBQJHSVKRL-IUCAKERBSA-N -1 0 305.346 -0.248 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC001590263949 1021436171 /nfs/dbraw/zinc/43/61/71/1021436171.db2.gz PBVODKLUYRDEEZ-VGMNWLOBSA-N -1 0 318.326 -0.770 20 0 DBADRM CC(C)(C)OC(=O)NOCC(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001590233146 1021436250 /nfs/dbraw/zinc/43/62/50/1021436250.db2.gz PMGGBVVCFNYOSD-IONNQARKSA-N -1 0 304.299 -0.199 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@H](C2CC2)O1 ZINC001590291122 1021441996 /nfs/dbraw/zinc/44/19/96/1021441996.db2.gz JLRFJNQVNTXIEG-WCBMZHEXSA-N -1 0 318.341 -0.516 20 0 DBADRM C[C@H](C(=O)N1C[C@@H](C)OC[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590283131 1021442342 /nfs/dbraw/zinc/44/23/42/1021442342.db2.gz FPWQHKKFIKCISH-DJLDLDEBSA-N -1 0 306.330 -0.345 20 0 DBADRM C[C@H](C(=O)N1C[C@@H](C)OC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590283139 1021444546 /nfs/dbraw/zinc/44/45/46/1021444546.db2.gz FPWQHKKFIKCISH-IWSPIJDZSA-N -1 0 306.330 -0.345 20 0 DBADRM CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC001590296743 1021449018 /nfs/dbraw/zinc/44/90/18/1021449018.db2.gz KXELDUCPGFUEMO-CIUDSAMLSA-N -1 0 302.327 -0.149 20 0 DBADRM C/C=C(/C)C(=O)N(C)C[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001514577828 1021451781 /nfs/dbraw/zinc/45/17/81/1021451781.db2.gz SHDPHPLHZTXQRY-ZUYFITGHSA-N -1 0 323.353 -0.285 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CSC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590328250 1021461588 /nfs/dbraw/zinc/46/15/88/1021461588.db2.gz FRVYZNOZFZCREC-GJMOJQLCSA-N -1 0 308.371 -0.113 20 0 DBADRM C[C@@H]1CSC[C@@H]1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590327887 1021462419 /nfs/dbraw/zinc/46/24/19/1021462419.db2.gz ADAAKNWKKSUODQ-SFYZADRCSA-N -1 0 323.386 -0.491 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NCC(=O)NCC(=O)[O-] ZINC001590332880 1021462684 /nfs/dbraw/zinc/46/26/84/1021462684.db2.gz ZXSNPGWNVCPQAB-DTWKUNHWSA-N -1 0 314.338 -0.329 20 0 DBADRM C[C@H](C(=O)N1CCSC[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590328366 1021463658 /nfs/dbraw/zinc/46/36/58/1021463658.db2.gz YQGXWDRAICGPOJ-JGVFFNPUSA-N -1 0 308.371 -0.017 20 0 DBADRM C[C@@H]1COCC[C@@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590324655 1021465009 /nfs/dbraw/zinc/46/50/09/1021465009.db2.gz PHQABPVCVUKIPZ-RQJHMYQMSA-N -1 0 307.314 -0.497 20 0 DBADRM C[C@H](C(=O)N1CCOC[C@@H](C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001590326333 1021465140 /nfs/dbraw/zinc/46/51/40/1021465140.db2.gz OHJAUUCUTQPLEG-DTWKUNHWSA-N -1 0 306.330 -0.486 20 0 DBADRM C/C=C/C[C@@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590353944 1021473101 /nfs/dbraw/zinc/47/31/01/1021473101.db2.gz QRPTUMASTINKMB-SDLBARTOSA-N -1 0 307.314 -0.595 20 0 DBADRM CCC(C)(C)OCC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590376602 1021478002 /nfs/dbraw/zinc/47/80/02/1021478002.db2.gz KHSAXCMPFJCFEO-UHFFFAOYSA-N -1 0 308.346 -0.220 20 0 DBADRM CCC(CC)[C@H](O)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590432989 1021487021 /nfs/dbraw/zinc/48/70/21/1021487021.db2.gz UVZVNPWQTBFRBF-PSASIEDQSA-N -1 0 322.373 -0.068 20 0 DBADRM CCC(CC)[C@@H](O)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590432992 1021488183 /nfs/dbraw/zinc/48/81/83/1021488183.db2.gz UVZVNPWQTBFRBF-WPRPVWTQSA-N -1 0 322.373 -0.068 20 0 DBADRM CC[C@@H](C)C(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001590390574 1021488235 /nfs/dbraw/zinc/48/82/35/1021488235.db2.gz GSVPPFDBVPMUOW-SSDOTTSWSA-N -1 0 319.325 -0.442 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)[C@H](C)O ZINC001590468420 1021503211 /nfs/dbraw/zinc/50/32/11/1021503211.db2.gz FATSZIOBNKEKNC-NKWVEPMBSA-N -1 0 301.328 -0.103 20 0 DBADRM CC[C@@]1(CO)CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590495439 1021505918 /nfs/dbraw/zinc/50/59/18/1021505918.db2.gz FNBAMRNRICDBIM-CYBMUJFWSA-N -1 0 320.357 -0.531 20 0 DBADRM CC[C@]1(O)CCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001590499978 1021508951 /nfs/dbraw/zinc/50/89/51/1021508951.db2.gz IYQJJJRBRAIEGF-PELKAZGASA-N -1 0 306.330 -0.607 20 0 DBADRM CC[C@@]1(C)CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001590490043 1021509550 /nfs/dbraw/zinc/50/95/50/1021509550.db2.gz PKIFBIPHNMRXTC-ZDUSSCGKSA-N -1 0 305.342 -0.120 20 0 DBADRM CCCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590538610 1021514346 /nfs/dbraw/zinc/51/43/46/1021514346.db2.gz YPDBRWHPAAVQIU-KYZUINATSA-N -1 0 302.342 -0.062 20 0 DBADRM CCC[C@@H](C)S(=O)(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590553821 1021514541 /nfs/dbraw/zinc/51/45/41/1021514541.db2.gz SLAJZSFBVNIEFT-MRVPVSSYSA-N -1 0 314.375 -0.434 20 0 DBADRM CCC[C@H](CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)OC ZINC001590557877 1021516768 /nfs/dbraw/zinc/51/67/68/1021516768.db2.gz URUDVQBNIOZFAR-RKDXNWHRSA-N -1 0 308.346 -0.050 20 0 DBADRM CCC[C@H](C)S(=O)(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590553822 1021517320 /nfs/dbraw/zinc/51/73/20/1021517320.db2.gz SLAJZSFBVNIEFT-QMMMGPOBSA-N -1 0 314.375 -0.434 20 0 DBADRM CC(C)(C)n1cc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])cn1 ZINC001590593921 1021519579 /nfs/dbraw/zinc/51/95/79/1021519579.db2.gz WDJQULGRFUFXDY-SECBINFHSA-N -1 0 312.326 -0.472 20 0 DBADRM CCC[C@@](C)(CO)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590542684 1021522018 /nfs/dbraw/zinc/52/20/18/1021522018.db2.gz DQUYLNXSFIXMQL-UFBFGSQYSA-N -1 0 308.346 -0.314 20 0 DBADRM CCCN(CCC)C(=O)Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001590623794 1021527015 /nfs/dbraw/zinc/52/70/15/1021527015.db2.gz RWULLBQATCQAEQ-UHFFFAOYSA-N -1 0 321.341 -0.222 20 0 DBADRM CCCN(CC(=O)NC)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590620143 1021527175 /nfs/dbraw/zinc/52/71/75/1021527175.db2.gz HBYYKOOJPKBKCK-MRVPVSSYSA-N -1 0 321.345 -0.996 20 0 DBADRM CCCN(CC1CC1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590622312 1021530160 /nfs/dbraw/zinc/53/01/60/1021530160.db2.gz SISRNNBXCOEKCI-UHFFFAOYSA-N -1 0 305.342 -0.120 20 0 DBADRM CCN(C[C@H]1CCOC1)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590690942 1021542291 /nfs/dbraw/zinc/54/22/91/1021542291.db2.gz MXQXVDLFENTHCC-VHSXEESVSA-N -1 0 320.357 -0.096 20 0 DBADRM CCN(C[C@@H]1CCOC1)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590690940 1021543735 /nfs/dbraw/zinc/54/37/35/1021543735.db2.gz MXQXVDLFENTHCC-UWVGGRQHSA-N -1 0 320.357 -0.096 20 0 DBADRM CC(C)(CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O)CC(=O)[O-] ZINC001590703046 1021549124 /nfs/dbraw/zinc/54/91/24/1021549124.db2.gz UVBJUMIYOCAVEE-QJHLZDNFSA-N -1 0 316.379 -0.665 20 0 DBADRM CCNC(=O)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590742782 1021563929 /nfs/dbraw/zinc/56/39/29/1021563929.db2.gz YMOXJQSNHXKWCU-QMMMGPOBSA-N -1 0 303.330 -0.706 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N(C)C[C@]12CCC[C@H]1OCC2 ZINC001518617352 1021565049 /nfs/dbraw/zinc/56/50/49/1021565049.db2.gz DYCFTWUHSXFFHP-ZWNOBZJWSA-N -1 0 310.358 -0.254 20 0 DBADRM CC(C)(CNC(N)=O)NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001590757627 1021569509 /nfs/dbraw/zinc/56/95/09/1021569509.db2.gz QVLBOWIRDLXDQV-RKDXNWHRSA-N -1 0 321.399 -0.004 20 0 DBADRM CCOC(=O)[C@@H](C)OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590751175 1021572166 /nfs/dbraw/zinc/57/21/66/1021572166.db2.gz GEWRGBBPBVPTAG-NKWVEPMBSA-N -1 0 309.286 -0.486 20 0 DBADRM CCOC1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC1 ZINC001590796860 1021580774 /nfs/dbraw/zinc/58/07/74/1021580774.db2.gz REYKAEYQYOGVMD-UHFFFAOYSA-N -1 0 321.341 -0.741 20 0 DBADRM CCOC[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001590802074 1021586750 /nfs/dbraw/zinc/58/67/50/1021586750.db2.gz XUVJIEQHRCMMSM-QMMMGPOBSA-N -1 0 321.341 -0.884 20 0 DBADRM CCOCCN(CC)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590812816 1021590145 /nfs/dbraw/zinc/59/01/45/1021590145.db2.gz PNUFRHWWXXKAOZ-UHFFFAOYSA-N -1 0 309.330 -0.884 20 0 DBADRM CC(C)(NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1cn[nH]n1 ZINC001590844936 1021592803 /nfs/dbraw/zinc/59/28/03/1021592803.db2.gz RUPYJTYCWNGEIU-MRVPVSSYSA-N -1 0 309.326 -0.521 20 0 DBADRM CC(C)(F)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001590826321 1021592900 /nfs/dbraw/zinc/59/29/00/1021592900.db2.gz CFOKADAOZXZCFY-SFYZADRCSA-N -1 0 302.302 -0.855 20 0 DBADRM CC(C)(F)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001590826320 1021594709 /nfs/dbraw/zinc/59/47/09/1021594709.db2.gz CFOKADAOZXZCFY-JGVFFNPUSA-N -1 0 302.302 -0.855 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(C)c(-c2nn[nH]n2)c1 ZINC001590818930 1021594734 /nfs/dbraw/zinc/59/47/34/1021594734.db2.gz KUWGIAZOQTYIIK-UHFFFAOYSA-N -1 0 304.310 -0.027 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC001590819673 1021595983 /nfs/dbraw/zinc/59/59/83/1021595983.db2.gz XWHIFZUZRJFEDF-UHFFFAOYSA-N -1 0 319.325 -0.266 20 0 DBADRM CC(C)(NC(=O)CNS(=O)(=O)c1ccccc1N)C(=O)[O-] ZINC001590844806 1021596945 /nfs/dbraw/zinc/59/69/45/1021596945.db2.gz LTXKOSPZXHHZNQ-UHFFFAOYSA-N -1 0 315.351 -0.474 20 0 DBADRM O=C(CN1C(=O)CCC1=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC001520614347 1021598810 /nfs/dbraw/zinc/59/88/10/1021598810.db2.gz DLERAGWGVTVTSC-CYBMUJFWSA-N -1 0 314.305 -0.446 20 0 DBADRM CC(C)(NS(=O)(=O)CCC[C@@H]1CCOC1)[C@H](O)C(=O)[O-] ZINC001590874642 1021599568 /nfs/dbraw/zinc/59/95/68/1021599568.db2.gz JYBQSGATWVZGDG-NXEZZACHSA-N -1 0 309.384 -0.053 20 0 DBADRM CC[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001590856537 1021599892 /nfs/dbraw/zinc/59/98/92/1021599892.db2.gz BPFZHXWOTMWKIC-RXMQYKEDSA-N -1 0 304.236 -0.085 20 0 DBADRM CC[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1)C(=O)[O-] ZINC001590868693 1021600954 /nfs/dbraw/zinc/60/09/54/1021600954.db2.gz XKJGPBXJMZQYSR-YFKPBYRVSA-N -1 0 301.284 -0.399 20 0 DBADRM CC(C)(O)C[C@@H](O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001590893894 1021605124 /nfs/dbraw/zinc/60/51/24/1021605124.db2.gz VMRAMUOQANOGGA-VHSXEESVSA-N -1 0 309.384 -0.918 20 0 DBADRM CCc1nc(C)c(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)o1 ZINC001590912452 1021609246 /nfs/dbraw/zinc/60/92/46/1021609246.db2.gz YIOLGZCSNPPMGE-UHFFFAOYSA-N -1 0 317.313 -0.253 20 0 DBADRM CCc1nn(Cc2nnn(C)n2)c(=O)c(-c2nnn[n-]2)c1CC ZINC001590929621 1021610084 /nfs/dbraw/zinc/61/00/84/1021610084.db2.gz GADXBIOMEVXFDN-UHFFFAOYSA-N -1 0 316.329 -0.880 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001590938634 1021614468 /nfs/dbraw/zinc/61/44/68/1021614468.db2.gz IMAPSAXHPNTVKG-NSHDSACASA-N -1 0 309.322 -0.471 20 0 DBADRM C[C@H](COCC1CC1)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001521164810 1021616209 /nfs/dbraw/zinc/61/62/09/1021616209.db2.gz NOORCZFGBVIRQD-SNVBAGLBSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C[C@H]1O ZINC001590939155 1021616074 /nfs/dbraw/zinc/61/60/74/1021616074.db2.gz VUMYZYYTFJMOFY-GHMZBOCLSA-N -1 0 308.338 -0.113 20 0 DBADRM CCn1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)nn1 ZINC001590954576 1021616842 /nfs/dbraw/zinc/61/68/42/1021616842.db2.gz ZZSWPJWGQMRCCV-UHFFFAOYSA-N -1 0 324.326 -0.450 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cnc(C)cn2)c1=O ZINC001590949700 1021617252 /nfs/dbraw/zinc/61/72/52/1021617252.db2.gz MHGCDWFQGPFCFY-UHFFFAOYSA-N -1 0 314.309 -0.643 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001590938626 1021617325 /nfs/dbraw/zinc/61/73/25/1021617325.db2.gz HYTAHYMKFAWMBR-JTQLQIEISA-N -1 0 300.355 -0.119 20 0 DBADRM CCn1ccc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001590959794 1021617638 /nfs/dbraw/zinc/61/76/38/1021617638.db2.gz UFBRWUFWHYNTOX-ZETCQYMHSA-N -1 0 302.302 -0.126 20 0 DBADRM CC(C)C(=O)NCCCNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001590939082 1021617887 /nfs/dbraw/zinc/61/78/87/1021617887.db2.gz RCMGUQBVVQMLAE-UHFFFAOYSA-N -1 0 323.349 -0.175 20 0 DBADRM CCn1ncn([N-]C(=O)c2cnccc2-c2nn[nH]n2)c1=O ZINC001590970709 1021618796 /nfs/dbraw/zinc/61/87/96/1021618796.db2.gz CUAGOJYVJLHUCR-UHFFFAOYSA-N -1 0 301.270 -0.976 20 0 DBADRM CCn1ccnc1Sc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590961838 1021622292 /nfs/dbraw/zinc/62/22/92/1021622292.db2.gz BNCBDEDIYSOYJP-UHFFFAOYSA-N -1 0 320.338 -0.379 20 0 DBADRM CC(C)[C@H](F)C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001590996985 1021623850 /nfs/dbraw/zinc/62/38/50/1021623850.db2.gz SSXFGNKIOQJPDF-SCZZXKLOSA-N -1 0 314.317 -0.520 20 0 DBADRM CC(C)CC(=O)NCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001522492826 1021729962 /nfs/dbraw/zinc/72/99/62/1021729962.db2.gz IADGJKUACPYQRJ-UHFFFAOYSA-N -1 0 313.358 -0.252 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H]1C(=O)NCCNC(=O)c1ccccc1O ZINC001522522032 1021747144 /nfs/dbraw/zinc/74/71/44/1021747144.db2.gz VTMDVZOLZSHBKL-ZJUUUORDSA-N -1 0 305.334 -0.250 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)CC(=O)NCC2CC2)c1[O-] ZINC001522590665 1021803529 /nfs/dbraw/zinc/80/35/29/1021803529.db2.gz KKZDUPYTNPSCEY-UHFFFAOYSA-N -1 0 323.353 -0.814 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)CCN2CCCC2=O)c1[O-] ZINC001522592037 1021805438 /nfs/dbraw/zinc/80/54/38/1021805438.db2.gz QVQBKNHHTRCYMH-UHFFFAOYSA-N -1 0 323.353 -0.718 20 0 DBADRM CN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)CCCF ZINC001523699808 1022092885 /nfs/dbraw/zinc/09/28/85/1022092885.db2.gz SPUBWZJWPBGRGS-UHFFFAOYSA-N -1 0 317.321 -0.596 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](NC(=O)C1CCC1)C1CC1 ZINC001524482696 1022304519 /nfs/dbraw/zinc/30/45/19/1022304519.db2.gz WVMFSAURUYFRTD-JTQLQIEISA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@H](CNC(=O)C1CC=CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001526465936 1022504713 /nfs/dbraw/zinc/50/47/13/1022504713.db2.gz KVCBGMSJINEOKS-SECBINFHSA-N -1 0 320.349 -0.313 20 0 DBADRM COC[C@@H](NC(=O)c1cnn2cccc(OC)c12)c1nnn[n-]1 ZINC001558339675 1023956584 /nfs/dbraw/zinc/95/65/84/1023956584.db2.gz JROFCSIGWRZCTG-SECBINFHSA-N -1 0 317.309 -0.027 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O ZINC001558574118 1023962698 /nfs/dbraw/zinc/96/26/98/1023962698.db2.gz YCETWIZTKBRULL-LDYMZIIASA-N -1 0 302.327 -0.737 20 0 DBADRM COC(=O)CCCO[N-]C(=O)CNC(=O)c1ncccc1O ZINC001558572586 1023964014 /nfs/dbraw/zinc/96/40/14/1023964014.db2.gz DOUFMVZCXGCLAJ-UHFFFAOYSA-N -1 0 311.294 -0.482 20 0 DBADRM CO[N-]C(=O)CNC(=O)/C=C/C(=O)NCc1ccc(OC)cc1 ZINC001558637530 1023966131 /nfs/dbraw/zinc/96/61/31/1023966131.db2.gz UEDIWMIOBWSNNS-BQYQJAHWSA-N -1 0 321.333 -0.339 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001559002622 1023976819 /nfs/dbraw/zinc/97/68/19/1023976819.db2.gz POUBRDWZJRVABY-UHFFFAOYSA-N -1 0 302.246 -0.481 20 0 DBADRM COc1ccc(-n2cc(C(=O)[N-]N3CN=NC3=O)nn2)cc1 ZINC001558957396 1023979332 /nfs/dbraw/zinc/97/93/32/1023979332.db2.gz FDFJGSBYQNJNCX-UHFFFAOYSA-N -1 0 301.266 -0.043 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)[nH]n1)C(OC)OC ZINC001561733278 1024015241 /nfs/dbraw/zinc/01/52/41/1024015241.db2.gz FJFLXAXVHLVLBZ-SSDOTTSWSA-N -1 0 321.355 -0.128 20 0 DBADRM O=C(NCCNS(=O)(=O)c1ccccc1[O-])c1cnccn1 ZINC001561848686 1024018139 /nfs/dbraw/zinc/01/81/39/1024018139.db2.gz LZOHOIMRSZQOTJ-UHFFFAOYSA-N -1 0 322.346 -0.110 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc(F)c(C(=O)OC)c1 ZINC001561981874 1024018393 /nfs/dbraw/zinc/01/83/93/1024018393.db2.gz KINNZIWZKWOTEY-UHFFFAOYSA-N -1 0 320.298 -0.432 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H](C)C1CCN(C(=O)OC)CC1 ZINC001564594586 1024038877 /nfs/dbraw/zinc/03/88/77/1024038877.db2.gz FIVMFAVJHYMVMQ-SECBINFHSA-N -1 0 316.358 -0.170 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC1CCN(c2cc(C)[nH]n2)CC1 ZINC001564595851 1024038965 /nfs/dbraw/zinc/03/89/65/1024038965.db2.gz GIYNBEKPEGUJQK-UHFFFAOYSA-N -1 0 310.358 -0.336 20 0 DBADRM CCCN(C(=O)NCC(=O)[N-]OC)[C@@H]1CCS(=O)(=O)C1 ZINC001565421655 1024052262 /nfs/dbraw/zinc/05/22/62/1024052262.db2.gz ZUEKQHLCAPKACK-SECBINFHSA-N -1 0 307.372 -0.727 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)NCc1nc(CNCCF)cc(=O)[nH]1 ZINC001565990129 1024098553 /nfs/dbraw/zinc/09/85/53/1024098553.db2.gz GGUOBDIBVCNVLK-UHFFFAOYSA-N -1 0 324.316 -0.092 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCCO[C@@H]1CCOC1 ZINC001566388319 1024147769 /nfs/dbraw/zinc/14/77/69/1024147769.db2.gz IRVPYLOHJVFQPO-SNVBAGLBSA-N -1 0 314.342 -0.219 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)[N-]OCC(N)=O ZINC001566980831 1024446239 /nfs/dbraw/zinc/44/62/39/1024446239.db2.gz REVRHUZWLNPYLE-BDAKNGLRSA-N -1 0 317.342 -0.551 20 0 DBADRM Cc1cnc(CNCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)nc1 ZINC001567526041 1024766663 /nfs/dbraw/zinc/76/66/63/1024766663.db2.gz WLEPLEZBTMTSEH-UHFFFAOYSA-N -1 0 319.325 -0.757 20 0 DBADRM Cc1nc(CNCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)oc1C ZINC001567596400 1024802565 /nfs/dbraw/zinc/80/25/65/1024802565.db2.gz GCGDEAURDITJSB-UHFFFAOYSA-N -1 0 324.341 -0.458 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)NCCc2n[n-]c(=S)o2)C[C@H]1C ZINC001567853485 1024834292 /nfs/dbraw/zinc/83/42/92/1024834292.db2.gz ZLRXXBFGPYYNDD-ZXFLCMHBSA-N -1 0 315.351 -0.016 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)[N-]OCC(C)(C)O)C1=O ZINC001568569904 1024946763 /nfs/dbraw/zinc/94/67/63/1024946763.db2.gz ZRLNOSYWKXINQV-SECBINFHSA-N -1 0 302.327 -0.783 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)c1cnn2c1CCC2 ZINC001568860088 1025049543 /nfs/dbraw/zinc/04/95/43/1025049543.db2.gz HIANAJCFKUULSI-UPHRSURJSA-N -1 0 317.353 -0.271 20 0 DBADRM COCc1cc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)no1 ZINC001568930315 1025085594 /nfs/dbraw/zinc/08/55/94/1025085594.db2.gz DJQUWWBVFIPYBR-NSCUHMNNSA-N -1 0 322.325 -0.280 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)[N-]OC(C)(C)CO ZINC001569244057 1025181392 /nfs/dbraw/zinc/18/13/92/1025181392.db2.gz YWASQUCDUNIOSE-GXSJLCMTSA-N -1 0 302.371 -0.139 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(CCOCC3CC3)C2)c1[O-] ZINC001569770532 1025349976 /nfs/dbraw/zinc/34/99/76/1025349976.db2.gz GCNQHGRZIADOKN-UHFFFAOYSA-N -1 0 324.381 -0.373 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)CN(C)S(=O)(=O)CC ZINC001570836814 1025770348 /nfs/dbraw/zinc/77/03/48/1025770348.db2.gz SCLUGUHUCZZGEP-UHFFFAOYSA-N -1 0 310.372 -0.343 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)CCCC(=O)N(C)C)C(=O)[O-] ZINC001571074453 1025810649 /nfs/dbraw/zinc/81/06/49/1025810649.db2.gz LEQRJMGZOWEWMK-IUCAKERBSA-N -1 0 301.343 -0.661 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)COC[C@@H]1CCCO1)C(=O)[O-] ZINC001571077037 1025812174 /nfs/dbraw/zinc/81/21/74/1025812174.db2.gz SJACPVZGRMHBMX-GUBZILKMSA-N -1 0 302.327 -0.724 20 0 DBADRM C[C@]1(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])CCNC(=O)C1 ZINC001571070327 1025809371 /nfs/dbraw/zinc/80/93/71/1025809371.db2.gz YRZCUIJZNASOSM-OQPBUACISA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCC(=O)NCC(F)F)CCC1 ZINC001571069104 1025809569 /nfs/dbraw/zinc/80/95/69/1025809569.db2.gz DMGCCZSVPJDHFU-UHFFFAOYSA-N -1 0 300.283 -0.706 20 0 DBADRM Cn1cccc1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001571071959 1025809935 /nfs/dbraw/zinc/80/99/35/1025809935.db2.gz DXLFROUTAJIWPW-JOYOIKCWSA-N -1 0 300.336 -0.357 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001571074038 1025810492 /nfs/dbraw/zinc/81/04/92/1025810492.db2.gz CWFBHTAYMQECPV-AXTSPUMRSA-N -1 0 301.343 -0.624 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)C2CCS(=O)(=O)CC2)n1 ZINC001571074048 1025810683 /nfs/dbraw/zinc/81/06/83/1025810683.db2.gz FIGJHHCXCGJSPX-UHFFFAOYSA-N -1 0 301.324 -0.118 20 0 DBADRM Cn1ccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1=O ZINC001571072394 1025810702 /nfs/dbraw/zinc/81/07/02/1025810702.db2.gz WERDPMNETDQRJJ-SNVBAGLBSA-N -1 0 300.336 -0.931 20 0 DBADRM Cn1nnc(C(=O)N2CC(=O)Nc3cc(C(=O)[O-])ccc32)n1 ZINC001571074307 1025811175 /nfs/dbraw/zinc/81/11/75/1025811175.db2.gz JPABMGUFBZIMFD-UHFFFAOYSA-N -1 0 302.250 -0.493 20 0 DBADRM Nc1ncc(S(=O)(=O)NC[C@H](CC2CC2)C(=O)[O-])cn1 ZINC001571072191 1025811224 /nfs/dbraw/zinc/81/12/24/1025811224.db2.gz NRXXOUMAYCALGH-QMMMGPOBSA-N -1 0 300.340 -0.162 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@@H]3OCC[C@@H]3C2)n[nH]1 ZINC001571073998 1025811524 /nfs/dbraw/zinc/81/15/24/1025811524.db2.gz CSBNJJJDMQQAAU-APPZFPTMSA-N -1 0 301.324 -0.093 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2CC[C@H](CS(N)(=O)=O)C2)n1 ZINC001571072316 1025811733 /nfs/dbraw/zinc/81/17/33/1025811733.db2.gz SJMJFOVQFYEYCO-QMMMGPOBSA-N -1 0 300.340 -0.402 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCCS(=O)(=O)C2CC2)n1 ZINC001571074628 1025811746 /nfs/dbraw/zinc/81/17/46/1025811746.db2.gz KOOXDGBZQLKJMQ-UHFFFAOYSA-N -1 0 301.324 -0.725 20 0 DBADRM C[C@@](CO)(NC(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC001571076888 1025812534 /nfs/dbraw/zinc/81/25/34/1025812534.db2.gz OAAKDMUHDKFXPB-NSHDSACASA-N -1 0 302.308 -0.950 20 0 DBADRM CN(C)C(=O)CCCC(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001571077229 1025812558 /nfs/dbraw/zinc/81/25/58/1025812558.db2.gz XGRKLYORAIHWSU-VIFPVBQESA-N -1 0 302.327 -0.423 20 0 DBADRM O=C([O-])c1cnc(N[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)nc1 ZINC001571079206 1025812889 /nfs/dbraw/zinc/81/28/89/1025812889.db2.gz ALZXRRATQDIFSY-MRVPVSSYSA-N -1 0 303.282 -0.381 20 0 DBADRM C[C@H](CC(=O)N1CC(O)(C(=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001571076994 1025813173 /nfs/dbraw/zinc/81/31/73/1025813173.db2.gz QVRICJKURDZDOR-MRVPVSSYSA-N -1 0 302.327 -0.052 20 0 DBADRM C[C@H](O)CN(C(=O)NCCC(=O)NCCC(=O)[O-])C1CC1 ZINC001571075063 1025813353 /nfs/dbraw/zinc/81/33/53/1025813353.db2.gz VZVMTPATTSAWOB-VIFPVBQESA-N -1 0 301.343 -0.478 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC001571076984 1025813679 /nfs/dbraw/zinc/81/36/79/1025813679.db2.gz QGFKPSMDBBKXLP-MRVPVSSYSA-N -1 0 302.308 -0.686 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001571079845 1025814473 /nfs/dbraw/zinc/81/44/73/1025814473.db2.gz JXLGTDMMYLTSNS-QJPTWQEYSA-N -1 0 303.318 -0.013 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)c3ccon3)C2)n1 ZINC001571079258 1025814658 /nfs/dbraw/zinc/81/46/58/1025814658.db2.gz FIOXNLPVGULFAI-MRVPVSSYSA-N -1 0 303.278 -0.089 20 0 DBADRM Cn1cnc(S(=O)(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC001571080428 1025814819 /nfs/dbraw/zinc/81/48/19/1025814819.db2.gz QUJPJVKISFQKJA-IUCAKERBSA-N -1 0 303.340 -0.564 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C[C@@H]2C=CS(=O)(=O)C2)C1 ZINC001571080221 1025815257 /nfs/dbraw/zinc/81/52/57/1025815257.db2.gz OMWDXWDADXKEIX-JOYOIKCWSA-N -1 0 303.336 -0.363 20 0 DBADRM Cn1nc(C2CC2)cc1S(=O)(=O)N[C@](C)(CO)C(=O)[O-] ZINC001571080155 1025815288 /nfs/dbraw/zinc/81/52/88/1025815288.db2.gz NIAXAURDUMKZAP-LLVKDONJSA-N -1 0 303.340 -0.589 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)c3ccon3)C2)n1 ZINC001571079262 1025815420 /nfs/dbraw/zinc/81/54/20/1025815420.db2.gz FIOXNLPVGULFAI-QMMMGPOBSA-N -1 0 303.278 -0.089 20 0 DBADRM C[C@H]1CN(C(=O)C2=CS(=O)(=O)CCC2)C[C@@H](C(=O)[O-])O1 ZINC001571079227 1025815480 /nfs/dbraw/zinc/81/54/80/1025815480.db2.gz BHNZVQUMJIGZSS-WPRPVWTQSA-N -1 0 303.336 -0.221 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H]2C[C@H](O)C2(C)C)c1C(=O)[O-] ZINC001571080592 1025816196 /nfs/dbraw/zinc/81/61/96/1025816196.db2.gz SRBKDFRHUUTWHE-RQJHMYQMSA-N -1 0 303.340 -0.146 20 0 DBADRM CN(CC(C)(CO)CO)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001571081951 1025816285 /nfs/dbraw/zinc/81/62/85/1025816285.db2.gz YZHHRCCSZFKJBN-WDEREUQCSA-N -1 0 303.355 -0.294 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)NCc1nc(C(=O)[O-])co1)CC2 ZINC001571084529 1025816377 /nfs/dbraw/zinc/81/63/77/1025816377.db2.gz KSSWMDWLYMCQQK-SSDOTTSWSA-N -1 0 305.294 -0.077 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H]2C[C@H](O)C2(C)C)c1C(=O)[O-] ZINC001571080586 1025816460 /nfs/dbraw/zinc/81/64/60/1025816460.db2.gz SRBKDFRHUUTWHE-BQBZGAKWSA-N -1 0 303.340 -0.146 20 0 DBADRM CSCc1noc(CCC(=O)N[C@](C)(CO)C(=O)[O-])n1 ZINC001571080678 1025816553 /nfs/dbraw/zinc/81/65/53/1025816553.db2.gz VENJALUFRIOSKN-LLVKDONJSA-N -1 0 303.340 -0.183 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H]2C[C@@H](O)C2(C)C)c1C(=O)[O-] ZINC001571080591 1025816854 /nfs/dbraw/zinc/81/68/54/1025816854.db2.gz SRBKDFRHUUTWHE-RNFRBKRXSA-N -1 0 303.340 -0.146 20 0 DBADRM COC[C@@](C)(CC(=O)OC)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001571080831 1025816907 /nfs/dbraw/zinc/81/69/07/1025816907.db2.gz WIOVAIKVBGYIIT-VYUIOLGVSA-N -1 0 303.311 -0.297 20 0 DBADRM COC(=O)[C@](C)(O)CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001571080673 1025817106 /nfs/dbraw/zinc/81/71/06/1025817106.db2.gz VBXSZWORDQJNAS-IGJMFERPSA-N -1 0 303.311 -0.561 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)c1occc1C(=O)[O-] ZINC001571084254 1025817185 /nfs/dbraw/zinc/81/71/85/1025817185.db2.gz HLAVHCJDRYHOKT-CPCISQLKSA-N -1 0 305.308 -0.204 20 0 DBADRM Cc1c(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])nnn1-c1ccn(C)n1 ZINC001571084422 1025817337 /nfs/dbraw/zinc/81/73/37/1025817337.db2.gz DGRBZWIZIYMRCT-BDAKNGLRSA-N -1 0 304.310 -0.098 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)cn1C)C(=O)[O-] ZINC001571085002 1025818545 /nfs/dbraw/zinc/81/85/45/1025818545.db2.gz KAUWISQRVXZKOJ-QMMMGPOBSA-N -1 0 304.324 -0.047 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccnc(NC(=O)C3CC3)c2)C1 ZINC001571085181 1025818926 /nfs/dbraw/zinc/81/89/26/1025818926.db2.gz VNHZXUHSJPNQRU-UHFFFAOYSA-N -1 0 305.290 -0.298 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)c2cc3n(n2)CCCC3=O)n[nH]1 ZINC001571085391 1025819092 /nfs/dbraw/zinc/81/90/92/1025819092.db2.gz OPHWNSOLGNEYOG-UHFFFAOYSA-N -1 0 304.266 -0.143 20 0 DBADRM Cc1nc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001571084637 1025819296 /nfs/dbraw/zinc/81/92/96/1025819296.db2.gz NVEJAJGXDIFYKX-HTRCEHHLSA-N -1 0 305.298 -0.513 20 0 DBADRM C[C@](CO)(NC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12)C(=O)[O-] ZINC001571085058 1025819535 /nfs/dbraw/zinc/81/95/35/1025819535.db2.gz KXYJQXHNKDRDFS-ZWZTZDBGSA-N -1 0 304.302 -0.152 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC001571085559 1025819618 /nfs/dbraw/zinc/81/96/18/1025819618.db2.gz RBAPKCCTVHRKGP-KGDYZURWSA-N -1 0 304.306 -0.683 20 0 DBADRM C[S@](=N)(=O)N1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001571086350 1025820631 /nfs/dbraw/zinc/82/06/31/1025820631.db2.gz KQAIDVGXKOAFAW-ZUNJMDCASA-N -1 0 304.372 -0.232 20 0 DBADRM Cc1cc(C)cc([C@H](NC(=O)Cn2nnc(N)n2)C(=O)[O-])c1 ZINC001571086111 1025820763 /nfs/dbraw/zinc/82/07/63/1025820763.db2.gz XVNPRIYEUXUVAX-NSHDSACASA-N -1 0 304.310 -0.186 20 0 DBADRM O=C([O-])[C@H](CC(F)F)NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001571085806 1025820803 /nfs/dbraw/zinc/82/08/03/1025820803.db2.gz TYNGSFWJDRAHIA-WDSKDSINSA-N -1 0 304.253 -0.229 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CC(=O)[O-])n(C)c1 ZINC001571085944 1025820829 /nfs/dbraw/zinc/82/08/29/1025820829.db2.gz UIICKTGTNINYRX-ZETCQYMHSA-N -1 0 304.324 -0.047 20 0 DBADRM C[C@H]1CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC(=O)N1C ZINC001571086525 1025820976 /nfs/dbraw/zinc/82/09/76/1025820976.db2.gz RHEFMTQANKBXTC-AEJSXWLSSA-N -1 0 304.368 -0.268 20 0 DBADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCN(S(N)(=O)=O)CC1 ZINC001571086479 1025821164 /nfs/dbraw/zinc/82/11/64/1025821164.db2.gz PLNMVWBVVXBVFD-ZETCQYMHSA-N -1 0 304.328 -0.745 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)c3cnon3)C2)n1 ZINC001571086103 1025821262 /nfs/dbraw/zinc/82/12/62/1025821262.db2.gz XMJLMDBEPNHXCU-ZETCQYMHSA-N -1 0 304.266 -0.694 20 0 DBADRM Cc1cc(C)cc([C@@H](NC(=O)Cn2nnc(N)n2)C(=O)[O-])c1 ZINC001571086110 1025821301 /nfs/dbraw/zinc/82/13/01/1025821301.db2.gz XVNPRIYEUXUVAX-LLVKDONJSA-N -1 0 304.310 -0.186 20 0 DBADRM O=C(C[C@H]1CCCS1(=O)=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001571088360 1025822671 /nfs/dbraw/zinc/82/26/71/1025822671.db2.gz XIOYGQPETDFYOW-BXKDBHETSA-N -1 0 305.352 -0.439 20 0 DBADRM C[C@@H]1CCS(=O)(=O)CCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001571087929 1025822912 /nfs/dbraw/zinc/82/29/12/1025822912.db2.gz PGMQVTXAPFGHHS-BBBLOLIVSA-N -1 0 305.352 -0.346 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(C)C ZINC001571087870 1025823086 /nfs/dbraw/zinc/82/30/86/1025823086.db2.gz MYOWVXKESQMAJN-MRVPVSSYSA-N -1 0 305.312 -0.416 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)C[C@H]1CCCS1(=O)=O ZINC001571088243 1025823159 /nfs/dbraw/zinc/82/31/59/1025823159.db2.gz VMSWERVUVXZRCV-YWVKMMECSA-N -1 0 305.352 -0.610 20 0 DBADRM CC[C@@](COC)(NCCC(=O)N(C)CC(=O)[O-])C(=O)OC ZINC001571086938 1025823165 /nfs/dbraw/zinc/82/31/65/1025823165.db2.gz ZQYMWZLHLDVGAF-ZDUSSCGKSA-N -1 0 304.343 -0.523 20 0 DBADRM NC(=O)N1CCCN(C(=O)Cc2ccc(C(=O)[O-])nc2)CC1 ZINC001571092267 1025824111 /nfs/dbraw/zinc/82/41/11/1025824111.db2.gz QDPMEAAABHIVED-UHFFFAOYSA-N -1 0 306.322 -0.065 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1occc1C(=O)[O-])C(N)=O ZINC001571092373 1025824202 /nfs/dbraw/zinc/82/42/02/1025824202.db2.gz SMIGOFOERFGQKC-SSDOTTSWSA-N -1 0 306.296 -0.854 20 0 DBADRM Cc1c[nH]nc1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001571091771 1025824455 /nfs/dbraw/zinc/82/44/55/1025824455.db2.gz JJDYUVGYEHKLMB-UWVGGRQHSA-N -1 0 306.322 -0.277 20 0 DBADRM Cn1ccc(-c2cc(C(=O)N3CC[C@@](O)(C(=O)[O-])C3)no2)n1 ZINC001571091595 1025824558 /nfs/dbraw/zinc/82/45/58/1025824558.db2.gz HVMLUNGPYZCLEU-ZDUSSCGKSA-N -1 0 306.278 -0.263 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H]2CN(C(=O)C3CC3)CCO2)n1 ZINC001571092914 1025824651 /nfs/dbraw/zinc/82/46/51/1025824651.db2.gz ZCOYFHWRTHFRTF-SNVBAGLBSA-N -1 0 306.322 -0.354 20 0 DBADRM O=C([O-])c1nccc(NC[C@H]2CN(C(=O)C3CC3)CCO2)n1 ZINC001571092913 1025824829 /nfs/dbraw/zinc/82/48/29/1025824829.db2.gz ZCOYFHWRTHFRTF-JTQLQIEISA-N -1 0 306.322 -0.354 20 0 DBADRM CCN1C[C@H](CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])OC1=O ZINC001571092364 1025824976 /nfs/dbraw/zinc/82/49/76/1025824976.db2.gz SHJMXXSJAREBDL-BDAKNGLRSA-N -1 0 306.340 -0.989 20 0 DBADRM Cn1c(=O)oc2c1cccc2C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001571093027 1025825250 /nfs/dbraw/zinc/82/52/50/1025825250.db2.gz XQHXAZQMJUUXGP-CQSZACIVSA-N -1 0 306.274 -0.207 20 0 DBADRM O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1C(=O)[C@H]1COC(=O)N1 ZINC001571091573 1025825350 /nfs/dbraw/zinc/82/53/50/1025825350.db2.gz HDMPFODFAYTWSU-MNOVXSKESA-N -1 0 306.274 -0.162 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001571092112 1025825373 /nfs/dbraw/zinc/82/53/73/1025825373.db2.gz OPDQQHVQDXEPIR-WKJUBOCMSA-N -1 0 306.322 -0.245 20 0 DBADRM NC(=O)c1ccc(CC(=O)NC[C@]2(C(=O)[O-])CCOC2)cc1 ZINC001571091262 1025825681 /nfs/dbraw/zinc/82/56/81/1025825681.db2.gz CHHGBPZVSZIVMP-OAHLLOKOSA-N -1 0 306.318 -0.065 20 0 DBADRM O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001571095914 1025826487 /nfs/dbraw/zinc/82/64/87/1025826487.db2.gz FPWGFLRKYGNFOU-RGOKHQFPSA-N -1 0 307.306 -0.436 20 0 DBADRM C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001571096032 1025826725 /nfs/dbraw/zinc/82/67/25/1025826725.db2.gz GJDXPNLIACPFDJ-XWLWVQCSSA-N -1 0 307.368 -0.037 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001571095801 1025827022 /nfs/dbraw/zinc/82/70/22/1025827022.db2.gz BOGMVDSQNLFGOV-UHFFFAOYSA-N -1 0 307.368 -0.361 20 0 DBADRM CNS(=O)(=O)NCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001571095957 1025827303 /nfs/dbraw/zinc/82/73/03/1025827303.db2.gz FGKYVQHNQZEZFZ-VIFPVBQESA-N -1 0 307.372 -0.856 20 0 DBADRM NC(=O)c1ncn(CC(=O)N(C2CC2)C2(C(=O)[O-])CCC2)n1 ZINC001571095930 1025827620 /nfs/dbraw/zinc/82/76/20/1025827620.db2.gz GLGCATJGKXEWJV-UHFFFAOYSA-N -1 0 307.310 -0.625 20 0 DBADRM COC(=O)[C@](C)(CO)NS(=O)(=O)c1occc1C(=O)[O-] ZINC001571097199 1025828437 /nfs/dbraw/zinc/82/84/37/1025828437.db2.gz XHOKCOTZNQPZQQ-JTQLQIEISA-N -1 0 307.280 -0.820 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCNC(=O)C1)c1ccc(O)cc1 ZINC001571096380 1025828598 /nfs/dbraw/zinc/82/85/98/1025828598.db2.gz NKFVUGGKEOWSCC-ZDUSSCGKSA-N -1 0 307.306 -0.934 20 0 DBADRM COC(=O)c1ccc(CC(=O)N2CC[C@](O)(C(=O)[O-])C2)cn1 ZINC001571097555 1025830288 /nfs/dbraw/zinc/83/02/88/1025830288.db2.gz ACMMZGGSHFCCRN-CQSZACIVSA-N -1 0 308.290 -0.541 20 0 DBADRM O=C([O-])c1cnc(NC[C@]23COCCN2C(=O)COC3)cn1 ZINC001571098803 1025830360 /nfs/dbraw/zinc/83/03/60/1025830360.db2.gz ZRYRSOPUJMVNEM-CYBMUJFWSA-N -1 0 308.294 -0.786 20 0 DBADRM O=C([O-])CC1(NC(=O)Nc2n[nH]nc2C(=O)NC2CC2)CC1 ZINC001571098236 1025830658 /nfs/dbraw/zinc/83/06/58/1025830658.db2.gz OXHAHKHYXDDSKH-UHFFFAOYSA-N -1 0 308.298 -0.174 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@]2(O)CCSC2)n[nH]1 ZINC001571097399 1025830801 /nfs/dbraw/zinc/83/08/01/1025830801.db2.gz YWQUAWZAWYFFAS-VIFPVBQESA-N -1 0 307.353 -0.746 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001571098600 1025831472 /nfs/dbraw/zinc/83/14/72/1025831472.db2.gz VTNDZSVLHARFAS-UYXSQOIJSA-N -1 0 308.294 -0.524 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)NC(=O)[O-])c1nnc2c(=O)[nH]ccn21 ZINC001571097706 1025831484 /nfs/dbraw/zinc/83/14/84/1025831484.db2.gz CWQQTGRXIJEYLE-ZCFIWIBFSA-N -1 0 308.298 -0.359 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)c2cn3c(n2)COCC3)CC1 ZINC001571101749 1025832002 /nfs/dbraw/zinc/83/20/02/1025832002.db2.gz GTEKEESMKHPVOQ-GFCCVEGCSA-N -1 0 309.322 -0.289 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001571101576 1025832452 /nfs/dbraw/zinc/83/24/52/1025832452.db2.gz CTSUPUOVGGKEEH-NXEZZACHSA-N -1 0 308.338 -0.379 20 0 DBADRM CC(=O)N1CCCC[C@H]1C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001571101509 1025832727 /nfs/dbraw/zinc/83/27/27/1025832727.db2.gz CSDROPWSWAAYJH-MNOVXSKESA-N -1 0 309.326 -0.752 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)NC1(C(=O)[O-])CC(CO)C1)CC2 ZINC001571101597 1025832851 /nfs/dbraw/zinc/83/28/51/1025832851.db2.gz DAYJCZRLOFEAQK-OPASDULOSA-N -1 0 308.338 -0.509 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N2CCn3ncnc3C2)c1 ZINC001571100398 1025833250 /nfs/dbraw/zinc/83/32/50/1025833250.db2.gz IGLAVRCCXJJZCT-UHFFFAOYSA-N -1 0 309.307 -0.424 20 0 DBADRM C[C@@H](NC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1)C(=O)N(C)C ZINC001571103129 1025833769 /nfs/dbraw/zinc/83/37/69/1025833769.db2.gz XFPLYOPAFJIVOM-SSDOTTSWSA-N -1 0 309.326 -0.307 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1)C(=O)[O-] ZINC001571103133 1025833986 /nfs/dbraw/zinc/83/39/86/1025833986.db2.gz XFZYGRGEXVXLIQ-NXEZZACHSA-N -1 0 309.326 -0.858 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001571102586 1025834410 /nfs/dbraw/zinc/83/44/10/1025834410.db2.gz ONPDAQGWPIIJDS-MNOVXSKESA-N -1 0 308.338 -0.079 20 0 DBADRM Cn1cc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC001571102796 1025834625 /nfs/dbraw/zinc/83/46/25/1025834625.db2.gz RAJVFRMBEVSJHD-VHSXEESVSA-N -1 0 309.322 -0.007 20 0 DBADRM O=C([O-])CC1CC(NC(=O)NCc2nnc3n2CCOC3)C1 ZINC001571103328 1025834942 /nfs/dbraw/zinc/83/49/42/1025834942.db2.gz ZDTHWRPGWKCKQU-UHFFFAOYSA-N -1 0 309.326 -0.139 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001571102727 1025835133 /nfs/dbraw/zinc/83/51/33/1025835133.db2.gz QLAJWNZDKRWAAN-MRVPVSSYSA-N -1 0 309.340 -0.856 20 0 DBADRM CN(C)[C@@H](C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])c1cncn1C ZINC001571106319 1025835798 /nfs/dbraw/zinc/83/57/98/1025835798.db2.gz NKTZGRSUYVUUSO-YUSALJHKSA-N -1 0 310.354 -0.371 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC001571105917 1025836217 /nfs/dbraw/zinc/83/62/17/1025836217.db2.gz FJUZIKMQJJCOOV-SKDRFNHKSA-N -1 0 310.354 -0.256 20 0 DBADRM O=C([O-])c1c(NC(=O)NC[C@@]2(O)CCOC2)nc2n1CCC2 ZINC001571106641 1025836461 /nfs/dbraw/zinc/83/64/61/1025836461.db2.gz TVGQTAVVFCWJPU-ZDUSSCGKSA-N -1 0 310.310 -0.200 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001571105939 1025836707 /nfs/dbraw/zinc/83/67/07/1025836707.db2.gz ANFGDRFQZUFFQP-PELKAZGASA-N -1 0 310.272 -0.023 20 0 DBADRM Cc1nc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c(C(=O)NCCO)n1C ZINC001571105859 1025836977 /nfs/dbraw/zinc/83/69/77/1025836977.db2.gz BYNNCIIEQJDOSQ-JGVFFNPUSA-N -1 0 310.310 -0.890 20 0 DBADRM COC(=O)Cc1occ(C)c1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001571107494 1025837563 /nfs/dbraw/zinc/83/75/63/1025837563.db2.gz BEUNMJUGVYAPBG-CQSZACIVSA-N -1 0 311.290 -0.035 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001571106709 1025837713 /nfs/dbraw/zinc/83/77/13/1025837713.db2.gz VCIBJIJNCVLOCD-YUMQZZPRSA-N -1 0 310.310 -0.734 20 0 DBADRM CC(C)Oc1cnccc1NC(=O)NCC(=O)NCC(=O)[O-] ZINC001571106882 1025837870 /nfs/dbraw/zinc/83/78/70/1025837870.db2.gz WSBSBIZWSFBHCJ-UHFFFAOYSA-N -1 0 310.310 -0.387 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)n1 ZINC001571108194 1025838033 /nfs/dbraw/zinc/83/80/33/1025838033.db2.gz MJLJEEPHRCSPHE-WPRPVWTQSA-N -1 0 311.294 -0.630 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cnc2n1CCOC2)C(=O)[O-] ZINC001571106945 1025838400 /nfs/dbraw/zinc/83/84/00/1025838400.db2.gz XFYARDIANSCSOG-YUMQZZPRSA-N -1 0 310.310 -0.879 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccoc2C2(O)CCOCC2)C1 ZINC001571108388 1025838653 /nfs/dbraw/zinc/83/86/53/1025838653.db2.gz QKPFTQHPBKFPFH-UHFFFAOYSA-N -1 0 311.290 -0.451 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cc(C(=O)[O-])on2)O1 ZINC001571108015 1025838988 /nfs/dbraw/zinc/83/89/88/1025838988.db2.gz IVRBAFWNHLDINF-APPZFPTMSA-N -1 0 311.294 -0.262 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001571111919 1025839321 /nfs/dbraw/zinc/83/93/21/1025839321.db2.gz GSFFDQCXHKGWAW-AMIZOPFISA-N -1 0 312.326 -0.345 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001571111800 1025839485 /nfs/dbraw/zinc/83/94/85/1025839485.db2.gz RKGGEQIYCUJNAM-QMMMGPOBSA-N -1 0 311.335 -0.881 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(Cc2ncnn2CCF)C1 ZINC001571111204 1025839799 /nfs/dbraw/zinc/83/97/99/1025839799.db2.gz GRJCRDYRDDJCLB-ZJUUUORDSA-N -1 0 311.317 -0.731 20 0 DBADRM CCO[C@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])[C@H]1CCOC1 ZINC001571111622 1025840256 /nfs/dbraw/zinc/84/02/56/1025840256.db2.gz CLTSJHMRNCEDJW-DCAQKATOSA-N -1 0 312.326 -0.711 20 0 DBADRM C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)c2ncnn21 ZINC001571112072 1025840352 /nfs/dbraw/zinc/84/03/52/1025840352.db2.gz IYYFMZQSXPJDHB-PHDIDXHHSA-N -1 0 312.311 -0.316 20 0 DBADRM CC(CO)(CO)CNC(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001571111590 1025840524 /nfs/dbraw/zinc/84/05/24/1025840524.db2.gz BSLJQSXNTJGRKK-UHFFFAOYSA-N -1 0 312.326 -0.360 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC001571112242 1025841646 /nfs/dbraw/zinc/84/16/46/1025841646.db2.gz JSISJGCEJIGKQR-UHFFFAOYSA-N -1 0 312.303 -0.087 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCCC(=O)OC ZINC001571112179 1025841785 /nfs/dbraw/zinc/84/17/85/1025841785.db2.gz ZIDLEBAPSHYALA-VIFPVBQESA-N -1 0 311.356 -0.309 20 0 DBADRM C[C@]1(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)CCNC1=O ZINC001571113242 1025841914 /nfs/dbraw/zinc/84/19/14/1025841914.db2.gz XXQCDFNKACBUPU-ZDUSSCGKSA-N -1 0 312.347 -0.129 20 0 DBADRM C[C@@]1(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)CCNC1=O ZINC001571113240 1025842062 /nfs/dbraw/zinc/84/20/62/1025842062.db2.gz XXQCDFNKACBUPU-CYBMUJFWSA-N -1 0 312.347 -0.129 20 0 DBADRM CN1C(=O)N=NC1CNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001571112770 1025842267 /nfs/dbraw/zinc/84/22/67/1025842267.db2.gz RHMWFVARVIXVAF-UHFFFAOYSA-N -1 0 312.307 -0.303 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](CCO)CCO2 ZINC001571114818 1025842275 /nfs/dbraw/zinc/84/22/75/1025842275.db2.gz BESPTCLRYBWFKI-RYUDHWBXSA-N -1 0 312.366 -0.607 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001571112726 1025842303 /nfs/dbraw/zinc/84/23/03/1025842303.db2.gz QUHYKIRFTXBFLV-ZANVPECISA-N -1 0 312.326 -0.489 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001571112528 1025842326 /nfs/dbraw/zinc/84/23/26/1025842326.db2.gz GDGMYAXUSFHAOM-VIFPVBQESA-N -1 0 311.747 -0.504 20 0 DBADRM COCCN(CCC(=O)OC)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001571112124 1025842409 /nfs/dbraw/zinc/84/24/09/1025842409.db2.gz YMTPBJSCDIZEBR-VIFPVBQESA-N -1 0 311.356 -0.452 20 0 DBADRM CNC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1 ZINC001571116910 1025843302 /nfs/dbraw/zinc/84/33/02/1025843302.db2.gz ORCIZUDCAWTDAK-GWOFURMSSA-N -1 0 313.354 -0.215 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)C2N=NC(=O)N2C)C1 ZINC001571118594 1025843602 /nfs/dbraw/zinc/84/36/02/1025843602.db2.gz HMGTTWYQXNIAOY-MADCSZMMSA-N -1 0 313.314 -0.533 20 0 DBADRM CNC(=O)NCC(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001571117155 1025843382 /nfs/dbraw/zinc/84/33/82/1025843382.db2.gz WAIKTCZOPUXICM-UHFFFAOYSA-N -1 0 313.354 -0.476 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001571118500 1025843516 /nfs/dbraw/zinc/84/35/16/1025843516.db2.gz DMLOLWPCLPYXGT-BDAKNGLRSA-N -1 0 313.310 -0.933 20 0 DBADRM CC(C)(CS(C)(=O)=O)NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001571116498 1025843654 /nfs/dbraw/zinc/84/36/54/1025843654.db2.gz GEYMDDBHSAUDQU-UHFFFAOYSA-N -1 0 313.397 -0.406 20 0 DBADRM COC(=O)C12CC(C(=O)N[C@H](CC3OCCO3)C(=O)[O-])(C1)C2 ZINC001571119017 1025844989 /nfs/dbraw/zinc/84/49/89/1025844989.db2.gz QIOBGWZLEOCPCW-UWEQVVMYSA-N -1 0 313.306 -0.338 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCO1 ZINC001571121990 1025845514 /nfs/dbraw/zinc/84/55/14/1025845514.db2.gz AKHZQOVUKADWEE-AXFHLTTASA-N -1 0 314.338 -0.770 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001571118931 1025845631 /nfs/dbraw/zinc/84/56/31/1025845631.db2.gz MYZANQWDYMLXRF-NSHDSACASA-N -1 0 313.339 -0.562 20 0 DBADRM O=C([O-])C[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C1CCCC1 ZINC001571118909 1025845657 /nfs/dbraw/zinc/84/56/57/1025845657.db2.gz MEJXNUXVWDVBSR-FMCLSXCISA-N -1 0 313.350 -0.451 20 0 DBADRM COC(=O)C12CC(C(=O)N[C@@H](CC3OCCO3)C(=O)[O-])(C1)C2 ZINC001571119016 1025845891 /nfs/dbraw/zinc/84/58/91/1025845891.db2.gz QIOBGWZLEOCPCW-AHOQVSSZSA-N -1 0 313.306 -0.338 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001571123284 1025846796 /nfs/dbraw/zinc/84/67/96/1025846796.db2.gz NJCGTTQTMOOOGQ-ZOTTZIKWSA-N -1 0 314.367 -0.362 20 0 DBADRM NC(=O)N[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001571120254 1025846401 /nfs/dbraw/zinc/84/64/01/1025846401.db2.gz RFSNRSJVPKABPX-QMMMGPOBSA-N -1 0 314.323 -0.789 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)C1(N2CCOCC2)CC1 ZINC001571122903 1025846944 /nfs/dbraw/zinc/84/69/44/1025846944.db2.gz JCZTUGKNKYXEJR-SNVBAGLBSA-N -1 0 314.338 -0.816 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001571123264 1025847410 /nfs/dbraw/zinc/84/74/10/1025847410.db2.gz OYUVATKWGBFHJP-SECBINFHSA-N -1 0 314.385 -0.740 20 0 DBADRM COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CC[C@](O)(C(=O)[O-])C2)C1 ZINC001571123285 1025847834 /nfs/dbraw/zinc/84/78/34/1025847834.db2.gz PNMKDDIHUNVXKN-IMSIIYSGSA-N -1 0 315.322 -0.607 20 0 DBADRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1S(C)(=O)=O ZINC001571125841 1025848721 /nfs/dbraw/zinc/84/87/21/1025848721.db2.gz MVJCQPQHPJXOFZ-KCJUWKMLSA-N -1 0 315.347 -0.038 20 0 DBADRM CCC[C@@H](NC(=O)CNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC001571126319 1025849112 /nfs/dbraw/zinc/84/91/12/1025849112.db2.gz QJVHLAKHNOVBSC-SNVBAGLBSA-N -1 0 315.351 -0.271 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(Cc2cn(-c3ccccc3)nn2)CC1=O ZINC001571126629 1025849279 /nfs/dbraw/zinc/84/92/79/1025849279.db2.gz UIFUVBYUHJOCAQ-CYBMUJFWSA-N -1 0 315.333 -0.006 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCCN1Cc1cnc(C(=O)[O-])cn1 ZINC001571124152 1025849383 /nfs/dbraw/zinc/84/93/83/1025849383.db2.gz ZXEBPLAGZRLZPJ-SNVBAGLBSA-N -1 0 314.367 -0.182 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCC(=O)NCC(F)F)c1=O ZINC001571130860 1025850538 /nfs/dbraw/zinc/85/05/38/1025850538.db2.gz LLQOGPKMADNJQF-UHFFFAOYSA-N -1 0 317.248 -0.956 20 0 DBADRM Cn1cnc(C(=O)N2CC[C@@H](Nc3ccnc(C(=O)[O-])n3)C2)c1 ZINC001571129150 1025850552 /nfs/dbraw/zinc/85/05/52/1025850552.db2.gz ZVCBDOIKMSZZKI-SECBINFHSA-N -1 0 316.321 -0.343 20 0 DBADRM Cn1cnc(C(=O)N[C@@H]2CCN(c3ncc(C(=O)[O-])cn3)C2)c1 ZINC001571127960 1025850621 /nfs/dbraw/zinc/85/06/21/1025850621.db2.gz FUFKXIUIFWNFBE-SNVBAGLBSA-N -1 0 316.321 -0.083 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCC(=O)NCCC(=O)[O-])nn1 ZINC001571131283 1025850650 /nfs/dbraw/zinc/85/06/50/1025850650.db2.gz ADHPXXWOEXPPCO-UHFFFAOYSA-N -1 0 316.339 -0.956 20 0 DBADRM O=C([O-])c1cc(NCCS(=O)(=O)N2CCOCC2)ncn1 ZINC001571131289 1025850688 /nfs/dbraw/zinc/85/06/88/1025850688.db2.gz AFBGOGOYZBVVAZ-UHFFFAOYSA-N -1 0 316.339 -0.751 20 0 DBADRM C[C@@H]1NC(=O)[C@H](C)N(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)[C@H]1C ZINC001571126822 1025850777 /nfs/dbraw/zinc/85/07/77/1025850777.db2.gz VXDPTJVHBAUTAX-FXQIFTODSA-N -1 0 315.351 -0.001 20 0 DBADRM NS(=O)(=O)N1CCC(NC(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001571131345 1025850899 /nfs/dbraw/zinc/85/08/99/1025850899.db2.gz CTHLOZRUUCLDSM-UHFFFAOYSA-N -1 0 316.339 -0.889 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(F)(F)F ZINC001571130999 1025850924 /nfs/dbraw/zinc/85/09/24/1025850924.db2.gz OOPFPXJDEVWIMB-SSDOTTSWSA-N -1 0 317.245 -0.301 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])n1 ZINC001571130869 1025851012 /nfs/dbraw/zinc/85/10/12/1025851012.db2.gz LUEXOBKGDLSUGY-LLVKDONJSA-N -1 0 317.305 -0.410 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cnc2nccnc2c1)C(=O)[O-] ZINC001571131146 1025851307 /nfs/dbraw/zinc/85/13/07/1025851307.db2.gz VDCYJCZLAONDSG-YUMQZZPRSA-N -1 0 317.305 -0.268 20 0 DBADRM CN([C@@]1(CO)CCOC1)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001571128879 1025851698 /nfs/dbraw/zinc/85/16/98/1025851698.db2.gz SLZHKGZTSCQEBW-GFCCVEGCSA-N -1 0 316.335 -0.448 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1C(=O)[O-] ZINC001571128897 1025851712 /nfs/dbraw/zinc/85/17/12/1025851712.db2.gz SSNDHJITGFHGKS-UHFFFAOYSA-N -1 0 316.335 -0.240 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@@H]1CCc2ncncc2C1 ZINC001571128598 1025851838 /nfs/dbraw/zinc/85/18/38/1025851838.db2.gz NSKVTOLDQVCYNR-SKDRFNHKSA-N -1 0 316.321 -0.557 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)c1ccc(C(=O)[O-])cn1)C(N)=O ZINC001571130442 1025851857 /nfs/dbraw/zinc/85/18/57/1025851857.db2.gz CWKNUQWBXLDSHZ-AWEZNQCLSA-N -1 0 317.305 -0.350 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)c1ccc(NC(=O)[O-])cc1 ZINC001571128003 1025851983 /nfs/dbraw/zinc/85/19/83/1025851983.db2.gz HTTARSOKGLWBPP-JTQLQIEISA-N -1 0 316.335 -0.088 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(F)c(O)c1 ZINC001571131047 1025852095 /nfs/dbraw/zinc/85/20/95/1025852095.db2.gz QGAYCZSGCFNOJG-VIFPVBQESA-N -1 0 317.294 -0.145 20 0 DBADRM CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1=O ZINC001571131844 1025852805 /nfs/dbraw/zinc/85/28/05/1025852805.db2.gz VMJJLMPRUZTLEJ-ZETCQYMHSA-N -1 0 316.339 -0.603 20 0 DBADRM CN(CCNC(=O)N1CCC(C(=O)NCCO)CC1)C(=O)[O-] ZINC001571131428 1025852885 /nfs/dbraw/zinc/85/28/85/1025852885.db2.gz GHPZHRHHWCATJI-UHFFFAOYSA-N -1 0 316.358 -0.874 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CSC[C@H]2C(=O)N(C)C)O[C@H]1C(=O)[O-] ZINC001571131794 1025853105 /nfs/dbraw/zinc/85/31/05/1025853105.db2.gz UHVJTAXLYJZBBN-UTINFBMNSA-N -1 0 316.379 -0.146 20 0 DBADRM CO[C@H]1COCC[C@H]1N(C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571131693 1025853120 /nfs/dbraw/zinc/85/31/20/1025853120.db2.gz PTIRTNZMTYBUFJ-WISYIIOYSA-N -1 0 316.354 -0.079 20 0 DBADRM Cn1nc(NC(=O)CCN2CCCS2(=O)=O)cc1C(=O)[O-] ZINC001571131919 1025853471 /nfs/dbraw/zinc/85/34/71/1025853471.db2.gz YWRAJVGPXZKJSP-UHFFFAOYSA-N -1 0 316.339 -0.518 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])[C@@H]1OC ZINC001571131491 1025853902 /nfs/dbraw/zinc/85/39/02/1025853902.db2.gz IGHQFXMIQYHSFI-OOCWMUITSA-N -1 0 316.354 -0.032 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)N3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC001571131346 1025853951 /nfs/dbraw/zinc/85/39/51/1025853951.db2.gz CUKJGTQNHJFNKY-DBIOUOCHSA-N -1 0 316.379 -0.074 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001571131606 1025853975 /nfs/dbraw/zinc/85/39/75/1025853975.db2.gz MHQQXIQDBVEZQI-VWYCJHECSA-N -1 0 316.354 -0.252 20 0 DBADRM CCN1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1=O ZINC001571131488 1025854011 /nfs/dbraw/zinc/85/40/11/1025854011.db2.gz IGEYZGMKGVLFFT-UHFFFAOYSA-N -1 0 316.339 -0.731 20 0 DBADRM COC[C@@](C)(NC(=O)CC[C@@H]1C[C@H](C(=O)OC)CO1)C(=O)[O-] ZINC001571133353 1025854426 /nfs/dbraw/zinc/85/44/26/1025854426.db2.gz OPGBXEKJKKZFQO-IMSIIYSGSA-N -1 0 317.338 -0.049 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 ZINC001571132985 1025854446 /nfs/dbraw/zinc/85/44/46/1025854446.db2.gz DWKUARBINYGEAD-BBBLOLIVSA-N -1 0 317.367 -0.721 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C2=CS(=O)(=O)CCC2)CC1 ZINC001571133208 1025854674 /nfs/dbraw/zinc/85/46/74/1025854674.db2.gz JPKNBOJPLZXVNE-LLVKDONJSA-N -1 0 317.363 -0.237 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001571132911 1025854852 /nfs/dbraw/zinc/85/48/52/1025854852.db2.gz HMILFFVJOOEOIY-LBPRGKRZSA-N -1 0 317.319 -0.434 20 0 DBADRM Cn1nncc1C(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001571133147 1025855035 /nfs/dbraw/zinc/85/50/35/1025855035.db2.gz KXMMPZWMGGVKEM-VIFPVBQESA-N -1 0 317.309 -0.370 20 0 DBADRM CCOC(=O)[C@@](C)(O)CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001571132943 1025855060 /nfs/dbraw/zinc/85/50/60/1025855060.db2.gz IDSPTZLUOGTKPU-RBZYPMLTSA-N -1 0 317.338 -0.313 20 0 DBADRM COC[C@](C)(NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C(=O)OC ZINC001571133356 1025855744 /nfs/dbraw/zinc/85/57/44/1025855744.db2.gz OQDFHHFYUUCHIU-RBZYPMLTSA-N -1 0 317.338 -0.049 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001571133439 1025855797 /nfs/dbraw/zinc/85/57/97/1025855797.db2.gz NZKOICTWHWUSSW-MWLCHTKSSA-N -1 0 317.367 -0.419 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)Cn1ncn3nccc3c1=O)C2 ZINC001571133717 1025856875 /nfs/dbraw/zinc/85/68/75/1025856875.db2.gz WBDVVKZBAKYPPF-ITMYJUKJSA-N -1 0 317.305 -0.740 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1ccc2c(cc[nH]c2=O)c1 ZINC001571138466 1025856929 /nfs/dbraw/zinc/85/69/29/1025856929.db2.gz XANMEGGRAOQVJN-UHFFFAOYSA-N -1 0 318.289 -0.150 20 0 DBADRM O=C([O-])c1nccc(NC2CCN(C(=O)c3cnon3)CC2)n1 ZINC001571137372 1025857051 /nfs/dbraw/zinc/85/70/51/1025857051.db2.gz FCDOAJDQOXNQOS-UHFFFAOYSA-N -1 0 318.293 -0.304 20 0 DBADRM COC1(c2cnnn2C)CN(S(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC001571137605 1025857404 /nfs/dbraw/zinc/85/74/04/1025857404.db2.gz INHOMTGQWWHQKD-QMMMGPOBSA-N -1 0 318.355 -0.977 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](F)C(=O)[O-])cc1 ZINC001571138617 1025857530 /nfs/dbraw/zinc/85/75/30/1025857530.db2.gz CDZOZENVZFBJIM-JTQLQIEISA-N -1 0 318.326 -0.188 20 0 DBADRM Cn1nncc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001571133932 1025857594 /nfs/dbraw/zinc/85/75/94/1025857594.db2.gz ZJBODUTVGIXZMM-OCAPTIKFSA-N -1 0 317.309 -0.902 20 0 DBADRM CC1(C)OCC(NC(=O)NCCC(=O)NCCC(=O)[O-])CO1 ZINC001571133723 1025857664 /nfs/dbraw/zinc/85/76/64/1025857664.db2.gz WDYRUJLIDAZCTR-UHFFFAOYSA-N -1 0 317.342 -0.582 20 0 DBADRM O=C([O-])c1nccc(N2CCC(NC(=O)c3cn[nH]n3)CC2)n1 ZINC001571133869 1025857716 /nfs/dbraw/zinc/85/77/16/1025857716.db2.gz YWEMMDIPYSOZFU-UHFFFAOYSA-N -1 0 317.309 -0.308 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001571133814 1025857748 /nfs/dbraw/zinc/85/77/48/1025857748.db2.gz XNXJDDTZAIDEHZ-RKDXNWHRSA-N -1 0 317.342 -0.454 20 0 DBADRM COC(=O)[C@H](COC(C)C)N(C)CCC(=O)N(C)CC(=O)[O-] ZINC001571137858 1025857795 /nfs/dbraw/zinc/85/77/95/1025857795.db2.gz NKXVDFQHAKYPLR-NSHDSACASA-N -1 0 318.370 -0.182 20 0 DBADRM CN(C)C1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CCC1 ZINC001571137974 1025857994 /nfs/dbraw/zinc/85/79/94/1025857994.db2.gz QJLQEQWXJJYMOG-JOYOIKCWSA-N -1 0 318.395 -0.525 20 0 DBADRM O=C([O-])C1(NC(=O)[C@H]2CNC(=O)c3ccccc32)CC(CO)C1 ZINC001571140863 1025858354 /nfs/dbraw/zinc/85/83/54/1025858354.db2.gz TVSRVLGRHGHHSL-WAUNPFCKSA-N -1 0 318.329 -0.145 20 0 DBADRM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])C1 ZINC001571138940 1025858536 /nfs/dbraw/zinc/85/85/36/1025858536.db2.gz HRNZDIMMRATZTB-IEBDPFPHSA-N -1 0 318.337 -0.063 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC001571139432 1025858846 /nfs/dbraw/zinc/85/88/46/1025858846.db2.gz LBKAFTYDDNDNGZ-SECBINFHSA-N -1 0 318.351 -0.246 20 0 DBADRM Cn1nc(NC(=O)N2CCS(=O)(=O)CCO2)cc1C(=O)[O-] ZINC001571140070 1025858960 /nfs/dbraw/zinc/85/89/60/1025858960.db2.gz OOZUJFIQWKYBKN-UHFFFAOYSA-N -1 0 318.311 -0.688 20 0 DBADRM Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001571140938 1025860594 /nfs/dbraw/zinc/86/05/94/1025860594.db2.gz VRLYYENWHFCQOB-YTWAJWBKSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1nc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[C@H]4C(=O)[O-])C[C@H]32)co1 ZINC001571142993 1025860913 /nfs/dbraw/zinc/86/09/13/1025860913.db2.gz HAGACBGRBBVONW-KUNJHIDRSA-N -1 0 319.317 -0.110 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@@H]4C(=O)[O-])C[C@H]32)no1 ZINC001571142870 1025860916 /nfs/dbraw/zinc/86/09/16/1025860916.db2.gz BPDPVQOWKIWNTR-ULHKAFAUSA-N -1 0 319.317 -0.110 20 0 DBADRM Cc1nc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@@H]4C(=O)[O-])C[C@H]32)co1 ZINC001571142996 1025861194 /nfs/dbraw/zinc/86/11/94/1025861194.db2.gz HAGACBGRBBVONW-ULHKAFAUSA-N -1 0 319.317 -0.110 20 0 DBADRM CCO[C@@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)[C@H]1OC ZINC001571143066 1025861486 /nfs/dbraw/zinc/86/14/86/1025861486.db2.gz KAPCIJCILHKGSG-SKWCMTHISA-N -1 0 319.339 -0.421 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[nH]c2=O ZINC001571142912 1025861557 /nfs/dbraw/zinc/86/15/57/1025861557.db2.gz CXSZEPSPKNXRMW-OCAPTIKFSA-N -1 0 319.321 -0.019 20 0 DBADRM Cc1conc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001571143016 1025861670 /nfs/dbraw/zinc/86/16/70/1025861670.db2.gz HWEMOKWLTHEVJP-OFKSJOQMSA-N -1 0 319.317 -0.110 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@H]2COCCN2CC(F)F)n[nH]1 ZINC001571142218 1025861712 /nfs/dbraw/zinc/86/17/12/1025861712.db2.gz YQQQALSJGJZYLJ-ZCFIWIBFSA-N -1 0 319.268 -0.664 20 0 DBADRM Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001571140933 1025861762 /nfs/dbraw/zinc/86/17/62/1025861762.db2.gz VRLYYENWHFCQOB-GWOFURMSSA-N -1 0 318.333 -0.117 20 0 DBADRM Cn1nccc1[C@H](NCc1nc2c(c(=O)[nH]1)COCC2)C(=O)[O-] ZINC001571143391 1025862606 /nfs/dbraw/zinc/86/26/06/1025862606.db2.gz VXIMRNJQLGRJPO-LBPRGKRZSA-N -1 0 319.321 -0.096 20 0 DBADRM Cc1ocnc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C[C@H]21 ZINC001571143072 1025862653 /nfs/dbraw/zinc/86/26/53/1025862653.db2.gz KEVFBOIICGVASB-OFKSJOQMSA-N -1 0 319.317 -0.110 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@@H]1CCCOCC1)C(=O)[O-] ZINC001571144055 1025863073 /nfs/dbraw/zinc/86/30/73/1025863073.db2.gz DSAAKFYHHSOQPD-GBIKHYSHSA-N -1 0 319.379 -0.193 20 0 DBADRM Cn1nnc2c1CC[C@H](NC(=O)Nc1cc(C(=O)[O-])nn1C)C2 ZINC001571143204 1025863159 /nfs/dbraw/zinc/86/31/59/1025863159.db2.gz ODMGEWHRYJRGCR-ZETCQYMHSA-N -1 0 319.325 -0.074 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1ccc(OC)cc1C(=O)[O-] ZINC001571143284 1025863245 /nfs/dbraw/zinc/86/32/45/1025863245.db2.gz REWUNGMEZIOQRH-QMMMGPOBSA-N -1 0 319.335 -0.321 20 0 DBADRM CN(C(=O)CC1CS(=O)(=O)C1)[C@H](COC1CCC1)C(=O)[O-] ZINC001571143935 1025863652 /nfs/dbraw/zinc/86/36/52/1025863652.db2.gz BIJGVXIMCAWWAW-LLVKDONJSA-N -1 0 319.379 -0.098 20 0 DBADRM Cc1ocnc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C[C@H]21 ZINC001571143073 1025863719 /nfs/dbraw/zinc/86/37/19/1025863719.db2.gz KEVFBOIICGVASB-OMHSBUABSA-N -1 0 319.317 -0.110 20 0 DBADRM COc1cccc([C@@H](O)C(=O)N[C@H](Cn2cncn2)C(=O)[O-])c1 ZINC001571145583 1025864620 /nfs/dbraw/zinc/86/46/20/1025864620.db2.gz CQKTVKFCLKZJMJ-VXGBXAGGSA-N -1 0 320.305 -0.410 20 0 DBADRM CS(=O)(=O)CC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001571144606 1025865412 /nfs/dbraw/zinc/86/54/12/1025865412.db2.gz QAXDLFJRXPCPGY-ZDUSSCGKSA-N -1 0 319.379 -0.361 20 0 DBADRM Cc1cc(=O)[nH]c(C(C)(C)NC(=O)Cn2cc(C(=O)[O-])nn2)n1 ZINC001571145963 1025866343 /nfs/dbraw/zinc/86/63/43/1025866343.db2.gz PBZMIOMOYBIAKH-UHFFFAOYSA-N -1 0 320.309 -0.168 20 0 DBADRM Cc1ccn(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001571146485 1025866387 /nfs/dbraw/zinc/86/63/87/1025866387.db2.gz ZHSCMTUWRKTBKU-WRWGMCAJSA-N -1 0 320.349 -0.324 20 0 DBADRM CCn1nc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)ccc1=O ZINC001571146156 1025866411 /nfs/dbraw/zinc/86/64/11/1025866411.db2.gz SAUZGHQFMSWMEA-CQSZACIVSA-N -1 0 320.305 -0.291 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)OC)cn1C)C(=O)[O-] ZINC001571145897 1025866568 /nfs/dbraw/zinc/86/65/68/1025866568.db2.gz NUNOGSUGCLWHMG-QMMMGPOBSA-N -1 0 320.323 -0.810 20 0 DBADRM CCc1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@@H]2C(=O)[O-])o1 ZINC001571146437 1025866580 /nfs/dbraw/zinc/86/65/80/1025866580.db2.gz YASIAWFGZWPTIK-PXSXMVNOSA-N -1 0 320.349 -0.101 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1Nc1ccnc(C(=O)[O-])n1 ZINC001571145706 1025866702 /nfs/dbraw/zinc/86/67/02/1025866702.db2.gz HNTWDJRFEXGJFU-GMTAPVOTSA-N -1 0 320.349 -0.108 20 0 DBADRM CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NC[C@H](O)C(=O)[O-] ZINC001571146172 1025866903 /nfs/dbraw/zinc/86/69/03/1025866903.db2.gz SOMXMQUWCXVYAD-IUCAKERBSA-N -1 0 320.342 -0.522 20 0 DBADRM Cn1cc(C(N)=O)c(NC(=O)CCCn2ccc(C(=O)[O-])n2)n1 ZINC001571145758 1025866972 /nfs/dbraw/zinc/86/69/72/1025866972.db2.gz JHLSCTXHNWIZEY-UHFFFAOYSA-N -1 0 320.309 -0.167 20 0 DBADRM Cn1nnc2cc(C(=O)N[C@H](CC3OCCO3)C(=O)[O-])ccc21 ZINC001571145895 1025867025 /nfs/dbraw/zinc/86/70/25/1025867025.db2.gz NRYQJMKBXOFVRB-SNVBAGLBSA-N -1 0 320.305 -0.086 20 0 DBADRM Cn1cnc(C(=O)NC2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)c1 ZINC001571146168 1025867187 /nfs/dbraw/zinc/86/71/87/1025867187.db2.gz SNBBTBFTYHJBKE-MNOVXSKESA-N -1 0 320.349 -0.138 20 0 DBADRM CCc1nn(C)c(C(N)=O)c1NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001571145996 1025867372 /nfs/dbraw/zinc/86/73/72/1025867372.db2.gz QEKUMKQAMQENMB-UHFFFAOYSA-N -1 0 320.309 -0.385 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001571149235 1025867964 /nfs/dbraw/zinc/86/79/64/1025867964.db2.gz QIUNUFCAWNVNAT-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC([C@H]2COC(=O)N2)CC1)C(=O)[O-] ZINC001571149055 1025868047 /nfs/dbraw/zinc/86/80/47/1025868047.db2.gz KTKRVHACGIBAEQ-PSASIEDQSA-N -1 0 320.367 -0.143 20 0 DBADRM CC(C)N(C[C@@H](O)CO)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001571149390 1025868522 /nfs/dbraw/zinc/86/85/22/1025868522.db2.gz WOUOLNCOBPFWSY-SNVBAGLBSA-N -1 0 320.367 -0.524 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(Cc2nnnn2C2CC2)C1 ZINC001571149413 1025869130 /nfs/dbraw/zinc/86/91/30/1025869130.db2.gz XFTONRUOWCYYEY-MNOVXSKESA-N -1 0 320.353 -0.723 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCOC3)C2)n1 ZINC001571149448 1025868882 /nfs/dbraw/zinc/86/88/82/1025868882.db2.gz XWSKLBMKRWUETM-MXWKQRLJSA-N -1 0 320.349 -0.060 20 0 DBADRM COCCN(C)CCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001571149344 1025869209 /nfs/dbraw/zinc/86/92/09/1025869209.db2.gz UWDVCDJANBPQJL-UHFFFAOYSA-N -1 0 320.371 -0.727 20 0 DBADRM CC[C@H]1COCCN1CCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001571149546 1025869269 /nfs/dbraw/zinc/86/92/69/1025869269.db2.gz AYURPPCAYCINFZ-SDDRHHMPSA-N -1 0 320.411 -0.120 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001571148924 1025869357 /nfs/dbraw/zinc/86/93/57/1025869357.db2.gz GQFCZSHGPFHHRC-RYUDHWBXSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)Cn2cncn2)C1 ZINC001571150379 1025870359 /nfs/dbraw/zinc/87/03/59/1025870359.db2.gz HRBCHNKLLOKTRJ-DBIOUOCHSA-N -1 0 321.337 -0.990 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001571152863 1025872280 /nfs/dbraw/zinc/87/22/80/1025872280.db2.gz HTQSRBJFSPBUCQ-VXGBXAGGSA-N -1 0 322.317 -0.069 20 0 DBADRM C[C@@H](O)[C@H](O)CNC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001571152760 1025872897 /nfs/dbraw/zinc/87/28/97/1025872897.db2.gz FBJMGFMDNIPVOA-PRHODGIISA-N -1 0 322.321 -0.016 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC001571152857 1025873004 /nfs/dbraw/zinc/87/30/04/1025873004.db2.gz HKJDMLOTBOMZHB-SNVBAGLBSA-N -1 0 322.321 -0.450 20 0 DBADRM CCn1cc(-c2nn(C)cc2C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cn1 ZINC001571151419 1025873072 /nfs/dbraw/zinc/87/30/72/1025873072.db2.gz VYOXPWOVXHAPSA-KCJUWKMLSA-N -1 0 321.337 -0.133 20 0 DBADRM CN1CC[C@@H](NC(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)C1=O ZINC001571151386 1025873151 /nfs/dbraw/zinc/87/31/51/1025873151.db2.gz VPZBHHMSYFDHTA-DTWKUNHWSA-N -1 0 321.337 -0.054 20 0 DBADRM O=C([O-])c1cnc(N[C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)nc1 ZINC001571154382 1025873987 /nfs/dbraw/zinc/87/39/87/1025873987.db2.gz XMBIBOGRVRZREX-QWRGUYRKSA-N -1 0 322.321 -0.397 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(CC(=O)Nc2ccon2)C1 ZINC001571154082 1025874304 /nfs/dbraw/zinc/87/43/04/1025874304.db2.gz UKKCYASCMCTHJO-UWVGGRQHSA-N -1 0 322.321 -0.618 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cnn3c2NCCC3)C[C@H]1C(=O)[O-] ZINC001571153730 1025874463 /nfs/dbraw/zinc/87/44/63/1025874463.db2.gz QJQLLORZSPMNGP-ZJUUUORDSA-N -1 0 322.321 -0.356 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001571154038 1025874512 /nfs/dbraw/zinc/87/45/12/1025874512.db2.gz SJTHBWOEYUFGEX-VDDIYKPWSA-N -1 0 322.321 -0.632 20 0 DBADRM COC(=O)c1ccccc1NC(=O)CN1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001571154063 1025874709 /nfs/dbraw/zinc/87/47/09/1025874709.db2.gz TZTFWOWJKWXQLJ-BXKDBHETSA-N -1 0 322.317 -0.069 20 0 DBADRM CNS(=O)(=O)CCNC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001571154014 1025874723 /nfs/dbraw/zinc/87/47/23/1025874723.db2.gz GYMOHKSOYYAGBW-UHFFFAOYSA-N -1 0 321.399 -0.130 20 0 DBADRM C[C@@](O)(C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])c1ccc(F)cc1 ZINC001571154352 1025874737 /nfs/dbraw/zinc/87/47/37/1025874737.db2.gz WQNFINYRSSPWDZ-FZMZJTMJSA-N -1 0 322.296 -0.106 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCCC1 ZINC001571154723 1025874874 /nfs/dbraw/zinc/87/48/74/1025874874.db2.gz UDRBFYMBFXGAKT-JTQLQIEISA-N -1 0 321.399 -0.180 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001571155672 1025874919 /nfs/dbraw/zinc/87/49/19/1025874919.db2.gz CRCDATALLAELJV-LURJTMIESA-N -1 0 322.364 -0.027 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)CCC2CCOCC2)CC(CO)C1 ZINC001571154753 1025875164 /nfs/dbraw/zinc/87/51/64/1025875164.db2.gz UWFFFJJEBVYNFV-UHFFFAOYSA-N -1 0 321.395 -0.052 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c(=O)n1 ZINC001571158410 1025875566 /nfs/dbraw/zinc/87/55/66/1025875566.db2.gz LXSMBHOXBXKWSC-ZDUSSCGKSA-N -1 0 323.349 -0.456 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001571156114 1025875598 /nfs/dbraw/zinc/87/55/98/1025875598.db2.gz KJBLKGJIZPXWCE-VHSXEESVSA-N -1 0 322.383 -0.594 20 0 DBADRM Cc1cn2c(ncc(C(=O)N3CC[C@](O)(C(=O)[O-])C3)c2=O)s1 ZINC001571157984 1025875680 /nfs/dbraw/zinc/87/56/80/1025875680.db2.gz DXQSMCLMCPSAGG-CYBMUJFWSA-N -1 0 323.330 -0.274 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001571156360 1025875739 /nfs/dbraw/zinc/87/57/39/1025875739.db2.gz TVIAWMSHFAVPQZ-UHFFFAOYSA-N -1 0 322.383 -0.747 20 0 DBADRM CCO[C@@H]1COC[C@H]1NS(=O)(=O)c1scnc1C(=O)[O-] ZINC001571155845 1025876004 /nfs/dbraw/zinc/87/60/04/1025876004.db2.gz GBXDWUHRHIYPPW-RNFRBKRXSA-N -1 0 322.364 -0.077 20 0 DBADRM COCC(=O)NCCC(=O)NC[C@H](Cc1ccncc1)C(=O)[O-] ZINC001571158376 1025876055 /nfs/dbraw/zinc/87/60/55/1025876055.db2.gz LFVJJHWFGSPFEU-LBPRGKRZSA-N -1 0 323.349 -0.406 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3CCOCC3)C[C@H]21 ZINC001571155900 1025876351 /nfs/dbraw/zinc/87/63/51/1025876351.db2.gz HNCMESXLEZRTLA-JZRPKSSGSA-N -1 0 322.361 -0.293 20 0 DBADRM CN(Cc1nnn(C)n1)C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571156200 1025876404 /nfs/dbraw/zinc/87/64/04/1025876404.db2.gz NDIAEPYZARQYQT-GHMZBOCLSA-N -1 0 322.369 -0.646 20 0 DBADRM COC1(CS(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)CCOCC1 ZINC001571158408 1025876705 /nfs/dbraw/zinc/87/67/05/1025876705.db2.gz LXFHIBKKECTFSB-LBPRGKRZSA-N -1 0 323.367 -0.967 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)[C@H]1CCC[C@H]1OC ZINC001571158104 1025877023 /nfs/dbraw/zinc/87/70/23/1025877023.db2.gz GSSQQJSXHFPPQA-BBBLOLIVSA-N -1 0 323.367 -0.120 20 0 DBADRM O=C(CN1CCCC1=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001571157755 1025877098 /nfs/dbraw/zinc/87/70/98/1025877098.db2.gz BMOYKPZAXMFIHJ-YTWAJWBKSA-N -1 0 323.349 -0.907 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])c(F)c1 ZINC001571159879 1025877681 /nfs/dbraw/zinc/87/76/81/1025877681.db2.gz OJUANLGTLVYXLG-CYBMUJFWSA-N -1 0 323.284 -0.325 20 0 DBADRM CNC(=O)c1ccc(OC)c(NC(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001571160468 1025878553 /nfs/dbraw/zinc/87/85/53/1025878553.db2.gz ZFHUQRRYZLPVOV-UHFFFAOYSA-N -1 0 323.305 -0.282 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NS(=O)(=O)C[C@@H]1CCOC1 ZINC001571158425 1025878709 /nfs/dbraw/zinc/87/87/09/1025878709.db2.gz MDVYBKMAEXYJGV-ZJUUUORDSA-N -1 0 323.367 -0.451 20 0 DBADRM CC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CCN(CC(=O)NC2CC2)CC1 ZINC001571160794 1025878762 /nfs/dbraw/zinc/87/87/62/1025878762.db2.gz HEJWUIOLRJGXKL-NWDGAFQWSA-N -1 0 323.393 -0.044 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)CNC(=O)c1ncccc1O ZINC001571159205 1025878930 /nfs/dbraw/zinc/87/89/30/1025878930.db2.gz CHBXUKQCQDNFPB-PRHODGIISA-N -1 0 323.305 -0.877 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CCN(CC(=O)N2CCC2)CC1 ZINC001571160704 1025879150 /nfs/dbraw/zinc/87/91/50/1025879150.db2.gz FJWGAWRBJHKFRH-OLZOCXBDSA-N -1 0 323.393 -0.138 20 0 DBADRM O=C([O-])[C@@H](CC1CC1)NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001571159604 1025879341 /nfs/dbraw/zinc/87/93/41/1025879341.db2.gz KIFWVRFBYKVYCB-RKDXNWHRSA-N -1 0 323.309 -0.630 20 0 DBADRM CCn1cc(CNC(=O)N2CCC(C(=O)[O-])CC2)c(=O)[nH]c1=O ZINC001571163051 1025879739 /nfs/dbraw/zinc/87/97/39/1025879739.db2.gz DSGMDBROWIVVFQ-UHFFFAOYSA-N -1 0 324.337 -0.025 20 0 DBADRM CCOC(=O)c1c(C)n[nH]c1CN1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001571163836 1025880171 /nfs/dbraw/zinc/88/01/71/1025880171.db2.gz SNPIUNJIUHFUFW-JTQLQIEISA-N -1 0 324.337 -0.378 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CCCOC1 ZINC001571162977 1025880417 /nfs/dbraw/zinc/88/04/17/1025880417.db2.gz AVIGNJQWHHQYSR-GYSYKLTISA-N -1 0 324.337 -0.272 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001571164928 1025882053 /nfs/dbraw/zinc/88/20/53/1025882053.db2.gz HXKDFWXMSVLZMA-WPRPVWTQSA-N -1 0 324.341 -0.557 20 0 DBADRM CC/C=C(\C)C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001572319507 1026334568 /nfs/dbraw/zinc/33/45/68/1026334568.db2.gz BWDCZTJRSRUJJK-VHODGJRUSA-N -1 0 310.354 -0.013 20 0 DBADRM CC(C)=CC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001572375380 1026374021 /nfs/dbraw/zinc/37/40/21/1026374021.db2.gz LOLJSYIMCKIVQN-BDAKNGLRSA-N -1 0 321.337 -0.032 20 0 DBADRM CC(C)=CC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001572375383 1026374551 /nfs/dbraw/zinc/37/45/51/1026374551.db2.gz LOLJSYIMCKIVQN-RKDXNWHRSA-N -1 0 321.337 -0.032 20 0 DBADRM C/C=C(/C)C(=O)NC1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001572562273 1026430644 /nfs/dbraw/zinc/43/06/44/1026430644.db2.gz KJPNBLAGFHDUKD-DAXSKMNVSA-N -1 0 321.337 -0.032 20 0 DBADRM CC(=O)NCCN(C(=O)c1cc2ncccn2n1)[C@@H](C)C(=O)[O-] ZINC001573348509 1026552193 /nfs/dbraw/zinc/55/21/93/1026552193.db2.gz FUIGYPOESMOSTO-VIFPVBQESA-N -1 0 319.321 -0.219 20 0 DBADRM C=CS(=O)(=O)CCC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001573379644 1026558312 /nfs/dbraw/zinc/55/83/12/1026558312.db2.gz QKVDENKMSBCFKY-LBPRGKRZSA-N -1 0 315.351 -0.209 20 0 DBADRM C[C@H]([C@H](C)N(C)C(=O)c1cn(CC(=O)[O-])nn1)S(C)(=O)=O ZINC001573381271 1026558673 /nfs/dbraw/zinc/55/86/73/1026558673.db2.gz FWPQLNTVXNKOHG-JGVFFNPUSA-N -1 0 318.355 -0.744 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 ZINC001573372330 1026558836 /nfs/dbraw/zinc/55/88/36/1026558836.db2.gz OUAKWGSBIFIYMT-MRVPVSSYSA-N -1 0 312.347 -0.061 20 0 DBADRM CC(=O)N[C@](C)(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(C)C ZINC001573371200 1026559022 /nfs/dbraw/zinc/55/90/22/1026559022.db2.gz RSJDGEWUKSCDIO-FZNYLWTLSA-N -1 0 315.370 -0.369 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NC[C@](C)(CC(C)C)C(=O)[O-])C(N)=O ZINC001573376537 1026559192 /nfs/dbraw/zinc/55/91/92/1026559192.db2.gz YGQXARIRHSDXDE-HZMBPMFUSA-N -1 0 315.370 -0.380 20 0 DBADRM CC(=O)CCCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001573398650 1026560463 /nfs/dbraw/zinc/56/04/63/1026560463.db2.gz AQPDJDQZFOBFGR-JOYOIKCWSA-N -1 0 305.352 -0.250 20 0 DBADRM C[C@@H](C(=O)NCc1[nH]cnc1C(=O)[O-])[C@H](C)S(C)(=O)=O ZINC001573398974 1026560493 /nfs/dbraw/zinc/56/04/93/1026560493.db2.gz KFYYEQIIPFGLJA-RQJHMYQMSA-N -1 0 303.340 -0.207 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-] ZINC001573398120 1026561610 /nfs/dbraw/zinc/56/16/10/1026561610.db2.gz DLTBTZOSEDLBJD-RGOKHQFPSA-N -1 0 304.368 -0.270 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001573391571 1026561877 /nfs/dbraw/zinc/56/18/77/1026561877.db2.gz ZFBVNKILWJBVHP-UHFFFAOYSA-N -1 0 323.349 -0.175 20 0 DBADRM C[C@H](C(=O)[O-])C1CN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C1 ZINC001573399543 1026562744 /nfs/dbraw/zinc/56/27/44/1026562744.db2.gz NWIZKFWOISDAPU-DTWKUNHWSA-N -1 0 319.383 -0.919 20 0 DBADRM CC(=O)CCCC(=O)N[C@@H]1[C@H]2CN(C(=O)CNC(=O)[O-])C[C@H]21 ZINC001573400255 1026562972 /nfs/dbraw/zinc/56/29/72/1026562972.db2.gz UDIHHKGJDKUFPR-IWIIMEHWSA-N -1 0 311.338 -0.414 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001573401058 1026563210 /nfs/dbraw/zinc/56/32/10/1026563210.db2.gz MAPIWWVAYFGYSV-MGCOHNPYSA-N -1 0 321.337 -0.866 20 0 DBADRM CC(=O)CCCC(=O)N[C@@H](C)CN(C)C(=O)CNC(=O)[O-] ZINC001573399180 1026563309 /nfs/dbraw/zinc/56/33/09/1026563309.db2.gz HIMSAAVGVVVUBD-VIFPVBQESA-N -1 0 301.343 -0.024 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001573401288 1026563435 /nfs/dbraw/zinc/56/34/35/1026563435.db2.gz BSAGAQSHTMYCFI-IUCAKERBSA-N -1 0 323.353 -0.042 20 0 DBADRM CC(=O)CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)[O-] ZINC001573399774 1026563717 /nfs/dbraw/zinc/56/37/17/1026563717.db2.gz MPBRGHRXQAWTEE-QWRGUYRKSA-N -1 0 311.338 -0.175 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001573401057 1026563733 /nfs/dbraw/zinc/56/37/33/1026563733.db2.gz MAPIWWVAYFGYSV-AOOOYVTPSA-N -1 0 321.337 -0.866 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)c1ccnc(C(=O)[O-])n1 ZINC001573401292 1026563977 /nfs/dbraw/zinc/56/39/77/1026563977.db2.gz BSDWOTPKPBJCII-SECBINFHSA-N -1 0 323.353 -0.406 20 0 DBADRM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)CNC(=O)[O-])C[C@@H]1C ZINC001573400507 1026564206 /nfs/dbraw/zinc/56/42/06/1026564206.db2.gz WXIGMSWCTHLSON-GXSJLCMTSA-N -1 0 313.354 -0.024 20 0 DBADRM CC(=O)CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)[O-] ZINC001573399186 1026564261 /nfs/dbraw/zinc/56/42/61/1026564261.db2.gz HOXAQKRLPGSGBF-IWIIMEHWSA-N -1 0 311.338 -0.414 20 0 DBADRM CC(=O)N(C)CC(=O)NCC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001573401172 1026564271 /nfs/dbraw/zinc/56/42/71/1026564271.db2.gz AQHHQEACGPIIGE-VIFPVBQESA-N -1 0 323.353 -0.618 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H](C)CCNc1ncc(C(=O)[O-])cn1 ZINC001573404051 1026564930 /nfs/dbraw/zinc/56/49/30/1026564930.db2.gz YNPAFBDWNSKXJY-VIFPVBQESA-N -1 0 323.353 -0.040 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001573402668 1026565258 /nfs/dbraw/zinc/56/52/58/1026565258.db2.gz KYQIYWMPWCENRW-QWRGUYRKSA-N -1 0 313.354 -0.898 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001573402181 1026566092 /nfs/dbraw/zinc/56/60/92/1026566092.db2.gz ILWZYYITJHYGPU-VIFPVBQESA-N -1 0 323.353 -0.761 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H](C)C1 ZINC001573414633 1026566920 /nfs/dbraw/zinc/56/69/20/1026566920.db2.gz VTBDRRBIEWAHRW-ZETCQYMHSA-N -1 0 316.339 -0.651 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N(C)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001573416902 1026568169 /nfs/dbraw/zinc/56/81/69/1026568169.db2.gz DGOYTCBCMNCEAU-UWVGGRQHSA-N -1 0 313.354 -0.804 20 0 DBADRM CC(=O)N1C[C@@H](C)OC2(CCN(C(=O)CNC(=O)[O-])CC2)C1 ZINC001573410385 1026568217 /nfs/dbraw/zinc/56/82/17/1026568217.db2.gz NWHJYBWLPYPAHL-SNVBAGLBSA-N -1 0 313.354 -0.118 20 0 DBADRM CC(=O)N1CCN(C(=O)Cn2nc(C(=O)[O-])nc2Cl)CC1 ZINC001573413483 1026568325 /nfs/dbraw/zinc/56/83/25/1026568325.db2.gz GWCWBLOQFXMXTQ-UHFFFAOYSA-N -1 0 315.717 -0.680 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001573420909 1026568795 /nfs/dbraw/zinc/56/87/95/1026568795.db2.gz GFAATDIUEOVQPG-YUMQZZPRSA-N -1 0 309.326 -0.962 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@H](C)NC(=O)CNC(=O)[O-] ZINC001573421781 1026569067 /nfs/dbraw/zinc/56/90/67/1026569067.db2.gz MIPOMBGZYKJRIH-JGVFFNPUSA-N -1 0 316.358 -0.822 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NCC[C@H](C)NC(=O)CNC(=O)[O-] ZINC001573422472 1026569191 /nfs/dbraw/zinc/56/91/91/1026569191.db2.gz QESUFZORZUGSRZ-QMMMGPOBSA-N -1 0 316.358 -0.820 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001573422060 1026569398 /nfs/dbraw/zinc/56/93/98/1026569398.db2.gz PAXOCBQYNSRQFG-DTWKUNHWSA-N -1 0 323.353 -0.715 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001573421729 1026569533 /nfs/dbraw/zinc/56/95/33/1026569533.db2.gz LCCBJMJOSOWXBZ-WPRPVWTQSA-N -1 0 321.337 -0.866 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001573422057 1026569696 /nfs/dbraw/zinc/56/96/96/1026569696.db2.gz PAXOCBQYNSRQFG-BDAKNGLRSA-N -1 0 323.353 -0.715 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)c1ccnc(C(=O)[O-])n1 ZINC001573420555 1026569764 /nfs/dbraw/zinc/56/97/64/1026569764.db2.gz CRYXJJHARLPMLT-IUCAKERBSA-N -1 0 323.353 -0.360 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NCCC[C@@H](C)NC(=O)CNC(=O)[O-] ZINC001573420513 1026570032 /nfs/dbraw/zinc/57/00/32/1026570032.db2.gz CIZXHHVTJDUSAW-RKDXNWHRSA-N -1 0 316.358 -0.820 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001573421011 1026570194 /nfs/dbraw/zinc/57/01/94/1026570194.db2.gz GYNFLLHEMLCYAP-RKDXNWHRSA-N -1 0 323.353 -0.620 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001573422876 1026570276 /nfs/dbraw/zinc/57/02/76/1026570276.db2.gz SWQPGUQRZJGBQI-BDAKNGLRSA-N -1 0 323.353 -0.042 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573421746 1026570333 /nfs/dbraw/zinc/57/03/33/1026570333.db2.gz LNHDKJBEMBEXAE-GZMMTYOYSA-N -1 0 321.337 -0.288 20 0 DBADRM CC(=O)NCC(=O)N(C)CCN(C(=O)CNC(=O)[O-])C(C)C ZINC001573427690 1026570767 /nfs/dbraw/zinc/57/07/67/1026570767.db2.gz FTQDBKDMCWDACX-UHFFFAOYSA-N -1 0 316.358 -0.915 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573428060 1026570917 /nfs/dbraw/zinc/57/09/17/1026570917.db2.gz PMYONEVPVCWNNV-SNVBAGLBSA-N -1 0 307.310 -0.676 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NCC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001573423594 1026571103 /nfs/dbraw/zinc/57/11/03/1026571103.db2.gz ZPJOPMHYJAXMNK-RKDXNWHRSA-N -1 0 323.353 -0.572 20 0 DBADRM CC(=O)NCC(=O)N1CCC(Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001573427579 1026571441 /nfs/dbraw/zinc/57/14/41/1026571441.db2.gz AZLBRYRKLFEVDE-UHFFFAOYSA-N -1 0 321.337 -0.864 20 0 DBADRM CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001573427863 1026571667 /nfs/dbraw/zinc/57/16/67/1026571667.db2.gz LCJIJKUITSUFBJ-WRWGMCAJSA-N -1 0 323.349 -0.955 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001573422983 1026571833 /nfs/dbraw/zinc/57/18/33/1026571833.db2.gz VLHJBQCODJVRIB-UHFFFAOYSA-N -1 0 323.353 -0.358 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001573428442 1026572702 /nfs/dbraw/zinc/57/27/02/1026572702.db2.gz XCTWHJSRDJSGPX-SNVBAGLBSA-N -1 0 321.337 -0.864 20 0 DBADRM CC(=O)NCC(=O)NC1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001573430691 1026572810 /nfs/dbraw/zinc/57/28/10/1026572810.db2.gz VKYYFVNANFKEMQ-UHFFFAOYSA-N -1 0 321.337 -0.604 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573430900 1026573111 /nfs/dbraw/zinc/57/31/11/1026573111.db2.gz WFOPREUIBDKQBB-YUMQZZPRSA-N -1 0 301.343 -0.757 20 0 DBADRM CC(=O)NCC(=O)NC1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001573429780 1026573340 /nfs/dbraw/zinc/57/33/40/1026573340.db2.gz MCMRMKATNXHVFW-UHFFFAOYSA-N -1 0 321.337 -0.604 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)NC(=O)CNC(=O)[O-] ZINC001573430564 1026573720 /nfs/dbraw/zinc/57/37/20/1026573720.db2.gz SDEIGDPHUDVSMW-MRVPVSSYSA-N -1 0 316.358 -0.963 20 0 DBADRM CC(=O)Nc1cc(F)ccc1C(=O)NCC(=O)NCC(=O)[O-] ZINC001573444280 1026574496 /nfs/dbraw/zinc/57/44/96/1026574496.db2.gz SPWXZVGVGWLPOU-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM CC(=O)N[C@@H](C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])C(C)C ZINC001573435935 1026574684 /nfs/dbraw/zinc/57/46/84/1026574684.db2.gz FPUNZAOURNRDMY-GXSJLCMTSA-N -1 0 302.327 -0.521 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)C(N)=O ZINC001573435867 1026574945 /nfs/dbraw/zinc/57/49/45/1026574945.db2.gz BGBWDIAVDXTFRP-IUCAKERBSA-N -1 0 301.343 -0.628 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])C(N)=O ZINC001573435860 1026575402 /nfs/dbraw/zinc/57/54/02/1026575402.db2.gz BEFXWZVUVQBORG-BHDSKKPTSA-N -1 0 313.354 -0.484 20 0 DBADRM CC(=O)N[C@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)C(C)(C)C ZINC001573435920 1026575570 /nfs/dbraw/zinc/57/55/70/1026575570.db2.gz DSJVCKVGUGVWQJ-LLVKDONJSA-N -1 0 323.353 -0.090 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])C(N)=O ZINC001573435861 1026576020 /nfs/dbraw/zinc/57/60/20/1026576020.db2.gz BEFXWZVUVQBORG-ISTVAULSSA-N -1 0 313.354 -0.484 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001573436742 1026576176 /nfs/dbraw/zinc/57/61/76/1026576176.db2.gz VMZZSBPJPQYLFD-NSHDSACASA-N -1 0 315.370 -0.366 20 0 DBADRM CC(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001573436632 1026576179 /nfs/dbraw/zinc/57/61/79/1026576179.db2.gz XOAQIQBAWKAOCF-BDAKNGLRSA-N -1 0 308.294 -0.845 20 0 DBADRM CC(=O)N[C@H](C(=O)N[C@H](Cn1cncn1)C(=O)[O-])C(C)(C)C ZINC001573436224 1026576254 /nfs/dbraw/zinc/57/62/54/1026576254.db2.gz KHOGWNXQVGPHKM-NXEZZACHSA-N -1 0 311.342 -0.602 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1CN(C(=O)[C@@H](O)CC(=O)[O-])CCO1 ZINC001573460704 1026577462 /nfs/dbraw/zinc/57/74/62/1026577462.db2.gz OVJPRHOPBUMXEC-DTWKUNHWSA-N -1 0 303.311 -0.609 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)CCNC(=O)[O-] ZINC001573465600 1026577752 /nfs/dbraw/zinc/57/77/52/1026577752.db2.gz SUEFHXFMBQCKMR-QMMMGPOBSA-N -1 0 305.331 -0.354 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)CNC(=O)[O-])C1 ZINC001573465677 1026577772 /nfs/dbraw/zinc/57/77/72/1026577772.db2.gz VATKEHJVUXGZKG-CYBMUJFWSA-N -1 0 317.342 -0.258 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)CCNC(=O)[O-])C1 ZINC001573464791 1026578133 /nfs/dbraw/zinc/57/81/33/1026578133.db2.gz LJSFDTDGZTXZJW-RKDXNWHRSA-N -1 0 317.342 -0.260 20 0 DBADRM CC(C)(CNS(C)(=O)=O)NC(=O)c1ccc(C(=O)[O-])cn1 ZINC001573478200 1026578750 /nfs/dbraw/zinc/57/87/50/1026578750.db2.gz KTKPHXDCKTUIRA-UHFFFAOYSA-N -1 0 315.351 -0.163 20 0 DBADRM CC(C)(CCNC(=O)N1CC[C@H](CS(N)(=O)=O)C1)C(=O)[O-] ZINC001573474368 1026579326 /nfs/dbraw/zinc/57/93/26/1026579326.db2.gz RVAUFZMVEWXGSY-VIFPVBQESA-N -1 0 321.399 -0.193 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CSC[C@@H]1C(=O)[O-] ZINC001573469009 1026579671 /nfs/dbraw/zinc/57/96/71/1026579671.db2.gz VUMRMMUERYNUJH-SFYZADRCSA-N -1 0 320.367 -0.142 20 0 DBADRM CC(C)(CNC(=O)N1CC([C@@H](F)C(=O)[O-])C1)S(C)(=O)=O ZINC001573481917 1026580368 /nfs/dbraw/zinc/58/03/68/1026580368.db2.gz GYUIEXQNTSUDTI-MRVPVSSYSA-N -1 0 310.347 -0.126 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC001573490958 1026581392 /nfs/dbraw/zinc/58/13/92/1026581392.db2.gz ITBNEEWKRKXEPB-JOYOIKCWSA-N -1 0 313.354 -0.628 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573492909 1026581494 /nfs/dbraw/zinc/58/14/94/1026581494.db2.gz UTMVMOSWSIJCPL-UWVGGRQHSA-N -1 0 315.370 -0.367 20 0 DBADRM CC(C)C[C@@](C)(CNC(=O)[C@@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC001573491304 1026581590 /nfs/dbraw/zinc/58/15/90/1026581590.db2.gz KGERRPMHADFLRZ-CABZTGNLSA-N -1 0 306.384 -0.069 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NCc1cc(C(=O)[O-])no1 ZINC001573485187 1026581610 /nfs/dbraw/zinc/58/16/10/1026581610.db2.gz WCIRFYUJUCOIFI-UHFFFAOYSA-N -1 0 305.312 -0.683 20 0 DBADRM CC(C)C[C@H](CNC(=O)NCC(C)(CO)CO)NC(=O)[O-] ZINC001573502298 1026582105 /nfs/dbraw/zinc/58/21/05/1026582105.db2.gz NCYARFGFDQPBKB-SNVBAGLBSA-N -1 0 305.375 -0.041 20 0 DBADRM CC(C)(NC(=O)c1cccn(CC(=O)[O-])c1=O)c1ncon1 ZINC001573483066 1026582114 /nfs/dbraw/zinc/58/21/14/1026582114.db2.gz PGKHDEOTOUOILL-UHFFFAOYSA-N -1 0 306.278 -0.019 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N(C)CCC(=O)[O-] ZINC001573493912 1026582500 /nfs/dbraw/zinc/58/25/00/1026582500.db2.gz ZDAABJNIQJLVNY-SECBINFHSA-N -1 0 301.343 -0.674 20 0 DBADRM CC(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CO)C(=O)[O-] ZINC001573510199 1026583940 /nfs/dbraw/zinc/58/39/40/1026583940.db2.gz SLKJOZUNOFPHPX-ZDUSSCGKSA-N -1 0 308.334 -0.361 20 0 DBADRM CC(C)COC(=O)[C@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001573522713 1026584398 /nfs/dbraw/zinc/58/43/98/1026584398.db2.gz NSYRFULCGHDTAP-UWVGGRQHSA-N -1 0 322.383 -0.043 20 0 DBADRM CC(C)OC(=O)[C@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573523782 1026584582 /nfs/dbraw/zinc/58/45/82/1026584582.db2.gz IYRFMWKAVMOBSG-LURJTMIESA-N -1 0 305.312 -0.274 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)c1nc2ncc(CCO)cn2n1 ZINC001573519727 1026585088 /nfs/dbraw/zinc/58/50/88/1026585088.db2.gz UGSRTAMKYHKULR-UHFFFAOYSA-N -1 0 307.310 -0.406 20 0 DBADRM CC(C)COC1CN(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC001573516635 1026585315 /nfs/dbraw/zinc/58/53/15/1026585315.db2.gz ZWPXBCSDYAOZKX-UHFFFAOYSA-N -1 0 321.399 -0.116 20 0 DBADRM CC(C)c1nnnn1CC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001573533209 1026585942 /nfs/dbraw/zinc/58/59/42/1026585942.db2.gz LKKZMENIRMPGKG-UWVGGRQHSA-N -1 0 311.342 -0.065 20 0 DBADRM C[C@H](CCC(=O)[O-])NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001573543685 1026586571 /nfs/dbraw/zinc/58/65/71/1026586571.db2.gz UMGNBCPYCYHBTJ-HTQZYQBOSA-N -1 0 311.298 -0.630 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccc(S(C)(=O)=O)nn1 ZINC001573540293 1026586603 /nfs/dbraw/zinc/58/66/03/1026586603.db2.gz JFGYWLFMEXEWRJ-ZCFIWIBFSA-N -1 0 302.312 -0.135 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)COCC(=O)NCc1cccnc1 ZINC001573540282 1026587005 /nfs/dbraw/zinc/58/70/05/1026587005.db2.gz JBQCZEDBYBSWSZ-SNVBAGLBSA-N -1 0 309.322 -0.306 20 0 DBADRM CC(C)c1nc([C@H]2COCCN2C(=O)[C@H](O)CC(=O)[O-])no1 ZINC001573532837 1026587082 /nfs/dbraw/zinc/58/70/82/1026587082.db2.gz CYMLKRXQZXXRME-RKDXNWHRSA-N -1 0 313.310 -0.072 20 0 DBADRM C[C@@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573553048 1026588473 /nfs/dbraw/zinc/58/84/73/1026588473.db2.gz JRCDBMFHIAGQPB-GJMOJQLCSA-N -1 0 316.358 -0.837 20 0 DBADRM C[C@H](CNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)C(=O)[O-] ZINC001573544686 1026588896 /nfs/dbraw/zinc/58/88/96/1026588896.db2.gz TYEKKVZZLZUPKH-KCJUWKMLSA-N -1 0 319.317 -0.036 20 0 DBADRM C[C@@H](CNS(=O)(=O)N=[S@@](C)(=O)N(C)C)CC(=O)[O-] ZINC001573551820 1026590042 /nfs/dbraw/zinc/59/00/42/1026590042.db2.gz PKAGRTWMXYJFGM-IWEMQMMOSA-N -1 0 301.390 -0.494 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573552041 1026588992 /nfs/dbraw/zinc/58/89/92/1026588992.db2.gz WYPZQGBCDFYTMG-ZETCQYMHSA-N -1 0 313.339 -0.249 20 0 DBADRM C[C@@H](CNC(=O)Nc1ccc(S(C)(=O)=O)nn1)C(=O)[O-] ZINC001573552947 1026589500 /nfs/dbraw/zinc/58/95/00/1026589500.db2.gz UUTVCUSBHXJVMY-LURJTMIESA-N -1 0 302.312 -0.278 20 0 DBADRM C[C@@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573553044 1026589582 /nfs/dbraw/zinc/58/95/82/1026589582.db2.gz JRCDBMFHIAGQPB-CSMHCCOUSA-N -1 0 316.358 -0.837 20 0 DBADRM C[C@@H](NC(=O)C1=C[S@](=O)CCC1)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573552619 1026589816 /nfs/dbraw/zinc/58/98/16/1026589816.db2.gz GOYMDRZOWQWXLH-SMPFOWEGSA-N -1 0 302.352 -0.493 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NC(=O)c1cnn2c1NCCC2)C(=O)[O-] ZINC001573560169 1026590597 /nfs/dbraw/zinc/59/05/97/1026590597.db2.gz RFDDQVSLGCFIGR-JGVFFNPUSA-N -1 0 309.326 -0.594 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573554710 1026591161 /nfs/dbraw/zinc/59/11/61/1026591161.db2.gz ZFEUDBZRMXDOGK-GUBZILKMSA-N -1 0 315.370 -0.376 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1ncc2n1CCCC2)C(=O)[O-] ZINC001573560110 1026591310 /nfs/dbraw/zinc/59/13/10/1026591310.db2.gz POZOBMOAYXEATC-IUCAKERBSA-N -1 0 308.338 -0.073 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)Cn1ncc2cccnc21)C(=O)[O-] ZINC001573554038 1026591481 /nfs/dbraw/zinc/59/14/81/1026591481.db2.gz PHUPDJQVJAXBDK-IUCAKERBSA-N -1 0 319.321 -0.475 20 0 DBADRM C[C@@H](NC(=O)[C@@]1(C)CCCS1(=O)=O)c1nc(C(=O)[O-])n[nH]1 ZINC001573560102 1026591885 /nfs/dbraw/zinc/59/18/85/1026591885.db2.gz PNWVOUSVAHAOCO-KSBSHMNSSA-N -1 0 316.339 -0.353 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1CC1 ZINC001573560196 1026592047 /nfs/dbraw/zinc/59/20/47/1026592047.db2.gz RNDBUUSKKSUGGV-CIUDSAMLSA-N -1 0 306.384 -0.070 20 0 DBADRM C[C@@H](NC(=O)Cn1ncc2cccnc21)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573554036 1026592074 /nfs/dbraw/zinc/59/20/74/1026592074.db2.gz PHUPDJQVJAXBDK-BDAKNGLRSA-N -1 0 319.321 -0.475 20 0 DBADRM C[C@H](NC(=O)C1=C2CCCN=C2NN1)c1nc(C(=O)[O-])n[nH]1 ZINC001573572134 1026592717 /nfs/dbraw/zinc/59/27/17/1026592717.db2.gz ONEQDSOSSZONQH-YFKPBYRVSA-N -1 0 305.298 -0.766 20 0 DBADRM C[C@H](NC(=O)CCCS(N)(=O)=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC001573561054 1026592917 /nfs/dbraw/zinc/59/29/17/1026592917.db2.gz BQUVLGNATIHDLQ-UWVGGRQHSA-N -1 0 321.399 -0.050 20 0 DBADRM C[C@@](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)(C(=O)[O-])c1cccnc1 ZINC001573569058 1026593142 /nfs/dbraw/zinc/59/31/42/1026593142.db2.gz MLCFOPRASQAGTI-RBZYPMLTSA-N -1 0 307.306 -0.470 20 0 DBADRM C[C@](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)(C(=O)[O-])c1cccnc1 ZINC001573569057 1026593584 /nfs/dbraw/zinc/59/35/84/1026593584.db2.gz MLCFOPRASQAGTI-IMSIIYSGSA-N -1 0 307.306 -0.470 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1nnnn1C ZINC001573578467 1026595012 /nfs/dbraw/zinc/59/50/12/1026595012.db2.gz FSMQAMKHULSJIQ-SSDOTTSWSA-N -1 0 311.323 -0.052 20 0 DBADRM C[C@@H](NS(=O)(=O)N(C)CC1CC1)c1nc(C(=O)[O-])n[nH]1 ZINC001573578618 1026595965 /nfs/dbraw/zinc/59/59/65/1026595965.db2.gz INTJRFXRHGKVHI-ZCFIWIBFSA-N -1 0 303.344 -0.260 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001573578307 1026596346 /nfs/dbraw/zinc/59/63/46/1026596346.db2.gz CDVBEBHSMWTMLN-DJLDLDEBSA-N -1 0 308.356 -0.937 20 0 DBADRM C[C@@H](CCCO)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001573579791 1026596538 /nfs/dbraw/zinc/59/65/38/1026596538.db2.gz KOJAPIUWNCFQMK-QWRGUYRKSA-N -1 0 315.370 -0.088 20 0 DBADRM C[C@H](Oc1ccccn1)C(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573590050 1026597968 /nfs/dbraw/zinc/59/79/68/1026597968.db2.gz MYKRZDHHKQVIKO-HBNTYKKESA-N -1 0 309.322 -0.064 20 0 DBADRM C[C@H](CNC(=O)NCc1nc2c(c(=O)[nH]1)COCC2)C(=O)[O-] ZINC001573599978 1026600194 /nfs/dbraw/zinc/60/01/94/1026600194.db2.gz ZUKGCQMBOMYRSW-SSDOTTSWSA-N -1 0 310.310 -0.225 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)CCO1 ZINC001573602199 1026600606 /nfs/dbraw/zinc/60/06/06/1026600606.db2.gz SXXRTSVDNTWBSF-ZHPDPMBESA-N -1 0 314.338 -0.325 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC001573600627 1026600644 /nfs/dbraw/zinc/60/06/44/1026600644.db2.gz ICWZOJSTIUCODU-CABZTGNLSA-N -1 0 320.367 -0.551 20 0 DBADRM CC1(C(=O)N2CCN(c3nc(N)nc(C(=O)[O-])n3)CC2)CC1 ZINC001573598255 1026600688 /nfs/dbraw/zinc/60/06/88/1026600688.db2.gz YBDLWZCDKYCUJX-UHFFFAOYSA-N -1 0 306.326 -0.399 20 0 DBADRM C[C@]1(C(=O)[O-])CN(C(=O)CC2SC(=N)NC2=O)CCO1 ZINC001573602256 1026600848 /nfs/dbraw/zinc/60/08/48/1026600848.db2.gz UHOXMJLBLJJJQE-KSBSHMNSSA-N -1 0 301.324 -0.755 20 0 DBADRM C[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)c1nccc(N)n1 ZINC001573624728 1026603360 /nfs/dbraw/zinc/60/33/60/1026603360.db2.gz KJBCSNUUEMKUKR-MRVPVSSYSA-N -1 0 317.305 -0.204 20 0 DBADRM CC1=NO[C@H](CNS(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC001573624477 1026603398 /nfs/dbraw/zinc/60/33/98/1026603398.db2.gz BJUOTXSTLDAZDZ-VIFPVBQESA-N -1 0 306.344 -0.719 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CSC[C@H]1C(=O)[O-] ZINC001573626528 1026603846 /nfs/dbraw/zinc/60/38/46/1026603846.db2.gz PQUKJLVXXKYIFR-QMMMGPOBSA-N -1 0 319.364 -0.493 20 0 DBADRM C[C@]1(CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)CCCO1 ZINC001573620447 1026604403 /nfs/dbraw/zinc/60/44/03/1026604403.db2.gz XHRSTNPTXVNSLX-OUJBWJOFSA-N -1 0 301.343 -0.175 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)Nc1ncc(C(=O)[O-])n1C ZINC001573626984 1026604480 /nfs/dbraw/zinc/60/44/80/1026604480.db2.gz SRMKFZMQTKMVLF-SSDOTTSWSA-N -1 0 308.298 -0.248 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC001573633805 1026606088 /nfs/dbraw/zinc/60/60/88/1026606088.db2.gz BSWACMQRKPPXBZ-AYHFEMFVSA-N -1 0 306.322 -0.249 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccnc3c(C(=O)[O-])cnn32)CC(=O)N1 ZINC001573649703 1026606969 /nfs/dbraw/zinc/60/69/69/1026606969.db2.gz RGVQHRCSKQQUSL-SSDOTTSWSA-N -1 0 303.278 -0.612 20 0 DBADRM C[C@](O)(CNC(=O)c1cccc(N2C(=O)CCC2=O)c1)C(=O)[O-] ZINC001573632917 1026607125 /nfs/dbraw/zinc/60/71/25/1026607125.db2.gz HIJZSCPVEFAPNG-HNNXBMFYSA-N -1 0 320.301 -0.095 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)NC[C@]2(C(=O)[O-])CCCOC2)C(=O)O1 ZINC001573634955 1026607168 /nfs/dbraw/zinc/60/71/68/1026607168.db2.gz GZQBNQUJCMDDOP-VYUIOLGVSA-N -1 0 300.311 -0.129 20 0 DBADRM C[C@H]1Cn2nc(C(=O)[O-])cc2CN1CCCS(N)(=O)=O ZINC001573655688 1026608376 /nfs/dbraw/zinc/60/83/76/1026608376.db2.gz XZPJGLKDZKQNRU-QMMMGPOBSA-N -1 0 302.356 -0.536 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)C1 ZINC001573654079 1026608388 /nfs/dbraw/zinc/60/83/88/1026608388.db2.gz RPWAQCZHFWTEDN-SDBXPKJASA-N -1 0 323.309 -0.677 20 0 DBADRM C[C@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)N[C@H]1CCOC1=O ZINC001573654367 1026608624 /nfs/dbraw/zinc/60/86/24/1026608624.db2.gz IHZFDKZQGGLGPO-CBAPKCEASA-N -1 0 308.294 -0.190 20 0 DBADRM C[C@@]1(C(N)=O)CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001573653791 1026608697 /nfs/dbraw/zinc/60/86/97/1026608697.db2.gz MHUOQFKGVIOSOL-CQSZACIVSA-N -1 0 307.306 -0.730 20 0 DBADRM C[C@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)N[C@@H]1COC(=O)C1 ZINC001573655742 1026609277 /nfs/dbraw/zinc/60/92/77/1026609277.db2.gz ZDWYNICOXLEYEI-YUMQZZPRSA-N -1 0 308.294 -0.190 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)N[C@H]1CCNC1=O ZINC001573653833 1026609316 /nfs/dbraw/zinc/60/93/16/1026609316.db2.gz DDNJEHZHEWIVGJ-APPZFPTMSA-N -1 0 307.310 -0.617 20 0 DBADRM C[C@H]1CN=C(N2CCN(C(=O)[C@@H](O)CC(=O)[O-])CC2)S1 ZINC001573653783 1026609418 /nfs/dbraw/zinc/60/94/18/1026609418.db2.gz CRZSRSCLPJLIJR-IUCAKERBSA-N -1 0 301.368 -0.543 20 0 DBADRM CC[C@@H](C(=O)N1CCC(C(=O)NCC(=O)[O-])CC1)[C@@H](C)O ZINC001573660193 1026609495 /nfs/dbraw/zinc/60/94/95/1026609495.db2.gz HUDDMFYHWSTPFE-MWLCHTKSSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573662153 1026610924 /nfs/dbraw/zinc/61/09/24/1026610924.db2.gz TWTGTGWQGANBQF-XKNYDFJKSA-N -1 0 308.356 -0.946 20 0 DBADRM CC[C@@H](C)C[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C(=O)[O-] ZINC001573671583 1026614216 /nfs/dbraw/zinc/61/42/16/1026614216.db2.gz CPBFBIFEGBSNMT-JEZHCXPESA-N -1 0 301.343 -0.628 20 0 DBADRM CC[C@@H](C)C[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C(=O)[O-] ZINC001573674043 1026616707 /nfs/dbraw/zinc/61/67/07/1026616707.db2.gz RJYGERGXWVYMJS-AWHZUTQYSA-N -1 0 301.339 -0.595 20 0 DBADRM CC[C@@H](C)NC(=O)CCNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001573679858 1026616798 /nfs/dbraw/zinc/61/67/98/1026616798.db2.gz YAZXGCQBSNMBNH-NXEZZACHSA-N -1 0 321.399 -0.325 20 0 DBADRM CC[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])N1CCO[C@H](CC)C1 ZINC001573723370 1026622052 /nfs/dbraw/zinc/62/20/52/1026622052.db2.gz WWFUBYMTEHGCGQ-GYSYKLTISA-N -1 0 302.371 -0.172 20 0 DBADRM C[C@]1(CC(=O)Nc2cnn(CC(=O)[O-])c2)CCS(=O)(=O)N1 ZINC001573684176 1026618856 /nfs/dbraw/zinc/61/88/56/1026618856.db2.gz KISHMAZHOXHLPB-LLVKDONJSA-N -1 0 316.339 -0.622 20 0 DBADRM CCC[C@H](C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)S(N)(=O)=O ZINC001573723299 1026622089 /nfs/dbraw/zinc/62/20/89/1026622089.db2.gz VQYWJAAKOWUGPC-UTINFBMNSA-N -1 0 304.368 -0.377 20 0 DBADRM C[C@@]12CN(C(=O)C3(C(=O)[O-])CCOCC3)C[C@@]1(C)C(=O)NC2=O ZINC001573689676 1026619921 /nfs/dbraw/zinc/61/99/21/1026619921.db2.gz PQQFPRPGNAKZTO-KBPBESRZSA-N -1 0 324.333 -0.621 20 0 DBADRM CCC[C@H](C(=O)N1CCO[C@@](C)(C(=O)[O-])C1)S(N)(=O)=O ZINC001573721236 1026622653 /nfs/dbraw/zinc/62/26/53/1026622653.db2.gz CRZFLKNZTBKDEH-LDYMZIIASA-N -1 0 308.356 -0.854 20 0 DBADRM CCC[C@@H](C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)S(N)(=O)=O ZINC001573723300 1026622574 /nfs/dbraw/zinc/62/25/74/1026622574.db2.gz VQYWJAAKOWUGPC-XFWSIPNHSA-N -1 0 304.368 -0.377 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)nn1 ZINC001573709219 1026623121 /nfs/dbraw/zinc/62/31/21/1026623121.db2.gz GFCONUVKCFNPBV-MWGHHZFTSA-N -1 0 308.338 -0.158 20 0 DBADRM CCC[C@H](C(=O)Nc1nn(C)cc1C(=O)[O-])S(N)(=O)=O ZINC001573721779 1026623309 /nfs/dbraw/zinc/62/33/09/1026623309.db2.gz JDVKONUHUZPIAY-SSDOTTSWSA-N -1 0 304.328 -0.486 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001573724176 1026623436 /nfs/dbraw/zinc/62/34/36/1026623436.db2.gz FVUWJYNVNIHFPR-IUCAKERBSA-N -1 0 313.397 -0.406 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NC(C)(C)CS(C)(=O)=O ZINC001573724635 1026625340 /nfs/dbraw/zinc/62/53/40/1026625340.db2.gz OHFCIMBRPWPRHM-MRVPVSSYSA-N -1 0 315.413 -0.018 20 0 DBADRM CCC[C@H](CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001573733033 1026625355 /nfs/dbraw/zinc/62/53/55/1026625355.db2.gz CATGQOUOOVHXKL-SSDOTTSWSA-N -1 0 319.339 -0.735 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N1CCCN(C(N)=O)CC1 ZINC001573724562 1026625427 /nfs/dbraw/zinc/62/54/27/1026625427.db2.gz MYRVYTAWRPTMRF-VIFPVBQESA-N -1 0 307.372 -0.344 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001573725126 1026625715 /nfs/dbraw/zinc/62/57/15/1026625715.db2.gz XCSVVCHRMSBDNG-AEJSXWLSSA-N -1 0 320.367 0.000 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NCC1(CO)CCOCC1 ZINC001573724530 1026625725 /nfs/dbraw/zinc/62/57/25/1026625725.db2.gz MOUMJURMAMATNQ-SNVBAGLBSA-N -1 0 309.384 -0.052 20 0 DBADRM CCC[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)OC ZINC001573764062 1026627656 /nfs/dbraw/zinc/62/76/56/1026627656.db2.gz VXPVDPALIHFWRD-SSDOTTSWSA-N -1 0 305.312 -0.272 20 0 DBADRM CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@H](OC)C(=O)[O-] ZINC001573776606 1026629846 /nfs/dbraw/zinc/62/98/46/1026629846.db2.gz OGAVHMJCSFAJHT-YIZRAAEISA-N -1 0 304.368 -0.098 20 0 DBADRM CCCn1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccncc2)nn1 ZINC001573765147 1026630396 /nfs/dbraw/zinc/63/03/96/1026630396.db2.gz XDSNQBMAIPLEIP-RYUDHWBXSA-N -1 0 319.321 0.000 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N1CCC[C@@](COC)(C(=O)[O-])C1 ZINC001573785517 1026631785 /nfs/dbraw/zinc/63/17/85/1026631785.db2.gz ATJKRMZCBMOUPI-IINYFYTJSA-N -1 0 317.338 -0.360 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573781957 1026632093 /nfs/dbraw/zinc/63/20/93/1026632093.db2.gz MPAIDCWOWQUAFV-AATLWQCWSA-N -1 0 314.338 -0.330 20 0 DBADRM CCOC(=O)[C@@H](NC(=O)[C@@H](O)CC(=O)[O-])c1cccc(O)c1 ZINC001573784996 1026632137 /nfs/dbraw/zinc/63/21/37/1026632137.db2.gz OLNAXGXLKYIJTD-JQWIXIFHSA-N -1 0 311.290 -0.052 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])no2)C1 ZINC001573783359 1026632433 /nfs/dbraw/zinc/63/24/33/1026632433.db2.gz YZZCTHRLILITFO-SSDOTTSWSA-N -1 0 317.323 -0.473 20 0 DBADRM CCNC(=O)C(C)(C)NS(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC001573778318 1026632745 /nfs/dbraw/zinc/63/27/45/1026632745.db2.gz UDTGNKVUGLMURV-UHFFFAOYSA-N -1 0 321.399 -0.037 20 0 DBADRM CCOC(=O)C[C@@H](CO)NC(=O)[C@H]1CSCN1C(=O)[O-] ZINC001573786597 1026634033 /nfs/dbraw/zinc/63/40/33/1026634033.db2.gz WCIHIDQIEBASOY-JGVFFNPUSA-N -1 0 306.340 -0.530 20 0 DBADRM CCOC(=O)C[C@H](C)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573786756 1026634093 /nfs/dbraw/zinc/63/40/93/1026634093.db2.gz ZXMRGBBJWPQYNU-ZETCQYMHSA-N -1 0 319.339 -0.025 20 0 DBADRM CCOC(=O)C[C@@H](NC(=O)[C@H](O)CC(=O)[O-])C(F)(F)F ZINC001573786704 1026634556 /nfs/dbraw/zinc/63/45/56/1026634556.db2.gz YKWOKNWPQLYIPR-PHDIDXHHSA-N -1 0 301.217 -0.178 20 0 DBADRM CCOC(=O)CNC(=O)[C@@H]1COCCN1CCCC(=O)[O-] ZINC001573787701 1026634684 /nfs/dbraw/zinc/63/46/84/1026634684.db2.gz JDORYTYGGREPOW-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM CC[C@H](CNC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC001573804116 1026636497 /nfs/dbraw/zinc/63/64/97/1026636497.db2.gz MHIGQDFSQSQKTM-SSDOTTSWSA-N -1 0 301.324 -0.430 20 0 DBADRM CCOC(=O)N1CCN(C(=O)Cn2ncc(C(=O)[O-])n2)CC1 ZINC001573787729 1026635187 /nfs/dbraw/zinc/63/51/87/1026635187.db2.gz KNWMMSLWUBZVHV-UHFFFAOYSA-N -1 0 311.298 -0.723 20 0 DBADRM CC[C@@H](CNC(=O)NCc1nnc2c(=O)n(C)ccn12)C(=O)[O-] ZINC001573797931 1026635778 /nfs/dbraw/zinc/63/57/78/1026635778.db2.gz JIQNDQOVSKBWLC-QMMMGPOBSA-N -1 0 322.325 -0.662 20 0 DBADRM CCOC(=O)c1nc[nH]c1CNS(=O)(=O)CCCC(=O)[O-] ZINC001573792183 1026636039 /nfs/dbraw/zinc/63/60/39/1026636039.db2.gz RIYLLUGTOJBUON-UHFFFAOYSA-N -1 0 319.339 -0.129 20 0 DBADRM CC[C@@H](CNC(=O)NCCNS(=O)(=O)NC(C)C)C(=O)[O-] ZINC001573797762 1026636402 /nfs/dbraw/zinc/63/64/02/1026636402.db2.gz CNODQSXXPQLDOS-VIFPVBQESA-N -1 0 324.403 -0.771 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573801966 1026636655 /nfs/dbraw/zinc/63/66/55/1026636655.db2.gz KIOTUEXEMIDLQZ-RKDXNWHRSA-N -1 0 319.339 -0.420 20 0 DBADRM CCO[C@@H]1COC[C@H]1NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573801038 1026636955 /nfs/dbraw/zinc/63/69/55/1026636955.db2.gz HTVIAOJCJGHEDY-HTQZYQBOSA-N -1 0 319.339 -0.501 20 0 DBADRM CCS(=O)(=O)CC(=O)NCc1nc(CC(=O)[O-])cs1 ZINC001573807385 1026638225 /nfs/dbraw/zinc/63/82/25/1026638225.db2.gz JLMKXSDRZXUPLT-UHFFFAOYSA-N -1 0 306.365 -0.179 20 0 DBADRM CCS(=O)(=O)NCCN1CC[C@H](c2n[nH]cc2C(=O)[O-])C1 ZINC001573807703 1026638482 /nfs/dbraw/zinc/63/84/82/1026638482.db2.gz UOWXFIHTZPCNEO-VIFPVBQESA-N -1 0 316.383 -0.164 20 0 DBADRM CC[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@]1(F)C(=O)[O-] ZINC001573817394 1026638833 /nfs/dbraw/zinc/63/88/33/1026638833.db2.gz OIWDCCJXPOOPIU-DKCNOQQISA-N -1 0 308.331 -0.661 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001573820689 1026639140 /nfs/dbraw/zinc/63/91/40/1026639140.db2.gz QYDPDXVOWOHGFQ-OAHLLOKOSA-N -1 0 311.382 -0.136 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)NCc1cc(C(=O)[O-])no1 ZINC001573807454 1026639319 /nfs/dbraw/zinc/63/93/19/1026639319.db2.gz LVLTVXXZJPNKCL-SSDOTTSWSA-N -1 0 319.339 -0.005 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC001573807724 1026639413 /nfs/dbraw/zinc/63/94/13/1026639413.db2.gz VZURCXHUHHNXCF-UHFFFAOYSA-N -1 0 321.399 -0.131 20 0 DBADRM CCS(=O)(=O)NC1CCN(Cc2nc(C(=O)[O-])no2)CC1 ZINC001573807046 1026639550 /nfs/dbraw/zinc/63/95/50/1026639550.db2.gz CYZCWLGILQWUSU-UHFFFAOYSA-N -1 0 318.355 -0.329 20 0 DBADRM CCn1cc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)nn1 ZINC001573845236 1026641411 /nfs/dbraw/zinc/64/14/11/1026641411.db2.gz YTXCUOLSTRKDMH-MNOVXSKESA-N -1 0 305.294 -0.390 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)N2CC[C@H](NC(N)=O)C2)n1 ZINC001573847534 1026641879 /nfs/dbraw/zinc/64/18/79/1026641879.db2.gz WJCHZLIMBUXDNT-ZETCQYMHSA-N -1 0 310.314 -0.124 20 0 DBADRM CN(C(=O)CN1CCCCS1(=O)=O)c1nc(C(=O)[O-])co1 ZINC001573853062 1026642804 /nfs/dbraw/zinc/64/28/04/1026642804.db2.gz VHPBSKKZSOIVLY-UHFFFAOYSA-N -1 0 317.323 -0.239 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)c2nc3n(n2)CCCN3)CC1 ZINC001573853073 1026643601 /nfs/dbraw/zinc/64/36/01/1026643601.db2.gz VSHWRSXYWKUVSK-UHFFFAOYSA-N -1 0 308.342 -0.434 20 0 DBADRM CCCNC(=O)[C@@H]1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001573856762 1026643840 /nfs/dbraw/zinc/64/38/40/1026643840.db2.gz CERULWHWNFRAJQ-SNVBAGLBSA-N -1 0 323.353 -0.259 20 0 DBADRM C[N@H+](CC(=O)NC[C@]1(C(=O)[O-])CCCOC1)[C@@H]1CCC[C@H]1O ZINC001573864387 1026644654 /nfs/dbraw/zinc/64/46/54/1026644654.db2.gz ASMHPLBFOKKLQQ-LALPHHSUSA-N -1 0 314.382 -0.171 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)Nc1cn(C)cc1C(=O)[O-] ZINC001573864152 1026644934 /nfs/dbraw/zinc/64/49/34/1026644934.db2.gz UWBPDQQOBXSZSQ-UHFFFAOYSA-N -1 0 318.355 -0.264 20 0 DBADRM CN(CC(=O)N1C2CCC(CC2)[C@H]1C(=O)[O-])S(C)(=O)=O ZINC001573864596 1026645285 /nfs/dbraw/zinc/64/52/85/1026645285.db2.gz KKAPZNZEHWLRKK-AMUVOQDHSA-N -1 0 304.368 -0.268 20 0 DBADRM CN([C@@H]1CC(C)(C)OC1=O)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573865586 1026646765 /nfs/dbraw/zinc/64/67/65/1026646765.db2.gz NJRJOIBFWBDORO-SSDOTTSWSA-N -1 0 317.323 -0.178 20 0 DBADRM CN(CCNC(=O)C1CC1)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001573872430 1026647459 /nfs/dbraw/zinc/64/74/59/1026647459.db2.gz CTAPRXNTBFYISB-UHFFFAOYSA-N -1 0 311.382 -0.232 20 0 DBADRM CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)CCNC(=O)[O-] ZINC001573870767 1026647784 /nfs/dbraw/zinc/64/77/84/1026647784.db2.gz RXTBBUAHCIDPRC-SECBINFHSA-N -1 0 319.358 -0.012 20 0 DBADRM CN(C)c1noc(CNC(=O)N2CCO[C@@](C)(C(=O)[O-])C2)n1 ZINC001573865594 1026648089 /nfs/dbraw/zinc/64/80/89/1026648089.db2.gz NOPCRFYXYFLOLJ-GFCCVEGCSA-N -1 0 313.314 -0.479 20 0 DBADRM CN(CCCC(=O)NCC1(S(N)(=O)=O)CCC1)C(=O)[O-] ZINC001573870127 1026648233 /nfs/dbraw/zinc/64/82/33/1026648233.db2.gz GMOSUNTXMZBCDL-UHFFFAOYSA-N -1 0 307.372 -0.296 20 0 DBADRM CN1C[C@H](CCNC(=O)Nc2ncn(CC(=O)[O-])n2)CC1=O ZINC001573882638 1026649604 /nfs/dbraw/zinc/64/96/04/1026649604.db2.gz GYVFQRJBURRMBM-MRVPVSSYSA-N -1 0 310.314 -0.647 20 0 DBADRM CNC(=O)CCCC(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001573890148 1026655583 /nfs/dbraw/zinc/65/55/83/1026655583.db2.gz IUVXFQLRJXDGPB-NRFANRHFSA-N -1 0 318.395 -0.273 20 0 DBADRM CN1CCN(S(=O)(=O)C2CCN(C(=O)[O-])CC2)C[C@H]1CO ZINC001573884380 1026651904 /nfs/dbraw/zinc/65/19/04/1026651904.db2.gz FGNDPVNDVRXIFR-JTQLQIEISA-N -1 0 321.399 -0.933 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CC([C@@H](F)C(=O)[O-])C1 ZINC001573889292 1026652137 /nfs/dbraw/zinc/65/21/37/1026652137.db2.gz GNZPRRZTGNCPBA-KXUCPTDWSA-N -1 0 301.318 -0.035 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CC([C@H](F)C(=O)[O-])C1 ZINC001573889291 1026652614 /nfs/dbraw/zinc/65/26/14/1026652614.db2.gz GNZPRRZTGNCPBA-BBBLOLIVSA-N -1 0 301.318 -0.035 20 0 DBADRM CN1N=C(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccncc2)CCC1=O ZINC001573889311 1026652797 /nfs/dbraw/zinc/65/27/97/1026652797.db2.gz HROJZUMMCNYJDZ-NEPJUHHUSA-N -1 0 320.305 -0.707 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CC([C@@H](F)C(=O)[O-])C1 ZINC001573889293 1026653290 /nfs/dbraw/zinc/65/32/90/1026653290.db2.gz GNZPRRZTGNCPBA-OPRDCNLKSA-N -1 0 301.318 -0.035 20 0 DBADRM CN1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573885673 1026653331 /nfs/dbraw/zinc/65/33/31/1026653331.db2.gz STOHYBNNJBOSOJ-ZJUUUORDSA-N -1 0 314.367 -0.035 20 0 DBADRM CN1CCN(CC(=O)N2C3CCC(CC3)[C@H]2C(=O)[O-])CC1=O ZINC001573884587 1026653362 /nfs/dbraw/zinc/65/33/62/1026653362.db2.gz IPFOJJUATOUXFS-MGULZYLOSA-N -1 0 309.366 -0.385 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C1 ZINC001573884489 1026653770 /nfs/dbraw/zinc/65/37/70/1026653770.db2.gz HIIMMTBVUNAWDC-WISYIIOYSA-N -1 0 318.395 -0.701 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC001573889634 1026654508 /nfs/dbraw/zinc/65/45/08/1026654508.db2.gz OGNOQUHPXTURAH-ZJUUUORDSA-N -1 0 313.354 -0.532 20 0 DBADRM CNC(=O)[C@@H]1CCN(CC(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001573889739 1026654521 /nfs/dbraw/zinc/65/45/21/1026654521.db2.gz VXNBQCFUQSJBRP-MRVPVSSYSA-N -1 0 309.326 -0.875 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@@H]2CSCN2C(=O)[O-])n1 ZINC001573889916 1026655472 /nfs/dbraw/zinc/65/54/72/1026655472.db2.gz CYPQYCCGRTWRAX-LURJTMIESA-N -1 0 314.327 -0.985 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1c1ncc(C(=O)[O-])c(C)n1 ZINC001573890026 1026655476 /nfs/dbraw/zinc/65/54/76/1026655476.db2.gz ICXFDOCAFHBQBG-SECBINFHSA-N -1 0 309.326 -0.383 20 0 DBADRM CN1N=C(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)CCC1=O ZINC001573889707 1026655503 /nfs/dbraw/zinc/65/55/03/1026655503.db2.gz VDIMDZUDVJCJQC-VXGBXAGGSA-N -1 0 320.305 -0.707 20 0 DBADRM CNC(=O)N[C@H]1CCN(C(=O)NCc2cc(C(=O)[O-])no2)C1 ZINC001573890572 1026655576 /nfs/dbraw/zinc/65/55/76/1026655576.db2.gz SLKUMUMZLOBLQL-ZETCQYMHSA-N -1 0 311.298 -0.414 20 0 DBADRM CNS(=O)(=O)CC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001573903077 1026657228 /nfs/dbraw/zinc/65/72/28/1026657228.db2.gz MOQCKMXYFPXUNO-UHFFFAOYSA-N -1 0 312.307 -0.251 20 0 DBADRM CCOC(=O)Cc1csc(CNC(=O)[C@@H](OC)C(=O)[O-])n1 ZINC001573896079 1026657307 /nfs/dbraw/zinc/65/73/07/1026657307.db2.gz MNPUJXNIGBXNQG-SNVBAGLBSA-N -1 0 316.335 -0.036 20 0 DBADRM CC(C)(CO)CCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001573904156 1026657351 /nfs/dbraw/zinc/65/73/51/1026657351.db2.gz LMLZIRIVDRDHLS-UHFFFAOYSA-N -1 0 323.361 -0.834 20 0 DBADRM CNS(=O)(=O)C1CCN(Cc2cc(C(=O)[O-])no2)CC1 ZINC001573902626 1026657771 /nfs/dbraw/zinc/65/77/71/1026657771.db2.gz BYXWXNKISIPJFL-UHFFFAOYSA-N -1 0 303.340 -0.114 20 0 DBADRM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)CCCC(=O)[O-] ZINC001573907098 1026658528 /nfs/dbraw/zinc/65/85/28/1026658528.db2.gz LAVRXBOOWRAAMN-ZCFIWIBFSA-N -1 0 303.283 -0.033 20 0 DBADRM CNc1cnc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccncc2)cn1 ZINC001573910316 1026659611 /nfs/dbraw/zinc/65/96/11/1026659611.db2.gz JYHXFVDALWMXNK-NWDGAFQWSA-N -1 0 317.305 -0.170 20 0 DBADRM CNS(=O)(=O)c1cccc(CNC(=O)[C@H](O)CC(=O)[O-])c1 ZINC001573911005 1026659944 /nfs/dbraw/zinc/65/99/44/1026659944.db2.gz XNMGLYLOZBLTEC-SNVBAGLBSA-N -1 0 316.335 -0.954 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)CC(C)(C)C(=O)[O-] ZINC001573907704 1026660030 /nfs/dbraw/zinc/66/00/30/1026660030.db2.gz RQMQFBPRGMGEPN-QMMMGPOBSA-N -1 0 303.311 -0.092 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001573908659 1026660132 /nfs/dbraw/zinc/66/01/32/1026660132.db2.gz ZYNCHZRVIOXJCB-DOLQZWNJSA-N -1 0 305.352 -0.222 20 0 DBADRM COC(=O)C[C@](C)(NC(=O)[C@H](O)CC(=O)[O-])c1cccnc1 ZINC001573914156 1026661051 /nfs/dbraw/zinc/66/10/51/1026661051.db2.gz FYUQRYNUFBDXQV-YGRLFVJLSA-N -1 0 310.306 -0.188 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)N[C@@H](CC(=O)[O-])C(F)(F)F ZINC001573914492 1026661193 /nfs/dbraw/zinc/66/11/93/1026661193.db2.gz LHQSARLFCGOMBI-RITPCOANSA-N -1 0 316.232 -0.385 20 0 DBADRM COC(=O)[C@@]1(CNC(=O)[C@@H]2CSCN2C(=O)[O-])CCOC1 ZINC001573914966 1026661808 /nfs/dbraw/zinc/66/18/08/1026661808.db2.gz DAUSDAZVVVBLHP-QPUJVOFHSA-N -1 0 318.351 -0.265 20 0 DBADRM COC(=O)C1(NC(=O)Cn2ncc(C(=O)[O-])n2)CCCCC1 ZINC001573916655 1026662780 /nfs/dbraw/zinc/66/27/80/1026662780.db2.gz UHRJMPRZGFLUQZ-UHFFFAOYSA-N -1 0 310.310 -0.032 20 0 DBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1Cc1cnc(C(=O)[O-])s1 ZINC001573915253 1026663317 /nfs/dbraw/zinc/66/33/17/1026663317.db2.gz UAYNZKMYIVXNDE-QMMMGPOBSA-N -1 0 313.335 -0.343 20 0 DBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001573915856 1026663488 /nfs/dbraw/zinc/66/34/88/1026663488.db2.gz KVBJAYAWLJUHII-IUCAKERBSA-N -1 0 321.351 -0.678 20 0 DBADRM CC(C)(NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C1CC1 ZINC001573919641 1026663605 /nfs/dbraw/zinc/66/36/05/1026663605.db2.gz VIRCOFPEYUZXOU-UHFFFAOYSA-N -1 0 319.325 -0.566 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC001573924650 1026664946 /nfs/dbraw/zinc/66/49/46/1026664946.db2.gz BFZOGNAPXFOEDK-UFBFGSQYSA-N -1 0 306.290 -0.322 20 0 DBADRM COC(=O)N[C@H]1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001573924688 1026665067 /nfs/dbraw/zinc/66/50/67/1026665067.db2.gz CLDZQSZOBDSMOV-IUCAKERBSA-N -1 0 321.355 -0.790 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573921952 1026665289 /nfs/dbraw/zinc/66/52/89/1026665289.db2.gz VTPUWTWSVKWKIW-AEJSXWLSSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)N1CC(NCc2cnc3c(C(=O)[O-])cnn3c2)C1 ZINC001573922604 1026665588 /nfs/dbraw/zinc/66/55/88/1026665588.db2.gz ZHBDVVQKCGJXQR-UHFFFAOYSA-N -1 0 305.294 -0.032 20 0 DBADRM COC(=O)C[C@@H](C)NS(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC001573922247 1026665898 /nfs/dbraw/zinc/66/58/98/1026665898.db2.gz IJLOXCLKOWICOU-MRVPVSSYSA-N -1 0 308.356 0.000 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001573934709 1026667162 /nfs/dbraw/zinc/66/71/62/1026667162.db2.gz ARJATXVYDIFNMO-ZETCQYMHSA-N -1 0 317.323 -0.400 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)[O-])C[C@H](C)O1 ZINC001573931009 1026667550 /nfs/dbraw/zinc/66/75/50/1026667550.db2.gz QZWMPNXXVIORKK-YIZRAAEISA-N -1 0 318.351 -0.172 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])C2CCOCC2)O1 ZINC001573931433 1026667572 /nfs/dbraw/zinc/66/75/72/1026667572.db2.gz WHVOBFBLPPABSU-VWYCJHECSA-N -1 0 315.322 -0.297 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1CCN(C(=O)[O-])CC1 ZINC001573934909 1026667707 /nfs/dbraw/zinc/66/77/07/1026667707.db2.gz FZZSSZSLTJMABK-ZJUUUORDSA-N -1 0 300.311 -0.489 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001573929123 1026667775 /nfs/dbraw/zinc/66/77/75/1026667775.db2.gz RVHCQUVSIJWHHW-UWVGGRQHSA-N -1 0 322.383 -0.688 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001573934708 1026668053 /nfs/dbraw/zinc/66/80/53/1026668053.db2.gz ARJATXVYDIFNMO-SSDOTTSWSA-N -1 0 317.323 -0.400 20 0 DBADRM COC1(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)CS(=O)(=O)C1 ZINC001573949211 1026673879 /nfs/dbraw/zinc/67/38/79/1026673879.db2.gz OZIFNKROOPFVEZ-SSDOTTSWSA-N -1 0 319.257 -0.678 20 0 DBADRM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)C2 ZINC001573935629 1026669545 /nfs/dbraw/zinc/66/95/45/1026669545.db2.gz VIUAJPXYHOKCEP-YCWTYVPXSA-N -1 0 312.322 -0.177 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC001573935230 1026669764 /nfs/dbraw/zinc/66/97/64/1026669764.db2.gz MCFUWYLZCCEAFC-PHDIDXHHSA-N -1 0 319.339 -0.108 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)n(C)c1 ZINC001573938757 1026669867 /nfs/dbraw/zinc/66/98/67/1026669867.db2.gz QHNHDJJIUUWIFB-JTQLQIEISA-N -1 0 316.335 -0.047 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C(C)C ZINC001573935426 1026670220 /nfs/dbraw/zinc/67/02/20/1026670220.db2.gz PMSWRYTUMWBUGZ-MRVPVSSYSA-N -1 0 319.339 -0.108 20 0 DBADRM COC(=O)c1cnc(CNS(=O)(=O)CCC(=O)[O-])s1 ZINC001573941038 1026671042 /nfs/dbraw/zinc/67/10/42/1026671042.db2.gz ALIIDLWEEWRRSV-UHFFFAOYSA-N -1 0 308.337 -0.176 20 0 DBADRM COC(=O)c1cn([C@H]2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001573942079 1026671458 /nfs/dbraw/zinc/67/14/58/1026671458.db2.gz ORWYBEBTRPFGJC-DJLDLDEBSA-N -1 0 308.294 -0.441 20 0 DBADRM CO[C@@]1(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)CCS(=O)(=O)C1 ZINC001573947692 1026671807 /nfs/dbraw/zinc/67/18/07/1026671807.db2.gz AVRWYKSUNZKETK-COMAGPEQSA-N -1 0 317.363 -0.631 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])n[nH]1 ZINC001573940926 1026671981 /nfs/dbraw/zinc/67/19/81/1026671981.db2.gz WCBNNIJCPIHAEZ-ZETCQYMHSA-N -1 0 317.323 -0.272 20 0 DBADRM COC(=O)c1cccn(CC(=O)N[C@@H](C(=O)[O-])C2CC2)c1=O ZINC001573941071 1026672138 /nfs/dbraw/zinc/67/21/38/1026672138.db2.gz CCODISNFXIYYKM-LLVKDONJSA-N -1 0 308.290 -0.386 20 0 DBADRM COC(=O)c1ncoc1CCC(=O)N[C@H](CO)CC(=O)[O-] ZINC001573947583 1026672330 /nfs/dbraw/zinc/67/23/30/1026672330.db2.gz JIYXMAIKKZBASS-ZETCQYMHSA-N -1 0 300.267 -0.654 20 0 DBADRM COC(=O)c1ncccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001573948442 1026673267 /nfs/dbraw/zinc/67/32/67/1026673267.db2.gz RTGGJRSTBVFTJC-QMMMGPOBSA-N -1 0 314.319 -0.037 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1n[nH]cc1C(=O)[O-])C(F)(F)F ZINC001573949330 1026673547 /nfs/dbraw/zinc/67/35/47/1026673547.db2.gz PQEYSRIIQVMIBL-RXMQYKEDSA-N -1 0 317.245 -0.037 20 0 DBADRM COC(=O)c1ncccc1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-] ZINC001573948842 1026674017 /nfs/dbraw/zinc/67/40/17/1026674017.db2.gz WZTFLMMZJRAINR-ZETCQYMHSA-N -1 0 302.308 -0.038 20 0 DBADRM CO[C@@]1(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001573949572 1026674402 /nfs/dbraw/zinc/67/44/02/1026674402.db2.gz SPOZLAMJNIRUTG-KWQFWETISA-N -1 0 306.340 -0.941 20 0 DBADRM COC(=O)c1coc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)c1 ZINC001573949064 1026674414 /nfs/dbraw/zinc/67/44/14/1026674414.db2.gz XRSCJWKEKSBTRC-RKDXNWHRSA-N -1 0 312.278 -0.233 20 0 DBADRM COC(=O)c1coc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)c1 ZINC001573949056 1026674418 /nfs/dbraw/zinc/67/44/18/1026674418.db2.gz XRSCJWKEKSBTRC-BDAKNGLRSA-N -1 0 312.278 -0.233 20 0 DBADRM COC[C@H](NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001573986093 1026685278 /nfs/dbraw/zinc/68/52/78/1026685278.db2.gz SRKOUEJJMHTIAE-BDAKNGLRSA-N -1 0 320.342 -0.522 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573966319 1026677382 /nfs/dbraw/zinc/67/73/82/1026677382.db2.gz HQJKRFQKINLWKR-JLIMGVALSA-N -1 0 305.352 -0.585 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573966320 1026678024 /nfs/dbraw/zinc/67/80/24/1026678024.db2.gz HQJKRFQKINLWKR-JXUBOQSCSA-N -1 0 305.352 -0.585 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2C[C@H](C(N)=O)C2)C1 ZINC001573974207 1026681782 /nfs/dbraw/zinc/68/17/82/1026681782.db2.gz IWRIMQRYFRJXBD-BHDSKKPTSA-N -1 0 313.354 -0.227 20 0 DBADRM CCc1nncn1CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001573970086 1026682271 /nfs/dbraw/zinc/68/22/71/1026682271.db2.gz HDZRGYRAANCWSK-VIFPVBQESA-N -1 0 317.371 -0.776 20 0 DBADRM COC[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC001573985116 1026683345 /nfs/dbraw/zinc/68/33/45/1026683345.db2.gz IAVBRYWPWGHPEF-JTQLQIEISA-N -1 0 316.335 -0.908 20 0 DBADRM COC[C@H](NC(=O)CCc1ocnc1C(=O)OC)C(=O)[O-] ZINC001573984957 1026683356 /nfs/dbraw/zinc/68/33/56/1026683356.db2.gz DJMQIVNTEDGJJQ-ZETCQYMHSA-N -1 0 300.267 -0.390 20 0 DBADRM COCCn1cc(C(=O)NCc2nc(C(=O)[O-])n[nH]2)ccc1=O ZINC001573984915 1026683470 /nfs/dbraw/zinc/68/34/70/1026683470.db2.gz BWFLYUNSLJZEBO-UHFFFAOYSA-N -1 0 321.293 -0.759 20 0 DBADRM COCC[C@@H](NC(=O)N[C@H](CC(=O)[O-])C(F)(F)F)C(N)=O ZINC001573977347 1026683484 /nfs/dbraw/zinc/68/34/84/1026683484.db2.gz BPDKLTGPJKSJMW-PHDIDXHHSA-N -1 0 315.248 -0.418 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001573982617 1026683838 /nfs/dbraw/zinc/68/38/38/1026683838.db2.gz CVTGXOLXNSKSHS-SNVBAGLBSA-N -1 0 306.384 -0.714 20 0 DBADRM COCCN(CC(=O)OC)S(=O)(=O)C1(CC(=O)[O-])CC1 ZINC001573984134 1026683858 /nfs/dbraw/zinc/68/38/58/1026683858.db2.gz KFRNAYYSRFWNMQ-UHFFFAOYSA-N -1 0 309.340 -0.555 20 0 DBADRM COCC[C@H](C)CNC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573976683 1026683883 /nfs/dbraw/zinc/68/38/83/1026683883.db2.gz ZJYJZPVSPUBTKM-GARJFASQSA-N -1 0 303.359 -0.071 20 0 DBADRM COCCS(=O)(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001573985176 1026684029 /nfs/dbraw/zinc/68/40/29/1026684029.db2.gz MVPHCTVHSOCPGV-GOSISDBHSA-N -1 0 313.397 -0.740 20 0 DBADRM COCCS(=O)(=O)CC(=O)Nc1onc(C(=O)[O-])c1C ZINC001573985167 1026684166 /nfs/dbraw/zinc/68/41/66/1026684166.db2.gz MHMIMCFFFONQOV-UHFFFAOYSA-N -1 0 306.296 -0.319 20 0 DBADRM COCC[C@H](NC(=O)CC1(C(=O)[O-])CCOCC1)C(=O)OC ZINC001573978470 1026684345 /nfs/dbraw/zinc/68/43/45/1026684345.db2.gz VADDUSXQICQGEJ-JTQLQIEISA-N -1 0 317.338 -0.048 20 0 DBADRM COC[C@H](NC(=O)[C@](C)(O)Cn1c(C)cccc1=O)C(=O)[O-] ZINC001573986064 1026685436 /nfs/dbraw/zinc/68/54/36/1026685436.db2.gz RGARUIPQLSJKSL-IINYFYTJSA-N -1 0 312.322 -0.876 20 0 DBADRM COC[C@H](NC(=O)Cc1nnc(C2CCOCC2)[nH]1)C(=O)[O-] ZINC001573986581 1026686197 /nfs/dbraw/zinc/68/61/97/1026686197.db2.gz YKBLKVHXRKVYQX-VIFPVBQESA-N -1 0 312.326 -0.543 20 0 DBADRM COC[C@H](NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)C(=O)[O-] ZINC001573991305 1026686331 /nfs/dbraw/zinc/68/63/31/1026686331.db2.gz SBJTWLZQXBVWRA-NSHDSACASA-N -1 0 320.305 -0.600 20 0 DBADRM COC[C@H](NC(=O)c1sccc1S(N)(=O)=O)C(=O)[O-] ZINC001573990259 1026686447 /nfs/dbraw/zinc/68/64/47/1026686447.db2.gz AWGDNDZIPKIADW-YFKPBYRVSA-N -1 0 308.337 -0.775 20 0 DBADRM COC[C@H](NC(=O)c1ccnc(N2CCOCC2)n1)C(=O)[O-] ZINC001573990995 1026686520 /nfs/dbraw/zinc/68/65/20/1026686520.db2.gz PPMRMSPOXQSMRJ-JTQLQIEISA-N -1 0 310.310 -0.857 20 0 DBADRM CN1CCC[C@@H](C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)C1=O ZINC001574030210 1026690019 /nfs/dbraw/zinc/69/00/19/1026690019.db2.gz MULIJKZQXJUXBQ-QMMMGPOBSA-N -1 0 322.321 -0.082 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001574023476 1026690161 /nfs/dbraw/zinc/69/01/61/1026690161.db2.gz WWXBREHIUIKAEJ-ZETCQYMHSA-N -1 0 308.294 -0.329 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NCCCCn1cc(C(N)=O)nn1 ZINC001574008108 1026690614 /nfs/dbraw/zinc/69/06/14/1026690614.db2.gz WMRIZNHKAYCMRE-UHFFFAOYSA-N -1 0 312.330 -0.727 20 0 DBADRM CN1CCN(C(=O)CNC(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC001574029524 1026690974 /nfs/dbraw/zinc/69/09/74/1026690974.db2.gz IRGKOGDXUGPRAC-UHFFFAOYSA-N -1 0 321.337 -0.325 20 0 DBADRM CN1CCN(S(=O)(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1 ZINC001574029582 1026691029 /nfs/dbraw/zinc/69/10/29/1026691029.db2.gz ALOZAUMTPUYQBQ-LLVKDONJSA-N -1 0 305.400 -0.335 20 0 DBADRM COc1cc(CS(=O)(=O)NC[C@@](C)(O)C(=O)[O-])sn1 ZINC001574014393 1026691058 /nfs/dbraw/zinc/69/10/58/1026691058.db2.gz CVTDCXRKJIVURY-SECBINFHSA-N -1 0 310.353 -0.593 20 0 DBADRM COC(=O)C1=CC[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001574045659 1026692530 /nfs/dbraw/zinc/69/25/30/1026692530.db2.gz IVVRGYQSDXYLGA-UWVGGRQHSA-N -1 0 318.351 -0.368 20 0 DBADRM COC(=O)[C@H]1CC12CCN(C(=O)c1cn(CC(=O)[O-])nn1)CC2 ZINC001574044847 1026693286 /nfs/dbraw/zinc/69/32/86/1026693286.db2.gz FPUMPQHBBXPFRH-SECBINFHSA-N -1 0 322.321 -0.222 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC001574037059 1026693544 /nfs/dbraw/zinc/69/35/44/1026693544.db2.gz CTSQLDUPNLHQEY-HBNTYKKESA-N -1 0 318.395 -0.115 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cn1 ZINC001574037124 1026693568 /nfs/dbraw/zinc/69/35/68/1026693568.db2.gz GQBXGRRIQIRQKP-DTORHVGOSA-N -1 0 313.335 -0.417 20 0 DBADRM COc1cccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1OC ZINC001574041872 1026693602 /nfs/dbraw/zinc/69/36/02/1026693602.db2.gz SJXISBMJYMLOIX-ZETCQYMHSA-N -1 0 305.308 -0.572 20 0 DBADRM COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001574046491 1026694289 /nfs/dbraw/zinc/69/42/89/1026694289.db2.gz LJEKDPPWAOUEEC-RMLUDKJBSA-N -1 0 323.305 -0.033 20 0 DBADRM COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H](OC)C(=O)[O-])CCO2 ZINC001574047383 1026694296 /nfs/dbraw/zinc/69/42/96/1026694296.db2.gz LBZJXVZJCJMRTE-HVWMPWFPSA-N -1 0 315.322 -0.297 20 0 DBADRM COc1nnccc1NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001574054299 1026694332 /nfs/dbraw/zinc/69/43/32/1026694332.db2.gz LQWVBJGGEVZPOO-VXNVDRBHSA-N -1 0 311.298 -0.423 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)NC(C)(C)CC(=O)[O-])C1=O ZINC001574046662 1026694344 /nfs/dbraw/zinc/69/43/44/1026694344.db2.gz FDDBNNKLESAYDB-VIFPVBQESA-N -1 0 314.338 -0.233 20 0 DBADRM COc1coc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)cc1=O ZINC001574054516 1026694507 /nfs/dbraw/zinc/69/45/07/1026694507.db2.gz MIFKFCJXPFXJMA-HTQZYQBOSA-N -1 0 312.278 -0.651 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001574054414 1026694786 /nfs/dbraw/zinc/69/47/86/1026694786.db2.gz DXSMPADFICAPLY-SNVBAGLBSA-N -1 0 304.318 -0.103 20 0 DBADRM COC(=O)[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1ccc(O)cc1 ZINC001574048478 1026694980 /nfs/dbraw/zinc/69/49/80/1026694980.db2.gz YDPVGGHHJGTUGD-GHMZBOCLSA-N -1 0 322.273 -0.048 20 0 DBADRM COC(=O)CN(CCS(=O)(=O)CC(=O)[O-])C1CCOCC1 ZINC001574066067 1026700450 /nfs/dbraw/zinc/70/04/50/1026700450.db2.gz JYRMDVYPUMOADD-UHFFFAOYSA-N -1 0 323.367 -0.860 20 0 DBADRM CS(=O)(=O)Cc1nc(C(=O)N(CC(=O)[O-])C2CC2)co1 ZINC001574056702 1026695852 /nfs/dbraw/zinc/69/58/52/1026695852.db2.gz DNKUQANTUWCUEZ-UHFFFAOYSA-N -1 0 302.308 -0.092 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)NCc2[nH]cnc2C(=O)[O-])CC1 ZINC001574057169 1026696258 /nfs/dbraw/zinc/69/62/58/1026696258.db2.gz HXPLHHLHYMPYGB-UHFFFAOYSA-N -1 0 315.351 -0.061 20 0 DBADRM CS(=O)(=O)C1(C(=O)[O-])CCN(C(=O)c2ccncn2)CC1 ZINC001574056634 1026696287 /nfs/dbraw/zinc/69/62/87/1026696287.db2.gz CLPICPJWQFFYPS-UHFFFAOYSA-N -1 0 313.335 -0.419 20 0 DBADRM CS(=O)(=O)CC1(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)COC1 ZINC001574057212 1026696628 /nfs/dbraw/zinc/69/66/28/1026696628.db2.gz JWPNTWKBSQGPHW-KXUCPTDWSA-N -1 0 317.363 -0.773 20 0 DBADRM CS(=O)(=O)C1(C(=O)NCc2nc(C(=O)[O-])n[nH]2)CCC1 ZINC001574057500 1026696709 /nfs/dbraw/zinc/69/67/09/1026696709.db2.gz OEHOMAUGWXOOKO-UHFFFAOYSA-N -1 0 302.312 -0.914 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)CO[C@@H]2CCOC2)CC1 ZINC001574059087 1026698344 /nfs/dbraw/zinc/69/83/44/1026698344.db2.gz CMZHIUVUQJQGEB-UZJPJQLHSA-N -1 0 319.379 -0.384 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C1 ZINC001574059093 1026698446 /nfs/dbraw/zinc/69/84/46/1026698446.db2.gz CTMSCVHQCNNCPP-MVCUBJFGSA-N -1 0 316.379 -0.076 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 ZINC001574059720 1026698482 /nfs/dbraw/zinc/69/84/82/1026698482.db2.gz QEOJGPBBDKUOTA-AOUSDQRYSA-N -1 0 316.379 -0.521 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001574059363 1026698647 /nfs/dbraw/zinc/69/86/47/1026698647.db2.gz JCSXZBNPMHXUIK-SGIHWFKDSA-N -1 0 304.368 -0.459 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)CCc2cn[nH]n2)CC1 ZINC001574059314 1026698656 /nfs/dbraw/zinc/69/86/56/1026698656.db2.gz ICIDOMNTFXWWMI-OAQYLSRUSA-N -1 0 314.367 -0.438 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1[nH]cnc1C(=O)[O-] ZINC001574059433 1026698789 /nfs/dbraw/zinc/69/87/89/1026698789.db2.gz KQQXTBBJWGLHBB-QMMMGPOBSA-N -1 0 316.339 -0.852 20 0 DBADRM COC(=O)COCCNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001574066522 1026700054 /nfs/dbraw/zinc/70/00/54/1026700054.db2.gz SRQHUFPFNJFMLK-UWVGGRQHSA-N -1 0 303.311 -0.438 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC001574059723 1026700821 /nfs/dbraw/zinc/70/08/21/1026700821.db2.gz QEOJGPBBDKUOTA-JLTPVHFHSA-N -1 0 316.379 -0.521 20 0 DBADRM CS(=O)(=O)c1ccccc1CNS(=O)(=O)CCC(=O)[O-] ZINC001574059848 1026700867 /nfs/dbraw/zinc/70/08/67/1026700867.db2.gz QLZHQEYVHDIGGJ-UHFFFAOYSA-N -1 0 321.376 -0.016 20 0 DBADRM COC(=O)CCN(C[C@H]1CCCO1)C(=O)[C@@H](OC)C(=O)[O-] ZINC001574061737 1026701151 /nfs/dbraw/zinc/70/11/51/1026701151.db2.gz QOANBLZLSKYOAW-MWLCHTKSSA-N -1 0 303.311 -0.343 20 0 DBADRM COC(=O)N1CC(C)(NC(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001574070459 1026701397 /nfs/dbraw/zinc/70/13/97/1026701397.db2.gz YUBUCXLIWJZREY-UHFFFAOYSA-N -1 0 323.305 -0.497 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C2(C(=O)[O-])CCOCC2)C[C@@H](C)O1 ZINC001574076623 1026701547 /nfs/dbraw/zinc/70/15/47/1026701547.db2.gz KBQPWWPILUELSY-ZJUUUORDSA-N -1 0 315.322 -0.343 20 0 DBADRM COC(=O)c1cc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n(C)n1 ZINC001574082263 1026702133 /nfs/dbraw/zinc/70/21/33/1026702133.db2.gz XNGLXDRVOURMBU-RTHLEPHNSA-N -1 0 323.305 -0.620 20 0 DBADRM CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)[C@H](O)CC(=O)[O-] ZINC001574097465 1026702182 /nfs/dbraw/zinc/70/21/82/1026702182.db2.gz NGOXOPVJXYXCPZ-JGVFFNPUSA-N -1 0 306.340 -0.933 20 0 DBADRM CSC[C@@H](NS(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-] ZINC001574096352 1026702362 /nfs/dbraw/zinc/70/23/62/1026702362.db2.gz IHDPBYFJOFCSKU-SECBINFHSA-N -1 0 318.376 -0.120 20 0 DBADRM CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)CC(=O)[O-] ZINC001574097466 1026702785 /nfs/dbraw/zinc/70/27/85/1026702785.db2.gz NGOXOPVJXYXCPZ-YUMQZZPRSA-N -1 0 306.340 -0.933 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC2(CC(=O)[O-])CCC2)n[nH]1 ZINC001574085512 1026702897 /nfs/dbraw/zinc/70/28/97/1026702897.db2.gz XFTCBBWIMPBFSK-UHFFFAOYSA-N -1 0 317.323 -0.128 20 0 DBADRM CSC[C@H](NC(=O)c1cccnc1OCCO)C(=O)[O-] ZINC001574096411 1026702969 /nfs/dbraw/zinc/70/29/69/1026702969.db2.gz LIIQXIAGPIVBJJ-VIFPVBQESA-N -1 0 300.336 -0.001 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001574097159 1026703201 /nfs/dbraw/zinc/70/32/01/1026703201.db2.gz JGFMDGLODCFHRA-OAQYLSRUSA-N -1 0 313.335 -0.380 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)N1CCC(C(=O)[O-])CC1 ZINC001574097129 1026703472 /nfs/dbraw/zinc/70/34/72/1026703472.db2.gz IQPRINAHQWQLGV-UHFFFAOYSA-N -1 0 305.356 -0.253 20 0 DBADRM C[C@@H]1C[C@H]1NC(=O)N1CCN(c2nc(N)nc(C(=O)[O-])n2)CC1 ZINC001574104734 1026704422 /nfs/dbraw/zinc/70/44/22/1026704422.db2.gz JHKDIPMIMCRVBD-HTQZYQBOSA-N -1 0 321.341 -0.608 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001574099345 1026705252 /nfs/dbraw/zinc/70/52/52/1026705252.db2.gz ZDTRCTFBEAUNFO-ZETCQYMHSA-N -1 0 316.339 -0.938 20 0 DBADRM C[S@](=O)C1(CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)CC1 ZINC001574097760 1026705473 /nfs/dbraw/zinc/70/54/73/1026705473.db2.gz SOMCLQCIRKWWFX-JYFUKTADSA-N -1 0 319.383 -0.833 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(S(=O)(=O)C2COC2)CC1 ZINC001574098194 1026705830 /nfs/dbraw/zinc/70/58/30/1026705830.db2.gz YXRFSJKNTYDQMN-GOSISDBHSA-N -1 0 311.381 -0.987 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccccc1CNS(C)(=O)=O ZINC001574105286 1026706713 /nfs/dbraw/zinc/70/67/13/1026706713.db2.gz OLFBQDTYANPZKP-SNVBAGLBSA-N -1 0 316.335 -0.226 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCN1S(C)(=O)=O ZINC001574105641 1026706836 /nfs/dbraw/zinc/70/68/36/1026706836.db2.gz UJZNOKGEGFAOGL-OUAUKWLOSA-N -1 0 318.395 -0.020 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1S(=O)(=O)N[C@@H]1COC(=O)C1 ZINC001574110654 1026707553 /nfs/dbraw/zinc/70/75/53/1026707553.db2.gz KHAZVNXLPDYWLH-ZETCQYMHSA-N -1 0 302.308 -0.076 20 0 DBADRM Cc1c(C(=O)NCC2(C(=O)[O-])CC2)nnn1-c1cnn(C)c1 ZINC001574113122 1026707975 /nfs/dbraw/zinc/70/79/75/1026707975.db2.gz LKTRXENJWDMGSM-UHFFFAOYSA-N -1 0 304.310 -0.096 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001574114125 1026708115 /nfs/dbraw/zinc/70/81/15/1026708115.db2.gz VMTWDEZLIXCPPD-MRVPVSSYSA-N -1 0 313.335 -0.233 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001574105897 1026708160 /nfs/dbraw/zinc/70/81/60/1026708160.db2.gz XPHMKUATOOXHRD-SAVGLBRCSA-N -1 0 316.379 -0.218 20 0 DBADRM Cc1c(CC(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)cnn1C ZINC001574119383 1026709302 /nfs/dbraw/zinc/70/93/02/1026709302.db2.gz BGYBXAHBBHKROA-KBPBESRZSA-N -1 0 318.333 -0.031 20 0 DBADRM Cc1c(C(=O)[O-])sc2ncnc(N3CC(O)(C(N)=O)C3)c12 ZINC001574122365 1026709576 /nfs/dbraw/zinc/70/95/76/1026709576.db2.gz STPLDGRXQJBGEZ-UHFFFAOYSA-N -1 0 308.319 -0.266 20 0 DBADRM Cc1c(NC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)[nH]nc1C(=O)[O-] ZINC001574119968 1026709610 /nfs/dbraw/zinc/70/96/10/1026709610.db2.gz REPLNPNINWCTEN-HTQZYQBOSA-N -1 0 306.282 -0.044 20 0 DBADRM Cc1c(C(=O)[O-])n[nH]c1NC(=O)C1CN(S(C)(=O)=O)C1 ZINC001574121590 1026709920 /nfs/dbraw/zinc/70/99/20/1026709920.db2.gz NAZBODOVAXMWDN-UHFFFAOYSA-N -1 0 302.312 -0.754 20 0 DBADRM COC[C@](C)(NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)C(=O)OC ZINC001574120707 1026710169 /nfs/dbraw/zinc/71/01/69/1026710169.db2.gz ZDIIUDKKYFNNOC-BFVZDQMLSA-N -1 0 317.338 -0.049 20 0 DBADRM Cc1c(CN(C)S(=O)(=O)c2n[nH]cc2C(=O)[O-])cnn1C ZINC001574121902 1026710234 /nfs/dbraw/zinc/71/02/34/1026710234.db2.gz OEWZVLXSDBGRDT-UHFFFAOYSA-N -1 0 313.339 -0.029 20 0 DBADRM Cc1[nH]c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC001574114424 1026710241 /nfs/dbraw/zinc/71/02/41/1026710241.db2.gz YCEFQUGFBXVSPQ-QMMMGPOBSA-N -1 0 315.351 -0.215 20 0 DBADRM Cc1n[nH]c(CN2CCO[C@H](CS(C)(=O)=O)C2)c1C(=O)[O-] ZINC001574114795 1026710352 /nfs/dbraw/zinc/71/03/52/1026710352.db2.gz YOFBENNCDQFCBM-VIFPVBQESA-N -1 0 317.367 -0.338 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001574131920 1026711298 /nfs/dbraw/zinc/71/12/98/1026711298.db2.gz VYBFEXJRBHEZEW-OAHLLOKOSA-N -1 0 321.333 -0.327 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@H]2C[C@H]2C(=O)OC)C1 ZINC001574131949 1026711484 /nfs/dbraw/zinc/71/14/84/1026711484.db2.gz XOTSAQKGWNJMQL-GPCCPHFNSA-N -1 0 314.338 -0.072 20 0 DBADRM COC[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)[C@H]1CCCOC1 ZINC001574130565 1026712150 /nfs/dbraw/zinc/71/21/50/1026712150.db2.gz OFWIVPULLJWOHG-GXSJLCMTSA-N -1 0 312.326 -0.466 20 0 DBADRM Cc1cc(CCNS(=O)(=O)c2n[nH]cc2C(=O)[O-])nn1C ZINC001574136278 1026712965 /nfs/dbraw/zinc/71/29/65/1026712965.db2.gz ZIIGCEYRUOAYNJ-UHFFFAOYSA-N -1 0 313.339 -0.329 20 0 DBADRM Cc1cc(NC(=O)[C@H](C)NS(C)(=O)=O)n(CC(=O)[O-])n1 ZINC001574136807 1026714223 /nfs/dbraw/zinc/71/42/23/1026714223.db2.gz GPJOFABNPVHOSR-ZETCQYMHSA-N -1 0 304.328 -0.848 20 0 DBADRM Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)[C@H](O)CC(=O)[O-] ZINC001574165903 1026717359 /nfs/dbraw/zinc/71/73/59/1026717359.db2.gz IAINCDSKHROITM-YPMHNXCESA-N -1 0 306.318 -0.170 20 0 DBADRM Cc1cnc2c(cnn2CC(=O)N(CC(N)=O)CC(=O)[O-])c1 ZINC001574172232 1026717509 /nfs/dbraw/zinc/71/75/09/1026717509.db2.gz ACDZDPWEVHAMQY-UHFFFAOYSA-N -1 0 305.294 -0.862 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC(=O)N(C)C[C@H]2C)c1C(=O)[O-] ZINC001574178229 1026717905 /nfs/dbraw/zinc/71/79/05/1026717905.db2.gz AZCPLRJZOBSZJV-ZCFIWIBFSA-N -1 0 316.339 -0.732 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)c1C(=O)[O-] ZINC001574178482 1026718762 /nfs/dbraw/zinc/71/87/62/1026718762.db2.gz IXHHJHBNJOELBZ-KNVOCYPGSA-N -1 0 316.339 -0.699 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)c1C(=O)[O-] ZINC001574182202 1026719405 /nfs/dbraw/zinc/71/94/05/1026719405.db2.gz JQIUWPREDNRHAI-SCSAIBSYSA-N -1 0 317.245 -0.382 20 0 DBADRM Cc1nc(C(=O)N2CCS(=O)(=O)CCO2)ccc1C(=O)[O-] ZINC001574181551 1026720009 /nfs/dbraw/zinc/72/00/09/1026720009.db2.gz APDGDVMGMITRSC-UHFFFAOYSA-N -1 0 314.319 -0.110 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H](CO)C2CCC2)c1C(=O)[O-] ZINC001574182606 1026720298 /nfs/dbraw/zinc/72/02/98/1026720298.db2.gz PWGHYDCPXKXXGR-QMMMGPOBSA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1nc(C)c(C(=O)N2CCOC[C@@H]2C(=O)NCC(=O)[O-])[nH]1 ZINC001574181624 1026720786 /nfs/dbraw/zinc/72/07/86/1026720786.db2.gz CFHYESGBBJWNBH-SECBINFHSA-N -1 0 310.310 -0.932 20 0 DBADRM Cc1nc(C(=O)NC2(C(=O)[O-])CCCC2)nn1-c1nc[nH]n1 ZINC001574181293 1026720906 /nfs/dbraw/zinc/72/09/06/1026720906.db2.gz SKBHTSMJFLGQBN-UHFFFAOYSA-N -1 0 305.298 -0.179 20 0 DBADRM Cc1nnsc1CNC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001574197022 1026721689 /nfs/dbraw/zinc/72/16/89/1026721689.db2.gz GDTFXWPCAVLNPL-SFYZADRCSA-N -1 0 315.355 -0.384 20 0 DBADRM CC(C)CCNC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001574195832 1026721715 /nfs/dbraw/zinc/72/17/15/1026721715.db2.gz AUSFLAUEZCMZOY-UHFFFAOYSA-N -1 0 321.341 -0.319 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)CC2 ZINC001574194170 1026721877 /nfs/dbraw/zinc/72/18/77/1026721877.db2.gz YQTDDVSBFZLRQU-VIFPVBQESA-N -1 0 314.367 -0.172 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])C1 ZINC001574197871 1026722211 /nfs/dbraw/zinc/72/22/11/1026722211.db2.gz GVPAQOVVOVOFPF-ZWNOBZJWSA-N -1 0 310.310 -0.827 20 0 DBADRM Cc1nn(CC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)c(=O)n1C ZINC001574197755 1026722266 /nfs/dbraw/zinc/72/22/66/1026722266.db2.gz GJQZJWFDPCYFFY-VIFPVBQESA-N -1 0 310.232 -0.588 20 0 DBADRM Cc1nn(CC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)c(=O)n1C ZINC001574197746 1026722493 /nfs/dbraw/zinc/72/24/93/1026722493.db2.gz GJQZJWFDPCYFFY-SECBINFHSA-N -1 0 310.232 -0.588 20 0 DBADRM Cc1nc[nH]c(=O)c1CCC(=O)N1C[C@H](C(=O)[O-])C2(COC2)C1 ZINC001574191340 1026722516 /nfs/dbraw/zinc/72/25/16/1026722516.db2.gz FGJBKEIHYIGYFO-LLVKDONJSA-N -1 0 321.333 -0.017 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)s1 ZINC001574192253 1026722650 /nfs/dbraw/zinc/72/26/50/1026722650.db2.gz PYWVOMXGPYAYPY-HTQZYQBOSA-N -1 0 321.380 -0.299 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)s1 ZINC001574192271 1026723206 /nfs/dbraw/zinc/72/32/06/1026723206.db2.gz PYWVOMXGPYAYPY-SFYZADRCSA-N -1 0 321.380 -0.299 20 0 DBADRM Cc1ncn(CC(=O)N(C)CC(=O)[O-])c(=O)c1Br ZINC001574198210 1026723595 /nfs/dbraw/zinc/72/35/95/1026723595.db2.gz NILHBGKOYALAKQ-UHFFFAOYSA-N -1 0 318.127 -0.143 20 0 DBADRM Cc1nn(CCS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)c(=O)o1 ZINC001574199379 1026723692 /nfs/dbraw/zinc/72/36/92/1026723692.db2.gz ALGVQPIKCBXABO-MRVPVSSYSA-N -1 0 321.355 -0.437 20 0 DBADRM Cc1nn(CCS(=O)(=O)N[C@@H](C)CCC(=O)[O-])c(=O)o1 ZINC001574199654 1026724125 /nfs/dbraw/zinc/72/41/25/1026724125.db2.gz DBGWOEJEZIASQY-ZETCQYMHSA-N -1 0 307.328 -0.683 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])o1 ZINC001574199377 1026724309 /nfs/dbraw/zinc/72/43/09/1026724309.db2.gz AIAGLZRLVHOJLF-LYFYHCNISA-N -1 0 313.314 -0.284 20 0 DBADRM Cc1nn(CCS(=O)(=O)N(CCC(=O)[O-])C2CC2)c(=O)o1 ZINC001574201346 1026724382 /nfs/dbraw/zinc/72/43/82/1026724382.db2.gz YDROOUAQCHVKMD-UHFFFAOYSA-N -1 0 319.339 -0.586 20 0 DBADRM Cc1noc(CCNC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001574198302 1026724630 /nfs/dbraw/zinc/72/46/30/1026724630.db2.gz SFQHMRYZMJWIEF-IUCAKERBSA-N -1 0 313.314 -0.810 20 0 DBADRM Cc1nonc1CC(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001574206526 1026724887 /nfs/dbraw/zinc/72/48/87/1026724887.db2.gz TVGQOQKQLPETIB-NWDGAFQWSA-N -1 0 306.278 -0.381 20 0 DBADRM Cc1sc(NC(=O)[C@H]2CCS(=O)(=O)N2)nc1C(=O)[O-] ZINC001574208111 1026726775 /nfs/dbraw/zinc/72/67/75/1026726775.db2.gz RDSRKULZTQOUGD-RXMQYKEDSA-N -1 0 305.337 -0.220 20 0 DBADRM Cn1c(=O)cc(N2CCC(C(=O)[O-])([S@@](C)=O)CC2)[nH]c1=O ZINC001574210080 1026727070 /nfs/dbraw/zinc/72/70/70/1026727070.db2.gz WZPCUTCYEIPKLM-OAQYLSRUSA-N -1 0 315.351 -0.712 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)N1CCC(CO)(CO)CC1 ZINC001574209484 1026727383 /nfs/dbraw/zinc/72/73/83/1026727383.db2.gz OKPACNCMMVDBBQ-UHFFFAOYSA-N -1 0 312.326 -0.283 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)NCc2cc(C(=O)[O-])no2)cn1 ZINC001574212470 1026727779 /nfs/dbraw/zinc/72/77/79/1026727779.db2.gz OBAHIYNBMKACDE-JTQLQIEISA-N -1 0 309.282 -0.361 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)c3cc(C(=O)[O-])no3)C2=O)cn1 ZINC001574213435 1026727862 /nfs/dbraw/zinc/72/78/62/1026727862.db2.gz HVYCJVZGSVKESU-QMMMGPOBSA-N -1 0 319.277 -0.358 20 0 DBADRM Cn1cc(CC(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)cn1 ZINC001574212464 1026728083 /nfs/dbraw/zinc/72/80/83/1026728083.db2.gz NTJPKOLKMDHXOT-STQMWFEESA-N -1 0 304.306 -0.339 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccncc2)cn1 ZINC001574212091 1026728141 /nfs/dbraw/zinc/72/81/41/1026728141.db2.gz IYCIPYVNGNXHOF-TUAOUCFPSA-N -1 0 320.305 -0.849 20 0 DBADRM Cn1cc(CC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)cn1 ZINC001574212458 1026728278 /nfs/dbraw/zinc/72/82/78/1026728278.db2.gz NTJPKOLKMDHXOT-OLZOCXBDSA-N -1 0 304.306 -0.339 20 0 DBADRM Cn1cc(NC(=O)N[C@H](CO)CC2OCCO2)cc1C(=O)[O-] ZINC001574213492 1026728775 /nfs/dbraw/zinc/72/87/75/1026728775.db2.gz JWIQBBXSXFHGMF-VIFPVBQESA-N -1 0 313.310 -0.031 20 0 DBADRM Cn1cc(Br)cc(NC(=O)[C@@H](O)CC(=O)[O-])c1=O ZINC001574211863 1026728965 /nfs/dbraw/zinc/72/89/65/1026728965.db2.gz OUQAQQCRIWUOTE-ZETCQYMHSA-N -1 0 319.111 -0.078 20 0 DBADRM Cn1cc(C[C@H](CO)NS(=O)(=O)CCCC(=O)[O-])cn1 ZINC001574212073 1026729056 /nfs/dbraw/zinc/72/90/56/1026729056.db2.gz IMPBTQFJXWRVEF-SNVBAGLBSA-N -1 0 305.356 -0.892 20 0 DBADRM Cn1cc(NC(=O)N2CCS(=O)(=O)CC2)c(C(=O)[O-])c1 ZINC001574213825 1026729152 /nfs/dbraw/zinc/72/91/52/1026729152.db2.gz WEZVRLXWSQNOQP-UHFFFAOYSA-N -1 0 301.324 -0.014 20 0 DBADRM Cn1cc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)c(C(N)=O)n1 ZINC001574213884 1026729206 /nfs/dbraw/zinc/72/92/06/1026729206.db2.gz XRTDKORGPAWXSD-QMMMGPOBSA-N -1 0 309.326 -0.746 20 0 DBADRM Cn1cc(NC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c(C(=O)[O-])c1 ZINC001574220534 1026730008 /nfs/dbraw/zinc/73/00/08/1026730008.db2.gz OKLCWJANRMGIBS-XVKPBYJWSA-N -1 0 310.310 -0.122 20 0 DBADRM Cn1cc(NC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c(C(=O)[O-])c1 ZINC001574220533 1026730231 /nfs/dbraw/zinc/73/02/31/1026730231.db2.gz OKLCWJANRMGIBS-XCBNKYQSSA-N -1 0 310.310 -0.122 20 0 DBADRM Cn1cc(NC(=O)NCC(=O)N2CCOCC2)c(C(=O)[O-])c1 ZINC001574220825 1026730290 /nfs/dbraw/zinc/73/02/90/1026730290.db2.gz RTQRWZJWISGCBZ-UHFFFAOYSA-N -1 0 310.310 -0.296 20 0 DBADRM Cn1cncc1CC(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001574221627 1026730302 /nfs/dbraw/zinc/73/03/02/1026730302.db2.gz TUUGBHCFGVFZLD-OAQYLSRUSA-N -1 0 313.379 -0.213 20 0 DBADRM Cn1cc(NC(=O)NCC2(S(N)(=O)=O)CC2)cc1C(=O)[O-] ZINC001574220021 1026730382 /nfs/dbraw/zinc/73/03/82/1026730382.db2.gz JTEOQJUPDPJSGT-UHFFFAOYSA-N -1 0 316.339 -0.334 20 0 DBADRM Cn1ccc(CCNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001574225001 1026731032 /nfs/dbraw/zinc/73/10/32/1026731032.db2.gz VCQWPEWWHIIWTP-MWLCHTKSSA-N -1 0 311.342 -0.768 20 0 DBADRM Cn1cnnc1COCC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001574221756 1026731918 /nfs/dbraw/zinc/73/19/18/1026731918.db2.gz YFTPPAGSJVZLDY-UWVGGRQHSA-N -1 0 312.326 -0.530 20 0 DBADRM Cn1cncc1CC(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001574221626 1026731932 /nfs/dbraw/zinc/73/19/32/1026731932.db2.gz TUUGBHCFGVFZLD-NRFANRHFSA-N -1 0 313.379 -0.213 20 0 DBADRM Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1-n1cnnc1 ZINC001574226249 1026731953 /nfs/dbraw/zinc/73/19/53/1026731953.db2.gz ADPOCJKFLHOTHL-MRVPVSSYSA-N -1 0 305.298 -0.517 20 0 DBADRM Cn1nnc2ccc(C(=O)N[C@H]3CN(C(=O)[O-])C[C@H]3CO)cc21 ZINC001574229294 1026733680 /nfs/dbraw/zinc/73/36/80/1026733680.db2.gz YQLJPHVTXGJSMD-ONGXEEELSA-N -1 0 319.321 -0.331 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)C2CCN(C(=O)[O-])CC2)C1 ZINC001574228554 1026733893 /nfs/dbraw/zinc/73/38/93/1026733893.db2.gz MAHHKPXNYSQDPJ-UHFFFAOYSA-N -1 0 309.326 -0.765 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001574247507 1026735006 /nfs/dbraw/zinc/73/50/06/1026735006.db2.gz DKEPHSHWYHTABE-IVZWLZJFSA-N -1 0 304.368 -0.363 20 0 DBADRM NC(=O)[C@@H]1CC[C@H]1C(=O)N1CC[C@H](c2n[nH]cc2C(=O)[O-])C1 ZINC001574247997 1026735463 /nfs/dbraw/zinc/73/54/63/1026735463.db2.gz HSAZVEJQNOJTME-DJLDLDEBSA-N -1 0 306.322 -0.065 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001574242983 1026735890 /nfs/dbraw/zinc/73/58/90/1026735890.db2.gz RGTUSIIHOOYCLU-ZJUUUORDSA-N -1 0 307.368 -0.601 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cn1 ZINC001574247506 1026736114 /nfs/dbraw/zinc/73/61/14/1026736114.db2.gz DEFARNJCUREUHT-VIFPVBQESA-N -1 0 314.319 -0.589 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)N2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC001574248877 1026737158 /nfs/dbraw/zinc/73/71/58/1026737158.db2.gz MWCQPJZGQJPSBR-SFYZADRCSA-N -1 0 313.314 -0.942 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)c1csc(-c2ncc[nH]2)n1 ZINC001574254753 1026739286 /nfs/dbraw/zinc/73/92/86/1026739286.db2.gz GUBABLIBQRGYRV-UHFFFAOYSA-N -1 0 309.307 -0.455 20 0 DBADRM NC(=O)COC1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC001574254569 1026740622 /nfs/dbraw/zinc/74/06/22/1026740622.db2.gz CFLUHMUVFOKCHE-VIFPVBQESA-N -1 0 317.367 -0.468 20 0 DBADRM NC(=O)CCC(=O)N1CCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC001574250068 1026740661 /nfs/dbraw/zinc/74/06/61/1026740661.db2.gz WKHVWIILDCSXPK-UHFFFAOYSA-N -1 0 306.322 -0.306 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)C1 ZINC001574256465 1026741709 /nfs/dbraw/zinc/74/17/09/1026741709.db2.gz DRTLLPNDKUKCBK-RBLKWDMZSA-N -1 0 321.333 -0.414 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)cn1 ZINC001574259240 1026742242 /nfs/dbraw/zinc/74/22/42/1026742242.db2.gz JCWDQGVPDYKKTD-GBIKHYSHSA-N -1 0 303.318 -0.098 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001574256315 1026742849 /nfs/dbraw/zinc/74/28/49/1026742849.db2.gz CFJUZMCNESDKKL-VHSXEESVSA-N -1 0 319.383 -0.729 20 0 DBADRM NC(=O)N1CC[C@H](CNC(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC001574256327 1026743018 /nfs/dbraw/zinc/74/30/18/1026743018.db2.gz CJFWNEUBEJBQCZ-SFYZADRCSA-N -1 0 302.356 -0.444 20 0 DBADRM NC(=O)Cn1cc(CN(CCc2ccccc2)CC(=O)[O-])nn1 ZINC001574257477 1026743195 /nfs/dbraw/zinc/74/31/95/1026743195.db2.gz ZJAQIMZCYBVAAZ-UHFFFAOYSA-N -1 0 317.349 -0.107 20 0 DBADRM N=C1NC(=O)C(CC(=O)NC[C@]2(C(=O)[O-])CCCOC2)S1 ZINC001574268761 1026744568 /nfs/dbraw/zinc/74/45/68/1026744568.db2.gz GMQQAZVYKCDUDJ-JMCQJSRRSA-N -1 0 315.351 -0.460 20 0 DBADRM NC(=O)c1ccc(N2CCN(C(=O)[C@H](O)CC(=O)[O-])CC2)cc1 ZINC001574260317 1026746006 /nfs/dbraw/zinc/74/60/06/1026746006.db2.gz ZYRFJNIYWCGYOU-GFCCVEGCSA-N -1 0 321.333 -0.730 20 0 DBADRM NS(=O)(=O)c1ccc2ncn(CCCC(=O)[O-])c(=O)c2c1 ZINC001574280757 1026746944 /nfs/dbraw/zinc/74/69/44/1026746944.db2.gz RZKBBJSBECNOSZ-UHFFFAOYSA-N -1 0 311.319 -0.091 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC001574279493 1026747572 /nfs/dbraw/zinc/74/75/72/1026747572.db2.gz DEIJLMULUXWPKA-PSASIEDQSA-N -1 0 308.356 -0.949 20 0 DBADRM NS(=O)(=O)NC1CN(C(=O)c2ccc(NC(=O)[O-])cc2)C1 ZINC001574279445 1026747617 /nfs/dbraw/zinc/74/76/17/1026747617.db2.gz CKZREHBFZUDEEZ-UHFFFAOYSA-N -1 0 314.323 -0.606 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001574281276 1026748748 /nfs/dbraw/zinc/74/87/48/1026748748.db2.gz ZTANJCNAKSZOQC-RKDXNWHRSA-N -1 0 308.356 -0.806 20 0 DBADRM Nc1ccnn1CC(=O)N1CCC[C@@H]1c1n[nH]nc1C(=O)[O-] ZINC001574291518 1026749078 /nfs/dbraw/zinc/74/90/78/1026749078.db2.gz IWUTUOQPKXKEGP-SSDOTTSWSA-N -1 0 305.298 -0.355 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC001574292049 1026751034 /nfs/dbraw/zinc/75/10/34/1026751034.db2.gz SNCFWEIBXIFLLW-SNVBAGLBSA-N -1 0 302.294 -0.236 20 0 DBADRM Nc1nnn(CC(=O)N2C[C@@H](C(=O)[O-])Cc3cc(F)ccc32)n1 ZINC001574291584 1026751142 /nfs/dbraw/zinc/75/11/42/1026751142.db2.gz JXUBGBIOGAXTGF-QMMMGPOBSA-N -1 0 320.284 -0.316 20 0 DBADRM Nc1nc(C(=O)[O-])nc(N2CCN(C(=O)c3ccc[nH]3)CC2)n1 ZINC001574291208 1026751533 /nfs/dbraw/zinc/75/15/33/1026751533.db2.gz CMPPRCZNNFCIRT-UHFFFAOYSA-N -1 0 317.309 -0.558 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCn1ccnn1)[C@H](O)c1cccnc1 ZINC001574299899 1026752517 /nfs/dbraw/zinc/75/25/17/1026752517.db2.gz VYAJITYBUPKYPV-NWDGAFQWSA-N -1 0 305.294 -0.634 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCN1CCCC1=O)[C@H](O)c1ccncc1 ZINC001574293278 1026752641 /nfs/dbraw/zinc/75/26/41/1026752641.db2.gz AZXFDHWVOXEKBU-UONOGXRCSA-N -1 0 321.333 -0.303 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCn1ccnc1)[C@H](O)c1cccnc1 ZINC001574299506 1026752983 /nfs/dbraw/zinc/75/29/83/1026752983.db2.gz LWMCDXGSHYXOOR-QWHCGFSZSA-N -1 0 304.306 -0.029 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)CCc2ccc(=O)[nH]c2)C1 ZINC001574299730 1026753010 /nfs/dbraw/zinc/75/30/10/1026753010.db2.gz RCQNAYMIFMTMSH-QWRGUYRKSA-N -1 0 309.322 -0.193 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@@H]1CCNC1=O)[C@H](O)c1ccncc1 ZINC001574293576 1026753419 /nfs/dbraw/zinc/75/34/19/1026753419.db2.gz KZVWOTQMWPETPC-ZMLRMANQSA-N -1 0 307.306 -0.789 20 0 DBADRM O=C([O-])[C@H](NC(=O)CNC(=O)C1CC1)[C@@H](O)c1cccnc1 ZINC001574300114 1026753556 /nfs/dbraw/zinc/75/35/56/1026753556.db2.gz BCEQCJWVIAHIOX-NEPJUHHUSA-N -1 0 307.306 -0.789 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCCC1=O)[C@H](O)c1ccncc1 ZINC001574299532 1026753934 /nfs/dbraw/zinc/75/39/34/1026753934.db2.gz NCJFEEOWBVIHMH-CHWSQXEVSA-N -1 0 307.306 -0.693 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CC1C(=O)N=CNC1=O)[C@H]1CCCOC1 ZINC001574302711 1026754689 /nfs/dbraw/zinc/75/46/89/1026754689.db2.gz MTFBFYLZQLARSE-XVKPBYJWSA-N -1 0 311.294 -0.574 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)CN1C[C@@H](CO)[C@H](CO)C1 ZINC001574300144 1026755923 /nfs/dbraw/zinc/75/59/23/1026755923.db2.gz DBQXZTLRSSLLMT-QWRGUYRKSA-N -1 0 308.334 -0.144 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CO[C@@H]1CCOC1)[C@H](O)c1cccnc1 ZINC001574300484 1026755974 /nfs/dbraw/zinc/75/59/74/1026755974.db2.gz MSCROANVVXSTPN-KGYLQXTDSA-N -1 0 310.306 -0.510 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2cnc3n2CCOC3)[C@@H](CO)C1 ZINC001574311124 1026756585 /nfs/dbraw/zinc/75/65/85/1026756585.db2.gz BLQYSQUYCVDUAD-BDAKNGLRSA-N -1 0 310.310 -0.886 20 0 DBADRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)c1ccc2nnnn2c1 ZINC001574309492 1026756743 /nfs/dbraw/zinc/75/67/43/1026756743.db2.gz XBTIVJLVIQHGQS-VHSXEESVSA-N -1 0 305.294 -0.124 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)N[C@H](CO)C[C@H]2CCCO2)C1 ZINC001574310417 1026756851 /nfs/dbraw/zinc/75/68/51/1026756851.db2.gz SDYWDAHCYWFQHE-OUAUKWLOSA-N -1 0 301.343 -0.032 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1ccc(=O)[nH]n1)[C@H](O)c1cccnc1 ZINC001574308828 1026756987 /nfs/dbraw/zinc/75/69/87/1026756987.db2.gz PFKNGRSMPQHCHH-GHMZBOCLSA-N -1 0 304.262 -0.506 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1ccnc(CO)c1)[C@@H](O)c1ccncc1 ZINC001574307854 1026757001 /nfs/dbraw/zinc/75/70/01/1026757001.db2.gz CBOBZQZONDSKQS-OLZOCXBDSA-N -1 0 317.301 -0.115 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cn(C2CC2)nn1)[C@@H](O)c1ccncc1 ZINC001574308094 1026757018 /nfs/dbraw/zinc/75/70/18/1026757018.db2.gz FUHMFCDFJMFCAZ-RYUDHWBXSA-N -1 0 317.305 -0.075 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001574311126 1026758003 /nfs/dbraw/zinc/75/80/03/1026758003.db2.gz BLQYSQUYCVDUAD-IUCAKERBSA-N -1 0 310.310 -0.886 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cnncc1O)[C@H](O)c1ccncc1 ZINC001574309157 1026758136 /nfs/dbraw/zinc/75/81/36/1026758136.db2.gz UFWQZMQWPSOWIH-WDEREUQCSA-N -1 0 304.262 -0.506 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)C1 ZINC001574313865 1026758717 /nfs/dbraw/zinc/75/87/17/1026758717.db2.gz MXMNJHWWTIQHII-ZDLIJIFBSA-N -1 0 310.306 -0.425 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2ncnc3[nH]ccc32)C1 ZINC001574312250 1026759017 /nfs/dbraw/zinc/75/90/17/1026759017.db2.gz YRUIHXYAMWWNAA-VXNVDRBHSA-N -1 0 305.294 -0.390 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2noc3c2COCC3)[C@@H](CO)C1 ZINC001574311443 1026759443 /nfs/dbraw/zinc/75/94/43/1026759443.db2.gz IGFKONJPDYUWNK-APPZFPTMSA-N -1 0 311.294 -0.552 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001574311516 1026759834 /nfs/dbraw/zinc/75/98/34/1026759834.db2.gz JJMURVVSWAYZAJ-UFGOTCBOSA-N -1 0 320.349 -0.332 20 0 DBADRM CC(C)OCC(=O)N[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574318376 1026760973 /nfs/dbraw/zinc/76/09/73/1026760973.db2.gz BGRLEJJHRHNKAU-SECBINFHSA-N -1 0 320.357 -0.580 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)NCC[C@]2(O)CCOC2)CCCOC1 ZINC001574319287 1026761476 /nfs/dbraw/zinc/76/14/76/1026761476.db2.gz KONDOLXMQLLFSY-KGLIPLIRSA-N -1 0 316.354 -0.292 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)NCCC2(O)CCC2)C1 ZINC001574319476 1026761703 /nfs/dbraw/zinc/76/17/03/1026761703.db2.gz MADRLBURQQHEPQ-NXEZZACHSA-N -1 0 301.343 -0.439 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)NCCc2cscn2)C1 ZINC001574323616 1026761891 /nfs/dbraw/zinc/76/18/91/1026761891.db2.gz JKRTWROIMTVMJG-WCBMZHEXSA-N -1 0 314.367 -0.045 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)NCC[C@@]2(O)CCOC2)CCCOC1 ZINC001574319430 1026762140 /nfs/dbraw/zinc/76/21/40/1026762140.db2.gz KONDOLXMQLLFSY-ZIAGYGMSSA-N -1 0 316.354 -0.292 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)NCCc2cscn2)[C@@H](CO)C1 ZINC001574323615 1026762416 /nfs/dbraw/zinc/76/24/16/1026762416.db2.gz JKRTWROIMTVMJG-SCZZXKLOSA-N -1 0 314.367 -0.045 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)NCc2ccc(=O)[nH]n2)CCCOC1 ZINC001574327152 1026763280 /nfs/dbraw/zinc/76/32/80/1026763280.db2.gz XSYVPIWHHGJLNG-CYBMUJFWSA-N -1 0 310.310 -0.137 20 0 DBADRM O=C([O-])N1CCC(C(=O)NCc2nnc3c(=O)[nH]ccn23)CC1 ZINC001574333671 1026763820 /nfs/dbraw/zinc/76/38/20/1026763820.db2.gz HFBRRPUFGBDWQK-UHFFFAOYSA-N -1 0 320.309 -0.576 20 0 DBADRM CC(C)OCc1noc(Cn2cnc(-c3nnn[n-]3)cc2=O)n1 ZINC001574341320 1026764156 /nfs/dbraw/zinc/76/41/56/1026764156.db2.gz VSIDTIVZAFPAGW-UHFFFAOYSA-N -1 0 318.297 -0.220 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)Nc2cnc3nccn3c2)C1 ZINC001574345068 1026764192 /nfs/dbraw/zinc/76/41/92/1026764192.db2.gz DPHWJUYLLOGFIB-PSASIEDQSA-N -1 0 320.309 -0.179 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)NCc2ccc(=O)[nH]n2)CCCOC1 ZINC001574327153 1026764384 /nfs/dbraw/zinc/76/43/84/1026764384.db2.gz XSYVPIWHHGJLNG-ZDUSSCGKSA-N -1 0 310.310 -0.137 20 0 DBADRM O=C([O-])c1cc(CNC(=O)NC2CN(c3ccncn3)C2)on1 ZINC001574327157 1026764866 /nfs/dbraw/zinc/76/48/66/1026764866.db2.gz XYRAJQYIRKCRCE-UHFFFAOYSA-N -1 0 318.293 -0.149 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3c(=O)[nH]cnc3cn2)CCO1 ZINC001574355396 1026765706 /nfs/dbraw/zinc/76/57/06/1026765706.db2.gz BKINVDLIAXBYSB-JTQLQIEISA-N -1 0 304.262 -0.344 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)Cc1ccno1)[C@@H]1CCCOC1 ZINC001574354169 1026766725 /nfs/dbraw/zinc/76/67/25/1026766725.db2.gz YWOTUUJYWBKQBC-PSASIEDQSA-N -1 0 304.324 -0.026 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)c2nc3ncc(CCO)cn3n2)C1 ZINC001574355876 1026767856 /nfs/dbraw/zinc/76/78/56/1026767856.db2.gz QGQIAVJIOKCQKQ-SECBINFHSA-N -1 0 305.294 -0.794 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC001574360712 1026768288 /nfs/dbraw/zinc/76/82/88/1026768288.db2.gz APCHSQDSOKQZSD-LLVKDONJSA-N -1 0 307.306 -0.798 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N[C@H]1CCC2(C1)OCCO2 ZINC001574355707 1026768524 /nfs/dbraw/zinc/76/85/24/1026768524.db2.gz INDAJDIWQQXJEP-VHSXEESVSA-N -1 0 320.367 -0.335 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2O ZINC001574358820 1026769023 /nfs/dbraw/zinc/76/90/23/1026769023.db2.gz ZEARPQJUTKHBTE-HQJQHLMTSA-N -1 0 310.306 -0.278 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)CCNC(=O)Cc1ccccc1 ZINC001574356300 1026769356 /nfs/dbraw/zinc/76/93/56/1026769356.db2.gz CUVBXQBRHLEKSX-GFCCVEGCSA-N -1 0 308.334 -0.313 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)C1 ZINC001574355910 1026769587 /nfs/dbraw/zinc/76/95/87/1026769587.db2.gz SFUUNQFAUKUFRA-UTLUCORTSA-N -1 0 318.351 -0.867 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001574356064 1026769733 /nfs/dbraw/zinc/76/97/33/1026769733.db2.gz ATYXMPVSINOZOF-QYNIQEEDSA-N -1 0 312.244 -0.747 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N1CCC(OC[C@H]2CCOC2)CC1 ZINC001574361754 1026770389 /nfs/dbraw/zinc/77/03/89/1026770389.db2.gz IOMUODNSPAKJPQ-CMPLNLGQSA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001574362845 1026770528 /nfs/dbraw/zinc/77/05/28/1026770528.db2.gz MGIMAYMARQAPIY-HOSYDEDBSA-N -1 0 306.318 -0.370 20 0 DBADRM O=C([O-])CC1(NC(=O)CNC(=O)NCc2ccco2)COC1 ZINC001574364321 1026770585 /nfs/dbraw/zinc/77/05/85/1026770585.db2.gz CBCXGFFLOUEILP-UHFFFAOYSA-N -1 0 311.294 -0.561 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001574363331 1026770614 /nfs/dbraw/zinc/77/06/14/1026770614.db2.gz OXDDHNXPWHLIJD-CHWSQXEVSA-N -1 0 320.345 -0.013 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N[C@@H]1CCc2nnnn2CC1 ZINC001574361094 1026770661 /nfs/dbraw/zinc/77/06/61/1026770661.db2.gz BGYDSOZMKQXMFP-MRVPVSSYSA-N -1 0 303.344 -0.838 20 0 DBADRM O=C([O-])CCN(CC1CC1)C(=O)c1cnn(C[C@H](O)CO)c1 ZINC001574362341 1026770800 /nfs/dbraw/zinc/77/08/00/1026770800.db2.gz SBUBMLAJCZDGPV-LBPRGKRZSA-N -1 0 311.338 -0.437 20 0 DBADRM O=C([O-])CC1(S(=O)(=O)N2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC001574365004 1026770898 /nfs/dbraw/zinc/77/08/98/1026770898.db2.gz LNHXKRPWPKBNQT-LLVKDONJSA-N -1 0 302.352 -0.465 20 0 DBADRM O=C([O-])CC1(S(=O)(=O)N2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC001574365005 1026771449 /nfs/dbraw/zinc/77/14/49/1026771449.db2.gz LNHXKRPWPKBNQT-NSHDSACASA-N -1 0 302.352 -0.465 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)Nc1cccnc1N1CCC(O)CC1 ZINC001574364658 1026771680 /nfs/dbraw/zinc/77/16/80/1026771680.db2.gz GRSKWWNXCNIRIW-LLVKDONJSA-N -1 0 309.322 -0.183 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC001574364456 1026771725 /nfs/dbraw/zinc/77/17/25/1026771725.db2.gz YIYMJEJDUQRECW-NXEZZACHSA-N -1 0 308.338 -0.234 20 0 DBADRM O=C([O-])Cc1nnc(NC(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)s1 ZINC001574374904 1026772951 /nfs/dbraw/zinc/77/29/51/1026772951.db2.gz AFZPOVYUNNPRCL-WDSKDSINSA-N -1 0 312.307 -0.198 20 0 DBADRM O=C([O-])Cc1cnc(NC(=O)N(CCO)CCCO)s1 ZINC001574371044 1026773269 /nfs/dbraw/zinc/77/32/69/1026773269.db2.gz HFAGWTIPAPLKAX-UHFFFAOYSA-N -1 0 303.340 -0.021 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)n1 ZINC001574374981 1026773537 /nfs/dbraw/zinc/77/35/37/1026773537.db2.gz CABPXUWGJTVBIJ-UTLUCORTSA-N -1 0 310.310 -0.107 20 0 DBADRM O=C([O-])CC1(S(=O)(=O)N2CC[C@@]3(CCOC3=O)C2)CC1 ZINC001574365563 1026773978 /nfs/dbraw/zinc/77/39/78/1026773978.db2.gz ZVJVCKXEEVZLIE-LLVKDONJSA-N -1 0 303.336 -0.038 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001574376626 1026774582 /nfs/dbraw/zinc/77/45/82/1026774582.db2.gz HCPBHMONCKEPTP-RKDXNWHRSA-N -1 0 301.324 -0.669 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2C[C@H](CO)[C@H](CCO)C2)n1 ZINC001574375171 1026774885 /nfs/dbraw/zinc/77/48/85/1026774885.db2.gz HUVOPBWIBRWXIP-NXEZZACHSA-N -1 0 312.326 -0.578 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NS(=O)(=O)c2cscn2)C1 ZINC001574377400 1026775055 /nfs/dbraw/zinc/77/50/55/1026775055.db2.gz PSEWJPWCMRFHCL-BQBZGAKWSA-N -1 0 307.353 -0.608 20 0 DBADRM O=C([O-])Cc1nnc(NC(=O)NCC[C@@H]2CNC(=O)C2)s1 ZINC001574375580 1026775285 /nfs/dbraw/zinc/77/52/85/1026775285.db2.gz ROVNJNDIFJZZNM-LURJTMIESA-N -1 0 313.339 -0.187 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)N2C[C@H](CO)[C@@H](CCO)C2)C1 ZINC001574376336 1026775587 /nfs/dbraw/zinc/77/55/87/1026775587.db2.gz CUUVEXBBCIHMLJ-AXFHLTTASA-N -1 0 301.343 -0.629 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCCn3nncc3C2)n1 ZINC001574375383 1026775597 /nfs/dbraw/zinc/77/55/97/1026775597.db2.gz MNTSEACXKRWAQD-UHFFFAOYSA-N -1 0 305.298 -0.003 20 0 DBADRM O=C([O-])Cc1nnc(NC(=O)[C@@H]2CSCC(=O)N2)s1 ZINC001574375351 1026776111 /nfs/dbraw/zinc/77/61/11/1026776111.db2.gz LUHFSWCFNKNKMD-BYPYZUCNSA-N -1 0 302.337 -0.665 20 0 DBADRM O=C([O-])N[C@@H]1CCCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)C1 ZINC001574381157 1026777512 /nfs/dbraw/zinc/77/75/12/1026777512.db2.gz WJDPIKHGOXFXCB-FBIMIBRVSA-N -1 0 309.326 -0.154 20 0 DBADRM O=C([O-])N[C@H]1CCCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001574380821 1026778396 /nfs/dbraw/zinc/77/83/96/1026778396.db2.gz JAJRUGADVVWLLT-IUCAKERBSA-N -1 0 309.326 -0.195 20 0 DBADRM O=C([O-])c1cc(CNC(=O)N2CCN3C(=O)N=NC3C2)on1 ZINC001574408965 1026780148 /nfs/dbraw/zinc/78/01/48/1026780148.db2.gz UGJLCOSRQKEIAT-UHFFFAOYSA-N -1 0 308.254 -0.605 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)on1 ZINC001574405447 1026780272 /nfs/dbraw/zinc/78/02/72/1026780272.db2.gz GHSQYLPYTGUFBC-SFYZADRCSA-N -1 0 314.319 -0.121 20 0 DBADRM O=C([O-])c1n[nH]c(NC(=O)[C@@H]2CCS(=O)(=O)N2)c1C1CC1 ZINC001574406013 1026780610 /nfs/dbraw/zinc/78/06/10/1026780610.db2.gz RISJSLPOOQDUFD-LURJTMIESA-N -1 0 314.323 -0.385 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)on1 ZINC001574405448 1026780624 /nfs/dbraw/zinc/78/06/24/1026780624.db2.gz GHSQYLPYTGUFBC-YUMQZZPRSA-N -1 0 314.319 -0.121 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)[C@H]2CCc3nncn3CC2)n1 ZINC001574422646 1026781958 /nfs/dbraw/zinc/78/19/58/1026781958.db2.gz JIFOUYXTBTXCHE-ZETCQYMHSA-N -1 0 305.298 -0.637 20 0 DBADRM O=C([O-])c1cnn2cc(CN3CCN(CCO)CC3)cnc12 ZINC001574422677 1026782592 /nfs/dbraw/zinc/78/25/92/1026782592.db2.gz JZPJIPJCKJKGOT-UHFFFAOYSA-N -1 0 305.338 -0.463 20 0 DBADRM O=C([O-])c1ncc(Br)c(N[C@@H]2COC[C@H]2O)n1 ZINC001574423391 1026782806 /nfs/dbraw/zinc/78/28/06/1026782806.db2.gz PFHVMPJQQKQYEB-PHDIDXHHSA-N -1 0 304.100 -0.469 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC(CO)(CO)C2)c(F)c1 ZINC001574415927 1026783201 /nfs/dbraw/zinc/78/32/01/1026783201.db2.gz XVCOITSXMCASHN-UHFFFAOYSA-N -1 0 319.310 -0.501 20 0 DBADRM Cc1nc(N)nc(C)c1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001574422126 1026783485 /nfs/dbraw/zinc/78/34/85/1026783485.db2.gz WHCOWUCIHOAPNI-UHFFFAOYSA-N -1 0 307.310 -0.955 20 0 DBADRM Cc1nc(C)c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])o1 ZINC001574417937 1026783531 /nfs/dbraw/zinc/78/35/31/1026783531.db2.gz YTKZVDDUXTYPPR-QMMMGPOBSA-N -1 0 302.308 -0.385 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CC[C@]2(CCOC2=O)C1 ZINC001574417305 1026783814 /nfs/dbraw/zinc/78/38/14/1026783814.db2.gz JXCUZHLNFFWRFS-NSHDSACASA-N -1 0 315.307 -0.564 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCC3(COC(=O)N3)CC2)CCC1 ZINC001574435734 1026786853 /nfs/dbraw/zinc/78/68/53/1026786853.db2.gz SYXITJRPPABDQV-UHFFFAOYSA-N -1 0 318.351 -0.102 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@H]1CCC(=O)N1)[C@H](O)c1ccncc1 ZINC001574431507 1026788020 /nfs/dbraw/zinc/78/80/20/1026788020.db2.gz ZTZDETIFTGWFHJ-JIMOISOXSA-N -1 0 307.306 -0.647 20 0 DBADRM Cn1ccc(CCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001574456427 1026790245 /nfs/dbraw/zinc/79/02/45/1026790245.db2.gz IKLSZHRAGFSAQZ-JTQLQIEISA-N -1 0 315.351 -0.937 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC001574462353 1026791837 /nfs/dbraw/zinc/79/18/37/1026791837.db2.gz MONBPVQSXOOIFP-RTHLEPHNSA-N -1 0 306.322 -0.154 20 0 DBADRM NS(=O)(=O)CCCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001574508485 1026792764 /nfs/dbraw/zinc/79/27/64/1026792764.db2.gz XLDCYYULWUCIDA-VHSXEESVSA-N -1 0 319.383 -0.583 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC001574507557 1026793784 /nfs/dbraw/zinc/79/37/84/1026793784.db2.gz NYDLGRCBCNOQQR-QMMMGPOBSA-N -1 0 313.335 -0.470 20 0 DBADRM CNC(=O)CN(C)C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001574563995 1026794585 /nfs/dbraw/zinc/79/45/85/1026794585.db2.gz CBLVHLILIZSDFF-QMMMGPOBSA-N -1 0 317.342 -0.441 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)C1 ZINC001574589231 1026797373 /nfs/dbraw/zinc/79/73/73/1026797373.db2.gz YKNZDPWEBSKNRB-KXNHARMFSA-N -1 0 320.349 -0.214 20 0 DBADRM C[C@H](CCCO)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001574583874 1026797970 /nfs/dbraw/zinc/79/79/70/1026797970.db2.gz GKXRAYXEHXPBSN-BDAKNGLRSA-N -1 0 308.346 -0.456 20 0 DBADRM C[C@@H](CCCO)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001574584754 1026798284 /nfs/dbraw/zinc/79/82/84/1026798284.db2.gz RKJVTBAJXXWSGN-VIFPVBQESA-N -1 0 323.361 -0.834 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CCO1 ZINC001574657716 1026799388 /nfs/dbraw/zinc/79/93/88/1026799388.db2.gz GBVLQYQPPGRIMG-SECBINFHSA-N -1 0 304.266 -0.813 20 0 DBADRM O=C([O-])C1(C(=O)NCc2cnccn2)CCS(=O)(=O)CC1 ZINC001574633804 1026799853 /nfs/dbraw/zinc/79/98/53/1026799853.db2.gz XYOUOVXJCPQLAD-UHFFFAOYSA-N -1 0 313.335 -0.628 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C1 ZINC001574644735 1026800169 /nfs/dbraw/zinc/80/01/69/1026800169.db2.gz XYCTVRCRJJHPQL-UISBYWKRSA-N -1 0 321.289 -0.037 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])[nH]2)C1 ZINC001574646282 1026800259 /nfs/dbraw/zinc/80/02/59/1026800259.db2.gz WVQDNPORQRUMCO-QMMMGPOBSA-N -1 0 315.351 -0.133 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)NC[C@H](O)C(=O)[O-])ccc1F ZINC001574646288 1026800271 /nfs/dbraw/zinc/80/02/71/1026800271.db2.gz ZLETWEZEIIAPOZ-QMMMGPOBSA-N -1 0 305.283 -0.596 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C\[C@@H]1CCOC1 ZINC001574670147 1026802393 /nfs/dbraw/zinc/80/23/93/1026802393.db2.gz YIWLVSAKOIIJBU-SZXTZRQCSA-N -1 0 303.336 -0.711 20 0 DBADRM C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](O)C(=O)[O-] ZINC001574662780 1026802425 /nfs/dbraw/zinc/80/24/25/1026802425.db2.gz YYKNOTLYUXKILG-ONGXEEELSA-N -1 0 310.306 -0.137 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574669544 1026802488 /nfs/dbraw/zinc/80/24/88/1026802488.db2.gz UKLIECKYKPZOAK-UKKRHICBSA-N -1 0 317.363 -0.488 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCc2ccc[nH]c2=O)C1=O ZINC001574719213 1026803050 /nfs/dbraw/zinc/80/30/50/1026803050.db2.gz HZCAATABFOUXRQ-SNVBAGLBSA-N -1 0 307.306 -0.273 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCc2cnc3n2CCC3)C1=O ZINC001574718762 1026803121 /nfs/dbraw/zinc/80/31/21/1026803121.db2.gz CWZFFHVUXSPITO-LLVKDONJSA-N -1 0 320.349 -0.231 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)Nc2nc3ccccn3n2)C1=O ZINC001574722233 1026803390 /nfs/dbraw/zinc/80/33/90/1026803390.db2.gz LCDUMBYXVLYXNJ-SECBINFHSA-N -1 0 317.305 -0.009 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCCc2nc(N)no2)c1 ZINC000424691016 412489174 /nfs/dbraw/zinc/48/91/74/412489174.db2.gz MOPYEMWLLBFOQF-QFIPXVFZSA-N -1 0 324.362 0.127 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)NC[C@@H]1COCCO1)C(=O)[O-] ZINC000424513939 282081077 /nfs/dbraw/zinc/08/10/77/282081077.db2.gz FMQJUZBHFFTPLX-SNVBAGLBSA-N -1 0 316.354 -0.475 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)c2nc(N)nc(N(C)C)n2)[n-]1 ZINC000593900892 412490404 /nfs/dbraw/zinc/49/04/04/412490404.db2.gz IOKQXOITDMRABX-UHFFFAOYSA-N -1 0 320.313 -0.328 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1Cc1nc(N)nc(N(C)C)n1 ZINC000643878072 412493262 /nfs/dbraw/zinc/49/32/62/412493262.db2.gz IQEVIUVXMIAPKF-ZDUSSCGKSA-N -1 0 310.358 -0.415 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000090629048 185307367 /nfs/dbraw/zinc/30/73/67/185307367.db2.gz JQLYIDJKMMOPPF-VIFPVBQESA-N -1 0 300.336 -0.137 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263200904 295701071 /nfs/dbraw/zinc/70/10/71/295701071.db2.gz XIKSRQCIKDLPEM-KXUCPTDWSA-N -1 0 306.384 -0.022 20 0 DBADRM CCn1cc([N-]S(=O)(=O)c2c(C)onc2N)c(C(N)=O)n1 ZINC000584842379 412510041 /nfs/dbraw/zinc/51/00/41/412510041.db2.gz RMQYLKYNCFQNNP-UHFFFAOYSA-N -1 0 314.327 -0.319 20 0 DBADRM CO[C@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2c(C)onc2N)C1 ZINC000517233747 412510311 /nfs/dbraw/zinc/51/03/11/412510311.db2.gz ACVZDKMBFWKMKO-SFYZADRCSA-N -1 0 319.339 -0.182 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1c(N)noc1C ZINC000496074968 412517068 /nfs/dbraw/zinc/51/70/68/412517068.db2.gz FBEFCTFYKLDXFH-UHFFFAOYSA-N -1 0 320.327 -0.494 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-] ZINC000568001966 412526660 /nfs/dbraw/zinc/52/66/60/412526660.db2.gz MUZWWLPEHWACSA-SSDOTTSWSA-N -1 0 319.339 -0.182 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1[C@@H](C)SC[C@H]1C(=O)[O-] ZINC000582669696 412527361 /nfs/dbraw/zinc/52/73/61/412527361.db2.gz CFVJBDGTXFPXSZ-RITPCOANSA-N -1 0 307.353 0.102 20 0 DBADRM Cc1[nH]nc([N-]S(=O)(=O)c2c(N)noc2C)c1C(N)=O ZINC000578717484 412527555 /nfs/dbraw/zinc/52/75/55/412527555.db2.gz MGKPFUNOHNFUFA-UHFFFAOYSA-N -1 0 300.300 -0.504 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000408481949 412527745 /nfs/dbraw/zinc/52/77/45/412527745.db2.gz ZEEKMDUTRAQNME-BWZBUEFSSA-N -1 0 301.324 -0.205 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N(C)[C@H](C)C(=O)[O-] ZINC000583381086 412536272 /nfs/dbraw/zinc/53/62/72/412536272.db2.gz WPVGGJNDUQGEKG-MRVPVSSYSA-N -1 0 306.326 -0.203 20 0 DBADRM CCCC(=O)N1CSC[C@H]1C(=O)NCCOCC(=O)[O-] ZINC000263460896 282589301 /nfs/dbraw/zinc/58/93/01/282589301.db2.gz PYGRPLSEFILONH-VIFPVBQESA-N -1 0 304.368 -0.095 20 0 DBADRM C[C@@H](C(=O)NCc1n[nH]c(=O)[n-]1)N1C(=O)NC2(CCCC2)C1=O ZINC000359801205 295782434 /nfs/dbraw/zinc/78/24/34/295782434.db2.gz KMMZFMGDXGFCES-ZETCQYMHSA-N -1 0 322.325 -0.620 20 0 DBADRM Nc1noc(CCNC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)n1 ZINC000359580051 412541662 /nfs/dbraw/zinc/54/16/62/412541662.db2.gz RGQOZHYTDGQLQD-UHFFFAOYSA-N -1 0 316.277 -0.032 20 0 DBADRM Nc1nsc(N2CCN(c3ncncc3C(=O)[O-])CC2)n1 ZINC000572124096 412542912 /nfs/dbraw/zinc/54/29/12/412542912.db2.gz IEBIFCWEVDRCEH-UHFFFAOYSA-N -1 0 307.339 -0.065 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)c2cccc(-n3cnnn3)c2)CCC1 ZINC000282778502 304033908 /nfs/dbraw/zinc/03/39/08/304033908.db2.gz IIZJTTYZMOMPSP-UHFFFAOYSA-N -1 0 323.334 -0.052 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000372731184 291009642 /nfs/dbraw/zinc/00/96/42/291009642.db2.gz ZTJCMGFRUFDRKV-LLVKDONJSA-N -1 0 308.356 -0.335 20 0 DBADRM CCCN(C)S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000262410359 283066765 /nfs/dbraw/zinc/06/67/65/283066765.db2.gz LLIHKUUPRXIBOG-SECBINFHSA-N -1 0 309.388 -0.516 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000420545975 304049326 /nfs/dbraw/zinc/04/93/26/304049326.db2.gz BDSWMNCZBHVKRJ-UWVGGRQHSA-N -1 0 311.338 -0.763 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)Cc1cc(C)on1)C(=O)OC ZINC000340859128 138101281 /nfs/dbraw/zinc/10/12/81/138101281.db2.gz CUESLCBFYGNUPM-VIFPVBQESA-N -1 0 320.323 -0.493 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)NCc1cc(C(N)=O)no1 ZINC000341493429 138109761 /nfs/dbraw/zinc/10/97/61/138109761.db2.gz LXGCXNKWXLWFQF-UHFFFAOYSA-N -1 0 319.339 -0.608 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@@]1(C(=O)OC)CCOC1 ZINC000341459792 138110135 /nfs/dbraw/zinc/11/01/35/138110135.db2.gz GJRDSBZPIUONKZ-LBPRGKRZSA-N -1 0 323.367 -0.563 20 0 DBADRM NC(=O)[C@@H](CO)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000341725843 138113440 /nfs/dbraw/zinc/11/34/40/138113440.db2.gz DAFGEUVOQGUJQM-SECBINFHSA-N -1 0 308.269 -0.707 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000341915975 138116545 /nfs/dbraw/zinc/11/65/45/138116545.db2.gz OVDYWMJIMCHSNQ-ZCFIWIBFSA-N -1 0 313.383 -0.553 20 0 DBADRM Cc1cc(C(=O)N(C)[C@H]2COC[C@H]2O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000342308817 138122958 /nfs/dbraw/zinc/12/29/58/138122958.db2.gz HFZWWEJAHXFZEX-DTWKUNHWSA-N -1 0 320.305 -0.424 20 0 DBADRM O=C(NC[C@H](O)C(F)F)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000355149388 138139374 /nfs/dbraw/zinc/13/93/74/138139374.db2.gz JPHUOSGSRACPAN-LURJTMIESA-N -1 0 300.221 -0.208 20 0 DBADRM COC(=O)c1cnc(C(=O)NC2(c3nnn[n-]3)CCCC2)cn1 ZINC000355179748 138139976 /nfs/dbraw/zinc/13/99/76/138139976.db2.gz HEMHUZBTFWYFSK-UHFFFAOYSA-N -1 0 317.309 -0.024 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)[C@H]1COCCN1CC(F)F ZINC000356785259 138144578 /nfs/dbraw/zinc/14/45/78/138144578.db2.gz UUSWJDJLWRMJPD-SSDOTTSWSA-N -1 0 302.285 -0.729 20 0 DBADRM COC[C@H](CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)OC ZINC000358238504 138149116 /nfs/dbraw/zinc/14/91/16/138149116.db2.gz HBTGHTJGRFGBKK-QMMMGPOBSA-N -1 0 308.294 -0.173 20 0 DBADRM O=C(Cc1[nH]c(O)nc1O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000358526010 138150547 /nfs/dbraw/zinc/15/05/47/138150547.db2.gz KPVRWOQNPKNWJW-QMMMGPOBSA-N -1 0 301.266 -0.597 20 0 DBADRM COc1ccsc1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC000370431253 138157536 /nfs/dbraw/zinc/15/75/36/138157536.db2.gz SJRRBCXFVNRCOF-BQBZGAKWSA-N -1 0 307.349 -0.035 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N1CCN2CCOC[C@H]2C1 ZINC000370535250 138158227 /nfs/dbraw/zinc/15/82/27/138158227.db2.gz JAFYRNUGPOYXDH-MRVPVSSYSA-N -1 0 303.306 -0.601 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1COCCN1C1CCCC1 ZINC000370554622 138158611 /nfs/dbraw/zinc/15/86/11/138158611.db2.gz OVDDRYNICWYQOE-NSHDSACASA-N -1 0 310.354 -0.335 20 0 DBADRM COCC1(C(=O)[O-])CCN(S(=O)(=O)c2ccnn2C)CC1 ZINC000370606776 138158720 /nfs/dbraw/zinc/15/87/20/138158720.db2.gz OTBJTQOCLWDACU-UHFFFAOYSA-N -1 0 317.367 -0.078 20 0 DBADRM CC(C)(O)CO[N-]C(=O)CNS(=O)(=O)c1ccccc1F ZINC000298938230 535312631 /nfs/dbraw/zinc/31/26/31/535312631.db2.gz NDLJEGYQZOTWOO-UHFFFAOYSA-N -1 0 320.342 -0.077 20 0 DBADRM C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CN1CC(=O)NC1=O ZINC000373349166 138171796 /nfs/dbraw/zinc/17/17/96/138171796.db2.gz HBXMVIWDTNRXMM-NSHDSACASA-N -1 0 324.381 -0.750 20 0 DBADRM COCC1(C(=O)[O-])CCN(C(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000373560801 138172940 /nfs/dbraw/zinc/17/29/40/138172940.db2.gz LEOJUDBVQZKYTP-UHFFFAOYSA-N -1 0 311.338 -0.066 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000374873733 138178974 /nfs/dbraw/zinc/17/89/74/138178974.db2.gz DZLMLLOOMGBUCT-HTQZYQBOSA-N -1 0 311.367 -0.128 20 0 DBADRM CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CCS(C)(=O)=O ZINC000376591842 138188790 /nfs/dbraw/zinc/18/87/90/138188790.db2.gz GADWVQZSCVSKSD-BDAKNGLRSA-N -1 0 313.397 -0.454 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)CC1=O ZINC000407992844 138201563 /nfs/dbraw/zinc/20/15/63/138201563.db2.gz VHJGLHGTJYRVJN-MNOVXSKESA-N -1 0 318.395 -0.130 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)CC1=O ZINC000407992843 138201578 /nfs/dbraw/zinc/20/15/78/138201578.db2.gz VHJGLHGTJYRVJN-GHMZBOCLSA-N -1 0 318.395 -0.130 20 0 DBADRM O=C(CN1CCCCC1=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000408135995 138208116 /nfs/dbraw/zinc/20/81/16/138208116.db2.gz AJEPBOSUGHAMHD-NSHDSACASA-N -1 0 318.395 -0.129 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)cnn1C ZINC000408149535 138208854 /nfs/dbraw/zinc/20/88/54/138208854.db2.gz RCDBVTOLPCUBPL-UHFFFAOYSA-N -1 0 314.367 -0.454 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)C2CCCCC2)c(=O)[nH]c1=O ZINC000408367998 138216141 /nfs/dbraw/zinc/21/61/41/138216141.db2.gz AFSAZPKVDWXZEG-UHFFFAOYSA-N -1 0 315.351 -0.122 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)nc1C ZINC000408262875 138212862 /nfs/dbraw/zinc/21/28/62/138212862.db2.gz OHFYKMZDWMTGCB-VIFPVBQESA-N -1 0 303.340 -0.568 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCO2)[C@@H]1COCCO1 ZINC000408278159 138213118 /nfs/dbraw/zinc/21/31/18/138213118.db2.gz UKHSOLAYGLVJMA-NSHDSACASA-N -1 0 315.303 -0.364 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]([N-]S(=O)(=O)CC(F)(F)F)C1 ZINC000408310547 138214246 /nfs/dbraw/zinc/21/42/46/138214246.db2.gz SNXRAXDEOLNYRY-ZETCQYMHSA-N -1 0 324.346 -0.108 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000408300603 138214457 /nfs/dbraw/zinc/21/44/57/138214457.db2.gz YOGBIWQRJVMWPV-SNVBAGLBSA-N -1 0 317.367 -0.183 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408397267 138216835 /nfs/dbraw/zinc/21/68/35/138216835.db2.gz XFCUJMHLNZLEPB-VIFPVBQESA-N -1 0 318.351 -0.850 20 0 DBADRM Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)c2n1 ZINC000408390649 138217524 /nfs/dbraw/zinc/21/75/24/138217524.db2.gz XZICRDMJJMRPFU-SECBINFHSA-N -1 0 310.335 -0.114 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000408422688 138217758 /nfs/dbraw/zinc/21/77/58/138217758.db2.gz TUASGLAGCPMRQJ-VXGBXAGGSA-N -1 0 318.395 -0.130 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000408408858 138217761 /nfs/dbraw/zinc/21/77/61/138217761.db2.gz RHKYDFNZHZJCFG-ONGXEEELSA-N -1 0 316.379 -0.378 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000408422686 138217811 /nfs/dbraw/zinc/21/78/11/138217811.db2.gz TUASGLAGCPMRQJ-NWDGAFQWSA-N -1 0 318.395 -0.130 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1cnn2cccnc12 ZINC000408408655 138218017 /nfs/dbraw/zinc/21/80/17/138218017.db2.gz PVIBIJRJMIDAJO-VIFPVBQESA-N -1 0 310.335 -0.032 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1cnn2cccnc12 ZINC000408408653 138218153 /nfs/dbraw/zinc/21/81/53/138218153.db2.gz PVIBIJRJMIDAJO-SECBINFHSA-N -1 0 310.335 -0.032 20 0 DBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)c1=O ZINC000408402607 138218231 /nfs/dbraw/zinc/21/82/31/138218231.db2.gz IWPDRIGIYUPZDJ-VIFPVBQESA-N -1 0 300.336 -0.376 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000408428432 138218553 /nfs/dbraw/zinc/21/85/53/138218553.db2.gz UQJYKATXJNDBDR-KOLCDFICSA-N -1 0 316.379 -0.378 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408446436 138219128 /nfs/dbraw/zinc/21/91/28/138219128.db2.gz LLWCDVCCEUKCQA-ZJUUUORDSA-N -1 0 304.368 -0.330 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000408454494 138219956 /nfs/dbraw/zinc/21/99/56/138219956.db2.gz UWKGGMJEMCATAC-NEPJUHHUSA-N -1 0 320.411 -0.278 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CN1CCOCC1 ZINC000408485151 138220203 /nfs/dbraw/zinc/22/02/03/138220203.db2.gz PCCXVBNPLSDLEB-UHFFFAOYSA-N -1 0 316.383 -0.826 20 0 DBADRM C[C@]1(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)CCC(=O)NC1 ZINC000408478806 138220252 /nfs/dbraw/zinc/22/02/52/138220252.db2.gz KMKMHRYTYBJUBP-CABZTGNLSA-N -1 0 304.368 -0.472 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000408480401 138220392 /nfs/dbraw/zinc/22/03/92/138220392.db2.gz HPAIMYYKTQZKRC-SECBINFHSA-N -1 0 319.408 -0.023 20 0 DBADRM COc1cncc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)n1 ZINC000408478211 138220400 /nfs/dbraw/zinc/22/04/00/138220400.db2.gz IMVGVFBQBCIHBR-QMMMGPOBSA-N -1 0 301.324 -0.276 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCO2)[C@@H]1COCCO1 ZINC000408485178 138220402 /nfs/dbraw/zinc/22/04/02/138220402.db2.gz PJLSWESGWGITEZ-LBPRGKRZSA-N -1 0 313.331 -0.158 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)CC1=O ZINC000408505148 138220409 /nfs/dbraw/zinc/22/04/09/138220409.db2.gz WGDGFYFIALBZRP-ZJUUUORDSA-N -1 0 304.368 -0.520 20 0 DBADRM O=C([N-]S(=O)(=O)c1cccnc1)[C@@H]1CCCCS1(=O)=O ZINC000408486320 138220512 /nfs/dbraw/zinc/22/05/12/138220512.db2.gz SALXPURNPWOQTC-JTQLQIEISA-N -1 0 318.376 -0.146 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1cnn2c1OCCC2 ZINC000408489683 138220530 /nfs/dbraw/zinc/22/05/30/138220530.db2.gz VJHHCZHWAFTBRG-MRVPVSSYSA-N -1 0 301.324 -0.486 20 0 DBADRM O=C([O-])CN1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000035680384 304067824 /nfs/dbraw/zinc/06/78/24/304067824.db2.gz JUZJCWMCCAAMAQ-UHFFFAOYSA-N -1 0 305.400 -0.191 20 0 DBADRM CCOc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cn1 ZINC000275314086 535388838 /nfs/dbraw/zinc/38/88/38/535388838.db2.gz OKBUULBZCKYXIJ-UHFFFAOYSA-N -1 0 304.324 -0.452 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000026467484 304074591 /nfs/dbraw/zinc/07/45/91/304074591.db2.gz SJYHGYVFYYHJLV-SNVBAGLBSA-N -1 0 316.310 -0.211 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-])cn1 ZINC000262402549 291171909 /nfs/dbraw/zinc/17/19/09/291171909.db2.gz KDZSKPRTOPTLFV-MRVPVSSYSA-N -1 0 319.339 -0.603 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N(C)C[C@H](C)C(=O)[O-])cn1 ZINC000262402551 291172205 /nfs/dbraw/zinc/17/22/05/291172205.db2.gz KDZSKPRTOPTLFV-QMMMGPOBSA-N -1 0 319.339 -0.603 20 0 DBADRM CO[C@H](CNC(=O)Cn1cnc2c(C)cccc2c1=O)C(=O)[O-] ZINC000427756853 236916258 /nfs/dbraw/zinc/91/62/58/236916258.db2.gz IMVCCXBSYCRZRD-LLVKDONJSA-N -1 0 319.317 -0.079 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)CCO1 ZINC000262754856 304084391 /nfs/dbraw/zinc/08/43/91/304084391.db2.gz KWOPEBCCHRIRHN-LBPRGKRZSA-N -1 0 317.305 -0.022 20 0 DBADRM C[C@H](O)C(=O)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000152885826 283578882 /nfs/dbraw/zinc/57/88/82/283578882.db2.gz QYMVSUJYGOCEAE-JTQLQIEISA-N -1 0 305.338 -0.952 20 0 DBADRM CO[C@@H](CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)CC(=O)[O-] ZINC000232107949 283583116 /nfs/dbraw/zinc/58/31/16/283583116.db2.gz IUKDYBSKNZRENX-KXUCPTDWSA-N -1 0 310.372 -0.580 20 0 DBADRM Cn1c2ncn(CCSc3n[nH]c(=O)[n-]3)c2c(=O)n(C)c1=O ZINC000446082751 238306027 /nfs/dbraw/zinc/30/60/27/238306027.db2.gz YSYSPSQAJIZXIZ-UHFFFAOYSA-N -1 0 323.338 -0.950 20 0 DBADRM Cc1cnn(Cc2cc(C(=O)NCCc3nc(=O)o[n-]3)no2)c1 ZINC000447635720 238331039 /nfs/dbraw/zinc/33/10/39/238331039.db2.gz CNDNBNCDRARURG-UHFFFAOYSA-N -1 0 318.293 -0.123 20 0 DBADRM O=C(Cn1cnc(-c2ccccc2)n1)NCCc1nc(=O)o[n-]1 ZINC000447635908 238331236 /nfs/dbraw/zinc/33/12/36/238331236.db2.gz DTHCQINLCLLQBL-UHFFFAOYSA-N -1 0 314.305 -0.020 20 0 DBADRM O=C(Cn1cnc2ccccc2c1=O)NCCc1nc(=O)o[n-]1 ZINC000447633428 238331556 /nfs/dbraw/zinc/33/15/56/238331556.db2.gz ZGPSIZXXGKWYLV-UHFFFAOYSA-N -1 0 315.289 -0.568 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000450496418 238360951 /nfs/dbraw/zinc/36/09/51/238360951.db2.gz ASSJQZDNHDIFQI-UHFFFAOYSA-N -1 0 314.363 -0.009 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)NCCCC(=O)[O-])cc1 ZINC000532252405 283618927 /nfs/dbraw/zinc/61/89/27/283618927.db2.gz BRQYOFTZQSZXIM-UHFFFAOYSA-N -1 0 300.336 -0.143 20 0 DBADRM C[C@H](CNS(=O)(=O)[N-]CC(F)(F)F)CN1CCOCC1 ZINC000195278339 238417338 /nfs/dbraw/zinc/41/73/38/238417338.db2.gz NZBVKZRJBIJAEP-SECBINFHSA-N -1 0 319.349 -0.059 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N1CCC[C@@H](OCCO)C1 ZINC000195286913 238417914 /nfs/dbraw/zinc/41/79/14/238417914.db2.gz UCJIFDOBHPLVJW-MRVPVSSYSA-N -1 0 306.306 -0.144 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)[N-]CC(F)(F)F ZINC000195436573 238418410 /nfs/dbraw/zinc/41/84/10/238418410.db2.gz LXFKVKHXKJKSDF-LURJTMIESA-N -1 0 312.335 -0.204 20 0 DBADRM COc1ccccc1[C@H](CO)NC(=O)c1cnc([O-])n(C)c1=O ZINC000536466725 283659810 /nfs/dbraw/zinc/65/98/10/283659810.db2.gz CLQIDJVHNCCCOA-NSHDSACASA-N -1 0 319.317 -0.042 20 0 DBADRM Cn1cnn(-c2ccc(NC(=O)c3n[nH]c(=O)[n-]3)cc2)c1=O ZINC000538933980 283675227 /nfs/dbraw/zinc/67/52/27/283675227.db2.gz OTLSXKOENKXXPN-UHFFFAOYSA-N -1 0 301.266 -0.353 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)C(N)=O ZINC000541207670 283688227 /nfs/dbraw/zinc/68/82/27/283688227.db2.gz QWAYVVAKRGRLAI-PKFCDNJMSA-N -1 0 311.338 -0.920 20 0 DBADRM O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1n[nH]c(=O)[n-]1 ZINC000542455814 283696220 /nfs/dbraw/zinc/69/62/20/283696220.db2.gz IMYSGLWOYZSYSK-VIFPVBQESA-N -1 0 302.294 -0.169 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H](C)c1cnn(C)c1)[C@@H](C)C(=O)[O-] ZINC000543752373 283707814 /nfs/dbraw/zinc/70/78/14/283707814.db2.gz SYHYHOWTDCHGGY-ZJUUUORDSA-N -1 0 310.354 -0.039 20 0 DBADRM CN(C)C(=O)c1cc(S(=O)(=O)N2CC(C(=O)[O-])C2)cn1C ZINC000547571775 283745090 /nfs/dbraw/zinc/74/50/90/283745090.db2.gz FGONTLOSUYEIHD-UHFFFAOYSA-N -1 0 315.351 -0.568 20 0 DBADRM CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC000547585515 283746071 /nfs/dbraw/zinc/74/60/71/283746071.db2.gz QVZXBIZVUVUQKX-VIFPVBQESA-N -1 0 315.413 -0.207 20 0 DBADRM CC[C@H](C)CS(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-] ZINC000547549681 283742945 /nfs/dbraw/zinc/74/29/45/283742945.db2.gz DTQFNWKZIREEHO-WDEREUQCSA-N -1 0 308.400 -0.263 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000547547871 283743276 /nfs/dbraw/zinc/74/32/76/283743276.db2.gz DEGJIEJZHJCIQY-WCBMZHEXSA-N -1 0 305.356 -0.110 20 0 DBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000547607503 283747168 /nfs/dbraw/zinc/74/71/68/283747168.db2.gz ZKRHJFNOOWPRPI-VXAXSWHGSA-N -1 0 311.381 -0.987 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)CC1CCOCC1)C(=O)[O-] ZINC000547907446 283758341 /nfs/dbraw/zinc/75/83/41/283758341.db2.gz QCWNGFOXLLOFFU-QWRGUYRKSA-N -1 0 309.384 -0.053 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000547914476 283758496 /nfs/dbraw/zinc/75/84/96/283758496.db2.gz GFGPIIFGPDNCJB-QMMMGPOBSA-N -1 0 300.402 -0.395 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)C(=O)[O-] ZINC000547868875 283755132 /nfs/dbraw/zinc/75/51/32/283755132.db2.gz UGBGGLKWPFZWHZ-QMMMGPOBSA-N -1 0 317.367 -0.274 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCOC1)NS(=O)(=O)C[C@@H]1CCOC1 ZINC000547876721 283755647 /nfs/dbraw/zinc/75/56/47/283755647.db2.gz PLEFKZXDFIGQDL-AXFHLTTASA-N -1 0 307.368 -0.178 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)N1CCC[C@H]1C)C(=O)[O-] ZINC000547874950 283755789 /nfs/dbraw/zinc/75/57/89/283755789.db2.gz SCEYWIQAXYQKBO-BDAKNGLRSA-N -1 0 308.356 -0.289 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N(CCC(=O)[O-])C(C)C ZINC000547885973 283757094 /nfs/dbraw/zinc/75/70/94/283757094.db2.gz MHFOUMZLHSBHOX-UHFFFAOYSA-N -1 0 310.372 -0.089 20 0 DBADRM CC[C@@H](CNS(=O)(=O)CCCS(C)(=O)=O)CC(=O)[O-] ZINC000547938556 283760583 /nfs/dbraw/zinc/76/05/83/283760583.db2.gz BLWNQIBHWNHTPW-SECBINFHSA-N -1 0 315.413 -0.159 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)N(C)[C@@H](C)C1CC1)C(=O)[O-] ZINC000547931991 283760588 /nfs/dbraw/zinc/76/05/88/283760588.db2.gz RFHKXFLJGYVXJB-WCBMZHEXSA-N -1 0 322.383 -0.043 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000548250198 283772400 /nfs/dbraw/zinc/77/24/00/283772400.db2.gz WWCMWRBPCMVVKY-PSASIEDQSA-N -1 0 308.356 -0.479 20 0 DBADRM O=C([O-])C[C@@H](NS(=O)(=O)[C@@H]1CCOC1)C1CCOCC1 ZINC000548239733 283772421 /nfs/dbraw/zinc/77/24/21/283772421.db2.gz QZDROJKJDCOQQB-GHMZBOCLSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)c1cnc2n1CCC2)[C@@H]1CCOC1 ZINC000548201663 283769677 /nfs/dbraw/zinc/76/96/77/283769677.db2.gz WCUDQPTXFTWTMX-KCJUWKMLSA-N -1 0 315.351 -0.403 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])cn1C ZINC000548203234 283769843 /nfs/dbraw/zinc/76/98/43/283769843.db2.gz QQNRYBOQRHITRK-ZJUUUORDSA-N -1 0 317.367 -0.113 20 0 DBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000548207341 283770173 /nfs/dbraw/zinc/77/01/73/283770173.db2.gz IRTMZTRXAJKGHK-NSHDSACASA-N -1 0 301.320 -0.169 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-] ZINC000548221100 283770853 /nfs/dbraw/zinc/77/08/53/283770853.db2.gz PDTDNVMLXSHPEM-WCBMZHEXSA-N -1 0 319.339 -0.778 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000548223671 283771347 /nfs/dbraw/zinc/77/13/47/283771347.db2.gz PFKZMRAPWPYUSV-VHSXEESVSA-N -1 0 319.383 -0.762 20 0 DBADRM COCCOCCS(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1C ZINC000548222123 283771383 /nfs/dbraw/zinc/77/13/83/283771383.db2.gz JRCPPXPCGYFKLQ-IUCAKERBSA-N -1 0 313.397 -0.173 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000548237231 283771939 /nfs/dbraw/zinc/77/19/39/283771939.db2.gz JBJOXOZYBWUHSD-PWSUYJOCSA-N -1 0 313.331 -0.075 20 0 DBADRM CCCCN(C)S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000548256714 283773353 /nfs/dbraw/zinc/77/33/53/283773353.db2.gz GFYUANJUFISOIS-DYBLOJMWSA-N -1 0 312.413 -0.519 20 0 DBADRM C[C@@H](CCCC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O ZINC000548556514 283784908 /nfs/dbraw/zinc/78/49/08/283784908.db2.gz WVEHKHACIHFZEP-VIFPVBQESA-N -1 0 315.413 -0.016 20 0 DBADRM CC(C)(C)[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000548526561 283781765 /nfs/dbraw/zinc/78/17/65/283781765.db2.gz ORHPSMXHQRIFLL-QMMMGPOBSA-N -1 0 315.413 -0.160 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cccc(F)c1F ZINC000548527262 283781947 /nfs/dbraw/zinc/78/19/47/283781947.db2.gz VTLLQCJJSYHOLJ-UHFFFAOYSA-N -1 0 308.262 -0.556 20 0 DBADRM CCCCN(CCCC)S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000548526138 283782032 /nfs/dbraw/zinc/78/20/32/283782032.db2.gz XNARRCXLDBLVIL-UHFFFAOYSA-N -1 0 323.415 -0.076 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000548528469 283782371 /nfs/dbraw/zinc/78/23/71/283782371.db2.gz CUJORYZXJVKYQV-ZCFIWIBFSA-N -1 0 308.262 -0.428 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000548530129 283782437 /nfs/dbraw/zinc/78/24/37/283782437.db2.gz QWCCNJJGZGNWIN-WCBMZHEXSA-N -1 0 309.340 -0.651 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)CC1CCOCC1)[C@@H]1CCOC1 ZINC000548528522 283782592 /nfs/dbraw/zinc/78/25/92/283782592.db2.gz GFDVQVOOTNNTHA-GHMZBOCLSA-N -1 0 307.368 -0.178 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCOC1)NS(=O)(=O)N1CCOCC1 ZINC000548528025 283782604 /nfs/dbraw/zinc/78/26/04/283782604.db2.gz UFSSBUASOBEGKW-ZJUUUORDSA-N -1 0 308.356 -0.967 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000548533027 283783241 /nfs/dbraw/zinc/78/32/41/283783241.db2.gz XVCCBYFRBROEGH-PHDIDXHHSA-N -1 0 303.283 -0.177 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000548585908 283785931 /nfs/dbraw/zinc/78/59/31/283785931.db2.gz URFKXUUTMFZUBZ-YYSFKGJASA-N -1 0 310.397 -0.910 20 0 DBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)N1CCCCCC1 ZINC000548586894 283786593 /nfs/dbraw/zinc/78/65/93/283786593.db2.gz MSMXUNLSRAIALN-DGIBIBHMSA-N -1 0 324.424 -0.375 20 0 DBADRM CC1(C)CN(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)CCO1 ZINC000548592555 283786619 /nfs/dbraw/zinc/78/66/19/283786619.db2.gz ITJNEOQNHAVCNN-ZJUUUORDSA-N -1 0 304.368 -0.039 20 0 DBADRM CN(C)C(=O)c1cc(S(=O)(=O)NC2(C(=O)[O-])CC2)cn1C ZINC000548771379 283793247 /nfs/dbraw/zinc/79/32/47/283793247.db2.gz YPZPXQVMWNBVOY-UHFFFAOYSA-N -1 0 315.351 -0.378 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cn1 ZINC000548837314 283795222 /nfs/dbraw/zinc/79/52/22/283795222.db2.gz WEMIQIOYJBCWNL-NSHDSACASA-N -1 0 303.340 -0.014 20 0 DBADRM O=C(CN1CCOCC1=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000551931690 283908421 /nfs/dbraw/zinc/90/84/21/283908421.db2.gz CFMXJUUPVNDYHY-UHFFFAOYSA-N -1 0 309.326 -0.925 20 0 DBADRM O=C([O-])CCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000554070099 283930567 /nfs/dbraw/zinc/93/05/67/283930567.db2.gz JMJRPKYJKRDJOZ-UHFFFAOYSA-N -1 0 311.338 -0.856 20 0 DBADRM CCN(CC)C(=O)CN1CCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC000554267310 283931845 /nfs/dbraw/zinc/93/18/45/283931845.db2.gz JLAPOIGKXNUVQO-UHFFFAOYSA-N -1 0 311.382 -0.136 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cn1 ZINC000554537909 283934791 /nfs/dbraw/zinc/93/47/91/283934791.db2.gz JHLPQHOSRXNFPX-WPRPVWTQSA-N -1 0 303.340 -0.328 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)CC(C)(C)C(=O)OC ZINC000558474051 283973486 /nfs/dbraw/zinc/97/34/86/283973486.db2.gz HQWVIAHAQUTXDB-MRVPVSSYSA-N -1 0 311.356 -0.453 20 0 DBADRM COCc1nc(=NC(=O)[C@](C)(O)Cn2ccccc2=O)s[n-]1 ZINC000560045001 283987317 /nfs/dbraw/zinc/98/73/17/283987317.db2.gz FEBROMZAUARGDE-CYBMUJFWSA-N -1 0 324.362 -0.342 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(Cl)ccc1F ZINC000560013440 283987510 /nfs/dbraw/zinc/98/75/10/283987510.db2.gz QYRYPEBMSKCVCN-UHFFFAOYSA-N -1 0 324.717 -0.042 20 0 DBADRM Cn1nccc1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000559543217 283984658 /nfs/dbraw/zinc/98/46/58/283984658.db2.gz WJVZXKFZCVEFCA-BXKDBHETSA-N -1 0 315.351 -0.468 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000262103612 304135118 /nfs/dbraw/zinc/13/51/18/304135118.db2.gz JCCMQDFAGUFZCE-RYUDHWBXSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)NCCCO[C@H]1CCOC1 ZINC000561541958 284002881 /nfs/dbraw/zinc/00/28/81/284002881.db2.gz CKQPHENTMDGPME-WDEREUQCSA-N -1 0 302.327 -0.323 20 0 DBADRM Cn1[n-]nnc1=NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000562512255 284012094 /nfs/dbraw/zinc/01/20/94/284012094.db2.gz NFKYRKUEVSPBSZ-UHFFFAOYSA-N -1 0 318.309 -0.699 20 0 DBADRM Cn1nc(C(=O)NCCc2nc(=O)o[n-]2)cc1OC(F)F ZINC000562608788 284013487 /nfs/dbraw/zinc/01/34/87/284013487.db2.gz RJYWBAGUZCZKLI-UHFFFAOYSA-N -1 0 303.225 -0.330 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-] ZINC000562966516 284018032 /nfs/dbraw/zinc/01/80/32/284018032.db2.gz MRPOOFOWZQGNTJ-SSDOTTSWSA-N -1 0 317.323 -0.733 20 0 DBADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)NCCNS(C)(=O)=O ZINC000562973120 284018416 /nfs/dbraw/zinc/01/84/16/284018416.db2.gz OQINWQCMYXNJOM-VIFPVBQESA-N -1 0 309.388 -0.324 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000563128912 284024924 /nfs/dbraw/zinc/02/49/24/284024924.db2.gz XREHWJBKMQMILF-DTWKUNHWSA-N -1 0 308.356 -0.936 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1OC)C(=O)[O-] ZINC000563134031 284025498 /nfs/dbraw/zinc/02/54/98/284025498.db2.gz QSELVCUZWPNEJN-MRVPVSSYSA-N -1 0 323.305 -0.288 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)N1C(=O)CCC1=O ZINC000563190980 284028253 /nfs/dbraw/zinc/02/82/53/284028253.db2.gz AWMMULMEQQECCQ-RKDXNWHRSA-N -1 0 321.337 -0.246 20 0 DBADRM CC[C@@H](C)C[C@@H](NC(=O)CNC(=O)CNC(C)=O)C(=O)[O-] ZINC000563200547 284028750 /nfs/dbraw/zinc/02/87/50/284028750.db2.gz IKHLHFZFEKMDSC-PSASIEDQSA-N -1 0 301.343 -0.756 20 0 DBADRM CC[C@H](C)C[C@@H](NC(=O)CNC(=O)CNC(C)=O)C(=O)[O-] ZINC000563200569 284028798 /nfs/dbraw/zinc/02/87/98/284028798.db2.gz IKHLHFZFEKMDSC-WCBMZHEXSA-N -1 0 301.343 -0.756 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000563225100 284029274 /nfs/dbraw/zinc/02/92/74/284029274.db2.gz HGGOAZPQUJDFQD-XVKPBYJWSA-N -1 0 304.324 -0.407 20 0 DBADRM COCCN(CCOC)C(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000563430260 284038445 /nfs/dbraw/zinc/03/84/45/284038445.db2.gz DTQJSZKDWVDCQR-RYUDHWBXSA-N -1 0 318.370 -0.141 20 0 DBADRM CC[C@@H](NC(=O)COCC(=O)NCc1cccnc1)C(=O)[O-] ZINC000563526833 284042374 /nfs/dbraw/zinc/04/23/74/284042374.db2.gz XJKBGOPBOUWCPF-LLVKDONJSA-N -1 0 309.322 -0.306 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000563715750 284047585 /nfs/dbraw/zinc/04/75/85/284047585.db2.gz MAGSTFFLGAPXGX-APPZFPTMSA-N -1 0 308.381 -0.253 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCCn2ccnn2)C[C@@H]1C(=O)[O-] ZINC000563715449 284047656 /nfs/dbraw/zinc/04/76/56/284047656.db2.gz XQORCIJJCCGAOO-MNOVXSKESA-N -1 0 323.353 -0.646 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000563621237 284044904 /nfs/dbraw/zinc/04/49/04/284044904.db2.gz UQODEBZEJUZQHX-FOGDFJRCSA-N -1 0 324.399 -0.190 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000563960406 284053374 /nfs/dbraw/zinc/05/33/74/284053374.db2.gz PMYWYLMVIQRXCY-VIFPVBQESA-N -1 0 320.371 -0.432 20 0 DBADRM CCN(C1CCN(C(=O)[C@H](C)C(=O)[O-])CC1)S(C)(=O)=O ZINC000564209940 284056731 /nfs/dbraw/zinc/05/67/31/284056731.db2.gz NVHLXHGJZXHIGB-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000564509129 284061481 /nfs/dbraw/zinc/06/14/81/284061481.db2.gz MYBRUAWMYCNURT-NXEZZACHSA-N -1 0 317.367 -0.127 20 0 DBADRM C[C@H]1OCCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)[C@@H]1C(=O)[O-] ZINC000564626107 284063661 /nfs/dbraw/zinc/06/36/61/284063661.db2.gz COIAEYRQBOKGJZ-MMWGEVLESA-N -1 0 322.383 -0.486 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2COCCO2)cn1 ZINC000564656022 284064108 /nfs/dbraw/zinc/06/41/08/284064108.db2.gz XKGWLOQSNIIIDF-MRVPVSSYSA-N -1 0 302.308 -0.527 20 0 DBADRM Cc1ccncc1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000564661298 284064495 /nfs/dbraw/zinc/06/44/95/284064495.db2.gz QKVQTPKQPGZDQZ-UHFFFAOYSA-N -1 0 311.323 -0.342 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000564797817 284067258 /nfs/dbraw/zinc/06/72/58/284067258.db2.gz DFACOPSBONJTEZ-SECBINFHSA-N -1 0 310.310 -0.599 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000564923577 284071762 /nfs/dbraw/zinc/07/17/62/284071762.db2.gz QOIBVJMOKLRYSZ-MRVPVSSYSA-N -1 0 320.348 -0.755 20 0 DBADRM CN(Cc1cnn(C)c1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000564923825 284072012 /nfs/dbraw/zinc/07/20/12/284072012.db2.gz WCZYUGQDZVDDLE-JTQLQIEISA-N -1 0 302.356 -0.354 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000564925918 284072287 /nfs/dbraw/zinc/07/22/87/284072287.db2.gz WKARRFZUBNYIJI-NXEZZACHSA-N -1 0 321.399 -0.322 20 0 DBADRM O=C([O-])CN(C(=O)c1ccc2nnnn2c1)C1CCOCC1 ZINC000564979167 284075799 /nfs/dbraw/zinc/07/57/99/284075799.db2.gz RKSPALPVXLSRKG-UHFFFAOYSA-N -1 0 305.294 -0.170 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2ccnn2C)C[C@@H]1C(=O)[O-] ZINC000564987606 284076513 /nfs/dbraw/zinc/07/65/13/284076513.db2.gz ZNIGFIGKCIWUNJ-KOLCDFICSA-N -1 0 308.338 -0.395 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2cc(=O)n3ccccc3n2)O1 ZINC000565041974 284079154 /nfs/dbraw/zinc/07/91/54/284079154.db2.gz JMYHPYJMEUXFPF-WDEREUQCSA-N -1 0 317.301 -0.057 20 0 DBADRM Nc1c(-n2cccn2)ncnc1N1CCC(O)(C(=O)[O-])CC1 ZINC000565039525 284079220 /nfs/dbraw/zinc/07/92/20/284079220.db2.gz CBETUGWTJQJWAC-UHFFFAOYSA-N -1 0 304.310 -0.340 20 0 DBADRM C[C@@H](COC1CCCC1)CS(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000565053446 284079696 /nfs/dbraw/zinc/07/96/96/284079696.db2.gz BMGCRJYZDYQEQU-ONGXEEELSA-N -1 0 309.384 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)C[C@]12CCOC2 ZINC000565518218 284097139 /nfs/dbraw/zinc/09/71/39/284097139.db2.gz CUVZCMWTZSJCHR-MDZLAQPJSA-N -1 0 319.379 -0.082 20 0 DBADRM Cc1cc(C(=O)N2CC(C)(C(N)=O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000565661688 284101906 /nfs/dbraw/zinc/10/19/06/284101906.db2.gz TULLCTWULQIPGR-UHFFFAOYSA-N -1 0 317.305 -0.308 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)NC(C)(C)C(=O)[O-])CC1 ZINC000565734891 284103871 /nfs/dbraw/zinc/10/38/71/284103871.db2.gz ZOZPQLWXDUSSGX-UHFFFAOYSA-N -1 0 321.399 -0.037 20 0 DBADRM COC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)[O-] ZINC000565825369 284104828 /nfs/dbraw/zinc/10/48/28/284104828.db2.gz FWSSLKDKOAUGOZ-SECBINFHSA-N -1 0 323.367 -0.261 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000565963123 284108272 /nfs/dbraw/zinc/10/82/72/284108272.db2.gz QCULFAVBOGZWNW-SECBINFHSA-N -1 0 306.365 -0.119 20 0 DBADRM CCOC(=O)C12CC(C1)CN2C(=O)c1cnc([O-])n(C)c1=O ZINC000598447395 376209124 /nfs/dbraw/zinc/20/91/24/376209124.db2.gz QKZFSYIKBNWDNY-UHFFFAOYSA-N -1 0 307.306 -0.346 20 0 DBADRM Cc1c([C@H](NS(=O)(=O)C[C@@H]2CCCO2)C(=O)[O-])cnn1C ZINC000530488141 374277137 /nfs/dbraw/zinc/27/71/37/374277137.db2.gz HIIKLLHZLKAJGU-ONGXEEELSA-N -1 0 317.367 -0.047 20 0 DBADRM C[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)C(=O)N1CCOCC1 ZINC000317119688 374235360 /nfs/dbraw/zinc/23/53/60/374235360.db2.gz ZYDWOQSWCLRQCA-SECBINFHSA-N -1 0 307.306 -0.243 20 0 DBADRM CC(C)c1nc(=NC2CN(S(=O)(=O)N(C)C)C2)s[n-]1 ZINC000624708912 374305853 /nfs/dbraw/zinc/30/58/53/374305853.db2.gz QQLKJAKVLSQCRS-UHFFFAOYSA-N -1 0 305.429 -0.014 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000583993710 374345340 /nfs/dbraw/zinc/34/53/40/374345340.db2.gz UCDOSRAZNJHIPE-VHSXEESVSA-N -1 0 318.395 -0.163 20 0 DBADRM COCCOC1CN(S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000583992192 374342357 /nfs/dbraw/zinc/34/23/57/374342357.db2.gz UYUDTQBMKNVEHP-UHFFFAOYSA-N -1 0 322.364 -0.123 20 0 DBADRM C[C@@H](Sc1n[nH]c(=O)[n-]1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000331176030 296213995 /nfs/dbraw/zinc/21/39/95/296213995.db2.gz PRTBIKKEASIBNQ-RNFRBKRXSA-N -1 0 320.396 -0.364 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](CO)CCF)cn1 ZINC000628007760 374355704 /nfs/dbraw/zinc/35/57/04/374355704.db2.gz LTXNIYQGINYPAK-VIFPVBQESA-N -1 0 305.331 -0.097 20 0 DBADRM Cc1c([C@H](NS(=O)(=O)N2CCOCC2)C(=O)[O-])cnn1C ZINC000530542059 374391798 /nfs/dbraw/zinc/39/17/98/374391798.db2.gz OQGWBQFWZKQRJH-JTQLQIEISA-N -1 0 318.355 -0.979 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)c1 ZINC000530540759 374391826 /nfs/dbraw/zinc/39/18/26/374391826.db2.gz AAJINXUXYTXEMD-MRVPVSSYSA-N -1 0 321.307 -0.166 20 0 DBADRM CO[C@@H](CNS(=O)(=O)N1CCOC(C)(C)C1)CC(=O)[O-] ZINC000530541278 374392854 /nfs/dbraw/zinc/39/28/54/374392854.db2.gz QMGUESVXDUQAQK-SECBINFHSA-N -1 0 310.372 -0.579 20 0 DBADRM O=C([O-])CNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12 ZINC000022052079 182306131 /nfs/dbraw/zinc/30/61/31/182306131.db2.gz CCNCEKNYUXATHY-FYBVGQRMSA-N -1 0 301.368 -0.087 20 0 DBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCCCn2cccn2)C1 ZINC000134433240 374432986 /nfs/dbraw/zinc/43/29/86/374432986.db2.gz GOTMQMBSKJHYAP-NSHDSACASA-N -1 0 316.383 -0.096 20 0 DBADRM C[C@]1(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCCO1 ZINC000094796851 374426723 /nfs/dbraw/zinc/42/67/23/374426723.db2.gz STYJEXFSEKTITK-LLVKDONJSA-N -1 0 303.340 -0.185 20 0 DBADRM C[C@@H](CCC(=O)[O-])CNS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000123860735 374428247 /nfs/dbraw/zinc/42/82/47/374428247.db2.gz HHZDKVMPOKZPQS-QMMMGPOBSA-N -1 0 317.367 -0.097 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-])cn1C ZINC000133211817 374428925 /nfs/dbraw/zinc/42/89/25/374428925.db2.gz VNBPDAGUUGYPDV-YUMQZZPRSA-N -1 0 317.367 -0.228 20 0 DBADRM O=C([O-])CSCC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000157874039 374431713 /nfs/dbraw/zinc/43/17/13/374431713.db2.gz NWSCDOBETWEZTH-JTQLQIEISA-N -1 0 316.379 -0.346 20 0 DBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)cc1 ZINC000071173365 374480248 /nfs/dbraw/zinc/48/02/48/374480248.db2.gz XXSKECJPSBEPGD-UHFFFAOYSA-N -1 0 319.360 -0.205 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000071337488 374482213 /nfs/dbraw/zinc/48/22/13/374482213.db2.gz UULJTWMYWZUUBT-ZETCQYMHSA-N -1 0 305.312 -0.977 20 0 DBADRM COC(=O)COCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000588351897 374486606 /nfs/dbraw/zinc/48/66/06/374486606.db2.gz KQGAMRNEBUEFNG-UHFFFAOYSA-N -1 0 305.294 -0.328 20 0 DBADRM O=C([O-])CNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12 ZINC000034277730 374468668 /nfs/dbraw/zinc/46/86/68/374468668.db2.gz CCNCEKNYUXATHY-VHSKPIJISA-N -1 0 301.368 -0.087 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCn2cccn2)C[C@@H]1C(=O)[O-] ZINC000584053453 374474799 /nfs/dbraw/zinc/47/47/99/374474799.db2.gz LYXWTFOBNUNOAX-QWRGUYRKSA-N -1 0 308.338 -0.432 20 0 DBADRM C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000070311999 374478592 /nfs/dbraw/zinc/47/85/92/374478592.db2.gz RICQLORMISFYCD-SSDOTTSWSA-N -1 0 303.340 -0.344 20 0 DBADRM CCN1C[C@@H](NC(=O)N2CC[C@](COC)(C(=O)[O-])C2)CC1=O ZINC000391496094 374498195 /nfs/dbraw/zinc/49/81/95/374498195.db2.gz GTMHYRILDKXGJB-HZMBPMFUSA-N -1 0 313.354 -0.260 20 0 DBADRM COC(=O)c1c(C)csc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000588380034 374538079 /nfs/dbraw/zinc/53/80/79/374538079.db2.gz OQFFUKFKCFLQLP-UHFFFAOYSA-N -1 0 324.322 -0.389 20 0 DBADRM C[C@H](CCO)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000616564545 374541487 /nfs/dbraw/zinc/54/14/87/374541487.db2.gz GPMXOXMTAPGFAL-MRVPVSSYSA-N -1 0 302.352 -0.118 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@H](O)C2)c1 ZINC000616567804 374543627 /nfs/dbraw/zinc/54/36/27/374543627.db2.gz ZKQRTHRDHBJRSH-MRVPVSSYSA-N -1 0 300.336 -0.364 20 0 DBADRM C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1(CO)CC1 ZINC000617912439 374561011 /nfs/dbraw/zinc/56/10/11/374561011.db2.gz MXJPKGHCRDAPLK-MRVPVSSYSA-N -1 0 314.363 -0.070 20 0 DBADRM CCc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])s1 ZINC000048443471 374571659 /nfs/dbraw/zinc/57/16/59/374571659.db2.gz FVKKYCDVYWLTEP-SSDOTTSWSA-N -1 0 306.365 -0.083 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)C1 ZINC000569120256 374638286 /nfs/dbraw/zinc/63/82/86/374638286.db2.gz SJRSDKDEVAIZBH-KXUCPTDWSA-N -1 0 318.395 -0.117 20 0 DBADRM COc1cc(F)c(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1OC ZINC000090262640 374650968 /nfs/dbraw/zinc/65/09/68/374650968.db2.gz CFDLBNKSJGMGPI-SSDOTTSWSA-N -1 0 323.298 -0.433 20 0 DBADRM CCC(F)(F)C[N-]S(=O)(=O)CCNS(=O)(=O)CC ZINC000625454631 374651862 /nfs/dbraw/zinc/65/18/62/374651862.db2.gz BHRMBHUYOCAQET-UHFFFAOYSA-N -1 0 308.372 -0.110 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1cccc2nsnc21)C(=O)[O-] ZINC000090276837 374665739 /nfs/dbraw/zinc/66/57/39/374665739.db2.gz USPGQDZWBDHBJT-JTQLQIEISA-N -1 0 317.348 -0.195 20 0 DBADRM O=C(C1CC1)N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000569344147 374685078 /nfs/dbraw/zinc/68/50/78/374685078.db2.gz HTAOSTKCHYCUBF-UHFFFAOYSA-N -1 0 315.317 -0.063 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)N1CCSCC1 ZINC000126175628 374761825 /nfs/dbraw/zinc/76/18/25/374761825.db2.gz ZCSXEURFLAUVRH-VIFPVBQESA-N -1 0 322.408 -0.271 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)c1 ZINC000566114551 374737651 /nfs/dbraw/zinc/73/76/51/374737651.db2.gz BXWOHPPHDUMXII-WCBMZHEXSA-N -1 0 303.340 -0.422 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CSCC(=O)[O-] ZINC000128156896 374772542 /nfs/dbraw/zinc/77/25/42/374772542.db2.gz CQAVPVMGWNSLCW-VIFPVBQESA-N -1 0 324.424 -0.266 20 0 DBADRM CC(C)OCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000130837141 374775428 /nfs/dbraw/zinc/77/54/28/374775428.db2.gz SDHAWZUKGMBLPI-SNVBAGLBSA-N -1 0 305.356 -0.110 20 0 DBADRM CCS(=O)(=O)c1ccc(CC(=O)NCc2nnn[n-]2)cc1 ZINC000600493512 374781938 /nfs/dbraw/zinc/78/19/38/374781938.db2.gz BHSRUGSDUHGTPO-UHFFFAOYSA-N -1 0 309.351 -0.148 20 0 DBADRM Cn1c2ccccc2n(CCC(=O)NCc2nnn[n-]2)c1=O ZINC000600501524 374787988 /nfs/dbraw/zinc/78/79/88/374787988.db2.gz NOSDNHMFIICDMO-UHFFFAOYSA-N -1 0 301.310 -0.440 20 0 DBADRM Cc1ccccc1[C@@H](CC(=O)NCc1nnn[n-]1)NC(N)=O ZINC000600503534 374790586 /nfs/dbraw/zinc/79/05/86/374790586.db2.gz UQDADKSYAUWSCL-SNVBAGLBSA-N -1 0 303.326 -0.076 20 0 DBADRM CS(=O)(=O)NCCC(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000605532268 374884214 /nfs/dbraw/zinc/88/42/14/374884214.db2.gz ULDZGQWISQAEIN-UHFFFAOYSA-N -1 0 302.360 -0.976 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400229621 374892822 /nfs/dbraw/zinc/89/28/22/374892822.db2.gz LSBISPXYPMCAKU-AEJSXWLSSA-N -1 0 321.399 -0.181 20 0 DBADRM C=CCC[C@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400223225 374893454 /nfs/dbraw/zinc/89/34/54/374893454.db2.gz OJTDRSQKGRKQSN-UWVGGRQHSA-N -1 0 319.383 -0.261 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC000600657240 374836731 /nfs/dbraw/zinc/83/67/31/374836731.db2.gz GRNHSQSPGHNKKN-JOYOIKCWSA-N -1 0 323.367 -0.167 20 0 DBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2cnc(C)n2C)n1 ZINC000600648192 374838447 /nfs/dbraw/zinc/83/84/47/374838447.db2.gz TWWPOBGMNAMRBD-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)CSCC(=O)[O-])C1 ZINC000400135487 374841238 /nfs/dbraw/zinc/84/12/38/374841238.db2.gz SXNKVJDABNDAMW-QMMMGPOBSA-N -1 0 310.397 -0.656 20 0 DBADRM COC[C@@](C)(O)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000625928080 374935975 /nfs/dbraw/zinc/93/59/75/374935975.db2.gz FURUTXPYNRJPQQ-LBPRGKRZSA-N -1 0 317.367 -0.420 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)ncn1 ZINC000625955319 374947033 /nfs/dbraw/zinc/94/70/33/374947033.db2.gz XWXHTNDTYIWWPS-IUCAKERBSA-N -1 0 322.321 -0.007 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N2CCCC[C@H]2C(=O)[O-])C1 ZINC000400305622 374909377 /nfs/dbraw/zinc/90/93/77/374909377.db2.gz RJGZUEHRRMEMTQ-UWVGGRQHSA-N -1 0 319.383 -0.331 20 0 DBADRM NC(=O)C1CCN(C(=O)C2CCN(C(=O)C(=O)[O-])CC2)CC1 ZINC000368146755 375027840 /nfs/dbraw/zinc/02/78/40/375027840.db2.gz GSWUBEMBZSIUKI-UHFFFAOYSA-N -1 0 311.338 -0.967 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)C[C@]2(C(=O)[O-])CCOC2)C1 ZINC000634893184 375070009 /nfs/dbraw/zinc/07/00/09/375070009.db2.gz IFICIZLPMDZKCT-CQSZACIVSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@H](O[C@@H](C)C(=O)N1CC(OCC(=O)N(C)C)C1)C(=O)[O-] ZINC000634893150 375070263 /nfs/dbraw/zinc/07/02/63/375070263.db2.gz GRHWKSJJVBKYPG-IUCAKERBSA-N -1 0 302.327 -0.820 20 0 DBADRM C[C@@H](NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)C(=O)[O-] ZINC000262725786 375110529 /nfs/dbraw/zinc/11/05/29/375110529.db2.gz ZELADWMONZZVLJ-MRVPVSSYSA-N -1 0 305.290 -0.059 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CCN1S(C)(=O)=O ZINC000634929944 375078123 /nfs/dbraw/zinc/07/81/23/375078123.db2.gz VPKDHFCLBVDFGW-BBBLOLIVSA-N -1 0 318.395 -0.165 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(c2nccnn2)CC1 ZINC000634937666 375078192 /nfs/dbraw/zinc/07/81/92/375078192.db2.gz PVIQZRIVELISLY-ZJUUUORDSA-N -1 0 305.338 -0.123 20 0 DBADRM CCC(CC)[C@H](CNC(=O)c1n[nH]c(=O)[n-]1)N1CCOCC1 ZINC000079622050 375059048 /nfs/dbraw/zinc/05/90/48/375059048.db2.gz ARKGRCIDQXOHKU-NSHDSACASA-N -1 0 311.386 -0.035 20 0 DBADRM CC1(C)[C@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)[C@@H]1C(=O)[O-] ZINC000634856854 375061648 /nfs/dbraw/zinc/06/16/48/375061648.db2.gz BZSGELFTWPWBMX-VHSXEESVSA-N -1 0 318.395 -0.163 20 0 DBADRM CC(C)C(=O)N1CCCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC000635521957 375137165 /nfs/dbraw/zinc/13/71/65/375137165.db2.gz JZAKMHJUTPHGPE-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM CCN1CC[C@H](NC(=O)N2CC[C@@](COC)(C(=O)[O-])C2)C1=O ZINC000635514938 375137460 /nfs/dbraw/zinc/13/74/60/375137460.db2.gz QKHIRLBDJAVDQU-IINYFYTJSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000635522866 375137774 /nfs/dbraw/zinc/13/77/74/375137774.db2.gz DUWKIRVJZYFXNV-WDEREUQCSA-N -1 0 302.327 -0.323 20 0 DBADRM C[C@H]1CN(C(=O)NCCOCC(=O)[O-])C[C@@]2(CCOC2)O1 ZINC000635525051 375139512 /nfs/dbraw/zinc/13/95/12/375139512.db2.gz UNACEQSAIODORR-GXFFZTMASA-N -1 0 302.327 -0.323 20 0 DBADRM C[C@H]1C[C@H](C)N(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000088685561 375165860 /nfs/dbraw/zinc/16/58/60/375165860.db2.gz PNSHSGNMUUQZDC-UWVGGRQHSA-N -1 0 300.384 -0.045 20 0 DBADRM COCC[C@H](NC(=O)Cn1nc2ccccn2c1=O)C(=O)[O-] ZINC000261856491 375118324 /nfs/dbraw/zinc/11/83/24/375118324.db2.gz FHZRDKRHNOCVLV-VIFPVBQESA-N -1 0 308.294 -0.898 20 0 DBADRM CC[C@@H](NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400101649 375120224 /nfs/dbraw/zinc/12/02/24/375120224.db2.gz BANVOWDORHHZSK-RKDXNWHRSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@]1(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)CCC(=O)NC1 ZINC000408478808 375124316 /nfs/dbraw/zinc/12/43/16/375124316.db2.gz KMKMHRYTYBJUBP-SKDRFNHKSA-N -1 0 304.368 -0.472 20 0 DBADRM CCNC(=O)CN(CC)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000141602440 375189428 /nfs/dbraw/zinc/18/94/28/375189428.db2.gz SBFUMZZPJDNMHF-UHFFFAOYSA-N -1 0 319.321 -0.790 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC2(C(=O)[O-])CC2)C1 ZINC000201932189 375195443 /nfs/dbraw/zinc/19/54/43/375195443.db2.gz ZVGZXRXFVVHOFD-VIFPVBQESA-N -1 0 320.367 -0.287 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cncc(F)c1)C(=O)[O-] ZINC000214182809 375196542 /nfs/dbraw/zinc/19/65/42/375196542.db2.gz XACSTFUXXCWMIT-MRVPVSSYSA-N -1 0 306.271 -0.485 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@H](C)C(=O)[O-])ccc1OC ZINC000262823795 375202090 /nfs/dbraw/zinc/20/20/90/375202090.db2.gz RJSYBKUOEFNFIA-SSDOTTSWSA-N -1 0 316.335 -0.194 20 0 DBADRM C[C@@H](NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC000262823414 375202184 /nfs/dbraw/zinc/20/21/84/375202184.db2.gz WGRLEVMOKQVQOC-NXSYQRQQSA-N -1 0 305.290 -0.056 20 0 DBADRM O=C([O-])CSCC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000157873896 375206092 /nfs/dbraw/zinc/20/60/92/375206092.db2.gz NWSCDOBETWEZTH-SNVBAGLBSA-N -1 0 316.379 -0.346 20 0 DBADRM C[C@H](NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)C(N)=O ZINC000144631973 375229990 /nfs/dbraw/zinc/22/99/90/375229990.db2.gz YWMIEJDMQCKQQU-LURJTMIESA-N -1 0 303.315 -0.199 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC[C@@H](N2CCOCC2)C1 ZINC000635975822 375292064 /nfs/dbraw/zinc/29/20/64/375292064.db2.gz OZBPKSMPSNDCHL-GFCCVEGCSA-N -1 0 308.386 -0.154 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2cccc(CC(=O)OC)n2)c1[O-] ZINC000586871497 375301349 /nfs/dbraw/zinc/30/13/49/375301349.db2.gz ASSQFIIPAMGNMQ-NSHDSACASA-N -1 0 321.289 -0.215 20 0 DBADRM N#Cc1ncccc1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000236419301 375320843 /nfs/dbraw/zinc/32/08/43/375320843.db2.gz VMIYFGGIUCBYBB-UHFFFAOYSA-N -1 0 311.319 -0.135 20 0 DBADRM C[C@H]1CN(C(=O)NCCNS(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC000312328883 375323449 /nfs/dbraw/zinc/32/34/49/375323449.db2.gz IRICSZOJKGBUPA-DTWKUNHWSA-N -1 0 307.372 -0.712 20 0 DBADRM CC(C)(C)c1cc(CS(=O)(=O)NC[C@H](O)C(=O)[O-])no1 ZINC000572726767 375259378 /nfs/dbraw/zinc/25/93/78/375259378.db2.gz FGSDVMIHVRDYBD-QMMMGPOBSA-N -1 0 306.340 -0.163 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)c1 ZINC000586660643 375261002 /nfs/dbraw/zinc/26/10/02/375261002.db2.gz IMZQVQMOZOFNJT-UHFFFAOYSA-N -1 0 314.279 -0.311 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000570284105 375348042 /nfs/dbraw/zinc/34/80/42/375348042.db2.gz BBEZKXYAVQYDDW-UTLUCORTSA-N -1 0 306.384 -0.022 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000570284104 375348717 /nfs/dbraw/zinc/34/87/17/375348717.db2.gz BBEZKXYAVQYDDW-OPRDCNLKSA-N -1 0 306.384 -0.022 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](CO)O2)c1 ZINC000572643423 375354863 /nfs/dbraw/zinc/35/48/63/375354863.db2.gz VOUODLWRGVRFLX-NEPJUHHUSA-N -1 0 322.317 -0.021 20 0 DBADRM CC[C@@H](NC(=O)NCCCN(CC)S(C)(=O)=O)C(=O)[O-] ZINC000570423753 375361755 /nfs/dbraw/zinc/36/17/55/375361755.db2.gz KIOWWRUIPUDANX-SECBINFHSA-N -1 0 309.388 -0.180 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000580074108 375428994 /nfs/dbraw/zinc/42/89/94/375428994.db2.gz DVPHJSXBXGGBPA-QMMMGPOBSA-N -1 0 308.356 -0.984 20 0 DBADRM CC(C)Cc1nc(=NC(=O)CNS(=O)(=O)N(C)C)s[n-]1 ZINC000618348913 375438163 /nfs/dbraw/zinc/43/81/63/375438163.db2.gz BYHRNZZPHLJTOR-UHFFFAOYSA-N -1 0 321.428 -0.507 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000261912733 304190574 /nfs/dbraw/zinc/19/05/74/304190574.db2.gz WPUNAIZRALDITH-VIFPVBQESA-N -1 0 309.322 -0.216 20 0 DBADRM CN(CC(=O)NC(C)(C)C(=O)[O-])S(=O)(=O)c1cccnc1 ZINC000262768127 375471836 /nfs/dbraw/zinc/47/18/36/375471836.db2.gz LXIPNMFAQJAGNV-UHFFFAOYSA-N -1 0 315.351 -0.319 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000580196522 375448019 /nfs/dbraw/zinc/44/80/19/375448019.db2.gz PTAAMFBKLXIWHI-ZJUUUORDSA-N -1 0 314.338 -0.375 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N(CCO)CCC(=O)[O-] ZINC000588316601 375449346 /nfs/dbraw/zinc/44/93/46/375449346.db2.gz JUHUFTMAVLBGDK-UHFFFAOYSA-N -1 0 311.356 -0.716 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000590410691 375536281 /nfs/dbraw/zinc/53/62/81/375536281.db2.gz XXUTUEKBVHYHGT-NSHDSACASA-N -1 0 300.336 -0.132 20 0 DBADRM CN(C(=O)[C@@H]1CCC[C@H]1C(=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000314296052 375495201 /nfs/dbraw/zinc/49/52/01/375495201.db2.gz FTCZPCKBWHLWCQ-GMTAPVOTSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000176728964 375501655 /nfs/dbraw/zinc/50/16/55/375501655.db2.gz VTQCBTQHNJGOKW-ZETCQYMHSA-N -1 0 310.335 -0.216 20 0 DBADRM CC(C)(C)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000176678212 375501878 /nfs/dbraw/zinc/50/18/78/375501878.db2.gz ZPEFKBMGNJJUAX-UHFFFAOYSA-N -1 0 312.351 -0.064 20 0 DBADRM CC(C)(CCO)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000178597213 375510392 /nfs/dbraw/zinc/51/03/92/375510392.db2.gz WKRZUPGQJOAIQH-UHFFFAOYSA-N -1 0 306.322 -0.250 20 0 DBADRM O=C(N[C@@H]1CCC[C@@H]1CCO)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000187885013 375588371 /nfs/dbraw/zinc/58/83/71/375588371.db2.gz LRIQFOYPSKCRAZ-LDYMZIIASA-N -1 0 318.333 -0.108 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CCC[C@H](C)[C@@H]2C(=O)[O-])CC1 ZINC000318790589 375561168 /nfs/dbraw/zinc/56/11/68/375561168.db2.gz QFOVXMHYPHZRBI-SMDDNHRTSA-N -1 0 311.382 -0.138 20 0 DBADRM C[C@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C(=O)[O-] ZINC000318833494 375566669 /nfs/dbraw/zinc/56/66/69/375566669.db2.gz XZDOCYHLKVAKHQ-JOYOIKCWSA-N -1 0 309.322 -0.741 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000020001977 375630061 /nfs/dbraw/zinc/63/00/61/375630061.db2.gz JVLGKCYJQQBIKY-BDAKNGLRSA-N -1 0 303.340 -0.111 20 0 DBADRM O=S(=O)(C[C@H](O)CO)c1n[nH]c(Cc2cccs2)n1 ZINC000195162252 375648229 /nfs/dbraw/zinc/64/82/29/375648229.db2.gz FVLJZAWCDRKDCS-SSDOTTSWSA-N -1 0 303.365 -0.416 20 0 DBADRM CCCC[C@@H](COC)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643164226 375651321 /nfs/dbraw/zinc/65/13/21/375651321.db2.gz BBUDQINUOKBKFZ-QWRGUYRKSA-N -1 0 316.354 -0.380 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC(C2CC2)C2CC2)CCO1 ZINC000643165723 375655354 /nfs/dbraw/zinc/65/53/54/375655354.db2.gz ULPAZKBGZQODPM-LBPRGKRZSA-N -1 0 310.350 -0.149 20 0 DBADRM CN1CCCc2ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc21 ZINC000364431701 375640272 /nfs/dbraw/zinc/64/02/72/375640272.db2.gz WMIZIRGVHIBRHW-NSHDSACASA-N -1 0 314.363 -0.207 20 0 DBADRM O=C(CN1CCC[C@@H](c2n[n-]c(=O)o2)C1)NC(=O)NC1CC1 ZINC000590736736 375673892 /nfs/dbraw/zinc/67/38/92/375673892.db2.gz YZDARQNTVONCOD-MRVPVSSYSA-N -1 0 309.326 -0.057 20 0 DBADRM O=C(Nc1ccc(N2CCNC(=O)C2)nc1)c1n[nH]c(=O)[n-]1 ZINC000617014035 375699181 /nfs/dbraw/zinc/69/91/81/375699181.db2.gz ATYWFVRFFHJISH-UHFFFAOYSA-N -1 0 303.282 -0.906 20 0 DBADRM CC(C)CSCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591457886 375716128 /nfs/dbraw/zinc/71/61/28/375716128.db2.gz GPDQZNKJIDDUES-SNVBAGLBSA-N -1 0 318.395 -0.196 20 0 DBADRM CC(C)CSCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591457883 375716752 /nfs/dbraw/zinc/71/67/52/375716752.db2.gz GPDQZNKJIDDUES-JTQLQIEISA-N -1 0 318.395 -0.196 20 0 DBADRM CSCCCCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591459279 375716815 /nfs/dbraw/zinc/71/68/15/375716815.db2.gz WLKRTLCPBHPZCD-SNVBAGLBSA-N -1 0 318.395 -0.052 20 0 DBADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000592138305 375781437 /nfs/dbraw/zinc/78/14/37/375781437.db2.gz XQNIGAGLYFGERJ-CXNNERTKSA-N -1 0 312.413 -0.521 20 0 DBADRM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cnc([O-])n(C)c1=O ZINC000276212259 291628149 /nfs/dbraw/zinc/62/81/49/291628149.db2.gz HTOYXXUNYZQTLE-KKZNHRDASA-N -1 0 321.333 -0.100 20 0 DBADRM COC(=O)Cc1nc([N-]S(=O)(=O)C[C@@H](OC)C(C)C)n[nH]1 ZINC000592384378 375796774 /nfs/dbraw/zinc/79/67/74/375796774.db2.gz YAXXVQQMQGKMAV-MRVPVSSYSA-N -1 0 320.371 -0.067 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1)C(=O)[O-] ZINC000592425276 375800103 /nfs/dbraw/zinc/80/01/03/375800103.db2.gz ZZZRVNCXPVUGCC-QMMMGPOBSA-N -1 0 311.294 -0.270 20 0 DBADRM C[S@@](=O)C1(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000592439982 375804245 /nfs/dbraw/zinc/80/42/45/375804245.db2.gz DGYBSLBTKKHVKD-URNOHEEXSA-N -1 0 316.379 -0.617 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000592440297 375804370 /nfs/dbraw/zinc/80/43/70/375804370.db2.gz LYQGLDUWIMEXQB-DTWKUNHWSA-N -1 0 300.311 -0.575 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NC[C@@H](C)C(=O)[O-])cn1C ZINC000054334092 375789881 /nfs/dbraw/zinc/78/98/81/375789881.db2.gz OEZVLEPMMWSOCZ-SSDOTTSWSA-N -1 0 303.340 -0.616 20 0 DBADRM CCOC(=O)CCCCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000592990091 375841144 /nfs/dbraw/zinc/84/11/44/375841144.db2.gz MMQNHFUSZIKBKH-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(C)(C)C(=O)[O-] ZINC000592993257 375841559 /nfs/dbraw/zinc/84/15/59/375841559.db2.gz KHSBEFCWJIDNAP-VIFPVBQESA-N -1 0 316.354 -0.083 20 0 DBADRM C[C@@H](CSCCNS(=O)(=O)c1cnnn1C)C(=O)[O-] ZINC000593275310 375854011 /nfs/dbraw/zinc/85/40/11/375854011.db2.gz XBTZXZQDSAYGCI-ZETCQYMHSA-N -1 0 308.385 -0.453 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H](C2CC2)C2CCC2)CCO1 ZINC000643173310 375821898 /nfs/dbraw/zinc/82/18/98/375821898.db2.gz CCKACHHKTOUSPM-NEPJUHHUSA-N -1 0 310.350 -0.007 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](CO)CCF ZINC000593655863 375878223 /nfs/dbraw/zinc/87/82/23/375878223.db2.gz DOIBKFQBOLCZSP-ZCFIWIBFSA-N -1 0 312.344 -0.072 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NCCC(=O)[O-])C[C@H]1C1CC1 ZINC000593773395 375887946 /nfs/dbraw/zinc/88/79/46/375887946.db2.gz FDPMNWYWSAXTSI-VHSXEESVSA-N -1 0 312.322 -0.765 20 0 DBADRM CCN(CC)C(=O)[C@H]1CCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000263308588 284549670 /nfs/dbraw/zinc/54/96/70/284549670.db2.gz FWPUFLMTFKPBLQ-LLVKDONJSA-N -1 0 323.353 -0.164 20 0 DBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000593919882 375896944 /nfs/dbraw/zinc/89/69/44/375896944.db2.gz CPXJKSJCDDSMBY-GHMZBOCLSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCCC[C@@H]2CC(=O)[O-])nn1 ZINC000593922932 375897845 /nfs/dbraw/zinc/89/78/45/375897845.db2.gz UKEMWQGVRWEBKD-SECBINFHSA-N -1 0 310.310 -0.080 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1s[n-]c(=O)c1Cl ZINC000594350313 375921528 /nfs/dbraw/zinc/92/15/28/375921528.db2.gz LPVRLVWXGKGYOB-UHFFFAOYSA-N -1 0 307.715 -0.479 20 0 DBADRM CCOC(=O)CCS(=O)(=O)NCc1nocc1C(=O)[O-] ZINC000594571838 375935554 /nfs/dbraw/zinc/93/55/54/375935554.db2.gz ASIQOQSVZXLGJP-UHFFFAOYSA-N -1 0 306.296 -0.255 20 0 DBADRM CC(C)OC(=O)CCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000594529846 375935675 /nfs/dbraw/zinc/93/56/75/375935675.db2.gz MOQUBBUCVUTGDM-VIFPVBQESA-N -1 0 302.327 -0.329 20 0 DBADRM CCOC(=O)CC[C@@H](C)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000594529122 375936087 /nfs/dbraw/zinc/93/60/87/375936087.db2.gz GBLMYDVATFLVCT-RKDXNWHRSA-N -1 0 302.327 -0.329 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@H](C)C(=O)[O-] ZINC000594529947 375936435 /nfs/dbraw/zinc/93/64/35/375936435.db2.gz VNMHMUAVGIAJLW-YIZRAAEISA-N -1 0 317.342 -0.537 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])cn1 ZINC000594573250 375938247 /nfs/dbraw/zinc/93/82/47/375938247.db2.gz MAUSENVYUNSKEP-MRVPVSSYSA-N -1 0 320.298 -0.041 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000594679864 375939815 /nfs/dbraw/zinc/93/98/15/375939815.db2.gz JJYKSUKLTNDUGI-MRVPVSSYSA-N -1 0 314.319 -0.037 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC000594679865 375940169 /nfs/dbraw/zinc/94/01/69/375940169.db2.gz JJYKSUKLTNDUGI-QMMMGPOBSA-N -1 0 314.319 -0.037 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])CC1 ZINC000594684966 375941886 /nfs/dbraw/zinc/94/18/86/375941886.db2.gz RKZPGJGPFCHFAX-SECBINFHSA-N -1 0 321.351 -0.413 20 0 DBADRM CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1ccccc1[O-] ZINC000594767050 375946984 /nfs/dbraw/zinc/94/69/84/375946984.db2.gz BDTRYBKOIIOKFQ-GFCCVEGCSA-N -1 0 303.336 -0.015 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H](OC)C1CCCC1 ZINC000594768949 375948540 /nfs/dbraw/zinc/94/85/40/375948540.db2.gz YXUHWIZCHKGXEE-WDEREUQCSA-N -1 0 309.384 -0.355 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NCCCC(=O)[O-])C[C@@H]1C ZINC000595276958 375990856 /nfs/dbraw/zinc/99/08/56/375990856.db2.gz ZERVDWCXZYLFRN-VHSXEESVSA-N -1 0 314.338 -0.375 20 0 DBADRM COC(=O)C[C@H](CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1CC1 ZINC000595276972 375991297 /nfs/dbraw/zinc/99/12/97/375991297.db2.gz ZRPNNOCOHLQUMC-PSASIEDQSA-N -1 0 314.338 -0.471 20 0 DBADRM Cc1cc(C)n2[n-]c(=NC(=O)N=c3ccn(CCO)[nH]3)nc2n1 ZINC000531391049 376090344 /nfs/dbraw/zinc/09/03/44/376090344.db2.gz OSMYDBCEWKKQRG-UHFFFAOYSA-N -1 0 316.325 -0.582 20 0 DBADRM CCOC(=O)Cn1cnc(=NC(=O)N=c2ccn(CC)[nH]2)[n-]1 ZINC000596933666 376103643 /nfs/dbraw/zinc/10/36/43/376103643.db2.gz MKQBAIZQIIYMGC-UHFFFAOYSA-N -1 0 307.314 -0.455 20 0 DBADRM CCOC(=O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000596943215 376105418 /nfs/dbraw/zinc/10/54/18/376105418.db2.gz GDYCNBOJUJHFGJ-UHFFFAOYSA-N -1 0 316.335 -0.277 20 0 DBADRM COC(=O)c1cn(CCNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)nn1 ZINC000596000532 376059162 /nfs/dbraw/zinc/05/91/62/376059162.db2.gz ZBKWDKWLUXSPPK-CYBMUJFWSA-N -1 0 310.310 -0.318 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C)c(C(=O)OC)o1)C(=O)[O-] ZINC000596035941 376065848 /nfs/dbraw/zinc/06/58/48/376065848.db2.gz TWVZDTZOVJNEBX-ZETCQYMHSA-N -1 0 321.307 -0.247 20 0 DBADRM CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(C(=O)c1n[nH]c(=O)[n-]1)C2 ZINC000598768981 376224129 /nfs/dbraw/zinc/22/41/29/376224129.db2.gz BBUBDVBWZNXMEW-XLKFXECMSA-N -1 0 324.337 -0.059 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)cc1C(N)=O ZINC000054505177 376227561 /nfs/dbraw/zinc/22/75/61/376227561.db2.gz ZYQGHRJUPGUIOD-SECBINFHSA-N -1 0 301.324 -0.735 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@](C)(C(N)=O)C(C)C)on1 ZINC000599317618 376281091 /nfs/dbraw/zinc/28/10/91/376281091.db2.gz SPDSVWFVYOCKFP-NSHDSACASA-N -1 0 319.339 -0.361 20 0 DBADRM CCOC(=O)C[N-]S(=O)(=O)Cc1cc(C(=O)OCC)no1 ZINC000599230928 376262213 /nfs/dbraw/zinc/26/22/13/376262213.db2.gz GEUMKNRWRCHJIR-UHFFFAOYSA-N -1 0 320.323 -0.166 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)OC)C2CC2)on1 ZINC000599248187 376264662 /nfs/dbraw/zinc/26/46/62/376264662.db2.gz XPLKIRLHTORDHE-VIFPVBQESA-N -1 0 318.307 -0.309 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)[C@@H](CO)SC)on1 ZINC000599267169 376266172 /nfs/dbraw/zinc/26/61/72/376266172.db2.gz SIJWRRAVFZOHEW-HTRCEHHLSA-N -1 0 324.380 -0.148 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C[S@@](C)=O)on1 ZINC000599274804 376267972 /nfs/dbraw/zinc/26/79/72/376267972.db2.gz DMELJCIDFOALMY-AHGSNSTDSA-N -1 0 310.353 -0.494 20 0 DBADRM COC(=O)[C@H](C)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599267254 376269298 /nfs/dbraw/zinc/26/92/98/376269298.db2.gz VBTVLXXRBQXBHX-MRVPVSSYSA-N -1 0 315.351 -0.008 20 0 DBADRM CNS(=O)(=O)c1ccc(CCC(=O)NCc2nnn[n-]2)cc1 ZINC000599333966 376282607 /nfs/dbraw/zinc/28/26/07/376282607.db2.gz BISJJJXGVNFIRS-UHFFFAOYSA-N -1 0 324.366 -0.643 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2ncn(C)n2)on1 ZINC000599288395 376275804 /nfs/dbraw/zinc/27/58/04/376275804.db2.gz SRIXJJGXJFRQOR-ZCFIWIBFSA-N -1 0 315.311 -0.371 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2ncnn2C)on1 ZINC000599289419 376276052 /nfs/dbraw/zinc/27/60/52/376276052.db2.gz TXILEPFIFNGKML-LURJTMIESA-N -1 0 315.311 -0.371 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000599334725 376282945 /nfs/dbraw/zinc/28/29/45/376282945.db2.gz QTPNYDIJFKLPQX-UHFFFAOYSA-N -1 0 322.350 -0.330 20 0 DBADRM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1nnn[n-]1)C2=O ZINC000599344363 376278950 /nfs/dbraw/zinc/27/89/50/376278950.db2.gz AGOMJCXMDJHQET-OQPBUACISA-N -1 0 321.341 -0.683 20 0 DBADRM COC(=O)c1cnn(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1 ZINC000599723357 376330019 /nfs/dbraw/zinc/33/00/19/376330019.db2.gz WGBLFGDNGVMYTG-SECBINFHSA-N -1 0 319.325 -0.411 20 0 DBADRM C[C@@H](C(=O)NCc1nnn[n-]1)N1C(=O)NC2(CCCC2)C1=O ZINC000599377214 376285347 /nfs/dbraw/zinc/28/53/47/376285347.db2.gz ORLDXSJGXGOZAG-ZETCQYMHSA-N -1 0 307.314 -0.931 20 0 DBADRM CCNS(=O)(=O)c1cccc(C(=O)NCc2nnn[n-]2)c1 ZINC000599376635 376285706 /nfs/dbraw/zinc/28/57/06/376285706.db2.gz DYOOHTMTCRBIDC-UHFFFAOYSA-N -1 0 310.339 -0.572 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CCCO1 ZINC000061918203 376402847 /nfs/dbraw/zinc/40/28/47/376402847.db2.gz UTEFLBMXDDWZLM-VIFPVBQESA-N -1 0 303.340 -0.233 20 0 DBADRM C[C@@H](S[C@H](C)C(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000601998485 376402934 /nfs/dbraw/zinc/40/29/34/376402934.db2.gz NANQSTQDXZOPSA-RKDXNWHRSA-N -1 0 324.424 -0.315 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)C(=O)OC ZINC000603164617 376523492 /nfs/dbraw/zinc/52/34/92/376523492.db2.gz WZBCASSEVZVVDQ-VIFPVBQESA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000603011790 376511498 /nfs/dbraw/zinc/51/14/98/376511498.db2.gz QUUUMYXNUZTALC-SNVBAGLBSA-N -1 0 321.289 -0.717 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-][C@H](CC(F)F)C(=O)OC)OC ZINC000603299222 376543762 /nfs/dbraw/zinc/54/37/62/376543762.db2.gz HYCNRJAKMFQKKP-JGVFFNPUSA-N -1 0 319.326 -0.236 20 0 DBADRM COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)C[C@]1(C)CC1(F)F ZINC000603355792 376545254 /nfs/dbraw/zinc/54/52/54/376545254.db2.gz AYFUYLSMEYLDTE-DTWKUNHWSA-N -1 0 301.311 -0.125 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)[O-] ZINC000071337464 376610772 /nfs/dbraw/zinc/61/07/72/376610772.db2.gz MLODOFVMKPDVJG-IUCAKERBSA-N -1 0 308.356 -0.431 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000314699893 376647476 /nfs/dbraw/zinc/64/74/76/376647476.db2.gz LCZJUCZASGSTCA-LBPRGKRZSA-N -1 0 323.367 -0.308 20 0 DBADRM CCN(CC)c1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cn1 ZINC000606116294 376727263 /nfs/dbraw/zinc/72/72/63/376727263.db2.gz VHXMYTYLVSXHPV-UHFFFAOYSA-N -1 0 318.341 -0.304 20 0 DBADRM COc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)c(OC)c1 ZINC000606114974 376727312 /nfs/dbraw/zinc/72/73/12/376727312.db2.gz IBFBIQGBZSKHPI-UHFFFAOYSA-N -1 0 306.282 -0.528 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000606117593 376728078 /nfs/dbraw/zinc/72/80/78/376728078.db2.gz QIUQKWYDVVLYDW-UHFFFAOYSA-N -1 0 312.293 -0.360 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000606117736 376728123 /nfs/dbraw/zinc/72/81/23/376728123.db2.gz SZIIKXVIHADENH-UHFFFAOYSA-N -1 0 302.294 -0.220 20 0 DBADRM COCCN(CCOC)C(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000317095540 376701483 /nfs/dbraw/zinc/70/14/83/376701483.db2.gz BLZQUCSBDUVMKN-LLVKDONJSA-N -1 0 314.342 -0.150 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)CCOCC1 ZINC000317130266 376703236 /nfs/dbraw/zinc/70/32/36/376703236.db2.gz IPRFTIBTJNWLBO-JTQLQIEISA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCO1 ZINC000261993782 376764740 /nfs/dbraw/zinc/76/47/40/376764740.db2.gz UCMSWSWBAMJZTL-VXGBXAGGSA-N -1 0 310.350 -0.053 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000038020068 376734459 /nfs/dbraw/zinc/73/44/59/376734459.db2.gz XSITVBIQCMGFQM-UHFFFAOYSA-N -1 0 303.340 -0.391 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)NC)n(C)c1 ZINC000038020846 376735654 /nfs/dbraw/zinc/73/56/54/376735654.db2.gz XUBIAUWWTVYIKC-UHFFFAOYSA-N -1 0 317.367 -0.130 20 0 DBADRM O=C(CN1CCCS1(=O)=O)NC1(C(=O)[O-])CCCCC1 ZINC000262161460 376779961 /nfs/dbraw/zinc/77/99/61/376779961.db2.gz PPESQYUASUPZJB-UHFFFAOYSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@H](C(=O)N(C)[C@@H](C)C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC000262212223 376786707 /nfs/dbraw/zinc/78/67/07/376786707.db2.gz UHODVXIYEPXYLY-DTWKUNHWSA-N -1 0 307.368 -0.100 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000262245568 376789498 /nfs/dbraw/zinc/78/94/98/376789498.db2.gz RAIBPJOHRVQYMP-QMMMGPOBSA-N -1 0 300.336 -0.061 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCCS1(=O)=O)c1ccccc1 ZINC000262074992 376768262 /nfs/dbraw/zinc/76/82/62/376768262.db2.gz DJUCSHPHNXJWPP-GFCCVEGCSA-N -1 0 312.347 -0.036 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)C[C@H]1CCCO1 ZINC000063155413 376811488 /nfs/dbraw/zinc/81/14/88/376811488.db2.gz HLKOZOOJMXXMLL-NXEZZACHSA-N -1 0 303.340 -0.496 20 0 DBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)C[C@@H](C)OC)cc1C ZINC000337856174 376900805 /nfs/dbraw/zinc/90/08/05/376900805.db2.gz LBNDZFMAAXMZDS-SECBINFHSA-N -1 0 304.372 -0.286 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]c1ccn(CC(=O)N(C)C)n1 ZINC000337754256 376882130 /nfs/dbraw/zinc/88/21/30/376882130.db2.gz KVBRSBWTGOHWDH-SECBINFHSA-N -1 0 304.372 -0.252 20 0 DBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C)nc2)n1 ZINC000337788427 376888403 /nfs/dbraw/zinc/88/84/03/376888403.db2.gz ZCTNCSLYHUIAJM-UHFFFAOYSA-N -1 0 311.323 -0.045 20 0 DBADRM O=C([O-])CSCCNC(=O)Cn1nc2ccccn2c1=O ZINC000262460450 376936094 /nfs/dbraw/zinc/93/60/94/376936094.db2.gz XYFTXZFTECPSTG-UHFFFAOYSA-N -1 0 310.335 -0.570 20 0 DBADRM CCCc1nc(=NC(=O)CN2CCS(=O)(=O)CC2)s[n-]1 ZINC000338643789 376953498 /nfs/dbraw/zinc/95/34/98/376953498.db2.gz OWBYPPLOXJNJFH-UHFFFAOYSA-N -1 0 318.424 -0.419 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000262527849 377013841 /nfs/dbraw/zinc/01/38/41/377013841.db2.gz RYWWSNAQQNWGHI-LBPRGKRZSA-N -1 0 324.308 -0.204 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000262580770 377031801 /nfs/dbraw/zinc/03/18/01/377031801.db2.gz FPCCTHNUHNWZGM-GHMZBOCLSA-N -1 0 312.347 -0.198 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N(C)CCCC(=O)[O-] ZINC000262591748 377032751 /nfs/dbraw/zinc/03/27/51/377032751.db2.gz HWLACOJREORRBD-UHFFFAOYSA-N -1 0 324.399 -0.346 20 0 DBADRM COCCS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000262596425 377036400 /nfs/dbraw/zinc/03/64/00/377036400.db2.gz IWHLXFCULFUYCV-UHFFFAOYSA-N -1 0 301.320 -0.079 20 0 DBADRM O=c1[n-]c([C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)n[nH]1 ZINC000338992408 377001047 /nfs/dbraw/zinc/00/10/47/377001047.db2.gz MINRWGKPNDHVJM-SECBINFHSA-N -1 0 317.371 -0.733 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CN2C(=O)c3ccccc3C2=O)CCO1 ZINC000262995676 377108657 /nfs/dbraw/zinc/10/86/57/377108657.db2.gz OZHWBMICGMZNRO-LLVKDONJSA-N -1 0 318.285 -0.405 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000263047304 377109154 /nfs/dbraw/zinc/10/91/54/377109154.db2.gz WNHLDLUNWLOTOS-SNVBAGLBSA-N -1 0 324.399 -0.490 20 0 DBADRM CC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@]2(CCOC2)O1 ZINC000366517378 377126473 /nfs/dbraw/zinc/12/64/73/377126473.db2.gz FMRKKERHAREHEF-HZMBPMFUSA-N -1 0 311.338 -0.665 20 0 DBADRM CN(CC(=O)[O-])C(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000263097268 377111038 /nfs/dbraw/zinc/11/10/38/377111038.db2.gz NUGDBDWHXROHMG-UHFFFAOYSA-N -1 0 311.319 -0.106 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000262612568 377066709 /nfs/dbraw/zinc/06/67/09/377066709.db2.gz LLJWPQYLGAOKIH-IJLUTSLNSA-N -1 0 310.350 -0.196 20 0 DBADRM CCN1C(=O)c2ccc(C(=O)NCC(=O)[O-])cc2S1(=O)=O ZINC000262633714 377071190 /nfs/dbraw/zinc/07/11/90/377071190.db2.gz OVBWQJFAHHUDBV-UHFFFAOYSA-N -1 0 312.303 -0.335 20 0 DBADRM COc1ccc(C[C@@H](CO)CNC(=O)c2n[nH]c(=O)[n-]2)cc1O ZINC000531635322 377078162 /nfs/dbraw/zinc/07/81/62/377078162.db2.gz RAGHQPQSQLKWDE-SECBINFHSA-N -1 0 322.321 -0.195 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)NCC1(C(=O)[O-])CCC1)c2=O ZINC000531752142 377081513 /nfs/dbraw/zinc/08/15/13/377081513.db2.gz BVPLEMURTSZMFD-UHFFFAOYSA-N -1 0 319.321 -0.499 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000262891484 377101602 /nfs/dbraw/zinc/10/16/02/377101602.db2.gz ALNGLQNXBQRUGN-IUCAKERBSA-N -1 0 322.383 -0.849 20 0 DBADRM CC(C)[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000262880403 377102160 /nfs/dbraw/zinc/10/21/60/377102160.db2.gz LGYCYLSFXWQTHF-SECBINFHSA-N -1 0 307.372 -0.873 20 0 DBADRM CC(C)[C@@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000262876689 377102333 /nfs/dbraw/zinc/10/23/33/377102333.db2.gz KLRURLMTNTUKSO-SNVBAGLBSA-N -1 0 318.355 -0.854 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000411101911 377128056 /nfs/dbraw/zinc/12/80/56/377128056.db2.gz WSETXFAVMODOFY-QMMMGPOBSA-N -1 0 320.353 -0.106 20 0 DBADRM COc1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cc1O ZINC000571165543 377152719 /nfs/dbraw/zinc/15/27/19/377152719.db2.gz FXWANIYZYCINBW-UHFFFAOYSA-N -1 0 310.306 -0.002 20 0 DBADRM Cc1nc(S(=O)(=O)NCCC(=O)NCC[C@H](C)O)cn1C ZINC000339939149 377158831 /nfs/dbraw/zinc/15/88/31/377158831.db2.gz LPQCYICHZZIXKI-VIFPVBQESA-N -1 0 318.399 -0.716 20 0 DBADRM CN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000607117273 377198782 /nfs/dbraw/zinc/19/87/82/377198782.db2.gz JLPZIJJIKPEABN-UHFFFAOYSA-N -1 0 303.278 -0.650 20 0 DBADRM COCCN(C)S(=O)(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000571438277 377227192 /nfs/dbraw/zinc/22/71/92/377227192.db2.gz CUBBARCAKZWHIW-UHFFFAOYSA-N -1 0 310.372 -0.577 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)Nc1cccc(C(=O)[O-])c1)[C@@H](C)CO ZINC000571522536 377251873 /nfs/dbraw/zinc/25/18/73/377251873.db2.gz CEMBYKLOPUOQKC-UWVGGRQHSA-N -1 0 324.333 -0.087 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000571614040 377257340 /nfs/dbraw/zinc/25/73/40/377257340.db2.gz GZVPNQDVXYTHLK-NAKRPEOUSA-N -1 0 324.399 -0.456 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(CC)C(=O)C1=O)C(=O)[O-] ZINC000261675038 377258892 /nfs/dbraw/zinc/25/88/92/377258892.db2.gz HCVDLZQZCBRBJS-ONGXEEELSA-N -1 0 313.354 -0.707 20 0 DBADRM O=C([O-])CCCNS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000261896953 377261112 /nfs/dbraw/zinc/26/11/12/377261112.db2.gz XVOIXMCPNIRUGM-UHFFFAOYSA-N -1 0 311.323 -0.195 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)NCCCC(=O)[O-] ZINC000261855850 377261721 /nfs/dbraw/zinc/26/17/21/377261721.db2.gz NVTCZMODGACFFF-UHFFFAOYSA-N -1 0 305.312 -0.271 20 0 DBADRM O=C(CN1C(=O)c2ccccc2C1=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000262046968 377263866 /nfs/dbraw/zinc/26/38/66/377263866.db2.gz DXSZKTVJBXLJFC-OAHLLOKOSA-N -1 0 318.285 -0.358 20 0 DBADRM COC[C@](C)(NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000262078463 377265172 /nfs/dbraw/zinc/26/51/72/377265172.db2.gz JWOAOZQPXVFZEO-HNNXBMFYSA-N -1 0 320.301 -0.112 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)[C@@H](C)C(=O)[O-])C1 ZINC000263335648 377265778 /nfs/dbraw/zinc/26/57/78/377265778.db2.gz WEIBNYLAMZAWNP-UWVGGRQHSA-N -1 0 306.384 -0.020 20 0 DBADRM CC[C@H]1C(=O)NCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000264406676 377314439 /nfs/dbraw/zinc/31/44/39/377314439.db2.gz HAPUEUKTBQFYFV-VIFPVBQESA-N -1 0 317.305 -0.213 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc(C(N)=O)cc1)[C@H](C)C(=O)[O-] ZINC000262267725 377271078 /nfs/dbraw/zinc/27/10/78/377271078.db2.gz UCEBBTOVVMUEKG-SECBINFHSA-N -1 0 321.333 -0.163 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)c(C)o1 ZINC000262390010 377271983 /nfs/dbraw/zinc/27/19/83/377271983.db2.gz KGCYJZZBQLBDAF-UHFFFAOYSA-N -1 0 320.323 -0.591 20 0 DBADRM CCN1CCN(CC(=O)N2CCCC[C@@H]2C(=O)[O-])C(=O)C1=O ZINC000262649374 377278782 /nfs/dbraw/zinc/27/87/82/377278782.db2.gz JDMXGBRPCWVXJN-SNVBAGLBSA-N -1 0 311.338 -0.857 20 0 DBADRM CCN1CCN(CC(=O)N2CCC[C@H](C(=O)[O-])C2)C(=O)C1=O ZINC000262696533 377279733 /nfs/dbraw/zinc/27/97/33/377279733.db2.gz XTMNEAKBSZIXJJ-JTQLQIEISA-N -1 0 311.338 -1.000 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)CC(=O)[O-] ZINC000262956929 377280307 /nfs/dbraw/zinc/28/03/07/377280307.db2.gz JQMJKPJAUAYMOO-ZETCQYMHSA-N -1 0 316.335 -0.064 20 0 DBADRM CO[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-] ZINC000263039576 377280474 /nfs/dbraw/zinc/28/04/74/377280474.db2.gz DIUUCVGZSWOWAS-MWLCHTKSSA-N -1 0 310.306 -0.156 20 0 DBADRM CO[C@@H](CNC(=O)CNC(=O)COc1ccccc1)C(=O)[O-] ZINC000262879137 377281858 /nfs/dbraw/zinc/28/18/58/377281858.db2.gz LAGLKNIFONEKJY-NSHDSACASA-N -1 0 310.306 -0.603 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1cccn(C)c1=O)C(=O)[O-] ZINC000263241561 377283418 /nfs/dbraw/zinc/28/34/18/377283418.db2.gz FBOULIPNCGWQPV-NSHDSACASA-N -1 0 323.349 -0.269 20 0 DBADRM CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](OC)C(=O)[O-] ZINC000263136450 377284104 /nfs/dbraw/zinc/28/41/04/377284104.db2.gz UIWGTTKAHZKFGH-RKDXNWHRSA-N -1 0 304.368 -0.096 20 0 DBADRM COC[C@@H](NC(=O)CN1C(=O)c2ccc(C)cc2C1=O)C(=O)[O-] ZINC000263497594 377284657 /nfs/dbraw/zinc/28/46/57/377284657.db2.gz YFOABKILUMLJTB-LLVKDONJSA-N -1 0 320.301 -0.193 20 0 DBADRM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NN2CC(=O)NC2=O)C1 ZINC000263640738 377285543 /nfs/dbraw/zinc/28/55/43/377285543.db2.gz ARKZOCRNIXWDTP-UWVGGRQHSA-N -1 0 310.354 -0.146 20 0 DBADRM CC(=O)NCC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000263640903 377286591 /nfs/dbraw/zinc/28/65/91/377286591.db2.gz ABUUECRQQKITQM-UHFFFAOYSA-N -1 0 305.334 -0.187 20 0 DBADRM COc1cc(C)[nH]c(=NNS(=O)(=O)N2CCOCC2)n1 ZINC000268787879 377374885 /nfs/dbraw/zinc/37/48/85/377374885.db2.gz SNRGLXSISRTYAO-UHFFFAOYSA-N -1 0 303.344 -0.713 20 0 DBADRM COc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC000268921676 377378296 /nfs/dbraw/zinc/37/82/96/377378296.db2.gz SWJCSXWUVRZTFR-ZJUUUORDSA-N -1 0 306.322 -0.146 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NCCC(=O)[O-])ccc1F ZINC000269169622 377384219 /nfs/dbraw/zinc/38/42/19/377384219.db2.gz HETKPMGRURXCDF-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM CCC[C@@H](NC(=O)Cn1cc(C(=O)OC)nn1)c1nnn[n-]1 ZINC000268176064 377344609 /nfs/dbraw/zinc/34/46/09/377344609.db2.gz KPVBTZPMAQUFSI-SSDOTTSWSA-N -1 0 308.302 -0.765 20 0 DBADRM COC[C@@H](CCO)N=c1nn[n-]n1Cc1ccc(OC)cc1 ZINC000631126897 377462262 /nfs/dbraw/zinc/46/22/62/377462262.db2.gz VGJVOEZALIQADD-GFCCVEGCSA-N -1 0 307.354 -0.039 20 0 DBADRM COC[C@H](CCO)N=c1nn[n-]n1Cc1ccc(OC)cc1 ZINC000631126903 377463153 /nfs/dbraw/zinc/46/31/53/377463153.db2.gz VGJVOEZALIQADD-LBPRGKRZSA-N -1 0 307.354 -0.039 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CN2CCOCC2)s1 ZINC000270798093 377468037 /nfs/dbraw/zinc/46/80/37/377468037.db2.gz YSWOITQETXZSKE-UHFFFAOYSA-N -1 0 321.384 -0.820 20 0 DBADRM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)[N-]OCC(N)=O ZINC000271449856 377497897 /nfs/dbraw/zinc/49/78/97/377497897.db2.gz VHQNYGGAYDJMQF-MRVPVSSYSA-N -1 0 303.384 -0.143 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 ZINC000271466478 377498756 /nfs/dbraw/zinc/49/87/56/377498756.db2.gz YAQYHLRUGFDVBV-GFCCVEGCSA-N -1 0 305.334 -0.247 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000271540737 377499526 /nfs/dbraw/zinc/49/95/26/377499526.db2.gz NKHHFNDMFARHMZ-CYBMUJFWSA-N -1 0 321.377 -0.241 20 0 DBADRM NC(=O)C1=NO[C@@H](CNS(=O)(=O)c2cccc(F)c2F)C1 ZINC000275859267 377532918 /nfs/dbraw/zinc/53/29/18/377532918.db2.gz IHSYVFPKSIOBLZ-ZCFIWIBFSA-N -1 0 319.289 -0.127 20 0 DBADRM COc1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)ccc1F ZINC000276207277 377554188 /nfs/dbraw/zinc/55/41/88/377554188.db2.gz KEXMUEPMRZSACO-WKEGUHRASA-N -1 0 307.299 -0.053 20 0 DBADRM COC[C@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@@H](C)O1 ZINC000276080304 377547188 /nfs/dbraw/zinc/54/71/88/377547188.db2.gz UUZUTWYLKLRQTG-HTQZYQBOSA-N -1 0 302.356 -0.548 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000276749452 377570403 /nfs/dbraw/zinc/57/04/03/377570403.db2.gz SUWICZPDBHEEPV-LLVKDONJSA-N -1 0 313.331 -0.127 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccco1 ZINC000277294203 377591710 /nfs/dbraw/zinc/59/17/10/377591710.db2.gz RETUYMURDYSCCS-YUMQZZPRSA-N -1 0 302.308 -0.381 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2ccco2)C1 ZINC000277331668 377592239 /nfs/dbraw/zinc/59/22/39/377592239.db2.gz VNUCTSQLUWEMGJ-MRVPVSSYSA-N -1 0 302.308 -0.509 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000277294244 377592937 /nfs/dbraw/zinc/59/29/37/377592937.db2.gz AKCQIQTZCWUAFU-UHFFFAOYSA-N -1 0 310.335 -0.241 20 0 DBADRM Cc1nc(C)c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)s1 ZINC000277412234 377595754 /nfs/dbraw/zinc/59/57/54/377595754.db2.gz HTNUCEISECQADJ-UHFFFAOYSA-N -1 0 305.381 -0.044 20 0 DBADRM CC(C)(C)c1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)[nH]n1 ZINC000277839956 377608181 /nfs/dbraw/zinc/60/81/81/377608181.db2.gz ZVXKHVRPCXSBQS-UHFFFAOYSA-N -1 0 316.383 -0.097 20 0 DBADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000279217315 377645971 /nfs/dbraw/zinc/64/59/71/377645971.db2.gz HPEYWAPYUVVGLT-JTQLQIEISA-N -1 0 309.307 -0.490 20 0 DBADRM O=c1nc(CCNS(=O)(=O)c2ccc3c(c2)OCO3)[n-]o1 ZINC000279365206 377651704 /nfs/dbraw/zinc/65/17/04/377651704.db2.gz KVDCJEDSYXYZJC-UHFFFAOYSA-N -1 0 313.291 -0.387 20 0 DBADRM C[C@H]1OCC[C@@]12CN(C(=O)c1cnc([O-])n(C)c1=O)C[C@@H](C)O2 ZINC000279402884 377653846 /nfs/dbraw/zinc/65/38/46/377653846.db2.gz RUTPOSHYCUXJCD-IQMDTDKHSA-N -1 0 323.349 -0.106 20 0 DBADRM COC[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)[C@H]1CCCO1 ZINC000279534073 377657897 /nfs/dbraw/zinc/65/78/97/377657897.db2.gz RQKBMSDRIPKVTL-HTQZYQBOSA-N -1 0 302.356 -0.500 20 0 DBADRM Cc1cc2c(cc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)OCO2 ZINC000279978411 377673398 /nfs/dbraw/zinc/67/33/98/377673398.db2.gz KLTQZOHLSMRCEX-WRWORJQWSA-N -1 0 317.319 -0.164 20 0 DBADRM Cn1c2ccccc2n(CC(=O)NCCc2nc(=O)o[n-]2)c1=O ZINC000280079916 377676574 /nfs/dbraw/zinc/67/65/74/377676574.db2.gz KOVFPDMDBYTICW-UHFFFAOYSA-N -1 0 317.305 -0.625 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)NCCc1nc(=O)o[n-]1 ZINC000280085515 377676957 /nfs/dbraw/zinc/67/69/57/377676957.db2.gz KZIUNDSRLJANPW-ZETCQYMHSA-N -1 0 300.340 -0.667 20 0 DBADRM O=C(Cn1ccc(C(F)(F)F)n1)NCCc1nc(=O)o[n-]1 ZINC000280108674 377679055 /nfs/dbraw/zinc/67/90/55/377679055.db2.gz NDBMTKVDFZTOKV-UHFFFAOYSA-N -1 0 305.216 -0.063 20 0 DBADRM C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000280121941 377679934 /nfs/dbraw/zinc/67/99/34/377679934.db2.gz ZSYYCBMXYBPORH-ZETCQYMHSA-N -1 0 322.364 -0.373 20 0 DBADRM Cc1nc2ccnn2c(C)c1C(=O)NCCc1nc(=O)o[n-]1 ZINC000280233179 377681365 /nfs/dbraw/zinc/68/13/65/377681365.db2.gz XRPAFLGENIMDLN-UHFFFAOYSA-N -1 0 302.294 -0.005 20 0 DBADRM COC[C@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000280311919 377687659 /nfs/dbraw/zinc/68/76/59/377687659.db2.gz SYDCTQXRIRZVFF-ZETCQYMHSA-N -1 0 308.294 -0.518 20 0 DBADRM Cn1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)n1 ZINC000340081921 377723262 /nfs/dbraw/zinc/72/32/62/377723262.db2.gz WABGBDRHOAUUOP-UHFFFAOYSA-N -1 0 324.362 -0.057 20 0 DBADRM CCN(CC)S(=O)(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000281812335 377750209 /nfs/dbraw/zinc/75/02/09/377750209.db2.gz GBZPSZMFOYYVCJ-UHFFFAOYSA-N -1 0 312.355 -0.046 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000281960327 377758964 /nfs/dbraw/zinc/75/89/64/377758964.db2.gz DOKJNZAHJDNVDN-LLVKDONJSA-N -1 0 324.358 -0.061 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H](O)c1ccccc1 ZINC000282294265 377772389 /nfs/dbraw/zinc/77/23/89/377772389.db2.gz RWSNBWAKYFTZSL-LLVKDONJSA-N -1 0 300.336 -0.698 20 0 DBADRM CCc1nnc(C)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000282292167 377773067 /nfs/dbraw/zinc/77/30/67/377773067.db2.gz RQHWWMQJTGQJEW-UHFFFAOYSA-N -1 0 314.367 -0.457 20 0 DBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NC2(C(=O)[O-])CC2)cn1 ZINC000282946378 377801483 /nfs/dbraw/zinc/80/14/83/377801483.db2.gz VDMNVJAXAQESDT-UHFFFAOYSA-N -1 0 320.348 -0.619 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCCN1CCCC1=O ZINC000283240557 377818156 /nfs/dbraw/zinc/81/81/56/377818156.db2.gz LFWFYFUYMQMNHD-UHFFFAOYSA-N -1 0 303.384 -0.474 20 0 DBADRM O=C(CNS(=O)(=O)c1cccnc1)[N-]O[C@H]1CCCCO1 ZINC000289671501 377885511 /nfs/dbraw/zinc/88/55/11/377885511.db2.gz DZNJLKNCNFWUBL-LBPRGKRZSA-N -1 0 315.351 -0.066 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-] ZINC000290936216 377919027 /nfs/dbraw/zinc/91/90/27/377919027.db2.gz JVQMIFWAWMQBDC-MRVPVSSYSA-N -1 0 321.307 -0.166 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)NCC[C@H](C)O ZINC000291255108 377923732 /nfs/dbraw/zinc/92/37/32/377923732.db2.gz KIWSBRGYUDRVAP-ZETCQYMHSA-N -1 0 305.356 -0.543 20 0 DBADRM O=C(CNS(=O)(=O)c1ccccc1F)NC[C@H](O)C1CC1 ZINC000291243503 377924168 /nfs/dbraw/zinc/92/41/68/377924168.db2.gz JNQLMHNZVACIEE-NSHDSACASA-N -1 0 316.354 -0.009 20 0 DBADRM COc1ncccc1CCNC(=O)c1cnc([O-])n(C)c1=O ZINC000292185964 377944773 /nfs/dbraw/zinc/94/47/73/377944773.db2.gz JSSACSUCOUJYCW-UHFFFAOYSA-N -1 0 304.306 -0.138 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)CCOCc1ccccc1 ZINC000295227378 378005887 /nfs/dbraw/zinc/00/58/87/378005887.db2.gz WKMASWRUBOZYRD-GFCCVEGCSA-N -1 0 317.363 -0.344 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)N[C@H]1CC(=O)N(C)C1=O ZINC000295994601 378016811 /nfs/dbraw/zinc/01/68/11/378016811.db2.gz LTRYYZKHVOHRKM-QMMMGPOBSA-N -1 0 317.392 -0.329 20 0 DBADRM O=C([O-])CCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000340446817 377980640 /nfs/dbraw/zinc/98/06/40/377980640.db2.gz OZJSXYJKDJABTG-UHFFFAOYSA-N -1 0 313.291 -0.206 20 0 DBADRM C[C@H](c1ccccc1)[C@@H](NC(=O)CN1CC(=O)NC1=O)C(N)=O ZINC000294455394 377991338 /nfs/dbraw/zinc/99/13/38/377991338.db2.gz ZZJQVWIHBPGBQP-NOZJJQNGSA-N -1 0 318.333 -0.688 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000294521613 377993104 /nfs/dbraw/zinc/99/31/04/377993104.db2.gz FDAMGAPCCDPOGC-QMMMGPOBSA-N -1 0 320.374 -0.064 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cn1 ZINC000328826951 378186704 /nfs/dbraw/zinc/18/67/04/378186704.db2.gz JMBWSDAVLGULPW-UHFFFAOYSA-N -1 0 312.355 -0.188 20 0 DBADRM C[C@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCN1CCO ZINC000330784364 378274873 /nfs/dbraw/zinc/27/48/73/378274873.db2.gz RTZCOOLNFMYVNP-QMMMGPOBSA-N -1 0 301.372 -0.873 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CCOC1 ZINC000262318462 378308033 /nfs/dbraw/zinc/30/80/33/378308033.db2.gz QNRUCZPLWXZFGU-CPCISQLKSA-N -1 0 324.255 -0.243 20 0 DBADRM Cc1cc(C)nc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000182732153 378327624 /nfs/dbraw/zinc/32/76/24/378327624.db2.gz CFCWMUCMOXRNKL-UHFFFAOYSA-N -1 0 324.362 -0.103 20 0 DBADRM CC(=O)CNC(=O)[C@H](C)Sc1n[n-]c2nc(=O)c(C)nn12 ZINC000344722694 378364844 /nfs/dbraw/zinc/36/48/44/378364844.db2.gz DIMDUCVHFHWATE-ZETCQYMHSA-N -1 0 310.339 -0.693 20 0 DBADRM CC[C@@H]1CN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)CCO1 ZINC000530147660 378443480 /nfs/dbraw/zinc/44/34/80/378443480.db2.gz GTLKUGVLDWYVSV-MRVPVSSYSA-N -1 0 303.340 -0.082 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000535838799 378430216 /nfs/dbraw/zinc/43/02/16/378430216.db2.gz HELRDTCWTTVWLX-UHFFFAOYSA-N -1 0 302.233 -0.311 20 0 DBADRM CCn1cnc(S(=O)(=O)NCCN2CCCS2(=O)=O)c1 ZINC000329975259 378517748 /nfs/dbraw/zinc/51/77/48/378517748.db2.gz YAPZARJZGLCBSL-UHFFFAOYSA-N -1 0 322.412 -0.783 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000332745699 378548010 /nfs/dbraw/zinc/54/80/10/378548010.db2.gz FUUZVBCZMDHAHE-GHMZBOCLSA-N -1 0 315.333 -0.094 20 0 DBADRM C[C@H]1CN(CCNC(=O)c2c[n-]n3c2nccc3=O)[C@@H](C)CO1 ZINC000617722995 378562685 /nfs/dbraw/zinc/56/26/85/378562685.db2.gz HTUDIOYDEZVCTR-QWRGUYRKSA-N -1 0 319.365 -0.138 20 0 DBADRM CN(CCC(=O)[O-])C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000532694177 378586047 /nfs/dbraw/zinc/58/60/47/378586047.db2.gz YLOVUNYDSLDZBM-UHFFFAOYSA-N -1 0 300.336 -0.190 20 0 DBADRM C[C@@H]1CN(C(=O)NCCS(=O)(=O)N(C)C)CC[C@H]1C(=O)[O-] ZINC000313968797 378591080 /nfs/dbraw/zinc/59/10/80/378591080.db2.gz NIUWUZIZYDLSCP-NXEZZACHSA-N -1 0 321.399 -0.370 20 0 DBADRM COCc1n[n-]c(S(=O)(=O)[C@H](C)C(=O)NCC(C)C)n1 ZINC000353888421 378690540 /nfs/dbraw/zinc/69/05/40/378690540.db2.gz KVQJZYBUJTYOPC-MRVPVSSYSA-N -1 0 304.372 -0.115 20 0 DBADRM COCc1n[n-]c(S(=O)(=O)CC(=O)N[C@@H](C)C(C)C)n1 ZINC000353895904 378691559 /nfs/dbraw/zinc/69/15/59/378691559.db2.gz PESNZXHFOPKLAN-QMMMGPOBSA-N -1 0 304.372 -0.115 20 0 DBADRM COC[C@@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000354295375 378723283 /nfs/dbraw/zinc/72/32/83/378723283.db2.gz HNTFEXJNTLWBQB-ZCFIWIBFSA-N -1 0 314.323 -0.251 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCCc2ccn(C)n2)o1 ZINC000354764893 378762716 /nfs/dbraw/zinc/76/27/16/378762716.db2.gz RUUVYKBVTGQDOG-UHFFFAOYSA-N -1 0 312.351 -0.106 20 0 DBADRM CSc1nc(=NC(=O)NC[C@@H](C)S(N)(=O)=O)s[n-]1 ZINC000354960644 378773653 /nfs/dbraw/zinc/77/36/53/378773653.db2.gz PRCPQJNJGVDOSW-SCSAIBSYSA-N -1 0 311.414 -0.520 20 0 DBADRM NC(=O)[C@H]1CC[C@H](C(=O)N=c2nc(-c3cccnc3)[n-]s2)O1 ZINC000355317678 378805991 /nfs/dbraw/zinc/80/59/91/378805991.db2.gz RKADSWSVJVRWKI-RKDXNWHRSA-N -1 0 319.346 -0.007 20 0 DBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N1CC(=O)N(C)C1 ZINC000355456923 378815771 /nfs/dbraw/zinc/81/57/71/378815771.db2.gz OVXLSZLGDGEGFU-UHFFFAOYSA-N -1 0 314.319 -0.181 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cnnn1Cc1ccccc1 ZINC000355498240 378818518 /nfs/dbraw/zinc/81/85/18/378818518.db2.gz FITXTVLDBLTYOD-UHFFFAOYSA-N -1 0 314.305 -0.025 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H]1CCN(C)C1=O ZINC000355838501 378840597 /nfs/dbraw/zinc/84/05/97/378840597.db2.gz ZUZFEYNMOWSSTN-VWYCJHECSA-N -1 0 318.395 -0.132 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)NC)oc1C ZINC000355968465 378845461 /nfs/dbraw/zinc/84/54/61/378845461.db2.gz UBTFCUJHOAOZQD-LURJTMIESA-N -1 0 303.340 -0.640 20 0 DBADRM CC1(O)CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000356280165 378868009 /nfs/dbraw/zinc/86/80/09/378868009.db2.gz NIZFOZGMXDSJCQ-UHFFFAOYSA-N -1 0 320.317 -0.164 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC ZINC000356589159 378890030 /nfs/dbraw/zinc/89/00/30/378890030.db2.gz GZLOMUGSWKXLLJ-LPEHRKFASA-N -1 0 323.367 -0.829 20 0 DBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)NC1(c2nnn[n-]2)CC1 ZINC000357071932 378916522 /nfs/dbraw/zinc/91/65/22/378916522.db2.gz GBMPOEIIQRIELJ-UHFFFAOYSA-N -1 0 319.325 -0.830 20 0 DBADRM COc1ccc(C(=O)NCC(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000357062778 378916797 /nfs/dbraw/zinc/91/67/97/378916797.db2.gz XUQZWUPQKNRGSD-UHFFFAOYSA-N -1 0 316.321 -0.256 20 0 DBADRM CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2cn(C)cn2)n1 ZINC000357512176 378949787 /nfs/dbraw/zinc/94/97/87/378949787.db2.gz BOWHONAFTWFPFC-UHFFFAOYSA-N -1 0 312.355 -0.494 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000358384745 379034097 /nfs/dbraw/zinc/03/40/97/379034097.db2.gz LYCNLDCWESNCBN-SECBINFHSA-N -1 0 318.403 -0.519 20 0 DBADRM COCCN1C[C@@H](C(=O)N(C)C[C@@H](C)c2nnn[n-]2)CC1=O ZINC000358384765 379034556 /nfs/dbraw/zinc/03/45/56/379034556.db2.gz TVLJKGYCJZAUSU-ZJUUUORDSA-N -1 0 310.358 -0.744 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cnc2c(c1)NC(=O)CO2)c1nnn[n-]1 ZINC000358386191 379034897 /nfs/dbraw/zinc/03/48/97/379034897.db2.gz WWILBTMKPHBZGZ-ZETCQYMHSA-N -1 0 317.309 -0.199 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000358384746 379035277 /nfs/dbraw/zinc/03/52/77/379035277.db2.gz LYCNLDCWESNCBN-VIFPVBQESA-N -1 0 318.403 -0.519 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)CCn2ccnn2)C1=O ZINC000358461985 379039883 /nfs/dbraw/zinc/03/98/83/379039883.db2.gz GZINXDCCYVRXAA-CMPLNLGQSA-N -1 0 323.353 -0.506 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000358360600 379030713 /nfs/dbraw/zinc/03/07/13/379030713.db2.gz FVMFAMMDGYBLFA-QMMMGPOBSA-N -1 0 305.294 -0.232 20 0 DBADRM CCn1c2ccccc2n(CC(=O)NCc2n[nH]c(=O)[n-]2)c1=O ZINC000358362808 379032429 /nfs/dbraw/zinc/03/24/29/379032429.db2.gz WEOKRMWWZXCVAU-UHFFFAOYSA-N -1 0 316.321 -0.037 20 0 DBADRM Cc1nn2c(S[C@@H](C)C(=O)N3CCNC3=O)n[n-]c2nc1=O ZINC000358638932 379069537 /nfs/dbraw/zinc/06/95/37/379069537.db2.gz YECDUNSSJIQYCK-LURJTMIESA-N -1 0 323.338 -0.847 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)CCn2cncn2)C1=O ZINC000358692041 379075405 /nfs/dbraw/zinc/07/54/05/379075405.db2.gz OHHGUDMCHJUXKX-PWSUYJOCSA-N -1 0 323.353 -0.506 20 0 DBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C)cnc2N)cn1 ZINC000358573462 379060666 /nfs/dbraw/zinc/06/06/66/379060666.db2.gz RTVMBUYVEVDPNX-UHFFFAOYSA-N -1 0 324.366 -0.284 20 0 DBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000358945511 379110298 /nfs/dbraw/zinc/11/02/98/379110298.db2.gz FIKXBVVWAIPKDP-RXMQYKEDSA-N -1 0 310.343 -0.371 20 0 DBADRM CC(C)N(C(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-])C(C)C ZINC000643435997 379117173 /nfs/dbraw/zinc/11/71/73/379117173.db2.gz HYUKQBJWUUBVPQ-NSHDSACASA-N -1 0 320.411 -0.185 20 0 DBADRM CC(C)(NC(=O)CNC(=O)Cc1ccccc1)c1nnn[n-]1 ZINC000359783343 379197588 /nfs/dbraw/zinc/19/75/88/379197588.db2.gz ILTFDQGZPWIPHZ-UHFFFAOYSA-N -1 0 302.338 -0.090 20 0 DBADRM CS(=O)(=O)Nc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000359850349 379206695 /nfs/dbraw/zinc/20/66/95/379206695.db2.gz VMVMCWPHNYKGSM-UHFFFAOYSA-N -1 0 311.323 -0.188 20 0 DBADRM O=C([O-])C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000360409743 379263989 /nfs/dbraw/zinc/26/39/89/379263989.db2.gz YXXWZQXGVNAPGT-VIFPVBQESA-N -1 0 318.285 -0.405 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2nc(OC)n[nH]2)cn1C ZINC000360934184 379317682 /nfs/dbraw/zinc/31/76/82/379317682.db2.gz DPASUNNYFLWOSB-UHFFFAOYSA-N -1 0 315.311 -0.261 20 0 DBADRM O=C(CNC(=O)c1cccnc1)NC1(c2nnn[n-]2)CCCC1 ZINC000360992341 379320855 /nfs/dbraw/zinc/32/08/55/379320855.db2.gz BNEQKIXLCUQSEV-UHFFFAOYSA-N -1 0 315.337 -0.090 20 0 DBADRM Cn1cc(NC(=O)CNS(=O)(=O)c2ccccc2F)nn1 ZINC000361161408 379332481 /nfs/dbraw/zinc/33/24/81/379332481.db2.gz JKAKSMWXEZVPQB-UHFFFAOYSA-N -1 0 313.314 -0.129 20 0 DBADRM NC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000362500039 379444574 /nfs/dbraw/zinc/44/45/74/379444574.db2.gz QZKCEPLSAFCHDY-UWVGGRQHSA-N -1 0 305.290 -0.439 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)Cn1ncc(=O)c2ccccc21 ZINC000362531930 379446161 /nfs/dbraw/zinc/44/61/61/379446161.db2.gz GRKKMJXQXVILJB-UHFFFAOYSA-N -1 0 319.317 -0.044 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000362575795 379448763 /nfs/dbraw/zinc/44/87/63/379448763.db2.gz LJRKNUWFQQXXDS-RKDXNWHRSA-N -1 0 300.336 -0.057 20 0 DBADRM C[C@H](CN(C)S(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000362238720 379421047 /nfs/dbraw/zinc/42/10/47/379421047.db2.gz SNOVILWJLPAZJS-MRVPVSSYSA-N -1 0 301.386 -0.597 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCO3)CCO1 ZINC000643444167 379423081 /nfs/dbraw/zinc/42/30/81/379423081.db2.gz ZWTGOLFOKYVGNJ-LBPRGKRZSA-N -1 0 320.301 -0.128 20 0 DBADRM CN1C[C@@H](NC(=O)c2nn(-c3ccccc3)cc2[O-])C(=O)N1 ZINC000362981725 379484769 /nfs/dbraw/zinc/48/47/69/379484769.db2.gz CRDWMRQPABXSLG-SNVBAGLBSA-N -1 0 301.306 -0.347 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1Cl ZINC000368409954 379537323 /nfs/dbraw/zinc/53/73/23/379537323.db2.gz IOFRNFUEXAIWKM-ZETCQYMHSA-N -1 0 323.758 -0.062 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC000368415237 379541888 /nfs/dbraw/zinc/54/18/88/379541888.db2.gz ZQGRJOIFJQMLPR-XCBNKYQSSA-N -1 0 303.340 -0.668 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cn1 ZINC000368516677 379544389 /nfs/dbraw/zinc/54/43/89/379544389.db2.gz DGOFIPQXSNSCHJ-NSHDSACASA-N -1 0 319.339 -0.949 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3C2)CCO1 ZINC000643452235 379630059 /nfs/dbraw/zinc/63/00/59/379630059.db2.gz STQXVJIKNADFNH-ZDUSSCGKSA-N -1 0 318.329 -0.117 20 0 DBADRM COCCN(CCOC)S(=O)(=O)NC1(CC(=O)[O-])CCC1 ZINC000582418085 379651819 /nfs/dbraw/zinc/65/18/19/379651819.db2.gz DCSJEHRAOVUFOM-UHFFFAOYSA-N -1 0 324.399 -0.187 20 0 DBADRM CNC(=O)C1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC000626480856 379620806 /nfs/dbraw/zinc/62/08/06/379620806.db2.gz XRWDXOPOZMOUPK-UHFFFAOYSA-N -1 0 312.351 -0.729 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C[C@H](C)S1 ZINC000643457492 379687519 /nfs/dbraw/zinc/68/75/19/379687519.db2.gz GIGIMEQXIPICIM-KXUCPTDWSA-N -1 0 316.379 -0.349 20 0 DBADRM CN(C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C(C1CC1)C1CC1 ZINC000643457822 379687712 /nfs/dbraw/zinc/68/77/12/379687712.db2.gz KQBPYNXHCSPIGE-LLVKDONJSA-N -1 0 310.350 -0.055 20 0 DBADRM CCN(Cc1ccoc1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643458417 379692288 /nfs/dbraw/zinc/69/22/88/379692288.db2.gz XSAAAIZLFRAAFP-LLVKDONJSA-N -1 0 310.306 -0.060 20 0 DBADRM CCCN(CC(C)(C)O)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643458644 379694158 /nfs/dbraw/zinc/69/41/58/379694158.db2.gz COGVHVUSDFCQCG-JTQLQIEISA-N -1 0 316.354 -0.692 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCS1 ZINC000643460362 379701483 /nfs/dbraw/zinc/70/14/83/379701483.db2.gz WGZZDJJXSXLDDN-NXEZZACHSA-N -1 0 316.379 -0.348 20 0 DBADRM CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC000643460516 379704082 /nfs/dbraw/zinc/70/40/82/379704082.db2.gz VCAXAOSWEOYKOY-WDEREUQCSA-N -1 0 314.338 -0.818 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](C3CC3)C2)C1 ZINC000643461223 379708410 /nfs/dbraw/zinc/70/84/10/379708410.db2.gz ZWCWFIJLFPFKCX-XHDPSFHLSA-N -1 0 310.350 -0.053 20 0 DBADRM CCCCN(CCCO)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643462530 379792510 /nfs/dbraw/zinc/79/25/10/379792510.db2.gz CPECNJXAYHVVLU-NSHDSACASA-N -1 0 316.354 -0.691 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCO1 ZINC000643461835 379762693 /nfs/dbraw/zinc/76/26/93/379762693.db2.gz SWKYXCBTRNWVFZ-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000189384022 379781488 /nfs/dbraw/zinc/78/14/88/379781488.db2.gz ZQODTQYYUSSBTB-IEBDPFPHSA-N -1 0 316.317 -0.091 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C(F)F)CC2)C1 ZINC000633069814 379786164 /nfs/dbraw/zinc/78/61/64/379786164.db2.gz AZXBNRNJYJVEOR-DTWKUNHWSA-N -1 0 320.292 -0.198 20 0 DBADRM CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CCN1C ZINC000633070564 379787215 /nfs/dbraw/zinc/78/72/15/379787215.db2.gz MOBZAJRWTMZWAE-NWDGAFQWSA-N -1 0 311.382 -0.282 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000230103977 379868309 /nfs/dbraw/zinc/86/83/09/379868309.db2.gz TYJIANXCDVSUQR-QMMMGPOBSA-N -1 0 304.280 -0.027 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000224239348 379859058 /nfs/dbraw/zinc/85/90/58/379859058.db2.gz LCNLVOCLOJTUKZ-BDAKNGLRSA-N -1 0 303.340 -0.409 20 0 DBADRM CCC[C@@](C)(O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000230684299 379869922 /nfs/dbraw/zinc/86/99/22/379869922.db2.gz DHTXAKFCXWKTBA-LLVKDONJSA-N -1 0 305.356 -0.203 20 0 DBADRM CCC(=O)N[C@@H](CCSC)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000610891859 379860426 /nfs/dbraw/zinc/86/04/26/379860426.db2.gz GVEQVBZURJMMPG-VHSXEESVSA-N -1 0 318.395 -0.054 20 0 DBADRM CSCC[C@@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000040581548 379861137 /nfs/dbraw/zinc/86/11/37/379861137.db2.gz JAIIMDSKOAVDPV-MRVPVSSYSA-N -1 0 310.397 -0.367 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000610943897 379863138 /nfs/dbraw/zinc/86/31/38/379863138.db2.gz YBAOHEBKRGCHHA-SECBINFHSA-N -1 0 313.310 -0.864 20 0 DBADRM C[S@](=O)CCCNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000229194414 379866091 /nfs/dbraw/zinc/86/60/91/379866091.db2.gz IWEQMCXGZQNAHP-KRWDZBQOSA-N -1 0 312.394 -0.112 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)NC)n(C)c1 ZINC000044617705 379867054 /nfs/dbraw/zinc/86/70/54/379867054.db2.gz APJZMPUZUVZUFZ-VIFPVBQESA-N -1 0 317.367 -0.132 20 0 DBADRM C[C@H]1C[C@H](C)CN(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])C1 ZINC000230094961 379867259 /nfs/dbraw/zinc/86/72/59/379867259.db2.gz SFECHTCEIJOSSC-LPEHRKFASA-N -1 0 321.399 -0.483 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C3CC3)C2)CCO1 ZINC000643467250 379821789 /nfs/dbraw/zinc/82/17/89/379821789.db2.gz QPAQIJHCYSHVFR-NWDGAFQWSA-N -1 0 310.350 -0.053 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000228949656 379867887 /nfs/dbraw/zinc/86/78/87/379867887.db2.gz PHRXEFISDXELPW-LPEHRKFASA-N -1 0 319.383 -0.570 20 0 DBADRM COc1ccc(-c2nnc(CNC(=O)c3nc(=O)[nH][n-]3)[nH]2)cc1 ZINC000103533210 379826661 /nfs/dbraw/zinc/82/66/61/379826661.db2.gz LJIOIWRXGCZZLS-UHFFFAOYSA-N -1 0 315.293 -0.178 20 0 DBADRM Cc1n[nH]c(C(=O)NCC(C)(C)N2CCS(=O)CC2)c1[O-] ZINC000610987093 379871484 /nfs/dbraw/zinc/87/14/84/379871484.db2.gz DTSHAABLPCLBHZ-UHFFFAOYSA-N -1 0 314.411 -0.004 20 0 DBADRM O=C(NC[C@@H]1CCC[C@H](O)C1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000123570297 379884068 /nfs/dbraw/zinc/88/40/68/379884068.db2.gz TWUBJJRCPLPOTP-SCZZXKLOSA-N -1 0 318.333 -0.108 20 0 DBADRM NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000070415552 380089505 /nfs/dbraw/zinc/08/95/05/380089505.db2.gz NPWDUJHYGCBWGE-UHFFFAOYSA-N -1 0 302.337 -0.142 20 0 DBADRM CCOC(=O)C[C@H](C)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000420560874 380064831 /nfs/dbraw/zinc/06/48/31/380064831.db2.gz NUVCZXREHFNWQS-UWVGGRQHSA-N -1 0 314.338 -0.375 20 0 DBADRM CCOC(=O)CC[C@@H](C)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000420560811 380064841 /nfs/dbraw/zinc/06/48/41/380064841.db2.gz FQGJNQMDSYVZIK-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000420533887 380065183 /nfs/dbraw/zinc/06/51/83/380065183.db2.gz JJXJMJFAEDURRZ-UHFFFAOYSA-N -1 0 324.289 -0.499 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000420540320 380065313 /nfs/dbraw/zinc/06/53/13/380065313.db2.gz VZYRLSQGSLCAEX-CQSZACIVSA-N -1 0 314.338 -0.233 20 0 DBADRM CC(C)(C)N1C[C@H](NC(=O)C(=O)NCCCC(=O)[O-])CC1=O ZINC000420563573 380065345 /nfs/dbraw/zinc/06/53/45/380065345.db2.gz OTZBFWZTJWGKFW-SECBINFHSA-N -1 0 313.354 -0.517 20 0 DBADRM C[C@@]1(O)CCN(C(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000420579864 380066738 /nfs/dbraw/zinc/06/67/38/380066738.db2.gz FZRHEAOLEZORTL-OAHLLOKOSA-N -1 0 306.318 -0.016 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000420589853 380066879 /nfs/dbraw/zinc/06/68/79/380066879.db2.gz SGCDPZMZGKIYEE-SECBINFHSA-N -1 0 319.317 -0.652 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(c2ccccn2)CC1 ZINC000420599729 380068329 /nfs/dbraw/zinc/06/83/29/380068329.db2.gz MXOHZSZPRUYQIW-UHFFFAOYSA-N -1 0 306.322 -0.679 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)c1 ZINC000571882361 380122990 /nfs/dbraw/zinc/12/29/90/380122990.db2.gz XNWBZEQGRSGYBA-ONGXEEELSA-N -1 0 308.290 -0.865 20 0 DBADRM Cn1ccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)n1 ZINC000571916020 380125218 /nfs/dbraw/zinc/12/52/18/380125218.db2.gz PBLXAJNBAXEZHU-UHFFFAOYSA-N -1 0 302.400 -0.455 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NCCOCC(F)(F)F ZINC000571916210 380125680 /nfs/dbraw/zinc/12/56/80/380125680.db2.gz WNPVVXDTUMDMHS-SSDOTTSWSA-N -1 0 320.289 -0.051 20 0 DBADRM CO[C@@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000263021538 380207209 /nfs/dbraw/zinc/20/72/09/380207209.db2.gz ANYWZDCDIXGSKL-JTQLQIEISA-N -1 0 306.274 -0.502 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CCCC[C@@H]1C(=O)[O-] ZINC000262272684 380178660 /nfs/dbraw/zinc/17/86/60/380178660.db2.gz ISDJHGZCKBWBMM-VHSXEESVSA-N -1 0 301.343 -0.214 20 0 DBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(CC2CCC2)CCO1 ZINC000262958964 380206382 /nfs/dbraw/zinc/20/63/82/380206382.db2.gz PXCXBZDAQSSLEK-GFCCVEGCSA-N -1 0 320.411 -0.167 20 0 DBADRM COC[C@H](NC(=O)Cn1nnc(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC000262967818 380206457 /nfs/dbraw/zinc/20/64/57/380206457.db2.gz MNWWVEZOORMDSR-NSHDSACASA-N -1 0 319.321 -0.136 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000262921915 380206534 /nfs/dbraw/zinc/20/65/34/380206534.db2.gz IVBITOQGBXGQKL-BDAKNGLRSA-N -1 0 307.368 -0.100 20 0 DBADRM CC[C@@](C)(O)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000611670175 380198150 /nfs/dbraw/zinc/19/81/50/380198150.db2.gz BVFACEQAVRCRLV-GFCCVEGCSA-N -1 0 302.352 -0.070 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000262615077 380198416 /nfs/dbraw/zinc/19/84/16/380198416.db2.gz LSORRBZXRFKWDJ-VXGBXAGGSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C(CN1CSCC1=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000262725060 380200073 /nfs/dbraw/zinc/20/00/73/380200073.db2.gz GHPUKBPNDIGAAQ-KWQFWETISA-N -1 0 302.352 -0.485 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)CCC(F)(F)F ZINC000580437533 380268387 /nfs/dbraw/zinc/26/83/87/380268387.db2.gz XGJIELSJEOUGBM-UHFFFAOYSA-N -1 0 306.262 -0.551 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000263214342 380211941 /nfs/dbraw/zinc/21/19/41/380211941.db2.gz PIEKOYLJRWMQBC-NXEZZACHSA-N -1 0 306.384 -0.020 20 0 DBADRM CN(CC(=O)[O-])C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000263280734 380214103 /nfs/dbraw/zinc/21/41/03/380214103.db2.gz RVSGFVQDEXDZEF-CQSZACIVSA-N -1 0 305.290 -0.102 20 0 DBADRM CC(C)C[C@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000263399680 380217244 /nfs/dbraw/zinc/21/72/44/380217244.db2.gz GEDDUZKKOBJBPS-VIFPVBQESA-N -1 0 315.351 -0.042 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-] ZINC000263403085 380217275 /nfs/dbraw/zinc/21/72/75/380217275.db2.gz FOABUWJNPZNFQG-MWLCHTKSSA-N -1 0 310.306 -0.156 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@]1(C2CCCC2)CCNC1=O ZINC000626704766 380240079 /nfs/dbraw/zinc/24/00/79/380240079.db2.gz OELNQCGCIQAEAX-AWEZNQCLSA-N -1 0 308.338 -0.282 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CC(=O)N1 ZINC000422646091 380294515 /nfs/dbraw/zinc/29/45/15/380294515.db2.gz XPIWTPCZNFDENY-MRVPVSSYSA-N -1 0 305.290 -0.330 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCn2cccn2)C1 ZINC000422724848 380295855 /nfs/dbraw/zinc/29/58/55/380295855.db2.gz WTXLHLOJYWLHIY-WDEREUQCSA-N -1 0 308.338 -0.432 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000422697503 380295885 /nfs/dbraw/zinc/29/58/85/380295885.db2.gz UTPWSYGXPYMFHK-UWVGGRQHSA-N -1 0 314.338 -0.375 20 0 DBADRM COCCOCCNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000422726026 380296010 /nfs/dbraw/zinc/29/60/10/380296010.db2.gz YYVFCWTXJHXVNY-QWRGUYRKSA-N -1 0 316.354 -0.665 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000422724167 380296096 /nfs/dbraw/zinc/29/60/96/380296096.db2.gz UTJOEQATXYHVGO-IJLUTSLNSA-N -1 0 322.365 -0.043 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000422723743 380296144 /nfs/dbraw/zinc/29/61/44/380296144.db2.gz SHPAKFBBJJWNHV-CMPLNLGQSA-N -1 0 322.365 -0.123 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000422706863 380296212 /nfs/dbraw/zinc/29/62/12/380296212.db2.gz GHABKHWOJZGZNC-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM COC(=O)[C@H]1CCCN(C(=O)C(=O)N(C)CCCC(=O)[O-])C1 ZINC000422727962 380296407 /nfs/dbraw/zinc/29/64/07/380296407.db2.gz DWLFAQOUNNAFBG-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM COCCN(CC(F)F)C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000422797556 380297950 /nfs/dbraw/zinc/29/79/50/380297950.db2.gz NIHNMQVKLRTWHU-MRVPVSSYSA-N -1 0 310.297 -0.094 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)[C@@H]1CO ZINC000422832775 380299662 /nfs/dbraw/zinc/29/96/62/380299662.db2.gz FYFJZDRTLQCSNP-NOOOWODRSA-N -1 0 312.366 -0.215 20 0 DBADRM CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000422848407 380300620 /nfs/dbraw/zinc/30/06/20/380300620.db2.gz SXINYEDIWRIFAN-UWVGGRQHSA-N -1 0 314.338 -0.280 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C[C@H]1OC ZINC000422855181 380300776 /nfs/dbraw/zinc/30/07/76/380300776.db2.gz DRSHRUPLAWZAKD-GWOFURMSSA-N -1 0 314.338 -0.962 20 0 DBADRM C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422833968 380300806 /nfs/dbraw/zinc/30/08/06/380300806.db2.gz HGDHDUKFEORCBN-JRPNMDOOSA-N -1 0 310.350 -0.053 20 0 DBADRM CC(C)CN1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])CC1=O ZINC000422864410 380301964 /nfs/dbraw/zinc/30/19/64/380301964.db2.gz UZZXBDOXBLXVNC-UHFFFAOYSA-N -1 0 313.354 -0.754 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@H]2CCO)C1 ZINC000422929694 380303227 /nfs/dbraw/zinc/30/32/27/380303227.db2.gz RDAWCZUZOJOXHS-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)N(C)CCCC(=O)[O-])[C@@H]1C ZINC000422921903 380303540 /nfs/dbraw/zinc/30/35/40/380303540.db2.gz PJXVQBLZTACPED-ZJUUUORDSA-N -1 0 314.338 -0.280 20 0 DBADRM COCCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC000422880049 380303828 /nfs/dbraw/zinc/30/38/28/380303828.db2.gz NBZJLRIIDFSAHW-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](CF)C2)C1 ZINC000422931379 380303927 /nfs/dbraw/zinc/30/39/27/380303927.db2.gz XNSXMTVEEROYET-NOZJJQNGSA-N -1 0 302.302 -0.494 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N(CC(C)(C)O)C1CC1)C(=O)[O-] ZINC000422895819 380303940 /nfs/dbraw/zinc/30/39/40/380303940.db2.gz WUUVQPSXXNSPTR-SECBINFHSA-N -1 0 300.355 -0.073 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000422932053 380304901 /nfs/dbraw/zinc/30/49/01/380304901.db2.gz YOXYFKDTDSTZQI-KZTGVZKYSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[C@H]2O)C[C@H]1C(=O)[O-] ZINC000422903795 380305580 /nfs/dbraw/zinc/30/55/80/380305580.db2.gz WNVNMLZYAJDCDX-WRWGMCAJSA-N -1 0 312.366 -0.215 20 0 DBADRM Cc1nc(CNC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])no1 ZINC000424512190 380395675 /nfs/dbraw/zinc/39/56/75/380395675.db2.gz ZQASQWHGDBTMKA-VIFPVBQESA-N -1 0 312.326 -0.143 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C)C1=O)C(=O)[O-] ZINC000424511914 380395695 /nfs/dbraw/zinc/39/56/95/380395695.db2.gz ZIVDLICVFPRTBJ-VHSXEESVSA-N -1 0 313.354 -0.804 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)CCO1 ZINC000626786999 380367009 /nfs/dbraw/zinc/36/70/09/380367009.db2.gz HTYJVNDCZULIGU-MNOVXSKESA-N -1 0 311.338 -0.365 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612169510 380375964 /nfs/dbraw/zinc/37/59/64/380375964.db2.gz JYWHOOLCOHWENN-GFCCVEGCSA-N -1 0 314.363 -0.118 20 0 DBADRM O=C([O-])CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000533184095 380383915 /nfs/dbraw/zinc/38/39/15/380383915.db2.gz DPJMDKAKOBWIJL-UHFFFAOYSA-N -1 0 304.262 -0.354 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@H](C)C[S@@](C)=O)C(=O)[O-] ZINC000424491222 380390216 /nfs/dbraw/zinc/39/02/16/380390216.db2.gz XHXZLYFGGDTTNQ-FDXSBTRWSA-N -1 0 320.411 -0.267 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H](O)C2CC2)c1 ZINC000612350996 380393709 /nfs/dbraw/zinc/39/37/09/380393709.db2.gz SAHSZIVJFXVOGB-NSHDSACASA-N -1 0 300.336 -0.460 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)NCCCC(=O)[O-])CCO1 ZINC000626765762 380351090 /nfs/dbraw/zinc/35/10/90/380351090.db2.gz LWGQSOWBLMZSRM-SECBINFHSA-N -1 0 302.331 -0.809 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)NCCC(=O)[O-])C1 ZINC000626766766 380351190 /nfs/dbraw/zinc/35/11/90/380351190.db2.gz QLWCLFYVJJPGMM-VIFPVBQESA-N -1 0 307.372 -0.568 20 0 DBADRM O=C([O-])CCCCNC(=O)N1CCN(c2nccnn2)CC1 ZINC000626767749 380352568 /nfs/dbraw/zinc/35/25/68/380352568.db2.gz UTDICGRTVPHGAJ-UHFFFAOYSA-N -1 0 308.342 -0.042 20 0 DBADRM CCC[C@H](C(=O)N[C@@H](CCC)c1nnn[n-]1)S(N)(=O)=O ZINC000612061407 380356244 /nfs/dbraw/zinc/35/62/44/380356244.db2.gz PFLGYHPZVBMVCG-JGVFFNPUSA-N -1 0 304.376 -0.386 20 0 DBADRM CCC[C@H](NC(=O)c1cnn(C[C@H](O)CO)c1)c1nnn[n-]1 ZINC000612060077 380357046 /nfs/dbraw/zinc/35/70/46/380357046.db2.gz HIFCHDGOOQJRES-UWVGGRQHSA-N -1 0 309.330 -0.979 20 0 DBADRM CCC[C@H](NC(=O)[C@H]1CCN=C2C1=NNN2C)c1nnn[n-]1 ZINC000612062316 380358364 /nfs/dbraw/zinc/35/83/64/380358364.db2.gz VFOMGYYRXMXLFG-YUMQZZPRSA-N -1 0 305.346 -0.619 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CCN(c3nccnn3)CC2)CCC1 ZINC000626772531 380358760 /nfs/dbraw/zinc/35/87/60/380358760.db2.gz CRTGUWVPDKDGQV-UHFFFAOYSA-N -1 0 320.353 -0.042 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCc1nccn1C)C(=O)[O-] ZINC000424513653 380395556 /nfs/dbraw/zinc/39/55/56/380395556.db2.gz DOPYLAHJORPJRK-JTQLQIEISA-N -1 0 310.354 -0.101 20 0 DBADRM CC(C)(CO)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612697053 380433338 /nfs/dbraw/zinc/43/33/38/380433338.db2.gz YQWBCRFJPBBAFQ-UHFFFAOYSA-N -1 0 302.352 -0.212 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000628522201 380445117 /nfs/dbraw/zinc/44/51/17/380445117.db2.gz HAKWMWIACYDEJO-QWRGUYRKSA-N -1 0 300.336 -0.764 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000612816485 380447252 /nfs/dbraw/zinc/44/72/52/380447252.db2.gz GZVFRXHADCQNFR-RKDXNWHRSA-N -1 0 316.387 -0.767 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N(CCO)C2CC2)c1 ZINC000612458523 380403385 /nfs/dbraw/zinc/40/33/85/380403385.db2.gz MSNWNNNNDWGGCX-UHFFFAOYSA-N -1 0 300.336 -0.364 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@@H]1O ZINC000613188422 380507885 /nfs/dbraw/zinc/50/78/85/380507885.db2.gz UQGBNNMIOUJJDM-CPCISQLKSA-N -1 0 300.336 -0.508 20 0 DBADRM Cn1ncc2c1ncnc2N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000092616954 380461017 /nfs/dbraw/zinc/46/10/17/380461017.db2.gz ZBRIDFMKPSRQGQ-UHFFFAOYSA-N -1 0 315.341 -0.903 20 0 DBADRM CCS(=O)(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000092643031 380462284 /nfs/dbraw/zinc/46/22/84/380462284.db2.gz CVRCDNIZOLUFKQ-UHFFFAOYSA-N -1 0 303.388 -0.244 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])c1 ZINC000629337641 380630736 /nfs/dbraw/zinc/63/07/36/380630736.db2.gz AZJPNGOWCVILNB-ZJUUUORDSA-N -1 0 317.367 -0.032 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCOC1)NS(=O)(=O)N1CCOCC1 ZINC000629339301 380631628 /nfs/dbraw/zinc/63/16/28/380631628.db2.gz SPHMEVPGEBYSQS-QWRGUYRKSA-N -1 0 322.383 -0.577 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000629364197 380635572 /nfs/dbraw/zinc/63/55/72/380635572.db2.gz WGDPHNLECOFUCV-LLVKDONJSA-N -1 0 304.412 -0.098 20 0 DBADRM CNS(=O)(=O)C=C([O-])Nc1nc(C2CCOCC2)ns1 ZINC000629101893 380594322 /nfs/dbraw/zinc/59/43/22/380594322.db2.gz VTAZNWXRUXNZBS-UHFFFAOYSA-N -1 0 320.396 -0.658 20 0 DBADRM CO[C@H](CS(=O)(=O)NC[C@H](O)C(=O)[O-])c1ccc(F)cc1 ZINC000629293750 380623736 /nfs/dbraw/zinc/62/37/36/380623736.db2.gz OSEMFGHKOJVZOY-WDEREUQCSA-N -1 0 321.326 -0.122 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2c[nH]c(C)n2)[C@@](C)(C(=O)[O-])C1 ZINC000629310478 380625287 /nfs/dbraw/zinc/62/52/87/380625287.db2.gz SPWVMJYSXKGDTF-GZMMTYOYSA-N -1 0 303.340 -0.029 20 0 DBADRM C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000629314205 380625357 /nfs/dbraw/zinc/62/53/57/380625357.db2.gz RIIUTMGLSWHBMX-APPZFPTMSA-N -1 0 301.324 -0.228 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2c(C)cnn2C)[C@@](C)(C(=O)[O-])C1 ZINC000629307682 380625464 /nfs/dbraw/zinc/62/54/64/380625464.db2.gz FTCAODLTHAESMU-JOYOIKCWSA-N -1 0 317.367 -0.019 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)NCc2ncc(C(=O)[O-])cn2)C1 ZINC000629313857 380625531 /nfs/dbraw/zinc/62/55/31/380625531.db2.gz JYIWOQYTTTVJRJ-QMMMGPOBSA-N -1 0 300.340 -0.149 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2ccnn2C)[C@@](C)(C(=O)[O-])C1 ZINC000629306984 380625689 /nfs/dbraw/zinc/62/56/89/380625689.db2.gz AYFMOAJMHRIGEK-LDYMZIIASA-N -1 0 303.340 -0.327 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2cn(C)cn2)[C@@](C)(C(=O)[O-])C1 ZINC000629310405 380625836 /nfs/dbraw/zinc/62/58/36/380625836.db2.gz RPMNJONTOSHHAE-LDYMZIIASA-N -1 0 303.340 -0.327 20 0 DBADRM COCCOCCS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC000629308771 380626843 /nfs/dbraw/zinc/62/68/43/380626843.db2.gz JZAMMGKLRMHWMG-QMMMGPOBSA-N -1 0 317.310 -0.227 20 0 DBADRM O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CCOCC1 ZINC000629309030 380626926 /nfs/dbraw/zinc/62/69/26/380626926.db2.gz QWKXSZHEOJPLIL-ZETCQYMHSA-N -1 0 300.283 -0.642 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2c[nH]nc2C)[C@](C)(C(=O)[O-])C1 ZINC000629309937 380627449 /nfs/dbraw/zinc/62/74/49/380627449.db2.gz NREVVPRAPIUAIQ-KWQFWETISA-N -1 0 303.340 -0.029 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2c[nH]nc2C)[C@@](C)(C(=O)[O-])C1 ZINC000629309938 380627498 /nfs/dbraw/zinc/62/74/98/380627498.db2.gz NREVVPRAPIUAIQ-LDYMZIIASA-N -1 0 303.340 -0.029 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CN1Cc2ccccc2C1=O ZINC000640453368 380667069 /nfs/dbraw/zinc/66/70/69/380667069.db2.gz ZRBRIZONHHPUCU-UHFFFAOYSA-N -1 0 302.290 -0.023 20 0 DBADRM CSc1nc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc(=O)[nH]1 ZINC000640656505 380679866 /nfs/dbraw/zinc/67/98/66/380679866.db2.gz QPDDXHMKYBRTBR-NSHDSACASA-N -1 0 323.422 -0.090 20 0 DBADRM CO[C@H]1C[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000629691749 380706675 /nfs/dbraw/zinc/70/66/75/380706675.db2.gz ZCLPPKLUBMJAKP-ZKCHVHJHSA-N -1 0 300.336 -0.053 20 0 DBADRM CC(C)N1CC[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C1=O ZINC000195256160 380715262 /nfs/dbraw/zinc/71/52/62/380715262.db2.gz PEBDDLKKDATYJM-ZETCQYMHSA-N -1 0 303.306 -0.018 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CCO)CC[C@@H]1C(=O)[O-] ZINC000629778332 380717413 /nfs/dbraw/zinc/71/74/13/380717413.db2.gz AAAPDQQQEANXSZ-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1C(=O)[O-] ZINC000629776317 380718333 /nfs/dbraw/zinc/71/83/33/380718333.db2.gz MGSPLQAZEAAFEK-WYUUTHIRSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCn3cncc3C2)CC[C@@H]1C(=O)[O-] ZINC000629780110 380718534 /nfs/dbraw/zinc/71/85/34/380718534.db2.gz DPIYFZGCBLTEGV-PWSUYJOCSA-N -1 0 320.349 -0.206 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000629777506 380718742 /nfs/dbraw/zinc/71/87/42/380718742.db2.gz SHWYSFDGDCFXEX-PGUXBMHVSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2cc[nH]n2)CC[C@H]1C(=O)[O-] ZINC000629777608 380718753 /nfs/dbraw/zinc/71/87/53/380718753.db2.gz QJHZVRFFJUFVBD-GXSJLCMTSA-N -1 0 308.338 -0.063 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000629778326 380719109 /nfs/dbraw/zinc/71/91/09/380719109.db2.gz ZZWPSYGTXSRTCK-GHMZBOCLSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)O)CC[C@H]1C(=O)[O-] ZINC000629777064 380719161 /nfs/dbraw/zinc/71/91/61/380719161.db2.gz PCWWWJITYWCYAC-NXEZZACHSA-N -1 0 300.355 -0.215 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CCF)C2)C1 ZINC000629781396 380719850 /nfs/dbraw/zinc/71/98/50/380719850.db2.gz LZOUXTYFKRJIII-UWVGGRQHSA-N -1 0 302.302 -0.494 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C2CC2)CC[C@@H]1C(=O)[O-] ZINC000629781440 380719969 /nfs/dbraw/zinc/71/99/69/380719969.db2.gz NVDBUIOPKGRJMX-ADEWGFFLSA-N -1 0 312.366 -0.215 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](CCF)C2)C1 ZINC000629781397 380719993 /nfs/dbraw/zinc/71/99/93/380719993.db2.gz LZOUXTYFKRJIII-VHSXEESVSA-N -1 0 302.302 -0.494 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)C[C@H]1C(=O)[O-] ZINC000629783137 380720939 /nfs/dbraw/zinc/72/09/39/380720939.db2.gz FCXAQFKAZZMCPT-NZEXEKPDSA-N -1 0 324.377 -0.073 20 0 DBADRM C[C@@H]1CC(F)(F)CCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000629783325 380720971 /nfs/dbraw/zinc/72/09/71/380720971.db2.gz RGARRKRAZLGFPA-RKDXNWHRSA-N -1 0 320.292 -0.055 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1)C(=O)[O-] ZINC000629782601 380721007 /nfs/dbraw/zinc/72/10/07/380721007.db2.gz YCKZZANDHIHNIL-ZIBATOQPSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CC2(O)CCC2)CC[C@@H]1C(=O)[O-] ZINC000629782173 380721508 /nfs/dbraw/zinc/72/15/08/380721508.db2.gz XANSHTWVKSAUKE-MNOVXSKESA-N -1 0 312.366 -0.071 20 0 DBADRM CC(=O)NC[C@H]1CCCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000629863230 380743759 /nfs/dbraw/zinc/74/37/59/380743759.db2.gz WHHORAHNRJXKGX-SNVBAGLBSA-N -1 0 308.338 -0.383 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000251104304 380984560 /nfs/dbraw/zinc/98/45/60/380984560.db2.gz KHVIIZJXPJUMQB-MXWKQRLJSA-N -1 0 304.368 -0.109 20 0 DBADRM CCCNC(=O)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000623532177 381016973 /nfs/dbraw/zinc/01/69/73/381016973.db2.gz GCGWKTFOFZZVFI-UHFFFAOYSA-N -1 0 314.367 -0.291 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2)cc1C(=O)[O-] ZINC000312300394 381050196 /nfs/dbraw/zinc/05/01/96/381050196.db2.gz CLLNTQURCAEQAJ-SSDOTTSWSA-N -1 0 301.324 -0.768 20 0 DBADRM C[C@@H](O)C[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613419070 381075033 /nfs/dbraw/zinc/07/50/33/381075033.db2.gz NTKUEOHPJDQOOH-HTQZYQBOSA-N -1 0 302.352 -0.071 20 0 DBADRM CC(=O)c1ccc([O-])c(NC(=O)CNS(=O)(=O)N(C)C)c1 ZINC000613285722 381039963 /nfs/dbraw/zinc/03/99/63/381039963.db2.gz XJMZTSYHBPNVSY-UHFFFAOYSA-N -1 0 315.351 -0.071 20 0 DBADRM CO[C@H](CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)[O-] ZINC000227269770 381083501 /nfs/dbraw/zinc/08/35/01/381083501.db2.gz LANOEZUENLUKMN-RWYTXXIDSA-N -1 0 302.352 -0.344 20 0 DBADRM CC(C)C[C@H](CNC(=O)NCCS(=O)(=O)N(C)C)C(=O)[O-] ZINC000231021524 381103762 /nfs/dbraw/zinc/10/37/62/381103762.db2.gz LNPLLZFCJITHCL-SNVBAGLBSA-N -1 0 323.415 -0.076 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(N)=O ZINC000230952763 381104819 /nfs/dbraw/zinc/10/48/19/381104819.db2.gz JGPYCNHVGGEPBW-SECBINFHSA-N -1 0 303.340 -0.489 20 0 DBADRM CCC(CC)(CNC(=O)NCCS(=O)(=O)NC)C(=O)[O-] ZINC000231018389 381104823 /nfs/dbraw/zinc/10/48/23/381104823.db2.gz YWVAXYDVHPTTBY-UHFFFAOYSA-N -1 0 309.388 -0.274 20 0 DBADRM CCCCN(CC(N)=O)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000053503242 381105079 /nfs/dbraw/zinc/10/50/79/381105079.db2.gz GACJDXQARASSJL-UHFFFAOYSA-N -1 0 319.321 -0.249 20 0 DBADRM COC(=O)[C@@H](O)C[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000226551682 381077888 /nfs/dbraw/zinc/07/78/88/381077888.db2.gz UJLASUOXTUMELQ-QMMMGPOBSA-N -1 0 313.253 -0.084 20 0 DBADRM CC(C)(O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613640315 381159967 /nfs/dbraw/zinc/15/99/67/381159967.db2.gz FEZKAFFCKUZNSA-UHFFFAOYSA-N -1 0 302.352 -0.070 20 0 DBADRM CCC[C@H](C(=O)N(C)C[C@H](C)c1nnn[n-]1)S(N)(=O)=O ZINC000613475273 381128904 /nfs/dbraw/zinc/12/89/04/381128904.db2.gz OXIIDGLAEKPXEV-JGVFFNPUSA-N -1 0 304.376 -0.781 20 0 DBADRM CC(C)(CC(N)=O)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613491862 381133752 /nfs/dbraw/zinc/13/37/52/381133752.db2.gz ARCAECLUKNGRBO-UHFFFAOYSA-N -1 0 315.351 -0.577 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])[C@@H]1CO ZINC000613834926 381198341 /nfs/dbraw/zinc/19/83/41/381198341.db2.gz SLQNRMTYYCIGCY-LDYMZIIASA-N -1 0 314.363 -0.118 20 0 DBADRM C[C@@H]1C[C@H](O)CN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613874163 381201452 /nfs/dbraw/zinc/20/14/52/381201452.db2.gz KKYTYOTXPBGLNK-SFYZADRCSA-N -1 0 300.336 -0.365 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000614170446 381231233 /nfs/dbraw/zinc/23/12/33/381231233.db2.gz HJLSQEREXKBNAD-OAHLLOKOSA-N -1 0 316.317 -0.521 20 0 DBADRM COc1ccc2ncc(C(=O)NCCc3nc(=O)o[n-]3)n2n1 ZINC000614170278 381232573 /nfs/dbraw/zinc/23/25/73/381232573.db2.gz CZSBFTUOSRKZJO-UHFFFAOYSA-N -1 0 304.266 -0.613 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)C(=O)[O-] ZINC000614337928 381245633 /nfs/dbraw/zinc/24/56/33/381245633.db2.gz ATWABRAHPLYUBZ-IUCAKERBSA-N -1 0 309.340 -0.509 20 0 DBADRM O=C(N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)C1(n2cnnn2)CC1 ZINC000614517642 381270012 /nfs/dbraw/zinc/27/00/12/381270012.db2.gz AZPZRWHWWMXDRR-QMMMGPOBSA-N -1 0 304.314 -0.608 20 0 DBADRM O=C([O-])[C@H]1c2ccoc2CCN1S(=O)(=O)N1CCOCC1 ZINC000530140154 381291916 /nfs/dbraw/zinc/29/19/16/381291916.db2.gz FMANZRVHMDVVLA-LLVKDONJSA-N -1 0 316.335 -0.160 20 0 DBADRM CCn1nncc1CNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000530148336 381294106 /nfs/dbraw/zinc/29/41/06/381294106.db2.gz DYUTXHPUHSGECA-SECBINFHSA-N -1 0 303.344 -0.819 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CC[C@@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC000530150038 381294305 /nfs/dbraw/zinc/29/43/05/381294305.db2.gz LMOYPLYBHKBGRW-VWYCJHECSA-N -1 0 307.368 -0.083 20 0 DBADRM CO[C@@H]1CC[C@@H](NS(=O)(=O)c2c(C(=O)[O-])cnn2C)C1 ZINC000530148498 381294633 /nfs/dbraw/zinc/29/46/33/381294633.db2.gz GYIJZUYRBAXNQQ-HTQZYQBOSA-N -1 0 303.340 -0.036 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)[C@@H](C)CO1 ZINC000530148543 381294716 /nfs/dbraw/zinc/29/47/16/381294716.db2.gz GPBVIIWTGZUEFN-YUMQZZPRSA-N -1 0 303.340 -0.084 20 0 DBADRM CCn1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cn1 ZINC000530153244 381295895 /nfs/dbraw/zinc/29/58/95/381295895.db2.gz VXJPURWEADJNLU-SCZZXKLOSA-N -1 0 303.340 -0.234 20 0 DBADRM CCn1ncc(CNS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000530153469 381295934 /nfs/dbraw/zinc/29/59/34/381295934.db2.gz VSLWYBCAUOIDNJ-VIFPVBQESA-N -1 0 317.371 -0.571 20 0 DBADRM CCC1(O)CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000614546649 381272695 /nfs/dbraw/zinc/27/26/95/381272695.db2.gz JIIIKWVNTHZCRV-UHFFFAOYSA-N -1 0 300.336 -0.364 20 0 DBADRM COCCOCCS(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000538091530 381322804 /nfs/dbraw/zinc/32/28/04/381322804.db2.gz GMHXJRRAXIDDIV-UHFFFAOYSA-N -1 0 307.328 -0.477 20 0 DBADRM C[C@H]([C@H](C)N(C)C(=O)Cn1cc(C(=O)[O-])cn1)S(C)(=O)=O ZINC000630118349 381324391 /nfs/dbraw/zinc/32/43/91/381324391.db2.gz HTWOKXZQRPLEMP-DTWKUNHWSA-N -1 0 317.367 -0.139 20 0 DBADRM C[C@@H](NC(=O)Cn1cc(C(=O)[O-])cn1)C(=O)NCc1ccco1 ZINC000630113082 381324398 /nfs/dbraw/zinc/32/43/98/381324398.db2.gz BZBUOCCZFMITOG-SECBINFHSA-N -1 0 320.305 -0.005 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1 ZINC000630118177 381324627 /nfs/dbraw/zinc/32/46/27/381324627.db2.gz GQYZXSQTMIQRSN-XKNYDFJKSA-N -1 0 307.368 -0.196 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(C(=O)[O-])nn1C ZINC000630117854 381324654 /nfs/dbraw/zinc/32/46/54/381324654.db2.gz BTIBQQUVVPLOHY-ZETCQYMHSA-N -1 0 303.340 -0.329 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000630119506 381324734 /nfs/dbraw/zinc/32/47/34/381324734.db2.gz LDIICBJGWJCUDO-JTQLQIEISA-N -1 0 313.335 -0.457 20 0 DBADRM CCC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(N)=O ZINC000614796341 381340868 /nfs/dbraw/zinc/34/08/68/381340868.db2.gz WZQFFLHDKQZLIL-VIFPVBQESA-N -1 0 315.351 -0.577 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCC[C@H]1C(=O)OC)[C@H](C)O ZINC000530379963 381307314 /nfs/dbraw/zinc/30/73/14/381307314.db2.gz YBXHFYLZYGCPIB-QCLAVDOMSA-N -1 0 323.367 -0.830 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCCn2ccnc2)CC[C@@H]1C(=O)[O-] ZINC000627260525 381318474 /nfs/dbraw/zinc/31/84/74/381318474.db2.gz JVKVUJBUZOIHLQ-RYUDHWBXSA-N -1 0 322.365 -0.041 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)c1ccnc2c1nnn2C ZINC000630149245 381349419 /nfs/dbraw/zinc/34/94/19/381349419.db2.gz SJKHOCHHPYEHEO-ZDUSSCGKSA-N -1 0 307.310 -0.027 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC000630165026 381351113 /nfs/dbraw/zinc/35/11/13/381351113.db2.gz MZFLJVSBRNEGRM-WDEREUQCSA-N -1 0 306.322 -0.149 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)Cc1cnn(C)c1 ZINC000630158820 381351290 /nfs/dbraw/zinc/35/12/90/381351290.db2.gz VNHLOFKCKBQYQP-GFCCVEGCSA-N -1 0 322.365 -0.256 20 0 DBADRM O=C(CN1CSCC1=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000630280006 381378621 /nfs/dbraw/zinc/37/86/21/381378621.db2.gz PXSZVVGAPOFAEE-ZJUUUORDSA-N -1 0 316.379 -0.095 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC000630227297 381366168 /nfs/dbraw/zinc/36/61/68/381366168.db2.gz KUPXGCPUHDPJON-JTQLQIEISA-N -1 0 318.395 -0.429 20 0 DBADRM O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000540424849 381366214 /nfs/dbraw/zinc/36/62/14/381366214.db2.gz RUOSIYWZAQUUAN-NXEZZACHSA-N -1 0 304.354 -0.083 20 0 DBADRM O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000540424851 381366331 /nfs/dbraw/zinc/36/63/31/381366331.db2.gz RUOSIYWZAQUUAN-VHSXEESVSA-N -1 0 304.354 -0.083 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)C1=O ZINC000540423001 381366669 /nfs/dbraw/zinc/36/66/69/381366669.db2.gz GWZKNAKXBUODNM-QMMMGPOBSA-N -1 0 321.341 -0.764 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN(c3nccnn3)CC2)nc1 ZINC000630230109 381366946 /nfs/dbraw/zinc/36/69/46/381366946.db2.gz DEGLCPDJHHXIIC-UHFFFAOYSA-N -1 0 314.305 -0.073 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N1CCc2occc2[C@@H]1C(=O)[O-] ZINC000630237147 381368563 /nfs/dbraw/zinc/36/85/63/381368563.db2.gz XCSXPHWVNMKFCN-CYBMUJFWSA-N -1 0 323.305 -0.958 20 0 DBADRM CC(C)[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000037432926 381369626 /nfs/dbraw/zinc/36/96/26/381369626.db2.gz AUUFTCXCNDOVOU-VHSXEESVSA-N -1 0 306.384 -0.117 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H](O)C1CCOCC1)[C@@H](C)C(=O)[O-] ZINC000540966295 381372566 /nfs/dbraw/zinc/37/25/66/381372566.db2.gz DSMXUKQLRJBJHN-JOYOIKCWSA-N -1 0 316.354 -0.788 20 0 DBADRM O=C(NCCN1CCNC(=O)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000540970493 381373805 /nfs/dbraw/zinc/37/38/05/381373805.db2.gz QRAWWYXQVBULEI-UHFFFAOYSA-N -1 0 315.333 -0.915 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-] ZINC000540983727 381374709 /nfs/dbraw/zinc/37/47/09/381374709.db2.gz VHZJLMKONGUJCB-WDEREUQCSA-N -1 0 318.351 -0.017 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000541005396 381375195 /nfs/dbraw/zinc/37/51/95/381375195.db2.gz RGBBLXDVFLLVQO-ZJUUUORDSA-N -1 0 323.367 -0.167 20 0 DBADRM O=C([O-])COCCNC(=O)CNS(=O)(=O)c1cccs1 ZINC000630262777 381376589 /nfs/dbraw/zinc/37/65/89/381376589.db2.gz QMUXEIAKYXFMDM-UHFFFAOYSA-N -1 0 322.364 -0.756 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CC(=O)NCC(F)(F)F)C1 ZINC000630254304 381376959 /nfs/dbraw/zinc/37/69/59/381376959.db2.gz QCQOCVMKFSIIDX-JTQLQIEISA-N -1 0 312.244 -0.243 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)NCCOCC(=O)[O-])c1 ZINC000630262179 381377551 /nfs/dbraw/zinc/37/75/51/381377551.db2.gz LGRZOHDMGZXKPU-UHFFFAOYSA-N -1 0 316.335 -0.574 20 0 DBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000630441699 381416984 /nfs/dbraw/zinc/41/69/84/381416984.db2.gz QQLADFJLMUACOU-PSASIEDQSA-N -1 0 302.352 -0.514 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1=O ZINC000630441964 381417537 /nfs/dbraw/zinc/41/75/37/381417537.db2.gz TURGTSDYWSHOEX-JTQLQIEISA-N -1 0 304.368 -0.266 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N[C@H]2CCN(C3CCC3)C2=O)c1 ZINC000630306617 381383522 /nfs/dbraw/zinc/38/35/22/381383522.db2.gz VDPMTRBXDULRBQ-NSHDSACASA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCN2CCCS2(=O)=O)O1 ZINC000630304984 381384296 /nfs/dbraw/zinc/38/42/96/381384296.db2.gz DFBUTIURXZWSAU-ZJUUUORDSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])C1CC(C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000630306482 381384361 /nfs/dbraw/zinc/38/43/61/381384361.db2.gz PTDGCQQXQVXFTC-UHFFFAOYSA-N -1 0 304.368 -0.361 20 0 DBADRM CO[C@@H]1CN(C(=O)CN2CSCC2=O)[C@](C)(C(=O)[O-])C1 ZINC000630311793 381387696 /nfs/dbraw/zinc/38/76/96/381387696.db2.gz SJALRVZTMZFGKA-UFBFGSQYSA-N -1 0 302.352 -0.390 20 0 DBADRM CO[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)[C@@](C)(C(=O)[O-])C1 ZINC000630313143 381387985 /nfs/dbraw/zinc/38/79/85/381387985.db2.gz WVMGPCBLBCYNJW-LKFCYVNXSA-N -1 0 307.306 -0.115 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)[C@](C)(C(=O)[O-])C1 ZINC000630318708 381388339 /nfs/dbraw/zinc/38/83/39/381388339.db2.gz YFOYKSNFLJMJEW-AUTRQRHGSA-N -1 0 305.352 -0.346 20 0 DBADRM O=C(CN1CSCC1=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC000630334684 381389499 /nfs/dbraw/zinc/38/94/99/381389499.db2.gz AKKWXROUQZZNIM-LBPRGKRZSA-N -1 0 302.352 -0.483 20 0 DBADRM CC(C)(C(=O)NC[C@]1(C(=O)[O-])CCCOC1)S(C)(=O)=O ZINC000630338399 381389758 /nfs/dbraw/zinc/38/97/58/381389758.db2.gz FKGSIPZJWDNEKP-GFCCVEGCSA-N -1 0 307.368 -0.193 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000630441403 381416227 /nfs/dbraw/zinc/41/62/27/381416227.db2.gz LQADGBDVYLBNKT-VHSXEESVSA-N -1 0 302.352 -0.372 20 0 DBADRM O=C(CN1CCCS1(=O)=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000630342045 381389949 /nfs/dbraw/zinc/38/99/49/381389949.db2.gz UVTHQDWIEHZZHG-GFCCVEGCSA-N -1 0 320.367 -0.981 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)[C@](C)(C(=O)[O-])C1 ZINC000630315938 381390088 /nfs/dbraw/zinc/39/00/88/381390088.db2.gz ZNAKRGPDWTYWJL-AUTRQRHGSA-N -1 0 305.352 -0.488 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC000630336223 381390231 /nfs/dbraw/zinc/39/02/31/381390231.db2.gz MJMKHDFCEBCHLV-LBPRGKRZSA-N -1 0 307.368 -0.193 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000627267565 381394069 /nfs/dbraw/zinc/39/40/69/381394069.db2.gz PVGLHCXHXJSNED-QWRGUYRKSA-N -1 0 316.354 -0.665 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc2nnnn2c1)[C@@H](C)C(=O)[O-] ZINC000543752337 381416706 /nfs/dbraw/zinc/41/67/06/381416706.db2.gz LZYJDSNFMDOSQP-QMMMGPOBSA-N -1 0 320.309 -0.824 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000544686041 381427779 /nfs/dbraw/zinc/42/77/79/381427779.db2.gz QAMMNPJRAZZMLL-QMMMGPOBSA-N -1 0 306.326 -0.362 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000627269603 381446237 /nfs/dbraw/zinc/44/62/37/381446237.db2.gz VAKHMLSIILGPEI-AXFHLTTASA-N -1 0 323.353 -0.648 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1=O ZINC000630443269 381417617 /nfs/dbraw/zinc/41/76/17/381417617.db2.gz UAQVFTWRAYDJTB-NXEZZACHSA-N -1 0 304.368 -0.266 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1=O ZINC000630447098 381418552 /nfs/dbraw/zinc/41/85/52/381418552.db2.gz OLUDKQPIFRJFIK-GMTAPVOTSA-N -1 0 318.395 -0.020 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000630445952 381419240 /nfs/dbraw/zinc/41/92/40/381419240.db2.gz NBKGOOVSJCDXSC-NXEZZACHSA-N -1 0 304.368 -0.126 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1=O ZINC000630447100 381419389 /nfs/dbraw/zinc/41/93/89/381419389.db2.gz OLUDKQPIFRJFIK-HBNTYKKESA-N -1 0 318.395 -0.020 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(c2ncc(C(=O)[O-])s2)CC1 ZINC000630455599 381419504 /nfs/dbraw/zinc/41/95/04/381419504.db2.gz HVJMGYWCFOEUSC-UHFFFAOYSA-N -1 0 320.396 -0.230 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1=O ZINC000630445742 381419739 /nfs/dbraw/zinc/41/97/39/381419739.db2.gz FEVPSEVLGJMVBS-CABZTGNLSA-N -1 0 304.368 -0.124 20 0 DBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000547548901 381484960 /nfs/dbraw/zinc/48/49/60/381484960.db2.gz USAACSGWCGEGID-KCJUWKMLSA-N -1 0 316.383 -0.030 20 0 DBADRM COCCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])N1c1cnn(C)c1 ZINC000630650785 381471274 /nfs/dbraw/zinc/47/12/74/381471274.db2.gz QBRBFSRWFDSTHV-VXGBXAGGSA-N -1 0 310.354 -0.005 20 0 DBADRM COCc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc1 ZINC000547546064 381485188 /nfs/dbraw/zinc/48/51/88/381485188.db2.gz ORPUYXJMEPEULG-LLVKDONJSA-N -1 0 303.336 -0.053 20 0 DBADRM COc1cc(C#N)ccc1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC000547546954 381485256 /nfs/dbraw/zinc/48/52/56/381485256.db2.gz CPMCDVICTOXBJB-VIFPVBQESA-N -1 0 314.319 -0.319 20 0 DBADRM COCc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc1 ZINC000547546543 381484517 /nfs/dbraw/zinc/48/45/17/381484517.db2.gz BHLODSYCPPJNFV-NSHDSACASA-N -1 0 303.336 -0.053 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000547550650 381485538 /nfs/dbraw/zinc/48/55/38/381485538.db2.gz YBRSUILWPFJGMJ-ZETCQYMHSA-N -1 0 304.328 -0.929 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000547546852 381484821 /nfs/dbraw/zinc/48/48/21/381484821.db2.gz AVZBLNHSQXWMKZ-PSASIEDQSA-N -1 0 302.356 -0.276 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547548161 381484841 /nfs/dbraw/zinc/48/48/41/381484841.db2.gz FDAPUVBASRQITG-VGMNWLOBSA-N -1 0 309.340 -0.795 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)N2CC[C@H](C)C2)C(=O)[O-])c1 ZINC000547558111 381484850 /nfs/dbraw/zinc/48/48/50/381484850.db2.gz SPYLRSFNXUQGJL-ONGXEEELSA-N -1 0 316.383 -0.179 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N(C)[C@@H](COC)C(=O)[O-] ZINC000547916551 381503892 /nfs/dbraw/zinc/50/38/92/381503892.db2.gz RDZHEARYYCWOES-VIFPVBQESA-N -1 0 311.356 -0.309 20 0 DBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000547930981 381504068 /nfs/dbraw/zinc/50/40/68/381504068.db2.gz CSTWCJJGMOSYOU-QFHRKFJASA-N -1 0 324.424 -0.521 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000547921612 381504315 /nfs/dbraw/zinc/50/43/15/381504315.db2.gz QBLYZQQXFXMXLT-NXEZZACHSA-N -1 0 321.399 -0.531 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000547925190 381504391 /nfs/dbraw/zinc/50/43/91/381504391.db2.gz ROJWKDUZUBUDRQ-YIZRAAEISA-N -1 0 308.356 -0.998 20 0 DBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000547913675 381504766 /nfs/dbraw/zinc/50/47/66/381504766.db2.gz RJFJRQDVDOEFQG-CBAPKCEASA-N -1 0 307.372 -0.730 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1cnn(CC)c1)C(=O)[O-] ZINC000547937467 381505627 /nfs/dbraw/zinc/50/56/27/381505627.db2.gz GWWUNSSVZLHVLQ-VHSXEESVSA-N -1 0 305.356 -0.205 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)cn1 ZINC000548200939 381517896 /nfs/dbraw/zinc/51/78/96/381517896.db2.gz YEHYIDGFSJWNCZ-SNVBAGLBSA-N -1 0 313.339 -0.259 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1ccc2c(c1)ncn2C)C(=O)[O-] ZINC000548223263 381519215 /nfs/dbraw/zinc/51/92/15/381519215.db2.gz NIUPULMVBYQYCI-LLVKDONJSA-N -1 0 313.335 -0.049 20 0 DBADRM CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)N(C)CCC(=O)OC ZINC000548235068 381521166 /nfs/dbraw/zinc/52/11/66/381521166.db2.gz KHKBVWFTJGZNLZ-VIFPVBQESA-N -1 0 310.372 -0.231 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)N1CC[C@H](C)C1)C(=O)[O-] ZINC000548203989 381519475 /nfs/dbraw/zinc/51/94/75/381519475.db2.gz XYGIUTIHEFROSR-IUCAKERBSA-N -1 0 308.356 -0.431 20 0 DBADRM CCc1oc(C(=O)OC)cc1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000547552628 381485649 /nfs/dbraw/zinc/48/56/49/381485649.db2.gz HSSYOJTZSWLVDW-ZCFIWIBFSA-N -1 0 321.307 -0.648 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@H](C(=O)[O-])C1CCC1 ZINC000547582062 381486578 /nfs/dbraw/zinc/48/65/78/381486578.db2.gz GXSHDJPZGMQFQR-NSHDSACASA-N -1 0 324.399 -0.331 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C1CC1 ZINC000547572155 381486629 /nfs/dbraw/zinc/48/66/29/381486629.db2.gz IDFUBWYUWBFZNK-NSHDSACASA-N -1 0 323.334 -0.196 20 0 DBADRM COC[C@@H](C)S(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000547569589 381486727 /nfs/dbraw/zinc/48/67/27/381486727.db2.gz MZTHAWUYAKNPSP-MWLCHTKSSA-N -1 0 319.383 -0.382 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000547587264 381486862 /nfs/dbraw/zinc/48/68/62/381486862.db2.gz DOSVUMGLMHFLGV-BDAKNGLRSA-N -1 0 306.340 -0.655 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)[O-] ZINC000547582344 381487007 /nfs/dbraw/zinc/48/70/07/381487007.db2.gz NGYUJCKBLYFZTI-IUCAKERBSA-N -1 0 305.356 -0.081 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]c1nc(OC)n[nH]1 ZINC000134732239 381487940 /nfs/dbraw/zinc/48/79/40/381487940.db2.gz DEHFSRSBXXPTQR-UHFFFAOYSA-N -1 0 319.324 -0.143 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)CC3CC3)C2)C1 ZINC000547599045 381488017 /nfs/dbraw/zinc/48/80/17/381488017.db2.gz XMGLIQCBXKHSCJ-GHMZBOCLSA-N -1 0 316.379 -0.266 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCC1CC1 ZINC000547605615 381488422 /nfs/dbraw/zinc/48/84/22/381488422.db2.gz CQGLHPXEIDXGJN-SECBINFHSA-N -1 0 311.381 -0.700 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)CC3CC3)C2)C1 ZINC000547599046 381488519 /nfs/dbraw/zinc/48/85/19/381488519.db2.gz XMGLIQCBXKHSCJ-MNOVXSKESA-N -1 0 316.379 -0.266 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CCOCC2)c1 ZINC000547617294 381488583 /nfs/dbraw/zinc/48/85/83/381488583.db2.gz LKRASNVDNXRVMY-JTQLQIEISA-N -1 0 317.367 -0.032 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccnn1CC)C(=O)[O-] ZINC000547614060 381488662 /nfs/dbraw/zinc/48/86/62/381488662.db2.gz DRSYTLWTVJTDRY-PSASIEDQSA-N -1 0 305.356 -0.205 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC000547615452 381488705 /nfs/dbraw/zinc/48/87/05/381488705.db2.gz RKIBQLPOFNYNPI-NXEZZACHSA-N -1 0 324.399 -0.454 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000548210698 381519884 /nfs/dbraw/zinc/51/98/84/381519884.db2.gz YLNIKTMYKHLYMU-APPZFPTMSA-N -1 0 319.339 -0.726 20 0 DBADRM Cc1cc(C)n(C[C@H](NS(=O)(=O)c2c[nH]cn2)C(=O)[O-])n1 ZINC000548207707 381519999 /nfs/dbraw/zinc/51/99/99/381519999.db2.gz REPHXAVNGBWHIT-VIFPVBQESA-N -1 0 313.339 -0.345 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)C(=O)[O-])cn1C ZINC000547865987 381499927 /nfs/dbraw/zinc/49/99/27/381499927.db2.gz FAHVQIALEXRHAB-SSDOTTSWSA-N -1 0 304.324 -0.189 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)N1CCC[C@@H]1C)C(=O)[O-] ZINC000547874951 381500396 /nfs/dbraw/zinc/50/03/96/381500396.db2.gz SCEYWIQAXYQKBO-IUCAKERBSA-N -1 0 308.356 -0.289 20 0 DBADRM CC1(C)CN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)CCO1 ZINC000547873817 381500568 /nfs/dbraw/zinc/50/05/68/381500568.db2.gz AENZECRXKFCZPW-VHSXEESVSA-N -1 0 322.383 -0.579 20 0 DBADRM CCCN(CC1CC1)S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000548206788 381520189 /nfs/dbraw/zinc/52/01/89/381520189.db2.gz CLTDWUCSUMEBQO-SNVBAGLBSA-N -1 0 321.399 -0.339 20 0 DBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC000547868781 381500718 /nfs/dbraw/zinc/50/07/18/381500718.db2.gz MKPHTZRKYNWQBP-AEJSXWLSSA-N -1 0 323.367 -0.527 20 0 DBADRM COCc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1 ZINC000547877735 381501586 /nfs/dbraw/zinc/50/15/86/381501586.db2.gz UKSOUJRQZLIWHI-JTQLQIEISA-N -1 0 316.335 -0.560 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)c2cn(C)cn2)C(=O)[O-])c1 ZINC000547880887 381502407 /nfs/dbraw/zinc/50/24/07/381502407.db2.gz AZJIPTWAFXMATP-SECBINFHSA-N -1 0 313.339 -0.643 20 0 DBADRM CC(C)CCS(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-] ZINC000547890233 381502609 /nfs/dbraw/zinc/50/26/09/381502609.db2.gz OJPZVAHWEZXHRP-NSHDSACASA-N -1 0 308.400 -0.263 20 0 DBADRM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC000547906615 381502672 /nfs/dbraw/zinc/50/26/72/381502672.db2.gz RSVVBIPVXCARNG-SECBINFHSA-N -1 0 315.413 -0.064 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)C[C@H]2CCCO2)C(=O)[O-])c1 ZINC000548537254 381536998 /nfs/dbraw/zinc/53/69/98/381536998.db2.gz PIFDRNDZBXRCQS-GHMZBOCLSA-N -1 0 317.367 -0.257 20 0 DBADRM COCCOCCS(=O)(=O)N[C@H](Cc1ccco1)C(=O)[O-] ZINC000548542769 381537208 /nfs/dbraw/zinc/53/72/08/381537208.db2.gz BFYFXJDNZJKDGT-LLVKDONJSA-N -1 0 321.351 -0.142 20 0 DBADRM CCCN(C)S(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000548557439 381537216 /nfs/dbraw/zinc/53/72/16/381537216.db2.gz ZKHSHFLTKJOZBF-NSHDSACASA-N -1 0 318.399 -0.160 20 0 DBADRM CCCCN(C)S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000548542337 381537367 /nfs/dbraw/zinc/53/73/67/381537367.db2.gz KEKHUOUWWKOFNK-JTQLQIEISA-N -1 0 321.399 -0.514 20 0 DBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000548578077 381538823 /nfs/dbraw/zinc/53/88/23/381538823.db2.gz LKDIYXDTUFUSIS-GMTAPVOTSA-N -1 0 324.399 -0.238 20 0 DBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000548580821 381538900 /nfs/dbraw/zinc/53/89/00/381538900.db2.gz DMWWFQNLLVIFOJ-UTLUCORTSA-N -1 0 320.367 -0.854 20 0 DBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000548577725 381539645 /nfs/dbraw/zinc/53/96/45/381539645.db2.gz RRFFWURYCULKIE-RKDXNWHRSA-N -1 0 311.356 -0.453 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000548571560 381540098 /nfs/dbraw/zinc/54/00/98/381540098.db2.gz PPZSORZJEOOUIZ-JTQLQIEISA-N -1 0 316.335 -0.494 20 0 DBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000548566961 381540149 /nfs/dbraw/zinc/54/01/49/381540149.db2.gz WCUBRKLCFHTSQW-JTQLQIEISA-N -1 0 324.399 -0.501 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)NCCOCC(=O)[O-])c1C ZINC000548589697 381540846 /nfs/dbraw/zinc/54/08/46/381540846.db2.gz CXHNQCVVWYUVQB-UHFFFAOYSA-N -1 0 305.356 -0.101 20 0 DBADRM CCn1cncc1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000548594244 381541656 /nfs/dbraw/zinc/54/16/56/381541656.db2.gz IMIHFWDDOVMDOK-UHFFFAOYSA-N -1 0 314.327 -0.942 20 0 DBADRM NS(=O)(=O)c1ccc(S(=O)(=O)NC2(C(=O)[O-])CC2)cc1 ZINC000548771401 381549930 /nfs/dbraw/zinc/54/99/30/381549930.db2.gz YXTNOHNXDXVVEP-UHFFFAOYSA-N -1 0 320.348 -0.771 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548770280 381550514 /nfs/dbraw/zinc/55/05/14/381550514.db2.gz WTJGBFKNGHXUDK-UWVGGRQHSA-N -1 0 317.367 -0.113 20 0 DBADRM CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)N(C)CCC(=O)OC ZINC000548235067 381521465 /nfs/dbraw/zinc/52/14/65/381521465.db2.gz KHKBVWFTJGZNLZ-SECBINFHSA-N -1 0 310.372 -0.231 20 0 DBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)N1CCCCC1 ZINC000548256987 381521703 /nfs/dbraw/zinc/52/17/03/381521703.db2.gz ODZLVPTUFLKNFS-NIVTXAMTSA-N -1 0 310.397 -0.765 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])C1CCC1 ZINC000548240063 381521979 /nfs/dbraw/zinc/52/19/79/381521979.db2.gz NPGRNKVDEQYGHI-SNVBAGLBSA-N -1 0 308.356 -0.431 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)[O-] ZINC000548266420 381524156 /nfs/dbraw/zinc/52/41/56/381524156.db2.gz UJTGQIRDSWFIJJ-VGMNWLOBSA-N -1 0 311.356 -0.671 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000548531742 381535201 /nfs/dbraw/zinc/53/52/01/381535201.db2.gz XIXLFLKACGCXND-ZETCQYMHSA-N -1 0 317.323 -0.876 20 0 DBADRM O=C([O-])[C@@H](C[C@H]1CCOC1)NS(=O)(=O)N1CCOCC1 ZINC000548528022 381536051 /nfs/dbraw/zinc/53/60/51/381536051.db2.gz UFSSBUASOBEGKW-NXEZZACHSA-N -1 0 308.356 -0.967 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)C(=O)N(C)C ZINC000627273718 381554310 /nfs/dbraw/zinc/55/43/10/381554310.db2.gz JVDCCSMNRFJNRE-UTLUCORTSA-N -1 0 313.354 -0.852 20 0 DBADRM C[C@H](O)CN1CCN(S(=O)(=O)[N-]CC(F)(F)F)[C@H](C)C1 ZINC000249529804 381604054 /nfs/dbraw/zinc/60/40/54/381604054.db2.gz JIAVPGMAOKWULT-BDAKNGLRSA-N -1 0 319.349 -0.230 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCOCC(F)F)CC[C@@H]1C(=O)[O-] ZINC000627275265 381614208 /nfs/dbraw/zinc/61/42/08/381614208.db2.gz GTTWZPNYPHQZAB-IUCAKERBSA-N -1 0 322.308 -0.047 20 0 DBADRM COC[C@H]1CCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000615295953 381616290 /nfs/dbraw/zinc/61/62/90/381616290.db2.gz ZTDLQOMZWVSICK-MRVPVSSYSA-N -1 0 300.336 -0.100 20 0 DBADRM CCOC[C@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])CCO1 ZINC000627276356 381619674 /nfs/dbraw/zinc/61/96/74/381619674.db2.gz BVVWLTHYZLXYFT-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM COC[C@@H](C(N)=O)N(C)C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000615341011 381625496 /nfs/dbraw/zinc/62/54/96/381625496.db2.gz KDADHQWALVKGPU-JTQLQIEISA-N -1 0 320.305 -0.398 20 0 DBADRM C[S@](=O)C1(CNC(=O)C(=O)NCCCC(=O)[O-])CCC1 ZINC000566243334 381647321 /nfs/dbraw/zinc/64/73/21/381647321.db2.gz TVGZXNOQUSBUDB-FQEVSTJZSA-N -1 0 304.368 -0.615 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)C2(C(=O)[O-])CC2)s1 ZINC000566300711 381648852 /nfs/dbraw/zinc/64/88/52/381648852.db2.gz NCHOQEXSKDDTGQ-UHFFFAOYSA-N -1 0 304.349 -0.124 20 0 DBADRM NC(=O)[C@]1(NS(=O)(=O)CCCC(F)(F)F)CCOC1 ZINC000566478072 381659828 /nfs/dbraw/zinc/65/98/28/381659828.db2.gz NMGKQFCYJNBBQJ-QMMMGPOBSA-N -1 0 304.290 -0.107 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)C2CC2)C1=O ZINC000566551132 381663537 /nfs/dbraw/zinc/66/35/37/381663537.db2.gz AMNOLELRIFCSPS-VHSXEESVSA-N -1 0 304.368 -0.222 20 0 DBADRM CN1CCN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CC1=O ZINC000566317620 381652535 /nfs/dbraw/zinc/65/25/35/381652535.db2.gz WMUWRVZRVAKXKI-UHFFFAOYSA-N -1 0 316.310 -0.013 20 0 DBADRM CC(C)(C)OC[C@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000312867733 381710181 /nfs/dbraw/zinc/71/01/81/381710181.db2.gz ZLMKOJAFFZBQBM-VIFPVBQESA-N -1 0 310.372 -0.579 20 0 DBADRM COc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cn1 ZINC000567799196 381714068 /nfs/dbraw/zinc/71/40/68/381714068.db2.gz GBADHVKENBMJGI-SECBINFHSA-N -1 0 302.308 -0.436 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000567809175 381714338 /nfs/dbraw/zinc/71/43/38/381714338.db2.gz KLVPCKPEPAEZNN-MXWKQRLJSA-N -1 0 304.368 -0.109 20 0 DBADRM COCCOC1CN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000566912229 381675989 /nfs/dbraw/zinc/67/59/89/381675989.db2.gz BGTRHJNUHCKYHU-SNVBAGLBSA-N -1 0 322.383 -0.625 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000566915230 381676048 /nfs/dbraw/zinc/67/60/48/381676048.db2.gz HSLYTESBIQWLBE-ZJUUUORDSA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@@H]1CN(CCN(C)C(=O)c2cnc([O-])n(C)c2=O)C[C@H](C)O1 ZINC000567068848 381679251 /nfs/dbraw/zinc/67/92/51/381679251.db2.gz UEAHATAIUPHUMY-PHIMTYICSA-N -1 0 324.381 -0.333 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000567234645 381688316 /nfs/dbraw/zinc/68/83/16/381688316.db2.gz DCHNGNZRTBEFQH-DCAQKATOSA-N -1 0 315.370 -0.110 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCO1 ZINC000615362164 381695323 /nfs/dbraw/zinc/69/53/23/381695323.db2.gz CLDDKGMESNGMGI-QMMMGPOBSA-N -1 0 300.336 -0.100 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)NC[C@](C)(O)C(=O)[O-])cc1C ZINC000567863575 381719968 /nfs/dbraw/zinc/71/99/68/381719968.db2.gz UYALPZZNCYZBJD-HNNXBMFYSA-N -1 0 308.334 -0.015 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000567863427 381720458 /nfs/dbraw/zinc/72/04/58/381720458.db2.gz OVUAJQBJLOHVAM-SNVBAGLBSA-N -1 0 317.305 -0.093 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N(CC(=O)[O-])C1CCCC1 ZINC000063142515 184273823 /nfs/dbraw/zinc/27/38/23/184273823.db2.gz ROSKRVLJGGTMHL-UHFFFAOYSA-N -1 0 313.397 -0.310 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000567887436 381722037 /nfs/dbraw/zinc/72/20/37/381722037.db2.gz KODMBIUOFRPSDO-UTUOFQBUSA-N -1 0 322.365 -0.043 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000567887198 381722097 /nfs/dbraw/zinc/72/20/97/381722097.db2.gz FBMLAMVIPUYBGZ-CYBMUJFWSA-N -1 0 300.311 -0.621 20 0 DBADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000567881178 381722426 /nfs/dbraw/zinc/72/24/26/381722426.db2.gz UKBVKFPMSFSEOB-ZLVALASMSA-N -1 0 304.368 -0.665 20 0 DBADRM CCNC(=O)C1(CNC(=O)C(=O)NCCCC(=O)[O-])CCC1 ZINC000567887580 381722463 /nfs/dbraw/zinc/72/24/63/381722463.db2.gz NNFAAWQGTFWIDA-UHFFFAOYSA-N -1 0 313.354 -0.610 20 0 DBADRM COCC1(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])CC1 ZINC000568989034 381781341 /nfs/dbraw/zinc/78/13/41/381781341.db2.gz GERPRZRPQTUHHE-CVJBHZAOSA-N -1 0 311.381 -0.987 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000568948184 381781482 /nfs/dbraw/zinc/78/14/82/381781482.db2.gz HRBYREZVXRVEFO-YIZRAAEISA-N -1 0 309.340 -0.701 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-] ZINC000569202668 381789068 /nfs/dbraw/zinc/78/90/68/381789068.db2.gz NSIVDGRKEHJFSB-JTQLQIEISA-N -1 0 322.383 -0.559 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)c1 ZINC000568748940 381772466 /nfs/dbraw/zinc/77/24/66/381772466.db2.gz MGIVVEASHQDREL-QWRGUYRKSA-N -1 0 308.290 -0.723 20 0 DBADRM C[C@H]1CCCN(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)C1 ZINC000167255708 381822457 /nfs/dbraw/zinc/82/24/57/381822457.db2.gz XAECUAXTIRZVPV-VIFPVBQESA-N -1 0 317.371 -0.571 20 0 DBADRM Cn1ccc(CC(=O)Nc2nnc([N-]S(C)(=O)=O)s2)n1 ZINC000573589677 381832497 /nfs/dbraw/zinc/83/24/97/381832497.db2.gz PRWVBZJKEPTAFQ-UHFFFAOYSA-N -1 0 316.368 -0.176 20 0 DBADRM CC[C@@H](NC(=O)NCC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000573948779 381845640 /nfs/dbraw/zinc/84/56/40/381845640.db2.gz NSZCXFWMHXOOOW-SNVBAGLBSA-N -1 0 321.399 -0.180 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000573686657 381837102 /nfs/dbraw/zinc/83/71/02/381837102.db2.gz QGZBRXYZOLOJCY-WDEREUQCSA-N -1 0 309.370 -0.063 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N(C)[C@H](C)CC(=O)[O-] ZINC000572976053 381807424 /nfs/dbraw/zinc/80/74/24/381807424.db2.gz KNPZIUCARPBMQA-SECBINFHSA-N -1 0 301.343 -0.660 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)NCCNS(C)(=O)=O)C1CCC1 ZINC000574864857 381880544 /nfs/dbraw/zinc/88/05/44/381880544.db2.gz INVGKIJQLDGWBA-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM COC(=O)[C@H](NC(=O)c1n[nH]c(=O)[n-]1)[C@@H]1CCC[C@H](OC)C1 ZINC000574885538 381882594 /nfs/dbraw/zinc/88/25/94/381882594.db2.gz IAOKTGIZJCWHBW-HRDYMLBCSA-N -1 0 312.326 -0.013 20 0 DBADRM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)Cn2cnnn2)C1 ZINC000574159150 381853318 /nfs/dbraw/zinc/85/33/18/381853318.db2.gz GTPWEQFVONHXOY-CQSZACIVSA-N -1 0 301.306 -0.072 20 0 DBADRM C[C@@H]1CCN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1C(=O)[O-] ZINC000574154362 381853654 /nfs/dbraw/zinc/85/36/54/381853654.db2.gz FLAHRXZHJVZKNM-RCWTZXSCSA-N -1 0 313.354 -0.229 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(F)ccc1Cl ZINC000169091942 381867064 /nfs/dbraw/zinc/86/70/64/381867064.db2.gz YMAQHEQMWTWZEJ-UHFFFAOYSA-N -1 0 324.717 -0.042 20 0 DBADRM CC(C)c1n[nH]cc1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000574571832 381869698 /nfs/dbraw/zinc/86/96/98/381869698.db2.gz AEPIKRYOHAVDIK-VIFPVBQESA-N -1 0 315.351 -0.143 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCCN1CCCS1(=O)=O ZINC000405859860 381898661 /nfs/dbraw/zinc/89/86/61/381898661.db2.gz CRZHDKDJXNIIRS-BDAKNGLRSA-N -1 0 304.368 -0.505 20 0 DBADRM Cc1noc([C@@H](C)NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC000575919941 381905602 /nfs/dbraw/zinc/90/56/02/381905602.db2.gz DYOKZIQYRSSXTR-SVRRBLITSA-N -1 0 304.328 -0.178 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]1 ZINC000576255445 381917803 /nfs/dbraw/zinc/91/78/03/381917803.db2.gz VAYDSZQGZUFZSB-SFYZADRCSA-N -1 0 317.371 -0.652 20 0 DBADRM CCO[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])[C@H]1OC ZINC000576343787 381921179 /nfs/dbraw/zinc/92/11/79/381921179.db2.gz HNVIYYQJGWTSKK-LNFKQOIKSA-N -1 0 322.383 -0.438 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c(F)c1 ZINC000576326763 381921302 /nfs/dbraw/zinc/92/13/02/381921302.db2.gz GGQYWNHICKLNPX-VIFPVBQESA-N -1 0 307.299 -0.052 20 0 DBADRM COc1cc(-c2noc(CN3CCOC[C@H]3C(=O)[O-])n2)ncn1 ZINC000575322568 381890893 /nfs/dbraw/zinc/89/08/93/381890893.db2.gz MBPWDNKMTZNSIH-VIFPVBQESA-N -1 0 321.293 -0.179 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000577572115 381965283 /nfs/dbraw/zinc/96/52/83/381965283.db2.gz YRXHLLBZKAGEHN-UMNHJUIQSA-N -1 0 307.368 -0.226 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@]2(C)CO)C1 ZINC000577620115 381967697 /nfs/dbraw/zinc/96/76/97/381967697.db2.gz DRXGHFYYCJNWDC-UEKVPHQBSA-N -1 0 312.366 -0.071 20 0 DBADRM Cc1c(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)cnn1C ZINC000576717669 381934335 /nfs/dbraw/zinc/93/43/35/381934335.db2.gz LWYZHTMRNJVICW-MWLCHTKSSA-N -1 0 317.367 -0.425 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C(=O)[O-] ZINC000576823476 381936342 /nfs/dbraw/zinc/93/63/42/381936342.db2.gz KTSWGXHTIZUKPY-KATARQTJSA-N -1 0 323.367 -0.312 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(c2ccc(C(=O)[O-])nn2)C1 ZINC000577066211 381945801 /nfs/dbraw/zinc/94/58/01/381945801.db2.gz MATLYSCCUZQNBH-VIFPVBQESA-N -1 0 314.367 -0.060 20 0 DBADRM CC1(C)CN(C(=O)c2cnc(C(=O)[O-])cn2)CCS1(=O)=O ZINC000578132122 381995359 /nfs/dbraw/zinc/99/53/59/381995359.db2.gz OUURJEKCCFFBCL-UHFFFAOYSA-N -1 0 313.335 -0.176 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CCO1 ZINC000578129750 381995570 /nfs/dbraw/zinc/99/55/70/381995570.db2.gz ABOXARPQBNPMNT-MNOVXSKESA-N -1 0 322.383 -0.625 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c(F)c1 ZINC000578412165 382016204 /nfs/dbraw/zinc/01/62/04/382016204.db2.gz QIBMZILWIDNVQX-MRVPVSSYSA-N -1 0 320.298 -0.559 20 0 DBADRM Nc1cccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC000578299913 382008078 /nfs/dbraw/zinc/00/80/78/382008078.db2.gz WSBVCNKNTMSPSU-UHFFFAOYSA-N -1 0 311.323 -0.463 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)NC1CC1)[C@H](O)Cc1ccccc1 ZINC000578305846 382008500 /nfs/dbraw/zinc/00/85/00/382008500.db2.gz BTZVZCUORLBWJZ-NEPJUHHUSA-N -1 0 314.363 -0.370 20 0 DBADRM CN(C)S(=O)(=O)NCCN=c1[n-]c(C(F)(F)F)ns1 ZINC000577983702 381984517 /nfs/dbraw/zinc/98/45/17/381984517.db2.gz LKEHFFBVVSFNOR-UHFFFAOYSA-N -1 0 319.334 -0.213 20 0 DBADRM CC(C)CN1C[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]3)CCN2C1=O ZINC000578396769 382015192 /nfs/dbraw/zinc/01/51/92/382015192.db2.gz QJXZEOOSCJRZRI-SECBINFHSA-N -1 0 308.342 -0.272 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)NC1(C(=O)[O-])CC1 ZINC000578429377 382015243 /nfs/dbraw/zinc/01/52/43/382015243.db2.gz ANEHKKJHAUADNF-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM COc1ccnc(NS(=O)(=O)CCCCS(N)(=O)=O)c1 ZINC000349602885 381989210 /nfs/dbraw/zinc/98/92/10/381989210.db2.gz FKVASLOJFHPOPW-UHFFFAOYSA-N -1 0 323.396 -0.099 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N(CC(=O)[O-])C2CCC2)C1 ZINC000579236058 382055291 /nfs/dbraw/zinc/05/52/91/382055291.db2.gz UHONRLNOIRAGKR-SECBINFHSA-N -1 0 319.383 -0.331 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)CC2 ZINC000579473945 382069776 /nfs/dbraw/zinc/06/97/76/382069776.db2.gz UTPIERZUUJPWGU-QMMMGPOBSA-N -1 0 302.294 -0.180 20 0 DBADRM O=C([O-])C[C@]1(NS(=O)(=O)c2cnc3n2CCC3)CCOC1 ZINC000579344998 382062161 /nfs/dbraw/zinc/06/21/61/382062161.db2.gz SHTPLZQQJCVFPU-GFCCVEGCSA-N -1 0 315.351 -0.259 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)C(=O)NCCCC(=O)[O-])CCC1 ZINC000579354844 382063310 /nfs/dbraw/zinc/06/33/10/382063310.db2.gz OMTKRDHYVDPNLH-UHFFFAOYSA-N -1 0 320.367 -0.949 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1nnc2c1CCCC2)c1nnn[n-]1 ZINC000579371647 382065317 /nfs/dbraw/zinc/06/53/17/382065317.db2.gz UBUQCWJFFNTRNT-VIFPVBQESA-N -1 0 304.358 -0.068 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000578538238 382022019 /nfs/dbraw/zinc/02/20/19/382022019.db2.gz QUFBAJVTNFSOPO-BBBLOLIVSA-N -1 0 322.383 -0.738 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000578550687 382023568 /nfs/dbraw/zinc/02/35/68/382023568.db2.gz LHMSOMVBLXFTIM-KOLCDFICSA-N -1 0 317.367 -0.425 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cn1 ZINC000578632484 382025706 /nfs/dbraw/zinc/02/57/06/382025706.db2.gz YSSNYXABKBFZBE-UHFFFAOYSA-N -1 0 311.323 -0.342 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000578643960 382028198 /nfs/dbraw/zinc/02/81/98/382028198.db2.gz IDCFPWQZIOOTNH-SFYZADRCSA-N -1 0 301.311 -0.125 20 0 DBADRM C[C@H]1CCN(C(=O)NCCN2C(=O)CNC2=O)C[C@@H]1C(=O)[O-] ZINC000579948559 382102630 /nfs/dbraw/zinc/10/26/30/382102630.db2.gz LXWUYRGYYWNSRB-IUCAKERBSA-N -1 0 312.326 -0.710 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CO)C2)C[C@@H]1C(=O)[O-] ZINC000579957237 382104178 /nfs/dbraw/zinc/10/41/78/382104178.db2.gz GFSZNMFUMJCNOH-UTUOFQBUSA-N -1 0 312.366 -0.214 20 0 DBADRM O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1n[nH]c(=O)[n-]1 ZINC000580971479 382123402 /nfs/dbraw/zinc/12/34/02/382123402.db2.gz BUJZAKCKBCGGCA-SECBINFHSA-N -1 0 308.342 -0.080 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000579593197 382079110 /nfs/dbraw/zinc/07/91/10/382079110.db2.gz WSPPCFWVYPNGHM-LLVKDONJSA-N -1 0 323.353 -0.502 20 0 DBADRM CN(C)c1cnc(C(=O)Nc2n[nH]c(SCCO)n2)cn1 ZINC000579734790 382089531 /nfs/dbraw/zinc/08/95/31/382089531.db2.gz XTXYEJLWANQMQW-UHFFFAOYSA-N -1 0 309.355 -0.003 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)c1cnc(C(=O)[O-])cn1 ZINC000579836539 382095700 /nfs/dbraw/zinc/09/57/00/382095700.db2.gz MCIPJZLUFRZIKY-UHFFFAOYSA-N -1 0 316.339 -0.766 20 0 DBADRM O=C([O-])CC1(C(=O)NCCN2CCCS2(=O)=O)CCC1 ZINC000579839205 382096073 /nfs/dbraw/zinc/09/60/73/382096073.db2.gz OFJCCBDEOANFLT-UHFFFAOYSA-N -1 0 304.368 -0.217 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000581896246 382181056 /nfs/dbraw/zinc/18/10/56/382181056.db2.gz VXWGKCQIBUAPEB-UHFFFAOYSA-N -1 0 305.246 -0.256 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1=O ZINC000386045849 382182754 /nfs/dbraw/zinc/18/27/54/382182754.db2.gz YURSSRSKDOMVEZ-JTQLQIEISA-N -1 0 309.322 -0.740 20 0 DBADRM O=C(NC[C@@H]1CCCOC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000194436742 382136550 /nfs/dbraw/zinc/13/65/50/382136550.db2.gz STHMSGFTHHTJAP-QMMMGPOBSA-N -1 0 304.306 -0.232 20 0 DBADRM CN(C(=O)NCCNS(C)(=O)=O)C1(C(=O)[O-])CCCC1 ZINC000381037560 382142601 /nfs/dbraw/zinc/14/26/01/382142601.db2.gz ZEZUBQXTWVIPPI-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM CN(C(=O)NCCCC(=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000383247960 382158629 /nfs/dbraw/zinc/15/86/29/382158629.db2.gz AGDNRHSYEULMGH-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)C1 ZINC000581585781 382158742 /nfs/dbraw/zinc/15/87/42/382158742.db2.gz SYRQRYXCTAWXQS-WZRBSPASSA-N -1 0 318.395 -0.004 20 0 DBADRM O=C([O-])[C@H]1CN(c2cc(N3CCC[C@H]3CO)ncn2)CCO1 ZINC000581669352 382169090 /nfs/dbraw/zinc/16/90/90/382169090.db2.gz OLJATQPAQQHDQV-WDEREUQCSA-N -1 0 308.338 -0.273 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC000581997068 382205671 /nfs/dbraw/zinc/20/56/71/382205671.db2.gz NMNUDTIIMVISKF-VXGBXAGGSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCc2nc(C3CC3)ncc2C1 ZINC000627277368 382213963 /nfs/dbraw/zinc/21/39/63/382213963.db2.gz HGUOPDBWGITCKZ-UHFFFAOYSA-N -1 0 318.333 -0.170 20 0 DBADRM C[C@]1(CNC(=O)C(=O)NCCC(=O)[O-])COc2ccccc2O1 ZINC000627277771 382213986 /nfs/dbraw/zinc/21/39/86/382213986.db2.gz XQYDWFZNANBNKQ-HNNXBMFYSA-N -1 0 322.317 -0.076 20 0 DBADRM CCC[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)OCC ZINC000627282190 382215251 /nfs/dbraw/zinc/21/52/51/382215251.db2.gz VNMWCXCCBYQBMI-QWRGUYRKSA-N -1 0 316.354 -0.380 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000627280631 382215337 /nfs/dbraw/zinc/21/53/37/382215337.db2.gz LVDXPODOTRPBKU-NSHDSACASA-N -1 0 323.353 -0.469 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000627279856 382215375 /nfs/dbraw/zinc/21/53/75/382215375.db2.gz VMOHDZDPCNRQNB-SNVBAGLBSA-N -1 0 311.342 -0.613 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000627279047 382215562 /nfs/dbraw/zinc/21/55/62/382215562.db2.gz FTVKOWZPGIRLNU-AEJSXWLSSA-N -1 0 313.354 -0.818 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CC[C@@H](CO)C2)c1 ZINC000615684900 382224042 /nfs/dbraw/zinc/22/40/42/382224042.db2.gz GPCKAIOOXKKVCA-BDAKNGLRSA-N -1 0 314.363 -0.070 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccncc1 ZINC000627282414 382226356 /nfs/dbraw/zinc/22/63/56/382226356.db2.gz AUIGNBBZXASKPX-JQWIXIFHSA-N -1 0 321.333 -0.387 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000081902657 382292617 /nfs/dbraw/zinc/29/26/17/382292617.db2.gz FYXJOJWSAPHYHO-LURJTMIESA-N -1 0 311.337 -0.311 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C[C@H]2C[C@H]2C1 ZINC000627283917 382246287 /nfs/dbraw/zinc/24/62/87/382246287.db2.gz NLBRNOALYRAXLM-RSQPEXBXSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCc2ccc[nH]c2=O)C[C@H]1C(=O)[O-] ZINC000627284989 382246379 /nfs/dbraw/zinc/24/63/79/382246379.db2.gz PSKWUTYXDMWQKB-GXSJLCMTSA-N -1 0 321.333 -0.027 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000627283663 382246591 /nfs/dbraw/zinc/24/65/91/382246591.db2.gz HSTPEVDTACUBQR-FBDQPXRJSA-N -1 0 314.338 -0.774 20 0 DBADRM CN1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1=O ZINC000084199429 382327912 /nfs/dbraw/zinc/32/79/12/382327912.db2.gz LXKFWWDHZFUKEB-UHFFFAOYSA-N -1 0 312.347 -0.224 20 0 DBADRM C[C@H]1SC[C@H](C(=O)[O-])N1C(=O)N1CCS(=O)(=O)CC1 ZINC000111434081 382328747 /nfs/dbraw/zinc/32/87/47/382328747.db2.gz YZWJKKHEGQHKMQ-HTQZYQBOSA-N -1 0 308.381 -0.315 20 0 DBADRM C[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)N1CCS(=O)(=O)CC1 ZINC000111434078 382328914 /nfs/dbraw/zinc/32/89/14/382328914.db2.gz YZWJKKHEGQHKMQ-YUMQZZPRSA-N -1 0 308.381 -0.315 20 0 DBADRM C[C@H]1CCCN(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC000089696344 382334371 /nfs/dbraw/zinc/33/43/71/382334371.db2.gz JWXYYZQFNNXMDB-VIFPVBQESA-N -1 0 317.371 -0.457 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000091294208 382341572 /nfs/dbraw/zinc/34/15/72/382341572.db2.gz CKNJJGIQSBKCFQ-SNVBAGLBSA-N -1 0 317.367 -0.099 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCC[C@@H]2C(=O)[O-])C1 ZINC000400144645 382389770 /nfs/dbraw/zinc/38/97/70/382389770.db2.gz YLTONLDDVPTYAQ-VHSXEESVSA-N -1 0 319.383 -0.331 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC000400200001 382390235 /nfs/dbraw/zinc/39/02/35/382390235.db2.gz FAXXAWZZIOCSMV-IUCAKERBSA-N -1 0 319.383 -0.333 20 0 DBADRM C=CCC[C@@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400223224 382392220 /nfs/dbraw/zinc/39/22/20/382392220.db2.gz OJTDRSQKGRKQSN-NXEZZACHSA-N -1 0 319.383 -0.261 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000620823537 382456594 /nfs/dbraw/zinc/45/65/94/382456594.db2.gz CZVBQBFNXWAQMX-RYUDHWBXSA-N -1 0 310.350 -0.029 20 0 DBADRM O=C(N[C@H]1C[C@H](O)C1)c1cccc(C(=O)N[C@H]2C[C@H](O)C2)c1[O-] ZINC000620877077 382457823 /nfs/dbraw/zinc/45/78/23/382457823.db2.gz YBGCGMUOKITUOF-OJEHDFPISA-N -1 0 320.345 -0.102 20 0 DBADRM O=C(NCCCNC(=O)c1cccc(F)c1)c1nc(=O)[nH][n-]1 ZINC000111631634 382469336 /nfs/dbraw/zinc/46/93/36/382469336.db2.gz NQDFEKJTWCAOAF-UHFFFAOYSA-N -1 0 307.285 -0.213 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)N3CC(C(=O)[O-])C3)C2=O)n(C)n1 ZINC000621831170 382511067 /nfs/dbraw/zinc/51/10/67/382511067.db2.gz RZTMCNLSOPXUEC-JTQLQIEISA-N -1 0 321.337 -0.440 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C[C@@H]1CO ZINC000621836092 382512547 /nfs/dbraw/zinc/51/25/47/382512547.db2.gz XFWZEUXSVYPEAQ-WRWGMCAJSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C[C@@H]1CO ZINC000621836090 382512983 /nfs/dbraw/zinc/51/29/83/382512983.db2.gz XFWZEUXSVYPEAQ-NNYUYHANSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C[C@@H]1CO ZINC000622045855 382540466 /nfs/dbraw/zinc/54/04/66/382540466.db2.gz AELWUWUNIKXESR-ZYHUDNBSSA-N -1 0 312.366 -0.214 20 0 DBADRM Cc1ccc([C@@H](CNC(=O)c2n[nH]c(=O)[n-]2)N2CCOCC2)o1 ZINC000079621424 382540486 /nfs/dbraw/zinc/54/04/86/382540486.db2.gz HFJCGUFOGQQEBR-SNVBAGLBSA-N -1 0 321.337 -0.197 20 0 DBADRM O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1n[nH]c(=O)[n-]1 ZINC000080328209 382553003 /nfs/dbraw/zinc/55/30/03/382553003.db2.gz NYSXWNNTERIAAZ-GFCCVEGCSA-N -1 0 317.349 -0.099 20 0 DBADRM Cn1nnc(CNC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)n1 ZINC000622565645 382570115 /nfs/dbraw/zinc/57/01/15/382570115.db2.gz PWVWECJDIYQHCR-UHFFFAOYSA-N -1 0 301.266 -0.517 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000624476685 382613985 /nfs/dbraw/zinc/61/39/85/382613985.db2.gz FWGGFQBGZUZNKN-SSDOTTSWSA-N -1 0 300.340 -0.683 20 0 DBADRM C[C@@H]1CN(C(=O)NCCN2C(=O)CCC2=O)CC[C@H]1C(=O)[O-] ZINC000405373354 382645676 /nfs/dbraw/zinc/64/56/76/382645676.db2.gz DRFKUYOZBWUVGE-NXEZZACHSA-N -1 0 311.338 -0.112 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000627972446 382645728 /nfs/dbraw/zinc/64/57/28/382645728.db2.gz OTHIRPROPHYYAG-MRVPVSSYSA-N -1 0 312.351 -0.287 20 0 DBADRM CO[C@@H](C)c1nc(=N[C@H](CO)CN2CCOCC2)s[n-]1 ZINC000631306767 382647078 /nfs/dbraw/zinc/64/70/78/382647078.db2.gz IWRBCUOUOHFEJT-UWVGGRQHSA-N -1 0 302.400 -0.228 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)sn1 ZINC000632187756 382663408 /nfs/dbraw/zinc/66/34/08/382663408.db2.gz GCMAZLSYSDHRCV-SSDOTTSWSA-N -1 0 316.364 -0.624 20 0 DBADRM CNC(=O)[C@@H]1CN(S(=O)(=O)c2cc([O-])cc(F)c2)CCO1 ZINC000632198244 382663836 /nfs/dbraw/zinc/66/38/36/382663836.db2.gz XVUSOLSFARYGAH-NSHDSACASA-N -1 0 318.326 -0.333 20 0 DBADRM C[C@@H]1CN(CC(C)(C)O)CCN1S(=O)(=O)c1ncc[n-]1 ZINC000632255814 382665156 /nfs/dbraw/zinc/66/51/56/382665156.db2.gz AHUTXRPXCDNYIG-SNVBAGLBSA-N -1 0 302.400 -0.125 20 0 DBADRM COCCOCCOCCN(C)S(=O)(=O)c1ncc[n-]1 ZINC000632263748 382665479 /nfs/dbraw/zinc/66/54/79/382665479.db2.gz FPHLLIBJBKIHNH-UHFFFAOYSA-N -1 0 307.372 -0.290 20 0 DBADRM COCCN1CN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1=O ZINC000632313557 382666930 /nfs/dbraw/zinc/66/69/30/382666930.db2.gz LAONTEHRYWNCJB-UHFFFAOYSA-N -1 0 318.326 -0.032 20 0 DBADRM O=C1CN(S(=O)(=O)c2ncc[n-]2)CCN1CC(F)(F)F ZINC000632333464 382667732 /nfs/dbraw/zinc/66/77/32/382667732.db2.gz ALEQYINQQSOMTC-UHFFFAOYSA-N -1 0 312.273 -0.195 20 0 DBADRM CN1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)[C@@H](CO)C1 ZINC000632576222 382674115 /nfs/dbraw/zinc/67/41/15/382674115.db2.gz LYYQSHFHQMNJAZ-SNVBAGLBSA-N -1 0 304.343 -0.172 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCC(N2CCOCC2)CC1 ZINC000632599828 382674974 /nfs/dbraw/zinc/67/49/74/382674974.db2.gz AKYDLYUYKWMDPR-UHFFFAOYSA-N -1 0 300.384 -0.105 20 0 DBADRM CC(C)CN1C[C@H]2CN(C(=O)CCc3nnn[n-]3)CCN2C1=O ZINC000632777802 382678095 /nfs/dbraw/zinc/67/80/95/382678095.db2.gz WJNWTGMOWQVVHE-LLVKDONJSA-N -1 0 321.385 -0.263 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCOCCN2)cn1 ZINC000627571414 382637706 /nfs/dbraw/zinc/63/77/06/382637706.db2.gz SXBZDUJXGIAPDQ-UHFFFAOYSA-N -1 0 300.340 -0.570 20 0 DBADRM CN(C(=O)c1cnc([O-])n(C)c1=O)[C@H]1CCCCN(C)C1=O ZINC000634139901 382692378 /nfs/dbraw/zinc/69/23/78/382692378.db2.gz HTTJWGLJTWOZDZ-JTQLQIEISA-N -1 0 308.338 -0.431 20 0 DBADRM CNC(=O)N1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000354372491 220557580 /nfs/dbraw/zinc/55/75/80/220557580.db2.gz NKNSCMLKCCJANU-UHFFFAOYSA-N -1 0 300.344 -0.914 20 0 DBADRM COC(=O)[C@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H](C)O1 ZINC000338338414 291904009 /nfs/dbraw/zinc/90/40/09/291904009.db2.gz AJCBADXLPJVNDO-GXSJLCMTSA-N -1 0 306.322 -0.215 20 0 DBADRM COC(=O)Cn1ncc([N-]S(=O)(=O)c2ccn(C)n2)c1C ZINC000355875048 220636908 /nfs/dbraw/zinc/63/69/08/220636908.db2.gz ARGOJHQGXWLDNP-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM COC(=O)Cn1ncc([N-]S(=O)(=O)c2ccnn2C)c1C ZINC000355884448 220640377 /nfs/dbraw/zinc/64/03/77/220640377.db2.gz QJKARGFIJCVOFJ-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM CC[C@@H]1CN(CCNC(=O)CSc2n[nH]c(=O)[n-]2)CCO1 ZINC000357391692 220711217 /nfs/dbraw/zinc/71/12/17/220711217.db2.gz LRDLCRGVZICTFX-SECBINFHSA-N -1 0 315.399 -0.171 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)CCn2cncn2)C1=O ZINC000358692039 220778428 /nfs/dbraw/zinc/77/84/28/220778428.db2.gz OHHGUDMCHJUXKX-CMPLNLGQSA-N -1 0 323.353 -0.506 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000362575793 220814805 /nfs/dbraw/zinc/81/48/05/220814805.db2.gz LJRKNUWFQQXXDS-IUCAKERBSA-N -1 0 300.336 -0.057 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000447634152 533439656 /nfs/dbraw/zinc/43/96/56/533439656.db2.gz MEHJHHBFDYGURR-UHFFFAOYSA-N -1 0 311.319 -0.261 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)C[C@H]2CCCCO2)CCOC1 ZINC000447159479 533634585 /nfs/dbraw/zinc/63/45/85/533634585.db2.gz LEZNOMDWWYKOAF-PWSUYJOCSA-N -1 0 307.368 -0.193 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)Cc2cc(C)no2)CCOC1 ZINC000447164922 533634783 /nfs/dbraw/zinc/63/47/83/533634783.db2.gz FTOCSJUPOGKPBF-NSHDSACASA-N -1 0 304.324 -0.265 20 0 DBADRM CNC(=O)[C@@H]1CN(CC(=O)[N-]OCc2ccccc2)CCO1 ZINC000272953824 130077446 /nfs/dbraw/zinc/07/74/46/130077446.db2.gz YZSCENGOXFOADH-ZDUSSCGKSA-N -1 0 307.350 -0.319 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000273650583 130150046 /nfs/dbraw/zinc/15/00/46/130150046.db2.gz GJWRJWWIPDUKOG-MRVPVSSYSA-N -1 0 318.307 -0.839 20 0 DBADRM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)[N-]OCC(N)=O ZINC000274493968 130240401 /nfs/dbraw/zinc/24/04/01/130240401.db2.gz RJIPWERLIFBPOX-ZETCQYMHSA-N -1 0 305.356 -0.171 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)oc1C ZINC000274873015 130269105 /nfs/dbraw/zinc/26/91/05/130269105.db2.gz BETAVOUXHLJZPZ-ANLVUFKYSA-N -1 0 321.307 -0.513 20 0 DBADRM CCOC(=O)c1cccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000274923939 130274626 /nfs/dbraw/zinc/27/46/26/130274626.db2.gz NKLZUOAYWVANIE-SNVBAGLBSA-N -1 0 317.319 -0.413 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000274934300 130274641 /nfs/dbraw/zinc/27/46/41/130274641.db2.gz CCBYOIYKSOOUJN-BDAKNGLRSA-N -1 0 315.399 -0.896 20 0 DBADRM CCOc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cn1 ZINC000274924008 130275097 /nfs/dbraw/zinc/27/50/97/130275097.db2.gz NMXBQJKSTKEJAL-OIBJUYFYSA-N -1 0 304.324 -0.407 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000274935471 130275099 /nfs/dbraw/zinc/27/50/99/130275099.db2.gz CRDXWSMRVRPKIN-SFYZADRCSA-N -1 0 311.367 -0.540 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cnc1Cl ZINC000274967488 130277387 /nfs/dbraw/zinc/27/73/87/130277387.db2.gz VWGAORFNZICEGB-SSDOTTSWSA-N -1 0 321.742 -0.350 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-] ZINC000275026271 130285250 /nfs/dbraw/zinc/28/52/50/130285250.db2.gz DYKNHPPSSZWZOA-QMMMGPOBSA-N -1 0 321.307 -0.166 20 0 DBADRM Cc1nc(CNS(=O)(=O)N2CCOCC2)ccc1C(=O)[O-] ZINC000275060981 130287493 /nfs/dbraw/zinc/28/74/93/130287493.db2.gz YVHJRVSSEIBXMO-UHFFFAOYSA-N -1 0 315.351 -0.245 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c(C)o1 ZINC000275050410 130287587 /nfs/dbraw/zinc/28/75/87/130287587.db2.gz IAVLTSMYVFTIID-QMMMGPOBSA-N -1 0 304.324 -0.107 20 0 DBADRM CCC(=O)C[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)[O-] ZINC000275057807 130288112 /nfs/dbraw/zinc/28/81/12/130288112.db2.gz UFKTXFDRCLDRKT-VXNVDRBHSA-N -1 0 309.340 -0.463 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@H](C)CC(=O)[O-] ZINC000275060000 130288153 /nfs/dbraw/zinc/28/81/53/130288153.db2.gz UPNJXSJIACTQQP-SSDOTTSWSA-N -1 0 319.339 -0.025 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000275060763 130288401 /nfs/dbraw/zinc/28/84/01/130288401.db2.gz JRNYRTOWCMNTKC-ZCFIWIBFSA-N -1 0 311.747 -0.159 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000275070487 130290520 /nfs/dbraw/zinc/29/05/20/130290520.db2.gz LEXCJIUGDDOEGV-RITPCOANSA-N -1 0 311.747 -0.506 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC(C(=O)[O-])C1 ZINC000275093694 130292183 /nfs/dbraw/zinc/29/21/83/130292183.db2.gz HHOXOJUGGPLLMT-UHFFFAOYSA-N -1 0 303.296 -0.709 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])cn1 ZINC000275166506 130295631 /nfs/dbraw/zinc/29/56/31/130295631.db2.gz BIVHAQIEBVPWGQ-VIFPVBQESA-N -1 0 319.339 -0.412 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@H](CCC(=O)OC)C(=O)[O-])cn1 ZINC000275166499 130295853 /nfs/dbraw/zinc/29/58/53/130295853.db2.gz BIVHAQIEBVPWGQ-SECBINFHSA-N -1 0 319.339 -0.412 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)c1cccc2nonc21 ZINC000275202426 130298520 /nfs/dbraw/zinc/29/85/20/130298520.db2.gz BITYRJJWNSTVIC-UHFFFAOYSA-N -1 0 301.280 -0.710 20 0 DBADRM CCOC(=O)c1cccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000275261070 130300496 /nfs/dbraw/zinc/30/04/96/130300496.db2.gz MDODVSNISLGYMH-JTQLQIEISA-N -1 0 317.319 -0.413 20 0 DBADRM Cn1cc(C[C@@H](NS(=O)(=O)c2cccnc2)C(=O)[O-])cn1 ZINC000275296032 130303214 /nfs/dbraw/zinc/30/32/14/130303214.db2.gz PXBBHZRWOUTBQF-LLVKDONJSA-N -1 0 310.335 -0.211 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)[O-] ZINC000275355025 130308853 /nfs/dbraw/zinc/30/88/53/130308853.db2.gz WUQCXEZKWXAVHN-SNVBAGLBSA-N -1 0 316.335 -0.047 20 0 DBADRM CCOCCS(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275351291 130309009 /nfs/dbraw/zinc/30/90/09/130309009.db2.gz WIGLXWNHOYAMBV-SNVBAGLBSA-N -1 0 305.356 -0.628 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N[C@@H](CC2CC2)C(=O)[O-])C1 ZINC000400215988 391987915 /nfs/dbraw/zinc/98/79/15/391987915.db2.gz WVYGXAWABZZOAN-UWVGGRQHSA-N -1 0 319.383 -0.427 20 0 DBADRM Cn1nnc(CNS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000398048180 391999920 /nfs/dbraw/zinc/99/99/20/391999920.db2.gz CBOOSNLRTMBOEB-UHFFFAOYSA-N -1 0 315.286 -0.474 20 0 DBADRM CC(C)Cn1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC000277358438 130605449 /nfs/dbraw/zinc/60/54/49/130605449.db2.gz DTKDSAWGYOTSMB-UHFFFAOYSA-N -1 0 316.383 -0.265 20 0 DBADRM CO[C@H](CNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)[O-] ZINC000227269758 391962627 /nfs/dbraw/zinc/96/26/27/391962627.db2.gz LANOEZUENLUKMN-SXMVTHIZSA-N -1 0 302.352 -0.344 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)NCc2nnn[n-]2)cc1 ZINC000648779318 391971622 /nfs/dbraw/zinc/97/16/22/391971622.db2.gz JRFFJBQKHGJYPW-UHFFFAOYSA-N -1 0 310.339 -0.897 20 0 DBADRM CO[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1ccccc1 ZINC000277654210 130630492 /nfs/dbraw/zinc/63/04/92/130630492.db2.gz ONTPDSRQEPRDKW-LBPRGKRZSA-N -1 0 314.363 -0.044 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000649457144 392072990 /nfs/dbraw/zinc/07/29/90/392072990.db2.gz LQWFEMBETMQZOQ-SNVBAGLBSA-N -1 0 321.399 -0.706 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000649453122 392073489 /nfs/dbraw/zinc/07/34/89/392073489.db2.gz BWCPDGPQTLNRSF-RKDXNWHRSA-N -1 0 306.384 -0.069 20 0 DBADRM NS(=O)(=O)Cc1cccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000649456818 392074212 /nfs/dbraw/zinc/07/42/12/392074212.db2.gz GBPLJBPVZXSAAZ-GHMZBOCLSA-N -1 0 312.347 -0.188 20 0 DBADRM NC(=O)c1cccnc1N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000649464640 392075074 /nfs/dbraw/zinc/07/50/74/392075074.db2.gz MZTCYNJDNJETIR-GHMZBOCLSA-N -1 0 318.333 -0.450 20 0 DBADRM CN1CC[C@@H](C(=O)N=c2cc(C(F)(F)F)[n-][nH]2)S1(=O)=O ZINC000649214159 392019759 /nfs/dbraw/zinc/01/97/59/392019759.db2.gz GVAGYCQRRPSNNC-YFKPBYRVSA-N -1 0 312.273 -0.177 20 0 DBADRM O=C([O-])Cn1ccc(=NC(=O)[C@H]2CCc3ncncc3C2)[nH]1 ZINC000649244982 392022812 /nfs/dbraw/zinc/02/28/12/392022812.db2.gz DBYGTHMMNXLMTF-VIFPVBQESA-N -1 0 301.306 -0.077 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2)S1(=O)=O ZINC000649243920 392023034 /nfs/dbraw/zinc/02/30/34/392023034.db2.gz DXERYPLNGKCCCS-QWRGUYRKSA-N -1 0 312.347 -0.038 20 0 DBADRM CN1CC[C@H](C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)S1(=O)=O ZINC000649240193 392023444 /nfs/dbraw/zinc/02/34/44/392023444.db2.gz QAVIZBSQESGXFN-VHSXEESVSA-N -1 0 316.379 -0.266 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)C2(C(=O)[O-])CCOCC2)C1=O ZINC000649243705 392023474 /nfs/dbraw/zinc/02/34/74/392023474.db2.gz GCVOGFVESMLJNA-SECBINFHSA-N -1 0 312.322 -0.480 20 0 DBADRM CN1CC[C@H](C(=O)NCC2(C(=O)[O-])CCCC2)S1(=O)=O ZINC000649245671 392023580 /nfs/dbraw/zinc/02/35/80/392023580.db2.gz PWPKTQUUHAPQFV-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H](C(=O)[O-])C1 ZINC000649251263 392024388 /nfs/dbraw/zinc/02/43/88/392024388.db2.gz SADCMVOSLZMEPT-UTLUCORTSA-N -1 0 304.368 -0.268 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000649257398 392024513 /nfs/dbraw/zinc/02/45/13/392024513.db2.gz IMDUDNSKEQFNQY-VHSXEESVSA-N -1 0 320.367 -0.888 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@H](CC(F)F)C(=O)[O-])S1(=O)=O ZINC000649251354 392025078 /nfs/dbraw/zinc/02/50/78/392025078.db2.gz WZVDMEXGKVWVNT-WDSKDSINSA-N -1 0 300.283 -0.755 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)C1CC(C(=O)[O-])C1 ZINC000649257246 392025089 /nfs/dbraw/zinc/02/50/89/392025089.db2.gz BZGSASSNVKSSQR-UHFFFAOYSA-N -1 0 304.368 -0.409 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCC[C@](C)(C(=O)[O-])C2)S1(=O)=O ZINC000649251728 392025098 /nfs/dbraw/zinc/02/50/98/392025098.db2.gz PVWLCOALHVQJIC-CABZTGNLSA-N -1 0 304.368 -0.266 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H](CC(F)F)C(=O)[O-])S1(=O)=O ZINC000649251352 392025234 /nfs/dbraw/zinc/02/52/34/392025234.db2.gz WZVDMEXGKVWVNT-PHDIDXHHSA-N -1 0 300.283 -0.755 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)Cc1ccccc1 ZINC000278177957 130668936 /nfs/dbraw/zinc/66/89/36/130668936.db2.gz DUFWCMNZRKYCSH-UHFFFAOYSA-N -1 0 300.336 -0.303 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000649355500 392052070 /nfs/dbraw/zinc/05/20/70/392052070.db2.gz ANPSLUQVAURSBC-ZDUSSCGKSA-N -1 0 314.363 -0.006 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)c1ccc(F)cc1[O-] ZINC000552197779 392062475 /nfs/dbraw/zinc/06/24/75/392062475.db2.gz FKCCDQPYAVGPFG-UHFFFAOYSA-N -1 0 305.331 -0.343 20 0 DBADRM C[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CC[C@H]1C(=O)[O-] ZINC000649405240 392066081 /nfs/dbraw/zinc/06/60/81/392066081.db2.gz LIFPYGYFFZNMDI-HTQZYQBOSA-N -1 0 321.337 -0.080 20 0 DBADRM O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1n[nH]c(=O)[n-]1 ZINC000552396528 392067410 /nfs/dbraw/zinc/06/74/10/392067410.db2.gz YKLBTTITCKYJBM-ZETCQYMHSA-N -1 0 322.277 -0.591 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)cc1C(=O)[O-] ZINC000279262151 130741027 /nfs/dbraw/zinc/74/10/27/130741027.db2.gz JJDXZRJKPRPRHY-UHFFFAOYSA-N -1 0 313.335 -0.324 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)CCCCF)C1 ZINC000554531779 392094480 /nfs/dbraw/zinc/09/44/80/392094480.db2.gz KGHCTXZYQWKHEY-VIFPVBQESA-N -1 0 310.347 -0.411 20 0 DBADRM CC[C@@H](NC(=O)NCCCN(C)S(=O)(=O)CC)C(=O)[O-] ZINC000572552657 392107615 /nfs/dbraw/zinc/10/76/15/392107615.db2.gz BMKSRXJSZGKJHD-SECBINFHSA-N -1 0 309.388 -0.180 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)CCO1 ZINC000269037978 392121334 /nfs/dbraw/zinc/12/13/34/392121334.db2.gz PCFFMEZTDZRTKA-SNVBAGLBSA-N -1 0 320.305 -0.802 20 0 DBADRM O=C(NCCN1CCCS1(=O)=O)c1c(O)cccc1O ZINC000271412225 392122622 /nfs/dbraw/zinc/12/26/22/392122622.db2.gz XUSPPCPYERDIHG-UHFFFAOYSA-N -1 0 300.336 -0.137 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000275259336 392122897 /nfs/dbraw/zinc/12/28/97/392122897.db2.gz ITHDHKJUZBUZMH-UHFFFAOYSA-N -1 0 301.320 -0.311 20 0 DBADRM CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)[O-])CC2)nc1 ZINC000274218079 392122964 /nfs/dbraw/zinc/12/29/64/392122964.db2.gz YEJDGSVPERRJNL-UHFFFAOYSA-N -1 0 307.306 -0.009 20 0 DBADRM Cc1cccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1F ZINC000274895070 392123090 /nfs/dbraw/zinc/12/30/90/392123090.db2.gz GWVVJZXEACKIGT-ZETCQYMHSA-N -1 0 304.299 -0.259 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000284078866 131046972 /nfs/dbraw/zinc/04/69/72/131046972.db2.gz UZJDUHGHOBSFKI-CBAPKCEASA-N -1 0 315.351 -0.250 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)[C@H](C)COC)C(=O)[O-] ZINC000399735431 392354779 /nfs/dbraw/zinc/35/47/79/392354779.db2.gz VMPYVZVAGYFULB-BDAKNGLRSA-N -1 0 311.356 -0.263 20 0 DBADRM CC(=O)NCCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000035238364 392357780 /nfs/dbraw/zinc/35/77/80/392357780.db2.gz MUELIZHRKRMIJT-UHFFFAOYSA-N -1 0 316.335 -0.436 20 0 DBADRM COc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1C ZINC000035233306 392358293 /nfs/dbraw/zinc/35/82/93/392358293.db2.gz FMBYVELPYRATDQ-UHFFFAOYSA-N -1 0 316.335 -0.517 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)CC(=O)NCC(C)C)[n-]1 ZINC000285005086 131129956 /nfs/dbraw/zinc/12/99/56/131129956.db2.gz CSNTYMDLCIVFDH-UHFFFAOYSA-N -1 0 303.340 -0.258 20 0 DBADRM CCC(=O)C[C@@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)[O-] ZINC000285070213 131135954 /nfs/dbraw/zinc/13/59/54/131135954.db2.gz KPNJUUMDVUJQQN-SECBINFHSA-N -1 0 303.340 -0.171 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccoc1 ZINC000285127155 131140705 /nfs/dbraw/zinc/14/07/05/131140705.db2.gz NLDPXLPZTIYUCW-MRVPVSSYSA-N -1 0 323.348 -0.458 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccoc2)C1 ZINC000285141700 131142620 /nfs/dbraw/zinc/14/26/20/131142620.db2.gz OEJJJOCAXBXGBI-QMMMGPOBSA-N -1 0 302.308 -0.509 20 0 DBADRM CC[C@@H](C)NC(=O)CS(=O)(=O)c1ncc(C(=O)OC)[n-]1 ZINC000285222496 131149042 /nfs/dbraw/zinc/14/90/42/131149042.db2.gz WXGBWENCRAFUPP-SSDOTTSWSA-N -1 0 303.340 -0.115 20 0 DBADRM COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000036968963 392368279 /nfs/dbraw/zinc/36/82/79/392368279.db2.gz DVKINSCSZQJJPQ-VIFPVBQESA-N -1 0 317.319 -0.495 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)CNC(=O)[O-])cc1 ZINC000285696544 131194688 /nfs/dbraw/zinc/19/46/88/131194688.db2.gz OPIZHZIZBZSBTN-UHFFFAOYSA-N -1 0 315.351 -0.343 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000037417471 392373258 /nfs/dbraw/zinc/37/32/58/392373258.db2.gz VXPZYSWRMYTPQA-XCBNKYQSSA-N -1 0 317.319 -0.415 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC000037429981 392373672 /nfs/dbraw/zinc/37/36/72/392373672.db2.gz UCFCKEJOUAXHFE-XVKPBYJWSA-N -1 0 317.367 -0.098 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000037414796 392373863 /nfs/dbraw/zinc/37/38/63/392373863.db2.gz ARPVYJRFEDZGIN-SECBINFHSA-N -1 0 303.292 -0.803 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccn(CCCOC)n2)c1[O-] ZINC000286048781 131217507 /nfs/dbraw/zinc/21/75/07/131217507.db2.gz ONHDLMOPEHGJHO-JTQLQIEISA-N -1 0 310.310 -0.093 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)CCc1ccccc1)C(=O)[O-] ZINC000037462979 392375175 /nfs/dbraw/zinc/37/51/75/392375175.db2.gz HPPBZUVOXGCXCG-NSHDSACASA-N -1 0 314.363 -0.133 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000037492680 392375727 /nfs/dbraw/zinc/37/57/27/392375727.db2.gz ZYLCSNVAPXIVRD-NSHDSACASA-N -1 0 324.399 -0.377 20 0 DBADRM CNc1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC000286623009 131243803 /nfs/dbraw/zinc/24/38/03/131243803.db2.gz YYXIHRJXNMMLHD-UHFFFAOYSA-N -1 0 300.340 -0.681 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCc1cnnn1C ZINC000287358985 131277356 /nfs/dbraw/zinc/27/73/56/131277356.db2.gz YBFSASPHYDTSFP-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(C(N)=O)C(C)C)o1 ZINC000287747715 131298959 /nfs/dbraw/zinc/29/89/59/131298959.db2.gz GWPFRYHKHGECJH-GFCCVEGCSA-N -1 0 317.367 -0.183 20 0 DBADRM CC(C)NC(=O)OC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000288029243 131310002 /nfs/dbraw/zinc/31/00/02/131310002.db2.gz DBONHRGROWBUGX-UHFFFAOYSA-N -1 0 310.310 -0.555 20 0 DBADRM COCCCO[N-]C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000288173490 131314952 /nfs/dbraw/zinc/31/49/52/131314952.db2.gz OYDJRWOQMQQIIB-LLVKDONJSA-N -1 0 315.351 -0.199 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1n[nH]c(C)c1C(N)=O ZINC000288663316 131334892 /nfs/dbraw/zinc/33/48/92/131334892.db2.gz YUMBAHRSYMBYBP-UHFFFAOYSA-N -1 0 318.355 -0.242 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-] ZINC000033455876 392412312 /nfs/dbraw/zinc/41/23/12/392412312.db2.gz OISFNSDUMNWWGW-RNCFNFMXSA-N -1 0 315.370 -0.366 20 0 DBADRM CN(C[C@H](O)Cc1ccccc1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000647095639 392415644 /nfs/dbraw/zinc/41/56/44/392415644.db2.gz KGMCRJTVWIFKMQ-SNVBAGLBSA-N -1 0 304.306 -0.042 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(=O)[O-] ZINC000556701384 392424280 /nfs/dbraw/zinc/42/42/80/392424280.db2.gz TVNWIDPAOWRIOL-DTWKUNHWSA-N -1 0 309.340 -0.509 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000556773988 392427501 /nfs/dbraw/zinc/42/75/01/392427501.db2.gz URNSUARWNSRHPQ-VHSXEESVSA-N -1 0 317.367 -0.113 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000647142028 392443325 /nfs/dbraw/zinc/44/33/25/392443325.db2.gz MNFRWXYWYUJTRX-QMMMGPOBSA-N -1 0 310.397 -0.798 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cn1 ZINC000290240859 131468170 /nfs/dbraw/zinc/46/81/70/131468170.db2.gz YYBXSGPYTZSXMF-UHFFFAOYSA-N -1 0 313.339 -0.655 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1=O ZINC000583433808 392531455 /nfs/dbraw/zinc/53/14/55/392531455.db2.gz MCNRRJXBOVXUMC-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM CN(C)c1nc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc(=O)[nH]1 ZINC000559008787 392474680 /nfs/dbraw/zinc/47/46/80/392474680.db2.gz FGBAAJYCLMRXEK-QMMMGPOBSA-N -1 0 318.341 -0.219 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(C)CCCC(=O)[O-])cn1 ZINC000647202553 392481581 /nfs/dbraw/zinc/48/15/81/392481581.db2.gz CCLWIDBWLFQQMQ-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc1F ZINC000040699451 392483159 /nfs/dbraw/zinc/48/31/59/392483159.db2.gz UZYYOTTVISZRLJ-VIFPVBQESA-N -1 0 307.299 -0.052 20 0 DBADRM CCCC(=O)NCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000358215699 392497496 /nfs/dbraw/zinc/49/74/96/392497496.db2.gz WMXDAGPJSPCMEQ-UHFFFAOYSA-N -1 0 321.384 -0.236 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000427729563 392552538 /nfs/dbraw/zinc/55/25/38/392552538.db2.gz VNVWPAUQLVGVHT-UHFFFAOYSA-N -1 0 318.355 -0.756 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000168824398 392570232 /nfs/dbraw/zinc/57/02/32/392570232.db2.gz KTUFIEFCOQSOCW-MRVPVSSYSA-N -1 0 305.312 -0.895 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000168813733 392570382 /nfs/dbraw/zinc/57/03/82/392570382.db2.gz BZVKGYQRIPVUNK-ZETCQYMHSA-N -1 0 305.312 -0.895 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)[O-] ZINC000168823543 392570770 /nfs/dbraw/zinc/57/07/70/392570770.db2.gz MJRKNWHBDWFNSF-QMMMGPOBSA-N -1 0 319.339 -0.289 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CCCS(C)(=O)=O ZINC000643850666 392573207 /nfs/dbraw/zinc/57/32/07/392573207.db2.gz XJWWJDQXVPXJPC-GFCCVEGCSA-N -1 0 307.368 -0.097 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CN1CSCC1=O ZINC000643847758 392573348 /nfs/dbraw/zinc/57/33/48/392573348.db2.gz OHCVSOFFFQTOFU-LBPRGKRZSA-N -1 0 302.352 -0.389 20 0 DBADRM COC(=O)[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)OC ZINC000291819679 131602239 /nfs/dbraw/zinc/60/22/39/131602239.db2.gz CIOKXPQKJAHSPY-SECBINFHSA-N -1 0 320.323 -0.810 20 0 DBADRM NC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000647481294 392592130 /nfs/dbraw/zinc/59/21/30/392592130.db2.gz AIMBSVRNMVJFTJ-SNVBAGLBSA-N -1 0 320.305 -0.408 20 0 DBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N(C)CC(=O)[O-] ZINC000153116383 392594794 /nfs/dbraw/zinc/59/47/94/392594794.db2.gz GRHNBRMRRTUCDC-UHFFFAOYSA-N -1 0 306.322 -0.036 20 0 DBADRM Cc1cc(=NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)[nH]n1C ZINC000647485369 392594942 /nfs/dbraw/zinc/59/49/42/392594942.db2.gz SXEGJGCRQYUECV-UHFFFAOYSA-N -1 0 308.338 -0.198 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000647484299 392595280 /nfs/dbraw/zinc/59/52/80/392595280.db2.gz JDDGSYSGMMUKTD-UHFFFAOYSA-N -1 0 319.317 -0.108 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1cccc2c1OCC(=O)N2)C(=O)[O-] ZINC000647489451 392596711 /nfs/dbraw/zinc/59/67/11/392596711.db2.gz DJKUJMXSDKYTBF-ZETCQYMHSA-N -1 0 321.289 -0.065 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1cccc(C(=O)NC)c1)C(=O)[O-] ZINC000647487950 392596829 /nfs/dbraw/zinc/59/68/29/392596829.db2.gz KVGNAROJKDKFNB-JTQLQIEISA-N -1 0 307.306 -0.036 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C[C@H]2CCCCO2)CCS1(=O)=O ZINC000424231669 392665073 /nfs/dbraw/zinc/66/50/73/392665073.db2.gz BKFUJOCESOKJSW-ZJUUUORDSA-N -1 0 305.352 -0.344 20 0 DBADRM C[C@@H]1C[C@H](C)[C@H](C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)O1 ZINC000424256289 392666864 /nfs/dbraw/zinc/66/68/64/392666864.db2.gz JCBVSZMDBVKLIV-SGIHWFKDSA-N -1 0 305.352 -0.490 20 0 DBADRM CCC[C@@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)OC ZINC000424397307 392668318 /nfs/dbraw/zinc/66/83/18/392668318.db2.gz JOWZXULVWSAGDK-VHSXEESVSA-N -1 0 322.383 -0.305 20 0 DBADRM CC[C@H](C)CS(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424367480 392668495 /nfs/dbraw/zinc/66/84/95/392668495.db2.gz MGPFPUNBEVUTBC-IUCAKERBSA-N -1 0 313.397 -0.454 20 0 DBADRM CC[C@@H](COC)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424406954 392670258 /nfs/dbraw/zinc/67/02/58/392670258.db2.gz KCXBMSFCRBHIFY-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM Cc1nc2ccc(N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)nn2n1 ZINC000424477066 392670685 /nfs/dbraw/zinc/67/06/85/392670685.db2.gz VDXFCKKIOSXTKQ-MRVPVSSYSA-N -1 0 311.323 -0.879 20 0 DBADRM CC(C)Oc1cc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)ncn1 ZINC000424481198 392670744 /nfs/dbraw/zinc/67/07/44/392670744.db2.gz ZDXCDVOMQGADAN-SECBINFHSA-N -1 0 315.351 -0.048 20 0 DBADRM CC1(C)COC[C@H]1NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424400178 392670811 /nfs/dbraw/zinc/67/08/11/392670811.db2.gz SWCFSYOIAHYDOP-DTWKUNHWSA-N -1 0 320.367 -0.695 20 0 DBADRM O=C([O-])[C@@H]1CN(c2cc(NC3CC3)ncn2)CCS1(=O)=O ZINC000424468071 392672440 /nfs/dbraw/zinc/67/24/40/392672440.db2.gz IJZVBZVJTLLWKF-VIFPVBQESA-N -1 0 312.351 -0.261 20 0 DBADRM CCc1nnc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)nc1CC ZINC000424469963 392672463 /nfs/dbraw/zinc/67/24/63/392672463.db2.gz LCLVHZQYEVYJCW-JTQLQIEISA-N -1 0 314.367 -0.316 20 0 DBADRM CN1CC[C@@H](C(=O)N=c2ccc(C(F)(F)F)n[n-]2)S1(=O)=O ZINC000648349953 392676991 /nfs/dbraw/zinc/67/69/91/392676991.db2.gz JFWGUUXCUQOFAZ-LURJTMIESA-N -1 0 324.284 -0.110 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647503743 392620380 /nfs/dbraw/zinc/62/03/80/392620380.db2.gz GMLGUBOAUZCYLK-JTQLQIEISA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)[C@@H]1CO ZINC000647504301 392623581 /nfs/dbraw/zinc/62/35/81/392623581.db2.gz PSEHZKMDASUQDU-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H](O)C2CC2)C[C@H]1C(=O)[O-] ZINC000647506374 392626382 /nfs/dbraw/zinc/62/63/82/392626382.db2.gz RMJYZDBJDUSXAP-YUSALJHKSA-N -1 0 312.366 -0.215 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1c1ncnc2c1CCC2 ZINC000644168832 392626422 /nfs/dbraw/zinc/62/64/22/392626422.db2.gz CLRRMETVZWTOFT-SECBINFHSA-N -1 0 302.294 -0.264 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](F)(CO)C2)C[C@@H]1C(=O)[O-] ZINC000647505871 392626541 /nfs/dbraw/zinc/62/65/41/392626541.db2.gz LBALMSAWOMMUFR-ISTVAULSSA-N -1 0 316.329 -0.512 20 0 DBADRM CN1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1=O ZINC000647509012 392627660 /nfs/dbraw/zinc/62/76/60/392627660.db2.gz FNTOAZWMSGZYAB-UHFFFAOYSA-N -1 0 311.338 -1.000 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)NCc3ccoc3)cc-2c(=O)[n-]1 ZINC000176678934 392637843 /nfs/dbraw/zinc/63/78/43/392637843.db2.gz OZBMYQFDJSEDKU-UHFFFAOYSA-N -1 0 322.302 -0.317 20 0 DBADRM CCOCCCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647577680 392646340 /nfs/dbraw/zinc/64/63/40/392646340.db2.gz MNGAXFMHWCMAKD-UHFFFAOYSA-N -1 0 316.354 -0.473 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCCn2cncn2)C[C@H]1C(=O)[O-] ZINC000647579597 392647767 /nfs/dbraw/zinc/64/77/67/392647767.db2.gz BZAOMJNYEISRQR-WDEREUQCSA-N -1 0 323.353 -0.646 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCCc2ccco2)CCOCC1 ZINC000647578543 392647837 /nfs/dbraw/zinc/64/78/37/392647837.db2.gz RMZWFMJZDNIALC-UHFFFAOYSA-N -1 0 324.333 -0.064 20 0 DBADRM CC[C@@H](COC)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647579903 392647967 /nfs/dbraw/zinc/64/79/67/392647967.db2.gz UBBMCAYJORVVAJ-JTQLQIEISA-N -1 0 316.354 -0.475 20 0 DBADRM CC(C)C(=O)NCCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647578896 392648053 /nfs/dbraw/zinc/64/80/53/392648053.db2.gz ZPEYFHOYWAOJJR-VHSXEESVSA-N -1 0 313.354 -0.756 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)C1 ZINC000647584211 392648061 /nfs/dbraw/zinc/64/80/61/392648061.db2.gz XEMNQWPBYSBDJK-MIMYLULJSA-N -1 0 320.349 -0.247 20 0 DBADRM CC[C@@]1(CO)CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000647590280 392649250 /nfs/dbraw/zinc/64/92/50/392649250.db2.gz FJHGGUDLMIAEIT-CQSZACIVSA-N -1 0 300.355 -0.022 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CO1 ZINC000647590296 392649311 /nfs/dbraw/zinc/64/93/11/392649311.db2.gz GFJKVLRQDUGRSH-NXEZZACHSA-N -1 0 314.338 -0.722 20 0 DBADRM CCn1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC000647588886 392649390 /nfs/dbraw/zinc/64/93/90/392649390.db2.gz MQNMAFQHLGKITD-VHSXEESVSA-N -1 0 308.338 -0.111 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000647589094 392649396 /nfs/dbraw/zinc/64/93/96/392649396.db2.gz XBNPLMFBADZZKM-URLYPYJESA-N -1 0 310.350 -0.101 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)OC ZINC000647588102 392649428 /nfs/dbraw/zinc/64/94/28/392649428.db2.gz FUVFPJWXSJFKKP-SNVBAGLBSA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)CC(F)F ZINC000647589826 392649619 /nfs/dbraw/zinc/64/96/19/392649619.db2.gz DBCKASVCGVKRMO-YUMQZZPRSA-N -1 0 308.281 -0.294 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)CC(F)F ZINC000647589823 392649698 /nfs/dbraw/zinc/64/96/98/392649698.db2.gz DBCKASVCGVKRMO-HTQZYQBOSA-N -1 0 308.281 -0.294 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000647593069 392651080 /nfs/dbraw/zinc/65/10/80/392651080.db2.gz ZPUFFCSPSHFJKJ-LMLFDSFASA-N -1 0 323.349 -0.907 20 0 DBADRM CCN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1=O ZINC000647591703 392651113 /nfs/dbraw/zinc/65/11/13/392651113.db2.gz HQVJMFLQYPWHMB-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647591616 392651183 /nfs/dbraw/zinc/65/11/83/392651183.db2.gz FIUBUKZHGKGKRX-QCNOEVLYSA-N -1 0 312.366 -0.025 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](CCCO)C2)C1 ZINC000647593200 392652194 /nfs/dbraw/zinc/65/21/94/392652194.db2.gz CWADQANLGVPISC-SDDRHHMPSA-N -1 0 312.366 -0.023 20 0 DBADRM COCCS(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000647624268 392657423 /nfs/dbraw/zinc/65/74/23/392657423.db2.gz WVFJQTXTWHNYFH-SECBINFHSA-N -1 0 318.355 -0.411 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C)C1CC1 ZINC000647642889 392664085 /nfs/dbraw/zinc/66/40/85/392664085.db2.gz WFGYUELYKISNOI-QWRGUYRKSA-N -1 0 317.367 -0.110 20 0 DBADRM CCC[C@H](NC(=O)[C@H]1Cn2c(C)nnc2CN1C)c1nnn[n-]1 ZINC000644383696 392735859 /nfs/dbraw/zinc/73/58/59/392735859.db2.gz KJDAWFORAXRATM-VHSXEESVSA-N -1 0 319.373 -0.429 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c[nH]1 ZINC000274958237 292003755 /nfs/dbraw/zinc/00/37/55/292003755.db2.gz BCROZADIVMIFQS-VIFPVBQESA-N -1 0 318.307 -0.725 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N=c1nc2ccccn2[n-]1 ZINC000647746013 392836977 /nfs/dbraw/zinc/83/69/77/392836977.db2.gz KUWQKSKVZORFCS-UHFFFAOYSA-N -1 0 302.294 -0.580 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647744954 392837520 /nfs/dbraw/zinc/83/75/20/392837520.db2.gz MZLLVRDFBUMICA-UHFFFAOYSA-N -1 0 309.282 -0.763 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)[C@@]23CCC(=O)N2CCS3)cn1 ZINC000647747441 392838466 /nfs/dbraw/zinc/83/84/66/392838466.db2.gz HJXKMJQAOMPKHC-LBPRGKRZSA-N -1 0 310.335 -0.028 20 0 DBADRM C[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000647755330 392841142 /nfs/dbraw/zinc/84/11/42/392841142.db2.gz AKDDFRREDXDRAE-DTWKUNHWSA-N -1 0 306.384 -0.117 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)OC)C1 ZINC000491796812 392799018 /nfs/dbraw/zinc/79/90/18/392799018.db2.gz HWZDQPTXIJHMQP-VIFPVBQESA-N -1 0 307.372 -0.223 20 0 DBADRM O=C(NC1CN(C(=O)OCc2ccccc2)C1)c1cc(=O)[nH][n-]1 ZINC000497254603 392805382 /nfs/dbraw/zinc/80/53/82/392805382.db2.gz VVXOYZHLWDRUKR-UHFFFAOYSA-N -1 0 316.317 -0.001 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)NCCNS(=O)(=O)CC ZINC000390419890 392808091 /nfs/dbraw/zinc/80/80/91/392808091.db2.gz YTARDMGNXQZFIY-VIFPVBQESA-N -1 0 309.388 -0.180 20 0 DBADRM O=C([O-])CCNC(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC000647727026 392825415 /nfs/dbraw/zinc/82/54/15/392825415.db2.gz BWIWDALHRDQLRS-UHFFFAOYSA-N -1 0 304.299 -0.305 20 0 DBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)CC2CCCCC2)c1=O ZINC000184882627 392825822 /nfs/dbraw/zinc/82/58/22/392825822.db2.gz LLGXYSYLNKXBFP-UHFFFAOYSA-N -1 0 316.383 -0.392 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000021057868 392828763 /nfs/dbraw/zinc/82/87/63/392828763.db2.gz ASORQAAKPDPLHO-SECBINFHSA-N -1 0 313.339 -0.276 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N1CCSC[C@H]1C(=O)[O-] ZINC000215148029 392828935 /nfs/dbraw/zinc/82/89/35/392828935.db2.gz RKKQNNJJVXQGIH-QMMMGPOBSA-N -1 0 310.397 -0.367 20 0 DBADRM C[C@@H]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@@H]1C(=O)[O-] ZINC000647743521 392835954 /nfs/dbraw/zinc/83/59/54/392835954.db2.gz LNKJITRZLISTSU-BBBLOLIVSA-N -1 0 304.368 -0.268 20 0 DBADRM CC(C)C[C@H](CNC(=O)[C@H]1CCN(C)S1(=O)=O)C(=O)[O-] ZINC000647743570 392836063 /nfs/dbraw/zinc/83/60/63/392836063.db2.gz NHECXBLUKKWNSG-NXEZZACHSA-N -1 0 306.384 -0.117 20 0 DBADRM CC(C)c1nc(S(=O)(=O)NCCCCS(N)(=O)=O)c[nH]1 ZINC000645091977 392886591 /nfs/dbraw/zinc/88/65/91/392886591.db2.gz CUIUKEJXCNUBEX-UHFFFAOYSA-N -1 0 324.428 -0.120 20 0 DBADRM CCN(CC(=O)[O-])C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000262423596 392900733 /nfs/dbraw/zinc/90/07/33/392900733.db2.gz NJUBKKKEUCOOOD-UHFFFAOYSA-N -1 0 313.335 -0.583 20 0 DBADRM CN1CC[C@H](C(=O)N2CCC(C)(C(=O)[O-])CC2)S1(=O)=O ZINC000647763336 392850459 /nfs/dbraw/zinc/85/04/59/392850459.db2.gz ZBVNWDUNYZLVPP-SECBINFHSA-N -1 0 304.368 -0.266 20 0 DBADRM O=C([O-])C1(CNC(=O)c2ccc3nnnn3c2)CCOCC1 ZINC000647766211 392850723 /nfs/dbraw/zinc/85/07/23/392850723.db2.gz OECLBFILWIVMIN-UHFFFAOYSA-N -1 0 305.294 -0.265 20 0 DBADRM O=c1nc(CCNS(=O)(=O)CCC2CCOCC2)[n-]o1 ZINC000644876539 392851660 /nfs/dbraw/zinc/85/16/60/392851660.db2.gz JEPPGHYDEMRYCF-UHFFFAOYSA-N -1 0 305.356 -0.359 20 0 DBADRM Cc1ccn(CC(=O)N[C@H](C(=O)[O-])c2ccnn2C)c(=O)c1 ZINC000647769461 392859169 /nfs/dbraw/zinc/85/91/69/392859169.db2.gz YKLWHIDGPOATJL-ZDUSSCGKSA-N -1 0 304.306 -0.168 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)n1 ZINC000647780811 392876646 /nfs/dbraw/zinc/87/66/46/392876646.db2.gz OMRPSLFWWXLEAW-JTQLQIEISA-N -1 0 321.337 -0.050 20 0 DBADRM C[C@@H]1CN(CC(=O)[N-]OCc2ccccc2)C[C@@H](C(N)=O)O1 ZINC000271380587 392930962 /nfs/dbraw/zinc/93/09/62/392930962.db2.gz OVAQRZONAXDPMX-YPMHNXCESA-N -1 0 307.350 -0.191 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000297146093 132001837 /nfs/dbraw/zinc/00/18/37/132001837.db2.gz IMLCFGRIESJZTM-UHFFFAOYSA-N -1 0 323.334 -0.195 20 0 DBADRM CC(C)(CO)ONC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000297271848 132007025 /nfs/dbraw/zinc/00/70/25/132007025.db2.gz SCPSGWXWOBRMKC-UHFFFAOYSA-N -1 0 321.333 -0.101 20 0 DBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCNC(=O)C2)c1F ZINC000273739686 392937356 /nfs/dbraw/zinc/93/73/56/392937356.db2.gz LRZYHMUXFHJLHU-UHFFFAOYSA-N -1 0 316.310 -0.047 20 0 DBADRM NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ncc[nH]2)c1 ZINC000647922777 392934745 /nfs/dbraw/zinc/93/47/45/392934745.db2.gz AYLSHRWXNBXHFB-UHFFFAOYSA-N -1 0 316.364 -0.001 20 0 DBADRM CO[N-]C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O ZINC000298103246 132046867 /nfs/dbraw/zinc/04/68/67/132046867.db2.gz NCODQXAOCINSLT-GXSJLCMTSA-N -1 0 302.352 -0.300 20 0 DBADRM NC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2ncc[nH]2)c1 ZINC000647921872 392934936 /nfs/dbraw/zinc/93/49/36/392934936.db2.gz SFIIOVKXCBYFHK-UHFFFAOYSA-N -1 0 323.334 -0.574 20 0 DBADRM CS(=O)(=O)c1cccc(S(=O)(=O)NC2(C(=O)[O-])CC2)c1 ZINC000298216361 132050740 /nfs/dbraw/zinc/05/07/40/132050740.db2.gz OHLNXNDAKLFWMY-UHFFFAOYSA-N -1 0 319.360 -0.014 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1c(C)cnn1C ZINC000647927348 392936494 /nfs/dbraw/zinc/93/64/94/392936494.db2.gz KQJUIOYQCCFBAH-LBPRGKRZSA-N -1 0 317.367 -0.017 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NS(=O)(=O)[C@@H]1CCOC1 ZINC000647928463 392937652 /nfs/dbraw/zinc/93/76/52/392937652.db2.gz MSPJZWCVIQJCKQ-GHMZBOCLSA-N -1 0 300.336 -0.214 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c1 ZINC000647928377 392937774 /nfs/dbraw/zinc/93/77/74/392937774.db2.gz KGNBTRWHLNKKRU-JTQLQIEISA-N -1 0 310.335 -0.211 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cnn(C)c1 ZINC000647928504 392938061 /nfs/dbraw/zinc/93/80/61/392938061.db2.gz NRNSSENZFHGYSG-NSHDSACASA-N -1 0 303.340 -0.326 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)Cc2ccon2)C1 ZINC000274950500 392940429 /nfs/dbraw/zinc/94/04/29/392940429.db2.gz HUSFQFMJUUICBS-MRVPVSSYSA-N -1 0 317.323 -0.973 20 0 DBADRM CS(=O)(=O)NCCNC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000040578723 132144652 /nfs/dbraw/zinc/14/46/52/132144652.db2.gz LSSKMJKCEJQRKK-UHFFFAOYSA-N -1 0 315.351 -0.267 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](N=c2ncnc3[nH][nH]cc2-3)C1=O ZINC000416438215 393006403 /nfs/dbraw/zinc/00/64/03/393006403.db2.gz AHJJSXQTYUKSQA-ZJUUUORDSA-N -1 0 318.337 -0.152 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2ccnc(C(N)=O)c2)C1=O ZINC000416439274 393006827 /nfs/dbraw/zinc/00/68/27/393006827.db2.gz BPVTYKKJMZBDCI-PWSUYJOCSA-N -1 0 320.349 -0.276 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)N(C)C)C1=O ZINC000417446896 393047159 /nfs/dbraw/zinc/04/71/59/393047159.db2.gz NMUWEYJRFSNYKW-IUCAKERBSA-N -1 0 307.372 -0.908 20 0 DBADRM COCCNC(=O)CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000348808504 393171277 /nfs/dbraw/zinc/17/12/77/393171277.db2.gz JBXXIBQSKKBXAI-UHFFFAOYSA-N -1 0 320.305 -0.478 20 0 DBADRM C[C@@]12CCC(=O)N1[C@H](C(=O)NC1(c3nnn[n-]3)CC1)CS2 ZINC000348296355 393139618 /nfs/dbraw/zinc/13/96/18/393139618.db2.gz FWJGEDWLKVQTET-WRWORJQWSA-N -1 0 308.367 -0.241 20 0 DBADRM CCCc1nc(=NC(=O)NCCCNS(C)(=O)=O)s[n-]1 ZINC000350906141 393257081 /nfs/dbraw/zinc/25/70/81/393257081.db2.gz ZDFSJYNFAUKHOW-UHFFFAOYSA-N -1 0 321.428 -0.027 20 0 DBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccsc2)n1 ZINC000350143704 393232773 /nfs/dbraw/zinc/23/27/73/393232773.db2.gz PFXPIMAXUZCSII-UHFFFAOYSA-N -1 0 301.353 -0.114 20 0 DBADRM COc1ccnc(CS(=O)(=O)c2n[nH]c(=O)[n-]2)c1OC ZINC000350217411 393235191 /nfs/dbraw/zinc/23/51/91/393235191.db2.gz HOAPMGJUBXWRJY-UHFFFAOYSA-N -1 0 300.296 -0.104 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)N[C@@H]2CCC(=O)NC2=O)s[n-]1 ZINC000350665521 393243327 /nfs/dbraw/zinc/24/33/27/393243327.db2.gz DFINJOSTACBCLZ-NTSWFWBYSA-N -1 0 313.339 -0.406 20 0 DBADRM COc1ccc(C(=O)NCC(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC000349052811 393186092 /nfs/dbraw/zinc/18/60/92/393186092.db2.gz YCHTWMDEYNFICD-CQSZACIVSA-N -1 0 310.306 -0.623 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)NCCCc1ccccc1)C(=O)[O-] ZINC000349045619 393186285 /nfs/dbraw/zinc/18/62/85/393186285.db2.gz ITQZAORPPWSFPO-OAHLLOKOSA-N -1 0 308.334 -0.313 20 0 DBADRM Cc1nc(=NC(=O)C(=O)N2CCCCC[C@@H]2CCO)[n-]n1C ZINC000340438042 393193191 /nfs/dbraw/zinc/19/31/91/393193191.db2.gz BQKFPZDDIHMDAJ-LLVKDONJSA-N -1 0 309.370 -0.362 20 0 DBADRM CC(=O)N1CC(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)C1 ZINC000351655348 393297077 /nfs/dbraw/zinc/29/70/77/393297077.db2.gz JGMIKISTUMGVLF-UHFFFAOYSA-N -1 0 319.368 -0.674 20 0 DBADRM COCCc1nc(CSc2n[n-]c3nc(=O)c(C)nn32)no1 ZINC000351653101 393297481 /nfs/dbraw/zinc/29/74/81/393297481.db2.gz VBDZKJPVYULNGD-UHFFFAOYSA-N -1 0 323.338 -0.015 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)NCc3ccno3)cc-2c(=O)[n-]1 ZINC000351917880 393327693 /nfs/dbraw/zinc/32/76/93/393327693.db2.gz FEBDMMJFBIEMLN-UHFFFAOYSA-N -1 0 323.290 -0.098 20 0 DBADRM C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)[N-]CC(F)(F)F ZINC000192016330 393266051 /nfs/dbraw/zinc/26/60/51/393266051.db2.gz OOYZEYUWWZMBJF-RNFRBKRXSA-N -1 0 303.306 -0.031 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NC[C@@]1(CCO)CCOC1 ZINC000192026921 393266132 /nfs/dbraw/zinc/26/61/32/393266132.db2.gz WIQNJFSKGDVVOL-MRVPVSSYSA-N -1 0 306.306 -0.238 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000352527018 393382697 /nfs/dbraw/zinc/38/26/97/393382697.db2.gz VHGPVOZEXPWKHW-LBPRGKRZSA-N -1 0 319.317 -0.262 20 0 DBADRM COc1n[nH]c(NC(=O)c2ccc(CS(N)(=O)=O)cc2)n1 ZINC000352642269 393393042 /nfs/dbraw/zinc/39/30/42/393393042.db2.gz DEMNNBKDUMRRKZ-UHFFFAOYSA-N -1 0 311.323 -0.146 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)Nc2nc(OC)n[nH]2)C1=O ZINC000352642076 393393942 /nfs/dbraw/zinc/39/39/42/393393942.db2.gz BYGPBBOGUNDHHI-UHFFFAOYSA-N -1 0 310.314 -0.138 20 0 DBADRM COc1n[nH]c(NC(=O)COCC(=O)NCc2cccnc2)n1 ZINC000352647775 393393962 /nfs/dbraw/zinc/39/39/62/393393962.db2.gz QNMIORADRFQRDE-UHFFFAOYSA-N -1 0 320.309 -0.520 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000352472942 393377903 /nfs/dbraw/zinc/37/79/03/393377903.db2.gz MHZDHZJGFBLZHF-VIFPVBQESA-N -1 0 303.388 -0.168 20 0 DBADRM O=C(CN1CCOC[C@@H]1C(=O)[O-])NCc1ccc2c(c1)OCO2 ZINC000648426783 393471548 /nfs/dbraw/zinc/47/15/48/393471548.db2.gz XPHXUJZZLXCMRG-LLVKDONJSA-N -1 0 322.317 -0.183 20 0 DBADRM NS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC000040384456 393503538 /nfs/dbraw/zinc/50/35/38/393503538.db2.gz FHYGHLSYYPWDHC-UHFFFAOYSA-N -1 0 316.364 -0.001 20 0 DBADRM NS(=O)(=O)c1cc(F)cc([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC000040385433 393504060 /nfs/dbraw/zinc/50/40/60/393504060.db2.gz AYXJOOYIDMSCJM-UHFFFAOYSA-N -1 0 320.327 -0.003 20 0 DBADRM CCc1nnsc1C(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424230487 393634649 /nfs/dbraw/zinc/63/46/49/393634649.db2.gz ABHOTPCNJPQHAA-ZCFIWIBFSA-N -1 0 324.322 -0.493 20 0 DBADRM CC(C)n1ccc(C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])n1 ZINC000424233077 393634880 /nfs/dbraw/zinc/63/48/80/393634880.db2.gz PAOPAVJWWVANNF-VIFPVBQESA-N -1 0 320.309 -0.130 20 0 DBADRM Cc1ccc(C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])n1C ZINC000424233926 393636110 /nfs/dbraw/zinc/63/61/10/393636110.db2.gz QLEQAPHMJHRWJP-SECBINFHSA-N -1 0 305.294 -0.260 20 0 DBADRM C[C@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C(=O)[O-] ZINC000424272334 393636321 /nfs/dbraw/zinc/63/63/21/393636321.db2.gz ZRVLUPRIXNFWGT-JOYOIKCWSA-N -1 0 323.353 -0.308 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1Cc1c[nH]c2nccnc12 ZINC000424409499 393639458 /nfs/dbraw/zinc/63/94/58/393639458.db2.gz GSAQDNHLONCDLJ-MRVPVSSYSA-N -1 0 315.293 -0.324 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCn1ccnc1)C(=O)[O-] ZINC000424466662 393640719 /nfs/dbraw/zinc/64/07/19/393640719.db2.gz LKIMSHRYDYXSPL-LLVKDONJSA-N -1 0 310.354 -0.138 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CCC[C@](C)(O)C1)C(=O)[O-] ZINC000424483791 393643463 /nfs/dbraw/zinc/64/34/63/393643463.db2.gz RIQSBMJKAWUULT-AWEZNQCLSA-N -1 0 300.355 -0.023 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424482277 393643488 /nfs/dbraw/zinc/64/34/88/393643488.db2.gz MQEUHNSSYGCYTR-JTQLQIEISA-N -1 0 315.370 -0.556 20 0 DBADRM CCN1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC1=O ZINC000424482756 393643565 /nfs/dbraw/zinc/64/35/65/393643565.db2.gz NXIYROGPMKXHER-UHFFFAOYSA-N -1 0 313.354 -0.706 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C[C@H]1OC ZINC000424483420 393643622 /nfs/dbraw/zinc/64/36/22/393643622.db2.gz QINQMRSEAFFHCU-NXEZZACHSA-N -1 0 316.354 -0.524 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1CCC[C@@H]1CO)C(=O)[O-] ZINC000424480134 393643627 /nfs/dbraw/zinc/64/36/27/393643627.db2.gz CNSXMEFPWNRDDO-SNVBAGLBSA-N -1 0 300.355 -0.023 20 0 DBADRM CO[C@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C[C@@H]1OC ZINC000424483421 393644093 /nfs/dbraw/zinc/64/40/93/393644093.db2.gz QINQMRSEAFFHCU-UWVGGRQHSA-N -1 0 316.354 -0.524 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CO)C(=O)[O-] ZINC000424476980 393644199 /nfs/dbraw/zinc/64/41/99/393644199.db2.gz DQSYWLNMDJPINY-WDEREUQCSA-N -1 0 300.355 -0.167 20 0 DBADRM COc1ccnc(CNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000424479288 393644259 /nfs/dbraw/zinc/64/42/59/393644259.db2.gz DSHWUWFVYOEZPI-CQSZACIVSA-N -1 0 322.321 -0.575 20 0 DBADRM COc1ccnc(CNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000424476828 393644353 /nfs/dbraw/zinc/64/43/53/393644353.db2.gz AZGVEGSFXXGSGD-VIFPVBQESA-N -1 0 322.321 -0.575 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1C[C@@H](O)C[C@@H]1C)C(=O)[O-] ZINC000424487540 393645224 /nfs/dbraw/zinc/64/52/24/393645224.db2.gz ICKDWKWQRYVBJF-UWVGGRQHSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424502343 393645225 /nfs/dbraw/zinc/64/52/25/393645225.db2.gz NQRSLCQCKJWJTM-QMMMGPOBSA-N -1 0 322.383 -0.847 20 0 DBADRM CN(C)C(=O)CCCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424522628 393646550 /nfs/dbraw/zinc/64/65/50/393646550.db2.gz RYSYGLLTKCUZBG-UHFFFAOYSA-N -1 0 315.370 -0.412 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000424745764 393652462 /nfs/dbraw/zinc/65/24/62/393652462.db2.gz ZYYLLPAUQRFOPI-KPWVOAKYSA-N -1 0 324.358 -0.276 20 0 DBADRM CCOC(=O)Cn1cnc(=NC(=O)N=c2cc(C)n(C)[nH]2)[n-]1 ZINC000425704613 393656818 /nfs/dbraw/zinc/65/68/18/393656818.db2.gz SNQRWHREJRZBFQ-UHFFFAOYSA-N -1 0 307.314 -0.629 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)nn1 ZINC000426699305 393672221 /nfs/dbraw/zinc/67/22/21/393672221.db2.gz HSYSSQXWICNVKC-NSHDSACASA-N -1 0 303.278 -0.681 20 0 DBADRM CC(=O)N[C@H]1CCCN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000428341359 393673025 /nfs/dbraw/zinc/67/30/25/393673025.db2.gz WJHGFFYDMYAQAQ-QMMMGPOBSA-N -1 0 303.306 -0.016 20 0 DBADRM CS(=O)(=O)CCCNS(=O)(=O)CCCCCC(=O)[O-] ZINC000645954728 393735519 /nfs/dbraw/zinc/73/55/19/393735519.db2.gz XZPZTKIIKGXVEE-UHFFFAOYSA-N -1 0 315.413 -0.015 20 0 DBADRM Cc1noc(CCCNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])n1 ZINC000645963201 393736796 /nfs/dbraw/zinc/73/67/96/393736796.db2.gz AGALKIBJRZLSOY-SECBINFHSA-N -1 0 318.355 -0.306 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@@H](C)O1 ZINC000645987653 393738809 /nfs/dbraw/zinc/73/88/09/393738809.db2.gz SZWSHMLGVFIKFV-NXEZZACHSA-N -1 0 310.372 -0.627 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-])C1CC1 ZINC000646042333 393742676 /nfs/dbraw/zinc/74/26/76/393742676.db2.gz GPNSBHKZBCBYMD-QWRGUYRKSA-N -1 0 307.368 -0.083 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CCOC[C@H]1CC(=O)[O-])C1CC1 ZINC000646042332 393742801 /nfs/dbraw/zinc/74/28/01/393742801.db2.gz GPNSBHKZBCBYMD-MNOVXSKESA-N -1 0 307.368 -0.083 20 0 DBADRM CCn1nccc1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000471919380 393745771 /nfs/dbraw/zinc/74/57/71/393745771.db2.gz OUMIOXUSLWIMAW-UHFFFAOYSA-N -1 0 312.355 -0.224 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646168772 393755600 /nfs/dbraw/zinc/75/56/00/393755600.db2.gz QYTMRFSXAKVKGJ-HZMBPMFUSA-N -1 0 316.354 -0.293 20 0 DBADRM O=C(CNC(=O)c1cccc(O)c1)NCCCc1n[nH]c(=O)[n-]1 ZINC000429291456 393690275 /nfs/dbraw/zinc/69/02/75/393690275.db2.gz GMFJWSZWGAPABD-UHFFFAOYSA-N -1 0 319.321 -0.305 20 0 DBADRM CS(=O)(=O)CC1(CNS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000195334328 393729503 /nfs/dbraw/zinc/72/95/03/393729503.db2.gz JQQFQNVJQCWTDV-UHFFFAOYSA-N -1 0 324.346 -0.203 20 0 DBADRM COCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000487456547 393767619 /nfs/dbraw/zinc/76/76/19/393767619.db2.gz TZTKDDIRODDYCY-UHFFFAOYSA-N -1 0 300.296 -0.639 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CCCNC(=O)OC ZINC000491499748 393816801 /nfs/dbraw/zinc/81/68/01/393816801.db2.gz XLAJWJVFLSNTBG-UHFFFAOYSA-N -1 0 324.355 -0.478 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)NCCC(=O)[O-])CC12COC2 ZINC000414614560 285942155 /nfs/dbraw/zinc/94/21/55/285942155.db2.gz UDAAEUSAFHUZEI-SECBINFHSA-N -1 0 300.311 -0.318 20 0 DBADRM CCOCCS(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000262433270 286116666 /nfs/dbraw/zinc/11/66/66/286116666.db2.gz ORKPEULJDYDNKC-SECBINFHSA-N -1 0 310.372 -0.736 20 0 DBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000262428000 286645222 /nfs/dbraw/zinc/64/52/22/286645222.db2.gz RLJWYSSONWENPB-WDEREUQCSA-N -1 0 318.395 -0.020 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000262198456 286646740 /nfs/dbraw/zinc/64/67/40/286646740.db2.gz OHIFZDXWPNEVER-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000262958651 286647900 /nfs/dbraw/zinc/64/79/00/286647900.db2.gz IUGKOKHLQZFIOC-GFCCVEGCSA-N -1 0 306.384 -0.019 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263478816 286672123 /nfs/dbraw/zinc/67/21/23/286672123.db2.gz ZYPFSAOJIKUZEA-JOYOIKCWSA-N -1 0 304.368 -0.361 20 0 DBADRM CC[C@@H](CS(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])OC ZINC000263093768 286852584 /nfs/dbraw/zinc/85/25/84/286852584.db2.gz JCOMAMGTJHVSSI-KOLCDFICSA-N -1 0 324.399 -0.348 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2c([O-])cc(F)cc2F)CC1=O ZINC000655228975 411632806 /nfs/dbraw/zinc/63/28/06/411632806.db2.gz ZHXLBIMMSWQQLL-UHFFFAOYSA-N -1 0 313.260 -0.560 20 0 DBADRM Cn1ncc(NS(=O)(=O)N2CCCOCC2)c1C(=O)[O-] ZINC000650193475 411636599 /nfs/dbraw/zinc/63/65/99/411636599.db2.gz ZXEKCUFRPLZRBQ-UHFFFAOYSA-N -1 0 304.328 -0.503 20 0 DBADRM COC1(CS(=O)(=O)[N-]c2n[nH]cc2C(N)=O)CCOCC1 ZINC000650195772 411637388 /nfs/dbraw/zinc/63/73/88/411637388.db2.gz QBTKXLBNLIBHQZ-UHFFFAOYSA-N -1 0 318.355 -0.554 20 0 DBADRM COc1ccc(N2C(=O)C[C@@H](NCc3nnn[n-]3)C2=O)cn1 ZINC000653285439 411704491 /nfs/dbraw/zinc/70/44/91/411704491.db2.gz ONSUDGUQWPPBRD-MRVPVSSYSA-N -1 0 303.282 -0.975 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NCCCN2C(=O)CNC2=O)CC=CCC1 ZINC000653295866 411712881 /nfs/dbraw/zinc/71/28/81/411712881.db2.gz ZWVDDNHKQKQKAF-AWEZNQCLSA-N -1 0 309.322 -0.144 20 0 DBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N2CCNC(=O)C2)CC1 ZINC000662902685 411656643 /nfs/dbraw/zinc/65/66/43/411656643.db2.gz OQFXRUZMPAOJGY-UHFFFAOYSA-N -1 0 311.338 -0.952 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000564926585 411669883 /nfs/dbraw/zinc/66/98/83/411669883.db2.gz NHDVLCLKZKATIX-SFYZADRCSA-N -1 0 319.339 -0.277 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000663101872 411670308 /nfs/dbraw/zinc/67/03/08/411670308.db2.gz RIWWIRFOYYTUSH-BDAKNGLRSA-N -1 0 306.384 -0.117 20 0 DBADRM CCN1C[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1=O ZINC000391520979 411670570 /nfs/dbraw/zinc/67/05/70/411670570.db2.gz SEGFMFVDXAZFCA-JTQLQIEISA-N -1 0 313.354 -0.212 20 0 DBADRM Cc1nccc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)n1 ZINC000038037622 411680334 /nfs/dbraw/zinc/68/03/34/411680334.db2.gz QWIFSOCQAMUJFQ-UHFFFAOYSA-N -1 0 311.323 -0.455 20 0 DBADRM CNC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037838945 411680352 /nfs/dbraw/zinc/68/03/52/411680352.db2.gz WKBMHJBQEADOLI-JTQLQIEISA-N -1 0 319.383 -0.762 20 0 DBADRM Cc1nccc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC000038037633 411680620 /nfs/dbraw/zinc/68/06/20/411680620.db2.gz RNQMUTQZJGJNSR-UHFFFAOYSA-N -1 0 314.367 -0.084 20 0 DBADRM CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659054508 411687750 /nfs/dbraw/zinc/68/77/50/411687750.db2.gz WVLJBOLIZSNTSP-VIFPVBQESA-N -1 0 320.305 -0.545 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)c2nn3c(c2C)OCCC3)[n-]n1 ZINC000650819191 411690128 /nfs/dbraw/zinc/69/01/28/411690128.db2.gz LDLMDDWIKNVKAY-UHFFFAOYSA-N -1 0 316.321 -0.202 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)C[C@H]2CCOC[C@@H]2OC)[n-]n1 ZINC000650819303 411690532 /nfs/dbraw/zinc/69/05/32/411690532.db2.gz PWMXQQUEAUKPLQ-KOLCDFICSA-N -1 0 308.338 -0.362 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@H]2CCCCN2C(C)=O)[n-]n1 ZINC000650816517 411690999 /nfs/dbraw/zinc/69/09/99/411690999.db2.gz YPTVJMWSTPVHDM-NSHDSACASA-N -1 0 305.338 -0.402 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C(C)C)CC2)[n-]1 ZINC000651518659 411751117 /nfs/dbraw/zinc/75/11/17/411751117.db2.gz KTASXFBHYAJBKV-UHFFFAOYSA-N -1 0 308.386 -0.228 20 0 DBADRM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2ccn3nnnc3c2)C1 ZINC000659160274 411752288 /nfs/dbraw/zinc/75/22/88/411752288.db2.gz IFZNGBKNEIGDLI-UWVGGRQHSA-N -1 0 305.294 -0.172 20 0 DBADRM O=C(CC1(n2cnnn2)CCOCC1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659160875 411752862 /nfs/dbraw/zinc/75/28/62/411752862.db2.gz NNJZTJLDISAPPK-AOOOYVTPSA-N -1 0 309.326 -0.452 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652069590 411753329 /nfs/dbraw/zinc/75/33/29/411753329.db2.gz RNMLBRLAPJMREB-JLIMGVALSA-N -1 0 302.352 -0.610 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1ccccc1F ZINC000652062576 411753552 /nfs/dbraw/zinc/75/35/52/411753552.db2.gz OQDYAXLQZUKVSF-ZJUUUORDSA-N -1 0 316.310 -0.241 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652056994 411753815 /nfs/dbraw/zinc/75/38/15/411753815.db2.gz PMFMCRHMBJRYJB-HTQZYQBOSA-N -1 0 308.381 -0.903 20 0 DBADRM O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000652066335 411753835 /nfs/dbraw/zinc/75/38/35/411753835.db2.gz HCMRFHJHMNICBS-ZJUUUORDSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCS(=O)(=O)N1)CC2 ZINC000652065922 411753859 /nfs/dbraw/zinc/75/38/59/411753859.db2.gz QWKJPSOLFSPYQH-GFCCVEGCSA-N -1 0 324.358 -0.039 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000652070279 411753891 /nfs/dbraw/zinc/75/38/91/411753891.db2.gz QGGOKCBDVPNRMN-BXKDBHETSA-N -1 0 320.367 -0.982 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000652070280 411753947 /nfs/dbraw/zinc/75/39/47/411753947.db2.gz QGGOKCBDVPNRMN-CABZTGNLSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652055061 411754115 /nfs/dbraw/zinc/75/41/15/411754115.db2.gz TZUCGSQCLONCPN-NEPJUHHUSA-N -1 0 324.358 -0.284 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N(CC(=O)[O-])CC2CC2)ccn1 ZINC000653323930 411755224 /nfs/dbraw/zinc/75/52/24/411755224.db2.gz AFTLUSFFAHCZFR-UHFFFAOYSA-N -1 0 313.335 -0.334 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000652086071 411755653 /nfs/dbraw/zinc/75/56/53/411755653.db2.gz JKKFYPRXJALMBY-NSHDSACASA-N -1 0 315.370 -0.508 20 0 DBADRM CN1CC[C@H](C(=O)NC[C@H](CC2CC2)C(=O)[O-])S1(=O)=O ZINC000652098301 411756911 /nfs/dbraw/zinc/75/69/11/411756911.db2.gz WNYCNORINALDPY-VHSXEESVSA-N -1 0 304.368 -0.363 20 0 DBADRM CN1CC[C@H](C(=O)NC[C@@H](CC2CC2)C(=O)[O-])S1(=O)=O ZINC000652098299 411757669 /nfs/dbraw/zinc/75/76/69/411757669.db2.gz WNYCNORINALDPY-NXEZZACHSA-N -1 0 304.368 -0.363 20 0 DBADRM COC1(C[C@H](NC(=O)CN(C)S(C)(=O)=O)C(=O)[O-])CCC1 ZINC000652105507 411757773 /nfs/dbraw/zinc/75/77/73/411757773.db2.gz OZIUXYCSZNDSLA-VIFPVBQESA-N -1 0 322.383 -0.594 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-] ZINC000652109678 411758301 /nfs/dbraw/zinc/75/83/01/411758301.db2.gz NMDISRGLOZPLND-VIFPVBQESA-N -1 0 307.368 -0.050 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1C1CC1 ZINC000652129520 411759056 /nfs/dbraw/zinc/75/90/56/411759056.db2.gz HMCUNMJNSCBWPU-GARJFASQSA-N -1 0 301.364 -0.010 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@@H]2C[C@H](C)O)[n-]1 ZINC000651634743 411765842 /nfs/dbraw/zinc/76/58/42/411765842.db2.gz AHIMLADBSOZGRX-WDEREUQCSA-N -1 0 309.370 -0.019 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CN1C(=O)COc2ccccc21 ZINC000659169963 411767702 /nfs/dbraw/zinc/76/77/02/411767702.db2.gz NKVXMQQZOCIZBB-LKFCYVNXSA-N -1 0 320.301 -0.230 20 0 DBADRM CCC[C@@H]1C(=O)NCCN1C(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651724903 411770907 /nfs/dbraw/zinc/77/09/07/411770907.db2.gz LPVFPHUWEYRECI-SNVBAGLBSA-N -1 0 322.369 -0.654 20 0 DBADRM COCCOC1CN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C1 ZINC000651720606 411770952 /nfs/dbraw/zinc/77/09/52/411770952.db2.gz FMSIVTQIADTERW-UHFFFAOYSA-N -1 0 311.342 -0.907 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C)[C@@H](C)[C@H]2C)[n-]1 ZINC000651734932 411772276 /nfs/dbraw/zinc/77/22/76/411772276.db2.gz ZBAKJNAEEROPQF-WDEREUQCSA-N -1 0 308.386 -0.230 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CNC(=O)NCc1ccco1 ZINC000659173267 411773510 /nfs/dbraw/zinc/77/35/10/411773510.db2.gz RXEVXJJBHKFEAP-GXSJLCMTSA-N -1 0 311.294 -0.563 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CC3(C2)CCCOC3)[n-]1 ZINC000651806162 411775777 /nfs/dbraw/zinc/77/57/77/411775777.db2.gz VIKWZDMPSFAEEC-UHFFFAOYSA-N -1 0 307.354 -0.142 20 0 DBADRM CC[C@H]1CN(C)CCN1C(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651826755 411778384 /nfs/dbraw/zinc/77/83/84/411778384.db2.gz OWCSJYHXZFLGPE-NSHDSACASA-N -1 0 308.386 -0.228 20 0 DBADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@@H]1CCS(=O)(=O)N1 ZINC000651235852 411725841 /nfs/dbraw/zinc/72/58/41/411725841.db2.gz MEXLLEKXXQMQGU-VIFPVBQESA-N -1 0 324.318 -0.340 20 0 DBADRM NS(=O)(=O)c1ccc2c(c1)N(CCOCC(=O)[O-])CC2 ZINC000652414284 411799785 /nfs/dbraw/zinc/79/97/85/411799785.db2.gz NLNCMTPZYQOVMY-UHFFFAOYSA-N -1 0 300.336 -0.202 20 0 DBADRM CO[C@H]1C[C@H](C(=O)[O-])N(Cc2nnnn2CC(F)(F)F)C1 ZINC000652477313 411803987 /nfs/dbraw/zinc/80/39/87/411803987.db2.gz QCYOLTWMFMHKBI-NKWVEPMBSA-N -1 0 309.248 -0.091 20 0 DBADRM CCN(C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)[C@H]1CCCOC1 ZINC000652661838 411810057 /nfs/dbraw/zinc/81/00/57/411810057.db2.gz AIWCJBLYWSJZJH-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cn(C)nn2)C1 ZINC000652656104 411810397 /nfs/dbraw/zinc/81/03/97/411810397.db2.gz UTRPJMIQHYLICV-RKDXNWHRSA-N -1 0 309.326 -1.000 20 0 DBADRM CCN1C[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC1=O ZINC000652655504 411810439 /nfs/dbraw/zinc/81/04/39/411810439.db2.gz GGMISQUFCFNBIX-VHSXEESVSA-N -1 0 313.354 -0.850 20 0 DBADRM C[C@H](CO)C1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC000652653057 411810554 /nfs/dbraw/zinc/81/05/54/411810554.db2.gz DVUGYXRBMJKSAT-SNVBAGLBSA-N -1 0 300.355 -0.166 20 0 DBADRM C[C@@H](CO)C1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000652660607 411810668 /nfs/dbraw/zinc/81/06/68/411810668.db2.gz SASZJOYIGLQEOJ-CMPLNLGQSA-N -1 0 312.366 -0.214 20 0 DBADRM Cn1cc(CNC(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)nn1 ZINC000652655662 411810673 /nfs/dbraw/zinc/81/06/73/411810673.db2.gz JOUPOQOQJCOZDK-SNVBAGLBSA-N -1 0 323.353 -0.465 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@@H](C)CO1 ZINC000652662088 411810708 /nfs/dbraw/zinc/81/07/08/411810708.db2.gz IALALBLZRXFAOG-AXFHLTTASA-N -1 0 314.338 -0.676 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000653336555 411812614 /nfs/dbraw/zinc/81/26/14/411812614.db2.gz HDSNYJXLHRYKSK-GHMZBOCLSA-N -1 0 313.354 -0.565 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000653336558 411812619 /nfs/dbraw/zinc/81/26/19/411812619.db2.gz HDSNYJXLHRYKSK-WDEREUQCSA-N -1 0 313.354 -0.565 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000653339727 411814535 /nfs/dbraw/zinc/81/45/35/411814535.db2.gz RZLQTXSFEMHDDA-SECBINFHSA-N -1 0 307.310 -0.548 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000653341940 411815170 /nfs/dbraw/zinc/81/51/70/411815170.db2.gz PARYVKLGERWMQB-QMMMGPOBSA-N -1 0 318.355 -0.980 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N(C)[C@H](CC)C(=O)[O-] ZINC000653341337 411815295 /nfs/dbraw/zinc/81/52/95/411815295.db2.gz BIOWXNGERPXRND-SECBINFHSA-N -1 0 310.372 -0.736 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1)C(=O)[O-] ZINC000653492249 411865876 /nfs/dbraw/zinc/86/58/76/411865876.db2.gz CMAQWOWQOAOONX-ZETCQYMHSA-N -1 0 311.319 -0.078 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000653344930 411818087 /nfs/dbraw/zinc/81/80/87/411818087.db2.gz GYOSCTNQSRALRW-VIFPVBQESA-N -1 0 301.324 -0.336 20 0 DBADRM COCCOC[C@H](C)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659399756 411821333 /nfs/dbraw/zinc/82/13/33/411821333.db2.gz VHBLNKXRQRHDPI-MISXGVKJSA-N -1 0 316.354 -0.220 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@@](C)(CCF)C(=O)[O-] ZINC000659216957 411823424 /nfs/dbraw/zinc/82/34/24/411823424.db2.gz WAIZNSXEIVYJFE-NSHDSACASA-N -1 0 312.363 -0.023 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000655557602 411832995 /nfs/dbraw/zinc/83/29/95/411832995.db2.gz HDNOSSYHQYKADK-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM C[C@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)nc1)C(=O)[O-] ZINC000655558172 411833384 /nfs/dbraw/zinc/83/33/84/411833384.db2.gz DUQFJGYRYBCOCN-MRVPVSSYSA-N -1 0 315.351 -0.218 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000655558958 411834034 /nfs/dbraw/zinc/83/40/34/411834034.db2.gz VORQLWPJPGXURP-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM C[C@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000655561478 411834736 /nfs/dbraw/zinc/83/47/36/411834736.db2.gz MUNBCIUELGNUON-SSDOTTSWSA-N -1 0 320.305 -0.917 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000655596756 411836679 /nfs/dbraw/zinc/83/66/79/411836679.db2.gz JOCUYWWHZVETQB-LLVKDONJSA-N -1 0 309.322 -0.702 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000655600047 411836853 /nfs/dbraw/zinc/83/68/53/411836853.db2.gz WFNTXOMZLAXLFP-PSASIEDQSA-N -1 0 315.351 -0.869 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])C1=O ZINC000655601043 411837623 /nfs/dbraw/zinc/83/76/23/411837623.db2.gz DRVGUCWRKRYFDH-SNVBAGLBSA-N -1 0 320.305 -0.913 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)CCN1C(=O)CCC1=O ZINC000655600860 411838033 /nfs/dbraw/zinc/83/80/33/411838033.db2.gz ANWUDCSWBHFLCE-NSHDSACASA-N -1 0 319.317 -0.267 20 0 DBADRM CC[C@H](COC)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659645948 411857419 /nfs/dbraw/zinc/85/74/19/411857419.db2.gz CYTDRYMSQMYEKV-GPCCPHFNSA-N -1 0 314.338 -0.913 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCO[C@@H]1CC1(F)F)C(=O)[O-] ZINC000659662440 411859061 /nfs/dbraw/zinc/85/90/61/411859061.db2.gz SQPMMMGQGGHPTB-RKDXNWHRSA-N -1 0 322.308 0.000 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1cscn1 ZINC000659665947 411859547 /nfs/dbraw/zinc/85/95/47/411859547.db2.gz ZOLOKKKVFCVQKS-VXNVDRBHSA-N -1 0 313.335 -0.368 20 0 DBADRM CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)[C@H](C)C(=O)[O-] ZINC000659777568 411889402 /nfs/dbraw/zinc/88/94/02/411889402.db2.gz WPZZGUPNKMUMCP-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659202129 411897872 /nfs/dbraw/zinc/89/78/72/411897872.db2.gz FFDHWWRKHCLFRS-UHFFFAOYSA-N -1 0 318.355 -0.467 20 0 DBADRM O=C([O-])c1occc1CNC(=O)CN1CCCS1(=O)=O ZINC000659201724 411897940 /nfs/dbraw/zinc/89/79/40/411897940.db2.gz YBTQVQWPYMLBSQ-UHFFFAOYSA-N -1 0 302.308 -0.371 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC000402581825 411914680 /nfs/dbraw/zinc/91/46/80/411914680.db2.gz UJEGTOSLHIDNIV-UFBFGSQYSA-N -1 0 306.322 -0.327 20 0 DBADRM COCCOCCN1CCN(C(=O)N=c2[n-]ncs2)CC1 ZINC000649926946 411924293 /nfs/dbraw/zinc/92/42/93/411924293.db2.gz CWBLETVNVZAMHX-UHFFFAOYSA-N -1 0 315.399 -0.228 20 0 DBADRM Cc1cc(=NC(=O)N2CCN(Cc3nc[nH]n3)CC2)[n-]nc1C ZINC000650040272 411925924 /nfs/dbraw/zinc/92/59/24/411925924.db2.gz POUCGLSCDYBPDJ-UHFFFAOYSA-N -1 0 316.369 -0.017 20 0 DBADRM CN=c1[n-]nc(CC(=O)N2CCOC[C@H]2c2ccnn2C)s1 ZINC000652985420 411868230 /nfs/dbraw/zinc/86/82/30/411868230.db2.gz NLQDEMCXNRIEBP-JTQLQIEISA-N -1 0 322.394 -0.122 20 0 DBADRM Cn1cc(S(=O)(=O)N(CC(=O)[O-])C2CCC2)cc1C(N)=O ZINC000653496589 411869864 /nfs/dbraw/zinc/86/98/64/411869864.db2.gz YGPHGQIBGSRWLV-UHFFFAOYSA-N -1 0 315.351 -0.248 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N(CC(=O)[O-])C1CCC1 ZINC000653496194 411869967 /nfs/dbraw/zinc/86/99/67/411869967.db2.gz IKBMPTOYJQCGHA-UHFFFAOYSA-N -1 0 324.399 -0.235 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)c1c(O)cccc1O ZINC000653032033 411871887 /nfs/dbraw/zinc/87/18/87/411871887.db2.gz DAUYPCSBONFMAD-UHFFFAOYSA-N -1 0 303.340 -0.776 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCc1nncn1C ZINC000055312162 411872135 /nfs/dbraw/zinc/87/21/35/411872135.db2.gz HYOOVVCBWWIQQC-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM CCS(=O)(=O)NCC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000653550358 411877784 /nfs/dbraw/zinc/87/77/84/411877784.db2.gz VDRMIRXMUIKTAJ-UHFFFAOYSA-N -1 0 300.336 -0.060 20 0 DBADRM CC(C)(CCNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400231933 411884326 /nfs/dbraw/zinc/88/43/26/411884326.db2.gz CVFNHAQCTGHHDZ-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H](CNC(=O)NCc1ccc(S(N)(=O)=O)s1)C(=O)[O-] ZINC000655859978 411975223 /nfs/dbraw/zinc/97/52/23/411975223.db2.gz QJZWTRCYVNDZPJ-LURJTMIESA-N -1 0 321.380 -0.085 20 0 DBADRM C[C@H](CNC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)C(=O)[O-] ZINC000655870349 411975321 /nfs/dbraw/zinc/97/53/21/411975321.db2.gz XGCUFOCZQLMMRE-NXEZZACHSA-N -1 0 323.353 -0.065 20 0 DBADRM C[C@H](CNC(=O)NCc1ccc(S(N)(=O)=O)s1)C(=O)[O-] ZINC000655859985 411975376 /nfs/dbraw/zinc/97/53/76/411975376.db2.gz QJZWTRCYVNDZPJ-ZCFIWIBFSA-N -1 0 321.380 -0.085 20 0 DBADRM C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000655887494 411975737 /nfs/dbraw/zinc/97/57/37/411975737.db2.gz AILQZTNOVGYBQM-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000655895005 411976008 /nfs/dbraw/zinc/97/60/08/411976008.db2.gz PBWZWRRXFZOTCB-ZJUUUORDSA-N -1 0 321.399 -0.324 20 0 DBADRM C[C@H](CNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000655874091 411976058 /nfs/dbraw/zinc/97/60/58/411976058.db2.gz ZSISOKMZVPNTMN-BDAKNGLRSA-N -1 0 307.372 -0.712 20 0 DBADRM C[C@@H](CNC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C(=O)[O-] ZINC000655884857 411976231 /nfs/dbraw/zinc/97/62/31/411976231.db2.gz KRQUJSBUPUZHNN-VIFPVBQESA-N -1 0 309.326 -0.501 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000655887364 411976242 /nfs/dbraw/zinc/97/62/42/411976242.db2.gz LVHWIUYRMWIYBN-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@@H](CNC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1)C(=O)[O-] ZINC000655881030 411976547 /nfs/dbraw/zinc/97/65/47/411976547.db2.gz FQJYLLZJHVKGAZ-UWVGGRQHSA-N -1 0 321.399 -0.228 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)nn1C ZINC000655948492 411979543 /nfs/dbraw/zinc/97/95/43/411979543.db2.gz YIFQXZUQVOTARR-QMMMGPOBSA-N -1 0 312.326 -0.160 20 0 DBADRM COc1ncncc1NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655946185 411979909 /nfs/dbraw/zinc/97/99/09/411979909.db2.gz CXOOZKQDWZLDLE-QMMMGPOBSA-N -1 0 310.310 -0.103 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1cnc(N(C)C)nc1)C(=O)[O-] ZINC000655945142 411980837 /nfs/dbraw/zinc/98/08/37/411980837.db2.gz JTCDAAZNLQCNJJ-SNVBAGLBSA-N -1 0 323.353 -0.046 20 0 DBADRM CC(C)n1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000655938132 411980898 /nfs/dbraw/zinc/98/08/98/411980898.db2.gz NLPADMWYVKSPSW-JTQLQIEISA-N -1 0 310.310 -0.286 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@H](C)c1nnc2ccccn21)C(=O)[O-] ZINC000655979019 411981278 /nfs/dbraw/zinc/98/12/78/411981278.db2.gz WWFMEXQNMANRMP-RKDXNWHRSA-N -1 0 319.321 -0.257 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1cccnc1N(C)C)C(=O)[O-] ZINC000655980234 411981334 /nfs/dbraw/zinc/98/13/34/411981334.db2.gz QKPVZJHKGFIBJA-VIFPVBQESA-N -1 0 308.338 -0.399 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCc1cn2ccccc2n1)C(=O)[O-] ZINC000655978140 411981396 /nfs/dbraw/zinc/98/13/96/411981396.db2.gz OYGSJDVOCJUVDL-JTQLQIEISA-N -1 0 318.333 -0.170 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000655984366 411981689 /nfs/dbraw/zinc/98/16/89/411981689.db2.gz OBJHZXJRCBFMFQ-SECBINFHSA-N -1 0 321.333 -0.719 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCCS(C)(=O)=O)C(=O)[O-] ZINC000655981165 411981739 /nfs/dbraw/zinc/98/17/39/411981739.db2.gz LUOWZVVTMYHXRX-VIFPVBQESA-N -1 0 322.383 -0.990 20 0 DBADRM CC(C)C(=O)NCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655977358 411982097 /nfs/dbraw/zinc/98/20/97/411982097.db2.gz GTDTYBPVIXRDNC-JTQLQIEISA-N -1 0 315.370 -0.652 20 0 DBADRM COc1ccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1O ZINC000655980299 411982205 /nfs/dbraw/zinc/98/22/05/411982205.db2.gz RIQZFDXPUUOHRF-QMMMGPOBSA-N -1 0 310.306 -0.146 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCOC[C@@H]1CCCO1)C(=O)[O-] ZINC000655983837 411982362 /nfs/dbraw/zinc/98/23/62/411982362.db2.gz PAPDRUCBBVDBKX-ZJUUUORDSA-N -1 0 302.327 -0.865 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)n1 ZINC000655984378 411982485 /nfs/dbraw/zinc/98/24/85/411982485.db2.gz UKRVRYKRQJZEOF-VIFPVBQESA-N -1 0 312.326 -0.490 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1cn2ccccc2n1)C(=O)[O-] ZINC000655977193 411982508 /nfs/dbraw/zinc/98/25/08/411982508.db2.gz FFIGZPQOICCMTA-VIFPVBQESA-N -1 0 304.306 -0.213 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCCNc1ccccn1)C(=O)[O-] ZINC000655982558 411982532 /nfs/dbraw/zinc/98/25/32/411982532.db2.gz WUFUTPUBUSJSGB-JTQLQIEISA-N -1 0 308.338 -0.163 20 0 DBADRM CC(C)C[C@@H](CCO)CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655993047 411982893 /nfs/dbraw/zinc/98/28/93/411982893.db2.gz KITQZBWDDHKGMN-GHMZBOCLSA-N -1 0 302.371 -0.016 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCC(=O)N1)C(=O)[O-] ZINC000655995846 411983021 /nfs/dbraw/zinc/98/30/21/411983021.db2.gz JFRRRTASRRXMDW-LKFCYVNXSA-N -1 0 313.354 -0.756 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)s1 ZINC000655986955 411983138 /nfs/dbraw/zinc/98/31/38/411983138.db2.gz IMLWHQPXUMVKGW-QMMMGPOBSA-N -1 0 314.367 -0.064 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCc1cnc(C2CC2)nc1)C(=O)[O-] ZINC000655992830 411983271 /nfs/dbraw/zinc/98/32/71/411983271.db2.gz HQEVFGWSHAEXOW-SECBINFHSA-N -1 0 320.349 -0.150 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000655986352 411983296 /nfs/dbraw/zinc/98/32/96/411983296.db2.gz CIKFAPABRWIMGF-DTWKUNHWSA-N -1 0 322.383 -0.991 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCC(=O)N1)C(=O)[O-] ZINC000655995847 411983494 /nfs/dbraw/zinc/98/34/94/411983494.db2.gz JFRRRTASRRXMDW-OTYXRUKQSA-N -1 0 313.354 -0.756 20 0 DBADRM Cc1cnc(CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)cn1 ZINC000655995251 411983504 /nfs/dbraw/zinc/98/35/04/411983504.db2.gz ATVMBQGZNIDBBS-LBPRGKRZSA-N -1 0 322.365 -0.083 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@H](Nc2ncccn2)C1)C(=O)[O-] ZINC000656000158 411983914 /nfs/dbraw/zinc/98/39/14/411983914.db2.gz RONQHGREWCDVDH-UWVGGRQHSA-N -1 0 321.337 -0.674 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)C1CCC(CO)CC1)C(=O)[O-] ZINC000656004105 411984337 /nfs/dbraw/zinc/98/43/37/411984337.db2.gz DKYUHNIIFQSQGH-KPPDAEKUSA-N -1 0 300.355 -0.167 20 0 DBADRM CC[C@@]1(CO)CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000656002200 411984506 /nfs/dbraw/zinc/98/45/06/411984506.db2.gz WOXLECRTBSNECY-IINYFYTJSA-N -1 0 300.355 -0.166 20 0 DBADRM COCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC000655999245 411984688 /nfs/dbraw/zinc/98/46/88/411984688.db2.gz CWPNHXGRICRNOH-NXEZZACHSA-N -1 0 302.327 -0.913 20 0 DBADRM CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655998754 411985074 /nfs/dbraw/zinc/98/50/74/411985074.db2.gz BOKIGPPWLPJVDF-ZJUUUORDSA-N -1 0 313.354 -0.661 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](Cn2ccnn2)C1)C(=O)[O-] ZINC000656001142 411985135 /nfs/dbraw/zinc/98/51/35/411985135.db2.gz ZKDDHKZSDLNAOU-WDEREUQCSA-N -1 0 323.353 -0.646 20 0 DBADRM COCCOC[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000656003805 411985214 /nfs/dbraw/zinc/98/52/14/411985214.db2.gz XSEYNZUUPFCIRL-WDEREUQCSA-N -1 0 316.354 -0.665 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@H](c2nccn2C)C1)C(=O)[O-] ZINC000656001392 411985340 /nfs/dbraw/zinc/98/53/40/411985340.db2.gz GTJMSKDINWXNCQ-ZJUUUORDSA-N -1 0 308.338 -0.427 20 0 DBADRM CCOCCOC1CN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000656002157 411985620 /nfs/dbraw/zinc/98/56/20/411985620.db2.gz VOZRADFQVTUVGG-VIFPVBQESA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)C(=O)[O-] ZINC000656005903 411985661 /nfs/dbraw/zinc/98/56/61/411985661.db2.gz MYHFIOLQYJZCFG-WDSKDSINSA-N -1 0 300.233 -0.795 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H](Cn2ccnn2)C1)C(=O)[O-] ZINC000656001140 411985667 /nfs/dbraw/zinc/98/56/67/411985667.db2.gz ZKDDHKZSDLNAOU-MNOVXSKESA-N -1 0 323.353 -0.646 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC000656002728 411985692 /nfs/dbraw/zinc/98/56/92/411985692.db2.gz IBJQEMPSEBNYTA-NSHDSACASA-N -1 0 320.349 -0.433 20 0 DBADRM Cc1noc([C@@H]2CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C2)n1 ZINC000656002027 411985723 /nfs/dbraw/zinc/98/57/23/411985723.db2.gz RVEGDLIDNIRDCU-PSASIEDQSA-N -1 0 324.337 -0.079 20 0 DBADRM CCC1(CO)CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000656001879 411985787 /nfs/dbraw/zinc/98/57/87/411985787.db2.gz ONUZENKVFXWEJB-SNVBAGLBSA-N -1 0 300.355 -0.166 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000656001736 411985853 /nfs/dbraw/zinc/98/58/53/411985853.db2.gz MJWFGFILBBGBKG-SNVBAGLBSA-N -1 0 313.354 -0.850 20 0 DBADRM CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000656004454 411985875 /nfs/dbraw/zinc/98/58/75/411985875.db2.gz PFCHMEBQQXXBSP-VHSXEESVSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCNC1=O)C(=O)[O-] ZINC000656007427 411986515 /nfs/dbraw/zinc/98/65/15/411986515.db2.gz FSNQZQYLIVLGDI-NXEZZACHSA-N -1 0 313.354 -0.898 20 0 DBADRM CCN1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1=O ZINC000656010773 411986609 /nfs/dbraw/zinc/98/66/09/411986609.db2.gz QSWGWAPEXYNNMK-JTQLQIEISA-N -1 0 313.354 -0.850 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCC(=O)NCC1CC1)C(=O)[O-] ZINC000656011755 411986655 /nfs/dbraw/zinc/98/66/55/411986655.db2.gz QMLVLBUBKCJDCD-SNVBAGLBSA-N -1 0 313.354 -0.898 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@](C)(O)C1)C(=O)[O-] ZINC000656010866 411986772 /nfs/dbraw/zinc/98/67/72/411986772.db2.gz GSBDHUGTLZESDT-IINYFYTJSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCCNC1=O)C(=O)[O-] ZINC000656007430 411987033 /nfs/dbraw/zinc/98/70/33/411987033.db2.gz FSNQZQYLIVLGDI-ZJUUUORDSA-N -1 0 313.354 -0.898 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](CO)C1)C(=O)[O-] ZINC000656011211 411987112 /nfs/dbraw/zinc/98/71/12/411987112.db2.gz WLDSIICBYKQQLV-WDEREUQCSA-N -1 0 300.355 -0.310 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)C(=O)[O-] ZINC000656006664 411987278 /nfs/dbraw/zinc/98/72/78/411987278.db2.gz YVBATLZOWVQSGZ-OPRDCNLKSA-N -1 0 311.338 -0.907 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CO)C1)C(=O)[O-] ZINC000656011208 411987443 /nfs/dbraw/zinc/98/74/43/411987443.db2.gz WLDSIICBYKQQLV-GHMZBOCLSA-N -1 0 300.355 -0.310 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N(C)Cc1cnn(C)c1)C(=O)[O-] ZINC000656012876 411988051 /nfs/dbraw/zinc/98/80/51/411988051.db2.gz JROKZAVVWSXQBG-LLVKDONJSA-N -1 0 310.354 -0.149 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2)C(=O)[O-] ZINC000656012960 411988711 /nfs/dbraw/zinc/98/87/11/411988711.db2.gz JUZUXLMPUNZBPK-AXFHLTTASA-N -1 0 314.338 -0.914 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C(=O)[C@@H]1C)C(=O)[O-] ZINC000656012584 411989097 /nfs/dbraw/zinc/98/90/97/411989097.db2.gz GMXOHEXGLCIRPH-VHSXEESVSA-N -1 0 313.354 -0.852 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N(C)CCn1cccn1)C(=O)[O-] ZINC000656012121 411989133 /nfs/dbraw/zinc/98/91/33/411989133.db2.gz ZTRDWGBWDJGRBL-NSHDSACASA-N -1 0 310.354 -0.186 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])cn1 ZINC000656163277 411997389 /nfs/dbraw/zinc/99/73/89/411997389.db2.gz TXZSLIYRRKMVAB-SECBINFHSA-N -1 0 309.319 -0.379 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)NCc2nocc2C(=O)[O-])C[C@@H](C)O1 ZINC000656164566 411997463 /nfs/dbraw/zinc/99/74/63/411997463.db2.gz MHDMGZCLDXKPKH-HTQZYQBOSA-N -1 0 319.339 -0.184 20 0 DBADRM CO[C@H](C[C@@H](NS(=O)(=O)c1ccnn1C)C(=O)[O-])C1CC1 ZINC000656169076 411999311 /nfs/dbraw/zinc/99/93/11/411999311.db2.gz NRCGAMXWTKVSGF-NXEZZACHSA-N -1 0 317.367 -0.033 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC000656247090 412001152 /nfs/dbraw/zinc/00/11/52/412001152.db2.gz APIQUSSJDKOQQZ-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM Cc1noc2ncc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc12 ZINC000656526323 412007026 /nfs/dbraw/zinc/00/70/26/412007026.db2.gz KOFRYMLCUUZMND-MRVPVSSYSA-N -1 0 301.280 -0.745 20 0 DBADRM CC(C)(C)n1nnc(CNC(=O)C[C@]2(C(=O)[O-])CCOC2)n1 ZINC000656483834 412007148 /nfs/dbraw/zinc/00/71/48/412007148.db2.gz GQDSNDVCTDEPKJ-CYBMUJFWSA-N -1 0 311.342 -0.074 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CCOCC2)C[C@@H]1CC(=O)[O-] ZINC000656525057 412007309 /nfs/dbraw/zinc/00/73/09/412007309.db2.gz YGSJEHSKKRADJS-QWRGUYRKSA-N -1 0 306.384 -0.004 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2cnnn2C)C[C@@H]1CC(=O)[O-] ZINC000656521611 412007448 /nfs/dbraw/zinc/00/74/48/412007448.db2.gz OMMBZGSXTPDWPY-BDAKNGLRSA-N -1 0 302.356 -0.064 20 0 DBADRM COC1CCN(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])CC1 ZINC000656515136 412007551 /nfs/dbraw/zinc/00/75/51/412007551.db2.gz LRVQPVVDFHDCML-SNVBAGLBSA-N -1 0 324.399 -0.501 20 0 DBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000656509157 412007677 /nfs/dbraw/zinc/00/76/77/412007677.db2.gz NCALXJSTQWHVEI-XCBNKYQSSA-N -1 0 316.335 -0.794 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000656514185 412007804 /nfs/dbraw/zinc/00/78/04/412007804.db2.gz LYRRCOOTRDPELD-WDEREUQCSA-N -1 0 306.384 -0.270 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CC[C@@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC000656563709 412008853 /nfs/dbraw/zinc/00/88/53/412008853.db2.gz WKAWPOOPPGRXCI-OUAUKWLOSA-N -1 0 307.368 -0.226 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)CC1CCOCC1)C2 ZINC000656561022 412008988 /nfs/dbraw/zinc/00/89/88/412008988.db2.gz AMBZGUQVEVFKHV-DGCLKSJQSA-N -1 0 319.379 -0.224 20 0 DBADRM COC[C@](C)(NC(=O)NC[C@H](OC)[C@H]1CCOC1)C(=O)[O-] ZINC000656586327 412010136 /nfs/dbraw/zinc/01/01/36/412010136.db2.gz NLMWGIHKMKPXII-KWBADKCTSA-N -1 0 304.343 -0.173 20 0 DBADRM Cn1cccc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1=O ZINC000656602281 412010373 /nfs/dbraw/zinc/01/03/73/412010373.db2.gz LYCJNIOEBGHRMF-YMTOWFKASA-N -1 0 307.306 -0.050 20 0 DBADRM C[C@@H]1C[C@H](S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC000656564354 412010420 /nfs/dbraw/zinc/01/04/20/412010420.db2.gz KFZZMIBEFQBBEG-PRULPYPASA-N -1 0 319.379 -0.083 20 0 DBADRM CO[C@H](CNC(=O)N[C@]1(C(=O)[O-])CCOC1)[C@@H]1CCOC1 ZINC000656586319 412010477 /nfs/dbraw/zinc/01/04/77/412010477.db2.gz NHGOFMZOXUINQC-GIPNMCIBSA-N -1 0 302.327 -0.419 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1)[C@H]1CCOC1 ZINC000656564690 412010676 /nfs/dbraw/zinc/01/06/76/412010676.db2.gz VGCBAEMVTUWKSX-UMNHJUIQSA-N -1 0 323.367 -0.799 20 0 DBADRM C[C@](O)(CNC(=O)Nc1ccc2c(c1)CCNC2=O)C(=O)[O-] ZINC000656605095 412010741 /nfs/dbraw/zinc/01/07/41/412010741.db2.gz OXLSJJDMBWMZCG-AWEZNQCLSA-N -1 0 307.306 -0.070 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@]1(C(=O)[O-])CCOC1)[C@@H]1CCOC1 ZINC000656564687 412011011 /nfs/dbraw/zinc/01/10/11/412011011.db2.gz VGCBAEMVTUWKSX-CKYFFXLPSA-N -1 0 323.367 -0.799 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N[C@](C)(CCF)C(=O)[O-] ZINC000656579030 412011019 /nfs/dbraw/zinc/01/10/19/412011019.db2.gz NCQBOMYTEFZLHA-SNVBAGLBSA-N -1 0 313.351 -0.572 20 0 DBADRM Cn1ccnc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1=O ZINC000656602916 412011059 /nfs/dbraw/zinc/01/10/59/412011059.db2.gz SHPDQOHRRNSSQR-AMIZOPFISA-N -1 0 308.294 -0.655 20 0 DBADRM CN(C[C@@H]1COCCO1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000656721022 412012145 /nfs/dbraw/zinc/01/21/45/412012145.db2.gz INCRHVGMFKOEDX-ZJUUUORDSA-N -1 0 308.356 -0.873 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC[C@@H]3OCC[C@@H]32)cn1 ZINC000656717227 412012230 /nfs/dbraw/zinc/01/22/30/412012230.db2.gz URSTUIBXLFYVBS-QWRGUYRKSA-N -1 0 315.351 -0.090 20 0 DBADRM O=C([O-])C12CC(C1)CN2S(=O)(=O)c1cnn2c1OCCC2 ZINC000656719842 412012301 /nfs/dbraw/zinc/01/23/01/412012301.db2.gz HYRCGJGNKLPMNJ-UHFFFAOYSA-N -1 0 313.335 -0.097 20 0 DBADRM CC1(C)CN(S(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])CCO1 ZINC000656716797 412012333 /nfs/dbraw/zinc/01/23/33/412012333.db2.gz IEOAAXJBFXHYIF-BDAKNGLRSA-N -1 0 308.356 -0.826 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-]c1nc(N(C)C)n[nH]1)[C@H]1CCOC1 ZINC000656736452 412012356 /nfs/dbraw/zinc/01/23/56/412012356.db2.gz AHJMSVKRMITQJR-DTWKUNHWSA-N -1 0 319.387 -0.336 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@@H]1CCOC1 ZINC000656716408 412012422 /nfs/dbraw/zinc/01/24/22/412012422.db2.gz FXIQVELBNDJHDA-VXNVDRBHSA-N -1 0 319.339 -0.562 20 0 DBADRM COCc1nccc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)n1 ZINC000656742403 412012456 /nfs/dbraw/zinc/01/24/56/412012456.db2.gz OLZLFOBSCFZZJR-MRVPVSSYSA-N -1 0 302.356 -0.159 20 0 DBADRM CCn1cc(CNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])nn1 ZINC000656722049 412012577 /nfs/dbraw/zinc/01/25/77/412012577.db2.gz OKUUJZKVLLCLTO-SECBINFHSA-N -1 0 303.344 -0.819 20 0 DBADRM Cc1cncc(CCNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])n1 ZINC000656728293 412012593 /nfs/dbraw/zinc/01/25/93/412012593.db2.gz LANYTOAIHJSARD-LLVKDONJSA-N -1 0 314.367 -0.289 20 0 DBADRM COC[C@@H](CCNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)OC ZINC000656717300 412012750 /nfs/dbraw/zinc/01/27/50/412012750.db2.gz MRWYLDSVBUWNEM-GHMZBOCLSA-N -1 0 324.399 -0.331 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2[O-])C1 ZINC000656906116 412015664 /nfs/dbraw/zinc/01/56/64/412015664.db2.gz SGMLAHRNVSRXLH-VIFPVBQESA-N -1 0 320.392 -0.296 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2[O-])C1 ZINC000656906115 412016065 /nfs/dbraw/zinc/01/60/65/412016065.db2.gz SGMLAHRNVSRXLH-SECBINFHSA-N -1 0 320.392 -0.296 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[O-])CC1 ZINC000656946598 412017100 /nfs/dbraw/zinc/01/71/00/412017100.db2.gz CCWNQMAADBLDLV-SNVBAGLBSA-N -1 0 314.363 -0.394 20 0 DBADRM CCN(C)C(=O)CNC(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000387336153 411950041 /nfs/dbraw/zinc/95/00/41/411950041.db2.gz UMTCPLMHIRMMHO-ZDUSSCGKSA-N -1 0 301.343 -0.403 20 0 DBADRM CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2[O-])CCO1 ZINC000656956480 412019062 /nfs/dbraw/zinc/01/90/62/412019062.db2.gz IJAMJAHRQYDFFN-SNVBAGLBSA-N -1 0 300.336 -0.472 20 0 DBADRM COCc1nc(C[N-]S(=O)(=O)c2c(N)noc2C)n[nH]1 ZINC000657104486 412031298 /nfs/dbraw/zinc/03/12/98/412031298.db2.gz QOOBJUZNAJIJLL-UHFFFAOYSA-N -1 0 302.316 -0.692 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-]CC(F)(F)CN)[C@@H]1CCOC1 ZINC000658371561 412053020 /nfs/dbraw/zinc/05/30/20/412053020.db2.gz KHWFTPKLVXYGJO-RKDXNWHRSA-N -1 0 302.343 -0.449 20 0 DBADRM CN(C)S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[O-] ZINC000656989557 412021822 /nfs/dbraw/zinc/02/18/22/412021822.db2.gz XVNARSKABXKANC-UHFFFAOYSA-N -1 0 323.396 -0.934 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659059627 412076750 /nfs/dbraw/zinc/07/67/50/412076750.db2.gz UULJTSAWXDTCJI-MRVPVSSYSA-N -1 0 320.305 -0.593 20 0 DBADRM CC1(C)[C@H](O)C[C@H]1NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659059098 412076757 /nfs/dbraw/zinc/07/67/57/412076757.db2.gz PVSXQGMGHOCOGF-RKDXNWHRSA-N -1 0 307.306 -0.006 20 0 DBADRM CCN1C[C@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1=O ZINC000659061124 412077025 /nfs/dbraw/zinc/07/70/25/412077025.db2.gz PTJLYBFJPOFGIT-MRVPVSSYSA-N -1 0 320.305 -0.545 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])[C@@H]1CO ZINC000659056761 412077106 /nfs/dbraw/zinc/07/71/06/412077106.db2.gz AKEFOMMYPRUGLF-WCBMZHEXSA-N -1 0 307.306 -0.052 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CCN(C)C2=O)C(=O)[O-] ZINC000659060070 412077156 /nfs/dbraw/zinc/07/71/56/412077156.db2.gz HVICCYQGEXBDLN-QMMMGPOBSA-N -1 0 319.317 -0.158 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659059629 412077195 /nfs/dbraw/zinc/07/71/95/412077195.db2.gz UULJTSAWXDTCJI-QMMMGPOBSA-N -1 0 320.305 -0.593 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC[C@@H]1O ZINC000659059156 412077261 /nfs/dbraw/zinc/07/72/61/412077261.db2.gz RJXVGKUMCVNVNH-SCZZXKLOSA-N -1 0 307.306 -0.052 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@@H](CO)O1 ZINC000659058673 412077269 /nfs/dbraw/zinc/07/72/69/412077269.db2.gz ONAKJYYJHMTBNI-BDAKNGLRSA-N -1 0 323.305 -0.674 20 0 DBADRM COCCN(CCO)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659057910 412077299 /nfs/dbraw/zinc/07/72/99/412077299.db2.gz KMVLGRHNWZJSTP-UHFFFAOYSA-N -1 0 311.294 -0.814 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659059159 412077439 /nfs/dbraw/zinc/07/74/39/412077439.db2.gz RKZQBSPTDCHTHL-UHFFFAOYSA-N -1 0 308.294 -0.687 20 0 DBADRM COCCn1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cn1 ZINC000659070630 412077802 /nfs/dbraw/zinc/07/78/02/412077802.db2.gz OXCDWFMOLLEEET-UHFFFAOYSA-N -1 0 324.337 -0.161 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC000659066466 412077931 /nfs/dbraw/zinc/07/79/31/412077931.db2.gz YRFYIHBWHKGEJO-YMTOWFKASA-N -1 0 320.305 -0.717 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O)C(=O)[O-] ZINC000659061699 412078203 /nfs/dbraw/zinc/07/82/03/412078203.db2.gz XTGBSNMQHQVFEH-SSDOTTSWSA-N -1 0 305.290 -0.500 20 0 DBADRM COc1ncncc1NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659069005 412078504 /nfs/dbraw/zinc/07/85/04/412078504.db2.gz IIPFWDWFAPZFLA-UHFFFAOYSA-N -1 0 308.294 -0.205 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc2c1CCN(C)C2=O)C(=O)[O-] ZINC000659061553 412078587 /nfs/dbraw/zinc/07/85/87/412078587.db2.gz WNYDGGXOJFKTLG-QMMMGPOBSA-N -1 0 319.317 -0.158 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O)C(=O)[O-] ZINC000659061702 412078747 /nfs/dbraw/zinc/07/87/47/412078747.db2.gz XTGBSNMQHQVFEH-ZETCQYMHSA-N -1 0 305.290 -0.500 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cn(C)nc1C(F)(F)F)C(=O)[O-] ZINC000659063120 412078806 /nfs/dbraw/zinc/07/88/06/412078806.db2.gz RMPUWJIRJPAJIX-SCSAIBSYSA-N -1 0 308.216 -0.033 20 0 DBADRM CN1CC[C@H](C(=O)NCc2ccoc2C(=O)[O-])S1(=O)=O ZINC000659201891 412080935 /nfs/dbraw/zinc/08/09/35/412080935.db2.gz VOCVJYAEJQREOO-MRVPVSSYSA-N -1 0 302.308 -0.372 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)C1(n2cnnn2)CCOCC1)C1CC1 ZINC000659210251 412080955 /nfs/dbraw/zinc/08/09/55/412080955.db2.gz TTXCHTPTPXUNBH-NSHDSACASA-N -1 0 323.353 -0.204 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000659169960 412081672 /nfs/dbraw/zinc/08/16/72/412081672.db2.gz NEFQLWCLQRWAPX-XHVZSJERSA-N -1 0 322.317 -0.014 20 0 DBADRM COC[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C1CCOCC1 ZINC000659192356 412081869 /nfs/dbraw/zinc/08/18/69/412081869.db2.gz LMOWSVMDQSVPLG-NSHDSACASA-N -1 0 312.326 -0.466 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C1(n2cnnn2)CCOCC1)CC1CC1 ZINC000659162853 412081875 /nfs/dbraw/zinc/08/18/75/412081875.db2.gz BPQGMTSYUXGMEX-NSHDSACASA-N -1 0 323.353 -0.204 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000659226599 412081942 /nfs/dbraw/zinc/08/19/42/412081942.db2.gz FDAMUOGEXHDAIP-BDAKNGLRSA-N -1 0 305.352 -0.298 20 0 DBADRM C[C@H](CN(C)C(=O)CC1(n2cnnn2)CCOCC1)C(=O)[O-] ZINC000659131737 412082024 /nfs/dbraw/zinc/08/20/24/412082024.db2.gz WVJPRQBEEZZCGJ-SNVBAGLBSA-N -1 0 311.342 -0.252 20 0 DBADRM C[C@H](CNC(=O)CC1(n2cnnn2)CCOCC1)CC(=O)[O-] ZINC000659144321 412082059 /nfs/dbraw/zinc/08/20/59/412082059.db2.gz GGOIXGBUENCGPF-JTQLQIEISA-N -1 0 311.342 -0.204 20 0 DBADRM CN1CC[C@H](C(=O)NC[C@H](CC(=O)[O-])C2CC2)S1(=O)=O ZINC000659206384 412082111 /nfs/dbraw/zinc/08/21/11/412082111.db2.gz DTPAUPYJGGCMNT-VHSXEESVSA-N -1 0 304.368 -0.363 20 0 DBADRM NC(=O)c1cc(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)on1 ZINC000659399660 412086908 /nfs/dbraw/zinc/08/69/08/412086908.db2.gz DDSVTDZRICOMBF-FUXBKTLASA-N -1 0 324.293 -0.984 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659397518 412087019 /nfs/dbraw/zinc/08/70/19/412087019.db2.gz JZNLWEDBXPZUIG-YGOYTEALSA-N -1 0 320.367 -0.838 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659395186 412087044 /nfs/dbraw/zinc/08/70/44/412087044.db2.gz GJFCRTHASIGQOA-OPQQBVKSSA-N -1 0 309.326 -0.591 20 0 DBADRM C[C@@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ncnn1C ZINC000659401322 412087461 /nfs/dbraw/zinc/08/74/61/412087461.db2.gz ISMQRICRTMHHAX-JRKPZEMJSA-N -1 0 309.326 -0.381 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCC1(C(=O)[O-])CCC1 ZINC000659411725 412087468 /nfs/dbraw/zinc/08/74/68/412087468.db2.gz DIZAPGZXFKNULF-IUCAKERBSA-N -1 0 320.367 -0.648 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)CCC1 ZINC000659649642 412098594 /nfs/dbraw/zinc/09/85/94/412098594.db2.gz YZPNMVMXUKXKHO-JTQLQIEISA-N -1 0 320.349 -0.246 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cn1 ZINC000659649358 412098641 /nfs/dbraw/zinc/09/86/41/412098641.db2.gz WBXHAPCLQJBFQT-UHFFFAOYSA-N -1 0 308.338 -0.550 20 0 DBADRM CN(C)C(=O)CCCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659649923 412098774 /nfs/dbraw/zinc/09/87/74/412098774.db2.gz PGGKMMKOSGUGLP-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659645939 412099159 /nfs/dbraw/zinc/09/91/59/412099159.db2.gz CPQGTMJBHCBJNL-SNVBAGLBSA-N -1 0 308.338 -0.241 20 0 DBADRM CC1(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCC1 ZINC000659654435 412099276 /nfs/dbraw/zinc/09/92/76/412099276.db2.gz MIXZFAXEYFYYCM-MEBBXXQBSA-N -1 0 310.350 -0.148 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NC[C@H]2CCCC(=O)N2)CCC1 ZINC000659653440 412099421 /nfs/dbraw/zinc/09/94/21/412099421.db2.gz UKYQYWDPZWUPFN-SECBINFHSA-N -1 0 311.338 -0.858 20 0 DBADRM COc1ccnc(CNC(=O)C(=O)NCCCC(=O)[O-])c1F ZINC000659655830 412099431 /nfs/dbraw/zinc/09/94/31/412099431.db2.gz NOFUVDMNIXASLN-UHFFFAOYSA-N -1 0 313.285 -0.174 20 0 DBADRM Cn1cc(CNC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)nn1 ZINC000659658624 412099915 /nfs/dbraw/zinc/09/99/15/412099915.db2.gz PIXAACLSFLREHD-UHFFFAOYSA-N -1 0 323.353 -0.465 20 0 DBADRM CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCC1=O ZINC000659660620 412100088 /nfs/dbraw/zinc/10/00/88/412100088.db2.gz MFCINAOZQYDDCZ-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)CO)C(=O)[O-] ZINC000659662064 412100392 /nfs/dbraw/zinc/10/03/92/412100392.db2.gz OZVGAVQIHBTDMJ-GMTAPVOTSA-N -1 0 300.355 -0.167 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)nn1 ZINC000659664083 412100426 /nfs/dbraw/zinc/10/04/26/412100426.db2.gz PEOZQLZUBWZPOH-UWVGGRQHSA-N -1 0 323.353 -0.517 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCCN2CCCC2=O)CCC1 ZINC000659660716 412100443 /nfs/dbraw/zinc/10/04/43/412100443.db2.gz BZCNVODALLLSIE-UHFFFAOYSA-N -1 0 311.338 -0.904 20 0 DBADRM Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)C(=O)NCCC(=O)[O-])cn1 ZINC000659658059 412100595 /nfs/dbraw/zinc/10/05/95/412100595.db2.gz FBBUICJKAKEBAI-NEPJUHHUSA-N -1 0 322.365 -0.162 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3COC[C@@H]3C2)C1 ZINC000659661705 412100695 /nfs/dbraw/zinc/10/06/95/412100695.db2.gz XCHHIHINRDKWMK-RHYQMDGZSA-N -1 0 310.350 -0.149 20 0 DBADRM COc1ccnc(CNC(=O)C(=O)N(C)CCC(=O)[O-])c1F ZINC000659663939 412100742 /nfs/dbraw/zinc/10/07/42/412100742.db2.gz KCXKSLDDJLKYDQ-UHFFFAOYSA-N -1 0 313.285 -0.221 20 0 DBADRM COC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1CCOCC1 ZINC000659662245 412100909 /nfs/dbraw/zinc/10/09/09/412100909.db2.gz QYEVWOXUVVOBSZ-KOLCDFICSA-N -1 0 316.354 -0.619 20 0 DBADRM CN(CCCCCO)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659670609 412101576 /nfs/dbraw/zinc/10/15/76/412101576.db2.gz OCTYZVHCDMFVOP-UHFFFAOYSA-N -1 0 300.355 -0.022 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)CCC1 ZINC000659668799 412101679 /nfs/dbraw/zinc/10/16/79/412101679.db2.gz NCVNLRVIAZLNGC-CQSZACIVSA-N -1 0 310.350 -0.004 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCO[C@H](C3CC3)C2)CCC1 ZINC000659667745 412101716 /nfs/dbraw/zinc/10/17/16/412101716.db2.gz NSVNGYMMJXRGCL-NSHDSACASA-N -1 0 310.350 -0.005 20 0 DBADRM C[C@H](O)[C@H]1CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659669938 412101831 /nfs/dbraw/zinc/10/18/31/412101831.db2.gz ZICSTWPJXJXXFK-QWRGUYRKSA-N -1 0 312.366 -0.023 20 0 DBADRM CC(C)NC(=O)CCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659669395 412101890 /nfs/dbraw/zinc/10/18/90/412101890.db2.gz GAPDIYCMAYQWAV-UHFFFAOYSA-N -1 0 313.354 -0.612 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCc3nccnc3C2)CCC1 ZINC000659670197 412101942 /nfs/dbraw/zinc/10/19/42/412101942.db2.gz AYVUXTWROORIBV-UHFFFAOYSA-N -1 0 318.333 -0.268 20 0 DBADRM Cc1nn(CC(=O)N2CCC(CCC(=O)[O-])CC2)c(=O)n1C ZINC000659776276 412122563 /nfs/dbraw/zinc/12/25/63/412122563.db2.gz IVDIGYCZUVJCKO-UHFFFAOYSA-N -1 0 310.354 -0.006 20 0 DBADRM C[C@](O)(CNC(=O)c1cccc(Cn2ccnn2)c1)C(=O)[O-] ZINC000659765684 412122566 /nfs/dbraw/zinc/12/25/66/412122566.db2.gz JTUDIYDYDXEESR-AWEZNQCLSA-N -1 0 304.306 -0.108 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659778215 412122793 /nfs/dbraw/zinc/12/27/93/412122793.db2.gz CNTRJWCQKRBJNH-BXKDBHETSA-N -1 0 305.352 -0.631 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1)C(=O)[O-] ZINC000659767119 412123015 /nfs/dbraw/zinc/12/30/15/412123015.db2.gz NQFKEKNJCXXJFB-TVYUQYBPSA-N -1 0 321.333 -0.183 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659774757 412123119 /nfs/dbraw/zinc/12/31/19/412123119.db2.gz OJJCHFCBENMWEA-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659779457 412123910 /nfs/dbraw/zinc/12/39/10/412123910.db2.gz CJEDSKXYPZFYBI-IAQYHMDHSA-N -1 0 323.349 -0.025 20 0 DBADRM Cc1ccn(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(=O)c1 ZINC000659779139 412124034 /nfs/dbraw/zinc/12/40/34/412124034.db2.gz CPJNNVPOVIRLQP-IAQYHMDHSA-N -1 0 306.318 -0.284 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000659783769 412124272 /nfs/dbraw/zinc/12/42/72/412124272.db2.gz XZIVUIHCBCDBMN-UHFFFAOYSA-N -1 0 301.343 -0.802 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1cccn3c(=O)[nH]nc13)C2 ZINC000659779712 412124309 /nfs/dbraw/zinc/12/43/09/412124309.db2.gz FFDPKGVHJUQUIS-XLKFXECMSA-N -1 0 318.289 -0.392 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1ccnc(N3CCOCC3)n1)C2 ZINC000662885661 412207491 /nfs/dbraw/zinc/20/74/91/412207491.db2.gz KDJOVPCMCUBMRV-IAQYHMDHSA-N -1 0 320.349 -0.149 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)[C@@H](Nc2ccnc(N3CCOCC3)n2)C1 ZINC000662897056 412208755 /nfs/dbraw/zinc/20/87/55/412208755.db2.gz MVAHRBYEMKTWRR-DCAQKATOSA-N -1 0 308.338 -0.051 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1C[C@@H]3CCC[C@H]3C1)C2 ZINC000662904457 412208854 /nfs/dbraw/zinc/20/88/54/412208854.db2.gz MRQIJIGXJUHWMV-PVTKRXDGSA-N -1 0 322.361 -0.196 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1C[C@@H]3CCC[C@@H]3C1)C2 ZINC000662904453 412209311 /nfs/dbraw/zinc/20/93/11/412209311.db2.gz MRQIJIGXJUHWMV-AZKPJATDSA-N -1 0 322.361 -0.196 20 0 DBADRM C[C@@H]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662905731 412209515 /nfs/dbraw/zinc/20/95/15/412209515.db2.gz GHLXXDBGIIWLLR-UYUMYWFVSA-N -1 0 310.350 -0.197 20 0 DBADRM Cc1nc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)sc1S(N)(=O)=O ZINC000662895637 412209541 /nfs/dbraw/zinc/20/95/41/412209541.db2.gz DWJIVAWPRYXBSK-RRKCRQDMSA-N -1 0 321.380 -0.265 20 0 DBADRM CC[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662904205 412209554 /nfs/dbraw/zinc/20/95/54/412209554.db2.gz PROGXWSCGVNIKP-UEKVPHQBSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N2CC[C@@H](CO)C2)CC1 ZINC000662904914 412209580 /nfs/dbraw/zinc/20/95/80/412209580.db2.gz WHNCWHORGSXWHJ-GFCCVEGCSA-N -1 0 312.366 -0.069 20 0 DBADRM NS(=O)(=O)c1cnc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)s1 ZINC000662897864 412210159 /nfs/dbraw/zinc/21/01/59/412210159.db2.gz YNJGGGGDAIYPER-KVQBGUIXSA-N -1 0 307.353 -0.574 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2cn(C)nn2)C1 ZINC000662910515 412211081 /nfs/dbraw/zinc/21/10/81/412211081.db2.gz ORMJGAFVSZQCSV-ZJUUUORDSA-N -1 0 323.353 -0.657 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCOC3)C1 ZINC000662913841 412211135 /nfs/dbraw/zinc/21/11/35/412211135.db2.gz NOQKBDUWVBIFQS-ABAIWWIYSA-N -1 0 310.350 -0.051 20 0 DBADRM CN(CCC1CC1)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662910003 412211201 /nfs/dbraw/zinc/21/12/01/412211201.db2.gz MFUDBPTVZMNYNZ-IAQYHMDHSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@H](C3CC3)C1)C2 ZINC000662907756 412211296 /nfs/dbraw/zinc/21/12/96/412211296.db2.gz XIGVNCRQZMWFFH-HWWQOWPSSA-N -1 0 322.361 -0.196 20 0 DBADRM C[C@]1(C(F)F)CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC000662913519 412211399 /nfs/dbraw/zinc/21/13/99/412211399.db2.gz LZAPHXBBUFNQIM-AMIZOPFISA-N -1 0 320.292 -0.198 20 0 DBADRM CN(CC(=O)N1CCCC1)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000662914337 412211425 /nfs/dbraw/zinc/21/14/25/412211425.db2.gz PZIJGCLAUAUPGU-JTQLQIEISA-N -1 0 311.338 -1.000 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000662917726 412212051 /nfs/dbraw/zinc/21/20/51/412212051.db2.gz XBSMTSKGEYTHDV-VWYCJHECSA-N -1 0 314.338 -0.676 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)Nc2cnn(CC(=O)[O-])c2)C1=O ZINC000314456199 412152510 /nfs/dbraw/zinc/15/25/10/412152510.db2.gz AJIITTNTTCIESJ-UHFFFAOYSA-N -1 0 309.282 -0.763 20 0 DBADRM Cn1ccc(NCCNC(=O)c2nc3ccccc3c(=O)[nH]2)n1 ZINC000347417573 412274458 /nfs/dbraw/zinc/27/44/58/412274458.db2.gz AYWOPYSXNRXSTO-UHFFFAOYSA-N -1 0 312.333 0.499 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)NCc2ncccc2O)n1 ZINC000344039385 412280813 /nfs/dbraw/zinc/28/08/13/412280813.db2.gz BMWWIPFUXFWTQL-UHFFFAOYSA-N -1 0 319.325 -0.211 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000663028568 412223813 /nfs/dbraw/zinc/22/38/13/412223813.db2.gz XXBDNNUNXLBKNV-NSHDSACASA-N -1 0 308.290 -0.524 20 0 DBADRM CC(C)C[C@@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663023915 412223842 /nfs/dbraw/zinc/22/38/42/412223842.db2.gz JSQYGXJVCDBKFQ-NXEZZACHSA-N -1 0 321.399 -0.483 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000663036751 412223930 /nfs/dbraw/zinc/22/39/30/412223930.db2.gz CJRUDWPKGHGOAD-NSHDSACASA-N -1 0 302.308 -0.238 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000663037798 412224072 /nfs/dbraw/zinc/22/40/72/412224072.db2.gz KUFBFLGDUFPXNC-NSHDSACASA-N -1 0 302.308 -0.238 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000663025381 412224091 /nfs/dbraw/zinc/22/40/91/412224091.db2.gz HGBIOBZWDMSCKL-UWVGGRQHSA-N -1 0 319.383 -0.775 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2ccnc(C)n2)CC1 ZINC000663044714 412224114 /nfs/dbraw/zinc/22/41/14/412224114.db2.gz SDOOKYNYOVQHQF-AWEZNQCLSA-N -1 0 308.338 -0.077 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000663033687 412224124 /nfs/dbraw/zinc/22/41/24/412224124.db2.gz CYZPFVSLHVCITB-QUBYGPBYSA-N -1 0 312.244 -0.245 20 0 DBADRM COCCN1CCCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC1=O ZINC000663050352 412224143 /nfs/dbraw/zinc/22/41/43/412224143.db2.gz TXBFBMZZYDOLIS-CYBMUJFWSA-N -1 0 302.327 -0.817 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)[C@H](C(=O)[O-])C1CC1)CC2 ZINC000663047090 412224265 /nfs/dbraw/zinc/22/42/65/412224265.db2.gz AYPHCFOGYKDJJY-BXKDBHETSA-N -1 0 308.338 -0.034 20 0 DBADRM CC[C@@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1)C(=O)[O-] ZINC000663024127 412224385 /nfs/dbraw/zinc/22/43/85/412224385.db2.gz TVTPSJKSHOMXPW-KGYLQXTDSA-N -1 0 321.333 -0.041 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000663024232 412224445 /nfs/dbraw/zinc/22/44/45/412224445.db2.gz CFIIIUDJYNYREI-BXKDBHETSA-N -1 0 322.383 -0.955 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000663048026 412224450 /nfs/dbraw/zinc/22/44/50/412224450.db2.gz JQAPHIBLZYHMCE-ZDMBXUJBSA-N -1 0 302.327 -0.772 20 0 DBADRM Cc1ccc2ncc(C(=O)N3CCOC[C@@H]3C(=O)[O-])c(=O)n2c1 ZINC000663026768 412224498 /nfs/dbraw/zinc/22/44/98/412224498.db2.gz IOPFHCXFSJHDQN-LLVKDONJSA-N -1 0 317.301 -0.071 20 0 DBADRM Cc1cn2c(ncc(C(=O)N3CCOC[C@H]3C(=O)[O-])c2=O)s1 ZINC000663028419 412224589 /nfs/dbraw/zinc/22/45/89/412224589.db2.gz SZJBDIKHCMWRRG-VIFPVBQESA-N -1 0 323.330 -0.010 20 0 DBADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000663022804 412224612 /nfs/dbraw/zinc/22/46/12/412224612.db2.gz OQGQSYZOEGHUSF-VIFPVBQESA-N -1 0 321.399 -0.339 20 0 DBADRM CC(C)C[C@@H](NC(=O)C1(n2cnnn2)CCOCC1)C(=O)[O-] ZINC000663023886 412224625 /nfs/dbraw/zinc/22/46/25/412224625.db2.gz HSKMRAOHDGWJNR-SNVBAGLBSA-N -1 0 311.342 -0.206 20 0 DBADRM CCCn1nccc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000663058178 412225053 /nfs/dbraw/zinc/22/50/53/412225053.db2.gz WKHUSHBATXEOMR-JTQLQIEISA-N -1 0 315.351 -0.383 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000663075127 412225178 /nfs/dbraw/zinc/22/51/78/412225178.db2.gz JUHYYTHOWCLHBA-RYUDHWBXSA-N -1 0 310.350 -0.053 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@](C)(OC)C(=O)[O-])C1 ZINC000663062643 412225213 /nfs/dbraw/zinc/22/52/13/412225213.db2.gz HVQWUXXKROWPCH-KCJUWKMLSA-N -1 0 308.356 -0.984 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663062267 412225328 /nfs/dbraw/zinc/22/53/28/412225328.db2.gz STQPPMLPVPRVPZ-AXFHLTTASA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC000663062978 412225361 /nfs/dbraw/zinc/22/53/61/412225361.db2.gz CKMGHXJAYRMGEO-JTQLQIEISA-N -1 0 316.379 -0.052 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC000663052697 412225438 /nfs/dbraw/zinc/22/54/38/412225438.db2.gz VVHINXJLKMRHAO-WPRPVWTQSA-N -1 0 304.368 -0.505 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC000663059598 412225542 /nfs/dbraw/zinc/22/55/42/412225542.db2.gz GEIMRYIGYIZNKZ-LLVKDONJSA-N -1 0 321.341 -0.354 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC000663052695 412225694 /nfs/dbraw/zinc/22/56/94/412225694.db2.gz VVHINXJLKMRHAO-SCZZXKLOSA-N -1 0 304.368 -0.505 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCC(=O)NCc1cccnc1 ZINC000663102059 412226226 /nfs/dbraw/zinc/22/62/26/412226226.db2.gz KLZNHJXBYBAHIP-CQSZACIVSA-N -1 0 309.322 -0.306 20 0 DBADRM CCN(CCCNC(=O)[C@@](C)(OC)C(=O)[O-])S(C)(=O)=O ZINC000663093966 412226402 /nfs/dbraw/zinc/22/64/02/412226402.db2.gz DEUDCHCCPUFSDY-LLVKDONJSA-N -1 0 310.372 -0.736 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000663084412 412226492 /nfs/dbraw/zinc/22/64/92/412226492.db2.gz UNTRVGLZDLGSNB-ZANVPECISA-N -1 0 310.310 -0.869 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663098491 412226534 /nfs/dbraw/zinc/22/65/34/412226534.db2.gz LCDWMKGTQPPGGG-VHSXEESVSA-N -1 0 304.368 -0.363 20 0 DBADRM CC(C)(CNC(=O)[C@@]1(C(=O)[O-])CC1(C)C)NS(C)(=O)=O ZINC000663094389 412226538 /nfs/dbraw/zinc/22/65/38/412226538.db2.gz MUGNTMUAOPKJPN-GFCCVEGCSA-N -1 0 306.384 -0.069 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC000663079286 412226798 /nfs/dbraw/zinc/22/67/98/412226798.db2.gz NEYITLHFZSHUSL-SNVBAGLBSA-N -1 0 304.368 -0.409 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C1(C(=O)[O-])CC=CC1 ZINC000663126970 412226840 /nfs/dbraw/zinc/22/68/40/412226840.db2.gz FCPNAVWSHYTEIU-BDAKNGLRSA-N -1 0 303.336 -0.664 20 0 DBADRM CN(CCCNC(=O)[C@]1(C(=O)[O-])CC1(C)C)S(C)(=O)=O ZINC000663080318 412226847 /nfs/dbraw/zinc/22/68/47/412226847.db2.gz FSFACFLKJIYTMQ-LBPRGKRZSA-N -1 0 306.384 -0.115 20 0 DBADRM O=C([O-])C1(C(=O)NCCN2CCCS2(=O)=O)CC=CC1 ZINC000663088978 412226885 /nfs/dbraw/zinc/22/68/85/412226885.db2.gz ORLJSKUDQVGOJN-UHFFFAOYSA-N -1 0 302.352 -0.441 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000663108624 412226915 /nfs/dbraw/zinc/22/69/15/412226915.db2.gz HQGQLHQQDXWRKA-HNNXBMFYSA-N -1 0 323.349 -0.312 20 0 DBADRM CC(C)(CNC(=O)[C@]1(C(=O)[O-])CC1(C)C)NS(C)(=O)=O ZINC000663094390 412226918 /nfs/dbraw/zinc/22/69/18/412226918.db2.gz MUGNTMUAOPKJPN-LBPRGKRZSA-N -1 0 306.384 -0.069 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)C2(C(=O)[O-])CCC2)cn1 ZINC000663117959 412226952 /nfs/dbraw/zinc/22/69/52/412226952.db2.gz UFTURECOTGXEQA-UHFFFAOYSA-N -1 0 324.337 -0.161 20 0 DBADRM CN(CCCNC(=O)C1(C(=O)[O-])CC=CC1)S(C)(=O)=O ZINC000663082935 412226971 /nfs/dbraw/zinc/22/69/71/412226971.db2.gz ZMJKZDZGMBHFBX-UHFFFAOYSA-N -1 0 304.368 -0.195 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2ccc(-n3cnnn3)cn2)CCOC1 ZINC000663131675 412227408 /nfs/dbraw/zinc/22/74/08/412227408.db2.gz GTGTXNKFKLVVNT-GFCCVEGCSA-N -1 0 304.266 -0.969 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000663127384 412227491 /nfs/dbraw/zinc/22/74/91/412227491.db2.gz LGJRPYQWHDIFDG-IWSPIJDZSA-N -1 0 307.368 -0.339 20 0 DBADRM CN1CC(=O)N(CC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1=O ZINC000663140109 412227608 /nfs/dbraw/zinc/22/76/08/412227608.db2.gz IUTNEQCBQMAGCG-UHFFFAOYSA-N -1 0 323.309 -0.465 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H](C(=O)[O-])C2CC2)CCN1S(C)(=O)=O ZINC000663134706 412227951 /nfs/dbraw/zinc/22/79/51/412227951.db2.gz ZEAGCOZLRLGPDG-SCZZXKLOSA-N -1 0 304.368 -0.411 20 0 DBADRM CN1CC[C@@H](C(=O)NC[C@@H](C(=O)[O-])C2CCC2)S1(=O)=O ZINC000663153469 412228523 /nfs/dbraw/zinc/22/85/23/412228523.db2.gz LKARIDCFBASAOZ-ZJUUUORDSA-N -1 0 304.368 -0.363 20 0 DBADRM O=C([O-])CN1CC[C@@H](n2nnnc2Cc2ccccn2)C1=O ZINC000663218927 412228583 /nfs/dbraw/zinc/22/85/83/412228583.db2.gz FSAMVGBMNMAHBA-SNVBAGLBSA-N -1 0 302.294 -0.483 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2C(=O)C(=O)N(C3CCCC3)C2=O)C1=O ZINC000663219480 412228632 /nfs/dbraw/zinc/22/86/32/412228632.db2.gz OIVUSHQEHBFJFC-SECBINFHSA-N -1 0 323.305 -0.595 20 0 DBADRM O=C([O-])CN1CC[C@H](n2nnn(-c3ccccc3)c2=O)C1=O ZINC000663220326 412228683 /nfs/dbraw/zinc/22/86/83/412228683.db2.gz PSQPUJQORSWAKE-JTQLQIEISA-N -1 0 303.278 -0.713 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663153904 412228845 /nfs/dbraw/zinc/22/88/45/412228845.db2.gz PLTHTJMEZZLDGL-LLVKDONJSA-N -1 0 322.365 -0.002 20 0 DBADRM COc1ccc(O[C@@H]2CCN(CC(=O)[O-])C2=O)c(C(N)=O)c1 ZINC000663220427 412229257 /nfs/dbraw/zinc/22/92/57/412229257.db2.gz RDYYUWJYZPAVEY-LLVKDONJSA-N -1 0 308.290 -0.142 20 0 DBADRM NS(=O)(=O)c1cc(CNC(=O)C2(C(=O)[O-])CC2)ccc1F ZINC000663145293 412229469 /nfs/dbraw/zinc/22/94/69/412229469.db2.gz XISYHLDMAYNPIU-UHFFFAOYSA-N -1 0 316.310 -0.046 20 0 DBADRM O=C([O-])[C@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCC1 ZINC000663218069 412229571 /nfs/dbraw/zinc/22/95/71/412229571.db2.gz YKJSXMUQGUPRSN-VHSXEESVSA-N -1 0 304.368 -0.026 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)[O-] ZINC000663287841 412230334 /nfs/dbraw/zinc/23/03/34/412230334.db2.gz LBZSJMHHZDLKDX-DTWKUNHWSA-N -1 0 304.368 -0.268 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000663287609 412230351 /nfs/dbraw/zinc/23/03/51/412230351.db2.gz RKICTDWMURZJNH-WKEGUHRASA-N -1 0 307.299 -0.053 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CC2(CCOCC2)[C@@H]1C(=O)[O-] ZINC000663286343 412230509 /nfs/dbraw/zinc/23/05/09/412230509.db2.gz BMWPLTRTJMIFJN-JTQLQIEISA-N -1 0 315.351 -0.028 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC000663345791 412231224 /nfs/dbraw/zinc/23/12/24/412231224.db2.gz AKYWKENYAWGYOM-UHFFFAOYSA-N -1 0 324.341 -0.257 20 0 DBADRM Cn1cccc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1=O ZINC000663602883 412235417 /nfs/dbraw/zinc/23/54/17/412235417.db2.gz PAVKPKPJFAMWDH-SNVBAGLBSA-N -1 0 321.333 -0.059 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)OC ZINC000663627296 412236492 /nfs/dbraw/zinc/23/64/92/412236492.db2.gz DLWLOGSFWLSLIH-GHMZBOCLSA-N -1 0 316.354 -0.619 20 0 DBADRM Cn1nccc1CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663621142 412236850 /nfs/dbraw/zinc/23/68/50/412236850.db2.gz PIGKCUDOCZQITD-LLVKDONJSA-N -1 0 308.338 -0.347 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663622081 412236870 /nfs/dbraw/zinc/23/68/70/412236870.db2.gz HEIOUBHTXLQFBD-GFCCVEGCSA-N -1 0 322.365 -0.075 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663623175 412236895 /nfs/dbraw/zinc/23/68/95/412236895.db2.gz IBVMFZBMVCRQMQ-SNVBAGLBSA-N -1 0 313.354 -0.802 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)n1 ZINC000663624185 412237015 /nfs/dbraw/zinc/23/70/15/412237015.db2.gz OVSFZPFNFVUEDC-SNVBAGLBSA-N -1 0 324.337 -0.346 20 0 DBADRM Cc1nc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)no1 ZINC000663624569 412237026 /nfs/dbraw/zinc/23/70/26/412237026.db2.gz OOBQANSUSPHSKN-SECBINFHSA-N -1 0 310.310 -0.389 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NCCCn1ccnn1)C1CCC1 ZINC000663624233 412237073 /nfs/dbraw/zinc/23/70/73/412237073.db2.gz MPTDHBJXMMWHKN-NSHDSACASA-N -1 0 323.353 -0.599 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663621540 412237225 /nfs/dbraw/zinc/23/72/25/412237225.db2.gz RTYBJLACHDLSEX-SNVBAGLBSA-N -1 0 313.354 -0.802 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663637243 412237662 /nfs/dbraw/zinc/23/76/62/412237662.db2.gz YCCJLAYSAOCJCJ-IAQYHMDHSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CCO)C1CCC1 ZINC000663639935 412237844 /nfs/dbraw/zinc/23/78/44/412237844.db2.gz ZCDGJVFBQAVHDW-NEPJUHHUSA-N -1 0 312.366 -0.023 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)n1 ZINC000663636853 412237875 /nfs/dbraw/zinc/23/78/75/412237875.db2.gz BVHHRWBJOXCOPQ-SNVBAGLBSA-N -1 0 324.337 -0.046 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663637189 412237992 /nfs/dbraw/zinc/23/79/92/412237992.db2.gz XUOUKCBRLBVNJA-LLVKDONJSA-N -1 0 313.354 -0.754 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663637924 412238018 /nfs/dbraw/zinc/23/80/18/412238018.db2.gz KJEZMAHCPMFPKS-ADEWGFFLSA-N -1 0 312.366 -0.167 20 0 DBADRM Cn1c(=O)cc(N2CCC[C@@H](c3n[n-]c(=O)o3)C2)n(C)c1=O ZINC000663870464 412242311 /nfs/dbraw/zinc/24/23/11/412242311.db2.gz FJPJZOVQAQIVDN-MRVPVSSYSA-N -1 0 307.310 -0.443 20 0 DBADRM Cn1c(=O)cc(N2CCC[C@H](c3n[n-]c(=O)o3)C2)n(C)c1=O ZINC000663870474 412242380 /nfs/dbraw/zinc/24/23/80/412242380.db2.gz FJPJZOVQAQIVDN-QMMMGPOBSA-N -1 0 307.310 -0.443 20 0 DBADRM CS(=O)(=O)NCCNC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665302340 412305610 /nfs/dbraw/zinc/30/56/10/412305610.db2.gz PZQKEOIHUUZZKS-VIFPVBQESA-N -1 0 307.372 -0.664 20 0 DBADRM O=C([O-])[C@H](CNC(=O)N1CCN2C(=O)NC[C@H]2C1)C1CCC1 ZINC000665323967 412307846 /nfs/dbraw/zinc/30/78/46/412307846.db2.gz JKTIRXJXXBNREJ-WDEREUQCSA-N -1 0 310.354 -0.094 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)C1CCC1 ZINC000665321159 412308446 /nfs/dbraw/zinc/30/84/46/412308446.db2.gz AGBBSHNOPCKPPG-VHSXEESVSA-N -1 0 324.337 -0.567 20 0 DBADRM C[C@](O)(CNc1ccc2nnc(C(F)(F)F)n2n1)C(=O)[O-] ZINC000573922639 412319002 /nfs/dbraw/zinc/31/90/02/412319002.db2.gz ADTIWPJJSXGZEN-VIFPVBQESA-N -1 0 305.216 0.391 20 0 DBADRM CC(C)C[C@@H](CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C)C(=O)[O-] ZINC000424377773 412323535 /nfs/dbraw/zinc/32/35/35/412323535.db2.gz RUTJNQBLWUEPCS-QMMMGPOBSA-N -1 0 323.353 0.531 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1cc(OC(F)F)n(C)n1 ZINC000357098275 412360153 /nfs/dbraw/zinc/36/01/53/412360153.db2.gz ABUJZPRUHWWOFM-UHFFFAOYSA-N -1 0 313.282 0.326 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)NC[C@H](C(=O)[O-])C2CCC2)O1 ZINC000665308200 412304729 /nfs/dbraw/zinc/30/47/29/412304729.db2.gz XBHBDINJGGQMIP-VWYCJHECSA-N -1 0 313.354 -0.181 20 0 DBADRM COc1cc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)nn1C ZINC000548477504 412436561 /nfs/dbraw/zinc/43/65/61/412436561.db2.gz LYTZOYFBRJOVTC-UHFFFAOYSA-N -1 0 310.335 0.328 20 0 DBADRM O=C(Nc1nnn[n-]1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000342853007 412411732 /nfs/dbraw/zinc/41/17/32/412411732.db2.gz RPXDUNZEHRRCEJ-UHFFFAOYSA-N -1 0 301.241 0.137 20 0 DBADRM O=C([O-])c1cn(CCNc2ccc3nnc(C(F)F)n3n2)nn1 ZINC000579359902 412417604 /nfs/dbraw/zinc/41/76/04/412417604.db2.gz VYFLLKULJBBCAJ-UHFFFAOYSA-N -1 0 324.251 0.464 20 0 DBADRM COc1ccc(-n2cc([O-])c(C(=O)Nc3nn[nH]n3)n2)cc1 ZINC000354736279 412437466 /nfs/dbraw/zinc/43/74/66/412437466.db2.gz HRAZURVRRMBLRP-UHFFFAOYSA-N -1 0 301.266 0.352 20 0 DBADRM CCOc1ncccc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000354725634 412439050 /nfs/dbraw/zinc/43/90/50/412439050.db2.gz KVAWWSNBSNJLER-UHFFFAOYSA-N -1 0 311.323 0.254 20 0 DBADRM COc1nc(NC[C@@H]2CS(=O)(=O)CCO2)ccc1C(=O)[O-] ZINC000565034041 412455963 /nfs/dbraw/zinc/45/59/63/412455963.db2.gz CSRVRSPNVTVKDT-MRVPVSSYSA-N -1 0 316.335 0.014 20 0 DBADRM CS(=O)(=O)N1CCC(CNc2ccc(C(=O)[O-])nn2)CC1 ZINC000577497378 412458815 /nfs/dbraw/zinc/45/88/15/412458815.db2.gz XJWIRRYUJYJOOL-UHFFFAOYSA-N -1 0 314.367 0.258 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1CNc1ncncc1C(=O)[O-] ZINC000563213458 412458906 /nfs/dbraw/zinc/45/89/06/412458906.db2.gz IHWASCNWZHZNNJ-VIFPVBQESA-N -1 0 314.367 0.401 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNc1ncncc1C(=O)[O-] ZINC000581610350 412459133 /nfs/dbraw/zinc/45/91/33/412459133.db2.gz KLCAELMRVDUNKA-MRVPVSSYSA-N -1 0 300.340 0.011 20 0 DBADRM CCn1ccnc(N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1=O ZINC000416442677 412463851 /nfs/dbraw/zinc/46/38/51/412463851.db2.gz FYOZGZVYRQIUGY-MNOVXSKESA-N -1 0 322.365 0.385 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)NCCCCC(=O)[O-] ZINC000666543427 418938869 /nfs/dbraw/zinc/93/88/69/418938869.db2.gz FDKPJYLMUZPDNI-UHFFFAOYSA-N -1 0 324.403 -0.627 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N(CCO)CCC(=O)[O-] ZINC000650414271 418942223 /nfs/dbraw/zinc/94/22/23/418942223.db2.gz VEKFHJVXCRRVMK-UHFFFAOYSA-N -1 0 318.351 -0.062 20 0 DBADRM Cn1nncc1S(=O)(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000650413579 418942622 /nfs/dbraw/zinc/94/26/22/418942622.db2.gz IIUGCFGMYZZLKP-SNVBAGLBSA-N -1 0 324.318 -0.144 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000663022418 418944044 /nfs/dbraw/zinc/94/40/44/418944044.db2.gz JVQBTYUTIGRSBR-SSDOTTSWSA-N -1 0 302.308 -0.075 20 0 DBADRM CO[C@@H]1CC[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1 ZINC000663055018 418946666 /nfs/dbraw/zinc/94/66/66/418946666.db2.gz SWHSVOXBNBGABI-IVZWLZJFSA-N -1 0 305.352 -0.488 20 0 DBADRM Cn1nccc1[C@H](NC(=O)c1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC000663060883 418947228 /nfs/dbraw/zinc/94/72/28/418947228.db2.gz PYJAYFHRIZAVOV-QMMMGPOBSA-N -1 0 307.314 -0.283 20 0 DBADRM O=C([O-])CC1(NC(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000652117209 418950553 /nfs/dbraw/zinc/95/05/53/418950553.db2.gz ISKSUBCYLJFRSS-UHFFFAOYSA-N -1 0 302.290 -0.085 20 0 DBADRM Cc1nn(CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c(=O)n1C ZINC000655536955 418953156 /nfs/dbraw/zinc/95/31/56/418953156.db2.gz NINBICVYXOJSFS-GFCCVEGCSA-N -1 0 318.333 -0.298 20 0 DBADRM CCCNC(=O)CN1CCC(NC(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000666335907 418979247 /nfs/dbraw/zinc/97/92/47/418979247.db2.gz VFDQNJUCVKSHHQ-UHFFFAOYSA-N -1 0 323.397 -0.154 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1=O ZINC000666534622 418983130 /nfs/dbraw/zinc/98/31/30/418983130.db2.gz MDKLBUALMRSRCY-ZNSHCXBVSA-N -1 0 311.338 -0.509 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)[C@H]1OC ZINC000666542883 418983206 /nfs/dbraw/zinc/98/32/06/418983206.db2.gz CNQPHLCEYVOVHM-ZRUFSTJUSA-N -1 0 302.327 -0.326 20 0 DBADRM CC[C@H](CNS(=O)(=O)c1cc(C(=O)NC)n(C)c1)C(=O)[O-] ZINC000087497958 544419910 /nfs/dbraw/zinc/41/99/10/544419910.db2.gz UMFBTBXJAVNICC-MRVPVSSYSA-N -1 0 317.367 -0.226 20 0 DBADRM O=C([O-])CCN(C(=O)Cn1nc2ccccn2c1=O)C1CC1 ZINC000238042352 544421717 /nfs/dbraw/zinc/42/17/17/544421717.db2.gz UGQGQVAOOZZIND-UHFFFAOYSA-N -1 0 304.306 -0.038 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C1CCOCC1 ZINC000668306913 544425034 /nfs/dbraw/zinc/42/50/34/544425034.db2.gz VLRVJWCSLMDDTO-QWRGUYRKSA-N -1 0 319.379 -0.050 20 0 DBADRM O=C(CN1CSCC1=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000668311386 544426456 /nfs/dbraw/zinc/42/64/56/544426456.db2.gz UXODROSJGBNXCB-NSHDSACASA-N -1 0 302.352 -0.485 20 0 DBADRM CN(C(=O)C1CC(C(=O)[O-])C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000668324066 544427196 /nfs/dbraw/zinc/42/71/96/544427196.db2.gz MOSSKXRGCYQGIX-RTBKNWGFSA-N -1 0 304.368 -0.411 20 0 DBADRM O=C([O-])CCC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000668324025 544427503 /nfs/dbraw/zinc/42/75/03/544427503.db2.gz LGZXRBXAAMDIDN-UHFFFAOYSA-N -1 0 304.368 -0.122 20 0 DBADRM CN(C[C@H]1CCCN(C(=O)C2(C(=O)[O-])CC2)C1)S(C)(=O)=O ZINC000668324416 544427639 /nfs/dbraw/zinc/42/76/39/544427639.db2.gz SIGNTQNTNAJWEB-SNVBAGLBSA-N -1 0 318.395 -0.019 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2CCC(C)(C(=O)[O-])CC2)c1=O ZINC000315927097 544433421 /nfs/dbraw/zinc/43/34/21/544433421.db2.gz QMKPWOJTNBPVMW-UHFFFAOYSA-N -1 0 309.322 -0.740 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c1 ZINC000328809049 544452129 /nfs/dbraw/zinc/45/21/29/544452129.db2.gz DUVQOQFTWDZYNW-UHFFFAOYSA-N -1 0 312.355 -0.188 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000080990847 544492413 /nfs/dbraw/zinc/49/24/13/544492413.db2.gz PAZPMCSYDSXEDS-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@H]2CCN(C)C2=O)cc1C(=O)[O-] ZINC000230952835 544471417 /nfs/dbraw/zinc/47/14/17/544471417.db2.gz UBZZZUIXZNNHIT-VIFPVBQESA-N -1 0 315.351 -0.285 20 0 DBADRM COc1ccc(CCNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1OC ZINC000074733770 544474400 /nfs/dbraw/zinc/47/44/00/544474400.db2.gz UJKSVBVYQCXDHC-UHFFFAOYSA-N -1 0 320.305 -0.140 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N(CCC(=O)[O-])CC2CC2)nn1 ZINC000675971749 544542173 /nfs/dbraw/zinc/54/21/73/544542173.db2.gz BHGUAORCVRVPKI-UHFFFAOYSA-N -1 0 323.353 -0.307 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC000653290027 544502620 /nfs/dbraw/zinc/50/26/20/544502620.db2.gz HMMQHUWEQDTDBS-GHMZBOCLSA-N -1 0 322.365 -0.050 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000231022811 544574364 /nfs/dbraw/zinc/57/43/64/544574364.db2.gz RZNJVIXKVBBJOJ-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000231018732 544574518 /nfs/dbraw/zinc/57/45/18/544574518.db2.gz OGLBHPZGXAXIIU-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000087480134 544581700 /nfs/dbraw/zinc/58/17/00/544581700.db2.gz CLCSJSOSQDGAHX-VHSXEESVSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@]12CCC(=O)N1[C@H](C(=O)NCCOCC(=O)[O-])CS2 ZINC000093227897 544606835 /nfs/dbraw/zinc/60/68/35/544606835.db2.gz IQSCFQHNJDLCHH-UFBFGSQYSA-N -1 0 302.352 -0.342 20 0 DBADRM CCn1cnc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000092890286 544605637 /nfs/dbraw/zinc/60/56/37/544605637.db2.gz CZXAUGFNTFGOIF-VIFPVBQESA-N -1 0 303.340 -0.233 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400255490 544636224 /nfs/dbraw/zinc/63/62/24/544636224.db2.gz FIYJTMQBMWRZAP-IUCAKERBSA-N -1 0 306.384 -0.117 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000405809184 544648686 /nfs/dbraw/zinc/64/86/86/544648686.db2.gz DRYNTETYQUPWJR-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)C1(n2cnnn2)CC1 ZINC000613875378 544661150 /nfs/dbraw/zinc/66/11/50/544661150.db2.gz SWCDEICWHCCCFT-UHFFFAOYSA-N -1 0 313.281 -0.518 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCC(=O)N1CCOCC1)C(=O)[O-] ZINC000385550907 544668687 /nfs/dbraw/zinc/66/86/87/544668687.db2.gz IPBOJYDBDXSEGN-SNVBAGLBSA-N -1 0 301.343 -0.499 20 0 DBADRM CCn1cc(S(=O)(=O)N2CC(=O)N[C@@H](C)C2)cc1C(=O)[O-] ZINC000387264210 544673204 /nfs/dbraw/zinc/67/32/04/544673204.db2.gz LKDUROLVLCHJPQ-QMMMGPOBSA-N -1 0 315.351 -0.285 20 0 DBADRM CC(C)(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])NS(C)(=O)=O ZINC000111774771 544680204 /nfs/dbraw/zinc/68/02/04/544680204.db2.gz MDSIODFORBRTNS-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM CC(C)(CNC(=O)c1cccc(C(=O)[O-])n1)NS(C)(=O)=O ZINC000112174149 544681149 /nfs/dbraw/zinc/68/11/49/544681149.db2.gz NNNUHJRJZLBEAG-UHFFFAOYSA-N -1 0 315.351 -0.163 20 0 DBADRM COCCOCCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000166146587 544683259 /nfs/dbraw/zinc/68/32/59/544683259.db2.gz ISVZVZJOFZWZGS-UHFFFAOYSA-N -1 0 304.343 -0.170 20 0 DBADRM C[C@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)C(=O)N(C)C ZINC000166138506 544683476 /nfs/dbraw/zinc/68/34/76/544683476.db2.gz TZVRCILASINFCI-VIFPVBQESA-N -1 0 301.343 -0.356 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000682521751 544643392 /nfs/dbraw/zinc/64/33/92/544643392.db2.gz BGKFSUHJZKPRCM-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM CN(C(=O)C1(C(=O)[O-])CCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000312746133 544722264 /nfs/dbraw/zinc/72/22/64/544722264.db2.gz WIDJRTZVPHMBHX-SECBINFHSA-N -1 0 304.368 -0.266 20 0 DBADRM CN(C(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000313982519 544725895 /nfs/dbraw/zinc/72/58/95/544725895.db2.gz MLNSVGWNNQKTIK-UTLUCORTSA-N -1 0 320.367 -0.889 20 0 DBADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000667667263 544746104 /nfs/dbraw/zinc/74/61/04/544746104.db2.gz IMXRPHVAIJETTC-MRVPVSSYSA-N -1 0 316.273 -0.052 20 0 DBADRM Cn1[n-]c(C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1=O ZINC000668059152 544755426 /nfs/dbraw/zinc/75/54/26/544755426.db2.gz GVIKBYPABCGYOI-GFCCVEGCSA-N -1 0 322.365 -0.021 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2nccn3nnnc23)C1=O ZINC000668171831 544757853 /nfs/dbraw/zinc/75/78/53/544757853.db2.gz FIEQNBVLIFEIKN-RKDXNWHRSA-N -1 0 319.325 -0.359 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)c1[O-] ZINC000672276376 544766313 /nfs/dbraw/zinc/76/63/13/544766313.db2.gz DTNOGDXHVCLCHV-SECBINFHSA-N -1 0 316.383 -0.032 20 0 DBADRM Cn1[n-]c(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1=O ZINC000667172080 544737393 /nfs/dbraw/zinc/73/73/93/544737393.db2.gz AELAYBQOFKJQNG-MRVPVSSYSA-N -1 0 302.356 -0.721 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]1 ZINC000673314197 544799814 /nfs/dbraw/zinc/79/98/14/544799814.db2.gz YOQSLJXARVSCIN-SSDOTTSWSA-N -1 0 303.344 -0.946 20 0 DBADRM Cc1oc(C(=O)NCc2nnn[n-]2)cc1S(=O)(=O)N(C)C ZINC000674685305 544834343 /nfs/dbraw/zinc/83/43/43/544834343.db2.gz SRFKBKCWOTXHQL-UHFFFAOYSA-N -1 0 314.327 -0.719 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1n[nH]c(=O)[n-]1 ZINC000673928662 544815197 /nfs/dbraw/zinc/81/51/97/544815197.db2.gz QVFDNVSXFHACOM-HTQZYQBOSA-N -1 0 307.310 -0.698 20 0 DBADRM C[C@]1(c2ccc(C(=O)NCc3nnn[n-]3)cc2)NC(=O)NC1=O ZINC000673963400 544817247 /nfs/dbraw/zinc/81/72/47/544817247.db2.gz KYFRUVRLGICIQS-CYBMUJFWSA-N -1 0 315.293 -0.816 20 0 DBADRM O=C(NC1(CO)Cc2ccccc2C1)c1n[nH]c(=O)[n-]c1=O ZINC000673114574 544796401 /nfs/dbraw/zinc/79/64/01/544796401.db2.gz YUDXVVGTUBMZEH-UHFFFAOYSA-N -1 0 302.290 -0.458 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000673122524 544796894 /nfs/dbraw/zinc/79/68/94/544796894.db2.gz UWRCDOCHTNBFEX-FJXKBIBVSA-N -1 0 311.367 -0.285 20 0 DBADRM CCn1cc(CNC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cn1 ZINC000673159877 544797029 /nfs/dbraw/zinc/79/70/29/544797029.db2.gz WENAKFVHLDZANH-SNVBAGLBSA-N -1 0 306.326 -0.651 20 0 DBADRM COc1cc(OC)c(NC(=O)C(=O)NCc2nnn[n-]2)cc1F ZINC000674891104 544840850 /nfs/dbraw/zinc/84/08/50/544840850.db2.gz MZLYYKBNSCUATR-UHFFFAOYSA-N -1 0 324.272 -0.389 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000676016794 544855528 /nfs/dbraw/zinc/85/55/28/544855528.db2.gz RWYSIAALPIAZFM-UHFFFAOYSA-N -1 0 309.282 -0.763 20 0 DBADRM NS(=O)(=O)c1cccc(NC(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000675546335 544850011 /nfs/dbraw/zinc/85/00/11/544850011.db2.gz JHEOOIDMIPJAMI-UHFFFAOYSA-N -1 0 312.311 -0.521 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000675981579 544856023 /nfs/dbraw/zinc/85/60/23/544856023.db2.gz NMNPGCAHTUIWTH-HNNXBMFYSA-N -1 0 321.333 -0.645 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N(CC(=O)[O-])CC1CC1 ZINC000675973734 544856083 /nfs/dbraw/zinc/85/60/83/544856083.db2.gz LMXANOMIGHMZGT-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@]12CCC(=O)N1CCS2 ZINC000676207967 544859673 /nfs/dbraw/zinc/85/96/73/544859673.db2.gz CBOVFRWMVOPGOP-GFCCVEGCSA-N -1 0 302.352 -0.389 20 0 DBADRM NC(=O)c1cccc(OCCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000676214330 544859688 /nfs/dbraw/zinc/85/96/88/544859688.db2.gz UFSLXDKODKUISM-GFCCVEGCSA-N -1 0 322.317 -0.134 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cccnc2N2CCOCC2)CCO1 ZINC000676214886 544859708 /nfs/dbraw/zinc/85/97/08/544859708.db2.gz UCBFFSUHTGHSIO-LBPRGKRZSA-N -1 0 321.333 -0.156 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)CCO1 ZINC000676212938 544859730 /nfs/dbraw/zinc/85/97/30/544859730.db2.gz CEZOOBYFBHDIJC-BIIVOSGPSA-N -1 0 324.255 -0.245 20 0 DBADRM Cc1csc(=O)n1CCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000676214475 544859775 /nfs/dbraw/zinc/85/97/75/544859775.db2.gz SGEYOVPHRJYUOJ-VIFPVBQESA-N -1 0 300.336 -0.080 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccccc1OCC(N)=O ZINC000676208762 544860141 /nfs/dbraw/zinc/86/01/41/544860141.db2.gz FFOMATFXWVUHIH-UHFFFAOYSA-N -1 0 310.306 -0.276 20 0 DBADRM CS(=O)(=O)NCCc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000676209731 544860155 /nfs/dbraw/zinc/86/01/55/544860155.db2.gz FAHPTJYKUZOAPA-UHFFFAOYSA-N -1 0 300.336 -0.407 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000676212035 544860176 /nfs/dbraw/zinc/86/01/76/544860176.db2.gz AHHCTCNOUGWAOD-QMMMGPOBSA-N -1 0 308.356 -0.984 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000676213042 544860181 /nfs/dbraw/zinc/86/01/81/544860181.db2.gz IFGBPUXYLVLLRT-QWRGUYRKSA-N -1 0 311.338 -0.953 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1[O-] ZINC000676692517 544875906 /nfs/dbraw/zinc/87/59/06/544875906.db2.gz AYMRAOSBYYSJRD-VIFPVBQESA-N -1 0 316.383 -0.175 20 0 DBADRM O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1n[nH]c(=O)[n-]c1=O ZINC000677951837 544902748 /nfs/dbraw/zinc/90/27/48/544902748.db2.gz ZIIWHWCBACPACL-VIFPVBQESA-N -1 0 315.289 -0.182 20 0 DBADRM CC(C)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N1CCOCC1 ZINC000677949011 544903158 /nfs/dbraw/zinc/90/31/58/544903158.db2.gz ITGXRUMBABXDKS-SECBINFHSA-N -1 0 311.342 -0.631 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000678431333 544913379 /nfs/dbraw/zinc/91/33/79/544913379.db2.gz BDONKDXAVYAFRR-MRVPVSSYSA-N -1 0 302.356 -0.422 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)C1(C(N)=O)CC1 ZINC000679096130 544924988 /nfs/dbraw/zinc/92/49/88/544924988.db2.gz HNSOWXUIHZAHFH-SECBINFHSA-N -1 0 311.338 -0.967 20 0 DBADRM CN(CCCNC(=O)N1CCC[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC000679547828 544933538 /nfs/dbraw/zinc/93/35/38/544933538.db2.gz GIZNXEICPVQBHX-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CC(C)[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC000679547706 544933561 /nfs/dbraw/zinc/93/35/61/544933561.db2.gz BCJAGDCGWRVUHG-SECBINFHSA-N -1 0 309.388 -0.324 20 0 DBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)NCC(=O)[O-])cc1 ZINC000679550143 544933618 /nfs/dbraw/zinc/93/36/18/544933618.db2.gz LOSCQGJPVOANAH-UHFFFAOYSA-N -1 0 315.351 -0.380 20 0 DBADRM COC[C@@H](C)C(=O)N1CCO[C@H](CN(CC(=O)[O-])C(C)=O)C1 ZINC000681943907 544988069 /nfs/dbraw/zinc/98/80/69/544988069.db2.gz PSNNDONSMMEWRW-PWSUYJOCSA-N -1 0 316.354 -0.571 20 0 DBADRM COCCC(=O)N1CCO[C@H](CN(CC(=O)[O-])C(C)=O)C1 ZINC000681942840 544988751 /nfs/dbraw/zinc/98/87/51/544988751.db2.gz FKVJMXDAUOXRLE-NSHDSACASA-N -1 0 302.327 -0.817 20 0 DBADRM C[C@](CO)(CNS(=O)(=O)CC[C@H]1CCCO1)CC(=O)[O-] ZINC000681954031 544989966 /nfs/dbraw/zinc/98/99/66/544989966.db2.gz KSANXNSRGKJXAL-ZYHUDNBSSA-N -1 0 309.384 -0.052 20 0 DBADRM CC1(C)CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCN1CCO ZINC000682010360 544991958 /nfs/dbraw/zinc/99/19/58/544991958.db2.gz JJDDQMKTDHQRIE-UHFFFAOYSA-N -1 0 315.399 -0.483 20 0 DBADRM COC[C@@](C)(CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000681076293 544961803 /nfs/dbraw/zinc/96/18/03/544961803.db2.gz RZXJVYUJVPTIFM-CQSZACIVSA-N -1 0 322.321 -0.128 20 0 DBADRM Cc1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])ccc1-n1cnnn1 ZINC000681129930 544964118 /nfs/dbraw/zinc/96/41/18/544964118.db2.gz OEHPPPSZBGHHOO-CYBMUJFWSA-N -1 0 305.294 -0.464 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N(CCO)CCC(=O)[O-])c1 ZINC000681584648 544975785 /nfs/dbraw/zinc/97/57/85/544975785.db2.gz AYRVCJSAHUCDTF-UHFFFAOYSA-N -1 0 303.340 -0.570 20 0 DBADRM CC(C)c1nc(S(=O)(=O)N(CCO)CCC(=O)[O-])c[nH]1 ZINC000681584465 544975790 /nfs/dbraw/zinc/97/57/90/544975790.db2.gz CDFKBNJDTXUUKB-UHFFFAOYSA-N -1 0 305.356 -0.009 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)[C@H]1CCOC1 ZINC000681566000 544975833 /nfs/dbraw/zinc/97/58/33/544975833.db2.gz DRGDMTHDJWVSMC-GARJFASQSA-N -1 0 307.368 -0.035 20 0 DBADRM CN(C1CC1)S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000681575017 544975935 /nfs/dbraw/zinc/97/59/35/544975935.db2.gz MVQOJHXDZNYPMZ-JTQLQIEISA-N -1 0 302.356 -0.656 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)CC[C@H]1CCCO1)[C@@H]1CCOC1 ZINC000681566001 544975996 /nfs/dbraw/zinc/97/59/96/544975996.db2.gz DRGDMTHDJWVSMC-GMTAPVOTSA-N -1 0 307.368 -0.035 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000682521940 545000356 /nfs/dbraw/zinc/00/03/56/545000356.db2.gz CNBAKPSWAMOXLJ-IUCAKERBSA-N -1 0 305.352 -0.440 20 0 DBADRM Cc1c([C@H](NS(=O)(=O)N(C)C2CC2)C(=O)[O-])cnn1C ZINC000682699057 545003979 /nfs/dbraw/zinc/00/39/79/545003979.db2.gz TXNKBKYUJOKCEP-JTQLQIEISA-N -1 0 302.356 -0.217 20 0 DBADRM C[C@]1(C2CCN(C(=O)C3CC(C(=O)[O-])C3)CC2)NC(=O)NC1=O ZINC000682705421 545005050 /nfs/dbraw/zinc/00/50/50/545005050.db2.gz YBJWGRYEALWJJO-GKHYQBCPSA-N -1 0 323.349 -0.066 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC000683339995 545009447 /nfs/dbraw/zinc/00/94/47/545009447.db2.gz YMEDDSNICSBWLN-UTLUCORTSA-N -1 0 320.367 -0.841 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)c[nH]1 ZINC000683433772 545010217 /nfs/dbraw/zinc/01/02/17/545010217.db2.gz FWPYQXGWYMRBLY-BXKDBHETSA-N -1 0 315.351 -0.170 20 0 DBADRM C[C@H](CN1CCOCC1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000684069935 545016877 /nfs/dbraw/zinc/01/68/77/545016877.db2.gz XZQRCPWAGONHRR-SNVBAGLBSA-N -1 0 310.354 -0.721 20 0 DBADRM O=C(NC[C@@H]1COc2ccccc2O1)c1n[nH]c(=O)[n-]c1=O ZINC000684375595 545019984 /nfs/dbraw/zinc/01/99/84/545019984.db2.gz UBADLDROEVRXMQ-SSDOTTSWSA-N -1 0 304.262 -0.147 20 0 DBADRM CN1CCN(CC(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CC1 ZINC000684493314 545021068 /nfs/dbraw/zinc/02/10/68/545021068.db2.gz RVEQPOSERQWHHZ-UHFFFAOYSA-N -1 0 317.353 -0.446 20 0 DBADRM CN(CCCNC(=O)N[C@H](C(=O)[O-])C1CC1)S(C)(=O)=O ZINC000684721069 545023273 /nfs/dbraw/zinc/02/32/73/545023273.db2.gz LWSLFJAJTZKVGL-VIFPVBQESA-N -1 0 307.372 -0.570 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)NCCCS(C)(=O)=O ZINC000684727047 545023300 /nfs/dbraw/zinc/02/33/00/545023300.db2.gz UFRUHQVNGODAOQ-SECBINFHSA-N -1 0 310.372 -0.448 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N[C@]2(C(=O)[O-])CCOC2)CC1 ZINC000684740831 545023429 /nfs/dbraw/zinc/02/34/29/545023429.db2.gz LUEPEAVXEWHIHB-GFCCVEGCSA-N -1 0 320.367 -0.646 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)NCc1nnnn1C1CC1 ZINC000684744018 545023441 /nfs/dbraw/zinc/02/34/41/545023441.db2.gz YWSRCMNNBSUPRV-SECBINFHSA-N -1 0 312.330 -0.361 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000279954963 545026249 /nfs/dbraw/zinc/02/62/49/545026249.db2.gz IEEDKAFHLUCCNP-UHFFFAOYSA-N -1 0 322.364 -0.420 20 0 DBADRM NC(=O)Cc1ccc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)cc1 ZINC000685896862 545035152 /nfs/dbraw/zinc/03/51/52/545035152.db2.gz ZPAGKFSAIQFTRG-NWDGAFQWSA-N -1 0 306.318 -0.037 20 0 DBADRM COCC[C@@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000052784659 545037782 /nfs/dbraw/zinc/03/77/82/545037782.db2.gz BFXFCGUCBPKXCO-ZJUUUORDSA-N -1 0 322.383 -0.594 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000390139509 545038029 /nfs/dbraw/zinc/03/80/29/545038029.db2.gz GCFIUVAWKQDVNH-MRVPVSSYSA-N -1 0 309.388 -0.276 20 0 DBADRM CC(C)(CNC(=O)N[C@H](CC1CC1)C(=O)[O-])NS(C)(=O)=O ZINC000385751133 545038105 /nfs/dbraw/zinc/03/81/05/545038105.db2.gz VYKVJNHSSNNCRG-SECBINFHSA-N -1 0 321.399 -0.133 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000320270895 265687090 /nfs/dbraw/zinc/68/70/90/265687090.db2.gz TZNPSCVZYIZGFZ-XCBNKYQSSA-N -1 0 319.273 -0.378 20 0 DBADRM CCNS(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417445514 265745280 /nfs/dbraw/zinc/74/52/80/265745280.db2.gz HGFCCWGQAZKFSM-IUCAKERBSA-N -1 0 307.372 -0.860 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000422573476 265879047 /nfs/dbraw/zinc/87/90/47/265879047.db2.gz OVIJNCSNQQCUIB-NXEZZACHSA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCOCC(F)F)C1 ZINC000422703471 265879965 /nfs/dbraw/zinc/87/99/65/265879965.db2.gz NEGZNORBVRKIGD-IUCAKERBSA-N -1 0 322.308 -0.047 20 0 DBADRM COCCCN(CCOC)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000422754143 265880345 /nfs/dbraw/zinc/88/03/45/265880345.db2.gz ADTRZEXJCOCZSR-NSHDSACASA-N -1 0 316.354 -0.569 20 0 DBADRM CCN1CCN(C(=O)C(=O)N(C)CCCC(=O)[O-])[C@H](C)C1=O ZINC000422842614 265881924 /nfs/dbraw/zinc/88/19/24/265881924.db2.gz GCSPQHWOCXRLEB-SNVBAGLBSA-N -1 0 313.354 -0.611 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C[C@@H]1OC ZINC000422853458 265881989 /nfs/dbraw/zinc/88/19/89/265881989.db2.gz BXNFFMXBUVJUFO-RBZYPMLTSA-N -1 0 314.338 -0.818 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCCCF ZINC000424383094 265932167 /nfs/dbraw/zinc/93/21/67/265932167.db2.gz AKKLMWWKMUWHHF-ZETCQYMHSA-N -1 0 322.318 -0.668 20 0 DBADRM CC(C)C[C@@H](CNC(=O)NCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000424408148 265933966 /nfs/dbraw/zinc/93/39/66/265933966.db2.gz KXZIQACPFUTBBP-VIFPVBQESA-N -1 0 314.342 -0.416 20 0 DBADRM CSC[C@@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424410939 265933974 /nfs/dbraw/zinc/93/39/74/265933974.db2.gz NXDCLSYJSXVWDY-HTQZYQBOSA-N -1 0 310.397 -0.369 20 0 DBADRM CSc1cncc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424467152 265934276 /nfs/dbraw/zinc/93/42/76/265934276.db2.gz HRDKXGGYCBPLLF-ZETCQYMHSA-N -1 0 303.365 -0.114 20 0 DBADRM CN(Cc1nccn1C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424476314 265936695 /nfs/dbraw/zinc/93/66/95/265936695.db2.gz CVUVTSKBTMTOIK-UHFFFAOYSA-N -1 0 310.354 -0.004 20 0 DBADRM C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424479260 265936703 /nfs/dbraw/zinc/93/67/03/265936703.db2.gz HLEMVPDGKMELLY-ZJUUUORDSA-N -1 0 300.355 -0.167 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CCO1 ZINC000424475584 265936849 /nfs/dbraw/zinc/93/68/49/265936849.db2.gz BWCKFZNULPQGHC-JTQLQIEISA-N -1 0 316.354 -0.523 20 0 DBADRM CCOc1nc2cc(C(=O)NCCS(N)(=O)=O)ccc2[nH]1 ZINC000431744580 266026075 /nfs/dbraw/zinc/02/60/75/266026075.db2.gz NVQRSPAFAZDGKL-UHFFFAOYSA-N -1 0 312.351 -0.020 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@@H]2CCCC(=O)N2)cc1C(=O)[O-] ZINC000432741778 266033886 /nfs/dbraw/zinc/03/38/86/266033886.db2.gz JRKVJGVYSYXISG-QMMMGPOBSA-N -1 0 315.351 -0.330 20 0 DBADRM COC[C@@](C)(CC(=O)OC)NC(=O)c1cnc([O-])n(C)c1=O ZINC000435360362 266060727 /nfs/dbraw/zinc/06/07/27/266060727.db2.gz DUGLUUDUXPSZND-CYBMUJFWSA-N -1 0 313.310 -0.816 20 0 DBADRM C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)C[C@H]1O ZINC000435709541 266062234 /nfs/dbraw/zinc/06/22/34/266062234.db2.gz PMJXIGMYEIZVCW-VXGBXAGGSA-N -1 0 322.317 -0.414 20 0 DBADRM CNC(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436701548 266073107 /nfs/dbraw/zinc/07/31/07/266073107.db2.gz YWQPCENXPPTKRT-UHFFFAOYSA-N -1 0 315.351 -0.882 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]c2ncn(C)c2C(N)=O)cn1 ZINC000442607904 266126810 /nfs/dbraw/zinc/12/68/10/266126810.db2.gz UOGSFEFWQPQWPQ-UHFFFAOYSA-N -1 0 311.323 -0.277 20 0 DBADRM COC(=O)[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)[C@H](C)O ZINC000442921408 266131484 /nfs/dbraw/zinc/13/14/84/266131484.db2.gz NAJFPVYPRVHFFD-OIBJUYFYSA-N -1 0 321.289 -0.318 20 0 DBADRM O=C(CNS(=O)(=O)[N-]CC(F)(F)F)NCc1ccco1 ZINC000442915238 266132206 /nfs/dbraw/zinc/13/22/06/266132206.db2.gz WBPBNBHNJGYUBE-UHFFFAOYSA-N -1 0 315.273 -0.118 20 0 DBADRM COCC(=O)N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000442918403 266132290 /nfs/dbraw/zinc/13/22/90/266132290.db2.gz JMRQTSRCYNCOKA-UHFFFAOYSA-N -1 0 319.305 -0.826 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]CC(F)(F)F)[C@H](C)C1 ZINC000443007520 266133719 /nfs/dbraw/zinc/13/37/19/266133719.db2.gz PBRJFHBDFQZUJC-SSDOTTSWSA-N -1 0 303.306 -0.064 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NC[C@H](O)COCC1CC1 ZINC000442955990 266133873 /nfs/dbraw/zinc/13/38/73/266133873.db2.gz GSEWMSQVIYKRHD-QMMMGPOBSA-N -1 0 306.306 -0.240 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C1=O ZINC000443009684 266134074 /nfs/dbraw/zinc/13/40/74/266134074.db2.gz ZHHYPNYIKGMSEN-ZCFIWIBFSA-N -1 0 317.289 -0.491 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)[N-]CC(F)(F)F ZINC000442938075 266134088 /nfs/dbraw/zinc/13/40/88/266134088.db2.gz FSWJUGYQPTZCML-ZCFIWIBFSA-N -1 0 312.335 -0.252 20 0 DBADRM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)[N-]CC(F)(F)F ZINC000443043513 266135173 /nfs/dbraw/zinc/13/51/73/266135173.db2.gz ZZNBPQZUZXTRAN-NKWVEPMBSA-N -1 0 303.306 -0.113 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)[N-]CC(F)(F)F ZINC000443043515 266135739 /nfs/dbraw/zinc/13/57/39/266135739.db2.gz ZZNBPQZUZXTRAN-RQJHMYQMSA-N -1 0 303.306 -0.113 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NC[C@@H](CO)[C@H]1CCOC1 ZINC000443222613 266138508 /nfs/dbraw/zinc/13/85/08/266138508.db2.gz LIIDKAOCAPGQTK-YUMQZZPRSA-N -1 0 306.306 -0.382 20 0 DBADRM CNC(=O)[C@]1(C)CCN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000443209775 266139260 /nfs/dbraw/zinc/13/92/60/266139260.db2.gz UEOUDBLFSRWYQB-MRVPVSSYSA-N -1 0 303.306 -0.159 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)OC)C1 ZINC000491796811 266148535 /nfs/dbraw/zinc/14/85/35/266148535.db2.gz HWZDQPTXIJHMQP-SECBINFHSA-N -1 0 307.372 -0.223 20 0 DBADRM Cn1cc(/C=C\C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000492136290 266153573 /nfs/dbraw/zinc/15/35/73/266153573.db2.gz HNPFLDVOHYHRCI-FOSCPCJNSA-N -1 0 321.333 -0.580 20 0 DBADRM Cn1cc(/C=C\C(=O)NC(C)(C)CCC(=O)[O-])c(=O)n(C)c1=O ZINC000492156407 266154873 /nfs/dbraw/zinc/15/48/73/266154873.db2.gz PJBHDNTZUBBGLH-WAYWQWQTSA-N -1 0 323.349 -0.143 20 0 DBADRM Cn1cc(/C=C\C(=O)N2CCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000492232239 266156252 /nfs/dbraw/zinc/15/62/52/266156252.db2.gz PDHXICNUOZZKSN-OMMCCPJFSA-N -1 0 307.306 -0.827 20 0 DBADRM O=C(/C=C\c1cncc(F)c1)[N-]S(=O)(=O)N1CCOCC1 ZINC000492247925 266157452 /nfs/dbraw/zinc/15/74/52/266157452.db2.gz LMOWQMBUWBBOMR-UPHRSURJSA-N -1 0 315.326 -0.073 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C/c1cnccn1)[C@@H](C)C(=O)[O-] ZINC000492405789 266160151 /nfs/dbraw/zinc/16/01/51/266160151.db2.gz DPNVDZJOOJFFGD-FSIBCCDJSA-N -1 0 306.322 -0.072 20 0 DBADRM C[C@](O)(CNC(=O)CCNC(=O)/C=C/c1ccco1)C(=O)[O-] ZINC000492625179 266162661 /nfs/dbraw/zinc/16/26/61/266162661.db2.gz VKGZSMPZEVMZKT-NNTXTVRGSA-N -1 0 310.306 -0.249 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)/C=C\c1cnc(OC)nc1 ZINC000492732813 266163898 /nfs/dbraw/zinc/16/38/98/266163898.db2.gz GUSXFSJRBIOXOY-ARJAWSKDSA-N -1 0 301.324 -0.409 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)/C=C\c1cnc(OC)nc1 ZINC000492714180 266164433 /nfs/dbraw/zinc/16/44/33/266164433.db2.gz XKQBABGUGYRUBF-PLNGDYQASA-N -1 0 315.351 -0.019 20 0 DBADRM O=C(/C=C\c1cccnc1)NCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000493119507 266169853 /nfs/dbraw/zinc/16/98/53/266169853.db2.gz OSYARQBQHJYLCD-VSQXVHSFSA-N -1 0 319.317 -0.477 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)/C=C\c2cncc(O)c2)C1 ZINC000493151850 266170222 /nfs/dbraw/zinc/17/02/22/266170222.db2.gz MTUVLIAGTQUKLL-QUCGXOGASA-N -1 0 311.363 -0.050 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)/C=C\c1cncc(F)c1 ZINC000493088154 266170651 /nfs/dbraw/zinc/17/06/51/266170651.db2.gz HDMKHVZCQDDQNQ-IHWYPQMZSA-N -1 0 311.298 -0.133 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCNC(=O)OC)cn1 ZINC000493073567 266170687 /nfs/dbraw/zinc/17/06/87/266170687.db2.gz MHDNDCBWARVKLS-UHFFFAOYSA-N -1 0 304.328 -0.546 20 0 DBADRM Cn1cc(/C=C\C(=O)NC2(CC(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000493263403 266173355 /nfs/dbraw/zinc/17/33/55/266173355.db2.gz UGFWDVVAPRFQKR-ARJAWSKDSA-N -1 0 307.306 -0.779 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)/C=C\c2ccnn2C)cnn1C ZINC000493359311 266175010 /nfs/dbraw/zinc/17/50/10/266175010.db2.gz VBHLVFOYPYTTFK-PLNGDYQASA-N -1 0 309.351 -0.020 20 0 DBADRM C/C=C\C[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000493436571 266176145 /nfs/dbraw/zinc/17/61/45/266176145.db2.gz UGGPCGXCGYVISL-NSGKDTAPSA-N -1 0 321.333 -0.367 20 0 DBADRM O=C(C=Cc1cccnc1)NCC(=O)NC1(c2nnn[n-]2)CC1 ZINC000493523704 266177084 /nfs/dbraw/zinc/17/70/84/266177084.db2.gz PARLFQKOLMUOHC-ONEGZZNKSA-N -1 0 313.321 -0.470 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)NC[C@@H](OC)C(=O)[O-])c1 ZINC000493754350 266180355 /nfs/dbraw/zinc/18/03/55/266180355.db2.gz YHOXBJRTHNKDLO-DLRQAJBASA-N -1 0 307.306 -0.330 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000493876293 266183976 /nfs/dbraw/zinc/18/39/76/266183976.db2.gz UXXUDLGAFPIFLS-MRVPVSSYSA-N -1 0 315.351 -0.426 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000494009952 266185318 /nfs/dbraw/zinc/18/53/18/266185318.db2.gz SHQVROWITFYLDL-MRVPVSSYSA-N -1 0 309.344 -0.932 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000494078578 266186977 /nfs/dbraw/zinc/18/69/77/266186977.db2.gz NPFUBRHNVYCKGD-DTWKUNHWSA-N -1 0 308.356 -0.254 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])CC1 ZINC000494112164 266188407 /nfs/dbraw/zinc/18/84/07/266188407.db2.gz CKTDOMWLVPHXJE-SECBINFHSA-N -1 0 323.371 -0.590 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC)cn1 ZINC000494166937 266189940 /nfs/dbraw/zinc/18/99/40/266189940.db2.gz HXMSQIQNKQDGLP-ZETCQYMHSA-N -1 0 304.328 -0.548 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000494446703 266192821 /nfs/dbraw/zinc/19/28/21/266192821.db2.gz WHKHERYWCPMURC-VXJOIVPMSA-N -1 0 318.333 -0.265 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000494995301 266200130 /nfs/dbraw/zinc/20/01/30/266200130.db2.gz YHKFDYZEWILBCB-UHFFFAOYSA-N -1 0 318.355 -0.300 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)CCCNC(=O)OC ZINC000495330408 266204516 /nfs/dbraw/zinc/20/45/16/266204516.db2.gz HHJPULVKFQBRBQ-UHFFFAOYSA-N -1 0 310.372 -0.005 20 0 DBADRM COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000495443622 266205799 /nfs/dbraw/zinc/20/57/99/266205799.db2.gz SKHPYHNKRQGHDU-UHFFFAOYSA-N -1 0 318.355 -0.297 20 0 DBADRM O=C([O-])CNS(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000495487682 266207713 /nfs/dbraw/zinc/20/77/13/266207713.db2.gz PRDDNOJINYRYMX-UHFFFAOYSA-N -1 0 316.335 -0.083 20 0 DBADRM CN(CCC(=O)[N-]S(=O)(=O)CC(N)=O)C(=O)OC(C)(C)C ZINC000495619883 266212086 /nfs/dbraw/zinc/21/20/86/266212086.db2.gz QHTRTLCHTBDWMJ-UHFFFAOYSA-N -1 0 323.371 -0.825 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCNC(=O)OC(C)(C)C ZINC000495797795 266218753 /nfs/dbraw/zinc/21/87/53/266218753.db2.gz HVSBCGVTTHSCMB-UHFFFAOYSA-N -1 0 305.331 -0.679 20 0 DBADRM CCOC(=O)N[C@H](Cc1ccccc1)C(=O)[N-]OCC(N)=O ZINC000495801442 266218970 /nfs/dbraw/zinc/21/89/70/266218970.db2.gz PKLNBNARQKLCNW-LLVKDONJSA-N -1 0 309.322 -0.123 20 0 DBADRM CCOC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)C(C)C ZINC000495991057 266223849 /nfs/dbraw/zinc/22/38/49/266223849.db2.gz JGCUQGHGWQDCSU-VHSXEESVSA-N -1 0 322.383 -0.008 20 0 DBADRM CC(C)(C)OC(=O)NCC1(C(=O)NN2CC(=O)NC2=O)CC1 ZINC000496360575 266234645 /nfs/dbraw/zinc/23/46/45/266234645.db2.gz LRPFFVSJLGCITO-UHFFFAOYSA-N -1 0 312.326 -0.126 20 0 DBADRM CCOC(=O)N[C@@H](C(=O)NCCc1nc(=O)o[n-]1)C(C)C ZINC000496509128 266237317 /nfs/dbraw/zinc/23/73/17/266237317.db2.gz WLMVCQPQTSVXEQ-SECBINFHSA-N -1 0 300.315 -0.208 20 0 DBADRM COC(=O)N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000496507833 266237805 /nfs/dbraw/zinc/23/78/05/266237805.db2.gz ZIHUOCJTUBRTBZ-UHFFFAOYSA-N -1 0 305.278 -0.233 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000496742113 266245432 /nfs/dbraw/zinc/24/54/32/266245432.db2.gz RVRFACYLHHWEMK-UHFFFAOYSA-N -1 0 304.328 -0.720 20 0 DBADRM O=C1OCC[C@@H]2CN(S(=O)(=O)[N-]CC(F)(F)F)CCN12 ZINC000496799135 266246768 /nfs/dbraw/zinc/24/67/68/266246768.db2.gz OICMPDYQJOMWKF-SSDOTTSWSA-N -1 0 317.289 -0.090 20 0 DBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)C(C)C ZINC000496995443 266252618 /nfs/dbraw/zinc/25/26/18/266252618.db2.gz DXFVPXMINIBMNC-VIFPVBQESA-N -1 0 323.371 -0.940 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)c1 ZINC000514855997 266266159 /nfs/dbraw/zinc/26/61/59/266266159.db2.gz KWVANYXAWBQKNJ-LBPRGKRZSA-N -1 0 315.351 -0.116 20 0 DBADRM O=C(Cn1nnnc1-c1ccsc1)N[C@]1(C(=O)[O-])CCOC1 ZINC000514863880 266266199 /nfs/dbraw/zinc/26/61/99/266266199.db2.gz XJOCWOCGEXNGEF-GFCCVEGCSA-N -1 0 323.334 -0.239 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCCOC1 ZINC000514989203 266267747 /nfs/dbraw/zinc/26/77/47/266267747.db2.gz QSXAJETZGLBRMG-BREBYQMCSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@H]1OCC[C@@H]1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000514942025 266267896 /nfs/dbraw/zinc/26/78/96/266267896.db2.gz OVBOZLPCMCREEM-QNSHHTMESA-N -1 0 303.340 -0.498 20 0 DBADRM O=C([O-])[C@H](O)[C@H]1CCCN(S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000515267142 266270104 /nfs/dbraw/zinc/27/01/04/266270104.db2.gz JXXJJWMYJLQYNL-HBNTYKKESA-N -1 0 307.368 -0.347 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)C1 ZINC000515302375 266270394 /nfs/dbraw/zinc/27/03/94/266270394.db2.gz RUFLMLCWZOUFCS-ZAZJYDDPSA-N -1 0 313.350 -0.012 20 0 DBADRM O=C([O-])[C@H](O)[C@@H]1CCCN(S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000515267141 266270504 /nfs/dbraw/zinc/27/05/04/266270504.db2.gz JXXJJWMYJLQYNL-GMTAPVOTSA-N -1 0 307.368 -0.347 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1=O ZINC000516044657 266276808 /nfs/dbraw/zinc/27/68/08/266276808.db2.gz MXZCYDQRZNYXOK-UHFFFAOYSA-N -1 0 319.317 -0.447 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)CC1 ZINC000516179511 266277850 /nfs/dbraw/zinc/27/78/50/266277850.db2.gz WNTZWNMBDRFSOF-NXEZZACHSA-N -1 0 307.368 -0.035 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000516973286 266287995 /nfs/dbraw/zinc/28/79/95/266287995.db2.gz CSAIFQJFNQKWLE-UHFFFAOYSA-N -1 0 304.324 -0.452 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCc2cnn(C)c2)C[C@H]1C(=O)[O-] ZINC000517030203 266289690 /nfs/dbraw/zinc/28/96/90/266289690.db2.gz JRRRGLBUAOIDCJ-CMPLNLGQSA-N -1 0 322.365 -0.352 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NCCCO[C@H]1CCOC1 ZINC000517134655 266290409 /nfs/dbraw/zinc/29/04/09/266290409.db2.gz QZNFSBBPDDAJPX-WDEREUQCSA-N -1 0 322.383 -0.435 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCCO[C@@H]1CCOC1 ZINC000517134652 266290555 /nfs/dbraw/zinc/29/05/55/266290555.db2.gz QZNFSBBPDDAJPX-MNOVXSKESA-N -1 0 322.383 -0.435 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000517556614 266295129 /nfs/dbraw/zinc/29/51/29/266295129.db2.gz PTTGXGMJWVGOJH-LJGSYFOKSA-N -1 0 317.323 -0.272 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC000517742680 266296683 /nfs/dbraw/zinc/29/66/83/266296683.db2.gz HRKZFZVRJCFPRP-KHQFGBGNSA-N -1 0 303.340 -0.329 20 0 DBADRM CC(C)(NC(=O)c1ccc(S(N)(=O)=O)s1)c1nnn[n-]1 ZINC000518275991 266300420 /nfs/dbraw/zinc/30/04/20/266300420.db2.gz JJYHHKJRQABRJM-UHFFFAOYSA-N -1 0 316.368 -0.426 20 0 DBADRM CO[C@H]1C[C@@H](CC(=O)[O-])N(c2ncc(S(N)(=O)=O)s2)C1 ZINC000519548345 266309600 /nfs/dbraw/zinc/30/96/00/266309600.db2.gz VVKDSBOXMZYQDO-BQBZGAKWSA-N -1 0 321.380 -0.141 20 0 DBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(c2ncc(S(N)(=O)=O)s2)C1 ZINC000519548387 266309926 /nfs/dbraw/zinc/30/99/26/266309926.db2.gz VVKDSBOXMZYQDO-NKWVEPMBSA-N -1 0 321.380 -0.141 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C[C@H]1CO ZINC000519615013 266310980 /nfs/dbraw/zinc/31/09/80/266310980.db2.gz ZLAVNFKQBZBCMF-WYUUTHIRSA-N -1 0 312.366 -0.358 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000519600671 266311108 /nfs/dbraw/zinc/31/11/08/266311108.db2.gz GIVGJUMIWAWYFR-MWLCHTKSSA-N -1 0 319.383 -0.003 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC000519574411 266311714 /nfs/dbraw/zinc/31/17/14/266311714.db2.gz CRLXIPLSLGLBCI-SECBINFHSA-N -1 0 310.372 -0.579 20 0 DBADRM O=C([O-])C1(O)CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 ZINC000519815764 266314237 /nfs/dbraw/zinc/31/42/37/266314237.db2.gz AAFUPAUUZOWFCZ-JTQLQIEISA-N -1 0 307.368 -0.203 20 0 DBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000519764500 266314726 /nfs/dbraw/zinc/31/47/26/266314726.db2.gz AVXDOZPOPXOAGP-VHSXEESVSA-N -1 0 317.367 -0.019 20 0 DBADRM C[C@H](C1CC1)N(C)S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000520960406 266324492 /nfs/dbraw/zinc/32/44/92/266324492.db2.gz RWVKJGSTEKLVHL-MRVPVSSYSA-N -1 0 307.372 -0.858 20 0 DBADRM COc1cc(CC(=O)NC[C@@](C)(O)C(=O)[O-])cc(OC)c1O ZINC000521044047 266324680 /nfs/dbraw/zinc/32/46/80/266324680.db2.gz PAHKFUIFJKDGSB-CQSZACIVSA-N -1 0 313.306 -0.096 20 0 DBADRM NC(=O)[C@H](CNC(=O)c1n[nH]c(=O)[n-]1)Cc1ccc(F)cc1 ZINC000521628218 266329917 /nfs/dbraw/zinc/32/99/17/266329917.db2.gz LPYJBXIAEKVKFL-QMMMGPOBSA-N -1 0 307.285 -0.277 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000521624415 266329996 /nfs/dbraw/zinc/32/99/96/266329996.db2.gz AKIRQWGEGBZDTG-NWDGAFQWSA-N -1 0 311.382 -0.280 20 0 DBADRM Cn1nccc1[C@@H](CO)NS(=O)(=O)[N-]CC(F)(F)F ZINC000522013058 266331192 /nfs/dbraw/zinc/33/11/92/266331192.db2.gz BNDPTZYMIPKBCT-ZCFIWIBFSA-N -1 0 302.278 -0.560 20 0 DBADRM C[C@H](CN1CCN(c2ccccn2)CC1)N=c1nn[n-]n1C ZINC000522759780 266336152 /nfs/dbraw/zinc/33/61/52/266336152.db2.gz VZGVRUQYOWMJNL-GFCCVEGCSA-N -1 0 302.386 -0.350 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)C2=O)cn1 ZINC000525951216 266349143 /nfs/dbraw/zinc/34/91/43/266349143.db2.gz KQQCYEYTADRNQW-AXFHLTTASA-N -1 0 322.321 -0.726 20 0 DBADRM Cc1ncsc1[C@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000527051940 266352925 /nfs/dbraw/zinc/35/29/25/266352925.db2.gz QWMSWBVAJRZAOJ-QMMMGPOBSA-N -1 0 321.380 -0.256 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1cccc2n[nH]nc21 ZINC000527105156 266353655 /nfs/dbraw/zinc/35/36/55/266353655.db2.gz RYSTXYZZTWVXFW-UHFFFAOYSA-N -1 0 305.294 -0.552 20 0 DBADRM COCCS(=O)(=O)[N-]c1cccc(F)c1S(N)(=O)=O ZINC000527488424 266357821 /nfs/dbraw/zinc/35/78/21/266357821.db2.gz YXXHLXKFKVOHGV-UHFFFAOYSA-N -1 0 312.344 -0.139 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2noc3c2COCC3)c1 ZINC000527600853 266363686 /nfs/dbraw/zinc/36/36/86/266363686.db2.gz FDVYCDNITYFYSG-UHFFFAOYSA-N -1 0 312.307 -0.401 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000529112398 266383880 /nfs/dbraw/zinc/38/38/80/266383880.db2.gz BAYHJSGKYVXTGA-WDEREUQCSA-N -1 0 320.411 -0.279 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)CC1=O ZINC000529102766 266384045 /nfs/dbraw/zinc/38/40/45/266384045.db2.gz DKYQZRHOPCGGBS-VHSXEESVSA-N -1 0 318.395 -0.132 20 0 DBADRM CC1(c2nc(=NC(=O)c3cn(CC(N)=O)nn3)s[n-]2)CC1 ZINC000529700189 266393340 /nfs/dbraw/zinc/39/33/40/266393340.db2.gz VBOLEGLQASRMOW-UHFFFAOYSA-N -1 0 307.339 -0.659 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000529702946 266393818 /nfs/dbraw/zinc/39/38/18/266393818.db2.gz DHYZEKWAMKXWQK-ZCFIWIBFSA-N -1 0 304.397 -0.112 20 0 DBADRM CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000529699782 266394038 /nfs/dbraw/zinc/39/40/38/266394038.db2.gz VXLPTGFPQAKPPK-RKDXNWHRSA-N -1 0 310.379 -0.068 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000529724903 266395151 /nfs/dbraw/zinc/39/51/51/266395151.db2.gz AZAOPTCRMKLXCO-UHFFFAOYSA-N -1 0 300.340 -0.635 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)cc1=O ZINC000529752006 266398036 /nfs/dbraw/zinc/39/80/36/266398036.db2.gz LFYLCVFJQIDZAZ-HNNXBMFYSA-N -1 0 324.381 -0.529 20 0 DBADRM O=C(NC[C@H](O)[C@@H]1CCCO1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000529765054 266398233 /nfs/dbraw/zinc/39/82/33/266398233.db2.gz LAUGMMFPYOKGHK-UWVGGRQHSA-N -1 0 320.305 -0.294 20 0 DBADRM CN(C[C@H]1CCOC1)S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530151296 266405629 /nfs/dbraw/zinc/40/56/29/266405629.db2.gz YNRRCQXYOAEKCQ-MRVPVSSYSA-N -1 0 303.340 -0.225 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)NC[C@@H]1CCCCO1 ZINC000530149162 266405770 /nfs/dbraw/zinc/40/57/70/266405770.db2.gz LOLLOEULRNCEBZ-QMMMGPOBSA-N -1 0 303.340 -0.034 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C)cnc2N)C1 ZINC000530153380 266405873 /nfs/dbraw/zinc/40/58/73/266405873.db2.gz PMIVZXYCPDWSAC-GFCCVEGCSA-N -1 0 315.351 -0.164 20 0 DBADRM CO[C@H]1CC[C@@H](NS(=O)(=O)c2c(C(=O)[O-])cnn2C)C1 ZINC000530148502 266406067 /nfs/dbraw/zinc/40/60/67/266406067.db2.gz GYIJZUYRBAXNQQ-SFYZADRCSA-N -1 0 303.340 -0.036 20 0 DBADRM CC1(C)OC[C@@H]2C[C@@]21NS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000530149898 266406074 /nfs/dbraw/zinc/40/60/74/266406074.db2.gz DGSPBCFTDJRCGX-YGOYTEALSA-N -1 0 304.368 -0.063 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CC[C@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC000530150037 266406160 /nfs/dbraw/zinc/40/61/60/266406160.db2.gz LMOYPLYBHKBGRW-MXWKQRLJSA-N -1 0 307.368 -0.083 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000530473207 266411932 /nfs/dbraw/zinc/41/19/32/266411932.db2.gz IQVWHPNYPAQXGF-UWVGGRQHSA-N -1 0 322.383 -0.089 20 0 DBADRM COCCn1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])OC)cn1 ZINC000530542287 266412227 /nfs/dbraw/zinc/41/22/27/266412227.db2.gz SJARDAXZOYIQDN-VIFPVBQESA-N -1 0 321.355 -0.703 20 0 DBADRM C[C@H](CNC(=O)Cc1ccc(S(N)(=O)=O)s1)C(=O)[O-] ZINC000532003791 269567876 /nfs/dbraw/zinc/56/78/76/269567876.db2.gz PJKBUROJHRVPPE-ZCFIWIBFSA-N -1 0 306.365 -0.225 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000532003405 269567884 /nfs/dbraw/zinc/56/78/84/269567884.db2.gz XNTWJVCORJXEMT-WDEREUQCSA-N -1 0 319.379 -0.097 20 0 DBADRM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000366320975 277998260 /nfs/dbraw/zinc/99/82/60/277998260.db2.gz VRVQYGMJHBANGJ-WDEREUQCSA-N -1 0 322.383 -0.858 20 0 DBADRM CC(=O)NCCN(C(=O)CCCC(=O)N(C)C)[C@H](C)C(=O)[O-] ZINC000262277412 278104490 /nfs/dbraw/zinc/10/44/90/278104490.db2.gz WDSBHNZFDHQACO-SNVBAGLBSA-N -1 0 315.370 -0.317 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@H](C)C(=O)[O-] ZINC000262149330 278105929 /nfs/dbraw/zinc/10/59/29/278105929.db2.gz AOLMQMGPTAIOLU-MWLCHTKSSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCN(C(C)=O)C1)[C@@H](C)C(=O)[O-] ZINC000357767072 278105956 /nfs/dbraw/zinc/10/59/56/278105956.db2.gz WVERKNQNUSBGMY-JOYOIKCWSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)CCOC(C)C ZINC000262487122 278113227 /nfs/dbraw/zinc/11/32/27/278113227.db2.gz WUDTVGUFEIHLSV-SNVBAGLBSA-N -1 0 324.399 -0.348 20 0 DBADRM CC(C)(O)C(C)(C)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000420575603 278636142 /nfs/dbraw/zinc/63/61/42/278636142.db2.gz ANCSKGVKXBDADM-VIFPVBQESA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000378459575 278937348 /nfs/dbraw/zinc/93/73/48/278937348.db2.gz UHERUTMDHJGZTR-JTQLQIEISA-N -1 0 307.368 -0.241 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)c2cnc(C(=O)[O-])cn2)C1=O ZINC000263273849 279467858 /nfs/dbraw/zinc/46/78/58/279467858.db2.gz MSEMXRSVVALVGU-SSDOTTSWSA-N -1 0 306.278 -0.560 20 0 DBADRM CC(C)[C@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000262876688 280294306 /nfs/dbraw/zinc/29/43/06/280294306.db2.gz KLRURLMTNTUKSO-JTQLQIEISA-N -1 0 318.355 -0.854 20 0 DBADRM CC1(C)SC[C@@H]1NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000333627725 281426318 /nfs/dbraw/zinc/42/63/18/281426318.db2.gz VHDKSDYREFIFPB-YUMQZZPRSA-N -1 0 322.408 -0.226 20 0 DBADRM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000267602300 289003622 /nfs/dbraw/zinc/00/36/22/289003622.db2.gz NBFMHXSKUSGDGQ-ZJUUUORDSA-N -1 0 322.365 -0.137 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000414606406 289583096 /nfs/dbraw/zinc/58/30/96/289583096.db2.gz FBXRXQAEPJSVJX-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM CN1CCC[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1=O ZINC000424508525 289980831 /nfs/dbraw/zinc/98/08/31/289980831.db2.gz VVSAPYAIXOGXMP-VIFPVBQESA-N -1 0 313.354 -0.660 20 0 DBADRM COC[C@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)CC(C)(C)O1 ZINC000285046089 293222404 /nfs/dbraw/zinc/22/24/04/293222404.db2.gz NVYLICJRUYKYEA-MRVPVSSYSA-N -1 0 316.383 -0.158 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000221745462 293864138 /nfs/dbraw/zinc/86/41/38/293864138.db2.gz AMAWNEMXZLZCLI-YTWAJWBKSA-N -1 0 322.383 -0.486 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])C[C@H](C)O1 ZINC000129486939 297052247 /nfs/dbraw/zinc/05/22/47/297052247.db2.gz ITNMTVRSMABJMS-AXFHLTTASA-N -1 0 322.383 -0.484 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C[C@H](C)O1 ZINC000131792705 297056810 /nfs/dbraw/zinc/05/68/10/297056810.db2.gz ADOKMWRSGLGGDB-AOOOYVTPSA-N -1 0 322.383 -0.436 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])CC1 ZINC000263261275 295481508 /nfs/dbraw/zinc/48/15/08/295481508.db2.gz GNMBBFBAYOXICX-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCCCC(=O)[O-] ZINC000414607145 295515805 /nfs/dbraw/zinc/51/58/05/295515805.db2.gz GEMIMGOQPDUDLV-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)CC2(C(=O)[O-])CCC2)C1 ZINC000262555578 295536436 /nfs/dbraw/zinc/53/64/36/295536436.db2.gz UWLWGFLHNIRFJT-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000230118053 295553998 /nfs/dbraw/zinc/55/39/98/295553998.db2.gz KURNIKLKECGWRQ-YIZRAAEISA-N -1 0 323.392 -0.435 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000332745701 304599419 /nfs/dbraw/zinc/59/94/19/304599419.db2.gz FUUZVBCZMDHAHE-QWRGUYRKSA-N -1 0 315.333 -0.094 20 0 DBADRM C[C@H](NC(=O)CCNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000262691301 299045065 /nfs/dbraw/zinc/04/50/65/299045065.db2.gz GNIIOUXDBIQZOT-QMMMGPOBSA-N -1 0 301.324 -0.661 20 0 DBADRM C[C@H]1Oc2ccccc2N(CC(=O)NC[C@](C)(O)C(=O)[O-])C1=O ZINC000262511314 300647180 /nfs/dbraw/zinc/64/71/80/300647180.db2.gz MFBGBJUHJDUPJW-PSLIRLAXSA-N -1 0 322.317 -0.248 20 0 DBADRM C[C@](O)(CNC(=O)CN1C(=O)CCc2ccccc21)C(=O)[O-] ZINC000262503695 300737530 /nfs/dbraw/zinc/73/75/30/300737530.db2.gz KZJMWQPQUZJNGH-HNNXBMFYSA-N -1 0 306.318 -0.082 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)NC[C@](C)(O)CO)cc2=O)cc1 ZINC000338621027 301474364 /nfs/dbraw/zinc/47/43/64/301474364.db2.gz NOEVVHVFIZCJHV-HNNXBMFYSA-N -1 0 305.334 -0.053 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N1CCOC[C@]12CCOC2 ZINC000195482623 304759853 /nfs/dbraw/zinc/75/98/53/304759853.db2.gz UVASQOKOQGWHIH-MRVPVSSYSA-N -1 0 304.290 -0.126 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000020560227 302485073 /nfs/dbraw/zinc/48/50/73/302485073.db2.gz UJWRZOCBDWSWGF-SSDOTTSWSA-N -1 0 304.328 -0.976 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)nc1Cl ZINC000368517583 302920399 /nfs/dbraw/zinc/92/03/99/302920399.db2.gz ISMPIJIITYVOIR-SECBINFHSA-N -1 0 309.731 -0.405 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)Cc1ccc(F)cc1)C(=O)[O-] ZINC000036983444 303247814 /nfs/dbraw/zinc/24/78/14/303247814.db2.gz KIWLOJKGSJIODY-JTQLQIEISA-N -1 0 318.326 -0.036 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000271345125 303252393 /nfs/dbraw/zinc/25/23/93/303252393.db2.gz DDUHSBRTJYUTOF-ZDUSSCGKSA-N -1 0 311.313 -0.268 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000275091291 303347342 /nfs/dbraw/zinc/34/73/42/303347342.db2.gz KFRVDFNHNPMFMP-JTQLQIEISA-N -1 0 314.319 -0.740 20 0 DBADRM NC(=O)c1csc(CN2Cc3n[nH]c(=O)n3C[C@@H]2C(=O)[O-])c1 ZINC000263027684 303351828 /nfs/dbraw/zinc/35/18/28/303351828.db2.gz GJAYCEKTLSPRPX-MRVPVSSYSA-N -1 0 323.334 -0.799 20 0 DBADRM O=c1[n-]c(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)n[nH]1 ZINC000333016904 304787696 /nfs/dbraw/zinc/78/76/96/304787696.db2.gz HDUYBUQGYZSQGL-SECBINFHSA-N -1 0 301.372 -0.490 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC000570746724 332809931 /nfs/dbraw/zinc/80/99/31/332809931.db2.gz RHQZVLKYZKBGIS-ATZCPNFKSA-N -1 0 311.338 -0.909 20 0 DBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000570798854 332817360 /nfs/dbraw/zinc/81/73/60/332817360.db2.gz DVDGMDXCCOOJGG-GMTAPVOTSA-N -1 0 307.368 -0.083 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000583934830 331474879 /nfs/dbraw/zinc/47/48/79/331474879.db2.gz XTEDWRJCPWCIOH-MRVPVSSYSA-N -1 0 307.306 -0.036 20 0 DBADRM CN(C[C@@H]1CCOC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000399506561 331482681 /nfs/dbraw/zinc/48/26/81/331482681.db2.gz CNEXGLXADYDQTA-VIFPVBQESA-N -1 0 303.340 -0.375 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000580074706 332928518 /nfs/dbraw/zinc/92/85/18/332928518.db2.gz ZWUARTULECEFMR-NXEZZACHSA-N -1 0 304.368 -0.409 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000584113519 331832240 /nfs/dbraw/zinc/83/22/40/331832240.db2.gz VFZCOJFZFYFUPT-SKDRFNHKSA-N -1 0 322.317 -0.069 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1C[C@H](C)O[C@H](C)[C@H]1C(=O)[O-] ZINC000576823526 331835659 /nfs/dbraw/zinc/83/56/59/331835659.db2.gz MJNXYHXEFUHJJS-NGZCFLSTSA-N -1 0 323.367 -0.168 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCc2c[nH]nc2C1)[C@H](C)C(=O)[O-] ZINC000584191404 331856211 /nfs/dbraw/zinc/85/62/11/331856211.db2.gz FOTDTNZGVISESZ-MWLCHTKSSA-N -1 0 322.365 -0.048 20 0 DBADRM CC(C)(C)c1nc(=NC(=O)C(=O)NC(C)(CO)CO)s[n-]1 ZINC000569429773 332080785 /nfs/dbraw/zinc/08/07/85/332080785.db2.gz PIFOZEJUGIBMFZ-UHFFFAOYSA-N -1 0 316.383 -0.945 20 0 DBADRM O=C([O-])C(=O)N1CCN(Cc2nc(CC(F)(F)F)no2)CC1 ZINC000569461632 332093459 /nfs/dbraw/zinc/09/34/59/332093459.db2.gz ZCVYBIYPZQOSGS-UHFFFAOYSA-N -1 0 322.243 -0.097 20 0 DBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)n1 ZINC000569577563 332142971 /nfs/dbraw/zinc/14/29/71/332142971.db2.gz RDSGBQPKTKUQFT-SECBINFHSA-N -1 0 318.355 -0.382 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCCn2cccn2)C[C@H]1C(=O)[O-] ZINC000583440882 332411889 /nfs/dbraw/zinc/41/18/89/332411889.db2.gz BQIVHKOGFWGASX-VXGBXAGGSA-N -1 0 322.365 -0.041 20 0 DBADRM Cc1cc(F)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c(F)c1 ZINC000572953840 332653947 /nfs/dbraw/zinc/65/39/47/332653947.db2.gz YIGQQYLVVILAAS-QMMMGPOBSA-N -1 0 322.289 -0.120 20 0 DBADRM CN1CCN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CC1=O ZINC000569725627 332672307 /nfs/dbraw/zinc/67/23/07/332672307.db2.gz CSQIHTRAIYWAQH-UHFFFAOYSA-N -1 0 312.347 -0.224 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C[C@H]1CO ZINC000570200210 332724471 /nfs/dbraw/zinc/72/44/71/332724471.db2.gz SIVBDLDFGISHME-UTUOFQBUSA-N -1 0 312.366 -0.214 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000570284338 332735565 /nfs/dbraw/zinc/73/55/65/332735565.db2.gz GUUWFFJFKDNLMR-DCXZOGHSSA-N -1 0 313.397 -0.741 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F ZINC000572607420 332739188 /nfs/dbraw/zinc/73/91/88/332739188.db2.gz XWHFYLQHBOXBBA-BQBZGAKWSA-N -1 0 316.326 -0.262 20 0 DBADRM CNS(=O)(=O)c1ccc(CNC(=O)NCC(=O)[O-])s1 ZINC000580231496 333037576 /nfs/dbraw/zinc/03/75/76/333037576.db2.gz ARWDKPHUBWSDMY-UHFFFAOYSA-N -1 0 307.353 -0.460 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC000580305691 333084350 /nfs/dbraw/zinc/08/43/50/333084350.db2.gz QVXHCHUPYVJOPC-MGCOHNPYSA-N -1 0 320.367 -0.431 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000580322497 333160487 /nfs/dbraw/zinc/16/04/87/333160487.db2.gz RDPIYOOINMJJHW-ZETCQYMHSA-N -1 0 309.321 -0.557 20 0 DBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000582065678 333197200 /nfs/dbraw/zinc/19/72/00/333197200.db2.gz AXDFDWJCYADJKQ-DTWKUNHWSA-N -1 0 310.372 -0.786 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1)C1CC1 ZINC000582120418 333298877 /nfs/dbraw/zinc/29/88/77/333298877.db2.gz VMRACZGTIOYZLZ-PWSUYJOCSA-N -1 0 307.368 -0.035 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000571001779 333477133 /nfs/dbraw/zinc/47/71/33/333477133.db2.gz LWRAILUKIAUXNX-QMMMGPOBSA-N -1 0 303.344 -0.705 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NCc1nnc2n1CCCC2 ZINC000571431847 333788780 /nfs/dbraw/zinc/78/87/80/333788780.db2.gz PJKNRTYIHULEQL-UHFFFAOYSA-N -1 0 311.342 -0.143 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000571562631 333816132 /nfs/dbraw/zinc/81/61/32/333816132.db2.gz RSLBVYWPKVAVAB-CMPLNLGQSA-N -1 0 322.365 -0.123 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)CSCC(=O)[O-])C2=O)cn1 ZINC000580364973 336260398 /nfs/dbraw/zinc/26/03/98/336260398.db2.gz GTXVCMIHXVZCCP-VIFPVBQESA-N -1 0 312.351 -0.541 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1cccnc1C(F)(F)F ZINC000582370987 336947510 /nfs/dbraw/zinc/94/75/10/336947510.db2.gz HRYRCXJRCZAHFS-RXMQYKEDSA-N -1 0 314.241 -0.176 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C[C@@H]1C(=O)[O-] ZINC000582420715 336971792 /nfs/dbraw/zinc/97/17/92/336971792.db2.gz FYTHPFUHEZXTRA-SJHCENCUSA-N -1 0 324.377 -0.215 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000393223674 337091794 /nfs/dbraw/zinc/09/17/94/337091794.db2.gz GPKAXVHAVPZBNM-SCZZXKLOSA-N -1 0 309.340 -0.557 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])nn1 ZINC000582788954 337166354 /nfs/dbraw/zinc/16/63/54/337166354.db2.gz PZQDZSDSJOAAMG-LDYMZIIASA-N -1 0 310.310 -0.224 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCCN2C(=O)CCCC2=O)cn1 ZINC000582963839 337219527 /nfs/dbraw/zinc/21/95/27/337219527.db2.gz AFYPHYCMXRXSLN-UHFFFAOYSA-N -1 0 306.278 -0.556 20 0 DBADRM CC(C)(NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000583082436 337237275 /nfs/dbraw/zinc/23/72/75/337237275.db2.gz XCRQQOPZZHKYSX-UHFFFAOYSA-N -1 0 322.364 -0.525 20 0 DBADRM O=C([O-])C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000396650715 337241740 /nfs/dbraw/zinc/24/17/40/337241740.db2.gz NWOZJFYHKXLOMZ-UHFFFAOYSA-N -1 0 316.321 -0.609 20 0 DBADRM COc1cccc(NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000396632927 337241819 /nfs/dbraw/zinc/24/18/19/337241819.db2.gz FLUXAHLOCCTLDR-UHFFFAOYSA-N -1 0 321.333 -0.138 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000583138568 337248382 /nfs/dbraw/zinc/24/83/82/337248382.db2.gz AEMIKUGDFSXWFR-ZYHUDNBSSA-N -1 0 307.368 -0.224 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C1CC1 ZINC000397301188 337259854 /nfs/dbraw/zinc/25/98/54/337259854.db2.gz KLWFDRFDIUQTIC-SNVBAGLBSA-N -1 0 303.340 -0.329 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)CCC1 ZINC000583188456 337262322 /nfs/dbraw/zinc/26/23/22/337262322.db2.gz MFSAMYKRYQRTJI-SECBINFHSA-N -1 0 321.351 -0.555 20 0 DBADRM C[C@H](O)C[C@H](C)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000397640677 337277748 /nfs/dbraw/zinc/27/77/48/337277748.db2.gz CAAVEDLTBXBPQY-IUCAKERBSA-N -1 0 305.356 -0.347 20 0 DBADRM CC(CO)(CO)CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000583291683 337307760 /nfs/dbraw/zinc/30/77/60/337307760.db2.gz AIQCWPIBPODZNC-UHFFFAOYSA-N -1 0 316.379 -0.221 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)o1 ZINC000020593384 337333348 /nfs/dbraw/zinc/33/33/48/337333348.db2.gz VCDWGMUCSDLFQN-ZCFIWIBFSA-N -1 0 309.321 -0.557 20 0 DBADRM NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000035296017 337342481 /nfs/dbraw/zinc/34/24/81/337342481.db2.gz DZFQOUWXCVPJIT-LLVKDONJSA-N -1 0 312.347 -0.048 20 0 DBADRM CCN(CCCNC(=O)N[C@H](C(=O)[O-])C1CC1)S(C)(=O)=O ZINC000584462919 337344555 /nfs/dbraw/zinc/34/45/55/337344555.db2.gz FFABARXHYQUVLS-JTQLQIEISA-N -1 0 321.399 -0.180 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)CN3CC(=O)NC3=O)CC2(C)C)cn1 ZINC000584478906 337348145 /nfs/dbraw/zinc/34/81/45/337348145.db2.gz FUQSULBFVMXNNC-NSHDSACASA-N -1 0 319.365 -0.076 20 0 DBADRM CC1(C)CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CCO1 ZINC000036232134 337353754 /nfs/dbraw/zinc/35/37/54/337353754.db2.gz PCVIDJSMTGAGTM-UHFFFAOYSA-N -1 0 303.340 -0.233 20 0 DBADRM CCn1cnc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)c1 ZINC000584540671 337359580 /nfs/dbraw/zinc/35/95/80/337359580.db2.gz HQZRMVFVNZQBJM-MWLCHTKSSA-N -1 0 317.367 -0.251 20 0 DBADRM NS(=O)(=O)c1ccc(N2CCC(O)CC2)c(C(=O)[O-])c1 ZINC000036804803 337360193 /nfs/dbraw/zinc/36/01/93/337360193.db2.gz LUUMDPOOQJTLLT-UHFFFAOYSA-N -1 0 300.336 -0.007 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000036904764 337360875 /nfs/dbraw/zinc/36/08/75/337360875.db2.gz RHSMVRDWOKQSDD-SSDOTTSWSA-N -1 0 308.262 -0.428 20 0 DBADRM O=C([O-])[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000584564364 337363044 /nfs/dbraw/zinc/36/30/44/337363044.db2.gz MSVFVEHELFOBOY-ONGXEEELSA-N -1 0 300.336 -0.072 20 0 DBADRM C[C@H](O)[C@@H](NS(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-] ZINC000037417910 337363543 /nfs/dbraw/zinc/36/35/43/337363543.db2.gz AFUQDFJGHJYTLU-JOYOIKCWSA-N -1 0 314.363 -0.287 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C1 ZINC000037462958 337364007 /nfs/dbraw/zinc/36/40/07/337364007.db2.gz SFECHTCEIJOSSC-AEJSXWLSSA-N -1 0 321.399 -0.483 20 0 DBADRM COCCN(CCOC)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037464821 337364072 /nfs/dbraw/zinc/36/40/72/337364072.db2.gz MWXYMBUFFGHZRV-UHFFFAOYSA-N -1 0 306.340 -0.004 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1cccc2nsnc21 ZINC000037374785 337364886 /nfs/dbraw/zinc/36/48/86/337364886.db2.gz RVQOIOVOOHBTTD-LURJTMIESA-N -1 0 303.321 -0.585 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000571710352 337571100 /nfs/dbraw/zinc/57/11/00/337571100.db2.gz UMDKFVGUWUBXEA-VHSXEESVSA-N -1 0 319.383 -0.777 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000571710353 337571103 /nfs/dbraw/zinc/57/11/03/337571103.db2.gz UMDKFVGUWUBXEA-ZJUUUORDSA-N -1 0 319.383 -0.777 20 0 DBADRM COC[C@H](NC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000571979941 337585007 /nfs/dbraw/zinc/58/50/07/337585007.db2.gz SYFOUXDUDQHHMB-BBBLOLIVSA-N -1 0 322.383 -0.259 20 0 DBADRM COC[C@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)C(=O)[O-] ZINC000572224264 337598389 /nfs/dbraw/zinc/59/83/89/337598389.db2.gz ZIKVSAMYHXQMRE-MNOVXSKESA-N -1 0 323.353 -0.156 20 0 DBADRM COCCc1nc(=N[C@@H]2CCN(S(C)(=O)=O)C2)s[n-]1 ZINC000572248807 337598714 /nfs/dbraw/zinc/59/87/14/337598714.db2.gz RLLYQMYGZGPAHD-MRVPVSSYSA-N -1 0 306.413 -0.405 20 0 DBADRM CN(CCC#N)S(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-] ZINC000547572593 341222439 /nfs/dbraw/zinc/22/24/39/341222439.db2.gz WHMDJGMGZDKMCF-JTQLQIEISA-N -1 0 301.324 -0.045 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-] ZINC000565994709 341544922 /nfs/dbraw/zinc/54/49/22/341544922.db2.gz KGTIMPPFZXVUQX-VIFPVBQESA-N -1 0 323.367 -0.167 20 0 DBADRM CCN(CC)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000566047064 341546405 /nfs/dbraw/zinc/54/64/05/341546405.db2.gz WLSLZYVOBMLLQN-JQWIXIFHSA-N -1 0 306.384 -0.004 20 0 DBADRM N=c1nc(N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)nc2[nH][nH]cc1-2 ZINC000566104000 341547707 /nfs/dbraw/zinc/54/77/07/341547707.db2.gz WJOUPLBBKVAIQN-LURJTMIESA-N -1 0 315.297 -0.542 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)cn1 ZINC000566115645 341548056 /nfs/dbraw/zinc/54/80/56/341548056.db2.gz FFLJPUNHFAYWNO-LLVKDONJSA-N -1 0 303.340 -0.185 20 0 DBADRM O=C([O-])c1cn(CCNS(=O)(=O)CCOCC2CC2)nn1 ZINC000566119209 341548172 /nfs/dbraw/zinc/54/81/72/341548172.db2.gz TZLPEUJGILLFNI-UHFFFAOYSA-N -1 0 318.355 -0.678 20 0 DBADRM O=C([O-])c1noc2c1CN(S(=O)(=O)[C@H]1CCOC1)CC2 ZINC000566585887 341562542 /nfs/dbraw/zinc/56/25/42/341562542.db2.gz VOOJOXDMZJLQGL-ZETCQYMHSA-N -1 0 302.308 -0.150 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)ccc1C(=O)[O-] ZINC000566732086 341566541 /nfs/dbraw/zinc/56/65/41/341566541.db2.gz ZZCOLTNBRLCMTB-SECBINFHSA-N -1 0 319.317 -0.021 20 0 DBADRM O=C(c1ccc2nnnn2c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000567051072 341576950 /nfs/dbraw/zinc/57/69/50/341576950.db2.gz DGKHEJKZLNYISB-MRVPVSSYSA-N -1 0 314.309 -0.032 20 0 DBADRM Cc1c(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)cnn1C ZINC000567691534 341627886 /nfs/dbraw/zinc/62/78/86/341627886.db2.gz ZBMSWEMEGNBSPB-NSHDSACASA-N -1 0 303.340 -0.359 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000567692598 341627938 /nfs/dbraw/zinc/62/79/38/341627938.db2.gz XZFLOCLMCHZEPA-WCBMZHEXSA-N -1 0 305.356 -0.110 20 0 DBADRM C[C@](NS(=O)(=O)CCCS(C)(=O)=O)(C(=O)[O-])C1CC1 ZINC000567800612 341634092 /nfs/dbraw/zinc/63/40/92/341634092.db2.gz YMEYCLGFEQYICT-SNVBAGLBSA-N -1 0 313.397 -0.406 20 0 DBADRM CC[C@@H](C)NC(=O)CCNC(=O)C(=O)NCCCC(=O)[O-] ZINC000567888162 341638836 /nfs/dbraw/zinc/63/88/36/341638836.db2.gz ZUKBYOIAXMZCHQ-SECBINFHSA-N -1 0 301.343 -0.612 20 0 DBADRM CC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)N1CCOCC1 ZINC000567988399 341644014 /nfs/dbraw/zinc/64/40/14/341644014.db2.gz CMFOKBVTXLCELJ-GARJFASQSA-N -1 0 314.338 -0.628 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC(C)(C)[C@@H]1C(=O)[O-] ZINC000568000915 341644888 /nfs/dbraw/zinc/64/48/88/341644888.db2.gz FMBKNISFOZJPJO-BDAKNGLRSA-N -1 0 306.384 -0.022 20 0 DBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C(=O)[O-] ZINC000568083358 341650449 /nfs/dbraw/zinc/65/04/49/341650449.db2.gz FOHUVIRCIQYUNR-UHFFFAOYSA-N -1 0 316.401 -0.950 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(C)c(C(N)=O)c1)C(=O)[O-] ZINC000158596637 341659969 /nfs/dbraw/zinc/65/99/69/341659969.db2.gz QLGMGVAQTIIICP-JTQLQIEISA-N -1 0 316.335 -0.528 20 0 DBADRM O=C([O-])[C@@H](CF)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000568624126 341676669 /nfs/dbraw/zinc/67/66/69/341676669.db2.gz CQOFEYMHOZSRGO-IONNQARKSA-N -1 0 307.303 -0.455 20 0 DBADRM C[C@H](C(=O)NCc1ccccc1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000569007855 341688131 /nfs/dbraw/zinc/68/81/31/341688131.db2.gz JUDSRBPHUYZDIM-GFCCVEGCSA-N -1 0 319.361 -0.080 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-] ZINC000569203503 341693934 /nfs/dbraw/zinc/69/39/34/341693934.db2.gz PWUWTCVDOCUCQT-BDAKNGLRSA-N -1 0 323.367 -0.311 20 0 DBADRM CCOC(=O)CCS(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000165946924 341715211 /nfs/dbraw/zinc/71/52/11/341715211.db2.gz BXZDCZKQCKOLTQ-UHFFFAOYSA-N -1 0 323.367 -0.260 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000573266457 341723049 /nfs/dbraw/zinc/72/30/49/341723049.db2.gz AFBIICGICRTWMU-GHMZBOCLSA-N -1 0 308.400 -0.024 20 0 DBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1cccc2c1OCO2 ZINC000573936067 341743750 /nfs/dbraw/zinc/74/37/50/341743750.db2.gz AHFBOWSSHTZAQC-SSDOTTSWSA-N -1 0 303.292 -0.471 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cnn2c1OCCC2)C(=O)[O-] ZINC000574874269 341771384 /nfs/dbraw/zinc/77/13/84/341771384.db2.gz MTXQYZNETIXHTL-SSDOTTSWSA-N -1 0 305.312 -0.957 20 0 DBADRM COCCOCCCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000575043758 341773362 /nfs/dbraw/zinc/77/33/62/341773362.db2.gz PEEBLVRTPNGUDA-JTQLQIEISA-N -1 0 310.372 -0.577 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)o1 ZINC000575063446 341774680 /nfs/dbraw/zinc/77/46/80/341774680.db2.gz VUIWFGMBWFDMBQ-DTWKUNHWSA-N -1 0 316.335 -0.073 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000575923312 341814796 /nfs/dbraw/zinc/81/47/96/341814796.db2.gz CYDWVHMICLXXPT-MXWKQRLJSA-N -1 0 300.355 -0.046 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC(C(C)(C)O)C2)C[C@H]1C(=O)[O-] ZINC000576346301 341841591 /nfs/dbraw/zinc/84/15/91/341841591.db2.gz IOJJBRWQNWFWNQ-MWLCHTKSSA-N -1 0 312.366 -0.215 20 0 DBADRM O=C(Cn1cnc2sccc2c1=O)NCCc1nc(=O)o[n-]1 ZINC000576427794 341845755 /nfs/dbraw/zinc/84/57/55/341845755.db2.gz ZLKWBDHBPGPJTN-UHFFFAOYSA-N -1 0 321.318 -0.507 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCCC(=O)NCC(=O)[O-])C1 ZINC000576459786 341847448 /nfs/dbraw/zinc/84/74/48/341847448.db2.gz XQKFOQYAXROPGR-AOOOYVTPSA-N -1 0 321.399 -0.610 20 0 DBADRM C[C@@H]1C[C@H](S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])CCO1 ZINC000576469398 341848062 /nfs/dbraw/zinc/84/80/62/341848062.db2.gz PEGVNELFVDRKIY-FOGDFJRCSA-N -1 0 309.384 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCO3)CCO1 ZINC000576833026 341865540 /nfs/dbraw/zinc/86/55/40/341865540.db2.gz WTCKUWUCJSCNDX-NSHDSACASA-N -1 0 315.303 -0.111 20 0 DBADRM CC(C)(CCS(=O)(=O)NC1(C(=O)[O-])CC1)S(C)(=O)=O ZINC000577175111 341894413 /nfs/dbraw/zinc/89/44/13/341894413.db2.gz FMBDVQUINIMYLW-UHFFFAOYSA-N -1 0 313.397 -0.264 20 0 DBADRM O=C([O-])C1(O)CCN(S(=O)(=O)CCOCC2CC2)CC1 ZINC000577215923 341897955 /nfs/dbraw/zinc/89/79/55/341897955.db2.gz AYGWQDPIHIHAIA-UHFFFAOYSA-N -1 0 307.368 -0.346 20 0 DBADRM COc1ccc(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])cn1 ZINC000577285326 341902559 /nfs/dbraw/zinc/90/25/59/341902559.db2.gz LDAYGBNVGXBKRQ-SECBINFHSA-N -1 0 318.351 -0.064 20 0 DBADRM O=C([O-])[C@H](O)[C@@H]1CCCN(S(=O)(=O)CCOCC2CC2)C1 ZINC000577531368 341916149 /nfs/dbraw/zinc/91/61/49/341916149.db2.gz WBLNPNXTISVSBC-VXGBXAGGSA-N -1 0 321.395 -0.100 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000577570462 341918672 /nfs/dbraw/zinc/91/86/72/341918672.db2.gz JOVQVOUHAHVVTQ-MRVPVSSYSA-N -1 0 321.380 -0.278 20 0 DBADRM CNS(=O)(=O)c1ccc(CNC(=O)N[C@H](C)C(=O)[O-])s1 ZINC000577645750 341926911 /nfs/dbraw/zinc/92/69/11/341926911.db2.gz YIMTUWSGWOFMBW-ZCFIWIBFSA-N -1 0 321.380 -0.072 20 0 DBADRM O=C([O-])C1CN(S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C1 ZINC000577719760 341931299 /nfs/dbraw/zinc/93/12/99/341931299.db2.gz LQFFYDSDFHTWJY-UHFFFAOYSA-N -1 0 316.266 -0.035 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])CC1 ZINC000577735977 341932963 /nfs/dbraw/zinc/93/29/63/341932963.db2.gz YHEMLXKUIHJUOS-JTQLQIEISA-N -1 0 317.367 -0.486 20 0 DBADRM Cn1cccc1S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000577963585 341959924 /nfs/dbraw/zinc/95/99/24/341959924.db2.gz GEPZPBLDAOOPLT-MWLCHTKSSA-N -1 0 302.352 -0.129 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)Cn1cccn1 ZINC000420540158 533874238 /nfs/dbraw/zinc/87/42/38/533874238.db2.gz VEVMRJUAYCKSGW-QJPTWQEYSA-N -1 0 322.365 -0.186 20 0 DBADRM Cc1cc(=NC(=O)N=c2ccn(CCC(N)=O)[nH]2)[n-]nc1C ZINC000446153299 534025955 /nfs/dbraw/zinc/02/59/55/534025955.db2.gz ZOMDEKUGDYOQMN-UHFFFAOYSA-N -1 0 303.326 -0.347 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)NCCOCC(N)=O)cc2=O)cc1 ZINC000443797028 534237773 /nfs/dbraw/zinc/23/77/73/534237773.db2.gz CFDLYCHGKLMZFR-UHFFFAOYSA-N -1 0 318.333 -0.294 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262842573 518620659 /nfs/dbraw/zinc/62/06/59/518620659.db2.gz UYYPNGONLPAPRE-UHFFFAOYSA-N -1 0 311.342 -0.469 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000262788105 519637225 /nfs/dbraw/zinc/63/72/25/519637225.db2.gz KBERHLUSMKRSPW-UHFFFAOYSA-N -1 0 318.355 -0.980 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000346023103 519652826 /nfs/dbraw/zinc/65/28/26/519652826.db2.gz YMZIZARABIZWRC-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM CC(=O)NCCN(C(=O)Cn1ccccc1=O)[C@@H](C)C(=O)[O-] ZINC000262287427 519661819 /nfs/dbraw/zinc/66/18/19/519661819.db2.gz XWHGWCYELJEFSZ-JTQLQIEISA-N -1 0 309.322 -0.714 20 0 DBADRM CC(=O)NCCN(C(=O)COC1CCOCC1)[C@H](C)C(=O)[O-] ZINC000262170977 519661907 /nfs/dbraw/zinc/66/19/07/519661907.db2.gz DFJSWTKXWUHABM-SNVBAGLBSA-N -1 0 316.354 -0.380 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1cnn(C)c1)[C@H](C)C(=O)[O-] ZINC000262254898 519661934 /nfs/dbraw/zinc/66/19/34/519661934.db2.gz RCANDGOOSLZTNF-SNVBAGLBSA-N -1 0 310.354 -0.210 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000033455879 519663874 /nfs/dbraw/zinc/66/38/74/519663874.db2.gz FAKCTSZMPPIORI-LLVKDONJSA-N -1 0 315.370 -0.366 20 0 DBADRM CC(=O)NCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000266776120 519667063 /nfs/dbraw/zinc/66/70/63/519667063.db2.gz LNPLCBMJPUTLPB-UHFFFAOYSA-N -1 0 305.294 -0.390 20 0 DBADRM CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000090262769 519731331 /nfs/dbraw/zinc/73/13/31/519731331.db2.gz RNIMJDHLSDNGQM-JTQLQIEISA-N -1 0 302.308 -0.631 20 0 DBADRM CCO[C@H]1C[C@@H](NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000332432430 520545793 /nfs/dbraw/zinc/54/57/93/520545793.db2.gz HSKDAROCQAUESR-AEJSXWLSSA-N -1 0 320.367 -0.553 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cnn(-c2cccnc2)c1 ZINC000447633457 534503037 /nfs/dbraw/zinc/50/30/37/534503037.db2.gz ALDFLKSSJHLMHN-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM CCOC(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000045702082 520689079 /nfs/dbraw/zinc/68/90/79/520689079.db2.gz KLKPEGBOIIAMEC-UHFFFAOYSA-N -1 0 304.324 -0.045 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000262986650 520768824 /nfs/dbraw/zinc/76/88/24/520768824.db2.gz NVVKZMCBAOUQBP-UHFFFAOYSA-N -1 0 318.355 -0.422 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)NCCOCC(F)F)C1 ZINC000420578786 534517127 /nfs/dbraw/zinc/51/71/27/534517127.db2.gz HZOPFNHHHGGHDW-MRVPVSSYSA-N -1 0 308.281 -0.293 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)NCCOC(F)(F)F)C1 ZINC000420549981 534535586 /nfs/dbraw/zinc/53/55/86/534535586.db2.gz DVEUZAGOFQMFAA-ZETCQYMHSA-N -1 0 312.244 -0.038 20 0 DBADRM CCOC(=O)c1ccc(C(=O)NCCc2nc(=O)o[n-]2)nc1 ZINC000351774862 521468229 /nfs/dbraw/zinc/46/82/29/521468229.db2.gz OTMMJESFPXDIIC-UHFFFAOYSA-N -1 0 306.278 -0.093 20 0 DBADRM O=C(CNC(=O)OCC(F)(F)F)NCCc1nc(=O)o[n-]1 ZINC000496118677 534575030 /nfs/dbraw/zinc/57/50/30/534575030.db2.gz BBLHZXMSTAAEHS-UHFFFAOYSA-N -1 0 312.204 -0.690 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])C(C)C)cn1C ZINC000037994518 521787537 /nfs/dbraw/zinc/78/75/37/521787537.db2.gz CRZMHJBJQOUTOS-UHFFFAOYSA-N -1 0 317.367 -0.132 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000268995079 522305983 /nfs/dbraw/zinc/30/59/83/522305983.db2.gz VHGUBWGVSXKJEO-HHPMHXJSSA-N -1 0 323.349 -0.287 20 0 DBADRM COC[C@@H](O)CCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000346016107 522392210 /nfs/dbraw/zinc/39/22/10/522392210.db2.gz ZXVACPBVWMMYSZ-QMMMGPOBSA-N -1 0 308.294 -0.437 20 0 DBADRM CN(C1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1)S(C)(=O)=O ZINC000262629953 522413536 /nfs/dbraw/zinc/41/35/36/522413536.db2.gz OCWJQWYFYZBAMT-VHSXEESVSA-N -1 0 304.368 -0.411 20 0 DBADRM CN(CC(=O)NCCc1ccc(C(=O)[O-])cc1)S(C)(=O)=O ZINC000262254368 522478684 /nfs/dbraw/zinc/47/86/84/522478684.db2.gz DPWQAUDQGPTQAP-UHFFFAOYSA-N -1 0 314.363 -0.065 20 0 DBADRM CN(CC(=O)NCc1ccc(C(=O)[O-])cc1)S(C)(=O)=O ZINC000262164934 522485593 /nfs/dbraw/zinc/48/55/93/522485593.db2.gz KWXHKJGSOGGRCB-UHFFFAOYSA-N -1 0 300.336 -0.108 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000037417409 522528646 /nfs/dbraw/zinc/52/86/46/522528646.db2.gz IKXQGNPAQYKAAS-UHFFFAOYSA-N -1 0 308.337 -0.961 20 0 DBADRM COC[C@H](O)CCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000346016104 522777838 /nfs/dbraw/zinc/77/78/38/522777838.db2.gz ZXVACPBVWMMYSZ-MRVPVSSYSA-N -1 0 308.294 -0.437 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000037932306 522920352 /nfs/dbraw/zinc/92/03/52/522920352.db2.gz SZCOYZCOEIIDDO-UHFFFAOYSA-N -1 0 308.356 -0.477 20 0 DBADRM CC[C@@H](O)CN1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000267585058 523001042 /nfs/dbraw/zinc/00/10/42/523001042.db2.gz JYOREYNUHNJORE-SNVBAGLBSA-N -1 0 310.354 -0.985 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000129483654 523033882 /nfs/dbraw/zinc/03/38/82/523033882.db2.gz YOQLCGHNEOBJAL-VIFPVBQESA-N -1 0 309.340 -0.555 20 0 DBADRM COCc1nc(=NC(=O)CCSc2nnnn2C)s[n-]1 ZINC000344054115 523165145 /nfs/dbraw/zinc/16/51/45/523165145.db2.gz VHYIUBOFRKOUDL-UHFFFAOYSA-N -1 0 315.384 -0.249 20 0 DBADRM COCc1nc(=NC(=O)CNC(=O)c2ncccc2O)s[n-]1 ZINC000345769351 523165575 /nfs/dbraw/zinc/16/55/75/523165575.db2.gz JPQVKNHWVUFILW-UHFFFAOYSA-N -1 0 323.334 -0.425 20 0 DBADRM COCc1noc(CSc2n[n-]c3nc(=O)c(C)nn32)n1 ZINC000346608450 523266473 /nfs/dbraw/zinc/26/64/73/523266473.db2.gz NBFAYTPBBYMGRH-UHFFFAOYSA-N -1 0 309.311 -0.057 20 0 DBADRM COc1ccc(=NC(=O)C(=O)N2CCC[C@@H](CO)CC2)[n-]n1 ZINC000344140442 523474962 /nfs/dbraw/zinc/47/49/62/523474962.db2.gz FIEMDKZJISVJHL-SNVBAGLBSA-N -1 0 308.338 -0.533 20 0 DBADRM COC(=O)[C@@H](CF)[N-]S(=O)(=O)CCCN1CCOCC1 ZINC000345041548 523577530 /nfs/dbraw/zinc/57/75/30/523577530.db2.gz MTCSKGFJQKEFFS-SNVBAGLBSA-N -1 0 312.363 -0.861 20 0 DBADRM CC[C@@](C)(NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000268904905 523648170 /nfs/dbraw/zinc/64/81/70/523648170.db2.gz XIVGPNKJRGBSOP-PSKZRQQASA-N -1 0 309.322 -0.533 20 0 DBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC ZINC000344977607 523900635 /nfs/dbraw/zinc/90/06/35/523900635.db2.gz RSPSGCKYDVPRDK-CIUDSAMLSA-N -1 0 311.331 -0.241 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@H]1C)c1ccn(C)n1 ZINC000345724587 523929979 /nfs/dbraw/zinc/92/99/79/523929979.db2.gz QYPLGHNAFKYQQJ-INTQDDNPSA-N -1 0 317.367 -0.269 20 0 DBADRM CN(C)C(=O)C1(CNC(=O)c2cnc([O-])n(C)c2=O)CCCC1 ZINC000267547973 523970475 /nfs/dbraw/zinc/97/04/75/523970475.db2.gz BWJPYRABPOVNKN-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)n1 ZINC000265440733 524001181 /nfs/dbraw/zinc/00/11/81/524001181.db2.gz VZCNUWUYPBUKTF-SNVBAGLBSA-N -1 0 316.383 -0.108 20 0 DBADRM CNC(=O)Cn1[nH]c(=NC(=O)N=c2ccc(OC)n[n-]2)cc1C ZINC000346684011 524076208 /nfs/dbraw/zinc/07/62/08/524076208.db2.gz SGHVPLCZMQIQFZ-UHFFFAOYSA-N -1 0 319.325 -0.776 20 0 DBADRM CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037501906 524082599 /nfs/dbraw/zinc/08/25/99/524082599.db2.gz WQDMIFJHXYJHHC-ZETCQYMHSA-N -1 0 302.308 -0.123 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CC(=O)N(C)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000265771315 524127006 /nfs/dbraw/zinc/12/70/06/524127006.db2.gz DXLZQPWHCXBHQB-SSDOTTSWSA-N -1 0 317.305 -0.295 20 0 DBADRM Cc1ccc(CCC(=O)NCC(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC000262424911 524292986 /nfs/dbraw/zinc/29/29/86/524292986.db2.gz BBJYDVYSBILNMM-INIZCTEOSA-N -1 0 322.361 -0.004 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000262506336 524294894 /nfs/dbraw/zinc/29/48/94/524294894.db2.gz ZZWBNMQPCPHQEA-QMMMGPOBSA-N -1 0 317.367 -0.180 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000262450076 524295743 /nfs/dbraw/zinc/29/57/43/524295743.db2.gz JPDWAYDOGCSSSF-ZETCQYMHSA-N -1 0 322.364 -0.421 20 0 DBADRM COc1ccc(S(=O)(=O)N(C)CC(=O)[O-])cc1C(N)=O ZINC000037419996 525002129 /nfs/dbraw/zinc/00/21/29/525002129.db2.gz CBASGXPMWIWNTN-UHFFFAOYSA-N -1 0 302.308 -0.501 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC(C(C)(C)O)C2)C1 ZINC000332496021 525192385 /nfs/dbraw/zinc/19/23/85/525192385.db2.gz YGIGLPLZQDPOMF-NXEZZACHSA-N -1 0 312.366 -0.215 20 0 DBADRM Cc1ccccc1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000088715182 525332375 /nfs/dbraw/zinc/33/23/75/525332375.db2.gz XZNYSZZDCHVNGV-VIFPVBQESA-N -1 0 300.336 -0.008 20 0 DBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@@H](C)N1CCOCC1 ZINC000267551401 525371564 /nfs/dbraw/zinc/37/15/64/525371564.db2.gz CJYZHHYDGVXUSI-NXEZZACHSA-N -1 0 310.354 -0.675 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000262434116 525508689 /nfs/dbraw/zinc/50/86/89/525508689.db2.gz FWWYKJOXCUSNEB-LURJTMIESA-N -1 0 308.337 -0.764 20 0 DBADRM Cc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000090275863 525635606 /nfs/dbraw/zinc/63/56/06/525635606.db2.gz PJZBVVKQOXZBML-ZDUSSCGKSA-N -1 0 315.347 -0.036 20 0 DBADRM C[C@@](O)(CNC(=O)CCCS(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000262351416 525767787 /nfs/dbraw/zinc/76/77/87/525767787.db2.gz FGLVOZDTTYJXMR-GFCCVEGCSA-N -1 0 322.383 -0.856 20 0 DBADRM Cc1cc(C(=O)N2CCN(C)C(=O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266812026 526252952 /nfs/dbraw/zinc/25/29/52/526252952.db2.gz CUACBVOQJZZKLL-UHFFFAOYSA-N -1 0 317.305 -0.341 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCC[C@@H]2CCOC2)CCS1(=O)=O ZINC000333603387 526284716 /nfs/dbraw/zinc/28/47/16/526284716.db2.gz QTZMRNGRSRUVTF-ZJUUUORDSA-N -1 0 320.367 -0.694 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000040503909 526289198 /nfs/dbraw/zinc/28/91/98/526289198.db2.gz YDPRMDADHYLLSS-APPZFPTMSA-N -1 0 311.319 -0.229 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1CC(=O)N1CCCCC1 ZINC000333606562 526292763 /nfs/dbraw/zinc/29/27/63/526292763.db2.gz RGQOCHUDEYVVJC-VIFPVBQESA-N -1 0 309.326 -0.735 20 0 DBADRM Cc1nn2c([n-]nc2SCCN2CCOC[C@H]2C)nc1=O ZINC000347685044 526312939 /nfs/dbraw/zinc/31/29/39/526312939.db2.gz KEKHFSHFIFSTIF-MRVPVSSYSA-N -1 0 310.383 -0.066 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)N1CCSCC1 ZINC000333583730 526335514 /nfs/dbraw/zinc/33/55/14/526335514.db2.gz OFRBAPAOJOGSRC-SSDOTTSWSA-N -1 0 313.339 -0.579 20 0 DBADRM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000132038417 526347091 /nfs/dbraw/zinc/34/70/91/526347091.db2.gz ZIXBCVAJRJVGTB-UHFFFAOYSA-N -1 0 320.273 -0.217 20 0 DBADRM O=C(CN1C(=O)COc2ccccc21)N[C@@]1(C(=O)[O-])CCOC1 ZINC000262126138 526709396 /nfs/dbraw/zinc/70/93/96/526709396.db2.gz PYGYCFUOSAAHES-HNNXBMFYSA-N -1 0 320.301 -0.228 20 0 DBADRM Cc1nscc1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000333648858 526719255 /nfs/dbraw/zinc/71/92/55/526719255.db2.gz YQDPIJOSPJVEFX-QMMMGPOBSA-N -1 0 304.349 -0.225 20 0 DBADRM O=C(CN1CCCS1(=O)=O)NC1(c2nnn[n-]2)CCCC1 ZINC000346353613 526747989 /nfs/dbraw/zinc/74/79/89/526747989.db2.gz RNGSBQVOHGAFMD-UHFFFAOYSA-N -1 0 314.371 -0.879 20 0 DBADRM O=C(CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)NC(=O)NC1CC1 ZINC000344078783 526749359 /nfs/dbraw/zinc/74/93/59/526749359.db2.gz XNNNTOZENXUUDH-MRVPVSSYSA-N -1 0 308.342 -0.322 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-] ZINC000021515905 526876604 /nfs/dbraw/zinc/87/66/04/526876604.db2.gz SBTZKZNOLJWCMH-VIFPVBQESA-N -1 0 304.299 -0.177 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCCCO ZINC000339245388 526885720 /nfs/dbraw/zinc/88/57/20/526885720.db2.gz DKKRUUQBBNDUPD-UHFFFAOYSA-N -1 0 308.306 -0.258 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CC[C@@H](O)C1 ZINC000339240875 526886117 /nfs/dbraw/zinc/88/61/17/526886117.db2.gz PCIZNNDWOBGNMA-MRVPVSSYSA-N -1 0 320.317 -0.164 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000343713632 526923861 /nfs/dbraw/zinc/92/38/61/526923861.db2.gz UHOZMEHYUJHPRB-UHFFFAOYSA-N -1 0 317.305 -0.107 20 0 DBADRM CC(C)(C)n1cnc(=NC(=O)N=c2ccn(CCC(N)=O)[nH]2)[n-]1 ZINC000446269226 526930512 /nfs/dbraw/zinc/93/05/12/526930512.db2.gz LLMQUKQEFDBFIQ-UHFFFAOYSA-N -1 0 320.357 -0.407 20 0 DBADRM NC(=O)[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000344771855 526953286 /nfs/dbraw/zinc/95/32/86/526953286.db2.gz KQCSAXPEWQNSNJ-ZCFIWIBFSA-N -1 0 314.697 -0.257 20 0 DBADRM O=C1CN(S(=O)(=O)[N-]CC(F)(F)F)CCN1C1CC1 ZINC000337215365 527006543 /nfs/dbraw/zinc/00/65/43/527006543.db2.gz YKSZQMALIXPDHP-UHFFFAOYSA-N -1 0 301.290 -0.310 20 0 DBADRM CC(=O)Nc1ccc(O)c(C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000447638353 527017736 /nfs/dbraw/zinc/01/77/36/527017736.db2.gz YKJRKMAIKNPIGA-UHFFFAOYSA-N -1 0 306.278 -0.001 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N(CC(=O)[O-])c2ccccc2)c1=O ZINC000336864035 527032470 /nfs/dbraw/zinc/03/24/70/527032470.db2.gz LRUHRRMZPVKZMT-UHFFFAOYSA-N -1 0 317.301 -0.335 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c1=O ZINC000261830515 527033458 /nfs/dbraw/zinc/03/34/58/527033458.db2.gz HZEUAZKPWIQJTK-OPQQBVKSSA-N -1 0 321.333 -0.741 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1=O ZINC000261830518 527033560 /nfs/dbraw/zinc/03/35/60/527033560.db2.gz HZEUAZKPWIQJTK-OUJBWJOFSA-N -1 0 321.333 -0.741 20 0 DBADRM O=C(Cc1[nH]c(O)nc1O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000343851693 527182292 /nfs/dbraw/zinc/18/22/92/527182292.db2.gz DHNWYMFGMHKTFJ-SECBINFHSA-N -1 0 315.293 -0.673 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000344887803 527223421 /nfs/dbraw/zinc/22/34/21/527223421.db2.gz CCVOMNDMFMSSRG-ZETCQYMHSA-N -1 0 324.346 -0.203 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@@H]3CCOC3)cc-2c(=O)[n-]1 ZINC000345345240 527238267 /nfs/dbraw/zinc/23/82/67/527238267.db2.gz IFENWOXFCXQFOF-ZCFIWIBFSA-N -1 0 312.307 -0.497 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@H]3CC[C@@H]3C(=O)[O-])C2=O)cn1 ZINC000262628791 527257843 /nfs/dbraw/zinc/25/78/43/527257843.db2.gz FECNLKWJYDXPKB-DCAQKATOSA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)cc1C(=O)[O-] ZINC000084088926 527290033 /nfs/dbraw/zinc/29/00/33/527290033.db2.gz YOVBGWPUZDGEEH-MRVPVSSYSA-N -1 0 315.351 -0.378 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)cc1C(N)=O ZINC000347265269 527290233 /nfs/dbraw/zinc/29/02/33/527290233.db2.gz GZMUJXXZALKZSU-UHFFFAOYSA-N -1 0 323.334 -0.581 20 0 DBADRM Cc1ncc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)s1 ZINC000339077912 527305115 /nfs/dbraw/zinc/30/51/15/527305115.db2.gz YFKUTYATCHPOEM-UHFFFAOYSA-N -1 0 301.353 -0.066 20 0 DBADRM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2nncs2)c1 ZINC000339414397 527323033 /nfs/dbraw/zinc/32/30/33/527323033.db2.gz XAWPKUCWQAVRKT-UHFFFAOYSA-N -1 0 320.377 -0.014 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)CCN1CCCS1(=O)=O ZINC000263235788 527631951 /nfs/dbraw/zinc/63/19/51/527631951.db2.gz BPMVXVCQIOVFQT-SNVBAGLBSA-N -1 0 320.367 -0.886 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)c2ccccc2-n2cnnn2)CCO1 ZINC000262813831 527636712 /nfs/dbraw/zinc/63/67/12/527636712.db2.gz QOPRKMUHXLORRR-JTQLQIEISA-N -1 0 317.305 -0.022 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCCn1cncn1)C(=O)[O-] ZINC000424514625 528318095 /nfs/dbraw/zinc/31/80/95/528318095.db2.gz GOEONNRZDXZWHY-JTQLQIEISA-N -1 0 311.342 -0.743 20 0 DBADRM CC(C)C[C@@H]1C[C@H](C(=O)NCCc2nc(=O)o[n-]2)CC(=O)N1 ZINC000447638040 528396118 /nfs/dbraw/zinc/39/61/18/528396118.db2.gz VDOQTFFLWUOZLL-VHSXEESVSA-N -1 0 310.354 -0.038 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C)C1=O)C(=O)[O-] ZINC000424511916 528522099 /nfs/dbraw/zinc/52/20/99/528522099.db2.gz ZIVDLICVFPRTBJ-ZJUUUORDSA-N -1 0 313.354 -0.804 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)NCCCNC(C)=O)C(=O)[O-] ZINC000424493181 528658524 /nfs/dbraw/zinc/65/85/24/528658524.db2.gz NPDTUOXSAWVZCZ-UHFFFAOYSA-N -1 0 315.370 -0.364 20 0 DBADRM CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)nn1 ZINC000408477999 534952401 /nfs/dbraw/zinc/95/24/01/534952401.db2.gz HRZHDZLGQOGSPG-MRVPVSSYSA-N -1 0 302.356 -0.118 20 0 DBADRM CC(C)N(CC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC000362170416 535039704 /nfs/dbraw/zinc/03/97/04/535039704.db2.gz OXYOYFKLMAXLHM-UHFFFAOYSA-N -1 0 301.386 -0.454 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000356632364 535069267 /nfs/dbraw/zinc/06/92/67/535069267.db2.gz AMQQWZDQUIKGIW-YUMQZZPRSA-N -1 0 318.399 -0.123 20 0 DBADRM CC(C)C[C@H]1C(=O)NCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000275852678 535325070 /nfs/dbraw/zinc/32/50/70/535325070.db2.gz IBWLXHBAJKVUAG-QMMMGPOBSA-N -1 0 313.383 -0.437 20 0 DBADRM CCN(CC)S(=O)(=O)CCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1 ZINC000357418784 535618384 /nfs/dbraw/zinc/61/83/84/535618384.db2.gz JTIWAHDVMJJZSE-UWVGGRQHSA-N -1 0 322.383 -0.594 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)Cn1[n-]c(SC)nc1=O)C(=O)OC ZINC000355934013 535704989 /nfs/dbraw/zinc/70/49/89/535704989.db2.gz FWLGOMNIZYLQRV-APPZFPTMSA-N -1 0 316.383 -0.003 20 0 DBADRM CCn1nccc1S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-] ZINC000275812340 535890387 /nfs/dbraw/zinc/89/03/87/535890387.db2.gz XVEODLIBHQHYAW-NSHDSACASA-N -1 0 305.356 -0.345 20 0 DBADRM CCn1nccc1S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-] ZINC000275812338 535891494 /nfs/dbraw/zinc/89/14/94/535891494.db2.gz XVEODLIBHQHYAW-LLVKDONJSA-N -1 0 305.356 -0.345 20 0 DBADRM CCn1cc(-c2nn(C)cc2C(=O)[N-]n2cn[nH]c2=O)cn1 ZINC000275183359 536013667 /nfs/dbraw/zinc/01/36/67/536013667.db2.gz HXSBBCVIWVMRKZ-UHFFFAOYSA-N -1 0 302.298 -0.428 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)[O-])cc2F)C1=O ZINC000343097781 536306502 /nfs/dbraw/zinc/30/65/02/536306502.db2.gz BTMUCCSYHLZXSR-UHFFFAOYSA-N -1 0 323.236 -0.117 20 0 DBADRM CN1C(=O)CN([N-]S(=O)(=O)c2ccc3c(c2)CCO3)C1=O ZINC000272890173 536313863 /nfs/dbraw/zinc/31/38/63/536313863.db2.gz NMFOXVDPIDKNNM-UHFFFAOYSA-N -1 0 311.319 -0.291 20 0 DBADRM COc1c(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c(C)nn1C ZINC000408382403 536847504 /nfs/dbraw/zinc/84/75/04/536847504.db2.gz CYJAEJUJGXFCPU-QMMMGPOBSA-N -1 0 303.340 -0.414 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)NCCCCCC(=O)[O-] ZINC000340451940 536921359 /nfs/dbraw/zinc/92/13/59/536921359.db2.gz ORIWQPWDTCAYJX-UHFFFAOYSA-N -1 0 315.413 -0.015 20 0 DBADRM CC(C)[C@@H](C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000735701764 598855314 /nfs/dbraw/zinc/85/53/14/598855314.db2.gz LTFWUVLWOUVNKN-QMMMGPOBSA-N -1 0 307.358 -0.032 20 0 DBADRM CC(C)[C@H](C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000735701763 598855555 /nfs/dbraw/zinc/85/55/55/598855555.db2.gz LTFWUVLWOUVNKN-MRVPVSSYSA-N -1 0 307.358 -0.032 20 0 DBADRM O=S(=O)([N-]c1nnc[nH]1)c1ccc(-c2nn[nH]n2)cc1F ZINC000738338803 598910522 /nfs/dbraw/zinc/91/05/22/598910522.db2.gz JOBSGLCKSBXRFM-UHFFFAOYSA-N -1 0 310.274 -0.075 20 0 DBADRM C[C@H](CC(=O)N(C)C[C@@H](O)CN1CCOCC1)NC(=O)[O-] ZINC000824550658 603560747 /nfs/dbraw/zinc/56/07/47/603560747.db2.gz HGTYKWTXSVGYBW-GHMZBOCLSA-N -1 0 303.359 -0.816 20 0 DBADRM CC(C)N1CC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1=O ZINC000708565086 601261932 /nfs/dbraw/zinc/26/19/32/601261932.db2.gz TYEDXYPKHZAASN-VIFPVBQESA-N -1 0 307.372 -0.763 20 0 DBADRM C[C@@H]1C[C@H](C)N(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000736226936 598972587 /nfs/dbraw/zinc/97/25/87/598972587.db2.gz JSCUUSFNPDUHPY-SFYZADRCSA-N -1 0 305.342 -0.501 20 0 DBADRM C[C@@H]1C[C@H](C)CN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736226935 598972945 /nfs/dbraw/zinc/97/29/45/598972945.db2.gz JSCUUSFNPDUHPY-JGVFFNPUSA-N -1 0 305.342 -0.501 20 0 DBADRM CO[C@H](C)c1noc(CN(C)CC(=O)NCCC(=O)[O-])n1 ZINC000831505940 601380328 /nfs/dbraw/zinc/38/03/28/601380328.db2.gz WFIVUIZOSRXNGY-MRVPVSSYSA-N -1 0 300.315 -0.200 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC(OCC(F)F)C1 ZINC000707335606 601580615 /nfs/dbraw/zinc/58/06/15/601580615.db2.gz FVDOCVYUPPFRPX-UHFFFAOYSA-N -1 0 302.299 -0.396 20 0 DBADRM CN(CC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000830674824 601820078 /nfs/dbraw/zinc/82/00/78/601820078.db2.gz RXVXZVDDUUZLHG-SECBINFHSA-N -1 0 306.384 -0.668 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CCN1C(=O)CCC1=O ZINC000829946145 602078483 /nfs/dbraw/zinc/07/84/83/602078483.db2.gz HPMLGTIRVBCJOJ-SECBINFHSA-N -1 0 300.311 -0.526 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CCN(CC(N)=O)CC1 ZINC000739287620 602190130 /nfs/dbraw/zinc/19/01/30/602190130.db2.gz WCQKTYUIJISNSL-ZDUSSCGKSA-N -1 0 300.359 -0.558 20 0 DBADRM C[C@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CCN1C(=O)[O-] ZINC000739119532 602939137 /nfs/dbraw/zinc/93/91/37/602939137.db2.gz HGUYOAHERQONHT-QMMMGPOBSA-N -1 0 307.372 -0.475 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738951084 602979792 /nfs/dbraw/zinc/97/97/92/602979792.db2.gz OIPGSGWEIOVANF-IUCAKERBSA-N -1 0 307.372 -0.281 20 0 DBADRM CC(C)OCCCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738858140 603005591 /nfs/dbraw/zinc/00/55/91/603005591.db2.gz MXXCGXZHALNSOL-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM COC[C@H](C)S(=O)(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739808983 603023818 /nfs/dbraw/zinc/02/38/18/603023818.db2.gz WCKUGGOVYZZYCW-JTQLQIEISA-N -1 0 309.388 -0.764 20 0 DBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)CN1CCCS1(=O)=O ZINC000738766876 603123654 /nfs/dbraw/zinc/12/36/54/603123654.db2.gz BMUHWJLBIPWCFB-GFCCVEGCSA-N -1 0 321.399 -0.180 20 0 DBADRM NS(=O)(=O)CCNC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000740337159 603145189 /nfs/dbraw/zinc/14/51/89/603145189.db2.gz FUYRJMSRPCWUAB-UHFFFAOYSA-N -1 0 308.360 -0.847 20 0 DBADRM CNS(=O)(=O)CCCOC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739748461 603160839 /nfs/dbraw/zinc/16/08/39/603160839.db2.gz CDKGENJXWYBXII-SECBINFHSA-N -1 0 308.356 -0.141 20 0 DBADRM CN(CC(=O)[O-])C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000737979084 596899768 /nfs/dbraw/zinc/89/97/68/596899768.db2.gz IECNIWIOOXLDRE-UHFFFAOYSA-N -1 0 312.303 -0.626 20 0 DBADRM CN(C)CCN(CC(=O)[O-])C(=O)CS(=O)(=O)C1CCCC1 ZINC000739606086 596902146 /nfs/dbraw/zinc/90/21/46/596902146.db2.gz BEAXWSIWEZCKDN-UHFFFAOYSA-N -1 0 320.411 -0.181 20 0 DBADRM CN(CC(=O)[O-])CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000739631069 596907484 /nfs/dbraw/zinc/90/74/84/596907484.db2.gz DRMJEZHYAYTQNS-UHFFFAOYSA-N -1 0 301.324 -0.711 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000050351025 596930110 /nfs/dbraw/zinc/93/01/10/596930110.db2.gz JPOPHIJDBIGDSC-VIFPVBQESA-N -1 0 311.381 -0.558 20 0 DBADRM NC(=O)C[C@@H](NC(=O)CSCC(=O)[O-])C1CCOCC1 ZINC000819116969 596932424 /nfs/dbraw/zinc/93/24/24/596932424.db2.gz NBCSFXNIQJWTOH-SECBINFHSA-N -1 0 304.368 -0.409 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCC(C(=O)[O-])CC1 ZINC000737561134 596938083 /nfs/dbraw/zinc/93/80/83/596938083.db2.gz NRWBAJQZSVDZPW-GXSJLCMTSA-N -1 0 318.395 -0.525 20 0 DBADRM CN(CC(N)=O)C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000739635947 596960947 /nfs/dbraw/zinc/96/09/47/596960947.db2.gz VWELHDCXFQRGPL-LLVKDONJSA-N -1 0 304.306 -0.350 20 0 DBADRM O=C([O-])[C@H]1CC(C(=O)NC2=NCC(=O)N2)=NN1c1ccccc1 ZINC000740729470 596962065 /nfs/dbraw/zinc/96/20/65/596962065.db2.gz DMGQZVVCVODUBU-SNVBAGLBSA-N -1 0 315.289 -0.692 20 0 DBADRM O=C([O-])[C@@H]1CC(C(=O)NC2=NCC(=O)N2)=NN1c1ccccc1 ZINC000740729468 596962090 /nfs/dbraw/zinc/96/20/90/596962090.db2.gz DMGQZVVCVODUBU-JTQLQIEISA-N -1 0 315.289 -0.692 20 0 DBADRM CN(CCC(=O)[O-])C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000818447796 597011429 /nfs/dbraw/zinc/01/14/29/597011429.db2.gz KBOVLFIFDDSPTO-UHFFFAOYSA-N -1 0 304.324 -0.125 20 0 DBADRM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000739605991 597012076 /nfs/dbraw/zinc/01/20/76/597012076.db2.gz KVGXDKQPJNSAJH-UHFFFAOYSA-N -1 0 318.351 -0.229 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)n1 ZINC000818547856 597037267 /nfs/dbraw/zinc/03/72/67/597037267.db2.gz YSBGYYNGFPJFQM-JTQLQIEISA-N -1 0 312.326 -0.307 20 0 DBADRM COc1ccc(NC(=O)C(=O)NCC(=O)[O-])c(OC)c1OC ZINC000739913733 597044635 /nfs/dbraw/zinc/04/46/35/597044635.db2.gz ARBVLXSARYVBRJ-UHFFFAOYSA-N -1 0 312.278 -0.148 20 0 DBADRM CS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000739986222 597044806 /nfs/dbraw/zinc/04/48/06/597044806.db2.gz PTCOWDXKYQMWTB-UHFFFAOYSA-N -1 0 314.319 -0.630 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000740482576 597045386 /nfs/dbraw/zinc/04/53/86/597045386.db2.gz VFSSRSSBRLEVJJ-UHFFFAOYSA-N -1 0 309.253 -0.150 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC(=O)[O-])ccc1-n1cnnn1 ZINC000740078355 597046413 /nfs/dbraw/zinc/04/64/13/597046413.db2.gz FQYBRDSBZNYUMS-UHFFFAOYSA-N -1 0 304.266 -0.890 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000740482457 597046489 /nfs/dbraw/zinc/04/64/89/597046489.db2.gz AVPVNUIXCDZAFK-UHFFFAOYSA-N -1 0 321.289 -0.222 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccccc1N1CCOC1=O ZINC000740483249 597046937 /nfs/dbraw/zinc/04/69/37/597046937.db2.gz SPIHCYKHLUBYNF-UHFFFAOYSA-N -1 0 307.262 -0.218 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000740483237 597048507 /nfs/dbraw/zinc/04/85/07/597048507.db2.gz RYACSALGCVZUDH-UHFFFAOYSA-N -1 0 309.303 -0.130 20 0 DBADRM COC(=O)c1nn(CN(C)CC(=O)[O-])c(=O)c2noc(C)c21 ZINC000739791077 597053855 /nfs/dbraw/zinc/05/38/55/597053855.db2.gz FFRKGWISSSAQRN-UHFFFAOYSA-N -1 0 310.266 -0.547 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)CSCC(=O)[O-])C1 ZINC000128157943 597097458 /nfs/dbraw/zinc/09/74/58/597097458.db2.gz OLNOUSPEPIPGSY-QMMMGPOBSA-N -1 0 310.397 -0.656 20 0 DBADRM O=C([O-])CSCC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000740485612 597101640 /nfs/dbraw/zinc/10/16/40/597101640.db2.gz BBVFQEFNFLJTGN-QWRGUYRKSA-N -1 0 302.396 -0.138 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000739467291 597102670 /nfs/dbraw/zinc/10/26/70/597102670.db2.gz YHEZFDBBJZLOLZ-UHFFFAOYSA-N -1 0 318.351 -0.962 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)CSCC(=O)[O-])CC2)[nH]1 ZINC000740219397 597102724 /nfs/dbraw/zinc/10/27/24/597102724.db2.gz PFOOECROPBSZES-UHFFFAOYSA-N -1 0 313.383 -0.425 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000740004647 597103959 /nfs/dbraw/zinc/10/39/59/597103959.db2.gz ITLHBQJZANFUGA-IBGZPJMESA-N -1 0 308.425 -0.673 20 0 DBADRM O=C([O-])CSCC(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000740485898 597104363 /nfs/dbraw/zinc/10/43/63/597104363.db2.gz QWLLLBMIWXNVDS-SECBINFHSA-N -1 0 300.340 -0.677 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)NCC(=O)[O-])ccc1F ZINC000739614400 597121353 /nfs/dbraw/zinc/12/13/53/597121353.db2.gz HGCOOQKPHDBPTO-UHFFFAOYSA-N -1 0 304.299 -0.110 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)OCc2cn(CC(=O)[O-])nn2)C1 ZINC000819116945 597123975 /nfs/dbraw/zinc/12/39/75/597123975.db2.gz LENGLLIHLGPAJM-QMMMGPOBSA-N -1 0 311.298 -0.803 20 0 DBADRM CS(=O)(=O)c1cccc(S(=O)(=O)NCCC(=O)[O-])c1 ZINC000261639436 597132272 /nfs/dbraw/zinc/13/22/72/597132272.db2.gz GAFCXLLHQMTZRA-UHFFFAOYSA-N -1 0 307.349 -0.157 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000818003500 597132870 /nfs/dbraw/zinc/13/28/70/597132870.db2.gz DETVEEFCDIUQRH-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)NCCN2C(=O)CNC2=O)c1 ZINC000738626878 597204974 /nfs/dbraw/zinc/20/49/74/597204974.db2.gz XXSMUSDUCGUCEH-UHFFFAOYSA-N -1 0 320.305 -0.013 20 0 DBADRM CC[C@@H](NC(=O)Nc1ccn(CCS(C)(=O)=O)n1)C(=O)[O-] ZINC000818293493 597208658 /nfs/dbraw/zinc/20/86/58/597208658.db2.gz NJUJKXGIWAHDKA-MRVPVSSYSA-N -1 0 318.355 -0.088 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)NCCC(=O)[O-])s1 ZINC000819130929 597211192 /nfs/dbraw/zinc/21/11/92/597211192.db2.gz OMOCWSKKMQFEAX-UHFFFAOYSA-N -1 0 307.353 -0.331 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)NCCC(=O)[O-])CC1 ZINC000818255807 597211688 /nfs/dbraw/zinc/21/16/88/597211688.db2.gz XQBKNBBIJDDUGG-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM CNS(=O)(=O)c1cccc(CNC(=O)NCCC(=O)[O-])c1 ZINC000818500675 597213647 /nfs/dbraw/zinc/21/36/47/597213647.db2.gz XNGWTUVNBVFHKX-UHFFFAOYSA-N -1 0 315.351 -0.131 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000817733484 597226532 /nfs/dbraw/zinc/22/65/32/597226532.db2.gz BBGLWVLWYWJKSP-SNVBAGLBSA-N -1 0 312.370 -0.545 20 0 DBADRM Cc1cc(N2CCC[C@H](NC(=O)NCCC(=O)[O-])C2=O)n(C)n1 ZINC000818829611 597226683 /nfs/dbraw/zinc/22/66/83/597226683.db2.gz BJJRUTADORWJDR-JTQLQIEISA-N -1 0 323.353 -0.002 20 0 DBADRM CCN(C1CCN(C(=O)NCCC(=O)[O-])CC1)S(C)(=O)=O ZINC000818193808 597227418 /nfs/dbraw/zinc/22/74/18/597227418.db2.gz VKGVMYYSIQMKQV-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000050351023 597228317 /nfs/dbraw/zinc/22/83/17/597228317.db2.gz JPOPHIJDBIGDSC-SECBINFHSA-N -1 0 311.381 -0.558 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)NCCCCCC(=O)[O-])CC1 ZINC000062084416 597236096 /nfs/dbraw/zinc/23/60/96/597236096.db2.gz MCBAVYNDXHKEFY-UHFFFAOYSA-N -1 0 321.399 -0.082 20 0 DBADRM NC(=O)CCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738444474 597244049 /nfs/dbraw/zinc/24/40/49/597244049.db2.gz RYFATMMLJKNKPL-UHFFFAOYSA-N -1 0 307.306 -0.366 20 0 DBADRM COc1cc(OC)c(OC)cc1NC(=O)C(=O)NCC(=O)[O-] ZINC000818564279 597249748 /nfs/dbraw/zinc/24/97/48/597249748.db2.gz NUIIXEZBCRWOOX-UHFFFAOYSA-N -1 0 312.278 -0.148 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)N1CCC(C(=O)[O-])CC1 ZINC000818638739 597297639 /nfs/dbraw/zinc/29/76/39/597297639.db2.gz BSWVLHWOHDOINC-UHFFFAOYSA-N -1 0 322.383 -0.446 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)CCO1 ZINC000819117064 597300909 /nfs/dbraw/zinc/30/09/09/597300909.db2.gz VDLYFHYHQQPDHT-NSHDSACASA-N -1 0 307.306 -0.220 20 0 DBADRM C[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000738954066 597311215 /nfs/dbraw/zinc/31/12/15/597311215.db2.gz JNIYLKOUNLOHGW-GZMMTYOYSA-N -1 0 304.306 -0.304 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1)C(=O)[O-] ZINC000818023148 597322781 /nfs/dbraw/zinc/32/27/81/597322781.db2.gz TZSOUFARXYIKRO-WPRPVWTQSA-N -1 0 319.317 -0.182 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc(-n2ccnn2)c1)C(=O)[O-] ZINC000818021988 597325124 /nfs/dbraw/zinc/32/51/24/597325124.db2.gz AYDZQVZZOWBGRW-QMMMGPOBSA-N -1 0 303.278 -0.205 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)C(=O)[O-] ZINC000818022493 597325495 /nfs/dbraw/zinc/32/54/95/597325495.db2.gz IGBFOUWYTVPTRO-WCBMZHEXSA-N -1 0 310.310 -0.410 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2)C(=O)[O-] ZINC000818019110 597325662 /nfs/dbraw/zinc/32/56/62/597325662.db2.gz XQCZJRYZZCHGBF-QMMMGPOBSA-N -1 0 319.317 -0.158 20 0 DBADRM C[C@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000738966182 597328681 /nfs/dbraw/zinc/32/86/81/597328681.db2.gz ZDMYQIOBPSWJJS-ZETCQYMHSA-N -1 0 302.308 -0.698 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccnn1Cc1ccccn1 ZINC000821530173 597342574 /nfs/dbraw/zinc/34/25/74/597342574.db2.gz ZNLLQSRZPZYEBQ-UHFFFAOYSA-N -1 0 303.278 -0.534 20 0 DBADRM NC(=O)c1cccc(C(=O)OCc2cn(CC(=O)[O-])nn2)c1 ZINC000821357031 597357211 /nfs/dbraw/zinc/35/72/11/597357211.db2.gz CBFWJSOKRKQHKP-UHFFFAOYSA-N -1 0 304.262 -0.181 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1cn(CC(=O)[O-])nn1 ZINC000820115039 597357706 /nfs/dbraw/zinc/35/77/06/597357706.db2.gz SHJWPNRZGNEHBL-MRVPVSSYSA-N -1 0 312.326 -0.043 20 0 DBADRM CN(C)c1ncc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC000820553948 597380495 /nfs/dbraw/zinc/38/04/95/597380495.db2.gz AQIIYYKZEZUMTP-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM CN(C)c1ncc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC000820554399 597380928 /nfs/dbraw/zinc/38/09/28/597380928.db2.gz PRLDFTIVOQGICL-QMMMGPOBSA-N -1 0 307.310 -0.586 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(-n3ccnc3)nn2)CCO1 ZINC000738546969 597381618 /nfs/dbraw/zinc/38/16/18/597381618.db2.gz HUIFILWNGCZQMB-SNVBAGLBSA-N -1 0 303.278 -0.412 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc2c1oc(=O)n2C)C(=O)[O-] ZINC000820115069 597384326 /nfs/dbraw/zinc/38/43/26/597384326.db2.gz SUZWNSLMUKALDM-ZCFIWIBFSA-N -1 0 307.262 -0.341 20 0 DBADRM Cc1cc(=O)n2nc(CN3CCO[C@@H](C(=O)[O-])C3)sc2n1 ZINC000049871682 597399472 /nfs/dbraw/zinc/39/94/72/597399472.db2.gz ZHGKHBAEJUVJST-MRVPVSSYSA-N -1 0 310.335 -0.255 20 0 DBADRM CCn1c(N)c(C(=O)CN2CCCC[C@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC000820507127 597429258 /nfs/dbraw/zinc/42/92/58/597429258.db2.gz SYWUPESTVXDUEZ-QMMMGPOBSA-N -1 0 324.337 -0.327 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)N[C@@H](C)C(=O)[O-])cn1 ZINC000818542643 597452024 /nfs/dbraw/zinc/45/20/24/597452024.db2.gz HOPMSXXWLMPOMB-QMMMGPOBSA-N -1 0 313.314 -0.760 20 0 DBADRM CN(CC(=O)N1CCCC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737976358 597457192 /nfs/dbraw/zinc/45/71/92/597457192.db2.gz YKMWFIOPYWWAQD-MNOVXSKESA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@H](C(=O)[O-])N(C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000817772048 597474479 /nfs/dbraw/zinc/47/44/79/597474479.db2.gz GTTOPAHKDCKFEE-LLVKDONJSA-N -1 0 323.349 -0.031 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000817772039 597477600 /nfs/dbraw/zinc/47/76/00/597477600.db2.gz FYNCCYPFAMLBGF-NSHDSACASA-N -1 0 301.387 -0.382 20 0 DBADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000261722086 597479072 /nfs/dbraw/zinc/47/90/72/597479072.db2.gz RDFCGEGVHHRLIY-MRVPVSSYSA-N -1 0 311.323 -0.244 20 0 DBADRM C[C@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)[O-] ZINC000737703967 597494675 /nfs/dbraw/zinc/49/46/75/597494675.db2.gz LSZSOMJYHWQYBY-ZETCQYMHSA-N -1 0 300.292 -0.500 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)[O-] ZINC000738388784 597495078 /nfs/dbraw/zinc/49/50/78/597495078.db2.gz IOYSDYGLYLZZAY-ZETCQYMHSA-N -1 0 306.296 -0.414 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)C1 ZINC000819248790 597496033 /nfs/dbraw/zinc/49/60/33/597496033.db2.gz SACBLILRSCNETI-ZETCQYMHSA-N -1 0 306.282 -0.280 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000737710324 597497801 /nfs/dbraw/zinc/49/78/01/597497801.db2.gz XBOBMTWRWVRIQD-YIZRAAEISA-N -1 0 319.335 -0.962 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000261912776 597503991 /nfs/dbraw/zinc/50/39/91/597503991.db2.gz WQWVPYBRTLGORE-MNOVXSKESA-N -1 0 318.395 -0.019 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000400103350 597509826 /nfs/dbraw/zinc/50/98/26/597509826.db2.gz BUMLAAHMBQUECI-VHSXEESVSA-N -1 0 319.383 -0.474 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000818486155 597517176 /nfs/dbraw/zinc/51/71/76/597517176.db2.gz LFFJSEZPRHKMJY-MRVPVSSYSA-N -1 0 307.306 -0.497 20 0 DBADRM Cc1nn(C)c2ncc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc12 ZINC000819029923 597517546 /nfs/dbraw/zinc/51/75/46/597517546.db2.gz MSSDLEDDQWWKRL-ZETCQYMHSA-N -1 0 305.294 -0.195 20 0 DBADRM COC(=O)COc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000818506385 597517953 /nfs/dbraw/zinc/51/79/53/597517953.db2.gz INIUKBDQFHIVIX-QMMMGPOBSA-N -1 0 324.289 -0.234 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000818490818 597522059 /nfs/dbraw/zinc/52/20/59/597522059.db2.gz JLTNBPPKANWLFU-JTQLQIEISA-N -1 0 319.317 -0.082 20 0 DBADRM NC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1F ZINC000819120573 597524547 /nfs/dbraw/zinc/52/45/47/597524547.db2.gz ILCIDBBTOJXNFC-SSDOTTSWSA-N -1 0 323.280 -0.204 20 0 DBADRM NC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000819117110 597524581 /nfs/dbraw/zinc/52/45/81/597524581.db2.gz YPZYGENCRJLBQB-JTQLQIEISA-N -1 0 319.317 -0.414 20 0 DBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000062132747 597532860 /nfs/dbraw/zinc/53/28/60/597532860.db2.gz ZOQSYLRCUGWKMN-QMMMGPOBSA-N -1 0 311.381 -0.700 20 0 DBADRM CCn1c(N)c(C(=O)CN2CC[C@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000818357475 597535330 /nfs/dbraw/zinc/53/53/30/597535330.db2.gz QECWGMHGDFAUSQ-ZETCQYMHSA-N -1 0 310.310 -0.860 20 0 DBADRM COCc1nc([C@H]2COCCN2C(=O)NCCC(=O)[O-])no1 ZINC000820748836 597665788 /nfs/dbraw/zinc/66/57/88/597665788.db2.gz AIIINTXYYZJPCB-MRVPVSSYSA-N -1 0 314.298 -0.226 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)CC2 ZINC000821224359 597666377 /nfs/dbraw/zinc/66/63/77/597666377.db2.gz BBAIXGOMOZDMJF-NXEZZACHSA-N -1 0 309.326 -0.604 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCn2cncc2C1)[C@@H](C)C(=O)[O-] ZINC000819744258 597686208 /nfs/dbraw/zinc/68/62/08/597686208.db2.gz BYMAKMHMNTVOKA-CMPLNLGQSA-N -1 0 322.365 -0.117 20 0 DBADRM CCN1C[C@@H](C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])CC1=O ZINC000262152871 597686299 /nfs/dbraw/zinc/68/62/99/597686299.db2.gz BCIANTMMBHIZCX-KOLCDFICSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc(C(N)=O)cn1)[C@H](C)C(=O)[O-] ZINC000819758179 597687373 /nfs/dbraw/zinc/68/73/73/597687373.db2.gz NGWCNXKHRUXOHG-MRVPVSSYSA-N -1 0 322.321 -0.768 20 0 DBADRM CCN1CCO[C@@H](C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])C1 ZINC000820354216 597689095 /nfs/dbraw/zinc/68/90/95/597689095.db2.gz MYONPOOQDITUJS-ZYHUDNBSSA-N -1 0 315.370 -0.855 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc(C(N)=O)o1)[C@@H](C)C(=O)[O-] ZINC000819758174 597690966 /nfs/dbraw/zinc/69/09/66/597690966.db2.gz MSUXQMUFYLUVDU-ZETCQYMHSA-N -1 0 311.294 -0.570 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccn(C)c(=O)c1)[C@@H](C)C(=O)[O-] ZINC000819758194 597691964 /nfs/dbraw/zinc/69/19/64/597691964.db2.gz OWQHYMNNVNMZPL-VIFPVBQESA-N -1 0 309.322 -0.563 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H](C)CS(C)(=O)=O)[C@@H](C)C(=O)[O-] ZINC000819744318 597694973 /nfs/dbraw/zinc/69/49/73/597694973.db2.gz GCEGQKNMDVNDFC-BDAKNGLRSA-N -1 0 322.383 -0.895 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NCCCCCC(=O)[O-])CCO1 ZINC000820631158 597711297 /nfs/dbraw/zinc/71/12/97/597711297.db2.gz QGNIRWGXKUXRII-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)C(=O)[O-] ZINC000819980575 597713994 /nfs/dbraw/zinc/71/39/94/597713994.db2.gz ZNUOCDYVHYUOPC-SNVBAGLBSA-N -1 0 309.322 -0.061 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000820949351 597714078 /nfs/dbraw/zinc/71/40/78/597714078.db2.gz RPHJZWTZEIGKEI-SECBINFHSA-N -1 0 307.306 -0.435 20 0 DBADRM NC(=O)CSc1nnc(SCC(=O)NCC(=O)[O-])s1 ZINC000821350324 597751544 /nfs/dbraw/zinc/75/15/44/597751544.db2.gz ZKHCNHYYIWEGNS-UHFFFAOYSA-N -1 0 322.393 -0.592 20 0 DBADRM C[C@]1(c2ccccc2F)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000818703862 597754064 /nfs/dbraw/zinc/75/40/64/597754064.db2.gz WVQLUKBKHNNWIC-CQSZACIVSA-N -1 0 323.280 -0.207 20 0 DBADRM Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCC(=O)[O-])C2=O)o1 ZINC000821076193 597754736 /nfs/dbraw/zinc/75/47/36/597754736.db2.gz VWVSDBGDXKJQCC-CYBMUJFWSA-N -1 0 309.278 -0.444 20 0 DBADRM COC(=O)c1ccc(-c2nnn(CC(=O)NCC(=O)[O-])n2)cc1 ZINC000737678922 597756420 /nfs/dbraw/zinc/75/64/20/597756420.db2.gz VZKFHADLBGOYPA-UHFFFAOYSA-N -1 0 319.277 -0.673 20 0 DBADRM Cn1c(SCC(=O)NCC(=O)[O-])nnc1-c1cnccn1 ZINC000821277903 597757996 /nfs/dbraw/zinc/75/79/96/597757996.db2.gz UPDSLXPJKNNDNY-UHFFFAOYSA-N -1 0 308.323 -0.435 20 0 DBADRM C[C@]1(c2ccccc2)CC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000315181411 597762371 /nfs/dbraw/zinc/76/23/71/597762371.db2.gz JKHQOTUVRAXGAK-OAHLLOKOSA-N -1 0 304.302 -0.096 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(CCOc2ccccc2)CC1 ZINC000821530779 597768236 /nfs/dbraw/zinc/76/82/36/597768236.db2.gz PISOXRPTZSQNFN-UHFFFAOYSA-N -1 0 321.377 -0.116 20 0 DBADRM COc1ccc(OC)c2c1CN(CC(=O)NCC(=O)[O-])C[C@@H]2O ZINC000820849774 597770250 /nfs/dbraw/zinc/77/02/50/597770250.db2.gz UIFYEBUXGUKWBH-JTQLQIEISA-N -1 0 324.333 -0.246 20 0 DBADRM Cc1cc(C(=O)N2CCN(CC(=O)NCC(=O)[O-])CC2)c(C)o1 ZINC000820959457 597772219 /nfs/dbraw/zinc/77/22/19/597772219.db2.gz RMCBOTJDJFMPRW-UHFFFAOYSA-N -1 0 323.349 -0.145 20 0 DBADRM C[C@@](NCC(=O)NCC(=O)[O-])(C(N)=O)c1cccc(Cl)c1 ZINC000820142421 597796922 /nfs/dbraw/zinc/79/69/22/597796922.db2.gz ULWIOUDEINUBAI-ZDUSSCGKSA-N -1 0 313.741 -0.169 20 0 DBADRM CC(C)c1nc([C@@H]2COCCN2CC(=O)NCC(=O)[O-])no1 ZINC000820062056 597810165 /nfs/dbraw/zinc/81/01/65/597810165.db2.gz ZHENNYBAVXGIGV-VIFPVBQESA-N -1 0 312.326 -0.233 20 0 DBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@@H](C)C(=O)[O-] ZINC000820374673 597820396 /nfs/dbraw/zinc/82/03/96/597820396.db2.gz VDAIZURPBCHOTG-LURJTMIESA-N -1 0 312.282 -0.875 20 0 DBADRM C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)NCC(=O)[O-])CS2 ZINC000820214648 597828760 /nfs/dbraw/zinc/82/87/60/597828760.db2.gz AWLFVCIJANYOST-MADCSZMMSA-N -1 0 316.335 -0.816 20 0 DBADRM NC(=O)NCc1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1 ZINC000821349832 597829354 /nfs/dbraw/zinc/82/93/54/597829354.db2.gz GSJAGTPCUIQMDZ-UHFFFAOYSA-N -1 0 309.278 -0.788 20 0 DBADRM CC(C)N(C)S(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736457185 600161226 /nfs/dbraw/zinc/16/12/26/600161226.db2.gz APGABIUWMHGFRY-UHFFFAOYSA-N -1 0 323.415 -0.710 20 0 DBADRM C[C@@H](NC(=O)c1cccs1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000820136594 597831644 /nfs/dbraw/zinc/83/16/44/597831644.db2.gz UFRNSBCOGMHXNH-SSDOTTSWSA-N -1 0 314.319 -0.390 20 0 DBADRM Cn1ncc(C(=O)OCC(=O)NCC(=O)[O-])c1-n1cccc1 ZINC000821315583 597832165 /nfs/dbraw/zinc/83/21/65/597832165.db2.gz YKPFWRQQASRBSM-UHFFFAOYSA-N -1 0 306.278 -0.432 20 0 DBADRM CC(C)(C)N1C[C@@H](C(=O)OCC(=O)NCC(=O)[O-])CC1=O ZINC000819908897 597832863 /nfs/dbraw/zinc/83/28/63/597832863.db2.gz YPECVNIQEOTTID-QMMMGPOBSA-N -1 0 300.311 -0.623 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(=O)OCCCC(=O)[O-])cn1 ZINC000738411195 597833643 /nfs/dbraw/zinc/83/36/43/597833643.db2.gz NIQDOJABVMOMPF-UHFFFAOYSA-N -1 0 305.312 -0.894 20 0 DBADRM Cc1ccc(-n2cc(C(=O)OCC(=O)NCC(=O)[O-])nn2)cc1 ZINC000821058475 597834114 /nfs/dbraw/zinc/83/41/14/597834114.db2.gz UFJTVBFNTLKFPT-UHFFFAOYSA-N -1 0 318.289 -0.067 20 0 DBADRM Cc1sc(=O)n(CC(=O)OCC(=O)NCC(=O)[O-])c1C ZINC000821256951 597837288 /nfs/dbraw/zinc/83/72/88/597837288.db2.gz DSWZSDQPFARIEF-UHFFFAOYSA-N -1 0 302.308 -0.729 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCCCC(=O)[O-] ZINC000820149521 597848438 /nfs/dbraw/zinc/84/84/38/597848438.db2.gz XUDLJYUGHDHADR-QMMMGPOBSA-N -1 0 319.339 -0.505 20 0 DBADRM CCOC(=O)N1CCN(C(=O)[C@H](C)N(C)CC(=O)[O-])CC1 ZINC000820369208 598041811 /nfs/dbraw/zinc/04/18/11/598041811.db2.gz VHUFEKPYRSMOJS-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)CSCC(=O)[O-])CC2)C1=O ZINC000820614302 598045810 /nfs/dbraw/zinc/04/58/10/598045810.db2.gz FSHOLVCNWOIWSB-UHFFFAOYSA-N -1 0 315.351 -0.653 20 0 DBADRM C[C@H](O)C[C@@H]1CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824698704 607779445 /nfs/dbraw/zinc/77/94/45/607779445.db2.gz NLLJNPCANFCTAW-IUCAKERBSA-N -1 0 306.330 -0.780 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000820006531 598076175 /nfs/dbraw/zinc/07/61/75/598076175.db2.gz SHZYFHLLBYTFKA-UHFFFAOYSA-N -1 0 301.324 -0.336 20 0 DBADRM CCn1c(N)c(C(=O)CN(CC(=O)[O-])C(C)C)c(=O)[nH]c1=O ZINC000820506807 598083162 /nfs/dbraw/zinc/08/31/62/598083162.db2.gz PYNCBVDYVXNYKS-UHFFFAOYSA-N -1 0 312.326 -0.471 20 0 DBADRM C[C@@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000214420694 598086937 /nfs/dbraw/zinc/08/69/37/598086937.db2.gz GDBOYIBVFXGAOR-SSDOTTSWSA-N -1 0 303.315 -0.783 20 0 DBADRM O=C([O-])Cn1cc(COC(=O)c2ccc3n[nH]c(=O)n3c2)nn1 ZINC000821539887 598149398 /nfs/dbraw/zinc/14/93/98/598149398.db2.gz PBOCGDPYUUGCFP-UHFFFAOYSA-N -1 0 318.249 -0.532 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CCO1 ZINC000821510513 598160987 /nfs/dbraw/zinc/16/09/87/598160987.db2.gz GRSUUEJYJRUUAC-SUNKGSAMSA-N -1 0 314.338 -0.181 20 0 DBADRM Cn1c2[nH]c(CN3CCCC[C@H]3C(=O)[O-])nc2c(=O)n(C)c1=O ZINC000821269188 598161974 /nfs/dbraw/zinc/16/19/74/598161974.db2.gz PGFCTVANZDVIMD-QMMMGPOBSA-N -1 0 321.337 -0.601 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)NCCCCC(=O)[O-])CC1 ZINC000821357002 598168127 /nfs/dbraw/zinc/16/81/27/598168127.db2.gz ABMPBGIICBZUKM-UHFFFAOYSA-N -1 0 307.372 -0.727 20 0 DBADRM COCCN(C(=O)NCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000244017506 598169541 /nfs/dbraw/zinc/16/95/41/598169541.db2.gz SOMNNRGDOGHXLN-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCc2nnc[nH]2)c(F)c1 ZINC000821431933 598171050 /nfs/dbraw/zinc/17/10/50/598171050.db2.gz JGWGMQUHEKWJAI-UHFFFAOYSA-N -1 0 321.268 -0.061 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@@H]1COCCO1 ZINC000821421475 598173708 /nfs/dbraw/zinc/17/37/08/598173708.db2.gz WFRVHRSNJLWOIX-SECBINFHSA-N -1 0 308.290 -0.145 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NCCc1nnc[nH]1 ZINC000821431833 598175853 /nfs/dbraw/zinc/17/58/53/598175853.db2.gz CGRPPXSYHWJTBX-UHFFFAOYSA-N -1 0 303.278 -0.200 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N(C)CCC(=O)[O-])O1 ZINC000820524303 598180337 /nfs/dbraw/zinc/18/03/37/598180337.db2.gz RBEWRUAPEZBHDO-NXEZZACHSA-N -1 0 301.343 -0.262 20 0 DBADRM O=C([O-])CCNC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000821525595 598190111 /nfs/dbraw/zinc/19/01/11/598190111.db2.gz WQMAZHCHAONFPU-BXKDBHETSA-N -1 0 320.367 -0.503 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)NCc2cccc(C(=O)[O-])c2)CCO1 ZINC000821345225 598191116 /nfs/dbraw/zinc/19/11/16/598191116.db2.gz PNLLAPYAUIRPHP-NSHDSACASA-N -1 0 307.306 -0.220 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1cocn1 ZINC000738138535 598332303 /nfs/dbraw/zinc/33/23/03/598332303.db2.gz FKWANBYQJKVPTG-UHFFFAOYSA-N -1 0 320.290 -0.027 20 0 DBADRM CCOCCN(CC)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736618161 598467557 /nfs/dbraw/zinc/46/75/57/598467557.db2.gz IHTFSYKCDFPESZ-UHFFFAOYSA-N -1 0 323.357 -0.873 20 0 DBADRM CC[C@@H]1CCCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736402255 598521010 /nfs/dbraw/zinc/52/10/10/598521010.db2.gz MORWJECYWZSUEH-MRVPVSSYSA-N -1 0 305.342 -0.357 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC(=O)c1cccs1 ZINC000737989510 598585667 /nfs/dbraw/zinc/58/56/67/598585667.db2.gz ZYCFTGQDFLMPOG-UHFFFAOYSA-N -1 0 318.322 -0.481 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cccc(-c3nnn[n-]3)c2=O)C[C@H](C)O1 ZINC000736282586 598677276 /nfs/dbraw/zinc/67/72/76/598677276.db2.gz YTZCAEJXDPAZLA-UWVGGRQHSA-N -1 0 318.337 -0.336 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)NCc1nnn[n-]1 ZINC000095221597 598696753 /nfs/dbraw/zinc/69/67/53/598696753.db2.gz KOKINQLCQISZQU-UHFFFAOYSA-N -1 0 301.270 -0.925 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000736658392 598752117 /nfs/dbraw/zinc/75/21/17/598752117.db2.gz DQEIRNINXJDCBW-UHFFFAOYSA-N -1 0 311.323 -0.289 20 0 DBADRM CCC[C@](C)(O)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736415625 598774326 /nfs/dbraw/zinc/77/43/26/598774326.db2.gz HNUHIFNQQCDGLT-ZDUSSCGKSA-N -1 0 323.357 -0.773 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@H](O)C(C)(C)C)n(C)c1=O ZINC000737596355 598776044 /nfs/dbraw/zinc/77/60/44/598776044.db2.gz MPCXUKVGQRQPPT-ZETCQYMHSA-N -1 0 323.357 -0.917 20 0 DBADRM CC(C)[C@H](C)N(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000735702643 598813474 /nfs/dbraw/zinc/81/34/74/598813474.db2.gz PVUOZPHGOSSQEC-QMMMGPOBSA-N -1 0 307.358 -0.255 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@]2(C)CCOC2)n(C)c1=O ZINC000737595056 598817755 /nfs/dbraw/zinc/81/77/55/598817755.db2.gz DSJGNFODZDOWIX-CYBMUJFWSA-N -1 0 321.341 -0.897 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccc(C)cn2)c1=O ZINC000821565461 607377201 /nfs/dbraw/zinc/37/72/01/607377201.db2.gz UIKJGOFBPBBUIM-UHFFFAOYSA-N -1 0 313.321 -0.038 20 0 DBADRM CC[C@@H](COC)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736351872 599531960 /nfs/dbraw/zinc/53/19/60/599531960.db2.gz IFKVDEPGVFNBMK-ZETCQYMHSA-N -1 0 309.330 -0.899 20 0 DBADRM O=C(COC(=O)[C@@H]1C[C@H]1C(=O)[O-])NC(=O)NCc1ccco1 ZINC000739321278 599703768 /nfs/dbraw/zinc/70/37/68/599703768.db2.gz OUHVVYTXHOIXTD-RKDXNWHRSA-N -1 0 310.262 -0.131 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CCNC(=O)[O-] ZINC000738164925 599720147 /nfs/dbraw/zinc/72/01/47/599720147.db2.gz HPFOFXPZQDPBDQ-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM O=C([O-])CCN1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000063155477 599729273 /nfs/dbraw/zinc/72/92/73/599729273.db2.gz AGYZGYLBKRYVDT-NSHDSACASA-N -1 0 306.384 -0.413 20 0 DBADRM O=C([O-])CCN1CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 ZINC000739728005 599730094 /nfs/dbraw/zinc/73/00/94/599730094.db2.gz MLZANGYHGSHTOZ-GFCCVEGCSA-N -1 0 320.411 -0.022 20 0 DBADRM CN(CCCC(=O)NCC1(C(N)=O)CCOCC1)C(=O)[O-] ZINC000737422348 599732832 /nfs/dbraw/zinc/73/28/32/599732832.db2.gz KZPNQYNBCVEAOZ-UHFFFAOYSA-N -1 0 301.343 -0.225 20 0 DBADRM CN(CCCC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC000737419716 599732859 /nfs/dbraw/zinc/73/28/59/599732859.db2.gz XVZJFYIRSDPMGU-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)C(C)(C)NC(=O)[O-] ZINC000737220813 599733610 /nfs/dbraw/zinc/73/36/10/599733610.db2.gz PAMHXHPQPHTPIJ-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM COC(=O)CSCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000737628350 599745195 /nfs/dbraw/zinc/74/51/95/599745195.db2.gz QXVSCJZGCZNRGC-QMMMGPOBSA-N -1 0 318.351 -0.916 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000736327277 599740450 /nfs/dbraw/zinc/74/04/50/599740450.db2.gz DEIHRGDINOEASD-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM Cc1ccc(N2C[C@H](C(=O)N[C@H](CO)C(=O)[O-])CC2=O)cc1 ZINC000170581055 599743250 /nfs/dbraw/zinc/74/32/50/599743250.db2.gz BIWADVFDADPBOD-ZYHUDNBSSA-N -1 0 306.318 -0.090 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000096596071 599743456 /nfs/dbraw/zinc/74/34/56/599743456.db2.gz WXXGKBREIGKHFV-RYUDHWBXSA-N -1 0 306.318 -0.403 20 0 DBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H](CO)C(=O)[O-])C2=O ZINC000738666053 599744460 /nfs/dbraw/zinc/74/44/60/599744460.db2.gz RHBLNYGEXBVYOF-JTQLQIEISA-N -1 0 306.274 -0.847 20 0 DBADRM Cc1cc(C(=O)N[C@@H](CO)C(=O)[O-])cc(S(N)(=O)=O)c1C ZINC000738333398 599745204 /nfs/dbraw/zinc/74/52/04/599745204.db2.gz UWSSTYDWKGPPQB-VIFPVBQESA-N -1 0 316.335 -0.874 20 0 DBADRM COc1ccc([C@@H](CC(=O)N[C@H](CO)C(=O)[O-])NC(C)=O)cc1 ZINC000737949804 599745264 /nfs/dbraw/zinc/74/52/64/599745264.db2.gz OXVIHZZJVGWWIN-CHWSQXEVSA-N -1 0 324.333 -0.176 20 0 DBADRM COC(=O)c1cn(CC(=O)N[C@@H](CO)C(=O)[O-])c2ccccc12 ZINC000737712318 599745321 /nfs/dbraw/zinc/74/53/21/599745321.db2.gz MEUBUQWAHUSABK-NSHDSACASA-N -1 0 320.301 -0.010 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)CCCN(C)C(=O)[O-])CC1 ZINC000737222753 599746795 /nfs/dbraw/zinc/74/67/95/599746795.db2.gz HXGAZTYQMCFNCD-UHFFFAOYSA-N -1 0 321.399 -0.130 20 0 DBADRM Cn1cc(CC(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC000738406462 599749166 /nfs/dbraw/zinc/74/91/66/599749166.db2.gz SEVZMWGRSXIGDQ-UHFFFAOYSA-N -1 0 309.322 -0.171 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)COc1ccc(C(N)=O)cc1 ZINC000737604116 599750308 /nfs/dbraw/zinc/75/03/08/599750308.db2.gz ATRYERLEMUXTSN-UHFFFAOYSA-N -1 0 324.289 -0.750 20 0 DBADRM CC(C)[C@H](C(=O)OCC(=O)NCCC(=O)[O-])N1CCCC1=O ZINC000736350241 599750362 /nfs/dbraw/zinc/75/03/62/599750362.db2.gz VGEXTYRDKZWSSB-CYBMUJFWSA-N -1 0 314.338 -0.233 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000737161723 599759982 /nfs/dbraw/zinc/75/99/82/599759982.db2.gz JDUFZXVISZRVCU-GFCCVEGCSA-N -1 0 317.386 -0.424 20 0 DBADRM O=C([O-])CSCCC(=O)NCCCN1C(=O)CCC1=O ZINC000739844973 599760455 /nfs/dbraw/zinc/76/04/55/599760455.db2.gz IYEXBHBWJCPHGQ-UHFFFAOYSA-N -1 0 302.352 -0.150 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])o1)N1CCOCC1 ZINC000736607650 599769990 /nfs/dbraw/zinc/76/99/90/599769990.db2.gz YKPLZEHDFKXWSU-VIFPVBQESA-N -1 0 318.351 -0.023 20 0 DBADRM CC[C@](C)(NC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000736861869 599770519 /nfs/dbraw/zinc/77/05/19/599770519.db2.gz SLJGZNVMSVUUJX-NSHDSACASA-N -1 0 318.355 -0.710 20 0 DBADRM O=C([O-])C1CCN([C@H]2CC(=O)N(c3cnccn3)C2=O)CC1 ZINC000738545125 599781754 /nfs/dbraw/zinc/78/17/54/599781754.db2.gz SPHMHZPMFIFVST-JTQLQIEISA-N -1 0 304.306 -0.095 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000262500520 599781867 /nfs/dbraw/zinc/78/18/67/599781867.db2.gz IEWKMMSBLOMXNT-VHSXEESVSA-N -1 0 306.384 -0.115 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CCn2cc[nH]c(=O)c2=O)cc1 ZINC000738459482 599782547 /nfs/dbraw/zinc/78/25/47/599782547.db2.gz KVGYJOUPYWYJFA-UHFFFAOYSA-N -1 0 317.301 -0.059 20 0 DBADRM COc1ccnc(N2CCN([C@H](C)C(=O)NCC(=O)[O-])CC2)c1 ZINC000738142609 599794381 /nfs/dbraw/zinc/79/43/81/599794381.db2.gz CLGKSPAOYJSTHG-LLVKDONJSA-N -1 0 322.365 -0.199 20 0 DBADRM NS(=O)(=O)c1ccc(CCN2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000738446959 599804220 /nfs/dbraw/zinc/80/42/20/599804220.db2.gz VJKRGOQVDHOJMI-GFCCVEGCSA-N -1 0 314.363 -0.338 20 0 DBADRM CCOC(=O)N1CCN(C(=O)Cn2cnc(C(=O)[O-])n2)CC1 ZINC000737146069 599823751 /nfs/dbraw/zinc/82/37/51/599823751.db2.gz LTMWNRVFFVPQAA-UHFFFAOYSA-N -1 0 311.298 -0.723 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000736363660 599842451 /nfs/dbraw/zinc/84/24/51/599842451.db2.gz PDCFBBSZPOFLCI-SNVBAGLBSA-N -1 0 321.399 -0.228 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCCN(CC(N)=O)CC1 ZINC000736361897 599849168 /nfs/dbraw/zinc/84/91/68/599849168.db2.gz JQWWCXXKZWJKSO-LLVKDONJSA-N -1 0 300.359 -0.702 20 0 DBADRM NS(=O)(=O)c1ccc(NS(=O)(=O)CCC(=O)[O-])cc1 ZINC000021794512 599855447 /nfs/dbraw/zinc/85/54/47/599855447.db2.gz GEDGGXIYSYNZJP-UHFFFAOYSA-N -1 0 308.337 -0.450 20 0 DBADRM COc1ccc([C@@H](NCC(=O)N2CCNC2=O)C(=O)[O-])cc1 ZINC000737973582 599859732 /nfs/dbraw/zinc/85/97/32/599859732.db2.gz QUXHYYZLGHAYKJ-GFCCVEGCSA-N -1 0 307.306 -0.038 20 0 DBADRM NS(=O)(=O)c1cccc(NS(=O)(=O)CCC(=O)[O-])c1 ZINC000022151663 599866848 /nfs/dbraw/zinc/86/68/48/599866848.db2.gz MSUNFRQTLUVAJU-UHFFFAOYSA-N -1 0 308.337 -0.450 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737539268 599877195 /nfs/dbraw/zinc/87/71/95/599877195.db2.gz BPQBUYUDVJCYRP-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM CN1CC(=O)N(CCCC(=O)NCCSCC(=O)[O-])C1=O ZINC000389457462 599891673 /nfs/dbraw/zinc/89/16/73/599891673.db2.gz BMBJZYRYTATANR-UHFFFAOYSA-N -1 0 317.367 -0.405 20 0 DBADRM CN(CC(=O)NCCSCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737395163 599904034 /nfs/dbraw/zinc/90/40/34/599904034.db2.gz UXXKJKRUAQIOIS-VIFPVBQESA-N -1 0 324.424 -0.961 20 0 DBADRM COc1ccc(NC(=O)C(=O)NCCSCC(=O)[O-])cn1 ZINC000738027190 599909845 /nfs/dbraw/zinc/90/98/45/599909845.db2.gz WNNMHDYMARCNJW-UHFFFAOYSA-N -1 0 313.335 -0.037 20 0 DBADRM COc1ccncc1NC(=O)C(=O)NCCSCC(=O)[O-] ZINC000738143551 599909877 /nfs/dbraw/zinc/90/98/77/599909877.db2.gz QDBFTYCWLDFFSU-UHFFFAOYSA-N -1 0 313.335 -0.037 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC(N(C)c2cccnn2)CC1 ZINC000736208400 599914484 /nfs/dbraw/zinc/91/44/84/599914484.db2.gz NIVCICGHOFATPC-NSHDSACASA-N -1 0 321.381 -0.034 20 0 DBADRM Cc1ccc(N2CCCN(CC(=O)NCCC(=O)[O-])CC2)nn1 ZINC000738614278 599915285 /nfs/dbraw/zinc/91/52/85/599915285.db2.gz IGTSDABWDYBKHA-UHFFFAOYSA-N -1 0 321.381 -0.112 20 0 DBADRM NC(=O)CCNC(=O)c1ccccc1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000739158223 599917714 /nfs/dbraw/zinc/91/77/14/599917714.db2.gz VZEIODFQXSVQRV-VHSXEESVSA-N -1 0 319.317 -0.049 20 0 DBADRM COCCS(=O)(=O)CC(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000737825439 599918183 /nfs/dbraw/zinc/91/81/83/599918183.db2.gz KLBKQUWPVQGTNT-VIFPVBQESA-N -1 0 307.368 -0.241 20 0 DBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000739158394 599919510 /nfs/dbraw/zinc/91/95/10/599919510.db2.gz ZQVSLUPRKWYXKQ-WDEREUQCSA-N -1 0 319.317 -0.049 20 0 DBADRM Cc1cc(C)n(C[C@@H]2CN([C@H](C)C(=O)NCC(=O)[O-])CCO2)n1 ZINC000738371399 599919703 /nfs/dbraw/zinc/91/97/03/599919703.db2.gz XAIILTNUQCPKNS-OLZOCXBDSA-N -1 0 324.381 -0.210 20 0 DBADRM Cc1cc(C)n(C[C@H]2CN([C@H](C)C(=O)NCC(=O)[O-])CCO2)n1 ZINC000738371395 599919793 /nfs/dbraw/zinc/91/97/93/599919793.db2.gz XAIILTNUQCPKNS-CHWSQXEVSA-N -1 0 324.381 -0.210 20 0 DBADRM NS(=O)(=O)c1ccc(N2CCCNC(=O)C2)c(C(=O)[O-])c1 ZINC000087886221 599935687 /nfs/dbraw/zinc/93/56/87/599935687.db2.gz MEQJHVDRVNPMFR-UHFFFAOYSA-N -1 0 313.335 -0.642 20 0 DBADRM CN(CC(=O)N1CCO[C@H](C(=O)[O-])C1)c1ncnc2nc[nH]c21 ZINC000737389504 599941164 /nfs/dbraw/zinc/94/11/64/599941164.db2.gz OEKGOLFGALUCQP-QMMMGPOBSA-N -1 0 320.309 -0.899 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)N1CCO[C@H](C(=O)[O-])C1)c2=O ZINC000262966111 599941710 /nfs/dbraw/zinc/94/17/10/599941710.db2.gz KWHJGWWFOVEAKC-NSHDSACASA-N -1 0 317.301 -0.071 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2-n2cnnn2)CCO1 ZINC000262938297 599942676 /nfs/dbraw/zinc/94/26/76/599942676.db2.gz HHJGPSBTLDRMPN-NSHDSACASA-N -1 0 303.278 -0.412 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N3CCO[C@H](C(=O)[O-])C3)nc2n1 ZINC000314887077 599944369 /nfs/dbraw/zinc/94/43/69/599944369.db2.gz ZXDDGRNZMHNXBH-VIFPVBQESA-N -1 0 305.294 -0.333 20 0 DBADRM NC(=O)COc1ccccc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262952428 599944704 /nfs/dbraw/zinc/94/47/04/599944704.db2.gz IYHUNWYEJWIIOR-LLVKDONJSA-N -1 0 308.290 -0.524 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cs1 ZINC000738445176 599945208 /nfs/dbraw/zinc/94/52/08/599945208.db2.gz OMVXKIZNTKDCNT-SSDOTTSWSA-N -1 0 320.348 -0.679 20 0 DBADRM O=C([O-])c1cccc(NC(=O)Cn2ccc(=O)[nH]c2=O)c1O ZINC000317747274 599945332 /nfs/dbraw/zinc/94/53/32/599945332.db2.gz OSKCVQLZKTUHKP-UHFFFAOYSA-N -1 0 305.246 -0.009 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)Cn1cnnn1)Cc1cccc(F)c1 ZINC000362565089 599947835 /nfs/dbraw/zinc/94/78/35/599947835.db2.gz QUKNAYSBVAIQRW-SNVBAGLBSA-N -1 0 307.285 -0.128 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)N[C@H](CC(C)C)C1=O ZINC000737615771 599953365 /nfs/dbraw/zinc/95/33/65/599953365.db2.gz QLVGEPPSTZAJQQ-SECBINFHSA-N -1 0 315.326 -0.530 20 0 DBADRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)N2CCCNC(=O)C2)c1 ZINC000740306228 599953777 /nfs/dbraw/zinc/95/37/77/599953777.db2.gz SZGHHBQMMXBMDF-UHFFFAOYSA-N -1 0 323.280 -0.189 20 0 DBADRM Cn1ccnc1CN1CCN(Cn2cnc(C(=O)[O-])n2)CC1 ZINC000739056496 599955095 /nfs/dbraw/zinc/95/50/95/599955095.db2.gz SEGNAJFMUUTDHX-UHFFFAOYSA-N -1 0 305.342 -0.515 20 0 DBADRM COc1ccc2c(c1)N(CN1CCO[C@@H](C(=O)[O-])C1)C(=O)C2=O ZINC000738079577 599956778 /nfs/dbraw/zinc/95/67/78/599956778.db2.gz GFBMJUADHOPRMH-GFCCVEGCSA-N -1 0 320.301 -0.033 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000032077301 599959211 /nfs/dbraw/zinc/95/92/11/599959211.db2.gz IFUDSERSHOIPLT-HOSYDEDBSA-N -1 0 320.411 -0.279 20 0 DBADRM O=C(CN1CCO[C@H](C(=O)[O-])C1)NC[C@@H]1Cc2ccccc2O1 ZINC000738463945 599967581 /nfs/dbraw/zinc/96/75/81/599967581.db2.gz BZESDYUNVBWIFN-JSGCOSHPSA-N -1 0 320.345 -0.108 20 0 DBADRM Cc1cc(NC[C@H]2CN(C)CCO2)n2nc(C(=O)[O-])nc2n1 ZINC000738460932 599967908 /nfs/dbraw/zinc/96/79/08/599967908.db2.gz SASDVAOYFXVYCW-VIFPVBQESA-N -1 0 306.326 -0.127 20 0 DBADRM C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000736541060 599968024 /nfs/dbraw/zinc/96/80/24/599968024.db2.gz OYYINXRJCZCZMH-JQWIXIFHSA-N -1 0 322.365 0.000 20 0 DBADRM NC(=O)c1ccc(NC(=O)CCN2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000738442982 599971656 /nfs/dbraw/zinc/97/16/56/599971656.db2.gz NLOJBXFFNPWPSS-GFCCVEGCSA-N -1 0 321.333 -0.101 20 0 DBADRM CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](C(=O)[O-])C1 ZINC000736440671 599971755 /nfs/dbraw/zinc/97/17/55/599971755.db2.gz UMZIUCBRNMZCMS-ZJUUUORDSA-N -1 0 301.343 -0.358 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000739554988 599973771 /nfs/dbraw/zinc/97/37/71/599973771.db2.gz WYXCJCNINFWRKY-WDEREUQCSA-N -1 0 308.338 -0.126 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])CCO1 ZINC000737586838 599975247 /nfs/dbraw/zinc/97/52/47/599975247.db2.gz JRXFEXPQBSCROD-GHMZBOCLSA-N -1 0 316.354 -0.524 20 0 DBADRM CCOC(=O)CCCNC(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000043703527 599975315 /nfs/dbraw/zinc/97/53/15/599975315.db2.gz HIOSAOHUIYLFJR-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM O=C(CN1CCO[C@H](C(=O)[O-])C1)NCc1ccc2c(c1)OCO2 ZINC000738464268 599976912 /nfs/dbraw/zinc/97/69/12/599976912.db2.gz IPOSNKZZDMQUTR-ZDUSSCGKSA-N -1 0 322.317 -0.183 20 0 DBADRM COC(=O)C1CCN(C(=O)CN2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000737586465 599977732 /nfs/dbraw/zinc/97/77/32/599977732.db2.gz YYLPYSLHNMTLML-NSHDSACASA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])[C@H]1CN(CC(=O)N2CC(=O)Nc3ccccc32)CCO1 ZINC000738719745 599977813 /nfs/dbraw/zinc/97/78/13/599977813.db2.gz JZLCBVNZZYYVOV-GFCCVEGCSA-N -1 0 319.317 -0.243 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC000737586611 599977913 /nfs/dbraw/zinc/97/79/13/599977913.db2.gz BUQHFFRIGUELOS-LLVKDONJSA-N -1 0 314.338 -0.817 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)C1(C(=O)NC)CC1)C(=O)[O-] ZINC000736874558 599990415 /nfs/dbraw/zinc/99/04/15/599990415.db2.gz ALGCNNLPGDRUQX-PSASIEDQSA-N -1 0 314.338 -0.329 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)C1(C(=O)NC)CC1)C(=O)[O-] ZINC000736874568 599990577 /nfs/dbraw/zinc/99/05/77/599990577.db2.gz ALGCNNLPGDRUQX-WCBMZHEXSA-N -1 0 314.338 -0.329 20 0 DBADRM CNC(=O)C1(C(=O)OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000737535442 599990909 /nfs/dbraw/zinc/99/09/09/599990909.db2.gz PNCMVYZYJZZCEF-VIFPVBQESA-N -1 0 314.338 -0.329 20 0 DBADRM C[C@H](OC(=O)CN1Cc2ccccc2C1=O)C(=O)NCC(=O)[O-] ZINC000736691415 599991315 /nfs/dbraw/zinc/99/13/15/599991315.db2.gz FUHCOKAAGNPJCI-VIFPVBQESA-N -1 0 320.301 -0.225 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000737161732 600002493 /nfs/dbraw/zinc/00/24/93/600002493.db2.gz JRVAHIVWIIVANY-GRYCIOLGSA-N -1 0 300.355 -0.751 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000737161734 600002717 /nfs/dbraw/zinc/00/27/17/600002717.db2.gz JRVAHIVWIIVANY-IJLUTSLNSA-N -1 0 300.355 -0.751 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Nc2ccc(-n3cnnn3)cc2)CCO1 ZINC000738548963 600006640 /nfs/dbraw/zinc/00/66/40/600006640.db2.gz RQUQHAHPAAWQKX-LLVKDONJSA-N -1 0 318.293 -0.020 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(CNC(N)=O)cc1 ZINC000737608739 600008306 /nfs/dbraw/zinc/00/83/06/600008306.db2.gz LBNCIPHWVSNVSR-UHFFFAOYSA-N -1 0 323.305 -0.445 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)OC[C@H]1CCCO1 ZINC000737604967 600009499 /nfs/dbraw/zinc/00/94/99/600009499.db2.gz MASMCWGFZCVUAC-NXEZZACHSA-N -1 0 303.311 -0.343 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000737603782 600009694 /nfs/dbraw/zinc/00/96/94/600009694.db2.gz HLQTYIDCDDWZDQ-SNVBAGLBSA-N -1 0 314.338 -0.423 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC000737603776 600009705 /nfs/dbraw/zinc/00/97/05/600009705.db2.gz HLQTYIDCDDWZDQ-JTQLQIEISA-N -1 0 314.338 -0.423 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(-n2ccnc2)nc1 ZINC000737608783 600009857 /nfs/dbraw/zinc/00/98/57/600009857.db2.gz MRSQYWFESZBYMK-UHFFFAOYSA-N -1 0 318.289 -0.033 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(-n2cncn2)nc1 ZINC000737609428 600010022 /nfs/dbraw/zinc/01/00/22/600010022.db2.gz ZFRMSVVVOQFRQS-UHFFFAOYSA-N -1 0 319.277 -0.638 20 0 DBADRM CS(=O)(=O)NCCNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000040578757 600014644 /nfs/dbraw/zinc/01/46/44/600014644.db2.gz DNRZECBIQIVSNA-UHFFFAOYSA-N -1 0 307.372 -0.522 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000036974642 600016028 /nfs/dbraw/zinc/01/60/28/600016028.db2.gz QETZLTNLUNRZCB-LLVKDONJSA-N -1 0 318.395 -0.019 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000262374496 600023587 /nfs/dbraw/zinc/02/35/87/600023587.db2.gz MTUJIUGDBZMLHV-UHFFFAOYSA-N -1 0 318.355 -0.978 20 0 DBADRM Cn1cccc1C(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000739044160 600032615 /nfs/dbraw/zinc/03/26/15/600032615.db2.gz ZHGOUKRZXIGDJW-UHFFFAOYSA-N -1 0 315.289 -0.101 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000737384584 600037654 /nfs/dbraw/zinc/03/76/54/600037654.db2.gz GNAGYRYRNDCADN-WDEREUQCSA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@@H]1CN(CCNC(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC000736805947 600040367 /nfs/dbraw/zinc/04/03/67/600040367.db2.gz AJQDQPALLNRIGI-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000122649119 600040378 /nfs/dbraw/zinc/04/03/78/600040378.db2.gz RNSHVIWHEFKTBG-SECBINFHSA-N -1 0 301.343 -0.214 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000737632859 600040411 /nfs/dbraw/zinc/04/04/11/600040411.db2.gz JVYVOOQJMGJIPZ-VHSXEESVSA-N -1 0 315.326 -0.288 20 0 DBADRM COc1ncccc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738146950 600054060 /nfs/dbraw/zinc/05/40/60/600054060.db2.gz XJNJHWMFTWOHLK-VIFPVBQESA-N -1 0 309.278 -0.659 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736147204 600071117 /nfs/dbraw/zinc/07/11/17/600071117.db2.gz FNBFXJCIBRQQOU-UHFFFAOYSA-N -1 0 319.317 -0.521 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CCCCO1 ZINC000737617210 600083555 /nfs/dbraw/zinc/08/35/55/600083555.db2.gz BEZFJPCWLWZIHA-VIFPVBQESA-N -1 0 309.340 -0.555 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)C[C@@H]1CCCCO1 ZINC000739636845 600081707 /nfs/dbraw/zinc/08/17/07/600081707.db2.gz RDFXXCTVYKRSBT-VHSXEESVSA-N -1 0 320.367 -0.840 20 0 DBADRM NC(=O)C1(C(=O)OCC(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC000739149587 600088665 /nfs/dbraw/zinc/08/86/65/600088665.db2.gz TYTYBWCORKNBNO-UHFFFAOYSA-N -1 0 312.322 -0.301 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@H](C(=O)[O-])C1)NS(C)(=O)=O ZINC000111774545 600097814 /nfs/dbraw/zinc/09/78/14/600097814.db2.gz XVMDERVOTXPXQE-QMMMGPOBSA-N -1 0 307.372 -0.570 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000739544509 600106020 /nfs/dbraw/zinc/10/60/20/600106020.db2.gz IZLMIAFJTBZLJH-RYUDHWBXSA-N -1 0 309.366 -0.526 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000736840429 600106252 /nfs/dbraw/zinc/10/62/52/600106252.db2.gz YMDXBNCUPSBLMH-JGVFFNPUSA-N -1 0 318.351 -0.570 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000037834996 600110603 /nfs/dbraw/zinc/11/06/03/600110603.db2.gz DYELFWJISADYLJ-ZJUUUORDSA-N -1 0 304.368 -0.363 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)C1(O)CCOCC1)C(=O)[O-] ZINC000736888982 600119422 /nfs/dbraw/zinc/11/94/22/600119422.db2.gz VUTDUODTQLNTFT-ONGXEEELSA-N -1 0 317.338 -0.313 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)C1(O)CCOCC1)C(=O)[O-] ZINC000736888979 600119451 /nfs/dbraw/zinc/11/94/51/600119451.db2.gz VUTDUODTQLNTFT-KOLCDFICSA-N -1 0 317.338 -0.313 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NC(=O)Nc1ccccc1 ZINC000739294181 600139231 /nfs/dbraw/zinc/13/92/31/600139231.db2.gz AEXMLSIOAMDGEE-MNOVXSKESA-N -1 0 307.306 -0.146 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)OC)cn1 ZINC000737302848 600147487 /nfs/dbraw/zinc/14/74/87/600147487.db2.gz IVIYBWMBNDGBIY-QMMMGPOBSA-N -1 0 305.312 -0.802 20 0 DBADRM NC(=O)[C@@H]1Cc2ccccc2CN1CCC(=O)NCC(=O)[O-] ZINC000739171756 600158174 /nfs/dbraw/zinc/15/81/74/600158174.db2.gz ZQYFENKVYQLPML-LBPRGKRZSA-N -1 0 305.334 -0.511 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCN(C(=O)c2ccco2)CC1 ZINC000739807655 600160236 /nfs/dbraw/zinc/16/02/36/600160236.db2.gz UHXOJNSFIMNLTL-UHFFFAOYSA-N -1 0 309.322 -0.372 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)CN2CC(=O)NC2=O)cc1 ZINC000739274417 600166140 /nfs/dbraw/zinc/16/61/40/600166140.db2.gz RDMZYUSQVXDLIR-UHFFFAOYSA-N -1 0 305.290 -0.405 20 0 DBADRM C[C@H](OC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000736684245 600170125 /nfs/dbraw/zinc/17/01/25/600170125.db2.gz KXIBFCTVJQKXEQ-QCLAVDOMSA-N -1 0 312.322 -0.637 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)Sc1nncn1C ZINC000737603523 600170682 /nfs/dbraw/zinc/17/06/82/600170682.db2.gz DWLKXXXUADFCOO-SSDOTTSWSA-N -1 0 316.339 -0.618 20 0 DBADRM O=C(COC(=O)[C@@H]1C[C@H]1C(=O)[O-])NCCCN1CCCC1=O ZINC000739320192 600173429 /nfs/dbraw/zinc/17/34/29/600173429.db2.gz MGJQGAOIGGLVSZ-NXEZZACHSA-N -1 0 312.322 -0.621 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(OC)cc1 ZINC000737606111 600175520 /nfs/dbraw/zinc/17/55/20/600175520.db2.gz UWGFCDREUOHPNT-UHFFFAOYSA-N -1 0 324.289 -0.280 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000737748342 600175756 /nfs/dbraw/zinc/17/57/56/600175756.db2.gz NERBDBBRLXECAE-BIIVOSGPSA-N -1 0 302.283 -0.889 20 0 DBADRM C[C@H](OC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)N1CCC(C(N)=O)CC1 ZINC000736684002 600177419 /nfs/dbraw/zinc/17/74/19/600177419.db2.gz KCKZBANPTZJNOU-FXBDTBDDSA-N -1 0 312.322 -0.637 20 0 DBADRM CC(C)CN1C[C@H](C(=O)Nc2n[nH]c(CC(=O)[O-])n2)CC1=O ZINC000736432358 600178806 /nfs/dbraw/zinc/17/88/06/600178806.db2.gz JJBGWFANKXUVKB-MRVPVSSYSA-N -1 0 309.326 -0.125 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)c2ccccc2-n2cnnn2)n[nH]1 ZINC000739911160 600182363 /nfs/dbraw/zinc/18/23/63/600182363.db2.gz XSDWXUYHWIIMDL-UHFFFAOYSA-N -1 0 314.265 -0.340 20 0 DBADRM CCN1C[C@H](C(=O)OCc2noc(CCC(=O)[O-])n2)CC1=O ZINC000737110887 600188436 /nfs/dbraw/zinc/18/84/36/600188436.db2.gz FXSJLNDPXSVYAR-MRVPVSSYSA-N -1 0 311.294 -0.002 20 0 DBADRM CN1C[C@@H](C(=O)OCc2noc(CCCC(=O)[O-])n2)CC1=O ZINC000737507734 600188444 /nfs/dbraw/zinc/18/84/44/600188444.db2.gz AUTOGBFJTKIBNV-QMMMGPOBSA-N -1 0 311.294 -0.002 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCOC[C@H]2CCCO2)CCO1 ZINC000738546897 600190294 /nfs/dbraw/zinc/19/02/94/600190294.db2.gz SPXIJKRCWXLZOE-MNOVXSKESA-N -1 0 302.327 -0.323 20 0 DBADRM CN(CCCC(=O)OCCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000737435389 600192454 /nfs/dbraw/zinc/19/24/54/600192454.db2.gz WZJHIWIKQKASMB-UHFFFAOYSA-N -1 0 301.299 -0.139 20 0 DBADRM C[C@H](CC(=O)[O-])S(=O)(=O)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000736548438 600193827 /nfs/dbraw/zinc/19/38/27/600193827.db2.gz BWDKMLZBVUZSDB-BBBLOLIVSA-N -1 0 307.368 -0.052 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)COc1ccccc1C=O ZINC000737606358 600198108 /nfs/dbraw/zinc/19/81/08/600198108.db2.gz YLDMEAPWKCSKRO-UHFFFAOYSA-N -1 0 309.274 -0.036 20 0 DBADRM C[C@@H](OC(=O)CCCNC(=O)[O-])C(=O)NC(=O)NC1CC1 ZINC000736691591 600198719 /nfs/dbraw/zinc/19/87/19/600198719.db2.gz WJQBLCOAUFMVSV-SSDOTTSWSA-N -1 0 301.299 -0.046 20 0 DBADRM C[C@](NC(=O)C1CCN(S(N)(=O)=O)CC1)(C(=O)[O-])C1CC1 ZINC000736632739 600199235 /nfs/dbraw/zinc/19/92/35/600199235.db2.gz ZTJHHTHFRHUJLB-GFCCVEGCSA-N -1 0 319.383 -0.729 20 0 DBADRM NC(=O)CNC(=O)c1cccc(OC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000739162601 600203667 /nfs/dbraw/zinc/20/36/67/600203667.db2.gz CMBONAAEYFYWBL-VHSXEESVSA-N -1 0 306.274 -0.472 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)Cc1cc(=O)c(O)co1 ZINC000739789503 600209227 /nfs/dbraw/zinc/20/92/27/600209227.db2.gz APENEBBKEPJWCI-UHFFFAOYSA-N -1 0 312.322 -0.436 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C ZINC000736639473 600210837 /nfs/dbraw/zinc/21/08/37/600210837.db2.gz SLFSIOJXXMCWAR-WCBMZHEXSA-N -1 0 317.342 -0.585 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)OCc2occc2C(=O)[O-])C1=O ZINC000737507312 600215626 /nfs/dbraw/zinc/21/56/26/600215626.db2.gz KDTWQZLPVUWABZ-UHFFFAOYSA-N -1 0 310.218 -0.558 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)N(C)CC(=O)[O-] ZINC000736746332 600218219 /nfs/dbraw/zinc/21/82/19/600218219.db2.gz JKADYBPQLNZLHN-ZJUUUORDSA-N -1 0 306.384 -0.573 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000737642843 600230927 /nfs/dbraw/zinc/23/09/27/600230927.db2.gz QFBUYXLHRIPXNZ-VWYCJHECSA-N -1 0 316.354 -0.790 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc1C(N)=O ZINC000037463691 600239406 /nfs/dbraw/zinc/23/94/06/600239406.db2.gz BQWBYJBGDBSDMR-GFCCVEGCSA-N -1 0 315.351 -0.344 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc(-n2ccnc2)nn1)C(=O)[O-] ZINC000737591236 600245236 /nfs/dbraw/zinc/24/52/36/600245236.db2.gz LGZCVOPUMFGUAR-VIFPVBQESA-N -1 0 319.277 -0.592 20 0 DBADRM Cn1cc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])c(=O)n(C)c1=O ZINC000739024506 600250722 /nfs/dbraw/zinc/25/07/22/600250722.db2.gz BSHMJSCHVBNFJD-SECBINFHSA-N -1 0 309.322 -0.447 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCSCCC(=O)[O-] ZINC000738157966 600253527 /nfs/dbraw/zinc/25/35/27/600253527.db2.gz NKCFCUINFSSZEO-SECBINFHSA-N -1 0 324.424 -0.266 20 0 DBADRM Cn1cc(C(=O)NCCSCCC(=O)[O-])c(=O)[nH]c1=O ZINC000739023645 600254911 /nfs/dbraw/zinc/25/49/11/600254911.db2.gz WONWBXLFYSDPLP-UHFFFAOYSA-N -1 0 301.324 -0.576 20 0 DBADRM Cc1cc(NC(=O)c2cn(CC(=O)N(C)C)nn2)c(C(=O)[O-])[nH]1 ZINC000738453614 600256999 /nfs/dbraw/zinc/25/69/99/600256999.db2.gz QEVOWNVRIOXDRT-UHFFFAOYSA-N -1 0 320.309 -0.047 20 0 DBADRM Cn1cc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000739027602 600258455 /nfs/dbraw/zinc/25/84/55/600258455.db2.gz UVRBGEUBKGPBMY-JTQLQIEISA-N -1 0 321.333 -0.589 20 0 DBADRM CCc1nc(CN2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)no1 ZINC000737278524 600260856 /nfs/dbraw/zinc/26/08/56/600260856.db2.gz BOAUHZIXERGBJT-VHSXEESVSA-N -1 0 308.338 -0.003 20 0 DBADRM CCO[C@@H](C)c1noc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC000737156352 600260938 /nfs/dbraw/zinc/26/09/38/600260938.db2.gz DLAKLMMBPVEJII-IUCAKERBSA-N -1 0 312.326 -0.058 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CCn1cccn1 ZINC000739784478 600262816 /nfs/dbraw/zinc/26/28/16/600262816.db2.gz DRNYQVVKJKCNGS-UHFFFAOYSA-N -1 0 310.354 -0.481 20 0 DBADRM C[S@](=O)CCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000169119777 600263655 /nfs/dbraw/zinc/26/36/55/600263655.db2.gz PTPZMPARFVHHIE-LJQANCHMSA-N -1 0 321.376 -0.193 20 0 DBADRM CCOC(=O)CC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737136682 600264759 /nfs/dbraw/zinc/26/47/59/600264759.db2.gz OMOSXMACPLESAJ-UHFFFAOYSA-N -1 0 302.327 -0.815 20 0 DBADRM CCCC(=O)NCC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736950392 600264768 /nfs/dbraw/zinc/26/47/68/600264768.db2.gz AOHZHIHKOHUDHD-UHFFFAOYSA-N -1 0 315.370 -0.852 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(C(=O)CCn1cc[nH]c(=O)c1=O)CC2 ZINC000739527884 600266958 /nfs/dbraw/zinc/26/69/58/600266958.db2.gz WKJRSPJSUVHIAR-SNVBAGLBSA-N -1 0 321.333 -0.360 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cccc(-n2cccn2)n1 ZINC000739812279 600272474 /nfs/dbraw/zinc/27/24/74/600272474.db2.gz CKHFDQOVSQCYJO-UHFFFAOYSA-N -1 0 304.262 -0.375 20 0 DBADRM Cn1cc(C(=O)Oc2cccc(CC(=O)[O-])c2)c(=O)n(C)c1=O ZINC000739027759 600273165 /nfs/dbraw/zinc/27/31/65/600273165.db2.gz QTCJJQASHLFVBR-UHFFFAOYSA-N -1 0 318.285 -0.070 20 0 DBADRM CN1CC(=O)N(CC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C1=O ZINC000405312843 600276707 /nfs/dbraw/zinc/27/67/07/600276707.db2.gz GPZHDIYYEKOOGC-VIFPVBQESA-N -1 0 309.322 -0.406 20 0 DBADRM CNC(=O)CCNC(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC000737536444 600290970 /nfs/dbraw/zinc/29/09/70/600290970.db2.gz MJBNJVZOODYSMM-UHFFFAOYSA-N -1 0 301.328 -0.187 20 0 DBADRM NC(=O)CN1CCN(Cc2noc(CCCC(=O)[O-])n2)CC1 ZINC000739163382 600294265 /nfs/dbraw/zinc/29/42/65/600294265.db2.gz QBERXRVQNXVHIB-UHFFFAOYSA-N -1 0 311.342 -0.920 20 0 DBADRM Cc1cc(C)n(C[C@H]2CN(CCC(=O)NCC(=O)[O-])CCO2)n1 ZINC000738369260 600302210 /nfs/dbraw/zinc/30/22/10/600302210.db2.gz NBABCVNPJGTKMS-CYBMUJFWSA-N -1 0 324.381 -0.208 20 0 DBADRM COc1ccccc1CCNC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000738132864 600310263 /nfs/dbraw/zinc/31/02/63/600310263.db2.gz FYJRNCQJHPKPCK-OLZOCXBDSA-N -1 0 322.361 -0.126 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000739294566 600313234 /nfs/dbraw/zinc/31/32/34/600313234.db2.gz XLLWZKWYNOPPFU-AGIUHOORSA-N -1 0 320.345 -0.374 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1=O ZINC000737301306 600320214 /nfs/dbraw/zinc/32/02/14/600320214.db2.gz RFFFOXIWMOYDRM-SNVBAGLBSA-N -1 0 323.305 -0.881 20 0 DBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1 ZINC000738387118 600332314 /nfs/dbraw/zinc/33/23/14/600332314.db2.gz SSNFRIVELPRQES-UHFFFAOYSA-N -1 0 318.293 -0.500 20 0 DBADRM Cc1nn(C)c2ncc(NC(=O)C(=O)NCCC(=O)[O-])cc12 ZINC000738377770 600334064 /nfs/dbraw/zinc/33/40/64/600334064.db2.gz WDARVMSXDPNXOG-UHFFFAOYSA-N -1 0 305.294 -0.194 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000738588413 600334098 /nfs/dbraw/zinc/33/40/98/600334098.db2.gz PICBJFCXRGCHFN-UHFFFAOYSA-N -1 0 307.262 -0.453 20 0 DBADRM CNC(=O)COc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000737539814 600334116 /nfs/dbraw/zinc/33/41/16/600334116.db2.gz FXUDRNUSCABTRR-UHFFFAOYSA-N -1 0 323.305 -0.659 20 0 DBADRM C[C@@H]1Oc2ccc(NC(=O)C(=O)NCCC(=O)[O-])cc2NC1=O ZINC000736833477 600334199 /nfs/dbraw/zinc/33/41/99/600334199.db2.gz DZOBOUSNOAOZKM-ZETCQYMHSA-N -1 0 321.289 -0.065 20 0 DBADRM C[C@H]1Oc2ccc(NC(=O)C(=O)NCCC(=O)[O-])cc2NC1=O ZINC000736833475 600334272 /nfs/dbraw/zinc/33/42/72/600334272.db2.gz DZOBOUSNOAOZKM-SSDOTTSWSA-N -1 0 321.289 -0.065 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCCS(=O)(=O)CC1)C(=O)[O-] ZINC000736410401 600334705 /nfs/dbraw/zinc/33/47/05/600334705.db2.gz CCSMNZUVSFUSGL-NSHDSACASA-N -1 0 320.411 -0.278 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000738588712 600334901 /nfs/dbraw/zinc/33/49/01/600334901.db2.gz PJTFXBPZGBNRMZ-UHFFFAOYSA-N -1 0 303.278 -0.203 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000738587757 600335126 /nfs/dbraw/zinc/33/51/26/600335126.db2.gz FYHRHMZEOBOTMU-UHFFFAOYSA-N -1 0 307.262 -0.453 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000739674420 600337321 /nfs/dbraw/zinc/33/73/21/600337321.db2.gz MKTOZGLHWHKMJN-UHFFFAOYSA-N -1 0 318.293 -0.418 20 0 DBADRM CCCN(CC(=O)NC)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000070197642 600340703 /nfs/dbraw/zinc/34/07/03/600340703.db2.gz WXZFKNNXJJWFMA-UHFFFAOYSA-N -1 0 318.355 -0.437 20 0 DBADRM CCN(CCC(=O)[O-])S(=O)(=O)c1n[nH]c(C)c1C(=O)OC ZINC000737101004 600341309 /nfs/dbraw/zinc/34/13/09/600341309.db2.gz RPPSUDKCOYIPMZ-UHFFFAOYSA-N -1 0 319.339 -0.010 20 0 DBADRM O=C(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)OCC1CC1 ZINC000739308464 600342793 /nfs/dbraw/zinc/34/27/93/600342793.db2.gz KHBCXUPSFSMXMR-UHFFFAOYSA-N -1 0 320.367 -0.429 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000736588075 600344263 /nfs/dbraw/zinc/34/42/63/600344263.db2.gz KZOLEFRIPJWVQB-ZETCQYMHSA-N -1 0 305.290 -0.043 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC000736588068 600345604 /nfs/dbraw/zinc/34/56/04/600345604.db2.gz KTFNDTBKOBPJED-MRVPVSSYSA-N -1 0 323.305 -0.674 20 0 DBADRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)NCCn2cncn2)c1 ZINC000739431699 600348465 /nfs/dbraw/zinc/34/84/65/600348465.db2.gz COURERSGXVAJGG-UHFFFAOYSA-N -1 0 321.268 -0.130 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000738180463 600348672 /nfs/dbraw/zinc/34/86/72/600348672.db2.gz VJXZGXRTPWEQQJ-OAQYLSRUSA-N -1 0 316.310 -0.043 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)CN2CC(=O)NC2=O)c1 ZINC000738613031 600359581 /nfs/dbraw/zinc/35/95/81/600359581.db2.gz RLFRTOQGHYPYTE-UHFFFAOYSA-N -1 0 307.262 -0.360 20 0 DBADRM C[C@@H](CN(C)C(=O)CN(C)c1ncnc2nc[nH]c21)C(=O)[O-] ZINC000263170904 600360114 /nfs/dbraw/zinc/36/01/14/600360114.db2.gz JIKQYCALLBQNDK-QMMMGPOBSA-N -1 0 306.326 -0.032 20 0 DBADRM O=C([O-])C[C@@H]1NC(=O)N(CCCOC[C@@H]2CCCO2)C1=O ZINC000739656817 600362091 /nfs/dbraw/zinc/36/20/91/600362091.db2.gz RUDLAURRCSEWSL-UWVGGRQHSA-N -1 0 300.311 -0.033 20 0 DBADRM CCn1c(N)c(C(=O)CN(C)C[C@@H](C)C(=O)[O-])c(=O)[nH]c1=O ZINC000737295190 600366461 /nfs/dbraw/zinc/36/64/61/600366461.db2.gz FTTTXWTYKHVHMM-SSDOTTSWSA-N -1 0 312.326 -0.614 20 0 DBADRM COc1cccc([C@H](O)C(=O)OCC(=O)NCCC(=O)[O-])c1 ZINC000738089041 600367142 /nfs/dbraw/zinc/36/71/42/600367142.db2.gz BMIBXBIKAUFOMV-ZDUSSCGKSA-N -1 0 311.290 -0.137 20 0 DBADRM O=C([O-])c1cccn2cc(COC(=O)[C@H]3CNC(=O)N3)nc12 ZINC000740315919 600369564 /nfs/dbraw/zinc/36/95/64/600369564.db2.gz JARPYSAWQAKMIC-SECBINFHSA-N -1 0 304.262 -0.243 20 0 DBADRM O=C(COC(=O)[C@H]1CNC(=O)N1)NC1(C(=O)[O-])CCCCC1 ZINC000739321323 600369681 /nfs/dbraw/zinc/36/96/81/600369681.db2.gz PIFZFCIVLSABCO-MRVPVSSYSA-N -1 0 313.310 -0.885 20 0 DBADRM C[C@H](Oc1cccnc1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000736707967 600393410 /nfs/dbraw/zinc/39/34/10/600393410.db2.gz HHAZHQDMYSZRTK-ONGXEEELSA-N -1 0 307.306 -0.349 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)CCSCC(=O)[O-])CCO1 ZINC000736146835 600394949 /nfs/dbraw/zinc/39/49/49/600394949.db2.gz CBRAWROPIWJEKX-SNVBAGLBSA-N -1 0 304.368 -0.442 20 0 DBADRM COCCN(CC(=O)[O-])CC(=O)NC(=O)NCc1ccco1 ZINC000314789531 600395672 /nfs/dbraw/zinc/39/56/72/600395672.db2.gz CHLTWDVUERZBNZ-UHFFFAOYSA-N -1 0 313.310 -0.362 20 0 DBADRM CC(C)CS(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736449699 600414343 /nfs/dbraw/zinc/41/43/43/600414343.db2.gz UZBVTGPNWQLULX-UHFFFAOYSA-N -1 0 308.400 -0.309 20 0 DBADRM CCCN(CC(=O)[O-])Cn1cc(S(=O)(=O)N(C)C)cn1 ZINC000737014204 600418062 /nfs/dbraw/zinc/41/80/62/600418062.db2.gz CLSYMKSPCGCIAX-UHFFFAOYSA-N -1 0 304.372 -0.113 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000737514924 600418854 /nfs/dbraw/zinc/41/88/54/600418854.db2.gz DQWKEMLQERXMDC-UHFFFAOYSA-N -1 0 320.349 -0.326 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCNC(=O)[C@@H]1c1ccccc1 ZINC000739735268 600437076 /nfs/dbraw/zinc/43/70/76/600437076.db2.gz UFJSHGTZEXECSL-AWEZNQCLSA-N -1 0 305.334 -0.250 20 0 DBADRM CC(C)(CNC(=O)CN1CCC[C@@H]1C(=O)[O-])N1CCOCC1 ZINC000736320195 600437267 /nfs/dbraw/zinc/43/72/67/600437267.db2.gz LBXBSZRGDGYUKM-GFCCVEGCSA-N -1 0 313.398 -0.238 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)[C@@H]1CCN(C)C1=O ZINC000736200870 600437678 /nfs/dbraw/zinc/43/76/78/600437678.db2.gz RQEKDOROCDMESV-ZYHUDNBSSA-N -1 0 311.382 -0.139 20 0 DBADRM COCCN(CC(=O)[O-])CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000737778130 600447848 /nfs/dbraw/zinc/44/78/48/600447848.db2.gz XKVOFDVWQNDIGZ-GFCCVEGCSA-N -1 0 315.370 -0.854 20 0 DBADRM COCCN(CC(=O)[O-])CC(=O)N1CCC2(CC1)OCCO2 ZINC000737777526 600448033 /nfs/dbraw/zinc/44/80/33/600448033.db2.gz BQGLPBMQEVNMGY-UHFFFAOYSA-N -1 0 316.354 -0.615 20 0 DBADRM CN1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)C1=O ZINC000230225730 600452399 /nfs/dbraw/zinc/45/23/99/600452399.db2.gz PIMPQVQSQWPGIP-ZCFIWIBFSA-N -1 0 304.349 -0.045 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C[C@@H](O)COCc1ccccc1 ZINC000309578854 600454226 /nfs/dbraw/zinc/45/42/26/600454226.db2.gz RJJSINKNNPLOGN-ZIAGYGMSSA-N -1 0 322.361 -0.161 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccnc(C2CC2)n1 ZINC000739634342 600459787 /nfs/dbraw/zinc/45/97/87/600459787.db2.gz MLDGYHGBVAVDGA-SNVBAGLBSA-N -1 0 304.306 -0.231 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCCSCC(=O)[O-] ZINC000688549603 600465380 /nfs/dbraw/zinc/46/53/80/600465380.db2.gz ULOGVXMMZGACPR-QMMMGPOBSA-N -1 0 312.413 -0.121 20 0 DBADRM C[C@@H](OC(=O)c1ccnc(-n2cncn2)c1)C(=O)NCC(=O)[O-] ZINC000736698996 600465781 /nfs/dbraw/zinc/46/57/81/600465781.db2.gz ZCAKECDXORJQSE-MRVPVSSYSA-N -1 0 319.277 -0.592 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1ccnc(-n2cncn2)c1 ZINC000739733073 600466443 /nfs/dbraw/zinc/46/64/43/600466443.db2.gz GXZPGTQJBASBCK-UHFFFAOYSA-N -1 0 319.277 -0.590 20 0 DBADRM Cn1cc(-c2ncc(C(=O)OCC(=O)NCC(=O)[O-])s2)cn1 ZINC000739015498 600466656 /nfs/dbraw/zinc/46/66/56/600466656.db2.gz JHEALMRZXYQAJS-UHFFFAOYSA-N -1 0 324.318 -0.099 20 0 DBADRM CC(C)C[C@H](NC(=O)CN(C)[C@@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000736411405 600467169 /nfs/dbraw/zinc/46/71/69/600467169.db2.gz GQJSTJBJBKYAPB-QWRGUYRKSA-N -1 0 322.427 -0.033 20 0 DBADRM CC(C)C[C@@H](NC(=O)Cn1cnnc1[S@](C)=O)C(=O)[O-] ZINC000736414831 600475095 /nfs/dbraw/zinc/47/50/95/600475095.db2.gz JSDGATVPWCXZJK-SQFXPLBJSA-N -1 0 302.356 -0.369 20 0 DBADRM C[S@](=O)c1nncn1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000738180441 600476194 /nfs/dbraw/zinc/47/61/94/600476194.db2.gz VFUNPDWKOBWCLQ-NRFANRHFSA-N -1 0 314.367 -0.081 20 0 DBADRM CCCNC(=O)CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000737025586 600490758 /nfs/dbraw/zinc/49/07/58/600490758.db2.gz ZMPIUENELCBCHC-SNVBAGLBSA-N -1 0 313.354 -0.515 20 0 DBADRM CC(C)NC(=O)CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000736477038 600490776 /nfs/dbraw/zinc/49/07/76/600490776.db2.gz CFAVRFOIZQWIBZ-SNVBAGLBSA-N -1 0 313.354 -0.517 20 0 DBADRM CC(C)NC(=O)CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000736477036 600490783 /nfs/dbraw/zinc/49/07/83/600490783.db2.gz CFAVRFOIZQWIBZ-JTQLQIEISA-N -1 0 313.354 -0.517 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CCn2cc[nH]c(=O)c2=O)o1 ZINC000739267628 600497907 /nfs/dbraw/zinc/49/79/07/600497907.db2.gz IMIFAVVZQWJUBP-UHFFFAOYSA-N -1 0 307.262 -0.466 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000738584443 600501176 /nfs/dbraw/zinc/50/11/76/600501176.db2.gz GGQDCWFERRFRHX-SNVBAGLBSA-N -1 0 318.355 -0.827 20 0 DBADRM CN1CC[C@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1=O ZINC000737515592 600509974 /nfs/dbraw/zinc/50/99/74/600509974.db2.gz YNYVREYNOBKCKS-VIFPVBQESA-N -1 0 323.280 -0.191 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737392996 600510456 /nfs/dbraw/zinc/51/04/56/600510456.db2.gz IEEOCSSUYKTWSH-ZETCQYMHSA-N -1 0 311.260 -0.718 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c2=O ZINC000739058367 600521421 /nfs/dbraw/zinc/52/14/21/600521421.db2.gz AFKHYNLEZCANFR-JTQLQIEISA-N -1 0 321.337 -0.255 20 0 DBADRM NC(=O)NCc1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1 ZINC000739170913 600533324 /nfs/dbraw/zinc/53/33/24/600533324.db2.gz SUHROXCJPBXBAV-UHFFFAOYSA-N -1 0 318.293 -0.148 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)NCCN2C(=O)CNC2=O)o1 ZINC000739420773 600533642 /nfs/dbraw/zinc/53/36/42/600533642.db2.gz ZTQVPNMOEPXHEB-UHFFFAOYSA-N -1 0 310.266 -0.671 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)c2cccc(-n3cnnn3)c2)n[nH]1 ZINC000739911228 600534535 /nfs/dbraw/zinc/53/45/35/600534535.db2.gz YMOOWSIMLFBUHB-UHFFFAOYSA-N -1 0 314.265 -0.340 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)CNC(=O)NCc2ccco2)n[nH]1 ZINC000739901288 600535676 /nfs/dbraw/zinc/53/56/76/600535676.db2.gz POPVZXYPELIZRX-UHFFFAOYSA-N -1 0 322.281 -0.537 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)CCNC(=O)c2ccco2)n[nH]1 ZINC000739902499 600536948 /nfs/dbraw/zinc/53/69/48/600536948.db2.gz XCMMPCXUQYAJGE-UHFFFAOYSA-N -1 0 307.266 -0.217 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccnc(N2CCCC2)n1)C(=O)[O-] ZINC000737590411 600546993 /nfs/dbraw/zinc/54/69/93/600546993.db2.gz HJDVROPYQNPGPR-SNVBAGLBSA-N -1 0 322.321 -0.177 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)C[C@@H]1CCOC1 ZINC000739784353 600549404 /nfs/dbraw/zinc/54/94/04/600549404.db2.gz AWYKPDOGPCVAQX-LBPRGKRZSA-N -1 0 300.355 -0.342 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Oc2ccc(CC(=O)[O-])cc2)C1=O ZINC000737507177 600551236 /nfs/dbraw/zinc/55/12/36/600551236.db2.gz IBLXREOFMKSAKM-UHFFFAOYSA-N -1 0 320.257 -0.360 20 0 DBADRM Cc1nnc(CN2CCN(Cn3cc(C(=O)[O-])nn3)CC2)n1C ZINC000738931102 600559759 /nfs/dbraw/zinc/55/97/59/600559759.db2.gz DNEXDYWXEAAZRA-UHFFFAOYSA-N -1 0 320.357 -0.811 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000739735211 600575833 /nfs/dbraw/zinc/57/58/33/600575833.db2.gz RTSJGJRYNVTIPM-UHFFFAOYSA-N -1 0 321.259 -0.297 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000738126813 600578591 /nfs/dbraw/zinc/57/85/91/600578591.db2.gz LLONTFMATYJLOP-UHFFFAOYSA-N -1 0 313.397 -0.453 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)Cn1cnnn1)Cc1ccc(O)cc1 ZINC000739358093 600587355 /nfs/dbraw/zinc/58/73/55/600587355.db2.gz JGWIQNIUTWJOJP-SNVBAGLBSA-N -1 0 305.294 -0.562 20 0 DBADRM C[C@@H](CN(C)C(=O)COCC(=O)NCc1cccnc1)C(=O)[O-] ZINC000736568635 600592257 /nfs/dbraw/zinc/59/22/57/600592257.db2.gz GYIQDCGMRVJKKN-NSHDSACASA-N -1 0 323.349 -0.107 20 0 DBADRM Cn1cc([C@H]2[C@H](C(=O)NCCC(=O)[O-])CCC(=O)N2C)cn1 ZINC000737506444 600614098 /nfs/dbraw/zinc/61/40/98/600614098.db2.gz BOVILJJDCYAEEJ-MFKMUULPSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@](NC(=O)CN1CCS(=O)(=O)CC1)(C(=O)[O-])C1CC1 ZINC000736639830 600616918 /nfs/dbraw/zinc/61/69/18/600616918.db2.gz XIVZMJQNGISFIQ-GFCCVEGCSA-N -1 0 304.368 -0.914 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCS(=O)(=O)C[C@@H]1C)C(=O)[O-] ZINC000736412352 600622737 /nfs/dbraw/zinc/62/27/37/600622737.db2.gz MOFXTYGOKGQUMB-WDEREUQCSA-N -1 0 320.411 -0.279 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C[C@H](c2ccccn2)CC1=O ZINC000737616110 600637074 /nfs/dbraw/zinc/63/70/74/600637074.db2.gz SJJCATKLNSZJTA-LLVKDONJSA-N -1 0 321.333 -0.085 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(Cc2nccn2C)CC1 ZINC000736210680 600639620 /nfs/dbraw/zinc/63/96/20/600639620.db2.gz ZGLMJXOJQKPCBW-NSHDSACASA-N -1 0 309.370 -0.873 20 0 DBADRM COCCN(CCC(=O)[O-])Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000737794650 600641953 /nfs/dbraw/zinc/64/19/53/600641953.db2.gz QYBFTQMGBJJWSF-UHFFFAOYSA-N -1 0 309.326 -0.008 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)[C@H](C)C1CC1 ZINC000737573302 600647241 /nfs/dbraw/zinc/64/72/41/600647241.db2.gz IIWWWYATCBZKGV-VXNVDRBHSA-N -1 0 308.356 -0.433 20 0 DBADRM COC(=O)c1cc(NC(=O)NC(CO)CO)ccc1C(=O)[O-] ZINC000831289559 600656695 /nfs/dbraw/zinc/65/66/95/600656695.db2.gz JNSZYCDWXZYIJJ-UHFFFAOYSA-N -1 0 312.278 -0.354 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[nH]n2)cn1 ZINC000825805004 607461389 /nfs/dbraw/zinc/46/13/89/607461389.db2.gz NYZRUMFNPKXGCG-UHFFFAOYSA-N -1 0 309.315 -0.393 20 0 DBADRM COC(=O)N[C@@H](C(=O)O[C@H](C)C(=O)NCC(=O)[O-])C(C)C ZINC000831204333 600675853 /nfs/dbraw/zinc/67/58/53/600675853.db2.gz RAQLKPBUJREMNX-VXNVDRBHSA-N -1 0 304.299 -0.501 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1)C(N)=O ZINC000736155341 600680960 /nfs/dbraw/zinc/68/09/60/600680960.db2.gz BZKROPRYKURKPW-RYUDHWBXSA-N -1 0 321.333 -0.301 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@@H](C)O1 ZINC000035651598 600684142 /nfs/dbraw/zinc/68/41/42/600684142.db2.gz WMPMZDSSKNWSSS-RKDXNWHRSA-N -1 0 303.340 -0.234 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c[nH]1 ZINC000020560779 600685770 /nfs/dbraw/zinc/68/57/70/600685770.db2.gz LNNNOWFIVIJXSO-ZCFIWIBFSA-N -1 0 308.337 -0.822 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)c[nH]1 ZINC000021507905 600687250 /nfs/dbraw/zinc/68/72/50/600687250.db2.gz RRRDNVXJGDJVHU-UHFFFAOYSA-N -1 0 303.340 -0.677 20 0 DBADRM CN1CC(=O)N(CC(=O)N2CCSC[C@H]2CC(=O)[O-])C1=O ZINC000091129296 600697642 /nfs/dbraw/zinc/69/76/42/600697642.db2.gz ADZCSSUWUOKUNV-MRVPVSSYSA-N -1 0 315.351 -0.701 20 0 DBADRM COC[C@@](C)(O)C(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000831637757 600702124 /nfs/dbraw/zinc/70/21/24/600702124.db2.gz LIMNBXZMDSBVBV-YMTOWFKASA-N -1 0 317.338 -0.361 20 0 DBADRM CN1C(=O)C(=O)N(CN2CCSC[C@@H]2CC(=O)[O-])C1=O ZINC000737508102 600702339 /nfs/dbraw/zinc/70/23/39/600702339.db2.gz NLJOZSMMQKHDNS-ZETCQYMHSA-N -1 0 301.324 -0.743 20 0 DBADRM COC(=O)C[C@@H]1CSCCN1Cn1cnc(C(=O)[O-])n1 ZINC000737589391 600704515 /nfs/dbraw/zinc/70/45/15/600704515.db2.gz ATMBUZGSGHAZFT-MRVPVSSYSA-N -1 0 300.340 -0.086 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)NC(C)(C)C(=O)[O-])cn1 ZINC000831192515 600704861 /nfs/dbraw/zinc/70/48/61/600704861.db2.gz LOIKPAHMINYWGX-UHFFFAOYSA-N -1 0 305.312 -0.802 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)N1CCOCC1 ZINC000827501699 600705692 /nfs/dbraw/zinc/70/56/92/600705692.db2.gz AQIKMTHMBZSRIJ-VIFPVBQESA-N -1 0 317.367 -0.288 20 0 DBADRM NC(=O)CCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000036747173 600710433 /nfs/dbraw/zinc/71/04/33/600710433.db2.gz CYCYISGWDSSROR-UHFFFAOYSA-N -1 0 302.308 -0.696 20 0 DBADRM NC(=O)Cn1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)nn1 ZINC000833083103 600713070 /nfs/dbraw/zinc/71/30/70/600713070.db2.gz NPCABISHWUOCQM-LLVKDONJSA-N -1 0 322.252 -0.115 20 0 DBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000095017716 600716217 /nfs/dbraw/zinc/71/62/17/600716217.db2.gz XBLQNMSYXHHCQG-MRVPVSSYSA-N -1 0 317.323 -0.849 20 0 DBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000095017695 600716277 /nfs/dbraw/zinc/71/62/77/600716277.db2.gz KDLYKINQBUCUPU-SSDOTTSWSA-N -1 0 302.308 -0.104 20 0 DBADRM CN1CCN(CCCN2C(=O)CS/C2=C\C(=O)[O-])CC1=O ZINC000737529250 600716307 /nfs/dbraw/zinc/71/63/07/600716307.db2.gz VOQBJYMZJAGADV-GHXNOFRVSA-N -1 0 313.379 -0.348 20 0 DBADRM CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1=O ZINC000084199465 600723673 /nfs/dbraw/zinc/72/36/73/600723673.db2.gz ZJYATFAKFMTESG-UHFFFAOYSA-N -1 0 304.349 -0.091 20 0 DBADRM CCN(CC)C(=O)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000228791712 600724609 /nfs/dbraw/zinc/72/46/09/600724609.db2.gz GVZNFBKUKZYKII-UHFFFAOYSA-N -1 0 303.340 -0.140 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCCNC(=O)C2)cs1 ZINC000087885282 600734728 /nfs/dbraw/zinc/73/47/28/600734728.db2.gz AJMUBJIKNOQNTE-UHFFFAOYSA-N -1 0 304.349 -0.043 20 0 DBADRM CC[C@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])N1CCCC1=O ZINC000828603336 600736805 /nfs/dbraw/zinc/73/68/05/600736805.db2.gz IGZAZMBNVGYHKR-DTWKUNHWSA-N -1 0 300.311 -0.480 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCO1 ZINC000133025733 600737953 /nfs/dbraw/zinc/73/79/53/600737953.db2.gz SINGPFCUCRIHNT-SECBINFHSA-N -1 0 318.307 -0.725 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])Cc1ccc(S(C)(=O)=O)cc1 ZINC000737394500 600741685 /nfs/dbraw/zinc/74/16/85/600741685.db2.gz MBLXVSBHIPRAFN-UHFFFAOYSA-N -1 0 314.363 -0.277 20 0 DBADRM CN1CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])CC1=O ZINC000830954705 600757324 /nfs/dbraw/zinc/75/73/24/600757324.db2.gz GMTFEIARWVEOLS-UHFFFAOYSA-N -1 0 312.347 -0.011 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)CNC(=O)c1ccncc1 ZINC000831725428 600765706 /nfs/dbraw/zinc/76/57/06/600765706.db2.gz WHZJLLWDAJDABM-UHFFFAOYSA-N -1 0 309.322 -0.239 20 0 DBADRM CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000035207917 600768826 /nfs/dbraw/zinc/76/88/26/600768826.db2.gz QIMYCRLHWZUGPY-SSDOTTSWSA-N -1 0 303.340 -0.474 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC(C)(C)C(=O)[O-])cn1C ZINC000831343629 600769560 /nfs/dbraw/zinc/76/95/60/600769560.db2.gz QQRGUIPHSPRRSO-UHFFFAOYSA-N -1 0 304.324 -0.047 20 0 DBADRM Cn1cc(S(=O)(=O)NCCCn2cncn2)cc1C(=O)[O-] ZINC000381696479 600770055 /nfs/dbraw/zinc/77/00/55/600770055.db2.gz NODFZRZJYYZWHY-UHFFFAOYSA-N -1 0 313.339 -0.317 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(=O)OCC2CC2)cc1C(=O)[O-] ZINC000833053214 600778853 /nfs/dbraw/zinc/77/88/53/600778853.db2.gz SBLASJFSMGCZBT-UHFFFAOYSA-N -1 0 316.335 -0.045 20 0 DBADRM Cn1cc(/C=C/C(=O)NC(C)(C)CC(=O)[O-])c(=O)n(C)c1=O ZINC000739025893 600790364 /nfs/dbraw/zinc/79/03/64/600790364.db2.gz FVWJFHWHQIAHFX-AATRIKPKSA-N -1 0 309.322 -0.533 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000738180127 600803074 /nfs/dbraw/zinc/80/30/74/600803074.db2.gz RNCSXCHTSWBGKO-FQEVSTJZSA-N -1 0 305.400 -0.443 20 0 DBADRM CCO[C@H]1C[C@@H](O)C12CCN(CC(=O)NCC(=O)[O-])CC2 ZINC000737164920 600808605 /nfs/dbraw/zinc/80/86/05/600808605.db2.gz LBNBYQKWOGGDDC-MNOVXSKESA-N -1 0 300.355 -0.561 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](C(=O)[O-])C1 ZINC000736206321 600843399 /nfs/dbraw/zinc/84/33/99/600843399.db2.gz DKUNPWQRLFYUNP-OUAUKWLOSA-N -1 0 318.395 -0.525 20 0 DBADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1cn(CC(N)=O)nn1 ZINC000831919350 600850054 /nfs/dbraw/zinc/85/00/54/600850054.db2.gz WAYBSFJLWKVAFC-UHFFFAOYSA-N -1 0 320.261 -0.311 20 0 DBADRM CCCNC(=O)NC(=O)CN(CC(=O)[O-])C1CCOCC1 ZINC000829513429 600853456 /nfs/dbraw/zinc/85/34/56/600853456.db2.gz NMKIVYQGQQHCNB-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM COC(=O)CN(CC(=O)NCCC(=O)[O-])C1CCOCC1 ZINC000831164931 600855719 /nfs/dbraw/zinc/85/57/19/600855719.db2.gz VSMZOTHMXQLTJP-UHFFFAOYSA-N -1 0 302.327 -0.769 20 0 DBADRM C[C@H]1CN(C(=O)CN(CC(=O)[O-])C2CCOCC2)CCO1 ZINC000828340713 600857204 /nfs/dbraw/zinc/85/72/04/600857204.db2.gz KPUSTLCJCDZXJH-NSHDSACASA-N -1 0 300.355 -0.201 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000833206445 600859838 /nfs/dbraw/zinc/85/98/38/600859838.db2.gz TYBKGIRTDHSZEY-KWQFWETISA-N -1 0 306.322 -0.684 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)O)cc1C(=O)[O-] ZINC000831395244 600864899 /nfs/dbraw/zinc/86/48/99/600864899.db2.gz YNQLAOMNDJONJF-SSDOTTSWSA-N -1 0 324.289 -0.393 20 0 DBADRM Cn1cc(N2CCN(S(=O)(=O)CCCC(=O)[O-])CC2)cn1 ZINC000833047429 600866758 /nfs/dbraw/zinc/86/67/58/600866758.db2.gz SFQIKTTVGSLCTO-UHFFFAOYSA-N -1 0 316.383 -0.263 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CO)cc1C(=O)[O-] ZINC000831390259 600868834 /nfs/dbraw/zinc/86/88/34/600868834.db2.gz OFOIKYRXIKMGRV-SSDOTTSWSA-N -1 0 324.289 -0.393 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000111476621 600874880 /nfs/dbraw/zinc/87/48/80/600874880.db2.gz KRTXVCHIRWLQOH-QWRGUYRKSA-N -1 0 318.395 -0.019 20 0 DBADRM COC(=O)C[C@H](NC(=O)CSc1n[nH]c(C)n1)C(=O)[O-] ZINC000831129170 600877904 /nfs/dbraw/zinc/87/79/04/600877904.db2.gz RWIBNAGVEYSEDN-LURJTMIESA-N -1 0 302.312 -0.662 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(O)cc1 ZINC000833206413 600887640 /nfs/dbraw/zinc/88/76/40/600887640.db2.gz SUWYSXIKDOMZIS-LLVKDONJSA-N -1 0 308.290 -0.427 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1csc2cncn21 ZINC000833208218 600887669 /nfs/dbraw/zinc/88/76/69/600887669.db2.gz XDRMAYNYEZPCKU-ZETCQYMHSA-N -1 0 308.319 -0.189 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)COc1ccc(O)cc1 ZINC000833206417 600887722 /nfs/dbraw/zinc/88/77/22/600887722.db2.gz SUWYSXIKDOMZIS-NSHDSACASA-N -1 0 308.290 -0.427 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)NCCOCCO ZINC000833142616 600898159 /nfs/dbraw/zinc/89/81/59/600898159.db2.gz OTWFMKYBDOGMCD-UHFFFAOYSA-N -1 0 302.308 -0.490 20 0 DBADRM Cn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)c(=O)n(C)c1=O ZINC000833041156 600911517 /nfs/dbraw/zinc/91/15/17/600911517.db2.gz GRSVRDHWAPXMHF-SNVBAGLBSA-N -1 0 318.289 -0.965 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCC(=O)N1CCOCC1)c1ccccn1 ZINC000833096993 600911602 /nfs/dbraw/zinc/91/16/02/600911602.db2.gz YDQMAUMVOSPKLK-CQSZACIVSA-N -1 0 321.333 -0.038 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000827767941 600916025 /nfs/dbraw/zinc/91/60/25/600916025.db2.gz NBVWLMQWNLUXHD-HTRCEHHLSA-N -1 0 306.365 -0.072 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000320699050 600930574 /nfs/dbraw/zinc/93/05/74/600930574.db2.gz NUWNRDCEZGPJMU-NEPJUHHUSA-N -1 0 311.382 -0.103 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000828167088 600937927 /nfs/dbraw/zinc/93/79/27/600937927.db2.gz BSWACMQRKPPXBZ-DQDDRIPDSA-N -1 0 306.322 -0.249 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000226740438 600943565 /nfs/dbraw/zinc/94/35/65/600943565.db2.gz LKIRWLIGIYYSLC-NXEZZACHSA-N -1 0 306.384 -0.067 20 0 DBADRM Cc1ccc(OC(=O)c2cn(CC(N)=O)nn2)c(C(=O)[O-])c1 ZINC000832952963 600946432 /nfs/dbraw/zinc/94/64/32/600946432.db2.gz IQGQHSYBHHJREL-UHFFFAOYSA-N -1 0 304.262 -0.011 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000707472166 600946923 /nfs/dbraw/zinc/94/69/23/600946923.db2.gz AMGDBSOCHZQWGB-KXUCPTDWSA-N -1 0 304.368 -0.233 20 0 DBADRM CC(C)C[C@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000826811697 600952896 /nfs/dbraw/zinc/95/28/96/600952896.db2.gz FCDQLPSAYDWXCM-JTQLQIEISA-N -1 0 322.383 -0.056 20 0 DBADRM O=C([O-])CN(C(=O)CCN1CCOCC1)C1CCOCC1 ZINC000833244858 600957143 /nfs/dbraw/zinc/95/71/43/600957143.db2.gz SYFIMZSLGKOIFD-UHFFFAOYSA-N -1 0 300.355 -0.199 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NC[C@H](C(=O)[O-])c1ccccc1)C(N)=O ZINC000825879675 600972313 /nfs/dbraw/zinc/97/23/13/600972313.db2.gz ZYULUSLHGYBJKK-RYUDHWBXSA-N -1 0 321.333 -0.649 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1)C(N)=O ZINC000825879673 600972487 /nfs/dbraw/zinc/97/24/87/600972487.db2.gz ZYULUSLHGYBJKK-NEPJUHHUSA-N -1 0 321.333 -0.649 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000737578311 600981190 /nfs/dbraw/zinc/98/11/90/600981190.db2.gz YKPGWOXEMZWMAS-SECBINFHSA-N -1 0 319.339 -0.241 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000832848921 600990013 /nfs/dbraw/zinc/99/00/13/600990013.db2.gz OXONLXFUKAHSOU-UHFFFAOYSA-N -1 0 303.340 -0.028 20 0 DBADRM CCN(CC)C(=O)CN(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000088769661 600990617 /nfs/dbraw/zinc/99/06/17/600990617.db2.gz CYPRQEUGROVRRX-UHFFFAOYSA-N -1 0 309.388 -0.562 20 0 DBADRM CC(C)NC(=O)CN1CCN(c2cncc(C(=O)[O-])n2)CC1 ZINC000826971942 600999543 /nfs/dbraw/zinc/99/95/43/600999543.db2.gz SZGYFXOZNBVZJE-UHFFFAOYSA-N -1 0 307.354 -0.179 20 0 DBADRM CCS(=O)(=O)N1CCN(c2cncc(C(=O)[O-])n2)CC1 ZINC000830130796 601000184 /nfs/dbraw/zinc/00/01/84/601000184.db2.gz NFVHQLXHIJXKEB-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1ccc(O)cc1O ZINC000739787148 601019423 /nfs/dbraw/zinc/01/94/23/601019423.db2.gz XGUMYXMZCUVNBK-UHFFFAOYSA-N -1 0 324.333 -0.043 20 0 DBADRM COC(=O)c1cc(NC(=O)NC(CO)CO)cc(C(=O)[O-])c1 ZINC000831289772 601024706 /nfs/dbraw/zinc/02/47/06/601024706.db2.gz OYFKWBDZXMUBEF-UHFFFAOYSA-N -1 0 312.278 -0.354 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)c1 ZINC000737550419 601052526 /nfs/dbraw/zinc/05/25/26/601052526.db2.gz IBUCSUNXPZVMLW-SNVBAGLBSA-N -1 0 308.290 -0.208 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000830563396 601061048 /nfs/dbraw/zinc/06/10/48/601061048.db2.gz JTNKAMIQQDJLSR-UHFFFAOYSA-N -1 0 324.341 -0.201 20 0 DBADRM O=C([O-])[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1 ZINC000320095576 601078620 /nfs/dbraw/zinc/07/86/20/601078620.db2.gz DRMNOMAOOGKVAR-LLVKDONJSA-N -1 0 317.301 -0.067 20 0 DBADRM O=C(CN1CC(=O)NC1=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000738458738 601082501 /nfs/dbraw/zinc/08/25/01/601082501.db2.gz BDPITVIODZOGMQ-SNVBAGLBSA-N -1 0 305.290 -0.477 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2nccnc2C(N)=O)CC1 ZINC000827381052 601087681 /nfs/dbraw/zinc/08/76/81/601087681.db2.gz XTHBLEJXMBRSQC-SECBINFHSA-N -1 0 321.337 -0.804 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCCN1c1ncccn1)C(=O)NCC(=O)[O-] ZINC000827827923 601097785 /nfs/dbraw/zinc/09/77/85/601097785.db2.gz STIYXCHAITYEEV-VHSXEESVSA-N -1 0 322.321 -0.422 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000737415275 601099618 /nfs/dbraw/zinc/09/96/18/601099618.db2.gz JUQVJDMVGDXESF-JTQLQIEISA-N -1 0 316.383 -0.139 20 0 DBADRM CCCc1nc([C@@H]2CN(CC(=O)NCC(=O)[O-])CCO2)n[nH]1 ZINC000737051522 601107849 /nfs/dbraw/zinc/10/78/49/601107849.db2.gz UFLGNEZIRKYULE-VIFPVBQESA-N -1 0 311.342 -0.669 20 0 DBADRM NC(=O)CC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833079176 601111792 /nfs/dbraw/zinc/11/17/92/601111792.db2.gz AGQYYMFUMZHAJX-SSDOTTSWSA-N -1 0 311.319 -0.457 20 0 DBADRM NC(=O)Cn1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)nn1 ZINC000739161246 601115942 /nfs/dbraw/zinc/11/59/42/601115942.db2.gz MUBYJBGRPJSBEX-UHFFFAOYSA-N -1 0 307.241 -0.147 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000826001198 601118160 /nfs/dbraw/zinc/11/81/60/601118160.db2.gz TYJWFRPYRAJEGF-UWVGGRQHSA-N -1 0 316.354 -0.382 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)c1nonc1N)C(=O)[O-] ZINC000828727112 601122076 /nfs/dbraw/zinc/12/20/76/601122076.db2.gz AEQRIQCOCVTKIV-VDTYLAMSSA-N -1 0 300.271 -0.576 20 0 DBADRM Cc1nncn1CCNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000390023061 601127867 /nfs/dbraw/zinc/12/78/67/601127867.db2.gz XBYJAIQARNQGJT-UHFFFAOYSA-N -1 0 300.296 -0.144 20 0 DBADRM O=C([O-])c1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000821554366 601133045 /nfs/dbraw/zinc/13/30/45/601133045.db2.gz PEXOZQPQIOJVRB-LBPRGKRZSA-N -1 0 303.318 -0.473 20 0 DBADRM Cc1cc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)oc1C(=O)[O-] ZINC000832882984 601133429 /nfs/dbraw/zinc/13/34/29/601133429.db2.gz OOXQHWHJHFWFQQ-VIFPVBQESA-N -1 0 307.306 -0.571 20 0 DBADRM O=C([O-])NCC(=O)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000833279705 601143353 /nfs/dbraw/zinc/14/33/53/601143353.db2.gz QYKFBLHLVDIMDW-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CC1(CS(C)(=O)=O)CC1 ZINC000831067584 601179676 /nfs/dbraw/zinc/17/96/76/601179676.db2.gz UMOSHAUKDVNVOI-QMMMGPOBSA-N -1 0 321.351 -0.666 20 0 DBADRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCC(=O)N2CCNC(=O)C2)C1 ZINC000833359116 601179845 /nfs/dbraw/zinc/17/98/45/601179845.db2.gz ULBKRMLMPCMTLD-UWVGGRQHSA-N -1 0 312.322 -0.621 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NCC(=O)N2CCNC2=O)cc1 ZINC000833252964 601188078 /nfs/dbraw/zinc/18/80/78/601188078.db2.gz CAJHHBVFVKDJAU-UHFFFAOYSA-N -1 0 320.305 -0.535 20 0 DBADRM COC(=O)[C@H]1CCC[C@@H](C(=O)OCC(=O)NCC(=O)[O-])C1 ZINC000820660906 601190831 /nfs/dbraw/zinc/19/08/31/601190831.db2.gz NWASYOKFIWOWOY-DTWKUNHWSA-N -1 0 301.295 -0.290 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCN(C3CC3)C(=O)C2)n1 ZINC000833274916 601193937 /nfs/dbraw/zinc/19/39/37/601193937.db2.gz DHINCOKEOXWVNW-UHFFFAOYSA-N -1 0 307.310 -0.194 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCc2cn3ccccc3n2)nn1 ZINC000833121144 601195495 /nfs/dbraw/zinc/19/54/95/601195495.db2.gz XHQBFJJNXYGSOL-UHFFFAOYSA-N -1 0 314.305 -0.017 20 0 DBADRM C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)NCc1ccco1 ZINC000827637931 601198301 /nfs/dbraw/zinc/19/83/01/601198301.db2.gz YDHROFMYPMFPSY-QMMMGPOBSA-N -1 0 321.293 -0.610 20 0 DBADRM CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000037207063 601208536 /nfs/dbraw/zinc/20/85/36/601208536.db2.gz OFASFCVKZHRHOQ-UHFFFAOYSA-N -1 0 302.308 -0.582 20 0 DBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N1CCNC(=O)C1 ZINC000831929376 601211147 /nfs/dbraw/zinc/21/11/47/601211147.db2.gz HEVUENZDEAKXDG-UHFFFAOYSA-N -1 0 320.348 -0.425 20 0 DBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)NCCC(N)=O ZINC000831934463 601212551 /nfs/dbraw/zinc/21/25/51/601212551.db2.gz LYIRMTVAFXNIPQ-UHFFFAOYSA-N -1 0 308.337 -0.391 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000830975849 601213212 /nfs/dbraw/zinc/21/32/12/601213212.db2.gz VOVFXESOCPPZQL-YFKPBYRVSA-N -1 0 322.364 -0.132 20 0 DBADRM Cc1oc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)cc1C(=O)[O-] ZINC000833028001 601219164 /nfs/dbraw/zinc/21/91/64/601219164.db2.gz FTVNQSFCLFCUOP-MRVPVSSYSA-N -1 0 318.307 -0.839 20 0 DBADRM C/C(=C\CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)C(=O)[O-] ZINC000825742256 601219433 /nfs/dbraw/zinc/21/94/33/601219433.db2.gz XLZOBTUOJKGRJY-NYYWCZLTSA-N -1 0 323.349 -0.690 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)s1 ZINC000833309736 601244796 /nfs/dbraw/zinc/24/47/96/601244796.db2.gz KWFLYXBMASHAQU-ZCFIWIBFSA-N -1 0 309.303 -0.178 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc(C(N)=O)cc1 ZINC000830751929 601253415 /nfs/dbraw/zinc/25/34/15/601253415.db2.gz LEPMKTBTKZJOSH-UHFFFAOYSA-N -1 0 315.351 -0.474 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1cccc(C(N)=O)c1 ZINC000830751694 601254799 /nfs/dbraw/zinc/25/47/99/601254799.db2.gz BCBHLQNXOGISNN-UHFFFAOYSA-N -1 0 315.351 -0.474 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000830735125 601258716 /nfs/dbraw/zinc/25/87/16/601258716.db2.gz LKHXNIZTDDDERC-SNVBAGLBSA-N -1 0 322.383 -0.277 20 0 DBADRM COCCN1CCC[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000399504210 601259506 /nfs/dbraw/zinc/25/95/06/601259506.db2.gz KRPFTKUMLPJALK-LLVKDONJSA-N -1 0 323.415 -0.662 20 0 DBADRM C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@@H](C)N1CCOCC1 ZINC000827747338 601259895 /nfs/dbraw/zinc/25/98/95/601259895.db2.gz MCUJNABZCRDNBV-GHMZBOCLSA-N -1 0 323.415 -0.664 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)C[C@H]2CCOC2)CC1 ZINC000827386737 601260230 /nfs/dbraw/zinc/26/02/30/601260230.db2.gz XBMQBRDLYCIQPV-RYUDHWBXSA-N -1 0 320.411 -0.167 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000832848614 601260456 /nfs/dbraw/zinc/26/04/56/601260456.db2.gz IRYOTJLGNFIJSO-SECBINFHSA-N -1 0 316.383 -0.112 20 0 DBADRM CN(CCNS(=O)(=O)N(C)CCC(=O)[O-])CC(F)(F)F ZINC000830785367 601261815 /nfs/dbraw/zinc/26/18/15/601261815.db2.gz QBUUNRSSTXAGTC-UHFFFAOYSA-N -1 0 321.321 -0.279 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000698769939 601262385 /nfs/dbraw/zinc/26/23/85/601262385.db2.gz CNDKKLOKHKSIBW-SSDOTTSWSA-N -1 0 320.289 -0.099 20 0 DBADRM C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000828422035 601263143 /nfs/dbraw/zinc/26/31/43/601263143.db2.gz HQGYMEHFKQVTDJ-MNOVXSKESA-N -1 0 307.416 -0.090 20 0 DBADRM NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000761313251 601263679 /nfs/dbraw/zinc/26/36/79/601263679.db2.gz NCVBPKNVCGELKS-QMMMGPOBSA-N -1 0 315.351 -0.011 20 0 DBADRM CNC(=O)CC1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000830984609 601264930 /nfs/dbraw/zinc/26/49/30/601264930.db2.gz VQFZXUVZRIRMCJ-UHFFFAOYSA-N -1 0 321.399 -0.514 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000829790481 601273417 /nfs/dbraw/zinc/27/34/17/601273417.db2.gz VRRCQJKWIQGGLP-UHFFFAOYSA-N -1 0 320.349 -0.326 20 0 DBADRM CC(C)[C@@H](CNS(=O)(=O)C[C@H](C)C(=O)[O-])N1CCOCC1 ZINC000827557304 601273842 /nfs/dbraw/zinc/27/38/42/601273842.db2.gz CRRBMJUITCKYEB-NWDGAFQWSA-N -1 0 322.427 -0.017 20 0 DBADRM CCC(=O)N1CCCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000828563393 601275477 /nfs/dbraw/zinc/27/54/77/601275477.db2.gz YTJBKDNMMUUIQW-SNVBAGLBSA-N -1 0 306.384 -0.019 20 0 DBADRM CCC(=O)N1CCCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000828563392 601275516 /nfs/dbraw/zinc/27/55/16/601275516.db2.gz YTJBKDNMMUUIQW-JTQLQIEISA-N -1 0 306.384 -0.019 20 0 DBADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cn(CC(N)=O)nn1 ZINC000832522761 601277602 /nfs/dbraw/zinc/27/76/02/601277602.db2.gz DDXMWXCZBNGPTO-UHFFFAOYSA-N -1 0 320.261 -0.311 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCC(=O)NC2CCCCC2)nn1 ZINC000833120665 601277797 /nfs/dbraw/zinc/27/77/97/601277797.db2.gz LGYNJDSRLMWEBP-UHFFFAOYSA-N -1 0 323.353 -0.069 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])ccn1 ZINC000831236651 601277824 /nfs/dbraw/zinc/27/78/24/601277824.db2.gz ZLJNVJQWSXLJPE-SNVBAGLBSA-N -1 0 321.289 -0.717 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])ccn1 ZINC000831236650 601277974 /nfs/dbraw/zinc/27/79/74/601277974.db2.gz ZLJNVJQWSXLJPE-JTQLQIEISA-N -1 0 321.289 -0.717 20 0 DBADRM CC(C)C(=O)N[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000826651486 601279829 /nfs/dbraw/zinc/27/98/29/601279829.db2.gz FEFANIUJIBDJNA-JTQLQIEISA-N -1 0 323.353 -0.261 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC(C3OCCO3)CC2)nn1 ZINC000833339346 601280288 /nfs/dbraw/zinc/28/02/88/601280288.db2.gz WEUQOFBZVUSAPP-UHFFFAOYSA-N -1 0 310.310 -0.412 20 0 DBADRM COC(=O)[C@@H](C)CN(C(=O)Cn1cc(C(=O)[O-])nn1)C1CC1 ZINC000831059902 601280617 /nfs/dbraw/zinc/28/06/17/601280617.db2.gz LVEFLZQOXMYRAR-QMMMGPOBSA-N -1 0 310.310 -0.224 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCc2cn3c(n2)CCCC3)nn1 ZINC000833120787 601281346 /nfs/dbraw/zinc/28/13/46/601281346.db2.gz FJHBPMYPKUWODI-UHFFFAOYSA-N -1 0 304.310 -0.175 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCCN2CCCCC2=O)nn1 ZINC000833120834 601283321 /nfs/dbraw/zinc/28/33/21/601283321.db2.gz QMRRNACHWDNSFR-UHFFFAOYSA-N -1 0 309.326 -0.505 20 0 DBADRM CN(C)c1ncc(CNC(=O)Cn2cc(C(=O)[O-])nn2)n1C ZINC000830651591 601285480 /nfs/dbraw/zinc/28/54/80/601285480.db2.gz VBTQVBPISXCVOP-UHFFFAOYSA-N -1 0 307.314 -0.908 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H]2Cn2cncn2)nn1 ZINC000833339326 601285700 /nfs/dbraw/zinc/28/57/00/601285700.db2.gz DBSZDZVZCSHKPU-VIFPVBQESA-N -1 0 305.298 -0.741 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000830125720 601285743 /nfs/dbraw/zinc/28/57/43/601285743.db2.gz HFYYSAYBCJEJMY-MRVPVSSYSA-N -1 0 318.355 -0.742 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@H]2CCCN2c2ncccn2)n[nH]1 ZINC000833270486 601287090 /nfs/dbraw/zinc/28/70/90/601287090.db2.gz OQSAZSRJKUTQDP-MRVPVSSYSA-N -1 0 317.309 -0.171 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000828143659 601288201 /nfs/dbraw/zinc/28/82/01/601288201.db2.gz OOHJJEZTZOHZND-SFYZADRCSA-N -1 0 316.339 -0.990 20 0 DBADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1C[C@@H](O)[C@@H](O)C1 ZINC000833194677 601288454 /nfs/dbraw/zinc/28/84/54/601288454.db2.gz MAJJZFMCFRWJDE-MELADBBJSA-N -1 0 320.345 -0.938 20 0 DBADRM O=C([O-])c1cn(CC(=O)Nc2cnn(-c3ncccn3)c2)nn1 ZINC000833121783 601288712 /nfs/dbraw/zinc/28/87/12/601288712.db2.gz PCPDWEIGUMUBLM-UHFFFAOYSA-N -1 0 314.265 -0.409 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000828488024 601289529 /nfs/dbraw/zinc/28/95/29/601289529.db2.gz UCBZPAFYXNYHEE-KYXWUPHJSA-N -1 0 304.368 -0.507 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CCSc1nnnn1C ZINC000831549131 601295898 /nfs/dbraw/zinc/29/58/98/601295898.db2.gz LAMQNWJCMLOIKK-LLVKDONJSA-N -1 0 317.371 -0.312 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CCSc1nnnn1C ZINC000831549132 601296031 /nfs/dbraw/zinc/29/60/31/601296031.db2.gz LAMQNWJCMLOIKK-NSHDSACASA-N -1 0 317.371 -0.312 20 0 DBADRM COC[C@](C)(CC(=O)OC)NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000831591382 601300674 /nfs/dbraw/zinc/30/06/74/601300674.db2.gz TWYMMLCRJWLYMB-LBPRGKRZSA-N -1 0 314.298 -0.939 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC000818368598 601312414 /nfs/dbraw/zinc/31/24/14/601312414.db2.gz GLNHWLORWPUWSE-UHFFFAOYSA-N -1 0 324.341 -0.305 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000818369127 601313092 /nfs/dbraw/zinc/31/30/92/601313092.db2.gz YWAOXHDCWILZIE-SECBINFHSA-N -1 0 309.326 -0.090 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000825875508 601317919 /nfs/dbraw/zinc/31/79/19/601317919.db2.gz BRBPZEHARQQCQA-UHFFFAOYSA-N -1 0 324.337 -0.306 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000827066236 601326841 /nfs/dbraw/zinc/32/68/41/601326841.db2.gz LSIXVTUDPVXPGM-UHFFFAOYSA-N -1 0 307.368 -0.050 20 0 DBADRM CNS(=O)(=O)CC(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC000831024344 601341806 /nfs/dbraw/zinc/34/18/06/601341806.db2.gz GCTAYIJABGYHCC-UHFFFAOYSA-N -1 0 308.341 -0.957 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1=O ZINC000833037725 601342000 /nfs/dbraw/zinc/34/20/00/601342000.db2.gz QAOPBWFFULGKAU-SECBINFHSA-N -1 0 307.306 -0.187 20 0 DBADRM CC(C)[C@@H]1NC(=O)N(CC(=O)N2CCC(C(=O)[O-])CC2)C1=O ZINC000826741482 601347646 /nfs/dbraw/zinc/34/76/46/601347646.db2.gz DQPGRIWHBCKDPF-NSHDSACASA-N -1 0 311.338 -0.114 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N[C@H]2CCCNC2=O)c(F)c1 ZINC000821463604 601349027 /nfs/dbraw/zinc/34/90/27/601349027.db2.gz NPILTQVKSIEQLZ-JTQLQIEISA-N -1 0 323.280 -0.143 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)Nc2sccc2C(=O)[O-])CC1=O ZINC000830912811 601350995 /nfs/dbraw/zinc/35/09/95/601350995.db2.gz ANWOSVTZRLFDRG-ZCFIWIBFSA-N -1 0 311.319 -0.268 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N2CC[C@@H](CO)C2)c1 ZINC000833261272 601352133 /nfs/dbraw/zinc/35/21/33/601352133.db2.gz LOYLEPCGGLXMPC-SNVBAGLBSA-N -1 0 322.317 -0.071 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC(OC[C@H]2CCCO2)CC1 ZINC000821529419 601360126 /nfs/dbraw/zinc/36/01/26/601360126.db2.gz HYZVJMUYTIKPCX-GFCCVEGCSA-N -1 0 300.355 -0.153 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NCCCN2CCCC2=O)CCO1 ZINC000833217107 601366866 /nfs/dbraw/zinc/36/68/66/601366866.db2.gz GGLISDVETOBLMA-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM CC(C)NC(=O)CNC(=S)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000826970760 601367714 /nfs/dbraw/zinc/36/77/14/601367714.db2.gz AHNHUVODSNNJLO-VIFPVBQESA-N -1 0 303.384 -0.439 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@@H](C)n2cc(C(=O)[O-])ccc2=O)CC1 ZINC000825839267 601373033 /nfs/dbraw/zinc/37/30/33/601373033.db2.gz CKGZXJFKJQKBOJ-SNVBAGLBSA-N -1 0 321.333 -0.202 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CN2CCO[C@@H](CC(=O)[O-])C2)C1=O ZINC000828089367 601373882 /nfs/dbraw/zinc/37/38/82/601373882.db2.gz VVUGPEQEKRUHLM-IINYFYTJSA-N -1 0 311.338 -0.160 20 0 DBADRM NC(=O)c1cc(Cl)nnc1N1CCO[C@H](CC(=O)[O-])C1 ZINC000833084354 601381948 /nfs/dbraw/zinc/38/19/48/601381948.db2.gz DWPMYLJWNTXRRA-ZCFIWIBFSA-N -1 0 300.702 -0.091 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CNC(=O)c1ccsc1)C(=O)[O-] ZINC000831129497 601384341 /nfs/dbraw/zinc/38/43/41/601384341.db2.gz XULILFISDUAOSV-MRVPVSSYSA-N -1 0 314.319 -0.390 20 0 DBADRM COC(=O)[C@]1(F)CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000831094794 601390854 /nfs/dbraw/zinc/39/08/54/601390854.db2.gz UKEGIMZIGDVEJH-NSHDSACASA-N -1 0 320.298 -0.011 20 0 DBADRM COC[C@@H]1CCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000696512458 601396502 /nfs/dbraw/zinc/39/65/02/601396502.db2.gz VIKZNJFQPYSCFM-VIFPVBQESA-N -1 0 303.340 -0.233 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCCNC(=O)C1CCC1 ZINC000830747412 601396639 /nfs/dbraw/zinc/39/66/39/601396639.db2.gz KIIGJNZRCZUNEU-UHFFFAOYSA-N -1 0 321.399 -0.466 20 0 DBADRM COC(=O)C[C@H]1CN(S(=O)(=O)CCCC(=O)[O-])CCO1 ZINC000133029050 601397417 /nfs/dbraw/zinc/39/74/17/601397417.db2.gz BOEBKKBSIWPUJF-VIFPVBQESA-N -1 0 309.340 -0.555 20 0 DBADRM C[C@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)C(=O)[O-] ZINC000827465723 601399133 /nfs/dbraw/zinc/39/91/33/601399133.db2.gz BLVDRWYWMLRJEB-XCBNKYQSSA-N -1 0 313.335 -0.447 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000048445688 601400654 /nfs/dbraw/zinc/40/06/54/601400654.db2.gz APQLTDKSVOTVCV-MRVPVSSYSA-N -1 0 316.335 -0.437 20 0 DBADRM COC(=O)CN(C1CC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831164922 601402264 /nfs/dbraw/zinc/40/22/64/601402264.db2.gz VPELCQGVBCQMEV-UHFFFAOYSA-N -1 0 317.323 -0.706 20 0 DBADRM C/C(=C\COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000825758845 601413224 /nfs/dbraw/zinc/41/32/24/601413224.db2.gz RDLSDVCDFOPGJI-KMOPYBJPSA-N -1 0 308.290 -0.329 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCO[C@H](CO)C1 ZINC000825977709 601426074 /nfs/dbraw/zinc/42/60/74/601426074.db2.gz MVPMQQVOSLCVBK-PWSUYJOCSA-N -1 0 300.355 -0.609 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1=O ZINC000830907775 601427074 /nfs/dbraw/zinc/42/70/74/601427074.db2.gz PKGQXMXQBGKSQC-LHGDVCQASA-N -1 0 309.322 -0.456 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000833104924 601437182 /nfs/dbraw/zinc/43/71/82/601437182.db2.gz GAQIUEVGLQYTAL-SECBINFHSA-N -1 0 315.223 -0.127 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@](F)(C(=O)[O-])C2)CC1 ZINC000825841068 601437530 /nfs/dbraw/zinc/43/75/30/601437530.db2.gz OSTKSKJDICKOOI-IINYFYTJSA-N -1 0 315.345 -0.436 20 0 DBADRM Cc1cnc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)o1 ZINC000231641979 601440763 /nfs/dbraw/zinc/44/07/63/601440763.db2.gz ATFCQAKTEWUTKE-UHFFFAOYSA-N -1 0 300.296 -0.257 20 0 DBADRM CC1(C)NC(=O)N(CCCN2CCO[C@H](CC(=O)[O-])C2)C1=O ZINC000828082236 601454930 /nfs/dbraw/zinc/45/49/30/601454930.db2.gz KXKYZWLPEVKRPZ-SNVBAGLBSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCCO1)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000826005616 601455381 /nfs/dbraw/zinc/45/53/81/601455381.db2.gz ZEDFXEVAHRYNKR-UTUOFQBUSA-N -1 0 300.355 -0.154 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCO[C@@H](CO)C2)cccc1C(=O)[O-] ZINC000832855036 601456125 /nfs/dbraw/zinc/45/61/25/601456125.db2.gz KVRHYUDHJVQSLA-SNVBAGLBSA-N -1 0 322.317 -0.149 20 0 DBADRM CCCCNC(=O)NC(=O)CN1CCO[C@@H](CC(=O)[O-])C1 ZINC000091296904 601459597 /nfs/dbraw/zinc/45/95/97/601459597.db2.gz KTEGWIYCKDRZBU-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM CC(C)NC(=O)NC(=O)[C@@H](C)N1CCO[C@H](CC(=O)[O-])C1 ZINC000826976411 601460638 /nfs/dbraw/zinc/46/06/38/601460638.db2.gz WHMGNJPCHFLYMJ-NXEZZACHSA-N -1 0 301.343 -0.215 20 0 DBADRM Cn1cc(N2CC[C@@H](N3CCO[C@H](CC(=O)[O-])C3)C2=O)cn1 ZINC000833045667 601460975 /nfs/dbraw/zinc/46/09/75/601460975.db2.gz FWTUCXVIOFMYBN-VXGBXAGGSA-N -1 0 308.338 -0.299 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN2C(=O)NC[C@@H]2C1)C(=O)[O-] ZINC000828717048 601461840 /nfs/dbraw/zinc/46/18/40/601461840.db2.gz IVWNBZMYAFNDSW-HOSYDEDBSA-N -1 0 312.370 -0.689 20 0 DBADRM C[C@@H](OC(=O)Cc1nn(CCO)c(=O)c2ccccc12)C(=O)[O-] ZINC000820177742 601467111 /nfs/dbraw/zinc/46/71/11/601467111.db2.gz KKIGUMPVAIOGKU-SECBINFHSA-N -1 0 320.301 -0.052 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818213425 601467365 /nfs/dbraw/zinc/46/73/65/601467365.db2.gz FFVOJJONBNMBDP-VIFPVBQESA-N -1 0 321.333 -0.107 20 0 DBADRM COC(=O)CCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818502061 601472641 /nfs/dbraw/zinc/47/26/41/601472641.db2.gz DQHDQILMLXAKRS-UHFFFAOYSA-N -1 0 308.290 -0.069 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NCCn1cncn1 ZINC000819592106 601473152 /nfs/dbraw/zinc/47/31/52/601473152.db2.gz DUAYDNRCSJJKTP-UHFFFAOYSA-N -1 0 317.305 -0.340 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)c[nH]1 ZINC000761296590 601478262 /nfs/dbraw/zinc/47/82/62/601478262.db2.gz LLSDQUARIXIDPZ-UHFFFAOYSA-N -1 0 313.335 -0.292 20 0 DBADRM CC[C@](C)(CC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O ZINC000828671193 601479985 /nfs/dbraw/zinc/47/99/85/601479985.db2.gz BEMCIHGYNSJZBC-SNVBAGLBSA-N -1 0 315.413 -0.016 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)ccc1C(=O)[O-] ZINC000820991360 601483226 /nfs/dbraw/zinc/48/32/26/601483226.db2.gz CFZLSCNQUCUYHN-PHIMTYICSA-N -1 0 322.317 -0.414 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)cccc1C(=O)[O-] ZINC000832855711 601483336 /nfs/dbraw/zinc/48/33/36/601483336.db2.gz QPZZLTPRKOCRGR-AOOOYVTPSA-N -1 0 322.317 -0.414 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1 ZINC000833008565 601491987 /nfs/dbraw/zinc/49/19/87/601491987.db2.gz JQOQSNCZRDTLFN-SNVBAGLBSA-N -1 0 308.294 -0.574 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000831001144 601496820 /nfs/dbraw/zinc/49/68/20/601496820.db2.gz XPNJPUDNXWMJME-MRVPVSSYSA-N -1 0 322.321 -0.010 20 0 DBADRM CN(CC(=O)NCCCCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000830676662 601498039 /nfs/dbraw/zinc/49/80/39/601498039.db2.gz XYAHKHUTWBHHPB-NSHDSACASA-N -1 0 320.411 -0.134 20 0 DBADRM NC(=O)[C@H]1CCCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000833080520 601505160 /nfs/dbraw/zinc/50/51/60/601505160.db2.gz OTDWJAZNJLNRQV-VIFPVBQESA-N -1 0 304.368 -0.232 20 0 DBADRM CCN(CC(=O)N(C)C)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000829618357 601507587 /nfs/dbraw/zinc/50/75/87/601507587.db2.gz AIDUUKAJMMEFKR-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM COCCN([C@H](C)C(N)=O)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000831710023 601513777 /nfs/dbraw/zinc/51/37/77/601513777.db2.gz NGZDGLLEIFZSHC-SECBINFHSA-N -1 0 322.383 -0.607 20 0 DBADRM CN1CCC[C@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)C1=O ZINC000830935397 601520359 /nfs/dbraw/zinc/52/03/59/601520359.db2.gz YGUOZNVEILSZIU-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000833202224 601520801 /nfs/dbraw/zinc/52/08/01/601520801.db2.gz VWIFECHSIOZSCC-SECBINFHSA-N -1 0 316.379 -0.076 20 0 DBADRM COCCn1nc(C(=O)N[C@H](CC(=O)[O-])C2CC2)ccc1=O ZINC000316835269 601534977 /nfs/dbraw/zinc/53/49/77/601534977.db2.gz CXFDJOGSUUAKRP-LLVKDONJSA-N -1 0 309.322 -0.127 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000819121069 601555549 /nfs/dbraw/zinc/55/55/49/601555549.db2.gz WLXYCDPPHYSNKB-SNVBAGLBSA-N -1 0 308.294 -0.825 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@](F)(C(=O)[O-])C2)C1 ZINC000825870763 601555763 /nfs/dbraw/zinc/55/57/63/601555763.db2.gz BRKOGVBSHLXKJN-SMDDNHRTSA-N -1 0 315.345 -0.388 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CN2CCOC[C@@H]2C(=O)[O-])o1 ZINC000830626609 601558908 /nfs/dbraw/zinc/55/89/08/601558908.db2.gz JSEXBKCIVYJNOZ-SNVBAGLBSA-N -1 0 318.351 -0.185 20 0 DBADRM NC(=O)c1ccccc1NC(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC000316810421 601559347 /nfs/dbraw/zinc/55/93/47/601559347.db2.gz SZNSNEHVGIBIPW-NSHDSACASA-N -1 0 307.306 -0.491 20 0 DBADRM COC(=O)CCCc1nc(CN2CCOC[C@@H]2C(=O)[O-])no1 ZINC000831155280 601562844 /nfs/dbraw/zinc/56/28/44/601562844.db2.gz JRQODVUCCPLTBY-SECBINFHSA-N -1 0 313.310 -0.149 20 0 DBADRM CCN(CC(=O)NC)S(=O)(=O)c1csnc1C(=O)[O-] ZINC000829624594 601570894 /nfs/dbraw/zinc/57/08/94/601570894.db2.gz ZTLXBMLVHQMSAR-UHFFFAOYSA-N -1 0 307.353 -0.402 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000825977643 601578951 /nfs/dbraw/zinc/57/89/51/601578951.db2.gz LIPSQYPNEXILKF-ZYHUDNBSSA-N -1 0 324.381 -0.593 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000833228667 601580932 /nfs/dbraw/zinc/58/09/32/601580932.db2.gz TZKPLOJHUYLLFM-LBPRGKRZSA-N -1 0 320.411 -0.165 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000828471783 601587809 /nfs/dbraw/zinc/58/78/09/601587809.db2.gz OBRVEQOOLJKVJQ-RKDXNWHRSA-N -1 0 313.397 -0.597 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@@H]1C ZINC000227817436 601589589 /nfs/dbraw/zinc/58/95/89/601589589.db2.gz YBOSLBXUQZZKFQ-DTWKUNHWSA-N -1 0 308.356 -0.621 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)c1cnn(C)c1N)C(=O)[O-] ZINC000828727773 601589972 /nfs/dbraw/zinc/58/99/72/601589972.db2.gz FGSULQXBHNYEPX-XVKPBYJWSA-N -1 0 312.326 -0.225 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000800025801 601595473 /nfs/dbraw/zinc/59/54/73/601595473.db2.gz ZTMOGAUCISKLOG-NSHDSACASA-N -1 0 308.356 -0.825 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)Cn1ncc2ccccc2c1=O ZINC000833193337 601605857 /nfs/dbraw/zinc/60/58/57/601605857.db2.gz VQJIUKQHMPUMOZ-LBPRGKRZSA-N -1 0 317.301 -0.292 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)N2CCOC[C@H]2C(=O)[O-])C1=O ZINC000316542253 601608138 /nfs/dbraw/zinc/60/81/38/601608138.db2.gz CNADZPWNPKMIAM-ISVAXAHUSA-N -1 0 313.310 -0.981 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)N2CCOC[C@H]2C(=O)[O-])C1=O ZINC000316542255 601608156 /nfs/dbraw/zinc/60/81/56/601608156.db2.gz CNADZPWNPKMIAM-SDBXPKJASA-N -1 0 313.310 -0.981 20 0 DBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000833030569 601608163 /nfs/dbraw/zinc/60/81/63/601608163.db2.gz ZGSNRAXHBFENFQ-MRVPVSSYSA-N -1 0 321.289 -0.239 20 0 DBADRM C[C@]12CCC(=O)N1[C@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])CS2 ZINC000088374366 601608979 /nfs/dbraw/zinc/60/89/79/601608979.db2.gz IDGQKVULIAPYMU-ZDMBXUJBSA-N -1 0 314.363 -0.248 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)OCc1noc(CCC(=O)[O-])n1 ZINC000833041524 601609210 /nfs/dbraw/zinc/60/92/10/601609210.db2.gz BXSBGYXIZKEOHR-UHFFFAOYSA-N -1 0 322.277 -0.119 20 0 DBADRM CN(CC(=O)N1CCOC[C@@H]1C(=O)[O-])c1ncnc2nc[nH]c21 ZINC000830669505 601610643 /nfs/dbraw/zinc/61/06/43/601610643.db2.gz FFTJAIGGLUGEQF-MRVPVSSYSA-N -1 0 320.309 -0.899 20 0 DBADRM COCCCn1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])n1 ZINC000831710369 601629667 /nfs/dbraw/zinc/62/96/67/601629667.db2.gz WBVRGLUBGUHNFY-SECBINFHSA-N -1 0 312.326 -0.305 20 0 DBADRM COC[C@@](C)(O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000831637598 601630323 /nfs/dbraw/zinc/63/03/23/601630323.db2.gz LCTKHYAOGKDEOD-CQSZACIVSA-N -1 0 310.306 -0.163 20 0 DBADRM C[C@H]1CN(C(=O)CS(=O)(=O)CCCC(=O)[O-])C[C@H](C)O1 ZINC000828341049 601639619 /nfs/dbraw/zinc/63/96/19/601639619.db2.gz MZJRKWARKGUXBU-UWVGGRQHSA-N -1 0 307.368 -0.098 20 0 DBADRM CCCCC[C@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000829332848 601642378 /nfs/dbraw/zinc/64/23/78/601642378.db2.gz CNUZYHYOSQXDBS-JTQLQIEISA-N -1 0 311.338 -0.153 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000828354239 601651263 /nfs/dbraw/zinc/65/12/63/601651263.db2.gz HLVHSOJDHYEDER-ZJUUUORDSA-N -1 0 321.399 -0.370 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC000833098957 601653541 /nfs/dbraw/zinc/65/35/41/601653541.db2.gz URHVHTOIEWAKNY-LBPRGKRZSA-N -1 0 301.274 -0.656 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000826970878 601656046 /nfs/dbraw/zinc/65/60/46/601656046.db2.gz FOLYXGDQXLCNND-ZDUSSCGKSA-N -1 0 303.334 -0.532 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N2CC[C@@](F)(C(=O)[O-])C2)C1=O ZINC000830913001 601657075 /nfs/dbraw/zinc/65/70/75/601657075.db2.gz HXCIDLXKIZXADV-ZDUSSCGKSA-N -1 0 315.301 -0.314 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000231020697 601660420 /nfs/dbraw/zinc/66/04/20/601660420.db2.gz GHDQGFZEYBPIRJ-DTWKUNHWSA-N -1 0 307.372 -0.712 20 0 DBADRM C[C@@H]1CN(C(=O)NCC(C)(C)NS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000111774622 601661418 /nfs/dbraw/zinc/66/14/18/601661418.db2.gz BQTBLVMAZIOWIE-RKDXNWHRSA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262421746 601666000 /nfs/dbraw/zinc/66/60/00/601666000.db2.gz FMABZRHHLVOUAB-QMMMGPOBSA-N -1 0 308.356 -0.984 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)CCSCC(=O)[O-])CCO1 ZINC000831143878 601667843 /nfs/dbraw/zinc/66/78/43/601667843.db2.gz IPQVWUBPMPBWRZ-VIFPVBQESA-N -1 0 305.352 -0.015 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000362806319 601667915 /nfs/dbraw/zinc/66/79/15/601667915.db2.gz PRIMYJPXRRQODJ-LBPRGKRZSA-N -1 0 322.317 -0.134 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)CCC(=O)N2CCOCC2)CCO1 ZINC000833216134 601668480 /nfs/dbraw/zinc/66/84/80/601668480.db2.gz GRXFZUGXNOVUOK-NSHDSACASA-N -1 0 314.338 -0.673 20 0 DBADRM CC(C)(CNC(=O)NCCCN1CCCS1(=O)=O)C(=O)[O-] ZINC000826580960 601669280 /nfs/dbraw/zinc/66/92/80/601669280.db2.gz PSYFJXHTUTYVDQ-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)CCCN2C(=O)CCC2=O)CCO1 ZINC000833216881 601670227 /nfs/dbraw/zinc/67/02/27/601670227.db2.gz WSGXAWXCUHFOJB-JTQLQIEISA-N -1 0 312.322 -0.382 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)NCC(C)(C)C(=O)[O-] ZINC000826980525 601671005 /nfs/dbraw/zinc/67/10/05/601671005.db2.gz MYXWBRXDFBACPW-UHFFFAOYSA-N -1 0 309.388 -0.276 20 0 DBADRM CC(C)(CNC(=O)NCCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000826581423 601671752 /nfs/dbraw/zinc/67/17/52/601671752.db2.gz ZGZVJADZLDWREY-UHFFFAOYSA-N -1 0 300.315 -0.662 20 0 DBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C[C@H]2C)CC1 ZINC000825841902 601671923 /nfs/dbraw/zinc/67/19/23/601671923.db2.gz XERSLXJKLMLJRU-FMKGYKFTSA-N -1 0 323.393 -0.282 20 0 DBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C[C@@H]2C)CC1 ZINC000825841901 601671951 /nfs/dbraw/zinc/67/19/51/601671951.db2.gz XERSLXJKLMLJRU-AHLTXXRQSA-N -1 0 323.393 -0.282 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC000702996836 601687003 /nfs/dbraw/zinc/68/70/03/601687003.db2.gz XSJMJRRGYYBMPH-MRVPVSSYSA-N -1 0 307.372 -0.570 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)NCC(C)(C)C(=O)[O-])C2=O)cn1 ZINC000833045592 601688167 /nfs/dbraw/zinc/68/81/67/601688167.db2.gz DHOFURVEGFNYSU-JTQLQIEISA-N -1 0 323.353 -0.065 20 0 DBADRM COC[C@](C)(NC(=O)CS(=O)(=O)C1CCCC1)C(=O)[O-] ZINC000262218232 601691166 /nfs/dbraw/zinc/69/11/66/601691166.db2.gz SVBYWXWHYCVIBI-LBPRGKRZSA-N -1 0 307.368 -0.050 20 0 DBADRM COC[C@](C)(NC(=O)CNC(=O)OCC(F)(F)F)C(=O)[O-] ZINC000831608282 601691960 /nfs/dbraw/zinc/69/19/60/601691960.db2.gz JSEHKCSFGDZWQO-VIFPVBQESA-N -1 0 316.232 -0.119 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)C[C@@H]1C(=O)[O-] ZINC000828349091 601692101 /nfs/dbraw/zinc/69/21/01/601692101.db2.gz NCRIEKRZCICYDT-KOLCDFICSA-N -1 0 316.317 -0.029 20 0 DBADRM COC[C@](C)(NC(=O)CCC(=O)N1CCOCC1)C(=O)[O-] ZINC000831602677 601695135 /nfs/dbraw/zinc/69/51/35/601695135.db2.gz NPURIGUYSXGYBY-ZDUSSCGKSA-N -1 0 302.327 -0.769 20 0 DBADRM COC[C@](C)(NC(=O)c1ccc(-n2ccnc2)nn1)C(=O)[O-] ZINC000831617249 601697136 /nfs/dbraw/zinc/69/71/36/601697136.db2.gz ASQNRQLEABEKGP-ZDUSSCGKSA-N -1 0 305.294 -0.118 20 0 DBADRM COC[C@@](C)(NC(=O)[C@@H](C)Sc1nncn1C)C(=O)[O-] ZINC000831596815 601699025 /nfs/dbraw/zinc/69/90/25/601699025.db2.gz KWZFJFMXERNGLY-RDDDGLTNSA-N -1 0 302.356 -0.098 20 0 DBADRM CC(C)(CNC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000127027251 601708039 /nfs/dbraw/zinc/70/80/39/601708039.db2.gz DQMUSPWJZUKCMH-UHFFFAOYSA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)C[C@@H]1C(=O)[O-] ZINC000828342071 601709752 /nfs/dbraw/zinc/70/97/52/601709752.db2.gz WZOUGQKYMZNWBV-IUCAKERBSA-N -1 0 318.337 -0.032 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000833090872 601709964 /nfs/dbraw/zinc/70/99/64/601709964.db2.gz KDGLCXRCRNOOOS-LBPRGKRZSA-N -1 0 308.273 -0.566 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CC[C@](F)(C(=O)[O-])C2)n1C ZINC000833018146 601712536 /nfs/dbraw/zinc/71/25/36/601712536.db2.gz MNTBWGUHOYXKHH-CYBMUJFWSA-N -1 0 313.333 -0.419 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000088375076 601720735 /nfs/dbraw/zinc/72/07/35/601720735.db2.gz FHXHQVRQECTMDG-DTWKUNHWSA-N -1 0 323.392 -0.781 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000833192155 601720391 /nfs/dbraw/zinc/72/03/91/601720391.db2.gz PSEWRNWTURAYNH-PSASIEDQSA-N -1 0 308.294 -0.925 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000088375079 601720746 /nfs/dbraw/zinc/72/07/46/601720746.db2.gz FHXHQVRQECTMDG-IUCAKERBSA-N -1 0 323.392 -0.781 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000088375074 601720891 /nfs/dbraw/zinc/72/08/91/601720891.db2.gz FHXHQVRQECTMDG-RKDXNWHRSA-N -1 0 323.392 -0.781 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000833091643 601737074 /nfs/dbraw/zinc/73/70/74/601737074.db2.gz YOSOXXXRGBFSEV-QMMMGPOBSA-N -1 0 320.309 -0.889 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000829296577 601739222 /nfs/dbraw/zinc/73/92/22/601739222.db2.gz VODWWHYHEIBNHE-ZJUUUORDSA-N -1 0 301.343 -0.084 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N(CC(=O)[O-])C3CC3)cnc21 ZINC000833037697 601745537 /nfs/dbraw/zinc/74/55/37/601745537.db2.gz OGFPKJUGIXKUFH-UHFFFAOYSA-N -1 0 318.289 -0.277 20 0 DBADRM CN(CC(=O)N[C@H](C(=O)[O-])C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000830669526 601757454 /nfs/dbraw/zinc/75/74/54/601757454.db2.gz GJNMHCBSNQKZDE-KOLCDFICSA-N -1 0 304.368 -0.915 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1 ZINC000830424056 601762165 /nfs/dbraw/zinc/76/21/65/601762165.db2.gz GQUWDUHUWXCPJK-JTQLQIEISA-N -1 0 310.310 -0.456 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)cn2C)C[C@@H]1C(=O)[O-] ZINC000111249037 601763058 /nfs/dbraw/zinc/76/30/58/601763058.db2.gz NPGCROPRAKEAGO-APPZFPTMSA-N -1 0 315.351 -0.535 20 0 DBADRM C[C@@H]1CN(C(=S)NCCN2CCOCC2)C[C@@H]1C(=O)[O-] ZINC000828412804 601764937 /nfs/dbraw/zinc/76/49/37/601764937.db2.gz OKQCSTQWOCYDBT-MNOVXSKESA-N -1 0 301.412 -0.154 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000316735663 601765870 /nfs/dbraw/zinc/76/58/70/601765870.db2.gz OCUZKGQTUNHLDT-NWDGAFQWSA-N -1 0 315.370 -0.408 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000262165466 601766328 /nfs/dbraw/zinc/76/63/28/601766328.db2.gz VRVCYJLNXIUORZ-LLVKDONJSA-N -1 0 308.356 -0.982 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2ccc(-n3ccnc3)nn2)CCOC1 ZINC000833127628 601766710 /nfs/dbraw/zinc/76/67/10/601766710.db2.gz KRZHJFZDQQTLMV-ZDUSSCGKSA-N -1 0 303.278 -0.364 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)CNC(=O)NCc2ccco2)CCOC1 ZINC000262211234 601767490 /nfs/dbraw/zinc/76/74/90/601767490.db2.gz SBGYFHBXFMOWJB-CYBMUJFWSA-N -1 0 311.294 -0.561 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCOC1 ZINC000833128375 601767613 /nfs/dbraw/zinc/76/76/13/601767613.db2.gz DLSRNFDPQSDFFP-ISVAXAHUSA-N -1 0 308.294 -0.878 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCOC1 ZINC000833128378 601767627 /nfs/dbraw/zinc/76/76/27/601767627.db2.gz DLSRNFDPQSDFFP-SDBXPKJASA-N -1 0 308.294 -0.878 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2ccc(N3CCOCC3)nc2)CCOC1 ZINC000833127624 601767912 /nfs/dbraw/zinc/76/79/12/601767912.db2.gz KFQZYCIKSQOFHZ-OAHLLOKOSA-N -1 0 321.333 -0.108 20 0 DBADRM C[C@@H](CN1CCCC1=O)NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000827455999 601768746 /nfs/dbraw/zinc/76/87/46/601768746.db2.gz QKTZQLCZTHCGEW-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@@H](CS(=O)(=O)NCC(=O)NCc1ccco1)C(=O)[O-] ZINC000827559827 601772353 /nfs/dbraw/zinc/77/23/53/601772353.db2.gz YJLGNGXIEIHZEE-QMMMGPOBSA-N -1 0 304.324 -0.464 20 0 DBADRM COCCOCCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000234744995 601772710 /nfs/dbraw/zinc/77/27/10/601772710.db2.gz YQRFMIABUJADQZ-NSHDSACASA-N -1 0 304.343 -0.075 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NCCOC[C@H]2CCOC2)CCO1 ZINC000833217435 601775030 /nfs/dbraw/zinc/77/50/30/601775030.db2.gz IPNZRJQQFQFCAX-RYUDHWBXSA-N -1 0 316.354 -0.075 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCCOC[C@@H]2CCOC2)CCO1 ZINC000833217437 601775031 /nfs/dbraw/zinc/77/50/31/601775031.db2.gz IPNZRJQQFQFCAX-VXGBXAGGSA-N -1 0 316.354 -0.075 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000818638804 601780364 /nfs/dbraw/zinc/78/03/64/601780364.db2.gz GHVSBLRDRBMKAE-VIFPVBQESA-N -1 0 320.367 -0.694 20 0 DBADRM CC(=O)NC[C@H]1CCCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC000825870839 601782320 /nfs/dbraw/zinc/78/23/20/601782320.db2.gz GJDREGCWBDVMGE-MWLCHTKSSA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H](C)C(=O)NCc1ccco1)C(=O)[O-] ZINC000827547853 601782566 /nfs/dbraw/zinc/78/25/66/601782566.db2.gz XNDPVQHFOGTQAG-BDAKNGLRSA-N -1 0 318.351 -0.076 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-] ZINC000827546812 601783372 /nfs/dbraw/zinc/78/33/72/601783372.db2.gz PWJAZFSUBGCSAZ-QMMMGPOBSA-N -1 0 300.327 -0.080 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN(c2cccnn2)CC1)C(=O)[O-] ZINC000827546620 601784998 /nfs/dbraw/zinc/78/49/98/601784998.db2.gz NWRVHYJYAGPWFX-SNVBAGLBSA-N -1 0 314.367 -0.351 20 0 DBADRM C[C@H](CS(=O)(=O)NCC(=O)Nc1cccnc1)C(=O)[O-] ZINC000827558086 601785041 /nfs/dbraw/zinc/78/50/41/601785041.db2.gz IUIVAROCUQGPPM-MRVPVSSYSA-N -1 0 301.324 -0.340 20 0 DBADRM C[C@H](CS(=O)(=O)N1CSC[C@H]1C(=O)N(C)C)C(=O)[O-] ZINC000827547690 601785582 /nfs/dbraw/zinc/78/55/82/601785582.db2.gz VRTBHLQHLDIBMR-SFYZADRCSA-N -1 0 310.397 -0.500 20 0 DBADRM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000829608972 601785940 /nfs/dbraw/zinc/78/59/40/601785940.db2.gz SNTNZNKRHKEDFG-IUCAKERBSA-N -1 0 324.424 -0.110 20 0 DBADRM C[C@H]([C@H](C)NS(=O)(=O)C[C@@H](C)C(=O)[O-])N1CCOCC1 ZINC000827553491 601787988 /nfs/dbraw/zinc/78/79/88/601787988.db2.gz NUQLJJKXRUKVTK-OUAUKWLOSA-N -1 0 308.400 -0.264 20 0 DBADRM C[C@@H](CS(=O)(=O)N(C)[C@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000827534383 601790015 /nfs/dbraw/zinc/79/00/15/601790015.db2.gz WJYDNASEYSAVQE-JGVFFNPUSA-N -1 0 301.386 -0.598 20 0 DBADRM C[C@@H](CS(=O)(=O)N(C)[C@@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000827534385 601790022 /nfs/dbraw/zinc/79/00/22/601790022.db2.gz WJYDNASEYSAVQE-YUMQZZPRSA-N -1 0 301.386 -0.598 20 0 DBADRM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])CC2 ZINC000830323233 601791906 /nfs/dbraw/zinc/79/19/06/601791906.db2.gz YBHPAGCIWFXCQI-IUCAKERBSA-N -1 0 316.383 -0.205 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C)C(=O)[O-] ZINC000827547541 601792913 /nfs/dbraw/zinc/79/29/13/601792913.db2.gz UZUYPDBMROLDGL-IWSPIJDZSA-N -1 0 313.397 -0.456 20 0 DBADRM C[C@@H]1CN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)C[C@@H]1C(=O)[O-] ZINC000828387997 601795747 /nfs/dbraw/zinc/79/57/47/601795747.db2.gz VDMGXWFCBKCSLT-BDAKNGLRSA-N -1 0 324.341 -0.449 20 0 DBADRM Cc1nc([C@@H]2CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CCO2)n[nH]1 ZINC000832990722 601796622 /nfs/dbraw/zinc/79/66/22/601796622.db2.gz GHLXFHDDWONRII-APPZFPTMSA-N -1 0 318.355 -0.463 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC2(CNC(=O)C2)CC1)C(=O)[O-] ZINC000827542923 601797067 /nfs/dbraw/zinc/79/70/67/601797067.db2.gz WOWWYFOCBMAIRX-VIFPVBQESA-N -1 0 304.368 -0.361 20 0 DBADRM C[C@H](CS(=O)(=O)NCCc1nnc2ccccn21)C(=O)[O-] ZINC000827564950 601800738 /nfs/dbraw/zinc/80/07/38/601800738.db2.gz ZDIXAXMNNAAMAZ-SECBINFHSA-N -1 0 312.351 -0.088 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000830742534 601802692 /nfs/dbraw/zinc/80/26/92/601802692.db2.gz FEUHMINOXJJZSO-QWRGUYRKSA-N -1 0 322.383 -0.483 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC000829958475 601804271 /nfs/dbraw/zinc/80/42/71/601804271.db2.gz LUEZMUNSDMSFLO-LLVKDONJSA-N -1 0 310.372 -0.579 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-] ZINC000831632218 601805030 /nfs/dbraw/zinc/80/50/30/601805030.db2.gz VNXNDSFNMNRQLF-VIFPVBQESA-N -1 0 311.747 -0.159 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC000831631376 601805721 /nfs/dbraw/zinc/80/57/21/601805721.db2.gz FSWHUJLFOJDDGV-NSHDSACASA-N -1 0 321.307 -0.166 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-] ZINC000831631683 601805772 /nfs/dbraw/zinc/80/57/72/601805772.db2.gz LGMBQJXBDGAUIC-NSHDSACASA-N -1 0 320.323 -0.431 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)N[C@@](C)(COC)C(=O)[O-])C1=O ZINC000328555603 601817435 /nfs/dbraw/zinc/81/74/35/601817435.db2.gz ZCMHOUQKAJBCNG-OLZOCXBDSA-N -1 0 315.326 -0.687 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)NCCCC(=O)[O-])CCN2C1=O ZINC000818202735 601848234 /nfs/dbraw/zinc/84/82/34/601848234.db2.gz QSKHVIMYUSXBFH-SECBINFHSA-N -1 0 312.326 -0.471 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1ccc2n[nH]nc2c1 ZINC000833236912 601854063 /nfs/dbraw/zinc/85/40/63/601854063.db2.gz PLVYSRCGVYKRMY-UHFFFAOYSA-N -1 0 305.294 -0.331 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)CCO1 ZINC000819219580 601854141 /nfs/dbraw/zinc/85/41/41/601854141.db2.gz KOYQZMRZXSPBAP-LLVKDONJSA-N -1 0 322.321 -0.456 20 0 DBADRM COc1ncc(NC(=O)C(=O)NCCCC(=O)[O-])cc1C(N)=O ZINC000818638805 601858498 /nfs/dbraw/zinc/85/84/98/601858498.db2.gz GWLIGXGSIKZBJC-UHFFFAOYSA-N -1 0 324.293 -0.891 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)[O-] ZINC000827466187 601859127 /nfs/dbraw/zinc/85/91/27/601859127.db2.gz IJHMCVVYPDSFDY-ONGXEEELSA-N -1 0 324.337 -0.163 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000830017806 601859813 /nfs/dbraw/zinc/85/98/13/601859813.db2.gz WKZLVHHTRAMEKY-SNVBAGLBSA-N -1 0 324.399 -0.442 20 0 DBADRM CCCn1cc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1 ZINC000829579257 601864006 /nfs/dbraw/zinc/86/40/06/601864006.db2.gz GIOUYYQMVPVBSZ-NSHDSACASA-N -1 0 324.337 -0.066 20 0 DBADRM NC(=O)NC(=O)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000321258271 601868126 /nfs/dbraw/zinc/86/81/26/601868126.db2.gz LXPBJMVVLHJNHB-UHFFFAOYSA-N -1 0 320.261 -0.652 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000739526347 601868618 /nfs/dbraw/zinc/86/86/18/601868618.db2.gz WKAXQCJZJOBJDC-ZJUUUORDSA-N -1 0 321.399 -0.037 20 0 DBADRM COCc1nn(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c(=O)o1 ZINC000831830932 601869812 /nfs/dbraw/zinc/86/98/12/601869812.db2.gz ASFDYOSHRVBUSO-MRVPVSSYSA-N -1 0 301.299 -0.402 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)[C@H]2CSCN2C(=O)[O-])cn1 ZINC000739749534 601873293 /nfs/dbraw/zinc/87/32/93/601873293.db2.gz PLXLMTYETKPVFZ-MRVPVSSYSA-N -1 0 313.339 -0.380 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCCc1nnc2n1CCC2 ZINC000740446870 601875694 /nfs/dbraw/zinc/87/56/94/601875694.db2.gz MFZOCYOTVFHYMK-MRVPVSSYSA-N -1 0 311.367 -0.064 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000739310915 601906027 /nfs/dbraw/zinc/90/60/27/601906027.db2.gz BTUIFMMYPSAGFL-JTQLQIEISA-N -1 0 321.399 -0.731 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])nn1 ZINC000833083410 601906800 /nfs/dbraw/zinc/90/68/00/601906800.db2.gz XTDYTCLYILNRML-UWVGGRQHSA-N -1 0 323.353 -0.083 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000832898479 601909208 /nfs/dbraw/zinc/90/92/08/601909208.db2.gz IIFOJWJGEDLVNI-UHFFFAOYSA-N -1 0 306.278 -0.218 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)NCCSCC(=O)[O-] ZINC000832898568 601910643 /nfs/dbraw/zinc/91/06/43/601910643.db2.gz JCKFWJIDWZHMLE-UHFFFAOYSA-N -1 0 300.336 -0.204 20 0 DBADRM O=C([O-])c1cnc(N2CCN(CC(=O)N3CCCC3)CC2)cn1 ZINC000833338593 601931230 /nfs/dbraw/zinc/93/12/30/601931230.db2.gz SLCYUWIEVGLJDR-UHFFFAOYSA-N -1 0 319.365 -0.081 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 ZINC000739534432 601936814 /nfs/dbraw/zinc/93/68/14/601936814.db2.gz LYYJKZKIMMSRAX-JTQLQIEISA-N -1 0 322.321 -0.114 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)[C@@H](NC(=O)[O-])c2ccccc2)CCO1 ZINC000740329946 601939229 /nfs/dbraw/zinc/93/92/29/601939229.db2.gz ZKYINFQXGBLZRT-MNOVXSKESA-N -1 0 307.306 -0.292 20 0 DBADRM CN(CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000737393096 601944640 /nfs/dbraw/zinc/94/46/40/601944640.db2.gz FXJIWKMDSSOABJ-MWLCHTKSSA-N -1 0 320.411 -0.279 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)O1 ZINC000833082896 601961166 /nfs/dbraw/zinc/96/11/66/601961166.db2.gz SFKUQJFMLRXKQR-RKDXNWHRSA-N -1 0 320.367 -0.806 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NCCN(C(=O)[O-])C2CC2)C1=O ZINC000739072213 601987295 /nfs/dbraw/zinc/98/72/95/601987295.db2.gz BHGBQTBEWQUQGY-UHFFFAOYSA-N -1 0 312.326 -0.425 20 0 DBADRM CN(CCc1ccccn1)C(=O)CNC(=O)CCNC(=O)[O-] ZINC000737447181 601989621 /nfs/dbraw/zinc/98/96/21/601989621.db2.gz OGQPMBDSYXGGQV-UHFFFAOYSA-N -1 0 308.338 -0.144 20 0 DBADRM O=C([O-])N1CCC[C@@H](CNS(=O)(=O)N2CCOCC2)C1 ZINC000740513479 601990245 /nfs/dbraw/zinc/99/02/45/601990245.db2.gz VBAKIYDLZWXPLX-JTQLQIEISA-N -1 0 307.372 -0.457 20 0 DBADRM C[C@H](NS(=O)(=O)N1CCOCC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739038272 601992830 /nfs/dbraw/zinc/99/28/30/601992830.db2.gz JZDHMZTWUHYWBN-WDEREUQCSA-N -1 0 321.399 -0.069 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)Nc2ccn(CC(=O)[O-])n2)O1 ZINC000833080588 601997229 /nfs/dbraw/zinc/99/72/29/601997229.db2.gz BOCUVHHGHICFKO-JGVFFNPUSA-N -1 0 311.298 -0.878 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000739588761 601999572 /nfs/dbraw/zinc/99/95/72/601999572.db2.gz QIJVIBPBBQFZKR-JTQLQIEISA-N -1 0 307.372 -0.362 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN3C(=O)OC[C@@H]3C2)c[nH]1 ZINC000833302756 602009596 /nfs/dbraw/zinc/00/95/96/602009596.db2.gz FCFRYSQYACBLJM-ZETCQYMHSA-N -1 0 315.307 -0.462 20 0 DBADRM COCC[C@@H](C)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739804527 602019317 /nfs/dbraw/zinc/01/93/17/602019317.db2.gz IOUTXVVFVFREFA-SNVBAGLBSA-N -1 0 316.358 -0.467 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N(C)C(C)(C)C(=O)[O-] ZINC000830017859 602027019 /nfs/dbraw/zinc/02/70/19/602027019.db2.gz YGIIDKIWNZDQAK-UHFFFAOYSA-N -1 0 310.372 -0.736 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCCN(C(=O)[O-])C2CC2)o1 ZINC000740341879 602029345 /nfs/dbraw/zinc/02/93/45/602029345.db2.gz WJSXRWZEBKAEDA-UHFFFAOYSA-N -1 0 317.323 -0.201 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)NC[C@@H]1CN(C)CCO1 ZINC000740016713 602029598 /nfs/dbraw/zinc/02/95/98/602029598.db2.gz LKTLHNSDWIEYCR-NXEZZACHSA-N -1 0 305.400 -0.178 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)NCCN(C(=O)[O-])C1CC1 ZINC000740353291 602030025 /nfs/dbraw/zinc/03/00/25/602030025.db2.gz ITYDDVUQDMPPPN-UHFFFAOYSA-N -1 0 312.326 -0.423 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1C ZINC000833017872 602030310 /nfs/dbraw/zinc/03/03/10/602030310.db2.gz JYPPZENXYTZRDS-CQSZACIVSA-N -1 0 309.370 -0.121 20 0 DBADRM COC[C@](C)(CCO)NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000831590868 602042446 /nfs/dbraw/zinc/04/24/46/602042446.db2.gz OHXFWOITAAZLKO-LBPRGKRZSA-N -1 0 300.315 -0.123 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000833083453 602049424 /nfs/dbraw/zinc/04/94/24/602049424.db2.gz ADPVHNWVUCYIFA-UHFFFAOYSA-N -1 0 309.278 -0.535 20 0 DBADRM O=C([O-])N(CCNC(=O)NC[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000740437202 602057829 /nfs/dbraw/zinc/05/78/29/602057829.db2.gz PFHBYPAFFXWQFQ-VIFPVBQESA-N -1 0 319.383 -0.137 20 0 DBADRM CN(CCc1ccccn1)C(=O)CNC(=O)NCCNC(=O)[O-] ZINC000739703349 602060019 /nfs/dbraw/zinc/06/00/19/602060019.db2.gz BNFIHUOSOWSYBC-UHFFFAOYSA-N -1 0 323.353 -0.351 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2ccc(O)cc2)CC1 ZINC000169132374 602062724 /nfs/dbraw/zinc/06/27/24/602062724.db2.gz QOHWNDJOENFFEG-UHFFFAOYSA-N -1 0 307.306 -0.056 20 0 DBADRM O=C([O-])NCC(=O)OCC(=O)Nc1nnc([C@H]2CCCO2)o1 ZINC000740598868 602069298 /nfs/dbraw/zinc/06/92/98/602069298.db2.gz VVZCUUVREJCXHL-ZCFIWIBFSA-N -1 0 314.254 -0.330 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000739994664 602078128 /nfs/dbraw/zinc/07/81/28/602078128.db2.gz KHMBKRGOVGKMLE-SECBINFHSA-N -1 0 322.387 -0.775 20 0 DBADRM COCCNC(=O)CN1CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000831743677 602078964 /nfs/dbraw/zinc/07/89/64/602078964.db2.gz BQXWRSKKVNZSFB-NSHDSACASA-N -1 0 315.370 -0.996 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCC(=O)NC2CC2)cn1 ZINC000740705565 602084724 /nfs/dbraw/zinc/08/47/24/602084724.db2.gz CDUYJUXJYJJMGG-UHFFFAOYSA-N -1 0 321.293 -0.495 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)NCCOCCS(C)(=O)=O)C1 ZINC000828002958 602084759 /nfs/dbraw/zinc/08/47/59/602084759.db2.gz QYKCBHJGPGCHOD-GFCCVEGCSA-N -1 0 322.383 -0.446 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739596328 602087489 /nfs/dbraw/zinc/08/74/89/602087489.db2.gz KEOUEOIMBBPIQJ-UHFFFAOYSA-N -1 0 323.309 -0.296 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cn1 ZINC000740703655 602087662 /nfs/dbraw/zinc/08/76/62/602087662.db2.gz NOCRRNIUERRLNI-UHFFFAOYSA-N -1 0 307.266 -0.932 20 0 DBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)[O-])c1 ZINC000820730666 602091580 /nfs/dbraw/zinc/09/15/80/602091580.db2.gz VPKRXHNYRVSMGS-ZETCQYMHSA-N -1 0 320.323 -0.431 20 0 DBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)[O-])c1 ZINC000820730665 602091674 /nfs/dbraw/zinc/09/16/74/602091674.db2.gz VPKRXHNYRVSMGS-SSDOTTSWSA-N -1 0 320.323 -0.431 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000827316587 602094984 /nfs/dbraw/zinc/09/49/84/602094984.db2.gz BKBFVNODLMLASY-QMMMGPOBSA-N -1 0 307.306 -0.049 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000827256178 602099974 /nfs/dbraw/zinc/09/99/74/602099974.db2.gz IHLTWXXCTGYHSE-IUCAKERBSA-N -1 0 307.372 -0.871 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000827291441 602102440 /nfs/dbraw/zinc/10/24/40/602102440.db2.gz KQKLKUOMPLZJDN-SNVBAGLBSA-N -1 0 310.354 -0.002 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737856498 602116852 /nfs/dbraw/zinc/11/68/52/602116852.db2.gz TUDJZBCWDTZBGX-VIFPVBQESA-N -1 0 321.333 -0.107 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738014135 602121095 /nfs/dbraw/zinc/12/10/95/602121095.db2.gz LOIHKECXASEZDZ-UHFFFAOYSA-N -1 0 307.306 -0.543 20 0 DBADRM Cn1cc([C@]2(C)CN(Cn3cc(C(=O)[O-])nn3)CCO2)cn1 ZINC000833043794 602124768 /nfs/dbraw/zinc/12/47/68/602124768.db2.gz WRPNLDYOTWQRJC-ZDUSSCGKSA-N -1 0 306.326 -0.085 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000830734359 602134054 /nfs/dbraw/zinc/13/40/54/602134054.db2.gz DVFZFUMWNSDWTF-ZJUUUORDSA-N -1 0 319.383 -0.619 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCNC2=O)c1 ZINC000819548034 602134198 /nfs/dbraw/zinc/13/41/98/602134198.db2.gz ZKKGMKVYGONUEB-LLVKDONJSA-N -1 0 319.317 -0.353 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000827290168 602153110 /nfs/dbraw/zinc/15/31/10/602153110.db2.gz DHOVRWGFXBNLCA-VIFPVBQESA-N -1 0 324.424 -0.408 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1cc[nH]c(=O)c1 ZINC000833248431 602153431 /nfs/dbraw/zinc/15/34/31/602153431.db2.gz RMJNXWOHFRILAU-UHFFFAOYSA-N -1 0 309.322 -0.354 20 0 DBADRM COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H](C)CC(=O)[O-] ZINC000831176222 602156094 /nfs/dbraw/zinc/15/60/94/602156094.db2.gz WVPVKTFPDSGSKP-NSHDSACASA-N -1 0 316.354 -0.569 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738034856 602157308 /nfs/dbraw/zinc/15/73/08/602157308.db2.gz CDRWCISQLMDKSZ-SECBINFHSA-N -1 0 316.310 -0.449 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000740326195 602165836 /nfs/dbraw/zinc/16/58/36/602165836.db2.gz CLRMYZCYWVCJLD-ZJUUUORDSA-N -1 0 314.342 -0.728 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC000261656096 602173663 /nfs/dbraw/zinc/17/36/63/602173663.db2.gz IMWMMOUDLVZSBX-MRVPVSSYSA-N -1 0 321.376 -0.017 20 0 DBADRM CN1CCO[C@H]2CN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C[C@H]21 ZINC000830965219 602174752 /nfs/dbraw/zinc/17/47/52/602174752.db2.gz PJDKKDQKYYCHST-MNOVXSKESA-N -1 0 315.351 -0.584 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000827248201 602177705 /nfs/dbraw/zinc/17/77/05/602177705.db2.gz VQUCKOKRQZKYSY-CLAHSXSESA-N -1 0 311.338 -0.066 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)NCCCN(C(=O)[O-])C1CC1 ZINC000740363473 602188194 /nfs/dbraw/zinc/18/81/94/602188194.db2.gz ANOBKSLRBVLEPH-UHFFFAOYSA-N -1 0 324.337 -0.425 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000738619655 602190518 /nfs/dbraw/zinc/19/05/18/602190518.db2.gz NTOVIFVCXKZGII-SNVBAGLBSA-N -1 0 312.370 -0.593 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000739516580 602191696 /nfs/dbraw/zinc/19/16/96/602191696.db2.gz SJERMOKTRNGJDW-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)CN(C)C(=O)[O-])C1 ZINC000739832703 602196386 /nfs/dbraw/zinc/19/63/86/602196386.db2.gz UJSJHSWDPMMRRH-GHMZBOCLSA-N -1 0 315.370 -0.014 20 0 DBADRM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)CN(C)C(=O)[O-])C1 ZINC000739832708 602196578 /nfs/dbraw/zinc/19/65/78/602196578.db2.gz UJSJHSWDPMMRRH-MNOVXSKESA-N -1 0 315.370 -0.014 20 0 DBADRM Cn1c2ccncc2n(CN2CCO[C@H](CC(=O)[O-])C2)c1=O ZINC000833039288 602197121 /nfs/dbraw/zinc/19/71/21/602197121.db2.gz UAZWBHWGLHUEOU-SNVBAGLBSA-N -1 0 306.322 -0.132 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CN(C)C(=O)[O-])CC1 ZINC000738525523 602205783 /nfs/dbraw/zinc/20/57/83/602205783.db2.gz XOWUSTYACOAAQM-SECBINFHSA-N -1 0 315.326 -0.781 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)COC(=O)CN(C)C(=O)[O-] ZINC000739806083 602208849 /nfs/dbraw/zinc/20/88/49/602208849.db2.gz MKRHCVXXXHYWTM-ZETCQYMHSA-N -1 0 305.287 -1.000 20 0 DBADRM C[C@H](OC(=O)CN(C)C(=O)[O-])C(=O)N1CCC(C(N)=O)CC1 ZINC000739043579 602209234 /nfs/dbraw/zinc/20/92/34/602209234.db2.gz XRTGTDMHBXVZFM-QMMMGPOBSA-N -1 0 315.326 -0.748 20 0 DBADRM NC(=O)NC(=O)CCNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000833083997 602210819 /nfs/dbraw/zinc/21/08/19/602210819.db2.gz SRYUBAWFDPABFS-UHFFFAOYSA-N -1 0 321.336 -0.690 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)OCCNC(=O)[O-])CC1 ZINC000737222936 602217175 /nfs/dbraw/zinc/21/71/75/602217175.db2.gz NOZZNUBKOWBQGA-UHFFFAOYSA-N -1 0 308.356 -0.141 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)OCCNC(=O)[O-])[nH]c2=O ZINC000740296855 602218849 /nfs/dbraw/zinc/21/88/49/602218849.db2.gz JARNFNUICQPIHQ-UHFFFAOYSA-N -1 0 309.282 -0.188 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCCCNC(=O)[O-])C1=O ZINC000739074911 602224851 /nfs/dbraw/zinc/22/48/51/602224851.db2.gz MRNRCOFAWFHDHH-ZDUSSCGKSA-N -1 0 313.310 -0.092 20 0 DBADRM C[C@@H](CCNS(=O)(=O)N(C)CCC(=O)[O-])[S@](C)=O ZINC000253038280 602227319 /nfs/dbraw/zinc/22/73/19/602227319.db2.gz YYKBSCZNQTZRPR-QPFGOUBPSA-N -1 0 300.402 -0.616 20 0 DBADRM Cn1cc([C@]2(C)CN(CCC(=O)NCC(=O)[O-])CCO2)cn1 ZINC000833043352 602236908 /nfs/dbraw/zinc/23/69/08/602236908.db2.gz OLVSVVBWXTVUTF-AWEZNQCLSA-N -1 0 310.354 -0.442 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000830691658 602237987 /nfs/dbraw/zinc/23/79/87/602237987.db2.gz AWHNPIAYGQZTRJ-HNNXBMFYSA-N -1 0 324.381 -0.099 20 0 DBADRM Cc1nnc([C@@H]2CCCN(C(=O)Cn3cc(C(=O)[O-])nn3)C2)[nH]1 ZINC000832997058 602242531 /nfs/dbraw/zinc/24/25/31/602242531.db2.gz OCFYJHBCSQOJRK-SECBINFHSA-N -1 0 319.325 -0.191 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1c2c(nn1C)CCCC2 ZINC000831170000 602244767 /nfs/dbraw/zinc/24/47/67/602244767.db2.gz FBVPWUDJPVBQTG-UHFFFAOYSA-N -1 0 309.322 -0.001 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1CC1CCN(C(=O)[O-])CC1 ZINC000739764133 602256886 /nfs/dbraw/zinc/25/68/86/602256886.db2.gz SJYFGSNZEMXRRN-NSHDSACASA-N -1 0 313.354 -0.260 20 0 DBADRM CCN(CCNC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000739424546 602258776 /nfs/dbraw/zinc/25/87/76/602258776.db2.gz NKVCHDUANOWLSR-UHFFFAOYSA-N -1 0 322.387 -0.982 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1CC(=O)N1CCNC(=O)C1 ZINC000739011591 602265084 /nfs/dbraw/zinc/26/50/84/602265084.db2.gz QFAQZXVCWQVLDQ-QWRGUYRKSA-N -1 0 312.370 -0.545 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@@H](C)CC(=O)[O-])C1 ZINC000825871828 602271217 /nfs/dbraw/zinc/27/12/17/602271217.db2.gz YIMUTHIVOINXDU-GXSJLCMTSA-N -1 0 314.338 -0.233 20 0 DBADRM CNC(=O)CN1CCN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC000830991608 602282584 /nfs/dbraw/zinc/28/25/84/602282584.db2.gz GEAZYOOBULNRSH-UHFFFAOYSA-N -1 0 323.353 -0.381 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000827261944 602295477 /nfs/dbraw/zinc/29/54/77/602295477.db2.gz CSOHVLVNFHRGLH-JTQLQIEISA-N -1 0 320.349 -0.060 20 0 DBADRM COC(=O)CCNC(=O)C1(C(=O)NCCC(=O)[O-])CCC1 ZINC000831159965 602297466 /nfs/dbraw/zinc/29/74/66/602297466.db2.gz KYCPIYRAZTUBRU-UHFFFAOYSA-N -1 0 300.311 -0.573 20 0 DBADRM CN(CCNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)[O-] ZINC000739692559 602297562 /nfs/dbraw/zinc/29/75/62/602297562.db2.gz RBVYJLVDBSIQLK-CYBMUJFWSA-N -1 0 312.326 -0.567 20 0 DBADRM CN(CCNC(=O)CNC(=O)COc1ccccc1)C(=O)[O-] ZINC000739691991 602298944 /nfs/dbraw/zinc/29/89/44/602298944.db2.gz LKXSSHULOZRRAM-UHFFFAOYSA-N -1 0 309.322 -0.092 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCCN(C)C(=O)[O-])cc1 ZINC000739752985 602303000 /nfs/dbraw/zinc/30/30/00/602303000.db2.gz QCJWYVVZLJYTTL-UHFFFAOYSA-N -1 0 315.351 -0.066 20 0 DBADRM O=C([O-])N1CCC[C@H](C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)C1 ZINC000738716624 602308472 /nfs/dbraw/zinc/30/84/72/602308472.db2.gz BIKKXVOHDQMXIO-WPRPVWTQSA-N -1 0 309.322 -0.218 20 0 DBADRM O=C([O-])N1CCC[C@H](C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)C1 ZINC000738716622 602308635 /nfs/dbraw/zinc/30/86/35/602308635.db2.gz BIKKXVOHDQMXIO-WCBMZHEXSA-N -1 0 309.322 -0.218 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)CCC(=O)N1CCOCC1 ZINC000738751975 602310379 /nfs/dbraw/zinc/31/03/79/602310379.db2.gz WDOHDMZZBDJXRT-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM CCN(CCNC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)[O-] ZINC000739422053 602313207 /nfs/dbraw/zinc/31/32/07/602313207.db2.gz XIQAMWVPZYWGTH-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM CCN(CCNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000739422883 602314579 /nfs/dbraw/zinc/31/45/79/602314579.db2.gz AJDOOWAWVWAHEG-AATRIKPKSA-N -1 0 324.337 -0.787 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCN(C)C(=O)[O-] ZINC000739470637 602317140 /nfs/dbraw/zinc/31/71/40/602317140.db2.gz ZDBSKIATDXCQFC-SECBINFHSA-N -1 0 323.371 -0.542 20 0 DBADRM NS(=O)(=O)Cc1cccc(CNC(=O)CNC(=O)[O-])c1 ZINC000738445135 602325907 /nfs/dbraw/zinc/32/59/07/602325907.db2.gz NZHDXEDAEOPXMC-UHFFFAOYSA-N -1 0 301.324 -0.641 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000740019369 602328120 /nfs/dbraw/zinc/32/81/20/602328120.db2.gz WTSQLXSBUSCTAF-MRVPVSSYSA-N -1 0 310.397 -0.367 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC2CCN(C(=O)[O-])CC2)CCO1 ZINC000737586942 602330540 /nfs/dbraw/zinc/33/05/40/602330540.db2.gz LMGYNYMAGZRWDK-JTQLQIEISA-N -1 0 315.326 -0.288 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NC2CCN(C(=O)[O-])CC2)CCO1 ZINC000737586944 602330741 /nfs/dbraw/zinc/33/07/41/602330741.db2.gz LMGYNYMAGZRWDK-SNVBAGLBSA-N -1 0 315.326 -0.288 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)NC[C@H](O)C2CC2)CC1 ZINC000740433328 602331829 /nfs/dbraw/zinc/33/18/29/602331829.db2.gz NNRJPKIBUBZVFW-LBPRGKRZSA-N -1 0 314.386 -0.258 20 0 DBADRM COC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739799950 602338435 /nfs/dbraw/zinc/33/84/35/602338435.db2.gz AUTCUUVCAHBYRY-MNOVXSKESA-N -1 0 315.370 -0.109 20 0 DBADRM CN(CCNC(=O)CN(C)c1ncnc2nc[nH]c21)C(=O)[O-] ZINC000739691468 602341141 /nfs/dbraw/zinc/34/11/41/602341141.db2.gz HSILCBLKWRQBFJ-UHFFFAOYSA-N -1 0 307.314 -0.485 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCCN(CC(N)=O)CC1 ZINC000736361898 602341958 /nfs/dbraw/zinc/34/19/58/602341958.db2.gz JQWWCXXKZWJKSO-NSHDSACASA-N -1 0 300.359 -0.702 20 0 DBADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCN(C)C(=O)[O-] ZINC000740150502 602341969 /nfs/dbraw/zinc/34/19/69/602341969.db2.gz IQKPKZFBCYHUKI-UHFFFAOYSA-N -1 0 315.351 -0.018 20 0 DBADRM O=C([O-])NCCCNC(=O)CNS(=O)(=O)c1cccs1 ZINC000740652158 602348501 /nfs/dbraw/zinc/34/85/01/602348501.db2.gz IJWRMANPQWEDQL-UHFFFAOYSA-N -1 0 321.380 -0.200 20 0 DBADRM O=C([O-])NCCCNC(=O)CCn1nnc2ccccc2c1=O ZINC000740652128 602348806 /nfs/dbraw/zinc/34/88/06/602348806.db2.gz GXSFSXOCGYVFON-UHFFFAOYSA-N -1 0 319.321 -0.045 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000739522727 602359973 /nfs/dbraw/zinc/35/99/73/602359973.db2.gz DDRRJZAQLPQKMD-VIFPVBQESA-N -1 0 307.372 -0.427 20 0 DBADRM CN(CC1CCN(CC(=O)N2CCNC(=O)C2)CC1)C(=O)[O-] ZINC000739660107 602385259 /nfs/dbraw/zinc/38/52/59/602385259.db2.gz GQYLGBOVJRDIIH-UHFFFAOYSA-N -1 0 312.370 -0.733 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CSCN1C(=O)[O-])N1CCOCC1 ZINC000738939880 602387300 /nfs/dbraw/zinc/38/73/00/602387300.db2.gz OWKRITRIVZIQBZ-NXEZZACHSA-N -1 0 303.384 -0.124 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CSCN1C(=O)[O-])N1CCOCC1 ZINC000738939883 602387444 /nfs/dbraw/zinc/38/74/44/602387444.db2.gz OWKRITRIVZIQBZ-VHSXEESVSA-N -1 0 303.384 -0.124 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)NCC1(C(N)=O)CCOCC1 ZINC000739314291 602391106 /nfs/dbraw/zinc/39/11/06/602391106.db2.gz NRMHEVIIRQEJSS-SECBINFHSA-N -1 0 301.343 -0.179 20 0 DBADRM O=C([O-])NCCCNC(=O)N1CCC(N2CCNC2=O)CC1 ZINC000740649356 602403864 /nfs/dbraw/zinc/40/38/64/602403864.db2.gz FLHNKOLEPZFVRO-UHFFFAOYSA-N -1 0 313.358 -0.157 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)NCCN(C)C(=O)[O-] ZINC000740231149 602406025 /nfs/dbraw/zinc/40/60/25/602406025.db2.gz GWWMAVCLIIDMQZ-UHFFFAOYSA-N -1 0 321.341 -0.408 20 0 DBADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000739010274 602407047 /nfs/dbraw/zinc/40/70/47/602407047.db2.gz XXEOFOIGPXZDMV-SECBINFHSA-N -1 0 324.337 -0.156 20 0 DBADRM CN(CC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000739623384 602416343 /nfs/dbraw/zinc/41/63/43/602416343.db2.gz NCBNKMQFXOSLIV-SECBINFHSA-N -1 0 307.372 -0.616 20 0 DBADRM Cc1nc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C)nn1-c1nc[nH]n1 ZINC000740208245 602425221 /nfs/dbraw/zinc/42/52/21/602425221.db2.gz QLWJVQULPAWPRL-ZETCQYMHSA-N -1 0 320.313 -0.482 20 0 DBADRM CN(C)C(=O)CNC(=S)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739598385 602430364 /nfs/dbraw/zinc/43/03/64/602430364.db2.gz YVOFPJRMGJMZEW-SECBINFHSA-N -1 0 302.400 -0.119 20 0 DBADRM CS(=O)(=O)CCNC(=S)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739985008 602430695 /nfs/dbraw/zinc/43/06/95/602430695.db2.gz SKDMOMVJTSDNSR-QMMMGPOBSA-N -1 0 309.413 -0.505 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000740341158 602438523 /nfs/dbraw/zinc/43/85/23/602438523.db2.gz KDRGADMSIXAHKB-UWVGGRQHSA-N -1 0 319.383 -0.344 20 0 DBADRM CCN(CCNC(=O)NCCN1CCCS1(=O)=O)C(=O)[O-] ZINC000739429932 602441133 /nfs/dbraw/zinc/44/11/33/602441133.db2.gz AFLLJDPDBSEIGB-UHFFFAOYSA-N -1 0 322.387 -0.679 20 0 DBADRM CN(CC(=O)NC1(CNC(=O)[O-])CCCC1)S(C)(=O)=O ZINC000739621324 602443463 /nfs/dbraw/zinc/44/34/63/602443463.db2.gz BUOLQNYMAHAJPM-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM CN(CCNC(=O)NCCS(=O)(=O)NC(C)(C)C)C(=O)[O-] ZINC000739693595 602444056 /nfs/dbraw/zinc/44/40/56/602444056.db2.gz WGYKXKDPDMZDTA-UHFFFAOYSA-N -1 0 324.403 -0.387 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Cn1nnc2ccccc2c1=O ZINC000738925609 602446139 /nfs/dbraw/zinc/44/61/39/602446139.db2.gz AWHZUKLGFUFQLI-VIFPVBQESA-N -1 0 319.321 -0.094 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000738924652 602446179 /nfs/dbraw/zinc/44/61/79/602446179.db2.gz LCBCTUQEWQCZKN-VUHVRTRXSA-N -1 0 324.337 -0.788 20 0 DBADRM COCCn1nc(C(=O)N(C)[C@H](C)CNC(=O)[O-])ccc1=O ZINC000739841089 602446624 /nfs/dbraw/zinc/44/66/24/602446624.db2.gz XSHOHSGVDUTBBO-SECBINFHSA-N -1 0 312.326 -0.382 20 0 DBADRM CS(=O)(=O)N1CCN(C[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739989425 602451416 /nfs/dbraw/zinc/45/14/16/602451416.db2.gz CBFNCQAMFOZSMM-LLVKDONJSA-N -1 0 305.400 -0.046 20 0 DBADRM C[C@@H](CCNC(=O)Cn1cnc2c1ncnc2N)NC(=O)[O-] ZINC000738902562 602458067 /nfs/dbraw/zinc/45/80/67/602458067.db2.gz ZTHATDBNEQCHNN-ZETCQYMHSA-N -1 0 307.314 -0.429 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)CCN1CCCS1(=O)=O ZINC000738926668 602465717 /nfs/dbraw/zinc/46/57/17/602465717.db2.gz PWCRPXCHDIFPRV-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000738935634 602466526 /nfs/dbraw/zinc/46/65/26/602466526.db2.gz UQWIGQMOFCDVBX-QMMMGPOBSA-N -1 0 312.330 -0.906 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)N[C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000739267280 602469826 /nfs/dbraw/zinc/46/98/26/602469826.db2.gz YJMMULOGOBHKLA-ISVAXAHUSA-N -1 0 312.326 -0.425 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000739267276 602469973 /nfs/dbraw/zinc/46/99/73/602469973.db2.gz YJMMULOGOBHKLA-AMIZOPFISA-N -1 0 312.326 -0.425 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740028028 602473146 /nfs/dbraw/zinc/47/31/46/602473146.db2.gz BEQZPGZHVOMTJN-QMMMGPOBSA-N -1 0 310.310 -0.003 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000740390542 602474264 /nfs/dbraw/zinc/47/42/64/602474264.db2.gz KNQMHMMFKBSHRL-VIFPVBQESA-N -1 0 317.305 -0.340 20 0 DBADRM Cn1ccc(NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)n1 ZINC000740293480 602479707 /nfs/dbraw/zinc/47/97/07/602479707.db2.gz OXFZFKSNMJMLEY-UHFFFAOYSA-N -1 0 310.314 -0.636 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000736359926 602496299 /nfs/dbraw/zinc/49/62/99/602496299.db2.gz CQWVYEJZUJECCC-SNVBAGLBSA-N -1 0 321.399 -0.194 20 0 DBADRM CCOC(=O)CC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739476287 602496478 /nfs/dbraw/zinc/49/64/78/602496478.db2.gz QBEGCVVOQUCQNL-UHFFFAOYSA-N -1 0 301.343 -0.306 20 0 DBADRM O=C([O-])N1CCCC[C@H]1C(=O)NCCC(=O)N1CCOCC1 ZINC000740420107 602497966 /nfs/dbraw/zinc/49/79/66/602497966.db2.gz WYNFIVVHEDHTFT-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM COC(=O)[C@H]1C[C@@H]1C(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739774948 602498455 /nfs/dbraw/zinc/49/84/55/602498455.db2.gz VQQUEZAHWRUVCO-QWRGUYRKSA-N -1 0 313.354 -0.451 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739774943 602498667 /nfs/dbraw/zinc/49/86/67/602498667.db2.gz VQQUEZAHWRUVCO-GHMZBOCLSA-N -1 0 313.354 -0.451 20 0 DBADRM CCCN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739351927 602513784 /nfs/dbraw/zinc/51/37/84/602513784.db2.gz UOKMBHRUJHJWFI-SNVBAGLBSA-N -1 0 324.337 -0.060 20 0 DBADRM CCC(CC)(CNC(=O)[O-])NC(=O)CC[C@H]1NC(=O)NC1=O ZINC000739249013 602521928 /nfs/dbraw/zinc/52/19/28/602521928.db2.gz DTACJQKGSIAREX-MRVPVSSYSA-N -1 0 314.342 -0.083 20 0 DBADRM CCC(CC)(CNC(=O)[O-])NC(=O)CCNS(C)(=O)=O ZINC000739250057 602522227 /nfs/dbraw/zinc/52/22/27/602522227.db2.gz PPYPEIRIZGYPIP-UHFFFAOYSA-N -1 0 309.388 -0.132 20 0 DBADRM CN(CC(=O)N1CCC(N(C)C(=O)[O-])CC1)S(C)(=O)=O ZINC000737927926 602522811 /nfs/dbraw/zinc/52/28/11/602522811.db2.gz DFGSCIADJMRQKX-UHFFFAOYSA-N -1 0 307.372 -0.521 20 0 DBADRM CCCN(CN1C(=O)C(=O)N(C)C1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739359651 602526638 /nfs/dbraw/zinc/52/66/38/602526638.db2.gz OCLYAOXAMUSNBZ-SECBINFHSA-N -1 0 312.326 -0.171 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)CC[C@H]1NC(=O)NC1=O ZINC000738803185 602529989 /nfs/dbraw/zinc/52/99/89/602529989.db2.gz CUVSDDLLUUFBMW-DTWKUNHWSA-N -1 0 314.342 -0.227 20 0 DBADRM C[C@H](NC(=O)COC(=O)[C@@H]1CCCN1C(=O)[O-])C(=O)N(C)C ZINC000738964886 602540245 /nfs/dbraw/zinc/54/02/45/602540245.db2.gz GBMPCFSOLOCLGC-IUCAKERBSA-N -1 0 315.326 -0.735 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)NCC[C@@H](C)NC(=O)[O-] ZINC000738861092 602554959 /nfs/dbraw/zinc/55/49/59/602554959.db2.gz UGRXRRQJKSBBRZ-SECBINFHSA-N -1 0 324.403 -0.340 20 0 DBADRM CN1CCO[C@@H](CNC(=O)NCCN(C(=O)[O-])C2CC2)C1 ZINC000739745437 602555627 /nfs/dbraw/zinc/55/56/27/602555627.db2.gz VYWTZTOESAWQLW-NSHDSACASA-N -1 0 300.359 -0.241 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000740031279 602563271 /nfs/dbraw/zinc/56/32/71/602563271.db2.gz ODKUFZKFFIVFTG-UHFFFAOYSA-N -1 0 317.371 -0.708 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000738064865 602563440 /nfs/dbraw/zinc/56/34/40/602563440.db2.gz MEUQRXYAYPGCJX-UHFFFAOYSA-N -1 0 309.388 -0.116 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739815016 602563754 /nfs/dbraw/zinc/56/37/54/602563754.db2.gz WZFJJGKPLXCKML-SNVBAGLBSA-N -1 0 309.388 -0.116 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1C(N)=O ZINC000740290844 602568512 /nfs/dbraw/zinc/56/85/12/602568512.db2.gz RBDODZLPSTXTJA-ZETCQYMHSA-N -1 0 316.339 -0.845 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1cccn(C)c1=O ZINC000739689219 602576339 /nfs/dbraw/zinc/57/63/39/602576339.db2.gz XPHMMYKVKWYMQQ-UHFFFAOYSA-N -1 0 322.365 -0.247 20 0 DBADRM NC(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000740331149 602582549 /nfs/dbraw/zinc/58/25/49/602582549.db2.gz FSYITVCQWNSLMD-UWVGGRQHSA-N -1 0 313.358 -0.171 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)Cc1nc2ncccn2n1 ZINC000740387753 602582751 /nfs/dbraw/zinc/58/27/51/602582751.db2.gz PGDKLKUBYYEDPF-SECBINFHSA-N -1 0 304.310 -0.075 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NCCCN2C(=O)CCC2=O)C1 ZINC000740432633 602583018 /nfs/dbraw/zinc/58/30/18/602583018.db2.gz ZBMHHSPBQVIQKD-VIFPVBQESA-N -1 0 312.326 -0.423 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000740417697 602586785 /nfs/dbraw/zinc/58/67/85/602586785.db2.gz GCCBMCGPIFSUNY-DTWKUNHWSA-N -1 0 305.356 -0.527 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000740417699 602586911 /nfs/dbraw/zinc/58/69/11/602586911.db2.gz GCCBMCGPIFSUNY-RKDXNWHRSA-N -1 0 305.356 -0.527 20 0 DBADRM CN1CCO[C@H](CNC(=O)NC[C@@H]2CCCN2C(=O)[O-])C1 ZINC000739742111 602600557 /nfs/dbraw/zinc/60/05/57/602600557.db2.gz ICFXRGLAMHBZOT-WDEREUQCSA-N -1 0 300.359 -0.241 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000738927478 602614089 /nfs/dbraw/zinc/61/40/89/602614089.db2.gz NLSVZZRNAMPIPH-IUCAKERBSA-N -1 0 307.372 -0.281 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000738912298 602615535 /nfs/dbraw/zinc/61/55/35/602615535.db2.gz PEATXDYQBUHLJS-WDEREUQCSA-N -1 0 300.359 -0.241 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)[O-])C1)CC2 ZINC000740231142 602627337 /nfs/dbraw/zinc/62/73/37/602627337.db2.gz GVYHFBZILLWBGQ-VHSXEESVSA-N -1 0 308.342 -0.047 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)NCCCN1C(=O)CNC1=O ZINC000738926714 602630133 /nfs/dbraw/zinc/63/01/33/602630133.db2.gz LVMSSZLUPZPOII-QMMMGPOBSA-N -1 0 315.330 -0.774 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739991146 602634067 /nfs/dbraw/zinc/63/40/67/602634067.db2.gz KPBZKADYOJSRPB-VIFPVBQESA-N -1 0 320.371 -0.975 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000739313019 602639665 /nfs/dbraw/zinc/63/96/65/602639665.db2.gz JQSNTQOTKWEBGH-MRVPVSSYSA-N -1 0 300.315 -0.519 20 0 DBADRM CCN(C(=O)COCCNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739381890 602659102 /nfs/dbraw/zinc/65/91/02/602659102.db2.gz PZHHXSUQQQVBHK-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM C[C@@H](OC(=O)C1CCN(C(=O)[O-])CC1)C(=O)N1CCNC1=O ZINC000737709788 602659842 /nfs/dbraw/zinc/65/98/42/602659842.db2.gz WGNCRECCQAORPW-MRVPVSSYSA-N -1 0 313.310 -0.140 20 0 DBADRM Cn1cnnc1[C@H]1CCCN(C(=O)COCCNC(=O)[O-])C1 ZINC000740292962 602660631 /nfs/dbraw/zinc/66/06/31/602660631.db2.gz BINCAAILUUMDRW-JTQLQIEISA-N -1 0 311.342 -0.195 20 0 DBADRM O=C([O-])NCCOCC(=O)NC1CCN(c2ncccn2)CC1 ZINC000740669091 602661508 /nfs/dbraw/zinc/66/15/08/602661508.db2.gz XHBFYEQZHRPONK-UHFFFAOYSA-N -1 0 323.353 -0.154 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)Oc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000738995620 602664781 /nfs/dbraw/zinc/66/47/81/602664781.db2.gz OAQYHWPMRIFKGN-GMSGAONNSA-N -1 0 321.289 -0.001 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)COCCNC(=O)[O-])cn1 ZINC000739601169 602665312 /nfs/dbraw/zinc/66/53/12/602665312.db2.gz YKVHNCHWEADSRH-UHFFFAOYSA-N -1 0 313.314 -0.806 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCCN(c2cccnn2)CC1 ZINC000740666445 602666203 /nfs/dbraw/zinc/66/62/03/602666203.db2.gz FOAQPCGDEODRNF-UHFFFAOYSA-N -1 0 323.353 -0.201 20 0 DBADRM O=C([O-])NCCOCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000740664846 602666859 /nfs/dbraw/zinc/66/68/59/602666859.db2.gz MPSHXXCLVKBRME-UHFFFAOYSA-N -1 0 320.309 -0.233 20 0 DBADRM CCc1nc(CN2CCC[C@H](NC(=O)CNC(=O)[O-])C2)no1 ZINC000737279584 602668318 /nfs/dbraw/zinc/66/83/18/602668318.db2.gz KOWOTHKLIXBABX-VIFPVBQESA-N -1 0 311.342 -0.020 20 0 DBADRM COCCN(C(=O)[C@@H](C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739812731 602675568 /nfs/dbraw/zinc/67/55/68/602675568.db2.gz NWXYLWXAFHBCJN-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000737161747 602684152 /nfs/dbraw/zinc/68/41/52/602684152.db2.gz JYCRLELIJCFVFI-LLVKDONJSA-N -1 0 303.359 -0.862 20 0 DBADRM CC(C)N(CCC(=O)N1CC[C@@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000738837268 602689729 /nfs/dbraw/zinc/68/97/29/602689729.db2.gz DMBOKEJVACVVIM-SECBINFHSA-N -1 0 307.372 -0.346 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000739288766 602689752 /nfs/dbraw/zinc/68/97/52/602689752.db2.gz GZEOCETXZAKAFD-GZMMTYOYSA-N -1 0 307.372 -0.298 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)C2CCC(NC(=O)[O-])CC2)C1 ZINC000740340830 602690120 /nfs/dbraw/zinc/69/01/20/602690120.db2.gz HRCJTHJQYIBNGF-UDNWOFFPSA-N -1 0 319.383 -0.298 20 0 DBADRM CN(Cc1cc[nH]n1)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739705496 602690420 /nfs/dbraw/zinc/69/04/20/602690420.db2.gz SIPXLIKXTPOPRT-UHFFFAOYSA-N -1 0 324.341 -0.627 20 0 DBADRM O=C([O-])NCc1nc(C(=O)N[C@H]2CCS(=O)(=O)C2)cs1 ZINC000740683835 602696871 /nfs/dbraw/zinc/69/68/71/602696871.db2.gz LAAXWSFIBXCQQI-LURJTMIESA-N -1 0 319.364 -0.172 20 0 DBADRM CN(C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)[C@@H]1CCOC1 ZINC000739576449 602704921 /nfs/dbraw/zinc/70/49/21/602704921.db2.gz NXLFHBKUUPIWIJ-SNVBAGLBSA-N -1 0 314.342 -0.761 20 0 DBADRM CN1CCO[C@H](CNC(=O)c2csc(CNC(=O)[O-])n2)C1 ZINC000739745531 602709964 /nfs/dbraw/zinc/70/99/64/602709964.db2.gz XKOFSSXBCLBJAP-MRVPVSSYSA-N -1 0 314.367 -0.029 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cc1nc2ncccn2n1 ZINC000739150310 602720405 /nfs/dbraw/zinc/72/04/05/602720405.db2.gz VACBUWDKBPJEAF-VIFPVBQESA-N -1 0 304.310 -0.123 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000739836315 602721329 /nfs/dbraw/zinc/72/13/29/602721329.db2.gz CFZPNCTVOIFRLL-VIFPVBQESA-N -1 0 308.356 -0.742 20 0 DBADRM CC(C)[C@@](C)(O)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000738774392 602724958 /nfs/dbraw/zinc/72/49/58/602724958.db2.gz WLHIEOCWJYIZJV-AWEZNQCLSA-N -1 0 316.402 -0.012 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739466511 602728655 /nfs/dbraw/zinc/72/86/55/602728655.db2.gz RXDFJWRQHVLMMQ-UHFFFAOYSA-N -1 0 321.399 -0.132 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000736367512 602729599 /nfs/dbraw/zinc/72/95/99/602729599.db2.gz KDTPMQURDFDSLR-QMMMGPOBSA-N -1 0 309.388 -0.277 20 0 DBADRM COCCn1nc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C)ccc1=O ZINC000739843538 602731614 /nfs/dbraw/zinc/73/16/14/602731614.db2.gz VFFXTFOGULOXQJ-SNVBAGLBSA-N -1 0 324.337 -0.286 20 0 DBADRM C[C@H](NC(=O)CN1CCN(C(=O)[O-])C[C@@H]1C)C(=O)N(C)C ZINC000738960096 602737739 /nfs/dbraw/zinc/73/77/39/602737739.db2.gz FWUZCJPPHSFHTB-UWVGGRQHSA-N -1 0 300.359 -0.737 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CCCN(C(=O)[O-])CC2)CC1 ZINC000738524742 602738758 /nfs/dbraw/zinc/73/87/58/602738758.db2.gz PUGWIQCJDCOLTN-UHFFFAOYSA-N -1 0 312.370 -0.637 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1CC(=O)NCC(=O)N1CCCC1 ZINC000739158761 602739580 /nfs/dbraw/zinc/73/95/80/602739580.db2.gz CEDANIDRQXQUKJ-NSHDSACASA-N -1 0 312.370 -0.591 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)NCC(=O)N1CCCC1 ZINC000739158760 602739911 /nfs/dbraw/zinc/73/99/11/602739911.db2.gz CEDANIDRQXQUKJ-LLVKDONJSA-N -1 0 312.370 -0.591 20 0 DBADRM CC(C)(CNC(=O)NCCCNC(=O)[O-])NS(C)(=O)=O ZINC000738751564 602748827 /nfs/dbraw/zinc/74/88/27/602748827.db2.gz XHDUDOLPZUDDNV-UHFFFAOYSA-N -1 0 310.376 -0.729 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000739516150 602749705 /nfs/dbraw/zinc/74/97/05/602749705.db2.gz PRKQJNNAGYJPBN-SECBINFHSA-N -1 0 322.387 -0.681 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000739465296 602750471 /nfs/dbraw/zinc/75/04/71/602750471.db2.gz KESMRFKTMXBLDQ-VIFPVBQESA-N -1 0 322.387 -0.633 20 0 DBADRM CC(C)(NC(=O)[O-])c1noc(COC(=O)C2(C(N)=O)CC2)n1 ZINC000738753854 602751279 /nfs/dbraw/zinc/75/12/79/602751279.db2.gz AXFGEUDUXIEPKB-UHFFFAOYSA-N -1 0 312.282 -0.119 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H](C)N1C(=O)[O-] ZINC000739136634 602751914 /nfs/dbraw/zinc/75/19/14/602751914.db2.gz RPVWXWGONFXUQN-IUCAKERBSA-N -1 0 312.326 -0.473 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CCN(C(=O)[O-])C[C@H]1C ZINC000739368872 602752556 /nfs/dbraw/zinc/75/25/56/602752556.db2.gz XKZCONPBROWRRA-LLVKDONJSA-N -1 0 314.386 -0.345 20 0 DBADRM CN(CCCNC(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000739671614 602754891 /nfs/dbraw/zinc/75/48/91/602754891.db2.gz ZOUMITIETKRJRX-UHFFFAOYSA-N -1 0 324.403 -0.387 20 0 DBADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)CCNS(C)(=O)=O)CC1 ZINC000738996535 602755950 /nfs/dbraw/zinc/75/59/50/602755950.db2.gz HRZCCOPDNPEEOS-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])c(=O)n(C)c1=O ZINC000740281530 602760544 /nfs/dbraw/zinc/76/05/44/602760544.db2.gz SAKMQKCMGCUZCN-SCZZXKLOSA-N -1 0 324.337 -0.750 20 0 DBADRM CNC(=O)c1cccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])c1 ZINC000739749809 602765264 /nfs/dbraw/zinc/76/52/64/602765264.db2.gz ZVPQZSSOFRHVJX-UHFFFAOYSA-N -1 0 322.321 -0.289 20 0 DBADRM CN(CCNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1)C(=O)[O-] ZINC000739686509 602766042 /nfs/dbraw/zinc/76/60/42/602766042.db2.gz DRCUQZABSBAZNG-UHFFFAOYSA-N -1 0 322.321 -0.621 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739476297 602767271 /nfs/dbraw/zinc/76/72/71/602767271.db2.gz RHWWDUUYWWOPRK-MNOVXSKESA-N -1 0 315.370 -0.014 20 0 DBADRM CC(C)[C@@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)NC(=O)[O-] ZINC000738777641 602775381 /nfs/dbraw/zinc/77/53/81/602775381.db2.gz LYYBVNXFMHDVNE-SECBINFHSA-N -1 0 312.326 -0.665 20 0 DBADRM CCN(CCNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000739434443 602801539 /nfs/dbraw/zinc/80/15/39/602801539.db2.gz PRXNNSYOLOXLKA-UHFFFAOYSA-N -1 0 316.401 -0.660 20 0 DBADRM CN(CCCNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000739684118 602801747 /nfs/dbraw/zinc/80/17/47/602801747.db2.gz HJNATOHGTWRLSO-UHFFFAOYSA-N -1 0 316.401 -0.660 20 0 DBADRM CC(C)[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)NC(=O)[O-] ZINC000738787223 602802792 /nfs/dbraw/zinc/80/27/92/602802792.db2.gz MUJBQFAEOLELBY-MNOVXSKESA-N -1 0 302.375 -0.092 20 0 DBADRM C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H](C)N1C(=O)[O-] ZINC000739129134 602804912 /nfs/dbraw/zinc/80/49/12/602804912.db2.gz LRCPIYNMEPWMMC-YIZRAAEISA-N -1 0 312.326 -0.426 20 0 DBADRM C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H](C)N1C(=O)[O-] ZINC000739138127 602808095 /nfs/dbraw/zinc/80/80/95/602808095.db2.gz VXOMUTLNXCCPRH-RKDXNWHRSA-N -1 0 312.326 -0.520 20 0 DBADRM C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H](C)N1C(=O)[O-] ZINC000739125028 602809238 /nfs/dbraw/zinc/80/92/38/602809238.db2.gz LHFNCSXCGZXINY-DTORHVGOSA-N -1 0 307.372 -0.475 20 0 DBADRM CC(C)[C@@H](CNC(=O)Cn1cnc2c1ncnc2N)NC(=O)[O-] ZINC000738776825 602810364 /nfs/dbraw/zinc/81/03/64/602810364.db2.gz ITSHVDKICAOMCI-MRVPVSSYSA-N -1 0 321.341 -0.183 20 0 DBADRM CCN(CC(=O)N(C)CC(=O)N1CCN(C)CC1)C(=O)[O-] ZINC000739383105 602812075 /nfs/dbraw/zinc/81/20/75/602812075.db2.gz PABFBXSKKSKWCF-UHFFFAOYSA-N -1 0 300.359 -0.781 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000738014533 602813065 /nfs/dbraw/zinc/81/30/65/602813065.db2.gz MXHJRUYHBAMMLK-MRVPVSSYSA-N -1 0 310.314 -0.647 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)C2(NC(=O)[O-])CCCCC2)n1 ZINC000739750620 602813710 /nfs/dbraw/zinc/81/37/10/602813710.db2.gz VOBZQLGVJMIXPI-UHFFFAOYSA-N -1 0 324.341 -0.067 20 0 DBADRM C[C@@H]1CN(C(=O)NCCNS(C)(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739141655 602815915 /nfs/dbraw/zinc/81/59/15/602815915.db2.gz QEUCXXUORZWEJO-RKDXNWHRSA-N -1 0 322.387 -0.777 20 0 DBADRM CN(CC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)C(=O)[O-] ZINC000737393043 602817341 /nfs/dbraw/zinc/81/73/41/602817341.db2.gz JNXBBEDYENRDGR-VIFPVBQESA-N -1 0 309.326 -0.359 20 0 DBADRM CC(=O)N1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000738525519 602821089 /nfs/dbraw/zinc/82/10/89/602821089.db2.gz XMIHQQPTFPOEEC-GFCCVEGCSA-N -1 0 313.354 -0.164 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCCN1CCOCC1 ZINC000740426193 602821688 /nfs/dbraw/zinc/82/16/88/602821688.db2.gz AUYKFYBPODWEHR-LLVKDONJSA-N -1 0 301.343 -0.796 20 0 DBADRM CC(C)(CCC(=O)NCCCNS(C)(=O)=O)NC(=O)[O-] ZINC000738742218 602822049 /nfs/dbraw/zinc/82/20/49/602822049.db2.gz YPPACXCMDLXMKH-UHFFFAOYSA-N -1 0 309.388 -0.132 20 0 DBADRM C[C@H]1CN(C(=O)NCCS(C)(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739135744 602826224 /nfs/dbraw/zinc/82/62/24/602826224.db2.gz CUSLTWMFHBZBFN-DTWKUNHWSA-N -1 0 307.372 -0.281 20 0 DBADRM CC(C)(CCC(=O)N1CCN(CC(N)=O)CC1)NC(=O)[O-] ZINC000738743813 602826398 /nfs/dbraw/zinc/82/63/98/602826398.db2.gz OMIISVBWSKAENZ-UHFFFAOYSA-N -1 0 300.359 -0.558 20 0 DBADRM C[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H](C)N1C(=O)[O-] ZINC000739189208 602827182 /nfs/dbraw/zinc/82/71/82/602827182.db2.gz ZVBJSYXZRKTOAK-AOOOYVTPSA-N -1 0 310.354 -0.343 20 0 DBADRM CC(C)[C@@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000738789087 602827261 /nfs/dbraw/zinc/82/72/61/602827261.db2.gz QQSDPQYONFMUOD-RKDXNWHRSA-N -1 0 307.372 -0.235 20 0 DBADRM COC(=O)CCNC(=O)CN1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739763318 602828462 /nfs/dbraw/zinc/82/84/62/602828462.db2.gz VLQWWKIZHWGDCG-AOOOYVTPSA-N -1 0 301.343 -0.262 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)NCCCNC(=O)[O-] ZINC000739663368 602830098 /nfs/dbraw/zinc/83/00/98/602830098.db2.gz JOSFRYWDNZQMDW-SECBINFHSA-N -1 0 307.372 -0.280 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])NCc1nnc2n1CCC2 ZINC000740365119 602836068 /nfs/dbraw/zinc/83/60/68/602836068.db2.gz KKVHREQMFXWKNC-JTQLQIEISA-N -1 0 323.353 -0.001 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CSCN2C(=O)[O-])CCS1(=O)=O ZINC000739127748 602842951 /nfs/dbraw/zinc/84/29/51/602842951.db2.gz OLARSDXAIDUYHL-YUMQZZPRSA-N -1 0 308.381 -0.315 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000738798078 602843766 /nfs/dbraw/zinc/84/37/66/602843766.db2.gz RYJOAZQJQAAEAQ-DTWKUNHWSA-N -1 0 307.372 -0.571 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NC[C@@H](NC(=O)[O-])C(C)C)CCO1 ZINC000739754878 602845583 /nfs/dbraw/zinc/84/55/83/602845583.db2.gz ALRVGOIJWSISLT-NXEZZACHSA-N -1 0 317.342 -0.138 20 0 DBADRM NC(=O)CN1CCCN(C(=O)CN(CC2CC2)C(=O)[O-])CC1 ZINC000831190310 602850079 /nfs/dbraw/zinc/85/00/79/602850079.db2.gz SXGJVVQGSKGMRV-UHFFFAOYSA-N -1 0 312.370 -0.604 20 0 DBADRM NC(=O)NC[C@H]1CCCN(C(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000740333784 602850627 /nfs/dbraw/zinc/85/06/27/602850627.db2.gz WCWFVFBLMGZJPG-NXEZZACHSA-N -1 0 314.342 -0.728 20 0 DBADRM COC1(C(=O)N[C@H]2CCC(=O)N(C)C2)CCN(C(=O)[O-])CC1 ZINC000739800768 602851332 /nfs/dbraw/zinc/85/13/32/602851332.db2.gz YKEVYVKNQRDVAT-JTQLQIEISA-N -1 0 313.354 -0.118 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)C(C)(C)NC(=O)[O-])C1 ZINC000737553647 602854469 /nfs/dbraw/zinc/85/44/69/602854469.db2.gz UYURKASLXXWOAB-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)C1 ZINC000737553604 602854511 /nfs/dbraw/zinc/85/45/11/602854511.db2.gz UCBXWXHBPBQYIK-UWVGGRQHSA-N -1 0 321.399 -0.181 20 0 DBADRM COCCN(C(=O)C[C@H](C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000828964103 602857117 /nfs/dbraw/zinc/85/71/17/602857117.db2.gz LBZYWPASUGBCNW-UWVGGRQHSA-N -1 0 322.383 -0.305 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CCC[C@H](NC(=O)[O-])C2)C1=O ZINC000738060912 602858940 /nfs/dbraw/zinc/85/89/40/602858940.db2.gz WJIDVRDYBGTTKD-TVQRCGJNSA-N -1 0 314.342 -0.367 20 0 DBADRM NC(=O)Cc1csc(NC(=O)[C@@H]2COCCN2C(=O)[O-])n1 ZINC000740332822 602859178 /nfs/dbraw/zinc/85/91/78/602859178.db2.gz XFXWQIHKYMVQAD-ZETCQYMHSA-N -1 0 314.323 -0.512 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CCC(NC(=O)[O-])CC2)C1=O ZINC000739810925 602860327 /nfs/dbraw/zinc/86/03/27/602860327.db2.gz MWBVNAVFBPTOTB-CYBMUJFWSA-N -1 0 314.342 -0.367 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000738758503 602866118 /nfs/dbraw/zinc/86/61/18/602866118.db2.gz XTOWLOMUAOQRNQ-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739036203 602868457 /nfs/dbraw/zinc/86/84/57/602868457.db2.gz AONDOEMBTKHLOA-HRDYMLBCSA-N -1 0 307.372 -0.571 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000738674154 602874423 /nfs/dbraw/zinc/87/44/23/602874423.db2.gz OCHYSRYDJXTQQR-SECBINFHSA-N -1 0 301.343 -0.356 20 0 DBADRM CCc1nnc2n1C[C@@H](NC(=O)[C@H]1COCCN1C(=O)[O-])CC2 ZINC000739559710 602877474 /nfs/dbraw/zinc/87/74/74/602877474.db2.gz PEQGFTOXRSYLPR-VHSXEESVSA-N -1 0 323.353 -0.350 20 0 DBADRM COc1ccnc(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000739986248 602877718 /nfs/dbraw/zinc/87/77/18/602877718.db2.gz SWCZLHUMPNHVPB-UHFFFAOYSA-N -1 0 322.321 -0.358 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000738758125 602877957 /nfs/dbraw/zinc/87/79/57/602877957.db2.gz SMKBKSAKPWJZFP-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM CCN1CCO[C@H](CNC(=O)CN(CCOC)C(=O)[O-])C1 ZINC000739454738 602879510 /nfs/dbraw/zinc/87/95/10/602879510.db2.gz HJBQNYIGPURSLK-LLVKDONJSA-N -1 0 303.359 -0.550 20 0 DBADRM C[C@H]1CN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CCS1(=O)=O ZINC000739136195 602884260 /nfs/dbraw/zinc/88/42/60/602884260.db2.gz QKBRSACSXFEBLV-IUCAKERBSA-N -1 0 305.356 -0.433 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000738700968 602885275 /nfs/dbraw/zinc/88/52/75/602885275.db2.gz PGQYUDXMDOHUKA-SECBINFHSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CCS1(=O)=O ZINC000736810192 602885511 /nfs/dbraw/zinc/88/55/11/602885511.db2.gz JNUABQHTNLWRBF-NXEZZACHSA-N -1 0 319.383 -0.043 20 0 DBADRM N=C1NC(=O)C(CC(=O)NC[C@@H]2CCCN2C(=O)[O-])S1 ZINC000831240059 602888076 /nfs/dbraw/zinc/88/80/76/602888076.db2.gz LXQGDMCFFOSJPK-BQBZGAKWSA-N -1 0 300.340 -0.199 20 0 DBADRM CC[C@H](COC)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739258633 602888131 /nfs/dbraw/zinc/88/81/31/602888131.db2.gz VVTBVJOGJZBHKE-SNVBAGLBSA-N -1 0 316.358 -0.467 20 0 DBADRM O=C(C[C@H]1CCCN1C(=O)[O-])NCCCN1C(=O)CNC1=O ZINC000831329380 602889934 /nfs/dbraw/zinc/88/99/34/602889934.db2.gz YFCUMMGYQURAPC-SECBINFHSA-N -1 0 312.326 -0.423 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000740284529 602890447 /nfs/dbraw/zinc/89/04/47/602890447.db2.gz SPEJTCNNSWTJTF-ZETCQYMHSA-N -1 0 315.355 -0.859 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000738758517 602893853 /nfs/dbraw/zinc/89/38/53/602893853.db2.gz YITJRKQHCFPBOO-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM Cn1c(=O)cc(COC(=O)[C@@H]2CCN(C(=O)[O-])C2)n(C)c1=O ZINC000740281365 602894359 /nfs/dbraw/zinc/89/43/59/602894359.db2.gz GXLBDRXJDWMISZ-MRVPVSSYSA-N -1 0 311.294 -0.873 20 0 DBADRM CN(CCNC(=O)[C@H]1COCCN1C(=O)[O-])CC(F)(F)F ZINC000739688411 602901433 /nfs/dbraw/zinc/90/14/33/602901433.db2.gz KVCCPBXMFFNIIR-MRVPVSSYSA-N -1 0 313.276 -0.025 20 0 DBADRM C[C@@H](NC(=O)COC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)N(C)C ZINC000738965946 602901573 /nfs/dbraw/zinc/90/15/73/602901573.db2.gz XAUAJPNRQPHMCI-BDAKNGLRSA-N -1 0 315.326 -0.878 20 0 DBADRM C[C@H](NC(=O)COC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)N(C)C ZINC000738965950 602901680 /nfs/dbraw/zinc/90/16/80/602901680.db2.gz XAUAJPNRQPHMCI-IUCAKERBSA-N -1 0 315.326 -0.878 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000740400823 602901882 /nfs/dbraw/zinc/90/18/82/602901882.db2.gz ZHARBGKURDRBAA-DTWKUNHWSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000740349599 602901907 /nfs/dbraw/zinc/90/19/07/602901907.db2.gz NZXNYXARGQOTRB-RYUDHWBXSA-N -1 0 324.337 -0.511 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCN1CCSCC1 ZINC000740441551 602903865 /nfs/dbraw/zinc/90/38/65/602903865.db2.gz PTYSCPZGUYPSKG-JTQLQIEISA-N -1 0 303.384 -0.470 20 0 DBADRM NC(=O)Cn1cc(C(=O)Nc2cccc(CNC(=O)[O-])c2)nn1 ZINC000831199936 602904730 /nfs/dbraw/zinc/90/47/30/602904730.db2.gz NPTRVCZCGFXGNH-UHFFFAOYSA-N -1 0 318.293 -0.217 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000828572949 602905906 /nfs/dbraw/zinc/90/59/06/602905906.db2.gz LKBLQMAOEFBVJS-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739518356 602906984 /nfs/dbraw/zinc/90/69/84/602906984.db2.gz YOWVDRJWCIZZFF-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM C[C@H](NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)C(C)(C)O ZINC000738974097 602907876 /nfs/dbraw/zinc/90/78/76/602907876.db2.gz BUUYQPWKDPJYEX-VIFPVBQESA-N -1 0 316.358 -0.733 20 0 DBADRM CCC(CC)(CNC(=O)[O-])NC(=O)c1cn(CC(N)=O)nn1 ZINC000826547978 602908236 /nfs/dbraw/zinc/90/82/36/602908236.db2.gz QUISYKYBIHMYPU-UHFFFAOYSA-N -1 0 312.330 -0.680 20 0 DBADRM COCCN1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])C[C@@H]1C ZINC000739835500 602912837 /nfs/dbraw/zinc/91/28/37/602912837.db2.gz UPKFCSYMRYJZMA-NWDGAFQWSA-N -1 0 315.370 -0.456 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000739457276 602913013 /nfs/dbraw/zinc/91/30/13/602913013.db2.gz RCWPDUUDBXTRIL-VHSXEESVSA-N -1 0 303.384 -0.124 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739074121 602913719 /nfs/dbraw/zinc/91/37/19/602913719.db2.gz HPFNZMLJGCVYPG-OPRDCNLKSA-N -1 0 320.367 -0.601 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000739157218 602917017 /nfs/dbraw/zinc/91/70/17/602917017.db2.gz WRSOWSSQAKTCCV-UWVGGRQHSA-N -1 0 308.342 -0.013 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)CN(CC1CC1)C(=O)[O-] ZINC000831245558 602925084 /nfs/dbraw/zinc/92/50/84/602925084.db2.gz JVGDMTARLACGRD-JTQLQIEISA-N -1 0 319.383 -0.344 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)CCN1C(=O)[O-] ZINC000739136174 602926377 /nfs/dbraw/zinc/92/63/77/602926377.db2.gz QJRDZEFBVUDWJA-SNVBAGLBSA-N -1 0 319.321 -0.293 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C[C@@H](C)NC(=O)[O-])C1 ZINC000828573595 602932759 /nfs/dbraw/zinc/93/27/59/602932759.db2.gz UJBAZILJXUBVER-RKDXNWHRSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@H](OC(=O)COCCNC(=O)[O-])C(=O)N1CCOCC1 ZINC000739042251 602932790 /nfs/dbraw/zinc/93/27/90/602932790.db2.gz NKMXQXSPEOFIJJ-VIFPVBQESA-N -1 0 304.299 -0.939 20 0 DBADRM C[C@@H](NC(=O)NCCCN1CCN(C(=O)[O-])CC1)[C@H](C)CO ZINC000738943268 602933088 /nfs/dbraw/zinc/93/30/88/602933088.db2.gz WSUJVZHACFTBSF-VXGBXAGGSA-N -1 0 316.402 -0.012 20 0 DBADRM C[C@H]1CN(C(=O)Cc2nc3ncccn3n2)CCN1C(=O)[O-] ZINC000739138950 602933197 /nfs/dbraw/zinc/93/31/97/602933197.db2.gz SDTYXAKBGDUZKW-VIFPVBQESA-N -1 0 304.310 -0.123 20 0 DBADRM C[C@H]1CN(C(=O)COC(=O)COCCNC(=O)[O-])CCO1 ZINC000739138210 602933277 /nfs/dbraw/zinc/93/32/77/602933277.db2.gz WYOKKQDKIVAOIN-VIFPVBQESA-N -1 0 304.299 -0.939 20 0 DBADRM O=C([O-])N1CCC[C@@H]1COC(=O)Cn1ncn2nccc2c1=O ZINC000740390595 602933291 /nfs/dbraw/zinc/93/32/91/602933291.db2.gz MEWUJFFLUJMRPT-SECBINFHSA-N -1 0 321.293 -0.423 20 0 DBADRM C[C@H]1CN(C(=O)COC(=O)COCCNC(=O)[O-])C[C@H](C)O1 ZINC000739138947 602933318 /nfs/dbraw/zinc/93/33/18/602933318.db2.gz YSIIURAIJWDHFD-UWVGGRQHSA-N -1 0 318.326 -0.550 20 0 DBADRM CC(C)[C@@H](O)CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738795885 602934577 /nfs/dbraw/zinc/93/45/77/602934577.db2.gz BKSNSKDFPSEGRD-JTQLQIEISA-N -1 0 316.358 -0.875 20 0 DBADRM CN1CC[C@@H](OC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)C1=O ZINC000739729339 602934583 /nfs/dbraw/zinc/93/45/83/602934583.db2.gz QKGFQKOTMZZMII-SNVBAGLBSA-N -1 0 313.354 -0.166 20 0 DBADRM CC[C@H](CCO)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739257421 602935212 /nfs/dbraw/zinc/93/52/12/602935212.db2.gz GKVAFMGYWIRMGL-SNVBAGLBSA-N -1 0 316.358 -0.731 20 0 DBADRM C[C@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CCN1C(=O)[O-] ZINC000739136841 602935669 /nfs/dbraw/zinc/93/56/69/602935669.db2.gz SKJIZODZMWLTAZ-VIFPVBQESA-N -1 0 320.309 -0.898 20 0 DBADRM C[C@@H](O)C[C@H](C)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739037198 602935695 /nfs/dbraw/zinc/93/56/95/602935695.db2.gz LQLCTURYRAAPJI-NWDGAFQWSA-N -1 0 316.402 -0.012 20 0 DBADRM C[C@@H](O)C[C@@H](C)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739037202 602935723 /nfs/dbraw/zinc/93/57/23/602935723.db2.gz LQLCTURYRAAPJI-VXGBXAGGSA-N -1 0 316.402 -0.012 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)OC[C@@H]2CCCN2C(=O)[O-])C1=O ZINC000739728070 602936042 /nfs/dbraw/zinc/93/60/42/602936042.db2.gz LHOSEYZFCCDPND-ZETCQYMHSA-N -1 0 313.266 -0.907 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)CCN1C(=O)[O-] ZINC000739164339 602936977 /nfs/dbraw/zinc/93/69/77/602936977.db2.gz BUEHQOCKSGKQNU-ZETCQYMHSA-N -1 0 317.323 -0.249 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])CC1 ZINC000739993494 602943174 /nfs/dbraw/zinc/94/31/74/602943174.db2.gz ZJMYZAVOBRIQIA-NXEZZACHSA-N -1 0 319.383 -0.474 20 0 DBADRM CC(C)[C@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)NC(=O)[O-] ZINC000738795211 602951154 /nfs/dbraw/zinc/95/11/54/602951154.db2.gz VDMXCIITVSWMTN-VIFPVBQESA-N -1 0 312.326 -0.894 20 0 DBADRM Cn1cc(C(=O)NCC2CCN(C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000740283611 602952257 /nfs/dbraw/zinc/95/22/57/602952257.db2.gz FKOLTLKEOYAXGO-UHFFFAOYSA-N -1 0 324.337 -0.796 20 0 DBADRM Cn1cc(C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740284253 602952409 /nfs/dbraw/zinc/95/24/09/602952409.db2.gz MPJSOYSFQFYUKT-VIFPVBQESA-N -1 0 324.337 -0.796 20 0 DBADRM Cn1cc(C(=O)NC[C@@H]2CCCCN2C(=O)[O-])c(=O)n(C)c1=O ZINC000740284179 602952439 /nfs/dbraw/zinc/95/24/39/602952439.db2.gz LLGZPWDRIQVKEO-VIFPVBQESA-N -1 0 324.337 -0.654 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000827283745 602954200 /nfs/dbraw/zinc/95/42/00/602954200.db2.gz LNEGTSLFQTWSEP-SECBINFHSA-N -1 0 315.326 -0.734 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@H](CNC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740280559 602954686 /nfs/dbraw/zinc/95/46/86/602954686.db2.gz MIUKHMDEKYIIHJ-SECBINFHSA-N -1 0 324.337 -0.796 20 0 DBADRM COC1(C(=O)N2CCNC(=O)C[C@@H]2C)CCN(C(=O)[O-])CC1 ZINC000739798816 602956667 /nfs/dbraw/zinc/95/66/67/602956667.db2.gz KWWCAPCHHBOZMR-JTQLQIEISA-N -1 0 313.354 -0.118 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)CN(CC2CC2)C(=O)[O-])CCO1 ZINC000823580274 602959027 /nfs/dbraw/zinc/95/90/27/602959027.db2.gz QNDFMTJHXVNCDT-GFCCVEGCSA-N -1 0 313.354 -0.260 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000738136781 602961475 /nfs/dbraw/zinc/96/14/75/602961475.db2.gz ZEGGLIBKJGKYOX-NXEZZACHSA-N -1 0 319.383 -0.474 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000736360527 602961861 /nfs/dbraw/zinc/96/18/61/602961861.db2.gz GOEOTXHDRXOGKX-DTWKUNHWSA-N -1 0 307.372 -0.571 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000739309275 602963503 /nfs/dbraw/zinc/96/35/03/602963503.db2.gz WPMGJSOOSPVUHA-DTWKUNHWSA-N -1 0 307.372 -0.427 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000739227164 602963613 /nfs/dbraw/zinc/96/36/13/602963613.db2.gz QFKDYUKVXTYZDO-AEJSXWLSSA-N -1 0 321.399 -0.181 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000739293656 602963635 /nfs/dbraw/zinc/96/36/35/602963635.db2.gz XXXDXVJQJFCMQV-JOYOIKCWSA-N -1 0 321.399 -0.037 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739515237 602967175 /nfs/dbraw/zinc/96/71/75/602967175.db2.gz KINXNMDARYHHJV-IUCAKERBSA-N -1 0 307.372 -0.139 20 0 DBADRM C[C@@H](CC(=O)Nc1nc(CS(C)(=O)=O)no1)NC(=O)[O-] ZINC000824710740 602968103 /nfs/dbraw/zinc/96/81/03/602968103.db2.gz KYUJEMLLXHKBPP-YFKPBYRVSA-N -1 0 306.300 -0.401 20 0 DBADRM C[C@@H](CCNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)NC(=O)[O-] ZINC000738906832 602968413 /nfs/dbraw/zinc/96/84/13/602968413.db2.gz PGUZESXMEUOJOJ-DTWKUNHWSA-N -1 0 322.387 -0.634 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCS(C)(=O)=O ZINC000739199517 602974643 /nfs/dbraw/zinc/97/46/43/602974643.db2.gz HYMIAPFPQBRUSR-SFYZADRCSA-N -1 0 308.356 -0.349 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000738757686 602975836 /nfs/dbraw/zinc/97/58/36/602975836.db2.gz LAPWRKDLJNGYKM-RKDXNWHRSA-N -1 0 321.399 -0.133 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCCN(C(=O)[O-])C2)CCO1 ZINC000740327699 602975848 /nfs/dbraw/zinc/97/58/48/602975848.db2.gz OKXCEZBTSMCTLN-UWVGGRQHSA-N -1 0 314.342 -0.585 20 0 DBADRM NC(=O)Cn1cc(C(=O)NC2CCC(NC(=O)[O-])CC2)nn1 ZINC000831199615 602977451 /nfs/dbraw/zinc/97/74/51/602977451.db2.gz FVXXQQAUYCCRNZ-UHFFFAOYSA-N -1 0 310.314 -0.928 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000739995629 602977801 /nfs/dbraw/zinc/97/78/01/602977801.db2.gz PBIDFTBRIIBADF-DTWKUNHWSA-N -1 0 307.372 -0.522 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000737676238 602980049 /nfs/dbraw/zinc/98/00/49/602980049.db2.gz URMWVASEKUISCF-DTWKUNHWSA-N -1 0 307.372 -0.139 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC000737676240 602980206 /nfs/dbraw/zinc/98/02/06/602980206.db2.gz URMWVASEKUISCF-IUCAKERBSA-N -1 0 307.372 -0.139 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000740624136 602981074 /nfs/dbraw/zinc/98/10/74/602981074.db2.gz SHHAZJUFHHMESL-CIUDSAMLSA-N -1 0 312.326 -0.473 20 0 DBADRM CCc1nnc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)s1 ZINC000739555600 602982950 /nfs/dbraw/zinc/98/29/50/602982950.db2.gz AIDTZILUWHUTJQ-UHFFFAOYSA-N -1 0 313.339 -0.139 20 0 DBADRM CC[C@H]1CO[C@@H](C)CN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739280811 602984642 /nfs/dbraw/zinc/98/46/42/602984642.db2.gz TWIXGRWOXUXWCK-QWRGUYRKSA-N -1 0 313.354 -0.166 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])C[C@H]1C ZINC000739044923 602985270 /nfs/dbraw/zinc/98/52/70/602985270.db2.gz IPUSAMVRTFEPKG-GMTAPVOTSA-N -1 0 317.411 -0.047 20 0 DBADRM NC(=O)c1cccc(OC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000740335848 602991944 /nfs/dbraw/zinc/99/19/44/602991944.db2.gz XCUKZHRFMOGXHX-UHFFFAOYSA-N -1 0 321.289 -0.487 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)O[C@H]1CC(=O)N(CC(N)=O)C1 ZINC000739327322 602998731 /nfs/dbraw/zinc/99/87/31/602998731.db2.gz ZMYZHSUSHXOZTG-YUMQZZPRSA-N -1 0 301.299 -0.948 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)O[C@H]1CC(=O)N(CC(N)=O)C1 ZINC000739327320 602998787 /nfs/dbraw/zinc/99/87/87/602998787.db2.gz ZMYZHSUSHXOZTG-JGVFFNPUSA-N -1 0 301.299 -0.948 20 0 DBADRM NC(=O)CN1C[C@@H](OC(=O)[C@H]2CCCN(C(=O)[O-])C2)CC1=O ZINC000738439196 602998790 /nfs/dbraw/zinc/99/87/90/602998790.db2.gz FDEYMHMEORHCRJ-IUCAKERBSA-N -1 0 313.310 -0.994 20 0 DBADRM NC(=O)CN1C[C@H](OC(=O)C2CCN(C(=O)[O-])CC2)CC1=O ZINC000738440993 602998829 /nfs/dbraw/zinc/99/88/29/602998829.db2.gz PTQHUROZSNOWJI-SECBINFHSA-N -1 0 313.310 -0.994 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@H]1CC(=O)N(CC(N)=O)C1 ZINC000736425109 602998920 /nfs/dbraw/zinc/99/89/20/602998920.db2.gz JYQKUBLMIADPPA-IUCAKERBSA-N -1 0 315.326 -0.702 20 0 DBADRM C[C@H]1CN(C(=O)N[C@H]2CCS(=O)(=O)C2)CCN1C(=O)[O-] ZINC000825996671 603002021 /nfs/dbraw/zinc/00/20/21/603002021.db2.gz PMDIUTLKTPGYDY-IUCAKERBSA-N -1 0 305.356 -0.433 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000832465627 603002790 /nfs/dbraw/zinc/00/27/90/603002790.db2.gz HERNQCSJTDZEIO-GUBZILKMSA-N -1 0 319.383 -0.091 20 0 DBADRM Cn1cccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1=O ZINC000740292742 603006362 /nfs/dbraw/zinc/00/63/62/603006362.db2.gz BJNKCUIMPZQYEF-UHFFFAOYSA-N -1 0 308.294 -0.854 20 0 DBADRM Cc1nn(C)cc1[C@H](C)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740251242 603006442 /nfs/dbraw/zinc/00/64/42/603006442.db2.gz GFLFUUFBJUFREP-VIFPVBQESA-N -1 0 323.353 -0.272 20 0 DBADRM Cc1nn(C)cc1[C@@H](C)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740251238 603006638 /nfs/dbraw/zinc/00/66/38/603006638.db2.gz GFLFUUFBJUFREP-SECBINFHSA-N -1 0 323.353 -0.272 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000832550989 603009991 /nfs/dbraw/zinc/00/99/91/603009991.db2.gz GSIFSTIREUOPRN-RKDXNWHRSA-N -1 0 305.356 -0.385 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)NCCN1CCOCC1 ZINC000832551503 603010049 /nfs/dbraw/zinc/01/00/49/603010049.db2.gz OPYROLQWKXWPJA-NSHDSACASA-N -1 0 300.359 -0.240 20 0 DBADRM CCN(CC(=O)Nc1ccn(CCS(C)(=O)=O)n1)C(=O)[O-] ZINC000739402514 603012043 /nfs/dbraw/zinc/01/20/43/603012043.db2.gz LFXMZWHQYYXXLH-UHFFFAOYSA-N -1 0 318.355 -0.134 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)[O-])CCO1 ZINC000738550496 603013712 /nfs/dbraw/zinc/01/37/12/603013712.db2.gz KSYJNCYFDHCYHG-VHSXEESVSA-N -1 0 317.367 -0.597 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)[O-])CCO1 ZINC000738550599 603014063 /nfs/dbraw/zinc/01/40/63/603014063.db2.gz LXRDYMKHEOBHDV-NEPJUHHUSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738943266 603014825 /nfs/dbraw/zinc/01/48/25/603014825.db2.gz GGGDBWYJLOVMNE-JTQLQIEISA-N -1 0 309.326 -0.790 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000736364169 603015452 /nfs/dbraw/zinc/01/54/52/603015452.db2.gz NLFQZVVEUPHMPI-MNOVXSKESA-N -1 0 323.353 -0.066 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738943221 603016680 /nfs/dbraw/zinc/01/66/80/603016680.db2.gz FIRCLVMGHQPDQF-JTQLQIEISA-N -1 0 309.326 -0.790 20 0 DBADRM CS(=O)(=O)NCc1ccc(NC(=O)CNC(=O)[O-])cc1 ZINC000738140501 603016795 /nfs/dbraw/zinc/01/67/95/603016795.db2.gz XKYCEACIYUUNHE-UHFFFAOYSA-N -1 0 301.324 -0.058 20 0 DBADRM NC(=O)C1(CNC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])CCOCC1 ZINC000740326355 603021160 /nfs/dbraw/zinc/02/11/60/603021160.db2.gz VFUZUHOAZUKDAY-ZJUUUORDSA-N -1 0 313.354 -0.179 20 0 DBADRM COC[C@@H](C)S(=O)(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739808984 603023636 /nfs/dbraw/zinc/02/36/36/603023636.db2.gz WCKUGGOVYZZYCW-SNVBAGLBSA-N -1 0 309.388 -0.764 20 0 DBADRM CCN(CC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)C(=O)[O-] ZINC000739389961 603023662 /nfs/dbraw/zinc/02/36/62/603023662.db2.gz LLYFWSCPYXITOG-SECBINFHSA-N -1 0 322.387 -0.982 20 0 DBADRM CN(Cc1nccn1C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739724078 603024895 /nfs/dbraw/zinc/02/48/95/603024895.db2.gz RNEOUZJDKKPREC-UHFFFAOYSA-N -1 0 309.326 -0.799 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCCc2cscn2)C(=O)C1 ZINC000740367925 603026972 /nfs/dbraw/zinc/02/69/72/603026972.db2.gz FYNBDYMFCNVXML-UHFFFAOYSA-N -1 0 312.351 -0.376 20 0 DBADRM O=C([O-])N1CCC[C@@H](C(=O)N2CCO[C@H](Cn3cncn3)C2)C1 ZINC000738642954 603027181 /nfs/dbraw/zinc/02/71/81/603027181.db2.gz UVTDSHBSQKRSMA-NEPJUHHUSA-N -1 0 323.353 -0.105 20 0 DBADRM CC(C)(CC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)NC(=O)[O-] ZINC000738732497 603029582 /nfs/dbraw/zinc/02/95/82/603029582.db2.gz MFTLNRAZMDBCIL-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CSCN2C(=O)[O-])CCO1 ZINC000739471844 603033532 /nfs/dbraw/zinc/03/35/32/603033532.db2.gz FKVRWBFAMDIJKA-DTWKUNHWSA-N -1 0 318.351 -0.170 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[O-])CCO1 ZINC000739755458 603041721 /nfs/dbraw/zinc/04/17/21/603041721.db2.gz HUVTUNQUVVYXRD-AEJSXWLSSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])CCO1 ZINC000739755463 603041858 /nfs/dbraw/zinc/04/18/58/603041858.db2.gz HUVTUNQUVVYXRD-UTLUCORTSA-N -1 0 300.311 -0.177 20 0 DBADRM COc1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)nc1 ZINC000739923505 603041918 /nfs/dbraw/zinc/04/19/18/603041918.db2.gz SKPGEGBKFWKXEJ-UHFFFAOYSA-N -1 0 308.294 -0.149 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])CCO1 ZINC000739755461 603041953 /nfs/dbraw/zinc/04/19/53/603041953.db2.gz HUVTUNQUVVYXRD-GUBZILKMSA-N -1 0 300.311 -0.177 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000738992535 603044334 /nfs/dbraw/zinc/04/43/34/603044334.db2.gz ATBCZWQUCSCKIQ-IUCAKERBSA-N -1 0 309.326 -0.312 20 0 DBADRM O=C([O-])NCCCNC(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000740650630 603046731 /nfs/dbraw/zinc/04/67/31/603046731.db2.gz VPSWXQPYMRXJID-SNVBAGLBSA-N -1 0 312.330 -0.654 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)CC(C)(C)NC(=O)[O-])C1 ZINC000739750245 603051604 /nfs/dbraw/zinc/05/16/04/603051604.db2.gz MXUMKGPGGZFMDL-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000740560967 603055543 /nfs/dbraw/zinc/05/55/43/603055543.db2.gz BHTUEIXOSBOEQJ-HHURGBBESA-N -1 0 310.310 -0.767 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000740340681 603061463 /nfs/dbraw/zinc/06/14/63/603061463.db2.gz ILWZFBYCYVFFKU-VXGBXAGGSA-N -1 0 320.349 -0.157 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCC(=O)OCc1ccccc1 ZINC000740379972 603061793 /nfs/dbraw/zinc/06/17/93/603061793.db2.gz UQZGQGSNWPBAQM-VXGBXAGGSA-N -1 0 322.317 -0.041 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739763755 603063437 /nfs/dbraw/zinc/06/34/37/603063437.db2.gz RWQNFYSJQAALHL-VIFPVBQESA-N -1 0 308.356 -0.141 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000740343449 603066621 /nfs/dbraw/zinc/06/66/21/603066621.db2.gz ZCLYMCZQZHKERZ-UWVGGRQHSA-N -1 0 300.311 -0.535 20 0 DBADRM NC(=O)Cc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000740331434 603067710 /nfs/dbraw/zinc/06/77/10/603067710.db2.gz NJFOSRBZMAGTRS-WDEREUQCSA-N -1 0 307.306 -0.234 20 0 DBADRM NC(=O)Cc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000740331424 603068026 /nfs/dbraw/zinc/06/80/26/603068026.db2.gz NJFOSRBZMAGTRS-GHMZBOCLSA-N -1 0 307.306 -0.234 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000737847032 603070060 /nfs/dbraw/zinc/07/00/60/603070060.db2.gz YHDQHUOAJSVGFV-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@@H](CNC(=O)[O-])C2CC2)C[C@H](C)O1 ZINC000739186756 603070129 /nfs/dbraw/zinc/07/01/29/603070129.db2.gz CFZJSOATNXGNNU-NGZCFLSTSA-N -1 0 321.399 -0.024 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)N2CCC[C@H]2CO)CC1 ZINC000740526809 603071709 /nfs/dbraw/zinc/07/17/09/603071709.db2.gz MKQUDZFOTJULSB-LBPRGKRZSA-N -1 0 314.386 -0.162 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)C[C@H](C)NC(=O)[O-])C2=O)n(C)n1 ZINC000830073186 603071903 /nfs/dbraw/zinc/07/19/03/603071903.db2.gz OJCFRCKYQXOOTL-WCBMZHEXSA-N -1 0 323.353 -0.004 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)Nc1ccccc1 ZINC000740380748 603072681 /nfs/dbraw/zinc/07/26/81/603072681.db2.gz ZELSRHALOMZHQB-WDEREUQCSA-N -1 0 307.306 -0.146 20 0 DBADRM C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)NC(C)(C)C ZINC000738953393 603073639 /nfs/dbraw/zinc/07/36/39/603073639.db2.gz DQDKLUKCBGCCQO-DJLDLDEBSA-N -1 0 301.343 -0.481 20 0 DBADRM C[C@H]1CN(C(=O)COCCNC(=O)[O-])C[C@H]1N1CCOCC1 ZINC000739137363 603073872 /nfs/dbraw/zinc/07/38/72/603073872.db2.gz UPWJGKPNOYXBQO-NWDGAFQWSA-N -1 0 315.370 -0.550 20 0 DBADRM CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000738715282 603074765 /nfs/dbraw/zinc/07/47/65/603074765.db2.gz SRRFDDLINOREFK-IUCAKERBSA-N -1 0 317.342 -0.260 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)NCCN1CCOCC1)C1CC1 ZINC000740609488 603077530 /nfs/dbraw/zinc/07/75/30/603077530.db2.gz HPCMEMOZAQQDLK-NSHDSACASA-N -1 0 300.359 -0.336 20 0 DBADRM O=C([O-])N1CCC[C@H]1CC(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000740733786 603077629 /nfs/dbraw/zinc/07/76/29/603077629.db2.gz ZQXLGOWXZRTYDF-ISVAXAHUSA-N -1 0 310.310 -0.671 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)NCCCNC(=O)[O-])CCO1 ZINC000739478556 603082494 /nfs/dbraw/zinc/08/24/94/603082494.db2.gz XWIQEIHLLUZMHQ-VIFPVBQESA-N -1 0 303.315 -0.382 20 0 DBADRM CN(CCCNS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC000739684199 603084269 /nfs/dbraw/zinc/08/42/69/603084269.db2.gz JCFMGHRYWJRGIB-UHFFFAOYSA-N -1 0 309.388 -0.069 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000739514797 603084618 /nfs/dbraw/zinc/08/46/18/603084618.db2.gz JLXRATJEWMLELY-VIFPVBQESA-N -1 0 307.372 -0.234 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)S(=O)(=O)N(C)C1CCOCC1 ZINC000738941262 603085214 /nfs/dbraw/zinc/08/52/14/603085214.db2.gz LYLIYTOKHMAHAW-SECBINFHSA-N -1 0 309.388 -0.070 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000739199203 603090108 /nfs/dbraw/zinc/09/01/08/603090108.db2.gz FQCPQGPCULJUOQ-YIZRAAEISA-N -1 0 315.326 -0.798 20 0 DBADRM NC(=O)CC(=O)Nc1ccc(N2CCN(C(=O)[O-])CC2)cn1 ZINC000740329437 603093197 /nfs/dbraw/zinc/09/31/97/603093197.db2.gz TVSGWEHJVWOTCS-UHFFFAOYSA-N -1 0 307.310 -0.305 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)NC1CCN(C(=O)[O-])CC1 ZINC000739189282 603094962 /nfs/dbraw/zinc/09/49/62/603094962.db2.gz LKDAKQLLVXOGAM-VIFPVBQESA-N -1 0 319.383 -0.043 20 0 DBADRM CS(=O)(=O)CCNC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739981761 603094996 /nfs/dbraw/zinc/09/49/96/603094996.db2.gz AGLZGXJDVBJPKX-UHFFFAOYSA-N -1 0 307.372 -0.091 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)NCCN(C(=O)[O-])C1CC1 ZINC000739186987 603098150 /nfs/dbraw/zinc/09/81/50/603098150.db2.gz GNPKFZZQIZURDD-SECBINFHSA-N -1 0 319.383 -0.043 20 0 DBADRM COCCNC(=O)CNC(=O)[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739830674 603098806 /nfs/dbraw/zinc/09/88/06/603098806.db2.gz INZICLPWHMLCGF-WPRPVWTQSA-N -1 0 317.342 -0.631 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCCc2ccccc2O)C(=O)C1 ZINC000740369943 603102234 /nfs/dbraw/zinc/10/22/34/603102234.db2.gz WRMGZGUYBHXXCZ-UHFFFAOYSA-N -1 0 321.333 -0.127 20 0 DBADRM Cc1nc(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)nn1-c1nc[nH]n1 ZINC000740205822 603104116 /nfs/dbraw/zinc/10/41/16/603104116.db2.gz FENPFULCQAHRCS-QMMMGPOBSA-N -1 0 320.313 -0.530 20 0 DBADRM Cn1cccc1C(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740294009 603106778 /nfs/dbraw/zinc/10/67/78/603106778.db2.gz KOTHCSBGHUVNCV-UHFFFAOYSA-N -1 0 323.305 -0.427 20 0 DBADRM COCCN(CC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C)C(=O)[O-] ZINC000739815188 603106747 /nfs/dbraw/zinc/10/67/47/603106747.db2.gz BEISUGULNWACEY-ZJUUUORDSA-N -1 0 301.343 -0.275 20 0 DBADRM COCCN(CC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C)C(=O)[O-] ZINC000739815185 603106936 /nfs/dbraw/zinc/10/69/36/603106936.db2.gz BEISUGULNWACEY-UWVGGRQHSA-N -1 0 301.343 -0.275 20 0 DBADRM Cc1noc([C@H](C)OC(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000740263071 603107926 /nfs/dbraw/zinc/10/79/26/603107926.db2.gz JYKASTWEUMHXNT-ZETCQYMHSA-N -1 0 312.282 -0.196 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000739201746 603108430 /nfs/dbraw/zinc/10/84/30/603108430.db2.gz LZCPTMMMAZNKMQ-DJLDLDEBSA-N -1 0 320.367 -0.207 20 0 DBADRM COCCN(CC(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O)C(=O)[O-] ZINC000739815128 603109184 /nfs/dbraw/zinc/10/91/84/603109184.db2.gz AEPUIFKTMSTJNV-SECBINFHSA-N -1 0 313.310 -0.981 20 0 DBADRM COCCN(CC(=O)N1CCCC[C@H]1CC(N)=O)C(=O)[O-] ZINC000739818634 603109775 /nfs/dbraw/zinc/10/97/75/603109775.db2.gz YPCZFHSCKACCFA-JTQLQIEISA-N -1 0 301.343 -0.131 20 0 DBADRM COCCN(CC(=O)N1CSC[C@@H]1C(=O)N(C)C)C(=O)[O-] ZINC000739821778 603110491 /nfs/dbraw/zinc/11/04/91/603110491.db2.gz FXYUGXJUKDCLJZ-SECBINFHSA-N -1 0 319.383 -0.398 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)CCCN1C(=O)CNC1=O ZINC000832538214 603110599 /nfs/dbraw/zinc/11/05/99/603110599.db2.gz GNALDZBGMRMHDR-VIFPVBQESA-N -1 0 312.326 -0.423 20 0 DBADRM CC[C@@H](C)NC(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739243383 603112290 /nfs/dbraw/zinc/11/22/90/603112290.db2.gz GLHWPTRMPUTETN-SECBINFHSA-N -1 0 315.326 -0.734 20 0 DBADRM COCCN(CC(=O)N[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC000739819973 603113278 /nfs/dbraw/zinc/11/32/78/603113278.db2.gz UXYQEEAFECEYEC-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000739310544 603116498 /nfs/dbraw/zinc/11/64/98/603116498.db2.gz DCQQRGFQNFRCRZ-DTWKUNHWSA-N -1 0 307.372 -0.298 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCN(C(N)=O)C1 ZINC000740014419 603116561 /nfs/dbraw/zinc/11/65/61/603116561.db2.gz AWIZLYBGAOURIJ-JGVFFNPUSA-N -1 0 304.372 -0.355 20 0 DBADRM C[C@H](NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)C(=O)N(C)C ZINC000738952579 603116779 /nfs/dbraw/zinc/11/67/79/603116779.db2.gz VMTNMGKRHMSSNJ-JTQLQIEISA-N -1 0 314.386 -0.347 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCN(C(N)=O)C1 ZINC000740009567 603116879 /nfs/dbraw/zinc/11/68/79/603116879.db2.gz AWIZLYBGAOURIJ-SFYZADRCSA-N -1 0 304.372 -0.355 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CCS(C)(=O)=O)CCN1C(=O)[O-] ZINC000826069934 603121841 /nfs/dbraw/zinc/12/18/41/603121841.db2.gz XJSIQEPSRRQXRE-QMMMGPOBSA-N -1 0 314.385 -0.955 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000738951114 603125315 /nfs/dbraw/zinc/12/53/15/603125315.db2.gz PDJBAOZVVVXEBN-APPZFPTMSA-N -1 0 307.372 -0.235 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)OCC(=O)NC(=O)NC1CC1 ZINC000740576583 603128408 /nfs/dbraw/zinc/12/84/08/603128408.db2.gz AVEAXISDNFESOZ-RKDXNWHRSA-N -1 0 313.310 -0.046 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000829018129 603130112 /nfs/dbraw/zinc/13/01/12/603130112.db2.gz KPYIFEPQYWLJMT-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000828971363 603130218 /nfs/dbraw/zinc/13/02/18/603130218.db2.gz WXWNICORFQDMAH-NXEZZACHSA-N -1 0 309.388 -0.165 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCOCC1 ZINC000832481240 603130526 /nfs/dbraw/zinc/13/05/26/603130526.db2.gz HJKZDWBTXBNWLN-VHSXEESVSA-N -1 0 307.372 -0.411 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)CC(C)(C)NC(=O)[O-])n1 ZINC000739619144 603136151 /nfs/dbraw/zinc/13/61/51/603136151.db2.gz LUSCSOXVBANRJT-UHFFFAOYSA-N -1 0 312.330 -0.001 20 0 DBADRM O=C([O-])N1CCN(CC(=O)OCCc2cccnc2)C(=O)C1 ZINC000740373050 603145526 /nfs/dbraw/zinc/14/55/26/603145526.db2.gz IVZVWBNSPZRIPT-UHFFFAOYSA-N -1 0 307.306 -0.011 20 0 DBADRM Cc1csc(=O)n1CCOC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000740204693 603147614 /nfs/dbraw/zinc/14/76/14/603147614.db2.gz LZJJPHWURNGRSP-DTWKUNHWSA-N -1 0 316.335 -0.125 20 0 DBADRM O=C([O-])N1CCN(Cc2nc(Cn3cccn3)no2)C(=O)C1 ZINC000740526701 603148660 /nfs/dbraw/zinc/14/86/60/603148660.db2.gz HSYBDQDDSCRYMM-UHFFFAOYSA-N -1 0 306.282 -0.363 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)NCC1CCC1 ZINC000740374487 603153233 /nfs/dbraw/zinc/15/32/33/603153233.db2.gz AVGWEXMGWQDHTE-NXEZZACHSA-N -1 0 300.311 -0.441 20 0 DBADRM CN(CC1CC1)C(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739632331 603158135 /nfs/dbraw/zinc/15/81/35/603158135.db2.gz BUHNQPUXCFYDML-NXEZZACHSA-N -1 0 300.311 -0.489 20 0 DBADRM C[C@@H]1CCCN(C(=O)COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000739101082 603161119 /nfs/dbraw/zinc/16/11/19/603161119.db2.gz BOSIPGSWENSNGZ-GMTAPVOTSA-N -1 0 314.338 -0.099 20 0 DBADRM C[C@@H]1CCCN(C(=O)COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000739101084 603161171 /nfs/dbraw/zinc/16/11/71/603161171.db2.gz BOSIPGSWENSNGZ-OUAUKWLOSA-N -1 0 314.338 -0.099 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)OC[C@H]1CCN(C(=O)[O-])C1 ZINC000740356707 603163478 /nfs/dbraw/zinc/16/34/78/603163478.db2.gz HGPKIDJZJPLDKZ-JTQLQIEISA-N -1 0 320.367 -0.045 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)CN1CCCS1(=O)=O)C(=O)[O-] ZINC000828191089 603164385 /nfs/dbraw/zinc/16/43/85/603164385.db2.gz BXUXQMMCXFVYEA-SNVBAGLBSA-N -1 0 319.383 -0.377 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)CN(C)S(C)(=O)=O)C(=O)[O-] ZINC000828192916 603164464 /nfs/dbraw/zinc/16/44/64/603164464.db2.gz YBTFZPMHUOYXKX-VIFPVBQESA-N -1 0 307.372 -0.521 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)CC[C@H]1NC(=O)NC1=O)C(=O)[O-] ZINC000828185861 603165760 /nfs/dbraw/zinc/16/57/60/603165760.db2.gz GOILFZBJQAFCHY-RKDXNWHRSA-N -1 0 312.326 -0.425 20 0 DBADRM O=C(CN1CCCS1(=O)=O)OC[C@@H]1CCN(C(=O)[O-])C1 ZINC000740368756 603169759 /nfs/dbraw/zinc/16/97/59/603169759.db2.gz KJLVKPZGTQERML-SECBINFHSA-N -1 0 306.340 -0.435 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000738165655 603172771 /nfs/dbraw/zinc/17/27/71/603172771.db2.gz YHAYHUJMBIBCQP-QMMMGPOBSA-N -1 0 324.428 -0.858 20 0 DBADRM Cn1c2ncn(C[C@H]3CCN(C(=O)[O-])C3)c2c(=O)n(C)c1=O ZINC000740275616 603180878 /nfs/dbraw/zinc/18/08/78/603180878.db2.gz STXLADFIQHJRRE-QMMMGPOBSA-N -1 0 307.310 -0.566 20 0 DBADRM Cn1ccnc(N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c1=O ZINC000831027205 603183560 /nfs/dbraw/zinc/18/35/60/603183560.db2.gz WLCHVVIMMJTCBA-JTQLQIEISA-N -1 0 323.353 -0.620 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000739046130 603186069 /nfs/dbraw/zinc/18/60/69/603186069.db2.gz MVJOMXPMLJYELX-NXEZZACHSA-N -1 0 303.384 -0.436 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000739673337 603188274 /nfs/dbraw/zinc/18/82/74/603188274.db2.gz DCWGHBBHYJRGFL-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM CCN1C(=S)N=NC1CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739565789 603192463 /nfs/dbraw/zinc/19/24/63/603192463.db2.gz YHDSXUGWWFJBLJ-RNFRBKRXSA-N -1 0 315.355 -0.684 20 0 DBADRM C[C@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CCN1C(=O)[O-] ZINC000826088341 603194533 /nfs/dbraw/zinc/19/45/33/603194533.db2.gz XCZUWERIYIIBEP-ZETCQYMHSA-N -1 0 322.325 -0.439 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736261940 603195038 /nfs/dbraw/zinc/19/50/38/603195038.db2.gz ACJBZLYHGQXXKK-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)CN(C)C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825794122 603206521 /nfs/dbraw/zinc/20/65/21/603206521.db2.gz GNKDEWIZZYKGQV-SCZZXKLOSA-N -1 0 309.326 -0.360 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739990511 603210442 /nfs/dbraw/zinc/21/04/42/603210442.db2.gz GRXCVKDLJUBDHU-SECBINFHSA-N -1 0 319.383 -0.474 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC000739355428 603212075 /nfs/dbraw/zinc/21/20/75/603212075.db2.gz KEYHWIJLWROAPU-SECBINFHSA-N -1 0 304.310 -0.075 20 0 DBADRM C[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)c1cnn(C)c1 ZINC000738960438 603212361 /nfs/dbraw/zinc/21/23/61/603212361.db2.gz HUWOGECLGWHCLK-VIFPVBQESA-N -1 0 309.326 -0.581 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739740819 603218661 /nfs/dbraw/zinc/21/86/61/603218661.db2.gz TZSKNVXBRGUQNQ-SNVBAGLBSA-N -1 0 312.370 -0.687 20 0 DBADRM Cc1ncc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)s1 ZINC000826330034 608095738 /nfs/dbraw/zinc/09/57/38/608095738.db2.gz CMXOPVSBIWIRGG-UHFFFAOYSA-N -1 0 305.323 -0.460 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739984988 603224228 /nfs/dbraw/zinc/22/42/28/603224228.db2.gz RZJIMPSRNODENY-SECBINFHSA-N -1 0 308.356 -0.836 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)CN(CC)C(=O)[O-])CC1 ZINC000739465705 603225249 /nfs/dbraw/zinc/22/52/49/603225249.db2.gz IRYGNXLTLJCVEY-UHFFFAOYSA-N -1 0 315.326 -0.780 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000739675650 603236623 /nfs/dbraw/zinc/23/66/23/603236623.db2.gz XSGGUFCOZXPPEB-UHFFFAOYSA-N -1 0 322.387 -0.982 20 0 DBADRM CN1C(=O)N[C@@]2(CCN(C(=O)[C@H]3CCN(C(=O)[O-])C3)C2)C1=O ZINC000739730426 603237070 /nfs/dbraw/zinc/23/70/70/603237070.db2.gz URGAXEXAMZHRBI-ISVAXAHUSA-N -1 0 310.310 -0.861 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739994582 603237371 /nfs/dbraw/zinc/23/73/71/603237371.db2.gz JODCHMMIGDPVCO-UWVGGRQHSA-N -1 0 321.399 -0.132 20 0 DBADRM CS(=O)(=O)NCCNC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739995496 603237449 /nfs/dbraw/zinc/23/74/49/603237449.db2.gz NAKCSSDEHMCZNS-BDAKNGLRSA-N -1 0 307.372 -0.522 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000739597771 603239432 /nfs/dbraw/zinc/23/94/32/603239432.db2.gz WKQVODOTLRYCSN-VIFPVBQESA-N -1 0 309.326 -0.090 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)COCCNC(=O)[O-] ZINC000739072322 603242677 /nfs/dbraw/zinc/24/26/77/603242677.db2.gz CLFOMCPDRIMICP-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)CN(CC1CC1)C(=O)[O-] ZINC000828096159 603247518 /nfs/dbraw/zinc/24/75/18/603247518.db2.gz YCWVBVPMSAIUNK-UHFFFAOYSA-N -1 0 313.354 -0.306 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3CCN(C(=O)[O-])C3)C2=O)cn1 ZINC000740291110 603252795 /nfs/dbraw/zinc/25/27/95/603252795.db2.gz PGYVOIFYSXTKQP-MWLCHTKSSA-N -1 0 321.337 -0.359 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738153108 603255519 /nfs/dbraw/zinc/25/55/19/603255519.db2.gz KNUHAGUQNPTNOL-SECBINFHSA-N -1 0 307.372 -0.137 20 0 DBADRM CN1CCO[C@@H](CNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000737530323 603258655 /nfs/dbraw/zinc/25/86/55/603258655.db2.gz TYODUCNNJKFTEP-MNOVXSKESA-N -1 0 300.359 -0.241 20 0 DBADRM CN(CCCNC(=O)[C@@H]1CCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000739669459 603277046 /nfs/dbraw/zinc/27/70/46/603277046.db2.gz BWJFQCWINIBQCQ-SECBINFHSA-N -1 0 307.372 -0.616 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000827475652 603278842 /nfs/dbraw/zinc/27/88/42/603278842.db2.gz MVBBSONATHXNAL-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCCCNC(=O)[O-] ZINC000739071670 603283524 /nfs/dbraw/zinc/28/35/24/603283524.db2.gz BOYLMEBCQVZONM-RKDXNWHRSA-N -1 0 307.372 -0.139 20 0 DBADRM CSC[C@@H](C)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740000076 603283605 /nfs/dbraw/zinc/28/36/05/603283605.db2.gz RUHHHSBFYROVKR-SECBINFHSA-N -1 0 318.399 -0.141 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N(C)CCCNC(=O)[O-] ZINC000739514985 603284244 /nfs/dbraw/zinc/28/42/44/603284244.db2.gz JNZXCDGYBKHXFU-UHFFFAOYSA-N -1 0 310.376 -0.775 20 0 DBADRM COCCN(CC(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C)C(=O)[O-] ZINC000739824464 603294364 /nfs/dbraw/zinc/29/43/64/603294364.db2.gz YBGHCSUBMWOVBA-ARNPGYACSA-N -1 0 306.384 -0.019 20 0 DBADRM COCCN(CC(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C)C(=O)[O-] ZINC000739824466 603294367 /nfs/dbraw/zinc/29/43/67/603294367.db2.gz YBGHCSUBMWOVBA-VUPYVKPUSA-N -1 0 306.384 -0.019 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736606360 603298956 /nfs/dbraw/zinc/29/89/56/603298956.db2.gz AIMVSEKNAYPQNP-RKDXNWHRSA-N -1 0 307.372 -0.139 20 0 DBADRM O=C([O-])NC1(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)CCCCC1 ZINC000740532167 603299262 /nfs/dbraw/zinc/29/92/62/603299262.db2.gz CYQDCYFKJQAOEY-AWEZNQCLSA-N -1 0 324.337 -0.233 20 0 DBADRM CN(C(=O)N[C@H]1CCCN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000737327588 603299906 /nfs/dbraw/zinc/29/99/06/603299906.db2.gz QFZFPADGWSXESO-UWVGGRQHSA-N -1 0 319.383 -0.043 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])c1=O ZINC000740275942 603303311 /nfs/dbraw/zinc/30/33/11/603303311.db2.gz YSDHYGWWRFNAKK-UWVGGRQHSA-N -1 0 324.337 -0.901 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)NCCS(C)(=O)=O)C(=O)[O-] ZINC000828198662 603305024 /nfs/dbraw/zinc/30/50/24/603305024.db2.gz IRGFULBCUGRAMA-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM CS(=O)(=O)CCNC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000829675396 603305435 /nfs/dbraw/zinc/30/54/35/603305435.db2.gz WUATZLBUGZYNCQ-BDAKNGLRSA-N -1 0 307.372 -0.234 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)NCC2(O)CCOCC2)C1 ZINC000739407711 603307232 /nfs/dbraw/zinc/30/72/32/603307232.db2.gz SNIOJPBEZIHLBF-SNVBAGLBSA-N -1 0 301.343 -0.031 20 0 DBADRM C[C@H](CC(=O)NCCS(=O)(=O)NC(C)(C)C)NC(=O)[O-] ZINC000824655361 603311257 /nfs/dbraw/zinc/31/12/57/603311257.db2.gz KDZHPZZHOCRYLU-MRVPVSSYSA-N -1 0 309.388 -0.133 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000827242288 603316600 /nfs/dbraw/zinc/31/66/00/603316600.db2.gz OONNAXDPODJCEW-LLVKDONJSA-N -1 0 314.386 -0.297 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000739993260 603317830 /nfs/dbraw/zinc/31/78/30/603317830.db2.gz XYQOSZIGBVYYML-BDAKNGLRSA-N -1 0 305.356 -0.864 20 0 DBADRM NC(=O)C1(CNC(=O)C[C@@H]2CCCN2C(=O)[O-])CCOCC1 ZINC000831167093 603319680 /nfs/dbraw/zinc/31/96/80/603319680.db2.gz IRGBKKGDWGZBKT-JTQLQIEISA-N -1 0 313.354 -0.083 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)O[C@H]1CCN(C(=O)[O-])C1 ZINC000739990579 603328747 /nfs/dbraw/zinc/32/87/47/603328747.db2.gz HSLIPFDPCZNFKO-DTWKUNHWSA-N -1 0 306.340 -0.294 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000823562425 603331007 /nfs/dbraw/zinc/33/10/07/603331007.db2.gz VATTVDZIEDCHQL-SNVBAGLBSA-N -1 0 300.359 -0.687 20 0 DBADRM C[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739126462 603338236 /nfs/dbraw/zinc/33/82/36/603338236.db2.gz QDDHMTWVOFJLGB-DTWKUNHWSA-N -1 0 307.372 -0.618 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739839108 603347156 /nfs/dbraw/zinc/34/71/56/603347156.db2.gz VCQRSNRMFZAUEM-UWVGGRQHSA-N -1 0 322.383 -0.448 20 0 DBADRM C[C@H]1CN(CC(=O)NCC(=O)N2CCCC2)CCN1C(=O)[O-] ZINC000739169939 603364664 /nfs/dbraw/zinc/36/46/64/603364664.db2.gz GIWYODSFIBXGEC-NSHDSACASA-N -1 0 312.370 -0.591 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCCn1cccn1 ZINC000739683213 603366966 /nfs/dbraw/zinc/36/69/66/603366966.db2.gz GDTHSSAQVZLZER-UHFFFAOYSA-N -1 0 324.385 -0.180 20 0 DBADRM C[C@H]1CN(C(=S)NCCS(C)(=O)=O)CCN1C(=O)[O-] ZINC000739171861 603373853 /nfs/dbraw/zinc/37/38/53/603373853.db2.gz HQBFHBFILWZBTN-QMMMGPOBSA-N -1 0 309.413 -0.410 20 0 DBADRM CN(C)C(=O)CNC(=S)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000739598435 603375447 /nfs/dbraw/zinc/37/54/47/603375447.db2.gz ZZTMAJHXOPTCIU-BDAKNGLRSA-N -1 0 302.400 -0.025 20 0 DBADRM CS(=O)(=O)CCNC(=S)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000739984965 603376078 /nfs/dbraw/zinc/37/60/78/603376078.db2.gz RRRXWWVDAXHVPM-DTWKUNHWSA-N -1 0 323.440 -0.069 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739138119 603377210 /nfs/dbraw/zinc/37/72/10/603377210.db2.gz VWAVZLMRZJZEQH-NXEZZACHSA-N -1 0 319.383 -0.474 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCC[C@@H](NC(=O)[O-])C2)S1 ZINC000831240798 603383331 /nfs/dbraw/zinc/38/33/31/603383331.db2.gz QHQXTLCMTXUNDB-RNFRBKRXSA-N -1 0 300.340 -0.199 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)n1 ZINC000739781265 603393560 /nfs/dbraw/zinc/39/35/60/603393560.db2.gz UESDQSDDOULIEW-UWVGGRQHSA-N -1 0 324.337 -0.035 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)n1 ZINC000739781263 603393836 /nfs/dbraw/zinc/39/38/36/603393836.db2.gz UESDQSDDOULIEW-NXEZZACHSA-N -1 0 324.337 -0.035 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCCN(C(=O)[O-])CC2)n(C)n1 ZINC000738235121 603396020 /nfs/dbraw/zinc/39/60/20/603396020.db2.gz OPWQHQWYCXKPTA-UHFFFAOYSA-N -1 0 309.326 -0.121 20 0 DBADRM CC(C)[C@H](CNC(=S)NCCS(C)(=O)=O)NC(=O)[O-] ZINC000738794470 603397290 /nfs/dbraw/zinc/39/72/90/603397290.db2.gz QMYKKKLRMVLWSH-QMMMGPOBSA-N -1 0 311.429 -0.213 20 0 DBADRM Cn1ccc(NC(=O)C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000740293174 603406776 /nfs/dbraw/zinc/40/67/76/603406776.db2.gz LXOQEXPGRAVIPC-VIFPVBQESA-N -1 0 309.326 -0.135 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)cn1 ZINC000740232619 603407907 /nfs/dbraw/zinc/40/79/07/603407907.db2.gz QKTIHGKBMKNGAS-VIFPVBQESA-N -1 0 307.310 -0.160 20 0 DBADRM CC(C)[C@H](CNC(=O)CN1CCCS1(=O)=O)NC(=O)[O-] ZINC000738775895 603409000 /nfs/dbraw/zinc/40/90/00/603409000.db2.gz COWVDDNMNYKGNQ-VIFPVBQESA-N -1 0 307.372 -0.570 20 0 DBADRM CN(C[C@H]1CCN(C(=O)C(=O)Nc2ccn(C)n2)C1)C(=O)[O-] ZINC000739640170 603411615 /nfs/dbraw/zinc/41/16/15/603411615.db2.gz FRYHZNIKIHBOMC-SECBINFHSA-N -1 0 309.326 -0.183 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)NC(=O)[O-] ZINC000738777488 603413579 /nfs/dbraw/zinc/41/35/79/603413579.db2.gz MZPRKNNPSXXJIW-UWVGGRQHSA-N -1 0 321.399 -0.181 20 0 DBADRM NC(=O)Cn1cc(C(=O)NC[C@H]2CCCCN2C(=O)[O-])nn1 ZINC000831200024 603417976 /nfs/dbraw/zinc/41/79/76/603417976.db2.gz QNDRNZZWIIPKCS-MRVPVSSYSA-N -1 0 310.314 -0.974 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)C[C@H](C)N1C(=O)[O-] ZINC000739119983 603420964 /nfs/dbraw/zinc/42/09/64/603420964.db2.gz IFUGMYLAPPAGTI-IUCAKERBSA-N -1 0 309.326 -0.042 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)n(C)n1 ZINC000738410151 603421604 /nfs/dbraw/zinc/42/16/04/603421604.db2.gz FCRAFULDEOFYCB-SECBINFHSA-N -1 0 309.326 -0.074 20 0 DBADRM CCN(CC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC000739389673 603423330 /nfs/dbraw/zinc/42/33/30/603423330.db2.gz IGIPDIOJWNHUPJ-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CCN(CC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)C(=O)[O-] ZINC000739390346 603423554 /nfs/dbraw/zinc/42/35/54/603423554.db2.gz NYTZYUOFHXQTJJ-SNVBAGLBSA-N -1 0 321.399 -0.226 20 0 DBADRM CCN(CC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000739392444 603426421 /nfs/dbraw/zinc/42/64/21/603426421.db2.gz KHCPBMNSTYUILO-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])c(=O)[nH]c1=O ZINC000740279011 603435528 /nfs/dbraw/zinc/43/55/28/603435528.db2.gz BLRVQJXHDUJOOB-APPZFPTMSA-N -1 0 310.310 -0.348 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])c(=O)[nH]c1=O ZINC000740279024 603435630 /nfs/dbraw/zinc/43/56/30/603435630.db2.gz BLRVQJXHDUJOOB-IONNQARKSA-N -1 0 310.310 -0.348 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828096213 603435695 /nfs/dbraw/zinc/43/56/95/603435695.db2.gz ZZBQSDMMRIVJBC-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)OCC(=O)N2CCOCC2)C1 ZINC000832297855 603438193 /nfs/dbraw/zinc/43/81/93/603438193.db2.gz QQFFJWNJJXJOMY-VHSXEESVSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)OCCN1C(=O)CCC1=O ZINC000831542006 603443702 /nfs/dbraw/zinc/44/37/02/603443702.db2.gz MAPGQPAKJCZGCT-UHFFFAOYSA-N -1 0 300.267 -0.943 20 0 DBADRM C[C@@H](OC(=O)COC1CN(C(=O)[O-])C1)C(=O)Nc1ncccn1 ZINC000825591933 603444193 /nfs/dbraw/zinc/44/41/93/603444193.db2.gz CRASNYKXKQKSOX-MRVPVSSYSA-N -1 0 324.293 -0.274 20 0 DBADRM CC(C)[C@@H](OC(=O)COC1CN(C(=O)[O-])C1)C(=O)NC(N)=O ZINC000824150472 603444269 /nfs/dbraw/zinc/44/42/69/603444269.db2.gz NYSOFJLNSRDOLX-SECBINFHSA-N -1 0 317.298 -0.872 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000824958484 603446063 /nfs/dbraw/zinc/44/60/63/603446063.db2.gz ABMSNKIYGCAFCP-DTWKUNHWSA-N -1 0 309.326 -0.123 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NCCC(=O)N2CCOCC2)C1 ZINC000832261966 603447033 /nfs/dbraw/zinc/44/70/33/603447033.db2.gz HIZDUANRIVTFQB-GHMZBOCLSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NCCC(=O)N2CCOCC2)C1 ZINC000832261969 603447323 /nfs/dbraw/zinc/44/73/23/603447323.db2.gz HIZDUANRIVTFQB-WDEREUQCSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C(COC(=O)COC1CN(C(=O)[O-])C1)NC[C@@H]1CCCO1 ZINC000831508033 603449796 /nfs/dbraw/zinc/44/97/96/603449796.db2.gz UWDGDCMGHFJSJL-VIFPVBQESA-N -1 0 316.310 -0.796 20 0 DBADRM CCN(CC(=O)N1CCN(CCn2cncn2)CC1)C(=O)[O-] ZINC000826996601 603450445 /nfs/dbraw/zinc/45/04/45/603450445.db2.gz DITKZLWYNCJMIB-UHFFFAOYSA-N -1 0 310.358 -0.578 20 0 DBADRM NC(=O)Cn1cc(C(=O)OC[C@@H]2CCCCN2C(=O)[O-])nn1 ZINC000831199434 603450733 /nfs/dbraw/zinc/45/07/33/603450733.db2.gz CDDUCWKGMUKLOH-QMMMGPOBSA-N -1 0 311.298 -0.547 20 0 DBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CCCNC(=O)[O-] ZINC000826075650 603462368 /nfs/dbraw/zinc/46/23/68/603462368.db2.gz ZWDTYROTHLFMIR-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000827519288 603462532 /nfs/dbraw/zinc/46/25/32/603462532.db2.gz SOMLQPCVQVZNDP-GUBZILKMSA-N -1 0 321.399 -0.181 20 0 DBADRM CCN(CC(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C)C(=O)[O-] ZINC000827002630 603462950 /nfs/dbraw/zinc/46/29/50/603462950.db2.gz OGOCPKSFJYMYNS-VHSXEESVSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)NCC(C)(C)NC(=O)[O-])C[C@H](C)O1 ZINC000826075632 603470297 /nfs/dbraw/zinc/47/02/97/603470297.db2.gz ZTGATOOHBWLHIF-DTORHVGOSA-N -1 0 309.388 -0.024 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NC[C@@H](O)C1CCOCC1 ZINC000831529881 603472893 /nfs/dbraw/zinc/47/28/93/603472893.db2.gz SOSIJQGLCQTTON-LLVKDONJSA-N -1 0 302.327 -0.731 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000828543423 603473475 /nfs/dbraw/zinc/47/34/75/603473475.db2.gz VJGLNXDBLIUJSR-MNOVXSKESA-N -1 0 312.370 -0.687 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)NCCCNC(=O)[O-])CC1 ZINC000823748844 603480697 /nfs/dbraw/zinc/48/06/97/603480697.db2.gz GYMINJPXZRYTHA-UHFFFAOYSA-N -1 0 315.374 -0.765 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000828881337 603488216 /nfs/dbraw/zinc/48/82/16/603488216.db2.gz XBSGADWMYPRWDB-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM COC(=O)c1cn(CC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)nn1 ZINC000828805428 603492165 /nfs/dbraw/zinc/49/21/65/603492165.db2.gz XWKISFCNWKSSJH-MRVPVSSYSA-N -1 0 311.298 -0.677 20 0 DBADRM COC(=O)c1cn(CC(=O)NC[C@H](NC(=O)[O-])C(C)C)nn1 ZINC000828804820 603492422 /nfs/dbraw/zinc/49/24/22/603492422.db2.gz RPPQOIYMQFKRGT-QMMMGPOBSA-N -1 0 313.314 -0.527 20 0 DBADRM C[C@@H](CCCO)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000824775948 603492688 /nfs/dbraw/zinc/49/26/88/603492688.db2.gz ITIKJZJMPIQQQA-JTQLQIEISA-N -1 0 316.358 -0.731 20 0 DBADRM C[S@@](=O)CCN1CCN(C[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000829699478 603495717 /nfs/dbraw/zinc/49/57/17/603495717.db2.gz KVWKTTSWBQUKBY-MPBGBICISA-N -1 0 303.428 -0.018 20 0 DBADRM CN(Cc1nc(CS(C)(=O)=O)no1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828416455 603501863 /nfs/dbraw/zinc/50/18/63/603501863.db2.gz IOQYFTGPKSYPAA-QMMMGPOBSA-N -1 0 318.355 -0.202 20 0 DBADRM CCOCCO[C@H](C)C(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000827404379 603503927 /nfs/dbraw/zinc/50/39/27/603503927.db2.gz FEIPGEKLUICOCA-NEPJUHHUSA-N -1 0 317.386 -0.162 20 0 DBADRM NC(=O)Cn1cc(C(=O)O[C@H]2CCC[C@H]2CNC(=O)[O-])nn1 ZINC000831200188 603506884 /nfs/dbraw/zinc/50/68/84/603506884.db2.gz VVTJDXMOYRVBSH-CBAPKCEASA-N -1 0 311.298 -0.644 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000737609810 603523766 /nfs/dbraw/zinc/52/37/66/603523766.db2.gz SWKZPSNVRWGYEG-RKDXNWHRSA-N -1 0 307.372 -0.442 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)C1 ZINC000831240659 603524561 /nfs/dbraw/zinc/52/45/61/603524561.db2.gz OTVJEYLLEVFJPI-LPEHRKFASA-N -1 0 319.383 -0.298 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])C1 ZINC000831240217 603524636 /nfs/dbraw/zinc/52/46/36/603524636.db2.gz MDMSNZSKCIPCRC-VHSXEESVSA-N -1 0 319.383 -0.202 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)nn1 ZINC000827966747 603535143 /nfs/dbraw/zinc/53/51/43/603535143.db2.gz OJVHRZNHRWJMOM-VIFPVBQESA-N -1 0 324.341 -0.809 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000827841578 603542808 /nfs/dbraw/zinc/54/28/08/603542808.db2.gz XFJFWVOBQRVJGL-MRVPVSSYSA-N -1 0 312.326 -0.473 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000827841579 603542902 /nfs/dbraw/zinc/54/29/02/603542902.db2.gz XFJFWVOBQRVJGL-QMMMGPOBSA-N -1 0 312.326 -0.473 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1=O ZINC000824350162 603546102 /nfs/dbraw/zinc/54/61/02/603546102.db2.gz CCURNMXYACJXGS-SDBXPKJASA-N -1 0 315.301 -0.270 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)COC3CN(C(=O)[O-])C3)CCO2)cn1 ZINC000830998953 603548437 /nfs/dbraw/zinc/54/84/37/603548437.db2.gz DPWFJORDBWRRTR-LBPRGKRZSA-N -1 0 324.337 -0.301 20 0 DBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)C3CC3)C2)CC1 ZINC000832036127 603554977 /nfs/dbraw/zinc/55/49/77/603554977.db2.gz GQSOOJDZRSOKLC-UHFFFAOYSA-N -1 0 317.367 -0.767 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000824128085 603560201 /nfs/dbraw/zinc/56/02/01/603560201.db2.gz CCFIBCUBYULHBR-NWDGAFQWSA-N -1 0 317.386 -0.570 20 0 DBADRM CC(C)(C)[S@](=O)CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000823839383 603573826 /nfs/dbraw/zinc/57/38/26/603573826.db2.gz VJGMIMAQAPMSRA-MMXNHZJYSA-N -1 0 306.384 -0.237 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)CCCNC(=O)[O-] ZINC000828579050 603585222 /nfs/dbraw/zinc/58/52/22/603585222.db2.gz HWTDNBWKHNHZDS-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM CCN(CC(=O)N1CCC[C@@H]1CS(=O)(=O)NC)C(=O)[O-] ZINC000826997164 603585336 /nfs/dbraw/zinc/58/53/36/603585336.db2.gz WESJMGQEUQJQQF-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CC[C@@H]1C(=O)NCCN1CN1CC2(CN(C(=O)[O-])C2)CC1=O ZINC000826661090 603588305 /nfs/dbraw/zinc/58/83/05/603588305.db2.gz PDTRIYLVIVWYQV-SNVBAGLBSA-N -1 0 310.354 -0.633 20 0 DBADRM O=C([O-])N1CC2(C1)CC(=O)N(CN1CCn3ccnc3C1)C2 ZINC000831864634 603592791 /nfs/dbraw/zinc/59/27/91/603592791.db2.gz XBYOLVHSLMMOKJ-UHFFFAOYSA-N -1 0 305.338 -0.132 20 0 DBADRM CNS(=O)(=O)CC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828580115 603593085 /nfs/dbraw/zinc/59/30/85/603593085.db2.gz VGMIQJKOGAHNCU-JGVFFNPUSA-N -1 0 323.371 -0.845 20 0 DBADRM C[C@@H](OC(=O)c1cn(CC(N)=O)nn1)[C@@H]1CCCN1C(=O)[O-] ZINC000825610455 603595125 /nfs/dbraw/zinc/59/51/25/603595125.db2.gz HEWTVYWWENECDG-APPZFPTMSA-N -1 0 311.298 -0.549 20 0 DBADRM C[C@H](OC(=O)c1cn(CC(N)=O)nn1)[C@@H]1CCCN1C(=O)[O-] ZINC000825610461 603595206 /nfs/dbraw/zinc/59/52/06/603595206.db2.gz HEWTVYWWENECDG-CBAPKCEASA-N -1 0 311.298 -0.549 20 0 DBADRM CNS(=O)(=O)CC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000828579712 603595809 /nfs/dbraw/zinc/59/58/09/603595809.db2.gz PGZWRNONOMLRTA-SNVBAGLBSA-N -1 0 315.351 -0.339 20 0 DBADRM CNS(=O)(=O)CC(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000828579711 603595906 /nfs/dbraw/zinc/59/59/06/603595906.db2.gz PGZWRNONOMLRTA-JTQLQIEISA-N -1 0 315.351 -0.339 20 0 DBADRM O=C([O-])N1CCN2C(=O)N(CN3CCn4cnnc4C3)C[C@@H]2C1 ZINC000832043363 603604044 /nfs/dbraw/zinc/60/40/44/603604044.db2.gz WYMBXKUDOJYRAY-JTQLQIEISA-N -1 0 321.341 -0.849 20 0 DBADRM O=C([O-])N1CCN2C(=O)N(CN3CCn4ccnc4C3)C[C@H]2C1 ZINC000832041819 603605862 /nfs/dbraw/zinc/60/58/62/603605862.db2.gz BUDMHTWHDVMYPS-LLVKDONJSA-N -1 0 320.353 -0.244 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000827847146 603611278 /nfs/dbraw/zinc/61/12/78/603611278.db2.gz UOVCOTRDIAVSLA-RKDXNWHRSA-N -1 0 305.356 -0.433 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000831245736 603615992 /nfs/dbraw/zinc/61/59/92/603615992.db2.gz MBSWVRZUWVNXHG-AEJSXWLSSA-N -1 0 319.383 -0.298 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)C(C)(C)CNC(=O)[O-])CC1 ZINC000827961209 603617761 /nfs/dbraw/zinc/61/77/61/603617761.db2.gz RDXJSSKLDUZYPW-UHFFFAOYSA-N -1 0 314.386 -0.487 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000827852485 603619105 /nfs/dbraw/zinc/61/91/05/603619105.db2.gz PYVFTDJMLKZERD-ZJUUUORDSA-N -1 0 319.383 -0.185 20 0 DBADRM COCCNC(=O)CNC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000828990099 603619895 /nfs/dbraw/zinc/61/98/95/603619895.db2.gz DQCAEPBVFOPKIZ-UHFFFAOYSA-N -1 0 301.343 -0.307 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(=O)[O-])C1 ZINC000740343731 603621379 /nfs/dbraw/zinc/62/13/79/603621379.db2.gz WGCMBKYUDAYSNG-ZJUUUORDSA-N -1 0 319.383 -0.202 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)C(C)(C)CNC(=O)[O-])CC1 ZINC000827241911 603625477 /nfs/dbraw/zinc/62/54/77/603625477.db2.gz CYUATOVGBYEKOA-UHFFFAOYSA-N -1 0 314.386 -0.440 20 0 DBADRM CN(CC(=O)NC(C)(C)C)C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000828102435 603639516 /nfs/dbraw/zinc/63/95/16/603639516.db2.gz KJVVLKULBDQHDL-DTWKUNHWSA-N -1 0 301.343 -0.527 20 0 DBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCCNC(=O)[O-] ZINC000826073982 603639785 /nfs/dbraw/zinc/63/97/85/603639785.db2.gz FWITYAYRWLRXOR-DTWKUNHWSA-N -1 0 322.387 -0.777 20 0 DBADRM CC[C@@H]1CC[C@@H](C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)O1 ZINC000826660337 603640531 /nfs/dbraw/zinc/64/05/31/603640531.db2.gz KIWGVHNVMFVOHH-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM NS(=O)(=O)CCCNC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000831247605 603641267 /nfs/dbraw/zinc/64/12/67/603641267.db2.gz ZCIKMOCPGQPDTH-UHFFFAOYSA-N -1 0 307.372 -0.391 20 0 DBADRM O=C([O-])NCCCC(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000832609025 603642190 /nfs/dbraw/zinc/64/21/90/603642190.db2.gz OKWTUFNQKLOULJ-AMIZOPFISA-N -1 0 312.326 -0.471 20 0 DBADRM NC(=O)COc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000831194129 603642164 /nfs/dbraw/zinc/64/21/64/603642164.db2.gz HBYSOLHAMWKCQT-MWLCHTKSSA-N -1 0 323.305 -0.398 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCNS(C)(=O)=O ZINC000826108573 603645431 /nfs/dbraw/zinc/64/54/31/603645431.db2.gz GYEUCIHSTWZKKH-HTQZYQBOSA-N -1 0 323.371 -0.845 20 0 DBADRM CCOC(=O)C1(O)CCN(C(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000827289464 603647799 /nfs/dbraw/zinc/64/77/99/603647799.db2.gz CGKLCKYSKAWLGH-VIFPVBQESA-N -1 0 302.327 -0.051 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000831758137 603647957 /nfs/dbraw/zinc/64/79/57/603647957.db2.gz TULWCYLHZXBIJD-UWVGGRQHSA-N -1 0 318.293 -0.286 20 0 DBADRM CC(C)(CNC(=O)CCN1CCCS1(=O)=O)NC(=O)[O-] ZINC000823911955 603648002 /nfs/dbraw/zinc/64/80/02/603648002.db2.gz CCQRRHWLDVUIRP-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)NCC(C)(C)NC(=O)[O-] ZINC000824143106 603648740 /nfs/dbraw/zinc/64/87/40/603648740.db2.gz KLXJEIFORQSVIE-QMMMGPOBSA-N -1 0 309.388 -0.277 20 0 DBADRM Cc1ncc2c(n1)CC[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])C2 ZINC000830812817 603648835 /nfs/dbraw/zinc/64/88/35/603648835.db2.gz KGDYNADGSJVMMY-GVXVVHGQSA-N -1 0 320.349 -0.128 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCN(c2cnccn2)CC1 ZINC000831273487 603652804 /nfs/dbraw/zinc/65/28/04/603652804.db2.gz RDYXYZMGHYLRMY-GHMZBOCLSA-N -1 0 321.337 -0.762 20 0 DBADRM CC(C)(CNC(=O)CCCN1C(=O)CNC1=O)NC(=O)[O-] ZINC000823906650 603653524 /nfs/dbraw/zinc/65/35/24/603653524.db2.gz KCFMLFXCOOOCCL-UHFFFAOYSA-N -1 0 300.315 -0.519 20 0 DBADRM C[C@@H]1CCCN(C(=O)CN(C)S(C)(=O)=O)[C@H]1CNC(=O)[O-] ZINC000825906755 603662796 /nfs/dbraw/zinc/66/27/96/603662796.db2.gz TXGYPOUNMAGEMW-ZJUUUORDSA-N -1 0 321.399 -0.228 20 0 DBADRM COCCN(CC(=O)NCCN1C(=S)N=NC1C)C(=O)[O-] ZINC000828976895 603663427 /nfs/dbraw/zinc/66/34/27/603663427.db2.gz XGMPDXZAVFEXBG-UHFFFAOYSA-N -1 0 317.371 -0.382 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)NC(=O)[O-] ZINC000823906909 603668057 /nfs/dbraw/zinc/66/80/57/603668057.db2.gz LODDUJLCBAPZPM-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM CC1(C)CN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CCS1(=O)=O ZINC000825719804 603671845 /nfs/dbraw/zinc/67/18/45/603671845.db2.gz WZWYXEGZDJZOLJ-VIFPVBQESA-N -1 0 319.383 -0.043 20 0 DBADRM COC(=O)N1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000828703433 603680892 /nfs/dbraw/zinc/68/08/92/603680892.db2.gz BJKKRTFLGOCLKX-RKDXNWHRSA-N -1 0 301.299 -0.990 20 0 DBADRM C[C@@H](CC(=O)N1CCN(C(C)(C)C(N)=O)CC1)NC(=O)[O-] ZINC000824590768 603682627 /nfs/dbraw/zinc/68/26/27/603682627.db2.gz MNBDIVGAVYUGPJ-VIFPVBQESA-N -1 0 300.359 -0.559 20 0 DBADRM COCCN1C[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)CC1=O ZINC000828984423 603689314 /nfs/dbraw/zinc/68/93/14/603689314.db2.gz DVNITEIOBWHORZ-GHMZBOCLSA-N -1 0 313.354 -0.308 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000832550815 603689581 /nfs/dbraw/zinc/68/95/81/603689581.db2.gz FHRTUXHQDCBZNH-UWVGGRQHSA-N -1 0 319.383 -0.137 20 0 DBADRM COC(=O)N1CCC(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000828705485 603693512 /nfs/dbraw/zinc/69/35/12/603693512.db2.gz VYJRMKOZKKGLGJ-NXEZZACHSA-N -1 0 315.326 -0.553 20 0 DBADRM COC(=O)N1CCC(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000828705487 603693679 /nfs/dbraw/zinc/69/36/79/603693679.db2.gz VYJRMKOZKKGLGJ-VHSXEESVSA-N -1 0 315.326 -0.553 20 0 DBADRM COCCOCCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000829002322 603695042 /nfs/dbraw/zinc/69/50/42/603695042.db2.gz RLNOCUBKNRRDQM-UHFFFAOYSA-N -1 0 317.386 -0.160 20 0 DBADRM NC(=O)c1nccnc1C(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000831241704 603695763 /nfs/dbraw/zinc/69/57/63/603695763.db2.gz XNOPYGKGEYWEME-QMMMGPOBSA-N -1 0 307.310 -0.305 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(C)(C)CNC(=O)[O-] ZINC000828580277 603702229 /nfs/dbraw/zinc/70/22/29/603702229.db2.gz XNPHFCBDVDGWKC-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM Cn1ccc(CNC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000831019167 603703332 /nfs/dbraw/zinc/70/33/32/603703332.db2.gz XZVJKNPJOBBOOQ-UHFFFAOYSA-N -1 0 323.353 -0.354 20 0 DBADRM C[C@@H]1CCCN(CC(=O)N2CCNC(=O)C2)[C@H]1CNC(=O)[O-] ZINC000825918035 603707525 /nfs/dbraw/zinc/70/75/25/603707525.db2.gz BJPPZOTVQKGUEH-MNOVXSKESA-N -1 0 312.370 -0.687 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCCO[C@H]1CCOC1 ZINC000831681054 603715499 /nfs/dbraw/zinc/71/54/99/603715499.db2.gz PNNSDVLGJBJBQL-QWRGUYRKSA-N -1 0 302.327 -0.323 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000831283515 603719362 /nfs/dbraw/zinc/71/93/62/603719362.db2.gz OJNNMANPUUYVPI-QJPTWQEYSA-N -1 0 314.338 -0.228 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000832662084 603719838 /nfs/dbraw/zinc/71/98/38/603719838.db2.gz IFNWRAVHABVCPO-QWRGUYRKSA-N -1 0 302.327 -0.323 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)C1 ZINC000831858887 603720674 /nfs/dbraw/zinc/72/06/74/603720674.db2.gz QDKVWHVGKPUUBQ-RYUDHWBXSA-N -1 0 314.338 -0.228 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1)C(=O)N(C)C ZINC000829788235 603725071 /nfs/dbraw/zinc/72/50/71/603725071.db2.gz XZJZBJZVCLLECJ-SSDOTTSWSA-N -1 0 323.309 -0.297 20 0 DBADRM NC(=O)c1nccnc1C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000831241765 603725432 /nfs/dbraw/zinc/72/54/32/603725432.db2.gz YDCNAKAREBCBQE-MRVPVSSYSA-N -1 0 307.310 -0.305 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000831259789 603725590 /nfs/dbraw/zinc/72/55/90/603725590.db2.gz HQOBNCDGQBWGGH-ZCFIWIBFSA-N -1 0 311.298 -0.410 20 0 DBADRM Cn1ccnc(N2CCN(C(=O)C(C)(C)NC(=O)[O-])CC2)c1=O ZINC000831026935 603725965 /nfs/dbraw/zinc/72/59/65/603725965.db2.gz RIWRROMKQCWPAN-UHFFFAOYSA-N -1 0 323.353 -0.525 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)NC2CCN(C(=O)[O-])CC2)cn1 ZINC000830992797 603732524 /nfs/dbraw/zinc/73/25/24/603732524.db2.gz BEAONWFFBGIQLU-NSHDSACASA-N -1 0 311.342 -0.105 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)NCCN(C)C(=O)[O-])CC1 ZINC000828656511 603732685 /nfs/dbraw/zinc/73/26/85/603732685.db2.gz SQZBICLFZZHCNC-UHFFFAOYSA-N -1 0 308.356 -0.141 20 0 DBADRM C[C@H]1CN(C(=O)NCCCS(C)(=O)=O)CCN1C(=O)[O-] ZINC000826001980 603733184 /nfs/dbraw/zinc/73/31/84/603733184.db2.gz OYOMUCFUZMLOIU-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000824020889 603736724 /nfs/dbraw/zinc/73/67/24/603736724.db2.gz YUFUAWUCMHKMLZ-BDAKNGLRSA-N -1 0 321.399 -0.133 20 0 DBADRM C[C@@H](CC[S@@](C)=O)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824809986 603737300 /nfs/dbraw/zinc/73/73/00/603737300.db2.gz NKLYUGVVMKIKDK-JLTPVHFHSA-N -1 0 319.383 -0.918 20 0 DBADRM CCC[C@@H](CCO)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000826736895 603737376 /nfs/dbraw/zinc/73/73/76/603737376.db2.gz XHTXHMMLDJXOCV-NSHDSACASA-N -1 0 315.370 -0.277 20 0 DBADRM COC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000828633442 603739084 /nfs/dbraw/zinc/73/90/84/603739084.db2.gz WCISHILSDSCPGD-OPRDCNLKSA-N -1 0 300.311 -0.489 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])CC2 ZINC000830799363 603739150 /nfs/dbraw/zinc/73/91/50/603739150.db2.gz MUPFBMSAOWMIBF-UTLUCORTSA-N -1 0 309.326 -0.869 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])n1 ZINC000828698876 603742322 /nfs/dbraw/zinc/74/23/22/603742322.db2.gz ABPZQKDYULMBKK-JGVFFNPUSA-N -1 0 312.282 -0.892 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828639308 603743995 /nfs/dbraw/zinc/74/39/95/603743995.db2.gz FZXYSLYUKMGARP-AEJSXWLSSA-N -1 0 300.311 -0.177 20 0 DBADRM NC(=O)Cc1csc(NC(=O)COC2CN(C(=O)[O-])C2)n1 ZINC000831199783 603744296 /nfs/dbraw/zinc/74/42/96/603744296.db2.gz JDIRAPZCRMOLHT-UHFFFAOYSA-N -1 0 314.323 -0.512 20 0 DBADRM O=C([O-])N1CCc2cc(NC(=O)C(=O)NC(CO)CO)ccc21 ZINC000831772684 603745334 /nfs/dbraw/zinc/74/53/34/603745334.db2.gz MDSYHLDAKKRWPE-UHFFFAOYSA-N -1 0 323.305 -0.865 20 0 DBADRM NC(=O)NC1CCN(C(=O)NC2CCN(C(=O)[O-])CC2)CC1 ZINC000831207852 603746059 /nfs/dbraw/zinc/74/60/59/603746059.db2.gz FRCYYPIQCCKSLY-UHFFFAOYSA-N -1 0 313.358 -0.029 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000831852385 603746189 /nfs/dbraw/zinc/74/61/89/603746189.db2.gz PDSKXLOFJPIWKI-UHFFFAOYSA-N -1 0 300.311 -0.269 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000831244882 603746918 /nfs/dbraw/zinc/74/69/18/603746918.db2.gz DOIYEBDPIMMLIR-UHFFFAOYSA-N -1 0 319.383 -0.487 20 0 DBADRM C[C@H](OC(=O)C(C)(C)CNC(=O)[O-])C(=O)N1CCNC1=O ZINC000825534333 603749549 /nfs/dbraw/zinc/74/95/49/603749549.db2.gz AYLYUJBSANDSJS-ZETCQYMHSA-N -1 0 301.299 -0.236 20 0 DBADRM O=C([O-])NC[C@H]1CCCN(C(=O)c2nc3n(n2)CCCN3)C1 ZINC000832534575 603750491 /nfs/dbraw/zinc/75/04/91/603750491.db2.gz XPFRZCUIEVCRAE-SECBINFHSA-N -1 0 308.342 -0.529 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CN(C)CCO2)CCN1C(=O)[O-] ZINC000825999988 603757958 /nfs/dbraw/zinc/75/79/58/603757958.db2.gz DPMOUXVUOPZCFY-GHMZBOCLSA-N -1 0 300.359 -0.289 20 0 DBADRM COC(=O)CSCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000828688062 603758385 /nfs/dbraw/zinc/75/83/85/603758385.db2.gz GHDUSINAXWOBEK-JGVFFNPUSA-N -1 0 306.340 -0.878 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)[C@@H]1CNC(=O)[O-] ZINC000825931785 603759653 /nfs/dbraw/zinc/75/96/53/603759653.db2.gz NAOHHFGIQGSXCW-GHMZBOCLSA-N -1 0 321.399 -0.069 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000824750201 603763670 /nfs/dbraw/zinc/76/36/70/603763670.db2.gz BTWUIQUBVBMBSG-ZCFIWIBFSA-N -1 0 309.282 -0.510 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000824755778 603763788 /nfs/dbraw/zinc/76/37/88/603763788.db2.gz ZRHKIPXBIJOLRI-QMMMGPOBSA-N -1 0 322.321 -0.227 20 0 DBADRM COC(=O)[C@]1(F)CCN(C(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000828619345 603765367 /nfs/dbraw/zinc/76/53/67/603765367.db2.gz VXNGDAFIEXFICU-PELKAZGASA-N -1 0 304.274 -0.521 20 0 DBADRM NC(=O)C[C@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)C1CCOCC1 ZINC000831178962 603766498 /nfs/dbraw/zinc/76/64/98/603766498.db2.gz OKMYZBHNTWTOSH-QWRGUYRKSA-N -1 0 313.354 -0.227 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CCCn2ncnc21 ZINC000831485805 603768348 /nfs/dbraw/zinc/76/83/48/603768348.db2.gz WUVHVCHYSQIJAC-SECBINFHSA-N -1 0 322.325 -0.949 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000829668880 603771688 /nfs/dbraw/zinc/77/16/88/603771688.db2.gz IEQCZHKNOLMBJI-MRVPVSSYSA-N -1 0 322.408 -0.020 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000824833810 603772212 /nfs/dbraw/zinc/77/22/12/603772212.db2.gz QRUSTQAYIBRFHF-VIFPVBQESA-N -1 0 301.343 -0.452 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000827960577 603772262 /nfs/dbraw/zinc/77/22/62/603772262.db2.gz LAVROVPSFMSZMN-ZDUSSCGKSA-N -1 0 317.317 -0.606 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)cnn1C ZINC000829877568 603774561 /nfs/dbraw/zinc/77/45/61/603774561.db2.gz OMLPVZRUNHIPLX-SECBINFHSA-N -1 0 309.326 -0.217 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)[O-])CCO1 ZINC000828662782 603775523 /nfs/dbraw/zinc/77/55/23/603775523.db2.gz FZYWWBOMWRJJJC-DTWKUNHWSA-N -1 0 318.351 -0.170 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)NCc1nnnn1C1CC1 ZINC000831730754 603777939 /nfs/dbraw/zinc/77/79/39/603777939.db2.gz LLRCZRFCOKWUHS-SECBINFHSA-N -1 0 309.330 -0.050 20 0 DBADRM COC1(C(=O)O[C@@H](C)C(=O)NC(N)=O)CCN(C(=O)[O-])CC1 ZINC000828864502 603778070 /nfs/dbraw/zinc/77/80/70/603778070.db2.gz HECXOCXQIPHZGF-ZETCQYMHSA-N -1 0 317.298 -0.728 20 0 DBADRM CNC(=O)Cc1noc(CN2CCC[C@@H](CNC(=O)[O-])C2)n1 ZINC000828546238 603780182 /nfs/dbraw/zinc/78/01/82/603780182.db2.gz ANBGOOCZWURWAR-VIFPVBQESA-N -1 0 311.342 -0.162 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)OCC(=O)N2CCOCC2)C1 ZINC000831914643 603782170 /nfs/dbraw/zinc/78/21/70/603782170.db2.gz MTUJRDNMSXAQNV-GFCCVEGCSA-N -1 0 304.274 -0.520 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)OCC(=O)N2CCOCC2)C1 ZINC000831914644 603782433 /nfs/dbraw/zinc/78/24/33/603782433.db2.gz MTUJRDNMSXAQNV-LBPRGKRZSA-N -1 0 304.274 -0.520 20 0 DBADRM CC(C)(NC(=O)[O-])c1noc(COC(=O)c2nonc2N)n1 ZINC000824030113 603782939 /nfs/dbraw/zinc/78/29/39/603782939.db2.gz SJNWFLYCZXBACO-UHFFFAOYSA-N -1 0 312.242 -0.106 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000829733513 603784974 /nfs/dbraw/zinc/78/49/74/603784974.db2.gz ZQEPCKSRIGXRPC-DTWKUNHWSA-N -1 0 316.383 -0.388 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)CCCNC(=O)[O-])CCN2C1=O ZINC000827200171 603786934 /nfs/dbraw/zinc/78/69/34/603786934.db2.gz RXQPHOKZHXJNEI-VIFPVBQESA-N -1 0 312.326 -0.471 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828684395 603787545 /nfs/dbraw/zinc/78/75/45/603787545.db2.gz UTLGARIGQNSVCI-JMCQJSRRSA-N -1 0 320.273 -0.701 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828684397 603787552 /nfs/dbraw/zinc/78/75/52/603787552.db2.gz UTLGARIGQNSVCI-JVXZTZIISA-N -1 0 320.273 -0.701 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)OCCN2C(=O)CCC2=O)C1 ZINC000831914680 603788178 /nfs/dbraw/zinc/78/81/78/603788178.db2.gz NMULJEBBGNRPIP-GFCCVEGCSA-N -1 0 302.258 -0.229 20 0 DBADRM CN(C)c1ncc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])n1C ZINC000828078106 603790263 /nfs/dbraw/zinc/79/02/63/603790263.db2.gz UZOIHAYZLPHFFL-VHSXEESVSA-N -1 0 311.342 -0.785 20 0 DBADRM CC[C@H](NC(=O)CCCNC(=O)[O-])C(=O)N1CCOCC1 ZINC000826601587 603790764 /nfs/dbraw/zinc/79/07/64/603790764.db2.gz UGVHMFYTJVTGMT-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM CC[C@H](NC(=O)COCCNC(=O)[O-])C(=O)N1CCOCC1 ZINC000826600425 603791017 /nfs/dbraw/zinc/79/10/17/603791017.db2.gz JCLWIWZCTWPBKJ-JTQLQIEISA-N -1 0 317.342 -0.976 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)CC1CN(C(=O)[O-])C1 ZINC000828970568 603792460 /nfs/dbraw/zinc/79/24/60/603792460.db2.gz ATCXUYXIFUJYPI-UHFFFAOYSA-N -1 0 301.343 -0.451 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828903992 603795282 /nfs/dbraw/zinc/79/52/82/603795282.db2.gz ROSZFVWBJMGHGH-UWVGGRQHSA-N -1 0 316.358 -0.469 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)CC2CN(C(=O)[O-])C2)C1 ZINC000828574046 603795314 /nfs/dbraw/zinc/79/53/14/603795314.db2.gz ZPSIVIJRIROHPO-SNVBAGLBSA-N -1 0 319.383 -0.474 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827045463 603799754 /nfs/dbraw/zinc/79/97/54/603799754.db2.gz JFGUNGOVIPAPLN-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM C[C@H](OC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)N1CCNC1=O ZINC000825544236 603800034 /nfs/dbraw/zinc/80/00/34/603800034.db2.gz KRCTVTJTUQEWFA-MADCSZMMSA-N -1 0 317.273 -0.438 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000827248511 603800526 /nfs/dbraw/zinc/80/05/26/603800526.db2.gz CMHCROMPJYJKGB-JVXZTZIISA-N -1 0 319.289 -0.144 20 0 DBADRM C[C@H]1CN(C(=O)COC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000825988866 603800557 /nfs/dbraw/zinc/80/05/57/603800557.db2.gz PIXOXHSNXXUVNZ-TVQRCGJNSA-N -1 0 318.301 -0.131 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@H]1CCCN1C(=O)[O-] ZINC000828312200 603803997 /nfs/dbraw/zinc/80/39/97/603803997.db2.gz HTFFLHKTMSRNBF-SNVBAGLBSA-N -1 0 319.383 -0.377 20 0 DBADRM CC(C)[C@@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)NC(=O)[O-] ZINC000824110219 603804741 /nfs/dbraw/zinc/80/47/41/603804741.db2.gz GAFKSVSZIQTHJO-MRVPVSSYSA-N -1 0 314.342 -0.275 20 0 DBADRM Cn1cc([C@@H]2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])C2)cn1 ZINC000830995329 603808307 /nfs/dbraw/zinc/80/83/07/603808307.db2.gz YZJQPWYFPNWZFW-JLLWLGSASA-N -1 0 308.338 -0.151 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)C1(NC(=O)[O-])CCCC1 ZINC000828684634 603809765 /nfs/dbraw/zinc/80/97/65/603809765.db2.gz ZCDYBSKEUIRYBT-QMMMGPOBSA-N -1 0 316.310 -0.212 20 0 DBADRM CNC(=O)NC(=O)[C@@H](C)OC(=O)C1(NC(=O)[O-])CCCC1 ZINC000828551730 603809981 /nfs/dbraw/zinc/80/99/81/603809981.db2.gz GGIRFIOPNKAIEZ-SSDOTTSWSA-N -1 0 301.299 -0.046 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000823568613 603810940 /nfs/dbraw/zinc/81/09/40/603810940.db2.gz QSBBQDHMNQAIEN-SCZZXKLOSA-N -1 0 316.335 -0.228 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC000826115472 603811183 /nfs/dbraw/zinc/81/11/83/603811183.db2.gz GUUFJUVCMDXUME-AXFHLTTASA-N -1 0 315.370 -0.063 20 0 DBADRM COCCOC1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000828994943 603811884 /nfs/dbraw/zinc/81/18/84/603811884.db2.gz BISRETNDMAFVMP-ZYHUDNBSSA-N -1 0 316.354 -0.246 20 0 DBADRM COCCN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C[C@H]1C ZINC000828990086 603813623 /nfs/dbraw/zinc/81/36/23/603813623.db2.gz DOQIAZQOUWSCLQ-UTUOFQBUSA-N -1 0 315.370 -0.721 20 0 DBADRM CN(C(=O)[C@]1(F)CCN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000827739605 603816997 /nfs/dbraw/zinc/81/69/97/603816997.db2.gz QFSPQAXOHLLSPL-KWQFWETISA-N -1 0 308.331 -0.276 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCC[C@H](O)C(F)(F)F ZINC000831659339 603817697 /nfs/dbraw/zinc/81/76/97/603817697.db2.gz GYYFIRZYXDZOBT-ACZMJKKPSA-N -1 0 300.233 -0.471 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000825177500 603817685 /nfs/dbraw/zinc/81/76/85/603817685.db2.gz LAHMPNJMCTVLTO-UPFKWVMWSA-N -1 0 312.326 -0.521 20 0 DBADRM CN(CC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)C(=O)[O-] ZINC000828108915 603818822 /nfs/dbraw/zinc/81/88/22/603818822.db2.gz YARQZMVHPHLYBF-AMIZOPFISA-N -1 0 312.326 -0.567 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000829797017 603819303 /nfs/dbraw/zinc/81/93/03/603819303.db2.gz LAHMPNJMCTVLTO-OTPXZMOZSA-N -1 0 312.326 -0.521 20 0 DBADRM C[C@H](NC(=O)CN1CC[C@H](N(C)C(=O)[O-])C1)C(=O)N(C)C ZINC000825122236 603819986 /nfs/dbraw/zinc/81/99/86/603819986.db2.gz QBVUIIHYVYFFSF-UWVGGRQHSA-N -1 0 300.359 -0.737 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828095848 603820421 /nfs/dbraw/zinc/82/04/21/603820421.db2.gz PFHBANLYWIBIRM-CYBMUJFWSA-N -1 0 317.317 -0.604 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000829667908 603822558 /nfs/dbraw/zinc/82/25/58/603822558.db2.gz ALDOAAWIUPRCEU-UHFFFAOYSA-N -1 0 304.368 -0.073 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)COC2CN(C(=O)[O-])C2)CCO1 ZINC000828662944 603823346 /nfs/dbraw/zinc/82/33/46/603823346.db2.gz HQSVXFKBDWAZLL-VIFPVBQESA-N -1 0 316.310 -0.844 20 0 DBADRM COCCCS(=O)(=O)NCCN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828963750 603824186 /nfs/dbraw/zinc/82/41/86/603824186.db2.gz CIGHVTRZSDBOKQ-NSHDSACASA-N -1 0 323.415 -0.374 20 0 DBADRM COC(=O)[C@H]1CCCCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000828633101 603827470 /nfs/dbraw/zinc/82/74/70/603827470.db2.gz UWCXOWYGSVFKQX-SNVBAGLBSA-N -1 0 300.311 -0.081 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)[C@H]3CCCN3C(=O)[O-])CCN2C1=O ZINC000827200015 603827776 /nfs/dbraw/zinc/82/77/76/603827776.db2.gz QVMUTZIJUWAUMI-NXEZZACHSA-N -1 0 324.337 -0.376 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[O-])CCN2C1=O ZINC000827200020 603827811 /nfs/dbraw/zinc/82/78/11/603827811.db2.gz QVMUTZIJUWAUMI-UWVGGRQHSA-N -1 0 324.337 -0.376 20 0 DBADRM C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@H]1NC(=O)[O-] ZINC000826042843 603828886 /nfs/dbraw/zinc/82/88/86/603828886.db2.gz UHHGVXMBAGKQSZ-HTQZYQBOSA-N -1 0 307.310 -0.306 20 0 DBADRM CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[O-])C(=O)N1CCOCC1 ZINC000826591544 603830583 /nfs/dbraw/zinc/83/05/83/603830583.db2.gz BJQMDUGPOWFXRP-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM CC[C@@H](NC(=O)CC1CN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000826601901 603830761 /nfs/dbraw/zinc/83/07/61/603830761.db2.gz YXUVRLWYNKAGHR-LLVKDONJSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000831282137 603830866 /nfs/dbraw/zinc/83/08/66/603830866.db2.gz BMSYZEBFALMKLG-XVKPBYJWSA-N -1 0 312.244 -0.109 20 0 DBADRM CC[C@@H](NC(=O)[C@H](CC)NC(=O)[O-])C(=O)N1CCOCC1 ZINC000826613998 603831577 /nfs/dbraw/zinc/83/15/77/603831577.db2.gz WXUCNQSFZRNSQR-VHSXEESVSA-N -1 0 301.343 -0.214 20 0 DBADRM CNC(=O)Cc1noc(CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)n1 ZINC000828546329 603833588 /nfs/dbraw/zinc/83/35/88/603833588.db2.gz CRONCJBJRPZPFI-BDAKNGLRSA-N -1 0 311.342 -0.164 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000824907882 603843830 /nfs/dbraw/zinc/84/38/30/603843830.db2.gz OZLDEPZTVIYNOI-GWCFXTLKSA-N -1 0 303.334 -0.085 20 0 DBADRM CCn1nc2c(cc1=O)CN(C(=O)NCCNC(=O)[O-])CC2 ZINC000827724882 603845308 /nfs/dbraw/zinc/84/53/08/603845308.db2.gz YTBMVYDRJSEBAP-UHFFFAOYSA-N -1 0 309.326 -0.402 20 0 DBADRM CO[C@@H]1CCN(C(=O)NCCN2CCN(C(=O)[O-])CC2)C1 ZINC000829061042 603846223 /nfs/dbraw/zinc/84/62/23/603846223.db2.gz ICWAUFWHIJIESM-LLVKDONJSA-N -1 0 300.359 -0.288 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000831189963 603846666 /nfs/dbraw/zinc/84/66/66/603846666.db2.gz IDCJJZPXHGFTFZ-CYBMUJFWSA-N -1 0 316.333 -0.902 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)cn1 ZINC000828547104 603852249 /nfs/dbraw/zinc/85/22/49/603852249.db2.gz KMIPKCKMCSYHQK-LBPRGKRZSA-N -1 0 313.289 -0.340 20 0 DBADRM CC[C@@H](NC(=O)NCCN(C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000826613688 603852275 /nfs/dbraw/zinc/85/22/75/603852275.db2.gz OPAAZWLMBXZIPB-SNVBAGLBSA-N -1 0 316.358 -0.467 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)NCCCNC(=O)[O-])CCO1 ZINC000828662926 603852919 /nfs/dbraw/zinc/85/29/19/603852919.db2.gz HHONGGLSFDMJBD-VIFPVBQESA-N -1 0 303.315 -0.382 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CCC[C@H]2CNC(=O)[O-])n1C ZINC000830887582 603862941 /nfs/dbraw/zinc/86/29/41/603862941.db2.gz ODAWCTPKRJHHAH-NSHDSACASA-N -1 0 324.385 -0.186 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828950657 603864155 /nfs/dbraw/zinc/86/41/55/603864155.db2.gz OEKPJSBZNKASKO-ZDUSSCGKSA-N -1 0 319.333 -0.311 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000831238988 603864407 /nfs/dbraw/zinc/86/44/07/603864407.db2.gz CEHIWDLFKUKJJX-GZMMTYOYSA-N -1 0 323.346 -0.642 20 0 DBADRM CNC(=O)NC(=O)COC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000828551960 603867149 /nfs/dbraw/zinc/86/71/49/603867149.db2.gz JZORIASTNAVPIT-HTQZYQBOSA-N -1 0 301.299 -0.188 20 0 DBADRM COC[C@](C)(O)CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000828898327 603868814 /nfs/dbraw/zinc/86/88/14/603868814.db2.gz XKCLHSUOAQKZIB-CQSZACIVSA-N -1 0 317.386 -0.426 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)N2CCN3C(=O)NC[C@H]3C2)C1 ZINC000831987971 603870062 /nfs/dbraw/zinc/87/00/62/603870062.db2.gz ZIDWHLBDDZCDLH-ZJUUUORDSA-N -1 0 311.342 -0.452 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000827046122 603871765 /nfs/dbraw/zinc/87/17/65/603871765.db2.gz PGVDFMHQCDAILD-JTQLQIEISA-N -1 0 321.399 -0.131 20 0 DBADRM CN(C(=S)NCCN1CCOCC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827950133 603879230 /nfs/dbraw/zinc/87/92/30/603879230.db2.gz NOBWFOZXUGBTTF-LLVKDONJSA-N -1 0 316.427 -0.123 20 0 DBADRM CC[C@@H](O)CN1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000826626234 603883500 /nfs/dbraw/zinc/88/35/00/603883500.db2.gz SYAWQDOJGZQOIN-BXUZGUMPSA-N -1 0 317.361 -0.007 20 0 DBADRM CNC(=O)CC1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000828532357 603886473 /nfs/dbraw/zinc/88/64/73/603886473.db2.gz RENINOZBSXIVGM-MNOVXSKESA-N -1 0 313.354 -0.526 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCCCN2C(=O)CNC2=O)C1 ZINC000831900865 603889219 /nfs/dbraw/zinc/88/92/19/603889219.db2.gz BTAIRWMDIIUQHP-LBPRGKRZSA-N -1 0 316.289 -0.864 20 0 DBADRM C[C@@H](C(=O)NCCN1CCN(C(=O)[O-])CC1)c1cnn(C)c1 ZINC000823691810 603889483 /nfs/dbraw/zinc/88/94/83/603889483.db2.gz BJJMCLYSVNCTPQ-LLVKDONJSA-N -1 0 309.370 -0.065 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)[C@]2(C)CCN(C(=O)[O-])C2)cn1 ZINC000828547839 603890885 /nfs/dbraw/zinc/89/08/85/603890885.db2.gz YGHZCADUNYWHGU-CYBMUJFWSA-N -1 0 309.326 -0.042 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000827228401 603898220 /nfs/dbraw/zinc/89/82/20/603898220.db2.gz OJLBAGWXAMAWIK-GXFFZTMASA-N -1 0 303.334 -0.085 20 0 DBADRM NC(=O)CCn1ccc(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)n1 ZINC000831189939 603900551 /nfs/dbraw/zinc/90/05/51/603900551.db2.gz HOQSHSFJDVKDLB-LBPRGKRZSA-N -1 0 313.289 -0.211 20 0 DBADRM C[C@]1(C(=O)NCCN2CCCS2(=O)=O)CCN(C(=O)[O-])C1 ZINC000825663924 603901203 /nfs/dbraw/zinc/90/12/03/603901203.db2.gz UBVVHJDPRRRMNX-LBPRGKRZSA-N -1 0 319.383 -0.472 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000824381125 603901408 /nfs/dbraw/zinc/90/14/08/603901408.db2.gz FGFDIQICXKHDGI-GFCCVEGCSA-N -1 0 321.399 -0.180 20 0 DBADRM Cc1cc(NC(=O)COC(=O)[C@H]2COCCN2C(=O)[O-])no1 ZINC000830107228 603905627 /nfs/dbraw/zinc/90/56/27/603905627.db2.gz IXKORLCZTWTGIF-MRVPVSSYSA-N -1 0 313.266 -0.156 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@@]3(C)CCN(C(=O)[O-])C3)C2)C1=O ZINC000828445107 603906490 /nfs/dbraw/zinc/90/64/90/603906490.db2.gz JZOYADAFNTYIQQ-KBPBESRZSA-N -1 0 324.337 -0.471 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000827300500 603906668 /nfs/dbraw/zinc/90/66/68/603906668.db2.gz VULPISQAQNMLBL-TVQRCGJNSA-N -1 0 318.301 -0.131 20 0 DBADRM CCCNC(=O)NC(=O)COC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000826925559 603907330 /nfs/dbraw/zinc/90/73/30/603907330.db2.gz JCCOPVZTEJXNCL-MRVPVSSYSA-N -1 0 317.298 -0.856 20 0 DBADRM COC[C@@H](C)S(=O)(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000828904134 603910944 /nfs/dbraw/zinc/91/09/44/603910944.db2.gz SDSWZIPWSCOFNJ-LLVKDONJSA-N -1 0 323.415 -0.374 20 0 DBADRM C[C@@H](OC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C(=O)NC(N)=O ZINC000825591977 603910821 /nfs/dbraw/zinc/91/08/21/603910821.db2.gz DUJDJAXEQDYTPW-HTQZYQBOSA-N -1 0 317.298 -0.728 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CC[C@H](N(C)C(=O)[O-])C2)n1 ZINC000828766378 603917662 /nfs/dbraw/zinc/91/76/62/603917662.db2.gz NTQQARADMFZZIQ-VIFPVBQESA-N -1 0 310.310 -0.329 20 0 DBADRM O=C([O-])N1CC(N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000831847783 603920635 /nfs/dbraw/zinc/92/06/35/603920635.db2.gz WUFXLKNUXDQGNK-UHFFFAOYSA-N -1 0 310.398 -0.021 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825509516 603922732 /nfs/dbraw/zinc/92/27/32/603922732.db2.gz QMFKWANRRIUGHB-BFARCFIYSA-N -1 0 319.383 -0.286 20 0 DBADRM CC(C)[C@@](C)(O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824063301 603924540 /nfs/dbraw/zinc/92/45/40/603924540.db2.gz BTNHLDFPBDIPDY-ZDUSSCGKSA-N -1 0 301.343 -0.668 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@]2(C)CCN(C(=O)[O-])C2)CCO1 ZINC000828639270 603926480 /nfs/dbraw/zinc/92/64/80/603926480.db2.gz FORDPVYCUHTWSR-NOZJJQNGSA-N -1 0 300.311 -0.223 20 0 DBADRM NC(=O)c1ccc(CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)cn1 ZINC000831222661 603927794 /nfs/dbraw/zinc/92/77/94/603927794.db2.gz OIICMMDAYKFKHG-CYBMUJFWSA-N -1 0 310.285 -0.111 20 0 DBADRM NC(=O)NC1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000831208527 603931703 /nfs/dbraw/zinc/93/17/03/603931703.db2.gz QWYASECKLFQHNE-GFCCVEGCSA-N -1 0 302.306 -0.262 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])C1CC1 ZINC000828646099 603939561 /nfs/dbraw/zinc/93/95/61/603939561.db2.gz DZOBMPHKPIMIIK-ZJUUUORDSA-N -1 0 300.311 -0.177 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)[C@@]1(F)CCN(C(=O)[O-])C1)CC2 ZINC000831050269 603942538 /nfs/dbraw/zinc/94/25/38/603942538.db2.gz ITXHHGJLKTVSCU-CQSZACIVSA-N -1 0 324.312 -0.243 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)[C@@]2(C)CCN(C(=O)[O-])C2)CCO1 ZINC000823579012 603946776 /nfs/dbraw/zinc/94/67/76/603946776.db2.gz CYZVNSBMTRDDTE-FZMZJTMJSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)CCc2nnc[nH]2)CC1 ZINC000831441963 603950178 /nfs/dbraw/zinc/95/01/78/603950178.db2.gz UAHYCSADBKTSQA-UHFFFAOYSA-N -1 0 310.358 -0.461 20 0 DBADRM O=C([O-])N1CCN(CC(=O)Nc2ccc3n[nH]nc3c2)C(=O)C1 ZINC000831488313 603950216 /nfs/dbraw/zinc/95/02/16/603950216.db2.gz CDUBWCLEJNJYFU-UHFFFAOYSA-N -1 0 318.293 -0.281 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000825002979 603958792 /nfs/dbraw/zinc/95/87/92/603958792.db2.gz XYYXVZACOKIOCB-DBIOUOCHSA-N -1 0 302.327 -0.590 20 0 DBADRM CC[C@H](OC)C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000826633312 603959311 /nfs/dbraw/zinc/95/93/11/603959311.db2.gz WHFBCQOHWKAKPC-QMMMGPOBSA-N -1 0 312.330 -0.032 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)COC1CN(C(=O)[O-])C1 ZINC000825000832 603960137 /nfs/dbraw/zinc/96/01/37/603960137.db2.gz BVJUTOGTUAEBQG-ZJUUUORDSA-N -1 0 302.327 -0.325 20 0 DBADRM C[C@H](CC(=O)O[C@@H](C)C(=O)NC(=O)NC1CC1)NC(=O)[O-] ZINC000824721008 603961069 /nfs/dbraw/zinc/96/10/69/603961069.db2.gz QSPIMLRXPHCWSC-RQJHMYQMSA-N -1 0 301.299 -0.048 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000825177104 603961832 /nfs/dbraw/zinc/96/18/32/603961832.db2.gz GLXUDXSWYGYLSW-QMMMGPOBSA-N -1 0 319.383 -0.285 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)C[C@@H](C)NC(=O)[O-])CC2 ZINC000829051068 603971736 /nfs/dbraw/zinc/97/17/36/603971736.db2.gz YBZFSWXMOMBGPC-RKDXNWHRSA-N -1 0 311.342 -0.098 20 0 DBADRM C[C@H](CC(=O)OCC(=O)N1CCCC[C@H]1C(N)=O)NC(=O)[O-] ZINC000824717680 603975936 /nfs/dbraw/zinc/97/59/36/603975936.db2.gz BDUMTVAKSCPTDU-BDAKNGLRSA-N -1 0 315.326 -0.558 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000831246651 603980253 /nfs/dbraw/zinc/98/02/53/603980253.db2.gz SQCDGVRQBWFXKE-IWSPIJDZSA-N -1 0 305.356 -0.688 20 0 DBADRM C[C@@H](NC(=O)COC(=O)C[C@H](C)NC(=O)[O-])C(=O)N(C)C ZINC000824727256 603982742 /nfs/dbraw/zinc/98/27/42/603982742.db2.gz FRHMSTZQJHHEPL-JGVFFNPUSA-N -1 0 303.315 -0.831 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)n[nH]1 ZINC000828700485 603984856 /nfs/dbraw/zinc/98/48/56/603984856.db2.gz WDBRHDFZTYZURH-RQJHMYQMSA-N -1 0 311.298 -0.105 20 0 DBADRM CN(C)C(=O)[C@@H]1CSCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000827953934 603993132 /nfs/dbraw/zinc/99/31/32/603993132.db2.gz NQYMRLDZIVIJMW-VIFPVBQESA-N -1 0 317.367 -0.645 20 0 DBADRM CCc1nnc2n1C[C@H](NC(=O)COC1CN(C(=O)[O-])C1)CC2 ZINC000827657148 603993361 /nfs/dbraw/zinc/99/33/61/603993361.db2.gz WRSVQIONOGPIDN-SECBINFHSA-N -1 0 323.353 -0.350 20 0 DBADRM C[C@H]1CN(CCNC(=O)COC2CN(C(=O)[O-])C2)CCO1 ZINC000826056647 603993413 /nfs/dbraw/zinc/99/34/13/603993413.db2.gz DRULKQQAESPBAA-JTQLQIEISA-N -1 0 301.343 -0.798 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NCC(C)(C)NC(=O)[O-] ZINC000827480073 603994282 /nfs/dbraw/zinc/99/42/82/603994282.db2.gz DIXDOCIYFUHGKB-UHFFFAOYSA-N -1 0 310.376 -0.729 20 0 DBADRM O=C([O-])N1CC(OCC(=O)NCCC(=O)Nc2ccccn2)C1 ZINC000831533833 603995880 /nfs/dbraw/zinc/99/58/80/603995880.db2.gz REGPAHUFCFPUPT-UHFFFAOYSA-N -1 0 322.321 -0.095 20 0 DBADRM COC1(C(=O)NCC2(O)CCOCC2)CCN(C(=O)[O-])CC1 ZINC000828855969 603996751 /nfs/dbraw/zinc/99/67/51/603996751.db2.gz JFAVEOWRZFCUSW-UHFFFAOYSA-N -1 0 316.354 -0.197 20 0 DBADRM CC[C@H](O)CN1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000826626929 604000676 /nfs/dbraw/zinc/00/06/76/604000676.db2.gz YXTCLUUAWJEZHU-NSHDSACASA-N -1 0 315.370 -0.720 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000825507521 604002856 /nfs/dbraw/zinc/00/28/56/604002856.db2.gz CYAZYSGOQFZVFU-RKDXNWHRSA-N -1 0 307.372 -0.475 20 0 DBADRM COC[C@@](C)(O)CNC(=O)C1(OC)CCN(C(=O)[O-])CC1 ZINC000828895991 604003581 /nfs/dbraw/zinc/00/35/81/604003581.db2.gz FLEAILRTVNKQNK-LBPRGKRZSA-N -1 0 304.343 -0.341 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)NCCC(=O)NC(N)=O ZINC000829729464 604005735 /nfs/dbraw/zinc/00/57/35/604005735.db2.gz FTILFPMKBPFBLH-ZCFIWIBFSA-N -1 0 306.344 -0.923 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCCN1C(=O)[O-])CC2 ZINC000829050762 604008131 /nfs/dbraw/zinc/00/81/31/604008131.db2.gz VVQJSKJRTWZYKS-NXEZZACHSA-N -1 0 323.353 -0.002 20 0 DBADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000825778799 604012208 /nfs/dbraw/zinc/01/22/08/604012208.db2.gz TVVXSWNIJNQKGC-ZLVALASMSA-N -1 0 304.368 -0.267 20 0 DBADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000825778800 604012309 /nfs/dbraw/zinc/01/23/09/604012309.db2.gz TVVXSWNIJNQKGC-ZUNJMDCASA-N -1 0 304.368 -0.267 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC[C@H](Cn3cncn3)C2)C1 ZINC000831852965 604015562 /nfs/dbraw/zinc/01/55/62/604015562.db2.gz YNQCNNVBGMULII-NSHDSACASA-N -1 0 323.353 -0.105 20 0 DBADRM Cn1ncc2c1nnn(CN1CCC[C@H](NC(=O)[O-])C1)c2=O ZINC000831054836 604015594 /nfs/dbraw/zinc/01/55/94/604015594.db2.gz KTXFKLNIHPATIZ-QMMMGPOBSA-N -1 0 307.314 -0.786 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)COC1CN(C(=O)[O-])C1 ZINC000828267671 604016589 /nfs/dbraw/zinc/01/65/89/604016589.db2.gz XULPKKZPBNICBW-SECBINFHSA-N -1 0 320.367 -0.742 20 0 DBADRM NC(=O)NC1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000831208535 604020207 /nfs/dbraw/zinc/02/02/07/604020207.db2.gz RCSRDVFPQTWWAK-SECBINFHSA-N -1 0 300.315 -0.976 20 0 DBADRM NC(=O)NC1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000831208536 604020390 /nfs/dbraw/zinc/02/03/90/604020390.db2.gz RCSRDVFPQTWWAK-VIFPVBQESA-N -1 0 300.315 -0.976 20 0 DBADRM CC[C@@H](O)CCCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000826625170 604023750 /nfs/dbraw/zinc/02/37/50/604023750.db2.gz BIPRRWKSQNKABU-SNVBAGLBSA-N -1 0 301.343 -0.524 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)OCC[C@H]1CCOC1=O ZINC000831489353 604023813 /nfs/dbraw/zinc/02/38/13/604023813.db2.gz RZKMFPZSHTZITN-VIFPVBQESA-N -1 0 314.294 -0.695 20 0 DBADRM Cn1cc(N2CCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)cn1 ZINC000831009162 604026640 /nfs/dbraw/zinc/02/66/40/604026640.db2.gz LTZLLOKRMVCKNO-UHFFFAOYSA-N -1 0 323.353 -0.553 20 0 DBADRM COc1cccc(CNC(=O)Cn2nnnc2CNC(=O)[O-])c1 ZINC000829560853 604030095 /nfs/dbraw/zinc/03/00/95/604030095.db2.gz UYMBPLVWURCGSY-UHFFFAOYSA-N -1 0 320.309 -0.234 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCOc3ccncc32)C(=O)C1 ZINC000832031564 604040761 /nfs/dbraw/zinc/04/07/61/604040761.db2.gz RKOFJGAMLLJNJX-UHFFFAOYSA-N -1 0 320.305 -0.371 20 0 DBADRM C[C@H](CCO)CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000824801550 604047518 /nfs/dbraw/zinc/04/75/18/604047518.db2.gz CUTWEIFLGDIJCA-SNVBAGLBSA-N -1 0 316.358 -0.874 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828552460 604056076 /nfs/dbraw/zinc/05/60/76/604056076.db2.gz RSRWXQVMXATUPX-BIIVOSGPSA-N -1 0 301.299 -0.190 20 0 DBADRM CCNC(=O)C1CN(C(=O)[C@@H](CCSC)NC(=O)[O-])C1 ZINC000827236632 604064886 /nfs/dbraw/zinc/06/48/86/604064886.db2.gz HFIMUUQGXCLVJI-SECBINFHSA-N -1 0 303.384 -0.030 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000829700936 604065911 /nfs/dbraw/zinc/06/59/11/604065911.db2.gz XDZBBMIGXRASIW-NRFANRHFSA-N -1 0 317.411 -0.491 20 0 DBADRM NC(=O)C1(C(=O)N2CCC(OCCCNC(=O)[O-])CC2)CC1 ZINC000831167937 604071916 /nfs/dbraw/zinc/07/19/16/604071916.db2.gz TVVZFCAOGHKVSQ-UHFFFAOYSA-N -1 0 313.354 -0.083 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000824840303 604080348 /nfs/dbraw/zinc/08/03/48/604080348.db2.gz JXHBRZPHCZYEGS-SNVBAGLBSA-N -1 0 321.399 -0.274 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000831200067 604081091 /nfs/dbraw/zinc/08/10/91/604081091.db2.gz RKROMSONBOEMGS-SNVBAGLBSA-N -1 0 308.294 -0.304 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)[C@H](C)CN(C)C(=O)[O-])CC1 ZINC000827243232 604082823 /nfs/dbraw/zinc/08/28/23/604082823.db2.gz XCRAUWXTOFRRRB-LLVKDONJSA-N -1 0 314.386 -0.487 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000828656328 604089344 /nfs/dbraw/zinc/08/93/44/604089344.db2.gz QNOPQUMCYVZGIF-IUCAKERBSA-N -1 0 315.326 -0.878 20 0 DBADRM COC(=O)/C(C)=C/CN(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000828599688 604091541 /nfs/dbraw/zinc/09/15/41/604091541.db2.gz BZHJIUFTQCWPDF-NYYWCZLTSA-N -1 0 313.354 -0.140 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NCCCN(C)S(C)(=O)=O ZINC000824853703 604092996 /nfs/dbraw/zinc/09/29/96/604092996.db2.gz BSYXVPSQTZOMTK-VIFPVBQESA-N -1 0 309.388 -0.370 20 0 DBADRM C[C@@H](NC(=O)COC(=O)CC1CN(C(=O)[O-])C1)C(=O)N(C)C ZINC000825121341 604098447 /nfs/dbraw/zinc/09/84/47/604098447.db2.gz LGWUYUOTOBBXSJ-MRVPVSSYSA-N -1 0 315.326 -0.878 20 0 DBADRM C[C@H](CNC(=O)NCCCNC(=O)[O-])C[NH+]1CCN(C)CC1 ZINC000824939515 604107809 /nfs/dbraw/zinc/10/78/09/604107809.db2.gz MILSCHCTLSFTPE-GFCCVEGCSA-N -1 0 315.418 -0.173 20 0 DBADRM NC(=O)NC(=O)CN1CCC(OCCCNC(=O)[O-])CC1 ZINC000831207881 604108586 /nfs/dbraw/zinc/10/85/86/604108586.db2.gz GEIRWPPJDLGUTO-UHFFFAOYSA-N -1 0 302.331 -0.680 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000826019935 604111860 /nfs/dbraw/zinc/11/18/60/604111860.db2.gz IUIXNSCKPBLPJH-VHSXEESVSA-N -1 0 321.337 -0.027 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000831590954 604112861 /nfs/dbraw/zinc/11/28/61/604112861.db2.gz HFKRWPUBWJPERN-IUCAKERBSA-N -1 0 307.310 -0.369 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C1CC1 ZINC000832420373 604115579 /nfs/dbraw/zinc/11/55/79/604115579.db2.gz CIDMJEVMFSPRGG-MWLCHTKSSA-N -1 0 321.337 -0.075 20 0 DBADRM CC(C)(CNC(=O)NCCCN1C(=O)CCC1=O)NC(=O)[O-] ZINC000823936509 604116893 /nfs/dbraw/zinc/11/68/93/604116893.db2.gz GENHLPHBBYJBTJ-UHFFFAOYSA-N -1 0 314.342 -0.129 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NCC(C)(C)NC(=O)[O-] ZINC000827265761 604122797 /nfs/dbraw/zinc/12/27/97/604122797.db2.gz NSMNEIUGUNHSBF-UHFFFAOYSA-N -1 0 310.376 -0.729 20 0 DBADRM O=C([O-])NC1(CC(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)CCC1 ZINC000832194054 604132459 /nfs/dbraw/zinc/13/24/59/604132459.db2.gz KVCQASVEHANSNH-VIFPVBQESA-N -1 0 309.322 -0.027 20 0 DBADRM CS(=O)(=O)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000829674301 604137606 /nfs/dbraw/zinc/13/76/06/604137606.db2.gz PFWYRZKNNSCBDM-ZJUUUORDSA-N -1 0 319.383 -0.043 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)c1=O ZINC000831022566 604144065 /nfs/dbraw/zinc/14/40/65/604144065.db2.gz KENOIEDDLPBALG-SECBINFHSA-N -1 0 322.321 -0.560 20 0 DBADRM Cn1cccc(NC(=O)C(=O)NCCN(C(=O)[O-])C2CC2)c1=O ZINC000831022520 604146485 /nfs/dbraw/zinc/14/64/85/604146485.db2.gz IZXRJDPCTWOJEM-UHFFFAOYSA-N -1 0 322.321 -0.418 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N[C@H](CNC(=O)[O-])C2CC2)c1=O ZINC000831022050 604148070 /nfs/dbraw/zinc/14/80/70/604148070.db2.gz AIQNIMTVTKEAGQ-SNVBAGLBSA-N -1 0 322.321 -0.514 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000824834326 604148129 /nfs/dbraw/zinc/14/81/29/604148129.db2.gz VFQAQEIITJIECC-SECBINFHSA-N -1 0 321.399 -0.241 20 0 DBADRM COCCN(CC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)C(=O)[O-] ZINC000828971353 604148640 /nfs/dbraw/zinc/14/86/40/604148640.db2.gz WNLCLJGXAHKDTD-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@@H](CC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)NC(=O)[O-] ZINC000824573376 604148884 /nfs/dbraw/zinc/14/88/84/604148884.db2.gz UQCNOKWILSAODY-QMMMGPOBSA-N -1 0 312.326 -0.425 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)C(=O)Nc2cccn(C)c2=O)C1 ZINC000827829494 604149582 /nfs/dbraw/zinc/14/95/82/604149582.db2.gz KPBSISPYKINBAW-VIFPVBQESA-N -1 0 322.321 -0.466 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000824856086 604159865 /nfs/dbraw/zinc/15/98/65/604159865.db2.gz ZHOFYWWMFDGQFA-QMMMGPOBSA-N -1 0 300.315 -0.710 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](CN2CCN(C(=O)[O-])CC2)C1 ZINC000829683487 604161332 /nfs/dbraw/zinc/16/13/32/604161332.db2.gz SYHAPXWZOHSEDX-LLVKDONJSA-N -1 0 305.400 -0.046 20 0 DBADRM O=C([O-])N(CCCNC(=O)N1CCO[C@@H](CO)C1)C1CC1 ZINC000831671838 604163204 /nfs/dbraw/zinc/16/32/04/604163204.db2.gz KVWNXQVLBUPLMG-LLVKDONJSA-N -1 0 301.343 -0.078 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])CC1 ZINC000828573247 604164253 /nfs/dbraw/zinc/16/42/53/604164253.db2.gz OMWOMXAUSMALBS-VIFPVBQESA-N -1 0 321.399 -0.228 20 0 DBADRM O=C([O-])N1CCCC[C@H]1CNC(=O)N1CCO[C@@H](CO)C1 ZINC000831633538 604167647 /nfs/dbraw/zinc/16/76/47/604167647.db2.gz GQNYUTDVKLZXDK-WDEREUQCSA-N -1 0 301.343 -0.078 20 0 DBADRM O=C([O-])N1CCCC[C@@H]1CNC(=O)N1CCO[C@H](CO)C1 ZINC000831633530 604167896 /nfs/dbraw/zinc/16/78/96/604167896.db2.gz GQNYUTDVKLZXDK-MNOVXSKESA-N -1 0 301.343 -0.078 20 0 DBADRM O=C([O-])N1CCC[C@H](CNC(=O)N2CCO[C@@H](CO)C2)C1 ZINC000831981276 604170525 /nfs/dbraw/zinc/17/05/25/604170525.db2.gz VLISKWDJAJCXKR-GHMZBOCLSA-N -1 0 301.343 -0.221 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC000825212410 604171691 /nfs/dbraw/zinc/17/16/91/604171691.db2.gz VJMAWRKMGTZEGS-NXEZZACHSA-N -1 0 321.399 -0.228 20 0 DBADRM O=C(C[C@H]1CCCCO1)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000831314444 604175874 /nfs/dbraw/zinc/17/58/74/604175874.db2.gz UKYSAYJKKCBHOM-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000824847532 604179649 /nfs/dbraw/zinc/17/96/49/604179649.db2.gz IVELGUQWNHHVMJ-KOLCDFICSA-N -1 0 323.353 -0.113 20 0 DBADRM C[C@]1(C(=O)O[C@@H]2CC(=O)N(CC(N)=O)C2)CCN(C(=O)[O-])C1 ZINC000825684452 604187936 /nfs/dbraw/zinc/18/79/36/604187936.db2.gz GYVRTHKCOURVJO-OQPBUACISA-N -1 0 313.310 -0.994 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)CC2(NC(=O)[O-])CCC2)n1 ZINC000828552215 604194972 /nfs/dbraw/zinc/19/49/72/604194972.db2.gz NQBMRXVKCZNWDQ-UHFFFAOYSA-N -1 0 310.314 -0.457 20 0 DBADRM CCc1[nH]n(C)c2nnc(NC(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])c1-2 ZINC000827641593 604201056 /nfs/dbraw/zinc/20/10/56/604201056.db2.gz AJFICNUOWMDYBQ-POYBYMJQSA-N -1 0 322.325 -0.090 20 0 DBADRM C[C@@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)[C@@H]1CCOC1 ZINC000825592173 604210817 /nfs/dbraw/zinc/21/08/17/604210817.db2.gz HRWDVOAIPCGOGW-NXEZZACHSA-N -1 0 300.311 -0.223 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)CCCNC(=O)[O-])CC2)C1=O ZINC000828444353 604211078 /nfs/dbraw/zinc/21/10/78/604211078.db2.gz FEQGGCNSMHOOTP-UHFFFAOYSA-N -1 0 312.326 -0.423 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000829792790 604213464 /nfs/dbraw/zinc/21/34/64/604213464.db2.gz RRHOOGMWACXDLN-RBDZCENOSA-N -1 0 312.326 -0.521 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000825253840 604217042 /nfs/dbraw/zinc/21/70/42/604217042.db2.gz KTZKKTLXANTEEK-BDAKNGLRSA-N -1 0 324.337 -0.006 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)OC1(C)CN(C(=O)[O-])C1)c2=O ZINC000831054527 604219600 /nfs/dbraw/zinc/21/96/00/604219600.db2.gz DXHFUAQUWFEGAG-UHFFFAOYSA-N -1 0 321.293 -0.575 20 0 DBADRM CC1(OC(=O)C2CCN(S(C)(=O)=O)CC2)CN(C(=O)[O-])C1 ZINC000825760718 604222013 /nfs/dbraw/zinc/22/20/13/604222013.db2.gz QVPYFOZUYCCEBD-UHFFFAOYSA-N -1 0 320.367 -0.047 20 0 DBADRM COCCOCCN(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000829002140 604225273 /nfs/dbraw/zinc/22/52/73/604225273.db2.gz MZUUQVNRVBRCOA-UHFFFAOYSA-N -1 0 303.359 -0.597 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000825211527 604225325 /nfs/dbraw/zinc/22/53/25/604225325.db2.gz QTDFPVCQUZUBGP-BDAKNGLRSA-N -1 0 312.326 -0.567 20 0 DBADRM CN(CC(=O)O[C@H]1CCN(C2CCOCC2)C1=O)C(=O)[O-] ZINC000828120301 604228345 /nfs/dbraw/zinc/22/83/45/604228345.db2.gz JAVRLKNVFVHYEV-JTQLQIEISA-N -1 0 300.311 -0.081 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000828670283 604229473 /nfs/dbraw/zinc/22/94/73/604229473.db2.gz DCXIKJCWGAOHHF-VIFPVBQESA-N -1 0 323.371 -0.590 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828670282 604229493 /nfs/dbraw/zinc/22/94/93/604229493.db2.gz DCXIKJCWGAOHHF-SECBINFHSA-N -1 0 323.371 -0.590 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000828671627 604230233 /nfs/dbraw/zinc/23/02/33/604230233.db2.gz WONPXZBHTYYGRB-QMMMGPOBSA-N -1 0 309.344 -0.932 20 0 DBADRM COCCN(CC(=O)N1C[C@H](C(=O)OC)[C@H](C)C1)C(=O)[O-] ZINC000828970919 604244493 /nfs/dbraw/zinc/24/44/93/604244493.db2.gz JGLIJYHOAUQQHO-ZJUUUORDSA-N -1 0 302.327 -0.120 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2COCCN2C(=O)[O-])C[C@@H]1C ZINC000828639351 604247740 /nfs/dbraw/zinc/24/77/40/604247740.db2.gz GHZXZSAYXOAVEB-AEJSXWLSSA-N -1 0 300.311 -0.367 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000825016462 604249867 /nfs/dbraw/zinc/24/98/67/604249867.db2.gz QOQIXDSXOUJGBU-APPZFPTMSA-N -1 0 307.324 -0.468 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000829900112 604250786 /nfs/dbraw/zinc/25/07/86/604250786.db2.gz PCKJDAYONFBDLQ-UHFFFAOYSA-N -1 0 322.321 -0.546 20 0 DBADRM CS(=O)(=O)NCCOC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000829688922 604252812 /nfs/dbraw/zinc/25/28/12/604252812.db2.gz XGYWJRRVXCNDKA-RKDXNWHRSA-N -1 0 308.356 -0.095 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000825217272 604259650 /nfs/dbraw/zinc/25/96/50/604259650.db2.gz DKCNVWLRNNZZIW-UWVGGRQHSA-N -1 0 324.337 -0.156 20 0 DBADRM COC(=O)[C@]1(F)CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828623458 604264646 /nfs/dbraw/zinc/26/46/46/604264646.db2.gz CVCQIQYINWAWPC-ZANVPECISA-N -1 0 318.301 -0.131 20 0 DBADRM CCN(CCNC(=O)NC[C@H]1CCCS1(=O)=O)C(=O)[O-] ZINC000827146881 604268270 /nfs/dbraw/zinc/26/82/70/604268270.db2.gz UWJISPUQDMLKPL-SECBINFHSA-N -1 0 307.372 -0.137 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000824351370 604272300 /nfs/dbraw/zinc/27/23/00/604272300.db2.gz MWMZAHSTAHYTKR-IUCAKERBSA-N -1 0 313.310 -0.983 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000828662580 604275273 /nfs/dbraw/zinc/27/52/73/604275273.db2.gz BHQBTIFUIQYCGG-UWVGGRQHSA-N -1 0 316.310 -0.844 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)nn1 ZINC000825528871 604278643 /nfs/dbraw/zinc/27/86/43/604278643.db2.gz UVHCDYQIYQIXCX-OQPBUACISA-N -1 0 311.342 -0.116 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])nn1 ZINC000825528369 604278728 /nfs/dbraw/zinc/27/87/28/604278728.db2.gz LVVJBMPULXSHMR-AEJSXWLSSA-N -1 0 311.342 -0.116 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCC[C@H]2CN(C)C(=O)[O-])nn1 ZINC000825528968 604279909 /nfs/dbraw/zinc/27/99/09/604279909.db2.gz WOYQPDZMSTZWAY-ZJUUUORDSA-N -1 0 311.342 -0.068 20 0 DBADRM COC(=O)[C@]1(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCOC1 ZINC000828624534 604285114 /nfs/dbraw/zinc/28/51/14/604285114.db2.gz PHLAGEQDTAYPGZ-ZANVPECISA-N -1 0 316.310 -0.796 20 0 DBADRM COC[C@](C)(NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C(=O)OC ZINC000828885653 604286521 /nfs/dbraw/zinc/28/65/21/604286521.db2.gz KWTJWWAAEMBSDI-ZANVPECISA-N -1 0 318.326 -0.550 20 0 DBADRM COC[C@@](C)(NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C(=O)OC ZINC000828885650 604286551 /nfs/dbraw/zinc/28/65/51/604286551.db2.gz KWTJWWAAEMBSDI-NOZJJQNGSA-N -1 0 318.326 -0.550 20 0 DBADRM COC[C@@](C)(NC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)OC ZINC000828885397 604286711 /nfs/dbraw/zinc/28/67/11/604286711.db2.gz DLFNTNPYSGXSLX-PRHODGIISA-N -1 0 304.299 -0.941 20 0 DBADRM CC1(C)CN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CCS1(=O)=O ZINC000825719335 604287601 /nfs/dbraw/zinc/28/76/01/604287601.db2.gz OFMDHIPBJCBEMF-SECBINFHSA-N -1 0 320.367 -0.599 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000827851797 604303249 /nfs/dbraw/zinc/30/32/49/604303249.db2.gz MLUSPQAGRZWZHQ-UWVGGRQHSA-N -1 0 319.383 -0.043 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CNC(=O)c1cccnc1 ZINC000831553946 604303555 /nfs/dbraw/zinc/30/35/55/604303555.db2.gz LSQFVHJSQOZXQH-CQSZACIVSA-N -1 0 309.322 -0.193 20 0 DBADRM CC[C@@H](NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-] ZINC000262053247 604305342 /nfs/dbraw/zinc/30/53/42/604305342.db2.gz FVQVWAZZBPXHFD-WCBMZHEXSA-N -1 0 307.368 -0.052 20 0 DBADRM COc1cc2c(nn1)CCN(C(=O)[C@@H]1COCCN1C(=O)[O-])C2 ZINC000829225103 604308682 /nfs/dbraw/zinc/30/86/82/604308682.db2.gz NUZBOHAJWOCLHE-NSHDSACASA-N -1 0 322.321 -0.251 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCN3C(=O)OC[C@@H]3C2)C1 ZINC000832068626 604309201 /nfs/dbraw/zinc/30/92/01/604309201.db2.gz CZAGFMUJOZPNLM-UWVGGRQHSA-N -1 0 313.310 -0.582 20 0 DBADRM COc1cc2c(nn1)CCN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])C2 ZINC000829226402 604310231 /nfs/dbraw/zinc/31/02/31/604310231.db2.gz YMJNBJLHLFJIPQ-KOLCDFICSA-N -1 0 322.321 -0.517 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000739469378 604322935 /nfs/dbraw/zinc/32/29/35/604322935.db2.gz OUSIRQWMYOMYNO-OUAUKWLOSA-N -1 0 314.338 -0.099 20 0 DBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CNC(=O)[O-] ZINC000826692100 604323345 /nfs/dbraw/zinc/32/33/45/604323345.db2.gz ZXFOWHZEWRZAGP-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000828902315 604332079 /nfs/dbraw/zinc/33/20/79/604332079.db2.gz DORLRFNCBDYEHR-VHSXEESVSA-N -1 0 309.388 -0.765 20 0 DBADRM CN(CC(=O)NC1CCC(C(=O)NC(N)=O)CC1)C(=O)[O-] ZINC000828102854 604344531 /nfs/dbraw/zinc/34/45/31/604344531.db2.gz QFYQXQNDRBJQML-UHFFFAOYSA-N -1 0 300.315 -0.534 20 0 DBADRM C[C@H](CCNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)NC(=O)[O-] ZINC000824794437 604350338 /nfs/dbraw/zinc/35/03/38/604350338.db2.gz UPLMCBWVUPRAGY-HLTSFMKQSA-N -1 0 302.331 -0.635 20 0 DBADRM O=C([O-])c1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)s1 ZINC000833358307 604352288 /nfs/dbraw/zinc/35/22/88/604352288.db2.gz QMOHJAODDZTHIP-QMMMGPOBSA-N -1 0 309.347 -0.411 20 0 DBADRM CC(C)(CNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)NC(=O)[O-] ZINC000823930868 604352404 /nfs/dbraw/zinc/35/24/04/604352404.db2.gz QGCIAWGBDXQXKL-SFYZADRCSA-N -1 0 302.331 -0.635 20 0 DBADRM CC(C)(CNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)NC(=O)[O-] ZINC000823930869 604352545 /nfs/dbraw/zinc/35/25/45/604352545.db2.gz QGCIAWGBDXQXKL-YUMQZZPRSA-N -1 0 302.331 -0.635 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@H]2CCN(C(=O)[O-])C2)O1 ZINC000831174502 604352592 /nfs/dbraw/zinc/35/25/92/604352592.db2.gz UPWXZEGYBRHLBO-YIZRAAEISA-N -1 0 300.315 -0.929 20 0 DBADRM CC(C)(CNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1)NC(=O)[O-] ZINC000823930866 604352613 /nfs/dbraw/zinc/35/26/13/604352613.db2.gz QGCIAWGBDXQXKL-HTQZYQBOSA-N -1 0 302.331 -0.635 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)C1 ZINC000827851763 604356551 /nfs/dbraw/zinc/35/65/51/604356551.db2.gz MFBMARSMLCWYFC-OPRDCNLKSA-N -1 0 314.342 -0.587 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCCN(C(=O)[O-])CC2)O1 ZINC000831173404 604356591 /nfs/dbraw/zinc/35/65/91/604356591.db2.gz MJRUKWQWYRGXPY-ZJUUUORDSA-N -1 0 314.342 -0.585 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)CN1CC[C@@H](NC(=O)[O-])C1 ZINC000739390289 604366296 /nfs/dbraw/zinc/36/62/96/604366296.db2.gz SVCCMZZDKXXIQA-LLVKDONJSA-N -1 0 314.386 -0.299 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)N2CCO[C@H](CO)C2)c(C(=O)[O-])c1C ZINC000825929315 604369291 /nfs/dbraw/zinc/36/92/91/604369291.db2.gz PPCNVYIZWLQCKM-JTQLQIEISA-N -1 0 324.333 -0.014 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000738599699 604374328 /nfs/dbraw/zinc/37/43/28/604374328.db2.gz FKMDXUCWXJCXHZ-MWLCHTKSSA-N -1 0 312.370 -0.546 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000738612449 604374576 /nfs/dbraw/zinc/37/45/76/604374576.db2.gz HAAZNZQKNANQHE-OUAUKWLOSA-N -1 0 312.370 -0.559 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000738599695 604374769 /nfs/dbraw/zinc/37/47/69/604374769.db2.gz FKMDXUCWXJCXHZ-GXSJLCMTSA-N -1 0 312.370 -0.546 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)O1 ZINC000831172622 604379581 /nfs/dbraw/zinc/37/95/81/604379581.db2.gz IZXZVHBUXIAKSJ-YVZVNANGSA-N -1 0 303.290 -0.773 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)OCCCN1C(=O)CNC1=O ZINC000736381784 604381209 /nfs/dbraw/zinc/38/12/09/604381209.db2.gz XZNQOVZTSDWJHA-VIFPVBQESA-N -1 0 301.299 -0.236 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000826945201 604394256 /nfs/dbraw/zinc/39/42/56/604394256.db2.gz VLOYXFYRKXZOGK-JTQLQIEISA-N -1 0 321.399 -0.779 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H]2CSCN2C(=O)[O-])O1 ZINC000831172990 604394335 /nfs/dbraw/zinc/39/43/35/604394335.db2.gz KQLGQIGKXBFUHZ-BWZBUEFSSA-N -1 0 303.340 -0.812 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)CC2CCN(C(=O)[O-])CC2)O1 ZINC000831174029 604394450 /nfs/dbraw/zinc/39/44/50/604394450.db2.gz QFNVXSMVSYERMT-WDEREUQCSA-N -1 0 313.354 -0.084 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)C2CCC(NC(=O)[O-])CC2)O1 ZINC000831174766 604394565 /nfs/dbraw/zinc/39/45/65/604394565.db2.gz ZEFSPDWUZRVEFD-WFBLGPOFSA-N -1 0 313.354 -0.038 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)C2(CNC(=O)[O-])CCCC2)O1 ZINC000831174539 604394748 /nfs/dbraw/zinc/39/47/48/604394748.db2.gz VGHJBKXBRBWXQW-NXEZZACHSA-N -1 0 313.354 -0.037 20 0 DBADRM Cn1cccc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])c1=O ZINC000828512961 604398402 /nfs/dbraw/zinc/39/84/02/604398402.db2.gz DAEIABVGKISDJB-JTQLQIEISA-N -1 0 308.338 -0.591 20 0 DBADRM CN1CCN(C(=O)COC2CCOCC2)[C@@H](CNC(=O)[O-])C1 ZINC000828500276 604403116 /nfs/dbraw/zinc/40/31/16/604403116.db2.gz IBCJVXQBWOXKIP-NSHDSACASA-N -1 0 315.370 -0.408 20 0 DBADRM CCOC(=O)NCCC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000827326944 604404262 /nfs/dbraw/zinc/40/42/62/604404262.db2.gz HNZCCOKPPXZWIQ-SNVBAGLBSA-N -1 0 316.358 -0.467 20 0 DBADRM Cc1cc(=O)c(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])c[nH]1 ZINC000829901352 604406885 /nfs/dbraw/zinc/40/68/85/604406885.db2.gz ZMHZMZPGZGLJHN-JTQLQIEISA-N -1 0 308.338 -0.293 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000828617320 604407283 /nfs/dbraw/zinc/40/72/83/604407283.db2.gz BRNFUPFWIQRGHT-ZDUSSCGKSA-N -1 0 300.311 -0.223 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)nc1Cl ZINC000760119838 604407397 /nfs/dbraw/zinc/40/73/97/604407397.db2.gz XULIJBKNGSWGFW-ZCFIWIBFSA-N -1 0 309.731 -0.452 20 0 DBADRM CON(C)C(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000831836541 604407993 /nfs/dbraw/zinc/40/79/93/604407993.db2.gz JUTKLMCKFXUWBR-HLTSFMKQSA-N -1 0 304.368 -0.035 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)nc1Cl ZINC000833054089 604408426 /nfs/dbraw/zinc/40/84/26/604408426.db2.gz QZDJGXTYNGYOTM-SSDOTTSWSA-N -1 0 323.758 -0.062 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000828655458 604412910 /nfs/dbraw/zinc/41/29/10/604412910.db2.gz DIUOYJHRCSWJLZ-UHFFFAOYSA-N -1 0 306.340 -0.389 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)c(=O)n(C)c1 ZINC000818835435 604413375 /nfs/dbraw/zinc/41/33/75/604413375.db2.gz POZJSFQCHCNMRT-UHFFFAOYSA-N -1 0 321.333 -0.045 20 0 DBADRM CN(C1(C(=O)[O-])CCCC1)S(=O)(=O)CCS(C)(=O)=O ZINC000388742480 604417029 /nfs/dbraw/zinc/41/70/29/604417029.db2.gz JMOSODHIKRKBIV-UHFFFAOYSA-N -1 0 313.397 -0.310 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[C@@H](CNC(=O)[O-])C2)O1 ZINC000831174783 604417479 /nfs/dbraw/zinc/41/74/79/604417479.db2.gz ZLYIKWONDLESFW-AEJSXWLSSA-N -1 0 314.342 -0.682 20 0 DBADRM C[C@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)[C@@H]1CN(C)CCO1 ZINC000827741250 604417875 /nfs/dbraw/zinc/41/78/75/604417875.db2.gz JLNFFFIGARUFQF-QWRGUYRKSA-N -1 0 320.411 -0.120 20 0 DBADRM NS(=O)(=O)c1ccc(NC(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000831250441 604421159 /nfs/dbraw/zinc/42/11/59/604421159.db2.gz BVVMDCVBPNXIJM-UHFFFAOYSA-N -1 0 314.323 -0.182 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@H]2OCCN(C)[C@H]2C1)C(=O)[O-] ZINC000828709371 604423513 /nfs/dbraw/zinc/42/35/13/604423513.db2.gz RCUIIPAKXJUXFE-FMSGJZPZSA-N -1 0 313.398 -0.383 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@@H]2OCCN(C)[C@H]2C1)C(=O)[O-] ZINC000826788597 604423559 /nfs/dbraw/zinc/42/35/59/604423559.db2.gz ZDIIHZCHYVGHAB-AVGNSLFASA-N -1 0 313.398 -0.383 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@H]2OCCN(C)[C@@H]2C1)C(=O)[O-] ZINC000828709377 604423786 /nfs/dbraw/zinc/42/37/86/604423786.db2.gz RCUIIPAKXJUXFE-SFTQSGBHSA-N -1 0 313.398 -0.383 20 0 DBADRM CN1CCO[C@H]2CN(Cc3noc(CCCC(=O)[O-])n3)C[C@H]21 ZINC000830965435 604424388 /nfs/dbraw/zinc/42/43/88/604424388.db2.gz RBSXISXNDPENHY-MNOVXSKESA-N -1 0 310.354 -0.008 20 0 DBADRM COCc1nn(CN2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)c(=O)o1 ZINC000829056148 604438205 /nfs/dbraw/zinc/43/82/05/604438205.db2.gz UGMAOPWGXWWTSZ-BDAKNGLRSA-N -1 0 316.314 -0.703 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000826994817 604439805 /nfs/dbraw/zinc/43/98/05/604439805.db2.gz CKRHMHSYAVDTGF-ZJUUUORDSA-N -1 0 307.368 -0.242 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CN1CCCNC1=O ZINC000827001644 604441366 /nfs/dbraw/zinc/44/13/66/604441366.db2.gz QYULBEZAJCCTCC-SNVBAGLBSA-N -1 0 301.343 -0.262 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000831705495 604442347 /nfs/dbraw/zinc/44/23/47/604442347.db2.gz NXGWWYMQDCFTQU-VHSXEESVSA-N -1 0 322.383 -0.879 20 0 DBADRM CCOC(=O)CN1CCCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000827312524 604446943 /nfs/dbraw/zinc/44/69/43/604446943.db2.gz GNZWBFFSWLWATD-UHFFFAOYSA-N -1 0 313.354 -0.116 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000827006264 604447656 /nfs/dbraw/zinc/44/76/56/604447656.db2.gz JUKHYGJWNOHSAB-VIFPVBQESA-N -1 0 313.310 -0.715 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(c2cncc(-n3cncn3)n2)CCO1 ZINC000825373161 604454208 /nfs/dbraw/zinc/45/42/08/604454208.db2.gz VPOBIRKAKDUHNK-ZJUUUORDSA-N -1 0 319.325 -0.081 20 0 DBADRM C[C@@H](CC(N)=O)Nc1ncnc(N[C@@H](C)CC(N)=O)c1C(=O)[O-] ZINC000827397976 604459494 /nfs/dbraw/zinc/45/94/94/604459494.db2.gz PKOZVMQMXBVOKZ-BQBZGAKWSA-N -1 0 324.341 -0.474 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)OC)nc1C ZINC000833682312 604461547 /nfs/dbraw/zinc/46/15/47/604461547.db2.gz OYHSEGCWCGUGPX-QMMMGPOBSA-N -1 0 319.339 -0.494 20 0 DBADRM C[C@@H]1COCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000399141573 604461807 /nfs/dbraw/zinc/46/18/07/604461807.db2.gz URMCUBZNQLYXRV-VIFPVBQESA-N -1 0 303.340 -0.375 20 0 DBADRM CC(C)(O)[C@H]1CCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833464343 604466094 /nfs/dbraw/zinc/46/60/94/604466094.db2.gz ZYZWHZSCKZOTMD-SNVBAGLBSA-N -1 0 317.367 -0.108 20 0 DBADRM Cn1nnnc1SCCC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000740304527 604470361 /nfs/dbraw/zinc/47/03/61/604470361.db2.gz MZEZPKYSHCXMEP-SSDOTTSWSA-N -1 0 300.344 -0.439 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)C3(NC(=O)[O-])CC3)C2=O)n(C)n1 ZINC000830073860 604476004 /nfs/dbraw/zinc/47/60/04/604476004.db2.gz XOTHLNMODOTKHX-VIFPVBQESA-N -1 0 321.337 -0.250 20 0 DBADRM CC(C)(CNC(=O)C1(NC(=O)[O-])CC1)N1CCS(=O)CC1 ZINC000823900406 604478215 /nfs/dbraw/zinc/47/82/15/604478215.db2.gz KSSZCTGQLPIQBO-UHFFFAOYSA-N -1 0 317.411 -0.254 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCOC[C@H]1CCO)C(=O)[O-] ZINC000833477594 604478330 /nfs/dbraw/zinc/47/83/30/604478330.db2.gz KTBYJPOIRUGVDP-VXGBXAGGSA-N -1 0 302.371 -0.315 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)CNC(=O)NCc2ccco2)C1 ZINC000740590545 604483296 /nfs/dbraw/zinc/48/32/96/604483296.db2.gz WZOFYDVBBDRQJT-SECBINFHSA-N -1 0 310.310 -0.053 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)N(C)C2CC2)CCO1 ZINC000825360727 604490637 /nfs/dbraw/zinc/49/06/37/604490637.db2.gz QDABCBMGJGRQSO-PSASIEDQSA-N -1 0 307.372 -0.318 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828904871 604491284 /nfs/dbraw/zinc/49/12/84/604491284.db2.gz XTWLHJMZGOTGMK-AEJSXWLSSA-N -1 0 310.372 -0.292 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)Cc2ccon2)CCO1 ZINC000825358310 604492052 /nfs/dbraw/zinc/49/20/52/604492052.db2.gz FPYRMIURMLXLSG-WCBMZHEXSA-N -1 0 319.339 -0.139 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)C[C@H]2CCOC2)CCO1 ZINC000825359093 604492807 /nfs/dbraw/zinc/49/28/07/604492807.db2.gz JJJPCCMBPCKSAJ-DCAQKATOSA-N -1 0 322.383 -0.290 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C1CCOCC1 ZINC000829979148 604495864 /nfs/dbraw/zinc/49/58/64/604495864.db2.gz YWMKUUHYEFPMMS-NSHDSACASA-N -1 0 324.399 -0.237 20 0 DBADRM COC(=O)c1ccccc1CC(=O)OCC(=O)NCC(=O)[O-] ZINC000833717811 604497903 /nfs/dbraw/zinc/49/79/03/604497903.db2.gz WPCJZDMPISSFTM-UHFFFAOYSA-N -1 0 309.274 -0.240 20 0 DBADRM C[C@@H](OC(=O)CS(=O)(=O)C(C)(C)C)C(=O)NCC(=O)[O-] ZINC000833530983 604501557 /nfs/dbraw/zinc/50/15/57/604501557.db2.gz JVOFNBPXBLWZHZ-SSDOTTSWSA-N -1 0 309.340 -0.668 20 0 DBADRM CNC(=O)[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(C)C ZINC000830978484 604506170 /nfs/dbraw/zinc/50/61/70/604506170.db2.gz CIRMTTSEPXJKIB-VIFPVBQESA-N -1 0 303.340 -0.238 20 0 DBADRM O=C([O-])NC1(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)CC1 ZINC000832162653 604521328 /nfs/dbraw/zinc/52/13/28/604521328.db2.gz QNWZDXSCICSPKA-FUXBKTLASA-N -1 0 310.310 -0.719 20 0 DBADRM COC(=O)C[C@H](C)N1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000828646451 604522226 /nfs/dbraw/zinc/52/22/26/604522226.db2.gz KDFNPQAASRODLT-JTQLQIEISA-N -1 0 313.354 -0.118 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000832670217 604523118 /nfs/dbraw/zinc/52/31/18/604523118.db2.gz DWYPKRUWJBCMIL-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM O=C([O-])NCC(=O)Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000833777548 604536563 /nfs/dbraw/zinc/53/65/63/604536563.db2.gz VWXNIWVVKQRFSJ-VIFPVBQESA-N -1 0 307.262 -0.390 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NC[C@@H]2COCCO2)CCO1 ZINC000825312407 604539252 /nfs/dbraw/zinc/53/92/52/604539252.db2.gz WLHACYJSYJCEAI-AXFHLTTASA-N -1 0 317.342 -0.532 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000819258133 604539631 /nfs/dbraw/zinc/53/96/31/604539631.db2.gz ORHGTDAZICJBFY-JTQLQIEISA-N -1 0 304.368 -0.073 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)NCCn2cncn2)c1 ZINC000833144171 604541438 /nfs/dbraw/zinc/54/14/38/604541438.db2.gz RZGLFHYYBZUBDA-UHFFFAOYSA-N -1 0 309.307 -0.207 20 0 DBADRM COC[C@](C)(O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000831637593 604541555 /nfs/dbraw/zinc/54/15/55/604541555.db2.gz KYXJFPWMDBCRMB-GFCCVEGCSA-N -1 0 316.335 -0.102 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CCCNC(=O)c2cccnc2)CCO1 ZINC000819181649 604543373 /nfs/dbraw/zinc/54/33/73/604543373.db2.gz QASZTTDDRDOYPO-LBPRGKRZSA-N -1 0 321.333 -0.096 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C1(NC(=O)[O-])CC1 ZINC000829683249 604545222 /nfs/dbraw/zinc/54/52/22/604545222.db2.gz PVFRDIKXMPGLFY-DTWKUNHWSA-N -1 0 319.383 -0.379 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CC1=O ZINC000830913779 604548416 /nfs/dbraw/zinc/54/84/16/604548416.db2.gz WDIDVIPRHCHZGK-SSDOTTSWSA-N -1 0 311.319 -0.268 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)N[C@H]2CCCNC2=O)c1 ZINC000833150159 604549452 /nfs/dbraw/zinc/54/94/52/604549452.db2.gz DLQCSSXGZSVSKQ-ZETCQYMHSA-N -1 0 311.319 -0.220 20 0 DBADRM O=C([O-])[C@]1(NC(=O)CCCNC(=O)c2cccnc2)CCOC1 ZINC000833098733 604550670 /nfs/dbraw/zinc/55/06/70/604550670.db2.gz NGZRWDSVOCKNBD-HNNXBMFYSA-N -1 0 321.333 -0.049 20 0 DBADRM CN(Cc1cccn1C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000828407225 604553585 /nfs/dbraw/zinc/55/35/85/604553585.db2.gz SZDDIZNOTWMCAP-UHFFFAOYSA-N -1 0 308.338 -0.194 20 0 DBADRM CNC(=O)CCCNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828537417 604561860 /nfs/dbraw/zinc/56/18/60/604561860.db2.gz DTBFCXJOFZKAKP-ZJUUUORDSA-N -1 0 316.358 -0.421 20 0 DBADRM Cc1noc(CNC(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)n1 ZINC000830925221 604562021 /nfs/dbraw/zinc/56/20/21/604562021.db2.gz TXFFPTNYFJFYKI-APPZFPTMSA-N -1 0 313.314 -0.055 20 0 DBADRM Cc1noc(CNC(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)n1 ZINC000830925229 604562282 /nfs/dbraw/zinc/56/22/82/604562282.db2.gz TXFFPTNYFJFYKI-VXNVDRBHSA-N -1 0 313.314 -0.055 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000250951399 604569855 /nfs/dbraw/zinc/56/98/55/604569855.db2.gz OVHFECDPSIVCMK-UWVGGRQHSA-N -1 0 304.368 -0.124 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000042144742 604570064 /nfs/dbraw/zinc/57/00/64/604570064.db2.gz OVHFECDPSIVCMK-ZJUUUORDSA-N -1 0 304.368 -0.124 20 0 DBADRM CCn1c(=O)c2ccccc2n(CC(=O)N(C)CC(=O)[O-])c1=O ZINC000737910966 604580811 /nfs/dbraw/zinc/58/08/11/604580811.db2.gz KJRNQBVOHNHGHW-UHFFFAOYSA-N -1 0 319.317 -0.274 20 0 DBADRM CC1(C)CN(CCNC(=O)NC2CN(C(=O)[O-])C2)CCO1 ZINC000825735091 604581080 /nfs/dbraw/zinc/58/10/80/604581080.db2.gz VACHBJZQQWKIOH-UHFFFAOYSA-N -1 0 300.359 -0.241 20 0 DBADRM CCc1nc2n(n1)C[C@H](NC(=O)NC1CN(C(=O)[O-])C1)CC2 ZINC000827645467 604588112 /nfs/dbraw/zinc/58/81/12/604588112.db2.gz WYLNYDVUOXUXTG-MRVPVSSYSA-N -1 0 308.342 -0.183 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000829669010 604589348 /nfs/dbraw/zinc/58/93/48/604589348.db2.gz JMTURAXXXHVVRP-UHFFFAOYSA-N -1 0 320.367 -0.599 20 0 DBADRM C[C@@H](CNC(=O)NC1CN(C(=O)[O-])C1)CN1CCOCC1 ZINC000824939499 604589661 /nfs/dbraw/zinc/58/96/61/604589661.db2.gz MAKHILLEENRYRE-JTQLQIEISA-N -1 0 300.359 -0.384 20 0 DBADRM CN(CCCNC(=O)N1CC[C@@H](NC(=O)[O-])C1)S(C)(=O)=O ZINC000739669356 604591109 /nfs/dbraw/zinc/59/11/09/604591109.db2.gz CSJQVQAIQBMZSE-SECBINFHSA-N -1 0 322.387 -0.681 20 0 DBADRM NC(=O)COc1cccc(CNC(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000831193919 604592671 /nfs/dbraw/zinc/59/26/71/604592671.db2.gz CTGYZYAYHBTCCK-UHFFFAOYSA-N -1 0 322.321 -0.288 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)COC3)CCO1 ZINC000821466113 604593827 /nfs/dbraw/zinc/59/38/27/604593827.db2.gz GFMRDXWYFGDZLH-GFCCVEGCSA-N -1 0 320.301 -0.033 20 0 DBADRM CC[C@@H](O)CCNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000826626904 604593934 /nfs/dbraw/zinc/59/39/34/604593934.db2.gz YKQDYUGYLQFAAG-SNVBAGLBSA-N -1 0 316.358 -0.731 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)NC1CN(C(=O)[O-])C1)CC2 ZINC000829049261 604595901 /nfs/dbraw/zinc/59/59/01/604595901.db2.gz BTIZTYUKUIESFE-MRVPVSSYSA-N -1 0 324.341 -0.599 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)NCCCN2C(=O)CCC2=O)C1 ZINC000740587585 604600719 /nfs/dbraw/zinc/60/07/19/604600719.db2.gz MHLXNZMLSWDVLW-SECBINFHSA-N -1 0 312.326 -0.423 20 0 DBADRM Cc1nc([C@H]2CN(C(=O)NC3CN(C(=O)[O-])C3)CCO2)n[nH]1 ZINC000830678053 604607715 /nfs/dbraw/zinc/60/77/15/604607715.db2.gz MAANBAJKLDRCID-SECBINFHSA-N -1 0 310.314 -0.442 20 0 DBADRM Cc1nc([C@@H]2CN(C(=O)NC3CN(C(=O)[O-])C3)CCO2)n[nH]1 ZINC000830678055 604607730 /nfs/dbraw/zinc/60/77/30/604607730.db2.gz MAANBAJKLDRCID-VIFPVBQESA-N -1 0 310.314 -0.442 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827250166 604612267 /nfs/dbraw/zinc/61/22/67/604612267.db2.gz QRXQJGGVLRSHLY-GUBZILKMSA-N -1 0 316.358 -0.423 20 0 DBADRM O=C([O-])N1CC(NC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000831846922 604617734 /nfs/dbraw/zinc/61/77/34/604617734.db2.gz NJGLTADOTQCPSE-UHFFFAOYSA-N -1 0 306.326 -0.330 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CC(=O)N2CCO[C@H](C)C2)CCO1 ZINC000825983138 604620278 /nfs/dbraw/zinc/62/02/78/604620278.db2.gz HDBSSDULWGANPN-GRYCIOLGSA-N -1 0 315.370 -0.409 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)NC2CN(C(=O)[O-])C2)CCO1 ZINC000828664134 604622941 /nfs/dbraw/zinc/62/29/41/604622941.db2.gz WDRAODJEDUTGJJ-SECBINFHSA-N -1 0 301.299 -0.678 20 0 DBADRM O=C([O-])N1CC(NC(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC000831847761 604623598 /nfs/dbraw/zinc/62/35/98/604623598.db2.gz WNSLPKVTAQJWIV-LBPRGKRZSA-N -1 0 312.370 -0.145 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC000827653853 604625512 /nfs/dbraw/zinc/62/55/12/604625512.db2.gz SKNTYUBXHYGAGT-TUAOUCFPSA-N -1 0 315.370 -0.409 20 0 DBADRM CNS(=O)(=O)CCCN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828580382 604629265 /nfs/dbraw/zinc/62/92/65/604629265.db2.gz ZGNXVLIKLMJOMH-NXEZZACHSA-N -1 0 309.388 -0.717 20 0 DBADRM CCN(C(=O)c1ccc(=O)n(CCOC)n1)C1CN(C(=O)[O-])C1 ZINC000826980427 604629540 /nfs/dbraw/zinc/62/95/40/604629540.db2.gz UYXBDPJXGSEJGV-UHFFFAOYSA-N -1 0 324.337 -0.286 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CCC(=O)N2CCOCC2)CCO1 ZINC000825349625 604631445 /nfs/dbraw/zinc/63/14/45/604631445.db2.gz DIJVZOAUSZKXPH-NEPJUHHUSA-N -1 0 315.370 -0.408 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCCCN1CCOCC1 ZINC000831383962 604639180 /nfs/dbraw/zinc/63/91/80/604639180.db2.gz YYJBSVAJNQEZSR-LBPRGKRZSA-N -1 0 315.370 -0.406 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCCCN1CCOCC1 ZINC000831383961 604639269 /nfs/dbraw/zinc/63/92/69/604639269.db2.gz YYJBSVAJNQEZSR-GFCCVEGCSA-N -1 0 315.370 -0.406 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)[C@@H]1CCC(=O)O1)C(=O)[O-] ZINC000826785914 604643103 /nfs/dbraw/zinc/64/31/03/604643103.db2.gz HIYUQCJGNNLFLB-BDAKNGLRSA-N -1 0 301.295 -0.149 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)[C@H]1CCC(=O)O1)C(=O)[O-] ZINC000826785915 604643344 /nfs/dbraw/zinc/64/33/44/604643344.db2.gz HIYUQCJGNNLFLB-DTWKUNHWSA-N -1 0 301.295 -0.149 20 0 DBADRM CN(CC(=O)[O-])CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000818402313 604643521 /nfs/dbraw/zinc/64/35/21/604643521.db2.gz GKNRGJIPWFKJDF-UHFFFAOYSA-N -1 0 308.273 -0.244 20 0 DBADRM COC(=O)C1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828631077 604645919 /nfs/dbraw/zinc/64/59/19/604645919.db2.gz LQHSBIXVMZZGSZ-SNVBAGLBSA-N -1 0 300.311 -0.223 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000824043397 604651561 /nfs/dbraw/zinc/65/15/61/604651561.db2.gz JMDDSDVGZPAKCN-NSHDSACASA-N -1 0 313.354 -0.308 20 0 DBADRM C[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@@H]1C(=O)[O-] ZINC000833625853 604653822 /nfs/dbraw/zinc/65/38/22/604653822.db2.gz VERVQAUQSWMJST-SVRRBLITSA-N -1 0 302.308 -0.280 20 0 DBADRM O=C(CNC(=O)[C@H]1CN(C(=O)[O-])CCO1)NCc1ccco1 ZINC000831489008 604658733 /nfs/dbraw/zinc/65/87/33/604658733.db2.gz MQLCTEXUESVFJU-SNVBAGLBSA-N -1 0 311.294 -0.609 20 0 DBADRM CN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000827745259 604659698 /nfs/dbraw/zinc/65/96/98/604659698.db2.gz IJORRRWWQBGFCS-RKDXNWHRSA-N -1 0 306.340 -0.989 20 0 DBADRM CN(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000827754553 604659726 /nfs/dbraw/zinc/65/97/26/604659726.db2.gz YSBDJIPSJYFBQU-UWVGGRQHSA-N -1 0 320.367 -0.599 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000829721580 604663839 /nfs/dbraw/zinc/66/38/39/604663839.db2.gz BDYIGQOIJVHJRU-DCAQKATOSA-N -1 0 317.411 -0.083 20 0 DBADRM CC(=O)N1CCCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823557423 604665688 /nfs/dbraw/zinc/66/56/88/604665688.db2.gz WRYAGXCDSVVCMP-LBPRGKRZSA-N -1 0 313.354 -0.164 20 0 DBADRM CN(CC(=O)N1CCC[C@H]1CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000830665674 604667398 /nfs/dbraw/zinc/66/73/98/604667398.db2.gz LDSLAHNMJVIBLO-QWRGUYRKSA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)CCO1 ZINC000825294887 604672601 /nfs/dbraw/zinc/67/26/01/604672601.db2.gz PNWNWYCSSNCZOR-GARJFASQSA-N -1 0 313.354 -0.262 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000828624315 604672740 /nfs/dbraw/zinc/67/27/40/604672740.db2.gz MUZXVHFHJHPASA-QEYWKRMJSA-N -1 0 300.311 -0.321 20 0 DBADRM C[C@]1(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCS(=O)(=O)C1 ZINC000825755422 604672952 /nfs/dbraw/zinc/67/29/52/604672952.db2.gz MVUOVTYJSBFOSL-SKDRFNHKSA-N -1 0 320.367 -0.551 20 0 DBADRM NC(=O)[C@@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)c1ccccc1 ZINC000831167895 604674330 /nfs/dbraw/zinc/67/43/30/604674330.db2.gz SEOCVVNCDKZJCJ-MNOVXSKESA-N -1 0 307.306 -0.292 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCNC(=O)c2ccccc2)C1 ZINC000831689780 604676583 /nfs/dbraw/zinc/67/65/83/604676583.db2.gz XBDWRRAQJLQZTP-GFCCVEGCSA-N -1 0 321.333 -0.089 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)C1 ZINC000827228327 604681893 /nfs/dbraw/zinc/68/18/93/604681893.db2.gz NEAWWKXIYNKFFL-WOPDTQHZSA-N -1 0 315.370 -0.409 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CCCCNC(N)=O)CCO1 ZINC000825302954 604682904 /nfs/dbraw/zinc/68/29/04/604682904.db2.gz UDPJGRAVJMBXKV-VHSXEESVSA-N -1 0 316.358 -0.292 20 0 DBADRM CNC(=O)C1(C(=O)O[C@@H](C)c2cn(CC(=O)[O-])nn2)CCC1 ZINC000830978884 604684849 /nfs/dbraw/zinc/68/48/49/604684849.db2.gz MDXKIHOWMLBVBT-QMMMGPOBSA-N -1 0 310.310 -0.117 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC3(CC2)OCCO3)C1 ZINC000832049545 604688692 /nfs/dbraw/zinc/68/86/92/604688692.db2.gz GPNSOGFEKAILTC-JTQLQIEISA-N -1 0 300.311 -0.269 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(C(N)=O)cn2C)CCO1 ZINC000825327560 604688884 /nfs/dbraw/zinc/68/88/84/604688884.db2.gz RDUFBDLRJINLEF-LDYMZIIASA-N -1 0 324.337 -0.379 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000831383015 604689731 /nfs/dbraw/zinc/68/97/31/604689731.db2.gz SELXEQFMFZAICT-VHSXEESVSA-N -1 0 320.367 -0.694 20 0 DBADRM CC(C)CN(CC(N)=O)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000824252239 604690636 /nfs/dbraw/zinc/69/06/36/604690636.db2.gz WPICKZVNFMTLRX-JTQLQIEISA-N -1 0 301.343 -0.275 20 0 DBADRM CC(C)NC(=O)CCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000824369786 604690927 /nfs/dbraw/zinc/69/09/27/604690927.db2.gz VDSUBNFUZVJTGM-JTQLQIEISA-N -1 0 301.343 -0.214 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(N)=O ZINC000833471403 604693206 /nfs/dbraw/zinc/69/32/06/604693206.db2.gz QZDOWPZTTZVKIN-VIFPVBQESA-N -1 0 301.324 -0.432 20 0 DBADRM CNC(=O)C1(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)CCC1 ZINC000828526097 604694452 /nfs/dbraw/zinc/69/44/52/604694452.db2.gz GYEYHEZNOVKJSW-NXEZZACHSA-N -1 0 313.354 -0.214 20 0 DBADRM COC(=O)Cn1cc(CCOC(=O)CN(C)C(=O)[O-])nn1 ZINC000831192388 604697688 /nfs/dbraw/zinc/69/76/88/604697688.db2.gz KBNUPBNNPVCMDF-UHFFFAOYSA-N -1 0 300.271 -0.853 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)CCn2ccccc2=O)nn1 ZINC000833271163 604700403 /nfs/dbraw/zinc/70/04/03/604700403.db2.gz BJXFVRALYSRMRG-UHFFFAOYSA-N -1 0 320.305 -0.300 20 0 DBADRM C[C@H](OC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cn(CC(=O)[O-])nn1 ZINC000827817167 604701100 /nfs/dbraw/zinc/70/11/00/604701100.db2.gz JBZHVFBUNOKIEP-IUCAKERBSA-N -1 0 322.321 -0.022 20 0 DBADRM COc1ncc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cn1 ZINC000832648483 604706235 /nfs/dbraw/zinc/70/62/35/604706235.db2.gz GWCOONMRCKGRGI-UHFFFAOYSA-N -1 0 307.266 -0.439 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)CCO1 ZINC000825295393 604709855 /nfs/dbraw/zinc/70/98/55/604709855.db2.gz UPMLGALFWOVOGA-BDAKNGLRSA-N -1 0 322.383 -0.307 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)CCO1 ZINC000825295395 604710157 /nfs/dbraw/zinc/71/01/57/604710157.db2.gz UPMLGALFWOVOGA-IUCAKERBSA-N -1 0 322.383 -0.307 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NC1CCS(=O)(=O)CC1 ZINC000831383591 604710997 /nfs/dbraw/zinc/71/09/97/604710997.db2.gz WMCAKPWOHXURCX-JTQLQIEISA-N -1 0 320.367 -0.551 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824908421 604711299 /nfs/dbraw/zinc/71/12/99/604711299.db2.gz TXDBPVGUSUZFDQ-VXGBXAGGSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824908045 604711385 /nfs/dbraw/zinc/71/13/85/604711385.db2.gz PZDTXTOKMPIYHY-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000824908418 604711456 /nfs/dbraw/zinc/71/14/56/604711456.db2.gz TXDBPVGUSUZFDQ-NEPJUHHUSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)CCO1 ZINC000825302793 604718983 /nfs/dbraw/zinc/71/89/83/604718983.db2.gz SNJXNXGNBHJBBL-KOLCDFICSA-N -1 0 313.354 -0.262 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCC(=O)NCC(F)(F)F)C1 ZINC000831488944 604724207 /nfs/dbraw/zinc/72/42/07/604724207.db2.gz LVHWXIRRUXZSAW-LURJTMIESA-N -1 0 313.232 -0.840 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@@H](O)C2CCOCC2)CCO1 ZINC000825294105 604725923 /nfs/dbraw/zinc/72/59/23/604725923.db2.gz JXTLKJJPZDJHAZ-DLOVCJGASA-N -1 0 316.354 -0.343 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@@H](O)C2CCOCC2)CCO1 ZINC000825294108 604726016 /nfs/dbraw/zinc/72/60/16/604726016.db2.gz JXTLKJJPZDJHAZ-WCQGTBRESA-N -1 0 316.354 -0.343 20 0 DBADRM CCN1C[C@H](C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)CC1=O ZINC000827198692 604730177 /nfs/dbraw/zinc/73/01/77/604730177.db2.gz JWGKYGZGEACOBI-MXWKQRLJSA-N -1 0 313.354 -0.262 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000829955753 604730709 /nfs/dbraw/zinc/73/07/09/604730709.db2.gz SEKAZHIJZLCGPM-QMMMGPOBSA-N -1 0 315.326 -0.735 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)Cn1cc([C@@H](C)O)nn1 ZINC000829960598 604730724 /nfs/dbraw/zinc/73/07/24/604730724.db2.gz JTUVDDOQDUEGSU-PSASIEDQSA-N -1 0 300.315 -0.721 20 0 DBADRM COC(=O)Cn1cc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000828700203 604732588 /nfs/dbraw/zinc/73/25/88/604732588.db2.gz QZUGZNKIHZPQLL-SECBINFHSA-N -1 0 312.282 -0.627 20 0 DBADRM COCCCN(CCOC)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828950695 604732810 /nfs/dbraw/zinc/73/28/10/604732810.db2.gz PPPBGOYSAZFPBX-LLVKDONJSA-N -1 0 304.343 -0.123 20 0 DBADRM COC(=O)Cn1cc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000828700204 604732874 /nfs/dbraw/zinc/73/28/74/604732874.db2.gz QZUGZNKIHZPQLL-VIFPVBQESA-N -1 0 312.282 -0.627 20 0 DBADRM COC(=O)C1(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCCC1 ZINC000828623311 604742467 /nfs/dbraw/zinc/74/24/67/604742467.db2.gz BQBWAQZSURRKSW-VIFPVBQESA-N -1 0 300.311 -0.033 20 0 DBADRM COC(=O)C1(O)CCN(C(=O)[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000833701614 604747990 /nfs/dbraw/zinc/74/79/90/604747990.db2.gz DXLBWKTXJUCCQS-SECBINFHSA-N -1 0 302.327 -0.195 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000262488907 604748062 /nfs/dbraw/zinc/74/80/62/604748062.db2.gz LSIROEWXTFJRBY-UHFFFAOYSA-N -1 0 300.355 -0.023 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000739514923 604749586 /nfs/dbraw/zinc/74/95/86/604749586.db2.gz BPMWHFAZDLWQDR-VIFPVBQESA-N -1 0 319.383 -0.474 20 0 DBADRM O=C(COc1ccccc1)NCC(=O)NC1CN(C(=O)[O-])C1 ZINC000740379459 604752130 /nfs/dbraw/zinc/75/21/30/604752130.db2.gz TZCFUCVANCWQMJ-UHFFFAOYSA-N -1 0 307.306 -0.340 20 0 DBADRM COC(=O)N1CCC(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828705095 604753132 /nfs/dbraw/zinc/75/31/32/604753132.db2.gz QTKOTBGZIBHGIC-SNVBAGLBSA-N -1 0 315.326 -0.288 20 0 DBADRM O=C(Cc1csc(-c2nc[nH]n2)n1)NC1CN(C(=O)[O-])C1 ZINC000740386417 604755870 /nfs/dbraw/zinc/75/58/70/604755870.db2.gz DAPBTWBWLVDYQM-UHFFFAOYSA-N -1 0 308.323 -0.051 20 0 DBADRM CC(=O)N(C)C1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823537080 604756539 /nfs/dbraw/zinc/75/65/39/604756539.db2.gz DLHRBHMNGWCUTA-LBPRGKRZSA-N -1 0 313.354 -0.166 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC1CN(C(=O)[O-])C1 ZINC000740366494 604764142 /nfs/dbraw/zinc/76/41/42/604764142.db2.gz GEBHEUOFPBEQSA-AOOOYVTPSA-N -1 0 309.322 -0.360 20 0 DBADRM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CN(C(=O)[O-])C1 ZINC000739373420 604768932 /nfs/dbraw/zinc/76/89/32/604768932.db2.gz JLZSWJVEYYIATG-SNVBAGLBSA-N -1 0 319.383 -0.331 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NC2CN(C(=O)[O-])C2)o1 ZINC000739610689 604772658 /nfs/dbraw/zinc/77/26/58/604772658.db2.gz HTUZEBJHJSFOII-UHFFFAOYSA-N -1 0 317.323 -0.378 20 0 DBADRM O=C([O-])N1CC(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000740402973 604777636 /nfs/dbraw/zinc/77/76/36/604777636.db2.gz FMJMCPQGDABRHL-BQBZGAKWSA-N -1 0 309.244 -0.078 20 0 DBADRM CCN(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)[C@H]1CC(=O)NC1=O ZINC000826975239 604792909 /nfs/dbraw/zinc/79/29/09/604792909.db2.gz AXCVZTNQXGTKGZ-IUCAKERBSA-N -1 0 313.310 -0.981 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000823755086 604798424 /nfs/dbraw/zinc/79/84/24/604798424.db2.gz WRFFZQQRIYLXCK-VIFPVBQESA-N -1 0 301.343 -0.356 20 0 DBADRM C[C@@H]1[C@@H](C)N(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CCN1C ZINC000833586503 604803143 /nfs/dbraw/zinc/80/31/43/604803143.db2.gz GEZIDXDTAQJOMA-NXEZZACHSA-N -1 0 316.383 -0.319 20 0 DBADRM C[C@@H]1[C@H](C)N(C)CCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833586509 604803268 /nfs/dbraw/zinc/80/32/68/604803268.db2.gz GEZIDXDTAQJOMA-VHSXEESVSA-N -1 0 316.383 -0.319 20 0 DBADRM C[C@@H]1OCC[C@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000833634533 604805375 /nfs/dbraw/zinc/80/53/75/604805375.db2.gz MXGFRSNIUNRALN-NWDGAFQWSA-N -1 0 300.355 -0.343 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000827249157 604807307 /nfs/dbraw/zinc/80/73/07/604807307.db2.gz IXTMYHNGKQMVMK-NXEZZACHSA-N -1 0 313.358 -0.158 20 0 DBADRM O=C([O-])NC[C@H]1CCN(C(=O)CNC(=O)c2cccnc2)C1 ZINC000832583238 604808057 /nfs/dbraw/zinc/80/80/57/604808057.db2.gz NLEFJIIHKCGIPV-SNVBAGLBSA-N -1 0 306.322 -0.073 20 0 DBADRM CCNC(=O)N1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000829795168 604808362 /nfs/dbraw/zinc/80/83/62/604808362.db2.gz QMNYGWQUVZBWJM-SECBINFHSA-N -1 0 307.372 -0.616 20 0 DBADRM CC(=O)NC1CCC(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823574951 604809371 /nfs/dbraw/zinc/80/93/71/604809371.db2.gz KXTRGVJDDRQMMG-MCIGGMRASA-N -1 0 313.354 -0.071 20 0 DBADRM NC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831208008 604810885 /nfs/dbraw/zinc/81/08/85/604810885.db2.gz IHEBYOCEZLODNA-ZJUUUORDSA-N -1 0 314.342 -0.585 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000823557104 604818149 /nfs/dbraw/zinc/81/81/49/604818149.db2.gz UHJJXWAZCRQAQX-ADEWGFFLSA-N -1 0 313.354 -0.119 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000823557110 604818324 /nfs/dbraw/zinc/81/83/24/604818324.db2.gz UHJJXWAZCRQAQX-ZMLRMANQSA-N -1 0 313.354 -0.119 20 0 DBADRM NC(=O)C1CCC(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831174122 604819033 /nfs/dbraw/zinc/81/90/33/604819033.db2.gz QSWVPRIOQSBRCA-ILDUYXDCSA-N -1 0 313.354 -0.084 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)NCCO)cc1Cl ZINC000833254512 604823086 /nfs/dbraw/zinc/82/30/86/604823086.db2.gz NERSAIRRDRFUAP-UHFFFAOYSA-N -1 0 316.697 -0.150 20 0 DBADRM COCCC(=O)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000828929619 604829371 /nfs/dbraw/zinc/82/93/71/604829371.db2.gz KTNRLGMVBLSZIR-UHFFFAOYSA-N -1 0 313.310 -0.344 20 0 DBADRM CCOC(=O)N1CCN(CCc2cn(CC(=O)[O-])nn2)CC1 ZINC000829861365 604830826 /nfs/dbraw/zinc/83/08/26/604830826.db2.gz PCMJQFRHYNUYCJ-UHFFFAOYSA-N -1 0 311.342 -0.321 20 0 DBADRM O=C([O-])Cn1cc(CCN2CCN(C(=O)C3CC3)CC2)nn1 ZINC000833269635 604832487 /nfs/dbraw/zinc/83/24/87/604832487.db2.gz FPJMJCXXEQKZDQ-UHFFFAOYSA-N -1 0 307.354 -0.541 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000824809543 604836559 /nfs/dbraw/zinc/83/65/59/604836559.db2.gz HTHLMXRDZCCLEV-DTWKUNHWSA-N -1 0 307.372 -0.139 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000827065960 604836671 /nfs/dbraw/zinc/83/66/71/604836671.db2.gz GTFFOMAQARGUHX-UHFFFAOYSA-N -1 0 319.339 -0.728 20 0 DBADRM CC(=O)N1CCC(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823550547 604838393 /nfs/dbraw/zinc/83/83/93/604838393.db2.gz TZMSHNYNYJEXNV-LBPRGKRZSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)/C=C/c2cnccn2)nn1 ZINC000833271492 604839575 /nfs/dbraw/zinc/83/95/75/604839575.db2.gz FABRIGJEZJEJCQ-OWOJBTEDSA-N -1 0 303.278 -0.048 20 0 DBADRM CC[C@@H](O)CN1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000826626614 604842389 /nfs/dbraw/zinc/84/23/89/604842389.db2.gz WTLALYASJJBITP-NEPJUHHUSA-N -1 0 315.370 -0.720 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N[C@@H](CC(=O)OC)C(=O)[O-])C1 ZINC000828558241 604845050 /nfs/dbraw/zinc/84/50/50/604845050.db2.gz RTSTULVQJUNVJG-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC000828558097 604850434 /nfs/dbraw/zinc/85/04/34/604850434.db2.gz QKOZZYWYBYCNJL-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC000828558099 604850461 /nfs/dbraw/zinc/85/04/61/604850461.db2.gz QKOZZYWYBYCNJL-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM CN(C)C(=O)CN1CCN([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC000833687950 604860412 /nfs/dbraw/zinc/86/04/12/604860412.db2.gz DNHLQCMLZBKYQL-CQSZACIVSA-N -1 0 306.366 -0.087 20 0 DBADRM CC(C)(C)n1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000819940592 604861193 /nfs/dbraw/zinc/86/11/93/604861193.db2.gz SKSGHNATFOJPFH-JTQLQIEISA-N -1 0 324.337 -0.111 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000827229190 604861658 /nfs/dbraw/zinc/86/16/58/604861658.db2.gz WRMGDGSDNCIDTI-RYUDHWBXSA-N -1 0 315.370 -0.408 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCCOC[C@H]2CCOC2)C1 ZINC000831680319 604868347 /nfs/dbraw/zinc/86/83/47/604868347.db2.gz GMMDEXWDSSGNFX-NEPJUHHUSA-N -1 0 316.354 -0.075 20 0 DBADRM CC(C)NC(=O)CNC(=S)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833501794 604870633 /nfs/dbraw/zinc/87/06/33/604870633.db2.gz JLUZTZQSTJLBTP-LLVKDONJSA-N -1 0 317.411 -0.457 20 0 DBADRM C[C@@H](O)CCNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736678471 604870812 /nfs/dbraw/zinc/87/08/12/604870812.db2.gz SZEQUEBARNIFHR-SECBINFHSA-N -1 0 310.306 -0.024 20 0 DBADRM CN(C)C(=O)CNC(=S)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833688217 604871546 /nfs/dbraw/zinc/87/15/46/604871546.db2.gz MBGZWIVLTDYIAP-JTQLQIEISA-N -1 0 303.384 -0.893 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N(C)C1(C(=O)[O-])CCCCC1)C(N)=O ZINC000833398005 604873903 /nfs/dbraw/zinc/87/39/03/604873903.db2.gz VKSUPYHBAUZYPD-JTQLQIEISA-N -1 0 313.354 -0.388 20 0 DBADRM CC(=O)NCCNC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000823580462 604874555 /nfs/dbraw/zinc/87/45/55/604874555.db2.gz SPMGIWMPKJQBTK-WCBMZHEXSA-N -1 0 316.358 -0.075 20 0 DBADRM CCNC(=O)CNC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000827242039 604875519 /nfs/dbraw/zinc/87/55/19/604875519.db2.gz HRCSWDHWYLOHGU-RKDXNWHRSA-N -1 0 316.358 -0.075 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000832051797 604876098 /nfs/dbraw/zinc/87/60/98/604876098.db2.gz ZBFKKGSXUWTFNJ-RYUDHWBXSA-N -1 0 313.354 -0.702 20 0 DBADRM CNC(=O)CCNC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828537205 604876892 /nfs/dbraw/zinc/87/68/92/604876892.db2.gz DGCSVBMUUOKNDP-IUCAKERBSA-N -1 0 316.358 -0.075 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)c1cnccc1C(=O)[O-] ZINC000831160043 604879500 /nfs/dbraw/zinc/87/95/00/604879500.db2.gz MHHOEVWJYRWUIR-UHFFFAOYSA-N -1 0 310.262 -0.384 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000831591569 604893743 /nfs/dbraw/zinc/89/37/43/604893743.db2.gz KYNLBHISFNUELJ-BDAKNGLRSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000831591572 604893956 /nfs/dbraw/zinc/89/39/56/604893956.db2.gz KYNLBHISFNUELJ-RKDXNWHRSA-N -1 0 306.340 -0.941 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)N[C@H]2CC[S@](=O)C2)CCO1 ZINC000825308437 604895296 /nfs/dbraw/zinc/89/52/96/604895296.db2.gz FZIZYHWPNCFGSY-TWJDXUGASA-N -1 0 319.383 -0.426 20 0 DBADRM COc1ccccc1[C@H](O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000829610235 604895436 /nfs/dbraw/zinc/89/54/36/604895436.db2.gz ANSCRAAWFYQJCX-ADEWGFFLSA-N -1 0 324.333 -0.042 20 0 DBADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1CCc1cn(CC(=O)[O-])nn1 ZINC000833589982 604896373 /nfs/dbraw/zinc/89/63/73/604896373.db2.gz XXOZYHSMPLMCQN-ZLMDCXFVSA-N -1 0 300.384 -0.254 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@H](O)COc1ccccc1 ZINC000831621642 604897677 /nfs/dbraw/zinc/89/76/77/604897677.db2.gz OPYLVJIOQZFWKD-WCQYABFASA-N -1 0 324.333 -0.079 20 0 DBADRM COc1cccc([C@H](O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000829543350 604902565 /nfs/dbraw/zinc/90/25/65/604902565.db2.gz IYKYPRMVNQTMNV-KGYLQXTDSA-N -1 0 324.333 -0.042 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000824809925 604903029 /nfs/dbraw/zinc/90/30/29/604903029.db2.gz MKNQVZFMXUTGKU-UWVGGRQHSA-N -1 0 322.383 -0.305 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCN2CCSCC2)C1 ZINC000831688970 604903667 /nfs/dbraw/zinc/90/36/67/604903667.db2.gz HQJWAMJZMJOMGH-JTQLQIEISA-N -1 0 303.384 -0.470 20 0 DBADRM CCN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)[C@@H](C)CS(C)(=O)=O ZINC000826970375 604904140 /nfs/dbraw/zinc/90/41/40/604904140.db2.gz QKDYFJGUOBPIHP-VHSXEESVSA-N -1 0 322.383 -0.353 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)Nc2cncc(C(=O)[O-])c2)nn1 ZINC000830557614 604906077 /nfs/dbraw/zinc/90/60/77/604906077.db2.gz YRGVBWWALPOHAF-UHFFFAOYSA-N -1 0 318.293 -0.288 20 0 DBADRM O=C([O-])NCCNC(=O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000832641629 604906585 /nfs/dbraw/zinc/90/65/85/604906585.db2.gz CQMZGDLPKQXCIR-UHFFFAOYSA-N -1 0 305.241 -0.530 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)CC(=O)N1CCN(C)CC1 ZINC000833506227 604908771 /nfs/dbraw/zinc/90/87/71/604908771.db2.gz VNYXGSWRWFNONQ-LBPRGKRZSA-N -1 0 301.387 -0.430 20 0 DBADRM COCCN(CC(=O)OC)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828980194 604909953 /nfs/dbraw/zinc/90/99/53/604909953.db2.gz WXJMXZWBSYIISF-JTQLQIEISA-N -1 0 318.326 -0.597 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827471170 604910456 /nfs/dbraw/zinc/91/04/56/604910456.db2.gz GTZLWTHNZXLYQJ-UWVGGRQHSA-N -1 0 322.383 -0.353 20 0 DBADRM CN(CCNC(=O)C(=O)Nc1cnn(CC2CC2)c1)C(=O)[O-] ZINC000828316151 604911648 /nfs/dbraw/zinc/91/16/48/604911648.db2.gz LYDBGBLSNYFNAU-UHFFFAOYSA-N -1 0 309.326 -0.042 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])cn1 ZINC000831009419 604914157 /nfs/dbraw/zinc/91/41/57/604914157.db2.gz TYXSESJIWPXFND-SCZZXKLOSA-N -1 0 309.326 -0.089 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC[C@@H](CNC(=O)[O-])C2)cn1 ZINC000831008863 604914309 /nfs/dbraw/zinc/91/43/09/604914309.db2.gz DUGWNUDJGZNHMM-VIFPVBQESA-N -1 0 309.326 -0.135 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)[O-] ZINC000833437218 604915760 /nfs/dbraw/zinc/91/57/60/604915760.db2.gz FKRKVYRLGNMKHG-ZETCQYMHSA-N -1 0 303.315 -0.654 20 0 DBADRM COc1ccc(C[C@H](CO)CNC(=O)CNC(=O)[O-])cc1O ZINC000829341539 604925343 /nfs/dbraw/zinc/92/53/43/604925343.db2.gz KJUDRANURFHTQU-JTQLQIEISA-N -1 0 312.322 -0.064 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)COC1CN(C(=O)[O-])C1 ZINC000824809875 604927281 /nfs/dbraw/zinc/92/72/81/604927281.db2.gz LJAULYGQKGWCCM-QMMMGPOBSA-N -1 0 308.356 -0.695 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@@H](C)C(=O)[O-] ZINC000833023002 604942036 /nfs/dbraw/zinc/94/20/36/604942036.db2.gz OHBTYMWSYXSCPD-LURJTMIESA-N -1 0 305.312 -0.841 20 0 DBADRM C[C@H]1CN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCS1(=O)=O ZINC000825984134 604944067 /nfs/dbraw/zinc/94/40/67/604944067.db2.gz UMWOMWSDGMPCOT-UWVGGRQHSA-N -1 0 320.367 -0.599 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000826094449 604946668 /nfs/dbraw/zinc/94/66/68/604946668.db2.gz YQBAYTLOOMWIIO-DTWKUNHWSA-N -1 0 306.340 -0.989 20 0 DBADRM CSC[C@](C)(O)CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000829716782 604947307 /nfs/dbraw/zinc/94/73/07/604947307.db2.gz ORYYFIZNBMNANW-JOYOIKCWSA-N -1 0 306.384 -0.015 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000739747410 604953189 /nfs/dbraw/zinc/95/31/89/604953189.db2.gz HBRRKDPPDYJNMU-NSCUHMNNSA-N -1 0 304.306 -0.067 20 0 DBADRM COC(=O)[C@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1ccccn1 ZINC000828606489 604967007 /nfs/dbraw/zinc/96/70/07/604967007.db2.gz BGLHSVDQFIYHIY-WDEREUQCSA-N -1 0 323.305 -0.209 20 0 DBADRM NC(=O)NC1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831208479 604969252 /nfs/dbraw/zinc/96/92/52/604969252.db2.gz PUYHBSDHFZMPHU-JTQLQIEISA-N -1 0 314.342 -0.585 20 0 DBADRM O=C([O-])NCCCC(=O)N(CCO)CCN1CCOCC1 ZINC000833279803 604970246 /nfs/dbraw/zinc/97/02/46/604970246.db2.gz DPIGDSUEVUHJSD-UHFFFAOYSA-N -1 0 303.359 -0.813 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000831699081 604970868 /nfs/dbraw/zinc/97/08/68/604970868.db2.gz CCAVMFRQBBTDMB-SNVBAGLBSA-N -1 0 320.367 -0.694 20 0 DBADRM COCC[C@@](C)(O)CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828933651 604972223 /nfs/dbraw/zinc/97/22/23/604972223.db2.gz FPHABMLSPLEJQF-GXFFZTMASA-N -1 0 304.343 -0.341 20 0 DBADRM Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H](C)NC(=O)[O-])CCO2)n1 ZINC000830735730 604976672 /nfs/dbraw/zinc/97/66/72/604976672.db2.gz UCOKKXUTOFHDNL-KWQFWETISA-N -1 0 311.342 -0.222 20 0 DBADRM C[C@@H](C(=O)Nc1ncccn1)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833412652 604977620 /nfs/dbraw/zinc/97/76/20/604977620.db2.gz WFXDPISBXRXTOP-ONGXEEELSA-N -1 0 308.338 -0.039 20 0 DBADRM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)[C@H](C)NC(=O)[O-])C2)C1=O ZINC000833498679 604980707 /nfs/dbraw/zinc/98/07/07/604980707.db2.gz CILPRFVZCDNPSG-ISVAXAHUSA-N -1 0 312.326 -0.426 20 0 DBADRM CC(=O)N[C@H]1Cc2ccccc2N(CC(=O)NCC(=O)[O-])C1 ZINC000819737217 604986041 /nfs/dbraw/zinc/98/60/41/604986041.db2.gz ITCDUUMBZKWPHR-LBPRGKRZSA-N -1 0 305.334 -0.245 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000833501764 604993907 /nfs/dbraw/zinc/99/39/07/604993907.db2.gz JCGPDMJSAKPERY-MRVPVSSYSA-N -1 0 309.313 -0.333 20 0 DBADRM CCn1ccc(=O)n(CC(=O)NC2(C(=O)[O-])CCCCC2)c1=O ZINC000833683326 605002948 /nfs/dbraw/zinc/00/29/48/605002948.db2.gz KZWDWQXOYUODBZ-UHFFFAOYSA-N -1 0 323.349 -0.066 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)nc2)C[C@H]1C(=O)[O-] ZINC000833625473 605010144 /nfs/dbraw/zinc/01/01/44/605010144.db2.gz YCNRPTQSLFCFQU-IONNQARKSA-N -1 0 313.335 -0.478 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CC(=O)[O-])cn1 ZINC000833761852 605010520 /nfs/dbraw/zinc/01/05/20/605010520.db2.gz BKXOVQNXPQFQME-VIFPVBQESA-N -1 0 313.335 -0.192 20 0 DBADRM CC[C@@H](OC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000833646069 605014115 /nfs/dbraw/zinc/01/41/15/605014115.db2.gz SCQAIYRKRITTHM-MRVPVSSYSA-N -1 0 319.339 -0.587 20 0 DBADRM CC(=O)NCCNS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833397144 605014316 /nfs/dbraw/zinc/01/43/16/605014316.db2.gz GVCCKSFIGAXTJR-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCSC[C@H]1C(N)=O)C(=O)[O-] ZINC000833476798 605015425 /nfs/dbraw/zinc/01/54/25/605015425.db2.gz DNETZBHXBAPWQC-UWVGGRQHSA-N -1 0 317.411 -0.495 20 0 DBADRM C[C@H](OC(=O)c1cncc(C(=O)[O-])c1)C(=O)N1CCNC1=O ZINC000833534789 605017124 /nfs/dbraw/zinc/01/71/24/605017124.db2.gz CTRVGUNJIGACOL-ZETCQYMHSA-N -1 0 307.262 -0.123 20 0 DBADRM CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833502871 605025554 /nfs/dbraw/zinc/02/55/54/605025554.db2.gz VZQCAHBYFJMZIL-UHFFFAOYSA-N -1 0 324.337 -0.355 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(N)=O ZINC000833468367 605026633 /nfs/dbraw/zinc/02/66/33/605026633.db2.gz AULVUJSOVNZCJI-LURJTMIESA-N -1 0 307.353 -0.371 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)N1CCN(C(=O)[O-])CC1 ZINC000833678384 605026909 /nfs/dbraw/zinc/02/69/09/605026909.db2.gz PYFCFGBTWXLJKM-UHFFFAOYSA-N -1 0 309.326 -0.257 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC000833687981 605028179 /nfs/dbraw/zinc/02/81/79/605028179.db2.gz FRRSPESIWOVJGX-UHFFFAOYSA-N -1 0 320.349 -0.374 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)c1cncc(C(=O)[O-])c1 ZINC000833666011 605029096 /nfs/dbraw/zinc/02/90/96/605029096.db2.gz PZFMVOYMHXEFJJ-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000833547356 605042924 /nfs/dbraw/zinc/04/29/24/605042924.db2.gz SBEZOYNRFJMBFN-BDAKNGLRSA-N -1 0 307.306 -0.319 20 0 DBADRM CC(=O)N(C)c1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000833387976 605044416 /nfs/dbraw/zinc/04/44/16/605044416.db2.gz FZBPBHPYWZLLHH-NSHDSACASA-N -1 0 316.335 -0.607 20 0 DBADRM CCOC(=O)[C@H](C)CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000833657025 605048292 /nfs/dbraw/zinc/04/82/92/605048292.db2.gz PTNPFINXNSAKKD-ZCFIWIBFSA-N -1 0 319.339 -0.106 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC2(CO)COC2)ccc1F ZINC000833779726 605051494 /nfs/dbraw/zinc/05/14/94/605051494.db2.gz GSEDMXZYGJZXJZ-UHFFFAOYSA-N -1 0 319.310 -0.189 20 0 DBADRM CC(C)(C)[C@H](NC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC000833422317 605053172 /nfs/dbraw/zinc/05/31/72/605053172.db2.gz DFJCHXQBXCAYDU-SECBINFHSA-N -1 0 315.351 -0.042 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)cn1 ZINC000833762018 605053851 /nfs/dbraw/zinc/05/38/51/605053851.db2.gz JWASWDYAFSNLGK-SECBINFHSA-N -1 0 313.335 -0.288 20 0 DBADRM CC[S@](=O)CCNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833668471 605053895 /nfs/dbraw/zinc/05/38/95/605053895.db2.gz QHEZLCUYTJQQKN-MQJDWESPSA-N -1 0 319.427 -0.055 20 0 DBADRM CC(C)(CNC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC000833459465 605054064 /nfs/dbraw/zinc/05/40/64/605054064.db2.gz XFKGNBQNLGFYES-UHFFFAOYSA-N -1 0 301.324 -0.430 20 0 DBADRM C[C@H]1CN(C(=O)c2ccnc3c(C(N)=O)cnn32)C[C@@H]1C(=O)[O-] ZINC000833626491 605054458 /nfs/dbraw/zinc/05/44/58/605054458.db2.gz XLHGHQMRTBKLDT-CBAPKCEASA-N -1 0 317.305 -0.379 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)OCCN1C(=O)NC(C)(C)C1=O ZINC000827543469 605074392 /nfs/dbraw/zinc/07/43/92/605074392.db2.gz BPIRPUQWJFXLEZ-ZETCQYMHSA-N -1 0 301.299 -0.094 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000831645905 605075612 /nfs/dbraw/zinc/07/56/12/605075612.db2.gz FZJZZTRWZIFQPW-RKDXNWHRSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)OCCNC(=O)c2cccnc2)C1 ZINC000831693036 605081438 /nfs/dbraw/zinc/08/14/38/605081438.db2.gz GOUCSOSVWIWSGK-NSHDSACASA-N -1 0 323.305 -0.267 20 0 DBADRM CC(=O)N1CC[C@H](COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823549694 605087673 /nfs/dbraw/zinc/08/76/73/605087673.db2.gz IWSMFEMPSBDYEO-QWRGUYRKSA-N -1 0 300.311 -0.223 20 0 DBADRM CN(C)C(=O)CCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000166147560 605088194 /nfs/dbraw/zinc/08/81/94/605088194.db2.gz IIKDMVKKQIXQFS-UHFFFAOYSA-N -1 0 301.343 -0.355 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])[C@@H]1c1cccnc1 ZINC000833698097 605089339 /nfs/dbraw/zinc/08/93/39/605089339.db2.gz NLMMQAHSKOEENG-SCVCMEIPSA-N -1 0 307.306 -0.837 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000738911638 605092298 /nfs/dbraw/zinc/09/22/98/605092298.db2.gz MXXJUURHPNTZDX-MNOVXSKESA-N -1 0 300.359 -0.241 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](NC(=O)[O-])C1)CC2 ZINC000740230123 605098943 /nfs/dbraw/zinc/09/89/43/605098943.db2.gz BVNJMMZPUOXUMD-ZJUUUORDSA-N -1 0 308.342 -0.047 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)c1 ZINC000740335038 605112672 /nfs/dbraw/zinc/11/26/72/605112672.db2.gz FNFJOXXLGLYDKB-JTQLQIEISA-N -1 0 320.305 -0.408 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCS(=O)(=O)CC1CC1 ZINC000831699437 605121832 /nfs/dbraw/zinc/12/18/32/605121832.db2.gz JBQYLEFVIIGMKT-NXEZZACHSA-N -1 0 320.367 -0.959 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000740033520 605124491 /nfs/dbraw/zinc/12/44/91/605124491.db2.gz RNWWLZCMFYFFCO-VIFPVBQESA-N -1 0 319.321 -0.258 20 0 DBADRM C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@H](NC(=O)[O-])C2)CC1=O ZINC000828031522 605133555 /nfs/dbraw/zinc/13/35/55/605133555.db2.gz QNOKJAMXBINIGR-QWRGUYRKSA-N -1 0 312.370 -0.735 20 0 DBADRM COCCn1cc(C(=O)N2CC[C@H](NC(=O)[O-])C2)ccc1=O ZINC000739838324 605134816 /nfs/dbraw/zinc/13/48/16/605134816.db2.gz CSIZGIBASUWRSC-NSHDSACASA-N -1 0 309.322 -0.023 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000833740078 605138502 /nfs/dbraw/zinc/13/85/02/605138502.db2.gz ARBNVBMPHDLQHP-WPRPVWTQSA-N -1 0 300.311 -0.177 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000833740077 605138632 /nfs/dbraw/zinc/13/86/32/605138632.db2.gz ARBNVBMPHDLQHP-WCBMZHEXSA-N -1 0 300.311 -0.177 20 0 DBADRM C[C@H]1CN(C(=O)NCCCCC(=O)[O-])CCN1S(C)(=O)=O ZINC000820927767 605146797 /nfs/dbraw/zinc/14/67/97/605146797.db2.gz HGMPGZFPTHMREH-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CC(C)C[C@H](CO)NC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000824203714 605157654 /nfs/dbraw/zinc/15/76/54/605157654.db2.gz KYYAMVFBZBPTGX-GFCCVEGCSA-N -1 0 316.402 -0.012 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)CN1CC[C@H](NC(=O)[O-])C1 ZINC000739390290 605161186 /nfs/dbraw/zinc/16/11/86/605161186.db2.gz SVCCMZZDKXXIQA-NSHDSACASA-N -1 0 314.386 -0.299 20 0 DBADRM NC(=O)c1ccc(NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cn1 ZINC000833762346 605162850 /nfs/dbraw/zinc/16/28/50/605162850.db2.gz KPBONBNEMVLVMR-LLVKDONJSA-N -1 0 322.321 -0.130 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC000833687876 605171729 /nfs/dbraw/zinc/17/17/29/605171729.db2.gz ZYAMZBBETQOQOO-UHFFFAOYSA-N -1 0 313.335 -0.021 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CN1C[C@H](C(=O)[O-])CC1=O ZINC000833588793 605172911 /nfs/dbraw/zinc/17/29/11/605172911.db2.gz RUHORKDEWZKHNY-KXUCPTDWSA-N -1 0 304.368 -0.616 20 0 DBADRM O=C([O-])NCc1nnnn1CCn1cnc2ccccc2c1=O ZINC000832743838 605176710 /nfs/dbraw/zinc/17/67/10/605176710.db2.gz AFODFJJUUOGHOV-UHFFFAOYSA-N -1 0 315.293 -0.149 20 0 DBADRM CS(=O)(=O)CCN(CN1C[C@@H](C(=O)[O-])CC1=O)C1CC1 ZINC000833738060 605177504 /nfs/dbraw/zinc/17/75/04/605177504.db2.gz MSAYDJJOSRANPH-VIFPVBQESA-N -1 0 304.368 -0.614 20 0 DBADRM Nc1ncnc2c1ncn2CCCn1nnnc1CNC(=O)[O-] ZINC000831265990 605178453 /nfs/dbraw/zinc/17/84/53/605178453.db2.gz XIJAMQGAZSUCNN-UHFFFAOYSA-N -1 0 318.301 -0.747 20 0 DBADRM CCc1nc([C@@H]2CN(C(=O)NC3CN(C(=O)[O-])C3)CCO2)n[nH]1 ZINC000827620923 605180228 /nfs/dbraw/zinc/18/02/28/605180228.db2.gz OFQMHPLTWRKCAA-VIFPVBQESA-N -1 0 324.341 -0.188 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000824959955 605185060 /nfs/dbraw/zinc/18/50/60/605185060.db2.gz ONGHFNKTSJURHT-BDAKNGLRSA-N -1 0 307.372 -0.139 20 0 DBADRM Cc1[nH]c(C(=O)NCC(=O)N2CCOCC2)c(C)c1C(=O)[O-] ZINC000833739390 605186523 /nfs/dbraw/zinc/18/65/23/605186523.db2.gz DGVXQPQJUDJXIB-UHFFFAOYSA-N -1 0 309.322 -0.082 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000694171001 605189180 /nfs/dbraw/zinc/18/91/80/605189180.db2.gz FRRYSPVRXXFIIQ-UHFFFAOYSA-N -1 0 302.308 -0.169 20 0 DBADRM C[C@@]1(O)CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000163093092 605197675 /nfs/dbraw/zinc/19/76/75/605197675.db2.gz BRRABZXNIXUKGX-GFCCVEGCSA-N -1 0 306.384 -0.125 20 0 DBADRM C[C@H](NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC000825077268 605200079 /nfs/dbraw/zinc/20/00/79/605200079.db2.gz WTTVWIKKVRMIKF-OUJBWJOFSA-N -1 0 303.334 -0.086 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCc3ncccc32)C(=O)C1 ZINC000832031688 605202103 /nfs/dbraw/zinc/20/21/03/605202103.db2.gz XMJJOLVAJWZFLM-UHFFFAOYSA-N -1 0 304.306 -0.207 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)Nc1ncccn1 ZINC000825572560 605203740 /nfs/dbraw/zinc/20/37/40/605203740.db2.gz VTPFRSBHUWUAKG-IUCAKERBSA-N -1 0 324.293 -0.274 20 0 DBADRM CN(CC1CC1)C(=O)COC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828171272 605206305 /nfs/dbraw/zinc/20/63/05/605206305.db2.gz ZNMBWLQSSZSJJC-JTQLQIEISA-N -1 0 300.311 -0.223 20 0 DBADRM O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NC[C@H]1CCCO1 ZINC000831499126 605206969 /nfs/dbraw/zinc/20/69/69/605206969.db2.gz PWFLYYWLVHUPIY-ZJUUUORDSA-N -1 0 316.310 -0.796 20 0 DBADRM C[C@H](COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)CS(C)(=O)=O ZINC000824986844 605209307 /nfs/dbraw/zinc/20/93/07/605209307.db2.gz KEVKYVOWIPULCI-BDAKNGLRSA-N -1 0 309.340 -0.411 20 0 DBADRM NC(=O)C1(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCOCC1 ZINC000831167735 605220742 /nfs/dbraw/zinc/22/07/42/605220742.db2.gz OOLBQLDPCWHVTA-NSHDSACASA-N -1 0 303.290 -0.771 20 0 DBADRM CC(C)(CC(=O)NC[C@H](O)CN1CCOCC1)NC(=O)[O-] ZINC000823882235 605223550 /nfs/dbraw/zinc/22/35/50/605223550.db2.gz RNCFGFZOLSTYRO-JTQLQIEISA-N -1 0 303.359 -0.768 20 0 DBADRM C[C@H](NC(=O)[C@H]1COCCN1C(=O)[O-])[C@H]1CN(C)CCO1 ZINC000825096141 605224051 /nfs/dbraw/zinc/22/40/51/605224051.db2.gz ZGWZUNFOMNHVBA-HBNTYKKESA-N -1 0 301.343 -0.800 20 0 DBADRM CC(C)(CNC(=O)CCC(=O)N1CCC(O)CC1)C(=O)[O-] ZINC000833458245 605227072 /nfs/dbraw/zinc/22/70/72/605227072.db2.gz PQYZWKZXVSNXNM-UHFFFAOYSA-N -1 0 300.355 -0.023 20 0 DBADRM O=C(COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)NCC1CC1 ZINC000831507352 605227426 /nfs/dbraw/zinc/22/74/26/605227426.db2.gz IQOYXDABUSZFSE-SNVBAGLBSA-N -1 0 300.311 -0.175 20 0 DBADRM C[C@@H](OC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C(=O)NC1CC1 ZINC000825584552 605227605 /nfs/dbraw/zinc/22/76/05/605227605.db2.gz CJRTZOIWDYBPEX-PSASIEDQSA-N -1 0 300.311 -0.034 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)Cc1ccccc1C(=O)[O-] ZINC000390250875 605232288 /nfs/dbraw/zinc/23/22/88/605232288.db2.gz MCTXQBUWEMXQNC-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM C[C@@H](NC(=O)N1CC[C@H](NC(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC000825150982 605232395 /nfs/dbraw/zinc/23/23/95/605232395.db2.gz ZLKBUJYRSXIAKS-VWYCJHECSA-N -1 0 300.359 -0.243 20 0 DBADRM C[C@H](NC(=O)N1CC[C@@H](NC(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC000825145402 605232533 /nfs/dbraw/zinc/23/25/33/605232533.db2.gz ZLKBUJYRSXIAKS-AXFHLTTASA-N -1 0 300.359 -0.243 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)C1 ZINC000828704196 605233201 /nfs/dbraw/zinc/23/32/01/605233201.db2.gz IZJHEPBFOZVBPP-QMMMGPOBSA-N -1 0 300.315 -0.169 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)OCCN(C)S(=O)(=O)N(C)C ZINC000827544407 605237272 /nfs/dbraw/zinc/23/72/72/605237272.db2.gz YXDOUABYTGYYRM-QMMMGPOBSA-N -1 0 311.360 -0.686 20 0 DBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NCCNC(=O)C1CC1 ZINC000831514746 605238299 /nfs/dbraw/zinc/23/82/99/605238299.db2.gz YTMFEPZQOMZMKZ-LLVKDONJSA-N -1 0 313.354 -0.212 20 0 DBADRM CC(C)NC(=O)CNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000824370038 605243618 /nfs/dbraw/zinc/24/36/18/605243618.db2.gz ZCAIRFUIHPHPET-JTQLQIEISA-N -1 0 301.343 -0.214 20 0 DBADRM CC(C)C[C@H](NC(=O)CN(C)CCNC(=O)N(C)C)C(=O)[O-] ZINC000833478268 605244475 /nfs/dbraw/zinc/24/44/75/605244475.db2.gz OVMAKULSGRDCSB-NSHDSACASA-N -1 0 316.402 -0.195 20 0 DBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)N[C@@H]1CCS(=O)(=O)C1 ZINC000831514921 605244677 /nfs/dbraw/zinc/24/46/77/605244677.db2.gz ZTYOKWNITIUWKH-NXEZZACHSA-N -1 0 320.367 -0.551 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)[O-])nc2)C1=O ZINC000833698105 605257368 /nfs/dbraw/zinc/25/73/68/605257368.db2.gz NRNLVOGLTLTDLR-UHFFFAOYSA-N -1 0 306.234 -0.861 20 0 DBADRM CCN(CC(=O)NC)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000827002779 605262836 /nfs/dbraw/zinc/26/28/36/605262836.db2.gz SJOVUAOAYQPELW-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM C[C@H](NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)C(=O)N(C)C ZINC000825121269 605264205 /nfs/dbraw/zinc/26/42/05/605264205.db2.gz KOXLHKMYCOVTQA-UWVGGRQHSA-N -1 0 301.343 -0.262 20 0 DBADRM CC(=O)[C@@H]1CC(C(=O)N[C@H](CO)C(=O)[O-])=NN1c1ccccc1 ZINC000833388607 605267757 /nfs/dbraw/zinc/26/77/57/605267757.db2.gz YMFKROOWWIYHEW-OLZOCXBDSA-N -1 0 319.317 -0.228 20 0 DBADRM CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@H](CO)C(=O)[O-])C1 ZINC000833487535 605268532 /nfs/dbraw/zinc/26/85/32/605268532.db2.gz IYIVJHCFIWWJDH-WDEREUQCSA-N -1 0 315.370 -0.374 20 0 DBADRM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC000833422651 605268886 /nfs/dbraw/zinc/26/88/86/605268886.db2.gz LTSIMOOQXFTQRR-NXEZZACHSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC000833440261 605268891 /nfs/dbraw/zinc/26/88/91/605268891.db2.gz WHYHMBGSUYLNQW-DTWKUNHWSA-N -1 0 302.327 -0.052 20 0 DBADRM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC000833422654 605268938 /nfs/dbraw/zinc/26/89/38/605268938.db2.gz LTSIMOOQXFTQRR-ZJUUUORDSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC000833422652 605269019 /nfs/dbraw/zinc/26/90/19/605269019.db2.gz LTSIMOOQXFTQRR-UWVGGRQHSA-N -1 0 300.355 -0.025 20 0 DBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NC[C@H]1COCCO1 ZINC000831512778 605271263 /nfs/dbraw/zinc/27/12/63/605271263.db2.gz IEMKXALFLWTAHR-MNOVXSKESA-N -1 0 302.327 -0.323 20 0 DBADRM CC1CCC(N2C[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])CC2=O)CC1 ZINC000833602308 605280365 /nfs/dbraw/zinc/28/03/65/605280365.db2.gz BYXZABBKENIEDI-ADPBJBESSA-N -1 0 312.366 -0.025 20 0 DBADRM CC1CCC(N2C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])CC2=O)CC1 ZINC000833602310 605280375 /nfs/dbraw/zinc/28/03/75/605280375.db2.gz BYXZABBKENIEDI-RSJDFQLWSA-N -1 0 312.366 -0.025 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000833767686 605280991 /nfs/dbraw/zinc/28/09/91/605280991.db2.gz MFVIBBVPOQAFRS-NSHDSACASA-N -1 0 308.269 -0.359 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC000833421147 605281334 /nfs/dbraw/zinc/28/13/34/605281334.db2.gz WIHZDOTWEURCCL-ZJUUUORDSA-N -1 0 300.355 -0.167 20 0 DBADRM NC(=O)COc1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000314362895 605282968 /nfs/dbraw/zinc/28/29/68/605282968.db2.gz QBTLIULXGLCHPS-KOLCDFICSA-N -1 0 308.290 -0.789 20 0 DBADRM Cc1nn(C)c2ncc(C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])cc12 ZINC000314244869 605283040 /nfs/dbraw/zinc/28/30/40/605283040.db2.gz JEVIDWKMEPUSAS-KOLCDFICSA-N -1 0 304.306 -0.063 20 0 DBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCn3cnnc3C2)C1 ZINC000831996945 605299927 /nfs/dbraw/zinc/29/99/27/605299927.db2.gz KPFQKRNECCCNMV-SNVBAGLBSA-N -1 0 309.326 -0.221 20 0 DBADRM C[C@H](Cc1noc(Cn2ccc(=O)n(C)c2=O)n1)N(C)C(=O)[O-] ZINC000825047252 605300029 /nfs/dbraw/zinc/30/00/29/605300029.db2.gz DWPHOPCISYTJJG-MRVPVSSYSA-N -1 0 323.309 -0.481 20 0 DBADRM Cc1nnc(CCNC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)[nH]1 ZINC000830746633 605300064 /nfs/dbraw/zinc/30/00/64/605300064.db2.gz NFLOJMRMYGLZCK-SNVBAGLBSA-N -1 0 311.342 -0.069 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCC(=O)NCC2CC2)o1 ZINC000393196442 605301198 /nfs/dbraw/zinc/30/11/98/605301198.db2.gz AIMLSJFESPAAOP-UHFFFAOYSA-N -1 0 302.308 -0.218 20 0 DBADRM CC(C)[C@@H](NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)C(N)=O ZINC000824129600 605301293 /nfs/dbraw/zinc/30/12/93/605301293.db2.gz RPFBUNCEABVBRJ-GXSJLCMTSA-N -1 0 301.343 -0.229 20 0 DBADRM CC(C)CN(CC(N)=O)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134688349 605301441 /nfs/dbraw/zinc/30/14/41/605301441.db2.gz ZYAMQASASVRPPZ-UHFFFAOYSA-N -1 0 321.380 -0.027 20 0 DBADRM CC1(C)C(=O)NCCN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134709421 605301677 /nfs/dbraw/zinc/30/16/77/605301677.db2.gz RXEVWENSXFTRCE-UHFFFAOYSA-N -1 0 319.364 -0.260 20 0 DBADRM O=C([O-])N1CC(OCCC(=O)N2CCN3C(=O)OC[C@@H]3C2)C1 ZINC000834072930 605314251 /nfs/dbraw/zinc/31/42/51/605314251.db2.gz INVIZVQTSIPTBQ-VIFPVBQESA-N -1 0 313.310 -0.582 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000834134963 605318741 /nfs/dbraw/zinc/31/87/41/605318741.db2.gz VPFLRZAHNKFWSQ-PHDIDXHHSA-N -1 0 320.252 -0.960 20 0 DBADRM C[C@H](Cc1noc(-c2cn(C)c(=O)n(C)c2=O)n1)N(C)C(=O)[O-] ZINC000825041206 605319987 /nfs/dbraw/zinc/31/99/87/605319987.db2.gz AVKRGAQJUAFMAO-SSDOTTSWSA-N -1 0 323.309 -0.325 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCC3(COC(=O)N3)CC2)C1 ZINC000834158616 605321318 /nfs/dbraw/zinc/32/13/18/605321318.db2.gz UNRNRNFGZQOVDD-SECBINFHSA-N -1 0 312.326 -0.613 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@H]2c2ncc[nH]2)C(=O)C1 ZINC000834113948 605321454 /nfs/dbraw/zinc/32/14/54/605321454.db2.gz ZWKDLSSARUDSMJ-JTQLQIEISA-N -1 0 321.337 -0.105 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)OCC(=O)N1CCNC1=O ZINC000834136599 605324648 /nfs/dbraw/zinc/32/46/48/605324648.db2.gz DNEHZMZOHJDYLQ-RXMQYKEDSA-N -1 0 309.225 -0.627 20 0 DBADRM CS(=O)(=O)NCCOC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000829686459 605325641 /nfs/dbraw/zinc/32/56/41/605325641.db2.gz BTXGZNKBXBPSSY-SECBINFHSA-N -1 0 324.355 -0.762 20 0 DBADRM C[C@H](Cc1noc(Cn2ccc(=O)[nH]c2=O)n1)N(C)C(=O)[O-] ZINC000825048620 605328448 /nfs/dbraw/zinc/32/84/48/605328448.db2.gz UDBPFTLUVVGEMF-SSDOTTSWSA-N -1 0 309.282 -0.079 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)NCCCN1CCNC(=O)C1 ZINC000834129700 605328570 /nfs/dbraw/zinc/32/85/70/605328570.db2.gz KWPDRSGJTTZSLD-QMMMGPOBSA-N -1 0 322.312 -0.784 20 0 DBADRM CCCCCN(CCO)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000833854297 605330335 /nfs/dbraw/zinc/33/03/35/605330335.db2.gz XXSPZJWGEDFMIH-UHFFFAOYSA-N -1 0 315.370 -0.180 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCOc1ccccc1F ZINC000834196937 605334566 /nfs/dbraw/zinc/33/45/66/605334566.db2.gz RYPOFBBBJIDAFC-UHFFFAOYSA-N -1 0 313.285 -0.296 20 0 DBADRM O=C(CCOC1CN(C(=O)[O-])C1)Nc1nn2cnnc2s1 ZINC000833993841 605334600 /nfs/dbraw/zinc/33/46/00/605334600.db2.gz JAQFZIBEQGEUJB-UHFFFAOYSA-N -1 0 312.311 -0.107 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cnn(-c2ccccc2)n1 ZINC000834199098 605335751 /nfs/dbraw/zinc/33/57/51/605335751.db2.gz RGFKZEBIUYLPBC-UHFFFAOYSA-N -1 0 318.293 -0.410 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccc2c(c1)CCO2 ZINC000834196115 605342421 /nfs/dbraw/zinc/34/24/21/605342421.db2.gz JISZFEYVUPEDHS-UHFFFAOYSA-N -1 0 307.306 -0.379 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@H]1COc2ccccc2C1 ZINC000834196659 605345255 /nfs/dbraw/zinc/34/52/55/605345255.db2.gz PMSCUWIDZMXEDU-JTQLQIEISA-N -1 0 321.333 -0.262 20 0 DBADRM O=C([O-])N1CCN(C(=O)CN2C(=O)[C@@H]3CCCN3C2=O)CC1 ZINC000834117337 605346037 /nfs/dbraw/zinc/34/60/37/605346037.db2.gz XELQUCCWYUOAKI-VIFPVBQESA-N -1 0 310.310 -0.765 20 0 DBADRM Cn1nccc1C1CCN(C(=O)CNC(=O)CNC(=O)[O-])CC1 ZINC000833963873 605348022 /nfs/dbraw/zinc/34/80/22/605348022.db2.gz UDBWKNZDNGRZLX-UHFFFAOYSA-N -1 0 323.353 -0.490 20 0 DBADRM Cn1cc([C@H]2CCN(C(=O)CNC(=O)CNC(=O)[O-])C2)cn1 ZINC000833945823 605348029 /nfs/dbraw/zinc/34/80/29/605348029.db2.gz BLXRZIDGZKJASM-VIFPVBQESA-N -1 0 309.326 -0.880 20 0 DBADRM Cc1nccn1[C@H]1CCCN(C(=O)CNC(=O)CNC(=O)[O-])C1 ZINC000833917772 605348061 /nfs/dbraw/zinc/34/80/61/605348061.db2.gz HYUDJHJBGIWIJA-NSHDSACASA-N -1 0 323.353 -0.261 20 0 DBADRM CCN(CC)C(=O)CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O ZINC000827025632 605348848 /nfs/dbraw/zinc/34/88/48/605348848.db2.gz VABHASLVJQKYBV-ZDUSSCGKSA-N -1 0 312.326 -0.471 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831041132 605352410 /nfs/dbraw/zinc/35/24/10/605352410.db2.gz LCXIVENLDLDWRU-LLVKDONJSA-N -1 0 323.353 -0.553 20 0 DBADRM CN(C(=O)CO[C@H]1CCCN(C(=O)[O-])C1)[C@H]1CCN(C)C1=O ZINC000828465850 605352547 /nfs/dbraw/zinc/35/25/47/605352547.db2.gz IRRCFKNWNCPSIM-QWRGUYRKSA-N -1 0 313.354 -0.166 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000834196774 605352747 /nfs/dbraw/zinc/35/27/47/605352747.db2.gz NEQMUSFAGJCLLW-SNVBAGLBSA-N -1 0 321.337 -0.840 20 0 DBADRM O=C([O-])N1CC[C@H](CNC(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000834029015 605358709 /nfs/dbraw/zinc/35/87/09/605358709.db2.gz QTLITOYVQDRRGD-NXEZZACHSA-N -1 0 319.383 -0.280 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCOc1cccc(F)c1 ZINC000834196995 605364631 /nfs/dbraw/zinc/36/46/31/605364631.db2.gz VXSOQLCEDLOYOI-UHFFFAOYSA-N -1 0 313.285 -0.296 20 0 DBADRM COC(=O)CCN1CCN(C(=O)CN(C)C(=O)[O-])C[C@@H]1C ZINC000833879517 605368641 /nfs/dbraw/zinc/36/86/41/605368641.db2.gz OYWUJSCGHVWVCN-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCc3n[nH]nc3C2)C1 ZINC000831998946 605369649 /nfs/dbraw/zinc/36/96/49/605369649.db2.gz XNICFHXABILDID-SECBINFHSA-N -1 0 309.326 -0.152 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1n[nH]c(-c2ccccn2)n1 ZINC000834199509 605373231 /nfs/dbraw/zinc/37/32/31/605373231.db2.gz YZBGEELZMDGPNO-UHFFFAOYSA-N -1 0 319.281 -0.811 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@@H](C)NC(=O)[O-])C[C@@H]1C ZINC000833878157 605375394 /nfs/dbraw/zinc/37/53/94/605375394.db2.gz DXPBPULCWOFWAE-VHSXEESVSA-N -1 0 301.343 -0.262 20 0 DBADRM CN(C)c1ccccc1CNC(=O)CNC(=O)CNC(=O)[O-] ZINC000833871748 605375516 /nfs/dbraw/zinc/37/55/16/605375516.db2.gz ZCTACTAZCCRTAZ-UHFFFAOYSA-N -1 0 308.338 -0.247 20 0 DBADRM CC(C)COC[C@@H](O)CNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000824276965 605378162 /nfs/dbraw/zinc/37/81/62/605378162.db2.gz QZZJKYJSSZKQRL-WDEREUQCSA-N -1 0 304.343 -0.485 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000834198319 605378257 /nfs/dbraw/zinc/37/82/57/605378257.db2.gz HOXZGDGOAXMCIE-UHFFFAOYSA-N -1 0 319.281 -0.811 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000834193455 605380225 /nfs/dbraw/zinc/38/02/25/605380225.db2.gz GGQNSISUTAEANE-SNVBAGLBSA-N -1 0 309.326 -0.570 20 0 DBADRM NC(=O)[C@@H](OC(=O)CNC(=O)CNC(=O)[O-])c1ccccc1 ZINC000833979117 605383779 /nfs/dbraw/zinc/38/37/79/605383779.db2.gz CYQAWDFYSSQYBI-NSHDSACASA-N -1 0 309.278 -0.860 20 0 DBADRM CN1CCC[C@@H](NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C1=O ZINC000828481197 605384327 /nfs/dbraw/zinc/38/43/27/605384327.db2.gz MVEZURGWDBJFNO-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOc2cc(F)ccc21 ZINC000834194642 605386244 /nfs/dbraw/zinc/38/62/44/605386244.db2.gz NCCIVEOKNHAAOQ-UHFFFAOYSA-N -1 0 311.269 -0.065 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@H](O)c1ccsc1 ZINC000834196137 605388743 /nfs/dbraw/zinc/38/87/43/605388743.db2.gz GIRZZYCCFRKNLC-QMMMGPOBSA-N -1 0 301.324 -0.719 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H](CCO)c1ccccc1 ZINC000834196193 605391291 /nfs/dbraw/zinc/39/12/91/605391291.db2.gz HZLVBHVOLFLFIC-LLVKDONJSA-N -1 0 309.322 -0.390 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H](CCO)c1ccccc1 ZINC000834196194 605391482 /nfs/dbraw/zinc/39/14/82/605391482.db2.gz HZLVBHVOLFLFIC-NSHDSACASA-N -1 0 309.322 -0.390 20 0 DBADRM Cn1cc(NC(=O)CNC(=O)CNC(=O)[O-])c(C(F)(F)F)n1 ZINC000833951796 605391765 /nfs/dbraw/zinc/39/17/65/605391765.db2.gz ZAQIHMVBTURVLA-UHFFFAOYSA-N -1 0 323.231 -0.239 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000834195958 605392685 /nfs/dbraw/zinc/39/26/85/605392685.db2.gz GMAMQMBJRGZIMI-MNOVXSKESA-N -1 0 315.370 -0.182 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(OCCO)cc1 ZINC000834198570 605393377 /nfs/dbraw/zinc/39/33/77/605393377.db2.gz KVSSMBMHRORGIJ-UHFFFAOYSA-N -1 0 311.294 -0.620 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000831284245 605393379 /nfs/dbraw/zinc/39/33/79/605393379.db2.gz UIKFTVBWZFGZMT-RYUDHWBXSA-N -1 0 313.354 -0.702 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000833983797 605397943 /nfs/dbraw/zinc/39/79/43/605397943.db2.gz KDWLDJONXVXPSJ-SECBINFHSA-N -1 0 318.293 -0.283 20 0 DBADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCCn1ncnn1 ZINC000829611583 605398962 /nfs/dbraw/zinc/39/89/62/605398962.db2.gz PPIVWXHETXQGCN-NSHDSACASA-N -1 0 320.309 -0.193 20 0 DBADRM CS(=O)(=O)NCCC(=O)OCC1CCN(C(=O)[O-])CC1 ZINC000829688520 605402737 /nfs/dbraw/zinc/40/27/37/605402737.db2.gz SJETYONVYZSRRQ-UHFFFAOYSA-N -1 0 308.356 -0.141 20 0 DBADRM CS(=O)(=O)NCCC(=O)OC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000829688270 605404608 /nfs/dbraw/zinc/40/46/08/605404608.db2.gz QXWTXQYRISAQRK-SECBINFHSA-N -1 0 308.356 -0.141 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000827084494 605406390 /nfs/dbraw/zinc/40/63/90/605406390.db2.gz ZDNAPRNHBVSHKU-MNOVXSKESA-N -1 0 303.359 -0.912 20 0 DBADRM CC[C@@](C)(CNC(=O)[O-])C(=O)NC[C@H](O)CN1CCOCC1 ZINC000833840674 605406472 /nfs/dbraw/zinc/40/64/72/605406472.db2.gz MTBPRRRKNRNZNV-FZMZJTMJSA-N -1 0 317.386 -0.520 20 0 DBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NCC(F)(F)F ZINC000833896098 605408161 /nfs/dbraw/zinc/40/81/61/605408161.db2.gz ZTEVAWZRUAFVPW-RXMQYKEDSA-N -1 0 306.262 -0.264 20 0 DBADRM C[C@H]1OCC[C@@]1(C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000235626363 605411381 /nfs/dbraw/zinc/41/13/81/605411381.db2.gz ZSGBPWSRSBFYHN-LDYMZIIASA-N -1 0 303.340 -0.187 20 0 DBADRM CC(C)c1noc(COC(=O)[C@@H](CC(N)=O)NC(=O)[O-])n1 ZINC000833798726 605415964 /nfs/dbraw/zinc/41/59/64/605415964.db2.gz JWEOJDLSFMRKNY-ZCFIWIBFSA-N -1 0 300.271 -0.252 20 0 DBADRM CNC(=O)c1cccc(COC(=O)[C@@H](CC(N)=O)NC(=O)[O-])c1 ZINC000833877890 605416117 /nfs/dbraw/zinc/41/61/17/605416117.db2.gz URNLSGIJZNCTAF-SNVBAGLBSA-N -1 0 323.305 -0.399 20 0 DBADRM CC(C)c1noc(COC(=O)[C@H](CC(N)=O)NC(=O)[O-])n1 ZINC000833798725 605416181 /nfs/dbraw/zinc/41/61/81/605416181.db2.gz JWEOJDLSFMRKNY-LURJTMIESA-N -1 0 300.271 -0.252 20 0 DBADRM CC(C)(CN1C(=O)N[C@@H](CC(=O)[O-])C1=O)CS(C)(=O)=O ZINC000833458276 605418614 /nfs/dbraw/zinc/41/86/14/605418614.db2.gz QQWTXTVGZGLGMR-ZETCQYMHSA-N -1 0 306.340 -0.548 20 0 DBADRM COCCC(=O)N1CCC(NC(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000828929320 605430165 /nfs/dbraw/zinc/43/01/65/605430165.db2.gz JBXIWNSQBWGVGA-UHFFFAOYSA-N -1 0 313.354 -0.070 20 0 DBADRM C=CC(=O)NCCNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000823485866 605430530 /nfs/dbraw/zinc/43/05/30/605430530.db2.gz KLOISEHBGQNQBW-VIFPVBQESA-N -1 0 301.368 -0.110 20 0 DBADRM Cc1nonc1COC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-] ZINC000833933305 605431761 /nfs/dbraw/zinc/43/17/61/605431761.db2.gz GCBRUPVAQITDSA-ZETCQYMHSA-N -1 0 321.311 -0.508 20 0 DBADRM COC(=O)N1CC(NC(=O)[C@H](CCSC)NC(=O)[O-])C1 ZINC000828705688 605432890 /nfs/dbraw/zinc/43/28/90/605432890.db2.gz YJEGIMXYCHGGJI-QMMMGPOBSA-N -1 0 305.356 -0.058 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@H]1O ZINC000833893505 605432997 /nfs/dbraw/zinc/43/29/97/605432997.db2.gz BLXWSMHSQRMGMQ-LPEHRKFASA-N -1 0 322.383 -0.666 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nn1cc(Br)cn1 ZINC000834058832 605434494 /nfs/dbraw/zinc/43/44/94/605434494.db2.gz ORBQMPWTBRDIFY-BQBZGAKWSA-N -1 0 319.115 -0.171 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCC(C(=O)NCCO)CC1 ZINC000824831967 605435262 /nfs/dbraw/zinc/43/52/62/605435262.db2.gz HVRUOULVNVOIPI-JTQLQIEISA-N -1 0 315.370 -0.421 20 0 DBADRM CCN(CC(=O)N1CCC(C(=O)NCCO)CC1)C(=O)[O-] ZINC000826997170 605435474 /nfs/dbraw/zinc/43/54/74/605435474.db2.gz WHSGPNNEHGSMRI-UHFFFAOYSA-N -1 0 301.343 -0.667 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)OC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000834285830 605435744 /nfs/dbraw/zinc/43/57/44/605435744.db2.gz SDKYEIYJCOQRIY-DTWKUNHWSA-N -1 0 307.324 -0.657 20 0 DBADRM Cc1cc(C[C@@H](C)NC(=O)CN2CCN(C(=O)[O-])CC2=O)[nH]n1 ZINC000830030691 605436102 /nfs/dbraw/zinc/43/61/02/605436102.db2.gz PVQGDRSTCMXKSW-SECBINFHSA-N -1 0 323.353 -0.412 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCC[C@@H](OCCO)C2)C1 ZINC000832060262 605441398 /nfs/dbraw/zinc/44/13/98/605441398.db2.gz IDMNMGQVPUQNBD-VXGBXAGGSA-N -1 0 316.354 -0.245 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000833895163 605441726 /nfs/dbraw/zinc/44/17/26/605441726.db2.gz QIDSRVSIQQZOHC-UTLUCORTSA-N -1 0 322.383 -0.523 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCOC3(CCOCC3)C2)C1 ZINC000831857820 605444431 /nfs/dbraw/zinc/44/44/31/605444431.db2.gz FEVSOQYWABQTGU-UHFFFAOYSA-N -1 0 314.338 -0.227 20 0 DBADRM CC(C)(CC(=O)N(CCO)CCN1CCOCC1)NC(=O)[O-] ZINC000823877435 605447400 /nfs/dbraw/zinc/44/74/00/605447400.db2.gz YTLBJVCSMOKZLZ-UHFFFAOYSA-N -1 0 317.386 -0.424 20 0 DBADRM O=C([O-])N1CC[C@@H](C(=O)N(CCO)CCN2CCOCC2)C1 ZINC000831863731 605448656 /nfs/dbraw/zinc/44/86/56/605448656.db2.gz NIBFKXIYZONEFS-GFCCVEGCSA-N -1 0 315.370 -0.861 20 0 DBADRM CC(C)(C)n1cnc(NC(=O)C(=O)N2CCN(C(=O)[O-])CC2)n1 ZINC000833452323 605452115 /nfs/dbraw/zinc/45/21/15/605452115.db2.gz WSNSBKKCQPECRH-UHFFFAOYSA-N -1 0 324.341 -0.206 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)N1CCCS(=O)(=O)CC1)C1CC1 ZINC000834205156 605457667 /nfs/dbraw/zinc/45/76/67/605457667.db2.gz KNYXKDDVJZMUOR-SNVBAGLBSA-N -1 0 319.383 -0.137 20 0 DBADRM C[C@H]1CN(c2ccc(C(=O)NCCO)nn2)C[C@H](C)N1C(=O)[O-] ZINC000826082580 605458320 /nfs/dbraw/zinc/45/83/20/605458320.db2.gz RJBAOTQEVMFQGU-UWVGGRQHSA-N -1 0 323.353 -0.224 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)N2CCCS(=O)(=O)CC2)C1 ZINC000834098076 605459720 /nfs/dbraw/zinc/45/97/20/605459720.db2.gz HGUHIAZQYUEROZ-JTQLQIEISA-N -1 0 319.383 -0.041 20 0 DBADRM CN(C[C@@H]1CCCN1c1ccc(C(=O)NCCO)nn1)C(=O)[O-] ZINC000828235063 605460422 /nfs/dbraw/zinc/46/04/22/605460422.db2.gz CMFNIKALLFQLIJ-JTQLQIEISA-N -1 0 323.353 -0.223 20 0 DBADRM Cc1nnc(CNC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)o1 ZINC000833923248 605482551 /nfs/dbraw/zinc/48/25/51/605482551.db2.gz FRZJKTSANRRSRX-JTQLQIEISA-N -1 0 313.314 -0.597 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1c1ccc(C(=O)NCCO)nn1 ZINC000825846407 605486108 /nfs/dbraw/zinc/48/61/08/605486108.db2.gz UOTUOERHJWXNFQ-NXEZZACHSA-N -1 0 323.353 -0.176 20 0 DBADRM COC[C@@H]1CCN(C(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)C1 ZINC000833882917 605497458 /nfs/dbraw/zinc/49/74/58/605497458.db2.gz YJJRHIBTEOCCPR-PWSUYJOCSA-N -1 0 315.370 -0.110 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CCN(C(=O)NCCS(C)(=O)=O)C1 ZINC000833815964 605507761 /nfs/dbraw/zinc/50/77/61/605507761.db2.gz JFRTTYJIJVBYQS-BDAKNGLRSA-N -1 0 307.372 -0.281 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)OCC(=O)N1CCC1 ZINC000833797936 605512372 /nfs/dbraw/zinc/51/23/72/605512372.db2.gz PQIAWRCBPOOTBS-NSHDSACASA-N -1 0 315.326 -0.830 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)O[C@@H]1CCCNC1=O ZINC000833797847 605512619 /nfs/dbraw/zinc/51/26/19/605512619.db2.gz GPZHCLAUMYTVHY-SCZZXKLOSA-N -1 0 315.326 -0.783 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)OCC1(C)COC1 ZINC000833797943 605514742 /nfs/dbraw/zinc/51/47/42/605514742.db2.gz QUNWHFGTYUSYPH-JTQLQIEISA-N -1 0 302.327 -0.026 20 0 DBADRM Cn1cccc1C(=O)N1CCN(C(=O)C2CN(C(=O)[O-])C2)CC1 ZINC000833951812 605515675 /nfs/dbraw/zinc/51/56/75/605515675.db2.gz BFSOIYDWTFFXGU-UHFFFAOYSA-N -1 0 320.349 -0.081 20 0 DBADRM C[C@H](NC(=O)N(C)CCN(C)C(=O)[O-])[C@H]1CN(C)CCO1 ZINC000833813562 605524067 /nfs/dbraw/zinc/52/40/67/605524067.db2.gz RFAJGFIBNQECPD-WDEREUQCSA-N -1 0 302.375 -0.043 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N[C@@H]2CCCC[C@H]2CO)C(=O)C1 ZINC000834004826 605524805 /nfs/dbraw/zinc/52/48/05/605524805.db2.gz IEBANIJPRBWMCG-WDEREUQCSA-N -1 0 313.354 -0.524 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N[C@H](CO)C2CC2)CC1 ZINC000834041680 605528773 /nfs/dbraw/zinc/52/87/73/605528773.db2.gz NTTLEUOQDAFLFP-LLVKDONJSA-N -1 0 300.359 -0.648 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCC(CCO)CC2)C(=O)C1 ZINC000834112813 605535196 /nfs/dbraw/zinc/53/51/96/605535196.db2.gz GBUHYSOGTHIJMW-UHFFFAOYSA-N -1 0 313.354 -0.570 20 0 DBADRM Cn1cnn(CC(=O)Nc2cccc(CNC(=O)[O-])c2)c1=O ZINC000833957463 605539821 /nfs/dbraw/zinc/53/98/21/605539821.db2.gz VGPYLUDVTYTISH-UHFFFAOYSA-N -1 0 305.294 -0.012 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCSC[C@@H]2CCO)C1 ZINC000834117665 605544003 /nfs/dbraw/zinc/54/40/03/605544003.db2.gz SONWOYMFOQHAGW-UWVGGRQHSA-N -1 0 304.368 -0.308 20 0 DBADRM Cn1cnn(CC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])c1=O ZINC000833956655 605544136 /nfs/dbraw/zinc/54/41/36/605544136.db2.gz MQJMSYLFEKSBCK-NXEZZACHSA-N -1 0 311.342 -0.476 20 0 DBADRM Cn1cnn(CC(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])c1=O ZINC000833956661 605544242 /nfs/dbraw/zinc/54/42/42/605544242.db2.gz MQJMSYLFEKSBCK-UWVGGRQHSA-N -1 0 311.342 -0.476 20 0 DBADRM Cn1cnn(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1=O ZINC000833956096 605546045 /nfs/dbraw/zinc/54/60/45/605546045.db2.gz IKJLTTRXYPQCAV-ZJUUUORDSA-N -1 0 309.326 -0.675 20 0 DBADRM COCCN(CC(=O)N[C@@]1(C(=O)OC)CCSC1)C(=O)[O-] ZINC000833884587 605549274 /nfs/dbraw/zinc/54/92/74/605549274.db2.gz PIKBPZUJACHLME-LBPRGKRZSA-N -1 0 320.367 -0.222 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCOC[C@H]2c2ncon2)C1 ZINC000834070016 605551065 /nfs/dbraw/zinc/55/10/65/605551065.db2.gz KUGQCVCUSCEPOR-VIFPVBQESA-N -1 0 312.282 -0.652 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCOC[C@@H]2c2ncon2)C1 ZINC000834118015 605552181 /nfs/dbraw/zinc/55/21/81/605552181.db2.gz VURFWAVMOHQBTA-BDAKNGLRSA-N -1 0 312.282 -0.652 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000833863447 605554777 /nfs/dbraw/zinc/55/47/77/605554777.db2.gz LZDKKMCMWNKHMH-VIFPVBQESA-N -1 0 308.356 -0.742 20 0 DBADRM CC(C)C(=O)NCCNC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000824044396 605581156 /nfs/dbraw/zinc/58/11/56/605581156.db2.gz TZOIHUAROGJKRX-UHFFFAOYSA-N -1 0 314.386 -0.393 20 0 DBADRM NC(=O)[C@@H]1CCCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000831178651 605583166 /nfs/dbraw/zinc/58/31/66/605583166.db2.gz KOKCQYXVSKAQRK-MNOVXSKESA-N -1 0 313.354 -0.131 20 0 DBADRM O=C([O-])N1CC[C@H](N2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000834086008 605591204 /nfs/dbraw/zinc/59/12/04/605591204.db2.gz UJYVABMOUFGXAA-NSHDSACASA-N -1 0 317.353 -0.001 20 0 DBADRM CN(CC(C)(CO)CO)S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833692709 605608192 /nfs/dbraw/zinc/60/81/92/605608192.db2.gz WAGYCKSYDRVHCP-UHFFFAOYSA-N -1 0 324.380 -0.547 20 0 DBADRM C[C@@H](O)[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000167693220 605612844 /nfs/dbraw/zinc/61/28/44/605612844.db2.gz FFDUYPFBUBBPFZ-KOLCDFICSA-N -1 0 306.384 -0.270 20 0 DBADRM CC(C)NC(=O)CCNC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000824368998 605615401 /nfs/dbraw/zinc/61/54/01/605615401.db2.gz QFHDIWLNACCGDJ-UHFFFAOYSA-N -1 0 314.386 -0.251 20 0 DBADRM O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)NCC(=O)NCCO ZINC000834187738 605622365 /nfs/dbraw/zinc/62/23/65/605622365.db2.gz YYHSHXYPWZHPBZ-QWRGUYRKSA-N -1 0 315.370 -0.182 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000739388043 605623349 /nfs/dbraw/zinc/62/33/49/605623349.db2.gz PYMYQNYNTTXEAG-IUCAKERBSA-N -1 0 305.356 -0.385 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](CO)Cc1ccco1 ZINC000831616275 605624135 /nfs/dbraw/zinc/62/41/35/605624135.db2.gz RRMDDDFURAJNFB-CKYFFXLPSA-N -1 0 312.322 -0.340 20 0 DBADRM O=C([O-])N[C@H](CC(=O)NCC(=O)NCCO)c1ccccc1 ZINC000834125491 605624295 /nfs/dbraw/zinc/62/42/95/605624295.db2.gz QCBWXGFXZXUQNP-LLVKDONJSA-N -1 0 309.322 -0.390 20 0 DBADRM O=C([O-])N1CC(C(=O)N2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000834066853 605628019 /nfs/dbraw/zinc/62/80/19/605628019.db2.gz SCGITWYACYJDRS-UHFFFAOYSA-N -1 0 318.333 -0.024 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CCN(C(=O)[O-])C[C@@H]2C)C1=O ZINC000739809726 605628355 /nfs/dbraw/zinc/62/83/55/605628355.db2.gz GKAUEDOUAXHRFH-ZANVPECISA-N -1 0 314.342 -0.415 20 0 DBADRM O=C([O-])N[C@@H](CC(=O)NN1CC(=O)NC1=O)c1ccccc1 ZINC000834126315 605628706 /nfs/dbraw/zinc/62/87/06/605628706.db2.gz KHKYKPKDJAAJDT-VIFPVBQESA-N -1 0 306.278 -0.032 20 0 DBADRM Cn1nccc1NC(=O)C(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000833962660 605633408 /nfs/dbraw/zinc/63/34/08/605633408.db2.gz BPLNXXZPIUMBQE-UHFFFAOYSA-N -1 0 309.326 -0.135 20 0 DBADRM Cn1cccc(NC(=O)C(=O)NC[C@@H]2CCN(C(=O)[O-])C2)c1=O ZINC000833953240 605634224 /nfs/dbraw/zinc/63/42/24/605634224.db2.gz UEXVHNVXLYGQSW-VIFPVBQESA-N -1 0 322.321 -0.560 20 0 DBADRM Cn1nccc1NC(=O)C(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000833964208 605637198 /nfs/dbraw/zinc/63/71/98/605637198.db2.gz WDMPCVRPFDABQY-SECBINFHSA-N -1 0 309.326 -0.135 20 0 DBADRM CC(C)(CNC(=O)CN1CCC(NC(=O)[O-])CC1)C(N)=O ZINC000823912882 605644164 /nfs/dbraw/zinc/64/41/64/605644164.db2.gz VSWLKWLNMABVPF-UHFFFAOYSA-N -1 0 300.359 -0.654 20 0 DBADRM O=C([O-])N1CC(C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000834042578 605644748 /nfs/dbraw/zinc/64/47/48/605644748.db2.gz ZQDUNNWUINXBQT-UHFFFAOYSA-N -1 0 323.353 -0.503 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])C1 ZINC000831178889 605644971 /nfs/dbraw/zinc/64/49/71/605644971.db2.gz NDKIFEKMVOCSAS-RKDXNWHRSA-N -1 0 301.368 -0.194 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CNC(=O)[O-])[C@H](C(=O)OC)C1 ZINC000833711016 605648179 /nfs/dbraw/zinc/64/81/79/605648179.db2.gz RLLCROGDBQDLQO-SFYZADRCSA-N -1 0 302.283 -0.793 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NC[C@@H]2CN3CCN2CC3)C1 ZINC000834085612 605651211 /nfs/dbraw/zinc/65/12/11/605651211.db2.gz SEQPSUCEMBFBBX-ZWNOBZJWSA-N -1 0 300.334 -0.806 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN(C)C(=O)OC ZINC000833708266 605651687 /nfs/dbraw/zinc/65/16/87/605651687.db2.gz PRCNLJBAKMLUQX-BDAKNGLRSA-N -1 0 316.310 -0.451 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN(C)C(C)=O ZINC000833703848 605652429 /nfs/dbraw/zinc/65/24/29/605652429.db2.gz CMUNXPBZMKKYRX-ZJUUUORDSA-N -1 0 300.311 -0.671 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC000833664787 605655477 /nfs/dbraw/zinc/65/54/77/605655477.db2.gz AGLSLBLXAYPLTJ-IUCAKERBSA-N -1 0 321.351 -0.714 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC000833664788 605655660 /nfs/dbraw/zinc/65/56/60/605655660.db2.gz AGLSLBLXAYPLTJ-RKDXNWHRSA-N -1 0 321.351 -0.714 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC000833664931 605656412 /nfs/dbraw/zinc/65/64/12/605656412.db2.gz HLEHPVGFYPFQIV-IUCAKERBSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@H](C(=O)[O-])C1 ZINC000833708878 605656934 /nfs/dbraw/zinc/65/69/34/605656934.db2.gz KHCUQBMIWYHZBB-ZJUUUORDSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1CC[C@H](NC(=O)C[C@@H]2CSCCN2C(=O)[O-])C1=O ZINC000828466119 605658753 /nfs/dbraw/zinc/65/87/53/605658753.db2.gz LDEIXSXMNSBZBX-BDAKNGLRSA-N -1 0 301.368 -0.181 20 0 DBADRM O=C([O-])N(CC(=O)NCC1(CO)COC1)C[C@H]1CCCO1 ZINC000834007184 605662835 /nfs/dbraw/zinc/66/28/35/605662835.db2.gz SDQZFMORSOONIW-SNVBAGLBSA-N -1 0 302.327 -0.730 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NC[C@@H](O)c2ccccn2)C(=O)C1 ZINC000834006598 605664395 /nfs/dbraw/zinc/66/43/95/605664395.db2.gz WYQFREUKSUOAHY-LLVKDONJSA-N -1 0 322.321 -0.947 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N[C@H]2CC[C@H](CO)CC2)C(=O)C1 ZINC000834004848 605664690 /nfs/dbraw/zinc/66/46/90/605664690.db2.gz JAUSZPAPFNMOMS-XYPYZODXSA-N -1 0 313.354 -0.524 20 0 DBADRM CCN(CC)C(=O)CNC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000827029310 605668137 /nfs/dbraw/zinc/66/81/37/605668137.db2.gz IJQUQMGANQVGDA-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000833985067 605670087 /nfs/dbraw/zinc/67/00/87/605670087.db2.gz VOSMXFBXTKHXKZ-MRVPVSSYSA-N -1 0 319.281 -0.888 20 0 DBADRM CCS(=O)(=O)NCCN1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC000833666227 605680094 /nfs/dbraw/zinc/68/00/94/605680094.db2.gz YBQXBIMXZOZVFF-NXEZZACHSA-N -1 0 322.383 -0.736 20 0 DBADRM COC(=O)[C@@H]1CCN(CC(=O)Nc2ccncc2)[C@H](C(=O)[O-])C1 ZINC000833705635 605684576 /nfs/dbraw/zinc/68/45/76/605684576.db2.gz DZYONXLHFOTJQI-PWSUYJOCSA-N -1 0 321.333 -0.220 20 0 DBADRM CN(CCNC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000833872432 605690251 /nfs/dbraw/zinc/69/02/51/605690251.db2.gz KPDDMJUBHBKQJW-UHFFFAOYSA-N -1 0 302.312 -0.931 20 0 DBADRM CC[C@@](C)(CNC(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000833840654 605690649 /nfs/dbraw/zinc/69/06/49/605690649.db2.gz MLVHNWVTXUQSDQ-LBPRGKRZSA-N -1 0 321.399 -0.178 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000739268582 605696008 /nfs/dbraw/zinc/69/60/08/605696008.db2.gz MJZHKQOHVQYZEH-VIFPVBQESA-N -1 0 310.310 -0.815 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000739233095 605698166 /nfs/dbraw/zinc/69/81/66/605698166.db2.gz MKVRPYSECXRHOU-VIFPVBQESA-N -1 0 312.326 -0.423 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000739243600 605700074 /nfs/dbraw/zinc/70/00/74/605700074.db2.gz HFLFVDFICVKOMR-JTQLQIEISA-N -1 0 319.383 -0.329 20 0 DBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NCCN1C(=O)CNC1=O ZINC000833840040 605700650 /nfs/dbraw/zinc/70/06/50/605700650.db2.gz IOKQQKQOFGPPMV-GFCCVEGCSA-N -1 0 300.315 -0.662 20 0 DBADRM O=C([O-])N1CCOC[C@H]1c1noc(Cn2ccc(=O)[nH]c2=O)n1 ZINC000834118941 605702150 /nfs/dbraw/zinc/70/21/50/605702150.db2.gz MSHWZLXDMKQNJJ-ZETCQYMHSA-N -1 0 323.265 -0.569 20 0 DBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000833838256 605706774 /nfs/dbraw/zinc/70/67/74/605706774.db2.gz CCRPROIZFBCZND-VYUIOLGVSA-N -1 0 301.343 -0.181 20 0 DBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000833838254 605706870 /nfs/dbraw/zinc/70/68/70/605706870.db2.gz CCRPROIZFBCZND-MWODSPESSA-N -1 0 301.343 -0.181 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC000834185500 605707710 /nfs/dbraw/zinc/70/77/10/605707710.db2.gz ZKXLZZPQZJHZBK-MRVPVSSYSA-N -1 0 306.278 -0.105 20 0 DBADRM O=C([O-])NCCNC(=O)N1CCC(N2CCCNC2=O)CC1 ZINC000834241444 605710989 /nfs/dbraw/zinc/71/09/89/605710989.db2.gz RUJKERBLMPPOHO-UHFFFAOYSA-N -1 0 313.358 -0.157 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)C1CCOCC1 ZINC000834005448 605717340 /nfs/dbraw/zinc/71/73/40/605717340.db2.gz FYSIKDUKGOTPRN-NXEZZACHSA-N -1 0 301.295 -0.362 20 0 DBADRM NC(=O)N1CC[C@H](NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000831199375 605718776 /nfs/dbraw/zinc/71/87/76/605718776.db2.gz AOTWAUJQPICBTJ-VHSXEESVSA-N -1 0 314.342 -0.585 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000828656767 605719385 /nfs/dbraw/zinc/71/93/85/605719385.db2.gz YPJRFNHBLUCKCU-UWVGGRQHSA-N -1 0 300.311 -0.081 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000739186537 605720595 /nfs/dbraw/zinc/72/05/95/605720595.db2.gz BXBMKQWLNWLSPU-ZJUUUORDSA-N -1 0 319.383 -0.043 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N[C@@H](CO)CC(F)(F)F)C1 ZINC000834015545 605723676 /nfs/dbraw/zinc/72/36/76/605723676.db2.gz QZAGJNKFRREXCW-RNFRBKRXSA-N -1 0 300.233 -0.205 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000829017636 605729901 /nfs/dbraw/zinc/72/99/01/605729901.db2.gz CBHOLSFFBMKUMD-VHSXEESVSA-N -1 0 322.383 -0.305 20 0 DBADRM Cn1cc(C(=O)OC2CCN(C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000738404883 605732760 /nfs/dbraw/zinc/73/27/60/605732760.db2.gz IMWHSLULTQJMQC-UHFFFAOYSA-N -1 0 311.294 -0.617 20 0 DBADRM Cc1nncn1CCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000830894850 605733960 /nfs/dbraw/zinc/73/39/60/605733960.db2.gz XVWWRBMRACAYGN-NSHDSACASA-N -1 0 311.342 -0.138 20 0 DBADRM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCC1CN(C(=O)[O-])C1 ZINC000834008443 605745524 /nfs/dbraw/zinc/74/55/24/605745524.db2.gz ZJQGCTWCGMJXFQ-QWRGUYRKSA-N -1 0 323.349 -0.112 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000834016563 605747545 /nfs/dbraw/zinc/74/75/45/605747545.db2.gz DGBPKUIDHIGBCX-JTNHKYCSSA-N -1 0 314.338 -0.181 20 0 DBADRM O=C([O-])N1CC(CNC(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000834012929 605747813 /nfs/dbraw/zinc/74/78/13/605747813.db2.gz MDQOUWWHZJBEAZ-UHFFFAOYSA-N -1 0 316.321 -0.069 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)NCC2CN(C(=O)[O-])C2)C1=O ZINC000833847289 605748683 /nfs/dbraw/zinc/74/86/83/605748683.db2.gz XBYWVACJQFTNPR-CYBMUJFWSA-N -1 0 312.326 -0.567 20 0 DBADRM COCCN(CCNC(=O)NCc1cncnc1N)C(=O)[O-] ZINC000833886429 605749795 /nfs/dbraw/zinc/74/97/95/605749795.db2.gz SUTGJDYNIVZSFP-UHFFFAOYSA-N -1 0 312.330 -0.516 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000833982669 605750278 /nfs/dbraw/zinc/75/02/78/605750278.db2.gz BUEMDFMBUIMPQW-MRVPVSSYSA-N -1 0 309.282 -0.373 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccc(NC(N)=O)cc1 ZINC000833984063 605751075 /nfs/dbraw/zinc/75/10/75/605751075.db2.gz ZYTYXILBXCOHJT-VIFPVBQESA-N -1 0 323.309 -0.695 20 0 DBADRM Cc1ccc([C@H](O)CNC(=O)[C@@H](CC(N)=O)NC(=O)[O-])cc1 ZINC000833905981 605751921 /nfs/dbraw/zinc/75/19/21/605751921.db2.gz ZWTFHIHDNDYGRP-GHMZBOCLSA-N -1 0 309.322 -0.344 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000833983618 605752418 /nfs/dbraw/zinc/75/24/18/605752418.db2.gz JLIDEBMQNMZSPJ-SSDOTTSWSA-N -1 0 308.250 -0.017 20 0 DBADRM CC[C@@]1(C(=O)NCCNS(=O)(=O)CC)CCCN1C(=O)[O-] ZINC000833844428 605756305 /nfs/dbraw/zinc/75/63/05/605756305.db2.gz UCXKPLGSRJBRHS-LBPRGKRZSA-N -1 0 321.399 -0.036 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1cn2c(n1)CCCC2 ZINC000833981859 605756993 /nfs/dbraw/zinc/75/69/93/605756993.db2.gz HYPYGCOUMPNBNK-VIFPVBQESA-N -1 0 309.326 -0.653 20 0 DBADRM Cn1cc([C@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])C2)cn1 ZINC000833946536 605758255 /nfs/dbraw/zinc/75/82/55/605758255.db2.gz HMEBIVCETXGFNG-WPRPVWTQSA-N -1 0 309.326 -0.752 20 0 DBADRM O=C(CNC(=O)NCc1ccco1)NCC1CN(C(=O)[O-])C1 ZINC000834005464 605759367 /nfs/dbraw/zinc/75/93/67/605759367.db2.gz PNIYRJUZDZYYHJ-UHFFFAOYSA-N -1 0 310.310 -0.195 20 0 DBADRM Cc1noc(C)c1C[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833926899 605760097 /nfs/dbraw/zinc/76/00/97/605760097.db2.gz ADWUPKWDQGTXMM-WKEGUHRASA-N -1 0 312.326 -0.150 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834041709 605760144 /nfs/dbraw/zinc/76/01/44/605760144.db2.gz OPLMUNAACGFGJA-SECBINFHSA-N -1 0 324.341 -0.419 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834041430 605764491 /nfs/dbraw/zinc/76/44/91/605764491.db2.gz LXSOFXMGFNPQHG-UHFFFAOYSA-N -1 0 310.314 -0.952 20 0 DBADRM CNC(=O)[C@H](C)CN(C)C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000828525900 605765731 /nfs/dbraw/zinc/76/57/31/605765731.db2.gz CCMYUEYMJZGUEL-SNVBAGLBSA-N -1 0 314.386 -0.441 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCn1cncn1 ZINC000833705817 605768022 /nfs/dbraw/zinc/76/80/22/605768022.db2.gz KIJFKBKZFOPXMQ-NXEZZACHSA-N -1 0 310.310 -0.467 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCn1cncn1 ZINC000833705821 605768292 /nfs/dbraw/zinc/76/82/92/605768292.db2.gz KIJFKBKZFOPXMQ-VHSXEESVSA-N -1 0 310.310 -0.467 20 0 DBADRM COCCN(CC(=O)N1CCN(C(C)C)C(=O)C1)C(=O)[O-] ZINC000833885029 605769813 /nfs/dbraw/zinc/76/98/13/605769813.db2.gz YWLJSMIPMGDNQL-UHFFFAOYSA-N -1 0 301.343 -0.308 20 0 DBADRM COC(=O)CCNC(=O)CN1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000833879206 605772176 /nfs/dbraw/zinc/77/21/76/605772176.db2.gz LSHYRJRWTICYMU-NXEZZACHSA-N -1 0 301.343 -0.214 20 0 DBADRM Cn1nnnc1CCNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000833961495 605786361 /nfs/dbraw/zinc/78/63/61/605786361.db2.gz UDVYHSRGTJBYKJ-MRVPVSSYSA-N -1 0 314.371 -0.646 20 0 DBADRM NC(=O)C1(NC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)CC1 ZINC000831172576 605786688 /nfs/dbraw/zinc/78/66/88/605786688.db2.gz IQVQDAVEPSELSD-UHFFFAOYSA-N -1 0 322.325 -0.659 20 0 DBADRM CN(CC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000828089882 605786702 /nfs/dbraw/zinc/78/67/02/605786702.db2.gz GJBYZNYUDYBMNZ-JTQLQIEISA-N -1 0 319.383 -0.379 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000824211418 605787217 /nfs/dbraw/zinc/78/72/17/605787217.db2.gz PTNIPIAKQZXLEZ-LPEHRKFASA-N -1 0 301.343 -0.182 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000833807692 605788402 /nfs/dbraw/zinc/78/84/02/605788402.db2.gz LTTKXTKDDAWGEQ-IUCAKERBSA-N -1 0 307.372 -0.376 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834144429 605792954 /nfs/dbraw/zinc/79/29/54/605792954.db2.gz MDMNZYLWJNSEOB-BDAKNGLRSA-N -1 0 305.356 -0.481 20 0 DBADRM Cn1nnnc1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833960424 605793247 /nfs/dbraw/zinc/79/32/47/605793247.db2.gz KQQJGZUHRMMSRL-PBINXNQUSA-N -1 0 323.357 -0.275 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@H](O)C1CCOCC1 ZINC000833806339 605797690 /nfs/dbraw/zinc/79/76/90/605797690.db2.gz DEHSQESCZJKSOI-ONGXEEELSA-N -1 0 303.359 -0.023 20 0 DBADRM O=C([O-])NCCNS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000834243912 605802786 /nfs/dbraw/zinc/80/27/86/605802786.db2.gz RKIOLPVTXOFQCL-UHFFFAOYSA-N -1 0 318.355 -0.220 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)NC[C@H](C)CNC(=O)[O-] ZINC000833934292 605807008 /nfs/dbraw/zinc/80/70/08/605807008.db2.gz FJWAWODGVAKHNB-LURJTMIESA-N -1 0 319.339 -0.131 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCOC2(CCOCC2)C1 ZINC000831274826 605811021 /nfs/dbraw/zinc/81/10/21/605811021.db2.gz YGIVIOJWLKADDA-MNOVXSKESA-N -1 0 314.338 -0.492 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@H](C)CNC(=O)[O-] ZINC000833880492 605814476 /nfs/dbraw/zinc/81/44/76/605814476.db2.gz YQMGZZBSJZTSHD-MRVPVSSYSA-N -1 0 311.360 -0.781 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000834023040 605818875 /nfs/dbraw/zinc/81/88/75/605818875.db2.gz UGSACBKAGOQNLN-MWLCHTKSSA-N -1 0 311.338 -0.508 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)N2CCN3C(=O)OCC[C@H]3C2)C1 ZINC000834085948 605819296 /nfs/dbraw/zinc/81/92/96/605819296.db2.gz UAWFHMFSRQLHPM-UWVGGRQHSA-N -1 0 312.326 -0.025 20 0 DBADRM CC1(C)NC(=O)N(CCOC(=O)c2cc(C(=O)[O-])no2)C1=O ZINC000833561992 605822847 /nfs/dbraw/zinc/82/28/47/605822847.db2.gz BPXBBRPEGHLTTP-UHFFFAOYSA-N -1 0 311.250 -0.140 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)N1CC[C@H](NC(=O)[O-])C1)CC2 ZINC000833929162 605824452 /nfs/dbraw/zinc/82/44/52/605824452.db2.gz XGJNXBHNTJWXRH-ZJUUUORDSA-N -1 0 308.342 -0.047 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCC(OCCO)CC2)C1 ZINC000834117282 605835832 /nfs/dbraw/zinc/83/58/32/605835832.db2.gz QODVEKUFASOXRZ-GFCCVEGCSA-N -1 0 316.354 -0.245 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC(OCCO)CC2)C1 ZINC000834070371 605835843 /nfs/dbraw/zinc/83/58/43/605835843.db2.gz WWANPFUOTLTKPB-UHFFFAOYSA-N -1 0 302.327 -0.635 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N2CCc3c[nH]nc3C2)CC1 ZINC000834113036 605841531 /nfs/dbraw/zinc/84/15/31/605841531.db2.gz ODYMJTGVQWWNBX-UHFFFAOYSA-N -1 0 322.369 -0.227 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)[C@H]2CCn3cncc3C2)CC1 ZINC000834040894 605841958 /nfs/dbraw/zinc/84/19/58/605841958.db2.gz FQPFKTINYWHNIO-LBPRGKRZSA-N -1 0 321.381 -0.143 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000834020498 605851835 /nfs/dbraw/zinc/85/18/35/605851835.db2.gz BPTQBYSLFJVLBC-JMJZKYOTSA-N -1 0 311.338 -0.773 20 0 DBADRM C[C@@]1(C(=O)OCCCS(N)(=O)=O)CCCN(C(=O)[O-])C1 ZINC000833821962 605854767 /nfs/dbraw/zinc/85/47/67/605854767.db2.gz GMGILNXHCJQSBU-LLVKDONJSA-N -1 0 308.356 -0.012 20 0 DBADRM O=C([O-])N1CCC[C@H](OCC(=O)OCC2(CO)COC2)C1 ZINC000834011066 605858859 /nfs/dbraw/zinc/85/88/59/605858859.db2.gz RLLRZGTYGMIBOW-JTQLQIEISA-N -1 0 303.311 -0.303 20 0 DBADRM CC[C@]1(C(=O)NCCN2CCNC(=O)C2)CCCN1C(=O)[O-] ZINC000833842923 605861450 /nfs/dbraw/zinc/86/14/50/605861450.db2.gz BWFOXKAOONPCFI-CQSZACIVSA-N -1 0 312.370 -0.543 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)CN1CCCS1(=O)=O)C1CC1 ZINC000834139443 605862697 /nfs/dbraw/zinc/86/26/97/605862697.db2.gz GMWJVRGHVCNDAL-VIFPVBQESA-N -1 0 305.356 -0.816 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)CNC(=O)c1cccnc1)C1CC1 ZINC000834140437 605874142 /nfs/dbraw/zinc/87/41/42/605874142.db2.gz OIBDSDRWSIFQCN-NSHDSACASA-N -1 0 306.322 -0.026 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833882750 605876893 /nfs/dbraw/zinc/87/68/93/605876893.db2.gz ADYVNNZTKRJSBK-ZJUUUORDSA-N -1 0 309.388 -0.213 20 0 DBADRM O=C([O-])NCc1nc(C(=O)N2CCO[C@H](CO)C2)cs1 ZINC000832734728 605877084 /nfs/dbraw/zinc/87/70/84/605877084.db2.gz LHYAFXDKHPKDII-ZETCQYMHSA-N -1 0 301.324 -0.256 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000833950320 605878651 /nfs/dbraw/zinc/87/86/51/605878651.db2.gz GMGHEQSLFVSNDF-QMMMGPOBSA-N -1 0 313.335 -0.240 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000833950569 605878844 /nfs/dbraw/zinc/87/88/44/605878844.db2.gz IKNZUCUDHDSBAQ-VIFPVBQESA-N -1 0 311.294 -0.914 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000833950551 605879062 /nfs/dbraw/zinc/87/90/62/605879062.db2.gz IFYOEMSOYDDRHV-ZDUSSCGKSA-N -1 0 313.285 -0.201 20 0 DBADRM NS(=O)(=O)CCCOC(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833986110 605879546 /nfs/dbraw/zinc/87/95/46/605879546.db2.gz HZQGVOOWLHIAQT-VIFPVBQESA-N -1 0 320.367 -0.012 20 0 DBADRM NS(=O)(=O)CCCOC(=O)[C@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833986109 605879652 /nfs/dbraw/zinc/87/96/52/605879652.db2.gz HZQGVOOWLHIAQT-SECBINFHSA-N -1 0 320.367 -0.012 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000824832947 605880072 /nfs/dbraw/zinc/88/00/72/605880072.db2.gz KSPNGDSJSRDURF-VHSXEESVSA-N -1 0 321.399 -0.098 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC000824832946 605880174 /nfs/dbraw/zinc/88/01/74/605880174.db2.gz KSPNGDSJSRDURF-UWVGGRQHSA-N -1 0 321.399 -0.098 20 0 DBADRM NS(=O)(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000740336636 605883887 /nfs/dbraw/zinc/88/38/87/605883887.db2.gz ALHLREJDHDHCAN-JTQLQIEISA-N -1 0 315.351 -0.730 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)c2cnc3[nH]cnc3c2)CC1 ZINC000834040452 605886248 /nfs/dbraw/zinc/88/62/48/605886248.db2.gz BHXIQSQOKYBMBO-UHFFFAOYSA-N -1 0 318.337 -0.017 20 0 DBADRM O=C([O-])NCCCCC(=O)NCCC(=O)N1CCOCC1 ZINC000834235602 605889929 /nfs/dbraw/zinc/88/99/29/605889929.db2.gz JWPWOQGIXWZXOZ-UHFFFAOYSA-N -1 0 301.343 -0.211 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCNC1=O ZINC000823849901 605890214 /nfs/dbraw/zinc/89/02/14/605890214.db2.gz KIILGIYHUUTEDQ-MRVPVSSYSA-N -1 0 301.299 -0.236 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CC[C@H](NC(=O)[O-])C2)C1=O ZINC000739809805 605902419 /nfs/dbraw/zinc/90/24/19/605902419.db2.gz GVFRQGBMFRLJET-QPUJVOFHSA-N -1 0 300.315 -0.757 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NCCN(C(=O)[O-])C2CC2)CCO1 ZINC000833875520 605908642 /nfs/dbraw/zinc/90/86/42/605908642.db2.gz UQLAMSFDLHRERM-SNVBAGLBSA-N -1 0 314.342 -0.715 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)C[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834141226 605911088 /nfs/dbraw/zinc/91/10/88/605911088.db2.gz VDKJTFONGLQKKH-SCZZXKLOSA-N -1 0 304.368 -0.026 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CCO1 ZINC000833879056 605911169 /nfs/dbraw/zinc/91/11/69/605911169.db2.gz WOZQTCKFAMOVJS-UWVGGRQHSA-N -1 0 314.342 -0.811 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)CCN1CCCS1(=O)=O)C1CC1 ZINC000834142167 605914604 /nfs/dbraw/zinc/91/46/04/605914604.db2.gz YWAYYZPJNAQXHU-SNVBAGLBSA-N -1 0 319.383 -0.426 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000833898840 605921910 /nfs/dbraw/zinc/92/19/10/605921910.db2.gz WJVBHMPUXQYZRH-SECBINFHSA-N -1 0 322.321 -0.499 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)CCCCNC(=O)[O-] ZINC000833985937 605922375 /nfs/dbraw/zinc/92/23/75/605922375.db2.gz BODFQVNUBPEYPM-SECBINFHSA-N -1 0 307.372 -0.296 20 0 DBADRM O=C([O-])NCCCCC(=O)N1CCN(CCn2cncn2)CC1 ZINC000834235445 605924310 /nfs/dbraw/zinc/92/43/10/605924310.db2.gz DCOUSOCSKZVCLO-UHFFFAOYSA-N -1 0 324.385 -0.140 20 0 DBADRM O=C([O-])N1CCc2ncc(NC(=O)NC(CO)CO)cc2C1 ZINC000834061882 605927491 /nfs/dbraw/zinc/92/74/91/605927491.db2.gz JKOQUXOOQNKOKQ-UHFFFAOYSA-N -1 0 310.310 -0.408 20 0 DBADRM COCCN(CC(=O)N1CCN2C(=O)OCC[C@H]2C1)C(=O)[O-] ZINC000833884095 605927554 /nfs/dbraw/zinc/92/75/54/605927554.db2.gz BPKFYKXDOWGDKM-JTQLQIEISA-N -1 0 315.326 -0.334 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000834242437 605929037 /nfs/dbraw/zinc/92/90/37/605929037.db2.gz IUFNYZBBLYFUGS-LLVKDONJSA-N -1 0 311.342 -0.199 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@@]2(C)CCCCN2C(=O)[O-])CCO1 ZINC000833875742 605935947 /nfs/dbraw/zinc/93/59/47/605935947.db2.gz ALFZYKASADZLOQ-IINYFYTJSA-N -1 0 313.354 -0.118 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)C2(NC(=O)[O-])CCCCC2)CCO1 ZINC000833878166 605936076 /nfs/dbraw/zinc/93/60/76/605936076.db2.gz RQPSFHSVCCVFMW-JTQLQIEISA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1 ZINC000834140036 605936681 /nfs/dbraw/zinc/93/66/81/605936681.db2.gz MZDJYHSCLOPECH-VHSXEESVSA-N -1 0 320.305 -0.290 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccc(CCCO)c1 ZINC000834198705 605937354 /nfs/dbraw/zinc/93/73/54/605937354.db2.gz NVWQIVXJXFUPOB-UHFFFAOYSA-N -1 0 309.322 -0.066 20 0 DBADRM O=C([O-])NC1CCC(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000834162325 605941640 /nfs/dbraw/zinc/94/16/40/605941640.db2.gz CVFIWNURBYUUIE-RTBKNWGFSA-N -1 0 324.337 -0.425 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000834162980 605941791 /nfs/dbraw/zinc/94/17/91/605941791.db2.gz HZIQYTFLKLBOIE-YIZRAAEISA-N -1 0 310.310 -0.815 20 0 DBADRM O=C([O-])NCC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000834199690 605941817 /nfs/dbraw/zinc/94/18/17/605941817.db2.gz ISBHRQOQRQTIGQ-ZETCQYMHSA-N -1 0 322.364 -0.734 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739616205 605944921 /nfs/dbraw/zinc/94/49/21/605944921.db2.gz DSZTVDOFPDNAKL-VIFPVBQESA-N -1 0 307.372 -0.316 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)NC[C@@H](NC(=O)[O-])C2CC2)cn1 ZINC000833945930 605945399 /nfs/dbraw/zinc/94/53/99/605945399.db2.gz KKCNEGLTTBUPJD-MNOVXSKESA-N -1 0 311.342 -0.201 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)NCC1(O)CCOCC1)C1CC1 ZINC000834143778 605946847 /nfs/dbraw/zinc/94/68/47/605946847.db2.gz HJDRNMDIENMTCD-SNVBAGLBSA-N -1 0 301.343 -0.127 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN(c2ccc(C(=O)NCCO)nn2)C1 ZINC000834217755 605949250 /nfs/dbraw/zinc/94/92/50/605949250.db2.gz YSRJVZIILLLDEQ-JTQLQIEISA-N -1 0 323.353 -0.317 20 0 DBADRM O=C([O-])NCC1(C(=O)O[C@H]2CCCNC2=O)CCOCC1 ZINC000834207097 605950115 /nfs/dbraw/zinc/95/01/15/605950115.db2.gz PSPMEIGLPRUZAG-VIFPVBQESA-N -1 0 300.311 -0.127 20 0 DBADRM O=C([O-])NCC1(C(=O)OCC2(CO)COC2)CCOCC1 ZINC000834208053 605950608 /nfs/dbraw/zinc/95/06/08/605950608.db2.gz RIKDCOYTRUTLMV-UHFFFAOYSA-N -1 0 303.311 -0.397 20 0 DBADRM O=C(CN1CCCS1(=O)=O)O[C@H]1CCCN(C(=O)[O-])C1 ZINC000740366848 605957792 /nfs/dbraw/zinc/95/77/92/605957792.db2.gz ATHAOEWRSPDHGL-VIFPVBQESA-N -1 0 306.340 -0.293 20 0 DBADRM CCN(CCCNC(=O)CN(C(=O)[O-])C1CC1)S(C)(=O)=O ZINC000833858756 605962126 /nfs/dbraw/zinc/96/21/26/605962126.db2.gz PLDKQSSBEQDHDQ-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM Cc1nnccc1C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000833925852 605966891 /nfs/dbraw/zinc/96/68/91/605966891.db2.gz DYRPTDWFLLWQDB-UHFFFAOYSA-N -1 0 321.337 -0.321 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@H](C)NC(=O)[O-])[C@H](C)C1 ZINC000833880127 605978232 /nfs/dbraw/zinc/97/82/32/605978232.db2.gz TXUISGHROKWMFA-ZJUUUORDSA-N -1 0 301.343 -0.262 20 0 DBADRM CCCNC(=O)NC(=O)COC(=O)CN(C(=O)[O-])C1CC1 ZINC000833855066 605979320 /nfs/dbraw/zinc/97/93/20/605979320.db2.gz ARFWTFQKUTWJNV-UHFFFAOYSA-N -1 0 301.299 -0.092 20 0 DBADRM O=C([O-])N1CCCN1C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000834110794 605980615 /nfs/dbraw/zinc/98/06/15/605980615.db2.gz TXKQMLUCESXPRN-UHFFFAOYSA-N -1 0 307.270 -0.085 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)CN(C(=O)[O-])C2CC2)C1 ZINC000833985997 605984407 /nfs/dbraw/zinc/98/44/07/605984407.db2.gz DKXCDKGUUDLBCD-VIFPVBQESA-N -1 0 319.383 -0.344 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000833469659 605986692 /nfs/dbraw/zinc/98/66/92/605986692.db2.gz XWPVAWFCDJJBSH-ZJUUUORDSA-N -1 0 321.399 -0.324 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000833980060 605990774 /nfs/dbraw/zinc/99/07/74/605990774.db2.gz JHYOXOYOUXIIHS-SNVBAGLBSA-N -1 0 324.341 -0.972 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000833980056 605990806 /nfs/dbraw/zinc/99/08/06/605990806.db2.gz JHYOXOYOUXIIHS-JTQLQIEISA-N -1 0 324.341 -0.972 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCN(c3ncccn3)CC2)C1 ZINC000834158502 605992536 /nfs/dbraw/zinc/99/25/36/605992536.db2.gz MDDGNDLVWMTWJV-NSHDSACASA-N -1 0 320.353 -0.575 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCN(c3cnccn3)CC2)C1 ZINC000834157309 605993475 /nfs/dbraw/zinc/99/34/75/605993475.db2.gz GEILRKBGCLKCGU-NSHDSACASA-N -1 0 320.353 -0.575 20 0 DBADRM Cn1cc(/C=C/C(=O)N2CCCN2C(=O)[O-])c(=O)n(C)c1=O ZINC000833947200 605995886 /nfs/dbraw/zinc/99/58/86/605995886.db2.gz LYYDZOLSBFFHDV-SNAWJCMRSA-N -1 0 308.294 -0.776 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000834160014 605996446 /nfs/dbraw/zinc/99/64/46/605996446.db2.gz RIODUPCRLQGXKF-NWDGAFQWSA-N -1 0 323.353 -0.590 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCC[C@H](C3OCCO3)C2)C1 ZINC000834158241 605996528 /nfs/dbraw/zinc/99/65/28/605996528.db2.gz PMZOULDYZQXPMQ-QWRGUYRKSA-N -1 0 313.354 -0.103 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1COc2ccccc2C1=O ZINC000834195276 605998040 /nfs/dbraw/zinc/99/80/40/605998040.db2.gz CAKOEDUHIFZTJM-SECBINFHSA-N -1 0 321.289 -0.870 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1COc2ccccc2C1=O ZINC000834195277 605998046 /nfs/dbraw/zinc/99/80/46/605998046.db2.gz CAKOEDUHIFZTJM-VIFPVBQESA-N -1 0 321.289 -0.870 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCc1ccc(CO)cc1 ZINC000834043167 606001850 /nfs/dbraw/zinc/00/18/50/606001850.db2.gz RJLUODLGCJLBEO-QWHCGFSZSA-N -1 0 308.334 -0.049 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000834135788 606001930 /nfs/dbraw/zinc/00/19/30/606001930.db2.gz ZWCZLUZMAMDLKG-PHDIDXHHSA-N -1 0 300.283 -0.419 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCc1ccc(CO)cc1 ZINC000834196241 606002370 /nfs/dbraw/zinc/00/23/70/606002370.db2.gz JSXZDDDVXYIPEH-UHFFFAOYSA-N -1 0 309.322 -0.779 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)OCC(=O)N2CCNC2=O)cn1 ZINC000834278580 606012291 /nfs/dbraw/zinc/01/22/91/606012291.db2.gz NMQJPFDDZJGYFH-UHFFFAOYSA-N -1 0 309.238 -0.725 20 0 DBADRM Cn1ccc(CNC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)n1 ZINC000833953413 606020412 /nfs/dbraw/zinc/02/04/12/606020412.db2.gz VTRNAMGEETUKBY-UHFFFAOYSA-N -1 0 324.341 -0.959 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000834082769 606023959 /nfs/dbraw/zinc/02/39/59/606023959.db2.gz GBVGAMWVTBRXCM-GFCCVEGCSA-N -1 0 303.290 -0.947 20 0 DBADRM NC(=O)CCn1ccc(NC(=O)c2cnc(NC(=O)[O-])cn2)n1 ZINC000833984360 606024805 /nfs/dbraw/zinc/02/48/05/606024805.db2.gz DTHUHPSASDYPHE-UHFFFAOYSA-N -1 0 319.281 -0.109 20 0 DBADRM O=C([O-])N1CCCC[C@H]1CNC(=O)NC[C@@]1(O)CCOC1 ZINC000834028569 606025456 /nfs/dbraw/zinc/02/54/56/606025456.db2.gz ZYKPIQZSNGZDBK-GWCFXTLKSA-N -1 0 301.343 -0.031 20 0 DBADRM O=C([O-])N1CC[C@@H](CCNC(=O)NC[C@@]2(O)CCOC2)C1 ZINC000834036821 606026874 /nfs/dbraw/zinc/02/68/74/606026874.db2.gz FPYIYTLCYWXFDU-MFKMUULPSA-N -1 0 301.343 -0.173 20 0 DBADRM O=C([O-])N1CCCC[C@@H](NC(=O)NC[C@@]2(O)CCOC2)C1 ZINC000834023389 606027229 /nfs/dbraw/zinc/02/72/29/606027229.db2.gz ZBEQURJBUFYAMA-MFKMUULPSA-N -1 0 301.343 -0.031 20 0 DBADRM O=C([O-])N1CC[C@H](CCNC(=O)NC[C@]2(O)CCOC2)C1 ZINC000834036819 606027252 /nfs/dbraw/zinc/02/72/52/606027252.db2.gz FPYIYTLCYWXFDU-GXFFZTMASA-N -1 0 301.343 -0.173 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NC[C@]1(O)CCOC1 ZINC000834210185 606027539 /nfs/dbraw/zinc/02/75/39/606027539.db2.gz HZPKZBMEDAQQOQ-OUJBWJOFSA-N -1 0 301.343 -0.127 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000834127626 606028403 /nfs/dbraw/zinc/02/84/03/606028403.db2.gz ICROLBZXJYZWRT-RQJHMYQMSA-N -1 0 319.264 -0.316 20 0 DBADRM O=C([O-])N1CCSC[C@@H]1CC(=O)NC[C@@]1(O)CCOC1 ZINC000833989618 606034920 /nfs/dbraw/zinc/03/49/20/606034920.db2.gz YMOAJTHJYIJIBD-CABZTGNLSA-N -1 0 304.368 -0.261 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)NC[C@H]2CCCS2(=O)=O)cn1 ZINC000834281046 606035898 /nfs/dbraw/zinc/03/58/98/606035898.db2.gz VYWRJHPRLZANMB-SSDOTTSWSA-N -1 0 314.323 -0.127 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)NCCCN1C(=O)CNC1=O ZINC000834132252 606042070 /nfs/dbraw/zinc/04/20/70/606042070.db2.gz YDNFGHYQWXACIO-LURJTMIESA-N -1 0 322.268 -0.664 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)N[C@@H]2CCc3ncnn3C2)cn1 ZINC000834279073 606057933 /nfs/dbraw/zinc/05/79/33/606057933.db2.gz HVYFIMMCWLHFFU-SSDOTTSWSA-N -1 0 303.282 -0.097 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833950686 606059047 /nfs/dbraw/zinc/05/90/47/606059047.db2.gz KYXWOKLWGNTWCT-UHFFFAOYSA-N -1 0 319.277 -0.099 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)N2CCN3C(=O)OC[C@H]3C2)cn1 ZINC000834279605 606061561 /nfs/dbraw/zinc/06/15/61/606061561.db2.gz OCUDDDMVLQKPES-SSDOTTSWSA-N -1 0 307.266 -0.157 20 0 DBADRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCCC(=O)NC(N)=O ZINC000833824557 606065412 /nfs/dbraw/zinc/06/54/12/606065412.db2.gz FOHICVISGWZKIG-AMIZOPFISA-N -1 0 314.342 -0.096 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000834134505 606073655 /nfs/dbraw/zinc/07/36/55/606073655.db2.gz TVSNFSANMHORGN-RQJHMYQMSA-N -1 0 307.253 -0.059 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000834134497 606073667 /nfs/dbraw/zinc/07/36/67/606073667.db2.gz TVSNFSANMHORGN-BQBZGAKWSA-N -1 0 307.253 -0.059 20 0 DBADRM O=C([O-])N1CCN(C(=O)NCC2CCS(=O)(=O)CC2)CC1 ZINC000834113565 606082390 /nfs/dbraw/zinc/08/23/90/606082390.db2.gz QVBBMSIVVLUMEX-UHFFFAOYSA-N -1 0 319.383 -0.184 20 0 DBADRM Cn1ccnc1[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000833954349 606083411 /nfs/dbraw/zinc/08/34/11/606083411.db2.gz HSLQVWWUDQAUTJ-MXWKQRLJSA-N -1 0 308.338 -0.151 20 0 DBADRM O=C([O-])NCCNC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000834243986 606086220 /nfs/dbraw/zinc/08/62/20/606086220.db2.gz YVJLGZCVBUJXJQ-SECBINFHSA-N -1 0 303.315 -0.525 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCC1CCS(=O)(=O)CC1 ZINC000834031303 606087124 /nfs/dbraw/zinc/08/71/24/606087124.db2.gz NEXCREHREIGVHW-JTQLQIEISA-N -1 0 320.367 -0.694 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000833480742 606092832 /nfs/dbraw/zinc/09/28/32/606092832.db2.gz SAXJMRQWGSPLPE-MNOVXSKESA-N -1 0 315.370 -0.280 20 0 DBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N(C)CCO ZINC000822004616 606183394 /nfs/dbraw/zinc/18/33/94/606183394.db2.gz JSZLSXCEFYLQNS-UHFFFAOYSA-N -1 0 320.353 -0.033 20 0 DBADRM COCCC(C)(C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821686051 606423121 /nfs/dbraw/zinc/42/31/21/606423121.db2.gz ZFQJTFRBTHCLTI-UHFFFAOYSA-N -1 0 323.357 -0.509 20 0 DBADRM C[C@@H]1[C@@H](C)CCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820727408 606424446 /nfs/dbraw/zinc/42/44/46/606424446.db2.gz LTBHIXXYMCHAOU-JGVFFNPUSA-N -1 0 305.342 -0.501 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000388402547 607108201 /nfs/dbraw/zinc/10/82/01/607108201.db2.gz VSKZGSKDNBBECS-SNVBAGLBSA-N -1 0 303.278 -0.208 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000388255133 607108310 /nfs/dbraw/zinc/10/83/10/607108310.db2.gz LFXRBIGLXWRUGB-JTQLQIEISA-N -1 0 303.278 -0.208 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821594110 607206345 /nfs/dbraw/zinc/20/63/45/607206345.db2.gz YZAOORMJQFOQKL-UHFFFAOYSA-N -1 0 311.323 -0.287 20 0 DBADRM C[C@H]1c2cccn2CCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820827743 607206433 /nfs/dbraw/zinc/20/64/33/607206433.db2.gz WJPYYZBPVHTEOW-VIFPVBQESA-N -1 0 313.325 -0.137 20 0 DBADRM COC(=O)C1(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCC1 ZINC000821654182 607209483 /nfs/dbraw/zinc/20/94/83/607209483.db2.gz WIALMXJRSBJSKV-UHFFFAOYSA-N -1 0 320.313 -0.940 20 0 DBADRM CN(C)c1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)nc1 ZINC000821589259 607211287 /nfs/dbraw/zinc/21/12/87/607211287.db2.gz FWZHUITXJRIWKT-UHFFFAOYSA-N -1 0 314.313 -0.442 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cnc(C2CC2)nc1 ZINC000823136162 607214422 /nfs/dbraw/zinc/21/44/22/607214422.db2.gz MOAFQNDCRGTVEB-UHFFFAOYSA-N -1 0 312.297 -0.236 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC1CCSCC1 ZINC000823126016 607217179 /nfs/dbraw/zinc/21/71/79/607217179.db2.gz FGBIFZCGDDSDIY-UHFFFAOYSA-N -1 0 308.371 -0.282 20 0 DBADRM CC(C)(C)C[C@@H](O)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000819906026 607217757 /nfs/dbraw/zinc/21/77/57/607217757.db2.gz ALNTUZFYOKBCGK-MRVPVSSYSA-N -1 0 308.346 -0.629 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCOc1cccnc1 ZINC000823131665 607217799 /nfs/dbraw/zinc/21/77/99/607217799.db2.gz LOLFOYZOXXWLDF-UHFFFAOYSA-N -1 0 315.297 -0.952 20 0 DBADRM CCCC[C@@H](COC)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821043695 607218178 /nfs/dbraw/zinc/21/81/78/607218178.db2.gz SUAFPLXFFQKBAI-VIFPVBQESA-N -1 0 308.346 -0.220 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820136671 607220028 /nfs/dbraw/zinc/22/00/28/607220028.db2.gz AHBBYYKFSXRSDU-MRVPVSSYSA-N -1 0 322.329 -0.838 20 0 DBADRM CO[C@@]1(C)C[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1(C)C ZINC000821678350 607220772 /nfs/dbraw/zinc/22/07/72/607220772.db2.gz MRKDVGYYGZCPHI-OQPBUACISA-N -1 0 320.357 -0.222 20 0 DBADRM CCCCCOC1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821056349 607220781 /nfs/dbraw/zinc/22/07/81/607220781.db2.gz OPOMBTXNAHRUBM-UHFFFAOYSA-N -1 0 320.357 -0.124 20 0 DBADRM CCC1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCOCC1 ZINC000820962484 607221052 /nfs/dbraw/zinc/22/10/52/607221052.db2.gz SLXUORCGUIQRMB-UHFFFAOYSA-N -1 0 320.357 -0.219 20 0 DBADRM CO[C@@H]1C[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1(C)C ZINC000821677766 607222261 /nfs/dbraw/zinc/22/22/61/607222261.db2.gz DUOPMKAPRNUSDP-JGVFFNPUSA-N -1 0 306.330 -0.612 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000823127089 607223923 /nfs/dbraw/zinc/22/39/23/607223923.db2.gz SLDYKGMNFFOLHW-IVZWLZJFSA-N -1 0 318.341 -0.468 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000823127090 607224140 /nfs/dbraw/zinc/22/41/40/607224140.db2.gz SLDYKGMNFFOLHW-OPRDCNLKSA-N -1 0 318.341 -0.468 20 0 DBADRM CCC(CC)[C@H](O)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820893512 607224361 /nfs/dbraw/zinc/22/43/61/607224361.db2.gz POQUOAWCGOAXHQ-SECBINFHSA-N -1 0 308.346 -0.629 20 0 DBADRM Cc1ccc([C@H](O)CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)o1 ZINC000822230476 607224376 /nfs/dbraw/zinc/22/43/76/607224376.db2.gz HSTXYKUDUPXHOB-MRVPVSSYSA-N -1 0 318.297 -0.791 20 0 DBADRM CN(CCOC(C)(C)C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821603885 607225079 /nfs/dbraw/zinc/22/50/79/607225079.db2.gz SWWACMQQKHEOJA-UHFFFAOYSA-N -1 0 308.346 -0.268 20 0 DBADRM CC(C)c1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n[nH]1 ZINC000820187706 607233585 /nfs/dbraw/zinc/23/35/85/607233585.db2.gz NSMNPPKJXQGGDQ-UHFFFAOYSA-N -1 0 302.302 -0.057 20 0 DBADRM O=C([N-]S(=O)(=O)c1cccnc1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826450649 607776950 /nfs/dbraw/zinc/77/69/50/607776950.db2.gz WXDNAQFUPJLNRJ-UHFFFAOYSA-N -1 0 319.306 -0.292 20 0 DBADRM CN(CC1(O)CCCC1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825901504 607778041 /nfs/dbraw/zinc/77/80/41/607778041.db2.gz HSTKPJDCLFDZSC-UHFFFAOYSA-N -1 0 306.330 -0.778 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2nccc(C)n2)c1=O ZINC000825799864 607893349 /nfs/dbraw/zinc/89/33/49/607893349.db2.gz UUAKWJCTAGRKGQ-UHFFFAOYSA-N -1 0 314.309 -0.643 20 0 DBADRM CN(c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)[C@@H]1CCSC1 ZINC000826004455 607905347 /nfs/dbraw/zinc/90/53/47/607905347.db2.gz YULNVOODLTWGIW-SSDOTTSWSA-N -1 0 323.382 -0.794 20 0 DBADRM C[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)c1cn[nH]c1 ZINC000824650304 607935484 /nfs/dbraw/zinc/93/54/84/607935484.db2.gz QOSUKWFVJQWSCL-ZCFIWIBFSA-N -1 0 317.313 -0.840 20 0 DBADRM O=C([O-])CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000826461397 608010791 /nfs/dbraw/zinc/01/07/91/608010791.db2.gz SKAFAKXYFHIWGT-UHFFFAOYSA-N -1 0 315.286 -0.241 20 0 DBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000826461473 608010813 /nfs/dbraw/zinc/01/08/13/608010813.db2.gz WJFWNJQIXYNOKI-SSDOTTSWSA-N -1 0 324.322 -0.643 20 0 DBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826461247 608010959 /nfs/dbraw/zinc/01/09/59/608010959.db2.gz MQYOZCYZTXDOGW-SECBINFHSA-N -1 0 323.334 -0.038 20 0 DBADRM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N[C@@H](C)C(=O)[O-] ZINC000826255824 608011709 /nfs/dbraw/zinc/01/17/09/608011709.db2.gz LQTKWTOOMOHIIB-ZETCQYMHSA-N -1 0 311.323 -0.073 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCOC[C@H]1C1CC1 ZINC000826425262 608040036 /nfs/dbraw/zinc/04/00/36/608040036.db2.gz WINISJBEPQIVFH-VIFPVBQESA-N -1 0 304.314 -0.904 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)C2CCCCC2)c1=O ZINC000826356258 608095891 /nfs/dbraw/zinc/09/58/91/608095891.db2.gz IOFOWACXIQDJLE-UHFFFAOYSA-N -1 0 318.337 -0.124 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCOCC12CCCC2 ZINC000826425061 608102857 /nfs/dbraw/zinc/10/28/57/608102857.db2.gz OGGLRVZFNXUXAS-UHFFFAOYSA-N -1 0 318.341 -0.370 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@]2(C)CCCOC2)n(C)c1=O ZINC000826356035 608244611 /nfs/dbraw/zinc/24/46/11/608244611.db2.gz XXTPZBSDYWELGS-CYBMUJFWSA-N -1 0 321.341 -0.755 20 0 DBADRM C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)[N-]OCC(N)=O ZINC000824738558 608279562 /nfs/dbraw/zinc/27/95/62/608279562.db2.gz QEKFAFXGZSUZCM-ZETCQYMHSA-N -1 0 306.282 -0.833 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[nH]n2)nc1C ZINC000825805233 608305308 /nfs/dbraw/zinc/30/53/08/608305308.db2.gz YQQFMSUTUOACGA-UHFFFAOYSA-N -1 0 323.342 -0.085 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)OCc1n[nH]c(=O)[n-]1 ZINC000826418704 608443602 /nfs/dbraw/zinc/44/36/02/608443602.db2.gz SKQSPGXAZZWREY-UHFFFAOYSA-N -1 0 317.265 -0.187 20 0 DBADRM C[C@@H](O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820480862 608560964 /nfs/dbraw/zinc/56/09/64/608560964.db2.gz PXSHPJOXXBTFFI-RXMQYKEDSA-N -1 0 319.293 -0.196 20 0 DBADRM C[C@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@@H]1F ZINC000824961619 609320182 /nfs/dbraw/zinc/32/01/82/609320182.db2.gz DUFNQVDIRMHJRE-YUMQZZPRSA-N -1 0 323.332 -0.552 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H](CO)c1ccccc1 ZINC000826425187 609395372 /nfs/dbraw/zinc/39/53/72/609395372.db2.gz SOTWYQHXARCJTN-JTQLQIEISA-N -1 0 314.309 -0.692 20 0 DBADRM CS(=O)(=O)CC1(Cn2cccc(-c3nnn[n-]3)c2=O)CC1 ZINC000826222911 609429585 /nfs/dbraw/zinc/42/95/85/609429585.db2.gz SHTDQKMVDROOKH-UHFFFAOYSA-N -1 0 309.351 -0.147 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCC[C@H]2CCOC2)n(C)c1=O ZINC000826355559 609603540 /nfs/dbraw/zinc/60/35/40/609603540.db2.gz FNQDOXKPQZCTPG-QMMMGPOBSA-N -1 0 321.341 -0.897 20 0 DBADRM CC(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc([O-])n(C)c1=O ZINC000976932091 665410274 /nfs/dbraw/zinc/41/02/74/665410274.db2.gz ARPNUNIVMSULLR-URLYPYJESA-N -1 0 320.349 -0.672 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O)C(=O)C1CC1 ZINC000977234145 665450890 /nfs/dbraw/zinc/45/08/90/665450890.db2.gz OCTMEXBKLMCDMT-JTQLQIEISA-N -1 0 320.349 -0.431 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnon1 ZINC000977381310 665464173 /nfs/dbraw/zinc/46/41/73/665464173.db2.gz JYIJBDSHMZWRQI-MRVPVSSYSA-N -1 0 307.314 -0.466 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1CCOCC1 ZINC000977745729 665499059 /nfs/dbraw/zinc/49/90/59/665499059.db2.gz ZAUXRSJKJUHZQK-CNDDSTCGSA-N -1 0 321.381 -0.269 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)no1 ZINC000977779003 665500151 /nfs/dbraw/zinc/50/01/51/665500151.db2.gz RXCCCADSHBOPJW-OWUUHHOZSA-N -1 0 318.337 -0.085 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000663026791 665500418 /nfs/dbraw/zinc/50/04/18/665500418.db2.gz PJOFGRZXHGGOFU-SECBINFHSA-N -1 0 307.372 -0.775 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1=COCCC1 ZINC000977883942 665505628 /nfs/dbraw/zinc/50/56/28/665505628.db2.gz PKOGVBXNICJGSL-CNDDSTCGSA-N -1 0 319.365 -0.001 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@H]1CCCCO1 ZINC000977997276 665511977 /nfs/dbraw/zinc/51/19/77/665511977.db2.gz MLIVDJVQIJGICP-WISYIIOYSA-N -1 0 321.381 -0.127 20 0 DBADRM CN(C[C@H]1CCN1C(=O)C(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978072170 665516768 /nfs/dbraw/zinc/51/67/68/665516768.db2.gz NFXNMISDGQVTIH-RXMQYKEDSA-N -1 0 317.252 -0.779 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978071004 665516895 /nfs/dbraw/zinc/51/68/95/665516895.db2.gz KAKRQZDOPAWBQK-SGDMMICCSA-N -1 0 321.337 -0.078 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2nc[nH]n2)c1[O-] ZINC000978191430 665525576 /nfs/dbraw/zinc/52/55/76/665525576.db2.gz GMRWAMXIZMPXFS-MRVPVSSYSA-N -1 0 319.325 -0.471 20 0 DBADRM Cn1cncc1C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000978466000 665539723 /nfs/dbraw/zinc/53/97/23/665539723.db2.gz KMCBERZRBGSZGY-OWUUHHOZSA-N -1 0 317.353 -0.648 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000978561628 665543741 /nfs/dbraw/zinc/54/37/41/665543741.db2.gz RPGLPACJVPZDNB-AXTSPUMRSA-N -1 0 323.353 -0.644 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)O1 ZINC000978721271 665562577 /nfs/dbraw/zinc/56/25/77/665562577.db2.gz OVDARKATLPWEIT-PZWNZHSQSA-N -1 0 321.381 -0.128 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC000909397963 665563745 /nfs/dbraw/zinc/56/37/45/665563745.db2.gz AOKVBINZRMMGFG-UHFFFAOYSA-N -1 0 302.352 -0.655 20 0 DBADRM Cc1nonc1C(=O)N1CCC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001027702599 665585608 /nfs/dbraw/zinc/58/56/08/665585608.db2.gz HXEOZGNBPGFLJM-SECBINFHSA-N -1 0 321.341 -0.062 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000979060759 665597400 /nfs/dbraw/zinc/59/74/00/665597400.db2.gz CPYRZXHUXCXJMU-MAUMQABQSA-N -1 0 321.337 -0.437 20 0 DBADRM Cc1nonc1C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000979115700 665606039 /nfs/dbraw/zinc/60/60/39/665606039.db2.gz ODCTWMRKXKSBJR-PSVAKVPMSA-N -1 0 319.325 -0.690 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)nn1C ZINC001027778775 665635290 /nfs/dbraw/zinc/63/52/90/665635290.db2.gz SKXPHCUWKRNQKX-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000979429490 665651518 /nfs/dbraw/zinc/65/15/18/665651518.db2.gz QXGCOIIHRCTCLU-BGZDPUMWSA-N -1 0 321.337 -0.437 20 0 DBADRM CCC(=O)N1C[C@@H]2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000979540967 665666695 /nfs/dbraw/zinc/66/66/95/665666695.db2.gz OHAFEVQDMRRSPS-IVZWLZJFSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000979560786 665670387 /nfs/dbraw/zinc/67/03/87/665670387.db2.gz MAEKSTXRZRYPNG-DJLDLDEBSA-N -1 0 307.310 -0.731 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000979560788 665670495 /nfs/dbraw/zinc/67/04/95/665670495.db2.gz MAEKSTXRZRYPNG-YIZRAAEISA-N -1 0 307.310 -0.731 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](NC(=O)c3cnon3)C2)c1[O-] ZINC000979647482 665676671 /nfs/dbraw/zinc/67/66/71/665676671.db2.gz LYQGLJRIPHLDNJ-ZKCHVHJHSA-N -1 0 320.309 -0.255 20 0 DBADRM COc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)c3cn[nH]n3)C2)on1 ZINC000979659858 665677103 /nfs/dbraw/zinc/67/71/03/665677103.db2.gz DOXXWSYRQFVIIN-ZKCHVHJHSA-N -1 0 320.309 -0.260 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2Cc2ncnn2C)c1[O-] ZINC001027834100 665685191 /nfs/dbraw/zinc/68/51/91/665685191.db2.gz XRYSEMXOSRXRCX-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM CC(C)C(=O)N1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001010034865 665689426 /nfs/dbraw/zinc/68/94/26/665689426.db2.gz ZDNFAAORHAWBAC-IUCAKERBSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C(N[C@@H]1CC[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]12)c1cn[nH]n1 ZINC000979840896 665692219 /nfs/dbraw/zinc/69/22/19/665692219.db2.gz VDAXNIBCNIMKPD-OPRDCNLKSA-N -1 0 315.337 -0.192 20 0 DBADRM CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]12 ZINC000979856825 665693295 /nfs/dbraw/zinc/69/32/95/665693295.db2.gz AYDSKJYISSZSPM-HRDYMLBCSA-N -1 0 307.310 -0.731 20 0 DBADRM CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC000979874397 665694138 /nfs/dbraw/zinc/69/41/38/665694138.db2.gz XQNWBLIFQWDVSF-MVWJERBFSA-N -1 0 320.349 -0.527 20 0 DBADRM Cn1nncc1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027859866 665702433 /nfs/dbraw/zinc/70/24/33/665702433.db2.gz YNMNXQGQIFIRED-QMMMGPOBSA-N -1 0 306.330 -0.967 20 0 DBADRM O=C(NC[C@H]1C[C@H](NC(=O)C(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC000980065668 665713070 /nfs/dbraw/zinc/71/30/70/665713070.db2.gz BMCGYANUWDIKAV-URHBZAFASA-N -1 0 317.252 -0.828 20 0 DBADRM O=C(CC1CC1)N[C@H]1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000980068983 665716038 /nfs/dbraw/zinc/71/60/38/665716038.db2.gz USGIJICDJZSOLW-KYZUINATSA-N -1 0 321.337 -0.293 20 0 DBADRM Cc1nonc1C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000980550234 665773239 /nfs/dbraw/zinc/77/32/39/665773239.db2.gz LJBJGHTWZGCBBF-MRVPVSSYSA-N -1 0 307.314 -0.452 20 0 DBADRM O=C(NC[C@@H]1CCCN1[C@H]1CCNC1=O)c1cnc[nH]c1=O ZINC001027957987 665782250 /nfs/dbraw/zinc/78/22/50/665782250.db2.gz VFWYODPLRMQRID-ONGXEEELSA-N -1 0 305.338 -0.735 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000936661666 665783930 /nfs/dbraw/zinc/78/39/30/665783930.db2.gz FUGSNXIFPFDKAX-SNVBAGLBSA-N -1 0 322.365 -0.185 20 0 DBADRM Nc1nccnc1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980866176 665808046 /nfs/dbraw/zinc/80/80/46/665808046.db2.gz HWBIZDKWKPEMTF-UHFFFAOYSA-N -1 0 318.341 -0.769 20 0 DBADRM O=C(CCc1nnc[nH]1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980925952 665811559 /nfs/dbraw/zinc/81/15/59/665811559.db2.gz CZNGXMCVGFACEB-UHFFFAOYSA-N -1 0 320.357 -0.705 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000950060972 665811795 /nfs/dbraw/zinc/81/17/95/665811795.db2.gz GZZLEHNTRXJEQM-MRVPVSSYSA-N -1 0 309.326 -0.340 20 0 DBADRM O=C([O-])C[C@H](NC(=O)Cn1nc2ccccn2c1=O)C1CC1 ZINC000317314186 665812074 /nfs/dbraw/zinc/81/20/74/665812074.db2.gz BOMCWQPMADCWTP-JTQLQIEISA-N -1 0 304.306 -0.135 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN(Cc3nnnn3C)CC2)c1[O-] ZINC000980981809 665814628 /nfs/dbraw/zinc/81/46/28/665814628.db2.gz JOPDMVCXUXYLFA-UHFFFAOYSA-N -1 0 320.357 -0.705 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN(Cc3cn(C)nn3)CC2)c1[O-] ZINC000980981871 665814758 /nfs/dbraw/zinc/81/47/58/665814758.db2.gz LSHJSINCYGBYML-UHFFFAOYSA-N -1 0 319.369 -0.100 20 0 DBADRM CC(C)(C(N)=O)C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981384841 665847082 /nfs/dbraw/zinc/84/70/82/665847082.db2.gz AMZJXGCMACWUCX-UHFFFAOYSA-N -1 0 310.358 -0.944 20 0 DBADRM Cn1cncc1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981561752 665857675 /nfs/dbraw/zinc/85/76/75/665857675.db2.gz MXMCEQWTRVAGJB-UHFFFAOYSA-N -1 0 305.342 -0.408 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC3(C2)CCCN([C@H](C)C(N)=O)C3)c1[O-] ZINC000981713624 665869220 /nfs/dbraw/zinc/86/92/20/665869220.db2.gz AQCHDHGQOQBLQI-SNVBAGLBSA-N -1 0 321.381 -0.164 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981731055 665871016 /nfs/dbraw/zinc/87/10/16/665871016.db2.gz YNSDDRZTHYWEAW-UHFFFAOYSA-N -1 0 306.330 -0.715 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981770159 665875447 /nfs/dbraw/zinc/87/54/47/665875447.db2.gz FUZZUZORLQECPG-JTQLQIEISA-N -1 0 322.369 -0.835 20 0 DBADRM CC(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000981807598 665877180 /nfs/dbraw/zinc/87/71/80/665877180.db2.gz SDOPXIDMDAHAMN-DTWKUNHWSA-N -1 0 323.353 -0.047 20 0 DBADRM CCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000981808595 665877461 /nfs/dbraw/zinc/87/74/61/665877461.db2.gz GCDAIFXJSGKSKM-JGVFFNPUSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000981875463 665888057 /nfs/dbraw/zinc/88/80/57/665888057.db2.gz XTGMUGLXVNPROY-VHSXEESVSA-N -1 0 308.338 -0.480 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(C[C@H]2CCCCO2)CC1 ZINC000949111015 665890274 /nfs/dbraw/zinc/89/02/74/665890274.db2.gz CHUGABCTSJQHHK-SNVBAGLBSA-N -1 0 323.353 -0.390 20 0 DBADRM CCOC(=O)CN(C)S(=O)(=O)[N-]C(=O)C1(C(F)F)CC1 ZINC000893698168 665910277 /nfs/dbraw/zinc/91/02/77/665910277.db2.gz NCMQYWMYJUBOCW-UHFFFAOYSA-N -1 0 314.310 -0.112 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2[C@@H]2CCN(C)C2=O)c1[O-] ZINC001038162305 665934279 /nfs/dbraw/zinc/93/42/79/665934279.db2.gz UQFJFWVNQQLKJS-NXEZZACHSA-N -1 0 307.354 -0.541 20 0 DBADRM C/C=C(\C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000936808206 665937821 /nfs/dbraw/zinc/93/78/21/665937821.db2.gz DGQGOFKVWPFIMX-LFTMGRLWSA-N -1 0 319.321 -0.326 20 0 DBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)CC[C@@H]2CCCO2)cn1 ZINC000893712801 665961103 /nfs/dbraw/zinc/96/11/03/665961103.db2.gz RJHAZFCOEWFYNV-NSHDSACASA-N -1 0 301.368 -0.022 20 0 DBADRM CCC(=O)N1CC2(C1)CCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001010441241 663800115 /nfs/dbraw/zinc/80/01/15/663800115.db2.gz NKQVXVSIKQLAPR-UHFFFAOYSA-N -1 0 321.337 -0.243 20 0 DBADRM CC(=O)N1CC2(C1)CCCN(C(=O)c1cnc([O-])n(C)c1=O)C2 ZINC001010448700 663804303 /nfs/dbraw/zinc/80/43/03/663804303.db2.gz JSIXIMURITVBPX-UHFFFAOYSA-N -1 0 320.349 -0.430 20 0 DBADRM C[C@@H](NC(=O)c1cc[n+]([O-])cc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969252152 663809261 /nfs/dbraw/zinc/80/92/61/663809261.db2.gz NOEVOFDRZYZDJA-SECBINFHSA-N -1 0 318.337 -0.606 20 0 DBADRM Cc1ncoc1C(=O)N[C@H](C)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000969456752 663834801 /nfs/dbraw/zinc/83/48/01/663834801.db2.gz REUHUKSHYWXLAL-MRVPVSSYSA-N -1 0 320.353 -0.345 20 0 DBADRM C[C@H](NC(=O)c1cn(C)cn1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000969496306 663838220 /nfs/dbraw/zinc/83/82/20/663838220.db2.gz DCFXMQULEXDDDH-VIFPVBQESA-N -1 0 319.369 -0.908 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN([C@H](C)C(=O)N(C)C)C2)c1[O-] ZINC000969500042 663838856 /nfs/dbraw/zinc/83/88/56/663838856.db2.gz FXSNAYMTJYXMBN-WCBMZHEXSA-N -1 0 323.397 -0.049 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(Cc3cnn(C)n3)C2)c1[O-] ZINC000969499771 663838999 /nfs/dbraw/zinc/83/89/99/663838999.db2.gz AXWBHJWZQNNVKH-QMMMGPOBSA-N -1 0 319.369 -0.197 20 0 DBADRM CC[C@@H](C(N)=O)N1CC([C@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000969500065 663839004 /nfs/dbraw/zinc/83/90/04/663839004.db2.gz GIHWJTIVSRCWCG-XVKPBYJWSA-N -1 0 309.370 -0.262 20 0 DBADRM CC[C@H](C(N)=O)N1CC([C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000969500062 663839057 /nfs/dbraw/zinc/83/90/57/663839057.db2.gz GIHWJTIVSRCWCG-GMSGAONNSA-N -1 0 309.370 -0.262 20 0 DBADRM O=C(CCc1ccon1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949291878 663849762 /nfs/dbraw/zinc/84/97/62/663849762.db2.gz ABVOMPISXAZQJV-UHFFFAOYSA-N -1 0 306.326 -0.225 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H](NCc2nc(=O)n(C)[nH]2)C1)C(F)(F)F ZINC000969607690 663850548 /nfs/dbraw/zinc/85/05/48/663850548.db2.gz XXZXMJLIZHTARA-HTQZYQBOSA-N -1 0 321.303 -0.003 20 0 DBADRM CC(=O)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC001020634113 663880248 /nfs/dbraw/zinc/88/02/48/663880248.db2.gz IWSDAGQHLZJPER-CBAPKCEASA-N -1 0 309.326 -0.483 20 0 DBADRM Cc1ccn(CC(=O)N2CC[C@@H](NCc3nc(=O)n(C)[nH]3)C2)n1 ZINC000969998526 663890898 /nfs/dbraw/zinc/89/08/98/663890898.db2.gz POPVCHIMRZONTO-LLVKDONJSA-N -1 0 319.369 -0.996 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000804773141 663930440 /nfs/dbraw/zinc/93/04/40/663930440.db2.gz FKFNDANTGGZCSQ-VXGBXAGGSA-N -1 0 317.386 -0.704 20 0 DBADRM CCOC(=O)c1csc(CCNC(=O)c2cc(=O)[nH][n-]2)n1 ZINC000788008843 663931640 /nfs/dbraw/zinc/93/16/40/663931640.db2.gz QUAPAPYCWRQZIA-UHFFFAOYSA-N -1 0 310.335 -0.146 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCCc2nc(C)ncc21 ZINC000806233949 663934560 /nfs/dbraw/zinc/93/45/60/663934560.db2.gz AJYIPNKDFHELGM-LBPRGKRZSA-N -1 0 308.338 -0.027 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCC(=O)N1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970278057 663959521 /nfs/dbraw/zinc/95/95/21/663959521.db2.gz SAXRELFCZPPMGG-WPRPVWTQSA-N -1 0 322.369 -0.932 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN([C@@H]3CCN(C)C3=O)C2)c1[O-] ZINC001010642590 663965755 /nfs/dbraw/zinc/96/57/55/663965755.db2.gz SWJYBRAKUHMDNP-NXEZZACHSA-N -1 0 307.354 -0.541 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN([C@@H](C)C(=O)N(C)C)C2)c1[O-] ZINC001010643245 663967707 /nfs/dbraw/zinc/96/77/07/663967707.db2.gz UKMASVWINQLASK-UWVGGRQHSA-N -1 0 309.370 -0.295 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCC(=O)N1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970319234 663968722 /nfs/dbraw/zinc/96/87/22/663968722.db2.gz SAXRELFCZPPMGG-WCBMZHEXSA-N -1 0 322.369 -0.932 20 0 DBADRM C[C@@H](NC(=O)c1ccnnc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970487273 663998873 /nfs/dbraw/zinc/99/88/73/663998873.db2.gz APXUAGANSGMUGK-MRVPVSSYSA-N -1 0 303.326 -0.449 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)n1 ZINC000909856347 674581393 /nfs/dbraw/zinc/58/13/93/674581393.db2.gz RJCSJNSAKUAOBA-NEPJUHHUSA-N -1 0 309.322 -0.012 20 0 DBADRM C[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)C1CN(CC(N)=O)C1 ZINC000970737552 664043334 /nfs/dbraw/zinc/04/33/34/664043334.db2.gz OMSAPAWOFJMMTC-SSDOTTSWSA-N -1 0 319.321 -0.536 20 0 DBADRM COCC(=O)N1CCC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CC[C@@H]21 ZINC001021481963 664047177 /nfs/dbraw/zinc/04/71/77/664047177.db2.gz KWBWGANWZMOPGU-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM COCC(=O)N1CCC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CC[C@H]21 ZINC001021481961 664047222 /nfs/dbraw/zinc/04/72/22/664047222.db2.gz KWBWGANWZMOPGU-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1)CC2 ZINC000909894450 674584831 /nfs/dbraw/zinc/58/48/31/674584831.db2.gz DLBJXHWMHKXRPI-FBIMIBRVSA-N -1 0 308.338 -0.151 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)C(C)(C)C(N)=O)c1[O-] ZINC000949429402 664079797 /nfs/dbraw/zinc/07/97/97/664079797.db2.gz BAXLAWDGPKADNF-QMMMGPOBSA-N -1 0 323.353 -0.734 20 0 DBADRM Cc1nonc1C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970977157 664087191 /nfs/dbraw/zinc/08/71/91/664087191.db2.gz ZMAWRQPTHHESII-ZCFIWIBFSA-N -1 0 307.314 -0.548 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2cnnn2C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947271468 664093235 /nfs/dbraw/zinc/09/32/35/664093235.db2.gz IZKZKOUUOJHWJJ-IUCAKERBSA-N -1 0 320.357 -0.578 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H](O)C2CCOCC2)[C@H](C(=O)[O-])C1 ZINC000909982463 674588388 /nfs/dbraw/zinc/58/83/88/674588388.db2.gz IJZROGIMRSAOKT-WOPDTQHZSA-N -1 0 301.339 -0.136 20 0 DBADRM Cn1cc(/C=C\C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cn1 ZINC000317470082 664113607 /nfs/dbraw/zinc/11/36/07/664113607.db2.gz PVOCWUOSGCJBQW-IHWYPQMZSA-N -1 0 302.294 -0.194 20 0 DBADRM CC(C)[C@H](C(=O)N1CC(C)(C(=O)[O-])C1)N1CCCS1(=O)=O ZINC000910057499 674591180 /nfs/dbraw/zinc/59/11/80/674591180.db2.gz VYGSEVPYOKESGJ-SNVBAGLBSA-N -1 0 318.395 -0.020 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC000971248898 664129677 /nfs/dbraw/zinc/12/96/77/664129677.db2.gz HEPWJSKUFZSZEA-QWRGUYRKSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)N2CC(C)(C(=O)[O-])C2)c(=O)c1 ZINC000910061148 674592344 /nfs/dbraw/zinc/59/23/44/674592344.db2.gz QBCXFJQXCDGRQV-HNNXBMFYSA-N -1 0 308.334 -0.159 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC000971346885 664145549 /nfs/dbraw/zinc/14/55/49/664145549.db2.gz OPJOSKYNJVYMEI-ZJUUUORDSA-N -1 0 323.353 -0.504 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC000971346870 664145855 /nfs/dbraw/zinc/14/58/55/664145855.db2.gz OPJOSKYNJVYMEI-NXEZZACHSA-N -1 0 323.353 -0.504 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)Cc3cnn(C)n3)C2)c1[O-] ZINC000971360112 664147224 /nfs/dbraw/zinc/14/72/24/664147224.db2.gz IYZLXBDDVPHVPE-LLVKDONJSA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)Cc3nnnn3C)C2)c1[O-] ZINC000971362615 664147604 /nfs/dbraw/zinc/14/76/04/664147604.db2.gz ZRLCOUSALSUODI-SECBINFHSA-N -1 0 320.357 -0.706 20 0 DBADRM COCCCN(CCOC)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000090716406 664154778 /nfs/dbraw/zinc/15/47/78/664154778.db2.gz CJKKIRRLXHQKBJ-UHFFFAOYSA-N -1 0 300.315 -0.512 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC([C@H](F)C(=O)[O-])C1 ZINC000910133926 674593927 /nfs/dbraw/zinc/59/39/27/674593927.db2.gz HCXJCEUVFIJHJY-BDAKNGLRSA-N -1 0 308.331 -0.709 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)CC(C)(C)O)CC2)c1[O-] ZINC001011007186 664189478 /nfs/dbraw/zinc/18/94/78/664189478.db2.gz OBUOZBBZZDOCBE-UHFFFAOYSA-N -1 0 310.354 -0.131 20 0 DBADRM Cc1nnc(CC(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC000971498019 664196643 /nfs/dbraw/zinc/19/66/43/664196643.db2.gz YXGGDJPKYSUVGJ-VIFPVBQESA-N -1 0 321.341 -0.523 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000910252989 674599105 /nfs/dbraw/zinc/59/91/05/674599105.db2.gz XSWGJFRUOCAKLL-JTQLQIEISA-N -1 0 321.399 -0.562 20 0 DBADRM CC(=O)N1C[C@@H]2CCN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022099055 664214277 /nfs/dbraw/zinc/21/42/77/664214277.db2.gz BIFGRKVFWYJPAA-GXSJLCMTSA-N -1 0 321.337 -0.705 20 0 DBADRM CCN1CCO[C@H](C(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)[O-])C1 ZINC000910263022 674600933 /nfs/dbraw/zinc/60/09/33/674600933.db2.gz KEKSLWGXGVCWCZ-MJVIPROJSA-N -1 0 300.355 -0.202 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1 ZINC000924052830 664246234 /nfs/dbraw/zinc/24/62/34/664246234.db2.gz QOMBGWYDABUCOF-OUJBWJOFSA-N -1 0 301.343 -0.310 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC000971756198 664250463 /nfs/dbraw/zinc/25/04/63/664250463.db2.gz JVSKGDWDYMCZCQ-MRVPVSSYSA-N -1 0 319.325 -0.648 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001022299215 664256524 /nfs/dbraw/zinc/25/65/24/664256524.db2.gz DEVCVOORCJDQLT-LPEHRKFASA-N -1 0 322.369 -0.885 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001006861824 664259518 /nfs/dbraw/zinc/25/95/18/664259518.db2.gz HMNDSLFCKAUVON-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000971841846 664273636 /nfs/dbraw/zinc/27/36/36/664273636.db2.gz UTKAKSJQRNEMFC-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(CCF)[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000971852627 664277190 /nfs/dbraw/zinc/27/71/90/664277190.db2.gz DIFLEXSBWYJRDF-SECBINFHSA-N -1 0 313.333 -0.282 20 0 DBADRM C[C@H]1COCCN1C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926314306 664291342 /nfs/dbraw/zinc/29/13/42/664291342.db2.gz WXUIFRKQFYHHBU-ZMLRMANQSA-N -1 0 310.350 -0.197 20 0 DBADRM Cc1cncn1CC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000971949555 664302180 /nfs/dbraw/zinc/30/21/80/664302180.db2.gz KSDVLOLIKREPTN-LLVKDONJSA-N -1 0 319.369 -0.252 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2ccnc(N3CCOCC3)n2)C1 ZINC000910479733 674611124 /nfs/dbraw/zinc/61/11/24/674611124.db2.gz MAIYWIPORPMTDF-AWEZNQCLSA-N -1 0 308.338 -0.007 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)NC[C@@H]1CCSC1 ZINC000910489360 674611891 /nfs/dbraw/zinc/61/18/91/674611891.db2.gz DZAFNQPEMPVOKN-JTQLQIEISA-N -1 0 318.395 -0.195 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC000972112364 664333023 /nfs/dbraw/zinc/33/30/23/664333023.db2.gz PHDDKQQBUXKPJJ-UWVGGRQHSA-N -1 0 322.369 -0.836 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC000972131442 664337506 /nfs/dbraw/zinc/33/75/06/664337506.db2.gz ZMWLPPLXPULABI-ZJUUUORDSA-N -1 0 322.369 -0.979 20 0 DBADRM CNS(=O)(=O)c1ccccc1N1CCO[C@@H](C(=O)[O-])C1 ZINC000043703200 664339485 /nfs/dbraw/zinc/33/94/85/664339485.db2.gz JZEGGUIXDWVLMH-SNVBAGLBSA-N -1 0 300.336 -0.116 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC000972174004 664344609 /nfs/dbraw/zinc/34/46/09/664344609.db2.gz WMKMHARSDJTNGK-TVQRCGJNSA-N -1 0 313.333 -0.328 20 0 DBADRM Cc1ncc(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC000972170989 664344649 /nfs/dbraw/zinc/34/46/49/664344649.db2.gz DAOOOQMCWPLLMI-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1CC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000910519586 674613620 /nfs/dbraw/zinc/61/36/20/674613620.db2.gz CJKRPDKEPUWNGK-JTNHKYCSSA-N -1 0 301.339 -0.134 20 0 DBADRM CC(=O)N1CC[C@@H]2CN(C(=O)c3c[n-]n4c3nccc4=O)[C@@H]2C1 ZINC000972215709 664352684 /nfs/dbraw/zinc/35/26/84/664352684.db2.gz SEAYKPIJYAJXKS-ZYHUDNBSSA-N -1 0 315.333 -0.285 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1C(=O)[O-] ZINC000910498428 674613897 /nfs/dbraw/zinc/61/38/97/674613897.db2.gz VVICFHQGOMCDLK-DJZSBQJZSA-N -1 0 322.361 -0.152 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000910494688 674614132 /nfs/dbraw/zinc/61/41/32/674614132.db2.gz KLJRHNXLVYWWPH-GRYCIOLGSA-N -1 0 310.350 -0.007 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000910496616 674614140 /nfs/dbraw/zinc/61/41/40/674614140.db2.gz MIPNMLNAEIIOFM-LVEVGFFFSA-N -1 0 322.361 -0.008 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000910496717 674614652 /nfs/dbraw/zinc/61/46/52/674614652.db2.gz NRVCCFIMUPZNGR-QLHLUDRRSA-N -1 0 322.361 -0.152 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000910494689 674614660 /nfs/dbraw/zinc/61/46/60/674614660.db2.gz KLJRHNXLVYWWPH-SDDRHHMPSA-N -1 0 310.350 -0.007 20 0 DBADRM COCCN1CCO[C@@]2(CCN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC000972342464 664370913 /nfs/dbraw/zinc/37/09/13/664370913.db2.gz LBXIQPUXPWTAGA-HNNXBMFYSA-N -1 0 324.381 -0.013 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@]3(C2)CN(C[C@@H](C)O)CCO3)c1[O-] ZINC000972346998 664371946 /nfs/dbraw/zinc/37/19/46/664371946.db2.gz QXGRLXIUFLRWHA-BMIGLBTASA-N -1 0 324.381 -0.279 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@]3(C2)CN(CCO)CCO3)c1[O-] ZINC000972343901 664372104 /nfs/dbraw/zinc/37/21/04/664372104.db2.gz SEUHIIXWOOWIPY-AWEZNQCLSA-N -1 0 310.354 -0.667 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)C[C@H]1O ZINC001022853120 664383569 /nfs/dbraw/zinc/38/35/69/664383569.db2.gz MEYWZBBZCRTENO-VXGBXAGGSA-N -1 0 316.317 -0.343 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@H]1O ZINC001022851711 664384344 /nfs/dbraw/zinc/38/43/44/664384344.db2.gz FXXTTXAJDILXAO-RKDXNWHRSA-N -1 0 306.278 -0.750 20 0 DBADRM C/C=C(/C)C(=O)N1CC([C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006492412 664387150 /nfs/dbraw/zinc/38/71/50/664387150.db2.gz JGLXVKSXFDGTOF-NZGHECTNSA-N -1 0 321.337 -0.174 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000972429999 664400825 /nfs/dbraw/zinc/40/08/25/664400825.db2.gz XANSLVDWWYFISM-JTQLQIEISA-N -1 0 305.342 -0.491 20 0 DBADRM CC[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@@]1(F)C(=O)[O-] ZINC000910547340 674617826 /nfs/dbraw/zinc/61/78/26/674617826.db2.gz XCSPFUZVIAXLHO-PTRXPTGYSA-N -1 0 322.358 -0.318 20 0 DBADRM Cc1cnoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001022924333 664409294 /nfs/dbraw/zinc/40/92/94/664409294.db2.gz ZWKXJIQESPJLPK-DTORHVGOSA-N -1 0 306.326 -0.545 20 0 DBADRM CCC[C@@](C)(NC(=O)CNS(=O)(=O)CCCOC)C(=O)[O-] ZINC000262227208 664411757 /nfs/dbraw/zinc/41/17/57/664411757.db2.gz WDIJQBCLTRSCRS-GFCCVEGCSA-N -1 0 324.399 -0.298 20 0 DBADRM COCC[C@H](NC(=O)CS(=O)(=O)C1CCCC1)C(=O)[O-] ZINC000262287049 664439956 /nfs/dbraw/zinc/43/99/56/664439956.db2.gz KLVYEMFBSJSTJC-JTQLQIEISA-N -1 0 307.368 -0.050 20 0 DBADRM C[C@H]([C@H](C)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)S(C)(=O)=O ZINC000262315132 664447270 /nfs/dbraw/zinc/44/72/70/664447270.db2.gz QOEPXJRPKXTDDQ-QCLAVDOMSA-N -1 0 307.368 -0.101 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CC12CCOCC2 ZINC000910756091 674640585 /nfs/dbraw/zinc/64/05/85/674640585.db2.gz BCIDPFARPFAGHS-GHMZBOCLSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CCN3CCCS3(=O)=O)C[C@@H]21 ZINC000910842286 674647550 /nfs/dbraw/zinc/64/75/50/674647550.db2.gz QAPIGHJUANZDFM-JFGNBEQYSA-N -1 0 316.379 -0.409 20 0 DBADRM C[C@@H]1CN(C(=O)CCN2CCCS2(=O)=O)C[C@H]1CC(=O)[O-] ZINC000910863710 674648868 /nfs/dbraw/zinc/64/88/68/674648868.db2.gz OIOPYNHXYNYFCX-GHMZBOCLSA-N -1 0 318.395 -0.019 20 0 DBADRM CSC[C@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-] ZINC000910883398 674651333 /nfs/dbraw/zinc/65/13/33/674651333.db2.gz PCYAGMROIZVMMS-YFKPBYRVSA-N -1 0 302.274 -0.013 20 0 DBADRM C[C@](O)(CNC(=O)CCCS(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000262351417 664813172 /nfs/dbraw/zinc/81/31/72/664813172.db2.gz FGLVOZDTTYJXMR-LBPRGKRZSA-N -1 0 322.383 -0.856 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC(C)C3)C2)c1[O-] ZINC001023349843 664819565 /nfs/dbraw/zinc/81/95/65/664819565.db2.gz YVNLVRAXMWOHDV-LTCAWXSRSA-N -1 0 322.365 -0.229 20 0 DBADRM Cn1cc(C(=O)NC[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001023351444 664819745 /nfs/dbraw/zinc/81/97/45/664819745.db2.gz WHURZDKNHRXWAY-SECBINFHSA-N -1 0 320.357 -0.719 20 0 DBADRM CC(C)=CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001023411785 664824218 /nfs/dbraw/zinc/82/42/18/664824218.db2.gz HQFJCQRVZCTJQG-NXEZZACHSA-N -1 0 308.338 -0.309 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3(C)CC3)C[C@H]2O)c1[O-] ZINC001023422553 664825371 /nfs/dbraw/zinc/82/53/71/664825371.db2.gz NHGUNEDTESNKHB-RKDXNWHRSA-N -1 0 308.338 -0.475 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001023523967 664834175 /nfs/dbraw/zinc/83/41/75/664834175.db2.gz WEIIFUFNPATESF-VIFPVBQESA-N -1 0 320.357 -0.421 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000262780429 664855344 /nfs/dbraw/zinc/85/53/44/664855344.db2.gz NXFKBMQWTXFRLQ-SECBINFHSA-N -1 0 313.335 -0.457 20 0 DBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC[C@H]2CCOC2)C1 ZINC000926590698 664856747 /nfs/dbraw/zinc/85/67/47/664856747.db2.gz FIUMEXAPWUKVFT-VWYCJHECSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1[C@H](C(=O)[O-])C[C@@H]2OCC[C@@H]21 ZINC000926596035 664859037 /nfs/dbraw/zinc/85/90/37/664859037.db2.gz MGPTZMDDVCQPOY-QHZLYTNSSA-N -1 0 305.352 -0.190 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N1[C@@H](C(=O)[O-])C[C@@H]2OCC[C@@H]21 ZINC000926596036 664859114 /nfs/dbraw/zinc/85/91/14/664859114.db2.gz MGPTZMDDVCQPOY-QUARPLMYSA-N -1 0 305.352 -0.190 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H]1C ZINC001011332385 664865603 /nfs/dbraw/zinc/86/56/03/664865603.db2.gz DKFLYUGJOBEMNH-GZMMTYOYSA-N -1 0 303.322 -0.238 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)C1=COCCO1 ZINC000972771066 664869900 /nfs/dbraw/zinc/86/99/00/664869900.db2.gz FEBQQUPNEQPYMS-JTQLQIEISA-N -1 0 323.353 -0.275 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)[C@@H]1CCOC1 ZINC000972847319 664877904 /nfs/dbraw/zinc/87/79/04/664877904.db2.gz VWEAIYHXWXXMMN-ZJUUUORDSA-N -1 0 309.370 -0.127 20 0 DBADRM C[C@@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001024532458 664894541 /nfs/dbraw/zinc/89/45/41/664894541.db2.gz GYTCKGCXEOQRON-BDAKNGLRSA-N -1 0 311.342 -0.752 20 0 DBADRM C/C(=C/C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1)C1CC1 ZINC001024544577 664895713 /nfs/dbraw/zinc/89/57/13/664895713.db2.gz BJYYWMUCGNBDEV-CPUDXJHYSA-N -1 0 305.338 -0.538 20 0 DBADRM C/C(=C\C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1)C1CC1 ZINC001024544576 664895862 /nfs/dbraw/zinc/89/58/62/664895862.db2.gz BJYYWMUCGNBDEV-CNNIXMGKSA-N -1 0 305.338 -0.538 20 0 DBADRM O=C(NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001024607389 664903492 /nfs/dbraw/zinc/90/34/92/664903492.db2.gz XODAVYAZLBVVFI-DCQANWLSSA-N -1 0 321.381 -0.127 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)[N-]OC[C@H]2CCOC2)C1=O ZINC000935594270 664913480 /nfs/dbraw/zinc/91/34/80/664913480.db2.gz PCGOQXAGHDXHJD-QWRGUYRKSA-N -1 0 314.338 -0.518 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(N)=O ZINC000155144888 664914582 /nfs/dbraw/zinc/91/45/82/664914582.db2.gz NDDAVWRKLCDWFO-QMMMGPOBSA-N -1 0 312.269 -0.118 20 0 DBADRM Cc1nonc1C(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001024826826 664920224 /nfs/dbraw/zinc/92/02/24/664920224.db2.gz ZUKJTNICLZPRSX-SECBINFHSA-N -1 0 321.341 -0.014 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C2CC2)C1 ZINC001006493753 664924210 /nfs/dbraw/zinc/92/42/10/664924210.db2.gz NDYCVPOTCNSMBR-ZCFIWIBFSA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C2CC2)C1 ZINC001006493749 664924289 /nfs/dbraw/zinc/92/42/89/664924289.db2.gz NDYCVPOTCNSMBR-LURJTMIESA-N -1 0 307.310 -0.731 20 0 DBADRM O=C(Cc1cc[nH]n1)N1CCCC[C@@H]1C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001024909214 664927864 /nfs/dbraw/zinc/92/78/64/664927864.db2.gz UNSOVZIRELOROL-LLVKDONJSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000947659260 664940229 /nfs/dbraw/zinc/94/02/29/664940229.db2.gz LMVMTCPTBTXWDW-UHFFFAOYSA-N -1 0 309.326 -0.794 20 0 DBADRM CC(C)C(=O)N[C@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000973014496 664945618 /nfs/dbraw/zinc/94/56/18/664945618.db2.gz PWRPVEUKXNFCIF-KYZUINATSA-N -1 0 308.338 -0.481 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)CC2(C)C)c1[O-] ZINC000973043566 664951868 /nfs/dbraw/zinc/95/18/68/664951868.db2.gz ONCZDSGIUXHMAF-RKDXNWHRSA-N -1 0 309.370 -0.262 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)N(C)C)CC2(C)C)c1[O-] ZINC000973042491 664952805 /nfs/dbraw/zinc/95/28/05/664952805.db2.gz ILHZNDWSFAYNTG-SNVBAGLBSA-N -1 0 323.397 -0.048 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3cnns3)C2)c1[O-] ZINC000973067771 664959698 /nfs/dbraw/zinc/95/96/98/664959698.db2.gz ZBRUIMRLXDYUNO-LJGSYFOKSA-N -1 0 322.350 -0.034 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001025120184 664973723 /nfs/dbraw/zinc/97/37/23/664973723.db2.gz GYILJLSSAJKZQD-CPOMMVLXSA-N -1 0 320.349 -0.552 20 0 DBADRM CC(C)[C@H](C)C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000936188484 665005978 /nfs/dbraw/zinc/00/59/78/665005978.db2.gz FDDJKYSCXAPZKZ-DTWKUNHWSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC000973491292 665041495 /nfs/dbraw/zinc/04/14/95/665041495.db2.gz UCNXWPZCDBOIDZ-CIUDSAMLSA-N -1 0 321.337 -0.747 20 0 DBADRM C[C@@H](NC(=O)c1nnc[nH]1)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001025567373 665063518 /nfs/dbraw/zinc/06/35/18/665063518.db2.gz TTYQOBFJVCFBCD-RKDXNWHRSA-N -1 0 320.357 -0.341 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCc2nncn2CC1 ZINC000892846489 665070013 /nfs/dbraw/zinc/07/00/13/665070013.db2.gz OFEPFKXDDNAVPX-JTQLQIEISA-N -1 0 315.399 -0.067 20 0 DBADRM CC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973737127 665074465 /nfs/dbraw/zinc/07/44/65/665074465.db2.gz HKVSVTSBTVJYDJ-WDEREUQCSA-N -1 0 323.353 -0.451 20 0 DBADRM CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001025694505 665078323 /nfs/dbraw/zinc/07/83/23/665078323.db2.gz GRNSXBWULULQLW-DSPMHBFJSA-N -1 0 307.354 -0.518 20 0 DBADRM C[C@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001025758007 665083897 /nfs/dbraw/zinc/08/38/97/665083897.db2.gz NTGCAFVDNMCEMI-YFVNTRNASA-N -1 0 321.381 -0.128 20 0 DBADRM CCC(=O)N[C@@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C12CCC2 ZINC001025829345 665092497 /nfs/dbraw/zinc/09/24/97/665092497.db2.gz KOIWQYJOQNFGBW-HTQZYQBOSA-N -1 0 321.337 -0.150 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000314272903 665092974 /nfs/dbraw/zinc/09/29/74/665092974.db2.gz OMWNVJIDIZLDJM-DUXPYHPUSA-N -1 0 306.274 -0.255 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)n(C)c1=O ZINC000892998811 665101993 /nfs/dbraw/zinc/10/19/93/665101993.db2.gz LZPJPFVPFACFPS-SECBINFHSA-N -1 0 317.367 -0.790 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000893003168 665103470 /nfs/dbraw/zinc/10/34/70/665103470.db2.gz PGALHJQLWCNJNN-ATZCPNFKSA-N -1 0 305.352 -0.189 20 0 DBADRM C[C@@H]1CO[C@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000893080611 665117934 /nfs/dbraw/zinc/11/79/34/665117934.db2.gz NSFBOZAISDOVJI-IUCAKERBSA-N -1 0 315.351 -0.105 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973823451 665129279 /nfs/dbraw/zinc/12/92/79/665129279.db2.gz AAPUVJCUPLYSOZ-RULNZFCNSA-N -1 0 307.310 -0.684 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnn(C)c3)C2)c1[O-] ZINC000973861705 665135117 /nfs/dbraw/zinc/13/51/17/665135117.db2.gz GWKFFJKWXJVEOU-AOOOYVTPSA-N -1 0 318.337 -0.152 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccn[nH]3)C2)c1[O-] ZINC000973906429 665141359 /nfs/dbraw/zinc/14/13/59/665141359.db2.gz KMLMZHLFJJBMQG-OCAPTIKFSA-N -1 0 304.310 -0.162 20 0 DBADRM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000973991583 665154008 /nfs/dbraw/zinc/15/40/08/665154008.db2.gz GSVOPECFEXQCFQ-VDAHYXPESA-N -1 0 321.337 -0.294 20 0 DBADRM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000973999666 665154522 /nfs/dbraw/zinc/15/45/22/665154522.db2.gz ONETVVLTKIKHLJ-UJNFCWOMSA-N -1 0 323.353 -0.501 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)C2(Cl)CC2)O1 ZINC000893234842 665155113 /nfs/dbraw/zinc/15/51/13/665155113.db2.gz ITLHUYLDRMNGDQ-RQJHMYQMSA-N -1 0 311.743 -0.118 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3nnc[nH]3)C2)c1[O-] ZINC000974032653 665158272 /nfs/dbraw/zinc/15/82/72/665158272.db2.gz KUONPFVJONEHOX-KNVOCYPGSA-N -1 0 305.298 -0.767 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3nc[nH]n3)C2)c1[O-] ZINC000974033686 665158373 /nfs/dbraw/zinc/15/83/73/665158373.db2.gz YLWKIQJUSILEJG-OCAPTIKFSA-N -1 0 319.325 -0.838 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](NC(=O)c3nonc3C)C2)c1[O-] ZINC000974032895 665158530 /nfs/dbraw/zinc/15/85/30/665158530.db2.gz PPUZWOVIBKWHHF-OCAPTIKFSA-N -1 0 320.309 -0.194 20 0 DBADRM CN1C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)CCC1=O ZINC000974225260 665181351 /nfs/dbraw/zinc/18/13/51/665181351.db2.gz RQEITGXFXSEMND-BBBLOLIVSA-N -1 0 320.353 -0.950 20 0 DBADRM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1)c1cncnc1 ZINC000974297602 665188967 /nfs/dbraw/zinc/18/89/67/665188967.db2.gz ZVBSMJKCXLITCY-INTQDDNPSA-N -1 0 315.337 -0.225 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000974336203 665193533 /nfs/dbraw/zinc/19/35/33/665193533.db2.gz SPZIVCSOVJEKSK-UYXSQOIJSA-N -1 0 321.337 -0.294 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC000974348511 665195097 /nfs/dbraw/zinc/19/50/97/665195097.db2.gz UCNXWPZCDBOIDZ-HRDYMLBCSA-N -1 0 321.337 -0.747 20 0 DBADRM CC(=O)NC[C@H]1CCCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000974414047 665216855 /nfs/dbraw/zinc/21/68/55/665216855.db2.gz UIFYAYLNAQVXLM-SNVBAGLBSA-N -1 0 323.353 -0.410 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@]1(CO)CCOC1 ZINC000194484655 665222040 /nfs/dbraw/zinc/22/20/40/665222040.db2.gz DBNHXELZSLGGQO-GZMMTYOYSA-N -1 0 312.288 -0.043 20 0 DBADRM CC(=O)N1CC[C@@H]2CN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974484183 665224439 /nfs/dbraw/zinc/22/44/39/665224439.db2.gz AWRDEVNHEMXODS-MWLCHTKSSA-N -1 0 321.337 -0.705 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cn[nH]n1 ZINC000974784713 665247762 /nfs/dbraw/zinc/24/77/62/665247762.db2.gz NKJHZNFMVHCFRM-MRVPVSSYSA-N -1 0 306.330 -0.731 20 0 DBADRM O=C(CCc1cn[nH]c1)N1CC[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001027111439 665271632 /nfs/dbraw/zinc/27/16/32/665271632.db2.gz FIDJYQPLRUNCSO-LLVKDONJSA-N -1 0 319.369 -0.196 20 0 DBADRM O=C(NC[C@H]1CCCN(C(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000975421039 665279523 /nfs/dbraw/zinc/27/95/23/665279523.db2.gz WWWHWMFKDMOMKP-MRVPVSSYSA-N -1 0 321.337 -0.339 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21)C1CCC1 ZINC000976035794 665320021 /nfs/dbraw/zinc/32/00/21/665320021.db2.gz KELAVTKCUHYYQB-BRPSZJMVSA-N -1 0 319.321 -0.731 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCF)CC1 ZINC000893431058 665323456 /nfs/dbraw/zinc/32/34/56/665323456.db2.gz NVDQNAKSEKDXFX-UHFFFAOYSA-N -1 0 310.347 -0.018 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000976103647 665325323 /nfs/dbraw/zinc/32/53/23/665325323.db2.gz XRILMANNZRKPPI-DMAGGPPCSA-N -1 0 319.321 -0.875 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccn[nH]2)c1[O-] ZINC000976194119 665333161 /nfs/dbraw/zinc/33/31/61/665333161.db2.gz WYJAROVZRCRQGD-MBTKJCJQSA-N -1 0 316.321 -0.353 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]c2)c1[O-] ZINC000976207175 665334972 /nfs/dbraw/zinc/33/49/72/665334972.db2.gz PMAKQXDAGNLCFU-MYJAWHEDSA-N -1 0 316.321 -0.353 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cnon4)C[C@H]32)c1[O-] ZINC000976363079 665353088 /nfs/dbraw/zinc/35/30/88/665353088.db2.gz LJGDLFAGGMYYPC-QMSLJYSESA-N -1 0 318.293 -0.693 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N[C@]1(C(=O)[O-])CCSC1)CC2 ZINC000909357590 665357103 /nfs/dbraw/zinc/35/71/03/665357103.db2.gz NTQZPOGFEVRUMK-ISVAXAHUSA-N -1 0 310.379 -0.004 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncc[nH]2)c1[O-] ZINC000976469245 665361525 /nfs/dbraw/zinc/36/15/25/665361525.db2.gz BJLXRVFXFIACGV-BRPSZJMVSA-N -1 0 316.321 -0.353 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001027392919 665375867 /nfs/dbraw/zinc/37/58/67/665375867.db2.gz YQYFRLHUIVORSF-RKDXNWHRSA-N -1 0 324.341 -0.959 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001027392918 665376363 /nfs/dbraw/zinc/37/63/63/665376363.db2.gz YQYFRLHUIVORSF-IUCAKERBSA-N -1 0 324.341 -0.959 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CCC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001027397288 665378097 /nfs/dbraw/zinc/37/80/97/665378097.db2.gz WACTUIURJLYSNR-ZYHUDNBSSA-N -1 0 311.386 -0.050 20 0 DBADRM CN(Cc1nc(=O)n(C)[nH]1)[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001027407808 665382044 /nfs/dbraw/zinc/38/20/44/665382044.db2.gz YMNAEAYYFGVQMA-SNVBAGLBSA-N -1 0 319.369 -0.432 20 0 DBADRM C[C@H]1CO[C@H](C(=O)N(CCN2CCOCC2)CC(=O)[O-])C1 ZINC000911366022 674714436 /nfs/dbraw/zinc/71/44/36/674714436.db2.gz REGFSZZMKVAWBS-NEPJUHHUSA-N -1 0 300.355 -0.343 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)c2cc(C(=O)[O-])nn2C)CC1 ZINC000911594430 674741080 /nfs/dbraw/zinc/74/10/80/674741080.db2.gz OMNMGPWIMBDCCG-UHFFFAOYSA-N -1 0 318.337 -0.186 20 0 DBADRM COc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)ncn1 ZINC000911586161 674741299 /nfs/dbraw/zinc/74/12/99/674741299.db2.gz RTJYNSARPUUXES-ZJUUUORDSA-N -1 0 306.322 -0.146 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC000911638704 674742605 /nfs/dbraw/zinc/74/26/05/674742605.db2.gz OYTMWFWNPCOSCB-KKZNHRDASA-N -1 0 316.379 -0.266 20 0 DBADRM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC000911741306 674746671 /nfs/dbraw/zinc/74/66/71/674746671.db2.gz IQZBTTWDKCOMDR-AEJSXWLSSA-N -1 0 304.368 -0.411 20 0 DBADRM C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)c1cnc([O-])n(C)c1=O ZINC000912013020 674754740 /nfs/dbraw/zinc/75/47/40/674754740.db2.gz LRQOLXYXVMKBTO-HRDYMLBCSA-N -1 0 308.338 -0.434 20 0 DBADRM O=C(c1ccc2n[nH]c(=S)n2c1)N1[C@H](CO)CC[C@H]1CO ZINC000912227982 674760120 /nfs/dbraw/zinc/76/01/20/674760120.db2.gz DNUCHWVEUZHRJV-UWVGGRQHSA-N -1 0 308.363 -0.024 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000912562548 674776120 /nfs/dbraw/zinc/77/61/20/674776120.db2.gz HTTNTBVYVUJUGH-SSDOTTSWSA-N -1 0 305.312 -0.416 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NCCC[C@@H](C)C(=O)[O-] ZINC000912558865 674777268 /nfs/dbraw/zinc/77/72/68/674777268.db2.gz QRAJCIAPBYMZON-SSDOTTSWSA-N -1 0 319.339 -0.025 20 0 DBADRM CCn1ccc(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)n1 ZINC000991429608 674791317 /nfs/dbraw/zinc/79/13/17/674791317.db2.gz PCHZEUYUAVIGJN-UHFFFAOYSA-N -1 0 318.337 -0.105 20 0 DBADRM CCn1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001038126266 674792249 /nfs/dbraw/zinc/79/22/49/674792249.db2.gz JYMJFWACLBIYMS-SNVBAGLBSA-N -1 0 305.342 -0.269 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803002454 674798268 /nfs/dbraw/zinc/79/82/68/674798268.db2.gz YGGSIIFBZXUIPV-NXEZZACHSA-N -1 0 306.384 -0.226 20 0 DBADRM C/C(=C\C(=O)N1CCOC[C@@H]1c1nnn[n-]1)CN1CCOCC1 ZINC000913499353 674801428 /nfs/dbraw/zinc/80/14/28/674801428.db2.gz NXNMLROEGPIQSB-JATZPVMKSA-N -1 0 322.369 -0.622 20 0 DBADRM Nc1nc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)nc2ccccc12 ZINC000572713856 674816795 /nfs/dbraw/zinc/81/67/95/674816795.db2.gz JCRXNCVMFIYQPL-SNVBAGLBSA-N -1 0 322.346 -0.100 20 0 DBADRM CNC(=O)N[N-]S(=O)(=O)c1cc(NC(C)=O)ccc1OC ZINC000057124783 674823605 /nfs/dbraw/zinc/82/36/05/674823605.db2.gz ZXAGYIBYNQSYET-UHFFFAOYSA-N -1 0 316.339 -0.224 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)C2CC=CC2)C[C@H]1O)c1cn[nH]n1 ZINC000991604852 674843192 /nfs/dbraw/zinc/84/31/92/674843192.db2.gz UHMGBPNXZYBVKJ-ZYHUDNBSSA-N -1 0 305.338 -0.538 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN([C@@H](C)C(=O)NC3CC3)C2)c1[O-] ZINC001030227338 674847556 /nfs/dbraw/zinc/84/75/56/674847556.db2.gz XEZAMWRBKNAHPY-QMMMGPOBSA-N -1 0 307.354 -0.495 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN([C@H](C)C(=O)NC3CC3)C2)c1[O-] ZINC001030227337 674847622 /nfs/dbraw/zinc/84/76/22/674847622.db2.gz XEZAMWRBKNAHPY-MRVPVSSYSA-N -1 0 307.354 -0.495 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@H](O)C1 ZINC000991612590 674846989 /nfs/dbraw/zinc/84/69/89/674846989.db2.gz LKJIFJNIWBTSLH-WCBMZHEXSA-N -1 0 320.305 -0.360 20 0 DBADRM Cc1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)ns1 ZINC001030252158 674852259 /nfs/dbraw/zinc/85/22/59/674852259.db2.gz RETXUUOCRXTADP-UHFFFAOYSA-N -1 0 308.367 -0.512 20 0 DBADRM C/C=C(/C)C(=O)N1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000991664145 674861288 /nfs/dbraw/zinc/86/12/88/674861288.db2.gz DXJGHCIQFLFMHS-OQFOIZHKSA-N -1 0 315.333 -0.071 20 0 DBADRM CCCC(=O)N1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000991667689 674862351 /nfs/dbraw/zinc/86/23/51/674862351.db2.gz RSDCJSFTVMEAFQ-UHFFFAOYSA-N -1 0 303.322 -0.237 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@@H](CC)C(=O)[O-] ZINC000226933998 674872847 /nfs/dbraw/zinc/87/28/47/674872847.db2.gz SHUPNPGMKQFDQK-ZJUUUORDSA-N -1 0 322.383 -0.041 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cn2c(n1)CCCC2 ZINC001030388254 674875600 /nfs/dbraw/zinc/87/56/00/674875600.db2.gz LKZGXUFJQLZUQA-UHFFFAOYSA-N -1 0 317.353 -0.343 20 0 DBADRM Cc1[nH]nc(Cl)c1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030416620 674885409 /nfs/dbraw/zinc/88/54/09/674885409.db2.gz PPBPVMUQULKFBJ-UHFFFAOYSA-N -1 0 311.733 -0.191 20 0 DBADRM COCc1cncc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001030462269 674892765 /nfs/dbraw/zinc/89/27/65/674892765.db2.gz OMFMRXSHWBRPRW-UHFFFAOYSA-N -1 0 318.337 -0.334 20 0 DBADRM Cn1ncc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1Cl ZINC001030533206 674901524 /nfs/dbraw/zinc/90/15/24/674901524.db2.gz HCVYLUZUZLAZOO-UHFFFAOYSA-N -1 0 311.733 -0.489 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)[C@H]1CCNC(=O)CC1 ZINC001038563389 674902654 /nfs/dbraw/zinc/90/26/54/674902654.db2.gz OTPGWKBDCTUANS-NXEZZACHSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCc2cncn2C1 ZINC001030554987 674904222 /nfs/dbraw/zinc/90/42/22/674904222.db2.gz RDJIJXYJBDKHIP-SECBINFHSA-N -1 0 317.353 -0.730 20 0 DBADRM C[C@H](C(=O)NC1CCCC1)N1CC(NC(=O)c2cn[nH]n2)C1 ZINC001030600058 674910789 /nfs/dbraw/zinc/91/07/89/674910789.db2.gz RRRAZPZOQSHXLQ-SECBINFHSA-N -1 0 306.370 -0.334 20 0 DBADRM CCO[C@H](C)c1noc(CN2CC(NC(=O)c3cn[nH]n3)C2)n1 ZINC001030601707 674910980 /nfs/dbraw/zinc/91/09/80/674910980.db2.gz XKOSJPUXPGKTJG-MRVPVSSYSA-N -1 0 321.341 -0.101 20 0 DBADRM Cc1nc(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)cs1 ZINC001030615730 674912780 /nfs/dbraw/zinc/91/27/80/674912780.db2.gz VRFSDFDQQNTIHL-UHFFFAOYSA-N -1 0 322.350 -0.338 20 0 DBADRM O=C(NC1CN(CCOC2CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030616832 674913113 /nfs/dbraw/zinc/91/31/13/674913113.db2.gz LOCIGYCQEZALRZ-UHFFFAOYSA-N -1 0 309.326 -0.734 20 0 DBADRM Cc1ncsc1CN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030617019 674913278 /nfs/dbraw/zinc/91/32/78/674913278.db2.gz SSQMQAYLLHGSAM-UHFFFAOYSA-N -1 0 322.350 -0.338 20 0 DBADRM Cc1cc(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)no1 ZINC001030618622 674913778 /nfs/dbraw/zinc/91/37/78/674913778.db2.gz OMVBJPXKGPWGMR-UHFFFAOYSA-N -1 0 306.282 -0.807 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000231019566 674920455 /nfs/dbraw/zinc/92/04/55/674920455.db2.gz YQTMTKHRCJLPHW-SNVBAGLBSA-N -1 0 323.415 -0.028 20 0 DBADRM CCN(CC(=O)NC)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000035247036 674931848 /nfs/dbraw/zinc/93/18/48/674931848.db2.gz LBDXRXTTYHPJSC-UHFFFAOYSA-N -1 0 316.335 -0.153 20 0 DBADRM COc1cc(C(=O)NCC2CC(NC(=O)c3cn[nH]n3)C2)on1 ZINC000992053124 674937346 /nfs/dbraw/zinc/93/73/46/674937346.db2.gz DOXXWSYRQFVIIN-UHFFFAOYSA-N -1 0 320.309 -0.260 20 0 DBADRM Cc1nonc1C(=O)NCC1CC(NC(=O)c2cn[nH]n2)C1 ZINC000992206612 674972013 /nfs/dbraw/zinc/97/20/13/674972013.db2.gz GWDMTJBOLMYXGJ-UHFFFAOYSA-N -1 0 305.298 -0.565 20 0 DBADRM Cc1cc(C2(C(=O)NC3CN(Cc4n[nH]c(=O)[n-]4)C3)CC2)on1 ZINC001030836482 674973868 /nfs/dbraw/zinc/97/38/68/674973868.db2.gz PZNFDFKTSJILND-UHFFFAOYSA-N -1 0 318.337 -0.161 20 0 DBADRM O=C(Cc1ncccc1F)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030846156 674977539 /nfs/dbraw/zinc/97/75/39/674977539.db2.gz ASIWPFUIQIXHAK-UHFFFAOYSA-N -1 0 306.301 -0.413 20 0 DBADRM O=C(NCC1CC(NC(=O)C(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC000992248882 674978412 /nfs/dbraw/zinc/97/84/12/674978412.db2.gz BMCGYANUWDIKAV-UHFFFAOYSA-N -1 0 317.252 -0.828 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCC1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000992305030 674988939 /nfs/dbraw/zinc/98/89/39/674988939.db2.gz RPGLPACJVPZDNB-NFTFJBJSSA-N -1 0 323.353 -0.644 20 0 DBADRM O=C(N[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)c1nnc[nH]1 ZINC000992326186 674991828 /nfs/dbraw/zinc/99/18/28/674991828.db2.gz DXMNWBRVAHMILB-OQPBUACISA-N -1 0 318.341 -0.445 20 0 DBADRM O=C(N[C@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)c1nnc[nH]1 ZINC000992326189 674992219 /nfs/dbraw/zinc/99/22/19/674992219.db2.gz DXMNWBRVAHMILB-SDBXPKJASA-N -1 0 318.341 -0.445 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000759171279 674993553 /nfs/dbraw/zinc/99/35/53/674993553.db2.gz AJYJCBBGPRUPIK-UHFFFAOYSA-N -1 0 320.392 -0.034 20 0 DBADRM CC(=O)N1CCC(N(C)C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000954128376 674996627 /nfs/dbraw/zinc/99/66/27/674996627.db2.gz AATYKRPJYBOPBH-UHFFFAOYSA-N -1 0 308.338 -0.431 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)N1CCC(c2nnn[n-]2)CC1 ZINC000913745468 675001931 /nfs/dbraw/zinc/00/19/31/675001931.db2.gz GIDBPYRIOQXVJB-UHFFFAOYSA-N -1 0 319.369 -0.194 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCc1ccc2c(c1)OCCO2 ZINC000913864066 675007689 /nfs/dbraw/zinc/00/76/89/675007689.db2.gz MWBQQWXGADMLBW-UHFFFAOYSA-N -1 0 309.322 -0.023 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(Cc3nncn3C)C2)c1[O-] ZINC001007122232 675024818 /nfs/dbraw/zinc/02/48/18/675024818.db2.gz QTTRPVYUSMVSSL-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(Cc3ncnn3C)C2)c1[O-] ZINC001007122685 675024915 /nfs/dbraw/zinc/02/49/15/675024915.db2.gz RYLRQFDAHPOEQT-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM CNC(=O)CN1CC(NC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC001031035482 675027255 /nfs/dbraw/zinc/02/72/55/675027255.db2.gz SQNTWANANUYSGW-UHFFFAOYSA-N -1 0 315.333 -0.505 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCCN(C)CC(F)(F)F ZINC000914175876 675027338 /nfs/dbraw/zinc/02/73/38/675027338.db2.gz PFPBNLSTEVSABS-UHFFFAOYSA-N -1 0 300.281 -0.153 20 0 DBADRM COc1cc(F)c(S(=O)(=O)NCCn2ncnn2)cc1F ZINC000914250255 675028764 /nfs/dbraw/zinc/02/87/64/675028764.db2.gz YUWJVJJKGVEUQQ-UHFFFAOYSA-N -1 0 319.293 -0.062 20 0 DBADRM COCCN(CC(F)F)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730541174 675039230 /nfs/dbraw/zinc/03/92/30/675039230.db2.gz LJPFGMKLGWIZBB-UHFFFAOYSA-N -1 0 315.280 -0.189 20 0 DBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H]1CCCCNC1=O ZINC000730545197 675039270 /nfs/dbraw/zinc/03/92/70/675039270.db2.gz SEBGDYUGHMXHAL-JTQLQIEISA-N -1 0 318.337 -0.802 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730526852 675036627 /nfs/dbraw/zinc/03/66/27/675036627.db2.gz MDGRHUFNISNEDN-SECBINFHSA-N -1 0 301.310 -0.527 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(CC(=O)N(C)C)C2)c1[O-] ZINC001007134510 675037879 /nfs/dbraw/zinc/03/78/79/675037879.db2.gz NGCGHSWWPDKEGL-JTQLQIEISA-N -1 0 309.370 -0.294 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@H](O)c1ccccc1 ZINC000730584869 675040636 /nfs/dbraw/zinc/04/06/36/675040636.db2.gz GEFPHKFBBKWGNY-LBPRGKRZSA-N -1 0 313.317 -0.079 20 0 DBADRM CC[C@@H](F)CN1CC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001031116698 675041108 /nfs/dbraw/zinc/04/11/08/675041108.db2.gz VGBMPUKZTUITCT-SECBINFHSA-N -1 0 322.344 -0.380 20 0 DBADRM CC(C)(C)NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730656134 675045693 /nfs/dbraw/zinc/04/56/93/675045693.db2.gz BSSZRJURPKTPQZ-UHFFFAOYSA-N -1 0 307.310 -0.471 20 0 DBADRM CCCCNC(=O)[C@@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730660130 675045881 /nfs/dbraw/zinc/04/58/81/675045881.db2.gz ZTVOEEVMSHOMCX-SECBINFHSA-N -1 0 321.337 -0.081 20 0 DBADRM C[C@H](NC(=O)COc1nsnc1N1CCOCC1)C(=O)[O-] ZINC000914685742 675052726 /nfs/dbraw/zinc/05/27/26/675052726.db2.gz PQDUZXBFSOXYFI-ZETCQYMHSA-N -1 0 316.339 -0.657 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cn(CC2CC2)nn1 ZINC001031162010 675053443 /nfs/dbraw/zinc/05/34/43/675053443.db2.gz KJTTVFONUDNBQG-UHFFFAOYSA-N -1 0 318.341 -0.874 20 0 DBADRM COC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000730918315 675056288 /nfs/dbraw/zinc/05/62/88/675056288.db2.gz AKDGFCWMGVVDGV-UHFFFAOYSA-N -1 0 303.340 -0.646 20 0 DBADRM C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)OC(C)(C)C ZINC000731009857 675056556 /nfs/dbraw/zinc/05/65/56/675056556.db2.gz LRPSISASWPLTDA-QMMMGPOBSA-N -1 0 321.337 -0.082 20 0 DBADRM CCN1CC[C@@H](N2CC[C@H]2CNC(=O)c2[nH]nc(C)c2[O-])C1=O ZINC001038164870 670513322 /nfs/dbraw/zinc/51/33/22/670513322.db2.gz NRDYALAFONHRJY-WDEREUQCSA-N -1 0 321.381 -0.151 20 0 DBADRM CCN1CC[C@H](N2CC[C@@H]2CNC(=O)c2[nH]nc(C)c2[O-])C1=O ZINC001038164867 670513631 /nfs/dbraw/zinc/51/36/31/670513631.db2.gz NRDYALAFONHRJY-MNOVXSKESA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2[C@H](C)c2nnnn2C)c1[O-] ZINC001038165271 670568048 /nfs/dbraw/zinc/56/80/48/670568048.db2.gz OZMHEASIXSUVFR-RKDXNWHRSA-N -1 0 320.357 -0.487 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000937072771 670717511 /nfs/dbraw/zinc/71/75/11/670717511.db2.gz DHZWEYSZIGAJNU-VGANXODHSA-N -1 0 321.337 -0.078 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000937072769 670717988 /nfs/dbraw/zinc/71/79/88/670717988.db2.gz DHZWEYSZIGAJNU-SGDMMICCSA-N -1 0 321.337 -0.078 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnccn1 ZINC001028382870 670720663 /nfs/dbraw/zinc/72/06/63/670720663.db2.gz YRJHWQVMPIMCOB-VIFPVBQESA-N -1 0 303.326 -0.448 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1=COCCO1 ZINC001028392938 670728129 /nfs/dbraw/zinc/72/81/29/670728129.db2.gz WCVVTSRBWHYCFQ-VIFPVBQESA-N -1 0 309.326 -0.663 20 0 DBADRM Cc1ncncc1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028424421 670743757 /nfs/dbraw/zinc/74/37/57/670743757.db2.gz WQWLADUWGMFYIV-SNVBAGLBSA-N -1 0 317.353 -0.139 20 0 DBADRM Cn1nccc1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028438309 670759758 /nfs/dbraw/zinc/75/97/58/670759758.db2.gz KRISZSZIEGPILU-VIFPVBQESA-N -1 0 305.342 -0.504 20 0 DBADRM COc1cc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001028492500 670809652 /nfs/dbraw/zinc/80/96/52/670809652.db2.gz RGTWOTOODCZSOS-QMMMGPOBSA-N -1 0 322.325 -0.241 20 0 DBADRM CCn1ncc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001028523281 670831499 /nfs/dbraw/zinc/83/14/99/670831499.db2.gz AKWYXJYDRBOURH-SECBINFHSA-N -1 0 320.357 -0.626 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982627285 670831798 /nfs/dbraw/zinc/83/17/98/670831798.db2.gz WEKKCIKLZIEZNX-PTDYZRSTSA-N -1 0 321.337 -0.173 20 0 DBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)cn1 ZINC000726327376 670869751 /nfs/dbraw/zinc/86/97/51/670869751.db2.gz NKLVBVIDECMHCR-UHFFFAOYSA-N -1 0 317.758 -0.145 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)o1 ZINC000747233123 670870952 /nfs/dbraw/zinc/87/09/52/670870952.db2.gz MZLJLADOPAXKJT-UHFFFAOYSA-N -1 0 318.307 -0.609 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCC(=O)N1 ZINC001028616289 670886986 /nfs/dbraw/zinc/88/69/86/670886986.db2.gz NSNYXSQGIGRPKL-VHSXEESVSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@@]1(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)CCOC1 ZINC000982872454 670891951 /nfs/dbraw/zinc/89/19/51/670891951.db2.gz VGRXFDBONXGVQS-CQSZACIVSA-N -1 0 309.370 -0.029 20 0 DBADRM CCn1cc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC000983049121 670933088 /nfs/dbraw/zinc/93/30/88/670933088.db2.gz JTTOWRJMIYGYFF-UHFFFAOYSA-N -1 0 320.357 -0.530 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3cnon3)C2)c1[O-] ZINC000983166097 670974377 /nfs/dbraw/zinc/97/43/77/670974377.db2.gz DUGAXVOUQLCCMR-MRVPVSSYSA-N -1 0 320.309 -0.301 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001028751921 671024751 /nfs/dbraw/zinc/02/47/51/671024751.db2.gz DPQDBNLOKZQDQX-SVDPJWKOSA-N -1 0 307.354 -0.659 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028752917 671024975 /nfs/dbraw/zinc/02/49/75/671024975.db2.gz LYIHIIBABRGKQT-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C1CC1 ZINC001012134072 671038060 /nfs/dbraw/zinc/03/80/60/671038060.db2.gz LDEUCVNDZXJSAD-HTRCEHHLSA-N -1 0 307.310 -0.588 20 0 DBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1cncc(O)c1 ZINC000732393452 677357356 /nfs/dbraw/zinc/35/73/56/677357356.db2.gz RJFPEBNQDDJNPN-NSHDSACASA-N -1 0 307.306 -0.190 20 0 DBADRM CCC(=O)N[C@H]1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000983372449 671095630 /nfs/dbraw/zinc/09/56/30/671095630.db2.gz AORZPACMLMELGW-DTWKUNHWSA-N -1 0 311.342 -0.357 20 0 DBADRM CCn1cnc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001028934178 671111492 /nfs/dbraw/zinc/11/14/92/671111492.db2.gz YHGWJALNPPICFF-JTQLQIEISA-N -1 0 319.369 -0.021 20 0 DBADRM Cc1nccc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001028992045 671142607 /nfs/dbraw/zinc/14/26/07/671142607.db2.gz AWLVHGWCVJVPRK-SNVBAGLBSA-N -1 0 317.353 -0.139 20 0 DBADRM Cc1nonc1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001029017316 671160140 /nfs/dbraw/zinc/16/01/40/671160140.db2.gz BLJBIRFRGJTLEN-MRVPVSSYSA-N -1 0 307.314 -0.546 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)N[C@H]1C[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC000983476633 671162436 /nfs/dbraw/zinc/16/24/36/671162436.db2.gz SENXSLFUHFNGQS-OPRDCNLKSA-N -1 0 323.353 -0.552 20 0 DBADRM CS(=O)(=O)N1CC[C@H](N=c2nn[n-]n2Cc2ccccc2)C1 ZINC000894387548 671177240 /nfs/dbraw/zinc/17/72/40/671177240.db2.gz PDTUZXKFNWJKSP-LBPRGKRZSA-N -1 0 322.394 -0.411 20 0 DBADRM Cn1nccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029234878 671284010 /nfs/dbraw/zinc/28/40/10/671284010.db2.gz XFSARNSUAQORDH-AOOOYVTPSA-N -1 0 317.353 -0.267 20 0 DBADRM CC[C@@H](CO)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000909434966 671288663 /nfs/dbraw/zinc/28/86/63/671288663.db2.gz WQNTXSKVINOYFE-QWRGUYRKSA-N -1 0 300.355 -0.214 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000262106083 671291179 /nfs/dbraw/zinc/29/11/79/671291179.db2.gz DECNETBLVURDGC-NSHDSACASA-N -1 0 313.354 -0.515 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@H]2CCNC2=O)c1[O-] ZINC001029272714 671293554 /nfs/dbraw/zinc/29/35/54/671293554.db2.gz CADZXRJKESHIQZ-AXFHLTTASA-N -1 0 319.365 -0.399 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000732523809 677364133 /nfs/dbraw/zinc/36/41/33/677364133.db2.gz YDYUGSWETGYCOF-KCJUWKMLSA-N -1 0 322.408 -0.467 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@@H](C(C)C)N1CCCS1(=O)=O ZINC000262128471 671308256 /nfs/dbraw/zinc/30/82/56/671308256.db2.gz KNBKFIZKMDXRIH-LLVKDONJSA-N -1 0 306.384 -0.020 20 0 DBADRM O=C(CC1(O)CCC1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029301508 671308458 /nfs/dbraw/zinc/30/84/58/671308458.db2.gz SWHZLFIYSDSXRG-PHIMTYICSA-N -1 0 321.381 -0.009 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1n[nH]c2c1CCC2 ZINC001038442027 671312297 /nfs/dbraw/zinc/31/22/97/671312297.db2.gz IFEPJGPVDIALDQ-MRVPVSSYSA-N -1 0 317.353 -0.274 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1ccnn1C ZINC000262150925 671321085 /nfs/dbraw/zinc/32/10/85/671321085.db2.gz JOHYYOCSXCJTJV-JTQLQIEISA-N -1 0 308.338 -0.185 20 0 DBADRM CC(C)C(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001012317843 671323631 /nfs/dbraw/zinc/32/36/31/671323631.db2.gz AHBIVQIVIJLFFD-ZJUUUORDSA-N -1 0 322.365 -0.139 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)NC[C@@H](C)CC(=O)[O-] ZINC000262165036 671327315 /nfs/dbraw/zinc/32/73/15/671327315.db2.gz NXOQIKAJWZRCBK-VIFPVBQESA-N -1 0 310.372 -0.831 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)CCSCC(=O)OC ZINC000732511302 677362547 /nfs/dbraw/zinc/36/25/47/677362547.db2.gz ZJCMAZHTXHLXEV-UHFFFAOYSA-N -1 0 313.397 -0.235 20 0 DBADRM CC[C@@H]1[C@@H](NC(C)=O)CCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC000984376803 671345753 /nfs/dbraw/zinc/34/57/53/671345753.db2.gz GLJNJPGWEFNNIE-GXSJLCMTSA-N -1 0 323.353 -0.269 20 0 DBADRM COCCn1c(=O)cc([O-])nc1SC[C@H]1CNC(=O)O1 ZINC000727479199 671349666 /nfs/dbraw/zinc/34/96/66/671349666.db2.gz CILGLSZSIAWAJQ-SSDOTTSWSA-N -1 0 301.324 -0.204 20 0 DBADRM CCC(=O)N(C)[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000984429210 671349915 /nfs/dbraw/zinc/34/99/15/671349915.db2.gz KJBIGTCNRXPVEB-QMMMGPOBSA-N -1 0 309.326 -0.244 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@@H](c2ccnn2C)C1 ZINC000895570843 671358868 /nfs/dbraw/zinc/35/88/68/671358868.db2.gz RABJMBJTSUJIIE-LLVKDONJSA-N -1 0 311.342 -0.429 20 0 DBADRM CCCC[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-] ZINC000262244990 671368378 /nfs/dbraw/zinc/36/83/78/671368378.db2.gz CBAPQDOSIQKMDA-VIFPVBQESA-N -1 0 311.342 -0.261 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ncccn2)cc1C(N)=O ZINC000750800696 671436111 /nfs/dbraw/zinc/43/61/11/671436111.db2.gz HBZGRXWBIOTIJS-UHFFFAOYSA-N -1 0 309.307 -0.967 20 0 DBADRM O=C(c1cccnn1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029524311 671442272 /nfs/dbraw/zinc/44/22/72/671442272.db2.gz UBXWQNFSSFBLNK-AOOOYVTPSA-N -1 0 315.337 -0.211 20 0 DBADRM CC[C@@H](CN1CCOCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC000928642576 671448509 /nfs/dbraw/zinc/44/85/09/671448509.db2.gz OYTBPRSEKNGDSJ-JTQLQIEISA-N -1 0 310.354 -0.674 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@]1(O)CCSC1 ZINC000866907385 671452761 /nfs/dbraw/zinc/45/27/61/671452761.db2.gz COXMGOKNXBIIDQ-ZKANADHPSA-N -1 0 302.443 -0.194 20 0 DBADRM CCCC(=O)N1CCC[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])C1 ZINC000262437164 671454325 /nfs/dbraw/zinc/45/43/25/671454325.db2.gz UBQPWVJTIQPCFB-YGRLFVJLSA-N -1 0 300.355 -0.023 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N(CC(=O)[O-])C(C)C ZINC000262455977 671456429 /nfs/dbraw/zinc/45/64/29/671456429.db2.gz ROTGFAGGCCEQNH-UHFFFAOYSA-N -1 0 312.388 -0.379 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000728519588 671458761 /nfs/dbraw/zinc/45/87/61/671458761.db2.gz LWVHBUJIZASSJM-AAEUAGOBSA-N -1 0 313.354 -0.312 20 0 DBADRM CCCC(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262472728 671458861 /nfs/dbraw/zinc/45/88/61/671458861.db2.gz ZHIKZSJESZXYFS-UFBFGSQYSA-N -1 0 304.368 -0.360 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)COCc1nnc(C)s1 ZINC000797022447 671463126 /nfs/dbraw/zinc/46/31/26/671463126.db2.gz QULDDYQRNPQCEW-ZETCQYMHSA-N -1 0 323.396 -0.156 20 0 DBADRM C[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000262488957 671464056 /nfs/dbraw/zinc/46/40/56/671464056.db2.gz IWZWRVPFAXUUBA-OTYXRUKQSA-N -1 0 319.321 -0.147 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)N(C)CC)CCOCC1 ZINC000797069275 671464660 /nfs/dbraw/zinc/46/46/60/671464660.db2.gz FALZOHNCWGCLJI-UHFFFAOYSA-N -1 0 322.383 -0.341 20 0 DBADRM C[C@@](O)(CNC(=O)c1cccnc1N1CCOCC1)C(=O)[O-] ZINC000262495839 671466238 /nfs/dbraw/zinc/46/62/38/671466238.db2.gz JZUNYZLABZNAQJ-CQSZACIVSA-N -1 0 309.322 -0.516 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1cscn1)c1n[nH]c(=O)[n-]c1=O ZINC001038460375 671468280 /nfs/dbraw/zinc/46/82/80/671468280.db2.gz VEEXXLJNMWEPRF-QMMMGPOBSA-N -1 0 322.350 -0.256 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000262502406 671470583 /nfs/dbraw/zinc/47/05/83/671470583.db2.gz KTTCZVNUSFYTCJ-CQSZACIVSA-N -1 0 321.289 -0.946 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000937580006 671490933 /nfs/dbraw/zinc/49/09/33/671490933.db2.gz JXAZNKALCQDUKA-VIFPVBQESA-N -1 0 303.322 -0.237 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCOC[C@H]1CCCO1 ZINC000797303455 671498661 /nfs/dbraw/zinc/49/86/61/671498661.db2.gz XPRNWBYBVKLSKK-NXEZZACHSA-N -1 0 323.367 -0.420 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)on1 ZINC000797300016 671498864 /nfs/dbraw/zinc/49/88/64/671498864.db2.gz AAYJFVDQVPQCEH-RXMQYKEDSA-N -1 0 320.279 -0.918 20 0 DBADRM CN(C)C(=O)COc1ccccc1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262545748 671499818 /nfs/dbraw/zinc/49/98/18/671499818.db2.gz RYHGOVPKKPPXQV-OAHLLOKOSA-N -1 0 324.333 -0.281 20 0 DBADRM CCn1c2ccccc2n(CC(=O)NC[C@](C)(O)C(=O)[O-])c1=O ZINC000262565626 671507049 /nfs/dbraw/zinc/50/70/49/671507049.db2.gz XUBGWYQCGQNHSM-HNNXBMFYSA-N -1 0 321.333 -0.225 20 0 DBADRM CCC(=O)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC[C@@H]2C1 ZINC000985584895 671510705 /nfs/dbraw/zinc/51/07/05/671510705.db2.gz HCYTWXFDVFSTJI-ZJUUUORDSA-N -1 0 323.353 -0.594 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1csnn1)c1n[nH]c(=O)[n-]c1=O ZINC001038467016 671526098 /nfs/dbraw/zinc/52/60/98/671526098.db2.gz WSVTTYPMKGBKHS-SSDOTTSWSA-N -1 0 323.338 -0.861 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000347513735 671568084 /nfs/dbraw/zinc/56/80/84/671568084.db2.gz HQWBFJKMTDUUOC-QNSHHTMESA-N -1 0 302.352 -0.392 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NCc3nnnn3C)[C@@H]2C)c1[O-] ZINC000986161388 671568625 /nfs/dbraw/zinc/56/86/25/671568625.db2.gz PUMYCJKADKEJMS-DTWKUNHWSA-N -1 0 320.357 -0.660 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)[C@@H]1CCCOC1 ZINC000262755723 671571797 /nfs/dbraw/zinc/57/17/97/671571797.db2.gz KIEULPVGORCWEA-GMTAPVOTSA-N -1 0 319.379 -0.050 20 0 DBADRM O=C(CN1CCCS1(=O)=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000262772796 671579170 /nfs/dbraw/zinc/57/91/70/671579170.db2.gz LMKJDSGRNLNDHR-KOLCDFICSA-N -1 0 320.367 -0.982 20 0 DBADRM CN(CC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC000262805896 671588132 /nfs/dbraw/zinc/58/81/32/671588132.db2.gz ASLURJIQMOEHSX-IQJOONFLSA-N -1 0 304.368 -0.411 20 0 DBADRM C[C@H]1[C@@H](NCc2cn(C)nn2)CCN1C(=O)c1cnc[nH]c1=O ZINC000986409775 671591132 /nfs/dbraw/zinc/59/11/32/671591132.db2.gz VDESZDPZNDJBRF-CABZTGNLSA-N -1 0 317.353 -0.297 20 0 DBADRM CO[N-]C(=O)CN1C(=O)N[C@@H](c2ccc3c(c2)CCO3)C1=O ZINC000925259989 671597540 /nfs/dbraw/zinc/59/75/40/671597540.db2.gz YXXUILIDPXBYEE-LBPRGKRZSA-N -1 0 305.290 -0.108 20 0 DBADRM O=C(Cc1cscn1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000951219007 671607962 /nfs/dbraw/zinc/60/79/62/671607962.db2.gz OILIQYGTZLZPFQ-UHFFFAOYSA-N -1 0 308.367 -0.146 20 0 DBADRM C[C@@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cc1cnoc1 ZINC000986688921 671614063 /nfs/dbraw/zinc/61/40/63/671614063.db2.gz FEFNYLHVBZCEEY-MWLCHTKSSA-N -1 0 320.353 -0.582 20 0 DBADRM CC(C)C[C@H](CNC(=O)NC[C@H]1CC(C(N)=O)=NO1)C(=O)[O-] ZINC000263046487 671621735 /nfs/dbraw/zinc/62/17/35/671621735.db2.gz JXBCTUOCSCZYHP-RKDXNWHRSA-N -1 0 314.342 -0.337 20 0 DBADRM C[C@@H](CN(C)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)[O-] ZINC000263051387 671624129 /nfs/dbraw/zinc/62/41/29/671624129.db2.gz AABDQOBMMXVEOM-RTHLEPHNSA-N -1 0 311.338 -0.114 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000729067887 671628843 /nfs/dbraw/zinc/62/88/43/671628843.db2.gz SQJNHUDFDLMVCO-UWVGGRQHSA-N -1 0 317.367 -0.191 20 0 DBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)C)CC1=O ZINC000729095943 671633593 /nfs/dbraw/zinc/63/35/93/671633593.db2.gz WRUBRKKIHOCCQJ-JTQLQIEISA-N -1 0 306.384 -0.417 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)NCCCC(=O)[O-] ZINC000263103279 671633655 /nfs/dbraw/zinc/63/36/55/671633655.db2.gz WOZRLBLJHIUIID-UHFFFAOYSA-N -1 0 309.388 -0.178 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263099023 671633940 /nfs/dbraw/zinc/63/39/40/671633940.db2.gz AWBZCNQASXQBFN-ZJUUUORDSA-N -1 0 321.399 -0.322 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C2CC2)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000987171800 671652488 /nfs/dbraw/zinc/65/24/88/671652488.db2.gz MYTKXGVXXPEJIO-KCJUWKMLSA-N -1 0 320.349 -0.385 20 0 DBADRM COC[C@](C)([N-]S(=O)(=O)CCn1cccn1)C(=O)OC ZINC000866949963 671659464 /nfs/dbraw/zinc/65/94/64/671659464.db2.gz WSTUBXPFPQILMR-NSHDSACASA-N -1 0 305.356 -0.619 20 0 DBADRM C[C@@H]1[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CCN1C(=O)Cc1ncc[nH]1 ZINC000987261137 671665661 /nfs/dbraw/zinc/66/56/61/671665661.db2.gz PNGSTALKZIRSCR-BDAKNGLRSA-N -1 0 305.342 -0.445 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263243515 671667785 /nfs/dbraw/zinc/66/77/85/671667785.db2.gz RYDMXNMXAIRJIT-OPRDCNLKSA-N -1 0 306.384 -0.165 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000263300838 671680320 /nfs/dbraw/zinc/68/03/20/671680320.db2.gz GOULRIHOATYDJV-MNOVXSKESA-N -1 0 313.354 -0.403 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC000263299702 671680778 /nfs/dbraw/zinc/68/07/78/671680778.db2.gz GKRTVWRKKBOBRB-BDAKNGLRSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@H]1[C@@H](NCc2ccon2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987419204 671685566 /nfs/dbraw/zinc/68/55/66/671685566.db2.gz CEIXVGYNKFNEDB-WPRPVWTQSA-N -1 0 322.325 -0.544 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000263432359 671699702 /nfs/dbraw/zinc/69/97/02/671699702.db2.gz NSLMILFBWCKLQO-XVKPBYJWSA-N -1 0 315.351 -0.042 20 0 DBADRM CC(=O)N1CC[C@H](CN(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000987630653 671704203 /nfs/dbraw/zinc/70/42/03/671704203.db2.gz NGEMMOUCTASYKQ-SNVBAGLBSA-N -1 0 308.338 -0.574 20 0 DBADRM CN(C[C@H]1CCN(C(=O)C2CC2)C1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987642827 671704738 /nfs/dbraw/zinc/70/47/38/671704738.db2.gz NFNJAWHOMHHILN-MRVPVSSYSA-N -1 0 321.337 -0.387 20 0 DBADRM CCC(=O)N1CC[C@@H](CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000987622758 671706263 /nfs/dbraw/zinc/70/62/63/671706263.db2.gz SZXFQLUUVCRQCP-QMMMGPOBSA-N -1 0 309.326 -0.387 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1cccc2nonc21)C(=O)[O-] ZINC000263476504 671706902 /nfs/dbraw/zinc/70/69/02/671706902.db2.gz JKVZMEGSWUZDAK-JTQLQIEISA-N -1 0 301.280 -0.663 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1cc(Cl)cnc1N)C(=O)[O-] ZINC000263501401 671715233 /nfs/dbraw/zinc/71/52/33/671715233.db2.gz TUVZWUODZNZZPW-SECBINFHSA-N -1 0 309.731 -0.569 20 0 DBADRM C[C@H](CN(C)c1cc(N2CCN(C)C(=O)C2)ncn1)C(=O)[O-] ZINC000263544431 671725093 /nfs/dbraw/zinc/72/50/93/671725093.db2.gz FZPXFCHXVYTEJX-SNVBAGLBSA-N -1 0 307.354 -0.088 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000263567688 671729238 /nfs/dbraw/zinc/72/92/38/671729238.db2.gz XRBCWHHMGPIYEH-SECBINFHSA-N -1 0 300.336 -0.198 20 0 DBADRM CC(=O)N(C)C[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000988140168 671751146 /nfs/dbraw/zinc/75/11/46/671751146.db2.gz KIQMSZYLULDTIF-JTQLQIEISA-N -1 0 318.337 -0.642 20 0 DBADRM C[C@H]1C[C@H](NCc2nc(=O)n(C)[nH]2)CN1C(=O)C(=O)C(C)(C)C ZINC000988376775 671786206 /nfs/dbraw/zinc/78/62/06/671786206.db2.gz QTKMXYQPPVUPIZ-UWVGGRQHSA-N -1 0 323.397 -0.197 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCO3)C2)c1[O-] ZINC000937647456 671800522 /nfs/dbraw/zinc/80/05/22/671800522.db2.gz IHCUOCAPVNVJRX-VHSXEESVSA-N -1 0 308.338 -0.067 20 0 DBADRM CC(C)C(=O)N[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000937688606 671804450 /nfs/dbraw/zinc/80/44/50/671804450.db2.gz IKZQDIJAFXJVSM-VIFPVBQESA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C2(C)CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000988469399 671805842 /nfs/dbraw/zinc/80/58/42/671805842.db2.gz PXJOATPDHCUHDH-BDAKNGLRSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(=O)N(C)CC1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000988585742 671811723 /nfs/dbraw/zinc/81/17/23/671811723.db2.gz CXUZBDXNYGTNJZ-UHFFFAOYSA-N -1 0 322.365 -0.184 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C[C@@H]2C)c1[O-] ZINC000988636964 671814404 /nfs/dbraw/zinc/81/44/04/671814404.db2.gz SSYOEQCGXMSUDV-XPUUQOCRSA-N -1 0 321.341 -0.360 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)c1[O-] ZINC000937748034 671829444 /nfs/dbraw/zinc/82/94/44/671829444.db2.gz RAOCKTQKSSCURL-DTWKUNHWSA-N -1 0 321.337 -0.967 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000937791811 671837064 /nfs/dbraw/zinc/83/70/64/671837064.db2.gz IFBPMPLTNSXWHO-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)Cn3cccn3)C2)c1[O-] ZINC000937831833 671840163 /nfs/dbraw/zinc/84/01/63/671840163.db2.gz LAHPWAJEKQXEES-JTQLQIEISA-N -1 0 318.337 -0.349 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnnn3C)C2)c1[O-] ZINC000937831057 671840224 /nfs/dbraw/zinc/84/02/24/671840224.db2.gz AXNNGAPBWBJROQ-QMMMGPOBSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H](O)C(C)C)C2)c1[O-] ZINC000937832753 671840313 /nfs/dbraw/zinc/84/03/13/671840313.db2.gz UBIBIYOKXAIPKA-GXSJLCMTSA-N -1 0 310.354 -0.229 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)c1[O-] ZINC000937835492 671840536 /nfs/dbraw/zinc/84/05/36/671840536.db2.gz JNIZFUHIPKZCOW-ZETCQYMHSA-N -1 0 305.298 -0.814 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3ncccn3)C2)c1[O-] ZINC000937835334 671840690 /nfs/dbraw/zinc/84/06/90/671840690.db2.gz HCUKYBSRJJQHHG-VIFPVBQESA-N -1 0 316.321 -0.142 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000937845344 671841084 /nfs/dbraw/zinc/84/10/84/671841084.db2.gz UQVHMQJUDYPGEY-DTWKUNHWSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cncnc3)C2)c1[O-] ZINC000937859012 671843612 /nfs/dbraw/zinc/84/36/12/671843612.db2.gz BIJRZHCWPVJCLS-JTQLQIEISA-N -1 0 316.321 -0.142 20 0 DBADRM CC(C)C(=O)N1CCCC[C@@H]1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262426435 671869012 /nfs/dbraw/zinc/86/90/12/671869012.db2.gz BCXKYEFHPFMGEF-QMTHXVAHSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@@H]1C[C@@H](NCc2cnon2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989114358 671879464 /nfs/dbraw/zinc/87/94/64/671879464.db2.gz XMKVQNAVMACXQN-RNFRBKRXSA-N -1 0 321.297 -0.941 20 0 DBADRM C[C@@H]1C[C@H](NCc2ccon2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989112245 671879482 /nfs/dbraw/zinc/87/94/82/671879482.db2.gz OXAGSGPPHSNFNR-APPZFPTMSA-N -1 0 320.309 -0.336 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C ZINC000729913013 672497917 /nfs/dbraw/zinc/49/79/17/672497917.db2.gz LOSHQDLOSUGCKI-MRVPVSSYSA-N -1 0 321.428 -0.003 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000729899688 672496728 /nfs/dbraw/zinc/49/67/28/672496728.db2.gz CFTZZYQSUDUJIR-SNVBAGLBSA-N -1 0 306.384 -0.082 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC000729912993 672498362 /nfs/dbraw/zinc/49/83/62/672498362.db2.gz KSTSMHSHPLBZMW-UHFFFAOYSA-N -1 0 301.368 -0.060 20 0 DBADRM CCn1ncn([N-]C(=O)c2cn(C)nc2Br)c1=O ZINC000897835037 672514689 /nfs/dbraw/zinc/51/46/89/672514689.db2.gz TXLCDTCVNOGFDJ-UHFFFAOYSA-N -1 0 315.131 -0.055 20 0 DBADRM CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000035134790 672535569 /nfs/dbraw/zinc/53/55/69/672535569.db2.gz WAASTSFBLNTKGE-ZETCQYMHSA-N -1 0 316.335 -0.107 20 0 DBADRM Cc1nn(C)cc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038111509 672549341 /nfs/dbraw/zinc/54/93/41/672549341.db2.gz AAHDQPJRGQPUOZ-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)[C@@H]2CC=CCC2)C1 ZINC000990211794 672682302 /nfs/dbraw/zinc/68/23/02/672682302.db2.gz GGBDQDPVISIMRA-SECBINFHSA-N -1 0 321.337 -0.627 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cncnc3C)C2)c1[O-] ZINC000990330907 672746736 /nfs/dbraw/zinc/74/67/36/672746736.db2.gz IPGVXEUNJRCCTQ-UHFFFAOYSA-N -1 0 316.321 -0.223 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2c(C)n[nH]c2C)C1=O ZINC000916104792 677414364 /nfs/dbraw/zinc/41/43/64/677414364.db2.gz ANFCDQXKLCNUHW-LLVKDONJSA-N -1 0 315.355 -0.060 20 0 DBADRM CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000916789016 677424386 /nfs/dbraw/zinc/42/43/86/677424386.db2.gz ROVFLDZYXASYQT-ZETCQYMHSA-N -1 0 303.340 -0.646 20 0 DBADRM C[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 ZINC000731477025 677342106 /nfs/dbraw/zinc/34/21/06/677342106.db2.gz OJBRSXFNEZQOQG-LURJTMIESA-N -1 0 302.274 -0.690 20 0 DBADRM CC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@]2(C)C1 ZINC000993187688 677342823 /nfs/dbraw/zinc/34/28/23/677342823.db2.gz XWWYZPDDYQVPPO-OQPBUACISA-N -1 0 307.310 -0.777 20 0 DBADRM O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cc(=O)[nH][n-]1 ZINC000731871516 677346532 /nfs/dbraw/zinc/34/65/32/677346532.db2.gz HGIACGGZUGLUQE-UHFFFAOYSA-N -1 0 316.317 -0.027 20 0 DBADRM C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cc(=O)[nH][n-]2)C[C@@H](C)O1 ZINC000731871241 677346552 /nfs/dbraw/zinc/34/65/52/677346552.db2.gz HQLVIWJOSXLZHH-IJLUTSLNSA-N -1 0 308.382 -0.038 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000731880477 677346851 /nfs/dbraw/zinc/34/68/51/677346851.db2.gz NEMLJCVLKDBNGY-SECBINFHSA-N -1 0 310.358 -0.348 20 0 DBADRM NC(=O)[C@@H](CNC(=O)c1cc(=O)[nH][n-]1)Cc1ccc(F)cc1 ZINC000731897066 677346882 /nfs/dbraw/zinc/34/68/82/677346882.db2.gz NCTUMINNIFKQAG-SECBINFHSA-N -1 0 306.297 -0.538 20 0 DBADRM O=C(CN1CCCCCC1=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000731880529 677347021 /nfs/dbraw/zinc/34/70/21/677347021.db2.gz PBCVCEICIBYAOQ-SNVBAGLBSA-N -1 0 308.342 -0.498 20 0 DBADRM O=C(Cc1cccc(F)c1)NCCNC(=O)c1cc(=O)[nH][n-]1 ZINC000731896242 677347028 /nfs/dbraw/zinc/34/70/28/677347028.db2.gz DVDZITWYKQMHBY-UHFFFAOYSA-N -1 0 306.297 -0.524 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001031214181 677348470 /nfs/dbraw/zinc/34/84/70/677348470.db2.gz WTLAZKSDXWICKC-VIFPVBQESA-N -1 0 322.369 -0.931 20 0 DBADRM O=C(N1CCO[C@@H](c2nnn[n-]2)C1)[C@]12CCC(=O)N1CCS2 ZINC000732091030 677350665 /nfs/dbraw/zinc/35/06/65/677350665.db2.gz YFQNVQJHQUUVCE-PRHODGIISA-N -1 0 324.366 -0.835 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732091322 677350740 /nfs/dbraw/zinc/35/07/40/677350740.db2.gz ZFLLNRAXSIMLPS-MNOVXSKESA-N -1 0 322.369 -0.253 20 0 DBADRM O=C(CCOC[C@H]1CCCO1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732089324 677350810 /nfs/dbraw/zinc/35/08/10/677350810.db2.gz HAKFFDSQIMBPBP-MNOVXSKESA-N -1 0 311.342 -0.315 20 0 DBADRM CC(C)CN1C[C@H](C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CC1=O ZINC000732088725 677350947 /nfs/dbraw/zinc/35/09/47/677350947.db2.gz GFPJKICHHPYLMB-MNOVXSKESA-N -1 0 322.369 -0.396 20 0 DBADRM O=C(NCc1nnn[n-]1)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000732157763 677351775 /nfs/dbraw/zinc/35/17/75/677351775.db2.gz GDEXNPGRRROWQQ-UHFFFAOYSA-N -1 0 315.268 -0.185 20 0 DBADRM CS(=O)(=O)Nc1ccc(C=CC(=O)NCc2nnn[n-]2)cc1 ZINC000732157837 677351798 /nfs/dbraw/zinc/35/17/98/677351798.db2.gz IMQHIUZGIBWZQU-QPJJXVBHSA-N -1 0 322.350 -0.099 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000732267227 677352529 /nfs/dbraw/zinc/35/25/29/677352529.db2.gz DKBFKUKCKIMWKI-UHFFFAOYSA-N -1 0 301.306 -0.758 20 0 DBADRM O=C(NCCN1C(=O)c2ccccc2C1=O)c1cc(=O)[nH][n-]1 ZINC000732276432 677352841 /nfs/dbraw/zinc/35/28/41/677352841.db2.gz JXVAJMWDJGJYBL-UHFFFAOYSA-N -1 0 300.274 -0.725 20 0 DBADRM NC(=O)[C@H](CNC(=O)c1cc(=O)[nH][n-]1)Cc1ccccc1Cl ZINC000732289053 677353390 /nfs/dbraw/zinc/35/33/90/677353390.db2.gz BRUUJUZXZBFOMZ-VIFPVBQESA-N -1 0 322.752 -0.024 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993296747 677356735 /nfs/dbraw/zinc/35/67/35/677356735.db2.gz IVUJURFWKIXJRJ-DTWKUNHWSA-N -1 0 320.357 -0.578 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC000732509515 677362112 /nfs/dbraw/zinc/36/21/12/677362112.db2.gz HXVOXGOJIVRZMU-UHFFFAOYSA-N -1 0 306.384 -0.225 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000732521582 677363618 /nfs/dbraw/zinc/36/36/18/677363618.db2.gz YEYZEUBZTVLQDH-JTQLQIEISA-N -1 0 306.384 -0.274 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000732523672 677364008 /nfs/dbraw/zinc/36/40/08/677364008.db2.gz BJMBFJXVUQDZJF-UHFFFAOYSA-N -1 0 321.399 -0.528 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1 ZINC000732523103 677364036 /nfs/dbraw/zinc/36/40/36/677364036.db2.gz IQPIQEYFAMEVTR-UHFFFAOYSA-N -1 0 311.323 -0.632 20 0 DBADRM O=C(NC1CN([C@H]2CCNC2=O)C1)c1ccc2oc(=O)nc-2[n-]1 ZINC001031251434 677364620 /nfs/dbraw/zinc/36/46/20/677364620.db2.gz KPHVZBHJNPXFPO-VIFPVBQESA-N -1 0 317.305 -0.769 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000732606732 677366440 /nfs/dbraw/zinc/36/64/40/677366440.db2.gz SXKVWSQUEZBGSH-UHFFFAOYSA-N -1 0 317.367 -0.293 20 0 DBADRM COc1cc[nH]c(=O)c1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031264840 677370863 /nfs/dbraw/zinc/37/08/63/677370863.db2.gz WAYWGJQZMBHPDX-UHFFFAOYSA-N -1 0 320.309 -0.766 20 0 DBADRM CCc1cc(N2CCC[C@@H](NC(=O)c3cc(=O)[nH][n-]3)C2)ncn1 ZINC000732914211 677380363 /nfs/dbraw/zinc/38/03/63/677380363.db2.gz IPHZWVFLKDXFPH-LLVKDONJSA-N -1 0 316.365 0.000 20 0 DBADRM CC1(C(=O)NC2CN(C(=O)c3c[n-]n4c3nccc4=O)C2)CC1 ZINC000993641347 677383549 /nfs/dbraw/zinc/38/35/49/677383549.db2.gz FWXYFDSIGBERIK-UHFFFAOYSA-N -1 0 315.333 -0.237 20 0 DBADRM C[C@H]1[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)CCC[N@@H+]1CCO ZINC000993950202 677396053 /nfs/dbraw/zinc/39/60/53/677396053.db2.gz LMZMUVHSOQMGAM-JQWIXIFHSA-N -1 0 319.365 -0.402 20 0 DBADRM C[C@@H]1[C@H](NC(=O)Cc2nc[nH]n2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994202249 677410279 /nfs/dbraw/zinc/41/02/79/677410279.db2.gz JJAAYJUSPWMPSW-RKDXNWHRSA-N -1 0 320.357 -0.660 20 0 DBADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC000153834898 677414178 /nfs/dbraw/zinc/41/41/78/677414178.db2.gz PBQMIRBXEKWZSD-UHFFFAOYSA-N -1 0 310.335 -0.605 20 0 DBADRM Cc1cnc(CN2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)s1 ZINC001031314604 677416465 /nfs/dbraw/zinc/41/64/65/677416465.db2.gz BMIPALVHXMDAMI-UHFFFAOYSA-N -1 0 324.366 -0.545 20 0 DBADRM C[C@@H]1CC[C@H](CN2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC001031315018 677416514 /nfs/dbraw/zinc/41/65/14/677416514.db2.gz QFSHAJGCYHEJSX-PSASIEDQSA-N -1 0 311.342 -0.943 20 0 DBADRM Cc1csc(CN2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001031314726 677416552 /nfs/dbraw/zinc/41/65/52/677416552.db2.gz HHOGFVWCNMOGOL-UHFFFAOYSA-N -1 0 324.366 -0.545 20 0 DBADRM Cc1nc(C)c(CN2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001031314763 677416556 /nfs/dbraw/zinc/41/65/56/677416556.db2.gz JAJBILAAEGCWFV-UHFFFAOYSA-N -1 0 322.325 -0.705 20 0 DBADRM Cc1ncsc1CN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001031314695 677416625 /nfs/dbraw/zinc/41/66/25/677416625.db2.gz GDDGYBPDPUOASV-UHFFFAOYSA-N -1 0 324.366 -0.545 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C/C(Cl)=C\Cl)C1 ZINC001031315160 677416745 /nfs/dbraw/zinc/41/67/45/677416745.db2.gz XDRVCDGWHMPJEK-LZCJLJQNSA-N -1 0 322.152 -0.191 20 0 DBADRM Cc1cnc([C@H](C)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001031315137 677416899 /nfs/dbraw/zinc/41/68/99/677416899.db2.gz VUVMXLHQWBMKLT-QMMMGPOBSA-N -1 0 322.325 -0.453 20 0 DBADRM C[C@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCCN1CCF ZINC000994293338 677421268 /nfs/dbraw/zinc/42/12/68/677421268.db2.gz AQBQCQUTXGGBLR-IUCAKERBSA-N -1 0 301.322 -0.372 20 0 DBADRM O=C([N-]S(=O)(=O)c1cccnc1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000916781389 677424361 /nfs/dbraw/zinc/42/43/61/677424361.db2.gz QGHNIIUNUOLBGO-VIFPVBQESA-N -1 0 309.347 -0.103 20 0 DBADRM CN(C)C(=O)COc1ccccc1C(=O)[N-]S(C)(=O)=O ZINC000916765939 677424482 /nfs/dbraw/zinc/42/44/82/677424482.db2.gz SLNLTFQQSLQSKD-UHFFFAOYSA-N -1 0 300.336 -0.157 20 0 DBADRM Cc1cccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)c1 ZINC000916776492 677424718 /nfs/dbraw/zinc/42/47/18/677424718.db2.gz XJTSCFFJHXFXCL-UHFFFAOYSA-N -1 0 323.330 -0.087 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cnc[nH]c3=O)C2)c1[O-] ZINC000994429886 677427523 /nfs/dbraw/zinc/42/75/23/677427523.db2.gz SSTXRWMFWQMUSO-UHFFFAOYSA-N -1 0 318.293 -0.826 20 0 DBADRM CN(C)c1ncccc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031387565 677440906 /nfs/dbraw/zinc/44/09/06/677440906.db2.gz LBXNQVSKJQLPGN-UHFFFAOYSA-N -1 0 317.353 -0.415 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1noc2c1COCC2 ZINC001031416926 677446438 /nfs/dbraw/zinc/44/64/38/677446438.db2.gz NKYGWSYRZNDTIS-UHFFFAOYSA-N -1 0 320.309 -0.815 20 0 DBADRM Cc1nocc1S(=O)(=O)NCC12COCCN1CCOC2 ZINC000918379099 677455071 /nfs/dbraw/zinc/45/50/71/677455071.db2.gz RLWLYLZVXLUJAG-UHFFFAOYSA-N -1 0 317.367 -0.637 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000918567175 677458726 /nfs/dbraw/zinc/45/87/26/677458726.db2.gz BKEYGZYVYGHLBJ-UHFFFAOYSA-N -1 0 300.359 -0.388 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000918846883 677462618 /nfs/dbraw/zinc/46/26/18/677462618.db2.gz VITHPEYBPFXWLF-ZJUUUORDSA-N -1 0 300.359 -0.390 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000919249721 677470036 /nfs/dbraw/zinc/47/00/36/677470036.db2.gz PPFDKPNVWZZWJD-OAQYLSRUSA-N -1 0 313.379 -0.088 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000919380426 677474071 /nfs/dbraw/zinc/47/40/71/677474071.db2.gz FPEICQUWFKZKAR-ZJUUUORDSA-N -1 0 300.359 -0.247 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000919380422 677474218 /nfs/dbraw/zinc/47/42/18/677474218.db2.gz FPEICQUWFKZKAR-UWVGGRQHSA-N -1 0 300.359 -0.247 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc(F)nc1 ZINC001031587099 677474508 /nfs/dbraw/zinc/47/45/08/677474508.db2.gz RGSVFLWSAONSQO-UHFFFAOYSA-N -1 0 306.301 -0.094 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCCCC2)c[nH]1 ZINC000919671144 677478925 /nfs/dbraw/zinc/47/89/25/677478925.db2.gz WQDUQHSXPFGZLB-UHFFFAOYSA-N -1 0 300.340 -0.426 20 0 DBADRM CCn1ncnc1CN1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001031617280 677480956 /nfs/dbraw/zinc/48/09/56/677480956.db2.gz BSNCOUJCGUMTIG-UHFFFAOYSA-N -1 0 319.369 -0.103 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN([C@@H]3CCCNC3=O)C2)c1[O-] ZINC001031617669 677481091 /nfs/dbraw/zinc/48/10/91/677481091.db2.gz MJMORAWWHYNKCA-SNVBAGLBSA-N -1 0 307.354 -0.636 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN([C@@H](C)C(=O)N(C)C)C2)c1[O-] ZINC001031616470 677481185 /nfs/dbraw/zinc/48/11/85/677481185.db2.gz VRAIOZDRWBVCKZ-VIFPVBQESA-N -1 0 309.370 -0.438 20 0 DBADRM C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031638020 677488505 /nfs/dbraw/zinc/48/85/05/677488505.db2.gz REWXOLVBVDJSJA-GXSJLCMTSA-N -1 0 309.370 -0.127 20 0 DBADRM CS(=O)(=O)c1ccccc1C(=O)NCC(=O)NCC(=O)[O-] ZINC000920935930 677498230 /nfs/dbraw/zinc/49/82/30/677498230.db2.gz BKQBCAKIGVUUIE-UHFFFAOYSA-N -1 0 314.319 -0.979 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Cc1ccc2c(c1)OCCO2 ZINC000920936332 677498317 /nfs/dbraw/zinc/49/83/17/677498317.db2.gz NQHQCZJSQUEUAF-UHFFFAOYSA-N -1 0 308.290 -0.683 20 0 DBADRM CN1CCOC[C@]1(CO)CNS(=O)(=O)c1ccccc1[O-] ZINC000921338584 677501779 /nfs/dbraw/zinc/50/17/79/677501779.db2.gz LOYKZUOYDVNWLR-CYBMUJFWSA-N -1 0 316.379 -0.636 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC000921380279 677503124 /nfs/dbraw/zinc/50/31/24/677503124.db2.gz OTQLUUYTCUNLQF-UKKRHICBSA-N -1 0 307.368 -0.196 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)[C@H]1CCOC[C@H]1C ZINC000921380182 677503360 /nfs/dbraw/zinc/50/33/60/677503360.db2.gz JESVRCKQHSJNOQ-VWYCJHECSA-N -1 0 309.384 -0.091 20 0 DBADRM CC(=O)NCc1cn(C2CN(C(=O)c3n[nH]c(C)c3[O-])C2)nn1 ZINC000994719266 677503462 /nfs/dbraw/zinc/50/34/62/677503462.db2.gz QLKVMUCZYPRPPQ-UHFFFAOYSA-N -1 0 319.325 -0.652 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000921493423 677505570 /nfs/dbraw/zinc/50/55/70/677505570.db2.gz NWFKDTHUKLFUOG-NEPJUHHUSA-N -1 0 314.386 -0.393 20 0 DBADRM CCN1CCC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)CC)C1=O ZINC000921490547 677505581 /nfs/dbraw/zinc/50/55/81/677505581.db2.gz MKRJQFMGKKSRTM-DYBLOJMWSA-N -1 0 311.429 -0.051 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000921493426 677505763 /nfs/dbraw/zinc/50/57/63/677505763.db2.gz NWFKDTHUKLFUOG-VXGBXAGGSA-N -1 0 314.386 -0.393 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000938398609 677519218 /nfs/dbraw/zinc/51/92/18/677519218.db2.gz LBWSHVFNISONIW-QMMMGPOBSA-N -1 0 319.325 -0.505 20 0 DBADRM CC(C)=CC(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938400320 677519457 /nfs/dbraw/zinc/51/94/57/677519457.db2.gz WXFXOJCQYWTILK-JTQLQIEISA-N -1 0 320.349 -0.217 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938399995 677519539 /nfs/dbraw/zinc/51/95/39/677519539.db2.gz IJHUZOIVNNEAPM-GUBZILKMSA-N -1 0 320.349 -0.527 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938388283 677520123 /nfs/dbraw/zinc/52/01/23/677520123.db2.gz DTWNEVMVHSBKKN-CHDHTGKKSA-N -1 0 309.326 -0.627 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938410841 677523471 /nfs/dbraw/zinc/52/34/71/677523471.db2.gz JZPURKIPLVBRDK-HRDYMLBCSA-N -1 0 309.326 -0.938 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000938443700 677525781 /nfs/dbraw/zinc/52/57/81/677525781.db2.gz ISNGRZHQUCNBKN-VIFPVBQESA-N -1 0 318.337 -0.802 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938452969 677527276 /nfs/dbraw/zinc/52/72/76/677527276.db2.gz IRCJFXCPECGXDM-FXQIFTODSA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938458258 677528402 /nfs/dbraw/zinc/52/84/02/677528402.db2.gz JZPURKIPLVBRDK-CIUDSAMLSA-N -1 0 309.326 -0.938 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCN(C(=O)C2(C)CC2)C1 ZINC000938651419 677546449 /nfs/dbraw/zinc/54/64/49/677546449.db2.gz ZYAOAOHFHWHXFR-VIFPVBQESA-N -1 0 323.353 -0.451 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)Cn3cncn3)C2)c1[O-] ZINC000938881753 677559501 /nfs/dbraw/zinc/55/95/01/677559501.db2.gz SNIRSKPOHDPDSV-VIFPVBQESA-N -1 0 319.325 -0.954 20 0 DBADRM CC[C@@H]1CN(C(C)=O)CC[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000948174890 677560708 /nfs/dbraw/zinc/56/07/08/677560708.db2.gz AZCOWJGGNDGFPY-NXEZZACHSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938984636 677566359 /nfs/dbraw/zinc/56/63/59/677566359.db2.gz VRGLVHIFAKMVOZ-OPRDCNLKSA-N -1 0 323.353 -0.595 20 0 DBADRM CC(C)C(=O)N(C)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938983317 677566540 /nfs/dbraw/zinc/56/65/40/677566540.db2.gz CXMLRQHMAFBQAD-VIFPVBQESA-N -1 0 311.342 -0.595 20 0 DBADRM CC[C@@H]1CN(C(C)=O)CC[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000948191481 677574375 /nfs/dbraw/zinc/57/43/75/677574375.db2.gz PFGVANUYJUHPRD-ZYHUDNBSSA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000939120717 677578230 /nfs/dbraw/zinc/57/82/30/677578230.db2.gz BOAUEEXVKYQYBJ-AEJSXWLSSA-N -1 0 323.353 -0.595 20 0 DBADRM CO[C@@H]1CCC[C@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031794323 677581680 /nfs/dbraw/zinc/58/16/80/677581680.db2.gz SPMIIEDYXYVCRT-GHMZBOCLSA-N -1 0 309.370 -0.127 20 0 DBADRM Cc1nc(CN2CC(CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)co1 ZINC001031815990 677599494 /nfs/dbraw/zinc/59/94/94/677599494.db2.gz SGWWSQIVZUAZPK-UHFFFAOYSA-N -1 0 320.309 -0.559 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cnon3)C2)c1[O-] ZINC000939378071 677601633 /nfs/dbraw/zinc/60/16/33/677601633.db2.gz LZUOCVNBGSXCGT-HZGVNTEJSA-N -1 0 320.309 -0.303 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC000939395464 677604925 /nfs/dbraw/zinc/60/49/25/677604925.db2.gz JHOUKBMXQSGUBX-MRVPVSSYSA-N -1 0 320.309 -0.952 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)Cn3cccn3)C2)c1[O-] ZINC000939423340 677606595 /nfs/dbraw/zinc/60/65/95/677606595.db2.gz ZDOJLKMTNOLLPT-SNVBAGLBSA-N -1 0 318.337 -0.349 20 0 DBADRM Cn1ccc(=O)c(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001031836395 677618617 /nfs/dbraw/zinc/61/86/17/677618617.db2.gz BZJOAJZEHMGUSL-UHFFFAOYSA-N -1 0 318.337 -0.929 20 0 DBADRM Cc1c[nH]cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000939742384 677629212 /nfs/dbraw/zinc/62/92/12/677629212.db2.gz DXXUYCFAHWYYLQ-ZYHUDNBSSA-N -1 0 318.381 -0.005 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cncnc3)C2)c1[O-] ZINC000940039128 677645300 /nfs/dbraw/zinc/64/53/00/677645300.db2.gz ZYNLLFSIZZRXTH-SNVBAGLBSA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3ncc[nH]3)C2)c1[O-] ZINC000940043139 677645493 /nfs/dbraw/zinc/64/54/93/677645493.db2.gz YJGSEDQGIOVZNZ-MRVPVSSYSA-N -1 0 304.310 -0.209 20 0 DBADRM NS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000070416983 677704518 /nfs/dbraw/zinc/70/45/18/677704518.db2.gz LLOQRSGABJSEBX-UHFFFAOYSA-N -1 0 320.327 -0.003 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(N)=O)CC2(C)C)c1[O-] ZINC000940680781 677708082 /nfs/dbraw/zinc/70/80/82/677708082.db2.gz MCBOCMVWVFVPTP-VIFPVBQESA-N -1 0 309.370 -0.261 20 0 DBADRM CC(C)=CC(=O)N1CCN(C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000941289632 677774185 /nfs/dbraw/zinc/77/41/85/677774185.db2.gz SSCTZOJWHGJCKE-UHFFFAOYSA-N -1 0 320.397 -0.195 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCN(C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000941294950 677774865 /nfs/dbraw/zinc/77/48/65/677774865.db2.gz DMYUJLCIOAYEDB-JQWIXIFHSA-N -1 0 320.397 -0.505 20 0 DBADRM CC(C)C(=O)N1CCN(C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000941317942 677778807 /nfs/dbraw/zinc/77/88/07/677778807.db2.gz GIINZQYQCPUNEQ-UHFFFAOYSA-N -1 0 308.386 -0.505 20 0 DBADRM CC1(C(=O)N2CCN(C3CN(Cc4n[nH]c(=O)[n-]4)C3)CC2)CC1 ZINC000941418609 677804183 /nfs/dbraw/zinc/80/41/83/677804183.db2.gz WSABDONXAPVGEO-UHFFFAOYSA-N -1 0 320.397 -0.361 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1)c1cn[nH]n1 ZINC000941446206 677805573 /nfs/dbraw/zinc/80/55/73/677805573.db2.gz HLNGNIZOMSAQFM-WZRBSPASSA-N -1 0 319.365 -0.050 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000941446506 677805813 /nfs/dbraw/zinc/80/58/13/677805813.db2.gz VOZLRUHCFYDIPO-MWLCHTKSSA-N -1 0 320.353 -0.854 20 0 DBADRM Cc1nn(C)c(F)c1C(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000941446512 677805838 /nfs/dbraw/zinc/80/58/38/677805838.db2.gz VZMSYNFGAXBEQN-MRVPVSSYSA-N -1 0 321.316 -0.370 20 0 DBADRM CC(=O)N1CC[C@@H](C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)C1 ZINC000941446367 677805893 /nfs/dbraw/zinc/80/58/93/677805893.db2.gz OOHQRANAXXDGFK-GHMZBOCLSA-N -1 0 320.353 -0.996 20 0 DBADRM O=C(CCC1CC1)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941791946 677852852 /nfs/dbraw/zinc/85/28/52/677852852.db2.gz IJQZWFNMWHDTBZ-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM CC[C@@H]1C[C@H](C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)CC(=O)N1 ZINC000995177740 677853189 /nfs/dbraw/zinc/85/31/89/677853189.db2.gz CPNXFDDWEIBYMR-DTWKUNHWSA-N -1 0 320.353 -0.950 20 0 DBADRM CCn1ccc(CC(=O)N2CC(NC(=O)c3cn[nH]n3)C2)n1 ZINC000995177795 677853264 /nfs/dbraw/zinc/85/32/64/677853264.db2.gz DLSRYNFJTSAIOV-UHFFFAOYSA-N -1 0 303.326 -0.796 20 0 DBADRM NC(=O)[C@H]1CCC[C@H](C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)C1 ZINC000995177952 677853271 /nfs/dbraw/zinc/85/32/71/677853271.db2.gz SQPDSLFDFOXHKU-IUCAKERBSA-N -1 0 320.353 -0.963 20 0 DBADRM C[C@@H](C(=O)N1CC(NC(=O)c2cn[nH]n2)C1)c1ccnn1C ZINC000995177885 677853554 /nfs/dbraw/zinc/85/35/54/677853554.db2.gz QXAGIQPTTWJNBC-MRVPVSSYSA-N -1 0 303.326 -0.718 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cn[nH]c1 ZINC000941849401 677856854 /nfs/dbraw/zinc/85/68/54/677856854.db2.gz FBNQXYIZGJXPEQ-WPRPVWTQSA-N -1 0 305.342 -0.126 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000941939828 677864608 /nfs/dbraw/zinc/86/46/08/677864608.db2.gz NWTZJEFZCYUWNV-IWSPIJDZSA-N -1 0 309.326 -0.938 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000941933825 677864769 /nfs/dbraw/zinc/86/47/69/677864769.db2.gz DTWNEVMVHSBKKN-PTDYZRSTSA-N -1 0 309.326 -0.627 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cn(C)cn1 ZINC000941951222 677866511 /nfs/dbraw/zinc/86/65/11/677866511.db2.gz QQZRZQJIYNYLNF-UWVGGRQHSA-N -1 0 319.369 -0.116 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cn(C)cn1 ZINC000941951243 677866822 /nfs/dbraw/zinc/86/68/22/677866822.db2.gz QQZRZQJIYNYLNF-ZJUUUORDSA-N -1 0 319.369 -0.116 20 0 DBADRM CC(C)=CC(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000941983062 677869225 /nfs/dbraw/zinc/86/92/25/677869225.db2.gz WXFXOJCQYWTILK-SNVBAGLBSA-N -1 0 320.349 -0.217 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cnnn1C ZINC000942013490 677874579 /nfs/dbraw/zinc/87/45/79/677874579.db2.gz NHUQKPOGVZCDLU-BDAKNGLRSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cnnn1C ZINC000942013492 677874859 /nfs/dbraw/zinc/87/48/59/677874859.db2.gz NHUQKPOGVZCDLU-IUCAKERBSA-N -1 0 320.357 -0.721 20 0 DBADRM Cn1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000995220298 677900282 /nfs/dbraw/zinc/90/02/82/677900282.db2.gz BMEZPZVJKWJVIA-NXEZZACHSA-N -1 0 319.369 -0.068 20 0 DBADRM CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000942376182 677923121 /nfs/dbraw/zinc/92/31/21/677923121.db2.gz POSZXPZDRHSRMH-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000942550948 677944007 /nfs/dbraw/zinc/94/40/07/677944007.db2.gz MXGNKEDHKOJPTI-APPZFPTMSA-N -1 0 320.357 -0.423 20 0 DBADRM CCN(C(C)=O)[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000942611563 677952733 /nfs/dbraw/zinc/95/27/33/677952733.db2.gz CXHFAQNWMUMSDA-JTQLQIEISA-N -1 0 323.353 -0.315 20 0 DBADRM CC(=O)N1CCCC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000943417827 677993587 /nfs/dbraw/zinc/99/35/87/677993587.db2.gz SZWWOHMYAHTNBJ-SNVBAGLBSA-N -1 0 308.338 -0.383 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)c1[O-] ZINC000995376118 678009970 /nfs/dbraw/zinc/00/99/70/678009970.db2.gz AWKMHIXFVWTSOL-QMMMGPOBSA-N -1 0 321.337 -0.967 20 0 DBADRM CC(=O)N1CCC2(CN(C(=O)c3cnc([O-])n(C)c3=O)C2)CC1 ZINC000944814603 678131294 /nfs/dbraw/zinc/13/12/94/678131294.db2.gz WVRIMZDMDYBWBV-UHFFFAOYSA-N -1 0 320.349 -0.430 20 0 DBADRM CCc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001032228049 678137292 /nfs/dbraw/zinc/13/72/92/678137292.db2.gz UEMFBGKQVLRCNQ-UHFFFAOYSA-N -1 0 319.369 -0.332 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC000945074773 678141301 /nfs/dbraw/zinc/14/13/01/678141301.db2.gz AOFOIJYQAFFDLW-HTQZYQBOSA-N -1 0 309.326 -0.340 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1cnn(CC(F)(F)F)c1 ZINC000921506019 678149082 /nfs/dbraw/zinc/14/90/82/678149082.db2.gz HYDLWEBGEJVKQI-UHFFFAOYSA-N -1 0 309.248 -0.078 20 0 DBADRM C[C@H]1CN(C(=O)Cn2nccn2)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000945341405 678150681 /nfs/dbraw/zinc/15/06/81/678150681.db2.gz NMKPJRRRHCFCJE-VHSXEESVSA-N -1 0 318.341 -0.937 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC000945434798 678155403 /nfs/dbraw/zinc/15/54/03/678155403.db2.gz KSZYIIRLRTUTPX-KCJUWKMLSA-N -1 0 308.338 -0.527 20 0 DBADRM Cc1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)cn1 ZINC001032260785 678155433 /nfs/dbraw/zinc/15/54/33/678155433.db2.gz HRUNHYWQTHMPPW-UWVGGRQHSA-N -1 0 315.337 -0.292 20 0 DBADRM O=C(c1cc[n+]([O-])cc1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032264269 678162774 /nfs/dbraw/zinc/16/27/74/678162774.db2.gz ZWKWWEGWEWEDKD-QWRGUYRKSA-N -1 0 316.321 -0.757 20 0 DBADRM CC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000945548341 678165110 /nfs/dbraw/zinc/16/51/10/678165110.db2.gz JNOGSXIRZAFLCG-CBAPKCEASA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000945548342 678165266 /nfs/dbraw/zinc/16/52/66/678165266.db2.gz JNOGSXIRZAFLCG-IONNQARKSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000945658461 678169032 /nfs/dbraw/zinc/16/90/32/678169032.db2.gz XNBOUIAXUVZEKS-CBAPKCEASA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000945658463 678169114 /nfs/dbraw/zinc/16/91/14/678169114.db2.gz XNBOUIAXUVZEKS-VXNVDRBHSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000945690919 678171768 /nfs/dbraw/zinc/17/17/68/678171768.db2.gz DIYDWJKGIJNBEF-CBAPKCEASA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)NC[C@H]1[C@H](C)CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000945791414 678174785 /nfs/dbraw/zinc/17/47/85/678174785.db2.gz WMYXPCFJWZSIJD-SCZZXKLOSA-N -1 0 311.342 -0.548 20 0 DBADRM Nc1nccnc1C(=O)[N-]NC(=O)Cn1cnc2ccccc21 ZINC000073299847 678177514 /nfs/dbraw/zinc/17/75/14/678177514.db2.gz WYCVYMKAMIQTDY-UHFFFAOYSA-N -1 0 311.305 -0.130 20 0 DBADRM CCC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000945817719 678179797 /nfs/dbraw/zinc/17/97/97/678179797.db2.gz ZBOXKYOVNPOWJP-VHSXEESVSA-N -1 0 323.353 -0.451 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000945941483 678186900 /nfs/dbraw/zinc/18/69/00/678186900.db2.gz DWASBSMVKFPRDX-CBAPKCEASA-N -1 0 321.341 -0.158 20 0 DBADRM CC(=O)N1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)CC[C@H]21 ZINC000946007995 678192102 /nfs/dbraw/zinc/19/21/02/678192102.db2.gz YMGIKXVOTMYOIQ-ZYHUDNBSSA-N -1 0 320.349 -0.431 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)Cc3cncn3C)C2)c1[O-] ZINC000996442354 678244424 /nfs/dbraw/zinc/24/44/24/678244424.db2.gz GCFBHCAZVFIPRI-UHFFFAOYSA-N -1 0 318.337 -0.659 20 0 DBADRM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001032298959 678251206 /nfs/dbraw/zinc/25/12/06/678251206.db2.gz APEQTQSGMFBYKC-IUCAKERBSA-N -1 0 303.326 -0.359 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccco1 ZINC000733715655 678253632 /nfs/dbraw/zinc/25/36/32/678253632.db2.gz YOTYAVZKVYEEEL-VIFPVBQESA-N -1 0 318.351 -0.120 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O ZINC000733717080 678254566 /nfs/dbraw/zinc/25/45/66/678254566.db2.gz ZNIMTWYBYVMYIR-QMMMGPOBSA-N -1 0 306.340 -0.994 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000733719250 678255544 /nfs/dbraw/zinc/25/55/44/678255544.db2.gz YGFHWICYMYCVAS-RKDXNWHRSA-N -1 0 304.368 -0.522 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733720057 678255739 /nfs/dbraw/zinc/25/57/39/678255739.db2.gz BSBPOKIVHCQDIT-GHMZBOCLSA-N -1 0 318.395 -0.132 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC000733718748 678255786 /nfs/dbraw/zinc/25/57/86/678255786.db2.gz VVAQWQGIQZCYTC-GXSJLCMTSA-N -1 0 306.384 -0.274 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733719397 678255945 /nfs/dbraw/zinc/25/59/45/678255945.db2.gz GHLJZQDIGVOTHG-IUCAKERBSA-N -1 0 306.384 -0.228 20 0 DBADRM CC[S@@](=O)CCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000733963352 678269806 /nfs/dbraw/zinc/26/98/06/678269806.db2.gz FCVMQBSXHDXHPP-OAQYLSRUSA-N -1 0 310.335 -0.066 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cc1cnn(C)c1 ZINC000734089963 678275068 /nfs/dbraw/zinc/27/50/68/678275068.db2.gz SVAWDCXNGBNWBJ-UHFFFAOYSA-N -1 0 303.340 -0.638 20 0 DBADRM CC(C)(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032320530 678287160 /nfs/dbraw/zinc/28/71/60/678287160.db2.gz MRRVODJPGNILLY-IUCAKERBSA-N -1 0 307.354 -0.089 20 0 DBADRM Cc1[nH]ccc1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996737082 678290062 /nfs/dbraw/zinc/29/00/62/678290062.db2.gz RWUBFZRCNRISOO-UHFFFAOYSA-N -1 0 318.293 -0.826 20 0 DBADRM O=C(NC1CN(C(=O)c2ccco2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996737682 678290372 /nfs/dbraw/zinc/29/03/72/678290372.db2.gz ICVCLKQDBNWVLO-UHFFFAOYSA-N -1 0 305.250 -0.870 20 0 DBADRM C/C(=C/C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000996742150 678290649 /nfs/dbraw/zinc/29/06/49/678290649.db2.gz AKJQEZNYSSJXGK-DAXSKMNVSA-N -1 0 319.321 -0.420 20 0 DBADRM O=C(NC1CN(C(=O)[C@@H]2CC23CCC3)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996746208 678291318 /nfs/dbraw/zinc/29/13/18/678291318.db2.gz RXDYUUGGULPBFX-QMMMGPOBSA-N -1 0 319.321 -0.586 20 0 DBADRM CCC1(C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000996746839 678291502 /nfs/dbraw/zinc/29/15/02/678291502.db2.gz VJMKNFGBMDATSR-UHFFFAOYSA-N -1 0 307.310 -0.586 20 0 DBADRM Cc1occc1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996746289 678291621 /nfs/dbraw/zinc/29/16/21/678291621.db2.gz UBMSCNDOVCPNNO-UHFFFAOYSA-N -1 0 319.277 -0.561 20 0 DBADRM O=C(CNC(=O)C1CCCCC1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000735047787 678310244 /nfs/dbraw/zinc/31/02/44/678310244.db2.gz BROSLPFIPJQOOD-NSHDSACASA-N -1 0 322.369 -0.204 20 0 DBADRM O=C(c1cccc(=O)[nH]1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032334194 678315214 /nfs/dbraw/zinc/31/52/14/678315214.db2.gz BGANBCGGEYSJIU-IUCAKERBSA-N -1 0 316.321 -0.290 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)COC1CCOCC1 ZINC000735399005 678325662 /nfs/dbraw/zinc/32/56/62/678325662.db2.gz YVEODSYLPJZDJV-UHFFFAOYSA-N -1 0 323.367 -0.419 20 0 DBADRM O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000735521098 678333220 /nfs/dbraw/zinc/33/32/20/678333220.db2.gz XCACRAHPSCHBTL-LLVKDONJSA-N -1 0 304.306 -0.237 20 0 DBADRM Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)c1 ZINC001032354422 678339770 /nfs/dbraw/zinc/33/97/70/678339770.db2.gz JVMSVEDYDJXJMR-IUCAKERBSA-N -1 0 303.326 -0.657 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)N(C)C)c1[O-] ZINC001032355392 678341347 /nfs/dbraw/zinc/34/13/47/678341347.db2.gz BPWXAIHJAFWENL-UWVGGRQHSA-N -1 0 307.354 -0.589 20 0 DBADRM O=C([C@@H]1CCCCO1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032356700 678342134 /nfs/dbraw/zinc/34/21/34/678342134.db2.gz VXXIZOMDBPJXPA-DCAQKATOSA-N -1 0 307.354 -0.136 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cocn1 ZINC000735770098 678343333 /nfs/dbraw/zinc/34/33/33/678343333.db2.gz DCBWNJKJJZWJMO-VIFPVBQESA-N -1 0 317.323 -0.323 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H]2CCN(C)C2=O)c1[O-] ZINC001032359298 678344375 /nfs/dbraw/zinc/34/43/75/678344375.db2.gz SOMFLHQOLHCMJF-DCAQKATOSA-N -1 0 319.365 -0.447 20 0 DBADRM CN(C)c1cccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1 ZINC000788072366 678344443 /nfs/dbraw/zinc/34/44/43/678344443.db2.gz RTHCBFZFYSLQDF-UHFFFAOYSA-N -1 0 312.351 -0.160 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)OCC ZINC000735771269 678345016 /nfs/dbraw/zinc/34/50/16/678345016.db2.gz FSKUJOMMCZGVBC-NXEZZACHSA-N -1 0 322.383 -0.200 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](CC)OC ZINC000735774229 678345359 /nfs/dbraw/zinc/34/53/59/678345359.db2.gz FGNQVHKUGIHJPN-VHSXEESVSA-N -1 0 322.383 -0.200 20 0 DBADRM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)cnn1 ZINC001032374818 678374995 /nfs/dbraw/zinc/37/49/95/678374995.db2.gz MWYYLIBYJIGGKE-QWRGUYRKSA-N -1 0 315.337 -0.292 20 0 DBADRM O=C(CCc1ncc[nH]1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032379087 678380224 /nfs/dbraw/zinc/38/02/24/678380224.db2.gz HMFMCUBCIULOGE-UWVGGRQHSA-N -1 0 317.353 -0.349 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000888319942 678392069 /nfs/dbraw/zinc/39/20/69/678392069.db2.gz SWKAGNLKAYBZKJ-NKWVEPMBSA-N -1 0 308.264 -0.251 20 0 DBADRM Cn1ccc(CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)n1 ZINC001032399315 678395949 /nfs/dbraw/zinc/39/59/49/678395949.db2.gz MVTRZWJCMJPWEI-QWRGUYRKSA-N -1 0 317.353 -0.728 20 0 DBADRM O=C(N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1)[C@]12C[C@H]1COC2 ZINC001032414188 678415414 /nfs/dbraw/zinc/41/54/14/678415414.db2.gz NNDBUVNOXVLXAU-QSDJMHMYSA-N -1 0 305.338 -0.668 20 0 DBADRM CCC(C)(C)C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997258501 678423408 /nfs/dbraw/zinc/42/34/08/678423408.db2.gz QVTKBQAIAGGDBQ-UHFFFAOYSA-N -1 0 311.342 -0.548 20 0 DBADRM CCC1(C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CCC1 ZINC000997258028 678423453 /nfs/dbraw/zinc/42/34/53/678423453.db2.gz KUHSXKOEZPLIHQ-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CC(C)[C@@H](F)C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997257994 678423714 /nfs/dbraw/zinc/42/37/14/678423714.db2.gz KDRWCWPUEMXFRW-SECBINFHSA-N -1 0 315.305 -0.990 20 0 DBADRM C[C@H](C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000997262995 678423956 /nfs/dbraw/zinc/42/39/56/678423956.db2.gz DMGQMLOAXOHWQV-ZETCQYMHSA-N -1 0 309.326 -0.938 20 0 DBADRM Cc1nn[nH]c1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000997340943 678430135 /nfs/dbraw/zinc/43/01/35/678430135.db2.gz YUBOYYONOULIFK-UHFFFAOYSA-N -1 0 305.298 -0.895 20 0 DBADRM CC(C)=C(F)C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997359946 678433665 /nfs/dbraw/zinc/43/36/65/678433665.db2.gz BDYFCZZZFHVKQJ-UHFFFAOYSA-N -1 0 324.312 -0.310 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997363048 678435289 /nfs/dbraw/zinc/43/52/89/678435289.db2.gz YHUJHAQTQZUIKJ-DTWKUNHWSA-N -1 0 320.349 -0.527 20 0 DBADRM C[C@H]1C(=O)NCCN1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000736749122 678443426 /nfs/dbraw/zinc/44/34/26/678443426.db2.gz XMSXAVBMSDVBEO-CMPLNLGQSA-N -1 0 308.334 -0.055 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000888328279 678463428 /nfs/dbraw/zinc/46/34/28/678463428.db2.gz JDKGEYROSXSMNJ-JTQLQIEISA-N -1 0 310.358 -0.083 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000888328120 678463641 /nfs/dbraw/zinc/46/36/41/678463641.db2.gz CYHLEMXSGSKYIU-OPQQBVKSSA-N -1 0 310.358 -0.085 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(CC(=O)N(C)C)CC1 ZINC000888331282 678464579 /nfs/dbraw/zinc/46/45/79/678464579.db2.gz IYMSUKPPHAQWEV-UHFFFAOYSA-N -1 0 309.374 -0.163 20 0 DBADRM CC1(C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CCC1 ZINC000997471522 678465486 /nfs/dbraw/zinc/46/54/86/678465486.db2.gz DLTAJOYOMSBHIC-UHFFFAOYSA-N -1 0 307.310 -0.586 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000888335465 678465614 /nfs/dbraw/zinc/46/56/14/678465614.db2.gz BIPABWZTPCXLPT-LBPRGKRZSA-N -1 0 323.401 -0.167 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000888339780 678466312 /nfs/dbraw/zinc/46/63/12/678466312.db2.gz OIVKJEMMPLSUQY-LLVKDONJSA-N -1 0 309.374 -0.557 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000888341999 678466375 /nfs/dbraw/zinc/46/63/75/678466375.db2.gz YMJCNJQXJHXCIC-UHFFFAOYSA-N -1 0 321.385 -0.019 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000888345043 678467891 /nfs/dbraw/zinc/46/78/91/678467891.db2.gz QGIROXZRAZCNHR-UHFFFAOYSA-N -1 0 309.374 -0.163 20 0 DBADRM CC1(C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CCC1 ZINC000997478195 678468625 /nfs/dbraw/zinc/46/86/25/678468625.db2.gz WJCJPEOMOYHASA-UHFFFAOYSA-N -1 0 309.326 -0.794 20 0 DBADRM C/C=C(\C)C(=O)N1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000946223310 678478463 /nfs/dbraw/zinc/47/84/63/678478463.db2.gz PCLOAVHKMIJYQH-FPYGCLRLSA-N -1 0 321.337 -0.030 20 0 DBADRM O=C(N[C@@H]1CCC[C@@H]1CNC(=O)c1ccnnc1)c1cn[nH]n1 ZINC000946251089 678484919 /nfs/dbraw/zinc/48/49/19/678484919.db2.gz ZYJCIUBGPZPQKJ-MWLCHTKSSA-N -1 0 315.337 -0.077 20 0 DBADRM CC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000946253927 678485787 /nfs/dbraw/zinc/48/57/87/678485787.db2.gz QCRUHRVIOXOOQK-VHSXEESVSA-N -1 0 318.337 -0.548 20 0 DBADRM C[C@H](NC(=O)c1cn[nH]n1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000997656151 678490630 /nfs/dbraw/zinc/49/06/30/678490630.db2.gz FZFQADGXAJYTGA-QMMMGPOBSA-N -1 0 320.357 -0.341 20 0 DBADRM CCc1nc[nH]c1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000997700273 678497871 /nfs/dbraw/zinc/49/78/71/678497871.db2.gz ASZIZAVXAJSYGS-UHFFFAOYSA-N -1 0 318.337 -0.036 20 0 DBADRM CC(=O)NC[C@H]1CCCC[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000946410834 678531120 /nfs/dbraw/zinc/53/11/20/678531120.db2.gz MBWOAHKYIXAHNT-NXEZZACHSA-N -1 0 311.342 -0.500 20 0 DBADRM CC1(C)CC[C@@H]1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000997924175 678537338 /nfs/dbraw/zinc/53/73/38/678537338.db2.gz SQSSVHPHQHVXIP-MRVPVSSYSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(Cc1cnoc1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032582440 678537734 /nfs/dbraw/zinc/53/77/34/678537734.db2.gz YIUPYOKKLZFZSL-UWVGGRQHSA-N -1 0 304.310 -0.474 20 0 DBADRM CO[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1)C(C)C ZINC001032604987 678567489 /nfs/dbraw/zinc/56/74/89/678567489.db2.gz PDHRLFTUIOPAFM-JBLDHEPKSA-N -1 0 309.370 -0.034 20 0 DBADRM Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)[nH]c1=O ZINC001032605248 678568020 /nfs/dbraw/zinc/56/80/20/678568020.db2.gz WDFZVIZOAOHSQV-YUMQZZPRSA-N -1 0 319.325 -0.952 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3ccncn3)C2)c1[O-] ZINC000998188950 678569801 /nfs/dbraw/zinc/56/98/01/678569801.db2.gz IKSCDTRZFLHLIY-UHFFFAOYSA-N -1 0 302.294 -0.532 20 0 DBADRM O=C(Cc1ccco1)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000998243888 678576695 /nfs/dbraw/zinc/57/66/95/678576695.db2.gz XBYHQLNORQGXNO-UHFFFAOYSA-N -1 0 319.277 -0.941 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C/C=C/Cl)C1 ZINC001016109219 678602051 /nfs/dbraw/zinc/60/20/51/678602051.db2.gz BDEMXAUUWOBBBQ-YUQHSTNDSA-N -1 0 301.734 -0.368 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)O1 ZINC001032638589 678624903 /nfs/dbraw/zinc/62/49/03/678624903.db2.gz HFTYBQDOFOQLSO-VPOLOUISSA-N -1 0 307.354 -0.137 20 0 DBADRM O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032640620 678642516 /nfs/dbraw/zinc/64/25/16/678642516.db2.gz NXWPENHCGBUNEP-HGCLJGPKSA-N -1 0 319.365 -0.137 20 0 DBADRM CC[C@]1(C)C[C@H]1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000998859786 678652344 /nfs/dbraw/zinc/65/23/44/678652344.db2.gz ANDUJXFVNIWJEL-RMLUDKJBSA-N -1 0 321.337 -0.340 20 0 DBADRM CC[C@@]1(C)C[C@H]1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000998859792 678652390 /nfs/dbraw/zinc/65/23/90/678652390.db2.gz ANDUJXFVNIWJEL-RTHLEPHNSA-N -1 0 321.337 -0.340 20 0 DBADRM CC[C@]1(C)C[C@H]1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000998882596 678652895 /nfs/dbraw/zinc/65/28/95/678652895.db2.gz QUIAVCGDIWMTSP-LKFCYVNXSA-N -1 0 323.353 -0.548 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC(NCc2ccon2)C1 ZINC000999058665 678668243 /nfs/dbraw/zinc/66/82/43/678668243.db2.gz RCPGJYOVZGBTNE-UHFFFAOYSA-N -1 0 320.309 -0.336 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCF ZINC001032686327 678695890 /nfs/dbraw/zinc/69/58/90/678695890.db2.gz OOWYDIZXEIPDFW-RYUDHWBXSA-N -1 0 324.356 -0.429 20 0 DBADRM O=C(c1ncccn1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032693389 678698866 /nfs/dbraw/zinc/69/88/66/678698866.db2.gz DRPATKJJFCRGBL-IUCAKERBSA-N -1 0 301.310 -0.601 20 0 DBADRM O=C(CCc1c[nH]cn1)N1CCC[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC000999319687 678706023 /nfs/dbraw/zinc/70/60/23/678706023.db2.gz WJEPWRAKLXJUIP-NSHDSACASA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1cnoc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[nH]1 ZINC001032712544 678707118 /nfs/dbraw/zinc/70/71/18/678707118.db2.gz DYFGFCZCVCFEDW-UWVGGRQHSA-N -1 0 318.337 -0.496 20 0 DBADRM CN(C(=O)C(F)F)C1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001016144391 678710269 /nfs/dbraw/zinc/71/02/69/678710269.db2.gz UWBYPTDPCLZMRR-UHFFFAOYSA-N -1 0 317.252 -0.733 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)CCOCc1ccccc1 ZINC000921687848 678772233 /nfs/dbraw/zinc/77/22/33/678772233.db2.gz LZPQKIZZXGJTFN-UHFFFAOYSA-N -1 0 302.352 -0.200 20 0 DBADRM CCc1nc[nH]c1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032756693 678817491 /nfs/dbraw/zinc/81/74/91/678817491.db2.gz ILROXPUQEVSJHH-IUCAKERBSA-N -1 0 317.353 -0.105 20 0 DBADRM Cc1nccn1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032784415 678832961 /nfs/dbraw/zinc/83/29/61/678832961.db2.gz WRYCYPFHUDKNFU-QWRGUYRKSA-N -1 0 317.353 -0.499 20 0 DBADRM CNC(=O)[C@@H](C)N1CC=C(CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001000588493 678857892 /nfs/dbraw/zinc/85/78/92/678857892.db2.gz RBFBNRDORJWBNP-SNVBAGLBSA-N -1 0 321.381 -0.080 20 0 DBADRM Cn1cc(C(=O)NCC2=CCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC001000639465 678860439 /nfs/dbraw/zinc/86/04/39/678860439.db2.gz MHPQZXQJOGLRDM-UHFFFAOYSA-N -1 0 318.341 -0.799 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001000784096 678873445 /nfs/dbraw/zinc/87/34/45/678873445.db2.gz QQNXCKXJNYUHHR-WPRPVWTQSA-N -1 0 320.349 -0.670 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(CNC(=O)c2ccoc2)C1 ZINC001000939218 678885776 /nfs/dbraw/zinc/88/57/76/678885776.db2.gz NWLYCECRZDRKEC-UHFFFAOYSA-N -1 0 321.293 -0.829 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)[C@H]3COCCO3)C2)c1[O-] ZINC001000993328 678890836 /nfs/dbraw/zinc/89/08/36/678890836.db2.gz AIRHWERFRKNAID-SNVBAGLBSA-N -1 0 324.337 -0.973 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001001262289 678920353 /nfs/dbraw/zinc/92/03/53/678920353.db2.gz DCFJTPWWCHVSLJ-SNVBAGLBSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC=CC1 ZINC001001267202 678922791 /nfs/dbraw/zinc/92/27/91/678922791.db2.gz MZRBKANUJSWBMF-UHFFFAOYSA-N -1 0 319.321 -0.563 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)Cc3cnoc3)C2)c1[O-] ZINC001001450267 678935544 /nfs/dbraw/zinc/93/55/44/678935544.db2.gz DISBGFXSXATDKH-UHFFFAOYSA-N -1 0 319.321 -0.157 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3cnnn3C)C2)c1[O-] ZINC001001455015 678936349 /nfs/dbraw/zinc/93/63/49/678936349.db2.gz LPVZLKWZQCQBHZ-UHFFFAOYSA-N -1 0 319.325 -0.946 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3cncnc3)C2)c1[O-] ZINC001001534884 678939908 /nfs/dbraw/zinc/93/99/08/678939908.db2.gz YDVNCCPXLUSYAW-UHFFFAOYSA-N -1 0 316.321 -0.284 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3ncc[nH]3)C2)c1[O-] ZINC001001774761 678956074 /nfs/dbraw/zinc/95/60/74/678956074.db2.gz BURAAIDBWIRBFZ-UHFFFAOYSA-N -1 0 304.310 -0.351 20 0 DBADRM Cc1c[nH]nc1C(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001001790856 678958658 /nfs/dbraw/zinc/95/86/58/678958658.db2.gz BXQNWNWFOLEMKX-UHFFFAOYSA-N -1 0 318.337 -0.043 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccncn1 ZINC001001953521 678962567 /nfs/dbraw/zinc/96/25/67/678962567.db2.gz DIDHGBRVBAEAMX-UHFFFAOYSA-N -1 0 317.353 -0.058 20 0 DBADRM CC(C)C(=O)N1CC(CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001001959189 678962649 /nfs/dbraw/zinc/96/26/49/678962649.db2.gz PLWDBGKDOOTXGJ-UHFFFAOYSA-N -1 0 317.349 -0.133 20 0 DBADRM CCC(=O)N1CCC[C@H]1CN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001001982481 678964302 /nfs/dbraw/zinc/96/43/02/678964302.db2.gz QVGLJRMJJAJFBP-JTQLQIEISA-N -1 0 322.365 -0.041 20 0 DBADRM CC(=O)N1CCC[C@@H]1CN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001001992266 678964881 /nfs/dbraw/zinc/96/48/81/678964881.db2.gz XREIOLGMXWTBPV-SNVBAGLBSA-N -1 0 308.338 -0.431 20 0 DBADRM CCn1ncc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001002755126 678999783 /nfs/dbraw/zinc/99/97/83/678999783.db2.gz DVAGXYUIXHXCGL-UHFFFAOYSA-N -1 0 320.357 -0.484 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1CC1 ZINC001002764217 679000683 /nfs/dbraw/zinc/00/06/83/679000683.db2.gz KNNDFZWUEINTAO-JTQLQIEISA-N -1 0 323.353 -0.451 20 0 DBADRM O=C(C[C@H]1CCNC1=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002996594 679015763 /nfs/dbraw/zinc/01/57/63/679015763.db2.gz ABMDZNBARZDBGO-SECBINFHSA-N -1 0 322.369 -0.883 20 0 DBADRM COCC(=O)N1CCC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001040559418 679022610 /nfs/dbraw/zinc/02/26/10/679022610.db2.gz PUPFMFWKMPWQDU-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM COCC(=O)N1CC(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001003317166 679033404 /nfs/dbraw/zinc/03/34/04/679033404.db2.gz MVIFFJZHQIPUIR-UHFFFAOYSA-N -1 0 320.305 -0.237 20 0 DBADRM CC(C)(C)C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003392281 679037352 /nfs/dbraw/zinc/03/73/52/679037352.db2.gz VTHNMFKZRQQDII-UHFFFAOYSA-N -1 0 309.326 -0.483 20 0 DBADRM CC(C)(C)CC(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003393425 679037452 /nfs/dbraw/zinc/03/74/52/679037452.db2.gz JQQRESRUCMPYHO-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM O=C(NCC1CN(C(=O)C2CCCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001003394131 679037639 /nfs/dbraw/zinc/03/76/39/679037639.db2.gz UVCOKSSZSBUAAO-UHFFFAOYSA-N -1 0 321.337 -0.339 20 0 DBADRM C/C=C(/C)C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003394720 679037844 /nfs/dbraw/zinc/03/78/44/679037844.db2.gz ZCCFZXLRBFYRHB-CLTKARDFSA-N -1 0 307.310 -0.563 20 0 DBADRM O=C(NCC1CN(C(=O)[C@@H]2CC23CC3)C1)c1n[nH]c(=O)[n-]c1=O ZINC001003392537 679037951 /nfs/dbraw/zinc/03/79/51/679037951.db2.gz ZAZFFOIIWPNGCE-QMMMGPOBSA-N -1 0 319.321 -0.729 20 0 DBADRM CN1CC[C@H](C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1=O ZINC001003463442 679042209 /nfs/dbraw/zinc/04/22/09/679042209.db2.gz GKJRGUOISSRAIN-SNVBAGLBSA-N -1 0 322.369 -0.931 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003455113 679042282 /nfs/dbraw/zinc/04/22/82/679042282.db2.gz VJQDBIHNHFVRNB-JTQLQIEISA-N -1 0 322.369 -0.788 20 0 DBADRM C[C@H]1CC[N@H+](CC(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001003626963 679054804 /nfs/dbraw/zinc/05/48/04/679054804.db2.gz YNIDQPFDLSBRPE-NSHDSACASA-N -1 0 322.413 -0.067 20 0 DBADRM CN(C(=O)c1cnccn1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032882722 679072759 /nfs/dbraw/zinc/07/27/59/679072759.db2.gz FZYYREBQLBAXNH-VIFPVBQESA-N -1 0 303.326 -0.353 20 0 DBADRM Cc1cc(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001032929910 679082179 /nfs/dbraw/zinc/08/21/79/679082179.db2.gz CHKYIQWTWQWPMV-SECBINFHSA-N -1 0 305.342 -0.112 20 0 DBADRM CN(C(=O)c1ccnn1C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032945751 679085100 /nfs/dbraw/zinc/08/51/00/679085100.db2.gz QRXKZMKBZYPYRP-SECBINFHSA-N -1 0 305.342 -0.410 20 0 DBADRM CN(C(=O)C[C@H]1CCOC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032967462 679089322 /nfs/dbraw/zinc/08/93/22/679089322.db2.gz MDGHTILVHWXZQN-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1c(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nnn1C ZINC001032983770 679095277 /nfs/dbraw/zinc/09/52/77/679095277.db2.gz DBFSVWRAPWYLGO-VIFPVBQESA-N -1 0 320.357 -0.706 20 0 DBADRM CC[C@@H](C(N)=O)N1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001033017297 679099246 /nfs/dbraw/zinc/09/92/46/679099246.db2.gz UYVNVINNLDZNLH-ZJUUUORDSA-N -1 0 309.370 -0.166 20 0 DBADRM CN(C(=O)C[C@@H]1COC(=O)C1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033009843 679099277 /nfs/dbraw/zinc/09/92/77/679099277.db2.gz JNIXDQZLHNEWAO-UWVGGRQHSA-N -1 0 323.353 -0.504 20 0 DBADRM CNC(=O)[C@H](C)N1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001033014475 679099977 /nfs/dbraw/zinc/09/99/77/679099977.db2.gz LIIALRFJYKLPPH-UWVGGRQHSA-N -1 0 309.370 -0.295 20 0 DBADRM CN(C(=O)c1cnn(C)c1N)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033025661 679103019 /nfs/dbraw/zinc/10/30/19/679103019.db2.gz OSEGNQXBRIGFCJ-QMMMGPOBSA-N -1 0 320.357 -0.828 20 0 DBADRM CN(C(=O)C1=CCOCC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033029513 679105275 /nfs/dbraw/zinc/10/52/75/679105275.db2.gz PLVBMOCVEZJXGA-NSHDSACASA-N -1 0 307.354 -0.110 20 0 DBADRM Cc1ccnc(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001033046848 679111572 /nfs/dbraw/zinc/11/15/72/679111572.db2.gz LCFJASXKRJFHNX-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1(C)CC=CC1 ZINC001295580419 805572477 /nfs/dbraw/zinc/57/24/77/805572477.db2.gz GBDHHEYNESCDBJ-QMMMGPOBSA-N -1 0 321.337 -0.126 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1(C)CC=CC1 ZINC001295580418 805572835 /nfs/dbraw/zinc/57/28/35/805572835.db2.gz GBDHHEYNESCDBJ-MRVPVSSYSA-N -1 0 321.337 -0.126 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@]2(C)CCNC2=O)c1[O-] ZINC001295653517 805581103 /nfs/dbraw/zinc/58/11/03/805581103.db2.gz ORXDSIKCUGADCC-NXSYQRQQSA-N -1 0 323.353 -0.816 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)CCOCC)CC1=O ZINC000842304797 805589530 /nfs/dbraw/zinc/58/95/30/805589530.db2.gz LXJVJEVDKUOHNH-JTQLQIEISA-N -1 0 306.384 -0.273 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)C1SCCCS1 ZINC000842312213 805589620 /nfs/dbraw/zinc/58/96/20/805589620.db2.gz DMSAMDLDUGSPDS-UHFFFAOYSA-N -1 0 312.438 -0.124 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)N(C)C(C)C)CC1=O ZINC000842302308 805589728 /nfs/dbraw/zinc/58/97/28/805589728.db2.gz KBEKTBJIZSDODO-JTQLQIEISA-N -1 0 305.400 -0.054 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)C(=O)OC(C)(C)C ZINC000842303913 805589771 /nfs/dbraw/zinc/58/97/71/805589771.db2.gz RSOLICFNCNBOFS-ZETCQYMHSA-N -1 0 309.340 -0.417 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)N2CCCC2)CC1=O ZINC000842293888 805589780 /nfs/dbraw/zinc/58/97/80/805589780.db2.gz XKDAXROUKDPXOT-SNVBAGLBSA-N -1 0 303.384 -0.298 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCc2ccccc2O1 ZINC000842304009 805589789 /nfs/dbraw/zinc/58/97/89/805589789.db2.gz COFWVXOCQGRQFK-LLVKDONJSA-N -1 0 313.331 -0.001 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C1SCCS1 ZINC000842319297 805590011 /nfs/dbraw/zinc/59/00/11/805590011.db2.gz NUVZTSHDIZEZDD-UHFFFAOYSA-N -1 0 300.427 -0.268 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)C(=O)OC(C)(C)C ZINC000842332537 805590519 /nfs/dbraw/zinc/59/05/19/805590519.db2.gz WOUFZFDXILXGRY-QMMMGPOBSA-N -1 0 323.367 -0.027 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000842356099 805590680 /nfs/dbraw/zinc/59/06/80/805590680.db2.gz RCQGVKLOQVERAV-MRVPVSSYSA-N -1 0 323.367 -0.027 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)C1(F)CC1 ZINC000842710127 805597050 /nfs/dbraw/zinc/59/70/50/805597050.db2.gz DHHWCEHORTWSCI-QMMMGPOBSA-N -1 0 308.331 -0.123 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000842715959 805598078 /nfs/dbraw/zinc/59/80/78/805598078.db2.gz JEOXISLYFGHPIL-VIFPVBQESA-N -1 0 323.367 -0.420 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cn(C2CCC2)nn1 ZINC000842723358 805598121 /nfs/dbraw/zinc/59/81/21/805598121.db2.gz UEYXLUPMVNFHBI-UHFFFAOYSA-N -1 0 315.355 -0.690 20 0 DBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)c3cnccn3)(C1)C2 ZINC000842734719 805598142 /nfs/dbraw/zinc/59/81/42/805598142.db2.gz KEHXGICUJFVENJ-UHFFFAOYSA-N -1 0 311.319 -0.375 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@H]1CCc2ncncc2C1 ZINC000842716462 805598363 /nfs/dbraw/zinc/59/83/63/805598363.db2.gz OWJUSEFPOAOWBM-ONGXEEELSA-N -1 0 311.363 -0.184 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)C12CC(C(=O)OC)(C1)C2 ZINC000842717310 805598510 /nfs/dbraw/zinc/59/85/10/805598510.db2.gz XFYLTMMCJOTUHT-RKWZHAFESA-N -1 0 305.352 -0.189 20 0 DBADRM CCn1ccc(C(=O)[N-]S(=O)(=O)CCOCCOC)n1 ZINC000842739811 805599455 /nfs/dbraw/zinc/59/94/55/805599455.db2.gz HDPPNKODJMIYCE-UHFFFAOYSA-N -1 0 305.356 -0.374 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCc1ccnc(C)n1 ZINC000842735880 805599416 /nfs/dbraw/zinc/59/94/16/805599416.db2.gz USJOYJJTMXVEOT-UHFFFAOYSA-N -1 0 316.383 -0.343 20 0 DBADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C(=O)OC(C)(C)C ZINC000842752950 805599575 /nfs/dbraw/zinc/59/95/75/805599575.db2.gz AISZBUNIZRJBIL-VIFPVBQESA-N -1 0 322.383 -0.468 20 0 DBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)C[C@@H]3CCOC3)(C1)C2 ZINC000842746144 805599613 /nfs/dbraw/zinc/59/96/13/805599613.db2.gz BOHGGENRRQOLEP-UHEGKEBESA-N -1 0 317.363 -0.188 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000842763626 805599943 /nfs/dbraw/zinc/59/99/43/805599943.db2.gz ATOJHKMUBPEQHX-JTQLQIEISA-N -1 0 323.349 -0.199 20 0 DBADRM CCCCCC(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001296006113 805602013 /nfs/dbraw/zinc/60/20/13/805602013.db2.gz VHQUZIBPUMLKAM-UHFFFAOYSA-N -1 0 313.358 -0.156 20 0 DBADRM CN(Cc1cccc(C(N)=O)c1)C(=O)C(=O)NCCCC(=O)[O-] ZINC000843259496 805613096 /nfs/dbraw/zinc/61/30/96/805613096.db2.gz NEEFNSBCZFZKHR-UHFFFAOYSA-N -1 0 321.333 -0.275 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCCOc2cccnc2)C1 ZINC000843258042 805613306 /nfs/dbraw/zinc/61/33/06/805613306.db2.gz WZZCEIXRJVYWNP-MNOVXSKESA-N -1 0 321.333 -0.054 20 0 DBADRM Cn1ccc(CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)n1 ZINC000843256425 805613381 /nfs/dbraw/zinc/61/33/81/805613381.db2.gz FHHYXYMIBVHMDD-UHFFFAOYSA-N -1 0 308.338 -0.250 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)O1 ZINC000843257916 805613701 /nfs/dbraw/zinc/61/37/01/805613701.db2.gz WGXORIANSNMFJW-IVZWLZJFSA-N -1 0 314.338 -0.376 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCc2ccnn2C)C[C@@H]1C(=O)[O-] ZINC000843257709 805613725 /nfs/dbraw/zinc/61/37/25/805613725.db2.gz SXDFSEYFSCNTCW-PWSUYJOCSA-N -1 0 322.365 -0.352 20 0 DBADRM CC[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)CCS(C)(=O)=O ZINC000843296795 805616948 /nfs/dbraw/zinc/61/69/48/805616948.db2.gz CAEMEXZICSNXTM-IUCAKERBSA-N -1 0 313.397 -0.312 20 0 DBADRM Cn1nccc1[C@@H](NS(=O)(=O)C[C@@H]1CCCOC1)C(=O)[O-] ZINC000843304865 805617043 /nfs/dbraw/zinc/61/70/43/805617043.db2.gz QNRXAOKUCJNYQI-MWLCHTKSSA-N -1 0 317.367 -0.108 20 0 DBADRM O=C([O-])COCC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000843333365 805618260 /nfs/dbraw/zinc/61/82/60/805618260.db2.gz YDXREBRRSQLTSF-ZWNOBZJWSA-N -1 0 301.339 -0.229 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000843339223 805619196 /nfs/dbraw/zinc/61/91/96/805619196.db2.gz YLLONICPYMFVCJ-NXEZZACHSA-N -1 0 312.351 -0.417 20 0 DBADRM Cc1nnc(NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)n1C ZINC001296281558 805624505 /nfs/dbraw/zinc/62/45/05/805624505.db2.gz CBGOXXXTQSBUOH-UHFFFAOYSA-N -1 0 315.293 -0.045 20 0 DBADRM C/C=C(/C)C(=O)N1CCC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001296454795 805635718 /nfs/dbraw/zinc/63/57/18/805635718.db2.gz VXCZDRGBVFZOFU-KSXVILFYSA-N -1 0 323.353 -0.237 20 0 DBADRM O=C(CNS(=O)(=O)c1ccc(Cl)cc1)[N-]OCCO ZINC000843859984 805637632 /nfs/dbraw/zinc/63/76/32/805637632.db2.gz WRMILLNCSCTURZ-UHFFFAOYSA-N -1 0 308.743 -0.342 20 0 DBADRM CSc1cccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC000843863989 805637999 /nfs/dbraw/zinc/63/79/99/805637999.db2.gz ARETUSSNGFVKIM-UHFFFAOYSA-N -1 0 317.392 -0.001 20 0 DBADRM O=C(NC[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cc(=O)[nH][n-]1 ZINC000843946584 805638846 /nfs/dbraw/zinc/63/88/46/805638846.db2.gz ICXPOTDAQYKIET-MRVPVSSYSA-N -1 0 323.330 -0.787 20 0 DBADRM CO[C@]1(C(=O)NCCc2n[n-]c(=S)o2)CCS(=O)(=O)C1 ZINC001296733438 805648211 /nfs/dbraw/zinc/64/82/11/805648211.db2.gz DYHVMLYOTHQQAR-SNVBAGLBSA-N -1 0 321.380 -0.779 20 0 DBADRM CC[C@@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000844159075 805650181 /nfs/dbraw/zinc/65/01/81/805650181.db2.gz REQDWJSWLISGEN-QMMMGPOBSA-N -1 0 307.310 -0.643 20 0 DBADRM O=C(CN1CCn2nnc(CO)c2C1)[N-]OCc1ccccc1 ZINC000844333666 805658436 /nfs/dbraw/zinc/65/84/36/805658436.db2.gz PBJWQKCJWCMRND-UHFFFAOYSA-N -1 0 317.349 -0.166 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000844243824 805654316 /nfs/dbraw/zinc/65/43/16/805654316.db2.gz KYKXLLDKOINPKX-SNVBAGLBSA-N -1 0 306.384 -0.117 20 0 DBADRM COCCCN(C(=O)COCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000844248825 805655101 /nfs/dbraw/zinc/65/51/01/805655101.db2.gz GHYJFZUBVSAKBK-JTQLQIEISA-N -1 0 323.367 -0.860 20 0 DBADRM O=C([O-])COCC(=O)NC[C@@H](O)COc1cccc(F)c1 ZINC000844251292 805655225 /nfs/dbraw/zinc/65/52/25/805655225.db2.gz HGPVGTUOLJYVIM-SNVBAGLBSA-N -1 0 301.270 -0.217 20 0 DBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)COCC(=O)[O-])C1 ZINC000844246997 805655415 /nfs/dbraw/zinc/65/54/15/805655415.db2.gz FVFFMKGDUDOGNL-GHMZBOCLSA-N -1 0 316.354 -0.523 20 0 DBADRM CS(=O)(=O)NCc1ccc(NC(=O)COCC(=O)[O-])cc1 ZINC000844253612 805655420 /nfs/dbraw/zinc/65/54/20/805655420.db2.gz DGAGGLTXOQLFAW-UHFFFAOYSA-N -1 0 316.335 -0.225 20 0 DBADRM COc1cc(OC)cc([C@H](O)CNC(=O)COCC(=O)[O-])c1 ZINC000844251667 805655428 /nfs/dbraw/zinc/65/54/28/805655428.db2.gz YEHOKJYISQLOKI-GFCCVEGCSA-N -1 0 313.306 -0.045 20 0 DBADRM O=C([O-])CCCC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000844246935 805655472 /nfs/dbraw/zinc/65/54/72/805655472.db2.gz AWVFGGKQQQPQTK-UHFFFAOYSA-N -1 0 311.338 -0.809 20 0 DBADRM O=C([O-])COCC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000844250429 805655640 /nfs/dbraw/zinc/65/56/40/805655640.db2.gz SDSOOJUIAZELJC-ZJUUUORDSA-N -1 0 305.352 -0.344 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)[C@H](C(=O)[O-])C(C)C)CC1 ZINC000844255643 805656306 /nfs/dbraw/zinc/65/63/06/805656306.db2.gz XFQVWLFMAQIQER-SNVBAGLBSA-N -1 0 314.338 -0.423 20 0 DBADRM CCO[C@@H]1C[C@@](NC(=O)COCC(=O)[O-])(C(=O)OC)C1(C)C ZINC000844255091 805656341 /nfs/dbraw/zinc/65/63/41/805656341.db2.gz LABWENSFSGISPM-YMTOWFKASA-N -1 0 317.338 -0.049 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1 ZINC000844295469 805656534 /nfs/dbraw/zinc/65/65/34/805656534.db2.gz CAPDSXVNHXZGQS-CIUDSAMLSA-N -1 0 323.346 -0.773 20 0 DBADRM Cn1cc(C=O)cc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001296955743 805657816 /nfs/dbraw/zinc/65/78/16/805657816.db2.gz ICYABJDACVQYSS-UHFFFAOYSA-N -1 0 304.310 -0.526 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1cc(C(=O)N(C)C)ccn1 ZINC000844618511 805665736 /nfs/dbraw/zinc/66/57/36/805665736.db2.gz TVLKVPGLXQPLQT-UHFFFAOYSA-N -1 0 309.326 -0.027 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC000844787750 805671570 /nfs/dbraw/zinc/67/15/70/805671570.db2.gz ZDTCHOMZBZSCSJ-SECBINFHSA-N -1 0 318.355 -0.637 20 0 DBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844786352 805672259 /nfs/dbraw/zinc/67/22/59/805672259.db2.gz WYYJETLQTASYCW-ZETCQYMHSA-N -1 0 312.706 -0.012 20 0 DBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844786338 805672348 /nfs/dbraw/zinc/67/23/48/805672348.db2.gz WYYJETLQTASYCW-SSDOTTSWSA-N -1 0 312.706 -0.012 20 0 DBADRM CC(C)N(C)S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000844818301 805673224 /nfs/dbraw/zinc/67/32/24/805673224.db2.gz VYPACGRRAXFHAJ-VIFPVBQESA-N -1 0 302.356 -0.353 20 0 DBADRM COC(C)(C)CS(=O)(=O)N[C@H](Cc1ccncn1)C(=O)[O-] ZINC000844803886 805673448 /nfs/dbraw/zinc/67/34/48/805673448.db2.gz JSFVJHFXAUQHSM-SNVBAGLBSA-N -1 0 317.367 -0.183 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(C(=O)/C=C\C2CC2)C1 ZINC001297242427 805691266 /nfs/dbraw/zinc/69/12/66/805691266.db2.gz VZVWDJJMGSUNRT-ARJAWSKDSA-N -1 0 321.337 -0.770 20 0 DBADRM CCn1ccc(CC(=O)[N-]S(=O)(=O)N(C)CCOC)n1 ZINC000845482823 805706481 /nfs/dbraw/zinc/70/64/81/805706481.db2.gz IKIXSRKJWHGMKV-UHFFFAOYSA-N -1 0 304.372 -0.615 20 0 DBADRM CCn1ccc(CC(=O)[N-]S(=O)(=O)CCCC(=O)OC)n1 ZINC000845470297 805705192 /nfs/dbraw/zinc/70/51/92/805705192.db2.gz AXBFIUJYLVRKDT-UHFFFAOYSA-N -1 0 317.367 -0.155 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]S(=O)(=O)CC1CC1 ZINC000845468875 805705427 /nfs/dbraw/zinc/70/54/27/805705427.db2.gz GSKDNZCOLUWUAP-UHFFFAOYSA-N -1 0 314.367 -0.763 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)C[C@H](OC)C(F)(F)F ZINC000845500995 805707033 /nfs/dbraw/zinc/70/70/33/805707033.db2.gz APEZOZDRQJMNCX-LURJTMIESA-N -1 0 321.273 -0.037 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC1CCC(C(=O)NC)CC1 ZINC000845541385 805712828 /nfs/dbraw/zinc/71/28/28/805712828.db2.gz UDXYSLLPRGVKPM-UHFFFAOYSA-N -1 0 300.359 -0.342 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000845532513 805709262 /nfs/dbraw/zinc/70/92/62/805709262.db2.gz OKXPPSTZZAFBTO-UHFFFAOYSA-N -1 0 307.372 -0.727 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@H](CS(C)(=O)=O)C1 ZINC000845531190 805709818 /nfs/dbraw/zinc/70/98/18/805709818.db2.gz AVBCBSYKVIVWPZ-VIFPVBQESA-N -1 0 307.372 -0.870 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCOCC2(CCOCC2)C1 ZINC000845541412 805712934 /nfs/dbraw/zinc/71/29/34/805712934.db2.gz UVSZHNWLRFBJBX-UHFFFAOYSA-N -1 0 315.370 -0.107 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[S@@](=O)C(C)(C)CC1 ZINC000845535953 805710443 /nfs/dbraw/zinc/71/04/43/805710443.db2.gz YYQBGRKMAUMFKN-HXUWFJFHSA-N -1 0 305.400 -0.003 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000845536113 805710465 /nfs/dbraw/zinc/71/04/65/805710465.db2.gz NNVPJHCWDHWPQG-UHFFFAOYSA-N -1 0 301.347 -0.937 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000845534476 805710480 /nfs/dbraw/zinc/71/04/80/805710480.db2.gz DNHCRLWDJOUMIC-UHFFFAOYSA-N -1 0 307.372 -0.679 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000845533822 805711075 /nfs/dbraw/zinc/71/10/75/805711075.db2.gz WDDHJGNFMVPJNP-LLVKDONJSA-N -1 0 312.370 -0.292 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000845534599 805711209 /nfs/dbraw/zinc/71/12/09/805711209.db2.gz IEZHUTXLPOMHLN-CYBMUJFWSA-N -1 0 301.343 -0.355 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@]1(O)C[C@H](OCC)C1(C)C ZINC000845537947 805711907 /nfs/dbraw/zinc/71/19/07/805711907.db2.gz JGBAWKXOCKNNQD-IINYFYTJSA-N -1 0 317.386 -0.081 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000845537009 805712294 /nfs/dbraw/zinc/71/22/94/805712294.db2.gz DLONRYOVSVGLDU-UHFFFAOYSA-N -1 0 321.381 -0.024 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCc2nn(CC)c(=O)cc2C1 ZINC000845543577 805713263 /nfs/dbraw/zinc/71/32/63/805713263.db2.gz IBTVYQOPNWLLOG-UHFFFAOYSA-N -1 0 323.353 -0.601 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000845543548 805713350 /nfs/dbraw/zinc/71/33/50/805713350.db2.gz HYALVBZKFOGJEE-MNOVXSKESA-N -1 0 301.343 -0.357 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000845543541 805713407 /nfs/dbraw/zinc/71/34/07/805713407.db2.gz HYALVBZKFOGJEE-GHMZBOCLSA-N -1 0 301.343 -0.357 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCC[C@H]1C1OCCO1 ZINC000845546598 805714468 /nfs/dbraw/zinc/71/44/68/805714468.db2.gz WKDUHKPUEREPCF-JTQLQIEISA-N -1 0 301.343 -0.009 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000845546888 805714542 /nfs/dbraw/zinc/71/45/42/805714542.db2.gz FSZAOTKQNFEORQ-QWRGUYRKSA-N -1 0 302.375 -0.538 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCN1C(=O)Cc2ccccc21 ZINC000845548333 805714566 /nfs/dbraw/zinc/71/45/66/805714566.db2.gz GNXPNQNKQVBKGF-UHFFFAOYSA-N -1 0 320.349 -0.057 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCCOC[C@@H]1CCCO1 ZINC000845552273 805715330 /nfs/dbraw/zinc/71/53/30/805715330.db2.gz KQTCYNZLHRMEPO-NSHDSACASA-N -1 0 303.359 -0.061 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(c2ncccn2)CC1 ZINC000845552417 805715811 /nfs/dbraw/zinc/71/58/11/805715811.db2.gz FWNNXPSIPQCRLG-UHFFFAOYSA-N -1 0 308.342 -0.624 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000845553487 805715898 /nfs/dbraw/zinc/71/58/98/805715898.db2.gz VRQWKJCQLNXOSV-GFCCVEGCSA-N -1 0 316.402 -0.290 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000845576730 805719770 /nfs/dbraw/zinc/71/97/70/805719770.db2.gz RBGGYWJIYAOCGV-UHFFFAOYSA-N -1 0 316.383 -0.304 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)C(C)(C)CNC(C)=O)CC1 ZINC000845579481 805719781 /nfs/dbraw/zinc/71/97/81/805719781.db2.gz SMKYJBHCMZCLOD-UHFFFAOYSA-N -1 0 306.384 -0.226 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)C[C@@H](OC)C(F)(F)F ZINC000845570223 805720012 /nfs/dbraw/zinc/72/00/12/805720012.db2.gz VCPFLZFTNDVTEH-ZCFIWIBFSA-N -1 0 321.273 -0.037 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)C[C@H](C)n1ccnc1 ZINC000845568681 805720230 /nfs/dbraw/zinc/72/02/30/805720230.db2.gz DDURGDYTDGGGHB-VIFPVBQESA-N -1 0 303.340 -0.157 20 0 DBADRM CC(C)=CC(=O)N(C)CCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001298028659 805740582 /nfs/dbraw/zinc/74/05/82/805740582.db2.gz PQHBODAELKGNRI-UHFFFAOYSA-N -1 0 322.365 -0.018 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000846001672 805739163 /nfs/dbraw/zinc/73/91/63/805739163.db2.gz DOVQGTNIKVBHJL-UHFFFAOYSA-N -1 0 314.323 -0.386 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)N1CCc2ccccc2C1 ZINC000846003098 805740310 /nfs/dbraw/zinc/74/03/10/805740310.db2.gz VFDVXVFZLSQMKU-UHFFFAOYSA-N -1 0 313.379 -0.053 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1csc(C(=O)OC)c1 ZINC000846003440 805740350 /nfs/dbraw/zinc/74/03/50/805740350.db2.gz BAQPLCGOIBUTNP-UHFFFAOYSA-N -1 0 322.364 -0.119 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000846132758 805745052 /nfs/dbraw/zinc/74/50/52/805745052.db2.gz BNZVEESZZMOMDC-SECBINFHSA-N -1 0 323.353 -0.024 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cnc(CC(C)C)nc1 ZINC000846132461 805745338 /nfs/dbraw/zinc/74/53/38/805745338.db2.gz DPUKUKWKLDFJMC-UHFFFAOYSA-N -1 0 323.353 -0.203 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000846133536 805745598 /nfs/dbraw/zinc/74/55/98/805745598.db2.gz URNLAAKHLPRGTQ-UHFFFAOYSA-N -1 0 309.326 -0.585 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(COC)cc1 ZINC000846133831 805746067 /nfs/dbraw/zinc/74/60/67/805746067.db2.gz ZHYSXPNTQYYWKP-UHFFFAOYSA-N -1 0 309.322 -0.045 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000846133615 805746458 /nfs/dbraw/zinc/74/64/58/805746458.db2.gz WDYNCIAZZCSHEQ-VIFPVBQESA-N -1 0 323.353 -0.024 20 0 DBADRM CCOCCC(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001298156574 805753372 /nfs/dbraw/zinc/75/33/72/805753372.db2.gz FBJQNXZSSVBKPD-SECBINFHSA-N -1 0 314.342 -0.943 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cn1c(C)nc2ccccc2c1=O ZINC000846489673 805756777 /nfs/dbraw/zinc/75/67/77/805756777.db2.gz DQKLQAQJEGMNOL-UHFFFAOYSA-N -1 0 318.333 -0.111 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000846492888 805757002 /nfs/dbraw/zinc/75/70/02/805757002.db2.gz GFQTUGJJICCHDA-VXGBXAGGSA-N -1 0 322.321 -0.859 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNC(=O)c1ccccc1OC ZINC000846496550 805757883 /nfs/dbraw/zinc/75/78/83/805757883.db2.gz DOGNBYVRWRSMEA-UHFFFAOYSA-N -1 0 309.322 -0.391 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CCOc1cccc(C(N)=O)c1 ZINC000846494694 805757895 /nfs/dbraw/zinc/75/78/95/805757895.db2.gz VBNVWJHQKDIKLP-UHFFFAOYSA-N -1 0 309.322 -0.262 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000846497658 805758032 /nfs/dbraw/zinc/75/80/32/805758032.db2.gz WHYUFVGLGTVWNU-UHFFFAOYSA-N -1 0 320.305 -0.714 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CCOc1ccc(C(N)=O)cc1 ZINC000846493815 805758058 /nfs/dbraw/zinc/75/80/58/805758058.db2.gz HDHBQUQOTHUMIL-UHFFFAOYSA-N -1 0 309.322 -0.262 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(S(N)(=O)=O)s1 ZINC000846495770 805758407 /nfs/dbraw/zinc/75/84/07/805758407.db2.gz DUWWOWLGSNVOPB-UHFFFAOYSA-N -1 0 307.353 -0.807 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000846499341 805759256 /nfs/dbraw/zinc/75/92/56/805759256.db2.gz OPBUUXVCTHBAPH-UHFFFAOYSA-N -1 0 323.305 -0.671 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000846499029 805759381 /nfs/dbraw/zinc/75/93/81/805759381.db2.gz JEVXXFDUNFRBQZ-UHFFFAOYSA-N -1 0 315.351 -0.608 20 0 DBADRM CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)c1cc(=O)[nH][n-]1 ZINC000846516754 805761788 /nfs/dbraw/zinc/76/17/88/805761788.db2.gz KPRPFLGWQRRPBO-SNVBAGLBSA-N -1 0 311.338 -0.131 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ccsn1 ZINC001035413065 814924690 /nfs/dbraw/zinc/92/46/90/814924690.db2.gz ZYZHAGUSCOFRDV-QMMMGPOBSA-N -1 0 324.366 -0.402 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cn1c2ccccc2c(=O)[nH]c1=O ZINC000846661811 805769624 /nfs/dbraw/zinc/76/96/24/805769624.db2.gz NXFZXJGNEFNLAM-UHFFFAOYSA-N -1 0 320.305 -0.714 20 0 DBADRM O=C(Nn1ccnn1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001298237211 805770165 /nfs/dbraw/zinc/77/01/65/805770165.db2.gz LNKUOGXRWTYYQD-UHFFFAOYSA-N -1 0 316.252 -0.151 20 0 DBADRM O=C([O-])C[C@H]1CCCCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC000846713208 805772193 /nfs/dbraw/zinc/77/21/93/805772193.db2.gz OYZCGUJVSXJJPJ-SNVBAGLBSA-N -1 0 309.322 -0.218 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000846713499 805772641 /nfs/dbraw/zinc/77/26/41/805772641.db2.gz GLDRIUDCAGVGEN-VQCYPWCPSA-N -1 0 309.322 -0.581 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC000846725882 805773684 /nfs/dbraw/zinc/77/36/84/805773684.db2.gz XDTDVFAYBIVGKQ-UWVGGRQHSA-N -1 0 319.383 -0.585 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)[C@H]2CCOC2)c1[O-] ZINC001298296404 805780968 /nfs/dbraw/zinc/78/09/68/805780968.db2.gz UTBSEOXZKRWOMA-PBKGFPTLSA-N -1 0 308.338 -0.138 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000847389981 805797446 /nfs/dbraw/zinc/79/74/46/805797446.db2.gz VENNRPKNAWVXOM-VIFPVBQESA-N -1 0 300.315 -0.664 20 0 DBADRM COc1cnc(F)c(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1 ZINC000847473285 805802330 /nfs/dbraw/zinc/80/23/30/805802330.db2.gz RCWZBOSWSFDZLE-SECBINFHSA-N -1 0 308.273 -0.044 20 0 DBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2cccs2)c(=O)n1C ZINC000847618144 805810012 /nfs/dbraw/zinc/81/00/12/805810012.db2.gz FXWAYVQUOIRDNZ-UHFFFAOYSA-N -1 0 316.364 -0.543 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1scc2c1OCCO2 ZINC000847644549 805810666 /nfs/dbraw/zinc/81/06/66/805810666.db2.gz PROMFNMUUOTZQG-UHFFFAOYSA-N -1 0 321.332 -0.248 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccn(C(C)(C)C)n1 ZINC000847645133 805810677 /nfs/dbraw/zinc/81/06/77/805810677.db2.gz VXDRZWAWKQSBDI-UHFFFAOYSA-N -1 0 303.340 -0.129 20 0 DBADRM CCC(CC)CS(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC000847645497 805811285 /nfs/dbraw/zinc/81/12/85/805811285.db2.gz WRIYMBVVWJKHHI-UHFFFAOYSA-N -1 0 318.399 -0.228 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1ccc2c(n1)OCCO2 ZINC000847682544 805811488 /nfs/dbraw/zinc/81/14/88/805811488.db2.gz FCWCAULBOICOPU-UHFFFAOYSA-N -1 0 324.318 -0.295 20 0 DBADRM CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995536 805818848 /nfs/dbraw/zinc/81/88/48/805818848.db2.gz HEYJMOGUAABTDP-FSPLSTOPSA-N -1 0 303.296 -0.997 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc2c(n1)OCCO2 ZINC000847694675 805813040 /nfs/dbraw/zinc/81/30/40/805813040.db2.gz NOMNSVRKAAEUHL-MRVPVSSYSA-N -1 0 316.335 -0.053 20 0 DBADRM CCC1(S(=O)(=O)[N-]C(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC000847718806 805813806 /nfs/dbraw/zinc/81/38/06/805813806.db2.gz AQOXNZACSDPELD-UHFFFAOYSA-N -1 0 302.356 -0.721 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cnc(N(C)C)cn2)CC1 ZINC000847713335 805813899 /nfs/dbraw/zinc/81/38/99/805813899.db2.gz QJMKSIUQCFDWNF-UHFFFAOYSA-N -1 0 314.367 -0.219 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)CC1 ZINC000847846283 805815983 /nfs/dbraw/zinc/81/59/83/805815983.db2.gz LXEPRVNTWGZMTP-UHFFFAOYSA-N -1 0 315.351 -0.291 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1)C(=O)C1CC1 ZINC000847846149 805815994 /nfs/dbraw/zinc/81/59/94/805815994.db2.gz JKVMLKZGLYYSTR-UHFFFAOYSA-N -1 0 314.367 -0.766 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000847846929 805816054 /nfs/dbraw/zinc/81/60/54/805816054.db2.gz YKKUUFKMGJTHLO-UHFFFAOYSA-N -1 0 317.367 -0.045 20 0 DBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)c(=O)c1 ZINC000847849091 805816240 /nfs/dbraw/zinc/81/62/40/805816240.db2.gz RWZARXGBYJEYPH-UHFFFAOYSA-N -1 0 324.362 -0.464 20 0 DBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2cn(C3CCC3)nn2)cn1 ZINC000847848249 805816608 /nfs/dbraw/zinc/81/66/08/805816608.db2.gz KRMAKABNVYDJNL-UHFFFAOYSA-N -1 0 324.366 -0.004 20 0 DBADRM COc1ncc(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)cn1 ZINC000847846481 805816806 /nfs/dbraw/zinc/81/68/06/805816806.db2.gz MXSDQTCZWBGFHX-UHFFFAOYSA-N -1 0 311.323 -0.522 20 0 DBADRM Cc1cnc2cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccn12 ZINC000847886485 805817001 /nfs/dbraw/zinc/81/70/01/805817001.db2.gz DZCJPENEDDXLOF-UHFFFAOYSA-N -1 0 324.362 -0.162 20 0 DBADRM C[C@@H]1C[C@@H](C)[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)O1 ZINC000847998086 805819741 /nfs/dbraw/zinc/81/97/41/805819741.db2.gz LBYBXOBXANMRDO-KCRUCZTKSA-N -1 0 317.323 -0.608 20 0 DBADRM COC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998111 805819878 /nfs/dbraw/zinc/81/98/78/805819878.db2.gz LDNWAFKEAWZXHE-NKWVEPMBSA-N -1 0 319.339 -0.503 20 0 DBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)C(C)(F)F ZINC000847997849 805820094 /nfs/dbraw/zinc/82/00/94/805820094.db2.gz CELFDJZOEBVHIB-SCSAIBSYSA-N -1 0 311.266 -0.130 20 0 DBADRM COC(=O)N1CCC(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000848607804 805842042 /nfs/dbraw/zinc/84/20/42/805842042.db2.gz JMQHDHFXNUQXJW-QMMMGPOBSA-N -1 0 315.326 -0.830 20 0 DBADRM CNC(=O)c1ccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000848607250 805842300 /nfs/dbraw/zinc/84/23/00/805842300.db2.gz VQRAWBITZCQABW-SECBINFHSA-N -1 0 321.333 -0.501 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000848608925 805842575 /nfs/dbraw/zinc/84/25/75/805842575.db2.gz CQSVFTYYJFSRMI-VIFPVBQESA-N -1 0 300.311 -0.811 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC(=O)N(C)C[C@H]1C)C(=O)[O-] ZINC000848611099 805842927 /nfs/dbraw/zinc/84/29/27/805842927.db2.gz YYKBETFGXCAXHI-ZJUUUORDSA-N -1 0 313.354 -0.852 20 0 DBADRM COC(=O)N1CC(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000848612077 805843049 /nfs/dbraw/zinc/84/30/49/805843049.db2.gz VIIBHEKHYUORHE-VIFPVBQESA-N -1 0 315.326 -0.974 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1COC(C)(C)O1)C(=O)[O-] ZINC000848610839 805843288 /nfs/dbraw/zinc/84/32/88/805843288.db2.gz NSYPMIVCOFFJNJ-NXEZZACHSA-N -1 0 316.354 -0.273 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])cn1C ZINC000848680114 805845746 /nfs/dbraw/zinc/84/57/46/805845746.db2.gz AIDMCOVQISIKCA-MRVPVSSYSA-N -1 0 322.314 -0.097 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000848938339 805852593 /nfs/dbraw/zinc/85/25/93/805852593.db2.gz APUKAVGHOUNWLH-UHFFFAOYSA-N -1 0 314.346 -0.871 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000848938545 805852675 /nfs/dbraw/zinc/85/26/75/805852675.db2.gz HPQPODCGEZXCOM-UHFFFAOYSA-N -1 0 316.387 -0.545 20 0 DBADRM NS(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(Cl)cn1 ZINC000848957001 805853285 /nfs/dbraw/zinc/85/32/85/805853285.db2.gz JBLKOULTMQPNSC-UHFFFAOYSA-N -1 0 314.776 -0.450 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cccc2nonc21 ZINC000849332316 805862878 /nfs/dbraw/zinc/86/28/78/805862878.db2.gz LPUOWHCMKHAJCN-OIBJUYFYSA-N -1 0 313.291 -0.257 20 0 DBADRM O=C([O-])[C@@]1(F)CN(S(=O)(=O)N2CCOCC2)CC12CCC2 ZINC000849333203 805862993 /nfs/dbraw/zinc/86/29/93/805862993.db2.gz CWYLQAKXMCDASM-LBPRGKRZSA-N -1 0 322.358 -0.158 20 0 DBADRM CC(C)OC(=O)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000850787164 805901788 /nfs/dbraw/zinc/90/17/88/805901788.db2.gz XRNNMTZHZCWPSS-UHFFFAOYSA-N -1 0 309.278 -0.214 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])O1 ZINC000850787044 805901804 /nfs/dbraw/zinc/90/18/04/805901804.db2.gz RUBBZIPNQYZXDO-QMMMGPOBSA-N -1 0 323.305 -0.014 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCCC1)c1ccn2nnnc2c1 ZINC000850789752 805902122 /nfs/dbraw/zinc/90/21/22/805902122.db2.gz UJSXHHUGWFNVTC-UHFFFAOYSA-N -1 0 310.339 -0.415 20 0 DBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000850735794 805902138 /nfs/dbraw/zinc/90/21/38/805902138.db2.gz BXMXSLFCSBYMHT-SECBINFHSA-N -1 0 305.356 -0.497 20 0 DBADRM COC(=O)N1CCC(C(=O)[N-]S(=O)(=O)N2CCCC2)CC1 ZINC000850787917 805902478 /nfs/dbraw/zinc/90/24/78/805902478.db2.gz GNZKSVSEKCEUFP-UHFFFAOYSA-N -1 0 319.383 -0.078 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccccn1)c1cnc2n1CCOC2 ZINC000850847382 805905308 /nfs/dbraw/zinc/90/53/08/805905308.db2.gz CDJRJWVRMGOYCK-UHFFFAOYSA-N -1 0 308.319 -0.073 20 0 DBADRM COCCCOCCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000850891121 805907347 /nfs/dbraw/zinc/90/73/47/805907347.db2.gz YQGXXLDXRIXBDL-UHFFFAOYSA-N -1 0 303.340 -0.275 20 0 DBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000850909831 805907378 /nfs/dbraw/zinc/90/73/78/805907378.db2.gz TVFSZNSGJBOBQJ-SECBINFHSA-N -1 0 305.356 -0.070 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1cnc2n1CCOC2 ZINC000850935544 805908065 /nfs/dbraw/zinc/90/80/65/805908065.db2.gz JKYLITPNAUALSU-SECBINFHSA-N -1 0 315.351 -0.348 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)Cn1cc(C2CC2)cn1 ZINC000850923212 805908538 /nfs/dbraw/zinc/90/85/38/805908538.db2.gz PPXBPEQCLGDOFW-UHFFFAOYSA-N -1 0 315.351 -0.230 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000850944066 805909285 /nfs/dbraw/zinc/90/92/85/805909285.db2.gz YQOGSGJAWHROMU-JOAULVNJSA-N -1 0 305.352 -0.191 20 0 DBADRM COC[C@H](NC(=O)C=C(C)CN1CCOCC1)c1nnn[n-]1 ZINC001303580137 805916062 /nfs/dbraw/zinc/91/60/62/805916062.db2.gz QIKROCDBQOOWQQ-BRNRAETOSA-N -1 0 310.358 -0.718 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000850990038 805910715 /nfs/dbraw/zinc/91/07/15/805910715.db2.gz GMAALLILIWJQRI-ZETCQYMHSA-N -1 0 305.360 -0.477 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2nnn(C(C)(C)C)n2)CC1 ZINC000851034356 805911872 /nfs/dbraw/zinc/91/18/72/805911872.db2.gz MJWYUQINYYGRGT-UHFFFAOYSA-N -1 0 317.371 -0.333 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000851034662 805911930 /nfs/dbraw/zinc/91/19/30/805911930.db2.gz RRRPENJMEROEHS-BRPSZJMVSA-N -1 0 305.352 -0.476 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2nnn(C(C)(C)C)n2)c1 ZINC000851080711 805912506 /nfs/dbraw/zinc/91/25/06/805912506.db2.gz GNVQVBHXEUANFZ-UHFFFAOYSA-N -1 0 313.343 -0.720 20 0 DBADRM C/C(=C\C(=O)NC1(c2nnn[n-]2)CCC1)CN1CCOCC1 ZINC001303220723 805913967 /nfs/dbraw/zinc/91/39/67/805913967.db2.gz ADRQATZSHVBQEO-PKNBQFBNSA-N -1 0 306.370 -0.026 20 0 DBADRM O=C([N-]S(=O)(=O)CC(F)F)[C@@]12CCC(=O)N1CCS2 ZINC000851359639 805914603 /nfs/dbraw/zinc/91/46/03/805914603.db2.gz VGUBIVFNSXIYHI-VIFPVBQESA-N -1 0 314.335 -0.237 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)[N-]S(=O)(=O)CC(F)F ZINC000851359675 805915270 /nfs/dbraw/zinc/91/52/70/805915270.db2.gz WRXYHGVKDWMJRD-UHFFFAOYSA-N -1 0 312.294 -0.373 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)CC(F)F ZINC000851359793 805915576 /nfs/dbraw/zinc/91/55/76/805915576.db2.gz APIBHQXGNOMQPW-UHFFFAOYSA-N -1 0 320.339 -0.877 20 0 DBADRM NC(=O)COc1ccccc1C(=O)[N-]S(=O)(=O)CC(F)F ZINC000851359702 805915917 /nfs/dbraw/zinc/91/59/17/805915917.db2.gz XRXKZRDVSVOHMS-UHFFFAOYSA-N -1 0 322.289 -0.125 20 0 DBADRM Cn1c(=O)n2c(c1C(=O)[N-]S(=O)(=O)CC(F)F)CCCC2 ZINC000851363072 805916009 /nfs/dbraw/zinc/91/60/09/805916009.db2.gz AHQGKKOKJKOMPV-UHFFFAOYSA-N -1 0 323.321 -0.152 20 0 DBADRM COc1cc(CS(=O)(=O)[N-]C(=O)CN(C)C(C)=O)sn1 ZINC000851434614 805917134 /nfs/dbraw/zinc/91/71/34/805917134.db2.gz QQGXWMKXDLIYOS-UHFFFAOYSA-N -1 0 321.380 -0.424 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H](C)OCC1CC1 ZINC000851500066 805917563 /nfs/dbraw/zinc/91/75/63/805917563.db2.gz FBESTHFGNDWFEI-VIFPVBQESA-N -1 0 309.384 -0.091 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(OC)nc1 ZINC000851498514 805917752 /nfs/dbraw/zinc/91/77/52/805917752.db2.gz YWGIGEZIGASCGQ-UHFFFAOYSA-N -1 0 318.351 -0.189 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)C(COC)COC)nn1 ZINC000851502057 805918392 /nfs/dbraw/zinc/91/83/92/805918392.db2.gz HWAWNQXXCDZBPB-UHFFFAOYSA-N -1 0 320.371 -0.591 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CCCOCC1 ZINC000851501955 805918431 /nfs/dbraw/zinc/91/84/31/805918431.db2.gz JQURNCQRABMJRX-SNVBAGLBSA-N -1 0 309.384 -0.090 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1nn(C)cc1C ZINC000851504045 805919569 /nfs/dbraw/zinc/91/95/69/805919569.db2.gz RCFLURWRWKJKGA-UHFFFAOYSA-N -1 0 305.356 -0.550 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000851503407 805919624 /nfs/dbraw/zinc/91/96/24/805919624.db2.gz YLYCEAMBOJBXPX-VHSXEESVSA-N -1 0 309.384 -0.091 20 0 DBADRM CO[C@@H](C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)[C@H]1CCOC1 ZINC000851603157 805920715 /nfs/dbraw/zinc/92/07/15/805920715.db2.gz JVQQXOZZCTVUIB-UUIJZJDISA-N -1 0 313.350 -0.012 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H](OC)[C@@H]2CCOC2)C1 ZINC000851607728 805920955 /nfs/dbraw/zinc/92/09/55/805920955.db2.gz RRTXFFZDFOIAQQ-GYSYKLTISA-N -1 0 301.339 -0.012 20 0 DBADRM O=C([O-])[C@]1(F)CN(C(=O)C2(n3cnnn3)CC2)CC12CCC2 ZINC000851614625 805921002 /nfs/dbraw/zinc/92/10/02/805921002.db2.gz QONQYHDGTKSMAU-CYBMUJFWSA-N -1 0 309.301 -0.032 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)c2nc3ncccn3n2)CCCOC1 ZINC000851606740 805921195 /nfs/dbraw/zinc/92/11/95/805921195.db2.gz WSSFIQUNWKBJJR-ZDUSSCGKSA-N -1 0 305.294 -0.122 20 0 DBADRM Cn1cc(/C=C/C(=O)N2CC3CC2(C(=O)[O-])C3)c(=O)n(C)c1=O ZINC000851615547 805921681 /nfs/dbraw/zinc/92/16/81/805921681.db2.gz LTXRRBRKSTXULH-ONEGZZNKSA-N -1 0 319.317 -0.827 20 0 DBADRM C[C@H](CNC(=O)NCCS(=O)(=O)CC(F)(F)F)C(=O)[O-] ZINC000851651379 805922356 /nfs/dbraw/zinc/92/23/56/805922356.db2.gz LRVDSFKPVORUQC-ZCFIWIBFSA-N -1 0 320.289 -0.017 20 0 DBADRM COC(=O)/C=C\[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001305797292 805924261 /nfs/dbraw/zinc/92/42/61/805924261.db2.gz IFONGWYJQAOWKG-TUUFMJSCSA-N -1 0 305.294 -0.695 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCO[C@@H]2CC2(F)F)C1 ZINC000851683384 805925481 /nfs/dbraw/zinc/92/54/81/805925481.db2.gz DPCIEHXKAUTBGH-PELKAZGASA-N -1 0 320.292 -0.150 20 0 DBADRM COCCN(CCF)C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000851683607 805925497 /nfs/dbraw/zinc/92/54/97/805925497.db2.gz KLNRSPQWSAUSIE-SNVBAGLBSA-N -1 0 306.334 -0.096 20 0 DBADRM COC(=O)[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC000851683328 805925588 /nfs/dbraw/zinc/92/55/88/805925588.db2.gz CEXBVWKJRDQCSY-AOOOYVTPSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)N(C)CCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000851683869 805925803 /nfs/dbraw/zinc/92/58/03/805925803.db2.gz QIUSFXRUTRNVRY-UHFFFAOYSA-N -1 0 317.342 -0.582 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCO[C@@H](C(F)F)C2)CCC1 ZINC000851687087 805926317 /nfs/dbraw/zinc/92/63/17/805926317.db2.gz MDGFDOFYNLTEGX-MRVPVSSYSA-N -1 0 320.292 -0.150 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCO[C@H](C(F)F)C2)CCC1 ZINC000851687088 805926911 /nfs/dbraw/zinc/92/69/11/805926911.db2.gz MDGFDOFYNLTEGX-QMMMGPOBSA-N -1 0 320.292 -0.150 20 0 DBADRM COCCNC(=O)C1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001309036677 805934713 /nfs/dbraw/zinc/93/47/13/805934713.db2.gz LITVQMHQZMHHCT-UHFFFAOYSA-N -1 0 316.383 -0.427 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1ncc(C(=O)OC)s1 ZINC001313299699 805960796 /nfs/dbraw/zinc/96/07/96/805960796.db2.gz PCCYLWKRRLFYNI-UHFFFAOYSA-N -1 0 302.312 -0.594 20 0 DBADRM CC[C@H]1C(=O)N(CC)CCN1CCS(=O)(=O)CC(=O)[O-] ZINC000852734469 805972518 /nfs/dbraw/zinc/97/25/18/805972518.db2.gz BILJAWYALMBUIG-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000852915502 805990890 /nfs/dbraw/zinc/99/08/90/805990890.db2.gz WNLIGVPJJCGLIT-QMTHXVAHSA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)N(C)CCN(C)C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000852915079 805991687 /nfs/dbraw/zinc/99/16/87/805991687.db2.gz PNUPOUZYCHAACV-UHFFFAOYSA-N -1 0 303.315 -0.924 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCN(C)CCS(C)(=O)=O)c1[O-] ZINC001316817268 805992814 /nfs/dbraw/zinc/99/28/14/805992814.db2.gz CNHSFVJREUNPJP-UHFFFAOYSA-N -1 0 318.399 -0.480 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000852941520 805993873 /nfs/dbraw/zinc/99/38/73/805993873.db2.gz PBDGFJQMLMMAMK-ZJUUUORDSA-N -1 0 321.399 -0.386 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000852947525 805993897 /nfs/dbraw/zinc/99/38/97/805993897.db2.gz OFZVWSZRVWWRBK-JTQLQIEISA-N -1 0 306.384 -0.067 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000852939629 805994027 /nfs/dbraw/zinc/99/40/27/805994027.db2.gz UUGBXRNFGIEFSP-VIFPVBQESA-N -1 0 307.372 -0.775 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1 ZINC000852950426 805994137 /nfs/dbraw/zinc/99/41/37/805994137.db2.gz KFLDTWJTTXHISL-HNNXBMFYSA-N -1 0 311.382 -0.280 20 0 DBADRM O=C([O-])[C@@H](C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)C1CC1 ZINC000852952595 805995218 /nfs/dbraw/zinc/99/52/18/805995218.db2.gz ZVUKTFFOFMJLMF-VXGBXAGGSA-N -1 0 310.350 -0.007 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@H](COC)OC ZINC000853203159 806001146 /nfs/dbraw/zinc/00/11/46/806001146.db2.gz VPMJUXFKMRCICF-IUCAKERBSA-N -1 0 310.372 -0.992 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC000852953027 805995510 /nfs/dbraw/zinc/99/55/10/805995510.db2.gz ZSFHPGQUVTXBSW-UHFFFAOYSA-N -1 0 324.333 -0.359 20 0 DBADRM O=C([O-])CN1CC[C@H](n2cncc(Br)c2=O)C1=O ZINC000853003353 805995640 /nfs/dbraw/zinc/99/56/40/805995640.db2.gz JCBVZVAMBKYIIT-ZETCQYMHSA-N -1 0 316.111 -0.136 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001316825346 805996849 /nfs/dbraw/zinc/99/68/49/805996849.db2.gz HOQYPVDMBCXREJ-VIFPVBQESA-N -1 0 312.374 -0.637 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)/C=C\c1ccc(C(N)=O)o1 ZINC000853105617 805997344 /nfs/dbraw/zinc/99/73/44/805997344.db2.gz JHTFNXNCUDOOBY-HYXAFXHYSA-N -1 0 302.308 -0.516 20 0 DBADRM CCc1cc(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)[nH]n1 ZINC000853202659 806001282 /nfs/dbraw/zinc/00/12/82/806001282.db2.gz QEVYCTIFMATUKW-VIFPVBQESA-N -1 0 305.356 -0.307 20 0 DBADRM CCc1c(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)cnn1C ZINC000853201838 806001294 /nfs/dbraw/zinc/00/12/94/806001294.db2.gz HYJONFXMLKXNNL-VIFPVBQESA-N -1 0 319.383 -0.297 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C)OC ZINC000853200332 806000172 /nfs/dbraw/zinc/00/01/72/806000172.db2.gz JLJZBTDOVIXAPD-VIFPVBQESA-N -1 0 324.399 -0.744 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C1SCCS1)OC ZINC000853205061 806000896 /nfs/dbraw/zinc/00/08/96/806000896.db2.gz AIKHHFCAWJOUER-ZETCQYMHSA-N -1 0 315.438 -0.100 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CCn1cccn1)OC ZINC000853203594 806000972 /nfs/dbraw/zinc/00/09/72/806000972.db2.gz ZHAOAQQZDAMAKA-SNVBAGLBSA-N -1 0 305.356 -0.619 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@]1(C)CCCOC1)OC ZINC000853205752 806001760 /nfs/dbraw/zinc/00/17/60/806001760.db2.gz JTFJMKJCRDHFRE-JQWIXIFHSA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@]12CCOC2)OC ZINC000853207173 806001965 /nfs/dbraw/zinc/00/19/65/806001965.db2.gz ZRGKPMCSWHCPDK-CKYFFXLPSA-N -1 0 307.368 -0.480 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H]1CCCOCC1)OC ZINC000853207833 806002179 /nfs/dbraw/zinc/00/21/79/806002179.db2.gz KTUVBTCKQBOGMN-QWRGUYRKSA-N -1 0 309.384 -0.090 20 0 DBADRM CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC ZINC000853207226 806002388 /nfs/dbraw/zinc/00/23/88/806002388.db2.gz XAKIKPCVAALZCR-SECBINFHSA-N -1 0 319.383 -0.297 20 0 DBADRM CCn1ccc(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)n1 ZINC000853208072 806002473 /nfs/dbraw/zinc/00/24/73/806002473.db2.gz AFNMTAKNNOEQKU-VIFPVBQESA-N -1 0 305.356 -0.376 20 0 DBADRM CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)C[C@H](COC)OC ZINC000853207227 806002536 /nfs/dbraw/zinc/00/25/36/806002536.db2.gz XAKIKPCVAALZCR-VIFPVBQESA-N -1 0 319.383 -0.297 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)/C=C\[C@H]1CCOC1)OC ZINC000853209580 806003122 /nfs/dbraw/zinc/00/31/22/806003122.db2.gz MJVCKDPBMTUKDS-CBZSPVTBSA-N -1 0 307.368 -0.314 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CCOC[C@@H]1C)OC ZINC000853209237 806003131 /nfs/dbraw/zinc/00/31/31/806003131.db2.gz ZRYYXHNNLGTZKG-HBNTYKKESA-N -1 0 309.384 -0.234 20 0 DBADRM CCOCC1(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)CC1 ZINC000853208424 806003188 /nfs/dbraw/zinc/00/31/88/806003188.db2.gz UCTTYMYWZSZXAL-SNVBAGLBSA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C(C)(C)CNC(C)=O)OC ZINC000853209511 806003313 /nfs/dbraw/zinc/00/33/13/806003313.db2.gz OAXBCRWUIKLREA-SNVBAGLBSA-N -1 0 324.399 -0.744 20 0 DBADRM CN(CCCNC(=O)C[C@H]1CCCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001316835865 806003339 /nfs/dbraw/zinc/00/33/39/806003339.db2.gz OHYHUBBYQZMYBF-SNVBAGLBSA-N -1 0 324.385 -0.493 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1O[C@H](C)C[C@@H]1C)OC ZINC000853208628 806003395 /nfs/dbraw/zinc/00/33/95/806003395.db2.gz VWEAESOYACPZSB-LNFKQOIKSA-N -1 0 309.384 -0.093 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ncccc1F)OC ZINC000853210526 806003908 /nfs/dbraw/zinc/00/39/08/806003908.db2.gz ADJNMERXQILVFX-QMMMGPOBSA-N -1 0 306.315 -0.058 20 0 DBADRM CN(CCCNC(=O)C[C@@H]1CCCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001316835861 806004009 /nfs/dbraw/zinc/00/40/09/806004009.db2.gz OHYHUBBYQZMYBF-JTQLQIEISA-N -1 0 324.385 -0.493 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)Cc1cn(C)nc1C)OC ZINC000853210309 806004389 /nfs/dbraw/zinc/00/43/89/806004389.db2.gz UKFJRWQFYGQDLT-LLVKDONJSA-N -1 0 319.383 -0.622 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)Cc1cscn1)OC ZINC000853211075 806004656 /nfs/dbraw/zinc/00/46/56/806004656.db2.gz MSLYRLKSUUHSLM-VIFPVBQESA-N -1 0 308.381 -0.207 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000854215725 806029186 /nfs/dbraw/zinc/02/91/86/806029186.db2.gz LOLVEVXPWKCAQK-IUCAKERBSA-N -1 0 307.372 -0.681 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)C1(S(=O)(=O)c2ccccc2)CC1 ZINC000854611126 806045517 /nfs/dbraw/zinc/04/55/17/806045517.db2.gz UHSVIPMNNFNYFJ-UHFFFAOYSA-N -1 0 324.318 -0.234 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc(N2CCOCC2)nc1 ZINC000854610804 806046090 /nfs/dbraw/zinc/04/60/90/806046090.db2.gz NPDTVSLWRSHGBJ-UHFFFAOYSA-N -1 0 306.282 -0.695 20 0 DBADRM Cc1nn(C)c2nc(C)cc(C(=O)Nn3c(=O)[n-][nH]c3=O)c12 ZINC000854610701 806046245 /nfs/dbraw/zinc/04/62/45/806046245.db2.gz LEEHMDXGJWHYRD-UHFFFAOYSA-N -1 0 303.282 -0.028 20 0 DBADRM CCn1ncn([N-]C(=O)c2nn(C)cc2Br)c1=O ZINC000854627670 806046480 /nfs/dbraw/zinc/04/64/80/806046480.db2.gz OJUZHBMMZBYAIP-UHFFFAOYSA-N -1 0 315.131 -0.055 20 0 DBADRM CCn1ncn([N-]C(=O)c2ccc(S(C)(=O)=O)s2)c1=O ZINC000854627569 806046919 /nfs/dbraw/zinc/04/69/19/806046919.db2.gz VTCFLXGMMVPXEO-UHFFFAOYSA-N -1 0 316.364 -0.086 20 0 DBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854613148 806047086 /nfs/dbraw/zinc/04/70/86/806047086.db2.gz UQOYEZYIPRNJJM-UHFFFAOYSA-N -1 0 315.330 -0.531 20 0 DBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CC(O)(CO)C1 ZINC000854673330 806050124 /nfs/dbraw/zinc/05/01/24/806050124.db2.gz YKGVLMXVZHLOMM-UHFFFAOYSA-N -1 0 321.358 -0.749 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)N3CC(O)(CO)C3)cc2[n-]c1=S ZINC000854672116 806050419 /nfs/dbraw/zinc/05/04/19/806050419.db2.gz DKODAYMPBIXVDH-UHFFFAOYSA-N -1 0 321.358 -0.599 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)N[C@H]3CCNC3=O)cc2[n-]c1=S ZINC000855146804 806071517 /nfs/dbraw/zinc/07/15/17/806071517.db2.gz WQJAAQUVIFXTOH-VIFPVBQESA-N -1 0 318.358 -0.160 20 0 DBADRM C[C@]12COC[C@@H]1CN(C(=O)Cn1[n-]cc3c(=O)ncnc1-3)C2 ZINC000855840189 806088264 /nfs/dbraw/zinc/08/82/64/806088264.db2.gz XNICAKQFKYQVOM-XPTSAGLGSA-N -1 0 303.322 -0.434 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC(O)(C1CC1)C1CC1 ZINC000855913122 806090247 /nfs/dbraw/zinc/09/02/47/806090247.db2.gz YKIQBRAOZJPQTA-UHFFFAOYSA-N -1 0 317.349 -0.262 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000855925425 806090992 /nfs/dbraw/zinc/09/09/92/806090992.db2.gz PWERTMKXINTZCU-NXEZZACHSA-N -1 0 303.322 -0.509 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)[N-]OCCN1CCCC1=O ZINC000856042766 806094602 /nfs/dbraw/zinc/09/46/02/806094602.db2.gz GCOCLQRMTISEDE-HNNXBMFYSA-N -1 0 323.349 -0.731 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)[N-]OCCN1CCCC1=O ZINC000856038917 806093990 /nfs/dbraw/zinc/09/39/90/806093990.db2.gz MKYHBPPCHJMFQP-JTQLQIEISA-N -1 0 300.359 -0.116 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)[N-]OCCN1CCCC1=O ZINC000856040312 806095069 /nfs/dbraw/zinc/09/50/69/806095069.db2.gz YHUMPIHZXIFWHG-SNVBAGLBSA-N -1 0 315.395 -0.032 20 0 DBADRM NC(=O)C1(C(=O)NC[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001317136194 806096169 /nfs/dbraw/zinc/09/61/69/806096169.db2.gz ZWTVSBCLTNKJKK-SECBINFHSA-N -1 0 322.369 -0.896 20 0 DBADRM O=C([O-])C1CN(C(=O)NC[C@H]2COC3(CCOCC3)O2)C1 ZINC000857100892 806108417 /nfs/dbraw/zinc/10/84/17/806108417.db2.gz NBOBOKNQBQFFLN-JTQLQIEISA-N -1 0 300.311 -0.366 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C[C@@H]1CO ZINC000857253152 806113092 /nfs/dbraw/zinc/11/30/92/806113092.db2.gz HMZRIXLNAWGXQM-UEKVPHQBSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C[C@H]1CO ZINC000857253153 806113139 /nfs/dbraw/zinc/11/31/39/806113139.db2.gz HMZRIXLNAWGXQM-ZETOZRRWSA-N -1 0 312.366 -0.214 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)[N-]OC(C)(C)CO ZINC000857286848 806114905 /nfs/dbraw/zinc/11/49/05/806114905.db2.gz ICJLLFVDGIZNBN-UHFFFAOYSA-N -1 0 321.355 -0.612 20 0 DBADRM CON(C)C(=O)CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000857541940 806121808 /nfs/dbraw/zinc/12/18/08/806121808.db2.gz AXVMBUGOVBIVRO-UHFFFAOYSA-N -1 0 306.278 -0.221 20 0 DBADRM CCCOCC(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001317440582 806149435 /nfs/dbraw/zinc/14/94/35/806149435.db2.gz ISVIGGIOJSHWDK-UHFFFAOYSA-N -1 0 321.381 -0.003 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2COCCO2)cn1 ZINC000858662084 806154776 /nfs/dbraw/zinc/15/47/76/806154776.db2.gz QZHGCMZGYCIWCT-JTQLQIEISA-N -1 0 315.351 -0.402 20 0 DBADRM Cn1[n-]nnc1=NCCOCCCNC(=O)OC(C)(C)C ZINC000858781697 806158249 /nfs/dbraw/zinc/15/82/49/806158249.db2.gz VOPQUVLYUHOAKP-UHFFFAOYSA-N -1 0 300.363 -0.025 20 0 DBADRM CN(CCNC(=O)c1c[n-]n2c1nccc2=O)Cc1cnon1 ZINC001317464515 806158157 /nfs/dbraw/zinc/15/81/57/806158157.db2.gz XDIVLKZCSLRCKE-UHFFFAOYSA-N -1 0 317.309 -0.733 20 0 DBADRM CCOC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000858915505 806162610 /nfs/dbraw/zinc/16/26/10/806162610.db2.gz VPAUOYFESSZYTP-LURJTMIESA-N -1 0 306.296 -0.309 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC(=O)OCC2CC2)on1 ZINC000858934407 806164085 /nfs/dbraw/zinc/16/40/85/806164085.db2.gz YGBJNAPXUXNBIG-UHFFFAOYSA-N -1 0 318.307 -0.307 20 0 DBADRM CC[S@@](=O)CC[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000858967988 806164907 /nfs/dbraw/zinc/16/49/07/806164907.db2.gz HSIVSSVLRQUYAM-GOSISDBHSA-N -1 0 310.353 -0.492 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCC2(C)OCCO2)on1 ZINC000859107562 806175076 /nfs/dbraw/zinc/17/50/76/806175076.db2.gz KFYUKWROQKALQZ-UHFFFAOYSA-N -1 0 320.323 -0.107 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNCc2nc(N(C)C)no2)c1[O-] ZINC001317575831 806191236 /nfs/dbraw/zinc/19/12/36/806191236.db2.gz FYVXAVTTXAYFBN-UHFFFAOYSA-N -1 0 323.357 -0.265 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)OCc3n[nH]c(=O)[n-]3)CC2=O)cn1 ZINC000859900859 806207820 /nfs/dbraw/zinc/20/78/20/806207820.db2.gz GSXNISVIHARZFK-ZETCQYMHSA-N -1 0 306.282 -0.660 20 0 DBADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000860444152 806230932 /nfs/dbraw/zinc/23/09/32/806230932.db2.gz DNWQXWRLLIJRDA-ZJUUUORDSA-N -1 0 312.347 -0.167 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)s1 ZINC000860448715 806231901 /nfs/dbraw/zinc/23/19/01/806231901.db2.gz XSAGXENBLWTEEA-SFYZADRCSA-N -1 0 318.376 -0.106 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)N(C)C(C)C)O1 ZINC000860528787 806233763 /nfs/dbraw/zinc/23/37/63/806233763.db2.gz BMRNYPVIEMCTNC-BDAKNGLRSA-N -1 0 308.356 -0.592 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860506346 806233935 /nfs/dbraw/zinc/23/39/35/806233935.db2.gz CSBHXCAUIGZGGX-SECBINFHSA-N -1 0 314.367 -0.373 20 0 DBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)CC(C)C)c1 ZINC000860512617 806234335 /nfs/dbraw/zinc/23/43/35/806234335.db2.gz GKSFPDDQXHEKEV-UHFFFAOYSA-N -1 0 303.340 -0.228 20 0 DBADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC000860541058 806234814 /nfs/dbraw/zinc/23/48/14/806234814.db2.gz CAAAVYLKRXAKLU-VIFPVBQESA-N -1 0 319.383 -0.237 20 0 DBADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000860541795 806235272 /nfs/dbraw/zinc/23/52/72/806235272.db2.gz NAOKHEAVFKFGCQ-AEJSXWLSSA-N -1 0 306.384 -0.099 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC000860546237 806235314 /nfs/dbraw/zinc/23/53/14/806235314.db2.gz ZSBYZXGQYDPVDZ-HRDYMLBCSA-N -1 0 309.340 -0.812 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1c(C)nc2sccn21 ZINC000860536432 806235460 /nfs/dbraw/zinc/23/54/60/806235460.db2.gz AWGPUZZWKMRZKI-UHFFFAOYSA-N -1 0 317.348 -0.063 20 0 DBADRM COC(=O)NCCOC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000860556150 806236312 /nfs/dbraw/zinc/23/63/12/806236312.db2.gz QRNLYKLZNOXUNV-UHFFFAOYSA-N -1 0 317.323 -0.034 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC000860568075 806236514 /nfs/dbraw/zinc/23/65/14/806236514.db2.gz WJMXDKHTFQQOID-LLVKDONJSA-N -1 0 311.363 -0.174 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860567376 806236691 /nfs/dbraw/zinc/23/66/91/806236691.db2.gz BOWOZKOQMCEGHZ-KZFFXBSXSA-N -1 0 318.351 -0.980 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860558285 806236792 /nfs/dbraw/zinc/23/67/92/806236792.db2.gz RBCCPENKYKHMNY-SECBINFHSA-N -1 0 314.367 -0.371 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC000860568138 806236922 /nfs/dbraw/zinc/23/69/22/806236922.db2.gz XTHWWPMAVQVICK-CYBMUJFWSA-N -1 0 317.411 -0.004 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1cn(C2CC2)nn1 ZINC000860631760 806238893 /nfs/dbraw/zinc/23/88/93/806238893.db2.gz JWCJQCKHUZTMPY-MRVPVSSYSA-N -1 0 300.340 -0.291 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1ccnc2ccnn21 ZINC000860631192 806238928 /nfs/dbraw/zinc/23/89/28/806238928.db2.gz BVFIWFZLNYFGGA-VIFPVBQESA-N -1 0 310.335 -0.175 20 0 DBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)CC2CCC2)C1=O ZINC000860624598 806239505 /nfs/dbraw/zinc/23/95/05/806239505.db2.gz CBPFIVCWVPDWGY-UHFFFAOYSA-N -1 0 303.340 -0.874 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000860660415 806241783 /nfs/dbraw/zinc/24/17/83/806241783.db2.gz KIHGIMPCKMGCAY-SNVBAGLBSA-N -1 0 316.383 -0.224 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1COc2cc(F)ccc2C1 ZINC000860648630 806240284 /nfs/dbraw/zinc/24/02/84/806240284.db2.gz UKEJSMKQKGCRGH-MRVPVSSYSA-N -1 0 316.310 -0.692 20 0 DBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860649930 806240462 /nfs/dbraw/zinc/24/04/62/806240462.db2.gz RNOWNWXZZQQIGE-RBMYMFIASA-N -1 0 317.363 -0.049 20 0 DBADRM Cc1ccccc1CO[C@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000860648230 806240505 /nfs/dbraw/zinc/24/05/05/806240505.db2.gz NRFHQFIVECGCIH-SNVBAGLBSA-N -1 0 314.363 -0.169 20 0 DBADRM Cc1ccccc1CO[C@@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000860648229 806240655 /nfs/dbraw/zinc/24/06/55/806240655.db2.gz NRFHQFIVECGCIH-JTQLQIEISA-N -1 0 314.363 -0.169 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1nccc1C ZINC000860664719 806241559 /nfs/dbraw/zinc/24/15/59/806241559.db2.gz DJARRCGWEZOUPF-NXEZZACHSA-N -1 0 317.367 -0.165 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC000860662724 806241638 /nfs/dbraw/zinc/24/16/38/806241638.db2.gz IXVMMRKUSGSUMT-VHSXEESVSA-N -1 0 323.367 -0.420 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C)cn1 ZINC000860705894 806242823 /nfs/dbraw/zinc/24/28/23/806242823.db2.gz PLFGQFGRSJEJGB-NSHDSACASA-N -1 0 315.351 -0.334 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1c(N)noc1C)C(C)C ZINC000860737028 806245271 /nfs/dbraw/zinc/24/52/71/806245271.db2.gz NYUYZSBFDGQCTA-MRVPVSSYSA-N -1 0 318.355 -0.469 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C(C)C ZINC000860758000 806245395 /nfs/dbraw/zinc/24/53/95/806245395.db2.gz AFTTUNSBMVRMTN-SNVBAGLBSA-N -1 0 308.356 -0.844 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(F)cn2)O1 ZINC000860815719 806247970 /nfs/dbraw/zinc/24/79/70/806247970.db2.gz QNLMMATZUCLLIV-JGVFFNPUSA-N -1 0 317.298 -0.942 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OC[C@@]2(O)CCOC2)cn1 ZINC000860828001 806248774 /nfs/dbraw/zinc/24/87/74/806248774.db2.gz DWERTFCVHDIEMK-GFCCVEGCSA-N -1 0 316.335 -0.239 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cn(C)cn1)C(C)C ZINC000860824750 806248987 /nfs/dbraw/zinc/24/89/87/806248987.db2.gz WNXHXGZNLKZJHF-SNVBAGLBSA-N -1 0 302.356 -0.614 20 0 DBADRM CCC[C@@H](OCC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000860864533 806249661 /nfs/dbraw/zinc/24/96/61/806249661.db2.gz BFBMOSRZLJJXJJ-MRVPVSSYSA-N -1 0 319.339 -0.216 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)COCC(F)F ZINC000860884666 806251301 /nfs/dbraw/zinc/25/13/01/806251301.db2.gz RFMMNECURSBVQR-UHFFFAOYSA-N -1 0 305.299 -0.625 20 0 DBADRM COc1cc(CS(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)sn1 ZINC000860879936 806251425 /nfs/dbraw/zinc/25/14/25/806251425.db2.gz GHNXSHKVMFXKFY-LURJTMIESA-N -1 0 321.336 -0.794 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000861137114 806257318 /nfs/dbraw/zinc/25/73/18/806257318.db2.gz MEEGNBVYNZFHHM-ZJUUUORDSA-N -1 0 306.384 -0.230 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)C1=O ZINC000861139403 806257333 /nfs/dbraw/zinc/25/73/33/806257333.db2.gz HEPZYYISBZTNSC-BDAKNGLRSA-N -1 0 304.368 -0.522 20 0 DBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)CC1 ZINC000861140364 806257916 /nfs/dbraw/zinc/25/79/16/806257916.db2.gz QLDWEYAQISSZLQ-QMMMGPOBSA-N -1 0 305.352 -0.047 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000861475249 806269129 /nfs/dbraw/zinc/26/91/29/806269129.db2.gz REORMSYXRGYDIY-IGJMFERPSA-N -1 0 315.326 -0.863 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2ccn(C)n2)CC[C@@H]1C(=O)[O-] ZINC000861717831 806283430 /nfs/dbraw/zinc/28/34/30/806283430.db2.gz CCYDHNDXOSUICF-KOLCDFICSA-N -1 0 308.338 -0.395 20 0 DBADRM CN1CCC[C@@H](NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC000861722310 806284146 /nfs/dbraw/zinc/28/41/46/806284146.db2.gz ZVNQWNLBWOYCTC-OTYXRUKQSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1CCC[C@@H](NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1=O ZINC000861722312 806284249 /nfs/dbraw/zinc/28/42/49/806284249.db2.gz ZVNQWNLBWOYCTC-YMTOWFKASA-N -1 0 311.338 -0.953 20 0 DBADRM COC(=O)C1=CC[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000861723551 806284363 /nfs/dbraw/zinc/28/43/63/806284363.db2.gz KDEQZRQDZZMMQQ-JTQLQIEISA-N -1 0 324.333 -0.265 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)n1 ZINC000861723132 806284471 /nfs/dbraw/zinc/28/44/71/806284471.db2.gz GYETVNVDXZSPPU-SNVBAGLBSA-N -1 0 311.342 -0.613 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC000861724296 806284570 /nfs/dbraw/zinc/28/45/70/806284570.db2.gz OAZCLNVGQPBTND-UHFFFAOYSA-N -1 0 309.326 -0.715 20 0 DBADRM COCCOCCCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001318379688 806291273 /nfs/dbraw/zinc/29/12/73/806291273.db2.gz CBRTWLJSONIUFJ-UHFFFAOYSA-N -1 0 323.353 -0.369 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC001318402581 806295144 /nfs/dbraw/zinc/29/51/44/806295144.db2.gz IEAGNPWQKIVBEF-UHFFFAOYSA-N -1 0 315.293 -0.819 20 0 DBADRM CCn1ncn([N-]C(=O)c2cc(S(C)(=O)=O)oc2C)c1=O ZINC000861821734 806298758 /nfs/dbraw/zinc/29/87/58/806298758.db2.gz XVUASLYTJPPCBH-UHFFFAOYSA-N -1 0 314.323 -0.246 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)[N-]OC(C)(C)CO ZINC000861880792 806300977 /nfs/dbraw/zinc/30/09/77/806300977.db2.gz RKBPCURTUACREN-UHFFFAOYSA-N -1 0 317.386 -0.385 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCN(CCCF)CC1 ZINC000862112749 806312425 /nfs/dbraw/zinc/31/24/25/806312425.db2.gz VZFDNWOEVBPGPM-UHFFFAOYSA-N -1 0 322.344 -0.425 20 0 DBADRM COC(=O)c1cccc(NC(=O)C(=O)NCc2nnn[n-]2)c1 ZINC001318739780 806324842 /nfs/dbraw/zinc/32/48/42/806324842.db2.gz RYLASLKDJUDYSH-UHFFFAOYSA-N -1 0 304.266 -0.759 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]N2CCOC2=O)o1 ZINC000862698124 806330122 /nfs/dbraw/zinc/33/01/22/806330122.db2.gz GRKLPZBFWCQJLY-UHFFFAOYSA-N -1 0 303.296 -0.373 20 0 DBADRM O=C(CCn1cnc2sccc2c1=O)NCc1n[nH]c(=O)[n-]1 ZINC001318973049 806336450 /nfs/dbraw/zinc/33/64/50/806336450.db2.gz JCLLVWLKBITCIC-UHFFFAOYSA-N -1 0 320.334 -0.012 20 0 DBADRM CC(C)OC[C@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000863416061 806356020 /nfs/dbraw/zinc/35/60/20/806356020.db2.gz BESSJCPMSPMNBE-VIFPVBQESA-N -1 0 317.367 -0.014 20 0 DBADRM COc1cncc(S(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])c1 ZINC000863407372 806356482 /nfs/dbraw/zinc/35/64/82/806356482.db2.gz HDGYQZPFJBVMDW-SNVBAGLBSA-N -1 0 302.308 -0.199 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N(C)C2CCOCC2)C[C@@H](C(=O)[O-])O1 ZINC000863429231 806356995 /nfs/dbraw/zinc/35/69/95/806356995.db2.gz AMAGBRWXGKIHHS-KOLCDFICSA-N -1 0 322.383 -0.484 20 0 DBADRM COC(=O)c1cc([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)nn1C ZINC000863449183 806359187 /nfs/dbraw/zinc/35/91/87/806359187.db2.gz XLPBSPQSFWDAQC-ZETCQYMHSA-N -1 0 318.355 -0.575 20 0 DBADRM CCO[N-]C(=O)CN1C(=O)[C@H]2CC[C@H](C(=O)OC)CN2C1=O ZINC000863512787 806360804 /nfs/dbraw/zinc/36/08/04/806360804.db2.gz NQZCNLQVTWFBKZ-DTWKUNHWSA-N -1 0 313.310 -0.730 20 0 DBADRM O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)c1cc(=O)[nH][n-]1 ZINC000863498527 806360850 /nfs/dbraw/zinc/36/08/50/806360850.db2.gz OGVOUZGILCABAQ-LBPRGKRZSA-N -1 0 317.349 -0.726 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)C[C@@H]1C(=O)[O-] ZINC000863745968 806370359 /nfs/dbraw/zinc/37/03/59/806370359.db2.gz DOEQOSIQZBSKGI-ZRUFSTJUSA-N -1 0 324.333 -0.813 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)CC[C@@H]1C(=O)[O-] ZINC000863747772 806371195 /nfs/dbraw/zinc/37/11/95/806371195.db2.gz RVNLFYDMMPSGRP-CHWFTXMASA-N -1 0 324.333 -0.813 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC000864059058 806385914 /nfs/dbraw/zinc/38/59/14/806385914.db2.gz ZOTMCJSSCJAGBD-KGLIPLIRSA-N -1 0 312.322 -0.175 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cccc2c1OCCO2 ZINC001319517506 806387215 /nfs/dbraw/zinc/38/72/15/806387215.db2.gz UWIJNAVXYCOPFR-UHFFFAOYSA-N -1 0 304.266 -0.774 20 0 DBADRM O=C([O-])COCCNC(=O)CCn1nnc2ccccc2c1=O ZINC000864171898 806391460 /nfs/dbraw/zinc/39/14/60/806391460.db2.gz LHFLAUWPPOBWJP-UHFFFAOYSA-N -1 0 320.305 -0.601 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000864163752 806391481 /nfs/dbraw/zinc/39/14/81/806391481.db2.gz UVQNNAIWCXCXKX-DUMNWFOQSA-N -1 0 319.317 -0.613 20 0 DBADRM CS(=O)(=O)c1ccc(/C=C\C(=O)NCCOCC(=O)[O-])o1 ZINC000864139204 806391664 /nfs/dbraw/zinc/39/16/64/806391664.db2.gz IWNMUMCGLIGVIT-RQOWECAXSA-N -1 0 317.319 -0.086 20 0 DBADRM C[C@H](NC(=O)c1cc(C(=O)[O-])nn1C)c1nnnn1C1CC1 ZINC000864203347 806392007 /nfs/dbraw/zinc/39/20/07/806392007.db2.gz TZNLZMDMSXFAFC-LURJTMIESA-N -1 0 305.298 -0.069 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@H]2CC3(CO2)CCOCC3)nn1 ZINC000864215992 806392072 /nfs/dbraw/zinc/39/20/72/806392072.db2.gz IMJQXOIBNHPTBF-SNVBAGLBSA-N -1 0 324.337 -0.322 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)S1(=O)=O ZINC000864211542 806392109 /nfs/dbraw/zinc/39/21/09/806392109.db2.gz UOXYYWOPPDVRIZ-KIKITERTSA-N -1 0 302.352 -0.610 20 0 DBADRM C[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)c1nnnn1C1CC1 ZINC000864202404 806392129 /nfs/dbraw/zinc/39/21/29/806392129.db2.gz DHBJABAVZNXQSC-ZCFIWIBFSA-N -1 0 303.282 -0.013 20 0 DBADRM CN1CC[C@H](C(=O)N[C@](C)(CC(=O)[O-])C2CC2)S1(=O)=O ZINC000864201221 806392195 /nfs/dbraw/zinc/39/21/95/806392195.db2.gz PLRSONMMHLEKMD-BXKDBHETSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)c1nnnn1C1CC1 ZINC000864202397 806392406 /nfs/dbraw/zinc/39/24/06/806392406.db2.gz DHBJABAVZNXQSC-LURJTMIESA-N -1 0 303.282 -0.013 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[N-]OC(C)(C)C ZINC001319590057 806394551 /nfs/dbraw/zinc/39/45/51/806394551.db2.gz YOULIJLOAUSZJW-QMMMGPOBSA-N -1 0 304.372 -0.067 20 0 DBADRM O=C([O-])CCC12CC(C1)CN2S(=O)(=O)N1CCOCC1 ZINC000864454403 806394952 /nfs/dbraw/zinc/39/49/52/806394952.db2.gz NJKFTEXZDKCNPI-UHFFFAOYSA-N -1 0 304.368 -0.107 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1=O ZINC000864496960 806395648 /nfs/dbraw/zinc/39/56/48/806395648.db2.gz WRJMSPQZGSQIRJ-JOYOIKCWSA-N -1 0 304.368 -0.266 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1=O ZINC000864496962 806395683 /nfs/dbraw/zinc/39/56/83/806395683.db2.gz WRJMSPQZGSQIRJ-SKDRFNHKSA-N -1 0 304.368 -0.266 20 0 DBADRM CCn1c2ccccc2n(CC(=O)NCc2nc(=O)o[n-]2)c1=O ZINC001319662920 806400864 /nfs/dbraw/zinc/40/08/64/806400864.db2.gz QESMYKNWYJAHTO-UHFFFAOYSA-N -1 0 317.305 -0.184 20 0 DBADRM COCCCNC(=O)[C@@H](C)S(=O)(=O)c1nc(COC)n[n-]1 ZINC001319690519 806402492 /nfs/dbraw/zinc/40/24/92/806402492.db2.gz LYVPRDPLXWFZBP-MRVPVSSYSA-N -1 0 320.371 -0.734 20 0 DBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)NCc1nc(=O)o[n-]1 ZINC001319724457 806405475 /nfs/dbraw/zinc/40/54/75/806405475.db2.gz RJTDLISSAHTFIJ-UHFFFAOYSA-N -1 0 305.250 -0.559 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NC[C@@H]2COCCO2)cc1 ZINC000865456400 806417361 /nfs/dbraw/zinc/41/73/61/806417361.db2.gz JVYIDESHOQVGJH-CYBMUJFWSA-N -1 0 305.338 -0.021 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NC[C@H]2COCCO2)cc1 ZINC000865456403 806418219 /nfs/dbraw/zinc/41/82/19/806418219.db2.gz JVYIDESHOQVGJH-ZDUSSCGKSA-N -1 0 305.338 -0.021 20 0 DBADRM CC(C)Cc1cc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001319937682 806419911 /nfs/dbraw/zinc/41/99/11/806419911.db2.gz QPZUEHNZWMDMOG-UHFFFAOYSA-N -1 0 321.341 -0.303 20 0 DBADRM CCN(OC)C(=O)CN=c1nn[n-]n1Cc1ccc(OC)cc1 ZINC000865900639 806426916 /nfs/dbraw/zinc/42/69/16/806426916.db2.gz AVLAREQSBYJHIY-UHFFFAOYSA-N -1 0 320.353 -0.026 20 0 DBADRM NC(=O)CO[N-]C(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001320028652 806431416 /nfs/dbraw/zinc/43/14/16/806431416.db2.gz XPWFWVDFBZWHBG-UHFFFAOYSA-N -1 0 306.253 -0.482 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CC(=O)N1CCCCC1 ZINC000866493991 806443811 /nfs/dbraw/zinc/44/38/11/806443811.db2.gz FWGKFBNTEAXAKT-GOSISDBHSA-N -1 0 311.429 -0.049 20 0 DBADRM O=C(CSc1nnc2ccccn21)NCc1nc(=O)o[n-]1 ZINC001320120176 806441290 /nfs/dbraw/zinc/44/12/90/806441290.db2.gz GFQQSZJJLPGKAN-UHFFFAOYSA-N -1 0 306.307 -0.186 20 0 DBADRM C[S@](=O)CCN1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000866942055 806465896 /nfs/dbraw/zinc/46/58/96/806465896.db2.gz OBUXSWTXYCOEQN-SFHVURJKSA-N -1 0 306.413 -0.906 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H]1CN2CCN1CC2 ZINC000866994154 806467258 /nfs/dbraw/zinc/46/72/58/806467258.db2.gz GWPQPCSLRVOWEX-NSHDSACASA-N -1 0 324.472 -0.672 20 0 DBADRM CCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)N=S(C)(C)=O ZINC000867106176 806472173 /nfs/dbraw/zinc/47/21/73/806472173.db2.gz XGNIVBKKXJBUQD-RKDXNWHRSA-N -1 0 300.402 -0.258 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H](C)C(=O)N1CCCC1 ZINC000867224829 806481253 /nfs/dbraw/zinc/48/12/53/806481253.db2.gz DWHXGUHXNYBGMV-NIVTXAMTSA-N -1 0 311.429 -0.051 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CC1([S@@](C)=O)CC1 ZINC000867228442 806482423 /nfs/dbraw/zinc/48/24/23/806482423.db2.gz SOUCVCLXLCLSBN-HZPDHXFCSA-N -1 0 302.443 -0.150 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](OC)[C@@H]1CCOC1 ZINC000867498027 806502513 /nfs/dbraw/zinc/50/25/13/806502513.db2.gz UTRLNVUNCMEKDI-MHNGPXOMSA-N -1 0 314.429 -0.010 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)[N-]OCCO)CC1 ZINC000867495938 806502708 /nfs/dbraw/zinc/50/27/08/806502708.db2.gz UYWPHSODYNVXJL-UHFFFAOYSA-N -1 0 303.359 -0.421 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@@H]1COCCN1C ZINC000867562693 806508014 /nfs/dbraw/zinc/50/80/14/806508014.db2.gz RFOIOLQRECWSPX-SECBINFHSA-N -1 0 318.351 -0.325 20 0 DBADRM Cn1c2ccc(S(=O)(=O)[N-]N3CCCC3=O)cc2n(C)c1=O ZINC000867595176 806510418 /nfs/dbraw/zinc/51/04/18/806510418.db2.gz ZDFXDDPKQLTDMH-UHFFFAOYSA-N -1 0 324.362 -0.307 20 0 DBADRM CCC(=O)Nc1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1 ZINC001320728191 806521815 /nfs/dbraw/zinc/52/18/15/806521815.db2.gz LGQGHBKTXNXXGU-UHFFFAOYSA-N -1 0 308.294 -0.493 20 0 DBADRM COc1c(F)cc(NC(=O)C(=O)[N-]OCC(N)=O)cc1F ZINC001320729110 806521907 /nfs/dbraw/zinc/52/19/07/806521907.db2.gz WPUGNKLJSBHERN-UHFFFAOYSA-N -1 0 303.221 -0.555 20 0 DBADRM CC[C@H](C)n1ncc(NC(=O)C(=O)NCc2nnn[n-]2)c1C ZINC001320722362 806520609 /nfs/dbraw/zinc/52/06/09/806520609.db2.gz CWGWBVFLYNECGO-ZETCQYMHSA-N -1 0 306.330 -0.069 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(C(F)F)C2)C1 ZINC000868347602 806544407 /nfs/dbraw/zinc/54/44/07/806544407.db2.gz GUSUJXIOQIESLR-AMIZOPFISA-N -1 0 320.292 -0.462 20 0 DBADRM CN(CC(=O)[N-]OC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC001320908449 806541275 /nfs/dbraw/zinc/54/12/75/806541275.db2.gz SFRDXXLEMAXQMW-QWRGUYRKSA-N -1 0 306.384 -0.810 20 0 DBADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N3CCC3)C2)cn1 ZINC000868331028 806542799 /nfs/dbraw/zinc/54/27/99/806542799.db2.gz QVGLFAVSNOXREC-WDEREUQCSA-N -1 0 320.349 -0.331 20 0 DBADRM C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000868332505 806543092 /nfs/dbraw/zinc/54/30/92/806543092.db2.gz FZQJGXMKZWHMJL-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C[C@@H]1CO ZINC000868342240 806544029 /nfs/dbraw/zinc/54/40/29/806544029.db2.gz ADCDCDJGUPYOJZ-QJPTWQEYSA-N -1 0 312.366 -0.214 20 0 DBADRM CN(CCCCCO)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000868336918 806544175 /nfs/dbraw/zinc/54/41/75/806544175.db2.gz IJIYTPHGKQSCEK-LLVKDONJSA-N -1 0 300.355 -0.069 20 0 DBADRM O=C(COCC(=O)NCc1cccnc1)[N-]OC[C@H]1CCOC1 ZINC001320988952 806551994 /nfs/dbraw/zinc/55/19/94/806551994.db2.gz LHKIMPMYRRQIIJ-ZDUSSCGKSA-N -1 0 323.349 -0.201 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@H]1CC2(CO1)CCOCC2 ZINC000868748366 806563527 /nfs/dbraw/zinc/56/35/27/806563527.db2.gz QEAFBWFEGTVXJV-LLVKDONJSA-N -1 0 315.370 -0.061 20 0 DBADRM C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)N[C@H]2CCNC2=O)C1 ZINC000868758037 806563844 /nfs/dbraw/zinc/56/38/44/806563844.db2.gz KEINBSCCZUOZBE-WRWORJQWSA-N -1 0 322.287 -0.273 20 0 DBADRM COc1nccc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)n1 ZINC001321147876 806580341 /nfs/dbraw/zinc/58/03/41/806580341.db2.gz APPJLOJMTJHRRX-IHWYPQMZSA-N -1 0 319.325 -0.615 20 0 DBADRM Cn1nnnc1CCOC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000869488264 806582902 /nfs/dbraw/zinc/58/29/02/806582902.db2.gz PKWJKVZZFACRKY-UHFFFAOYSA-N -1 0 309.248 -0.247 20 0 DBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N[C@H]1COC[C@H]1O ZINC000869934364 806587524 /nfs/dbraw/zinc/58/75/24/806587524.db2.gz IMGRILFKRBRFBU-WDEREUQCSA-N -1 0 321.358 -0.439 20 0 DBADRM C[C@]1(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)CCC(=O)NC1 ZINC001321221058 806588634 /nfs/dbraw/zinc/58/86/34/806588634.db2.gz DQMNFVVHBKBANB-SFAKSCPVSA-N -1 0 322.369 -0.811 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCO[C@H](CN3CCOCC3)C2)c1[O-] ZINC000870064511 806594049 /nfs/dbraw/zinc/59/40/49/806594049.db2.gz AEKHCKXIDIPRHY-LLVKDONJSA-N -1 0 310.354 -0.403 20 0 DBADRM NS(=O)(=O)c1cnn(CC(=O)[N-]OCC(F)(F)F)c1 ZINC001321298747 806601522 /nfs/dbraw/zinc/60/15/22/806601522.db2.gz HOXAICWVVBCZTK-UHFFFAOYSA-N -1 0 302.234 -0.859 20 0 DBADRM CC[C@@]1(C(=O)[N-]S(=O)(=O)CC(F)(F)F)CCNC1=O ZINC000870216310 806597147 /nfs/dbraw/zinc/59/71/47/806597147.db2.gz GPEPGZDGSMTERA-MRVPVSSYSA-N -1 0 302.274 -0.089 20 0 DBADRM CC[C@]1(C(=O)[N-]S(=O)(=O)CC(F)(F)F)CCNC1=O ZINC000870216311 806597298 /nfs/dbraw/zinc/59/72/98/806597298.db2.gz GPEPGZDGSMTERA-QMMMGPOBSA-N -1 0 302.274 -0.089 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)COC)cn1 ZINC000870205828 806597648 /nfs/dbraw/zinc/59/76/48/806597648.db2.gz VZQUXYHSJXIYSR-VIFPVBQESA-N -1 0 305.356 -0.376 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cnn(C(F)F)c1 ZINC000870214389 806597676 /nfs/dbraw/zinc/59/76/76/806597676.db2.gz MFJBSZDHSSPKFQ-UHFFFAOYSA-N -1 0 310.282 -0.415 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)cn1 ZINC000870277417 806598554 /nfs/dbraw/zinc/59/85/54/806598554.db2.gz DFPFERCFKLQLTF-NSHDSACASA-N -1 0 317.367 -0.232 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC000870236251 806598620 /nfs/dbraw/zinc/59/86/20/806598620.db2.gz BLTPOMBEQGWWDA-JTQLQIEISA-N -1 0 318.399 -0.233 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)[N-]S(=O)(=O)C2(C)CC2)C[C@H]1C ZINC000870355331 806599966 /nfs/dbraw/zinc/59/99/66/806599966.db2.gz CMSJKKMZVPXWCC-IWSPIJDZSA-N -1 0 305.352 -0.049 20 0 DBADRM CCC(C)(C)CS(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000870660890 806604636 /nfs/dbraw/zinc/60/46/36/806604636.db2.gz MFXLLAVJGQLYNJ-UHFFFAOYSA-N -1 0 306.384 -0.273 20 0 DBADRM Cn1cc(NC(=O)c2c[n-]n3c2nccc3=O)cc1C(N)=O ZINC001321485685 806629642 /nfs/dbraw/zinc/62/96/42/806629642.db2.gz OFOUWSFJALYQMD-UHFFFAOYSA-N -1 0 300.278 -0.288 20 0 DBADRM CCS(=O)(=O)N1CCN(c2cc(C(=O)[O-])ncn2)CC1 ZINC000871593419 806640223 /nfs/dbraw/zinc/64/02/23/806640223.db2.gz KGNCXKODNUPRAC-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]([C@@H]2CCCO2)CCN1S(=O)(=O)NC1CC1 ZINC000871740520 806641194 /nfs/dbraw/zinc/64/11/94/806641194.db2.gz QGZZTALEXMSXSM-VWYCJHECSA-N -1 0 304.368 -0.063 20 0 DBADRM CC1(C)CN(S(=O)(=O)C[C@H]2CCOC2)[C@H](C(=O)[O-])CO1 ZINC000871742073 806641351 /nfs/dbraw/zinc/64/13/51/806641351.db2.gz JRNXYNUCZCMSPU-UWVGGRQHSA-N -1 0 307.368 -0.083 20 0 DBADRM CC1(C)CN(S(=O)(=O)C[C@@H]2CCOC2)[C@@H](C(=O)[O-])CO1 ZINC000871742072 806641656 /nfs/dbraw/zinc/64/16/56/806641656.db2.gz JRNXYNUCZCMSPU-NXEZZACHSA-N -1 0 307.368 -0.083 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)Cc2cccc(F)c2F)C1 ZINC000871997372 806645851 /nfs/dbraw/zinc/64/58/51/806645851.db2.gz QUTLEMXFAFCLOS-UHFFFAOYSA-N -1 0 307.274 -0.074 20 0 DBADRM COCCN(C1CCOCC1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000872000244 806646594 /nfs/dbraw/zinc/64/65/94/806646594.db2.gz GUCFLABIZZBNHP-UHFFFAOYSA-N -1 0 324.399 -0.235 20 0 DBADRM CN(C)c1cccc(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC000871997283 806646734 /nfs/dbraw/zinc/64/67/34/806646734.db2.gz MBNBIRBXSWJVIG-UHFFFAOYSA-N -1 0 300.336 -0.427 20 0 DBADRM CN1CCc2ccc(S(=O)(=O)N3CC(O)(C(=O)[O-])C3)cc21 ZINC000871996513 806646847 /nfs/dbraw/zinc/64/68/47/806646847.db2.gz AGJVAQWGVFBOBL-UHFFFAOYSA-N -1 0 312.347 -0.501 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C(F)F)C2)C1 ZINC000872183784 806647954 /nfs/dbraw/zinc/64/79/54/806647954.db2.gz KAMXZBBTJQRWHF-YUMQZZPRSA-N -1 0 306.265 -0.588 20 0 DBADRM CO[C@@H]1Cc2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc2C1 ZINC001321688431 806658331 /nfs/dbraw/zinc/65/83/31/806658331.db2.gz BDVNQPYPXVTIGW-LLVKDONJSA-N -1 0 307.306 -0.728 20 0 DBADRM C[C@H](CN(C)C(=O)c1ccnc2c1nnn2C)c1nnn[n-]1 ZINC001321738947 806663893 /nfs/dbraw/zinc/66/38/93/806663893.db2.gz JMQCOLVAZCKVQX-SSDOTTSWSA-N -1 0 301.314 -0.248 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]OC[C@@H]1CCOC1 ZINC001321781823 806669825 /nfs/dbraw/zinc/66/98/25/806669825.db2.gz DLLYGHOYHTYVAG-NEPJUHHUSA-N -1 0 313.354 -0.802 20 0 DBADRM CN1CC[C@H](C(=O)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)S1(=O)=O ZINC000872764929 806671615 /nfs/dbraw/zinc/67/16/15/806671615.db2.gz FBJXTYBMHAGLOO-GBIKHYSHSA-N -1 0 316.379 -0.124 20 0 DBADRM CN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001321929777 806688566 /nfs/dbraw/zinc/68/85/66/806688566.db2.gz VRHUPNOCVCIOOS-DTORHVGOSA-N -1 0 317.367 -0.916 20 0 DBADRM C[C@H](C[N@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)c1cnc[nH]c1=O ZINC001322183521 806718598 /nfs/dbraw/zinc/71/85/98/806718598.db2.gz REOWMPIHFUFJID-PSASIEDQSA-N -1 0 321.337 -0.963 20 0 DBADRM Cn1ccc2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc2c1=O ZINC001322289259 806731488 /nfs/dbraw/zinc/73/14/88/806731488.db2.gz ODHAQWHTIVUMAY-UHFFFAOYSA-N -1 0 318.289 -0.990 20 0 DBADRM CO[C@@H]1CCN(C(=O)NCCCS(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC001322514432 806748539 /nfs/dbraw/zinc/74/85/39/806748539.db2.gz POXAZMWNBAHLMZ-NXEZZACHSA-N -1 0 322.383 -0.305 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@@H](C)[C@](C)(C(=O)OC)C1 ZINC000875698165 806763214 /nfs/dbraw/zinc/76/32/14/806763214.db2.gz JNMXJPHOAFLPKJ-NOZJJQNGSA-N -1 0 301.343 -0.105 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001322732467 806772890 /nfs/dbraw/zinc/77/28/90/806772890.db2.gz GQOTZODWAADWSU-UHFFFAOYSA-N -1 0 309.388 -0.866 20 0 DBADRM COc1ccccc1CO[N-]C(=O)C(=O)NCc1nnn(C)n1 ZINC001322940132 806801369 /nfs/dbraw/zinc/80/13/69/806801369.db2.gz JWCNUULNHMLAHX-UHFFFAOYSA-N -1 0 320.309 -0.917 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)CCC1=O ZINC001322973680 806805589 /nfs/dbraw/zinc/80/55/89/806805589.db2.gz DBQMACBGLGVXAF-SSDOTTSWSA-N -1 0 311.260 -0.276 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC001323383682 806865670 /nfs/dbraw/zinc/86/56/70/806865670.db2.gz YVMJOSLGUYOUQV-UHFFFAOYSA-N -1 0 321.380 -0.660 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC001323404341 806869484 /nfs/dbraw/zinc/86/94/84/806869484.db2.gz QHRRUARJCXJTRS-MFKMUULPSA-N -1 0 318.395 -0.149 20 0 DBADRM O=C(c1ccc2n[nH]c(=O)n2c1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001323441884 806874891 /nfs/dbraw/zinc/87/48/91/806874891.db2.gz CGFAFRBIDXWONK-MRVPVSSYSA-N -1 0 314.309 -0.032 20 0 DBADRM CN(C)C(=O)N1CCC(C(=O)NCCCc2n[nH]c(=O)[n-]2)CC1 ZINC001323509157 806882024 /nfs/dbraw/zinc/88/20/24/806882024.db2.gz WUQKDWRLSQBGAN-UHFFFAOYSA-N -1 0 324.385 -0.047 20 0 DBADRM COCCn1[n-]c(C)c(C(=O)N[C@@H](C)c2nncn2C)c1=O ZINC001323577997 806889811 /nfs/dbraw/zinc/88/98/11/806889811.db2.gz OKLAVPPNKRWMIY-UWVGGRQHSA-N -1 0 308.342 -0.527 20 0 DBADRM Cn1cnc(NC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000879657741 806896262 /nfs/dbraw/zinc/89/62/62/806896262.db2.gz ZWUANETWKLQZGH-UHFFFAOYSA-N -1 0 306.248 -0.043 20 0 DBADRM C[S@](=N)(=O)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000879945940 806907549 /nfs/dbraw/zinc/90/75/49/806907549.db2.gz VNWMPKZFKQKKIZ-OAQYLSRUSA-N -1 0 310.383 -0.268 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1OC ZINC001323761637 806911862 /nfs/dbraw/zinc/91/18/62/806911862.db2.gz QWUUPLWSBQYWNX-MXWKQRLJSA-N -1 0 304.343 -0.621 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000880390409 806922561 /nfs/dbraw/zinc/92/25/61/806922561.db2.gz QVAUAYLNXUKIFJ-ZCFIWIBFSA-N -1 0 322.243 -0.125 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1COCCN1CC(F)F ZINC000880390854 806922805 /nfs/dbraw/zinc/92/28/05/806922805.db2.gz WNSFORXJNRUWQF-ZETCQYMHSA-N -1 0 306.269 -0.713 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cc1c(Br)cnn1C ZINC000880542117 806928477 /nfs/dbraw/zinc/92/84/77/806928477.db2.gz QVJLYRMGMWIWHI-UHFFFAOYSA-N -1 0 319.159 -0.091 20 0 DBADRM O=C([N-]OCCC(F)(F)F)C(=O)NCc1nnnn1C1CC1 ZINC001324002483 806935973 /nfs/dbraw/zinc/93/59/73/806935973.db2.gz WTXZEAZZLILYSZ-UHFFFAOYSA-N -1 0 322.247 -0.376 20 0 DBADRM C[C@](O)(CNC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)[O-] ZINC001324046567 806940030 /nfs/dbraw/zinc/94/00/30/806940030.db2.gz PWGRXRDHCYDVTD-HNNXBMFYSA-N -1 0 320.301 -0.095 20 0 DBADRM O=C(Cn1cc(C[N-]C(=O)C(F)(F)F)nn1)NCC1CC1 ZINC000881328124 806940722 /nfs/dbraw/zinc/94/07/22/806940722.db2.gz DIFKJAVUYPAONY-UHFFFAOYSA-N -1 0 305.260 -0.017 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCC(C)(C)S(C)(=O)=O ZINC001324201537 806951985 /nfs/dbraw/zinc/95/19/85/806951985.db2.gz AHNYOXKJRJGSIY-UHFFFAOYSA-N -1 0 312.413 -0.663 20 0 DBADRM CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000882198216 806970044 /nfs/dbraw/zinc/97/00/44/806970044.db2.gz QTSQWCLVWGICGX-QMMMGPOBSA-N -1 0 320.383 -0.015 20 0 DBADRM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NOCCO ZINC001324418181 806972863 /nfs/dbraw/zinc/97/28/63/806972863.db2.gz YKZJMOJAWDMPAV-UHFFFAOYSA-N -1 0 305.294 -0.470 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCOC[C@H]1CCOC1 ZINC001324420665 806972988 /nfs/dbraw/zinc/97/29/88/806972988.db2.gz SIWSSXGSFRRQQD-NWDGAFQWSA-N -1 0 316.354 -0.760 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000882858143 807003629 /nfs/dbraw/zinc/00/36/29/807003629.db2.gz ABPWTAJLZARESX-GIGQVBGESA-N -1 0 323.440 -0.051 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NC(N)=O ZINC000010265572 803745424 /nfs/dbraw/zinc/74/54/24/803745424.db2.gz JPJOHQIVBDWNSK-UHFFFAOYSA-N -1 0 315.307 -0.590 20 0 DBADRM O=C(C=Cc1ccco1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001278042187 803746460 /nfs/dbraw/zinc/74/64/60/803746460.db2.gz YTONOQKALJFQJU-NWALNABHSA-N -1 0 307.310 -0.617 20 0 DBADRM CC[C@H](C)CN1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001278125268 803756838 /nfs/dbraw/zinc/75/68/38/803756838.db2.gz YDRRWJSZRMPZRX-QMMMGPOBSA-N -1 0 304.358 -0.031 20 0 DBADRM CC[C@H](C)CN1CCn2c(nnc2C(=O)N=c2nn[n-]n2C)C1 ZINC001278125257 803757342 /nfs/dbraw/zinc/75/73/42/803757342.db2.gz XVWVJUWISIXSNS-VIFPVBQESA-N -1 0 319.373 -0.663 20 0 DBADRM Cn1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cn1 ZINC000032630786 803758957 /nfs/dbraw/zinc/75/89/57/803758957.db2.gz TYUBRNUSZHHLPE-UHFFFAOYSA-N -1 0 321.318 -0.249 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2cccnc2)o1 ZINC000031551604 803759704 /nfs/dbraw/zinc/75/97/04/803759704.db2.gz IAIAILUWKVTUGM-UHFFFAOYSA-N -1 0 324.318 -0.343 20 0 DBADRM CC(C)NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037832874 803760643 /nfs/dbraw/zinc/76/06/43/803760643.db2.gz XYWGQYGIEGLPRL-UHFFFAOYSA-N -1 0 303.340 -0.142 20 0 DBADRM CN(C)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000037207192 803760830 /nfs/dbraw/zinc/76/08/30/803760830.db2.gz PAIMGBPMXWYXNL-UHFFFAOYSA-N -1 0 304.299 -0.110 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000037225711 803761065 /nfs/dbraw/zinc/76/10/65/803761065.db2.gz DMFQQKKDLRTSGF-VIFPVBQESA-N -1 0 303.292 -0.803 20 0 DBADRM CC[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000040537227 803762244 /nfs/dbraw/zinc/76/22/44/803762244.db2.gz WCNQFXQXJRYTLU-SNVBAGLBSA-N -1 0 315.351 -0.004 20 0 DBADRM Cc1ccc(NC(=O)COCC(=O)[O-])cc1S(N)(=O)=O ZINC000041064254 803762327 /nfs/dbraw/zinc/76/23/27/803762327.db2.gz HQYJNCVZQQKHEK-UHFFFAOYSA-N -1 0 302.308 -0.318 20 0 DBADRM CCCCN(C(=O)COCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000041063450 803762755 /nfs/dbraw/zinc/76/27/55/803762755.db2.gz QEZMOEVRMIRDCA-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM CC(C)CCN1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001278174241 803763870 /nfs/dbraw/zinc/76/38/70/803763870.db2.gz ZZDNNNKJTMRJFY-UHFFFAOYSA-N -1 0 304.358 -0.031 20 0 DBADRM O=C([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@@H](O)CO)c1 ZINC000090283367 803800789 /nfs/dbraw/zinc/80/07/89/803800789.db2.gz JCLGOTNIFFXQKM-SSDOTTSWSA-N -1 0 309.727 -0.330 20 0 DBADRM O=C(c1ccncc1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000091538789 803801795 /nfs/dbraw/zinc/80/17/95/803801795.db2.gz HWQBCDPGXXPYHX-UHFFFAOYSA-N -1 0 302.338 -0.159 20 0 DBADRM CN(C(=O)NCC(C)(C)NS(C)(=O)=O)C(C)(C)C(=O)[O-] ZINC000111774706 803807217 /nfs/dbraw/zinc/80/72/17/803807217.db2.gz NYSAFRIDAAZXQN-UHFFFAOYSA-N -1 0 309.388 -0.181 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NCC[C@H](C)C(=O)[O-])cn1C ZINC000128919225 803812518 /nfs/dbraw/zinc/81/25/18/803812518.db2.gz WZJXAEKOSOIXNB-QMMMGPOBSA-N -1 0 317.367 -0.226 20 0 DBADRM CC(C)(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCS(C)(=O)=O ZINC000136736433 803816873 /nfs/dbraw/zinc/81/68/73/803816873.db2.gz LBNNVARVJSWVPZ-MRVPVSSYSA-N -1 0 315.413 -0.160 20 0 DBADRM C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000136092100 803816982 /nfs/dbraw/zinc/81/69/82/803816982.db2.gz YVCDXOCNADYFID-MRVPVSSYSA-N -1 0 316.335 -0.308 20 0 DBADRM CC(C)(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCS(C)(=O)=O ZINC000136736471 803818498 /nfs/dbraw/zinc/81/84/98/803818498.db2.gz LBNNVARVJSWVPZ-QMMMGPOBSA-N -1 0 315.413 -0.160 20 0 DBADRM COCCOCCCCNC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000166584163 803823357 /nfs/dbraw/zinc/82/33/57/803823357.db2.gz LQAGMKWVEJXNQM-LLVKDONJSA-N -1 0 304.343 -0.075 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc2nonc21 ZINC000275289814 803833870 /nfs/dbraw/zinc/83/38/70/803833870.db2.gz LWRSYASXSSGVNB-SVRRBLITSA-N -1 0 313.291 -0.569 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@H](O)[C@H](CO)C2)ccc1F ZINC000316412420 803839984 /nfs/dbraw/zinc/83/99/84/803839984.db2.gz OFFOORBORKEVGU-CPCISQLKSA-N -1 0 319.310 -0.502 20 0 DBADRM Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)cc1C(=O)[O-] ZINC000316782722 803839997 /nfs/dbraw/zinc/83/99/97/803839997.db2.gz FAVKADSPCUUNIH-SKDRFNHKSA-N -1 0 315.347 -0.333 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2COC[C@H]2O)ccc1F ZINC000323085460 803840333 /nfs/dbraw/zinc/84/03/33/803840333.db2.gz QWHCRXOVXLOKGA-NXEZZACHSA-N -1 0 305.283 -0.438 20 0 DBADRM O=C([O-])CCc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1 ZINC000323176263 803840675 /nfs/dbraw/zinc/84/06/75/803840675.db2.gz OGIZALQAVIUANJ-VXGBXAGGSA-N -1 0 315.347 -0.258 20 0 DBADRM C/C(=C/C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001278843545 803842985 /nfs/dbraw/zinc/84/29/85/803842985.db2.gz GIXZEJKOXAQUHN-WTKPLQERSA-N -1 0 307.354 -0.471 20 0 DBADRM COC1(C(=O)[O-])CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000380216677 803852103 /nfs/dbraw/zinc/85/21/03/803852103.db2.gz IHYOPYLLXUVTQT-UHFFFAOYSA-N -1 0 303.340 -0.326 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCn2cnnc2)ccc1O ZINC000382021418 803852749 /nfs/dbraw/zinc/85/27/49/803852749.db2.gz OIEMMHRKOZFJQJ-UHFFFAOYSA-N -1 0 312.307 -0.340 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCCn2cncn2)CCOCC1 ZINC000382058249 803853696 /nfs/dbraw/zinc/85/36/96/803853696.db2.gz ZXROPRUOGNRZBC-UHFFFAOYSA-N -1 0 311.342 -0.151 20 0 DBADRM COc1ccc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1 ZINC000386464549 803855749 /nfs/dbraw/zinc/85/57/49/803855749.db2.gz NWEVCTLGWGHPNG-GFCCVEGCSA-N -1 0 301.320 -0.095 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@]2(CO)CCOC2)ccc1O ZINC000393882944 803859889 /nfs/dbraw/zinc/85/98/89/803859889.db2.gz MRZILTYHQSIZSK-LBPRGKRZSA-N -1 0 317.319 -0.480 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cn3ccccc3n2)CC1 ZINC000396741756 803862083 /nfs/dbraw/zinc/86/20/83/803862083.db2.gz RLYMIWKGMULFLW-UHFFFAOYSA-N -1 0 302.290 -0.297 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC000396695382 803862268 /nfs/dbraw/zinc/86/22/68/803862268.db2.gz WLERVJZWFPBRAZ-LLVKDONJSA-N -1 0 311.338 -1.000 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](CO)C2)c1 ZINC000396894509 803862346 /nfs/dbraw/zinc/86/23/46/803862346.db2.gz RXYUOVNJBPKZFY-ZYHUDNBSSA-N -1 0 315.347 -0.251 20 0 DBADRM C[C@@H](NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[C@H]1CCCOC1 ZINC000396732563 803862474 /nfs/dbraw/zinc/86/24/74/803862474.db2.gz RCDSZYWZEDLOBW-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)CCS(C)(=O)=O ZINC000397085568 803862824 /nfs/dbraw/zinc/86/28/24/803862824.db2.gz ITEQRAPMYJHPKF-BDAKNGLRSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CS1 ZINC000397881428 803863114 /nfs/dbraw/zinc/86/31/14/803863114.db2.gz KQNHSAKYDPSWSX-BDAKNGLRSA-N -1 0 301.368 -0.181 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CNC(=O)C2)ccc1O ZINC000398350018 803863294 /nfs/dbraw/zinc/86/32/94/803863294.db2.gz ISXJCFCKAXCDRY-SSDOTTSWSA-N -1 0 314.319 -0.495 20 0 DBADRM Cn1nnc(CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC000398115118 803863585 /nfs/dbraw/zinc/86/35/85/803863585.db2.gz YRLYSWFSAAUPKL-UHFFFAOYSA-N -1 0 315.286 -0.474 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCOC[C@@H](O)C2)c1 ZINC000399963307 803864114 /nfs/dbraw/zinc/86/41/14/803864114.db2.gz TUTPRIYXZAONAE-VIFPVBQESA-N -1 0 319.310 -0.094 20 0 DBADRM CN(C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(C)(C)C(=O)[O-] ZINC000400186503 803864333 /nfs/dbraw/zinc/86/43/33/803864333.db2.gz JUSLVSNOZZEVRI-MRVPVSSYSA-N -1 0 307.372 -0.475 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)CCS(C)(=O)=O ZINC000399699791 803864387 /nfs/dbraw/zinc/86/43/87/803864387.db2.gz BWUGVKUWAGBEHL-DTWKUNHWSA-N -1 0 315.413 -0.304 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCOC[C@@H](O)C2)ccc1F ZINC000399967416 803864458 /nfs/dbraw/zinc/86/44/58/803864458.db2.gz VWWOMMCQNHISRU-QMMMGPOBSA-N -1 0 319.310 -0.094 20 0 DBADRM CN(C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C(=O)[O-] ZINC000400123958 803864478 /nfs/dbraw/zinc/86/44/78/803864478.db2.gz NDJAHBSMQSRWCB-VIFPVBQESA-N -1 0 321.399 -0.085 20 0 DBADRM Cn1nc(NC(=O)c2cnc([O-])n(C)c2=O)cc1OC(F)F ZINC000428124708 803868899 /nfs/dbraw/zinc/86/88/99/803868899.db2.gz KWNZBJHYZAENMR-UHFFFAOYSA-N -1 0 315.236 0.073 20 0 DBADRM O=C(NC[C@@H]1CN2CCN1CC2)c1cc2c(cc1O)OCO2 ZINC000436601467 803870004 /nfs/dbraw/zinc/87/00/04/803870004.db2.gz HZEWALIKAITRHJ-SNVBAGLBSA-N -1 0 305.334 -0.150 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000558467399 803873425 /nfs/dbraw/zinc/87/34/25/803873425.db2.gz URWURINHAOKHTH-SECBINFHSA-N -1 0 313.397 -0.406 20 0 DBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)c1=O ZINC000588470053 803878293 /nfs/dbraw/zinc/87/82/93/803878293.db2.gz ITIWTVQCNISGKO-FPLPWBNLSA-N -1 0 322.346 -0.301 20 0 DBADRM COc1ncc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc1Cl ZINC000650390347 803898277 /nfs/dbraw/zinc/89/82/77/803898277.db2.gz XVDSEDFNRUQPEB-QMMMGPOBSA-N -1 0 324.742 -0.143 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)C1 ZINC000650423821 803898321 /nfs/dbraw/zinc/89/83/21/803898321.db2.gz GTWPFTKXSFSWSN-SKDRFNHKSA-N -1 0 322.383 -0.784 20 0 DBADRM COc1ccc(F)cc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC000650392365 803898366 /nfs/dbraw/zinc/89/83/66/803898366.db2.gz BGSOJPCJGWAOKR-QMMMGPOBSA-N -1 0 307.299 -0.052 20 0 DBADRM COC[C@H](C)S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650428817 803898689 /nfs/dbraw/zinc/89/86/89/803898689.db2.gz UKVICMVLNZASDD-IUCAKERBSA-N -1 0 303.340 -0.573 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CCc2onc(C(=O)[O-])c2C1 ZINC000650420044 803898935 /nfs/dbraw/zinc/89/89/35/803898935.db2.gz BWGOTKCJYQXQTP-UHFFFAOYSA-N -1 0 313.295 -0.752 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)C1 ZINC000650423818 803898958 /nfs/dbraw/zinc/89/89/58/803898958.db2.gz GTWPFTKXSFSWSN-BXKDBHETSA-N -1 0 322.383 -0.784 20 0 DBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000650442886 803899218 /nfs/dbraw/zinc/89/92/18/803899218.db2.gz YVEYCUHACJCLRI-ZDCRXTMVSA-N -1 0 304.368 -0.063 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)NC2CC(C(=O)[O-])C2)CC1 ZINC000693441236 803908972 /nfs/dbraw/zinc/90/89/72/803908972.db2.gz IBFYDRGMKDVLHS-UHFFFAOYSA-N -1 0 304.368 -0.363 20 0 DBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000693037725 803909375 /nfs/dbraw/zinc/90/93/75/803909375.db2.gz JZMRFFVADLTASN-IWSPIJDZSA-N -1 0 307.393 -0.114 20 0 DBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCc2ncccn2)C1 ZINC000702369390 803914692 /nfs/dbraw/zinc/91/46/92/803914692.db2.gz ZDOCCOXPGUQUSG-VIFPVBQESA-N -1 0 300.340 -0.392 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N[C@H]2COCC[C@@H]2O)c1 ZINC000710865390 803919219 /nfs/dbraw/zinc/91/92/19/803919219.db2.gz ITFLZJTYBLMVHO-QWRGUYRKSA-N -1 0 301.320 -0.187 20 0 DBADRM Cc1ccn2ncc(C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)c2n1 ZINC000737436105 803934650 /nfs/dbraw/zinc/93/46/50/803934650.db2.gz LAMLUZXLIKNCTE-SNVBAGLBSA-N -1 0 314.309 -0.235 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)C(=O)[O-])CC1)c1ccccc1 ZINC000737976330 803935628 /nfs/dbraw/zinc/93/56/28/803935628.db2.gz XYUVMKBPXUEFQE-UHFFFAOYSA-N -1 0 305.334 -0.122 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ccc3nccn3c2)CC1 ZINC000738516803 803938349 /nfs/dbraw/zinc/93/83/49/803938349.db2.gz IQUZLNNOYRDUCY-UHFFFAOYSA-N -1 0 302.290 -0.297 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)CCn2cc(Cl)cn2)CC1 ZINC000738517037 803938937 /nfs/dbraw/zinc/93/89/37/803938937.db2.gz NIWAJDHLWOEAOU-UHFFFAOYSA-N -1 0 314.729 -0.318 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)CN1C(=O)NC(CC)(CC)C1=O ZINC000739204405 803939678 /nfs/dbraw/zinc/93/96/78/803939678.db2.gz USEVWDWNEGSHPR-UHFFFAOYSA-N -1 0 319.383 -0.047 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000739192974 803939971 /nfs/dbraw/zinc/93/99/71/803939971.db2.gz SFXODCWMOHDFJK-UHFFFAOYSA-N -1 0 317.367 -0.293 20 0 DBADRM COCCN1C[C@@H](C(=O)N(C)[C@H](C)CNC(=O)[O-])CC1=O ZINC000739829935 803942445 /nfs/dbraw/zinc/94/24/45/803942445.db2.gz SMTKYKOAAREGBY-ZJUUUORDSA-N -1 0 301.343 -0.404 20 0 DBADRM O=C([O-])CSCCC(=O)NCCN1CCCS1(=O)=O ZINC000739846219 803942449 /nfs/dbraw/zinc/94/24/49/803942449.db2.gz LEYFAQHTOGYIKD-UHFFFAOYSA-N -1 0 310.397 -0.654 20 0 DBADRM Cc1c(C(=O)N(C)CC(N)=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740030654 803943455 /nfs/dbraw/zinc/94/34/55/803943455.db2.gz DXKMSDGYLFRQRC-UHFFFAOYSA-N -1 0 324.341 -0.541 20 0 DBADRM O=C([O-])NCCCNC(=O)NCCNC(=O)c1cccnc1 ZINC000740651299 803947545 /nfs/dbraw/zinc/94/75/45/803947545.db2.gz HNRUBYOXZFSASK-UHFFFAOYSA-N -1 0 309.326 -0.232 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)[C@@H]2CCNC2=O)c1[O-] ZINC001280456591 803960918 /nfs/dbraw/zinc/96/09/18/803960918.db2.gz CGHDCFWNYIUXDT-VXNVDRBHSA-N -1 0 323.353 -0.863 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000743501786 803981626 /nfs/dbraw/zinc/98/16/26/803981626.db2.gz GYEZYQCPKGKTHX-UHFFFAOYSA-N -1 0 324.380 -0.002 20 0 DBADRM CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000744136627 803987220 /nfs/dbraw/zinc/98/72/20/803987220.db2.gz IBMLVXUQZSTWJS-JTQLQIEISA-N -1 0 306.384 -0.084 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000744242273 803988212 /nfs/dbraw/zinc/98/82/12/803988212.db2.gz ARGAZJAHEDELGE-SECBINFHSA-N -1 0 305.400 -0.054 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC000744242171 803988295 /nfs/dbraw/zinc/98/82/95/803988295.db2.gz VPICVOIMABXUOA-JTQLQIEISA-N -1 0 305.400 -0.196 20 0 DBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000744301179 803988411 /nfs/dbraw/zinc/98/84/11/803988411.db2.gz VZCAIADMVOWDRQ-UHFFFAOYSA-N -1 0 321.376 -0.444 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)CCn1c(C)csc1=O ZINC000744242809 803988470 /nfs/dbraw/zinc/98/84/70/803988470.db2.gz IVAMPYYXNZLGEO-UHFFFAOYSA-N -1 0 307.397 -0.079 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000744240466 803988766 /nfs/dbraw/zinc/98/87/66/803988766.db2.gz ICOHDRXXMVQIHD-UHFFFAOYSA-N -1 0 324.362 -0.140 20 0 DBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)CCCF)CC1=O ZINC000747133819 804024290 /nfs/dbraw/zinc/02/42/90/804024290.db2.gz IRMQJDDZBUNIKJ-VIFPVBQESA-N -1 0 310.347 -0.713 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000747118714 804024554 /nfs/dbraw/zinc/02/45/54/804024554.db2.gz PDKUROPOBMQYJW-ZYHUDNBSSA-N -1 0 304.368 -0.520 20 0 DBADRM O=C([N-]S(=O)(=O)Cc1ccon1)c1ccc2nncn2c1 ZINC000747183121 804025897 /nfs/dbraw/zinc/02/58/97/804025897.db2.gz PJWATJDXVLLVJD-UHFFFAOYSA-N -1 0 307.291 -0.023 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cnc3c(cnn3C)c2)cn1 ZINC000747479769 804028732 /nfs/dbraw/zinc/02/87/32/804028732.db2.gz NEVRYFRTVFCUDX-UHFFFAOYSA-N -1 0 320.334 -0.180 20 0 DBADRM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)[C@@H]1CCC(=O)NC1 ZINC000747473251 804028897 /nfs/dbraw/zinc/02/88/97/804028897.db2.gz BKJJTOPJGLNKEC-ZYHUDNBSSA-N -1 0 300.322 -0.069 20 0 DBADRM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)[C@H]1CCC(=O)NC1 ZINC000747473249 804029105 /nfs/dbraw/zinc/02/91/05/804029105.db2.gz BKJJTOPJGLNKEC-JQWIXIFHSA-N -1 0 300.322 -0.069 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000747469871 804029354 /nfs/dbraw/zinc/02/93/54/804029354.db2.gz IZQJFFASGZRDOH-LLVKDONJSA-N -1 0 324.366 -0.655 20 0 DBADRM CCC[C@H](CCO)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000748376825 804037705 /nfs/dbraw/zinc/03/77/05/804037705.db2.gz OXKHRVHUYKETAI-SNVBAGLBSA-N -1 0 307.354 -0.014 20 0 DBADRM NS(=O)(=O)c1cnn(CC(=O)[N-]OCc2ccccc2)c1 ZINC000748555939 804040974 /nfs/dbraw/zinc/04/09/74/804040974.db2.gz YSRFKZZYIMLGQE-UHFFFAOYSA-N -1 0 310.335 -0.222 20 0 DBADRM CC(C)CS(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O ZINC000749077740 804046397 /nfs/dbraw/zinc/04/63/97/804046397.db2.gz LSEUJNIUVVAXOY-UHFFFAOYSA-N -1 0 305.356 -0.580 20 0 DBADRM CC(C)c1ncncc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750729569 804064357 /nfs/dbraw/zinc/06/43/57/804064357.db2.gz LLEJZHWNINGIQO-UHFFFAOYSA-N -1 0 314.367 -0.093 20 0 DBADRM O=C(COCc1ccccc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750728550 804064376 /nfs/dbraw/zinc/06/43/76/804064376.db2.gz IWIKRQRDHUACSB-UHFFFAOYSA-N -1 0 314.363 -0.104 20 0 DBADRM CC(C)c1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)[nH]n1 ZINC000750727188 804064887 /nfs/dbraw/zinc/06/48/87/804064887.db2.gz WBNYWLYCIHBAIY-UHFFFAOYSA-N -1 0 302.356 -0.160 20 0 DBADRM C[C@H](O)C[C@@H]1CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000752519815 804090406 /nfs/dbraw/zinc/09/04/06/804090406.db2.gz UPJCGDIZQDVGBZ-UWVGGRQHSA-N -1 0 305.338 -0.167 20 0 DBADRM COC(=O)[C@@]1(F)CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000752675839 804092383 /nfs/dbraw/zinc/09/23/83/804092383.db2.gz LWGPZKSPMMGAQO-CYBMUJFWSA-N -1 0 323.284 -0.815 20 0 DBADRM COC(=O)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000753062067 804096144 /nfs/dbraw/zinc/09/61/44/804096144.db2.gz ODHAGAYPMISMGX-UHFFFAOYSA-N -1 0 307.331 -0.026 20 0 DBADRM CC(=O)[N-]S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000753870270 804112590 /nfs/dbraw/zinc/11/25/90/804112590.db2.gz CEMJXRJYKZIPIK-UHFFFAOYSA-N -1 0 307.372 -0.080 20 0 DBADRM CN(C)c1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c(F)c1 ZINC000753951652 804113563 /nfs/dbraw/zinc/11/35/63/804113563.db2.gz WRMBFBWQMLSPMZ-UHFFFAOYSA-N -1 0 303.315 -0.563 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000753949824 804113643 /nfs/dbraw/zinc/11/36/43/804113643.db2.gz HUUGCICBJFZEPN-ZJUUUORDSA-N -1 0 300.311 -0.140 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1csc(-c2ccoc2)n1 ZINC000753949741 804113948 /nfs/dbraw/zinc/11/39/48/804113948.db2.gz FGCMKZXSFMDGJV-UHFFFAOYSA-N -1 0 315.332 -0.052 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCc1ccncn1 ZINC000755811430 804141725 /nfs/dbraw/zinc/14/17/25/804141725.db2.gz VHTBOPXTYYJDBA-UHFFFAOYSA-N -1 0 302.356 -0.652 20 0 DBADRM C[C@@H]1CN(C)C[C@@H](C)N1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000756148177 804145953 /nfs/dbraw/zinc/14/59/53/804145953.db2.gz YWNYPWVNMBVZIR-NXEZZACHSA-N -1 0 304.354 -0.378 20 0 DBADRM CCOC[C@@H]1CN(S(=O)(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CCO1 ZINC001465115168 804150067 /nfs/dbraw/zinc/15/00/67/804150067.db2.gz KTFQIMZUEBDRGN-GARJFASQSA-N -1 0 307.368 -0.083 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CC[C@@H]2OCCO[C@H]2C1 ZINC001465115274 804151655 /nfs/dbraw/zinc/15/16/55/804151655.db2.gz LOWAVPJPBXJJFM-RCWTZXSCSA-N -1 0 305.352 -0.331 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]1CCCO1 ZINC000757332767 804161976 /nfs/dbraw/zinc/16/19/76/804161976.db2.gz CMLMINANYQZOJI-QWRGUYRKSA-N -1 0 324.399 -0.490 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnc(OC)nc1 ZINC000757330726 804161985 /nfs/dbraw/zinc/16/19/85/804161985.db2.gz MHTXYMASLVSWRR-UHFFFAOYSA-N -1 0 304.328 -0.962 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)c1cnn(C)c1 ZINC000757320143 804162218 /nfs/dbraw/zinc/16/22/18/804162218.db2.gz QTFDCKDGKKYWQF-VIFPVBQESA-N -1 0 304.372 -0.537 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC000757338618 804163239 /nfs/dbraw/zinc/16/32/39/804163239.db2.gz FBCUDUAJBXZULG-UHFFFAOYSA-N -1 0 321.399 -0.768 20 0 DBADRM O=C([C@@H]1CCCc2n[nH]cc21)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000758220613 804175987 /nfs/dbraw/zinc/17/59/87/804175987.db2.gz JIGCUIOSCJHCSJ-KCJUWKMLSA-N -1 0 303.326 -0.057 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCO[C@@H]2COC[C@@H]2C1 ZINC001465118427 804181390 /nfs/dbraw/zinc/18/13/90/804181390.db2.gz ZJXRGFSGOFXQNW-ZDCRXTMVSA-N -1 0 305.352 -0.473 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)OC)cn1 ZINC000758537820 804189283 /nfs/dbraw/zinc/18/92/83/804189283.db2.gz XQNFNKXYJBJZTD-QMMMGPOBSA-N -1 0 303.340 -0.093 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000758520099 804189700 /nfs/dbraw/zinc/18/97/00/804189700.db2.gz WMUOHVUIBDSSJA-UHFFFAOYSA-N -1 0 316.383 -0.127 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnccn1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000758558133 804190305 /nfs/dbraw/zinc/19/03/05/804190305.db2.gz MLVLKHSWWRVVEV-MRVPVSSYSA-N -1 0 310.335 -0.708 20 0 DBADRM NC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cnccn2)c1 ZINC000758562169 804190668 /nfs/dbraw/zinc/19/06/68/804190668.db2.gz OUTRXQBYAFVUKH-UHFFFAOYSA-N -1 0 306.303 -0.306 20 0 DBADRM O=C(CCCNC(=O)C1CC1)[N-]S(=O)(=O)c1cnccn1 ZINC000758563532 804190825 /nfs/dbraw/zinc/19/08/25/804190825.db2.gz RSGALMOHFDMKLM-UHFFFAOYSA-N -1 0 312.351 -0.412 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758569431 804190858 /nfs/dbraw/zinc/19/08/58/804190858.db2.gz ROCGARBUAOWBHX-UHFFFAOYSA-N -1 0 314.367 -0.166 20 0 DBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnccn2)cn1 ZINC000758569395 804191052 /nfs/dbraw/zinc/19/10/52/804191052.db2.gz QJHPLAKALUMMQL-UHFFFAOYSA-N -1 0 321.318 -0.650 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758577544 804191072 /nfs/dbraw/zinc/19/10/72/804191072.db2.gz LBVSUBMPNMGSKF-UWVGGRQHSA-N -1 0 315.351 -0.134 20 0 DBADRM C[C@@H](CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)S(C)(=O)=O ZINC000758864547 804196396 /nfs/dbraw/zinc/19/63/96/804196396.db2.gz UBRWXBYNLRCFIS-LURJTMIESA-N -1 0 318.317 -0.007 20 0 DBADRM CC1(C)CN=C(N2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)S1 ZINC000759089330 804199267 /nfs/dbraw/zinc/19/92/67/804199267.db2.gz FSYULRKIXUZTFD-UHFFFAOYSA-N -1 0 309.395 -0.112 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000759302974 804201299 /nfs/dbraw/zinc/20/12/99/804201299.db2.gz GXKXYVBPRQONGV-SNVBAGLBSA-N -1 0 322.383 -0.894 20 0 DBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cocn2)s1 ZINC000759508781 804204125 /nfs/dbraw/zinc/20/41/25/804204125.db2.gz CPLPHMBHAQCHGH-UHFFFAOYSA-N -1 0 317.308 -0.397 20 0 DBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)COC(C)C)s1 ZINC000759505197 804204415 /nfs/dbraw/zinc/20/44/15/804204415.db2.gz LKGLVCYSUXYTQZ-UHFFFAOYSA-N -1 0 322.368 -0.274 20 0 DBADRM CC[C@@H](C[C@H](C)CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000759572430 804205277 /nfs/dbraw/zinc/20/52/77/804205277.db2.gz ZVKWRLHSHGBCMC-UWVGGRQHSA-N -1 0 307.354 -0.016 20 0 DBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000759801242 804209876 /nfs/dbraw/zinc/20/98/76/804209876.db2.gz BSOSDGJBIJDADJ-UHFFFAOYSA-N -1 0 318.351 -0.052 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN(CCO)CC1 ZINC000760113735 804220332 /nfs/dbraw/zinc/22/03/32/804220332.db2.gz NYNRMHZPMRRCBZ-UHFFFAOYSA-N -1 0 311.304 -0.420 20 0 DBADRM O=C([N-]N1CC(=O)NC1=O)c1cccnc1OCC(F)F ZINC000760250012 804223054 /nfs/dbraw/zinc/22/30/54/804223054.db2.gz XASJTUCJUGMBQX-UHFFFAOYSA-N -1 0 300.221 -0.078 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C(=O)OC)co1 ZINC000760245169 804223429 /nfs/dbraw/zinc/22/34/29/804223429.db2.gz ZBRSGXVHJARXNA-UHFFFAOYSA-N -1 0 320.323 -0.381 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc2n[nH]nc2c1 ZINC000760714738 804228390 /nfs/dbraw/zinc/22/83/90/804228390.db2.gz UGHZSCQLGUVDAK-UHFFFAOYSA-N -1 0 310.277 -0.019 20 0 DBADRM CCOC(=O)[C@H](Cc1ccccn1)NC(=O)c1cc(=O)[nH][n-]1 ZINC000760921014 804230771 /nfs/dbraw/zinc/23/07/71/804230771.db2.gz LEKDHGOAUIUVCB-NSHDSACASA-N -1 0 304.306 -0.452 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)[C@H]1CCNC(=O)C1 ZINC000761134766 804234395 /nfs/dbraw/zinc/23/43/95/804234395.db2.gz DTWUJQBSGWRMGC-VHSXEESVSA-N -1 0 304.368 -0.472 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)[C@H]1CCNC(=O)C1 ZINC000761134765 804234854 /nfs/dbraw/zinc/23/48/54/804234854.db2.gz DTWUJQBSGWRMGC-UWVGGRQHSA-N -1 0 304.368 -0.472 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCCC[C@@H]1CCO ZINC000761269567 804237506 /nfs/dbraw/zinc/23/75/06/804237506.db2.gz CFMAUMCEEVIDIO-SNVBAGLBSA-N -1 0 305.338 -0.165 20 0 DBADRM CC(C)(C)[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(N)=O ZINC000761305356 804237663 /nfs/dbraw/zinc/23/76/63/804237663.db2.gz ALOSVEREFAGFTJ-MRVPVSSYSA-N -1 0 303.340 -0.109 20 0 DBADRM CCOC(=O)c1c(C)n[n-]c1S(=O)(=O)N=c1nc[nH]n1C ZINC000761840590 804242567 /nfs/dbraw/zinc/24/25/67/804242567.db2.gz JLYFPHUEACLJFU-UHFFFAOYSA-N -1 0 314.327 -0.754 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)s1 ZINC000762132356 804244644 /nfs/dbraw/zinc/24/46/44/804244644.db2.gz MAIIKKTWEKFOMN-SSDOTTSWSA-N -1 0 318.376 -0.057 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762136275 804244883 /nfs/dbraw/zinc/24/48/83/804244883.db2.gz DTXIMEHPCYUKEC-VIFPVBQESA-N -1 0 308.356 -0.395 20 0 DBADRM CCc1ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)s1 ZINC000763451920 804267198 /nfs/dbraw/zinc/26/71/98/804267198.db2.gz NVFWADCIRJVMFN-UHFFFAOYSA-N -1 0 305.381 -0.099 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763448102 804267459 /nfs/dbraw/zinc/26/74/59/804267459.db2.gz APPWKWQWKRDHAO-VHSXEESVSA-N -1 0 322.383 -0.847 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CSC(F)(F)F ZINC000763448058 804267813 /nfs/dbraw/zinc/26/78/13/804267813.db2.gz AAVWAKMPTBMMFC-UHFFFAOYSA-N -1 0 308.303 -0.179 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C(=O)Nc1ccccc1 ZINC000763451491 804267936 /nfs/dbraw/zinc/26/79/36/804267936.db2.gz NBSPXUVRKVHQAX-UHFFFAOYSA-N -1 0 313.335 -0.793 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccnc1Cl ZINC000763457726 804268571 /nfs/dbraw/zinc/26/85/71/804268571.db2.gz MLTJBGDXTYYFLJ-UHFFFAOYSA-N -1 0 305.743 -0.069 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1c[nH]c2ncccc12 ZINC000763458511 804268928 /nfs/dbraw/zinc/26/89/28/804268928.db2.gz RDFKSWCDCSWITO-UHFFFAOYSA-N -1 0 324.362 -0.313 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2 ZINC000763981886 804278147 /nfs/dbraw/zinc/27/81/47/804278147.db2.gz ZKVQBYYXUZARKH-QMMMGPOBSA-N -1 0 303.340 -0.240 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000764174399 804278926 /nfs/dbraw/zinc/27/89/26/804278926.db2.gz URONZYZDXQGFGG-DTWKUNHWSA-N -1 0 318.351 -0.121 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)n1 ZINC000764149118 804279547 /nfs/dbraw/zinc/27/95/47/804279547.db2.gz HQRUTQWIFVABRD-SECBINFHSA-N -1 0 305.356 -0.376 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)n1 ZINC000764149121 804279616 /nfs/dbraw/zinc/27/96/16/804279616.db2.gz HQRUTQWIFVABRD-VIFPVBQESA-N -1 0 305.356 -0.376 20 0 DBADRM Cc1cn2ccnc(C(=O)[N-]S(=O)(=O)c3ccnn3C)c2n1 ZINC000764071482 804279682 /nfs/dbraw/zinc/27/96/82/804279682.db2.gz JOVCMNQBBWSWJO-UHFFFAOYSA-N -1 0 320.334 -0.110 20 0 DBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)cn1 ZINC000764209904 804280442 /nfs/dbraw/zinc/28/04/42/804280442.db2.gz PIQIZOORVKDTLW-SSDOTTSWSA-N -1 0 317.323 -0.642 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000764186754 804280675 /nfs/dbraw/zinc/28/06/75/804280675.db2.gz OYIYKBDNUYZUPK-IUCAKERBSA-N -1 0 318.351 -0.121 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)CCC(C)(C)OC ZINC000764320727 804281609 /nfs/dbraw/zinc/28/16/09/804281609.db2.gz DYCLCMKSITVCKH-UHFFFAOYSA-N -1 0 324.399 -0.648 20 0 DBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1CCNC(=O)C1 ZINC000764315762 804282020 /nfs/dbraw/zinc/28/20/20/804282020.db2.gz KUAOWRDAYYMIIU-SECBINFHSA-N -1 0 306.384 -0.226 20 0 DBADRM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)CNC(C)=O)c1 ZINC000764754062 804288490 /nfs/dbraw/zinc/28/84/90/804288490.db2.gz NQQLEMLKNFCGJQ-UHFFFAOYSA-N -1 0 316.335 -0.355 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000764777425 804289516 /nfs/dbraw/zinc/28/95/16/804289516.db2.gz IUXCTKPNIKIFIX-UHFFFAOYSA-N -1 0 300.336 -0.353 20 0 DBADRM CC(=O)O[C@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000765067100 804292882 /nfs/dbraw/zinc/29/28/82/804292882.db2.gz UCPVJGWRUFARHE-JTQLQIEISA-N -1 0 319.321 -0.375 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cs1 ZINC000765658380 804305398 /nfs/dbraw/zinc/30/53/98/804305398.db2.gz QJWSXCUBKVTEKI-UHFFFAOYSA-N -1 0 314.348 -0.301 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCOC2(CCC2)C1 ZINC000766036397 804309537 /nfs/dbraw/zinc/30/95/37/804309537.db2.gz MICRDNFBJPKZJO-UHFFFAOYSA-N -1 0 303.322 -0.147 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]c2nccc(=O)n2C)c1Cl ZINC000765987695 804309702 /nfs/dbraw/zinc/30/97/02/804309702.db2.gz YYXFXIGQILTLJT-UHFFFAOYSA-N -1 0 303.731 -0.032 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000766013530 804310390 /nfs/dbraw/zinc/31/03/90/804310390.db2.gz PODGLSIQWZXTMV-CMPLNLGQSA-N -1 0 306.384 -0.006 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)[N-]S(C)(=O)=O)C1 ZINC000766232790 804314433 /nfs/dbraw/zinc/31/44/33/804314433.db2.gz GVWDKNDREOSHLK-MRVPVSSYSA-N -1 0 308.356 -0.302 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]OCC(F)(F)F ZINC000766765510 804319035 /nfs/dbraw/zinc/31/90/35/804319035.db2.gz QWZYXBFIECMSGB-MRVPVSSYSA-N -1 0 311.260 -0.276 20 0 DBADRM CCOc1ccccc1OCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766921268 804321558 /nfs/dbraw/zinc/32/15/58/804321558.db2.gz FQNHVLJCYDWGQK-UHFFFAOYSA-N -1 0 316.335 -0.605 20 0 DBADRM C[C@@H](Cc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766920589 804321818 /nfs/dbraw/zinc/32/18/18/804321818.db2.gz IHRBHYSUZLFWTI-QMMMGPOBSA-N -1 0 302.327 -0.064 20 0 DBADRM CN(C)c1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc(Cl)n1 ZINC000766918775 804321857 /nfs/dbraw/zinc/32/18/57/804321857.db2.gz YLJJFFVTODOQAH-UHFFFAOYSA-N -1 0 320.758 -0.654 20 0 DBADRM CCOc1ccccc1CCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766923988 804322351 /nfs/dbraw/zinc/32/23/51/804322351.db2.gz LYHWBGNMOMJCGT-UHFFFAOYSA-N -1 0 314.363 -0.051 20 0 DBADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)CC(N)=O)ccc1Cl ZINC000766922520 804322739 /nfs/dbraw/zinc/32/27/39/804322739.db2.gz FCHQTLZCBKPYDQ-UHFFFAOYSA-N -1 0 320.754 -0.041 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccnc1OCC(F)F ZINC000766927941 804323032 /nfs/dbraw/zinc/32/30/32/804323032.db2.gz DLRLPTWHMFJIFN-UHFFFAOYSA-N -1 0 323.277 -0.730 20 0 DBADRM C[C@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766926231 804323044 /nfs/dbraw/zinc/32/30/44/804323044.db2.gz LBFLLAIXENXGAC-VIFPVBQESA-N -1 0 300.336 -0.477 20 0 DBADRM Cc1nc(-c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2)n[nH]1 ZINC000766926232 804323151 /nfs/dbraw/zinc/32/31/51/804323151.db2.gz LCXHSFVDVBZDJG-UHFFFAOYSA-N -1 0 323.334 -0.675 20 0 DBADRM COc1cc(CC(=O)[N-]S(=O)(=O)CC(N)=O)ccc1C ZINC000766926610 804323796 /nfs/dbraw/zinc/32/37/96/804323796.db2.gz YORRPAGQHPHMTB-UHFFFAOYSA-N -1 0 300.336 -0.523 20 0 DBADRM Cc1cccc(O[C@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766929640 804324011 /nfs/dbraw/zinc/32/40/11/804324011.db2.gz PHBSSYDYOWEINQ-SECBINFHSA-N -1 0 300.336 -0.306 20 0 DBADRM C[C@H](Cc1ccccc1F)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766929038 804324223 /nfs/dbraw/zinc/32/42/23/804324223.db2.gz JYEHMIDSKJPUSJ-MRVPVSSYSA-N -1 0 302.327 -0.064 20 0 DBADRM Cc1ccc(O[C@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766929028 804324286 /nfs/dbraw/zinc/32/42/86/804324286.db2.gz JTMUCYQDUSMSSJ-SECBINFHSA-N -1 0 300.336 -0.306 20 0 DBADRM C[C@@H](Cc1ccccc1F)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766929043 804324355 /nfs/dbraw/zinc/32/43/55/804324355.db2.gz JYEHMIDSKJPUSJ-QMMMGPOBSA-N -1 0 302.327 -0.064 20 0 DBADRM CCOc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)ccc1C ZINC000766929675 804324507 /nfs/dbraw/zinc/32/45/07/804324507.db2.gz QQPDVCUAXXBHLS-UHFFFAOYSA-N -1 0 300.336 -0.061 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1cnc(OC)nc1 ZINC000766966094 804325527 /nfs/dbraw/zinc/32/55/27/804325527.db2.gz AKWAZISPDXOSIE-UHFFFAOYSA-N -1 0 303.340 -0.029 20 0 DBADRM O=C(NCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccccc1 ZINC001282891739 804329049 /nfs/dbraw/zinc/32/90/49/804329049.db2.gz QXBGNVIUBCFRQF-UHFFFAOYSA-N -1 0 303.278 -0.557 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)Cc1cccnc1 ZINC000768218181 804337550 /nfs/dbraw/zinc/33/75/50/804337550.db2.gz ZMQFDSHLGILVAT-UHFFFAOYSA-N -1 0 302.352 -0.267 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(C)[nH]c1=O ZINC000768220287 804337582 /nfs/dbraw/zinc/33/75/82/804337582.db2.gz PYSDIOUEZOZXCJ-UHFFFAOYSA-N -1 0 318.351 -0.182 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)OC ZINC000768218823 804337815 /nfs/dbraw/zinc/33/78/15/804337815.db2.gz JQHXVHAWZMDEOC-SECBINFHSA-N -1 0 311.356 -0.705 20 0 DBADRM O=C(CNC(=O)c1ccccc1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000768781906 804342559 /nfs/dbraw/zinc/34/25/59/804342559.db2.gz IVPLJSBFLPUTIR-LLVKDONJSA-N -1 0 312.347 -0.349 20 0 DBADRM O=C(CNC(=O)c1ccccc1)[N-]S(=O)(=O)N1CCCC1 ZINC000768768455 804342685 /nfs/dbraw/zinc/34/26/85/804342685.db2.gz AASSWFQZOVFLAJ-UHFFFAOYSA-N -1 0 311.363 -0.127 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H](C)CN1C ZINC000768846276 804343528 /nfs/dbraw/zinc/34/35/28/804343528.db2.gz PYALJQSKFPTKPG-NXEZZACHSA-N -1 0 304.354 -0.378 20 0 DBADRM C[C@](O)(CNC(=O)Cn1cccc(C(F)(F)F)c1=O)C(=O)[O-] ZINC000769746372 804352561 /nfs/dbraw/zinc/35/25/61/804352561.db2.gz HCPTULBYDDNESI-NSHDSACASA-N -1 0 322.239 -0.181 20 0 DBADRM C[C@](O)(CNC(=O)c1ccc(N2CCOCC2)nc1)C(=O)[O-] ZINC000769742131 804352746 /nfs/dbraw/zinc/35/27/46/804352746.db2.gz IAXQXTHNYBIZOP-AWEZNQCLSA-N -1 0 309.322 -0.516 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(C)=O)nc1C ZINC000770201861 804359945 /nfs/dbraw/zinc/35/99/45/804359945.db2.gz SOWWVQMDGCPIFH-ZETCQYMHSA-N -1 0 302.356 -0.459 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000770207056 804359993 /nfs/dbraw/zinc/35/99/93/804359993.db2.gz KFOZBNVMELZSOB-QMMMGPOBSA-N -1 0 316.383 -0.069 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cc(C)nn1CC ZINC000770357185 804362237 /nfs/dbraw/zinc/36/22/37/804362237.db2.gz SNDUKJYYGAOFKV-UHFFFAOYSA-N -1 0 303.340 -0.166 20 0 DBADRM CNS(=O)(=O)CCCOC(=O)c1cc(=O)[n-]c(OC)n1 ZINC000770516511 804364938 /nfs/dbraw/zinc/36/49/38/804364938.db2.gz WGANDTZLRJQPKO-UHFFFAOYSA-N -1 0 305.312 -0.713 20 0 DBADRM CCCNC(=O)NC(=O)COC(=O)c1cc(=O)[n-]c(OC)n1 ZINC000770516488 804365536 /nfs/dbraw/zinc/36/55/36/804365536.db2.gz VURCYXBANLGPDC-UHFFFAOYSA-N -1 0 312.282 -0.417 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O ZINC000770619575 804367055 /nfs/dbraw/zinc/36/70/55/804367055.db2.gz GMJLFLCNYFUQCR-UHFFFAOYSA-N -1 0 305.356 -0.772 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000770622177 804367366 /nfs/dbraw/zinc/36/73/66/804367366.db2.gz CMFHKYFYHQIAOB-SECBINFHSA-N -1 0 303.384 -0.300 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H](CO)c1ccsc1 ZINC000771538424 804376984 /nfs/dbraw/zinc/37/69/84/804376984.db2.gz WHSOYMPMHGJLKX-JTQLQIEISA-N -1 0 319.346 -0.018 20 0 DBADRM O=C(CN1CCn2c(CO)nnc2C1)[N-]OCc1ccccc1 ZINC000772207819 804384534 /nfs/dbraw/zinc/38/45/34/804384534.db2.gz BSLQTUAWNACYML-UHFFFAOYSA-N -1 0 317.349 -0.166 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000772291353 804386439 /nfs/dbraw/zinc/38/64/39/804386439.db2.gz PXIFJMWIMIEYGG-VIFPVBQESA-N -1 0 319.321 -0.375 20 0 DBADRM CCOCCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000772689043 804390509 /nfs/dbraw/zinc/39/05/09/804390509.db2.gz BBZTXADOPDHDCQ-VIFPVBQESA-N -1 0 320.371 -0.829 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]OC2CCOCC2)C1=O ZINC000772711466 804390990 /nfs/dbraw/zinc/39/09/90/804390990.db2.gz NTTBXJSBNOXPFH-AWEZNQCLSA-N -1 0 311.338 -0.066 20 0 DBADRM CC1CCC(NS(=O)(=O)CC(=O)[N-]OCC(N)=O)CC1 ZINC000772940156 804394257 /nfs/dbraw/zinc/39/42/57/804394257.db2.gz PIVBPPGZWZSSSY-UHFFFAOYSA-N -1 0 307.372 -0.982 20 0 DBADRM C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)[N-]OCC(N)=O ZINC000772936332 804394427 /nfs/dbraw/zinc/39/44/27/804394427.db2.gz OBXKNIRJPMIFAX-ZETCQYMHSA-N -1 0 305.294 -0.786 20 0 DBADRM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)[N-]OCC(N)=O ZINC000772936331 804394686 /nfs/dbraw/zinc/39/46/86/804394686.db2.gz OBXKNIRJPMIFAX-SSDOTTSWSA-N -1 0 305.294 -0.786 20 0 DBADRM O=C(Cn1ccccc1=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000773151725 804396718 /nfs/dbraw/zinc/39/67/18/804396718.db2.gz KNFAUQVJPOULNA-VIFPVBQESA-N -1 0 306.351 -0.322 20 0 DBADRM CCn1cc(C(=O)C(=O)N2CCSC[C@@H]2c2nnn[n-]2)cn1 ZINC000773160751 804397704 /nfs/dbraw/zinc/39/77/04/804397704.db2.gz OHFTWJKFRQPBQS-SECBINFHSA-N -1 0 321.366 -0.085 20 0 DBADRM COCC[C@@]1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCOC1 ZINC000773330115 804400579 /nfs/dbraw/zinc/40/05/79/804400579.db2.gz BIZUYUWCMFYNHG-CQSZACIVSA-N -1 0 321.337 -0.617 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)CN(C)[C@@H]1CCSC1 ZINC000774086794 804413730 /nfs/dbraw/zinc/41/37/30/804413730.db2.gz YUPXLMHKYUONQV-SNVBAGLBSA-N -1 0 310.441 -0.094 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CCc1ccnn1C ZINC000774093418 804413868 /nfs/dbraw/zinc/41/38/68/804413868.db2.gz AZCQBDNNFAHUDB-UHFFFAOYSA-N -1 0 317.367 -0.248 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCOC[C@@H]1C ZINC000774142548 804415228 /nfs/dbraw/zinc/41/52/28/804415228.db2.gz MDQYENKWZUHLSK-QWRGUYRKSA-N -1 0 309.384 -0.232 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)N1CCOCC1)[C@@H]1CCSC1 ZINC000774105180 804415281 /nfs/dbraw/zinc/41/52/81/804415281.db2.gz LFYSXMVPIYQKEZ-SNVBAGLBSA-N -1 0 323.440 -0.883 20 0 DBADRM CCOc1nc(C(=O)[N-]S(=O)(=O)CCOCCOC)co1 ZINC000774204739 804417866 /nfs/dbraw/zinc/41/78/66/804417866.db2.gz IKPHKKGYJSANPU-UHFFFAOYSA-N -1 0 322.339 -0.204 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CCC(=O)OC(C)(C)C ZINC000774237751 804419099 /nfs/dbraw/zinc/41/90/99/804419099.db2.gz RLMXQCMVSXZDJX-UHFFFAOYSA-N -1 0 318.355 -0.258 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCCOCC(F)F ZINC000774791171 804432173 /nfs/dbraw/zinc/43/21/73/804432173.db2.gz GKDTVFWWIDWKNB-UHFFFAOYSA-N -1 0 302.237 -0.104 20 0 DBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)OCc1n[nH]c(=O)[n-]1 ZINC000774906959 804432582 /nfs/dbraw/zinc/43/25/82/804432582.db2.gz GWQNQGULODLICE-UHFFFAOYSA-N -1 0 323.309 -0.192 20 0 DBADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774880344 804432921 /nfs/dbraw/zinc/43/29/21/804432921.db2.gz XOCVRQFYNLHJPQ-UHFFFAOYSA-N -1 0 312.307 -0.177 20 0 DBADRM Cc1nn(CCO)c2ncc(C(=O)OCc3n[nH]c(=O)[n-]3)cc12 ZINC000774940247 804434615 /nfs/dbraw/zinc/43/46/15/804434615.db2.gz WLERBLHXWVCRPV-UHFFFAOYSA-N -1 0 318.293 -0.087 20 0 DBADRM Cc1c(C(=O)OCc2n[nH]c(=O)[n-]2)cccc1S(N)(=O)=O ZINC000774986513 804436018 /nfs/dbraw/zinc/43/60/18/804436018.db2.gz VEIZJFNRPPZQNM-UHFFFAOYSA-N -1 0 312.307 -0.177 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCCNC(=O)C(F)F ZINC001283163146 804436006 /nfs/dbraw/zinc/43/60/06/804436006.db2.gz OCQHXNJDHKZMSO-UHFFFAOYSA-N -1 0 319.268 -0.897 20 0 DBADRM CCOCCO[N-]C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000775242645 804439251 /nfs/dbraw/zinc/43/92/51/804439251.db2.gz BMEYDBSROBSXBC-LLVKDONJSA-N -1 0 315.351 -0.199 20 0 DBADRM CC(C)C[C@H](CO)N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000775211075 804439860 /nfs/dbraw/zinc/43/98/60/804439860.db2.gz WKVWQUQUKRAENT-SNVBAGLBSA-N -1 0 307.354 -0.063 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)CCC1=O ZINC000775536978 804442901 /nfs/dbraw/zinc/44/29/01/804442901.db2.gz WJIZJPKHRCSFTQ-NXEZZACHSA-N -1 0 304.368 -0.315 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)C1=O ZINC000776123615 804449786 /nfs/dbraw/zinc/44/97/86/804449786.db2.gz VUVMPFHJMUPRFN-WDEREUQCSA-N -1 0 300.322 -0.116 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H]1OC ZINC000776228903 804451436 /nfs/dbraw/zinc/45/14/36/804451436.db2.gz SXDJVEAHYGLRTA-HOSYDEDBSA-N -1 0 321.337 -0.620 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cn(Cc3ccccc3)nn2)C1=O ZINC000776241841 804451884 /nfs/dbraw/zinc/45/18/84/804451884.db2.gz FPGVPLRRJJYOJO-UHFFFAOYSA-N -1 0 314.305 -0.135 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1C ZINC000776307902 804454459 /nfs/dbraw/zinc/45/44/59/804454459.db2.gz YCQJMJFUOYKNII-IONNQARKSA-N -1 0 317.367 -0.014 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])ccc1F ZINC000776443692 804455596 /nfs/dbraw/zinc/45/55/96/804455596.db2.gz IPEPBXSUNGXRSR-SECBINFHSA-N -1 0 321.282 -0.664 20 0 DBADRM CC[C@H](CNS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776536416 804456805 /nfs/dbraw/zinc/45/68/05/804456805.db2.gz JDSXDSPPJSLGQG-SNVBAGLBSA-N -1 0 322.383 -0.230 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1cccc2c1COC2=O ZINC000776496860 804456848 /nfs/dbraw/zinc/45/68/48/804456848.db2.gz FGCPJPQYVRDMBO-QMMMGPOBSA-N -1 0 301.276 -0.919 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC000776504332 804456873 /nfs/dbraw/zinc/45/68/73/804456873.db2.gz SLPZWZFZXUMBCS-SECBINFHSA-N -1 0 317.367 -0.013 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@H](C(=O)[O-])C2CCOCC2)cn1C ZINC000776526539 804457238 /nfs/dbraw/zinc/45/72/38/804457238.db2.gz PAOAYSLHSBBNOX-NSHDSACASA-N -1 0 317.367 -0.113 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000776522816 804457282 /nfs/dbraw/zinc/45/72/82/804457282.db2.gz GVMNPGOIJJIUOD-SNVBAGLBSA-N -1 0 303.340 -0.124 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)nc1Cl ZINC000776504801 804457379 /nfs/dbraw/zinc/45/73/79/804457379.db2.gz VGRDEXVCOOCGJV-XPUUQOCRSA-N -1 0 323.758 -0.159 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc(C)oc1C ZINC000776557380 804458512 /nfs/dbraw/zinc/45/85/12/804458512.db2.gz IUHUDLJSPSHBHU-UHFFFAOYSA-N -1 0 318.351 -0.194 20 0 DBADRM Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)[N-]OCCO ZINC000776581070 804459305 /nfs/dbraw/zinc/45/93/05/804459305.db2.gz CLEFIHXMLJPZOO-GFCCVEGCSA-N -1 0 309.301 -0.055 20 0 DBADRM Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)[N-]OCCO ZINC000776583929 804459543 /nfs/dbraw/zinc/45/95/43/804459543.db2.gz HMKGFQNSDOWPBM-GFCCVEGCSA-N -1 0 309.301 -0.055 20 0 DBADRM COc1cccc(C[C@H](C(=O)[N-]OCCO)n2nnnc2C)c1 ZINC000776584918 804459632 /nfs/dbraw/zinc/45/96/32/804459632.db2.gz YCRHJZDFUCLECT-CYBMUJFWSA-N -1 0 321.337 -0.186 20 0 DBADRM Cc1nc[nH]c1CC(=O)NCCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001283225569 804459724 /nfs/dbraw/zinc/45/97/24/804459724.db2.gz YOJZMKSLWUGDIP-UHFFFAOYSA-N -1 0 320.353 -0.066 20 0 DBADRM C[C@H](CCNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000776589566 804459755 /nfs/dbraw/zinc/45/97/55/804459755.db2.gz YRNVMORUTAYKCF-MRVPVSSYSA-N -1 0 301.386 -0.549 20 0 DBADRM CCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC000776601071 804460423 /nfs/dbraw/zinc/46/04/23/804460423.db2.gz LAMPOIZUYQVHHQ-GHMZBOCLSA-N -1 0 302.352 -0.041 20 0 DBADRM CC(C)N(C)S(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000776634614 804460710 /nfs/dbraw/zinc/46/07/10/804460710.db2.gz ATFODQKZCLYBAX-NSHDSACASA-N -1 0 318.399 -0.162 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)NC1CC1)[C@H](O)c1ccccc1 ZINC000776603255 804460761 /nfs/dbraw/zinc/46/07/61/804460761.db2.gz OLFIUCKDQBILBN-GHMZBOCLSA-N -1 0 300.336 -0.240 20 0 DBADRM COCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1 ZINC000776602031 804460795 /nfs/dbraw/zinc/46/07/95/804460795.db2.gz YABLPAHRCNSHDL-MNOVXSKESA-N -1 0 303.336 -0.261 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000776632271 804460813 /nfs/dbraw/zinc/46/08/13/804460813.db2.gz DYSGVVJMFBASAJ-JTQLQIEISA-N -1 0 322.383 -0.688 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC000776600753 804460841 /nfs/dbraw/zinc/46/08/41/804460841.db2.gz ISVOPECFRPLJAV-JTQLQIEISA-N -1 0 317.367 -0.032 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)OC2)C(=O)[O-] ZINC000776625582 804460849 /nfs/dbraw/zinc/46/08/49/804460849.db2.gz HHAVTPVZCGWVKP-SNVBAGLBSA-N -1 0 315.303 -0.265 20 0 DBADRM O=C([O-])[C@H](CC1CCOCC1)NS(=O)(=O)[C@H]1CCOC1 ZINC000776603160 804460898 /nfs/dbraw/zinc/46/08/98/804460898.db2.gz UPSSAUROMJJLQG-QWRGUYRKSA-N -1 0 307.368 -0.035 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776681575 804461635 /nfs/dbraw/zinc/46/16/35/804461635.db2.gz CTRGYPXPTUABMM-SNVBAGLBSA-N -1 0 322.383 -0.135 20 0 DBADRM CN(CCCC(=O)[O-])S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776652677 804461770 /nfs/dbraw/zinc/46/17/70/804461770.db2.gz BFFMXOWMGHUHMB-UHFFFAOYSA-N -1 0 322.383 -0.133 20 0 DBADRM O=C([O-])CN(C1CC1)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776674570 804462154 /nfs/dbraw/zinc/46/21/54/804462154.db2.gz VDJPPSWKWZNAMJ-UHFFFAOYSA-N -1 0 320.367 -0.381 20 0 DBADRM CCOCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000777347857 804469701 /nfs/dbraw/zinc/46/97/01/804469701.db2.gz PWVZRLXTWWLFEV-UHFFFAOYSA-N -1 0 300.336 -0.112 20 0 DBADRM COCCOc1cc(C(=O)[N-]S(=O)(=O)CCOC)ccn1 ZINC000777318677 804470068 /nfs/dbraw/zinc/47/00/68/804470068.db2.gz SJRGHDONXWHPBI-UHFFFAOYSA-N -1 0 318.351 -0.187 20 0 DBADRM C[C@H](CC(C)(C)NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000777910396 804477200 /nfs/dbraw/zinc/47/72/00/804477200.db2.gz JBVJRLGEEZMBPH-MRVPVSSYSA-N -1 0 315.413 -0.160 20 0 DBADRM C[C@@H](CC(C)(C)NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000777910443 804477422 /nfs/dbraw/zinc/47/74/22/804477422.db2.gz JBVJRLGEEZMBPH-QMMMGPOBSA-N -1 0 315.413 -0.160 20 0 DBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777912513 804477649 /nfs/dbraw/zinc/47/76/49/804477649.db2.gz QKRBKYPZCXFZFB-NSHDSACASA-N -1 0 315.351 -0.233 20 0 DBADRM NS(=O)(=O)c1cnn(CC(=O)[N-]OCCC(F)(F)F)c1 ZINC000777973489 804477665 /nfs/dbraw/zinc/47/76/65/804477665.db2.gz IIHYFPLGKOXJBN-UHFFFAOYSA-N -1 0 316.261 -0.469 20 0 DBADRM O=C(Nn1cc(Br)cn1)c1n[nH]c(=O)[n-]c1=O ZINC000778396376 804484277 /nfs/dbraw/zinc/48/42/77/804484277.db2.gz MJSNTZFUYOPWKD-UHFFFAOYSA-N -1 0 301.060 -0.374 20 0 DBADRM O=C(CN1CCN2C(=O)NC(=O)[C@@H]2C1)[N-]OCc1ccccc1 ZINC000778952600 804491358 /nfs/dbraw/zinc/49/13/58/804491358.db2.gz FEGWFWPUOQTSNT-LBPRGKRZSA-N -1 0 318.333 -0.530 20 0 DBADRM CN(CCOCCNC(=O)c1ccn(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001283364121 804493072 /nfs/dbraw/zinc/49/30/72/804493072.db2.gz SLDKZSQBWCOJIN-UHFFFAOYSA-N -1 0 322.369 -0.273 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)N[C@@H]3CNC(=O)C3)cc2[n-]c1=S ZINC000779445165 804497575 /nfs/dbraw/zinc/49/75/75/804497575.db2.gz WWCARMYQNURLNE-QMMMGPOBSA-N -1 0 318.358 -0.160 20 0 DBADRM C/C=C(\C)C(=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001283386491 804497640 /nfs/dbraw/zinc/49/76/40/804497640.db2.gz BCABLQBZQSPFQW-VGANXODHSA-N -1 0 321.337 -0.078 20 0 DBADRM COCCOC(=O)c1c(C)[nH]c(C(=O)N=c2nn[n-]n2C)c1C ZINC000779466339 804498272 /nfs/dbraw/zinc/49/82/72/804498272.db2.gz CTEQOVCRIBJLKL-UHFFFAOYSA-N -1 0 322.325 -0.368 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CSCCS1 ZINC000780389035 804514667 /nfs/dbraw/zinc/51/46/67/804514667.db2.gz WWTMCKZDJOZRSZ-QMMMGPOBSA-N -1 0 312.438 -0.472 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)N1CCOC[C@H]1C(=O)[O-])CC2 ZINC000780528918 804516674 /nfs/dbraw/zinc/51/66/74/804516674.db2.gz MAWAQMNPHBIHDC-ZJUUUORDSA-N -1 0 309.326 -0.604 20 0 DBADRM O=C(COC1CCOCC1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780612708 804517512 /nfs/dbraw/zinc/51/75/12/804517512.db2.gz XLFQWRGKFXHXRU-LLVKDONJSA-N -1 0 307.368 -0.193 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780610627 804517629 /nfs/dbraw/zinc/51/76/29/804517629.db2.gz BDPPOZPBKJBYLH-SECBINFHSA-N -1 0 315.351 -0.637 20 0 DBADRM O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780613547 804517808 /nfs/dbraw/zinc/51/78/08/804517808.db2.gz VFSGAQSPYOZCBO-QWRGUYRKSA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@@H](NC(=O)NCCS(=O)(=O)NCC1CCC1)C(=O)[O-] ZINC000780572491 804518002 /nfs/dbraw/zinc/51/80/02/804518002.db2.gz ZKURPPDZDFOYKJ-MRVPVSSYSA-N -1 0 307.372 -0.522 20 0 DBADRM CC(C)[C@H](NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000780694799 804518432 /nfs/dbraw/zinc/51/84/32/804518432.db2.gz KCLDDLJWYFBKAG-ZJUUUORDSA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)[C@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000780694797 804518482 /nfs/dbraw/zinc/51/84/82/804518482.db2.gz KCLDDLJWYFBKAG-UWVGGRQHSA-N -1 0 321.399 -0.324 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H]1C(=O)[O-])CC2 ZINC000780655758 804518488 /nfs/dbraw/zinc/51/84/88/804518488.db2.gz NMTLRIOEAIKJTG-ZJUUUORDSA-N -1 0 323.353 -0.002 20 0 DBADRM CC[C@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000780694722 804518743 /nfs/dbraw/zinc/51/87/43/804518743.db2.gz DIBZQUOCNPSEQM-BDAKNGLRSA-N -1 0 307.372 -0.427 20 0 DBADRM CC[C@@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000780694724 804518759 /nfs/dbraw/zinc/51/87/59/804518759.db2.gz DIBZQUOCNPSEQM-RKDXNWHRSA-N -1 0 307.372 -0.427 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)on1 ZINC000781455087 804528243 /nfs/dbraw/zinc/52/82/43/804528243.db2.gz TWYVPUYWGSRQAF-LURJTMIESA-N -1 0 304.280 -0.690 20 0 DBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)c1=O ZINC000781512544 804529660 /nfs/dbraw/zinc/52/96/60/804529660.db2.gz IYCVDFXLPCSGBG-SECBINFHSA-N -1 0 300.336 -0.376 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1ccc2nncn2c1 ZINC000781498317 804529799 /nfs/dbraw/zinc/52/97/99/804529799.db2.gz BEPIJFHQBCZSOE-SNVBAGLBSA-N -1 0 310.335 -0.032 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000781510811 804530028 /nfs/dbraw/zinc/53/00/28/804530028.db2.gz JUESDCWPMRXBJQ-WCQYABFASA-N -1 0 318.395 -0.130 20 0 DBADRM COCCO[N-]C(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001324900493 807014664 /nfs/dbraw/zinc/01/46/64/807014664.db2.gz AHNGYMULVZZCSP-LLVKDONJSA-N -1 0 324.337 -0.129 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000781730487 804534347 /nfs/dbraw/zinc/53/43/47/804534347.db2.gz ZSFWHSTVKYDVRY-UHFFFAOYSA-N -1 0 315.336 -0.906 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cc(C2CC2)n(C)n1 ZINC000781738681 804534433 /nfs/dbraw/zinc/53/44/33/804534433.db2.gz SGLYTIJILKXHOZ-UHFFFAOYSA-N -1 0 310.339 -0.455 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc2nsnc2c1 ZINC000781738886 804534558 /nfs/dbraw/zinc/53/45/58/804534558.db2.gz ZFBLSIFBISALQJ-UHFFFAOYSA-N -1 0 324.347 -0.062 20 0 DBADRM CCOc1nc(C(=O)[N-]S(=O)(=O)c2cnnn2C)co1 ZINC000781736693 804534671 /nfs/dbraw/zinc/53/46/71/804534671.db2.gz FITBKPOKOPKXQU-UHFFFAOYSA-N -1 0 301.284 -0.680 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000781739678 804534738 /nfs/dbraw/zinc/53/47/38/804534738.db2.gz GQPLJXTXZXCIMC-UHFFFAOYSA-N -1 0 322.306 -0.083 20 0 DBADRM COCCO[N-]C(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001324900495 807014792 /nfs/dbraw/zinc/01/47/92/807014792.db2.gz AHNGYMULVZZCSP-NSHDSACASA-N -1 0 324.337 -0.129 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)cc1 ZINC000781740456 804535782 /nfs/dbraw/zinc/53/57/82/804535782.db2.gz PDEPADWLDGZOJY-UHFFFAOYSA-N -1 0 324.318 -0.280 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cn1 ZINC000781810892 804535843 /nfs/dbraw/zinc/53/58/43/804535843.db2.gz OOLOXNKZCKOFAL-UHFFFAOYSA-N -1 0 302.356 -0.400 20 0 DBADRM CN(CCCNC(=O)C(C)(C)C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001283650917 804547096 /nfs/dbraw/zinc/54/70/96/804547096.db2.gz IVVJYDXXCAKOKP-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000782704769 804552845 /nfs/dbraw/zinc/55/28/45/804552845.db2.gz YKRQQFOJIFJGDT-UHFFFAOYSA-N -1 0 316.383 -0.178 20 0 DBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000782639043 804552965 /nfs/dbraw/zinc/55/29/65/804552965.db2.gz OZZMXQBSJZFSMT-UHFFFAOYSA-N -1 0 312.756 -0.416 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCCC1)c1cnc2n[nH]nc2c1 ZINC000783078107 804560654 /nfs/dbraw/zinc/56/06/54/804560654.db2.gz LFWVQVWRHGDHEF-UHFFFAOYSA-N -1 0 310.339 -0.187 20 0 DBADRM O=C([N-]S(=O)(=O)CC(F)(F)F)c1cnc2n[nH]nc2c1 ZINC000783100284 804560983 /nfs/dbraw/zinc/56/09/83/804560983.db2.gz WTRIQLAFCPGTGC-UHFFFAOYSA-N -1 0 309.229 -0.025 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1cnc2n[nH]nc2c1 ZINC000783124402 804562073 /nfs/dbraw/zinc/56/20/73/804562073.db2.gz MZGXONBOUCZDHN-QMMMGPOBSA-N -1 0 311.323 -0.409 20 0 DBADRM Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000783913590 804572489 /nfs/dbraw/zinc/57/24/89/804572489.db2.gz BWZLDSCMEMRYQJ-ZDUSSCGKSA-N -1 0 300.318 -0.130 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)c2cnccn2)n1 ZINC000784528919 804581729 /nfs/dbraw/zinc/58/17/29/804581729.db2.gz FAVXCJJUBCIFBY-UHFFFAOYSA-N -1 0 311.323 -0.562 20 0 DBADRM COC[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@H](C)O1 ZINC000784667053 804584445 /nfs/dbraw/zinc/58/44/45/804584445.db2.gz DJNQYJWVRXMESN-ZJUUUORDSA-N -1 0 321.337 -0.667 20 0 DBADRM CO[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC[C@@H]1C ZINC000784663454 804584666 /nfs/dbraw/zinc/58/46/66/804584666.db2.gz OLJOEVUOPSBVTL-GXSJLCMTSA-N -1 0 305.338 -0.045 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)COCCNC(=O)c1ccccc1 ZINC000784867065 804589147 /nfs/dbraw/zinc/58/91/47/804589147.db2.gz KFPGJXJMPAFJJM-UHFFFAOYSA-N -1 0 314.363 -0.101 20 0 DBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000785095079 804591616 /nfs/dbraw/zinc/59/16/16/804591616.db2.gz OVAWAPWARKAULJ-IUCAKERBSA-N -1 0 312.413 -0.345 20 0 DBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000785095075 804591942 /nfs/dbraw/zinc/59/19/42/804591942.db2.gz OVAWAPWARKAULJ-BDAKNGLRSA-N -1 0 312.413 -0.345 20 0 DBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000785079814 804592107 /nfs/dbraw/zinc/59/21/07/804592107.db2.gz ZUATXJJDODTXPJ-UWVGGRQHSA-N -1 0 306.384 -0.274 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 ZINC000785358067 804597145 /nfs/dbraw/zinc/59/71/45/804597145.db2.gz ZNKZMVDIOXBEQZ-UHFFFAOYSA-N -1 0 320.309 -0.014 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000785357977 804597834 /nfs/dbraw/zinc/59/78/34/804597834.db2.gz XLFMBVUXAZOQKY-UHFFFAOYSA-N -1 0 315.351 -0.057 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)OC)c1 ZINC000785362298 804597875 /nfs/dbraw/zinc/59/78/75/804597875.db2.gz KVVFEPHBEZCQCR-UHFFFAOYSA-N -1 0 310.262 -0.124 20 0 DBADRM COc1ccc(Cl)cc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785387864 804598109 /nfs/dbraw/zinc/59/81/09/804598109.db2.gz JBSBOQQIXHLZHR-UHFFFAOYSA-N -1 0 301.686 -0.180 20 0 DBADRM CCc1c(NC(=O)C(=O)[N-]OCC(N)=O)cnn1CC(C)C ZINC000785387884 804598649 /nfs/dbraw/zinc/59/86/49/804598649.db2.gz JIDXHANTJFCZQH-UHFFFAOYSA-N -1 0 311.342 -0.427 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000785387176 804598741 /nfs/dbraw/zinc/59/87/41/804598741.db2.gz ZIEKWXLAJIXMQW-UHFFFAOYSA-N -1 0 317.248 -0.198 20 0 DBADRM CC(=O)N[C@H](CC1CCC1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000786418026 804615097 /nfs/dbraw/zinc/61/50/97/804615097.db2.gz OJORLUHUFKPZLV-NWDGAFQWSA-N -1 0 318.395 -0.084 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000786958316 804626725 /nfs/dbraw/zinc/62/67/25/804626725.db2.gz GTYREZRPOZSCJL-NXEZZACHSA-N -1 0 321.399 -0.783 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000787241800 804629643 /nfs/dbraw/zinc/62/96/43/804629643.db2.gz FVRGUXRHVULQMP-UHFFFAOYSA-N -1 0 319.321 -0.422 20 0 DBADRM CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)[N-]OCCO ZINC000787293718 804632315 /nfs/dbraw/zinc/63/23/15/804632315.db2.gz KGGNSBVZTYANLI-LLVKDONJSA-N -1 0 306.326 -0.685 20 0 DBADRM CCN1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1=O ZINC000787475980 804635127 /nfs/dbraw/zinc/63/51/27/804635127.db2.gz DSZRWZKAJWFROB-UHFFFAOYSA-N -1 0 318.337 -0.848 20 0 DBADRM Cn1nnc(CNC(=O)CSc2n[n-]c(=S)s2)n1 ZINC000787853578 804643820 /nfs/dbraw/zinc/64/38/20/804643820.db2.gz BTLDYBSSYDNPIE-UHFFFAOYSA-N -1 0 303.398 -0.241 20 0 DBADRM O=C(c1cnon1)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001035818582 815028192 /nfs/dbraw/zinc/02/81/92/815028192.db2.gz BATHEBOLIBLGPY-UHFFFAOYSA-N -1 0 319.325 -0.369 20 0 DBADRM CC(=O)C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000787935196 804646834 /nfs/dbraw/zinc/64/68/34/804646834.db2.gz MWWKELPDVVMCLA-JTQLQIEISA-N -1 0 314.319 -0.504 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CCc1cnn(C)c1 ZINC000788090940 804649132 /nfs/dbraw/zinc/64/91/32/804649132.db2.gz LEOBBRPURMRVRJ-UHFFFAOYSA-N -1 0 313.339 -0.264 20 0 DBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]OC[C@H]1CCOC1 ZINC000788119485 804650541 /nfs/dbraw/zinc/65/05/41/804650541.db2.gz DOAYJRHZWCSAKM-JTQLQIEISA-N -1 0 304.306 -0.124 20 0 DBADRM CCOC(=O)NCC(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000788146259 804651520 /nfs/dbraw/zinc/65/15/20/804651520.db2.gz AJKPYJOATSZTPT-SSDOTTSWSA-N -1 0 300.344 -0.438 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000788150829 804651686 /nfs/dbraw/zinc/65/16/86/804651686.db2.gz XYOXWGQMJIDEJX-NKWVEPMBSA-N -1 0 300.344 -0.439 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)[N-]OC[C@H]1CCOC1)n1cccn1 ZINC000788272558 804655264 /nfs/dbraw/zinc/65/52/64/804655264.db2.gz BWCPMTCHPVKFJK-NEPJUHHUSA-N -1 0 310.354 -0.013 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)C2CN(C(C)=O)C2)cn1 ZINC000788368765 804657659 /nfs/dbraw/zinc/65/76/59/804657659.db2.gz CRZBTJYKXLJJCU-UHFFFAOYSA-N -1 0 300.340 -0.814 20 0 DBADRM O=C([O-])/C=C/CNS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000788444830 804661507 /nfs/dbraw/zinc/66/15/07/804661507.db2.gz BDUBTPFMNGBCDJ-GORDUTHDSA-N -1 0 309.307 -0.419 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)[N-]OC[C@H]1CCOC1 ZINC000788570050 804664108 /nfs/dbraw/zinc/66/41/08/804664108.db2.gz KMPMJWMNHQXEDI-JTQLQIEISA-N -1 0 310.372 -0.973 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cnc(Cl)n1C)CC(=O)[O-] ZINC000788693571 804666326 /nfs/dbraw/zinc/66/63/26/804666326.db2.gz LBYUPBWWNNSFSU-LURJTMIESA-N -1 0 311.747 -0.159 20 0 DBADRM O=C1OCc2ccc(S(=O)(=O)[N-]N3CCCNC3=O)cc21 ZINC000788911381 804667095 /nfs/dbraw/zinc/66/70/95/804667095.db2.gz BDBAAAPTUWCLPK-UHFFFAOYSA-N -1 0 311.319 -0.034 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]N1CCCNC1=O ZINC000788915649 804667792 /nfs/dbraw/zinc/66/77/92/804667792.db2.gz HULVVVUHVDGQGY-UHFFFAOYSA-N -1 0 317.327 -0.887 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000789823890 804677883 /nfs/dbraw/zinc/67/78/83/804677883.db2.gz DLLXBUFONONFAI-UHFFFAOYSA-N -1 0 305.294 -0.100 20 0 DBADRM CCc1[nH]nc(C(=O)[N-]N2CC(=O)NC2=O)c1Br ZINC000789899145 804678928 /nfs/dbraw/zinc/67/89/28/804678928.db2.gz PHMMBKGGHGDCLD-UHFFFAOYSA-N -1 0 316.115 -0.069 20 0 DBADRM O=C([O-])[C@H](O)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000790077223 804683733 /nfs/dbraw/zinc/68/37/33/804683733.db2.gz VPOPEPVYFRVDQJ-WDEREUQCSA-N -1 0 306.384 -0.125 20 0 DBADRM COc1cc(C=O)ccc1OCC(=O)NCCc1nc(=O)o[n-]1 ZINC000790079949 804684150 /nfs/dbraw/zinc/68/41/50/804684150.db2.gz QRHVXXBVKMDKOE-UHFFFAOYSA-N -1 0 321.289 -0.078 20 0 DBADRM COc1nc(C(=O)OCCC2CS(=O)(=O)C2)cc(=O)[n-]1 ZINC000790666287 804691452 /nfs/dbraw/zinc/69/14/52/804691452.db2.gz QFINEYZFGIKCGI-UHFFFAOYSA-N -1 0 302.308 -0.218 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000791330042 804702139 /nfs/dbraw/zinc/70/21/39/804702139.db2.gz KDXHLUSVDGGVLC-GFCCVEGCSA-N -1 0 300.318 -0.048 20 0 DBADRM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cc(=O)[nH][n-]1 ZINC000791345710 804703173 /nfs/dbraw/zinc/70/31/73/804703173.db2.gz BMDPWVVCXBVFJK-QMMMGPOBSA-N -1 0 324.362 -0.271 20 0 DBADRM Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2cc(=O)[nH][n-]2)cn1 ZINC000791386919 804703243 /nfs/dbraw/zinc/70/32/43/804703243.db2.gz DZYSQQAZOVEOKL-SNVBAGLBSA-N -1 0 303.322 -0.140 20 0 DBADRM COc1cncc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)n1 ZINC000791869803 804710306 /nfs/dbraw/zinc/71/03/06/804710306.db2.gz KQSBNKOZUPICKC-MRVPVSSYSA-N -1 0 301.324 -0.276 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cncc(OC)n1 ZINC000791836436 804710366 /nfs/dbraw/zinc/71/03/66/804710366.db2.gz JIDFJIQLOWYMAH-UHFFFAOYSA-N -1 0 319.339 -0.792 20 0 DBADRM CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791935861 804712039 /nfs/dbraw/zinc/71/20/39/804712039.db2.gz SEKYCNNFFBFFHC-UHFFFAOYSA-N -1 0 324.355 -0.150 20 0 DBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2ncccc2F)CC1 ZINC000791943229 804712272 /nfs/dbraw/zinc/71/22/72/804712272.db2.gz LLANVBOTEKMNTK-UHFFFAOYSA-N -1 0 302.283 -0.021 20 0 DBADRM CC(=O)N1CCC[C@@H]1CCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001284480828 804716426 /nfs/dbraw/zinc/71/64/26/804716426.db2.gz MEHRMNOOOOKMKL-VIFPVBQESA-N -1 0 309.326 -0.196 20 0 DBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000793148022 804724754 /nfs/dbraw/zinc/72/47/54/804724754.db2.gz NHTONABBZVKZJF-JTQLQIEISA-N -1 0 303.340 -0.828 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CC1OCCCO1 ZINC000793225169 804727049 /nfs/dbraw/zinc/72/70/49/804727049.db2.gz WQBANPKHQKECBI-RKDXNWHRSA-N -1 0 323.367 -0.217 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CC1OCCCO1 ZINC000793225166 804727096 /nfs/dbraw/zinc/72/70/96/804727096.db2.gz WQBANPKHQKECBI-DTWKUNHWSA-N -1 0 323.367 -0.217 20 0 DBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)n1 ZINC000793276487 804727168 /nfs/dbraw/zinc/72/71/68/804727168.db2.gz NCYIUVGPBJJOHI-UHFFFAOYSA-N -1 0 310.339 -0.460 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000793198061 804727562 /nfs/dbraw/zinc/72/75/62/804727562.db2.gz UMUHTCFKMZKUJO-SNVBAGLBSA-N -1 0 310.331 -0.322 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)C(=O)NCC2CC2)c1[O-] ZINC001284514710 804727484 /nfs/dbraw/zinc/72/74/84/804727484.db2.gz UQWGUUQCIQECES-UHFFFAOYSA-N -1 0 323.353 -0.862 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)[N-]OCCSC ZINC000794191392 804744724 /nfs/dbraw/zinc/74/47/24/804744724.db2.gz DAFWJNSQOVBWQH-UHFFFAOYSA-N -1 0 300.402 -0.647 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)[N-]OCCSC ZINC000794185143 804745073 /nfs/dbraw/zinc/74/50/73/804745073.db2.gz YENWGTRYEBBMTC-UHFFFAOYSA-N -1 0 300.402 -0.647 20 0 DBADRM NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000795344199 804758809 /nfs/dbraw/zinc/75/88/09/804758809.db2.gz FRILZYSNXOHQEV-UHFFFAOYSA-N -1 0 310.339 -0.158 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@@H](OC)C2CC2)c(C)nn1C ZINC000796859268 804774172 /nfs/dbraw/zinc/77/41/72/804774172.db2.gz HEDCMKGXKSSKRK-VIFPVBQESA-N -1 0 317.367 -0.033 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)CCn1cnccc1=O ZINC000796865533 804774241 /nfs/dbraw/zinc/77/42/41/804774241.db2.gz UBCNEGGLXHSOSD-UHFFFAOYSA-N -1 0 303.340 -0.884 20 0 DBADRM COc1ncc(C=CC(=O)[N-]S(=O)(=O)c2cc[nH]n2)cn1 ZINC000796882036 804774730 /nfs/dbraw/zinc/77/47/30/804774730.db2.gz AMAIPPYNTAAIRF-IHWYPQMZSA-N -1 0 309.307 -0.273 20 0 DBADRM Cn1nc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cc1OC(F)F ZINC000796882474 804774926 /nfs/dbraw/zinc/77/49/26/804774926.db2.gz NACHWKVJKOTILC-UHFFFAOYSA-N -1 0 321.265 -0.137 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)c1cc[nH]n1)[C@@H]1CCSC1 ZINC000796874924 804774935 /nfs/dbraw/zinc/77/49/35/804774935.db2.gz NMVVLXQARZGNAX-MRVPVSSYSA-N -1 0 304.397 -0.348 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796882892 804775177 /nfs/dbraw/zinc/77/51/77/804775177.db2.gz KKJQIGBCXKVHRJ-SSDOTTSWSA-N -1 0 312.307 -0.374 20 0 DBADRM Cn1cc(C(=O)CCC(=O)[N-]S(=O)(=O)c2cc[nH]n2)cn1 ZINC000796883955 804775628 /nfs/dbraw/zinc/77/56/28/804775628.db2.gz QANVAVKAKJWBKK-UHFFFAOYSA-N -1 0 311.323 -0.389 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796883423 804776018 /nfs/dbraw/zinc/77/60/18/804776018.db2.gz NZVBGPLPBQTHQL-UHFFFAOYSA-N -1 0 314.323 -0.856 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)c1ccn(CC(F)F)n1 ZINC000796884466 804776087 /nfs/dbraw/zinc/77/60/87/804776087.db2.gz TZHBQJCCSOMJDK-UHFFFAOYSA-N -1 0 305.266 -0.010 20 0 DBADRM Cc1c(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)cnn1C ZINC000797057234 804776297 /nfs/dbraw/zinc/77/62/97/804776297.db2.gz XPIRZMYVTAVMEA-LLVKDONJSA-N -1 0 301.368 -0.104 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000797155377 804777270 /nfs/dbraw/zinc/77/72/70/804777270.db2.gz MRAPTVVWFRFBFX-UHFFFAOYSA-N -1 0 304.303 -0.655 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2 ZINC000797065180 804777390 /nfs/dbraw/zinc/77/73/90/804777390.db2.gz XGUNMPYWBMFXAE-ZETCQYMHSA-N -1 0 317.323 -0.713 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1ccn(C)n1 ZINC000797063445 804777757 /nfs/dbraw/zinc/77/77/57/804777757.db2.gz QITABNXUUDJVIJ-MRVPVSSYSA-N -1 0 303.340 -0.640 20 0 DBADRM Cc1c(CC(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)cnn1C ZINC000797126298 804778049 /nfs/dbraw/zinc/77/80/49/804778049.db2.gz FKRFRVODUJOSIX-UHFFFAOYSA-N -1 0 323.378 -0.081 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000797069392 804778115 /nfs/dbraw/zinc/77/81/15/804778115.db2.gz FYJNZSSHQCSZEM-ONGXEEELSA-N -1 0 321.399 -0.770 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)CCc2ccn(C)n2)CC1 ZINC000797274166 804778547 /nfs/dbraw/zinc/77/85/47/804778547.db2.gz BECCHWKFFGBJHX-UHFFFAOYSA-N -1 0 301.368 -0.022 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000797249322 804778650 /nfs/dbraw/zinc/77/86/50/804778650.db2.gz VPBXGKIYPNQMRN-SECBINFHSA-N -1 0 307.372 -0.822 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)COCc1cc(C)no1 ZINC000797279798 804778712 /nfs/dbraw/zinc/77/87/12/804778712.db2.gz HLKYZJHPNIMHAR-QMMMGPOBSA-N -1 0 320.323 -0.493 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCOC1CCOCC1 ZINC000797279619 804779028 /nfs/dbraw/zinc/77/90/28/804779028.db2.gz DVIOJIQPQAIUQN-SECBINFHSA-N -1 0 323.367 -0.420 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)C1 ZINC000797290693 804779516 /nfs/dbraw/zinc/77/95/16/804779516.db2.gz CBPWMJCFDWLJLJ-RKDXNWHRSA-N -1 0 320.367 -0.748 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]1CCCO1 ZINC000797288046 804779691 /nfs/dbraw/zinc/77/96/91/804779691.db2.gz SFTDQOSDXCBQDK-LPEHRKFASA-N -1 0 323.367 -0.422 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)cn1 ZINC000797289342 804779822 /nfs/dbraw/zinc/77/98/22/804779822.db2.gz GFLHEHLUESEBKW-ZETCQYMHSA-N -1 0 317.323 -0.504 20 0 DBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000797289956 804779902 /nfs/dbraw/zinc/77/99/02/804779902.db2.gz HWXODMHJVFJXCI-BDAKNGLRSA-N -1 0 311.356 -0.565 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000797288531 804779938 /nfs/dbraw/zinc/77/99/38/804779938.db2.gz BJJBKLMQRHOMIA-YFKPBYRVSA-N -1 0 320.348 -0.532 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)c1cnn(C)c1 ZINC000797285777 804779995 /nfs/dbraw/zinc/77/99/95/804779995.db2.gz VUOXNKNQDBXZIU-YUMQZZPRSA-N -1 0 303.340 -0.469 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000797300725 804780296 /nfs/dbraw/zinc/78/02/96/804780296.db2.gz NIGCIFHGBLQSFC-YUMQZZPRSA-N -1 0 322.383 -0.455 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OC)nc1 ZINC000797302631 804780345 /nfs/dbraw/zinc/78/03/45/804780345.db2.gz UTCNMWVROAZNTJ-ZETCQYMHSA-N -1 0 302.308 -0.289 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cncc(OC)n1 ZINC000797303886 804780423 /nfs/dbraw/zinc/78/04/23/804780423.db2.gz ZLFCQSMIEXHGLC-LURJTMIESA-N -1 0 303.296 -0.894 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C(C)(C)C)nn1 ZINC000797300557 804780680 /nfs/dbraw/zinc/78/06/80/804780680.db2.gz DYLHSFHQPHSHOH-ZETCQYMHSA-N -1 0 318.355 -0.346 20 0 DBADRM COC(=O)c1coc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)c1 ZINC000797300052 804780685 /nfs/dbraw/zinc/78/06/85/804780685.db2.gz BGJUZFWLSZFNLE-LURJTMIESA-N -1 0 319.291 -0.313 20 0 DBADRM COCc1nc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)cs1 ZINC000797302937 804780785 /nfs/dbraw/zinc/78/07/85/804780785.db2.gz VVPTUEPFLZPGGH-LURJTMIESA-N -1 0 322.364 -0.089 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)c1cnn(C)c1 ZINC000797300647 804780799 /nfs/dbraw/zinc/78/07/99/804780799.db2.gz NBFOXKZOORXFQG-QMMMGPOBSA-N -1 0 317.367 -0.295 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCc1ccnn1C ZINC000797307100 804781078 /nfs/dbraw/zinc/78/10/78/804781078.db2.gz WSBBMZRQTSWZKO-QMMMGPOBSA-N -1 0 303.340 -0.640 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2nncn2c1 ZINC000798200639 804786919 /nfs/dbraw/zinc/78/69/19/804786919.db2.gz MSFOGINOAHBFJS-ZETCQYMHSA-N -1 0 312.307 -0.650 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2nncn2c1 ZINC000798200637 804786969 /nfs/dbraw/zinc/78/69/69/804786969.db2.gz MSFOGINOAHBFJS-SSDOTTSWSA-N -1 0 312.307 -0.650 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)cc1 ZINC000798201020 804787462 /nfs/dbraw/zinc/78/74/62/804787462.db2.gz QDLUBUKTNSAYSU-ZETCQYMHSA-N -1 0 314.319 -0.593 20 0 DBADRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2cnnn2C)cc1 ZINC000798811609 804801696 /nfs/dbraw/zinc/80/16/96/804801696.db2.gz HRFXALDNAKVKIW-UHFFFAOYSA-N -1 0 323.334 -0.108 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@@H](OC)c1cnn(C)c1 ZINC000798854568 804802843 /nfs/dbraw/zinc/80/28/43/804802843.db2.gz ZMTGJTVAYBPVAO-NSHDSACASA-N -1 0 319.383 -0.020 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC000798999023 804804935 /nfs/dbraw/zinc/80/49/35/804804935.db2.gz DJASMJYMWWJMKD-HTQZYQBOSA-N -1 0 312.288 -0.355 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)n1cncn1)C(=O)[O-] ZINC000799247113 804809349 /nfs/dbraw/zinc/80/93/49/804809349.db2.gz CYMAJBHAZCYABM-UWVGGRQHSA-N -1 0 311.342 -0.429 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)/C=C\c1ccccc1F ZINC000799914598 804816918 /nfs/dbraw/zinc/81/69/18/804816918.db2.gz SRKAPRHGMKMCDD-WAYWQWQTSA-N -1 0 316.310 -0.083 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000800027646 804819571 /nfs/dbraw/zinc/81/95/71/804819571.db2.gz CGBGBOFNSLHRGO-UHFFFAOYSA-N -1 0 323.758 -0.014 20 0 DBADRM CC(=O)CCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000800382843 804823728 /nfs/dbraw/zinc/82/37/28/804823728.db2.gz MJSRVTHDEWYLCA-UHFFFAOYSA-N -1 0 323.334 -0.164 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCOCC(F)F ZINC000800550790 804825365 /nfs/dbraw/zinc/82/53/65/804825365.db2.gz IDVFXZDINOTOJU-UHFFFAOYSA-N -1 0 302.299 -0.760 20 0 DBADRM C[N@H+](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@@H]1CCSC1 ZINC000800549092 804825758 /nfs/dbraw/zinc/82/57/58/804825758.db2.gz HWTAKMHKLUUWSK-SECBINFHSA-N -1 0 323.440 -0.994 20 0 DBADRM CC(C)n1ccc(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC000800549938 804825919 /nfs/dbraw/zinc/82/59/19/804825919.db2.gz SFAZDRZKPQDWTB-UHFFFAOYSA-N -1 0 316.383 -0.411 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccn(CC(F)F)n1 ZINC000800552000 804826049 /nfs/dbraw/zinc/82/60/49/804826049.db2.gz HXFHLSCRWVJCEO-UHFFFAOYSA-N -1 0 324.309 -0.656 20 0 DBADRM CCc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(C)nn1 ZINC000800553205 804826363 /nfs/dbraw/zinc/82/63/63/804826363.db2.gz JYWSYENNKKBRLG-UHFFFAOYSA-N -1 0 314.367 -0.457 20 0 DBADRM C[C@H]1C(=O)CC[C@@H]1CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800553098 804826546 /nfs/dbraw/zinc/82/65/46/804826546.db2.gz IJCBUNMIWMSQAS-RKDXNWHRSA-N -1 0 304.368 -0.426 20 0 DBADRM CCc1csc(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC000801229125 804832995 /nfs/dbraw/zinc/83/29/95/804832995.db2.gz NCQJORQXVKIPOA-UHFFFAOYSA-N -1 0 319.408 -0.170 20 0 DBADRM CON(CC1CCOCC1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000801592101 804837115 /nfs/dbraw/zinc/83/71/15/804837115.db2.gz FEBGRPHRTOAUMK-UHFFFAOYSA-N -1 0 321.337 -0.112 20 0 DBADRM C[C@@](O)(CO)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000801973023 804841425 /nfs/dbraw/zinc/84/14/25/804841425.db2.gz AAJXTFTUIFERIH-AWEZNQCLSA-N -1 0 323.374 -0.455 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cncc(-n2ccnn2)c1 ZINC000802075616 804841571 /nfs/dbraw/zinc/84/15/71/804841571.db2.gz ZJEUSOGQPZSXMP-UHFFFAOYSA-N -1 0 324.366 -0.023 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(C)=O ZINC000802162079 804842307 /nfs/dbraw/zinc/84/23/07/804842307.db2.gz HOUJRRNZCYVSIF-PRJMDXOYSA-N -1 0 308.356 -0.845 20 0 DBADRM C/C=C(/C)C(=O)NC1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001285186655 804842905 /nfs/dbraw/zinc/84/29/05/804842905.db2.gz RAFPDZLRJCNRCU-CLTKARDFSA-N -1 0 321.337 -0.126 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccnn1C ZINC000802167909 804843229 /nfs/dbraw/zinc/84/32/29/804843229.db2.gz QZYHPCYSEATFHQ-HTQZYQBOSA-N -1 0 303.340 -0.323 20 0 DBADRM Cc1cc(=O)c(COC(=O)C(C)(C)NS(C)(=O)=O)n[n-]1 ZINC000802168680 804843754 /nfs/dbraw/zinc/84/37/54/804843754.db2.gz QQMQVTUWVQWBQU-UHFFFAOYSA-N -1 0 303.340 -0.138 20 0 DBADRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)n(C)n1 ZINC000802210068 804844586 /nfs/dbraw/zinc/84/45/86/804844586.db2.gz AKSRYVIUEVLION-UHFFFAOYSA-N -1 0 309.351 -0.010 20 0 DBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)CC1 ZINC000802209526 804844711 /nfs/dbraw/zinc/84/47/11/804844711.db2.gz BQEWSBYAMAXOEB-UHFFFAOYSA-N -1 0 313.335 -0.413 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000802208197 804844783 /nfs/dbraw/zinc/84/47/83/804844783.db2.gz CMVKLMREYGDXJK-QMMMGPOBSA-N -1 0 314.367 -0.451 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)C1CC=CC1 ZINC001285214123 804846247 /nfs/dbraw/zinc/84/62/47/804846247.db2.gz KAZOQWSMOORQKM-VIFPVBQESA-N -1 0 323.353 -0.476 20 0 DBADRM Cc1ccsc1S(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000802869682 804848510 /nfs/dbraw/zinc/84/85/10/804848510.db2.gz JAYHRBVLZCFTHQ-UHFFFAOYSA-N -1 0 318.376 -0.280 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000802999812 804848853 /nfs/dbraw/zinc/84/88/53/804848853.db2.gz HAOBCULRFNOLDF-SNVBAGLBSA-N -1 0 306.384 -0.225 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)CCC1 ZINC000802998505 804849129 /nfs/dbraw/zinc/84/91/29/804849129.db2.gz KRYVOGXHJLIPIN-SNVBAGLBSA-N -1 0 318.395 -0.225 20 0 DBADRM Cn1ncc(C(=O)[N-]N2C(=O)N[C@](C)(c3ccccc3)C2=O)n1 ZINC000803108338 804850363 /nfs/dbraw/zinc/85/03/63/804850363.db2.gz UOUYQDSLGAJCSA-CQSZACIVSA-N -1 0 314.305 -0.073 20 0 DBADRM CCOC(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)OCC ZINC000803182031 804851379 /nfs/dbraw/zinc/85/13/79/804851379.db2.gz SPMSCVYNXJUVSF-UHFFFAOYSA-N -1 0 310.372 -0.642 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000804270054 804868342 /nfs/dbraw/zinc/86/83/42/804868342.db2.gz IZHUABCTDCRVKR-UHFFFAOYSA-N -1 0 309.322 -0.862 20 0 DBADRM COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc(=O)[nH][n-]2)C1 ZINC000804368452 804869340 /nfs/dbraw/zinc/86/93/40/804869340.db2.gz DPJGXXMHARNEDA-JTQLQIEISA-N -1 0 307.228 -0.184 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1cc(=O)[nH][n-]1 ZINC000804501618 804871608 /nfs/dbraw/zinc/87/16/08/804871608.db2.gz YCMYJQKVGJWKSH-BDAKNGLRSA-N -1 0 316.383 -0.914 20 0 DBADRM CC/C=C(\C)C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001285424855 804876936 /nfs/dbraw/zinc/87/69/36/804876936.db2.gz XEYOJTPOLYLGEY-VHODGJRUSA-N -1 0 310.354 -0.013 20 0 DBADRM CC[C@]1(C)NC(=O)N(NC(=O)CSc2n[nH]c(=O)[n-]2)C1=O ZINC000806309031 804912830 /nfs/dbraw/zinc/91/28/30/804912830.db2.gz MDUFJQJEXLUJTJ-JTQLQIEISA-N -1 0 314.327 -0.646 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000806260617 804913470 /nfs/dbraw/zinc/91/34/70/804913470.db2.gz MUGYTZRPNYUDPN-SNVBAGLBSA-N -1 0 301.343 -0.804 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1csc(N(C)C)n1 ZINC000806661467 804921494 /nfs/dbraw/zinc/92/14/94/804921494.db2.gz HYFZCXYASWAIJF-UHFFFAOYSA-N -1 0 316.383 -0.090 20 0 DBADRM CC/C(C)=C\C(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001285641385 804933982 /nfs/dbraw/zinc/93/39/82/804933982.db2.gz JNZYDLFJFDYNGZ-BZJXQOFCSA-N -1 0 311.342 -0.334 20 0 DBADRM CNC(=O)c1cccc(CCNC(=O)C(=O)[N-]OCCOC)c1 ZINC000807357616 804936125 /nfs/dbraw/zinc/93/61/25/804936125.db2.gz GNBAAGNEMTWIPQ-UHFFFAOYSA-N -1 0 323.349 -0.601 20 0 DBADRM C/C=C(\C)C(=O)NC[C@@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001285667659 804939562 /nfs/dbraw/zinc/93/95/62/804939562.db2.gz AGULQBKPWSAPEC-VGANXODHSA-N -1 0 323.353 -0.198 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000807690175 804939631 /nfs/dbraw/zinc/93/96/31/804939631.db2.gz AQPKXSNNKGTMDQ-NSHDSACASA-N -1 0 308.338 -0.529 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000808279791 804956159 /nfs/dbraw/zinc/95/61/59/804956159.db2.gz VYTWFRVGYQUCEP-ZJUUUORDSA-N -1 0 306.384 -0.293 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cn(C)cn2)C1=O ZINC000808309900 804956942 /nfs/dbraw/zinc/95/69/42/804956942.db2.gz IUDMHAAQCMRGAK-JTQLQIEISA-N -1 0 301.328 -0.666 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccnn2C)C1=O ZINC000808310442 804957870 /nfs/dbraw/zinc/95/78/70/804957870.db2.gz QPVYQRXLQXIJGZ-JTQLQIEISA-N -1 0 301.328 -0.666 20 0 DBADRM O=C([O-])CCCCC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000808507151 804960565 /nfs/dbraw/zinc/96/05/65/804960565.db2.gz AXSOBDBWBYISAQ-UHFFFAOYSA-N -1 0 322.383 -0.590 20 0 DBADRM C[C@@H](CNC(=O)C=C1CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001285759153 804960872 /nfs/dbraw/zinc/96/08/72/804960872.db2.gz CLKOZRAFVAPTMT-QMMMGPOBSA-N -1 0 309.326 -0.580 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@H]1CCCC(=O)N1 ZINC000808998768 804967501 /nfs/dbraw/zinc/96/75/01/804967501.db2.gz ROTMXBRYXNNTRD-JGVFFNPUSA-N -1 0 306.340 -0.947 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(=O)N1 ZINC000808998770 804967793 /nfs/dbraw/zinc/96/77/93/804967793.db2.gz ROTMXBRYXNNTRD-YUMQZZPRSA-N -1 0 306.340 -0.947 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000809031206 804968469 /nfs/dbraw/zinc/96/84/69/804968469.db2.gz YIHQIDQUVVJGJM-SSDOTTSWSA-N -1 0 303.340 -0.267 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CN1CCSC1=O ZINC000809034311 804968632 /nfs/dbraw/zinc/96/86/32/804968632.db2.gz YVFFWSKVRLTFJY-UHFFFAOYSA-N -1 0 318.380 -0.298 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)o1 ZINC000809030826 804969112 /nfs/dbraw/zinc/96/91/12/804969112.db2.gz LFZBSVKZMWHWOC-UHFFFAOYSA-N -1 0 312.307 -0.461 20 0 DBADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)CS(C)(=O)=O)cc1 ZINC000809064083 804969614 /nfs/dbraw/zinc/96/96/14/804969614.db2.gz QCJYHBKQOJPDEG-UHFFFAOYSA-N -1 0 305.377 -0.014 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)[N-]OCCSC ZINC000809239700 804971502 /nfs/dbraw/zinc/97/15/02/804971502.db2.gz OMKGZTVVDUQVPZ-RKDXNWHRSA-N -1 0 303.384 -0.572 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCOCC(F)(F)C1 ZINC000809339587 804975549 /nfs/dbraw/zinc/97/55/49/804975549.db2.gz AAFJXNAKQDHEQV-UHFFFAOYSA-N -1 0 313.264 -0.435 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCc1nn(C)c2ccccc12 ZINC000809320511 804975592 /nfs/dbraw/zinc/97/55/92/804975592.db2.gz HBSJEJCSBMXMGA-UHFFFAOYSA-N -1 0 320.349 -0.074 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000809441062 804976788 /nfs/dbraw/zinc/97/67/88/804976788.db2.gz PRQHPWSISPFTFX-NXEZZACHSA-N -1 0 305.400 -0.768 20 0 DBADRM CCNC(=O)C1(CNC(=O)C(=O)[N-]OCCSC)CCC1 ZINC000809728251 804979234 /nfs/dbraw/zinc/97/92/34/804979234.db2.gz PRMWENPGIFLSJM-UHFFFAOYSA-N -1 0 317.411 -0.180 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1ncnn1-c1ccccc1 ZINC000809867156 804983206 /nfs/dbraw/zinc/98/32/06/804983206.db2.gz FHTDAXMRPTULKS-UHFFFAOYSA-N -1 0 319.321 -0.422 20 0 DBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(C)(=O)=O)c1 ZINC000810517406 804995663 /nfs/dbraw/zinc/99/56/63/804995663.db2.gz YOQJCNFGUAXKDL-UHFFFAOYSA-N -1 0 300.336 -0.570 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)[N-]S(=O)(=O)N1CCCC1)CC2 ZINC000810548301 804995757 /nfs/dbraw/zinc/99/57/57/804995757.db2.gz WHNMTDUTTQLOAM-VIFPVBQESA-N -1 0 313.383 -0.623 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C1(COC)CCOCC1 ZINC000810625225 804997176 /nfs/dbraw/zinc/99/71/76/804997176.db2.gz BGWUUBYADUFWHD-UHFFFAOYSA-N -1 0 324.399 -0.631 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000810627629 804997277 /nfs/dbraw/zinc/99/72/77/804997277.db2.gz VGAIXRMLAUUOAL-VIFPVBQESA-N -1 0 315.399 -0.377 20 0 DBADRM COCC1(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)CCOCC1 ZINC000810671256 804998194 /nfs/dbraw/zinc/99/81/94/804998194.db2.gz QWXVWDIUIDUTJP-SECBINFHSA-N -1 0 323.367 -0.563 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CCN1CCCC1=O ZINC000810828753 805000152 /nfs/dbraw/zinc/00/01/52/805000152.db2.gz ILMQBLDYBKBJRG-UHFFFAOYSA-N -1 0 316.339 -0.617 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)Cn1ccccc1=O ZINC000810828983 805000325 /nfs/dbraw/zinc/00/03/25/805000325.db2.gz VCRKKMPUMNRPQG-UHFFFAOYSA-N -1 0 312.307 -0.768 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000810831012 805000491 /nfs/dbraw/zinc/00/04/91/805000491.db2.gz JUIRKTLCIQCZRB-UHFFFAOYSA-N -1 0 312.307 -0.617 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000810830520 805000701 /nfs/dbraw/zinc/00/07/01/805000701.db2.gz SKPPUWPPLSDTFI-RXMQYKEDSA-N -1 0 304.328 -0.715 20 0 DBADRM O=C([N-]S(=O)(=O)Cc1ccccn1)c1cc2n(n1)CCO2 ZINC000810804191 805000916 /nfs/dbraw/zinc/00/09/16/805000916.db2.gz KHDSZGTWSQPLMO-UHFFFAOYSA-N -1 0 308.319 -0.070 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CCCCC(N)=O ZINC000811139492 805004783 /nfs/dbraw/zinc/00/47/83/805004783.db2.gz OPYFMAUCTHROKP-UHFFFAOYSA-N -1 0 322.383 -0.323 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCNC(=O)C1 ZINC000811143573 805005127 /nfs/dbraw/zinc/00/51/27/805005127.db2.gz WNMURGRIBZWLDZ-MRVPVSSYSA-N -1 0 320.367 -0.842 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)C1(COC)CC1 ZINC000811156415 805005737 /nfs/dbraw/zinc/00/57/37/805005737.db2.gz AMXZNOPPYPARDC-SNVBAGLBSA-N -1 0 306.384 -0.668 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@](C)(O)Cn1ccccc1=O ZINC000811562669 805011589 /nfs/dbraw/zinc/01/15/89/805011589.db2.gz JGJYWDOAFXPOOL-CQSZACIVSA-N -1 0 312.322 -0.400 20 0 DBADRM CNS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000812361996 805017054 /nfs/dbraw/zinc/01/70/54/805017054.db2.gz NYVGCCRZJHLDHW-UHFFFAOYSA-N -1 0 312.307 -0.885 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[N-]OC/C=C\Cl ZINC000812408650 805018863 /nfs/dbraw/zinc/01/88/63/805018863.db2.gz RMGSMQGCDPHODD-TUUFMJSCSA-N -1 0 322.774 -0.113 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1ncn(C(C)(C)C)n1 ZINC000813085677 805025212 /nfs/dbraw/zinc/02/52/12/805025212.db2.gz DZQYHEDSYSGWBH-UHFFFAOYSA-N -1 0 312.355 -0.115 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@](C)(OC)C1CC1 ZINC000813075943 805025392 /nfs/dbraw/zinc/02/53/92/805025392.db2.gz HTDPWLXEVPQGOA-GFCCVEGCSA-N -1 0 309.384 -0.090 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CCc1ncccn1 ZINC000813096497 805026023 /nfs/dbraw/zinc/02/60/23/805026023.db2.gz NVGOYDQGCRFPGD-UHFFFAOYSA-N -1 0 311.323 -0.207 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C2(C)CCC2)CC1 ZINC000813945346 805035553 /nfs/dbraw/zinc/03/55/53/805035553.db2.gz HMLHNGPATMOSQM-UHFFFAOYSA-N -1 0 303.384 -0.298 20 0 DBADRM CCC/C=C\C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813945328 805035874 /nfs/dbraw/zinc/03/58/74/805035874.db2.gz GPTNTWDYLAOYFO-WAYWQWQTSA-N -1 0 303.384 -0.132 20 0 DBADRM CO[C@H](C)CCC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813945515 805036087 /nfs/dbraw/zinc/03/60/87/805036087.db2.gz KWXWLJIJUDSSRA-SNVBAGLBSA-N -1 0 321.399 -0.673 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C2=COCCC2)CC1 ZINC000813949215 805036410 /nfs/dbraw/zinc/03/64/10/805036410.db2.gz QSCODSWNZPSAAR-UHFFFAOYSA-N -1 0 317.367 -0.794 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CC2CCC2)CC1 ZINC000813949002 805036607 /nfs/dbraw/zinc/03/66/07/805036607.db2.gz MTTFGTXOKFJBJF-UHFFFAOYSA-N -1 0 303.384 -0.298 20 0 DBADRM CCC[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813949945 805036827 /nfs/dbraw/zinc/03/68/27/805036827.db2.gz GJRJLDOHELOACD-SNVBAGLBSA-N -1 0 305.400 -0.052 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H](F)C(C)C)CC1 ZINC000813949758 805037192 /nfs/dbraw/zinc/03/71/92/805037192.db2.gz CLAVXCSNZCWMHD-JTQLQIEISA-N -1 0 309.363 -0.494 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)cc2)cnn1C ZINC000813953686 805037868 /nfs/dbraw/zinc/03/78/68/805037868.db2.gz ZOYWCLZIXGTDJH-UHFFFAOYSA-N -1 0 322.346 -0.054 20 0 DBADRM COCc1nc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2C)co1 ZINC000813953994 805038061 /nfs/dbraw/zinc/03/80/61/805038061.db2.gz JXEIPWVYJKZJRB-UHFFFAOYSA-N -1 0 314.323 -0.018 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000813954806 805038072 /nfs/dbraw/zinc/03/80/72/805038072.db2.gz QBLPXIRGETXAJJ-UHFFFAOYSA-N -1 0 316.383 -0.160 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2C)nn1 ZINC000813950881 805038092 /nfs/dbraw/zinc/03/80/92/805038092.db2.gz KLZYNPXSCXYDBP-UHFFFAOYSA-N -1 0 312.355 -0.151 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC000813988137 805038440 /nfs/dbraw/zinc/03/84/40/805038440.db2.gz DNHPESWQDCRNKE-UHFFFAOYSA-N -1 0 324.362 -0.215 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)/C=C\c1cnn(C)c1 ZINC000813989940 805038602 /nfs/dbraw/zinc/03/86/02/805038602.db2.gz BGJMDSQJMPWWMY-PLNGDYQASA-N -1 0 309.351 -0.020 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000815275654 805053591 /nfs/dbraw/zinc/05/35/91/805053591.db2.gz VSDGMPTWVPLYLA-UHFFFAOYSA-N -1 0 313.295 -0.782 20 0 DBADRM O=C(CN1c2ccccc2OC(F)(F)C1=O)NCc1nnn[n-]1 ZINC000815558226 805057740 /nfs/dbraw/zinc/05/77/40/805057740.db2.gz VTPYSBRFUQCKOA-UHFFFAOYSA-N -1 0 324.247 -0.166 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000815927188 805061263 /nfs/dbraw/zinc/06/12/63/805061263.db2.gz VTPHEHUDCXNNSD-UHFFFAOYSA-N -1 0 318.746 -0.196 20 0 DBADRM Cn1cnnc1COCC(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000815920911 805061506 /nfs/dbraw/zinc/06/15/06/805061506.db2.gz SAJMHEUVVFMASI-UHFFFAOYSA-N -1 0 317.371 -0.821 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000815926449 805061930 /nfs/dbraw/zinc/06/19/30/805061930.db2.gz PONWCFQVFUJBJV-JTQLQIEISA-N -1 0 316.383 -0.243 20 0 DBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)N2CCOCC2)c(Cl)n1 ZINC000815962827 805062299 /nfs/dbraw/zinc/06/22/99/805062299.db2.gz CJPUTBXZAUPLJM-UHFFFAOYSA-N -1 0 322.774 -0.691 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000815957209 805062733 /nfs/dbraw/zinc/06/27/33/805062733.db2.gz YDCJRHPAHONCCG-JTQLQIEISA-N -1 0 316.383 -0.242 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)N(C)CCOC)n1 ZINC000815979307 805063206 /nfs/dbraw/zinc/06/32/06/805063206.db2.gz ZJXXMBVIMQHTAK-UHFFFAOYSA-N -1 0 305.360 -0.841 20 0 DBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)CC2CCC2)c1=O ZINC000815994230 805063418 /nfs/dbraw/zinc/06/34/18/805063418.db2.gz SDMRWYLTARJYOB-UHFFFAOYSA-N -1 0 302.356 -0.782 20 0 DBADRM O=C(CN1CCCCC1=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000815997873 805063471 /nfs/dbraw/zinc/06/34/71/805063471.db2.gz ZELMNIHGFUTKCY-SNVBAGLBSA-N -1 0 304.368 -0.519 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cnn(CC)n2)nc1C ZINC000816001777 805063828 /nfs/dbraw/zinc/06/38/28/805063828.db2.gz CIUCPCBGYUJJJF-UHFFFAOYSA-N -1 0 312.355 -0.058 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccnn2C)c[nH]1 ZINC000816021370 805064058 /nfs/dbraw/zinc/06/40/58/805064058.db2.gz MDBDOHVNPPLNME-UHFFFAOYSA-N -1 0 312.307 -0.347 20 0 DBADRM CO[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000816035029 805064507 /nfs/dbraw/zinc/06/45/07/805064507.db2.gz ZLEYEQAOVMIMFS-IUCAKERBSA-N -1 0 302.356 -0.175 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000816034299 805064707 /nfs/dbraw/zinc/06/47/07/805064707.db2.gz YNAAYZCKDHKRBG-UHFFFAOYSA-N -1 0 310.339 -0.441 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)n1 ZINC000816033768 805064865 /nfs/dbraw/zinc/06/48/65/805064865.db2.gz BILZRCDEPVCXRT-UHFFFAOYSA-N -1 0 310.339 -0.441 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)C2(C)CC2)nnn1-c1ccn(C)n1 ZINC000816084276 805065202 /nfs/dbraw/zinc/06/52/02/805065202.db2.gz XXYXCSOSQQZOCK-UHFFFAOYSA-N -1 0 324.366 -0.079 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2cnn(C)c2C)n1 ZINC000816094058 805065883 /nfs/dbraw/zinc/06/58/83/805065883.db2.gz JBZWPOZKTXTUOF-UHFFFAOYSA-N -1 0 312.355 -0.233 20 0 DBADRM CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816201410 805066595 /nfs/dbraw/zinc/06/65/95/805066595.db2.gz BKKZXBLSKMPLCT-IUCAKERBSA-N -1 0 315.351 -0.105 20 0 DBADRM CC1CCN(C(=O)C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CC1 ZINC000816492145 805071035 /nfs/dbraw/zinc/07/10/35/805071035.db2.gz JKURCBYAOMVWTP-UHFFFAOYSA-N -1 0 322.369 -0.732 20 0 DBADRM COc1cccc(C(=O)NCC(=O)Nn2c(=O)[n-][nH]c2=O)c1 ZINC000816730733 805078538 /nfs/dbraw/zinc/07/85/38/805078538.db2.gz NBCSQOHBFCWGGV-UHFFFAOYSA-N -1 0 307.266 -0.802 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000816731232 805078592 /nfs/dbraw/zinc/07/85/92/805078592.db2.gz HGKRZMJHIOUFQY-SECBINFHSA-N -1 0 321.268 -0.048 20 0 DBADRM CCS(=O)(=O)c1cccc(C(=O)Nn2c(=O)[n-][nH]c2=O)c1 ZINC000816731414 805078692 /nfs/dbraw/zinc/07/86/92/805078692.db2.gz QFBRXRXNICCRAP-UHFFFAOYSA-N -1 0 312.307 -0.133 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000816731233 805078809 /nfs/dbraw/zinc/07/88/09/805078809.db2.gz HGKRZMJHIOUFQY-VIFPVBQESA-N -1 0 321.268 -0.048 20 0 DBADRM O=C(NC1CC1)c1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1 ZINC000816732420 805079423 /nfs/dbraw/zinc/07/94/23/805079423.db2.gz GDSFZPBHDNLYEB-UHFFFAOYSA-N -1 0 303.278 -0.035 20 0 DBADRM Cn1nc(CC(=O)Nn2c(=O)[n-][nH]c2=O)c2ccccc2c1=O ZINC000816733305 805079665 /nfs/dbraw/zinc/07/96/65/805079665.db2.gz QBTHTDQPBHNCIW-UHFFFAOYSA-N -1 0 316.277 -0.751 20 0 DBADRM O=C(CNC(=O)c1ccc(F)c(F)c1)Nn1c(=O)[n-][nH]c1=O ZINC000816733807 805079912 /nfs/dbraw/zinc/07/99/12/805079912.db2.gz MPCJMJHCDWKCRT-UHFFFAOYSA-N -1 0 313.220 -0.532 20 0 DBADRM O=C(CNC(=O)OCc1ccccc1)Nn1c(=O)[n-][nH]c1=O ZINC000816733025 805079951 /nfs/dbraw/zinc/07/99/51/805079951.db2.gz GJYIUCAVFUDHQF-UHFFFAOYSA-N -1 0 307.266 -0.314 20 0 DBADRM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816732378 805080046 /nfs/dbraw/zinc/08/00/46/805080046.db2.gz DTQIUWAYUCLFRD-NKWVEPMBSA-N -1 0 315.355 -0.293 20 0 DBADRM CCn1ncn(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1=O ZINC000816735772 805080646 /nfs/dbraw/zinc/08/06/46/805080646.db2.gz VTIZVTOHFAAOJX-ZETCQYMHSA-N -1 0 323.275 -0.162 20 0 DBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nn1c(=O)[n-][nH]c1=O ZINC000816734426 805080952 /nfs/dbraw/zinc/08/09/52/805080952.db2.gz OCEMSTLEHGMGJW-UHFFFAOYSA-N -1 0 324.297 -0.986 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC(C)(CO)CO ZINC000816760585 805083427 /nfs/dbraw/zinc/08/34/27/805083427.db2.gz ZBEXQJMXMVMCAF-QMMMGPOBSA-N -1 0 314.304 -0.203 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000817110539 805091035 /nfs/dbraw/zinc/09/10/35/805091035.db2.gz HDYZQUKFOFJWOJ-JTQLQIEISA-N -1 0 314.338 -0.231 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC[C@@H]1COC2(CCCCC2)O1 ZINC000817110540 805091211 /nfs/dbraw/zinc/09/12/11/805091211.db2.gz HDYZQUKFOFJWOJ-SNVBAGLBSA-N -1 0 314.338 -0.231 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[N-]OCC1CC1 ZINC000817373724 805094622 /nfs/dbraw/zinc/09/46/22/805094622.db2.gz XLEMYWCVMKTXHE-MRVPVSSYSA-N -1 0 302.356 -0.455 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H](COC)[C@H]1CCCOC1 ZINC000884448056 807049910 /nfs/dbraw/zinc/04/99/10/807049910.db2.gz QHMVVHXXOQYTKW-QWRGUYRKSA-N -1 0 303.359 -0.205 20 0 DBADRM Cn1c(S)nnc1CCCNC(=O)c1cnc([O-])n(C)c1=O ZINC000818228227 805110188 /nfs/dbraw/zinc/11/01/88/805110188.db2.gz KWZAWGXWWOBBRD-UHFFFAOYSA-N -1 0 324.366 -0.734 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)COC[C@@H]3CCCO3)C2)nn1 ZINC000818316445 805110843 /nfs/dbraw/zinc/11/08/43/805110843.db2.gz DXYDDLQGOKWHJI-MNOVXSKESA-N -1 0 324.337 -0.055 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CCC[C@@]2(COC)C(=O)[O-])C1 ZINC000818313088 805111361 /nfs/dbraw/zinc/11/13/61/805111361.db2.gz WXDFDPIBTSPEJT-SMDDNHRTSA-N -1 0 300.355 -0.201 20 0 DBADRM CN(Cc1ccsc1)C(=O)C(=O)NCCOCC(=O)[O-] ZINC000884473998 807051217 /nfs/dbraw/zinc/05/12/17/807051217.db2.gz NMLGVGUAJLNXQR-UHFFFAOYSA-N -1 0 300.336 -0.076 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCNC[C@@H]1C(F)F ZINC000818585738 805113873 /nfs/dbraw/zinc/11/38/73/805113873.db2.gz NZNGIGUWANNXRE-MRVPVSSYSA-N -1 0 312.280 -0.863 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCCS2)CCO1 ZINC000884482148 807052024 /nfs/dbraw/zinc/05/20/24/807052024.db2.gz WWDRVVOUNIZTCX-NXEZZACHSA-N -1 0 316.379 -0.300 20 0 DBADRM CN(C)c1cccc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC000819094226 805120999 /nfs/dbraw/zinc/12/09/99/805120999.db2.gz ILRPWOAGVPNSEC-ZDUSSCGKSA-N -1 0 314.363 -0.037 20 0 DBADRM Cc1nc(C)c(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)s1 ZINC000819094207 805121061 /nfs/dbraw/zinc/12/10/61/805121061.db2.gz BQXNMCDGNVFZDL-SNVBAGLBSA-N -1 0 306.365 -0.030 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2cccc3c2OCO3)C1 ZINC000819094099 805121417 /nfs/dbraw/zinc/12/14/17/805121417.db2.gz HHPQCMLVFUDVLF-LBPRGKRZSA-N -1 0 315.303 -0.375 20 0 DBADRM COc1cncc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC000819094305 805121648 /nfs/dbraw/zinc/12/16/48/805121648.db2.gz JMMFSPLGSLKMJR-NSHDSACASA-N -1 0 302.308 -0.700 20 0 DBADRM O=C([O-])C[C@]1(NS(=O)(=O)N2CCOCC2)CCCOC1 ZINC000819107248 805122958 /nfs/dbraw/zinc/12/29/58/805122958.db2.gz FYFVGKBWGYWSBI-LLVKDONJSA-N -1 0 308.356 -0.823 20 0 DBADRM O=C([O-])CCNC(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000819498856 805128525 /nfs/dbraw/zinc/12/85/25/805128525.db2.gz KESBMBRDAUUMRV-UHFFFAOYSA-N -1 0 311.342 -0.189 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)[N-]OCCOC(C)C)C1=O ZINC000820014097 805139329 /nfs/dbraw/zinc/13/93/29/805139329.db2.gz MUILFVQENPGKDD-NSHDSACASA-N -1 0 316.354 -0.129 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)[N-]OCCOC(C)C)C1=O ZINC000820014096 805139676 /nfs/dbraw/zinc/13/96/76/805139676.db2.gz MUILFVQENPGKDD-LLVKDONJSA-N -1 0 316.354 -0.129 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1cc2c(cn1)OCCO2 ZINC000820069018 805142821 /nfs/dbraw/zinc/14/28/21/805142821.db2.gz XBFRWIDXCKXXAQ-MRVPVSSYSA-N -1 0 314.319 -0.299 20 0 DBADRM O=C(Cn1cnc(-c2ccccc2)n1)Nn1c(=O)[n-][nH]c1=O ZINC000820292160 805153071 /nfs/dbraw/zinc/15/30/71/805153071.db2.gz QFQBTRIJWFTILN-UHFFFAOYSA-N -1 0 301.266 -0.282 20 0 DBADRM C[C@@H](N(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C1(C)CC1 ZINC000820306897 805153404 /nfs/dbraw/zinc/15/34/04/805153404.db2.gz GZGFUNFRUWEISK-MRVPVSSYSA-N -1 0 319.369 -0.111 20 0 DBADRM C[C@@H]1Oc2c(cccc2C(=O)Nn2c(=O)[n-][nH]c2=O)NC1=O ZINC000820291230 805153484 /nfs/dbraw/zinc/15/34/84/805153484.db2.gz CLJFRTMCEHPKKL-YFKPBYRVSA-N -1 0 305.250 -0.207 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)[O-])C(=O)N(C)C ZINC000820912711 805170040 /nfs/dbraw/zinc/17/00/40/805170040.db2.gz RNRSIYGPNUPYQS-MRVPVSSYSA-N -1 0 307.306 -0.084 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2cc3c(cn2)OCCO3)c1 ZINC000821366187 805181166 /nfs/dbraw/zinc/18/11/66/805181166.db2.gz ZHJYNTJFQRWJQP-UHFFFAOYSA-N -1 0 324.318 -0.295 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCO[C@H]([C@H](C)O)C2)cc1=O ZINC000822847780 805215112 /nfs/dbraw/zinc/21/51/12/805215112.db2.gz QGGBAZNJRIWASO-AAEUAGOBSA-N -1 0 311.382 -0.017 20 0 DBADRM CCN1CCN(CC(=O)[N-]OCc2cccc(C)n2)C(=O)C1=O ZINC000823112123 805224642 /nfs/dbraw/zinc/22/46/42/805224642.db2.gz FINZFGXEUOHHFS-UHFFFAOYSA-N -1 0 320.349 -0.371 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCCOC1CCCC1 ZINC000823131790 805225315 /nfs/dbraw/zinc/22/53/15/805225315.db2.gz OVVNUGJFMZJZGT-UHFFFAOYSA-N -1 0 320.357 -0.076 20 0 DBADRM CN(C)CCO[N-]C(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000823254797 805227653 /nfs/dbraw/zinc/22/76/53/805227653.db2.gz DECQCFSKIREEIF-YUMQZZPRSA-N -1 0 318.317 -0.181 20 0 DBADRM CCN(OC)C(=O)CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC000823603352 805235097 /nfs/dbraw/zinc/23/50/97/805235097.db2.gz ZEUOVHGTPIUDSB-UHFFFAOYSA-N -1 0 312.370 -0.099 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000824004496 805247009 /nfs/dbraw/zinc/24/70/09/805247009.db2.gz XGPJELPQOVFNKS-NEPJUHHUSA-N -1 0 315.370 -0.950 20 0 DBADRM CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)COC1 ZINC000824783328 805264309 /nfs/dbraw/zinc/26/43/09/805264309.db2.gz FPXRLQVGISUMRT-UHFFFAOYSA-N -1 0 323.334 -0.292 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCO[C@H](CN(C)c2cccnn2)C1 ZINC000825177149 805273259 /nfs/dbraw/zinc/27/32/59/805273259.db2.gz HGYBAAVCCLDIHY-WDEREUQCSA-N -1 0 323.353 -0.204 20 0 DBADRM CCCNC(=O)Cn1ncc(C(=O)OCC)c1-c1nn[nH]n1 ZINC000825332128 805277183 /nfs/dbraw/zinc/27/71/83/805277183.db2.gz DYXKSFIBHVPKMS-UHFFFAOYSA-N -1 0 307.314 -0.234 20 0 DBADRM CCN1CCN(C(=O)Cc2noc(C)c2-c2nn[nH]n2)CC1 ZINC000825460436 805280820 /nfs/dbraw/zinc/28/08/20/805280820.db2.gz XCHONLYDDFXCEN-UHFFFAOYSA-N -1 0 305.342 -0.130 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825605618 805283237 /nfs/dbraw/zinc/28/32/37/805283237.db2.gz YXTHEJYEGUWQGH-UHFFFAOYSA-N -1 0 314.327 -0.709 20 0 DBADRM CC[C@H](C)C(=O)NCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001292518370 805283700 /nfs/dbraw/zinc/28/37/00/805283700.db2.gz KADYJENKPUTJMU-QMMMGPOBSA-N -1 0 311.342 -0.506 20 0 DBADRM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000825864803 805287400 /nfs/dbraw/zinc/28/74/00/805287400.db2.gz AOCSVYANYBKJOR-OUAUKWLOSA-N -1 0 313.354 -0.132 20 0 DBADRM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000825864802 805287953 /nfs/dbraw/zinc/28/79/53/805287953.db2.gz AOCSVYANYBKJOR-MXWKQRLJSA-N -1 0 313.354 -0.132 20 0 DBADRM COC(=O)[C@H](O)C1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC000826116898 805293680 /nfs/dbraw/zinc/29/36/80/805293680.db2.gz FHGJWOCJKQPBKJ-SNVBAGLBSA-N -1 0 319.325 -0.593 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001292571241 805296781 /nfs/dbraw/zinc/29/67/81/805296781.db2.gz WLPTWYNWYJVOPK-HTQZYQBOSA-N -1 0 310.310 -0.921 20 0 DBADRM CC1CC(C(=O)NCCNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001292630829 805309180 /nfs/dbraw/zinc/30/91/80/805309180.db2.gz YJUCINGHXKOEJD-UHFFFAOYSA-N -1 0 323.353 -0.506 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H](CO)C1CCCCC1 ZINC000826425269 805310733 /nfs/dbraw/zinc/31/07/33/805310733.db2.gz WNQXVFYNSYTBDN-SNVBAGLBSA-N -1 0 320.357 -0.484 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@@H]2CCOC[C@H]2C)c1[O-] ZINC001292642910 805311769 /nfs/dbraw/zinc/31/17/69/805311769.db2.gz COQYYVHGQWQYNS-PSASIEDQSA-N -1 0 310.354 -0.058 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@@H]2CCOC[C@@H]2C)c1[O-] ZINC001292642912 805311960 /nfs/dbraw/zinc/31/19/60/805311960.db2.gz COQYYVHGQWQYNS-WCBMZHEXSA-N -1 0 310.354 -0.058 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)Cc2cncnc2)c1[O-] ZINC001292643467 805312234 /nfs/dbraw/zinc/31/22/34/805312234.db2.gz IWMOQINEIVKSSQ-UHFFFAOYSA-N -1 0 304.310 -0.698 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826922139 805322817 /nfs/dbraw/zinc/32/28/17/805322817.db2.gz VEZLGGLSEOUILZ-LLVKDONJSA-N -1 0 314.386 -0.345 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccn(C)n2)C1=O ZINC000827523761 805340943 /nfs/dbraw/zinc/34/09/43/805340943.db2.gz PKFYWLWPCBHILB-SNVBAGLBSA-N -1 0 301.328 -0.666 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000827577141 805343605 /nfs/dbraw/zinc/34/36/05/805343605.db2.gz ZFAWOPDTOGXYOU-RRMDADRESA-N -1 0 313.375 -0.243 20 0 DBADRM O=C(NCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1n[nH]c(=O)[n-]c1=O ZINC001292916671 805357904 /nfs/dbraw/zinc/35/79/04/805357904.db2.gz MUJULMMXZKSLIG-IWSPIJDZSA-N -1 0 321.337 -0.435 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)[C@@H]1CC[C@@H](F)C1 ZINC001293029207 805375545 /nfs/dbraw/zinc/37/55/45/805375545.db2.gz XWUBVRDCWTYOLL-HTQZYQBOSA-N -1 0 315.305 -0.940 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)C2(NC(=O)[O-])CC2)C1 ZINC000828573472 805377723 /nfs/dbraw/zinc/37/77/23/805377723.db2.gz RDXZOFNYAOJAMU-QMMMGPOBSA-N -1 0 305.356 -0.673 20 0 DBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000828645841 805380093 /nfs/dbraw/zinc/38/00/93/805380093.db2.gz XUOZLQLYAWAHFB-ZDUSSCGKSA-N -1 0 311.342 -0.261 20 0 DBADRM CCC(=O)NCCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001293088796 805382804 /nfs/dbraw/zinc/38/28/04/805382804.db2.gz HERICXMMOPCNLC-UHFFFAOYSA-N -1 0 306.326 -0.896 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000828949256 805387455 /nfs/dbraw/zinc/38/74/55/805387455.db2.gz AHOVGLCWUKTEIW-UHFFFAOYSA-N -1 0 321.376 -0.363 20 0 DBADRM CCCC(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000829177107 805390093 /nfs/dbraw/zinc/39/00/93/805390093.db2.gz HYEBQJDCYLSTMM-VHSXEESVSA-N -1 0 314.338 -0.090 20 0 DBADRM CS[C@@H](C)C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001293163195 805391816 /nfs/dbraw/zinc/39/18/16/805391816.db2.gz SCSFXFMHXYWNLZ-LURJTMIESA-N -1 0 315.355 -0.730 20 0 DBADRM CC[S@](=O)CCNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC000829293211 805393486 /nfs/dbraw/zinc/39/34/86/805393486.db2.gz IKHNKHMYFZAFSW-SFHVURJKSA-N -1 0 306.365 -0.173 20 0 DBADRM CC[S@@](=O)CCNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC000829293210 805393561 /nfs/dbraw/zinc/39/35/61/805393561.db2.gz IKHNKHMYFZAFSW-GOSISDBHSA-N -1 0 306.365 -0.173 20 0 DBADRM CCOC(=O)C1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000829837362 805402653 /nfs/dbraw/zinc/40/26/53/805402653.db2.gz FELCBGMIXOPEDJ-UHFFFAOYSA-N -1 0 310.310 -0.222 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCCOC2)n1 ZINC000830099097 805420400 /nfs/dbraw/zinc/42/04/00/805420400.db2.gz YAEGJJCMJWPDLK-NSHDSACASA-N -1 0 303.340 -0.278 20 0 DBADRM O=C([O-])C[C@@]1(NS(=O)(=O)C[C@H]2CCCOC2)CCOC1 ZINC000830098197 805420453 /nfs/dbraw/zinc/42/04/53/805420453.db2.gz PVJPGSJKNGQBBM-JQWIXIFHSA-N -1 0 307.368 -0.034 20 0 DBADRM C/C=C(/C)C(=O)N(C)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001293687281 805440743 /nfs/dbraw/zinc/44/07/43/805440743.db2.gz XQDGIZLZQDKVPZ-FWAPLPHYSA-N -1 0 323.353 -0.285 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)Cn2cnnn2)C1 ZINC000830840017 805440932 /nfs/dbraw/zinc/44/09/32/805440932.db2.gz FKVAFRVJORNSJJ-SECBINFHSA-N -1 0 306.248 -0.657 20 0 DBADRM Cn1[n-]c(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)cc1=O ZINC000831122105 805447407 /nfs/dbraw/zinc/44/74/07/805447407.db2.gz VILYHWIJRPZXTB-UHFFFAOYSA-N -1 0 306.244 -0.124 20 0 DBADRM CN(CCCNC(=O)C(F)F)C(=O)c1cnc([O-])n(C)c1=O ZINC001293906811 805449705 /nfs/dbraw/zinc/44/97/05/805449705.db2.gz DNDBNASRIYWSCM-UHFFFAOYSA-N -1 0 318.280 -0.671 20 0 DBADRM COc1n[nH]c(NC(=O)[C@H](C)n2cnc3c2ncnc3N)n1 ZINC000831566989 805456671 /nfs/dbraw/zinc/45/66/71/805456671.db2.gz XTFZPGQAZYTZQA-YFKPBYRVSA-N -1 0 303.286 -0.265 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NC[C@H](O)C1CCOCC1 ZINC000831621436 805459195 /nfs/dbraw/zinc/45/91/95/805459195.db2.gz NXCSSWRYAOFHMR-UWVGGRQHSA-N -1 0 304.368 -0.057 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NC[C@H](O)C1CCOCC1 ZINC000831622483 805459517 /nfs/dbraw/zinc/45/95/17/805459517.db2.gz VILHQHAEKXFXEF-VWYCJHECSA-N -1 0 302.327 -0.997 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@H]2Cn2cncn2)C1 ZINC000832049497 805472281 /nfs/dbraw/zinc/47/22/81/805472281.db2.gz GFPWPXPBEIPLCE-QWRGUYRKSA-N -1 0 309.326 -0.352 20 0 DBADRM O=C([O-])NCCCOC1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000832621748 805485234 /nfs/dbraw/zinc/48/52/34/805485234.db2.gz VHSZQLLSWOFYIB-UHFFFAOYSA-N -1 0 313.354 -0.070 20 0 DBADRM CCC(=O)NCCCN(CC)C(=O)c1cnc([O-])n(C)c1=O ZINC001294368270 805485694 /nfs/dbraw/zinc/48/56/94/805485694.db2.gz OPTMGPVNEZXTFI-UHFFFAOYSA-N -1 0 310.354 -0.136 20 0 DBADRM O=C([O-])NCc1cccc(NC(=O)NCC(=O)NCCO)c1 ZINC000832724604 805489492 /nfs/dbraw/zinc/48/94/92/805489492.db2.gz HEWMYGGELNHUSR-UHFFFAOYSA-N -1 0 310.310 -0.316 20 0 DBADRM CCC(CC)[C@H](C(=O)NCC(=O)[N-]OC)N1CCOCC1 ZINC000832766506 805490531 /nfs/dbraw/zinc/49/05/31/805490531.db2.gz KNMXIJHKGIBNGJ-CYBMUJFWSA-N -1 0 301.387 -0.083 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C ZINC000832762271 805490544 /nfs/dbraw/zinc/49/05/44/805490544.db2.gz MKVGXEPNEWDOBV-QMMMGPOBSA-N -1 0 306.322 -0.129 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CC(c2cccc(OC)c2)=NO1 ZINC000832753068 805490821 /nfs/dbraw/zinc/49/08/21/805490821.db2.gz HRQZZDUSZRXBDK-LBPRGKRZSA-N -1 0 307.306 -0.018 20 0 DBADRM CO[N-]C(=O)CNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000832769599 805491480 /nfs/dbraw/zinc/49/14/80/805491480.db2.gz KXRTUCFLUIYJFM-UHFFFAOYSA-N -1 0 320.393 -0.402 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cc(N2CCNC2=O)ccc1F ZINC000832766875 805491884 /nfs/dbraw/zinc/49/18/84/805491884.db2.gz QGTNPKRLPKRQOC-UHFFFAOYSA-N -1 0 310.285 -0.237 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1CC(=O)Nc1nc(C2CC2)no1 ZINC000833207137 805493805 /nfs/dbraw/zinc/49/38/05/805493805.db2.gz JLXKKWHMPLQPTE-MRVPVSSYSA-N -1 0 323.309 -0.839 20 0 DBADRM C[C@@H](CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000833517467 805495342 /nfs/dbraw/zinc/49/53/42/805495342.db2.gz OTGOAVVIECGJHQ-JGVFFNPUSA-N -1 0 317.342 -0.408 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(C[C@H]2CC(C(=O)[O-])=NO2)c1 ZINC000833690870 805495349 /nfs/dbraw/zinc/49/53/49/805495349.db2.gz IDOUZOQJNOSAKT-SSDOTTSWSA-N -1 0 302.312 -0.637 20 0 DBADRM O=C([O-])N1CC(CNC(=O)N[C@@H](CO)C2CCOCC2)C1 ZINC000834034470 805496334 /nfs/dbraw/zinc/49/63/34/805496334.db2.gz UQXTUHFQSLIDOH-NSHDSACASA-N -1 0 301.343 -0.317 20 0 DBADRM CNC(=O)CC1CCN(CN2C[C@@H](NC(=O)[O-])CC2=O)CC1 ZINC000833875281 805496429 /nfs/dbraw/zinc/49/64/29/805496429.db2.gz NCKODMZCXKILLK-NSHDSACASA-N -1 0 312.370 -0.340 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCC(Cn3ccnn3)CC2)C1 ZINC000834159162 805496558 /nfs/dbraw/zinc/49/65/58/805496558.db2.gz XYKUYVONCITSLU-LBPRGKRZSA-N -1 0 322.369 -0.184 20 0 DBADRM CC1(C)CCC[C@](O)(C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC000834324554 805497281 /nfs/dbraw/zinc/49/72/81/805497281.db2.gz BFBYDIZHSDYANH-CYBMUJFWSA-N -1 0 320.411 -0.100 20 0 DBADRM CC(C)(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1cccn1 ZINC000834324758 805497377 /nfs/dbraw/zinc/49/73/77/805497377.db2.gz IANQAFKDEVHXCW-UHFFFAOYSA-N -1 0 302.356 -0.800 20 0 DBADRM CC(C)(O)CO[N-]C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 ZINC000834628726 805513371 /nfs/dbraw/zinc/51/33/71/805513371.db2.gz YBNBLKCMYKHCRG-VIFPVBQESA-N -1 0 315.301 -0.870 20 0 DBADRM COC(=O)[C@]12CN(C(=O)c3cc(=O)n(C)[n-]3)C[C@H]1COCC2 ZINC000834847054 805518421 /nfs/dbraw/zinc/51/84/21/805518421.db2.gz AOQDRGXMHFAJTQ-LKFCYVNXSA-N -1 0 309.322 -0.223 20 0 DBADRM CC(=O)c1cn(CC(=O)[N-]S(=O)(=O)N2CCCCC2)nn1 ZINC000835098234 805519456 /nfs/dbraw/zinc/51/94/56/805519456.db2.gz NXLIAGIWBQQTPZ-UHFFFAOYSA-N -1 0 315.355 -0.672 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1cn(-c2cccnc2)nn1 ZINC000835096512 805519805 /nfs/dbraw/zinc/51/98/05/805519805.db2.gz DEINBCDHPFKYII-UHFFFAOYSA-N -1 0 322.350 -0.267 20 0 DBADRM CC/C(C)=C\C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000835463063 805520530 /nfs/dbraw/zinc/52/05/30/805520530.db2.gz DNKBUQXYYRFOLY-KTKRTIGZSA-N -1 0 303.384 -0.132 20 0 DBADRM CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000835532072 805520644 /nfs/dbraw/zinc/52/06/44/805520644.db2.gz RPPHDBXCLPIBHE-SNVBAGLBSA-N -1 0 318.395 -0.130 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)C(C)(C)C ZINC000835219247 805520777 /nfs/dbraw/zinc/52/07/77/805520777.db2.gz QWIGXJLZESGQKR-SNVBAGLBSA-N -1 0 323.415 -0.524 20 0 DBADRM CC1(C(=O)[N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)COC1 ZINC000836028236 805522961 /nfs/dbraw/zinc/52/29/61/805522961.db2.gz OLXNTWCOWWFDIQ-UHFFFAOYSA-N -1 0 323.334 -0.496 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1c[nH]nc1Cl)C(=O)[O-] ZINC000837289124 805532199 /nfs/dbraw/zinc/53/21/99/805532199.db2.gz UUZYPJVABOBWIF-BYPYZUCNSA-N -1 0 311.703 -0.642 20 0 DBADRM O=C([O-])[C@H](F)CNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000837295255 805532927 /nfs/dbraw/zinc/53/29/27/805532927.db2.gz SIEGROSYQLYEEG-SNVBAGLBSA-N -1 0 322.358 -0.271 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(OC)c(Cl)n1 ZINC000838801633 805545461 /nfs/dbraw/zinc/54/54/61/805545461.db2.gz MRBOTMWYZGXHRT-UHFFFAOYSA-N -1 0 322.726 -0.024 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC000838798298 805545521 /nfs/dbraw/zinc/54/55/21/805545521.db2.gz RGBXQOPRQKFKHH-JTQLQIEISA-N -1 0 313.331 -0.082 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC000838804291 805545604 /nfs/dbraw/zinc/54/56/04/805545604.db2.gz RYCLMIHALPTDQX-VIFPVBQESA-N -1 0 320.367 -0.890 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)OC)C1 ZINC000838800685 805546053 /nfs/dbraw/zinc/54/60/53/805546053.db2.gz JXTOVCHPGTZZAS-DTWKUNHWSA-N -1 0 321.351 -0.415 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000838813835 805546779 /nfs/dbraw/zinc/54/67/79/805546779.db2.gz ADGOGEKDHWGTDA-IVZWLZJFSA-N -1 0 304.368 -0.459 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]1CCCCO1 ZINC000838805760 805546874 /nfs/dbraw/zinc/54/68/74/805546874.db2.gz CFVDIBAFTCGQSA-UWVGGRQHSA-N -1 0 323.367 -0.420 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000838813834 805547257 /nfs/dbraw/zinc/54/72/57/805547257.db2.gz ADGOGEKDHWGTDA-AEJSXWLSSA-N -1 0 304.368 -0.459 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(OC)n1 ZINC000838845663 805547312 /nfs/dbraw/zinc/54/73/12/805547312.db2.gz DGAXSQKPRSCLHE-UHFFFAOYSA-N -1 0 302.308 -0.287 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CNC(=O)OC ZINC000838891517 805547972 /nfs/dbraw/zinc/54/79/72/805547972.db2.gz ZXQHDROJWNXZLX-MRVPVSSYSA-N -1 0 324.355 -0.480 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@H](C)NC(C)=O ZINC000838889106 805548074 /nfs/dbraw/zinc/54/80/74/805548074.db2.gz MKEIBUCKWNNQRE-WCBMZHEXSA-N -1 0 322.383 -0.311 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C ZINC000838851637 805548195 /nfs/dbraw/zinc/54/81/95/805548195.db2.gz ZQZBLIKJNXLBPC-UHFFFAOYSA-N -1 0 322.383 -0.452 20 0 DBADRM CS(=O)(=O)c1ccc(C=CC(=O)NCc2nc(=O)o[n-]2)o1 ZINC001295427859 805554980 /nfs/dbraw/zinc/55/49/80/805554980.db2.gz FANOTGPWVGGOLP-RQOWECAXSA-N -1 0 313.291 -0.311 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)C(=O)NCC2CC2)c1[O-] ZINC001295463509 805559232 /nfs/dbraw/zinc/55/92/32/805559232.db2.gz ZTXNLAJZKFNJIT-SSDOTTSWSA-N -1 0 323.353 -0.816 20 0 DBADRM C[C@H](CNC(=O)C=C1CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001295459714 805559370 /nfs/dbraw/zinc/55/93/70/805559370.db2.gz CLKOZRAFVAPTMT-MRVPVSSYSA-N -1 0 309.326 -0.580 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000883637016 807019418 /nfs/dbraw/zinc/01/94/18/807019418.db2.gz FPTZZOQLDOYPSJ-HBNTYKKESA-N -1 0 314.338 -0.818 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)NC[C@@H](C)CC(=O)[O-] ZINC001324966693 807020773 /nfs/dbraw/zinc/02/07/73/807020773.db2.gz HBCSYCXMIILWHK-VIFPVBQESA-N -1 0 301.343 -0.754 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001324998414 807023444 /nfs/dbraw/zinc/02/34/44/807023444.db2.gz CUZVUZINQPFANA-NXEZZACHSA-N -1 0 322.383 -0.847 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCOCC(=O)[O-])CCS1 ZINC000884476703 807050802 /nfs/dbraw/zinc/05/08/02/807050802.db2.gz YHTHOJPJAKUMPN-VIFPVBQESA-N -1 0 304.368 -0.442 20 0 DBADRM COc1ncccc1CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001325533152 807078161 /nfs/dbraw/zinc/07/81/61/807078161.db2.gz AKFYTBGXMZVFQR-SNVBAGLBSA-N -1 0 309.322 -0.209 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC001325699913 807093321 /nfs/dbraw/zinc/09/33/21/807093321.db2.gz BSZZTTFPWNKGNU-VIFPVBQESA-N -1 0 324.424 -0.519 20 0 DBADRM O=C(c1ccc(F)cc1[O-])N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000886186888 807119902 /nfs/dbraw/zinc/11/99/02/807119902.db2.gz JSECPTVRGOSZCN-SECBINFHSA-N -1 0 315.326 -0.494 20 0 DBADRM CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000887057449 807147178 /nfs/dbraw/zinc/14/71/78/807147178.db2.gz GQMYMQMMQDOGOC-AXFHLTTASA-N -1 0 323.349 -0.859 20 0 DBADRM O=C(C[C@@]1(C(=O)[O-])CCOC1)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000887318026 807155071 /nfs/dbraw/zinc/15/50/71/807155071.db2.gz YQOLBCXJJXNENT-NHYWBVRUSA-N -1 0 310.350 -0.005 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])CCO1 ZINC000887306356 807155706 /nfs/dbraw/zinc/15/57/06/807155706.db2.gz QFQPRGOKMXQRPD-HTOAHKCRSA-N -1 0 322.361 -0.127 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCn3cnnc3C2)CC1 ZINC001326201077 807160338 /nfs/dbraw/zinc/16/03/38/807160338.db2.gz SUSAWQRTALGPFK-UHFFFAOYSA-N -1 0 321.337 -0.666 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1=O ZINC001326222283 807161820 /nfs/dbraw/zinc/16/18/20/807161820.db2.gz MLFBCOHUFUZZDQ-DTWKUNHWSA-N -1 0 307.306 -0.307 20 0 DBADRM C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ncn(C)n1 ZINC001326276331 807166518 /nfs/dbraw/zinc/16/65/18/807166518.db2.gz FRUVTTUAHWCNIA-HRDYMLBCSA-N -1 0 309.326 -0.638 20 0 DBADRM COC(=O)CCCCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001326392100 807176993 /nfs/dbraw/zinc/17/69/93/807176993.db2.gz UQPOUUJRNQEITF-SECBINFHSA-N -1 0 321.351 -0.570 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ncc(OC)s1 ZINC001326532689 807191066 /nfs/dbraw/zinc/19/10/66/807191066.db2.gz CCFQLZOEXMBKTM-UHFFFAOYSA-N -1 0 302.312 -0.726 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NC2CC(F)(F)C2)CCOCC1 ZINC001326547469 807192430 /nfs/dbraw/zinc/19/24/30/807192430.db2.gz OKHFBELTAUTGME-UHFFFAOYSA-N -1 0 320.292 -0.102 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)C[C@H]1CCCCO1 ZINC001326745290 807209152 /nfs/dbraw/zinc/20/91/52/807209152.db2.gz DUPKBDHCJPTVJA-SNVBAGLBSA-N -1 0 301.343 -0.802 20 0 DBADRM C[C@]1(C(=O)NCC2([NH2+]Cc3n[nH]c(=O)[n-]3)CCC2)CCNC1=O ZINC001326889421 807222188 /nfs/dbraw/zinc/22/21/88/807222188.db2.gz KPHYBZHZTOPBSI-ZDUSSCGKSA-N -1 0 322.369 -0.835 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC001326984253 807228237 /nfs/dbraw/zinc/22/82/37/807228237.db2.gz QLZAJWGGYLWHLX-VHSXEESVSA-N -1 0 301.343 -0.898 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@H](C(=O)[O-])c2ccnn2C)cnn1C ZINC001326991499 807230117 /nfs/dbraw/zinc/23/01/17/807230117.db2.gz QAUMRDICQZRYEZ-JTQLQIEISA-N -1 0 320.309 -0.657 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H](COC)[C@@H]1CCCOC1 ZINC000898748813 807235798 /nfs/dbraw/zinc/23/57/98/807235798.db2.gz GKURRTIGFVPINK-MNOVXSKESA-N -1 0 304.343 -0.762 20 0 DBADRM COC[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@H]1CCCOC1 ZINC000898868838 807240404 /nfs/dbraw/zinc/24/04/04/807240404.db2.gz FQBRCPINBZAHMZ-SDDRHHMPSA-N -1 0 316.354 -0.077 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2cc(OC(F)F)n(C)n2)C(=O)N1C ZINC000899034583 807244375 /nfs/dbraw/zinc/24/43/75/807244375.db2.gz FTKTZBCZGVKBBU-YFKPBYRVSA-N -1 0 317.252 -0.051 20 0 DBADRM COCCCn1cc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)cn1 ZINC000899039376 807245608 /nfs/dbraw/zinc/24/56/08/807245608.db2.gz DISSDJICHDVLLM-SECBINFHSA-N -1 0 309.326 -0.153 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@H](CO)CC1CCOCC1 ZINC001327281909 807254670 /nfs/dbraw/zinc/25/46/70/807254670.db2.gz FEKMPGMGBJVGJU-GFCCVEGCSA-N -1 0 317.386 -0.222 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCCOCC2)C[C@@H]1C(=O)[O-] ZINC000899557145 807263708 /nfs/dbraw/zinc/26/37/08/807263708.db2.gz MSXWYXOQVNNXER-MNOVXSKESA-N -1 0 306.384 -0.004 20 0 DBADRM COC[C@H]1CCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC000899582573 807264989 /nfs/dbraw/zinc/26/49/89/807264989.db2.gz DDXCMSLFDHVTKL-NSHDSACASA-N -1 0 304.343 -0.218 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)[N-]S(=O)(=O)CC(F)F ZINC001327457278 807285702 /nfs/dbraw/zinc/28/57/02/807285702.db2.gz KSADRHHFPPWWGB-UHFFFAOYSA-N -1 0 313.282 -0.971 20 0 DBADRM NC(=O)CN1CCC[C@@H](NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC001327477610 807288423 /nfs/dbraw/zinc/28/84/23/807288423.db2.gz MVIIDLFHOUHZFM-IAQYHMDHSA-N -1 0 309.366 -0.137 20 0 DBADRM NC(=O)CN1CCC[C@H](NC(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC001327477611 807288476 /nfs/dbraw/zinc/28/84/76/807288476.db2.gz MVIIDLFHOUHZFM-NHYWBVRUSA-N -1 0 309.366 -0.137 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(F)c(F)c1 ZINC001327482474 807289258 /nfs/dbraw/zinc/28/92/58/807289258.db2.gz WAAYVCDGFCDZSR-UHFFFAOYSA-N -1 0 315.276 -0.235 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])n1 ZINC001327500526 807293266 /nfs/dbraw/zinc/29/32/66/807293266.db2.gz NMOGDPMNDRZRPB-SECBINFHSA-N -1 0 308.338 -0.377 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1CCC(OC)CC1 ZINC001327527286 807298853 /nfs/dbraw/zinc/29/88/53/807298853.db2.gz PYLMIYRUVJNMBN-UHFFFAOYSA-N -1 0 315.370 -0.508 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](OC(C)C)C1 ZINC001327571225 807305088 /nfs/dbraw/zinc/30/50/88/807305088.db2.gz GWTOXTWERDDKGW-NSHDSACASA-N -1 0 315.370 -0.414 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCOCC2(CCC2)C1 ZINC001327571270 807305183 /nfs/dbraw/zinc/30/51/83/807305183.db2.gz IHGMDMBSKBXXBH-UHFFFAOYSA-N -1 0 313.354 -0.801 20 0 DBADRM CCOC[C@@H]1CCN(C(=O)C(=O)NCC(=O)[N-]OCC)C1 ZINC001327571108 807305305 /nfs/dbraw/zinc/30/53/05/807305305.db2.gz DHPHGVVBXLTRCB-SNVBAGLBSA-N -1 0 301.343 -0.945 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC001327591083 807308329 /nfs/dbraw/zinc/30/83/29/807308329.db2.gz BYNGESPKCPDDLW-BXUZGUMPSA-N -1 0 300.355 -0.201 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCCOCCF)CCOCC1 ZINC001327647724 807317860 /nfs/dbraw/zinc/31/78/60/807317860.db2.gz HOHXQBLXOMETBO-UHFFFAOYSA-N -1 0 320.317 -0.914 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccc(Br)n1 ZINC001327716664 807327452 /nfs/dbraw/zinc/32/74/52/807327452.db2.gz NESOVCBQBHIFPP-UHFFFAOYSA-N -1 0 317.099 -0.684 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](CC)[C@H]1CCCCO1 ZINC001327756886 807332882 /nfs/dbraw/zinc/33/28/82/807332882.db2.gz BPZRBKBWXDYUMA-GHMZBOCLSA-N -1 0 315.370 -0.366 20 0 DBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cccs1)N1CCNCC1=O ZINC000901007117 807339948 /nfs/dbraw/zinc/33/99/48/807339948.db2.gz LFGDZYXNSNLYHG-MRVPVSSYSA-N -1 0 317.392 -0.627 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@H]1Cc2ccccc2CN1 ZINC000901035754 807342234 /nfs/dbraw/zinc/34/22/34/807342234.db2.gz PVEKKBCCSVAHLF-CHWSQXEVSA-N -1 0 310.375 -0.064 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)[N-]OCCC2CC2)cn1 ZINC001327847652 807347592 /nfs/dbraw/zinc/34/75/92/807347592.db2.gz AHIQLOAXLRXPJN-UHFFFAOYSA-N -1 0 323.353 -0.242 20 0 DBADRM COCCCn1nc(C(=O)N2CCC[C@H]2C(=O)[O-])ccc1=O ZINC001327927440 807357329 /nfs/dbraw/zinc/35/73/29/807357329.db2.gz FVOLUPFNWKSRKG-NSHDSACASA-N -1 0 309.322 -0.031 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCCN1CCS(=O)(=O)CC1 ZINC001327944952 807360546 /nfs/dbraw/zinc/36/05/46/807360546.db2.gz JEWIJLFNUOBIJH-JTQLQIEISA-N -1 0 320.411 -0.420 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N3CC[C@H](C(=O)[O-])C3)CC2=O)cn1 ZINC000901440663 807363623 /nfs/dbraw/zinc/36/36/23/807363623.db2.gz YGDGRZIYJSYZRK-VHSXEESVSA-N -1 0 306.322 -0.294 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000901419506 807363961 /nfs/dbraw/zinc/36/39/61/807363961.db2.gz CKALGOVWWMSSCW-WDSKDSINSA-N -1 0 303.258 -0.248 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N3CCC[C@@H]3C(=O)[O-])CC2=O)cn1 ZINC000901441431 807364473 /nfs/dbraw/zinc/36/44/73/807364473.db2.gz BIMMSDMFOPTXGO-MWLCHTKSSA-N -1 0 306.322 -0.151 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC000901574631 807365111 /nfs/dbraw/zinc/36/51/11/807365111.db2.gz IGJKQDISNXHXTI-LBPRGKRZSA-N -1 0 304.368 -0.265 20 0 DBADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000901653261 807365307 /nfs/dbraw/zinc/36/53/07/807365307.db2.gz UOPVVIYOGYWEEW-ZKKRXERASA-N -1 0 301.364 -0.011 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000901616369 807365748 /nfs/dbraw/zinc/36/57/48/807365748.db2.gz FGKRFCIRLGYLLV-BQBZGAKWSA-N -1 0 312.244 -0.245 20 0 DBADRM C[C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1C(=O)[O-] ZINC000901699265 807365827 /nfs/dbraw/zinc/36/58/27/807365827.db2.gz NBWQEQRLRMSUSK-GHMZBOCLSA-N -1 0 318.395 -0.019 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000901817248 807366146 /nfs/dbraw/zinc/36/61/46/807366146.db2.gz KNNGAOJTFYGKBT-RNFRBKRXSA-N -1 0 312.244 -0.292 20 0 DBADRM C[C@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C[C@@H]1C(=O)[O-] ZINC000901699269 807366199 /nfs/dbraw/zinc/36/61/99/807366199.db2.gz NBWQEQRLRMSUSK-QWRGUYRKSA-N -1 0 318.395 -0.019 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)c2cc(C(=O)[O-])nn2C)CC1 ZINC000901913665 807366696 /nfs/dbraw/zinc/36/66/96/807366696.db2.gz CXYSACRUSCGSFZ-UHFFFAOYSA-N -1 0 309.326 -0.442 20 0 DBADRM Cc1nn(C)c(N2CCOCC2)c1CN1CCOC[C@@H]1C(=O)[O-] ZINC000901989751 807366909 /nfs/dbraw/zinc/36/69/09/807366909.db2.gz WXWMWUKTOULOOP-CYBMUJFWSA-N -1 0 324.381 -0.149 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN1CCC[C@@]1(C)C(=O)[O-] ZINC000902007372 807366962 /nfs/dbraw/zinc/36/69/62/807366962.db2.gz RKPGYGVNEUNCMW-LBPRGKRZSA-N -1 0 316.383 -0.023 20 0 DBADRM CCN(CC)C(=O)CN1CCN(C(=O)[C@@H](OC)C(=O)[O-])CC1 ZINC000901958441 807367512 /nfs/dbraw/zinc/36/75/12/807367512.db2.gz JQOWHODNCDFKON-GFCCVEGCSA-N -1 0 315.370 -0.901 20 0 DBADRM CN1CCCC[C@@H](C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1=O ZINC000902060690 807368113 /nfs/dbraw/zinc/36/81/13/807368113.db2.gz SDFAEQGTCHGXLI-UEKVPHQBSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CC[C@H]1C(=O)[O-] ZINC000902173063 807370060 /nfs/dbraw/zinc/37/00/60/807370060.db2.gz GEHXNJGSEQUBPJ-NXEZZACHSA-N -1 0 306.384 -0.163 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CSCN2C(C)=O)C1 ZINC000902311488 807371391 /nfs/dbraw/zinc/37/13/91/807371391.db2.gz QRDKYWLBUCSWQU-GXFFZTMASA-N -1 0 316.379 -0.143 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)CCN2CCOC2=O)C1 ZINC000902310762 807371957 /nfs/dbraw/zinc/37/19/57/807371957.db2.gz MDCQTVMUBGFLAB-CYBMUJFWSA-N -1 0 300.311 -0.222 20 0 DBADRM O=C(CN1c2ccccc2C([O-])=CS1(=O)=O)N1CCOCC1 ZINC000902659517 807379745 /nfs/dbraw/zinc/37/97/45/807379745.db2.gz UKUAJCKHCUEAJY-UHFFFAOYSA-N -1 0 324.358 -0.122 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@]1(OC)CCSC1 ZINC000902722943 807380127 /nfs/dbraw/zinc/38/01/27/807380127.db2.gz KTBADBRLFQQXNS-LBPRGKRZSA-N -1 0 305.352 -0.015 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000902776250 807381543 /nfs/dbraw/zinc/38/15/43/807381543.db2.gz MMQAIUOHDRHYCN-LLVKDONJSA-N -1 0 311.338 -0.857 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cccn(C3CC3)c2=O)CC1 ZINC000902773259 807381875 /nfs/dbraw/zinc/38/18/75/807381875.db2.gz OURDGCVTYHISRL-UHFFFAOYSA-N -1 0 319.317 -0.448 20 0 DBADRM CCN(CC)C(=O)CN1c2c(cnn2C)C([O-])=CS1(=O)=O ZINC000902830286 807382940 /nfs/dbraw/zinc/38/29/40/807382940.db2.gz PRZYXZRHFYBELM-UHFFFAOYSA-N -1 0 314.367 -0.379 20 0 DBADRM Cn1ncc2c1N(CCO[C@@H]1CCOC1)S(=O)(=O)C=C2[O-] ZINC000902833558 807382958 /nfs/dbraw/zinc/38/29/58/807382958.db2.gz GYBDTHXRWSIZDQ-SECBINFHSA-N -1 0 315.351 -0.442 20 0 DBADRM CC(C)=CC(=O)N1CCC(O)(C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001328141797 807383166 /nfs/dbraw/zinc/38/31/66/807383166.db2.gz RYGKVTOAQBGOFC-UHFFFAOYSA-N -1 0 323.397 -0.482 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1=O ZINC001328143722 807384092 /nfs/dbraw/zinc/38/40/92/807384092.db2.gz KXEQZHNSMNAFLP-CQSZACIVSA-N -1 0 321.337 -0.424 20 0 DBADRM CCCO[N-]C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC001328235384 807397093 /nfs/dbraw/zinc/39/70/93/807397093.db2.gz FGBRDQYXGKTJPL-UHFFFAOYSA-N -1 0 309.326 -0.442 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1COc2cc(F)ccc2C1 ZINC001328255844 807401233 /nfs/dbraw/zinc/40/12/33/807401233.db2.gz HTZMWOLXHFHNFW-LLVKDONJSA-N -1 0 312.297 -0.060 20 0 DBADRM CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)CC2(F)CC2)n1 ZINC000903605722 807401667 /nfs/dbraw/zinc/40/16/67/807401667.db2.gz CAODWQUCWVKMAX-UHFFFAOYSA-N -1 0 305.335 -0.390 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cn(C)nc2COC)C1=O ZINC001328288458 807406870 /nfs/dbraw/zinc/40/68/70/807406870.db2.gz HSMMLVSWCCKKIO-ZDUSSCGKSA-N -1 0 309.326 -0.068 20 0 DBADRM CCn1ccc(NC(=O)C(=O)N[C@H](C(=O)[O-])c2ccnn2C)n1 ZINC001328333180 807412630 /nfs/dbraw/zinc/41/26/30/807412630.db2.gz HYLKEBONGBYULR-JTQLQIEISA-N -1 0 320.309 -0.483 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)C[C@H]2CC(=O)N2)ccc1[O-] ZINC001328368787 807418244 /nfs/dbraw/zinc/41/82/44/807418244.db2.gz DKFOVOJZWKHVHD-QMMMGPOBSA-N -1 0 313.335 -0.483 20 0 DBADRM CCN(C)S(=O)(=O)N1Cc2cc(C(=O)[O-])nn2C[C@@H]1C ZINC000903877642 807419077 /nfs/dbraw/zinc/41/90/77/807419077.db2.gz CEFHBWJVLXFHNJ-QMMMGPOBSA-N -1 0 302.356 -0.018 20 0 DBADRM O=C(NCCCn1cc(CO)nn1)c1ccc2oc(=O)nc-2[n-]1 ZINC001328383362 807420830 /nfs/dbraw/zinc/42/08/30/807420830.db2.gz IGPPXSBWULIZNW-UHFFFAOYSA-N -1 0 318.293 -0.168 20 0 DBADRM CC(C)(CO)ONC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001328401637 807422487 /nfs/dbraw/zinc/42/24/87/807422487.db2.gz JPGLCCKVTADBDI-UHFFFAOYSA-N -1 0 304.324 -0.528 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N(C)[C@H]1CCOC1 ZINC000904936792 807427826 /nfs/dbraw/zinc/42/78/26/807427826.db2.gz RDQPFHPQGUQFIX-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCOC[C@H]1C ZINC000904936956 807427944 /nfs/dbraw/zinc/42/79/44/807427944.db2.gz SVZMZBYTKLCBEL-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCS[C@H](C)C1 ZINC000904936374 807427972 /nfs/dbraw/zinc/42/79/72/807427972.db2.gz MTRCWZZEOTVBFZ-SNVBAGLBSA-N -1 0 318.395 -0.100 20 0 DBADRM CC1(C)COCCN1CCNC(=O)C(=O)NCCCC(=O)[O-] ZINC001328451061 807428510 /nfs/dbraw/zinc/42/85/10/807428510.db2.gz OKFPLQYEYKHAER-UHFFFAOYSA-N -1 0 315.370 -0.806 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1 ZINC001328454358 807428634 /nfs/dbraw/zinc/42/86/34/807428634.db2.gz HFQMFXNFRVYKEO-OUAUKWLOSA-N -1 0 323.349 -0.953 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000904944569 807429080 /nfs/dbraw/zinc/42/90/80/807429080.db2.gz ZBUFZTSIGCPYME-PHIMTYICSA-N -1 0 314.338 -0.959 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCC1(CSC)CC1 ZINC001328528614 807437442 /nfs/dbraw/zinc/43/74/42/807437442.db2.gz FQHGVSOSXCHSQY-UHFFFAOYSA-N -1 0 317.411 -0.180 20 0 DBADRM COC(=O)N(C)CCNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001328583710 807445838 /nfs/dbraw/zinc/44/58/38/807445838.db2.gz NIJZSGQUUOCFHJ-UHFFFAOYSA-N -1 0 315.248 -0.199 20 0 DBADRM NC(=O)NCCCCCC(=O)NOCCN1CCCC1=O ZINC001328594708 807446656 /nfs/dbraw/zinc/44/66/56/807446656.db2.gz OEALMSGNPGFVMY-UHFFFAOYSA-N -1 0 300.359 -0.115 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001328672932 807454328 /nfs/dbraw/zinc/45/43/28/807454328.db2.gz YQGYDJYPSFDDDN-UHFFFAOYSA-N -1 0 309.388 -0.912 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001328679845 807455225 /nfs/dbraw/zinc/45/52/25/807455225.db2.gz RJQFWHIIPOCHCT-NSHDSACASA-N -1 0 300.359 -0.436 20 0 DBADRM COC1CCN(S(=O)(=O)NCC(F)(F)C(=O)[O-])CC1 ZINC000906000464 807475642 /nfs/dbraw/zinc/47/56/42/807475642.db2.gz YZSKSKZXWMSIAZ-UHFFFAOYSA-N -1 0 302.299 -0.349 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CC(=O)NCC23COC3)cc1=O ZINC000906125913 807477413 /nfs/dbraw/zinc/47/74/13/807477413.db2.gz UTYDWVAWPSKYHP-UHFFFAOYSA-N -1 0 322.365 -0.898 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCc2ccc[nH]c2=O)CCC1 ZINC001328966428 807496560 /nfs/dbraw/zinc/49/65/60/807496560.db2.gz XRXWXWPGLVRXRC-UHFFFAOYSA-N -1 0 307.306 -0.226 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](OCC)C1 ZINC001328998578 807503434 /nfs/dbraw/zinc/50/34/34/807503434.db2.gz JATHJBZXHTZOSO-JTQLQIEISA-N -1 0 301.343 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCS[C@@H](CC)C1 ZINC001329001432 807503594 /nfs/dbraw/zinc/50/35/94/807503594.db2.gz VADLVACDCSAMOU-VIFPVBQESA-N -1 0 303.384 -0.476 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@H](C)c1cccnc1 ZINC001329001907 807504416 /nfs/dbraw/zinc/50/44/16/807504416.db2.gz XFCVTJXBQZDWMQ-SNVBAGLBSA-N -1 0 308.338 -0.215 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@@](F)(CO)C2)cc1C(=O)[O-] ZINC000906973894 807507184 /nfs/dbraw/zinc/50/71/84/807507184.db2.gz FKCHYVRRXZJFGT-NSHDSACASA-N -1 0 306.315 -0.182 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC001329025321 807507221 /nfs/dbraw/zinc/50/72/21/807507221.db2.gz VDTJKPBMSKCNHC-FBTJUVTCSA-N -1 0 310.350 -0.461 20 0 DBADRM CN(C[C@H]1COCCO1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000907039234 807509159 /nfs/dbraw/zinc/50/91/59/807509159.db2.gz BXVAIKJGNQWVGV-VIFPVBQESA-N -1 0 318.351 -0.241 20 0 DBADRM CN1CCOC[C@@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000907062918 807509752 /nfs/dbraw/zinc/50/97/52/807509752.db2.gz PCLXFXUGFBHKPF-NSHDSACASA-N -1 0 314.363 -0.006 20 0 DBADRM CN1CCOC[C@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000907062917 807510308 /nfs/dbraw/zinc/51/03/08/807510308.db2.gz PCLXFXUGFBHKPF-LLVKDONJSA-N -1 0 314.363 -0.006 20 0 DBADRM CO[C@H]1C[C@@H](CNC(=O)C(=O)N=c2ccnc3n(C)[nH]cc2-3)C1 ZINC001329055109 807512409 /nfs/dbraw/zinc/51/24/09/807512409.db2.gz WQCDDGYTWPIGEM-AOOOYVTPSA-N -1 0 317.349 -0.179 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ncnn1C ZINC001329062360 807512942 /nfs/dbraw/zinc/51/29/42/807512942.db2.gz RTCGAYZJYKPTQJ-GUBZILKMSA-N -1 0 323.353 -0.439 20 0 DBADRM CC(=O)N1CCC[C@@H](CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC001329119921 807525299 /nfs/dbraw/zinc/52/52/99/807525299.db2.gz DRJPXFKWLDMKBI-ONGXEEELSA-N -1 0 313.354 -0.802 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC001329148351 807528987 /nfs/dbraw/zinc/52/89/87/807528987.db2.gz TZCFTYKQKYGJOH-VHSXEESVSA-N -1 0 322.383 -0.847 20 0 DBADRM O=C(CN1CCSC1=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907476491 807531291 /nfs/dbraw/zinc/53/12/91/807531291.db2.gz NPUGTBMJCKZSEV-ZETCQYMHSA-N -1 0 314.396 -0.015 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001329162902 807531766 /nfs/dbraw/zinc/53/17/66/807531766.db2.gz KSOVZFJXLAMGDV-ZJUUUORDSA-N -1 0 313.354 -0.850 20 0 DBADRM CSCC[C@H](O)C(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907478398 807531877 /nfs/dbraw/zinc/53/18/77/807531877.db2.gz XWGBDGFMTYXLHJ-YUMQZZPRSA-N -1 0 303.413 -0.070 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1cc(CCOC)nn1C ZINC001329193085 807536487 /nfs/dbraw/zinc/53/64/87/807536487.db2.gz ZEGFVACGPIJHDH-UHFFFAOYSA-N -1 0 314.342 -0.368 20 0 DBADRM O=C([O-])COCCNC(=O)Cn1ncc2ccccc2c1=O ZINC001329215214 807538839 /nfs/dbraw/zinc/53/88/39/807538839.db2.gz NLTVGNIRFVKUHY-UHFFFAOYSA-N -1 0 305.290 -0.386 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC001329369343 807555152 /nfs/dbraw/zinc/55/51/52/807555152.db2.gz LAEQMRGFHZHDTG-SNVBAGLBSA-N -1 0 315.370 -0.414 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC001329364698 807555275 /nfs/dbraw/zinc/55/52/75/807555275.db2.gz OTVHMKPANKMAAB-AAEUAGOBSA-N -1 0 311.382 -0.234 20 0 DBADRM CN(CCOCCO)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001329427039 807563485 /nfs/dbraw/zinc/56/34/85/807563485.db2.gz JLZBZCNKRULKJW-UHFFFAOYSA-N -1 0 316.354 -0.833 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC001329432914 807564289 /nfs/dbraw/zinc/56/42/89/807564289.db2.gz JAAKSEIFZYCGAB-SCZZXKLOSA-N -1 0 324.337 -0.394 20 0 DBADRM Cn1cnc(CCCNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC001329468719 807571686 /nfs/dbraw/zinc/57/16/86/807571686.db2.gz LBHYGEKWFSAENM-CQSZACIVSA-N -1 0 323.353 -0.813 20 0 DBADRM Cn1cnc(CCCNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC001329468718 807571849 /nfs/dbraw/zinc/57/18/49/807571849.db2.gz LBHYGEKWFSAENM-AWEZNQCLSA-N -1 0 323.353 -0.813 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc2c(c1)CCOC2 ZINC001329557298 807586264 /nfs/dbraw/zinc/58/62/64/807586264.db2.gz LYNGILAPPLYDHZ-UHFFFAOYSA-N -1 0 302.294 -0.473 20 0 DBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC001329579873 807589781 /nfs/dbraw/zinc/58/97/81/807589781.db2.gz PDMCUEGETMMEIM-JTQLQIEISA-N -1 0 311.382 -0.092 20 0 DBADRM NC(=O)c1ccc(CNC(=O)C(=O)[N-]OCCC(F)(F)F)o1 ZINC001329582613 807590027 /nfs/dbraw/zinc/59/00/27/807590027.db2.gz PWGKXPLTCPQYNB-UHFFFAOYSA-N -1 0 323.227 -0.005 20 0 DBADRM COC(=O)[C@](C)(Cn1cccn1)[N-]S(=O)(=O)C1COC1 ZINC000908397419 807591667 /nfs/dbraw/zinc/59/16/67/807591667.db2.gz SZQSOTVPOBXBOI-NSHDSACASA-N -1 0 303.340 -0.867 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)NC[C@H]1COCCO1 ZINC000908686536 807601990 /nfs/dbraw/zinc/60/19/90/807601990.db2.gz CVFMYJOSOIHPBA-WDEREUQCSA-N -1 0 304.343 -0.079 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC001329676054 807602935 /nfs/dbraw/zinc/60/29/35/807602935.db2.gz UZSPJQQHDSJGNO-UHFFFAOYSA-N -1 0 322.321 -0.784 20 0 DBADRM O=C([O-])CCN(C(=O)CN1CCCCS1(=O)=O)C1CC1 ZINC000908873651 807603449 /nfs/dbraw/zinc/60/34/49/807603449.db2.gz GLHKKKJJMMZPOS-UHFFFAOYSA-N -1 0 304.368 -0.122 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)N2CCSC[C@@H]2CC(=O)[O-])cn1 ZINC000909012003 807606066 /nfs/dbraw/zinc/60/60/66/807606066.db2.gz XYFHFNPNNNDGPG-WDEREUQCSA-N -1 0 313.379 -0.258 20 0 DBADRM Cn1cnnc1COCC(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000909016899 807606313 /nfs/dbraw/zinc/60/63/13/807606313.db2.gz RLTXKZHZHVPVKB-VIFPVBQESA-N -1 0 314.367 -0.250 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N2CCSC[C@@H]2CC(=O)[O-])cn1 ZINC000909012002 807606382 /nfs/dbraw/zinc/60/63/82/807606382.db2.gz XYFHFNPNNNDGPG-QWRGUYRKSA-N -1 0 313.379 -0.258 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C(C)(C)CO ZINC000909199728 807611613 /nfs/dbraw/zinc/61/16/13/807611613.db2.gz LOLGBPVROAVFNK-UHFFFAOYSA-N -1 0 300.355 -0.214 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)N(CCOC)CC(=O)[O-])[C@H]1OC ZINC000909198649 807611671 /nfs/dbraw/zinc/61/16/71/807611671.db2.gz WIXQOUQNKLFXMM-CKYFFXLPSA-N -1 0 304.343 -0.079 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)[C@H](O)C2CCC2)CC1 ZINC000909821970 807617667 /nfs/dbraw/zinc/61/76/67/807617667.db2.gz CZMABQJCBUSCNC-SBKAZYGRSA-N -1 0 303.380 -0.028 20 0 DBADRM CCCOCC(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1 ZINC001329810057 807622779 /nfs/dbraw/zinc/62/27/79/807622779.db2.gz SRFDDJXIOLIVAS-UHFFFAOYSA-N -1 0 306.384 -0.130 20 0 DBADRM C[C@@]1(CO)CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC001329824653 807624990 /nfs/dbraw/zinc/62/49/90/807624990.db2.gz XBQKGKCJTYHJMJ-CQSZACIVSA-N -1 0 312.366 -0.022 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)c2ncnn21 ZINC001329823339 807625226 /nfs/dbraw/zinc/62/52/26/807625226.db2.gz KNAIAHNMEXJPRR-BDAKNGLRSA-N -1 0 321.337 -0.229 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)C1(OC)CCC1 ZINC001329852440 807631230 /nfs/dbraw/zinc/63/12/30/807631230.db2.gz RLYANJHGEIISQC-VIFPVBQESA-N -1 0 301.343 -0.756 20 0 DBADRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)CCN1CCCS1(=O)=O ZINC000923145923 807650550 /nfs/dbraw/zinc/65/05/50/807650550.db2.gz VPTGWFQOWRCAQU-MFKMUULPSA-N -1 0 316.379 -0.122 20 0 DBADRM CN1CC[C@H](C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])S1(=O)=O ZINC000923147966 807651020 /nfs/dbraw/zinc/65/10/20/807651020.db2.gz XQDCVJRCOHRRIG-LNLATYFQSA-N -1 0 302.352 -0.514 20 0 DBADRM Cc1ccccc1OC[C@H](O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000923250186 807655681 /nfs/dbraw/zinc/65/56/81/807655681.db2.gz IRIVRKBVPWWBNI-CYBMUJFWSA-N -1 0 322.361 -0.036 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001330007384 807658734 /nfs/dbraw/zinc/65/87/34/807658734.db2.gz HKXGQMJFMWAMSN-NXEZZACHSA-N -1 0 313.354 -0.802 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2ccnc(N3CCCC3)n2)C1=O ZINC001330127172 807675566 /nfs/dbraw/zinc/67/55/66/807675566.db2.gz KMEQIQDSLPNFBI-UHFFFAOYSA-N -1 0 304.310 -0.384 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1cn(C[C@H]2CCOC2)nn1 ZINC001330225077 807687742 /nfs/dbraw/zinc/68/77/42/807687742.db2.gz MAARVGGUZYDVCV-SECBINFHSA-N -1 0 321.341 -0.499 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC001330485939 807721640 /nfs/dbraw/zinc/72/16/40/807721640.db2.gz ARVQCIIEOGRSFP-KQAFNVIJSA-N -1 0 310.350 -0.390 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC001330483467 807721833 /nfs/dbraw/zinc/72/18/33/807721833.db2.gz SBRUXXSDWYORCS-ZJNREGCTSA-N -1 0 303.384 -0.251 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N(C[C@H]1CCOC1)C1CC1 ZINC001331080435 807768625 /nfs/dbraw/zinc/76/86/25/807768625.db2.gz NKHKUWXAORGKAP-MXWKQRLJSA-N -1 0 310.350 -0.007 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000927205862 807783371 /nfs/dbraw/zinc/78/33/71/807783371.db2.gz UZOFLQKHHURETG-UHFFFAOYSA-N -1 0 308.338 -0.099 20 0 DBADRM CO[N-]C(=O)CNC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000927211959 807784427 /nfs/dbraw/zinc/78/44/27/807784427.db2.gz PXMGHQPOLRZPBX-NSHDSACASA-N -1 0 322.369 -0.236 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000927211179 807784842 /nfs/dbraw/zinc/78/48/42/807784842.db2.gz LGWNHOIDLXYAJH-LLVKDONJSA-N -1 0 300.359 -0.830 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000927211560 807784905 /nfs/dbraw/zinc/78/49/05/807784905.db2.gz NFQAIXXIWOONBG-GFCCVEGCSA-N -1 0 314.386 -0.440 20 0 DBADRM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCC(=O)[N-]OC ZINC000927211605 807785005 /nfs/dbraw/zinc/78/50/05/807785005.db2.gz OKIQWSJYTFMFTA-JTQLQIEISA-N -1 0 300.359 -0.294 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000927213730 807785573 /nfs/dbraw/zinc/78/55/73/807785573.db2.gz BSIZUWYZEUWRQA-SNVBAGLBSA-N -1 0 301.343 -0.151 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCSC[C@@H](C(=O)OC)C1 ZINC000927216051 807785667 /nfs/dbraw/zinc/78/56/67/807785667.db2.gz JXIGRBKESCTJGP-QMMMGPOBSA-N -1 0 305.356 -0.788 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000927215929 807785779 /nfs/dbraw/zinc/78/57/79/807785779.db2.gz SATYFZAPHJEDKP-SFYZADRCSA-N -1 0 313.276 -0.134 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1c2ccccc2CN(C)C1=O ZINC000927216895 807785984 /nfs/dbraw/zinc/78/59/84/807785984.db2.gz TZEQVDQDZPTNLF-LBPRGKRZSA-N -1 0 306.322 -0.324 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000927216492 807785996 /nfs/dbraw/zinc/78/59/96/807785996.db2.gz MLJJRAAGSAMXTG-WDEREUQCSA-N -1 0 320.349 -0.345 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H](CCNC(C)=O)C1 ZINC000927214291 807786010 /nfs/dbraw/zinc/78/60/10/807786010.db2.gz ITLVDYHWGLJIEZ-NSHDSACASA-N -1 0 300.359 -0.388 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCSC[C@H]1c1cnn(C)c1 ZINC000927214022 807786025 /nfs/dbraw/zinc/78/60/25/807786025.db2.gz HHNXULIDCAQKNL-JTQLQIEISA-N -1 0 313.383 -0.103 20 0 DBADRM CNC(=O)CC[C@H]1CCCCN1C(=O)NCC(=O)[N-]OC ZINC000927214358 807786077 /nfs/dbraw/zinc/78/60/77/807786077.db2.gz JBIASIWULLMIQC-SNVBAGLBSA-N -1 0 300.359 -0.246 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000927213729 807786100 /nfs/dbraw/zinc/78/61/00/807786100.db2.gz BSIZUWYZEUWRQA-JTQLQIEISA-N -1 0 301.343 -0.151 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@]1(CO)CCc2ccccc21 ZINC000927218798 807786801 /nfs/dbraw/zinc/78/68/01/807786801.db2.gz VTKATAFJWVRNRJ-OAHLLOKOSA-N -1 0 307.350 -0.160 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCNC(=O)[C@H]1c1ccccc1C ZINC000927217738 807787098 /nfs/dbraw/zinc/78/70/98/807787098.db2.gz QHZVFJPLKKFVBU-CYBMUJFWSA-N -1 0 320.349 -0.145 20 0 DBADRM COCCCOC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001331386339 807791310 /nfs/dbraw/zinc/79/13/10/807791310.db2.gz HCYXMMYHBHRETE-UHFFFAOYSA-N -1 0 306.322 -0.100 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N(C)C1CCN(OC)CC1)C(=O)[O-] ZINC000927957107 807800715 /nfs/dbraw/zinc/80/07/15/807800715.db2.gz IBFNAYVIRLKDAY-SNVBAGLBSA-N -1 0 315.370 -0.302 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)C(=O)[O-] ZINC000927962593 807801072 /nfs/dbraw/zinc/80/10/72/807801072.db2.gz FWQHQPHFAUUTPU-KXNHARMFSA-N -1 0 310.350 -0.127 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCc2ccn(C)n2)CC[C@@H]1C(=O)[O-] ZINC001331729153 807821804 /nfs/dbraw/zinc/82/18/04/807821804.db2.gz BJVXZHOZOWWWQD-PWSUYJOCSA-N -1 0 322.365 -0.352 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCOCN2)c1 ZINC000928949149 807822381 /nfs/dbraw/zinc/82/23/81/807822381.db2.gz PQPLSCWWMVYDPS-UHFFFAOYSA-N -1 0 315.351 -0.423 20 0 DBADRM COC[C@H](NC(=O)N1CCOC[C@H]1C(=O)[O-])[C@H]1CCCO1 ZINC000929048901 807822812 /nfs/dbraw/zinc/82/28/12/807822812.db2.gz GOWOPTCPCVDYFQ-GARJFASQSA-N -1 0 302.327 -0.325 20 0 DBADRM COC(=O)C[C@H](C)N1CCN(C(=O)[C@@H](OC)C(=O)[O-])CC1 ZINC001331934211 807853052 /nfs/dbraw/zinc/85/30/52/807853052.db2.gz LGEOWCHSRCXTRM-GXSJLCMTSA-N -1 0 302.327 -0.818 20 0 DBADRM O=C([O-])COCC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC001332114404 807873560 /nfs/dbraw/zinc/87/35/60/807873560.db2.gz QALKBWYENPAGDZ-SNVBAGLBSA-N -1 0 321.289 -0.523 20 0 DBADRM C[C@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001332117513 807874668 /nfs/dbraw/zinc/87/46/68/807874668.db2.gz BLMPSKXSKXDRKE-ABAIWWIYSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCC(=O)N2CCCC2)C1 ZINC001332389860 807910906 /nfs/dbraw/zinc/91/09/06/807910906.db2.gz BWTPAFVSMPESCS-ZJUUUORDSA-N -1 0 311.338 -0.906 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-] ZINC001332414212 807914823 /nfs/dbraw/zinc/91/48/23/807914823.db2.gz UHMYEIFFSNTMQU-SECBINFHSA-N -1 0 322.243 -0.269 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2C3CCC2(CO)CC3)C1 ZINC001332433952 807917819 /nfs/dbraw/zinc/91/78/19/807917819.db2.gz KZHYPZDLNGXYBF-RWWNRMGGSA-N -1 0 310.350 -0.175 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2CC(=O)N2CCCC2)c1[O-] ZINC001038161811 815159962 /nfs/dbraw/zinc/15/99/62/815159962.db2.gz QUFDHXRUGBSFDD-LLVKDONJSA-N -1 0 321.381 -0.150 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[NH+](C[C@@H](O)C3(O)CCC3)CC2)n1 ZINC000931748811 807935945 /nfs/dbraw/zinc/93/59/45/807935945.db2.gz NUKAYZYBDDWYDG-GFCCVEGCSA-N -1 0 308.382 -0.111 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2[C@H](C)C(=O)NC2CC2)c1[O-] ZINC001038162896 815160872 /nfs/dbraw/zinc/16/08/72/815160872.db2.gz ZYRQFWBRAQITKE-MWLCHTKSSA-N -1 0 321.381 -0.105 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000931820894 807936488 /nfs/dbraw/zinc/93/64/88/807936488.db2.gz OHGMJBJXCYORBV-MNOVXSKESA-N -1 0 317.411 -0.623 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)CCc1ccccc1 ZINC001332586335 807943894 /nfs/dbraw/zinc/94/38/94/807943894.db2.gz XBQQWQGBHPOFSY-LLVKDONJSA-N -1 0 307.350 -0.082 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001332588712 807944980 /nfs/dbraw/zinc/94/49/80/807944980.db2.gz OLZSRGDIBYEQNV-SNVBAGLBSA-N -1 0 312.370 -0.246 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CSc2ccccc21 ZINC001332714696 807970148 /nfs/dbraw/zinc/97/01/48/807970148.db2.gz HQTZTPLSWONPQI-VIFPVBQESA-N -1 0 309.347 -0.257 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCOC1CCOCC1 ZINC000932834776 807980936 /nfs/dbraw/zinc/98/09/36/807980936.db2.gz LQZCJGZLQGMQMS-UHFFFAOYSA-N -1 0 306.384 -0.291 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](CC)OC[C@@H]1CC ZINC001332844261 807986767 /nfs/dbraw/zinc/98/67/67/807986767.db2.gz VNRFPZNIDCBZAB-WDEREUQCSA-N -1 0 315.370 -0.414 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(OCC)CC1 ZINC001332843150 807986771 /nfs/dbraw/zinc/98/67/71/807986771.db2.gz OWACIHAACUDQAV-UHFFFAOYSA-N -1 0 301.343 -0.802 20 0 DBADRM CCC[C@]1(CO)CCCN1C(=O)C(=O)NCC(=O)[N-]OCC ZINC001332840413 807986880 /nfs/dbraw/zinc/98/68/80/807986880.db2.gz AYGIFAYGKXVISD-CQSZACIVSA-N -1 0 315.370 -0.676 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCc2ccc(O)cc2C1 ZINC001332842590 807986910 /nfs/dbraw/zinc/98/69/10/807986910.db2.gz MRTPKENUXOBVNZ-UHFFFAOYSA-N -1 0 321.333 -0.539 20 0 DBADRM CCOC(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC001332944822 807998910 /nfs/dbraw/zinc/99/89/10/807998910.db2.gz IGZULNHNQFNVHP-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM COCCc1cc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])n(C)n1 ZINC001332944977 807998996 /nfs/dbraw/zinc/99/89/96/807998996.db2.gz DQFADQJRANDTPJ-MRVPVSSYSA-N -1 0 312.326 -0.616 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCc1nnc2n1CCC2)C(=O)[O-] ZINC001332947109 808000063 /nfs/dbraw/zinc/00/00/63/808000063.db2.gz SUCBVCFMFADFMU-SECBINFHSA-N -1 0 323.353 -0.687 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1SC ZINC001333107646 808015897 /nfs/dbraw/zinc/01/58/97/808015897.db2.gz DYYLQJQODCCEQA-RKDXNWHRSA-N -1 0 303.384 -0.429 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCCc1ccc(OC)nc1 ZINC001333132634 808019211 /nfs/dbraw/zinc/01/92/11/808019211.db2.gz RDRNDHCNCDDFSI-UHFFFAOYSA-N -1 0 311.338 -0.167 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NCc2ncccn2)CC1 ZINC001333164976 808023288 /nfs/dbraw/zinc/02/32/88/808023288.db2.gz AKYXCHBGWMKOAJ-UHFFFAOYSA-N -1 0 306.322 -0.194 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@H](C(C)(C)C)C1 ZINC001333295590 808040652 /nfs/dbraw/zinc/04/06/52/808040652.db2.gz JIOHXDIYONEBLX-VIFPVBQESA-N -1 0 301.343 -0.946 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](C)OC2(CCCC2)C1 ZINC001333333860 808045489 /nfs/dbraw/zinc/04/54/89/808045489.db2.gz GIYCUILJJRGZGJ-JTQLQIEISA-N -1 0 313.354 -0.660 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC001333333840 808045554 /nfs/dbraw/zinc/04/55/54/808045554.db2.gz GCHVCPJOSYWOMW-KRTXAFLBSA-N -1 0 323.296 -0.949 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC001333333838 808045785 /nfs/dbraw/zinc/04/57/85/808045785.db2.gz GCHVCPJOSYWOMW-JMCQJSRRSA-N -1 0 323.296 -0.949 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC(OC2CCC2)CC1 ZINC001333336730 808045995 /nfs/dbraw/zinc/04/59/95/808045995.db2.gz VIBMWGDCZREYLU-UHFFFAOYSA-N -1 0 313.354 -0.660 20 0 DBADRM CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCC(=O)[N-]OC ZINC001333335300 808046855 /nfs/dbraw/zinc/04/68/55/808046855.db2.gz MSWWXVNSNJBFQN-UHFFFAOYSA-N -1 0 323.349 -0.163 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c2ncnn21 ZINC001333531590 808072033 /nfs/dbraw/zinc/07/20/33/808072033.db2.gz BSZLMTWAWKETBP-AXTSPUMRSA-N -1 0 321.337 -0.230 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cncn3C)C2)c1[O-] ZINC000938214625 808081921 /nfs/dbraw/zinc/08/19/21/808081921.db2.gz XGEJTJVOPRDPJD-VIFPVBQESA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)C2)ncn1 ZINC000938238528 808086527 /nfs/dbraw/zinc/08/65/27/808086527.db2.gz YKUHBMAZMLFKOV-VIFPVBQESA-N -1 0 301.310 -0.452 20 0 DBADRM Cn1nccc1CC(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000938238309 808086983 /nfs/dbraw/zinc/08/69/83/808086983.db2.gz VSHSQJNAHPRRAG-VIFPVBQESA-N -1 0 303.326 -0.888 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cc[n+]([O-])cc1)OC ZINC001333671773 808087355 /nfs/dbraw/zinc/08/73/55/808087355.db2.gz PAHBPFDCPKOTIE-SNVBAGLBSA-N -1 0 304.324 -0.959 20 0 DBADRM O=C(COc1cccnc1)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000938238160 808087681 /nfs/dbraw/zinc/08/76/81/808087681.db2.gz FYTHPABGCSTFRY-JTQLQIEISA-N -1 0 316.321 -0.391 20 0 DBADRM C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCC1(C)C ZINC001333848028 808103654 /nfs/dbraw/zinc/10/36/54/808103654.db2.gz UMLWVPQKDYSIGU-PHIMTYICSA-N -1 0 311.382 -0.092 20 0 DBADRM CCN1C[C@H](C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001038328499 815178777 /nfs/dbraw/zinc/17/87/77/815178777.db2.gz MKLXBRRONXOROD-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000946982004 808160857 /nfs/dbraw/zinc/16/08/57/808160857.db2.gz DHAAHKSXOKHKJF-PSASIEDQSA-N -1 0 308.338 -0.527 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)CCc1ccccc1F ZINC001334508144 808173936 /nfs/dbraw/zinc/17/39/36/808173936.db2.gz BVPPJRRGGDQOHD-UHFFFAOYSA-N -1 0 311.313 -0.380 20 0 DBADRM COCCN(C(=O)C(=O)NCC(=O)[N-]OC)[C@@H]1CC[C@H](C)C1 ZINC001334510225 808173996 /nfs/dbraw/zinc/17/39/96/808173996.db2.gz KUSGIGKSAGHATE-WDEREUQCSA-N -1 0 315.370 -0.556 20 0 DBADRM CCOc1ccc(CN(C)C(=O)C(=O)NCC(=O)[N-]OC)cc1 ZINC001334512915 808174889 /nfs/dbraw/zinc/17/48/89/808174889.db2.gz WIBLZUZTNQPEPB-UHFFFAOYSA-N -1 0 323.349 -0.163 20 0 DBADRM O=C(CC1CC1)NC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000947577525 808205396 /nfs/dbraw/zinc/20/53/96/808205396.db2.gz PVBKMPPARIMDKV-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C([N-]OCc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001334823605 808205435 /nfs/dbraw/zinc/20/54/35/808205435.db2.gz ZFDPDAHLDRQGRW-LLVKDONJSA-N -1 0 312.347 -0.462 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC000947606387 808206404 /nfs/dbraw/zinc/20/64/04/808206404.db2.gz CSIZRAQLKGTJNJ-IONNQARKSA-N -1 0 320.357 -0.280 20 0 DBADRM C[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947633185 808209001 /nfs/dbraw/zinc/20/90/01/808209001.db2.gz IVBTXCFFDLRKIK-VLLVSFFDSA-N -1 0 321.381 -0.128 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2cnon2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947831942 808230836 /nfs/dbraw/zinc/23/08/36/808230836.db2.gz CJNHMINHTATFQP-YUMQZZPRSA-N -1 0 307.314 -0.324 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1C[C@H](C)OC2(CCC2)C1 ZINC001335082141 808233387 /nfs/dbraw/zinc/23/33/87/808233387.db2.gz NWYSHFZLTPISIG-JTQLQIEISA-N -1 0 310.358 -0.111 20 0 DBADRM CCCCCOC1CN(C(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001335141540 808243416 /nfs/dbraw/zinc/24/34/16/808243416.db2.gz BONWHEIHNGBZGD-UHFFFAOYSA-N -1 0 301.343 -0.802 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2ccc[nH]c2=O)CC[C@@H]1C(=O)[O-] ZINC001335215260 808255475 /nfs/dbraw/zinc/25/54/75/808255475.db2.gz CMVIPCYVOFEHII-ONGXEEELSA-N -1 0 321.333 -0.027 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001335218134 808256607 /nfs/dbraw/zinc/25/66/07/808256607.db2.gz YDTMCWXJTVKHLD-ZCBMBIDYSA-N -1 0 318.395 -0.561 20 0 DBADRM CCOc1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001038397934 815189148 /nfs/dbraw/zinc/18/91/48/815189148.db2.gz LYFKFUZCDSAROI-MRVPVSSYSA-N -1 0 321.341 -0.364 20 0 DBADRM Cn1ccc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)cc1=O ZINC001038415083 815189891 /nfs/dbraw/zinc/18/98/91/815189891.db2.gz CTUBBEVCLKFGTL-JTQLQIEISA-N -1 0 318.337 -0.787 20 0 DBADRM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000948175021 808269748 /nfs/dbraw/zinc/26/97/48/808269748.db2.gz BYWDEUZNXJPHHB-BDAKNGLRSA-N -1 0 309.326 -0.340 20 0 DBADRM C/C=C(\C)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000948258289 808273123 /nfs/dbraw/zinc/27/31/23/808273123.db2.gz PNNMYEVPMXWLBJ-PSVJHUJZSA-N -1 0 323.353 -0.381 20 0 DBADRM CC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])CC[C@H]1NC(=O)C(N)=O ZINC000948380916 808281196 /nfs/dbraw/zinc/28/11/96/808281196.db2.gz ZJPOQEIVMFNIKG-RKDXNWHRSA-N -1 0 323.353 -0.734 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001335380950 808283325 /nfs/dbraw/zinc/28/33/25/808283325.db2.gz VIEMBMROAHJEIX-MWLCHTKSSA-N -1 0 313.354 -0.850 20 0 DBADRM CC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@H]1NC(C)=O ZINC000948492827 808290459 /nfs/dbraw/zinc/29/04/59/808290459.db2.gz RYUHRESWUUKRPG-RKDXNWHRSA-N -1 0 309.326 -0.340 20 0 DBADRM CC[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC[C@H]1NC(C)=O ZINC000948498393 808292860 /nfs/dbraw/zinc/29/28/60/808292860.db2.gz LHOPWPLIECLYBK-ZYHUDNBSSA-N -1 0 322.365 -0.137 20 0 DBADRM CC[C@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000948524419 808294507 /nfs/dbraw/zinc/29/45/07/808294507.db2.gz GJKWNCVIMCYNAR-DTWKUNHWSA-N -1 0 323.353 -0.734 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CC[C@](OC)(C(F)(F)F)C1 ZINC001335864105 808326819 /nfs/dbraw/zinc/32/68/19/808326819.db2.gz MGNIJHYNRCPCHF-SECBINFHSA-N -1 0 324.263 -0.492 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2ccn(CC(F)(F)F)n2)C1=O ZINC001335879917 808328154 /nfs/dbraw/zinc/32/81/54/808328154.db2.gz VMUNMJQCHOZQGT-UHFFFAOYSA-N -1 0 305.216 -0.016 20 0 DBADRM CCc1c(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001038460014 815196180 /nfs/dbraw/zinc/19/61/80/815196180.db2.gz QWNBTNDKWPMPQT-VIFPVBQESA-N -1 0 319.369 -0.190 20 0 DBADRM CCc1c(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001038460012 815196582 /nfs/dbraw/zinc/19/65/82/815196582.db2.gz QWNBTNDKWPMPQT-SECBINFHSA-N -1 0 319.369 -0.190 20 0 DBADRM Cc1nnccc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038461370 815196838 /nfs/dbraw/zinc/19/68/38/815196838.db2.gz FJTAKMDJTGONRT-VIFPVBQESA-N -1 0 303.326 -0.387 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC=C(Br)C1 ZINC001336093997 808341279 /nfs/dbraw/zinc/34/12/79/808341279.db2.gz DAVVHSJTIGBONR-UHFFFAOYSA-N -1 0 317.147 -0.160 20 0 DBADRM Cn1nccc1CN1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001038464894 815197347 /nfs/dbraw/zinc/19/73/47/815197347.db2.gz HPQQGPSEFRJMFY-QMMMGPOBSA-N -1 0 319.325 -0.979 20 0 DBADRM CN(C(=O)c1nc[nH]n1)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948866333 808349307 /nfs/dbraw/zinc/34/93/07/808349307.db2.gz BFCJTDSNOVQQCU-VIFPVBQESA-N -1 0 320.357 -0.245 20 0 DBADRM Cn1cncc1CN1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001038467292 815197539 /nfs/dbraw/zinc/19/75/39/815197539.db2.gz YVRSXROWADXNFK-QMMMGPOBSA-N -1 0 319.325 -0.979 20 0 DBADRM Cc1cc(CN2CC[C@@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001038467024 815197814 /nfs/dbraw/zinc/19/78/14/815197814.db2.gz WUYCUGGYYVTPBB-SECBINFHSA-N -1 0 320.309 -0.416 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2cn[nH]c2)c1[O-] ZINC000948912059 808356894 /nfs/dbraw/zinc/35/68/94/808356894.db2.gz BZHHEYMVZGEBDM-SECBINFHSA-N -1 0 304.310 -0.209 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2cn[nH]c2)c1[O-] ZINC000948912060 808357385 /nfs/dbraw/zinc/35/73/85/808357385.db2.gz BZHHEYMVZGEBDM-VIFPVBQESA-N -1 0 304.310 -0.209 20 0 DBADRM CO[C@H]1CC[C@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC000948954760 808365945 /nfs/dbraw/zinc/36/59/45/808365945.db2.gz RLFXVSMOKGJZRE-QWRGUYRKSA-N -1 0 309.370 -0.030 20 0 DBADRM NC(=O)c1ccc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)o1 ZINC001038490586 815199853 /nfs/dbraw/zinc/19/98/53/815199853.db2.gz UNWZTJNNOQRBAT-ZETCQYMHSA-N -1 0 320.309 -0.794 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1ccc(N(C)C(C)=O)cc1 ZINC001336570332 808392026 /nfs/dbraw/zinc/39/20/26/808392026.db2.gz CDDWGAWRZDMIPJ-UHFFFAOYSA-N -1 0 323.349 -0.020 20 0 DBADRM COc1nccc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001038499699 815201745 /nfs/dbraw/zinc/20/17/45/815201745.db2.gz YPFVECPSGNNSOH-QMMMGPOBSA-N -1 0 319.325 -0.687 20 0 DBADRM Cc1ncoc1CN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000949111305 808395931 /nfs/dbraw/zinc/39/59/31/808395931.db2.gz NGXATJAOWHLOSH-UHFFFAOYSA-N -1 0 320.309 -0.463 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(Cc2nncs2)CC1 ZINC000949110990 808396094 /nfs/dbraw/zinc/39/60/94/808396094.db2.gz BDYBOPBHNUNXGT-UHFFFAOYSA-N -1 0 323.338 -0.908 20 0 DBADRM Cc1nc(CN2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)co1 ZINC000949111440 808396273 /nfs/dbraw/zinc/39/62/73/808396273.db2.gz VGWFKSKYXGLJNQ-UHFFFAOYSA-N -1 0 320.309 -0.463 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCOCCF)C[C@H]1C1CC1 ZINC001336646784 808405188 /nfs/dbraw/zinc/40/51/88/808405188.db2.gz SCLPFDFVEVAEMT-WDEREUQCSA-N -1 0 316.329 -0.342 20 0 DBADRM Cn1ccc(=O)c(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1 ZINC000949232061 808425099 /nfs/dbraw/zinc/42/50/99/808425099.db2.gz NZZMZWOWCIBIQW-UHFFFAOYSA-N -1 0 318.337 -0.833 20 0 DBADRM Cc1cncn1CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949317841 808437599 /nfs/dbraw/zinc/43/75/99/808437599.db2.gz HQFFBNURVXDRHJ-UHFFFAOYSA-N -1 0 305.342 -0.640 20 0 DBADRM Cc1cc(NC(=O)[C@H](C)SCC(=O)[N-]OCC(N)=O)no1 ZINC001337164995 808438855 /nfs/dbraw/zinc/43/88/55/808438855.db2.gz GRSOORYLKJNHBC-ZETCQYMHSA-N -1 0 316.339 -0.424 20 0 DBADRM Cc1cc(NC(=O)[C@@H](C)SCC(=O)[N-]OCC(N)=O)no1 ZINC001337164987 808439062 /nfs/dbraw/zinc/43/90/62/808439062.db2.gz GRSOORYLKJNHBC-SSDOTTSWSA-N -1 0 316.339 -0.424 20 0 DBADRM CC1CC(C(=O)NC[C@H]2CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000949340838 808440524 /nfs/dbraw/zinc/44/05/24/808440524.db2.gz CGHDYNZEDJKMQL-AMDVSUOASA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCN(CC2CC2)CC1 ZINC001337274660 808445599 /nfs/dbraw/zinc/44/55/99/808445599.db2.gz HBIQTGVGJIJOFV-HAQNSBGRSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC3(CCC3)CO2)C1 ZINC001337298693 808446531 /nfs/dbraw/zinc/44/65/31/808446531.db2.gz NPVONTMFGMMJNQ-WDEREUQCSA-N -1 0 310.350 -0.005 20 0 DBADRM NC(=O)CO[N-]C(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC001337347059 808448913 /nfs/dbraw/zinc/44/89/13/808448913.db2.gz XNELPRKNOFXNLL-UHFFFAOYSA-N -1 0 302.290 -0.562 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2cn(C)cn2)c1[O-] ZINC000949424663 808458692 /nfs/dbraw/zinc/45/86/92/808458692.db2.gz CGDCNBWFELPHSV-VIFPVBQESA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2cc[nH]n2)c1[O-] ZINC000949426728 808458705 /nfs/dbraw/zinc/45/87/05/808458705.db2.gz QZECAGSLOXEAJY-QMMMGPOBSA-N -1 0 304.310 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCCO2)c1[O-] ZINC000949426713 808459029 /nfs/dbraw/zinc/45/90/29/808459029.db2.gz QOOJLKCHRYGREI-NXEZZACHSA-N -1 0 308.338 -0.067 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)Cc2cnc[nH]2)c1[O-] ZINC000949430218 808460083 /nfs/dbraw/zinc/46/00/83/808460083.db2.gz JTNNCLQTBUSTHM-SNVBAGLBSA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2cncn2C)c1[O-] ZINC000949429609 808460133 /nfs/dbraw/zinc/46/01/33/808460133.db2.gz FFEPSAQPODJRRN-SECBINFHSA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)Cc2ncc[nH]2)c1[O-] ZINC000949433746 808461499 /nfs/dbraw/zinc/46/14/99/808461499.db2.gz BLVCHOSXPPGUBL-SECBINFHSA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)Cc2ncc[nH]2)c1[O-] ZINC000949433748 808461603 /nfs/dbraw/zinc/46/16/03/808461603.db2.gz BLVCHOSXPPGUBL-VIFPVBQESA-N -1 0 318.337 -0.280 20 0 DBADRM C[C@@H]1OCC[C@@]1(C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949448508 808463570 /nfs/dbraw/zinc/46/35/70/808463570.db2.gz WLETZGOVDOMXCC-IINYFYTJSA-N -1 0 309.370 -0.030 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000949456114 808464698 /nfs/dbraw/zinc/46/46/98/808464698.db2.gz IMNBBMGKSRJPRZ-YUMQZZPRSA-N -1 0 321.337 -0.340 20 0 DBADRM CC[C@H](F)CN1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000949609765 808494683 /nfs/dbraw/zinc/49/46/83/808494683.db2.gz LWTWIBHBJLSBSC-JTQLQIEISA-N -1 0 312.345 -0.008 20 0 DBADRM CCOCCN1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2C)CC1 ZINC001338393304 808539189 /nfs/dbraw/zinc/53/91/89/808539189.db2.gz GPVGBIKFRWHFJT-UHFFFAOYSA-N -1 0 321.385 -0.802 20 0 DBADRM O=C(Cc1ncccc1F)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949866060 808556139 /nfs/dbraw/zinc/55/61/39/808556139.db2.gz BCQCFFIYNJHUIV-UHFFFAOYSA-N -1 0 320.328 -0.069 20 0 DBADRM CCN(C(=O)c1cnn(C)c1N)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949937696 808565663 /nfs/dbraw/zinc/56/56/63/808565663.db2.gz LHENEIPWBYNSBX-UHFFFAOYSA-N -1 0 320.357 -0.828 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001338842930 808568778 /nfs/dbraw/zinc/56/87/78/808568778.db2.gz UOTOSWCDKYXAAZ-VIFPVBQESA-N -1 0 319.325 -0.667 20 0 DBADRM CCN(C(=O)c1nn(C)cc1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950059740 808583435 /nfs/dbraw/zinc/58/34/35/808583435.db2.gz IPAICEHUMAQGQZ-UHFFFAOYSA-N -1 0 319.369 -0.101 20 0 DBADRM CC(C)C(=O)N1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000950066570 808584116 /nfs/dbraw/zinc/58/41/16/808584116.db2.gz WSERUVMKKQVWCN-VIFPVBQESA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2ccn(C)n2)c1[O-] ZINC000950079944 808588397 /nfs/dbraw/zinc/58/83/97/808588397.db2.gz BUUKEGDVHBCMNH-SECBINFHSA-N -1 0 318.337 -0.198 20 0 DBADRM COCC[C@@H](C)CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001339821985 808605262 /nfs/dbraw/zinc/60/52/62/808605262.db2.gz LRZSMTVYPHPUGM-SNVBAGLBSA-N -1 0 301.343 -0.403 20 0 DBADRM COc1ccc(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)cn1 ZINC001340305552 808632212 /nfs/dbraw/zinc/63/22/12/808632212.db2.gz YWYCGXQKJFGSGG-NSHDSACASA-N -1 0 309.322 -0.209 20 0 DBADRM C/C=C(/C)C(=O)N1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000950345020 808634255 /nfs/dbraw/zinc/63/42/55/808634255.db2.gz YGTHPYZOEWCWNO-PTDYZRSTSA-N -1 0 321.337 -0.030 20 0 DBADRM C[C@@H]1COCC[C@@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000950346976 808634533 /nfs/dbraw/zinc/63/45/33/808634533.db2.gz LAAYRGRPICGCFI-MNOVXSKESA-N -1 0 309.370 -0.173 20 0 DBADRM C/C=C(/C)C(=O)N1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000950345018 808634566 /nfs/dbraw/zinc/63/45/66/808634566.db2.gz YGTHPYZOEWCWNO-CHDHTGKKSA-N -1 0 321.337 -0.030 20 0 DBADRM C[C@@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCCO1 ZINC000950366199 808636793 /nfs/dbraw/zinc/63/67/93/808636793.db2.gz WUPAULRLRYZKQS-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)c1cc[nH]c1 ZINC000950381977 808637540 /nfs/dbraw/zinc/63/75/40/808637540.db2.gz IBWNQCOPFHVDDT-MRVPVSSYSA-N -1 0 318.293 -0.745 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)NCC[C@H]2CC2(F)F)CC1 ZINC001340567982 808643311 /nfs/dbraw/zinc/64/33/11/808643311.db2.gz XGRWRLUGHVQKSV-QMMMGPOBSA-N -1 0 305.281 -0.030 20 0 DBADRM CN(C[C@H]1CCOC1)C(=O)NCCOCCOCC(=O)[O-] ZINC001340569860 808644003 /nfs/dbraw/zinc/64/40/03/808644003.db2.gz OOLAATBFBAWREJ-LLVKDONJSA-N -1 0 304.343 -0.218 20 0 DBADRM CCN1CCN(C(=O)NCCOCCOCC(=O)[O-])CC1 ZINC001340568473 808644023 /nfs/dbraw/zinc/64/40/23/808644023.db2.gz CFGLYBRWIFTFEU-UHFFFAOYSA-N -1 0 303.359 -0.549 20 0 DBADRM C[C@H]1OCCN(C(=O)NCCOCCOCC(=O)[O-])[C@@H]1C ZINC001340569343 808644147 /nfs/dbraw/zinc/64/41/47/808644147.db2.gz KCFUJJRRHZAWKW-GHMZBOCLSA-N -1 0 304.343 -0.077 20 0 DBADRM COC(C)(C)[C@H](C)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001340584875 808645040 /nfs/dbraw/zinc/64/50/40/808645040.db2.gz HVUQRRDCRLIFNY-VIFPVBQESA-N -1 0 301.343 -0.262 20 0 DBADRM O=C([C@@H]1CCCCC(=O)N1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000950441880 808647241 /nfs/dbraw/zinc/64/72/41/808647241.db2.gz UFFQIPUHKIMNAH-JTQLQIEISA-N -1 0 322.369 -0.787 20 0 DBADRM O=C([N-]OCc1ccccc1)C(=O)NCCNC(=O)C1CC1 ZINC001341088182 808668920 /nfs/dbraw/zinc/66/89/20/808668920.db2.gz QTJKLCQNTMEUQA-UHFFFAOYSA-N -1 0 305.334 -0.123 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)N[C@H]2CO[C@H](C3CC3)C2)CC1 ZINC001341326754 808679581 /nfs/dbraw/zinc/67/95/81/808679581.db2.gz OVLDDLXBTKRLPM-MNOVXSKESA-N -1 0 311.338 -0.508 20 0 DBADRM C[C@@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC000950624139 808683070 /nfs/dbraw/zinc/68/30/70/808683070.db2.gz ZPFCGQWUIDIVOM-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1cccc2c1C[C@H](NC(=O)[C@@]1(C(=O)[O-])C[NH2+]CCO1)CO2 ZINC001341452442 808685977 /nfs/dbraw/zinc/68/59/77/808685977.db2.gz UCDRMRMIMMHIGV-MEDUHNTESA-N -1 0 320.345 -0.142 20 0 DBADRM C[C@@H](C(=O)NCc1nc(=O)o[n-]1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001341588185 808691415 /nfs/dbraw/zinc/69/14/15/808691415.db2.gz VGSHPEMFSQPTRI-XHNCKOQMSA-N -1 0 322.321 -0.457 20 0 DBADRM CCN1CCC[C@H](NC(=O)C(=O)[N-]OC[C@H]2CCOC2)C1=O ZINC001341926586 808705242 /nfs/dbraw/zinc/70/52/42/808705242.db2.gz CUHWTMVXEXZURF-QWRGUYRKSA-N -1 0 313.354 -0.802 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)[C@H]1C[C@](C)(OC)C1(C)C ZINC001342029369 808712615 /nfs/dbraw/zinc/71/26/15/808712615.db2.gz GZKCHQOSSLBMCE-XPTSAGLGSA-N -1 0 315.370 -0.558 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2cccc(C)c2C1 ZINC001342029337 808712627 /nfs/dbraw/zinc/71/26/27/808712627.db2.gz GQPCFOBZWJROHP-UHFFFAOYSA-N -1 0 305.334 -0.326 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccccc1OC ZINC001342030855 808712739 /nfs/dbraw/zinc/71/27/39/808712739.db2.gz WBHJDIWTNBIOAQ-UHFFFAOYSA-N -1 0 309.322 -0.553 20 0 DBADRM O=C(NN1CC(=O)NC1=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001342156006 808718580 /nfs/dbraw/zinc/71/85/80/808718580.db2.gz HCBOQBUMLYWTNS-VIFPVBQESA-N -1 0 323.330 -0.469 20 0 DBADRM CCN(C(=O)c1coc(OC)n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950997724 808748389 /nfs/dbraw/zinc/74/83/89/808748389.db2.gz WHDHFZLTQRHTOW-UHFFFAOYSA-N -1 0 322.325 -0.147 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2cnn(C)n2)c1[O-] ZINC000951086016 808760673 /nfs/dbraw/zinc/76/06/73/808760673.db2.gz BQQVJUOQCCFTDT-QMMMGPOBSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2cnn(C)n2)c1[O-] ZINC000951086015 808761162 /nfs/dbraw/zinc/76/11/62/808761162.db2.gz BQQVJUOQCCFTDT-MRVPVSSYSA-N -1 0 319.325 -0.803 20 0 DBADRM CCN(C(=O)c1c(C)cnn1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000951196792 808780341 /nfs/dbraw/zinc/78/03/41/808780341.db2.gz BRIVGGGZLNLMQL-UHFFFAOYSA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1cc(=O)[nH]cc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038695496 815235797 /nfs/dbraw/zinc/23/57/97/815235797.db2.gz QHDOHAZCAHBODI-VIFPVBQESA-N -1 0 318.337 -0.076 20 0 DBADRM O=C(/C=C/C1CC1)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297557 808794804 /nfs/dbraw/zinc/79/48/04/808794804.db2.gz DATGUPWVBYIXOV-CDAZIORVSA-N -1 0 319.321 -0.420 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)c1ccco1)c1n[nH]c(=O)[n-]c1=O ZINC000951295568 808794958 /nfs/dbraw/zinc/79/49/58/808794958.db2.gz CAAFHMVECIQJDB-SSDOTTSWSA-N -1 0 319.277 -0.480 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951300620 808795828 /nfs/dbraw/zinc/79/58/28/808795828.db2.gz VEBKUQDMOKJFCB-RNJXMRFFSA-N -1 0 307.310 -0.731 20 0 DBADRM O=C(N[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C(F)F ZINC000951462032 808824832 /nfs/dbraw/zinc/82/48/32/808824832.db2.gz WCQHKICKLDFLEB-RXMQYKEDSA-N -1 0 317.252 -0.731 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000951513667 808834983 /nfs/dbraw/zinc/83/49/83/808834983.db2.gz ZDRAQJCYUGZIID-AEJSXWLSSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000951626842 808865887 /nfs/dbraw/zinc/86/58/87/808865887.db2.gz KIMLSLKAQMNTRF-JTQLQIEISA-N -1 0 318.337 -0.802 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC000951648723 808871616 /nfs/dbraw/zinc/87/16/16/808871616.db2.gz DOZSLCTZNIMABR-ZNSHCXBVSA-N -1 0 320.349 -0.353 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)c3cnon3)C2)c1[O-] ZINC000951771323 808897071 /nfs/dbraw/zinc/89/70/71/808897071.db2.gz BPQVBFBPTHEUFK-QMMMGPOBSA-N -1 0 320.309 -0.159 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2ccnnc2)c1[O-] ZINC000952239158 808975885 /nfs/dbraw/zinc/97/58/85/808975885.db2.gz GSDQLOCKLCIMSQ-JTQLQIEISA-N -1 0 316.321 -0.142 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC000952244290 808977143 /nfs/dbraw/zinc/97/71/43/808977143.db2.gz IWQPDHBAPATQQC-RKDXNWHRSA-N -1 0 321.337 -0.794 20 0 DBADRM CCN(C(=O)c1c[n-]n2c1nccc2=O)C1CN(C[C@@H](C)O)C1 ZINC000952417832 808989103 /nfs/dbraw/zinc/98/91/03/808989103.db2.gz DDEFMLSOTCSKTN-SNVBAGLBSA-N -1 0 319.365 -0.450 20 0 DBADRM CC(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC000952816877 809005336 /nfs/dbraw/zinc/00/53/36/809005336.db2.gz CAWGTGYNPGAZQN-CQSZACIVSA-N -1 0 321.337 -0.243 20 0 DBADRM Cc1n[nH]c(C)c1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038828716 815254161 /nfs/dbraw/zinc/25/41/61/815254161.db2.gz DJEBMVSRJCEDGX-VIFPVBQESA-N -1 0 305.342 -0.145 20 0 DBADRM CC(=O)N1CC[C@]2(CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000953021126 809013968 /nfs/dbraw/zinc/01/39/68/809013968.db2.gz ZWRKNRMSOWFQDC-ZDUSSCGKSA-N -1 0 309.326 -0.840 20 0 DBADRM CCC(=O)N1CC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000953387076 809038277 /nfs/dbraw/zinc/03/82/77/809038277.db2.gz SCZBYJITNVEMPT-ZJUUUORDSA-N -1 0 323.353 -0.451 20 0 DBADRM CC(=O)N1CC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000953392847 809038443 /nfs/dbraw/zinc/03/84/43/809038443.db2.gz XLOTYRXTBJXDKI-NXEZZACHSA-N -1 0 309.326 -0.841 20 0 DBADRM CC(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000953392851 809038462 /nfs/dbraw/zinc/03/84/62/809038462.db2.gz XLOTYRXTBJXDKI-VHSXEESVSA-N -1 0 309.326 -0.841 20 0 DBADRM CC(=O)N1CC[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000953416399 809041447 /nfs/dbraw/zinc/04/14/47/809041447.db2.gz UAJKRUMSRIBVDM-RKDXNWHRSA-N -1 0 307.310 -0.634 20 0 DBADRM CN(C(=O)C1CC1)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000953477020 809050101 /nfs/dbraw/zinc/05/01/01/809050101.db2.gz IQVUOASXMMWNDR-UHFFFAOYSA-N -1 0 306.322 -0.821 20 0 DBADRM CN(C(=O)C1CCCC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000953489312 809051841 /nfs/dbraw/zinc/05/18/41/809051841.db2.gz SYOWFGWIMNLSLU-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM CC(=O)N[C@@H](C)[C@@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000953633497 809059315 /nfs/dbraw/zinc/05/93/15/809059315.db2.gz GQXPTMVGUCINOE-CBAPKCEASA-N -1 0 309.326 -0.198 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000953628872 809059557 /nfs/dbraw/zinc/05/95/57/809059557.db2.gz RKBAFDYTTGGOFL-VXNVDRBHSA-N -1 0 309.326 -0.986 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000953635582 809059729 /nfs/dbraw/zinc/05/97/29/809059729.db2.gz KLNSTWRCDPVBPW-PSASIEDQSA-N -1 0 320.349 -0.575 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000953628871 809059881 /nfs/dbraw/zinc/05/98/81/809059881.db2.gz RKBAFDYTTGGOFL-IONNQARKSA-N -1 0 309.326 -0.986 20 0 DBADRM CC(=O)N[C@@H](C)[C@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000953637883 809060505 /nfs/dbraw/zinc/06/05/05/809060505.db2.gz PMXNTGHNMWWXMS-WCBMZHEXSA-N -1 0 311.342 -0.405 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)[C@@H]3CCCO3)C2)c1[O-] ZINC000953666654 809066931 /nfs/dbraw/zinc/06/69/31/809066931.db2.gz AIZLHJOWUIDAEI-JTQLQIEISA-N -1 0 308.338 -0.114 20 0 DBADRM CC(=O)N(C)C1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000953669169 809067999 /nfs/dbraw/zinc/06/79/99/809067999.db2.gz HDYJGOSWTYPJMA-UHFFFAOYSA-N -1 0 308.338 -0.431 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)[C@H]3COCCO3)C2)c1[O-] ZINC000953769292 809082308 /nfs/dbraw/zinc/08/23/08/809082308.db2.gz GTPYVBHVZVGJTO-SNVBAGLBSA-N -1 0 324.337 -0.878 20 0 DBADRM CN(C(=O)C1CC=CC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000953932272 809131071 /nfs/dbraw/zinc/13/10/71/809131071.db2.gz IIAYEPKQQXCQNZ-UHFFFAOYSA-N -1 0 319.321 -0.468 20 0 DBADRM Cn1cccc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)c1=O ZINC001038928044 815268866 /nfs/dbraw/zinc/26/88/66/815268866.db2.gz HTNCRANTLHYKGZ-VIFPVBQESA-N -1 0 318.337 -0.787 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3cnccn3)C2)c1[O-] ZINC000954068170 809153720 /nfs/dbraw/zinc/15/37/20/809153720.db2.gz IFVFNJVTOSQESH-UHFFFAOYSA-N -1 0 316.321 -0.190 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3cc[nH]n3)C2)c1[O-] ZINC000954068057 809153901 /nfs/dbraw/zinc/15/39/01/809153901.db2.gz FKFPTLHSNUZDEA-UHFFFAOYSA-N -1 0 304.310 -0.257 20 0 DBADRM CN(C(=O)[C@H]1CC1(C)C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954082785 809156593 /nfs/dbraw/zinc/15/65/93/809156593.db2.gz FXJCZRZIBRORRN-SECBINFHSA-N -1 0 323.353 -0.595 20 0 DBADRM CN(C(=O)c1ncccc1O)C1CN(C(=O)Cc2nnc[nH]2)C1 ZINC000954125213 809167631 /nfs/dbraw/zinc/16/76/31/809167631.db2.gz GPMRLIXEUNDHJZ-UHFFFAOYSA-N -1 0 316.321 -0.569 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3cnnn3C)C2)c1[O-] ZINC000954184484 809178961 /nfs/dbraw/zinc/17/89/61/809178961.db2.gz HMVQMZLYROPNGL-UHFFFAOYSA-N -1 0 319.325 -0.851 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038936410 815269838 /nfs/dbraw/zinc/26/98/38/815269838.db2.gz NJEYNJAGCPQFGP-QWRGUYRKSA-N -1 0 322.369 -0.788 20 0 DBADRM CC(=O)N1CC[C@@H](C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001038969927 815274028 /nfs/dbraw/zinc/27/40/28/815274028.db2.gz GJMDIBXFJGXOMQ-GHMZBOCLSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954876765 809304522 /nfs/dbraw/zinc/30/45/22/809304522.db2.gz GZHYYLNMMNFZSY-HTRCEHHLSA-N -1 0 307.310 -0.778 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C(C)(C)F)C1 ZINC000954876683 809304559 /nfs/dbraw/zinc/30/45/59/809304559.db2.gz FCEIODNGUAZBEJ-UHFFFAOYSA-N -1 0 313.289 -0.686 20 0 DBADRM CC[C@@H](F)C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954877002 809304847 /nfs/dbraw/zinc/30/48/47/809304847.db2.gz JJVISIATPVBTFC-SSDOTTSWSA-N -1 0 313.289 -0.686 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C2(C)CCC2)C1 ZINC000954877025 809304957 /nfs/dbraw/zinc/30/49/57/809304957.db2.gz KGECUXWWXWOTLR-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C2(C)CCC2)C1 ZINC000954934395 809311472 /nfs/dbraw/zinc/31/14/72/809311472.db2.gz AGIBXRIBAZTRFJ-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C(C)(C)C)C1 ZINC000954933671 809311545 /nfs/dbraw/zinc/31/15/45/809311545.db2.gz GYPXQFRQWIKKFI-UHFFFAOYSA-N -1 0 311.342 -0.595 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C=C2CCC2)C1 ZINC000954934195 809311553 /nfs/dbraw/zinc/31/15/53/809311553.db2.gz WGDQILBUMVWGQV-UHFFFAOYSA-N -1 0 321.337 -0.531 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)c2cc[nH]c2)C1 ZINC000954938960 809312644 /nfs/dbraw/zinc/31/26/44/809312644.db2.gz QQZKPSGQWNDJGM-UHFFFAOYSA-N -1 0 320.309 -1.000 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C2(C)CC2)C1 ZINC000954938788 809312702 /nfs/dbraw/zinc/31/27/02/809312702.db2.gz MKGSXEWVVSQDKD-UHFFFAOYSA-N -1 0 309.326 -0.841 20 0 DBADRM CN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(C(=O)C(F)F)C1 ZINC000954951527 809316929 /nfs/dbraw/zinc/31/69/29/809316929.db2.gz XYQFQVBENFSHLI-UHFFFAOYSA-N -1 0 316.264 -0.966 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000955216578 809379736 /nfs/dbraw/zinc/37/97/36/809379736.db2.gz MWRJHUDHASXOIS-JGVFFNPUSA-N -1 0 321.337 -0.388 20 0 DBADRM CN(C(=O)C(C)(C)C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000955270665 809386753 /nfs/dbraw/zinc/38/67/53/809386753.db2.gz UGEBVSJTOBIRAQ-UHFFFAOYSA-N -1 0 309.326 -0.388 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000955401457 809411711 /nfs/dbraw/zinc/41/17/11/809411711.db2.gz XSEHTVKVMNTEPL-VXNVDRBHSA-N -1 0 321.337 -0.388 20 0 DBADRM CN(C(=O)[C@H]1CC12CC2)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000955430502 809414322 /nfs/dbraw/zinc/41/43/22/809414322.db2.gz FCJCXDUZQAZIJQ-SECBINFHSA-N -1 0 321.337 -0.841 20 0 DBADRM CN1C[C@H](C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)CCC1=O ZINC001039060589 815289066 /nfs/dbraw/zinc/28/90/66/815289066.db2.gz UDYKTPXPIUBWRN-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC000955736077 809439887 /nfs/dbraw/zinc/43/98/87/809439887.db2.gz SHBRVSJQJKDUJT-PSASIEDQSA-N -1 0 323.353 -0.269 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](C)C1 ZINC000955762067 809442026 /nfs/dbraw/zinc/44/20/26/809442026.db2.gz PZMMGJFJZCCHEJ-IUCAKERBSA-N -1 0 311.342 -0.405 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C2CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000955763563 809442492 /nfs/dbraw/zinc/44/24/92/809442492.db2.gz VJJCJLXSJZZBLH-WCBMZHEXSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(=O)NC[C@@H]1CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000956150239 809491422 /nfs/dbraw/zinc/49/14/22/809491422.db2.gz YLCFIFSKKHYQIF-JTQLQIEISA-N -1 0 318.337 -0.802 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)c2cnon2)c1[O-] ZINC000956170802 809494091 /nfs/dbraw/zinc/49/40/91/809494091.db2.gz ZOEYLAJUCZXFHN-QMMMGPOBSA-N -1 0 320.309 -0.159 20 0 DBADRM C[C@]1(NC(=O)C2CC2)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000956616695 809530878 /nfs/dbraw/zinc/53/08/78/809530878.db2.gz FVRWFEZIWLSCAA-ZDUSSCGKSA-N -1 0 309.326 -0.794 20 0 DBADRM C[C@@]1(NC(=O)C2CCC2)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000956624572 809531460 /nfs/dbraw/zinc/53/14/60/809531460.db2.gz HCQYHYPLXPAIIT-CQSZACIVSA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(C(=O)c3cn[nH]n3)C2)c1[O-] ZINC000956822681 809554032 /nfs/dbraw/zinc/55/40/32/809554032.db2.gz HWRRHDZKQULDGH-ZDUSSCGKSA-N -1 0 319.325 -0.424 20 0 DBADRM CCN(C(=O)[C@@H]1C[C@@]12CCOC2)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000957111068 809587650 /nfs/dbraw/zinc/58/76/50/809587650.db2.gz AWLHSCPGXUUXJL-XHDPSFHLSA-N -1 0 321.381 -0.030 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957236119 809608270 /nfs/dbraw/zinc/60/82/70/809608270.db2.gz SUYKUWOQXYVSEC-WGZSSWNPSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@]1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(C(=O)CC2CC2)C1 ZINC000957235174 809608279 /nfs/dbraw/zinc/60/82/79/809608279.db2.gz WUYBCFGCNMVBIO-AWEZNQCLSA-N -1 0 321.337 -0.196 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000957315087 809622111 /nfs/dbraw/zinc/62/21/11/809622111.db2.gz WVNBUGJHFOIKSP-UHFFFAOYSA-N -1 0 319.321 -0.568 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000957314614 809622266 /nfs/dbraw/zinc/62/22/66/809622266.db2.gz LXLWWOLHNXSZOJ-UHFFFAOYSA-N -1 0 305.294 -0.829 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000957361657 809632459 /nfs/dbraw/zinc/63/24/59/809632459.db2.gz HMLWJYQQVZMWLM-FNCVBFRFSA-N -1 0 321.337 -0.485 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@](C)(NC(=O)c3cnon3)C2)c1[O-] ZINC000957400835 809637358 /nfs/dbraw/zinc/63/73/58/809637358.db2.gz UWFOLJUSRZUHCC-ZDUSSCGKSA-N -1 0 320.309 -0.159 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(Cc2cccnc2)CC1 ZINC000957472461 809648083 /nfs/dbraw/zinc/64/80/83/809648083.db2.gz BOFKHTJCZPJASG-UHFFFAOYSA-N -1 0 318.337 -0.571 20 0 DBADRM O=C(C[C@H]1CCCOC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957685813 809665501 /nfs/dbraw/zinc/66/55/01/809665501.db2.gz TWZJHYFVSWNCIX-LLVKDONJSA-N -1 0 309.370 -0.029 20 0 DBADRM Cn1cc(CCC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC000957765637 809671342 /nfs/dbraw/zinc/67/13/42/809671342.db2.gz JIDMZPVMSGIEHI-UHFFFAOYSA-N -1 0 319.369 -0.479 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C)c1[O-] ZINC000957778731 809672124 /nfs/dbraw/zinc/67/21/24/809672124.db2.gz HPUKZMLQHDSAGI-HTRCEHHLSA-N -1 0 319.325 -0.568 20 0 DBADRM CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC000957836147 809687767 /nfs/dbraw/zinc/68/77/67/809687767.db2.gz BEOXGQVOTTWLLQ-CIUDSAMLSA-N -1 0 307.310 -0.588 20 0 DBADRM CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC000957836148 809687859 /nfs/dbraw/zinc/68/78/59/809687859.db2.gz BEOXGQVOTTWLLQ-YIZRAAEISA-N -1 0 307.310 -0.588 20 0 DBADRM Cc1ccc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)o1 ZINC000957851944 809691393 /nfs/dbraw/zinc/69/13/93/809691393.db2.gz PGCBJHUBODJUEX-ZJUUUORDSA-N -1 0 321.337 -0.366 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccsc1 ZINC000957859650 809694628 /nfs/dbraw/zinc/69/46/28/809694628.db2.gz SJAOTSAGNKZJQB-UWVGGRQHSA-N -1 0 323.378 -0.206 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccc[nH]1 ZINC000957869950 809698103 /nfs/dbraw/zinc/69/81/03/809698103.db2.gz YECIRSOUGYTKFV-WPRPVWTQSA-N -1 0 306.326 -0.939 20 0 DBADRM Cn1cccc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000957878390 809698957 /nfs/dbraw/zinc/69/89/57/809698957.db2.gz LLUYAUZVYQJTCB-KOLCDFICSA-N -1 0 320.353 -0.929 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cncs1 ZINC000957911509 809715529 /nfs/dbraw/zinc/71/55/29/809715529.db2.gz QVZUEPPOMHULQQ-JGVFFNPUSA-N -1 0 324.366 -0.811 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1=COCCC1 ZINC000957925781 809719994 /nfs/dbraw/zinc/71/99/94/809719994.db2.gz GKBNYHGXQSMVGQ-MNOVXSKESA-N -1 0 323.353 -0.887 20 0 DBADRM Cc1[nH]ccc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000957947688 809726287 /nfs/dbraw/zinc/72/62/87/809726287.db2.gz MRHDIIXMRNUFFY-GXSJLCMTSA-N -1 0 320.353 -0.630 20 0 DBADRM Cc1cc[nH]c1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000958025426 809746008 /nfs/dbraw/zinc/74/60/08/809746008.db2.gz SDGCSURZRRAVDR-ZJUUUORDSA-N -1 0 320.353 -0.630 20 0 DBADRM Cc1cc[nH]c1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958025423 809746301 /nfs/dbraw/zinc/74/63/01/809746301.db2.gz SDGCSURZRRAVDR-NXEZZACHSA-N -1 0 320.353 -0.630 20 0 DBADRM CC1(C)CC(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C1 ZINC000958048168 809751329 /nfs/dbraw/zinc/75/13/29/809751329.db2.gz ZCOPSPDAWCNHMB-QWRGUYRKSA-N -1 0 323.397 -0.145 20 0 DBADRM CC1(C)CC(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C1 ZINC000958048167 809751626 /nfs/dbraw/zinc/75/16/26/809751626.db2.gz ZCOPSPDAWCNHMB-MNOVXSKESA-N -1 0 323.397 -0.145 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cc[nH]c1 ZINC000958085773 809763866 /nfs/dbraw/zinc/76/38/66/809763866.db2.gz JOXCGGCOGPXDGJ-VHSXEESVSA-N -1 0 306.326 -0.939 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccns1 ZINC000958116504 809771738 /nfs/dbraw/zinc/77/17/38/809771738.db2.gz DVHZJPFNPPVNAO-YUMQZZPRSA-N -1 0 324.366 -0.811 20 0 DBADRM Cc1coc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1 ZINC000958324620 809862561 /nfs/dbraw/zinc/86/25/61/809862561.db2.gz KSLRXHVHXQUCSK-VHSXEESVSA-N -1 0 321.337 -0.366 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ccnc(F)c1 ZINC000958371170 809881998 /nfs/dbraw/zinc/88/19/98/809881998.db2.gz VCIORDLUWDKCMV-GDGBQDQQSA-N -1 0 318.312 -0.095 20 0 DBADRM O=C(CC1CCOCC1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958434927 809910462 /nfs/dbraw/zinc/91/04/62/809910462.db2.gz DWADIEJRSKVIMA-YABSGUDNSA-N -1 0 321.381 -0.127 20 0 DBADRM O=C(NC[C@@H]1CN(CCF)C[C@H]1O)c1c[n-]n2c1nccc2=O ZINC000958468515 809922558 /nfs/dbraw/zinc/92/25/58/809922558.db2.gz YWEVEBWCPCZFPS-MWLCHTKSSA-N -1 0 323.328 -0.985 20 0 DBADRM CCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000958988824 810076071 /nfs/dbraw/zinc/07/60/71/810076071.db2.gz VSVWXSHJTPLIAV-ZJUUUORDSA-N -1 0 322.365 -0.137 20 0 DBADRM CCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000959299988 810094038 /nfs/dbraw/zinc/09/40/38/810094038.db2.gz ZVSWFGGAOXVLBI-JGVFFNPUSA-N -1 0 309.326 -0.483 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C)c1[O-] ZINC000959408529 810099335 /nfs/dbraw/zinc/09/93/35/810099335.db2.gz FOXSEUGXOWAGSO-VXNVDRBHSA-N -1 0 323.353 -0.877 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1CNC(=O)C1CC1 ZINC000959531334 810108147 /nfs/dbraw/zinc/10/81/47/810108147.db2.gz OCYFGURFUQCVCI-WPRPVWTQSA-N -1 0 323.353 -0.690 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)C1CC1 ZINC000959536455 810108299 /nfs/dbraw/zinc/10/82/99/810108299.db2.gz RFZRCDKDCLOUKM-VXNVDRBHSA-N -1 0 321.337 -0.483 20 0 DBADRM CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC000959740193 810119567 /nfs/dbraw/zinc/11/95/67/810119567.db2.gz IIMPLQPJQNEKCJ-ILWJIGKKSA-N -1 0 321.337 -0.198 20 0 DBADRM CC(=O)NC[C@H]1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000959751180 810120113 /nfs/dbraw/zinc/12/01/13/810120113.db2.gz DCSRAOUPBIVIBP-MGCOHNPYSA-N -1 0 323.353 -0.045 20 0 DBADRM CCC(=O)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC000959767702 810120119 /nfs/dbraw/zinc/12/01/19/810120119.db2.gz CTZZDDXVRIFNFM-DTORHVGOSA-N -1 0 309.326 -0.984 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)[C@H]1COC(=O)N1 ZINC000960597073 810185902 /nfs/dbraw/zinc/18/59/02/810185902.db2.gz OHFVLJNNAAJGQQ-DTWKUNHWSA-N -1 0 324.341 -0.959 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)c1ncc[nH]1 ZINC000960631891 810189063 /nfs/dbraw/zinc/18/90/63/810189063.db2.gz OZISWYFQKDMCDM-VIFPVBQESA-N -1 0 305.342 -0.030 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)[C@]12C[C@H]1COC2 ZINC000960651739 810190194 /nfs/dbraw/zinc/19/01/94/810190194.db2.gz CEROGYRYJFPWMR-PGUXBMHVSA-N -1 0 321.381 -0.030 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC000960967287 810215431 /nfs/dbraw/zinc/21/54/31/810215431.db2.gz XIYGNSWHPVWDLL-SECBINFHSA-N -1 0 320.357 -0.706 20 0 DBADRM CC(C)C(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC000961035722 810218223 /nfs/dbraw/zinc/21/82/23/810218223.db2.gz OVMXPKJWBXXJAQ-DTORHVGOSA-N -1 0 321.337 -0.531 20 0 DBADRM CCc1ncoc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000961719573 810353715 /nfs/dbraw/zinc/35/37/15/810353715.db2.gz DLXYJCWCFFALJS-VROVMSAKSA-N -1 0 318.337 -0.079 20 0 DBADRM CCc1oncc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000961916051 810401348 /nfs/dbraw/zinc/40/13/48/810401348.db2.gz VNWFPOFATFPZGS-GDGBQDQQSA-N -1 0 318.337 -0.079 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)[C@H](C)C3CC3)[C@@H](O)C2)c1[O-] ZINC000962101124 810444504 /nfs/dbraw/zinc/44/45/04/810444504.db2.gz FMXKATOZLYNHSF-ONOSFVFSSA-N -1 0 322.365 -0.229 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ncccn1 ZINC000962109108 810447180 /nfs/dbraw/zinc/44/71/80/810447180.db2.gz AADFAPRSCQPBIK-MBTKJCJQSA-N -1 0 301.310 -0.840 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1nccs1 ZINC000962117523 810449586 /nfs/dbraw/zinc/44/95/86/810449586.db2.gz NNGVWHCLMAZROJ-QMSLJYSESA-N -1 0 306.351 -0.173 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C3=CCCC3)[C@@H](O)C2)c1[O-] ZINC000962232378 810480067 /nfs/dbraw/zinc/48/00/67/810480067.db2.gz UFHRQFQZNICLNB-MNOVXSKESA-N -1 0 320.349 -0.164 20 0 DBADRM C/C=C(/C)C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC000962302190 810502050 /nfs/dbraw/zinc/50/20/50/810502050.db2.gz FWXHIYKBFRVFSE-UPINEFLWSA-N -1 0 308.338 -0.309 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C3CC3)C[C@@H]2O)c1[O-] ZINC000962303696 810502959 /nfs/dbraw/zinc/50/29/59/810502959.db2.gz PCTMSBIHQJZNQW-ONOSFVFSSA-N -1 0 322.365 -0.229 20 0 DBADRM CCC1(C(=O)N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)CC1 ZINC000962306418 810503218 /nfs/dbraw/zinc/50/32/18/810503218.db2.gz CCZCYWSPRJIEGP-ZJUUUORDSA-N -1 0 322.365 -0.085 20 0 DBADRM CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000962530904 810544977 /nfs/dbraw/zinc/54/49/77/810544977.db2.gz FHQDIFHCDSSAEW-NXEZZACHSA-N -1 0 309.326 -0.699 20 0 DBADRM CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000962530907 810544985 /nfs/dbraw/zinc/54/49/85/810544985.db2.gz FHQDIFHCDSSAEW-VHSXEESVSA-N -1 0 309.326 -0.699 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)C(N)=O)c1[O-] ZINC000962907838 810594773 /nfs/dbraw/zinc/59/47/73/810594773.db2.gz CXNJCAXSKUCFEN-IUCAKERBSA-N -1 0 321.337 -0.885 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)c1[O-] ZINC000963506755 810633249 /nfs/dbraw/zinc/63/32/49/810633249.db2.gz BPRJGZHSWVYHOD-DTWKUNHWSA-N -1 0 321.337 -0.885 20 0 DBADRM CC(=O)N1CCC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000963605564 810646174 /nfs/dbraw/zinc/64/61/74/810646174.db2.gz LEEQSSOQZOLOPS-VHSXEESVSA-N -1 0 309.326 -0.841 20 0 DBADRM CCC(=O)N1C[C@@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000963788726 810661746 /nfs/dbraw/zinc/66/17/46/810661746.db2.gz ZCOIIBHGSNVCMH-DTWKUNHWSA-N -1 0 321.337 -0.244 20 0 DBADRM CC(=O)NC[C@H]1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000963987836 810671979 /nfs/dbraw/zinc/67/19/79/810671979.db2.gz IVUIAUCLEJNMAD-XYPYZODXSA-N -1 0 322.365 -0.089 20 0 DBADRM CC(=O)NC[C@@H]1COCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000964051630 810684340 /nfs/dbraw/zinc/68/43/40/810684340.db2.gz UYQNFLRNWYBGCO-SECBINFHSA-N -1 0 320.305 -0.095 20 0 DBADRM CCC(=O)N1CCC2(C[C@H]2NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000964482461 810779942 /nfs/dbraw/zinc/77/99/42/810779942.db2.gz ULAFCLNJFTXVHR-MRVPVSSYSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(N[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1)C1CC1 ZINC000964657942 810793842 /nfs/dbraw/zinc/79/38/42/810793842.db2.gz CJQLLICKTQAHHI-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnccn1 ZINC000964778410 810800709 /nfs/dbraw/zinc/80/07/09/810800709.db2.gz YQKMSARIBMWHMM-MWLCHTKSSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cnn(C)c1 ZINC000965032881 810820608 /nfs/dbraw/zinc/82/06/08/810820608.db2.gz MMYXKVSRXWZUFJ-KOLCDFICSA-N -1 0 319.369 -0.116 20 0 DBADRM O=C(N[C@@H]1CCCN(C(=O)C2CC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC000965053636 810824396 /nfs/dbraw/zinc/82/43/96/810824396.db2.gz IBDTWLAQMCCOBG-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(N[C@H]1CCCN(C(=O)C2CC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC000965053637 810824497 /nfs/dbraw/zinc/82/44/97/810824497.db2.gz IBDTWLAQMCCOBG-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM COCC(=O)N1CC2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])CCO2 ZINC000965352785 810867756 /nfs/dbraw/zinc/86/77/56/810867756.db2.gz GYZYPNCVCROWLN-UHFFFAOYSA-N -1 0 324.337 -0.876 20 0 DBADRM CC(=O)N1CC2(C1)CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])O2 ZINC000965531218 810899992 /nfs/dbraw/zinc/89/99/92/810899992.db2.gz JKAATGYWDMPFGY-SNVBAGLBSA-N -1 0 308.338 -0.067 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2COC3(CN(C(=O)C4CC4)C3)C2)c1[O-] ZINC000965678246 810936338 /nfs/dbraw/zinc/93/63/38/810936338.db2.gz XPHDYBBVWCYLPL-JTQLQIEISA-N -1 0 320.349 -0.067 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C3(C)CC3)[C@@H](O)C2)c1[O-] ZINC000965903573 810983082 /nfs/dbraw/zinc/98/30/82/810983082.db2.gz FUHPUZWIYGMKMU-BDAKNGLRSA-N -1 0 308.338 -0.475 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cn(C)cn1 ZINC000965905148 810984243 /nfs/dbraw/zinc/98/42/43/810984243.db2.gz FZDMBNMSLSJCPU-UWVGGRQHSA-N -1 0 319.369 -0.116 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cn(C)nn1 ZINC000965986015 811001089 /nfs/dbraw/zinc/00/10/89/811001089.db2.gz VIXRAOAUVWOJKQ-IUCAKERBSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ncn(C)n1 ZINC000965995580 811002185 /nfs/dbraw/zinc/00/21/85/811002185.db2.gz HAEHXQGMVGZBAG-IUCAKERBSA-N -1 0 320.357 -0.721 20 0 DBADRM CCC(=O)N1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](C)C1 ZINC000966010810 811004099 /nfs/dbraw/zinc/00/40/99/811004099.db2.gz DHAAHKSXOKHKJF-WPRPVWTQSA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000966040854 811007441 /nfs/dbraw/zinc/00/74/41/811007441.db2.gz BRTVWWYRVVIBLA-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@H]1CN(C(=O)CC2CC2)C[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000966040855 811008045 /nfs/dbraw/zinc/00/80/45/811008045.db2.gz BRTVWWYRVVIBLA-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000966069179 811011676 /nfs/dbraw/zinc/01/16/76/811011676.db2.gz SBKIXFKOCMRXRS-SFYZADRCSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(C)=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000966112137 811015439 /nfs/dbraw/zinc/01/54/39/811015439.db2.gz GOGXDAUMZDZADB-ZJUUUORDSA-N -1 0 323.353 -0.381 20 0 DBADRM CC(C)=CC(=O)N1C[C@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000966114985 811015626 /nfs/dbraw/zinc/01/56/26/811015626.db2.gz XTTSYLSGDCKBBH-DTWKUNHWSA-N -1 0 321.337 -0.174 20 0 DBADRM CC(C)C(=O)N1C[C@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000966179579 811028655 /nfs/dbraw/zinc/02/86/55/811028655.db2.gz QUEODFXGUPTRCJ-DTWKUNHWSA-N -1 0 311.342 -0.692 20 0 DBADRM C[C@H]1CN(C(=O)C2(C)CC2)C[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000966487017 811084152 /nfs/dbraw/zinc/08/41/52/811084152.db2.gz GCOJINNSTYUNJH-IUCAKERBSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2C)c1[O-] ZINC000966574942 811099735 /nfs/dbraw/zinc/09/97/35/811099735.db2.gz SRFNCCMIBAVFSC-IMTBSYHQSA-N -1 0 319.325 -0.568 20 0 DBADRM CCC(=O)N[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC000966587519 811104190 /nfs/dbraw/zinc/10/41/90/811104190.db2.gz ZQTRIJPXJXHKQC-WCBMZHEXSA-N -1 0 323.353 -0.412 20 0 DBADRM CCC(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC000966657661 811115498 /nfs/dbraw/zinc/11/54/98/811115498.db2.gz AFUZHUFKEXZUGF-WCBMZHEXSA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1(C)CC1 ZINC000966654267 811115738 /nfs/dbraw/zinc/11/57/38/811115738.db2.gz WAUBBRKFGUNSEW-DTWKUNHWSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C)c1[O-] ZINC000966681322 811120589 /nfs/dbraw/zinc/12/05/89/811120589.db2.gz HPUKZMLQHDSAGI-POYBYMJQSA-N -1 0 319.325 -0.568 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C(N)=O)CC2(C)C)c1[O-] ZINC000967004733 811188964 /nfs/dbraw/zinc/18/89/64/811188964.db2.gz OFWQGVUPELOZLL-QMMMGPOBSA-N -1 0 323.353 -0.734 20 0 DBADRM CCC(=O)N1CC(N2CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)C1 ZINC000967201744 811222369 /nfs/dbraw/zinc/22/23/69/811222369.db2.gz HDTJQVWOOPJVMK-UHFFFAOYSA-N -1 0 321.381 -0.198 20 0 DBADRM CC(=O)N1CCC[C@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000967606033 811267814 /nfs/dbraw/zinc/26/78/14/811267814.db2.gz ZZDILDWVPRLWLQ-NSHDSACASA-N -1 0 322.365 -0.041 20 0 DBADRM CC(=O)N1CCC[C@@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000967606032 811267825 /nfs/dbraw/zinc/26/78/25/811267825.db2.gz ZZDILDWVPRLWLQ-LLVKDONJSA-N -1 0 322.365 -0.041 20 0 DBADRM CC(=O)N1CCC[C@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000967609054 811268865 /nfs/dbraw/zinc/26/88/65/811268865.db2.gz UUJXPPSDMAIRLH-JTQLQIEISA-N -1 0 311.342 -0.451 20 0 DBADRM CC(=O)N1CCC[C@@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000967609055 811268883 /nfs/dbraw/zinc/26/88/83/811268883.db2.gz UUJXPPSDMAIRLH-SNVBAGLBSA-N -1 0 311.342 -0.451 20 0 DBADRM CC[C@@H](F)C(=O)N1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC000967738428 811288469 /nfs/dbraw/zinc/28/84/69/811288469.db2.gz SHZOKGOOVCZKKK-BBBLOLIVSA-N -1 0 312.301 -0.768 20 0 DBADRM CCN(C(=O)[C@H]1C[C@H]1C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000967754623 811290735 /nfs/dbraw/zinc/29/07/35/811290735.db2.gz IXWFFRMAGQKRNY-SCZZXKLOSA-N -1 0 323.353 -0.595 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(C(=O)c2cnon2)C1 ZINC000967880891 811313512 /nfs/dbraw/zinc/31/35/12/811313512.db2.gz BIKVJZKVELBOJO-UHFFFAOYSA-N -1 0 320.309 -0.207 20 0 DBADRM CCCC(=O)N1CC(N(CC)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000968208844 811362364 /nfs/dbraw/zinc/36/23/64/811362364.db2.gz AMIGUUIXDVWJSI-UHFFFAOYSA-N -1 0 322.365 -0.041 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ccnnc1 ZINC000968357285 811392906 /nfs/dbraw/zinc/39/29/06/811392906.db2.gz KTGTYILJAXJAIW-ONGXEEELSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cc1c[nH]cn1 ZINC000968361374 811393176 /nfs/dbraw/zinc/39/31/76/811393176.db2.gz WDYHHCIPKNRTTB-ONGXEEELSA-N -1 0 319.369 -0.197 20 0 DBADRM Cn1nnc(CN[C@@H]2CCN(C(=O)c3ncccc3O)C2)n1 ZINC000968478312 811422254 /nfs/dbraw/zinc/42/22/54/811422254.db2.gz OMAYFPPQYONAFD-SECBINFHSA-N -1 0 303.326 -0.685 20 0 DBADRM Cc1cc(C(=O)N2CC[C@@H](NCc3nc(=O)n(C)[nH]3)C2)ns1 ZINC000968515618 811430691 /nfs/dbraw/zinc/43/06/91/811430691.db2.gz ATGQOCMSDCOXRV-SECBINFHSA-N -1 0 322.394 -0.122 20 0 DBADRM Cc1ccnc(C(=O)N2CC[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000968546184 811438513 /nfs/dbraw/zinc/43/85/13/811438513.db2.gz VHRFMLAVDIGTOG-SECBINFHSA-N -1 0 303.326 -0.387 20 0 DBADRM CNC(=O)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cnc[nH]c1=O ZINC000968906682 811512415 /nfs/dbraw/zinc/51/24/15/811512415.db2.gz CKYSHPYJJJGKJO-NSHDSACASA-N -1 0 321.381 -0.097 20 0 DBADRM COC1CC(C(=O)N2CC[C@@H](NCc3nc(=O)n(C)[nH]3)C2)C1 ZINC000969023996 811535753 /nfs/dbraw/zinc/53/57/53/811535753.db2.gz YQVVJHHSHPXETH-HSOILSAZSA-N -1 0 309.370 -0.776 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)Cc3cnn(C)c3)C2)c1[O-] ZINC000990436774 811637633 /nfs/dbraw/zinc/63/76/33/811637633.db2.gz KMLMTGRKQVQMQY-UHFFFAOYSA-N -1 0 318.337 -0.659 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cccc(=O)[nH]3)C2)c1[O-] ZINC000990650442 811737919 /nfs/dbraw/zinc/73/79/19/811737919.db2.gz OTIQEOGQONJFAP-UHFFFAOYSA-N -1 0 317.305 -0.221 20 0 DBADRM CC1CC(C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000990749281 811751926 /nfs/dbraw/zinc/75/19/26/811751926.db2.gz OKZZOIKBWFDRAT-UHFFFAOYSA-N -1 0 307.310 -0.731 20 0 DBADRM CC1CC(C(=O)NC2CN(C(=O)c3cnc([O-])n(C)c3=O)C2)C1 ZINC000990750796 811752712 /nfs/dbraw/zinc/75/27/12/811752712.db2.gz MBHSPNXOTPYUCB-UHFFFAOYSA-N -1 0 320.349 -0.527 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)C2=CCCC2)C1 ZINC000990799412 811770263 /nfs/dbraw/zinc/77/02/63/811770263.db2.gz GZTVEKHKCCNHJO-UHFFFAOYSA-N -1 0 307.310 -0.873 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@H]3CCO[C@H]3C)C2)c1[O-] ZINC000990858663 811790731 /nfs/dbraw/zinc/79/07/31/811790731.db2.gz GRUZBGGDVDLFQT-WPRPVWTQSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1ncc(CC(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)o1 ZINC000990859439 811790830 /nfs/dbraw/zinc/79/08/30/811790830.db2.gz JSHFXMXJFGQTIZ-UHFFFAOYSA-N -1 0 319.321 -0.097 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)Cc3cnn(C)c3)C2)c1[O-] ZINC000990863174 811792521 /nfs/dbraw/zinc/79/25/21/811792521.db2.gz DCBFLFIFYKRPKH-UHFFFAOYSA-N -1 0 318.337 -0.659 20 0 DBADRM CCn1cc(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)nn1 ZINC000990863096 811792530 /nfs/dbraw/zinc/79/25/30/811792530.db2.gz OSMUXFJQLXPRJQ-UHFFFAOYSA-N -1 0 319.325 -0.710 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3conc3C)C2)c1[O-] ZINC000990863134 811792555 /nfs/dbraw/zinc/79/25/55/811792555.db2.gz PITRGEAKKYXWKM-UHFFFAOYSA-N -1 0 305.294 -0.025 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)C[C@H]3CCOC3)C2)c1[O-] ZINC000990864024 811792926 /nfs/dbraw/zinc/79/29/26/811792926.db2.gz STYAULUXAJPDQH-SECBINFHSA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)C[C@@H]3CCC(=O)N3)C2)c1[O-] ZINC000990864174 811793082 /nfs/dbraw/zinc/79/30/82/811793082.db2.gz KDPDJIIXYYUCPT-QMMMGPOBSA-N -1 0 321.337 -0.967 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@@H]3C[C@]34CCOC4)C2)c1[O-] ZINC000990863192 811793094 /nfs/dbraw/zinc/79/30/94/811793094.db2.gz QDQQCHMYZFZFMA-BONVTDFDSA-N -1 0 320.349 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cncnc3C)C2)c1[O-] ZINC000990864301 811793110 /nfs/dbraw/zinc/79/31/10/811793110.db2.gz LQPBDGNBIWSISC-UHFFFAOYSA-N -1 0 316.321 -0.223 20 0 DBADRM CCO[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990866207 811793711 /nfs/dbraw/zinc/79/37/11/811793711.db2.gz VWXAOBZKEYUNTC-VHSXEESVSA-N -1 0 308.338 -0.211 20 0 DBADRM COc1cc(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)on1 ZINC000990864968 811793744 /nfs/dbraw/zinc/79/37/44/811793744.db2.gz OKEDYZLOKAICPI-UHFFFAOYSA-N -1 0 321.293 -0.325 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)CC3(O)CCC3)C2)c1[O-] ZINC000990865537 811793764 /nfs/dbraw/zinc/79/37/64/811793764.db2.gz QJPZJJPOAQOESC-UHFFFAOYSA-N -1 0 308.338 -0.331 20 0 DBADRM CCO[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990866206 811794062 /nfs/dbraw/zinc/79/40/62/811794062.db2.gz VWXAOBZKEYUNTC-UWVGGRQHSA-N -1 0 308.338 -0.211 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990864970 811794194 /nfs/dbraw/zinc/79/41/94/811794194.db2.gz OKWHFDAHPQMVSO-DTWKUNHWSA-N -1 0 322.321 -0.827 20 0 DBADRM Cc1c[nH]c(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC000990869320 811794991 /nfs/dbraw/zinc/79/49/91/811794991.db2.gz XDBLJWIOMVRDCN-UHFFFAOYSA-N -1 0 304.310 -0.290 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cc(C)ncn3)C2)c1[O-] ZINC000990878955 811796769 /nfs/dbraw/zinc/79/67/69/811796769.db2.gz GQNMMZVWWOBBSI-UHFFFAOYSA-N -1 0 316.321 -0.223 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000990898324 811800774 /nfs/dbraw/zinc/80/07/74/811800774.db2.gz PQVZMSOVSBBLIS-QMMMGPOBSA-N -1 0 309.326 -0.938 20 0 DBADRM Cn1cc(CC(=O)N2CC(NC(=O)c3ncccc3O)C2)cn1 ZINC000990967623 811831709 /nfs/dbraw/zinc/83/17/09/811831709.db2.gz AGWVKCOKSOYPNW-UHFFFAOYSA-N -1 0 315.333 -0.296 20 0 DBADRM CCn1ccnc1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000991084674 811872550 /nfs/dbraw/zinc/87/25/50/811872550.db2.gz YUEJQHDMTBGEJK-UHFFFAOYSA-N -1 0 318.337 -0.105 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C(F)F)[C@H](O)C2)c1[O-] ZINC000991153579 811909793 /nfs/dbraw/zinc/90/97/93/811909793.db2.gz FBPUJIJVWSDVBP-RNFRBKRXSA-N -1 0 318.280 -0.620 20 0 DBADRM CCC(=O)N[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@H]1C ZINC001004271981 811968782 /nfs/dbraw/zinc/96/87/82/811968782.db2.gz HABVFERPFSLVPF-SFYZADRCSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N[C@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC[C@H]1C ZINC001004303160 811971290 /nfs/dbraw/zinc/97/12/90/811971290.db2.gz LXMTUXTVCNJYGN-KCJUWKMLSA-N -1 0 323.353 -0.412 20 0 DBADRM CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C2 ZINC001004897658 812013357 /nfs/dbraw/zinc/01/33/57/812013357.db2.gz PBVHFMWDWRYJFB-IEBDPFPHSA-N -1 0 306.322 -0.633 20 0 DBADRM CCC(=O)N1CC[C@H](C)[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001005083762 812028115 /nfs/dbraw/zinc/02/81/15/812028115.db2.gz FEPWEPOBDQRNJG-YUMQZZPRSA-N -1 0 309.326 -0.340 20 0 DBADRM CN(C(=O)c1cnn(C)c1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005091487 812029039 /nfs/dbraw/zinc/02/90/39/812029039.db2.gz HYKOTFXRIFJPKC-UHFFFAOYSA-N -1 0 319.369 -0.020 20 0 DBADRM CCC(=O)N1CC[C@H](C)[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001005116387 812030346 /nfs/dbraw/zinc/03/03/46/812030346.db2.gz OJGUVIFBWNOGMV-ONGXEEELSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)N1CCCCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001005473485 812070658 /nfs/dbraw/zinc/07/06/58/812070658.db2.gz FDXCESJFGZAMGE-VIFPVBQESA-N -1 0 309.326 -0.196 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001006008447 812143520 /nfs/dbraw/zinc/14/35/20/812143520.db2.gz REFVTLQGQIEMQE-ZJUUUORDSA-N -1 0 322.369 -0.946 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001006495006 812213272 /nfs/dbraw/zinc/21/32/72/812213272.db2.gz QMFADNATOCPMDW-BKPPORCPSA-N -1 0 321.337 -0.485 20 0 DBADRM CC[C@H](C)C(=O)N1CC([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006496898 812213568 /nfs/dbraw/zinc/21/35/68/812213568.db2.gz WSTFZBXDAPKJOA-JGVFFNPUSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C1CN(C(=O)C2CC2)C1 ZINC001006551811 812216671 /nfs/dbraw/zinc/21/66/71/812216671.db2.gz FQUQRBPIJYPLMO-MRVPVSSYSA-N -1 0 320.349 -0.527 20 0 DBADRM C[C@H](NC(=O)[C@H]1C[C@@H]1C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001006624395 812228869 /nfs/dbraw/zinc/22/88/69/812228869.db2.gz QPDVXZMBJOJEJZ-NRPADANISA-N -1 0 323.353 -0.692 20 0 DBADRM O=C(c1cn[nH]c1)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041105503 815516476 /nfs/dbraw/zinc/51/64/76/815516476.db2.gz SFKHSDNBZXLPTH-CQSZACIVSA-N -1 0 317.353 -0.028 20 0 DBADRM Cn1nccc1CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007225660 812280128 /nfs/dbraw/zinc/28/01/28/812280128.db2.gz HTCGZOMIIOWONT-SNVBAGLBSA-N -1 0 319.369 -0.433 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007312124 812295898 /nfs/dbraw/zinc/29/58/98/812295898.db2.gz NKHKMSJHIYQQSS-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007550472 812326234 /nfs/dbraw/zinc/32/62/34/812326234.db2.gz DGSYNTSNQBNHCW-QMMMGPOBSA-N -1 0 321.341 -0.358 20 0 DBADRM Cc1ncc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC001008311541 812412214 /nfs/dbraw/zinc/41/22/14/812412214.db2.gz UDOCTJHBWWBZAL-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@@]1(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CCC(=O)N1 ZINC001008437615 812430036 /nfs/dbraw/zinc/43/00/36/812430036.db2.gz PASMCODXKIDCGP-XPTSAGLGSA-N -1 0 322.369 -0.740 20 0 DBADRM C[C@@]1(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CCNC1=O ZINC001008510421 812437933 /nfs/dbraw/zinc/43/79/33/812437933.db2.gz PRPDOTUPVHJNJI-LKFCYVNXSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1ccn(CC(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001008572651 812449612 /nfs/dbraw/zinc/44/96/12/812449612.db2.gz ZLVHKSZLJWUIHI-LLVKDONJSA-N -1 0 319.369 -0.204 20 0 DBADRM Cc1nonc1CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001009040757 812504215 /nfs/dbraw/zinc/50/42/15/812504215.db2.gz YNMLSRRCFWDONJ-SECBINFHSA-N -1 0 321.341 -0.475 20 0 DBADRM Cc1nonc1CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001009040760 812504549 /nfs/dbraw/zinc/50/45/49/812504549.db2.gz YNMLSRRCFWDONJ-VIFPVBQESA-N -1 0 321.341 -0.475 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(C(=O)C3CC3)C[C@H]21)c1n[nH]c(=O)[n-]c1=O ZINC001009286380 812528726 /nfs/dbraw/zinc/52/87/26/812528726.db2.gz IOAJPLJFJFLOTF-PSVAKVPMSA-N -1 0 319.321 -0.873 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1CCN(C(=O)C2CC2)CC1 ZINC001009712026 812579441 /nfs/dbraw/zinc/57/94/41/812579441.db2.gz YVCSNVGIUOUTQY-UHFFFAOYSA-N -1 0 321.337 -0.704 20 0 DBADRM CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C1 ZINC001009765986 812588476 /nfs/dbraw/zinc/58/84/76/812588476.db2.gz KAQJCAZVEROQNC-HBNTYKKESA-N -1 0 323.353 -0.548 20 0 DBADRM CCC(=O)N1C[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC001009892577 812601940 /nfs/dbraw/zinc/60/19/40/812601940.db2.gz QQBACNRFWSTQTI-UWVGGRQHSA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@@H]1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C1CC1 ZINC001009909288 812602678 /nfs/dbraw/zinc/60/26/78/812602678.db2.gz SHFVSOYNCIQGKK-HTQZYQBOSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1c(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001010218700 812639080 /nfs/dbraw/zinc/63/90/80/812639080.db2.gz GRPMOYMPRCUDGC-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001010340975 812664654 /nfs/dbraw/zinc/66/46/54/812664654.db2.gz AOCHEIUXWDHSBW-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001010337530 812665036 /nfs/dbraw/zinc/66/50/36/812665036.db2.gz FXXLGGUVLVAOIC-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM Cn1cc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001010363988 812671878 /nfs/dbraw/zinc/67/18/78/812671878.db2.gz GTSABMKBJYPGKD-SNVBAGLBSA-N -1 0 305.342 -0.823 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001010384947 812678912 /nfs/dbraw/zinc/67/89/12/812678912.db2.gz MKUSTIZRIVWRDF-UHFFFAOYSA-N -1 0 323.353 -0.458 20 0 DBADRM CC[C@@H](C)C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001010390981 812680841 /nfs/dbraw/zinc/68/08/41/812680841.db2.gz GHKFLHVKKGKQOG-MRVPVSSYSA-N -1 0 309.326 -0.387 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc[nH]c(=O)c1 ZINC001010498030 812707352 /nfs/dbraw/zinc/70/73/52/812707352.db2.gz QMGOSEZQLIXPQF-VIFPVBQESA-N -1 0 304.310 -0.385 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010567221 812718671 /nfs/dbraw/zinc/71/86/71/812718671.db2.gz NYTMUSTUOMMMPI-RKDXNWHRSA-N -1 0 309.326 -0.846 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010567218 812719244 /nfs/dbraw/zinc/71/92/44/812719244.db2.gz NYTMUSTUOMMMPI-BDAKNGLRSA-N -1 0 309.326 -0.846 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)CC(C)C)C2)c1[O-] ZINC001041233377 815552045 /nfs/dbraw/zinc/55/20/45/815552045.db2.gz KTTCZRZPPQOVNQ-UHFFFAOYSA-N -1 0 310.354 -0.227 20 0 DBADRM O=C(/C=C/C1CC1)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001010886007 812798082 /nfs/dbraw/zinc/79/80/82/812798082.db2.gz XBDCUVDYFATUEJ-ONEGZZNKSA-N -1 0 321.337 -0.674 20 0 DBADRM O=C(CC1CCC1)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001010895314 812798358 /nfs/dbraw/zinc/79/83/58/812798358.db2.gz UGBKBQUPOLHBBZ-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM O=C(/C=C\C1CC1)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001010886003 812798637 /nfs/dbraw/zinc/79/86/37/812798637.db2.gz XBDCUVDYFATUEJ-ARJAWSKDSA-N -1 0 321.337 -0.674 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3ncccn3)CC2)c1[O-] ZINC001011007195 812810824 /nfs/dbraw/zinc/81/08/24/812810824.db2.gz OIWVVMGFENBKKX-UHFFFAOYSA-N -1 0 316.321 -0.188 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3cccnn3)CC2)c1[O-] ZINC001011007419 812811835 /nfs/dbraw/zinc/81/18/35/812811835.db2.gz RINKZLBOMMZDGG-UHFFFAOYSA-N -1 0 316.321 -0.188 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(C(=O)c2cc[nH]c2)CC1 ZINC001011245465 812864918 /nfs/dbraw/zinc/86/49/18/812864918.db2.gz UIRNAVAYMVQSEQ-UHFFFAOYSA-N -1 0 320.309 -0.998 20 0 DBADRM CC(C)=CC(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001011446679 812893674 /nfs/dbraw/zinc/89/36/74/812893674.db2.gz GVTDVXHGCZZANC-VHSXEESVSA-N -1 0 323.353 -0.239 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001011503442 812902343 /nfs/dbraw/zinc/90/23/43/812902343.db2.gz NLSCVCHMMFWWBO-JGVFFNPUSA-N -1 0 309.326 -0.342 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H]1C ZINC001011512023 812903425 /nfs/dbraw/zinc/90/34/25/812903425.db2.gz JZIUBFVOEJZEBX-GXSJLCMTSA-N -1 0 322.365 -0.139 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)[C@@H]2C)c1[O-] ZINC001011591387 812916695 /nfs/dbraw/zinc/91/66/95/812916695.db2.gz LWZKKBHLMRZCCU-HTQZYQBOSA-N -1 0 309.326 -0.982 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001011628093 812921866 /nfs/dbraw/zinc/92/18/66/812921866.db2.gz LLBCZWDHCVOJJR-BBYBGLFNSA-N -1 0 323.353 -0.239 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001011851994 812955539 /nfs/dbraw/zinc/95/55/39/812955539.db2.gz MYBNOZZSEZEQHD-SECBINFHSA-N -1 0 321.337 -0.840 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C)c1[O-] ZINC001011875561 812962810 /nfs/dbraw/zinc/96/28/10/812962810.db2.gz XQUGYXOLXXDROK-HTQZYQBOSA-N -1 0 319.325 -0.425 20 0 DBADRM C[C@H]1[C@H](NC(=O)C2(C)CC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001011933147 812972779 /nfs/dbraw/zinc/97/27/79/812972779.db2.gz ZOOLEVHXPBCHTL-JGVFFNPUSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@H]1[C@@H](NC(=O)C(F)F)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001011932802 812973099 /nfs/dbraw/zinc/97/30/99/812973099.db2.gz XZAZBCQLTHFQDL-WHFBIAKZSA-N -1 0 317.252 -0.733 20 0 DBADRM C[C@H]1[C@H](NC(=O)C(F)F)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001011943176 812973778 /nfs/dbraw/zinc/97/37/78/812973778.db2.gz HTJBTLOXQJOIGZ-NTSWFWBYSA-N -1 0 319.268 -0.940 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)[C@H]1C ZINC001011947008 812974571 /nfs/dbraw/zinc/97/45/71/812974571.db2.gz BDPNTPOCUPWRJV-WPRPVWTQSA-N -1 0 308.338 -0.385 20 0 DBADRM C[C@H]1[C@H](NC(=O)C2CC2)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001011948176 812975217 /nfs/dbraw/zinc/97/52/17/812975217.db2.gz MYTKXGVXXPEJIO-GZMMTYOYSA-N -1 0 320.349 -0.385 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)[C@H]2C)c1[O-] ZINC001011964795 812980630 /nfs/dbraw/zinc/98/06/30/812980630.db2.gz RVYXHCWDJFFWLR-YUMQZZPRSA-N -1 0 319.325 -0.425 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)C(F)F ZINC001012121610 813014799 /nfs/dbraw/zinc/01/47/99/813014799.db2.gz NPSIINFOBANXMV-NTSWFWBYSA-N -1 0 319.268 -0.940 20 0 DBADRM C[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)C(F)F ZINC001012121614 813015492 /nfs/dbraw/zinc/01/54/92/813015492.db2.gz NPSIINFOBANXMV-WDSKDSINSA-N -1 0 319.268 -0.940 20 0 DBADRM C[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)C1CCC1 ZINC001012144496 813017172 /nfs/dbraw/zinc/01/71/72/813017172.db2.gz WDISUJNAKYOPBX-WPRPVWTQSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(C)C(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001012307073 813034548 /nfs/dbraw/zinc/03/45/48/813034548.db2.gz DZNIQINALCMNGR-IUCAKERBSA-N -1 0 311.342 -0.549 20 0 DBADRM C/C=C(\C)C(=O)N1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001012449403 813057421 /nfs/dbraw/zinc/05/74/21/813057421.db2.gz LKEBECMHYYQWLF-PSVJHUJZSA-N -1 0 323.353 -0.239 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3cnon3)C[C@@H]2C)c1[O-] ZINC001012495077 813059849 /nfs/dbraw/zinc/05/98/49/813059849.db2.gz NDGABZJTPSZLAT-XPUUQOCRSA-N -1 0 320.309 -0.160 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3cn[nH]n3)C2)c1[O-] ZINC001013139303 813108562 /nfs/dbraw/zinc/10/85/62/813108562.db2.gz CFXIPVRJUDIBSD-HTRCEHHLSA-N -1 0 319.325 -0.425 20 0 DBADRM CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001013143809 813111048 /nfs/dbraw/zinc/11/10/48/813111048.db2.gz WMJAEGHHCIXTLQ-VXNVDRBHSA-N -1 0 309.326 -0.659 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(F)F)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013426339 813139622 /nfs/dbraw/zinc/13/96/22/813139622.db2.gz ZFDJFBUSLZCEGI-RFZPGFLSSA-N -1 0 317.252 -0.733 20 0 DBADRM CCC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001013546439 813148535 /nfs/dbraw/zinc/14/85/35/813148535.db2.gz ARZIOOQESFNQDX-BDAKNGLRSA-N -1 0 308.338 -0.385 20 0 DBADRM CC(=O)N[C@@H]1C[C@H](C)N(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001013624480 813151813 /nfs/dbraw/zinc/15/18/13/813151813.db2.gz ACRIKRPKTNDIQR-WCBMZHEXSA-N -1 0 318.337 -0.803 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3nc[nH]n3)C2)c1[O-] ZINC001013643254 813156542 /nfs/dbraw/zinc/15/65/42/813156542.db2.gz UJHYKSQDYQHNOF-SVRRBLITSA-N -1 0 319.325 -0.425 20 0 DBADRM CCC(=O)N[C@]12CCC[C@H]1N(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC001014106557 813209775 /nfs/dbraw/zinc/20/97/75/813209775.db2.gz KRIMJWBXXGYYKE-OTYXRUKQSA-N -1 0 323.353 -0.261 20 0 DBADRM CCC(=O)N1CC[C@@]2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CCC[C@@H]12 ZINC001014362388 813222548 /nfs/dbraw/zinc/22/25/48/813222548.db2.gz RHXSTWRWLYOYTM-CLAHSXSESA-N -1 0 321.337 -0.054 20 0 DBADRM CC(=O)N1CC[C@]2(NC(=O)c3cnc([O-])n(C)c3=O)CCC[C@@H]12 ZINC001014364598 813223843 /nfs/dbraw/zinc/22/38/43/813223843.db2.gz XJOKZCBCPVXJKY-IAQYHMDHSA-N -1 0 320.349 -0.241 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnn1C ZINC001014458031 813249980 /nfs/dbraw/zinc/24/99/80/813249980.db2.gz HZQAEFSIHJYURQ-ZJUUUORDSA-N -1 0 319.369 -0.262 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC001014514706 813258525 /nfs/dbraw/zinc/25/85/25/813258525.db2.gz OSKHAVHAJHAVHU-GUBZILKMSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001014606481 813272906 /nfs/dbraw/zinc/27/29/06/813272906.db2.gz XTZIJIMSUHFFCQ-IVZWLZJFSA-N -1 0 321.337 -0.340 20 0 DBADRM CCC(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001014656923 813287830 /nfs/dbraw/zinc/28/78/30/813287830.db2.gz WZTGKJWRECCEQT-JGVFFNPUSA-N -1 0 309.326 -0.198 20 0 DBADRM Cc1c(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001014675916 813290528 /nfs/dbraw/zinc/29/05/28/813290528.db2.gz CBHPBVPZXGFLIH-NSHDSACASA-N -1 0 319.369 -0.515 20 0 DBADRM C[C@H]1[C@@H](NC(=O)C2CC2)CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001014680362 813291911 /nfs/dbraw/zinc/29/19/11/813291911.db2.gz QSCLVPVOKJMSQH-CBAPKCEASA-N -1 0 321.337 -0.198 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc2n1CCC2 ZINC001014775289 813309070 /nfs/dbraw/zinc/30/90/70/813309070.db2.gz QWBGJTMBLOTASZ-VIFPVBQESA-N -1 0 317.353 -0.343 20 0 DBADRM O=C(CN1CCCCC1=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015071986 813363961 /nfs/dbraw/zinc/36/39/61/813363961.db2.gz CBGFVNFQHPMPTC-SNVBAGLBSA-N -1 0 322.369 -0.787 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCCN1C(=O)C1CC1 ZINC001015101746 813370129 /nfs/dbraw/zinc/37/01/29/813370129.db2.gz PZRMPBLCLCXXRR-IONNQARKSA-N -1 0 321.337 -0.198 20 0 DBADRM Cn1nccc1CN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015110019 813371070 /nfs/dbraw/zinc/37/10/70/813371070.db2.gz PFBNJKYZANFSLP-QMMMGPOBSA-N -1 0 319.325 -0.979 20 0 DBADRM Cc1oncc1CN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015110900 813371328 /nfs/dbraw/zinc/37/13/28/813371328.db2.gz YHZQYRAWDBXJCL-SECBINFHSA-N -1 0 320.309 -0.416 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2nccs2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015109976 813371429 /nfs/dbraw/zinc/37/14/29/813371429.db2.gz ODEUZNRZYLFSRF-SSDOTTSWSA-N -1 0 322.350 -0.256 20 0 DBADRM CCC(=O)N1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001015114860 813372079 /nfs/dbraw/zinc/37/20/79/813372079.db2.gz RATRAERTXYSMKO-RKDXNWHRSA-N -1 0 311.342 -0.405 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCCN1C(=O)C1CC1 ZINC001015113936 813372096 /nfs/dbraw/zinc/37/20/96/813372096.db2.gz NVZWTSVGAOMYSJ-SCZZXKLOSA-N -1 0 323.353 -0.405 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015197206 813388726 /nfs/dbraw/zinc/38/87/26/813388726.db2.gz XXXDSZMJWSZUBT-UWVGGRQHSA-N -1 0 322.369 -0.740 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001015199388 813389532 /nfs/dbraw/zinc/38/95/32/813389532.db2.gz BXXRUEGDFWWOIX-SSDOTTSWSA-N -1 0 320.309 -0.794 20 0 DBADRM COc1nccc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001015223517 813394338 /nfs/dbraw/zinc/39/43/38/813394338.db2.gz FVRCZLPZSBFKTE-MRVPVSSYSA-N -1 0 319.325 -0.687 20 0 DBADRM O=C(Cc1ccc(=O)[nH]c1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015310668 813404808 /nfs/dbraw/zinc/40/48/08/813404808.db2.gz ONGCJZKMKLYLMT-JTQLQIEISA-N -1 0 318.337 -0.456 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CC[C@@H](CNC(=O)C2CC2)C1 ZINC001015507967 813440780 /nfs/dbraw/zinc/44/07/80/813440780.db2.gz BZJQTFSMPLGJSE-SCZZXKLOSA-N -1 0 323.353 -0.500 20 0 DBADRM CC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001015515195 813446675 /nfs/dbraw/zinc/44/66/75/813446675.db2.gz LZQDWCYYSMRLJF-NXEZZACHSA-N -1 0 308.338 -0.480 20 0 DBADRM O=C(CC1=CCOCC1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015660769 813492452 /nfs/dbraw/zinc/49/24/52/813492452.db2.gz JPHSKOZWDFGCLE-NSHDSACASA-N -1 0 307.354 -0.062 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCCC(=O)N1 ZINC001015688007 813497105 /nfs/dbraw/zinc/49/71/05/813497105.db2.gz UZCVTWCKAFDCEM-VHSXEESVSA-N -1 0 322.369 -0.740 20 0 DBADRM COc1cncc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001015801059 813528708 /nfs/dbraw/zinc/52/87/08/813528708.db2.gz JUXWWXQNUAVVCZ-MRVPVSSYSA-N -1 0 319.325 -0.687 20 0 DBADRM COCc1nocc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015980313 813581068 /nfs/dbraw/zinc/58/10/68/813581068.db2.gz CFZHIWVEFKPELV-QMMMGPOBSA-N -1 0 322.325 -0.351 20 0 DBADRM Cc1ncc(CN2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001016111518 813599618 /nfs/dbraw/zinc/59/96/18/813599618.db2.gz RMXKEXWTJFFZQC-SECBINFHSA-N -1 0 322.325 -0.624 20 0 DBADRM Cc1nc(CN2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)co1 ZINC001016112637 813600365 /nfs/dbraw/zinc/60/03/65/813600365.db2.gz YPWKPVYCPRIMMH-SECBINFHSA-N -1 0 322.325 -0.624 20 0 DBADRM Cc1cc(CN2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)no1 ZINC001016112718 813601374 /nfs/dbraw/zinc/60/13/74/813601374.db2.gz ZWSAZLSZJMNRGQ-SECBINFHSA-N -1 0 322.325 -0.624 20 0 DBADRM Cc1cc(CN2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)no1 ZINC001016112719 813601500 /nfs/dbraw/zinc/60/15/00/813601500.db2.gz ZWSAZLSZJMNRGQ-VIFPVBQESA-N -1 0 322.325 -0.624 20 0 DBADRM CCc1nc[nH]c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016137654 813606317 /nfs/dbraw/zinc/60/63/17/813606317.db2.gz VXGOEKXEOKUEME-QMMMGPOBSA-N -1 0 305.342 -0.200 20 0 DBADRM CC(C)C(=O)NC1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001016791780 813720338 /nfs/dbraw/zinc/72/03/38/813720338.db2.gz MTNYIZDTIQOEHZ-UHFFFAOYSA-N -1 0 309.326 -0.342 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)C1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016832734 813729199 /nfs/dbraw/zinc/72/91/99/813729199.db2.gz AJVLZUTVRLVPHC-SEZDTBSWSA-N -1 0 323.353 -0.549 20 0 DBADRM COCC(=O)N1CC=C(CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001017388446 813789720 /nfs/dbraw/zinc/78/97/20/813789720.db2.gz QMRBTQOJUJPPCJ-UHFFFAOYSA-N -1 0 308.338 -0.041 20 0 DBADRM CC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001017881032 813847289 /nfs/dbraw/zinc/84/72/89/813847289.db2.gz XWMQBXWJBKDHLN-PSASIEDQSA-N -1 0 323.353 -0.269 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CC[C@H](C)N(C(=O)C(N)=O)C2)c1[O-] ZINC001018088214 813862633 /nfs/dbraw/zinc/86/26/33/813862633.db2.gz NDYJPNXMFRLZBE-XPUUQOCRSA-N -1 0 309.326 -0.982 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)c2cn[nH]n2)CN1C(=O)c1cnon1 ZINC001018252728 813881045 /nfs/dbraw/zinc/88/10/45/813881045.db2.gz YXTYGYQPRRPJNC-YUMQZZPRSA-N -1 0 305.298 -0.389 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CC[C@H]1C ZINC001018307006 813887938 /nfs/dbraw/zinc/88/79/38/813887938.db2.gz JZLVNNWQTQHWEY-SCZZXKLOSA-N -1 0 308.338 -0.385 20 0 DBADRM CCC(=O)N1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@@H]1C ZINC001018307334 813888409 /nfs/dbraw/zinc/88/84/09/813888409.db2.gz RVOCRIWJMBMFJO-DTWKUNHWSA-N -1 0 311.342 -0.405 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NC(=O)C(N)=O)CC[C@@H]2C)c1[O-] ZINC001018373373 813901757 /nfs/dbraw/zinc/90/17/57/813901757.db2.gz SMXLQWLZCIDFRE-POYBYMJQSA-N -1 0 309.326 -0.982 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@H]1C ZINC001018598224 813935811 /nfs/dbraw/zinc/93/58/11/813935811.db2.gz LWYAWQWVZLCSGY-SCZZXKLOSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](N[C@H](C)c3nnnn3C)C2)c1[O-] ZINC001018722904 813966930 /nfs/dbraw/zinc/96/69/30/813966930.db2.gz DPOQAJCCEFURSK-BDAKNGLRSA-N -1 0 320.357 -0.487 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](NCc2cscn2)C1 ZINC001019096079 814070256 /nfs/dbraw/zinc/07/02/56/814070256.db2.gz XLKPIODWPLHZKG-ZETCQYMHSA-N -1 0 322.350 -0.256 20 0 DBADRM Cc1cnc(CN[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001019094726 814070582 /nfs/dbraw/zinc/07/05/82/814070582.db2.gz JQUXSHQDJVUKJC-QMMMGPOBSA-N -1 0 320.309 -0.416 20 0 DBADRM Cc1conc1CN[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001019710244 814222744 /nfs/dbraw/zinc/22/27/44/814222744.db2.gz JSEOWSKMCYCXFQ-VIFPVBQESA-N -1 0 322.325 -0.624 20 0 DBADRM CC(=O)N1CCO[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001019873771 814250402 /nfs/dbraw/zinc/25/04/02/814250402.db2.gz AGFMKGSHTJJKOG-MNOVXSKESA-N -1 0 308.338 -0.114 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(F)cn3)C2)nc1=O ZINC001020092026 814292252 /nfs/dbraw/zinc/29/22/52/814292252.db2.gz LXLDGYLBXLLQSP-MGCOHNPYSA-N -1 0 320.328 -0.307 20 0 DBADRM O=C(N[C@H]1C[C@H](NCc2cnsn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001020353202 814361212 /nfs/dbraw/zinc/36/12/12/814361212.db2.gz UHXAVGDQAJTSMX-IZLXSQMJSA-N -1 0 323.338 -0.815 20 0 DBADRM O=C(N[C@H]1C[C@H](NCc2ccon2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001020353086 814361506 /nfs/dbraw/zinc/36/15/06/814361506.db2.gz OMEOVFNJYUGLEH-ZKCHVHJHSA-N -1 0 306.282 -0.679 20 0 DBADRM Cc1nc(C)c(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001031594911 814399497 /nfs/dbraw/zinc/39/94/97/814399497.db2.gz MWEMFOBIUAIMJB-UHFFFAOYSA-N -1 0 306.326 -0.023 20 0 DBADRM Cc1nnc(CC(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001033074070 814404228 /nfs/dbraw/zinc/40/42/28/814404228.db2.gz CVUFIGNBWBTWJB-SECBINFHSA-N -1 0 320.357 -0.788 20 0 DBADRM CN(C(=O)c1cn[nH]c(=O)c1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033164392 814432604 /nfs/dbraw/zinc/43/26/04/814432604.db2.gz BGMGXTFFWSXEPM-VIFPVBQESA-N -1 0 319.325 -0.648 20 0 DBADRM CN(C(=O)[C@@]1(C)CNC(=O)C1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033289805 814465836 /nfs/dbraw/zinc/46/58/36/814465836.db2.gz LXOFQYYTLYXUOZ-YMTOWFKASA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1n[nH]cc1C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033313152 814470422 /nfs/dbraw/zinc/47/04/22/814470422.db2.gz IFZFKHWPZUFVEA-SECBINFHSA-N -1 0 305.342 -0.112 20 0 DBADRM CN(C(=O)c1c[nH]c(=O)n1C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033331603 814478141 /nfs/dbraw/zinc/47/81/41/814478141.db2.gz JEKNZEQDADMBIC-MRVPVSSYSA-N -1 0 321.341 -0.704 20 0 DBADRM CN(C(=O)[C@H]1CCC(=O)N1C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033356736 814487580 /nfs/dbraw/zinc/48/75/80/814487580.db2.gz XDVLLHCPKOHJBI-NXEZZACHSA-N -1 0 322.369 -0.836 20 0 DBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H]1CCN(CCF)C1 ZINC001033509412 814526180 /nfs/dbraw/zinc/52/61/80/814526180.db2.gz IPLVQMISYXINAS-JTQLQIEISA-N -1 0 322.344 -0.427 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(C/C=C/Cl)C1 ZINC001033617540 814553588 /nfs/dbraw/zinc/55/35/88/814553588.db2.gz VNJSCIPJDBXZQY-HDMKULJXSA-N -1 0 315.761 -0.026 20 0 DBADRM Cc1nc[nH]c1C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033711411 814578212 /nfs/dbraw/zinc/57/82/12/814578212.db2.gz NHLPYZXEYIBPIZ-SECBINFHSA-N -1 0 305.342 -0.112 20 0 DBADRM CCN(C(=O)c1cnn(C)c1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033743648 814581648 /nfs/dbraw/zinc/58/16/48/814581648.db2.gz ASCLYOKPVVDERY-LLVKDONJSA-N -1 0 319.369 -0.020 20 0 DBADRM CCN(C(=O)c1cc[nH]n1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033763853 814583976 /nfs/dbraw/zinc/58/39/76/814583976.db2.gz INRBNRXGBZYYJC-VIFPVBQESA-N -1 0 305.342 -0.030 20 0 DBADRM CCN(C(=O)[C@@H]1CCOC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033774147 814585437 /nfs/dbraw/zinc/58/54/37/814585437.db2.gz PIQNEUBAYSLTTJ-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM CCN(C(=O)c1cn(C)cn1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033798084 814586904 /nfs/dbraw/zinc/58/69/04/814586904.db2.gz ISQXIMVPRQXURF-SNVBAGLBSA-N -1 0 319.369 -0.020 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])[C@H]1CCN(CC(=O)NC)C1 ZINC001033804439 814586960 /nfs/dbraw/zinc/58/69/60/814586960.db2.gz WWELBCBTDFBMHO-JTQLQIEISA-N -1 0 309.370 -0.294 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])[C@H]1CCN([C@H]2CCNC2=O)C1 ZINC001033807853 814588245 /nfs/dbraw/zinc/58/82/45/814588245.db2.gz ZNEXOVKIBHXBMR-QWRGUYRKSA-N -1 0 321.381 -0.151 20 0 DBADRM CCN(C(=O)[C@]12C[C@H]1COC2)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033834251 814595178 /nfs/dbraw/zinc/59/51/78/814595178.db2.gz DXDHKZZZQOKMBF-RWSFTLGLSA-N -1 0 321.381 -0.030 20 0 DBADRM O=C(Cn1cccn1)N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034103887 814634107 /nfs/dbraw/zinc/63/41/07/814634107.db2.gz DDQLHFWJQIAQHX-NSHDSACASA-N -1 0 319.369 -0.122 20 0 DBADRM O=C(N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001034131314 814637204 /nfs/dbraw/zinc/63/72/04/814637204.db2.gz ZKCSRAVQJBATAH-NXEZZACHSA-N -1 0 322.369 -0.740 20 0 DBADRM O=C(N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1COC(=O)N1 ZINC001034190127 814643613 /nfs/dbraw/zinc/64/36/13/814643613.db2.gz HUHWZYXWSQGIED-BDAKNGLRSA-N -1 0 324.341 -0.911 20 0 DBADRM O=C(Cn1nccn1)N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034235196 814651112 /nfs/dbraw/zinc/65/11/12/814651112.db2.gz YTUZRTQBDTYLDV-SNVBAGLBSA-N -1 0 320.357 -0.727 20 0 DBADRM O=C(Cc1nc[nH]n1)N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034487322 814688805 /nfs/dbraw/zinc/68/88/05/814688805.db2.gz MBEJRWUEVAJGLP-VIFPVBQESA-N -1 0 320.357 -0.658 20 0 DBADRM O=C(N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001034500042 814690539 /nfs/dbraw/zinc/69/05/39/814690539.db2.gz ZKCSRAVQJBATAH-UWVGGRQHSA-N -1 0 322.369 -0.740 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034555046 814699968 /nfs/dbraw/zinc/69/99/68/814699968.db2.gz WVWDIYRMHLOUHV-VIFPVBQESA-N -1 0 321.341 -0.014 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ccccn1 ZINC001035267724 814872477 /nfs/dbraw/zinc/87/24/77/814872477.db2.gz UAWMDXJVNPGXRD-JTQLQIEISA-N -1 0 318.337 -0.464 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ccncc1 ZINC001035275633 814874318 /nfs/dbraw/zinc/87/43/18/814874318.db2.gz SUDMSYZPVSCEJD-LLVKDONJSA-N -1 0 318.337 -0.464 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ccon1 ZINC001035311162 814888582 /nfs/dbraw/zinc/88/85/82/814888582.db2.gz PVBZBFFRMDTJJE-QMMMGPOBSA-N -1 0 308.298 -0.871 20 0 DBADRM Cn1ccc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)c1 ZINC001035333283 814896156 /nfs/dbraw/zinc/89/61/56/814896156.db2.gz IQZOSDGOAXQMHB-LLVKDONJSA-N -1 0 320.353 -0.520 20 0 DBADRM O=C(c1cc[nH]n1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001041957269 815781292 /nfs/dbraw/zinc/78/12/92/815781292.db2.gz FMEGTSOJBGCWSY-KOLCDFICSA-N -1 0 317.353 -0.030 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)C3CC(C)C3)C2)c1[O-] ZINC001042573112 815955914 /nfs/dbraw/zinc/95/59/14/815955914.db2.gz WWJJPUBOQSFPRR-UHFFFAOYSA-N -1 0 322.365 -0.227 20 0 DBADRM CC[C@H](C)C(=O)N1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001042572330 815956052 /nfs/dbraw/zinc/95/60/52/815956052.db2.gz JJZYFASIZIYETL-QMMMGPOBSA-N -1 0 310.354 -0.227 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)CC(C)C)C2)c1[O-] ZINC001042572864 815956064 /nfs/dbraw/zinc/95/60/64/815956064.db2.gz RAXNAYFHLVLBNN-UHFFFAOYSA-N -1 0 310.354 -0.227 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)c3ccc[nH]3)C2)c1[O-] ZINC001042572149 815956163 /nfs/dbraw/zinc/95/61/63/815956163.db2.gz HHMLVECVPGALRC-UHFFFAOYSA-N -1 0 319.321 -0.631 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)C(C)(F)F)C2)c1[O-] ZINC001042572685 815956522 /nfs/dbraw/zinc/95/65/22/815956522.db2.gz PHUSQPIGCVKJGQ-UHFFFAOYSA-N -1 0 318.280 -0.618 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)C(C)(C)C)C2)c1[O-] ZINC001042580859 815959628 /nfs/dbraw/zinc/95/96/28/815959628.db2.gz WASKDDYZRAEGGA-UHFFFAOYSA-N -1 0 310.354 -0.227 20 0 DBADRM CCn1cc(CN2CC(N(C)C(=O)c3n[nH]c(C)c3[O-])C2)nn1 ZINC001042620024 815970206 /nfs/dbraw/zinc/97/02/06/815970206.db2.gz RVHAMKVJMNHIAD-UHFFFAOYSA-N -1 0 319.369 -0.008 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN([C@H]3CCN(C)C3=O)C2)c1[O-] ZINC001042619920 815970315 /nfs/dbraw/zinc/97/03/15/815970315.db2.gz RCFCQCLQLVQWCA-JTQLQIEISA-N -1 0 307.354 -0.589 20 0 DBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001042738748 816012896 /nfs/dbraw/zinc/01/28/96/816012896.db2.gz JWZIDXIEMDPOCV-PSASIEDQSA-N -1 0 322.369 -0.932 20 0 DBADRM CN(C(=O)c1ccn(C)c(=O)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043119939 816120168 /nfs/dbraw/zinc/12/01/68/816120168.db2.gz PPPKMDGMFFQXRX-UHFFFAOYSA-N -1 0 318.337 -0.835 20 0 DBADRM CN(C(=O)CN1CCCCC1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043208164 816142707 /nfs/dbraw/zinc/14/27/07/816142707.db2.gz FXLGGEBQDAWYMV-UHFFFAOYSA-N -1 0 322.369 -0.835 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C[C@@H]2CCCCO2)C1 ZINC001043230804 816149323 /nfs/dbraw/zinc/14/93/23/816149323.db2.gz DKONTQNXEZKLIF-JTQLQIEISA-N -1 0 323.353 -0.392 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N(C)C2CN(C[C@@H](C)O)C2)cc1=O ZINC001043243532 816151757 /nfs/dbraw/zinc/15/17/57/816151757.db2.gz PQXYTMFOENFMBG-GFCCVEGCSA-N -1 0 324.425 -0.102 20 0 DBADRM CN(C(=O)c1ccc(C(N)=O)o1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043289335 816157339 /nfs/dbraw/zinc/15/73/39/816157339.db2.gz NYGNWBARAYAHKS-UHFFFAOYSA-N -1 0 320.309 -0.841 20 0 DBADRM Cc1cncn1CC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043358039 816168828 /nfs/dbraw/zinc/16/88/28/816168828.db2.gz RCSOTRKMXVDVFS-UHFFFAOYSA-N -1 0 305.342 -0.642 20 0 DBADRM CCOc1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001043363475 816171732 /nfs/dbraw/zinc/17/17/32/816171732.db2.gz FOJXBWTZGVOGSA-UHFFFAOYSA-N -1 0 322.325 -0.147 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)c3cc[nH]c3)C2)c1[O-] ZINC001043386559 816177988 /nfs/dbraw/zinc/17/79/88/816177988.db2.gz YXNUXODPDZCPLF-UHFFFAOYSA-N -1 0 319.321 -0.631 20 0 DBADRM Cc1cnn(C)c1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043565348 816223610 /nfs/dbraw/zinc/22/36/10/816223610.db2.gz BGPBHHDTQPUOSF-UHFFFAOYSA-N -1 0 305.342 -0.491 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3cnc(F)cn3)C[C@@H]2O)c1[O-] ZINC001043892971 816308589 /nfs/dbraw/zinc/30/85/89/816308589.db2.gz IJXOBLRKCMGGFB-SFYZADRCSA-N -1 0 322.300 -0.668 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3ccnc(C)n3)C[C@@H]2O)c1[O-] ZINC001043893045 816308808 /nfs/dbraw/zinc/30/88/08/816308808.db2.gz JOFYZPTWNAXYCT-ZJUUUORDSA-N -1 0 318.337 -0.498 20 0 DBADRM CCn1nc(C)cc1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043962307 816325553 /nfs/dbraw/zinc/32/55/53/816325553.db2.gz QOYHDPKCYAUQFR-UHFFFAOYSA-N -1 0 319.369 -0.008 20 0 DBADRM CO[C@@H](C)CN1CC(N(C)C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001044018202 816337146 /nfs/dbraw/zinc/33/71/46/816337146.db2.gz LAZXGJNVZQVCFO-JTQLQIEISA-N -1 0 319.365 -0.186 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)c3cnco3)C2)c1[O-] ZINC001044118983 816362262 /nfs/dbraw/zinc/36/22/62/816362262.db2.gz QXAXDAGGIHEKSP-UHFFFAOYSA-N -1 0 321.293 -0.971 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@]12CCOC2)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044155351 816373110 /nfs/dbraw/zinc/37/31/10/816373110.db2.gz TWHMGVDVSKJDLP-IINYFYTJSA-N -1 0 307.354 -0.421 20 0 DBADRM CN(C(=O)C(C)(C)c1cnc[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044189036 816382744 /nfs/dbraw/zinc/38/27/44/816382744.db2.gz RZUGQFXQDSIYEU-UHFFFAOYSA-N -1 0 319.369 -0.146 20 0 DBADRM CN(C(=O)[C@@H]1CC12CCOCC2)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044380638 816429913 /nfs/dbraw/zinc/42/99/13/816429913.db2.gz YRINYTCNTAMGLL-NSHDSACASA-N -1 0 321.381 -0.030 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]2CNCc2nncn2C)c1[O-] ZINC001044999253 816537919 /nfs/dbraw/zinc/53/79/19/816537919.db2.gz VAQLWQUSRKHWCK-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM CC1(NC(=O)[C@@H]2CCC(=O)N2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001045622583 816665554 /nfs/dbraw/zinc/66/55/54/816665554.db2.gz JAXLAVHWANYOSL-VIFPVBQESA-N -1 0 322.369 -0.740 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C[C@@H]3C[C@H]3C)C2)c1[O-] ZINC001045744317 816686394 /nfs/dbraw/zinc/68/63/94/816686394.db2.gz LULUHGYNRMFCBW-SCZZXKLOSA-N -1 0 322.365 -0.227 20 0 DBADRM O=C(C1CC1)N1CCN([C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001045993025 816709732 /nfs/dbraw/zinc/70/97/32/816709732.db2.gz RRRZQKSTLZCGAI-LBPRGKRZSA-N -1 0 320.397 -0.361 20 0 DBADRM C[C@@]1(NC(=O)c2cnccn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046113063 816757788 /nfs/dbraw/zinc/75/77/88/816757788.db2.gz CLNAXSFAODJTEK-CYBMUJFWSA-N -1 0 303.326 -0.305 20 0 DBADRM C[C@@]1(NC(=O)C2=COCCO2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046113664 816758211 /nfs/dbraw/zinc/75/82/11/816758211.db2.gz LPDBANCAKJTIDV-CYBMUJFWSA-N -1 0 309.326 -0.521 20 0 DBADRM C[C@@]1(NC(=O)c2cnns2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046165510 816768995 /nfs/dbraw/zinc/76/89/95/816768995.db2.gz MLPOJCFUZQBJDO-LLVKDONJSA-N -1 0 309.355 -0.244 20 0 DBADRM Cc1ncc(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001046194176 816776300 /nfs/dbraw/zinc/77/63/00/816776300.db2.gz CEBJDAMCPAEBOD-CYBMUJFWSA-N -1 0 305.342 -0.064 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN([C@@H]3CCN(C)C3=O)C2)c1[O-] ZINC001046240248 816791072 /nfs/dbraw/zinc/79/10/72/816791072.db2.gz QYPZDMUZTSKHPE-BMIGLBTASA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(Cc3nnn(C)n3)C2)c1[O-] ZINC001046246424 816792862 /nfs/dbraw/zinc/79/28/62/816792862.db2.gz JMSMYVPBNQMIKY-ZDUSSCGKSA-N -1 0 320.357 -0.658 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN([C@@H]3CCNC3=O)C2)c1[O-] ZINC001046246672 816792877 /nfs/dbraw/zinc/79/28/77/816792877.db2.gz MQAGFUAYCOZLHI-OTYXRUKQSA-N -1 0 307.354 -0.494 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN(Cc3cnnn3C)C2)c1[O-] ZINC001046245839 816792961 /nfs/dbraw/zinc/79/29/61/816792961.db2.gz DMNPHJKBJRERKP-CQSZACIVSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(CC(=O)N3CCC3)C2)c1[O-] ZINC001046246769 816793105 /nfs/dbraw/zinc/79/31/05/816793105.db2.gz OWUGAZNJOPNGFG-HNNXBMFYSA-N -1 0 321.381 -0.150 20 0 DBADRM CC(=O)N1CC(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001046272025 816799605 /nfs/dbraw/zinc/79/96/05/816799605.db2.gz WHXXSLJICDCXOG-CQSZACIVSA-N -1 0 322.369 -0.931 20 0 DBADRM Cn1cc(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001046292121 816808789 /nfs/dbraw/zinc/80/87/89/816808789.db2.gz JBYXBZPOTOTAGN-GFCCVEGCSA-N -1 0 306.330 -0.967 20 0 DBADRM C[C@@]1(NC(=O)[C@]23C[C@H]2COC3)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046333663 816819631 /nfs/dbraw/zinc/81/96/31/816819631.db2.gz SSCFRSDLMBXMMR-FZZIBODNSA-N -1 0 307.354 -0.373 20 0 DBADRM C[C@]1(NC(=O)[C@H]2CCCNC2=O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046395024 816836606 /nfs/dbraw/zinc/83/66/06/816836606.db2.gz ZLUHZKVVBNYRAH-XPTSAGLGSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@]1(NC(=O)[C@@H]2CCC(=O)NC2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046445632 816852481 /nfs/dbraw/zinc/85/24/81/816852481.db2.gz SPZZBHOOIZRCKE-OTYXRUKQSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@]1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(Cc2ccon2)C1 ZINC001046455010 816857113 /nfs/dbraw/zinc/85/71/13/816857113.db2.gz UQTPCWXAQMUAIS-ZDUSSCGKSA-N -1 0 320.309 -0.335 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046529763 816868739 /nfs/dbraw/zinc/86/87/39/816868739.db2.gz BVENKNGALKRYLY-CYBMUJFWSA-N -1 0 305.342 -0.064 20 0 DBADRM C[C@]1(NC(=O)c2ccc3oc(=O)nc-3[n-]2)CCN(CC(N)=O)C1 ZINC001046768808 816943325 /nfs/dbraw/zinc/94/33/25/816943325.db2.gz HBLSGGHIWSHOCI-AWEZNQCLSA-N -1 0 319.321 -0.392 20 0 DBADRM CN(C(=O)C(C)(C)F)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047276897 817032691 /nfs/dbraw/zinc/03/26/91/817032691.db2.gz JOUZZIMQNJWOOY-YUMQZZPRSA-N -1 0 301.322 -0.738 20 0 DBADRM CN(C(=O)c1ccc[nH]1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047301666 817046206 /nfs/dbraw/zinc/04/62/06/817046206.db2.gz YKIKZOZMBXXEPN-UWVGGRQHSA-N -1 0 306.326 -0.844 20 0 DBADRM Cc1ocnc1C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047317448 817058503 /nfs/dbraw/zinc/05/85/03/817058503.db2.gz IEUALXNKCPVFEF-IUCAKERBSA-N -1 0 322.325 -0.876 20 0 DBADRM CC1CC(C(=O)N(C)[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C1 ZINC001047343117 817075899 /nfs/dbraw/zinc/07/58/99/817075899.db2.gz FWZLAHGJXCHIPV-TVUZUIDESA-N -1 0 309.370 -0.440 20 0 DBADRM CN(C(=O)Cc1ccoc1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047358218 817083984 /nfs/dbraw/zinc/08/39/84/817083984.db2.gz RIZUASSFHRANKP-QWRGUYRKSA-N -1 0 321.337 -0.651 20 0 DBADRM CN(C(=O)C1CC2(CC2)C1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047523357 817182854 /nfs/dbraw/zinc/18/28/54/817182854.db2.gz XAEKESGLUZPTRG-QWRGUYRKSA-N -1 0 321.381 -0.296 20 0 DBADRM O=C(c1cn[nH]c1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048697252 817403387 /nfs/dbraw/zinc/40/33/87/817403387.db2.gz HPSKPJGZGFHJNM-AOOOYVTPSA-N -1 0 303.326 -0.563 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048800595 817441066 /nfs/dbraw/zinc/44/10/66/817441066.db2.gz KOMJVAOXDGPBCE-JFGNBEQYSA-N -1 0 309.370 -0.583 20 0 DBADRM Cc1c[nH]nc1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048809076 817444550 /nfs/dbraw/zinc/44/45/50/817444550.db2.gz BSIHBWHLRAUCBA-AOOOYVTPSA-N -1 0 317.353 -0.254 20 0 DBADRM O=C(Cc1cnc[nH]1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001049083761 817526758 /nfs/dbraw/zinc/52/67/58/817526758.db2.gz QUNYRTCVPRZGNM-AOOOYVTPSA-N -1 0 317.353 -0.634 20 0 DBADRM C[C@]1(C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)CCOC1 ZINC001049133594 817540339 /nfs/dbraw/zinc/54/03/39/817540339.db2.gz LUDGHSGVWXDIJX-RWSFTLGLSA-N -1 0 321.381 -0.173 20 0 DBADRM CC(=O)N1CC[C@H]([C@H](C)NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001049659879 817622403 /nfs/dbraw/zinc/62/24/03/817622403.db2.gz ZRUCATMNMDWZAJ-WPRPVWTQSA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCN(C(=O)C2CC2)C1 ZINC001049684154 817626390 /nfs/dbraw/zinc/62/63/90/817626390.db2.gz DLTUTYWJLSNBQR-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(c1cn[nH]c1)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001049985718 817661588 /nfs/dbraw/zinc/66/15/88/817661588.db2.gz JBVSDPDDEHKBFR-GXSJLCMTSA-N -1 0 317.353 -0.030 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2COCCN2Cc2n[nH]c(=O)[n-]2)on1 ZINC001050814850 817765332 /nfs/dbraw/zinc/76/53/32/817765332.db2.gz LXFSRGHPUXWAHT-SECBINFHSA-N -1 0 322.325 -0.562 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001050863022 817779947 /nfs/dbraw/zinc/77/99/47/817779947.db2.gz ZQJLHPRSCJSADL-DCQANWLSSA-N -1 0 321.381 -0.127 20 0 DBADRM Cn1ccc(C(=O)NC[C@@H]2COCCN2Cc2n[nH]c(=O)[n-]2)c1 ZINC001050877643 817782320 /nfs/dbraw/zinc/78/23/20/817782320.db2.gz DSDWWCHTPXCHCK-LLVKDONJSA-N -1 0 320.353 -0.520 20 0 DBADRM Cc1nc(C(=O)NC[C@@H]2COCCN2Cc2n[nH]c(=O)[n-]2)co1 ZINC001050881807 817783549 /nfs/dbraw/zinc/78/35/49/817783549.db2.gz JHVASIDWGBPDOD-SECBINFHSA-N -1 0 322.325 -0.562 20 0 DBADRM Cc1c[nH]c(C(=O)NC[C@H]2COCCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001051154099 817858179 /nfs/dbraw/zinc/85/81/79/817858179.db2.gz CLJWEHHOKUIHTQ-VIFPVBQESA-N -1 0 321.341 -0.827 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1C[C@H]1C1CC1 ZINC001051157464 817859201 /nfs/dbraw/zinc/85/92/01/817859201.db2.gz OYIGMHKZBLFYCQ-GRYCIOLGSA-N -1 0 321.381 -0.127 20 0 DBADRM O=C(NC[C@@H]1COCCN1CCO)c1ccc2oc(=O)nc-2[n-]1 ZINC001051207438 817877346 /nfs/dbraw/zinc/87/73/46/817877346.db2.gz SXGZGKQSZYHJGF-SECBINFHSA-N -1 0 322.321 -0.649 20 0 DBADRM CCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001051286523 817897081 /nfs/dbraw/zinc/89/70/81/817897081.db2.gz BLYXPXCEMLEUSR-YUMQZZPRSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(C)C(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001051289136 817897651 /nfs/dbraw/zinc/89/76/51/817897651.db2.gz RKFVBXIAZJKXMI-DTWKUNHWSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCO[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001051524390 817956548 /nfs/dbraw/zinc/95/65/48/817956548.db2.gz UPLCXOOGPPEHMC-DCQANWLSSA-N -1 0 321.381 -0.127 20 0 DBADRM CCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001051680050 817997353 /nfs/dbraw/zinc/99/73/53/817997353.db2.gz UUGNTCATBJCAMQ-BDAKNGLRSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@]3(CCN(CC(N)=O)C3)C2)c1[O-] ZINC001054117577 818081784 /nfs/dbraw/zinc/08/17/84/818081784.db2.gz QSMPOHKSAIFYFQ-OAHLLOKOSA-N -1 0 321.381 -0.163 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001054572190 818142222 /nfs/dbraw/zinc/14/22/22/818142222.db2.gz MIBAYFBZYWZSEC-HTRCEHHLSA-N -1 0 321.341 -0.502 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NCc3cn(C)nn3)C2)c1[O-] ZINC001054572429 818142348 /nfs/dbraw/zinc/14/23/48/818142348.db2.gz MVDKMVFLAGHQCR-LDYMZIIASA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NCc1ccon1 ZINC001054858853 818189555 /nfs/dbraw/zinc/18/95/55/818189555.db2.gz CHLUILNGALPFEW-IONNQARKSA-N -1 0 320.309 -0.479 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](Nc2cnc(F)cn2)C1 ZINC001056681049 818433916 /nfs/dbraw/zinc/43/39/16/818433916.db2.gz SNCNTGIIBFPXAR-SSDOTTSWSA-N -1 0 323.288 -0.669 20 0 DBADRM Cc1nccc(N[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001056680873 818434204 /nfs/dbraw/zinc/43/42/04/818434204.db2.gz HSIBSTHZQPCREX-SECBINFHSA-N -1 0 319.325 -0.499 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCCN(c2ncccn2)CC1 ZINC001057259078 818669119 /nfs/dbraw/zinc/66/91/19/818669119.db2.gz GSAQDJGPGBYAKP-UHFFFAOYSA-N -1 0 317.309 -0.575 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC23CC3)c1[O-] ZINC001057356877 818697167 /nfs/dbraw/zinc/69/71/67/818697167.db2.gz DLHLGFJEPOYEKP-JTQLQIEISA-N -1 0 322.365 -0.225 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC001058181963 818882007 /nfs/dbraw/zinc/88/20/07/818882007.db2.gz NQXFOTTXSULFTG-VIFPVBQESA-N -1 0 319.325 -0.736 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(c2cnc(F)cn2)C1 ZINC001058412799 818945459 /nfs/dbraw/zinc/94/54/59/818945459.db2.gz COAPQDJBPHWQJA-SSDOTTSWSA-N -1 0 323.288 -0.987 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)ncn1 ZINC001058413466 818945495 /nfs/dbraw/zinc/94/54/95/818945495.db2.gz VHXKMOQRGZYLDE-VIFPVBQESA-N -1 0 319.325 -0.817 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(c2cnc(F)cn2)C1 ZINC001058412800 818945621 /nfs/dbraw/zinc/94/56/21/818945621.db2.gz COAPQDJBPHWQJA-ZETCQYMHSA-N -1 0 323.288 -0.987 20 0 DBADRM Cc1nccc(N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001058413279 818945691 /nfs/dbraw/zinc/94/56/91/818945691.db2.gz PTJFGABBNLKUMI-SECBINFHSA-N -1 0 319.325 -0.817 20 0 DBADRM CC(C)C(=O)N1CC[C@H](CCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001059178484 819117331 /nfs/dbraw/zinc/11/73/31/819117331.db2.gz TZGMKZJMEGSELX-VIFPVBQESA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@@H]2CCN(C(=O)CC(N)=O)C2)c1[O-] ZINC001059379701 819140025 /nfs/dbraw/zinc/14/00/25/819140025.db2.gz XBLPSMRTKSTHDN-SECBINFHSA-N -1 0 323.353 -0.732 20 0 DBADRM O=C(N[C@H]1C[C@H](Nc2ncc(F)cn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001059468617 819146848 /nfs/dbraw/zinc/14/68/48/819146848.db2.gz MLUHVVCXUIIYNH-LJGSYFOKSA-N -1 0 321.272 -0.415 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](CCNC(=O)C2CC2)C1 ZINC001060042314 819192243 /nfs/dbraw/zinc/19/22/43/819192243.db2.gz QWESXCINJBCNHW-VIFPVBQESA-N -1 0 323.353 -0.546 20 0 DBADRM CCC(=O)NCC[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001060041984 819192360 /nfs/dbraw/zinc/19/23/60/819192360.db2.gz JRKFGNDMIOJYQM-VIFPVBQESA-N -1 0 311.342 -0.546 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](CCNC(=O)C2CC2)C1 ZINC001060042313 819192373 /nfs/dbraw/zinc/19/23/73/819192373.db2.gz QWESXCINJBCNHW-SECBINFHSA-N -1 0 323.353 -0.546 20 0 DBADRM CCC(=O)NCC[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001060053569 819192456 /nfs/dbraw/zinc/19/24/56/819192456.db2.gz MUFHKKWZHRNACL-JTQLQIEISA-N -1 0 322.365 -0.136 20 0 DBADRM COCC(=O)NC[C@@H]1COCCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001061195533 819266706 /nfs/dbraw/zinc/26/67/06/819266706.db2.gz JWLANCVRGIAUFY-SECBINFHSA-N -1 0 312.326 -0.973 20 0 DBADRM O=C(NC[C@H]1CCN(c2ncccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001061784835 819406011 /nfs/dbraw/zinc/40/60/11/819406011.db2.gz JKNRVEJWQDJYNA-MRVPVSSYSA-N -1 0 317.309 -0.671 20 0 DBADRM CC(C)C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001062559689 819505002 /nfs/dbraw/zinc/50/50/02/819505002.db2.gz CRZYUQJPTKGTFF-UHFFFAOYSA-N -1 0 311.342 -0.500 20 0 DBADRM O=C(Cc1ccon1)NCC1(NC(=O)c2cn[nH]n2)CCC1 ZINC001062733332 819534227 /nfs/dbraw/zinc/53/42/27/819534227.db2.gz ZFEKQCKGIPVNPJ-UHFFFAOYSA-N -1 0 304.310 -0.196 20 0 DBADRM CC(C)C(=O)NC1(CNC(=O)c2cnc([O-])n(C)c2=O)CCC1 ZINC001063886884 819643728 /nfs/dbraw/zinc/64/37/28/819643728.db2.gz LLHQRSMXHXXRPZ-UHFFFAOYSA-N -1 0 322.365 -0.089 20 0 DBADRM CC(=O)N(C)CCCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001066572322 820018909 /nfs/dbraw/zinc/01/89/09/820018909.db2.gz TUNKARSOGONANP-UHFFFAOYSA-N -1 0 305.338 -0.037 20 0 DBADRM C[C@@H]1C[C@H](Nc2ncccn2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001069228534 820290660 /nfs/dbraw/zinc/29/06/60/820290660.db2.gz LARJUORNOPPWFJ-SFYZADRCSA-N -1 0 317.309 -0.212 20 0 DBADRM CNC(=O)CN1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])CC[C@H]1C ZINC001071434311 820683360 /nfs/dbraw/zinc/68/33/60/820683360.db2.gz DZCNYOCPQRGJQY-PSASIEDQSA-N -1 0 309.370 -0.248 20 0 DBADRM CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001071433479 820683923 /nfs/dbraw/zinc/68/39/23/820683923.db2.gz RUNXXIXNIPYKAP-PSASIEDQSA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)c2ncn(C)n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071486722 820696163 /nfs/dbraw/zinc/69/61/63/820696163.db2.gz BJAXETGVJXPJMK-IUCAKERBSA-N -1 0 320.357 -0.578 20 0 DBADRM CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001071496513 820700188 /nfs/dbraw/zinc/70/01/88/820700188.db2.gz UQTMYPPZGUJLDQ-XCBNKYQSSA-N -1 0 323.353 -0.863 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)c2cn[nH]n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071634538 820739034 /nfs/dbraw/zinc/73/90/34/820739034.db2.gz FEKDNEABMBENKL-YUMQZZPRSA-N -1 0 306.330 -0.589 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]cn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071846434 820793763 /nfs/dbraw/zinc/79/37/63/820793763.db2.gz AMTPUSOIDHTBAX-NXEZZACHSA-N -1 0 319.369 -0.055 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C ZINC001071912601 820806821 /nfs/dbraw/zinc/80/68/21/820806821.db2.gz CIUSLVDPWSSGRW-XCBNKYQSSA-N -1 0 323.353 -0.863 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)Cc2nc[nH]n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071973826 820833373 /nfs/dbraw/zinc/83/33/73/820833373.db2.gz IVDDAODREVHLDA-RKDXNWHRSA-N -1 0 320.357 -0.660 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1CCF ZINC001072026355 820848189 /nfs/dbraw/zinc/84/81/89/820848189.db2.gz HLMYEMVJTFGYEA-BDAKNGLRSA-N -1 0 301.322 -0.372 20 0 DBADRM CCCC(=O)N[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001072452309 820923575 /nfs/dbraw/zinc/92/35/75/820923575.db2.gz AZZKDGGISFPRNH-YUMQZZPRSA-N -1 0 309.326 -0.340 20 0 DBADRM O=C(Cn1cccn1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072468986 820925947 /nfs/dbraw/zinc/92/59/47/820925947.db2.gz DMYRAZPGCRNWKV-UHFFFAOYSA-N -1 0 317.353 -0.559 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001072482878 820928926 /nfs/dbraw/zinc/92/89/26/820928926.db2.gz AHFHCUXOAUYQMM-YXCTTXFESA-N -1 0 323.353 -0.381 20 0 DBADRM CCO[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072506826 820935770 /nfs/dbraw/zinc/93/57/70/820935770.db2.gz ZXGZZIJVBPAFMG-WDEREUQCSA-N -1 0 321.381 -0.030 20 0 DBADRM CC(C)(O)CC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072676117 820985741 /nfs/dbraw/zinc/98/57/41/820985741.db2.gz RIKLPPQDARDBDE-UHFFFAOYSA-N -1 0 309.370 -0.294 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC(C)(NC(=O)CC(N)=O)CC2)c1[O-] ZINC001072950077 821058355 /nfs/dbraw/zinc/05/83/55/821058355.db2.gz ZGRBSVNXAJQFHR-UHFFFAOYSA-N -1 0 323.353 -0.590 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072993734 821068101 /nfs/dbraw/zinc/06/81/01/821068101.db2.gz PIOIHDPBTARFNS-PWSUYJOCSA-N -1 0 321.381 -0.030 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1ncc[nH]1 ZINC001073601405 821180718 /nfs/dbraw/zinc/18/07/18/821180718.db2.gz LPKACYGGPHQKFF-VIFPVBQESA-N -1 0 321.341 -0.746 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC001074031744 821282113 /nfs/dbraw/zinc/28/21/13/821282113.db2.gz ORALHGUSBYNJBJ-SECBINFHSA-N -1 0 320.357 -0.245 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC001074049469 821282415 /nfs/dbraw/zinc/28/24/15/821282415.db2.gz PNRAHAAOAMWLHU-SCZZXKLOSA-N -1 0 323.353 -0.412 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC001074049470 821283190 /nfs/dbraw/zinc/28/31/90/821283190.db2.gz PNRAHAAOAMWLHU-WCBMZHEXSA-N -1 0 323.353 -0.412 20 0 DBADRM CC(C)C(=O)N1CC[C@@H]2OCCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001074175479 821298491 /nfs/dbraw/zinc/29/84/91/821298491.db2.gz VGQJYCWPMNLXLC-QWRGUYRKSA-N -1 0 309.370 -0.032 20 0 DBADRM C[C@@H](CCNC(=O)C1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001075278020 821501985 /nfs/dbraw/zinc/50/19/85/821501985.db2.gz OQGNAXJUAOWXJT-QMMMGPOBSA-N -1 0 308.338 -0.480 20 0 DBADRM C[C@@H](CCNC(=O)CC1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001075306751 821504057 /nfs/dbraw/zinc/50/40/57/821504057.db2.gz COJLBSKVRVLEAU-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(=O)N1C[C@@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C2(C1)CCOCC2 ZINC001075424426 821517411 /nfs/dbraw/zinc/51/74/11/821517411.db2.gz NPVMYGZVZHYTSL-LLVKDONJSA-N -1 0 309.370 -0.125 20 0 DBADRM O=C(Cn1cccn1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075550155 821541884 /nfs/dbraw/zinc/54/18/84/821541884.db2.gz HRXWPGBKVMMNFV-WDEREUQCSA-N -1 0 317.353 -0.560 20 0 DBADRM O=C(C1=CCOCC1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075720696 821581080 /nfs/dbraw/zinc/58/10/80/821581080.db2.gz LFRKOPDTVBLFOM-NWDGAFQWSA-N -1 0 319.365 -0.110 20 0 DBADRM O=C(Cc1cnoc1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076163494 821676906 /nfs/dbraw/zinc/67/69/06/821676906.db2.gz CPRJSEIAKNSZDC-WDEREUQCSA-N -1 0 318.337 -0.226 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC001116477049 828897242 /nfs/dbraw/zinc/89/72/42/828897242.db2.gz LRSZUCDNPDCEOK-NRPADANISA-N -1 0 321.424 -0.212 20 0 DBADRM O=C(Cn1ccnc1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076633209 821788733 /nfs/dbraw/zinc/78/87/33/821788733.db2.gz CVKOCGNLJPEHIL-WDEREUQCSA-N -1 0 317.353 -0.560 20 0 DBADRM Cc1nonc1C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076634989 821789160 /nfs/dbraw/zinc/78/91/60/821789160.db2.gz HVNUPOUPUUEAAX-DTWKUNHWSA-N -1 0 319.325 -0.452 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccccc1 ZINC001076693652 821809190 /nfs/dbraw/zinc/80/91/90/821809190.db2.gz YHXUBUFRALLZOG-GHMZBOCLSA-N -1 0 303.322 -0.515 20 0 DBADRM Cc1occc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076724759 821824954 /nfs/dbraw/zinc/82/49/54/821824954.db2.gz LBWUSNBSLWDBBK-NXEZZACHSA-N -1 0 307.310 -0.613 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@H]1CC=CCC1 ZINC001076734049 821828596 /nfs/dbraw/zinc/82/85/96/821828596.db2.gz XYSJFHUFNCOEEX-HBNTYKKESA-N -1 0 307.354 -0.472 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cn1 ZINC001076752185 821836442 /nfs/dbraw/zinc/83/64/42/821836442.db2.gz YFDYVBHJDVUTPR-GHMZBOCLSA-N -1 0 318.337 -0.811 20 0 DBADRM Cc1ncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)s1 ZINC001076797982 821860318 /nfs/dbraw/zinc/86/03/18/821860318.db2.gz HDIUXYFAAVLFMY-HTQZYQBOSA-N -1 0 324.366 -0.750 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccncc1F ZINC001076830776 821882499 /nfs/dbraw/zinc/88/24/99/821882499.db2.gz IWQSSMUDTFZCEU-NXEZZACHSA-N -1 0 322.300 -0.981 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C/C=C/Cl)C[C@H]2O)c1[O-] ZINC001076882641 821902761 /nfs/dbraw/zinc/90/27/61/821902761.db2.gz KDXGMRSZRCXCSK-KHVQUVQLSA-N -1 0 300.746 -0.049 20 0 DBADRM Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)o1 ZINC001076890137 821908221 /nfs/dbraw/zinc/90/82/21/821908221.db2.gz LJYYOFCSGIYOEH-RKDXNWHRSA-N -1 0 322.325 -0.910 20 0 DBADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077370277 822091565 /nfs/dbraw/zinc/09/15/65/822091565.db2.gz JDWFHPSUYQPRBL-GWOFURMSSA-N -1 0 323.397 -0.146 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1(C)CC1 ZINC001077578130 822158933 /nfs/dbraw/zinc/15/89/33/822158933.db2.gz NETLJLMFEWWNMQ-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CCCF ZINC001077578253 822159278 /nfs/dbraw/zinc/15/92/78/822159278.db2.gz UFACBFSKSXLRFZ-ZETCQYMHSA-N -1 0 315.305 -0.343 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(C)F ZINC001077577245 822159580 /nfs/dbraw/zinc/15/95/80/822159580.db2.gz XEYKBLIWTCAPBG-LURJTMIESA-N -1 0 315.305 -0.345 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@@]12C[C@@H]1CCCC2 ZINC001077644352 822177000 /nfs/dbraw/zinc/17/70/00/822177000.db2.gz SZTURVCYPUFMMH-SQYUCLKFSA-N -1 0 321.381 -0.248 20 0 DBADRM C[C@@H](CCNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1CC1 ZINC001077709446 822198491 /nfs/dbraw/zinc/19/84/91/822198491.db2.gz KXMKUDPQAHMZGR-QMMMGPOBSA-N -1 0 308.338 -0.480 20 0 DBADRM C[C@@H](CCNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1CCC1 ZINC001077709033 822198526 /nfs/dbraw/zinc/19/85/26/822198526.db2.gz BESBUGJCGQOBMQ-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@@H]1C[C@H]1C1CCC1 ZINC001077816956 822232280 /nfs/dbraw/zinc/23/22/80/822232280.db2.gz FGBJINDCTHJVAR-IRCOFANPSA-N -1 0 321.381 -0.392 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ncccc1F ZINC001077895080 822268067 /nfs/dbraw/zinc/26/80/67/822268067.db2.gz QFGYHHFBPZGPDS-RKDXNWHRSA-N -1 0 322.300 -0.981 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@@H]1CC12CCCC2 ZINC001077952153 822287870 /nfs/dbraw/zinc/28/78/70/822287870.db2.gz TVQGHULUVXWCOL-HBNTYKKESA-N -1 0 321.381 -0.248 20 0 DBADRM CN(CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C(=O)C1CC1 ZINC001112915533 828434880 /nfs/dbraw/zinc/43/48/80/828434880.db2.gz ZNPUKRYDPSTZDP-UHFFFAOYSA-N -1 0 322.369 -0.977 20 0 DBADRM C[C@@H](Nc1ncc(F)cn1)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001113364376 828488992 /nfs/dbraw/zinc/48/89/92/828488992.db2.gz MYZLLNLXRZVPSF-NTSWFWBYSA-N -1 0 323.288 -0.169 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)N(C)c1ncccn1 ZINC001113827339 828566741 /nfs/dbraw/zinc/56/67/41/828566741.db2.gz YRVVDLQUMVJVPS-SECBINFHSA-N -1 0 318.337 -0.469 20 0 DBADRM CCCC(=O)N(CC)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001079217400 823853064 /nfs/dbraw/zinc/85/30/64/823853064.db2.gz SBAFMLMIYSCERY-UHFFFAOYSA-N -1 0 309.326 -0.244 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccnn1C ZINC001079482928 823895097 /nfs/dbraw/zinc/89/50/97/823895097.db2.gz TVDCTMBTXLBASU-RKDXNWHRSA-N -1 0 305.342 -0.506 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cc[nH]c(=O)c1 ZINC001079562806 823916734 /nfs/dbraw/zinc/91/67/34/823916734.db2.gz FJVVOTGBWLSTFV-PSASIEDQSA-N -1 0 318.337 -0.139 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cn(C)nn3)C[C@H]2C)c1[O-] ZINC001079579464 823917191 /nfs/dbraw/zinc/91/71/91/823917191.db2.gz JNVRHOQRESPJCS-LDYMZIIASA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cnnn3C)C[C@H]2C)c1[O-] ZINC001079579534 823917281 /nfs/dbraw/zinc/91/72/81/823917281.db2.gz NIPPCPHIINQQAL-LDYMZIIASA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1nnc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)[nH]1 ZINC001079677318 823945259 /nfs/dbraw/zinc/94/52/59/823945259.db2.gz NDDJJQMOXJZXBL-VXNVDRBHSA-N -1 0 320.357 -0.884 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)nn1 ZINC001079679249 823945462 /nfs/dbraw/zinc/94/54/62/823945462.db2.gz ZFRCLQULZCZWJG-LDYMZIIASA-N -1 0 317.353 -0.141 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C(F)F)C1 ZINC001080201106 824012396 /nfs/dbraw/zinc/01/23/96/824012396.db2.gz POVYKXRIOJHXPJ-UHFFFAOYSA-N -1 0 319.268 -0.986 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1c[nH]cn1 ZINC001080516889 824053312 /nfs/dbraw/zinc/05/33/12/824053312.db2.gz BGWMRFOKNWEYLT-PSASIEDQSA-N -1 0 305.342 -0.587 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC(CO)(NC(=O)C3CC3)CC2)c1[O-] ZINC001080661108 824075132 /nfs/dbraw/zinc/07/51/32/824075132.db2.gz HDCBYHZGVVRLKE-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](CNC(=O)CC3CC3)[C@H](O)C2)c1[O-] ZINC001081163203 824144603 /nfs/dbraw/zinc/14/46/03/824144603.db2.gz GADSRYGBLGNHPG-GHMZBOCLSA-N -1 0 322.365 -0.227 20 0 DBADRM CCCCOCC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114082595 828618856 /nfs/dbraw/zinc/61/88/56/828618856.db2.gz MMWVXWLXZFVMGQ-IWIIMEHWSA-N -1 0 309.370 -0.127 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccoc1 ZINC001081369768 824225018 /nfs/dbraw/zinc/22/50/18/824225018.db2.gz YHQIIZDAKVEGTJ-NXEZZACHSA-N -1 0 307.310 -0.268 20 0 DBADRM C/C=C(/C)C(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC001081391300 824232552 /nfs/dbraw/zinc/23/25/52/824232552.db2.gz KWLKEYHWGLHTGI-XQXCJCPYSA-N -1 0 322.365 -0.061 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cc[nH]c1C ZINC001081508705 824279637 /nfs/dbraw/zinc/27/96/37/824279637.db2.gz UVZZLPPWOCTENM-GHMZBOCLSA-N -1 0 320.353 -0.224 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cc[nH]c1 ZINC001081717850 824339124 /nfs/dbraw/zinc/33/91/24/824339124.db2.gz LUDLFNZZKPNCLS-NXEZZACHSA-N -1 0 306.326 -0.532 20 0 DBADRM CC(=O)N1CCCC[C@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001081816836 824362828 /nfs/dbraw/zinc/36/28/28/824362828.db2.gz VJNRXOKQJQUERP-JTQLQIEISA-N -1 0 323.353 -0.267 20 0 DBADRM CC(C)=CC(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001082988682 824476649 /nfs/dbraw/zinc/47/66/49/824476649.db2.gz IOFLUJWVZAWXBE-WDEREUQCSA-N -1 0 307.354 -0.112 20 0 DBADRM O=C(c1cnco1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083156501 824507869 /nfs/dbraw/zinc/50/78/69/824507869.db2.gz XMKHPPRFBPFMBJ-WCBMZHEXSA-N -1 0 320.309 -0.776 20 0 DBADRM O=C([C@H]1CC12CC2)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083204825 824516449 /nfs/dbraw/zinc/51/64/49/824516449.db2.gz GHAOCVZJVTUXOY-OUAUKWLOSA-N -1 0 319.365 -0.278 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccnc(F)c1 ZINC001083364133 824575185 /nfs/dbraw/zinc/57/51/85/824575185.db2.gz YAFARRSSAJKCGW-BDAKNGLRSA-N -1 0 322.300 -0.981 20 0 DBADRM CC[C@@H](F)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001083409982 824606568 /nfs/dbraw/zinc/60/65/68/824606568.db2.gz PBTMHMIODWALIY-BBBLOLIVSA-N -1 0 300.334 -0.053 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)n1cccc1 ZINC001083408995 824606596 /nfs/dbraw/zinc/60/65/96/824606596.db2.gz HOAGEVPZRDXJMV-MXWKQRLJSA-N -1 0 320.353 -0.766 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)ns1 ZINC001083431577 824620003 /nfs/dbraw/zinc/62/00/03/824620003.db2.gz CEMCERXICOUBEP-BDAKNGLRSA-N -1 0 324.366 -0.750 20 0 DBADRM Cc1coc(C)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083440138 824626359 /nfs/dbraw/zinc/62/63/59/824626359.db2.gz BYFFVQKNUXMAAE-ZJUUUORDSA-N -1 0 321.337 -0.305 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCC1 ZINC001083561071 824674228 /nfs/dbraw/zinc/67/42/28/824674228.db2.gz DMODWMOZYJBYKG-IEBDPFPHSA-N -1 0 309.370 -0.392 20 0 DBADRM CCc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)o1 ZINC001083576486 824680908 /nfs/dbraw/zinc/68/09/08/824680908.db2.gz AZBPMOXYFWXREB-ZJUUUORDSA-N -1 0 321.337 -0.359 20 0 DBADRM CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083708434 824739586 /nfs/dbraw/zinc/73/95/86/824739586.db2.gz ZJMIIWIMRJFOCX-MXWKQRLJSA-N -1 0 323.397 -0.002 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c(C)[nH]1 ZINC001083817405 824781686 /nfs/dbraw/zinc/78/16/86/824781686.db2.gz ZKDXAGGUBNBGBS-MNOVXSKESA-N -1 0 320.353 -0.570 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCCC1 ZINC001083938585 824836144 /nfs/dbraw/zinc/83/61/44/824836144.db2.gz GZWDFNNJIHQMLL-JLLWLGSASA-N -1 0 323.397 -0.002 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCCC1 ZINC001083938586 824836397 /nfs/dbraw/zinc/83/63/97/824836397.db2.gz GZWDFNNJIHQMLL-WCQGTBRESA-N -1 0 323.397 -0.002 20 0 DBADRM Cc1c[nH]cc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001084052314 824870778 /nfs/dbraw/zinc/87/07/78/824870778.db2.gz XGQZPKHWWCZFBD-ZJUUUORDSA-N -1 0 306.326 -0.878 20 0 DBADRM O=C(c1cnccn1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084162098 824902209 /nfs/dbraw/zinc/90/22/09/824902209.db2.gz YBCCJTIQIMGEMA-MWLCHTKSSA-N -1 0 315.337 -0.353 20 0 DBADRM O=C(Cc1cc[nH]n1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084248106 824915317 /nfs/dbraw/zinc/91/53/17/824915317.db2.gz DDAYTCJVVRRDFM-MWLCHTKSSA-N -1 0 317.353 -0.491 20 0 DBADRM Cc1c[nH]nc1C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084332671 824927736 /nfs/dbraw/zinc/92/77/36/824927736.db2.gz PBBSCZWJGPOPAW-NXEZZACHSA-N -1 0 317.353 -0.112 20 0 DBADRM COC1CC(C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1 ZINC001084435330 824937474 /nfs/dbraw/zinc/93/74/74/824937474.db2.gz XKODVNVITXEHTI-HBIQZDMRSA-N -1 0 321.381 -0.032 20 0 DBADRM Cn1ccc(C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)n1 ZINC001084830808 824982462 /nfs/dbraw/zinc/98/24/62/824982462.db2.gz JMPUSUKVHSFOES-MWLCHTKSSA-N -1 0 317.353 -0.410 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001084933703 824990484 /nfs/dbraw/zinc/99/04/84/824990484.db2.gz CFAJBZFQWSITPR-NTZNESFSSA-N -1 0 323.397 -0.050 20 0 DBADRM CO[C@H](C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1CCC1 ZINC001114639254 828721052 /nfs/dbraw/zinc/72/10/52/828721052.db2.gz SVXYOLGTEALDFZ-YGNMPJRFSA-N -1 0 321.381 -0.128 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cnn(C)c1 ZINC001085480673 825024211 /nfs/dbraw/zinc/02/42/11/825024211.db2.gz QJDQDCURQBXNPB-JTQLQIEISA-N -1 0 305.342 -0.410 20 0 DBADRM Cc1nn(C)cc1C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085520206 825032490 /nfs/dbraw/zinc/03/24/90/825032490.db2.gz HOFKWRGGXJQBPE-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2[C@@H]2CCN(C)C2=O)c1[O-] ZINC001085543646 825037877 /nfs/dbraw/zinc/03/78/77/825037877.db2.gz BTFBXFIETGUEET-GHMZBOCLSA-N -1 0 321.381 -0.199 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCNC(=O)C1 ZINC001085543694 825039126 /nfs/dbraw/zinc/03/91/26/825039126.db2.gz CMMYLDDVFWMMFM-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2CCn2cncn2)c1[O-] ZINC001085543651 825039668 /nfs/dbraw/zinc/03/96/68/825039668.db2.gz BUVPXNVOLJOTNM-NSHDSACASA-N -1 0 319.369 -0.138 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2Cc2cn(C)nn2)c1[O-] ZINC001085550582 825041866 /nfs/dbraw/zinc/04/18/66/825041866.db2.gz YYNIOUIBQRSQRK-LLVKDONJSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)C1=CCOCC1 ZINC001085559856 825044368 /nfs/dbraw/zinc/04/43/68/825044368.db2.gz ZAYJNZAPPPJRRG-LLVKDONJSA-N -1 0 307.354 -0.110 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cc(=O)n(C)o1 ZINC001085569858 825047455 /nfs/dbraw/zinc/04/74/55/825047455.db2.gz VFODAGULUATYNI-MRVPVSSYSA-N -1 0 322.325 -0.852 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cc(=O)n(C)o1 ZINC001085569859 825047974 /nfs/dbraw/zinc/04/79/74/825047974.db2.gz VFODAGULUATYNI-QMMMGPOBSA-N -1 0 322.325 -0.852 20 0 DBADRM CCn1ncc(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001085584810 825057526 /nfs/dbraw/zinc/05/75/26/825057526.db2.gz NOOUXYCILBJIFU-SECBINFHSA-N -1 0 320.357 -0.532 20 0 DBADRM Cc1n[nH]cc1C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085752786 825097660 /nfs/dbraw/zinc/09/76/60/825097660.db2.gz PBIPGXWGKVWHEW-SECBINFHSA-N -1 0 305.342 -0.112 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCN(C)C1=O ZINC001085771125 825107088 /nfs/dbraw/zinc/10/70/88/825107088.db2.gz VCPXMFMXMJTMCG-ZJUUUORDSA-N -1 0 322.369 -0.979 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCC(=O)N1C ZINC001085781022 825110382 /nfs/dbraw/zinc/11/03/82/825110382.db2.gz JSODTEJGVOOWJF-NXEZZACHSA-N -1 0 322.369 -0.836 20 0 DBADRM CO[C@H](C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C(C)C ZINC001114781876 828742757 /nfs/dbraw/zinc/74/27/57/828742757.db2.gz YNPGQBAABMKLLS-SPFNVWMYSA-N -1 0 309.370 -0.272 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cn(C)c(=O)[nH]1 ZINC001085800355 825115756 /nfs/dbraw/zinc/11/57/56/825115756.db2.gz RNDQGTVNZBWEJR-QMMMGPOBSA-N -1 0 321.341 -0.704 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ncccn1 ZINC001085884869 825132235 /nfs/dbraw/zinc/13/22/35/825132235.db2.gz MVNBTANQRCTEEM-VIFPVBQESA-N -1 0 303.326 -0.353 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cccnn1 ZINC001085887956 825133400 /nfs/dbraw/zinc/13/34/00/825133400.db2.gz MGDBQAFTMCPNQW-SECBINFHSA-N -1 0 303.326 -0.353 20 0 DBADRM CN(C[C@H]1CCN1CC(N)=O)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001085924379 825139156 /nfs/dbraw/zinc/13/91/56/825139156.db2.gz VETWXWYKCJWVGF-MRVPVSSYSA-N -1 0 319.321 -0.440 20 0 DBADRM CC1(C)[C@H](NC(=O)C(N)=O)[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)[C@@H]21 ZINC001087302071 825326670 /nfs/dbraw/zinc/32/66/70/825326670.db2.gz MZZGKCUCLGGLPG-QNSHHTMESA-N -1 0 322.369 -0.899 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)Cn2nccn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087587558 825344450 /nfs/dbraw/zinc/34/44/50/825344450.db2.gz VPOLLTVPYMLHAM-VHSXEESVSA-N -1 0 320.357 -0.729 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)n(C)n1 ZINC001088484638 825428553 /nfs/dbraw/zinc/42/85/53/825428553.db2.gz RCGJJZYISXPCCI-ZJUUUORDSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1nn(C)cc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001088498373 825429559 /nfs/dbraw/zinc/42/95/59/825429559.db2.gz WDYXLCRGYXVVHA-KOLCDFICSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1c(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)nnn1C ZINC001088503712 825431153 /nfs/dbraw/zinc/43/11/53/825431153.db2.gz WMUNRKKSTYWUJZ-APPZFPTMSA-N -1 0 320.357 -0.660 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088502766 825431175 /nfs/dbraw/zinc/43/11/75/825431175.db2.gz YUKCNPFDDFZJEI-SCZZXKLOSA-N -1 0 305.342 -0.445 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ncnn3C)[C@@H]2C)c1[O-] ZINC001088525695 825433074 /nfs/dbraw/zinc/43/30/74/825433074.db2.gz JWNCJFMGBGMNQH-ZJUUUORDSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3cnnn3C)[C@@H]2C)c1[O-] ZINC001088525761 825433394 /nfs/dbraw/zinc/43/33/94/825433394.db2.gz MQHOGJYSGWZODB-KOLCDFICSA-N -1 0 319.369 -0.055 20 0 DBADRM CC(=O)N1CC(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)C1 ZINC001088541519 825435488 /nfs/dbraw/zinc/43/54/88/825435488.db2.gz ISRHZJZLMMNHSK-KCJUWKMLSA-N -1 0 322.369 -0.932 20 0 DBADRM CCn1nncc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001088556308 825439089 /nfs/dbraw/zinc/43/90/89/825439089.db2.gz RSWBZQUAVYQCHY-BDAKNGLRSA-N -1 0 320.357 -0.486 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088603307 825444404 /nfs/dbraw/zinc/44/44/04/825444404.db2.gz HHMGAPGZRKHMMR-UTLUCORTSA-N -1 0 322.369 -0.932 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCNC2=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088638586 825446966 /nfs/dbraw/zinc/44/69/66/825446966.db2.gz MVNAJFFVJAHZJI-UTLUCORTSA-N -1 0 322.369 -0.885 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cncn2C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088712220 825455021 /nfs/dbraw/zinc/45/50/21/825455021.db2.gz YALFKKZHGOXYHM-BDAKNGLRSA-N -1 0 305.342 -0.363 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088765838 825456854 /nfs/dbraw/zinc/45/68/54/825456854.db2.gz QOUOSCJFHAJJSJ-TVLCNXBWSA-N -1 0 322.369 -0.885 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001089074164 825491901 /nfs/dbraw/zinc/49/19/01/825491901.db2.gz JWAUNMFLXVQAIF-ZJUUUORDSA-N -1 0 305.342 -0.514 20 0 DBADRM C[C@H](C[C@@H](C)Nc1ncccn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001089359835 825500088 /nfs/dbraw/zinc/50/00/88/825500088.db2.gz TWIKOIHIBGIUGW-RKDXNWHRSA-N -1 0 321.341 -0.125 20 0 DBADRM CCN(c1ncccn1)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001089674640 825520276 /nfs/dbraw/zinc/52/02/76/825520276.db2.gz NGVPIWAYUZKJBF-SECBINFHSA-N -1 0 321.341 -0.490 20 0 DBADRM CC(C)(F)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090004073 825544007 /nfs/dbraw/zinc/54/40/07/825544007.db2.gz YXJFXPIVHNYSCD-JGVFFNPUSA-N -1 0 301.322 -0.690 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)o1 ZINC001090050896 825552577 /nfs/dbraw/zinc/55/25/77/825552577.db2.gz QLHDHEAFSDANBB-ZJUUUORDSA-N -1 0 321.337 -0.223 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)on1 ZINC001090067779 825556432 /nfs/dbraw/zinc/55/64/32/825556432.db2.gz GXSXPUICCDZNRR-IUCAKERBSA-N -1 0 322.325 -0.828 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cncs1 ZINC001090111593 825572618 /nfs/dbraw/zinc/57/26/18/825572618.db2.gz COFGIZNAAVOEMK-HTQZYQBOSA-N -1 0 324.366 -0.668 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1=CCCC1 ZINC001090187960 825591745 /nfs/dbraw/zinc/59/17/45/825591745.db2.gz AAVOCXQYJGNYQY-WDEREUQCSA-N -1 0 307.354 -0.328 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccns1 ZINC001090302995 825628546 /nfs/dbraw/zinc/62/85/46/825628546.db2.gz HQTMZAADZGEULI-HTQZYQBOSA-N -1 0 324.366 -0.668 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccns1 ZINC001090302997 825629232 /nfs/dbraw/zinc/62/92/32/825629232.db2.gz HQTMZAADZGEULI-SFYZADRCSA-N -1 0 324.366 -0.668 20 0 DBADRM Cc1cocc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090498346 825720776 /nfs/dbraw/zinc/72/07/76/825720776.db2.gz ZYINHUJUQHFIIO-MNOVXSKESA-N -1 0 321.337 -0.223 20 0 DBADRM O=C(Cc1ccco1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090665381 825791662 /nfs/dbraw/zinc/79/16/62/825791662.db2.gz RSOSCARRGKUDIM-WDEREUQCSA-N -1 0 321.337 -0.603 20 0 DBADRM O=C(Cc1ccco1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090665380 825791760 /nfs/dbraw/zinc/79/17/60/825791760.db2.gz RSOSCARRGKUDIM-QWRGUYRKSA-N -1 0 321.337 -0.603 20 0 DBADRM Cc1c[nH]cc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090804223 825849093 /nfs/dbraw/zinc/84/90/93/825849093.db2.gz GQKYLKVLJVVBRA-QWRGUYRKSA-N -1 0 320.353 -0.488 20 0 DBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)c1ncc[nH]1)C2 ZINC001091653328 825974295 /nfs/dbraw/zinc/97/42/95/825974295.db2.gz YDERXQUXQJFPJT-OTYXRUKQSA-N -1 0 317.353 -0.173 20 0 DBADRM CCC(=O)N[C@@H]1CC2(CN(Cc3n[nH]c(=O)[n-]3)C2)n2ccnc21 ZINC001092336945 826025340 /nfs/dbraw/zinc/02/53/40/826025340.db2.gz QXEKTOZGXAZOOD-SECBINFHSA-N -1 0 317.353 -0.111 20 0 DBADRM CCC(=O)N[C@H]1CC2(CN(Cc3n[nH]c(=O)[n-]3)C2)n2ccnc21 ZINC001092336946 826025859 /nfs/dbraw/zinc/02/58/59/826025859.db2.gz QXEKTOZGXAZOOD-VIFPVBQESA-N -1 0 317.353 -0.111 20 0 DBADRM COc1cc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)on1 ZINC001273975646 832997391 /nfs/dbraw/zinc/99/73/91/832997391.db2.gz UXYMLOJAWDIGRU-NSCUHMNNSA-N -1 0 308.298 -0.417 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)c1cnon1 ZINC001093068207 826084654 /nfs/dbraw/zinc/08/46/54/826084654.db2.gz UJGXXPQRIJOFLV-HTQZYQBOSA-N -1 0 307.314 -0.609 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNc1ccnc(C2CC2)n1 ZINC001093779718 826167776 /nfs/dbraw/zinc/16/77/76/826167776.db2.gz ULXXHMDKLSSXMK-UHFFFAOYSA-N -1 0 319.325 -0.415 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCNc1ncccn1 ZINC001093789177 826169433 /nfs/dbraw/zinc/16/94/33/826169433.db2.gz YVOKUWZKHWPJHF-UHFFFAOYSA-N -1 0 314.309 -0.911 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CC(=O)N(C3CN(C(C)C)C3)C2)c1[O-] ZINC001094721804 826270912 /nfs/dbraw/zinc/27/09/12/826270912.db2.gz KXWXWGZBNQLGNH-JTQLQIEISA-N -1 0 321.381 -0.153 20 0 DBADRM CCN1CC(N2C[C@H](NC(=O)c3[nH]nc(C)c3[O-])CC2=O)C1 ZINC001094722204 826270950 /nfs/dbraw/zinc/27/09/50/826270950.db2.gz QDHNKVYSTMJRQC-SECBINFHSA-N -1 0 307.354 -0.541 20 0 DBADRM Cc1nsc(NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001094888736 826298327 /nfs/dbraw/zinc/29/83/27/826298327.db2.gz VVMKHRVCWGMCLU-UHFFFAOYSA-N -1 0 311.327 -0.325 20 0 DBADRM Cc1ncc(C)c(NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001094888690 826298439 /nfs/dbraw/zinc/29/84/39/826298439.db2.gz SYAYBZYIGNTUIQ-UHFFFAOYSA-N -1 0 319.325 -0.078 20 0 DBADRM O=C(Cn1nccn1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001095471738 826326422 /nfs/dbraw/zinc/32/64/22/826326422.db2.gz WZLOQHHAZVUOTG-UTLUCORTSA-N -1 0 318.341 -0.977 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001095856965 826347326 /nfs/dbraw/zinc/34/73/26/826347326.db2.gz VPOZPKUTOFENBC-VGMNWLOBSA-N -1 0 318.341 -0.528 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001095890397 826349203 /nfs/dbraw/zinc/34/92/03/826349203.db2.gz HCUKRBCDWXIGRH-JXMGNPHCSA-N -1 0 319.365 -0.376 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1n[nH]cc1F ZINC001095977503 826354598 /nfs/dbraw/zinc/35/45/98/826354598.db2.gz GVLFGVIRNWWODS-YEPSODPASA-N -1 0 321.316 -0.092 20 0 DBADRM O=C(CCc1ccon1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001274201511 833043516 /nfs/dbraw/zinc/04/35/16/833043516.db2.gz ABPAHKYTEKIFGC-OWOJBTEDSA-N -1 0 306.326 -0.107 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCO1 ZINC001096770475 826395248 /nfs/dbraw/zinc/39/52/48/826395248.db2.gz LYSCRDIREXHOMC-ZNSHCXBVSA-N -1 0 307.354 -0.089 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)C1=COCCO1 ZINC001096763445 826395671 /nfs/dbraw/zinc/39/56/71/826395671.db2.gz JXWBWFGRTUQRKX-BBBLOLIVSA-N -1 0 321.337 -0.380 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cnns1 ZINC001096843970 826399072 /nfs/dbraw/zinc/39/90/72/826399072.db2.gz FBRLRSIXTDIKFU-PRJMDXOYSA-N -1 0 321.366 -0.103 20 0 DBADRM Cn1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001096872159 826400084 /nfs/dbraw/zinc/40/00/84/826400084.db2.gz YEFJAJRVLUNRED-BBBLOLIVSA-N -1 0 317.353 -0.221 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1n[nH]cc1F ZINC001097796821 826434625 /nfs/dbraw/zinc/43/46/25/826434625.db2.gz GVLFGVIRNWWODS-VDAHYXPESA-N -1 0 321.316 -0.092 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1cnc(F)cn1 ZINC001097976534 826443500 /nfs/dbraw/zinc/44/35/00/826443500.db2.gz KTXCFZQJZWTOFI-LURJTMIESA-N -1 0 311.277 -0.765 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)Nc1cc(F)ncn1 ZINC001098178617 826453185 /nfs/dbraw/zinc/45/31/85/826453185.db2.gz QBIFCTJNUJQTFG-ZETCQYMHSA-N -1 0 322.300 -0.355 20 0 DBADRM Cc1cc(N[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)nc(C)n1 ZINC001098435395 826482352 /nfs/dbraw/zinc/48/23/52/826482352.db2.gz MYNIQVDXMLAXEO-SSDOTTSWSA-N -1 0 319.325 -0.080 20 0 DBADRM Cc1nnc([C@H](C)NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001161864026 833061085 /nfs/dbraw/zinc/06/10/85/833061085.db2.gz VHAWSWSXGGXAAU-LURJTMIESA-N -1 0 323.313 -0.555 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@]12CCC[C@H]1C[N@@H+](CCF)C2 ZINC001099138292 826551759 /nfs/dbraw/zinc/55/17/59/826551759.db2.gz DBWFNLVJUVUBIF-ZANVPECISA-N -1 0 313.333 -0.371 20 0 DBADRM CN(C)C(=O)CN1C[C@@H]2CCN(C(=O)c3cc(=O)[nH][n-]3)[C@@H]2C1 ZINC001274428743 833075255 /nfs/dbraw/zinc/07/52/55/833075255.db2.gz OIPZDAWLISBQJB-GXSJLCMTSA-N -1 0 307.354 -0.650 20 0 DBADRM CCC(CC)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099695989 826621462 /nfs/dbraw/zinc/62/14/62/826621462.db2.gz RAJVDFRUWAVLAO-GHMZBOCLSA-N -1 0 311.386 -0.002 20 0 DBADRM CN1CCO[C@]2(CCCN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C2)C1 ZINC001274501853 833086921 /nfs/dbraw/zinc/08/69/21/833086921.db2.gz KRPTVQNKKUSJBJ-CQSZACIVSA-N -1 0 308.338 -1.000 20 0 DBADRM O=C(CCC(F)F)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099924570 826731647 /nfs/dbraw/zinc/73/16/47/826731647.db2.gz WUABAJIQSKFTQH-SFYZADRCSA-N -1 0 319.312 -0.393 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)c1nc(=O)o[n-]1 ZINC001162934749 833124113 /nfs/dbraw/zinc/12/41/13/833124113.db2.gz FYLJTJFDIDMMIV-RCOVLWMOSA-N -1 0 310.310 -0.381 20 0 DBADRM Cc1nsc(N(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001100415936 826961278 /nfs/dbraw/zinc/96/12/78/826961278.db2.gz MIHDMHPAFIBVBR-UHFFFAOYSA-N -1 0 311.327 -0.691 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)c1cccc(F)n1 ZINC001100577680 826986621 /nfs/dbraw/zinc/98/66/21/826986621.db2.gz KQXMULXWRCEGAU-UHFFFAOYSA-N -1 0 324.316 -0.134 20 0 DBADRM NC(=O)[C@H]1CC12CN(C(=O)c1ccccc1S(=O)(=O)[O-])C2 ZINC001275010033 833146407 /nfs/dbraw/zinc/14/64/07/833146407.db2.gz MTSRCLCODGBWKP-SECBINFHSA-N -1 0 310.331 -0.119 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNc2ccc3nnnn3n2)c1[O-] ZINC001101554964 827116009 /nfs/dbraw/zinc/11/60/09/827116009.db2.gz ADABIMASIDSDJG-UHFFFAOYSA-N -1 0 317.313 -0.559 20 0 DBADRM Cc1nccc(NCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001101719191 827140328 /nfs/dbraw/zinc/14/03/28/827140328.db2.gz IMPQWNMCGSGMKN-UHFFFAOYSA-N -1 0 307.314 -0.642 20 0 DBADRM Cc1ccnc(NCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001101719275 827140381 /nfs/dbraw/zinc/14/03/81/827140381.db2.gz NEOPWYNOGYXAHB-UHFFFAOYSA-N -1 0 307.314 -0.642 20 0 DBADRM Cc1nsc(NCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001101719341 827140605 /nfs/dbraw/zinc/14/06/05/827140605.db2.gz RGXPMRSHQQKLBI-UHFFFAOYSA-N -1 0 313.343 -0.580 20 0 DBADRM CN(CCNc1cnc(F)cn1)C(=O)c1cnc([O-])n(C)c1=O ZINC001101887186 827159116 /nfs/dbraw/zinc/15/91/16/827159116.db2.gz ZEDCAILSAUDWOV-UHFFFAOYSA-N -1 0 322.300 -0.401 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCn3cnnc3C2)nc1 ZINC001163679103 833162246 /nfs/dbraw/zinc/16/22/46/833162246.db2.gz FLRSGUIMMTVBEX-UHFFFAOYSA-N -1 0 322.350 -0.482 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1ccc(C)nn1 ZINC001103159108 827269444 /nfs/dbraw/zinc/26/94/44/827269444.db2.gz XRCQKIIBXVNQCA-VIFPVBQESA-N -1 0 321.341 -0.205 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ncc(F)cn1 ZINC001103374150 827281369 /nfs/dbraw/zinc/28/13/69/827281369.db2.gz PPHMPXGYPXGFDF-SSDOTTSWSA-N -1 0 323.288 -0.168 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1cnc(F)cn1 ZINC001103374641 827281882 /nfs/dbraw/zinc/28/18/82/827281882.db2.gz WNRTVYFSVLDZPB-ZCFIWIBFSA-N -1 0 323.288 -0.168 20 0 DBADRM CN1C[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)OCC1=O ZINC001275466103 833181658 /nfs/dbraw/zinc/18/16/58/833181658.db2.gz YFGBYLNJLKNPNG-LLVKDONJSA-N -1 0 300.340 -0.969 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNc1cnc(F)cn1 ZINC001104273048 827334930 /nfs/dbraw/zinc/33/49/30/827334930.db2.gz NIQADEAIPDRXSD-ZCFIWIBFSA-N -1 0 323.288 -0.310 20 0 DBADRM Cn1[n-]c(C(=O)N2Cc3ccnn3CC[C@@H]2C(N)=O)cc1=O ZINC001275610400 833193670 /nfs/dbraw/zinc/19/36/70/833193670.db2.gz SBJNSJRFKCMWRT-SNVBAGLBSA-N -1 0 304.310 -0.778 20 0 DBADRM Cn1[n-]c(C(=O)N2CC3(C[C@H]3C(=O)Nc3nnco3)C2)cc1=O ZINC001275610107 833193724 /nfs/dbraw/zinc/19/37/24/833193724.db2.gz NNXFMLOFUIRVOJ-ZETCQYMHSA-N -1 0 318.293 -0.391 20 0 DBADRM C[C@@H]1c2nc(C(N)=O)cn2CCN1C(=O)c1cc(=O)n(C)[n-]1 ZINC001275610087 833193741 /nfs/dbraw/zinc/19/37/41/833193741.db2.gz MZVOINVHRZYZQO-SSDOTTSWSA-N -1 0 304.310 -0.362 20 0 DBADRM CN(C)C(=O)c1cnc2n1CCN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001275610491 833194163 /nfs/dbraw/zinc/19/41/63/833194163.db2.gz VHVWFBYGQKPBPY-UHFFFAOYSA-N -1 0 318.337 -0.320 20 0 DBADRM COCCN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cc(=O)n(C)[n-]1 ZINC001275610656 833194169 /nfs/dbraw/zinc/19/41/69/833194169.db2.gz XONLPTLOMSBCQE-ZUZCIYMTSA-N -1 0 322.365 -0.165 20 0 DBADRM CC(C)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ncccn1 ZINC001105306443 827422877 /nfs/dbraw/zinc/42/28/77/827422877.db2.gz KJMONVONHNUIMW-MRVPVSSYSA-N -1 0 319.325 -0.061 20 0 DBADRM Cc1ccnc(N(C)CCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001105437060 827448412 /nfs/dbraw/zinc/44/84/12/827448412.db2.gz VUCCDLFRCHIVLK-UHFFFAOYSA-N -1 0 321.341 -0.617 20 0 DBADRM COc1ccnc(NC[C@@H](O)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001105819739 827522285 /nfs/dbraw/zinc/52/22/85/827522285.db2.gz KHJXYTPNOCOPNV-QMMMGPOBSA-N -1 0 322.325 -0.575 20 0 DBADRM C[C@H](CCNc1ncccn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001106644549 827667540 /nfs/dbraw/zinc/66/75/40/827667540.db2.gz TYQQKOIRVHQVFG-SSDOTTSWSA-N -1 0 305.298 -0.307 20 0 DBADRM CCN(CCNc1ccnc(C)n1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001106813912 827679651 /nfs/dbraw/zinc/67/96/51/827679651.db2.gz ZKVLQFCPNZMFMI-UHFFFAOYSA-N -1 0 321.341 -0.252 20 0 DBADRM CCN(CCNc1nccc(C)n1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001107001144 827692644 /nfs/dbraw/zinc/69/26/44/827692644.db2.gz ZWRHYWQUYSFVKW-UHFFFAOYSA-N -1 0 319.325 -0.045 20 0 DBADRM O=C(Nc1cn[nH]c1)[C@H]1CC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276019999 833235497 /nfs/dbraw/zinc/23/54/97/833235497.db2.gz XQWNUTFCLHYLMU-MRVPVSSYSA-N -1 0 302.294 -0.061 20 0 DBADRM O=C(NC12CC(C(=O)NCC3COC3)(C1)C2)c1cc(=O)[nH][n-]1 ZINC001276023153 833235803 /nfs/dbraw/zinc/23/58/03/833235803.db2.gz QGNLJGIXEXPKEK-UHFFFAOYSA-N -1 0 306.322 -0.470 20 0 DBADRM O=C(NCC1COC1)[C@@H]1CC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276023096 833236044 /nfs/dbraw/zinc/23/60/44/833236044.db2.gz PGLKWFISLODDRY-VIFPVBQESA-N -1 0 306.322 -0.660 20 0 DBADRM O=C(NC12CC(C(=O)NCc3c[nH]cn3)(C1)C2)c1cc(=O)[nH][n-]1 ZINC001276023865 833236973 /nfs/dbraw/zinc/23/69/73/833236973.db2.gz ZDILQCRVBCBJNF-UHFFFAOYSA-N -1 0 316.321 -0.193 20 0 DBADRM CC/C=C(/C)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001276028536 833237775 /nfs/dbraw/zinc/23/77/75/833237775.db2.gz YEFPBSMPXMVEGD-WMZJFQQLSA-N -1 0 309.370 -0.080 20 0 DBADRM O=C1NCCN(c2nc[n-]c3nc(=S)sc2-3)C12CNC2 ZINC001165302530 833240133 /nfs/dbraw/zinc/24/01/33/833240133.db2.gz RHHPKIQQUZMKAE-UHFFFAOYSA-N -1 0 308.392 -0.347 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC/C=C\CNc1ncccn1 ZINC001107287424 827738110 /nfs/dbraw/zinc/73/81/10/827738110.db2.gz WEWMTRXTZRTOSC-UPHRSURJSA-N -1 0 305.298 -0.736 20 0 DBADRM Cc1nsc(NCC=CCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001107604981 827756333 /nfs/dbraw/zinc/75/63/33/827756333.db2.gz QEVMSBYHWUEEEK-NSCUHMNNSA-N -1 0 323.338 -0.159 20 0 DBADRM Cc1ccnc(NCC=CCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001107604959 827756449 /nfs/dbraw/zinc/75/64/49/827756449.db2.gz PFTIGLDCBVWRBO-IHWYPQMZSA-N -1 0 317.309 -0.221 20 0 DBADRM COCCC(=O)NC[C@@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107666060 827764608 /nfs/dbraw/zinc/76/46/08/827764608.db2.gz PNKNFWCLHDYAQC-ZDUSSCGKSA-N -1 0 313.358 -0.746 20 0 DBADRM C[C@]1(CNC(=O)c2ccn[nH]2)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107759513 827786813 /nfs/dbraw/zinc/78/68/13/827786813.db2.gz UMSPTXKSWBUIDU-ZDUSSCGKSA-N -1 0 321.341 -0.746 20 0 DBADRM CO[C@H](C)C(=O)NC[C@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107779671 827792785 /nfs/dbraw/zinc/79/27/85/827792785.db2.gz QEXYPQLVMVEBNE-NOZJJQNGSA-N -1 0 313.358 -0.748 20 0 DBADRM Cc1nsc(NC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001107869294 827817627 /nfs/dbraw/zinc/81/76/27/827817627.db2.gz VCALYRIAIATBPM-RXMQYKEDSA-N -1 0 313.343 -0.534 20 0 DBADRM C[C@H](CNc1cnc(F)cn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001107868948 827818342 /nfs/dbraw/zinc/81/83/42/827818342.db2.gz FCHDARIEXTXOCX-ZCFIWIBFSA-N -1 0 311.277 -0.765 20 0 DBADRM COCCN1CCO[C@@](C)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001107871569 827819549 /nfs/dbraw/zinc/81/95/49/827819549.db2.gz ICWJIEWMAYYWBU-AWEZNQCLSA-N -1 0 312.370 -0.109 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@]2(C)CN(CCCO)CCO2)c1[O-] ZINC001107871260 827819768 /nfs/dbraw/zinc/81/97/68/827819768.db2.gz AIZKGPGUKANOGG-CQSZACIVSA-N -1 0 312.370 -0.373 20 0 DBADRM C[C@H](CNc1nccnc1F)NC(=O)c1cnc([O-])n(C)c1=O ZINC001108053170 827882974 /nfs/dbraw/zinc/88/29/74/827882974.db2.gz XFRJZPFWHPITML-SSDOTTSWSA-N -1 0 322.300 -0.355 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001108123818 827901483 /nfs/dbraw/zinc/90/14/83/827901483.db2.gz AZTZCHUIDDMKSL-ZANVPECISA-N -1 0 315.349 -0.035 20 0 DBADRM C[C@H](CNc1cnc(F)cn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001108208917 827920333 /nfs/dbraw/zinc/92/03/33/827920333.db2.gz VERCEGOYQRSBJZ-RXMQYKEDSA-N -1 0 309.261 -0.558 20 0 DBADRM Cc1ncc(C)c(NC[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001108208272 827920427 /nfs/dbraw/zinc/92/04/27/827920427.db2.gz AUTHJKQXCNOLQF-SSDOTTSWSA-N -1 0 319.325 -0.080 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCNC(=O)[C@@H]2C)nc1 ZINC001166562521 833274922 /nfs/dbraw/zinc/27/49/22/833274922.db2.gz YCQVDZKCZISYQE-QMMMGPOBSA-N -1 0 312.351 -0.769 20 0 DBADRM CCCC(=O)N[C@@H]1CC(=O)N(C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001108499264 827986694 /nfs/dbraw/zinc/98/66/94/827986694.db2.gz YFIKFAWNTZMBQL-SECBINFHSA-N -1 0 322.369 -0.788 20 0 DBADRM Cc1ccnc(NC[C@H](C)NC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001108634260 828032430 /nfs/dbraw/zinc/03/24/30/828032430.db2.gz MATHNGHQIZSZJL-VIFPVBQESA-N -1 0 318.337 -0.185 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001108902146 828062362 /nfs/dbraw/zinc/06/23/62/828062362.db2.gz BXNZXQYCDKOOOV-SNXWAXQRSA-N -1 0 322.369 -0.744 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001108956474 828071798 /nfs/dbraw/zinc/07/17/98/828071798.db2.gz VHRLWOPQZXXJEH-VWYCJHECSA-N -1 0 322.369 -0.790 20 0 DBADRM CCC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109076141 828084827 /nfs/dbraw/zinc/08/48/27/828084827.db2.gz QDFBCKWVEMEJCE-UTLUCORTSA-N -1 0 322.369 -0.742 20 0 DBADRM C[C@H](CN(C)c1cc(F)ncn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001109310147 828109166 /nfs/dbraw/zinc/10/91/66/828109166.db2.gz ZHJXHAOQICRXCD-ZCFIWIBFSA-N -1 0 323.288 -0.533 20 0 DBADRM Cc1ccnc(NCCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001109495330 828119228 /nfs/dbraw/zinc/11/92/28/828119228.db2.gz PTQCPUSLIAVSOB-UHFFFAOYSA-N -1 0 321.341 -0.252 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109599357 828124897 /nfs/dbraw/zinc/12/48/97/828124897.db2.gz GWUHGONCNWKCOI-JXUBOQSCSA-N -1 0 322.369 -0.757 20 0 DBADRM Cc1ccnc(NCCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001109665509 828129132 /nfs/dbraw/zinc/12/91/32/828129132.db2.gz CWHOGYQFJCLYQK-UHFFFAOYSA-N -1 0 319.325 -0.045 20 0 DBADRM CCOC(=O)[C@H]1NC(=O)c2cc(N[C@@H]3CO[N-]C3=O)ccc2O1 ZINC001167519031 833302071 /nfs/dbraw/zinc/30/20/71/833302071.db2.gz AGOQEUBKCFXMGS-RNCFNFMXSA-N -1 0 321.289 -0.460 20 0 DBADRM CCOC(=O)Cn1ccc2c1ncnc2N[C@@H]1CO[N-]C1=O ZINC001167510940 833302078 /nfs/dbraw/zinc/30/20/78/833302078.db2.gz JFIUUGDJKSHVQN-SECBINFHSA-N -1 0 305.294 -0.164 20 0 DBADRM CN1CCN(C(=O)c2ccnc(N[C@@H]3CO[N-]C3=O)c2)CC1 ZINC001167506611 833302108 /nfs/dbraw/zinc/30/21/08/833302108.db2.gz LREZQOKOEXPLIV-LLVKDONJSA-N -1 0 305.338 -0.689 20 0 DBADRM O=C1[N-]OC[C@H]1Nc1nc(Cl)cc([C@H]2CCC(=O)NC2)n1 ZINC001167513563 833302150 /nfs/dbraw/zinc/30/21/50/833302150.db2.gz NDMYLBUTKMJHIR-POYBYMJQSA-N -1 0 311.729 -0.035 20 0 DBADRM Cc1cc(N[C@@H]2CO[N-]C2=O)cnc1C(=O)N1CCOCC1 ZINC001167523021 833302419 /nfs/dbraw/zinc/30/24/19/833302419.db2.gz VYMIVAFMKWOLMB-LLVKDONJSA-N -1 0 306.322 -0.296 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110893372 828205127 /nfs/dbraw/zinc/20/51/27/828205127.db2.gz GWUHGONCNWKCOI-KYXWUPHJSA-N -1 0 322.369 -0.757 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@]2(O)CCN(c3ncccn3)C2)c1[O-] ZINC001111072713 828227308 /nfs/dbraw/zinc/22/73/08/828227308.db2.gz RGDORBYVNMCGII-AWEZNQCLSA-N -1 0 318.337 -0.415 20 0 DBADRM CN(C)C(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111114106 828235817 /nfs/dbraw/zinc/23/58/17/828235817.db2.gz HKCZFUHENZHIEH-BBBLOLIVSA-N -1 0 322.369 -0.790 20 0 DBADRM COC(=O)c1cnnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001167857596 833311483 /nfs/dbraw/zinc/31/14/83/833311483.db2.gz FHLGFLBRPAPTEG-XNCJUZBTSA-N -1 0 316.295 -0.923 20 0 DBADRM COc1nccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1N ZINC001167859451 833311934 /nfs/dbraw/zinc/31/19/34/833311934.db2.gz RHRUHPOWQFOTSH-XNCJUZBTSA-N -1 0 302.312 -0.514 20 0 DBADRM CCN(C)c1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)ncn1 ZINC001167859108 833312109 /nfs/dbraw/zinc/31/21/09/833312109.db2.gz UXHLYLPGLGTBQH-XVKPBYJWSA-N -1 0 315.355 -0.253 20 0 DBADRM CC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001111569359 828292777 /nfs/dbraw/zinc/29/27/77/828292777.db2.gz SAXLSGLEAPVYIS-HZMBPMFUSA-N -1 0 322.369 -0.883 20 0 DBADRM O=S(=O)([O-])c1cccc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1 ZINC001168050191 833317086 /nfs/dbraw/zinc/31/70/86/833317086.db2.gz VSKOSUOPSOBCDJ-PUYANOKMSA-N -1 0 303.336 -0.552 20 0 DBADRM [NH3+]C1CCN(c2cncc(NCCOP(=O)([O-])[O-])n2)CC1 ZINC001168589653 833325612 /nfs/dbraw/zinc/32/56/12/833325612.db2.gz LLBVWOPTVGGUDD-UHFFFAOYSA-N -1 0 317.286 -0.075 20 0 DBADRM O=C([O-])c1cccc(N2C(=O)C[C@@H](N3CCNC(=O)C3)C2=O)c1 ZINC001115821489 828866675 /nfs/dbraw/zinc/86/66/75/828866675.db2.gz MRFRXNGGSSORIC-LLVKDONJSA-N -1 0 317.301 -0.552 20 0 DBADRM CN(C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC001115884451 828868673 /nfs/dbraw/zinc/86/86/73/828868673.db2.gz ZQPRULDORKRQIY-UHFFFAOYSA-N -1 0 320.371 -0.980 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)nc1 ZINC001116041158 828873842 /nfs/dbraw/zinc/87/38/42/828873842.db2.gz GINIMVUSDIIEAU-UHFFFAOYSA-N -1 0 301.324 -0.723 20 0 DBADRM O=C(CN1CCSC1=O)[N-]S(=O)(=O)Cc1ccon1 ZINC001116190009 828880984 /nfs/dbraw/zinc/88/09/84/828880984.db2.gz AMTKPSACWJCRFP-UHFFFAOYSA-N -1 0 305.337 -0.211 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cn(Cc2ccccn2)nn1 ZINC001116193741 828881140 /nfs/dbraw/zinc/88/11/40/828881140.db2.gz GPQQHQDQTPFTTR-UHFFFAOYSA-N -1 0 300.282 -0.525 20 0 DBADRM C[C@@H](O)[C@@H](O)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001168763117 833328394 /nfs/dbraw/zinc/32/83/94/833328394.db2.gz AYCGQYWGJSBZNA-KCJUWKMLSA-N -1 0 323.374 -0.457 20 0 DBADRM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)NC(C)C ZINC001116438817 828895442 /nfs/dbraw/zinc/89/54/42/828895442.db2.gz QGMCZWYCFUKXSL-ZJUUUORDSA-N -1 0 301.368 -0.468 20 0 DBADRM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)NC(C)C ZINC001116438816 828895521 /nfs/dbraw/zinc/89/55/21/828895521.db2.gz QGMCZWYCFUKXSL-VHSXEESVSA-N -1 0 301.368 -0.468 20 0 DBADRM CC(C)(C)n1nccc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001116509325 828898584 /nfs/dbraw/zinc/89/85/84/828898584.db2.gz PNYLLZMLJWXEPR-UHFFFAOYSA-N -1 0 307.314 -0.283 20 0 DBADRM NC(=O)NCCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001116520429 828899699 /nfs/dbraw/zinc/89/96/99/828899699.db2.gz IJTONEAGZWFCIJ-VIFPVBQESA-N -1 0 307.372 -0.550 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001116625683 828904497 /nfs/dbraw/zinc/90/44/97/828904497.db2.gz NVPSRVMPSOPXSO-RDFMZFSFSA-N -1 0 307.306 -0.594 20 0 DBADRM O=C(NCc1nnn[n-]1)c1[nH]ncc1I ZINC001116650318 828905508 /nfs/dbraw/zinc/90/55/08/828905508.db2.gz RPSKWJSGPXWNIW-UHFFFAOYSA-N -1 0 319.066 -0.543 20 0 DBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)Cc1ccc(Cl)nc1 ZINC001116659692 828905873 /nfs/dbraw/zinc/90/58/73/828905873.db2.gz IVAOCXNXTZHRKB-QMMMGPOBSA-N -1 0 308.743 -0.010 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC001116684630 828907347 /nfs/dbraw/zinc/90/73/47/828907347.db2.gz IAPSJOYNCLAQIF-RKDXNWHRSA-N -1 0 311.381 -0.630 20 0 DBADRM Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1c[n-]n3c1nccc3=O)C2 ZINC001168939350 833331524 /nfs/dbraw/zinc/33/15/24/833331524.db2.gz PHNSJRUQIYGNPV-UHFFFAOYSA-N -1 0 312.289 -0.017 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC001116735032 828910626 /nfs/dbraw/zinc/91/06/26/828910626.db2.gz IRSUNEVJRQFRRF-UHFFFAOYSA-N -1 0 313.335 -0.157 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC001116735262 828910665 /nfs/dbraw/zinc/91/06/65/828910665.db2.gz RFAMLWGDWFRBQB-UHFFFAOYSA-N -1 0 320.305 -0.493 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H](C)c1nnc2ccccn21 ZINC001117036716 828933423 /nfs/dbraw/zinc/93/34/23/828933423.db2.gz XJCYIULWRHQFRJ-SECBINFHSA-N -1 0 307.310 -0.399 20 0 DBADRM O=C([N-]OC1CCCCC1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001117069902 828938173 /nfs/dbraw/zinc/93/81/73/828938173.db2.gz SVQTYZRGXXCZAY-SNVBAGLBSA-N -1 0 318.395 -0.082 20 0 DBADRM C[C@@H](CN1CCCC1=O)NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001117145121 828946932 /nfs/dbraw/zinc/94/69/32/828946932.db2.gz RXWVAYBDCPDLSF-QWRGUYRKSA-N -1 0 313.354 -0.802 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCC1CCS(=O)(=O)CC1 ZINC001117308061 828959130 /nfs/dbraw/zinc/95/91/30/828959130.db2.gz JKAWYLNMBOOLTG-UHFFFAOYSA-N -1 0 324.424 -0.662 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NC[C@@H]1CCCN(C(C)=O)C1 ZINC001117354268 828966594 /nfs/dbraw/zinc/96/65/94/828966594.db2.gz BAQZLAHPDNNTSE-NSHDSACASA-N -1 0 317.411 -0.228 20 0 DBADRM CC(C)(C)[S@@](=O)CCNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001117365342 828967852 /nfs/dbraw/zinc/96/78/52/828967852.db2.gz GJTPJYDBYYOMDP-NRFANRHFSA-N -1 0 320.411 -0.123 20 0 DBADRM Cn1nncc1CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001117527403 828988871 /nfs/dbraw/zinc/98/88/71/828988871.db2.gz JLVSSYSKPXRAOC-UHFFFAOYSA-N -1 0 301.266 -0.506 20 0 DBADRM CC(C)(O)CO[N-]C(=O)CNS(=O)(=O)c1ccccc1 ZINC001117937578 829024485 /nfs/dbraw/zinc/02/44/85/829024485.db2.gz GDRIKBOHVYAWTE-UHFFFAOYSA-N -1 0 302.352 -0.216 20 0 DBADRM Cc1c(CC[NH3+])c(=O)[n-]n1-c1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001170342574 833350865 /nfs/dbraw/zinc/35/08/65/833350865.db2.gz IOQLYNLDKRAVRQ-UHFFFAOYSA-N -1 0 322.346 -0.180 20 0 DBADRM CCn1cccc(CNC(=O)C(=O)NCCCC(=O)[O-])c1=O ZINC001118190967 829048194 /nfs/dbraw/zinc/04/81/94/829048194.db2.gz PXQZOKPOEWULDC-UHFFFAOYSA-N -1 0 309.322 -0.535 20 0 DBADRM O=C(Cc1cn2ccccc2n1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001170374969 833352077 /nfs/dbraw/zinc/35/20/77/833352077.db2.gz BPYIONHBVQHYPV-LLVKDONJSA-N -1 0 313.321 -0.010 20 0 DBADRM O=C(c1ccc2nc[nH]c2n1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001170376030 833352132 /nfs/dbraw/zinc/35/21/32/833352132.db2.gz SOKVXPSBJOGMQT-VIFPVBQESA-N -1 0 300.282 -0.315 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCc2ccccn2)CCOCC1 ZINC001118255042 829057081 /nfs/dbraw/zinc/05/70/81/829057081.db2.gz OIZXIGFKQAWVER-UHFFFAOYSA-N -1 0 321.333 -0.305 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)CC(C)(C)OC ZINC001118289666 829064058 /nfs/dbraw/zinc/06/40/58/829064058.db2.gz LIYRPZXNRCSKCO-SECBINFHSA-N -1 0 303.359 -0.510 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001118301859 829065724 /nfs/dbraw/zinc/06/57/24/829065724.db2.gz VNZMHRIHVZOJMJ-MNOVXSKESA-N -1 0 313.354 -0.945 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@@H]1CC(=O)N(CC)C1 ZINC001118301209 829065735 /nfs/dbraw/zinc/06/57/35/829065735.db2.gz MSQCILFAECAYDJ-JTQLQIEISA-N -1 0 301.343 -0.945 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC2(C1)CCOCC2 ZINC001118301891 829065803 /nfs/dbraw/zinc/06/58/03/829065803.db2.gz VXJIDIYYADDYTN-UHFFFAOYSA-N -1 0 313.354 -0.801 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(C(=O)NC)c1 ZINC001118314351 829067807 /nfs/dbraw/zinc/06/78/07/829067807.db2.gz WSJZKWVSAASSEX-UHFFFAOYSA-N -1 0 322.321 -0.831 20 0 DBADRM COC(=O)NC1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC001118327097 829069467 /nfs/dbraw/zinc/06/94/67/829069467.db2.gz YDSKLSIKSMAXJF-SECBINFHSA-N -1 0 315.326 -0.974 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)c2ccccc21 ZINC001118344587 829072198 /nfs/dbraw/zinc/07/21/98/829072198.db2.gz MAAXWZXQJFRSSQ-GHMZBOCLSA-N -1 0 317.301 -0.032 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)c2ccccc21 ZINC001118344589 829072207 /nfs/dbraw/zinc/07/22/07/829072207.db2.gz MAAXWZXQJFRSSQ-MNOVXSKESA-N -1 0 317.301 -0.032 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1Cc2ccccc21 ZINC001118348220 829073213 /nfs/dbraw/zinc/07/32/13/829073213.db2.gz LDPNDQFGMRFOEP-NSHDSACASA-N -1 0 305.334 -0.374 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1ccccc1CC(=O)OC ZINC001118348647 829073283 /nfs/dbraw/zinc/07/32/83/829073283.db2.gz JGUVFEGVONKVSY-UHFFFAOYSA-N -1 0 324.333 -0.288 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cccc2cc[nH]c21 ZINC001118352943 829074047 /nfs/dbraw/zinc/07/40/47/829074047.db2.gz NJIGPLHLLGJUBE-UHFFFAOYSA-N -1 0 318.333 -0.032 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001118353337 829074152 /nfs/dbraw/zinc/07/41/52/829074152.db2.gz DKQZOLGWKYAHGQ-JMJZKYOTSA-N -1 0 313.354 -0.900 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1c(C)noc1C ZINC001118352267 829074501 /nfs/dbraw/zinc/07/45/01/829074501.db2.gz DEMFNTFPUZEGFK-UHFFFAOYSA-N -1 0 312.326 -0.866 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1c(C)cccc1F ZINC001118355136 829074825 /nfs/dbraw/zinc/07/48/25/829074825.db2.gz WFKVMCUEGJCHBP-UHFFFAOYSA-N -1 0 311.313 -0.066 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ncn(C)n1)C(=O)[O-] ZINC001118390882 829078949 /nfs/dbraw/zinc/07/89/49/829078949.db2.gz ZNDSDQAHKYRDAX-DTWKUNHWSA-N -1 0 311.342 -0.535 20 0 DBADRM CC[C@@H](CO)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001118480743 829090007 /nfs/dbraw/zinc/09/00/07/829090007.db2.gz NAUOVLOJILHXFA-QMMMGPOBSA-N -1 0 312.326 -0.472 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)CCOC2)C(=O)[O-] ZINC001118480436 829090055 /nfs/dbraw/zinc/09/00/55/829090055.db2.gz BWODHURCNVTAPM-OAHLLOKOSA-N -1 0 322.317 -0.350 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)[C@](C)(OC)C(=O)[O-])CC2 ZINC001118512033 829096499 /nfs/dbraw/zinc/09/64/99/829096499.db2.gz DSPOHVXYNBCGNK-SDBXPKJASA-N -1 0 312.326 -0.655 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC001118512544 829097289 /nfs/dbraw/zinc/09/72/89/829097289.db2.gz MSJOYLMAQXIKEB-SNVBAGLBSA-N -1 0 319.273 -0.858 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001118514261 829097557 /nfs/dbraw/zinc/09/75/57/829097557.db2.gz XZAKAPWIDIKLGP-BXKDBHETSA-N -1 0 322.383 -0.736 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001118542147 829102356 /nfs/dbraw/zinc/10/23/56/829102356.db2.gz NINWTDWHAITXDO-UHFFFAOYSA-N -1 0 308.294 -0.687 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001118575124 829107226 /nfs/dbraw/zinc/10/72/26/829107226.db2.gz RVEBLOVKJOXOSN-GFCCVEGCSA-N -1 0 322.383 -0.736 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC001118752519 829129310 /nfs/dbraw/zinc/12/93/10/829129310.db2.gz MWKYOQIWCNNBKB-NKWVEPMBSA-N -1 0 300.233 -0.497 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(C3CC3)C2)CC[C@H]1C(=O)[O-] ZINC001118899864 829150353 /nfs/dbraw/zinc/15/03/53/829150353.db2.gz DZRTVRBRTPQROP-NSODJVPESA-N -1 0 324.377 -0.071 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)CCc1c(C)nc[nH]c1=O ZINC001118972031 829199897 /nfs/dbraw/zinc/19/98/97/829199897.db2.gz RCYPJOHZWDBXJK-UHFFFAOYSA-N -1 0 316.383 -0.521 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cnn(C)c1C1CC1 ZINC001119070091 829214034 /nfs/dbraw/zinc/21/40/34/829214034.db2.gz BRDHYFUHCDKQGS-UHFFFAOYSA-N -1 0 309.326 -0.580 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](N[C@@H]2SC(=O)[N-]C2=O)C[C@@H]1C(=O)OC ZINC001173563804 833377870 /nfs/dbraw/zinc/37/78/70/833377870.db2.gz CGCYWOZQZMDQEI-JAGXHNFQSA-N -1 0 316.335 -0.374 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001119398498 829257604 /nfs/dbraw/zinc/25/76/04/829257604.db2.gz XIMGVJDXSPMQPI-DDHJBXDOSA-N -1 0 310.350 -0.007 20 0 DBADRM COCCOCCN1CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC001119653824 829286612 /nfs/dbraw/zinc/28/66/12/829286612.db2.gz LTVAIELOZXPVSO-LBPRGKRZSA-N -1 0 302.371 -0.096 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC/C=C/c1ccccc1 ZINC001119787670 829303355 /nfs/dbraw/zinc/30/33/55/829303355.db2.gz GNCZRXKMYOUXKN-RMKNXTFCSA-N -1 0 305.334 0.000 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCN(C)c1ccccc1 ZINC001119794327 829304778 /nfs/dbraw/zinc/30/47/78/829304778.db2.gz JPUMXDZUSBPWBM-UHFFFAOYSA-N -1 0 308.338 -0.967 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC001119799102 829305694 /nfs/dbraw/zinc/30/56/94/829305694.db2.gz RQFUARPPIPLIQZ-LLVKDONJSA-N -1 0 309.297 -0.277 20 0 DBADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC(=O)[N-]OC ZINC001119840865 829312080 /nfs/dbraw/zinc/31/20/80/829312080.db2.gz ORSFAXZBWYQLDS-VHSXEESVSA-N -1 0 317.411 -0.039 20 0 DBADRM CCOC[C@H]1CCCN(C(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001119849518 829312988 /nfs/dbraw/zinc/31/29/88/829312988.db2.gz WLENJJXGXIDHKU-JTQLQIEISA-N -1 0 301.343 -0.945 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)NCC(=O)[N-]OC)C[C@H](CC)O1 ZINC001119848867 829313237 /nfs/dbraw/zinc/31/32/37/829313237.db2.gz RVWYGIHOELIHQJ-AOOOYVTPSA-N -1 0 301.343 -0.804 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCCSC[C@@H]1C1CC1 ZINC001119848240 829313351 /nfs/dbraw/zinc/31/33/51/829313351.db2.gz JVJKXNYKHLXZBA-SNVBAGLBSA-N -1 0 315.395 -0.476 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1C[C@H]1C(F)(F)F ZINC001119884924 829318007 /nfs/dbraw/zinc/31/80/07/829318007.db2.gz MEOFTMLORPOHGA-NKWVEPMBSA-N -1 0 311.260 -0.515 20 0 DBADRM O=C(c1cncc(-n2ccnn2)c1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001175561655 833392196 /nfs/dbraw/zinc/39/21/96/833392196.db2.gz KTXRPPBQJOLNOH-SECBINFHSA-N -1 0 311.309 -0.195 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCS[C@@H](C(C)C)C1 ZINC001119925148 829323848 /nfs/dbraw/zinc/32/38/48/829323848.db2.gz IDMAMZRCHHZZOQ-SECBINFHSA-N -1 0 303.384 -0.620 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)CCc1ccccc1OC ZINC001119925233 829324024 /nfs/dbraw/zinc/32/40/24/829324024.db2.gz KELYFSHIPPRNAM-UHFFFAOYSA-N -1 0 323.349 -0.510 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC2(C[C@H]1C)CCOCC2 ZINC001119925211 829324098 /nfs/dbraw/zinc/32/40/98/829324098.db2.gz JRFBGQYHSLCMFA-SNVBAGLBSA-N -1 0 313.354 -0.802 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)[C@@H]1CC[C@@H](SC)C1 ZINC001119926395 829325187 /nfs/dbraw/zinc/32/51/87/829325187.db2.gz WWAQMOHSGFBQSD-RKDXNWHRSA-N -1 0 303.384 -0.477 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCO[C@@H](C(F)(F)F)CC1 ZINC001120188791 829340772 /nfs/dbraw/zinc/34/07/72/829340772.db2.gz JFQOISAOCYFVNZ-SSDOTTSWSA-N -1 0 324.263 -0.492 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N(C)Cc1ccc(OC)cc1 ZINC001120284029 829348585 /nfs/dbraw/zinc/34/85/85/829348585.db2.gz DFCQMENTBCITMD-UHFFFAOYSA-N -1 0 306.326 -0.004 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])ccc1=O ZINC001120770838 829404806 /nfs/dbraw/zinc/40/48/06/829404806.db2.gz FZLKLZPBFUAPRF-SNVBAGLBSA-N -1 0 307.306 -0.118 20 0 DBADRM Cc1cc(N[C@@H](C)CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001120929312 829411920 /nfs/dbraw/zinc/41/19/20/829411920.db2.gz WOJKQTSQHQOVTP-QMMMGPOBSA-N -1 0 319.325 -0.046 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Nc1cnc(F)cn1 ZINC001120928038 829411974 /nfs/dbraw/zinc/41/19/74/829411974.db2.gz GEPGDAZPFXLVNO-LURJTMIESA-N -1 0 323.288 -0.216 20 0 DBADRM NC(=O)C1=NO[C@@H]2CN(C(=O)c3cc([O-])c(F)c(F)c3)C[C@H]12 ZINC001276174579 833409625 /nfs/dbraw/zinc/40/96/25/833409625.db2.gz PVIAIPLJIQPZTA-IMTBSYHQSA-N -1 0 311.244 -0.018 20 0 DBADRM O=C(NC1C(=O)N=CN=C1[O-])[C@@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176621872 833411671 /nfs/dbraw/zinc/41/16/71/833411671.db2.gz NCEBPKYZEKFQAJ-RXMQYKEDSA-N -1 0 319.277 -0.167 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)Nc2ncc(F)cn2)c1[O-] ZINC001121453256 829483737 /nfs/dbraw/zinc/48/37/37/829483737.db2.gz AHAWARYQIBGPBG-QMMMGPOBSA-N -1 0 310.289 -0.444 20 0 DBADRM Cc1nsc(N[C@@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001121453327 829484115 /nfs/dbraw/zinc/48/41/15/829484115.db2.gz BWHYAWPPLANKRB-SSDOTTSWSA-N -1 0 312.355 -0.214 20 0 DBADRM CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H](OCCOC)C1 ZINC001121741163 829508830 /nfs/dbraw/zinc/50/88/30/829508830.db2.gz CQCQLIIEGRBRMH-JTQLQIEISA-N -1 0 322.369 -0.236 20 0 DBADRM CO[C@H]1CCC[C@H]1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001121816716 829516658 /nfs/dbraw/zinc/51/66/58/829516658.db2.gz DXBQVZLQUGTZEQ-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@H]1CN(C(=O)NCCOCCOCC(=O)[O-])C[C@H](C)O1 ZINC001121840760 829518353 /nfs/dbraw/zinc/51/83/53/829518353.db2.gz ZVWIERWEDHNPKB-PHIMTYICSA-N -1 0 304.343 -0.077 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)[C@@]2(C(=O)[O-])C[NH2+]CCO2)C12CCC2 ZINC001121888133 829523580 /nfs/dbraw/zinc/52/35/80/829523580.db2.gz QBKVYGJRDOHKGI-FIXISWKDSA-N -1 0 312.366 -0.107 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001176840043 833421485 /nfs/dbraw/zinc/42/14/85/833421485.db2.gz GKECHSQJDJFJTH-NSHDSACASA-N -1 0 321.362 -0.183 20 0 DBADRM CC(C)Oc1ncnc2c1CCN(C(=O)Cc1nnn[n-]1)CC2 ZINC001176839837 833422144 /nfs/dbraw/zinc/42/21/44/833422144.db2.gz DXIJIJHVSRSKPT-UHFFFAOYSA-N -1 0 317.353 -0.053 20 0 DBADRM CO[C@H](CNC(=O)[C@@]1(C(=O)[O-])C[NH2+]CCO1)C1CCCC1 ZINC001122154986 829552562 /nfs/dbraw/zinc/55/25/62/829552562.db2.gz WFHNQTIAPAFBCI-BXUZGUMPSA-N -1 0 300.355 -0.249 20 0 DBADRM COc1ccnc(OC2CCN(C(=O)Cc3nnn[n-]3)CC2)n1 ZINC001176842476 833423125 /nfs/dbraw/zinc/42/31/25/833423125.db2.gz JZXPBLDCNWXCNJ-UHFFFAOYSA-N -1 0 319.325 -0.389 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001176840985 833423357 /nfs/dbraw/zinc/42/33/57/833423357.db2.gz OXJLMOPUNPVBOF-MXWKQRLJSA-N -1 0 320.353 -0.973 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001176840967 833423535 /nfs/dbraw/zinc/42/35/35/833423535.db2.gz ZLJUYJBEJHRYKX-QWRGUYRKSA-N -1 0 304.354 -0.256 20 0 DBADRM COc1cnc(O[C@H]2CCN(C(=O)Cc3nnn[n-]3)C2)nc1 ZINC001176842562 833423622 /nfs/dbraw/zinc/42/36/22/833423622.db2.gz NFGBYOWVESBFNK-QMMMGPOBSA-N -1 0 305.298 -0.779 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCn2ncc(Br)c2C1 ZINC001176842651 833423688 /nfs/dbraw/zinc/42/36/88/833423688.db2.gz OSNPGUBUTZEWEE-UHFFFAOYSA-N -1 0 312.131 -0.256 20 0 DBADRM O=C(Cc1nnn[n-]1)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC001176842612 833423749 /nfs/dbraw/zinc/42/37/49/833423749.db2.gz NWRBMJTXKJIGON-UHFFFAOYSA-N -1 0 301.310 -0.683 20 0 DBADRM O=C(Cc1nnn[n-]1)NC1CN(c2ncnc3ccccc32)C1 ZINC001176847305 833424928 /nfs/dbraw/zinc/42/49/28/833424928.db2.gz QBZKENXKOWKXLN-UHFFFAOYSA-N -1 0 310.321 -0.310 20 0 DBADRM O=C(Cc1nnn[n-]1)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001176847077 833425138 /nfs/dbraw/zinc/42/51/38/833425138.db2.gz GWMGQVVPCAZLEA-SNVBAGLBSA-N -1 0 301.310 -0.832 20 0 DBADRM COC(=O)C1CN(c2ccc(NC(=O)Cc3nnn[n-]3)cc2)C1 ZINC001176845035 833425267 /nfs/dbraw/zinc/42/52/67/833425267.db2.gz NFLWDAIIJNGBQG-UHFFFAOYSA-N -1 0 316.321 -0.010 20 0 DBADRM CN(C)C(=O)CN1C[C@H]2CN(Cc3ncccc3O)C[C@@H](C1)O2 ZINC001276591228 833442171 /nfs/dbraw/zinc/44/21/71/833442171.db2.gz PFRZNMSWRRCDLX-BETUJISGSA-N -1 0 320.393 -0.240 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNc2ncc(F)cn2)c1[O-] ZINC001124311067 829737178 /nfs/dbraw/zinc/73/71/78/829737178.db2.gz ZEWZTTUGGFWXNK-SECBINFHSA-N -1 0 324.316 -0.102 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNc2cnc(F)cn2)c1[O-] ZINC001124309443 829737530 /nfs/dbraw/zinc/73/75/30/829737530.db2.gz GKHWDUMNCJQSOQ-MRVPVSSYSA-N -1 0 324.316 -0.102 20 0 DBADRM CCCn1ncnc1CNCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001125729057 829876255 /nfs/dbraw/zinc/87/62/55/829876255.db2.gz RYXLZGMYBLYDCE-UHFFFAOYSA-N -1 0 307.358 -0.055 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1nccnc1NC(=O)C(C)(C)C ZINC001179623089 833553645 /nfs/dbraw/zinc/55/36/45/833553645.db2.gz BQJSRLVTPXRFNZ-UHFFFAOYSA-N -1 0 309.326 -0.131 20 0 DBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001180172305 833571201 /nfs/dbraw/zinc/57/12/01/833571201.db2.gz SCXCRKLQHGLIGS-NTSWFWBYSA-N -1 0 303.208 -0.457 20 0 DBADRM C[C@]1(CO)CCN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])C[C@H]1O ZINC001180172026 833571343 /nfs/dbraw/zinc/57/13/43/833571343.db2.gz JANMCHFRGVMSBU-HZGVNTEJSA-N -1 0 317.235 -0.067 20 0 DBADRM CN1CCO[C@H](CNC(=O)C(F)(F)C(F)(F)C(=O)[O-])C1 ZINC001180176405 833571877 /nfs/dbraw/zinc/57/18/77/833571877.db2.gz ZRVVKAMAHLGDIS-ZCFIWIBFSA-N -1 0 302.224 -0.212 20 0 DBADRM O=C(CN1C[C@@H](c2ccccc2)CC1=O)NCc1nnn[n-]1 ZINC001180311459 833581334 /nfs/dbraw/zinc/58/13/34/833581334.db2.gz BMXUTXCRTSTBKR-NSHDSACASA-N -1 0 300.322 -0.168 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCNCc1ncccn1 ZINC001130556362 830340835 /nfs/dbraw/zinc/34/08/35/830340835.db2.gz CURSEUFEGFCPAE-UHFFFAOYSA-N -1 0 321.341 -0.835 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCNCc1ccon1 ZINC001130556721 830341975 /nfs/dbraw/zinc/34/19/75/830341975.db2.gz VFGGLFHEDAVSDV-UHFFFAOYSA-N -1 0 310.314 -0.637 20 0 DBADRM Cc1nc(CNCCNC(=O)CCc2n[nH]c(=O)[n-]c2=O)co1 ZINC001130756878 830376400 /nfs/dbraw/zinc/37/64/00/830376400.db2.gz FNQRBQDTKRECKH-UHFFFAOYSA-N -1 0 322.325 -0.582 20 0 DBADRM O=C(NCCNCc1n[nH]c(=O)[n-]1)C(=O)Nc1ccccc1 ZINC001130796042 830384840 /nfs/dbraw/zinc/38/48/40/830384840.db2.gz UVMQRKANGNBZAX-UHFFFAOYSA-N -1 0 304.310 -0.645 20 0 DBADRM CC(C)c1nc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001130862879 830400609 /nfs/dbraw/zinc/40/06/09/830400609.db2.gz JEBTWPGIMCUBQT-UHFFFAOYSA-N -1 0 323.313 -0.691 20 0 DBADRM Cc1nc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)c(C)s1 ZINC001130862835 830400675 /nfs/dbraw/zinc/40/06/75/830400675.db2.gz HWJAOWZIKBFHQR-UHFFFAOYSA-N -1 0 324.366 -0.124 20 0 DBADRM O=C(NCCNCc1cc(C2CC2)no1)c1n[nH]c(=O)[n-]c1=O ZINC001130864970 830401491 /nfs/dbraw/zinc/40/14/91/830401491.db2.gz NVVZYFIXVBFBIV-UHFFFAOYSA-N -1 0 320.309 -0.332 20 0 DBADRM CCc1nnc([C@@H](C)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)[nH]1 ZINC001130865353 830402390 /nfs/dbraw/zinc/40/23/90/830402390.db2.gz VRJVZUSWUOEPEQ-ZCFIWIBFSA-N -1 0 322.329 -0.956 20 0 DBADRM CN(C(=O)CCN1C(=O)c2ccccc2C1=O)c1nnn[n-]1 ZINC001131170342 830440060 /nfs/dbraw/zinc/44/00/60/830440060.db2.gz YEEPZSWASSNTNM-UHFFFAOYSA-N -1 0 300.278 -0.151 20 0 DBADRM CCc1cc(=O)n2nc([N-]C(=O)C(=O)c3cnn(C)c3)[nH]c2n1 ZINC001131556015 830485443 /nfs/dbraw/zinc/48/54/43/830485443.db2.gz HZMKPXOOHBZSLM-UHFFFAOYSA-N -1 0 315.293 -0.465 20 0 DBADRM CCC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001131912535 830560116 /nfs/dbraw/zinc/56/01/16/830560116.db2.gz ZLFOBPAUQDQQLP-VHSXEESVSA-N -1 0 324.385 -0.494 20 0 DBADRM CCNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001131984203 830569468 /nfs/dbraw/zinc/56/94/68/830569468.db2.gz HETVVTPXGNPCDR-NXEZZACHSA-N -1 0 324.385 -0.494 20 0 DBADRM Cc1nc(CNCCNC(=O)c2cnc([O-])n(C)c2=O)cs1 ZINC001132247649 830613084 /nfs/dbraw/zinc/61/30/84/830613084.db2.gz AJKMGXAWIJDIRK-UHFFFAOYSA-N -1 0 323.378 -0.230 20 0 DBADRM O=C(Cc1ccc(N2CCNC2=O)cc1)NCc1n[nH]c(=O)[n-]1 ZINC001182054316 833654203 /nfs/dbraw/zinc/65/42/03/833654203.db2.gz IYKDXOYWSIFUCJ-UHFFFAOYSA-N -1 0 316.321 -0.101 20 0 DBADRM O=C(Cn1cc(Cl)c(=O)c(Cl)c1)NCc1nnn[n-]1 ZINC001182113752 833657580 /nfs/dbraw/zinc/65/75/80/833657580.db2.gz FHTHLYXVGHFCFT-UHFFFAOYSA-N -1 0 303.109 -0.015 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2n[nH]c(=O)[n-]2)c1[O-] ZINC001134089580 830886567 /nfs/dbraw/zinc/88/65/67/830886567.db2.gz GJXJUGDOAFDSRY-BQBZGAKWSA-N -1 0 323.357 -0.066 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C[C@@H](C)NCc2nnn(C)n2)c1[O-] ZINC001134100315 830889397 /nfs/dbraw/zinc/88/93/97/830889397.db2.gz OOIISUFPNCVGSO-SFYZADRCSA-N -1 0 322.373 -0.366 20 0 DBADRM CO[N-]C(=O)CNC(=O)/C=C\c1ccc2c(c1)NC(=O)CO2 ZINC001134417078 830934839 /nfs/dbraw/zinc/93/48/39/830934839.db2.gz JMWUVDCGMRGSGJ-HYXAFXHYSA-N -1 0 305.290 -0.176 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC001134414873 830935567 /nfs/dbraw/zinc/93/55/67/830935567.db2.gz SRHALKYPHGESID-QMMMGPOBSA-N -1 0 318.326 -0.218 20 0 DBADRM Cc1cc(CNCCNC(=O)c2c[n-]n3c2nccc3=O)no1 ZINC001134939061 830992692 /nfs/dbraw/zinc/99/26/92/830992692.db2.gz OAPJOIJLXHBWSR-UHFFFAOYSA-N -1 0 316.321 -0.161 20 0 DBADRM O=C(NCCNCc1cnsn1)c1c[n-]n2c1nccc2=O ZINC001134938887 830992934 /nfs/dbraw/zinc/99/29/34/830992934.db2.gz KWXCZQJHUSQHGW-UHFFFAOYSA-N -1 0 319.350 -0.606 20 0 DBADRM COC(=O)[C@H](CC(=O)N[C@@H]1CO[N-]C1=O)Cc1ccccc1 ZINC001182804696 833690832 /nfs/dbraw/zinc/69/08/32/833690832.db2.gz GHLASKDNYSGDJH-NWDGAFQWSA-N -1 0 306.318 -0.045 20 0 DBADRM COC(=O)CNC(=O)C[N-]C(=O)C(F)(F)OCC(F)(F)F ZINC001183197916 833709370 /nfs/dbraw/zinc/70/93/70/833709370.db2.gz SEXYYOZQRROQJG-UHFFFAOYSA-N -1 0 322.186 -0.437 20 0 DBADRM CC1(C(=O)N[C@@H]2SC(=O)[N-]C2=O)CCS(=O)(=O)CC1 ZINC001183649512 833725815 /nfs/dbraw/zinc/72/58/15/833725815.db2.gz PRQZTBKINAFSAX-SSDOTTSWSA-N -1 0 306.365 -0.373 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cnn(Cc2ccccn2)c1 ZINC001136551256 831163980 /nfs/dbraw/zinc/16/39/80/831163980.db2.gz UMKGXDXESCDXEC-UHFFFAOYSA-N -1 0 315.293 -0.032 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001136655873 831164793 /nfs/dbraw/zinc/16/47/93/831164793.db2.gz LJOHADYRFPXVKG-JTACMZLOSA-N -1 0 310.339 -0.854 20 0 DBADRM Cc1cn2nc(C(=O)NCc3nnc([S-])n3C)cc2c(=O)[nH]1 ZINC001136683583 831164816 /nfs/dbraw/zinc/16/48/16/831164816.db2.gz HOFGACQMNXFPRB-UHFFFAOYSA-N -1 0 319.350 -0.322 20 0 DBADRM O=C(NCc1ncc[nH]1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001136798490 831166160 /nfs/dbraw/zinc/16/61/60/831166160.db2.gz MVLDLBSLNAPTFU-UHFFFAOYSA-N -1 0 300.278 -0.081 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCCNC(=O)c1ccc(O)cc1 ZINC001137463458 831169650 /nfs/dbraw/zinc/16/96/50/831169650.db2.gz LQQMWRZWFGKHET-UHFFFAOYSA-N -1 0 318.337 -0.226 20 0 DBADRM Cn1c2cccc(NC(=O)Cn3c(=O)[n-][nH]c3=O)c2oc1=O ZINC001137558591 831169933 /nfs/dbraw/zinc/16/99/33/831169933.db2.gz GBAWOMVAZYPZQY-UHFFFAOYSA-N -1 0 305.250 -0.227 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@@H]2CCNC(=O)C2)ccc1[O-] ZINC001137940805 831172545 /nfs/dbraw/zinc/17/25/45/831172545.db2.gz MPSZPFBGNBQJGN-SSDOTTSWSA-N -1 0 313.335 -0.496 20 0 DBADRM O=C(C[C@H]1CC(=O)NC1=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001138244566 831174427 /nfs/dbraw/zinc/17/44/27/831174427.db2.gz KLVORSRZLGCUQM-ZETCQYMHSA-N -1 0 316.277 -0.641 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCCc1n[n-]c(=S)o1 ZINC001138518502 831176719 /nfs/dbraw/zinc/17/67/19/831176719.db2.gz BGHSJSZXHPOOLE-MRVPVSSYSA-N -1 0 322.412 -0.409 20 0 DBADRM Cn1c(C=O)ccc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001138991620 831179236 /nfs/dbraw/zinc/17/92/36/831179236.db2.gz SKTQCYVVJBBVDN-UHFFFAOYSA-N -1 0 304.310 -0.526 20 0 DBADRM COc1ccc(C=O)c(OCC(=O)Nn2c(=O)[n-][nH]c2=O)c1 ZINC001141573956 831193252 /nfs/dbraw/zinc/19/32/52/831193252.db2.gz WFLLAGYCTJCZLG-UHFFFAOYSA-N -1 0 308.250 -0.341 20 0 DBADRM Cn1cc(CCNC(=O)c2cccc(-n3[n-]nnc3=N)c2)cn1 ZINC001141819389 831195558 /nfs/dbraw/zinc/19/55/58/831195558.db2.gz UGMJAZASRSJOSA-UHFFFAOYSA-N -1 0 312.337 -0.219 20 0 DBADRM Cc1cc(CC(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)on1 ZINC001142213585 831207642 /nfs/dbraw/zinc/20/76/42/831207642.db2.gz HJYDHIOXWKCCNZ-RCOVLWMOSA-N -1 0 303.296 -0.956 20 0 DBADRM C[C@H]1[C@H](NC(=O)/C=C/c2ccccn2)C(=O)N1S(=O)(=O)[O-] ZINC001142299082 831208475 /nfs/dbraw/zinc/20/84/75/831208475.db2.gz BWFONCOWTKKIGB-QWHXQGDASA-N -1 0 311.319 -0.387 20 0 DBADRM O=C(c1ccc2n[nH]c(=S)n2c1)N1CC2(C1)CNC(=O)O2 ZINC001142625322 831216523 /nfs/dbraw/zinc/21/65/23/831216523.db2.gz IAFKCMOWXDROPP-UHFFFAOYSA-N -1 0 305.319 -0.048 20 0 DBADRM CN(Cc1nnc2ccccn21)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001142657693 831217619 /nfs/dbraw/zinc/21/76/19/831217619.db2.gz KVSRAXYEMIPSOD-UHFFFAOYSA-N -1 0 303.282 -0.609 20 0 DBADRM Cn1cc(C(C)(C)NC(=O)CCn2cc[nH]c(=O)c2=O)nn1 ZINC001142972041 831224894 /nfs/dbraw/zinc/22/48/94/831224894.db2.gz KAISSNOSDVNUBP-UHFFFAOYSA-N -1 0 306.326 -0.893 20 0 DBADRM O=C([O-])C(=O)N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001143419388 831236737 /nfs/dbraw/zinc/23/67/37/831236737.db2.gz KRNVKYTVDFPFSM-SNVBAGLBSA-N -1 0 306.322 -0.452 20 0 DBADRM O=C([O-])C(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001143413316 831236965 /nfs/dbraw/zinc/23/69/65/831236965.db2.gz OVHAUCATOXAVKA-AWEZNQCLSA-N -1 0 304.306 -0.093 20 0 DBADRM CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C(=O)[O-])CC[C@@H]21 ZINC001143419427 831236996 /nfs/dbraw/zinc/23/69/96/831236996.db2.gz LYYBXXVCZJEBHC-AGIUHOORSA-N -1 0 320.349 -0.194 20 0 DBADRM COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)C(=O)[O-] ZINC001143418509 831237002 /nfs/dbraw/zinc/23/70/02/831237002.db2.gz BXGDYSLWXRNNFN-HZMBPMFUSA-N -1 0 314.338 -0.674 20 0 DBADRM O=C([O-])C(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001143413321 831237119 /nfs/dbraw/zinc/23/71/19/831237119.db2.gz OVHAUCATOXAVKA-CQSZACIVSA-N -1 0 304.306 -0.093 20 0 DBADRM COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)C(=O)[O-] ZINC001143418512 831237333 /nfs/dbraw/zinc/23/73/33/831237333.db2.gz BXGDYSLWXRNNFN-IINYFYTJSA-N -1 0 314.338 -0.674 20 0 DBADRM CCOC(=O)C1(NC(=O)C(=O)[O-])CN(C(=O)OC(C)(C)C)C1 ZINC001143429155 831237379 /nfs/dbraw/zinc/23/73/79/831237379.db2.gz IKQBZFFAHFCEIO-UHFFFAOYSA-N -1 0 316.310 -0.260 20 0 DBADRM CCOC(=O)c1nc(NC(=O)CCCS(N)(=O)=O)c[nH]1 ZINC001144582388 831255495 /nfs/dbraw/zinc/25/54/95/831255495.db2.gz GHJWHCKXCGFMGL-UHFFFAOYSA-N -1 0 304.328 -0.406 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](O)c1ccc(O)cc1 ZINC001144607872 831258035 /nfs/dbraw/zinc/25/80/35/831258035.db2.gz MCNXHYVGTBLNOL-CMPLNLGQSA-N -1 0 311.290 -0.052 20 0 DBADRM CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)N[C@@H]1CO[N-]C1=O ZINC001146211492 831268430 /nfs/dbraw/zinc/26/84/30/831268430.db2.gz JBHOAPFQQASALE-KYXWUPHJSA-N -1 0 311.338 -0.070 20 0 DBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)C1CC=CC1 ZINC001146691241 831293011 /nfs/dbraw/zinc/29/30/11/831293011.db2.gz BLXMVZAYUYUQHP-UHFFFAOYSA-N -1 0 315.311 -0.685 20 0 DBADRM CNS(=O)(=O)c1ccc(O)c(NC(=O)c2ncnn2C)c1 ZINC001146998744 831321863 /nfs/dbraw/zinc/32/18/63/831321863.db2.gz QJEJWWADNLTHLP-UHFFFAOYSA-N -1 0 311.323 -0.319 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c(=O)[nH]1 ZINC001147135279 831342108 /nfs/dbraw/zinc/34/21/08/831342108.db2.gz SPWRCBVKBCFCBS-XPUUQOCRSA-N -1 0 315.307 -0.772 20 0 DBADRM Cc1ncsc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001147392802 831368151 /nfs/dbraw/zinc/36/81/51/831368151.db2.gz YODRVVWHIUIITF-WDSKDSINSA-N -1 0 305.337 -0.417 20 0 DBADRM Cn1cc(CNCCNC(=O)c2ccc3oc(=O)nc-3[n-]2)nn1 ZINC001147705128 831401721 /nfs/dbraw/zinc/40/17/21/831401721.db2.gz DXTIOEXUKUZTBG-UHFFFAOYSA-N -1 0 317.309 -0.424 20 0 DBADRM O=C(NCC[NH2+]Cc1n[nH]c(=O)[n-]1)C1CC2(C1)CCOCC2 ZINC001147733536 831402714 /nfs/dbraw/zinc/40/27/14/831402714.db2.gz PCGRZJYRRYVTNN-UHFFFAOYSA-N -1 0 309.370 -0.077 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)NCCC[C@@H]1CCOC1=O ZINC001177052266 833452390 /nfs/dbraw/zinc/45/23/90/833452390.db2.gz PIMKJOAEOZVWGE-SSDOTTSWSA-N -1 0 311.294 -0.031 20 0 DBADRM NC(=O)c1csc(C(=O)NCCC[NH2+]Cc2n[nH]c(=O)[n-]2)c1 ZINC001177059933 833452430 /nfs/dbraw/zinc/45/24/30/833452430.db2.gz QZORFWVIMMTLHX-UHFFFAOYSA-N -1 0 324.366 -0.420 20 0 DBADRM Cn1ccc(C(=O)Nc2ncnc3n[nH]nc32)c1CC(=O)[O-] ZINC001177361487 833464632 /nfs/dbraw/zinc/46/46/32/833464632.db2.gz XFDZMTQYPFLBJX-UHFFFAOYSA-N -1 0 301.266 -0.034 20 0 DBADRM Cn1ccc(C(=O)N2C[C@H]3CN(C)C(=O)[C@H]3C2)c1CC(=O)[O-] ZINC001177364114 833464695 /nfs/dbraw/zinc/46/46/95/833464695.db2.gz FZSOFNMISIGEQM-KOLCDFICSA-N -1 0 305.334 -0.188 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)c1ccn(C)c1CC(=O)[O-] ZINC001177369217 833464981 /nfs/dbraw/zinc/46/49/81/833464981.db2.gz LNOUPTRMHVGIGQ-UHFFFAOYSA-N -1 0 317.367 -0.727 20 0 DBADRM Cn1ccc(C(=O)NCCN2CC3(COC3)C2)c1CC(=O)[O-] ZINC001177368969 833464989 /nfs/dbraw/zinc/46/49/89/833464989.db2.gz FFWFONVJGGJWSU-UHFFFAOYSA-N -1 0 307.350 -0.286 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cccc(C(N)=O)c1 ZINC001148545103 831461214 /nfs/dbraw/zinc/46/12/14/831461214.db2.gz CRLONSLQCPALNV-JTQLQIEISA-N -1 0 308.290 -0.078 20 0 DBADRM O=C(NCS(=O)(=O)[O-])[C@@H]1CC(=O)N(c2nccs2)C1 ZINC001177335181 833463474 /nfs/dbraw/zinc/46/34/74/833463474.db2.gz KORCBHQPWBJVKU-ZCFIWIBFSA-N -1 0 305.337 -0.543 20 0 DBADRM COC(=O)[C@H]1CN(C)CCN1C(=O)c1ccn(C)c1CC(=O)[O-] ZINC001177365642 833465252 /nfs/dbraw/zinc/46/52/52/833465252.db2.gz VSDFOCZYANANSB-GFCCVEGCSA-N -1 0 323.349 -0.419 20 0 DBADRM Cn1ccc(C(=O)N[C@@H](CO)Cc2c[nH]cn2)c1CC(=O)[O-] ZINC001177369390 833465276 /nfs/dbraw/zinc/46/52/76/833465276.db2.gz OQSKEKCYMMBRRK-SNVBAGLBSA-N -1 0 306.322 -0.291 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1ccc(N2C(=O)C=CC2=O)cc1 ZINC001148898329 831477579 /nfs/dbraw/zinc/47/75/79/831477579.db2.gz QBFNTQZPJUOJJM-UHFFFAOYSA-N -1 0 310.287 -0.309 20 0 DBADRM NC(=O)CCCC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001148914919 831477587 /nfs/dbraw/zinc/47/75/87/831477587.db2.gz FVELQVOVJRNMOU-UHFFFAOYSA-N -1 0 322.369 -0.800 20 0 DBADRM CN1CCN(C(=O)c2cc(S(=O)(=O)[O-])ccc2O)CC1=O ZINC001148914685 831477634 /nfs/dbraw/zinc/47/76/34/831477634.db2.gz BLCOBBXSTAZDGF-UHFFFAOYSA-N -1 0 314.319 -0.447 20 0 DBADRM O=C(c1cc(S(=O)(=O)[O-])ccc1O)N1CCn2nncc2C1 ZINC001148926989 831479089 /nfs/dbraw/zinc/47/90/89/831479089.db2.gz YJMNMUCBYSMJBK-UHFFFAOYSA-N -1 0 324.318 -0.114 20 0 DBADRM O=C(NC[C@H]1CNC(=O)O1)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148934011 831479144 /nfs/dbraw/zinc/47/91/44/831479144.db2.gz QGHLOUBIXUAPIT-LURJTMIESA-N -1 0 316.291 -0.523 20 0 DBADRM CN(C[C@H](O)CO)C(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148916881 831479318 /nfs/dbraw/zinc/47/93/18/831479318.db2.gz GKNYPSMGTCOJBU-ZETCQYMHSA-N -1 0 305.308 -0.936 20 0 DBADRM O=C(N[C@H]1COC(=O)C1)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148927761 831479370 /nfs/dbraw/zinc/47/93/70/831479370.db2.gz RYFUGAHJQBWNPN-ZCFIWIBFSA-N -1 0 301.276 -0.316 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNCc1ncc(C2CC2)o1 ZINC001149141586 831500869 /nfs/dbraw/zinc/50/08/69/831500869.db2.gz QXERMHQZEVPSOH-UHFFFAOYSA-N -1 0 322.325 -0.539 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2ccc3c[nH]nc3c2)C(=O)N1S(=O)(=O)[O-] ZINC001149358857 831524653 /nfs/dbraw/zinc/52/46/53/831524653.db2.gz MMVOQYSHAULPOR-WKEGUHRASA-N -1 0 324.318 -0.305 20 0 DBADRM Cc1cc2nnc(C(=O)N[C@@H]3SC(=O)[N-]C3=O)c(C)n2n1 ZINC001149622863 831554838 /nfs/dbraw/zinc/55/48/38/831554838.db2.gz ACICAHFIVZJFEB-SNVBAGLBSA-N -1 0 306.307 -0.220 20 0 DBADRM Cc1ccn2ncc(C(=O)N3CCOC[C@H]3c3nnn[n-]3)c2n1 ZINC001150804547 831647300 /nfs/dbraw/zinc/64/73/00/831647300.db2.gz ZMRFFAZSRHFWNY-JTQLQIEISA-N -1 0 314.309 -0.235 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2ccc3cc[nH]c3n2)C(=O)N1S(=O)(=O)[O-] ZINC001151603185 831695348 /nfs/dbraw/zinc/69/53/48/831695348.db2.gz PBUOYGBJKNUYRZ-RCOVLWMOSA-N -1 0 324.318 -0.305 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1cccc(Cn2cncn2)c1 ZINC001151978872 831718404 /nfs/dbraw/zinc/71/84/04/831718404.db2.gz XGAXAXSQLCGZPL-UHFFFAOYSA-N -1 0 300.278 -0.067 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@H]1COCCO1 ZINC001152066824 831722889 /nfs/dbraw/zinc/72/28/89/831722889.db2.gz VJHZOKMZNUOLOH-NXEZZACHSA-N -1 0 313.358 -0.748 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cccn2cnnc12 ZINC001152394941 831746864 /nfs/dbraw/zinc/74/68/64/831746864.db2.gz SHCWUHQSCQIUPA-VIFPVBQESA-N -1 0 306.278 -0.135 20 0 DBADRM COC(CNC(=O)c1n[nH]c(=O)[n-]c1=O)(OC)c1ccccn1 ZINC001152495579 831755587 /nfs/dbraw/zinc/75/55/87/831755587.db2.gz PHDHZEXEGOAUMA-UHFFFAOYSA-N -1 0 321.293 -0.447 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)CCc1nnc[nH]1 ZINC001152627406 831767835 /nfs/dbraw/zinc/76/78/35/831767835.db2.gz DDDPHIMPMYTCRG-SECBINFHSA-N -1 0 322.373 -0.412 20 0 DBADRM Cn1nnc2c(C(=O)[N-]c3noc4cnccc43)ncn2c1=O ZINC001152746777 831772976 /nfs/dbraw/zinc/77/29/76/831772976.db2.gz LLTVYVQDOTWGQL-UHFFFAOYSA-N -1 0 312.249 -0.389 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@@H](C)n1cncn1 ZINC001152899870 831781899 /nfs/dbraw/zinc/78/18/99/831781899.db2.gz RDEXOOMSYKJWOG-NXEZZACHSA-N -1 0 322.373 -0.310 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)Cc1ccnn1C ZINC001153041704 831787231 /nfs/dbraw/zinc/78/72/31/831787231.db2.gz WBRNWMDWQTYCNV-SNVBAGLBSA-N -1 0 321.385 -0.187 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CC=C[C@H]1CO ZINC001153291204 831800984 /nfs/dbraw/zinc/80/09/84/831800984.db2.gz AFOJEQMMODWFCK-NSHDSACASA-N -1 0 302.290 -0.361 20 0 DBADRM Nc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1c[n-]c2cccnc2c1=O ZINC001153850459 831840172 /nfs/dbraw/zinc/84/01/72/831840172.db2.gz CHEBQBPPAHMXJI-UHFFFAOYSA-N -1 0 314.261 -0.041 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)c1cnc2cccnc2c1O ZINC001153859907 831841934 /nfs/dbraw/zinc/84/19/34/831841934.db2.gz AURKSCPHTMUGID-NSHDSACASA-N -1 0 304.287 -0.038 20 0 DBADRM COC(=O)c1cccc2n[nH]c(C(=O)NCS(=O)(=O)[O-])c21 ZINC001154609086 831891000 /nfs/dbraw/zinc/89/10/00/831891000.db2.gz PEDRZJKGFTVYTL-UHFFFAOYSA-N -1 0 313.291 -0.075 20 0 DBADRM Nc1c2c(=O)nccc-2[n-]n1C(=O)c1n[nH]c(=O)c2ncccc12 ZINC001154624995 831891847 /nfs/dbraw/zinc/89/18/47/831891847.db2.gz ORTAGMUOULUKTL-UHFFFAOYSA-N -1 0 323.272 -0.009 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NCCn2ccnn2)nc1 ZINC001154622457 831891878 /nfs/dbraw/zinc/89/18/78/831891878.db2.gz MQIIONHKZGIHPN-UHFFFAOYSA-N -1 0 310.339 -0.390 20 0 DBADRM CS(=O)(=O)CCCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001154817092 831900904 /nfs/dbraw/zinc/90/09/04/831900904.db2.gz JTZPRANNESQADI-UHFFFAOYSA-N -1 0 306.344 -0.980 20 0 DBADRM COC[C@H](NC(=O)c1cc(C)nc2c1cnn2C)c1nnn[n-]1 ZINC001155068964 831914754 /nfs/dbraw/zinc/91/47/54/831914754.db2.gz NQRLISPUEVUPDF-JTQLQIEISA-N -1 0 316.325 -0.093 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001155089388 831915917 /nfs/dbraw/zinc/91/59/17/831915917.db2.gz OEMUHXRGOUNVBG-OTYXRUKQSA-N -1 0 324.385 -0.494 20 0 DBADRM O=C(c1ccnc2n[nH]nc21)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001155134062 831918686 /nfs/dbraw/zinc/91/86/86/831918686.db2.gz AIMFULIUSSBTFV-MRVPVSSYSA-N -1 0 313.325 -0.039 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2c[nH]c(=O)nc2N)nc1 ZINC001155266253 831924952 /nfs/dbraw/zinc/92/49/52/831924952.db2.gz UINBBHJWZPZZTD-UHFFFAOYSA-N -1 0 324.322 -0.272 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1nnc2ccccn21 ZINC001155388690 831930882 /nfs/dbraw/zinc/93/08/82/831930882.db2.gz OTAJVILOFPWIJZ-QMMMGPOBSA-N -1 0 306.278 -0.135 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1nnc2cc(Br)ccn21 ZINC001155929240 831959619 /nfs/dbraw/zinc/95/96/19/831959619.db2.gz YAQOARKXIPQTOV-UHFFFAOYSA-N -1 0 323.114 -0.311 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1ncccn1 ZINC001155949876 831961063 /nfs/dbraw/zinc/96/10/63/831961063.db2.gz BEYPCSYHSPXPEH-SECBINFHSA-N -1 0 305.342 -0.059 20 0 DBADRM COc1cccn2c(C(=O)N[C@H]3SC(=O)[N-]C3=O)nnc12 ZINC001156013264 831963507 /nfs/dbraw/zinc/96/35/07/831963507.db2.gz LBSCJUNQPVTEJM-JTQLQIEISA-N -1 0 307.291 -0.223 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)C(=O)NCC1CC1 ZINC001156051739 831966449 /nfs/dbraw/zinc/96/64/49/831966449.db2.gz WTFRQEUVUFPBBD-SECBINFHSA-N -1 0 324.385 -0.637 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cccc2nncn21 ZINC001156070612 831968200 /nfs/dbraw/zinc/96/82/00/831968200.db2.gz SRSABYGLPBMIRD-QMMMGPOBSA-N -1 0 306.278 -0.135 20 0 DBADRM CCOC(=O)c1nc2ccn(C)c2c(N[C@@H]2CO[N-]C2=O)n1 ZINC001156695226 831994924 /nfs/dbraw/zinc/99/49/24/831994924.db2.gz QTRZBBJGHXBBDJ-MRVPVSSYSA-N -1 0 305.294 -0.591 20 0 DBADRM CCOc1ccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nn1 ZINC001157067922 832019108 /nfs/dbraw/zinc/01/91/08/832019108.db2.gz ZANXCWNQHHHZGC-RCOVLWMOSA-N -1 0 302.312 -0.311 20 0 DBADRM COC(=O)[C@@H]1CN(c2nccnc2CC(=O)[O-])CCN1C(C)=O ZINC001158023780 832084346 /nfs/dbraw/zinc/08/43/46/832084346.db2.gz KABCUBLVFLDQJS-NSHDSACASA-N -1 0 322.321 -0.686 20 0 DBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NC[C@@H](O)CO ZINC001158190366 832098430 /nfs/dbraw/zinc/09/84/30/832098430.db2.gz VJAMMJXWFGJGEE-MRVPVSSYSA-N -1 0 309.347 -0.845 20 0 DBADRM CC[C@@]1(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCNC1=O ZINC001269034347 832115274 /nfs/dbraw/zinc/11/52/74/832115274.db2.gz VSQBRGMEUIAKTR-LKFCYVNXSA-N -1 0 322.369 -0.883 20 0 DBADRM CNC(=O)[C@H](C)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cn1 ZINC001158990286 832149728 /nfs/dbraw/zinc/14/97/28/832149728.db2.gz ARBCFJSQGGQJIY-ZETCQYMHSA-N -1 0 300.340 -0.547 20 0 DBADRM CN(CC(=O)N(C)CC(F)(F)F)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653502 833803902 /nfs/dbraw/zinc/80/39/02/833803902.db2.gz GOGXWZNNEBCFQJ-UHFFFAOYSA-N -1 0 306.181 -0.444 20 0 DBADRM CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1CCOCC1 ZINC001185657199 833804390 /nfs/dbraw/zinc/80/43/90/833804390.db2.gz PFSQPWZGWNFWQZ-UHFFFAOYSA-N -1 0 322.302 -0.437 20 0 DBADRM CCN(CC(C)(C)O)C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657304 833804673 /nfs/dbraw/zinc/80/46/73/833804673.db2.gz SOAMBOYXCQSVCT-UHFFFAOYSA-N -1 0 310.291 -0.845 20 0 DBADRM CNC(=O)[C@@H]1CC12CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001269277920 832407000 /nfs/dbraw/zinc/40/70/00/832407000.db2.gz ZACASPLQPYQFMM-QMMMGPOBSA-N -1 0 310.383 -0.664 20 0 DBADRM CC(=O)[C@@H](C)N1CC[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269576505 832451028 /nfs/dbraw/zinc/45/10/28/832451028.db2.gz NMQOWVZPXQWXME-YMTOWFKASA-N -1 0 320.353 -0.829 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1noc2c1CN(C(=O)CCF)CC2 ZINC001269582925 832452037 /nfs/dbraw/zinc/45/20/37/832452037.db2.gz PRFGOCLEUVYVJJ-UHFFFAOYSA-N -1 0 323.288 -0.883 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@@]2(CCN(CC(F)F)C2=O)C1 ZINC001269578111 832452047 /nfs/dbraw/zinc/45/20/47/832452047.db2.gz SJXHXRYUNUTNCR-LBPRGKRZSA-N -1 0 314.296 -0.542 20 0 DBADRM CC(=O)[C@H](C)N1CC[C@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001269576771 832452174 /nfs/dbraw/zinc/45/21/74/832452174.db2.gz VVDCXOAQBAFITP-LKFCYVNXSA-N -1 0 320.353 -0.687 20 0 DBADRM COCCOCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nnn[n-]1 ZINC001270182270 832509242 /nfs/dbraw/zinc/50/92/42/832509242.db2.gz ARZQBIGBPVNJRQ-PHIMTYICSA-N -1 0 310.358 -0.962 20 0 DBADRM CN1CC[C@]2(CCCN2C(=O)C[N-]C(=O)C(F)(F)F)C1=O ZINC001270669594 832563878 /nfs/dbraw/zinc/56/38/78/832563878.db2.gz JCIHBHZWZKVYCP-LLVKDONJSA-N -1 0 307.272 -0.112 20 0 DBADRM O=C(Cc1nnn[n-]1)NC12CC(C(=O)NCC(F)F)(C1)C2 ZINC001270789001 832578310 /nfs/dbraw/zinc/57/83/10/832578310.db2.gz LTDDSTXRALRXRP-UHFFFAOYSA-N -1 0 300.269 -0.838 20 0 DBADRM Cn1ccnc1NC(=O)[C@@]12C[C@@H]1CCN2C(=O)Cc1nnn[n-]1 ZINC001270784166 832578334 /nfs/dbraw/zinc/57/83/34/832578334.db2.gz DHJCBAJZIMJPKZ-ISVAXAHUSA-N -1 0 316.325 -0.895 20 0 DBADRM O=C(Cc1nnn[n-]1)N1Cc2[nH]nc(C(=O)N3CC=CC3)c2C1 ZINC001270789922 832578842 /nfs/dbraw/zinc/57/88/42/832578842.db2.gz XNFJXYDCHIVRNB-UHFFFAOYSA-N -1 0 314.309 -0.980 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@H]2C[C@]21C(=O)N1CCCC12CC2 ZINC001270789128 832578915 /nfs/dbraw/zinc/57/89/15/832578915.db2.gz MNNGDFUCMXZQTM-ZUZCIYMTSA-N -1 0 316.365 -0.112 20 0 DBADRM C[C@H]1c2nc(C(=O)N(C)C)cn2CCN1C(=O)Cc1nnn[n-]1 ZINC001270789163 832578964 /nfs/dbraw/zinc/57/89/64/832578964.db2.gz NVFCHUUOLKTDMQ-QMMMGPOBSA-N -1 0 318.341 -0.756 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@H]2C[C@]21C(=O)N1CCCCO1 ZINC001270789516 832579061 /nfs/dbraw/zinc/57/90/61/832579061.db2.gz RWJUZWRHYDNSNH-TVQRCGJNSA-N -1 0 306.326 -0.713 20 0 DBADRM NC(=O)[C@@H]1CCC2(C1)CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001270939127 832598526 /nfs/dbraw/zinc/59/85/26/832598526.db2.gz OKTPZOZLBFRDLT-SECBINFHSA-N -1 0 324.410 -0.144 20 0 DBADRM C=C(F)C(=O)N1CCc2cc(C(=O)N=c3nn[n-]n3C)[nH]c2C1 ZINC001270952480 832600089 /nfs/dbraw/zinc/60/00/89/832600089.db2.gz PVRVJVNAMRBYND-UHFFFAOYSA-N -1 0 319.300 -0.420 20 0 DBADRM CC/C=C(/C)C(=O)NC[C@]1(O)CCN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001271118295 832622016 /nfs/dbraw/zinc/62/20/16/832622016.db2.gz AWBMURXAXWJMIL-NVWZYQMFSA-N -1 0 323.397 -0.482 20 0 DBADRM CC/C=C(\C)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001271122135 832623726 /nfs/dbraw/zinc/62/37/26/832623726.db2.gz XCGVQTGSSOUYLK-LZTOIUFZSA-N -1 0 309.370 -0.080 20 0 DBADRM CC/C=C(\C)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001271122131 832623798 /nfs/dbraw/zinc/62/37/98/832623798.db2.gz XCGVQTGSSOUYLK-DEYRLNKFSA-N -1 0 309.370 -0.080 20 0 DBADRM CC(C)=C(C)CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001271335257 832658405 /nfs/dbraw/zinc/65/84/05/832658405.db2.gz IAKWDORTZRJVSX-UHFFFAOYSA-N -1 0 309.370 -0.080 20 0 DBADRM Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(Cc3ccco3)C[C@H]12 ZINC001277390687 833953977 /nfs/dbraw/zinc/95/39/77/833953977.db2.gz TUKWIEICIYKQRO-VHSXEESVSA-N -1 0 317.309 -0.950 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1nccs1 ZINC001187910513 833958516 /nfs/dbraw/zinc/95/85/16/833958516.db2.gz DDWMCKRCASGAOB-LURJTMIESA-N -1 0 308.337 -0.172 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1ncnc(OC)c1OC ZINC001188355389 833978504 /nfs/dbraw/zinc/97/85/04/833978504.db2.gz NEADWERYBXTKIR-UHFFFAOYSA-N -1 0 305.312 -0.201 20 0 DBADRM CCOC(=O)c1ncc([N-]S(=O)(=O)CCC(=O)OC)cn1 ZINC001188360263 833978771 /nfs/dbraw/zinc/97/87/71/833978771.db2.gz LLDNDMWQUZYIKF-UHFFFAOYSA-N -1 0 317.323 -0.042 20 0 DBADRM NC(=O)c1[nH]nc2c1CN(C(=O)C[N-]C(=O)C(F)(F)F)CC2 ZINC001272264961 832764240 /nfs/dbraw/zinc/76/42/40/832764240.db2.gz MDZHIWNYWMMHLX-UHFFFAOYSA-N -1 0 319.243 -0.928 20 0 DBADRM CC[C@H](C)N1CC2(CN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O ZINC001272283087 832767357 /nfs/dbraw/zinc/76/73/57/832767357.db2.gz ORYJNTXJJHDWFF-VIFPVBQESA-N -1 0 308.338 -0.033 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CC2(C1)CN(CC(F)F)C(=O)CO2 ZINC001272285700 832767751 /nfs/dbraw/zinc/76/77/51/832767751.db2.gz KUVSDUKCBCIDDY-UHFFFAOYSA-N -1 0 316.264 -0.566 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CC[C@]2(CCN(C3COC3)C2=O)C1 ZINC001272287254 832767973 /nfs/dbraw/zinc/76/79/73/832767973.db2.gz VOXHHMAAYSTBTH-AWEZNQCLSA-N -1 0 306.322 -0.421 20 0 DBADRM CC(C)CN1C(=O)COCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001272286620 832768143 /nfs/dbraw/zinc/76/81/43/832768143.db2.gz QYHCBPPYWIWOKX-UHFFFAOYSA-N -1 0 308.338 -0.175 20 0 DBADRM CN1C[C@]2(CC1=O)COCCN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001272356736 832776223 /nfs/dbraw/zinc/77/62/23/832776223.db2.gz YWMSSSWFBPHWGC-AWEZNQCLSA-N -1 0 308.338 -0.553 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC[C@@]3(CC(=O)N(C)C3=O)C2)cc1=O ZINC001272356087 832776237 /nfs/dbraw/zinc/77/62/37/832776237.db2.gz QWKXZPCGWBPFED-CQSZACIVSA-N -1 0 306.322 -0.263 20 0 DBADRM CCOC(OCC)[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001160177245 832880037 /nfs/dbraw/zinc/88/00/37/832880037.db2.gz UOFCFPAIGDTXKD-SECBINFHSA-N -1 0 323.353 -0.025 20 0 DBADRM CCN(CCNCc1nc(=O)n(C)[nH]1)C(=O)c1cc[nH]c1C ZINC001273317437 832911106 /nfs/dbraw/zinc/91/11/06/832911106.db2.gz FQWRXIRXEXRQEU-UHFFFAOYSA-N -1 0 306.370 -0.003 20 0 DBADRM CCOC(=O)[C@@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)C(C)C ZINC001160664260 832931997 /nfs/dbraw/zinc/93/19/97/832931997.db2.gz BSOLEYSNQOWDMP-SSDOTTSWSA-N -1 0 318.355 -0.018 20 0 DBADRM CN(Cc1nc2ccccc2o1)C(=O)[C@@H]([NH3+])Cc1nnn[n-]1 ZINC001160721860 832937713 /nfs/dbraw/zinc/93/77/13/832937713.db2.gz HIEXEOVPZCJNSC-QMMMGPOBSA-N -1 0 301.310 -0.131 20 0 DBADRM [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001160770842 832941780 /nfs/dbraw/zinc/94/17/80/832941780.db2.gz XBHMWGIANCPEID-XVKPBYJWSA-N -1 0 302.285 -0.904 20 0 DBADRM NS(=O)(=O)c1cnc(NCC(=O)CCC(=O)[O-])c(F)c1 ZINC001160875903 832956063 /nfs/dbraw/zinc/95/60/63/832956063.db2.gz DDNCUUVPQDIZEU-UHFFFAOYSA-N -1 0 305.287 -0.286 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)C1CCN(c2ncccn2)CC1 ZINC001177130160 833456473 /nfs/dbraw/zinc/45/64/73/833456473.db2.gz QRVDXKLTHWMDQC-UHFFFAOYSA-N -1 0 303.326 -0.167 20 0 DBADRM O=C(CCc1nc(-c2ccccn2)no1)N[C@@H]1CO[N-]C1=O ZINC001177193297 833460251 /nfs/dbraw/zinc/46/02/51/833460251.db2.gz OSJDYKNKUQPISO-SECBINFHSA-N -1 0 303.278 -0.390 20 0 DBADRM Cn1ccc(C(=O)N2CC[C@@H](O)[C@](C)(CO)C2)c1CC(=O)[O-] ZINC001177364355 833464608 /nfs/dbraw/zinc/46/46/08/833464608.db2.gz NUJAEDXYBAHZQL-DOMZBBRYSA-N -1 0 310.350 -0.142 20 0 DBADRM Cc1cc(N2CCC(C(=O)N[C@@H]3CO[N-]C3=O)CC2)ncn1 ZINC001177561654 833474040 /nfs/dbraw/zinc/47/40/40/833474040.db2.gz MDNHBADTUMPDMR-LLVKDONJSA-N -1 0 305.338 -0.452 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1NC(=O)Cn1nn[n-]c1=S ZINC001177735977 833480493 /nfs/dbraw/zinc/48/04/93/833480493.db2.gz SZGCYQGWGFLMKS-UHFFFAOYSA-N -1 0 311.327 -0.191 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1cc2n(n1)CC(F)(F)CO2 ZINC001177736194 833480556 /nfs/dbraw/zinc/48/05/56/833480556.db2.gz DRKATURJUBTRHL-UHFFFAOYSA-N -1 0 317.281 -0.175 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CCC(Oc2cnccn2)CC1 ZINC001177738096 833480688 /nfs/dbraw/zinc/48/06/88/833480688.db2.gz ASMQGNIGECBKJA-UHFFFAOYSA-N -1 0 321.366 -0.178 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NCc1cc(OC2COC2)ccn1 ZINC001177743426 833480921 /nfs/dbraw/zinc/48/09/21/833480921.db2.gz KLYCKDDNQAFDED-UHFFFAOYSA-N -1 0 322.350 -0.549 20 0 DBADRM CCOC(=O)c1nc[nH]c1CNC(=O)Cn1nn[n-]c1=S ZINC001177742742 833481088 /nfs/dbraw/zinc/48/10/88/833481088.db2.gz FCJZHWDOWXLRJA-UHFFFAOYSA-N -1 0 311.327 -0.822 20 0 DBADRM CCOC(=O)C1=C(NC(=O)Cn2nn[n-]c2=S)[C@H](C)OC1 ZINC001177742365 833481132 /nfs/dbraw/zinc/48/11/32/833481132.db2.gz DLCRTYZEYIBHNW-LURJTMIESA-N -1 0 313.339 -0.686 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N[C@@H](CO)Cc1ccc(O)cc1 ZINC001177744277 833481531 /nfs/dbraw/zinc/48/15/31/833481531.db2.gz UKKMJOUEPPHNSZ-SECBINFHSA-N -1 0 309.351 -0.613 20 0 DBADRM COc1ncnc(OC)c1CNC(=O)Cn1nn[n-]c1=S ZINC001177744040 833481640 /nfs/dbraw/zinc/48/16/40/833481640.db2.gz QPRDMDSKCNAXHL-UHFFFAOYSA-N -1 0 311.327 -0.915 20 0 DBADRM Nc1ccc([C@H](CCO)NC(=O)Cn2nn[n-]c2=S)cc1 ZINC001177744159 833481643 /nfs/dbraw/zinc/48/16/43/833481643.db2.gz VTDRJYORAABTGM-JTQLQIEISA-N -1 0 308.367 -0.216 20 0 DBADRM COc1ccc(CNC(=O)Cn2nn[n-]c2=S)c(OC)n1 ZINC001177744366 833481696 /nfs/dbraw/zinc/48/16/96/833481696.db2.gz YAADKUASHZPGMU-UHFFFAOYSA-N -1 0 310.339 -0.310 20 0 DBADRM O=C([O-])CN1CCCn2nc(C(=O)Nc3cc[nH]n3)cc2C1=O ZINC001178366133 833503180 /nfs/dbraw/zinc/50/31/80/833503180.db2.gz QNOVASJTZSAWCV-UHFFFAOYSA-N -1 0 318.293 -0.211 20 0 DBADRM CN1C[C@@H](C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)CC1=O ZINC001178524712 833511570 /nfs/dbraw/zinc/51/15/70/833511570.db2.gz ZIRMCEAHUXDCSM-ZETCQYMHSA-N -1 0 323.330 -0.465 20 0 DBADRM CN1C[C@H](C(=O)NC(=N)SCCS(=O)(=O)[O-])CC1=O ZINC001178526050 833511716 /nfs/dbraw/zinc/51/17/16/833511716.db2.gz IABHORJNTZYHEL-ZCFIWIBFSA-N -1 0 309.369 -0.863 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCS(=O)(=O)[O-])C1 ZINC001178586638 833516031 /nfs/dbraw/zinc/51/60/31/833516031.db2.gz PTLRDFYBQAAAOI-MRVPVSSYSA-N -1 0 324.355 -0.416 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 ZINC001179177142 833538212 /nfs/dbraw/zinc/53/82/12/833538212.db2.gz QOWWPLNJEBAKEK-NSHDSACASA-N -1 0 310.310 -0.086 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C(=O)N1S(=O)(=O)[O-] ZINC001179560006 833550660 /nfs/dbraw/zinc/55/06/60/833550660.db2.gz HDKWSADDWSSEEN-ABRLLLAPSA-N -1 0 304.324 -0.928 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)CN1C(=O)C(=O)c2ccccc21 ZINC001180053765 833567746 /nfs/dbraw/zinc/56/77/46/833567746.db2.gz JGBHOHZOODADSM-UHFFFAOYSA-N -1 0 318.285 -0.234 20 0 DBADRM NS(=O)(=O)c1ccc(CCC(=O)NCS(=O)(=O)[O-])cc1 ZINC001180380124 833583217 /nfs/dbraw/zinc/58/32/17/833583217.db2.gz DLFRTWMKNZQBHE-UHFFFAOYSA-N -1 0 322.364 -0.772 20 0 DBADRM N=C(NC(=O)CCNC(=O)C1CC1)SCCS(=O)(=O)[O-] ZINC001180854525 833606297 /nfs/dbraw/zinc/60/62/97/833606297.db2.gz KTVLZZSFIJDGGR-UHFFFAOYSA-N -1 0 323.396 -0.425 20 0 DBADRM CS(=O)(=O)Oc1ccc(CC(=O)N[C@@H]2CO[N-]C2=O)cc1 ZINC001180867179 833606997 /nfs/dbraw/zinc/60/69/97/833606997.db2.gz DTAFUUQPRARDHI-SNVBAGLBSA-N -1 0 314.319 -0.886 20 0 DBADRM CCCCOCC(=O)N1CC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 ZINC001181786814 833644044 /nfs/dbraw/zinc/64/40/44/833644044.db2.gz CRWWJIXQTFAWFI-LLVKDONJSA-N -1 0 311.386 -0.384 20 0 DBADRM CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CO[N-]C1=O ZINC001182138221 833659783 /nfs/dbraw/zinc/65/97/83/833659783.db2.gz MCBKBMIGCZKXTJ-NWDGAFQWSA-N -1 0 321.333 -0.110 20 0 DBADRM CC(=O)O[C@H]1CO[C@H](C(=O)n2[n-]c3ccnc(=O)c-3c2N)S1 ZINC001182207510 833665800 /nfs/dbraw/zinc/66/58/00/833665800.db2.gz HUTATZQFSKYBST-KRTXAFLBSA-N -1 0 324.318 -0.123 20 0 DBADRM COC(=O)CC(C)(C)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001182612865 833682514 /nfs/dbraw/zinc/68/25/14/833682514.db2.gz HDHBLVNDQKRLRV-XPUUQOCRSA-N -1 0 322.339 -0.906 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC001182681308 833686425 /nfs/dbraw/zinc/68/64/25/833686425.db2.gz MQZNTZQKAOWCHZ-NEPJUHHUSA-N -1 0 321.308 -0.024 20 0 DBADRM O=C(NCc1cccc(-c2nn[nH]n2)c1)C1CS(=O)(=O)C1 ZINC001182815394 833691900 /nfs/dbraw/zinc/69/19/00/833691900.db2.gz KHNJOHNOLCNGHY-UHFFFAOYSA-N -1 0 307.335 -0.473 20 0 DBADRM O=C(CNC(=O)c1ccc(O)cc1)N[C@@H]1SC(=O)[N-]C1=O ZINC001182972649 833697878 /nfs/dbraw/zinc/69/78/78/833697878.db2.gz BIVXUAMHFIECSL-LLVKDONJSA-N -1 0 309.303 -0.453 20 0 DBADRM N=C(NC(=O)[C@H](CO)C(F)(F)F)SCCS(=O)(=O)[O-] ZINC001183286763 833712488 /nfs/dbraw/zinc/71/24/88/833712488.db2.gz BSBVMKPKPHAGLB-BYPYZUCNSA-N -1 0 324.302 -0.171 20 0 DBADRM C[C@@]1(O)C=C[C@H](O)C(C(=O)NCCCC[P@@](=O)([O-])O)=C1 ZINC001183544011 833721891 /nfs/dbraw/zinc/72/18/91/833721891.db2.gz KERSCOOHMRAYPW-CMPLNLGQSA-N -1 0 305.267 -0.331 20 0 DBADRM O=C(Nc1nc[n-]c(=O)c1Br)C1(CO)COC1 ZINC001184043486 833745675 /nfs/dbraw/zinc/74/56/75/833745675.db2.gz VMDVIQJDEGHFBJ-UHFFFAOYSA-N -1 0 304.100 -0.108 20 0 DBADRM Cc1ccc(S(=O)(=O)NC2(CO)COC2)cc1C(=O)[O-] ZINC001184712277 833767978 /nfs/dbraw/zinc/76/79/78/833767978.db2.gz IZNCGJVPWOPOMS-UHFFFAOYSA-N -1 0 301.320 -0.267 20 0 DBADRM O=C1[N-]C(=O)[C@H](NS(=O)(=O)c2cnc(Cl)nc2)S1 ZINC001185058114 833778726 /nfs/dbraw/zinc/77/87/26/833778726.db2.gz USPRELCTBTZMLF-RXMQYKEDSA-N -1 0 308.728 -0.283 20 0 DBADRM CSc1ncc([O-])c(C(=O)NCCN2CC3(COC3)C2)n1 ZINC001185188146 833782402 /nfs/dbraw/zinc/78/24/02/833782402.db2.gz TZKJYNYHWBZKNJ-UHFFFAOYSA-N -1 0 310.379 -0.034 20 0 DBADRM CN(Cc1ccccc1)[C@@H](CO)C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001185235799 833784204 /nfs/dbraw/zinc/78/42/04/833784204.db2.gz RHLCFULZMUWYMH-GXFFZTMASA-N -1 0 323.374 -0.095 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H]2COC(=O)C2)cc1C(=O)[O-] ZINC001185324257 833791980 /nfs/dbraw/zinc/79/19/80/833791980.db2.gz GAYZXMNLHMAPSZ-ZETCQYMHSA-N -1 0 315.303 -0.013 20 0 DBADRM O=S(=O)([O-])CNS(=O)(=O)c1ccc2nsnc2c1 ZINC001186277367 833842534 /nfs/dbraw/zinc/84/25/34/833842534.db2.gz CHTUCQJNIFZLNS-UHFFFAOYSA-N -1 0 309.350 -0.185 20 0 DBADRM C[C@H]1[C@H](NC(=O)NCC2CCOCC2)C(=O)N1S(=O)(=O)[O-] ZINC001186954778 833889416 /nfs/dbraw/zinc/88/94/16/833889416.db2.gz SUBDTSDYMGTJTD-CBAPKCEASA-N -1 0 321.355 -0.886 20 0 DBADRM COCCCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001187038663 833897081 /nfs/dbraw/zinc/89/70/81/833897081.db2.gz TXMDSTBEMPWVOH-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM CC(C)OCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001187182579 833907684 /nfs/dbraw/zinc/90/76/84/833907684.db2.gz SGZFDZSGTSOIOH-WDEREUQCSA-N -1 0 309.370 -0.032 20 0 DBADRM O=S(=O)([N-]c1ncnc2c1ncn2CCO)c1c[nH]cn1 ZINC001187731159 833945191 /nfs/dbraw/zinc/94/51/91/833945191.db2.gz DYZDQZXKKSKJBO-UHFFFAOYSA-N -1 0 309.311 -0.658 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1cc(OC)nc(OC)n1 ZINC001188352902 833977174 /nfs/dbraw/zinc/97/71/74/833977174.db2.gz NJSAUDDXEOUOFT-UHFFFAOYSA-N -1 0 305.312 -0.201 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1c(C)n(C)nc1C(N)=O ZINC001188352625 833977305 /nfs/dbraw/zinc/97/73/05/833977305.db2.gz ISPURSDSZCWNIE-UHFFFAOYSA-N -1 0 304.328 -0.868 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1cnc(C(=O)OC)nc1 ZINC001188352943 833977596 /nfs/dbraw/zinc/97/75/96/833977596.db2.gz PVNXBKLCGPXMNZ-UHFFFAOYSA-N -1 0 303.296 -0.432 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-][C@@](C)(C(=O)OC)C(F)(F)F ZINC001188419882 833984295 /nfs/dbraw/zinc/98/42/95/833984295.db2.gz GGYBMSJUZQBUPY-QMMMGPOBSA-N -1 0 321.273 -0.037 20 0 DBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)c2nc[nH]n2)cc1 ZINC001188696446 834004046 /nfs/dbraw/zinc/00/40/46/834004046.db2.gz ZEDYFCPDRAQBLW-UHFFFAOYSA-N -1 0 323.334 -0.325 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)COCC2CC2)C1 ZINC001189059347 834041222 /nfs/dbraw/zinc/04/12/22/834041222.db2.gz OKBCRCBBBSKYGQ-LLVKDONJSA-N -1 0 309.370 -0.030 20 0 DBADRM CO[C@H](C)CC(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001189302805 834063475 /nfs/dbraw/zinc/06/34/75/834063475.db2.gz ZPJTWQPERLRRGI-MNOVXSKESA-N -1 0 311.386 -0.434 20 0 DBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)c2cn[nH]n2)cc1 ZINC001189351800 834067312 /nfs/dbraw/zinc/06/73/12/834067312.db2.gz MJXGQBNVAQWZME-UHFFFAOYSA-N -1 0 323.334 -0.325 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cnc(N2CCOCC2)nc1 ZINC001189395242 834074694 /nfs/dbraw/zinc/07/46/94/834074694.db2.gz OLNYSSIWIAMUDI-SNVBAGLBSA-N -1 0 323.334 -0.648 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)CC(=O)N(C)C)C2)c1[O-] ZINC001189665181 834104328 /nfs/dbraw/zinc/10/43/28/834104328.db2.gz VNMCWGLMYJFWPG-JTQLQIEISA-N -1 0 309.370 -0.342 20 0 DBADRM O=C1CO[C@@H](C[N-]S(=O)(=O)c2ncc(F)cc2F)CN1 ZINC001190207455 834146800 /nfs/dbraw/zinc/14/68/00/834146800.db2.gz OSUBPOUQHLEINA-SSDOTTSWSA-N -1 0 307.278 -0.847 20 0 DBADRM O=C(NC1C(=O)N=CN=C1[O-])c1cc(CN2CCOCC2)on1 ZINC001190200548 834146838 /nfs/dbraw/zinc/14/68/38/834146838.db2.gz WXTWVHSQHFIHNR-UHFFFAOYSA-N -1 0 321.293 -0.040 20 0 DBADRM O=S(=O)([N-][C@H]1[C@H](O)CCC[C@@H]1O)c1ncc(F)cc1F ZINC001190216788 834147682 /nfs/dbraw/zinc/14/76/82/834147682.db2.gz ALYYZKIUKNHCOH-MYJAWHEDSA-N -1 0 308.306 -0.088 20 0 DBADRM CCOC(=O)CN(CC(=O)OCC)S(=O)(=O)c1ncc[n-]1 ZINC001190706849 834181464 /nfs/dbraw/zinc/18/14/64/834181464.db2.gz BYGXBLOPCVWZLK-UHFFFAOYSA-N -1 0 319.339 -0.473 20 0 DBADRM CCOC(=O)[C@@H]1CN(S(=O)(=O)c2ncc[n-]2)CCC1=O ZINC001190698617 834181756 /nfs/dbraw/zinc/18/17/56/834181756.db2.gz MRFKZTVWWHOQGD-MRVPVSSYSA-N -1 0 301.324 -0.448 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)N2S(=O)(=O)c1ncc[n-]1 ZINC001190707473 834181766 /nfs/dbraw/zinc/18/17/66/834181766.db2.gz JOVIPMWXKPZALK-OWUUHHOZSA-N -1 0 315.351 -0.249 20 0 DBADRM C[C@@H]1CN(C2CN(S(=O)(=O)c3ncc[n-]3)C2)C[C@@H](C)O1 ZINC001190718959 834184166 /nfs/dbraw/zinc/18/41/66/834184166.db2.gz VHVPHRXDWPYDJG-NXEZZACHSA-N -1 0 300.384 -0.108 20 0 DBADRM O=S(=O)(CCNS(=O)(=O)c1ncc[n-]1)N1CCCCC1 ZINC001190739878 834186676 /nfs/dbraw/zinc/18/66/76/834186676.db2.gz QRWFTTIKXDOYFD-UHFFFAOYSA-N -1 0 322.412 -0.496 20 0 DBADRM O=C(c1ccncc1)N1CC[C@@H](NS(=O)(=O)c2ncc[n-]2)C1 ZINC001190755453 834187323 /nfs/dbraw/zinc/18/73/23/834187323.db2.gz RWTHTQQVAKGHNU-LLVKDONJSA-N -1 0 321.362 -0.002 20 0 DBADRM CC1(C)O[C@@H]2[C@@H](O)C[C@@H](NS(=O)(=O)c3ncc[n-]3)[C@@H]2O1 ZINC001190746401 834187516 /nfs/dbraw/zinc/18/75/16/834187516.db2.gz UORWSNXTJMXZDI-RYPBNFRJSA-N -1 0 303.340 -0.659 20 0 DBADRM CCOC(=O)C1=C(NS(=O)(=O)c2ncc[n-]2)[C@H](C)OC1 ZINC001190744083 834187770 /nfs/dbraw/zinc/18/77/70/834187770.db2.gz BEEJCAXAYOGBCF-ZETCQYMHSA-N -1 0 301.324 -0.076 20 0 DBADRM O=S(=O)(NCCC1CCS(=O)(=O)CC1)c1ncc[n-]1 ZINC001190746446 834187934 /nfs/dbraw/zinc/18/79/34/834187934.db2.gz VGWJBIYNOQISBW-UHFFFAOYSA-N -1 0 307.397 -0.097 20 0 DBADRM COCC(=O)N[C@H]1CC[C@H](NS(=O)(=O)c2ncc[n-]2)CC1 ZINC001190756982 834188902 /nfs/dbraw/zinc/18/89/02/834188902.db2.gz ZARKFDUNBUMCPB-MGCOHNPYSA-N -1 0 316.383 -0.238 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cncc(N2CCOCC2)n1 ZINC001190774484 834191094 /nfs/dbraw/zinc/19/10/94/834191094.db2.gz ZWDDAGUHQKHGIE-UHFFFAOYSA-N -1 0 305.298 -0.933 20 0 DBADRM NC(=O)CCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001191046654 834216743 /nfs/dbraw/zinc/21/67/43/834216743.db2.gz WDTFGYOZKWNBIL-UHFFFAOYSA-N -1 0 321.742 -0.702 20 0 DBADRM Cc1[nH]nc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1C ZINC001191127087 834223744 /nfs/dbraw/zinc/22/37/44/834223744.db2.gz SVZQORZECLDAKM-XPUUQOCRSA-N -1 0 302.312 -0.842 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1C ZINC001191159784 834226796 /nfs/dbraw/zinc/22/67/96/834226796.db2.gz IZMQSOKLQKXCDD-CBAPKCEASA-N -1 0 301.324 -0.237 20 0 DBADRM Cc1c(C(=O)NCc2nnn[n-]2)c(=O)n(-c2ccccc2)n1C ZINC001191679421 834278105 /nfs/dbraw/zinc/27/81/05/834278105.db2.gz GDIYAQGJFKKUTP-UHFFFAOYSA-N -1 0 313.321 -0.072 20 0 DBADRM CSC[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191815186 834294748 /nfs/dbraw/zinc/29/47/48/834294748.db2.gz PXRYKSGQVMTGQU-IWSPIJDZSA-N -1 0 315.399 -0.829 20 0 DBADRM CC(C)(C)/C=C\C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191832776 834296303 /nfs/dbraw/zinc/29/63/03/834296303.db2.gz JLIVTZGHGVGREX-BYIQDMNASA-N -1 0 309.370 -0.226 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cc(N2CCOCC2)ccn1 ZINC001192258841 834345736 /nfs/dbraw/zinc/34/57/36/834345736.db2.gz GFLSJROTYBUXBF-GFCCVEGCSA-N -1 0 322.346 -0.043 20 0 DBADRM COC[C@H](OC)C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001192266569 834347737 /nfs/dbraw/zinc/34/77/37/834347737.db2.gz GDFJQOUKVCCBII-UWVGGRQHSA-N -1 0 313.358 -0.796 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CNCCC2=O)ccc1F ZINC001238626787 834357838 /nfs/dbraw/zinc/35/78/38/834357838.db2.gz IIRJZTIKHRLRIT-JTQLQIEISA-N -1 0 316.310 -0.267 20 0 DBADRM O=C([O-])Cn1cc(-c2cc(CN3CCNC(=O)C3)ccn2)cn1 ZINC001242183437 834402857 /nfs/dbraw/zinc/40/28/57/834402857.db2.gz MMJLZKJJGCJOAP-UHFFFAOYSA-N -1 0 315.333 -0.039 20 0 DBADRM Cn1ccnc1C(NS(=O)(=O)c1ncc[n-]1)c1nccn1C ZINC001192697094 834411584 /nfs/dbraw/zinc/41/15/84/834411584.db2.gz CYNKSTYUIANEKN-UHFFFAOYSA-N -1 0 321.366 -0.055 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N[C@H]2COC2=O)cc1 ZINC001192744098 834415712 /nfs/dbraw/zinc/41/57/12/834415712.db2.gz ZBUVPPDZWXQSFY-VIFPVBQESA-N -1 0 301.276 -0.646 20 0 DBADRM CCc1ccc(OC)c(S(=O)(=O)N[C@@H]2CO[N-]C2=O)c1 ZINC001192826125 834427521 /nfs/dbraw/zinc/42/75/21/834427521.db2.gz DUWPXMSXWLVVMU-SECBINFHSA-N -1 0 300.336 -0.034 20 0 DBADRM O=C1C[C@@H](CNS(=O)(=O)c2cnccc2Cl)C(=O)N1 ZINC001192920955 834441442 /nfs/dbraw/zinc/44/14/42/834441442.db2.gz IOEWUVGOMPBDSQ-LURJTMIESA-N -1 0 303.727 -0.324 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1nnn(-c2ccccc2Cl)n1 ZINC001193053935 834457981 /nfs/dbraw/zinc/45/79/81/834457981.db2.gz RCLIDDBOTQJHSV-UHFFFAOYSA-N -1 0 317.714 -0.109 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001193064095 834459077 /nfs/dbraw/zinc/45/90/77/834459077.db2.gz CTJHDVNMDYDYNI-ZCFIWIBFSA-N -1 0 310.353 -0.443 20 0 DBADRM CCOC(=O)C([N-]S(=O)(=O)C(C)(C)C(=O)OCC)=C(C)O ZINC001193074545 834459430 /nfs/dbraw/zinc/45/94/30/834459430.db2.gz HMTNARBSIVAGER-VIFPVBQESA-N -1 0 323.367 -0.232 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]C(C(=O)OC)=C(C)O ZINC001193078587 834460903 /nfs/dbraw/zinc/46/09/03/834460903.db2.gz RBNOZCLGYRSQIP-MRVPVSSYSA-N -1 0 309.340 -0.622 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1ccc(Br)c(=O)[nH]1 ZINC001193153750 834470182 /nfs/dbraw/zinc/47/01/82/834470182.db2.gz VSLPBZCNMMHISH-ZCFIWIBFSA-N -1 0 302.084 -0.291 20 0 DBADRM Cc1nn(C)c([N-]S(=O)(=O)C[C@@H]2CCCO2)c1C(N)=O ZINC001193199026 834476315 /nfs/dbraw/zinc/47/63/15/834476315.db2.gz JOWMBYGRQGDRAQ-QMMMGPOBSA-N -1 0 302.356 -0.252 20 0 DBADRM CC(=O)Nc1nc(C)c(S(=O)(=O)N[C@@H]2CO[N-]C2=O)s1 ZINC001250828260 834479913 /nfs/dbraw/zinc/47/99/13/834479913.db2.gz DDHRKGGZLQHOIR-ZCFIWIBFSA-N -1 0 320.352 -0.882 20 0 DBADRM CC(C)(C)OC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC001193287565 834481805 /nfs/dbraw/zinc/48/18/05/834481805.db2.gz CSTQSZBHVKLABM-ZJUUUORDSA-N -1 0 309.384 -0.213 20 0 DBADRM CC(=O)C(=O)Oc1ccccc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001193409452 834493682 /nfs/dbraw/zinc/49/36/82/834493682.db2.gz MPGWMEDMHYTLNS-UHFFFAOYSA-N -1 0 304.262 -0.065 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001193464817 834498754 /nfs/dbraw/zinc/49/87/54/834498754.db2.gz BDOSDHKNSOMONF-MNOVXSKESA-N -1 0 316.321 -0.365 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC001193468266 834499366 /nfs/dbraw/zinc/49/93/66/834499366.db2.gz FSHSTPIMMFHDGK-UHFFFAOYSA-N -1 0 302.356 -0.341 20 0 DBADRM CCn1c(N)c(NC(=O)c2cc(=O)[nH][n-]2)c(=O)n(CC)c1=O ZINC001193473352 834500613 /nfs/dbraw/zinc/50/06/13/834500613.db2.gz MZLNYSTWXUHHTD-UHFFFAOYSA-N -1 0 308.298 -0.687 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)[nH][n-]2)C1 ZINC001193473288 834501175 /nfs/dbraw/zinc/50/11/75/834501175.db2.gz LSYVPBTVFBDMTF-RKDXNWHRSA-N -1 0 312.326 -0.175 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O ZINC001193468605 834501274 /nfs/dbraw/zinc/50/12/74/834501274.db2.gz GASKDWQXEKEMNG-YYODJPADSA-N -1 0 305.294 -0.540 20 0 DBADRM Nc1c2c(=O)nccc-2[n-]n1C(=O)c1ccc(-n2cncn2)nc1 ZINC001193700812 834524107 /nfs/dbraw/zinc/52/41/07/834524107.db2.gz YWDWJZPSBOBUGV-UHFFFAOYSA-N -1 0 322.288 -0.077 20 0 DBADRM COC(=O)[C@H](Cc1cncn1C)[N-]S(=O)(=O)C(F)(F)F ZINC001252389521 834527638 /nfs/dbraw/zinc/52/76/38/834527638.db2.gz CPOOALIRXYKUSY-ZETCQYMHSA-N -1 0 315.273 -0.057 20 0 DBADRM O=S(=O)([N-]CCCN1CCS(=O)(=O)CC1)C(F)(F)F ZINC001252389964 834527939 /nfs/dbraw/zinc/52/79/39/834527939.db2.gz GLFNSNLZKIGDID-UHFFFAOYSA-N -1 0 324.346 -0.454 20 0 DBADRM COC(=O)CC(CC(=O)OC)[N-]S(=O)(=O)C(F)(F)F ZINC001252385751 834528358 /nfs/dbraw/zinc/52/83/58/834528358.db2.gz AUCITIXEIASTNZ-UHFFFAOYSA-N -1 0 307.246 -0.080 20 0 DBADRM O=S(=O)([N-]CCN1CCS(=O)(=O)CC1)C(F)(F)F ZINC001252391059 834528127 /nfs/dbraw/zinc/52/81/27/834528127.db2.gz RHPVCFRCBATOQH-UHFFFAOYSA-N -1 0 310.319 -0.844 20 0 DBADRM COC(=O)[C@H](O)CNc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC001252406586 834529632 /nfs/dbraw/zinc/52/96/32/834529632.db2.gz OFRFSSXUEXEYRS-LLVKDONJSA-N -1 0 316.335 -0.543 20 0 DBADRM CCCCOC[C@H](O)CN[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001252528161 834545092 /nfs/dbraw/zinc/54/50/92/834545092.db2.gz OIIMJFRZPKUAMG-AEJSXWLSSA-N -1 0 310.372 -0.844 20 0 DBADRM Cc1cc(O)cc(O)c1C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001193929652 834546609 /nfs/dbraw/zinc/54/66/09/834546609.db2.gz JWEWOEFLXVLVQG-UHFFFAOYSA-N -1 0 305.334 -0.338 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1c[nH]c(=S)n1C ZINC001194258027 834583383 /nfs/dbraw/zinc/58/33/83/834583383.db2.gz YJNCZBSJNOOYSY-LURJTMIESA-N -1 0 301.324 -0.155 20 0 DBADRM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1nc(=O)o[n-]1 ZINC001254027610 834584735 /nfs/dbraw/zinc/58/47/35/834584735.db2.gz LBWVGQORZGBXQA-DTORHVGOSA-N -1 0 322.321 -0.456 20 0 DBADRM COC(=O)c1cn(CCc2cn(CCOCC(=O)[O-])nn2)nn1 ZINC001254090277 834586873 /nfs/dbraw/zinc/58/68/73/834586873.db2.gz HTYQPDVCIKQKCV-UHFFFAOYSA-N -1 0 324.297 -1.000 20 0 DBADRM CCOC(=O)CN1CCC(N[C@@H]2SC(=O)[N-]C2=O)CC1 ZINC001254393769 834597801 /nfs/dbraw/zinc/59/78/01/834597801.db2.gz SPVJIEZLJHJYEV-LLVKDONJSA-N -1 0 301.368 -0.087 20 0 DBADRM Cc1c(C(=O)NCS(=O)(=O)[O-])cccc1S(C)(=O)=O ZINC001194440696 834598569 /nfs/dbraw/zinc/59/85/69/834598569.db2.gz GQSZHOATFOYCDT-UHFFFAOYSA-N -1 0 307.349 -0.026 20 0 DBADRM COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CO[N-]C2=O)c1 ZINC001254452276 834599196 /nfs/dbraw/zinc/59/91/96/834599196.db2.gz BNEOQFTZCSGMQZ-MRVPVSSYSA-N -1 0 302.308 -0.588 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccc(-n2cccn2)c1 ZINC001255531031 834612170 /nfs/dbraw/zinc/61/21/70/834612170.db2.gz KKWJGRLVUIVSBB-UHFFFAOYSA-N -1 0 303.278 -0.656 20 0 DBADRM COCCn1cnc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC)c1 ZINC001194672543 834617504 /nfs/dbraw/zinc/61/75/04/834617504.db2.gz RGDRMGYRVJJNCX-VIFPVBQESA-N -1 0 313.310 -0.334 20 0 DBADRM CCOC(=O)C([N-]S(=O)(=O)C1CCC(=O)CC1)=C(C)O ZINC001194820633 834635717 /nfs/dbraw/zinc/63/57/17/834635717.db2.gz CMMRXJZRVCMQPA-NSHDSACASA-N -1 0 305.352 -0.062 20 0 DBADRM CCOC(=O)C([N-]S(=O)(=O)C1CCC(=O)CC1)=C(C)O ZINC001194820630 834636117 /nfs/dbraw/zinc/63/61/17/834636117.db2.gz CMMRXJZRVCMQPA-LLVKDONJSA-N -1 0 305.352 -0.062 20 0 DBADRM O=C(CNC(=O)C1CC1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001195024992 834649503 /nfs/dbraw/zinc/64/95/03/834649503.db2.gz CUPOCLHAGYRXMK-UHFFFAOYSA-N -1 0 322.369 -0.929 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001257609253 834660638 /nfs/dbraw/zinc/66/06/38/834660638.db2.gz GBDVYABUAKRRDP-UHFFFAOYSA-N -1 0 315.370 -0.508 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(N)=O ZINC001195187720 834660913 /nfs/dbraw/zinc/66/09/13/834660913.db2.gz WSUNSTCLLBZRMI-BYPYZUCNSA-N -1 0 308.262 -0.185 20 0 DBADRM C[C@@H]1CN(CCc2nnc(-c3c[nH]c(=O)c(=O)[n-]3)o2)C[C@@H](C)O1 ZINC001258131031 834670336 /nfs/dbraw/zinc/67/03/36/834670336.db2.gz OZOPXZFBCLTJLO-RKDXNWHRSA-N -1 0 321.337 -0.235 20 0 DBADRM O=C(NC(CO)(CO)CO)c1c([O-])c(F)c(F)c(F)c1F ZINC001195311018 834673553 /nfs/dbraw/zinc/67/35/53/834673553.db2.gz MKZXCYQJTNBRSE-UHFFFAOYSA-N -1 0 313.203 -0.606 20 0 DBADRM O=C(CNC(=O)C(=O)[N-]OC1CCCCC1)N1CCOCC1 ZINC001258326942 834679508 /nfs/dbraw/zinc/67/95/08/834679508.db2.gz XPZVNRSGRNQDLS-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCC(=O)NC1=O ZINC001258452625 834683990 /nfs/dbraw/zinc/68/39/90/834683990.db2.gz IWEQFBTVFPTGAU-ZCFIWIBFSA-N -1 0 320.758 -0.535 20 0 DBADRM C=C/C(C)=C\CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001195433361 834686073 /nfs/dbraw/zinc/68/60/73/834686073.db2.gz GAQZRJFIMJJQSN-MTUFZTHRSA-N -1 0 307.354 -0.306 20 0 DBADRM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001195434341 834686308 /nfs/dbraw/zinc/68/63/08/834686308.db2.gz QNATVIQFTNKDFW-MRTMQBJTSA-N -1 0 301.322 -0.834 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)F)c1 ZINC001259001113 834691348 /nfs/dbraw/zinc/69/13/48/834691348.db2.gz AJRLDRRTTAVSKD-UHFFFAOYSA-N -1 0 300.262 -0.623 20 0 DBADRM CCOC(=O)c1nccnc1[N-]S(=O)(=O)CC(=O)OC ZINC001259018300 834692209 /nfs/dbraw/zinc/69/22/09/834692209.db2.gz DGQFYUJOAZAEPN-UHFFFAOYSA-N -1 0 303.296 -0.432 20 0 DBADRM CCCc1nn(C)c(C(N)=O)c1[N-]S(=O)(=O)CC(=O)OC ZINC001259018563 834692351 /nfs/dbraw/zinc/69/23/51/834692351.db2.gz BMYWBLBFUNNEEY-UHFFFAOYSA-N -1 0 318.355 -0.614 20 0 DBADRM CCOC(=O)c1nc([N-]S(=O)(=O)CC(=O)OC)cn1C ZINC001259018423 834692414 /nfs/dbraw/zinc/69/24/14/834692414.db2.gz KHHRZXONZHBKMH-UHFFFAOYSA-N -1 0 305.312 -0.489 20 0 DBADRM COC(=O)CS(=O)(=O)Nc1ccc(N2CCOCC2)nc1 ZINC001259018170 834692421 /nfs/dbraw/zinc/69/24/21/834692421.db2.gz XLPRHZQMFBBJLZ-UHFFFAOYSA-N -1 0 315.351 -0.167 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1nnc(C(F)(F)F)n1C ZINC001259017795 834692751 /nfs/dbraw/zinc/69/27/51/834692751.db2.gz CBPNKUVVTLWDND-UHFFFAOYSA-N -1 0 302.234 -0.251 20 0 DBADRM CCOC(=O)c1nnsc1[N-]S(=O)(=O)CC(=O)OC ZINC001259019201 834693539 /nfs/dbraw/zinc/69/35/39/834693539.db2.gz XQEDGKVALQRNBG-UHFFFAOYSA-N -1 0 309.325 -0.371 20 0 DBADRM CCOC(=O)c1cc([N-]S(=O)(=O)CC(=O)OC)n(C)n1 ZINC001259019023 834693563 /nfs/dbraw/zinc/69/35/63/834693563.db2.gz QIBMJIYWUVYADO-UHFFFAOYSA-N -1 0 305.312 -0.489 20 0 DBADRM CCOC(=O)C1=C([N-]S(=O)(=O)CC(=O)OC)[C@H](C)OC1 ZINC001259030330 834696583 /nfs/dbraw/zinc/69/65/83/834696583.db2.gz UVWQBSMARKDNJG-ZETCQYMHSA-N -1 0 307.324 -0.685 20 0 DBADRM COCCn1cccc([N-]S(=O)(=O)CC(=O)OC)c1=O ZINC001259032746 834698561 /nfs/dbraw/zinc/69/85/61/834698561.db2.gz YNALFCRDWMYRAQ-UHFFFAOYSA-N -1 0 304.324 -0.591 20 0 DBADRM CCOC(=O)c1nonc1[N-]S(=O)(=O)c1cnn(C)c1 ZINC001259820183 834707519 /nfs/dbraw/zinc/70/75/19/834707519.db2.gz DVTKYAMZACVYAO-UHFFFAOYSA-N -1 0 301.284 -0.219 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2ncnc3c2ncn3CCO)cn1 ZINC001259820587 834707532 /nfs/dbraw/zinc/70/75/32/834707532.db2.gz FDAGSLOKQUXQGO-UHFFFAOYSA-N -1 0 323.338 -0.647 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)OC)cn1 ZINC001259840324 834709874 /nfs/dbraw/zinc/70/98/74/834709874.db2.gz XOSACMFLUKPMEZ-VIFPVBQESA-N -1 0 319.339 -0.412 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]c2c(C(N)=O)c(C)nn2C)cn1 ZINC001259832050 834709966 /nfs/dbraw/zinc/70/99/66/834709966.db2.gz BRSJFGOCUWWAJB-UHFFFAOYSA-N -1 0 312.355 -0.155 20 0 DBADRM COC(=O)c1nsnc1[N-]S(=O)(=O)c1ccn(C)n1 ZINC001259938314 834715645 /nfs/dbraw/zinc/71/56/45/834715645.db2.gz KFLMZESDCIBRRX-UHFFFAOYSA-N -1 0 303.325 -0.141 20 0 DBADRM COCCS(=O)(=O)[N-]c1cncc(N2CCOCC2)n1 ZINC001259965916 834718275 /nfs/dbraw/zinc/71/82/75/834718275.db2.gz XXPPVBKFDHAHDU-UHFFFAOYSA-N -1 0 302.356 -0.299 20 0 DBADRM COCCS(=O)(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)OC ZINC001259973796 834720153 /nfs/dbraw/zinc/72/01/53/834720153.db2.gz OFTOLMKWIBHOLA-NWDGAFQWSA-N -1 0 317.363 -0.173 20 0 DBADRM COCCS(=O)(=O)N[C@H](Cc1cncn1C)C(=O)OC ZINC001259974885 834720395 /nfs/dbraw/zinc/72/03/95/834720395.db2.gz SHNSIIKFXWWBRX-SNVBAGLBSA-N -1 0 305.356 -0.930 20 0 DBADRM CC[C@H](CO)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260166976 834728932 /nfs/dbraw/zinc/72/89/32/834728932.db2.gz ODGWYEQCZJCTDV-ZCFIWIBFSA-N -1 0 305.747 -0.173 20 0 DBADRM O=S(=O)([N-][C@H]1CC[C@@H](O)C1)c1nc2nc(Cl)ccn2n1 ZINC001260176791 834729131 /nfs/dbraw/zinc/72/91/31/834729131.db2.gz WSNBCVDBTZMXAL-NKWVEPMBSA-N -1 0 317.758 -0.031 20 0 DBADRM O=S(=O)([N-]Cc1ncon1)c1nc2nc(Cl)ccn2n1 ZINC001260167131 834729165 /nfs/dbraw/zinc/72/91/65/834729165.db2.gz RRFNXHMSJQUNNI-UHFFFAOYSA-N -1 0 315.702 -0.361 20 0 DBADRM CCNC(=O)C[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260177827 834729881 /nfs/dbraw/zinc/72/98/81/834729881.db2.gz MXVVPMAEPJAJEN-UHFFFAOYSA-N -1 0 318.746 -0.808 20 0 DBADRM COC(C[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1)OC ZINC001260179691 834730058 /nfs/dbraw/zinc/73/00/58/834730058.db2.gz SZJWAMDIQGGORR-UHFFFAOYSA-N -1 0 321.746 -0.325 20 0 DBADRM O=S(=O)([N-]C[C@@H](O)CF)c1nc2nc(Cl)ccn2n1 ZINC001260181358 834730412 /nfs/dbraw/zinc/73/04/12/834730412.db2.gz FMQKGMBKLMWEFZ-YFKPBYRVSA-N -1 0 309.710 -0.614 20 0 DBADRM C[C@@]1(O)C[C@@H]([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)C1 ZINC001260178833 834730441 /nfs/dbraw/zinc/73/04/41/834730441.db2.gz RMPOTJLRNLKEAU-HDKIZWTHSA-N -1 0 317.758 -0.031 20 0 DBADRM CC(C)([N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1)C(N)=O ZINC001260179616 834730512 /nfs/dbraw/zinc/73/05/12/834730512.db2.gz PLROMCYTQWFCNU-UHFFFAOYSA-N -1 0 318.746 -0.680 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)NC[C@H]2CC(=O)NC2=O)c1 ZINC001260193890 834731118 /nfs/dbraw/zinc/73/11/18/834731118.db2.gz ZQRFAYBCNJKZDO-MRVPVSSYSA-N -1 0 312.303 -0.674 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CNC(=O)CO2)cc1 ZINC001260230175 834731331 /nfs/dbraw/zinc/73/13/31/834731331.db2.gz JIWBSSKUPZXWBY-SECBINFHSA-N -1 0 314.319 -0.822 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC001260223795 834731725 /nfs/dbraw/zinc/73/17/25/834731725.db2.gz ZQOGMXHVGSASGT-CMPLNLGQSA-N -1 0 315.347 -0.251 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)NC[C@@H]2CNC(=O)O2)c1 ZINC001260195032 834731808 /nfs/dbraw/zinc/73/18/08/834731808.db2.gz KQDFWJQTLORTJL-QMMMGPOBSA-N -1 0 300.292 -0.229 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)[C@@H](C)O ZINC001260231565 834731815 /nfs/dbraw/zinc/73/18/15/834731815.db2.gz QLVFJLVQUWIWBA-GMSGAONNSA-N -1 0 317.319 -0.415 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCn3nncc3C2)ccc1O ZINC001260397356 834732333 /nfs/dbraw/zinc/73/23/33/834732333.db2.gz POOVPVKEEVVPMO-UHFFFAOYSA-N -1 0 324.318 -0.114 20 0 DBADRM N#CN1CCN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1 ZINC001260398574 834732349 /nfs/dbraw/zinc/73/23/49/834732349.db2.gz NSRAWPKZQUNGOF-UHFFFAOYSA-N -1 0 311.319 -0.122 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCOC(=O)C2)ccc1O ZINC001260398176 834732543 /nfs/dbraw/zinc/73/25/43/834732543.db2.gz VGSMDDNDDMRVNC-UHFFFAOYSA-N -1 0 301.276 -0.362 20 0 DBADRM O=S(=O)([O-])CNS(=O)(=O)c1cccc2nsnc21 ZINC001260389994 834732732 /nfs/dbraw/zinc/73/27/32/834732732.db2.gz WTSNKCMWYBTNBR-UHFFFAOYSA-N -1 0 309.350 -0.185 20 0 DBADRM O=C1[N-]C(=O)[C@H](NS(=O)(=O)c2cccc3nonc32)S1 ZINC001260442916 834733183 /nfs/dbraw/zinc/73/31/83/834733183.db2.gz RJIFSDRVYKKSJH-MRVPVSSYSA-N -1 0 314.304 -0.190 20 0 DBADRM NC(=O)c1nccnc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260435777 834733315 /nfs/dbraw/zinc/73/33/15/834733315.db2.gz SRVUVUCBNIZLIG-UHFFFAOYSA-N -1 0 320.290 -0.088 20 0 DBADRM C=CC(=O)NCCNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260404442 834733641 /nfs/dbraw/zinc/73/36/41/834733641.db2.gz YWTJBFUWHALWBW-UHFFFAOYSA-N -1 0 314.319 -0.329 20 0 DBADRM O=C([O-])CCC(=O)CNS(=O)(=O)c1cccc2nonc21 ZINC001260445183 834734350 /nfs/dbraw/zinc/73/43/50/834734350.db2.gz ZZCHIUJJXOAPOS-UHFFFAOYSA-N -1 0 313.291 -0.065 20 0 DBADRM Cc1nc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)F)cn1C ZINC001260549286 834735910 /nfs/dbraw/zinc/73/59/10/834735910.db2.gz HGIKTEWHRYJAHJ-UHFFFAOYSA-N -1 0 314.289 -0.315 20 0 DBADRM COC(=O)c1ccnnc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260584269 834736797 /nfs/dbraw/zinc/73/67/97/834736797.db2.gz FCCKWXXNWQNODZ-UHFFFAOYSA-N -1 0 309.325 -0.993 20 0 DBADRM Cc1cc2ncc([N-]S(=O)(=O)CS(C)(=O)=O)cn2n1 ZINC001260584611 834737384 /nfs/dbraw/zinc/73/73/84/834737384.db2.gz OOPZMBFBKXMHJM-UHFFFAOYSA-N -1 0 304.353 -0.218 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1c(C)n(C)nc1C(N)=O ZINC001195938782 834737630 /nfs/dbraw/zinc/73/76/30/834737630.db2.gz BOVFYXRZTQBBCV-UHFFFAOYSA-N -1 0 304.328 -0.868 20 0 DBADRM Cc1nnc2cc([N-]S(=O)(=O)CS(C)(=O)=O)ccn12 ZINC001260584525 834737673 /nfs/dbraw/zinc/73/76/73/834737673.db2.gz KPRJZJSFNYMRIJ-UHFFFAOYSA-N -1 0 304.353 -0.218 20 0 DBADRM Cn1cnc2ncnc-2c1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260584394 834737936 /nfs/dbraw/zinc/73/79/36/834737936.db2.gz YYNCHZOPHDEXGI-UHFFFAOYSA-N -1 0 305.341 -0.941 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cnc(C(=O)OCC)nc1 ZINC001195942602 834738935 /nfs/dbraw/zinc/73/89/35/834738935.db2.gz YXYHGWDDXXQRRT-UHFFFAOYSA-N -1 0 317.323 -0.042 20 0 DBADRM Cn1nnc2cc([N-]S(=O)(=O)CS(C)(=O)=O)ccc21 ZINC001260590247 834739685 /nfs/dbraw/zinc/73/96/85/834739685.db2.gz DDBPKZWVRFZRMR-UHFFFAOYSA-N -1 0 304.353 -0.288 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC001260591844 834741051 /nfs/dbraw/zinc/74/10/51/834741051.db2.gz OPIPOEBGIITCCD-UHFFFAOYSA-N -1 0 318.376 -0.284 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1cc(O)cc(C(N)=O)c1 ZINC001260593639 834741597 /nfs/dbraw/zinc/74/15/97/834741597.db2.gz WQMSLQKASHLCGZ-UHFFFAOYSA-N -1 0 308.337 -0.765 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1cccc2c1CCNC2=O ZINC001260593682 834741908 /nfs/dbraw/zinc/74/19/08/834741908.db2.gz YRJBLGABLVKBPG-UHFFFAOYSA-N -1 0 318.376 -0.284 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccccn1 ZINC001195984468 834743102 /nfs/dbraw/zinc/74/31/02/834743102.db2.gz SBPPDRKPVLONIC-LLVKDONJSA-N -1 0 316.335 -0.222 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-][C@H]1COCCC12OCCO2 ZINC001195991923 834745519 /nfs/dbraw/zinc/74/55/19/834745519.db2.gz PZEUKUGKRCVLRF-VIFPVBQESA-N -1 0 309.340 -0.999 20 0 DBADRM O=S(=O)([N-]c1nccnc1N1CCOCC1)c1cn[nH]c1 ZINC001260954144 834746953 /nfs/dbraw/zinc/74/69/53/834746953.db2.gz HSQXXPMKANTPPR-UHFFFAOYSA-N -1 0 310.339 -0.163 20 0 DBADRM O=S(=O)([N-]c1cnc(N2CCOCC2)nc1)c1cn[nH]c1 ZINC001260954489 834746999 /nfs/dbraw/zinc/74/69/99/834746999.db2.gz SNGZIRGSALXMTH-UHFFFAOYSA-N -1 0 310.339 -0.163 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-][C@](C)(C(=O)OC)C(F)(F)F ZINC001196004949 834747378 /nfs/dbraw/zinc/74/73/78/834747378.db2.gz SNMDNLGHDBYOFD-MRVPVSSYSA-N -1 0 321.273 -0.037 20 0 DBADRM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cn[nH]c1)c1cnccn1 ZINC001260965499 834748973 /nfs/dbraw/zinc/74/89/73/834748973.db2.gz QFIIBOHBJCKWKU-SNVBAGLBSA-N -1 0 311.323 -0.218 20 0 DBADRM CNC(=O)c1nccnc1[N-]S(=O)(=O)c1c(C)n[nH]c1C ZINC001261024520 834749330 /nfs/dbraw/zinc/74/93/30/834749330.db2.gz AWFUQHKSFVQTRF-UHFFFAOYSA-N -1 0 310.339 -0.023 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)n[nH]c1C ZINC001261032005 834750219 /nfs/dbraw/zinc/75/02/19/834750219.db2.gz UJFQRCRWPYGDPR-QMMMGPOBSA-N -1 0 319.339 -0.289 20 0 DBADRM CN(C)c1nccc(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)n1 ZINC001261142850 834757812 /nfs/dbraw/zinc/75/78/12/834757812.db2.gz MJZBHMMOAKKIAH-JTQLQIEISA-N -1 0 323.353 -0.757 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)[N-]OCC(C)C)C1 ZINC001261156606 834760905 /nfs/dbraw/zinc/76/09/05/834760905.db2.gz PQZMHARDIATXFL-JTQLQIEISA-N -1 0 300.359 -0.390 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)c2cc(=O)cc(C(N)=O)o2)[n-]1 ZINC001196190694 834764741 /nfs/dbraw/zinc/76/47/41/834764741.db2.gz GWDAQYQPOAHOIL-UHFFFAOYSA-N -1 0 320.261 -0.109 20 0 DBADRM NC(=O)c1cc(=O)cc(C(=O)NCCCC[P@@](=O)([O-])O)o1 ZINC001196210404 834767687 /nfs/dbraw/zinc/76/76/87/834767687.db2.gz WURDMVGPKUYXIL-UHFFFAOYSA-N -1 0 318.222 -0.574 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)[N-]OCC2CC2)cn1 ZINC001261242298 834772711 /nfs/dbraw/zinc/77/27/11/834772711.db2.gz OOTNGESJCUGKDC-UHFFFAOYSA-N -1 0 313.335 -0.119 20 0 DBADRM CC(C)CCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001196363827 834781263 /nfs/dbraw/zinc/78/12/63/834781263.db2.gz GHTUBHBITDQCHZ-GHMZBOCLSA-N -1 0 311.386 -0.002 20 0 DBADRM CS(=O)(=O)c1cccc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)n1 ZINC001196415566 834785242 /nfs/dbraw/zinc/78/52/42/834785242.db2.gz DHGVRZQVWYSOKK-SECBINFHSA-N -1 0 315.332 -0.476 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001261457661 834787728 /nfs/dbraw/zinc/78/77/28/834787728.db2.gz SQVNBSUBQVWWDO-VIFPVBQESA-N -1 0 313.397 -0.262 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1nc(Br)c[nH]c1=O ZINC001196505360 834788752 /nfs/dbraw/zinc/78/87/52/834788752.db2.gz NAZGRPRSZGGSPQ-UHFFFAOYSA-N -1 0 312.101 -0.893 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001261501934 834795615 /nfs/dbraw/zinc/79/56/15/834795615.db2.gz SIKPAVNRKGIVDR-UHFFFAOYSA-N -1 0 313.354 -0.306 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1ccncc1C ZINC001261536551 834802878 /nfs/dbraw/zinc/80/28/78/834802878.db2.gz TZHJYEUHJMNGFL-UHFFFAOYSA-N -1 0 308.338 -0.767 20 0 DBADRM COC(=O)CCCCS(=O)(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001196967043 834821341 /nfs/dbraw/zinc/82/13/41/834821341.db2.gz YCNNFWMKBFKUAB-MRVPVSSYSA-N -1 0 310.353 -0.442 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCN2CC=CC2)c1 ZINC001261707470 834835617 /nfs/dbraw/zinc/83/56/17/834835617.db2.gz MESYLNBDYRWLAL-UHFFFAOYSA-N -1 0 311.363 -0.359 20 0 DBADRM C[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(=O)NCC(N)=O ZINC001197140164 834837580 /nfs/dbraw/zinc/83/75/80/834837580.db2.gz OKMGEZQZOMYWDY-ZETCQYMHSA-N -1 0 324.362 -0.339 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC001261721340 834839408 /nfs/dbraw/zinc/83/94/08/834839408.db2.gz YVPRFWCRHCMIIR-CQSZACIVSA-N -1 0 313.354 -0.802 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC001261725460 834839811 /nfs/dbraw/zinc/83/98/11/834839811.db2.gz ZKSJMHFOGWLTJI-VHSXEESVSA-N -1 0 306.384 -0.228 20 0 DBADRM O=C(/C=C/COC1CCOCC1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC001261880722 834870769 /nfs/dbraw/zinc/87/07/69/834870769.db2.gz MLRJVNOHTADSSW-YYRQZUAOSA-N -1 0 319.379 -0.027 20 0 DBADRM COC(=O)C([N-]S(=O)(=O)Cc1cccnc1)C(=O)OC ZINC001197475030 834871592 /nfs/dbraw/zinc/87/15/92/834871592.db2.gz ZZIINYRWZZBTHX-UHFFFAOYSA-N -1 0 302.308 -0.784 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)Cc2cccnc2)CCOC1 ZINC001197494715 834875945 /nfs/dbraw/zinc/87/59/45/834875945.db2.gz IRVXMXACXGZTHD-LBPRGKRZSA-N -1 0 300.336 -0.167 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC(COC)(C2CC2)C1 ZINC001261979773 834889058 /nfs/dbraw/zinc/88/90/58/834889058.db2.gz QHIZSACKIIYPLF-UHFFFAOYSA-N -1 0 313.354 -0.945 20 0 DBADRM CON1CCC(N(C)C(=O)C(=O)NCCCCC(=O)[O-])CC1 ZINC001262055272 834898674 /nfs/dbraw/zinc/89/86/74/834898674.db2.gz GAUKQGQZHXLYLC-UHFFFAOYSA-N -1 0 315.370 -0.158 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(C)c(F)c1 ZINC001262246308 834924440 /nfs/dbraw/zinc/92/44/40/834924440.db2.gz WFHYLFNDBSODMC-UHFFFAOYSA-N -1 0 311.313 -0.066 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001262270797 834925828 /nfs/dbraw/zinc/92/58/28/834925828.db2.gz HZUKBGTZBKREKW-WDEREUQCSA-N -1 0 309.297 -0.408 20 0 DBADRM CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC(=O)[N-]OC)CC1 ZINC001262315977 834933255 /nfs/dbraw/zinc/93/32/55/834933255.db2.gz WBVZRXBLINAQBA-UHFFFAOYSA-N -1 0 314.386 -0.887 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC001262315551 834933362 /nfs/dbraw/zinc/93/33/62/834933362.db2.gz NSIDRIXCDFZVSI-RSQPEXBXSA-N -1 0 309.366 -0.325 20 0 DBADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001262316013 834933580 /nfs/dbraw/zinc/93/35/80/834933580.db2.gz WXHGNJUVLYQJDU-NXEZZACHSA-N -1 0 317.411 -0.087 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001262463901 834943013 /nfs/dbraw/zinc/94/30/13/834943013.db2.gz YLNNPIPHHCGCDV-GHMZBOCLSA-N -1 0 310.358 -0.396 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccc(N2CCCNC2=O)nc1 ZINC001198464376 834948246 /nfs/dbraw/zinc/94/82/46/834948246.db2.gz COVYUXMGSXGFGK-UHFFFAOYSA-N -1 0 302.298 -0.556 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CNC(=O)CO1 ZINC001198802297 834968824 /nfs/dbraw/zinc/96/88/24/834968824.db2.gz WMXBXUUBLXMQPV-QMMMGPOBSA-N -1 0 314.319 -0.822 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)NC[C@H]1CNC(=O)CO1 ZINC001198802296 834968996 /nfs/dbraw/zinc/96/89/96/834968996.db2.gz WMXBXUUBLXMQPV-MRVPVSSYSA-N -1 0 314.319 -0.822 20 0 DBADRM CC[C@H](NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[C@@H]1CCCO1 ZINC001263063571 834970822 /nfs/dbraw/zinc/97/08/22/834970822.db2.gz YOLUZAVZVJRQPM-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2cnn3c2NC[C@H](C)C3)C(=O)N1C ZINC001263866172 834992754 /nfs/dbraw/zinc/99/27/54/834992754.db2.gz FUIPHZFIKQXSRO-YUMQZZPRSA-N -1 0 306.326 -0.128 20 0 DBADRM COCCOc1ccnc(C(=O)NCC(=O)CCC(=O)[O-])n1 ZINC001199195030 834998086 /nfs/dbraw/zinc/99/80/86/834998086.db2.gz YNUOZEGGRINWDO-UHFFFAOYSA-N -1 0 311.294 -0.335 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)c1cncc(N2CCOCC2)c1 ZINC001199273218 835005594 /nfs/dbraw/zinc/00/55/94/835005594.db2.gz QZCBLMMXHUFHSB-LBPRGKRZSA-N -1 0 322.346 -0.043 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cnc(-c2cnccn2)nc1 ZINC001199294229 835008697 /nfs/dbraw/zinc/00/86/97/835008697.db2.gz SDITWJSTBFWGAK-LLVKDONJSA-N -1 0 316.302 -0.028 20 0 DBADRM O=C(NCCCc1c[nH][nH]c1=O)c1cn(-c2ncccn2)cn1 ZINC001199556139 835033848 /nfs/dbraw/zinc/03/38/48/835033848.db2.gz QAOHNCFCVOPWAJ-SNVBAGLBSA-N -1 0 313.321 -0.096 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ncccn1 ZINC001265007535 835072611 /nfs/dbraw/zinc/07/26/11/835072611.db2.gz UYNAGCMKYXGFTM-UHFFFAOYSA-N -1 0 319.325 -0.675 20 0 DBADRM O=[P@@]([O-])(O)CCNC(=S)NCCCN1CCOCC1 ZINC001199955873 835074235 /nfs/dbraw/zinc/07/42/35/835074235.db2.gz PAAHXXJAICHPKS-UHFFFAOYSA-N -1 0 311.344 -0.650 20 0 DBADRM CCCN(C(=O)CC(N)=O)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001265337614 835131905 /nfs/dbraw/zinc/13/19/05/835131905.db2.gz PFIVHZINEJOHLI-UHFFFAOYSA-N -1 0 324.385 -0.411 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2n[nH]c3c2CCC3)C(=O)N1S(=O)(=O)[O-] ZINC001201242945 835177571 /nfs/dbraw/zinc/17/75/71/835177571.db2.gz OFMUOPFCBGQPFK-XNCJUZBTSA-N -1 0 314.323 -0.970 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]c1ncccc1C(N)=O ZINC001201905013 835217509 /nfs/dbraw/zinc/21/75/09/835217509.db2.gz CVFFKIJLAISNCF-UHFFFAOYSA-N -1 0 301.324 -0.125 20 0 DBADRM CN(CCNC(=O)c1cnc2n[nH]cc2c1)Cc1n[nH]c(=O)[n-]1 ZINC001266286408 835265376 /nfs/dbraw/zinc/26/53/76/835265376.db2.gz LFFSWVNOQAWJQK-UHFFFAOYSA-N -1 0 316.325 -0.357 20 0 DBADRM COCCOCO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001205285672 835339536 /nfs/dbraw/zinc/33/95/36/835339536.db2.gz QSCAGLDAPNSIJO-NSHDSACASA-N -1 0 313.372 -0.788 20 0 DBADRM O=C(CCc1c[nH]cn1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001268548999 835726716 /nfs/dbraw/zinc/72/67/16/835726716.db2.gz USFGPZNNTOWPAR-UPHRSURJSA-N -1 0 305.342 -0.372 20 0 DBADRM O=C(Cn1ccccc1=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001268623580 835756928 /nfs/dbraw/zinc/75/69/28/835756928.db2.gz PCAOJFQXVJPLLR-IHWYPQMZSA-N -1 0 318.337 -0.866 20 0 DBADRM CC(C)=CC(=O)N1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001268875502 835832357 /nfs/dbraw/zinc/83/23/57/835832357.db2.gz GZCYMSMACINBDL-UHFFFAOYSA-N -1 0 316.325 -0.584 20 0 DBADRM N#Cc1ccccc1OCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000321977673 970832563 /nfs/dbraw/zinc/83/25/63/970832563.db2.gz IVMWGDULEUDXMI-LLVKDONJSA-N -1 0 317.301 -0.261 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NCc2ccc(C(=O)[O-])nc2)C1=O ZINC000322243457 970862452 /nfs/dbraw/zinc/86/24/52/970862452.db2.gz OQUONENARMMSSH-UHFFFAOYSA-N -1 0 320.305 -0.274 20 0 DBADRM Cn1nccc1[C@H](NC(=O)c1cc2n(n1)CCCO2)C(=O)[O-] ZINC001601034474 970916281 /nfs/dbraw/zinc/91/62/81/970916281.db2.gz VWLHJTBBYSQUFK-NSHDSACASA-N -1 0 305.294 -0.045 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(C(=O)NCCO)cc2)O1 ZINC000322948632 970949798 /nfs/dbraw/zinc/94/97/98/970949798.db2.gz KAAFBMRVFRDHPR-NEPJUHHUSA-N -1 0 322.317 -0.021 20 0 DBADRM O=C([O-])c1cccc(CS(=O)(=O)N[C@@H]2COC[C@@H]2O)c1 ZINC000323073113 970964636 /nfs/dbraw/zinc/96/46/36/970964636.db2.gz NZQRZLNYNPHTFL-MNOVXSKESA-N -1 0 301.320 -0.436 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)N[C@@H]2COC[C@@H]2O)cc1 ZINC000323180987 970973259 /nfs/dbraw/zinc/97/32/59/970973259.db2.gz POWUBMFPKYMGGS-MNOVXSKESA-N -1 0 323.305 -0.618 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCO[C@H](CN2CCOCC2)C1 ZINC001602175369 971163562 /nfs/dbraw/zinc/16/35/62/971163562.db2.gz VDFKFZQTNAJGLN-FRRDWIJNSA-N -1 0 312.366 -0.343 20 0 DBADRM C=CC(=O)N(C)CC(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001573301218 947132912 /nfs/dbraw/zinc/13/29/12/947132912.db2.gz UJHXCJITGCRGEI-UHFFFAOYSA-N -1 0 302.294 -0.079 20 0 DBADRM C[C@H](C(=O)N(C)[C@@H](C)C(C)(C)O)n1cnc(-c2nnn[n-]2)n1 ZINC001573586984 947296468 /nfs/dbraw/zinc/29/64/68/947296468.db2.gz VHCINOOFUIZBBX-SFYZADRCSA-N -1 0 308.346 -0.363 20 0 DBADRM C[C@@H](C(=O)N(C)[C@@H]1CCCC[C@H]1O)n1cnc(-c2nnn[n-]2)n1 ZINC001573603614 947492864 /nfs/dbraw/zinc/49/28/64/947492864.db2.gz ILHRSSUBTZPXLU-IVZWLZJFSA-N -1 0 320.357 -0.219 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001573637655 947819327 /nfs/dbraw/zinc/81/93/27/947819327.db2.gz MIIIQSQHBFBKBT-KXUCPTDWSA-N -1 0 320.357 -0.361 20 0 DBADRM C[C@@H](C(=O)N1CCO[C@@H]2CCC[C@@H]21)n1cnc(-c2nnn[n-]2)n1 ZINC001573641828 947858750 /nfs/dbraw/zinc/85/87/50/947858750.db2.gz NRAFEHSSEFMHCM-LPEHRKFASA-N -1 0 318.341 -0.201 20 0 DBADRM C[C@@H](C(=O)N1CCn2nccc2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573648276 947906459 /nfs/dbraw/zinc/90/64/59/947906459.db2.gz YDENOQHWRZFJMA-QMMMGPOBSA-N -1 0 314.313 -0.742 20 0 DBADRM CC(=O)N(C)CC(C)(C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001573409874 948076350 /nfs/dbraw/zinc/07/63/50/948076350.db2.gz XSWSJIKLAAMTHC-UHFFFAOYSA-N -1 0 304.358 -0.005 20 0 DBADRM CC[C@@](COC)(NCC(=O)NC(=O)NCC(C)C)C(=O)[O-] ZINC000328396978 971468985 /nfs/dbraw/zinc/46/89/85/971468985.db2.gz AAFSMFLHGPALQS-ZDUSSCGKSA-N -1 0 303.359 -0.062 20 0 DBADRM CC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001573442789 948299898 /nfs/dbraw/zinc/29/98/98/948299898.db2.gz ZIAADAVMRBLURL-JTQLQIEISA-N -1 0 302.342 -0.109 20 0 DBADRM C[C@H](C(=O)NCc1cccc(=O)[nH]1)n1cnc(-c2nnn[n-]2)n1 ZINC001573729721 948572021 /nfs/dbraw/zinc/57/20/21/948572021.db2.gz JRYJUZMQCRDHHF-SSDOTTSWSA-N -1 0 315.297 -0.564 20 0 DBADRM COCc1nnc2n1CCN(c1ccnc(-c3nnn[n-]3)n1)C2 ZINC001570919549 948589601 /nfs/dbraw/zinc/58/96/01/948589601.db2.gz WPJNRDRNNKIPGU-UHFFFAOYSA-N -1 0 314.313 -0.585 20 0 DBADRM C[C@H](C(=O)N[C@@H](CO)C(F)(F)F)n1cnc(-c2nnn[n-]2)n1 ZINC001573732072 948600460 /nfs/dbraw/zinc/60/04/60/948600460.db2.gz KWQUCUBMFJBGPT-UHNVWZDZSA-N -1 0 320.235 -0.941 20 0 DBADRM CCOc1n[nH]c(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001570921608 948623020 /nfs/dbraw/zinc/62/30/20/948623020.db2.gz HXCGOQWOCMMJTE-RXMQYKEDSA-N -1 0 319.289 -0.825 20 0 DBADRM CC(C)[C@@H]1C[C@H]1NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001570921591 948623177 /nfs/dbraw/zinc/62/31/77/948623177.db2.gz GTUAEUNUIUWYTJ-IONNQARKSA-N -1 0 319.325 -0.710 20 0 DBADRM CON1CCC(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001570922267 948638344 /nfs/dbraw/zinc/63/83/44/948638344.db2.gz HCIJAAVLKVPUSF-MRVPVSSYSA-N -1 0 321.345 -0.839 20 0 DBADRM CC[C@@H](C)[C@](C)(O)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001570922638 948645241 /nfs/dbraw/zinc/64/52/41/948645241.db2.gz LBTTTYXQLYERNS-FUXBKTLASA-N -1 0 323.357 -0.125 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CS1 ZINC001570922772 948646707 /nfs/dbraw/zinc/64/67/07/948646707.db2.gz NWXRRCHNZCVSGL-JGVFFNPUSA-N -1 0 323.386 -0.349 20 0 DBADRM O=C(Nc1nc(Cl)c(-c2nnn[n-]2)s1)NC(CO)CO ZINC001570923368 948660126 /nfs/dbraw/zinc/66/01/26/948660126.db2.gz YMIPHYNOMFZTHG-UHFFFAOYSA-N -1 0 319.734 -0.549 20 0 DBADRM COC[C@@](C)(NCC(=O)NC(=O)NCc1ccco1)C(=O)[O-] ZINC000328561208 971502708 /nfs/dbraw/zinc/50/27/08/971502708.db2.gz GHQHEUCGQBRMLZ-CYBMUJFWSA-N -1 0 313.310 -0.315 20 0 DBADRM COC[C@](C)(NCC(=O)NC(=O)NCc1ccco1)C(=O)[O-] ZINC000328561209 971502790 /nfs/dbraw/zinc/50/27/90/971502790.db2.gz GHQHEUCGQBRMLZ-ZDUSSCGKSA-N -1 0 313.310 -0.315 20 0 DBADRM CC[C@@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)OC ZINC001589554543 948775914 /nfs/dbraw/zinc/77/59/14/948775914.db2.gz PSNJOMYAVOCFLE-VIFPVBQESA-N -1 0 322.383 -0.183 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)C1(C(=O)[O-])CC=CC1 ZINC001589555360 948787672 /nfs/dbraw/zinc/78/76/72/948787672.db2.gz RKKVXFPAQLWMNX-SECBINFHSA-N -1 0 304.368 -0.149 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)C1(C(=O)[O-])CC=CC1 ZINC001589555361 948788173 /nfs/dbraw/zinc/78/81/73/948788173.db2.gz RKKVXFPAQLWMNX-VIFPVBQESA-N -1 0 304.368 -0.149 20 0 DBADRM CC[C@@](COC)(NC(=O)c1cc(C(=O)[O-])nn1C)C(=O)OC ZINC001589558365 948800770 /nfs/dbraw/zinc/80/07/70/948800770.db2.gz QXIYENPQYZBOGU-ZDUSSCGKSA-N -1 0 313.310 -0.184 20 0 DBADRM CC[C@@](COC)(N[C@@H]1CCN(CC(=O)[O-])C1=O)C(=O)OC ZINC001589558977 948805179 /nfs/dbraw/zinc/80/51/79/948805179.db2.gz YKHAIVZNPQHYAS-RNCFNFMXSA-N -1 0 302.327 -0.770 20 0 DBADRM C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1nncn1C ZINC000037657038 948839551 /nfs/dbraw/zinc/83/95/51/948839551.db2.gz VRZHXFGJRATCCN-MRVPVSSYSA-N -1 0 317.371 -0.493 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCC[C@H](CO)C2)CC1 ZINC000037656895 948839690 /nfs/dbraw/zinc/83/96/90/948839690.db2.gz WBOMBQUEUVLGNJ-JTQLQIEISA-N -1 0 306.384 -0.268 20 0 DBADRM CCCNC(=O)[C@@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037657001 948840330 /nfs/dbraw/zinc/84/03/30/948840330.db2.gz FYLRIDQYDXWOBN-SECBINFHSA-N -1 0 321.399 -0.468 20 0 DBADRM CC[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)[C@@H](O)C(F)F ZINC001589564951 948851890 /nfs/dbraw/zinc/85/18/90/948851890.db2.gz MVIKHHHIZSCKKU-OYNCUSHFSA-N -1 0 322.308 -0.170 20 0 DBADRM COC(=O)[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)C ZINC001570932614 948858200 /nfs/dbraw/zinc/85/82/00/948858200.db2.gz UPKJMACGWJCFES-JGVFFNPUSA-N -1 0 322.329 -0.667 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589568039 948884720 /nfs/dbraw/zinc/88/47/20/948884720.db2.gz ITQYFEHGGUKRPK-GHMZBOCLSA-N -1 0 313.354 -0.517 20 0 DBADRM CC[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@@H](O)C(F)F ZINC001589571051 948910747 /nfs/dbraw/zinc/91/07/47/948910747.db2.gz URZODPWUBOOLQK-BIIVOSGPSA-N -1 0 316.326 -0.226 20 0 DBADRM CS(=O)(=O)NCCNC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000062947764 948968975 /nfs/dbraw/zinc/96/89/75/948968975.db2.gz LNQVURUYRIVIOI-UHFFFAOYSA-N -1 0 302.312 -0.550 20 0 DBADRM CC[C@H](OC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC001589578418 948988656 /nfs/dbraw/zinc/98/86/56/948988656.db2.gz MHTDVONJTRIDLL-VIFPVBQESA-N -1 0 323.305 -0.404 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000079479748 949003674 /nfs/dbraw/zinc/00/36/74/949003674.db2.gz PTEXCIJERYSMRS-GFCCVEGCSA-N -1 0 315.351 -0.248 20 0 DBADRM CC(C)OCC(=O)NC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574929280 949086208 /nfs/dbraw/zinc/08/62/08/949086208.db2.gz BYWNJMCBGMUZSD-VIFPVBQESA-N -1 0 320.357 -0.580 20 0 DBADRM C[C@H](C(=O)NCC[C@H](C)CCO)n1cnc(-c2nnn[n-]2)n1 ZINC001574694723 949092629 /nfs/dbraw/zinc/09/26/29/949092629.db2.gz VFOIZFYVWUGJOR-DTWKUNHWSA-N -1 0 308.346 -0.456 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)NC[C@@](C)(O)C(=O)[O-])s1 ZINC000090276161 949120014 /nfs/dbraw/zinc/12/00/14/949120014.db2.gz WQILLWYQLPAABH-GFCCVEGCSA-N -1 0 300.336 -0.262 20 0 DBADRM COc1ccc(OC)c(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000090276879 949123056 /nfs/dbraw/zinc/12/30/56/949123056.db2.gz DHJSRPDWAUVTLC-LBPRGKRZSA-N -1 0 319.335 -0.182 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)c1ncnn1C ZINC001575251487 949140301 /nfs/dbraw/zinc/14/03/01/949140301.db2.gz NRZFKIFFTHWDMI-RNFRBKRXSA-N -1 0 317.317 -0.975 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)c1ccnn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001575255184 949226210 /nfs/dbraw/zinc/22/62/10/949226210.db2.gz YLCKMVNHNOTLPL-JGVFFNPUSA-N -1 0 316.329 -0.370 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)[C@@H]2COC[C@H]2O)C1 ZINC001589607876 949303137 /nfs/dbraw/zinc/30/31/37/949303137.db2.gz NFFAQEOZIKUNAX-FOGDFJRCSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])c1ccc(CN2CCN3[C@H](CNS3(=O)=O)C2)s1 ZINC001595227709 949327039 /nfs/dbraw/zinc/32/70/39/949327039.db2.gz SCMJDXKHBZVVTJ-MRVPVSSYSA-N -1 0 317.392 -0.220 20 0 DBADRM CCC1(CC)NC(=O)N(CCS(=O)(=O)CC(=O)[O-])C1=O ZINC001589614922 949352914 /nfs/dbraw/zinc/35/29/14/949352914.db2.gz BVLVAWGDLVIXBL-UHFFFAOYSA-N -1 0 306.340 -0.404 20 0 DBADRM C[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001575865515 949374462 /nfs/dbraw/zinc/37/44/62/949374462.db2.gz APXUJLDQTTZKAI-SFYZADRCSA-N -1 0 313.339 -0.149 20 0 DBADRM CC(C)n1ccnc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001574465087 949429640 /nfs/dbraw/zinc/42/96/40/949429640.db2.gz WTBDABDDJPWAPO-UHFFFAOYSA-N -1 0 316.329 -0.334 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CC3(C2)C[C@H](O)CNC3=O)c1 ZINC001595238871 949435198 /nfs/dbraw/zinc/43/51/98/949435198.db2.gz IWKFQYVGFKWLQV-NSHDSACASA-N -1 0 304.302 -0.292 20 0 DBADRM O=C([O-])c1cccc(C(=O)N[C@H](CO)CN2CCOCC2)c1 ZINC001595240543 949446974 /nfs/dbraw/zinc/44/69/74/949446974.db2.gz DTNKLYKXUAZRED-ZDUSSCGKSA-N -1 0 308.334 -0.192 20 0 DBADRM CC[C@@H]1CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C[C@H]1O ZINC001589625224 949470835 /nfs/dbraw/zinc/47/08/35/949470835.db2.gz YGWSEDSXEAHKRZ-NXEZZACHSA-N -1 0 319.379 -0.505 20 0 DBADRM CC[C@H]1CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C[C@H]1O ZINC001589625226 949470858 /nfs/dbraw/zinc/47/08/58/949470858.db2.gz YGWSEDSXEAHKRZ-VHSXEESVSA-N -1 0 319.379 -0.505 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@@H]1O ZINC001589625242 949471528 /nfs/dbraw/zinc/47/15/28/949471528.db2.gz YYPWXAHDZMHLDC-IUCAKERBSA-N -1 0 310.310 -0.865 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)C1CC1 ZINC000378831032 971584321 /nfs/dbraw/zinc/58/43/21/971584321.db2.gz RYBAIWCZIOGHOB-JTQLQIEISA-N -1 0 303.340 -0.329 20 0 DBADRM CCC[C@@H](C(=O)Nc1ccn(CC(=O)[O-])n1)S(N)(=O)=O ZINC001589630186 949525714 /nfs/dbraw/zinc/52/57/14/949525714.db2.gz BFLFMBFVVBFISE-ZETCQYMHSA-N -1 0 304.328 -0.637 20 0 DBADRM CCC[C@@H](C(=O)NC1(CC(=O)[O-])CCOCC1)S(N)(=O)=O ZINC001589630715 949531939 /nfs/dbraw/zinc/53/19/39/949531939.db2.gz LOQWPEHBPFAJAZ-VIFPVBQESA-N -1 0 322.383 -0.416 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)[C@@H]1CO ZINC000226922712 949590072 /nfs/dbraw/zinc/59/00/72/949590072.db2.gz ZHYRWBIYHDNBFS-MWLCHTKSSA-N -1 0 306.384 -0.270 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@@H](CO)O1 ZINC000229951181 949665403 /nfs/dbraw/zinc/66/54/03/949665403.db2.gz WPCHNBIEUBGZLH-KOLCDFICSA-N -1 0 322.383 -0.891 20 0 DBADRM Cn1ncc(C(=O)NCC[C@H](O)C(=O)[O-])c1Br ZINC000379140371 971604870 /nfs/dbraw/zinc/60/48/70/971604870.db2.gz AMIBJZAVCYFBJV-LURJTMIESA-N -1 0 306.116 -0.252 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCN([C@@H]3CCOC3)CC2)cn1 ZINC001595268154 949784921 /nfs/dbraw/zinc/78/49/21/949784921.db2.gz RPCAVXXCQLMAML-SNVBAGLBSA-N -1 0 306.322 -0.279 20 0 DBADRM O=C([O-])c1cncc(NC(=O)N(CCO)CCOCCO)c1 ZINC001595271279 949830198 /nfs/dbraw/zinc/83/01/98/949830198.db2.gz QSGOIKZWNFBSQI-UHFFFAOYSA-N -1 0 313.310 -0.385 20 0 DBADRM CCCN(C)C(=O)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589659939 949856759 /nfs/dbraw/zinc/85/67/59/949856759.db2.gz WBOMZEDMFQXHQW-JTQLQIEISA-N -1 0 313.354 -0.563 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000379215731 971616224 /nfs/dbraw/zinc/61/62/24/971616224.db2.gz HIHGLYNATDTENP-SNVBAGLBSA-N -1 0 324.289 -0.703 20 0 DBADRM CC(C)C[C@@H](C)NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001574146572 949943797 /nfs/dbraw/zinc/94/37/97/949943797.db2.gz ZXJMDYBWISKOFB-MRVPVSSYSA-N -1 0 321.341 -0.320 20 0 DBADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1)C(N)=O ZINC000379244186 971621724 /nfs/dbraw/zinc/62/17/24/971621724.db2.gz ZFQMFZPWNXGUAB-SNVBAGLBSA-N -1 0 322.321 -0.114 20 0 DBADRM CCCN(CCO)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001589674448 949977458 /nfs/dbraw/zinc/97/74/58/949977458.db2.gz XOWSNTDKLAAHPR-UHFFFAOYSA-N -1 0 300.355 -0.069 20 0 DBADRM C[C@H](CNC(=O)[C@@H](C)n1cncn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485296380 1013096345 /nfs/dbraw/zinc/09/63/45/1013096345.db2.gz PRAYFYHVTDMXAT-RKDXNWHRSA-N -1 0 308.346 -0.701 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CCC1 ZINC001595281815 949979402 /nfs/dbraw/zinc/97/94/02/949979402.db2.gz CVRHNBLYVXNTMF-SNVBAGLBSA-N -1 0 316.379 -0.076 20 0 DBADRM CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001589675009 949988169 /nfs/dbraw/zinc/98/81/69/949988169.db2.gz LTPGGJIWCGQGRS-MWLCHTKSSA-N -1 0 311.338 -0.019 20 0 DBADRM CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001589675006 949988199 /nfs/dbraw/zinc/98/81/99/949988199.db2.gz LTPGGJIWCGQGRS-KOLCDFICSA-N -1 0 311.338 -0.019 20 0 DBADRM CCCNC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589675134 949991933 /nfs/dbraw/zinc/99/19/33/949991933.db2.gz ODVWBYMHMHJEDK-NXEZZACHSA-N -1 0 313.354 -0.660 20 0 DBADRM CCCN1CCCN(CCS(=O)(=O)CC(=O)[O-])CC1=O ZINC001589675815 949997996 /nfs/dbraw/zinc/99/79/96/949997996.db2.gz ZSRNCFLVSMPDOA-UHFFFAOYSA-N -1 0 306.384 -0.570 20 0 DBADRM CCCNC(=O)C1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001589676867 950000543 /nfs/dbraw/zinc/00/05/43/950000543.db2.gz IPFABCPNTHMIJX-NSHDSACASA-N -1 0 311.338 -0.019 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N2CCNC(=O)CC2)c1 ZINC001595285963 950029632 /nfs/dbraw/zinc/02/96/32/950029632.db2.gz LWRWYYQPIDSYHG-UHFFFAOYSA-N -1 0 306.278 -0.933 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000262126129 950068156 /nfs/dbraw/zinc/06/81/56/950068156.db2.gz NOZRDPMJAHUGET-OPRDCNLKSA-N -1 0 304.368 -0.363 20 0 DBADRM O=C([O-])C1CCN(Cc2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001595292727 950083556 /nfs/dbraw/zinc/08/35/56/950083556.db2.gz NDBNNNKDVYHSNB-LLVKDONJSA-N -1 0 309.326 -0.317 20 0 DBADRM O=C([O-])[C@H]1CCCCN1Cc1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001595293364 950091004 /nfs/dbraw/zinc/09/10/04/950091004.db2.gz SAPYDCCYZJEINA-WDEREUQCSA-N -1 0 309.326 -0.174 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC[C@@H]1CCCNC1=O)C2 ZINC001595293350 950091457 /nfs/dbraw/zinc/09/14/57/950091457.db2.gz RQVNMGDPWFAIOY-BHDSKKPTSA-N -1 0 311.338 -0.745 20 0 DBADRM O=C([O-])[C@H](C(=O)NCc1nnc2n1CCNC2=O)C1CCCC1 ZINC001595295202 950115338 /nfs/dbraw/zinc/11/53/38/950115338.db2.gz XFGDMOPHSQJDBO-JTQLQIEISA-N -1 0 321.337 -0.471 20 0 DBADRM O=CN1CCCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001595295794 950131851 /nfs/dbraw/zinc/13/18/51/950131851.db2.gz FOFSAVNIBLNEBF-NSHDSACASA-N -1 0 311.338 -1.000 20 0 DBADRM O=C([O-])C1(C(=O)N2CC[C@@H](N3CCOC3=O)C2)CCOCC1 ZINC001595295859 950134921 /nfs/dbraw/zinc/13/49/21/950134921.db2.gz IDNJBMDPQPPNSY-SNVBAGLBSA-N -1 0 312.322 -0.079 20 0 DBADRM CCN(C(=O)C(=O)Nc1cccc(C(N)=O)n1)[C@H](C)C(=O)[O-] ZINC001589697369 950180706 /nfs/dbraw/zinc/18/07/06/950180706.db2.gz QHOJEGAGKUJWHC-SSDOTTSWSA-N -1 0 308.294 -0.559 20 0 DBADRM CCN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)[C@H]1CCNC1=O ZINC001589700765 950233225 /nfs/dbraw/zinc/23/32/25/950233225.db2.gz VVKRYGMCHGORGL-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN([C@H](C)C(=O)[O-])S(=O)(=O)CCn1nc(C)oc1=O ZINC001589713423 950345492 /nfs/dbraw/zinc/34/54/92/950345492.db2.gz QFMFCMRBYIKGIS-SSDOTTSWSA-N -1 0 307.328 -0.730 20 0 DBADRM CCN(C)C(=O)Cn1nnnc1N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001589713833 950355052 /nfs/dbraw/zinc/35/50/52/950355052.db2.gz PASWCZYKWRZLQS-UWVGGRQHSA-N -1 0 310.358 -0.302 20 0 DBADRM CCN(CC)C(=O)Cn1nnnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001589720340 950415791 /nfs/dbraw/zinc/41/57/91/950415791.db2.gz UMTBJXMPUPDINW-ZDUSSCGKSA-N -1 0 310.358 -0.158 20 0 DBADRM CCN(CCCNC(=O)c1cc(C(=O)[O-])n[nH]1)S(C)(=O)=O ZINC001589730725 950503318 /nfs/dbraw/zinc/50/33/18/950503318.db2.gz SLXLMNCEZZPZFE-UHFFFAOYSA-N -1 0 318.355 -0.491 20 0 DBADRM CCN(CC(=O)NC)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000380060866 971673065 /nfs/dbraw/zinc/67/30/65/971673065.db2.gz FURBNMOOHGARTL-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H](C)C(=O)[O-])CCN2C1=O ZINC001589740412 950577502 /nfs/dbraw/zinc/57/75/02/950577502.db2.gz SOCKIYJQUQDTNR-BDAKNGLRSA-N -1 0 312.326 -0.615 20 0 DBADRM CCN1C(=O)CO[C@H](C(=O)NCCC(=O)[O-])[C@H]1c1ccnn1C ZINC001589740679 950586704 /nfs/dbraw/zinc/58/67/04/950586704.db2.gz ZNWZWSOKKDEHOQ-OLZOCXBDSA-N -1 0 324.337 -0.701 20 0 DBADRM CCN1CC[C@@H](OC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1=O ZINC001589741164 950590178 /nfs/dbraw/zinc/59/01/78/950590178.db2.gz CVFPTLSZOPMEAO-VHSXEESVSA-N -1 0 312.322 -0.526 20 0 DBADRM C[S@](=O)C1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000380119796 971678071 /nfs/dbraw/zinc/67/80/71/971678071.db2.gz PRJGYJSYZKDHBF-IBGZPJMESA-N -1 0 324.424 -0.472 20 0 DBADRM C[S@@](=O)C1(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000380119062 971678156 /nfs/dbraw/zinc/67/81/56/971678156.db2.gz OYCGQFTUYKLCCM-GSDQLPOLSA-N -1 0 304.368 -0.217 20 0 DBADRM CC(C)NC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000380148457 971680861 /nfs/dbraw/zinc/68/08/61/971680861.db2.gz WVBVVKDRGDLZAI-UHFFFAOYSA-N -1 0 301.324 -0.417 20 0 DBADRM CCN1CCN(CCc2noc(CCC(=O)[O-])n2)C(=O)C1=O ZINC001589744576 950659431 /nfs/dbraw/zinc/65/94/31/950659431.db2.gz UAJGASKQSLZGMH-UHFFFAOYSA-N -1 0 310.310 -0.680 20 0 DBADRM C[C@@H](CNC(=O)c1ccn[nH]1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575005373 950681773 /nfs/dbraw/zinc/68/17/73/950681773.db2.gz CJNDLWQDLPQUHW-ZETCQYMHSA-N -1 0 314.313 -0.968 20 0 DBADRM CCN1CCC[C@@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1=O ZINC001589745107 950682575 /nfs/dbraw/zinc/68/25/75/950682575.db2.gz XKKXURDOGZFKIG-ZJUUUORDSA-N -1 0 319.383 -0.619 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N(CCC(=O)OC)CC(=O)[O-] ZINC001589881882 950685327 /nfs/dbraw/zinc/68/53/27/950685327.db2.gz DLBFEBJDQPIXAV-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM CCN1c2ccccc2N(CC(=O)NCC(=O)[O-])S1(=O)=O ZINC001589882000 950687321 /nfs/dbraw/zinc/68/73/21/950687321.db2.gz GGBWWDHCEFYPKV-UHFFFAOYSA-N -1 0 313.335 -0.222 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001589962482 950743473 /nfs/dbraw/zinc/74/34/73/950743473.db2.gz MKXVINVBLISQRL-NXEZZACHSA-N -1 0 322.383 -0.688 20 0 DBADRM COCC[C@@H](COC)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000380316319 971689105 /nfs/dbraw/zinc/68/91/05/971689105.db2.gz MDZWYIBTRCDWRZ-ZETCQYMHSA-N -1 0 307.328 -0.562 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(C)(C)S(C)(=O)=O)C1 ZINC000312554273 950764084 /nfs/dbraw/zinc/76/40/84/950764084.db2.gz KOIMQDQWAGUBHA-LBPRGKRZSA-N -1 0 307.368 -0.241 20 0 DBADRM CCOC(=O)[C@@](C)(O)CNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001590058524 950779003 /nfs/dbraw/zinc/77/90/03/950779003.db2.gz ODZJRJMGYGMMDT-LBPRGKRZSA-N -1 0 314.298 -0.597 20 0 DBADRM CCOC(=O)[C@H](C)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001590058829 950780406 /nfs/dbraw/zinc/78/04/06/950780406.db2.gz RHVRODUFFKXSTG-BDAKNGLRSA-N -1 0 308.356 -0.431 20 0 DBADRM COCCn1nc(C(=O)N2CCC(C(=O)[O-])CC2)ccc1=O ZINC000314388433 950815339 /nfs/dbraw/zinc/81/53/39/950815339.db2.gz RUAIUBMZBGCWPE-UHFFFAOYSA-N -1 0 309.322 -0.174 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@H](C)C(=O)[O-])[C@H](O)c1ccncc1 ZINC001590137133 950819604 /nfs/dbraw/zinc/81/96/04/950819604.db2.gz DDECTNFJCJHFRI-JMJZKYOTSA-N -1 0 310.306 -0.116 20 0 DBADRM CCOC(=O)[C@H](F)C1CN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001590137582 950822436 /nfs/dbraw/zinc/82/24/36/950822436.db2.gz JNZKIDSXWFGNBU-DTWKUNHWSA-N -1 0 302.258 -0.425 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC000314937245 950831940 /nfs/dbraw/zinc/83/19/40/950831940.db2.gz MIBCXZUGOYUXLK-MFKMUULPSA-N -1 0 319.379 -0.097 20 0 DBADRM C[C@H]1CN(C(=O)NCCCCS(N)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000315281906 950841632 /nfs/dbraw/zinc/84/16/32/950841632.db2.gz VYCIIXNZHKDNDA-UWVGGRQHSA-N -1 0 321.399 -0.193 20 0 DBADRM O=C([O-])CC1(C(=O)N2C[C@@H](CO)[C@H](CCO)C2)CCOCC1 ZINC001594972805 950872740 /nfs/dbraw/zinc/87/27/40/950872740.db2.gz YLCLDUNHRRRGGY-NEPJUHHUSA-N -1 0 315.366 -0.293 20 0 DBADRM O=C([O-])CC1(C(=O)N2C[C@H](CO)[C@@H](CCO)C2)CCOCC1 ZINC001594972807 950873045 /nfs/dbraw/zinc/87/30/45/950873045.db2.gz YLCLDUNHRRRGGY-NWDGAFQWSA-N -1 0 315.366 -0.293 20 0 DBADRM O=C([O-])CC1(C(=O)NCCS(=O)(=O)C2CC2)CCOCC1 ZINC001594974120 950901007 /nfs/dbraw/zinc/90/10/07/950901007.db2.gz PBCHMZXUZOQSEN-UHFFFAOYSA-N -1 0 319.379 -0.049 20 0 DBADRM CCOC(=O)CC1(NC(=O)c2cc(C(=O)[O-])nn2C)COC1 ZINC001590378520 950941309 /nfs/dbraw/zinc/94/13/09/950941309.db2.gz UKOGFCXAWFCWAO-UHFFFAOYSA-N -1 0 311.294 -0.430 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCCN2CCOCC2)C1 ZINC000319040724 950944416 /nfs/dbraw/zinc/94/44/16/950944416.db2.gz BGFROJRQXVRSKT-AWEZNQCLSA-N -1 0 315.370 -0.549 20 0 DBADRM CN(Cc1nncn1C)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000320462123 950989322 /nfs/dbraw/zinc/98/93/22/950989322.db2.gz DSRWSLXLFIXKPC-UHFFFAOYSA-N -1 0 311.342 -0.162 20 0 DBADRM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NCCC(=O)[O-])C1 ZINC001590873676 951007646 /nfs/dbraw/zinc/00/76/46/951007646.db2.gz NZSSVNXQULITFQ-RKDXNWHRSA-N -1 0 303.315 -0.791 20 0 DBADRM CCOC(=O)N[C@@H]1CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001590883841 951013710 /nfs/dbraw/zinc/01/37/10/951013710.db2.gz DYPXDSSFNGFYKQ-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cnn(C[C@H](O)CO)c1 ZINC001594984820 951015276 /nfs/dbraw/zinc/01/52/76/951015276.db2.gz ZVDMIJODTXWDNG-RYUDHWBXSA-N -1 0 311.338 -0.294 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001590957464 951023276 /nfs/dbraw/zinc/02/32/76/951023276.db2.gz AJRGGMKUFPSHBE-AEJSXWLSSA-N -1 0 305.352 -0.631 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2CCn3ncnc3C2)C1 ZINC001594987454 951025758 /nfs/dbraw/zinc/02/57/58/951025758.db2.gz CEPRMPQUCWGLGI-SNVBAGLBSA-N -1 0 321.337 -0.666 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C2=NN(CCO)C(=O)CC2)C1 ZINC001594987513 951026604 /nfs/dbraw/zinc/02/66/04/951026604.db2.gz DXATUNYDIFPLQE-JTQLQIEISA-N -1 0 311.338 -0.330 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000322949483 951040335 /nfs/dbraw/zinc/04/03/35/951040335.db2.gz RFXDRDBNNJWHCS-ZANVPECISA-N -1 0 301.343 -0.356 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(c2nnnn2C[C@H]2COCCO2)C1 ZINC001594993694 951067598 /nfs/dbraw/zinc/06/75/98/951067598.db2.gz HCCSBNGSRGLDLL-QWRGUYRKSA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])CCC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001594996482 951085078 /nfs/dbraw/zinc/08/50/78/951085078.db2.gz UPRIUSHLTQWOSB-CABZTGNLSA-N -1 0 305.352 -0.296 20 0 DBADRM O=C([O-])CCC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001594996496 951085792 /nfs/dbraw/zinc/08/57/92/951085792.db2.gz UPRIUSHLTQWOSB-SKDRFNHKSA-N -1 0 305.352 -0.296 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)NCCN2CCOCC2)CO1 ZINC001595002077 951142439 /nfs/dbraw/zinc/14/24/39/951142439.db2.gz RNXUOIXHTUFACZ-RYUDHWBXSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)N2CCC[C@@H](CO)[C@H]2CO)CO1 ZINC001595002443 951150456 /nfs/dbraw/zinc/15/04/56/951150456.db2.gz HNETXVAEYVPBDM-QNWHQSFQSA-N -1 0 315.366 -0.152 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)OCCN2CCNC2=O)CO1 ZINC001595002576 951151317 /nfs/dbraw/zinc/15/13/17/951151317.db2.gz AAWPIRXTKKMOJU-ZJUUUORDSA-N -1 0 300.311 -0.175 20 0 DBADRM CCOC1CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001591765475 951222846 /nfs/dbraw/zinc/22/28/46/951222846.db2.gz YANSJYNYNKOZFQ-UHFFFAOYSA-N -1 0 305.352 -0.487 20 0 DBADRM CCOCCN(C)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001591877644 951235228 /nfs/dbraw/zinc/23/52/28/951235228.db2.gz JWOIWDZLVMDXAR-UHFFFAOYSA-N -1 0 307.368 -0.239 20 0 DBADRM CCOCCOC[C@@H](O)CNC(=O)c1ccc(C(=O)[O-])cn1 ZINC001591926286 951243755 /nfs/dbraw/zinc/24/37/55/951243755.db2.gz KODCCLJYBDSIAX-NSHDSACASA-N -1 0 312.322 -0.076 20 0 DBADRM CCOCCOCCN(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001591926728 951247518 /nfs/dbraw/zinc/24/75/18/951247518.db2.gz USFUNMNBYOMQSI-NSHDSACASA-N -1 0 324.399 -0.235 20 0 DBADRM CCOc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])on1 ZINC001592094599 951299551 /nfs/dbraw/zinc/29/95/51/951299551.db2.gz PHWJRLZXEBPJOT-ZETCQYMHSA-N -1 0 318.307 -0.603 20 0 DBADRM O=C([O-])CS(=O)(=O)CCn1cnc2ccsc2c1=O ZINC000388258441 951328275 /nfs/dbraw/zinc/32/82/75/951328275.db2.gz KDTJXIKZQRPAPM-UHFFFAOYSA-N -1 0 302.333 -0.043 20 0 DBADRM O=C([O-])CCCC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001595025119 951341307 /nfs/dbraw/zinc/34/13/07/951341307.db2.gz CQBLENCDQDUEMY-UHFFFAOYSA-N -1 0 315.351 -0.269 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cnc(OC)s1 ZINC000389036904 951342509 /nfs/dbraw/zinc/34/25/09/951342509.db2.gz FJQOKGMNZLVJNQ-UHFFFAOYSA-N -1 0 310.353 -0.127 20 0 DBADRM O=C([O-])CCCCCNC(=O)C(=O)N1CCn2cnnc2C1 ZINC001595035095 951398673 /nfs/dbraw/zinc/39/86/73/951398673.db2.gz WNOJMWKZCJKSDD-UHFFFAOYSA-N -1 0 309.326 -0.619 20 0 DBADRM CCS(=O)(=O)C1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001593123076 951409193 /nfs/dbraw/zinc/40/91/93/951409193.db2.gz MQLSTUPDKPFFJR-SNVBAGLBSA-N -1 0 318.351 -0.358 20 0 DBADRM O=C([O-])CCCCCNC(=O)NCCN1CCNC(=O)C1 ZINC001595037056 951410260 /nfs/dbraw/zinc/41/02/60/951410260.db2.gz XHPJQHOLRQTKRY-UHFFFAOYSA-N -1 0 300.359 -0.638 20 0 DBADRM CCS(=O)(=O)C1CCN(CN2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001593123781 951412163 /nfs/dbraw/zinc/41/21/63/951412163.db2.gz YRKWJFSAXCATIS-SNVBAGLBSA-N -1 0 318.395 -0.224 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)c2cc(C(=O)[O-])nn2C)C1 ZINC001593277832 951421947 /nfs/dbraw/zinc/42/19/47/951421947.db2.gz UGXYUIPDXSVYMK-UHFFFAOYSA-N -1 0 301.324 -0.623 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC001595041062 951423530 /nfs/dbraw/zinc/42/35/30/951423530.db2.gz MHPFZUNCPLWIAG-VIFPVBQESA-N -1 0 311.338 -0.763 20 0 DBADRM C[S@](=O)C1(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)CCC1 ZINC000393781580 951442211 /nfs/dbraw/zinc/44/22/11/951442211.db2.gz UKHHYXZIGFXBOU-LXGOIASLSA-N -1 0 304.368 -0.217 20 0 DBADRM CC(C)S(=O)(=O)CCNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000394255465 951450026 /nfs/dbraw/zinc/45/00/26/951450026.db2.gz YTZFERGJEVMQTE-SECBINFHSA-N -1 0 308.356 -0.695 20 0 DBADRM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)c1cn(CC(=O)[O-])nn1 ZINC000394293222 951450777 /nfs/dbraw/zinc/45/07/77/951450777.db2.gz PPGLJIRIWFXPCF-CDJGPZEFSA-N -1 0 306.322 -0.142 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCc1ncc2c(n1)CCOC2 ZINC001595048230 951452295 /nfs/dbraw/zinc/45/22/95/951452295.db2.gz FMXLRKZRHBAAAJ-UHFFFAOYSA-N -1 0 322.321 -0.854 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC001595048552 951457870 /nfs/dbraw/zinc/45/78/70/951457870.db2.gz WBHFFHQCHMKLKI-QMMMGPOBSA-N -1 0 307.297 -0.577 20 0 DBADRM O=C([O-])CCCNC(=O)NCc1cn(C2CC2)c(=O)[nH]c1=O ZINC001595050292 951467157 /nfs/dbraw/zinc/46/71/57/951467157.db2.gz UDQSAKKCSQCUBQ-UHFFFAOYSA-N -1 0 310.310 -0.052 20 0 DBADRM O=C([O-])CCN(C(=O)[C@H]1CCS(=O)(=O)N1)C1CCOCC1 ZINC001595053387 951482369 /nfs/dbraw/zinc/48/23/69/951482369.db2.gz NPPGCVXXKAZWKZ-SNVBAGLBSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ccc3n[nH]cc3c2)CC1 ZINC000396738618 951485497 /nfs/dbraw/zinc/48/54/97/951485497.db2.gz MZUJEGPGXZAHNA-UHFFFAOYSA-N -1 0 302.290 -0.068 20 0 DBADRM CC[C@@](COC)(NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000381282897 971752247 /nfs/dbraw/zinc/75/22/47/971752247.db2.gz HFWRWPQDSRUNNY-NSHDSACASA-N -1 0 308.356 -0.694 20 0 DBADRM O=C([O-])CN(C(=O)[C@H]1COC(=O)N1)c1ccc2c(c1)OCO2 ZINC001595067793 951575569 /nfs/dbraw/zinc/57/55/69/951575569.db2.gz RXIICZKRABUDQE-MRVPVSSYSA-N -1 0 308.246 -0.059 20 0 DBADRM O=C([O-])CN(C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C1CCC1 ZINC001595068878 951580050 /nfs/dbraw/zinc/58/00/50/951580050.db2.gz GTBUHIPGAHCDCH-SECBINFHSA-N -1 0 323.309 -0.534 20 0 DBADRM C[C@@H](CNC(=O)Cc1ccccc1C(=O)[O-])S(N)(=O)=O ZINC000398268251 951587304 /nfs/dbraw/zinc/58/73/04/951587304.db2.gz OFAKPQSVKLHMJY-QMMMGPOBSA-N -1 0 300.336 -0.280 20 0 DBADRM CCC(CC)(CNC(=O)NC[C@@H](C)S(N)(=O)=O)C(=O)[O-] ZINC000398340517 951588319 /nfs/dbraw/zinc/58/83/19/951588319.db2.gz RKYWOQVYAMRKIU-MRVPVSSYSA-N -1 0 309.388 -0.146 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCN(c3cccnn3)CC2)C1=O ZINC001595073565 951614291 /nfs/dbraw/zinc/61/42/91/951614291.db2.gz AFBUCSKSMYSUOR-LLVKDONJSA-N -1 0 305.338 -0.716 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCN(Cc3cn[nH]c3)CC2)C1=O ZINC001595073833 951620258 /nfs/dbraw/zinc/62/02/58/951620258.db2.gz JDWUHTYEMREJNH-LBPRGKRZSA-N -1 0 307.354 -0.787 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCOC[C@@H]2C[C@H]2CCOC2)C1=O ZINC001595074429 951631768 /nfs/dbraw/zinc/63/17/68/951631768.db2.gz RRJKTKOZIOTINA-AGIUHOORSA-N -1 0 312.366 -0.201 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCN(CC(F)(F)F)C(=O)C2)C1=O ZINC001595074804 951637857 /nfs/dbraw/zinc/63/78/57/951637857.db2.gz XJJYCEGMXGTNPD-QMMMGPOBSA-N -1 0 323.271 -0.622 20 0 DBADRM C[C@H]1C[C@@H](O)CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000401860687 951664744 /nfs/dbraw/zinc/66/47/44/951664744.db2.gz YWRWCHJNNZEWQN-GXSJLCMTSA-N -1 0 306.384 -0.270 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCCO[C@H]2CCOC2)C1=O ZINC001595081447 951683097 /nfs/dbraw/zinc/68/30/97/951683097.db2.gz AAJIMWNQBKISJF-WDEREUQCSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCCC2(CO)CCC2)C1=O ZINC001595081609 951685278 /nfs/dbraw/zinc/68/52/78/951685278.db2.gz BVGINLBRJWEFLY-LLVKDONJSA-N -1 0 312.366 -0.022 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCCc2ccc(=O)[nH]c2)C1=O ZINC001595082368 951696431 /nfs/dbraw/zinc/69/64/31/951696431.db2.gz HNUZDJFVWJDPRO-LLVKDONJSA-N -1 0 321.333 -0.231 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCOC[C@@H]2C2CC2)C1=O ZINC001595082603 951699751 /nfs/dbraw/zinc/69/97/51/951699751.db2.gz GVVRXKPGDYUHDN-NWDGAFQWSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)c2cnn3ccncc23)C1=O ZINC001595082703 951701160 /nfs/dbraw/zinc/70/11/60/951701160.db2.gz UCSHEAUTTXUJLE-SNVBAGLBSA-N -1 0 304.262 -0.428 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@H]2C[C@@H](O)C23CCC3)C1=O ZINC001595082923 951704373 /nfs/dbraw/zinc/70/43/73/951704373.db2.gz HXFYURXQYAFSRL-OUAUKWLOSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1=O ZINC001595083401 951709006 /nfs/dbraw/zinc/70/90/06/951709006.db2.gz KTBWQDOLCBWBJU-GHMZBOCLSA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCc2cc(=O)cc[nH]2)C1=O ZINC001595084460 951716011 /nfs/dbraw/zinc/71/60/11/951716011.db2.gz WPFHYTBGDKXBCQ-NSHDSACASA-N -1 0 307.306 -0.686 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@H]2CCc3cncn3C2)C1=O ZINC001595085901 951727532 /nfs/dbraw/zinc/72/75/32/951727532.db2.gz XAXPGFFQAGGAQN-JQWIXIFHSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCN(C3CC3)C(=O)C2)C1=O ZINC001595087029 951741981 /nfs/dbraw/zinc/74/19/81/951741981.db2.gz QCPYKCVQGJTEJE-NSHDSACASA-N -1 0 323.349 -0.857 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@H](c3nnc[nH]3)C2)C1=O ZINC001595087817 951750495 /nfs/dbraw/zinc/75/04/95/951750495.db2.gz YTIARCWQSXBKGG-UWVGGRQHSA-N -1 0 321.337 -0.556 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)C1=O ZINC001595089369 951756925 /nfs/dbraw/zinc/75/69/25/951756925.db2.gz CKDDWUXXCLUCTE-OTMMVIPVSA-N -1 0 308.334 -0.207 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NC[C@H]2COCO2)C1=O ZINC001595090249 951766347 /nfs/dbraw/zinc/76/63/47/951766347.db2.gz GPFDDXVOCLAUBK-VHSXEESVSA-N -1 0 315.326 -0.876 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)N2CCC[C@H](O)C2)C1=O ZINC001595090864 951771756 /nfs/dbraw/zinc/77/17/56/951771756.db2.gz LDDMSTVDVLCQKI-WDEREUQCSA-N -1 0 313.354 -0.382 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)CNC(=O)C2CC2)C1=O ZINC001595091399 951778355 /nfs/dbraw/zinc/77/83/55/951778355.db2.gz ZEDMXKKZERMRRH-JTQLQIEISA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NC[C@H]2CCCO2)C1=O ZINC001595091551 951780555 /nfs/dbraw/zinc/78/05/55/951780555.db2.gz SHGFNYTZFKYHTI-GHMZBOCLSA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)[C@@H](O)c2ccccn2)C1=O ZINC001595092335 951791793 /nfs/dbraw/zinc/79/17/93/951791793.db2.gz PDMAFWPUBSIDNO-AAEUAGOBSA-N -1 0 321.333 -0.303 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NS(=O)(=O)NC2CC2)C1=O ZINC001595095959 951813346 /nfs/dbraw/zinc/81/33/46/951813346.db2.gz CAKNSUAFYDQQSV-SECBINFHSA-N -1 0 305.356 -0.962 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](N=c2nc[nH]n2CC2CC2)C1=O ZINC001595097068 951826753 /nfs/dbraw/zinc/82/67/53/951826753.db2.gz UEDNIUZGNDWGJH-LLVKDONJSA-N -1 0 307.354 -0.012 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)[C@@H]2C[C@]2(c2ccccc2)C1=O ZINC001595097474 951833252 /nfs/dbraw/zinc/83/32/52/951833252.db2.gz LQVIRNPYINRHMF-ZUZCIYMTSA-N -1 0 302.286 -0.486 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(-n2cc[nH]c2=O)cc1 ZINC001595100302 951851644 /nfs/dbraw/zinc/85/16/44/951851644.db2.gz QWNWVPZLQMRQGU-UHFFFAOYSA-N -1 0 319.273 -0.065 20 0 DBADRM O=C([O-])CNC(=O)Cn1cc(CNCc2ccc(F)cc2)nn1 ZINC001595100581 951852390 /nfs/dbraw/zinc/85/23/90/951852390.db2.gz CYHWLEOUVYEIQX-UHFFFAOYSA-N -1 0 321.312 -0.092 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cccc(Cn2ccnn2)c1 ZINC001595100484 951852647 /nfs/dbraw/zinc/85/26/47/951852647.db2.gz ZAEUQLYXOXYVGZ-UHFFFAOYSA-N -1 0 318.289 -0.316 20 0 DBADRM O=C([O-])COCC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC001595108270 951899238 /nfs/dbraw/zinc/89/92/38/951899238.db2.gz PZDJRUZCSMRPBN-ZDUSSCGKSA-N -1 0 323.349 -0.500 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCC[C@H]1c1ccncc1 ZINC001595112566 951914946 /nfs/dbraw/zinc/91/49/46/951914946.db2.gz YJEUCZTZXZGQAD-LBPRGKRZSA-N -1 0 321.333 -0.038 20 0 DBADRM O=C([O-])COCCNC(=O)CNC(=O)c1ccc(F)cc1F ZINC001595112567 951915389 /nfs/dbraw/zinc/91/53/89/951915389.db2.gz YLQLNBDEVZXIOY-UHFFFAOYSA-N -1 0 316.260 -0.088 20 0 DBADRM O=C([O-])COCCOCCNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001595112768 951917444 /nfs/dbraw/zinc/91/74/44/951917444.db2.gz IQSFUOMGIPBQGS-JTQLQIEISA-N -1 0 323.367 -0.812 20 0 DBADRM O=C([O-])COCCOCCNC(=O)[C@H]1CCc2cncn2C1 ZINC001595113142 951922340 /nfs/dbraw/zinc/92/23/40/951922340.db2.gz YKYHEEROXWKFSM-NSHDSACASA-N -1 0 311.338 -0.321 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC001595114261 951936211 /nfs/dbraw/zinc/93/62/11/951936211.db2.gz YBPHXGPTCIRRNQ-VXGBXAGGSA-N -1 0 318.370 -0.046 20 0 DBADRM CN(CCC(N)=O)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000381921332 971788172 /nfs/dbraw/zinc/78/81/72/971788172.db2.gz KTUCFSYTJKXLAT-UHFFFAOYSA-N -1 0 300.336 -0.190 20 0 DBADRM O=C([O-])COc1ccc(C(=O)Nn2ccc(=O)[nH]c2=O)cc1 ZINC001595118902 951959814 /nfs/dbraw/zinc/95/98/14/951959814.db2.gz CBGGYPRFBHGOOV-UHFFFAOYSA-N -1 0 305.246 -0.204 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC(NC(=O)C2CC2)CC1 ZINC001595123519 951987130 /nfs/dbraw/zinc/98/71/30/951987130.db2.gz GLRRDCNBIOEHLJ-UHFFFAOYSA-N -1 0 318.395 -0.524 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CC[C@H](N2CCOC2=O)C1 ZINC001595123646 951988583 /nfs/dbraw/zinc/98/85/83/951988583.db2.gz LPSUWIDOCPAOIP-VIFPVBQESA-N -1 0 306.340 -0.988 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC001595123996 951993561 /nfs/dbraw/zinc/99/35/61/951993561.db2.gz IAOZFTTYQPKEPF-VXGBXAGGSA-N -1 0 320.411 -0.983 20 0 DBADRM NC(=O)C1CN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])C1 ZINC000381976182 971793265 /nfs/dbraw/zinc/79/32/65/971793265.db2.gz WVNRXCZJFOUDEW-UHFFFAOYSA-N -1 0 302.283 -0.370 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCOC[C@@H]1C[C@H]1CCCO1 ZINC001595124488 952000001 /nfs/dbraw/zinc/00/00/01/952000001.db2.gz SWZUHVAYYDVTOY-NWDGAFQWSA-N -1 0 321.395 -0.244 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC[C@@H]1CN1CCOCC1 ZINC001595124430 952000037 /nfs/dbraw/zinc/00/00/37/952000037.db2.gz QQHKGUVSZDDNGW-GFCCVEGCSA-N -1 0 320.411 -0.718 20 0 DBADRM NC(=O)C1CN(S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)C1 ZINC000381995114 971794094 /nfs/dbraw/zinc/79/40/94/971794094.db2.gz MPRAAXXLYJJJAH-UHFFFAOYSA-N -1 0 324.358 -0.091 20 0 DBADRM O=C([O-])CSCC(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001595126828 952017822 /nfs/dbraw/zinc/01/78/22/952017822.db2.gz RFKGGTVPKRRRSA-NSHDSACASA-N -1 0 304.324 -0.858 20 0 DBADRM O=C([O-])CSCC(=O)OCc1nnc2n1CCOCC2 ZINC001595127667 952019120 /nfs/dbraw/zinc/01/91/20/952019120.db2.gz BVTSJZBYZPYWEM-UHFFFAOYSA-N -1 0 301.324 -0.288 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NCC(F)(F)CO ZINC001595138436 952068228 /nfs/dbraw/zinc/06/82/28/952068228.db2.gz LXBKSFIJIFQTMA-UHFFFAOYSA-N -1 0 316.260 -0.004 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001595138490 952069170 /nfs/dbraw/zinc/06/91/70/952069170.db2.gz PZFMBKQQLYREAL-GDNZZTSVSA-N -1 0 318.329 -0.051 20 0 DBADRM O=C([O-])Cn1cc(-c2noc([C@@H]3CCC(=O)C3)n2)c(=O)[nH]c1=O ZINC001595140615 952076058 /nfs/dbraw/zinc/07/60/58/952076058.db2.gz VUYBYARTVWJVML-ZCFIWIBFSA-N -1 0 320.261 -0.080 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)nn1 ZINC001595141467 952081640 /nfs/dbraw/zinc/08/16/40/952081640.db2.gz FJXJBOGDONSOLU-LLVKDONJSA-N -1 0 322.296 -0.165 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)nn1 ZINC001595141505 952082544 /nfs/dbraw/zinc/08/25/44/952082544.db2.gz FZHADOJIXYSOHC-SSDOTTSWSA-N -1 0 321.259 -0.271 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@H](CN3CCCC3=O)C2)nn1 ZINC001595141611 952083395 /nfs/dbraw/zinc/08/33/95/952083395.db2.gz BWEQGDLFGQECJA-SNVBAGLBSA-N -1 0 321.337 -0.553 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@@](CO)(C(F)(F)F)C2)nn1 ZINC001595141636 952084181 /nfs/dbraw/zinc/08/41/81/952084181.db2.gz CADUAGTZFZUPFX-SNVBAGLBSA-N -1 0 322.243 -0.250 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)nn1 ZINC001595141763 952085219 /nfs/dbraw/zinc/08/52/19/952085219.db2.gz FCQRLZYXTBTOAW-WDEREUQCSA-N -1 0 324.337 -0.370 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC[C@H](C3OCCO3)C2)nn1 ZINC001595142101 952088135 /nfs/dbraw/zinc/08/81/35/952088135.db2.gz HDFNLBUDQKMGPG-VIFPVBQESA-N -1 0 310.310 -0.412 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC(NC(=O)C3CC3)CC2)nn1 ZINC001595142558 952092396 /nfs/dbraw/zinc/09/23/96/952092396.db2.gz NQBULWZLECAHNG-UHFFFAOYSA-N -1 0 321.337 -0.507 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)nn1 ZINC001595142522 952092495 /nfs/dbraw/zinc/09/24/95/952092495.db2.gz MPXYJJKYQSNKIN-VXNVDRBHSA-N -1 0 322.243 -0.110 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@@H]2CCCCS2(=O)=O)nn1 ZINC001595142909 952095136 /nfs/dbraw/zinc/09/51/36/952095136.db2.gz RUSGFLGFWUNSQL-QMMMGPOBSA-N -1 0 316.339 -0.940 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@H](CO)Cc2ccc(F)cc2)nn1 ZINC001595142885 952095292 /nfs/dbraw/zinc/09/52/92/952095292.db2.gz RFMRXEMPMBKVMI-NSHDSACASA-N -1 0 322.296 -0.165 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCCC(=O)N2CCCCCC2)nn1 ZINC001595142853 952095360 /nfs/dbraw/zinc/09/53/60/952095360.db2.gz QTWDNTDMYZGMAG-UHFFFAOYSA-N -1 0 323.353 -0.115 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@H](CCO)C2CCOCC2)nn1 ZINC001595142897 952095499 /nfs/dbraw/zinc/09/54/99/952095499.db2.gz RHUHEGRCTSMOHS-SNVBAGLBSA-N -1 0 312.326 -0.730 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCc2nc3c([nH]2)CCCC3)nn1 ZINC001595143851 952105808 /nfs/dbraw/zinc/10/58/08/952105808.db2.gz ZZAOKFPIIGKASM-UHFFFAOYSA-N -1 0 304.310 -0.105 20 0 DBADRM O=C([O-])Cn1cc(Cn2ccnc2CN2CCOCC2)nn1 ZINC001595145973 952112982 /nfs/dbraw/zinc/11/29/82/952112982.db2.gz PIACJLVEXGBMEK-UHFFFAOYSA-N -1 0 306.326 -0.560 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)c2cc3n(n2)CCO3)nn1 ZINC001595146730 952117863 /nfs/dbraw/zinc/11/78/63/952117863.db2.gz QEBBWJOLUOGLDE-UHFFFAOYSA-N -1 0 307.266 -0.649 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)c2cn(C[C@H]3CCOC3)nn2)cn1 ZINC001595147741 952122438 /nfs/dbraw/zinc/12/24/38/952122438.db2.gz DEBDLGYITWFDCT-SECBINFHSA-N -1 0 320.309 -0.152 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CCC[C@@H]3COC[C@@H]32)n1 ZINC001595147943 952123188 /nfs/dbraw/zinc/12/31/88/952123188.db2.gz LJRRZZMTQAIUTD-ZJUUUORDSA-N -1 0 322.321 -0.456 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCc2cccc(O)c2)n1 ZINC001595151141 952132336 /nfs/dbraw/zinc/13/23/36/952132336.db2.gz GUSSBTVUYKUTLU-UHFFFAOYSA-N -1 0 318.289 -0.072 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N[C@H](CO)[C@H]2CCCOC2)n1 ZINC001595152157 952142876 /nfs/dbraw/zinc/14/28/76/952142876.db2.gz NXNBMCAEDHUDJO-VHSXEESVSA-N -1 0 312.326 -0.123 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2Cc3cncnc3C2)c1=O ZINC001595153667 952152717 /nfs/dbraw/zinc/15/27/17/952152717.db2.gz DSRCMJWJXVSSRY-UHFFFAOYSA-N -1 0 300.274 -0.121 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCn3cncc3C2)c1=O ZINC001595154045 952154982 /nfs/dbraw/zinc/15/49/82/952154982.db2.gz IGGGFFLYXQSWIA-UHFFFAOYSA-N -1 0 302.290 -0.215 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)c1=O ZINC001595154778 952159232 /nfs/dbraw/zinc/15/92/32/952159232.db2.gz LBBQVPYLRBMDQA-SNVBAGLBSA-N -1 0 316.317 -0.057 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@H]2CCc3n[nH]cc3C2)c1=O ZINC001595154775 952159434 /nfs/dbraw/zinc/15/94/34/952159434.db2.gz LBBQVPYLRBMDQA-JTQLQIEISA-N -1 0 316.317 -0.057 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCC(=O)N2CCCC2)c1=O ZINC001595155111 952161267 /nfs/dbraw/zinc/16/12/67/952161267.db2.gz ORASKCLXDPHFPI-UHFFFAOYSA-N -1 0 307.306 -0.715 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)c1=O ZINC001595155574 952164007 /nfs/dbraw/zinc/16/40/07/952164007.db2.gz UJZXGAJCQXJKBA-SNVBAGLBSA-N -1 0 316.317 -0.057 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)[C@@H]2CNC(=O)c3ccccc32)n1 ZINC001595158280 952178434 /nfs/dbraw/zinc/17/84/34/952178434.db2.gz QDXBYXRLEZLUJM-SNVBAGLBSA-N -1 0 315.289 -0.172 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)OCC(=O)N2CCCC2)c1=O ZINC001595158251 952178657 /nfs/dbraw/zinc/17/86/57/952178657.db2.gz JPDASKXTZQXZEA-UHFFFAOYSA-N -1 0 308.290 -0.288 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)OCCO[C@@H]2CCOC2)c1=O ZINC001595158924 952185663 /nfs/dbraw/zinc/18/56/63/952185663.db2.gz ZMEUYEBYXWBLGI-SNVBAGLBSA-N -1 0 311.290 -0.105 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)c2cc(Cn3cccn3)on2)n1 ZINC001595160189 952190158 /nfs/dbraw/zinc/19/01/58/952190158.db2.gz GMVRWTQPXKAWOO-UHFFFAOYSA-N -1 0 317.265 -0.152 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)C1 ZINC001595162560 952200457 /nfs/dbraw/zinc/20/04/57/952200457.db2.gz JBYMHJNIKCMVQM-RKDXNWHRSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)CCN2C(=O)CCNC2=S)C1 ZINC001595164163 952202110 /nfs/dbraw/zinc/20/21/10/952202110.db2.gz UEKNBBAKIUIFQI-SECBINFHSA-N -1 0 313.379 -0.194 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)NCc2nnc3n2CCOC3)C1 ZINC001595164408 952202496 /nfs/dbraw/zinc/20/24/96/952202496.db2.gz PQVJZRHHLFUAIM-SECBINFHSA-N -1 0 309.326 -0.186 20 0 DBADRM O=C([O-])[C@@H]1CCCN(c2nnnn2CCO[C@H]2CCOC2)C1 ZINC001595164811 952205755 /nfs/dbraw/zinc/20/57/55/952205755.db2.gz BKXWHOJBCDEWQQ-MNOVXSKESA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCC(O)(COCCO)CC1 ZINC001595172269 952226863 /nfs/dbraw/zinc/22/68/63/952226863.db2.gz SJDYELTXWVGZRD-WDEREUQCSA-N -1 0 301.339 -0.540 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H]1C1CC1 ZINC001595185910 952265142 /nfs/dbraw/zinc/26/51/42/952265142.db2.gz DHSKDOSMOKNWGI-GARJFASQSA-N -1 0 316.379 -0.074 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)c2nc3ncc(CCO)cn3n2)C1 ZINC001595197078 952304488 /nfs/dbraw/zinc/30/44/88/952304488.db2.gz VVVCKPCVAXKUMM-JTQLQIEISA-N -1 0 319.321 -0.404 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1CC1=CCCOC1)C2 ZINC001595202749 952316734 /nfs/dbraw/zinc/31/67/34/952316734.db2.gz CVZZMBDWAYISIW-BXUZGUMPSA-N -1 0 321.337 -0.443 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1CCOCC1CC1)C2 ZINC001595202727 952317434 /nfs/dbraw/zinc/31/74/34/952317434.db2.gz BQUIYESMSGQNPX-BXUZGUMPSA-N -1 0 323.353 -0.363 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1[C@@H]1CCSC1)C2 ZINC001595203292 952320162 /nfs/dbraw/zinc/32/01/62/952320162.db2.gz UVEBIIGZWAYOEZ-KBVBSXBZSA-N -1 0 311.367 -0.112 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)[nH]n1 ZINC001595206694 952332001 /nfs/dbraw/zinc/33/20/01/952332001.db2.gz GMVHKTYKWIKNRU-NXEZZACHSA-N -1 0 308.294 -0.773 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000382568744 971823831 /nfs/dbraw/zinc/82/38/31/971823831.db2.gz PRCWVIHIHTVQCM-LLVKDONJSA-N -1 0 310.372 -0.985 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@](C)(OC)C(=O)[O-])[C@H](C)C1 ZINC001593354094 953353714 /nfs/dbraw/zinc/35/37/14/953353714.db2.gz RVULLCTZPSIHDG-SKDRFNHKSA-N -1 0 322.383 -0.642 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)C(=O)[O-])C1 ZINC001593354121 953353798 /nfs/dbraw/zinc/35/37/98/953353798.db2.gz VEYGLUUCNPTWSM-MRVPVSSYSA-N -1 0 307.324 -0.755 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)N[C@H](C)CC(=O)[O-])CC1 ZINC001593354292 953354841 /nfs/dbraw/zinc/35/48/41/953354841.db2.gz YZNABBNWAJMJRJ-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NC[C@@H](O)[C@H]1CCCO1 ZINC001594738176 953355197 /nfs/dbraw/zinc/35/51/97/953355197.db2.gz LFCUSVATMQXOAP-NXEZZACHSA-N -1 0 323.305 -0.626 20 0 DBADRM O=C([O-])c1cc(NC(=O)NC[C@H](O)Cn2ccnn2)ccn1 ZINC001594738238 953356038 /nfs/dbraw/zinc/35/60/38/953356038.db2.gz NVCFWNPWKLONPQ-VIFPVBQESA-N -1 0 306.282 -0.446 20 0 DBADRM CCS(=O)(=O)NCc1cn(-c2ccnc(C(=O)[O-])c2)nn1 ZINC001593355139 953356543 /nfs/dbraw/zinc/35/65/43/953356543.db2.gz KQTMOSRMTHLBDO-UHFFFAOYSA-N -1 0 311.323 -0.200 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC000402570465 953358192 /nfs/dbraw/zinc/35/81/92/953358192.db2.gz MMVSCTQEJWZVEO-WCBMZHEXSA-N -1 0 309.326 -0.547 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CCC1 ZINC001594738875 953359159 /nfs/dbraw/zinc/35/91/59/953359159.db2.gz FHTGVCONMONQTM-KKJSVHSVSA-N -1 0 322.361 -0.103 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CCn3ncnc3C2)CCOCC1 ZINC001594742273 953367332 /nfs/dbraw/zinc/36/73/32/953367332.db2.gz AOSPEVXIWQWMRY-UHFFFAOYSA-N -1 0 309.326 -0.315 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001593459709 953369531 /nfs/dbraw/zinc/36/95/31/953369531.db2.gz GPCPUYDQSNPMFC-FRGLDACASA-N -1 0 318.395 -0.560 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CCOCCO)C1 ZINC001589265836 953369738 /nfs/dbraw/zinc/36/97/38/953369738.db2.gz LVDADZIVBMLLHS-WDEREUQCSA-N -1 0 316.354 -0.977 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589265906 953371003 /nfs/dbraw/zinc/37/10/03/953371003.db2.gz MQYXJXWAGALSQD-MXWKQRLJSA-N -1 0 323.353 -0.648 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CCn3nncc3C2)CCOCC1 ZINC001594742683 953371396 /nfs/dbraw/zinc/37/13/96/953371396.db2.gz YLVUQHLXARYTSY-UHFFFAOYSA-N -1 0 309.326 -0.315 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)CCOCC1 ZINC001594743152 953373311 /nfs/dbraw/zinc/37/33/11/953373311.db2.gz TVHYYPJSXWMBSB-VIFPVBQESA-N -1 0 324.337 -0.456 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2nc[nH]n2)C1 ZINC001589266728 953375580 /nfs/dbraw/zinc/37/55/80/953375580.db2.gz VAWCUQFRYBBWDU-DTWKUNHWSA-N -1 0 309.326 -0.668 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2nccn2C)C1 ZINC001589266826 953376860 /nfs/dbraw/zinc/37/68/60/953376860.db2.gz XSJWXTOKEOEJKC-MNOVXSKESA-N -1 0 322.365 -0.052 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCN2CCCS2(=O)=O)C1 ZINC001589268733 953388988 /nfs/dbraw/zinc/38/89/88/953388988.db2.gz IXJRGWKROBZYKT-MNOVXSKESA-N -1 0 318.395 -0.019 20 0 DBADRM CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)cnc1C)C(=O)[O-] ZINC001593605100 953428948 /nfs/dbraw/zinc/42/89/48/953428948.db2.gz VCXMJKFBUJBVSE-SECBINFHSA-N -1 0 301.324 -0.370 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)NCCCn2cccn2)C1 ZINC001594758065 953479566 /nfs/dbraw/zinc/47/95/66/953479566.db2.gz ACWUTNRCVGUKER-NSHDSACASA-N -1 0 308.338 -0.287 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCCCc1nnc[nH]1)C2 ZINC001594758180 953482091 /nfs/dbraw/zinc/48/20/91/953482091.db2.gz HKTCWKMBJISMBX-ZANVPECISA-N -1 0 309.326 -0.520 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCN2CCC3(C2)OCCO3)cn1 ZINC001594758504 953487259 /nfs/dbraw/zinc/48/72/59/953487259.db2.gz UPYMIKWVYLMCLS-UHFFFAOYSA-N -1 0 321.333 -0.042 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCNC(=O)c2ccc(O)cc2)[nH]n1 ZINC001594758808 953493805 /nfs/dbraw/zinc/49/38/05/953493805.db2.gz IYZBDWIWHOOVKU-UHFFFAOYSA-N -1 0 318.289 -0.027 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCNC(=O)c2cnccn2)cn1 ZINC001594758973 953497078 /nfs/dbraw/zinc/49/70/78/953497078.db2.gz STLROBOOSXOBDS-UHFFFAOYSA-N -1 0 315.289 -0.270 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)NCCOCC(F)F)CC1 ZINC001594762763 953509665 /nfs/dbraw/zinc/50/96/65/953509665.db2.gz YSYMWTYFMVDAAS-UHFFFAOYSA-N -1 0 308.281 -0.293 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2ccc(O)cc2)CCO1 ZINC001594762953 953514206 /nfs/dbraw/zinc/51/42/06/953514206.db2.gz DRMNLZIYUJPKLU-GFCCVEGCSA-N -1 0 322.317 -0.637 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2cccc(O)c2)CCO1 ZINC001594763268 953520173 /nfs/dbraw/zinc/52/01/73/953520173.db2.gz UWZAHRWULGVPGA-LBPRGKRZSA-N -1 0 322.317 -0.637 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(Cn2nnc3c(cnn3C)c2=O)C1 ZINC001589282694 953537209 /nfs/dbraw/zinc/53/72/09/953537209.db2.gz WJHYLPFISNNDGQ-BDAKNGLRSA-N -1 0 306.326 -0.475 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nnc([C@H]3CNC(=O)C3)n2C)C1 ZINC001589285067 953555505 /nfs/dbraw/zinc/55/55/05/953555505.db2.gz SIBBMSWNYPUCAT-BBBLOLIVSA-N -1 0 307.354 -0.034 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nnnn2C[C@@H]2COCCO2)C1 ZINC001589285190 953558963 /nfs/dbraw/zinc/55/89/63/953558963.db2.gz SSLLLUBNUZOIER-GMTAPVOTSA-N -1 0 311.342 -0.365 20 0 DBADRM CCc1c[nH]c(=O)c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC001593627118 953559906 /nfs/dbraw/zinc/55/99/06/953559906.db2.gz GKZUVKWJONVEPQ-UHFFFAOYSA-N -1 0 307.306 -0.281 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1C[C@H](C)C[C@@H](CO)C1)C(=O)[O-] ZINC001589285763 953568332 /nfs/dbraw/zinc/56/83/32/953568332.db2.gz FZQRBINYEWYWEK-UTUOFQBUSA-N -1 0 314.382 -0.064 20 0 DBADRM C[C@H]1C[C@@H](CO)CN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001589286112 953573987 /nfs/dbraw/zinc/57/39/87/953573987.db2.gz NUQCAQSHGAXHNF-NWDGAFQWSA-N -1 0 318.370 -0.236 20 0 DBADRM CCc1cc(CC(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)n(C)n1 ZINC001593630478 953578683 /nfs/dbraw/zinc/57/86/83/953578683.db2.gz CTOXAYUAUARCCF-NSHDSACASA-N -1 0 309.322 -0.246 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001589288187 953582909 /nfs/dbraw/zinc/58/29/09/953582909.db2.gz BZAUQUVDSTUYNY-IUCAKERBSA-N -1 0 310.310 -0.410 20 0 DBADRM C[C@@H]1C[C@@H](CS(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)CCO1 ZINC001589290436 953596417 /nfs/dbraw/zinc/59/64/17/953596417.db2.gz UBEAOWPPNYUUEZ-SCVCMEIPSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NCc2cccnn2)c1 ZINC001594777408 953600317 /nfs/dbraw/zinc/60/03/17/953600317.db2.gz WLLMQMIQGIZNIS-UHFFFAOYSA-N -1 0 301.262 -0.175 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001594777903 953606510 /nfs/dbraw/zinc/60/65/10/953606510.db2.gz RIFFXCIXCKNYIJ-SFYZADRCSA-N -1 0 320.309 -0.530 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2cn(CC(=O)[O-])nn2)CCS1(=O)=O ZINC001589291749 953608849 /nfs/dbraw/zinc/60/88/49/953608849.db2.gz RWNQHRFCLAWZDZ-SFYZADRCSA-N -1 0 316.339 -0.942 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2cn(CC(=O)[O-])nn2)CCS1(=O)=O ZINC001589291748 953608991 /nfs/dbraw/zinc/60/89/91/953608991.db2.gz RWNQHRFCLAWZDZ-JGVFFNPUSA-N -1 0 316.339 -0.942 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[C@@]2(C(=O)[O-])CCCO2)CCS1(=O)=O ZINC001589292674 953618055 /nfs/dbraw/zinc/61/80/55/953618055.db2.gz HTSXBBSPDWXCTC-VDDIYKPWSA-N -1 0 305.352 -0.298 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C(=O)O1 ZINC001589294498 953633732 /nfs/dbraw/zinc/63/37/32/953633732.db2.gz XUCZHWHCCWPYIP-YUMQZZPRSA-N -1 0 319.335 -0.914 20 0 DBADRM C[C@@H]1C[C@]2(CCO1)CN(CC(=O)NCC(=O)[O-])C[C@H](C)O2 ZINC001589297169 953658746 /nfs/dbraw/zinc/65/87/46/953658746.db2.gz ZLRYDXNYMRXAEL-UHIISALHSA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@H]1CCC(=O)CN1C(=O)NCCOCCOCC(=O)[O-] ZINC001589298781 953673739 /nfs/dbraw/zinc/67/37/39/953673739.db2.gz FMSXPAPRZQHURT-JTQLQIEISA-N -1 0 302.327 -0.133 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC001589299055 953675990 /nfs/dbraw/zinc/67/59/90/953675990.db2.gz HFCVAKWYVVJKNM-NXEZZACHSA-N -1 0 311.338 -0.331 20 0 DBADRM C[C@@H]1CCC(=O)CN1C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589299045 953676354 /nfs/dbraw/zinc/67/63/54/953676354.db2.gz GYQGIJWQAYDQQF-SECBINFHSA-N -1 0 317.363 -0.154 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NC(=O)N2CCN(c3nccnn3)CC2)C1 ZINC001594795437 953713982 /nfs/dbraw/zinc/71/39/82/953713982.db2.gz RYAINIXXZIBNCG-MGCOHNPYSA-N -1 0 306.326 -0.434 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C)c1C(=O)[O-] ZINC000384710541 971953428 /nfs/dbraw/zinc/95/34/28/971953428.db2.gz DHZHHAHQIWNBMN-YUMQZZPRSA-N -1 0 303.340 -0.050 20 0 DBADRM CCc1noc(C)c1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001593655874 953749949 /nfs/dbraw/zinc/74/99/49/953749949.db2.gz RNLJVFBJMATJOI-VIFPVBQESA-N -1 0 316.335 -0.131 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)c(F)c1 ZINC001594803183 953759094 /nfs/dbraw/zinc/75/90/94/953759094.db2.gz VZJDLUJAFWWPSO-AOOOYVTPSA-N -1 0 312.253 -0.974 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C2=NN(CCO)C(=O)CC2)nc1 ZINC001594804695 953772559 /nfs/dbraw/zinc/77/25/59/953772559.db2.gz WRJFRNADQRXJCO-UHFFFAOYSA-N -1 0 306.278 -0.311 20 0 DBADRM CCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)[O-])c1=O ZINC001593659293 953781120 /nfs/dbraw/zinc/78/11/20/953781120.db2.gz YIATVPMDKYOFJE-UHFFFAOYSA-N -1 0 306.274 -0.189 20 0 DBADRM CCn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001593660244 953791225 /nfs/dbraw/zinc/79/12/25/953791225.db2.gz JIBUWCFBEMNVSV-DCAQKATOSA-N -1 0 309.370 -0.054 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2CCC(O)(CO)CC2)c1 ZINC001594807859 953791541 /nfs/dbraw/zinc/79/15/41/953791541.db2.gz DBZMLLGIJPNBMH-UHFFFAOYSA-N -1 0 322.317 -0.331 20 0 DBADRM C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589310778 953792350 /nfs/dbraw/zinc/79/23/50/953792350.db2.gz ZTMWGNOBCYFIAM-UTLUCORTSA-N -1 0 319.383 -0.634 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CS1(=O)=O ZINC001589311865 953794624 /nfs/dbraw/zinc/79/46/24/953794624.db2.gz COHUFMIBPFPTIQ-BKPPORCPSA-N -1 0 304.324 -0.702 20 0 DBADRM C[C@@H]1CC[C@@H](CNC(=O)NCCOCCOCC(=O)[O-])O1 ZINC001589312600 953803018 /nfs/dbraw/zinc/80/30/18/953803018.db2.gz ZQQWLJBDTVZOSS-MNOVXSKESA-N -1 0 304.343 -0.029 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCC[C@](O)(CO)C1 ZINC001594810888 953818855 /nfs/dbraw/zinc/81/88/55/953818855.db2.gz NKNCOFUQHWVGQB-OAHLLOKOSA-N -1 0 322.317 -0.331 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccc3nonc32)CCO1 ZINC001594810972 953819838 /nfs/dbraw/zinc/81/98/38/953819838.db2.gz DWSDADXNHOAMNE-SECBINFHSA-N -1 0 320.261 -0.527 20 0 DBADRM CCn1cc(CN(C)C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC001593664780 953821295 /nfs/dbraw/zinc/82/12/95/953821295.db2.gz AIRGVMMBGRBDMN-LLVKDONJSA-N -1 0 308.338 -0.206 20 0 DBADRM CCn1cc(C(=O)C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001593665058 953826912 /nfs/dbraw/zinc/82/69/12/953826912.db2.gz RDMTYCDENLFXMH-VIFPVBQESA-N -1 0 309.278 -0.686 20 0 DBADRM C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000384913735 971967525 /nfs/dbraw/zinc/96/75/25/971967525.db2.gz AHHLLRKMQZLILP-UWVGGRQHSA-N -1 0 317.367 -0.108 20 0 DBADRM CN(C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC001593674580 953905106 /nfs/dbraw/zinc/90/51/06/953905106.db2.gz VFBDTHZUDIDPDF-NHCYSSNCSA-N -1 0 309.366 -0.339 20 0 DBADRM O=C([O-])C(=O)CN1C(=O)NC2(CCC3(CC2)OCCO3)C1=O ZINC001594822659 953915369 /nfs/dbraw/zinc/91/53/69/953915369.db2.gz DUGMJBNQMUPTFK-UHFFFAOYSA-N -1 0 312.278 -0.752 20 0 DBADRM C[C@@H]1CCCN(C(=O)c2cnn(C[C@@H](O)CO)c2)[C@@H]1C(=O)[O-] ZINC001589328047 953928214 /nfs/dbraw/zinc/92/82/14/953928214.db2.gz MKJKSTMOMJMWCE-JLLWLGSASA-N -1 0 311.338 -0.438 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC001594825072 953933818 /nfs/dbraw/zinc/93/38/18/953933818.db2.gz AUYVNSFPYVLSLT-SECBINFHSA-N -1 0 306.322 -0.730 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2Cc3cccnc3C2)CC1 ZINC001594825272 953935478 /nfs/dbraw/zinc/93/54/78/953935478.db2.gz FUJKYFBIFUSYSF-LLVKDONJSA-N -1 0 303.318 -0.448 20 0 DBADRM CN(C(=O)C(=O)Nc1ccccc1C(=O)[O-])[C@@H]1CCNC1=O ZINC001593676843 953938078 /nfs/dbraw/zinc/93/80/78/953938078.db2.gz WUXRQXIEDJEREM-SNVBAGLBSA-N -1 0 305.290 -0.330 20 0 DBADRM CN(C(=O)C(=O)Nc1cncc(C(=O)[O-])c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001593676830 953938345 /nfs/dbraw/zinc/93/83/45/953938345.db2.gz WOBJBLJRRRZUSI-WKFQBHICSA-N -1 0 320.305 -0.559 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H](O)CCc2ccccc2)CC1 ZINC001594825950 953939488 /nfs/dbraw/zinc/93/94/88/953939488.db2.gz RFNCTAXOJBXZCQ-CYBMUJFWSA-N -1 0 320.345 -0.265 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3=O)CC1 ZINC001594826684 953943574 /nfs/dbraw/zinc/94/35/74/953943574.db2.gz HQXURDSPZXJDGM-UHFFFAOYSA-N -1 0 320.305 -0.771 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC001594827060 953945902 /nfs/dbraw/zinc/94/59/02/953945902.db2.gz XYVNHMXNNGXAQA-UHFFFAOYSA-N -1 0 302.237 -0.284 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)C[C@H]2C[C@@H](O)C2)C[C@H]1C(=O)[O-] ZINC001589332219 953949558 /nfs/dbraw/zinc/94/95/58/953949558.db2.gz DFXAKPSUDNTDFB-NNYUYHANSA-N -1 0 312.366 -0.215 20 0 DBADRM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)NCCC(=O)[O-])C1 ZINC001593680970 953952550 /nfs/dbraw/zinc/95/25/50/953952550.db2.gz DKXAPKZVCHPTOT-UWVGGRQHSA-N -1 0 313.354 -0.660 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ccnc3ccncc32)CC1 ZINC001594828315 953956794 /nfs/dbraw/zinc/95/67/94/953956794.db2.gz SWOYTDKYZYHEQT-UHFFFAOYSA-N -1 0 314.301 -0.001 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)O1 ZINC001593682070 953964825 /nfs/dbraw/zinc/96/48/25/953964825.db2.gz ONMATVUTJKNDQZ-GWOFURMSSA-N -1 0 313.354 -0.215 20 0 DBADRM C[C@@H]1CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C[C@@H]1O ZINC001589335170 953988103 /nfs/dbraw/zinc/98/81/03/953988103.db2.gz CPZARUUBKNVVQV-ZJUUUORDSA-N -1 0 319.379 -0.505 20 0 DBADRM C[C@H]1CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCO1 ZINC001589335246 953988759 /nfs/dbraw/zinc/98/87/59/953988759.db2.gz DCQKVCCRHYOOHY-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM CN(C)C(=O)NCCNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593686193 953989252 /nfs/dbraw/zinc/98/92/52/953989252.db2.gz CCYHEOOZTQUVRY-ZJUUUORDSA-N -1 0 301.343 -0.356 20 0 DBADRM C[C@H]1CCN(C(=O)CCN2CCCS2(=O)=O)C[C@@H]1C(=O)[O-] ZINC001589336295 953994821 /nfs/dbraw/zinc/99/48/21/953994821.db2.gz CEGVVLQAMLYVAT-QWRGUYRKSA-N -1 0 318.395 -0.019 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)c2cnc(C(=O)[O-])cn2)n1 ZINC001593687472 953997758 /nfs/dbraw/zinc/99/77/58/953997758.db2.gz PZSGLKWSNSTLMW-UHFFFAOYSA-N -1 0 319.281 -0.893 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001593687645 954001021 /nfs/dbraw/zinc/00/10/21/954001021.db2.gz XQYRVGWVPULGHT-QMTHXVAHSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(C)C(=O)CNC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001593688192 954002458 /nfs/dbraw/zinc/00/24/58/954002458.db2.gz AFRASKYKUIWWQZ-XIRUVYRFSA-N -1 0 313.354 -0.214 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001593688212 954002944 /nfs/dbraw/zinc/00/29/44/954002944.db2.gz BWHQOHRMLPCZBY-ZDUSSCGKSA-N -1 0 311.382 -0.234 20 0 DBADRM CN(C)C(=O)c1ccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])nc1 ZINC001593688733 954008153 /nfs/dbraw/zinc/00/81/53/954008153.db2.gz JNFOXSZRBLXLMY-CYBMUJFWSA-N -1 0 310.310 -0.260 20 0 DBADRM CN(C)C(=O)c1ccc(NC(=O)NC[C@](C)(O)C(=O)[O-])nc1 ZINC001593688734 954008839 /nfs/dbraw/zinc/00/88/39/954008839.db2.gz JNFOXSZRBLXLMY-ZDUSSCGKSA-N -1 0 310.310 -0.260 20 0 DBADRM O=C([O-])[C@H](C(=O)NCCc1nnc2c(=O)[nH]ccn12)C1CC1 ZINC001594833948 954012271 /nfs/dbraw/zinc/01/22/71/954012271.db2.gz MNUKDIHUJNAFJU-VIFPVBQESA-N -1 0 305.294 -0.813 20 0 DBADRM C[C@@H]1CCN(C(=S)NCCNS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC001589353563 954106280 /nfs/dbraw/zinc/10/62/80/954106280.db2.gz VHPGPBINEFIFEV-RKDXNWHRSA-N -1 0 323.440 -0.547 20 0 DBADRM O=C([O-])C1(C(=O)N(CCO)CCOCCO)CCCCC1 ZINC001594845245 954135322 /nfs/dbraw/zinc/13/53/22/954135322.db2.gz XATNACUTNIGGOJ-UHFFFAOYSA-N -1 0 303.355 -0.149 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001593703816 954143382 /nfs/dbraw/zinc/14/33/82/954143382.db2.gz HHSJTNRKXNGLHJ-RKDXNWHRSA-N -1 0 304.368 -0.363 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001593704128 954144665 /nfs/dbraw/zinc/14/46/65/954144665.db2.gz MNLQDFMYPRRXDK-UHFFFAOYSA-N -1 0 302.308 -0.080 20 0 DBADRM C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001589360545 954153135 /nfs/dbraw/zinc/15/31/35/954153135.db2.gz BZKUESLQMSANQD-SSDOTTSWSA-N -1 0 301.324 -0.243 20 0 DBADRM C[C@@H]1CCN(c2nnnn2CCN2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001589360793 954154149 /nfs/dbraw/zinc/15/41/49/954154149.db2.gz DVQZOIDGEBMVLN-NEPJUHHUSA-N -1 0 324.385 -0.448 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)NC[C@](C)(O)C(=O)[O-])co1 ZINC001593707909 954156029 /nfs/dbraw/zinc/15/60/29/954156029.db2.gz CMNJSSJWTARGMJ-NSHDSACASA-N -1 0 320.323 -0.905 20 0 DBADRM O=C([O-])C1(C(=O)N2CCO[C@H](Cn3ccnn3)C2)CCOCC1 ZINC001594848776 954162421 /nfs/dbraw/zinc/16/24/21/954162421.db2.gz ARWRPDLAZKEQGA-NSHDSACASA-N -1 0 324.337 -0.613 20 0 DBADRM C[C@@H]1CCS(=O)(=O)CCN1CN1C[C@@H](C(=O)[O-])CC1=O ZINC001589362922 954164367 /nfs/dbraw/zinc/16/43/67/954164367.db2.gz UCXDSJKDIUSNND-ZJUUUORDSA-N -1 0 304.368 -0.614 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN(CC(=O)[O-])C1CCC1 ZINC001593708652 954165312 /nfs/dbraw/zinc/16/53/12/954165312.db2.gz RRAIWXIJHAQKMQ-UHFFFAOYSA-N -1 0 316.383 -0.023 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)CCCO1 ZINC001594849603 954169860 /nfs/dbraw/zinc/16/98/60/954169860.db2.gz CPBYBAYJOYNFAW-RISCZKNCSA-N -1 0 324.337 -0.432 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC001593709373 954177250 /nfs/dbraw/zinc/17/72/50/954177250.db2.gz QOZBJBLBRCCFFQ-DCXZOGHSSA-N -1 0 313.401 -0.255 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N(CCO)CCCO)c1 ZINC000385271939 971992084 /nfs/dbraw/zinc/99/20/84/971992084.db2.gz QSSUGVUAQMHHOG-UHFFFAOYSA-N -1 0 303.336 -0.250 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CCn3nnc(CO)c3C2)CC=CCC1 ZINC001594850773 954183353 /nfs/dbraw/zinc/18/33/53/954183353.db2.gz YXMFDDXDHWRZFC-CQSZACIVSA-N -1 0 306.322 -0.076 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC[C@@H](CO)C2)CCS(=O)(=O)CC1 ZINC001594850842 954184397 /nfs/dbraw/zinc/18/43/97/954184397.db2.gz QAVGROIQBCTUBL-SNVBAGLBSA-N -1 0 319.379 -0.503 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CCN(Cc3ccno3)CC2)CCCO1 ZINC001594851238 954191126 /nfs/dbraw/zinc/19/11/26/954191126.db2.gz IHLREUYKAKGYMJ-AWEZNQCLSA-N -1 0 309.322 -0.047 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1)C(=O)[O-] ZINC001589365786 954191143 /nfs/dbraw/zinc/19/11/43/954191143.db2.gz WARAGWJYSWAUIR-RULNRJAQSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CC(=O)N1 ZINC001589365981 954193279 /nfs/dbraw/zinc/19/32/79/954193279.db2.gz DJCLDDNWQPNGRH-SSDOTTSWSA-N -1 0 306.278 -0.935 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@H](C)[C@H]1O ZINC001589366359 954199006 /nfs/dbraw/zinc/19/90/06/954199006.db2.gz MJLJEDDRKOAYEL-GDGBQDQQSA-N -1 0 324.337 -0.619 20 0 DBADRM O=C([O-])C1(C(=O)N[C@H](CO)CCF)CCS(=O)(=O)CC1 ZINC001594851736 954199223 /nfs/dbraw/zinc/19/92/23/954199223.db2.gz GLCCVWCSNGCBMH-QMMMGPOBSA-N -1 0 311.331 -0.897 20 0 DBADRM O=C([O-])c1ccc(F)cc1S(=O)(=O)N(CCO)CCCO ZINC000385306436 971994186 /nfs/dbraw/zinc/99/41/86/971994186.db2.gz RRKGFHFJSBORIN-UHFFFAOYSA-N -1 0 321.326 -0.111 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CC[C@@H]1O ZINC001589366709 954202119 /nfs/dbraw/zinc/20/21/19/954202119.db2.gz QORHHDFWUZCVQM-KWQFWETISA-N -1 0 307.306 -0.052 20 0 DBADRM CN(C)c1cccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC001593714854 954204127 /nfs/dbraw/zinc/20/41/27/954204127.db2.gz SDYZOCMFUYTTTF-JTQLQIEISA-N -1 0 320.349 -0.303 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)c2ccc(C(=O)[O-])cn2)n1 ZINC001593714977 954204904 /nfs/dbraw/zinc/20/49/04/954204904.db2.gz BCBKBONEGDOFSG-UHFFFAOYSA-N -1 0 318.293 -0.030 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])CC(C)(C)O1 ZINC001589367327 954205539 /nfs/dbraw/zinc/20/55/39/954205539.db2.gz VFCYBWONRXEXHL-VIFPVBQESA-N -1 0 302.327 -0.770 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)OC(C)(C)C)CCN1C(=O)C(=O)[O-] ZINC001589367807 954208795 /nfs/dbraw/zinc/20/87/95/954208795.db2.gz ZUXCUXJOLLHYFI-QMMMGPOBSA-N -1 0 300.311 -0.528 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@]2(CO)COCCN2)CCCCCC1 ZINC001594856018 954234336 /nfs/dbraw/zinc/23/43/36/954234336.db2.gz FHWKELILJNOCBZ-CQSZACIVSA-N -1 0 314.382 -0.121 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@]2(OCCO)CCOC2)CCOCC1 ZINC001594856088 954235363 /nfs/dbraw/zinc/23/53/63/954235363.db2.gz HVQQDPCRVXUAKF-CYBMUJFWSA-N -1 0 317.338 -0.848 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)c2cnc(C(=O)[O-])cn2)CCO1 ZINC001589375256 954247621 /nfs/dbraw/zinc/24/76/21/954247621.db2.gz LSUITLWMXCXZHN-MRVPVSSYSA-N -1 0 309.278 -0.421 20 0 DBADRM C[C@H]1CN(C(=O)COC(=O)c2cnc(C(=O)[O-])cn2)CCO1 ZINC001589375262 954249578 /nfs/dbraw/zinc/24/95/78/954249578.db2.gz LSUITLWMXCXZHN-QMMMGPOBSA-N -1 0 309.278 -0.421 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)CC=CC1 ZINC001594857360 954251423 /nfs/dbraw/zinc/25/14/23/954251423.db2.gz YNEQTJDVLQOQJQ-NSHDSACASA-N -1 0 303.336 -0.927 20 0 DBADRM CN(CC(=O)[O-])Cc1cn(CCNC(=O)C(F)(F)F)nn1 ZINC001593722350 954258881 /nfs/dbraw/zinc/25/88/81/954258881.db2.gz CFYHTSRGDOFKGB-UHFFFAOYSA-N -1 0 309.248 -0.527 20 0 DBADRM C[C@@H]1CN(C(=O)NCC(=O)N=S(C)(C)=O)CC[C@@H]1C(=O)[O-] ZINC001589376843 954265188 /nfs/dbraw/zinc/26/51/88/954265188.db2.gz HGOFIKPYASHVPQ-BDAKNGLRSA-N -1 0 319.383 -0.007 20 0 DBADRM CN(CC(C)(C)CO)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593724070 954268319 /nfs/dbraw/zinc/26/83/19/954268319.db2.gz KEXIGUFQHIIBJH-JTQLQIEISA-N -1 0 300.355 -0.214 20 0 DBADRM O=C([O-])C1(C(=O)NCC[C@H]2CCCO2)CCS(=O)(=O)CC1 ZINC001594862094 954281765 /nfs/dbraw/zinc/28/17/65/954281765.db2.gz IRTYGKLWVOQQGW-SNVBAGLBSA-N -1 0 319.379 -0.049 20 0 DBADRM CN(CC1(CO)CC1)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001593727431 954288939 /nfs/dbraw/zinc/28/89/39/954288939.db2.gz YXFMZKFHBYDBDN-NSHDSACASA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])[C@]1(C(=O)NCc2ccc(-n3cncn3)nc2)CCCO1 ZINC001594862854 954290606 /nfs/dbraw/zinc/29/06/06/954290606.db2.gz PCBYSARVDXTKAG-CQSZACIVSA-N -1 0 317.305 -0.088 20 0 DBADRM O=C([O-])C1(C(=O)NCc2ccncn2)CCS(=O)(=O)CC1 ZINC001594863451 954299621 /nfs/dbraw/zinc/29/96/21/954299621.db2.gz JINGACORLRZIPI-UHFFFAOYSA-N -1 0 313.335 -0.628 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@H]2CCC[C@@H]2O)CCS(=O)(=O)CC1 ZINC001594863570 954300325 /nfs/dbraw/zinc/30/03/25/954300325.db2.gz KVOBJUGRTUEOKK-ZJUUUORDSA-N -1 0 319.379 -0.457 20 0 DBADRM O=C([O-])C1(C(=O)NCCn2cccc2)CCS(=O)(=O)CC1 ZINC001594864027 954307277 /nfs/dbraw/zinc/30/72/77/954307277.db2.gz VDZWSMCMBISGNH-UHFFFAOYSA-N -1 0 314.363 -0.116 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCCS(=O)(=O)C(C)(C)C ZINC001593731354 954319419 /nfs/dbraw/zinc/31/94/19/954319419.db2.gz LQYYDVUPPCVYGZ-UHFFFAOYSA-N -1 0 322.383 -0.751 20 0 DBADRM Cc1ncn(C)c1C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485317422 1013122243 /nfs/dbraw/zinc/12/22/43/1013122243.db2.gz UYHHOGWLWWTBMN-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM CN(CCC(N)=O)C(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001593742101 954358037 /nfs/dbraw/zinc/35/80/37/954358037.db2.gz RDCYQBBWSOXQEL-JTQLQIEISA-N -1 0 313.354 -0.576 20 0 DBADRM C[C@H]1CN([C@@H]2CCN(CC(=O)[O-])C2=O)CCN1c1cnccn1 ZINC001589395609 954365497 /nfs/dbraw/zinc/36/54/97/954365497.db2.gz LHPZMNKCWPNNTE-NWDGAFQWSA-N -1 0 319.365 -0.327 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001593744184 954371600 /nfs/dbraw/zinc/37/16/00/954371600.db2.gz GYZCWBOLOMEGJZ-UHFFFAOYSA-N -1 0 312.326 -0.155 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001593746166 954388060 /nfs/dbraw/zinc/38/80/60/954388060.db2.gz ODYFIYUWDMZSAL-UHFFFAOYSA-N -1 0 320.349 -0.045 20 0 DBADRM CN(CCCO)C(=O)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001593750239 954396119 /nfs/dbraw/zinc/39/61/19/954396119.db2.gz BCBUCHXFNQCYHC-MRXNPFEDSA-N -1 0 322.361 -0.014 20 0 DBADRM CN(CCCO)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001593750427 954399868 /nfs/dbraw/zinc/39/98/68/954399868.db2.gz QHZVNBBPIVACIG-UHFFFAOYSA-N -1 0 300.355 -0.069 20 0 DBADRM C[C@@H]1OCC[C@@]12CN(CCS(=O)(=O)CC(=O)[O-])C[C@@H](C)O2 ZINC001589399340 954401332 /nfs/dbraw/zinc/40/13/32/954401332.db2.gz CWFFQJQXCMXFMT-NTZNESFSSA-N -1 0 321.395 -0.246 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593750955 954408195 /nfs/dbraw/zinc/40/81/95/954408195.db2.gz MQNXTNWQCQWMBO-UWVGGRQHSA-N -1 0 322.383 -0.736 20 0 DBADRM CN(CCOc1ccccc1C(=O)[O-])CCS(N)(=O)=O ZINC001593754627 954441050 /nfs/dbraw/zinc/44/10/50/954441050.db2.gz RSJBOQGOPRVQON-UHFFFAOYSA-N -1 0 302.352 -0.016 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)Cc2noc(C3CC3)n2)CCOC1 ZINC001594883480 954448357 /nfs/dbraw/zinc/44/83/57/954448357.db2.gz TXTYAFRKXQVTQW-NSHDSACASA-N -1 0 317.323 -0.390 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001593755623 954450679 /nfs/dbraw/zinc/45/06/79/954450679.db2.gz PTWXKJULJLNWJS-UHFFFAOYSA-N -1 0 315.351 -0.185 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCC(N3CN=NC3=O)CC2)C1 ZINC001594886555 954469937 /nfs/dbraw/zinc/46/99/37/954469937.db2.gz ZPLXEVFDCYFWPS-VIFPVBQESA-N -1 0 309.282 -0.623 20 0 DBADRM CC[C@H]1[C@H](CO)CCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000385820901 972016269 /nfs/dbraw/zinc/01/62/69/972016269.db2.gz ROUGVZWBOWUTIE-ONGXEEELSA-N -1 0 317.367 -0.251 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(C(=O)[O-])nn1C ZINC001589408276 954485513 /nfs/dbraw/zinc/48/55/13/954485513.db2.gz CIDIEHJMXZYOIL-SSDOTTSWSA-N -1 0 301.324 -0.623 20 0 DBADRM CN(Cc1cccc(C(N)=O)c1)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001593760975 954491831 /nfs/dbraw/zinc/49/18/31/954491831.db2.gz FWYBRYFMJZXKGS-UHFFFAOYSA-N -1 0 317.305 -0.266 20 0 DBADRM C[C@H]1COCC[C@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589408720 954493582 /nfs/dbraw/zinc/49/35/82/954493582.db2.gz MTCUMWJFYIUXDZ-DTWKUNHWSA-N -1 0 310.310 -0.553 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)Nc2n[nH]cc2C(=O)NC2CC2)C1 ZINC001594889013 954495883 /nfs/dbraw/zinc/49/58/83/954495883.db2.gz IIDXWJSDZUYXRX-MRVPVSSYSA-N -1 0 307.266 -0.530 20 0 DBADRM CN(Cc1nncn1C)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593764804 954506349 /nfs/dbraw/zinc/50/63/49/954506349.db2.gz FDVBEYJTZVSDMT-UHFFFAOYSA-N -1 0 305.294 -0.666 20 0 DBADRM CN(Cc1ncccn1)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593764979 954507460 /nfs/dbraw/zinc/50/74/60/954507460.db2.gz KDZYTCFHHPVXPZ-UHFFFAOYSA-N -1 0 302.290 -0.005 20 0 DBADRM CN(Cc1nncn1C)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001593765087 954510024 /nfs/dbraw/zinc/51/00/24/954510024.db2.gz ISWGFMMZROUZCR-UHFFFAOYSA-N -1 0 323.353 -0.513 20 0 DBADRM CN(Cc1ncnn1CC(F)F)CN1C[C@@H](C(=O)[O-])CC1=O ZINC001593765605 954515596 /nfs/dbraw/zinc/51/55/96/954515596.db2.gz XKJBEMPYLMBNBN-QMMMGPOBSA-N -1 0 317.296 -0.134 20 0 DBADRM C[C@H]1N(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCOC1(C)C ZINC001589412378 954528163 /nfs/dbraw/zinc/52/81/63/954528163.db2.gz HIZVROSBYLXNCB-ZJUUUORDSA-N -1 0 314.338 -0.676 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1=O ZINC001593767223 954530589 /nfs/dbraw/zinc/53/05/89/954530589.db2.gz SGBBQHHUNXKSBO-AXFHLTTASA-N -1 0 323.349 -0.114 20 0 DBADRM C[C@@H]1NC(C(=O)N2CC(C(=O)[O-])C2)=NN(c2ccccc2)C1=O ZINC001589412652 954530774 /nfs/dbraw/zinc/53/07/74/954530774.db2.gz HYAFJSQJVPOGTL-VIFPVBQESA-N -1 0 316.317 -0.132 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCn3c(nnc3C(F)F)C2)C1 ZINC001594891704 954535652 /nfs/dbraw/zinc/53/56/52/954535652.db2.gz PDWVOLYVEMOEEB-ZCFIWIBFSA-N -1 0 315.236 -0.213 20 0 DBADRM C[C@H]1NC(C(=O)N(C)CC(=O)[O-])=NN(c2ccccc2)C1=O ZINC001589413165 954535642 /nfs/dbraw/zinc/53/56/42/954535642.db2.gz QSBADZFGMLZITP-SECBINFHSA-N -1 0 304.306 -0.132 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C(C)(C)C(=O)[O-])C1=O ZINC001593771635 954542067 /nfs/dbraw/zinc/54/20/67/954542067.db2.gz FXMPHNFZALYJBH-RTHLEPHNSA-N -1 0 311.338 -0.066 20 0 DBADRM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)C2(C(=O)[O-])CC2)C1=O ZINC001593771811 954543294 /nfs/dbraw/zinc/54/32/94/954543294.db2.gz JVWQCYQJZYHXGU-RMLUDKJBSA-N -1 0 309.322 -0.312 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)C1 ZINC001594892500 954547021 /nfs/dbraw/zinc/54/70/21/954547021.db2.gz RYOXTIZQEQUDGE-UISBYWKRSA-N -1 0 310.306 -0.188 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001589415634 954547989 /nfs/dbraw/zinc/54/79/89/954547989.db2.gz KBIBKFCBQONQIL-IINYFYTJSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC001594893656 954553211 /nfs/dbraw/zinc/55/32/11/954553211.db2.gz VZBRJEYKQWFYQR-JQWIXIFHSA-N -1 0 311.338 -0.461 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCOC[C@H]2C[C@H]2CCOC2)C1 ZINC001594893681 954554145 /nfs/dbraw/zinc/55/41/45/954554145.db2.gz WGDITCVOBBJVOQ-FOGDFJRCSA-N -1 0 312.322 -0.130 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589416789 954556976 /nfs/dbraw/zinc/55/69/76/954556976.db2.gz QTARMWHVSRFMSS-XPTSAGLGSA-N -1 0 310.306 -0.797 20 0 DBADRM CN1C[C@@H](O)C[C@H]1c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1C ZINC001593773489 954563336 /nfs/dbraw/zinc/56/33/36/954563336.db2.gz GQZNWYGUOUGLDZ-VWYCJHECSA-N -1 0 309.370 -0.146 20 0 DBADRM C[C@H]1c2nncn2CCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001589417367 954566348 /nfs/dbraw/zinc/56/63/48/954566348.db2.gz JLTZCFQTTIIYLQ-IUCAKERBSA-N -1 0 307.310 -0.886 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2)C1=O ZINC001593774084 954577007 /nfs/dbraw/zinc/57/70/07/954577007.db2.gz MLQTTYDHBJXQEL-RKDXNWHRSA-N -1 0 309.322 -0.360 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589418334 954578129 /nfs/dbraw/zinc/57/81/29/954578129.db2.gz YPYAQAVMDBSTBP-SREGZZRCSA-N -1 0 324.337 -0.166 20 0 DBADRM CN1CC[C@H](C(=O)OCC2(C(=O)[O-])CCOCC2)S1(=O)=O ZINC001593774823 954591956 /nfs/dbraw/zinc/59/19/56/954591956.db2.gz UZZZSKPWCHCKEE-SECBINFHSA-N -1 0 321.351 -0.555 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(c3nnnn3C3CC3)CC2)C1 ZINC001594898587 954592945 /nfs/dbraw/zinc/59/29/45/954592945.db2.gz NQONYZPPWNAYEM-VIFPVBQESA-N -1 0 320.353 -0.090 20 0 DBADRM CN1CC[C@@H](CNC(=O)c2cccn(CC(=O)[O-])c2=O)CC1=O ZINC001593775268 954600193 /nfs/dbraw/zinc/60/01/93/954600193.db2.gz GCXZIEHFIITVTB-SNVBAGLBSA-N -1 0 321.333 -0.469 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485322397 1013126066 /nfs/dbraw/zinc/12/60/66/1013126066.db2.gz ASPZCPHTGNCWCH-QMMMGPOBSA-N -1 0 319.369 -0.028 20 0 DBADRM CN1CCC[C@@H]1CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593780243 954643367 /nfs/dbraw/zinc/64/33/67/954643367.db2.gz VYCMEWXIZODQTI-SNVBAGLBSA-N -1 0 318.395 -0.524 20 0 DBADRM CN1CCC[C@H](NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1=O ZINC001593780783 954657057 /nfs/dbraw/zinc/65/70/57/954657057.db2.gz LFTYBFBDXGZJKO-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([O-])CN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000386112620 972031248 /nfs/dbraw/zinc/03/12/48/972031248.db2.gz QSTXVSQVHXDDEB-UHFFFAOYSA-N -1 0 324.362 -0.046 20 0 DBADRM CN1CCN(C(=O)CNC(=O)Nc2ccnc(C(=O)[O-])c2)CC1 ZINC001593781614 954674570 /nfs/dbraw/zinc/67/45/70/954674570.db2.gz UNCQTOBTEWVYFG-UHFFFAOYSA-N -1 0 321.337 -0.325 20 0 DBADRM CN1CCN(S(=O)(=O)N2CCCC[C@@H]2CC(=O)[O-])CC1 ZINC001593785011 954690322 /nfs/dbraw/zinc/69/03/22/954690322.db2.gz WCZCFUZBTQIBBV-LLVKDONJSA-N -1 0 305.400 -0.192 20 0 DBADRM CN1CCO[C@H](C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001593786722 954706651 /nfs/dbraw/zinc/70/66/51/954706651.db2.gz DMOZYSOITPXTDJ-WVIDZAQPSA-N -1 0 312.366 -0.154 20 0 DBADRM CN1CCn2nc(NC(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)cc2C1 ZINC001593786777 954708642 /nfs/dbraw/zinc/70/86/42/954708642.db2.gz MVRNIWQLYUZPAO-VIFPVBQESA-N -1 0 321.337 -0.800 20 0 DBADRM CN1CCn2ncc(C(=O)NC(C)(C)C(=O)[O-])c2S1(=O)=O ZINC001593787091 954715576 /nfs/dbraw/zinc/71/55/76/954715576.db2.gz ZUTDSUUFPQHGLI-UHFFFAOYSA-N -1 0 316.339 -0.890 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC001593787393 954723196 /nfs/dbraw/zinc/72/31/96/954723196.db2.gz GMFKTQWOORHZAG-WDEREUQCSA-N -1 0 306.384 -0.557 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC001593787392 954723629 /nfs/dbraw/zinc/72/36/29/954723629.db2.gz GMFKTQWOORHZAG-QWRGUYRKSA-N -1 0 306.384 -0.557 20 0 DBADRM CN1CCOC[C@@]1(CO)CNC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001593787579 954727239 /nfs/dbraw/zinc/72/72/39/954727239.db2.gz PVPDVMLLKQVRCD-AWEZNQCLSA-N -1 0 324.337 -0.406 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)C1 ZINC001594914969 954737584 /nfs/dbraw/zinc/73/75/84/954737584.db2.gz BXEGFGUVQLDYPI-UTUOFQBUSA-N -1 0 310.350 -0.196 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)Cn1cc(S(=O)(=O)N(C)C)cn1 ZINC001589443613 954737971 /nfs/dbraw/zinc/73/79/71/954737971.db2.gz LPZLUHVKPIYXBS-SNVBAGLBSA-N -1 0 304.372 -0.114 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCC(CCCO)CC2)C1 ZINC001594915533 954745445 /nfs/dbraw/zinc/74/54/45/954745445.db2.gz DNHRAZSLZQHYMX-GFCCVEGCSA-N -1 0 312.366 -0.069 20 0 DBADRM CNC(=O)[C@H](NC(=O)COC(=O)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001593789257 954751160 /nfs/dbraw/zinc/75/11/60/954751160.db2.gz RRCGZYFIAXJPSI-BXKDBHETSA-N -1 0 322.317 -0.146 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCC3(C2)CCOCC3)C1 ZINC001594915908 954751466 /nfs/dbraw/zinc/75/14/66/954751466.db2.gz HVADBVJSTBYEBY-LLVKDONJSA-N -1 0 310.350 -0.051 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC(F)(F)C[C@H]2CO)C1 ZINC001594916642 954760181 /nfs/dbraw/zinc/76/01/81/954760181.db2.gz ORPPRSSXHLUMRW-SFYZADRCSA-N -1 0 306.265 -0.852 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CCO1 ZINC001593792014 954764308 /nfs/dbraw/zinc/76/43/08/954764308.db2.gz PXZOBJRUYKLBBL-VWYCJHECSA-N -1 0 314.338 -0.770 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CCO1 ZINC001593792010 954764501 /nfs/dbraw/zinc/76/45/01/954764501.db2.gz PXZOBJRUYKLBBL-AXFHLTTASA-N -1 0 314.338 -0.770 20 0 DBADRM O=C([O-])[C@H]1CCCN1Cc1cn(CCN2CCCC2=O)nn1 ZINC001594917306 954768791 /nfs/dbraw/zinc/76/87/91/954768791.db2.gz QZQBGCQYQFGPIC-GFCCVEGCSA-N -1 0 307.354 -0.051 20 0 DBADRM CNC(=O)CNC(=O)c1cccc(NC(=O)[C@@H](OC)C(=O)[O-])c1 ZINC001593792931 954771766 /nfs/dbraw/zinc/77/17/66/954771766.db2.gz CBQWVKPUZWPNKR-LLVKDONJSA-N -1 0 323.305 -0.800 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@]23CCOC3=O)C1 ZINC001594917613 954772095 /nfs/dbraw/zinc/77/20/95/954772095.db2.gz UVCMBDXRKOUUDZ-OTYXRUKQSA-N -1 0 310.306 -0.772 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001593793045 954774710 /nfs/dbraw/zinc/77/47/10/954774710.db2.gz IWSCVRAEMNLOSD-QMMMGPOBSA-N -1 0 307.306 -0.497 20 0 DBADRM CNC(=O)CNC(=O)c1cccc(NC(=O)[C@H](C)C(=O)[O-])c1 ZINC001593793173 954776795 /nfs/dbraw/zinc/77/67/95/954776795.db2.gz IUHKNCJCSJCIQT-QMMMGPOBSA-N -1 0 307.306 -0.178 20 0 DBADRM CC[C@H]1[C@@H](CO)CCN1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000386267477 972040720 /nfs/dbraw/zinc/04/07/20/972040720.db2.gz LONWKPSFYJUFLK-KOLCDFICSA-N -1 0 311.342 -0.221 20 0 DBADRM CC[C@@H]1[C@@H](CO)CCN1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000386267479 972040792 /nfs/dbraw/zinc/04/07/92/972040792.db2.gz LONWKPSFYJUFLK-MWLCHTKSSA-N -1 0 311.342 -0.221 20 0 DBADRM CNC(=O)Oc1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1 ZINC001593793545 954783723 /nfs/dbraw/zinc/78/37/23/954783723.db2.gz SJIFXGVBLQRDDE-UHFFFAOYSA-N -1 0 309.278 -0.066 20 0 DBADRM CNC(=O)CNC(=O)c1cccc(NC(=O)COCC(=O)[O-])c1 ZINC001593793657 954784683 /nfs/dbraw/zinc/78/46/83/954784683.db2.gz TZLGKHUAWNWFHE-UHFFFAOYSA-N -1 0 323.305 -0.798 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1(CC(=O)[O-])CCC1 ZINC001593794579 954797350 /nfs/dbraw/zinc/79/73/50/954797350.db2.gz OQYSESDIFBSOSI-JTQLQIEISA-N -1 0 308.338 -0.172 20 0 DBADRM CNC(=O)NC[C@H]1CCCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001593795079 954803515 /nfs/dbraw/zinc/80/35/15/954803515.db2.gz NICIVFYCQFFVMH-MNOVXSKESA-N -1 0 312.370 -0.545 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001593795020 954803644 /nfs/dbraw/zinc/80/36/44/954803644.db2.gz LEOZFGXTMLBLOB-AEJSXWLSSA-N -1 0 314.342 -0.811 20 0 DBADRM CNC(=O)NC[C@H]1CCCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001593795077 954803695 /nfs/dbraw/zinc/80/36/95/954803695.db2.gz NICIVFYCQFFVMH-GHMZBOCLSA-N -1 0 312.370 -0.545 20 0 DBADRM CC[C@@](C)(O)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589451767 954805342 /nfs/dbraw/zinc/80/53/42/954805342.db2.gz UBPIRZMASJCUNX-LLVKDONJSA-N -1 0 307.368 -0.457 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593795411 954806104 /nfs/dbraw/zinc/80/61/04/954806104.db2.gz VCWHRXVKXDSJKL-OPRDCNLKSA-N -1 0 314.342 -0.811 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CCO1 ZINC001593795560 954807542 /nfs/dbraw/zinc/80/75/42/954807542.db2.gz XPMXUNIUVHUPJC-ZJUUUORDSA-N -1 0 315.370 -0.110 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)C1(C(=O)[O-])CCSCC1 ZINC001593795435 954808097 /nfs/dbraw/zinc/80/80/97/954808097.db2.gz WNKXMXQDABKDKE-ZETCQYMHSA-N -1 0 318.351 -0.028 20 0 DBADRM CNC(=O)c1ccc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1 ZINC001593796860 954812309 /nfs/dbraw/zinc/81/23/09/954812309.db2.gz NEXDGENBGVCZNV-NSHDSACASA-N -1 0 305.290 -0.108 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001593797300 954818034 /nfs/dbraw/zinc/81/80/34/954818034.db2.gz GGLZITUXMRGVRB-BXKDBHETSA-N -1 0 320.367 -0.840 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)NCC1(C(=O)[O-])CCC1 ZINC001593798111 954827923 /nfs/dbraw/zinc/82/79/23/954827923.db2.gz KICAOMXEMXKHIJ-UHFFFAOYSA-N -1 0 307.372 -0.520 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001593798203 954829736 /nfs/dbraw/zinc/82/97/36/954829736.db2.gz OBDDHYBCPWXURG-SKDRFNHKSA-N -1 0 320.367 -0.840 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC001593798291 954831346 /nfs/dbraw/zinc/83/13/46/954831346.db2.gz RTTMTVYCGOTDTA-ZJUUUORDSA-N -1 0 304.368 -0.363 20 0 DBADRM CNC(=O)c1cccc(C(=O)Nc2ncn(CC(=O)[O-])n2)n1 ZINC001593798591 954835525 /nfs/dbraw/zinc/83/55/25/954835525.db2.gz IMDITNPDIZULRQ-UHFFFAOYSA-N -1 0 304.266 -0.630 20 0 DBADRM CC(C)n1cc(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])nn1 ZINC000386346418 972046306 /nfs/dbraw/zinc/04/63/06/972046306.db2.gz KUFIFMUGFHLYAT-NSHDSACASA-N -1 0 316.383 -0.067 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(OC)[C@@H](C)C(=O)[O-])cn1 ZINC001593799168 954845075 /nfs/dbraw/zinc/84/50/75/954845075.db2.gz RNUYMFZQJVRWGA-ZETCQYMHSA-N -1 0 317.323 -0.534 20 0 DBADRM CNS(=O)(=O)c1ccc(NC(=O)[C@@H](OC)C(=O)[O-])cc1 ZINC001593801343 954850712 /nfs/dbraw/zinc/85/07/12/954850712.db2.gz NUPOQZJWJUGQPR-SECBINFHSA-N -1 0 302.308 -0.367 20 0 DBADRM CNS(=O)(=O)c1ccc(CN2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC001593802276 954858006 /nfs/dbraw/zinc/85/80/06/954858006.db2.gz WMVVCLXHZSFFFT-GFCCVEGCSA-N -1 0 314.363 -0.120 20 0 DBADRM COC(=O)[C@](C)(CO)NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001593804089 954878557 /nfs/dbraw/zinc/87/85/57/954878557.db2.gz KIHFJSNABSOTNM-KKFJDGPESA-N -1 0 303.311 -0.704 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CC[C@H](OC(F)F)C2)CCO1 ZINC001594940337 954879002 /nfs/dbraw/zinc/87/90/02/954879002.db2.gz CEHPWYBRBGWADN-JGVFFNPUSA-N -1 0 322.264 -0.862 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCOC3(CCC3)C2)CCO1 ZINC001594940496 954881856 /nfs/dbraw/zinc/88/18/56/954881856.db2.gz HPRWOCSLTDLUSS-JTQLQIEISA-N -1 0 312.322 -0.920 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2[C@H]2C[C@@H]3CCCCN3C2=O)C1 ZINC001594940752 954885705 /nfs/dbraw/zinc/88/57/05/954885705.db2.gz NWDSBNLETXIKNX-VWYCJHECSA-N -1 0 320.353 -0.090 20 0 DBADRM COC(=O)[C@H](C)CN(C)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593805240 954892769 /nfs/dbraw/zinc/89/27/69/954892769.db2.gz CXYISAIKTQEFGF-SECBINFHSA-N -1 0 310.306 -0.186 20 0 DBADRM COC(=O)[C@@](C)(O)CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001593805753 954902025 /nfs/dbraw/zinc/90/20/25/954902025.db2.gz RKVJMDIUMRUGCR-AWEZNQCLSA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)[C@@](C)(O)CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001593805827 954903633 /nfs/dbraw/zinc/90/36/33/954903633.db2.gz UMXBCEUGHWAMJW-AWEZNQCLSA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@H](C(=O)[O-])C(C)C ZINC001593805948 954904294 /nfs/dbraw/zinc/90/42/94/954904294.db2.gz DMEJTJWPRJGEFI-PSASIEDQSA-N -1 0 303.311 -0.236 20 0 DBADRM CC[C@H](C[C@H](C)O)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589466551 954910003 /nfs/dbraw/zinc/91/00/03/954910003.db2.gz HKSSBXLLZUPKNA-VHSXEESVSA-N -1 0 321.395 -0.068 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC001589470191 954917504 /nfs/dbraw/zinc/91/75/04/954917504.db2.gz BJHBNIGLIFJNGL-UHFFFAOYSA-N -1 0 309.326 -0.349 20 0 DBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001593809957 954925282 /nfs/dbraw/zinc/92/52/82/954925282.db2.gz CORGNQXZDKIVGK-SDBXPKJASA-N -1 0 310.310 -0.563 20 0 DBADRM COC(=O)[C@@H](Cn1cncn1)NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001593809956 954925536 /nfs/dbraw/zinc/92/55/36/954925536.db2.gz CORGNQXZDKIVGK-OQPBUACISA-N -1 0 310.310 -0.563 20 0 DBADRM O=C([O-])C1CN(C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC001594947983 954933480 /nfs/dbraw/zinc/93/34/80/954933480.db2.gz GPIFMFDYRWZFRQ-UHFFFAOYSA-N -1 0 323.353 -0.236 20 0 DBADRM COC(=O)[C@@H](Cn1cncn1)NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001593810793 954936311 /nfs/dbraw/zinc/93/63/11/954936311.db2.gz KNZRWPOCSJXRHH-RKDXNWHRSA-N -1 0 312.326 -0.317 20 0 DBADRM COC(=O)[C@@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1cccnc1 ZINC001593811646 954947072 /nfs/dbraw/zinc/94/70/72/954947072.db2.gz SEXJOZQODMXUCT-UWVGGRQHSA-N -1 0 307.262 -0.359 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)C2(CC(=O)[O-])CCOCC2)C1 ZINC001593813603 954975109 /nfs/dbraw/zinc/97/51/09/954975109.db2.gz GOJOHPLZFHRUHQ-CQSZACIVSA-N -1 0 315.322 -0.606 20 0 DBADRM COC(=O)C1(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)CCOCC1 ZINC001593813957 954979758 /nfs/dbraw/zinc/97/97/58/954979758.db2.gz NHLGEBONYZDVLR-CQSZACIVSA-N -1 0 315.322 -0.294 20 0 DBADRM COC(=O)C1(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCSCC1 ZINC001593814835 954993326 /nfs/dbraw/zinc/99/33/26/954993326.db2.gz VGJBGHJCWLDTFB-MRVPVSSYSA-N -1 0 316.335 -0.229 20 0 DBADRM COC(=O)C1=C(C)O[C@H](CN2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC001593815135 954995070 /nfs/dbraw/zinc/99/50/70/954995070.db2.gz CIBBSCSAWBDIFI-JTQLQIEISA-N -1 0 312.322 -0.549 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CN1CSCCSC1 ZINC001594957908 954996014 /nfs/dbraw/zinc/99/60/14/954996014.db2.gz UVQQUFUEHMRUNN-SECBINFHSA-N -1 0 306.409 -0.005 20 0 DBADRM CCC(CC)(CNC(=O)N1CC(O)(C(=O)OC)C1)C(=O)[O-] ZINC001589489283 955008121 /nfs/dbraw/zinc/00/81/21/955008121.db2.gz VAUQQNPUMCDTHH-UHFFFAOYSA-N -1 0 302.327 -0.193 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001594960178 955008278 /nfs/dbraw/zinc/00/82/78/955008278.db2.gz RKDCFVJFXOTVDX-ZNSALQAWSA-N -1 0 313.375 -0.011 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001593816924 955009743 /nfs/dbraw/zinc/00/97/43/955009743.db2.gz VQJKSMZADXQYHG-WCBMZHEXSA-N -1 0 310.310 -0.224 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1c[nH]c2ncccc12 ZINC001594960461 955011192 /nfs/dbraw/zinc/01/11/92/955011192.db2.gz YJGMJXFJNCICJA-JTQLQIEISA-N -1 0 323.330 -0.113 20 0 DBADRM COC(=O)C12CC(C(=O)O[C@H]3CCN(CC(=O)[O-])C3=O)(C1)C2 ZINC001593817133 955011355 /nfs/dbraw/zinc/01/13/55/955011355.db2.gz ZNWYYLQLLSUQLX-AHOQVSSZSA-N -1 0 311.290 -0.442 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@@H]2C(=O)[O-] ZINC001593819228 955014675 /nfs/dbraw/zinc/01/46/75/955014675.db2.gz BHMBKBQNKHUHAU-ZYTOWTHASA-N -1 0 324.333 -0.636 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)C(=O)N1CCC1)C[C@@H]2C(=O)[O-] ZINC001593820030 955024674 /nfs/dbraw/zinc/02/46/74/955024674.db2.gz HUVORRFUQPMRJZ-KGXJWFGYSA-N -1 0 324.333 -0.669 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cnn2ccccc12 ZINC001594963166 955028399 /nfs/dbraw/zinc/02/83/99/955028399.db2.gz YBMNZTVCSZAMKA-LLVKDONJSA-N -1 0 323.330 -0.342 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)Cn1ccnc1)C[C@H]2C(=O)[O-] ZINC001593821588 955043609 /nfs/dbraw/zinc/04/36/09/955043609.db2.gz MLOKTTRLIZRMHM-VTWZXRTESA-N -1 0 321.333 -0.005 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1nccn1CC(F)F ZINC001594965331 955046801 /nfs/dbraw/zinc/04/68/01/955046801.db2.gz LTHXTHQUXUTXEG-QMMMGPOBSA-N -1 0 323.321 -0.168 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1nccn1CC(F)F ZINC001594965327 955047070 /nfs/dbraw/zinc/04/70/70/955047070.db2.gz LTHXTHQUXUTXEG-MRVPVSSYSA-N -1 0 323.321 -0.168 20 0 DBADRM CCC(CC)(NC(=O)c1cccn(CC(=O)[O-])c1=O)C(N)=O ZINC001589510708 955047815 /nfs/dbraw/zinc/04/78/15/955047815.db2.gz VIZFRWGFBSWHPX-UHFFFAOYSA-N -1 0 309.322 -0.293 20 0 DBADRM CNC(=O)C(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000386581457 972066140 /nfs/dbraw/zinc/06/61/40/972066140.db2.gz LIXIYMGRDWZGOK-UHFFFAOYSA-N -1 0 315.351 -0.170 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NCC2(O)CCOCC2)c1 ZINC000386579965 972066161 /nfs/dbraw/zinc/06/61/61/972066161.db2.gz KXMISTHUXMIDBV-UHFFFAOYSA-N -1 0 316.335 -0.400 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N[C@H]1CCN(CC(F)F)C1)C(=O)[O-] ZINC001589518034 955076433 /nfs/dbraw/zinc/07/64/33/955076433.db2.gz JKYZNVHUWNCWPT-BDAKNGLRSA-N -1 0 321.324 -0.331 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)NCCN1CCOC[C@H]1C)C(=O)[O-] ZINC001589518927 955083883 /nfs/dbraw/zinc/08/38/83/955083883.db2.gz OTBWIDZDOFPJFQ-MNOVXSKESA-N -1 0 315.370 -0.950 20 0 DBADRM COC(=O)C1CC2(C1)CN(c1nccn(C)c1=O)C[C@H]2C(=O)[O-] ZINC001593824909 955090811 /nfs/dbraw/zinc/09/08/11/955090811.db2.gz BBPRMFIYFMMHFO-VOZQYIJBSA-N -1 0 321.333 -0.130 20 0 DBADRM CC[C@H](CNC(=O)N(C)C[C@H](O)CN1CCOCC1)C(=O)[O-] ZINC001589524823 955100858 /nfs/dbraw/zinc/10/08/58/955100858.db2.gz GIWGUZMMXFZDRH-NEPJUHHUSA-N -1 0 317.386 -0.568 20 0 DBADRM CC[C@@H](CNC(=O)N(C)C[C@H](O)CN1CCOCC1)C(=O)[O-] ZINC001589524827 955101409 /nfs/dbraw/zinc/10/14/09/955101409.db2.gz GIWGUZMMXFZDRH-RYUDHWBXSA-N -1 0 317.386 -0.568 20 0 DBADRM COC(=O)C1CC2(C1)CN(Cc1ncnn1C)C[C@@H]2C(=O)[O-] ZINC001593826095 955105570 /nfs/dbraw/zinc/10/55/70/955105570.db2.gz PBSBWLILVPRTKP-OPASDULOSA-N -1 0 308.338 -0.099 20 0 DBADRM COC(=O)C1CC2(C1)CN(S(=O)(=O)N(C)C)C[C@@H]2C(=O)[O-] ZINC001593827068 955112370 /nfs/dbraw/zinc/11/23/70/955112370.db2.gz ZYFJZCRXGQSKRP-NBBOBHDQSA-N -1 0 320.367 -0.621 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C[C@H]1C(=O)OC ZINC001593827760 955116251 /nfs/dbraw/zinc/11/62/51/955116251.db2.gz IIBPIMSFJVTAPJ-KYXWUPHJSA-N -1 0 313.306 -0.482 20 0 DBADRM CC[C@@H](CNC(=O)CN1CCC[C@@H](C(=O)OC)C1=O)C(=O)[O-] ZINC001589526305 955118563 /nfs/dbraw/zinc/11/85/63/955118563.db2.gz RGACAEJXUGWEAI-VHSXEESVSA-N -1 0 314.338 -0.375 20 0 DBADRM COC(=O)[C@@H]1CN(C)CCN(C(=O)CSCC(=O)[O-])C1 ZINC001593828743 955127889 /nfs/dbraw/zinc/12/78/89/955127889.db2.gz SCIASBNUIYTPQT-SECBINFHSA-N -1 0 304.368 -0.633 20 0 DBADRM CC[C@@H](CNC(=O)N1CCC(CS(N)(=O)=O)CC1)C(=O)[O-] ZINC001589527091 955129343 /nfs/dbraw/zinc/12/93/43/955129343.db2.gz UTYNPKKTAJTUSN-JTQLQIEISA-N -1 0 321.399 -0.193 20 0 DBADRM COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001593829440 955136504 /nfs/dbraw/zinc/13/65/04/955136504.db2.gz XQOPHRCKSFWJCX-KXUCPTDWSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CCCC(=O)[O-] ZINC001593829439 955136874 /nfs/dbraw/zinc/13/68/74/955136874.db2.gz XQCFZBRJDGTPIR-QMMMGPOBSA-N -1 0 307.324 -0.960 20 0 DBADRM COC(=O)[C@@H]1Cc2ccc(O)cc2CN1CC(=O)NCC(=O)[O-] ZINC001593829727 955140253 /nfs/dbraw/zinc/14/02/53/955140253.db2.gz ISPPHSPRFCSUOT-LBPRGKRZSA-N -1 0 322.317 -0.507 20 0 DBADRM CC[C@H](CNC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)C(=O)[O-] ZINC001589529304 955142910 /nfs/dbraw/zinc/14/29/10/955142910.db2.gz UKQHUQNLQNXGTD-NXEZZACHSA-N -1 0 321.399 -0.228 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1CC1 ZINC001593833291 955171531 /nfs/dbraw/zinc/17/15/31/955171531.db2.gz UHUFSGFNONCQFU-ZJUUUORDSA-N -1 0 320.367 -0.289 20 0 DBADRM COC(=O)CCCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593834027 955173416 /nfs/dbraw/zinc/17/34/16/955173416.db2.gz DSLNMFHIKKADBH-SECBINFHSA-N -1 0 300.311 -0.621 20 0 DBADRM CC[C@@H](CNC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001589550953 955214626 /nfs/dbraw/zinc/21/46/26/955214626.db2.gz PUMBBRMHZLQASZ-ZETCQYMHSA-N -1 0 301.324 -0.430 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC000386728855 972076089 /nfs/dbraw/zinc/07/60/89/972076089.db2.gz BONJDDBVBYGSQG-QMTHXVAHSA-N -1 0 306.322 -0.507 20 0 DBADRM Cc1noc(CCCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC001594500106 955317691 /nfs/dbraw/zinc/31/76/91/955317691.db2.gz LTCXAVJPNKHKFB-VIFPVBQESA-N -1 0 310.310 -0.640 20 0 DBADRM Cc1noc(CCCC(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)n1 ZINC001594500128 955317881 /nfs/dbraw/zinc/31/78/81/955317881.db2.gz MEOAAVOIIDPVFK-SECBINFHSA-N -1 0 311.294 -0.071 20 0 DBADRM Cc1nonc1CC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594501019 955322077 /nfs/dbraw/zinc/32/20/77/955322077.db2.gz FJXBNVXQIBRMIP-SECBINFHSA-N -1 0 310.310 -0.498 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)[C@]2(C(=O)[O-])CCCO2)CCO1 ZINC001593837684 955324222 /nfs/dbraw/zinc/32/42/22/955324222.db2.gz WSZYPDBJBTZQJO-ZANVPECISA-N -1 0 301.295 -0.589 20 0 DBADRM COC(=O)C[C@H]1COCCN1CN1C[C@@H](C(=O)[O-])CC1=O ZINC001593837714 955326015 /nfs/dbraw/zinc/32/60/15/955326015.db2.gz YGCIJOGYVHYKDX-UWVGGRQHSA-N -1 0 300.311 -0.859 20 0 DBADRM COC(=O)CCCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC001593837738 955326438 /nfs/dbraw/zinc/32/64/38/955326438.db2.gz YOYIFFFAPZZLOC-VIFPVBQESA-N -1 0 302.327 -0.233 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1c(C)onc1CO ZINC001593839075 955336017 /nfs/dbraw/zinc/33/60/17/955336017.db2.gz JSHROPBOMDIMBD-UHFFFAOYSA-N -1 0 300.267 -0.435 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)CCSCC(=O)OC ZINC001593839146 955337799 /nfs/dbraw/zinc/33/77/99/955337799.db2.gz AWKWMXRLBHQXCK-UHFFFAOYSA-N -1 0 321.351 -0.241 20 0 DBADRM Cc1noc(C2CC2)c1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001594503385 955343074 /nfs/dbraw/zinc/34/30/74/955343074.db2.gz ZXWRARNLXASWIS-CYBMUJFWSA-N -1 0 311.294 -0.249 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CCn2ccnc2C1 ZINC001593839682 955346521 /nfs/dbraw/zinc/34/65/21/955346521.db2.gz QNJOEVODTXLNQV-SNVBAGLBSA-N -1 0 309.322 -0.078 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)CC1(O)CCOCC1 ZINC001593839706 955346600 /nfs/dbraw/zinc/34/66/00/955346600.db2.gz RQZCNLGHDFUBLK-UHFFFAOYSA-N -1 0 303.311 -0.606 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CCCn2ncnc21 ZINC001593839861 955349629 /nfs/dbraw/zinc/34/96/29/955349629.db2.gz ZTWXSKIFYLZFQP-VIFPVBQESA-N -1 0 310.310 -0.368 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1cnc2nccn2c1 ZINC001593839867 955350019 /nfs/dbraw/zinc/35/00/19/955350019.db2.gz ABCQPBHAGBGUBU-UHFFFAOYSA-N -1 0 306.278 -0.181 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CCCn2ncnc21 ZINC001593839860 955350257 /nfs/dbraw/zinc/35/02/57/955350257.db2.gz ZTWXSKIFYLZFQP-SECBINFHSA-N -1 0 310.310 -0.368 20 0 DBADRM Cc1oc(C(=O)OCC(=O)NCC(=O)[O-])cc1S(C)(=O)=O ZINC001594505699 955353239 /nfs/dbraw/zinc/35/32/39/955353239.db2.gz AEOPBISEQBUDLU-UHFFFAOYSA-N -1 0 319.291 -0.651 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)Cc1cncc(C(=O)[O-])c1 ZINC001598604530 1017330040 /nfs/dbraw/zinc/33/00/40/1017330040.db2.gz MSOJOZKHZSXQPX-UHFFFAOYSA-N -1 0 306.366 -0.014 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1ccnc2c1CC(=O)N2 ZINC001593840256 955355398 /nfs/dbraw/zinc/35/53/98/955355398.db2.gz STJRSLBKYDRYCI-UHFFFAOYSA-N -1 0 321.289 -0.334 20 0 DBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001594506641 955362649 /nfs/dbraw/zinc/36/26/49/955362649.db2.gz QDVFQSSONAIHSU-NSHDSACASA-N -1 0 305.308 -0.443 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001594506864 955365269 /nfs/dbraw/zinc/36/52/69/955365269.db2.gz TXOIVOWGTKOMDY-NSHDSACASA-N -1 0 318.307 -0.791 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)[C@@H]1CCOC[C@@H]1C ZINC001593841622 955371790 /nfs/dbraw/zinc/37/17/90/955371790.db2.gz FCFAUMJGAULTAO-VHSXEESVSA-N -1 0 323.367 -0.309 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)c1cn(C)nc1C ZINC001593843318 955384034 /nfs/dbraw/zinc/38/40/34/955384034.db2.gz SIWQCWGICJFAGU-UHFFFAOYSA-N -1 0 319.339 -0.633 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)OC)O1)C(=O)[O-] ZINC001593844123 955390733 /nfs/dbraw/zinc/39/07/33/955390733.db2.gz NTCDOTHVAHIVDC-YIZRAAEISA-N -1 0 317.294 -0.770 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001593844411 955395249 /nfs/dbraw/zinc/39/52/49/955395249.db2.gz IOJDJCVRVHFEOL-AWEZNQCLSA-N -1 0 314.338 -0.327 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@](C)(OC)C(=O)[O-])[C@H](C)C1 ZINC001593844476 955396637 /nfs/dbraw/zinc/39/66/37/955396637.db2.gz KEWQZOIHQFAESB-YGRLFVJLSA-N -1 0 316.354 -0.428 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)N3CCO[C@H](C(=O)[O-])C3)ccnc1-2 ZINC001594512862 955402198 /nfs/dbraw/zinc/40/21/98/955402198.db2.gz BRISVCREOZPAJJ-JTQLQIEISA-N -1 0 305.294 -0.341 20 0 DBADRM COC(=O)CC[C@H](NC(=O)/C=C1\SCC(=O)N1C)C(=O)[O-] ZINC001593845523 955408858 /nfs/dbraw/zinc/40/88/58/955408858.db2.gz GIKCFOWXQMPMIF-ZHNVUNHESA-N -1 0 316.335 -0.444 20 0 DBADRM COC(=O)CC[C@H](NC(=O)C1=CS(=O)(=O)CCC1)C(=O)[O-] ZINC001593845482 955409619 /nfs/dbraw/zinc/40/96/19/955409619.db2.gz IDWJEHPYXQACLW-VIFPVBQESA-N -1 0 319.335 -0.399 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC001593846053 955416511 /nfs/dbraw/zinc/41/65/11/955416511.db2.gz MDQVTOCJUGTOEC-QMMMGPOBSA-N -1 0 309.340 -0.666 20 0 DBADRM COC(=O)CC[C@H](NC(=O)C1(N2CCOCC2)CC1)C(=O)[O-] ZINC001593846638 955423321 /nfs/dbraw/zinc/42/33/21/955423321.db2.gz VJXPDDJMAFHQKA-JTQLQIEISA-N -1 0 314.338 -0.626 20 0 DBADRM Cn1c(=O)n2c(c1C(=O)NC1(C(=O)[O-])CCOCC1)CCCC2 ZINC001594517835 955430691 /nfs/dbraw/zinc/43/06/91/955430691.db2.gz NKMNPJZCEAMBFS-UHFFFAOYSA-N -1 0 323.349 -0.113 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1cnn2ncccc12)C(=O)[O-] ZINC001593848790 955440792 /nfs/dbraw/zinc/44/07/92/955440792.db2.gz RNJBFLPEARJKMM-VIFPVBQESA-N -1 0 306.278 -0.135 20 0 DBADRM C[C@@H](CN(C)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001589019310 955448934 /nfs/dbraw/zinc/44/89/34/955448934.db2.gz FXNSRVWPZUVQLE-VHSXEESVSA-N -1 0 306.384 -0.716 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001593850555 955450675 /nfs/dbraw/zinc/45/06/75/955450675.db2.gz INAILNZHZHDFCH-WPPNPWJKSA-N -1 0 301.295 -0.292 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@@H](n2cccn2)C1)C(=O)[O-] ZINC001589019657 955455104 /nfs/dbraw/zinc/45/51/04/955455104.db2.gz HECLDJDYYIETEL-GHMZBOCLSA-N -1 0 308.338 -0.164 20 0 DBADRM COC(=O)C[C@@H](C)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593851894 955468204 /nfs/dbraw/zinc/46/82/04/955468204.db2.gz AKBKJZLBIBOYMA-MRVPVSSYSA-N -1 0 321.351 -0.666 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@@H](OCCO)C1)C(=O)[O-] ZINC001589020793 955468260 /nfs/dbraw/zinc/46/82/60/955468260.db2.gz WTQSWMSKQSSAHW-GHMZBOCLSA-N -1 0 316.354 -0.835 20 0 DBADRM Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001594523408 955475853 /nfs/dbraw/zinc/47/58/53/955475853.db2.gz DJZQRXJJRSVOOD-TVLCNXBWSA-N -1 0 321.337 -0.696 20 0 DBADRM C[C@@H](CN(C)C(=O)NC1CC(NS(C)(=O)=O)C1)C(=O)[O-] ZINC001589021444 955476128 /nfs/dbraw/zinc/47/61/28/955476128.db2.gz WKZNEZFZODDBMU-UEJVZZJDSA-N -1 0 307.372 -0.571 20 0 DBADRM COC(=O)C[C@H](C)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593853894 955479134 /nfs/dbraw/zinc/47/91/34/955479134.db2.gz AKBKJZLBIBOYMA-QMMMGPOBSA-N -1 0 321.351 -0.666 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NCc1nc(C2CC2)no1)C(=O)[O-] ZINC001589022637 955483404 /nfs/dbraw/zinc/48/34/04/955483404.db2.gz SUZSXPJXZHFPNM-SSDOTTSWSA-N -1 0 310.310 -0.258 20 0 DBADRM Cn1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)c(=O)[nH]c1=O ZINC001594525969 955501791 /nfs/dbraw/zinc/50/17/91/955501791.db2.gz PTCQLLRZVHMDNO-UHFFFAOYSA-N -1 0 311.294 -0.808 20 0 DBADRM C[C@@H](CN(C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC001589027277 955505560 /nfs/dbraw/zinc/50/55/60/955505560.db2.gz ZESGHFAYWCNVDQ-VHSXEESVSA-N -1 0 321.399 -0.228 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000387082450 972102255 /nfs/dbraw/zinc/10/22/55/972102255.db2.gz ZQYVDSAHMKJWKF-DTORHVGOSA-N -1 0 324.314 -0.722 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001594529605 955514703 /nfs/dbraw/zinc/51/47/03/955514703.db2.gz ILZHGOQCXPEUSA-SNVBAGLBSA-N -1 0 305.294 -0.587 20 0 DBADRM Cn1cc(C(C)(C)NC(=O)c2cccn(CC(=O)[O-])c2=O)nn1 ZINC001594529936 955517997 /nfs/dbraw/zinc/51/79/97/955517997.db2.gz PLOJCJNGKPTEOQ-UHFFFAOYSA-N -1 0 319.321 -0.274 20 0 DBADRM Cn1cc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)c(Cl)n1 ZINC001594529939 955518198 /nfs/dbraw/zinc/51/81/98/955518198.db2.gz PPAOKIDGASQUPB-SSDOTTSWSA-N -1 0 301.686 -0.084 20 0 DBADRM Cn1cc(C(=O)NCCOCCOCC(=O)[O-])c(Cl)n1 ZINC001594530293 955523676 /nfs/dbraw/zinc/52/36/76/955523676.db2.gz KLFFRIHZHMSDOJ-UHFFFAOYSA-N -1 0 305.718 -0.079 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cn(CC(=O)[O-])nn2)[C@H](C)C1 ZINC001593861188 955546959 /nfs/dbraw/zinc/54/69/59/955546959.db2.gz NGBPNXMSLIOHJY-RKDXNWHRSA-N -1 0 310.310 -0.224 20 0 DBADRM COC(=O)[C@@H](NC(=O)CN1CCO[C@@H](C(=O)[O-])C1)C(C)C ZINC001593861269 955547798 /nfs/dbraw/zinc/54/77/98/955547798.db2.gz PUPWYWVIZVFRLG-KOLCDFICSA-N -1 0 302.327 -0.914 20 0 DBADRM COC(=O)[C@@H](NC(=O)CN1CCOC[C@H]1C(=O)[O-])C(C)C ZINC001593861265 955548015 /nfs/dbraw/zinc/54/80/15/955548015.db2.gz PNZBQCSUCKEYGU-ONGXEEELSA-N -1 0 302.327 -0.914 20 0 DBADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)C3(O)COC3)C2)cn1 ZINC001594532857 955548241 /nfs/dbraw/zinc/54/82/41/955548241.db2.gz WGBCROHWDIEENV-VHSXEESVSA-N -1 0 309.322 -0.802 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1)C(=O)[O-] ZINC001589037171 955559993 /nfs/dbraw/zinc/55/99/93/955559993.db2.gz XOLYYSVFSODORU-BFVZDQMLSA-N -1 0 314.338 -0.722 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593862827 955560126 /nfs/dbraw/zinc/56/01/26/955560126.db2.gz VCCQJWWCUYQZPV-FYLLDIAZSA-N -1 0 315.322 -0.297 20 0 DBADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3cn(C)nn3)C2)cn1 ZINC001594535276 955567214 /nfs/dbraw/zinc/56/72/14/955567214.db2.gz CFVZYQKOBIDUAP-VHSXEESVSA-N -1 0 318.337 -0.121 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC001593864999 955571309 /nfs/dbraw/zinc/57/13/09/955571309.db2.gz FSOMHEQGHJFMNB-IWSPIJDZSA-N -1 0 300.311 -0.767 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593865004 955571512 /nfs/dbraw/zinc/57/15/12/955571512.db2.gz FZXOGCWTHUSOCZ-CHWFTXMASA-N -1 0 315.322 -0.609 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC001593864998 955571624 /nfs/dbraw/zinc/57/16/24/955571624.db2.gz FSOMHEQGHJFMNB-CIUDSAMLSA-N -1 0 300.311 -0.767 20 0 DBADRM COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N(C)CCC(=O)[O-] ZINC001593866137 955579373 /nfs/dbraw/zinc/57/93/73/955579373.db2.gz DMIBDQHHYYWZKQ-UHFFFAOYSA-N -1 0 311.294 -0.019 20 0 DBADRM Cn1cc([C@@H]2C[C@H](NC(=O)[C@H]3CC(C(=O)[O-])=NO3)CCO2)cn1 ZINC001594536936 955584556 /nfs/dbraw/zinc/58/45/56/955584556.db2.gz HDFVSWJWAVKVKI-ADEWGFFLSA-N -1 0 322.321 -0.014 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CCn1ccccc1=O ZINC000387242205 972112733 /nfs/dbraw/zinc/11/27/33/972112733.db2.gz KUGYSIUGFMRADL-SNVBAGLBSA-N -1 0 307.306 -0.960 20 0 DBADRM C[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1)C(=O)[O-] ZINC001589050742 955660285 /nfs/dbraw/zinc/66/02/85/955660285.db2.gz NOPZGUUACPNOED-VDDIYKPWSA-N -1 0 304.368 -0.217 20 0 DBADRM Cn1cc(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)c(=O)[nH]c1=O ZINC001594542680 955665562 /nfs/dbraw/zinc/66/55/62/955665562.db2.gz ICAHFMSQVWPCJC-AWEZNQCLSA-N -1 0 307.306 -0.087 20 0 DBADRM Cn1cc(CCNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)cn1 ZINC001594542657 955666024 /nfs/dbraw/zinc/66/60/24/955666024.db2.gz GGSSHKKNHVKLBI-NSHDSACASA-N -1 0 308.338 -0.598 20 0 DBADRM COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)[C@H](OC)C(=O)[O-] ZINC001593876019 955670534 /nfs/dbraw/zinc/67/05/34/955670534.db2.gz OOOAVIAOIMHUGT-XVKPBYJWSA-N -1 0 311.294 -0.280 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@]3(C(=O)[O-])CCCO3)CC2=O)cn1 ZINC001594546783 955690307 /nfs/dbraw/zinc/69/03/07/955690307.db2.gz ZYACEKQURVZZEC-AWEZNQCLSA-N -1 0 322.321 -0.771 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000387327690 972118491 /nfs/dbraw/zinc/11/84/91/972118491.db2.gz UJDBYNNBCFHRTQ-VIFPVBQESA-N -1 0 306.274 -0.169 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000387345157 972118536 /nfs/dbraw/zinc/11/85/36/972118536.db2.gz VTJNCZFQVVHWRA-UHFFFAOYSA-N -1 0 319.314 -0.142 20 0 DBADRM Cn1cc(NC(=O)Cc2ccccc2C(=O)[O-])c(=O)n(C)c1=O ZINC001594548003 955693201 /nfs/dbraw/zinc/69/32/01/955693201.db2.gz GCYHFJKPTHRTCK-UHFFFAOYSA-N -1 0 317.301 -0.037 20 0 DBADRM Cn1cc(N2CCN(Cc3cc(C(=O)[O-])nn3C)CC2=O)cn1 ZINC001594547992 955693219 /nfs/dbraw/zinc/69/32/19/955693219.db2.gz FVSNYOIHKUIONF-UHFFFAOYSA-N -1 0 318.337 -0.299 20 0 DBADRM Cn1cc([C@@H]2C[C@H]2C(=O)OCc2cn(CC(=O)[O-])nn2)cn1 ZINC001594548320 955697407 /nfs/dbraw/zinc/69/74/07/955697407.db2.gz KLGZAJHVLHOYAQ-WDEREUQCSA-N -1 0 305.294 -0.057 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)nn1 ZINC001594549016 955705579 /nfs/dbraw/zinc/70/55/79/955705579.db2.gz YVHYGEJFWWARBL-UHFFFAOYSA-N -1 0 309.326 -0.143 20 0 DBADRM Cn1cc(S(=O)(=O)NC2(C(=O)[O-])CCCC2)c(=O)[nH]c1=O ZINC001594549930 955716892 /nfs/dbraw/zinc/71/68/92/955716892.db2.gz YYRFCZNUQMZCMC-UHFFFAOYSA-N -1 0 317.323 -0.838 20 0 DBADRM Cn1ccc(CCn2nnnc2N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC001594550592 955722562 /nfs/dbraw/zinc/72/25/62/955722562.db2.gz MLROMMGJDSIVNR-SNVBAGLBSA-N -1 0 305.342 -0.050 20 0 DBADRM Cn1ccn2c(CCNC(=O)NCCCC(=O)[O-])nnc2c1=O ZINC001594551403 955727941 /nfs/dbraw/zinc/72/79/41/955727941.db2.gz CSOMEHHGFZNNKC-UHFFFAOYSA-N -1 0 322.325 -0.866 20 0 DBADRM C[C@H](CNC(=O)c1cn(CC(=O)[O-])nn1)N1CCCCC1=O ZINC001589062969 955728972 /nfs/dbraw/zinc/72/89/72/955728972.db2.gz CZPHNILYGJLKHL-SECBINFHSA-N -1 0 309.326 -0.507 20 0 DBADRM C[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CNC2=O)C(=O)[O-] ZINC001589063060 955730269 /nfs/dbraw/zinc/73/02/69/955730269.db2.gz QQKFWYCWEMZGOO-ZETCQYMHSA-N -1 0 305.290 -0.181 20 0 DBADRM COC(=O)c1cccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001593884438 955733060 /nfs/dbraw/zinc/73/30/60/955733060.db2.gz AYHVXZHEPHDHRX-AWEZNQCLSA-N -1 0 324.289 -0.637 20 0 DBADRM Cn1cccc1CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001594551804 955734610 /nfs/dbraw/zinc/73/46/10/955734610.db2.gz ZUTLPQROUAELOI-UHFFFAOYSA-N -1 0 323.349 -0.361 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000387521173 972126087 /nfs/dbraw/zinc/12/60/87/972126087.db2.gz WQXVDLZBQNHKOH-QMMMGPOBSA-N -1 0 316.339 -0.988 20 0 DBADRM Cn1ccnc1[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(C)(C)CO ZINC001594553791 955743263 /nfs/dbraw/zinc/74/32/63/955743263.db2.gz DQZSPPQNLAPPJA-ZJUUUORDSA-N -1 0 324.337 -0.175 20 0 DBADRM Cn1ccnc1[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C(C)(C)CO ZINC001594553789 955743397 /nfs/dbraw/zinc/74/33/97/955743397.db2.gz DQZSPPQNLAPPJA-UWVGGRQHSA-N -1 0 324.337 -0.175 20 0 DBADRM Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001594555784 955757612 /nfs/dbraw/zinc/75/76/12/955757612.db2.gz LIKIUYPEHAIURS-GMTAPVOTSA-N -1 0 320.349 -0.285 20 0 DBADRM COC(=O)c1cccn(CC(=O)N2CCC(C(=O)[O-])CC2)c1=O ZINC001593888867 955769835 /nfs/dbraw/zinc/76/98/35/955769835.db2.gz UEHJVAUAALWZPV-UHFFFAOYSA-N -1 0 322.317 -0.042 20 0 DBADRM Cn1cnc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1 ZINC001594556742 955770465 /nfs/dbraw/zinc/77/04/65/955770465.db2.gz YXRIYVKASZXFIH-SNVBAGLBSA-N -1 0 320.349 -0.042 20 0 DBADRM COC(=O)c1cn(CCNC(=O)c2ccc(C(=O)[O-])cn2)nn1 ZINC001593890750 955777832 /nfs/dbraw/zinc/77/78/32/955777832.db2.gz LDQRYZYEPPWISC-UHFFFAOYSA-N -1 0 319.277 -0.412 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)nn1 ZINC001593890866 955778974 /nfs/dbraw/zinc/77/89/74/955778974.db2.gz OVMMFBPOCPHQAJ-RKDXNWHRSA-N -1 0 310.310 -0.366 20 0 DBADRM COC(=O)c1cn(CC(=O)Nc2cc(C(=O)[O-])ccn2)nn1 ZINC001593890817 955779190 /nfs/dbraw/zinc/77/91/90/955779190.db2.gz OBFARLGSJRTTOB-UHFFFAOYSA-N -1 0 305.250 -0.203 20 0 DBADRM COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)CCC(=O)[O-])nn1 ZINC001593890941 955779965 /nfs/dbraw/zinc/77/99/65/955779965.db2.gz PWCGZSJOJSVAGY-RKDXNWHRSA-N -1 0 313.266 -0.587 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)n1 ZINC001594558000 955781923 /nfs/dbraw/zinc/78/19/23/955781923.db2.gz QWZNXSPVCQLSGL-VIFPVBQESA-N -1 0 309.326 -0.855 20 0 DBADRM Cn1cnc(CCCNC(=O)c2cccn(CC(=O)[O-])c2=O)n1 ZINC001594558111 955784124 /nfs/dbraw/zinc/78/41/24/955784124.db2.gz XIWVAIMYBJIZDL-UHFFFAOYSA-N -1 0 319.321 -0.576 20 0 DBADRM COC(=O)c1ccnc(C(=O)OCc2cn(CC(=O)[O-])nn2)c1 ZINC001593891936 955790955 /nfs/dbraw/zinc/79/09/55/955790955.db2.gz QFJIBRIUGIHFAA-UHFFFAOYSA-N -1 0 320.261 -0.099 20 0 DBADRM Cn1cncc1CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594558869 955792410 /nfs/dbraw/zinc/79/24/10/955792410.db2.gz YVPZTZRJSZUNPO-UHFFFAOYSA-N -1 0 315.351 -0.684 20 0 DBADRM Cn1cnnc1COCC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001594559265 955793571 /nfs/dbraw/zinc/79/35/71/955793571.db2.gz FJKJWVGDWPQDQB-UHFFFAOYSA-N -1 0 322.325 -0.013 20 0 DBADRM Cn1cnnc1S(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001594559279 955793730 /nfs/dbraw/zinc/79/37/30/955793730.db2.gz FSTXEXIAWURHDM-SECBINFHSA-N -1 0 311.323 -0.816 20 0 DBADRM Cn1cnnc1N1CCN(Cc2cc(C(=O)[O-])nn2C)CC1 ZINC001594559251 955794036 /nfs/dbraw/zinc/79/40/36/955794036.db2.gz DSNZOLZXCDXFFV-UHFFFAOYSA-N -1 0 305.342 -0.431 20 0 DBADRM Cn1cnnc1Cn1cc(CN2CCCC[C@@H]2C(=O)[O-])nn1 ZINC001594559518 955795436 /nfs/dbraw/zinc/79/54/36/955795436.db2.gz KAILCFPVEHCXHY-LLVKDONJSA-N -1 0 305.342 -0.106 20 0 DBADRM COC(=O)c1coc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC001593893841 955806198 /nfs/dbraw/zinc/80/61/98/955806198.db2.gz HWBSFBWWMWMFSQ-SNVBAGLBSA-N -1 0 317.319 -0.250 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001594564383 955823848 /nfs/dbraw/zinc/82/38/48/955823848.db2.gz PIVZWJAGHFEXKY-OCAPTIKFSA-N -1 0 313.335 -0.765 20 0 DBADRM COC(=O)c1ncoc1CNC(=O)C1(C(=O)[O-])CCOCC1 ZINC001593897077 955829510 /nfs/dbraw/zinc/82/95/10/955829510.db2.gz AWZVLWIYFPPRLG-UHFFFAOYSA-N -1 0 312.278 -0.041 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC001594565080 955837125 /nfs/dbraw/zinc/83/71/25/955837125.db2.gz SGDFNIRDPVNTHJ-SECBINFHSA-N -1 0 306.322 -0.141 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCC1CCS(=O)(=O)CC1 ZINC001594565489 955840958 /nfs/dbraw/zinc/84/09/58/955840958.db2.gz DUEBTLDUHZHEGO-UHFFFAOYSA-N -1 0 315.351 -0.327 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001594565663 955842634 /nfs/dbraw/zinc/84/26/34/955842634.db2.gz KHZIMPUDQQCNDC-NXEZZACHSA-N -1 0 308.338 -0.289 20 0 DBADRM COC[C@H]1CCN(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC000387712580 972134475 /nfs/dbraw/zinc/13/44/75/972134475.db2.gz OPURBEMEGMSLAN-VIFPVBQESA-N -1 0 309.326 -0.079 20 0 DBADRM C[C@H](Cc1c[nH]cn1)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001589083529 955880936 /nfs/dbraw/zinc/88/09/36/955880936.db2.gz NJQQYNOXXUWFSP-PSASIEDQSA-N -1 0 315.351 -0.702 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001594571538 955884453 /nfs/dbraw/zinc/88/44/53/955884453.db2.gz UZCPXCZPOBWGAI-TVQRCGJNSA-N -1 0 313.379 -0.015 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)c1ccc(C(=O)[O-])nc1)C(N)=O ZINC001589083935 955886064 /nfs/dbraw/zinc/88/60/64/955886064.db2.gz SZKRJBCTLLDTDN-AWEZNQCLSA-N -1 0 317.305 -0.350 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC(C2N=NC(=S)N2C)CC1 ZINC001593904482 955894555 /nfs/dbraw/zinc/89/45/55/955894555.db2.gz HFBUFIDSTXGSJD-QMMMGPOBSA-N -1 0 314.367 -0.091 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ncn(C)n1 ZINC001589086195 955901241 /nfs/dbraw/zinc/90/12/41/955901241.db2.gz HMFWMQOGGJYRBS-UWVGGRQHSA-N -1 0 323.353 -0.294 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(c2nnc(C)s2)CC1 ZINC001593905198 955903930 /nfs/dbraw/zinc/90/39/30/955903930.db2.gz GKIOMJQJXYTGBI-MRVPVSSYSA-N -1 0 300.340 -0.405 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccnn1C ZINC001589086458 955903900 /nfs/dbraw/zinc/90/39/00/955903900.db2.gz NEFUAOWTXXQKBK-NXEZZACHSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)c1ccn(C)n1 ZINC001589086507 955905948 /nfs/dbraw/zinc/90/59/48/955905948.db2.gz ORYDMCYBHHQKSX-QMMMGPOBSA-N -1 0 320.309 -0.483 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(c2nc(C)cc(=O)[nH]2)CC1 ZINC001593905451 955906834 /nfs/dbraw/zinc/90/68/34/955906834.db2.gz ICLJMDQZDAZKPF-JTQLQIEISA-N -1 0 310.310 -0.761 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001593905520 955908162 /nfs/dbraw/zinc/90/81/62/955908162.db2.gz JCKXUBRGQUOYOF-NSHDSACASA-N -1 0 323.305 -0.829 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC001593906016 955913848 /nfs/dbraw/zinc/91/38/48/955913848.db2.gz WSCQMUOBXMROHG-MNOVXSKESA-N -1 0 324.337 -0.760 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC001593906240 955918642 /nfs/dbraw/zinc/91/86/42/955918642.db2.gz RDURHEPLYAGHHM-DTWKUNHWSA-N -1 0 303.311 -0.345 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(C2=NC[C@@H](C)S2)CC1 ZINC001593906510 955922687 /nfs/dbraw/zinc/92/26/87/955922687.db2.gz ZJEWUBHLVZEHQW-RKDXNWHRSA-N -1 0 301.368 -0.279 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001593906838 955928318 /nfs/dbraw/zinc/92/83/18/955928318.db2.gz JYWBCLBATOAPEI-RKDXNWHRSA-N -1 0 305.352 -0.298 20 0 DBADRM Cn1[nH]c(COC(=O)C2(C(=O)[O-])CCSCC2)nc1=O ZINC001594577318 955930079 /nfs/dbraw/zinc/93/00/79/955930079.db2.gz UDLCJMLHWYQORE-UHFFFAOYSA-N -1 0 301.324 -0.250 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC001593906970 955931554 /nfs/dbraw/zinc/93/15/54/955931554.db2.gz MYZGCWHCEULNHO-VIFPVBQESA-N -1 0 322.383 -0.546 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H]1C[C@@H](N2CCOCC2)C1(C)C ZINC001593907115 955934204 /nfs/dbraw/zinc/93/42/04/955934204.db2.gz RQEHYROZGCXEGX-AXFHLTTASA-N -1 0 300.355 -0.299 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001593907244 955935525 /nfs/dbraw/zinc/93/55/25/955935525.db2.gz UKQOWLBIQIIAHB-MRVPVSSYSA-N -1 0 318.326 -0.816 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001593907385 955938165 /nfs/dbraw/zinc/93/81/65/955938165.db2.gz XMYOJYGUNKKRDQ-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC001593907624 955942731 /nfs/dbraw/zinc/94/27/31/955942731.db2.gz JRFDUYYUQGFXLT-SNVBAGLBSA-N -1 0 306.274 -0.502 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCC1CCC(S(C)(=O)=O)CC1 ZINC001593907795 955945322 /nfs/dbraw/zinc/94/53/22/955945322.db2.gz PLKBHZHNFNDSAK-UDNWOFFPSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1nncn1C ZINC001589091619 955946633 /nfs/dbraw/zinc/94/66/33/955946633.db2.gz FDIFNOMWPVHKRH-BDAKNGLRSA-N -1 0 309.326 -0.685 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)c(C)c1 ZINC001593907900 955946789 /nfs/dbraw/zinc/94/67/89/955946789.db2.gz BJGSZZXWHRZRQW-JTQLQIEISA-N -1 0 316.335 -0.642 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCCN1C(=O)COc2ccccc21 ZINC001593908123 955947981 /nfs/dbraw/zinc/94/79/81/955947981.db2.gz SQDLDECHVCLSGI-LBPRGKRZSA-N -1 0 308.290 -0.372 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC001593908305 955951358 /nfs/dbraw/zinc/95/13/58/955951358.db2.gz HVCXORAJBKXGGO-ZETCQYMHSA-N -1 0 308.337 -0.889 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN1CC[C@H](CS(C)(=O)=O)C1 ZINC001594579371 955952351 /nfs/dbraw/zinc/95/23/51/955952351.db2.gz WTCGJUPATULTMI-VIFPVBQESA-N -1 0 301.368 -0.015 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1cccc(S(C)(=O)=O)c1 ZINC001593908688 955953745 /nfs/dbraw/zinc/95/37/45/955953745.db2.gz KRGHCWMCGKICGV-SNVBAGLBSA-N -1 0 301.320 -0.194 20 0 DBADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)[C@H](C)N1CCOCC1 ZINC001589092141 955954903 /nfs/dbraw/zinc/95/49/03/955954903.db2.gz ZWXFFYACTGTBEP-COPLHBTASA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1ccn(C)n1 ZINC001589092282 955956180 /nfs/dbraw/zinc/95/61/80/955956180.db2.gz MTTYHZZKTCOJDB-ZJUUUORDSA-N -1 0 308.338 -0.080 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1cccc(N2CCOCC2)n1 ZINC001593909489 955961298 /nfs/dbraw/zinc/96/12/98/955961298.db2.gz YXPIAJNIHQNQOD-GFCCVEGCSA-N -1 0 309.322 -0.366 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001594580893 955966434 /nfs/dbraw/zinc/96/64/34/955966434.db2.gz HWWZDDHHYPGCOD-ZDUSSCGKSA-N -1 0 307.310 -0.708 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN1CCCN(S(C)(=O)=O)CC1 ZINC001594581226 955971181 /nfs/dbraw/zinc/97/11/81/955971181.db2.gz OGUOMEJGEIYTRU-UHFFFAOYSA-N -1 0 316.383 -0.414 20 0 DBADRM Cn1ncc(C2CC2)c1CNC(=O)c1cn(CC(=O)[O-])nn1 ZINC001594582125 955980180 /nfs/dbraw/zinc/98/01/80/955980180.db2.gz GDAGWIAZCGBTON-UHFFFAOYSA-N -1 0 304.310 -0.096 20 0 DBADRM Cn1ncc(C(F)(F)F)c1C(=O)OCC(=O)NCC(=O)[O-] ZINC001594582127 955980726 /nfs/dbraw/zinc/98/07/26/955980726.db2.gz GDTZPYSQDNVHCL-UHFFFAOYSA-N -1 0 309.200 -0.204 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC001593912735 955984338 /nfs/dbraw/zinc/98/43/38/955984338.db2.gz CPQPXDKJCUQWGI-CYBMUJFWSA-N -1 0 321.333 -0.344 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC001593912881 955986743 /nfs/dbraw/zinc/98/67/43/955986743.db2.gz ONRJKJQLAVZXAA-LLVKDONJSA-N -1 0 308.294 -0.944 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)C1(S(C)(=O)=O)CC1 ZINC001589101332 955997778 /nfs/dbraw/zinc/99/77/78/955997778.db2.gz FBGCLIOTNAVCFI-IUCAKERBSA-N -1 0 320.367 -0.553 20 0 DBADRM Cn1ncc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)cc1=O ZINC001594586330 956000404 /nfs/dbraw/zinc/00/04/04/956000404.db2.gz IHJAKNWRWCVHTL-VIFPVBQESA-N -1 0 308.294 -0.958 20 0 DBADRM Cn1nccc1[C@H](NC(=O)C(=O)Nc1cccnc1)C(=O)[O-] ZINC001594587230 956011938 /nfs/dbraw/zinc/01/19/38/956011938.db2.gz GBMSFUGGAIKZTE-JTQLQIEISA-N -1 0 303.278 -0.304 20 0 DBADRM Cn1nccc1[C@H](NC(=O)C(=O)Nc1cccc(F)n1)C(=O)[O-] ZINC001594587853 956016415 /nfs/dbraw/zinc/01/64/15/956016415.db2.gz NYWALTZIDABJAB-JTQLQIEISA-N -1 0 321.268 -0.165 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)O[C@H]1CCN(C2CCOCC2)C1=O ZINC001593915811 956019976 /nfs/dbraw/zinc/01/99/76/956019976.db2.gz RWMCCWKKKYBPKR-VHSXEESVSA-N -1 0 301.295 -0.591 20 0 DBADRM Cn1nccc1[C@H](NC(=O)c1cc2n(n1)CCC[C@H]2O)C(=O)[O-] ZINC001594589225 956032827 /nfs/dbraw/zinc/03/28/27/956032827.db2.gz IVAZFVNANJWOQS-NEPJUHHUSA-N -1 0 319.321 -0.001 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)c1cc2n(n1)CCC[C@H]2O)C(=O)[O-] ZINC001594589228 956033617 /nfs/dbraw/zinc/03/36/17/956033617.db2.gz IVAZFVNANJWOQS-VXGBXAGGSA-N -1 0 319.321 -0.001 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001593918232 956047568 /nfs/dbraw/zinc/04/75/68/956047568.db2.gz FMFUHGNVPBEVFS-GFCCVEGCSA-N -1 0 322.383 -0.642 20 0 DBADRM Cn1nccc1[C@H](NC(=O)c1ccc(C(N)=O)cn1)C(=O)[O-] ZINC001594590644 956056650 /nfs/dbraw/zinc/05/66/50/956056650.db2.gz VFBKVSSSGIVEEM-JTQLQIEISA-N -1 0 303.278 -0.530 20 0 DBADRM Cn1nnc(CNC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)n1 ZINC001594595971 956087474 /nfs/dbraw/zinc/08/74/74/956087474.db2.gz AHKMPIGZVNCINZ-JVVWGOMOSA-N -1 0 324.341 -0.578 20 0 DBADRM Cn1nccc1[C@@H]1CN(CCS(=O)(=O)CC(=O)[O-])CCO1 ZINC001594596290 956093002 /nfs/dbraw/zinc/09/30/02/956093002.db2.gz CJGYBTJCDVDZLQ-NSHDSACASA-N -1 0 317.367 -0.707 20 0 DBADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)C1(S(C)(=O)=O)CC1 ZINC001589115469 956093196 /nfs/dbraw/zinc/09/31/96/956093196.db2.gz VXEDEKMZMQEOIS-SSDOTTSWSA-N -1 0 315.351 -0.186 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC001593922411 956094271 /nfs/dbraw/zinc/09/42/71/956094271.db2.gz NTAACAVAJJLOQC-SUNKGSAMSA-N -1 0 300.355 -0.466 20 0 DBADRM Cn1nnc2cc(C(=O)Nc3ncn(CC(=O)[O-])n3)cnc21 ZINC001594596818 956101051 /nfs/dbraw/zinc/10/10/51/956101051.db2.gz OTBCDZJSXJZQQF-UHFFFAOYSA-N -1 0 302.254 -0.708 20 0 DBADRM Cn1nccc1CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001594596937 956101191 /nfs/dbraw/zinc/10/11/91/956101191.db2.gz NDMFPVPIDSAKBN-NWDGAFQWSA-N -1 0 320.349 -0.395 20 0 DBADRM Cn1nccc1CC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594597627 956107698 /nfs/dbraw/zinc/10/76/98/956107698.db2.gz YAXWRGHBIGEMTE-LLVKDONJSA-N -1 0 308.338 -0.456 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001593924909 956108086 /nfs/dbraw/zinc/10/80/86/956108086.db2.gz DGLULKQMESTWKD-ISVAXAHUSA-N -1 0 310.310 -0.633 20 0 DBADRM Cn1nnc2ccc(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)cc21 ZINC001594598183 956111754 /nfs/dbraw/zinc/11/17/54/956111754.db2.gz LKALYXHGZGUVQP-UHFFFAOYSA-N -1 0 317.305 -0.663 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC001593925221 956113686 /nfs/dbraw/zinc/11/36/86/956113686.db2.gz NAJCVFXXMYMTFN-PWZJLYFZSA-N -1 0 324.337 -0.480 20 0 DBADRM Cn1nccc1[C@]1(O)C[C@H]2CC[C@@H](C1)N2CC(=O)NCC(=O)[O-] ZINC001594598926 956116936 /nfs/dbraw/zinc/11/69/36/956116936.db2.gz FFEGLFJQMOQSLR-HBYGRHMLSA-N -1 0 322.365 -0.565 20 0 DBADRM Cn1ncnc1CN1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001594598887 956117426 /nfs/dbraw/zinc/11/74/26/956117426.db2.gz DHUJLKQHRVRBOL-JTQLQIEISA-N -1 0 307.354 -0.287 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCC[S@@](=O)CC(F)(F)F ZINC001593925769 956123640 /nfs/dbraw/zinc/12/36/40/956123640.db2.gz GFJPGBGBIAECPZ-WPCRTTGESA-N -1 0 305.274 -0.097 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1([NH+](C)C)CCC1 ZINC001593926279 956131389 /nfs/dbraw/zinc/13/13/89/956131389.db2.gz FQKUAANJWPPJHI-LLVKDONJSA-N -1 0 322.383 -0.594 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N2CCSC[C@@H]2CO)c1 ZINC000388143812 972156810 /nfs/dbraw/zinc/15/68/10/972156810.db2.gz GPTMRCAMKOAEAN-VIFPVBQESA-N -1 0 318.376 -0.122 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc([C@H]2NC(=O)NC2=O)cc1 ZINC001593929397 956155742 /nfs/dbraw/zinc/15/57/42/956155742.db2.gz CUWLLIRUEFQCRP-OTYXRUKQSA-N -1 0 321.289 -0.005 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc([C@H]2NC(=O)NC2=O)cc1 ZINC001593929399 956156014 /nfs/dbraw/zinc/15/60/14/956156014.db2.gz CUWLLIRUEFQCRP-YMTOWFKASA-N -1 0 321.289 -0.005 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)OCC(=O)NC(=O)NCC(C)C ZINC001593929715 956158705 /nfs/dbraw/zinc/15/87/05/956158705.db2.gz DDGROVSJCIYGPZ-GFCCVEGCSA-N -1 0 304.299 -0.499 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC000388194100 972159541 /nfs/dbraw/zinc/15/95/41/972159541.db2.gz BOILPPIZDODMAM-SNVBAGLBSA-N -1 0 309.326 -0.649 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)O[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001593930704 956174527 /nfs/dbraw/zinc/17/45/27/956174527.db2.gz MMXLCBZBZWHAPV-VYUIOLGVSA-N -1 0 303.311 -0.297 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1nnn(Cc2noc(C)n2)c1C ZINC001593931393 956185962 /nfs/dbraw/zinc/18/59/62/956185962.db2.gz SNYSEQICEODRQT-GFCCVEGCSA-N -1 0 324.297 -0.246 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000388254183 972163193 /nfs/dbraw/zinc/16/31/93/972163193.db2.gz IZWJONNTDODNEB-LURJTMIESA-N -1 0 310.353 -0.795 20 0 DBADRM C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1C ZINC001589132201 956210944 /nfs/dbraw/zinc/21/09/44/956210944.db2.gz QAMBWNVEUBCXJB-YUMQZZPRSA-N -1 0 317.371 -0.664 20 0 DBADRM C[C@](O)(CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C1CC1 ZINC001589135328 956221549 /nfs/dbraw/zinc/22/15/49/956221549.db2.gz HNTUQZCKVPNXLQ-SKDRFNHKSA-N -1 0 305.352 -0.752 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N(C)CCC(=O)[O-])[C@H]1CCOC1 ZINC001593938007 956241503 /nfs/dbraw/zinc/24/15/03/956241503.db2.gz AKSJEMZILULFFK-UWVGGRQHSA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@@](O)(CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C1CC1 ZINC001589138177 956243583 /nfs/dbraw/zinc/24/35/83/956243583.db2.gz ITRUXPKVGMCHSR-GFCCVEGCSA-N -1 0 319.379 -0.457 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1cccc(Cl)n1)C(=O)[O-] ZINC001589138253 956244498 /nfs/dbraw/zinc/24/44/98/956244498.db2.gz LNAZWJVNWYMWLZ-NSHDSACASA-N -1 0 301.686 -0.375 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)N1CCc2c1cccc2F)C(=O)[O-] ZINC001589138695 956252271 /nfs/dbraw/zinc/25/22/71/956252271.db2.gz STMRJZRNTGDSPG-CQSZACIVSA-N -1 0 310.281 -0.333 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1cccc(C2CC2)n1)C(=O)[O-] ZINC001589139160 956257784 /nfs/dbraw/zinc/25/77/84/956257784.db2.gz YWPXCNKCBFLEJC-AWEZNQCLSA-N -1 0 307.306 -0.151 20 0 DBADRM CC(C)(C)c1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])nc2ncnn21 ZINC001589143590 956268977 /nfs/dbraw/zinc/26/89/77/956268977.db2.gz ATUFTHBSZAXIQF-CQSZACIVSA-N -1 0 321.337 -0.013 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccc(CS(C)(=O)=O)o1)C(=O)[O-] ZINC001589144338 956275772 /nfs/dbraw/zinc/27/57/72/956275772.db2.gz HJGINXXHKZJVSN-LLVKDONJSA-N -1 0 305.308 -0.610 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccccc1SCC(N)=O)C(=O)[O-] ZINC001589144418 956276909 /nfs/dbraw/zinc/27/69/09/956276909.db2.gz MBYNEAPULIUKQK-CYBMUJFWSA-N -1 0 312.347 -0.171 20 0 DBADRM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC001589146229 956288329 /nfs/dbraw/zinc/28/83/29/956288329.db2.gz FGMUMQHHDMCDTD-ZYGVAYEYSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001589146421 956291096 /nfs/dbraw/zinc/29/10/96/956291096.db2.gz HUSGTWXDUOIFNF-ZMLRMANQSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@](O)(CNC(=O)c1cnn(-c2ccccn2)c1N)C(=O)[O-] ZINC001589146634 956295768 /nfs/dbraw/zinc/29/57/68/956295768.db2.gz HIELHXQTPBULPT-CYBMUJFWSA-N -1 0 305.294 -0.585 20 0 DBADRM C[C@@H](O)C(C)(C)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589146741 956297005 /nfs/dbraw/zinc/29/70/05/956297005.db2.gz MLWICNDHRMWLSB-ZJUUUORDSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](O)C(C)(C)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589146739 956297293 /nfs/dbraw/zinc/29/72/93/956297293.db2.gz MLWICNDHRMWLSB-VHSXEESVSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001589146796 956297775 /nfs/dbraw/zinc/29/77/75/956297775.db2.gz NMVRIIVFFARCRE-QCZKYFFMSA-N -1 0 312.366 -0.169 20 0 DBADRM COC1(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CS(=O)(=O)C1 ZINC001593943671 956302942 /nfs/dbraw/zinc/30/29/42/956302942.db2.gz PPDUSURAWFOKEW-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM CO[C@@]1(C(=O)NC2CCC(C(=O)[O-])CC2)CCS(=O)(=O)C1 ZINC001593943975 956308120 /nfs/dbraw/zinc/30/81/20/956308120.db2.gz USUYVWOMBIJCBF-ZPPKWKGLSA-N -1 0 319.379 -0.050 20 0 DBADRM CO[C@@]1(C(=O)Nc2cc(C(=O)[O-])ccn2)CCS(=O)(=O)C1 ZINC001593943931 956308265 /nfs/dbraw/zinc/30/82/65/956308265.db2.gz ULEMAAWFNVVWFJ-LBPRGKRZSA-N -1 0 314.319 -0.078 20 0 DBADRM C[C@](O)(CNC(=O)c1ncc(Br)cn1)C(=O)[O-] ZINC001589147535 956309571 /nfs/dbraw/zinc/30/95/71/956309571.db2.gz VICGWQFWPXKTIM-VIFPVBQESA-N -1 0 304.100 -0.196 20 0 DBADRM COC(OC)C(=O)N1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1 ZINC001593944206 956311612 /nfs/dbraw/zinc/31/16/12/956311612.db2.gz AVPZIZOFRUIJMJ-OTYXRUKQSA-N -1 0 314.338 -0.613 20 0 DBADRM COC(OC)C(=O)N1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001593945478 956322003 /nfs/dbraw/zinc/32/20/03/956322003.db2.gz XOFRTYCIFAONHU-NXEZZACHSA-N -1 0 314.338 -0.613 20 0 DBADRM C[C@H](O)CN(C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)[C@@H](C)CO ZINC001589152208 956331733 /nfs/dbraw/zinc/33/17/33/956331733.db2.gz KZUUMBMNDUXZRL-BJDJZHNGSA-N -1 0 303.355 -0.154 20 0 DBADRM CO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1(C)C ZINC001593946983 956338997 /nfs/dbraw/zinc/33/89/97/956338997.db2.gz NLQYNBOVHVVUDE-DTWKUNHWSA-N -1 0 324.337 -0.164 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CCO1 ZINC001589153404 956349363 /nfs/dbraw/zinc/34/93/63/956349363.db2.gz STXGMKDUMUODIQ-YFKTTZPYSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@@H](O)c1cn(C2CN(C(=O)[C@@]3(C(=O)[O-])CCCO3)C2)nn1 ZINC001589154430 956364443 /nfs/dbraw/zinc/36/44/43/956364443.db2.gz UQEUBSRTKCYEBL-AMIZOPFISA-N -1 0 310.310 -0.652 20 0 DBADRM C[C@H](O)c1cn(CC(=O)NCC2(C(=O)[O-])CCOCC2)nn1 ZINC001589154771 956367820 /nfs/dbraw/zinc/36/78/20/956367820.db2.gz ZUJOMORRUIWICG-VIFPVBQESA-N -1 0 312.326 -0.671 20 0 DBADRM C[C@@H](OC(=O)C(C)(C)C(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001589158192 956380588 /nfs/dbraw/zinc/38/05/88/956380588.db2.gz CRFROSHUNOXELZ-SFYZADRCSA-N -1 0 321.351 -0.668 20 0 DBADRM CO[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCO1 ZINC001593951352 956389784 /nfs/dbraw/zinc/38/97/84/956389784.db2.gz NVLPONUEYMHQRX-JTQLQIEISA-N -1 0 302.327 -0.118 20 0 DBADRM NC(=O)C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001594638263 956391431 /nfs/dbraw/zinc/39/14/31/956391431.db2.gz FTPYXJNYKSVMQH-ZJUUUORDSA-N -1 0 319.383 -0.632 20 0 DBADRM C[C@H](OC(=O)[C@@H](C)C(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC001589159116 956391706 /nfs/dbraw/zinc/39/17/06/956391706.db2.gz RBMCSUVWEGQFCI-YUMQZZPRSA-N -1 0 300.311 -0.624 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)O1 ZINC001594638307 956392855 /nfs/dbraw/zinc/39/28/55/956392855.db2.gz NDKKTIJDDMEQAM-MMWGEVLESA-N -1 0 314.338 -0.595 20 0 DBADRM NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)NCC(=O)[O-] ZINC001594638540 956393854 /nfs/dbraw/zinc/39/38/54/956393854.db2.gz LQMZHUCAGOAPPG-SECBINFHSA-N -1 0 311.269 -1.000 20 0 DBADRM NC(=O)C[C@H]1CCCN(C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC001594638507 956393935 /nfs/dbraw/zinc/39/39/35/956393935.db2.gz JXGOAGMLVBOQLT-SNVBAGLBSA-N -1 0 313.354 -0.529 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)NCCN1CCOCC1 ZINC001589159385 956394833 /nfs/dbraw/zinc/39/48/33/956394833.db2.gz SOLUWZFCDZOIAD-ZJUUUORDSA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@H](OC(=O)[C@@H](C)C(=O)[O-])C(=O)NCCN1CCOCC1 ZINC001589159383 956395127 /nfs/dbraw/zinc/39/51/27/956395127.db2.gz SOLUWZFCDZOIAD-UWVGGRQHSA-N -1 0 302.327 -0.913 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)OCCc2cn(CC(=O)[O-])nn2)C1 ZINC001594638796 956396889 /nfs/dbraw/zinc/39/68/89/956396889.db2.gz SJSOMVNQTXQRPW-ZJUUUORDSA-N -1 0 324.337 -0.260 20 0 DBADRM NC(=O)C[C@@H]1CCCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001594639215 956401740 /nfs/dbraw/zinc/40/17/40/956401740.db2.gz RUJXOGCSTDLZFJ-JTQLQIEISA-N -1 0 321.333 -0.340 20 0 DBADRM C[C@@H](OC(=O)c1cc(C(=O)[O-])nn1C)C(=O)N1CCOCC1 ZINC001589160527 956407942 /nfs/dbraw/zinc/40/79/42/956407942.db2.gz OUFLQZWPVHMSTC-MRVPVSSYSA-N -1 0 311.294 -0.478 20 0 DBADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])nc1)C(=O)N1CCNC1=O ZINC001589160727 956409996 /nfs/dbraw/zinc/40/99/96/956409996.db2.gz UIMHJCSWNKGVCA-SSDOTTSWSA-N -1 0 307.262 -0.123 20 0 DBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)COCC(=O)[O-])c1 ZINC001594640021 956410207 /nfs/dbraw/zinc/41/02/07/956410207.db2.gz WTPLRYVOIIJKQE-UHFFFAOYSA-N -1 0 323.305 -0.669 20 0 DBADRM NC(=O)COC1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001594640902 956418808 /nfs/dbraw/zinc/41/88/08/956418808.db2.gz CKEWEGRNEWPHKM-UHFFFAOYSA-N -1 0 314.338 -0.639 20 0 DBADRM NC(=O)CN1CCC(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001594640915 956418970 /nfs/dbraw/zinc/41/89/70/956418970.db2.gz DKLHNABHXYLXEB-OAHLLOKOSA-N -1 0 309.366 -0.137 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)CC1 ZINC001594641678 956426552 /nfs/dbraw/zinc/42/65/52/956426552.db2.gz XXVPSVLMNGAKNQ-UPHRSURJSA-N -1 0 307.306 -0.380 20 0 DBADRM NC(=O)Cc1occc1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001594642233 956428657 /nfs/dbraw/zinc/42/86/57/956428657.db2.gz JHAUCEOPGKUFIF-QMMMGPOBSA-N -1 0 310.262 -0.850 20 0 DBADRM NC(=O)COc1cccc(CNC(=O)c2cc(C(=O)[O-])n[nH]2)c1 ZINC001594642468 956429799 /nfs/dbraw/zinc/42/97/99/956429799.db2.gz QYNIDYHSBGJVFJ-UHFFFAOYSA-N -1 0 318.289 -0.098 20 0 DBADRM NC(=O)Cc1occc1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594642323 956429939 /nfs/dbraw/zinc/42/99/39/956429939.db2.gz NQBXRKRKBRFJKL-RTHLEPHNSA-N -1 0 308.290 -0.519 20 0 DBADRM NC(=O)Cn1ccc(NC(=O)C2(C(=O)[O-])CCSCC2)n1 ZINC001594644252 956432604 /nfs/dbraw/zinc/43/26/04/956432604.db2.gz AEWYPQKMIBWJOE-UHFFFAOYSA-N -1 0 312.351 -0.095 20 0 DBADRM NC(=O)N1CCC[C@H](CNC(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001594644242 956432630 /nfs/dbraw/zinc/43/26/30/956432630.db2.gz AABJSUDMXBAOCU-SNVBAGLBSA-N -1 0 313.354 -0.225 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001594644646 956434589 /nfs/dbraw/zinc/43/45/89/956434589.db2.gz IMXQKSQLDNIQFM-BDAKNGLRSA-N -1 0 313.310 -0.994 20 0 DBADRM NC(=O)Cn1cc(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)cn1 ZINC001594645106 956436192 /nfs/dbraw/zinc/43/61/92/956436192.db2.gz NIKTWPLUPLTGSR-WPRPVWTQSA-N -1 0 310.310 -0.423 20 0 DBADRM NC(=O)Cn1cc(NC(=O)N2CCC[C@@H]2C(=O)[O-])ccc1=O ZINC001594645864 956438328 /nfs/dbraw/zinc/43/83/28/956438328.db2.gz WOVVIAGJCYVADY-SECBINFHSA-N -1 0 308.294 -0.586 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001594648055 956450723 /nfs/dbraw/zinc/45/07/23/956450723.db2.gz QDFVECIWGJZVMD-IVZWLZJFSA-N -1 0 311.338 -0.920 20 0 DBADRM COC[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])[C@@H]1CCCOC1 ZINC001593957787 956451472 /nfs/dbraw/zinc/45/14/72/956451472.db2.gz ZDOURFDJGFVIMV-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CCC(C(=O)[O-])CC1)OC ZINC001593958063 956456490 /nfs/dbraw/zinc/45/64/90/956456490.db2.gz OIUVQCSILVPXIT-JTQLQIEISA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@@H](CO)NC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001593958145 956457824 /nfs/dbraw/zinc/45/78/24/956457824.db2.gz PWHZQXNWBJETOH-JXRVJTEKSA-N -1 0 316.354 -0.295 20 0 DBADRM COCC1(C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])CCOCC1 ZINC001593958679 956464380 /nfs/dbraw/zinc/46/43/80/956464380.db2.gz HZPFRECYADITPW-JTQLQIEISA-N -1 0 317.338 -0.048 20 0 DBADRM NC(=O)c1ccc(C(=O)NCCOCCOCC(=O)[O-])cc1 ZINC001594650027 956466842 /nfs/dbraw/zinc/46/68/42/956466842.db2.gz XLYKMGMTIOCTHZ-UHFFFAOYSA-N -1 0 310.306 -0.367 20 0 DBADRM NC(=O)c1cccc(C(=O)NCCOCCOCC(=O)[O-])n1 ZINC001594650151 956468447 /nfs/dbraw/zinc/46/84/47/956468447.db2.gz RPZGMEPCNXMPSU-UHFFFAOYSA-N -1 0 311.294 -0.972 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@H]2CCOC2)C1 ZINC001593959153 956469390 /nfs/dbraw/zinc/46/93/90/956469390.db2.gz SBUVFBSGELPYQT-QMTHXVAHSA-N -1 0 314.338 -0.911 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H]2CCOC2)C1 ZINC001593959150 956469440 /nfs/dbraw/zinc/46/94/40/956469440.db2.gz SBUVFBSGELPYQT-HZMBPMFUSA-N -1 0 314.338 -0.911 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@H]2CCOC2)C1 ZINC001593959155 956469567 /nfs/dbraw/zinc/46/95/67/956469567.db2.gz SBUVFBSGELPYQT-YGRLFVJLSA-N -1 0 314.338 -0.911 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@H](F)C2)C1 ZINC001593959243 956470783 /nfs/dbraw/zinc/47/07/83/956470783.db2.gz UXWAGOPADLIASS-IINYFYTJSA-N -1 0 316.329 -0.103 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC001593959727 956474604 /nfs/dbraw/zinc/47/46/04/956474604.db2.gz CYNBIMATJJKMFG-HONMWMINSA-N -1 0 300.355 -0.609 20 0 DBADRM NC(=O)c1cn(CCCCNC(=O)[C@H](C(=O)[O-])C2CC2)nn1 ZINC001594653136 956484380 /nfs/dbraw/zinc/48/43/80/956484380.db2.gz FXKZLDIJUYYFCL-SNVBAGLBSA-N -1 0 309.326 -0.616 20 0 DBADRM NC(=O)c1cnc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC001594653483 956487364 /nfs/dbraw/zinc/48/73/64/956487364.db2.gz NUUAQXHLZQDOIF-RXMQYKEDSA-N -1 0 300.296 -0.441 20 0 DBADRM NC(=O)c1cn(CCCCNC(=O)C2(CC(=O)[O-])CCC2)nn1 ZINC001594653622 956488937 /nfs/dbraw/zinc/48/89/37/956488937.db2.gz RIAOVGWSUWRSFL-UHFFFAOYSA-N -1 0 323.353 -0.082 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001594653760 956490321 /nfs/dbraw/zinc/49/03/21/956490321.db2.gz FCCZCJHKSJJYQP-SECBINFHSA-N -1 0 314.323 -0.326 20 0 DBADRM NC(=O)c1ncc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC001594653852 956491452 /nfs/dbraw/zinc/49/14/52/956491452.db2.gz YGSYGCXSVJCKQL-YFKPBYRVSA-N -1 0 300.296 -0.441 20 0 DBADRM NC(=O)c1cnc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)s1 ZINC001594653860 956491565 /nfs/dbraw/zinc/49/15/65/956491565.db2.gz YVZZRUSSGXTPQT-JTQLQIEISA-N -1 0 300.296 -0.393 20 0 DBADRM NC(=O)c1ncc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC001594653851 956491618 /nfs/dbraw/zinc/49/16/18/956491618.db2.gz YGSYGCXSVJCKQL-RXMQYKEDSA-N -1 0 300.296 -0.441 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC001594653986 956492493 /nfs/dbraw/zinc/49/24/93/956492493.db2.gz IJITYHNUQRJRJM-WPRPVWTQSA-N -1 0 304.368 -0.376 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001594654222 956493846 /nfs/dbraw/zinc/49/38/46/956493846.db2.gz MHTCSAQDTBNWAT-VIFPVBQESA-N -1 0 320.367 -0.853 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC001594654818 956499636 /nfs/dbraw/zinc/49/96/36/956499636.db2.gz ZQOBXSRBICIOEL-UHFFFAOYSA-N -1 0 314.319 -0.737 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])ccn1 ZINC001594654861 956499813 /nfs/dbraw/zinc/49/98/13/956499813.db2.gz BTIAAXZUNSHDEL-VIFPVBQESA-N -1 0 313.335 -0.192 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001593962936 956508111 /nfs/dbraw/zinc/50/81/11/956508111.db2.gz VCJWHRLFRZFTLR-HNNXBMFYSA-N -1 0 323.349 -0.190 20 0 DBADRM NS(=O)(=O)Cc1cccc(NC(=O)COCC(=O)[O-])c1 ZINC001594658207 956512759 /nfs/dbraw/zinc/51/27/59/956512759.db2.gz ZNMXFGLXMLYZTQ-UHFFFAOYSA-N -1 0 302.308 -0.485 20 0 DBADRM NS(=O)(=O)c1ccc(Cc2nc(CC(=O)[O-])no2)s1 ZINC001594659181 956517655 /nfs/dbraw/zinc/51/76/55/956517655.db2.gz DMRJIQALSQZEFA-UHFFFAOYSA-N -1 0 303.321 -0.004 20 0 DBADRM NS(=O)(=O)c1cnn(CC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC001594661713 956544202 /nfs/dbraw/zinc/54/42/02/956544202.db2.gz YTAJEBMMUUGOBX-UHFFFAOYSA-N -1 0 324.318 -0.133 20 0 DBADRM C[C@@H](c1nnc(N2CC[C@H](C(=O)[O-])C2)n1C)S(C)(=O)=O ZINC001589182959 956544729 /nfs/dbraw/zinc/54/47/29/956544729.db2.gz WFDQUUQRIIFEKJ-YUMQZZPRSA-N -1 0 302.356 -0.168 20 0 DBADRM Nc1c(C(=O)OCC(=O)NCC(=O)[O-])cnn1-c1ccccn1 ZINC001594662690 956545353 /nfs/dbraw/zinc/54/53/53/956545353.db2.gz AHDDSYYTVUWYDA-UHFFFAOYSA-N -1 0 319.277 -0.793 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](O)[C@@H](F)C2)C1 ZINC001589187194 956563912 /nfs/dbraw/zinc/56/39/12/956563912.db2.gz MYKYAQOMCGMVSW-RWEMILLDSA-N -1 0 302.302 -0.759 20 0 DBADRM Nc1ncnc2c1ncn2CCNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001594664944 956564073 /nfs/dbraw/zinc/56/40/73/956564073.db2.gz IFJKFSUKEMQXGX-QMMMGPOBSA-N -1 0 304.310 -0.365 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)C1 ZINC001589187303 956565953 /nfs/dbraw/zinc/56/59/53/956565953.db2.gz PQRGSTNTJZWGAX-PRHODGIISA-N -1 0 320.292 -0.462 20 0 DBADRM Nc1ncn(CC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)n1 ZINC001594665094 956566227 /nfs/dbraw/zinc/56/62/27/956566227.db2.gz PGQOJHOQMDRXAQ-XQVHRTOBSA-N -1 0 309.326 -0.611 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)C1 ZINC001593967347 956569224 /nfs/dbraw/zinc/56/92/24/956569224.db2.gz GEMCEFLLAHFEBP-JTNHKYCSSA-N -1 0 324.337 -0.463 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](n3cccn3)C2)C1 ZINC001589187592 956569557 /nfs/dbraw/zinc/56/95/57/956569557.db2.gz WPNREMGFAJMIAV-ABAIWWIYSA-N -1 0 320.349 -0.020 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCO[C@H]2CCOC2)C1 ZINC001589187743 956570901 /nfs/dbraw/zinc/57/09/01/956570901.db2.gz HHWDVPKYAJMEFZ-HZMBPMFUSA-N -1 0 314.338 -0.769 20 0 DBADRM Nc1ccccc1S(=O)(=O)NCC(=O)NCCCC(=O)[O-] ZINC001594665530 956571343 /nfs/dbraw/zinc/57/13/43/956571343.db2.gz FRAUMOUALDCYCM-UHFFFAOYSA-N -1 0 315.351 -0.472 20 0 DBADRM Nc1nc(C2CC2)nc(N2CCN(C(=O)CCC(=O)[O-])CC2)n1 ZINC001594666547 956581037 /nfs/dbraw/zinc/58/10/37/956581037.db2.gz PQQWPVWFRWDFJJ-UHFFFAOYSA-N -1 0 320.353 -0.155 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCn2ccnc2)C1 ZINC001593968091 956583557 /nfs/dbraw/zinc/58/35/57/956583557.db2.gz ODBBOKHSLQEXRD-GFCCVEGCSA-N -1 0 317.367 -0.364 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(Cn2nc3n(c2=O)CCCC3)C1 ZINC001593968252 956584813 /nfs/dbraw/zinc/58/48/13/956584813.db2.gz ROSAKCLFPZUZAQ-CQSZACIVSA-N -1 0 310.354 -0.238 20 0 DBADRM Nc1nnc(CC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])s1 ZINC001594667543 956591322 /nfs/dbraw/zinc/59/13/22/956591322.db2.gz LSTURQBVUSCUDN-MRVPVSSYSA-N -1 0 307.335 -0.130 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C(C)(C)OC(C)=O)CCO1 ZINC001593969602 956592576 /nfs/dbraw/zinc/59/25/76/956592576.db2.gz AFEYBJUCGCACMR-ZDUSSCGKSA-N -1 0 303.311 -0.343 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@H]1CCc3nncn3C1)C2 ZINC001594667666 956593603 /nfs/dbraw/zinc/59/36/03/956593603.db2.gz LLKFPQNCIKZKJN-IMSIIYSGSA-N -1 0 306.322 -0.600 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CCS(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC000388896303 972197513 /nfs/dbraw/zinc/19/75/13/972197513.db2.gz LVLIRDXCYDCQTD-DTWKUNHWSA-N -1 0 313.397 -0.597 20 0 DBADRM O=C([O-])c1ccc(/C=C\C(=O)N[C@H](CO)CN2CCOCC2)o1 ZINC001594669646 956607273 /nfs/dbraw/zinc/60/72/73/956607273.db2.gz FKAIJUXGKUMUKK-MORRKMRCSA-N -1 0 324.333 -0.200 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCCC2(O)CCC2)CCO1 ZINC001593970591 956608384 /nfs/dbraw/zinc/60/83/84/956608384.db2.gz LCIAWZHBDTYVEU-CQSZACIVSA-N -1 0 316.354 -0.197 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCCC2(O)CCC2)CCO1 ZINC001593970590 956608435 /nfs/dbraw/zinc/60/84/35/956608435.db2.gz LCIAWZHBDTYVEU-AWEZNQCLSA-N -1 0 316.354 -0.197 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCC(C)(C)OC)CCO1 ZINC001593970842 956612530 /nfs/dbraw/zinc/61/25/30/956612530.db2.gz MVVFMAXWLLZXQH-CYBMUJFWSA-N -1 0 304.343 -0.077 20 0 DBADRM O=C([O-])c1ccc(/C=C\C(=O)NC[C@]2(CO)COCCN2)o1 ZINC001594670218 956613877 /nfs/dbraw/zinc/61/38/77/956613877.db2.gz OUCAUHJQQDYZFG-XBPVQUQDSA-N -1 0 310.306 -0.542 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C2CCN(OC)CC2)CCO1 ZINC001593971153 956617246 /nfs/dbraw/zinc/61/72/46/956617246.db2.gz FFQOQKCKPPRPFQ-AWEZNQCLSA-N -1 0 316.354 -0.412 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CN(C)C(=O)C2CC2)CCO1 ZINC001593973661 956644279 /nfs/dbraw/zinc/64/42/79/956644279.db2.gz KULWNHJEUAMLJE-AWEZNQCLSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@]1(C(N)=O)CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC001589203330 956647052 /nfs/dbraw/zinc/64/70/52/956647052.db2.gz LOKSJTKBKOERHN-KBPBESRZSA-N -1 0 311.338 -0.967 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CCO1 ZINC001593974452 956651529 /nfs/dbraw/zinc/65/15/29/956651529.db2.gz QJDJFNYBHBIZRW-RISCZKNCSA-N -1 0 318.345 -0.251 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H](C)[C@H]2CCC(=O)N2)CCO1 ZINC001593976066 956664821 /nfs/dbraw/zinc/66/48/21/956664821.db2.gz UMXOVGZDURSQHG-RBZYPMLTSA-N -1 0 314.338 -0.770 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@H]2CCO[C@@H]21 ZINC001589206728 956670611 /nfs/dbraw/zinc/67/06/11/956670611.db2.gz KGJUHBHRCIVKKX-ILAIQSSSSA-N -1 0 310.350 -0.105 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2c[nH]c(C(N)=O)c2)CCO1 ZINC001593976898 956673303 /nfs/dbraw/zinc/67/33/03/956673303.db2.gz GQPBUYKMQUPUMT-ZDUSSCGKSA-N -1 0 311.294 -0.944 20 0 DBADRM CC1(C)[C@H](NC(=O)NCCOCCOCC(=O)[O-])C[C@@H]1O ZINC001589210112 956682095 /nfs/dbraw/zinc/68/20/95/956682095.db2.gz WEMZSHJMXQUFBX-ZJUUUORDSA-N -1 0 304.343 -0.437 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H](NC=O)C(C)C)CCO1 ZINC001593978503 956687317 /nfs/dbraw/zinc/68/73/17/956687317.db2.gz TUAJTTWIQWVTHH-GWCFXTLKSA-N -1 0 302.327 -0.914 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cc(C=O)n(C)c2)CCO1 ZINC001593979588 956703332 /nfs/dbraw/zinc/70/33/32/956703332.db2.gz CYBYYNHHXFYHHV-AWEZNQCLSA-N -1 0 310.306 -0.220 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cc(OC)ncn2)CCO1 ZINC001593979594 956703528 /nfs/dbraw/zinc/70/35/28/956703528.db2.gz DAXBBGUOXMQSIA-CYBMUJFWSA-N -1 0 311.294 -0.573 20 0 DBADRM O=C([O-])C1(C(=O)NCCC(=O)N2CCOCC2)CCOCC1 ZINC001594684792 956704816 /nfs/dbraw/zinc/70/48/16/956704816.db2.gz BQXZFQBXYRIMLN-UHFFFAOYSA-N -1 0 314.338 -0.767 20 0 DBADRM O=C(CCN1CCOC1=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001594685082 956707477 /nfs/dbraw/zinc/70/74/77/956707477.db2.gz MHGOYUCFFMAEQD-UHFFFAOYSA-N -1 0 324.293 -0.108 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cc3ncccn3n2)CCO1 ZINC001593981028 956713508 /nfs/dbraw/zinc/71/35/08/956713508.db2.gz VTNBWMLTFMYASA-AWEZNQCLSA-N -1 0 320.305 -0.329 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CCN1C(=O)CCNC1=S ZINC001594686909 956717669 /nfs/dbraw/zinc/71/76/69/956717669.db2.gz TWVVZMZIPWLDDE-BDAKNGLRSA-N -1 0 313.379 -0.147 20 0 DBADRM COC[C@]1(C(=O)[O-])CN([C@@H](C)C(=O)NCC(C)C)CCO1 ZINC001593982815 956724309 /nfs/dbraw/zinc/72/43/09/956724309.db2.gz JHQMPRXVCHPMON-FZMZJTMJSA-N -1 0 302.371 -0.051 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2ccnc3ccnn32)CCO1 ZINC001593982871 956724991 /nfs/dbraw/zinc/72/49/91/956724991.db2.gz JYDZATRWUPHGGI-CQSZACIVSA-N -1 0 320.305 -0.329 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001589217048 956729867 /nfs/dbraw/zinc/72/98/67/956729867.db2.gz DAMSBMHDXQFQAM-VXGBXAGGSA-N -1 0 305.352 -0.847 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCC(=O)NCc2ccccn2)[nH]n1 ZINC001594688430 956730302 /nfs/dbraw/zinc/73/03/02/956730302.db2.gz HSARQONEHSSMOO-UHFFFAOYSA-N -1 0 317.305 -0.061 20 0 DBADRM COCC1(S(=O)(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)CC1 ZINC001593983862 956738447 /nfs/dbraw/zinc/73/84/47/956738447.db2.gz LLRHQYGBMNXEKY-LBPRGKRZSA-N -1 0 323.367 -0.703 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2cc(C)nc3ncnn32)CCO1 ZINC001593984034 956742693 /nfs/dbraw/zinc/74/26/93/956742693.db2.gz DWDNZMWDOPCTDS-ZDUSSCGKSA-N -1 0 307.310 -0.261 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001589218770 956748472 /nfs/dbraw/zinc/74/84/72/956748472.db2.gz YEVPHEOJQQMHHN-LBPRGKRZSA-N -1 0 304.368 -0.505 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2CCC2CC2)CCO1 ZINC001593984382 956748689 /nfs/dbraw/zinc/74/86/89/956748689.db2.gz ILHSFABQRPNFTR-ZDUSSCGKSA-N -1 0 311.342 -0.220 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2csc(=O)[nH]2)CCO1 ZINC001593984435 956750034 /nfs/dbraw/zinc/75/00/34/956750034.db2.gz XHXJOGMYDSCQGY-NSHDSACASA-N -1 0 302.308 -0.209 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CC(=O)N[C@H](C)C(C)C)CCO1 ZINC001593985378 956766718 /nfs/dbraw/zinc/76/67/18/956766718.db2.gz GCTZJPJBVZTXJE-RISCZKNCSA-N -1 0 302.371 -0.051 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CN1CCS(=O)(=O)CC1 ZINC001594695912 956771118 /nfs/dbraw/zinc/77/11/18/956771118.db2.gz GNVQBZDJGDLEPD-ZJUUUORDSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])[C@@]1(NCC(=O)NC(=O)NCC(F)(F)F)CCOC1 ZINC001594697091 956780115 /nfs/dbraw/zinc/78/01/15/956780115.db2.gz QRDTXNDTZWKLKL-SECBINFHSA-N -1 0 313.232 -0.792 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@H](O)C[C@](C)(O)C2CC2)CCO1 ZINC001593986419 956789983 /nfs/dbraw/zinc/78/99/83/956789983.db2.gz WIOSDGRYEGJKLV-SNPRPXQTSA-N -1 0 317.382 -0.300 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CCNC(=O)CO)C[C@H]1c1ccccc1 ZINC001594697890 956792316 /nfs/dbraw/zinc/79/23/16/956792316.db2.gz RPSSGALGWUZRTD-QWHCGFSZSA-N -1 0 320.345 -0.188 20 0 DBADRM O=C([O-])C1(C(=O)OCC(=O)[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC001594698317 956796175 /nfs/dbraw/zinc/79/61/75/956796175.db2.gz DYJBRQKOWPBWDY-MRVPVSSYSA-N -1 0 304.320 -0.212 20 0 DBADRM COCC1(C2CC2)CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001593986701 956796606 /nfs/dbraw/zinc/79/66/06/956796606.db2.gz GPNGPVQBRASUDU-HOMQSWHASA-N -1 0 310.350 -0.149 20 0 DBADRM CC1(C)CCN(CN2C[C@@H](C(=O)[O-])CC2=O)CCS1(=O)=O ZINC001589226455 956801585 /nfs/dbraw/zinc/80/15/85/956801585.db2.gz VDOTUKRSOHRDRD-JTQLQIEISA-N -1 0 318.395 -0.224 20 0 DBADRM COCC1(CS(=O)(=O)N2CCOC[C@H]2C(=O)[O-])CCC1 ZINC001593987491 956802153 /nfs/dbraw/zinc/80/21/53/956802153.db2.gz AVOYQXNPZDGIDR-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM COCC1(CS(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])CCC1 ZINC001593987492 956802491 /nfs/dbraw/zinc/80/24/91/956802491.db2.gz AVOYQXNPZDGIDR-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)[C@H](OC)C(=O)[O-])O1 ZINC001593988712 956810613 /nfs/dbraw/zinc/81/06/13/956810613.db2.gz KNXZGSOXRHJRQL-YFKTTZPYSA-N -1 0 317.338 -0.493 20 0 DBADRM CC1(C)CN(C(=O)NCCOCCOCC(=O)[O-])CC[C@H]1O ZINC001589229365 956813274 /nfs/dbraw/zinc/81/32/74/956813274.db2.gz DOLGNOWMMFPIIT-LLVKDONJSA-N -1 0 318.370 -0.093 20 0 DBADRM CC1(C)CN(C(=O)NCCOCCOCC(=O)[O-])CC[C@@H]1O ZINC001589229366 956813941 /nfs/dbraw/zinc/81/39/41/956813941.db2.gz DOLGNOWMMFPIIT-NSHDSACASA-N -1 0 318.370 -0.093 20 0 DBADRM CC1(C)COCCN1CCNC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001589233781 956841093 /nfs/dbraw/zinc/84/10/93/956841093.db2.gz MTZMYCIJEJUAPW-CQSZACIVSA-N -1 0 300.355 -0.153 20 0 DBADRM COCC[C@@]1(NC(=O)c2cccn(CC(=O)[O-])c2=O)CCOC1 ZINC001593990876 956843450 /nfs/dbraw/zinc/84/34/50/956843450.db2.gz IRCBZWJXJKHBNA-OAHLLOKOSA-N -1 0 324.333 -0.142 20 0 DBADRM COCC[C@@H]1COCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593992966 956854852 /nfs/dbraw/zinc/85/48/52/956854852.db2.gz LRTFTXIBLOTMLF-MNOVXSKESA-N -1 0 322.383 -0.483 20 0 DBADRM COCCCNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593994391 956866497 /nfs/dbraw/zinc/86/64/97/956866497.db2.gz AFKUUPZCYNBJKW-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM C[C@]1(CC(=O)NC2(C(=O)[O-])CCOCC2)CCS(=O)(=O)N1 ZINC001589240364 956878320 /nfs/dbraw/zinc/87/83/20/956878320.db2.gz RPZILIFFWMFPLQ-LLVKDONJSA-N -1 0 320.367 -0.792 20 0 DBADRM COCCCn1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC001593995297 956882446 /nfs/dbraw/zinc/88/24/46/956882446.db2.gz QIQWESMGQLMBNF-JTQLQIEISA-N -1 0 324.337 -0.066 20 0 DBADRM CC1(C)OCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001589240760 956884150 /nfs/dbraw/zinc/88/41/50/956884150.db2.gz XTMXGCHCZSQMKA-VHSXEESVSA-N -1 0 314.338 -0.770 20 0 DBADRM CC1(C)OCC(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CO1 ZINC001589240836 956886346 /nfs/dbraw/zinc/88/63/46/956886346.db2.gz ZFGPMDWMNHAUFU-SNVBAGLBSA-N -1 0 314.338 -0.423 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCCO1 ZINC001589241070 956887905 /nfs/dbraw/zinc/88/79/05/956887905.db2.gz GHYVKKYTTDRFFK-ZDUSSCGKSA-N -1 0 310.310 -0.409 20 0 DBADRM O=C(Cc1nnc(C2CCOCC2)[nH]1)N[C@@]1(C(=O)[O-])CCOC1 ZINC001594712971 956900098 /nfs/dbraw/zinc/90/00/98/956900098.db2.gz ROHFKKIYRPWGLG-AWEZNQCLSA-N -1 0 324.337 -0.399 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001594714898 956916744 /nfs/dbraw/zinc/91/67/44/956916744.db2.gz QTMKZGALUYIOHW-ZJUUUORDSA-N -1 0 308.338 -0.249 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cccnc1OC ZINC001594000325 956924356 /nfs/dbraw/zinc/92/43/56/956924356.db2.gz SMMZJXXHHQZZRX-UHFFFAOYSA-N -1 0 304.324 -0.188 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC001594001466 956933222 /nfs/dbraw/zinc/93/32/22/956933222.db2.gz RFLZUPJGOBYVCR-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001594001775 956934186 /nfs/dbraw/zinc/93/41/86/956934186.db2.gz VJQITYIFCHLRNO-MXWKQRLJSA-N -1 0 314.338 -0.628 20 0 DBADRM CC1(Cn2cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)nn2)COC1 ZINC001589247608 956946026 /nfs/dbraw/zinc/94/60/26/956946026.db2.gz PPSGLGHOZVKBKG-JTQLQIEISA-N -1 0 310.310 -0.760 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001594004685 956951688 /nfs/dbraw/zinc/95/16/88/956951688.db2.gz DKWXRRNUHORFPC-WOPDTQHZSA-N -1 0 316.354 -0.077 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NC[C@]1(OC)CCOC1 ZINC001594005042 956959110 /nfs/dbraw/zinc/95/91/10/956959110.db2.gz MRWIMDZQEDLMKG-CYBMUJFWSA-N -1 0 304.343 -0.075 20 0 DBADRM CC1(S(=O)(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001589252568 956961965 /nfs/dbraw/zinc/96/19/65/956961965.db2.gz KBUATDZSELFVDI-VIFPVBQESA-N -1 0 304.368 -0.076 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1ccc2nnnn2c1 ZINC001594719724 956964293 /nfs/dbraw/zinc/96/42/93/956964293.db2.gz WOGHMQNZNVYNKT-NSHDSACASA-N -1 0 312.289 -0.055 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC001594005751 956971418 /nfs/dbraw/zinc/97/14/18/956971418.db2.gz XYVUYWJKZLTJBZ-LLVKDONJSA-N -1 0 301.343 -0.260 20 0 DBADRM C[C@]12COC[C@@H]1CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C2 ZINC001589254417 956979804 /nfs/dbraw/zinc/97/98/04/956979804.db2.gz IASYXEKGHHZEAD-RWSFTLGLSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C2 ZINC001589254388 956980037 /nfs/dbraw/zinc/98/00/37/956980037.db2.gz HSCCDBAQIIMMRF-OTYXRUKQSA-N -1 0 322.321 -0.599 20 0 DBADRM C[C@]12CN(C(=O)[C@]3(C(=O)[O-])CCCO3)C[C@]1(C)C(=O)NC2=O ZINC001589254951 956982765 /nfs/dbraw/zinc/98/27/65/956982765.db2.gz NGWVMAGNSVUHGD-MCIONIFRSA-N -1 0 310.306 -0.869 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@@H]2CC(c3ccccn3)=NO2)CCOC1 ZINC001594723881 956983463 /nfs/dbraw/zinc/98/34/63/956983463.db2.gz HDYGVIBKKDCPMM-FZMZJTMJSA-N -1 0 305.290 -0.066 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)CCN1CCOC1=O ZINC001594011325 957000948 /nfs/dbraw/zinc/00/09/48/957000948.db2.gz HVKQQFASPLLYPI-UHFFFAOYSA-N -1 0 324.355 -0.809 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccccc1C(=O)[O-] ZINC001589257547 957011761 /nfs/dbraw/zinc/01/17/61/957011761.db2.gz AFAVQVZVDBEZQM-VIFPVBQESA-N -1 0 319.317 -0.352 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589258607 957020176 /nfs/dbraw/zinc/02/01/76/957020176.db2.gz JYRGDMHSZIZNCI-ZETCQYMHSA-N -1 0 306.278 -0.935 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC001594729965 957031613 /nfs/dbraw/zinc/03/16/13/957031613.db2.gz IGWPDUOPFYETBM-TXTTUAKNSA-N -1 0 324.377 -0.025 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cn1 ZINC001594016177 957036951 /nfs/dbraw/zinc/03/69/51/957036951.db2.gz RBNLBBGUYLPXEU-GHMZBOCLSA-N -1 0 324.337 -0.305 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc(C(=O)[O-])nn1C ZINC001589261956 957040763 /nfs/dbraw/zinc/04/07/63/957040763.db2.gz ITCDTSIZUWZXDD-SFYZADRCSA-N -1 0 315.351 -0.234 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC001594731478 957045032 /nfs/dbraw/zinc/04/50/32/957045032.db2.gz WMHNZRWUTKKECN-ONGXEEELSA-N -1 0 310.354 -0.587 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC001594731475 957045518 /nfs/dbraw/zinc/04/55/18/957045518.db2.gz WMHNZRWUTKKECN-KOLCDFICSA-N -1 0 310.354 -0.587 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)C1(C(=O)[O-])CCOCC1 ZINC001589262544 957046977 /nfs/dbraw/zinc/04/69/77/957046977.db2.gz OTKFZOGRKRQXMU-UWVGGRQHSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589262593 957048530 /nfs/dbraw/zinc/04/85/30/957048530.db2.gz PRPQKDMZQAHJME-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM COCCO[C@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594018057 957050440 /nfs/dbraw/zinc/05/04/40/957050440.db2.gz LJHNALZLKMEINW-GXSJLCMTSA-N -1 0 300.311 -0.130 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001589262708 957051232 /nfs/dbraw/zinc/05/12/32/957051232.db2.gz SEYUKBCRTLOCCK-KSKIXUBZSA-N -1 0 316.379 -0.666 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCCCCCC(=O)[O-] ZINC001589262883 957053774 /nfs/dbraw/zinc/05/37/74/957053774.db2.gz APAGNGBWRYCHTB-SNVBAGLBSA-N -1 0 313.354 -0.515 20 0 DBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)N[C@H](C)CC(=O)[O-] ZINC001594018317 957053676 /nfs/dbraw/zinc/05/36/76/957053676.db2.gz QXIRBCAVRYCBOZ-OUAUKWLOSA-N -1 0 304.343 -0.031 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC001594734636 957057200 /nfs/dbraw/zinc/05/72/00/957057200.db2.gz GJUGMVSTUHYQBF-HLTSFMKQSA-N -1 0 319.308 -0.579 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001589263545 957068870 /nfs/dbraw/zinc/06/88/70/957068870.db2.gz QZABFNNYQVHCMX-KXUCPTDWSA-N -1 0 311.338 -0.907 20 0 DBADRM CC(C)n1[nH]cnc1=NC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001589265129 957074324 /nfs/dbraw/zinc/07/43/24/957074324.db2.gz BTTMGTFVKJDETR-UWVGGRQHSA-N -1 0 323.353 -0.211 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)c1ccccc1 ZINC000013541492 957093793 /nfs/dbraw/zinc/09/37/93/957093793.db2.gz ZJTVIMUHNBCZBP-LBPRGKRZSA-N -1 0 316.317 -0.048 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N[C@@H](CC(F)F)C(=O)[O-])C1=O ZINC000389754148 972244140 /nfs/dbraw/zinc/24/41/40/972244140.db2.gz WDWATIBVNZERPI-ZETCQYMHSA-N -1 0 321.280 -0.115 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@H](C)O)c(CC(=O)[O-])c1 ZINC000036889167 957243677 /nfs/dbraw/zinc/24/36/77/957243677.db2.gz MIIRGDOTPCTGSN-QMMMGPOBSA-N -1 0 303.336 -0.019 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)c1cccs1)C(=O)[O-] ZINC000037415416 957281245 /nfs/dbraw/zinc/28/12/45/957281245.db2.gz YFNGUKJWMHFDQG-BHNWBGBOSA-N -1 0 300.336 -0.183 20 0 DBADRM Cc1nc(=O)[nH]c(SCCN2C(=O)CNC2=O)c1C(=O)[O-] ZINC000037429896 957284704 /nfs/dbraw/zinc/28/47/04/957284704.db2.gz UQIDJHGFQYMALV-UHFFFAOYSA-N -1 0 312.307 -0.580 20 0 DBADRM CS(=O)(=O)Nc1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000037451156 957294951 /nfs/dbraw/zinc/29/49/51/957294951.db2.gz IWVUYJMKYFQZET-VIFPVBQESA-N -1 0 302.308 -0.767 20 0 DBADRM COc1ccc(S(=O)(=O)N(C)CC(N)=O)c(CC(=O)[O-])c1 ZINC000037507433 957306501 /nfs/dbraw/zinc/30/65/01/957306501.db2.gz KPSJDQBBCPIVDA-UHFFFAOYSA-N -1 0 316.335 -0.572 20 0 DBADRM CC(C)N(CCC(=O)[O-])CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000037596102 957313349 /nfs/dbraw/zinc/31/33/49/957313349.db2.gz PTOJANRSXOTXJI-JTQLQIEISA-N -1 0 306.384 -0.525 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2CCCCNC2=O)CC1 ZINC000037657013 957318648 /nfs/dbraw/zinc/31/86/48/957318648.db2.gz COUAHAJGQPIHCC-SNVBAGLBSA-N -1 0 319.383 -0.714 20 0 DBADRM NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037732123 957323423 /nfs/dbraw/zinc/32/34/23/957323423.db2.gz URPUDVBMVWQUPO-ZETCQYMHSA-N -1 0 302.312 -0.864 20 0 DBADRM COC(=O)[C@@H]1CCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037731968 957323690 /nfs/dbraw/zinc/32/36/90/957323690.db2.gz SAXAPDMCSWZGMT-ZETCQYMHSA-N -1 0 303.296 -0.566 20 0 DBADRM COC(=O)[C@@H](C)CN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037838615 957334225 /nfs/dbraw/zinc/33/42/25/957334225.db2.gz PJAXBTNUYFPTHK-VIFPVBQESA-N -1 0 322.383 -0.231 20 0 DBADRM C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037838277 957334252 /nfs/dbraw/zinc/33/42/52/957334252.db2.gz FIXZEUSBDGYPQW-BQBZGAKWSA-N -1 0 316.339 -0.618 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCN(C2CC2)CC1 ZINC000037838980 957334805 /nfs/dbraw/zinc/33/48/05/957334805.db2.gz CXIZRBUENKISPG-UHFFFAOYSA-N -1 0 300.340 -0.423 20 0 DBADRM CCN(CCC(=O)[O-])CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000038024473 957347594 /nfs/dbraw/zinc/34/75/94/957347594.db2.gz NNSOSJJGHSJGDE-LLVKDONJSA-N -1 0 320.411 -0.181 20 0 DBADRM C[C@@]12CCC(=O)N1[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])CS2 ZINC000040394122 957361599 /nfs/dbraw/zinc/36/15/99/957361599.db2.gz LTFVZOOWRIBFIM-MRCNFZFLSA-N -1 0 314.363 -0.513 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)COCC(=O)[O-] ZINC000041073173 957385408 /nfs/dbraw/zinc/38/54/08/957385408.db2.gz DAFKBHPDMGZCAE-UHFFFAOYSA-N -1 0 318.307 -0.618 20 0 DBADRM O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@]1(C(=O)[O-])CCSC1 ZINC000043511083 957434360 /nfs/dbraw/zinc/43/43/60/957434360.db2.gz XCIPOHJSPNGTQL-KCJUWKMLSA-N -1 0 307.393 -0.112 20 0 DBADRM CCOC(=O)CN(CC)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000044415083 957444399 /nfs/dbraw/zinc/44/43/99/957444399.db2.gz XEOSRRJNFKTSFV-UHFFFAOYSA-N -1 0 322.383 -0.087 20 0 DBADRM COCC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCOC)C1)C(=O)[O-] ZINC000052784687 957511911 /nfs/dbraw/zinc/51/19/11/957511911.db2.gz NOJKLWFXIAEINS-NXEZZACHSA-N -1 0 302.327 -0.913 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCOCCO ZINC000052925598 957515263 /nfs/dbraw/zinc/51/52/63/957515263.db2.gz SCDGLYDSQXUSNV-UHFFFAOYSA-N -1 0 319.335 -0.319 20 0 DBADRM COCCN(CCOC)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000054262775 957527168 /nfs/dbraw/zinc/52/71/68/957527168.db2.gz SYGPHVZAEMKGRC-UHFFFAOYSA-N -1 0 302.371 -0.096 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)SC[C@H](NC(C)=O)C(=O)[O-] ZINC000069556470 957654054 /nfs/dbraw/zinc/65/40/54/957654054.db2.gz SIMNNECVBYOIPA-XPUUQOCRSA-N -1 0 305.356 -0.457 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(F)c1 ZINC000070216027 957666747 /nfs/dbraw/zinc/66/67/47/957666747.db2.gz VZHYIUGXPIKKCS-SNVBAGLBSA-N -1 0 316.310 -0.211 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001594270985 957674851 /nfs/dbraw/zinc/67/48/51/957674851.db2.gz FCGXLUYRWIPCFK-JTQLQIEISA-N -1 0 321.333 -0.045 20 0 DBADRM Cc1cc(=O)c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c[nH]1 ZINC001594271032 957675091 /nfs/dbraw/zinc/67/50/91/957675091.db2.gz HBDQJBAFSKFDJJ-VIFPVBQESA-N -1 0 314.319 -0.993 20 0 DBADRM COCCn1cc(C(=O)N(CCC(=O)OC)CC(=O)[O-])cn1 ZINC001594024584 957697832 /nfs/dbraw/zinc/69/78/32/957697832.db2.gz QXDZPEAURRMMKS-UHFFFAOYSA-N -1 0 313.310 -0.381 20 0 DBADRM COCCn1cc(N2C[C@@H](C(=O)NCC(=O)[O-])CC2=O)cn1 ZINC001594025155 957707679 /nfs/dbraw/zinc/70/76/79/957707679.db2.gz IXGWYFHQSANFAA-VIFPVBQESA-N -1 0 310.310 -0.917 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CSc1ccncc1 ZINC000071239083 957709347 /nfs/dbraw/zinc/70/93/47/957709347.db2.gz QJBHFWVRSXFYTK-SNVBAGLBSA-N -1 0 309.347 -0.025 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001594025769 957719600 /nfs/dbraw/zinc/71/96/00/957719600.db2.gz AMUCJQXNEOTHKD-NXEZZACHSA-N -1 0 322.317 -0.069 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)[C@@]2(C3CCCC3)CCNC2=O)n1 ZINC001574748608 957720376 /nfs/dbraw/zinc/72/03/76/957720376.db2.gz XLRBSQDWVHGRKJ-CQSZACIVSA-N -1 0 321.337 -0.002 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001594026187 957724221 /nfs/dbraw/zinc/72/42/21/957724221.db2.gz ZRVAHABJAFHIRY-WDEREUQCSA-N -1 0 323.305 -0.674 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001331573224 957732354 /nfs/dbraw/zinc/73/23/54/957732354.db2.gz OQJLYVPJJYFLSZ-UHFFFAOYSA-N -1 0 309.326 -0.763 20 0 DBADRM COCc1csc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])n1 ZINC001594029870 957753787 /nfs/dbraw/zinc/75/37/87/957753787.db2.gz UZOJWANHJSJUHL-LLVKDONJSA-N -1 0 317.323 -0.820 20 0 DBADRM COCc1ccnc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001594029862 957754632 /nfs/dbraw/zinc/75/46/32/957754632.db2.gz UPWQCNDMXKWTOA-JTQLQIEISA-N -1 0 322.321 -0.115 20 0 DBADRM COCc1nocc1C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-] ZINC001594030813 957755427 /nfs/dbraw/zinc/75/54/27/957755427.db2.gz ATVLGLUGHYAYTJ-QMMMGPOBSA-N -1 0 300.267 -0.043 20 0 DBADRM COCc1nnc2n1CCN(C(=O)C1(C(=O)[O-])CCOCC1)C2 ZINC001594031473 957763558 /nfs/dbraw/zinc/76/35/58/957763558.db2.gz VXZOSMUETXHKMV-UHFFFAOYSA-N -1 0 324.337 -0.352 20 0 DBADRM CON(C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)[C@@H](C)C(=O)[O-] ZINC001594032931 957777109 /nfs/dbraw/zinc/77/71/09/957777109.db2.gz BIBZZUJQNRDZIZ-ZETCQYMHSA-N -1 0 319.339 -0.258 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)CC[C@H]1CCOC1)C2 ZINC001574777754 957777721 /nfs/dbraw/zinc/77/77/21/957777721.db2.gz QGKSQDBDKUGNBA-MDZLAQPJSA-N -1 0 319.379 -0.224 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)CC2 ZINC001594032987 957778454 /nfs/dbraw/zinc/77/84/54/957778454.db2.gz KWJVKKCVCVLQNG-YMTOWFKASA-N -1 0 324.337 -0.511 20 0 DBADRM COCc1nccc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC001594033048 957779812 /nfs/dbraw/zinc/77/98/12/957779812.db2.gz NGBGQHIGQLFLAW-CQSZACIVSA-N -1 0 322.321 -0.115 20 0 DBADRM COCn1nccc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001594035391 957808093 /nfs/dbraw/zinc/80/80/93/957808093.db2.gz VAEKWLDKBJBPHA-SNVBAGLBSA-N -1 0 305.312 -0.991 20 0 DBADRM CON(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)[C@H](C)C(=O)[O-] ZINC001594035622 957810543 /nfs/dbraw/zinc/81/05/43/957810543.db2.gz OCFAOASBGKMIMN-FUXBKTLASA-N -1 0 313.310 -0.430 20 0 DBADRM CON(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@H](C)C(=O)[O-] ZINC001594037903 957831831 /nfs/dbraw/zinc/83/18/31/957831831.db2.gz RVTSKZNUYHSZFD-SFYZADRCSA-N -1 0 306.315 -0.265 20 0 DBADRM Cc1cc(CNC(=O)NCCn2cc(C(=O)[O-])nn2)n(C)n1 ZINC000390616374 972295730 /nfs/dbraw/zinc/29/57/30/972295730.db2.gz JYUBIUJUYBFKAG-UHFFFAOYSA-N -1 0 307.314 -0.482 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000390884392 972306065 /nfs/dbraw/zinc/30/60/65/972306065.db2.gz HIHGLYNATDTENP-JTQLQIEISA-N -1 0 324.289 -0.703 20 0 DBADRM CON(C(=O)c1oc(S(N)(=O)=O)cc1C)[C@@H](C)C(=O)[O-] ZINC001594040841 957872803 /nfs/dbraw/zinc/87/28/03/957872803.db2.gz QSCQTZLEZUWPOP-LURJTMIESA-N -1 0 306.296 -0.288 20 0 DBADRM CON1CCC(NC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC001594043393 957900449 /nfs/dbraw/zinc/90/04/49/957900449.db2.gz FBUVKLSFVZSGNX-UHFFFAOYSA-N -1 0 322.321 -0.140 20 0 DBADRM CON1CCC(N(C)C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC1 ZINC001594043551 957901052 /nfs/dbraw/zinc/90/10/52/957901052.db2.gz HKYVBYLEROLPML-JTQLQIEISA-N -1 0 315.370 -0.350 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)cn1 ZINC001574819824 957904165 /nfs/dbraw/zinc/90/41/65/957904165.db2.gz FXAKHADCNQVAFV-WDEREUQCSA-N -1 0 320.305 -0.706 20 0 DBADRM Cc1cc(CCC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])[nH]n1 ZINC001594301927 957917588 /nfs/dbraw/zinc/91/75/88/957917588.db2.gz AVAASHRWMQRANQ-SNVBAGLBSA-N -1 0 315.351 -0.639 20 0 DBADRM COc1c(C(=O)NCCOCCOCC(=O)[O-])c(C)nn1C ZINC001594045828 957920190 /nfs/dbraw/zinc/92/01/90/957920190.db2.gz ABQRDSIFEDUWIO-UHFFFAOYSA-N -1 0 315.326 -0.415 20 0 DBADRM Cc1cc(CNC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)n[nH]1 ZINC001594303944 957942042 /nfs/dbraw/zinc/94/20/42/957942042.db2.gz GBBIEPHNCREIKS-NSHDSACASA-N -1 0 323.353 -0.017 20 0 DBADRM COc1c(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cccc1C(N)=O ZINC001594047578 957945426 /nfs/dbraw/zinc/94/54/26/957945426.db2.gz ANWWHHOIMNYQML-SECBINFHSA-N -1 0 307.262 -0.038 20 0 DBADRM COc1cc(=O)[nH]cc1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001594047591 957945913 /nfs/dbraw/zinc/94/59/13/957945913.db2.gz IHUHPGAHABEBFQ-XLKFXECMSA-N -1 0 308.290 -0.031 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)C1 ZINC001574827712 957950207 /nfs/dbraw/zinc/95/02/07/957950207.db2.gz TWMWDVWXVATLBH-VGMNWLOBSA-N -1 0 323.309 -0.630 20 0 DBADRM Cc1cc(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)[nH]n1 ZINC001594304599 957956299 /nfs/dbraw/zinc/95/62/99/957956299.db2.gz XOQSWNUZPWBTPX-UHFFFAOYSA-N -1 0 306.282 -0.746 20 0 DBADRM Cc1cc(C)nc(C2CN(CCS(=O)(=O)CC(=O)[O-])C2)n1 ZINC001594305408 957964885 /nfs/dbraw/zinc/96/48/85/957964885.db2.gz GPPIRZBIVCTKPM-UHFFFAOYSA-N -1 0 313.379 -0.008 20 0 DBADRM COc1cc(C(=O)N2CC(C(=O)[O-])C2)ccc1OCC(N)=O ZINC001594050590 957982612 /nfs/dbraw/zinc/98/26/12/957982612.db2.gz QHMYVKGSAHGLIT-UHFFFAOYSA-N -1 0 308.290 -0.284 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cn(C)c1=O ZINC001594313264 958049009 /nfs/dbraw/zinc/04/90/09/958049009.db2.gz BYSFRUAFLUWNMT-JTQLQIEISA-N -1 0 307.306 -0.292 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)ccc1C(=O)[O-] ZINC001594313821 958051345 /nfs/dbraw/zinc/05/13/45/958051345.db2.gz SBOZHIILIZKLNU-QWRGUYRKSA-N -1 0 308.290 -0.804 20 0 DBADRM CCn1cc(NC(=O)C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cn1 ZINC001346164745 958062616 /nfs/dbraw/zinc/06/26/16/958062616.db2.gz AIJBXHBAOARBHN-SNVBAGLBSA-N -1 0 320.309 -0.483 20 0 DBADRM CC[C@H](C)NC(=O)CCNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000088769958 958067220 /nfs/dbraw/zinc/06/72/20/958067220.db2.gz FDIXVEFGLUAYFU-VIFPVBQESA-N -1 0 309.388 -0.468 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCN(CC(C)(C)O)CC1 ZINC000088772952 958069218 /nfs/dbraw/zinc/06/92/18/958069218.db2.gz JUHOYGDTGOFGNA-UHFFFAOYSA-N -1 0 323.415 -0.974 20 0 DBADRM CN1C(=O)C[C@@H](NS(=O)(=O)c2ccsc2C(=O)[O-])C1=O ZINC000088774736 958070005 /nfs/dbraw/zinc/07/00/05/958070005.db2.gz PNDBSWODKMDWLG-RXMQYKEDSA-N -1 0 318.332 -0.518 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@](O)(C2CC2)C1)C(=O)[O-] ZINC001346513468 958069924 /nfs/dbraw/zinc/06/99/24/958069924.db2.gz AIPDPFDDFFCZKA-NHYWBVRUSA-N -1 0 312.366 -0.167 20 0 DBADRM COc1cc(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)[nH]n1 ZINC001594062166 958099286 /nfs/dbraw/zinc/09/92/86/958099286.db2.gz QLPNRAYDMXCWPD-HTQZYQBOSA-N -1 0 310.310 -0.074 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CNC(=O)c1cccc(Cl)c1 ZINC000090261418 958100023 /nfs/dbraw/zinc/10/00/23/958100023.db2.gz CYPIINKERZFAII-VIFPVBQESA-N -1 0 300.698 -0.369 20 0 DBADRM COc1cc(N)c(C(=O)N(C)CC(=O)[O-])cc1S(C)(=O)=O ZINC001594062360 958100173 /nfs/dbraw/zinc/10/01/73/958100173.db2.gz UUAPZJYHNXODEW-UHFFFAOYSA-N -1 0 316.335 -0.163 20 0 DBADRM CCS(=O)(=O)C1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC1 ZINC001350421459 958106116 /nfs/dbraw/zinc/10/61/16/958106116.db2.gz FGKZDHWJIKHNTR-GFCCVEGCSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)(C)NC(=O)NC(=O)CN1CCO[C@@H](CC(=O)[O-])C1 ZINC000091296858 958136161 /nfs/dbraw/zinc/13/61/61/958136161.db2.gz LIDZPUPVCWZKEM-VIFPVBQESA-N -1 0 301.343 -0.214 20 0 DBADRM CC1(C)CN(C(=O)NCCOCCOCC(=O)[O-])CCO1 ZINC001353138271 958146047 /nfs/dbraw/zinc/14/60/47/958146047.db2.gz AOPSHNJFMDBXKE-UHFFFAOYSA-N -1 0 304.343 -0.075 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114602 958158330 /nfs/dbraw/zinc/15/83/30/958158330.db2.gz JKPOOKSBYIKXLN-LURJTMIESA-N -1 0 304.299 -0.063 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000092917557 958182432 /nfs/dbraw/zinc/18/24/32/958182432.db2.gz VATYNEYAGDHXPJ-ONGXEEELSA-N -1 0 318.395 -0.020 20 0 DBADRM O=C([O-])COCCNC(=O)CSc1nnnn1C1CC1 ZINC000093226348 958237030 /nfs/dbraw/zinc/23/70/30/958237030.db2.gz RFEFQKNMSLXAPI-UHFFFAOYSA-N -1 0 301.328 -0.683 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 ZINC001549224525 958256571 /nfs/dbraw/zinc/25/65/71/958256571.db2.gz RAGCFXJMRSFQBZ-XPTSAGLGSA-N -1 0 302.290 -0.098 20 0 DBADRM Cc1n[nH]c(=O)c(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1C ZINC001549229219 958262989 /nfs/dbraw/zinc/26/29/89/958262989.db2.gz JUEMQSVQCPRHIR-XPTSAGLGSA-N -1 0 307.306 -0.028 20 0 DBADRM NC(=O)c1cc(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)on1 ZINC001552397449 958309300 /nfs/dbraw/zinc/30/93/00/958309300.db2.gz DDSVTDZRICOMBF-CPFSXVBKSA-N -1 0 324.293 -0.984 20 0 DBADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC000095017720 958331628 /nfs/dbraw/zinc/33/16/28/958331628.db2.gz DYXHKZUAESPMCH-ZETCQYMHSA-N -1 0 317.323 -0.400 20 0 DBADRM COc1ccc(CNC(=O)CNC(=O)[C@H](OC)C(=O)[O-])cc1 ZINC001594093357 958380786 /nfs/dbraw/zinc/38/07/86/958380786.db2.gz NWLYFXQZPSHYAC-LBPRGKRZSA-N -1 0 310.306 -0.473 20 0 DBADRM C=CC(=O)NCCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588447728 958383582 /nfs/dbraw/zinc/38/35/82/958383582.db2.gz QMFIFPYDGUFYJY-SNVBAGLBSA-N -1 0 311.338 -0.739 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(=O)n1C ZINC001594358661 958427376 /nfs/dbraw/zinc/42/73/76/958427376.db2.gz OBDORZKDYXUYDL-LLVKDONJSA-N -1 0 321.333 -0.757 20 0 DBADRM Cc1nccn1CC(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485385295 1013177728 /nfs/dbraw/zinc/17/77/28/1013177728.db2.gz FWIQNBIXOKKDJC-SECBINFHSA-N -1 0 307.358 -0.348 20 0 DBADRM COc1ccc(NC(=O)[C@@H](OC)C(=O)[O-])cc1OCC(N)=O ZINC001594101793 958444657 /nfs/dbraw/zinc/44/46/57/958444657.db2.gz RWPXPAWVTJPOND-LLVKDONJSA-N -1 0 312.278 -0.403 20 0 DBADRM Cc1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)c(=O)n1C ZINC001594361676 958457194 /nfs/dbraw/zinc/45/71/94/958457194.db2.gz WZZCMPYQGVGBGM-NSHDSACASA-N -1 0 309.322 -0.311 20 0 DBADRM Cc1ccc(Cn2nnnc2N(C)C[C@@H](C)C(=O)[O-])c(=O)n1C ZINC001594366130 958490606 /nfs/dbraw/zinc/49/06/06/958490606.db2.gz ICZTXOQTOSODTK-SECBINFHSA-N -1 0 320.353 -0.115 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCSC1 ZINC000124614638 958538828 /nfs/dbraw/zinc/53/88/28/958538828.db2.gz VEGFZIRZCKODCR-IUCAKERBSA-N -1 0 307.393 -0.160 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnns1 ZINC000124625789 958540066 /nfs/dbraw/zinc/54/00/66/958540066.db2.gz LHCHDHUQJAQAQG-ZCFIWIBFSA-N -1 0 305.337 -0.748 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C[C@H](O)C(F)(F)F ZINC000124785791 958544599 /nfs/dbraw/zinc/54/45/99/958544599.db2.gz KCADNGRIPKESRA-RQJHMYQMSA-N -1 0 305.274 -0.517 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-])n1cccn1 ZINC000125946240 958573215 /nfs/dbraw/zinc/57/32/15/958573215.db2.gz BAXMQHCHTUYNKT-NXEZZACHSA-N -1 0 315.351 -0.456 20 0 DBADRM CC[C@H](C)NC(=O)[C@H](C)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000126303823 958585929 /nfs/dbraw/zinc/58/59/29/958585929.db2.gz SZWMKMTUXWNBST-DCAQKATOSA-N -1 0 320.411 -0.137 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000126342705 958587517 /nfs/dbraw/zinc/58/75/17/958587517.db2.gz JFFMTZPKILCZSU-SCZZXKLOSA-N -1 0 304.368 -0.773 20 0 DBADRM CCc1nc(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])no1 ZINC000126332778 958587838 /nfs/dbraw/zinc/58/78/38/958587838.db2.gz NPPLNEZNDXSXKO-QMMMGPOBSA-N -1 0 303.340 -0.294 20 0 DBADRM CC(C)n1ncnc1CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000126335419 958588139 /nfs/dbraw/zinc/58/81/39/958588139.db2.gz VDUOAWRQTCLPRN-SNVBAGLBSA-N -1 0 316.383 -0.067 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1cccs1 ZINC000132007361 958759388 /nfs/dbraw/zinc/75/93/88/958759388.db2.gz ZYOWWVCCFGHXPN-HTQZYQBOSA-N -1 0 313.335 -0.971 20 0 DBADRM CC[S@@](=O)CCNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000133785875 958821536 /nfs/dbraw/zinc/82/15/36/958821536.db2.gz MCQMWEJSNCXDLX-FQEVSTJZSA-N -1 0 303.344 -0.956 20 0 DBADRM NC(=O)[C@@H]1CCCN(S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000134661808 958844701 /nfs/dbraw/zinc/84/47/01/958844701.db2.gz ICEFIUJBVSRVMA-ZCFIWIBFSA-N -1 0 319.364 -0.273 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134726963 958859812 /nfs/dbraw/zinc/85/98/12/958859812.db2.gz DHVCWYLKBQOIHW-RQJHMYQMSA-N -1 0 322.364 -0.388 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134727029 958859829 /nfs/dbraw/zinc/85/98/29/958859829.db2.gz DHVCWYLKBQOIHW-NKWVEPMBSA-N -1 0 322.364 -0.388 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1)C(N)=O ZINC000135796821 958892492 /nfs/dbraw/zinc/89/24/92/958892492.db2.gz HKLHNRQOJOBYOD-QMMMGPOBSA-N -1 0 312.347 -0.045 20 0 DBADRM O=C([O-])c1cccc2c1CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC000391936874 972392171 /nfs/dbraw/zinc/39/21/71/972392171.db2.gz KZTIMRWMIYOFGE-NSHDSACASA-N -1 0 317.301 -0.132 20 0 DBADRM COC[C@H](NC(=O)CSc1nnnn1C1CC1)C(=O)[O-] ZINC000158296593 959086911 /nfs/dbraw/zinc/08/69/11/959086911.db2.gz YRJUCNYCHSJRTD-ZETCQYMHSA-N -1 0 301.328 -0.684 20 0 DBADRM COC[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000158392132 959090977 /nfs/dbraw/zinc/09/09/77/959090977.db2.gz IEJGJSBKDOXJKG-JTQLQIEISA-N -1 0 301.320 -0.081 20 0 DBADRM CO[C@@]1(CNS(=O)(=O)c2scnc2C(=O)[O-])CCOC1 ZINC000160020920 959137709 /nfs/dbraw/zinc/13/77/09/959137709.db2.gz JXFGVHCBVMNQMY-SNVBAGLBSA-N -1 0 322.364 -0.075 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCCNS(C)(=O)=O ZINC000161180138 959169502 /nfs/dbraw/zinc/16/95/02/959169502.db2.gz LKHBDEDANMJDPJ-UHFFFAOYSA-N -1 0 303.340 -0.391 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCC2(O)CCOCC2)o1 ZINC000162575326 959216536 /nfs/dbraw/zinc/21/65/36/959216536.db2.gz UEVURNJHMUJCKM-UHFFFAOYSA-N -1 0 305.308 -0.202 20 0 DBADRM COCCN(CCO)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000164246598 959254958 /nfs/dbraw/zinc/25/49/58/959254958.db2.gz IUZWKTRXLVRRFY-UHFFFAOYSA-N -1 0 306.340 -0.647 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000165905267 959293787 /nfs/dbraw/zinc/29/37/87/959293787.db2.gz HUMGMAAUYSEHQK-VIFPVBQESA-N -1 0 301.343 -0.323 20 0 DBADRM CS(=O)(=O)CCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000166131614 959300282 /nfs/dbraw/zinc/30/02/82/959300282.db2.gz QSOBTARDUBRJPL-UHFFFAOYSA-N -1 0 308.356 -0.788 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2C[C@H](CO)OC[C@@H]2C)c1C(=O)[O-] ZINC000167103211 959335634 /nfs/dbraw/zinc/33/56/34/959335634.db2.gz CXAXYDOWNFQNMN-POYBYMJQSA-N -1 0 319.339 -0.813 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000169262787 959407086 /nfs/dbraw/zinc/40/70/86/959407086.db2.gz QJJSCFLITSADBR-GWNMQOMSSA-N -1 0 306.384 -0.066 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1 ZINC000170565684 959414556 /nfs/dbraw/zinc/41/45/56/959414556.db2.gz JVPAPUAAALJEOG-UHFFFAOYSA-N -1 0 316.273 -0.163 20 0 DBADRM CN(C(=O)N1CCSC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000215093741 959747936 /nfs/dbraw/zinc/74/79/36/959747936.db2.gz BLFGJQZIGUGYEB-BDAKNGLRSA-N -1 0 322.408 -0.273 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)cc1Cl ZINC000218622873 959791359 /nfs/dbraw/zinc/79/13/59/959791359.db2.gz VGELDEQVMFMFTH-AOOOYVTPSA-N -1 0 321.738 -0.236 20 0 DBADRM Cc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)cc1C(=O)[O-] ZINC000227254281 959939320 /nfs/dbraw/zinc/93/93/20/959939320.db2.gz SQLMLDCGACPZEX-PHIMTYICSA-N -1 0 301.320 -0.581 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@H]2CC[C@H](O)C2)CC1 ZINC000227547200 959953229 /nfs/dbraw/zinc/95/32/29/959953229.db2.gz JCUIBMXIZWDJEO-ONGXEEELSA-N -1 0 306.384 -0.222 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC[C@@H]2CC[C@H](O)C2)cn1 ZINC000227547399 959953762 /nfs/dbraw/zinc/95/37/62/959953762.db2.gz ZQDACEKFVPHFFO-BDAKNGLRSA-N -1 0 303.340 -0.593 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCC2CCC(O)CC2)cn1 ZINC000227550137 959958350 /nfs/dbraw/zinc/95/83/50/959958350.db2.gz QLJRSDUQNMCGMZ-UHFFFAOYSA-N -1 0 317.367 -0.203 20 0 DBADRM COC[C@H](CCO)NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000228224979 960003233 /nfs/dbraw/zinc/00/32/33/960003233.db2.gz JFZHDMHTMOUUJG-QMMMGPOBSA-N -1 0 307.324 -0.038 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(CCO)C2CCC2)c1C(=O)[O-] ZINC000228347740 960013222 /nfs/dbraw/zinc/01/32/22/960013222.db2.gz HWKWUXURJHOKNX-UHFFFAOYSA-N -1 0 303.340 -0.048 20 0 DBADRM CC(C)NC(=O)[C@H](C)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000228925132 960047097 /nfs/dbraw/zinc/04/70/97/960047097.db2.gz YMSAFZHNCONBKH-ZETCQYMHSA-N -1 0 303.340 -0.096 20 0 DBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@@H]1CNC(=O)C1 ZINC000229019783 960051722 /nfs/dbraw/zinc/05/17/22/960051722.db2.gz NFOFURWBEDWRQQ-QMMMGPOBSA-N -1 0 314.319 -0.440 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CNC(=O)C2)ccc1F ZINC000229021341 960052450 /nfs/dbraw/zinc/05/24/50/960052450.db2.gz JVDAGFYPKOEBGE-LURJTMIESA-N -1 0 302.283 -0.309 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CNC(=O)C1 ZINC000229021158 960053296 /nfs/dbraw/zinc/05/32/96/960053296.db2.gz YDQRROYPXPTDEA-MRVPVSSYSA-N -1 0 314.319 -0.440 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000229031651 960054145 /nfs/dbraw/zinc/05/41/45/960054145.db2.gz CYMVGFZIFXWPJT-NSHDSACASA-N -1 0 303.336 -0.189 20 0 DBADRM C[S@@](=O)CCCNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000229335145 960077828 /nfs/dbraw/zinc/07/78/28/960077828.db2.gz SKRAWTCHHBZZGK-HXUWFJFHSA-N -1 0 303.344 -0.956 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C[C@@H](CO)O1 ZINC000229951015 960101185 /nfs/dbraw/zinc/10/11/85/960101185.db2.gz CNJRVYWPXUBADO-BDAKNGLRSA-N -1 0 318.351 -0.506 20 0 DBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)c1cc(C(=O)[O-])on1 ZINC000230050624 960120958 /nfs/dbraw/zinc/12/09/58/960120958.db2.gz UJIOEWYXBIGHTA-QMMMGPOBSA-N -1 0 320.348 -0.068 20 0 DBADRM COC[C@@H](O)CCNS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000230132771 960128545 /nfs/dbraw/zinc/12/85/45/960128545.db2.gz NYIUTEKDVOUASI-QMMMGPOBSA-N -1 0 307.324 -0.038 20 0 DBADRM COC[C@@H](O)CCNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000230132076 960128814 /nfs/dbraw/zinc/12/88/14/960128814.db2.gz VMBUBMBWSXTFNG-LURJTMIESA-N -1 0 310.353 -0.483 20 0 DBADRM COC[C@@H](O)CCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000230132316 960129013 /nfs/dbraw/zinc/12/90/13/960129013.db2.gz NLDPUPVIVKNMNJ-NSHDSACASA-N -1 0 317.363 -0.011 20 0 DBADRM CN1CC[C@@H](NS(=O)(=O)c2scnc2C(=O)[O-])C1=O ZINC000230225584 960131158 /nfs/dbraw/zinc/13/11/58/960131158.db2.gz HNNKPQNVVLBQCL-RXMQYKEDSA-N -1 0 305.337 -0.650 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@@H](O)[C@@H](C)C2)c1C(=O)[O-] ZINC000230623937 960155106 /nfs/dbraw/zinc/15/51/06/960155106.db2.gz WPAOJMTYMOXMLB-POYBYMJQSA-N -1 0 303.340 -0.192 20 0 DBADRM COC(C)(C)CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000230927683 960173653 /nfs/dbraw/zinc/17/36/53/960173653.db2.gz WZXCIKCCACSTEI-VIFPVBQESA-N -1 0 307.368 -0.098 20 0 DBADRM CCCCNC(=O)[C@@H](C)S(=O)(=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000232970411 960306007 /nfs/dbraw/zinc/30/60/07/960306007.db2.gz TUWWBXGUXXBATR-SCZZXKLOSA-N -1 0 322.383 -0.705 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@@](C)(C(N)=O)C2)cc1C(=O)[O-] ZINC000236085550 960548173 /nfs/dbraw/zinc/54/81/73/960548173.db2.gz GLZULDYEWUPRAI-GFCCVEGCSA-N -1 0 315.351 -0.391 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)ccc1F ZINC000236600868 960715665 /nfs/dbraw/zinc/71/56/65/960715665.db2.gz MTXMVAKYYNJCSP-UWVGGRQHSA-N -1 0 305.283 -0.750 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC001571086080 961064442 /nfs/dbraw/zinc/06/44/42/961064442.db2.gz WJSRNLKLUMXUAX-SECBINFHSA-N -1 0 304.310 -0.128 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)C1 ZINC001571092943 961130034 /nfs/dbraw/zinc/13/00/34/961130034.db2.gz ZUYMWPOFWPRTQC-GWOFURMSSA-N -1 0 306.322 -0.604 20 0 DBADRM CCCCNC(=O)[C@H](C)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000249813432 961205515 /nfs/dbraw/zinc/20/55/15/961205515.db2.gz DJKLYJRKQWHABJ-WDEREUQCSA-N -1 0 320.411 -0.135 20 0 DBADRM O=C([O-])C[C@H]1CCCN1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000251590588 961252309 /nfs/dbraw/zinc/25/23/09/961252309.db2.gz ZIGZCHVZMVDREN-VHSXEESVSA-N -1 0 304.368 -0.771 20 0 DBADRM C[C@@H]1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)[C@@H](C(=O)[O-])C1 ZINC000253149323 961312625 /nfs/dbraw/zinc/31/26/25/961312625.db2.gz CGGZVIKENWYJFH-OUAUKWLOSA-N -1 0 318.395 -0.525 20 0 DBADRM CC[C@H](NC(=O)c1c2c(nn1C)CCS(=O)(=O)C2)C(=O)[O-] ZINC001571125172 961484900 /nfs/dbraw/zinc/48/49/00/961484900.db2.gz FGIYWFASKFGFHE-QMMMGPOBSA-N -1 0 315.351 -0.516 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001571144600 961710534 /nfs/dbraw/zinc/71/05/34/961710534.db2.gz PYATZFSKNCJFPK-KXUCPTDWSA-N -1 0 319.383 -0.427 20 0 DBADRM NC(=O)[C@@H](C1CC1)N(CC1CC1)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001574494112 961725222 /nfs/dbraw/zinc/72/52/22/961725222.db2.gz XONLGYFAMICPLX-GFCCVEGCSA-N -1 0 321.337 -0.521 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnc2nccn2c1 ZINC001571163033 961946155 /nfs/dbraw/zinc/94/61/55/961946155.db2.gz DBNOCMYHPWEFQU-VIFPVBQESA-N -1 0 324.318 -0.947 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cnc2nccn2c1 ZINC001571163032 961946548 /nfs/dbraw/zinc/94/65/48/961946548.db2.gz DBNOCMYHPWEFQU-SECBINFHSA-N -1 0 324.318 -0.947 20 0 DBADRM CC(C)C[C@@H](OC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC001588863722 962021058 /nfs/dbraw/zinc/02/10/58/962021058.db2.gz ZERACNRLVLADCZ-VHSXEESVSA-N -1 0 322.383 -0.056 20 0 DBADRM CN1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@H]1CO ZINC001598621784 1017353524 /nfs/dbraw/zinc/35/35/24/1017353524.db2.gz WVDPZQUVMRNWGX-VWYCJHECSA-N -1 0 306.384 -0.822 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000263090398 962238687 /nfs/dbraw/zinc/23/86/87/962238687.db2.gz ZYHOJOWMOUTRLT-JTQLQIEISA-N -1 0 318.326 -0.106 20 0 DBADRM CN(C1(C(=O)[O-])CCCC1)S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001598624388 1017354323 /nfs/dbraw/zinc/35/43/23/1017354323.db2.gz WCZICKZRRDTXRG-NSHDSACASA-N -1 0 320.411 -0.024 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C[C@H](CO)O1 ZINC000299954881 962951633 /nfs/dbraw/zinc/95/16/33/962951633.db2.gz NTQODTPAFAZCLB-JGVFFNPUSA-N -1 0 304.324 -0.517 20 0 DBADRM CN=[S@](C)(=O)CCNC(=O)COCc1ocnc1C(=O)[O-] ZINC001598633425 1017361686 /nfs/dbraw/zinc/36/16/86/1017361686.db2.gz OTGKNMYVZCSWNB-OAQYLSRUSA-N -1 0 319.339 -0.267 20 0 DBADRM CNC(=O)C1(NC(=O)c2ccoc2CC(=O)[O-])CCOCC1 ZINC001598635607 1017362135 /nfs/dbraw/zinc/36/21/35/1017362135.db2.gz JROWEZSXOQRDSW-UHFFFAOYSA-N -1 0 310.306 -0.068 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC000311495427 963484032 /nfs/dbraw/zinc/48/40/32/963484032.db2.gz DAPSKGPGZVZOBC-SECBINFHSA-N -1 0 313.397 -0.310 20 0 DBADRM CCC[C@H](NS(=O)(=O)c1scnc1C(=O)[O-])C(N)=O ZINC000311626737 963498573 /nfs/dbraw/zinc/49/85/73/963498573.db2.gz NKTNQIWICUAUNX-YFKPBYRVSA-N -1 0 307.353 -0.226 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000311742866 963508174 /nfs/dbraw/zinc/50/81/74/963508174.db2.gz SCNRGXISODBBIL-SSDOTTSWSA-N -1 0 309.365 -0.190 20 0 DBADRM NC(=O)[C@]1(O)CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000312247479 963548093 /nfs/dbraw/zinc/54/80/93/963548093.db2.gz DUHYBESUSHGDJQ-JTQLQIEISA-N -1 0 320.348 -0.943 20 0 DBADRM Cc1c(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)cnn1C ZINC000312474961 963565947 /nfs/dbraw/zinc/56/59/47/963565947.db2.gz HIKMWLQYSLLJLX-UHFFFAOYSA-N -1 0 302.356 -0.881 20 0 DBADRM CC(C)(CNS(=O)(=O)c1scnc1C(=O)[O-])OCCO ZINC000312861575 963600472 /nfs/dbraw/zinc/60/04/72/963600472.db2.gz QVTNGIBHAZJXJE-UHFFFAOYSA-N -1 0 324.380 -0.093 20 0 DBADRM CN(c1cc(C(=O)[O-])ncn1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000312925146 963605629 /nfs/dbraw/zinc/60/56/29/963605629.db2.gz DGBVJIKWSQIVNU-MRVPVSSYSA-N -1 0 300.340 -0.355 20 0 DBADRM C[C@@](CO)(NC(=O)CCNC(=O)c1cccs1)C(=O)[O-] ZINC000313503214 963650212 /nfs/dbraw/zinc/65/02/12/963650212.db2.gz FFYBCICKYRYEFD-LBPRGKRZSA-N -1 0 300.336 -0.180 20 0 DBADRM Cn1ncc(C(=O)N[C@@](C)(CO)C(=O)[O-])c1Br ZINC000313507697 963652329 /nfs/dbraw/zinc/65/23/29/963652329.db2.gz MINPODUKHIWSFH-VIFPVBQESA-N -1 0 306.116 -0.252 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)N[C@](C)(CO)C(=O)[O-])s1 ZINC000313507678 963652374 /nfs/dbraw/zinc/65/23/74/963652374.db2.gz MFHGQENPDLWEBC-GFCCVEGCSA-N -1 0 300.336 -0.262 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CCC(O)(CO)CC1 ZINC000313631274 963672377 /nfs/dbraw/zinc/67/23/77/963672377.db2.gz RVZLFJAJKFUUIF-UHFFFAOYSA-N -1 0 315.347 -0.107 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)N1CCC[C@@](O)(CO)C1 ZINC000313671869 963674605 /nfs/dbraw/zinc/67/46/05/963674605.db2.gz GPKVMQRQYRBSAN-NSHDSACASA-N -1 0 321.376 -0.046 20 0 DBADRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000313892649 963689116 /nfs/dbraw/zinc/68/91/16/963689116.db2.gz FDVZLWLPQKLXQX-YFKPBYRVSA-N -1 0 309.200 -0.529 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)Cn2cnnn2)cc1 ZINC000314213343 963726149 /nfs/dbraw/zinc/72/61/49/963726149.db2.gz SANNKVIIBVXXGF-UHFFFAOYSA-N -1 0 304.266 -0.874 20 0 DBADRM CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000314466519 963756730 /nfs/dbraw/zinc/75/67/30/963756730.db2.gz NDUYJEZELOFLBQ-MRVPVSSYSA-N -1 0 315.351 -0.027 20 0 DBADRM Cc1oc(CNC(=O)CNS(=O)(=O)N(C)C)cc1C(=O)[O-] ZINC000314496646 963761513 /nfs/dbraw/zinc/76/15/13/963761513.db2.gz DRRFUINPGKFMRI-UHFFFAOYSA-N -1 0 319.339 -0.702 20 0 DBADRM CN(Cc1nncn1C)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000314596540 963775382 /nfs/dbraw/zinc/77/53/82/963775382.db2.gz FUGUHIQDZDYQOG-UHFFFAOYSA-N -1 0 311.323 -0.271 20 0 DBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC000314608557 963776832 /nfs/dbraw/zinc/77/68/32/963776832.db2.gz HDFRLOWLDQSJQE-SECBINFHSA-N -1 0 314.319 -0.037 20 0 DBADRM CC(C)(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)OCCO ZINC000314755867 963804676 /nfs/dbraw/zinc/80/46/76/963804676.db2.gz JKBAQJAHTYYPMM-UHFFFAOYSA-N -1 0 324.399 -0.595 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@H]1c1nncn1C ZINC000315019177 963845809 /nfs/dbraw/zinc/84/58/09/963845809.db2.gz FHSZGFSMSOQPFN-VIFPVBQESA-N -1 0 317.371 -0.397 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000315323622 963881791 /nfs/dbraw/zinc/88/17/91/963881791.db2.gz BXIBJCIIAMUDKQ-BDAKNGLRSA-N -1 0 313.354 -0.661 20 0 DBADRM CCN(CC)C(=O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315328783 963883155 /nfs/dbraw/zinc/88/31/55/963883155.db2.gz CVDKGWNLNPHCPT-UHFFFAOYSA-N -1 0 319.339 -0.138 20 0 DBADRM Cc1nc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])ccc1C#N ZINC000315349687 963887803 /nfs/dbraw/zinc/88/78/03/963887803.db2.gz GYSWFSALBVPXMO-LLVKDONJSA-N -1 0 302.290 -0.323 20 0 DBADRM CC(=O)NCCCCCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000315390780 963894086 /nfs/dbraw/zinc/89/40/86/963894086.db2.gz LBZJFXXUEUYTDZ-LLVKDONJSA-N -1 0 313.354 -0.515 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)nn1 ZINC000315879278 963945785 /nfs/dbraw/zinc/94/57/85/963945785.db2.gz KCTZPBIFKCGPGR-MRVPVSSYSA-N -1 0 307.310 -0.897 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC000315957937 963957901 /nfs/dbraw/zinc/95/79/01/963957901.db2.gz KYXJRYQYBITCHE-UHFFFAOYSA-N -1 0 303.296 -0.774 20 0 DBADRM C[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000316123056 963980020 /nfs/dbraw/zinc/98/00/20/963980020.db2.gz DLPMRCCWTPWLGT-MRVPVSSYSA-N -1 0 303.340 -0.007 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)on1 ZINC000316142810 963982932 /nfs/dbraw/zinc/98/29/32/963982932.db2.gz GJWQUTYIXGOWLG-UHFFFAOYSA-N -1 0 318.307 -0.100 20 0 DBADRM COC(=O)C[C@H](NC(=O)CNC(=O)c1ccccc1)C(=O)[O-] ZINC000316197790 963989490 /nfs/dbraw/zinc/98/94/90/963989490.db2.gz WVPGYSHAYYDFDE-JTQLQIEISA-N -1 0 308.290 -0.451 20 0 DBADRM CNC(=O)[C@]1(C)CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000316196576 963989615 /nfs/dbraw/zinc/98/96/15/963989615.db2.gz LVZVESRRYKRYPW-LLVKDONJSA-N -1 0 317.323 -0.481 20 0 DBADRM CNC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC000316241696 963993657 /nfs/dbraw/zinc/99/36/57/963993657.db2.gz QBNIBMOMYVFTFC-UHFFFAOYSA-N -1 0 317.323 -0.481 20 0 DBADRM C[N@H+]1CC=C(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC000316286800 963998451 /nfs/dbraw/zinc/99/84/51/963998451.db2.gz UPTHDBYAWAHYJH-UHFFFAOYSA-N -1 0 301.324 -0.087 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@H](O)[C@H](CO)C2)c(F)c1 ZINC000316338994 964003627 /nfs/dbraw/zinc/00/36/27/964003627.db2.gz CUCNRDRLWJRTOT-WPRPVWTQSA-N -1 0 319.310 -0.502 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)s1 ZINC000316442211 964012474 /nfs/dbraw/zinc/01/24/74/964012474.db2.gz RTDOUFLJIFVNCM-NKWVEPMBSA-N -1 0 307.349 -0.580 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)N2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000316706671 964045792 /nfs/dbraw/zinc/04/57/92/964045792.db2.gz QUOGRRCALZJJSI-OLZOCXBDSA-N -1 0 308.334 -0.078 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)c1cccc(C(=O)[O-])c1 ZINC001598641380 1017364996 /nfs/dbraw/zinc/36/49/96/1017364996.db2.gz CHRHNEWYSPYPGJ-UHFFFAOYSA-N -1 0 307.306 -0.681 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2C[C@H](CO)[C@H](O)C2)c1 ZINC000316927760 964074285 /nfs/dbraw/zinc/07/42/85/964074285.db2.gz WFLZZFVBVRTIKZ-MWLCHTKSSA-N -1 0 301.320 -0.642 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)c1 ZINC000316927757 964074303 /nfs/dbraw/zinc/07/43/03/964074303.db2.gz WFLZZFVBVRTIKZ-GXSJLCMTSA-N -1 0 301.320 -0.642 20 0 DBADRM O=C([O-])c1cnc(N2CCN3C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000316942031 964077241 /nfs/dbraw/zinc/07/72/41/964077241.db2.gz ZTXSSMJOLXVCLM-QMMMGPOBSA-N -1 0 307.266 -0.098 20 0 DBADRM CNC(=O)Cc1nc(CN2CCC[C@H](O)[C@@H]2C(=O)[O-])cs1 ZINC001598648737 1017368823 /nfs/dbraw/zinc/36/88/23/1017368823.db2.gz SSLSWWXKQWEJNT-JOYOIKCWSA-N -1 0 313.379 -0.159 20 0 DBADRM CC(F)(F)CCC(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001486007946 1013552319 /nfs/dbraw/zinc/55/23/19/1013552319.db2.gz FJLGLHXMFVOQAI-ZETCQYMHSA-N -1 0 307.301 -0.488 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001486018749 1013568564 /nfs/dbraw/zinc/56/85/64/1013568564.db2.gz DQTWXUUSPHEBNV-WRWGMCAJSA-N -1 0 323.397 -0.097 20 0 DBADRM O=C(C[C@@H]1CC=CCC1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001486023223 1013578218 /nfs/dbraw/zinc/57/82/18/1013578218.db2.gz AFNJYVVSSSUBDU-GHMZBOCLSA-N -1 0 309.370 -0.177 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C1CC2(CCC2)C1 ZINC001486026802 1013584934 /nfs/dbraw/zinc/58/49/34/1013584934.db2.gz GQMOSHHSSQLSMC-SNVBAGLBSA-N -1 0 309.370 -0.343 20 0 DBADRM CNC(=O)NCCC(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001598653243 1017371887 /nfs/dbraw/zinc/37/18/87/1017371887.db2.gz KKULYJRMMLGJPA-VIFPVBQESA-N -1 0 315.326 -0.686 20 0 DBADRM COC(OC)[C@H](C)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599062715 1017501677 /nfs/dbraw/zinc/50/16/77/1017501677.db2.gz XKYWITQNLYSSDU-QMMMGPOBSA-N -1 0 305.331 -0.726 20 0 DBADRM COC1CCC(CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001599101250 1017514585 /nfs/dbraw/zinc/51/45/85/1017514585.db2.gz LSSFPOPMYAGFET-RTBKNWGFSA-N -1 0 304.318 -0.153 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCN(C)CCO ZINC001600834860 1017736503 /nfs/dbraw/zinc/73/65/03/1017736503.db2.gz GFXMQQATBAOVOE-UHFFFAOYSA-N -1 0 306.340 -0.511 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCCOC1CCOCC1 ZINC001604133893 1018301650 /nfs/dbraw/zinc/30/16/50/1018301650.db2.gz MJTCNEWYIHMMBR-UHFFFAOYSA-N -1 0 302.327 -0.769 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC(NC(=O)N(C)C)CC1 ZINC001604450331 1018383760 /nfs/dbraw/zinc/38/37/60/1018383760.db2.gz GMPXWLQPXBBUSJ-CYBMUJFWSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)NCC(=O)[O-] ZINC001604395898 1018369916 /nfs/dbraw/zinc/36/99/16/1018369916.db2.gz ALRNMRBVHLGVAO-SFYZADRCSA-N -1 0 305.308 -0.933 20 0 DBADRM CC(C)(NC(=O)CNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000040909972 967520209 /nfs/dbraw/zinc/52/02/09/967520209.db2.gz ACQGVJAHVREKRF-UHFFFAOYSA-N -1 0 300.336 -0.056 20 0 DBADRM O=C([O-])C[C@H]1CCCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000054300584 967538406 /nfs/dbraw/zinc/53/84/06/967538406.db2.gz JVACGICAHSFRHR-GHMZBOCLSA-N -1 0 318.395 -0.524 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@@H]1OC ZINC000234892147 967757525 /nfs/dbraw/zinc/75/75/25/967757525.db2.gz HKPFVUUUXDMEKJ-PHIMTYICSA-N -1 0 322.383 -0.627 20 0 DBADRM C[C@@H]1CCCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)[C@@H]1C(=O)[O-] ZINC000300294192 967909626 /nfs/dbraw/zinc/90/96/26/967909626.db2.gz IBRHWAVVRJQDOJ-SCVCMEIPSA-N -1 0 318.395 -0.525 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCN(c3nccs3)CC2)nn1 ZINC000316720422 967981538 /nfs/dbraw/zinc/98/15/38/967981538.db2.gz LRGSRINQVGHNHI-UHFFFAOYSA-N -1 0 322.350 -0.218 20 0 DBADRM COC(=O)COCCNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001606474210 1018846802 /nfs/dbraw/zinc/84/68/02/1018846802.db2.gz QAKYRXNHOWOTLD-UHFFFAOYSA-N -1 0 323.348 -0.086 20 0 DBADRM CN(Cc1ccco1)C(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000396675664 968228484 /nfs/dbraw/zinc/22/84/84/968228484.db2.gz UCOJBWYIRFHIAM-UHFFFAOYSA-N -1 0 309.322 -0.533 20 0 DBADRM CCC1(C(=O)N(C)C[C@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001486347991 1013824118 /nfs/dbraw/zinc/82/41/18/1013824118.db2.gz VRQZGLYQZRDFIX-SNVBAGLBSA-N -1 0 311.386 -0.048 20 0 DBADRM COCCN(CCNC(=O)c1cnc(C)[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001486427439 1013838246 /nfs/dbraw/zinc/83/82/46/1013838246.db2.gz PWPMYXBOSFSGEQ-UHFFFAOYSA-N -1 0 323.357 -0.580 20 0 DBADRM CCN(C)C(=O)CNC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001596184415 1017116497 /nfs/dbraw/zinc/11/64/97/1017116497.db2.gz YSWCYUWYMIDERM-UHFFFAOYSA-N -1 0 309.326 -0.305 20 0 DBADRM C[C@@H](CNC(=O)C(C)(C)F)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001486785128 1013880643 /nfs/dbraw/zinc/88/06/43/1013880643.db2.gz OTOCEAFUELHQRV-LURJTMIESA-N -1 0 315.305 -0.392 20 0 DBADRM C/C=C(\C)C(=O)N(C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001486940751 1013905008 /nfs/dbraw/zinc/90/50/08/1013905008.db2.gz MIUOFRMPRCXATH-WVXIBAHESA-N -1 0 309.326 -0.174 20 0 DBADRM CCCC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CC ZINC001487091341 1013943400 /nfs/dbraw/zinc/94/34/00/1013943400.db2.gz RLOMITHCKVFRSS-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM CCCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001487279675 1013968124 /nfs/dbraw/zinc/96/81/24/1013968124.db2.gz IFQXWDMNFZXMJQ-PSVAKVPMSA-N -1 0 321.337 -0.483 20 0 DBADRM COCCn1nc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)ccc1=O ZINC000317425504 970358294 /nfs/dbraw/zinc/35/82/94/970358294.db2.gz KYXONCIWNYITOR-UWVGGRQHSA-N -1 0 309.322 -0.175 20 0 DBADRM Cc1noc(CCC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)n1 ZINC000317558848 970369434 /nfs/dbraw/zinc/36/94/34/970369434.db2.gz ZTUNOCIWQCRPCX-UHFFFAOYSA-N -1 0 306.282 -0.316 20 0 DBADRM CN1CC(=O)N(CC(=O)Nc2cccc(C(=O)[O-])c2O)C1=O ZINC000317716195 970382511 /nfs/dbraw/zinc/38/25/11/970382511.db2.gz IYEDIDCSTSUUKI-UHFFFAOYSA-N -1 0 307.262 -0.077 20 0 DBADRM C[C@]1(O)CCCN(C(=O)NCCn2cc(C(=O)[O-])nn2)CC1 ZINC000318039206 970405590 /nfs/dbraw/zinc/40/55/90/970405590.db2.gz WTRBFONXPHEWGG-ZDUSSCGKSA-N -1 0 311.342 -0.077 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)c1cnn2ccncc12 ZINC000318182060 970416177 /nfs/dbraw/zinc/41/61/77/970416177.db2.gz OQGJHCIUBMKAKW-JTQLQIEISA-N -1 0 300.278 -0.122 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cnn2ccncc12)C(=O)[O-] ZINC000318556322 970445171 /nfs/dbraw/zinc/44/51/71/970445171.db2.gz NHOXNXSXMLHQMS-SECBINFHSA-N -1 0 306.278 -0.135 20 0 DBADRM CC(C)C(=O)NCCC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001487525124 1014000275 /nfs/dbraw/zinc/00/02/75/1014000275.db2.gz MBQCNMLPLLBTGG-VIFPVBQESA-N -1 0 313.358 -0.254 20 0 DBADRM C[C@H](O)C[C@@H]1CCCN1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000319459671 970537369 /nfs/dbraw/zinc/53/73/69/970537369.db2.gz UVSXOKFCARRWBV-UWVGGRQHSA-N -1 0 311.342 -0.079 20 0 DBADRM C[C@H](O)C[C@H]1CCCN1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000319459672 970538734 /nfs/dbraw/zinc/53/87/34/970538734.db2.gz UVSXOKFCARRWBV-VHSXEESVSA-N -1 0 311.342 -0.079 20 0 DBADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1C(=O)CNC1=O ZINC000320372728 970656108 /nfs/dbraw/zinc/65/61/08/970656108.db2.gz UGTMYUDBZBREGH-NSHDSACASA-N -1 0 317.301 -0.424 20 0 DBADRM C[C@H](CN(C)C(=O)C1=CCCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001487748084 1014027992 /nfs/dbraw/zinc/02/79/92/1014027992.db2.gz LWPMRTSBYYSUKL-MRVPVSSYSA-N -1 0 321.337 -0.030 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001487856531 1014044907 /nfs/dbraw/zinc/04/49/07/1014044907.db2.gz RLJHZONVPOXVST-HRDYMLBCSA-N -1 0 311.342 -0.692 20 0 DBADRM C[C@@H]1CN(C(=O)NCC2(S(C)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC000393681371 972626930 /nfs/dbraw/zinc/62/69/30/972626930.db2.gz DPKYIPJAMYPTID-RKDXNWHRSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@@H](CN(C)C(=O)C(C)(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001487900216 1014052919 /nfs/dbraw/zinc/05/29/19/1014052919.db2.gz CGCIGVNUVOZHHC-ZETCQYMHSA-N -1 0 311.342 -0.094 20 0 DBADRM C[C@H](CN(C)C(=O)C(C)(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001487900215 1014053158 /nfs/dbraw/zinc/05/31/58/1014053158.db2.gz CGCIGVNUVOZHHC-SSDOTTSWSA-N -1 0 311.342 -0.094 20 0 DBADRM CO[C@@H]1[C@H]2C[C@H]3CN(S(=O)(=O)N(C)CCC(=O)[O-])[C@H]1[C@H]3C2 ZINC000394256697 972691339 /nfs/dbraw/zinc/69/13/39/972691339.db2.gz XUBSNTUNEUFDLE-ZIIUWJBSSA-N -1 0 318.395 -0.007 20 0 DBADRM COC[C@@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000394595114 972722111 /nfs/dbraw/zinc/72/21/11/972722111.db2.gz AVRBFZWQWMROAB-NSHDSACASA-N -1 0 304.324 -0.545 20 0 DBADRM Cn1nncc1CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000395050242 972773212 /nfs/dbraw/zinc/77/32/12/972773212.db2.gz NNSIGRGZRNWOTB-UHFFFAOYSA-N -1 0 311.323 -0.227 20 0 DBADRM N#Cc1ncccc1S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000395513104 972801992 /nfs/dbraw/zinc/80/19/92/972801992.db2.gz XNFWQXCVOZRXHL-UHFFFAOYSA-N -1 0 311.319 -0.447 20 0 DBADRM COC(=O)N1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000395731521 972826132 /nfs/dbraw/zinc/82/61/32/972826132.db2.gz TUCCFMBLMLPFAE-UHFFFAOYSA-N -1 0 313.354 -0.306 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C[C@H]1O ZINC000395781147 972828529 /nfs/dbraw/zinc/82/85/29/972828529.db2.gz CTRMXBKKYLKVFE-GHMZBOCLSA-N -1 0 301.320 -0.235 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2ccsc2C(=O)[O-])C[C@H]1O ZINC000395786240 972831053 /nfs/dbraw/zinc/83/10/53/972831053.db2.gz HWNJXJHZRUESBG-RNFRBKRXSA-N -1 0 307.349 -0.174 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C[C@H]1O ZINC000395865862 972837237 /nfs/dbraw/zinc/83/72/37/972837237.db2.gz VFWQJWBGEWJOAN-GHMZBOCLSA-N -1 0 319.310 -0.096 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N2CCC3(C2)OCCO3)c1 ZINC000396529598 972913518 /nfs/dbraw/zinc/91/35/18/972913518.db2.gz IGMYPRFPQNLIRH-UHFFFAOYSA-N -1 0 314.319 -0.083 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N[C@H]2CCNC(=O)CC2)c1 ZINC000396659263 972932031 /nfs/dbraw/zinc/93/20/31/972932031.db2.gz NWJIZTPNSDVHEV-SECBINFHSA-N -1 0 313.335 -0.273 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N[C@H]1CCNC(=O)CC1 ZINC000396686067 972933207 /nfs/dbraw/zinc/93/32/07/972933207.db2.gz YZSKTFVNEOSBAX-ZCFIWIBFSA-N -1 0 319.364 -0.212 20 0 DBADRM CCN(CC)C(=O)N1CCC(C(=O)N[C@H](CO)C(=O)[O-])CC1 ZINC001596248749 1017122564 /nfs/dbraw/zinc/12/25/64/1017122564.db2.gz BVIYMMJEIIKEFN-LLVKDONJSA-N -1 0 315.370 -0.278 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC000396846363 972944420 /nfs/dbraw/zinc/94/44/20/972944420.db2.gz CCVNMJWLZKLQTF-IUCAKERBSA-N -1 0 319.335 -0.350 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000396883872 972947263 /nfs/dbraw/zinc/94/72/63/972947263.db2.gz MRYPDWIEXUVALB-HTQZYQBOSA-N -1 0 321.376 -0.190 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC000396883880 972949014 /nfs/dbraw/zinc/94/90/14/972949014.db2.gz MRYPDWIEXUVALB-YUMQZZPRSA-N -1 0 321.376 -0.190 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@@H](O)[C@H](CO)C2)cc1C(=O)[O-] ZINC000396903228 972949739 /nfs/dbraw/zinc/94/97/39/972949739.db2.gz XZGGXBPXDFRPOL-GZMMTYOYSA-N -1 0 318.351 -0.913 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@H](O)[C@H](CO)C2)cc1C(=O)[O-] ZINC000396903231 972949897 /nfs/dbraw/zinc/94/98/97/972949897.db2.gz XZGGXBPXDFRPOL-KWQFWETISA-N -1 0 318.351 -0.913 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCCC2(O)CCC2)CC1 ZINC000398254393 973092843 /nfs/dbraw/zinc/09/28/43/973092843.db2.gz PEWMNVDKVZOCQS-UHFFFAOYSA-N -1 0 306.384 -0.078 20 0 DBADRM Cn1cc(S(=O)(=O)NC2(CC(=O)[O-])CC2)cc1C(N)=O ZINC000398266120 973098128 /nfs/dbraw/zinc/09/81/28/973098128.db2.gz XHHJRUVSGAXEDL-UHFFFAOYSA-N -1 0 301.324 -0.590 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Cn1cnc2sccc2c1=O ZINC000398268515 973099526 /nfs/dbraw/zinc/09/95/26/973099526.db2.gz FUANSAQTKGNOKG-ZETCQYMHSA-N -1 0 311.319 -0.590 20 0 DBADRM CS(=O)(=O)Nc1ccc(C(=O)NC[C@H](O)CC(=O)[O-])cc1 ZINC000398311978 973111496 /nfs/dbraw/zinc/11/14/96/973111496.db2.gz ZPXMMXDXYQQKJQ-SNVBAGLBSA-N -1 0 316.335 -0.377 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)NC[C@@H]2CNC(=O)C2)cc1 ZINC000398340486 973122824 /nfs/dbraw/zinc/12/28/24/973122824.db2.gz DHHNEVUWDLZXPT-JTQLQIEISA-N -1 0 312.347 -0.272 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC1(CC(=O)[O-])CC1 ZINC000398403815 973136616 /nfs/dbraw/zinc/13/66/16/973136616.db2.gz XVLYXCJPCFBWEK-VIFPVBQESA-N -1 0 320.367 -0.144 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@@H](C)C2CC2)c1[O-] ZINC001487970806 1014087116 /nfs/dbraw/zinc/08/71/16/1014087116.db2.gz OGTBTYIRRARXFS-OIBJUYFYSA-N -1 0 310.354 -0.323 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)C2CCCC2)c1[O-] ZINC001487978594 1014092165 /nfs/dbraw/zinc/09/21/65/1014092165.db2.gz REKOVXJOSUHAQN-JTQLQIEISA-N -1 0 310.354 -0.179 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)c2cc(C(=O)[O-])on2)C1 ZINC000400243437 973261034 /nfs/dbraw/zinc/26/10/34/973261034.db2.gz XWTBXOVOOBTDEP-LURJTMIESA-N -1 0 303.296 -0.864 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)c2ccoc2CC(=O)[O-])C1 ZINC000400277694 973263900 /nfs/dbraw/zinc/26/39/00/973263900.db2.gz PQTJEZSBRMFSGX-MRVPVSSYSA-N -1 0 316.335 -0.330 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCCCN2CCOCC2)C1 ZINC000401787735 973392230 /nfs/dbraw/zinc/39/22/30/973392230.db2.gz LTJBSYZHERIXTP-VXGBXAGGSA-N -1 0 315.370 -0.814 20 0 DBADRM C[C@@H]1[C@H](NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CCS1(=O)=O ZINC000401811573 973407656 /nfs/dbraw/zinc/40/76/56/973407656.db2.gz DNECKRYMWXLTHG-XFWSIPNHSA-N -1 0 320.367 -0.961 20 0 DBADRM CO[C@]1(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CCOC1 ZINC000401818618 973417034 /nfs/dbraw/zinc/41/70/34/973417034.db2.gz JDKQIGBDLGKFKZ-CWSCBRNRSA-N -1 0 302.327 -0.731 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1C ZINC000401820969 973420466 /nfs/dbraw/zinc/42/04/66/973420466.db2.gz JZCJVCSPXGUKBV-NXEZZACHSA-N -1 0 309.322 -0.695 20 0 DBADRM CS(=O)(=O)c1cccnc1N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401850826 973450912 /nfs/dbraw/zinc/45/09/12/973450912.db2.gz ZPTIYKCQSFRWMA-BDAKNGLRSA-N -1 0 300.336 -0.243 20 0 DBADRM N#Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC000401902457 973509012 /nfs/dbraw/zinc/50/90/12/973509012.db2.gz DZZSQGIKMQFZKM-WPRPVWTQSA-N -1 0 311.319 -0.591 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@](C)(O)C2CCC2)CCO1 ZINC001604541158 973514803 /nfs/dbraw/zinc/51/48/03/973514803.db2.gz KAERBKVGBFKXCQ-KGLIPLIRSA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC000401939092 973547633 /nfs/dbraw/zinc/54/76/33/973547633.db2.gz NYHVZUBDYWQVEZ-WOPDTQHZSA-N -1 0 320.349 -0.261 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)Cn2c(=O)oc3ccccc32)C1 ZINC000401950329 973556205 /nfs/dbraw/zinc/55/62/05/973556205.db2.gz UJWWXFLYPZFVJZ-VHSXEESVSA-N -1 0 320.301 -0.112 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401962848 973567641 /nfs/dbraw/zinc/56/76/41/973567641.db2.gz YNKLLRZZXRFYJH-YIZRAAEISA-N -1 0 319.383 -0.930 20 0 DBADRM CCn1cnc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1 ZINC000401965723 973570570 /nfs/dbraw/zinc/57/05/70/973570570.db2.gz DVJWKEDBNHQQMW-RKDXNWHRSA-N -1 0 303.340 -0.641 20 0 DBADRM CCn1cnc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC000401965721 973570953 /nfs/dbraw/zinc/57/09/53/973570953.db2.gz DVJWKEDBNHQQMW-DTWKUNHWSA-N -1 0 303.340 -0.641 20 0 DBADRM C[C@@H]1CCCCN1S(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401969880 973576640 /nfs/dbraw/zinc/57/66/40/973576640.db2.gz KLLFBPLQCFTJJB-OUAUKWLOSA-N -1 0 306.384 -0.127 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(S(=O)(=O)N2CCCCCC2)C1 ZINC000401971365 973577821 /nfs/dbraw/zinc/57/78/21/973577821.db2.gz MXDQDZOJESTQAX-GHMZBOCLSA-N -1 0 306.384 -0.125 20 0 DBADRM CN([C@H]1CCCOC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000402182241 973602318 /nfs/dbraw/zinc/60/23/18/973602318.db2.gz BEANYTFFFQQDOY-VIFPVBQESA-N -1 0 303.340 -0.233 20 0 DBADRM Cc1nocc1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000402796645 973650848 /nfs/dbraw/zinc/65/08/48/973650848.db2.gz WQGPUUAAGWWMJJ-QMMMGPOBSA-N -1 0 302.308 -0.303 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)[C@]2(F)CCS(=O)(=O)C2)n1 ZINC001574212343 1026727739 /nfs/dbraw/zinc/72/77/39/1026727739.db2.gz UDXHQFRGSKDASA-JTQLQIEISA-N -1 0 305.287 -0.416 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001574345818 1026765333 /nfs/dbraw/zinc/76/53/33/1026765333.db2.gz PLTCCDLACHAZMD-LYFYHCNISA-N -1 0 321.273 -0.539 20 0 DBADRM CCn1cc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)nn1 ZINC000404469266 973728721 /nfs/dbraw/zinc/72/87/21/973728721.db2.gz PCKVTOFBEPUHCH-UHFFFAOYSA-N -1 0 314.327 -0.942 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)NC2(CC(=O)[O-])COC2)co1 ZINC001574059382 1026697960 /nfs/dbraw/zinc/69/79/60/1026697960.db2.gz JTEAWCDNUHJTFF-UHFFFAOYSA-N -1 0 303.292 -0.343 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)[O-] ZINC001574066005 1026699757 /nfs/dbraw/zinc/69/97/57/1026699757.db2.gz IJTOHPSXNYNWEO-UWVGGRQHSA-N -1 0 323.367 -0.261 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC001574098188 1026704128 /nfs/dbraw/zinc/70/41/28/1026704128.db2.gz YOJGTVXAHPHFCF-SFYZADRCSA-N -1 0 314.385 -0.572 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCN2CCCS2(=O)=O)on1 ZINC000405835077 973906930 /nfs/dbraw/zinc/90/69/30/973906930.db2.gz OQUCJYDDSNHTPQ-UHFFFAOYSA-N -1 0 303.296 -0.862 20 0 DBADRM CCC1(C(=O)NC[C@@H](CO)NC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001488086434 1014208854 /nfs/dbraw/zinc/20/88/54/1014208854.db2.gz GSEACSNPURJBPK-VIFPVBQESA-N -1 0 310.354 -0.179 20 0 DBADRM CC(C)OC[C@H](CO)N(C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001591718358 975626198 /nfs/dbraw/zinc/62/61/98/975626198.db2.gz ODRDQOAWCLIKOI-QMMMGPOBSA-N -1 0 322.339 -0.221 20 0 DBADRM CC(=O)N[C@@H]1CC[C@@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001488276535 1014312751 /nfs/dbraw/zinc/31/27/51/1014312751.db2.gz JUFGIRICCMRDAE-NXEZZACHSA-N -1 0 323.353 -0.364 20 0 DBADRM CC[C@H](C)C(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001527931985 1014314060 /nfs/dbraw/zinc/31/40/60/1014314060.db2.gz KNWSSCNIWULIJJ-VIFPVBQESA-N -1 0 310.354 -0.280 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@H]2COCCO2)c1[O-] ZINC001527940589 1014317649 /nfs/dbraw/zinc/31/76/49/1014317649.db2.gz UPQJNGMSAKYEEX-SECBINFHSA-N -1 0 312.326 -0.973 20 0 DBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CCC(OC)CC2)C1 ZINC000926590377 977445417 /nfs/dbraw/zinc/44/54/17/977445417.db2.gz BQOCDZVGKDALSV-QWRGUYRKSA-N -1 0 322.383 -0.484 20 0 DBADRM COCC1(S(=O)(=O)N2[C@@H](C(=O)[O-])C[C@@H]3OCC[C@@H]32)CC1 ZINC000926594942 977445735 /nfs/dbraw/zinc/44/57/35/977445735.db2.gz FPKLPKMUMDPCLT-AEJSXWLSSA-N -1 0 305.352 -0.188 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947758259 977450523 /nfs/dbraw/zinc/45/05/23/977450523.db2.gz KTYJQMFESWUAHY-UWVGGRQHSA-N -1 0 319.369 -0.055 20 0 DBADRM CCC(=O)N1CC[C@@H](N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001051956511 977578798 /nfs/dbraw/zinc/57/87/98/977578798.db2.gz PCBUKXAUCUHUMB-LLVKDONJSA-N -1 0 308.386 -0.361 20 0 DBADRM O=C(C1CC1)N1CC[C@@H](N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001051963462 977581891 /nfs/dbraw/zinc/58/18/91/977581891.db2.gz UWLYAGVHTYKTQX-GFCCVEGCSA-N -1 0 320.397 -0.361 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@H]1CC=CCC1 ZINC001528454453 1014414976 /nfs/dbraw/zinc/41/49/76/1014414976.db2.gz NMBWBKNXWPEXEV-VIFPVBQESA-N -1 0 321.337 -0.173 20 0 DBADRM C=C/C(C)=C\CC(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001528454543 1014415227 /nfs/dbraw/zinc/41/52/27/1014415227.db2.gz RKXFNLGYDTWORB-UITAMQMPSA-N -1 0 321.337 -0.007 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)C1=COCCO1 ZINC001052173459 977665460 /nfs/dbraw/zinc/66/54/60/977665460.db2.gz RLFXERLGRJENOS-JTQLQIEISA-N -1 0 323.353 -0.131 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001052256158 977680257 /nfs/dbraw/zinc/68/02/57/977680257.db2.gz SHGFRBBWYRFTEH-NXEZZACHSA-N -1 0 322.369 -0.740 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)c1nnc[nH]1 ZINC001052805764 977818989 /nfs/dbraw/zinc/81/89/89/977818989.db2.gz UUVQRNSOMFNYAN-QMMMGPOBSA-N -1 0 306.330 -0.587 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001052879242 977829184 /nfs/dbraw/zinc/82/91/84/977829184.db2.gz SHGFRBBWYRFTEH-ZJUUUORDSA-N -1 0 322.369 -0.740 20 0 DBADRM CCC(=O)NC[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001053116244 977853230 /nfs/dbraw/zinc/85/32/30/977853230.db2.gz VYSATJJDHZOXNK-IUCAKERBSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@H]2CCC(=O)N2C)c1[O-] ZINC001528544449 1014435039 /nfs/dbraw/zinc/43/50/39/1014435039.db2.gz AYRRVYMPEJMYHP-SECBINFHSA-N -1 0 323.353 -0.767 20 0 DBADRM CCN(OC)C(=O)CN1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001596380515 1017133914 /nfs/dbraw/zinc/13/39/14/1017133914.db2.gz LOTCZTJENQOELP-BDAKNGLRSA-N -1 0 313.310 -0.476 20 0 DBADRM CC(C)N1CC2(C1)CN(C(=O)Cn1c(=O)[n-][nH]c1=O)CCO2 ZINC001053519028 977981654 /nfs/dbraw/zinc/98/16/54/977981654.db2.gz IGNXPJYDBOXHSM-UHFFFAOYSA-N -1 0 311.342 -0.989 20 0 DBADRM CCCN1CC2(C1)CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)O2 ZINC001053627070 978012618 /nfs/dbraw/zinc/01/26/18/978012618.db2.gz MKUFTYKKKALCHJ-VIFPVBQESA-N -1 0 323.353 -0.344 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)[C@H]1CCCO1 ZINC001053730103 978043092 /nfs/dbraw/zinc/04/30/92/978043092.db2.gz YBNKMSJPOGMENH-VHSXEESVSA-N -1 0 323.353 -0.851 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1cn[nH]c1 ZINC001053749321 978053111 /nfs/dbraw/zinc/05/31/11/978053111.db2.gz NUJORWQKIZLWFQ-SECBINFHSA-N -1 0 319.325 -0.993 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001596383579 1017134434 /nfs/dbraw/zinc/13/44/34/1017134434.db2.gz BFSXRKSYMHRZQH-UHFFFAOYSA-N -1 0 320.323 -0.026 20 0 DBADRM CS(=O)(=O)c1ccc(COC(=O)[C@H](O)CC(=O)[O-])cc1 ZINC001209886043 978483495 /nfs/dbraw/zinc/48/34/95/978483495.db2.gz HESZBJBLXDZMEK-SNVBAGLBSA-N -1 0 302.304 -0.031 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)/C=C/C1CC1 ZINC001528987542 1014500234 /nfs/dbraw/zinc/50/02/34/1014500234.db2.gz BSDLEEZCPIOURZ-AATRIKPKSA-N -1 0 323.353 -0.380 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H](C)SC ZINC001211911078 978592126 /nfs/dbraw/zinc/59/21/26/978592126.db2.gz BNFOATVMUKOFGZ-IWSPIJDZSA-N -1 0 315.399 -0.423 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)COC(C)C ZINC001211982333 978603521 /nfs/dbraw/zinc/60/35/21/978603521.db2.gz SPDBPJSSZHBNDM-NXEZZACHSA-N -1 0 313.358 -0.749 20 0 DBADRM CO[C@@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001212012125 978605178 /nfs/dbraw/zinc/60/51/78/978605178.db2.gz NTIYXFHCGKVEBC-IVZWLZJFSA-N -1 0 313.358 -0.749 20 0 DBADRM CC[C@@H](OC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001212001960 978605218 /nfs/dbraw/zinc/60/52/18/978605218.db2.gz CPAYBCZQSOBJAC-OPRDCNLKSA-N -1 0 313.358 -0.749 20 0 DBADRM CCOCCN1C[C@H]2OCCN(C(=O)c3n[nH]c(C)c3[O-])[C@H]2C1 ZINC001217642883 978811632 /nfs/dbraw/zinc/81/16/32/978811632.db2.gz BJZVCWXLKSMZBM-NWDGAFQWSA-N -1 0 324.381 -0.015 20 0 DBADRM O=C(CC(F)(F)F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219309557 978911219 /nfs/dbraw/zinc/91/12/19/978911219.db2.gz WOSHPKXISLMVQA-RITPCOANSA-N -1 0 309.248 -0.876 20 0 DBADRM CC(C)(C)/C=C\C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219385299 978929989 /nfs/dbraw/zinc/92/99/89/978929989.db2.gz JLIVTZGHGVGREX-OOMSKYPHSA-N -1 0 309.370 -0.226 20 0 DBADRM CCN1C[C@H](CNC(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])CC1=O ZINC001596398073 1017136393 /nfs/dbraw/zinc/13/63/93/1017136393.db2.gz SCUBCBRAMISNSX-NHCYSSNCSA-N -1 0 313.354 -0.356 20 0 DBADRM O=C(C=Cc1ccc[nH]1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219519458 978954901 /nfs/dbraw/zinc/95/49/01/978954901.db2.gz QTTVZURJHVXPKQ-CJOPTALJSA-N -1 0 318.337 -0.787 20 0 DBADRM CC(C)CC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CC1 ZINC001219778904 979013610 /nfs/dbraw/zinc/01/36/10/979013610.db2.gz YTVYIVLRSYGOIJ-MNOVXSKESA-N -1 0 323.397 -0.002 20 0 DBADRM O=C(NCCOP(=O)([O-])[O-])[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001220220771 979139175 /nfs/dbraw/zinc/13/91/75/979139175.db2.gz DXJGJNNVCMIMBW-CMPLNLGQSA-N -1 0 322.298 -0.239 20 0 DBADRM O=C(NCCOP(=O)([O-])[O-])[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220221192 979139887 /nfs/dbraw/zinc/13/98/87/979139887.db2.gz UWRXKKVZTPMBAE-GHMZBOCLSA-N -1 0 321.314 -0.714 20 0 DBADRM CC1(CCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CC1 ZINC001220680335 979268235 /nfs/dbraw/zinc/26/82/35/979268235.db2.gz XLOWXCNZRNRCGL-ZJUUUORDSA-N -1 0 309.370 -0.248 20 0 DBADRM CCN1C[C@@H](NC(=O)COCc2ocnc2C(=O)[O-])CC1=O ZINC001596398499 1017137191 /nfs/dbraw/zinc/13/71/91/1017137191.db2.gz XVMXRIDQORSZJJ-QMMMGPOBSA-N -1 0 311.294 -0.374 20 0 DBADRM CCN1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C[C@@H]1C ZINC001596396423 1017137430 /nfs/dbraw/zinc/13/74/30/1017137430.db2.gz RXKNZUPNDJXVBX-SDDRHHMPSA-N -1 0 311.382 -0.139 20 0 DBADRM Cc1nc2ccccn2c(=O)c1CCOC(=O)[C@H](O)CC(=O)[O-] ZINC001222098385 979491820 /nfs/dbraw/zinc/49/18/20/979491820.db2.gz UKJJWTXOOAYHKY-LLVKDONJSA-N -1 0 320.301 -0.076 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OCCn1ccnc1 ZINC001222134204 979497198 /nfs/dbraw/zinc/49/71/98/979497198.db2.gz BRQPJOKUAXNJFC-LBPRGKRZSA-N -1 0 319.383 -0.512 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OCc1ncccn1 ZINC001222256528 979503983 /nfs/dbraw/zinc/50/39/83/979503983.db2.gz NVHLXDBVMCSXHO-NSHDSACASA-N -1 0 317.367 -0.418 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OCc1ncc[nH]1 ZINC001222873807 979527398 /nfs/dbraw/zinc/52/73/98/979527398.db2.gz HVAUKIXNPHOBBO-JTQLQIEISA-N -1 0 305.356 -0.485 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCc1ncc[nH]1 ZINC001222873808 979528888 /nfs/dbraw/zinc/52/88/88/979528888.db2.gz HVAUKIXNPHOBBO-SNVBAGLBSA-N -1 0 305.356 -0.485 20 0 DBADRM CCN1C[C@H](CN2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)CC1=O ZINC001596396093 1017137552 /nfs/dbraw/zinc/13/75/52/1017137552.db2.gz NQKXSWZKCCKGPG-TURQNECASA-N -1 0 309.322 -0.504 20 0 DBADRM O=S(=O)([O-])CCOC[C@H]1COCCOCCOCCO1 ZINC001224570503 979576478 /nfs/dbraw/zinc/57/64/78/979576478.db2.gz CBMAQEXJJCTVHW-LLVKDONJSA-N -1 0 314.356 -0.661 20 0 DBADRM COCOCCO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001224820044 979585595 /nfs/dbraw/zinc/58/55/95/979585595.db2.gz OLZYKTQDGDYMKZ-NSHDSACASA-N -1 0 313.372 -0.788 20 0 DBADRM CSc1nc2nc(C)cc(OC(=O)[C@@H](O)CC(=O)[O-])n2n1 ZINC001225535608 979598567 /nfs/dbraw/zinc/59/85/67/979598567.db2.gz HGLXKRPCCQRPKG-LURJTMIESA-N -1 0 312.307 -0.104 20 0 DBADRM Nc1ncc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])cn1 ZINC001225715339 979604363 /nfs/dbraw/zinc/60/43/63/979604363.db2.gz RBVISHZMRDEWPW-SNVBAGLBSA-N -1 0 318.355 -0.974 20 0 DBADRM COC(=O)[C@H](Oc1c([O-])c(=O)c(=O)c1=O)c1ccc(F)cc1 ZINC001225834680 979607535 /nfs/dbraw/zinc/60/75/35/979607535.db2.gz WWSJNEOSWMUOHE-GFCCVEGCSA-N -1 0 308.217 -0.219 20 0 DBADRM CCOC(=O)[C@@H](C)[C@H](Oc1c([O-])c(=O)c(=O)c1=O)C(F)(F)F ZINC001225833404 979607829 /nfs/dbraw/zinc/60/78/29/979607829.db2.gz LLRRHIUIIQRXAS-MFXDVPHUSA-N -1 0 324.207 -0.143 20 0 DBADRM CCOC(=O)C[C@@H](Oc1c([O-])c(=O)c(=O)c1=O)C(F)(F)F ZINC001225832441 979607976 /nfs/dbraw/zinc/60/79/76/979607976.db2.gz DMJIZCWNQLPYTG-SCSAIBSYSA-N -1 0 310.180 -0.389 20 0 DBADRM CC(C)(C)OC(=O)N1CC=C[C@@H](Oc2c([O-])c(=O)c(=O)c2=O)C1 ZINC001225831256 979608412 /nfs/dbraw/zinc/60/84/12/979608412.db2.gz RWXGJXWCJRLXFF-MRVPVSSYSA-N -1 0 323.301 -0.097 20 0 DBADRM O=c1c([O-])c(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c(=O)c1=O ZINC001225831724 979608477 /nfs/dbraw/zinc/60/84/77/979608477.db2.gz AVXZXEFWMQNWLL-AOOOYVTPSA-N -1 0 309.318 -0.629 20 0 DBADRM C[C@@H]1[C@H](Oc2c([O-])c(=O)c(=O)c2=O)CN1C(=O)OC(C)(C)C ZINC001225831520 979608506 /nfs/dbraw/zinc/60/85/06/979608506.db2.gz WPHHVAHIVRHNJG-RNFRBKRXSA-N -1 0 311.290 -0.265 20 0 DBADRM C[C@H](c1ccccn1)N1CC[C@@H](Oc2c([O-])c(=O)c(=O)c2=O)C1 ZINC001225830643 979608668 /nfs/dbraw/zinc/60/86/68/979608668.db2.gz MJPKXNKAWOGJFK-NXEZZACHSA-N -1 0 316.313 -0.042 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1cccc[n+]1[O-] ZINC001226797902 979649972 /nfs/dbraw/zinc/64/99/72/979649972.db2.gz ZOFBKIVWNZLMDT-LLVKDONJSA-N -1 0 318.351 -0.713 20 0 DBADRM CC(=O)OCC(COC(C)=O)Oc1[n-]c(=O)nc2nccnc21 ZINC001226990191 979652150 /nfs/dbraw/zinc/65/21/50/979652150.db2.gz RSFCOKJCUAXVTM-UHFFFAOYSA-N -1 0 322.277 -0.001 20 0 DBADRM CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001595154528 979659830 /nfs/dbraw/zinc/65/98/30/979659830.db2.gz NTUCUZDRYPGHLL-ZJUUUORDSA-N -1 0 321.337 -0.240 20 0 DBADRM O=C(CCn1ccnn1)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001227076730 979661884 /nfs/dbraw/zinc/66/18/84/979661884.db2.gz QIBBJDUJMIQYBL-UHFFFAOYSA-N -1 0 320.357 -0.727 20 0 DBADRM COC(=O)CN1C[C@H](Oc2[n-]ncc(=O)c2Cl)CC1=O ZINC001228388457 979672250 /nfs/dbraw/zinc/67/22/50/979672250.db2.gz WIGSZFYNLSZFQI-ZCFIWIBFSA-N -1 0 301.686 -0.012 20 0 DBADRM O=c1occcc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001229088866 979674916 /nfs/dbraw/zinc/67/49/16/979674916.db2.gz VJUAOUABQSPJIE-SNVBAGLBSA-N -1 0 319.335 -0.393 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nnc1C)Nc1ccnc(C(=O)[O-])n1 ZINC001595163827 979702257 /nfs/dbraw/zinc/70/22/57/979702257.db2.gz XRXHDEYMORDALR-QMMMGPOBSA-N -1 0 319.325 -0.356 20 0 DBADRM CC(C)=CC(=O)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001325817316 979717605 /nfs/dbraw/zinc/71/76/05/979717605.db2.gz GUWMCIHYVOTGTO-CQSZACIVSA-N -1 0 309.370 -0.080 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC001326577641 979744615 /nfs/dbraw/zinc/74/46/15/979744615.db2.gz LPGOHRQICDKYOH-UHFFFAOYSA-N -1 0 321.399 -0.768 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1nc(C)cs1 ZINC001326668784 979752329 /nfs/dbraw/zinc/75/23/29/979752329.db2.gz MMXKABMGUQNZMX-UHFFFAOYSA-N -1 0 314.367 -0.706 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)c1cnn(C)c1C ZINC001326669037 979752380 /nfs/dbraw/zinc/75/23/80/979752380.db2.gz SBLHVMOGMXMLJL-QMMMGPOBSA-N -1 0 311.342 -0.910 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC001326715591 979760656 /nfs/dbraw/zinc/76/06/56/979760656.db2.gz HRJCENHGGNSMBY-MNOVXSKESA-N -1 0 315.370 -0.820 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC001326748788 979762263 /nfs/dbraw/zinc/76/22/63/979762263.db2.gz CMOOWXYQEUDDOR-ZJUUUORDSA-N -1 0 301.343 -0.946 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@@H](CO)CC(C)C ZINC001326752388 979765148 /nfs/dbraw/zinc/76/51/48/979765148.db2.gz WJGVXFGBCXYRQU-SNVBAGLBSA-N -1 0 303.359 -0.964 20 0 DBADRM CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001326818322 979770896 /nfs/dbraw/zinc/77/08/96/979770896.db2.gz TWTCGUZHSGKKPJ-RYUDHWBXSA-N -1 0 316.354 -0.477 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@H](C)CCSC ZINC001327038026 979788092 /nfs/dbraw/zinc/78/80/92/979788092.db2.gz KNUBBOGLUBAEBJ-SECBINFHSA-N -1 0 305.400 -0.230 20 0 DBADRM Cn1cnc(CCNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC001327055857 979788264 /nfs/dbraw/zinc/78/82/64/979788264.db2.gz OMILLSCKXXPWPQ-UHFFFAOYSA-N -1 0 322.365 -0.208 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC001327038012 979788659 /nfs/dbraw/zinc/78/86/59/979788659.db2.gz KIYZOLCCKDIYEU-DTORHVGOSA-N -1 0 303.384 -0.477 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H]1c1cccnc1 ZINC001327037910 979788670 /nfs/dbraw/zinc/78/86/70/979788670.db2.gz JTJNEZHWMOEFLW-LBPRGKRZSA-N -1 0 320.349 -0.071 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)C(=O)[N-]OCc1ccccc1 ZINC001330855829 979841184 /nfs/dbraw/zinc/84/11/84/979841184.db2.gz GTUDRYVKDQDSMI-ZDUSSCGKSA-N -1 0 307.350 -0.319 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC001331096530 979854397 /nfs/dbraw/zinc/85/43/97/979854397.db2.gz ZZENQHDSIODUJG-BJDJZHNGSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001331096537 979856706 /nfs/dbraw/zinc/85/67/06/979856706.db2.gz ZZENQHDSIODUJG-KKOKHZNYSA-N -1 0 310.350 -0.007 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H](C)SC)C1 ZINC001331493882 979883175 /nfs/dbraw/zinc/88/31/75/979883175.db2.gz SULYSXPKKNRSSC-RNCFNFMXSA-N -1 0 318.395 -0.196 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)C1 ZINC001342803128 979908801 /nfs/dbraw/zinc/90/88/01/979908801.db2.gz VUJVOSRTCWOYIV-MNOVXSKESA-N -1 0 313.354 -0.802 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001343052068 979917486 /nfs/dbraw/zinc/91/74/86/979917486.db2.gz OWWLZWWHCRPAGE-HBNTYKKESA-N -1 0 313.354 -0.898 20 0 DBADRM C[C@]1(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1(F)F ZINC001343115306 979921215 /nfs/dbraw/zinc/92/12/15/979921215.db2.gz AUXACFLMCSMIAB-LLVKDONJSA-N -1 0 305.281 -0.030 20 0 DBADRM Cn1c(-c2nn[nH]n2)nnc1N1CCN(c2cnccn2)CC1 ZINC001343725558 979959083 /nfs/dbraw/zinc/95/90/83/979959083.db2.gz OETRKMZPQCKFDE-UHFFFAOYSA-N -1 0 313.329 -0.888 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)CN1CCCS1(=O)=O ZINC001344390595 979996005 /nfs/dbraw/zinc/99/60/05/979996005.db2.gz AUVDOAQALABQJT-UHFFFAOYSA-N -1 0 308.356 -0.589 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccnc3c2nnn3C)C1=O ZINC001344677546 980004718 /nfs/dbraw/zinc/00/47/18/980004718.db2.gz XPBIGLZBPVDTDH-ZDUSSCGKSA-N -1 0 317.309 -0.271 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1cccc(O)c1 ZINC001346357959 980133980 /nfs/dbraw/zinc/13/39/80/980133980.db2.gz NMZMNZLHWGNISD-UHFFFAOYSA-N -1 0 309.322 -0.765 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCNNCC1 ZINC001346364387 980135959 /nfs/dbraw/zinc/13/59/59/980135959.db2.gz XMKLODHRACCSMB-UHFFFAOYSA-N -1 0 312.395 -0.002 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)CCOCC1CC1 ZINC001346416225 980142053 /nfs/dbraw/zinc/14/20/53/980142053.db2.gz VGWJSULHBNIZQV-UHFFFAOYSA-N -1 0 301.343 -0.945 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)C(=O)NC[C@@H]3CCCOC3)ccnc1-2 ZINC001346530730 980152448 /nfs/dbraw/zinc/15/24/48/980152448.db2.gz BLEUKPVJBAFTRV-JTQLQIEISA-N -1 0 317.349 -0.177 20 0 DBADRM CCS(=O)(=O)CCCNC(=O)C[C@@]1(C(=O)[O-])CCOC1 ZINC001346626420 980160090 /nfs/dbraw/zinc/16/00/90/980160090.db2.gz YFQDTQLTHZQCDF-LBPRGKRZSA-N -1 0 307.368 -0.191 20 0 DBADRM COCCO[C@H]1CCCN(c2nnc(-c3nn[nH]n3)n2C)C1 ZINC001346791593 980169964 /nfs/dbraw/zinc/16/99/64/980169964.db2.gz RDGVQNZJNBQQKZ-VIFPVBQESA-N -1 0 308.346 -0.373 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)[N-]OC2CCOCC2)[C@@H]1OC ZINC001347234948 980208514 /nfs/dbraw/zinc/20/85/14/980208514.db2.gz OGRXPFIJUOLINV-UTUOFQBUSA-N -1 0 316.354 -0.478 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)c2cc(=O)n(C)[n-]2)cn1 ZINC001347561651 980232413 /nfs/dbraw/zinc/23/24/13/980232413.db2.gz UWZFXTSTHPXEFM-UHFFFAOYSA-N -1 0 322.325 -0.663 20 0 DBADRM O=C(c1nc2ncccn2n1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001347762970 980248482 /nfs/dbraw/zinc/24/84/82/980248482.db2.gz MOBMBJPDFMOYDG-MRVPVSSYSA-N -1 0 314.309 -0.032 20 0 DBADRM CCC(CC)C(=O)NCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001348504647 980313417 /nfs/dbraw/zinc/31/34/17/980313417.db2.gz JPWFPOCKQIATGR-UHFFFAOYSA-N -1 0 320.353 -0.300 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001595279575 980321191 /nfs/dbraw/zinc/32/11/91/980321191.db2.gz SKFIIHAFIREUPD-DCAQKATOSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001595279590 980321305 /nfs/dbraw/zinc/32/13/05/980321305.db2.gz SONBQLXKXFEYBC-VWYCJHECSA-N -1 0 314.338 -0.234 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2cn(C)ccc2=O)c1[O-] ZINC001348788625 980361226 /nfs/dbraw/zinc/36/12/26/980361226.db2.gz MEADSKCGQUCZPY-UHFFFAOYSA-N -1 0 319.321 -0.718 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@H](C)[C@@H]2CCC(=O)N2)c1[O-] ZINC001348788783 980361327 /nfs/dbraw/zinc/36/13/27/980361327.db2.gz NOJSYQFMCARGNA-APPZFPTMSA-N -1 0 323.353 -0.816 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)C(=O)[N-]OC2CCCCC2)C1=O ZINC001349049032 980404454 /nfs/dbraw/zinc/40/44/54/980404454.db2.gz WDAKIGXKEVCGGH-SNVBAGLBSA-N -1 0 311.338 -0.370 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H](F)C2)CCO1 ZINC001349355668 980458535 /nfs/dbraw/zinc/45/85/35/980458535.db2.gz NSOVTNPURMGCQX-OPRDCNLKSA-N -1 0 302.302 -0.305 20 0 DBADRM C[C@@H]1CCC[C@H](C(=O)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001349408280 980463986 /nfs/dbraw/zinc/46/39/86/980463986.db2.gz WBLLFYDVOPWLMS-BDAKNGLRSA-N -1 0 323.353 -0.045 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC001349429664 980467413 /nfs/dbraw/zinc/46/74/13/980467413.db2.gz ZABKSAYNWQLDFV-NXEZZACHSA-N -1 0 315.395 -0.618 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](OC)CC[C@@H]1C ZINC001349426605 980467642 /nfs/dbraw/zinc/46/76/42/980467642.db2.gz AYAMCZYEXBEMEG-VHSXEESVSA-N -1 0 301.343 -0.804 20 0 DBADRM CC(C)(CO)O[N-]C(=O)CNS(=O)(=O)c1ccccc1 ZINC001349447831 980468779 /nfs/dbraw/zinc/46/87/79/980468779.db2.gz USNNLFQBIWZUKL-UHFFFAOYSA-N -1 0 302.352 -0.216 20 0 DBADRM CC[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C(OC)OC ZINC001595311781 980474141 /nfs/dbraw/zinc/47/41/41/980474141.db2.gz ZONKRTCVSKOYML-ZETCQYMHSA-N -1 0 307.328 -0.216 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccn(C(C)C)n1 ZINC001349710313 980499405 /nfs/dbraw/zinc/49/94/05/980499405.db2.gz FNNVDWYHRCXKOO-UHFFFAOYSA-N -1 0 311.342 -0.736 20 0 DBADRM CC[C@@H](C)C(=O)NCCCNC(=O)c1cnc([O-])n(C)c1=O ZINC001349725460 980500630 /nfs/dbraw/zinc/50/06/30/980500630.db2.gz SXLFYZYUWRNUTL-SECBINFHSA-N -1 0 310.354 -0.232 20 0 DBADRM CC(C)C(=O)NCCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001349718185 980500693 /nfs/dbraw/zinc/50/06/93/980500693.db2.gz OFXGOKITSGQAKM-UHFFFAOYSA-N -1 0 305.338 -0.085 20 0 DBADRM CC[C@H](C)C(=O)NCCCNC(=O)c1cnc([O-])n(C)c1=O ZINC001349725462 980501016 /nfs/dbraw/zinc/50/10/16/980501016.db2.gz SXLFYZYUWRNUTL-VIFPVBQESA-N -1 0 310.354 -0.232 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)C(=O)NCC2CC2)c1[O-] ZINC001349905384 980524766 /nfs/dbraw/zinc/52/47/66/980524766.db2.gz KOBMDHPUSPBEQQ-UHFFFAOYSA-N -1 0 323.353 -0.814 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)c2n[nH]cc2F)c1[O-] ZINC001349905462 980524925 /nfs/dbraw/zinc/52/49/25/980524925.db2.gz MPAGNZZBWQZOTM-UHFFFAOYSA-N -1 0 310.289 -0.164 20 0 DBADRM CCN1C[C@@H](C)N(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H]1C ZINC001349959501 980526715 /nfs/dbraw/zinc/52/67/15/980526715.db2.gz XHVJGZXPPWPCSR-KKOKHZNYSA-N -1 0 311.382 -0.093 20 0 DBADRM C[C@@]1(C(F)F)CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCO1 ZINC001349972451 980529030 /nfs/dbraw/zinc/52/90/30/980529030.db2.gz VIXJVZIUXJYHND-UPFKWVMWSA-N -1 0 320.292 -0.152 20 0 DBADRM CC(C)=CC(=O)NCc1nc(CNCC(=O)N(C)C)cc(=O)[nH]1 ZINC001489071495 1014670330 /nfs/dbraw/zinc/67/03/30/1014670330.db2.gz YJWMFSQEKSSZKM-UHFFFAOYSA-N -1 0 321.381 -0.058 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC001350146407 980542872 /nfs/dbraw/zinc/54/28/72/980542872.db2.gz USASSBYUCLEXLO-UHFFFAOYSA-N -1 0 307.306 -0.395 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2O)n1 ZINC001350314181 980559403 /nfs/dbraw/zinc/55/94/03/980559403.db2.gz VHRCXJNKXXLWKF-RKDXNWHRSA-N -1 0 324.337 -0.329 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])CCC1=O ZINC001350314211 980559410 /nfs/dbraw/zinc/55/94/10/980559410.db2.gz VRTCCGDXVKJSFT-MRVPVSSYSA-N -1 0 320.305 -0.545 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])CCC1=O ZINC001350314212 980559683 /nfs/dbraw/zinc/55/96/83/980559683.db2.gz VRTCCGDXVKJSFT-QMMMGPOBSA-N -1 0 320.305 -0.545 20 0 DBADRM CO[C@H](CNC(=O)C(=O)NCCCC(=O)[O-])[C@H]1CCOC1 ZINC001350331591 980560755 /nfs/dbraw/zinc/56/07/55/980560755.db2.gz LJDQMEMWVUHSPN-VHSXEESVSA-N -1 0 302.327 -0.865 20 0 DBADRM CC[C@@H](OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC001595331369 980569996 /nfs/dbraw/zinc/56/99/96/980569996.db2.gz CIHWOUFAKAQLGY-MRVPVSSYSA-N -1 0 318.307 -0.738 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1cccc(CS(N)(=O)=O)c1 ZINC001350421265 980571863 /nfs/dbraw/zinc/57/18/63/980571863.db2.gz DQSFEFITGYSRLJ-GFCCVEGCSA-N -1 0 316.335 -0.097 20 0 DBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001350423689 980571935 /nfs/dbraw/zinc/57/19/35/980571935.db2.gz PISHUCSHRTYLFR-GWCFXTLKSA-N -1 0 323.393 -0.092 20 0 DBADRM CC(C)C(=O)NCc1nc(CN[C@H]2CCN(C)C2=O)cc(=O)[nH]1 ZINC001489071319 1014670854 /nfs/dbraw/zinc/67/08/54/1014670854.db2.gz VVZMSAFCWBGOJS-NSHDSACASA-N -1 0 321.381 -0.225 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NC[C@@H]1CCCN1CC(F)F ZINC001351547024 980664924 /nfs/dbraw/zinc/66/49/24/980664924.db2.gz WSGRJAPWAMJIPY-VIFPVBQESA-N -1 0 321.324 -0.187 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCc2c1cccc2F ZINC001351555127 980666099 /nfs/dbraw/zinc/66/60/99/980666099.db2.gz XUOKEYSUGXEFRQ-LLVKDONJSA-N -1 0 309.297 -0.277 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC(C(F)(F)F)CC1 ZINC001351645684 980678111 /nfs/dbraw/zinc/67/81/11/980678111.db2.gz KDPGZHSGFXEBPL-UHFFFAOYSA-N -1 0 311.260 -0.419 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]cn2)CC[C@@H]1C(=O)[O-] ZINC001351686288 980681732 /nfs/dbraw/zinc/68/17/32/980681732.db2.gz WYVXBILPEOLRDS-KOLCDFICSA-N -1 0 308.338 -0.063 20 0 DBADRM CC1(F)CN(C(=O)C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001351734298 980686091 /nfs/dbraw/zinc/68/60/91/980686091.db2.gz COXIEKLSXLSYPT-SECBINFHSA-N -1 0 323.328 -0.553 20 0 DBADRM NS(=O)(=O)Cc1cccc(C(=O)NCCOCC(=O)[O-])c1 ZINC001351729076 980686374 /nfs/dbraw/zinc/68/63/74/980686374.db2.gz MCVNDVULWLLDNQ-UHFFFAOYSA-N -1 0 316.335 -0.694 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N(C)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001351760666 980687868 /nfs/dbraw/zinc/68/78/68/980687868.db2.gz GAEPDERYAAXIQA-JGVFFNPUSA-N -1 0 309.326 -0.483 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001352608966 980734704 /nfs/dbraw/zinc/73/47/04/980734704.db2.gz NTXHZKKOLLHQCL-RNFRBKRXSA-N -1 0 324.263 -0.493 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001352608967 980735350 /nfs/dbraw/zinc/73/53/50/980735350.db2.gz NTXHZKKOLLHQCL-RQJHMYQMSA-N -1 0 324.263 -0.493 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1C[C@]2(C)COC[C@]2(C)C1 ZINC001352641335 980736111 /nfs/dbraw/zinc/73/61/11/980736111.db2.gz GFDUFJWKXFRYOZ-BETUJISGSA-N -1 0 310.358 -0.396 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)NC[C@H](C)SC ZINC001352906772 980760172 /nfs/dbraw/zinc/76/01/72/980760172.db2.gz BVLDYFXUIUOOJB-VIFPVBQESA-N -1 0 306.384 -0.196 20 0 DBADRM CS[C@H]1C[C@H](NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC001353156133 980784721 /nfs/dbraw/zinc/78/47/21/980784721.db2.gz PUCGTMWTAGBABC-KYZUINATSA-N -1 0 301.368 -0.181 20 0 DBADRM COCCOCCN1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001353915237 980826429 /nfs/dbraw/zinc/82/64/29/980826429.db2.gz IAROMVKZNABAAM-CHWSQXEVSA-N -1 0 314.382 -0.096 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)/C=C(\C)CN1CCOCC1 ZINC001354038274 980829847 /nfs/dbraw/zinc/82/98/47/980829847.db2.gz CIQALMRLGIBZMQ-FMIVXFBMSA-N -1 0 300.355 -0.176 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCCCc1ccccc1 ZINC001354385076 980848292 /nfs/dbraw/zinc/84/82/92/980848292.db2.gz PEOPFTFPLMXSNT-UHFFFAOYSA-N -1 0 307.350 -0.081 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC001354969894 980881086 /nfs/dbraw/zinc/88/10/86/980881086.db2.gz UEIXAWOGPHZWNL-ZETCQYMHSA-N -1 0 311.260 -0.419 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC[C@@H]1CCC(F)(F)C1 ZINC001354970325 980880944 /nfs/dbraw/zinc/88/09/44/980880944.db2.gz VDBXVJHYSNRGAI-QMMMGPOBSA-N -1 0 307.297 -0.278 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC001354967751 980881129 /nfs/dbraw/zinc/88/11/29/980881129.db2.gz LLUOCAAKDWNMSH-NSHDSACASA-N -1 0 323.324 -0.065 20 0 DBADRM CC/C(C)=C\C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001355772786 980910752 /nfs/dbraw/zinc/91/07/52/980910752.db2.gz BUVZGXOSZNZCSK-FPLPWBNLSA-N -1 0 309.326 -0.173 20 0 DBADRM CN(CCNC(=O)[C@@]1(C)C=CCC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001355828235 980912487 /nfs/dbraw/zinc/91/24/87/980912487.db2.gz ZHJQBZQIPOXPLF-AWEZNQCLSA-N -1 0 321.337 -0.173 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCSC[C@H](C)C1 ZINC001355929768 980917126 /nfs/dbraw/zinc/91/71/26/980917126.db2.gz QUJWIOOXEWDOJO-SECBINFHSA-N -1 0 300.388 -0.070 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@H](C2CCOCC2)C1 ZINC001355929639 980917188 /nfs/dbraw/zinc/91/71/88/980917188.db2.gz PDDKSUOOZSEFHB-LBPRGKRZSA-N -1 0 324.385 -0.006 20 0 DBADRM CO[N-]C(=O)CNC(=O)C1CCN(Cc2nccn2C)CC1 ZINC001356114405 980926690 /nfs/dbraw/zinc/92/66/90/980926690.db2.gz UUHZPFBDFQPZPP-UHFFFAOYSA-N -1 0 309.370 -0.574 20 0 DBADRM C=C/C(C)=C/CC(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001356780633 980983542 /nfs/dbraw/zinc/98/35/42/980983542.db2.gz FVYFIGKTVYMHLC-RUDMXATFSA-N -1 0 321.337 -0.461 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)[C@@H]2CCNC2=O)c1[O-] ZINC001357017851 981025271 /nfs/dbraw/zinc/02/52/71/981025271.db2.gz CVDLICDUXKQCIN-IONNQARKSA-N -1 0 323.353 -0.958 20 0 DBADRM CCCCNC(=O)CN1CCN(C(=O)c2c[n-]ncc2=O)CC1 ZINC001358454068 981128932 /nfs/dbraw/zinc/12/89/32/981128932.db2.gz YWGYFHFMLJCMPV-UHFFFAOYSA-N -1 0 321.381 -0.144 20 0 DBADRM C[C@@H](CNC(=O)c1ncccc1O)NC(=O)[C@@H]1CCN(C)C1=O ZINC001358535481 981137072 /nfs/dbraw/zinc/13/70/72/981137072.db2.gz TXDQDMPCEHRFSU-UWVGGRQHSA-N -1 0 320.349 -0.500 20 0 DBADRM C/C=C(/C)C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001358596197 981147739 /nfs/dbraw/zinc/14/77/39/981147739.db2.gz CJBPCERRIICGNE-PTDYZRSTSA-N -1 0 309.326 -0.627 20 0 DBADRM CCS(=O)(=O)CCNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001361339610 981212955 /nfs/dbraw/zinc/21/29/55/981212955.db2.gz SICVYIQVEHETMK-UHFFFAOYSA-N -1 0 317.411 -0.074 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H](C)CS(C)(=O)=O)cc1=O ZINC001361489237 981242624 /nfs/dbraw/zinc/24/26/24/981242624.db2.gz LXSHDFSBJIMKAA-JTQLQIEISA-N -1 0 317.411 -0.076 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001489250150 1014716901 /nfs/dbraw/zinc/71/69/01/1014716901.db2.gz WBHZMKOXSKNWLO-ZJUUUORDSA-N -1 0 320.357 -0.729 20 0 DBADRM O=C(N1CCCc2c(=O)[nH]cnc21)[C@@]1(F)CCS(=O)(=O)C1 ZINC001361599443 981268735 /nfs/dbraw/zinc/26/87/35/981268735.db2.gz PRGWPKKBOCLUSD-GFCCVEGCSA-N -1 0 315.326 -0.012 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCO[C@@H]2COCC[C@@H]21 ZINC001361656362 981289126 /nfs/dbraw/zinc/28/91/26/981289126.db2.gz HAIYHZULGFJOFS-WDEREUQCSA-N -1 0 319.321 -0.913 20 0 DBADRM NC(=O)C12CCC(CC1)N2C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001361662938 981291676 /nfs/dbraw/zinc/29/16/76/981291676.db2.gz QPGIWXQHBVSFDL-UHFFFAOYSA-N -1 0 316.321 -0.920 20 0 DBADRM CCOC(=O)N1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001361693107 981298950 /nfs/dbraw/zinc/29/89/50/981298950.db2.gz YLADVKUSPVLUPF-UHFFFAOYSA-N -1 0 311.298 -0.413 20 0 DBADRM CCCNC(=O)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001361714167 981303099 /nfs/dbraw/zinc/30/30/99/981303099.db2.gz AHPOQKCZJMICON-UHFFFAOYSA-N -1 0 319.321 -0.478 20 0 DBADRM CC(C)NC(=O)CN(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001361728209 981307459 /nfs/dbraw/zinc/30/74/59/981307459.db2.gz QEQSXYWMAGVSBI-UHFFFAOYSA-N -1 0 317.353 -0.329 20 0 DBADRM CC(C)OC(=O)C(C)(C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001361724382 981307480 /nfs/dbraw/zinc/30/74/80/981307480.db2.gz OEQCBCUDTQGSRI-UHFFFAOYSA-N -1 0 321.337 -0.082 20 0 DBADRM CC(C)N(CC(N)=O)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001361746517 981311026 /nfs/dbraw/zinc/31/10/26/981311026.db2.gz IQZLJEHKOUHAFX-UHFFFAOYSA-N -1 0 303.326 -0.589 20 0 DBADRM C[C@]1(NC(=O)c2c[n-]n3c2nccc3=O)CCS(=O)(=O)C1 ZINC001361759200 981314494 /nfs/dbraw/zinc/31/44/94/981314494.db2.gz SNRJVALNFJDADP-LBPRGKRZSA-N -1 0 310.335 -0.670 20 0 DBADRM Cc1ccn(C[C@@H](C)C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)n1 ZINC001361782590 981321674 /nfs/dbraw/zinc/32/16/74/981321674.db2.gz IJYYDSRQPNLXBP-MWLCHTKSSA-N -1 0 305.342 -0.059 20 0 DBADRM COCCn1ncc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1C ZINC001361785018 981323667 /nfs/dbraw/zinc/32/36/67/981323667.db2.gz QMXDPCFTBAYSPQ-NSHDSACASA-N -1 0 321.341 -0.435 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001361794129 981326430 /nfs/dbraw/zinc/32/64/30/981326430.db2.gz AMGVJWWFUARWCO-RXMQYKEDSA-N -1 0 315.127 -0.108 20 0 DBADRM Cn1cccc(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])c1=O ZINC001361793404 981326470 /nfs/dbraw/zinc/32/64/70/981326470.db2.gz IWMOHDJXSCXJDN-UHFFFAOYSA-N -1 0 323.330 -0.009 20 0 DBADRM COC(=O)c1[nH]cnc1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001361821346 981334271 /nfs/dbraw/zinc/33/42/71/981334271.db2.gz DLIZSITVDHDDPB-SFYZADRCSA-N -1 0 310.310 -0.052 20 0 DBADRM Cn1cc(CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])cn1 ZINC001361855288 981341879 /nfs/dbraw/zinc/34/18/79/981341879.db2.gz NZGYUPJCDRHYGE-UHFFFAOYSA-N -1 0 310.335 -0.297 20 0 DBADRM COCCN(CCOC)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001361855032 981342303 /nfs/dbraw/zinc/34/23/03/981342303.db2.gz LVFDQMMRXZWRNT-UHFFFAOYSA-N -1 0 302.331 -0.409 20 0 DBADRM COC(=O)[C@@H]1CC12CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC001361873989 981345974 /nfs/dbraw/zinc/34/59/74/981345974.db2.gz XNOGRYJUMABQMO-ZETCQYMHSA-N -1 0 308.294 -0.302 20 0 DBADRM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001361870864 981346111 /nfs/dbraw/zinc/34/61/11/981346111.db2.gz NYJGJWSESSYVGN-DTWKUNHWSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(C)NC(=O)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001361869835 981346755 /nfs/dbraw/zinc/34/67/55/981346755.db2.gz OTYPVCKZLQGXOU-UHFFFAOYSA-N -1 0 319.321 -0.479 20 0 DBADRM CC[C@H](C)NC(=O)[C@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001361881331 981349268 /nfs/dbraw/zinc/34/92/68/981349268.db2.gz UIYUEZMKBNYMIW-IUCAKERBSA-N -1 0 313.358 -0.111 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001361889486 981349895 /nfs/dbraw/zinc/34/98/95/981349895.db2.gz KNJUGIDTVDCFLF-SSDOTTSWSA-N -1 0 315.355 -0.051 20 0 DBADRM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001361901196 981354722 /nfs/dbraw/zinc/35/47/22/981354722.db2.gz HQTUTRFXGRJWRY-YUMQZZPRSA-N -1 0 318.355 -0.839 20 0 DBADRM CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1nnn[n-]1 ZINC001361906534 981355189 /nfs/dbraw/zinc/35/51/89/981355189.db2.gz PSKLQJVKLWAOBJ-QMMMGPOBSA-N -1 0 312.330 -0.202 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001361927952 981364057 /nfs/dbraw/zinc/36/40/57/981364057.db2.gz PGYXJQWWAZSHPJ-UHFFFAOYSA-N -1 0 305.294 -0.635 20 0 DBADRM CNC(=O)c1ccc(OC)c(NC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001361942765 981367396 /nfs/dbraw/zinc/36/73/96/981367396.db2.gz SWWWMFGCQLXMAT-UHFFFAOYSA-N -1 0 321.293 -0.304 20 0 DBADRM C[NH+](C)CCN(Cc1ccccn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001361944976 981367926 /nfs/dbraw/zinc/36/79/26/981367926.db2.gz IEIXVGADQFZNMH-UHFFFAOYSA-N -1 0 318.337 -0.118 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc(=O)cc[nH]2)s1 ZINC001361962519 981374226 /nfs/dbraw/zinc/37/42/26/981374226.db2.gz JGEQKEDIEZJIHV-UHFFFAOYSA-N -1 0 315.336 -0.150 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCN1C(=O)Cc2ccccc21 ZINC001361978804 981378044 /nfs/dbraw/zinc/37/80/44/981378044.db2.gz IHEOYDJEPZYOKU-UHFFFAOYSA-N -1 0 317.305 -0.605 20 0 DBADRM O=C(Nc1nn[nH]n1)c1cn(CCO)nc1C1CCOCC1 ZINC001362005841 981383856 /nfs/dbraw/zinc/38/38/56/981383856.db2.gz LQPZNPVYAIQDBU-UHFFFAOYSA-N -1 0 307.314 -0.465 20 0 DBADRM O=C(c1nc[n-]c(=O)c1Br)N1CCNC(=O)C1 ZINC001362002849 981384672 /nfs/dbraw/zinc/38/46/72/981384672.db2.gz MHHBPAADBRQCIV-UHFFFAOYSA-N -1 0 301.100 -0.483 20 0 DBADRM COc1cccc2c1OC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001362034721 981393547 /nfs/dbraw/zinc/39/35/47/981393547.db2.gz CPZGCEKSSYYMST-VIFPVBQESA-N -1 0 320.305 -0.182 20 0 DBADRM Cc1c(Br)cnn1CC(=O)NCc1nnn[n-]1 ZINC001362041432 981395767 /nfs/dbraw/zinc/39/57/67/981395767.db2.gz MWEJRVBFLDPHQZ-UHFFFAOYSA-N -1 0 300.120 -0.216 20 0 DBADRM O=C(c1cccnc1OCCO)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362058508 981403493 /nfs/dbraw/zinc/40/34/93/981403493.db2.gz BZKOHCNVIQZYBV-SNVBAGLBSA-N -1 0 320.309 -0.821 20 0 DBADRM CN(C)c1cccnc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362066963 981408317 /nfs/dbraw/zinc/40/83/17/981408317.db2.gz YGZVYNGKBXCZON-SNVBAGLBSA-N -1 0 303.326 -0.126 20 0 DBADRM C[C@@]1(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)CCC(=O)N1 ZINC001362080614 981412408 /nfs/dbraw/zinc/41/24/08/981412408.db2.gz ULPJBFZJCGQPSB-VIFPVBQESA-N -1 0 319.368 -0.483 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)C1 ZINC001362091039 981415437 /nfs/dbraw/zinc/41/54/37/981415437.db2.gz QBAGHAROGVZURK-IVZWLZJFSA-N -1 0 309.326 -0.311 20 0 DBADRM CC(=O)N1CCC(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CC1 ZINC001362089431 981415741 /nfs/dbraw/zinc/41/57/41/981415741.db2.gz LFHJEIQAWRHRJE-LLVKDONJSA-N -1 0 308.342 -0.642 20 0 DBADRM O=C(c1cc2n(n1)CCCC2=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362093824 981416703 /nfs/dbraw/zinc/41/67/03/981416703.db2.gz ZZRVHTISAYOTSZ-LLVKDONJSA-N -1 0 317.309 -0.414 20 0 DBADRM CCOC(=O)N[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001362101029 981421225 /nfs/dbraw/zinc/42/12/25/981421225.db2.gz ULRUGMATUXQQLN-QMMMGPOBSA-N -1 0 313.314 -0.574 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@H](O)C1CCOCC1 ZINC001362103189 981421762 /nfs/dbraw/zinc/42/17/62/981421762.db2.gz HEEAIYJPQJSGLA-JTQLQIEISA-N -1 0 314.342 -0.627 20 0 DBADRM Cn1cc([C@@H]2C[C@H]2C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cn1 ZINC001362121021 981427340 /nfs/dbraw/zinc/42/73/40/981427340.db2.gz CNTIWFRSLYBGHW-HBNTYKKESA-N -1 0 303.326 -0.363 20 0 DBADRM CCCN1C[C@@H](C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CC1=O ZINC001362124754 981429181 /nfs/dbraw/zinc/42/91/81/981429181.db2.gz OGILPEFBBWFPET-VHSXEESVSA-N -1 0 308.342 -0.642 20 0 DBADRM CCCN1C[C@H](C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CC1=O ZINC001362124749 981429329 /nfs/dbraw/zinc/42/93/29/981429329.db2.gz OGILPEFBBWFPET-NXEZZACHSA-N -1 0 308.342 -0.642 20 0 DBADRM COc1ccccc1[C@H](O)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362128109 981430547 /nfs/dbraw/zinc/43/05/47/981430547.db2.gz YADLTPLDPPSESR-NEPJUHHUSA-N -1 0 319.321 -0.158 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)CCCc3nnn[n-]3)C2=O)cn1 ZINC001362127520 981431044 /nfs/dbraw/zinc/43/10/44/981431044.db2.gz HGHYOCJSNXAZRZ-JTQLQIEISA-N -1 0 318.341 -0.822 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC(N2CCNC2=O)CC1 ZINC001362129594 981432170 /nfs/dbraw/zinc/43/21/70/981432170.db2.gz QJIDTBNUBLENAP-UHFFFAOYSA-N -1 0 307.358 -0.461 20 0 DBADRM CCc1nncn1CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362130315 981432635 /nfs/dbraw/zinc/43/26/35/981432635.db2.gz OVZIBCRYRBUTMV-UHFFFAOYSA-N -1 0 309.330 -0.560 20 0 DBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)CCc1nnn[n-]1 ZINC001362130961 981432800 /nfs/dbraw/zinc/43/28/00/981432800.db2.gz SITDQAAGOOZICH-SECBINFHSA-N -1 0 305.385 -0.922 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC001362132879 981434713 /nfs/dbraw/zinc/43/47/13/981434713.db2.gz HRVPEKXRCTWZAC-SSDOTTSWSA-N -1 0 323.275 -0.310 20 0 DBADRM CCCNC(=O)C1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001362138679 981436016 /nfs/dbraw/zinc/43/60/16/981436016.db2.gz XXZDBMRBYPJSSV-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](CO)Cc1ccccc1 ZINC001362141818 981437079 /nfs/dbraw/zinc/43/70/79/981437079.db2.gz RULVEAHPDGZNQK-LLVKDONJSA-N -1 0 306.322 -0.343 20 0 DBADRM CNC(=O)[C@@H]1CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001362150248 981440381 /nfs/dbraw/zinc/44/03/81/981440381.db2.gz YCHOEXQUIQJDSD-SECBINFHSA-N -1 0 311.342 -0.546 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NCCC(N)=O)cc2=O)n1 ZINC001362190221 981454506 /nfs/dbraw/zinc/45/45/06/981454506.db2.gz ZHOJMKVIEZDBAX-UHFFFAOYSA-N -1 0 304.310 -0.822 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362194160 981456493 /nfs/dbraw/zinc/45/64/93/981456493.db2.gz BZIOWFVCJWXYFP-RKDXNWHRSA-N -1 0 300.315 -0.922 20 0 DBADRM COc1ccnc(N2CCN(C(=O)c3c[n-]ncc3=O)CC2)n1 ZINC001362199875 981457889 /nfs/dbraw/zinc/45/78/89/981457889.db2.gz VMUBLRHWOFMSQE-UHFFFAOYSA-N -1 0 316.321 -0.057 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001362208712 981461394 /nfs/dbraw/zinc/46/13/94/981461394.db2.gz WZNFCQPWKYOEJO-LLVKDONJSA-N -1 0 322.369 -0.628 20 0 DBADRM Cn1ncc(Br)c1CC(=O)NCc1n[nH]c(=O)[n-]1 ZINC001362218092 981465280 /nfs/dbraw/zinc/46/52/80/981465280.db2.gz MEAPZVRJQYONKU-UHFFFAOYSA-N -1 0 315.131 -0.135 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])CC1=O ZINC001596403226 1017140363 /nfs/dbraw/zinc/14/03/63/1017140363.db2.gz WXZIZWWODKDLGG-RKDXNWHRSA-N -1 0 322.408 -0.561 20 0 DBADRM COC(=O)C1(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CCC1 ZINC001362247318 981480018 /nfs/dbraw/zinc/48/00/18/981480018.db2.gz BOVQMOLRPUKVCC-UHFFFAOYSA-N -1 0 316.321 -0.100 20 0 DBADRM CC(=O)c1cn(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)nn1 ZINC001362269573 981490726 /nfs/dbraw/zinc/49/07/26/981490726.db2.gz NHUHFBMVRKQOCR-VIFPVBQESA-N -1 0 304.314 -0.600 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362289326 981498905 /nfs/dbraw/zinc/49/89/05/981498905.db2.gz AZPIBJKKEDPPDV-SSDOTTSWSA-N -1 0 305.294 -0.870 20 0 DBADRM O=C(N[C@H](CO)[C@H]1CCOC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001362288844 981499215 /nfs/dbraw/zinc/49/92/15/981499215.db2.gz QWCTUPGADADJPF-OIBJUYFYSA-N -1 0 320.305 -0.437 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362289266 981499646 /nfs/dbraw/zinc/49/96/46/981499646.db2.gz ALDHQNDJCFSSOE-UHFFFAOYSA-N -1 0 306.344 -0.981 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H](c1cncn1C)N(C)C)c1nnn[n-]1 ZINC001362303029 981505691 /nfs/dbraw/zinc/50/56/91/981505691.db2.gz VCVKICNECDPNPH-ONGXEEELSA-N -1 0 306.374 -0.202 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H](c1cncn1C)N(C)C)c1nnn[n-]1 ZINC001362303004 981506401 /nfs/dbraw/zinc/50/64/01/981506401.db2.gz VCVKICNECDPNPH-GXSJLCMTSA-N -1 0 306.374 -0.202 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)nn1 ZINC001362306982 981508023 /nfs/dbraw/zinc/50/80/23/981508023.db2.gz AOLPLLQKMRKQOB-ZJUUUORDSA-N -1 0 320.357 -0.418 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCSC[C@H]1CO ZINC001362315263 981510965 /nfs/dbraw/zinc/51/09/65/981510965.db2.gz WNUIDAOWLLVQLX-MRVPVSSYSA-N -1 0 302.356 -0.594 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1nc(=O)o[n-]1 ZINC001362317439 981512760 /nfs/dbraw/zinc/51/27/60/981512760.db2.gz FRKFDDBJCSPZTD-GMSGAONNSA-N -1 0 312.326 -0.965 20 0 DBADRM CC1(C)C[C@@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C(=O)O1 ZINC001362324979 981515079 /nfs/dbraw/zinc/51/50/79/981515079.db2.gz DNKPLUDVRYANKJ-SNVBAGLBSA-N -1 0 316.321 -0.101 20 0 DBADRM C[C@H](O)C[C@H]1COCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362325483 981515501 /nfs/dbraw/zinc/51/55/01/981515501.db2.gz MQOMZJSPKIJYSM-UWVGGRQHSA-N -1 0 314.342 -0.532 20 0 DBADRM Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)CCc2nnn[n-]2)cn1 ZINC001362335914 981519335 /nfs/dbraw/zinc/51/93/35/981519335.db2.gz PLJXRFBJAAAQHZ-MLMJSJRWSA-N -1 0 323.382 -0.802 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnc(C2CC2)o1 ZINC001362345372 981522538 /nfs/dbraw/zinc/52/25/38/981522538.db2.gz GIYGTYZDQCNYTL-UHFFFAOYSA-N -1 0 301.324 -0.252 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc2[nH]ccc2n1 ZINC001362350078 981525107 /nfs/dbraw/zinc/52/51/07/981525107.db2.gz RPYQYZOZUCOOOZ-UHFFFAOYSA-N -1 0 310.335 -0.241 20 0 DBADRM COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)CCCc1nnn[n-]1 ZINC001362358230 981529708 /nfs/dbraw/zinc/52/97/08/981529708.db2.gz UJXUIUFIHNDWPV-NXEZZACHSA-N -1 0 311.342 -0.299 20 0 DBADRM NC(=O)COc1cccc(CNC(=O)c2c[n-]ncc2=O)c1 ZINC001362356160 981529797 /nfs/dbraw/zinc/52/97/97/981529797.db2.gz YKIUZUMVNWUAPA-UHFFFAOYSA-N -1 0 302.290 -0.024 20 0 DBADRM O=C(C1CCS(=O)(=O)CC1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362359890 981530421 /nfs/dbraw/zinc/53/04/21/981530421.db2.gz VLHOBGVBWZZMOE-JTQLQIEISA-N -1 0 313.383 -0.270 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)c(=O)n1 ZINC001362361252 981530619 /nfs/dbraw/zinc/53/06/19/981530619.db2.gz XNLPAPDLYWSZGU-NSHDSACASA-N -1 0 317.353 -0.221 20 0 DBADRM O=C([C@@H]1CCc2nncn2C1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362365107 981532152 /nfs/dbraw/zinc/53/21/52/981532152.db2.gz FUWFUZMHDKJUBA-RKDXNWHRSA-N -1 0 320.382 -0.330 20 0 DBADRM O=C([C@@H]1CCc2nncn2C1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362365104 981532552 /nfs/dbraw/zinc/53/25/52/981532552.db2.gz FUWFUZMHDKJUBA-BDAKNGLRSA-N -1 0 320.382 -0.330 20 0 DBADRM COc1ccc([C@H](CO)N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001362380982 981540156 /nfs/dbraw/zinc/54/01/56/981540156.db2.gz MZPIIAYCPWNZCP-NSHDSACASA-N -1 0 322.321 -0.110 20 0 DBADRM O=C([C@@H]1CCc2c[nH]nc2C1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362391385 981543615 /nfs/dbraw/zinc/54/36/15/981543615.db2.gz VVONFSHBYWVBDX-SECBINFHSA-N -1 0 317.353 -0.462 20 0 DBADRM CON1CCC(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CC1 ZINC001362389725 981543723 /nfs/dbraw/zinc/54/37/23/981543723.db2.gz RPXPOFFIEUYJNL-UHFFFAOYSA-N -1 0 310.358 -0.717 20 0 DBADRM CO[C@@H](C(=O)N1CCC(O)(c2nnn[n-]2)CC1)[C@H]1CCOC1 ZINC001362388949 981543776 /nfs/dbraw/zinc/54/37/76/981543776.db2.gz OURNRYAUAQAQHY-VHSXEESVSA-N -1 0 311.342 -0.939 20 0 DBADRM COCC[C@H](CO)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362391465 981544017 /nfs/dbraw/zinc/54/40/17/981544017.db2.gz WBNRHPJMSHPOKR-SNVBAGLBSA-N -1 0 322.321 -0.607 20 0 DBADRM O=C(c1nnc(C2CC2)o1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362391019 981544331 /nfs/dbraw/zinc/54/43/31/981544331.db2.gz UQBMCMRONXAVJZ-UHFFFAOYSA-N -1 0 305.298 -0.416 20 0 DBADRM CCOC(=O)c1cn(CCNC(=O)CCCc2nnn[n-]2)cn1 ZINC001362404899 981552549 /nfs/dbraw/zinc/55/25/49/981552549.db2.gz RPPLEJHSVGAWTL-UHFFFAOYSA-N -1 0 321.341 -0.288 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccsc1 ZINC001362406278 981552819 /nfs/dbraw/zinc/55/28/19/981552819.db2.gz BHQXFVCFWXVLBN-LURJTMIESA-N -1 0 310.291 -0.012 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CCCc1nnn[n-]1)C(=O)OC ZINC001362426247 981563348 /nfs/dbraw/zinc/56/33/48/981563348.db2.gz QHXAOYLHTGYUJT-MRVPVSSYSA-N -1 0 313.314 -0.867 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001362427079 981564532 /nfs/dbraw/zinc/56/45/32/981564532.db2.gz RONQGDZEXNYFME-GMSGAONNSA-N -1 0 311.342 -0.818 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362434517 981568147 /nfs/dbraw/zinc/56/81/47/981568147.db2.gz HUFDQCSLPPGCHK-ONGXEEELSA-N -1 0 324.385 -0.440 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1cnn(CC(F)(F)F)c1 ZINC001362435975 981569568 /nfs/dbraw/zinc/56/95/68/981569568.db2.gz BIRKWDARFNFCMJ-UHFFFAOYSA-N -1 0 320.231 -0.236 20 0 DBADRM O=C([C@@H]1CCc2n[nH]cc2C1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362438709 981571784 /nfs/dbraw/zinc/57/17/84/981571784.db2.gz UZDJOMCZDSIGGB-SECBINFHSA-N -1 0 317.353 -0.462 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@H](C)CC(N)=O)cc2=O)n1 ZINC001362456701 981580450 /nfs/dbraw/zinc/58/04/50/981580450.db2.gz WXDVDTQHRKOKJU-SECBINFHSA-N -1 0 318.337 -0.434 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@]1(C)CCCS1(=O)=O)c1nnn[n-]1 ZINC001362457780 981580694 /nfs/dbraw/zinc/58/06/94/981580694.db2.gz WZURMHUSUDIFKA-KWQFWETISA-N -1 0 301.372 -0.271 20 0 DBADRM CC1(C)C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCO1 ZINC001362471500 981588305 /nfs/dbraw/zinc/58/83/05/981588305.db2.gz YTXDIXHBWADVIB-SECBINFHSA-N -1 0 306.384 -0.226 20 0 DBADRM CNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1nnn[n-]1 ZINC001362479379 981591926 /nfs/dbraw/zinc/59/19/26/981591926.db2.gz COCRBFRLHAPKBP-LLVKDONJSA-N -1 0 302.338 -0.394 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001362482663 981595105 /nfs/dbraw/zinc/59/51/05/981595105.db2.gz PZPZDRLRNPYJGN-UWVGGRQHSA-N -1 0 320.328 -0.674 20 0 DBADRM COC(=O)[C@@H](CC(F)F)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362490037 981597489 /nfs/dbraw/zinc/59/74/89/981597489.db2.gz OVSKQXXPCXYCGO-ZCFIWIBFSA-N -1 0 322.268 -0.218 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001362491826 981598423 /nfs/dbraw/zinc/59/84/23/981598423.db2.gz YXXRMLYVEVQYJP-SSDOTTSWSA-N -1 0 320.396 -0.362 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@@](O)(C(F)F)C1 ZINC001362492136 981598596 /nfs/dbraw/zinc/59/85/96/981598596.db2.gz TWOYPPNGDYQYJJ-LBPRGKRZSA-N -1 0 313.264 -0.700 20 0 DBADRM CO[C@]1(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CCOC1 ZINC001362496214 981600098 /nfs/dbraw/zinc/60/00/98/981600098.db2.gz FZXNYCLRVLFMKP-LBPRGKRZSA-N -1 0 300.315 -0.609 20 0 DBADRM CN1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001362509925 981610303 /nfs/dbraw/zinc/61/03/03/981610303.db2.gz WUCBXQJIMZYHPA-BXUZGUMPSA-N -1 0 318.337 -0.239 20 0 DBADRM NC(=O)N1CCC[C@@H](CNC(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001362514264 981612177 /nfs/dbraw/zinc/61/21/77/981612177.db2.gz DEYGZEWEEPYSFW-ZETCQYMHSA-N -1 0 314.371 -0.491 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001362525701 981624663 /nfs/dbraw/zinc/62/46/63/981624663.db2.gz GDKLVISYZIXZEE-JTQLQIEISA-N -1 0 324.259 -0.005 20 0 DBADRM Cn1nccc1C1=CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001362527161 981625659 /nfs/dbraw/zinc/62/56/59/981625659.db2.gz KRSPEOOEHHPGSJ-UHFFFAOYSA-N -1 0 304.310 -0.261 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)[N-]N2CCCC2=O)oc1Cl ZINC001362531389 981635313 /nfs/dbraw/zinc/63/53/13/981635313.db2.gz QFQYQIQKLMXOGR-UHFFFAOYSA-N -1 0 307.715 -0.152 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCO[C@@]2(CCOC2)C1 ZINC001362535531 981639791 /nfs/dbraw/zinc/63/97/91/981639791.db2.gz NZBCRHUUMYNNHW-AWEZNQCLSA-N -1 0 304.306 -0.346 20 0 DBADRM CC(C)(CS(C)(=O)=O)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362540474 981647503 /nfs/dbraw/zinc/64/75/03/981647503.db2.gz GPTAQHFEYBYZDU-UHFFFAOYSA-N -1 0 320.371 -0.591 20 0 DBADRM O=C([C@@H]1CCc2cncn2C1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362558215 981678130 /nfs/dbraw/zinc/67/81/30/981678130.db2.gz BTYPWFNHQUGLKN-SNVBAGLBSA-N -1 0 317.353 -0.531 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001489321278 1014756131 /nfs/dbraw/zinc/75/61/31/1014756131.db2.gz DLVLEFQTYQMCTA-RGGXIFFLSA-N -1 0 308.338 -0.309 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCOC[C@@H]2CC(N)=O)cc1=O ZINC001362571554 981701468 /nfs/dbraw/zinc/70/14/68/981701468.db2.gz QSLLMKWYAAOTIT-LBPRGKRZSA-N -1 0 324.381 -0.522 20 0 DBADRM CCN1CCC[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1=O ZINC001596418520 1017141683 /nfs/dbraw/zinc/14/16/83/1017141683.db2.gz OLEGAAIOZWKKGK-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCCc2c1cnn2CCO ZINC001362601911 981742519 /nfs/dbraw/zinc/74/25/19/981742519.db2.gz PDXHMXQRWRUVIJ-VIFPVBQESA-N -1 0 322.325 -0.928 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCn2c(nnc2C(F)F)C1 ZINC001362602759 981747807 /nfs/dbraw/zinc/74/78/07/981747807.db2.gz VWWXGYDIBQOTAH-UHFFFAOYSA-N -1 0 313.224 -0.532 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1)c1nnn[n-]1 ZINC001362617630 981765106 /nfs/dbraw/zinc/76/51/06/981765106.db2.gz PPJVJCLVNJQUHJ-HTQZYQBOSA-N -1 0 306.330 -0.679 20 0 DBADRM C[C@H](CN(C)C(=O)C1CC2(C1)CS(=O)(=O)C2)c1nnn[n-]1 ZINC001362618078 981765184 /nfs/dbraw/zinc/76/51/84/981765184.db2.gz QAXNBWKQNWPGDP-MRVPVSSYSA-N -1 0 313.383 -0.414 20 0 DBADRM CNC(=O)N[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001362623365 981766965 /nfs/dbraw/zinc/76/69/65/981766965.db2.gz ZFHPGRSDSCJSJP-MRVPVSSYSA-N -1 0 304.310 -0.834 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCc1ccc(=O)[nH]c1 ZINC001362636933 981784353 /nfs/dbraw/zinc/78/43/53/981784353.db2.gz HYQTZPSCVHGOFC-UHFFFAOYSA-N -1 0 307.310 -0.071 20 0 DBADRM Cc1ccn(C[C@H](C)C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC001362642036 981787208 /nfs/dbraw/zinc/78/72/08/981787208.db2.gz DYYDLYOWJNBXOB-VIFPVBQESA-N -1 0 316.383 -0.590 20 0 DBADRM Cc1c(Cl)c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nn1C ZINC001362641502 981788324 /nfs/dbraw/zinc/78/83/24/981788324.db2.gz CTXXQWXPZOOHHI-UHFFFAOYSA-N -1 0 322.774 -0.422 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC001362645343 981790471 /nfs/dbraw/zinc/79/04/71/981790471.db2.gz RNUIQVNVQZYUKN-UJURSFKZSA-N -1 0 308.216 -0.189 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001362648864 981797013 /nfs/dbraw/zinc/79/70/13/981797013.db2.gz WHZCULRZJYRVKJ-SNVBAGLBSA-N -1 0 311.363 -0.622 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@H](Cn2ccnn2)C1 ZINC001362659170 981803566 /nfs/dbraw/zinc/80/35/66/981803566.db2.gz ZBRQXJCGLIVDGJ-JTQLQIEISA-N -1 0 321.341 -0.390 20 0 DBADRM CON1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1 ZINC001362657132 981804080 /nfs/dbraw/zinc/80/40/80/981804080.db2.gz BBKKCMSDYUORSC-UHFFFAOYSA-N -1 0 303.326 -0.606 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)nc1 ZINC001362661246 981804834 /nfs/dbraw/zinc/80/48/34/981804834.db2.gz FRRFHBUQVDSPSE-SECBINFHSA-N -1 0 301.310 -0.287 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)nc1 ZINC001362661253 981805469 /nfs/dbraw/zinc/80/54/69/981805469.db2.gz FRRFHBUQVDSPSE-VIFPVBQESA-N -1 0 301.310 -0.287 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC001362670294 981809708 /nfs/dbraw/zinc/80/97/08/981809708.db2.gz PMOORJGGBRVRLO-VIFPVBQESA-N -1 0 309.326 -0.840 20 0 DBADRM CCn1nc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)ccc1=O ZINC001362674979 981811567 /nfs/dbraw/zinc/81/15/67/981811567.db2.gz UISORYFJFCAUDL-VIFPVBQESA-N -1 0 321.366 -0.293 20 0 DBADRM CCn1nc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)ccc1=O ZINC001362674978 981811904 /nfs/dbraw/zinc/81/19/04/981811904.db2.gz UISORYFJFCAUDL-SECBINFHSA-N -1 0 321.366 -0.293 20 0 DBADRM Cn1ccnc1COCC(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362676011 981813683 /nfs/dbraw/zinc/81/36/83/981813683.db2.gz XLSIZYLPRBLIRR-SECBINFHSA-N -1 0 323.382 -0.234 20 0 DBADRM O=C(NC1CCN([C@@H]2CCOC2=O)CC1)c1c[n-]ncc1=O ZINC001362681560 981815150 /nfs/dbraw/zinc/81/51/50/981815150.db2.gz HXUAPEQMGNZWQW-LLVKDONJSA-N -1 0 306.322 -0.308 20 0 DBADRM O=C([C@H]1CCC2N=NC(=O)N2C1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362685982 981817810 /nfs/dbraw/zinc/81/78/10/981817810.db2.gz JAHUTOWDDFHEFN-BDAKNGLRSA-N -1 0 318.341 -0.535 20 0 DBADRM O=C(c1cnc2n1CCOC2)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362687396 981817829 /nfs/dbraw/zinc/81/78/29/981817829.db2.gz LPJALEKQARRTCV-SECBINFHSA-N -1 0 303.326 -0.054 20 0 DBADRM O=C([C@@H](O)c1ccccn1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362689597 981819685 /nfs/dbraw/zinc/81/96/85/981819685.db2.gz YUZLIZLTMHBEDX-UWVGGRQHSA-N -1 0 306.351 -0.055 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cn1 ZINC001362689430 981820347 /nfs/dbraw/zinc/82/03/47/981820347.db2.gz QQPJWWDLVGOEKJ-QMMMGPOBSA-N -1 0 317.309 -0.204 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCc1nc(C(F)(F)F)n[nH]1 ZINC001362689336 981820481 /nfs/dbraw/zinc/82/04/81/981820481.db2.gz PZSAQKJMXJQODQ-UHFFFAOYSA-N -1 0 304.236 -0.024 20 0 DBADRM CN(C)[C@@H](C(=O)N1CCC[C@H](c2nnn[n-]2)C1)c1cncn1C ZINC001362690660 981821448 /nfs/dbraw/zinc/82/14/48/981821448.db2.gz VINKXKZTKSKVNH-CMPLNLGQSA-N -1 0 318.385 -0.058 20 0 DBADRM C[C@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC(=O)N1 ZINC001362694134 981823413 /nfs/dbraw/zinc/82/34/13/981823413.db2.gz FYDGKDNPRHFHMT-LURJTMIESA-N -1 0 303.278 -0.604 20 0 DBADRM CON1CCC(N(C)C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001362694897 981825380 /nfs/dbraw/zinc/82/53/80/981825380.db2.gz MLCSYQZWBHHPRN-UHFFFAOYSA-N -1 0 313.358 -0.046 20 0 DBADRM C[C@H](C[S@](C)=O)N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362701825 981830420 /nfs/dbraw/zinc/83/04/20/981830420.db2.gz ONSXNUDBPNGGNA-SQFXPLBJSA-N -1 0 304.372 -0.305 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N(CCCO)Cc1ccccn1 ZINC001362714506 981840440 /nfs/dbraw/zinc/84/04/40/981840440.db2.gz BLTONGCYYYAOMM-UHFFFAOYSA-N -1 0 307.310 -0.505 20 0 DBADRM CN(C(=O)C1(CC(=O)N2CCOCC2)CCCC1)c1nnn[n-]1 ZINC001362721347 981846305 /nfs/dbraw/zinc/84/63/05/981846305.db2.gz UIZQGMFRJHXIJA-UHFFFAOYSA-N -1 0 322.369 -0.028 20 0 DBADRM C[S@](=O)C1(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001362727108 981851040 /nfs/dbraw/zinc/85/10/40/981851040.db2.gz ITJPZEYYOXBUSL-NRFANRHFSA-N -1 0 309.351 -0.902 20 0 DBADRM O=C([C@H]1CCCn2ncnc21)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362729444 981852602 /nfs/dbraw/zinc/85/26/02/981852602.db2.gz ZEKHNJJXLOTEGR-VIFPVBQESA-N -1 0 318.341 -0.821 20 0 DBADRM C[C@@H](CC(=O)N1CCC(O)(c2nnn[n-]2)CC1)n1ccnc1 ZINC001362733233 981854762 /nfs/dbraw/zinc/85/47/62/981854762.db2.gz VYVBNXLWQZZDGY-JTQLQIEISA-N -1 0 305.342 -0.143 20 0 DBADRM Cn1nc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cc1Cl ZINC001362731393 981855646 /nfs/dbraw/zinc/85/56/46/981855646.db2.gz MQQQPHBXSDPKIL-UHFFFAOYSA-N -1 0 311.733 -0.290 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC(CN2CCOCC2)C1 ZINC001362746945 981863160 /nfs/dbraw/zinc/86/31/60/981863160.db2.gz JTHDCLHRESGSLY-UHFFFAOYSA-N -1 0 317.349 -0.573 20 0 DBADRM O=C([C@H]1CCc2c[nH]nc2C1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001362760466 981871303 /nfs/dbraw/zinc/87/13/03/981871303.db2.gz MIOYJWCSSJKGOS-KWQFWETISA-N -1 0 303.326 -0.372 20 0 DBADRM O=C([C@@H](O)Cc1ccccc1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001362760415 981871718 /nfs/dbraw/zinc/87/17/18/981871718.db2.gz KPPCIGWOBMTKCS-RYUDHWBXSA-N -1 0 303.322 -0.297 20 0 DBADRM O=C(CCOC1CCOCC1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001362763305 981873909 /nfs/dbraw/zinc/87/39/09/981873909.db2.gz YLMPZGCGBCJNEY-NSHDSACASA-N -1 0 311.342 -0.315 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H](CC(N)=O)c1ccccc1 ZINC001362775723 981880433 /nfs/dbraw/zinc/88/04/33/981880433.db2.gz OURGWJULCJSDFC-JTQLQIEISA-N -1 0 319.321 -0.236 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](n1cncn1)C(F)(F)F ZINC001362784563 981884134 /nfs/dbraw/zinc/88/41/34/981884134.db2.gz YAJWYPWAJIFBFU-YFKPBYRVSA-N -1 0 321.219 -0.799 20 0 DBADRM O=C([C@@H]1CCCN1c1ncccn1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001362804039 981898427 /nfs/dbraw/zinc/89/84/27/981898427.db2.gz BBAMETPQUZJOPA-QWRGUYRKSA-N -1 0 314.353 -0.025 20 0 DBADRM O=C([C@@H]1CCCN1c1ncccn1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001362804037 981898523 /nfs/dbraw/zinc/89/85/23/981898523.db2.gz BBAMETPQUZJOPA-MNOVXSKESA-N -1 0 314.353 -0.025 20 0 DBADRM COC(=O)N1CCC(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)CC1 ZINC001362804107 981898889 /nfs/dbraw/zinc/89/88/89/981898889.db2.gz BXEOPRBABSTGMC-SNVBAGLBSA-N -1 0 308.342 -0.006 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)N3CC[C@@H](c4nnn[n-]4)C3)nc2C1 ZINC001362806185 981901499 /nfs/dbraw/zinc/90/14/99/981901499.db2.gz KBJCINUPWAVSJI-ZJUUUORDSA-N -1 0 317.353 -0.013 20 0 DBADRM O=C(CCNC(=O)c1ccco1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001362819936 981915054 /nfs/dbraw/zinc/91/50/54/981915054.db2.gz GIDYFHYTJBOIGF-SECBINFHSA-N -1 0 304.310 -0.071 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CC[C@H](c3nnn[n-]3)C2)cc1 ZINC001362822329 981916837 /nfs/dbraw/zinc/91/68/37/981916837.db2.gz MPBOOKDCYOANRY-NSHDSACASA-N -1 0 300.322 -0.143 20 0 DBADRM O=C(Cc1ccccc1)NCC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001362824711 981918196 /nfs/dbraw/zinc/91/81/96/981918196.db2.gz XCJAAOJIMLTFOW-GFCCVEGCSA-N -1 0 314.349 -0.126 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N(Cc2nnn[n-]2)CC(C)C)O1 ZINC001362831031 981924033 /nfs/dbraw/zinc/92/40/33/981924033.db2.gz NLQGXUBINWIFTG-ZJUUUORDSA-N -1 0 311.342 -0.095 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001362833648 981925657 /nfs/dbraw/zinc/92/56/57/981925657.db2.gz XSUZKJXWLFEOKG-GHMZBOCLSA-N -1 0 320.357 -0.215 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)c2ccccc21 ZINC001362837816 981929880 /nfs/dbraw/zinc/92/98/80/981929880.db2.gz RLQGAWFSSIMDOK-SECBINFHSA-N -1 0 318.289 -0.007 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC001362839834 981931828 /nfs/dbraw/zinc/93/18/28/981931828.db2.gz JOLPTKUEBWTFMA-VGMNWLOBSA-N -1 0 312.288 -0.499 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CCO1 ZINC001362849258 981941424 /nfs/dbraw/zinc/94/14/24/981941424.db2.gz ZIUNPIBIELBMFC-GZMMTYOYSA-N -1 0 304.310 -0.517 20 0 DBADRM CCC(CC)(NC(=O)[C@H](C)NS(=O)(=O)CC)c1nnn[n-]1 ZINC001362854751 981946545 /nfs/dbraw/zinc/94/65/45/981946545.db2.gz JSONCIVVCXLLNZ-QMMMGPOBSA-N -1 0 318.403 -0.341 20 0 DBADRM Cn1nccc1[C@H]1C[C@H](NC(=O)CCc2nnn[n-]2)CCO1 ZINC001362855132 981948149 /nfs/dbraw/zinc/94/81/49/981948149.db2.gz SQHGCEJSMOGFCQ-MWLCHTKSSA-N -1 0 305.342 -0.098 20 0 DBADRM Cn1nccc1[C@H]1C[C@@H](NC(=O)CCc2nnn[n-]2)CCO1 ZINC001362855125 981948388 /nfs/dbraw/zinc/94/83/88/981948388.db2.gz SQHGCEJSMOGFCQ-GXSJLCMTSA-N -1 0 305.342 -0.098 20 0 DBADRM O=C(CCCc1nnn[n-]1)NC[C@@H](CO)Cc1cccnc1 ZINC001362859386 981952862 /nfs/dbraw/zinc/95/28/62/981952862.db2.gz URYWBPXEINAIQD-LBPRGKRZSA-N -1 0 304.354 -0.115 20 0 DBADRM CC(=O)C1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001362866707 981959820 /nfs/dbraw/zinc/95/98/20/981959820.db2.gz QGHGCZVHOMDNOF-UHFFFAOYSA-N -1 0 303.322 -0.101 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCC1(O)CCOCC1 ZINC001362879565 981967448 /nfs/dbraw/zinc/96/74/48/981967448.db2.gz VHUYPSKNZVEOBK-UHFFFAOYSA-N -1 0 314.342 -0.483 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CCc2nncn2CC1)c1nnn[n-]1 ZINC001362899286 981980334 /nfs/dbraw/zinc/98/03/34/981980334.db2.gz LYQWNZSLDLWEOK-BDAKNGLRSA-N -1 0 306.330 -0.752 20 0 DBADRM C[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC[S@@]1=O ZINC001362898117 981981415 /nfs/dbraw/zinc/98/14/15/981981415.db2.gz GROTWKVVAARANH-FPVGNUTFSA-N -1 0 316.383 -0.161 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@]1(CO)CCc2ccccc21 ZINC001362897891 981981533 /nfs/dbraw/zinc/98/15/33/981981533.db2.gz IAFKOJSOHVDALX-OAHLLOKOSA-N -1 0 318.333 -0.318 20 0 DBADRM Cn1ncc2c1CN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])C2 ZINC001362900524 981982356 /nfs/dbraw/zinc/98/23/56/981982356.db2.gz IBUIAEGMKFRANS-UHFFFAOYSA-N -1 0 322.346 -0.071 20 0 DBADRM O=C([C@H]1CCNC(=O)CC1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001362901544 981983326 /nfs/dbraw/zinc/98/33/26/981983326.db2.gz BYTVLWSRBIYRAM-WDEREUQCSA-N -1 0 306.370 -0.103 20 0 DBADRM O=C([C@@H]1CCNC(=O)CC1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001362901541 981983852 /nfs/dbraw/zinc/98/38/52/981983852.db2.gz BYTVLWSRBIYRAM-QWRGUYRKSA-N -1 0 306.370 -0.103 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)c1nnn[n-]1 ZINC001362904324 981987229 /nfs/dbraw/zinc/98/72/29/981987229.db2.gz AVCJUXMGPYOAPI-PSASIEDQSA-N -1 0 310.358 -0.302 20 0 DBADRM CCOC(=O)c1ccc(C(=O)N[C@@H](COC)c2nnn[n-]2)nc1 ZINC001362912256 981997088 /nfs/dbraw/zinc/99/70/88/981997088.db2.gz WGLAASVFITZOMV-JTQLQIEISA-N -1 0 320.309 -0.111 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001362914069 981999257 /nfs/dbraw/zinc/99/92/57/981999257.db2.gz OTTFZXCFGYETSA-UHFFFAOYSA-N -1 0 318.355 -0.885 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCC(F)(F)[C@H](CO)C1 ZINC001362927280 982007748 /nfs/dbraw/zinc/00/77/48/982007748.db2.gz XOEMELPOTXOCSR-LURJTMIESA-N -1 0 319.264 -0.014 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCn2c(CC3CC3)nnc2C1 ZINC001362926735 982007818 /nfs/dbraw/zinc/00/78/18/982007818.db2.gz WTSKIVIKMPQOFP-UHFFFAOYSA-N -1 0 302.342 -0.281 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001362936615 982014318 /nfs/dbraw/zinc/01/43/18/982014318.db2.gz KLVGELLSIGJGHE-IONNQARKSA-N -1 0 315.326 -0.120 20 0 DBADRM COC(=O)N(C)CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362965212 982035248 /nfs/dbraw/zinc/03/52/48/982035248.db2.gz ALERHAGXWLUUKJ-UHFFFAOYSA-N -1 0 319.325 -0.497 20 0 DBADRM CN1CCC[C@@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C1=O ZINC001362970063 982035756 /nfs/dbraw/zinc/03/57/56/982035756.db2.gz PWGIFJBZUBJBBQ-LLVKDONJSA-N -1 0 315.337 -0.575 20 0 DBADRM Cn1cc(C[C@H]2CCC[C@H]2NC(=O)Cn2c(=O)[n-][nH]c2=O)cn1 ZINC001362976845 982041677 /nfs/dbraw/zinc/04/16/77/982041677.db2.gz JOMCVTCPBPNVLG-GHMZBOCLSA-N -1 0 320.353 -0.050 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)CCc3nnn[n-]3)[C@@H]2C1 ZINC001362982576 982045321 /nfs/dbraw/zinc/04/53/21/982045321.db2.gz RJZMVTLYPHABQX-TUAOUCFPSA-N -1 0 306.370 -0.105 20 0 DBADRM Cc1nc2cc[n-]n2c(=O)c1CC(=O)N[C@@H]1CC12CC(O)C2 ZINC001362983560 982045876 /nfs/dbraw/zinc/04/58/76/982045876.db2.gz TWLBHPCUTLHTMT-QMJNDHNRSA-N -1 0 302.334 -0.097 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362999235 982057847 /nfs/dbraw/zinc/05/78/47/982057847.db2.gz BMPCRKLBVYJCCW-ZETCQYMHSA-N -1 0 316.339 -0.678 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](n1cccn1)C(F)(F)F ZINC001363018057 982073472 /nfs/dbraw/zinc/07/34/72/982073472.db2.gz GWAIHNJKTOMBDZ-ZCFIWIBFSA-N -1 0 320.231 -0.194 20 0 DBADRM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@H]1CCCCS1(=O)=O ZINC001363035201 982089112 /nfs/dbraw/zinc/08/91/12/982089112.db2.gz AEXJFIMLPAHAAL-SSDOTTSWSA-N -1 0 301.324 -0.529 20 0 DBADRM O=C(N[C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1c[n-]ncc1=O ZINC001363043611 982092786 /nfs/dbraw/zinc/09/27/86/982092786.db2.gz KYJQZOPHFFIHAB-QMMMGPOBSA-N -1 0 302.294 -0.314 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]([C@H]1CCOC1)C(F)(F)F ZINC001363040835 982093097 /nfs/dbraw/zinc/09/30/97/982093097.db2.gz KOOSSTVOMXXURV-FSPLSTOPSA-N -1 0 310.232 -0.227 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@H]1C1OCCO1 ZINC001363043431 982094593 /nfs/dbraw/zinc/09/45/93/982094593.db2.gz ZQRJFPJDPWZASS-VIFPVBQESA-N -1 0 312.326 -0.167 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC2CC(CCO)C2)c1 ZINC001363051192 982102087 /nfs/dbraw/zinc/10/20/87/982102087.db2.gz LHJKPKFFOKIDNV-UHFFFAOYSA-N -1 0 314.363 -0.070 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@]1(CCO)CCOC1 ZINC001363064337 982112610 /nfs/dbraw/zinc/11/26/10/982112610.db2.gz JEAOLUXLBXJULM-LBPRGKRZSA-N -1 0 300.315 -0.873 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)c1c[n-]ncc1=O)C2 ZINC001363066328 982113412 /nfs/dbraw/zinc/11/34/12/982113412.db2.gz ISTMPACNIRESFR-UHFFFAOYSA-N -1 0 304.310 -0.381 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1n[nH]cc1C(N)=O ZINC001363068628 982115682 /nfs/dbraw/zinc/11/56/82/982115682.db2.gz NAJFVRSFFFMPOR-UHFFFAOYSA-N -1 0 307.232 -0.096 20 0 DBADRM C[C@@H]1CN(C(=O)CCc2nnn[n-]2)CCN1c1cnccn1 ZINC001363073974 982117790 /nfs/dbraw/zinc/11/77/90/982117790.db2.gz ACMYCEMJLUXMMZ-SNVBAGLBSA-N -1 0 302.342 -0.340 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1c[n-]ncc1=O ZINC001363073350 982118172 /nfs/dbraw/zinc/11/81/72/982118172.db2.gz DAXUMBWVJARCGR-HTQZYQBOSA-N -1 0 310.310 -0.632 20 0 DBADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363077835 982120226 /nfs/dbraw/zinc/12/02/26/982120226.db2.gz QFBQYLYMLLCBMD-FQJNGZCASA-N -1 0 316.383 -0.163 20 0 DBADRM C[C@@H]1[C@H](CO)CCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001363076397 982120290 /nfs/dbraw/zinc/12/02/90/982120290.db2.gz YNEWYBQZNXLQPI-BDAKNGLRSA-N -1 0 314.363 -0.118 20 0 DBADRM O=C(c1nc[n-]c(=O)c1Br)N1CCOCCN1 ZINC001363077000 982120418 /nfs/dbraw/zinc/12/04/18/982120418.db2.gz UUXBNWYUYIEYQE-UHFFFAOYSA-N -1 0 303.116 -0.078 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC001363089532 982127701 /nfs/dbraw/zinc/12/77/01/982127701.db2.gz DKRLCKMZNCKCAP-SECBINFHSA-N -1 0 317.305 -0.213 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCCc1nc(=O)o[n-]1 ZINC001363094519 982133161 /nfs/dbraw/zinc/13/31/61/982133161.db2.gz XVVRLOAYEJYOMU-CBAPKCEASA-N -1 0 300.315 -0.208 20 0 DBADRM CSCC[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1nnn[n-]1 ZINC001363098357 982134952 /nfs/dbraw/zinc/13/49/52/982134952.db2.gz FXFHIZYGRHHWRH-IUCAKERBSA-N -1 0 312.399 -0.022 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC001363098425 982136045 /nfs/dbraw/zinc/13/60/45/982136045.db2.gz MXOFUHWLMIAKOX-MKPLZMMCSA-N -1 0 303.322 -0.557 20 0 DBADRM Cc1c(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)nnn1C(C)C ZINC001363112808 982147772 /nfs/dbraw/zinc/14/77/72/982147772.db2.gz SHMGNXOXQIUJDM-UHFFFAOYSA-N -1 0 313.343 -0.059 20 0 DBADRM COCC1(O)CN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC001363117955 982149954 /nfs/dbraw/zinc/14/99/54/982149954.db2.gz DZULHZYDDJITHU-UHFFFAOYSA-N -1 0 305.290 -0.137 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1 ZINC001363115743 982150024 /nfs/dbraw/zinc/15/00/24/982150024.db2.gz DYKTYGGIHSWQCQ-NSHDSACASA-N -1 0 316.321 -0.559 20 0 DBADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1C[C@H](CO)[C@H](O)C1 ZINC001363119659 982152535 /nfs/dbraw/zinc/15/25/35/982152535.db2.gz OJUAYEPVIFAGCE-GHMZBOCLSA-N -1 0 305.290 -0.545 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCc2cc(Cl)nnc2C1 ZINC001363131025 982156812 /nfs/dbraw/zinc/15/68/12/982156812.db2.gz YXMIAVMNNVEIAG-UHFFFAOYSA-N -1 0 310.701 -0.282 20 0 DBADRM CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001363137316 982160717 /nfs/dbraw/zinc/16/07/17/982160717.db2.gz ATVHKUXUFJQKQE-RQJHMYQMSA-N -1 0 314.273 -0.354 20 0 DBADRM CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001363137238 982162721 /nfs/dbraw/zinc/16/27/21/982162721.db2.gz ATVHKUXUFJQKQE-BQBZGAKWSA-N -1 0 314.273 -0.354 20 0 DBADRM COCc1ncc2c(n1)CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001363139863 982166955 /nfs/dbraw/zinc/16/69/55/982166955.db2.gz RZIHIDLFZYLVQF-UHFFFAOYSA-N -1 0 318.293 -0.582 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001363141344 982168021 /nfs/dbraw/zinc/16/80/21/982168021.db2.gz SUFRINVUQHUUAL-ZETCQYMHSA-N -1 0 321.268 -0.048 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc(S(C)(=O)=O)nc1 ZINC001363139488 982168089 /nfs/dbraw/zinc/16/80/89/982168089.db2.gz GSCJWCDPECGCNR-UHFFFAOYSA-N -1 0 312.307 -0.566 20 0 DBADRM O=C(N[C@@H]1COC(=O)C1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001363147358 982178909 /nfs/dbraw/zinc/17/89/09/982178909.db2.gz SCTOOSMAQAHDNR-QMMMGPOBSA-N -1 0 304.262 -0.689 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001363156082 982185394 /nfs/dbraw/zinc/18/53/94/982185394.db2.gz RAUYKGWVSWYRAT-BBBLOLIVSA-N -1 0 313.358 -0.697 20 0 DBADRM C[C@H](O)[C@H](O)CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC001363164735 982189750 /nfs/dbraw/zinc/18/97/50/982189750.db2.gz JIAXEDGTIUVCQI-WRWORJQWSA-N -1 0 320.342 -0.331 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1cncc(N2CCCC2)n1 ZINC001363162932 982190456 /nfs/dbraw/zinc/19/04/56/982190456.db2.gz PIKZGPUJYIBURM-UHFFFAOYSA-N -1 0 302.294 -0.277 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC001363169676 982195298 /nfs/dbraw/zinc/19/52/98/982195298.db2.gz RGKJUXBSSQXCGM-SNVBAGLBSA-N -1 0 317.305 -0.225 20 0 DBADRM CNC(=O)NC[C@@H]1CCCCN1C(=O)CCCc1nnn[n-]1 ZINC001363173695 982197863 /nfs/dbraw/zinc/19/78/63/982197863.db2.gz LGVZNADHEVZDIW-JTQLQIEISA-N -1 0 309.374 -0.168 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC001363184966 982206880 /nfs/dbraw/zinc/20/68/80/982206880.db2.gz RPWTWUPRPJXONT-VHSXEESVSA-N -1 0 323.353 -0.261 20 0 DBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001363193589 982213516 /nfs/dbraw/zinc/21/35/16/982213516.db2.gz AVRGJPURECSFIM-VIFPVBQESA-N -1 0 309.374 -0.011 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@H]2c2nnn[n-]2)C1 ZINC001363204160 982221486 /nfs/dbraw/zinc/22/14/86/982221486.db2.gz OPZRCUZUURGNQS-BBBLOLIVSA-N -1 0 308.342 -0.609 20 0 DBADRM O=C(CNC(=O)c1ccsc1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363204482 982222105 /nfs/dbraw/zinc/22/21/05/982222105.db2.gz OXNFAMZJQFADQY-SECBINFHSA-N -1 0 322.350 -0.409 20 0 DBADRM CN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H]1CO ZINC001363227947 982239354 /nfs/dbraw/zinc/23/93/54/982239354.db2.gz CLHQXROXURYUKX-VIFPVBQESA-N -1 0 319.321 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNCc2cnsn2)c1[O-] ZINC001496966305 1017142681 /nfs/dbraw/zinc/14/26/81/1017142681.db2.gz TVQYGLIRIPVZND-QMMMGPOBSA-N -1 0 312.355 -0.844 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001363232202 982244373 /nfs/dbraw/zinc/24/43/73/982244373.db2.gz VMUBMVGWOJCEFZ-RQJHMYQMSA-N -1 0 314.323 -0.926 20 0 DBADRM CO[C@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@](C)(CO)C1 ZINC001363240192 982251928 /nfs/dbraw/zinc/25/19/28/982251928.db2.gz USYQYWYDKYQHJW-RNCFNFMXSA-N -1 0 314.342 -0.532 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCC(CO)(CO)CC1)C(=O)[O-] ZINC001594891251 982289346 /nfs/dbraw/zinc/28/93/46/982289346.db2.gz LEYDPUZZPAYTMT-AAEUAGOBSA-N -1 0 316.398 -0.331 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O ZINC001363276373 982300275 /nfs/dbraw/zinc/30/02/75/982300275.db2.gz LOVGLBZTFGQEKV-CABZTGNLSA-N -1 0 324.385 -0.540 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(CCO)C[C@@H]1C)C(=O)[O-] ZINC001594893167 982301923 /nfs/dbraw/zinc/30/19/23/982301923.db2.gz GXLHVYPOEMTPCV-OBJOEFQTSA-N -1 0 315.414 -0.400 20 0 DBADRM Cn1ccnc1[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC001363282968 982305950 /nfs/dbraw/zinc/30/59/50/982305950.db2.gz OKOFBZBBOFEXAG-HTQZYQBOSA-N -1 0 320.309 -0.334 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCCN1CCC2(C1)OCCO2 ZINC001363284091 982306822 /nfs/dbraw/zinc/30/68/22/982306822.db2.gz IYQKAAIJMMPCDS-UHFFFAOYSA-N -1 0 310.358 -0.913 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363305726 982327258 /nfs/dbraw/zinc/32/72/58/982327258.db2.gz FRDJMQRUFBUDMD-JGVFFNPUSA-N -1 0 308.371 -0.175 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N2CC[C@H](c3nnn[n-]3)C2)c1C ZINC001363313074 982332889 /nfs/dbraw/zinc/33/28/89/982332889.db2.gz QEOHGBXQPDWVPO-VIFPVBQESA-N -1 0 303.326 -0.460 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)c1C ZINC001363313062 982334298 /nfs/dbraw/zinc/33/42/98/982334298.db2.gz QEOHGBXQPDWVPO-SECBINFHSA-N -1 0 303.326 -0.460 20 0 DBADRM CNS(=O)(=O)c1ccc(CCC(=O)N(C)c2nnn[n-]2)cc1 ZINC001363321925 982339542 /nfs/dbraw/zinc/33/95/42/982339542.db2.gz LNRIKSMBKOVBCR-UHFFFAOYSA-N -1 0 324.366 -0.297 20 0 DBADRM CC[C@@H]1C(=O)NCCCN1Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001363327483 982345523 /nfs/dbraw/zinc/34/55/23/982345523.db2.gz MUJGADLZPUCCIS-SECBINFHSA-N -1 0 305.342 -0.900 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1cn(C2CCOCC2)nn1 ZINC001363348970 982356620 /nfs/dbraw/zinc/35/66/20/982356620.db2.gz WHARYKPXFCUGGW-UHFFFAOYSA-N -1 0 306.282 -0.724 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)Cc1ccc(C(N)=O)nc1 ZINC001363353783 982359792 /nfs/dbraw/zinc/35/97/92/982359792.db2.gz HIEYITDSGKYEPU-UHFFFAOYSA-N -1 0 317.353 -0.079 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001363373045 982366802 /nfs/dbraw/zinc/36/68/02/982366802.db2.gz APSSFLRRZXPOTI-MRVPVSSYSA-N -1 0 303.278 -0.188 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)C1CC2(C1)CS(=O)(=O)C2 ZINC001363376116 982369709 /nfs/dbraw/zinc/36/97/09/982369709.db2.gz MSDXCBPWZNKOIL-UHFFFAOYSA-N -1 0 311.367 -0.480 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363392957 982385150 /nfs/dbraw/zinc/38/51/50/982385150.db2.gz DUIAMERAIBACAA-WDEREUQCSA-N -1 0 304.310 -0.782 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001363396422 982386605 /nfs/dbraw/zinc/38/66/05/982386605.db2.gz YVOLAIXNXDPPDP-WDEREUQCSA-N -1 0 320.305 -0.590 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363407650 982395357 /nfs/dbraw/zinc/39/53/57/982395357.db2.gz LDYRCRLZOREDPV-AEJSXWLSSA-N -1 0 309.326 -0.311 20 0 DBADRM CC(C)CN1C[C@H](C(=O)N2CCOC[C@@H]2c2nnn[n-]2)CC1=O ZINC001363409291 982396492 /nfs/dbraw/zinc/39/64/92/982396492.db2.gz DYSXXPPMSIPXAS-GHMZBOCLSA-N -1 0 322.369 -0.396 20 0 DBADRM O=C(Cn1nnc2c1CCCC2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363409253 982396640 /nfs/dbraw/zinc/39/66/40/982396640.db2.gz BOOZRBFAQMRVPR-NSHDSACASA-N -1 0 318.341 -0.730 20 0 DBADRM COC[C@H](NC(=O)[C@@H](O)c1cccc(OC)c1)c1nnn[n-]1 ZINC001363409301 982396943 /nfs/dbraw/zinc/39/69/43/982396943.db2.gz BRIRLVWMTWGMPU-QWRGUYRKSA-N -1 0 307.310 -0.254 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](O)c1cccc(OC)c1)c1nnn[n-]1 ZINC001363409300 982397491 /nfs/dbraw/zinc/39/74/91/982397491.db2.gz BRIRLVWMTWGMPU-MNOVXSKESA-N -1 0 307.310 -0.254 20 0 DBADRM COC[C@H](NC(=O)[C@H](C)OC[C@@H]1CCCCO1)c1nnn[n-]1 ZINC001363412313 982399121 /nfs/dbraw/zinc/39/91/21/982399121.db2.gz IVFWWKIKHHDDRI-DCAQKATOSA-N -1 0 313.358 -0.022 20 0 DBADRM O=C([C@@H]1CCc2nncn2CC1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363411080 982399247 /nfs/dbraw/zinc/39/92/47/982399247.db2.gz XQFGEXVQJWNCCF-ZJUUUORDSA-N -1 0 318.341 -0.656 20 0 DBADRM COC[C@@H](NC(=O)c1cc(C(F)F)n(C)n1)c1nnn[n-]1 ZINC001363414777 982400285 /nfs/dbraw/zinc/40/02/85/982400285.db2.gz MDKCTZSJJSFHCR-ZCFIWIBFSA-N -1 0 301.257 -0.012 20 0 DBADRM COC[C@@H](NC(=O)c1ccnc(N2CCCC2)n1)c1nnn[n-]1 ZINC001363416238 982401787 /nfs/dbraw/zinc/40/17/87/982401787.db2.gz PSWDEQCAYVXGAW-SNVBAGLBSA-N -1 0 318.341 -0.293 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CCc2cnc(C)n2C1)c1nnn[n-]1 ZINC001363414831 982401883 /nfs/dbraw/zinc/40/18/83/982401883.db2.gz MMOMBBMSTNHBNN-ONGXEEELSA-N -1 0 305.342 -0.229 20 0 DBADRM Cc1cc(=O)[nH]c(N2CCN(C(=O)CCc3nnn[n-]3)CC2)n1 ZINC001363429279 982406928 /nfs/dbraw/zinc/40/69/28/982406928.db2.gz LQHLBMRVCJXNIB-UHFFFAOYSA-N -1 0 318.341 -0.715 20 0 DBADRM O=C(N1CCC[C@@H](Cc2nnn[n-]2)C1)C1(n2cnnn2)CC1 ZINC001363429665 982407051 /nfs/dbraw/zinc/40/70/51/982407051.db2.gz DSVMXEINBWHZGH-VIFPVBQESA-N -1 0 303.330 -0.843 20 0 DBADRM O=C(C[C@@H]1CCC(=O)NC1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001363437842 982413354 /nfs/dbraw/zinc/41/33/54/982413354.db2.gz XYMJFVFVKPTDMF-WDEREUQCSA-N -1 0 306.370 -0.103 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CCO1 ZINC001363443559 982415393 /nfs/dbraw/zinc/41/53/93/982415393.db2.gz OSVOBZOMTXKHOM-IUCAKERBSA-N -1 0 300.315 -0.922 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC001363451255 982425169 /nfs/dbraw/zinc/42/51/69/982425169.db2.gz MKUNXNKJDPOECE-OAHLLOKOSA-N -1 0 316.317 -0.221 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001363453763 982425708 /nfs/dbraw/zinc/42/57/08/982425708.db2.gz TWEFPBWDIVKJSM-LURJTMIESA-N -1 0 303.344 -0.889 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)C1CS(=O)(=O)C1)c1nc(=O)o[n-]1 ZINC001363458016 982430722 /nfs/dbraw/zinc/43/07/22/982430722.db2.gz JBSAEEWGKBCFGZ-ZETCQYMHSA-N -1 0 303.340 -0.389 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@H](CO)[C@H](O)C1CCCCC1 ZINC001363493232 982455946 /nfs/dbraw/zinc/45/59/46/982455946.db2.gz BZUDFOQAONXOPG-BXUZGUMPSA-N -1 0 311.386 -0.059 20 0 DBADRM O=C(C[C@H]1CCNC1=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC001363495524 982457699 /nfs/dbraw/zinc/45/76/99/982457699.db2.gz LMDNZFYMFCYQOT-ZYHUDNBSSA-N -1 0 300.322 -0.069 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCC[C@H](O)C(F)F)c1 ZINC001363501566 982464542 /nfs/dbraw/zinc/46/45/42/982464542.db2.gz AMJFBMMJUSCGIU-VIFPVBQESA-N -1 0 324.305 -0.215 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)c2c[n-]ncc2=O)CC1 ZINC001363504099 982468102 /nfs/dbraw/zinc/46/81/02/982468102.db2.gz YOGIPNWIPIFYBB-UHFFFAOYSA-N -1 0 300.340 -0.664 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363522153 982483327 /nfs/dbraw/zinc/48/33/27/982483327.db2.gz DWYKODXIFXWYMX-VIFPVBQESA-N -1 0 304.310 -0.608 20 0 DBADRM Cn1nccc1C1(O)CN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001363525709 982486582 /nfs/dbraw/zinc/48/65/82/982486582.db2.gz RBNYXIUOGBJTRA-UHFFFAOYSA-N -1 0 310.339 -0.934 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001363531580 982491191 /nfs/dbraw/zinc/49/11/91/982491191.db2.gz OYRKQEVGFSAGSG-ZDUSSCGKSA-N -1 0 307.262 -0.322 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCC[C@H]1CCCS1(=O)=O ZINC001363544493 982499859 /nfs/dbraw/zinc/49/98/59/982499859.db2.gz IZGNSUUATJVVOX-SSDOTTSWSA-N -1 0 320.396 -0.314 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC001363557132 982508354 /nfs/dbraw/zinc/50/83/54/982508354.db2.gz ZFOYBDMAHXMSOF-SECBINFHSA-N -1 0 308.216 -0.330 20 0 DBADRM O=C(c1c[n-]ncc1=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001363573132 982515609 /nfs/dbraw/zinc/51/56/09/982515609.db2.gz IDGGCVBVXFQKGY-GFCCVEGCSA-N -1 0 313.335 -0.788 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCS(=O)(=O)C[C@H]2CCO)c1[O-] ZINC001363572970 982515922 /nfs/dbraw/zinc/51/59/22/982515922.db2.gz FOZYTSWOJXWYQG-MRVPVSSYSA-N -1 0 303.340 -0.955 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363575890 982518399 /nfs/dbraw/zinc/51/83/99/982518399.db2.gz IHEZKCPZZYZQKU-VIFPVBQESA-N -1 0 308.273 -0.684 20 0 DBADRM O=C([C@@H]1CSCC(=O)N1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001363584871 982521557 /nfs/dbraw/zinc/52/15/57/982521557.db2.gz OPQMBRNPARZMSM-IUCAKERBSA-N -1 0 310.383 -0.788 20 0 DBADRM O=C(C1=CCS(=O)(=O)C1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001363586288 982523018 /nfs/dbraw/zinc/52/30/18/982523018.db2.gz UCMDEQPNLVZLKX-SECBINFHSA-N -1 0 311.367 -0.664 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CCCN(CC(F)F)C1)c1nnn[n-]1 ZINC001363586704 982523610 /nfs/dbraw/zinc/52/36/10/982523610.db2.gz KWJBWBMYNCKAMU-BDAKNGLRSA-N -1 0 318.328 -0.020 20 0 DBADRM COC[C@H](NC(=O)C1CCC(NC(C)=O)CC1)c1nnn[n-]1 ZINC001363585209 982524218 /nfs/dbraw/zinc/52/42/18/982524218.db2.gz HTLHRFCATPMQND-ILDUYXDCSA-N -1 0 310.358 -0.302 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CC=C(N)N1 ZINC001363603206 982534005 /nfs/dbraw/zinc/53/40/05/982534005.db2.gz YIZLBLPHFPMDKA-UHFFFAOYSA-N -1 0 300.315 -0.042 20 0 DBADRM CO[C@H]1CCCN(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001363610262 982537375 /nfs/dbraw/zinc/53/73/75/982537375.db2.gz OTTRXZRNQOJKRX-LBPRGKRZSA-N -1 0 317.353 -0.170 20 0 DBADRM CN(CCc1ncon1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001363614850 982538630 /nfs/dbraw/zinc/53/86/30/982538630.db2.gz AKHUHQNCXZGLTQ-UHFFFAOYSA-N -1 0 303.282 -0.845 20 0 DBADRM COc1c[nH]c(C(=O)N2CCC(c3nnn[n-]3)CC2)cc1=O ZINC001363661694 982559862 /nfs/dbraw/zinc/55/98/62/982559862.db2.gz VANOEBQHFXBSHZ-UHFFFAOYSA-N -1 0 304.310 -0.084 20 0 DBADRM CCc1nnc([C@@H]2C[C@@H](O)CN2C(=O)c2c[n-]ncc2=O)[nH]1 ZINC001363685242 982571461 /nfs/dbraw/zinc/57/14/61/982571461.db2.gz XJFOKNZKNVTIMO-APPZFPTMSA-N -1 0 304.310 -0.189 20 0 DBADRM O=C(CNC(=O)c1ncccc1O)N1CC[C@@]2(CCOC2=O)C1 ZINC001363687861 982572402 /nfs/dbraw/zinc/57/24/02/982572402.db2.gz KMNQHDDDKKLDHQ-OAHLLOKOSA-N -1 0 319.317 -0.317 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001363699579 982576183 /nfs/dbraw/zinc/57/61/83/982576183.db2.gz BBQVTPRTDUCHSH-SFYZADRCSA-N -1 0 302.356 -0.948 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363716493 982585490 /nfs/dbraw/zinc/58/54/90/982585490.db2.gz DBQUOCBNWJODCK-SECBINFHSA-N -1 0 316.387 -0.765 20 0 DBADRM COC(=O)c1c(NC(=O)c2ccc(C)nn2)n[n-]c1OCCO ZINC001363716613 982585714 /nfs/dbraw/zinc/58/57/14/982585714.db2.gz ATFCLDWOFAAKGR-UHFFFAOYSA-N -1 0 321.293 -0.082 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1[nH]nc(C)c1[O-] ZINC001531416384 1014860950 /nfs/dbraw/zinc/86/09/50/1014860950.db2.gz MFYXAOPWEJMKRF-ZNSHCXBVSA-N -1 0 322.365 -0.059 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(CN2CCNC2=O)CC1 ZINC001363742266 982600862 /nfs/dbraw/zinc/60/08/62/982600862.db2.gz KHOYXRATMURPNN-UHFFFAOYSA-N -1 0 322.325 -0.840 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOC[C@@H]1C[C@H]1CCCO1 ZINC001363778004 982626678 /nfs/dbraw/zinc/62/66/78/982626678.db2.gz GASVGJMYIJMDDL-VHSXEESVSA-N -1 0 312.326 -0.514 20 0 DBADRM Nc1nc2nc(CN3CCO[C@@H]([C@@H]4CCCO4)C3)cc(=O)n2[n-]1 ZINC001363793098 982640765 /nfs/dbraw/zinc/64/07/65/982640765.db2.gz JCPRSKCQIPUOPW-WDEREUQCSA-N -1 0 320.353 -0.620 20 0 DBADRM Cn1cnnc1[C@@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001363825958 982660123 /nfs/dbraw/zinc/66/01/23/982660123.db2.gz ZRRNYSBNCOUISH-SSDOTTSWSA-N -1 0 309.355 -0.253 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001363828933 982662212 /nfs/dbraw/zinc/66/22/12/982662212.db2.gz JNIZLUGJUHELDQ-SXMVTHIZSA-N -1 0 310.354 -0.422 20 0 DBADRM CN(C)c1nccc(C[N-]S(=O)(=O)N=S(C)(C)=O)n1 ZINC001363836046 982666842 /nfs/dbraw/zinc/66/68/42/982666842.db2.gz KFWUHSBJUDFFFY-UHFFFAOYSA-N -1 0 307.401 -0.395 20 0 DBADRM C[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)c1nn(C)cc1[O-] ZINC001363847820 982672581 /nfs/dbraw/zinc/67/25/81/982672581.db2.gz HPWNVPOZBQHCSF-ZETCQYMHSA-N -1 0 302.356 -0.806 20 0 DBADRM COC(=O)[C@](C)(Cn1cccn1)NC(=O)CCc1nnn[n-]1 ZINC001363885779 982695433 /nfs/dbraw/zinc/69/54/33/982695433.db2.gz RZCJVNSUVWGVGB-LBPRGKRZSA-N -1 0 307.314 -0.923 20 0 DBADRM COC(=O)C1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC001363920080 982720237 /nfs/dbraw/zinc/72/02/37/982720237.db2.gz JNKNCSIWDNTOPT-UHFFFAOYSA-N -1 0 313.335 -0.302 20 0 DBADRM COC(=O)C[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001363926514 982727142 /nfs/dbraw/zinc/72/71/42/982727142.db2.gz AXUHPRLIDQEKQL-ZETCQYMHSA-N -1 0 316.335 -0.279 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1C(=O)OCC1(C)C ZINC001363947973 982740942 /nfs/dbraw/zinc/74/09/42/982740942.db2.gz ZUCOGINHAJPGGA-ULCDLSAGSA-N -1 0 313.401 -0.653 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1C(=O)OCC1(C)C ZINC001363947982 982742036 /nfs/dbraw/zinc/74/20/36/982742036.db2.gz ZUCOGINHAJPGGA-VIIUKITBSA-N -1 0 313.401 -0.653 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1cncc(F)c1 ZINC001363964902 982752876 /nfs/dbraw/zinc/75/28/76/982752876.db2.gz OCAZFYLTFNOPMI-UHFFFAOYSA-N -1 0 302.269 -0.078 20 0 DBADRM C[C@H](C[N-]S(=O)(=O)N=S1(=O)CCCC1)S(C)(=O)=O ZINC001363972464 982758168 /nfs/dbraw/zinc/75/81/68/982758168.db2.gz LRASLSQECTUZHM-MRVPVSSYSA-N -1 0 318.442 -0.484 20 0 DBADRM COC(=O)C1([N-]S(=O)(=O)Cc2ccno2)CCOCC1 ZINC001363971652 982758251 /nfs/dbraw/zinc/75/82/51/982758251.db2.gz VVHYMNCJDCKEIU-UHFFFAOYSA-N -1 0 304.324 -0.184 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)c1onc(C2CC2)c1Cl)C(N)=O ZINC001363975847 982762186 /nfs/dbraw/zinc/76/21/86/982762186.db2.gz PECXUXFVEQEGSI-LURJTMIESA-N -1 0 323.758 -0.016 20 0 DBADRM COC[C@@H](NS(=O)(=O)C[C@H](OC)c1ccccc1)C(N)=O ZINC001363983329 982764956 /nfs/dbraw/zinc/76/49/56/982764956.db2.gz YWMOUWXZHKENAH-NEPJUHHUSA-N -1 0 316.379 -0.206 20 0 DBADRM CC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OC)[nH]n2)C[C@@H]1O ZINC001363984019 982766453 /nfs/dbraw/zinc/76/64/53/982766453.db2.gz SUGBHXUAUHXKHK-APPZFPTMSA-N -1 0 303.340 -0.412 20 0 DBADRM COc1nscc1S(=O)(=O)NC1(C(N)=O)CCOCC1 ZINC001364004052 982779077 /nfs/dbraw/zinc/77/90/77/982779077.db2.gz ZNJWVKWKJYURSL-UHFFFAOYSA-N -1 0 321.380 -0.536 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H]1C[C@H](OC)C1 ZINC001364004875 982779461 /nfs/dbraw/zinc/77/94/61/982779461.db2.gz DOERTKQPKDDJCA-ZKCHVHJHSA-N -1 0 303.340 -0.040 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CCn1cnnn1 ZINC001364016558 982787027 /nfs/dbraw/zinc/78/70/27/982787027.db2.gz WHFZJLLAYKCAAP-SFHVURJKSA-N -1 0 310.405 -0.596 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccno1)c1ccnn1C ZINC001364013934 982787176 /nfs/dbraw/zinc/78/71/76/982787176.db2.gz UTLMBTCJODTTHQ-JTQLQIEISA-N -1 0 314.323 -0.258 20 0 DBADRM COc1nscc1S(=O)(=O)NC1CC(CO)(CO)C1 ZINC001364025413 982792976 /nfs/dbraw/zinc/79/29/76/982792976.db2.gz QRCCOCCOMWVFIG-UHFFFAOYSA-N -1 0 308.381 -0.437 20 0 DBADRM COC[C@@H](NC(=O)c1ccn(C2CCOCC2)n1)c1nnn[n-]1 ZINC001364037956 982801619 /nfs/dbraw/zinc/80/16/19/982801619.db2.gz VGCRWWOHZZECGB-LLVKDONJSA-N -1 0 321.341 -0.135 20 0 DBADRM Cn1cnnc1[C@H](CO)NS(=O)(=O)CCOC(C)(C)C ZINC001364042813 982805027 /nfs/dbraw/zinc/80/50/27/982805027.db2.gz GGWSLNPBAQXVHL-VIFPVBQESA-N -1 0 306.388 -0.417 20 0 DBADRM COC(=O)C(F)(F)C[N-]S(=O)(=O)CCN1CCOC1=O ZINC001364055341 982811022 /nfs/dbraw/zinc/81/10/22/982811022.db2.gz RAALDLXJJIUIAS-UHFFFAOYSA-N -1 0 316.282 -0.834 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC[C@@H](O)C2CC2)on1 ZINC001364067038 982815789 /nfs/dbraw/zinc/81/57/89/982815789.db2.gz DQGLMERYHXHOIA-SECBINFHSA-N -1 0 304.324 -0.100 20 0 DBADRM O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1c([O-])cc(F)cc1F ZINC001364085582 982821904 /nfs/dbraw/zinc/82/19/04/982821904.db2.gz ROWBFCZDHUSXNV-LBPRGKRZSA-N -1 0 321.301 -0.050 20 0 DBADRM COC(=O)C(F)(F)C[N-]S(=O)(=O)N1CCCOCC1 ZINC001364119890 982833310 /nfs/dbraw/zinc/83/33/10/982833310.db2.gz CWBDQMJMTHNFHF-UHFFFAOYSA-N -1 0 302.299 -0.649 20 0 DBADRM CCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)[nH]n1)C(=O)OC ZINC001364120738 982833854 /nfs/dbraw/zinc/83/38/54/982833854.db2.gz SKQPXFYYFOSPBA-SSDOTTSWSA-N -1 0 319.339 -0.184 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H](O)Cc1ccccc1F ZINC001364121276 982834307 /nfs/dbraw/zinc/83/43/07/982834307.db2.gz BGCUSPGXIOKYPO-JTQLQIEISA-N -1 0 308.317 -0.021 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001364123803 982834517 /nfs/dbraw/zinc/83/45/17/982834517.db2.gz GWQUIYISQLISPO-RKDXNWHRSA-N -1 0 314.371 -0.987 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1 ZINC001364125280 982835458 /nfs/dbraw/zinc/83/54/58/982835458.db2.gz IFUGDEGVYLKLSQ-JTQLQIEISA-N -1 0 309.374 -0.117 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC001364125202 982835657 /nfs/dbraw/zinc/83/56/57/982835657.db2.gz IFEBNPYEEGAFHC-WDSKDSINSA-N -1 0 304.257 -0.709 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC([C@H]2COC(=O)N2)CC1 ZINC001364133879 982836916 /nfs/dbraw/zinc/83/69/16/982836916.db2.gz SUCOLUFQJIHDND-SECBINFHSA-N -1 0 309.330 -0.533 20 0 DBADRM COC(=O)c1nccc(NCc2nc3c(c(=O)[nH]2)COCC3)n1 ZINC001364234250 982865804 /nfs/dbraw/zinc/86/58/04/982865804.db2.gz JSVUAYFZSAYERI-UHFFFAOYSA-N -1 0 317.305 -0.135 20 0 DBADRM Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001364263251 982873931 /nfs/dbraw/zinc/87/39/31/982873931.db2.gz STTGYRWPYRZSNU-UHFFFAOYSA-N -1 0 303.278 -0.554 20 0 DBADRM C[C@@]1(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCNC1=O ZINC001364297728 982890407 /nfs/dbraw/zinc/89/04/07/982890407.db2.gz YZLBJMNBVNZULG-CYBMUJFWSA-N -1 0 303.278 -0.556 20 0 DBADRM O=C(NCc1nc2c(c(=O)[nH]1)COCC2)N[C@H](CO)CCF ZINC001364333660 982909636 /nfs/dbraw/zinc/90/96/36/982909636.db2.gz QSCRHRIMLURNFU-QMMMGPOBSA-N -1 0 314.317 -0.225 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001364333994 982910990 /nfs/dbraw/zinc/91/09/90/982910990.db2.gz RPZPVKTVUCZOTD-MRVPVSSYSA-N -1 0 321.337 -0.715 20 0 DBADRM CCO[C@@H]1C[C@](CO)(NC(=O)N=c2nn[n-]n2CC)C1(C)C ZINC001364369907 982943168 /nfs/dbraw/zinc/94/31/68/982943168.db2.gz QPLOXDWQYKQYCA-NOZJJQNGSA-N -1 0 312.374 -0.198 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC[C@@H]1C1OCCO1 ZINC001364366563 982943732 /nfs/dbraw/zinc/94/37/32/982943732.db2.gz IYSIOLPACYPLTD-SSDOTTSWSA-N -1 0 300.340 -0.034 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCNC(=O)[C@@H]1c1cccs1 ZINC001364370099 982945664 /nfs/dbraw/zinc/94/56/64/982945664.db2.gz SBXYFCIJQVXQEG-VIFPVBQESA-N -1 0 321.366 -0.119 20 0 DBADRM Cn1cc([C@@]2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CCCO2)cn1 ZINC001364412665 982967247 /nfs/dbraw/zinc/96/72/47/982967247.db2.gz ZMWJFAJYNUFIKL-ZDUSSCGKSA-N -1 0 322.325 -0.755 20 0 DBADRM CN1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C[C@@H]1CO ZINC001364422554 982973581 /nfs/dbraw/zinc/97/35/81/982973581.db2.gz YTRWJUUJTRHESK-GFCCVEGCSA-N -1 0 318.333 -0.222 20 0 DBADRM COC(=O)[C@@H](O)CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001364469925 983008765 /nfs/dbraw/zinc/00/87/65/983008765.db2.gz ZQSVBBHISJMCEH-LURJTMIESA-N -1 0 314.260 -0.516 20 0 DBADRM O=C([C@H]1CCCCS1(=O)=O)N1CCC(c2nnn[n-]2)CC1 ZINC001364528519 983039642 /nfs/dbraw/zinc/03/96/42/983039642.db2.gz KDJIGYWNFUHOFF-SNVBAGLBSA-N -1 0 313.383 -0.127 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2CC[C@H](c3nnn[n-]3)C2)n1 ZINC001364566287 983054312 /nfs/dbraw/zinc/05/43/12/983054312.db2.gz BGXLLDNUUNULTK-QMMMGPOBSA-N -1 0 305.298 -0.801 20 0 DBADRM O=C(c1ccc2c(n1)OCCO2)N1CC[C@H](c2nnn[n-]2)C1 ZINC001364566420 983054385 /nfs/dbraw/zinc/05/43/85/983054385.db2.gz DDGIIIAMXYQPNW-QMMMGPOBSA-N -1 0 302.294 -0.004 20 0 DBADRM COC(=O)CNC(=O)Cn1[n-]c(=O)c(Cl)c(Cl)c1=O ZINC001364613504 983070763 /nfs/dbraw/zinc/07/07/63/983070763.db2.gz GQMVEKQPKMMQSM-UHFFFAOYSA-N -1 0 310.093 -0.455 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N(Cc1nnn[n-]1)CC(C)C ZINC001364650930 983086484 /nfs/dbraw/zinc/08/64/84/983086484.db2.gz JSZNMNXHBWEHAA-UHFFFAOYSA-N -1 0 318.403 -0.534 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CC[C@@H](c2nn[nH]n2)C1 ZINC001364784921 983132534 /nfs/dbraw/zinc/13/25/34/983132534.db2.gz IZYXEIVZVDZTCS-SECBINFHSA-N -1 0 310.358 -0.553 20 0 DBADRM C[S@@](=O)CCNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC001364789751 983134849 /nfs/dbraw/zinc/13/48/49/983134849.db2.gz NBTXDCIWGRNAGO-LJQANCHMSA-N -1 0 322.339 -0.083 20 0 DBADRM CC[C@H](NS(=O)(=O)c1ncc[n-]1)C(=O)N1CCOCC1 ZINC001364793185 983138141 /nfs/dbraw/zinc/13/81/41/983138141.db2.gz QVJWRRSDXXXGPJ-VIFPVBQESA-N -1 0 302.356 -0.675 20 0 DBADRM CCC(CC)(CO)CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001364798405 983138862 /nfs/dbraw/zinc/13/88/62/983138862.db2.gz MMZPTPGRCVWTFJ-UHFFFAOYSA-N -1 0 319.383 -0.437 20 0 DBADRM COC[C@H](NS(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1)C(N)=O ZINC001364796340 983139169 /nfs/dbraw/zinc/13/91/69/983139169.db2.gz GAJZVTFTGDKDLZ-GARJFASQSA-N -1 0 306.384 -0.636 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H](C)S(C)(=O)=O ZINC001364799658 983142071 /nfs/dbraw/zinc/14/20/71/983142071.db2.gz RZIIQYMUEXPSPO-QMMMGPOBSA-N -1 0 320.458 -0.238 20 0 DBADRM COC[C@@H](NC(=O)COCc1ccc(OC)nc1)c1nnn[n-]1 ZINC001364812229 983145804 /nfs/dbraw/zinc/14/58/04/983145804.db2.gz CNQMNWZRGAMKAO-SNVBAGLBSA-N -1 0 322.325 -0.376 20 0 DBADRM COC[C@@H](NC(=O)C1=CS(=O)(=O)CCC1)c1nnn[n-]1 ZINC001364811387 983147642 /nfs/dbraw/zinc/14/76/42/983147642.db2.gz AAJPDXIINTYGRN-MRVPVSSYSA-N -1 0 301.328 -0.904 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1cc(F)ccc1OC ZINC001364811256 983147709 /nfs/dbraw/zinc/14/77/09/983147709.db2.gz XFIKPZCOWFNWNS-JTQLQIEISA-N -1 0 321.326 -0.212 20 0 DBADRM COC[C@@H](NC(=O)Cc1cnn2c1CCCC2)c1nnn[n-]1 ZINC001364812637 983149079 /nfs/dbraw/zinc/14/90/79/983149079.db2.gz FBRRLOVIPJXGSH-SNVBAGLBSA-N -1 0 305.342 -0.221 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CNC(=O)C2)oc1Cl ZINC001364814066 983149924 /nfs/dbraw/zinc/14/99/24/983149924.db2.gz JEZOELUICPJLFP-RXMQYKEDSA-N -1 0 322.726 -0.114 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)OC)C1)c1nnn[n-]1 ZINC001364813670 983149965 /nfs/dbraw/zinc/14/99/65/983149965.db2.gz JRZKORUKUPZFLX-GUBZILKMSA-N -1 0 311.342 -0.017 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ncc[n-]1 ZINC001364815464 983151541 /nfs/dbraw/zinc/15/15/41/983151541.db2.gz ZQJLWSCGRGILCB-MRVPVSSYSA-N -1 0 308.385 -0.888 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)c1 ZINC001364818828 983153925 /nfs/dbraw/zinc/15/39/25/983153925.db2.gz NDUYTGYVMGBWAY-MRVPVSSYSA-N -1 0 303.326 -0.278 20 0 DBADRM O=C([C@@H]1CCCS1(=O)=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001364819368 983154684 /nfs/dbraw/zinc/15/46/84/983154684.db2.gz PKDDLJGSZIWYMR-UWVGGRQHSA-N -1 0 313.383 -0.442 20 0 DBADRM O=C([C@H]1CCCS1(=O)=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001364819366 983154842 /nfs/dbraw/zinc/15/48/42/983154842.db2.gz PKDDLJGSZIWYMR-NXEZZACHSA-N -1 0 313.383 -0.442 20 0 DBADRM CN1N=C(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)CCC1=O ZINC001364821004 983155791 /nfs/dbraw/zinc/15/57/91/983155791.db2.gz WTRSOFZYNQQGHD-SECBINFHSA-N -1 0 305.342 -0.411 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H]1CCN(C)C1=O ZINC001364827495 983159353 /nfs/dbraw/zinc/15/93/53/983159353.db2.gz VVFLMEZEAHMIPZ-QMMMGPOBSA-N -1 0 302.308 -0.425 20 0 DBADRM COC[C@@](C)([N-]S(=O)(=O)CC1(C(=O)OC)CC1)C(=O)OC ZINC001364832239 983162527 /nfs/dbraw/zinc/16/25/27/983162527.db2.gz YUMHXUWYBLHTMY-LLVKDONJSA-N -1 0 323.367 -0.563 20 0 DBADRM NC(=O)C1(O)CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1 ZINC001364832796 983163243 /nfs/dbraw/zinc/16/32/43/983163243.db2.gz CRKWQJQQFJDWED-UHFFFAOYSA-N -1 0 318.326 -0.468 20 0 DBADRM CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC001364850924 983169542 /nfs/dbraw/zinc/16/95/42/983169542.db2.gz XZHPOKTWMUDUEE-KHQFGBGNSA-N -1 0 310.310 -0.653 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC001364857022 983171717 /nfs/dbraw/zinc/17/17/17/983171717.db2.gz RSQKASQGGAQCIL-QMMMGPOBSA-N -1 0 321.355 -0.443 20 0 DBADRM Cn1nnc(C[N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)n1 ZINC001364856490 983172760 /nfs/dbraw/zinc/17/27/60/983172760.db2.gz LUGHMEZTXRKNFI-UHFFFAOYSA-N -1 0 311.249 -0.570 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H](CCO)C(F)(F)F ZINC001364860659 983173703 /nfs/dbraw/zinc/17/37/03/983173703.db2.gz NBFCBWUXQLTLCV-ZCFIWIBFSA-N -1 0 312.248 -0.101 20 0 DBADRM NC(=O)[C@@]1(NS(=O)(=O)c2cccc(Cl)c2[O-])CCOC1 ZINC001364867165 983177050 /nfs/dbraw/zinc/17/70/50/983177050.db2.gz AYPBJXHEHIKCOL-LLVKDONJSA-N -1 0 320.754 -0.032 20 0 DBADRM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)N=S(C)(C)=O ZINC001364905033 983193240 /nfs/dbraw/zinc/19/32/40/983193240.db2.gz QGBKTHFVBFNSMC-MRVPVSSYSA-N -1 0 304.365 -0.160 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)n1 ZINC001364914857 983196494 /nfs/dbraw/zinc/19/64/94/983196494.db2.gz GJKJYQXDDDYKHI-UHFFFAOYSA-N -1 0 311.249 -0.237 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)n1 ZINC001364915509 983197142 /nfs/dbraw/zinc/19/71/42/983197142.db2.gz WMMCRUGGCWSJGB-UHFFFAOYSA-N -1 0 324.322 -0.033 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC23CC(O)C3)on1 ZINC001364943380 983207381 /nfs/dbraw/zinc/20/73/81/983207381.db2.gz OLDUOTKYEDQWSV-NUQKGASQSA-N -1 0 302.308 -0.347 20 0 DBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]c2nnn(C)n2)cc1 ZINC001364948005 983208935 /nfs/dbraw/zinc/20/89/35/983208935.db2.gz ABNJGTSNBWPIHM-UHFFFAOYSA-N -1 0 310.339 -0.488 20 0 DBADRM COC(=O)C(F)(F)C[N-]S(=O)(=O)N(C)C1CCOCC1 ZINC001364966677 983216497 /nfs/dbraw/zinc/21/64/97/983216497.db2.gz KYKDJKSIKXYXHB-UHFFFAOYSA-N -1 0 316.326 -0.260 20 0 DBADRM CCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC001364993500 983224483 /nfs/dbraw/zinc/22/44/83/983224483.db2.gz ZKIJVHKWRFPSAY-ZETCQYMHSA-N -1 0 319.339 -0.346 20 0 DBADRM C[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)NCc1ccco1 ZINC001365037605 983236782 /nfs/dbraw/zinc/23/67/82/983236782.db2.gz QYDBDNIGBRIMTI-MRVPVSSYSA-N -1 0 323.396 -0.154 20 0 DBADRM CC(F)(F)CN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001365041438 983238755 /nfs/dbraw/zinc/23/87/55/983238755.db2.gz LJVZQERYAKPMJK-UHFFFAOYSA-N -1 0 303.269 -0.304 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC001365056458 983244033 /nfs/dbraw/zinc/24/40/33/983244033.db2.gz OPCINNZUVOUGSD-VIFPVBQESA-N -1 0 307.289 -0.398 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H](C(=O)OC)[C@H]1CCOC1 ZINC001365056663 983244243 /nfs/dbraw/zinc/24/42/43/983244243.db2.gz RIIMMTOPRKPHEQ-DTWKUNHWSA-N -1 0 312.330 -0.938 20 0 DBADRM CC[C@H]1CN(C(=O)N=c2nn[n-]n2CC)C[C@@H](C)S1(=O)=O ZINC001365056234 983244484 /nfs/dbraw/zinc/24/44/84/983244484.db2.gz KETKXLBIRFVPEM-BDAKNGLRSA-N -1 0 316.387 -0.456 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCC(=O)NCc1ccccc1 ZINC001365055423 983244626 /nfs/dbraw/zinc/24/46/26/983244626.db2.gz MLULUQHZNJWDQK-UHFFFAOYSA-N -1 0 317.353 -0.057 20 0 DBADRM CN(C)C(=O)CCNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365094562 983256464 /nfs/dbraw/zinc/25/64/64/983256464.db2.gz XWLVJSWOIMBDMB-VIFPVBQESA-N -1 0 310.358 -0.122 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C1CC1 ZINC001365134006 983270556 /nfs/dbraw/zinc/27/05/56/983270556.db2.gz HXMXLKKJDVTSFH-ASCAZGACSA-N -1 0 313.401 -0.653 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC001365200611 983294701 /nfs/dbraw/zinc/29/47/01/983294701.db2.gz CBVFKMDWAQIVHW-IUCAKERBSA-N -1 0 314.371 -0.702 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1 ZINC001365201538 983295845 /nfs/dbraw/zinc/29/58/45/983295845.db2.gz PSALIWLTIFUYMX-KWBADKCTSA-N -1 0 310.358 -0.037 20 0 DBADRM O=C(NCc1ccc(CN2CCNC2=O)cc1)c1n[nH]c(=O)[n-]1 ZINC001365204001 983295909 /nfs/dbraw/zinc/29/59/09/983295909.db2.gz IEVFKQVWWRXNHE-UHFFFAOYSA-N -1 0 316.321 -0.035 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC(=O)NC[C@H]1c1ccccc1 ZINC001365202216 983296051 /nfs/dbraw/zinc/29/60/51/983296051.db2.gz SRWZKNZEPOKXER-NSHDSACASA-N -1 0 315.337 -0.180 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(N2CCCNC2=O)CC1 ZINC001365203498 983296214 /nfs/dbraw/zinc/29/62/14/983296214.db2.gz WMEMQGHVRPGHSK-UHFFFAOYSA-N -1 0 322.373 -0.474 20 0 DBADRM COC(=O)c1c(OCCO)n[nH]c1NC(=O)[C@@H]1CCCN1C ZINC001365205039 983297330 /nfs/dbraw/zinc/29/73/30/983297330.db2.gz OFZLBEDQZKVHSH-QMMMGPOBSA-N -1 0 312.326 -0.400 20 0 DBADRM O=C(Nc1cnc(N2C[C@H]3CC[C@@H](C2)O3)nc1)c1n[nH]c(=O)[n-]1 ZINC001365215275 983299303 /nfs/dbraw/zinc/29/93/03/983299303.db2.gz QFBMLMOBDQNDBR-DTORHVGOSA-N -1 0 317.309 -0.080 20 0 DBADRM Cn1c(=O)cc(N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)[nH]c1=O ZINC001365244967 983309200 /nfs/dbraw/zinc/30/92/00/983309200.db2.gz YZTHUJYVXMFFOZ-MRVPVSSYSA-N -1 0 304.310 -0.328 20 0 DBADRM CN1C[C@@H](NC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001365288604 983324243 /nfs/dbraw/zinc/32/42/43/983324243.db2.gz XURNBBDRZVMRBG-IUCAKERBSA-N -1 0 308.342 -0.370 20 0 DBADRM CN(Cc1nc(=O)n(C)[nH]1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001365300775 983327943 /nfs/dbraw/zinc/32/79/43/983327943.db2.gz TYNZAFPJDRVESY-SECBINFHSA-N -1 0 315.374 -0.574 20 0 DBADRM C[C@H](CS(C)(=O)=O)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001365372035 983351802 /nfs/dbraw/zinc/35/18/02/983351802.db2.gz HQARJBFKYYXHPX-MRVPVSSYSA-N -1 0 318.442 -0.484 20 0 DBADRM CCN(C)C(=O)CNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365379846 983356481 /nfs/dbraw/zinc/35/64/81/983356481.db2.gz MVRINGQNUBOBJZ-VIFPVBQESA-N -1 0 310.358 -0.122 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@H]1CCCCS1(=O)=O ZINC001365383578 983357744 /nfs/dbraw/zinc/35/77/44/983357744.db2.gz QKLANXIELNRSLC-MRVPVSSYSA-N -1 0 318.442 -0.484 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCC2(CCC2)O1)[C@@H](C)O ZINC001365458978 983395046 /nfs/dbraw/zinc/39/50/46/983395046.db2.gz LZUADYGQWDCDDS-MXWKQRLJSA-N -1 0 321.395 -0.070 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@]1(C)CCNC1=O ZINC001365463102 983398204 /nfs/dbraw/zinc/39/82/04/983398204.db2.gz UNNKVQLVGUATKI-XTZNXHDOSA-N -1 0 311.429 -0.004 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC001365501789 983403925 /nfs/dbraw/zinc/40/39/25/983403925.db2.gz YCNJRVDDSNXAQE-LURJTMIESA-N -1 0 321.263 -0.600 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001365503269 983404376 /nfs/dbraw/zinc/40/43/76/983404376.db2.gz SJDQNHKWJDHMTJ-ZJUUUORDSA-N -1 0 309.374 -0.117 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC001365499908 983404583 /nfs/dbraw/zinc/40/45/83/983404583.db2.gz BAZREYUFIWEGFM-SECBINFHSA-N -1 0 316.387 -0.597 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365589110 983433481 /nfs/dbraw/zinc/43/34/81/983433481.db2.gz FMGLEBGLUOHFOO-BDAKNGLRSA-N -1 0 310.358 -0.076 20 0 DBADRM O=C(NC[C@H]1CNC(=O)C1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365646285 983456457 /nfs/dbraw/zinc/45/64/57/983456457.db2.gz OYKMWOKQCZCTRD-BDAKNGLRSA-N -1 0 308.342 -0.465 20 0 DBADRM CCCn1nccc1C(=O)NCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596120780 983456504 /nfs/dbraw/zinc/45/65/04/983456504.db2.gz YQOZQLORJKXIPA-NXEZZACHSA-N -1 0 308.338 -0.140 20 0 DBADRM CCCn1nccc1NC(=O)C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001596122137 983460968 /nfs/dbraw/zinc/46/09/68/983460968.db2.gz QKSBHIIOEBIWAK-CQSZACIVSA-N -1 0 324.337 -0.018 20 0 DBADRM CCCn1nccc1NC(=O)CN1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001596122193 983461064 /nfs/dbraw/zinc/46/10/64/983461064.db2.gz UGGWRRRTVGGXMG-WDEREUQCSA-N -1 0 310.354 -0.001 20 0 DBADRM CCCn1nnnc1CN1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001596126116 983464595 /nfs/dbraw/zinc/46/45/95/983464595.db2.gz WMZPXALDKKHHSM-WDEREUQCSA-N -1 0 322.369 -0.554 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@@H](O)COc1ccccc1 ZINC001365667153 983470644 /nfs/dbraw/zinc/47/06/44/983470644.db2.gz PXNWXGKNGXRHMV-SNVBAGLBSA-N -1 0 322.408 -0.012 20 0 DBADRM Cc1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c(C)nn1 ZINC001365694631 983483433 /nfs/dbraw/zinc/48/34/33/983483433.db2.gz FHIUPOQYCJJYAV-UHFFFAOYSA-N -1 0 317.353 -0.125 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CC1(O)CCOCC1 ZINC001365701742 983487494 /nfs/dbraw/zinc/48/74/94/983487494.db2.gz YJRZOHNDRZMEGG-UHFFFAOYSA-N -1 0 319.335 -0.114 20 0 DBADRM COC[C@H](O)C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC001365702664 983487799 /nfs/dbraw/zinc/48/77/99/983487799.db2.gz ABGZGPOJFUPSSN-CQLKUDPESA-N -1 0 302.418 -0.276 20 0 DBADRM CC1(CS(=O)(=O)NCCc2nc(=O)o[n-]2)CCOCC1 ZINC001365703447 983489100 /nfs/dbraw/zinc/48/91/00/983489100.db2.gz AYRADSNQMARXDV-UHFFFAOYSA-N -1 0 305.356 -0.359 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N[C@](C)(CO)C(=O)OC)C1 ZINC001365713488 983495354 /nfs/dbraw/zinc/49/53/54/983495354.db2.gz MAQRUOFZHYKSNS-VDDIYKPWSA-N -1 0 323.367 -0.829 20 0 DBADRM CCN(C(=O)NCCC(=O)NCCC(=O)[O-])[C@H]1CCOC1 ZINC001596149174 983506806 /nfs/dbraw/zinc/50/68/06/983506806.db2.gz NSXDVDPBPXZZOC-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CCOC[C@H]1O ZINC001365734304 983508094 /nfs/dbraw/zinc/50/80/94/983508094.db2.gz WVACLOARGAJBRB-RKDXNWHRSA-N -1 0 300.402 -0.522 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)N=c2nn[n-]n2CC)CC12COC2 ZINC001365824800 983545135 /nfs/dbraw/zinc/54/51/35/983545135.db2.gz WKPFMFMXXHPRDE-VIFPVBQESA-N -1 0 324.341 -0.842 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCC[C@H](N(CCO)Cc2n[nH]c(=O)[n-]2)C1 ZINC001365883594 983577551 /nfs/dbraw/zinc/57/75/51/983577551.db2.gz SQNKPCZQZNHSOW-SRVKXCTJSA-N -1 0 323.397 -0.048 20 0 DBADRM O=C(Cc1c[nH]cn1)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366176267 983730166 /nfs/dbraw/zinc/73/01/66/983730166.db2.gz CJRGOKZZNKEPNI-SNVBAGLBSA-N -1 0 319.369 -0.196 20 0 DBADRM CN(CCNC(=O)CCc1ccn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001366533485 983850518 /nfs/dbraw/zinc/85/05/18/983850518.db2.gz CWYZMHTWPZLUFQ-UHFFFAOYSA-N -1 0 307.358 -0.575 20 0 DBADRM CCN(CCNC(=O)CCc1ncccn1)Cc1n[nH]c(=O)[n-]1 ZINC001366632615 983883987 /nfs/dbraw/zinc/88/39/87/983883987.db2.gz KUQCCVQONJOGGY-UHFFFAOYSA-N -1 0 319.369 -0.129 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1coc(C)n1 ZINC001366643148 983888120 /nfs/dbraw/zinc/88/81/20/983888120.db2.gz YTUPIFGQKDCNGC-UHFFFAOYSA-N -1 0 324.341 -0.376 20 0 DBADRM O=C(Cn1cccn1)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001366655944 983892364 /nfs/dbraw/zinc/89/23/64/983892364.db2.gz LABNCIMBNWWNCS-JTQLQIEISA-N -1 0 305.342 -0.512 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@@]1(F)CCOC1 ZINC001366670279 983898280 /nfs/dbraw/zinc/89/82/80/983898280.db2.gz SVFAJLBAKCMFJP-NOZJJQNGSA-N -1 0 313.333 -0.281 20 0 DBADRM Cc1conc1CN1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001366994047 984106079 /nfs/dbraw/zinc/10/60/79/984106079.db2.gz XCQULSYQWDACAD-UHFFFAOYSA-N -1 0 322.325 -0.766 20 0 DBADRM CC[C@@H](C)OCC(=O)N[C@@H]1CCN(Cc2nn(C)c(=O)[n-]2)C1 ZINC001367027402 984139732 /nfs/dbraw/zinc/13/97/32/984139732.db2.gz BQBSKKLUQBKEAT-GHMZBOCLSA-N -1 0 311.386 -0.386 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CN[C@H](C)c2nnnn2C)c1[O-] ZINC001367357493 984282450 /nfs/dbraw/zinc/28/24/50/984282450.db2.gz YZVNWSLURCZZPU-VXNVDRBHSA-N -1 0 322.373 -0.241 20 0 DBADRM Cc1cc(CNC[C@@H](C)N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001367365463 984285727 /nfs/dbraw/zinc/28/57/27/984285727.db2.gz RLIPTHOFJPMLFU-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM CN(CCN(C)C(=O)C[C@@H]1COC(=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001367505265 984325379 /nfs/dbraw/zinc/32/53/79/984325379.db2.gz BOWNEKZRYHGJMM-VIFPVBQESA-N -1 0 311.342 -0.646 20 0 DBADRM CN(CCN(C)C(=O)C[C@@H]1CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001367542774 984341803 /nfs/dbraw/zinc/34/18/03/984341803.db2.gz RSELYAAHFJRXCZ-VIFPVBQESA-N -1 0 310.358 -0.931 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)C[C@H]2C=CCC2)c1[O-] ZINC001533171267 1015034114 /nfs/dbraw/zinc/03/41/14/1015034114.db2.gz MUEWJQJBAAEMTP-WDEREUQCSA-N -1 0 322.365 -0.013 20 0 DBADRM CCOc1cc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001367815884 984649149 /nfs/dbraw/zinc/64/91/49/984649149.db2.gz WKZDZIOUZVEXKR-MRVPVSSYSA-N -1 0 323.357 -0.118 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CN1CCCCC1=O ZINC001367823306 984660320 /nfs/dbraw/zinc/66/03/20/984660320.db2.gz OJEKNVMHISGZCS-JTQLQIEISA-N -1 0 324.385 -0.541 20 0 DBADRM C[C@H](CN(C)Cc1cncn1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001367826394 984666508 /nfs/dbraw/zinc/66/65/08/984666508.db2.gz WXXLWQDQHZBPSS-MRVPVSSYSA-N -1 0 321.341 -0.733 20 0 DBADRM C[C@@H](CN(C)Cc1cncn1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001367826398 984672479 /nfs/dbraw/zinc/67/24/79/984672479.db2.gz WXXLWQDQHZBPSS-QMMMGPOBSA-N -1 0 321.341 -0.733 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@H]1CCCC(=O)N1 ZINC001367830427 984680406 /nfs/dbraw/zinc/68/04/06/984680406.db2.gz UPBXHZMPKKLPPK-VHSXEESVSA-N -1 0 324.385 -0.494 20 0 DBADRM Cc1cc(CN(C)C[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)on1 ZINC001367854238 984717716 /nfs/dbraw/zinc/71/77/16/984717716.db2.gz TYWUMBDXBDTPHK-SECBINFHSA-N -1 0 324.341 -0.378 20 0 DBADRM O=C(CCn1cccn1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001367939579 984809122 /nfs/dbraw/zinc/80/91/22/984809122.db2.gz PPCRXYGIESMDHC-SNVBAGLBSA-N -1 0 305.342 -0.512 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(CCNC(=O)C3CC3)C2)c1[O-] ZINC001368070368 984858496 /nfs/dbraw/zinc/85/84/96/984858496.db2.gz UGULOLLIXZJYPX-UHFFFAOYSA-N -1 0 321.381 -0.294 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368162720 984892461 /nfs/dbraw/zinc/89/24/61/984892461.db2.gz MNFXOWFLFFKWIY-ISVAXAHUSA-N -1 0 310.358 -0.898 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368177447 984895789 /nfs/dbraw/zinc/89/57/89/984895789.db2.gz NACYFVZHLYNFBT-HZMBPMFUSA-N -1 0 324.385 -0.494 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)CC2(C)CC2)c1[O-] ZINC001533230122 1015083102 /nfs/dbraw/zinc/08/31/02/1015083102.db2.gz GWUGYVAUPFVONA-SECBINFHSA-N -1 0 310.354 -0.179 20 0 DBADRM CC/C(C)=C\C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001533233014 1015086399 /nfs/dbraw/zinc/08/63/99/1015086399.db2.gz UJUUIUXJNZHBKQ-DAGBOUIGSA-N -1 0 310.354 -0.013 20 0 DBADRM O=C(CC1CCCC1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368282039 985031057 /nfs/dbraw/zinc/03/10/57/985031057.db2.gz NGERCJGPJVZPSF-UHFFFAOYSA-N -1 0 309.370 -0.247 20 0 DBADRM Cc1nc(CN2CC(O)(CNC(=O)c3[nH]nc(C)c3[O-])C2)co1 ZINC001368290161 985044136 /nfs/dbraw/zinc/04/41/36/985044136.db2.gz PVODYSDOGPAAKH-UHFFFAOYSA-N -1 0 321.337 -0.303 20 0 DBADRM CCN1CCO[C@H](C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC001596442647 1017146914 /nfs/dbraw/zinc/14/69/14/1017146914.db2.gz NPSGXUPOURRUNI-TUAOUCFPSA-N -1 0 300.355 -0.154 20 0 DBADRM CN(C[C@@H]1CCN1Cc1ccon1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001368439265 985175928 /nfs/dbraw/zinc/17/59/28/985175928.db2.gz VLISWYJXPIPWKF-JTQLQIEISA-N -1 0 322.325 -0.590 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001368534551 985253633 /nfs/dbraw/zinc/25/36/33/985253633.db2.gz YIDUSDQPZDRXLH-CMPLNLGQSA-N -1 0 311.386 -0.002 20 0 DBADRM CCN1CCO[C@H](C(=O)N(CCC(=O)[O-])CC(OC)OC)C1 ZINC001596442701 1017147342 /nfs/dbraw/zinc/14/73/42/1017147342.db2.gz OXAOEELUZVCSJG-NSHDSACASA-N -1 0 318.370 -0.371 20 0 DBADRM CC[C@H](F)C(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001368616338 985310650 /nfs/dbraw/zinc/31/06/50/985310650.db2.gz SJCDAHMQPWUKHC-TVQRCGJNSA-N -1 0 315.349 -0.299 20 0 DBADRM CN1C[C@H](NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001368709510 985366986 /nfs/dbraw/zinc/36/69/86/985366986.db2.gz XURNBBDRZVMRBG-RKDXNWHRSA-N -1 0 308.342 -0.370 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CCc2cn[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001368782975 985430049 /nfs/dbraw/zinc/43/00/49/985430049.db2.gz BFGGNZQETRGSFB-SCZZXKLOSA-N -1 0 320.357 -0.660 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NCc2nnnn2C)c1[O-] ZINC001368849053 985506181 /nfs/dbraw/zinc/50/61/81/985506181.db2.gz WCVVYZUJWUDLLY-NKWVEPMBSA-N -1 0 308.346 -0.756 20 0 DBADRM CCNC(=O)CCCC(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001596457214 1017148523 /nfs/dbraw/zinc/14/85/23/1017148523.db2.gz RITAJHGUNYBHJY-SECBINFHSA-N -1 0 302.327 -0.375 20 0 DBADRM C[C@@H](CNC(=O)C[C@H]1CCCC(=O)N1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001368966702 985618510 /nfs/dbraw/zinc/61/85/10/985618510.db2.gz XDRDJZDTUWYYDB-VHSXEESVSA-N -1 0 324.385 -0.494 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)CC[C@@H]3CCOC3)C2)nc1=O ZINC001490882898 1015146464 /nfs/dbraw/zinc/14/64/64/1015146464.db2.gz TYVGBESOVZGKPS-IJLUTSLNSA-N -1 0 323.397 -0.338 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)Cc1cnn(C)c1 ZINC001368999895 985639176 /nfs/dbraw/zinc/63/91/76/985639176.db2.gz YVTDVKPACHMCPM-VIFPVBQESA-N -1 0 323.357 -0.941 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)Cc1cnn(C)c1 ZINC001368999889 985639745 /nfs/dbraw/zinc/63/97/45/985639745.db2.gz YVTDVKPACHMCPM-SECBINFHSA-N -1 0 323.357 -0.941 20 0 DBADRM CC(C)[C@H](F)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369025881 985671752 /nfs/dbraw/zinc/67/17/52/985671752.db2.gz FXXZYTQNJJCDQI-JTQLQIEISA-N -1 0 315.349 -0.443 20 0 DBADRM CC1(CC(=O)NC2(CCO)CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001369031451 985680038 /nfs/dbraw/zinc/68/00/38/985680038.db2.gz IWKPCHAQKNSREN-UHFFFAOYSA-N -1 0 309.370 -0.247 20 0 DBADRM CC[C@H](C)C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001533381871 1015160425 /nfs/dbraw/zinc/16/04/25/1015160425.db2.gz KDVYLRLHEPHXDV-LGYSABEFSA-N -1 0 309.326 -0.269 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)N[C@H]2CCNC2=O)c(C(=O)[O-])c1C ZINC001589244726 985848206 /nfs/dbraw/zinc/84/82/06/985848206.db2.gz XBSVRNKHXIIZSG-QMMMGPOBSA-N -1 0 307.306 -0.229 20 0 DBADRM O=C(CC[C@@H]1CCCO1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001369313499 985866378 /nfs/dbraw/zinc/86/63/78/985866378.db2.gz YVCPSLSLWDDAMV-ZJUUUORDSA-N -1 0 313.358 -0.964 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2conc2C)c1[O-] ZINC001369325175 985888539 /nfs/dbraw/zinc/88/85/39/985888539.db2.gz TYUCQRIYGGRDNM-SNVBAGLBSA-N -1 0 309.326 -0.399 20 0 DBADRM Cc1coc(C)c1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001369341083 985922466 /nfs/dbraw/zinc/92/24/66/985922466.db2.gz XOEOQSPSYUULAZ-SECBINFHSA-N -1 0 309.326 -0.399 20 0 DBADRM Cc1c(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)ccn1C ZINC001369344751 985936759 /nfs/dbraw/zinc/93/67/59/985936759.db2.gz AWTJDDPUGIURBS-VIFPVBQESA-N -1 0 308.342 -0.962 20 0 DBADRM CCNC(=O)C(C)(C)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001596450568 1017149299 /nfs/dbraw/zinc/14/92/99/1017149299.db2.gz JZROOIFAJXHGAY-UHFFFAOYSA-N -1 0 309.322 -0.423 20 0 DBADRM CC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])cc1 ZINC001589301198 986056167 /nfs/dbraw/zinc/05/61/67/986056167.db2.gz RCPYXOCRULURGP-NSHDSACASA-N -1 0 308.290 -0.221 20 0 DBADRM CCNC(=O)[C@H](C)NS(=O)(=O)c1csnc1C(=O)[O-] ZINC001596451888 1017149762 /nfs/dbraw/zinc/14/97/62/1017149762.db2.gz LUDNOGMEIFGEAE-YFKPBYRVSA-N -1 0 307.353 -0.356 20 0 DBADRM CCN1CCOC[C@H]1C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001596445065 1017149784 /nfs/dbraw/zinc/14/97/84/1017149784.db2.gz YUPNJZPTHMOQIX-NSHDSACASA-N -1 0 300.355 -0.153 20 0 DBADRM O=C(NCC=CCNC(=O)[C@H]1CC12CC2)c1n[nH]c(=O)[n-]c1=O ZINC001533575374 1015198408 /nfs/dbraw/zinc/19/84/08/1015198408.db2.gz GFKGNCYRJFYKSJ-SLYZXXNYSA-N -1 0 319.321 -0.515 20 0 DBADRM CNC(=O)CN(C)CCN(C(=O)c1n[nH]c(C)c1[O-])C(C)C ZINC001369526144 986272347 /nfs/dbraw/zinc/27/23/47/986272347.db2.gz XUFZKNGAKMKWRI-UHFFFAOYSA-N -1 0 311.386 -0.048 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H](C)NC(=O)C1CCC1 ZINC001369658131 986316710 /nfs/dbraw/zinc/31/67/10/986316710.db2.gz NWOQCYMEZHVJPK-HTQZYQBOSA-N -1 0 311.342 -0.501 20 0 DBADRM C[C@@H](CNC(=O)C(F)F)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001369768910 986353265 /nfs/dbraw/zinc/35/32/65/986353265.db2.gz WRHBZRRMEWSDPM-BYPYZUCNSA-N -1 0 305.241 -0.875 20 0 DBADRM COCC(=O)N[C@H]1CCCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001369795337 986366066 /nfs/dbraw/zinc/36/60/66/986366066.db2.gz NTWFPQBSEPUXKT-NSHDSACASA-N -1 0 319.365 -0.250 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC001369817458 986382968 /nfs/dbraw/zinc/38/29/68/986382968.db2.gz AECDCELEIFPTGK-VXNVDRBHSA-N -1 0 323.353 -0.721 20 0 DBADRM CCCNC(=O)CN1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001369965597 986505058 /nfs/dbraw/zinc/50/50/58/986505058.db2.gz BZQLRUSLSXQLDX-SNVBAGLBSA-N -1 0 309.370 -0.246 20 0 DBADRM O=C(CO[C@@H]1CCOC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369979890 986523825 /nfs/dbraw/zinc/52/38/25/986523825.db2.gz AHKADZVKJHZCRL-NXEZZACHSA-N -1 0 311.342 -0.994 20 0 DBADRM Cn1ccnc1CCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001370011356 986554921 /nfs/dbraw/zinc/55/49/21/986554921.db2.gz PJPQBKQNKPFCOI-SNVBAGLBSA-N -1 0 319.369 -0.433 20 0 DBADRM C[C@H](CN(C)C(=O)CCCF)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001370596066 986813181 /nfs/dbraw/zinc/81/31/81/986813181.db2.gz WKAOOUXRBWPTEH-MRVPVSSYSA-N -1 0 317.321 -0.598 20 0 DBADRM O=C(C=C1CCC1)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001491221455 1015296330 /nfs/dbraw/zinc/29/63/30/1015296330.db2.gz CPRUHWDMDJLYBX-UHFFFAOYSA-N -1 0 315.333 -0.021 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1Cc2cccnc2C1)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001371443866 987349768 /nfs/dbraw/zinc/34/97/68/987349768.db2.gz SDWKUQKNSVNLKY-MWLCHTKSSA-N -1 0 316.365 -0.085 20 0 DBADRM CC1(C(=O)NC[C@H]2CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001534953333 1015311631 /nfs/dbraw/zinc/31/16/31/1015311631.db2.gz FMDLTTLSRDCNPS-MRVPVSSYSA-N -1 0 321.337 -0.196 20 0 DBADRM CC[C@H](C)C(=O)N1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001534952581 1015312346 /nfs/dbraw/zinc/31/23/46/1015312346.db2.gz YGAIYFOCIVDHIL-IUCAKERBSA-N -1 0 311.342 -0.548 20 0 DBADRM CCNC(=O)NCCNS(=O)(=O)c1occc1C(=O)[O-] ZINC001596470904 1017152826 /nfs/dbraw/zinc/15/28/26/1017152826.db2.gz OMKDMPPEIANCTC-UHFFFAOYSA-N -1 0 305.312 -0.425 20 0 DBADRM CCNC(=O)NCCNS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001596470973 1017152858 /nfs/dbraw/zinc/15/28/58/1017152858.db2.gz QTWHGMOEMYMNDN-UHFFFAOYSA-N -1 0 319.339 -0.116 20 0 DBADRM O=C(CCCF)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001371988857 987592074 /nfs/dbraw/zinc/59/20/74/987592074.db2.gz UWNFXSATNHTLDU-UHFFFAOYSA-N -1 0 313.289 -0.683 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001372410744 987757480 /nfs/dbraw/zinc/75/74/80/987757480.db2.gz KGLUUAAGRAFPNN-HGNGGELXSA-N -1 0 323.353 -0.644 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001372568938 987809335 /nfs/dbraw/zinc/80/93/35/987809335.db2.gz SWDZQJTUTHOZBZ-JTQLQIEISA-N -1 0 319.369 -0.135 20 0 DBADRM NC(=O)CCCC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001372591829 987815671 /nfs/dbraw/zinc/81/56/71/987815671.db2.gz OETJOOZZYOGBDM-VIFPVBQESA-N -1 0 310.358 -0.754 20 0 DBADRM CC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001372693326 987846915 /nfs/dbraw/zinc/84/69/15/987846915.db2.gz HROBYHJFVGEMHF-PSASIEDQSA-N -1 0 311.342 -0.548 20 0 DBADRM Cn1cc(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)cn1 ZINC001372762931 987867912 /nfs/dbraw/zinc/86/79/12/987867912.db2.gz MWBXKRDSWPCPEY-UHFFFAOYSA-N -1 0 305.342 -0.362 20 0 DBADRM Cn1ccc(CC(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)n1 ZINC001372803072 987886735 /nfs/dbraw/zinc/88/67/35/987886735.db2.gz JDGHYEAWNWPGGR-UHFFFAOYSA-N -1 0 319.369 -0.433 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@@H](C)n2cncn2)c1[O-] ZINC001372818937 987894794 /nfs/dbraw/zinc/89/47/94/987894794.db2.gz JDKULQOTNKUBAK-IONNQARKSA-N -1 0 321.341 -0.489 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2csnn2)c1[O-] ZINC001372825871 987899468 /nfs/dbraw/zinc/89/94/68/987899468.db2.gz SMSIYBAIPAXTOD-YFKPBYRVSA-N -1 0 310.339 -0.176 20 0 DBADRM CCC(=O)NCC(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001372827186 987899968 /nfs/dbraw/zinc/89/99/68/987899968.db2.gz YTVPRMOCGGTPNL-ZETCQYMHSA-N -1 0 311.342 -0.816 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)c1ncccn1 ZINC001372878571 987936583 /nfs/dbraw/zinc/93/65/83/987936583.db2.gz CYCICHOTMQDPKA-UHFFFAOYSA-N -1 0 303.326 -0.305 20 0 DBADRM C[C@H](CNC(=O)CC1(C)CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001372972559 988010345 /nfs/dbraw/zinc/01/03/45/988010345.db2.gz FPZNCMRCZQVBMG-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1CC12CC2 ZINC001373010537 988038319 /nfs/dbraw/zinc/03/83/19/988038319.db2.gz CTUHZQSDMMEZRG-HTQZYQBOSA-N -1 0 309.326 -0.890 20 0 DBADRM CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001596514996 1017153908 /nfs/dbraw/zinc/15/39/08/1017153908.db2.gz BWBQMSSGIFJZNO-LLVKDONJSA-N -1 0 320.323 -0.695 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(C(=O)[O-])no2)C1 ZINC001596495638 1017153960 /nfs/dbraw/zinc/15/39/60/1017153960.db2.gz CVKHIFFDFDIKHH-SECBINFHSA-N -1 0 303.340 -0.114 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCC(C)(C)C(=O)[O-])C1 ZINC001596494714 1017153997 /nfs/dbraw/zinc/15/39/97/1017153997.db2.gz VBKAJWRUBCMFHH-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CO[C@@H](CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)C(F)(F)F ZINC001373471100 988378428 /nfs/dbraw/zinc/37/84/28/988378428.db2.gz NPUUXAYWSFKPQV-ZETCQYMHSA-N -1 0 323.275 -0.222 20 0 DBADRM O=C(CCC1CC1)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001535651528 1015381829 /nfs/dbraw/zinc/38/18/29/1015381829.db2.gz AVQAJCQENBIKFZ-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM CN(CCNC(=O)Cn1ccnc1)C(=O)c1ncccc1O ZINC001373533268 988426404 /nfs/dbraw/zinc/42/64/04/988426404.db2.gz DDCJDLZMVLIYKW-UHFFFAOYSA-N -1 0 303.322 -0.128 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001373616275 988492584 /nfs/dbraw/zinc/49/25/84/988492584.db2.gz SDEWSMZMVZUPJF-IUCAKERBSA-N -1 0 308.338 -0.670 20 0 DBADRM COC[C@@H](OC)C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373681176 988544804 /nfs/dbraw/zinc/54/48/04/988544804.db2.gz JMOXTCYWPIVEDG-NXEZZACHSA-N -1 0 313.358 -0.796 20 0 DBADRM CN(C(=O)CCn1ccnc1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373679062 988547656 /nfs/dbraw/zinc/54/76/56/988547656.db2.gz RQXNQEAUDRZBQW-NSHDSACASA-N -1 0 319.369 -0.170 20 0 DBADRM CCN(CCNC(=O)CC1CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001373733916 988575271 /nfs/dbraw/zinc/57/52/71/988575271.db2.gz ZXLLZUSCKICDNO-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NCc1nnn(C)n1 ZINC001373741358 988580571 /nfs/dbraw/zinc/58/05/71/988580571.db2.gz JKOHPFQNPNJZCC-QMMMGPOBSA-N -1 0 308.346 -0.755 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001596519213 1017154612 /nfs/dbraw/zinc/15/46/12/1017154612.db2.gz JPGKALLVKBCVGW-SSDOTTSWSA-N -1 0 300.267 -0.043 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(c2cnc(C(=O)[O-])cn2)C1 ZINC001596495820 1017154623 /nfs/dbraw/zinc/15/46/23/1017154623.db2.gz JZANAOPHXZZSCO-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM CCC(=O)NC[C@@H]1CCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001373975775 988705944 /nfs/dbraw/zinc/70/59/44/988705944.db2.gz UUPMNWNLNIWGIM-VIFPVBQESA-N -1 0 308.338 -0.383 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN([C@@H](C)c3nnnn3C)CC2)c1[O-] ZINC001374069812 988766554 /nfs/dbraw/zinc/76/65/54/988766554.db2.gz BZEFNWLBOJVXCK-VIFPVBQESA-N -1 0 320.357 -0.534 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)C1CC1 ZINC001374122444 988787919 /nfs/dbraw/zinc/78/79/19/988787919.db2.gz JLFHTNLNFUZQLF-KOLCDFICSA-N -1 0 309.370 -0.127 20 0 DBADRM CCO[C@H](C)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001374125465 988793015 /nfs/dbraw/zinc/79/30/15/988793015.db2.gz REBZAVRNTMJJDJ-ZJUUUORDSA-N -1 0 313.358 -0.748 20 0 DBADRM O=C(Cc1ccon1)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001374126651 988794795 /nfs/dbraw/zinc/79/47/95/988794795.db2.gz WFQBFKOTPKCBIZ-SNVBAGLBSA-N -1 0 322.325 -0.942 20 0 DBADRM COC(=O)[C@H]1C[C@@H]1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001374473160 988883300 /nfs/dbraw/zinc/88/33/00/988883300.db2.gz YONBHNUXXZHCLY-IUCAKERBSA-N -1 0 311.342 -0.790 20 0 DBADRM Cc1cc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)cnn1 ZINC001374488970 988888033 /nfs/dbraw/zinc/88/80/33/988888033.db2.gz LRUXSGSKDCVBLN-UHFFFAOYSA-N -1 0 305.342 -0.187 20 0 DBADRM CC(C)(C)CC(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001374582332 988945529 /nfs/dbraw/zinc/94/55/29/988945529.db2.gz PJZFXDHGSDZESQ-UHFFFAOYSA-N -1 0 311.342 -0.548 20 0 DBADRM CCc1ncncc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597709752 988962313 /nfs/dbraw/zinc/96/23/13/988962313.db2.gz WWMXBIIAPDHYJG-NXEZZACHSA-N -1 0 318.333 -0.300 20 0 DBADRM CCc1nn(C)cc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001597718856 988997306 /nfs/dbraw/zinc/99/73/06/988997306.db2.gz VULLYIQUFRKAAC-RKDXNWHRSA-N -1 0 309.322 -0.072 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N[C@@]1(CC(=O)[O-])CCOC1)C(C)=O ZINC001596525426 1017155096 /nfs/dbraw/zinc/15/50/96/1017155096.db2.gz BSZZLSDAFUCGLA-QMTHXVAHSA-N -1 0 315.322 -0.105 20 0 DBADRM CC[C@H](C)[C@H](C)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001374726429 989171183 /nfs/dbraw/zinc/17/11/83/989171183.db2.gz MDXAYSMTSJFBHW-YUMQZZPRSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(C)CCC(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001374725307 989171893 /nfs/dbraw/zinc/17/18/93/989171893.db2.gz FPFSBKVHJCAUIZ-UHFFFAOYSA-N -1 0 309.326 -0.340 20 0 DBADRM CC[C@@H](F)C(=O)NC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001374733921 989177439 /nfs/dbraw/zinc/17/74/39/989177439.db2.gz PYZCGJLDUIKADG-SNVBAGLBSA-N -1 0 321.312 -0.289 20 0 DBADRM C[C@@H]1CN(C(=O)c2nc(N)nc(N(C)C)n2)C[C@H]1CC(=O)[O-] ZINC001599863993 989214070 /nfs/dbraw/zinc/21/40/70/989214070.db2.gz HMOUTEPFFMXCBH-HTQZYQBOSA-N -1 0 308.342 -0.297 20 0 DBADRM CCC1(C(=O)NCC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001374900129 989300496 /nfs/dbraw/zinc/30/04/96/989300496.db2.gz CCZHKFVJKUUXFN-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@@](C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001536873733 1015472319 /nfs/dbraw/zinc/47/23/19/1015472319.db2.gz FRTHOOVVBLWFGE-RXTQTKKPSA-N -1 0 323.353 -0.237 20 0 DBADRM CC(=O)N1CC[C@](C)(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001536849615 1015470394 /nfs/dbraw/zinc/47/03/94/1015470394.db2.gz MRLNNKVJRDZLBW-ZDUSSCGKSA-N -1 0 311.342 -0.403 20 0 DBADRM Cc1nc(CN(C)C[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)co1 ZINC001375077663 989414284 /nfs/dbraw/zinc/41/42/84/989414284.db2.gz YMGVMNZYIGYXEP-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC(C)C1 ZINC001375170981 989467395 /nfs/dbraw/zinc/46/73/95/989467395.db2.gz PSLJUWIFBPBUIU-AMDVSUOASA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001375171344 989467542 /nfs/dbraw/zinc/46/75/42/989467542.db2.gz PJIQUPYQVONVEU-HRDYMLBCSA-N -1 0 311.342 -0.644 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC001536984521 1015482524 /nfs/dbraw/zinc/48/25/24/1015482524.db2.gz AKNYJZOOVHBUSM-UHFFFAOYSA-N -1 0 307.310 -0.612 20 0 DBADRM Cc1ccc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC001375416001 989591206 /nfs/dbraw/zinc/59/12/06/989591206.db2.gz HYOYAIDVLBXXJJ-UHFFFAOYSA-N -1 0 303.326 -0.339 20 0 DBADRM Cc1ncc(C(=O)NCC2(NCc3nc(=O)n(C)[nH]3)CC2)n1C ZINC001375477270 989618444 /nfs/dbraw/zinc/61/84/44/989618444.db2.gz LMPYKICSRQWBAY-UHFFFAOYSA-N -1 0 319.369 -0.797 20 0 DBADRM Cc1conc1CNC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001375539787 989654144 /nfs/dbraw/zinc/65/41/44/989654144.db2.gz XXIXBUJQFVFKMU-UHFFFAOYSA-N -1 0 322.325 -0.576 20 0 DBADRM CC(C)OCCN1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001375688340 989742563 /nfs/dbraw/zinc/74/25/63/989742563.db2.gz BPZKKQYJGHQWFG-UHFFFAOYSA-N -1 0 311.342 -0.536 20 0 DBADRM CCNC(=O)CCC(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375824748 989813228 /nfs/dbraw/zinc/81/32/28/989813228.db2.gz YPEZYHTWIHMLLI-CQSZACIVSA-N -1 0 324.385 -0.493 20 0 DBADRM C[C@@]1(NC(=O)CCc2cn[nH]c2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375849432 989816690 /nfs/dbraw/zinc/81/66/90/989816690.db2.gz LYHDHBPIOWMCJV-CQSZACIVSA-N -1 0 319.369 -0.053 20 0 DBADRM CC(C)(C)CC(=O)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001491592307 1015506275 /nfs/dbraw/zinc/50/62/75/1015506275.db2.gz LSLAGYKPKNCWKP-UHFFFAOYSA-N -1 0 313.358 -0.252 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376033433 989849394 /nfs/dbraw/zinc/84/93/94/989849394.db2.gz NJBMGHTXORYXLE-PSASIEDQSA-N -1 0 310.358 -0.885 20 0 DBADRM CC(C)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001376049899 989856951 /nfs/dbraw/zinc/85/69/51/989856951.db2.gz VSWDYEJYEXMBTA-IWSPIJDZSA-N -1 0 323.353 -0.191 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NCc1cc(C(=O)[O-])co1 ZINC001596496025 1017155633 /nfs/dbraw/zinc/15/56/33/1017155633.db2.gz QUFLXVMSUAGYHI-UHFFFAOYSA-N -1 0 319.339 -0.284 20 0 DBADRM CON(C)C(=O)c1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1CCO ZINC001539993362 1015521298 /nfs/dbraw/zinc/52/12/98/1015521298.db2.gz NZCGHWQEZDSHNV-UHFFFAOYSA-N -1 0 321.337 -0.259 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CC[C@H](F)C1 ZINC001376234601 989970170 /nfs/dbraw/zinc/97/01/70/989970170.db2.gz KMOPWOKDYOBVQX-IUCAKERBSA-N -1 0 313.333 -0.689 20 0 DBADRM CCOCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001376443306 990063374 /nfs/dbraw/zinc/06/33/74/990063374.db2.gz FNGKDOVFZSJSKT-PHIMTYICSA-N -1 0 319.365 -0.204 20 0 DBADRM CC(C)(F)C(=O)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376457751 990077972 /nfs/dbraw/zinc/07/79/72/990077972.db2.gz XIIFUPUTYRZQRC-CYBMUJFWSA-N -1 0 315.349 -0.299 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C(C)C)c1[O-] ZINC001376580808 990200057 /nfs/dbraw/zinc/20/00/57/990200057.db2.gz GXIGSXZIWOEHQU-WPRPVWTQSA-N -1 0 312.370 -0.077 20 0 DBADRM CCc1cnc(CN[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001491653647 1015546583 /nfs/dbraw/zinc/54/65/83/1015546583.db2.gz DSDCIAIHQTVLSU-QMMMGPOBSA-N -1 0 324.341 -0.466 20 0 DBADRM CCO[C@H](C)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001376637565 990238485 /nfs/dbraw/zinc/23/84/85/990238485.db2.gz UJPZCAWTBAINGL-NXEZZACHSA-N -1 0 313.358 -0.748 20 0 DBADRM Cc1ccnc(CN[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001491655011 1015549059 /nfs/dbraw/zinc/54/90/59/1015549059.db2.gz RTNXTQFOZANQFD-VIFPVBQESA-N -1 0 321.341 -0.918 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C(C)(C)F ZINC001376687240 990267707 /nfs/dbraw/zinc/26/77/07/990267707.db2.gz AFPJHMUQFVVPBY-SSDOTTSWSA-N -1 0 314.317 -0.532 20 0 DBADRM COCCNc1nc(CC(=O)NCc2n[nH]c(=O)[n-]2)cs1 ZINC001545329380 1015550348 /nfs/dbraw/zinc/55/03/48/1015550348.db2.gz HTYAQUOMMBAFJM-UHFFFAOYSA-N -1 0 312.355 -0.116 20 0 DBADRM Cn1nc(C(=O)[N-]N2CC(=O)N(C)C2=O)cc1Br ZINC001545869361 1015552859 /nfs/dbraw/zinc/55/28/59/1015552859.db2.gz MCDKMXXHABXKQR-UHFFFAOYSA-N -1 0 316.115 -0.279 20 0 DBADRM Cn1[nH]cnc1=NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001546021828 1015556763 /nfs/dbraw/zinc/55/67/63/1015556763.db2.gz PEFJIHAEHSFJRL-UHFFFAOYSA-N -1 0 301.266 -0.931 20 0 DBADRM Cn1nccc1[C@H]1[C@@H](N=c2nn[n-]n2C)CC(=O)N1C1CC1 ZINC001548390991 1015561190 /nfs/dbraw/zinc/56/11/90/1015561190.db2.gz WNEYMERMUMLIHO-JOYOIKCWSA-N -1 0 302.342 -0.718 20 0 DBADRM CC1(C)C[C@H]1C(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001377149515 990458031 /nfs/dbraw/zinc/45/80/31/990458031.db2.gz RRBQIIWFLSQDQN-ZUZCIYMTSA-N -1 0 323.397 -0.001 20 0 DBADRM C[C@H](CNC(=O)C(C)(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001377183339 990473082 /nfs/dbraw/zinc/47/30/82/990473082.db2.gz ATHVKEIFFOUYPB-SCSAIBSYSA-N -1 0 305.241 -0.828 20 0 DBADRM Cc1nocc1CN(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001377251521 990502802 /nfs/dbraw/zinc/50/28/02/990502802.db2.gz WJGKCRYZFZJDGZ-UHFFFAOYSA-N -1 0 310.314 -0.766 20 0 DBADRM CCN(CCNC(=O)Cc1cc(C)on1)Cc1n[nH]c(=O)[n-]1 ZINC001377293191 990520711 /nfs/dbraw/zinc/52/07/11/990520711.db2.gz VXYFDRDBXNLIML-UHFFFAOYSA-N -1 0 308.342 -0.012 20 0 DBADRM CCN(CCNC(=O)c1cccc(=O)[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001377295760 990521562 /nfs/dbraw/zinc/52/15/62/990521562.db2.gz PDCLGWAUHBNMDD-UHFFFAOYSA-N -1 0 306.326 -0.137 20 0 DBADRM CCN(CCNC(=O)C1(F)CCOCC1)Cc1n[nH]c(=O)[n-]1 ZINC001377307301 990526624 /nfs/dbraw/zinc/52/66/24/990526624.db2.gz BCESCKCEUSNYEI-UHFFFAOYSA-N -1 0 315.349 -0.033 20 0 DBADRM CCN(CCNC(=O)[C@H]1CCN(C)C(=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001377318132 990530363 /nfs/dbraw/zinc/53/03/63/990530363.db2.gz LADWZKFADRQUJS-JTQLQIEISA-N -1 0 324.385 -0.683 20 0 DBADRM CCN(CCNC(=O)Cn1ccccc1=O)Cc1n[nH]c(=O)[n-]1 ZINC001377364197 990549908 /nfs/dbraw/zinc/54/99/08/990549908.db2.gz KARHWRZYAULBRN-UHFFFAOYSA-N -1 0 320.353 -0.690 20 0 DBADRM Cn1ccc(CC(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001377447047 990603262 /nfs/dbraw/zinc/60/32/62/990603262.db2.gz XBMPIAXCUSRYIU-JTQLQIEISA-N -1 0 319.369 -0.575 20 0 DBADRM C[C@@H](CCNC(=O)COc1cccnc1)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001377505318 990633199 /nfs/dbraw/zinc/63/31/99/990633199.db2.gz VAQNNDSDRLKLMY-JTQLQIEISA-N -1 0 320.353 -0.031 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C2CC2)[C@H]2CCCNC2=O)c1[O-] ZINC001377521291 990640908 /nfs/dbraw/zinc/64/09/08/990640908.db2.gz GBJLWKMYTAUYJD-NSHDSACASA-N -1 0 321.381 -0.103 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CC12CC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001377851285 990757434 /nfs/dbraw/zinc/75/74/34/990757434.db2.gz KHBHTLWZGBAAGW-BQBZGAKWSA-N -1 0 307.310 -0.683 20 0 DBADRM CC[C@@H](OC)C(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001377866914 990765505 /nfs/dbraw/zinc/76/55/05/990765505.db2.gz CYZVODLUKIDMNC-GFCCVEGCSA-N -1 0 319.365 -0.252 20 0 DBADRM CCOC(=O)[C@@H](CC)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001596528594 1017157281 /nfs/dbraw/zinc/15/72/81/1017157281.db2.gz WQSALFRGQFIVLV-NXEZZACHSA-N -1 0 307.368 -0.098 20 0 DBADRM COc1cc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001378046337 990836687 /nfs/dbraw/zinc/83/66/87/990836687.db2.gz WWPUZLBACDZPCT-MRVPVSSYSA-N -1 0 321.341 -0.441 20 0 DBADRM O=C(CCc1cn[nH]c1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378075876 990848137 /nfs/dbraw/zinc/84/81/37/990848137.db2.gz XQLGFDYPDJPTFA-JTQLQIEISA-N -1 0 305.342 -0.443 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001378118582 990862503 /nfs/dbraw/zinc/86/25/03/990862503.db2.gz LDEWZRZBTMUQPP-BDAKNGLRSA-N -1 0 310.358 -0.932 20 0 DBADRM CC(F)(F)C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001378189698 990877903 /nfs/dbraw/zinc/87/79/03/990877903.db2.gz DENLIIDMVTUULB-LURJTMIESA-N -1 0 319.268 -0.938 20 0 DBADRM Cc1nccc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001378220548 990885786 /nfs/dbraw/zinc/88/57/86/990885786.db2.gz KAOCUZRQNBQTPX-QMMMGPOBSA-N -1 0 305.342 -0.141 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)Cn2cccn2)c1[O-] ZINC001378234842 990890902 /nfs/dbraw/zinc/89/09/02/990890902.db2.gz ZBOHLBKVPYBYKJ-JTQLQIEISA-N -1 0 318.337 -0.349 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1C(=O)C1CC1 ZINC001378419419 990967374 /nfs/dbraw/zinc/96/73/74/990967374.db2.gz LSAMNDXYGQQGLV-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM CC(=O)NCC(=O)NC[C@@H]1CCCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001378454542 990976641 /nfs/dbraw/zinc/97/66/41/990976641.db2.gz PBPIQIMIQQXLLH-NSHDSACASA-N -1 0 324.385 -0.493 20 0 DBADRM O=C(CCCF)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001378460645 990980024 /nfs/dbraw/zinc/98/00/24/990980024.db2.gz BOEKNLMUCUBPRA-ZETCQYMHSA-N -1 0 313.289 -0.637 20 0 DBADRM CC1(C(=O)N2CC[C@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001378474902 990983583 /nfs/dbraw/zinc/98/35/83/990983583.db2.gz NPPMPMTULQSFGA-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM CCOC(=O)C1(COC)CCN(CC(=O)NCC(=O)[O-])CC1 ZINC001596559315 1017157671 /nfs/dbraw/zinc/15/76/71/1017157671.db2.gz GKMVQOYCJJKALP-UHFFFAOYSA-N -1 0 316.354 -0.521 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)Cc3ncc[nH]3)CC2)c1[O-] ZINC001378743629 991139571 /nfs/dbraw/zinc/13/95/71/991139571.db2.gz ICENRSVOCHHZJA-UHFFFAOYSA-N -1 0 318.337 -0.232 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNCc2ncnn2C)c1[O-] ZINC001378748196 991144113 /nfs/dbraw/zinc/14/41/13/991144113.db2.gz ALIXXKFWQYAZBP-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001378985738 991263329 /nfs/dbraw/zinc/26/33/29/991263329.db2.gz KRNGPOYMDQIMRF-RKDXNWHRSA-N -1 0 323.353 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3ccncn3)CC2)c1[O-] ZINC001379048858 991301521 /nfs/dbraw/zinc/30/15/21/991301521.db2.gz VHTKQKXDUAFFLE-UHFFFAOYSA-N -1 0 316.321 -0.094 20 0 DBADRM COCc1nocc1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001379115111 991340931 /nfs/dbraw/zinc/34/09/31/991340931.db2.gz CXKKGJYAULWFOR-UHFFFAOYSA-N -1 0 324.341 -0.151 20 0 DBADRM CCOC(=O)[C@@H](CC)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001596528596 1017158100 /nfs/dbraw/zinc/15/81/00/1017158100.db2.gz WQSALFRGQFIVLV-VHSXEESVSA-N -1 0 307.368 -0.098 20 0 DBADRM CCOC(=O)[C@@H](N)C(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001596536271 1017158125 /nfs/dbraw/zinc/15/81/25/1017158125.db2.gz WGCWLYGFNCHRGW-MNOVXSKESA-N -1 0 309.322 -0.669 20 0 DBADRM CCOC(=O)[C@H](CO)NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001596535150 1017158359 /nfs/dbraw/zinc/15/83/59/1017158359.db2.gz PJXCPZRZKILELE-ZETCQYMHSA-N -1 0 321.307 -0.511 20 0 DBADRM Cc1ccn(C)c1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001379389551 991616680 /nfs/dbraw/zinc/61/66/80/991616680.db2.gz LFSIAOJJRXDPHM-SECBINFHSA-N -1 0 308.342 -0.962 20 0 DBADRM Cc1cc(CN[C@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])on1 ZINC001379393830 991622662 /nfs/dbraw/zinc/62/26/62/991622662.db2.gz DVLLVUCODMUYKZ-VIFPVBQESA-N -1 0 309.326 -0.399 20 0 DBADRM CCc1cccnc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001379434644 991664320 /nfs/dbraw/zinc/66/43/20/991664320.db2.gz NASBRXUQABQTGD-SNVBAGLBSA-N -1 0 320.353 -0.652 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)NC2CC(C(=O)[O-])C2)CCO1 ZINC001596581179 1017159515 /nfs/dbraw/zinc/15/95/15/1017159515.db2.gz ULKUMFMXFSYUEK-UDNWOFFPSA-N -1 0 300.311 -0.177 20 0 DBADRM Cc1nnc(CC(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)[nH]1 ZINC001379656663 991839197 /nfs/dbraw/zinc/83/91/97/991839197.db2.gz LDJUNFZSEGUGET-ZETCQYMHSA-N -1 0 308.346 -0.884 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001379726428 991863739 /nfs/dbraw/zinc/86/37/39/991863739.db2.gz VOUPQXZMJSDYHC-LKFCYVNXSA-N -1 0 324.385 -0.637 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CNCc2cnn(C)n2)C2CC2)c1[O-] ZINC001379854933 991974260 /nfs/dbraw/zinc/97/42/60/991974260.db2.gz CHLRQBYHLSGEHY-NSHDSACASA-N -1 0 319.369 -0.150 20 0 DBADRM COC[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001379912500 992025929 /nfs/dbraw/zinc/02/59/29/992025929.db2.gz PTOADOYQEJJYSL-UWVGGRQHSA-N -1 0 315.374 -0.956 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)CCC(F)F ZINC001379939787 992045889 /nfs/dbraw/zinc/04/58/89/992045889.db2.gz RJNFRAKARYCEQP-QMMMGPOBSA-N -1 0 321.328 -0.193 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001380067238 992120293 /nfs/dbraw/zinc/12/02/93/992120293.db2.gz MKVXGNMWIATLFE-HTQZYQBOSA-N -1 0 309.326 -0.942 20 0 DBADRM O=C(CO[C@H]1CCOC1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001380084043 992128012 /nfs/dbraw/zinc/12/80/12/992128012.db2.gz MJGKWHUJGKIXGE-VIFPVBQESA-N -1 0 311.342 -0.946 20 0 DBADRM Cn1ccnc1CCC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001380111289 992151729 /nfs/dbraw/zinc/15/17/29/992151729.db2.gz FUELUGPSZUKWGI-UHFFFAOYSA-N -1 0 319.369 -0.385 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@](O)(CNC(=O)C(C)C)C2)c1[O-] ZINC001380120168 992156528 /nfs/dbraw/zinc/15/65/28/992156528.db2.gz UNMDPFNZURSBRY-CQSZACIVSA-N -1 0 310.354 -0.227 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@](O)(CNC(=O)C(C)C)C2)c1[O-] ZINC001380120161 992156907 /nfs/dbraw/zinc/15/69/07/992156907.db2.gz UNMDPFNZURSBRY-AWEZNQCLSA-N -1 0 310.354 -0.227 20 0 DBADRM CCCC(=O)N(C)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001491995435 1015689552 /nfs/dbraw/zinc/68/95/52/1015689552.db2.gz NPMTWAKEUOMVLT-SECBINFHSA-N -1 0 311.342 -0.451 20 0 DBADRM Cn1nccc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001549040485 1015692315 /nfs/dbraw/zinc/69/23/15/1015692315.db2.gz ROLWEEHQDOCMGA-PHGLEFOZSA-N -1 0 306.322 -0.423 20 0 DBADRM CC(C)(C)C(=O)NCC1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001380324687 992251247 /nfs/dbraw/zinc/25/12/47/992251247.db2.gz VHZWDZMOGMCESD-UHFFFAOYSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H](NC(=O)C1(C)CC1)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001380476428 992324563 /nfs/dbraw/zinc/32/45/63/992324563.db2.gz RGQLAKQUDJOUKH-JGVFFNPUSA-N -1 0 311.342 -0.501 20 0 DBADRM C[C@]1(CNC(=O)c2nnc[nH]2)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380493903 992334017 /nfs/dbraw/zinc/33/40/17/992334017.db2.gz ZUODZWWXFTYNLA-CYBMUJFWSA-N -1 0 320.357 -0.340 20 0 DBADRM C[C@@]1(CNC(=O)c2nnc[nH]2)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380493908 992335445 /nfs/dbraw/zinc/33/54/45/992335445.db2.gz ZUODZWWXFTYNLA-ZDUSSCGKSA-N -1 0 320.357 -0.340 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC1(F)F ZINC001380533849 992366008 /nfs/dbraw/zinc/36/60/08/992366008.db2.gz MTBGJXNFKRHUBF-CPCISQLKSA-N -1 0 317.296 -0.782 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1(C2CC2)CC1 ZINC001380535815 992366445 /nfs/dbraw/zinc/36/64/45/992366445.db2.gz IAJURMCYMIYZDF-CQSZACIVSA-N -1 0 321.381 -0.247 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CC1(F)F ZINC001380533853 992366531 /nfs/dbraw/zinc/36/65/31/992366531.db2.gz MTBGJXNFKRHUBF-HQJQHLMTSA-N -1 0 317.296 -0.782 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C[C@@H]3CC[C@H](C)O3)C2)c1[O-] ZINC001380589321 992420835 /nfs/dbraw/zinc/42/08/35/992420835.db2.gz XFZKDPXPSCOHEK-ONGXEEELSA-N -1 0 324.381 -0.232 20 0 DBADRM CC(F)(F)CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380622607 992445604 /nfs/dbraw/zinc/44/56/04/992445604.db2.gz BHPFVZYWJUXMSR-UHFFFAOYSA-N -1 0 305.285 -0.782 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)NCc1nnc(C3CC3)[nH]1)C2 ZINC001549207515 1015710588 /nfs/dbraw/zinc/71/05/88/1015710588.db2.gz COJXEWSZLHHIOF-LKFCYVNXSA-N -1 0 321.337 -0.075 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CNC(=O)c1ccccn1)C2 ZINC001549218498 1015710682 /nfs/dbraw/zinc/71/06/82/1015710682.db2.gz BBUYGQSDTATAOD-BONVTDFDSA-N -1 0 319.317 -0.629 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)CNC(=O)c1ccccc1)C2 ZINC001549219400 1015712124 /nfs/dbraw/zinc/71/21/24/1015712124.db2.gz IFDXXBLIJZAJRG-BLLLJJGKSA-N -1 0 318.329 -0.024 20 0 DBADRM Cc1nc(C)c(CC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)c(=O)[nH]1 ZINC001549222095 1015712674 /nfs/dbraw/zinc/71/26/74/1015712674.db2.gz LUWQDTHVHQXNEF-BMIGLBTASA-N -1 0 321.333 -0.099 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)CCC1 ZINC001549229670 1015712765 /nfs/dbraw/zinc/71/27/65/1015712765.db2.gz QCICQZPVVABIRH-JOYOIKCWSA-N -1 0 317.363 -0.487 20 0 DBADRM Cn1nnc2cc(C(=O)N3C[C@H]4COC[C@]4(C(=O)[O-])C3)cnc21 ZINC001549226284 1015712903 /nfs/dbraw/zinc/71/29/03/1015712903.db2.gz YLFAVTXNTRECNN-LKFCYVNXSA-N -1 0 317.305 -0.464 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)cn1 ZINC001549219618 1015713751 /nfs/dbraw/zinc/71/37/51/1015713751.db2.gz CEHKMWPAHNSVNX-BMIGLBTASA-N -1 0 319.317 -0.386 20 0 DBADRM CCOC(=O)C[C@@H](O)CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001596593819 1017162535 /nfs/dbraw/zinc/16/25/35/1017162535.db2.gz BKGRYSVRJSDLEY-OQPBUACISA-N -1 0 316.310 -0.524 20 0 DBADRM CSCC(=O)N(C)[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001380844396 992560340 /nfs/dbraw/zinc/56/03/40/992560340.db2.gz SNOJSEABCXYWBK-ZETCQYMHSA-N -1 0 317.371 -0.985 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)c1ccc3nnnn3c1)C2 ZINC001549306020 1015722107 /nfs/dbraw/zinc/72/21/07/1015722107.db2.gz NXJPUHYTYXTTAK-TVQRCGJNSA-N -1 0 303.278 -0.703 20 0 DBADRM CCC(=O)NCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001380926884 992596414 /nfs/dbraw/zinc/59/64/14/992596414.db2.gz QNRTZUYJKMAMIM-SNVBAGLBSA-N -1 0 324.385 -0.493 20 0 DBADRM CCOC(=O)C[C@@H](O)CN1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001596594782 1017162638 /nfs/dbraw/zinc/16/26/38/1017162638.db2.gz MNTNAGGFQQDRRB-RNCFNFMXSA-N -1 0 300.311 -0.394 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CCO)CN(C(=O)[C@H]3C[C@H]3C)C2)c1[O-] ZINC001380969781 992616043 /nfs/dbraw/zinc/61/60/43/992616043.db2.gz PFDKQUOUHLJENW-SCZZXKLOSA-N -1 0 322.365 -0.227 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001549305679 1015721491 /nfs/dbraw/zinc/72/14/91/1015721491.db2.gz KIGUKZQYNGRGSG-YWPYICTPSA-N -1 0 310.350 -0.053 20 0 DBADRM NC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)cc1 ZINC001549305498 1015722363 /nfs/dbraw/zinc/72/23/63/1015722363.db2.gz JMDQDMSIKCDVTI-ABAIWWIYSA-N -1 0 304.302 -0.041 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 ZINC001549305967 1015722648 /nfs/dbraw/zinc/72/26/48/1015722648.db2.gz NAESCLGYOKGNOR-XPTSAGLGSA-N -1 0 302.290 -0.098 20 0 DBADRM O=C(c1cccc(=O)[nH]1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001381079507 992655945 /nfs/dbraw/zinc/65/59/45/992655945.db2.gz OZOJIBXZJODHLJ-UHFFFAOYSA-N -1 0 304.310 -0.431 20 0 DBADRM CO[C@@H]1C[C@H](C(=O)N2CCCC2)N(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC001549378637 1015724321 /nfs/dbraw/zinc/72/43/21/1015724321.db2.gz KJNRIBUPOIVVMP-ZYHUDNBSSA-N -1 0 322.365 -0.022 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001596615937 1017162790 /nfs/dbraw/zinc/16/27/90/1017162790.db2.gz GWUZVXJVVZWQKR-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001596595602 1017162843 /nfs/dbraw/zinc/16/28/43/1017162843.db2.gz VCFYBLPGJJEHPG-TVQRCGJNSA-N -1 0 314.294 -0.868 20 0 DBADRM Cc1ccnn1CC(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381584724 992842216 /nfs/dbraw/zinc/84/22/16/992842216.db2.gz DCAFNIFODUKJJX-JTQLQIEISA-N -1 0 307.358 -0.348 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)c2cnnn2C)c1[O-] ZINC001381960650 992938327 /nfs/dbraw/zinc/93/83/27/992938327.db2.gz KSINBGSFXYTYJL-SSDOTTSWSA-N -1 0 321.341 -0.557 20 0 DBADRM CCOC(=O)CCCNC(=O)CN1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001596604100 1017162945 /nfs/dbraw/zinc/16/29/45/1017162945.db2.gz XYVUVDDNERKYKY-ZWNOBZJWSA-N -1 0 316.354 -0.644 20 0 DBADRM CC[C@H](F)C(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001382120751 992996561 /nfs/dbraw/zinc/99/65/61/992996561.db2.gz LXMVPKXLWYWWRT-RQJHMYQMSA-N -1 0 315.305 -0.392 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001596620493 1017162995 /nfs/dbraw/zinc/16/29/95/1017162995.db2.gz ZOMKJBPIERJMBG-UHFFFAOYSA-N -1 0 312.278 -0.223 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)Cc2ncc[nH]2)c1[O-] ZINC001382192805 993038071 /nfs/dbraw/zinc/03/80/71/993038071.db2.gz SBGCKGTYZNEUEK-QMMMGPOBSA-N -1 0 320.353 -0.034 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001596595600 1017163029 /nfs/dbraw/zinc/16/30/29/1017163029.db2.gz VCFYBLPGJJEHPG-RNCFNFMXSA-N -1 0 314.294 -0.868 20 0 DBADRM C[C@H](C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccco1 ZINC001382242038 993082906 /nfs/dbraw/zinc/08/29/06/993082906.db2.gz DECROGUIADAXDN-IUCAKERBSA-N -1 0 309.326 -0.526 20 0 DBADRM CC1(C)CC[C@@H](C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)C1 ZINC001382255713 993094647 /nfs/dbraw/zinc/09/46/47/993094647.db2.gz QODFSADKOYWPDB-NXEZZACHSA-N -1 0 311.386 -0.097 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001596615938 1017163192 /nfs/dbraw/zinc/16/31/92/1017163192.db2.gz GWUZVXJVVZWQKR-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM CS[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001382384452 993191577 /nfs/dbraw/zinc/19/15/77/993191577.db2.gz AGJMHKCWFGDQCP-JGVFFNPUSA-N -1 0 316.383 -0.618 20 0 DBADRM CS[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001382384457 993192471 /nfs/dbraw/zinc/19/24/71/993192471.db2.gz AGJMHKCWFGDQCP-SFYZADRCSA-N -1 0 316.383 -0.618 20 0 DBADRM CCOC(=O)CC[C@@H](C)NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001596600000 1017163440 /nfs/dbraw/zinc/16/34/40/1017163440.db2.gz HBWWBLUHMCTBNV-BBBLOLIVSA-N -1 0 314.338 -0.186 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)CCCF)c1[O-] ZINC001382397981 993208854 /nfs/dbraw/zinc/20/88/54/993208854.db2.gz VTJIZMMCIKRLNW-MRVPVSSYSA-N -1 0 302.306 -0.620 20 0 DBADRM CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)c1nnn(C)n1 ZINC001382497538 993324263 /nfs/dbraw/zinc/32/42/63/993324263.db2.gz UGOXFEZARYBWAL-UHFFFAOYSA-N -1 0 323.361 -0.984 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001382693892 993401352 /nfs/dbraw/zinc/40/13/52/993401352.db2.gz CYKXFVYZEBEWBW-APPZFPTMSA-N -1 0 309.326 -0.659 20 0 DBADRM C[C@@H](NC(=O)CC1CC1)[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001382714466 993405475 /nfs/dbraw/zinc/40/54/75/993405475.db2.gz VHBOZRLQFOSOCY-RNFRBKRXSA-N -1 0 309.326 -0.294 20 0 DBADRM CCC(=O)N1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001382709394 993405700 /nfs/dbraw/zinc/40/57/00/993405700.db2.gz WQJQSLMKQOGHAA-IUCAKERBSA-N -1 0 323.353 -0.269 20 0 DBADRM CCCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001382769454 993419123 /nfs/dbraw/zinc/41/91/23/993419123.db2.gz OEJRVBWIGIWZIU-HTQZYQBOSA-N -1 0 309.326 -0.198 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNC(=O)CCCF)c1[O-] ZINC001382965539 993472889 /nfs/dbraw/zinc/47/28/89/993472889.db2.gz NJIYCSFCWARLCF-SECBINFHSA-N -1 0 316.333 -0.277 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNC(=O)c2cnn(C)n2)c1[O-] ZINC001383042353 993507357 /nfs/dbraw/zinc/50/73/57/993507357.db2.gz NTANRNJEKSQCPB-ZETCQYMHSA-N -1 0 321.341 -0.557 20 0 DBADRM CCCC(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001383477886 993663325 /nfs/dbraw/zinc/66/33/25/993663325.db2.gz DKTIXXGQSPVAQQ-ZKCHVHJHSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC[C@H]1C ZINC001383483963 993664686 /nfs/dbraw/zinc/66/46/86/993664686.db2.gz CORVNTGLFATTAB-SCZZXKLOSA-N -1 0 323.353 -0.269 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)c1cnc3cccnn31)C2 ZINC001550344212 1015802210 /nfs/dbraw/zinc/80/22/10/1015802210.db2.gz FGBIKDKQNHHRBL-OTYXRUKQSA-N -1 0 302.290 -0.098 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)Cn1ncc3cccnc31)C2 ZINC001550344260 1015802946 /nfs/dbraw/zinc/80/29/46/1015802946.db2.gz GCEFGNVISIQKPA-ABAIWWIYSA-N -1 0 316.317 -0.009 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)c1cnc3nccn3c1)C2 ZINC001550345325 1015803056 /nfs/dbraw/zinc/80/30/56/1015803056.db2.gz JUUDZLGVUJFVND-YGRLFVJLSA-N -1 0 302.290 -0.098 20 0 DBADRM C[C@@H](CN(C)C(=O)Cc1nnc[nH]1)NC(=O)c1cnc[nH]c1=O ZINC001383845172 993762527 /nfs/dbraw/zinc/76/25/27/993762527.db2.gz FHIINKLMMJKORS-QMMMGPOBSA-N -1 0 319.325 -0.880 20 0 DBADRM CCO[C@@H](C(=O)N(CC(=O)[O-])CC(=O)OC)[C@@H]1CCOC1 ZINC001596760345 1017167044 /nfs/dbraw/zinc/16/70/44/1017167044.db2.gz AQLGITLLTKXYFK-BXKDBHETSA-N -1 0 303.311 -0.486 20 0 DBADRM CCOC(=O)c1ccc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])nc1 ZINC001596713956 1017167531 /nfs/dbraw/zinc/16/75/31/1017167531.db2.gz OFYNRXRJAGORHH-MWLCHTKSSA-N -1 0 308.290 -0.082 20 0 DBADRM CCC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001384169642 993978167 /nfs/dbraw/zinc/97/81/67/993978167.db2.gz FBSGEGSZANKFTJ-HTQZYQBOSA-N -1 0 309.326 -0.293 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)Cc1n[nH]c(=O)[n-]1 ZINC001492973317 1015832583 /nfs/dbraw/zinc/83/25/83/1015832583.db2.gz YBDKDNHTWJIWAG-NXEZZACHSA-N -1 0 319.369 -0.025 20 0 DBADRM CCO[C@H](CN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC001400378062 994099173 /nfs/dbraw/zinc/09/91/73/994099173.db2.gz SEGCTATZFQDYGO-SNVBAGLBSA-N -1 0 323.353 -0.488 20 0 DBADRM CCO[C@@H](CN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC001400378049 994099395 /nfs/dbraw/zinc/09/93/95/994099395.db2.gz SEGCTATZFQDYGO-JTQLQIEISA-N -1 0 323.353 -0.488 20 0 DBADRM CCN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C(F)F ZINC001492988649 1015835210 /nfs/dbraw/zinc/83/52/10/1015835210.db2.gz GMAGBAQQPXLUBN-UHFFFAOYSA-N -1 0 321.284 -0.691 20 0 DBADRM CCN(CCNC(=O)c1cn(C)nc1OC)Cc1n[nH]c(=O)[n-]1 ZINC001493002625 1015837534 /nfs/dbraw/zinc/83/75/34/1015837534.db2.gz WSMZXTSXVRUBDZ-UHFFFAOYSA-N -1 0 323.357 -0.496 20 0 DBADRM COC[C@H](C)[C@H](C)C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400464684 994163560 /nfs/dbraw/zinc/16/35/60/994163560.db2.gz JNAYHEVKFVHFMV-UWVGGRQHSA-N -1 0 311.386 -0.023 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)CN1CCCC[C@@H](OC)C1=O ZINC001552137992 1015842891 /nfs/dbraw/zinc/84/28/91/1015842891.db2.gz OSGXUEZCHVRJFM-SNVBAGLBSA-N -1 0 321.399 -0.673 20 0 DBADRM O=C(CCn1ccnn1)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001493098720 1015849851 /nfs/dbraw/zinc/84/98/51/1015849851.db2.gz WZVHRJBGFDVVFO-SNVBAGLBSA-N -1 0 320.357 -0.727 20 0 DBADRM CN(C[C@H]1CCN1C(=O)C(F)F)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001384892876 994305714 /nfs/dbraw/zinc/30/57/14/994305714.db2.gz IWZSPYMHLIOSRM-ZCFIWIBFSA-N -1 0 319.268 -0.986 20 0 DBADRM CCc1nc(CCNC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)no1 ZINC001552404626 1015857817 /nfs/dbraw/zinc/85/78/17/1015857817.db2.gz WGNYZNZXAJCWKY-LKFCYVNXSA-N -1 0 324.337 -0.083 20 0 DBADRM CCN1C[C@H](NC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)CC1=O ZINC001552396786 1015857835 /nfs/dbraw/zinc/85/78/35/1015857835.db2.gz BINVXKOAYHHHLK-IMSIIYSGSA-N -1 0 311.338 -0.650 20 0 DBADRM C[C@]1(CNC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)CCC(=O)N1 ZINC001552398904 1015857994 /nfs/dbraw/zinc/85/79/94/1015857994.db2.gz LQQHWVDAXFYJDH-FZQKWOKYSA-N -1 0 311.338 -0.602 20 0 DBADRM Cn1cnc(CCNC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)c1 ZINC001552397847 1015858026 /nfs/dbraw/zinc/85/80/26/1015858026.db2.gz GQEAZBQUWRTDBI-YGRLFVJLSA-N -1 0 308.338 -0.295 20 0 DBADRM Cc1cnn(CCNC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)c1 ZINC001552405352 1015858051 /nfs/dbraw/zinc/85/80/51/1015858051.db2.gz ZFIQQKNGKPBWCR-RISCZKNCSA-N -1 0 308.338 -0.066 20 0 DBADRM CC(C)NC(=O)CCNC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001552403256 1015858061 /nfs/dbraw/zinc/85/80/61/1015858061.db2.gz QOQNNWSSRJGFOW-IINYFYTJSA-N -1 0 313.354 -0.356 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@]2(O)CCN(C(=O)CC3CC3)C2)c1[O-] ZINC001401053508 994421169 /nfs/dbraw/zinc/42/11/69/994421169.db2.gz BZDIUHXQJOLXFR-HNNXBMFYSA-N -1 0 322.365 -0.083 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)[C@H](O)C(C)C)C2)c1[O-] ZINC001385301822 994443148 /nfs/dbraw/zinc/44/31/48/994443148.db2.gz DHAGBAJENHAFEM-MWLCHTKSSA-N -1 0 310.354 -0.229 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)N2CC(O)(C(=O)[O-])C2)n1C ZINC001596740077 1017169069 /nfs/dbraw/zinc/16/90/69/1017169069.db2.gz QXCCIZXLANYJHK-UHFFFAOYSA-N -1 0 312.282 -0.740 20 0 DBADRM Cn1cc(CC(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001493187111 1015864987 /nfs/dbraw/zinc/86/49/87/1015864987.db2.gz OMYNAPHAJYMNIC-SNVBAGLBSA-N -1 0 319.369 -0.575 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCCc1cncnc1)C2 ZINC001552655333 1015866624 /nfs/dbraw/zinc/86/66/24/1015866624.db2.gz RQBSYNTVKFRYED-FZMZJTMJSA-N -1 0 306.322 -0.238 20 0 DBADRM CCn1ncc(CNC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001552655537 1015866233 /nfs/dbraw/zinc/86/62/33/1015866233.db2.gz WBEAGZIGNUFHKY-RNCFNFMXSA-N -1 0 309.326 -0.459 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552779079 1015867034 /nfs/dbraw/zinc/86/70/34/1015867034.db2.gz LYQJHPLVNRKJST-YGRLFVJLSA-N -1 0 313.354 -0.403 20 0 DBADRM Cc1nnc(CC(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001493198719 1015867539 /nfs/dbraw/zinc/86/75/39/1015867539.db2.gz DOJNUQQDDFHAFQ-SECBINFHSA-N -1 0 321.341 -0.617 20 0 DBADRM CCCCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001385552577 994529487 /nfs/dbraw/zinc/52/94/87/994529487.db2.gz WXHXRCSEHLISFR-QMMMGPOBSA-N -1 0 309.326 -0.196 20 0 DBADRM CCO[C@@H]1C[C@](NC(=O)C2(NC(N)=O)CC2)(C(=O)[O-])C1(C)C ZINC001596814547 1017169751 /nfs/dbraw/zinc/16/97/51/1017169751.db2.gz ZSWNXHXRMCHWRH-CLAHSXSESA-N -1 0 313.354 -0.038 20 0 DBADRM CN(CCN(C)C(=O)CCc1cn[nH]c1)Cc1n[nH]c(=O)[n-]1 ZINC001401401579 994561841 /nfs/dbraw/zinc/56/18/41/994561841.db2.gz RHEXXSXZHIKCLP-UHFFFAOYSA-N -1 0 307.358 -0.244 20 0 DBADRM CC[C@H](C)C(=O)NC[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001385683192 994594808 /nfs/dbraw/zinc/59/48/08/994594808.db2.gz LOOLXPMPYNWEMK-CBAPKCEASA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1cc(CNC[C@H](O)CNC(=O)c2[nH]nc(C)c2[O-])no1 ZINC001401509880 994612590 /nfs/dbraw/zinc/61/25/90/994612590.db2.gz KMTILJGPBUZCQW-JTQLQIEISA-N -1 0 309.326 -0.399 20 0 DBADRM Cc1c(F)cccc1C(=O)NC[C@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001401514671 994615788 /nfs/dbraw/zinc/61/57/88/994615788.db2.gz VGJTUSACFLMUJR-SECBINFHSA-N -1 0 323.328 -0.162 20 0 DBADRM CC1(C(=O)N[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C2CC2)CC1 ZINC001385927448 994690767 /nfs/dbraw/zinc/69/07/67/994690767.db2.gz YBEBUAMFEVTIRF-QMMMGPOBSA-N -1 0 321.337 -0.293 20 0 DBADRM Cc1nc(CNC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001401660159 994737060 /nfs/dbraw/zinc/73/70/60/994737060.db2.gz GTGJWTYIAHQPIQ-SSDOTTSWSA-N -1 0 310.314 -0.720 20 0 DBADRM Cc1cc(CNC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001401720063 994781854 /nfs/dbraw/zinc/78/18/54/994781854.db2.gz UIQWBWVCMLRWRV-ZETCQYMHSA-N -1 0 310.314 -0.720 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C1CCC(O)CC1 ZINC001401746237 994796053 /nfs/dbraw/zinc/79/60/53/994796053.db2.gz IMXGQRGLRBPEQQ-WHXUTIOJSA-N -1 0 311.386 -0.002 20 0 DBADRM Cc1nc(CN(C)C[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001401802983 994817797 /nfs/dbraw/zinc/81/77/97/994817797.db2.gz RZDPZGLXSQTYOC-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM Cc1cnn(CC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)c1 ZINC001401876173 994836393 /nfs/dbraw/zinc/83/63/93/994836393.db2.gz WLPLVNGRMUETBB-SNVBAGLBSA-N -1 0 305.342 -0.594 20 0 DBADRM CCOCC(=O)N[C@H](C)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001386270608 994839266 /nfs/dbraw/zinc/83/92/66/994839266.db2.gz IQCCHPDQSMRSJS-SECBINFHSA-N -1 0 321.337 -0.706 20 0 DBADRM Cn1cncc1CCC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001401910257 994849640 /nfs/dbraw/zinc/84/96/40/994849640.db2.gz PXRKMDMOLDOTTG-NSHDSACASA-N -1 0 319.369 -0.433 20 0 DBADRM CCn1nc(C)c(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001401990248 994878639 /nfs/dbraw/zinc/87/86/39/994878639.db2.gz OFKGSSUKLSVCPR-UHFFFAOYSA-N -1 0 320.357 -0.518 20 0 DBADRM C[C@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001386367078 994879899 /nfs/dbraw/zinc/87/98/99/994879899.db2.gz ZOMUXYIPIAELNX-IWSPIJDZSA-N -1 0 323.353 -0.508 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1=CCCC1 ZINC001386406066 994888607 /nfs/dbraw/zinc/88/86/07/994888607.db2.gz WHBNFGWUXJHUTA-ZETCQYMHSA-N -1 0 307.310 -0.372 20 0 DBADRM CC(=O)NCCN1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC001402096592 994917612 /nfs/dbraw/zinc/91/76/12/994917612.db2.gz NFNOMLPLLSQWGM-UHFFFAOYSA-N -1 0 318.381 -0.724 20 0 DBADRM CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001386570922 994970129 /nfs/dbraw/zinc/97/01/29/994970129.db2.gz ODPHDZDEVVXMKW-DTWKUNHWSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@@H](CNC(=O)C(C)(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386608177 994980569 /nfs/dbraw/zinc/98/05/69/994980569.db2.gz ATHVKEIFFOUYPB-BYPYZUCNSA-N -1 0 305.241 -0.828 20 0 DBADRM CCO[C@@H]1[C@H](C)[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001596796330 1017170905 /nfs/dbraw/zinc/17/09/05/1017170905.db2.gz GIYOZIVLDJGENK-UTINFBMNSA-N -1 0 305.352 -0.632 20 0 DBADRM CCC(C)(C)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402274328 995030367 /nfs/dbraw/zinc/03/03/67/995030367.db2.gz WYIXZOBLPZVYPH-CQSZACIVSA-N -1 0 311.386 -0.001 20 0 DBADRM C[C@H](CNC(=O)C1=CCCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386715610 995045634 /nfs/dbraw/zinc/04/56/34/995045634.db2.gz FRXNHOAUXVMSMU-SSDOTTSWSA-N -1 0 307.310 -0.372 20 0 DBADRM C[C@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1(C)CC1 ZINC001386729996 995053071 /nfs/dbraw/zinc/05/30/71/995053071.db2.gz AOTHFKVYFSPZLQ-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1conc1CN1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001402317098 995072898 /nfs/dbraw/zinc/07/28/98/995072898.db2.gz BYROXPKVYMITTD-UHFFFAOYSA-N -1 0 321.337 -0.303 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H](C)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001386797397 995094649 /nfs/dbraw/zinc/09/46/49/995094649.db2.gz JOFKZQYGYAJSJB-IUCAKERBSA-N -1 0 321.337 -0.708 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H](C)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001386797395 995096164 /nfs/dbraw/zinc/09/61/64/995096164.db2.gz JOFKZQYGYAJSJB-BDAKNGLRSA-N -1 0 321.337 -0.708 20 0 DBADRM CC(C)C(=O)NCCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001386803231 995098231 /nfs/dbraw/zinc/09/82/31/995098231.db2.gz XEYQCKRJFKERIT-UHFFFAOYSA-N -1 0 305.338 -0.133 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)Nc3cn[nH]n3)cc2=O)n1 ZINC001556251322 1015917466 /nfs/dbraw/zinc/91/74/66/1015917466.db2.gz ALJYZPLUHZPBQD-UHFFFAOYSA-N -1 0 300.282 -0.057 20 0 DBADRM C[C@H](C(=O)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001402446881 995141994 /nfs/dbraw/zinc/14/19/94/995141994.db2.gz HQUSDRKLBDMPCA-BONVTDFDSA-N -1 0 323.397 -0.001 20 0 DBADRM Cc1cn(C)nc1C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001386875143 995149956 /nfs/dbraw/zinc/14/99/56/995149956.db2.gz PCTZLVUHESLZHE-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM CS[C@H](C)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001402511302 995170501 /nfs/dbraw/zinc/17/05/01/995170501.db2.gz ZRNDGUMVLZISPI-RKDXNWHRSA-N -1 0 315.399 -0.421 20 0 DBADRM CCC(CC)(NC(=O)CCCN1C(=O)CNC1=O)c1nnn[n-]1 ZINC001556495185 1015923436 /nfs/dbraw/zinc/92/34/36/1015923436.db2.gz VZIDQWQKKPPGAS-UHFFFAOYSA-N -1 0 323.357 -0.337 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1(CF)CC1 ZINC001386982006 995200289 /nfs/dbraw/zinc/20/02/89/995200289.db2.gz HEGQSFAJFVKMJP-ZCFIWIBFSA-N -1 0 313.289 -0.733 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387026629 995220762 /nfs/dbraw/zinc/22/07/62/995220762.db2.gz QQCLFLVUMZANCB-PHDIDXHHSA-N -1 0 301.278 -0.735 20 0 DBADRM CC(C)[C@@H](C)C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387170903 995280409 /nfs/dbraw/zinc/28/04/09/995280409.db2.gz XRSVWSMJDLYWPW-RKDXNWHRSA-N -1 0 313.358 -0.398 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001556736423 1015932122 /nfs/dbraw/zinc/93/21/22/1015932122.db2.gz FEYOMZIRYLTETK-UTUOFQBUSA-N -1 0 310.354 -0.519 20 0 DBADRM Cn1cnnc1CCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001556735477 1015932782 /nfs/dbraw/zinc/93/27/82/1015932782.db2.gz JOYOFLSOSGTQIM-UHFFFAOYSA-N -1 0 309.330 -0.653 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@@H]1CC12CC2 ZINC001387264340 995308069 /nfs/dbraw/zinc/30/80/69/995308069.db2.gz YNWNZTSUHHSEOR-VIFPVBQESA-N -1 0 323.353 -0.546 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N(CCNC(=O)C(F)F)C1CC1 ZINC001387453981 995355622 /nfs/dbraw/zinc/35/56/22/995355622.db2.gz QPDANZNQSVXUFX-UHFFFAOYSA-N -1 0 319.268 -0.938 20 0 DBADRM Cn1c2cc(O)c(NC(=O)CCc3nnn[n-]3)cc2n(C)c1=O ZINC001556869556 1015937735 /nfs/dbraw/zinc/93/77/35/1015937735.db2.gz KXUMIVKCFRIUNL-UHFFFAOYSA-N -1 0 317.309 -0.333 20 0 DBADRM CC(C)CC(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001387684400 995421914 /nfs/dbraw/zinc/42/19/14/995421914.db2.gz ASIHXLLAYJDJDM-UHFFFAOYSA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1nccn1C ZINC001403165779 995433094 /nfs/dbraw/zinc/43/30/94/995433094.db2.gz VERFPFZPBGQKKO-QMMMGPOBSA-N -1 0 321.341 -0.733 20 0 DBADRM C[C@@H](NC(=O)Cc1cc[nH]n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001403288228 995476497 /nfs/dbraw/zinc/47/64/97/995476497.db2.gz CJNIJXBACZKBOV-MRVPVSSYSA-N -1 0 305.342 -0.587 20 0 DBADRM COC[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001403474386 995537706 /nfs/dbraw/zinc/53/77/06/995537706.db2.gz GPSSYQKPFIHCPS-DBIOUOCHSA-N -1 0 309.370 -0.413 20 0 DBADRM CN(C(=O)c1cc[nH]n1)[C@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001403494800 995541348 /nfs/dbraw/zinc/54/13/48/995541348.db2.gz OLKBEXHVBOWSKC-SNVBAGLBSA-N -1 0 305.342 -0.126 20 0 DBADRM COC(=O)c1cccc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)n1 ZINC001557578580 1015952975 /nfs/dbraw/zinc/95/29/75/1015952975.db2.gz OMCUXARHMLIJHO-SSDOTTSWSA-N -1 0 306.278 -0.205 20 0 DBADRM CCCC(=O)NC[C@@H](CC)NC(=O)c1cnc([O-])n(C)c1=O ZINC001388002414 995569439 /nfs/dbraw/zinc/56/94/39/995569439.db2.gz XGOZJEAGLGPZMA-SECBINFHSA-N -1 0 310.354 -0.089 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CN(C)CC(=O)NC(C)C ZINC001596872000 1017172641 /nfs/dbraw/zinc/17/26/41/1017172641.db2.gz BZGHLFYFWPYODR-NSHDSACASA-N -1 0 317.386 -0.609 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NCc1nccs1 ZINC001403571655 995579410 /nfs/dbraw/zinc/57/94/10/995579410.db2.gz MAEPEBZJVUFWBY-SSDOTTSWSA-N -1 0 324.366 -0.010 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@@H](CC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388030996 995583355 /nfs/dbraw/zinc/58/33/55/995583355.db2.gz HVNJMJZHNOBCNT-RKDXNWHRSA-N -1 0 313.358 -0.254 20 0 DBADRM CCC(C)(C)C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388035508 995585406 /nfs/dbraw/zinc/58/54/06/995585406.db2.gz OLJZOAPRLOUUTM-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM Cc1cnc(CN[C@@H](C)CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001403621253 995601341 /nfs/dbraw/zinc/60/13/41/995601341.db2.gz FALIYQMPDIPXGY-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CCC1 ZINC001388131750 995614016 /nfs/dbraw/zinc/61/40/16/995614016.db2.gz KJPGFBGHHMSSJO-QMMMGPOBSA-N -1 0 309.326 -0.293 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1occ2c1CCC2 ZINC001403699976 995656953 /nfs/dbraw/zinc/65/69/53/995656953.db2.gz RARWIZQIIYGVLF-VIFPVBQESA-N -1 0 321.337 -0.528 20 0 DBADRM Cc1ccc(F)c(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001403715743 995668423 /nfs/dbraw/zinc/66/84/23/995668423.db2.gz ORFCSMCXOUVIKF-VIFPVBQESA-N -1 0 323.328 -0.162 20 0 DBADRM C[C@H](C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC001403728210 995675693 /nfs/dbraw/zinc/67/56/93/995675693.db2.gz OLKCMBILUYJAGD-JQWIXIFHSA-N -1 0 319.365 -0.119 20 0 DBADRM C[C@@H](C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC001403728213 995676119 /nfs/dbraw/zinc/67/61/19/995676119.db2.gz OLKCMBILUYJAGD-PWSUYJOCSA-N -1 0 319.365 -0.119 20 0 DBADRM CC(C)C(=O)NC[C@@H]1CCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001388478397 995700046 /nfs/dbraw/zinc/70/00/46/995700046.db2.gz DXAIQVHZQGLYMN-JTQLQIEISA-N -1 0 322.365 -0.137 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ncc(C)o1 ZINC001403940119 995782027 /nfs/dbraw/zinc/78/20/27/995782027.db2.gz NWYUTBPHYKCNGU-UHFFFAOYSA-N -1 0 324.341 -0.376 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)c2cnn(C)n2)c1[O-] ZINC001388994560 995796497 /nfs/dbraw/zinc/79/64/97/995796497.db2.gz UYXRZGWGSFGWGQ-UHFFFAOYSA-N -1 0 321.341 -0.604 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@]1(F)CCOC1 ZINC001404077020 995814424 /nfs/dbraw/zinc/81/44/24/995814424.db2.gz WOHZPZBMDLQTKS-NOZJJQNGSA-N -1 0 313.333 -0.423 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2cnn(C)c2)c1[O-] ZINC001389134510 995868338 /nfs/dbraw/zinc/86/83/38/995868338.db2.gz WIJYAANQTLFPRL-SSDOTTSWSA-N -1 0 306.326 -0.294 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)C2=COCCO2)c1[O-] ZINC001389137165 995869185 /nfs/dbraw/zinc/86/91/85/995869185.db2.gz LFAXLOSNOHPYGB-SSDOTTSWSA-N -1 0 310.310 -0.454 20 0 DBADRM CC[C@H](F)C(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001389425366 995977954 /nfs/dbraw/zinc/97/79/54/995977954.db2.gz JXZTWFPWNCPLHZ-JTQLQIEISA-N -1 0 314.365 -0.508 20 0 DBADRM O=C(CCCF)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001389422376 995977977 /nfs/dbraw/zinc/97/79/77/995977977.db2.gz GDAWOUWCCBHMQI-UHFFFAOYSA-N -1 0 314.365 -0.506 20 0 DBADRM CCC(=O)NC[C@@H]1CCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001389567499 996029136 /nfs/dbraw/zinc/02/91/36/996029136.db2.gz AMVLUSKMHPAOQD-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM CCO[C@H]1C[C@@](NC(=O)CCNC(=O)CO)(C(=O)[O-])C1(C)C ZINC001596819064 1017173565 /nfs/dbraw/zinc/17/35/65/1017173565.db2.gz ZZLJINGOUHMQSZ-LKFCYVNXSA-N -1 0 316.354 -0.740 20 0 DBADRM CCCC(=O)N1CC[C@@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001389730615 996081348 /nfs/dbraw/zinc/08/13/48/996081348.db2.gz WOTQPPGTLIYDSC-SECBINFHSA-N -1 0 323.353 -0.267 20 0 DBADRM CC(C)[C@H](C)C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001389988960 996157905 /nfs/dbraw/zinc/15/79/05/996157905.db2.gz NRNGLBXRQNEBBL-QMMMGPOBSA-N -1 0 323.353 -0.047 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](C)NS(=O)(=O)CC ZINC001596868418 1017173984 /nfs/dbraw/zinc/17/39/84/1017173984.db2.gz KLYWTJQPJNWNAM-BDAKNGLRSA-N -1 0 310.372 -0.738 20 0 DBADRM CCCC(=O)N[C@@]1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001390194797 996200517 /nfs/dbraw/zinc/20/05/17/996200517.db2.gz XYTOHAAXKAWERA-ZDUSSCGKSA-N -1 0 309.326 -0.196 20 0 DBADRM CC[C@H](CNC(=O)[C@@H](C)CC)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001390242505 996209976 /nfs/dbraw/zinc/20/99/76/996209976.db2.gz VNMWRPQLFGRFRV-JGVFFNPUSA-N -1 0 311.342 -0.047 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CN1CCC(CO)CC1 ZINC001596872760 1017175281 /nfs/dbraw/zinc/17/52/81/1017175281.db2.gz ORYSLVDELZOECH-LBPRGKRZSA-N -1 0 302.371 -0.361 20 0 DBADRM COC[C@@H](C)C(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001390731532 996351359 /nfs/dbraw/zinc/35/13/59/996351359.db2.gz MHRXAZUGMDWKPU-LLVKDONJSA-N -1 0 321.381 -0.147 20 0 DBADRM Cc1cc(=O)c(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)c[nH]1 ZINC001390842201 996391037 /nfs/dbraw/zinc/39/10/37/996391037.db2.gz GFWUOZQSCZQIJU-UHFFFAOYSA-N -1 0 306.326 -0.631 20 0 DBADRM CCN(CCNC(=O)Cc1nnc(C)o1)Cc1n[nH]c(=O)[n-]1 ZINC001390892161 996405618 /nfs/dbraw/zinc/40/56/18/996405618.db2.gz LRGXLZFUFBFJFT-UHFFFAOYSA-N -1 0 309.330 -0.617 20 0 DBADRM CCN(CCNC(=O)Cc1cnn(C)c1C)Cc1n[nH]c(=O)[n-]1 ZINC001390915262 996409481 /nfs/dbraw/zinc/40/94/81/996409481.db2.gz RVWCANICJIYMLC-UHFFFAOYSA-N -1 0 321.385 -0.267 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ocnc1C ZINC001390954942 996414293 /nfs/dbraw/zinc/41/42/93/996414293.db2.gz ZKNNOQKXMBDSCL-UHFFFAOYSA-N -1 0 322.325 -0.169 20 0 DBADRM CCN(CCNC(=O)c1ccnc(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001391025673 996425368 /nfs/dbraw/zinc/42/53/68/996425368.db2.gz QSBFUZJGHLIBRO-UHFFFAOYSA-N -1 0 305.342 -0.139 20 0 DBADRM CC[C@@H](OC)C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[nH]1 ZINC001391055354 996430814 /nfs/dbraw/zinc/43/08/14/996430814.db2.gz XYHIIEUKGVIEDF-GHMZBOCLSA-N -1 0 311.386 -0.386 20 0 DBADRM O=C(CCc1cn[nH]n1)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001391059764 996433033 /nfs/dbraw/zinc/43/30/33/996433033.db2.gz IGDMJTVVOAIWOV-SNVBAGLBSA-N -1 0 320.357 -0.658 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC001391226765 996496544 /nfs/dbraw/zinc/49/65/44/996496544.db2.gz ZGEJBBGDSZWHNU-CBAPKCEASA-N -1 0 323.353 -0.816 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)NCc2nnc3n2CCOC3)C1 ZINC001593790212 996506248 /nfs/dbraw/zinc/50/62/48/996506248.db2.gz TUBXCXDAVQFFDI-ZDUSSCGKSA-N -1 0 309.326 -0.186 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)/C=C\CN1CCOCC1 ZINC001596872150 1017175636 /nfs/dbraw/zinc/17/56/36/1017175636.db2.gz DPEHXMSTXKAZKP-QMAVJUDZSA-N -1 0 300.355 -0.177 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)C(=O)c1cc(C(=O)[O-])nn1C ZINC001596886693 1017175668 /nfs/dbraw/zinc/17/56/68/1017175668.db2.gz MKEXYWZZXQZEOB-JTQLQIEISA-N -1 0 313.310 -0.232 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391389152 996529158 /nfs/dbraw/zinc/52/91/58/996529158.db2.gz VTPZVUTWXRZECW-BDAKNGLRSA-N -1 0 310.358 -0.898 20 0 DBADRM CCOCC(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001391405578 996532945 /nfs/dbraw/zinc/53/29/45/996532945.db2.gz AJAPWBVFOGQSDX-UHFFFAOYSA-N -1 0 305.338 -0.641 20 0 DBADRM Cc1nccc(CCC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001391439877 996541146 /nfs/dbraw/zinc/54/11/46/996541146.db2.gz SNYXSLMNKCKJTJ-UHFFFAOYSA-N -1 0 317.353 -0.458 20 0 DBADRM O=C(NCC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1)C(F)F ZINC001391467426 996548487 /nfs/dbraw/zinc/54/84/87/996548487.db2.gz LEJYZNAWWNITFR-UHFFFAOYSA-N -1 0 311.292 -0.164 20 0 DBADRM CC(=O)NC[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(C)C ZINC001391523523 996565885 /nfs/dbraw/zinc/56/58/85/996565885.db2.gz PEXJGVBCCFXCEN-JTQLQIEISA-N -1 0 313.358 -0.254 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NCc1ncnn1C ZINC001391689509 996609732 /nfs/dbraw/zinc/60/97/32/996609732.db2.gz WEMDMAKXQLYXFO-VIFPVBQESA-N -1 0 307.358 -0.150 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)Cc2ncc[nH]2)c1[O-] ZINC001391807974 996636196 /nfs/dbraw/zinc/63/61/96/996636196.db2.gz VJAWJTGSFHXHED-UHFFFAOYSA-N -1 0 320.353 -0.080 20 0 DBADRM CC1(C)C[C@@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])C(C)(C)O1 ZINC001593855094 996639874 /nfs/dbraw/zinc/63/98/74/996639874.db2.gz VNIPTWKPDMUIHJ-JGVFFNPUSA-N -1 0 304.318 -0.012 20 0 DBADRM CC1(C)C[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])C(C)(C)O1 ZINC001593855095 996639890 /nfs/dbraw/zinc/63/98/90/996639890.db2.gz VNIPTWKPDMUIHJ-YUMQZZPRSA-N -1 0 304.318 -0.012 20 0 DBADRM COC[C@@H](C)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001391970968 996668050 /nfs/dbraw/zinc/66/80/50/996668050.db2.gz CVODHVQNQPDBSY-NXEZZACHSA-N -1 0 313.358 -0.890 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001593867984 996673477 /nfs/dbraw/zinc/67/34/77/996673477.db2.gz BMEAJIRBQGMERT-DTWKUNHWSA-N -1 0 308.338 -0.468 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001593867985 996673694 /nfs/dbraw/zinc/67/36/94/996673694.db2.gz BMEAJIRBQGMERT-IUCAKERBSA-N -1 0 308.338 -0.468 20 0 DBADRM CC1(C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001593869217 996676933 /nfs/dbraw/zinc/67/69/33/996676933.db2.gz VWYOQFFOGPQDNF-RFAUZJTJSA-N -1 0 323.349 -0.019 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1 ZINC001593869460 996677724 /nfs/dbraw/zinc/67/77/24/996677724.db2.gz YVJMGPPVRJOVMT-DTWKUNHWSA-N -1 0 308.338 -0.468 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ccon1 ZINC001392287128 996776710 /nfs/dbraw/zinc/77/67/10/996776710.db2.gz WVZOEYSKFPYEGG-UHFFFAOYSA-N -1 0 308.298 -0.525 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001596872754 1017176474 /nfs/dbraw/zinc/17/64/74/1017176474.db2.gz OMNNJZGKSRQQHW-WDEREUQCSA-N -1 0 302.327 -0.818 20 0 DBADRM CC(=O)NC1(CCO)CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001404497899 996797993 /nfs/dbraw/zinc/79/79/93/996797993.db2.gz YVTZUUSZXAQGHM-UHFFFAOYSA-N -1 0 320.305 -0.359 20 0 DBADRM C[C@@H](C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001392337241 996801601 /nfs/dbraw/zinc/80/16/01/996801601.db2.gz ZUJHUCAWLLVBTN-SNVBAGLBSA-N -1 0 321.385 -0.062 20 0 DBADRM CC(=O)N1CC([C@@H](C)NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001404662540 996837091 /nfs/dbraw/zinc/83/70/91/996837091.db2.gz PEZKBAQFKYEXSG-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM COCCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001404702167 996846677 /nfs/dbraw/zinc/84/66/77/996846677.db2.gz FAUKYWCTXHEJFK-RTCCRHLQSA-N -1 0 322.365 -0.106 20 0 DBADRM CC1(C)CN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1(C)C ZINC001593924593 996852290 /nfs/dbraw/zinc/85/22/90/996852290.db2.gz PKZAGEMCKUIAOQ-UWVGGRQHSA-N -1 0 312.366 -0.073 20 0 DBADRM COC[C@@H](O)CN1CC(NC(=O)CCc2c(C)nc[nH]c2=O)C1 ZINC001404798731 996869435 /nfs/dbraw/zinc/86/94/35/996869435.db2.gz XDKYMEJZHGADMG-LBPRGKRZSA-N -1 0 324.381 -0.769 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001404812121 996873972 /nfs/dbraw/zinc/87/39/72/996873972.db2.gz QCDZOEBPZGXQGJ-XKNYDFJKSA-N -1 0 323.353 -0.644 20 0 DBADRM CC1(C)CN(C(=O)CN2[C@H](C(=O)[O-])CCS2(=O)=O)CCO1 ZINC001593928693 996876099 /nfs/dbraw/zinc/87/60/99/996876099.db2.gz MPJDNUCDIPGREZ-VIFPVBQESA-N -1 0 320.367 -0.888 20 0 DBADRM CC1(C)CN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC[C@H]1O ZINC001593928938 996882622 /nfs/dbraw/zinc/88/26/22/996882622.db2.gz YOAASCSAZAGJIA-WDEREUQCSA-N -1 0 312.366 -0.071 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)Cn2nccn2)c1[O-] ZINC001405033937 996964542 /nfs/dbraw/zinc/96/45/42/996964542.db2.gz QZEFENSCTUITBF-QMMMGPOBSA-N -1 0 321.341 -0.708 20 0 DBADRM CC(C)(NS(=O)(=O)N1CCOC(C)(C)C1)[C@H](O)C(=O)[O-] ZINC001593944880 996982672 /nfs/dbraw/zinc/98/26/72/996982672.db2.gz KJGDOPZIQYKMLM-MRVPVSSYSA-N -1 0 310.372 -0.844 20 0 DBADRM C[C@H](CN(C)C(=O)c1cc[nH]c1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001405067794 996985874 /nfs/dbraw/zinc/98/58/74/996985874.db2.gz SKGVNACHPULVMT-MRVPVSSYSA-N -1 0 322.325 -0.706 20 0 DBADRM C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@]1(C)CCCOC1 ZINC001392521456 996994916 /nfs/dbraw/zinc/99/49/16/996994916.db2.gz UWVFTZRGAOKQAH-QMTHXVAHSA-N -1 0 311.386 -0.481 20 0 DBADRM C[C@@](CO)(NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC001593968995 997126216 /nfs/dbraw/zinc/12/62/16/997126216.db2.gz QWXRKEDOWHVODB-ZDUSSCGKSA-N -1 0 315.326 -0.951 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])O1 ZINC001593972516 997142713 /nfs/dbraw/zinc/14/27/13/997142713.db2.gz ATSRGWBQYXJFDL-KXUCPTDWSA-N -1 0 302.327 -0.073 20 0 DBADRM COc1ncc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001392705049 997155639 /nfs/dbraw/zinc/15/56/39/997155639.db2.gz IHYRHPITLGABSL-QMMMGPOBSA-N -1 0 321.341 -0.441 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1cnn(C)c1 ZINC001392733090 997177216 /nfs/dbraw/zinc/17/72/16/997177216.db2.gz WUMYHFFMKDFTDL-JTQLQIEISA-N -1 0 321.385 -0.187 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1CC(=O)N=[S@](C)(=O)N(C)C ZINC001599193867 997178243 /nfs/dbraw/zinc/17/82/43/997178243.db2.gz YPJDQQDEAQMZEI-GTJPDFRWSA-N -1 0 321.399 -0.347 20 0 DBADRM COC[C@]1(C(=O)OC)CCCN1CCC(=O)N(C)CC(=O)[O-] ZINC001599193983 997181140 /nfs/dbraw/zinc/18/11/40/997181140.db2.gz GJBNEBNNOIZBAI-AWEZNQCLSA-N -1 0 316.354 -0.427 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cccc2n[nH]nc21 ZINC001405345936 997214315 /nfs/dbraw/zinc/21/43/15/997214315.db2.gz OBMVMHIRBXSGNL-QXEWZRGKSA-N -1 0 317.349 -0.179 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001493975331 1016104800 /nfs/dbraw/zinc/10/48/00/1016104800.db2.gz IBJNLGUJGHKULP-MGCOHNPYSA-N -1 0 323.353 -0.721 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2CCNC(=O)C2CC2)c1[O-] ZINC001392837595 997255823 /nfs/dbraw/zinc/25/58/23/997255823.db2.gz JAMSWJOEDCHZMU-NSHDSACASA-N -1 0 321.381 -0.246 20 0 DBADRM Cn1ccnc1CCC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001392844448 997261399 /nfs/dbraw/zinc/26/13/99/997261399.db2.gz DRFYXKNMRCAAMY-JTQLQIEISA-N -1 0 319.369 -0.433 20 0 DBADRM O=C(CCc1cncnc1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001392912481 997320080 /nfs/dbraw/zinc/32/00/80/997320080.db2.gz CVXQMBFNCYWNHO-UHFFFAOYSA-N -1 0 317.353 -0.329 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNC(=O)CC2CC2)c1[O-] ZINC001405608859 997345011 /nfs/dbraw/zinc/34/50/11/997345011.db2.gz SZYJJYPSFJOSSN-SNVBAGLBSA-N -1 0 310.354 -0.227 20 0 DBADRM C[C@]1(NC(=O)[C@]2(F)CCOC2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393103821 997416607 /nfs/dbraw/zinc/41/66/07/997416607.db2.gz CDAIATOJXWYLGQ-STQMWFEESA-N -1 0 313.333 -0.281 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001406100648 997520596 /nfs/dbraw/zinc/52/05/96/997520596.db2.gz PJHWRTFCXAZBHQ-VIFPVBQESA-N -1 0 312.374 -0.685 20 0 DBADRM O=C(Cc1ccco1)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393282561 997534193 /nfs/dbraw/zinc/53/41/93/997534193.db2.gz SSKZEVBWNBHMKJ-CQSZACIVSA-N -1 0 321.337 -0.601 20 0 DBADRM O=C(Cc1ccco1)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393282559 997534256 /nfs/dbraw/zinc/53/42/56/997534256.db2.gz SSKZEVBWNBHMKJ-AWEZNQCLSA-N -1 0 321.337 -0.601 20 0 DBADRM CC(=O)N1CC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](C)C1 ZINC001406199865 997563693 /nfs/dbraw/zinc/56/36/93/997563693.db2.gz JZNRKLRJVBNNIK-PSASIEDQSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1ccncc1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393305806 997564835 /nfs/dbraw/zinc/56/48/35/997564835.db2.gz ROZIVDZQCOBHEN-UHFFFAOYSA-N -1 0 318.337 -0.810 20 0 DBADRM Cc1cnccc1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393307776 997565800 /nfs/dbraw/zinc/56/58/00/997565800.db2.gz YSUHWHLNYHUTMB-UHFFFAOYSA-N -1 0 318.337 -0.810 20 0 DBADRM Cn1[nH]c(CNC2(CNC(=O)C3=COCCC3)CCC2)nc1=O ZINC001393533379 997716417 /nfs/dbraw/zinc/71/64/17/997716417.db2.gz GRIQISWACHYQCZ-UHFFFAOYSA-N -1 0 321.381 -0.069 20 0 DBADRM CN(CCCN(C)C(=O)CN1CCCC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001393597940 997761067 /nfs/dbraw/zinc/76/10/67/997761067.db2.gz HPDFDSSOFNRFBE-UHFFFAOYSA-N -1 0 324.385 -0.587 20 0 DBADRM CN(CCCN(C)C(=O)Cn1cncn1)Cc1n[nH]c(=O)[n-]1 ZINC001393645803 997789218 /nfs/dbraw/zinc/78/92/18/997789218.db2.gz UXKRPBCKLCJCCN-UHFFFAOYSA-N -1 0 308.346 -0.918 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)Cc2nnnn2C)c1[O-] ZINC001406605046 997829943 /nfs/dbraw/zinc/82/99/43/997829943.db2.gz DSFBIJITWJMIPN-ZETCQYMHSA-N -1 0 308.346 -0.802 20 0 DBADRM Cc1cc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cnn1 ZINC001406610256 997832214 /nfs/dbraw/zinc/83/22/14/997832214.db2.gz MZDNVBQKOKQIFJ-VIFPVBQESA-N -1 0 305.342 -0.141 20 0 DBADRM Cc1cc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cnn1 ZINC001406610249 997833471 /nfs/dbraw/zinc/83/34/71/997833471.db2.gz MZDNVBQKOKQIFJ-SECBINFHSA-N -1 0 305.342 -0.141 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001406643089 997844618 /nfs/dbraw/zinc/84/46/18/997844618.db2.gz FPCZZUJFSKEKQJ-ZETCQYMHSA-N -1 0 321.341 -0.435 20 0 DBADRM Cc1noc(CCC(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001406645856 997844851 /nfs/dbraw/zinc/84/48/51/997844851.db2.gz KHRZUSMHQDZEOU-MRVPVSSYSA-N -1 0 323.357 -0.229 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cccc(=O)n1C ZINC001406651336 997847049 /nfs/dbraw/zinc/84/70/49/997847049.db2.gz FFKIBRVIJJWZFO-SECBINFHSA-N -1 0 320.353 -0.541 20 0 DBADRM O=C(CCCn1cccn1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001406910902 997932990 /nfs/dbraw/zinc/93/29/90/997932990.db2.gz SGNFCTGPQAUFJH-NSHDSACASA-N -1 0 319.369 -0.122 20 0 DBADRM Cc1c(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001394038161 997935341 /nfs/dbraw/zinc/93/53/41/997935341.db2.gz QGKMRVZGIANYMD-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM CCOCCOCC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001596934658 1017180300 /nfs/dbraw/zinc/18/03/00/1017180300.db2.gz FSJNKDMZRXHAEW-ZDUSSCGKSA-N -1 0 300.311 -0.129 20 0 DBADRM CCn1ncc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001394065807 997955433 /nfs/dbraw/zinc/95/54/33/997955433.db2.gz MPCQMJGPRLAYAS-MRVPVSSYSA-N -1 0 308.346 -0.628 20 0 DBADRM COCCN(CCF)C(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001599236444 997955630 /nfs/dbraw/zinc/95/56/30/997955630.db2.gz HQRCLKDBTQHZSK-ZDUSSCGKSA-N -1 0 320.317 -0.867 20 0 DBADRM COCCN(CCF)C(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001599236616 997957231 /nfs/dbraw/zinc/95/72/31/997957231.db2.gz NCEOBCSRDANMGL-SNVBAGLBSA-N -1 0 302.302 -0.280 20 0 DBADRM COc1cccnc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001406990560 997967387 /nfs/dbraw/zinc/96/73/87/997967387.db2.gz DZQRIVPJPOPRAQ-UHFFFAOYSA-N -1 0 318.337 -0.034 20 0 DBADRM CCOCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001596939729 1017180808 /nfs/dbraw/zinc/18/08/08/1017180808.db2.gz SCLPNOIGHAGWGO-RKDXNWHRSA-N -1 0 309.340 -0.842 20 0 DBADRM COC[C@H](OC)C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001394106287 997984924 /nfs/dbraw/zinc/98/49/24/997984924.db2.gz BKWDBXBWJTWAQY-IUCAKERBSA-N -1 0 301.347 -0.892 20 0 DBADRM COC[C@@H](O)CN1CC(N(C)C(=O)c2c(C)nc[nH]c2=O)C1 ZINC001407058286 997992258 /nfs/dbraw/zinc/99/22/58/997992258.db2.gz OJOGZFYWOFDNNJ-NSHDSACASA-N -1 0 310.354 -0.746 20 0 DBADRM Cc1cc(CN(C)[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001394129814 997993938 /nfs/dbraw/zinc/99/39/38/997993938.db2.gz GIHIFFQYTKAEQH-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCCC(=O)N1C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001394132333 997995042 /nfs/dbraw/zinc/99/50/42/997995042.db2.gz NLHYGQBZZNUPAH-ZJUUUORDSA-N -1 0 324.385 -0.542 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)CC1=O ZINC001599239452 998009437 /nfs/dbraw/zinc/00/94/37/998009437.db2.gz DDMOQFHTTBXMEP-JNIYBQFBSA-N -1 0 310.350 -0.149 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@@](C)(CCF)C(=O)[O-])CC1=O ZINC001599239624 998013883 /nfs/dbraw/zinc/01/38/83/998013883.db2.gz GXKVFZKCSLZFHI-ZANVPECISA-N -1 0 304.318 -0.200 20 0 DBADRM COCCN1C[C@H](C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)CC1=O ZINC001599239837 998017230 /nfs/dbraw/zinc/01/72/30/998017230.db2.gz KMMOKLHOLWJIOO-GMTAPVOTSA-N -1 0 314.338 -0.818 20 0 DBADRM CC(C)[C@@H](C)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001394158933 998019346 /nfs/dbraw/zinc/01/93/46/998019346.db2.gz QQJUHAAJKQZXAO-SNVBAGLBSA-N -1 0 311.386 -0.145 20 0 DBADRM CC(C)[C@@H](O)C(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001407130598 998032238 /nfs/dbraw/zinc/03/22/38/998032238.db2.gz VAUSNQWITKPPEH-LLVKDONJSA-N -1 0 311.386 -0.002 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407165747 998048745 /nfs/dbraw/zinc/04/87/45/998048745.db2.gz KOHPANFBABVZPZ-NOZJJQNGSA-N -1 0 313.358 -0.748 20 0 DBADRM CCOCCOC[C@@H](O)CNC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001596933916 1017180770 /nfs/dbraw/zinc/18/07/70/1017180770.db2.gz FFIOVQZIKZNISP-FNBIGBAISA-N -1 0 301.339 -0.229 20 0 DBADRM C[C@H](C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001407183091 998057984 /nfs/dbraw/zinc/05/79/84/998057984.db2.gz UXQSYVDVFDQSKS-NOZJJQNGSA-N -1 0 320.357 -0.556 20 0 DBADRM CC[C@H](F)CN1CC([C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001394260485 998066102 /nfs/dbraw/zinc/06/61/02/998066102.db2.gz TUBWTFHUTVBMQK-SCZZXKLOSA-N -1 0 315.349 -0.126 20 0 DBADRM Cc1nonc1CC(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407205894 998069914 /nfs/dbraw/zinc/06/99/14/998069914.db2.gz XMZYUWRTPXLRRY-CYBMUJFWSA-N -1 0 321.341 -0.475 20 0 DBADRM CC1(C)CC[C@H]1C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407361702 998134012 /nfs/dbraw/zinc/13/40/12/998134012.db2.gz HYUBZPUCOBOACI-BONVTDFDSA-N -1 0 323.397 -0.001 20 0 DBADRM C[C@H]1CCC[C@]1(C)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407421143 998188473 /nfs/dbraw/zinc/18/84/73/998188473.db2.gz AMPSKOQVDBFGOP-HZMBPMFUSA-N -1 0 323.397 -0.001 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NCc1nnc(S(C)(=O)=O)s1 ZINC001599150405 998286014 /nfs/dbraw/zinc/28/60/14/998286014.db2.gz KGKACUUXSFKKPK-JTQLQIEISA-N -1 0 323.396 -0.089 20 0 DBADRM C[C@@H](CC(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)n1cccc1 ZINC001394640348 998329964 /nfs/dbraw/zinc/32/99/64/998329964.db2.gz BRGKGHXFVHSOIP-WDEREUQCSA-N -1 0 322.369 -0.470 20 0 DBADRM O=C(NC[C@H]1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)O1)C(F)F ZINC001407975192 998441561 /nfs/dbraw/zinc/44/15/61/998441561.db2.gz LCJACVXCPDPXIN-SSDOTTSWSA-N -1 0 317.296 -0.375 20 0 DBADRM Cc1ccc(C(=O)N(C)C[C@@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)o1 ZINC001394770566 998478087 /nfs/dbraw/zinc/47/80/87/998478087.db2.gz QSBNQIMGTYYULQ-JTQLQIEISA-N -1 0 323.353 -0.023 20 0 DBADRM C[C@H](CNC(=O)C1CC(C)C1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001408129059 998510279 /nfs/dbraw/zinc/51/02/79/998510279.db2.gz PBEXTDISNJPOOK-HWOCKDDLSA-N -1 0 322.365 -0.234 20 0 DBADRM COCCN(CCNC(=O)c1cc(C)n[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001394826440 998516490 /nfs/dbraw/zinc/51/64/90/998516490.db2.gz CSHMRFIUBYLCDB-UHFFFAOYSA-N -1 0 323.357 -0.580 20 0 DBADRM CC(F)(F)C(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001408258113 998576575 /nfs/dbraw/zinc/57/65/75/998576575.db2.gz XNNQGAWYVJDDLJ-UHFFFAOYSA-N -1 0 319.312 -0.391 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CC1(C)CC1 ZINC001408263811 998578013 /nfs/dbraw/zinc/57/80/13/998578013.db2.gz QETRHJSAHVLIPR-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)Cn2cccn2)c1[O-] ZINC001395062631 998591350 /nfs/dbraw/zinc/59/13/50/998591350.db2.gz GYJCGUZXMWWGRU-SECBINFHSA-N -1 0 320.353 -0.103 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)[C@H]1CC1(C)C ZINC001395144835 998617773 /nfs/dbraw/zinc/61/77/73/998617773.db2.gz RKONKWGSQXNFNG-JGVFFNPUSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)Cn2cncn2)c1[O-] ZINC001395177202 998627134 /nfs/dbraw/zinc/62/71/34/998627134.db2.gz KPIBHEIMFNRWJK-MRVPVSSYSA-N -1 0 321.341 -0.708 20 0 DBADRM C[C@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001408487897 998639746 /nfs/dbraw/zinc/63/97/46/998639746.db2.gz MWKZJZUJYWRTCU-YIZRAAEISA-N -1 0 311.342 -0.644 20 0 DBADRM C[C@H](CCNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001408491648 998641310 /nfs/dbraw/zinc/64/13/10/998641310.db2.gz LAPGEWUBFJKHQQ-AEJSXWLSSA-N -1 0 322.365 -0.234 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2COCCO2)c1[O-] ZINC001395456862 998670278 /nfs/dbraw/zinc/67/02/78/998670278.db2.gz QUFSLDKSNWSNKT-UWVGGRQHSA-N -1 0 324.337 -0.830 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(F)F ZINC001395633603 998697322 /nfs/dbraw/zinc/69/73/22/998697322.db2.gz XZKOWJHPEBBIFL-SCSAIBSYSA-N -1 0 305.241 -0.875 20 0 DBADRM CC(C)C(=O)NC[C@H](CO)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001395688151 998714694 /nfs/dbraw/zinc/71/46/94/998714694.db2.gz KNTXSXBDUSNPGG-MRVPVSSYSA-N -1 0 322.321 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC001395718555 998738337 /nfs/dbraw/zinc/73/83/37/998738337.db2.gz CRFPCOSRLSUIDB-VPOLOUISSA-N -1 0 322.365 -0.323 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)C2(CF)CC2)c1[O-] ZINC001395718529 998738700 /nfs/dbraw/zinc/73/87/00/998738700.db2.gz CIWIREFNSKGMII-MRVPVSSYSA-N -1 0 314.317 -0.620 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@H](C)C(C)C)c1[O-] ZINC001395816807 998788115 /nfs/dbraw/zinc/78/81/15/998788115.db2.gz ZWSANPQLMISYBE-SCZZXKLOSA-N -1 0 312.370 -0.077 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@@H](C)C(C)C)c1[O-] ZINC001395816812 998788413 /nfs/dbraw/zinc/78/84/13/998788413.db2.gz ZWSANPQLMISYBE-WCBMZHEXSA-N -1 0 312.370 -0.077 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2cnc[nH]c2=O)C1 ZINC001395866775 998796943 /nfs/dbraw/zinc/79/69/43/998796943.db2.gz HPJJJWCWPJJKJJ-SCZZXKLOSA-N -1 0 321.337 -0.963 20 0 DBADRM CO[C@@H](C)C(=O)N(C)C[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001396000305 998814254 /nfs/dbraw/zinc/81/42/54/998814254.db2.gz LOMGQIWVVXLPLP-DTWKUNHWSA-N -1 0 314.342 -0.992 20 0 DBADRM CCC(=O)N(C)C[C@H]1CCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001396459867 998866381 /nfs/dbraw/zinc/86/63/81/998866381.db2.gz JOLGUDWZMGJIIC-SECBINFHSA-N -1 0 323.353 -0.315 20 0 DBADRM O=C(CC1CC1)NC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001396961678 998932018 /nfs/dbraw/zinc/93/20/18/998932018.db2.gz HTTJWXNQKOPBAA-JTQLQIEISA-N -1 0 323.353 -0.500 20 0 DBADRM CCCC(=O)N[C@H]1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001397249253 999001807 /nfs/dbraw/zinc/00/18/07/999001807.db2.gz ZGKYDYKRKIVAQF-DTORHVGOSA-N -1 0 323.353 -0.221 20 0 DBADRM C[C@H](CNC(=O)c1ccccc1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397362460 999021680 /nfs/dbraw/zinc/02/16/80/999021680.db2.gz JOFJVGMZXSJIHM-MRVPVSSYSA-N -1 0 317.305 -0.169 20 0 DBADRM C[C@H](CNC(=O)c1ccco1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001397372463 999024280 /nfs/dbraw/zinc/02/42/80/999024280.db2.gz ZLYSIYXAJJFMEW-MRVPVSSYSA-N -1 0 320.305 -0.373 20 0 DBADRM C[C@@H](CNC(=O)c1ccoc1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001397375766 999024929 /nfs/dbraw/zinc/02/49/29/999024929.db2.gz NGRRWNFBRKPMPL-QMMMGPOBSA-N -1 0 320.305 -0.373 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CC(C)(C)C ZINC001397514051 999068697 /nfs/dbraw/zinc/06/86/97/999068697.db2.gz GHLGGPZSAKUVCT-QMMMGPOBSA-N -1 0 313.358 -0.254 20 0 DBADRM CC(C)[C@H](C)C(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397513148 999069138 /nfs/dbraw/zinc/06/91/38/999069138.db2.gz FLBIOMUJCMJZGA-BDAKNGLRSA-N -1 0 313.358 -0.398 20 0 DBADRM CC1(C(=O)NC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001397698782 999113979 /nfs/dbraw/zinc/11/39/79/999113979.db2.gz LYHGOELCCYDWTO-SECBINFHSA-N -1 0 323.353 -0.546 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@@H](C)NC(=O)c2cnn(C)n2)c1[O-] ZINC001397768808 999127475 /nfs/dbraw/zinc/12/74/75/999127475.db2.gz UPBKOXRXQUVTLQ-SSDOTTSWSA-N -1 0 321.341 -0.509 20 0 DBADRM O=C(CCn1cccn1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001398294137 999241526 /nfs/dbraw/zinc/24/15/26/999241526.db2.gz UGTALMRQSAZGEZ-SNVBAGLBSA-N -1 0 305.342 -0.512 20 0 DBADRM CC1(C(=O)NCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C2CC2)CC1 ZINC001398345440 999254053 /nfs/dbraw/zinc/25/40/53/999254053.db2.gz ZKHGVHPLTVZDFO-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@H](C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC001494526067 1016305406 /nfs/dbraw/zinc/30/54/06/1016305406.db2.gz MZQMZZQKJZROGA-SECBINFHSA-N -1 0 305.342 -0.484 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001398761847 999353295 /nfs/dbraw/zinc/35/32/95/999353295.db2.gz XRCBOWVONWSWAH-QMMMGPOBSA-N -1 0 323.353 -0.863 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001399064420 999403839 /nfs/dbraw/zinc/40/38/39/999403839.db2.gz YHKJGEJCMLDCLD-YIZRAAEISA-N -1 0 311.342 -0.644 20 0 DBADRM CC[C@@H](CNC(=O)C(C)(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001399081125 999405894 /nfs/dbraw/zinc/40/58/94/999405894.db2.gz HMFREXSHKZHABM-QMMMGPOBSA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1nc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)c(C)o1 ZINC001399500138 999437708 /nfs/dbraw/zinc/43/77/08/999437708.db2.gz GAGLVHXWXVSQGQ-UHFFFAOYSA-N -1 0 322.325 -0.251 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001399654479 999458203 /nfs/dbraw/zinc/45/82/03/999458203.db2.gz IMKDBWPCYPLIOT-JGVFFNPUSA-N -1 0 309.326 -0.531 20 0 DBADRM CN(CCNC(=O)c1cc(C(N)=O)cs1)Cc1n[nH]c(=O)[n-]1 ZINC001399659775 999459080 /nfs/dbraw/zinc/45/90/80/999459080.db2.gz QNJBGAZRLNKZHO-UHFFFAOYSA-N -1 0 324.366 -0.468 20 0 DBADRM Cc1cncn1CC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001399856048 999506186 /nfs/dbraw/zinc/50/61/86/999506186.db2.gz FYEVCAZDGXKIIO-NSHDSACASA-N -1 0 319.369 -0.204 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H](C)C1CCC1 ZINC001399999939 999540841 /nfs/dbraw/zinc/54/08/41/999540841.db2.gz IWUFQAMGEXKZSE-SFYZADRCSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001400203264 999583316 /nfs/dbraw/zinc/58/33/16/999583316.db2.gz HIMMMYNPGVYJHZ-CNUIFLNQSA-N -1 0 321.337 -0.437 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN([C@@H](C)C(=O)NCC(C)C)C2)c1[O-] ZINC001400327164 999606932 /nfs/dbraw/zinc/60/69/32/999606932.db2.gz CVZSHHFLGCBHDI-JTQLQIEISA-N -1 0 323.397 -0.002 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)NCC1(C(=O)[O-])CC1 ZINC001597224769 1017190433 /nfs/dbraw/zinc/19/04/33/1017190433.db2.gz GGRDQOKDENJCNW-UHFFFAOYSA-N -1 0 307.372 -0.520 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001597216041 1017190500 /nfs/dbraw/zinc/19/05/00/1017190500.db2.gz QDCYQXKCGUVHLD-GFCCVEGCSA-N -1 0 322.383 -0.592 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@H]2C(=O)[O-])C1 ZINC001597219233 1017190548 /nfs/dbraw/zinc/19/05/48/1017190548.db2.gz KPXGAYONVVFIQM-ZJUUUORDSA-N -1 0 304.368 -0.266 20 0 DBADRM CCS(=O)(=O)CCN1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001597209558 1017188743 /nfs/dbraw/zinc/18/87/43/1017188743.db2.gz KXBJXFZNOVCYSQ-BDAKNGLRSA-N -1 0 318.351 -0.452 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001597207672 1017189013 /nfs/dbraw/zinc/18/90/13/1017189013.db2.gz KHVZEILPKULSKO-QMMMGPOBSA-N -1 0 315.351 -0.033 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597221041 1017191250 /nfs/dbraw/zinc/19/12/50/1017191250.db2.gz FYLLGCNGFKFGKS-DCAQKATOSA-N -1 0 318.395 -0.115 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N(C)[C@H](COC(C)C)C(=O)[O-] ZINC001597224183 1017191694 /nfs/dbraw/zinc/19/16/94/1017191694.db2.gz NCAGPIVHGJKWGJ-VHSXEESVSA-N -1 0 324.399 -0.349 20 0 DBADRM CCS(=O)(=O)NCC(=O)OCc1cnc(C(=O)[O-])cn1 ZINC001597224622 1017190793 /nfs/dbraw/zinc/19/07/93/1017190793.db2.gz FOMLHNFIYUDUHI-UHFFFAOYSA-N -1 0 303.296 -0.843 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC001597224604 1017191054 /nfs/dbraw/zinc/19/10/54/1017191054.db2.gz ZDWULZYZQSSQNN-KXUCPTDWSA-N -1 0 322.383 -0.595 20 0 DBADRM O=C(COCC1CC1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001494643395 1016360747 /nfs/dbraw/zinc/36/07/47/1016360747.db2.gz OPISJRSDPBDJOO-QWRGUYRKSA-N -1 0 307.354 -0.278 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)c1cc(C(=O)[O-])no1 ZINC001597224859 1017193508 /nfs/dbraw/zinc/19/35/08/1017193508.db2.gz FGPLOOXVKSTYHC-UHFFFAOYSA-N -1 0 305.312 -0.568 20 0 DBADRM CC[S@@](=O)CCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001597248980 1017193715 /nfs/dbraw/zinc/19/37/15/1017193715.db2.gz DSTLBXIWQIFERP-BHIGOGECSA-N -1 0 318.395 -0.112 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC001597225223 1017193789 /nfs/dbraw/zinc/19/37/89/1017193789.db2.gz OFQFDEGOWDJCBN-QXEWZRGKSA-N -1 0 304.368 -0.363 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001597216039 1017191747 /nfs/dbraw/zinc/19/17/47/1017191747.db2.gz PSPJAZZAVUYPCV-WDEREUQCSA-N -1 0 318.395 -0.163 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC001597224815 1017193980 /nfs/dbraw/zinc/19/39/80/1017193980.db2.gz HBOUNBMSVRIJCX-VIFPVBQESA-N -1 0 306.365 -0.071 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001591035718 1016374846 /nfs/dbraw/zinc/37/48/46/1016374846.db2.gz GIMQXYFHQBLYQS-SECBINFHSA-N -1 0 318.355 -0.369 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@@H]2CCN(C)C2=O)c1[O-] ZINC001494678612 1016376257 /nfs/dbraw/zinc/37/62/57/1016376257.db2.gz MAHFKUABLODOCK-CBAPKCEASA-N -1 0 323.353 -0.863 20 0 DBADRM CC[C@@H]1OCC[C@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001597303870 1017196789 /nfs/dbraw/zinc/19/67/89/1017196789.db2.gz QQVTUZYHASADGY-KEPMVKOISA-N -1 0 319.379 -0.194 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001591036034 1016377627 /nfs/dbraw/zinc/37/76/27/1016377627.db2.gz OWPMROLIWDMWDJ-CABZTGNLSA-N -1 0 322.383 -0.832 20 0 DBADRM CC(C)[C@H]1CCN1C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001591091928 1016385788 /nfs/dbraw/zinc/38/57/88/1016385788.db2.gz BABVSMCVAYPQSJ-SNVBAGLBSA-N -1 0 313.354 -0.660 20 0 DBADRM CN(CC1(CO)CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591053297 1016380258 /nfs/dbraw/zinc/38/02/58/1016380258.db2.gz OHHMMQSNKQZZFT-UHFFFAOYSA-N -1 0 313.339 -0.147 20 0 DBADRM CCc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n(C)n1 ZINC001597428178 1017198701 /nfs/dbraw/zinc/19/87/01/1017198701.db2.gz VTBXWNTVFCVWHF-SNVBAGLBSA-N -1 0 315.351 -0.694 20 0 DBADRM CN(CC1CC1)c1nnc(Cn2cnc(-c3nnn[n-]3)n2)n1C ZINC001591053579 1016383218 /nfs/dbraw/zinc/38/32/18/1016383218.db2.gz OGONIPJPVTUTTM-UHFFFAOYSA-N -1 0 315.345 -0.519 20 0 DBADRM CCc1csc(NC(=O)C(=O)NCCOCC(=O)[O-])n1 ZINC001597638434 1017201748 /nfs/dbraw/zinc/20/17/48/1017201748.db2.gz AJGYMPWDYXIOLQ-UHFFFAOYSA-N -1 0 301.324 -0.139 20 0 DBADRM CC(C)C[C@H](C(N)=O)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001591124176 1016390761 /nfs/dbraw/zinc/39/07/61/1016390761.db2.gz HGOVMZYFBONYFR-SECBINFHSA-N -1 0 309.326 -0.493 20 0 DBADRM CC(C)C[C@H](C(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001591124238 1016393772 /nfs/dbraw/zinc/39/37/72/1016393772.db2.gz JYULUBSLIXNDFC-XHNCKOQMSA-N -1 0 301.343 -0.772 20 0 DBADRM CN(Cc1nncn1C)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001591154176 1016394715 /nfs/dbraw/zinc/39/47/15/1016394715.db2.gz SMUBEKDKXHIWLG-UHFFFAOYSA-N -1 0 301.314 -0.754 20 0 DBADRM C[C@H]1CC[C@H](C(=O)NCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001408567847 1000229225 /nfs/dbraw/zinc/22/92/25/1000229225.db2.gz JPYKRJSGBZRIAA-IUCAKERBSA-N -1 0 323.353 -0.093 20 0 DBADRM CN(c1cccc(-c2nn[nH]n2)c1)S(=O)(=O)N1CCOCC1 ZINC001591158831 1016395836 /nfs/dbraw/zinc/39/58/36/1016395836.db2.gz WRJLOEAPCAGFQA-UHFFFAOYSA-N -1 0 324.366 -0.120 20 0 DBADRM CC(C)C[C@H](CNC(=O)[C@H](CO)NC(=O)C(C)C)C(=O)[O-] ZINC001591153555 1016396183 /nfs/dbraw/zinc/39/61/83/1016396183.db2.gz BWEFOXKAPDVNFJ-MNOVXSKESA-N -1 0 302.371 -0.017 20 0 DBADRM CN(CCNC(=O)c1cc[nH]c1)C(=O)c1cnc([O-])n(C)c1=O ZINC001408590666 1000237156 /nfs/dbraw/zinc/23/71/56/1000237156.db2.gz BVWGNKDPVJGDRB-UHFFFAOYSA-N -1 0 319.321 -0.684 20 0 DBADRM CN(CCNC(=O)C1(C)CCC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001408649354 1000259979 /nfs/dbraw/zinc/25/99/79/1000259979.db2.gz BLSLPVBXFSLWBO-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CCn1cc(CC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001420875299 1000276148 /nfs/dbraw/zinc/27/61/48/1000276148.db2.gz OUTPVNIMODKUKC-NSHDSACASA-N -1 0 319.369 -0.340 20 0 DBADRM CCN(CCNC(=O)CC1CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001408707682 1000278031 /nfs/dbraw/zinc/27/80/31/1000278031.db2.gz QOEOLVYXPFZWCL-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM O=C(CC[C@H]1CC[C@@H](C2OCCO2)O1)NCc1nc(=O)o[n-]1 ZINC001420896629 1000284159 /nfs/dbraw/zinc/28/41/59/1000284159.db2.gz OGLFKJSTQYUPAW-BDAKNGLRSA-N -1 0 313.310 -0.320 20 0 DBADRM CC(=O)NCC(=O)NC[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001408808781 1000300790 /nfs/dbraw/zinc/30/07/90/1000300790.db2.gz ZGIOHIQAQQGHHV-JTQLQIEISA-N -1 0 323.353 -0.719 20 0 DBADRM C[C@@](O)(CC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1)C1CC1 ZINC001420949276 1000307237 /nfs/dbraw/zinc/30/72/37/1000307237.db2.gz WTVQQROLGIYIPT-CYBMUJFWSA-N -1 0 309.370 -0.200 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N(CCNC(=O)C1CC1)C1CC1 ZINC001408891442 1000313831 /nfs/dbraw/zinc/31/38/31/1000313831.db2.gz VWJMQABCFCPVND-UHFFFAOYSA-N -1 0 309.326 -0.794 20 0 DBADRM CS(=O)(=O)C1CCC(CNC(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC001421012614 1000329838 /nfs/dbraw/zinc/32/98/38/1000329838.db2.gz DETKOPFQKNKNJS-UHFFFAOYSA-N -1 0 302.356 -0.157 20 0 DBADRM CCC[C@H](C)C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001409038841 1000337692 /nfs/dbraw/zinc/33/76/92/1000337692.db2.gz JQDPQEFKTZCWKT-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)[C@H]1COCCO1)C(=O)[O-] ZINC001591172028 1016405514 /nfs/dbraw/zinc/40/55/14/1016405514.db2.gz WQRRWAYRFQXPOL-VHSXEESVSA-N -1 0 303.311 -0.440 20 0 DBADRM CC(C)[C@H](F)C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001409093050 1000362020 /nfs/dbraw/zinc/36/20/20/1000362020.db2.gz RDTTZXQFJWFUAZ-VIFPVBQESA-N -1 0 315.305 -0.990 20 0 DBADRM CCC[C@@H](C)C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001409130971 1000376027 /nfs/dbraw/zinc/37/60/27/1000376027.db2.gz YZMRBRJLITYSHG-MRVPVSSYSA-N -1 0 323.353 -0.093 20 0 DBADRM CC[C@@H](CNC(=O)CC(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001409224848 1000402817 /nfs/dbraw/zinc/40/28/17/1000402817.db2.gz MMMHSAVELXUSBK-VIFPVBQESA-N -1 0 313.358 -0.254 20 0 DBADRM C[C@@]1(NC(=O)C[C@@H]2CCNC2=O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421207808 1000407704 /nfs/dbraw/zinc/40/77/04/1000407704.db2.gz WCXQROXTCBERCJ-LKFCYVNXSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccco1 ZINC001421335738 1000447777 /nfs/dbraw/zinc/44/77/77/1000447777.db2.gz ZLAKUTOAOFLEBC-ZDUSSCGKSA-N -1 0 307.310 -0.530 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H](F)CC ZINC001409400612 1000448616 /nfs/dbraw/zinc/44/86/16/1000448616.db2.gz QBAHNBBYDNONHJ-HTQZYQBOSA-N -1 0 317.321 -0.552 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421345540 1000456533 /nfs/dbraw/zinc/45/65/33/1000456533.db2.gz CMAQMUGPXTZSBJ-LKFCYVNXSA-N -1 0 309.370 -0.391 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)[C@@H](C)c2nnnn2C)c1[O-] ZINC001409539177 1000469679 /nfs/dbraw/zinc/46/96/79/1000469679.db2.gz GRRYRVCGWAEEST-CBAPKCEASA-N -1 0 322.373 -0.241 20 0 DBADRM CN1CCN(CC(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001591193835 1016417860 /nfs/dbraw/zinc/41/78/60/1016417860.db2.gz YCTSLCRPGPWRQQ-UHFFFAOYSA-N -1 0 317.353 -0.476 20 0 DBADRM C[C@H](CNC(=O)c1n[n-]c2ccccc2c1=O)N(C)CC(N)=O ZINC001409626890 1000490217 /nfs/dbraw/zinc/49/02/17/1000490217.db2.gz OBZZBONBHRVDCX-SECBINFHSA-N -1 0 317.349 -0.129 20 0 DBADRM CC[C@@H](SC)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421426564 1000502143 /nfs/dbraw/zinc/50/21/43/1000502143.db2.gz PAMYODVAERHJAJ-MRVPVSSYSA-N -1 0 315.399 -0.685 20 0 DBADRM CNC(=O)[C@H]1CCCCN1Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001421612526 1000565815 /nfs/dbraw/zinc/56/58/15/1000565815.db2.gz GZNCAOYFLOLHHZ-SECBINFHSA-N -1 0 305.342 -0.900 20 0 DBADRM CC(=O)N[C@H]1CCC[C@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001410022262 1000575984 /nfs/dbraw/zinc/57/59/84/1000575984.db2.gz BGGFPYGLBOOGKS-UWVGGRQHSA-N -1 0 323.353 -0.364 20 0 DBADRM CNC(=O)[C@@H](CO)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001591199287 1016424408 /nfs/dbraw/zinc/42/44/08/1016424408.db2.gz JBUMERMITJDXAZ-GSVOUGTGSA-N -1 0 303.735 -0.505 20 0 DBADRM O=C(CCCF)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001421714852 1000601607 /nfs/dbraw/zinc/60/16/07/1000601607.db2.gz WHHJHINKLZRRFO-SECBINFHSA-N -1 0 301.322 -0.423 20 0 DBADRM CC(=O)NC[C@H](O)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001410079369 1000604224 /nfs/dbraw/zinc/60/42/24/1000604224.db2.gz WKVKIQGZKGXVBQ-ZETCQYMHSA-N -1 0 313.276 -0.943 20 0 DBADRM CC(F)(F)CC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001421795993 1000627881 /nfs/dbraw/zinc/62/78/81/1000627881.db2.gz APHPQMFQNOTTQZ-MRVPVSSYSA-N -1 0 319.312 -0.127 20 0 DBADRM CN(CCCN(C)C(=O)c1cn(C)c(=O)[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001421870084 1000652468 /nfs/dbraw/zinc/65/24/68/1000652468.db2.gz ZMVBOQXSDPXWCS-UHFFFAOYSA-N -1 0 323.357 -0.457 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)CCn2cncn2)c1[O-] ZINC001410319133 1000719167 /nfs/dbraw/zinc/71/91/67/1000719167.db2.gz GYQMYWNUMCEPGT-QMMMGPOBSA-N -1 0 321.341 -0.660 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@H]2CCNC(=O)C2)c1[O-] ZINC001410350308 1000732424 /nfs/dbraw/zinc/73/24/24/1000732424.db2.gz XVNXYKYTBPMXJX-CBAPKCEASA-N -1 0 323.353 -0.816 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Cc1cccnc1 ZINC001422179946 1000753496 /nfs/dbraw/zinc/75/34/96/1000753496.db2.gz VTNBGEJNGMUZSH-UHFFFAOYSA-N -1 0 318.337 -0.118 20 0 DBADRM O=C(NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CC12CC2 ZINC001422189209 1000757649 /nfs/dbraw/zinc/75/76/49/1000757649.db2.gz OENZHNPBFMQMGT-SNVBAGLBSA-N -1 0 321.381 -0.247 20 0 DBADRM CC(C)CCC(=O)NCC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001591212568 1016434169 /nfs/dbraw/zinc/43/41/69/1016434169.db2.gz ZSNSJNLKTCTJNH-MFKMUULPSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001422230434 1000772692 /nfs/dbraw/zinc/77/26/92/1000772692.db2.gz NRMBOQWHCIXEQI-NXEZZACHSA-N -1 0 324.385 -0.555 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]2CN(C)[C@H](C)C(N)=O)c1[O-] ZINC001422230106 1000774478 /nfs/dbraw/zinc/77/44/78/1000774478.db2.gz GBJNBGFKEWZXLQ-NXEZZACHSA-N -1 0 309.370 -0.166 20 0 DBADRM CC(C)(C)[C@@H]1CNC(=O)CN1Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001422312198 1000819509 /nfs/dbraw/zinc/81/95/09/1000819509.db2.gz SOLMFENSOPWZLZ-VIFPVBQESA-N -1 0 319.369 -0.654 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2ccc(F)cn2)c1[O-] ZINC001410587255 1000820225 /nfs/dbraw/zinc/82/02/25/1000820225.db2.gz HEYMSWPLQAKGDY-LLVKDONJSA-N -1 0 323.328 -0.162 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2nccnc2C)c1[O-] ZINC001410602297 1000826775 /nfs/dbraw/zinc/82/67/75/1000826775.db2.gz VTHVSKIDRSTBTQ-JTQLQIEISA-N -1 0 320.353 -0.597 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001410609382 1000829101 /nfs/dbraw/zinc/82/91/01/1000829101.db2.gz LHJIFUXZEJYWLK-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001591238169 1016447779 /nfs/dbraw/zinc/44/77/79/1016447779.db2.gz ZJLIHCWCLNOAJQ-JTQLQIEISA-N -1 0 319.325 -0.593 20 0 DBADRM C[C@@H](CC(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccco1 ZINC001410760477 1000891222 /nfs/dbraw/zinc/89/12/22/1000891222.db2.gz YQVKPQUEXZEVLI-VHSXEESVSA-N -1 0 323.353 -0.136 20 0 DBADRM C[C@H](CNC(=O)c1cnn2c1CCC2)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422522432 1000894239 /nfs/dbraw/zinc/89/42/39/1000894239.db2.gz VWRGAQAPXBJRFL-SECBINFHSA-N -1 0 319.369 -0.097 20 0 DBADRM Cc1ncoc1CN(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001422531718 1000896943 /nfs/dbraw/zinc/89/69/43/1000896943.db2.gz UPTOTHSKMTVZLF-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM C[C@@H](CNC(=O)COCC(F)F)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422540731 1000901069 /nfs/dbraw/zinc/90/10/69/1000901069.db2.gz RYPJAICHNNUBTR-ZETCQYMHSA-N -1 0 307.301 -0.272 20 0 DBADRM C[C@@H](CNC(=O)CCCn1cncn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422577820 1000918235 /nfs/dbraw/zinc/91/82/35/1000918235.db2.gz DXBPSKYHKDALJX-JTQLQIEISA-N -1 0 322.373 -0.481 20 0 DBADRM COc1ncc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001422584295 1000920516 /nfs/dbraw/zinc/92/05/16/1000920516.db2.gz MJTOYXDMDKURBO-QMMMGPOBSA-N -1 0 321.341 -0.441 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccc(F)s1 ZINC001410823874 1000923154 /nfs/dbraw/zinc/92/31/54/1000923154.db2.gz RITGHYFUKZKBJX-LURJTMIESA-N -1 0 315.330 -0.409 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccco1 ZINC001422600969 1000928943 /nfs/dbraw/zinc/92/89/43/1000928943.db2.gz OUFMPYOHLLMEJS-UHFFFAOYSA-N -1 0 307.310 -0.530 20 0 DBADRM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001422661799 1000963146 /nfs/dbraw/zinc/96/31/46/1000963146.db2.gz YYWFRZAZDCZWPD-QWRGUYRKSA-N -1 0 323.397 -0.145 20 0 DBADRM CC(C)[C@H]1C[C@H]1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001422661792 1000964501 /nfs/dbraw/zinc/96/45/01/1000964501.db2.gz YYWFRZAZDCZWPD-GHMZBOCLSA-N -1 0 323.397 -0.145 20 0 DBADRM CCc1nncn1CCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001597741680 1017205714 /nfs/dbraw/zinc/20/57/14/1017205714.db2.gz OVPWQOKZNKECJF-UHFFFAOYSA-N -1 0 314.327 -0.760 20 0 DBADRM CCc1nnc(SCC(=O)N[C@H](C(=O)[O-])C(C)C)n1N ZINC001597736442 1017205733 /nfs/dbraw/zinc/20/57/33/1017205733.db2.gz XCNJEHWORLOOEP-VIFPVBQESA-N -1 0 301.372 -0.128 20 0 DBADRM CC(=O)N[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)C1CCCC1 ZINC001410979138 1000979218 /nfs/dbraw/zinc/97/92/18/1000979218.db2.gz YWGQKTNUVIFZCX-GFCCVEGCSA-N -1 0 322.365 -0.089 20 0 DBADRM O=C(Cc1ccon1)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001422805189 1001016810 /nfs/dbraw/zinc/01/68/10/1001016810.db2.gz HRNCTZYBSNPJBP-RTCCRHLQSA-N -1 0 318.337 -0.465 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)CCCC(N)=O ZINC001422814230 1001020002 /nfs/dbraw/zinc/02/00/02/1001020002.db2.gz OPNNYBKFAKGVSH-VIFPVBQESA-N -1 0 324.385 -0.508 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001422824959 1001022666 /nfs/dbraw/zinc/02/26/66/1001022666.db2.gz MMLQVFPTDGMFCY-DTWKUNHWSA-N -1 0 310.358 -0.885 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@](O)(CNC(=O)C(F)F)C2)c1[O-] ZINC001411149196 1001041063 /nfs/dbraw/zinc/04/10/63/1001041063.db2.gz LQYAPECLRXEMCO-GFCCVEGCSA-N -1 0 318.280 -0.618 20 0 DBADRM C[C@@H](C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001422945621 1001068890 /nfs/dbraw/zinc/06/88/90/1001068890.db2.gz NDFCEUVDWWRTHH-VHSXEESVSA-N -1 0 321.385 -0.016 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H](C)c1cnn(C)c1 ZINC001422945614 1001068938 /nfs/dbraw/zinc/06/89/38/1001068938.db2.gz NDFCEUVDWWRTHH-NXEZZACHSA-N -1 0 321.385 -0.016 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NC(=O)Cn2cccn2)c1[O-] ZINC001411346769 1001102301 /nfs/dbraw/zinc/10/23/01/1001102301.db2.gz BOSUICNKHMCGRD-RKDXNWHRSA-N -1 0 320.353 -0.057 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1ccc[nH]c1=O ZINC001411503852 1001141492 /nfs/dbraw/zinc/14/14/92/1001141492.db2.gz RXCMWRBKULOKJN-UHFFFAOYSA-N -1 0 300.278 -0.512 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)Cn2ccnc2)c1[O-] ZINC001411540553 1001154749 /nfs/dbraw/zinc/15/47/49/1001154749.db2.gz FFUNJHNAHBCCQF-SECBINFHSA-N -1 0 320.353 -0.103 20 0 DBADRM COC(C)(C)[C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591317413 1016473249 /nfs/dbraw/zinc/47/32/49/1016473249.db2.gz ZVFUYLBAGMGSQD-ZCFIWIBFSA-N -1 0 309.330 -0.109 20 0 DBADRM COC(=O)[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)C[C@@H](C)O1 ZINC001591278499 1016468883 /nfs/dbraw/zinc/46/88/83/1016468883.db2.gz USSFLTGNOGYJMG-SFYZADRCSA-N -1 0 305.298 -0.577 20 0 DBADRM CC/C=C(\C)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001494890320 1016469196 /nfs/dbraw/zinc/46/91/96/1016469196.db2.gz DQCGLVNKVBACFE-IVGLGHLBSA-N -1 0 309.326 -0.126 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCN(C(=O)c2ccco2)CC1 ZINC001411613832 1001177039 /nfs/dbraw/zinc/17/70/39/1001177039.db2.gz XBOBLGIHPICVJK-UHFFFAOYSA-N -1 0 304.310 -0.290 20 0 DBADRM CN(CC(=O)NC(C)(C)C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001411615717 1001177395 /nfs/dbraw/zinc/17/73/95/1001177395.db2.gz RYYIUMYIVJGQOJ-UHFFFAOYSA-N -1 0 313.358 -0.157 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2ncc(C)cn2)c1[O-] ZINC001423218021 1001181214 /nfs/dbraw/zinc/18/12/14/1001181214.db2.gz MEOXDIQIDULIRB-SNVBAGLBSA-N -1 0 320.353 -0.597 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001411644012 1001187782 /nfs/dbraw/zinc/18/77/82/1001187782.db2.gz SGXCKFFEELEYQI-MRVPVSSYSA-N -1 0 307.314 -0.776 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C1CC(F)(F)C1 ZINC001423226474 1001188973 /nfs/dbraw/zinc/18/89/73/1001188973.db2.gz XJQDZWJIBIPWDY-SSDOTTSWSA-N -1 0 305.285 -0.878 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2CCC(=O)O2)c1 ZINC001591286526 1016470236 /nfs/dbraw/zinc/47/02/36/1016470236.db2.gz JBWPSZHIPLSVGP-QMMMGPOBSA-N -1 0 319.277 -0.479 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2ccno2)c1 ZINC001591285703 1016470773 /nfs/dbraw/zinc/47/07/73/1016470773.db2.gz MVPRLPRMDPELAN-UHFFFAOYSA-N -1 0 302.250 -0.149 20 0 DBADRM O=C(CCn1ccnc1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001423245592 1001201929 /nfs/dbraw/zinc/20/19/29/1001201929.db2.gz MDALQODEJSTZNL-UHFFFAOYSA-N -1 0 305.342 -0.465 20 0 DBADRM CC1(C)CCC[C@@H]1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001423264083 1001216982 /nfs/dbraw/zinc/21/69/82/1001216982.db2.gz SKJQNSLMAWSZTC-NXEZZACHSA-N -1 0 311.386 -0.097 20 0 DBADRM CC(C)CN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001591303465 1016475167 /nfs/dbraw/zinc/47/51/67/1016475167.db2.gz ZDBYDWYQDRORGT-NSHDSACASA-N -1 0 308.400 -0.311 20 0 DBADRM CN(C)[C@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)c1cncn1C ZINC001411772196 1001221678 /nfs/dbraw/zinc/22/16/78/1001221678.db2.gz HFFRSINETNMQNP-MNOVXSKESA-N -1 0 320.357 -0.864 20 0 DBADRM O=C([C@H]1CCn2ccnc2C1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001411778703 1001223366 /nfs/dbraw/zinc/22/33/66/1001223366.db2.gz POJREZDLPLBMLU-UWVGGRQHSA-N -1 0 303.326 -0.441 20 0 DBADRM COc1cnc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c(F)c1 ZINC001411782677 1001226222 /nfs/dbraw/zinc/22/62/22/1001226222.db2.gz VEJXYDODHPXKKZ-VIFPVBQESA-N -1 0 308.273 -0.044 20 0 DBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1CS(=O)(=O)C1 ZINC001411790083 1001227326 /nfs/dbraw/zinc/22/73/26/1001227326.db2.gz YIDDJGVZUIUYMN-UHFFFAOYSA-N -1 0 324.362 -0.287 20 0 DBADRM COC(=O)c1cnc(Cn2cnc(-c3nnn[n-]3)cc2=O)cn1 ZINC001591306160 1016476278 /nfs/dbraw/zinc/47/62/78/1016476278.db2.gz YUURVQDVWKNWNB-UHFFFAOYSA-N -1 0 314.265 -0.952 20 0 DBADRM COC1(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CCC1 ZINC001591341608 1016480880 /nfs/dbraw/zinc/48/08/80/1016480880.db2.gz LYTGRNMVJCCUAE-MRVPVSSYSA-N -1 0 306.330 -0.296 20 0 DBADRM CSC[C@@](C)(O)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001411820614 1001233026 /nfs/dbraw/zinc/23/30/26/1001233026.db2.gz CULJUDWQRDJOCM-ZDUSSCGKSA-N -1 0 322.394 -0.081 20 0 DBADRM COCC[C@@](C)(O)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001411834672 1001234324 /nfs/dbraw/zinc/23/43/24/1001234324.db2.gz JKFQFBVLOLBUQO-GFCCVEGCSA-N -1 0 302.331 -0.627 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c1[O-] ZINC001411851871 1001238375 /nfs/dbraw/zinc/23/83/75/1001238375.db2.gz RKYIAGCZHLFTMJ-UHFFFAOYSA-N -1 0 304.310 -0.354 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCS[C@@H]2COCC[C@@H]21 ZINC001411909782 1001246923 /nfs/dbraw/zinc/24/69/23/1001246923.db2.gz CTRMZTBGALXSCK-JGVFFNPUSA-N -1 0 300.340 -0.578 20 0 DBADRM CC(=O)NCC(=O)N[C@H](C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001411912527 1001248078 /nfs/dbraw/zinc/24/80/78/1001248078.db2.gz YUWPVOYJYGUPLY-SSDOTTSWSA-N -1 0 323.353 -0.863 20 0 DBADRM O=C(C[C@@H]1CCCS1(=O)=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001411939454 1001258135 /nfs/dbraw/zinc/25/81/35/1001258135.db2.gz REUWVLQOJKRWCV-ZJUUUORDSA-N -1 0 313.383 -0.127 20 0 DBADRM CN(C)[C@]1(C(=O)NCc2nc(=O)o[n-]2)COc2ccccc2C1 ZINC001411952998 1001260999 /nfs/dbraw/zinc/26/09/99/1001260999.db2.gz NWFWOYIJCCMXQJ-HNNXBMFYSA-N -1 0 318.333 -0.085 20 0 DBADRM O=C(CCCc1nnn[n-]1)NC[C@H]1COC2(CCOCC2)O1 ZINC001411970561 1001266162 /nfs/dbraw/zinc/26/61/62/1001266162.db2.gz OJEFWRDRCUKDDV-JTQLQIEISA-N -1 0 311.342 -0.439 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@@H]1O ZINC001411989180 1001271334 /nfs/dbraw/zinc/27/13/34/1001271334.db2.gz KPYKNICLTYYZEC-PELKAZGASA-N -1 0 314.363 -0.118 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCOC[C@H]1[C@H]1CCCC1=O ZINC001412015604 1001279379 /nfs/dbraw/zinc/27/93/79/1001279379.db2.gz AIKVOVACSBTCGN-SFYZADRCSA-N -1 0 322.321 -0.320 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC001412015597 1001279592 /nfs/dbraw/zinc/27/95/92/1001279592.db2.gz AIKVOVACSBTCGN-JGVFFNPUSA-N -1 0 322.321 -0.320 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOC[C@H]1[C@@H]1CCCC1=O ZINC001412022755 1001280531 /nfs/dbraw/zinc/28/05/31/1001280531.db2.gz TYUOEPXAAOREBN-IUCAKERBSA-N -1 0 310.310 -0.714 20 0 DBADRM CCO[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@H]1CCOC1 ZINC001412028510 1001281568 /nfs/dbraw/zinc/28/15/68/1001281568.db2.gz MVSPTDOPEHFTIT-GXSJLCMTSA-N -1 0 322.383 -0.990 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)Nc1cn[nH]n1 ZINC001412027202 1001282416 /nfs/dbraw/zinc/28/24/16/1001282416.db2.gz AUMMNRZISZRKFQ-UHFFFAOYSA-N -1 0 317.277 0.000 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cccnc1-c1nnn[n-]1)C1CC1 ZINC001591331354 1016483729 /nfs/dbraw/zinc/48/37/29/1016483729.db2.gz TYMASOTYHFTFQD-VIFPVBQESA-N -1 0 324.366 -0.035 20 0 DBADRM Cn1cccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c1=O ZINC001412054224 1001289478 /nfs/dbraw/zinc/28/94/78/1001289478.db2.gz CMGPFNPIPAZJRT-UHFFFAOYSA-N -1 0 304.310 -0.978 20 0 DBADRM C[C@]1(C(N)=O)CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001412066826 1001293553 /nfs/dbraw/zinc/29/35/53/1001293553.db2.gz GTUUUDFGELNPNZ-AWEZNQCLSA-N -1 0 315.337 -0.588 20 0 DBADRM O=C(C[C@@H]1CCCS(=O)(=O)C1)NCCc1nc(=O)o[n-]1 ZINC001412081132 1001295995 /nfs/dbraw/zinc/29/59/95/1001295995.db2.gz YJRGDJQYJHOBRG-QMMMGPOBSA-N -1 0 303.340 -0.764 20 0 DBADRM NC(=O)[C@H](O)CNC(=O)c1cccc(Br)c1[O-] ZINC001412088753 1001298559 /nfs/dbraw/zinc/29/85/59/1001298559.db2.gz FDGRFTAVRIEOSY-SSDOTTSWSA-N -1 0 303.112 -0.269 20 0 DBADRM COC(=O)C1(NC(=O)CSc2n[nH]c(=O)[n-]2)CCOCC1 ZINC001412121446 1001305917 /nfs/dbraw/zinc/30/59/17/1001305917.db2.gz CRRRDYPQFNRULX-UHFFFAOYSA-N -1 0 316.339 -0.559 20 0 DBADRM Cn1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1=O ZINC001412122942 1001307126 /nfs/dbraw/zinc/30/71/26/1001307126.db2.gz GWXDASQSILIEKC-UHFFFAOYSA-N -1 0 300.278 -0.591 20 0 DBADRM CO[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001591357851 1016486558 /nfs/dbraw/zinc/48/65/58/1016486558.db2.gz IZFJVOISJBLHLT-JGVFFNPUSA-N -1 0 321.341 -0.743 20 0 DBADRM COc1cccc([S@](=O)C=C(O)Nn2c(=O)[n-][nH]c2=O)c1 ZINC001412178787 1001325129 /nfs/dbraw/zinc/32/51/29/1001325129.db2.gz GSBYUSJEYZLJBI-OAQYLSRUSA-N -1 0 312.307 -0.424 20 0 DBADRM CO[C@@]1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCSC1 ZINC001591337038 1016481919 /nfs/dbraw/zinc/48/19/19/1016481919.db2.gz ZJHMHZIJDDXJOP-NSHDSACASA-N -1 0 324.370 -0.904 20 0 DBADRM CO[C@@H]1CC[C@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001591349719 1016486676 /nfs/dbraw/zinc/48/66/76/1016486676.db2.gz BSWBPYVCOUQKCB-JGVFFNPUSA-N -1 0 321.341 -0.757 20 0 DBADRM CCn1cncc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1=O ZINC001412228393 1001339339 /nfs/dbraw/zinc/33/93/39/1001339339.db2.gz LJQWKDCKJZOGMF-UHFFFAOYSA-N -1 0 315.293 -0.714 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCO1 ZINC001412232330 1001341126 /nfs/dbraw/zinc/34/11/26/1001341126.db2.gz XCOTZRHZFYLYIP-GMSGAONNSA-N -1 0 320.305 -0.342 20 0 DBADRM CN(C(=O)Cn1ccc(Br)cc1=O)c1nnn[n-]1 ZINC001412233522 1001343013 /nfs/dbraw/zinc/34/30/13/1001343013.db2.gz RAXWPFUTSKGJJE-UHFFFAOYSA-N -1 0 313.115 -0.213 20 0 DBADRM COC1(c2cnnn2C)CN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001591346455 1016482873 /nfs/dbraw/zinc/48/28/73/1016482873.db2.gz JXQCLFVTQZENFH-UHFFFAOYSA-N -1 0 314.313 -0.853 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H](CO)[C@H]1CCCOC1 ZINC001412246774 1001346365 /nfs/dbraw/zinc/34/63/65/1001346365.db2.gz IKVRCHYKOPGHCH-VHSXEESVSA-N -1 0 314.342 -0.627 20 0 DBADRM CO[C@](C)(CO)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412304819 1001362894 /nfs/dbraw/zinc/36/28/94/1001362894.db2.gz UGNUQAKDECKUAT-ZDUSSCGKSA-N -1 0 306.326 -0.798 20 0 DBADRM CC(C)CN1N=C(C(=O)N2CCO[C@H](C(=O)[O-])C2)CCC1=O ZINC001591366959 1016489771 /nfs/dbraw/zinc/48/97/71/1016489771.db2.gz IASFHFKTUHEKOQ-NSHDSACASA-N -1 0 311.338 -0.067 20 0 DBADRM Cc1cc(CN2CCN(C(=O)CCc3nnn[n-]3)CC2)on1 ZINC001412375908 1001380113 /nfs/dbraw/zinc/38/01/13/1001380113.db2.gz AVSKAQAGMKGKQQ-UHFFFAOYSA-N -1 0 305.342 -0.227 20 0 DBADRM CC(C)CN1N=C(C(=O)N[C@]2(C(=O)[O-])CCOC2)CCC1=O ZINC001591366928 1016490936 /nfs/dbraw/zinc/49/09/36/1016490936.db2.gz GKUYWRLCUVGALP-CQSZACIVSA-N -1 0 311.338 -0.019 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@H]1CCS(=O)(=O)C1 ZINC001412395273 1001385544 /nfs/dbraw/zinc/38/55/44/1001385544.db2.gz PRRJUVKKWBOZIK-ZCFIWIBFSA-N -1 0 306.369 -0.847 20 0 DBADRM CCCC(=O)N(C)C[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001412404999 1001388424 /nfs/dbraw/zinc/38/84/24/1001388424.db2.gz DONZDEGJOQHHNN-SECBINFHSA-N -1 0 310.354 -0.137 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC001412402708 1001388664 /nfs/dbraw/zinc/38/86/64/1001388664.db2.gz UEVCIEBSGLJPGG-GFCCVEGCSA-N -1 0 321.362 -0.018 20 0 DBADRM Cn1[nH]c(=O)c2c1CN(C(=O)CSc1n[nH]c(=O)[n-]1)CC2 ZINC001412423428 1001396525 /nfs/dbraw/zinc/39/65/25/1001396525.db2.gz XERVBVOPSFBHFI-UHFFFAOYSA-N -1 0 310.339 -0.374 20 0 DBADRM NC(=O)[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2[O-])CCO1 ZINC001423659004 1001400476 /nfs/dbraw/zinc/40/04/76/1001400476.db2.gz YHYMSFHGNRTHHK-MRVPVSSYSA-N -1 0 320.754 -0.080 20 0 DBADRM CO[C@H]1CCCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001591355272 1016487132 /nfs/dbraw/zinc/48/71/32/1016487132.db2.gz WMAFVSJJRZPUSS-VIFPVBQESA-N -1 0 321.345 -0.721 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1[O-] ZINC001412460978 1001412131 /nfs/dbraw/zinc/41/21/31/1001412131.db2.gz YIOUNVIJIXXIGB-MRVPVSSYSA-N -1 0 302.356 -0.422 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)N2CCC(c3nnn[n-]3)CC2)C1 ZINC001412476385 1001419133 /nfs/dbraw/zinc/41/91/33/1001419133.db2.gz UJJFOHJECXVMCS-JTQLQIEISA-N -1 0 307.358 -0.304 20 0 DBADRM O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1CC[C@H](c2nnn[n-]2)C1 ZINC001412488410 1001424525 /nfs/dbraw/zinc/42/45/25/1001424525.db2.gz KLTFLDLVESSZIG-RNJXMRFFSA-N -1 0 321.259 -0.138 20 0 DBADRM O=C(COCc1cc[nH]c(=O)c1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001412493590 1001425535 /nfs/dbraw/zinc/42/55/35/1001425535.db2.gz WDLZXQAAEHXPLT-SNVBAGLBSA-N -1 0 304.310 -0.167 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N2CC[C@H](c3nnn[n-]3)C2)n1 ZINC001412493536 1001425683 /nfs/dbraw/zinc/42/56/83/1001425683.db2.gz VUMWURBMNXZALD-QMMMGPOBSA-N -1 0 305.346 -0.500 20 0 DBADRM Cc1[nH]ccc1C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423765566 1001427237 /nfs/dbraw/zinc/42/72/37/1001427237.db2.gz OBHXWLBWDSVFKX-AWEZNQCLSA-N -1 0 320.353 -0.486 20 0 DBADRM O=C(NCc1nnn[n-]1)C1CCN(C(=O)c2cccnc2)CC1 ZINC001412508225 1001431464 /nfs/dbraw/zinc/43/14/64/1001431464.db2.gz UJGOCSAPJKHOBE-UHFFFAOYSA-N -1 0 315.337 -0.237 20 0 DBADRM CN(CCCC(=O)NCc1nnn[n-]1)C(=O)c1ccncc1 ZINC001412505907 1001431599 /nfs/dbraw/zinc/43/15/99/1001431599.db2.gz OWBDQENXMQGAEI-UHFFFAOYSA-N -1 0 303.326 -0.237 20 0 DBADRM CC(C)CNC(=O)CN1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001591369633 1016493681 /nfs/dbraw/zinc/49/36/81/1016493681.db2.gz UQVLGPWXEUBUNM-RYUDHWBXSA-N -1 0 311.382 -0.473 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001412534824 1001440952 /nfs/dbraw/zinc/44/09/52/1001440952.db2.gz RRIYHOVQAOSMPM-VIFPVBQESA-N -1 0 317.305 -0.786 20 0 DBADRM CN1C[C@@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CCC1=O ZINC001412581019 1001464111 /nfs/dbraw/zinc/46/41/11/1001464111.db2.gz RYESAZBUCUTDAT-JTQLQIEISA-N -1 0 315.337 -0.575 20 0 DBADRM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCc1nnn[n-]1)CC2 ZINC001412589730 1001469012 /nfs/dbraw/zinc/46/90/12/1001469012.db2.gz IPUIMQQPUDYLLE-MNOVXSKESA-N -1 0 309.370 -0.089 20 0 DBADRM Cc1nn(CC(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)c(=O)o1 ZINC001412605493 1001487843 /nfs/dbraw/zinc/48/78/43/1001487843.db2.gz FRYOOQPFUQZBEX-VIFPVBQESA-N -1 0 307.314 -0.861 20 0 DBADRM COC[C@@H](NC(=O)CCSc1n[nH]c(C)n1)c1nnn[n-]1 ZINC001412604735 1001489609 /nfs/dbraw/zinc/48/96/09/1001489609.db2.gz JJTBSIQMIQMZOO-SSDOTTSWSA-N -1 0 312.359 -0.388 20 0 DBADRM COC[C@H](NC(=O)CCSc1n[nH]c(C)n1)c1nnn[n-]1 ZINC001412604742 1001490248 /nfs/dbraw/zinc/49/02/48/1001490248.db2.gz JJTBSIQMIQMZOO-ZETCQYMHSA-N -1 0 312.359 -0.388 20 0 DBADRM COC[C@@H](NC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1nnn[n-]1 ZINC001412609533 1001491818 /nfs/dbraw/zinc/49/18/18/1001491818.db2.gz PDAXKZCOHQQHQC-MRVPVSSYSA-N -1 0 305.298 -0.310 20 0 DBADRM CCn1nc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)ccc1=O ZINC001412616720 1001499354 /nfs/dbraw/zinc/49/93/54/1001499354.db2.gz VUOYKNVJULGRGC-JTQLQIEISA-N -1 0 317.353 -0.129 20 0 DBADRM CC(C)(CNC(=O)CCCn1c(=O)[n-][nH]c1=O)S(C)(=O)=O ZINC001412620182 1001503328 /nfs/dbraw/zinc/50/33/28/1001503328.db2.gz KYYSVMRIAFRKNE-UHFFFAOYSA-N -1 0 320.371 -0.591 20 0 DBADRM CC(C)COC(=O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001591380033 1016500175 /nfs/dbraw/zinc/50/01/75/1016500175.db2.gz PILLMAAJMIBMGE-SNVBAGLBSA-N -1 0 307.368 -0.241 20 0 DBADRM Cn1cc(N2CCN(C(=O)CCCc3nnn[n-]3)CC2=O)cn1 ZINC001412621747 1001508658 /nfs/dbraw/zinc/50/86/58/1001508658.db2.gz WCWCNPMYCGCQJI-UHFFFAOYSA-N -1 0 318.341 -0.869 20 0 DBADRM COC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)cs1)c1nnn[n-]1 ZINC001591379909 1016500546 /nfs/dbraw/zinc/50/05/46/1016500546.db2.gz FBCQNRACIJCNHL-ZCFIWIBFSA-N -1 0 321.326 -0.441 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)cn1 ZINC001412637003 1001517091 /nfs/dbraw/zinc/51/70/91/1001517091.db2.gz HVFTUYOSESLXCW-OWUUHHOZSA-N -1 0 315.351 -0.933 20 0 DBADRM COCC1(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001591387297 1016502194 /nfs/dbraw/zinc/50/21/94/1016502194.db2.gz CVSNDHMJJUMHAA-UHFFFAOYSA-N -1 0 306.330 -0.609 20 0 DBADRM O=C(CCc1nnn[n-]1)NC1(c2ncccn2)CCOCC1 ZINC001412673231 1001528962 /nfs/dbraw/zinc/52/89/62/1001528962.db2.gz UMUCQSKEDZNSCF-UHFFFAOYSA-N -1 0 303.326 -0.256 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc1=O ZINC001412701941 1001535104 /nfs/dbraw/zinc/53/51/04/1001535104.db2.gz UHFRGGWRNOHIMD-GFCCVEGCSA-N -1 0 322.409 -0.036 20 0 DBADRM O=C(NC(CO)CO)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001412719133 1001540086 /nfs/dbraw/zinc/54/00/86/1001540086.db2.gz XYQYQKYIOAFMAG-UHFFFAOYSA-N -1 0 313.260 -0.061 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001423994971 1001540998 /nfs/dbraw/zinc/54/09/98/1001540998.db2.gz DGVAHMGQQBOZKV-VHSXEESVSA-N -1 0 312.413 -0.378 20 0 DBADRM CCC(=O)NCC(C)(C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001424007777 1001544168 /nfs/dbraw/zinc/54/41/68/1001544168.db2.gz IWYYHRRMVFQDMW-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC001412736329 1001547591 /nfs/dbraw/zinc/54/75/91/1001547591.db2.gz XHWUVASQYUJXER-ZETCQYMHSA-N -1 0 320.275 -0.198 20 0 DBADRM Cc1noc(C[C@H]2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001412742016 1001551821 /nfs/dbraw/zinc/55/18/21/1001551821.db2.gz XPWSRQJZMMMNCW-SECBINFHSA-N -1 0 322.325 -0.138 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@@H](O)CO ZINC001412746761 1001554320 /nfs/dbraw/zinc/55/43/20/1001554320.db2.gz ROOAUICMEDYVKI-MRVPVSSYSA-N -1 0 306.315 -0.720 20 0 DBADRM COC[C@H]1CN(Cn2cccc(-c3nnn[n-]3)c2=O)C[C@H](C)O1 ZINC001591396163 1016504740 /nfs/dbraw/zinc/50/47/40/1016504740.db2.gz RPWLUMJSMLOXRB-WDEREUQCSA-N -1 0 320.353 -0.278 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC001424046787 1001555007 /nfs/dbraw/zinc/55/50/07/1001555007.db2.gz JBCYXZHPWHWFEP-BDAKNGLRSA-N -1 0 305.381 -0.250 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001412755796 1001560014 /nfs/dbraw/zinc/56/00/14/1001560014.db2.gz BNDYHGADHXDNON-VIFPVBQESA-N -1 0 318.341 -0.587 20 0 DBADRM Cn1cc([C@]2(CNC(=O)CCc3nnn[n-]3)CCCO2)cn1 ZINC001412759702 1001563256 /nfs/dbraw/zinc/56/32/56/1001563256.db2.gz LMGSZQPGWSINAH-CYBMUJFWSA-N -1 0 305.342 -0.312 20 0 DBADRM COCC1CCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001591394335 1016505532 /nfs/dbraw/zinc/50/55/32/1016505532.db2.gz QUVAKXBFKXPAPN-VIFPVBQESA-N -1 0 320.357 -0.096 20 0 DBADRM Cn1[n-]c(C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)cc1=O ZINC001412761844 1001563821 /nfs/dbraw/zinc/56/38/21/1001563821.db2.gz UVSOVIJOAQHPQR-MRVPVSSYSA-N -1 0 304.310 -0.370 20 0 DBADRM O=S(=O)(CCNS(=O)(=O)c1ncc[n-]1)C1CCOCC1 ZINC001424077943 1001564453 /nfs/dbraw/zinc/56/44/53/1001564453.db2.gz DLXGFJWXXQYKGA-UHFFFAOYSA-N -1 0 323.396 -0.718 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CC[C@H](O)[C@@H](F)C1 ZINC001412774517 1001570935 /nfs/dbraw/zinc/57/09/35/1001570935.db2.gz ODUGDZRIDIMCAM-QWRGUYRKSA-N -1 0 322.296 -0.189 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CC[C@@H](O)[C@H](F)C1 ZINC001412774508 1001571214 /nfs/dbraw/zinc/57/12/14/1001571214.db2.gz ODUGDZRIDIMCAM-GHMZBOCLSA-N -1 0 322.296 -0.189 20 0 DBADRM C[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001424104193 1001571575 /nfs/dbraw/zinc/57/15/75/1001571575.db2.gz SZTNQEVKJDADJA-JGVFFNPUSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC[C@H](O)[C@@H](F)C1 ZINC001412777784 1001573738 /nfs/dbraw/zinc/57/37/38/1001573738.db2.gz TUMRZYQBNOEYKO-IUCAKERBSA-N -1 0 308.269 -0.019 20 0 DBADRM CC[C@](COC)([N-]S(=O)(=O)C[C@H]1CCOC1)C(=O)OC ZINC001424161059 1001587088 /nfs/dbraw/zinc/58/70/88/1001587088.db2.gz ZQEXCWTXTBHUFM-CMPLNLGQSA-N -1 0 309.384 -0.090 20 0 DBADRM CN(CCCN(C)C(=O)c1ccc(=O)[nH]n1)Cc1n[nH]c(=O)[n-]1 ZINC001424268271 1001613381 /nfs/dbraw/zinc/61/33/81/1001613381.db2.gz PHFHTMXGXNRKSF-UHFFFAOYSA-N -1 0 321.341 -0.400 20 0 DBADRM Cn1c(Cl)ncc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001412845053 1001617600 /nfs/dbraw/zinc/61/76/00/1001617600.db2.gz XNJWZDDJIQAOEJ-UHFFFAOYSA-N -1 0 304.719 -0.153 20 0 DBADRM COc1cnc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)nc1 ZINC001412860957 1001624553 /nfs/dbraw/zinc/62/45/53/1001624553.db2.gz XKRQXOBLKBVTNE-QMMMGPOBSA-N -1 0 307.339 -0.071 20 0 DBADRM O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001412888385 1001635957 /nfs/dbraw/zinc/63/59/57/1001635957.db2.gz VQGMSQKJYBIPSO-IUCAKERBSA-N -1 0 314.367 -0.349 20 0 DBADRM CC(=O)NCc1cccc(C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC001412895811 1001639283 /nfs/dbraw/zinc/63/92/83/1001639283.db2.gz MIPLBMUEIOQMKP-UHFFFAOYSA-N -1 0 304.306 -0.029 20 0 DBADRM Cn1nccc1[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001412898347 1001639668 /nfs/dbraw/zinc/63/96/68/1001639668.db2.gz JLRVWSLVKRUJCJ-VIFPVBQESA-N -1 0 306.326 -0.171 20 0 DBADRM Cc1cnc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c(O)c1 ZINC001412895685 1001639902 /nfs/dbraw/zinc/63/99/02/1001639902.db2.gz DSCOKVYRWMUEJZ-UHFFFAOYSA-N -1 0 304.310 -0.267 20 0 DBADRM COCCCNC(=O)Cn1nc(C)c(C)c(-c2nnn[n-]2)c1=O ZINC001591414899 1016514563 /nfs/dbraw/zinc/51/45/63/1016514563.db2.gz BJIRZCQQEWXISJ-UHFFFAOYSA-N -1 0 321.341 -0.807 20 0 DBADRM COCc1ncc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)s1 ZINC001412904296 1001642233 /nfs/dbraw/zinc/64/22/33/1001642233.db2.gz SXRLWKWQVAMNDH-UHFFFAOYSA-N -1 0 324.366 -0.074 20 0 DBADRM C[C@@H](NC(=O)C1(C)CC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001424506920 1001653692 /nfs/dbraw/zinc/65/36/92/1001653692.db2.gz BCWKCEJBICFVJV-MRVPVSSYSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412937543 1001655389 /nfs/dbraw/zinc/65/53/89/1001655389.db2.gz DHEDROJLMKGCFT-ZJUUUORDSA-N -1 0 311.342 -0.989 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[n-]ncc2=O)C1 ZINC001412942874 1001657652 /nfs/dbraw/zinc/65/76/52/1001657652.db2.gz UHLMKWHRSUMIAL-MWLCHTKSSA-N -1 0 324.337 -0.108 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412964792 1001668916 /nfs/dbraw/zinc/66/89/16/1001668916.db2.gz FGFNKQYQDMBORR-VIFPVBQESA-N -1 0 308.342 -0.050 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001412975187 1001672482 /nfs/dbraw/zinc/67/24/82/1001672482.db2.gz GAYCTSWTIZHQAC-LURJTMIESA-N -1 0 323.400 -0.954 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001412975189 1001672646 /nfs/dbraw/zinc/67/26/46/1001672646.db2.gz GAYCTSWTIZHQAC-ZCFIWIBFSA-N -1 0 323.400 -0.954 20 0 DBADRM CS(=O)(=O)CC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001413006687 1001681710 /nfs/dbraw/zinc/68/17/10/1001681710.db2.gz SAMBVDHVVSVAIJ-UHFFFAOYSA-N -1 0 316.339 -0.820 20 0 DBADRM COc1ccc([C@@H](CO)CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001413087000 1001697957 /nfs/dbraw/zinc/69/79/57/1001697957.db2.gz XLKBHHJOTPTKJO-SNVBAGLBSA-N -1 0 322.321 -0.410 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001413085836 1001698030 /nfs/dbraw/zinc/69/80/30/1001698030.db2.gz OSWYWPXPZYUBES-SSDOTTSWSA-N -1 0 310.314 -0.841 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@H]3CCOC3=O)cc2=O)n1 ZINC001413191019 1001711190 /nfs/dbraw/zinc/71/11/90/1001711190.db2.gz UWQDUMSLNXWLJK-VIFPVBQESA-N -1 0 317.305 -0.382 20 0 DBADRM C[C@@H](C(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C)S(C)(=O)=O ZINC001413189389 1001711637 /nfs/dbraw/zinc/71/16/37/1001711637.db2.gz MOQFHUAJVFLPEA-NKWVEPMBSA-N -1 0 305.356 -0.001 20 0 DBADRM C[C@H](C(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C)S(C)(=O)=O ZINC001413189408 1001711872 /nfs/dbraw/zinc/71/18/72/1001711872.db2.gz MOQFHUAJVFLPEA-RQJHMYQMSA-N -1 0 305.356 -0.001 20 0 DBADRM CCOCC(=O)N(C)C[C@@H](O)CNC(=O)c1ncccc1O ZINC001413200016 1001715861 /nfs/dbraw/zinc/71/58/61/1001715861.db2.gz DAPXDNCIMROZBW-JTQLQIEISA-N -1 0 311.338 -0.627 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)OCc1ccccc1 ZINC001413224257 1001740506 /nfs/dbraw/zinc/74/05/06/1001740506.db2.gz PYFFSJXXORQBLG-VIFPVBQESA-N -1 0 320.305 -0.063 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(C)C ZINC001424705829 1001749505 /nfs/dbraw/zinc/74/95/05/1001749505.db2.gz LNLLRPLBCYAEKM-NTCNTBNZSA-N -1 0 315.417 -0.407 20 0 DBADRM COCCc1nc(Cn2cc(C)cc(-c3nnn[n-]3)c2=O)no1 ZINC001591447770 1016524985 /nfs/dbraw/zinc/52/49/85/1016524985.db2.gz DRKDPMQBMZIVLE-UHFFFAOYSA-N -1 0 317.309 -0.043 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC2(C(N)=O)CCOCC2)nn1 ZINC001413278634 1001800979 /nfs/dbraw/zinc/80/09/79/1001800979.db2.gz VDSCFOYZGACBFP-UHFFFAOYSA-N -1 0 314.367 -0.655 20 0 DBADRM CN1Cc2ccccc2[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1=O ZINC001413292352 1001804980 /nfs/dbraw/zinc/80/49/80/1001804980.db2.gz GXTHHSRRZAJLFR-VIFPVBQESA-N -1 0 315.289 -0.274 20 0 DBADRM COC(=O)[C@@H](CNS(=O)(=O)c1ncc[n-]1)[C@H]1CCOC1 ZINC001424910579 1001812260 /nfs/dbraw/zinc/81/22/60/1001812260.db2.gz HJSNFYOWOBYHQW-IUCAKERBSA-N -1 0 303.340 -0.486 20 0 DBADRM Cn1cc(CC2CN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C2)cn1 ZINC001413328409 1001815305 /nfs/dbraw/zinc/81/53/05/1001815305.db2.gz HKVCXFSIBZCNKA-UHFFFAOYSA-N -1 0 320.353 -0.096 20 0 DBADRM COCC(=O)N(C)C[C@@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001424965473 1001818688 /nfs/dbraw/zinc/81/86/88/1001818688.db2.gz PRQLCUGCRYNGOQ-SECBINFHSA-N -1 0 321.337 -0.754 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)NCCc2nc(=O)o[n-]2)CC1 ZINC001413349323 1001822630 /nfs/dbraw/zinc/82/26/30/1001822630.db2.gz MRQCGRQAHOVEAQ-UHFFFAOYSA-N -1 0 319.339 -0.689 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H](CO)Cc1cncs1 ZINC001413353815 1001824410 /nfs/dbraw/zinc/82/44/10/1001824410.db2.gz HBGMYGZFRGTBHS-LURJTMIESA-N -1 0 315.380 -0.221 20 0 DBADRM COc1cc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)on1 ZINC001425014698 1001827781 /nfs/dbraw/zinc/82/77/81/1001827781.db2.gz DCBVSKWYTRQNRT-SSDOTTSWSA-N -1 0 310.314 -0.243 20 0 DBADRM COCOCCCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591452141 1016528736 /nfs/dbraw/zinc/52/87/36/1016528736.db2.gz VGNHXEKAWVEDHS-QMMMGPOBSA-N -1 0 310.318 -0.854 20 0 DBADRM CS(C)(=O)=NC(=O)CNS(=O)(=O)c1ccccc1[O-] ZINC001413379303 1001833182 /nfs/dbraw/zinc/83/31/82/1001833182.db2.gz HFHHLMDWJBCVFP-UHFFFAOYSA-N -1 0 306.365 -0.075 20 0 DBADRM C[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)Cc2c[nH]nc21 ZINC001413410097 1001841003 /nfs/dbraw/zinc/84/10/03/1001841003.db2.gz BACPTLHHSFDPCC-QMMMGPOBSA-N -1 0 313.321 -0.060 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@H](C)C1CC1 ZINC001433385088 1001844234 /nfs/dbraw/zinc/84/42/34/1001844234.db2.gz KWPFDFOYAHCUOK-RKDXNWHRSA-N -1 0 322.365 -0.234 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)n1 ZINC001413429364 1001847013 /nfs/dbraw/zinc/84/70/13/1001847013.db2.gz OPZWPJHGCFYOIB-UHFFFAOYSA-N -1 0 317.352 -0.586 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)C[C@H](C)C(=O)OC ZINC001413435323 1001848151 /nfs/dbraw/zinc/84/81/51/1001848151.db2.gz GKUHEWNHNBOIDY-IUCAKERBSA-N -1 0 311.356 -0.707 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)C(=O)NCC(F)F)C(=O)[O-] ZINC001591453323 1016530117 /nfs/dbraw/zinc/53/01/17/1016530117.db2.gz HLMQHYDJINNNGQ-ZETCQYMHSA-N -1 0 323.296 -0.901 20 0 DBADRM O=C(c1cnc2n(c1=O)CCS2)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001413464508 1001855046 /nfs/dbraw/zinc/85/50/46/1001855046.db2.gz ASHAUETZZPQEHA-SSDOTTSWSA-N -1 0 319.350 -0.508 20 0 DBADRM COc1cccc(C(=O)CNC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001413466258 1001855172 /nfs/dbraw/zinc/85/51/72/1001855172.db2.gz FKBPVORZEJMUAJ-UHFFFAOYSA-N -1 0 306.278 -0.303 20 0 DBADRM O=C(c1cnc2n(c1=O)CCS2)N1CC[C@H](c2nnn[n-]2)C1 ZINC001413464529 1001855192 /nfs/dbraw/zinc/85/51/92/1001855192.db2.gz ASHAUETZZPQEHA-ZETCQYMHSA-N -1 0 319.350 -0.508 20 0 DBADRM CC(C)C[C@@H](C(N)=O)N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001413462904 1001855488 /nfs/dbraw/zinc/85/54/88/1001855488.db2.gz ZWSBXAUGNORXGD-JTQLQIEISA-N -1 0 320.353 -0.570 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@H]1CCCNC1=O)C(=O)[O-] ZINC001591457445 1016530652 /nfs/dbraw/zinc/53/06/52/1016530652.db2.gz HRNCWGUUXHBLLU-UWVGGRQHSA-N -1 0 313.354 -0.756 20 0 DBADRM COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CC[C@H](c3nnn[n-]3)C2)C1 ZINC001413472262 1001857673 /nfs/dbraw/zinc/85/76/73/1001857673.db2.gz SJKGVHCBPJUEMK-GARJFASQSA-N -1 0 323.353 -0.126 20 0 DBADRM CCC1(C(=O)N[C@H](C)CNC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001433490141 1001864287 /nfs/dbraw/zinc/86/42/87/1001864287.db2.gz XGAAOYSPJPLJSE-SECBINFHSA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C1CN(CCF)C1 ZINC001425240148 1001873603 /nfs/dbraw/zinc/87/36/03/1001873603.db2.gz XJJPDMNDVZIOTI-SECBINFHSA-N -1 0 315.349 -0.125 20 0 DBADRM CCC(=O)NC[C@@H](CO)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001425253007 1001877100 /nfs/dbraw/zinc/87/71/00/1001877100.db2.gz FNCLQXSYIJONKA-ZETCQYMHSA-N -1 0 308.294 -0.455 20 0 DBADRM COC[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001413557747 1001878884 /nfs/dbraw/zinc/87/88/84/1001878884.db2.gz VEILTSCEDRTIQJ-SFYZADRCSA-N -1 0 314.346 -0.083 20 0 DBADRM COC[C@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)c1nnn[n-]1 ZINC001413559442 1001879036 /nfs/dbraw/zinc/87/90/36/1001879036.db2.gz YFSGADVQFKGQIC-APPZFPTMSA-N -1 0 308.298 -0.585 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21 ZINC001413564015 1001880290 /nfs/dbraw/zinc/88/02/90/1001880290.db2.gz BZPVRPPFOXLLHL-SDDRHHMPSA-N -1 0 321.385 -0.117 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 ZINC001413564002 1001880430 /nfs/dbraw/zinc/88/04/30/1001880430.db2.gz BZPVRPPFOXLLHL-GRYCIOLGSA-N -1 0 321.385 -0.117 20 0 DBADRM CNC(=O)N[C@@H]1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001413563952 1001880858 /nfs/dbraw/zinc/88/08/58/1001880858.db2.gz WXGWWVUCABHJBN-SSDOTTSWSA-N -1 0 314.371 -0.478 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001433545989 1001881551 /nfs/dbraw/zinc/88/15/51/1001881551.db2.gz XJINQQTYQLNILF-IUCAKERBSA-N -1 0 321.337 -0.708 20 0 DBADRM Cn1[n-]c(C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1=O ZINC001433589826 1001891813 /nfs/dbraw/zinc/89/18/13/1001891813.db2.gz ALKIYWWKWQTLMF-UHFFFAOYSA-N -1 0 316.364 -0.235 20 0 DBADRM CN(C)C(=O)CNC(=O)c1nc[n-]c(=O)c1Br ZINC001433595223 1001893987 /nfs/dbraw/zinc/89/39/87/1001893987.db2.gz JKYXEQVULBJXMX-UHFFFAOYSA-N -1 0 303.116 -0.237 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1cnncc1O)C(=O)[O-] ZINC001591463475 1016537077 /nfs/dbraw/zinc/53/70/77/1016537077.db2.gz NZIXHTOYMOGHAU-VIFPVBQESA-N -1 0 310.310 -0.473 20 0 DBADRM Cc1cccc(N(CCC(N)=O)C(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001433630850 1001917403 /nfs/dbraw/zinc/91/74/03/1001917403.db2.gz SENOYRNCLHEDQB-UHFFFAOYSA-N -1 0 319.321 -0.094 20 0 DBADRM COc1c(-c2nnn[n-]2)ccc(=O)n1CCN1CCOC1=O ZINC001591475113 1016539494 /nfs/dbraw/zinc/53/94/94/1016539494.db2.gz QKLQLVAJGPOCDX-UHFFFAOYSA-N -1 0 306.282 -0.511 20 0 DBADRM O=C(CN1CCNC(=O)C1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC001433649664 1001922462 /nfs/dbraw/zinc/92/24/62/1001922462.db2.gz YSQGUVIVQWUMGP-UHFFFAOYSA-N -1 0 317.305 -0.600 20 0 DBADRM CC(C)C[C@H](NS(=O)(=O)C[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC001591472629 1016539980 /nfs/dbraw/zinc/53/99/80/1016539980.db2.gz QLZSRBAVCDJKOB-QWRGUYRKSA-N -1 0 308.400 -0.264 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001413701741 1001941992 /nfs/dbraw/zinc/94/19/92/1001941992.db2.gz HNSAABBWJKUOCR-RNJXMRFFSA-N -1 0 312.288 -0.166 20 0 DBADRM CC(C)N(C)C(=O)CN1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001591550916 1016549501 /nfs/dbraw/zinc/54/95/01/1016549501.db2.gz OMIZFFUUQPLFHS-NEPJUHHUSA-N -1 0 311.382 -0.284 20 0 DBADRM COc1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)ccc1O ZINC001591541375 1016551467 /nfs/dbraw/zinc/55/14/67/1016551467.db2.gz RVHVKERCPYNZKN-UHFFFAOYSA-N -1 0 316.281 -0.189 20 0 DBADRM CC(C)C(=O)NC[C@H]1CCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001433692366 1001972443 /nfs/dbraw/zinc/97/24/43/1001972443.db2.gz OKZSUUUEKBPGHY-SECBINFHSA-N -1 0 323.353 -0.412 20 0 DBADRM O=C(NC[C@H]1CCC2(CCOCC2)O1)c1n[nH]c(=O)[n-]c1=O ZINC001413743680 1001983951 /nfs/dbraw/zinc/98/39/51/1001983951.db2.gz ZMTMUITXLLVPLX-MRVPVSSYSA-N -1 0 310.310 -0.259 20 0 DBADRM O=C(NC[C@@H]1CCC2(CCOCC2)O1)c1n[nH]c(=O)[n-]c1=O ZINC001413743718 1001985378 /nfs/dbraw/zinc/98/53/78/1001985378.db2.gz ZMTMUITXLLVPLX-QMMMGPOBSA-N -1 0 310.310 -0.259 20 0 DBADRM COC(=O)c1ccn(CC(=O)N[C@H](C)c2nn(C)cc2[O-])n1 ZINC001413764440 1001996931 /nfs/dbraw/zinc/99/69/31/1001996931.db2.gz PKIAFAYQJCPMSB-MRVPVSSYSA-N -1 0 307.310 -0.014 20 0 DBADRM C[C@H](CC[S@](C)=O)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001433732917 1002002325 /nfs/dbraw/zinc/00/23/25/1002002325.db2.gz KGKZRAMZYHDFEO-SQFXPLBJSA-N -1 0 304.372 -0.257 20 0 DBADRM CC(C)N(C[C@@H](O)CO)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001591573984 1016553829 /nfs/dbraw/zinc/55/38/29/1016553829.db2.gz XECTZVFUGVLHRH-SNVBAGLBSA-N -1 0 318.351 -0.468 20 0 DBADRM CC(C)N1C[C@H](NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1=O ZINC001591610643 1016554003 /nfs/dbraw/zinc/55/40/03/1016554003.db2.gz OTQRTJXURNKWTB-CKYFFXLPSA-N -1 0 313.354 -0.215 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C1=O ZINC001591605394 1016554809 /nfs/dbraw/zinc/55/48/09/1016554809.db2.gz LLNGXIBLMLZVJV-MRVPVSSYSA-N -1 0 320.367 -0.448 20 0 DBADRM CC(C)N1C[C@@H](N2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)CC1=O ZINC001591609881 1016555048 /nfs/dbraw/zinc/55/50/48/1016555048.db2.gz BIGJEOPEKNONNH-YSSBGUOXSA-N -1 0 309.322 -0.363 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)c2ccn(C)c2)c1[O-] ZINC001425361684 1002015737 /nfs/dbraw/zinc/01/57/37/1002015737.db2.gz ZGAPWWLPBPCFKN-SNVBAGLBSA-N -1 0 321.337 -0.717 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001591641293 1016555737 /nfs/dbraw/zinc/55/57/37/1016555737.db2.gz RWFPUHSTLBBJRF-UWVGGRQHSA-N -1 0 303.334 -0.534 20 0 DBADRM CC(C)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001591624598 1016556231 /nfs/dbraw/zinc/55/62/31/1016556231.db2.gz QQHOGSFFJUGSSO-WDEREUQCSA-N -1 0 318.395 -0.431 20 0 DBADRM CC(C)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC001591629868 1016556264 /nfs/dbraw/zinc/55/62/64/1016556264.db2.gz WQRFVHZEEYKDEM-VXGBXAGGSA-N -1 0 311.382 -0.282 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)Cc2cnoc2)c1[O-] ZINC001433775235 1002024529 /nfs/dbraw/zinc/02/45/29/1002024529.db2.gz CHSPHYUJVYWHCQ-SNVBAGLBSA-N -1 0 319.321 -0.015 20 0 DBADRM CC(C)N1CC[C@H](N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1=O ZINC001591617059 1016556694 /nfs/dbraw/zinc/55/66/94/1016556694.db2.gz VGSLBRMCFPMCTI-QWRGUYRKSA-N -1 0 318.395 -0.431 20 0 DBADRM CCc1ocnc1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001597810895 1017209221 /nfs/dbraw/zinc/20/92/21/1017209221.db2.gz JFWISNGQNUKUPP-UHFFFAOYSA-N -1 0 316.335 -0.001 20 0 DBADRM COc1cccc(C(=O)Cn2cnc(-c3nnn[n-]3)cc2=O)n1 ZINC001591631876 1016557402 /nfs/dbraw/zinc/55/74/02/1016557402.db2.gz FKBYMCYNUIZDQH-UHFFFAOYSA-N -1 0 313.277 -0.290 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1=O ZINC001433795509 1002033018 /nfs/dbraw/zinc/03/30/18/1002033018.db2.gz KWQLKKNVUZNPSP-KXUCPTDWSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)NCc1nc(C(=O)[O-])co1 ZINC001591641305 1016558395 /nfs/dbraw/zinc/55/83/95/1016558395.db2.gz STZALPGPLITJSL-UHFFFAOYSA-N -1 0 312.326 -0.555 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)NCc1ocnc1C(=O)[O-] ZINC001591641192 1016558453 /nfs/dbraw/zinc/55/84/53/1016558453.db2.gz MGADUIURRLFYSN-UHFFFAOYSA-N -1 0 312.326 -0.555 20 0 DBADRM C[C@@]1(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CCCS1(=O)=O ZINC001413853628 1002040462 /nfs/dbraw/zinc/04/04/62/1002040462.db2.gz WRHOVFJJWUXJBO-VIFPVBQESA-N -1 0 322.368 -0.886 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1n1ccnc1 ZINC001433806459 1002041571 /nfs/dbraw/zinc/04/15/71/1002041571.db2.gz KIRBMOJXLONWSO-ZJUUUORDSA-N -1 0 306.326 -0.005 20 0 DBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001591647428 1016559629 /nfs/dbraw/zinc/55/96/29/1016559629.db2.gz MHMJDGQNBCYNLP-UWVGGRQHSA-N -1 0 301.343 -0.479 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)c1cc(C(=O)[O-])ccn1 ZINC001591661398 1016560722 /nfs/dbraw/zinc/56/07/22/1016560722.db2.gz LRWVDERXLJJTHL-UHFFFAOYSA-N -1 0 315.351 -0.163 20 0 DBADRM COc1ccnc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC001591655716 1016560829 /nfs/dbraw/zinc/56/08/29/1016560829.db2.gz AIVTVZOBGCUUQX-UHFFFAOYSA-N -1 0 315.297 -0.822 20 0 DBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001433830867 1002055221 /nfs/dbraw/zinc/05/52/21/1002055221.db2.gz CXUDZVRFMYLGQZ-IUCAKERBSA-N -1 0 309.374 -0.011 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(c2ccccn2)C1 ZINC001433829288 1002055299 /nfs/dbraw/zinc/05/52/99/1002055299.db2.gz UBPUSDFUWZKOCP-VIFPVBQESA-N -1 0 304.310 -0.521 20 0 DBADRM COc1n[nH]c([N-]S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)n1 ZINC001591662489 1016561971 /nfs/dbraw/zinc/56/19/71/1016561971.db2.gz BMLVPIXNUQHZJO-UHFFFAOYSA-N -1 0 323.298 -0.811 20 0 DBADRM COc1cc(C(=O)[N-]N2CCCC2=O)sc1S(N)(=O)=O ZINC001433844315 1002064468 /nfs/dbraw/zinc/06/44/68/1002064468.db2.gz QSFHXCIBCHUNAH-UHFFFAOYSA-N -1 0 319.364 -0.329 20 0 DBADRM Cc1nnc([C@@H]2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)[nH]1 ZINC001433852956 1002070592 /nfs/dbraw/zinc/07/05/92/1002070592.db2.gz DDSFTKGDPYLWEU-MRVPVSSYSA-N -1 0 307.314 -0.478 20 0 DBADRM O=C(NC[C@H](CO)NC(=O)C1CC1)c1ccc2oc(=O)nc-2[n-]1 ZINC001425441270 1002082749 /nfs/dbraw/zinc/08/27/49/1002082749.db2.gz IGFWFSLXLPXCCB-MRVPVSSYSA-N -1 0 320.305 -0.455 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@@H]1CCCc2c1cnn2CCO ZINC001433874948 1002085868 /nfs/dbraw/zinc/08/58/68/1002085868.db2.gz FGLHFFRRIUFWTB-LLVKDONJSA-N -1 0 319.369 -0.095 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)NCC(C)(C)C(=O)[O-] ZINC001591666477 1016566579 /nfs/dbraw/zinc/56/65/79/1016566579.db2.gz GKTNUSVJHRJQOL-UHFFFAOYSA-N -1 0 324.403 -0.771 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccnn1C1CCC1 ZINC001433901024 1002101681 /nfs/dbraw/zinc/10/16/81/1002101681.db2.gz BFAVSLLZMVFVEF-UHFFFAOYSA-N -1 0 314.367 -0.196 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C1(c2ccccn2)CC1 ZINC001433900671 1002101997 /nfs/dbraw/zinc/10/19/97/1002101997.db2.gz ARFHQSGEUYBEGT-UHFFFAOYSA-N -1 0 311.363 -0.305 20 0 DBADRM C[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H](CO)O1 ZINC001433910795 1002107886 /nfs/dbraw/zinc/10/78/86/1002107886.db2.gz JPFBXOIHEBHEAF-RKDXNWHRSA-N -1 0 300.315 -0.922 20 0 DBADRM C[C@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H](CO)O1 ZINC001433910788 1002108055 /nfs/dbraw/zinc/10/80/55/1002108055.db2.gz JPFBXOIHEBHEAF-DTWKUNHWSA-N -1 0 300.315 -0.922 20 0 DBADRM CC(C)OC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CCO1 ZINC001433924632 1002116222 /nfs/dbraw/zinc/11/62/22/1002116222.db2.gz PNDLXMFSRSNIBB-VIFPVBQESA-N -1 0 300.315 -0.658 20 0 DBADRM C[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)[C@@H](C(N)=O)C1 ZINC001433925437 1002119983 /nfs/dbraw/zinc/11/99/83/1002119983.db2.gz KNEGBWAFWHJBDM-PSASIEDQSA-N -1 0 303.322 -0.251 20 0 DBADRM O=C(c1cnn2c1CCC2)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001433936211 1002123883 /nfs/dbraw/zinc/12/38/83/1002123883.db2.gz OCRGQMYIKAFBCK-UHFFFAOYSA-N -1 0 303.326 -0.534 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001433936333 1002124256 /nfs/dbraw/zinc/12/42/56/1002124256.db2.gz FTPFOPAEOSAUNG-SECBINFHSA-N -1 0 301.372 -0.442 20 0 DBADRM CCC(=O)N[C@@H](CO)CNC(=O)c1n[n-]c2ccccc2c1=O ZINC001425534293 1002165418 /nfs/dbraw/zinc/16/54/18/1002165418.db2.gz UUZXBWJNVJLWES-SECBINFHSA-N -1 0 318.333 -0.048 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]2CO)cc1-c1nnn[n-]1 ZINC001591704720 1016578265 /nfs/dbraw/zinc/57/82/65/1016578265.db2.gz VAVAOJDSCCQTGF-ZCFIWIBFSA-N -1 0 322.350 -0.104 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001591705439 1016578737 /nfs/dbraw/zinc/57/87/37/1016578737.db2.gz QILMRZCWTKOIRU-NXEZZACHSA-N -1 0 307.368 -0.100 20 0 DBADRM CC(C)CC(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001434036696 1002182178 /nfs/dbraw/zinc/18/21/78/1002182178.db2.gz ARSAIEBFZNSTKX-UHFFFAOYSA-N -1 0 311.342 -0.595 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NCc2cn(C)nn2)c1[O-] ZINC001425565737 1002200574 /nfs/dbraw/zinc/20/05/74/1002200574.db2.gz MFPOAJQAPAHRLI-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@]1(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)CCC(=O)N1 ZINC001434059042 1002209818 /nfs/dbraw/zinc/20/98/18/1002209818.db2.gz IUKDTOJULNWEKJ-CQSZACIVSA-N -1 0 315.337 -0.527 20 0 DBADRM CN(C[C@H]1CCN1C(=O)C1CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001414140013 1002215620 /nfs/dbraw/zinc/21/56/20/1002215620.db2.gz HPXFGZHIXKRZOG-SECBINFHSA-N -1 0 309.326 -0.841 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@]1(O)CCOC1 ZINC001414232082 1002263405 /nfs/dbraw/zinc/26/34/05/1002263405.db2.gz JYLVTGXZODMYJO-MLCYQJTMSA-N -1 0 314.429 -0.132 20 0 DBADRM COC(=O)CN(C1CCOCC1)S(=O)(=O)c1ncc[n-]1 ZINC001414226571 1002265850 /nfs/dbraw/zinc/26/58/50/1002265850.db2.gz VQNIWTXYAJPJRI-UHFFFAOYSA-N -1 0 303.340 -0.248 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(C[C@H]2CCO[C@@H]2C)c(=O)n1C ZINC001591793790 1016593585 /nfs/dbraw/zinc/59/35/85/1016593585.db2.gz JBTNIBBYYJIVMD-RKDXNWHRSA-N -1 0 306.326 -0.539 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(C[C@@H]2CCO[C@H]2C)c(=O)n1C ZINC001591793789 1016593762 /nfs/dbraw/zinc/59/37/62/1016593762.db2.gz JBTNIBBYYJIVMD-IUCAKERBSA-N -1 0 306.326 -0.539 20 0 DBADRM CN1CC[C@@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1=O ZINC001434111361 1002269232 /nfs/dbraw/zinc/26/92/32/1002269232.db2.gz JOZVIZIKWIEBAW-SECBINFHSA-N -1 0 318.337 -0.944 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ccon1 ZINC001425660634 1002271432 /nfs/dbraw/zinc/27/14/32/1002271432.db2.gz AGRIMHNRIORIEN-QMMMGPOBSA-N -1 0 310.314 -0.686 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001591820347 1016595064 /nfs/dbraw/zinc/59/50/64/1016595064.db2.gz ARGRVMVQFJNHPF-SECBINFHSA-N -1 0 321.351 -0.572 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001434123179 1002277370 /nfs/dbraw/zinc/27/73/70/1002277370.db2.gz YZMINEFYTJYFNG-UHFFFAOYSA-N -1 0 309.248 -0.406 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CCOC2CCCC2)c(=O)n1C ZINC001591793947 1016595560 /nfs/dbraw/zinc/59/55/60/1016595560.db2.gz QFMGFSOXEAEQCW-UHFFFAOYSA-N -1 0 320.353 -0.005 20 0 DBADRM CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001414245428 1002280247 /nfs/dbraw/zinc/28/02/47/1002280247.db2.gz FVEOTWXSVSWDMZ-LURJTMIESA-N -1 0 323.758 -0.409 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)n[nH]1 ZINC001414244663 1002280631 /nfs/dbraw/zinc/28/06/31/1002280631.db2.gz CZYMFHCGGPWZDW-UHFFFAOYSA-N -1 0 316.383 -0.089 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CCOC(F)F)c(=O)n1C ZINC001591793968 1016597263 /nfs/dbraw/zinc/59/72/63/1016597263.db2.gz RLLPSCZQCOCMKO-UHFFFAOYSA-N -1 0 302.241 -0.725 20 0 DBADRM CCC(=O)N[C@@]1(C)CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001434150043 1002289089 /nfs/dbraw/zinc/28/90/89/1002289089.db2.gz RNKWYWJUVNXTPM-AWEZNQCLSA-N -1 0 308.338 -0.383 20 0 DBADRM COC(=O)[C@H](Cc1ccncc1)NS(=O)(=O)c1ncc[n-]1 ZINC001414268257 1002294799 /nfs/dbraw/zinc/29/47/99/1002294799.db2.gz FLRSXPAAGXPJHA-JTQLQIEISA-N -1 0 310.335 -0.133 20 0 DBADRM CC(=O)NCc1nc(CNC(=O)Cc2ccnn2C)cc(=O)[nH]1 ZINC001414268696 1002298594 /nfs/dbraw/zinc/29/85/94/1002298594.db2.gz OCKCHRSSZMZKJD-UHFFFAOYSA-N -1 0 318.337 -0.589 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCc1ncn(C)n1 ZINC001591835688 1016600475 /nfs/dbraw/zinc/60/04/75/1016600475.db2.gz PUAMLYYTPWTOCX-UHFFFAOYSA-N -1 0 315.297 -0.666 20 0 DBADRM NC(=O)[C@]1(NS(=O)(=O)c2cc([O-])cc(F)c2)CCOC1 ZINC001414291128 1002309788 /nfs/dbraw/zinc/30/97/88/1002309788.db2.gz AXQTWEBGEZWHNI-NSHDSACASA-N -1 0 304.299 -0.546 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CC[C@@H]1C(=O)[O-] ZINC001591843747 1016600873 /nfs/dbraw/zinc/60/08/73/1016600873.db2.gz BGTBEGNEDHYPNA-NXEZZACHSA-N -1 0 304.368 -0.222 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N(C)Cc1ncon1 ZINC001591835148 1016600882 /nfs/dbraw/zinc/60/08/82/1016600882.db2.gz JVESYOQYVGULEX-UHFFFAOYSA-N -1 0 316.281 -0.069 20 0 DBADRM CSCC[C@H](NC(=O)[C@@H]1NC(=O)O[C@@H]1C)c1nnn[n-]1 ZINC001434198180 1002313827 /nfs/dbraw/zinc/31/38/27/1002313827.db2.gz AAXATXOEEHONMP-DSYKOEDSSA-N -1 0 300.344 -0.393 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NC1([C@H](C)O)CC1 ZINC001591834709 1016601740 /nfs/dbraw/zinc/60/17/40/1016601740.db2.gz OHPWVHZKTCONJZ-ZETCQYMHSA-N -1 0 304.310 -0.081 20 0 DBADRM CC1(C)CNC(=O)[C@H]1NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001434202865 1002317069 /nfs/dbraw/zinc/31/70/69/1002317069.db2.gz DJGNUCJLRZMJFS-SNVBAGLBSA-N -1 0 315.337 -0.671 20 0 DBADRM COCc1nc(C[N-]S(=O)(=O)N=S2(=O)CCCC2)n[nH]1 ZINC001414307782 1002316977 /nfs/dbraw/zinc/31/69/77/1002316977.db2.gz IKSPBSZXNPOWBB-UHFFFAOYSA-N -1 0 323.400 -0.453 20 0 DBADRM CCn1ncc(CNS(=O)(=O)c2n[nH]cc2C(=O)OC)n1 ZINC001414309497 1002317073 /nfs/dbraw/zinc/31/70/73/1002317073.db2.gz MMKGPHSKCXFAQA-UHFFFAOYSA-N -1 0 314.327 -0.714 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC[C@@H]2CCNC(=O)[C@H]21)C(=O)[O-] ZINC001591865871 1016603956 /nfs/dbraw/zinc/60/39/56/1016603956.db2.gz DBBIJXWVKCVQMD-WXHSDQCUSA-N -1 0 311.382 -0.188 20 0 DBADRM C[C@@H]1NC(C(=O)N(C)c2nnn[n-]2)=NN(c2ccccc2)C1=O ZINC001434232528 1002332117 /nfs/dbraw/zinc/33/21/17/1002332117.db2.gz SFEDAWLSPNEWDK-QMMMGPOBSA-N -1 0 314.309 -0.499 20 0 DBADRM CN(C(=O)CNC(=O)c1ccc2c(c1)OCO2)c1nnn[n-]1 ZINC001434230243 1002332875 /nfs/dbraw/zinc/33/28/75/1002332875.db2.gz DAOBUEXJRBAZBZ-UHFFFAOYSA-N -1 0 304.266 -0.679 20 0 DBADRM C[C@@H](O)[C@H](O)CNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001434237784 1002335258 /nfs/dbraw/zinc/33/52/58/1002335258.db2.gz ANRMKVMDHYKYFR-HTRCEHHLSA-N -1 0 324.255 -0.070 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCCN(C)S1(=O)=O)C(=O)[O-] ZINC001591866025 1016605024 /nfs/dbraw/zinc/60/50/24/1016605024.db2.gz GHINXPRWVLALDR-JTQLQIEISA-N -1 0 307.372 -0.906 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC[C@H]2CCNC(=O)[C@H]21)C(=O)[O-] ZINC001591865867 1016605734 /nfs/dbraw/zinc/60/57/34/1016605734.db2.gz DBBIJXWVKCVQMD-DRZSPHRISA-N -1 0 311.382 -0.188 20 0 DBADRM CN(C(=O)c1cccc(-c2nc(=O)o[n-]2)c1)C1CS(=O)(=O)C1 ZINC001434251552 1002346040 /nfs/dbraw/zinc/34/60/40/1002346040.db2.gz RYLXIZLYQCYYAL-UHFFFAOYSA-N -1 0 323.330 -0.101 20 0 DBADRM O=C(c1cc2c(cc1O)OCO2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001434275369 1002351544 /nfs/dbraw/zinc/35/15/44/1002351544.db2.gz NNQWPJXTZZYFHK-MRVPVSSYSA-N -1 0 319.277 -0.152 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccoc1Cl ZINC001425737662 1002351590 /nfs/dbraw/zinc/35/15/90/1002351590.db2.gz POVCBOTWQYCQCY-ZCFIWIBFSA-N -1 0 315.717 -0.363 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N2CCOC[C@@H]2c2nnn[n-]2)C1 ZINC001434274908 1002353812 /nfs/dbraw/zinc/35/38/12/1002353812.db2.gz KRQWPIAONOWXDK-VHSXEESVSA-N -1 0 308.342 -0.642 20 0 DBADRM CC(C)(CNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)N1CCCC1 ZINC001434279550 1002355112 /nfs/dbraw/zinc/35/51/12/1002355112.db2.gz WRRZSCRECMLQLC-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@H]1CCNC(=O)CC1)C(=O)[O-] ZINC001591877618 1016609121 /nfs/dbraw/zinc/60/91/21/1016609121.db2.gz GJFVOAWSNNCBSV-SKDRFNHKSA-N -1 0 314.338 -0.329 20 0 DBADRM CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001414400818 1002360468 /nfs/dbraw/zinc/36/04/68/1002360468.db2.gz QBBHLTGISRNVTH-VXNVDRBHSA-N -1 0 309.326 -0.483 20 0 DBADRM O=C([C@H]1CCc2nnnn2CC1)N1CCC(c2nnn[n-]2)CC1 ZINC001434300274 1002363490 /nfs/dbraw/zinc/36/34/90/1002363490.db2.gz KEMHHOFONOFUIN-JTQLQIEISA-N -1 0 317.357 -0.455 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)Cn2cnc(N)n2)C1 ZINC001434299548 1002364377 /nfs/dbraw/zinc/36/43/77/1002364377.db2.gz INMVIAMDQYZLSG-JTQLQIEISA-N -1 0 320.275 -0.470 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)co1 ZINC001434314176 1002372437 /nfs/dbraw/zinc/37/24/37/1002372437.db2.gz FSMPUSAVRPFHKM-ZETCQYMHSA-N -1 0 311.323 -0.174 20 0 DBADRM CC1(Cn2cc(C(=O)N3CC[C@@H](c4nnn[n-]4)C3)nn2)COC1 ZINC001434314185 1002373206 /nfs/dbraw/zinc/37/32/06/1002373206.db2.gz FXNDTLFEVFKSCE-SECBINFHSA-N -1 0 318.341 -0.543 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC001414445517 1002373389 /nfs/dbraw/zinc/37/33/89/1002373389.db2.gz DGPYVUYIOINMFN-GMTAPVOTSA-N -1 0 312.374 -0.198 20 0 DBADRM CN1C(=O)COc2cccc(NC(=O)c3n[nH]c(=O)[n-]c3=O)c21 ZINC001434317122 1002374879 /nfs/dbraw/zinc/37/48/79/1002374879.db2.gz SDRTYPKIPYGGBD-UHFFFAOYSA-N -1 0 317.261 -0.110 20 0 DBADRM CCCNC(=O)[C@H]1CCCN(C(=O)N=c2nn[n-]n2CC)C1 ZINC001414446619 1002375691 /nfs/dbraw/zinc/37/56/91/1002375691.db2.gz GEVKPOZCLAVQBG-JTQLQIEISA-N -1 0 309.374 -0.115 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)N=c2nn[n-]n2CC)[C@@]12CCCO2 ZINC001414447451 1002376074 /nfs/dbraw/zinc/37/60/74/1002376074.db2.gz MRXYHMDEDSBLAL-BREBYQMCSA-N -1 0 310.358 -0.037 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@H](C)N1CCN(C)CC1 ZINC001434328048 1002387809 /nfs/dbraw/zinc/38/78/09/1002387809.db2.gz RHUOSTILPRZLQX-LBPRGKRZSA-N -1 0 309.418 -0.180 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N[C@@H](CO)c2cnn(C)c2)n1 ZINC001591892251 1016613563 /nfs/dbraw/zinc/61/35/63/1016613563.db2.gz UAADWYXTGIMCGS-JTQLQIEISA-N -1 0 301.314 -0.156 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1ocnc1C(=O)[O-] ZINC001591905506 1016615422 /nfs/dbraw/zinc/61/54/22/1016615422.db2.gz WHZGQKVOGSZWGH-QMMMGPOBSA-N -1 0 319.339 -0.437 20 0 DBADRM CC(C)[C@H](O)C(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-] ZINC001591905205 1016616446 /nfs/dbraw/zinc/61/64/46/1016616446.db2.gz AHBQZTPGLBVZKR-NGZCFLSTSA-N -1 0 318.395 -0.116 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)NC2(c3nnn[n-]3)CCC2)n1 ZINC001434358414 1002414310 /nfs/dbraw/zinc/41/43/10/1002414310.db2.gz BJWMTRVYMJKPAH-UHFFFAOYSA-N -1 0 305.346 -0.321 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@@H](O)c1cncs1 ZINC001434364380 1002415733 /nfs/dbraw/zinc/41/57/33/1002415733.db2.gz FVHNXRWURORALS-RXMQYKEDSA-N -1 0 301.353 -0.091 20 0 DBADRM COC[C@@H](NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1)c1nnn[n-]1 ZINC001434365587 1002419040 /nfs/dbraw/zinc/41/90/40/1002419040.db2.gz YFTOHLPCIPUDCV-MNOVXSKESA-N -1 0 320.357 -0.193 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC001434377419 1002430695 /nfs/dbraw/zinc/43/06/95/1002430695.db2.gz DLEMFQYIANKLOS-TUNFGDKVSA-N -1 0 313.375 -0.197 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001434387020 1002437016 /nfs/dbraw/zinc/43/70/16/1002437016.db2.gz OQIAGUASDYFJIS-VIFPVBQESA-N -1 0 314.319 -0.573 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(C(=O)c2c[n-]ncc2=O)CCO1 ZINC001434399926 1002448401 /nfs/dbraw/zinc/44/84/01/1002448401.db2.gz LJAACSSOEMCCPB-MRVPVSSYSA-N -1 0 301.324 -0.932 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001434402658 1002452164 /nfs/dbraw/zinc/45/21/64/1002452164.db2.gz NBHRDCGLLPXBBX-XUTVFYLZSA-N -1 0 308.294 -0.400 20 0 DBADRM CC(C)c1nc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])no1 ZINC001592019600 1016623078 /nfs/dbraw/zinc/62/30/78/1016623078.db2.gz HLLPSRSOUVJUHP-MRVPVSSYSA-N -1 0 303.340 -0.123 20 0 DBADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001434423129 1002464079 /nfs/dbraw/zinc/46/40/79/1002464079.db2.gz VJKZOEMTNHKSOR-BDAKNGLRSA-N -1 0 307.306 -0.009 20 0 DBADRM CC(C)c1nc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])no1 ZINC001592019601 1016624979 /nfs/dbraw/zinc/62/49/79/1016624979.db2.gz HLLPSRSOUVJUHP-QMMMGPOBSA-N -1 0 303.340 -0.123 20 0 DBADRM COC(=O)c1c(NC(=O)c2cnccn2)n[n-]c1OCCO ZINC001434436145 1002472270 /nfs/dbraw/zinc/47/22/70/1002472270.db2.gz DWQFATJYAWQBJD-UHFFFAOYSA-N -1 0 307.266 -0.390 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@H](C)C(=O)[O-])ccc1-c1nn[nH]n1 ZINC001592066026 1016626947 /nfs/dbraw/zinc/62/69/47/1016626947.db2.gz MYTNWQZGNDLIQB-SSDOTTSWSA-N -1 0 311.323 -0.073 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001592103609 1016628411 /nfs/dbraw/zinc/62/84/11/1016628411.db2.gz JYXKMKORNUQPSM-UHFFFAOYSA-N -1 0 316.281 -0.183 20 0 DBADRM CC(C)n1cnnc1CN(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001592148880 1016630321 /nfs/dbraw/zinc/63/03/21/1016630321.db2.gz XFZWVXFWIUIXQC-UHFFFAOYSA-N -1 0 319.387 -0.058 20 0 DBADRM CC(C)n1cnnc1CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001592148812 1016632811 /nfs/dbraw/zinc/63/28/11/1016632811.db2.gz SSKZBKDTDRCIBC-JTQLQIEISA-N -1 0 323.353 -0.202 20 0 DBADRM CC[C@](C)([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)OC ZINC001434549622 1002520158 /nfs/dbraw/zinc/52/01/58/1002520158.db2.gz OXPDFVWNMVYHRM-YYSFKGJASA-N -1 0 315.417 -0.263 20 0 DBADRM C[C@H](C1CC1)n1cc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])cn1 ZINC001592180617 1016633897 /nfs/dbraw/zinc/63/38/97/1016633897.db2.gz IPSRCWWSIBUTLA-LDYMZIIASA-N -1 0 324.337 -0.256 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@H]1CCC2(CCC2)O1 ZINC001434564938 1002529146 /nfs/dbraw/zinc/52/91/46/1002529146.db2.gz IJZZIMCNYUVLMB-NXEZZACHSA-N -1 0 307.368 -0.459 20 0 DBADRM COC(=O)c1ccnc(S(=O)(=O)[N-]N2CCCNC2=O)c1 ZINC001434567442 1002533407 /nfs/dbraw/zinc/53/34/07/1002533407.db2.gz NENRHWRYJYWTTB-UHFFFAOYSA-N -1 0 314.323 -0.523 20 0 DBADRM Cc1ccn(CN2CC[C@H](CC(N)=O)C2)c(=O)c1-c1nnn[n-]1 ZINC001592268236 1016641009 /nfs/dbraw/zinc/64/10/09/1016641009.db2.gz ZXMKKXKQEOHUTR-SNVBAGLBSA-N -1 0 317.353 -0.508 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@@H](C)OC2=O)n[nH]1 ZINC001434571418 1002535851 /nfs/dbraw/zinc/53/58/51/1002535851.db2.gz FWKLSFGCGYQSSD-IYSWYEEDSA-N -1 0 303.296 -0.821 20 0 DBADRM COCC[C@@H](COC)NS(=O)(=O)c1cc(C(=O)OC)[nH]n1 ZINC001434574273 1002537393 /nfs/dbraw/zinc/53/73/93/1002537393.db2.gz OARBOINXIRDQKR-QMMMGPOBSA-N -1 0 321.355 -0.474 20 0 DBADRM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)C[C@@H]1CC2(CCC2)CO1 ZINC001434576091 1002539493 /nfs/dbraw/zinc/53/94/93/1002539493.db2.gz AOLPERHWGAJNPX-JQWIXIFHSA-N -1 0 321.395 -0.211 20 0 DBADRM C[C@@H](C1CC1)n1cc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])cn1 ZINC001592180616 1016635763 /nfs/dbraw/zinc/63/57/63/1016635763.db2.gz IPSRCWWSIBUTLA-KWQFWETISA-N -1 0 324.337 -0.256 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC001592189731 1016636242 /nfs/dbraw/zinc/63/62/42/1016636242.db2.gz BNSKLYBCGGTFTK-ZBJFTSOASA-N -1 0 304.368 -0.197 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]N1CCCC1=O ZINC001434586940 1002547571 /nfs/dbraw/zinc/54/75/71/1002547571.db2.gz URSVLBAUTVUCOL-UHFFFAOYSA-N -1 0 302.312 -0.680 20 0 DBADRM CS(=O)(=O)NC1CN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC001434588595 1002549689 /nfs/dbraw/zinc/54/96/89/1002549689.db2.gz OVLHOGXBRNOSOY-UHFFFAOYSA-N -1 0 324.355 -0.547 20 0 DBADRM CC[C@H](F)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001414795415 1002554632 /nfs/dbraw/zinc/55/46/32/1002554632.db2.gz VXKPLEBTZCLYEW-RQJHMYQMSA-N -1 0 313.289 -0.638 20 0 DBADRM C[C@H](CC(=O)NCC(=O)NCC(=O)[O-])NC(=O)C1CCCC1 ZINC001592246809 1016637880 /nfs/dbraw/zinc/63/78/80/1016637880.db2.gz WSAYVZBAUKDRJJ-SECBINFHSA-N -1 0 313.354 -0.612 20 0 DBADRM CCOC1(CS(=O)(=O)[N-]c2nnn(C)n2)CCOCC1 ZINC001434613508 1002555444 /nfs/dbraw/zinc/55/54/44/1002555444.db2.gz RWUNCEOILYZOOU-UHFFFAOYSA-N -1 0 305.360 -0.463 20 0 DBADRM Cc1ccn(CC(=O)N2CCO[C@@H](C)C2)c(=O)c1-c1nnn[n-]1 ZINC001592265451 1016638164 /nfs/dbraw/zinc/63/81/64/1016638164.db2.gz ZTMCICYJJVJPMV-JTQLQIEISA-N -1 0 318.337 -0.416 20 0 DBADRM Cc1cccc(S(=O)(=O)N2CC(C(=O)[O-])C2)c1-c1nn[nH]n1 ZINC001592239445 1016638419 /nfs/dbraw/zinc/63/84/19/1016638419.db2.gz OVTXPMIJTRFVEI-UHFFFAOYSA-N -1 0 323.334 -0.120 20 0 DBADRM C[C@@H](CC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-])c1cnn(C)c1 ZINC001592226743 1016638598 /nfs/dbraw/zinc/63/85/98/1016638598.db2.gz IAIRZSAXUXUVIM-GXSJLCMTSA-N -1 0 308.338 -0.333 20 0 DBADRM C[C@@H](CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])c1cnn(C)c1 ZINC001592237314 1016638810 /nfs/dbraw/zinc/63/88/10/1016638810.db2.gz XKKYPYJBGPAMCV-ONGXEEELSA-N -1 0 308.338 -0.285 20 0 DBADRM C[C@H](CC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-])NC(N)=O ZINC001592243306 1016639215 /nfs/dbraw/zinc/63/92/15/1016639215.db2.gz VAIDULXLNQWTCK-SFYZADRCSA-N -1 0 303.315 -0.844 20 0 DBADRM Cc1cnc(COC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)nc1 ZINC001592293597 1016641383 /nfs/dbraw/zinc/64/13/83/1016641383.db2.gz AHRJWLUULWDZGC-QMMMGPOBSA-N -1 0 315.297 -0.139 20 0 DBADRM O=C(CC1CC1)N[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001414878161 1002578912 /nfs/dbraw/zinc/57/89/12/1002578912.db2.gz GKYLLSDSXFAUMF-VIFPVBQESA-N -1 0 321.337 -0.293 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1nc(C(F)(F)F)no1 ZINC001434730094 1002579696 /nfs/dbraw/zinc/57/96/96/1002579696.db2.gz OGBOOYPUAWXVSU-UHFFFAOYSA-N -1 0 306.208 -0.162 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC001434730450 1002580148 /nfs/dbraw/zinc/58/01/48/1002580148.db2.gz UJYJTODOYSPGSY-HTQZYQBOSA-N -1 0 302.360 -0.798 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H](O)c1c(C)nn(C)c1C ZINC001434729389 1002580785 /nfs/dbraw/zinc/58/07/85/1002580785.db2.gz DEWANJPGRGHSQD-VIFPVBQESA-N -1 0 308.346 -0.680 20 0 DBADRM Cc1ccn(CN2CCC(C(N)=O)CC2)c(=O)c1-c1nnn[n-]1 ZINC001592266313 1016643488 /nfs/dbraw/zinc/64/34/88/1016643488.db2.gz AEEZHBBYQVEIBJ-UHFFFAOYSA-N -1 0 317.353 -0.508 20 0 DBADRM CC[C@H](F)C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001414977600 1002617133 /nfs/dbraw/zinc/61/71/33/1002617133.db2.gz NMTKAMBVEUFSTA-FXQIFTODSA-N -1 0 315.305 -0.799 20 0 DBADRM CCCCC(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001414991132 1002622952 /nfs/dbraw/zinc/62/29/52/1002622952.db2.gz OENYRGVTZHUWQS-DTORHVGOSA-N -1 0 311.342 -0.357 20 0 DBADRM Cc1nc(-c2nnn[n-]2)c(N2CCC(C(=O)NCCO)CC2)o1 ZINC001592338367 1016648728 /nfs/dbraw/zinc/64/87/28/1016648728.db2.gz MVCJRUJJFYWGHE-UHFFFAOYSA-N -1 0 321.341 -0.512 20 0 DBADRM CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001415068517 1002649046 /nfs/dbraw/zinc/64/90/46/1002649046.db2.gz LYAORWSRZFFHOB-JZYVYDRUSA-N -1 0 309.326 -0.938 20 0 DBADRM Cn1[n-]nnc1=NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1 ZINC001435685203 1002660186 /nfs/dbraw/zinc/66/01/86/1002660186.db2.gz YEAIEETWHIJLID-UHFFFAOYSA-N -1 0 317.284 -0.107 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC(NS(N)(=O)=O)CC1 ZINC001592375465 1016654584 /nfs/dbraw/zinc/65/45/84/1016654584.db2.gz MWIGJPFQRFUUJL-QMMMGPOBSA-N -1 0 307.372 -0.729 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N(CCO)CCN1CCOCC1 ZINC001592371570 1016655489 /nfs/dbraw/zinc/65/54/89/1016655489.db2.gz UXJPPANXUBDPHF-GFCCVEGCSA-N -1 0 302.371 -0.360 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)NC[C@]1(CO)COCC2(CCC2)N1C ZINC001592351021 1016655721 /nfs/dbraw/zinc/65/57/21/1016655721.db2.gz AUYDELWVSNKBAK-NHYWBVRUSA-N -1 0 314.382 -0.171 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C ZINC001592351019 1016655745 /nfs/dbraw/zinc/65/57/45/1016655745.db2.gz AUYDELWVSNKBAK-IAQYHMDHSA-N -1 0 314.382 -0.171 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)NCC(=O)NCCN1CCOCC1 ZINC001592385324 1016655863 /nfs/dbraw/zinc/65/58/63/1016655863.db2.gz NNNCVJDOYLAYRI-NSHDSACASA-N -1 0 315.370 -0.948 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)O[C@H](C)C(=O)NCCN1CCOCC1 ZINC001592366911 1016655900 /nfs/dbraw/zinc/65/59/00/1016655900.db2.gz FIUDKTOOPPXVCV-GHMZBOCLSA-N -1 0 316.354 -0.523 20 0 DBADRM Cc1nc([C@@H](C)NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)no1 ZINC001592354913 1016656031 /nfs/dbraw/zinc/65/60/31/1016656031.db2.gz VCXJJKSVIABIKV-PHDIDXHHSA-N -1 0 318.301 -0.412 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC(NS(N)(=O)=O)CC1 ZINC001592375464 1016656160 /nfs/dbraw/zinc/65/61/60/1016656160.db2.gz MWIGJPFQRFUUJL-MRVPVSSYSA-N -1 0 307.372 -0.729 20 0 DBADRM CCC(=O)NC1CC(N(C)C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001426123054 1002695371 /nfs/dbraw/zinc/69/53/71/1002695371.db2.gz NCECUBZYUKHSRD-UHFFFAOYSA-N -1 0 323.353 -0.269 20 0 DBADRM Cc1ncc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)s1 ZINC001592409952 1016657452 /nfs/dbraw/zinc/65/74/52/1016657452.db2.gz PCSKANVHMGMUJE-UHFFFAOYSA-N -1 0 305.327 -0.460 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)CCn2cncn2)c1[O-] ZINC001415141306 1002697091 /nfs/dbraw/zinc/69/70/91/1002697091.db2.gz GYQMYWNUMCEPGT-MRVPVSSYSA-N -1 0 321.341 -0.660 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC001592410281 1016658525 /nfs/dbraw/zinc/65/85/25/1016658525.db2.gz DTXUHWYANHBHLF-VIFPVBQESA-N -1 0 304.368 -0.962 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001592392147 1016659378 /nfs/dbraw/zinc/65/93/78/1016659378.db2.gz ZOFBKONQWOJWFH-ZETCQYMHSA-N -1 0 318.355 -0.534 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001436464879 1002719936 /nfs/dbraw/zinc/71/99/36/1002719936.db2.gz NGKZOHSMMJJWHR-XKSSXDPKSA-N -1 0 310.358 -0.886 20 0 DBADRM Cc1nn(C[C@H](O)COC(C)C)c(=O)c(-c2nnn[n-]2)c1C ZINC001592437022 1016667947 /nfs/dbraw/zinc/66/79/47/1016667947.db2.gz HJCCNDGZEWXDSE-JTQLQIEISA-N -1 0 308.342 -0.174 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H](C)C1CC1 ZINC001415226652 1002759465 /nfs/dbraw/zinc/75/94/65/1002759465.db2.gz VPQOUALMOXDKSJ-RQJHMYQMSA-N -1 0 309.326 -0.437 20 0 DBADRM O=C(CC1CC1)NCC1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001426348946 1002768454 /nfs/dbraw/zinc/76/84/54/1002768454.db2.gz ONTQIGXKQGZMTF-UHFFFAOYSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@H](C[C@@H](C)Nc1ccnc(C(=O)[O-])n1)NC(=O)c1cnon1 ZINC001592454626 1016673348 /nfs/dbraw/zinc/67/33/48/1016673348.db2.gz YCKBNFMAQBNXGS-HTQZYQBOSA-N -1 0 320.309 -0.011 20 0 DBADRM Cc1nnc(Cn2c(=O)c(-c3nnn[n-]3)c(C)n(C)c2=O)s1 ZINC001592443417 1016670076 /nfs/dbraw/zinc/67/00/76/1016670076.db2.gz FDCFKEVSQIUXPO-UHFFFAOYSA-N -1 0 320.338 -0.756 20 0 DBADRM O=C(CCc1c[nH]cn1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001436724834 1002780456 /nfs/dbraw/zinc/78/04/56/1002780456.db2.gz AOWGDRJZNHOUHB-SNVBAGLBSA-N -1 0 305.342 -0.443 20 0 DBADRM CC(C)CC(=O)N[C@H](C)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001426395402 1002784745 /nfs/dbraw/zinc/78/47/45/1002784745.db2.gz DHTAJEJYMGLKPP-BDAKNGLRSA-N -1 0 313.358 -0.255 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001592454717 1016672476 /nfs/dbraw/zinc/67/24/76/1016672476.db2.gz RAKIADUVOMJMKG-SCZZXKLOSA-N -1 0 321.337 -0.301 20 0 DBADRM C[C@@H](C[C@H](C)Nc1ccnc(C(=O)[O-])n1)NC(=O)c1cnon1 ZINC001592454629 1016674720 /nfs/dbraw/zinc/67/47/20/1016674720.db2.gz YCKBNFMAQBNXGS-YUMQZZPRSA-N -1 0 320.309 -0.011 20 0 DBADRM C[C@@H](CCCCO)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001592485208 1016674844 /nfs/dbraw/zinc/67/48/44/1016674844.db2.gz OHSVNXXUWQRHFV-QWRGUYRKSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H](C)NC(=O)C1(C)CC1 ZINC001426469089 1002806253 /nfs/dbraw/zinc/80/62/53/1002806253.db2.gz HFFGJRFNHYYRFK-RNFRBKRXSA-N -1 0 309.326 -0.294 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)NC(=O)C1(C)CC1 ZINC001426469096 1002806775 /nfs/dbraw/zinc/80/67/75/1002806775.db2.gz HFFGJRFNHYYRFK-RQJHMYQMSA-N -1 0 309.326 -0.294 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H](C)C1CC1 ZINC001415412539 1002828497 /nfs/dbraw/zinc/82/84/97/1002828497.db2.gz MNPDEYWOGFKSOQ-SFYZADRCSA-N -1 0 323.353 -0.047 20 0 DBADRM CS[C@@H](C)C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415452157 1002840432 /nfs/dbraw/zinc/84/04/32/1002840432.db2.gz NGHKEPNZTNWABP-LURJTMIESA-N -1 0 315.355 -0.778 20 0 DBADRM NC(=O)CCCC(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001437046180 1002846885 /nfs/dbraw/zinc/84/68/85/1002846885.db2.gz PGPNVTCXXMBTNO-JTQLQIEISA-N -1 0 324.385 -0.363 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)Cc2cc[nH]n2)c1[O-] ZINC001415470519 1002849821 /nfs/dbraw/zinc/84/98/21/1002849821.db2.gz ZACLWVVMJAMVHF-UHFFFAOYSA-N -1 0 306.326 -0.422 20 0 DBADRM C[C@@H](CCNC(=O)Cn1cncn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592513129 1016682841 /nfs/dbraw/zinc/68/28/41/1016682841.db2.gz MSBPJJYRGLDMJC-VIFPVBQESA-N -1 0 319.325 -0.805 20 0 DBADRM CCn1ncc(C(=O)NCCN(C)C(=O)c2n[nH]c(C)c2[O-])n1 ZINC001415488617 1002859540 /nfs/dbraw/zinc/85/95/40/1002859540.db2.gz SLSLDTIDOVIADP-UHFFFAOYSA-N -1 0 321.341 -0.463 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H]1CCC(=O)N1)Nc1ccnc(C(=O)[O-])n1 ZINC001592520815 1016684825 /nfs/dbraw/zinc/68/48/25/1016684825.db2.gz JOHVDVFEDGWTKW-IUCAKERBSA-N -1 0 321.337 -0.818 20 0 DBADRM C[C@H](CCNC(=O)c1cn(C)cn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592520895 1016685159 /nfs/dbraw/zinc/68/51/59/1016685159.db2.gz QTEMSCWJMLJMBV-SECBINFHSA-N -1 0 318.337 -0.049 20 0 DBADRM C[C@@H](CCNC(=O)c1cnn(C)n1)Nc1ccnc(C(=O)[O-])n1 ZINC001592521828 1016685807 /nfs/dbraw/zinc/68/58/07/1016685807.db2.gz ZZMSDNRGALVVKW-QMMMGPOBSA-N -1 0 319.325 -0.654 20 0 DBADRM C[C@@H](CCO)NC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001592529202 1016686309 /nfs/dbraw/zinc/68/63/09/1016686309.db2.gz ARSMUYCEMMVBFQ-ZETCQYMHSA-N -1 0 324.289 -0.061 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)c1cncn1C ZINC001592529473 1016686343 /nfs/dbraw/zinc/68/63/43/1016686343.db2.gz BERCPSAFFTZHGS-VIFPVBQESA-N -1 0 318.337 -0.049 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2csnn2)c1[O-] ZINC001415563615 1002881408 /nfs/dbraw/zinc/88/14/08/1002881408.db2.gz QGQTUXSASWWAGW-UHFFFAOYSA-N -1 0 310.339 -0.223 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C(C)(F)F ZINC001426749198 1002882035 /nfs/dbraw/zinc/88/20/35/1002882035.db2.gz ZCUVIDMCLFXYIX-YFKPBYRVSA-N -1 0 319.268 -0.485 20 0 DBADRM Cc1ccoc1C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415571921 1002884449 /nfs/dbraw/zinc/88/44/49/1002884449.db2.gz XEOLPCYWYUAPFA-UHFFFAOYSA-N -1 0 323.309 -0.521 20 0 DBADRM CC[C@@H](F)C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415570413 1002884903 /nfs/dbraw/zinc/88/49/03/1002884903.db2.gz NXPHIIBCWAZCHX-SSDOTTSWSA-N -1 0 303.294 -0.988 20 0 DBADRM C[C@H](CCO)CCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001592531013 1016688039 /nfs/dbraw/zinc/68/80/39/1016688039.db2.gz QAKXSQBVGDCIQT-WDEREUQCSA-N -1 0 300.355 -0.166 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H]2CCCSC2)c(-c2nnn[n-]2)c1=O ZINC001592546331 1016688956 /nfs/dbraw/zinc/68/89/56/1016688956.db2.gz NAAZUQVIQOWHOW-LURJTMIESA-N -1 0 309.355 -0.027 20 0 DBADRM C[C@@H](CCO)CCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001592531010 1016689051 /nfs/dbraw/zinc/68/90/51/1016689051.db2.gz QAKXSQBVGDCIQT-GHMZBOCLSA-N -1 0 300.355 -0.166 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2C=C[C@H](CO)C2)c(-c2nnn[n-]2)c1=O ZINC001592545077 1016689313 /nfs/dbraw/zinc/68/93/13/1016689313.db2.gz KMSQVWFQEGGBOH-NKWVEPMBSA-N -1 0 305.298 -0.985 20 0 DBADRM Cn1c(=O)[nH]c(N2CCCC(C)(C)C2)c(-c2nnn[n-]2)c1=O ZINC001592544728 1016689338 /nfs/dbraw/zinc/68/93/38/1016689338.db2.gz XLDFHWMRNFLFCN-UHFFFAOYSA-N -1 0 305.342 -0.120 20 0 DBADRM Cn1c(=O)[nH]c(N2CC3(C2)CCCC3)c(-c2nnn[n-]2)c1=O ZINC001592544604 1016689513 /nfs/dbraw/zinc/68/95/13/1016689513.db2.gz ZNIKNRRTGVIMDE-UHFFFAOYSA-N -1 0 303.326 -0.366 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)c1ccn(C)n1 ZINC001592531186 1016689715 /nfs/dbraw/zinc/68/97/15/1016689715.db2.gz UPPIROFLCWHLRL-SECBINFHSA-N -1 0 318.337 -0.049 20 0 DBADRM CC(C)C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001426833933 1002898739 /nfs/dbraw/zinc/89/87/39/1002898739.db2.gz XOUAMUOCRZPNKD-AOOOYVTPSA-N -1 0 322.365 -0.234 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@@H]2CCC=CO2)c(-c2nnn[n-]2)c1=O ZINC001592546353 1016690088 /nfs/dbraw/zinc/69/00/88/1016690088.db2.gz NUFGJXMYPNHVGB-ZETCQYMHSA-N -1 0 305.298 -0.229 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@@H]2CCC[C@H]2O)c(-c2nnn[n-]2)c1=O ZINC001592545555 1016690290 /nfs/dbraw/zinc/69/02/90/1016690290.db2.gz DJSRSANEZDEIDH-NKWVEPMBSA-N -1 0 307.314 -0.761 20 0 DBADRM Cn1c(=O)[nH]c(N2CC(C)(C)C2(C)C)c(-c2nnn[n-]2)c1=O ZINC001592544632 1016690388 /nfs/dbraw/zinc/69/03/88/1016690388.db2.gz ZSKBCLUPDCKSOO-UHFFFAOYSA-N -1 0 305.342 -0.122 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC(F)CC2)n(C)c1=O ZINC001592553207 1016691854 /nfs/dbraw/zinc/69/18/54/1016691854.db2.gz FSDQANKIOKWGGB-UHFFFAOYSA-N -1 0 309.305 -0.798 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C)C(=O)c1cnc([O-])n(C)c1=O ZINC001415640891 1002920712 /nfs/dbraw/zinc/92/07/12/1002920712.db2.gz DZZFYNIDMFBCCO-VHSXEESVSA-N -1 0 322.365 -0.280 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2CSC2(C)C)c(-c2nnn[n-]2)c1=O ZINC001592546947 1016694229 /nfs/dbraw/zinc/69/42/29/1016694229.db2.gz XYMNDSLDLBYAQU-RXMQYKEDSA-N -1 0 309.355 -0.028 20 0 DBADRM Cn1cc(Cl)c(CNCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001592573772 1016705470 /nfs/dbraw/zinc/70/54/70/1016705470.db2.gz VYJNPAGXXBBZFN-UHFFFAOYSA-N -1 0 308.737 -0.365 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001592568154 1016705960 /nfs/dbraw/zinc/70/59/60/1016705960.db2.gz LIAOVYPLOQUDAD-CBAPKCEASA-N -1 0 322.325 -0.885 20 0 DBADRM Cn1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cn1 ZINC001592573098 1016706567 /nfs/dbraw/zinc/70/65/67/1016706567.db2.gz NMTDUQQBWRDOIV-UHFFFAOYSA-N -1 0 309.311 -0.328 20 0 DBADRM CCCN(CCNC(C)=O)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001415772061 1003007167 /nfs/dbraw/zinc/00/71/67/1003007167.db2.gz LSCMSFQMIQDQAQ-UHFFFAOYSA-N -1 0 313.358 -0.156 20 0 DBADRM Cn1cc(CNC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)nn1 ZINC001592572395 1016708043 /nfs/dbraw/zinc/70/80/43/1016708043.db2.gz MNXIPEVLUPVPNH-UHFFFAOYSA-N -1 0 300.282 -0.369 20 0 DBADRM Cn1cc(CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC001415809455 1003015423 /nfs/dbraw/zinc/01/54/23/1003015423.db2.gz AFRIYOFTIFGZFW-UHFFFAOYSA-N -1 0 305.342 -0.869 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C(=O)c2cnon2)C2CC2)c1[O-] ZINC001415850573 1003031342 /nfs/dbraw/zinc/03/13/42/1003031342.db2.gz ICBQPBKSUZBGCQ-UHFFFAOYSA-N -1 0 320.309 -0.159 20 0 DBADRM C[C@@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)CCCC(N)=O ZINC001592594171 1016715613 /nfs/dbraw/zinc/71/56/13/1016715613.db2.gz VACOVEWUGQCIPW-VIFPVBQESA-N -1 0 323.353 -0.229 20 0 DBADRM COc1ncc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001437537179 1003055031 /nfs/dbraw/zinc/05/50/31/1003055031.db2.gz LKQOUVKPQCYZMT-UHFFFAOYSA-N -1 0 307.314 -0.829 20 0 DBADRM C[C@@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)c1ncn(C)n1 ZINC001592594149 1016715887 /nfs/dbraw/zinc/71/58/87/1016715887.db2.gz STZGPLHWBLQKEK-QMMMGPOBSA-N -1 0 319.325 -0.442 20 0 DBADRM Cn1cnc(S(=O)(=O)Oc2cccnc2-c2nnn[n-]2)c1 ZINC001592588970 1016716021 /nfs/dbraw/zinc/71/60/21/1016716021.db2.gz MCUXNQGRMNLLGQ-UHFFFAOYSA-N -1 0 307.295 -0.237 20 0 DBADRM O=C(N[C@H]1C[C@H](CNC(=O)C(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC001427285738 1003069654 /nfs/dbraw/zinc/06/96/54/1003069654.db2.gz FJIZDXXXRDPICX-URHBZAFASA-N -1 0 317.252 -0.828 20 0 DBADRM CCN(CCNC(=O)c1ncccc1O)Cc1n[nH]c(=O)[n-]1 ZINC001437595739 1003084370 /nfs/dbraw/zinc/08/43/70/1003084370.db2.gz ZWYNFSQBCLPXMH-UHFFFAOYSA-N -1 0 306.326 -0.137 20 0 DBADRM CCc1c[nH]c(CC(=O)NCCN(CC)Cc2n[nH]c(=O)[n-]2)n1 ZINC001437598766 1003088236 /nfs/dbraw/zinc/08/82/36/1003088236.db2.gz ZCCCEKWMEPQIAN-UHFFFAOYSA-N -1 0 321.385 -0.023 20 0 DBADRM C[C@H](CN1CCOCC1)N(C)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001592623238 1016730390 /nfs/dbraw/zinc/73/03/90/1016730390.db2.gz FIWKRURBCRVRHZ-LLVKDONJSA-N -1 0 310.354 -0.240 20 0 DBADRM CCN(CCNC(=O)[C@]1(C)CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001437616974 1003093362 /nfs/dbraw/zinc/09/33/62/1003093362.db2.gz AZEUOLZPCQBQTL-ZDUSSCGKSA-N -1 0 310.358 -0.883 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)Cn1cccn1 ZINC001592623705 1016730445 /nfs/dbraw/zinc/73/04/45/1016730445.db2.gz BXLLYPJNZSPKSS-GHMZBOCLSA-N -1 0 308.338 -0.432 20 0 DBADRM FC(F)(F)Cc1noc(Cn2cc(-c3nnn[n-]3)nn2)n1 ZINC001592615519 1016730578 /nfs/dbraw/zinc/73/05/78/1016730578.db2.gz BEPNPGLCYFTHBN-UHFFFAOYSA-N -1 0 301.192 -0.006 20 0 DBADRM CCN(CCNC(=O)Cc1cnn(CC)c1)Cc1n[nH]c(=O)[n-]1 ZINC001437640681 1003103544 /nfs/dbraw/zinc/10/35/44/1003103544.db2.gz COOCMBIIKFEEAW-UHFFFAOYSA-N -1 0 321.385 -0.093 20 0 DBADRM Cc1nnc(CC(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)o1 ZINC001437658124 1003119636 /nfs/dbraw/zinc/11/96/36/1003119636.db2.gz MOSCPKYMJGLCIN-VIFPVBQESA-N -1 0 321.341 -0.475 20 0 DBADRM CN(C(=O)CCOC(=O)CNC(=O)C(C)(C)C)c1nnn[n-]1 ZINC001437664065 1003120414 /nfs/dbraw/zinc/12/04/14/1003120414.db2.gz GNCRBGWFVGVSNQ-UHFFFAOYSA-N -1 0 312.330 -0.742 20 0 DBADRM CCn1c(=O)[nH]c2cc(C(=O)N(C)c3nnn[n-]3)ccc2c1=O ZINC001437663911 1003121858 /nfs/dbraw/zinc/12/18/58/1003121858.db2.gz FKTXITQLMHCARF-UHFFFAOYSA-N -1 0 315.293 -0.088 20 0 DBADRM C[C@H](CN(c1nnnn1CCN1CCOCC1)C1CC1)C(=O)[O-] ZINC001592609797 1016727038 /nfs/dbraw/zinc/72/70/38/1016727038.db2.gz OHGCNKRGKQJQJS-LLVKDONJSA-N -1 0 324.385 -0.305 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)Cn1cccn1 ZINC001592624956 1016729980 /nfs/dbraw/zinc/72/99/80/1016729980.db2.gz NRSQTQZIOZTUSX-SDDRHHMPSA-N -1 0 322.365 -0.043 20 0 DBADRM CN(CCNC(=O)c1ccco1)C(=O)c1cnc([O-])n(C)c1=O ZINC001495810953 1016730027 /nfs/dbraw/zinc/73/00/27/1016730027.db2.gz JBRMBJUUTJANRT-UHFFFAOYSA-N -1 0 320.305 -0.419 20 0 DBADRM CC[C@H](C)C(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001416069861 1003145941 /nfs/dbraw/zinc/14/59/41/1003145941.db2.gz HDHKZQRAPLEPSC-QMMMGPOBSA-N -1 0 311.342 -0.690 20 0 DBADRM O=C(Cc1ccon1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001437703203 1003150453 /nfs/dbraw/zinc/15/04/53/1003150453.db2.gz QQUBHOCZMXAHAW-VIFPVBQESA-N -1 0 306.326 -0.321 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001437711023 1003158404 /nfs/dbraw/zinc/15/84/04/1003158404.db2.gz ZQEZGRPFKXGQNW-VHSXEESVSA-N -1 0 320.357 -0.699 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001437711013 1003160471 /nfs/dbraw/zinc/16/04/71/1003160471.db2.gz ZQEZGRPFKXGQNW-NXEZZACHSA-N -1 0 320.357 -0.699 20 0 DBADRM C[C@@H](CN1CCCC1=O)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001592616838 1016731945 /nfs/dbraw/zinc/73/19/45/1016731945.db2.gz BMHORDOAZGYLDZ-JTQLQIEISA-N -1 0 321.333 -0.326 20 0 DBADRM C[C@@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1ncon1 ZINC001592650312 1016733521 /nfs/dbraw/zinc/73/35/21/1016733521.db2.gz BVFKKNPDDHDYRD-DTWKUNHWSA-N -1 0 310.310 -0.388 20 0 DBADRM C[C@@H](CNC(=O)[C@H](C)n1cncn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592636569 1016733590 /nfs/dbraw/zinc/73/35/90/1016733590.db2.gz ZOLIVEWHXVRYQX-IUCAKERBSA-N -1 0 319.325 -0.634 20 0 DBADRM C[C@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1nncn1C ZINC001592650953 1016733764 /nfs/dbraw/zinc/73/37/64/1016733764.db2.gz NGURBHACDIBGMM-NXEZZACHSA-N -1 0 323.353 -0.642 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)Nc1ncc(C(=O)[O-])cn1 ZINC001592648113 1016733848 /nfs/dbraw/zinc/73/38/48/1016733848.db2.gz YXLJKZLXIKFKCT-DTWKUNHWSA-N -1 0 321.337 -0.430 20 0 DBADRM C[C@H](CN1CCOCC1)NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001592625743 1016734343 /nfs/dbraw/zinc/73/43/43/1016734343.db2.gz VECDUXOEICMLOG-SNVBAGLBSA-N -1 0 306.384 -0.509 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])CC(F)F ZINC001592629464 1016734887 /nfs/dbraw/zinc/73/48/87/1016734887.db2.gz JYWUWYIBDYXUEJ-NQMVMOMDSA-N -1 0 322.308 0.000 20 0 DBADRM C[C@@H](CNC(=O)N1CCSC[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC001592663660 1016735749 /nfs/dbraw/zinc/73/57/49/1016735749.db2.gz GWEQYRUEEIKLKZ-DTWKUNHWSA-N -1 0 324.424 -0.121 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001437783761 1003214132 /nfs/dbraw/zinc/21/41/32/1003214132.db2.gz CPKJBGGMLUFTJI-VIFPVBQESA-N -1 0 324.385 -0.494 20 0 DBADRM CCC(=O)NC[C@H](CC)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001416166362 1003219132 /nfs/dbraw/zinc/21/91/32/1003219132.db2.gz UVPHYGXCSWWBND-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM C[C@H](CNC(=O)Nc1ccn(CC(=O)[O-])n1)S(C)(=O)=O ZINC001592683752 1016745272 /nfs/dbraw/zinc/74/52/72/1016745272.db2.gz XZJGRGCEXIFZKS-SSDOTTSWSA-N -1 0 304.328 -0.478 20 0 DBADRM Cc1nc[nH]c1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001437824967 1003241662 /nfs/dbraw/zinc/24/16/62/1003241662.db2.gz ZOIZEPNXLIZCFW-UHFFFAOYSA-N -1 0 305.342 -0.064 20 0 DBADRM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592692142 1016747277 /nfs/dbraw/zinc/74/72/77/1016747277.db2.gz FKLPUHIWBIJSPU-VDAHYXPESA-N -1 0 307.310 -0.787 20 0 DBADRM C[C@H](CNC(=O)c1cnn(C)c1N)Nc1ncc(C(=O)[O-])cn1 ZINC001592706133 1016749645 /nfs/dbraw/zinc/74/96/45/1016749645.db2.gz NMCQQUSKLCIPBX-SSDOTTSWSA-N -1 0 319.325 -0.279 20 0 DBADRM C[C@@H](CNC(=O)c1cnccn1)CNc1ccnc(C(=O)[O-])n1 ZINC001592705286 1016751008 /nfs/dbraw/zinc/75/10/08/1016751008.db2.gz FFLLTFXVNHLNEM-SECBINFHSA-N -1 0 316.321 -0.135 20 0 DBADRM C[C@@H](CNC(=O)c1ncccn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592706857 1016751074 /nfs/dbraw/zinc/75/10/74/1016751074.db2.gz YERKKDVQECHHJB-QMMMGPOBSA-N -1 0 302.294 -0.383 20 0 DBADRM C[C@@H](CNC(=O)c1ccnnc1)Nc1ccnc(C(=O)[O-])n1 ZINC001592701340 1016751289 /nfs/dbraw/zinc/75/12/89/1016751289.db2.gz MGYZJGPFNYKYFX-QMMMGPOBSA-N -1 0 302.294 -0.383 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CCCF ZINC001416264888 1003290499 /nfs/dbraw/zinc/29/04/99/1003290499.db2.gz GAGPJLAZTLIZBA-QMMMGPOBSA-N -1 0 317.321 -0.550 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CC(C)C ZINC001416265464 1003291203 /nfs/dbraw/zinc/29/12/03/1003291203.db2.gz HPMCBYNCNDHCEO-SECBINFHSA-N -1 0 313.358 -0.254 20 0 DBADRM CC(C)[C@H](F)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001495862387 1016760259 /nfs/dbraw/zinc/76/02/59/1016760259.db2.gz WRWILGAMEBADIM-KOLCDFICSA-N -1 0 315.349 -0.179 20 0 DBADRM NC(=O)C1(O)CN(c2nc(-c3nnn[n-]3)c(Cl)s2)C1 ZINC001592719330 1016761874 /nfs/dbraw/zinc/76/18/74/1016761874.db2.gz XYQVELJNSBPDKL-UHFFFAOYSA-N -1 0 301.719 -0.987 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001427770061 1003340600 /nfs/dbraw/zinc/34/06/00/1003340600.db2.gz SXCKTDYIXGGZQR-NXEZZACHSA-N -1 0 308.342 -0.950 20 0 DBADRM C[C@H](CNS(=O)(=O)N(C)CCC(=O)[O-])N1CCCCC1=O ZINC001592716058 1016756151 /nfs/dbraw/zinc/75/61/51/1016756151.db2.gz OPKXYLVDQIOFQE-SNVBAGLBSA-N -1 0 321.399 -0.372 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)CCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001416632642 1003364172 /nfs/dbraw/zinc/36/41/72/1003364172.db2.gz KXZRCRVCHUZOJS-UWVGGRQHSA-N -1 0 322.365 -0.328 20 0 DBADRM CN(CCN(C)C(=O)c1ccc[nH]1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001416637849 1003366453 /nfs/dbraw/zinc/36/64/53/1003366453.db2.gz MFIMNXOIIGGIJC-UHFFFAOYSA-N -1 0 322.325 -0.752 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438193505 1003373486 /nfs/dbraw/zinc/37/34/86/1003373486.db2.gz XTPGZKLCVRCUSB-UWVGGRQHSA-N -1 0 310.358 -0.885 20 0 DBADRM CCn1ncc(C(=O)N2C[C@H](C(=O)OC)CC[C@H]2C(=O)[O-])n1 ZINC001597951019 1017218947 /nfs/dbraw/zinc/21/89/47/1017218947.db2.gz VRNZBKJGOFCMFK-SCZZXKLOSA-N -1 0 310.310 -0.224 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)N(C)C(=O)c1ncn(C)n1 ZINC001592729108 1016772897 /nfs/dbraw/zinc/77/28/97/1016772897.db2.gz LLKIZDALWLDXOB-QMMMGPOBSA-N -1 0 319.325 -0.124 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001592730478 1016778313 /nfs/dbraw/zinc/77/83/13/1016778313.db2.gz WIKLHIPKQANRDT-SCZZXKLOSA-N -1 0 321.337 -0.288 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)NC(C)(CO)CO)cn1 ZINC001592733779 1016782048 /nfs/dbraw/zinc/78/20/48/1016782048.db2.gz FEDQBURLMRWTPI-UHFFFAOYSA-N -1 0 300.315 -0.432 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(C)F ZINC001416783680 1003515584 /nfs/dbraw/zinc/51/55/84/1003515584.db2.gz ZUVPIPNYGBFENW-RXMQYKEDSA-N -1 0 301.278 -0.735 20 0 DBADRM C[C@](CO)(NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-] ZINC001592733861 1016782254 /nfs/dbraw/zinc/78/22/54/1016782254.db2.gz JAHIQAGQGLZMGL-YMTOWFKASA-N -1 0 310.306 -0.420 20 0 DBADRM NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592735371 1016782846 /nfs/dbraw/zinc/78/28/46/1016782846.db2.gz OLXPEZADNKFUNN-ZCFIWIBFSA-N -1 0 312.311 -0.902 20 0 DBADRM C[C@](CO)(NC(=O)CN1CCc2ccccc2C1=O)C(=O)[O-] ZINC001592742796 1016783525 /nfs/dbraw/zinc/78/35/25/1016783525.db2.gz QWPDWTIAZOFSLG-OAHLLOKOSA-N -1 0 306.318 -0.363 20 0 DBADRM C[C@@](CO)(NC(=O)CNC(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC001592741919 1016783637 /nfs/dbraw/zinc/78/36/37/1016783637.db2.gz LQJGVJZMUIGBEY-ZDUSSCGKSA-N -1 0 316.260 -0.354 20 0 DBADRM C[C@@](CO)(NC(=O)c1cccc(N2C(=O)CCC2=O)c1)C(=O)[O-] ZINC001592743226 1016784109 /nfs/dbraw/zinc/78/41/09/1016784109.db2.gz CBPNVAGXVFQBJX-HNNXBMFYSA-N -1 0 320.301 -0.095 20 0 DBADRM C[C@@](CO)(NC(=O)[C@@H]1Cc2cc(F)ccc2NC1=O)C(=O)[O-] ZINC001592741087 1016784897 /nfs/dbraw/zinc/78/48/97/1016784897.db2.gz FQHXXEUKTHOMNF-OTYXRUKQSA-N -1 0 310.281 -0.112 20 0 DBADRM C[C@](CO)(NC(=O)Cn1cc(-c2ccccc2)nn1)C(=O)[O-] ZINC001592739690 1016784986 /nfs/dbraw/zinc/78/49/86/1016784986.db2.gz PYHMYQODECZVAG-CQSZACIVSA-N -1 0 304.306 -0.103 20 0 DBADRM C[C@@](CO)(NC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C(=O)[O-] ZINC001592739661 1016786262 /nfs/dbraw/zinc/78/62/62/1016786262.db2.gz PEIGQSWUMZKTKM-AWEZNQCLSA-N -1 0 309.322 -0.184 20 0 DBADRM C[C@](CO)(NC(=O)C[C@H](NC(N)=O)c1ccccc1)C(=O)[O-] ZINC001592744084 1016787204 /nfs/dbraw/zinc/78/72/04/1016787204.db2.gz YIFXESALBJHXMJ-IINYFYTJSA-N -1 0 309.322 -0.262 20 0 DBADRM CCCC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001428009209 1003550651 /nfs/dbraw/zinc/55/06/51/1003550651.db2.gz OCZYSHWELKPEGN-IUCAKERBSA-N -1 0 311.342 -0.405 20 0 DBADRM NS(=O)(=O)CCn1cc(-c2nnn[n-]2)c(=O)c2ccccc21 ZINC001592746698 1016788778 /nfs/dbraw/zinc/78/87/78/1016788778.db2.gz QTZRZIKCNOMMJF-UHFFFAOYSA-N -1 0 320.334 -0.530 20 0 DBADRM C[C@](CO)(NS(=O)(=O)CCOCc1ccccc1)C(=O)[O-] ZINC001592751215 1016790854 /nfs/dbraw/zinc/79/08/54/1016790854.db2.gz UASLADZMTVPVQZ-CYBMUJFWSA-N -1 0 317.363 -0.042 20 0 DBADRM C[C@@](CO)(NCC(=O)NCCOc1ccc(F)cc1)C(=O)[O-] ZINC001592750304 1016793827 /nfs/dbraw/zinc/79/38/27/1016793827.db2.gz QLKJDZUIVGYVAS-AWEZNQCLSA-N -1 0 314.313 -0.254 20 0 DBADRM C[C@H](CNC(=O)C1CC1)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001416848196 1003587823 /nfs/dbraw/zinc/58/78/23/1003587823.db2.gz MLCMWYLAYJFHSL-MRVPVSSYSA-N -1 0 318.337 -0.898 20 0 DBADRM C[C@H](CS(=O)(=O)Cc1nnn(CC(F)(F)F)n1)C(=O)[O-] ZINC001592787550 1016800117 /nfs/dbraw/zinc/80/01/17/1016800117.db2.gz DOOIMXWLTDXNKU-RXMQYKEDSA-N -1 0 316.261 -0.129 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001592771360 1016800278 /nfs/dbraw/zinc/80/02/78/1016800278.db2.gz DNGQJTSSHHQARI-CHWFTXMASA-N -1 0 314.338 -0.724 20 0 DBADRM CCn1ncc(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])n1 ZINC001597956857 1017219962 /nfs/dbraw/zinc/21/99/62/1017219962.db2.gz GQILOCTYNLXMMN-SNVBAGLBSA-N -1 0 302.356 -0.628 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN(C)CCN(C)CC1)C(=O)[O-] ZINC001592799438 1016804748 /nfs/dbraw/zinc/80/47/48/1016804748.db2.gz CCADZRYSTZIREN-NSHDSACASA-N -1 0 307.416 -0.784 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@@H](C(=O)N2CCCC2)C1)C(=O)[O-] ZINC001592789105 1016803185 /nfs/dbraw/zinc/80/31/85/1016803185.db2.gz DLEMGDYHQGVPKX-GHMZBOCLSA-N -1 0 318.395 -0.019 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H](C1CC1)[C@@]1(CO)CCCO1)C(=O)[O-] ZINC001592807193 1016803874 /nfs/dbraw/zinc/80/38/74/1016803874.db2.gz LKNPZPRPDXWHOQ-CDMKHQONSA-N -1 0 321.395 -0.053 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCOC[C@@H]1[C@H]1CCCO1)C(=O)[O-] ZINC001592799903 1016803936 /nfs/dbraw/zinc/80/39/36/1016803936.db2.gz HHJXUOCYFMEXJR-GMTAPVOTSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCOC[C@H]1c1ccnn1C)C(=O)[O-] ZINC001592800134 1016804896 /nfs/dbraw/zinc/80/48/96/1016804896.db2.gz KVCFFJYMYOAZFH-KOLCDFICSA-N -1 0 317.367 -0.156 20 0 DBADRM C[C@@H](CS(=O)(=O)NC[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001592808693 1016805260 /nfs/dbraw/zinc/80/52/60/1016805260.db2.gz MJGYZHWXMQGODN-DTWKUNHWSA-N -1 0 313.397 -0.549 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001592814527 1016805415 /nfs/dbraw/zinc/80/54/15/1016805415.db2.gz SZJPEEPMKHURPL-VHSXEESVSA-N -1 0 306.384 -0.858 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001592813506 1016805804 /nfs/dbraw/zinc/80/58/04/1016805804.db2.gz ARDBYUJXABSQIZ-PRHODGIISA-N -1 0 318.351 -0.501 20 0 DBADRM C[C@@H](CS(=O)(=O)NCc1ncc2c(n1)CCOC2)C(=O)[O-] ZINC001592814846 1016805885 /nfs/dbraw/zinc/80/58/85/1016805885.db2.gz CZPOHDOGJKRMPC-QMMMGPOBSA-N -1 0 315.351 -0.311 20 0 DBADRM C[C@H](CS(=O)(=O)NC[C@@H]1COC2(CCOCC2)O1)C(=O)[O-] ZINC001592810549 1016806029 /nfs/dbraw/zinc/80/60/29/1016806029.db2.gz YIHIZDKMUNTUJZ-NXEZZACHSA-N -1 0 323.367 -0.451 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001592822912 1016807169 /nfs/dbraw/zinc/80/71/69/1016807169.db2.gz WKCVQPFGDZRHOO-MMXNHZJYSA-N -1 0 304.368 -0.807 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001592816358 1016807802 /nfs/dbraw/zinc/80/78/02/1016807802.db2.gz RMJSRCKHRZCLPT-VGMNWLOBSA-N -1 0 308.356 -0.697 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001592925440 1016816438 /nfs/dbraw/zinc/81/64/38/1016816438.db2.gz DAKWIKYWSJQFJF-DCAQKATOSA-N -1 0 324.337 -0.912 20 0 DBADRM O=C(COc1ccc(-c2nn[nH]n2)cc1)NC1(C(=O)[O-])CC1 ZINC001592888694 1016813057 /nfs/dbraw/zinc/81/30/57/1016813057.db2.gz BCFDUWWASDBSMF-UHFFFAOYSA-N -1 0 303.278 -0.021 20 0 DBADRM CCN1C[C@@H](C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001438873589 1003707613 /nfs/dbraw/zinc/70/76/13/1003707613.db2.gz OGLGWZBTIDSMBC-JTQLQIEISA-N -1 0 324.385 -0.731 20 0 DBADRM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001592908633 1016814491 /nfs/dbraw/zinc/81/44/91/1016814491.db2.gz FVHSKTKIIXBTCD-MWLCHTKSSA-N -1 0 306.326 -0.540 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)CN1CCCCC1=O)C(=O)[O-] ZINC001592917793 1016814642 /nfs/dbraw/zinc/81/46/42/1016814642.db2.gz UXXRIKUPYLGURE-AWEZNQCLSA-N -1 0 308.338 -0.145 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001592909579 1016815171 /nfs/dbraw/zinc/81/51/71/1016815171.db2.gz ZSXWCSLHKZDIPC-GXSJLCMTSA-N -1 0 311.338 -0.069 20 0 DBADRM O=C(Cc1cccc(-c2nn[nH]n2)c1)Nn1c(=O)[n-][nH]c1=O ZINC001592921629 1016816674 /nfs/dbraw/zinc/81/66/74/1016816674.db2.gz BUVLLOKPTWCSDJ-UHFFFAOYSA-N -1 0 302.254 -0.818 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC1([C@@H]2CCCO2)CCC1 ZINC001592940285 1016821123 /nfs/dbraw/zinc/82/11/23/1016821123.db2.gz XIKALXSTPHEUIW-VIFPVBQESA-N -1 0 318.341 -0.324 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@H]1CCC[C@H](O)C1 ZINC001592940848 1016821676 /nfs/dbraw/zinc/82/16/76/1016821676.db2.gz DDJWNBIDMPJNEK-IUCAKERBSA-N -1 0 306.330 -0.875 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cc2n(n1)CCCC2 ZINC001592941549 1016821709 /nfs/dbraw/zinc/82/17/09/1016821709.db2.gz DJVKEZQWDIAQDG-UHFFFAOYSA-N -1 0 314.313 -0.370 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001416989287 1003727505 /nfs/dbraw/zinc/72/75/05/1003727505.db2.gz TUJGKLFFMVDBIE-PSASIEDQSA-N -1 0 323.353 -0.721 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@H](O)CC12CCC2 ZINC001592940437 1016822026 /nfs/dbraw/zinc/82/20/26/1016822026.db2.gz HSIUDPOYDXLIGC-VIFPVBQESA-N -1 0 318.341 -0.636 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@H](O)C12CCCC2 ZINC001592940786 1016822342 /nfs/dbraw/zinc/82/23/42/1016822342.db2.gz ZNUMCCZUHJCBRE-VIFPVBQESA-N -1 0 318.341 -0.636 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001592940466 1016822386 /nfs/dbraw/zinc/82/23/86/1016822386.db2.gz IOCCGUGLDYUCLM-ZJUUUORDSA-N -1 0 318.341 -0.514 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCCOC(F)F ZINC001592941331 1016822480 /nfs/dbraw/zinc/82/24/80/1016822480.db2.gz WVMUPMFIMSBBIC-UHFFFAOYSA-N -1 0 302.245 -0.796 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)CCSCC(=O)[O-])C(N)=O ZINC001592918180 1016817079 /nfs/dbraw/zinc/81/70/79/1016817079.db2.gz ZHWMPHPOGMRFLB-GFCCVEGCSA-N -1 0 314.367 -0.549 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001592925441 1016817632 /nfs/dbraw/zinc/81/76/32/1016817632.db2.gz DAKWIKYWSJQFJF-VWYCJHECSA-N -1 0 324.337 -0.912 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001592925866 1016817645 /nfs/dbraw/zinc/81/76/45/1016817645.db2.gz JFAFKVHOJROGFS-JTQLQIEISA-N -1 0 304.306 -0.052 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)/C=C/CN1CCOCC1)C(=O)[O-] ZINC001592917997 1016817858 /nfs/dbraw/zinc/81/78/58/1016817858.db2.gz XMHPDFVLXRFYSD-TXTHVTMNSA-N -1 0 322.365 -0.269 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)CCSCC(=O)[O-])C(N)=O ZINC001592918181 1016817911 /nfs/dbraw/zinc/81/79/11/1016817911.db2.gz ZHWMPHPOGMRFLB-LBPRGKRZSA-N -1 0 314.367 -0.549 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)[C@@H]1CCc2nncn2C1)C(=O)[O-] ZINC001592917931 1016817977 /nfs/dbraw/zinc/81/79/77/1016817977.db2.gz VWIVQSZQICQXDF-QMTHXVAHSA-N -1 0 318.337 -0.303 20 0 DBADRM CC(F)(F)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001592934414 1016818781 /nfs/dbraw/zinc/81/87/81/1016818781.db2.gz JUBAXCBENNHRNY-WDSKDSINSA-N -1 0 305.237 -0.753 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCO[C@@H](C2CC2)C1 ZINC001592939612 1016818968 /nfs/dbraw/zinc/81/89/68/1016818968.db2.gz FYRRQDGPOKZVNF-SECBINFHSA-N -1 0 304.314 -0.904 20 0 DBADRM O=C(Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCC2)N1CCC1 ZINC001592937911 1016819247 /nfs/dbraw/zinc/81/92/47/1016819247.db2.gz VYLUFTRYPOVIDH-UHFFFAOYSA-N -1 0 300.322 -0.251 20 0 DBADRM O=C(Cn1ccc(-c2nnn[n-]2)cc1=O)NCc1ccco1 ZINC001592937363 1016819690 /nfs/dbraw/zinc/81/96/90/1016819690.db2.gz VXTURFGGOAZBNG-UHFFFAOYSA-N -1 0 300.278 -0.062 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)nn1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC001592936221 1016819775 /nfs/dbraw/zinc/81/97/75/1016819775.db2.gz IQTQKGVUYACDBX-WDEREUQCSA-N -1 0 318.341 -0.372 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592962346 1016826451 /nfs/dbraw/zinc/82/64/51/1016826451.db2.gz JMDXYJFBERVSHK-UHFFFAOYSA-N -1 0 300.286 -0.483 20 0 DBADRM CC1(CC(=O)NC[C@H]2CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001417058710 1003805151 /nfs/dbraw/zinc/80/51/51/1003805151.db2.gz YOGYYQXRSIGJBO-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001592970158 1016827272 /nfs/dbraw/zinc/82/72/72/1016827272.db2.gz CYXATGACNWTKEK-QWRGUYRKSA-N -1 0 320.345 -0.047 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1cnn(C)c1 ZINC001592981433 1016827747 /nfs/dbraw/zinc/82/77/47/1016827747.db2.gz SYIILSFEVGYSNV-FXPVBKGRSA-N -1 0 308.338 -0.224 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)c1ccccn1 ZINC001592981149 1016827770 /nfs/dbraw/zinc/82/77/70/1016827770.db2.gz PAOHCEJLTXBXOM-UMNHJUIQSA-N -1 0 321.333 -0.041 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)c1cccnc1 ZINC001592970906 1016827950 /nfs/dbraw/zinc/82/79/50/1016827950.db2.gz MQYPFAPBOLPCIC-MVWJERBFSA-N -1 0 321.333 -0.447 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)c1cnn(C)c1 ZINC001592980656 1016828049 /nfs/dbraw/zinc/82/80/49/1016828049.db2.gz XXVTXESZXMFNSL-ZETCQYMHSA-N -1 0 320.309 -0.332 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ncn(C)n1 ZINC001592980005 1016828305 /nfs/dbraw/zinc/82/83/05/1016828305.db2.gz SEQPAOXIRWDKHG-ZETCQYMHSA-N -1 0 320.309 -0.332 20 0 DBADRM O=C(CCCF)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001417187800 1003840883 /nfs/dbraw/zinc/84/08/83/1003840883.db2.gz JUXQNZNWFAXKTC-UHFFFAOYSA-N -1 0 313.289 -0.589 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cc2ccccn2n1 ZINC001592941839 1016824384 /nfs/dbraw/zinc/82/43/84/1016824384.db2.gz NFQHPNKOHGYVTC-UHFFFAOYSA-N -1 0 310.281 -0.255 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cccc(CO)c1 ZINC001592941857 1016824500 /nfs/dbraw/zinc/82/45/00/1016824500.db2.gz OASGJJOJXHPMKC-UHFFFAOYSA-N -1 0 300.282 -0.411 20 0 DBADRM CCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001428530740 1003853713 /nfs/dbraw/zinc/85/37/13/1003853713.db2.gz JWIXRLCWKABHRP-IUCAKERBSA-N -1 0 310.354 -0.091 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@@H]2CCC(=O)NC2)c1[O-] ZINC001428576564 1003861987 /nfs/dbraw/zinc/86/19/87/1003861987.db2.gz HHLDAGKYZNAERE-IONNQARKSA-N -1 0 323.353 -0.816 20 0 DBADRM CC(C)C(=O)NC[C@]1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001417377249 1003871746 /nfs/dbraw/zinc/87/17/46/1003871746.db2.gz BOWSIGYSQMULQS-AWEZNQCLSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001593011096 1016831612 /nfs/dbraw/zinc/83/16/12/1016831612.db2.gz NILYCYHPPKSBNR-OTYXRUKQSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@H](NC(=O)[C@H]1OCCN(C)C1=O)c1ncc(C(=O)[O-])s1 ZINC001593008827 1016832463 /nfs/dbraw/zinc/83/24/63/1016832463.db2.gz JNCPVFTXIIPDBN-POYBYMJQSA-N -1 0 313.335 -0.124 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC001417596438 1003894171 /nfs/dbraw/zinc/89/41/71/1003894171.db2.gz WXHJSTBVWSCXHD-UHFFFAOYSA-N -1 0 305.250 -0.341 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2c[n-]ncc2=O)C1 ZINC001417609748 1003897081 /nfs/dbraw/zinc/89/70/81/1003897081.db2.gz PFLGQYJNQIHLMB-VIFPVBQESA-N -1 0 314.367 -0.416 20 0 DBADRM CCNC(=O)CN(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001417613578 1003899008 /nfs/dbraw/zinc/89/90/08/1003899008.db2.gz FPPUZBOYDZLGFS-UHFFFAOYSA-N -1 0 303.326 -0.717 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)CC2 ZINC001417631827 1003921265 /nfs/dbraw/zinc/92/12/65/1003921265.db2.gz UTMUNXMURHKGRJ-VIFPVBQESA-N -1 0 321.341 -0.499 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N1CCO[C@@H](c3nnn[n-]3)C1)CC2 ZINC001417636315 1003928765 /nfs/dbraw/zinc/92/87/65/1003928765.db2.gz VUJIGYHHMYICQO-VHSXEESVSA-N -1 0 318.341 -0.738 20 0 DBADRM C[C@H](NC(=O)C(N)=O)[C@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001592993964 1016829740 /nfs/dbraw/zinc/82/97/40/1016829740.db2.gz LJAMHUIPEKTLCW-IUCAKERBSA-N -1 0 321.337 -0.619 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1)C1(CO)CC1 ZINC001592990913 1016829865 /nfs/dbraw/zinc/82/98/65/1016829865.db2.gz JMMUWPMFTFCINX-QMMMGPOBSA-N -1 0 307.306 -0.005 20 0 DBADRM C[C@@H](NC(=O)C1(S(N)(=O)=O)CC1)c1ncc(C(=O)[O-])s1 ZINC001592997627 1016829879 /nfs/dbraw/zinc/82/98/79/1016829879.db2.gz CEJHUHJGFCNAAY-RXMQYKEDSA-N -1 0 319.364 -0.160 20 0 DBADRM C[C@@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)c1nnnn1C1CC1 ZINC001593062868 1016835838 /nfs/dbraw/zinc/83/58/38/1016835838.db2.gz MSYWSQMSGIQTQP-PSASIEDQSA-N -1 0 324.341 -0.046 20 0 DBADRM COCCn1nc(C)c(NC(=O)Cn2c(=O)[n-][nH]c2=O)c1C ZINC001417660472 1003949482 /nfs/dbraw/zinc/94/94/82/1003949482.db2.gz XRPVUGXTARODEB-UHFFFAOYSA-N -1 0 310.314 -0.212 20 0 DBADRM COCc1cc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001439379160 1003958297 /nfs/dbraw/zinc/95/82/97/1003958297.db2.gz FUHBDFFCNTYYNU-MRVPVSSYSA-N -1 0 324.341 -0.105 20 0 DBADRM COCc1cc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001439379161 1003959777 /nfs/dbraw/zinc/95/97/77/1003959777.db2.gz FUHBDFFCNTYYNU-QMMMGPOBSA-N -1 0 324.341 -0.105 20 0 DBADRM CSC[C@H](CCO)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001417675334 1003961941 /nfs/dbraw/zinc/96/19/41/1003961941.db2.gz COLPARQJBIRCCF-QMMMGPOBSA-N -1 0 304.372 -0.300 20 0 DBADRM C[C@@](O)(CNC(=O)CCCn1c(=O)[n-][nH]c1=O)C(F)(F)F ZINC001417682999 1003962717 /nfs/dbraw/zinc/96/27/17/1003962717.db2.gz GLDFGABFWCKPBP-SECBINFHSA-N -1 0 312.248 -0.101 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cn(CC2(C)COC2)nn1)c1nnn[n-]1 ZINC001417705411 1003988507 /nfs/dbraw/zinc/98/85/07/1003988507.db2.gz WKYJMPKNQQGUSD-VIFPVBQESA-N -1 0 320.357 -0.297 20 0 DBADRM CC(=O)C[C@@H]1COCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001417711964 1003995141 /nfs/dbraw/zinc/99/51/41/1003995141.db2.gz WJIMKLHEKYYURI-MRVPVSSYSA-N -1 0 300.340 -0.191 20 0 DBADRM COc1c[nH]c(C(=O)N2CCSC[C@H]2c2nnn[n-]2)cc1=O ZINC001417719438 1004002919 /nfs/dbraw/zinc/00/29/19/1004002919.db2.gz GZVYPBILSIRLMZ-QMMMGPOBSA-N -1 0 322.350 -0.173 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC001417719475 1004003095 /nfs/dbraw/zinc/00/30/95/1004003095.db2.gz IGCAMQWLRRSNIN-YUMQZZPRSA-N -1 0 319.412 -0.503 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001417719472 1004003454 /nfs/dbraw/zinc/00/34/54/1004003454.db2.gz IGCAMQWLRRSNIN-HTQZYQBOSA-N -1 0 319.412 -0.503 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)C1C=CC=CC=C1 ZINC001593090402 1016840771 /nfs/dbraw/zinc/84/07/71/1016840771.db2.gz ILJBHNKCQZEUQI-UHFFFAOYSA-N -1 0 324.348 -0.095 20 0 DBADRM Cn1[nH]c([C@H]2CCCN2C(=O)CSc2n[nH]c(=O)[n-]2)nc1=N ZINC001417723249 1004005328 /nfs/dbraw/zinc/00/53/28/1004005328.db2.gz CZVUSVHUYDPTLV-ZCFIWIBFSA-N -1 0 324.370 -0.493 20 0 DBADRM COc1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)ccn1 ZINC001417725691 1004007139 /nfs/dbraw/zinc/00/71/39/1004007139.db2.gz FPCSEDFNWMCVBC-UHFFFAOYSA-N -1 0 304.310 -0.273 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1C2CCC1CC2 ZINC001593110038 1016843959 /nfs/dbraw/zinc/84/39/59/1016843959.db2.gz RPMXFWPFMLKJBW-UHFFFAOYSA-N -1 0 303.330 -0.205 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001417737483 1004013161 /nfs/dbraw/zinc/01/31/61/1004013161.db2.gz MZQMMSWTDPRMKJ-MRVPVSSYSA-N -1 0 320.309 -0.952 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@H]1CC1(Cl)Cl ZINC001593110279 1016844086 /nfs/dbraw/zinc/84/40/86/1016844086.db2.gz VIVGRXQOFBXELN-RXMQYKEDSA-N -1 0 317.140 -0.232 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]1CNC(=O)c1ccc[nH]1 ZINC001417737484 1004014092 /nfs/dbraw/zinc/01/40/92/1004014092.db2.gz MZQMMSWTDPRMKJ-QMMMGPOBSA-N -1 0 320.309 -0.952 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NCc1ccoc1 ZINC001593110880 1016846092 /nfs/dbraw/zinc/84/60/92/1016846092.db2.gz IEDQDCUKMVDQKR-UHFFFAOYSA-N -1 0 303.286 -0.449 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CCCSCC1 ZINC001593111089 1016846248 /nfs/dbraw/zinc/84/62/48/1016846248.db2.gz ITUCMVJPBJFZJH-UHFFFAOYSA-N -1 0 323.386 -0.393 20 0 DBADRM C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001593123847 1016846279 /nfs/dbraw/zinc/84/62/79/1016846279.db2.gz CVWQZEDEFQKTGQ-UVPNAGLESA-N -1 0 302.327 -0.006 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cnc(C2CC2)[nH]1 ZINC001593112928 1016846528 /nfs/dbraw/zinc/84/65/28/1016846528.db2.gz RLQIRPCEEUXVNA-UHFFFAOYSA-N -1 0 314.313 -0.511 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NC1(CO)CCCC1 ZINC001593110743 1016846554 /nfs/dbraw/zinc/84/65/54/1016846554.db2.gz GQVZPODKQZYHEP-UHFFFAOYSA-N -1 0 321.345 -0.938 20 0 DBADRM C[C@H]([C@H](C)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)N1CCOCC1 ZINC001593141002 1016847092 /nfs/dbraw/zinc/84/70/92/1016847092.db2.gz CFTMMKQHTKJESD-QCNOEVLYSA-N -1 0 300.355 -0.156 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@@H](C)N1CCOCC1 ZINC001593140998 1016847254 /nfs/dbraw/zinc/84/72/54/1016847254.db2.gz CFTMMKQHTKJESD-KKOKHZNYSA-N -1 0 300.355 -0.156 20 0 DBADRM Cn1cc(C[C@@H](CO)CNC(=O)CCCc2nnn[n-]2)cn1 ZINC001417814480 1004049975 /nfs/dbraw/zinc/04/99/75/1004049975.db2.gz FZARGEVVGSJKKT-LLVKDONJSA-N -1 0 307.358 -0.777 20 0 DBADRM C[C@H](NC(=O)NCCC(=O)NCCC(=O)[O-])c1ncn(C)n1 ZINC001593088873 1016841644 /nfs/dbraw/zinc/84/16/44/1016841644.db2.gz NLLCMVIIZOMQIF-QMMMGPOBSA-N -1 0 312.330 -0.844 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001417840892 1004066766 /nfs/dbraw/zinc/06/67/66/1004066766.db2.gz YHBCHYCCGNHAMC-SCZZXKLOSA-N -1 0 310.358 -0.932 20 0 DBADRM C[C@H](NC(=O)NCCOCC(=O)[O-])C(=O)NCc1ccco1 ZINC001593093555 1016842986 /nfs/dbraw/zinc/84/29/86/1016842986.db2.gz ARNIAODHUACFEC-VIFPVBQESA-N -1 0 313.310 -0.315 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CCC[C@@H](F)C1 ZINC001593109056 1016843147 /nfs/dbraw/zinc/84/31/47/1016843147.db2.gz HAMJMPKWKMSSFK-MRVPVSSYSA-N -1 0 309.309 -0.398 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CCC[C@H]1CCO ZINC001593110131 1016843654 /nfs/dbraw/zinc/84/36/54/1016843654.db2.gz STFYBMXMVIAKFV-VIFPVBQESA-N -1 0 321.345 -0.985 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCCN1C(=O)CCCc1nnn[n-]1 ZINC001417873395 1004079996 /nfs/dbraw/zinc/07/99/96/1004079996.db2.gz VVPQDEPHOIOGIK-SNVBAGLBSA-N -1 0 315.399 -0.052 20 0 DBADRM O=C([N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1)C1=COCC1 ZINC001593172764 1016850784 /nfs/dbraw/zinc/85/07/84/1016850784.db2.gz NRHWZBILGSMJOL-UHFFFAOYSA-N -1 0 322.306 -0.629 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccccc1-c1nn[nH]n1)C1=COCC1 ZINC001593172410 1016850868 /nfs/dbraw/zinc/85/08/68/1016850868.db2.gz KUFUZDFKZZWPKP-UHFFFAOYSA-N -1 0 321.318 -0.024 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001593181343 1016850944 /nfs/dbraw/zinc/85/09/44/1016850944.db2.gz NWMHOBMDYLGHCB-WCBMZHEXSA-N -1 0 323.305 -0.848 20 0 DBADRM CCC[C@@H](C)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001439981874 1004167622 /nfs/dbraw/zinc/16/76/22/1004167622.db2.gz LJHJWTSNHHMZOK-QMTHXVAHSA-N -1 0 311.386 -0.001 20 0 DBADRM C[C@H](C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001439985347 1004170770 /nfs/dbraw/zinc/17/07/70/1004170770.db2.gz WOPGIDACOLHOAL-LKFCYVNXSA-N -1 0 309.370 -0.391 20 0 DBADRM C[C@@H](NC(=O)c1cn[nH]c1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593183686 1016853607 /nfs/dbraw/zinc/85/36/07/1016853607.db2.gz LQHSBOYEPDLKPA-JGVFFNPUSA-N -1 0 304.310 -0.061 20 0 DBADRM C[C@@](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)(C(=O)[O-])C1CC1 ZINC001593319121 1016859156 /nfs/dbraw/zinc/85/91/56/1016859156.db2.gz MZUBVDRHCOOFCZ-GWCFXTLKSA-N -1 0 316.379 -0.078 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2cncc(-c3nn[nH]n3)c2)C1 ZINC001593279081 1016856301 /nfs/dbraw/zinc/85/63/01/1016856301.db2.gz POTZAPFNEPTIKU-FKQCQYRASA-N -1 0 324.322 -0.597 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC(F)(F)C1 ZINC001440041380 1004217569 /nfs/dbraw/zinc/21/75/69/1004217569.db2.gz DSBKVGPXHJOWCZ-UHFFFAOYSA-N -1 0 317.296 -0.782 20 0 DBADRM O=C([O-])/C=C/CNS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001593276967 1016856498 /nfs/dbraw/zinc/85/64/98/1016856498.db2.gz SNILOUJQLOQJDQ-OWOJBTEDSA-N -1 0 310.295 -0.819 20 0 DBADRM O=C(Nc1c[nH]nc1-c1nnn[n-]1)c1cncc(-n2ccnn2)c1 ZINC001593261035 1016856612 /nfs/dbraw/zinc/85/66/12/1016856612.db2.gz QHIBHWNPHBQOEA-UHFFFAOYSA-N -1 0 323.280 -0.182 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)c1nncn1C ZINC001593327165 1016860330 /nfs/dbraw/zinc/86/03/30/1016860330.db2.gz VPNDFCYPFBDKMT-ZETCQYMHSA-N -1 0 313.339 -0.109 20 0 DBADRM COCc1ccnc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001440069935 1004240249 /nfs/dbraw/zinc/24/02/49/1004240249.db2.gz QCBJDWHSNBRTIR-UHFFFAOYSA-N -1 0 315.293 -0.354 20 0 DBADRM CN(CCNC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)C1CC1 ZINC001496199063 1016862177 /nfs/dbraw/zinc/86/21/77/1016862177.db2.gz SBGLVCWXRACSNC-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CCC(CO)(CO)C1 ZINC001593347818 1016865540 /nfs/dbraw/zinc/86/55/40/1016865540.db2.gz HRRUSGCXAQIPMW-UHFFFAOYSA-N -1 0 304.310 -0.921 20 0 DBADRM CC(C)C(=O)N(C)CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001496193743 1016862479 /nfs/dbraw/zinc/86/24/79/1016862479.db2.gz BZMBEGMQCJRWJK-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NC(C)(C)c1nocc1C(=O)[O-] ZINC001593352448 1016865869 /nfs/dbraw/zinc/86/58/69/1016865869.db2.gz ACIUQNHHFBHYMJ-LURJTMIESA-N -1 0 319.339 -0.338 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001593352879 1016866181 /nfs/dbraw/zinc/86/61/81/1016866181.db2.gz IIGSXMFHVLFRFG-ZETCQYMHSA-N -1 0 302.308 -0.239 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001593348372 1016866256 /nfs/dbraw/zinc/86/62/56/1016866256.db2.gz VFLWIFRQLAYYLZ-LDYMZIIASA-N -1 0 304.310 -0.923 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NC(C)(C)c1nocc1C(=O)[O-] ZINC001593352449 1016866378 /nfs/dbraw/zinc/86/63/78/1016866378.db2.gz ACIUQNHHFBHYMJ-ZCFIWIBFSA-N -1 0 319.339 -0.338 20 0 DBADRM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[nH]n1)c1cc(=O)[nH][n-]1 ZINC001593383514 1016867650 /nfs/dbraw/zinc/86/76/50/1016867650.db2.gz XEKIJICKMBYVFP-UHFFFAOYSA-N -1 0 301.270 -0.718 20 0 DBADRM Cc1nc(CN[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)oc1C ZINC001418302114 1004322700 /nfs/dbraw/zinc/32/27/00/1004322700.db2.gz JXFRQUASWNOJDA-SSDOTTSWSA-N -1 0 324.341 -0.411 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)[O-] ZINC001593399308 1016873788 /nfs/dbraw/zinc/87/37/88/1016873788.db2.gz QAACZFBEJZGGFM-XVKPBYJWSA-N -1 0 314.260 -0.799 20 0 DBADRM C[C@@](O)(CNC(=O)/C=C\c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC001593399620 1016874743 /nfs/dbraw/zinc/87/47/43/1016874743.db2.gz XWPHYBRXZIZQCD-KTLBGCOUSA-N -1 0 317.319 -0.352 20 0 DBADRM C[C@@](O)(CNC(=O)C[C@@H](NC(N)=O)c1cccs1)C(=O)[O-] ZINC001593400630 1016874923 /nfs/dbraw/zinc/87/49/23/1016874923.db2.gz LFXKETNYRJOUKC-JMCQJSRRSA-N -1 0 315.351 -0.201 20 0 DBADRM COC(=O)N(C)CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001418463659 1004409260 /nfs/dbraw/zinc/40/92/60/1004409260.db2.gz JOYOQQIVSIRQNV-UHFFFAOYSA-N -1 0 301.303 -0.716 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)CCc2nnn[n-]2)CCCCC1 ZINC001418464601 1004413340 /nfs/dbraw/zinc/41/33/40/1004413340.db2.gz YKHJTHKKYLXMEK-UHFFFAOYSA-N -1 0 315.399 -0.004 20 0 DBADRM CN(CCNC(=O)CCc1ccnn1C)Cc1n[nH]c(=O)[n-]1 ZINC001418466971 1004416731 /nfs/dbraw/zinc/41/67/31/1004416731.db2.gz TWPSJLRQUDVAFT-UHFFFAOYSA-N -1 0 307.358 -0.575 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1nccs1 ZINC001418517235 1004447651 /nfs/dbraw/zinc/44/76/51/1004447651.db2.gz MWABUBKMFOLZNC-UHFFFAOYSA-N -1 0 312.355 -0.606 20 0 DBADRM O=S(=O)(CCCCF)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001593418918 1016878992 /nfs/dbraw/zinc/87/89/92/1016878992.db2.gz VEOIGPALUCJOJS-UHFFFAOYSA-N -1 0 318.338 -0.873 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001593413255 1016879209 /nfs/dbraw/zinc/87/92/09/1016879209.db2.gz NMHRFMIAFBNQIG-PSASIEDQSA-N -1 0 315.289 -0.183 20 0 DBADRM C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCC(=O)[O-] ZINC001593419451 1016879319 /nfs/dbraw/zinc/87/93/19/1016879319.db2.gz KIJMJBMTOUUPIQ-NSHDSACASA-N -1 0 322.239 -0.181 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001593420840 1016879554 /nfs/dbraw/zinc/87/95/54/1016879554.db2.gz XGFDDRPOIBROPL-ISVAXAHUSA-N -1 0 318.276 -0.176 20 0 DBADRM CSCC[C@H](NC(=O)[C@H]1CCOC(=O)N1)c1nnn[n-]1 ZINC001418529141 1004457494 /nfs/dbraw/zinc/45/74/94/1004457494.db2.gz VUEJITWVVCMEOJ-NKWVEPMBSA-N -1 0 300.344 -0.391 20 0 DBADRM CCN(CCNC(=O)[C@@]1(C)CCC(=O)NC1)Cc1n[nH]c(=O)[n-]1 ZINC001418560350 1004477957 /nfs/dbraw/zinc/47/79/57/1004477957.db2.gz BCTLSJSCVDTNIA-AWEZNQCLSA-N -1 0 324.385 -0.635 20 0 DBADRM C[C@@H](O)C(C)(C)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001593426350 1016881235 /nfs/dbraw/zinc/88/12/35/1016881235.db2.gz SBOUHVBOYADWCI-MRVPVSSYSA-N -1 0 305.356 -0.347 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001593427648 1016881600 /nfs/dbraw/zinc/88/16/00/1016881600.db2.gz YQIZABHFDVXXIS-LDWIPMOCSA-N -1 0 310.310 -0.668 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC001593427546 1016881627 /nfs/dbraw/zinc/88/16/27/1016881627.db2.gz LPWAPZLWWHEWJI-VIFPVBQESA-N -1 0 307.306 -0.555 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC001593427854 1016881711 /nfs/dbraw/zinc/88/17/11/1016881711.db2.gz ODNLUNCVDIAZSJ-VIFPVBQESA-N -1 0 307.306 -0.555 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC001593428290 1016881720 /nfs/dbraw/zinc/88/17/20/1016881720.db2.gz ZGGFZATZQYNCCO-VIFPVBQESA-N -1 0 322.321 -0.163 20 0 DBADRM CCN(CCNC(=O)[C@@H](C)c1cnn(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001418588702 1004486562 /nfs/dbraw/zinc/48/65/62/1004486562.db2.gz JYUYQMOTGZNSHJ-JTQLQIEISA-N -1 0 321.385 -0.014 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001593427654 1016881859 /nfs/dbraw/zinc/88/18/59/1016881859.db2.gz YQIZABHFDVXXIS-WKEGUHRASA-N -1 0 310.310 -0.668 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@]1(C)CCC(=O)N1 ZINC001418594278 1004489537 /nfs/dbraw/zinc/48/95/37/1004489537.db2.gz FGOXCXPYOJMBTF-XPTSAGLGSA-N -1 0 322.369 -0.788 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001593425190 1016882097 /nfs/dbraw/zinc/88/20/97/1016882097.db2.gz FOFGEQYGRCURQE-NZBQSGDWSA-N -1 0 324.377 -0.169 20 0 DBADRM Cn1cc(C(=O)CCC(=O)NCc2nc([O-])cc(=O)[nH]2)cn1 ZINC001418615140 1004501271 /nfs/dbraw/zinc/50/12/71/1004501271.db2.gz AKNNCMIXJYAEHT-UHFFFAOYSA-N -1 0 305.294 -0.099 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593432129 1016883189 /nfs/dbraw/zinc/88/31/89/1016883189.db2.gz LGFMNJBKDXURNA-RDDDGLTNSA-N -1 0 307.306 -0.006 20 0 DBADRM O=S(=O)(NC[C@H](O)C1CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593435026 1016884026 /nfs/dbraw/zinc/88/40/26/1016884026.db2.gz KHTGTZWDRBSLBY-QMMMGPOBSA-N -1 0 313.339 -0.101 20 0 DBADRM O=S(=O)(NC[C@@H]1CCCOC1)c1cccnc1-c1nnn[n-]1 ZINC001593434435 1016883598 /nfs/dbraw/zinc/88/35/98/1016883598.db2.gz CEOIIPFNPOQEOW-VIFPVBQESA-N -1 0 324.366 -0.033 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001418625190 1004510436 /nfs/dbraw/zinc/51/04/36/1004510436.db2.gz ZVOQRMKGENORHH-UWVGGRQHSA-N -1 0 324.385 -0.494 20 0 DBADRM C[C@H](O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC001593439164 1016885152 /nfs/dbraw/zinc/88/51/52/1016885152.db2.gz ZEHNMBAPCPBFNW-PGUXBMHVSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](O)[C@H]1CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CCO1 ZINC001593441104 1016887202 /nfs/dbraw/zinc/88/72/02/1016887202.db2.gz DKDNVRKXZNHAMD-LDYMZIIASA-N -1 0 316.335 -0.450 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NC[C@H](O)[C@@H](C)O)cc2=O)n1 ZINC001418678397 1004560311 /nfs/dbraw/zinc/56/03/11/1004560311.db2.gz MHBGQMBVZPWIBI-KOLCDFICSA-N -1 0 321.337 -0.956 20 0 DBADRM C[C@@H](O)[C@H]1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CCO1 ZINC001593440664 1016888376 /nfs/dbraw/zinc/88/83/76/1016888376.db2.gz AHXSKUCGFYHJOK-NXEZZACHSA-N -1 0 307.368 -0.347 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N(CCO)CC(F)F ZINC001593451724 1016889474 /nfs/dbraw/zinc/88/94/74/1016889474.db2.gz IJADZTDGUXWAIU-UHFFFAOYSA-N -1 0 323.281 -0.292 20 0 DBADRM CC(C)N(C[C@@H](C)O)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001593447218 1016889993 /nfs/dbraw/zinc/88/99/93/1016889993.db2.gz QERTXNKFZBUBNZ-MNOVXSKESA-N -1 0 300.355 -0.073 20 0 DBADRM C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)NCCCCC(=O)[O-] ZINC001593450057 1016890462 /nfs/dbraw/zinc/89/04/62/1016890462.db2.gz IHUVUZPTVNPSKI-MNOVXSKESA-N -1 0 316.354 -0.644 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001496328669 1016890583 /nfs/dbraw/zinc/89/05/83/1016890583.db2.gz OSMBRPCLSHWUBT-YUMQZZPRSA-N -1 0 309.326 -0.483 20 0 DBADRM CCCN(CCNC(=O)[C@H]1CCC(=O)N1C)Cc1n[nH]c(=O)[n-]1 ZINC001418725288 1004598391 /nfs/dbraw/zinc/59/83/91/1004598391.db2.gz MNBYCRGEHREUSQ-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@]2(O)C[C@H]2C1 ZINC001593454705 1016891321 /nfs/dbraw/zinc/89/13/21/1016891321.db2.gz NFBWYBTZASZNFA-WRWORJQWSA-N -1 0 311.323 -0.395 20 0 DBADRM C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001593471078 1016895558 /nfs/dbraw/zinc/89/55/58/1016895558.db2.gz FGNITWNMPXKQPW-IOQXRXCXSA-N -1 0 310.350 -0.272 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C2CCC2)C1=O ZINC001418806846 1004656193 /nfs/dbraw/zinc/65/61/93/1004656193.db2.gz JCNJFHGPMOYAGI-JTQLQIEISA-N -1 0 323.353 -0.261 20 0 DBADRM C[C@@H](O)c1cn(C2CN(C(=O)CCSCC(=O)[O-])C2)nn1 ZINC001593477035 1016896034 /nfs/dbraw/zinc/89/60/34/1016896034.db2.gz GOKQOLGQWBSXIS-MRVPVSSYSA-N -1 0 314.367 -0.077 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@@]2(C(=O)[O-])CCSC2)nn1 ZINC001593477565 1016896542 /nfs/dbraw/zinc/89/65/42/1016896542.db2.gz WTOAAXMEFHKEFB-CPCISQLKSA-N -1 0 300.340 -0.592 20 0 DBADRM O=c1c(-c2nnn[n-]2)c2c(cn1CN1CC[C@@H]1CO)CCC2 ZINC001593492398 1016897066 /nfs/dbraw/zinc/89/70/66/1016897066.db2.gz NXMDSRCNZDETDJ-SNVBAGLBSA-N -1 0 302.338 -0.459 20 0 DBADRM Cc1n[nH]cc1C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001496365817 1016897242 /nfs/dbraw/zinc/89/72/42/1016897242.db2.gz VVBFPVQMWHREAO-UHFFFAOYSA-N -1 0 306.326 -0.043 20 0 DBADRM O=c1c(-c2nnn[n-]2)c2c(cn1CCOCCO)CCCC2 ZINC001593491927 1016897281 /nfs/dbraw/zinc/89/72/81/1016897281.db2.gz CIKWLDDKRJKMLD-UHFFFAOYSA-N -1 0 305.338 -0.084 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCOC[C@H]1c1nnn[n-]1)CC2 ZINC001418864389 1004691855 /nfs/dbraw/zinc/69/18/55/1004691855.db2.gz YORIHDKDRYCOEF-KCJUWKMLSA-N -1 0 318.341 -0.967 20 0 DBADRM O=c1[nH]c(=O)n(C2CN(c3nccs3)C2)cc1-c1nnn[n-]1 ZINC001593488034 1016898986 /nfs/dbraw/zinc/89/89/86/1016898986.db2.gz DUWTYCNULRRYLU-UHFFFAOYSA-N -1 0 318.322 -0.353 20 0 DBADRM COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001418897513 1004703127 /nfs/dbraw/zinc/70/31/27/1004703127.db2.gz SECQOZYNRIOOHU-PWCHPLFNSA-N -1 0 312.282 -0.925 20 0 DBADRM C[C@H](OC(=O)C1(S(N)(=O)=O)CC1)C(=O)C(C)(C)C(=O)[O-] ZINC001593495954 1016899456 /nfs/dbraw/zinc/89/94/56/1016899456.db2.gz CZEGGUMPNJAGDO-LURJTMIESA-N -1 0 307.324 -0.581 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CCCc2nn(C)cc21)C(=O)NCC(=O)[O-] ZINC001593499768 1016899483 /nfs/dbraw/zinc/89/94/83/1016899483.db2.gz CPBUEDXKBANEMY-RKDXNWHRSA-N -1 0 309.322 -0.028 20 0 DBADRM COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)CCc1nnn[n-]1 ZINC001418920418 1004715192 /nfs/dbraw/zinc/71/51/92/1004715192.db2.gz JALDMXKXMUIQTF-VHSXEESVSA-N -1 0 311.342 -0.393 20 0 DBADRM COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)CCc1nnn[n-]1 ZINC001418920419 1004716404 /nfs/dbraw/zinc/71/64/04/1004716404.db2.gz JALDMXKXMUIQTF-ZJUUUORDSA-N -1 0 311.342 -0.393 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)C(=O)[O-] ZINC001593499117 1016900666 /nfs/dbraw/zinc/90/06/66/1016900666.db2.gz IMYXSLXYBIDPGQ-HTQZYQBOSA-N -1 0 304.320 -0.213 20 0 DBADRM C[C@H](OC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)C(=O)[O-] ZINC001593499118 1016901271 /nfs/dbraw/zinc/90/12/71/1016901271.db2.gz IMYXSLXYBIDPGQ-JGVFFNPUSA-N -1 0 304.320 -0.213 20 0 DBADRM C[C@H](OC(=O)C1(S(C)(=O)=O)CCOCC1)C(=O)C(=O)[O-] ZINC001593496887 1016901672 /nfs/dbraw/zinc/90/16/72/1016901672.db2.gz QDZSNEBWXPDXNH-ZETCQYMHSA-N -1 0 308.308 -0.834 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC1CN(Cc2ccon2)C1 ZINC001418978858 1004744406 /nfs/dbraw/zinc/74/44/06/1004744406.db2.gz HLUVLRXCCGKGDX-UHFFFAOYSA-N -1 0 322.325 -0.542 20 0 DBADRM OC[C@H](Cc1cncs1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001593521032 1016903243 /nfs/dbraw/zinc/90/32/43/1016903243.db2.gz OALNHDIHQZNQIJ-ZETCQYMHSA-N -1 0 304.339 -0.449 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCc2ncncc2C1)C(=O)NCC(=O)[O-] ZINC001593515642 1016903501 /nfs/dbraw/zinc/90/35/01/1016903501.db2.gz NTYBMMAHETXHBG-IUCAKERBSA-N -1 0 307.306 -0.286 20 0 DBADRM O=C([C@@H]1CCc2nncn2C1)N1CCC(c2nnn[n-]2)CC1 ZINC001418999484 1004755911 /nfs/dbraw/zinc/75/59/11/1004755911.db2.gz YZIZHOLVXDJONM-SNVBAGLBSA-N -1 0 302.342 -0.240 20 0 DBADRM C[C@@H](OC(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)C(=O)[O-] ZINC001593516660 1016903809 /nfs/dbraw/zinc/90/38/09/1016903809.db2.gz UXPFHXQXXUKMSF-MRVPVSSYSA-N -1 0 321.351 -0.367 20 0 DBADRM C[C@H](OC(=O)C[C@H]1NC(=O)c2ccccc21)C(=O)NCC(=O)[O-] ZINC001593513235 1016904610 /nfs/dbraw/zinc/90/46/10/1016904610.db2.gz AKNWCKIEUDOKFN-GZMMTYOYSA-N -1 0 320.301 -0.006 20 0 DBADRM CN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)Cc2cccnc21 ZINC001419028177 1004774772 /nfs/dbraw/zinc/77/47/72/1004774772.db2.gz LMFIDIDCKUAOGV-UHFFFAOYSA-N -1 0 304.310 -0.437 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(C/C=C/Cl)C1 ZINC001419036403 1004778311 /nfs/dbraw/zinc/77/83/11/1004778311.db2.gz KGWQCIZMTQJMMV-OWOJBTEDSA-N -1 0 301.734 -0.510 20 0 DBADRM C[C@@H](OC(=O)C[C@H]1NC(=O)c2ccccc21)C(=O)NCC(=O)[O-] ZINC001593513241 1016905541 /nfs/dbraw/zinc/90/55/41/1016905541.db2.gz AKNWCKIEUDOKFN-LDYMZIIASA-N -1 0 320.301 -0.006 20 0 DBADRM O=C(c1cn([C@@H]2CC[C@H]2O)nn1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001419045029 1004782707 /nfs/dbraw/zinc/78/27/07/1004782707.db2.gz WQXSYGGRQAWJQV-FXBDTBDDSA-N -1 0 304.314 -0.883 20 0 DBADRM CN(CCNC(=O)[C@]12C[C@H]1CCC2)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001496390503 1016905917 /nfs/dbraw/zinc/90/59/17/1016905917.db2.gz SDUFJPZANIJKAH-YMTOWFKASA-N -1 0 323.353 -0.546 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N2CC[C@@H](c3nnn[n-]3)C2)CC1 ZINC001419045305 1004783161 /nfs/dbraw/zinc/78/31/61/1004783161.db2.gz ZDKFYRUAQDFMPN-SECBINFHSA-N -1 0 313.383 -0.270 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1C[C@@H]2C[C@H]1CN2CCF ZINC001419053445 1004789262 /nfs/dbraw/zinc/78/92/62/1004789262.db2.gz ZNJHWLNWUWCKCL-UWVGGRQHSA-N -1 0 313.333 -0.276 20 0 DBADRM O=C(CCn1cncn1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001419089198 1004803241 /nfs/dbraw/zinc/80/32/41/1004803241.db2.gz LPEYNUGYHGCBFQ-SNVBAGLBSA-N -1 0 320.357 -0.727 20 0 DBADRM C[C@H](OC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(=O)C(=O)[O-] ZINC001593528050 1016908207 /nfs/dbraw/zinc/90/82/07/1016908207.db2.gz QLSHHGRSSXXIJX-XHNCKOQMSA-N -1 0 309.274 -0.477 20 0 DBADRM CN(C(=O)CCc1c[nH]cn1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001419111402 1004810621 /nfs/dbraw/zinc/81/06/21/1004810621.db2.gz JCRFFNDZKXVCFS-NSHDSACASA-N -1 0 319.369 -0.101 20 0 DBADRM OCC[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001593528576 1016908674 /nfs/dbraw/zinc/90/86/74/1016908674.db2.gz JBBABWGEERXYSM-SNVBAGLBSA-N -1 0 305.342 -0.332 20 0 DBADRM C[C@@H](OC(=O)COCc1ccnn1C)c1cn(CC(=O)[O-])nn1 ZINC001593533266 1016913596 /nfs/dbraw/zinc/91/35/96/1016913596.db2.gz BBXISCCNFPBLIX-SECBINFHSA-N -1 0 323.309 -0.083 20 0 DBADRM C[C@@H](OC(=O)CN1CCN(c2ccccn2)CC1)C(=O)C(=O)[O-] ZINC001593534273 1016914512 /nfs/dbraw/zinc/91/45/12/1016914512.db2.gz UKDALGPAXHKSAD-LLVKDONJSA-N -1 0 321.333 -0.211 20 0 DBADRM CCn1nncc1C(=O)N(C)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001597974016 1017222445 /nfs/dbraw/zinc/22/24/45/1017222445.db2.gz LXBLBYBLCPNPIY-DTWKUNHWSA-N -1 0 309.326 -0.793 20 0 DBADRM COC[C@H](NC(=O)c1nn(C)c2c1CCCC2)c1nnn[n-]1 ZINC001419557014 1004899636 /nfs/dbraw/zinc/89/96/36/1004899636.db2.gz TWXRPQUQOHEBJE-VIFPVBQESA-N -1 0 305.342 -0.071 20 0 DBADRM C[C@@H](OC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)NCC(=O)[O-] ZINC001593537287 1016918759 /nfs/dbraw/zinc/91/87/59/1016918759.db2.gz NYANDMRBDDSTJF-SSDOTTSWSA-N -1 0 313.314 -0.897 20 0 DBADRM S=C(NCCn1cnc(-c2nnn[n-]2)n1)NCc1ccon1 ZINC001593542290 1016918853 /nfs/dbraw/zinc/91/88/53/1016918853.db2.gz LMZTUWCNTNVNEF-UHFFFAOYSA-N -1 0 320.342 -0.890 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001419595152 1004912293 /nfs/dbraw/zinc/91/22/93/1004912293.db2.gz OFAOUROZLXJGIR-SNVBAGLBSA-N -1 0 315.399 -0.194 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001419589678 1004913731 /nfs/dbraw/zinc/91/37/31/1004913731.db2.gz KDYABYAWUANZSC-KOLCDFICSA-N -1 0 324.385 -0.494 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)cn1 ZINC001419600680 1004916345 /nfs/dbraw/zinc/91/63/45/1004916345.db2.gz ZUEBQFAJXOCNNP-JOYOIKCWSA-N -1 0 305.342 -0.552 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)CCCc2nnn[n-]2)CC1 ZINC001419689542 1004942356 /nfs/dbraw/zinc/94/23/56/1004942356.db2.gz DKVBLOWFCDJBJQ-UHFFFAOYSA-N -1 0 316.387 -0.937 20 0 DBADRM c1nc(-c2nnn[n-]2)nn1CCNc1ncnc2ncccc21 ZINC001593587786 1016921943 /nfs/dbraw/zinc/92/19/43/1016921943.db2.gz QDOYQEVWHJCGJK-UHFFFAOYSA-N -1 0 309.297 -0.092 20 0 DBADRM CO[C@@H]1CCCN(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001419806384 1004986480 /nfs/dbraw/zinc/98/64/80/1004986480.db2.gz NXHYVMVOGIUVFS-SECBINFHSA-N -1 0 306.326 -0.787 20 0 DBADRM c1n[nH]cc1CN1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001593558967 1016923288 /nfs/dbraw/zinc/92/32/88/1016923288.db2.gz PWSVHZYGENUFNC-UHFFFAOYSA-N -1 0 312.341 -0.298 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001419821526 1004989306 /nfs/dbraw/zinc/98/93/06/1004989306.db2.gz BFLSJCKXONGMJN-RNLVFQAGSA-N -1 0 302.356 -0.617 20 0 DBADRM C[C@H](OC(=O)c1cnc(C(=O)[O-])cn1)C(=O)N1CCNC1=O ZINC001593596972 1016929983 /nfs/dbraw/zinc/92/99/83/1016929983.db2.gz PSBXBDXMAZUZFS-LURJTMIESA-N -1 0 308.250 -0.728 20 0 DBADRM C[C@@H](OC(=O)c1cnc2c(c1)NC(=O)CN2C)C(=O)C(=O)[O-] ZINC001593597153 1016931484 /nfs/dbraw/zinc/93/14/84/1016931484.db2.gz UOGFATQRIZEIJZ-ZCFIWIBFSA-N -1 0 307.262 -0.331 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Cc1nccn1C ZINC001419986007 1005041122 /nfs/dbraw/zinc/04/11/22/1005041122.db2.gz KFBXXXXNNVJEQT-UHFFFAOYSA-N -1 0 321.341 -0.780 20 0 DBADRM CN(Cc1cccc(=O)[nH]1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001420016015 1005051800 /nfs/dbraw/zinc/05/18/00/1005051800.db2.gz JQBMAGSRCBFNEE-UHFFFAOYSA-N -1 0 314.305 -0.170 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001593606335 1016933105 /nfs/dbraw/zinc/93/31/05/1016933105.db2.gz NNQIOAURIPZGKX-RYUDHWBXSA-N -1 0 300.355 -0.201 20 0 DBADRM CCn1cc(C(=O)NCCN(C)C(=O)c2n[nH]c(C)c2[O-])nn1 ZINC001496498520 1016933053 /nfs/dbraw/zinc/93/30/53/1016933053.db2.gz NOCOKBYHTYLLLP-UHFFFAOYSA-N -1 0 321.341 -0.463 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001593606548 1016933667 /nfs/dbraw/zinc/93/36/67/1016933667.db2.gz RSWWANNDEITJMU-QWRGUYRKSA-N -1 0 316.354 -0.332 20 0 DBADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001593730617 1016934418 /nfs/dbraw/zinc/93/44/18/1016934418.db2.gz QJAGFEAMSGDPHU-JGVFFNPUSA-N -1 0 316.339 -0.732 20 0 DBADRM C[C@@H](c1nc(N)nc(N(C)C)n1)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001593733459 1016936512 /nfs/dbraw/zinc/93/65/12/1016936512.db2.gz FIVXKWKGGKUWLL-CIUDSAMLSA-N -1 0 310.358 -0.245 20 0 DBADRM C[C@]1(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CCCS1(=O)=O ZINC001593749768 1016937717 /nfs/dbraw/zinc/93/77/17/1016937717.db2.gz RRHKGLJGDFSUOH-QPUJVOFHSA-N -1 0 321.351 -0.714 20 0 DBADRM C[C@]1(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)CCNC1=O ZINC001593753576 1016938183 /nfs/dbraw/zinc/93/81/83/1016938183.db2.gz DOPWBMBLXSDTQA-CQSZACIVSA-N -1 0 321.337 -0.959 20 0 DBADRM CC1(C(=O)N[C@@H]2CN(c3ncc(C(=O)[O-])cn3)C[C@@H]2O)CC1 ZINC001593754963 1016938299 /nfs/dbraw/zinc/93/82/99/1016938299.db2.gz HYHFTJBVENSZKE-ZJUUUORDSA-N -1 0 306.322 -0.359 20 0 DBADRM C[C@@]1(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CCCS1(=O)=O ZINC001593749769 1016938397 /nfs/dbraw/zinc/93/83/97/1016938397.db2.gz RRHKGLJGDFSUOH-UFBFGSQYSA-N -1 0 321.351 -0.714 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(CC3CC3)CC2)C1 ZINC001593783621 1016939536 /nfs/dbraw/zinc/93/95/36/1016939536.db2.gz RMRNVVSCGGUOLY-MRXNPFEDSA-N -1 0 323.393 -0.136 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001593783353 1016939659 /nfs/dbraw/zinc/93/96/59/1016939659.db2.gz IOPXIFSRDIUQFQ-MEBBXXQBSA-N -1 0 320.349 -0.294 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(CC3CC3)CC2)C1 ZINC001593783620 1016940169 /nfs/dbraw/zinc/94/01/69/1016940169.db2.gz RMRNVVSCGGUOLY-INIZCTEOSA-N -1 0 323.393 -0.136 20 0 DBADRM CC1(C)C(=O)N(Cc2cccc(C(=O)[O-])n2)C(=O)N1CC(N)=O ZINC001593822845 1016941268 /nfs/dbraw/zinc/94/12/68/1016941268.db2.gz QDADXKAHOKWYIV-UHFFFAOYSA-N -1 0 320.305 -0.192 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)c2ccnc(N3CCOCC3)n2)C1 ZINC001593807979 1016941920 /nfs/dbraw/zinc/94/19/20/1016941920.db2.gz JCMIFPQUCABTHL-UHFFFAOYSA-N -1 0 306.322 -0.140 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])[C@H]2CCO[C@H]21 ZINC001593832552 1016941939 /nfs/dbraw/zinc/94/19/39/1016941939.db2.gz HMTOCGNKPCQOTE-ISUQUUIWSA-N -1 0 310.350 -0.247 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])[C@@H]2CCO[C@H]21 ZINC001593832556 1016942123 /nfs/dbraw/zinc/94/21/23/1016942123.db2.gz HMTOCGNKPCQOTE-RCZSTQMZSA-N -1 0 310.350 -0.247 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)OCC(=O)C1(C(=O)[O-])CC1 ZINC001593822738 1016942182 /nfs/dbraw/zinc/94/21/82/1016942182.db2.gz PCSZUTPBRFPMBM-UHFFFAOYSA-N -1 0 312.278 -0.706 20 0 DBADRM CC1(CNC(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CCC1 ZINC001594012075 1016948744 /nfs/dbraw/zinc/94/87/44/1016948744.db2.gz CMQIFRQOLAYBPY-LLVKDONJSA-N -1 0 312.366 -0.023 20 0 DBADRM CC1(C)CCC[C@H](CS(=O)(=O)N2CC(O)(C(=O)[O-])C2)O1 ZINC001593888130 1016943171 /nfs/dbraw/zinc/94/31/71/1016943171.db2.gz QPIQJABQDGTNNE-SECBINFHSA-N -1 0 307.368 -0.205 20 0 DBADRM CC1(C)CC[C@@H]1C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001593883639 1016943309 /nfs/dbraw/zinc/94/33/09/1016943309.db2.gz OABKTACFTSASSL-VHSXEESVSA-N -1 0 322.365 -0.078 20 0 DBADRM CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001593949542 1016944514 /nfs/dbraw/zinc/94/45/14/1016944514.db2.gz WLMPOGNDGATUMS-QMMMGPOBSA-N -1 0 302.308 -0.219 20 0 DBADRM CC1(C)COCCN1CCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593961086 1016944827 /nfs/dbraw/zinc/94/48/27/1016944827.db2.gz NLAFQLSGAOKWPG-PHIMTYICSA-N -1 0 320.411 -0.120 20 0 DBADRM CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001593949209 1016944932 /nfs/dbraw/zinc/94/49/32/1016944932.db2.gz QIJDVZPDHLRLTI-VIFPVBQESA-N -1 0 313.335 -0.417 20 0 DBADRM CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001593949561 1016945035 /nfs/dbraw/zinc/94/50/35/1016945035.db2.gz XDJPHFDDRXRZBL-VIFPVBQESA-N -1 0 313.335 -0.417 20 0 DBADRM CC1(C)CNC(=O)[C@H]1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001593949207 1016945231 /nfs/dbraw/zinc/94/52/31/1016945231.db2.gz QIJDVZPDHLRLTI-SECBINFHSA-N -1 0 313.335 -0.417 20 0 DBADRM CC1(C)[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)[C@@H]1O ZINC001593988305 1016946290 /nfs/dbraw/zinc/94/62/90/1016946290.db2.gz PALUGKJLKSNDRZ-KXNHARMFSA-N -1 0 324.377 -0.073 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOC[C@H]1C[C@@H]1CCOC1 ZINC001420287073 1005186891 /nfs/dbraw/zinc/18/68/91/1005186891.db2.gz BVRKSXCMKNUKFQ-VHSXEESVSA-N -1 0 312.326 -0.657 20 0 DBADRM CC1(C)OCC(CO)(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CO1 ZINC001593976213 1016946383 /nfs/dbraw/zinc/94/63/83/1016946383.db2.gz WKLNSRSSZAWXLO-BDAKNGLRSA-N -1 0 303.311 -0.751 20 0 DBADRM C[C@]1(CCC(=O)[O-])NC(=O)N(CC(=O)Nc2ccon2)C1=O ZINC001594001555 1016946400 /nfs/dbraw/zinc/94/64/00/1016946400.db2.gz GOBYSXGSMITWBN-GFCCVEGCSA-N -1 0 310.266 -0.212 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC3CC2(C(=O)[O-])C3)C1=O ZINC001593991729 1016946690 /nfs/dbraw/zinc/94/66/90/1016946690.db2.gz OWIOEJZLLZADMX-OOCCNLOMSA-N -1 0 321.333 -0.218 20 0 DBADRM CC1(C)OCC(C)(C(=O)NCCC(=O)NCCC(=O)[O-])CO1 ZINC001593974771 1016946747 /nfs/dbraw/zinc/94/67/47/1016946747.db2.gz YGYWFESVTQWYJO-UHFFFAOYSA-N -1 0 316.354 -0.127 20 0 DBADRM C[C@@]1(CCCC(=O)N2CCOC[C@@H]2C(=O)[O-])NC(=O)NC1=O ZINC001594000855 1016947049 /nfs/dbraw/zinc/94/70/49/1016947049.db2.gz IAPVTDASYGSOPF-OQPBUACISA-N -1 0 313.310 -0.933 20 0 DBADRM CC1(CC(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001593996023 1016947518 /nfs/dbraw/zinc/94/75/18/1016947518.db2.gz FCSHTGQOBVJKGG-ZJUUUORDSA-N -1 0 310.350 -0.413 20 0 DBADRM C[C@@]1(CC(=O)N2CC3CC2(C(=O)[O-])C3)CCS(=O)(=O)N1 ZINC001593996050 1016947575 /nfs/dbraw/zinc/94/75/75/1016947575.db2.gz FSWOCNPXQQXDOR-HBWJCNCUSA-N -1 0 302.352 -0.466 20 0 DBADRM C[C@]12COC[C@@H]1CN(C(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)C2 ZINC001594087525 1016955243 /nfs/dbraw/zinc/95/52/43/1016955243.db2.gz HYTNWAUPFBRKKC-RWSFTLGLSA-N -1 0 308.334 -0.229 20 0 DBADRM C[C@@]1(CO)C[C@@H](O)CN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001594031634 1016949697 /nfs/dbraw/zinc/94/96/97/1016949697.db2.gz BGKBKKCYMVRIJN-MFKMUULPSA-N -1 0 315.347 -0.109 20 0 DBADRM C[C@@]1(CNC(=O)COCc2ocnc2C(=O)[O-])CCC(=O)N1 ZINC001594015007 1016949739 /nfs/dbraw/zinc/94/97/39/1016949739.db2.gz ATCBGBYIOZPSSQ-ZDUSSCGKSA-N -1 0 311.294 -0.326 20 0 DBADRM CC1(CCNC(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CC1 ZINC001594006235 1016949829 /nfs/dbraw/zinc/94/98/29/1016949829.db2.gz GPACKHQPTPFHOO-LLVKDONJSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@@]1(CO)CCCN(C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC001594031758 1016950006 /nfs/dbraw/zinc/95/00/06/1016950006.db2.gz GEDKITYKZQIXDU-CQSZACIVSA-N -1 0 300.355 -0.022 20 0 DBADRM CC1(CCNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])OCCO1 ZINC001594006841 1016950552 /nfs/dbraw/zinc/95/05/52/1016950552.db2.gz BUIUCKJHWRARIE-NXEZZACHSA-N -1 0 302.327 -0.072 20 0 DBADRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H](O)CO ZINC001420380173 1005237235 /nfs/dbraw/zinc/23/72/35/1005237235.db2.gz CGURYXMBOISGSH-SNVBAGLBSA-N -1 0 316.379 -0.079 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001420381977 1005239078 /nfs/dbraw/zinc/23/90/78/1005239078.db2.gz SNOHMDYJVJSJGE-OKILXGFUSA-N -1 0 324.337 -0.730 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)OC)Cc1n[nH]c(=O)[n-]1 ZINC001420387530 1005241445 /nfs/dbraw/zinc/24/14/45/1005241445.db2.gz YQPBHNOABUIFFX-IUCAKERBSA-N -1 0 311.342 -0.743 20 0 DBADRM C[C@]1(NS(=O)(=O)C2CCC(C(=O)[O-])CC2)CCNC1=O ZINC001594061969 1016952746 /nfs/dbraw/zinc/95/27/46/1016952746.db2.gz QYTXUQJZEOZSTQ-KWPJZBAWSA-N -1 0 304.368 -0.172 20 0 DBADRM CC1([NH2+]Cc2n[nH]c(=O)[n-]2)CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001594060165 1016953039 /nfs/dbraw/zinc/95/30/39/1016953039.db2.gz KYIYRIRAKODQHJ-RKDXNWHRSA-N -1 0 323.353 -0.298 20 0 DBADRM CCN(CCNC(=O)c1cc(COC)on1)Cc1n[nH]c(=O)[n-]1 ZINC001420427132 1005256948 /nfs/dbraw/zinc/25/69/48/1005256948.db2.gz NHAKBRSUKGJGOB-UHFFFAOYSA-N -1 0 324.341 -0.103 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1cncn1C ZINC001420437954 1005260280 /nfs/dbraw/zinc/26/02/80/1005260280.db2.gz MHYWILGEJFRNDO-UHFFFAOYSA-N -1 0 323.357 -0.939 20 0 DBADRM O=C(NCc1cccc2c1OCCO2)c1n[nH]c(=O)[n-]c1=O ZINC001420479481 1005274289 /nfs/dbraw/zinc/27/42/89/1005274289.db2.gz BPPHFRBNGOUAAS-UHFFFAOYSA-N -1 0 304.262 -0.016 20 0 DBADRM O=C(Cc1ccon1)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001420483085 1005276156 /nfs/dbraw/zinc/27/61/56/1005276156.db2.gz ZYTGUWVHDNNIRK-SNVBAGLBSA-N -1 0 306.326 -0.178 20 0 DBADRM C[C@]1(CO)CCCN1C(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001594031164 1016949388 /nfs/dbraw/zinc/94/93/88/1016949388.db2.gz ZEFJMSFYQNIMIV-XHDPSFHLSA-N -1 0 312.366 -0.023 20 0 DBADRM COc1cccc([C@H](O)C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC001594123226 1016958714 /nfs/dbraw/zinc/95/87/14/1016958714.db2.gz GIOXGEKYYUHCAW-LBPRGKRZSA-N -1 0 322.317 -0.516 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC001594120536 1016959326 /nfs/dbraw/zinc/95/93/26/1016959326.db2.gz NUOHJPOTTLLHRS-SNVBAGLBSA-N -1 0 315.351 -0.109 20 0 DBADRM CC1=C(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)Cn2nnnc2N1C ZINC001594092083 1016959373 /nfs/dbraw/zinc/95/93/73/1016959373.db2.gz JRHNCWDJYCCFBI-XCBNKYQSSA-N -1 0 322.325 -0.903 20 0 DBADRM O=C(C[C@H]1CCOC1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001420515314 1005288081 /nfs/dbraw/zinc/28/80/81/1005288081.db2.gz IJUFFHHPOCQZSD-GHMZBOCLSA-N -1 0 309.370 -0.125 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)C1=O ZINC001594108525 1016959870 /nfs/dbraw/zinc/95/98/70/1016959870.db2.gz PPZDICNHIACWRL-DEZZCRIOSA-N -1 0 310.306 -0.824 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001594125819 1016961764 /nfs/dbraw/zinc/96/17/64/1016961764.db2.gz MSJOJDGPLWRFEX-VIFPVBQESA-N -1 0 307.306 -0.764 20 0 DBADRM COc1cccc([C@H](O)C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC001594124197 1016962060 /nfs/dbraw/zinc/96/20/60/1016962060.db2.gz RSCYIUIONRWCCE-YPMHNXCESA-N -1 0 323.301 -0.043 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001594126705 1016962113 /nfs/dbraw/zinc/96/21/13/1016962113.db2.gz RLQHKOWMCQEFQP-PSASIEDQSA-N -1 0 311.338 -0.750 20 0 DBADRM CCCN(CCNC(=O)Cc1nonc1C)Cc1n[nH]c(=O)[n-]1 ZINC001420604008 1005319181 /nfs/dbraw/zinc/31/91/81/1005319181.db2.gz ABZFUESAPLXCGZ-UHFFFAOYSA-N -1 0 323.357 -0.227 20 0 DBADRM CC1=C(C(=O)N2CC(C)(C(=O)[O-])C2)[C@@H](C)n2nnnc2N1C ZINC001594090735 1016955680 /nfs/dbraw/zinc/95/56/80/1016955680.db2.gz RLCFLJUULJFSOO-MRVPVSSYSA-N -1 0 306.326 -0.109 20 0 DBADRM CC1(Nc2ncc(C(=O)[O-])cn2)CCN(C(=O)CC(N)=O)CC1 ZINC001594065102 1016955831 /nfs/dbraw/zinc/95/58/31/1016955831.db2.gz MHAJEXJNFJGVHV-UHFFFAOYSA-N -1 0 321.337 -0.157 20 0 DBADRM C[C@@]12CN(C(=O)c3cc(C(=O)[O-])ccn3)C[C@@]1(C)C(=O)NC2=O ZINC001594089549 1016955883 /nfs/dbraw/zinc/95/58/83/1016955883.db2.gz XUVYJWPXDUPEGT-GJZGRUSLSA-N -1 0 317.301 -0.095 20 0 DBADRM C[C@]12COC[C@@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])C2 ZINC001594087123 1016955970 /nfs/dbraw/zinc/95/59/70/1016955970.db2.gz AKDAYAUNTMPZCN-HZMBPMFUSA-N -1 0 313.354 -0.355 20 0 DBADRM C[C@]12COC[C@@H]1CN(C(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1)C2 ZINC001594087524 1016956558 /nfs/dbraw/zinc/95/65/58/1016956558.db2.gz HYTNWAUPFBRKKC-PGUXBMHVSA-N -1 0 308.334 -0.229 20 0 DBADRM CC1=C(C(=O)N[C@@H](CC(F)F)C(=O)[O-])Cn2nnnc2N1C ZINC001594091785 1016956833 /nfs/dbraw/zinc/95/68/33/1016956833.db2.gz BRTGTYPXQJTEIQ-ZETCQYMHSA-N -1 0 316.268 -0.379 20 0 DBADRM C[C@@]1(c2ccc(C(=O)N[C@@H](CF)C(=O)[O-])cc2)NC(=O)NC1=O ZINC001594071457 1016957047 /nfs/dbraw/zinc/95/70/47/1016957047.db2.gz CMEDXOICWFAXLI-XPTSAGLGSA-N -1 0 323.280 -0.106 20 0 DBADRM COc1ccc2ncc(C(=O)N3CCOC[C@@H]3C(=O)[O-])n2n1 ZINC001594117339 1016958420 /nfs/dbraw/zinc/95/84/20/1016958420.db2.gz LKXPVYAEUZDEAT-SECBINFHSA-N -1 0 306.278 -0.337 20 0 DBADRM CC1=C(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)Cn2nnnc2N1C ZINC001594091854 1016958476 /nfs/dbraw/zinc/95/84/76/1016958476.db2.gz FFXJFMQQWZQFNC-RTHLEPHNSA-N -1 0 320.353 -0.034 20 0 DBADRM CC1=C(C(=O)NCCOCC(=O)[O-])[C@H](C)n2ncnc2N1C ZINC001594093878 1016958495 /nfs/dbraw/zinc/95/84/95/1016958495.db2.gz PWYWESNKLFSIAT-VIFPVBQESA-N -1 0 309.326 -0.220 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCc1cnn(C)c1 ZINC001594138794 1016963720 /nfs/dbraw/zinc/96/37/20/1016963720.db2.gz OWBHCWRPNNPAQC-MWLCHTKSSA-N -1 0 308.338 -0.600 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001594139116 1016965086 /nfs/dbraw/zinc/96/50/86/1016965086.db2.gz ROINDFPYGNUMCX-KKOKHZNYSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC001594139466 1016965324 /nfs/dbraw/zinc/96/53/24/1016965324.db2.gz TYXMFISSPZLAJL-NGDQXYMTSA-N -1 0 310.350 -0.463 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001594147642 1016967253 /nfs/dbraw/zinc/96/72/53/1016967253.db2.gz SRCINPHHDGUSTL-ZJUUUORDSA-N -1 0 308.338 -0.297 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCCOCCS(C)(=O)=O ZINC001594150114 1016968157 /nfs/dbraw/zinc/96/81/57/1016968157.db2.gz QYRGJYPVOAWMHF-UWVGGRQHSA-N -1 0 322.383 -0.448 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCc1nnc2n1CCNC2=O ZINC001594154074 1016968692 /nfs/dbraw/zinc/96/86/92/1016968692.db2.gz TXPVFIVLVRGRCP-SFYZADRCSA-N -1 0 322.325 -0.974 20 0 DBADRM COc1cnc(C(C)(C)NC(=O)[C@H]2CC(C(=O)[O-])=NO2)[nH]c1=O ZINC001594152825 1016968721 /nfs/dbraw/zinc/96/87/21/1016968721.db2.gz HCAKHBMMHZJOJB-SSDOTTSWSA-N -1 0 324.293 -0.228 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001594163589 1016970034 /nfs/dbraw/zinc/97/00/34/1016970034.db2.gz GHKLQMMEYYZUGJ-GFCCVEGCSA-N -1 0 305.352 -0.439 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC001594158533 1016971686 /nfs/dbraw/zinc/97/16/86/1016971686.db2.gz IOQZPLLWHRHLPK-APPZFPTMSA-N -1 0 313.335 -0.336 20 0 DBADRM COc1ncc(CCNC(=O)c2cnc(C(=O)[O-])cn2)cn1 ZINC001594156790 1016971989 /nfs/dbraw/zinc/97/19/89/1016971989.db2.gz GPBNKMUROSWKPF-UHFFFAOYSA-N -1 0 303.278 -0.054 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001594165101 1016973062 /nfs/dbraw/zinc/97/30/62/1016973062.db2.gz LPUHSNYKFRQDBO-JTQLQIEISA-N -1 0 300.336 -0.372 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCO1 ZINC001594165531 1016973080 /nfs/dbraw/zinc/97/30/80/1016973080.db2.gz SZJWIHMUGDCXPR-OPRDCNLKSA-N -1 0 305.352 -0.631 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(C(=O)CCCCC(=O)[O-])CCO1 ZINC001594165558 1016973501 /nfs/dbraw/zinc/97/35/01/1016973501.db2.gz UWRQVLYLSYOKJM-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM Cc1conc1C(=O)NC[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)C(C)C ZINC001496629810 1016974093 /nfs/dbraw/zinc/97/40/93/1016974093.db2.gz LVRFAZVONXITFN-JTQLQIEISA-N -1 0 322.369 -0.051 20 0 DBADRM CS(=O)(=O)C1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC001594163676 1016974091 /nfs/dbraw/zinc/97/40/91/1016974091.db2.gz GTJYXIPHMGTNQR-UHFFFAOYSA-N -1 0 320.367 -0.694 20 0 DBADRM CS(=O)(=O)[C@H]1CCCCN(CN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC001594164017 1016974133 /nfs/dbraw/zinc/97/41/33/1016974133.db2.gz KPQJFMWOXOPORZ-MNOVXSKESA-N -1 0 318.395 -0.224 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001594163778 1016974601 /nfs/dbraw/zinc/97/46/01/1016974601.db2.gz KEJSMFPIPNNKJB-MNOVXSKESA-N -1 0 318.395 -0.366 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)Nc2ncn(CC(=O)[O-])n2)co1 ZINC001594172255 1016978859 /nfs/dbraw/zinc/97/88/59/1016978859.db2.gz NKNXJIPDASGPAD-UHFFFAOYSA-N -1 0 314.279 -0.389 20 0 DBADRM CS(=O)(=O)N1CC[C@H](COC(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC001594169704 1016975507 /nfs/dbraw/zinc/97/55/07/1016975507.db2.gz GOOBJDKBAHQGAV-WCBMZHEXSA-N -1 0 305.352 -0.078 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594169607 1016976056 /nfs/dbraw/zinc/97/60/56/1016976056.db2.gz YZVUWEGBNVTHCE-UWVGGRQHSA-N -1 0 322.383 -0.688 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001594170007 1016976267 /nfs/dbraw/zinc/97/62/67/1016976267.db2.gz HDYGYAHUCYPXCH-UHFFFAOYSA-N -1 0 316.339 -0.738 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001594167683 1016976482 /nfs/dbraw/zinc/97/64/82/1016976482.db2.gz FLAGOMXNCVFZRY-GARJFASQSA-N -1 0 318.395 -0.115 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001594168369 1016976512 /nfs/dbraw/zinc/97/65/12/1016976512.db2.gz SQBRBUUIKHDMOA-UHFFFAOYSA-N -1 0 319.383 -0.616 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])n1 ZINC001594168100 1016976930 /nfs/dbraw/zinc/97/69/30/1016976930.db2.gz DPGLYHWLVVBMAL-RKDXNWHRSA-N -1 0 315.351 -0.023 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC001594170282 1016977036 /nfs/dbraw/zinc/97/70/36/1016977036.db2.gz JZRQCCVUPDBTJD-LBPRGKRZSA-N -1 0 302.352 -0.443 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(C(=O)C2(C(=O)[O-])CCC2)C1 ZINC001594169952 1016977073 /nfs/dbraw/zinc/97/70/73/1016977073.db2.gz FDSAJWWTPUENPG-VIFPVBQESA-N -1 0 304.368 -0.361 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)C2(CC(=O)[O-])CCC2)C1 ZINC001594170698 1016979135 /nfs/dbraw/zinc/97/91/35/1016979135.db2.gz ROVGBRHDXYINJA-UHFFFAOYSA-N -1 0 304.368 -0.172 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC001594170724 1016978449 /nfs/dbraw/zinc/97/84/49/1016978449.db2.gz STEWGGCCLVJRMS-SCZZXKLOSA-N -1 0 304.368 -0.505 20 0 DBADRM C[S@@](=O)CCCNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001594178282 1016978548 /nfs/dbraw/zinc/97/85/48/1016978548.db2.gz IZWMRKOKHYFJCZ-OAQYLSRUSA-N -1 0 313.335 -0.397 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)Nc2cc(C(=O)[O-])ccn2)C1 ZINC001594171060 1016978562 /nfs/dbraw/zinc/97/85/62/1016978562.db2.gz YWFOPFCNIMAJRU-UHFFFAOYSA-N -1 0 314.323 -0.455 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(=O)[O-])s1 ZINC001594175387 1016978654 /nfs/dbraw/zinc/97/86/54/1016978654.db2.gz ZUZYNWQSHLPUCZ-UHFFFAOYSA-N -1 0 321.332 -0.491 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001594178235 1016979988 /nfs/dbraw/zinc/97/99/88/1016979988.db2.gz IHUQTPKACGRUOA-HXUWFJFHSA-N -1 0 302.396 -0.236 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1nnnn1CCCN1CCCC1=O ZINC001594174622 1016980145 /nfs/dbraw/zinc/98/01/45/1016980145.db2.gz SEUAZBZUHSATSU-MNOVXSKESA-N -1 0 322.369 -0.015 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC001594178214 1016980193 /nfs/dbraw/zinc/98/01/93/1016980193.db2.gz HQROOTLNUUWJGT-NLQQUQSOSA-N -1 0 302.396 -0.380 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001594198287 1016985061 /nfs/dbraw/zinc/98/50/61/1016985061.db2.gz GITFNFFXMKNJMU-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CO)[C@H]2C)C[C@H]1C(=O)[O-] ZINC001594188919 1016981105 /nfs/dbraw/zinc/98/11/05/1016981105.db2.gz XYRFFKNEODOFRA-WISYIIOYSA-N -1 0 312.366 -0.215 20 0 DBADRM CS(=O)(=O)c1nnc(CN[C@]2(C(=O)[O-])CCOC2)s1 ZINC001594178585 1016981130 /nfs/dbraw/zinc/98/11/30/1016981130.db2.gz NMHLDYUHCOXERY-SECBINFHSA-N -1 0 307.353 -0.725 20 0 DBADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594179990 1016981427 /nfs/dbraw/zinc/98/14/27/1016981427.db2.gz UUHNLSIGJKOJAR-KFCNXOJCSA-N -1 0 322.364 -0.097 20 0 DBADRM CS[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC001594182053 1016981737 /nfs/dbraw/zinc/98/17/37/1016981737.db2.gz ZPXVPRIQBJADOQ-NXEZZACHSA-N -1 0 318.395 -0.006 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)O[C@H]1C(=O)[O-] ZINC001594179678 1016981780 /nfs/dbraw/zinc/98/17/80/1016981780.db2.gz ODARNPWPKQJCHE-RCZSTQMZSA-N -1 0 319.379 -0.101 20 0 DBADRM CSCc1nc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)n[nH]1 ZINC001594189260 1016981811 /nfs/dbraw/zinc/98/18/11/1016981811.db2.gz ZNGTXFKBXNPLFQ-ZETCQYMHSA-N -1 0 315.355 -0.337 20 0 DBADRM C[C@@H](OC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC001594210246 1016985220 /nfs/dbraw/zinc/98/52/20/1016985220.db2.gz AABODNKIXNLROZ-RXMQYKEDSA-N -1 0 312.303 -0.071 20 0 DBADRM CS(C)(=O)=NCCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001594179223 1016982466 /nfs/dbraw/zinc/98/24/66/1016982466.db2.gz VMOUICDLPUZREO-QMMMGPOBSA-N -1 0 313.401 -0.903 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)O[C@H]1C(=O)[O-] ZINC001594179679 1016982612 /nfs/dbraw/zinc/98/26/12/1016982612.db2.gz ODARNPWPKQJCHE-ZKKRXERASA-N -1 0 319.379 -0.101 20 0 DBADRM C[S@](=O)[C@H]1CC[C@@H](NC(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001594178801 1016982974 /nfs/dbraw/zinc/98/29/74/1016982974.db2.gz NZVPPJHFXRDSQL-RDLWGGRYSA-N -1 0 300.340 -0.608 20 0 DBADRM CSc1nnc(CNCCS(=O)(=O)CC(=O)[O-])s1 ZINC001594198589 1016984596 /nfs/dbraw/zinc/98/45/96/1016984596.db2.gz ICBDXCRNOOFNIH-UHFFFAOYSA-N -1 0 311.410 -0.151 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)[C@H](C)O1 ZINC001594201343 1016984614 /nfs/dbraw/zinc/98/46/14/1016984614.db2.gz HYGPRYDTKHTWFP-KXUCPTDWSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CCO1 ZINC001594201706 1016984654 /nfs/dbraw/zinc/98/46/54/1016984654.db2.gz YZPOVRBCPWGTQM-MXWKQRLJSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@H]1CC(=O)NCCN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594198225 1016985507 /nfs/dbraw/zinc/98/55/07/1016985507.db2.gz DNTPFJZHIXVKCV-AEJSXWLSSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001594219241 1016986452 /nfs/dbraw/zinc/98/64/52/1016986452.db2.gz IWEYBKQDKXIEBU-KXUCPTDWSA-N -1 0 304.368 -0.773 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001594220505 1016986718 /nfs/dbraw/zinc/98/67/18/1016986718.db2.gz SVANPZNVCKKQRK-GMTAPVOTSA-N -1 0 306.384 -0.416 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC001594223436 1016987857 /nfs/dbraw/zinc/98/78/57/1016987857.db2.gz DJWCAKOLOYRYLA-PTRXPTGYSA-N -1 0 319.383 -0.871 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC001594225763 1016988172 /nfs/dbraw/zinc/98/81/72/1016988172.db2.gz SFNMKGZNCJXWMV-UTBFZLOTSA-N -1 0 323.349 -0.066 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC001594217826 1016988193 /nfs/dbraw/zinc/98/81/93/1016988193.db2.gz CAYVSMVSXNYOLS-GMTAPVOTSA-N -1 0 318.395 -0.431 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001594223008 1016988520 /nfs/dbraw/zinc/98/85/20/1016988520.db2.gz WBOAGVJVHLXNMI-BKQRNIBNSA-N -1 0 323.349 -0.066 20 0 DBADRM C[C@H](O)CCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594242502 1016989409 /nfs/dbraw/zinc/98/94/09/1016989409.db2.gz IQEZSPZSBLYDJV-UWVGGRQHSA-N -1 0 301.343 -0.478 20 0 DBADRM C[C@@H]1[C@H](NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CCS1(=O)=O ZINC001594231248 1016990262 /nfs/dbraw/zinc/99/02/62/1016990262.db2.gz LXUDGNYXSVLZCN-GWOFURMSSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@H](O)CCNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594242503 1016990428 /nfs/dbraw/zinc/99/04/28/1016990428.db2.gz IQEZSPZSBLYDJV-VHSXEESVSA-N -1 0 301.343 -0.478 20 0 DBADRM C[C@H]1COCCN1C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594245823 1016990865 /nfs/dbraw/zinc/99/08/65/1016990865.db2.gz HHYUBNJPIBYLAO-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM C[C@H](NC(N)=O)C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001594240625 1016991042 /nfs/dbraw/zinc/99/10/42/1016991042.db2.gz DYSIZAFGKRFBJF-AEJSXWLSSA-N -1 0 323.353 -0.506 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC1CC(C)C1)C(=O)[O-] ZINC001594244648 1016991207 /nfs/dbraw/zinc/99/12/07/1016991207.db2.gz XDKDGIVUYBYAAW-ZNHWEVIXSA-N -1 0 306.384 -0.070 20 0 DBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001594248962 1016992411 /nfs/dbraw/zinc/99/24/11/1016992411.db2.gz FJAXJPQWLJRGFQ-MNOVXSKESA-N -1 0 323.353 -0.702 20 0 DBADRM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)[C@H](C)C(=O)[O-] ZINC001594254093 1016992533 /nfs/dbraw/zinc/99/25/33/1016992533.db2.gz RPSROXFTDVDUSH-VIFPVBQESA-N -1 0 310.354 -0.006 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CO1 ZINC001594249340 1016993134 /nfs/dbraw/zinc/99/31/34/1016993134.db2.gz LYWOQKIFVDJNJI-GMTAPVOTSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)[C@@H](C)O1 ZINC001594249004 1016993832 /nfs/dbraw/zinc/99/38/32/1016993832.db2.gz ILIQZQUSGZEAOO-QGKZMRNZSA-N -1 0 314.338 -0.631 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)Cn2ccc(C(=O)[O-])n2)CCS1(=O)=O ZINC001594252812 1016994170 /nfs/dbraw/zinc/99/41/70/1016994170.db2.gz JAVZPRMZXUYFAY-BDAKNGLRSA-N -1 0 315.351 -0.337 20 0 DBADRM C[C@@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)CCN1C(=O)CC(N)=O ZINC001594265669 1016995521 /nfs/dbraw/zinc/99/55/21/1016995521.db2.gz KHQYHAYIVVXSFQ-BDAKNGLRSA-N -1 0 321.337 -0.737 20 0 DBADRM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN[C@@](C)(CO)C(=O)[O-] ZINC001594366761 1016999647 /nfs/dbraw/zinc/99/96/47/1016999647.db2.gz QYDPCQCYGKEYNU-RULNRJAQSA-N -1 0 315.370 -0.184 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC001594376580 1017000323 /nfs/dbraw/zinc/00/03/23/1017000323.db2.gz VHEAANYZVLMGTH-PWSUYJOCSA-N -1 0 312.366 -0.071 20 0 DBADRM Cc1c(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)cnn1C ZINC001594262057 1016996022 /nfs/dbraw/zinc/99/60/22/1016996022.db2.gz QSYYWSGLTDYSHP-NSHDSACASA-N -1 0 308.338 -0.332 20 0 DBADRM C[C@H]1C[C@@H](NS(=O)(=O)c2scnc2C(=O)[O-])C(=O)O1 ZINC001594267111 1016996215 /nfs/dbraw/zinc/99/62/15/1016996215.db2.gz VGCGRSBBHBLXRY-CRCLSJGQSA-N -1 0 306.321 -0.176 20 0 DBADRM C[C@H]1C[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])c2ncnn21 ZINC001594264349 1016996266 /nfs/dbraw/zinc/99/62/66/1016996266.db2.gz OVLABXGNAHUTAO-FSPLSTOPSA-N -1 0 312.311 -0.316 20 0 DBADRM C[C@@H]1C[C@H](S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])CCO1 ZINC001594265355 1016997091 /nfs/dbraw/zinc/99/70/91/1016997091.db2.gz BCGHVQYZNQXNOH-GWOFURMSSA-N -1 0 307.368 -0.206 20 0 DBADRM Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001594268992 1016997653 /nfs/dbraw/zinc/99/76/53/1016997653.db2.gz DQUIQUAJMDVHAM-VIFPVBQESA-N -1 0 322.321 -0.570 20 0 DBADRM C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001594295841 1016997776 /nfs/dbraw/zinc/99/77/76/1016997776.db2.gz IYDWUGBXIQFSHL-BQBZGAKWSA-N -1 0 316.339 -0.618 20 0 DBADRM C[C@H]1CCCCN1S(=O)(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001594376120 1017000995 /nfs/dbraw/zinc/00/09/95/1017000995.db2.gz BHLJWVNQDKFDET-BMQDGWLCSA-N -1 0 306.384 -0.079 20 0 DBADRM C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001594378921 1017001508 /nfs/dbraw/zinc/00/15/08/1017001508.db2.gz PEFKUAMKVZQQBE-WPRPVWTQSA-N -1 0 321.337 -0.301 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001594377881 1017002363 /nfs/dbraw/zinc/00/23/63/1017002363.db2.gz DKSYMPKYWZEQCK-SECBINFHSA-N -1 0 309.326 -0.649 20 0 DBADRM C[C@H]1CCCc2nc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cn21 ZINC001594389083 1017002474 /nfs/dbraw/zinc/00/24/74/1017002474.db2.gz QDYICJQKCCFRMI-YUMQZZPRSA-N -1 0 303.340 -0.496 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C[C@@H]1CO ZINC001594392540 1017003009 /nfs/dbraw/zinc/00/30/09/1017003009.db2.gz HEVLUXOZBJDYQW-DZUFCKETSA-N -1 0 324.377 -0.167 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[C@H]1CCO ZINC001594377723 1017003227 /nfs/dbraw/zinc/00/32/27/1017003227.db2.gz CJJUPUVHPKGDCC-WYUUTHIRSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H]1CCCc2nc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cn21 ZINC001594389081 1017003272 /nfs/dbraw/zinc/00/32/72/1017003272.db2.gz QDYICJQKCCFRMI-JGVFFNPUSA-N -1 0 303.340 -0.496 20 0 DBADRM Cc1cccc([C@H](NC(=O)Cn2cnc(C(N)=O)n2)C(=O)[O-])c1 ZINC001594398221 1017005096 /nfs/dbraw/zinc/00/50/96/1017005096.db2.gz SEXSPCBPUJFCQD-NSHDSACASA-N -1 0 317.305 -0.372 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001594421070 1017006443 /nfs/dbraw/zinc/00/64/43/1017006443.db2.gz CBIFBGQSLMJBGZ-JTQLQIEISA-N -1 0 321.333 -0.045 20 0 DBADRM CC1CCN(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CC1 ZINC001594414539 1017005612 /nfs/dbraw/zinc/00/56/12/1017005612.db2.gz IVRRAUXIFMIFEJ-LLVKDONJSA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC[S@@]1=O ZINC001594402089 1017006182 /nfs/dbraw/zinc/00/61/82/1017006182.db2.gz OHEQDXOVGWWXMS-SQFXPLBJSA-N -1 0 300.340 -0.654 20 0 DBADRM Cc1n[nH]cc1CN(C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594442404 1017012354 /nfs/dbraw/zinc/01/23/54/1017012354.db2.gz VSIXDYVPBIXREM-NSHDSACASA-N -1 0 308.338 0.000 20 0 DBADRM Cc1ccccc1[C@@H]1C(=O)NCCN1CC(=O)NCC(=O)[O-] ZINC001594417306 1017007266 /nfs/dbraw/zinc/00/72/66/1017007266.db2.gz YMQQXZYAXBOTQK-CQSZACIVSA-N -1 0 305.334 -0.331 20 0 DBADRM C[C@H]1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])CCO1 ZINC001594402102 1017007516 /nfs/dbraw/zinc/00/75/16/1017007516.db2.gz OWEBWGFFNZYMMK-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC001594430287 1017008440 /nfs/dbraw/zinc/00/84/40/1017008440.db2.gz PIOWBIGDDUBJFH-QMMMGPOBSA-N -1 0 313.335 -0.122 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)N1CCC(C)CC1)C(=O)[O-] ZINC001594429186 1017009271 /nfs/dbraw/zinc/00/92/71/1017009271.db2.gz OSEPVPLUDIGIPW-UWVGGRQHSA-N -1 0 321.399 -0.470 20 0 DBADRM Cc1cnc(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)o1 ZINC001594429018 1017009291 /nfs/dbraw/zinc/00/92/91/1017009291.db2.gz QSYPFTHIWWQIOH-UHFFFAOYSA-N -1 0 316.335 -0.121 20 0 DBADRM Cc1ccnc(NC(=O)CN(C)[C@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC001594424376 1017009957 /nfs/dbraw/zinc/00/99/57/1017009957.db2.gz KMQSINQODJLCNF-NSHDSACASA-N -1 0 320.349 -0.054 20 0 DBADRM Cc1nc2ccc(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])cn2n1 ZINC001594464132 1017017191 /nfs/dbraw/zinc/01/71/91/1017017191.db2.gz FTWKWIPKUFFYTB-ZETCQYMHSA-N -1 0 305.294 -0.044 20 0 DBADRM C[C@H]1CN(C(=O)C(N)=O)C[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001594462557 1017017519 /nfs/dbraw/zinc/01/75/19/1017017519.db2.gz LGLNBFFFPNUQKN-IONNQARKSA-N -1 0 307.310 -0.834 20 0 DBADRM CCC(CC)C(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001428741634 1006014556 /nfs/dbraw/zinc/01/45/56/1006014556.db2.gz NPZGXNRIWCJODT-QMMMGPOBSA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1nc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c(C(=O)NCCO)n1C ZINC001594460146 1017017961 /nfs/dbraw/zinc/01/79/61/1017017961.db2.gz QDKZPYMNUMFVAR-RKDXNWHRSA-N -1 0 324.337 -0.500 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C[C@H](C2CC2)O1 ZINC001594457707 1017018642 /nfs/dbraw/zinc/01/86/42/1017018642.db2.gz IZRVKMQMGXENFX-UJNFCWOMSA-N -1 0 302.302 -0.449 20 0 DBADRM CCN1CCOC[C@@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001440254827 1006030538 /nfs/dbraw/zinc/03/05/38/1006030538.db2.gz JZYGKJLFFRVHMW-VIFPVBQESA-N -1 0 311.342 -0.948 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001594438875 1017013007 /nfs/dbraw/zinc/01/30/07/1017013007.db2.gz IOHNNYMJRWWLSF-XCBNKYQSSA-N -1 0 313.335 -0.417 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@H](O)[C@@H](C)C2)C[C@]1(C)C(=O)[O-] ZINC001594455209 1017015838 /nfs/dbraw/zinc/01/58/38/1017015838.db2.gz RMMLKUAONPEULO-VEABSNGSSA-N -1 0 312.366 -0.215 20 0 DBADRM Cc1nnc([C@H]2CCCN(C(=O)C(=O)NCCC(=O)[O-])C2)[nH]1 ZINC001594451444 1017015912 /nfs/dbraw/zinc/01/59/12/1017015912.db2.gz BOJSPEFUTPMCNH-VIFPVBQESA-N -1 0 309.326 -0.590 20 0 DBADRM Cc1nnc([C@H]2CCN(C(=O)c3cn(CC(=O)[O-])nn3)C2)[nH]1 ZINC001594451472 1017016084 /nfs/dbraw/zinc/01/60/84/1017016084.db2.gz DBMDIUHRGLFUAE-QMMMGPOBSA-N -1 0 305.298 -0.581 20 0 DBADRM C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001594462558 1017019472 /nfs/dbraw/zinc/01/94/72/1017019472.db2.gz LGLNBFFFPNUQKN-VXNVDRBHSA-N -1 0 307.310 -0.834 20 0 DBADRM Cc1nc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])sc1C ZINC001594456873 1017019806 /nfs/dbraw/zinc/01/98/06/1017019806.db2.gz QTQMXUZDOLFALF-NSHDSACASA-N -1 0 301.324 -0.350 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001440379033 1006087424 /nfs/dbraw/zinc/08/74/24/1006087424.db2.gz KXMNQDIUFPORJZ-VIFPVBQESA-N -1 0 309.326 -0.780 20 0 DBADRM Cc1ncc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])s1 ZINC001594468317 1017021629 /nfs/dbraw/zinc/02/16/29/1017021629.db2.gz SAUWYENFSDHHGT-SSDOTTSWSA-N -1 0 304.349 -0.225 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)CCC3CC3)[C@@H](O)C2)c1[O-] ZINC001428902940 1006108566 /nfs/dbraw/zinc/10/85/66/1006108566.db2.gz AILHAJGPPBOBTR-MNOVXSKESA-N -1 0 322.365 -0.085 20 0 DBADRM C[C@H]1CN(C(=O)NC2CC(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001594470189 1017022837 /nfs/dbraw/zinc/02/28/37/1017022837.db2.gz FBBWKDYBGRCVOH-IDKOKCKLSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@@H]1CN(C(=O)CCCc2nnn[n-]2)CC[N@@H+]1CCC(=O)[O-] ZINC001594465964 1017023169 /nfs/dbraw/zinc/02/31/69/1017023169.db2.gz XREYBTZTIOIXKJ-SNVBAGLBSA-N -1 0 310.358 -0.470 20 0 DBADRM C[C@H]1CN(C(=O)NCCn2cc(C(=O)[O-])nn2)C[C@@]1(C)CO ZINC001594475611 1017024308 /nfs/dbraw/zinc/02/43/08/1017024308.db2.gz MMIVRIHYXZZFIG-ZANVPECISA-N -1 0 311.342 -0.364 20 0 DBADRM C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nn2)CCN1CCO ZINC001594481345 1017024449 /nfs/dbraw/zinc/02/44/49/1017024449.db2.gz VSVWVVUZXYFDMO-SECBINFHSA-N -1 0 309.326 -0.295 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C[C@H](C)S1(=O)=O ZINC001594474289 1017024879 /nfs/dbraw/zinc/02/48/79/1017024879.db2.gz DYBHWBJAMBOHMR-AXTSPUMRSA-N -1 0 304.368 -0.076 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ncc(C(=O)[O-])cc2=O)CC(C)(C)O1 ZINC001594471184 1017024977 /nfs/dbraw/zinc/02/49/77/1017024977.db2.gz UAZMJTLFMRXIHO-SECBINFHSA-N -1 0 309.322 -0.033 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(C=O)n(C)n2)CCN1CCC(=O)[O-] ZINC001594488965 1017028130 /nfs/dbraw/zinc/02/81/30/1017028130.db2.gz MXAOCACFGRHZTA-SNVBAGLBSA-N -1 0 308.338 -0.146 20 0 DBADRM Cc1nnc([C@H](C)NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])o1 ZINC001594490338 1017028223 /nfs/dbraw/zinc/02/82/23/1017028223.db2.gz AWKDQXNQHUDKBE-XPUUQOCRSA-N -1 0 304.328 -0.178 20 0 DBADRM Cc1nnc(CN(C)C(=O)c2cccn(CC(=O)[O-])c2=O)o1 ZINC001594491287 1017028329 /nfs/dbraw/zinc/02/83/29/1017028329.db2.gz PSICKBAZJJIHSN-UHFFFAOYSA-N -1 0 306.278 -0.103 20 0 DBADRM Cc1nn(CCS(=O)(=O)N(CC(=O)[O-])C(C)C)c(=O)o1 ZINC001594488417 1017028579 /nfs/dbraw/zinc/02/85/79/1017028579.db2.gz DENVZSAAMBVXLP-UHFFFAOYSA-N -1 0 307.328 -0.730 20 0 DBADRM Cc1nncn1CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001594493973 1017028759 /nfs/dbraw/zinc/02/87/59/1017028759.db2.gz LCJJHNOFHVXCAE-SNVBAGLBSA-N -1 0 309.326 -0.974 20 0 DBADRM Cc1nnsc1CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594494975 1017029244 /nfs/dbraw/zinc/02/92/44/1017029244.db2.gz CGBOYLLZNAFTHN-QMMMGPOBSA-N -1 0 312.351 -0.214 20 0 DBADRM Cc1nnc(N2CCN(C(=O)CSCC(=O)[O-])CC2)n1C ZINC001594493318 1017029621 /nfs/dbraw/zinc/02/96/21/1017029621.db2.gz ZIAORTHXPRLJAA-UHFFFAOYSA-N -1 0 313.383 -0.410 20 0 DBADRM Cc1nnc(Cn2nnc(C(=O)NC[C@H](C)C(=O)[O-])c2C)o1 ZINC001594493237 1017030126 /nfs/dbraw/zinc/03/01/26/1017030126.db2.gz VVIRUMUZTIWTBP-LURJTMIESA-N -1 0 308.298 -0.223 20 0 DBADRM Cc1nn(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(=O)n1C ZINC001594487337 1017030251 /nfs/dbraw/zinc/03/02/51/1017030251.db2.gz NINBICVYXOJSFS-LBPRGKRZSA-N -1 0 318.333 -0.298 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001594500216 1017031006 /nfs/dbraw/zinc/03/10/06/1017031006.db2.gz STAJVSPRNMEVEE-VIFPVBQESA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@H]1OCC[C@]12CN(CC(=O)NCCC(=O)[O-])C[C@@H](C)O2 ZINC001594506473 1017032445 /nfs/dbraw/zinc/03/24/45/1017032445.db2.gz IUMRSCVCKPMHBC-GYSYKLTISA-N -1 0 300.355 -0.154 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)Cc1n[nH]c(=O)[n-]1 ZINC001496748257 1017032887 /nfs/dbraw/zinc/03/28/87/1017032887.db2.gz FAKAIXLEGZXTGG-OQEOFVATSA-N -1 0 321.381 -0.176 20 0 DBADRM C[C@H]1CN(CC(=O)NCCC(=O)[O-])C[C@@]2(CCCOC2)O1 ZINC001594508697 1017033752 /nfs/dbraw/zinc/03/37/52/1017033752.db2.gz YOSJDUVDLOMDSO-SMDDNHRTSA-N -1 0 300.355 -0.153 20 0 DBADRM Cc1noc([C@@H](C)NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC001594496035 1017033843 /nfs/dbraw/zinc/03/38/43/1017033843.db2.gz QUFKUKHRADBCJT-UHLUBPPHSA-N -1 0 310.310 -0.122 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594499124 1017034309 /nfs/dbraw/zinc/03/43/09/1017034309.db2.gz KPMNVQCVDNIFTI-AEJSXWLSSA-N -1 0 304.368 -0.268 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)NC1CC=CC1 ZINC001594514523 1017037129 /nfs/dbraw/zinc/03/71/29/1017037129.db2.gz YZERPZCNENYAHK-NSHDSACASA-N -1 0 309.366 -0.171 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)NC/C=C\Cl ZINC001594514231 1017037345 /nfs/dbraw/zinc/03/73/45/1017037345.db2.gz VFTXTLHQENCRIQ-WUWIAWFRSA-N -1 0 317.773 -0.138 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)COCC(F)F)c1[O-] ZINC001429225285 1006296982 /nfs/dbraw/zinc/29/69/82/1006296982.db2.gz FDUACLBUMOQPNB-UHFFFAOYSA-N -1 0 320.296 -0.106 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C[C@H]1CCS(=O)(=O)C1 ZINC001594521911 1017041053 /nfs/dbraw/zinc/04/10/53/1017041053.db2.gz LLGWDROHDUTLFE-NWDGAFQWSA-N -1 0 304.412 -0.098 20 0 DBADRM C[C@H]1CN(CCNS(=O)(=O)C2(C(=O)[O-])CCC2)CCO1 ZINC001594531044 1017041739 /nfs/dbraw/zinc/04/17/39/1017041739.db2.gz GMVJATYALSVWAK-JTQLQIEISA-N -1 0 306.384 -0.366 20 0 DBADRM Cn1cc(/C=C\C(=O)Nc2n[nH]cc2C(=O)[O-])c(=O)n(C)c1=O ZINC001594537551 1017042045 /nfs/dbraw/zinc/04/20/45/1017042045.db2.gz KQCQIPDYKISNGB-ARJAWSKDSA-N -1 0 319.277 -0.843 20 0 DBADRM C[C@H]1CN(CN(CCN2CCOCC2)CC(=O)[O-])C(=O)[C@@H]1C ZINC001594532143 1017042415 /nfs/dbraw/zinc/04/24/15/1017042415.db2.gz UPZTUKARRPPPBO-QWHCGFSZSA-N -1 0 313.398 -0.223 20 0 DBADRM C[C@@H]1CN(CCO)CCN1Cc1noc(CCCC(=O)[O-])n1 ZINC001594531565 1017043175 /nfs/dbraw/zinc/04/31/75/1017043175.db2.gz LBITYTJRMOBUJL-LLVKDONJSA-N -1 0 312.370 -0.025 20 0 DBADRM C[C@H]1CN(CCO)CCN1Cc1noc(CCCC(=O)[O-])n1 ZINC001594531566 1017044170 /nfs/dbraw/zinc/04/41/70/1017044170.db2.gz LBITYTJRMOBUJL-NSHDSACASA-N -1 0 312.370 -0.025 20 0 DBADRM C[C@H]1CN(CCNS(=O)(=O)c2occc2C(=O)[O-])CCO1 ZINC001594532572 1017044278 /nfs/dbraw/zinc/04/42/78/1017044278.db2.gz YEWANPUWPLQFMU-VIFPVBQESA-N -1 0 318.351 -0.023 20 0 DBADRM Cc1cn(C)nc1C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440921132 1006363163 /nfs/dbraw/zinc/36/31/63/1006363163.db2.gz RKZKOLKWMWNVMA-VIFPVBQESA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC(=O)N1C ZINC001594550515 1017045350 /nfs/dbraw/zinc/04/53/50/1017045350.db2.gz MRUJFKRAFOVZNJ-VIFPVBQESA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C[C@@]1(C)CO ZINC001594553624 1017045880 /nfs/dbraw/zinc/04/58/80/1017045880.db2.gz DQXDYBIEGLWMPD-HQJQHLMTSA-N -1 0 303.340 -0.253 20 0 DBADRM C[C@@H]1CO[C@H](C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001594587575 1017050204 /nfs/dbraw/zinc/05/02/04/1017050204.db2.gz PKUPBNKLLNBGDU-IUCAKERBSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])CC[S@@](=O)C1 ZINC001594555084 1017046720 /nfs/dbraw/zinc/04/67/20/1017046720.db2.gz ISRNDMAPBMLNHW-DYBLOJMWSA-N -1 0 312.413 -0.662 20 0 DBADRM C[C@H]1CN(c2nnnn2[C@@H]2CC=C(C(=O)[O-])C2)CC(=O)N1C ZINC001594583395 1017046761 /nfs/dbraw/zinc/04/67/61/1017046761.db2.gz GTEJTGGIPLKGTL-WCBMZHEXSA-N -1 0 306.326 -0.314 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])cn2C)CC(=O)N1 ZINC001594555300 1017046922 /nfs/dbraw/zinc/04/69/22/1017046922.db2.gz LRKIXXAMMWAUPH-SSDOTTSWSA-N -1 0 301.324 -0.768 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)[C@@H](C)CN1C ZINC001594560922 1017047552 /nfs/dbraw/zinc/04/75/52/1017047552.db2.gz FERKWFBYKDWJHR-ZJUUUORDSA-N -1 0 316.383 -0.319 20 0 DBADRM COCc1cc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001440978379 1006399643 /nfs/dbraw/zinc/39/96/43/1006399643.db2.gz PGJTYUPKZNVTJR-MRVPVSSYSA-N -1 0 324.341 -0.105 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCN1CCO ZINC001594555140 1017047648 /nfs/dbraw/zinc/04/76/48/1017047648.db2.gz KZCVSHUMYJZMJE-SECBINFHSA-N -1 0 317.367 -0.600 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])CC[S@](=O)C1 ZINC001594555085 1017047966 /nfs/dbraw/zinc/04/79/66/1017047966.db2.gz ISRNDMAPBMLNHW-LZVRBXCZSA-N -1 0 312.413 -0.662 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])no2)CCN1CCO ZINC001594554327 1017048117 /nfs/dbraw/zinc/04/81/17/1017048117.db2.gz NGDDEZDLXFNTSF-MRVPVSSYSA-N -1 0 319.339 -0.940 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001594640264 1017056742 /nfs/dbraw/zinc/05/67/42/1017056742.db2.gz NRRVTQQANCAEHH-LKFCYVNXSA-N -1 0 310.306 -0.797 20 0 DBADRM CC(C)[C@@H]1C[C@@H]1C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429469120 1006432269 /nfs/dbraw/zinc/43/22/69/1006432269.db2.gz UITPQQHFUVKPFB-IUCAKERBSA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNC(=O)COCc1ocnc1C(=O)[O-] ZINC001594640745 1017055167 /nfs/dbraw/zinc/05/51/67/1017055167.db2.gz SZVUFNOSCOFJRU-OQPBUACISA-N -1 0 314.294 -0.455 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cccc2c1O[C@H](C)C(=O)N2)C(=O)[O-] ZINC001594651535 1017055224 /nfs/dbraw/zinc/05/52/24/1017055224.db2.gz SLXZUHNOIPJLQT-XSSZXYGBSA-N -1 0 308.290 -0.030 20 0 DBADRM C[C@@H]1OCC[C@@]12CN(C(=O)Cn1cc(C(=O)[O-])cn1)CCO2 ZINC001594641756 1017055316 /nfs/dbraw/zinc/05/53/16/1017055316.db2.gz BATSDBQZXTYNDD-IINYFYTJSA-N -1 0 309.322 -0.012 20 0 DBADRM C[C@H]1OCC[C@]12CN(C(=O)Cn1cc(C(=O)[O-])cn1)CCO2 ZINC001594641758 1017055646 /nfs/dbraw/zinc/05/56/46/1017055646.db2.gz BATSDBQZXTYNDD-YGRLFVJLSA-N -1 0 309.322 -0.012 20 0 DBADRM C[C@@H]1OCC[C@]12CN(Cn1nc(C(=O)[O-])ccc1=O)CCO2 ZINC001594641783 1017055707 /nfs/dbraw/zinc/05/57/07/1017055707.db2.gz BHOGVXUPVQQXJG-HZMBPMFUSA-N -1 0 309.322 -0.221 20 0 DBADRM C[C@H]1OCC[C@H]1C(=O)N(C)CCNc1ccnc(C(=O)[O-])n1 ZINC001594643148 1017056226 /nfs/dbraw/zinc/05/62/26/1017056226.db2.gz RJFTZOSXYLVQNI-NXEZZACHSA-N -1 0 308.338 -0.108 20 0 DBADRM C[C@H]1OCC[C@@]12CN(CCc1cn(CC(=O)[O-])nn1)CCO2 ZINC001594641969 1017056576 /nfs/dbraw/zinc/05/65/76/1017056576.db2.gz FMXGYSISZUPADY-BXUZGUMPSA-N -1 0 310.354 -0.215 20 0 DBADRM CCN(CCNC(=O)COC)C(=O)c1c[n-]n2c1nccc2=O ZINC001429527416 1006461853 /nfs/dbraw/zinc/46/18/53/1006461853.db2.gz UXLKLQFHDMBZNZ-UHFFFAOYSA-N -1 0 321.337 -0.753 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001594607247 1017050737 /nfs/dbraw/zinc/05/07/37/1017050737.db2.gz FUVINIOZCOZBQI-VIFPVBQESA-N -1 0 311.342 -0.040 20 0 DBADRM C[C@@H]1COCCCN1C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001594603526 1017050934 /nfs/dbraw/zinc/05/09/34/1017050934.db2.gz KFCJUTLPJUQKHM-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H](CC(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001441079364 1006465012 /nfs/dbraw/zinc/46/50/12/1006465012.db2.gz KOOMKHSVFNVUPH-JTQLQIEISA-N -1 0 323.397 -0.001 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)cc2CN1 ZINC001594625376 1017052589 /nfs/dbraw/zinc/05/25/89/1017052589.db2.gz IUXZZERVNXTXMX-KOLCDFICSA-N -1 0 308.338 -0.310 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001594609658 1017052909 /nfs/dbraw/zinc/05/29/09/1017052909.db2.gz IYNJOSKSLJPCLG-SECBINFHSA-N -1 0 312.347 -0.032 20 0 DBADRM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001594626946 1017053164 /nfs/dbraw/zinc/05/31/64/1017053164.db2.gz QJIRTLZLARZSRZ-YIZRAAEISA-N -1 0 324.341 -0.717 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001594610699 1017053549 /nfs/dbraw/zinc/05/35/49/1017053549.db2.gz SKTVZNRGXIGWCZ-MRVPVSSYSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001594629460 1017053562 /nfs/dbraw/zinc/05/35/62/1017053562.db2.gz IZUUZOOXASUTPY-YIZRAAEISA-N -1 0 304.368 -0.079 20 0 DBADRM C[C@H]1Oc2ccccc2N(CCC(=O)N[C@@H](CO)C(=O)[O-])C1=O ZINC001594655503 1017057340 /nfs/dbraw/zinc/05/73/40/1017057340.db2.gz SLSZNXIIZMHQGK-ZJUUUORDSA-N -1 0 322.317 -0.248 20 0 DBADRM C[C@@H]1c2nncn2CCN1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001594670581 1017057549 /nfs/dbraw/zinc/05/75/49/1017057549.db2.gz CRJGEAAUDYEXTR-OPRDCNLKSA-N -1 0 309.326 -0.146 20 0 DBADRM CCC(=O)N1CC[C@@H](N2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)C1 ZINC001594700517 1017058357 /nfs/dbraw/zinc/05/83/57/1017058357.db2.gz WRUNAXPKYCGYLU-CDLYGTGVSA-N -1 0 309.322 -0.362 20 0 DBADRM CCC(=O)N1CC[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001594700573 1017058443 /nfs/dbraw/zinc/05/84/43/1017058443.db2.gz XMAIELTUNGRLNQ-ZETCQYMHSA-N -1 0 316.339 -0.603 20 0 DBADRM CCC(=O)N1CC[C@@H](n2nnnc2N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1 ZINC001594699727 1017058582 /nfs/dbraw/zinc/05/85/82/1017058582.db2.gz FSAXCHONXFFDRR-SVDPJWKOSA-N -1 0 320.353 -0.377 20 0 DBADRM CCN(CCNC(=O)c1[nH]nnc1C)C(=O)c1n[nH]c(C)c1[O-] ZINC001429661155 1006515929 /nfs/dbraw/zinc/51/59/29/1006515929.db2.gz RPOGBKAVRFAOCX-UHFFFAOYSA-N -1 0 321.341 -0.258 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001594699739 1017058813 /nfs/dbraw/zinc/05/88/13/1017058813.db2.gz GBVJRVSGCXRSPS-DCAQKATOSA-N -1 0 313.354 -0.119 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)NCC(=O)OC ZINC001594742767 1017063280 /nfs/dbraw/zinc/06/32/80/1017063280.db2.gz HNACWSXSTDGMJK-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM C[C@@H]1Oc2ccccc2N(CC(=O)N2CC(O)(C(=O)[O-])C2)C1=O ZINC001594654963 1017059246 /nfs/dbraw/zinc/05/92/46/1017059246.db2.gz LPCLWRCAEHUASA-VIFPVBQESA-N -1 0 320.301 -0.542 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC001594761900 1017063560 /nfs/dbraw/zinc/06/35/60/1017063560.db2.gz JOPSVFYTOJHCTQ-SNVBAGLBSA-N -1 0 312.326 -0.305 20 0 DBADRM CCC(=O)N1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001594700805 1017060830 /nfs/dbraw/zinc/06/08/30/1017060830.db2.gz PYEHGLUNUJDZHG-IUCAKERBSA-N -1 0 314.342 -0.815 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001594706755 1017060918 /nfs/dbraw/zinc/06/09/18/1017060918.db2.gz UPHSSYUIQDZUQI-BBBLOLIVSA-N -1 0 314.338 -0.234 20 0 DBADRM CCC(=O)NCC(=O)N(C)CCCNc1ncc(C(=O)[O-])cn1 ZINC001594708167 1017061071 /nfs/dbraw/zinc/06/10/71/1017061071.db2.gz QHRXYIAKEXVEDC-UHFFFAOYSA-N -1 0 323.353 -0.039 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001594705834 1017061116 /nfs/dbraw/zinc/06/11/16/1017061116.db2.gz GBLFFZARAVLQML-SECBINFHSA-N -1 0 323.353 -0.358 20 0 DBADRM CCC(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001594712195 1017061715 /nfs/dbraw/zinc/06/17/15/1017061715.db2.gz AODZGHGLCQRWGI-IUCAKERBSA-N -1 0 322.321 -0.455 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594706937 1017061915 /nfs/dbraw/zinc/06/19/15/1017061915.db2.gz XWLXHKYPAVBHJU-QMMMGPOBSA-N -1 0 320.367 -0.951 20 0 DBADRM O=C(C[C@H]1CCCO1)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001441272727 1006554079 /nfs/dbraw/zinc/55/40/79/1006554079.db2.gz LPQXOZXJOQBQTP-KKOKHZNYSA-N -1 0 321.381 -0.127 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC001594741900 1017062612 /nfs/dbraw/zinc/06/26/12/1017062612.db2.gz XYLVBGXQXKEZMA-VHSXEESVSA-N -1 0 307.368 -0.241 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC001594741899 1017062743 /nfs/dbraw/zinc/06/27/43/1017062743.db2.gz XYLVBGXQXKEZMA-UWVGGRQHSA-N -1 0 307.368 -0.241 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001594755884 1017063001 /nfs/dbraw/zinc/06/30/01/1017063001.db2.gz AMFGTEZTTDUDLE-SSDOTTSWSA-N -1 0 314.385 -0.729 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(CCOC)CC1)C(=O)[O-] ZINC001594894272 1017069759 /nfs/dbraw/zinc/06/97/59/1017069759.db2.gz OMJLEOHPXPCJFD-GXTWGEPZSA-N -1 0 315.414 -0.134 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN[C@@]1(C(=O)OC)CCOC1)C(=O)[O-] ZINC001594896434 1017070022 /nfs/dbraw/zinc/07/00/22/1017070022.db2.gz IRSXHRUKKVVJSR-PXWWUCIGSA-N -1 0 316.354 -0.476 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)[C@H](C)NC(C)=O)C(=O)[O-] ZINC001594902911 1017069374 /nfs/dbraw/zinc/06/93/74/1017069374.db2.gz CZOSOMPQFQAHIB-FYBVGQRMSA-N -1 0 302.327 -0.330 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN[C@@]1(C(=O)OC)CCOC1)C(=O)[O-] ZINC001594896428 1017069501 /nfs/dbraw/zinc/06/95/01/1017069501.db2.gz IRSXHRUKKVVJSR-CHIMOYNISA-N -1 0 316.354 -0.476 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)C1(CO)COC1)C(=O)[O-] ZINC001594897409 1017069527 /nfs/dbraw/zinc/06/95/27/1017069527.db2.gz ONVOHPOMZOBUAD-WPRPVWTQSA-N -1 0 303.311 -0.846 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001594745191 1017064401 /nfs/dbraw/zinc/06/44/01/1017064401.db2.gz MWYWCMUIXBFEOI-CMPLNLGQSA-N -1 0 311.382 -0.092 20 0 DBADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC001594816549 1017064943 /nfs/dbraw/zinc/06/49/43/1017064943.db2.gz HLGOCMPIMZKPCK-JOYOIKCWSA-N -1 0 321.399 -0.339 20 0 DBADRM CC[C@](C)(NC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)C(=O)[O-] ZINC001594835175 1017065150 /nfs/dbraw/zinc/06/51/50/1017065150.db2.gz FZQMVADJADLCIA-OTYXRUKQSA-N -1 0 315.370 -0.238 20 0 DBADRM CC[C@](C)(NC(=O)C1CCN(S(=O)(=O)NC)CC1)C(=O)[O-] ZINC001594836683 1017065192 /nfs/dbraw/zinc/06/51/92/1017065192.db2.gz DJLKBGQCSCDOHA-LBPRGKRZSA-N -1 0 321.399 -0.468 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)O[C@@H]1CCN(CCC(=O)OC)C1=O ZINC001594765017 1017066170 /nfs/dbraw/zinc/06/61/70/1017066170.db2.gz LOGKVENEBIQWRY-DTWKUNHWSA-N -1 0 301.295 -0.196 20 0 DBADRM CC[C@@](C)(NC(=O)C1=CN(C)S(=O)(=O)N=C1C)C(=O)[O-] ZINC001594836377 1017066486 /nfs/dbraw/zinc/06/64/86/1017066486.db2.gz WXKNCIORMYLYDG-LLVKDONJSA-N -1 0 303.340 -0.109 20 0 DBADRM C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1nncn1C ZINC001441446080 1006650549 /nfs/dbraw/zinc/65/05/49/1006650549.db2.gz GNXRUHJCSQBFIO-SSDOTTSWSA-N -1 0 302.298 -0.923 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)CC3(O)CCC3)C2)nc1=O ZINC001441495268 1006685485 /nfs/dbraw/zinc/68/54/85/1006685485.db2.gz VRVPMQLKOCQJFM-AOOOYVTPSA-N -1 0 309.370 -0.850 20 0 DBADRM CCC(=O)NCC(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001441567042 1006728210 /nfs/dbraw/zinc/72/82/10/1006728210.db2.gz QUWGFPGFFNKCFM-SNVBAGLBSA-N -1 0 324.385 -0.635 20 0 DBADRM O=C(CCCF)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001430169077 1006730957 /nfs/dbraw/zinc/73/09/57/1006730957.db2.gz GFJZLQVYACRQIO-ZKCHVHJHSA-N -1 0 315.305 -0.798 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)CC(C)(C)O)C2)c1[O-] ZINC001430211810 1006764885 /nfs/dbraw/zinc/76/48/85/1006764885.db2.gz BVECMQKBONJDIR-DTORHVGOSA-N -1 0 310.354 -0.038 20 0 DBADRM C[C@H](C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C(C)(C)C ZINC001430249312 1006789134 /nfs/dbraw/zinc/78/91/34/1006789134.db2.gz JCNBQQOYRZMLIG-SSDOTTSWSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1nc(C)c(CN[C@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001441678923 1006803936 /nfs/dbraw/zinc/80/39/36/1006803936.db2.gz ANFAVWFIXTZWCX-JTQLQIEISA-N -1 0 323.353 -0.091 20 0 DBADRM CC1(CCC(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001430302911 1006809906 /nfs/dbraw/zinc/80/99/06/1006809906.db2.gz OUGHEODMWGTEBE-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CCc1occc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001441694163 1006812276 /nfs/dbraw/zinc/81/22/76/1006812276.db2.gz HFYRMFQNGKXYQQ-MRVPVSSYSA-N -1 0 309.326 -0.454 20 0 DBADRM O=C(CC1CC(F)(F)C1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001441710054 1006826947 /nfs/dbraw/zinc/82/69/47/1006826947.db2.gz AUIOVCGSWGKLCP-QMMMGPOBSA-N -1 0 319.312 -0.488 20 0 DBADRM CC1(CC(=O)NCC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001430400329 1006842578 /nfs/dbraw/zinc/84/25/78/1006842578.db2.gz JKVPPPFAMWKQDH-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001430406387 1006845516 /nfs/dbraw/zinc/84/55/16/1006845516.db2.gz PGPFIKIPTKPIAF-WCBMZHEXSA-N -1 0 323.353 -0.690 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)CNC(=O)C2CC2)c1[O-] ZINC001430482417 1006870182 /nfs/dbraw/zinc/87/01/82/1006870182.db2.gz UHNCUJAABJPFPR-ZETCQYMHSA-N -1 0 323.353 -0.816 20 0 DBADRM CN(C(=O)c1cncnc1)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001598098548 1017233482 /nfs/dbraw/zinc/23/34/82/1017233482.db2.gz PLSFGLUCHRFFJW-GHMZBOCLSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)c1cnn(C)c1)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598098071 1017233663 /nfs/dbraw/zinc/23/36/63/1017233663.db2.gz LTBMHVCFWKKCMK-MNOVXSKESA-N -1 0 306.322 -0.576 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@H](F)C(=O)[O-])O1 ZINC001598117487 1017234091 /nfs/dbraw/zinc/23/40/91/1017234091.db2.gz JQABATAOSRUQBM-CIUDSAMLSA-N -1 0 305.306 -0.656 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C23CC(C(=O)[O-])(C2)C3)O1 ZINC001598116254 1017234392 /nfs/dbraw/zinc/23/43/92/1017234392.db2.gz ALSFBCNVPBAYQP-YAGSZDGKSA-N -1 0 310.350 -0.007 20 0 DBADRM CN1CC[C@@H](C(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)C1=O ZINC001598160920 1017242253 /nfs/dbraw/zinc/24/22/53/1017242253.db2.gz NXXVNSCGTRMEPQ-QMMMGPOBSA-N -1 0 313.335 -0.544 20 0 DBADRM CN1CC[C@H](C(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)C1=O ZINC001598160918 1017242302 /nfs/dbraw/zinc/24/23/02/1017242302.db2.gz NXXVNSCGTRMEPQ-MRVPVSSYSA-N -1 0 313.335 -0.544 20 0 DBADRM CN(C)C(=O)CN1CCN(Cc2cncc(C(=O)[O-])c2)CC1 ZINC001598130271 1017235304 /nfs/dbraw/zinc/23/53/04/1017235304.db2.gz WWLNMSVOGJENGB-UHFFFAOYSA-N -1 0 306.366 -0.014 20 0 DBADRM CN(C)C(=O)CN1CCN(C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)CC1 ZINC001598129932 1017235391 /nfs/dbraw/zinc/23/53/91/1017235391.db2.gz HWZARHYSQMILCT-KOLCDFICSA-N -1 0 305.325 -0.342 20 0 DBADRM CN(C)C(=O)CCCC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001598121878 1017235665 /nfs/dbraw/zinc/23/56/65/1017235665.db2.gz NABCBFZQOHURHD-ZDUSSCGKSA-N -1 0 300.355 -0.071 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)c2ccoc2CC(=O)[O-])C1 ZINC001598130569 1017235781 /nfs/dbraw/zinc/23/57/81/1017235781.db2.gz JMSCQMZEPLPCNL-UHFFFAOYSA-N -1 0 310.306 -0.164 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)NCC2(C(=O)[O-])CC2)n1 ZINC001598135318 1017238641 /nfs/dbraw/zinc/23/86/41/1017238641.db2.gz PDNKXLXTITZOST-UHFFFAOYSA-N -1 0 310.314 -0.647 20 0 DBADRM CN(C)C(=O)OCCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001598145956 1017239463 /nfs/dbraw/zinc/23/94/63/1017239463.db2.gz UUHXGNUGPOVBAI-UHFFFAOYSA-N -1 0 323.352 -0.182 20 0 DBADRM CN(C)C(=O)OCCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598143984 1017239615 /nfs/dbraw/zinc/23/96/15/1017239615.db2.gz CDROGUBVGIKYNI-SECBINFHSA-N -1 0 315.326 -0.876 20 0 DBADRM CN(C)[C@H](C(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1)c1cncn1C ZINC001598163644 1017240902 /nfs/dbraw/zinc/24/09/02/1017240902.db2.gz WHVPEUKYVNSHNC-WZRBSPASSA-N -1 0 324.381 -0.124 20 0 DBADRM CN(C)[C@]1(C(=O)N2CC(O)(C(=O)[O-])C2)COc2ccccc2C1 ZINC001598176332 1017241625 /nfs/dbraw/zinc/24/16/25/1017241625.db2.gz NMRDSQGINADILG-HNNXBMFYSA-N -1 0 320.345 -0.420 20 0 DBADRM CN(C)C1(CS(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])CC1 ZINC001598184485 1017241667 /nfs/dbraw/zinc/24/16/67/1017241667.db2.gz UXSLYTZUDDGAET-SECBINFHSA-N -1 0 308.425 -0.088 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cnn(C)c2N)C1 ZINC001597998394 1017226360 /nfs/dbraw/zinc/22/63/60/1017226360.db2.gz LWJGZQOJCQCNFW-IUCAKERBSA-N -1 0 321.337 -0.994 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cnn(C)c2)C1 ZINC001597998298 1017226905 /nfs/dbraw/zinc/22/69/05/1017226905.db2.gz KMMPGKDIVVGQNV-QWRGUYRKSA-N -1 0 306.322 -0.576 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)C2=COCCO2)C1 ZINC001597998320 1017227092 /nfs/dbraw/zinc/22/70/92/1017227092.db2.gz KUJSOANOZOKEFE-NXEZZACHSA-N -1 0 310.306 -0.736 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)Cc2cnoc2)C1 ZINC001597998192 1017227163 /nfs/dbraw/zinc/22/71/63/1017227163.db2.gz IMRKRGDAUFJJGG-GHMZBOCLSA-N -1 0 307.306 -0.393 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)Cc2ccon2)C1 ZINC001597998721 1017228069 /nfs/dbraw/zinc/22/80/69/1017228069.db2.gz SLKCHLADLQUICW-WDEREUQCSA-N -1 0 307.306 -0.393 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(CCCS(C)(=O)=O)C1 ZINC001597998872 1017228134 /nfs/dbraw/zinc/22/81/34/1017228134.db2.gz WQQDMIFYSITKOG-GHMZBOCLSA-N -1 0 318.395 -0.716 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)Cc2ccon2)C1 ZINC001597998719 1017228147 /nfs/dbraw/zinc/22/81/47/1017228147.db2.gz SLKCHLADLQUICW-MNOVXSKESA-N -1 0 307.306 -0.393 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001597998780 1017228162 /nfs/dbraw/zinc/22/81/62/1017228162.db2.gz UTEXHWKBWQTECU-NWDGAFQWSA-N -1 0 319.317 -0.677 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001597998779 1017228890 /nfs/dbraw/zinc/22/88/90/1017228890.db2.gz UTEXHWKBWQTECU-NEPJUHHUSA-N -1 0 319.317 -0.677 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(CC(=O)NC(C)(C)C)C1 ZINC001597999014 1017229061 /nfs/dbraw/zinc/22/90/61/1017229061.db2.gz ZNHHFJNSZUPKRM-QWRGUYRKSA-N -1 0 311.382 -0.236 20 0 DBADRM CN(C(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1)C1CC1 ZINC001598023152 1017229501 /nfs/dbraw/zinc/22/95/01/1017229501.db2.gz SEZIIFXKZWFDCD-NEPJUHHUSA-N -1 0 309.366 -0.528 20 0 DBADRM CN(C(=O)NCc1nnc2n1CCOC2)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598052411 1017231395 /nfs/dbraw/zinc/23/13/95/1017231395.db2.gz LAYWHKSGNMQUMI-DTORHVGOSA-N -1 0 309.326 -0.187 20 0 DBADRM CN(C(=O)NC[C@H]1C[C@H]1C(=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001598049765 1017232151 /nfs/dbraw/zinc/23/21/51/1017232151.db2.gz AMRORZQCPUDROP-OPRDCNLKSA-N -1 0 319.383 -0.618 20 0 DBADRM CN(C)C1(CS(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1 ZINC001598184541 1017242567 /nfs/dbraw/zinc/24/25/67/1017242567.db2.gz WKOAISJTQBXNLI-ZJUUUORDSA-N -1 0 306.384 -0.822 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cc(C(=O)[O-])no2)O1 ZINC001598117117 1017233175 /nfs/dbraw/zinc/23/31/75/1017233175.db2.gz HZRXHLZRWFSHEQ-VXNVDRBHSA-N -1 0 311.294 -0.262 20 0 DBADRM C[C@@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)NC(=O)C1CC1 ZINC001430720050 1007011010 /nfs/dbraw/zinc/01/10/10/1007011010.db2.gz VETIKJWAJAARBF-QMMMGPOBSA-N -1 0 318.337 -0.898 20 0 DBADRM CCC(=O)NC[C@H](C)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001430948930 1007081588 /nfs/dbraw/zinc/08/15/88/1007081588.db2.gz SDQKSZZPBSRMRJ-VIFPVBQESA-N -1 0 305.338 -0.085 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001442049424 1007144424 /nfs/dbraw/zinc/14/44/24/1007144424.db2.gz UWCIERZZWCYEBG-VIFPVBQESA-N -1 0 324.341 -0.628 20 0 DBADRM C[C@H](CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001431066485 1007175235 /nfs/dbraw/zinc/17/52/35/1007175235.db2.gz RBJJDVJEWPLKAO-IWSPIJDZSA-N -1 0 311.342 -0.644 20 0 DBADRM CC(=O)NCC[C@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431159614 1007228088 /nfs/dbraw/zinc/22/80/88/1007228088.db2.gz VGKUIYUOGKGQNJ-SECBINFHSA-N -1 0 309.326 -0.196 20 0 DBADRM C[C@H](C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001431180514 1007247526 /nfs/dbraw/zinc/24/75/26/1007247526.db2.gz HDKWZRCBECFGMU-QMMMGPOBSA-N -1 0 311.342 -0.690 20 0 DBADRM COCCN(CCNC(=O)c1cn(C)cn1)Cc1n[nH]c(=O)[n-]1 ZINC001442177467 1007292879 /nfs/dbraw/zinc/29/28/79/1007292879.db2.gz YYYFAKTTXGFGDQ-UHFFFAOYSA-N -1 0 323.357 -0.878 20 0 DBADRM COCCN(CCNC(=O)c1conc1C)Cc1n[nH]c(=O)[n-]1 ZINC001442194661 1007307942 /nfs/dbraw/zinc/30/79/42/1007307942.db2.gz GUKRFEQFCNOQEU-UHFFFAOYSA-N -1 0 324.341 -0.315 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2C2CC2)c1[O-] ZINC001431516481 1007565846 /nfs/dbraw/zinc/56/58/46/1007565846.db2.gz WMAUIHVZXHWPTO-GARJFASQSA-N -1 0 322.365 -0.323 20 0 DBADRM CCC(=O)NC[C@H](C)N(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001442608585 1007573661 /nfs/dbraw/zinc/57/36/61/1007573661.db2.gz QUXBMHWLBJCNFZ-QMMMGPOBSA-N -1 0 311.342 -0.412 20 0 DBADRM C[C@H](CNC(=O)c1ccc[nH]1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001442629494 1007586790 /nfs/dbraw/zinc/58/67/90/1007586790.db2.gz BAKJXGQMWMHUNX-MRVPVSSYSA-N -1 0 322.325 -0.706 20 0 DBADRM CCN(CCNC(=O)C[C@H]1CCN(C)C1=O)Cc1n[nH]c(=O)[n-]1 ZINC001442678366 1007611008 /nfs/dbraw/zinc/61/10/08/1007611008.db2.gz OVXBEPPOLOQDSE-SNVBAGLBSA-N -1 0 324.385 -0.683 20 0 DBADRM CCN(CCNC(=O)c1cn(C)c(=O)[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001442732849 1007635365 /nfs/dbraw/zinc/63/53/65/1007635365.db2.gz UFMJVORGQXQTGF-UHFFFAOYSA-N -1 0 309.330 -0.799 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CC1(C)C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001442737997 1007637605 /nfs/dbraw/zinc/63/76/05/1007637605.db2.gz SWTGYHPUOQSYSN-SFYZADRCSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNC(=O)c2ncn(C)n2)c1[O-] ZINC001442742738 1007641348 /nfs/dbraw/zinc/64/13/48/1007641348.db2.gz RJKJYUADQHTZOC-ZETCQYMHSA-N -1 0 321.341 -0.557 20 0 DBADRM CSCC(=O)NC[C@@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001431651232 1007656307 /nfs/dbraw/zinc/65/63/07/1007656307.db2.gz QSBYJRWKNBKGND-MRVPVSSYSA-N -1 0 323.378 -0.380 20 0 DBADRM C[C@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001431710768 1007683390 /nfs/dbraw/zinc/68/33/90/1007683390.db2.gz ZOMUXYIPIAELNX-YIZRAAEISA-N -1 0 323.353 -0.508 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)Oc1cccnc1C(=O)[O-] ZINC001598283052 1017255212 /nfs/dbraw/zinc/25/52/12/1017255212.db2.gz CPLNVOCXOQMYNA-LJQANCHMSA-N -1 0 323.352 -0.022 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CN2CC[C@](O)(C(=O)[O-])C2)o1 ZINC001598270757 1017255233 /nfs/dbraw/zinc/25/52/33/1017255233.db2.gz LAFSLNACJFOGJZ-GFCCVEGCSA-N -1 0 318.351 -0.449 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)[C@H]1CC12CC2 ZINC001442861234 1007690308 /nfs/dbraw/zinc/69/03/08/1007690308.db2.gz IQIUTFBJMYFNPR-JGVFFNPUSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(C)[C@H](C)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431750933 1007696618 /nfs/dbraw/zinc/69/66/18/1007696618.db2.gz ORNXKDSGAMGYLC-SFYZADRCSA-N -1 0 311.342 -0.191 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001442893037 1007701244 /nfs/dbraw/zinc/70/12/44/1007701244.db2.gz ANMBPHNOGYMWJU-FXQIFTODSA-N -1 0 309.326 -0.485 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)CN1CCOC[C@@H]1CC(=O)[O-] ZINC001598282969 1017255294 /nfs/dbraw/zinc/25/52/94/1017255294.db2.gz QUHDKALRHPPIOW-LXGOIASLSA-N -1 0 307.372 -0.737 20 0 DBADRM CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])CC(=O)N(C)C ZINC001442915261 1007716649 /nfs/dbraw/zinc/71/66/49/1007716649.db2.gz GOJCKMPVBMNWAH-UHFFFAOYSA-N -1 0 311.386 -0.046 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC001598259376 1017249219 /nfs/dbraw/zinc/24/92/19/1017249219.db2.gz JKZSZZPLASQKDK-MRVPVSSYSA-N -1 0 310.397 -0.704 20 0 DBADRM CN(C)S(=O)(=O)[C@H]1CCCN(Cn2cc(C(=O)[O-])nn2)C1 ZINC001598259297 1017250472 /nfs/dbraw/zinc/25/04/72/1017250472.db2.gz FRGXERQJKVRTDQ-VIFPVBQESA-N -1 0 317.371 -0.710 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001598261554 1017250695 /nfs/dbraw/zinc/25/06/95/1017250695.db2.gz FYHJJFZNVHBPLS-UHFFFAOYSA-N -1 0 317.327 -0.812 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001598266883 1017251624 /nfs/dbraw/zinc/25/16/24/1017251624.db2.gz IMKSVGSLQVFPOQ-JTQLQIEISA-N -1 0 321.399 -0.468 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001598266893 1017251945 /nfs/dbraw/zinc/25/19/45/1017251945.db2.gz JMBVIAGTPGVBBO-UHFFFAOYSA-N -1 0 307.353 -0.219 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]2C(=O)[O-])cn1 ZINC001598270089 1017252050 /nfs/dbraw/zinc/25/20/50/1017252050.db2.gz IAAJGHFZIVNNPK-SECBINFHSA-N -1 0 313.335 -0.369 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H](CF)C(=O)[O-])o1 ZINC001598270251 1017252114 /nfs/dbraw/zinc/25/21/14/1017252114.db2.gz QWGWTAOMDNBRKD-ZCFIWIBFSA-N -1 0 308.287 -0.318 20 0 DBADRM CN(C)S(=O)(=O)N1CC(NC(=O)CC(C)(C)CC(=O)[O-])C1 ZINC001598264875 1017252339 /nfs/dbraw/zinc/25/23/39/1017252339.db2.gz BCDJCMXECLJGKS-UHFFFAOYSA-N -1 0 321.399 -0.516 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]2C(=O)[O-])n(C)c1 ZINC001598269676 1017252669 /nfs/dbraw/zinc/25/26/69/1017252669.db2.gz FOPHALZXNDDOEO-SECBINFHSA-N -1 0 315.351 -0.426 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)OCc1occc1C(=O)[O-] ZINC001598265464 1017253111 /nfs/dbraw/zinc/25/31/11/1017253111.db2.gz UVZWOKMFEZQYJA-UHFFFAOYSA-N -1 0 320.323 -0.241 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)NCC(C)(C)C(=O)[O-] ZINC001598283139 1017254313 /nfs/dbraw/zinc/25/43/13/1017254313.db2.gz FPTLNSHBFVRMEE-QGZVFWFLSA-N -1 0 301.390 -0.494 20 0 DBADRM CN(C)c1ccc(NC(=O)C(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1 ZINC001598323273 1017254347 /nfs/dbraw/zinc/25/43/47/1017254347.db2.gz WFMWQFLDXFKXIZ-HNNXBMFYSA-N -1 0 321.333 -0.261 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CC12CCC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431874075 1007744310 /nfs/dbraw/zinc/74/43/10/1007744310.db2.gz LIHAQTMDAHAAFD-JGVFFNPUSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CC12CCC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431874079 1007745524 /nfs/dbraw/zinc/74/55/24/1007745524.db2.gz LIHAQTMDAHAAFD-YUMQZZPRSA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1C(=O)c1ccco1 ZINC001432088726 1007808995 /nfs/dbraw/zinc/80/89/95/1007808995.db2.gz VYDDEVRFOUDRGZ-MRVPVSSYSA-N -1 0 321.293 -0.687 20 0 DBADRM CC1(C(=O)NCC2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)CCC1 ZINC001432276565 1007878126 /nfs/dbraw/zinc/87/81/26/1007878126.db2.gz WXNKZRXVQVOISR-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM CC1(CC(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001432291908 1007883327 /nfs/dbraw/zinc/88/33/27/1007883327.db2.gz CUYSNPRDUOAAAS-UHFFFAOYSA-N -1 0 309.326 -0.794 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1nccnc1N)C(=O)[O-] ZINC001594904468 1017070744 /nfs/dbraw/zinc/07/07/44/1017070744.db2.gz ZZRWNQSISJGGIR-VXNVDRBHSA-N -1 0 310.310 -0.169 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC001594909426 1017070787 /nfs/dbraw/zinc/07/07/87/1017070787.db2.gz UIPQCQRVYOVMLP-GZMMTYOYSA-N -1 0 307.310 -0.494 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN[C@]1(C(=O)OC)CCOC1)C(=O)[O-] ZINC001594896430 1017070797 /nfs/dbraw/zinc/07/07/97/1017070797.db2.gz IRSXHRUKKVVJSR-DRCTWCGVSA-N -1 0 316.354 -0.476 20 0 DBADRM CC[C@@H](C)[C@H](O)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001594919814 1017071727 /nfs/dbraw/zinc/07/17/27/1017071727.db2.gz DQUHWOXDGNZOLI-NXEZZACHSA-N -1 0 303.359 -0.326 20 0 DBADRM CC[C@H](C)C[C@@H](NC(=O)C1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001594939934 1017071973 /nfs/dbraw/zinc/07/19/73/1017071973.db2.gz VYXMBGIGSTYPJE-WCBMZHEXSA-N -1 0 306.384 -0.117 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CN1CCS(=O)(=O)CC1 ZINC001594974421 1017072289 /nfs/dbraw/zinc/07/22/89/1017072289.db2.gz HOWAGYHJGRKGQG-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCCn1ccnc1 ZINC001594959822 1017072519 /nfs/dbraw/zinc/07/25/19/1017072519.db2.gz HAWAYZBLDAYNNR-JTQLQIEISA-N -1 0 315.351 -0.627 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC001594974676 1017072581 /nfs/dbraw/zinc/07/25/81/1017072581.db2.gz KXCKUOPJYHNCPV-MNOVXSKESA-N -1 0 320.411 -0.183 20 0 DBADRM CC[C@H](C)C[C@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)C(=O)[O-] ZINC001594950234 1017072692 /nfs/dbraw/zinc/07/26/92/1017072692.db2.gz VXKAUZVUTURSTO-WCQGTBRESA-N -1 0 313.354 -0.145 20 0 DBADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001595053906 1017073698 /nfs/dbraw/zinc/07/36/98/1017073698.db2.gz KZNYTTJHOBGWIL-LLVKDONJSA-N -1 0 313.354 0.000 20 0 DBADRM CCC(CC)[C@H](C(=O)N[C@H](CO)C(=O)[O-])N1CCOCC1 ZINC001595105126 1017074006 /nfs/dbraw/zinc/07/40/06/1017074006.db2.gz AGTWNMJJPLLLGJ-VXGBXAGGSA-N -1 0 302.371 -0.315 20 0 DBADRM CC[C@@H](C)CC(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001432406665 1007923798 /nfs/dbraw/zinc/92/37/98/1007923798.db2.gz GTVGPONJJVYNMZ-MRVPVSSYSA-N -1 0 323.353 -0.093 20 0 DBADRM CC[C@H](C[C@H](C)O)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001595035246 1017075116 /nfs/dbraw/zinc/07/51/16/1017075116.db2.gz AYAKCJRFXZIKHS-AXFHLTTASA-N -1 0 300.355 -0.025 20 0 DBADRM CC[C@@H](CNC(=O)C1(S(C)(=O)=O)CCOCC1)C(=O)[O-] ZINC001595138236 1017076599 /nfs/dbraw/zinc/07/65/99/1017076599.db2.gz DRCYDNWSLJBRNG-VIFPVBQESA-N -1 0 307.368 -0.193 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)[C@@H](C)CC(N)=O)C2)c1[O-] ZINC001432436491 1007935793 /nfs/dbraw/zinc/93/57/93/1007935793.db2.gz GOEDGVPETQOPAM-ZETCQYMHSA-N -1 0 323.353 -0.782 20 0 DBADRM CC[C@@](COC)(NC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)[O-] ZINC001595188875 1017078146 /nfs/dbraw/zinc/07/81/46/1017078146.db2.gz VKVCSEMGKISOSJ-CABZTGNLSA-N -1 0 305.352 -0.069 20 0 DBADRM CC[C@](COC)(NC(=O)[C@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001595187471 1017078547 /nfs/dbraw/zinc/07/85/47/1017078547.db2.gz MUBNVFAJJOPCAL-ISVAXAHUSA-N -1 0 312.326 -0.458 20 0 DBADRM CC[C@@](COC)(NC(=O)C[C@H]1CCCS1(=O)=O)C(=O)[O-] ZINC001595188487 1017078591 /nfs/dbraw/zinc/07/85/91/1017078591.db2.gz PLXGUQKRPMTOAV-SKDRFNHKSA-N -1 0 307.368 -0.050 20 0 DBADRM CC[C@](COC)(NC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)[O-] ZINC001595188874 1017078777 /nfs/dbraw/zinc/07/87/77/1017078777.db2.gz VKVCSEMGKISOSJ-BXKDBHETSA-N -1 0 305.352 -0.069 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)OC ZINC001595189402 1017079092 /nfs/dbraw/zinc/07/90/92/1017079092.db2.gz LJTHFXPTYJTGBP-RWEMILLDSA-N -1 0 303.311 -0.297 20 0 DBADRM CC[C@@H](CO)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001595174694 1017079396 /nfs/dbraw/zinc/07/93/96/1017079396.db2.gz UHZDIBUVJNRHFG-CABZTGNLSA-N -1 0 322.317 -0.248 20 0 DBADRM CC[C@H](COC(=O)CN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001595180583 1017079478 /nfs/dbraw/zinc/07/94/78/1017079478.db2.gz OHHPNZQPOIWOEA-SNVBAGLBSA-N -1 0 322.383 -0.782 20 0 DBADRM CC[C@@H](COC(=O)C1CCN(S(=O)(=O)NC)CC1)C(=O)[O-] ZINC001595180224 1017079590 /nfs/dbraw/zinc/07/95/90/1017079590.db2.gz KVHXXCAVCMAAJC-VIFPVBQESA-N -1 0 322.383 -0.183 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)c2ccccc2)c1[O-] ZINC001444057256 1008003451 /nfs/dbraw/zinc/00/34/51/1008003451.db2.gz UDPYERYTGZETCS-LLVKDONJSA-N -1 0 318.333 -0.056 20 0 DBADRM CCCCC(=O)NC[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001432942508 1008043546 /nfs/dbraw/zinc/04/35/46/1008043546.db2.gz QXDQECVZGCYFBX-MRVPVSSYSA-N -1 0 311.342 -0.045 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)c2cn[nH]c2)c1[O-] ZINC001432948338 1008045792 /nfs/dbraw/zinc/04/57/92/1008045792.db2.gz SIBVNKDSOZFZKP-SSDOTTSWSA-N -1 0 306.326 -0.057 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)[C@@H](C)C1CC1 ZINC001432949877 1008045924 /nfs/dbraw/zinc/04/59/24/1008045924.db2.gz QOFRIBHAOBKDBG-SFYZADRCSA-N -1 0 323.353 -0.189 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433059666 1008061437 /nfs/dbraw/zinc/06/14/37/1008061437.db2.gz FTTAVZKBXJAJLF-RXMQYKEDSA-N -1 0 319.268 -0.582 20 0 DBADRM CCC(=O)NC[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C(C)C ZINC001433061373 1008061884 /nfs/dbraw/zinc/06/18/84/1008061884.db2.gz FNDXTOUUDJAIAS-SNVBAGLBSA-N -1 0 310.354 -0.234 20 0 DBADRM CCC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433210565 1008092523 /nfs/dbraw/zinc/09/25/23/1008092523.db2.gz GTOMDFSNPRSOSK-HTQZYQBOSA-N -1 0 309.326 -0.293 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001444259765 1008103082 /nfs/dbraw/zinc/10/30/82/1008103082.db2.gz ABELQLVSVVKAGI-JGVFFNPUSA-N -1 0 302.306 -0.621 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)C2(C3CC3)CC2)c1[O-] ZINC001433266456 1008127757 /nfs/dbraw/zinc/12/77/57/1008127757.db2.gz FAKXUUOJALNYDJ-JTQLQIEISA-N -1 0 322.365 -0.179 20 0 DBADRM CS[C@H](C)C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001433299296 1008142425 /nfs/dbraw/zinc/14/24/25/1008142425.db2.gz DXKGQKRUFLAHBI-HTQZYQBOSA-N -1 0 316.383 -0.618 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001444368135 1008145642 /nfs/dbraw/zinc/14/56/42/1008145642.db2.gz URUNYXZAMGZDTB-DTWKUNHWSA-N -1 0 323.353 -0.269 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN(C)C(=O)c2ccc[nH]2)c1[O-] ZINC001444594590 1008189473 /nfs/dbraw/zinc/18/94/73/1008189473.db2.gz JMOZMPPMXPDWNA-VIFPVBQESA-N -1 0 321.337 -0.385 20 0 DBADRM CCOCC(=O)NC[C@@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001444647670 1008206566 /nfs/dbraw/zinc/20/65/66/1008206566.db2.gz SAIPDFZEKGJFMY-SECBINFHSA-N -1 0 314.342 -0.991 20 0 DBADRM C[C@H](CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1)[S@](C)=O ZINC001445543637 1008394261 /nfs/dbraw/zinc/39/42/61/1008394261.db2.gz MATZQXUMSVLMQR-CLTRCRFRSA-N -1 0 322.394 -0.038 20 0 DBADRM Cc1cc(CC(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001445688494 1008421753 /nfs/dbraw/zinc/42/17/53/1008421753.db2.gz OSRAAKBFZKSNJD-QMMMGPOBSA-N -1 0 308.342 -0.014 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C1(F)CCOCC1 ZINC001445729316 1008426868 /nfs/dbraw/zinc/42/68/68/1008426868.db2.gz IRTWQPHJQUSPKH-VIFPVBQESA-N -1 0 315.349 -0.035 20 0 DBADRM COc1c(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001445850353 1008440010 /nfs/dbraw/zinc/44/00/10/1008440010.db2.gz FUUINWIQMFROQQ-MRVPVSSYSA-N -1 0 323.357 -0.497 20 0 DBADRM CC[C@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001445931084 1008449090 /nfs/dbraw/zinc/44/90/90/1008449090.db2.gz AZJRALFTVJVICC-XHNCKOQMSA-N -1 0 323.353 -0.047 20 0 DBADRM CC(=O)N[C@H]1C[C@@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001445945004 1008450734 /nfs/dbraw/zinc/45/07/34/1008450734.db2.gz TZYXUKCNCNGGCG-AOOOYVTPSA-N -1 0 318.337 -0.898 20 0 DBADRM Cc1ncoc1CN1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001446117901 1008475818 /nfs/dbraw/zinc/47/58/18/1008475818.db2.gz LJTHRJBPHYJKCO-VIFPVBQESA-N -1 0 322.325 -0.624 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)C1CCC(O)CC1 ZINC001446160571 1008483460 /nfs/dbraw/zinc/48/34/60/1008483460.db2.gz JYJFJTJIKQAPHI-UHFFFAOYSA-N -1 0 309.370 -0.200 20 0 DBADRM CC(C)C(=O)NCCCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001446172820 1008486187 /nfs/dbraw/zinc/48/61/87/1008486187.db2.gz DUTQXCYNZATORQ-UHFFFAOYSA-N -1 0 301.372 -0.119 20 0 DBADRM O=C(CN1CCCCC1=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001446196947 1008487896 /nfs/dbraw/zinc/48/78/96/1008487896.db2.gz ACAMKGRZVIVJBS-UHFFFAOYSA-N -1 0 322.369 -0.739 20 0 DBADRM Cc1cnc(CNC2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)o1 ZINC001446266350 1008496783 /nfs/dbraw/zinc/49/67/83/1008496783.db2.gz JSBYOHBHCBVLPJ-UHFFFAOYSA-N -1 0 322.325 -0.576 20 0 DBADRM CN(C(=O)c1c[n-]n2c1nccc2=O)C1(C(N)=O)CCCC1 ZINC001446318861 1008500420 /nfs/dbraw/zinc/50/04/20/1008500420.db2.gz DYGQSCVWYKLWHH-UHFFFAOYSA-N -1 0 303.322 -0.107 20 0 DBADRM C[C@@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)S(C)(=O)=O ZINC001446349278 1008503670 /nfs/dbraw/zinc/50/36/70/1008503670.db2.gz MGYWOBFJPLBDMJ-ZETCQYMHSA-N -1 0 306.344 -0.981 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC001446516604 1008524810 /nfs/dbraw/zinc/52/48/10/1008524810.db2.gz KCQRYRJDMVMQEO-QMMMGPOBSA-N -1 0 324.318 -0.666 20 0 DBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)[N-]N3CN=NC3=O)c2C1 ZINC001457714712 1008583046 /nfs/dbraw/zinc/58/30/46/1008583046.db2.gz ARMLTTSIUCPLAA-VIFPVBQESA-N -1 0 319.325 -0.737 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOC[C@H]1[C@H]1CCCCC1=O ZINC001446586154 1008590846 /nfs/dbraw/zinc/59/08/46/1008590846.db2.gz TZZGOMBBMRUXGL-ZJUUUORDSA-N -1 0 324.337 -0.324 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nnn(C)n2)o1 ZINC001457755978 1008607262 /nfs/dbraw/zinc/60/72/62/1008607262.db2.gz UGBHVCDFVODKSJ-UHFFFAOYSA-N -1 0 300.300 -0.694 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCC[C@@H]1NC(=O)C1CC1 ZINC001457859283 1008657993 /nfs/dbraw/zinc/65/79/93/1008657993.db2.gz SCVGRQRSEKYPIW-ZJUUUORDSA-N -1 0 323.353 -0.500 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001457861071 1008662330 /nfs/dbraw/zinc/66/23/30/1008662330.db2.gz IMWBOGGMUPIGQP-MRVPVSSYSA-N -1 0 303.340 -0.052 20 0 DBADRM C[C@@H]1CN(C2CC2)CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001457874549 1008672197 /nfs/dbraw/zinc/67/21/97/1008672197.db2.gz JENDCBPFEICHEQ-SNVBAGLBSA-N -1 0 316.365 -0.234 20 0 DBADRM CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)c1n[nH]c(=O)[n-]1)C2 ZINC001458029636 1008810950 /nfs/dbraw/zinc/81/09/50/1008810950.db2.gz SGFIVJFGYKFONF-ZETCQYMHSA-N -1 0 320.309 -0.072 20 0 DBADRM Cc1nscc1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001446829584 1008814072 /nfs/dbraw/zinc/81/40/72/1008814072.db2.gz WRLJCNBPWWWSHF-UHFFFAOYSA-N -1 0 324.366 -0.748 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)Cc2ccn(C)n2)c1[O-] ZINC001458377540 1008833593 /nfs/dbraw/zinc/83/35/93/1008833593.db2.gz WAVSAHRIZNLAAP-QMMMGPOBSA-N -1 0 320.353 -0.366 20 0 DBADRM CC[C@H](C)CCC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001446881109 1008833996 /nfs/dbraw/zinc/83/39/96/1008833996.db2.gz FNCGDBHDDYXLOP-JTQLQIEISA-N -1 0 311.386 -0.001 20 0 DBADRM O=C(NCC1(NC(=O)C2CC2)CC1)c1c[n-]n2c1nccc2=O ZINC001458942518 1008904003 /nfs/dbraw/zinc/90/40/03/1008904003.db2.gz UNZAKKRAGZHTAK-UHFFFAOYSA-N -1 0 315.333 -0.189 20 0 DBADRM Cn1cc(CCC(=O)NCC2(NC(=O)c3cn[nH]n3)CC2)cn1 ZINC001458965766 1008907069 /nfs/dbraw/zinc/90/70/69/1008907069.db2.gz DINLPDMKVPCILH-UHFFFAOYSA-N -1 0 317.353 -0.450 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(NC(=O)[C@H]2CC23CC3)CC1 ZINC001459042319 1008927178 /nfs/dbraw/zinc/92/71/78/1008927178.db2.gz HXORYQXKVDUHDV-MRVPVSSYSA-N -1 0 321.337 -0.746 20 0 DBADRM CCC1(C(=O)NCC2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)CC1 ZINC001459094411 1008947118 /nfs/dbraw/zinc/94/71/18/1008947118.db2.gz UIUNINKJNWAPIP-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001447382283 1009056496 /nfs/dbraw/zinc/05/64/96/1009056496.db2.gz RXPFDEGUKRNTFC-JTQLQIEISA-N -1 0 307.358 -0.415 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NN1C(=O)c2ccccc2C1=O ZINC001447384670 1009060926 /nfs/dbraw/zinc/06/09/26/1009060926.db2.gz GNMIQZMKTCWHAG-UHFFFAOYSA-N -1 0 319.302 -0.070 20 0 DBADRM CCN1C[C@H](S(=O)(=O)[N-][C@](C)(COC)C(=O)OC)CC1=O ZINC001463323191 1009206693 /nfs/dbraw/zinc/20/66/93/1009206693.db2.gz DIURSZVTRRYULW-BXKDBHETSA-N -1 0 322.383 -0.895 20 0 DBADRM CC(CO)(CO)NC(=O)c1nc[n-]c(=O)c1Br ZINC001447606920 1009193644 /nfs/dbraw/zinc/19/36/44/1009193644.db2.gz JWBOYDPKUILSPT-UHFFFAOYSA-N -1 0 306.116 -0.582 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC001463162256 1009195204 /nfs/dbraw/zinc/19/52/04/1009195204.db2.gz OERSVDJYEGTKBT-UHFFFAOYSA-N -1 0 320.305 -0.854 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC001463163241 1009195729 /nfs/dbraw/zinc/19/57/29/1009195729.db2.gz XPYFBGZVWYKWST-UHFFFAOYSA-N -1 0 302.290 -0.360 20 0 DBADRM CC(C)COC[C@@H](O)C[N-]S(=O)(=O)N=S(C)(C)=O ZINC001463161012 1009198363 /nfs/dbraw/zinc/19/83/63/1009198363.db2.gz LMSOMSSYIBVWCP-VIFPVBQESA-N -1 0 302.418 -0.418 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ncc(Cl)cn1 ZINC001447646922 1009208969 /nfs/dbraw/zinc/20/89/69/1009208969.db2.gz RRWVDYRPEQHRSR-UHFFFAOYSA-N -1 0 306.731 -0.674 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001447642810 1009210096 /nfs/dbraw/zinc/21/00/96/1009210096.db2.gz DCPGRSDZYDLJBW-NXEZZACHSA-N -1 0 322.383 -0.990 20 0 DBADRM CCc1c[nH]c(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC001447642804 1009210476 /nfs/dbraw/zinc/21/04/76/1009210476.db2.gz CVQZQHNXBIXHCR-UHFFFAOYSA-N -1 0 302.356 -0.903 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ncc2n1CCCC2 ZINC001447643517 1009211892 /nfs/dbraw/zinc/21/18/92/1009211892.db2.gz GJJNVLDNGBLSDH-UHFFFAOYSA-N -1 0 314.367 -0.585 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001463410070 1009213916 /nfs/dbraw/zinc/21/39/16/1009213916.db2.gz SQAUVGFPGBNLPQ-WOPDTQHZSA-N -1 0 321.395 -0.213 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC001463412111 1009217908 /nfs/dbraw/zinc/21/79/08/1009217908.db2.gz ZYLZSWHAUNUJCU-MDTSDYNXSA-N -1 0 316.401 -0.749 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H](C)C(=O)NCCF ZINC001463591222 1009227379 /nfs/dbraw/zinc/22/73/79/1009227379.db2.gz RKEYCLHNYOOWEJ-ZETCQYMHSA-N -1 0 322.314 -0.181 20 0 DBADRM CC(=O)NCCNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001463639440 1009233447 /nfs/dbraw/zinc/23/34/47/1009233447.db2.gz DSZBMQCDFAFIFG-UHFFFAOYSA-N -1 0 318.337 -0.562 20 0 DBADRM CO[C@H]([C@@H](C)NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C1CC1 ZINC001463707804 1009237496 /nfs/dbraw/zinc/23/74/96/1009237496.db2.gz FIXYSLOPPFGDLY-GMSGAONNSA-N -1 0 317.367 -0.422 20 0 DBADRM COC(=O)CCCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001463773138 1009245993 /nfs/dbraw/zinc/24/59/93/1009245993.db2.gz XUCUOBZLFHCGDN-UHFFFAOYSA-N -1 0 320.305 -0.051 20 0 DBADRM CCOC(=O)c1cn(CCNS(=O)(=O)c2ncc[n-]2)cn1 ZINC001463810428 1009248552 /nfs/dbraw/zinc/24/85/52/1009248552.db2.gz WJYKGZOSCKZTFT-UHFFFAOYSA-N -1 0 313.339 -0.239 20 0 DBADRM COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)Cc1cc(OC)ns1 ZINC001463854985 1009255906 /nfs/dbraw/zinc/25/59/06/1009255906.db2.gz JYIITLWIVYCVJD-SNVBAGLBSA-N -1 0 324.380 -0.505 20 0 DBADRM CN(C)c1noc(CCC(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])n1 ZINC001598365645 1017257399 /nfs/dbraw/zinc/25/73/99/1017257399.db2.gz WUKATCGKNBGPJO-KWQFWETISA-N -1 0 312.326 -0.495 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)NCC1(C(=O)[O-])CC1 ZINC001598365543 1017258125 /nfs/dbraw/zinc/25/81/25/1017258125.db2.gz SYWXDNAWCHWDOV-UHFFFAOYSA-N -1 0 307.310 -0.538 20 0 DBADRM CN(C)c1ccnc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC001598346738 1017258372 /nfs/dbraw/zinc/25/83/72/1017258372.db2.gz ZIKMSTBCVGRCOG-NSHDSACASA-N -1 0 306.322 -0.437 20 0 DBADRM CN(C)c1ncc(CN2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)n1C ZINC001598353769 1017258431 /nfs/dbraw/zinc/25/84/31/1017258431.db2.gz KVDFEFXZTIGWJM-BBBLOLIVSA-N -1 0 321.337 -0.373 20 0 DBADRM NS(=O)(=O)CCNC(=O)c1ncc(Br)cc1[O-] ZINC001464233634 1009302483 /nfs/dbraw/zinc/30/24/83/1009302483.db2.gz HWBBSGBGIMIZFG-UHFFFAOYSA-N -1 0 324.156 -0.432 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CN2CCCC2)s1 ZINC001464396644 1009310426 /nfs/dbraw/zinc/31/04/26/1009310426.db2.gz BRDHUCNPSNHXRK-UHFFFAOYSA-N -1 0 305.385 -0.056 20 0 DBADRM CN(C1CC1)S(=O)(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598371102 1017260718 /nfs/dbraw/zinc/26/07/18/1017260718.db2.gz SOBKDDFVXVPISM-NSHDSACASA-N -1 0 303.340 -0.369 20 0 DBADRM CN([C@@H]1CCNC1=O)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598374431 1017260819 /nfs/dbraw/zinc/26/08/19/1017260819.db2.gz CHXZZDMTBIBYIX-AEJSXWLSSA-N -1 0 304.368 -0.220 20 0 DBADRM CN1C(=O)N=NC1C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001464411023 1009310716 /nfs/dbraw/zinc/31/07/16/1009310716.db2.gz OSYGFNBPZILBRQ-UHFFFAOYSA-N -1 0 309.373 -0.883 20 0 DBADRM Cn1ncnc1C1(O)CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001464411129 1009311293 /nfs/dbraw/zinc/31/12/93/1009311293.db2.gz MZKJGYCEMKUAHW-UHFFFAOYSA-N -1 0 312.355 -0.790 20 0 DBADRM CN([C@@]1(CO)CCOC1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001598366262 1017261093 /nfs/dbraw/zinc/26/10/93/1017261093.db2.gz LMCRAXZXFKCQNW-GFCCVEGCSA-N -1 0 318.351 -0.505 20 0 DBADRM CN([C@@H]1CCNC1=O)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001598374473 1017261102 /nfs/dbraw/zinc/26/11/02/1017261102.db2.gz FKZPERCGZUNFSS-MRVPVSSYSA-N -1 0 301.324 -0.768 20 0 DBADRM NC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001464487654 1009314643 /nfs/dbraw/zinc/31/46/43/1009314643.db2.gz QNFNPKPVGKEDSE-SECBINFHSA-N -1 0 321.362 -0.185 20 0 DBADRM CN(CC(=O)N1CCOCC1)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001598380357 1017261837 /nfs/dbraw/zinc/26/18/37/1017261837.db2.gz FRIDXUMHYGEKJK-UHFFFAOYSA-N -1 0 322.383 -0.782 20 0 DBADRM Cn1c2ccc(NC(=O)c3n[nH]c(=O)[n-]c3=O)cc2n(C)c1=O ZINC001464513471 1009319884 /nfs/dbraw/zinc/31/98/84/1009319884.db2.gz RLZOGRJEVIUPLE-UHFFFAOYSA-N -1 0 316.277 -0.275 20 0 DBADRM CNC(=O)C1(NS(=O)(=O)c2ccccc2[O-])CCOCC1 ZINC001464540560 1009320638 /nfs/dbraw/zinc/32/06/38/1009320638.db2.gz HSJKWCUIZHMVCV-UHFFFAOYSA-N -1 0 314.363 -0.034 20 0 DBADRM CN(CC(=O)N[C@@H](CCF)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001598387994 1017263208 /nfs/dbraw/zinc/26/32/08/1017263208.db2.gz ZMGXBQNBVFIVAN-BDAKNGLRSA-N -1 0 310.347 -0.966 20 0 DBADRM CN(CC(=O)N[C@H](CCF)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001598387997 1017263918 /nfs/dbraw/zinc/26/39/18/1017263918.db2.gz ZMGXBQNBVFIVAN-RKDXNWHRSA-N -1 0 310.347 -0.966 20 0 DBADRM CN(CC(=O)Nc1cc(C(=O)[O-])c[nH]c1=O)S(C)(=O)=O ZINC001598397146 1017263936 /nfs/dbraw/zinc/26/39/36/1017263936.db2.gz PWNDYKJGACQKFQ-UHFFFAOYSA-N -1 0 303.296 -0.685 20 0 DBADRM COc1ccnc(N2CCN(C(=O)CCc3nnn[n-]3)CC2)n1 ZINC001464635303 1009329534 /nfs/dbraw/zinc/32/95/34/1009329534.db2.gz DPGHRPDRWWQZLA-UHFFFAOYSA-N -1 0 318.341 -0.720 20 0 DBADRM CN(CC(=O)[O-])C(=O)CC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001598405394 1017265334 /nfs/dbraw/zinc/26/53/34/1017265334.db2.gz USVPDGFXZZMKQJ-SECBINFHSA-N -1 0 311.342 -0.377 20 0 DBADRM CC[C@@](C)(NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)OC ZINC001464740055 1009337297 /nfs/dbraw/zinc/33/72/97/1009337297.db2.gz RIARCHQSFUJSCF-GFCCVEGCSA-N -1 0 300.315 -0.073 20 0 DBADRM CN(CC(=O)O[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)S(C)(=O)=O ZINC001598418144 1017265974 /nfs/dbraw/zinc/26/59/74/1017265974.db2.gz QNDIKSVELCQBNO-KYXWUPHJSA-N -1 0 305.352 -0.080 20 0 DBADRM CO[C@H](C)CS(=O)(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001464738284 1009339035 /nfs/dbraw/zinc/33/90/35/1009339035.db2.gz AFIPDHFEQKZMSM-NXEZZACHSA-N -1 0 316.383 -0.285 20 0 DBADRM CN(C[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)c1cnco1 ZINC001598434916 1017266439 /nfs/dbraw/zinc/26/64/39/1017266439.db2.gz BBQYZDYNMMVFGK-QMMMGPOBSA-N -1 0 321.293 -0.870 20 0 DBADRM CN(C[C@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)c1cnco1 ZINC001598434912 1017266813 /nfs/dbraw/zinc/26/68/13/1017266813.db2.gz BBQYZDYNMMVFGK-MRVPVSSYSA-N -1 0 321.293 -0.870 20 0 DBADRM CN(CC(N)=O)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598430632 1017266852 /nfs/dbraw/zinc/26/68/52/1017266852.db2.gz VXURFVGSSPDMSV-CHWSQXEVSA-N -1 0 319.361 -0.059 20 0 DBADRM O=C(c1cccc2ncnn21)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001464878726 1009347441 /nfs/dbraw/zinc/34/74/41/1009347441.db2.gz DIVIAROGAZQFCU-SECBINFHSA-N -1 0 300.282 -0.544 20 0 DBADRM CN(CC(C)(CO)CO)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001598425993 1017267632 /nfs/dbraw/zinc/26/76/32/1017267632.db2.gz PNNTVBUEHLWRCH-UHFFFAOYSA-N -1 0 300.315 -0.427 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001464880029 1009348234 /nfs/dbraw/zinc/34/82/34/1009348234.db2.gz FWKHDGJOVAZLJW-HBNTYKKESA-N -1 0 311.342 -0.459 20 0 DBADRM COc1cccnc1CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001464878017 1009348576 /nfs/dbraw/zinc/34/85/76/1009348576.db2.gz AAATUUONEXINSJ-LLVKDONJSA-N -1 0 304.310 -0.254 20 0 DBADRM CN(CC(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O)C(=O)C1CC1 ZINC001598417709 1017267793 /nfs/dbraw/zinc/26/77/93/1017267793.db2.gz KLEDSYPWORKQOL-SNVBAGLBSA-N -1 0 312.322 -0.526 20 0 DBADRM CN(C[C@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)[C@@H]1CCCO1 ZINC001598435235 1017268207 /nfs/dbraw/zinc/26/82/07/1017268207.db2.gz DJAOLKIFCLDBJC-ZJUUUORDSA-N -1 0 324.337 -0.993 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1n[nH]cc1Br ZINC001464965067 1009359726 /nfs/dbraw/zinc/35/97/26/1009359726.db2.gz WOXFPRPMLGPCTF-UHFFFAOYSA-N -1 0 317.103 -0.509 20 0 DBADRM CCn1nncc1C(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001447870675 1009361958 /nfs/dbraw/zinc/36/19/58/1009361958.db2.gz UXIWMPNIWKYLDH-SSDOTTSWSA-N -1 0 321.341 -0.417 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)C[C@@H]2COC(=O)C2)c1[O-] ZINC001447871948 1009361982 /nfs/dbraw/zinc/36/19/82/1009361982.db2.gz MGMCOSLOQWAVTE-CBAPKCEASA-N -1 0 324.337 -0.389 20 0 DBADRM CS(=O)(=O)C1(C(=O)[N-]OC[C@@H]2CCOC2)CCOCC1 ZINC001447894892 1009380900 /nfs/dbraw/zinc/38/09/00/1009380900.db2.gz PDGRVJLGYNPSSX-SNVBAGLBSA-N -1 0 307.368 -0.336 20 0 DBADRM CCC[C@@H](NC(=O)c1cn(C[C@@H](O)CC)nn1)c1nnn[n-]1 ZINC001465685478 1009382618 /nfs/dbraw/zinc/38/26/18/1009382618.db2.gz RXAVARKLCJNRKA-DTWKUNHWSA-N -1 0 308.346 -0.167 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001465725628 1009385387 /nfs/dbraw/zinc/38/53/87/1009385387.db2.gz WVGKTPUUCHMHPO-CRCLSJGQSA-N -1 0 307.232 -0.559 20 0 DBADRM COC(=O)[C@]1(NC(=O)CSc2n[nH]c(=O)[n-]2)CCOC1 ZINC001465765790 1009386164 /nfs/dbraw/zinc/38/61/64/1009386164.db2.gz ZLMHPBDIAYVWCR-JTQLQIEISA-N -1 0 302.312 -0.949 20 0 DBADRM CC1(C2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)OCCO1 ZINC001465778899 1009389268 /nfs/dbraw/zinc/38/92/68/1009389268.db2.gz PWINGNZZLXANAE-UHFFFAOYSA-N -1 0 310.310 -0.102 20 0 DBADRM COc1n[nH]c(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC001466101018 1009400539 /nfs/dbraw/zinc/40/05/39/1009400539.db2.gz BYRWQHXZZQJUSB-UHFFFAOYSA-N -1 0 312.311 -0.168 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCSC[C@@H]1CO ZINC001466168833 1009409345 /nfs/dbraw/zinc/40/93/45/1009409345.db2.gz AEAONTOKSIGXLE-QMMMGPOBSA-N -1 0 322.346 -0.014 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001466307737 1009416049 /nfs/dbraw/zinc/41/60/49/1009416049.db2.gz VSTXLMJKYRVLBD-RFZPGFLSSA-N -1 0 308.216 -0.706 20 0 DBADRM CCN1C(=O)C[C@H](C(=O)[N-]OCC(N)=O)[C@H]1c1cccnc1 ZINC001466481910 1009427483 /nfs/dbraw/zinc/42/74/83/1009427483.db2.gz KBNXYIDMJCFLSG-GXFFZTMASA-N -1 0 306.322 -0.476 20 0 DBADRM CN(CC(C)(CO)CO)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001466544545 1009428645 /nfs/dbraw/zinc/42/86/45/1009428645.db2.gz NZCUXOFNBJWSDD-UHFFFAOYSA-N -1 0 320.353 -0.862 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCc1cccc(C(=O)NC)c1 ZINC001466547011 1009428719 /nfs/dbraw/zinc/42/87/19/1009428719.db2.gz BEPDWDRSEIHNDN-UHFFFAOYSA-N -1 0 317.353 -0.161 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001466547272 1009429570 /nfs/dbraw/zinc/42/95/70/1009429570.db2.gz LDHOFWWJMDQZPK-JGVFFNPUSA-N -1 0 304.376 -0.600 20 0 DBADRM Cc1cc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001447995128 1009438646 /nfs/dbraw/zinc/43/86/46/1009438646.db2.gz LCXCKLPDOKIXDR-VIFPVBQESA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@H](CNC(=O)CC1OCCCO1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448000804 1009448019 /nfs/dbraw/zinc/44/80/19/1009448019.db2.gz GOIOCBILRKJJAK-SECBINFHSA-N -1 0 313.358 -0.400 20 0 DBADRM CCCC[C@@H](O)CCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001466838195 1009450541 /nfs/dbraw/zinc/45/05/41/1009450541.db2.gz UBFORHJWXGUZBE-SNVBAGLBSA-N -1 0 308.400 -0.100 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC001466838246 1009452297 /nfs/dbraw/zinc/45/22/97/1009452297.db2.gz VHQWJPLUNIKDAT-PHDIDXHHSA-N -1 0 302.274 -0.233 20 0 DBADRM CN(C)Cc1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)no1 ZINC001467455777 1009495161 /nfs/dbraw/zinc/49/51/61/1009495161.db2.gz AVIWWSOMGZSBAX-UHFFFAOYSA-N -1 0 321.341 -0.627 20 0 DBADRM Cn1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)ccc1=O ZINC001467456969 1009495469 /nfs/dbraw/zinc/49/54/69/1009495469.db2.gz ZYIGHZAYMWUXSC-UHFFFAOYSA-N -1 0 304.310 -0.978 20 0 DBADRM O=C(c1ncc2ccccn21)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001467455568 1009495536 /nfs/dbraw/zinc/49/55/36/1009495536.db2.gz HXNMPPFUVYKVAA-UHFFFAOYSA-N -1 0 313.321 -0.029 20 0 DBADRM O=C(c1cc2ncccn2n1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001467456945 1009496081 /nfs/dbraw/zinc/49/60/81/1009496081.db2.gz YURUPMRKKRTVNI-UHFFFAOYSA-N -1 0 314.309 -0.634 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC001467456889 1009496435 /nfs/dbraw/zinc/49/64/35/1009496435.db2.gz WVEFSNYYFVVBPO-CYBMUJFWSA-N -1 0 322.369 -0.732 20 0 DBADRM O=C(C1=C2CCCN=C2NN1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001467508972 1009501720 /nfs/dbraw/zinc/50/17/20/1009501720.db2.gz QEHQKSHERQLNSR-QMMMGPOBSA-N -1 0 317.353 -0.230 20 0 DBADRM O=C([C@@H]1CSCC(=O)N1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001467508584 1009502009 /nfs/dbraw/zinc/50/20/09/1009502009.db2.gz MHKDOUMLIJXTTN-YUMQZZPRSA-N -1 0 311.367 -0.552 20 0 DBADRM CC1(C)CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@@H]1O ZINC001467755318 1009515194 /nfs/dbraw/zinc/51/51/94/1009515194.db2.gz WFVFBZZUDJUUJU-NSHDSACASA-N -1 0 302.338 -0.082 20 0 DBADRM CC(C)OC(=O)CC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001467710018 1009517571 /nfs/dbraw/zinc/51/75/71/1009517571.db2.gz ILPVERCCCFMPRB-MRVPVSSYSA-N -1 0 300.315 -0.074 20 0 DBADRM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448089107 1009518933 /nfs/dbraw/zinc/51/89/33/1009518933.db2.gz PGKVUPFRYNIWNJ-OQPBUACISA-N -1 0 310.358 -0.885 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H](C)S1(=O)=O ZINC001467868451 1009527093 /nfs/dbraw/zinc/52/70/93/1009527093.db2.gz DGORZJFXWDRUNI-JGVFFNPUSA-N -1 0 318.355 -0.887 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCCS1(=O)=O ZINC001468074954 1009538621 /nfs/dbraw/zinc/53/86/21/1009538621.db2.gz BIJDQWDMDGCEEI-QMMMGPOBSA-N -1 0 318.355 -0.837 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001448137322 1009557065 /nfs/dbraw/zinc/55/70/65/1009557065.db2.gz ZZHHQRMDOJYUHG-CIUDSAMLSA-N -1 0 323.353 -0.508 20 0 DBADRM CN(CC1(C)COC1)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001598442102 1017269712 /nfs/dbraw/zinc/26/97/12/1017269712.db2.gz NCSGIYBQWBXDJT-UHFFFAOYSA-N -1 0 301.343 -0.355 20 0 DBADRM CN(C[C@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)c1ccc[nH]1 ZINC001598437211 1017269989 /nfs/dbraw/zinc/26/99/89/1017269989.db2.gz VYZWNZWJMKDZJP-SECBINFHSA-N -1 0 319.321 -0.530 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598436370 1017270360 /nfs/dbraw/zinc/27/03/60/1017270360.db2.gz MGSXGDBXONPLOZ-TUAOUCFPSA-N -1 0 315.370 -0.816 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](O)Cc1cccc(F)c1 ZINC001468472567 1009567003 /nfs/dbraw/zinc/56/70/03/1009567003.db2.gz KQCPYRXJKOIRNR-JTQLQIEISA-N -1 0 310.285 -0.452 20 0 DBADRM Cn1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)c(-c2ccncc2)n1 ZINC001468541603 1009570583 /nfs/dbraw/zinc/57/05/83/1009570583.db2.gz SMGRAFGIDBPAPN-UHFFFAOYSA-N -1 0 301.266 -0.131 20 0 DBADRM C[C@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1CSCCSC1 ZINC001468542129 1009570804 /nfs/dbraw/zinc/57/08/04/1009570804.db2.gz QSQSXSBVSKXQPH-ZCFIWIBFSA-N -1 0 305.385 -0.155 20 0 DBADRM Cc1ccoc1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001448154620 1009571404 /nfs/dbraw/zinc/57/14/04/1009571404.db2.gz MQTNZPMMMZZLDS-UHFFFAOYSA-N -1 0 321.337 -0.221 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc2nonc2c1 ZINC001598471245 1017271665 /nfs/dbraw/zinc/27/16/65/1017271665.db2.gz RZRKIPIBEAAOLQ-UHFFFAOYSA-N -1 0 314.323 -0.036 20 0 DBADRM CN(C[C@H](O)Cc1ccccc1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001468546256 1009573168 /nfs/dbraw/zinc/57/31/68/1009573168.db2.gz QHCVMYUIVQELDX-LLVKDONJSA-N -1 0 306.322 -0.249 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCOC[C@H]1[C@H]1CCCO1 ZINC001598470534 1017271993 /nfs/dbraw/zinc/27/19/93/1017271993.db2.gz NKSMFQCPMDBWDW-WDEREUQCSA-N -1 0 322.383 -0.483 20 0 DBADRM O=C(NC1CCN(C(=O)c2cn[nH]c2)CC1)c1c[n-]ncc1=O ZINC001468605574 1009574656 /nfs/dbraw/zinc/57/46/56/1009574656.db2.gz JASFGXIEWWESJA-UHFFFAOYSA-N -1 0 316.321 -0.060 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001598471142 1017272410 /nfs/dbraw/zinc/27/24/10/1017272410.db2.gz VSXLTKWAPQXYKM-BDAKNGLRSA-N -1 0 321.355 -0.932 20 0 DBADRM CN(C[C@@H]1COCCO1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001598468313 1017272460 /nfs/dbraw/zinc/27/24/60/1017272460.db2.gz WLOWAWFUPGCSPG-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[S@](=O)CC1(C)C ZINC001598471166 1017272754 /nfs/dbraw/zinc/27/27/54/1017272754.db2.gz WJOFTWDGKDTTMM-SFHVURJKSA-N -1 0 312.413 -0.519 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCC[NH+]1CCC(O)CC1 ZINC001598471149 1017273027 /nfs/dbraw/zinc/27/30/27/1017273027.db2.gz MYNBOCSVCONLCD-UHFFFAOYSA-N -1 0 323.415 -0.926 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001598468093 1017273078 /nfs/dbraw/zinc/27/30/78/1017273078.db2.gz SHTLEHHQZDWJDJ-SNVBAGLBSA-N -1 0 317.342 -0.976 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)[N-]OC/C=C\Cl ZINC001468690101 1009583009 /nfs/dbraw/zinc/58/30/09/1009583009.db2.gz DCZRBZYUKSEZHY-IHWYPQMZSA-N -1 0 321.742 -0.345 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])CC(=O)NCC1CCC1 ZINC001598489418 1017282480 /nfs/dbraw/zinc/28/24/80/1017282480.db2.gz PGPAFRBMUORNBF-VXGBXAGGSA-N -1 0 311.382 -0.329 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@@H](O)c1ccccn1 ZINC001598471611 1017274434 /nfs/dbraw/zinc/27/44/34/1017274434.db2.gz WKEICJIMHLQPFW-SNVBAGLBSA-N -1 0 303.340 -0.644 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1ccncn1 ZINC001598478566 1017274935 /nfs/dbraw/zinc/27/49/35/1017274935.db2.gz BHOFDZBIBQUYID-UWVGGRQHSA-N -1 0 306.322 -0.224 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1nnnn1C ZINC001598476905 1017275004 /nfs/dbraw/zinc/27/50/04/1017275004.db2.gz AMUPPRORSYNXOJ-ZJUUUORDSA-N -1 0 310.358 -0.789 20 0 DBADRM CN(CCCF)C(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598477337 1017275014 /nfs/dbraw/zinc/27/50/14/1017275014.db2.gz MAXMRKFKMPDBFL-CYBMUJFWSA-N -1 0 315.301 -0.364 20 0 DBADRM CN(CCN1CCCS1(=O)=O)Cc1oncc1C(=O)[O-] ZINC001598488179 1017282546 /nfs/dbraw/zinc/28/25/46/1017282546.db2.gz KNFAZHYQFDZRSL-UHFFFAOYSA-N -1 0 303.340 -0.160 20 0 DBADRM CN(CCCC(=O)NC[C@@H](O)CC(=O)[O-])C(=O)c1ccncc1 ZINC001598471799 1017275713 /nfs/dbraw/zinc/27/57/13/1017275713.db2.gz GOLODOKUNHJYIT-LBPRGKRZSA-N -1 0 323.349 -0.114 20 0 DBADRM CCN1CC(CCO)(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC001448178693 1009598628 /nfs/dbraw/zinc/59/86/28/1009598628.db2.gz NDFFCFITDZNESS-UHFFFAOYSA-N -1 0 324.425 -0.052 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1cncnc1 ZINC001598480729 1017276681 /nfs/dbraw/zinc/27/66/81/1017276681.db2.gz ZNVQXNLETJCMOU-WDEREUQCSA-N -1 0 306.322 -0.224 20 0 DBADRM CN(CCCNC(=O)c1cnccn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598481087 1017277277 /nfs/dbraw/zinc/27/72/77/1017277277.db2.gz FKJCOZMACJXVAG-ZJUUUORDSA-N -1 0 306.322 -0.224 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1C2CCC1(C(N)=O)CC2 ZINC001598481049 1017277845 /nfs/dbraw/zinc/27/78/45/1017277845.db2.gz ULDZOHWYGHVJIM-UHFFFAOYSA-N -1 0 305.356 -0.880 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N(CCO)C1CCOCC1 ZINC001598481044 1017277890 /nfs/dbraw/zinc/27/78/90/1017277890.db2.gz TXOUFWKUBRAHOJ-UHFFFAOYSA-N -1 0 310.372 -0.889 20 0 DBADRM CN(CCCNc1nccn2nnnc12)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598483106 1017278609 /nfs/dbraw/zinc/27/86/09/1017278609.db2.gz NHBKHSWJWJKNHI-IUCAKERBSA-N -1 0 319.325 -0.500 20 0 DBADRM CN(CCCO)C(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001598482456 1017279369 /nfs/dbraw/zinc/27/93/69/1017279369.db2.gz BOZYJKCPUGYYMG-UHFFFAOYSA-N -1 0 324.289 -0.107 20 0 DBADRM CN(CCCNC(=O)c1cn(C)nn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598481606 1017280029 /nfs/dbraw/zinc/28/00/29/1017280029.db2.gz VNQNVTHCUVZVRA-BDAKNGLRSA-N -1 0 309.326 -0.886 20 0 DBADRM CN(CCCNC(=O)c1ccncn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598481274 1017280158 /nfs/dbraw/zinc/28/01/58/1017280158.db2.gz LGHBIQYKUBMOCO-NXEZZACHSA-N -1 0 306.322 -0.224 20 0 DBADRM CN(CCCNc1nccn2nnnc12)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598483104 1017280518 /nfs/dbraw/zinc/28/05/18/1017280518.db2.gz NHBKHSWJWJKNHI-DTWKUNHWSA-N -1 0 319.325 -0.500 20 0 DBADRM CN(CCN1CCOCC1)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598489204 1017281553 /nfs/dbraw/zinc/28/15/53/1017281553.db2.gz ZLIDMRXRHLOAGZ-UHFFFAOYSA-N -1 0 306.384 -0.555 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H](CO)c1cccnc1 ZINC001469160462 1009632847 /nfs/dbraw/zinc/63/28/47/1009632847.db2.gz FPWBCBRGUPXMPI-LLVKDONJSA-N -1 0 314.305 -0.684 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CCn2cncc2C1 ZINC001469327609 1009647352 /nfs/dbraw/zinc/64/73/52/1009647352.db2.gz ZRIZOLUGRZFXCW-SECBINFHSA-N -1 0 313.321 -0.601 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@@H](c2nc(=O)o[n-]2)C(C)(C)C)C1=O ZINC001469342720 1009652442 /nfs/dbraw/zinc/65/24/42/1009652442.db2.gz OFCFHAUBUYSLFJ-YUMQZZPRSA-N -1 0 312.326 -0.577 20 0 DBADRM C[C@@H](NC(=O)CCn1cncn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001448273347 1009665908 /nfs/dbraw/zinc/66/59/08/1009665908.db2.gz LQCBBFVUDNZDJJ-SECBINFHSA-N -1 0 320.357 -0.871 20 0 DBADRM COCC1(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001448308214 1009703578 /nfs/dbraw/zinc/70/35/78/1009703578.db2.gz QUYSDFNNFCDLQU-VIFPVBQESA-N -1 0 309.370 -0.127 20 0 DBADRM COC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CCOCC1 ZINC001470063958 1009710758 /nfs/dbraw/zinc/71/07/58/1009710758.db2.gz LMLHPBVZFJREHC-VIFPVBQESA-N -1 0 300.315 -0.753 20 0 DBADRM O=C([C@H]1Cc2cccnc2C1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448354425 1009733267 /nfs/dbraw/zinc/73/32/67/1009733267.db2.gz XEKWXCCRULXOHN-NSHDSACASA-N -1 0 314.349 -0.180 20 0 DBADRM CSCC[C@H](NC(=O)[C@@H](NC(N)=O)C(C)C)c1nnn[n-]1 ZINC001470329320 1009737246 /nfs/dbraw/zinc/73/72/46/1009737246.db2.gz YRKGKNKGYQSXDH-YUMQZZPRSA-N -1 0 315.403 -0.197 20 0 DBADRM O=C(CSc1cccc[n+]1[O-])NCc1nc([O-])cc(=O)[nH]1 ZINC001470583062 1009765753 /nfs/dbraw/zinc/76/57/53/1009765753.db2.gz MXCRWLBSHLSKKX-UHFFFAOYSA-N -1 0 308.319 -0.070 20 0 DBADRM Cn1nc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)ccc1=O ZINC001448462768 1009785211 /nfs/dbraw/zinc/78/52/11/1009785211.db2.gz YIFJYOVMURTQPR-QMMMGPOBSA-N -1 0 304.310 -0.376 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC(CCO)(CCO)CC1 ZINC001471122280 1009807076 /nfs/dbraw/zinc/80/70/76/1009807076.db2.gz BKZIBNWWRKRSBM-UHFFFAOYSA-N -1 0 311.386 -0.104 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1CCC(c3nnn[n-]3)CC1)CC2 ZINC001471337517 1009817734 /nfs/dbraw/zinc/81/77/34/1009817734.db2.gz ZSHMYGMMMZNNCQ-JTQLQIEISA-N -1 0 316.369 -0.161 20 0 DBADRM Cn1[n-]c(C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)cc1=O ZINC001471392752 1009821391 /nfs/dbraw/zinc/82/13/91/1009821391.db2.gz YCGPAHLLRRTFKE-UHFFFAOYSA-N -1 0 305.294 -0.376 20 0 DBADRM O=C(CC(=O)N1CC[C@@H](c2nnn[n-]2)C1)NCC(F)(F)F ZINC001471459684 1009824199 /nfs/dbraw/zinc/82/41/99/1009824199.db2.gz KPFIILADRKTAOL-ZCFIWIBFSA-N -1 0 306.248 -0.416 20 0 DBADRM COCCn1nc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)ccc1=O ZINC001471461381 1009824212 /nfs/dbraw/zinc/82/42/12/1009824212.db2.gz WRRCDBZHIBKODH-SECBINFHSA-N -1 0 319.325 -0.968 20 0 DBADRM CC[C@H](F)C(=O)NCC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001448616801 1009828481 /nfs/dbraw/zinc/82/84/81/1009828481.db2.gz ALKPRRHVZVAXLY-SFYZADRCSA-N -1 0 317.321 -0.552 20 0 DBADRM Cc1cnc2c(cnn2CC(=O)NCCc2nc(=O)o[n-]2)c1 ZINC001448632524 1009831719 /nfs/dbraw/zinc/83/17/19/1009831719.db2.gz VAVHOIRNQWMFJF-UHFFFAOYSA-N -1 0 302.294 -0.225 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)NC2(c3nnn[n-]3)CCC2)nn1 ZINC001471660215 1009836178 /nfs/dbraw/zinc/83/61/78/1009836178.db2.gz OXLXJFNKCTZTHP-MRVPVSSYSA-N -1 0 306.330 -0.629 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2cnccn2)c1[O-] ZINC001448682095 1009845668 /nfs/dbraw/zinc/84/56/68/1009845668.db2.gz NAIKGWDDOUWMQZ-UHFFFAOYSA-N -1 0 304.310 -0.284 20 0 DBADRM COC[C@H](NC(=O)[C@H](O)CCc1ccccc1)c1nnn[n-]1 ZINC001471845074 1009848252 /nfs/dbraw/zinc/84/82/52/1009848252.db2.gz CUILTMNPVQUBLF-NWDGAFQWSA-N -1 0 305.338 -0.003 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1nnn[n-]1 ZINC001471843553 1009848339 /nfs/dbraw/zinc/84/83/39/1009848339.db2.gz KUEFMDOPIPUZIU-GHMZBOCLSA-N -1 0 317.305 -0.215 20 0 DBADRM COC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccco1)c1nnn[n-]1 ZINC001471845893 1009848454 /nfs/dbraw/zinc/84/84/54/1009848454.db2.gz QBRBTTWUHVMEJC-JGVFFNPUSA-N -1 0 308.298 -0.585 20 0 DBADRM COC[C@H](NC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1nnn[n-]1 ZINC001471844873 1009848615 /nfs/dbraw/zinc/84/86/15/1009848615.db2.gz BKVMXAKREMDYSW-RNJXMRFFSA-N -1 0 305.360 -0.927 20 0 DBADRM COC[C@@H](NC(=O)CCc1ccc(C(N)=O)cc1)c1nnn[n-]1 ZINC001471846357 1009849088 /nfs/dbraw/zinc/84/90/88/1009849088.db2.gz TUBOCGKAOSOBQL-LLVKDONJSA-N -1 0 318.337 -0.265 20 0 DBADRM COC[C@H](NC(=O)[C@H](C)[C@H](C)S(C)(=O)=O)c1nnn[n-]1 ZINC001471844866 1009849542 /nfs/dbraw/zinc/84/95/42/1009849542.db2.gz BKVMXAKREMDYSW-CSMHCCOUSA-N -1 0 305.360 -0.927 20 0 DBADRM CCC(CC)C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001448720350 1009857027 /nfs/dbraw/zinc/85/70/27/1009857027.db2.gz WWMWIYDGLIGOPV-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM O=C(c1csnn1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001472128846 1009869013 /nfs/dbraw/zinc/86/90/13/1009869013.db2.gz GZYQWQSWQJIVIR-UHFFFAOYSA-N -1 0 321.366 -0.290 20 0 DBADRM O=C(NCCOC1CCSCC1)c1n[nH]c(=O)[n-]c1=O ZINC001472271141 1009877169 /nfs/dbraw/zinc/87/71/69/1009877169.db2.gz JPWGIKKACZEIDN-UHFFFAOYSA-N -1 0 300.340 -0.075 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001448791517 1009877244 /nfs/dbraw/zinc/87/72/44/1009877244.db2.gz IIPUPVKGECRWNI-RKDXNWHRSA-N -1 0 324.337 -0.579 20 0 DBADRM COC(=O)[C@H]1C[C@@H]1C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001448791514 1009877602 /nfs/dbraw/zinc/87/76/02/1009877602.db2.gz IIPUPVKGECRWNI-IUCAKERBSA-N -1 0 324.337 -0.579 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2c[nH]c(=O)n2C)c1[O-] ZINC001448789691 1009877747 /nfs/dbraw/zinc/87/77/47/1009877747.db2.gz FHQYFLDDXCSQAN-UHFFFAOYSA-N -1 0 322.325 -0.635 20 0 DBADRM Cn1nccc1C[C@@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001472414150 1009883883 /nfs/dbraw/zinc/88/38/83/1009883883.db2.gz AKZHWZFLTYBFEN-VIFPVBQESA-N -1 0 304.310 -0.136 20 0 DBADRM Cc1ccc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)n1C ZINC001448807439 1009886130 /nfs/dbraw/zinc/88/61/30/1009886130.db2.gz PIHHLYYZNDEXPS-SECBINFHSA-N -1 0 308.342 -0.962 20 0 DBADRM C[C@H]1CCN(Cc2cc(=O)n3[n-]c(N)nc3n2)[C@H](C(N)=O)C1 ZINC001473408779 1009920536 /nfs/dbraw/zinc/92/05/36/1009920536.db2.gz IENSIBFTTMEVAB-CBAPKCEASA-N -1 0 305.342 -0.914 20 0 DBADRM COCCNC(=O)C[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001474770787 1009976654 /nfs/dbraw/zinc/97/66/54/1009976654.db2.gz PAINJKLKQZKWEW-UHFFFAOYSA-N -1 0 320.323 -0.893 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC(=O)OCC1CC1 ZINC001474911031 1009984083 /nfs/dbraw/zinc/98/40/83/1009984083.db2.gz MAAAKYKSIYVSHQ-GOSISDBHSA-N -1 0 313.401 -0.652 20 0 DBADRM COC(=O)C1(S(=O)(=O)[N-][C@]2(C(=O)OC)CCOC2)CCC1 ZINC001475068987 1009992167 /nfs/dbraw/zinc/99/21/67/1009992167.db2.gz UBRCCSDNSKZTFH-LLVKDONJSA-N -1 0 321.351 -0.666 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@]1(O)CCOC1 ZINC001475111608 1009998649 /nfs/dbraw/zinc/99/86/49/1009998649.db2.gz PXCKSYNYDGEQAJ-VIFPVBQESA-N -1 0 300.402 -0.520 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)n1 ZINC001475644497 1010042592 /nfs/dbraw/zinc/04/25/92/1010042592.db2.gz MPEUKMYBGMGGQO-UHFFFAOYSA-N -1 0 314.371 -0.647 20 0 DBADRM CCO[C@@H](CS(=O)(=O)[N-][C@H](C(=O)OC)[C@@H](C)O)C1CC1 ZINC001475668730 1010047239 /nfs/dbraw/zinc/04/72/39/1010047239.db2.gz GAVRGHSYQJGQFE-MIMYLULJSA-N -1 0 309.384 -0.357 20 0 DBADRM CC[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C(=O)OC ZINC001595243071 1017080570 /nfs/dbraw/zinc/08/05/70/1017080570.db2.gz UFIUFQXRPMIDLF-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM CC[C@@H](NC(=O)COCc1ocnc1C(=O)[O-])C(=O)OC ZINC001595242536 1017080896 /nfs/dbraw/zinc/08/08/96/1017080896.db2.gz JYFUMYIJIKIKPU-SSDOTTSWSA-N -1 0 300.267 -0.043 20 0 DBADRM CC[C@@](COC)(NS(=O)(=O)c1ccnn1COC)C(=O)[O-] ZINC001595199210 1017080979 /nfs/dbraw/zinc/08/09/79/1017080979.db2.gz WHBCALVUVKVHCG-NSHDSACASA-N -1 0 321.355 -0.355 20 0 DBADRM CC[C@@H](Cc1cn(C[C@@H](O)CN2CCOCC2)nn1)C(=O)[O-] ZINC001595220292 1017081042 /nfs/dbraw/zinc/08/10/42/1017081042.db2.gz XBMAJCOGHZDMBF-AAEUAGOBSA-N -1 0 312.370 -0.376 20 0 DBADRM CC[C@H](NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1)C(=O)[O-] ZINC001595232571 1017081276 /nfs/dbraw/zinc/08/12/76/1017081276.db2.gz DMQOPOADLAKNGA-XROYCOCOSA-N -1 0 307.306 -0.063 20 0 DBADRM O=S(=O)(c1ccccc1[O-])N1CCS(=O)(=O)CCO1 ZINC001475794665 1010060852 /nfs/dbraw/zinc/06/08/52/1010060852.db2.gz AQQZBSNYPBFHTB-UHFFFAOYSA-N -1 0 307.349 -0.257 20 0 DBADRM CC[C@](COC)(NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1)C(=O)[O-] ZINC001595194290 1017081747 /nfs/dbraw/zinc/08/17/47/1017081747.db2.gz NEGWZOXZBKMDCS-GIPNMCIBSA-N -1 0 312.326 -0.417 20 0 DBADRM CC[C@@H](Cc1cn(C[C@H](O)CN2CCOCC2)nn1)C(=O)[O-] ZINC001595220294 1017081904 /nfs/dbraw/zinc/08/19/04/1017081904.db2.gz XBMAJCOGHZDMBF-WCQYABFASA-N -1 0 312.370 -0.376 20 0 DBADRM CC[C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001595379434 1017083110 /nfs/dbraw/zinc/08/31/10/1017083110.db2.gz DKUIZSLWHQGJAS-IAQYHMDHSA-N -1 0 312.366 -0.069 20 0 DBADRM CCC1(Cn2cc(C(=O)N[C@]3(C(=O)[O-])CCOC3)nn2)COC1 ZINC001595385216 1017083455 /nfs/dbraw/zinc/08/34/55/1017083455.db2.gz CWNXSZMMJIJQGM-CQSZACIVSA-N -1 0 324.337 -0.322 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC001476594822 1010073909 /nfs/dbraw/zinc/07/39/09/1010073909.db2.gz DTELUYGAAHHSKA-SNVBAGLBSA-N -1 0 310.358 -0.035 20 0 DBADRM CCC1(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)COC1 ZINC001595365007 1017084373 /nfs/dbraw/zinc/08/43/73/1017084373.db2.gz GKXKPTKIWWMEIK-OAHLLOKOSA-N -1 0 312.366 -0.199 20 0 DBADRM CCC1(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])COC1 ZINC001595372727 1017084622 /nfs/dbraw/zinc/08/46/22/1017084622.db2.gz SEWFXMPGXKGYIL-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1 ZINC001595393815 1017085707 /nfs/dbraw/zinc/08/57/07/1017085707.db2.gz XONYPHWHCLVIMO-IAQYHMDHSA-N -1 0 312.366 -0.023 20 0 DBADRM CC[C@@H](C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])N1CCO[C@@H](CC)C1 ZINC001595484702 1017085803 /nfs/dbraw/zinc/08/58/03/1017085803.db2.gz XHMWPBFBXLYETE-MROQNXINSA-N -1 0 314.382 -0.078 20 0 DBADRM CC[C@@H]1CN([C@H](C)C(=O)NCC(=O)[O-])C[C@]2(CCOC2)O1 ZINC001595482509 1017087358 /nfs/dbraw/zinc/08/73/58/1017087358.db2.gz DWVCVJPUKKXRKL-GYSYKLTISA-N -1 0 300.355 -0.154 20 0 DBADRM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001595405006 1017087487 /nfs/dbraw/zinc/08/74/87/1017087487.db2.gz OAKOPZNKQBDWRO-SECBINFHSA-N -1 0 315.351 -0.378 20 0 DBADRM CC[C@H](C(=O)N1CC(O)(C(=O)[O-])C1)N1CCO[C@H](CC)C1 ZINC001595484587 1017087665 /nfs/dbraw/zinc/08/76/65/1017087665.db2.gz UARZLJRGTDBMKW-GHMZBOCLSA-N -1 0 300.355 -0.466 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1 ZINC001595393814 1017087792 /nfs/dbraw/zinc/08/77/92/1017087792.db2.gz XONYPHWHCLVIMO-ABAIWWIYSA-N -1 0 312.366 -0.023 20 0 DBADRM CC[C@@H]1CN([C@@H](C)C(=O)NCC(=O)[O-])C[C@]2(CCOC2)O1 ZINC001595482513 1017087990 /nfs/dbraw/zinc/08/79/90/1017087990.db2.gz DWVCVJPUKKXRKL-WDMOLILDSA-N -1 0 300.355 -0.154 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)C1 ZINC001595393817 1017088277 /nfs/dbraw/zinc/08/82/77/1017088277.db2.gz XONYPHWHCLVIMO-XHDPSFHLSA-N -1 0 312.366 -0.023 20 0 DBADRM CC[C@H](C(=O)N[C@@](C)(CO)C(=O)[O-])N1CCO[C@H](CC)C1 ZINC001595484573 1017088292 /nfs/dbraw/zinc/08/82/92/1017088292.db2.gz SSFCCNZIOXIYCC-GYSYKLTISA-N -1 0 302.371 -0.172 20 0 DBADRM CC[C@@H]1COCCN1C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001595500601 1017088710 /nfs/dbraw/zinc/08/87/10/1017088710.db2.gz RBLDWOBHPASLHF-SNVBAGLBSA-N -1 0 324.337 -0.148 20 0 DBADRM Cc1cnc(C)nc1N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001478262208 1010135334 /nfs/dbraw/zinc/13/53/34/1010135334.db2.gz NTKDEAAUPPGGGU-UHFFFAOYSA-N -1 0 321.341 -0.651 20 0 DBADRM CS(=O)(=O)c1cccnc1CNC(=O)CCCc1nnn[n-]1 ZINC001448997344 1010150996 /nfs/dbraw/zinc/15/09/96/1010150996.db2.gz ZOHQZKKZSSZOEH-UHFFFAOYSA-N -1 0 324.366 -0.363 20 0 DBADRM Cc1nc[nH]c1CC(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001479262680 1010225308 /nfs/dbraw/zinc/22/53/08/1010225308.db2.gz FDIDXTHXWVSDGI-SNVBAGLBSA-N -1 0 319.369 -0.183 20 0 DBADRM CN(CCNC(=O)CN1CCOCC1)c1ncc(C(=O)[O-])cn1 ZINC001598489995 1017283371 /nfs/dbraw/zinc/28/33/71/1017283371.db2.gz CXRYPMIEENFYRM-UHFFFAOYSA-N -1 0 323.353 -0.941 20 0 DBADRM CN(CCNC(=O)Cc1cnoc1)c1ncc(C(=O)[O-])cn1 ZINC001598491346 1017285964 /nfs/dbraw/zinc/28/59/64/1017285964.db2.gz WYFALIRGRBPPMQ-UHFFFAOYSA-N -1 0 305.294 -0.042 20 0 DBADRM CN(CCNC(=O)[C@H]1CCC(=O)N1)c1ncc(C(=O)[O-])cn1 ZINC001598492955 1017287109 /nfs/dbraw/zinc/28/71/09/1017287109.db2.gz UOMWVKNULXAMPU-SECBINFHSA-N -1 0 307.310 -0.994 20 0 DBADRM CN(CCNC(=O)[C@]1(C)CCC(=O)N1)c1ccnc(C(=O)[O-])n1 ZINC001598492708 1017287678 /nfs/dbraw/zinc/28/76/78/1017287678.db2.gz QRKOVEVUFOSRKV-AWEZNQCLSA-N -1 0 321.337 -0.604 20 0 DBADRM CNC(=O)NC[C@@H]1CCCCN1C(=O)NCC(=O)[N-]OC ZINC001479462755 1010290445 /nfs/dbraw/zinc/29/04/45/1010290445.db2.gz BZGXRXMIEQOXEL-VIFPVBQESA-N -1 0 301.347 -0.843 20 0 DBADRM C[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)c1nnnn1C ZINC001479490784 1010293622 /nfs/dbraw/zinc/29/36/22/1010293622.db2.gz BMKRFNDYWLEKJC-JGVFFNPUSA-N -1 0 321.345 -0.316 20 0 DBADRM CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001598539345 1017296841 /nfs/dbraw/zinc/29/68/41/1017296841.db2.gz FJLWDGNHEILECZ-UHFFFAOYSA-N -1 0 316.277 -0.284 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)CN1CCOCC1 ZINC001598495441 1017290363 /nfs/dbraw/zinc/29/03/63/1017290363.db2.gz HJJMBIXUHGHYCK-UHFFFAOYSA-N -1 0 323.353 -0.623 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)c1cn(C)c(=O)[nH]1 ZINC001598495555 1017290481 /nfs/dbraw/zinc/29/04/81/1017290481.db2.gz JFDDZUSOVHGSRL-UHFFFAOYSA-N -1 0 320.309 -0.202 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)[C@@]1(F)CCOC1 ZINC001598495510 1017290508 /nfs/dbraw/zinc/29/05/08/1017290508.db2.gz ITEKFNVMRQFFSL-CYBMUJFWSA-N -1 0 312.301 -0.404 20 0 DBADRM CN(CCO)CCNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001598496611 1017290989 /nfs/dbraw/zinc/29/09/89/1017290989.db2.gz UUJFPSFUYLWKBH-UHFFFAOYSA-N -1 0 320.342 -0.274 20 0 DBADRM CN(CCO)CCNS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001598496453 1017291409 /nfs/dbraw/zinc/29/14/09/1017291409.db2.gz KMHZYSCWQOZTPB-UHFFFAOYSA-N -1 0 308.400 -0.525 20 0 DBADRM CN(CCNc1ccc2nccnc2n1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598495739 1017291553 /nfs/dbraw/zinc/29/15/53/1017291553.db2.gz NEQNEBXASVUKKV-VHSXEESVSA-N -1 0 315.333 -0.011 20 0 DBADRM CN(CCn1cnnc1)CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598504082 1017293970 /nfs/dbraw/zinc/29/39/70/1017293970.db2.gz YNNWQIZRSDKOST-UHFFFAOYSA-N -1 0 304.310 -0.058 20 0 DBADRM CN(Cc1cc[nH]n1)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001598508900 1017294116 /nfs/dbraw/zinc/29/41/16/1017294116.db2.gz KQUMYWAVJTUOCG-UHFFFAOYSA-N -1 0 306.282 -0.562 20 0 DBADRM CN(CCOCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1ncc[nH]1 ZINC001598497823 1017294141 /nfs/dbraw/zinc/29/41/41/1017294141.db2.gz LJAYNTNDRMHYAY-VHSXEESVSA-N -1 0 324.337 -0.665 20 0 DBADRM CN(CCn1cnnc1)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001598503460 1017294162 /nfs/dbraw/zinc/29/41/62/1017294162.db2.gz KOAUSLCVJPQWFL-UHFFFAOYSA-N -1 0 311.323 -0.308 20 0 DBADRM CN(Cc1cnccn1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001598532557 1017294759 /nfs/dbraw/zinc/29/47/59/1017294759.db2.gz ADRVOJDPZCDHLM-UHFFFAOYSA-N -1 0 311.323 -0.422 20 0 DBADRM CN(Cc1ncnn1CC(F)F)Cn1cnc(C(=O)[O-])n1 ZINC001598539057 1017294841 /nfs/dbraw/zinc/29/48/41/1017294841.db2.gz LRLFQHDVIFZONH-UHFFFAOYSA-N -1 0 301.257 -0.078 20 0 DBADRM CN(Cc1ccccc1S(N)(=O)=O)C[C@](C)(O)C(=O)[O-] ZINC001598530369 1017295312 /nfs/dbraw/zinc/29/53/12/1017295312.db2.gz CCBHHTPOSJTAIL-LBPRGKRZSA-N -1 0 302.352 -0.399 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC001598521772 1017295807 /nfs/dbraw/zinc/29/58/07/1017295807.db2.gz ZQWWOZUWFRKCLU-UHFFFAOYSA-N -1 0 319.314 -0.395 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 ZINC001598520647 1017295885 /nfs/dbraw/zinc/29/58/85/1017295885.db2.gz GGUVQQOZRVUJTG-UHFFFAOYSA-N -1 0 318.355 -0.891 20 0 DBADRM CN(Cc1ccc(O)cc1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001598519353 1017296142 /nfs/dbraw/zinc/29/61/42/1017296142.db2.gz UKQMGMSKDLQBBH-LBPRGKRZSA-N -1 0 322.317 -0.337 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])CC(=O)NCC(C)(C)C ZINC001598489243 1017283108 /nfs/dbraw/zinc/28/31/08/1017283108.db2.gz MBGFDRCWLMZVSI-GHMZBOCLSA-N -1 0 313.398 -0.083 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)on1 ZINC001449190227 1010357447 /nfs/dbraw/zinc/35/74/47/1010357447.db2.gz OFBALQRTZQVDOX-SECBINFHSA-N -1 0 324.341 -0.628 20 0 DBADRM Cc1[nH]ccc1C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001449193784 1010364259 /nfs/dbraw/zinc/36/42/59/1010364259.db2.gz WJOCTRUPULXVAD-SNVBAGLBSA-N -1 0 322.369 -0.288 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001449254140 1010409594 /nfs/dbraw/zinc/40/95/94/1010409594.db2.gz BWRGHWOUOGMVLD-RKDXNWHRSA-N -1 0 311.342 -0.690 20 0 DBADRM CCN(CCNC(=O)C(C)(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001449271475 1010418220 /nfs/dbraw/zinc/41/82/20/1010418220.db2.gz NNGIEABAAZDTID-UHFFFAOYSA-N -1 0 319.268 -0.484 20 0 DBADRM COCCN(CCNC(=O)c1c[nH]nc1C)Cc1n[nH]c(=O)[n-]1 ZINC001449338847 1010439914 /nfs/dbraw/zinc/43/99/14/1010439914.db2.gz ODWFVTSTUHKTLO-UHFFFAOYSA-N -1 0 323.357 -0.580 20 0 DBADRM CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@H]1CCN(C)C1=O ZINC001449336262 1010442364 /nfs/dbraw/zinc/44/23/64/1010442364.db2.gz PHBHFRORDVLAKK-NSHDSACASA-N -1 0 315.337 -0.622 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCc1ccc2c[nH]nc2c1 ZINC001449390542 1010465835 /nfs/dbraw/zinc/46/58/35/1010465835.db2.gz JVLYWNJJJDMRNG-UHFFFAOYSA-N -1 0 302.294 -0.076 20 0 DBADRM COCCCOCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001479967779 1010485675 /nfs/dbraw/zinc/48/56/75/1010485675.db2.gz KGCVIOQNZDJIEW-SNVBAGLBSA-N -1 0 313.358 -0.746 20 0 DBADRM CCCC(=O)NC1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001449485110 1010488207 /nfs/dbraw/zinc/48/82/07/1010488207.db2.gz BBDBMNKWCFTTBP-UHFFFAOYSA-N -1 0 311.342 -0.500 20 0 DBADRM CCN(CCNC(=O)C(C)(C)C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001449526670 1010499348 /nfs/dbraw/zinc/49/93/48/1010499348.db2.gz FSEULQIBROTVSF-UHFFFAOYSA-N -1 0 311.342 -0.093 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)NC(=O)C(F)F ZINC001449581374 1010517132 /nfs/dbraw/zinc/51/71/32/1010517132.db2.gz VDFCTQDEHBSMBC-IMJSIDKUSA-N -1 0 305.241 -0.829 20 0 DBADRM CCCC(=O)NCC(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001595527460 1017089584 /nfs/dbraw/zinc/08/95/84/1017089584.db2.gz JAMQITJTRIKMJJ-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])CCO2 ZINC001595522029 1017089751 /nfs/dbraw/zinc/08/97/51/1017089751.db2.gz JJCGYNXCYQPMED-GHMZBOCLSA-N -1 0 310.350 -0.053 20 0 DBADRM CC[C@H]1COCCN1C(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001595499734 1017090191 /nfs/dbraw/zinc/09/01/91/1017090191.db2.gz BKHMDELHQSFXKO-VWYCJHECSA-N -1 0 314.338 -0.676 20 0 DBADRM CCC[C@@H](C)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001595580090 1017091269 /nfs/dbraw/zinc/09/12/69/1017091269.db2.gz YRPFSYXWDPFZBR-RKDXNWHRSA-N -1 0 313.397 -0.312 20 0 DBADRM CCC[C@H](C)N1C[C@@H](C(=O)NC[C@@H](O)CC(=O)[O-])CC1=O ZINC001595578839 1017091785 /nfs/dbraw/zinc/09/17/85/1017091785.db2.gz OTMJPBDSRQEKQE-DCAQKATOSA-N -1 0 300.355 -0.025 20 0 DBADRM CCC[C@H](CCCS(C)(=O)=O)C(=O)NC[C@H](O)C(=O)[O-] ZINC001595587022 1017092106 /nfs/dbraw/zinc/09/21/06/1017092106.db2.gz YMTUCGWLHQMRMH-ZJUUUORDSA-N -1 0 309.384 -0.211 20 0 DBADRM CCC[C@H](O)[C@H](CO)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001595607302 1017092227 /nfs/dbraw/zinc/09/22/27/1017092227.db2.gz DTGGYIXRKNCIRX-QWRGUYRKSA-N -1 0 312.322 -0.815 20 0 DBADRM CCC[C@@H](C)N1C[C@@H](C(=O)NCC[C@H](O)C(=O)[O-])CC1=O ZINC001595578358 1017093274 /nfs/dbraw/zinc/09/32/74/1017093274.db2.gz KIHGDIJDKGWVEQ-VWYCJHECSA-N -1 0 300.355 -0.025 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N(CC(=O)[O-])CC(=O)OC ZINC001595637931 1017094019 /nfs/dbraw/zinc/09/40/19/1017094019.db2.gz YTCPIIAQGHNLHZ-QMMMGPOBSA-N -1 0 303.315 -0.700 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@H](CCC(=O)OC)C(=O)[O-] ZINC001595639259 1017094148 /nfs/dbraw/zinc/09/41/48/1017094148.db2.gz UPMSSOIXLMZITH-DTWKUNHWSA-N -1 0 317.342 -0.264 20 0 DBADRM CCCCC[C@@H](O)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001595691223 1017094321 /nfs/dbraw/zinc/09/43/21/1017094321.db2.gz TVPKWHYLZKXPLF-GBIKHYSHSA-N -1 0 321.395 -0.068 20 0 DBADRM CCCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001595626909 1017094828 /nfs/dbraw/zinc/09/48/28/1017094828.db2.gz GZELPXZZRRNWBV-DTWKUNHWSA-N -1 0 304.368 -0.360 20 0 DBADRM CCCC[C@@H](C(=O)[O-])S(=O)(=O)CCCN1C(=O)CNC1=O ZINC001595629872 1017094913 /nfs/dbraw/zinc/09/49/13/1017094913.db2.gz QMAHFVFCUCCNCH-VIFPVBQESA-N -1 0 320.367 -0.014 20 0 DBADRM Cc1cc(C(=O)N2CC(=O)N[C@@H](C)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001449832121 1010574115 /nfs/dbraw/zinc/57/41/15/1010574115.db2.gz TWEIMXXWFBWCAH-ZETCQYMHSA-N -1 0 317.305 -0.295 20 0 DBADRM CCC[C@]1(C)C(=O)NCCN1CCc1cn(CC(=O)[O-])nn1 ZINC001595616453 1017095807 /nfs/dbraw/zinc/09/58/07/1017095807.db2.gz WJQDADYDBILHEX-CQSZACIVSA-N -1 0 309.370 -0.104 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001595637350 1017096234 /nfs/dbraw/zinc/09/62/34/1017096234.db2.gz DADRSQNWCXJBAQ-ZJUUUORDSA-N -1 0 301.343 -0.084 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N1CCN(CC(=O)[O-])CC1 ZINC001595721103 1017098370 /nfs/dbraw/zinc/09/83/70/1017098370.db2.gz LZDZJCWGKCFMPA-UHFFFAOYSA-N -1 0 320.411 -0.180 20 0 DBADRM CCCCN(CCO)C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001595744335 1017098637 /nfs/dbraw/zinc/09/86/37/1017098637.db2.gz CLHDZKDPAKYHMM-GHMZBOCLSA-N -1 0 300.355 -0.214 20 0 DBADRM CCCCN(CCO)C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001595744737 1017098719 /nfs/dbraw/zinc/09/87/19/1017098719.db2.gz NUVNHNSEMQUZPU-LLVKDONJSA-N -1 0 316.354 -0.691 20 0 DBADRM O=C(Cc1nc[nH]n1)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001480267606 1010600391 /nfs/dbraw/zinc/60/03/91/1010600391.db2.gz OYUFGQOOBLFGFQ-SECBINFHSA-N -1 0 320.357 -0.801 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)NCC(=O)NCC(=O)[O-])c2ccccc21 ZINC001598549126 1017298353 /nfs/dbraw/zinc/29/83/53/1017298353.db2.gz JRCFSJYKUFEMFR-SNVBAGLBSA-N -1 0 319.317 -0.546 20 0 DBADRM CN1C(=O)CC[C@H](NS(=O)(=O)CCCCCC(=O)[O-])C1=O ZINC001598547214 1017298424 /nfs/dbraw/zinc/29/84/24/1017298424.db2.gz ATUZYANBHKMOIH-VIFPVBQESA-N -1 0 320.367 -0.302 20 0 DBADRM CN1C(=O)C[C@H](C(=O)NCC(=O)NCC(=O)[O-])c2ccccc21 ZINC001598549124 1017298544 /nfs/dbraw/zinc/29/85/44/1017298544.db2.gz JRCFSJYKUFEMFR-JTQLQIEISA-N -1 0 319.317 -0.546 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1=O ZINC001598550167 1017298692 /nfs/dbraw/zinc/29/86/92/1017298692.db2.gz ZJJKRLOCSALIAZ-NXEZZACHSA-N -1 0 311.338 -0.066 20 0 DBADRM CC(=O)N[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccccc1 ZINC001449991505 1010612304 /nfs/dbraw/zinc/61/23/04/1010612304.db2.gz XYMCYJDQEYZGEP-JTQLQIEISA-N -1 0 317.305 -0.110 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1=O ZINC001598548143 1017299045 /nfs/dbraw/zinc/29/90/45/1017299045.db2.gz IYQBJAYMXRJLJG-IVZWLZJFSA-N -1 0 312.322 -0.338 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1=O ZINC001598545508 1017299155 /nfs/dbraw/zinc/29/91/55/1017299155.db2.gz FRVMQLRDTUAOJZ-MRVPVSSYSA-N -1 0 311.294 -0.976 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598550768 1017299388 /nfs/dbraw/zinc/29/93/88/1017299388.db2.gz YFVQQJDIAGYOSP-WPRPVWTQSA-N -1 0 307.310 -0.630 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC1=O ZINC001598567624 1017309807 /nfs/dbraw/zinc/30/98/07/1017309807.db2.gz ILJNNDINYGPUAY-FCHSOHFDSA-N -1 0 323.349 -0.811 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN([C@H]3CCCNC3=O)CC2)c1[O-] ZINC001480349442 1010616171 /nfs/dbraw/zinc/61/61/71/1010616171.db2.gz UGZCLJZWNUPTRX-JTQLQIEISA-N -1 0 307.354 -0.540 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)CCc3ocnc3C(=O)[O-])C[C@H]2C1=O ZINC001598556789 1017300278 /nfs/dbraw/zinc/30/02/78/1017300278.db2.gz NEDITTBLGZKXFC-OCAPTIKFSA-N -1 0 321.289 -0.621 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])C1=O ZINC001598551143 1017300300 /nfs/dbraw/zinc/30/03/00/1017300300.db2.gz MSBNKBAIXHNQAD-BDAKNGLRSA-N -1 0 313.310 -0.981 20 0 DBADRM CN1C(=O)Cc2cc(S(=O)(=O)N[C@H](CF)C(=O)[O-])ccc21 ZINC001598554239 1017300457 /nfs/dbraw/zinc/30/04/57/1017300457.db2.gz BGKMJHGOAGWRRJ-SECBINFHSA-N -1 0 316.310 -0.094 20 0 DBADRM CN1C[C@H](C(=O)NCc2cccc(OCC(=O)[O-])c2)NC1=O ZINC001598558215 1017301046 /nfs/dbraw/zinc/30/10/46/1017301046.db2.gz ACEBWKYOTDTSHP-LLVKDONJSA-N -1 0 307.306 -0.210 20 0 DBADRM CN1C(=O)CN(CC(=O)NCc2ccc(C(=O)[O-])s2)C1=O ZINC001598551601 1017301330 /nfs/dbraw/zinc/30/13/30/1017301330.db2.gz VONQEOCCVWPXPE-UHFFFAOYSA-N -1 0 311.319 -0.044 20 0 DBADRM CN1C(=O)COc2ccc(C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])cc21 ZINC001598552956 1017301926 /nfs/dbraw/zinc/30/19/26/1017301926.db2.gz IJTCTTPQYVYBNS-KOLCDFICSA-N -1 0 320.301 -0.298 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)C1=O ZINC001598551219 1017301988 /nfs/dbraw/zinc/30/19/88/1017301988.db2.gz NSWGJOWJBJKGHK-GFCCVEGCSA-N -1 0 321.289 -0.472 20 0 DBADRM CN1C[C@H](C(=O)NCCc2ccccc2C(=O)[O-])NCC1=O ZINC001598560219 1017302999 /nfs/dbraw/zinc/30/29/99/1017302999.db2.gz OUAUQJHDFCYTLP-GFCCVEGCSA-N -1 0 305.334 -0.526 20 0 DBADRM CN1C[C@H](C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)CC1=O ZINC001598561151 1017303117 /nfs/dbraw/zinc/30/31/17/1017303117.db2.gz ZKTXJGOTMNPUMI-GPZIFOQPSA-N -1 0 310.350 -0.007 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)C[C@@H](O)CC(C)(C)C)CC1=O ZINC001598561559 1017303190 /nfs/dbraw/zinc/30/31/90/1017303190.db2.gz DNWVXNREICIYEO-ZJUUUORDSA-N -1 0 300.355 -0.073 20 0 DBADRM CN1C[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])NC1=O ZINC001598561580 1017303592 /nfs/dbraw/zinc/30/35/92/1017303592.db2.gz DSYOJWUWOUAKCY-GHMZBOCLSA-N -1 0 309.297 -0.039 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CCO)(NC(=O)C(C)C)C2)c1[O-] ZINC001450130625 1010642220 /nfs/dbraw/zinc/64/22/20/1010642220.db2.gz JIRVPJBATNOEHO-UHFFFAOYSA-N -1 0 310.354 -0.227 20 0 DBADRM CN1CC(=O)Nc2cc(C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])cnc21 ZINC001598560916 1017303992 /nfs/dbraw/zinc/30/39/92/1017303992.db2.gz UPQIYSSWYVWSFW-SCZZXKLOSA-N -1 0 320.305 -0.870 20 0 DBADRM CN1C[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)NC1=O ZINC001598560522 1017304109 /nfs/dbraw/zinc/30/41/09/1017304109.db2.gz RRVVJDNORAYMFU-JQWIXIFHSA-N -1 0 319.317 -0.113 20 0 DBADRM CN1C[C@H](C(=O)NC[C@H](O)CC(=O)[O-])c2ccccc2C1=O ZINC001598558764 1017304136 /nfs/dbraw/zinc/30/41/36/1017304136.db2.gz DVLNJAAKEZVIBN-SKDRFNHKSA-N -1 0 306.318 -0.192 20 0 DBADRM CCNC(=O)[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(C)C ZINC001450173081 1010656481 /nfs/dbraw/zinc/65/64/81/1010656481.db2.gz VENVOMHWNOIXEW-JTQLQIEISA-N -1 0 313.358 -0.254 20 0 DBADRM CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)C(C)(C)C(N)=O ZINC001450213854 1010666763 /nfs/dbraw/zinc/66/67/63/1010666763.db2.gz VKSPRCHOGOXEKJ-UHFFFAOYSA-N -1 0 303.326 -0.589 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C[C@H]2CCCS(=O)(=O)C2)CC1=O ZINC001598564479 1017308330 /nfs/dbraw/zinc/30/83/30/1017308330.db2.gz VEQRYEFEIDBXFK-NXEZZACHSA-N -1 0 304.368 -0.962 20 0 DBADRM Cn1cc(-c2cc(CN3CC(=O)N(C)C[C@@H]3C(=O)[O-])on2)cn1 ZINC001598563525 1017308469 /nfs/dbraw/zinc/30/84/69/1017308469.db2.gz KVSCHCUWTCCPFQ-GFCCVEGCSA-N -1 0 319.321 -0.198 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@H]2Cc3cc(F)ccc3O2)CC1=O ZINC001598564281 1017308582 /nfs/dbraw/zinc/30/85/82/1017308582.db2.gz WYRLXRJWFUNETN-ZYHUDNBSSA-N -1 0 322.292 -0.117 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cnn(CC3CC3)c2)CC1=O ZINC001598564801 1017308614 /nfs/dbraw/zinc/30/86/14/1017308614.db2.gz YPBZKALSOLEHJD-NSHDSACASA-N -1 0 306.322 -0.340 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@H]2CCCc3n[nH]cc32)CC1=O ZINC001598564435 1017308701 /nfs/dbraw/zinc/30/87/01/1017308701.db2.gz YKOPAHRMKODJAP-KWQFWETISA-N -1 0 306.322 -0.417 20 0 DBADRM Cn1cnc2ccc(C(=O)N3CC(=O)N(C)C[C@H]3C(=O)[O-])nc21 ZINC001598563940 1017308777 /nfs/dbraw/zinc/30/87/77/1017308777.db2.gz WYOOIOOPFRURPD-JTQLQIEISA-N -1 0 317.305 -0.664 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(Cc2nccn2CC(F)F)CC1=O ZINC001598565848 1017309421 /nfs/dbraw/zinc/30/94/21/1017309421.db2.gz KLICZXGYSBDBBP-QMMMGPOBSA-N -1 0 302.281 -0.125 20 0 DBADRM Cn1cc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1C(=O)[O-] ZINC001598545535 1017297740 /nfs/dbraw/zinc/29/77/40/1017297740.db2.gz GQUYPKOQHKRUKO-UHFFFAOYSA-N -1 0 308.250 -0.918 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001450391709 1010717984 /nfs/dbraw/zinc/71/79/84/1010717984.db2.gz BMHORZJOQKSZEX-SSDOTTSWSA-N -1 0 316.339 -0.820 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001450457133 1010732425 /nfs/dbraw/zinc/73/24/25/1010732425.db2.gz JNRMPIIEIJYHDD-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)N(C)CC(=O)N1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001450592314 1010765398 /nfs/dbraw/zinc/76/53/98/1010765398.db2.gz KHEZQQCOHBSJGV-UHFFFAOYSA-N -1 0 323.353 -0.910 20 0 DBADRM CCC(=O)N(C)C[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001450868845 1010810456 /nfs/dbraw/zinc/81/04/56/1010810456.db2.gz BPLBMGYNJBKPLE-SECBINFHSA-N -1 0 320.353 -0.556 20 0 DBADRM CCN(CCNC(=O)c1nn(C)cc1C)Cc1n[nH]c(=O)[n-]1 ZINC001480974658 1010819623 /nfs/dbraw/zinc/81/96/23/1010819623.db2.gz RPLZMCKKTJBAHW-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM CCN(CCNC(=O)Cc1nonc1C)Cc1n[nH]c(=O)[n-]1 ZINC001481010353 1010826813 /nfs/dbraw/zinc/82/68/13/1010826813.db2.gz YONHVINHCLSGGU-UHFFFAOYSA-N -1 0 309.330 -0.617 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]1CC ZINC001451036593 1010841880 /nfs/dbraw/zinc/84/18/80/1010841880.db2.gz HRQPCUWMRWPINZ-IWSPIJDZSA-N -1 0 323.353 -0.047 20 0 DBADRM CCCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ccon1 ZINC001481141532 1010845908 /nfs/dbraw/zinc/84/59/08/1010845908.db2.gz XYKLQKCOYFJMGV-UHFFFAOYSA-N -1 0 322.325 -0.087 20 0 DBADRM CC[C@H](F)C(=O)N(C)C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001451194894 1010865767 /nfs/dbraw/zinc/86/57/67/1010865767.db2.gz YDKVYQKWUXADHG-SFYZADRCSA-N -1 0 317.321 -0.600 20 0 DBADRM O=C(Cc1ncccc1F)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481641723 1010946951 /nfs/dbraw/zinc/94/69/51/1010946951.db2.gz VCYRCVMTAMUGFH-UHFFFAOYSA-N -1 0 320.328 -0.165 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001451499131 1010971428 /nfs/dbraw/zinc/97/14/28/1010971428.db2.gz NQVQQKAJEPEBLH-HTQZYQBOSA-N -1 0 311.342 -0.189 20 0 DBADRM CN(C(=O)C(C)(C)C(N)=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481729201 1010983347 /nfs/dbraw/zinc/98/33/47/1010983347.db2.gz AJNKTFSWNLLZOT-MRVPVSSYSA-N -1 0 310.358 -0.946 20 0 DBADRM CCN(C(=O)[C@H](O)C(C)C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481766518 1010992906 /nfs/dbraw/zinc/99/29/06/1010992906.db2.gz LFYJVHINWXBGPG-CMPLNLGQSA-N -1 0 311.386 -0.050 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN(C)C(=O)C(C)(C)F)c1[O-] ZINC001451773650 1011033528 /nfs/dbraw/zinc/03/35/28/1011033528.db2.gz KYUWKWWVEBRWMP-MRVPVSSYSA-N -1 0 316.333 -0.279 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC(=O)c1c(F)cccc1F ZINC001451956817 1011087504 /nfs/dbraw/zinc/08/75/04/1011087504.db2.gz YLQXNULAXIEBND-UHFFFAOYSA-N -1 0 312.232 -0.033 20 0 DBADRM CC(C)[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1(C)CC1 ZINC001451992529 1011093712 /nfs/dbraw/zinc/09/37/12/1011093712.db2.gz CAVMZADPVIBHAU-QMMMGPOBSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@H](CNCc1ncccn1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001482306299 1011114102 /nfs/dbraw/zinc/11/41/02/1011114102.db2.gz GYMXQLWTOTZHNW-MRVPVSSYSA-N -1 0 319.325 -0.677 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001452154801 1011117477 /nfs/dbraw/zinc/11/74/77/1011117477.db2.gz XQHDLUFOMMWSRD-BQBZGAKWSA-N -1 0 320.371 -0.496 20 0 DBADRM CC(=O)N1CC[C@@H](C)[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001452310753 1011187036 /nfs/dbraw/zinc/18/70/36/1011187036.db2.gz ZCJDGFOHSZPTOF-SCZZXKLOSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)Cc2nncn2C)c1[O-] ZINC001482590203 1011196201 /nfs/dbraw/zinc/19/62/01/1011196201.db2.gz OFUIUGCHUFTOFQ-UHFFFAOYSA-N -1 0 307.358 -0.244 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC001452358900 1011222528 /nfs/dbraw/zinc/22/25/28/1011222528.db2.gz GEDXNZIYEVNYSC-UHFFFAOYSA-N -1 0 323.309 -0.910 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC001452369344 1011230597 /nfs/dbraw/zinc/23/05/97/1011230597.db2.gz YNGGFJAOICIJAC-QMMMGPOBSA-N -1 0 320.371 -0.715 20 0 DBADRM CN(CCN(C)C(=O)[C@@]1(F)CCOC1)Cc1n[nH]c(=O)[n-]1 ZINC001482623894 1011232291 /nfs/dbraw/zinc/23/22/91/1011232291.db2.gz MPHSEOJRJXPAQP-GFCCVEGCSA-N -1 0 301.322 -0.471 20 0 DBADRM CCc1cnc(CNC[C@@H](O)CNC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001482720905 1011322404 /nfs/dbraw/zinc/32/24/04/1011322404.db2.gz IEZDJVOIOFMJLJ-SECBINFHSA-N -1 0 323.353 -0.145 20 0 DBADRM CN1C[C@H](O)C[C@]1(C)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001598568702 1017310935 /nfs/dbraw/zinc/31/09/35/1017310935.db2.gz DULOAPSQNYTNNS-OPQQBVKSSA-N -1 0 302.396 -0.282 20 0 DBADRM CN1C[C@H](COC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1=O ZINC001598568267 1017311677 /nfs/dbraw/zinc/31/16/77/1017311677.db2.gz ZOHUZVUCTLXUBQ-SECBINFHSA-N -1 0 308.290 -0.432 20 0 DBADRM C[N@@H+]1C[C@@H]2CC[C@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])no3)[C@@H]2C1 ZINC001598575927 1017312544 /nfs/dbraw/zinc/31/25/44/1017312544.db2.gz SDPKKCKIQQBXTQ-YIZRAAEISA-N -1 0 315.351 -0.009 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001452795044 1011412855 /nfs/dbraw/zinc/41/28/55/1011412855.db2.gz ODMQSMPGUHJGQV-DTWKUNHWSA-N -1 0 300.315 -0.922 20 0 DBADRM CN1CC2(CN(C(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)C2)OC1=O ZINC001598572379 1017314450 /nfs/dbraw/zinc/31/44/50/1017314450.db2.gz JFFGNCZHCJVGHV-VHSXEESVSA-N -1 0 312.322 -0.081 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C ZINC001452829067 1011426288 /nfs/dbraw/zinc/42/62/88/1011426288.db2.gz YQNDHFZQPYCDOC-QMMMGPOBSA-N -1 0 305.331 -0.944 20 0 DBADRM Cn1cc(CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)nn1 ZINC001452834358 1011428666 /nfs/dbraw/zinc/42/86/66/1011428666.db2.gz FRMNECNIYSZDDW-UHFFFAOYSA-N -1 0 315.293 -0.675 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)S1(=O)=O ZINC001598579781 1017316339 /nfs/dbraw/zinc/31/63/39/1017316339.db2.gz VQPSKAXLAVZPPD-XXFSISAASA-N -1 0 316.379 -0.364 20 0 DBADRM CN1CC[C@@H](C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CC1=O ZINC001598579488 1017316399 /nfs/dbraw/zinc/31/63/99/1017316399.db2.gz YUMPRZPSEBXDIL-OTYXRUKQSA-N -1 0 309.322 -0.313 20 0 DBADRM CN1CC[C@H](C(=O)N2CCSC[C@H]2C(=O)[O-])S1(=O)=O ZINC001598580556 1017317209 /nfs/dbraw/zinc/31/72/09/1017317209.db2.gz LTWKHUPYIJEGHJ-JGVFFNPUSA-N -1 0 308.381 -0.951 20 0 DBADRM CN1CCC(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CC1 ZINC001598581473 1017319356 /nfs/dbraw/zinc/31/93/56/1017319356.db2.gz UQVBSNURXAPZJV-NSHDSACASA-N -1 0 318.395 -0.572 20 0 DBADRM CCN(CCNCc1coc(C)n1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001482966067 1011565211 /nfs/dbraw/zinc/56/52/11/1011565211.db2.gz TYBZQTHRSZXFER-UHFFFAOYSA-N -1 0 324.341 -0.376 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3n[nH]cc3F)CC2)c1[O-] ZINC001453358570 1011636477 /nfs/dbraw/zinc/63/64/77/1011636477.db2.gz LOXCMNANCGQXDU-UHFFFAOYSA-N -1 0 322.300 -0.022 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001483071189 1011662708 /nfs/dbraw/zinc/66/27/08/1011662708.db2.gz KSFLAQYZKAAGMX-SNAWJCMRSA-N -1 0 310.358 -0.813 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC=CCNCc1cscn1 ZINC001483086732 1011671755 /nfs/dbraw/zinc/67/17/55/1011671755.db2.gz IMCMJAGMIDQQDT-OWOJBTEDSA-N -1 0 324.366 -0.392 20 0 DBADRM CCC(=O)N1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001453455710 1011681425 /nfs/dbraw/zinc/68/14/25/1011681425.db2.gz AGNGKCSATKEMTK-UHFFFAOYSA-N -1 0 311.342 -0.450 20 0 DBADRM CC(=O)N1CCC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001453727177 1011805221 /nfs/dbraw/zinc/80/52/21/1011805221.db2.gz BIWCUNGEJYJGRE-UHFFFAOYSA-N -1 0 309.326 -0.658 20 0 DBADRM CSCC[C@H](NC(=O)CCc1cn(C)nn1)c1nnn[n-]1 ZINC001453779119 1011812591 /nfs/dbraw/zinc/81/25/91/1011812591.db2.gz FHJBNMMJYYSNTG-VIFPVBQESA-N -1 0 310.387 -0.129 20 0 DBADRM CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001454048362 1011850882 /nfs/dbraw/zinc/85/08/82/1011850882.db2.gz PYAONJOVJHCUFR-AMIZOPFISA-N -1 0 312.326 -0.073 20 0 DBADRM Cc1cnc(CN(C)C[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001483358720 1011853409 /nfs/dbraw/zinc/85/34/09/1011853409.db2.gz YUOXPEKFVCVAGR-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM C[C@@H](CN(C)Cc1nccn1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001483412592 1011868890 /nfs/dbraw/zinc/86/88/90/1011868890.db2.gz XYOPTXJGIIPLOQ-VIFPVBQESA-N -1 0 323.357 -0.941 20 0 DBADRM Cn1cncc1[C@H](CO)NC(=O)c1c[n-]n2c1nccc2=O ZINC001454166969 1011879918 /nfs/dbraw/zinc/87/99/18/1011879918.db2.gz LTSILOMJZYZBBV-VIFPVBQESA-N -1 0 302.294 -0.781 20 0 DBADRM Cc1ccc(C)c(S(=O)(=O)NCC(=O)N(C)c2nnn[n-]2)c1 ZINC001454172873 1011882060 /nfs/dbraw/zinc/88/20/60/1011882060.db2.gz NJKWLHVSOCWMLU-UHFFFAOYSA-N -1 0 324.366 -0.242 20 0 DBADRM CC(=O)N[C@@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001454183457 1011882889 /nfs/dbraw/zinc/88/28/89/1011882889.db2.gz XKERPEORIORJEC-JTQLQIEISA-N -1 0 311.342 -0.500 20 0 DBADRM CCCN(C(=O)Cn1cc(C(=O)[O-])cn1)[C@@H]1CC(=O)N(C)C1=O ZINC001595821088 1017100777 /nfs/dbraw/zinc/10/07/77/1017100777.db2.gz JGOLXAXQPIFQML-SNVBAGLBSA-N -1 0 322.321 -0.423 20 0 DBADRM CCCN(CCO)C(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001595882135 1017103100 /nfs/dbraw/zinc/10/31/00/1017103100.db2.gz DHXXDCMYTBPQDP-CQSZACIVSA-N -1 0 300.355 -0.069 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)cnc1C ZINC001595849132 1017103698 /nfs/dbraw/zinc/10/36/98/1017103698.db2.gz XWLUACXMUKMCLY-UHFFFAOYSA-N -1 0 315.351 -0.026 20 0 DBADRM CCCN(CCO)C(=O)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC001595882345 1017103757 /nfs/dbraw/zinc/10/37/57/1017103757.db2.gz GZFDWUCGZPOLED-WDEREUQCSA-N -1 0 300.355 -0.023 20 0 DBADRM CCCN(CC(=O)OC)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001595860761 1017103799 /nfs/dbraw/zinc/10/37/99/1017103799.db2.gz UWHZTRJYKRTVEH-UHFFFAOYSA-N -1 0 305.312 -0.318 20 0 DBADRM COC[C@H](NC(=O)c1ccc(C(N)=S)cc1)c1nnn[n-]1 ZINC001595889560 1017103937 /nfs/dbraw/zinc/10/39/37/1017103937.db2.gz RSEJFLFBBDURAN-VIFPVBQESA-N -1 0 306.351 -0.049 20 0 DBADRM CCCN(CCNC(=O)Cn1cncn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001595882972 1017104382 /nfs/dbraw/zinc/10/43/82/1017104382.db2.gz PMMPTHUFEMSRDU-QWRGUYRKSA-N -1 0 323.353 -0.646 20 0 DBADRM CCCN(CC1CC1)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001595870504 1017104632 /nfs/dbraw/zinc/10/46/32/1017104632.db2.gz NJBZZGKGLGTGNF-RYUDHWBXSA-N -1 0 312.366 -0.071 20 0 DBADRM CCCN(CCNC(=O)CNC(C)=O)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001595882362 1017104773 /nfs/dbraw/zinc/10/47/73/1017104773.db2.gz HKZAAZQINIYPMR-MNOVXSKESA-N -1 0 313.354 -0.802 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1cnnn1C ZINC001595878468 1017104785 /nfs/dbraw/zinc/10/47/85/1017104785.db2.gz CWVPGGINVFPLPD-NXEZZACHSA-N -1 0 323.353 -0.496 20 0 DBADRM CCCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1cnnn1C ZINC001595878471 1017104953 /nfs/dbraw/zinc/10/49/53/1017104953.db2.gz CWVPGGINVFPLPD-VHSXEESVSA-N -1 0 323.353 -0.496 20 0 DBADRM CCCNC(=O)[C@@H](C)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001595915486 1017106200 /nfs/dbraw/zinc/10/62/00/1017106200.db2.gz OWQKWOAKTFRGTE-MRVPVSSYSA-N -1 0 313.310 -0.080 20 0 DBADRM CCCN1C[C@H](CNC(=O)Cn2ccc(C(=O)[O-])n2)CC1=O ZINC001595901782 1017106301 /nfs/dbraw/zinc/10/63/01/1017106301.db2.gz MQSQYWILJWAEAO-JTQLQIEISA-N -1 0 308.338 -0.044 20 0 DBADRM CCn1ccc(CC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001483653842 1012017743 /nfs/dbraw/zinc/01/77/43/1012017743.db2.gz VADWKSGKMMRDIM-LLVKDONJSA-N -1 0 319.369 -0.340 20 0 DBADRM CCCNC(=O)CCCC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001595920915 1017106393 /nfs/dbraw/zinc/10/63/93/1017106393.db2.gz ZGSSLDCAXIWOQN-SNVBAGLBSA-N -1 0 313.354 -0.563 20 0 DBADRM CCCNC(=O)NC(=O)CN1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC001595926233 1017106998 /nfs/dbraw/zinc/10/69/98/1017106998.db2.gz YJWFYSVGTCDDRN-NXEZZACHSA-N -1 0 301.343 -0.214 20 0 DBADRM CCCC(=O)NC[C@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001454538983 1012027270 /nfs/dbraw/zinc/02/72/70/1012027270.db2.gz GZIOYMBMCULLOB-QMMMGPOBSA-N -1 0 306.326 -0.548 20 0 DBADRM O=C(CCC(=O)N1CCOC[C@@H]1c1nnn[n-]1)NC1CCCC1 ZINC001454552957 1012033383 /nfs/dbraw/zinc/03/33/83/1012033383.db2.gz JEUSPVKDBPPXHN-LLVKDONJSA-N -1 0 322.369 -0.061 20 0 DBADRM CCCNC(=O)CCCC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454553311 1012034574 /nfs/dbraw/zinc/03/45/74/1012034574.db2.gz LKPYOUBVSXCSKG-JTQLQIEISA-N -1 0 310.358 -0.204 20 0 DBADRM CCCN1C[C@@H](C(=O)O[C@H](CC(=O)[O-])C(=O)OC)CC1=O ZINC001595901996 1017108263 /nfs/dbraw/zinc/10/82/63/1017108263.db2.gz QJNYCXLNBGSBSM-DTWKUNHWSA-N -1 0 301.295 -0.196 20 0 DBADRM O=C(c1cnc2[nH]cnc2c1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454551911 1012034957 /nfs/dbraw/zinc/03/49/57/1012034957.db2.gz CLCURDVKCKLNIC-VIFPVBQESA-N -1 0 300.282 -0.315 20 0 DBADRM O=C(c1cnn2cccnc12)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454555639 1012036758 /nfs/dbraw/zinc/03/67/58/1012036758.db2.gz QVWCZAXPSHCUOO-VIFPVBQESA-N -1 0 300.282 -0.544 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)cn1 ZINC001454555489 1012039046 /nfs/dbraw/zinc/03/90/46/1012039046.db2.gz LKGIDFILQQIWMY-JTQLQIEISA-N -1 0 318.293 -0.405 20 0 DBADRM CCNC(=O)CCC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001483722453 1012089814 /nfs/dbraw/zinc/08/98/14/1012089814.db2.gz XKHPNJUSHJKRGS-UHFFFAOYSA-N -1 0 310.358 -0.835 20 0 DBADRM C[C@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)C1CCC1 ZINC001454677803 1012093789 /nfs/dbraw/zinc/09/37/89/1012093789.db2.gz QYVULEDZQSVOKU-MRVPVSSYSA-N -1 0 323.353 -0.364 20 0 DBADRM CCn1nccc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001483728805 1012094506 /nfs/dbraw/zinc/09/45/06/1012094506.db2.gz MZGVYSVJURPLRZ-UHFFFAOYSA-N -1 0 305.342 -0.221 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC1(F)F ZINC001454692322 1012099290 /nfs/dbraw/zinc/09/92/90/1012099290.db2.gz CFOWLEWRWMFXJQ-WHFBIAKZSA-N -1 0 317.252 -0.828 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC1(F)F ZINC001454692310 1012099373 /nfs/dbraw/zinc/09/93/73/1012099373.db2.gz CFOWLEWRWMFXJQ-CRCLSJGQSA-N -1 0 317.252 -0.828 20 0 DBADRM NC(=O)C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CCCCCC1 ZINC001483813613 1012150720 /nfs/dbraw/zinc/15/07/20/1012150720.db2.gz XDNJVWCQIGBZGN-UHFFFAOYSA-N -1 0 324.385 -0.363 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CC[C@@H](c2nnn[n-]2)C1)C(C)C ZINC001455128823 1012227407 /nfs/dbraw/zinc/22/74/07/1012227407.db2.gz CNAJXGNKQKSQDU-KOLCDFICSA-N -1 0 310.358 -0.697 20 0 DBADRM O=C(c1ccc(-n2ccnc2)nn1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001455135483 1012230422 /nfs/dbraw/zinc/23/04/22/1012230422.db2.gz VIBKCUNTZCVDSK-VIFPVBQESA-N -1 0 311.309 -0.195 20 0 DBADRM O=C(CCC(=O)N1CCC(O)CC1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001455131886 1012230744 /nfs/dbraw/zinc/23/07/44/1012230744.db2.gz LQGSNESBDXVZPC-JTQLQIEISA-N -1 0 322.369 -0.721 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001455133758 1012230865 /nfs/dbraw/zinc/23/08/65/1012230865.db2.gz QZKKIPWAGXLEGD-QMMMGPOBSA-N -1 0 303.326 -0.506 20 0 DBADRM CCC[C@@H](C(=O)N(Cc1nnn[n-]1)CC(C)C)S(N)(=O)=O ZINC001455322867 1012339270 /nfs/dbraw/zinc/33/92/70/1012339270.db2.gz OMSVXKGMHJTWGB-VIFPVBQESA-N -1 0 318.403 -0.359 20 0 DBADRM C[C@H](C(=O)NC1(c2nnn[n-]2)CCC1)[C@H](C)S(C)(=O)=O ZINC001455349567 1012356785 /nfs/dbraw/zinc/35/67/85/1012356785.db2.gz OPINLQSTYSBYKR-YUMQZZPRSA-N -1 0 301.372 -0.236 20 0 DBADRM CN(CCNC(=O)CC1(C)CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001455358838 1012359635 /nfs/dbraw/zinc/35/96/35/1012359635.db2.gz NXCMQEIOCLQMGI-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)c1cn(C)nn1 ZINC001455550839 1012441382 /nfs/dbraw/zinc/44/13/82/1012441382.db2.gz ASENSBMIZHCSQY-UHFFFAOYSA-N -1 0 321.341 -0.556 20 0 DBADRM CCc1nccn1CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001455622380 1012462602 /nfs/dbraw/zinc/46/26/02/1012462602.db2.gz VVUNMBDBXCDEMC-UHFFFAOYSA-N -1 0 315.337 -0.354 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C(C)(C)C ZINC001455633364 1012467069 /nfs/dbraw/zinc/46/70/69/1012467069.db2.gz BPKMPKQWVZDPRM-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM COC[C@H](NC(=O)c1ccc(CO)cc1OC)c1nnn[n-]1 ZINC001455725676 1012493541 /nfs/dbraw/zinc/49/35/41/1012493541.db2.gz AYPSTOBJHIEWOB-JTQLQIEISA-N -1 0 307.310 -0.182 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CCc2nnc(C)n2C1)c1nnn[n-]1 ZINC001455726770 1012494840 /nfs/dbraw/zinc/49/48/40/1012494840.db2.gz DSRDLZGFEUVGDU-IUCAKERBSA-N -1 0 306.330 -0.834 20 0 DBADRM O=C(c1ccn2nnnc2c1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001455737916 1012496580 /nfs/dbraw/zinc/49/65/80/1012496580.db2.gz BLSUVBDTGMAIIJ-SECBINFHSA-N -1 0 313.325 -0.268 20 0 DBADRM CCO[C@@H](C(=O)N[C@@H](COC)c1nnn[n-]1)C1CCOCC1 ZINC001455730553 1012498155 /nfs/dbraw/zinc/49/81/55/1012498155.db2.gz SCQIPNHMSRBQAS-WDEREUQCSA-N -1 0 313.358 -0.165 20 0 DBADRM COC[C@@H](NC(=O)CNC(=O)c1ccc(C)s1)c1nnn[n-]1 ZINC001455734017 1012498199 /nfs/dbraw/zinc/49/81/99/1012498199.db2.gz FRSQDCQYNIFERG-MRVPVSSYSA-N -1 0 324.366 -0.197 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001455750095 1012503680 /nfs/dbraw/zinc/50/36/80/1012503680.db2.gz CQMXYJJCBSLLJC-AEJSXWLSSA-N -1 0 323.353 -0.548 20 0 DBADRM CS(=O)(=O)CCC(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001455747875 1012503805 /nfs/dbraw/zinc/50/38/05/1012503805.db2.gz ZTDHSHGCEGGLOX-VIFPVBQESA-N -1 0 301.372 -0.585 20 0 DBADRM CN(C)Cc1csc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001455880446 1012535142 /nfs/dbraw/zinc/53/51/42/1012535142.db2.gz PCJZIYZQOACTPD-UHFFFAOYSA-N -1 0 310.339 -0.269 20 0 DBADRM CCCC(=O)NC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001456211453 1012579372 /nfs/dbraw/zinc/57/93/72/1012579372.db2.gz WBUIPYQGOVEUCB-UHFFFAOYSA-N -1 0 303.322 -0.237 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC(N2CCCC2=O)C1 ZINC001456296821 1012639278 /nfs/dbraw/zinc/63/92/78/1012639278.db2.gz DOJZGSXSARAIQJ-UHFFFAOYSA-N -1 0 309.326 -0.697 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NC1CN(C(=O)CC2CC2)C1 ZINC001456338136 1012662306 /nfs/dbraw/zinc/66/23/06/1012662306.db2.gz SRDYSVLCOVGBET-UHFFFAOYSA-N -1 0 321.337 -0.658 20 0 DBADRM O=C(N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC12CC2 ZINC001484444271 1012663264 /nfs/dbraw/zinc/66/32/64/1012663264.db2.gz QMCPWSPJLCDIDC-ZUZCIYMTSA-N -1 0 321.381 -0.247 20 0 DBADRM O=C(N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CC12CC2 ZINC001484444266 1012664040 /nfs/dbraw/zinc/66/40/40/1012664040.db2.gz QMCPWSPJLCDIDC-BMIGLBTASA-N -1 0 321.381 -0.247 20 0 DBADRM CC(C)C(=O)NCC1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001456445257 1012711463 /nfs/dbraw/zinc/71/14/63/1012711463.db2.gz LCJKPERBNLJBED-UHFFFAOYSA-N -1 0 323.353 -0.554 20 0 DBADRM CC(C)(F)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001484584575 1012781491 /nfs/dbraw/zinc/78/14/91/1012781491.db2.gz PARXCJDPYUPCTH-MRVPVSSYSA-N -1 0 301.322 -0.425 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001484592606 1012788603 /nfs/dbraw/zinc/78/86/03/1012788603.db2.gz GRIUPDABCDCIMI-KOLCDFICSA-N -1 0 309.370 -0.127 20 0 DBADRM C[C@H](C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001484592610 1012789727 /nfs/dbraw/zinc/78/97/27/1012789727.db2.gz GRIUPDABCDCIMI-ONGXEEELSA-N -1 0 309.370 -0.127 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001456779822 1012813193 /nfs/dbraw/zinc/81/31/93/1012813193.db2.gz CZJBNPUKUHTKLL-YUMQZZPRSA-N -1 0 304.372 -0.369 20 0 DBADRM CC[C@H](CNC(=O)c1cn(C)nn1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001456776183 1012814501 /nfs/dbraw/zinc/81/45/01/1012814501.db2.gz CALGSUSNORZKPY-MRVPVSSYSA-N -1 0 321.341 -0.509 20 0 DBADRM C[C@@H](NC(=O)Cn1nc2n(c1=O)CCCC2)c1nn(C)cc1[O-] ZINC001456791202 1012815747 /nfs/dbraw/zinc/81/57/47/1012815747.db2.gz SAUNRDPRJNYXTJ-SECBINFHSA-N -1 0 320.353 -0.302 20 0 DBADRM C[C@@H](NC(=O)CCN1CCCS1(=O)=O)c1nn(C)cc1[O-] ZINC001456795430 1012817183 /nfs/dbraw/zinc/81/71/83/1012817183.db2.gz PWPHLIDOBSLBQH-SECBINFHSA-N -1 0 316.383 -0.272 20 0 DBADRM CC[C@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001456896654 1012830105 /nfs/dbraw/zinc/83/01/05/1012830105.db2.gz KUNQZBRGRMAFCL-BWZBUEFSSA-N -1 0 309.326 -0.437 20 0 DBADRM CCCC(=O)NC[C@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001457210579 1012854101 /nfs/dbraw/zinc/85/41/01/1012854101.db2.gz WYZINTVCOKZYFK-MRVPVSSYSA-N -1 0 309.326 -0.196 20 0 DBADRM C[C@@H](CNC(=O)CC1CC1)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001457248402 1012857507 /nfs/dbraw/zinc/85/75/07/1012857507.db2.gz OIFNJJOTVUQKHC-QMMMGPOBSA-N -1 0 311.342 -0.642 20 0 DBADRM O=C(c1ccoc1)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001484828276 1012867621 /nfs/dbraw/zinc/86/76/21/1012867621.db2.gz DOTIDODDCITQGP-AWEZNQCLSA-N -1 0 321.337 -0.140 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC001484969956 1012924572 /nfs/dbraw/zinc/92/45/72/1012924572.db2.gz OFKLQZXRESOCTM-WCBMZHEXSA-N -1 0 310.358 -0.885 20 0 DBADRM CNC(=O)CN(C)C[C@H]1CCCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001485055914 1012975435 /nfs/dbraw/zinc/97/54/35/1012975435.db2.gz NILJSHATPJSGJZ-SNVBAGLBSA-N -1 0 309.370 -0.294 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NCc2nncn2C)c1[O-] ZINC001485138821 1013015428 /nfs/dbraw/zinc/01/54/28/1013015428.db2.gz IFWPIDNUCVFEAB-YUMQZZPRSA-N -1 0 307.358 -0.151 20 0 DBADRM CCCOC(=O)CCNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001595939967 1017109793 /nfs/dbraw/zinc/10/97/93/1017109793.db2.gz JQFWCXWAVKJQCT-UHFFFAOYSA-N -1 0 305.312 -0.271 20 0 DBADRM CCCOCC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001595945339 1017110132 /nfs/dbraw/zinc/11/01/32/1017110132.db2.gz ISTCRRZOHRZSRA-ZJUUUORDSA-N -1 0 324.337 -0.733 20 0 DBADRM CCCOC(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001595940409 1017110290 /nfs/dbraw/zinc/11/02/90/1017110290.db2.gz VOIGFWNXZVENFT-UHFFFAOYSA-N -1 0 305.312 -0.271 20 0 DBADRM CCCS(=O)(=O)CCN1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001595980199 1017113514 /nfs/dbraw/zinc/11/35/14/1017113514.db2.gz KZEJNMCBPRTHST-VHSXEESVSA-N -1 0 307.368 -0.383 20 0 DBADRM Cc1cc(=O)n2nc([N-]C(=O)C(=O)c3cnn(C)c3)[nH]c2n1 ZINC001596080131 1017113792 /nfs/dbraw/zinc/11/37/92/1017113792.db2.gz AOHCFDKKHUGEHE-UHFFFAOYSA-N -1 0 301.266 -0.719 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001596183207 1017116833 /nfs/dbraw/zinc/11/68/33/1017116833.db2.gz HPSHHSCQSBJMRC-NXEZZACHSA-N -1 0 313.354 -0.850 20 0 DBADRM CCNC(=O)N1CC[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001596468225 1017151843 /nfs/dbraw/zinc/15/18/43/1017151843.db2.gz HLTFLSBOAITSTF-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM CCN(CC(=O)NC)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001596204275 1017120268 /nfs/dbraw/zinc/12/02/68/1017120268.db2.gz SWGRNWDZGOZWCI-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM CCN(CC)C(=O)CN1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001596247754 1017124212 /nfs/dbraw/zinc/12/42/12/1017124212.db2.gz VQXFDIPVPOAAKB-RYUDHWBXSA-N -1 0 311.382 -0.282 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1cnn(C)n1 ZINC001596326661 1017124924 /nfs/dbraw/zinc/12/49/24/1017124924.db2.gz JTZZFXLKNGQUSE-VXGBXAGGSA-N -1 0 309.370 -0.136 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)Cn1ccnc1 ZINC001596326025 1017125308 /nfs/dbraw/zinc/12/53/08/1017125308.db2.gz ALMLBCFSGPDGHR-NWDGAFQWSA-N -1 0 322.365 -0.041 20 0 DBADRM CCN(CCC1CC1)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001596321288 1017126318 /nfs/dbraw/zinc/12/63/18/1017126318.db2.gz KXXBWZOXUGCPGM-NWDGAFQWSA-N -1 0 312.366 -0.071 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)Cn1cncn1 ZINC001596327011 1017126387 /nfs/dbraw/zinc/12/63/87/1017126387.db2.gz PSDKIPHJOHTTIA-MNOVXSKESA-N -1 0 323.353 -0.646 20 0 DBADRM CCN(CCC(=O)NC)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001596299888 1017126449 /nfs/dbraw/zinc/12/64/49/1017126449.db2.gz HPIIENGVJMCAJZ-UWVGGRQHSA-N -1 0 313.354 -0.707 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1ncn(C)n1 ZINC001596327181 1017126804 /nfs/dbraw/zinc/12/68/04/1017126804.db2.gz SJOYMDAUARYJGH-ZJUUUORDSA-N -1 0 323.353 -0.496 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001596327381 1017128420 /nfs/dbraw/zinc/12/84/20/1017128420.db2.gz ABGJWAKGIHXJEC-GHMZBOCLSA-N -1 0 300.355 -0.214 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)C(C)(C)C(N)=O ZINC001596333316 1017128805 /nfs/dbraw/zinc/12/88/05/1017128805.db2.gz PQJDYXKNQYPRPR-DTWKUNHWSA-N -1 0 313.354 -0.817 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)Cc1[nH]cnc1C ZINC001596332693 1017128809 /nfs/dbraw/zinc/12/88/09/1017128809.db2.gz KXFTZFCAPWJWFW-WDEREUQCSA-N -1 0 322.365 -0.054 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1ncccn1 ZINC001596333518 1017129100 /nfs/dbraw/zinc/12/91/00/1017129100.db2.gz RMUKLMWEOSANMB-VHSXEESVSA-N -1 0 306.322 -0.224 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)Cn1nccn1 ZINC001596327256 1017129231 /nfs/dbraw/zinc/12/92/31/1017129231.db2.gz VWQCQLAZSFCXQS-GHMZBOCLSA-N -1 0 323.353 -0.646 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1ncnn1CC ZINC001596333390 1017129680 /nfs/dbraw/zinc/12/96/80/1017129680.db2.gz QYYLMFBENNIAQZ-GHMZBOCLSA-N -1 0 309.370 -0.043 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1ccc(=O)[nH]n1 ZINC001596333965 1017130678 /nfs/dbraw/zinc/13/06/78/1017130678.db2.gz XXPYOTHYTCJXTG-BDAKNGLRSA-N -1 0 322.321 -0.519 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1n[nH]cc1F ZINC001596333992 1017130777 /nfs/dbraw/zinc/13/07/77/1017130777.db2.gz YERFTRFRXMHSNK-JGVFFNPUSA-N -1 0 312.301 -0.152 20 0 DBADRM CCN(CCNC(=O)c1cnn(C)c1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596334744 1017131602 /nfs/dbraw/zinc/13/16/02/1017131602.db2.gz CDWWEMBJMFGMMX-MNOVXSKESA-N -1 0 308.338 -0.281 20 0 DBADRM CCN(CCNCc1ncnn1CC)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596339670 1017131991 /nfs/dbraw/zinc/13/19/91/1017131991.db2.gz NYVUYTMNMFWDOT-WDEREUQCSA-N -1 0 309.370 -0.043 20 0 DBADRM CCN(CCS(C)(=O)=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001596347324 1017134210 /nfs/dbraw/zinc/13/42/10/1017134210.db2.gz PNGWFTFBPPYNMG-NXEZZACHSA-N -1 0 322.383 -0.448 20 0 DBADRM CCN(OC)C(=O)CN1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001596380518 1017134252 /nfs/dbraw/zinc/13/42/52/1017134252.db2.gz LOTCZTJENQOELP-RKDXNWHRSA-N -1 0 313.310 -0.476 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CCN2C1=O ZINC001596390669 1017136101 /nfs/dbraw/zinc/13/61/01/1017136101.db2.gz YMLNDCNZPRJFND-IVZWLZJFSA-N -1 0 309.322 -0.408 20 0 DBADRM CCN1C[C@@H](c2nnc(N3CCO[C@@H](C(=O)[O-])C3)n2C)CC1=O ZINC001596402210 1017136110 /nfs/dbraw/zinc/13/61/10/1017136110.db2.gz KQMVGSWHVCWQKH-VHSXEESVSA-N -1 0 323.353 -0.559 20 0 DBADRM CCN1C[C@H](NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CC1=O ZINC001596397483 1017136650 /nfs/dbraw/zinc/13/66/50/1017136650.db2.gz ITYQJAYMIQPQKQ-YMTOWFKASA-N -1 0 324.337 -0.378 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1=O ZINC001596402394 1017136668 /nfs/dbraw/zinc/13/66/68/1017136668.db2.gz MQAJJRVESAXGST-WYOJIJJFSA-N -1 0 302.352 -0.801 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])CC1=O ZINC001596401269 1017136698 /nfs/dbraw/zinc/13/66/98/1017136698.db2.gz ALHQZOYOCRYUBH-UWVGGRQHSA-N -1 0 304.368 -0.220 20 0 DBADRM CCN1CC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001596415883 1017140290 /nfs/dbraw/zinc/14/02/90/1017140290.db2.gz WZFSTBSMYHGGSL-NXEZZACHSA-N -1 0 304.368 -0.819 20 0 DBADRM CCN1CC[C@@H](n2nnnc2N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1=O ZINC001596415821 1017140720 /nfs/dbraw/zinc/14/07/20/1017140720.db2.gz VAQOGSHPIJZZGW-RGOKHQFPSA-N -1 0 306.326 -0.767 20 0 DBADRM CCN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1=O ZINC001596425434 1017143212 /nfs/dbraw/zinc/14/32/12/1017143212.db2.gz FGFRFBZFPRDXCM-UHFFFAOYSA-N -1 0 316.339 -0.649 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001596427872 1017143495 /nfs/dbraw/zinc/14/34/95/1017143495.db2.gz VALRIPNMYMRSJL-UHFFFAOYSA-N -1 0 309.322 -0.128 20 0 DBADRM CCN1CCO[C@H](C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])C1 ZINC001596442648 1017146281 /nfs/dbraw/zinc/14/62/81/1017146281.db2.gz NPSGXUPOURRUNI-UTUOFQBUSA-N -1 0 300.355 -0.154 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001596442935 1017147051 /nfs/dbraw/zinc/14/70/51/1017147051.db2.gz WWKZFIBNCMMJMZ-IJLUTSLNSA-N -1 0 300.355 -0.154 20 0 DBADRM CCNC(=O)CC(=O)NCC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001596456629 1017148755 /nfs/dbraw/zinc/14/87/55/1017148755.db2.gz WKCPALZTUNRGLO-VIFPVBQESA-N -1 0 323.353 -0.570 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001596445064 1017148794 /nfs/dbraw/zinc/14/87/94/1017148794.db2.gz YUPNJZPTHMOQIX-LLVKDONJSA-N -1 0 300.355 -0.153 20 0 DBADRM CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001596456384 1017149400 /nfs/dbraw/zinc/14/94/00/1017149400.db2.gz MTZLCZIOTPCVPM-DTORHVGOSA-N -1 0 321.337 -0.818 20 0 DBADRM CCNC(=O)CC(=O)N(C)CCCNc1ccnc(C(=O)[O-])n1 ZINC001596456545 1017149662 /nfs/dbraw/zinc/14/96/62/1017149662.db2.gz SRSQYFCRMYTXPD-UHFFFAOYSA-N -1 0 323.353 -0.617 20 0 DBADRM CCNC(=O)CC(=O)N(C)[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001596455944 1017149681 /nfs/dbraw/zinc/14/96/81/1017149681.db2.gz CZLRAWGSMVNQNM-SECBINFHSA-N -1 0 323.353 -0.618 20 0 DBADRM CCNC(=O)CN1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])CC2 ZINC001596461774 1017151708 /nfs/dbraw/zinc/15/17/08/1017151708.db2.gz JQPLIRZMKJHSBL-RYUDHWBXSA-N -1 0 323.393 -0.232 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC001596461599 1017152167 /nfs/dbraw/zinc/15/21/67/1017152167.db2.gz FRKPAOVXNGXXMH-UHFFFAOYSA-N -1 0 320.349 -0.326 20 0 DBADRM CCNC(=O)N1CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC001596468579 1017153001 /nfs/dbraw/zinc/15/30/01/1017153001.db2.gz PGVSSQOKWHQFBE-LBPRGKRZSA-N -1 0 314.386 -0.441 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)NCCOCC(=O)[O-])C1 ZINC001596468648 1017153070 /nfs/dbraw/zinc/15/30/70/1017153070.db2.gz SRFLRGSRJOVTHQ-VIFPVBQESA-N -1 0 302.331 -0.809 20 0 DBADRM CCNS(=O)(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001596495832 1017155339 /nfs/dbraw/zinc/15/53/39/1017155339.db2.gz KRHLKRYNGYELSR-UHFFFAOYSA-N -1 0 306.384 -0.078 20 0 DBADRM CCOC(=O)C1(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])CCC1 ZINC001596543606 1017157047 /nfs/dbraw/zinc/15/70/47/1017157047.db2.gz UTXHEYUAABMDFF-QMMMGPOBSA-N -1 0 301.295 -0.148 20 0 DBADRM CCOC(=O)[C@H](CC)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001596526510 1017157871 /nfs/dbraw/zinc/15/78/71/1017157871.db2.gz UTOVPHRCQFGMJE-RKDXNWHRSA-N -1 0 321.351 -0.714 20 0 DBADRM CCOC(=O)[C@@H](CC)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001596526509 1017158005 /nfs/dbraw/zinc/15/80/05/1017158005.db2.gz UTOVPHRCQFGMJE-IUCAKERBSA-N -1 0 321.351 -0.714 20 0 DBADRM CCOC(=O)[C@@H]1CN(Cn2cnc(C(=O)[O-])n2)CC12COC2 ZINC001596585236 1017159854 /nfs/dbraw/zinc/15/98/54/1017159854.db2.gz KNCSSWJINGWEOQ-VIFPVBQESA-N -1 0 310.310 -0.555 20 0 DBADRM CCOC(=O)C1(S(C)(=O)=O)CCN([C@@H](C)C(=O)[O-])CC1 ZINC001596563426 1017160671 /nfs/dbraw/zinc/16/06/71/1017160671.db2.gz PXNNPMYFOZYVMD-VIFPVBQESA-N -1 0 307.368 -0.098 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001596607205 1017162434 /nfs/dbraw/zinc/16/24/34/1017162434.db2.gz HMOVVVIEDYBGGN-LBPRGKRZSA-N -1 0 323.367 -0.260 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001596595140 1017163599 /nfs/dbraw/zinc/16/35/99/1017163599.db2.gz QOKXIVDQOSLJGW-QWRGUYRKSA-N -1 0 310.306 -0.492 20 0 DBADRM CCOC(=O)C[C@H](O)CN1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001596594783 1017163669 /nfs/dbraw/zinc/16/36/69/1017163669.db2.gz MNTNAGGFQQDRRB-TVQRCGJNSA-N -1 0 300.311 -0.394 20 0 DBADRM CCOC(=O)N1CC[C@@H](NC(=O)NCCOCC(=O)[O-])C1 ZINC001596645912 1017165542 /nfs/dbraw/zinc/16/55/42/1017165542.db2.gz FPPFPVQBWWMKCY-SECBINFHSA-N -1 0 303.315 -0.382 20 0 DBADRM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NCCCC(=O)[O-])C1 ZINC001596642842 1017165560 /nfs/dbraw/zinc/16/55/60/1017165560.db2.gz JYCGVALQFPYIIG-NXEZZACHSA-N -1 0 317.342 -0.400 20 0 DBADRM CCOC(=O)NCC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001596659102 1017165564 /nfs/dbraw/zinc/16/55/64/1017165564.db2.gz ISWQFWWOOBQOAX-SFYZADRCSA-N -1 0 302.283 -0.935 20 0 DBADRM CCOC(=O)N1C[C@H](NC(=O)[C@@H](CC)C(=O)[O-])[C@@H](CO)C1 ZINC001596642457 1017165586 /nfs/dbraw/zinc/16/55/86/1017165586.db2.gz BKBWACNHKTWSLP-BBBLOLIVSA-N -1 0 302.327 -0.337 20 0 DBADRM CCOC(=O)NCC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001596659359 1017165969 /nfs/dbraw/zinc/16/59/69/1017165969.db2.gz PRKXXWLGLHEJFD-QMMMGPOBSA-N -1 0 311.298 -0.504 20 0 DBADRM CCOC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001596654855 1017166180 /nfs/dbraw/zinc/16/61/80/1017166180.db2.gz IELVSDVYLWUHCE-VGMNWLOBSA-N -1 0 318.351 -0.124 20 0 DBADRM CCOC(=O)c1ccc(C(=O)NCC(=O)NCC(=O)[O-])nc1C ZINC001596713394 1017167193 /nfs/dbraw/zinc/16/71/93/1017167193.db2.gz ISPVJANHPBUFIP-UHFFFAOYSA-N -1 0 323.305 -0.503 20 0 DBADRM CCOC(=O)c1cc(S(=O)(=O)N[C@H](CF)C(=O)[O-])cn1C ZINC001596712842 1017167428 /nfs/dbraw/zinc/16/74/28/1017167428.db2.gz ZPICKEAIAQQLGM-MRVPVSSYSA-N -1 0 322.314 -0.097 20 0 DBADRM CCOC(=O)c1ccccc1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC001596731885 1017167863 /nfs/dbraw/zinc/16/78/63/1017167863.db2.gz KXFCRDUVHZLIJK-VIFPVBQESA-N -1 0 317.319 -0.413 20 0 DBADRM CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001596665473 1017168601 /nfs/dbraw/zinc/16/86/01/1017168601.db2.gz YLQMUVCJFOKWBA-RYUDHWBXSA-N -1 0 324.333 -0.095 20 0 DBADRM CCO[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])C1CCOCC1 ZINC001596760382 1017168763 /nfs/dbraw/zinc/16/87/63/1017168763.db2.gz DLVWESIOIGWNCV-WOPDTQHZSA-N -1 0 301.339 -0.136 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@H]1OC ZINC001596814393 1017170765 /nfs/dbraw/zinc/17/07/65/1017170765.db2.gz XUWPPXFAFICPMI-LADJIXMOSA-N -1 0 314.338 -0.726 20 0 DBADRM CCO[C@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])[C@H]1CCOC1 ZINC001596767594 1017170833 /nfs/dbraw/zinc/17/08/33/1017170833.db2.gz OQVUORCOOWWICN-WCQGTBRESA-N -1 0 311.338 -0.037 20 0 DBADRM CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001596772544 1017171400 /nfs/dbraw/zinc/17/14/00/1017171400.db2.gz MZOFLSYIJSPTRF-BBBLOLIVSA-N -1 0 324.337 -0.735 20 0 DBADRM CCOCC(=O)N1CCO[C@H](CNc2ncc(C(=O)[O-])cn2)C1 ZINC001596861952 1017173153 /nfs/dbraw/zinc/17/31/53/1017173153.db2.gz QLRJEAHNGMSGKM-LLVKDONJSA-N -1 0 324.337 -0.149 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 ZINC001596868657 1017173833 /nfs/dbraw/zinc/17/38/33/1017173833.db2.gz LOZHGOUYDSUODD-NEPJUHHUSA-N -1 0 324.337 -0.139 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CC(c2cnn(C)c2)=NO1 ZINC001596868659 1017174030 /nfs/dbraw/zinc/17/40/30/1017174030.db2.gz LOZHGOUYDSUODD-NWDGAFQWSA-N -1 0 324.337 -0.139 20 0 DBADRM CCO/C=C/C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001596861118 1017174307 /nfs/dbraw/zinc/17/43/07/1017174307.db2.gz CLJAYEASCWHFQT-FBFNWGNUSA-N -1 0 311.294 -0.858 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001596887068 1017175734 /nfs/dbraw/zinc/17/57/34/1017175734.db2.gz WAYKVQPTOQKBBU-SECBINFHSA-N -1 0 323.367 -0.167 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001596872751 1017175829 /nfs/dbraw/zinc/17/58/29/1017175829.db2.gz OMNNJZGKSRQQHW-GHMZBOCLSA-N -1 0 302.327 -0.818 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)CC(=O)N(C)Cc1cnn(C)c1 ZINC001596876526 1017175907 /nfs/dbraw/zinc/17/59/07/1017175907.db2.gz AJNRRXQWPHHTPW-GFCCVEGCSA-N -1 0 312.370 -0.200 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CN1CCCCC(=O)C1=O ZINC001596872831 1017176651 /nfs/dbraw/zinc/17/66/51/1017176651.db2.gz ROPKFRVVXUPYTC-JTQLQIEISA-N -1 0 314.338 -0.484 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001596887136 1017178120 /nfs/dbraw/zinc/17/81/20/1017178120.db2.gz YBCWRWZHMDEIHR-JTQLQIEISA-N -1 0 313.310 -0.382 20 0 DBADRM CCOCCN1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC001596929254 1017178937 /nfs/dbraw/zinc/17/89/37/1017178937.db2.gz VNHZROFRKYMDRC-UHFFFAOYSA-N -1 0 310.354 -0.238 20 0 DBADRM CCOc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)on1 ZINC001597005396 1017183075 /nfs/dbraw/zinc/18/30/75/1017183075.db2.gz RVQKPQCINNIMSM-RKDXNWHRSA-N -1 0 323.305 -0.265 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccccc1Cn1cncn1 ZINC001597091909 1017186257 /nfs/dbraw/zinc/18/62/57/1017186257.db2.gz BACNIZOHDOCPCP-UHFFFAOYSA-N -1 0 315.293 -0.032 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccn1 ZINC001597225491 1017192721 /nfs/dbraw/zinc/19/27/21/1017192721.db2.gz RCXOKCPJBYMZJX-JTQLQIEISA-N -1 0 301.324 -0.737 20 0 DBADRM CCS(=O)(=O)CC(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001597208266 1017188453 /nfs/dbraw/zinc/18/84/53/1017188453.db2.gz SCOUGIUAWMFSBR-VIFPVBQESA-N -1 0 321.351 -0.570 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001597225222 1017192554 /nfs/dbraw/zinc/19/25/54/1017192554.db2.gz OFQFDEGOWDJCBN-NGZCFLSTSA-N -1 0 304.368 -0.363 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001597297253 1017194999 /nfs/dbraw/zinc/19/49/99/1017194999.db2.gz AUCMDSJOPSDMBZ-GWOFURMSSA-N -1 0 320.349 -0.113 20 0 DBADRM CC(C)=CC(=O)NC[C@@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001497014974 1017195121 /nfs/dbraw/zinc/19/51/21/1017195121.db2.gz GMECTNHDHGRBGM-JTQLQIEISA-N -1 0 323.353 -0.237 20 0 DBADRM CC[C@H](O)CNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001597350642 1017196074 /nfs/dbraw/zinc/19/60/74/1017196074.db2.gz NEXDMUPJCZMHFV-JTQLQIEISA-N -1 0 310.306 -0.024 20 0 DBADRM CCc1[nH]c(C(=O)N[C@]2(C(N)=O)CCOC2)c(C)c1C(=O)[O-] ZINC001597363288 1017198496 /nfs/dbraw/zinc/19/84/96/1017198496.db2.gz FCWVLMLWKPLBEG-CQSZACIVSA-N -1 0 309.322 -0.042 20 0 DBADRM CCc1n[nH]cc1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001597399783 1017198742 /nfs/dbraw/zinc/19/87/42/1017198742.db2.gz NBOQVWSIWDOKDV-UHFFFAOYSA-N -1 0 304.310 -0.276 20 0 DBADRM CCc1n[nH]cc1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597399895 1017198788 /nfs/dbraw/zinc/19/87/88/1017198788.db2.gz PHDRLFDZFKWNNS-IUCAKERBSA-N -1 0 306.322 -0.367 20 0 DBADRM CCc1n[nH]cc1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597399614 1017199329 /nfs/dbraw/zinc/19/93/29/1017199329.db2.gz JWLSZLSMUVTHTR-RKDXNWHRSA-N -1 0 306.322 -0.367 20 0 DBADRM CCc1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n(C)n1 ZINC001597429600 1017199611 /nfs/dbraw/zinc/19/96/11/1017199611.db2.gz LDZNEKCEQBVLFT-WDEREUQCSA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1ccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)c(C(=O)[O-])c1 ZINC001597537456 1017200626 /nfs/dbraw/zinc/20/06/26/1017200626.db2.gz NOCZKGMLXMSBIR-SECBINFHSA-N -1 0 319.317 -0.110 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])n(C)n1 ZINC001597478271 1017200856 /nfs/dbraw/zinc/20/08/56/1017200856.db2.gz YHVPTKMRRZRAMX-CBAPKCEASA-N -1 0 312.301 -0.055 20 0 DBADRM CCc1nc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)c[nH]1 ZINC001597673950 1017203698 /nfs/dbraw/zinc/20/36/98/1017203698.db2.gz NNWQZIBBAZYVKM-UHFFFAOYSA-N -1 0 313.339 -0.268 20 0 DBADRM CCc1nc[nH]c1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001597697423 1017204103 /nfs/dbraw/zinc/20/41/03/1017204103.db2.gz DLFAYAPAEAYTFT-QMMMGPOBSA-N -1 0 301.324 -0.704 20 0 DBADRM CCc1nncn1CCNC(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001597736380 1017206824 /nfs/dbraw/zinc/20/68/24/1017206824.db2.gz UIMNRMNQFBEAGH-ZDUSSCGKSA-N -1 0 311.342 -0.274 20 0 DBADRM CCn1cc(C(=O)C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])cn1 ZINC001597871063 1017208020 /nfs/dbraw/zinc/20/80/20/1017208020.db2.gz YMXRFEWGMOFRSV-JTQLQIEISA-N -1 0 305.294 -0.448 20 0 DBADRM CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001597843823 1017208520 /nfs/dbraw/zinc/20/85/20/1017208520.db2.gz LZEQQFKPMGHCFY-ZJUUUORDSA-N -1 0 323.353 -0.467 20 0 DBADRM CCn1c(CS(C)(=O)=O)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001597853111 1017208532 /nfs/dbraw/zinc/20/85/32/1017208532.db2.gz AEBFATKVJPHGCC-LLVKDONJSA-N -1 0 320.346 -0.154 20 0 DBADRM CCn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1[C@]1(O)CCOC1 ZINC001597858252 1017208556 /nfs/dbraw/zinc/20/85/56/1017208556.db2.gz CBJNQEQBOYNFMD-RNCFNFMXSA-N -1 0 312.326 -0.804 20 0 DBADRM CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H](CF)C(=O)[O-])ccc21 ZINC001597836995 1017208666 /nfs/dbraw/zinc/20/86/66/1017208666.db2.gz UZENGYDOYKHKCV-SECBINFHSA-N -1 0 323.280 -0.138 20 0 DBADRM CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001597842816 1017208908 /nfs/dbraw/zinc/20/89/08/1017208908.db2.gz CFEQONNIIZCQSB-UTLUCORTSA-N -1 0 323.353 -0.073 20 0 DBADRM CCn1c2ccccc2n(CC(=O)N[C@](C)(CO)C(=O)[O-])c1=O ZINC001597835454 1017208937 /nfs/dbraw/zinc/20/89/37/1017208937.db2.gz WPUBXLCHQFRTGS-OAHLLOKOSA-N -1 0 321.333 -0.225 20 0 DBADRM CCn1c(-c2cn(C)nn2)nnc1N1CC[C@](OC)(C(=O)[O-])C1 ZINC001597826869 1017209188 /nfs/dbraw/zinc/20/91/88/1017209188.db2.gz IIZLKEDXCORDMU-CYBMUJFWSA-N -1 0 321.341 -0.227 20 0 DBADRM CCn1cc(CC(=O)N2C[C@H](C(=O)OC)CC[C@H]2C(=O)[O-])nn1 ZINC001597881290 1017210907 /nfs/dbraw/zinc/21/09/07/1017210907.db2.gz WIKFLYSPVIBVRE-KOLCDFICSA-N -1 0 324.337 -0.295 20 0 DBADRM CCn1cc(CC(=O)N2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)[O-])nn1 ZINC001597881287 1017211120 /nfs/dbraw/zinc/21/11/20/1017211120.db2.gz WIKFLYSPVIBVRE-GXSJLCMTSA-N -1 0 324.337 -0.295 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)nn1 ZINC001597887397 1017211399 /nfs/dbraw/zinc/21/13/99/1017211399.db2.gz KDOZRPMWGRRTTH-WAAGHKOSSA-N -1 0 309.326 -0.764 20 0 DBADRM CCn1cc(CN(C)CCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])nn1 ZINC001597887644 1017211416 /nfs/dbraw/zinc/21/14/16/1017211416.db2.gz QQQIIQCYPGQEHO-NWDGAFQWSA-N -1 0 309.370 -0.043 20 0 DBADRM CCn1cc(CN2C(=O)[C@H]3C[C@H](C(=O)[O-])CCN3C2=O)nn1 ZINC001597887228 1017211582 /nfs/dbraw/zinc/21/15/82/1017211582.db2.gz GLPYMIFQJUNAGB-PSASIEDQSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1cc(CC(=O)NCCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001597884140 1017211662 /nfs/dbraw/zinc/21/16/62/1017211662.db2.gz BEUGDHDEWJXOMM-QWRGUYRKSA-N -1 0 323.353 -0.816 20 0 DBADRM CCn1cc(CC(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)cn1 ZINC001597881216 1017211924 /nfs/dbraw/zinc/21/19/24/1017211924.db2.gz VROJLGFECIPVPD-WDEREUQCSA-N -1 0 309.322 -0.222 20 0 DBADRM CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001597876758 1017212165 /nfs/dbraw/zinc/21/21/65/1017212165.db2.gz IFYYSRSNSGJTFJ-ZYUZMQFOSA-N -1 0 321.337 -0.604 20 0 DBADRM CCn1cc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)OC)nn1 ZINC001597881085 1017212177 /nfs/dbraw/zinc/21/21/77/1017212177.db2.gz SVEHDLGYBITVJZ-MWLCHTKSSA-N -1 0 324.337 -0.295 20 0 DBADRM CCn1ccnc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597914961 1017213773 /nfs/dbraw/zinc/21/37/73/1017213773.db2.gz NMXKIXCQQYZMPG-GHMZBOCLSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])n1 ZINC001597907541 1017214349 /nfs/dbraw/zinc/21/43/49/1017214349.db2.gz SVJXVVAODWVKJL-WCBMZHEXSA-N -1 0 310.310 -0.722 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])nc1C ZINC001597898254 1017214619 /nfs/dbraw/zinc/21/46/19/1017214619.db2.gz NXCOJAOHXACEPO-KOLCDFICSA-N -1 0 317.367 -0.190 20 0 DBADRM CCn1cnc(C(=O)N2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001597917064 1017214630 /nfs/dbraw/zinc/21/46/30/1017214630.db2.gz UGTMVGHQRUNTRQ-QWRGUYRKSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1ccnc1C(=O)NCC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597914963 1017214850 /nfs/dbraw/zinc/21/48/50/1017214850.db2.gz NMXKIXCQQYZMPG-QWRGUYRKSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1cncc1S(=O)(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001597922768 1017216594 /nfs/dbraw/zinc/21/65/94/1017216594.db2.gz JQMYRYLXWQQPPV-IUCAKERBSA-N -1 0 303.340 -0.234 20 0 DBADRM CCn1cnc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001597917232 1017217448 /nfs/dbraw/zinc/21/74/48/1017217448.db2.gz YBBNGGOSZWYIFT-NXEZZACHSA-N -1 0 306.322 -0.436 20 0 DBADRM CCn1nc(C)c(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)n1 ZINC001597933968 1017217481 /nfs/dbraw/zinc/21/74/81/1017217481.db2.gz HVXQBLIRGZAFRG-VIFPVBQESA-N -1 0 310.310 -0.161 20 0 DBADRM CCn1ncnc1CN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001597969207 1017218590 /nfs/dbraw/zinc/21/85/90/1017218590.db2.gz DPCUXMZTKIDWAK-QWRGUYRKSA-N -1 0 307.354 -0.337 20 0 DBADRM CCn1ncc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001597950884 1017218862 /nfs/dbraw/zinc/21/88/62/1017218862.db2.gz SJIBONAQNRZLDE-ZJUUUORDSA-N -1 0 321.337 -0.699 20 0 DBADRM CCn1ncn(NC(=O)c2cccc(OCC(=O)[O-])c2)c1=O ZINC001597968523 1017219150 /nfs/dbraw/zinc/21/91/50/1017219150.db2.gz YGZVQBCFGJPFDQ-UHFFFAOYSA-N -1 0 306.278 -0.088 20 0 DBADRM CCn1nccc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597962671 1017219543 /nfs/dbraw/zinc/21/95/43/1017219543.db2.gz QODMUEASYOXYOB-GHMZBOCLSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1ncc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001597951096 1017219563 /nfs/dbraw/zinc/21/95/63/1017219563.db2.gz XASPCPJAIGRPKM-ZJUUUORDSA-N -1 0 323.353 -0.451 20 0 DBADRM CCn1ncc2ncn(CC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)c21 ZINC001597962983 1017219635 /nfs/dbraw/zinc/21/96/35/1017219635.db2.gz QGEVSUOHRFMYKD-NSHDSACASA-N -1 0 321.337 -0.162 20 0 DBADRM CCn1nccc1C(=O)NCCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001597962618 1017219855 /nfs/dbraw/zinc/21/98/55/1017219855.db2.gz NYOQQPZQTFWYMF-ZJUUUORDSA-N -1 0 308.338 -0.140 20 0 DBADRM CCn1ncc(Cl)c1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001597958832 1017220036 /nfs/dbraw/zinc/22/00/36/1017220036.db2.gz WQSWBWONUXDTGS-QMMMGPOBSA-N -1 0 314.729 -0.028 20 0 DBADRM CCn1ncc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1 ZINC001597957037 1017220069 /nfs/dbraw/zinc/22/00/69/1017220069.db2.gz KQGPRXUKYJXJJH-SNVBAGLBSA-N -1 0 309.326 -0.763 20 0 DBADRM CCn1nccc1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001597962565 1017220310 /nfs/dbraw/zinc/22/03/10/1017220310.db2.gz MPGYMYNSXGETDR-UHFFFAOYSA-N -1 0 315.351 -0.335 20 0 DBADRM CCn1nncc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597973627 1017221713 /nfs/dbraw/zinc/22/17/13/1017221713.db2.gz CJCSFNYNQVWVKJ-NXEZZACHSA-N -1 0 321.337 -0.699 20 0 DBADRM CCn1nnc(C)c1CN1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597972639 1017221813 /nfs/dbraw/zinc/22/18/13/1017221813.db2.gz DYKUOHFFNHXRCT-VXGBXAGGSA-N -1 0 321.381 -0.030 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001597975950 1017222458 /nfs/dbraw/zinc/22/24/58/1017222458.db2.gz OKHQBNRZZZMMAH-UHFFFAOYSA-N -1 0 320.309 -0.112 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@@H](O)[C@@H](F)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597982453 1017224988 /nfs/dbraw/zinc/22/49/88/1017224988.db2.gz LJMAEHXGTNDIAJ-QCLAVDOMSA-N -1 0 302.302 -0.761 20 0 DBADRM CN(C(=O)NCCn1cc(C(=O)[O-])nn1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001598050089 1017230501 /nfs/dbraw/zinc/23/05/01/1017230501.db2.gz PSUKQWNSLQBABS-LLVKDONJSA-N -1 0 322.369 -0.146 20 0 DBADRM CN(C(=O)c1ccc(S(N)(=O)=O)nc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598088221 1017230897 /nfs/dbraw/zinc/23/08/97/1017230897.db2.gz GFYQQXKRGWNEQM-DTORHVGOSA-N -1 0 313.335 -0.336 20 0 DBADRM CN(C(=O)NCCC1CS(=O)(=O)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598047800 1017230910 /nfs/dbraw/zinc/23/09/10/1017230910.db2.gz STSQSTXPQOBUSZ-AOOOYVTPSA-N -1 0 304.368 -0.074 20 0 DBADRM CN(C)C(=O)c1ccc(NC(=O)NC[C@H](O)CC(=O)[O-])nc1 ZINC001598156224 1017238048 /nfs/dbraw/zinc/23/80/48/1017238048.db2.gz IMXNQLLJSDTURM-SECBINFHSA-N -1 0 310.310 -0.260 20 0 DBADRM CN(CC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-])S(C)(=O)=O ZINC001598387090 1017259543 /nfs/dbraw/zinc/25/95/43/1017259543.db2.gz MZXPPJWRMAFNBI-JTQLQIEISA-N -1 0 322.383 -0.736 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)Cc1ncc[nH]1 ZINC001598477374 1017273859 /nfs/dbraw/zinc/27/38/59/1017273859.db2.gz MUWDSTMDQSAIPX-QWRGUYRKSA-N -1 0 322.365 -0.020 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H]1CCNC1=O ZINC001598495603 1017289958 /nfs/dbraw/zinc/28/99/58/1017289958.db2.gz KQKVZJDIZPRWFQ-VIFPVBQESA-N -1 0 307.310 -0.819 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1ccncn1 ZINC001598495783 1017290126 /nfs/dbraw/zinc/29/01/26/1017290126.db2.gz OAVNEBPNIAVAHS-UHFFFAOYSA-N -1 0 302.294 -0.429 20 0 DBADRM CN(CCO)C(=O)C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001598496435 1017290149 /nfs/dbraw/zinc/29/01/49/1017290149.db2.gz JADBQJWUJADBDP-UHFFFAOYSA-N -1 0 315.713 -0.500 20 0 DBADRM CN(CCNc1nccn2nnnc12)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598496212 1017290221 /nfs/dbraw/zinc/29/02/21/1017290221.db2.gz ZLTGYOVZMFEMFW-JGVFFNPUSA-N -1 0 305.298 -0.890 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3cccnn32)CC1=O ZINC001598562433 1017305254 /nfs/dbraw/zinc/30/52/54/1017305254.db2.gz KFIXOIPMAROVSO-NSHDSACASA-N -1 0 302.290 -0.298 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)OCCO3)CC1=O ZINC001598561851 1017305471 /nfs/dbraw/zinc/30/54/71/1017305471.db2.gz FMSSIGNDEWMILR-SNVBAGLBSA-N -1 0 320.301 -0.175 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@H](O)CCc2ccccc2)CC1=O ZINC001598562462 1017305514 /nfs/dbraw/zinc/30/55/14/1017305514.db2.gz KPCFLBIUAAWNRN-QWHCGFSZSA-N -1 0 320.345 -0.266 20 0 DBADRM CN1C[C@H](C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)NCC1=O ZINC001598563183 1017305668 /nfs/dbraw/zinc/30/56/68/1017305668.db2.gz POLCRSPVMZARDP-LLVKDONJSA-N -1 0 309.297 -0.179 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cnc3c[nH]nc3c2)CC1=O ZINC001598562965 1017306523 /nfs/dbraw/zinc/30/65/23/1017306523.db2.gz HJKMCHRVEDRKHR-JTQLQIEISA-N -1 0 303.278 -0.675 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)/C=C/c2ccc(C(N)=O)o2)CC1=O ZINC001598564069 1017307328 /nfs/dbraw/zinc/30/73/28/1017307328.db2.gz WLUWKDHATNKFBH-SGRBOOSSSA-N -1 0 321.289 -0.855 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)CCCn2ccccc2=O)CC1=O ZINC001598565390 1017307487 /nfs/dbraw/zinc/30/74/87/1017307487.db2.gz UADSIPDVAKQTJF-NSHDSACASA-N -1 0 321.333 -0.618 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cccc3c2OCO3)CC1=O ZINC001598563960 1017307651 /nfs/dbraw/zinc/30/76/51/1017307651.db2.gz XCVMYXZXCWNDEP-VIFPVBQESA-N -1 0 306.274 -0.217 20 0 DBADRM CN1C[C@@H](C(=O)Nc2ccc(OCC(=O)[O-])cc2)NCC1=O ZINC001598563464 1017307935 /nfs/dbraw/zinc/30/79/35/1017307935.db2.gz QYWHDNZSJQPNAN-NSHDSACASA-N -1 0 307.306 -0.481 20 0 DBADRM CN1C[C@H](CCN2C(=O)[C@@H]3CC[C@@H](C(=O)[O-])CN3C2=O)CC1=O ZINC001598565396 1017308235 /nfs/dbraw/zinc/30/82/35/1017308235.db2.gz DXXFCIGWRAAJPP-MXWKQRLJSA-N -1 0 323.349 -0.018 20 0 DBADRM CN1CCC[C@@H]1c1cc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)n[nH]1 ZINC001598600040 1017325987 /nfs/dbraw/zinc/32/59/87/1017325987.db2.gz ZAJJNSWRVQIQJU-RISCZKNCSA-N -1 0 308.338 -0.162 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)[C@@H]1CCCCN(C)C1=O ZINC001598597701 1017326381 /nfs/dbraw/zinc/32/63/81/1017326381.db2.gz BPAVOYUSZGCIKG-SNVBAGLBSA-N -1 0 321.399 -0.420 20 0 DBADRM CN1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598598161 1017327337 /nfs/dbraw/zinc/32/73/37/1017327337.db2.gz LBBSGUZISIPGJQ-ZJUUUORDSA-N -1 0 314.367 -0.035 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001598603325 1017331609 /nfs/dbraw/zinc/33/16/09/1017331609.db2.gz FLUVLNVFPXDMMI-UHFFFAOYSA-N -1 0 321.333 -0.138 20 0 DBADRM CN1CCC[C@H]1C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001598602622 1017333478 /nfs/dbraw/zinc/33/34/78/1017333478.db2.gz JQAHGOJRCJIGHE-JTQLQIEISA-N -1 0 318.395 -0.381 20 0 DBADRM CN1CCN(C(=O)CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1 ZINC001598604337 1017333535 /nfs/dbraw/zinc/33/35/35/1017333535.db2.gz HSRLWAKXYPZBJL-UHFFFAOYSA-N -1 0 323.393 -0.088 20 0 DBADRM CN1CCN(C(=O)C2(S(C)(=O)=O)CC2)C[C@@H](C(=O)[O-])C1 ZINC001598603664 1017334663 /nfs/dbraw/zinc/33/46/63/1017334663.db2.gz KBVFEEIDXAWKOO-VIFPVBQESA-N -1 0 304.368 -0.962 20 0 DBADRM CN1CCN(C(=O)NCCCS(C)(=O)=O)C[C@H](C(=O)[O-])C1 ZINC001598606925 1017336022 /nfs/dbraw/zinc/33/60/22/1017336022.db2.gz LTLVWSDXYYXHNV-SNVBAGLBSA-N -1 0 321.399 -0.921 20 0 DBADRM CN1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2N)CC1=O ZINC001598613653 1017340289 /nfs/dbraw/zinc/34/02/89/1017340289.db2.gz BBKRYJMZCIZDDP-UHFFFAOYSA-N -1 0 306.322 -0.321 20 0 DBADRM C[N@@H+]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C[C@H](C(=O)[O-])C1 ZINC001598613401 1017340505 /nfs/dbraw/zinc/34/05/05/1017340505.db2.gz SBWAKTBMFRJOAD-SECBINFHSA-N -1 0 319.321 -0.889 20 0 DBADRM CN1CCN(CC(=O)NC(C)(C)c2cc(C(=O)[O-])on2)CC1=O ZINC001598614620 1017340834 /nfs/dbraw/zinc/34/08/34/1017340834.db2.gz AFKPHMSYCTZZDH-UHFFFAOYSA-N -1 0 324.337 -0.502 20 0 DBADRM CN1CCN(CC(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)CC1=O ZINC001598616514 1017346491 /nfs/dbraw/zinc/34/64/91/1017346491.db2.gz UUUXMOXAVFAZNV-CQSZACIVSA-N -1 0 321.333 -0.592 20 0 DBADRM CN1CCN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC1=O ZINC001598622022 1017351061 /nfs/dbraw/zinc/35/10/61/1017351061.db2.gz YJCFUGAEKSDZRZ-NXEZZACHSA-N -1 0 304.368 -0.266 20 0 DBADRM CN1CCN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1=O ZINC001598622024 1017352891 /nfs/dbraw/zinc/35/28/91/1017352891.db2.gz YJCFUGAEKSDZRZ-UWVGGRQHSA-N -1 0 304.368 -0.266 20 0 DBADRM CN(C(=O)[C@@H]1OCCN(C)C1=O)c1ccc(OCC(=O)[O-])cc1 ZINC001598624745 1017354534 /nfs/dbraw/zinc/35/45/34/1017354534.db2.gz HMBCZXHEJSCHLL-CYBMUJFWSA-N -1 0 322.317 -0.030 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)C1 ZINC001598623414 1017354794 /nfs/dbraw/zinc/35/47/94/1017354794.db2.gz GKXOFSXMFUPSPZ-MWLCHTKSSA-N -1 0 310.347 -0.855 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001598624196 1017355287 /nfs/dbraw/zinc/35/52/87/1017355287.db2.gz VLQLTODRVBLMHU-JTQLQIEISA-N -1 0 321.333 -0.230 20 0 DBADRM Cn1c([C@@H]2COCCN2C)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001598625281 1017355382 /nfs/dbraw/zinc/35/53/82/1017355382.db2.gz MBNUMXGHLRYNIZ-UWVGGRQHSA-N -1 0 311.342 -0.892 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)C1 ZINC001598625383 1017355976 /nfs/dbraw/zinc/35/59/76/1017355976.db2.gz KUKSKQUYZYOHJE-OOLXCHQQSA-N -1 0 312.366 -0.154 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)COCc1ocnc1C(=O)[O-] ZINC001598624187 1017356065 /nfs/dbraw/zinc/35/60/65/1017356065.db2.gz VJZMTNROJPCZDF-SECBINFHSA-N -1 0 313.310 -0.664 20 0 DBADRM CN1CCOC[C@@H]1CN1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001598623559 1017356520 /nfs/dbraw/zinc/35/65/20/1017356520.db2.gz JZDYYMNLXLGZDU-GARJFASQSA-N -1 0 311.338 -0.556 20 0 DBADRM CN1CCn2nc(NC(=O)N3CC[C@](O)(C(=O)[O-])C3)cc2C1 ZINC001598627799 1017357163 /nfs/dbraw/zinc/35/71/63/1017357163.db2.gz FULDPFHZWLMCLY-CYBMUJFWSA-N -1 0 309.326 -0.618 20 0 DBADRM CN1CCn2nc(NC(=O)N3CCC(O)(C(=O)[O-])CC3)cc2C1 ZINC001598627924 1017357913 /nfs/dbraw/zinc/35/79/13/1017357913.db2.gz IGPIBAVUVNEOQV-UHFFFAOYSA-N -1 0 323.353 -0.228 20 0 DBADRM CNC(=O)C1(C(=O)NCCNc2ccnc(C(=O)[O-])n2)CCC1 ZINC001598631703 1017358243 /nfs/dbraw/zinc/35/82/43/1017358243.db2.gz HJJGBMVRJYEBQM-UHFFFAOYSA-N -1 0 321.337 -0.959 20 0 DBADRM CNC(=O)C(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001598630035 1017358879 /nfs/dbraw/zinc/35/88/79/1017358879.db2.gz GZORLONRZYRVQN-UHFFFAOYSA-N -1 0 317.367 -0.226 20 0 DBADRM CN(Cc1nnc2n1CCN(C)C2=O)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598627822 1017358904 /nfs/dbraw/zinc/35/89/04/1017358904.db2.gz RMTZEIXKMXPQCA-DTORHVGOSA-N -1 0 321.337 -0.567 20 0 DBADRM CNC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001598631430 1017359361 /nfs/dbraw/zinc/35/93/61/1017359361.db2.gz DVFJEJZFQTVIAQ-JTQLQIEISA-N -1 0 316.335 -0.922 20 0 DBADRM CN(CCNC(=O)[C@H]1CN(C)CCO1)c1ccnc(C(=O)[O-])n1 ZINC001598626363 1017359697 /nfs/dbraw/zinc/35/96/97/1017359697.db2.gz VBXVZTXDIVUUQR-SNVBAGLBSA-N -1 0 323.353 -0.942 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)C1=O ZINC001598626498 1017359882 /nfs/dbraw/zinc/35/98/82/1017359882.db2.gz YOGBMDJGMNLLBT-NHYWBVRUSA-N -1 0 306.318 -0.040 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001598634021 1017361484 /nfs/dbraw/zinc/36/14/84/1017361484.db2.gz VFPYPDYAQAILIQ-SECBINFHSA-N -1 0 307.354 -0.028 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC001598632567 1017361884 /nfs/dbraw/zinc/36/18/84/1017361884.db2.gz HHGDGCZQYBAHOT-PUUHTONNSA-N -1 0 305.338 -0.181 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC001598634315 1017361923 /nfs/dbraw/zinc/36/19/23/1017361923.db2.gz XGVXBCAJSRWISB-QFOLPQNPSA-N -1 0 319.365 -0.078 20 0 DBADRM CNC(=O)[C@H](C)CN(C)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001598634257 1017362033 /nfs/dbraw/zinc/36/20/33/1017362033.db2.gz KCLABDIRLNFHFH-SECBINFHSA-N -1 0 306.384 -0.115 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC001598632570 1017362222 /nfs/dbraw/zinc/36/22/22/1017362222.db2.gz HHGDGCZQYBAHOT-ZYTOWTHASA-N -1 0 305.338 -0.181 20 0 DBADRM CNC(=O)[C@@]1(C(F)(F)F)CCN(CC(=O)NCC(=O)[O-])C1 ZINC001598632603 1017362288 /nfs/dbraw/zinc/36/22/88/1017362288.db2.gz HBMNAUWKCPYQMX-SNVBAGLBSA-N -1 0 311.260 -0.812 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001598631767 1017362401 /nfs/dbraw/zinc/36/24/01/1017362401.db2.gz BAXMNSFSCLBKFP-YMTOWFKASA-N -1 0 307.354 -0.076 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001598641391 1017362974 /nfs/dbraw/zinc/36/29/74/1017362974.db2.gz DKZJVIBJUQBSCB-UHFFFAOYSA-N -1 0 311.269 -0.333 20 0 DBADRM CNC(=O)CCCC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001598640569 1017363674 /nfs/dbraw/zinc/36/36/74/1017363674.db2.gz JWFQZBXDMXFKHV-DTWKUNHWSA-N -1 0 300.311 -0.765 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598639739 1017363727 /nfs/dbraw/zinc/36/37/27/1017363727.db2.gz VGOYGTAUEWQKNJ-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CNC(=O)CCCC(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001598640809 1017364217 /nfs/dbraw/zinc/36/42/17/1017364217.db2.gz RTNDAKNTPVNKKU-VIFPVBQESA-N -1 0 323.353 -0.570 20 0 DBADRM CNC(=O)[C@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001598638499 1017364491 /nfs/dbraw/zinc/36/44/91/1017364491.db2.gz GPTYGTKFOGBHRY-VIFPVBQESA-N -1 0 306.322 -0.214 20 0 DBADRM CNC(=O)[C@@H]1CN(Cn2nc(C(=O)[O-])c(Cl)c2C)CCO1 ZINC001598637588 1017364684 /nfs/dbraw/zinc/36/46/84/1017364684.db2.gz NNPLNPXMXXSXLM-QMMMGPOBSA-N -1 0 316.745 -0.053 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001598643694 1017365960 /nfs/dbraw/zinc/36/59/60/1017365960.db2.gz UBEUWWKXZCUQHR-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM CNC(=O)CN(CCOc1cccc(C(=O)[O-])c1)CC(=O)NC ZINC001598642499 1017366324 /nfs/dbraw/zinc/36/63/24/1017366324.db2.gz SGNQOWURTJIKCE-UHFFFAOYSA-N -1 0 323.349 -0.442 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC001598645557 1017366769 /nfs/dbraw/zinc/36/67/69/1017366769.db2.gz YOWHVRVJJDIBFL-UHFFFAOYSA-N -1 0 311.363 -0.050 20 0 DBADRM CNC(=O)CNC(=O)c1cccc(NC(=O)NCCC(=O)[O-])c1 ZINC001598644880 1017366911 /nfs/dbraw/zinc/36/69/11/1017366911.db2.gz NDMTUPNEJMUZHQ-UHFFFAOYSA-N -1 0 322.321 -0.241 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001598643437 1017367027 /nfs/dbraw/zinc/36/70/27/1017367027.db2.gz ZIFCOPWOZMFQDN-SNVBAGLBSA-N -1 0 313.354 -0.802 20 0 DBADRM CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)CNC(C)=O ZINC001598645402 1017367134 /nfs/dbraw/zinc/36/71/34/1017367134.db2.gz FXNYTUMUPUQMRY-UHFFFAOYSA-N -1 0 323.305 -0.416 20 0 DBADRM CNC(=O)CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001598645241 1017367226 /nfs/dbraw/zinc/36/72/26/1017367226.db2.gz UYEIIXYMODSVSJ-UHFFFAOYSA-N -1 0 308.262 -0.313 20 0 DBADRM CNC(=O)NCC(=O)NC[C@@H](C)N(C)c1ncc(C(=O)[O-])cn1 ZINC001598651510 1017368194 /nfs/dbraw/zinc/36/81/94/1017368194.db2.gz JSUKVVJISXNTBW-MRVPVSSYSA-N -1 0 324.341 -0.955 20 0 DBADRM CNC(=O)NCCNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001598650843 1017369181 /nfs/dbraw/zinc/36/91/81/1017369181.db2.gz OQWBHCQLXBVPSB-UHFFFAOYSA-N -1 0 301.324 -0.408 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])o2)CCO1 ZINC001598650384 1017369788 /nfs/dbraw/zinc/36/97/88/1017369788.db2.gz AAAPHZAAORAYOK-MRVPVSSYSA-N -1 0 311.294 -0.252 20 0 DBADRM CNC(=O)CS(=O)(=O)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001598647676 1017369885 /nfs/dbraw/zinc/36/98/85/1017369885.db2.gz OWKCIOYIOSJLFC-UHFFFAOYSA-N -1 0 314.319 -0.516 20 0 DBADRM CNC(=O)N[C@@H]1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC001598652000 1017369934 /nfs/dbraw/zinc/36/99/34/1017369934.db2.gz GCOZNLURTODNAQ-SECBINFHSA-N -1 0 319.383 -0.426 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)c2ccnc(C(=O)[O-])c2)CCO1 ZINC001598650980 1017369975 /nfs/dbraw/zinc/36/99/75/1017369975.db2.gz GYJJQUFAKWZTFZ-SNVBAGLBSA-N -1 0 322.321 -0.450 20 0 DBADRM CNC(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001598651970 1017370163 /nfs/dbraw/zinc/37/01/63/1017370163.db2.gz NQLWICQFLDLAPU-SFYZADRCSA-N -1 0 324.341 -0.591 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)C[C@H](C)CC(=O)[O-])CCO1 ZINC001598651611 1017370257 /nfs/dbraw/zinc/37/02/57/1017370257.db2.gz KFYDDKSZLDKXNQ-VHSXEESVSA-N -1 0 301.343 -0.356 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1c1nc(C)cc(C(=O)[O-])n1 ZINC001598653642 1017371480 /nfs/dbraw/zinc/37/14/80/1017371480.db2.gz QDJPWHVLXCWJRL-SECBINFHSA-N -1 0 309.326 -0.383 20 0 DBADRM CNC(=O)N[C@@H]1CCN(S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001598653652 1017371796 /nfs/dbraw/zinc/37/17/96/1017371796.db2.gz XGOOTRHQTXRNHG-SSDOTTSWSA-N -1 0 317.323 -0.330 20 0 DBADRM CNC(=O)NCC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001598652480 1017371946 /nfs/dbraw/zinc/37/19/46/1017371946.db2.gz RSBPYKSSVZPQRQ-UHFFFAOYSA-N -1 0 322.321 -0.241 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001598655575 1017373004 /nfs/dbraw/zinc/37/30/04/1017373004.db2.gz CTFXOMNBLYGADK-QMMMGPOBSA-N -1 0 307.306 -0.497 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c1 ZINC001598659736 1017373656 /nfs/dbraw/zinc/37/36/56/1017373656.db2.gz SPSZMNXZVASCNA-NSHDSACASA-N -1 0 319.317 -0.586 20 0 DBADRM CNC(=O)c1ccc(CS(=O)(=O)N[C@H](CF)C(=O)[O-])cc1 ZINC001598657938 1017373963 /nfs/dbraw/zinc/37/39/63/1017373963.db2.gz MWRJIXHGZDYNFC-SNVBAGLBSA-N -1 0 318.326 -0.112 20 0 DBADRM CNC(=O)c1ccc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)cn1 ZINC001598656571 1017374037 /nfs/dbraw/zinc/37/40/37/1017374037.db2.gz LFCRQMVOIXMJJL-AWEZNQCLSA-N -1 0 307.306 -0.338 20 0 DBADRM CNC(=O)c1cccc(C(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC001598658811 1017374264 /nfs/dbraw/zinc/37/42/64/1017374264.db2.gz GRLKIFCFAQMYFS-UHFFFAOYSA-N -1 0 317.305 -0.234 20 0 DBADRM CNC(=O)c1cccc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])n1 ZINC001598659568 1017375068 /nfs/dbraw/zinc/37/50/68/1017375068.db2.gz SDNXIOWAGLKCPY-SSDOTTSWSA-N -1 0 309.278 -0.813 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001598661938 1017375129 /nfs/dbraw/zinc/37/51/29/1017375129.db2.gz POQAISXGZFIKGS-RQJHMYQMSA-N -1 0 310.314 -0.071 20 0 DBADRM CN[C@H](C(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F)c1cnn(C)c1 ZINC001598661355 1017375787 /nfs/dbraw/zinc/37/57/87/1017375787.db2.gz CYCGAWKVKCGESV-HLTSFMKQSA-N -1 0 302.281 -0.237 20 0 DBADRM CNC(=O)c1cccc(C(=O)O[C@H](CC(=O)[O-])C(=O)OC)n1 ZINC001598659511 1017376137 /nfs/dbraw/zinc/37/61/37/1017376137.db2.gz QYVNGHHSUXPHQR-SECBINFHSA-N -1 0 310.262 -0.386 20 0 DBADRM CNC(=O)c1cccc(C(=O)NCCC(=O)NCCC(=O)[O-])c1 ZINC001598658734 1017376176 /nfs/dbraw/zinc/37/61/76/1017376176.db2.gz DARVURKGTDOYKD-UHFFFAOYSA-N -1 0 321.333 -0.243 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001598669833 1017379022 /nfs/dbraw/zinc/37/90/22/1017379022.db2.gz SGKFHTQCLLFTMG-VIFPVBQESA-N -1 0 313.335 -0.457 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1c1ncc(C(=O)[O-])cn1 ZINC001598670453 1017379904 /nfs/dbraw/zinc/37/99/04/1017379904.db2.gz FFNIMEVDHDYQPF-VIFPVBQESA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(c2cc(C(=O)[O-])ncn2)C1 ZINC001598670000 1017380396 /nfs/dbraw/zinc/38/03/96/1017380396.db2.gz VSCMEDGBVRPWGL-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001598669840 1017380369 /nfs/dbraw/zinc/38/03/69/1017380369.db2.gz SJXIZVCQWGGUGE-SNVBAGLBSA-N -1 0 302.308 -0.817 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1 ZINC001598668734 1017381147 /nfs/dbraw/zinc/38/11/47/1017381147.db2.gz AXBGKCYFYYXNKW-UTINFBMNSA-N -1 0 320.367 -0.985 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001598671889 1017381639 /nfs/dbraw/zinc/38/16/39/1017381639.db2.gz VNDCKLKCVNVPBT-SNVBAGLBSA-N -1 0 307.372 -0.810 20 0 DBADRM CNS(=O)(=O)CCNC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598672465 1017382286 /nfs/dbraw/zinc/38/22/86/1017382286.db2.gz SXJNJYLVKIIZER-UHFFFAOYSA-N -1 0 302.312 -0.550 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001598671652 1017383511 /nfs/dbraw/zinc/38/35/11/1017383511.db2.gz SHVPFSLXVADWOG-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(c2cc(C(=O)[O-])ncn2)C1 ZINC001598670788 1017382594 /nfs/dbraw/zinc/38/25/94/1017382594.db2.gz IQWZRZXIGSPLLJ-SECBINFHSA-N -1 0 314.367 -0.060 20 0 DBADRM CNS(=O)(=O)CCN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598672450 1017382746 /nfs/dbraw/zinc/38/27/46/1017382746.db2.gz SMGURYSCXQNZIL-SECBINFHSA-N -1 0 317.371 -0.838 20 0 DBADRM CNS(=O)(=O)NCC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001598671011 1017383486 /nfs/dbraw/zinc/38/34/86/1017383486.db2.gz LWYWSLCEUWMXEY-UHFFFAOYSA-N -1 0 313.335 -0.719 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)N2CC[C@H]2C(=O)[O-])c1 ZINC001598677145 1017385105 /nfs/dbraw/zinc/38/51/05/1017385105.db2.gz HSJRDAJHKHGTRA-ZETCQYMHSA-N -1 0 304.349 -0.045 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)O[C@H](COC)C(=O)[O-])cc1 ZINC001598672958 1017384895 /nfs/dbraw/zinc/38/48/95/1017384895.db2.gz NNSPDKNIKWRMLQ-SNVBAGLBSA-N -1 0 317.319 -0.149 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NOCCCC(=O)[O-])cn1 ZINC001598672972 1017385693 /nfs/dbraw/zinc/38/56/93/1017385693.db2.gz ONDLUFQHGDPPFL-UHFFFAOYSA-N -1 0 317.323 -0.484 20 0 DBADRM CNS(=O)(=O)c1ccc(CC(=O)NC2(C(=O)[O-])CC2)cc1 ZINC001598674519 1017385727 /nfs/dbraw/zinc/38/57/27/1017385727.db2.gz UPDGMNKAAZDWPB-UHFFFAOYSA-N -1 0 312.347 -0.129 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)N[C@](C)(CO)C(=O)[O-])c1 ZINC001598677178 1017385742 /nfs/dbraw/zinc/38/57/42/1017385742.db2.gz ITQJQDCYGXLKAF-SNVBAGLBSA-N -1 0 322.364 -0.778 20 0 DBADRM CNc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])nc1 ZINC001598678003 1017385828 /nfs/dbraw/zinc/38/58/28/1017385828.db2.gz LFPGEHFOLKEAEV-SNVBAGLBSA-N -1 0 313.335 -0.553 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001598687940 1017387444 /nfs/dbraw/zinc/38/74/44/1017387444.db2.gz LEFJRSWTVLVXBA-VGMNWLOBSA-N -1 0 309.340 -0.701 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-] ZINC001598684044 1017387596 /nfs/dbraw/zinc/38/75/96/1017387596.db2.gz GTVBOEVQLXBHIH-ZETCQYMHSA-N -1 0 311.356 -0.671 20 0 DBADRM CNc1nnc(CC(=O)N[C@]2(CC(=O)[O-])CCOC2)s1 ZINC001598682329 1017388094 /nfs/dbraw/zinc/38/80/94/1017388094.db2.gz FNAFUMWZFSYJAU-NSHDSACASA-N -1 0 300.340 -0.128 20 0 DBADRM COC(=O)C(C)(C)n1cc(NC(=O)[C@H]([NH3+])CCC(=O)[O-])cn1 ZINC001598685350 1017388438 /nfs/dbraw/zinc/38/84/38/1017388438.db2.gz FNEHCBNKRYHEIN-SECBINFHSA-N -1 0 312.326 -0.078 20 0 DBADRM COC(=O)C(C)(C)N1CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC001598684151 1017388778 /nfs/dbraw/zinc/38/87/78/1017388778.db2.gz PCMWVWMAGOWFLH-UHFFFAOYSA-N -1 0 315.370 -0.854 20 0 DBADRM COC(=O)C(C)(C)NC(=O)COCC(=O)NC(C)(C)C(=O)[O-] ZINC001598685561 1017388791 /nfs/dbraw/zinc/38/87/91/1017388791.db2.gz FHXLINUOSKAWQH-UHFFFAOYSA-N -1 0 318.326 -0.950 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001598689494 1017389309 /nfs/dbraw/zinc/38/93/09/1017389309.db2.gz ZDLRYIORJGAVIH-KWQFWETISA-N -1 0 309.340 -0.794 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)Cn1nnc2c1CCCC2 ZINC001598693514 1017389833 /nfs/dbraw/zinc/38/98/33/1017389833.db2.gz NRTRKXRJVGHVSE-VIFPVBQESA-N -1 0 310.310 -0.711 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(OCC(N)=O)cc1 ZINC001598693281 1017390325 /nfs/dbraw/zinc/39/03/25/1017390325.db2.gz QVVNDPQDCREXAX-SNVBAGLBSA-N -1 0 324.289 -0.703 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC001598693467 1017390503 /nfs/dbraw/zinc/39/05/03/1017390503.db2.gz NNMZODDKRUPKLS-JGVFFNPUSA-N -1 0 312.278 -0.470 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CSc1nncs1 ZINC001598693835 1017391322 /nfs/dbraw/zinc/39/13/22/1017391322.db2.gz QCNYSABMZWKUNE-RXMQYKEDSA-N -1 0 305.337 -0.237 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H]1CCCc2nn(C)cc21 ZINC001598694740 1017391430 /nfs/dbraw/zinc/39/14/30/1017391430.db2.gz ODMFQZGHFSBSBU-GZMMTYOYSA-N -1 0 309.322 -0.028 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)c1ccccc1 ZINC001598694842 1017391609 /nfs/dbraw/zinc/39/16/09/1017391609.db2.gz WNDCNYMJZJNWJR-SNVBAGLBSA-N -1 0 308.290 -0.451 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)C(=O)c1c(C)nn(C)c1C ZINC001598690984 1017391657 /nfs/dbraw/zinc/39/16/57/1017391657.db2.gz DJQKSLVUARNMMJ-QMMMGPOBSA-N -1 0 311.294 -0.648 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001598697227 1017392676 /nfs/dbraw/zinc/39/26/76/1017392676.db2.gz FKMQSGIWJZDORY-VWYCJHECSA-N -1 0 319.379 -0.241 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001598699768 1017393028 /nfs/dbraw/zinc/39/30/28/1017393028.db2.gz ZQLQZJUJNNBZCE-JTQLQIEISA-N -1 0 324.289 -0.186 20 0 DBADRM COC(=O)[C@H](CCF)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598699077 1017393319 /nfs/dbraw/zinc/39/33/19/1017393319.db2.gz OBLDNLBZHRUBTF-IUCAKERBSA-N -1 0 318.301 -0.673 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CC1CCN(OC)CC1 ZINC001598695498 1017393671 /nfs/dbraw/zinc/39/36/71/1017393671.db2.gz VFNGXSALAWSJRP-JTQLQIEISA-N -1 0 302.327 -0.218 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)C[C@H]1CCC1(F)F ZINC001598695453 1017394014 /nfs/dbraw/zinc/39/40/14/1017394014.db2.gz VEDSJZZVRPLFEE-RQJHMYQMSA-N -1 0 315.294 -0.033 20 0 DBADRM COC(=O)[C@@H](CF)NC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001598699751 1017394359 /nfs/dbraw/zinc/39/43/59/1017394359.db2.gz SIBFAZAKHOVKBL-SECBINFHSA-N -1 0 301.274 -0.011 20 0 DBADRM CCN(CCNCc1nc(=O)n(C)[nH]1)C(=O)c1ccc(=O)[nH]c1 ZINC001497493164 1017394819 /nfs/dbraw/zinc/39/48/19/1017394819.db2.gz TUNLLGPOKOGEMH-UHFFFAOYSA-N -1 0 320.353 -0.539 20 0 DBADRM COC(=O)[C@H](CCF)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001598700114 1017395245 /nfs/dbraw/zinc/39/52/45/1017395245.db2.gz VNJIMUAJIVCYIX-ZETCQYMHSA-N -1 0 300.308 -0.872 20 0 DBADRM COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001598709934 1017395390 /nfs/dbraw/zinc/39/53/90/1017395390.db2.gz BOJYNMWRNNVBJW-SSDOTTSWSA-N -1 0 311.356 -0.671 20 0 DBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001598701332 1017395959 /nfs/dbraw/zinc/39/59/59/1017395959.db2.gz FMKPYKVFDQIWKV-AXFHLTTASA-N -1 0 324.337 -0.173 20 0 DBADRM COC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001598703859 1017396531 /nfs/dbraw/zinc/39/65/31/1017396531.db2.gz JJYFOYHTTIFDJI-GRYCIOLGSA-N -1 0 322.317 -0.086 20 0 DBADRM COC(=O)[C@@H](NCCc1cn(CC(=O)[O-])nn1)c1ccnn1C ZINC001598707726 1017396951 /nfs/dbraw/zinc/39/69/51/1017396951.db2.gz PLHYPFJEWMYXLS-LBPRGKRZSA-N -1 0 322.325 -0.857 20 0 DBADRM COC(=O)[C@H](NCC(=O)NCCC(=O)[O-])c1cccc(O)c1 ZINC001598708984 1017396988 /nfs/dbraw/zinc/39/69/88/1017396988.db2.gz QWBLNVFGDZFMQJ-CYBMUJFWSA-N -1 0 310.306 -0.213 20 0 DBADRM COC(=O)C1(O)CN(C(=O)Nc2cnc(C)c(C(=O)[O-])c2)C1 ZINC001598724296 1017398452 /nfs/dbraw/zinc/39/84/52/1017398452.db2.gz KVWXNAJQYXSQAJ-UHFFFAOYSA-N -1 0 309.278 -0.160 20 0 DBADRM COC(=O)[C@]1(N2CCN(C/C=C(/C)C(=O)[O-])CC2)CCOC1 ZINC001598721988 1017398665 /nfs/dbraw/zinc/39/86/65/1017398665.db2.gz NRMWHXZAMUFDCP-ACQQSFGKSA-N -1 0 312.366 -0.033 20 0 DBADRM COC(=O)C1(C(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)CC1 ZINC001598719337 1017398832 /nfs/dbraw/zinc/39/88/32/1017398832.db2.gz XHKSOXOBMOZXSN-VIFPVBQESA-N -1 0 313.306 -0.052 20 0 DBADRM COC(=O)[C@@]1(F)CCN([C@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001598721299 1017399177 /nfs/dbraw/zinc/39/91/77/1017399177.db2.gz TYUCEMHEZZHSKC-TVQRCGJNSA-N -1 0 302.302 -0.351 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)CC1 ZINC001598720114 1017399917 /nfs/dbraw/zinc/39/99/17/1017399917.db2.gz QLTZHRJPNKYIOR-RGOKHQFPSA-N -1 0 317.363 -0.032 20 0 DBADRM COC(=O)[C@@]1(CNS(=O)(=O)CCCC(=O)[O-])CCOC1 ZINC001598726574 1017401178 /nfs/dbraw/zinc/40/11/78/1017401178.db2.gz FSIBOBQFKICRSR-LLVKDONJSA-N -1 0 309.340 -0.650 20 0 DBADRM COC(=O)[C@]1(OC)CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC001598726396 1017401256 /nfs/dbraw/zinc/40/12/56/1017401256.db2.gz SHKXNDQIGSEFKY-KCJUWKMLSA-N -1 0 309.340 -0.699 20 0 DBADRM COC(=O)C1(NC(=O)c2cnn(C)n2)CCC(C(=O)[O-])CC1 ZINC001598725292 1017401329 /nfs/dbraw/zinc/40/13/29/1017401329.db2.gz IZWNTLXZZQSZCI-UHFFFAOYSA-N -1 0 310.310 -0.269 20 0 DBADRM COC(=O)C12CC(C(=O)OCCc3cn(CC(=O)[O-])nn3)(C1)C2 ZINC001598727201 1017401414 /nfs/dbraw/zinc/40/14/14/1017401414.db2.gz OOVWPBJOBBBPPS-UHFFFAOYSA-N -1 0 323.305 -0.208 20 0 DBADRM COC(=O)C1(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)CCC1 ZINC001598726492 1017402361 /nfs/dbraw/zinc/40/23/61/1017402361.db2.gz VVGSQLXDCSNSEY-SNVBAGLBSA-N -1 0 323.392 -0.038 20 0 DBADRM COC(=O)[C@@H]1[C@H](O)CCCN1S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001598745046 1017403856 /nfs/dbraw/zinc/40/38/56/1017403856.db2.gz RFFUPHCBGZAZNR-HLTSFMKQSA-N -1 0 309.340 -0.965 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cn1ccccc1=O ZINC001598742352 1017403776 /nfs/dbraw/zinc/40/37/76/1017403776.db2.gz AJNSXSICIAELIR-GHMZBOCLSA-N -1 0 322.317 -0.287 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cc1cncn1C ZINC001598744842 1017403836 /nfs/dbraw/zinc/40/38/36/1017403836.db2.gz INJRCNFOJOCMBG-KOLCDFICSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H]1NC(=O)O[C@@H]1C ZINC001598750190 1017405037 /nfs/dbraw/zinc/40/50/37/1017405037.db2.gz PUUICHKKQYUICT-HXFLIBJXSA-N -1 0 314.294 -0.652 20 0 DBADRM COC(=O)[C@H]1[C@@H](O)CCCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598745173 1017405071 /nfs/dbraw/zinc/40/50/71/1017405071.db2.gz RSBUFKGZHDUGGR-DTWKUNHWSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cccn(C)c1=O ZINC001598750096 1017405458 /nfs/dbraw/zinc/40/54/58/1017405458.db2.gz IPJBUMURQHUSOU-ONGXEEELSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)Cc1ccn(C)n1 ZINC001598747395 1017405468 /nfs/dbraw/zinc/40/54/68/1017405468.db2.gz YSDSGLLZQFQBFM-GXSJLCMTSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cccc[n+]1[O-] ZINC001598749336 1017405673 /nfs/dbraw/zinc/40/56/73/1017405673.db2.gz DZUHQCMCKZAUKM-ONGXEEELSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1CN(C(C)=O)C1 ZINC001598749831 1017405790 /nfs/dbraw/zinc/40/57/90/1017405790.db2.gz NAEJLWYVFZCMQE-MWLCHTKSSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@@H](C)S(C)(=O)=O ZINC001598762058 1017406954 /nfs/dbraw/zinc/40/69/54/1017406954.db2.gz HCFAHPMWFARFBB-HLTSFMKQSA-N -1 0 321.351 -0.716 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C[C@H]1CN(C)C(=O)O1 ZINC001598754667 1017407209 /nfs/dbraw/zinc/40/72/09/1017407209.db2.gz YHYXXXKMLZYBNB-AEJSXWLSSA-N -1 0 300.311 -0.225 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)Nc2ccc(C(=O)[O-])nn2)C1 ZINC001598759518 1017407280 /nfs/dbraw/zinc/40/72/80/1017407280.db2.gz XRGBARBELPRQBI-YUMQZZPRSA-N -1 0 324.293 -0.438 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC(=O)CNC(C)=O)C[C@@H](C(=O)[O-])C1 ZINC001598755802 1017407462 /nfs/dbraw/zinc/40/74/62/1017407462.db2.gz LJABQYPECQFKQG-GUBZILKMSA-N -1 0 301.295 -0.292 20 0 DBADRM COC(=O)[C@H]1C[C@@H](OC(=O)CCSCC(=O)[O-])CN1C ZINC001598755375 1017407751 /nfs/dbraw/zinc/40/77/51/1017407751.db2.gz KLTGWSHHLXKVLG-RKDXNWHRSA-N -1 0 305.352 -0.017 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2CC(=O)NCC(=O)[O-])O1 ZINC001598756937 1017407807 /nfs/dbraw/zinc/40/78/07/1017407807.db2.gz BDYFDSBNKXEEES-ZDCRXTMVSA-N -1 0 314.338 -0.629 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001598757688 1017407908 /nfs/dbraw/zinc/40/79/08/1017407908.db2.gz QAAQYWNULXFCQM-VHSXEESVSA-N -1 0 308.290 -0.224 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1Cc1noc(CCCC(=O)[O-])n1 ZINC001598757989 1017408307 /nfs/dbraw/zinc/40/83/07/1017408307.db2.gz RJQHBPJZBIGNIS-RKDXNWHRSA-N -1 0 313.310 -0.415 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCc1cn(C)nn1 ZINC001598752942 1017408328 /nfs/dbraw/zinc/40/83/28/1017408328.db2.gz ZFBBOXIPWNOBRF-KOLCDFICSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1CCC(=O)NC1 ZINC001598763928 1017408909 /nfs/dbraw/zinc/40/89/09/1017408909.db2.gz WUPQLEHEOJIZAA-GUBZILKMSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cn[nH]c(=O)c1 ZINC001598765315 1017409958 /nfs/dbraw/zinc/40/99/58/1017409958.db2.gz BBBHAXKVDVOZCW-CBAPKCEASA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cnn(C)c1N ZINC001598765268 1017409978 /nfs/dbraw/zinc/40/99/78/1017409978.db2.gz ALIJTAASZCKJRJ-IONNQARKSA-N -1 0 310.310 -0.519 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccn(C)c(=O)c1 ZINC001598765632 1017410210 /nfs/dbraw/zinc/41/02/10/1017410210.db2.gz AYGLAWTXVKOWFQ-QWRGUYRKSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@@H]1CCC(=O)NC1 ZINC001598763927 1017410227 /nfs/dbraw/zinc/41/02/27/1017410227.db2.gz WUPQLEHEOJIZAA-BBBLOLIVSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(OC)nn1 ZINC001598773169 1017411690 /nfs/dbraw/zinc/41/16/90/1017411690.db2.gz YXVBDRZOOSQSQA-WCBMZHEXSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1ccn(C)n1 ZINC001598771084 1017412165 /nfs/dbraw/zinc/41/21/65/1017412165.db2.gz YGHKMPIDQMLKGC-KOLCDFICSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CSCC(N)=O ZINC001598771027 1017412205 /nfs/dbraw/zinc/41/22/05/1017412205.db2.gz XOLJWWJUJUMBIJ-SFYZADRCSA-N -1 0 318.351 -0.930 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CN1CCOC1=O ZINC001598769384 1017412267 /nfs/dbraw/zinc/41/22/67/1017412267.db2.gz UOUWAXWTSNAVOJ-RKDXNWHRSA-N -1 0 314.294 -0.697 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001598768692 1017412391 /nfs/dbraw/zinc/41/23/91/1017412391.db2.gz RQZPTVDHSBXBQD-GMSGAONNSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001598769810 1017412455 /nfs/dbraw/zinc/41/24/55/1017412455.db2.gz DYZUSCSFZJBLFR-OIBJUYFYSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001598768427 1017412741 /nfs/dbraw/zinc/41/27/41/1017412741.db2.gz AKZRUGHWNPEEOF-UTINFBMNSA-N -1 0 313.306 -0.340 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)CCCn2cncn2)C1 ZINC001598775976 1017415287 /nfs/dbraw/zinc/41/52/87/1017415287.db2.gz NZYKRDDWEGAGEO-WDEREUQCSA-N -1 0 324.337 -0.077 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N2CC(C)(C(=O)[O-])C2)C1=O ZINC001598786812 1017416094 /nfs/dbraw/zinc/41/60/94/1017416094.db2.gz FPOLDBOBKKJIKP-VIFPVBQESA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)COCC(=O)[O-])C1 ZINC001598785652 1017416113 /nfs/dbraw/zinc/41/61/13/1017416113.db2.gz QTGIDBSRZGKEHC-IUCAKERBSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCOC(=O)N2)C1 ZINC001598779913 1017417010 /nfs/dbraw/zinc/41/70/10/1017417010.db2.gz JALNQXRXVIJJQF-HRDYMLBCSA-N -1 0 314.294 -0.650 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C\Cn2cncn2)C1 ZINC001598780774 1017417115 /nfs/dbraw/zinc/41/71/15/1017417115.db2.gz LAVZRWVZRUGQQS-LVUHIJSRSA-N -1 0 322.321 -0.301 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598783252 1017417521 /nfs/dbraw/zinc/41/75/21/1017417521.db2.gz BOHIJIUTZGTPPE-UTINFBMNSA-N -1 0 313.306 -0.340 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)OC/C=C(/C)C(=O)[O-])C1=O ZINC001598788640 1017418843 /nfs/dbraw/zinc/41/88/43/1017418843.db2.gz GRQYQOJIKDUOGF-BSKOKIOFSA-N -1 0 313.306 -0.028 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCc2cn(C)nn2)[C@@H](C(=O)[O-])C1 ZINC001598789616 1017418856 /nfs/dbraw/zinc/41/88/56/1017418856.db2.gz AOQVNDLYTHVLTC-GXSJLCMTSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)C1 ZINC001598789659 1017418917 /nfs/dbraw/zinc/41/89/17/1017418917.db2.gz MRVOEZNXIURCHU-AEJSXWLSSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCc2cn(C)nn2)[C@H](C(=O)[O-])C1 ZINC001598789623 1017419203 /nfs/dbraw/zinc/41/92/03/1017419203.db2.gz AOQVNDLYTHVLTC-ONGXEEELSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[C@@H]1C ZINC001598788337 1017419326 /nfs/dbraw/zinc/41/93/26/1017419326.db2.gz DRJXPWDYJCNFLI-DOLQZWNJSA-N -1 0 312.322 -0.624 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCCCC(N)=O)[C@@H](C(=O)[O-])C1 ZINC001598793454 1017419447 /nfs/dbraw/zinc/41/94/47/1017419447.db2.gz QDZVUZIAGJHILR-NXEZZACHSA-N -1 0 314.338 -0.103 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)NC2(C(=O)[O-])CCC2)C1=O ZINC001598788669 1017419620 /nfs/dbraw/zinc/41/96/20/1017419620.db2.gz GZLIFVGHFRJSAS-SECBINFHSA-N -1 0 312.322 -0.479 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@H](C(=O)[O-])C1 ZINC001598792582 1017419642 /nfs/dbraw/zinc/41/96/42/1017419642.db2.gz MWBKFNGTQUPTRT-UTLUCORTSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)NC2(C(=O)[O-])CCC2)C1=O ZINC001598788670 1017419775 /nfs/dbraw/zinc/41/97/75/1017419775.db2.gz GZLIFVGHFRJSAS-VIFPVBQESA-N -1 0 312.322 -0.479 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)[C@@H](C(=O)[O-])C1 ZINC001598791932 1017420052 /nfs/dbraw/zinc/42/00/52/1017420052.db2.gz KYBTTXQTYQBJMT-IWSPIJDZSA-N -1 0 315.326 -0.702 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cc2nnc(C)o2)[C@@H](C(=O)[O-])C1 ZINC001598793996 1017421559 /nfs/dbraw/zinc/42/15/59/1017421559.db2.gz NNQXFSBBIRDXAB-RKDXNWHRSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001598794190 1017422275 /nfs/dbraw/zinc/42/22/75/1017422275.db2.gz PDVQGVVJDNLMSJ-VIFPVBQESA-N -1 0 315.326 -0.828 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](C)/C=C\C(=O)[O-])CC1 ZINC001598801039 1017422529 /nfs/dbraw/zinc/42/25/29/1017422529.db2.gz XATUWRLRIWRJSR-TYRPZCRBSA-N -1 0 320.367 -0.265 20 0 DBADRM COC(=O)[C@H]1CCS(=O)(=O)N1Cc1oncc1C(=O)[O-] ZINC001598803140 1017423931 /nfs/dbraw/zinc/42/39/31/1017423931.db2.gz IXMSSCVDBXBCLU-SSDOTTSWSA-N -1 0 304.280 -0.550 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H](C)[C@H]2CCC(=O)N2)C[C@H]1C(=O)[O-] ZINC001598804050 1017423980 /nfs/dbraw/zinc/42/39/80/1017423980.db2.gz RUTDCGQFTCKDFX-ZYUZMQFOSA-N -1 0 312.322 -0.767 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC001598805050 1017424109 /nfs/dbraw/zinc/42/41/09/1017424109.db2.gz YLBZUTYCYBRBJR-JGVFFNPUSA-N -1 0 321.351 -0.858 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N(C)C2CCC2)C[C@@H]1C(=O)[O-] ZINC001598803115 1017424171 /nfs/dbraw/zinc/42/41/71/1017424171.db2.gz ITKVWQXUNFRDGE-UWVGGRQHSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(F)(F)C2(O)CCC2)C[C@@H]1C(=O)[O-] ZINC001598805895 1017424246 /nfs/dbraw/zinc/42/42/46/1017424246.db2.gz FOYYQXAWMLUJJQ-JGVFFNPUSA-N -1 0 321.276 -0.131 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC001598805048 1017424563 /nfs/dbraw/zinc/42/45/63/1017424563.db2.gz YLBZUTYCYBRBJR-HTQZYQBOSA-N -1 0 321.351 -0.858 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC001598805052 1017424744 /nfs/dbraw/zinc/42/47/44/1017424744.db2.gz YLBZUTYCYBRBJR-SFYZADRCSA-N -1 0 321.351 -0.858 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCCn2cccn2)C[C@H]1C(=O)[O-] ZINC001598809758 1017426029 /nfs/dbraw/zinc/42/60/29/1017426029.db2.gz RDBSBRZXCHGYNJ-MNOVXSKESA-N -1 0 324.337 -0.212 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)/C=C/Cn2cncn2)C[C@H]1C(=O)[O-] ZINC001598810164 1017426524 /nfs/dbraw/zinc/42/65/24/1017426524.db2.gz VHAGCGZZLJAYHB-HLKOZVMDSA-N -1 0 308.294 -0.834 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001598808272 1017426650 /nfs/dbraw/zinc/42/66/50/1017426650.db2.gz DOIFVEWPRUNRDN-IVZWLZJFSA-N -1 0 301.295 -0.876 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cc2ccc(C(=O)[O-])nc2)CCO1 ZINC001598809647 1017426823 /nfs/dbraw/zinc/42/68/23/1017426823.db2.gz IJJVHDVXGJDRID-NSHDSACASA-N -1 0 308.290 -0.277 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H](C)c2cnccn2)C[C@H]1C(=O)[O-] ZINC001598807353 1017427158 /nfs/dbraw/zinc/42/71/58/1017427158.db2.gz MCILLSANKJMTNM-OPRDCNLKSA-N -1 0 307.306 -0.088 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2NCCc3occc32)C[C@H]1C(=O)[O-] ZINC001598807823 1017427220 /nfs/dbraw/zinc/42/72/20/1017427220.db2.gz NLHRJRDZGHMYLL-CKYFFXLPSA-N -1 0 322.317 -0.201 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2cncnc2OC)C[C@@H]1C(=O)[O-] ZINC001598814769 1017428672 /nfs/dbraw/zinc/42/86/72/1017428672.db2.gz MVSLCLPPPYOFSL-JGVFFNPUSA-N -1 0 324.293 -0.177 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCc2ccnn2C)C[C@@H]1C(=O)[O-] ZINC001598812564 1017428692 /nfs/dbraw/zinc/42/86/92/1017428692.db2.gz ZYDIKHKUPOXQSV-WDEREUQCSA-N -1 0 324.337 -0.522 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@@H]1C(=O)[O-] ZINC001598811091 1017428706 /nfs/dbraw/zinc/42/87/06/1017428706.db2.gz YQGPHICTJYNMJE-ADEWGFFLSA-N -1 0 321.333 -0.222 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NOCC(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001598814034 1017428736 /nfs/dbraw/zinc/42/87/36/1017428736.db2.gz HIRIJHHREXQUAI-WDSKDSINSA-N -1 0 314.216 -0.005 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C(=O)[O-] ZINC001598813099 1017429098 /nfs/dbraw/zinc/42/90/98/1017429098.db2.gz SILIWLMHGOUISG-GHMZBOCLSA-N -1 0 314.338 -0.959 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)COCC(F)(F)F)C[C@H]1C(=O)[O-] ZINC001598810821 1017429595 /nfs/dbraw/zinc/42/95/95/1017429595.db2.gz LTNJGGFWQNHBAO-RNFRBKRXSA-N -1 0 313.228 -0.103 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NOCC(F)(F)F)C[C@H]1C(=O)[O-] ZINC001598814032 1017429652 /nfs/dbraw/zinc/42/96/52/1017429652.db2.gz HIRIJHHREXQUAI-PHDIDXHHSA-N -1 0 314.216 -0.005 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCC(C)(C)OC)C[C@H]1C(=O)[O-] ZINC001598812256 1017429821 /nfs/dbraw/zinc/42/98/21/1017429821.db2.gz ZQDSLTIPQLTIRQ-RKDXNWHRSA-N -1 0 302.327 -0.073 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccncc2F)C[C@H]1C(=O)[O-] ZINC001598815854 1017431050 /nfs/dbraw/zinc/43/10/50/1017431050.db2.gz PRTUHAQRPAHFEU-HTQZYQBOSA-N -1 0 311.269 -0.020 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1C(=O)[O-] ZINC001598817760 1017431119 /nfs/dbraw/zinc/43/11/19/1017431119.db2.gz NVBBUTGKDWVQQC-HTQZYQBOSA-N -1 0 309.278 -0.569 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2cncn2C)C[C@@H]1C(=O)[O-] ZINC001598815976 1017431147 /nfs/dbraw/zinc/43/11/47/1017431147.db2.gz PMSATGVHOSVCSR-UWVGGRQHSA-N -1 0 310.310 -0.565 20 0 DBADRM COC(=O)[C@@H]1CN(C)CCN(C(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001598816922 1017431524 /nfs/dbraw/zinc/43/15/24/1017431524.db2.gz FDVZZSLBIVAGSM-LLVKDONJSA-N -1 0 321.333 -0.043 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2cccn(C)c2=O)C[C@H]1C(=O)[O-] ZINC001598815877 1017432081 /nfs/dbraw/zinc/43/20/81/1017432081.db2.gz PXXVESMBINMLRI-BDAKNGLRSA-N -1 0 323.305 -0.277 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnc3[nH]cnc3c2)C[C@H]1C(=O)[O-] ZINC001598822674 1017433880 /nfs/dbraw/zinc/43/38/80/1017433880.db2.gz RSHGPMLQHZNZRV-RKDXNWHRSA-N -1 0 318.289 -0.096 20 0 DBADRM COC(=O)[C@H]1CN(CN2C(=O)CC(C)(C)C2=O)C[C@@H]1C(=O)[O-] ZINC001598822815 1017433933 /nfs/dbraw/zinc/43/39/33/1017433933.db2.gz SWJASDGIAWFZJC-IUCAKERBSA-N -1 0 312.322 -0.465 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)Nc2cnccn2)C[C@@H]1C(=O)[O-] ZINC001598821042 1017434272 /nfs/dbraw/zinc/43/42/72/1017434272.db2.gz JRTKVILQDSSVGB-IUCAKERBSA-N -1 0 308.294 -0.779 20 0 DBADRM COC(=O)[C@H]1CN(CN2CC(C)(C)OC2=O)C[C@H]1C(=O)[O-] ZINC001598821917 1017434352 /nfs/dbraw/zinc/43/43/52/1017434352.db2.gz NLDOVMFETRWFGQ-BDAKNGLRSA-N -1 0 300.311 -0.020 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])n2)CCO1 ZINC001598822817 1017434403 /nfs/dbraw/zinc/43/44/03/1017434403.db2.gz SWWYFPXMRULXEG-JTQLQIEISA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@H]1CN(CN2C(=O)CC(C)(C)C2=O)C[C@H]1C(=O)[O-] ZINC001598822813 1017435173 /nfs/dbraw/zinc/43/51/73/1017435173.db2.gz SWJASDGIAWFZJC-BDAKNGLRSA-N -1 0 312.322 -0.465 20 0 DBADRM COC(=O)[C@@H]1CN(c2ccc3nnc(C)n3n2)C[C@@H]1C(=O)[O-] ZINC001598827704 1017436244 /nfs/dbraw/zinc/43/62/44/1017436244.db2.gz OGOGPNWLDXXGQZ-DTWKUNHWSA-N -1 0 305.294 -0.257 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)NCCOCC(=O)[O-])[C@@H]2C1 ZINC001598826843 1017436581 /nfs/dbraw/zinc/43/65/81/1017436581.db2.gz XJRDSDUOMVXRNC-DBIOUOCHSA-N -1 0 314.338 -0.026 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)CC(C)(C)C(=O)[O-])CCO1 ZINC001598823957 1017436807 /nfs/dbraw/zinc/43/68/07/1017436807.db2.gz DYTDECFMBSJPHO-QMMMGPOBSA-N -1 0 309.340 -0.699 20 0 DBADRM COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CCCCC(=O)[O-] ZINC001598825630 1017437349 /nfs/dbraw/zinc/43/73/49/1017437349.db2.gz PBXPTAXHPKHICA-SECBINFHSA-N -1 0 321.351 -0.570 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@@H]1C(=O)[O-] ZINC001598823917 1017437483 /nfs/dbraw/zinc/43/74/83/1017437483.db2.gz XYLQKCGKPNIARS-WDSKDSINSA-N -1 0 300.292 -0.206 20 0 DBADRM COC(=O)[C@H]1COCCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598825418 1017437689 /nfs/dbraw/zinc/43/76/89/1017437689.db2.gz NKQWCYCMVXRPAA-MRVPVSSYSA-N -1 0 307.324 -0.945 20 0 DBADRM COC(=O)[C@H]1COCCN1C(=O)CCc1ocnc1C(=O)[O-] ZINC001598825515 1017437699 /nfs/dbraw/zinc/43/76/99/1017437699.db2.gz CSAWNVMHOKSJEV-MRVPVSSYSA-N -1 0 312.278 -0.294 20 0 DBADRM COC(=O)C[C@@H](C)CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001598836268 1017439174 /nfs/dbraw/zinc/43/91/74/1017439174.db2.gz YWPGZPJFJQTSRD-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)/C=C/[C@@H](C)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001598830940 1017439694 /nfs/dbraw/zinc/43/96/94/1017439694.db2.gz KCOCWVYDTQTCHY-VUHVRTRXSA-N -1 0 308.290 -0.220 20 0 DBADRM COC(=O)/C=C\c1ccc(C(=O)OCC(=O)NCC(=O)[O-])o1 ZINC001598832801 1017439769 /nfs/dbraw/zinc/43/97/69/1017439769.db2.gz XUEKJYJMFLMNMZ-HYXAFXHYSA-N -1 0 311.246 -0.177 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cscn2)C[C@H]1C(=O)[O-] ZINC001598830096 1017439872 /nfs/dbraw/zinc/43/98/72/1017439872.db2.gz XBGLHIZTIBTRLJ-RQJHMYQMSA-N -1 0 320.348 -0.363 20 0 DBADRM COC(=O)/C=C\c1ccc(C(=O)NCC(=O)NCC(=O)[O-])o1 ZINC001598830123 1017440121 /nfs/dbraw/zinc/44/01/21/1017440121.db2.gz HHIVAPZGTRJGOG-HYXAFXHYSA-N -1 0 310.262 -0.604 20 0 DBADRM COC(=O)[C@@H]1CN(Cc2nc(CO)cs2)C[C@@H]1C(=O)[O-] ZINC001598828947 1017440399 /nfs/dbraw/zinc/44/03/99/1017440399.db2.gz ZYNFGZZNZQXTIT-DTWKUNHWSA-N -1 0 300.336 -0.059 20 0 DBADRM COC(=O)CC(C)(C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598833883 1017440432 /nfs/dbraw/zinc/44/04/32/1017440432.db2.gz NADLPTIAHRMTQU-SECBINFHSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)C[C@H](C)CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001598836267 1017440601 /nfs/dbraw/zinc/44/06/01/1017440601.db2.gz YWPGZPJFJQTSRD-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)[C@@H]1CN(c2ccc3nnc(C)n3n2)C[C@H]1C(=O)[O-] ZINC001598827907 1017440611 /nfs/dbraw/zinc/44/06/11/1017440611.db2.gz OGOGPNWLDXXGQZ-RKDXNWHRSA-N -1 0 305.294 -0.257 20 0 DBADRM COC(=O)C[C@H](C)CC(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001598835984 1017440944 /nfs/dbraw/zinc/44/09/44/1017440944.db2.gz QYBOFXXWXYYCCS-RKDXNWHRSA-N -1 0 303.311 -0.092 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC001598841808 1017441513 /nfs/dbraw/zinc/44/15/13/1017441513.db2.gz WJYMSAUJUXKKQB-MRVPVSSYSA-N -1 0 323.261 -0.841 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(N)cc1F)C(=O)[O-] ZINC001598840244 1017441967 /nfs/dbraw/zinc/44/19/67/1017441967.db2.gz PIOCUTNTZHQOTQ-MRVPVSSYSA-N -1 0 320.298 -0.298 20 0 DBADRM COC(=O)C[C@H](NC(=O)Cc1[nH]nc2c1CCCC2)C(=O)[O-] ZINC001598837086 1017442048 /nfs/dbraw/zinc/44/20/48/1017442048.db2.gz LMOSKVHVIWFEGP-NSHDSACASA-N -1 0 309.322 -0.037 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cc2c(cc1O)OCO2)C(=O)[O-] ZINC001598837669 1017442438 /nfs/dbraw/zinc/44/24/38/1017442438.db2.gz FPOHCNDGSCAXHO-ZETCQYMHSA-N -1 0 311.246 -0.133 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H]1CCCc2nn(C)cc21)C(=O)[O-] ZINC001598840135 1017442514 /nfs/dbraw/zinc/44/25/14/1017442514.db2.gz ZSMMKMMCKLRXKZ-LDYMZIIASA-N -1 0 309.322 -0.028 20 0 DBADRM COC(=O)C[C@H](NC(=O)CNc1ccccc1C(N)=O)C(=O)[O-] ZINC001598837515 1017442529 /nfs/dbraw/zinc/44/25/29/1017442529.db2.gz PCWLGTHWVKPQQD-JTQLQIEISA-N -1 0 323.305 -0.670 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)C[C@@H]1CCC1(F)F)C(=O)[O-] ZINC001598839797 1017442642 /nfs/dbraw/zinc/44/26/42/1017442642.db2.gz JTGNNSZYYZSCKL-NKWVEPMBSA-N -1 0 315.294 -0.033 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccnc(-n2cncn2)c1)C(=O)[O-] ZINC001598840775 1017442788 /nfs/dbraw/zinc/44/27/88/1017442788.db2.gz NBPOWGIHPBFAFA-VIFPVBQESA-N -1 0 319.277 -0.592 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001598841969 1017442904 /nfs/dbraw/zinc/44/29/04/1017442904.db2.gz VRBJRUDAYKNFCS-SNVBAGLBSA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cc(F)cc2n[nH]nc21)C(=O)[O-] ZINC001598837352 1017442980 /nfs/dbraw/zinc/44/29/80/1017442980.db2.gz COLQGCGTEYQOIY-MRVPVSSYSA-N -1 0 310.241 -0.157 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001598841565 1017443015 /nfs/dbraw/zinc/44/30/15/1017443015.db2.gz QIUGONZKBIJINZ-ZETCQYMHSA-N -1 0 300.271 -0.987 20 0 DBADRM COC(=O)C[C@H]1COCCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001598844290 1017444296 /nfs/dbraw/zinc/44/42/96/1017444296.db2.gz GYFYDKIAXMTBPI-VIFPVBQESA-N -1 0 321.351 -0.413 20 0 DBADRM COC(=O)C[C@@H]1CS(=O)(=O)CCN1C/C(C)=C\C(=O)[O-] ZINC001598844555 1017444964 /nfs/dbraw/zinc/44/49/64/1017444964.db2.gz PDTAVJAPRKCAOM-HYHWUIIZSA-N -1 0 305.352 -0.321 20 0 DBADRM COC(=O)CC[C@H]([NH3+])C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001598846625 1017445491 /nfs/dbraw/zinc/44/54/91/1017445491.db2.gz GFYUGYMDHIMFML-VIFPVBQESA-N -1 0 312.326 -0.078 20 0 DBADRM COC(=O)CCCS(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])[C@H]2C[C@H]21 ZINC001598852474 1017446461 /nfs/dbraw/zinc/44/64/61/1017446461.db2.gz RPOKJBMLNRBALG-QCLAVDOMSA-N -1 0 305.352 -0.032 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001598852218 1017447863 /nfs/dbraw/zinc/44/78/63/1017447863.db2.gz IVVFRXOFMVSRMC-NSHDSACASA-N -1 0 323.367 -0.573 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC2CC1(C(=O)[O-])C2 ZINC001598852786 1017448073 /nfs/dbraw/zinc/44/80/73/1017448073.db2.gz FNSAIIWTRILZDO-UHFFFAOYSA-N -1 0 306.340 -0.725 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001598852539 1017448669 /nfs/dbraw/zinc/44/86/69/1017448669.db2.gz UAYWUZDFACGDNY-WCBMZHEXSA-N -1 0 309.340 -0.821 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CCCc2nn[nH]c21)C(=O)[O-] ZINC001598854790 1017449647 /nfs/dbraw/zinc/44/96/47/1017449647.db2.gz CHUSLFUTCJBARQ-IONNQARKSA-N -1 0 310.310 -0.253 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C(=O)[O-] ZINC001598856815 1017449867 /nfs/dbraw/zinc/44/98/67/1017449867.db2.gz HDGZLXPZNUHOLU-HRDYMLBCSA-N -1 0 300.311 -0.589 20 0 DBADRM O=C(CCc1cncnc1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497631864 1017449664 /nfs/dbraw/zinc/44/96/64/1017449664.db2.gz GKPHLAYWGABLEM-OWOJBTEDSA-N -1 0 317.353 -0.305 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1nc2ncc(C)cn2n1)C(=O)[O-] ZINC001598857295 1017449923 /nfs/dbraw/zinc/44/99/23/1017449923.db2.gz FLXSAVRNMMJWTC-MRVPVSSYSA-N -1 0 321.293 -0.431 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CC1(O)CCOCC1)C(=O)[O-] ZINC001598855857 1017449979 /nfs/dbraw/zinc/44/99/79/1017449979.db2.gz DPPQHEIFKJUKSE-SECBINFHSA-N -1 0 303.311 -0.559 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cccc(C(N)=O)n1)C(=O)[O-] ZINC001598857651 1017450510 /nfs/dbraw/zinc/45/05/10/1017450510.db2.gz GAXXQIMYFAIMAH-SECBINFHSA-N -1 0 309.278 -0.683 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001598854699 1017450538 /nfs/dbraw/zinc/45/05/38/1017450538.db2.gz ONUXCZMRETVKSM-UHFFFAOYSA-N -1 0 311.294 -0.488 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)C[C@H]1CCCC(=O)N1)C(=O)[O-] ZINC001598856044 1017450589 /nfs/dbraw/zinc/45/05/89/1017450589.db2.gz HOYLHSMRFJASAL-RKDXNWHRSA-N -1 0 300.311 -0.432 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cnc2c(c1)nnn2C)C(=O)[O-] ZINC001598857410 1017450602 /nfs/dbraw/zinc/45/06/02/1017450602.db2.gz NVBWEGBWSMHRLR-MRVPVSSYSA-N -1 0 321.293 -0.501 20 0 DBADRM COC(=O)CCN1CC[C@H](N2CC[C@](F)(C(=O)[O-])C2)C1=O ZINC001598854256 1017450792 /nfs/dbraw/zinc/45/07/92/1017450792.db2.gz UYUCPZPEFPYMAH-TVQRCGJNSA-N -1 0 302.302 -0.351 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)OC)O1)C(=O)[O-] ZINC001598857019 1017451450 /nfs/dbraw/zinc/45/14/50/1017451450.db2.gz NTCDOTHVAHIVDC-HRDYMLBCSA-N -1 0 317.294 -0.770 20 0 DBADRM COC(=O)CCNC(=O)CN1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC001598854917 1017451472 /nfs/dbraw/zinc/45/14/72/1017451472.db2.gz PIGSLQQTEWNXBQ-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)CN(C)CCNS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001598859511 1017452445 /nfs/dbraw/zinc/45/24/45/1017452445.db2.gz CNLJHQFFQVWGDK-UHFFFAOYSA-N -1 0 310.372 -0.879 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)C[C@@H]1CCCS1(=O)=O ZINC001598861158 1017452840 /nfs/dbraw/zinc/45/28/40/1017452840.db2.gz YINOFKKXKDKUDX-QMMMGPOBSA-N -1 0 307.324 -0.960 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cccc2ncnn21)C(=O)[O-] ZINC001598857981 1017452848 /nfs/dbraw/zinc/45/28/48/1017452848.db2.gz UVFJAGQFVXTWJK-MRVPVSSYSA-N -1 0 306.278 -0.135 20 0 DBADRM COC(=O)CSCCC(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001598868465 1017458602 /nfs/dbraw/zinc/45/86/02/1017458602.db2.gz NTOVZDJPPKOVNP-LBPRGKRZSA-N -1 0 305.352 -0.015 20 0 DBADRM COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CC[C@](O)(C(=O)[O-])C2)O1 ZINC001598857904 1017453278 /nfs/dbraw/zinc/45/32/78/1017453278.db2.gz CSYHZGMZQJZIGX-IMSIIYSGSA-N -1 0 315.322 -0.465 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccnc(F)c1OC ZINC001598861579 1017453614 /nfs/dbraw/zinc/45/36/14/1017453614.db2.gz GYWAHKNFLQCKKZ-UHFFFAOYSA-N -1 0 300.242 -0.071 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CN1CSCCSC1 ZINC001598859976 1017453920 /nfs/dbraw/zinc/45/39/20/1017453920.db2.gz DCURFUMKSPJLCF-UHFFFAOYSA-N -1 0 322.408 -0.230 20 0 DBADRM COC(=O)COCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001598865479 1017459117 /nfs/dbraw/zinc/45/91/17/1017459117.db2.gz JODLBWLKXAOZSY-ZJUUUORDSA-N -1 0 302.327 -0.072 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001598864109 1017455761 /nfs/dbraw/zinc/45/57/61/1017455761.db2.gz APSJYLMTALCYLZ-IUCAKERBSA-N -1 0 300.311 -0.717 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC001598863386 1017456264 /nfs/dbraw/zinc/45/62/64/1017456264.db2.gz LAHLTNXOXWTWBJ-JTQLQIEISA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)COCC(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC001598864400 1017456481 /nfs/dbraw/zinc/45/64/81/1017456481.db2.gz IABJIZTXTPFWCN-BREBYQMCSA-N -1 0 317.338 -0.049 20 0 DBADRM COC(=O)CSCCC(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001598868464 1017457902 /nfs/dbraw/zinc/45/79/02/1017457902.db2.gz NTOVZDJPPKOVNP-GFCCVEGCSA-N -1 0 305.352 -0.015 20 0 DBADRM COC(=O)COCCNC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001598865867 1017458210 /nfs/dbraw/zinc/45/82/10/1017458210.db2.gz NEWWUNRBYGELNF-SNVBAGLBSA-N -1 0 302.327 -0.024 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001598865051 1017458514 /nfs/dbraw/zinc/45/85/14/1017458514.db2.gz ONDGLWJYRKYMGM-HWKANZROSA-N -1 0 310.262 -0.604 20 0 DBADRM COC(=O)COCCNC(=O)NCc1cc(C(=O)[O-])co1 ZINC001598866607 1017458926 /nfs/dbraw/zinc/45/89/26/1017458926.db2.gz ZPBMOUUNNCGDCH-UHFFFAOYSA-N -1 0 300.267 -0.033 20 0 DBADRM COC(=O)CNC(=O)COC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001598865033 1017459126 /nfs/dbraw/zinc/45/91/26/1017459126.db2.gz ODLWZOUFQKHVTF-UHFFFAOYSA-N -1 0 309.274 -0.240 20 0 DBADRM COC(=O)Cc1cccc(NC(=O)Cn2cc(C(=O)[O-])nn2)n1 ZINC001598874168 1017459795 /nfs/dbraw/zinc/45/97/95/1017459795.db2.gz RXRABJKCOQOWOR-UHFFFAOYSA-N -1 0 319.277 -0.275 20 0 DBADRM COC(=O)N(C)CC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001598876223 1017460105 /nfs/dbraw/zinc/46/01/05/1017460105.db2.gz NUCCMGAYCXRSNX-TVQRCGJNSA-N -1 0 300.311 -0.366 20 0 DBADRM COC(=O)N1CC(N2C(=O)[C@H]3C[C@H](C(=O)[O-])CCN3C2=O)C1 ZINC001598875726 1017460412 /nfs/dbraw/zinc/46/04/12/1017460412.db2.gz KEROZRVBDLNABA-VXNVDRBHSA-N -1 0 311.294 -0.436 20 0 DBADRM COC(=O)Cn1cc(CCN2CCO[C@@H](CC(=O)[O-])C2)nn1 ZINC001598875567 1017460422 /nfs/dbraw/zinc/46/04/22/1017460422.db2.gz GANJGMZMDNCAGJ-NSHDSACASA-N -1 0 312.326 -0.831 20 0 DBADRM COC(=O)N(C)CCN1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001598877334 1017460606 /nfs/dbraw/zinc/46/06/06/1017460606.db2.gz DGUYTIUWLSLREM-IUCAKERBSA-N -1 0 313.310 -0.188 20 0 DBADRM COC(=O)Cc1occ(C)c1C(=O)NCC(=O)NCC(=O)[O-] ZINC001598874402 1017461400 /nfs/dbraw/zinc/46/14/00/1017461400.db2.gz POVITIABHWTNKG-UHFFFAOYSA-N -1 0 312.278 -0.766 20 0 DBADRM COC(=O)N1CCCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC001598878427 1017463556 /nfs/dbraw/zinc/46/35/56/1017463556.db2.gz ATWMYKVRBURPPR-UHFFFAOYSA-N -1 0 310.310 -0.118 20 0 DBADRM COC(=O)N1CCN([C@H]2CCCN(CCC(=O)[O-])C2=O)CC1 ZINC001598881868 1017463820 /nfs/dbraw/zinc/46/38/20/1017463820.db2.gz MDBHHFOJECVELB-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM COC(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(O)c1 ZINC001598882687 1017463913 /nfs/dbraw/zinc/46/39/13/1017463913.db2.gz FCXLUHOWXJJNRC-LLVKDONJSA-N -1 0 312.278 -0.001 20 0 DBADRM COC(=O)NCCC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001598883127 1017463978 /nfs/dbraw/zinc/46/39/78/1017463978.db2.gz LEIIUJZULIAQTR-DTWKUNHWSA-N -1 0 316.310 -0.403 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001598881120 1017463990 /nfs/dbraw/zinc/46/39/90/1017463990.db2.gz YAUWQXLSBBKNDX-BBBLOLIVSA-N -1 0 300.311 -0.034 20 0 DBADRM COC(=O)N1CCC(NC(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC001598878304 1017464010 /nfs/dbraw/zinc/46/40/10/1017464010.db2.gz UBZQSAWFTUMMKR-UHFFFAOYSA-N -1 0 310.310 -0.072 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001598889992 1017465308 /nfs/dbraw/zinc/46/53/08/1017465308.db2.gz HITLVEVTXJUVOC-YMTOWFKASA-N -1 0 314.338 -0.042 20 0 DBADRM COC(=O)N[C@H](C(=O)N1CCC(O)(C(=O)[O-])CC1)C(C)C ZINC001598884737 1017465342 /nfs/dbraw/zinc/46/53/42/1017465342.db2.gz LRLCJLSLXJKAFP-VIFPVBQESA-N -1 0 302.327 -0.195 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CSCN1C(C)=O ZINC001598890659 1017465392 /nfs/dbraw/zinc/46/53/92/1017465392.db2.gz UDYXRIGKUOHQQO-BDAKNGLRSA-N -1 0 318.351 -0.570 20 0 DBADRM COC(=O)[C@@H](C)NC(=O)c1ccc(C(=O)N[C@H](C)C(=O)[O-])nc1 ZINC001598888830 1017465542 /nfs/dbraw/zinc/46/55/42/1017465542.db2.gz JCMJFRSYYRKIOL-HTQZYQBOSA-N -1 0 323.305 -0.424 20 0 DBADRM COC(=O)[C@@H](C)NC(=O)c1ccc(C(=O)N[C@H](C)C(=O)[O-])cn1 ZINC001598888793 1017465888 /nfs/dbraw/zinc/46/58/88/1017465888.db2.gz HBLPNAAHROKEAZ-HTQZYQBOSA-N -1 0 323.305 -0.424 20 0 DBADRM COC(=O)NCCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598884895 1017466438 /nfs/dbraw/zinc/46/64/38/1017466438.db2.gz MSPCEQIGUONHQM-UHFFFAOYSA-N -1 0 303.296 -0.586 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CNC(=O)c1ccncc1 ZINC001598889740 1017466482 /nfs/dbraw/zinc/46/64/82/1017466482.db2.gz BTQQIIQBWGKPFC-SNVBAGLBSA-N -1 0 323.305 -0.666 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001598889148 1017466536 /nfs/dbraw/zinc/46/65/36/1017466536.db2.gz SIRLRXZTBZRMKE-SCZZXKLOSA-N -1 0 300.267 -0.333 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001598890112 1017466781 /nfs/dbraw/zinc/46/67/81/1017466781.db2.gz JKIPVSFYDXKDQA-VHSXEESVSA-N -1 0 324.337 -0.328 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1nc2ncc(C)cn2n1 ZINC001598892540 1017468286 /nfs/dbraw/zinc/46/82/86/1017468286.db2.gz AUZBRVMMQNQOLY-MRVPVSSYSA-N -1 0 321.293 -0.431 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598893335 1017468396 /nfs/dbraw/zinc/46/83/96/1017468396.db2.gz FMIOLEDKLGJLQA-JRPNMDOOSA-N -1 0 307.302 -0.105 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001598895984 1017468424 /nfs/dbraw/zinc/46/84/24/1017468424.db2.gz SDYGNXWBWVXCGH-IVZWLZJFSA-N -1 0 315.322 -0.092 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001598891948 1017468657 /nfs/dbraw/zinc/46/86/57/1017468657.db2.gz XOVAVKLXALMOID-PSASIEDQSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])C1 ZINC001598896395 1017468705 /nfs/dbraw/zinc/46/87/05/1017468705.db2.gz DDVUFYUFFCCUNJ-IMSYWVGJSA-N -1 0 321.351 -0.822 20 0 DBADRM COC(=O)[C@@H]1CC(F)(F)CN1S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001598894570 1017468754 /nfs/dbraw/zinc/46/87/54/1017468754.db2.gz ZIYSWYMKOLUTAM-BQBZGAKWSA-N -1 0 315.294 -0.081 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)[C@@H](C)O ZINC001598894011 1017468841 /nfs/dbraw/zinc/46/88/41/1017468841.db2.gz NOTMLZLKUTWUMT-PELKAZGASA-N -1 0 311.290 -0.198 20 0 DBADRM COC(=O)[C@H](C)N(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598902123 1017472141 /nfs/dbraw/zinc/47/21/41/1017472141.db2.gz ZLUCYCSSENCFRU-DTWKUNHWSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])C1 ZINC001598896827 1017469166 /nfs/dbraw/zinc/46/91/66/1017469166.db2.gz GIHADFKZLBTZRT-AEJSXWLSSA-N -1 0 310.310 -0.563 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCCN(C)C1=O ZINC001598891281 1017469288 /nfs/dbraw/zinc/46/92/88/1017469288.db2.gz FPULNHQYLWYLBB-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cccc2ncnn21 ZINC001598892849 1017469407 /nfs/dbraw/zinc/46/94/07/1017469407.db2.gz WHGMRNXTMHMDEZ-MRVPVSSYSA-N -1 0 306.278 -0.135 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)C[C@H]1CCCCO1 ZINC001598892646 1017469548 /nfs/dbraw/zinc/46/95/48/1017469548.db2.gz DPBWKBGCJHFKHS-NXEZZACHSA-N -1 0 323.367 -0.119 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001598894794 1017469568 /nfs/dbraw/zinc/46/95/68/1017469568.db2.gz RHDZOTOGXZQDEM-YUMQZZPRSA-N -1 0 308.331 -0.043 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)O1 ZINC001598897795 1017470814 /nfs/dbraw/zinc/47/08/14/1017470814.db2.gz RKKCDNFLCDCPRD-JLIMGVALSA-N -1 0 301.295 -0.999 20 0 DBADRM COC(=O)[C@]12C[C@H]1C[C@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C2 ZINC001598901813 1017471176 /nfs/dbraw/zinc/47/11/76/1017471176.db2.gz UKOFANCXROAZQZ-XBWDGYHZSA-N -1 0 305.352 -0.032 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N(CCC(=O)[O-])CC(OC)OC ZINC001598900675 1017471215 /nfs/dbraw/zinc/47/12/15/1017471215.db2.gz WIJBNFAXTIBDCT-DTWKUNHWSA-N -1 0 303.311 -0.282 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)NCc2ocnc2C(=O)[O-])C[C@H]1C ZINC001598901761 1017471262 /nfs/dbraw/zinc/47/12/62/1017471262.db2.gz OIDNCIXMSZVUCZ-BRDIYROLSA-N -1 0 312.278 -0.044 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@]2(C(=O)[O-])CCSC2)O1 ZINC001598898333 1017471279 /nfs/dbraw/zinc/47/12/79/1017471279.db2.gz SJJSSPVLMRPYGL-RGNHYFCHSA-N -1 0 303.336 -0.217 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C[C@H](C)O1 ZINC001598898166 1017471541 /nfs/dbraw/zinc/47/15/41/1017471541.db2.gz NFFNVNFYIDTUGL-JXUBOQSCSA-N -1 0 301.295 -0.593 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001598900198 1017471818 /nfs/dbraw/zinc/47/18/18/1017471818.db2.gz JUJXWEFXWUZMFH-PHDIDXHHSA-N -1 0 320.348 -0.071 20 0 DBADRM COC(=O)[C@H](C)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001598900978 1017471950 /nfs/dbraw/zinc/47/19/50/1017471950.db2.gz DCYQZMDGPLBMAO-ZETCQYMHSA-N -1 0 305.312 -0.850 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598901770 1017471975 /nfs/dbraw/zinc/47/19/75/1017471975.db2.gz PIVHVIIDRMAKBH-JGVFFNPUSA-N -1 0 307.324 -0.899 20 0 DBADRM COC(=O)[C@H]1[C@@H]2CN(S(=O)(=O)CC3(C(=O)[O-])CC3)C[C@@H]21 ZINC001598901542 1017472127 /nfs/dbraw/zinc/47/21/27/1017472127.db2.gz FUHNZCNQLSVYPP-BRPSZJMVSA-N -1 0 303.336 -0.468 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001598902201 1017472231 /nfs/dbraw/zinc/47/22/31/1017472231.db2.gz VHJYYYRNEJOTEY-INTQDDNPSA-N -1 0 302.327 -0.868 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@@H](C)CC(=O)[O-] ZINC001598902911 1017473889 /nfs/dbraw/zinc/47/38/89/1017473889.db2.gz ISIAGVLVIKAXEJ-VGMNWLOBSA-N -1 0 302.327 -0.330 20 0 DBADRM COC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598905043 1017474224 /nfs/dbraw/zinc/47/42/24/1017474224.db2.gz LVNFXMPPTDBMTE-MRVPVSSYSA-N -1 0 317.323 -0.176 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001598906573 1017474278 /nfs/dbraw/zinc/47/42/78/1017474278.db2.gz OFRHTLJJSNUSMM-AOOOYVTPSA-N -1 0 320.367 -0.431 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@H](C)CC(=O)[O-] ZINC001598902910 1017474792 /nfs/dbraw/zinc/47/47/92/1017474792.db2.gz ISIAGVLVIKAXEJ-CIUDSAMLSA-N -1 0 302.327 -0.330 20 0 DBADRM COC(=O)[C@H]1CN(CN2C[C@@H](C(=O)[O-])CC2=O)C[C@@H](C)O1 ZINC001598905119 1017475222 /nfs/dbraw/zinc/47/52/22/1017475222.db2.gz NWIVOUMEUBGTGP-KXUCPTDWSA-N -1 0 300.311 -0.861 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)C1 ZINC001598906643 1017475276 /nfs/dbraw/zinc/47/52/76/1017475276.db2.gz PLUQRKLTHWLTIV-DOLQZWNJSA-N -1 0 300.311 -0.179 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)C1 ZINC001598907686 1017475355 /nfs/dbraw/zinc/47/53/55/1017475355.db2.gz YOBAXFQUJKUGFU-IMSYWVGJSA-N -1 0 312.322 -0.624 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CCCS(=O)(=O)N(C)C ZINC001598925453 1017476638 /nfs/dbraw/zinc/47/66/38/1017476638.db2.gz SRGDBGLQUGODSV-UHFFFAOYSA-N -1 0 319.339 -0.351 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN(C)[C@@H]2CCN(C)C2=O)n1 ZINC001598924028 1017476909 /nfs/dbraw/zinc/47/69/09/1017476909.db2.gz CBHRZVILXIAHPW-SECBINFHSA-N -1 0 310.310 -0.512 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN2C[C@@H](OC)[C@@H](OC)C2)n1 ZINC001598922925 1017477179 /nfs/dbraw/zinc/47/71/79/1017477179.db2.gz VDSWCNJKVMCLOO-PHIMTYICSA-N -1 0 313.310 -0.329 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])on1 ZINC001598920297 1017477259 /nfs/dbraw/zinc/47/72/59/1017477259.db2.gz YUHXSUDKIFNSOT-WDSKDSINSA-N -1 0 313.266 -0.831 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN1C[C@@H](OC)[C@@H](OC)C1 ZINC001598926136 1017477282 /nfs/dbraw/zinc/47/72/82/1017477282.db2.gz KNQIIKLISLABAR-PHIMTYICSA-N -1 0 313.310 -0.329 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@H](CCC(=O)[O-])C(=O)OC)on1 ZINC001598919901 1017477636 /nfs/dbraw/zinc/47/76/36/1017477636.db2.gz NOVAUVWRJXOJJE-ZCFIWIBFSA-N -1 0 314.250 -0.403 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN1CC(=O)N(C)[C@@H](C)C1 ZINC001598925670 1017477884 /nfs/dbraw/zinc/47/78/84/1017477884.db2.gz VLZBTQZHUUQXJA-QMMMGPOBSA-N -1 0 310.310 -0.512 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)cn1 ZINC001598959063 1017479848 /nfs/dbraw/zinc/47/98/48/1017479848.db2.gz LEOZRHKETJFCBR-VIFPVBQESA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])[nH]1 ZINC001598958838 1017480749 /nfs/dbraw/zinc/48/07/49/1017480749.db2.gz GMKDMNGFVIQVDJ-SECBINFHSA-N -1 0 312.278 -0.253 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)n[nH]1 ZINC001598952144 1017480905 /nfs/dbraw/zinc/48/09/05/1017480905.db2.gz FBHDFUKFAOXRCL-RQJHMYQMSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@](C)(C(=O)[O-])C2CC2)n[nH]1 ZINC001598950616 1017481064 /nfs/dbraw/zinc/48/10/64/1017481064.db2.gz BHPALRNXKPMJIP-LLVKDONJSA-N -1 0 317.323 -0.272 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])[nH]1 ZINC001598958840 1017481158 /nfs/dbraw/zinc/48/11/58/1017481158.db2.gz GMKDMNGFVIQVDJ-VIFPVBQESA-N -1 0 312.278 -0.253 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])n(C)c1 ZINC001598950989 1017481393 /nfs/dbraw/zinc/48/13/93/1017481393.db2.gz VJJCKZBNZATYDF-SSDOTTSWSA-N -1 0 304.324 -0.095 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)CCO)ccc1C(=O)[O-] ZINC001598950572 1017481470 /nfs/dbraw/zinc/48/14/70/1017481470.db2.gz FZEOYCJKZNCPMU-UHFFFAOYSA-N -1 0 317.319 -0.216 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])n(C)c1 ZINC001598954443 1017481479 /nfs/dbraw/zinc/48/14/79/1017481479.db2.gz FFCMYUQSZVXUAR-VXNVDRBHSA-N -1 0 316.335 -0.189 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)NC(C)(C)C(=O)[O-])cn1C ZINC001598937210 1017481620 /nfs/dbraw/zinc/48/16/20/1017481620.db2.gz PCCOULPWGOEDJT-UHFFFAOYSA-N -1 0 311.294 -0.270 20 0 DBADRM COC(=O)c1cccc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])n1 ZINC001598991415 1017482913 /nfs/dbraw/zinc/48/29/13/1017482913.db2.gz LHBVWQBAMVBVFT-MNOVXSKESA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)c1cccc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])c1 ZINC001598992406 1017483081 /nfs/dbraw/zinc/48/30/81/1017483081.db2.gz SZILQZHEKPBHCM-LLVKDONJSA-N -1 0 318.289 -0.052 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cn1 ZINC001599008371 1017486512 /nfs/dbraw/zinc/48/65/12/1017486512.db2.gz YXBUVCOXOGPAGN-LLVKDONJSA-N -1 0 323.305 -0.439 20 0 DBADRM COC(=O)c1ccnc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])c1 ZINC001599004696 1017486642 /nfs/dbraw/zinc/48/66/42/1017486642.db2.gz PVJLRAADFNRBRJ-QMMMGPOBSA-N -1 0 320.298 -0.041 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)nn1 ZINC001599005600 1017486958 /nfs/dbraw/zinc/48/69/58/1017486958.db2.gz BPAZNASYKIJMHT-YGRLFVJLSA-N -1 0 322.321 -0.080 20 0 DBADRM COC(=O)c1cn([C@H]2CCN(C(=O)C3(C(=O)[O-])CC3)C2)nn1 ZINC001599006687 1017487032 /nfs/dbraw/zinc/48/70/32/1017487032.db2.gz VYQIHBQPBOVYQH-QMMMGPOBSA-N -1 0 308.294 -0.297 20 0 DBADRM COC(=O)c1cn(CC(=O)N[C@@]2(C(=O)[O-])CCSC2)nn1 ZINC001599008650 1017487092 /nfs/dbraw/zinc/48/70/92/1017487092.db2.gz SBAUQNVKTXCDEQ-NSHDSACASA-N -1 0 314.323 -0.859 20 0 DBADRM COC(=O)c1cnc(C(=O)Nc2ccn(CC(=O)[O-])n2)cn1 ZINC001599008380 1017487614 /nfs/dbraw/zinc/48/76/14/1017487614.db2.gz ZLWZALQFLIGPLW-UHFFFAOYSA-N -1 0 305.250 -0.203 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1Cc1cnc(C(=O)OC)cn1 ZINC001599007876 1017487691 /nfs/dbraw/zinc/48/76/91/1017487691.db2.gz ZSVXVYPPSIVWGI-UHFFFAOYSA-N -1 0 320.261 -0.007 20 0 DBADRM COC(=O)c1cn([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001599005477 1017487818 /nfs/dbraw/zinc/48/78/18/1017487818.db2.gz XNYMWCYVZXJNGR-KXUCPTDWSA-N -1 0 322.321 -0.051 20 0 DBADRM CO[C@@H](C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)c1cnn(C)c1 ZINC001599024324 1017488711 /nfs/dbraw/zinc/48/87/11/1017488711.db2.gz FOHHZQAVLVACHR-NWDGAFQWSA-N -1 0 311.338 -0.208 20 0 DBADRM COC(=O)c1conc1C(C)(C)NCCC(=O)NCC(=O)[O-] ZINC001599013100 1017488770 /nfs/dbraw/zinc/48/87/70/1017488770.db2.gz SYWVNFGZVRKBCY-UHFFFAOYSA-N -1 0 313.310 -0.123 20 0 DBADRM COC(=O)c1sccc1NC(=O)CN[C@](C)(CO)C(=O)[O-] ZINC001599024224 1017489294 /nfs/dbraw/zinc/48/92/94/1017489294.db2.gz XMXXQULUKRBJID-GFCCVEGCSA-N -1 0 316.335 -0.102 20 0 DBADRM COC(=O)c1cnn(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])c1 ZINC001599010996 1017490205 /nfs/dbraw/zinc/49/02/05/1017490205.db2.gz FOAHSMOVJWLXBR-JTQLQIEISA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)c1cncc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c1 ZINC001599011552 1017490555 /nfs/dbraw/zinc/49/05/55/1017490555.db2.gz ZHSXKPYTFPXPGI-VIFPVBQESA-N -1 0 300.292 -0.284 20 0 DBADRM COC(=O)c1coc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC001599012091 1017490625 /nfs/dbraw/zinc/49/06/25/1017490625.db2.gz ALDVLGSYANFHIE-MRVPVSSYSA-N -1 0 310.262 -0.519 20 0 DBADRM COC(C)(C)CN(C)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001599032826 1017491997 /nfs/dbraw/zinc/49/19/97/1017491997.db2.gz PCVOITHGCSTNOA-UWVGGRQHSA-N -1 0 316.354 -0.836 20 0 DBADRM COC(C)(C)[C@@H](C)NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599030757 1017492244 /nfs/dbraw/zinc/49/22/44/1017492244.db2.gz BDAFXVGXLFLDJX-AEJSXWLSSA-N -1 0 316.354 -0.383 20 0 DBADRM CO[C@H](C(=O)OC(C)(C)C)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001599028237 1017492419 /nfs/dbraw/zinc/49/24/19/1017492419.db2.gz AUELWPCEPUKYHH-AEJSXWLSSA-N -1 0 317.338 -0.220 20 0 DBADRM CO[C@](C)(CO)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001599035052 1017492469 /nfs/dbraw/zinc/49/24/69/1017492469.db2.gz RONGNWAKHRUQGJ-NSHDSACASA-N -1 0 307.324 -0.038 20 0 DBADRM COC(C)(C)[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599031119 1017492502 /nfs/dbraw/zinc/49/25/02/1017492502.db2.gz IJVYMBMHLLGTEO-ZJUUUORDSA-N -1 0 316.354 -0.382 20 0 DBADRM COC(C)(C)[C@@H](C)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001599030771 1017492511 /nfs/dbraw/zinc/49/25/11/1017492511.db2.gz BIKPLXCNBODDCW-BDAKNGLRSA-N -1 0 302.327 -0.772 20 0 DBADRM COC(C)(C)CN(C)C(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599032625 1017492828 /nfs/dbraw/zinc/49/28/28/1017492828.db2.gz AMJARHLCAGYIPL-NXEZZACHSA-N -1 0 316.354 -0.524 20 0 DBADRM CO[C@@](C)(CO)CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001599035040 1017493476 /nfs/dbraw/zinc/49/34/76/1017493476.db2.gz RGYBCZLOXYPYTA-SNVBAGLBSA-N -1 0 307.328 -0.908 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)CN1C(=O)CCC1=O)OC ZINC001599045901 1017494305 /nfs/dbraw/zinc/49/43/05/1017494305.db2.gz XIAPJLRQSZXNMB-UHFFFAOYSA-N -1 0 316.310 -0.942 20 0 DBADRM CO[C@H](C)CCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001599039346 1017495666 /nfs/dbraw/zinc/49/56/66/1017495666.db2.gz PKJDTGKXNPMSEQ-VDDIYKPWSA-N -1 0 307.368 -0.194 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)c1cc(C=O)n(C)n1)OC ZINC001599045203 1017496165 /nfs/dbraw/zinc/49/61/65/1017496165.db2.gz DYHNSISEXCIRNL-UHFFFAOYSA-N -1 0 313.310 -0.232 20 0 DBADRM CO[C@H](CS(=O)(=O)NC[C@@]1(C(=O)[O-])CCOC1)C1CC1 ZINC001599055115 1017497348 /nfs/dbraw/zinc/49/73/48/1017497348.db2.gz CAVMOCWYQMETCP-PWSUYJOCSA-N -1 0 307.368 -0.178 20 0 DBADRM CO[C@@H](CNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001599050950 1017497367 /nfs/dbraw/zinc/49/73/67/1017497367.db2.gz DIEIQFJWXYSISH-RHYQMDGZSA-N -1 0 316.354 -0.079 20 0 DBADRM CO[C@H](CS(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC001599055111 1017497749 /nfs/dbraw/zinc/49/77/49/1017497749.db2.gz BZDQYOKGXWQIBJ-VPOLOUISSA-N -1 0 307.368 -0.322 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)NCCCC(=O)[O-])C(F)(F)F ZINC001599048736 1017498211 /nfs/dbraw/zinc/49/82/11/1017498211.db2.gz APIKGFQUPDOBJH-LURJTMIESA-N -1 0 300.233 -0.339 20 0 DBADRM CO[C@H](CNC(=O)N1CCO[C@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001599053055 1017498254 /nfs/dbraw/zinc/49/82/54/1017498254.db2.gz WFMDRFSJIQILOQ-MXWKQRLJSA-N -1 0 302.327 -0.467 20 0 DBADRM CO[C@H](CNC(=O)N1CCO[C@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001599053052 1017498368 /nfs/dbraw/zinc/49/83/68/1017498368.db2.gz WFMDRFSJIQILOQ-AXFHLTTASA-N -1 0 302.327 -0.467 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-])C(C)C ZINC001599060756 1017500393 /nfs/dbraw/zinc/50/03/93/1017500393.db2.gz YQCNKPFDOPMSTH-GMTAPVOTSA-N -1 0 309.384 -0.103 20 0 DBADRM CO[C@@H](Cn1nnnc1N1CC[C@@](OC)(C(=O)[O-])C1)C1CC1 ZINC001599058183 1017500835 /nfs/dbraw/zinc/50/08/35/1017500835.db2.gz HALOROAIJOKSPR-GWCFXTLKSA-N -1 0 311.342 -0.222 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CC2CC1(C(=O)[O-])C2)[C@@H]1CCOC1 ZINC001599057072 1017500974 /nfs/dbraw/zinc/50/09/74/1017500974.db2.gz FQGJFWDZVAGMRK-ZUXSNHBTSA-N -1 0 319.379 -0.083 20 0 DBADRM CO[C@@]1(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001599062488 1017501297 /nfs/dbraw/zinc/50/12/97/1017501297.db2.gz PUENWVGROSVZDH-QWRGUYRKSA-N -1 0 309.315 -0.785 20 0 DBADRM COC1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)CS(=O)(=O)C1 ZINC001599063290 1017501723 /nfs/dbraw/zinc/50/17/23/1017501723.db2.gz FPBYHXPXSFGMQA-XAVMHZPKSA-N -1 0 303.336 -0.975 20 0 DBADRM CO[C@@]1(C(=O)Nc2cc(C(=O)[O-])no2)CCS(=O)(=O)C1 ZINC001599063551 1017502462 /nfs/dbraw/zinc/50/24/62/1017502462.db2.gz PZFBBXYLEPQUJQ-JTQLQIEISA-N -1 0 304.280 -0.485 20 0 DBADRM COC1(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)CS(=O)(=O)C1 ZINC001599065012 1017502571 /nfs/dbraw/zinc/50/25/71/1017502571.db2.gz RZZHJAQYIVAIIH-MRVPVSSYSA-N -1 0 319.360 -0.196 20 0 DBADRM CO[C@@]1(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CCS(=O)(=O)C1 ZINC001599063535 1017502667 /nfs/dbraw/zinc/50/26/67/1017502667.db2.gz PDFWGPOBGFWWDS-CWSCBRNRSA-N -1 0 319.379 -0.050 20 0 DBADRM CO[C@]1(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001599063507 1017502728 /nfs/dbraw/zinc/50/27/28/1017502728.db2.gz NCWBWWXVOPKSGO-FIDNZITISA-N -1 0 317.363 -0.440 20 0 DBADRM CO[C@]1(C(=O)Nc2cc(C(=O)[O-])no2)CCS(=O)(=O)C1 ZINC001599063552 1017502964 /nfs/dbraw/zinc/50/29/64/1017502964.db2.gz PZFBBXYLEPQUJQ-SNVBAGLBSA-N -1 0 304.280 -0.485 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCOC2)C1 ZINC001599064933 1017503130 /nfs/dbraw/zinc/50/31/30/1017503130.db2.gz DFAHZJJNQKKBOS-IMSIIYSGSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@](C)(O)C2)C1 ZINC001599065870 1017503579 /nfs/dbraw/zinc/50/35/79/1017503579.db2.gz JIFGCBMRJWMKFV-ZIAGYGMSSA-N -1 0 314.338 -0.938 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](C)CC2)C1 ZINC001599065520 1017503631 /nfs/dbraw/zinc/50/36/31/1017503631.db2.gz HHJJSJGSHAXPBG-IINYFYTJSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)C1 ZINC001599066439 1017503688 /nfs/dbraw/zinc/50/36/88/1017503688.db2.gz DXYAFURKMDESPM-BHDSKKPTSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@@]1(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001599063508 1017503738 /nfs/dbraw/zinc/50/37/38/1017503738.db2.gz NCWBWWXVOPKSGO-PSJXJDHFSA-N -1 0 317.363 -0.440 20 0 DBADRM CO[C@@]1(C(=O)NCC(C)(C)CC(=O)[O-])CCS(=O)(=O)C1 ZINC001599065348 1017503760 /nfs/dbraw/zinc/50/37/60/1017503760.db2.gz ZVKNIAYIPPUICV-LBPRGKRZSA-N -1 0 307.368 -0.193 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 ZINC001599065778 1017503769 /nfs/dbraw/zinc/50/37/69/1017503769.db2.gz MYXQHQWELGYREV-AMIZOPFISA-N -1 0 301.343 -0.229 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccnc(C)n2)C1 ZINC001599068903 1017504257 /nfs/dbraw/zinc/50/42/57/1017504257.db2.gz MKXWUUSEFCCCKQ-ZDUSSCGKSA-N -1 0 308.294 -0.574 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCCOC[C@H]2C)C1 ZINC001599067651 1017504337 /nfs/dbraw/zinc/50/43/37/1017504337.db2.gz UFMDZSIVGXFAHO-QMTHXVAHSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)Cc2ccon2)C1 ZINC001599068000 1017504395 /nfs/dbraw/zinc/50/43/95/1017504395.db2.gz KDAKZCUJCCVMSZ-ZDUSSCGKSA-N -1 0 311.294 -0.665 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2cccnc2)C1 ZINC001599068520 1017505226 /nfs/dbraw/zinc/50/52/26/1017505226.db2.gz PCFXWXGSUGBLSU-CQSZACIVSA-N -1 0 307.306 -0.487 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cc(C)nn2C)C1 ZINC001599068756 1017505583 /nfs/dbraw/zinc/50/55/83/1017505583.db2.gz LZCWVMXJIWQATC-ZDUSSCGKSA-N -1 0 310.310 -0.631 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccnc(C)n2)C1 ZINC001599068898 1017505800 /nfs/dbraw/zinc/50/58/00/1017505800.db2.gz MKXWUUSEFCCCKQ-CYBMUJFWSA-N -1 0 308.294 -0.574 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@]2(C)CC2(F)F)C1 ZINC001599067090 1017505976 /nfs/dbraw/zinc/50/59/76/1017505976.db2.gz QIINXAMKRJDGNU-RYUDHWBXSA-N -1 0 320.292 -0.150 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC=C(F)C2)C1 ZINC001599067028 1017506026 /nfs/dbraw/zinc/50/60/26/1017506026.db2.gz PQRRLWQKHRKHFU-ZDUSSCGKSA-N -1 0 300.286 -0.226 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@]2(C)CCCO2)C1 ZINC001599066826 1017506076 /nfs/dbraw/zinc/50/60/76/1017506076.db2.gz OHMIZVLRVOHMMN-KGLIPLIRSA-N -1 0 314.338 -0.626 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCN(C(C)C)C2=O)C1 ZINC001599072484 1017506535 /nfs/dbraw/zinc/50/65/35/1017506535.db2.gz NRBBJLHDWDRSBJ-IINYFYTJSA-N -1 0 313.354 -0.119 20 0 DBADRM COC1([C@H](C)NS(=O)(=O)N(C)CCC(=O)[O-])CCOCC1 ZINC001599083401 1017513184 /nfs/dbraw/zinc/51/31/84/1017513184.db2.gz IDWPLKDSLXLAEY-JTQLQIEISA-N -1 0 324.399 -0.189 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCc2ccncc2)C1 ZINC001599069738 1017507476 /nfs/dbraw/zinc/50/74/76/1017507476.db2.gz QFIOEBMJTATHRQ-OAHLLOKOSA-N -1 0 321.333 -0.558 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCc3nc(C)nn3C2)C1 ZINC001599073183 1017507778 /nfs/dbraw/zinc/50/77/78/1017507778.db2.gz VCTJGCJLLBSDSX-HZMBPMFUSA-N -1 0 323.353 -0.214 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)C1 ZINC001599071173 1017507832 /nfs/dbraw/zinc/50/78/32/1017507832.db2.gz RNPPTSKMKCOLIM-COPLHBTASA-N -1 0 315.370 -0.409 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnnn2CC2CCOCC2)C1 ZINC001599081707 1017508597 /nfs/dbraw/zinc/50/85/97/1017508597.db2.gz UNHSSPLBOXHLTO-ZDUSSCGKSA-N -1 0 311.342 -0.220 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(Cc2nnn(CC(F)(F)F)n2)C1 ZINC001599078803 1017508625 /nfs/dbraw/zinc/50/86/25/1017508625.db2.gz LUUBMMTUYQRRIZ-SECBINFHSA-N -1 0 309.248 -0.089 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnc(Cc3nccn3C)n2C)C1 ZINC001599079858 1017509313 /nfs/dbraw/zinc/50/93/13/1017509313.db2.gz AHDUICUTEHRUMJ-AWEZNQCLSA-N -1 0 320.353 -0.181 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnnn2CCOCC(F)F)C1 ZINC001599081690 1017509486 /nfs/dbraw/zinc/50/94/86/1017509486.db2.gz UCNZBMSAGMJFGE-NSHDSACASA-N -1 0 321.284 -0.365 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2Cc2ccc(F)cn2)C1 ZINC001599079913 1017510086 /nfs/dbraw/zinc/51/00/86/1017510086.db2.gz BTLDQDQCEKKXGX-CYBMUJFWSA-N -1 0 322.300 -0.065 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2cc(C)nc(S(C)(=O)=O)n2)C1 ZINC001599079001 1017510268 /nfs/dbraw/zinc/51/02/68/1017510268.db2.gz WHTVQDRKKWQSFI-GFCCVEGCSA-N -1 0 315.351 -0.132 20 0 DBADRM CO[C@]1(C(=O)OCC2(CC(=O)[O-])CC2)CCS(=O)(=O)C1 ZINC001599079898 1017511061 /nfs/dbraw/zinc/51/10/61/1017511061.db2.gz BKLLVPKGTHGWHC-GFCCVEGCSA-N -1 0 306.336 -0.012 20 0 DBADRM CO[C@]1(C(=O)OCCc2cn(CC(=O)[O-])nn2)CCSC1 ZINC001599081307 1017511296 /nfs/dbraw/zinc/51/12/96/1017511296.db2.gz NFHFUDHCMIGTPN-GFCCVEGCSA-N -1 0 315.351 -0.030 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCSC1 ZINC001599089341 1017512430 /nfs/dbraw/zinc/51/24/30/1017512430.db2.gz PTIRWDAKDXQDJL-JRKPZEMJSA-N -1 0 316.379 -0.396 20 0 DBADRM CO[C@@]1(CNS(=O)(=O)c2cc(C(=O)[O-])cn2C)CCOC1 ZINC001599090862 1017512709 /nfs/dbraw/zinc/51/27/09/1017512709.db2.gz RXOITGFGUZIYCR-GFCCVEGCSA-N -1 0 318.351 -0.193 20 0 DBADRM COC1(c2nccn2C)CN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001599092983 1017513228 /nfs/dbraw/zinc/51/32/28/1017513228.db2.gz NCMCWZASBFLEQD-UHFFFAOYSA-N -1 0 317.305 -0.094 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)NCCCCC(=O)[O-])CCOC1 ZINC001599089966 1017513465 /nfs/dbraw/zinc/51/34/65/1017513465.db2.gz WOARKIRJLQLJCR-ZDUSSCGKSA-N -1 0 302.327 -0.721 20 0 DBADRM CO[C@]1(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)CCOC1 ZINC001599090967 1017513486 /nfs/dbraw/zinc/51/34/86/1017513486.db2.gz WIGZKMXDGDOUOM-LBPRGKRZSA-N -1 0 307.368 -0.034 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])n2)CCOC1 ZINC001599088609 1017513594 /nfs/dbraw/zinc/51/35/94/1017513594.db2.gz DIXDQPFHEMAHHV-CQSZACIVSA-N -1 0 323.305 -0.360 20 0 DBADRM COC1(OC)CCOC[C@@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001599094237 1017515619 /nfs/dbraw/zinc/51/56/19/1017515619.db2.gz KQZGBASSXKIXPL-UTLUCORTSA-N -1 0 303.311 -0.487 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)CSCC(N)=O)C(=O)[O-])C1 ZINC001599105779 1017515632 /nfs/dbraw/zinc/51/56/32/1017515632.db2.gz HBGJGJCNAHFLDU-YGOYTEALSA-N -1 0 318.395 -0.021 20 0 DBADRM CO[C@]1(Cn2nnnc2N2CC[C@@H](C(=O)[O-])[C@@H]2C)CCOC1 ZINC001599096081 1017515781 /nfs/dbraw/zinc/51/57/81/1017515781.db2.gz QUNLQVQNTDYGBM-CWSCBRNRSA-N -1 0 311.342 -0.222 20 0 DBADRM CO[C@@H]1CCN(CC(=O)N=[S@@](C)(=O)N(C)C)[C@H](C(=O)[O-])C1 ZINC001599121540 1017518141 /nfs/dbraw/zinc/51/81/41/1017518141.db2.gz BQRMPTDTSAHSRQ-QONUSYMYSA-N -1 0 321.399 -0.349 20 0 DBADRM COC1CCN(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)CC1 ZINC001599122591 1017518234 /nfs/dbraw/zinc/51/82/34/1017518234.db2.gz DMRFXQRUXGQQPR-GFCCVEGCSA-N -1 0 322.383 -0.435 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)[C@H](C(=O)[O-])C1 ZINC001599117537 1017518905 /nfs/dbraw/zinc/51/89/05/1017518905.db2.gz IQJLNAZBVVFCCB-RGOKHQFPSA-N -1 0 300.311 -0.890 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)c2cn(C)c(C)n2)[C@H](C(=O)[O-])C1 ZINC001599126559 1017520913 /nfs/dbraw/zinc/52/09/13/1017520913.db2.gz JPWXOYKBLPITKU-UWVGGRQHSA-N -1 0 317.367 -0.019 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)c2cn(C)cn2)[C@H](C(=O)[O-])C1 ZINC001599127898 1017521321 /nfs/dbraw/zinc/52/13/21/1017521321.db2.gz ZLVNHKHEJHUUDK-IUCAKERBSA-N -1 0 303.340 -0.327 20 0 DBADRM COC1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)CC1 ZINC001599124815 1017521409 /nfs/dbraw/zinc/52/14/09/1017521409.db2.gz RWHYDIUSKXCZBF-MWLCHTKSSA-N -1 0 322.383 -0.484 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)[C@](C)(C(=O)[O-])C1 ZINC001599129792 1017521805 /nfs/dbraw/zinc/52/18/05/1017521805.db2.gz GSWLRMHGJCVISO-FZNYLWTLSA-N -1 0 324.337 -0.363 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCOC2)[C@@H](C(=O)[O-])C1 ZINC001599124240 1017521871 /nfs/dbraw/zinc/52/18/71/1017521871.db2.gz PRZNXUSOPVGEGD-GMTAPVOTSA-N -1 0 307.368 -0.083 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)N3CCN(CC(=O)[O-])CC3)nc2C1 ZINC001599126748 1017521882 /nfs/dbraw/zinc/52/18/82/1017521882.db2.gz AROIOIXSTSHKLM-LLVKDONJSA-N -1 0 322.365 -0.313 20 0 DBADRM CO[C@H]1CN(C(=O)Cc2nnc(N)s2)[C@@](C)(C(=O)[O-])C1 ZINC001599135205 1017522823 /nfs/dbraw/zinc/52/28/23/1017522823.db2.gz RTNUNQFZQUZKMV-KSBSHMNSSA-N -1 0 300.340 -0.247 20 0 DBADRM CO[C@H]1COCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001599137537 1017523986 /nfs/dbraw/zinc/52/39/86/1017523986.db2.gz CFRGFPLMCJLCQV-APPZFPTMSA-N -1 0 319.339 -0.562 20 0 DBADRM CO[C@H]1COCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001599137539 1017524170 /nfs/dbraw/zinc/52/41/70/1017524170.db2.gz CFRGFPLMCJLCQV-CBAPKCEASA-N -1 0 319.339 -0.562 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001599136942 1017524205 /nfs/dbraw/zinc/52/42/05/1017524205.db2.gz ASWCFPIHGMDHSU-MVWJERBFSA-N -1 0 311.338 -0.037 20 0 DBADRM CO[C@@H]1CN(c2nnnn2C[C@H]2CCOC2)[C@@](C)(C(=O)[O-])C1 ZINC001599136364 1017524474 /nfs/dbraw/zinc/52/44/74/1017524474.db2.gz FSVDYHKXYHLAQA-GBIKHYSHSA-N -1 0 311.342 -0.222 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cccnc2C(=O)[O-])CCO1 ZINC001599136678 1017524659 /nfs/dbraw/zinc/52/46/59/1017524659.db2.gz ODNFGUAEIGQJEP-VIFPVBQESA-N -1 0 302.308 -0.227 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001599140470 1017525907 /nfs/dbraw/zinc/52/59/07/1017525907.db2.gz SHFDWUNIHUUBDW-WRWGMCAJSA-N -1 0 301.339 -0.278 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccoc1CC(=O)[O-] ZINC001599140380 1017526689 /nfs/dbraw/zinc/52/66/89/1017526689.db2.gz OWHIHKPWLISINS-PSASIEDQSA-N -1 0 317.319 -0.552 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001599141473 1017527639 /nfs/dbraw/zinc/52/76/39/1017527639.db2.gz OMTXZVAJUFUQFJ-CYBMUJFWSA-N -1 0 310.306 -0.261 20 0 DBADRM COCC(=O)N(C)CC(=O)NC[C@H](Cc1ccncc1)C(=O)[O-] ZINC001599141281 1017527999 /nfs/dbraw/zinc/52/79/99/1017527999.db2.gz MHLFPXYQFPNDCN-LBPRGKRZSA-N -1 0 323.349 -0.454 20 0 DBADRM COCC(=O)NC1CCN(C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001599143398 1017528050 /nfs/dbraw/zinc/52/80/50/1017528050.db2.gz RIXWEYHHGUSFAK-ONGXEEELSA-N -1 0 313.354 -0.356 20 0 DBADRM CO[C@H]1COCC[C@@H]1N(C)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001599140634 1017528418 /nfs/dbraw/zinc/52/84/18/1017528418.db2.gz PWJQBAYZHWWYJM-VLEAKVRGSA-N -1 0 307.368 -0.085 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001599140817 1017528478 /nfs/dbraw/zinc/52/84/78/1017528478.db2.gz FOXHOSFXLHMZOQ-ZDUSSCGKSA-N -1 0 302.327 -0.769 20 0 DBADRM COCC(=O)NCCC(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC001599142360 1017528680 /nfs/dbraw/zinc/52/86/80/1017528680.db2.gz AICJHKWUMVLXPH-SECBINFHSA-N -1 0 315.351 -0.592 20 0 DBADRM COCC(=O)NC1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC001599142870 1017529145 /nfs/dbraw/zinc/52/91/45/1017529145.db2.gz MKDRIVVQLSDAIC-UHFFFAOYSA-N -1 0 310.350 -0.005 20 0 DBADRM COCC(=O)N(C)CC(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC001599142031 1017529278 /nfs/dbraw/zinc/52/92/78/1017529278.db2.gz WUSQNMRYFAVMDA-RNCFNFMXSA-N -1 0 302.327 -0.818 20 0 DBADRM COCC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001599142248 1017529296 /nfs/dbraw/zinc/52/92/96/1017529296.db2.gz AZWPKIYKFZVGCT-XEVUQIKYSA-N -1 0 305.352 -0.440 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CN1CCCCC(=O)C1=O ZINC001599146783 1017530034 /nfs/dbraw/zinc/53/00/34/1017530034.db2.gz CTBZFSMJIDPUEX-AWEZNQCLSA-N -1 0 314.338 -0.436 20 0 DBADRM COCC(C)(C)C(=O)NCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599143953 1017530075 /nfs/dbraw/zinc/53/00/75/1017530075.db2.gz MWFQACCLULNWLI-VHSXEESVSA-N -1 0 300.355 -0.046 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CCc2nnnn2CC1 ZINC001599146400 1017530194 /nfs/dbraw/zinc/53/01/94/1017530194.db2.gz UVFALNFAMKBZOT-TVQRCGJNSA-N -1 0 311.342 -0.378 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001599148322 1017530675 /nfs/dbraw/zinc/53/06/75/1017530675.db2.gz KHURGPDTPWCJLK-LBPRGKRZSA-N -1 0 315.282 -0.494 20 0 DBADRM COC[C@@](C)(O)C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001599156247 1017534717 /nfs/dbraw/zinc/53/47/17/1017534717.db2.gz DBNLQXRNDSJTCY-CYBMUJFWSA-N -1 0 303.311 -0.750 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CCS(=O)(=O)N(C)C ZINC001599147434 1017530939 /nfs/dbraw/zinc/53/09/39/1017530939.db2.gz WSMVJMVGRGHJOU-NSHDSACASA-N -1 0 310.372 -0.736 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001599145457 1017531056 /nfs/dbraw/zinc/53/10/56/1017531056.db2.gz AIRJUGIJINWVOL-XPTSAGLGSA-N -1 0 310.354 -0.084 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001599155887 1017532214 /nfs/dbraw/zinc/53/22/14/1017532214.db2.gz QOWBYCVCCLIDCD-GFCCVEGCSA-N -1 0 318.351 -0.236 20 0 DBADRM COC[C@](C)(NS(=O)(=O)[C@H]1CC[C@@H](C(=O)OC)C1)C(=O)[O-] ZINC001599155119 1017532369 /nfs/dbraw/zinc/53/23/69/1017532369.db2.gz JMGSQEDBXCLKKL-PTRXPTGYSA-N -1 0 323.367 -0.263 20 0 DBADRM COC[C@](C)(NC(=O)c1ccc(-c2nn[nH]n2)cn1)C(=O)[O-] ZINC001599152813 1017532378 /nfs/dbraw/zinc/53/23/78/1017532378.db2.gz XPHRJGDNBCYCCV-LBPRGKRZSA-N -1 0 306.282 -0.519 20 0 DBADRM COC/C(C)=C/C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001599155768 1017532469 /nfs/dbraw/zinc/53/24/69/1017532469.db2.gz MYHCCJHKZAUOBG-MTFKWKAUSA-N -1 0 305.352 -0.417 20 0 DBADRM COC[C@](C)(N[C@@H]1CCN(C2CCOCC2)C1=O)C(=O)[O-] ZINC001599154585 1017532636 /nfs/dbraw/zinc/53/26/36/1017532636.db2.gz OSOYUWRXHQNGCV-RISCZKNCSA-N -1 0 300.355 -0.154 20 0 DBADRM COC[C@@](C)(NC(=O)CCc1ocnc1C(=O)[O-])C(=O)OC ZINC001599153375 1017532674 /nfs/dbraw/zinc/53/26/74/1017532674.db2.gz UCBGLTVCSHJNBE-CYBMUJFWSA-N -1 0 314.294 0.000 20 0 DBADRM COC[C@](C)(NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001599151891 1017532803 /nfs/dbraw/zinc/53/28/03/1017532803.db2.gz UNTZNHSZTHELRV-XPTSAGLGSA-N -1 0 324.337 -0.621 20 0 DBADRM COC[C@](C)(NC(=O)CN1CCCCC(=O)C1=O)C(=O)[O-] ZINC001599153316 1017532872 /nfs/dbraw/zinc/53/28/72/1017532872.db2.gz OLTVIICHJOGFBB-ZDUSSCGKSA-N -1 0 300.311 -0.826 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001599156172 1017532915 /nfs/dbraw/zinc/53/29/15/1017532915.db2.gz BECAIOVBBWRMTD-LLVKDONJSA-N -1 0 306.340 -0.601 20 0 DBADRM COC[C@](C)(NCC(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC001599154560 1017533074 /nfs/dbraw/zinc/53/30/74/1017533074.db2.gz NTGUXBPMSPXNNS-ZDUSSCGKSA-N -1 0 316.354 -0.569 20 0 DBADRM COC[C@](C)(NC(=O)c1cn(C)c2c(cnn2C)c1=O)C(=O)[O-] ZINC001599153159 1017533176 /nfs/dbraw/zinc/53/31/76/1017533176.db2.gz ZPADONLJAYFOMF-AWEZNQCLSA-N -1 0 322.321 -0.509 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CC(F)(F)C[C@H]1C(=O)[O-] ZINC001599160109 1017534057 /nfs/dbraw/zinc/53/40/57/1017534057.db2.gz GRLXVMUWLFRBCE-SFYZADRCSA-N -1 0 323.296 -0.359 20 0 DBADRM COC[C@@](C)(O)CCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001599156731 1017534356 /nfs/dbraw/zinc/53/43/56/1017534356.db2.gz PBKLTLQINNROIV-NSHDSACASA-N -1 0 306.340 -0.221 20 0 DBADRM COC[C@@](C)(O)CCNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001599156642 1017534799 /nfs/dbraw/zinc/53/47/99/1017534799.db2.gz NJIJZETYAITASY-NSHDSACASA-N -1 0 309.384 -0.052 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599158053 1017535329 /nfs/dbraw/zinc/53/53/29/1017535329.db2.gz ABTSKIDAHXKRPT-KCJUWKMLSA-N -1 0 306.340 -0.344 20 0 DBADRM COC[C@@](C)(O)CCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001599157309 1017535441 /nfs/dbraw/zinc/53/54/41/1017535441.db2.gz YZSWEFDFOPQQQS-JTQLQIEISA-N -1 0 324.380 -0.093 20 0 DBADRM COC[C@H](CN1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O)OC ZINC001599163369 1017536823 /nfs/dbraw/zinc/53/68/23/1017536823.db2.gz GWTDRNNIQYTTJC-UTLUCORTSA-N -1 0 300.311 -0.225 20 0 DBADRM COC[C@H](CCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)OC ZINC001599162836 1017537090 /nfs/dbraw/zinc/53/70/90/1017537090.db2.gz LUMIOFFHSREGCM-HZMBPMFUSA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@@H](NC(=O)[C@@]1(C)Oc2ccccc2NC1=O)C(=O)[O-] ZINC001599165173 1017537130 /nfs/dbraw/zinc/53/71/30/1017537130.db2.gz BLQXGBNXJXGLJF-OTYXRUKQSA-N -1 0 308.290 -0.008 20 0 DBADRM COCC(COC)N1CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC001599165534 1017537149 /nfs/dbraw/zinc/53/71/49/1017537149.db2.gz VHDOVVLNJLSHHN-NSHDSACASA-N -1 0 302.371 -0.097 20 0 DBADRM COC[C@H](CCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-])OC ZINC001599162804 1017537173 /nfs/dbraw/zinc/53/71/73/1017537173.db2.gz KSCGTWIKIOASEY-QWRGUYRKSA-N -1 0 316.354 -0.380 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CCOC[C@H]1CC(=O)[O-] ZINC001599162402 1017537264 /nfs/dbraw/zinc/53/72/64/1017537264.db2.gz VWAQUIBTHBWDSJ-VHSXEESVSA-N -1 0 317.342 -0.977 20 0 DBADRM COC[C@H](NC(=O)[C@@]1(C)Oc2ccccc2NC1=O)C(=O)[O-] ZINC001599165174 1017537443 /nfs/dbraw/zinc/53/74/43/1017537443.db2.gz BLQXGBNXJXGLJF-XPTSAGLGSA-N -1 0 308.290 -0.008 20 0 DBADRM COCC(COC)N1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001599164037 1017538043 /nfs/dbraw/zinc/53/80/43/1017538043.db2.gz DMJYBHUNOKATGM-UHFFFAOYSA-N -1 0 310.354 -0.042 20 0 DBADRM COC[C@H](CCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)OC ZINC001599162837 1017538414 /nfs/dbraw/zinc/53/84/14/1017538414.db2.gz LUMIOFFHSREGCM-IINYFYTJSA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@@H](CS(=O)(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F)OC ZINC001599166106 1017539935 /nfs/dbraw/zinc/53/99/35/1017539935.db2.gz XULVJWROQFFXHM-XLPZGREQSA-N -1 0 317.310 -0.467 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1)C(=O)[O-] ZINC001599167575 1017539160 /nfs/dbraw/zinc/53/91/60/1017539160.db2.gz SYCWLHRSUWVPPV-WDEREUQCSA-N -1 0 310.310 -0.563 20 0 DBADRM COC[C@@H](CS(=O)(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])OC ZINC001599166914 1017539527 /nfs/dbraw/zinc/53/95/27/1017539527.db2.gz QLRPXYSNHQBGPS-SCVCMEIPSA-N -1 0 307.368 -0.083 20 0 DBADRM COC[C@@H](NC(=O)CCCNC(=O)c1cccnc1)C(=O)[O-] ZINC001599166851 1017539633 /nfs/dbraw/zinc/53/96/33/1017539633.db2.gz HHXCSUZXFHMZGW-LLVKDONJSA-N -1 0 309.322 -0.193 20 0 DBADRM COC[C@H](NC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)[O-] ZINC001599167144 1017540131 /nfs/dbraw/zinc/54/01/31/1017540131.db2.gz IEZQLUDUNKPRDS-GXSJLCMTSA-N -1 0 308.290 -0.008 20 0 DBADRM COCC(COC)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001599166140 1017540340 /nfs/dbraw/zinc/54/03/40/1017540340.db2.gz YYSKONLIUFUKGE-CQSZACIVSA-N -1 0 302.371 -0.491 20 0 DBADRM COC[C@@H](CS(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1)OC ZINC001599165918 1017540478 /nfs/dbraw/zinc/54/04/78/1017540478.db2.gz VPFOXOSENJRALV-ONGXEEELSA-N -1 0 311.356 -0.799 20 0 DBADRM COC[C@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)C(=O)OC ZINC001599168645 1017540970 /nfs/dbraw/zinc/54/09/70/1017540970.db2.gz GTMDAYUCFDONBZ-JTQLQIEISA-N -1 0 313.310 -0.334 20 0 DBADRM COC[C@H](NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C1CC1 ZINC001599169165 1017541034 /nfs/dbraw/zinc/54/10/34/1017541034.db2.gz KBKUZXZWFCWPHV-MIMYLULJSA-N -1 0 314.338 -0.772 20 0 DBADRM COC[C@@H](NC(=O)CCOc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC001599169053 1017541543 /nfs/dbraw/zinc/54/15/43/1017541543.db2.gz PQJHDQFNZJAHQA-LLVKDONJSA-N -1 0 310.306 -0.230 20 0 DBADRM COC[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-] ZINC001599169789 1017541902 /nfs/dbraw/zinc/54/19/02/1017541902.db2.gz HGNVTIGWKWMJRX-LLVKDONJSA-N -1 0 305.290 -0.388 20 0 DBADRM COC[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@H]1CCCO1 ZINC001599169423 1017541959 /nfs/dbraw/zinc/54/19/59/1017541959.db2.gz LIQAKRGAYDEMIP-XWLWVQCSSA-N -1 0 314.338 -0.724 20 0 DBADRM COC[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@@H]1CCCO1 ZINC001599169420 1017542342 /nfs/dbraw/zinc/54/23/42/1017542342.db2.gz LIQAKRGAYDEMIP-NAKRPEOUSA-N -1 0 314.338 -0.724 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccn1)C(=O)OC ZINC001599176791 1017543244 /nfs/dbraw/zinc/54/32/44/1017543244.db2.gz CUWDAWJKSOJMKF-QMMMGPOBSA-N -1 0 318.307 -0.754 20 0 DBADRM COC[C@H](NC(=O)c1csc(S(C)(=O)=O)c1)C(=O)[O-] ZINC001599176005 1017544285 /nfs/dbraw/zinc/54/42/85/1017544285.db2.gz UBBRECBCDVXZJC-ZETCQYMHSA-N -1 0 307.349 -0.019 20 0 DBADRM COC[C@H](OC(=O)CSc1nnnn1C1CC1)C(=O)[O-] ZINC001599179785 1017544375 /nfs/dbraw/zinc/54/43/75/1017544375.db2.gz AVGOTDGTDDBMCL-ZETCQYMHSA-N -1 0 302.312 -0.257 20 0 DBADRM COC[C@H](NC(=O)c1oc(S(N)(=O)=O)cc1C)C(=O)[O-] ZINC001599176159 1017544431 /nfs/dbraw/zinc/54/44/31/1017544431.db2.gz XAEUVEQGIAPXHJ-LURJTMIESA-N -1 0 306.296 -0.935 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)C(=O)OC ZINC001599178077 1017545066 /nfs/dbraw/zinc/54/50/66/1017545066.db2.gz IYOYYCNXAMHKSR-VIFPVBQESA-N -1 0 318.307 -0.754 20 0 DBADRM COC[C@@H](OC)C(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001599187075 1017545917 /nfs/dbraw/zinc/54/59/17/1017545917.db2.gz NHAFSMKDJGQIJI-MWLCHTKSSA-N -1 0 317.338 -0.097 20 0 DBADRM COCC1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CC1 ZINC001599186801 1017545966 /nfs/dbraw/zinc/54/59/66/1017545966.db2.gz OSGNKXCTTUAEPO-QPUJVOFHSA-N -1 0 305.352 -0.583 20 0 DBADRM COC[C@@H](OC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)C(=O)[O-] ZINC001599182700 1017546166 /nfs/dbraw/zinc/54/61/66/1017546166.db2.gz HTEICYBRBQNDCM-LLVKDONJSA-N -1 0 321.289 -0.173 20 0 DBADRM COC[C@@H](OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)[O-] ZINC001599180655 1017546605 /nfs/dbraw/zinc/54/66/05/1017546605.db2.gz PPAPHPVJAUAREQ-OQPBUACISA-N -1 0 314.294 -0.650 20 0 DBADRM COC[C@H](OC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(=O)[O-] ZINC001599181876 1017546696 /nfs/dbraw/zinc/54/66/96/1017546696.db2.gz XNPICTWRXFDBIM-AEJSXWLSSA-N -1 0 311.290 -0.420 20 0 DBADRM COCC1(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])CCOCC1 ZINC001599184527 1017547021 /nfs/dbraw/zinc/54/70/21/1017547021.db2.gz PQOHYMVAPVPXSA-SNVBAGLBSA-N -1 0 317.338 -0.238 20 0 DBADRM COC[C@]1(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CCOC1 ZINC001599183671 1017547076 /nfs/dbraw/zinc/54/70/76/1017547076.db2.gz ILZHTOWVWJQBSW-QMTHXVAHSA-N -1 0 317.338 -0.238 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)Cn1cc([C@H](C)O)nn1 ZINC001599190296 1017549186 /nfs/dbraw/zinc/54/91/86/1017549186.db2.gz KVMQXTDSGZYKJC-ZANVPECISA-N -1 0 312.326 -0.576 20 0 DBADRM COCC[C@@H](NC(=O)[C@@H](C)Sc1nncn1C)C(=O)[O-] ZINC001599212809 1017554852 /nfs/dbraw/zinc/55/48/52/1017554852.db2.gz IRLZLZVHDRAGCN-HTQZYQBOSA-N -1 0 302.356 -0.098 20 0 DBADRM COC[C@@]1(CO)CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C1 ZINC001599200227 1017550651 /nfs/dbraw/zinc/55/06/51/1017550651.db2.gz CCJHJLFSJLKZGK-DOMZBBRYSA-N -1 0 316.398 -0.067 20 0 DBADRM COCC1(CS(=O)(=O)N2CCN(CC(=O)[O-])CC2)CCC1 ZINC001599201390 1017551121 /nfs/dbraw/zinc/55/11/21/1017551121.db2.gz UICORFJEYZEYBB-UHFFFAOYSA-N -1 0 320.411 -0.165 20 0 DBADRM COCC1(NC(=O)C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CC1 ZINC001599199963 1017551189 /nfs/dbraw/zinc/55/11/89/1017551189.db2.gz BRWUQHSQVKDWNL-UHFFFAOYSA-N -1 0 324.337 -0.064 20 0 DBADRM COCC1(S(=O)(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])CC1 ZINC001599202217 1017551298 /nfs/dbraw/zinc/55/12/98/1017551298.db2.gz XZFHYQCLIVZEOR-LLVKDONJSA-N -1 0 317.367 -0.175 20 0 DBADRM COCC1(CNC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC001599198145 1017551747 /nfs/dbraw/zinc/55/17/47/1017551747.db2.gz LVZZLVJKZACPGJ-JTQLQIEISA-N -1 0 314.338 -0.769 20 0 DBADRM COCCC(=O)N1CCO[C@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001599207253 1017552715 /nfs/dbraw/zinc/55/27/15/1017552715.db2.gz ITJRCAMXFQYDQN-SNVBAGLBSA-N -1 0 324.337 -0.728 20 0 DBADRM COCC[C@@H](COC)NC(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001599211538 1017556244 /nfs/dbraw/zinc/55/62/44/1017556244.db2.gz LSPFMRNWHYNJDU-DCAQKATOSA-N -1 0 304.343 -0.173 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CCO1 ZINC001599206658 1017552954 /nfs/dbraw/zinc/55/29/54/1017552954.db2.gz PHDKNMGEYORPKH-WDEREUQCSA-N -1 0 312.322 -0.850 20 0 DBADRM COC[C@H]1CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CCO1 ZINC001599204992 1017553336 /nfs/dbraw/zinc/55/33/36/1017553336.db2.gz GUWYEBIEOKBHMD-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@H]1CCN(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])C1 ZINC001599205852 1017553401 /nfs/dbraw/zinc/55/34/01/1017553401.db2.gz WPTFLSXJVWPCLV-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM COC[C@@H]1CNCCN1S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001599206559 1017553846 /nfs/dbraw/zinc/55/38/46/1017553846.db2.gz BSNDVLJBEBHZOH-SDDRHHMPSA-N -1 0 320.411 -0.120 20 0 DBADRM COCC[C@@H](COC)NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599211358 1017555149 /nfs/dbraw/zinc/55/51/49/1017555149.db2.gz KKGDNOVHMJWWER-VWYCJHECSA-N -1 0 304.343 -0.079 20 0 DBADRM COCC[C@@H](NC(=O)C(C)(C)S(=O)(=O)C1CC1)C(=O)[O-] ZINC001599212170 1017555162 /nfs/dbraw/zinc/55/51/62/1017555162.db2.gz FMQSJOXMFIMKLT-SECBINFHSA-N -1 0 307.368 -0.052 20 0 DBADRM COCC[C@H](COC)NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599211356 1017555198 /nfs/dbraw/zinc/55/51/98/1017555198.db2.gz KKGDNOVHMJWWER-MXWKQRLJSA-N -1 0 304.343 -0.079 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001599211412 1017555203 /nfs/dbraw/zinc/55/52/03/1017555203.db2.gz HUDVEZADPHTBBA-IUCAKERBSA-N -1 0 308.356 -0.984 20 0 DBADRM COC[C@@H]1CNCCN1S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001599208451 1017555390 /nfs/dbraw/zinc/55/53/90/1017555390.db2.gz UQUJYSMJWUAPFI-JTQLQIEISA-N -1 0 315.351 -0.611 20 0 DBADRM COC[C@H]1CNCCN1S(=O)(=O)c1occc1C(=O)[O-] ZINC001599208593 1017555495 /nfs/dbraw/zinc/55/54/95/1017555495.db2.gz WHOQOZGIRJQHBP-MRVPVSSYSA-N -1 0 304.324 -0.413 20 0 DBADRM COCC[C@H](COC)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599212382 1017555793 /nfs/dbraw/zinc/55/57/93/1017555793.db2.gz UJEYVCITTASUJC-LPEHRKFASA-N -1 0 319.358 -0.685 20 0 DBADRM COCC[C@H](C)NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599210329 1017555904 /nfs/dbraw/zinc/55/59/04/1017555904.db2.gz IREXPAMOTWWCMC-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM COCC[C@H](C)NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001599210150 1017555982 /nfs/dbraw/zinc/55/59/82/1017555982.db2.gz CSTHSNZTVRMCMZ-IVZWLZJFSA-N -1 0 302.327 -0.772 20 0 DBADRM COCC[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)C)C(=O)[O-] ZINC001599214349 1017556064 /nfs/dbraw/zinc/55/60/64/1017556064.db2.gz UNTUJYOKPWGPPK-RKDXNWHRSA-N -1 0 310.372 -0.834 20 0 DBADRM COCC[C@H](NC(=O)COCc1nnc(C)s1)C(=O)[O-] ZINC001599214162 1017556231 /nfs/dbraw/zinc/55/62/31/1017556231.db2.gz DAJDJNPIUDTKSM-QMMMGPOBSA-N -1 0 303.340 -0.031 20 0 DBADRM COCC[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1)C(N)=O ZINC001599211690 1017556300 /nfs/dbraw/zinc/55/63/00/1017556300.db2.gz AHMXJVSTPMZZEM-SNVBAGLBSA-N -1 0 323.305 -0.670 20 0 DBADRM COCC[C@@H](COC)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599211542 1017556398 /nfs/dbraw/zinc/55/63/98/1017556398.db2.gz LSPFMRNWHYNJDU-OUAUKWLOSA-N -1 0 304.343 -0.173 20 0 DBADRM COCCC1(Cn2nnnc2N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC001599220266 1017557074 /nfs/dbraw/zinc/55/70/74/1017557074.db2.gz WTBXAHIECLAKGK-JTQLQIEISA-N -1 0 311.342 -0.220 20 0 DBADRM COCCC1(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC001599218257 1017557680 /nfs/dbraw/zinc/55/76/80/1017557680.db2.gz KWBJMCJVYLJACP-SNVBAGLBSA-N -1 0 314.338 -0.769 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC ZINC001599219634 1017558025 /nfs/dbraw/zinc/55/80/25/1017558025.db2.gz TUOUJSBSBBYKLP-QMMMGPOBSA-N -1 0 321.307 -0.166 20 0 DBADRM COCC[C@@H](NC(=O)C1=C(C)OCCS1(=O)=O)C(=O)[O-] ZINC001599215382 1017558297 /nfs/dbraw/zinc/55/82/97/1017558297.db2.gz LLYBXNOHECDEAM-MRVPVSSYSA-N -1 0 307.324 -0.731 20 0 DBADRM COCC[C@@H](NC(=O)c1cncc(-n2ccnn2)c1)C(=O)[O-] ZINC001599217421 1017558784 /nfs/dbraw/zinc/55/87/84/1017558784.db2.gz GASGUUPFUXTWGQ-LLVKDONJSA-N -1 0 305.294 -0.118 20 0 DBADRM COCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001599227590 1017560027 /nfs/dbraw/zinc/56/00/27/1017560027.db2.gz WQNAEEHXPHJCAX-VIFPVBQESA-N -1 0 308.356 -0.982 20 0 DBADRM COCCCOCC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001599226245 1017561385 /nfs/dbraw/zinc/56/13/85/1017561385.db2.gz JVDOKWKRPUMRDF-UHFFFAOYSA-N -1 0 323.367 -0.812 20 0 DBADRM COCCCN(CCO)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001599221946 1017561470 /nfs/dbraw/zinc/56/14/70/1017561470.db2.gz JAYMAJKQYXNXDG-UHFFFAOYSA-N -1 0 318.351 -0.201 20 0 DBADRM COCCCCCNC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001599224219 1017561723 /nfs/dbraw/zinc/56/17/23/1017561723.db2.gz WXPQVPFCVNYFGP-GHMZBOCLSA-N -1 0 316.354 -0.380 20 0 DBADRM COCCCOCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001599226993 1017561729 /nfs/dbraw/zinc/56/17/29/1017561729.db2.gz NGVFPWLVLROMDH-GHMZBOCLSA-N -1 0 314.338 -0.913 20 0 DBADRM COCCN(C)Cc1cn(Cc2cnc(C(=O)[O-])cn2)nn1 ZINC001599232830 1017563313 /nfs/dbraw/zinc/56/33/13/1017563313.db2.gz ZYHJCQOCECIBTO-UHFFFAOYSA-N -1 0 306.326 -0.107 20 0 DBADRM COCCCn1cc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cn1 ZINC001599230366 1017563364 /nfs/dbraw/zinc/56/33/64/1017563364.db2.gz SGWYXMZUGCFLEX-LLVKDONJSA-N -1 0 324.337 -0.713 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001599232237 1017563846 /nfs/dbraw/zinc/56/38/46/1017563846.db2.gz PWYYZBFFVFJUNW-SECBINFHSA-N -1 0 312.413 -0.441 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)Cn1nnnc1-c1ccccc1 ZINC001599234178 1017563936 /nfs/dbraw/zinc/56/39/36/1017563936.db2.gz NRXAFTMSFRIEQR-UHFFFAOYSA-N -1 0 319.321 -0.100 20 0 DBADRM COCCN([C@@H](C)C(N)=O)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001599232926 1017564494 /nfs/dbraw/zinc/56/44/94/1017564494.db2.gz XWYXPAZTVQOZRR-VIFPVBQESA-N -1 0 322.383 -0.607 20 0 DBADRM COCCN(C)C(=O)C(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001599232585 1017565039 /nfs/dbraw/zinc/56/50/39/1017565039.db2.gz NTRHUZBIBLBBED-UHFFFAOYSA-N -1 0 311.338 -0.247 20 0 DBADRM COCCCn1nc(C(=O)NC2CC(C(=O)[O-])C2)ccc1=O ZINC001599229552 1017565198 /nfs/dbraw/zinc/56/51/98/1017565198.db2.gz QXYUJLIYNDNIKD-UHFFFAOYSA-N -1 0 309.322 -0.127 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001599235435 1017565932 /nfs/dbraw/zinc/56/59/32/1017565932.db2.gz ORQDCTGWSZNTQE-LLVKDONJSA-N -1 0 302.327 -0.817 20 0 DBADRM COCCN(CCC(=O)[O-])CC(=O)N[C@H](C)C(=O)N(C)C ZINC001599236189 1017566330 /nfs/dbraw/zinc/56/63/30/1017566330.db2.gz PSSIHDGXSRCIRX-SNVBAGLBSA-N -1 0 303.359 -0.998 20 0 DBADRM COCCN(CC(F)F)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001599235317 1017566369 /nfs/dbraw/zinc/56/63/69/1017566369.db2.gz RTKCYCRUJUGXLC-UHFFFAOYSA-N -1 0 321.284 -0.101 20 0 DBADRM COCCNC(=O)CN1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001599242634 1017567177 /nfs/dbraw/zinc/56/71/77/1017567177.db2.gz ROAZLDIGYSARJX-UHFFFAOYSA-N -1 0 323.353 -0.941 20 0 DBADRM COCCN1C[C@H](C(=O)OCc2cnc(C(=O)[O-])cn2)CC1=O ZINC001599240627 1017567763 /nfs/dbraw/zinc/56/77/63/1017567763.db2.gz RSEPFBXAJLEPBI-SECBINFHSA-N -1 0 323.305 -0.287 20 0 DBADRM COCCN1C[C@@H](C(=O)OCc2oncc2C(=O)[O-])CC1=O ZINC001599240903 1017567815 /nfs/dbraw/zinc/56/78/15/1017567815.db2.gz UKGWZCOENVOOTQ-QMMMGPOBSA-N -1 0 312.278 -0.089 20 0 DBADRM COCCN1CCN(C(=O)Nc2cc(C(=O)[O-])n(C)n2)CC1 ZINC001599240398 1017569492 /nfs/dbraw/zinc/56/94/92/1017569492.db2.gz LHQZYDCJZUKADV-UHFFFAOYSA-N -1 0 311.342 -0.086 20 0 DBADRM COCCNC(=O)[C@H](CC(C)C)NC(=O)NC[C@H](F)C(=O)[O-] ZINC001599242731 1017569541 /nfs/dbraw/zinc/56/95/41/1017569541.db2.gz FRXARHOKCHVMPD-UWVGGRQHSA-N -1 0 321.349 -0.114 20 0 DBADRM COCCN1CN(C(=O)Nc2cc(C(=O)[O-])nn2C)CC1=O ZINC001599242658 1017569759 /nfs/dbraw/zinc/56/97/59/1017569759.db2.gz FTRNPQQUCQEHCL-UHFFFAOYSA-N -1 0 311.298 -0.602 20 0 DBADRM COCCOC1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001599250128 1017570790 /nfs/dbraw/zinc/57/07/90/1017570790.db2.gz RLKILBAVTBVZOG-UHFFFAOYSA-N -1 0 307.368 -0.082 20 0 DBADRM COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1C ZINC001599249667 1017570913 /nfs/dbraw/zinc/57/09/13/1017570913.db2.gz ZNWQORLRUCHRGD-VHSXEESVSA-N -1 0 314.342 -0.171 20 0 DBADRM COCCOC1CN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001599248483 1017571264 /nfs/dbraw/zinc/57/12/64/1017571264.db2.gz ATUAYQRDOXDOTJ-UHFFFAOYSA-N -1 0 316.335 -0.184 20 0 DBADRM COCCO[C@H]1COCC[C@H]1NC(=O)c1cc(C(=O)[O-])no1 ZINC001599249006 1017571367 /nfs/dbraw/zinc/57/13/67/1017571367.db2.gz GKEFJEKIHSUWPH-KCJUWKMLSA-N -1 0 314.294 -0.077 20 0 DBADRM COCCO[C@H](C)c1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1C ZINC001599249664 1017571409 /nfs/dbraw/zinc/57/14/09/1017571409.db2.gz ZNWQORLRUCHRGD-NXEZZACHSA-N -1 0 314.342 -0.171 20 0 DBADRM COCCOC[C@@H](C)NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599249782 1017572028 /nfs/dbraw/zinc/57/20/28/1017572028.db2.gz NWPTVPKJHIWZTJ-PWSUYJOCSA-N -1 0 318.370 -0.095 20 0 DBADRM COCCOCC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001599248439 1017572036 /nfs/dbraw/zinc/57/20/36/1017572036.db2.gz YCSBEEMUMBOMLE-SNVBAGLBSA-N -1 0 324.337 -0.728 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001599251806 1017573960 /nfs/dbraw/zinc/57/39/60/1017573960.db2.gz ZSRSFRQGKKWWPB-UWVGGRQHSA-N -1 0 302.327 -0.913 20 0 DBADRM COCCOc1cc(C(=O)N2CCN(CC(=O)[O-])CC2)ccn1 ZINC001599254181 1017574106 /nfs/dbraw/zinc/57/41/06/1017574106.db2.gz MWLWPXABTNQWGB-UHFFFAOYSA-N -1 0 323.349 -0.051 20 0 DBADRM COCCOCCS(=O)(=O)NCc1nc(C(=O)[O-])co1 ZINC001599251310 1017574255 /nfs/dbraw/zinc/57/42/55/1017574255.db2.gz CBDCXKZXZMQKQY-UHFFFAOYSA-N -1 0 308.312 -0.545 20 0 DBADRM COCCOCCC(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599251158 1017574763 /nfs/dbraw/zinc/57/47/63/1017574763.db2.gz YHFZUJWRODKEIK-QWRGUYRKSA-N -1 0 314.338 -0.913 20 0 DBADRM COCCOCCS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599251838 1017574937 /nfs/dbraw/zinc/57/49/37/1017574937.db2.gz RMWPDRYIBTUPMM-ZJUUUORDSA-N -1 0 311.356 -0.847 20 0 DBADRM COCCn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1C(C)(C)O ZINC001599267891 1017576464 /nfs/dbraw/zinc/57/64/64/1017576464.db2.gz JXCPRGYGMXZUES-VIFPVBQESA-N -1 0 314.342 -0.558 20 0 DBADRM COCCc1noc(CN(C)CN2C[C@H](C(=O)[O-])CC2=O)n1 ZINC001599264830 1017576633 /nfs/dbraw/zinc/57/66/33/1017576633.db2.gz IWJIHIRFYHYPIS-SECBINFHSA-N -1 0 312.326 -0.419 20 0 DBADRM COCCc1cc(NC(=O)NC[C@H](O)CC(=O)[O-])n(C)n1 ZINC001599266684 1017577042 /nfs/dbraw/zinc/57/70/42/1017577042.db2.gz WTJBBTFZSZJOAY-SECBINFHSA-N -1 0 300.315 -0.434 20 0 DBADRM CON(C(=O)CN(C)CC(=O)NC(C)C)[C@H](C)CC(=O)[O-] ZINC001599309849 1017586543 /nfs/dbraw/zinc/58/65/43/1017586543.db2.gz LTIHHYLWUVDSTH-SNVBAGLBSA-N -1 0 303.359 -0.304 20 0 DBADRM COCCn1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(=O)cc1C ZINC001599272639 1017577796 /nfs/dbraw/zinc/57/77/96/1017577796.db2.gz WHPTXVHPTQXGHP-CYBMUJFWSA-N -1 0 324.333 -0.271 20 0 DBADRM COCCn1ccc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])n1 ZINC001599271662 1017577816 /nfs/dbraw/zinc/57/78/16/1017577816.db2.gz NSPOXFCMCYZKSF-LLVKDONJSA-N -1 0 307.310 -0.322 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cn1 ZINC001599272461 1017577872 /nfs/dbraw/zinc/57/78/72/1017577872.db2.gz XEUYYURWGWTRRO-SNVBAGLBSA-N -1 0 322.321 -0.242 20 0 DBADRM COC[C@@H](O)CNS(=O)(=O)c1cc(OC)ccc1C(=O)[O-] ZINC001599275969 1017577950 /nfs/dbraw/zinc/57/79/50/1017577950.db2.gz KEUIIXTVYAKDGB-QMMMGPOBSA-N -1 0 319.335 -0.321 20 0 DBADRM COCCn1ccc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)n1 ZINC001599272922 1017578219 /nfs/dbraw/zinc/57/82/19/1017578219.db2.gz ONIWBMDGOTYUIU-CQSZACIVSA-N -1 0 322.321 -0.025 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@@H]2CC[C@@H]2C(=O)[O-])cn1 ZINC001599272916 1017579167 /nfs/dbraw/zinc/57/91/67/1017579167.db2.gz NYFIUELJJCSNJV-VHSXEESVSA-N -1 0 303.340 -0.329 20 0 DBADRM COCCn1cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cn1 ZINC001599271577 1017579328 /nfs/dbraw/zinc/57/93/28/1017579328.db2.gz MKRZBSPNODWFDY-NSHDSACASA-N -1 0 307.310 -0.322 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@H](C)/C=C/C(=O)[O-])cn1 ZINC001599272752 1017579507 /nfs/dbraw/zinc/57/95/07/1017579507.db2.gz DPAYOSMNNBXWKI-CDAZIORVSA-N -1 0 303.340 -0.163 20 0 DBADRM COCCn1cc(NC(=O)NC[C@H](O)CC(=O)[O-])ccc1=O ZINC001599271849 1017579628 /nfs/dbraw/zinc/57/96/28/1017579628.db2.gz QPAADGFXZKTIPU-SNVBAGLBSA-N -1 0 313.310 -0.548 20 0 DBADRM CON(C)C(=O)[C@H](C)NS(=O)(=O)c1csnc1C(=O)[O-] ZINC001599314534 1017587256 /nfs/dbraw/zinc/58/72/56/1017587256.db2.gz GPMWEMPYGLDLCC-YFKPBYRVSA-N -1 0 323.352 -0.472 20 0 DBADRM COCc1nc(C(=O)N2CCSC[C@H](C(=O)[O-])C2)n(C)n1 ZINC001599299722 1017580374 /nfs/dbraw/zinc/58/03/74/1017580374.db2.gz NMWFSYQXZIHMHJ-MRVPVSSYSA-N -1 0 314.367 -0.149 20 0 DBADRM COCc1cc(NC(=O)C(=O)N[C@H](CC(=O)[O-])C2CC2)ncn1 ZINC001599282675 1017580392 /nfs/dbraw/zinc/58/03/92/1017580392.db2.gz CCHPLTDSNJWDOG-SNVBAGLBSA-N -1 0 322.321 -0.069 20 0 DBADRM COCc1cnc(NC(=O)C(=O)NCCOCC(=O)[O-])s1 ZINC001599297424 1017580745 /nfs/dbraw/zinc/58/07/45/1017580745.db2.gz NCFSZDXIQRSKHB-UHFFFAOYSA-N -1 0 317.323 -0.555 20 0 DBADRM COC[C@H]1C[C@@H](NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)C1 ZINC001599277692 1017580848 /nfs/dbraw/zinc/58/08/48/1017580848.db2.gz OSBKNXOBFCYQIK-LMLFDSFASA-N -1 0 314.338 -0.073 20 0 DBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001599277540 1017581201 /nfs/dbraw/zinc/58/12/01/1017581201.db2.gz FRFFEAQIPUTKHR-VIFPVBQESA-N -1 0 316.335 -0.494 20 0 DBADRM COCc1ccc(C(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])o1 ZINC001599290076 1017581476 /nfs/dbraw/zinc/58/14/76/1017581476.db2.gz ALQIJRMABINUMW-VHSXEESVSA-N -1 0 310.306 -0.007 20 0 DBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001599277445 1017581681 /nfs/dbraw/zinc/58/16/81/1017581681.db2.gz BXBATCHKUDLGCW-QMMMGPOBSA-N -1 0 308.356 -0.997 20 0 DBADRM COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)C(N)=O)c1 ZINC001599281452 1017582233 /nfs/dbraw/zinc/58/22/33/1017582233.db2.gz XCBHCNOSCKBANQ-ZETCQYMHSA-N -1 0 316.335 -0.317 20 0 DBADRM COCc1ncc2c(n1)CCN(CN1C[C@@H](C(=O)[O-])OC1=O)C2 ZINC001599304460 1017582910 /nfs/dbraw/zinc/58/29/10/1017582910.db2.gz PIVQGJYZVKZQRK-NSHDSACASA-N -1 0 322.321 -0.156 20 0 DBADRM COCc1ncc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c(N)n1 ZINC001599304202 1017583128 /nfs/dbraw/zinc/58/31/28/1017583128.db2.gz JYVDCQWPWPPLDV-BDAKNGLRSA-N -1 0 310.310 -0.546 20 0 DBADRM COCn1cc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)cn1 ZINC001599306968 1017583184 /nfs/dbraw/zinc/58/31/84/1017583184.db2.gz HSNSCOCSPWYRES-SNVBAGLBSA-N -1 0 310.310 -0.251 20 0 DBADRM COCn1nccc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001599308081 1017583875 /nfs/dbraw/zinc/58/38/75/1017583875.db2.gz IADMZWKQCXQHNT-JTQLQIEISA-N -1 0 321.380 -0.274 20 0 DBADRM COCc1nnc(N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)n1C ZINC001599305867 1017583900 /nfs/dbraw/zinc/58/39/00/1017583900.db2.gz AEFWDBPIEREGKW-MRVPVSSYSA-N -1 0 307.314 -0.297 20 0 DBADRM COCc1n[nH]c(CNC(=O)N2CC[C@](OC)(C(=O)[O-])C2)n1 ZINC001599306582 1017584170 /nfs/dbraw/zinc/58/41/70/1017584170.db2.gz ZXDAMBDVIKFFPN-GFCCVEGCSA-N -1 0 313.314 -0.664 20 0 DBADRM COCc1ncsc1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001599305146 1017584505 /nfs/dbraw/zinc/58/45/05/1017584505.db2.gz DYTVCFQVBHDYHB-QMMMGPOBSA-N -1 0 313.335 -0.343 20 0 DBADRM COCc1nccc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)n1 ZINC001599305420 1017584854 /nfs/dbraw/zinc/58/48/54/1017584854.db2.gz SBLVXFKDLGJJRV-UHFFFAOYSA-N -1 0 320.305 -0.363 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599314816 1017585462 /nfs/dbraw/zinc/58/54/62/1017585462.db2.gz LGFNTNVPRWZHJR-VGMNWLOBSA-N -1 0 303.315 -0.722 20 0 DBADRM CON(C)C(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001599315347 1017585341 /nfs/dbraw/zinc/58/53/41/1017585341.db2.gz DXGYSIAMDWUNBD-UHFFFAOYSA-N -1 0 323.305 -0.232 20 0 DBADRM CON(C)C(=O)C1CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC001599315587 1017586089 /nfs/dbraw/zinc/58/60/89/1017586089.db2.gz FXSXYMILKPYABV-UHFFFAOYSA-N -1 0 301.343 -0.691 20 0 DBADRM CON(C)CCNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001599316298 1017586116 /nfs/dbraw/zinc/58/61/16/1017586116.db2.gz CDEWBRFZYGKUOU-UHFFFAOYSA-N -1 0 303.340 -0.140 20 0 DBADRM CON(C)C(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001599314577 1017586194 /nfs/dbraw/zinc/58/61/94/1017586194.db2.gz GIAFBRUOJKGWIL-SSDOTTSWSA-N -1 0 317.323 -0.534 20 0 DBADRM CON(C(=O)c1coc(S(N)(=O)=O)c1)[C@H](C)CC(=O)[O-] ZINC001599312726 1017586292 /nfs/dbraw/zinc/58/62/92/1017586292.db2.gz GDKAUHOVABTGIQ-ZCFIWIBFSA-N -1 0 306.296 -0.206 20 0 DBADRM CON(C)C(=O)[C@@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001599315633 1017586447 /nfs/dbraw/zinc/58/64/47/1017586447.db2.gz WKPZRFBEFFQJRG-MRVPVSSYSA-N -1 0 323.371 -0.974 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599314809 1017586491 /nfs/dbraw/zinc/58/64/91/1017586491.db2.gz LGFNTNVPRWZHJR-CIUDSAMLSA-N -1 0 303.315 -0.722 20 0 DBADRM CON(C)C(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001599314712 1017586902 /nfs/dbraw/zinc/58/69/02/1017586902.db2.gz HJCCKMHLTPKLMH-ZCFIWIBFSA-N -1 0 320.323 -0.027 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001599315630 1017587029 /nfs/dbraw/zinc/58/70/29/1017587029.db2.gz WIWAKEQGASYHMR-BDAKNGLRSA-N -1 0 319.383 -0.146 20 0 DBADRM CONC(=O)C1CCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC001599320248 1017590093 /nfs/dbraw/zinc/59/00/93/1017590093.db2.gz FTMFHTMYDDHRIJ-UHFFFAOYSA-N -1 0 303.315 -0.813 20 0 DBADRM CO[C@@H]1CN([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C[C@H]1O ZINC001599323131 1017590179 /nfs/dbraw/zinc/59/01/79/1017590179.db2.gz ATTHVOJGUVSBQL-YUSALJHKSA-N -1 0 300.355 -0.610 20 0 DBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001599322907 1017590240 /nfs/dbraw/zinc/59/02/40/1017590240.db2.gz YFCPHITUTNTQRM-UKKRHICBSA-N -1 0 307.368 -0.037 20 0 DBADRM COc1c(C(=O)[O-])ncnc1N1CC[C@H](NS(C)(=O)=O)C1 ZINC001599332367 1017590898 /nfs/dbraw/zinc/59/08/98/1017590898.db2.gz FANKWKVXAZOGQN-ZETCQYMHSA-N -1 0 316.339 -0.689 20 0 DBADRM COc1c(C(=O)[O-])ncnc1N(C)CC(=O)N1CCN(C)CC1 ZINC001599329719 1017591400 /nfs/dbraw/zinc/59/14/00/1017591400.db2.gz CSGAVNJJVPOUJK-UHFFFAOYSA-N -1 0 323.353 -0.606 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3cncc(C(=O)[O-])n3)C[C@H]21 ZINC001599324332 1017591805 /nfs/dbraw/zinc/59/18/05/1017591805.db2.gz BXWPOLVYWYBKDN-SFGNSQDASA-N -1 0 313.335 -0.577 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3ncc(C(=O)[O-])cn3)C[C@H]21 ZINC001599324377 1017591844 /nfs/dbraw/zinc/59/18/44/1017591844.db2.gz GFVHTJQRAGUWNL-AEJSXWLSSA-N -1 0 313.335 -0.577 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C[C@@H]1OC ZINC001599325589 1017592197 /nfs/dbraw/zinc/59/21/97/1017592197.db2.gz ASYZSHBYWTXDNK-AOOOYVTPSA-N -1 0 307.368 -0.083 20 0 DBADRM COc1c(F)cccc1S(=O)(=O)NC[C@@H](O)CC(=O)[O-] ZINC001599335470 1017592259 /nfs/dbraw/zinc/59/22/59/1017592259.db2.gz IXUAQRRTEFVLDC-ZETCQYMHSA-N -1 0 307.299 -0.052 20 0 DBADRM COc1c(F)nccc1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599327954 1017592284 /nfs/dbraw/zinc/59/22/84/1017592284.db2.gz GDUIEPMSGUVUIU-BQBZGAKWSA-N -1 0 313.285 -0.063 20 0 DBADRM CO[C@H]1C[C@H](Cn2nnnc2N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001599326202 1017592517 /nfs/dbraw/zinc/59/25/17/1017592517.db2.gz LMPRGQPSRZAADP-DCAQKATOSA-N -1 0 311.342 -0.222 20 0 DBADRM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CC(=O)N(C)C1 ZINC001599380854 1017593741 /nfs/dbraw/zinc/59/37/41/1017593741.db2.gz NJNLUNLVMXTKRD-LLVKDONJSA-N -1 0 324.333 -0.135 20 0 DBADRM COc1cc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])nn1C ZINC001599353363 1017593937 /nfs/dbraw/zinc/59/39/37/1017593937.db2.gz WOKJCOOMJDJDCH-MRVPVSSYSA-N -1 0 313.310 -0.235 20 0 DBADRM COc1c(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cccc1C(=O)[O-] ZINC001599337136 1017594033 /nfs/dbraw/zinc/59/40/33/1017594033.db2.gz FLKXMUQGIMWBCN-IJLUTSLNSA-N -1 0 323.301 -0.255 20 0 DBADRM COc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1C ZINC001599352706 1017594360 /nfs/dbraw/zinc/59/43/60/1017594360.db2.gz YWLCUOGHYTXCTI-IUCAKERBSA-N -1 0 322.321 -0.910 20 0 DBADRM COc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1C ZINC001599352704 1017594817 /nfs/dbraw/zinc/59/48/17/1017594817.db2.gz YWLCUOGHYTXCTI-DTWKUNHWSA-N -1 0 322.321 -0.910 20 0 DBADRM COc1c(NCC2(S(N)(=O)=O)CCC2)ncnc1C(=O)[O-] ZINC001599345710 1017595262 /nfs/dbraw/zinc/59/52/62/1017595262.db2.gz XYBXHTHKJPAEKZ-UHFFFAOYSA-N -1 0 316.339 -0.194 20 0 DBADRM COc1c[nH]c(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)cc1=O ZINC001599345937 1017595397 /nfs/dbraw/zinc/59/53/97/1017595397.db2.gz VAAMJKSWWIBLNS-IUCAKERBSA-N -1 0 310.306 -0.149 20 0 DBADRM COc1c(NCC(=O)N2CCNC(=O)C2)cccc1C(=O)[O-] ZINC001599342514 1017595625 /nfs/dbraw/zinc/59/56/25/1017595625.db2.gz FRADSMGFWRFRRV-UHFFFAOYSA-N -1 0 307.306 -0.236 20 0 DBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC(=O)N(C)C1 ZINC001599380342 1017595806 /nfs/dbraw/zinc/59/58/06/1017595806.db2.gz FUAXQUFZCFKPRK-UHFFFAOYSA-N -1 0 314.319 -0.186 20 0 DBADRM COc1cc(C(=N)NO[C@H]2CCN(CCC(=O)[O-])C2=O)ncn1 ZINC001599389109 1017596501 /nfs/dbraw/zinc/59/65/01/1017596501.db2.gz CSWQMLAUSXTWDY-VIFPVBQESA-N -1 0 323.309 -0.593 20 0 DBADRM COc1cc(CNC(=O)COCC(=O)[O-])ccc1OCCO ZINC001599410304 1017596653 /nfs/dbraw/zinc/59/66/53/1017596653.db2.gz YKARZLJQUSZSQD-UHFFFAOYSA-N -1 0 313.306 -0.216 20 0 DBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@@H]1COC[C@H]1O ZINC001599385382 1017597019 /nfs/dbraw/zinc/59/70/19/1017597019.db2.gz AZUBMMCPBWDGTL-PHDIDXHHSA-N -1 0 323.348 -0.507 20 0 DBADRM COc1cc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccn1 ZINC001599408365 1017597366 /nfs/dbraw/zinc/59/73/66/1017597366.db2.gz DPAXACRPBAFHIC-SNVBAGLBSA-N -1 0 323.305 -0.982 20 0 DBADRM COc1cc(NC(=O)Cn2ncn(C)c2=O)ccc1C(=O)[O-] ZINC001599433772 1017598104 /nfs/dbraw/zinc/59/81/04/1017598104.db2.gz JGOKIMSRTVLJDB-UHFFFAOYSA-N -1 0 306.278 -0.073 20 0 DBADRM COc1ccc([C@H](NC(=O)[C@H]2CN(C)CCO2)C(=O)[O-])cc1O ZINC001599520352 1017599048 /nfs/dbraw/zinc/59/90/48/1017599048.db2.gz ZYGYGHBLQQWEQB-OLZOCXBDSA-N -1 0 324.333 -0.027 20 0 DBADRM COc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001599480504 1017599215 /nfs/dbraw/zinc/59/92/15/1017599215.db2.gz YWOMHRNXPVAALA-WDEREUQCSA-N -1 0 319.317 -0.249 20 0 DBADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)NCC(=O)N(C)C)c1 ZINC001599495924 1017599299 /nfs/dbraw/zinc/59/92/99/1017599299.db2.gz QOTSDVJWWCFDSJ-UHFFFAOYSA-N -1 0 316.335 -0.240 20 0 DBADRM COc1ccc([C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C(=O)[O-])cc1O ZINC001599520299 1017599793 /nfs/dbraw/zinc/59/97/93/1017599793.db2.gz ZQQBFVLSOWVAAR-KWQFWETISA-N -1 0 323.305 -0.334 20 0 DBADRM COc1ccc(C(=O)NCC(=O)OCC(=O)NCC(=O)[O-])cc1 ZINC001599483105 1017600058 /nfs/dbraw/zinc/60/00/58/1017600058.db2.gz UJSBLCIBYYRKLB-UHFFFAOYSA-N -1 0 324.289 -0.831 20 0 DBADRM COc1ccc(C(=O)O[C@@H](C)C(=O)C(=O)[O-])cc1-n1cnnn1 ZINC001599504142 1017600937 /nfs/dbraw/zinc/60/09/37/1017600937.db2.gz UJLLVGAJOJDNGP-ZETCQYMHSA-N -1 0 320.261 -0.130 20 0 DBADRM COc1ccc(CNC(=O)CN2C(=O)CNC2=O)cc1C(=O)[O-] ZINC001599565081 1017602131 /nfs/dbraw/zinc/60/21/31/1017602131.db2.gz DRJUZOSEYDRLBM-UHFFFAOYSA-N -1 0 321.289 -0.439 20 0 DBADRM COc1ccc(N2CCN(CC(=O)NCC(=O)[O-])CC2)nc1 ZINC001599585062 1017602277 /nfs/dbraw/zinc/60/22/77/1017602277.db2.gz HJHCGECMVCOUSE-UHFFFAOYSA-N -1 0 308.338 -0.587 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)nc1 ZINC001599562500 1017602358 /nfs/dbraw/zinc/60/23/58/1017602358.db2.gz NJTGRAYIEBTVPS-BXKDBHETSA-N -1 0 321.333 -0.115 20 0 DBADRM COc1ccc(F)cc1CNC(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001599582878 1017602765 /nfs/dbraw/zinc/60/27/65/1017602765.db2.gz JPQCTENRSWNWOB-VIFPVBQESA-N -1 0 316.260 -0.011 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(Cc2cc(C(=O)[O-])no2)CCO1 ZINC001599748486 1017618847 /nfs/dbraw/zinc/61/88/47/1017618847.db2.gz HHZJTZARJBSTBX-SECBINFHSA-N -1 0 304.324 -0.382 20 0 DBADRM COc1ccc([C@H](NC(=O)[C@@H]2CN(C)CCO2)C(=O)[O-])cc1O ZINC001599520356 1017603026 /nfs/dbraw/zinc/60/30/26/1017603026.db2.gz ZYGYGHBLQQWEQB-STQMWFEESA-N -1 0 324.333 -0.027 20 0 DBADRM COc1ccc(CC(=O)NCCn2cc(C(=O)[O-])nn2)nc1 ZINC001599548755 1017603062 /nfs/dbraw/zinc/60/30/62/1017603062.db2.gz OWGPUZAXXUEKGN-UHFFFAOYSA-N -1 0 305.294 -0.261 20 0 DBADRM CS(=O)(=O)Cc1cccc(C(=O)N[C@H](CO)C(=O)[O-])c1 ZINC001599752182 1017619740 /nfs/dbraw/zinc/61/97/40/1017619740.db2.gz MFRMNOCXNZSDPY-SNVBAGLBSA-N -1 0 301.320 -0.594 20 0 DBADRM COc1ccc(CN2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001599561903 1017603797 /nfs/dbraw/zinc/60/37/97/1017603797.db2.gz SMDDSBLFJGDEQF-VXGBXAGGSA-N -1 0 320.349 -0.150 20 0 DBADRM COc1cccc(-n2cc(C(=O)N3CC(O)(C(=O)[O-])C3)nn2)c1 ZINC001599642023 1017604926 /nfs/dbraw/zinc/60/49/26/1017604926.db2.gz SECHQLIJZHJADO-UHFFFAOYSA-N -1 0 318.289 -0.453 20 0 DBADRM COc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](O)C2)c(C(=O)[O-])c1 ZINC001599589777 1017605964 /nfs/dbraw/zinc/60/59/64/1017605964.db2.gz RLYPPZULWRXEGM-ZKCHVHJHSA-N -1 0 308.290 -0.029 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)c(C(=O)[O-])c1 ZINC001599615911 1017606244 /nfs/dbraw/zinc/60/62/44/1017606244.db2.gz LNNJSHMTBSSCQP-VIFPVBQESA-N -1 0 315.303 -0.013 20 0 DBADRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)Cn2ncnn2)c1 ZINC001599649139 1017606427 /nfs/dbraw/zinc/60/64/27/1017606427.db2.gz OHTUFXPEERCNGR-GFCCVEGCSA-N -1 0 305.294 -0.034 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001599599635 1017606504 /nfs/dbraw/zinc/60/65/04/1017606504.db2.gz NEZCAVBXMYRGPX-GZMMTYOYSA-N -1 0 317.319 -0.079 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@H]1C(=O)[O-] ZINC001599619332 1017606565 /nfs/dbraw/zinc/60/65/65/1017606565.db2.gz PPVMVCSIIOFOLV-VIFPVBQESA-N -1 0 314.319 -0.358 20 0 DBADRM COc1cccc([C@H](NC(=O)Cn2cnc(N)n2)C(=O)[O-])c1 ZINC001599687342 1017607671 /nfs/dbraw/zinc/60/76/71/1017607671.db2.gz VRWLCIGHMNVXJB-NSHDSACASA-N -1 0 305.294 -0.189 20 0 DBADRM COc1ccccc1[C@@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599702512 1017608347 /nfs/dbraw/zinc/60/83/47/1017608347.db2.gz YKYBWPVBJGCRNB-HOTUBEGUSA-N -1 0 324.333 -0.177 20 0 DBADRM COc1ccccc1[C@@H](CO)NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001599696900 1017608722 /nfs/dbraw/zinc/60/87/22/1017608722.db2.gz AIFVJWQEMFMRII-LLVKDONJSA-N -1 0 320.305 -0.165 20 0 DBADRM COc1cccc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])c1F ZINC001599684246 1017608737 /nfs/dbraw/zinc/60/87/37/1017608737.db2.gz JDCAZWPFWCEWLR-LLVKDONJSA-N -1 0 307.299 -0.052 20 0 DBADRM COc1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1OC ZINC001599684603 1017608962 /nfs/dbraw/zinc/60/89/62/1017608962.db2.gz WGKOAHQIVVOPSV-XCBNKYQSSA-N -1 0 319.335 -0.184 20 0 DBADRM COc1cccc(OCCC(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001599682237 1017609072 /nfs/dbraw/zinc/60/90/72/1017609072.db2.gz VJWWVZWBYNPPHC-UHFFFAOYSA-N -1 0 310.306 -0.219 20 0 DBADRM COc1ccccc1[C@H](O)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001599702421 1017609271 /nfs/dbraw/zinc/60/92/71/1017609271.db2.gz XGLGMPDUVGDRHF-JQWIXIFHSA-N -1 0 320.305 -0.410 20 0 DBADRM COc1ccccc1NCC(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001599713861 1017609372 /nfs/dbraw/zinc/60/93/72/1017609372.db2.gz ATJKCUTUKXADDQ-NSHDSACASA-N -1 0 319.321 -0.032 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N2C3CCC2(C(=O)[O-])CC3)C1 ZINC001599754149 1017623475 /nfs/dbraw/zinc/62/34/75/1017623475.db2.gz SYCABVTWQVECTA-UHFFFAOYSA-N -1 0 302.352 -0.514 20 0 DBADRM COc1ccccc1[C@@H](OC(=O)CN1CCNC(=O)C1)C(=O)[O-] ZINC001599702140 1017609427 /nfs/dbraw/zinc/60/94/27/1017609427.db2.gz USFGNCHPKCPDRG-CQSZACIVSA-N -1 0 322.317 -0.204 20 0 DBADRM COc1cncc(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])n1 ZINC001599726654 1017611088 /nfs/dbraw/zinc/61/10/88/1017611088.db2.gz WFBZGXOTHXTZMN-JTQLQIEISA-N -1 0 315.351 -0.441 20 0 DBADRM COc1coc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1=O ZINC001599727835 1017611202 /nfs/dbraw/zinc/61/12/02/1017611202.db2.gz VZRGTUGUPISVGR-ZETCQYMHSA-N -1 0 310.262 -0.936 20 0 DBADRM COc1nc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)co1 ZINC001599730117 1017611230 /nfs/dbraw/zinc/61/12/30/1017611230.db2.gz KWARUHUNBNWOGR-BDAKNGLRSA-N -1 0 323.305 -0.313 20 0 DBADRM COc1cncc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC001599727134 1017611384 /nfs/dbraw/zinc/61/13/84/1017611384.db2.gz JLSDGTARWXOJJY-ZDUSSCGKSA-N -1 0 308.294 -0.253 20 0 DBADRM COc1cnc(NC(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)nc1 ZINC001599725071 1017611398 /nfs/dbraw/zinc/61/13/98/1017611398.db2.gz VHDJEPLMOGQNAK-MRVPVSSYSA-N -1 0 306.278 -0.287 20 0 DBADRM COc1coc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1=O ZINC001599727834 1017611791 /nfs/dbraw/zinc/61/17/91/1017611791.db2.gz VZRGTUGUPISVGR-SSDOTTSWSA-N -1 0 310.262 -0.936 20 0 DBADRM COc1cncc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)n1 ZINC001599726400 1017611941 /nfs/dbraw/zinc/61/19/41/1017611941.db2.gz LDBNOXSFCDENHF-UHFFFAOYSA-N -1 0 318.293 -0.763 20 0 DBADRM COc1cnc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])nc1 ZINC001599723908 1017612072 /nfs/dbraw/zinc/61/20/72/1017612072.db2.gz YHZAEMQIJGERAR-ZJUUUORDSA-N -1 0 322.321 -0.606 20 0 DBADRM COc1nc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)co1 ZINC001599730436 1017612988 /nfs/dbraw/zinc/61/29/88/1017612988.db2.gz NLIDAFCAJPBNQY-JGVFFNPUSA-N -1 0 309.278 -0.656 20 0 DBADRM COc1ncc(/C=C\C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cn1 ZINC001599736211 1017613424 /nfs/dbraw/zinc/61/34/24/1017613424.db2.gz PQXRDHOTVYKAAB-NSVKDGAOSA-N -1 0 322.321 -0.408 20 0 DBADRM COc1ncc(/C=C\C(=O)N2CCC(O)(C(=O)[O-])CC2)cn1 ZINC001599736019 1017614085 /nfs/dbraw/zinc/61/40/85/1017614085.db2.gz MGFMLNNIVMOEOY-IHWYPQMZSA-N -1 0 307.306 -0.064 20 0 DBADRM COc1ncc(N[C@H]2CCN(CCC(=O)[O-])C2=O)cc1C(N)=O ZINC001599734447 1017614169 /nfs/dbraw/zinc/61/41/69/1017614169.db2.gz SZIYMCIORJUVSR-JTQLQIEISA-N -1 0 322.321 -0.323 20 0 DBADRM COc1nn(C)cc1NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001599740136 1017614801 /nfs/dbraw/zinc/61/48/01/1017614801.db2.gz XYJGXVWBACKNFY-UHFFFAOYSA-N -1 0 309.286 -0.460 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC001599739054 1017615732 /nfs/dbraw/zinc/61/57/32/1017615732.db2.gz IJEKGMDXVZXHCK-UHFFFAOYSA-N -1 0 322.277 -0.025 20 0 DBADRM COc1ncncc1NC(=O)C(=O)NC1(CC(=O)[O-])CCC1 ZINC001599739904 1017616224 /nfs/dbraw/zinc/61/62/24/1017616224.db2.gz ZQARCLALEIVAHJ-UHFFFAOYSA-N -1 0 308.294 -0.063 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001599739491 1017616394 /nfs/dbraw/zinc/61/63/94/1017616394.db2.gz NOTIZYDWYQLATH-SFYZADRCSA-N -1 0 308.294 -0.255 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001599739527 1017616729 /nfs/dbraw/zinc/61/67/29/1017616729.db2.gz PHJSSZRURJCUIB-MRVPVSSYSA-N -1 0 308.294 -0.111 20 0 DBADRM CSCc1noc(CCC(=O)NC[C@](C)(O)C(=O)[O-])n1 ZINC001599805124 1017635226 /nfs/dbraw/zinc/63/52/26/1017635226.db2.gz ZWYWKKIBWRTSGU-NSHDSACASA-N -1 0 303.340 -0.183 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001599749484 1017617938 /nfs/dbraw/zinc/61/79/38/1017617938.db2.gz RXMWOOIQEXKXQL-OPRDCNLKSA-N -1 0 304.368 -0.074 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCCN1C(=O)NCCOCC(=O)[O-] ZINC001599748709 1017618083 /nfs/dbraw/zinc/61/80/83/1017618083.db2.gz RWBMDKWXPPRDQH-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001599748992 1017618194 /nfs/dbraw/zinc/61/81/94/1017618194.db2.gz OLMNMNBQEKMRBZ-MWLCHTKSSA-N -1 0 319.379 -0.193 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)NCCSCC(=O)[O-])C1 ZINC001599749154 1017618498 /nfs/dbraw/zinc/61/84/98/1017618498.db2.gz NFUHFOGCJYKLFV-VIFPVBQESA-N -1 0 324.424 -0.120 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001599747552 1017618699 /nfs/dbraw/zinc/61/86/99/1017618699.db2.gz BFFVJFGWZTZDAM-IVZWLZJFSA-N -1 0 307.368 -0.601 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001599745854 1017618722 /nfs/dbraw/zinc/61/87/22/1017618722.db2.gz LTHBNQHIZMKINH-UHFFFAOYSA-N -1 0 316.339 -0.334 20 0 DBADRM CS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])nn2)C1 ZINC001599746507 1017618976 /nfs/dbraw/zinc/61/89/76/1017618976.db2.gz HNZZNFGXFLGMBN-SSDOTTSWSA-N -1 0 314.323 -0.174 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)c1ccoc1CC(=O)[O-] ZINC001599751710 1017619653 /nfs/dbraw/zinc/61/96/53/1017619653.db2.gz LGDKILIWWWKHNU-UHFFFAOYSA-N -1 0 319.335 -0.302 20 0 DBADRM CS(=O)(=O)Cc1ccc(CNC(=O)COCC(=O)[O-])cc1 ZINC001599752564 1017619690 /nfs/dbraw/zinc/61/96/90/1017619690.db2.gz HNWYDTQMTKXBJV-UHFFFAOYSA-N -1 0 315.347 -0.051 20 0 DBADRM CS(=O)(=O)CCCN1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001599751016 1017619878 /nfs/dbraw/zinc/61/98/78/1017619878.db2.gz VYHDPTPOIKZQCI-GHMZBOCLSA-N -1 0 318.395 -0.810 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001599750560 1017620197 /nfs/dbraw/zinc/62/01/97/1017620197.db2.gz IKXKMAQUTAIDDT-UWVGGRQHSA-N -1 0 307.368 -0.193 20 0 DBADRM CS(=O)(=O)CCNC(=S)Nc1ccn(CC(=O)[O-])n1 ZINC001599751682 1017620558 /nfs/dbraw/zinc/62/05/58/1017620558.db2.gz WDRFHFLOCJIOSV-UHFFFAOYSA-N -1 0 306.369 -0.701 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)NCC1(C(=O)[O-])CC1 ZINC001599751393 1017620782 /nfs/dbraw/zinc/62/07/82/1017620782.db2.gz JXIZHIQZVXGVCI-UHFFFAOYSA-N -1 0 308.356 -0.788 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC001599750720 1017621076 /nfs/dbraw/zinc/62/10/76/1017621076.db2.gz FERGJAZUEOKTDK-RKDXNWHRSA-N -1 0 313.397 -0.406 20 0 DBADRM CS(=O)(=O)CC[C@@H]1CCCCN1CC(=O)NCCC(=O)[O-] ZINC001599751290 1017621026 /nfs/dbraw/zinc/62/10/26/1017621026.db2.gz WPKIRASOEHHKFX-NSHDSACASA-N -1 0 320.411 -0.134 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NCc1cc(C(=O)[O-])co1 ZINC001599751884 1017621045 /nfs/dbraw/zinc/62/10/45/1017621045.db2.gz SQDRJKLDZOLMGL-UHFFFAOYSA-N -1 0 311.337 -0.558 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001599751836 1017621221 /nfs/dbraw/zinc/62/12/21/1017621221.db2.gz PNLBGEXZMMBKGC-UHFFFAOYSA-N -1 0 304.324 -0.496 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001599753842 1017622885 /nfs/dbraw/zinc/62/28/85/1017622885.db2.gz IPPOQXNGDQEOKF-SCZZXKLOSA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)Cc1nc(C(=O)N2CC[C@H](C(=O)[O-])C2)co1 ZINC001599753211 1017623417 /nfs/dbraw/zinc/62/34/17/1017623417.db2.gz FQSDEQKMDMJSAM-ZETCQYMHSA-N -1 0 302.308 -0.234 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)N2CCC[C@H]2CC(=O)[O-])C1 ZINC001599757240 1017624616 /nfs/dbraw/zinc/62/46/16/1017624616.db2.gz LNZXTOXRWULLKS-RTBKNWGFSA-N -1 0 319.383 -0.285 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599757967 1017625092 /nfs/dbraw/zinc/62/50/92/1017625092.db2.gz NTJVFGPPSOZELH-YTWAJWBKSA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001599758330 1017625098 /nfs/dbraw/zinc/62/50/98/1017625098.db2.gz MHNBCEUJJNVXBZ-YTWAJWBKSA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(c2cnc(C(=O)[O-])cn2)C1 ZINC001599757897 1017625186 /nfs/dbraw/zinc/62/51/86/1017625186.db2.gz FMYBWGXFTIMEES-SECBINFHSA-N -1 0 314.367 -0.060 20 0 DBADRM CS(=O)(=O)NCC1CCN(c2cc(C(=O)[O-])ncn2)CC1 ZINC001599759337 1017625361 /nfs/dbraw/zinc/62/53/61/1017625361.db2.gz PVXIVGSGOXEILS-UHFFFAOYSA-N -1 0 314.367 -0.060 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001599757104 1017625569 /nfs/dbraw/zinc/62/55/69/1017625569.db2.gz BZLJUPNAWMDGOQ-UKKRHICBSA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)/C=C\[C@H]1CCCO1)C(=O)[O-] ZINC001599763245 1017626559 /nfs/dbraw/zinc/62/65/59/1017626559.db2.gz WZEPVDSBBQEOKO-HNAZTHBFSA-N -1 0 317.363 -0.274 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CC[C@H]1CCOC1)C(=O)[O-] ZINC001599762925 1017626799 /nfs/dbraw/zinc/62/67/99/1017626799.db2.gz MWQCMEYKZMQGDW-OUJBWJOFSA-N -1 0 319.379 -0.193 20 0 DBADRM CS(=O)(=O)NCCC(=O)NC1(C(=O)[O-])CCSCC1 ZINC001599759488 1017626808 /nfs/dbraw/zinc/62/68/08/1017626808.db2.gz WEWYCCGQEWQVJF-UHFFFAOYSA-N -1 0 310.397 -0.608 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)O)C[C@H]1CC(=O)[O-] ZINC001599850346 1017642984 /nfs/dbraw/zinc/64/29/84/1017642984.db2.gz ADQAGZSCBOMRLC-NXEZZACHSA-N -1 0 300.355 -0.167 20 0 DBADRM CS(=O)(=O)NCc1ccc(NC(=O)[C@@H]([NH3+])CC(=O)[O-])cc1 ZINC001599761491 1017626958 /nfs/dbraw/zinc/62/69/58/1017626958.db2.gz RBCOSZGSEDCLCS-JTQLQIEISA-N -1 0 315.351 -0.524 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)Nc1cnsn1)C(=O)[O-] ZINC001599762236 1017627098 /nfs/dbraw/zinc/62/70/98/1017627098.db2.gz AEDZLDIRIRUABY-SSDLBLMSSA-N -1 0 320.352 -0.453 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)/C=C\[C@@H]1CCCO1)C(=O)[O-] ZINC001599763244 1017627403 /nfs/dbraw/zinc/62/74/03/1017627403.db2.gz WZEPVDSBBQEOKO-GMQGSAAFSA-N -1 0 317.363 -0.274 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)NOCCCC(=O)[O-])o1 ZINC001599761517 1017627990 /nfs/dbraw/zinc/62/79/90/1017627990.db2.gz SMGHFQCLUJYLJK-UHFFFAOYSA-N -1 0 320.323 -0.145 20 0 DBADRM CS(=O)(=O)c1ccc(/C=C/C(=O)NC[C@H](O)CC(=O)[O-])o1 ZINC001599769848 1017628715 /nfs/dbraw/zinc/62/87/15/1017628715.db2.gz DVSVZRMANYEBNE-BYDTYLDUSA-N -1 0 317.319 -0.352 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N[C@H](CF)C(=O)[O-])c(N)c1 ZINC001599767215 1017628858 /nfs/dbraw/zinc/62/88/58/1017628858.db2.gz NNGBISCBOZSWGH-SECBINFHSA-N -1 0 304.299 -0.175 20 0 DBADRM CS(=O)(=O)c1cc(NC(=O)C2(O)COC2)cc(C(=O)[O-])c1 ZINC001599766092 1017629337 /nfs/dbraw/zinc/62/93/37/1017629337.db2.gz NAASTJVYPYGYFV-UHFFFAOYSA-N -1 0 315.303 -0.512 20 0 DBADRM C[S@](=O)C1(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1 ZINC001599774981 1017629554 /nfs/dbraw/zinc/62/95/54/1017629554.db2.gz FMWSSCDHIZNERX-FPVGNUTFSA-N -1 0 316.379 -0.663 20 0 DBADRM C[S@](=O)C1(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CCC1 ZINC001599775163 1017629608 /nfs/dbraw/zinc/62/96/08/1017629608.db2.gz JASZCGYOGZTTSC-BTKVJGODSA-N -1 0 316.379 -0.663 20 0 DBADRM CS(=O)(=O)c1ccnc(NC(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001599773702 1017629700 /nfs/dbraw/zinc/62/97/00/1017629700.db2.gz JMWWPEXVRZIBAC-ZETCQYMHSA-N -1 0 317.323 -0.558 20 0 DBADRM CS[C@@H](CNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)C(C)(C)C ZINC001599785934 1017631313 /nfs/dbraw/zinc/63/13/13/1017631313.db2.gz XRHKQGQIOUTXKV-QMMMGPOBSA-N -1 0 318.395 -0.462 20 0 DBADRM CS(C)(=O)=NC(=O)[C@@H]1CCCN1CCC(=O)NCC(=O)[O-] ZINC001599779990 1017631387 /nfs/dbraw/zinc/63/13/87/1017631387.db2.gz OCLLWZOQIUIMNB-VIFPVBQESA-N -1 0 319.383 -0.704 20 0 DBADRM C[S@](=O)c1nncn1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001599778825 1017631432 /nfs/dbraw/zinc/63/14/32/1017631432.db2.gz BOGCXKMPGICYHN-NRFANRHFSA-N -1 0 309.307 -0.253 20 0 DBADRM C[S@@](=O)C1(CN2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)CC1 ZINC001599775375 1017631506 /nfs/dbraw/zinc/63/15/06/1017631506.db2.gz LNIUAOULQXDFMH-PNFNABOOSA-N -1 0 300.336 -0.461 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCC(C)(C)CCO)C(=O)[O-] ZINC001599896851 1017656662 /nfs/dbraw/zinc/65/66/62/1017656662.db2.gz QIISHQZZNIPFCA-IUCAKERBSA-N -1 0 303.359 -0.328 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)CCNc1ccc(C(=O)[O-])nn1 ZINC001599781479 1017631597 /nfs/dbraw/zinc/63/15/97/1017631597.db2.gz OTIJVZATNNHNJY-UHFFFAOYSA-N -1 0 322.368 -0.356 20 0 DBADRM C[S@](=O)CCN1C(=O)NC2(CCC(C(=O)[O-])CC2)C1=O ZINC001599777262 1017631825 /nfs/dbraw/zinc/63/18/25/1017631825.db2.gz RFYTWUUOYINXBF-KXYZWHRGSA-N -1 0 302.352 -0.070 20 0 DBADRM C[S@](=O)C1(CN2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)CC1 ZINC001599775376 1017631908 /nfs/dbraw/zinc/63/19/08/1017631908.db2.gz LNIUAOULQXDFMH-QJLOYDIBSA-N -1 0 300.336 -0.461 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC001599779994 1017631944 /nfs/dbraw/zinc/63/19/44/1017631944.db2.gz BJPZHDNCSBHERA-SSDOTTSWSA-N -1 0 316.426 -0.149 20 0 DBADRM CS(C)(=O)=NC(=O)CN1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001599778748 1017632294 /nfs/dbraw/zinc/63/22/94/1017632294.db2.gz AVDKTHDRKIMTKA-UHFFFAOYSA-N -1 0 317.367 -0.064 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001599775997 1017632429 /nfs/dbraw/zinc/63/24/29/1017632429.db2.gz DEOCXMAEYRPCDO-LADRHHBVSA-N -1 0 318.395 -0.416 20 0 DBADRM CS(=O)(=O)c1nnc(CN2CCSC[C@@H]2C(=O)[O-])s1 ZINC001599775869 1017632487 /nfs/dbraw/zinc/63/24/87/1017632487.db2.gz TURFDPHJKUWAQL-ZCFIWIBFSA-N -1 0 323.421 -0.056 20 0 DBADRM C[S@@](=O)CCN1C(=O)NC2(CCC(C(=O)[O-])CC2)C1=O ZINC001599777263 1017632598 /nfs/dbraw/zinc/63/25/98/1017632598.db2.gz RFYTWUUOYINXBF-OKBZNDFBSA-N -1 0 302.352 -0.070 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)C[C@H]1CCCCO1)C(=O)[O-] ZINC001599900566 1017659023 /nfs/dbraw/zinc/65/90/23/1017659023.db2.gz YHHGNVXHHKBDBD-LPEHRKFASA-N -1 0 322.383 -0.547 20 0 DBADRM CSCCCCNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599799983 1017633420 /nfs/dbraw/zinc/63/34/20/1017633420.db2.gz VKSULYPQMXFEPX-JTQLQIEISA-N -1 0 318.395 -0.052 20 0 DBADRM CSCc1nc(CNS(=O)(=O)CCCC(=O)[O-])n[nH]1 ZINC001599805817 1017633443 /nfs/dbraw/zinc/63/34/43/1017633443.db2.gz YYYMJFATTPPDII-UHFFFAOYSA-N -1 0 308.385 -0.048 20 0 DBADRM CSC[C@H](C)NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001599791840 1017634066 /nfs/dbraw/zinc/63/40/66/1017634066.db2.gz BLXOWOLPYNMRSR-CIUDSAMLSA-N -1 0 304.368 -0.852 20 0 DBADRM CSCC[C@@H](OC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)[O-] ZINC001599798899 1017634611 /nfs/dbraw/zinc/63/46/11/1017634611.db2.gz YDLLATXTFXWGHP-MRVPVSSYSA-N -1 0 316.335 -0.704 20 0 DBADRM CSCCCNC(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599799503 1017634644 /nfs/dbraw/zinc/63/46/44/1017634644.db2.gz BYLZWDQREXQNNL-RKDXNWHRSA-N -1 0 304.368 -0.538 20 0 DBADRM CSCC[C@H](O)C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001599795989 1017634734 /nfs/dbraw/zinc/63/47/34/1017634734.db2.gz FVIZFXLSNONJQS-CABZTGNLSA-N -1 0 301.368 -0.043 20 0 DBADRM CSc1ncc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c(=O)[nH]1 ZINC001599827310 1017634749 /nfs/dbraw/zinc/63/47/49/1017634749.db2.gz DFXRMOSOUZWINT-BQBZGAKWSA-N -1 0 313.335 -0.188 20 0 DBADRM CSCc1noc(CCC(=O)N2CC[C@](O)(C(=O)[O-])C2)n1 ZINC001599804092 1017634778 /nfs/dbraw/zinc/63/47/78/1017634778.db2.gz GOVZQDXATOTKIM-GFCCVEGCSA-N -1 0 315.351 -0.087 20 0 DBADRM CSc1ncc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c(=O)[nH]1 ZINC001599827313 1017635126 /nfs/dbraw/zinc/63/51/26/1017635126.db2.gz DFXRMOSOUZWINT-RQJHMYQMSA-N -1 0 313.335 -0.188 20 0 DBADRM CSCCNC(=O)C(=O)NCc1ncc(C(=O)[O-])s1 ZINC001599800677 1017635191 /nfs/dbraw/zinc/63/51/91/1017635191.db2.gz XMKVXBOUNGWDDM-UHFFFAOYSA-N -1 0 303.365 -0.063 20 0 DBADRM CSC[C@H](C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001599791650 1017635335 /nfs/dbraw/zinc/63/53/35/1017635335.db2.gz ACLUGXBLTYJRCL-DKCNOQQISA-N -1 0 309.409 -0.010 20 0 DBADRM C[C@@H](CCNC(=O)[C@H]1COC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001599835076 1017635999 /nfs/dbraw/zinc/63/59/99/1017635999.db2.gz CZSHLWQZMUKRLE-IONNQARKSA-N -1 0 323.309 -0.410 20 0 DBADRM C[C@@H](O)C1CCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)CC1 ZINC001599842147 1017636429 /nfs/dbraw/zinc/63/64/29/1017636429.db2.gz RVTIYSXRXFULFZ-GRZMOONWSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H]1COC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001599835071 1017636581 /nfs/dbraw/zinc/63/65/81/1017636581.db2.gz CZSHLWQZMUKRLE-CBAPKCEASA-N -1 0 323.309 -0.410 20 0 DBADRM C[C@@H](CCNC(=O)[C@H]1CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001599835368 1017636992 /nfs/dbraw/zinc/63/69/92/1017636992.db2.gz JKHFFJNVICRUHE-UWVGGRQHSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1cnn(C)c1 ZINC001599836806 1017637066 /nfs/dbraw/zinc/63/70/66/1017637066.db2.gz UPDLPBUPKFVNJP-QMMMGPOBSA-N -1 0 304.310 -0.439 20 0 DBADRM C[C@@H](O)C1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1 ZINC001599842221 1017637122 /nfs/dbraw/zinc/63/71/22/1017637122.db2.gz YZZJQTCTDAPRNI-ZYHUDNBSSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001599836184 1017637361 /nfs/dbraw/zinc/63/73/61/1017637361.db2.gz CKSBJQFJKSCGHT-WYOJIJJFSA-N -1 0 306.322 -0.594 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@]1(C)Oc2ccccc2NC1=O)C(=O)[O-] ZINC001599843443 1017639281 /nfs/dbraw/zinc/63/92/81/1017639281.db2.gz FPIFANBGKVLROK-IMIVBSTGSA-N -1 0 308.290 -0.274 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)Cn1ncc(=O)c2ccccc21)C(=O)[O-] ZINC001599844023 1017639433 /nfs/dbraw/zinc/63/94/33/1017639433.db2.gz SDCFRIJMKDTIEJ-OQPBUACISA-N -1 0 305.290 -0.653 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cc(C2CC2)nn1C)C(=O)[O-] ZINC001599845324 1017639536 /nfs/dbraw/zinc/63/95/36/1017639536.db2.gz UPTOFEXQJUSXIK-LDWIPMOCSA-N -1 0 303.340 -0.590 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](C)(O)C2)C[C@H]1CC(=O)[O-] ZINC001599849770 1017640988 /nfs/dbraw/zinc/64/09/88/1017640988.db2.gz SQCUGANRMUOSOK-HFAKWTLXSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CC2(C)COC2)C[C@@H](C(=O)[O-])O1 ZINC001599848182 1017641280 /nfs/dbraw/zinc/64/12/80/1017641280.db2.gz SQGVKCKLTBHEQT-ZJUUUORDSA-N -1 0 314.338 -0.818 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](F)C2)C[C@@H](C(=O)[O-])O1 ZINC001599848762 1017641489 /nfs/dbraw/zinc/64/14/89/1017641489.db2.gz AMQHYSXBATUGKS-UTLUCORTSA-N -1 0 302.302 -0.353 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CCCO)C2)C[C@H]1C(=O)[O-] ZINC001599849142 1017641514 /nfs/dbraw/zinc/64/15/14/1017641514.db2.gz GVSJBBBIYGOKCL-IJLUTSLNSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(CCCCO)C2CC2)C[C@H]1C(=O)[O-] ZINC001599850262 1017641873 /nfs/dbraw/zinc/64/18/73/1017641873.db2.gz YWTJSRMDVSDHDK-ZYHUDNBSSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)CCCN2C(=O)CCC2=O)C[C@@H](C(=O)[O-])O1 ZINC001599853142 1017642778 /nfs/dbraw/zinc/64/27/78/1017642778.db2.gz JIKMSTRASYJHKN-ZJUUUORDSA-N -1 0 312.322 -0.384 20 0 DBADRM C[C@@H]1CN(C(=O)CNC(=O)c2ccc(O)cc2)C[C@@H](C(=O)[O-])O1 ZINC001599853836 1017642804 /nfs/dbraw/zinc/64/28/04/1017642804.db2.gz PNIFPZLMVAJGRR-SKDRFNHKSA-N -1 0 322.317 -0.178 20 0 DBADRM C[C@@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001599854270 1017642900 /nfs/dbraw/zinc/64/29/00/1017642900.db2.gz GRKJYGWAFUHZQI-MXWKQRLJSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CSC2(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599851447 1017643191 /nfs/dbraw/zinc/64/31/91/1017643191.db2.gz VXSCSPZFGQYDSL-HRDYMLBCSA-N -1 0 316.379 -0.303 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCC2CCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001599851079 1017643371 /nfs/dbraw/zinc/64/33/71/1017643371.db2.gz NJKTXAQQKQGYCN-KOLCDFICSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CC2(F)F)C[C@@H](C(=O)[O-])O1 ZINC001599851356 1017643770 /nfs/dbraw/zinc/64/37/70/1017643770.db2.gz SFCHAFVHEPYASI-HLTSFMKQSA-N -1 0 320.292 -0.152 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCc3nnnn3CC2)C[C@H]1C(=O)[O-] ZINC001599857059 1017645495 /nfs/dbraw/zinc/64/54/95/1017645495.db2.gz JOUJZDBAFAFYQP-KXUCPTDWSA-N -1 0 308.342 -0.260 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CC(=O)[O-] ZINC001599855529 1017645788 /nfs/dbraw/zinc/64/57/88/1017645788.db2.gz ATWCFYROVNXQKG-ZNSHCXBVSA-N -1 0 313.354 -0.229 20 0 DBADRM C[C@@H]1CN(C(=O)NCC[C@]2(O)CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599860600 1017645866 /nfs/dbraw/zinc/64/58/66/1017645866.db2.gz OMZPLHOLJPWDTL-NRUUGDAUSA-N -1 0 302.327 -0.589 20 0 DBADRM C[C@@H]1CN(C(=O)NCCN2CCSCC2)C[C@@H](C(=O)[O-])O1 ZINC001599858500 1017646055 /nfs/dbraw/zinc/64/60/55/1017646055.db2.gz IXWCIEJVXJGWJJ-MNOVXSKESA-N -1 0 317.411 -0.081 20 0 DBADRM C[C@@H]1CN(C(=O)NCc2ccnc(N(C)C)n2)C[C@@H](C(=O)[O-])O1 ZINC001599858519 1017646208 /nfs/dbraw/zinc/64/62/08/1017646208.db2.gz NKEPGGNOPNXMQW-KOLCDFICSA-N -1 0 323.353 -0.074 20 0 DBADRM C/C=C(/C)C(=O)NC1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001498146908 1017646390 /nfs/dbraw/zinc/64/63/90/1017646390.db2.gz GHJXWUDVRSVNMM-BAQGIRSFSA-N -1 0 321.337 -0.491 20 0 DBADRM C/C=C(\C)C(=O)NC1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001498146910 1017647075 /nfs/dbraw/zinc/64/70/75/1017647075.db2.gz GHJXWUDVRSVNMM-FPYGCLRLSA-N -1 0 321.337 -0.491 20 0 DBADRM C/C=C(\C)C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001498148802 1017647307 /nfs/dbraw/zinc/64/73/07/1017647307.db2.gz SYAXWSLRSGINDW-XBXARRHUSA-N -1 0 306.322 -0.607 20 0 DBADRM C[C@@H]1CN(c2nnc([C@H]3CCC(=O)NC3)n2C)C[C@H]1C(=O)[O-] ZINC001599869723 1017647792 /nfs/dbraw/zinc/64/77/92/1017647792.db2.gz GPUIWGBEQJTKQS-KXUCPTDWSA-N -1 0 307.354 -0.034 20 0 DBADRM C[C@@H]1CN(Cn2c3cnccc3n(C)c2=O)C[C@@H](C(=O)[O-])O1 ZINC001599867124 1017648133 /nfs/dbraw/zinc/64/81/33/1017648133.db2.gz BJHDBWGJRHQXNH-SKDRFNHKSA-N -1 0 306.322 -0.134 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)C[C@@H]2CN(C)CCO2)C[C@H]1CC(=O)[O-] ZINC001599867662 1017648652 /nfs/dbraw/zinc/64/86/52/1017648652.db2.gz HEMBMPRQQFBSPY-UTUOFQBUSA-N -1 0 320.411 -0.311 20 0 DBADRM C[C@@H]1CN(c2nnc([C@@]3(C)CNC(=O)C3)n2C)C[C@H]1C(=O)[O-] ZINC001599870187 1017648661 /nfs/dbraw/zinc/64/86/61/1017648661.db2.gz NAIHTTAHXHWTAE-RFXMVYNHSA-N -1 0 307.354 -0.250 20 0 DBADRM C[C@@H]1CN(c2nnnn2C[C@H]2CCCCO2)C[C@@H](C(=O)[O-])O1 ZINC001599872193 1017648685 /nfs/dbraw/zinc/64/86/85/1017648685.db2.gz RZVANPURDDTUSD-MXWKQRLJSA-N -1 0 311.342 -0.080 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCCOCC2)C[C@H]1CC(=O)[O-] ZINC001599868005 1017648714 /nfs/dbraw/zinc/64/87/14/1017648714.db2.gz NHEOAHPIQDFRCU-GHMZBOCLSA-N -1 0 306.384 -0.004 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)C[C@@H](C(=O)[O-])O1 ZINC001599868265 1017648739 /nfs/dbraw/zinc/64/87/39/1017648739.db2.gz UIRYHEFXGYKNOQ-RQJHMYQMSA-N -1 0 323.758 -0.064 20 0 DBADRM C[C@@H]1CN(c2nnnn2CCCOC(F)F)C[C@@H](C(=O)[O-])O1 ZINC001599871207 1017648770 /nfs/dbraw/zinc/64/87/70/1017648770.db2.gz HOXMYUZPKOBBTR-SFYZADRCSA-N -1 0 321.284 -0.019 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC2CCS(=O)(=O)CC2)O[C@H]1C(=O)[O-] ZINC001599874850 1017649537 /nfs/dbraw/zinc/64/95/37/1017649537.db2.gz NPTILCOFTODDLA-SZEHBUNVSA-N -1 0 305.352 -0.442 20 0 DBADRM C[C@@H]1CN(c2nnnn2Cc2cccc(F)n2)C[C@@H](C(=O)[O-])O1 ZINC001599873133 1017649801 /nfs/dbraw/zinc/64/98/01/1017649801.db2.gz ZUZKXVYKCLCWKC-SCZZXKLOSA-N -1 0 322.300 -0.066 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCC([C@@H](F)C(N)=O)CC2)O[C@H]1C(=O)[O-] ZINC001599873249 1017650068 /nfs/dbraw/zinc/65/00/68/1017650068.db2.gz HTKFIVOUAUNVJL-QCNRFFRDSA-N -1 0 316.329 -0.073 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](O)c2ccccn2)O[C@H]1C(=O)[O-] ZINC001599873709 1017650082 /nfs/dbraw/zinc/65/00/82/1017650082.db2.gz INDJLOPHRJABKV-ZGYLKHSLSA-N -1 0 324.333 -0.530 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)O[C@H]1C(=O)[O-] ZINC001599875584 1017650224 /nfs/dbraw/zinc/65/02/24/1017650224.db2.gz ZGHZZKOXELJBFM-JDDHQFAOSA-N -1 0 300.311 -0.986 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)[C@H](C)C2)O[C@H]1C(=O)[O-] ZINC001599873569 1017650239 /nfs/dbraw/zinc/65/02/39/1017650239.db2.gz CCOVGKSXQIVLBM-ZYUZMQFOSA-N -1 0 305.352 -0.490 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCCN2CCOC2=O)O[C@H]1C(=O)[O-] ZINC001599875522 1017650323 /nfs/dbraw/zinc/65/03/23/1017650323.db2.gz UWZQTDXYONHCEL-OPRDCNLKSA-N -1 0 300.311 -0.177 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN(c3nc[nH]n3)CC2)O[C@H]1C(=O)[O-] ZINC001599875109 1017650438 /nfs/dbraw/zinc/65/04/38/1017650438.db2.gz XUTFZYQPOZWRCX-OPRDCNLKSA-N -1 0 309.326 -0.669 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H](O)c2ccccn2)O[C@H]1C(=O)[O-] ZINC001599873708 1017651069 /nfs/dbraw/zinc/65/10/69/1017651069.db2.gz INDJLOPHRJABKV-YHALQVAKSA-N -1 0 324.333 -0.530 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001599885681 1017652640 /nfs/dbraw/zinc/65/26/40/1017652640.db2.gz MFWBCYRMQAYBBN-UTUOFQBUSA-N -1 0 300.355 -0.202 20 0 DBADRM C[C@@H]1[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1(F)F ZINC001599882200 1017652703 /nfs/dbraw/zinc/65/27/03/1017652703.db2.gz LVUDDYHQHIAIPS-BHNWBGBOSA-N -1 0 311.306 -0.012 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)C1CCCC1 ZINC001599891088 1017652946 /nfs/dbraw/zinc/65/29/46/1017652946.db2.gz FUNBPLSDBXRKHL-WCQGTBRESA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1C[C@H](C(=O)OC2CCS(=O)(=O)CC2)O[C@H]1C(=O)[O-] ZINC001599878919 1017653142 /nfs/dbraw/zinc/65/31/42/1017653142.db2.gz LEUGQCRFCFNZCI-SZEHBUNVSA-N -1 0 306.336 -0.015 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1CCC(=O)N1C ZINC001599891946 1017654486 /nfs/dbraw/zinc/65/44/86/1017654486.db2.gz VLSLPIQIEBIODS-PSASIEDQSA-N -1 0 321.337 -0.288 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001599895063 1017654833 /nfs/dbraw/zinc/65/48/33/1017654833.db2.gz FKQGLPADDNPGLS-XHNCKOQMSA-N -1 0 311.338 -0.909 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCc2nncn2CC1)C(=O)[O-] ZINC001599895154 1017654993 /nfs/dbraw/zinc/65/49/93/1017654993.db2.gz JAQWBSKYUZPPGF-LPEHRKFASA-N -1 0 323.353 -0.675 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001599891895 1017655367 /nfs/dbraw/zinc/65/53/67/1017655367.db2.gz UGDYQXUWTHFWRJ-SSDOTTSWSA-N -1 0 320.309 -0.156 20 0 DBADRM C[C@H](NC(=O)[C@H](C)N1C(=O)[C@@H]2C[C@H](F)CN2C1=O)C(=O)[O-] ZINC001599895353 1017655383 /nfs/dbraw/zinc/65/53/83/1017655383.db2.gz NZIQXCPLGKVJSG-XAMCCFCMSA-N -1 0 301.274 -0.661 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001599896118 1017655504 /nfs/dbraw/zinc/65/55/04/1017655504.db2.gz OZRQYLNOIAZGJI-YUMQZZPRSA-N -1 0 317.342 -0.395 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001599895057 1017655550 /nfs/dbraw/zinc/65/55/50/1017655550.db2.gz FKQGLPADDNPGLS-CIUDSAMLSA-N -1 0 311.338 -0.909 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCC1(CCO)CC1)C(=O)[O-] ZINC001599896788 1017656410 /nfs/dbraw/zinc/65/64/10/1017656410.db2.gz OJPWNYDUDDQORD-IUCAKERBSA-N -1 0 301.343 -0.574 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@H](n2cccn2)C1)C(=O)[O-] ZINC001599897825 1017656966 /nfs/dbraw/zinc/65/69/66/1017656966.db2.gz OFEJZKRXWQYPFK-DCAQKATOSA-N -1 0 323.353 -0.183 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCCc1cnccn1)C(=O)[O-] ZINC001599897384 1017657125 /nfs/dbraw/zinc/65/71/25/1017657125.db2.gz FHVBQYJIEBHPQD-IUCAKERBSA-N -1 0 309.326 -0.704 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H](C(N)=O)C(C)(C)C)C(=O)[O-] ZINC001599898378 1017657128 /nfs/dbraw/zinc/65/71/28/1017657128.db2.gz WKUVWNRKKAKFTK-BIIVOSGPSA-N -1 0 316.358 -0.837 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCCO[C@H]1CCOC1)C(=O)[O-] ZINC001599897986 1017657184 /nfs/dbraw/zinc/65/71/84/1017657184.db2.gz RBUCYIIOBVOCIS-GUBZILKMSA-N -1 0 317.342 -0.931 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCCCn1cccn1)C(=O)[O-] ZINC001599898633 1017657302 /nfs/dbraw/zinc/65/73/02/1017657302.db2.gz YUVNTQABLPMKDM-UWVGGRQHSA-N -1 0 311.342 -0.450 20 0 DBADRM C[C@H](O)C1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC001599903351 1017657998 /nfs/dbraw/zinc/65/79/98/1017657998.db2.gz JFDOZALYCGKDEH-JFGNBEQYSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)Nc1cccc(C(N)=O)c1)C(=O)[O-] ZINC001599899622 1017658166 /nfs/dbraw/zinc/65/81/66/1017658166.db2.gz NYXAIFVXPKEPEZ-YUMQZZPRSA-N -1 0 322.321 -0.115 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cc2n(n1)CCC[C@@H]2O)C(=O)[O-] ZINC001599899756 1017659182 /nfs/dbraw/zinc/65/91/82/1017659182.db2.gz PTSAAKARLQZBDU-LAEOZQHASA-N -1 0 324.337 -0.582 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)Nc1ccnc2ccnn21)C(=O)[O-] ZINC001599899055 1017659250 /nfs/dbraw/zinc/65/92/50/1017659250.db2.gz DZGBNCUDSVQXFI-YUMQZZPRSA-N -1 0 320.309 -0.171 20 0 DBADRM C[C@H]1C(=O)NCCCN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001599905525 1017659292 /nfs/dbraw/zinc/65/92/92/1017659292.db2.gz PBTHRQRFJFPCQL-JTQLQIEISA-N -1 0 313.354 -0.212 20 0 DBADRM C[C@H](O)CN1CCN(S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC001599903438 1017659338 /nfs/dbraw/zinc/65/93/38/1017659338.db2.gz NVPBHWMGUALLEA-VIFPVBQESA-N -1 0 318.351 -0.335 20 0 DBADRM C[C@H]1C(=O)NCCCN1C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001599905625 1017659593 /nfs/dbraw/zinc/65/95/93/1017659593.db2.gz SZRTYISARBUGES-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cnn(CCF)c1)C(=O)[O-] ZINC001599899080 1017659601 /nfs/dbraw/zinc/65/96/01/1017659601.db2.gz REJWVLXJIBYSQX-YUMQZZPRSA-N -1 0 300.290 -0.440 20 0 DBADRM COc1cccnc1C(=O)N[C@@H](C)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001498172866 1017660378 /nfs/dbraw/zinc/66/03/78/1017660378.db2.gz YAXMXHZFGPQXAC-QMMMGPOBSA-N -1 0 306.326 -0.178 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(O)C2)CC[C@H]1C(=O)[O-] ZINC001599910366 1017660865 /nfs/dbraw/zinc/66/08/65/1017660865.db2.gz SKHBJFUSTHJHRQ-FIXISWKDSA-N -1 0 312.366 -0.071 20 0 DBADRM CC/C(C)=C/C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001498170561 1017661116 /nfs/dbraw/zinc/66/11/16/1017661116.db2.gz LASNGTRTEQFIAG-XBXARRHUSA-N -1 0 309.326 -0.627 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CCO)C[C@@H](C(=O)[O-])O1 ZINC001599910219 1017661730 /nfs/dbraw/zinc/66/17/30/1017661730.db2.gz NWBWHCMZOCBZBG-AXFHLTTASA-N -1 0 314.338 -0.940 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC[NH2+]1 ZINC001599911323 1017662572 /nfs/dbraw/zinc/66/25/72/1017662572.db2.gz ZKNIRHIOGCUVJZ-RWSFTLGLSA-N -1 0 309.366 -0.338 20 0 DBADRM C[C@H]1CN(C(=O)[C@H](c2cncn2C)N(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599913878 1017663000 /nfs/dbraw/zinc/66/30/00/1017663000.db2.gz ZKOOWGDFDVNUEH-DLOVCJGASA-N -1 0 310.354 -0.277 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2cccn2C)C[C@@H](C(=O)[O-])O1 ZINC001599911395 1017663291 /nfs/dbraw/zinc/66/32/91/1017663291.db2.gz DRYBHBQCTOUTNV-ONGXEEELSA-N -1 0 309.322 -0.658 20 0 DBADRM C[C@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@]1(C)C(=O)[O-] ZINC001599916369 1017663615 /nfs/dbraw/zinc/66/36/15/1017663615.db2.gz AUOKNFWTUBHPTQ-RTHLEPHNSA-N -1 0 311.338 -0.114 20 0 DBADRM C[C@H]1CN(C(=O)CCCCCS(N)(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC001599916210 1017663961 /nfs/dbraw/zinc/66/39/61/1017663961.db2.gz QEFVVLBNBQYEGT-UWVGGRQHSA-N -1 0 322.383 -0.464 20 0 DBADRM C[C@H]1CN(CC(=O)N2CCOC[C@@H]2C2CC2)C[C@@H](C(=O)[O-])O1 ZINC001599927579 1017665205 /nfs/dbraw/zinc/66/52/05/1017665205.db2.gz DWTQAQATROFXQK-UHTWSYAYSA-N -1 0 312.366 -0.202 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)C[C@]1(C)C(=O)[O-] ZINC001599920404 1017665672 /nfs/dbraw/zinc/66/56/72/1017665672.db2.gz RWIAXAHQBAVBEM-UPFKWVMWSA-N -1 0 312.326 -0.631 20 0 DBADRM C[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])nn2C)CCS1(=O)=O ZINC001599922176 1017665815 /nfs/dbraw/zinc/66/58/15/1017665815.db2.gz YDYUPAQWNLIEPX-ZETCQYMHSA-N -1 0 316.339 -0.231 20 0 DBADRM C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001599934235 1017667458 /nfs/dbraw/zinc/66/74/58/1017667458.db2.gz OGEKGZAACCUDOK-UKKRHICBSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@H]1CN(c2nnc(-c3nccn3C)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599931571 1017668776 /nfs/dbraw/zinc/66/87/76/1017668776.db2.gz AKNDWWPJUYHXMH-IUCAKERBSA-N -1 0 306.326 -0.106 20 0 DBADRM C[C@H]1CN(Cn2nc3n(c2=O)CCCCC3)C[C@@H](C(=O)[O-])O1 ZINC001599930590 1017668992 /nfs/dbraw/zinc/66/89/92/1017668992.db2.gz MTFYWTQMILALPG-QWRGUYRKSA-N -1 0 310.354 -0.097 20 0 DBADRM C[C@H]1CN(c2nnc([C@@H]3CCC(=O)NC3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599935186 1017669413 /nfs/dbraw/zinc/66/94/13/1017669413.db2.gz MGHZCKGVOLJOEC-AEJSXWLSSA-N -1 0 323.353 -0.513 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CNC1(C(N)=O)CCOCC1 ZINC001599960802 1017670534 /nfs/dbraw/zinc/67/05/34/1017670534.db2.gz NXTGYMYZNIRDOI-UHFFFAOYSA-N -1 0 309.322 -0.172 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCN(C)S1(=O)=O ZINC001599959106 1017670666 /nfs/dbraw/zinc/67/06/66/1017670666.db2.gz PYXWFGFHFGMIGB-UHFFFAOYSA-N -1 0 301.324 -0.304 20 0 DBADRM Cc1nc[nH]c1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001599967536 1017671277 /nfs/dbraw/zinc/67/12/77/1017671277.db2.gz IKWGTMJZXFQQEJ-MRVPVSSYSA-N -1 0 301.324 -0.568 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001599941661 1017671352 /nfs/dbraw/zinc/67/13/52/1017671352.db2.gz WIWTZWZPWCWCSK-JTQLQIEISA-N -1 0 321.293 -0.586 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)O[C@@H](C)C(=O)C(=O)[O-] ZINC001599967245 1017671735 /nfs/dbraw/zinc/67/17/35/1017671735.db2.gz ZULYEQWKSRKOOT-ZETCQYMHSA-N -1 0 307.262 -0.541 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599940324 1017671840 /nfs/dbraw/zinc/67/18/40/1017671840.db2.gz GGZSTHPQCJWDDB-DTWKUNHWSA-N -1 0 322.321 -0.573 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001599940683 1017672278 /nfs/dbraw/zinc/67/22/78/1017672278.db2.gz NPYPSYDMAPMTNF-AWEZNQCLSA-N -1 0 324.337 -0.575 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NN1CCS(=O)(=O)CC1 ZINC001599957102 1017672411 /nfs/dbraw/zinc/67/24/11/1017672411.db2.gz DJYPJLPFLVYRHW-UHFFFAOYSA-N -1 0 315.351 -0.295 20 0 DBADRM Cc1[nH]nc2ncc(C(=O)N[C@@H](Cn3cncn3)C(=O)[O-])cc12 ZINC001599968580 1017673321 /nfs/dbraw/zinc/67/33/21/1017673321.db2.gz GBYFOJFJFJSIIR-JTQLQIEISA-N -1 0 315.293 -0.259 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001599969276 1017673377 /nfs/dbraw/zinc/67/33/77/1017673377.db2.gz ALVQRGGBPKTJIZ-SSDOTTSWSA-N -1 0 305.312 -0.787 20 0 DBADRM Cc1nc[nH]c1CC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001599968062 1017673675 /nfs/dbraw/zinc/67/36/75/1017673675.db2.gz JDRNQQRTHFIPSK-GHMZBOCLSA-N -1 0 320.349 -0.444 20 0 DBADRM Cc1[nH]nc2ncc(C(=O)N[C@H](Cn3cncn3)C(=O)[O-])cc12 ZINC001599968581 1017674681 /nfs/dbraw/zinc/67/46/81/1017674681.db2.gz GBYFOJFJFJSIIR-SNVBAGLBSA-N -1 0 315.293 -0.259 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599968080 1017674958 /nfs/dbraw/zinc/67/49/58/1017674958.db2.gz JXCVQCUTJZUQEF-NAKRPEOUSA-N -1 0 320.349 -0.255 20 0 DBADRM Cc1c(C(=O)N2CC3CC2(C(=O)[O-])C3)nnn1-c1cnn(C)c1 ZINC001599976265 1017675312 /nfs/dbraw/zinc/67/53/12/1017675312.db2.gz WGUDYFCBTLFPCU-UHFFFAOYSA-N -1 0 316.321 -0.002 20 0 DBADRM Cc1c(C(=O)O[C@@H](C)C(=O)C(=O)[O-])cccc1S(N)(=O)=O ZINC001600005105 1017676251 /nfs/dbraw/zinc/67/62/51/1017676251.db2.gz HOGNRVWRGMENGA-ZETCQYMHSA-N -1 0 315.303 -0.159 20 0 DBADRM Cc1c(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])nnn1C ZINC001599980906 1017676282 /nfs/dbraw/zinc/67/62/82/1017676282.db2.gz ZEVGWVULUKIYDG-RKDXNWHRSA-N -1 0 309.326 -0.968 20 0 DBADRM Cc1c(C(=O)NCC(=O)NCC(=O)[O-])nnn1CC1CCCC1 ZINC001599981126 1017676595 /nfs/dbraw/zinc/67/65/95/1017676595.db2.gz ZCCVOMWTOJDUHK-UHFFFAOYSA-N -1 0 323.353 -0.293 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)[C@@H]2CSCC(=O)N2)n1C ZINC001599993505 1017676934 /nfs/dbraw/zinc/67/69/34/1017676934.db2.gz ULULQEDEVIDPRP-JTQLQIEISA-N -1 0 311.363 -0.120 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC(C)(O)CC2)cnn1CC(=O)[O-] ZINC001600025701 1017677857 /nfs/dbraw/zinc/67/78/57/1017677857.db2.gz HZNHLVTZBXUNIL-UHFFFAOYSA-N -1 0 324.337 -0.412 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cccc1C(N)=O ZINC001600025429 1017677958 /nfs/dbraw/zinc/67/79/58/1017677958.db2.gz VNTCICXLZWMPAD-SECBINFHSA-N -1 0 319.317 -0.034 20 0 DBADRM Cc1c(CC(=O)OCCc2cn(CC(=O)[O-])nn2)cnn1C ZINC001600010954 1017678132 /nfs/dbraw/zinc/67/81/32/1017678132.db2.gz BNZUMEMMOFLEDP-UHFFFAOYSA-N -1 0 307.310 -0.267 20 0 DBADRM Cc1c(CC(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])cnn1C ZINC001600012023 1017678225 /nfs/dbraw/zinc/67/82/25/1017678225.db2.gz XJDVNBGYRIBDHA-UHFFFAOYSA-N -1 0 323.309 -0.298 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@]2(CC(=O)[O-])CCOC2)cnn1C ZINC001600027308 1017678491 /nfs/dbraw/zinc/67/84/91/1017678491.db2.gz GKZHBGJVTWKZRZ-ZDUSSCGKSA-N -1 0 310.310 -0.583 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cnn1C ZINC001600026081 1017678570 /nfs/dbraw/zinc/67/85/70/1017678570.db2.gz ZTKPOVJKRHJCES-QMMMGPOBSA-N -1 0 316.264 -0.012 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@@H](C)OC[C@H]2C)cnn1CC(=O)[O-] ZINC001600026071 1017678647 /nfs/dbraw/zinc/67/86/47/1017678647.db2.gz ZOJRELNJFAPZFQ-RKDXNWHRSA-N -1 0 324.337 -0.150 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@H](CO)C2)cnn1CC(=O)[O-] ZINC001600027247 1017678667 /nfs/dbraw/zinc/67/86/67/1017678667.db2.gz UYXMUAMJQSIRTO-VIFPVBQESA-N -1 0 310.310 -0.945 20 0 DBADRM Cc1c(NC(=O)C(=O)NCc2ccncc2)cnn1CC(=O)[O-] ZINC001600029946 1017680407 /nfs/dbraw/zinc/68/04/07/1017680407.db2.gz WDNRJTJAWYXJMK-UHFFFAOYSA-N -1 0 317.305 -0.074 20 0 DBADRM Cc1c(NC(=O)[C@H]2CCN=C3C2=NNN3C)cnn1CC(=O)[O-] ZINC001600032687 1017680460 /nfs/dbraw/zinc/68/04/60/1017680460.db2.gz OTVAYMUMRUEXJY-QMMMGPOBSA-N -1 0 319.325 -0.561 20 0 DBADRM Cc1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])co1 ZINC001600079189 1017681343 /nfs/dbraw/zinc/68/13/43/1017681343.db2.gz GKXAXLFBDAZTCT-VXGBXAGGSA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])nc(C)n1 ZINC001600080395 1017681449 /nfs/dbraw/zinc/68/14/49/1017681449.db2.gz WZJXMLIYGKWVOX-UHFFFAOYSA-N -1 0 322.365 -0.048 20 0 DBADRM Cc1cc(=O)c(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cn1C ZINC001600065558 1017681472 /nfs/dbraw/zinc/68/14/72/1017681472.db2.gz LNVZUCMTVBHEAV-NSHDSACASA-N -1 0 304.306 -0.157 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600060971 1017681536 /nfs/dbraw/zinc/68/15/36/1017681536.db2.gz SGTUJKSRFBDAKU-AATLWQCWSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001600060376 1017681663 /nfs/dbraw/zinc/68/16/63/1017681663.db2.gz PMYZLSNWUPDODP-CQSZACIVSA-N -1 0 309.322 -0.428 20 0 DBADRM Cc1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])co1 ZINC001600079180 1017681784 /nfs/dbraw/zinc/68/17/84/1017681784.db2.gz GKXAXLFBDAZTCT-NEPJUHHUSA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600061055 1017682003 /nfs/dbraw/zinc/68/20/03/1017682003.db2.gz WTLGALLERRONFA-NXEZZACHSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1c[nH]c(C(=O)NC[C@H](C)Nc2ccnc(C(=O)[O-])n2)n1 ZINC001600060766 1017682138 /nfs/dbraw/zinc/68/21/38/1017682138.db2.gz OCEMZQYIRFMGJG-ZETCQYMHSA-N -1 0 304.310 -0.141 20 0 DBADRM Cc1c[nH]c(C(=O)NCC=CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600060495 1017682256 /nfs/dbraw/zinc/68/22/56/1017682256.db2.gz LACNCDFLTIFXSO-LTFJCZIQSA-N -1 0 306.322 -0.159 20 0 DBADRM Cc1cc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cnn1 ZINC001600079875 1017682541 /nfs/dbraw/zinc/68/25/41/1017682541.db2.gz CASZYSIRMCDJGA-RYUDHWBXSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1cc(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)oc1C(=O)[O-] ZINC001600083423 1017683456 /nfs/dbraw/zinc/68/34/56/1017683456.db2.gz YIQHHKZXOKUHSY-SECBINFHSA-N -1 0 310.306 -0.049 20 0 DBADRM Cc1cc(C(=O)NCC(=O)NCC(=O)[O-])c2cnn(C)c2n1 ZINC001600091358 1017683937 /nfs/dbraw/zinc/68/39/37/1017683937.db2.gz PTIWFPVZZAJYOB-UHFFFAOYSA-N -1 0 305.294 -0.793 20 0 DBADRM Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001600093547 1017684138 /nfs/dbraw/zinc/68/41/38/1017684138.db2.gz GMBAUWAGFYRLEQ-NXEZZACHSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1cc(C(=O)N2CC[C@H](Nc3ccnc(C(=O)[O-])n3)C2)[nH]n1 ZINC001600081626 1017684186 /nfs/dbraw/zinc/68/41/86/1017684186.db2.gz NIQAXMSKKHYZJV-VIFPVBQESA-N -1 0 316.321 -0.045 20 0 DBADRM Cc1cc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)oc1C(=O)[O-] ZINC001600092996 1017684374 /nfs/dbraw/zinc/68/43/74/1017684374.db2.gz BWIZNWFOSLUUAY-GFCCVEGCSA-N -1 0 317.319 -0.434 20 0 DBADRM Cc1cc(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)cnn1 ZINC001600093947 1017684481 /nfs/dbraw/zinc/68/44/81/1017684481.db2.gz DICJDVQXLDWDPT-JOYOIKCWSA-N -1 0 313.335 -0.597 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])ncn1 ZINC001600085824 1017684488 /nfs/dbraw/zinc/68/44/88/1017684488.db2.gz YXMFPXUYASQLMN-SECBINFHSA-N -1 0 313.335 -0.501 20 0 DBADRM Cc1cc2nc(C)cc(C(=O)NCC(=O)NCC(=O)[O-])n2n1 ZINC001600090748 1017684494 /nfs/dbraw/zinc/68/44/94/1017684494.db2.gz CMYHTYQWRGHPOW-UHFFFAOYSA-N -1 0 305.294 -0.723 20 0 DBADRM Cc1cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])ccc1-n1cnnn1 ZINC001600084092 1017684556 /nfs/dbraw/zinc/68/45/56/1017684556.db2.gz NWBSYYMOYVQAHM-PWSUYJOCSA-N -1 0 317.305 -0.369 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@@H](CO)CN1CCOCC1 ZINC001600131129 1017685422 /nfs/dbraw/zinc/68/54/22/1017685422.db2.gz KYIIUMDOSQUBAX-SNVBAGLBSA-N -1 0 312.322 -0.291 20 0 DBADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(=O)N(C)CC(N)=O ZINC001600152975 1017685430 /nfs/dbraw/zinc/68/54/30/1017685430.db2.gz AAIWVMCSHPITJN-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM Cc1cc(C(=O)[O-])c(NC(=O)C(=O)N2CC(=O)N(C)C2)s1 ZINC001600103989 1017685444 /nfs/dbraw/zinc/68/54/44/1017685444.db2.gz XLKQYKRLLWSIIZ-UHFFFAOYSA-N -1 0 311.319 -0.049 20 0 DBADRM Cc1cc(C(=O)[O-])nc(NC2CN(S(=O)(=O)N(C)C)C2)n1 ZINC001600128238 1017685475 /nfs/dbraw/zinc/68/54/75/1017685475.db2.gz XXMPNHACLLDNQM-UHFFFAOYSA-N -1 0 315.355 -0.614 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N(C)C[C@H](O)CO ZINC001600118961 1017685485 /nfs/dbraw/zinc/68/54/85/1017685485.db2.gz HRIBUTYGJWTCHS-JTQLQIEISA-N -1 0 310.306 -0.557 20 0 DBADRM Cc1cc(C(=O)[O-])nc(NC[C@@]2(O)CCS(=O)(=O)C2)n1 ZINC001600128893 1017685513 /nfs/dbraw/zinc/68/55/13/1017685513.db2.gz WIKJHWVWKBDKII-NSHDSACASA-N -1 0 301.324 -0.555 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)ncn1 ZINC001600097206 1017685807 /nfs/dbraw/zinc/68/58/07/1017685807.db2.gz YQCFEQFPXGUBET-GWOFURMSSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1cc(C(=O)[O-])nc(NC[C@]2(O)CCS(=O)(=O)C2)n1 ZINC001600128892 1017686109 /nfs/dbraw/zinc/68/61/09/1017686109.db2.gz WIKJHWVWKBDKII-LLVKDONJSA-N -1 0 301.324 -0.555 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001600130450 1017686117 /nfs/dbraw/zinc/68/61/17/1017686117.db2.gz CFUHSZDYLVWMFI-OAHLLOKOSA-N -1 0 324.333 -0.195 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CC(CC(N)=O)C1 ZINC001600119145 1017686186 /nfs/dbraw/zinc/68/61/86/1017686186.db2.gz JWAWPNKHFOYGOM-UHFFFAOYSA-N -1 0 319.317 -0.034 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCSC[C@@H]2C(=O)[O-])c(=O)n1 ZINC001600177211 1017687297 /nfs/dbraw/zinc/68/72/97/1017687297.db2.gz AZJFJGAPZJRVDT-SNVBAGLBSA-N -1 0 311.363 -0.111 20 0 DBADRM Cc1cc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n[nH]1 ZINC001600187428 1017687445 /nfs/dbraw/zinc/68/74/45/1017687445.db2.gz ZPSGZKXTSJVRCY-IQIPOGNMSA-N -1 0 320.349 -0.255 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600178473 1017687761 /nfs/dbraw/zinc/68/77/61/1017687761.db2.gz WDHGZKISQXTSMT-VXGBXAGGSA-N -1 0 320.349 -0.452 20 0 DBADRM Cc1cc(C2(C(=O)NCCNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)on1 ZINC001600183003 1017687887 /nfs/dbraw/zinc/68/78/87/1017687887.db2.gz SHLXYMZIGKOHCZ-NXEZZACHSA-N -1 0 321.333 -0.032 20 0 DBADRM Cc1cc(C)[nH]c(=NNS(=O)(=O)c2n[nH]cc2C(=O)[O-])n1 ZINC001600183616 1017687964 /nfs/dbraw/zinc/68/79/64/1017687964.db2.gz ZXULLCUTICDUOS-UHFFFAOYSA-N -1 0 312.311 -0.180 20 0 DBADRM Cc1cc(CC(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])no1 ZINC001600187475 1017688081 /nfs/dbraw/zinc/68/80/81/1017688081.db2.gz JNSREXFLRUCBOU-JTQLQIEISA-N -1 0 316.335 -0.374 20 0 DBADRM Cc1cc(CNC(=O)Cn2ccc(=O)[nH]c2=O)oc1C(=O)[O-] ZINC001600199827 1017689005 /nfs/dbraw/zinc/68/90/05/1017689005.db2.gz OUHLMBULGCKZSQ-UHFFFAOYSA-N -1 0 307.262 -0.135 20 0 DBADRM Cc1cc(C[S@@](=O)CCc2cn(CC(=O)[O-])nn2)nn1C ZINC001600216106 1017689037 /nfs/dbraw/zinc/68/90/37/1017689037.db2.gz UKJKKRUSMCRZAZ-NRFANRHFSA-N -1 0 311.367 -0.104 20 0 DBADRM Cc1cc(CNC(=O)NCCNS(C)(=O)=O)oc1C(=O)[O-] ZINC001600201211 1017689195 /nfs/dbraw/zinc/68/91/95/1017689195.db2.gz XQTWWWXCKVNRTF-UHFFFAOYSA-N -1 0 319.339 -0.365 20 0 DBADRM Cc1cc(F)cc(-n2cc(C(=O)N[C@@H](CO)C(=O)[O-])nn2)c1 ZINC001600228853 1017689432 /nfs/dbraw/zinc/68/94/32/1017689432.db2.gz NYDGYEZUKUEHML-NSHDSACASA-N -1 0 308.269 -0.110 20 0 DBADRM Cc1cc(CNC(=O)C2=NN(CCO)C(=O)CC2)oc1C(=O)[O-] ZINC001600199285 1017689543 /nfs/dbraw/zinc/68/95/43/1017689543.db2.gz ZYQVUKBJPHAWSW-UHFFFAOYSA-N -1 0 323.305 -0.127 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])no1 ZINC001600215398 1017689571 /nfs/dbraw/zinc/68/95/71/1017689571.db2.gz DAXRINBYVLIISY-UWVGGRQHSA-N -1 0 304.324 -0.277 20 0 DBADRM Cc1cc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])ncn1 ZINC001600196035 1017689671 /nfs/dbraw/zinc/68/96/71/1017689671.db2.gz IRJGRMLLARVGBN-QWRGUYRKSA-N -1 0 319.321 -0.636 20 0 DBADRM Cc1cc(CNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)n(C)n1 ZINC001600197566 1017689684 /nfs/dbraw/zinc/68/96/84/1017689684.db2.gz WETWBWIREATOSV-UHFFFAOYSA-N -1 0 320.309 -0.585 20 0 DBADRM Cc1cc(CN2CCN3[C@H](CNS3(=O)=O)C2)oc1C(=O)[O-] ZINC001600194493 1017689811 /nfs/dbraw/zinc/68/98/11/1017689811.db2.gz KXPNYEMZEAPZGS-SECBINFHSA-N -1 0 315.351 -0.380 20 0 DBADRM Cc1cc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)ncn1 ZINC001600198647 1017690000 /nfs/dbraw/zinc/69/00/00/1017690000.db2.gz UFAGYODJQLPIPT-LLVKDONJSA-N -1 0 306.322 -0.276 20 0 DBADRM Cc1cc(N(C)CCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nc(CO)n1 ZINC001600235638 1017690044 /nfs/dbraw/zinc/69/00/44/1017690044.db2.gz HCKJEMULQHMHJY-GHMZBOCLSA-N -1 0 322.365 -0.059 20 0 DBADRM Cc1cc(CNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)no1 ZINC001600197234 1017690053 /nfs/dbraw/zinc/69/00/53/1017690053.db2.gz AOAUOTOAQUSZDL-UHFFFAOYSA-N -1 0 307.266 -0.330 20 0 DBADRM Cc1cc(CS(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)on1 ZINC001600215766 1017690295 /nfs/dbraw/zinc/69/02/95/1017690295.db2.gz LJIVCGRDIYSTJU-UHFFFAOYSA-N -1 0 304.324 -0.372 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cn(C)c1=O ZINC001600245081 1017691460 /nfs/dbraw/zinc/69/14/60/1017691460.db2.gz ZZZZPAMCBREKOW-HNNXBMFYSA-N -1 0 321.333 -0.045 20 0 DBADRM Cc1cc(N2CC(=O)N(C)C[C@H]2C)n2nc(C(=O)[O-])nc2n1 ZINC001600237632 1017691516 /nfs/dbraw/zinc/69/15/16/1017691516.db2.gz VBWXUOMAYWEUSK-MRVPVSSYSA-N -1 0 304.310 -0.202 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H]2CCCCNC2=O)c(C(=O)[O-])[nH]1 ZINC001600246918 1017691633 /nfs/dbraw/zinc/69/16/33/1017691633.db2.gz GOMFZCLLVSJMCX-QMMMGPOBSA-N -1 0 322.321 -0.255 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)ccn1 ZINC001600245064 1017691858 /nfs/dbraw/zinc/69/18/58/1017691858.db2.gz KBXRWHSTEQVANY-ONGXEEELSA-N -1 0 307.306 -0.549 20 0 DBADRM Cc1cc(N2CCC[C@H](NC(=O)COCC(=O)[O-])C2)n(C)n1 ZINC001600240119 1017692153 /nfs/dbraw/zinc/69/21/53/1017692153.db2.gz QJAQSKJFQPIGLQ-NSHDSACASA-N -1 0 310.354 -0.085 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)c(C(=O)[O-])[nH]1 ZINC001600248142 1017693357 /nfs/dbraw/zinc/69/33/57/1017693357.db2.gz DIKNPEDBBGYUHC-ZDUSSCGKSA-N -1 0 311.294 -0.773 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N[C@H](C(=O)[O-])c1ccn(C)n1 ZINC001600286826 1017693930 /nfs/dbraw/zinc/69/39/30/1017693930.db2.gz WVXYJSZILRITPV-ZDUSSCGKSA-N -1 0 320.305 -0.462 20 0 DBADRM Cc1cc(NCCNC(=O)Cn2cc(C(=O)[O-])nn2)n(C)n1 ZINC001600280852 1017693952 /nfs/dbraw/zinc/69/39/52/1017693952.db2.gz DRXREMQCXCNXSX-UHFFFAOYSA-N -1 0 307.314 -0.753 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001600284730 1017693976 /nfs/dbraw/zinc/69/39/76/1017693976.db2.gz VNOFKFNMPBIMSN-JQWIXIFHSA-N -1 0 324.333 -0.047 20 0 DBADRM Cc1cc(S(=O)(=O)NCc2cnn(C)n2)oc1C(=O)[O-] ZINC001600300332 1017695658 /nfs/dbraw/zinc/69/56/58/1017695658.db2.gz KXIIKDFZTYBDEX-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CN1C(=O)CNC1=O ZINC001600289223 1017695723 /nfs/dbraw/zinc/69/57/23/1017695723.db2.gz STKQWXFOXOZXOR-UHFFFAOYSA-N -1 0 321.289 -0.051 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001600302197 1017695817 /nfs/dbraw/zinc/69/58/17/1017695817.db2.gz LKWMBJPVUIIINN-ZETCQYMHSA-N -1 0 318.307 -0.839 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)cnc1N ZINC001600297248 1017695870 /nfs/dbraw/zinc/69/58/70/1017695870.db2.gz NLYBMGMKYHKXIW-GFCCVEGCSA-N -1 0 315.351 -0.116 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCN(CCO)CC2)oc1C(=O)[O-] ZINC001600293599 1017695911 /nfs/dbraw/zinc/69/59/11/1017695911.db2.gz MRQUMSSHEAEMOJ-UHFFFAOYSA-N -1 0 318.351 -0.415 20 0 DBADRM Cc1cc(S(=O)(=O)N2CC[C@H](O)[C@@H](CO)C2)oc1C(=O)[O-] ZINC001600294337 1017695979 /nfs/dbraw/zinc/69/59/79/1017695979.db2.gz BWDQTBNMVYNRCH-BDAKNGLRSA-N -1 0 319.335 -0.350 20 0 DBADRM Cc1cc(S(=O)(=O)NC[C@@H]2COCCN2)oc1C(=O)[O-] ZINC001600298997 1017696071 /nfs/dbraw/zinc/69/60/71/1017696071.db2.gz PTNHLTWCAKDEGP-MRVPVSSYSA-N -1 0 304.324 -0.447 20 0 DBADRM Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@H](O)CC(=O)[O-] ZINC001600302034 1017696224 /nfs/dbraw/zinc/69/62/24/1017696224.db2.gz JDWBSYXPACQYFR-ZCFIWIBFSA-N -1 0 322.364 -0.731 20 0 DBADRM Cc1ccc(-c2nnn(CC(=O)N[C@@H](CO)C(=O)[O-])n2)cc1 ZINC001600320190 1017696384 /nfs/dbraw/zinc/69/63/84/1017696384.db2.gz CZDVSLVYPXBFED-JTQLQIEISA-N -1 0 305.294 -0.790 20 0 DBADRM Cc1ccc(C(=O)NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001600335851 1017697281 /nfs/dbraw/zinc/69/72/81/1017697281.db2.gz HQTDAGVKVLGZCL-UWVGGRQHSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1ccc(C(=O)NCCC(=O)NC[C@H](O)CC(=O)[O-])c(O)c1 ZINC001600339506 1017697957 /nfs/dbraw/zinc/69/79/57/1017697957.db2.gz KLJQGKUEZPXCEP-SNVBAGLBSA-N -1 0 324.333 -0.228 20 0 DBADRM Cc1ccc(CN(C)C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)s1 ZINC001600409705 1017698405 /nfs/dbraw/zinc/69/84/05/1017698405.db2.gz ALYDLZTYPQCSKO-UHFFFAOYSA-N -1 0 312.347 -0.327 20 0 DBADRM Cc1ccc(CCC(=O)NCC(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC001600405965 1017698552 /nfs/dbraw/zinc/69/85/52/1017698552.db2.gz PTWAEPWCTNWDAC-LBPRGKRZSA-N -1 0 308.334 -0.394 20 0 DBADRM Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])CC2=O)cc1 ZINC001600436241 1017699541 /nfs/dbraw/zinc/69/95/41/1017699541.db2.gz VPGYOENLUYBSQW-JQWIXIFHSA-N -1 0 306.318 -0.090 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cc1 ZINC001600438192 1017699689 /nfs/dbraw/zinc/69/96/89/1017699689.db2.gz BKSBRDNIXNZBAN-LLVKDONJSA-N -1 0 319.317 -0.313 20 0 DBADRM Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@](C)(CO)C(=O)[O-])c1 ZINC001600484354 1017699725 /nfs/dbraw/zinc/69/97/25/1017699725.db2.gz XERJKRUWKHBOEV-LBPRGKRZSA-N -1 0 316.335 -0.792 20 0 DBADRM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N[C@@H](CO)C(=O)[O-])C2=O ZINC001600492295 1017699917 /nfs/dbraw/zinc/69/99/17/1017699917.db2.gz DUDRKNJWQUOVKH-KWQFWETISA-N -1 0 320.301 -0.459 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c(=O)[nH]1 ZINC001600438857 1017699961 /nfs/dbraw/zinc/69/99/61/1017699961.db2.gz GIPBDCUERLSBRC-UWVGGRQHSA-N -1 0 323.305 -0.529 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)c(C(=O)[O-])c1 ZINC001600440015 1017700315 /nfs/dbraw/zinc/70/03/15/1017700315.db2.gz MRNJAWMLSQOHQK-UWVGGRQHSA-N -1 0 322.317 -0.414 20 0 DBADRM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600485363 1017700446 /nfs/dbraw/zinc/70/04/46/1017700446.db2.gz SOQXCLKYCMIKMU-UHFFFAOYSA-N -1 0 313.331 -0.330 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)N[C@@H](CCF)C(=O)[O-])c(=O)c1 ZINC001600595657 1017701087 /nfs/dbraw/zinc/70/10/87/1017701087.db2.gz SCXBXOCGCACXFE-IINYFYTJSA-N -1 0 314.313 -0.163 20 0 DBADRM Cc1cccc2c(=O)n(CCC(=O)N[C@@H](CO)C(=O)[O-])cnc12 ZINC001600555850 1017701365 /nfs/dbraw/zinc/70/13/65/1017701365.db2.gz RDVZKDNFXDNVEC-NSHDSACASA-N -1 0 319.317 -0.343 20 0 DBADRM Cc1ccccc1C(=O)NCC(=O)NCC(=O)NCC(=O)[O-] ZINC001600564886 1017701883 /nfs/dbraw/zinc/70/18/83/1017701883.db2.gz WUPDCNHZFBKHDW-UHFFFAOYSA-N -1 0 307.306 -0.958 20 0 DBADRM Cc1ccccc1NC(=O)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001600582446 1017701897 /nfs/dbraw/zinc/70/18/97/1017701897.db2.gz RZRMVNCTRIHTSG-NSHDSACASA-N -1 0 319.317 -0.313 20 0 DBADRM Cc1ccn(CC(=O)N[C@H](CC2OCCO2)C(=O)[O-])c(=O)c1 ZINC001600595381 1017702459 /nfs/dbraw/zinc/70/24/59/1017702459.db2.gz OXCOLNCXEKSANZ-SNVBAGLBSA-N -1 0 310.306 -0.511 20 0 DBADRM Cc1ccnn1CC(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001600606018 1017702812 /nfs/dbraw/zinc/70/28/12/1017702812.db2.gz HMWPHGMGXAICEU-VIFPVBQESA-N -1 0 318.337 -0.282 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600611218 1017703300 /nfs/dbraw/zinc/70/33/00/1017703300.db2.gz BLNZIOFXNJYMHD-ZRUFSTJUSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1ccnc(C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)n1 ZINC001600597811 1017703486 /nfs/dbraw/zinc/70/34/86/1017703486.db2.gz SAHFZCYSFQQPCA-UHFFFAOYSA-N -1 0 316.321 -0.121 20 0 DBADRM Cc1ccnn1CC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001600607744 1017703812 /nfs/dbraw/zinc/70/38/12/1017703812.db2.gz PIPFKGFTXWIHOA-HNNXBMFYSA-N -1 0 322.365 -0.421 20 0 DBADRM Cc1ccnn1CC(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001600606017 1017704062 /nfs/dbraw/zinc/70/40/62/1017704062.db2.gz HMWPHGMGXAICEU-SECBINFHSA-N -1 0 318.337 -0.282 20 0 DBADRM Cc1cnc2nc(C(=O)N[C@@H](Cn3ccnc3)C(=O)[O-])nn2c1 ZINC001600627111 1017705691 /nfs/dbraw/zinc/70/56/91/1017705691.db2.gz MKFYKZTUROHDOZ-VIFPVBQESA-N -1 0 315.293 -0.488 20 0 DBADRM Cc1cn2c(n1)C[C@@H](C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-])CC2 ZINC001600615792 1017705733 /nfs/dbraw/zinc/70/57/33/1017705733.db2.gz WYJOKZOHZLJVMO-WDEREUQCSA-N -1 0 320.349 -0.492 20 0 DBADRM Cc1cnccc1CCNC(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001600630357 1017706606 /nfs/dbraw/zinc/70/66/06/1017706606.db2.gz XPPXMSYNSMZSCM-VXGBXAGGSA-N -1 0 305.334 -0.114 20 0 DBADRM Cc1cnn(C)c1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600635023 1017706863 /nfs/dbraw/zinc/70/68/63/1017706863.db2.gz AWHBWEGAOQNALD-QWRGUYRKSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cncn1CC(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600631870 1017707285 /nfs/dbraw/zinc/70/72/85/1017707285.db2.gz FTLSSQWIQACGQG-MNOVXSKESA-N -1 0 306.322 -0.761 20 0 DBADRM Cc1cncn1CC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600631887 1017707385 /nfs/dbraw/zinc/70/73/85/1017707385.db2.gz GBRXENDOUWPRHK-VXGBXAGGSA-N -1 0 320.349 -0.419 20 0 DBADRM Cc1cncn1CC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001600632754 1017707522 /nfs/dbraw/zinc/70/75/22/1017707522.db2.gz QILMBYCTXDOZCA-UHFFFAOYSA-N -1 0 310.354 -0.563 20 0 DBADRM Cc1cncc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1 ZINC001600628147 1017707555 /nfs/dbraw/zinc/70/75/55/1017707555.db2.gz ZREAETNJSJLYSG-GHMZBOCLSA-N -1 0 307.306 -0.235 20 0 DBADRM Cc1cnccc1CC(=O)NCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001600630109 1017707615 /nfs/dbraw/zinc/70/76/15/1017707615.db2.gz NDOCIWZBKAIJMT-RYUDHWBXSA-N -1 0 305.334 -0.114 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600635775 1017707969 /nfs/dbraw/zinc/70/79/69/1017707969.db2.gz WYHDXZSZGUAFLH-WDEREUQCSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1conc1C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600643054 1017708529 /nfs/dbraw/zinc/70/85/29/1017708529.db2.gz AZEMTTDKBPNAQT-UWVGGRQHSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1csc(C(=O)[O-])c1NC(=O)C(=O)NCC(=O)N(C)C ZINC001600646905 1017708640 /nfs/dbraw/zinc/70/86/40/1017708640.db2.gz CETHFJMSVJJGKN-UHFFFAOYSA-N -1 0 313.335 -0.102 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NCCCNS(C)(=O)=O ZINC001600643053 1017708959 /nfs/dbraw/zinc/70/89/59/1017708959.db2.gz HPENIWNYVRPIHQ-UHFFFAOYSA-N -1 0 318.351 -0.116 20 0 DBADRM Cc1conc1CNC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001600644839 1017709320 /nfs/dbraw/zinc/70/93/20/1017709320.db2.gz DSMUIHVUXPRXEZ-JTQLQIEISA-N -1 0 310.310 -0.142 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@@H]1CN2CCN1CC2 ZINC001600643197 1017709618 /nfs/dbraw/zinc/70/96/18/1017709618.db2.gz KUIAHAFDFPXNDA-LLVKDONJSA-N -1 0 307.350 -0.055 20 0 DBADRM Cc1cocc1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600643304 1017709926 /nfs/dbraw/zinc/70/99/26/1017709926.db2.gz CUKUTGDXJOVSBY-MNOVXSKESA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1cnn(CCC(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001600636471 1017710148 /nfs/dbraw/zinc/71/01/48/1017710148.db2.gz FEGJOPNSFQYQPF-RYUDHWBXSA-N -1 0 320.349 -0.371 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)[C@H]2CCN(C)C2=O)c1C(=O)[O-] ZINC001600669890 1017710491 /nfs/dbraw/zinc/71/04/91/1017710491.db2.gz BLVMLIGGKSUMRZ-ZETCQYMHSA-N -1 0 316.339 -0.732 20 0 DBADRM Cc1csc(Cn2nnnc2N2CCO[C@H](C(=O)[O-])C2)n1 ZINC001600660237 1017711232 /nfs/dbraw/zinc/71/12/32/1017711232.db2.gz NGIDVFXSAWIPMD-QMMMGPOBSA-N -1 0 310.339 -0.224 20 0 DBADRM Cc1nnc(CC(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)[nH]1 ZINC001600671322 1017711549 /nfs/dbraw/zinc/71/15/49/1017711549.db2.gz IWHIPKXSPZFLLY-UHFFFAOYSA-N -1 0 307.310 -0.122 20 0 DBADRM Cc1n[nH]c(C)c1[C@@H]1COCCN1CC(=O)NCCC(=O)[O-] ZINC001600668940 1017711738 /nfs/dbraw/zinc/71/17/38/1017711738.db2.gz WWYJLPGZLWVWGK-NSHDSACASA-N -1 0 310.354 -0.009 20 0 DBADRM Cc1nnc(CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)[nH]1 ZINC001600670913 1017712098 /nfs/dbraw/zinc/71/20/98/1017712098.db2.gz BZLKVXQJUQBCEV-RKDXNWHRSA-N -1 0 321.337 -0.859 20 0 DBADRM Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001600667899 1017712373 /nfs/dbraw/zinc/71/23/73/1017712373.db2.gz JIYIHOZVKBUYEL-UFBFGSQYSA-N -1 0 322.365 -0.041 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)c1C(=O)[O-] ZINC001600672266 1017712842 /nfs/dbraw/zinc/71/28/42/1017712842.db2.gz BIUMRPUVKQXKKU-ZETCQYMHSA-N -1 0 316.339 -0.685 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CO[C@H]1CCOC1 ZINC001498282670 1017713169 /nfs/dbraw/zinc/71/31/69/1017713169.db2.gz VFZYHBWJNYIDBZ-ZJUUUORDSA-N -1 0 313.358 -0.748 20 0 DBADRM Cc1nnc(CN(CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C2CC2)[nH]1 ZINC001600671388 1017713090 /nfs/dbraw/zinc/71/30/90/1017713090.db2.gz KTQQDKZQCBGVAS-MNOVXSKESA-N -1 0 307.354 -0.086 20 0 DBADRM Cc1nnc(CC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)[nH]1 ZINC001600671710 1017713739 /nfs/dbraw/zinc/71/37/39/1017713739.db2.gz WCOMAOOXQBFJBD-CQSZACIVSA-N -1 0 323.353 -0.956 20 0 DBADRM Cc1nc(SCC(=O)N[C@@H](CC2OCCO2)C(=O)[O-])n[nH]1 ZINC001600674635 1017713890 /nfs/dbraw/zinc/71/38/90/1017713890.db2.gz HYGDWLLYWACRAK-ZETCQYMHSA-N -1 0 316.339 -0.462 20 0 DBADRM Cc1nnc(CN2CCCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)[nH]1 ZINC001600671545 1017714127 /nfs/dbraw/zinc/71/41/27/1017714127.db2.gz MSGAHGAQFKWQGN-WDEREUQCSA-N -1 0 307.354 -0.132 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@@H](O)[C@H]2CCCO2)c1C(=O)[O-] ZINC001600673408 1017714495 /nfs/dbraw/zinc/71/44/95/1017714495.db2.gz PWXHLFRIAXRKOD-HTQZYQBOSA-N -1 0 319.339 -0.765 20 0 DBADRM Cc1n[nH]cc1NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001600674486 1017714869 /nfs/dbraw/zinc/71/48/69/1017714869.db2.gz JDCDBWNMNMFFQR-UHFFFAOYSA-N -1 0 306.282 -0.115 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H]2CCNC(=O)CC2)c1C(=O)[O-] ZINC001600672941 1017714984 /nfs/dbraw/zinc/71/49/84/1017714984.db2.gz LRMOHMPYMSYCNJ-SSDOTTSWSA-N -1 0 316.339 -0.637 20 0 DBADRM Cc1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@@H]2C(=O)[O-])[nH]1 ZINC001600671691 1017715153 /nfs/dbraw/zinc/71/51/53/1017715153.db2.gz VBRGHUVULHJGRX-OFKSJOQMSA-N -1 0 305.338 -0.620 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCCn2cccn2)c1C(=O)[O-] ZINC001600673287 1017715284 /nfs/dbraw/zinc/71/52/84/1017715284.db2.gz DYWTXYQMHKKNGE-UHFFFAOYSA-N -1 0 313.339 -0.019 20 0 DBADRM Cc1nnc(CC(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)[nH]1 ZINC001600671711 1017715367 /nfs/dbraw/zinc/71/53/67/1017715367.db2.gz WICLFUUUYDQWNX-UHFFFAOYSA-N -1 0 319.325 -0.191 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600675751 1017716589 /nfs/dbraw/zinc/71/65/89/1017716589.db2.gz OZSWLPUFVVPBSD-QMMMGPOBSA-N -1 0 305.298 -0.120 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600675940 1017716624 /nfs/dbraw/zinc/71/66/24/1017716624.db2.gz XZLAKFWPIYKZOM-UWVGGRQHSA-N -1 0 321.337 -0.445 20 0 DBADRM Cc1nc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])c[nH]1 ZINC001600683264 1017716846 /nfs/dbraw/zinc/71/68/46/1017716846.db2.gz MFCQFCZVUVWXNQ-NXEZZACHSA-N -1 0 308.338 -0.031 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001600675800 1017716941 /nfs/dbraw/zinc/71/69/41/1017716941.db2.gz QJVFNNQVGMYHAP-ZETCQYMHSA-N -1 0 319.325 -0.499 20 0 DBADRM Cc1nc(C(=O)[O-])cn1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001600685478 1017717022 /nfs/dbraw/zinc/71/70/22/1017717022.db2.gz MZWXYPWRVOEZHF-MRVPVSSYSA-N -1 0 301.324 -0.807 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001600675938 1017717118 /nfs/dbraw/zinc/71/71/18/1017717118.db2.gz XYCITDJBBSSEOX-ZKCHVHJHSA-N -1 0 317.309 -0.604 20 0 DBADRM Cc1nc(C)c(CC(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c(=O)[nH]1 ZINC001600691125 1017717462 /nfs/dbraw/zinc/71/74/62/1017717462.db2.gz QKBGJHGTAYDDPV-CMPLNLGQSA-N -1 0 309.322 -0.222 20 0 DBADRM Cc1nc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001600682252 1017717524 /nfs/dbraw/zinc/71/75/24/1017717524.db2.gz HGJOJKKHGQNAHZ-GFCCVEGCSA-N -1 0 305.298 -0.369 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H](C)CN(C)c1ncc(C(=O)[O-])cn1 ZINC001600675627 1017717570 /nfs/dbraw/zinc/71/75/70/1017717570.db2.gz JYHJCTBWSAGGHA-ZETCQYMHSA-N -1 0 319.325 -0.144 20 0 DBADRM Cc1nc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c(C)o1 ZINC001600683897 1017717707 /nfs/dbraw/zinc/71/77/07/1017717707.db2.gz LKHKEAKRUJYZHQ-UWVGGRQHSA-N -1 0 307.306 -0.047 20 0 DBADRM Cc1nc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)co1 ZINC001600682045 1017717738 /nfs/dbraw/zinc/71/77/38/1017717738.db2.gz DPXIHIKWUOSPGH-CQSZACIVSA-N -1 0 309.322 -0.015 20 0 DBADRM Cc1nc(C)n(C2CN(C(=O)Cn3cc(C(=O)[O-])nn3)C2)n1 ZINC001600692751 1017718588 /nfs/dbraw/zinc/71/85/88/1017718588.db2.gz QVMBXHXJQDBAJO-UHFFFAOYSA-N -1 0 305.298 -0.732 20 0 DBADRM Cc1nc(C)c(CC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c(=O)[nH]1 ZINC001600691131 1017719045 /nfs/dbraw/zinc/71/90/45/1017719045.db2.gz QKBGJHGTAYDDPV-ZYHUDNBSSA-N -1 0 309.322 -0.222 20 0 DBADRM Cc1nc(CN2CC(CCO)(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)co1 ZINC001600700338 1017719485 /nfs/dbraw/zinc/71/94/85/1017719485.db2.gz KLTAKZMTYOULQW-NWDGAFQWSA-N -1 0 323.349 -0.243 20 0 DBADRM Cc1nc([C@@H]2COCCN2CCC(=O)N(C)CC(=O)[O-])no1 ZINC001600694058 1017719730 /nfs/dbraw/zinc/71/97/30/1017719730.db2.gz DCHWZPWKUITLPL-JTQLQIEISA-N -1 0 312.326 -0.316 20 0 DBADRM Cc1nc2n(n1)CCN(S(=O)(=O)C1(C(=O)[O-])CCC1)C2 ZINC001600731679 1017720639 /nfs/dbraw/zinc/72/06/39/1017720639.db2.gz DJCCNYPIIBUYRK-UHFFFAOYSA-N -1 0 300.340 -0.261 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])CC2 ZINC001600731411 1017721275 /nfs/dbraw/zinc/72/12/75/1017721275.db2.gz MICLCXHZQHICIW-JFGNBEQYSA-N -1 0 323.353 -0.310 20 0 DBADRM Cc1ncc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1C ZINC001600733074 1017721359 /nfs/dbraw/zinc/72/13/59/1017721359.db2.gz HUDJMMHSBYSUSI-ZJUUUORDSA-N -1 0 308.338 -0.363 20 0 DBADRM Cc1ncc(S(=O)(=O)NC[C@@H]2CNC(=O)C2)cc1C(=O)[O-] ZINC001600745953 1017722309 /nfs/dbraw/zinc/72/23/09/1017722309.db2.gz NORWWNGXVGLSQB-QMMMGPOBSA-N -1 0 313.335 -0.497 20 0 DBADRM Cc1nccc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600749046 1017722756 /nfs/dbraw/zinc/72/27/56/1017722756.db2.gz HPXQHFYSXXOENA-GHMZBOCLSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H](C(N)=O)C(C)C)cc1C(=O)[O-] ZINC001600746729 1017723412 /nfs/dbraw/zinc/72/34/12/1017723412.db2.gz HIVDTHFKNRICCT-SNVBAGLBSA-N -1 0 315.351 -0.124 20 0 DBADRM Cc1ncc(CC(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001600736457 1017723434 /nfs/dbraw/zinc/72/34/34/1017723434.db2.gz PGKXSVHUQBTYNQ-VXGBXAGGSA-N -1 0 321.333 -0.085 20 0 DBADRM Cc1nccc(C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001600749175 1017723657 /nfs/dbraw/zinc/72/36/57/1017723657.db2.gz VVSCOPURYSQMFN-ZJUUUORDSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1ncccc1CN1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600752975 1017724786 /nfs/dbraw/zinc/72/47/86/1017724786.db2.gz VHUYUYXMDPAXFB-STQMWFEESA-N -1 0 319.361 -0.226 20 0 DBADRM Cc1ncncc1C(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001600757868 1017724949 /nfs/dbraw/zinc/72/49/49/1017724949.db2.gz CIJMKBUIZMUMBD-MRVPVSSYSA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1nccn1CCc1nnc(N2CCO[C@H](C(=O)[O-])C2)n1C ZINC001600756561 1017725228 /nfs/dbraw/zinc/72/52/28/1017725228.db2.gz IBCGGOUQVIOVON-NSHDSACASA-N -1 0 320.353 -0.147 20 0 DBADRM Cc1ncn(C)c1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001600758574 1017725388 /nfs/dbraw/zinc/72/53/88/1017725388.db2.gz PUFYFFUYXMWHSQ-UHFFFAOYSA-N -1 0 304.310 -0.519 20 0 DBADRM Cc1nccnc1CCNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001600755482 1017725402 /nfs/dbraw/zinc/72/54/02/1017725402.db2.gz CWBSZRCHTHGLLF-UHFFFAOYSA-N -1 0 323.353 -0.392 20 0 DBADRM Cc1nccnc1CN1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001600756856 1017725787 /nfs/dbraw/zinc/72/57/87/1017725787.db2.gz FXDCKWVWCWTYEP-ONGXEEELSA-N -1 0 319.321 -0.636 20 0 DBADRM Cc1nn(C)c(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c1C ZINC001600772156 1017726648 /nfs/dbraw/zinc/72/66/48/1017726648.db2.gz AMKCPNKTVYGHEZ-UWVGGRQHSA-N -1 0 324.337 -0.588 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001600770644 1017726870 /nfs/dbraw/zinc/72/68/70/1017726870.db2.gz JUXCJKYJFLUEAS-ZJUUUORDSA-N -1 0 317.367 -0.364 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCSC[C@H]1C(=O)[O-] ZINC001600777779 1017728262 /nfs/dbraw/zinc/72/82/62/1017728262.db2.gz PPZFYCMPQLSEFR-QMMMGPOBSA-N -1 0 305.381 -0.081 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@]2(C(=O)[O-])CCOC2)C1 ZINC001600777560 1017728743 /nfs/dbraw/zinc/72/87/43/1017728743.db2.gz JNXCDCNWBGWISS-SMDDNHRTSA-N -1 0 322.321 -0.419 20 0 DBADRM Cc1nn(C)c(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1C ZINC001600773028 1017729425 /nfs/dbraw/zinc/72/94/25/1017729425.db2.gz FLCXBTLDAWERFG-MYJAWHEDSA-N -1 0 306.322 -0.236 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001600777904 1017729437 /nfs/dbraw/zinc/72/94/37/1017729437.db2.gz SADHZZUHFAQLKC-UHFFFAOYSA-N -1 0 303.340 -0.671 20 0 DBADRM Cc1nn(CC2CC2)c(C)c1CC(=O)NCC(=O)NCC(=O)[O-] ZINC001600783279 1017729951 /nfs/dbraw/zinc/72/99/51/1017729951.db2.gz IXMKUVDJTIGBFL-UHFFFAOYSA-N -1 0 322.365 -0.231 20 0 DBADRM Cc1nn(CCS(=O)(=O)N[C@@H](C)/C=C/C(=O)[O-])c(=O)o1 ZINC001600788243 1017729993 /nfs/dbraw/zinc/72/99/93/1017729993.db2.gz VCPDHSGEGOUTET-SDLBARTOSA-N -1 0 305.312 -0.907 20 0 DBADRM Cc1nn2cccnc2c1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001600791038 1017730650 /nfs/dbraw/zinc/73/06/50/1017730650.db2.gz UAKMJCXUJLQDHG-UHFFFAOYSA-N -1 0 319.321 -0.251 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)[nH]1 ZINC001600791957 1017730714 /nfs/dbraw/zinc/73/07/14/1017730714.db2.gz IHSYLAOSLXFDAB-APPZFPTMSA-N -1 0 309.326 -0.386 20 0 DBADRM Cc1nn(CC(=O)Nc2cccc(C(=O)[O-])c2O)c(=O)n1C ZINC001600779585 1017730777 /nfs/dbraw/zinc/73/07/77/1017730777.db2.gz IRTKZRDTLZAYPW-UHFFFAOYSA-N -1 0 306.278 -0.067 20 0 DBADRM Cc1nn(CC(=O)Nc2nc(CC(=O)[O-])cs2)c(=O)n1C ZINC001600779399 1017731110 /nfs/dbraw/zinc/73/11/10/1017731110.db2.gz DHFXRWKDEHUWQE-UHFFFAOYSA-N -1 0 311.323 -0.387 20 0 DBADRM Cc1nnc(COCC(=O)NC2(C(=O)[O-])CC(CO)C2)s1 ZINC001600796581 1017731762 /nfs/dbraw/zinc/73/17/62/1017731762.db2.gz PATFJARWSJXTDD-UHFFFAOYSA-N -1 0 315.351 -0.295 20 0 DBADRM Cc1nnccc1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600799603 1017731947 /nfs/dbraw/zinc/73/19/47/1017731947.db2.gz AUVKXOFABFXLMK-WDEREUQCSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)s1 ZINC001600796418 1017732126 /nfs/dbraw/zinc/73/21/26/1017732126.db2.gz YEXGLJMNAGGHLP-XPUUQOCRSA-N -1 0 312.351 -0.216 20 0 DBADRM Cc1nnc(N2C[C@@H](CC(=O)[O-])[C@H](O)C2)n1CCc1cn[nH]c1 ZINC001600797397 1017732182 /nfs/dbraw/zinc/73/21/82/1017732182.db2.gz GZCSAYMNYNEEMZ-VXGBXAGGSA-N -1 0 320.353 -0.176 20 0 DBADRM Cc1nnc(CC(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])o1 ZINC001600794367 1017732226 /nfs/dbraw/zinc/73/22/26/1017732226.db2.gz MNBYWMPMULHEOA-HLKOZVMDSA-N -1 0 322.321 -0.570 20 0 DBADRM CC1N=NC(=S)N1CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001600799481 1017732451 /nfs/dbraw/zinc/73/24/51/1017732451.db2.gz VDHVLRXTBLBWKN-SFYZADRCSA-N -1 0 300.340 -0.376 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccnn1C)CC2 ZINC001600799970 1017732763 /nfs/dbraw/zinc/73/27/63/1017732763.db2.gz IQSREDIBBPBVQQ-JOYOIKCWSA-N -1 0 318.337 -0.175 20 0 DBADRM Cc1noc(C)c1NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001600810304 1017733558 /nfs/dbraw/zinc/73/35/58/1017733558.db2.gz JGJPFFKWRYUSQQ-DTWKUNHWSA-N -1 0 311.294 -0.476 20 0 DBADRM Cc1noc(C)c1CC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600808725 1017733845 /nfs/dbraw/zinc/73/38/45/1017733845.db2.gz YCIDZOUUUMJXIE-NWDGAFQWSA-N -1 0 321.333 -0.118 20 0 DBADRM Cc1noc(-c2ccccc2C(=O)NCC(=O)NCC(=O)[O-])n1 ZINC001600804999 1017733910 /nfs/dbraw/zinc/73/39/10/1017733910.db2.gz KBFWXQORYRLXEV-UHFFFAOYSA-N -1 0 318.289 -0.024 20 0 DBADRM Cc1nnccc1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001600802035 1017734068 /nfs/dbraw/zinc/73/40/68/1017734068.db2.gz HZLYQCLKSVRQCA-BDAKNGLRSA-N -1 0 308.294 -0.982 20 0 DBADRM Cc1nnccc1C(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600800153 1017734159 /nfs/dbraw/zinc/73/41/59/1017734159.db2.gz OTODRKUFBQCGSR-MNOVXSKESA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1nnsc1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600802589 1017734531 /nfs/dbraw/zinc/73/45/31/1017734531.db2.gz JEDQKVYBLVFSME-IUCAKERBSA-N -1 0 324.362 -0.150 20 0 DBADRM Cc1noc(C)c1NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001600810349 1017734591 /nfs/dbraw/zinc/73/45/91/1017734591.db2.gz LCXDQLIBUCUNBV-RCOVLWMOSA-N -1 0 311.294 -0.070 20 0 DBADRM Cc1nonc1CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001600817918 1017735524 /nfs/dbraw/zinc/73/55/24/1017735524.db2.gz SBLKDVNDHUKUIW-QMMMGPOBSA-N -1 0 317.323 -0.979 20 0 DBADRM Cc1nonc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600818149 1017735898 /nfs/dbraw/zinc/73/58/98/1017735898.db2.gz XWCHBNUOJRLGML-RKDXNWHRSA-N -1 0 308.294 -0.618 20 0 DBADRM Cc1noc(COc2ccc(C(=O)N[C@@H](CO)C(=O)[O-])cn2)n1 ZINC001600815026 1017735928 /nfs/dbraw/zinc/73/59/28/1017735928.db2.gz RXMZEFIUODJDDL-VIFPVBQESA-N -1 0 322.277 -0.473 20 0 DBADRM Cc1nocc1S(=O)(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001600818918 1017736148 /nfs/dbraw/zinc/73/61/48/1017736148.db2.gz ZHTVGPHLYIDMTF-SECBINFHSA-N -1 0 303.340 -0.380 20 0 DBADRM Cc1nonc1CC(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600817321 1017736227 /nfs/dbraw/zinc/73/62/27/1017736227.db2.gz AIODIBVFAASFEW-VHSXEESVSA-N -1 0 322.321 -0.784 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001600824931 1017736893 /nfs/dbraw/zinc/73/68/93/1017736893.db2.gz BTYOCBBKYSTMKC-QMMMGPOBSA-N -1 0 307.262 -0.338 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001600835948 1017737294 /nfs/dbraw/zinc/73/72/94/1017737294.db2.gz STSYNTXFHLPWHF-MTBHXBHISA-N -1 0 314.319 -0.362 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCc1nnnn1C ZINC001600836680 1017737583 /nfs/dbraw/zinc/73/75/83/1017737583.db2.gz DGPRNGCYCCUDCG-UHFFFAOYSA-N -1 0 315.311 -0.669 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001600824930 1017738024 /nfs/dbraw/zinc/73/80/24/1017738024.db2.gz BTYOCBBKYSTMKC-MRVPVSSYSA-N -1 0 307.262 -0.338 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)NC[C@@]3(C(=O)[O-])CCOC3)ccnc1-2 ZINC001600892584 1017738545 /nfs/dbraw/zinc/73/85/45/1017738545.db2.gz ZVHYBESJEJAMMS-AWEZNQCLSA-N -1 0 319.321 -0.045 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001600864756 1017738689 /nfs/dbraw/zinc/73/86/89/1017738689.db2.gz WIJABMVXOCQXMJ-QMMMGPOBSA-N -1 0 318.355 -0.798 20 0 DBADRM Cc1sc(S(N)(=O)=O)cc1C(=O)NC[C@H](O)CC(=O)[O-] ZINC001600889807 1017738776 /nfs/dbraw/zinc/73/87/76/1017738776.db2.gz WDOAIPREQKVZRI-ZCFIWIBFSA-N -1 0 322.364 -0.731 20 0 DBADRM Cc1oc(S(=O)(=O)N2CC[C@H](O)[C@H](CO)C2)cc1C(=O)[O-] ZINC001600858092 1017738907 /nfs/dbraw/zinc/73/89/07/1017738907.db2.gz UTZCYLGZZKXRRF-WPRPVWTQSA-N -1 0 319.335 -0.350 20 0 DBADRM Cc1sc(=O)n(CCC(=O)NC[C@@H](O)CC(=O)[O-])c1C ZINC001600865328 1017739314 /nfs/dbraw/zinc/73/93/14/1017739314.db2.gz ZCHVOSPEHORYMO-VIFPVBQESA-N -1 0 302.352 -0.131 20 0 DBADRM Cc1ocnc1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600861471 1017739240 /nfs/dbraw/zinc/73/92/40/1017739240.db2.gz JZYATEMZRQISHS-BDAKNGLRSA-N -1 0 323.305 -0.993 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001600864418 1017739664 /nfs/dbraw/zinc/73/96/64/1017739664.db2.gz MXOJHVUDDWRMPI-QMMMGPOBSA-N -1 0 319.339 -0.589 20 0 DBADRM Cc1sc(=O)n(CC(=O)N[C@H](Cn2ccnc2)C(=O)[O-])c1C ZINC001600866173 1017739839 /nfs/dbraw/zinc/73/98/39/1017739839.db2.gz HNQDJLHQEGRGQP-SNVBAGLBSA-N -1 0 324.362 -0.007 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CC(C2CS(=O)(=O)C2)C1 ZINC001600902273 1017741181 /nfs/dbraw/zinc/74/11/81/1017741181.db2.gz HBUHLFQYXXXXJJ-UHFFFAOYSA-N -1 0 312.347 -0.160 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC001600901999 1017741968 /nfs/dbraw/zinc/74/19/68/1017741968.db2.gz CWVLBVXQSOXBOF-QMMMGPOBSA-N -1 0 300.336 -0.018 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NC(C)(C)c2nocc2C(=O)[O-])c1=O ZINC001600896486 1017742023 /nfs/dbraw/zinc/74/20/23/1017742023.db2.gz YYWGZGOKPMMOOM-UHFFFAOYSA-N -1 0 322.277 -0.163 20 0 DBADRM Cn1c([C@H]2CCNC(=O)C2)nnc1N1CCO[C@H](CC(=O)[O-])C1 ZINC001600909502 1017742389 /nfs/dbraw/zinc/74/23/89/1017742389.db2.gz BWLQOGSQQLBUEJ-VHSXEESVSA-N -1 0 323.353 -0.511 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N[C@@H]1CCCN(CC(N)=O)C1 ZINC001600905144 1017742665 /nfs/dbraw/zinc/74/26/65/1017742665.db2.gz XDRMTVRMOLGKMF-SECBINFHSA-N -1 0 308.338 -0.597 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NCCCNS(C)(=O)=O ZINC001600903943 1017742709 /nfs/dbraw/zinc/74/27/09/1017742709.db2.gz MQYWKLZGUJWXCU-UHFFFAOYSA-N -1 0 303.340 -0.608 20 0 DBADRM Cn1c(CO)nnc1S[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001600918334 1017743611 /nfs/dbraw/zinc/74/36/11/1017743611.db2.gz FJCRISGASJKZFU-SSDOTTSWSA-N -1 0 300.340 -0.525 20 0 DBADRM Cn1c([C@@H]2[C@@H]3CCCO[C@@H]32)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001600908312 1017743839 /nfs/dbraw/zinc/74/38/39/1017743839.db2.gz PDCTTZJFKAJRGP-MMWGEVLESA-N -1 0 308.338 -0.003 20 0 DBADRM Cn1cc(-n2cc(C(=O)N[C@](C)(CO)C(=O)[O-])ccc2=O)cn1 ZINC001600926946 1017745364 /nfs/dbraw/zinc/74/53/64/1017745364.db2.gz VQQXBYRPOXTZGV-CQSZACIVSA-N -1 0 320.305 -0.864 20 0 DBADRM Cn1cc(C(=O)CCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cn1 ZINC001600928026 1017745910 /nfs/dbraw/zinc/74/59/10/1017745910.db2.gz PQZKPWKUAPXXNT-NSHDSACASA-N -1 0 319.321 -0.082 20 0 DBADRM Cn1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]c1=O ZINC001600928937 1017746896 /nfs/dbraw/zinc/74/68/96/1017746896.db2.gz KNWKCNJOYCZDBX-BDAKNGLRSA-N -1 0 322.321 -0.965 20 0 DBADRM Cn1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]c1=O ZINC001600929722 1017747114 /nfs/dbraw/zinc/74/71/14/1017747114.db2.gz CQBIZVPJGBXIQI-BDAKNGLRSA-N -1 0 322.321 -0.965 20 0 DBADRM Cn1cc(C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)c(=O)[nH]c1=O ZINC001600930761 1017747373 /nfs/dbraw/zinc/74/73/73/1017747373.db2.gz AUDLAMYDEOIQHJ-CYBMUJFWSA-N -1 0 311.294 -0.760 20 0 DBADRM Cn1cc(C(=O)NCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C2CC2)nn1 ZINC001600930951 1017747519 /nfs/dbraw/zinc/74/75/19/1017747519.db2.gz WOSDFQLKBSEEFI-UWVGGRQHSA-N -1 0 321.337 -0.743 20 0 DBADRM Cn1cc(C(=O)N2CCN(c3ccnc(C(=O)[O-])n3)CC2)nn1 ZINC001600928478 1017747684 /nfs/dbraw/zinc/74/76/84/1017747684.db2.gz IHIURJASNVDXSW-UHFFFAOYSA-N -1 0 317.309 -0.734 20 0 DBADRM Cn1cc(C(=O)N2CC(O)(C(=O)[O-])C2)c(Br)n1 ZINC001600928936 1017747765 /nfs/dbraw/zinc/74/77/65/1017747765.db2.gz KNKGITVTZSPBFV-UHFFFAOYSA-N -1 0 304.100 -0.546 20 0 DBADRM Cn1cc(C(=O)NCc2ccc(C(=O)[O-])nc2)c(=O)[nH]c1=O ZINC001600930487 1017748223 /nfs/dbraw/zinc/74/82/23/1017748223.db2.gz FFCYONUNTVXVGY-UHFFFAOYSA-N -1 0 304.262 -0.491 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)CCC[C@]2(C)NC(=O)NC2=O)n1 ZINC001600934052 1017748858 /nfs/dbraw/zinc/74/88/58/1017748858.db2.gz XHNULPGRNPPRHQ-ZDUSSCGKSA-N -1 0 323.309 -0.175 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)n(C)c1=O ZINC001600931585 1017748871 /nfs/dbraw/zinc/74/88/71/1017748871.db2.gz ZXLKZSHHOQLJLR-MRVPVSSYSA-N -1 0 319.321 -0.117 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@H](CCF)C(=O)[O-])c(=O)n(C)c1=O ZINC001600945924 1017749429 /nfs/dbraw/zinc/74/94/29/1017749429.db2.gz NNVMHMUZQRIMCG-CDAZIORVSA-N -1 0 313.285 -0.974 20 0 DBADRM Cn1cc(C[C@H](CO)NC(=O)c2cc(C(=O)[O-])ccn2)cn1 ZINC001600945613 1017749489 /nfs/dbraw/zinc/74/94/89/1017749489.db2.gz AHNDSCAWJXQAHR-LLVKDONJSA-N -1 0 304.306 -0.153 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N[C@@H](Cc2ccccc2O)C(=O)[O-])cn1 ZINC001600942229 1017749934 /nfs/dbraw/zinc/74/99/34/1017749934.db2.gz CJXKBTYGWXCBJB-WCQYABFASA-N -1 0 319.317 -0.029 20 0 DBADRM Cn1cc(C[C@@H](CO)CNC(=O)Cn2cc(C(=O)[O-])cn2)cn1 ZINC001600946500 1017750282 /nfs/dbraw/zinc/75/02/82/1017750282.db2.gz GTWTXTLREKNDOB-LLVKDONJSA-N -1 0 321.337 -0.718 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001600941503 1017750379 /nfs/dbraw/zinc/75/03/79/1017750379.db2.gz UHCXMRTWYSJSPO-VHSXEESVSA-N -1 0 318.351 -0.913 20 0 DBADRM Cn1cc([C@H](O)CNS(=O)(=O)CC(C)(C)C(=O)[O-])cn1 ZINC001600942527 1017750499 /nfs/dbraw/zinc/75/04/99/1017750499.db2.gz JGLHZDRACJSIPV-SECBINFHSA-N -1 0 305.356 -0.516 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CCn2cnnc2C1 ZINC001600940495 1017750634 /nfs/dbraw/zinc/75/06/34/1017750634.db2.gz SNQGTRBKVDGSCT-UHFFFAOYSA-N -1 0 311.323 -0.481 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N[C@@]1(C)CCOC1=O ZINC001600940399 1017750702 /nfs/dbraw/zinc/75/07/02/1017750702.db2.gz RKYRGAWPKOMGLM-NSHDSACASA-N -1 0 302.308 -0.293 20 0 DBADRM Cn1cc(/C=C/C(=O)NC2CC(CC(=O)[O-])C2)c(=O)n(C)c1=O ZINC001600945785 1017751019 /nfs/dbraw/zinc/75/10/19/1017751019.db2.gz LXEBKKPOKCYEPI-ONEGZZNKSA-N -1 0 321.333 -0.533 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])cn1 ZINC001600942228 1017751098 /nfs/dbraw/zinc/75/10/98/1017751098.db2.gz CJXKBTYGWXCBJB-DGCLKSJQSA-N -1 0 319.317 -0.029 20 0 DBADRM Cn1cc(CCNC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cn1 ZINC001600950624 1017751891 /nfs/dbraw/zinc/75/18/91/1017751891.db2.gz HVUQJGFHBJOYGN-GFCCVEGCSA-N -1 0 310.354 -0.170 20 0 DBADRM Cn1cc(C[C@@H](CO)CNS(=O)(=O)CCCC(=O)[O-])cn1 ZINC001600947606 1017752189 /nfs/dbraw/zinc/75/21/89/1017752189.db2.gz MZUSYBTZVJUXAF-LLVKDONJSA-N -1 0 319.383 -0.645 20 0 DBADRM Cn1cc(C[C@@H](CO)CNC(=O)C23CC(C(=O)[O-])(C2)C3)cn1 ZINC001600947700 1017753597 /nfs/dbraw/zinc/75/35/97/1017753597.db2.gz NKFLCEPRECMNDL-VCANKDNSSA-N -1 0 307.350 -0.058 20 0 DBADRM Cn1cc(CNC(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)nn1 ZINC001600953420 1017754356 /nfs/dbraw/zinc/75/43/56/1017754356.db2.gz FEFGCOJEDDRHFR-UHFFFAOYSA-N -1 0 306.282 -0.893 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1=O ZINC001600958830 1017754390 /nfs/dbraw/zinc/75/43/90/1017754390.db2.gz LELRXMGIFUXOOO-VIFPVBQESA-N -1 0 307.306 -0.353 20 0 DBADRM Cn1cc(CNC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)nn1 ZINC001600953332 1017754562 /nfs/dbraw/zinc/75/45/62/1017754562.db2.gz BMPAUEKJEXFWPT-VIFPVBQESA-N -1 0 320.313 -0.739 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@H]2CCCCNC2=O)cc1C(=O)[O-] ZINC001600959480 1017754689 /nfs/dbraw/zinc/75/46/89/1017754689.db2.gz RLPOZIZDUIBVIM-VIFPVBQESA-N -1 0 322.321 -0.553 20 0 DBADRM Cn1cc(CNC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001600953831 1017754733 /nfs/dbraw/zinc/75/47/33/1017754733.db2.gz PTOFEJVUBNYQJB-SECBINFHSA-N -1 0 308.294 -0.542 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCC(=O)NC2CC2)cc1C(=O)[O-] ZINC001600959167 1017755561 /nfs/dbraw/zinc/75/55/61/1017755561.db2.gz OWOXFYVMTHSEGW-UHFFFAOYSA-N -1 0 308.294 -0.943 20 0 DBADRM Cn1cc(NC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)ccc1=O ZINC001600963338 1017756992 /nfs/dbraw/zinc/75/69/92/1017756992.db2.gz PCHLPCADNHPGIE-UHFFFAOYSA-N -1 0 318.293 -0.236 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])CC2=O)cn1 ZINC001600962521 1017758211 /nfs/dbraw/zinc/75/82/11/1017758211.db2.gz XMMSSQCREGDSFP-UBHAPETDSA-N -1 0 322.321 -0.869 20 0 DBADRM Cn1cc(S(=O)(=O)NCC[C@H]2CNC(=O)C2)cc1C(=O)[O-] ZINC001600969182 1017759197 /nfs/dbraw/zinc/75/91/97/1017759197.db2.gz ZHJLIJLOTUNAFG-MRVPVSSYSA-N -1 0 315.351 -0.472 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2C[C@H](C(N)=O)C2)cc1C(=O)[O-] ZINC001600968275 1017759814 /nfs/dbraw/zinc/75/98/14/1017759814.db2.gz MNXYHFHOPICYCH-LJGSYFOKSA-N -1 0 301.324 -0.735 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])cn1 ZINC001600968531 1017759865 /nfs/dbraw/zinc/75/98/65/1017759865.db2.gz ZSABCIWLCATNNH-PSASIEDQSA-N -1 0 303.340 -0.279 20 0 DBADRM Cn1ccc(C(=O)NCCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1=O ZINC001600972580 1017760851 /nfs/dbraw/zinc/76/08/51/1017760851.db2.gz KQKMPBXVXKOATC-QWRGUYRKSA-N -1 0 321.333 -0.658 20 0 DBADRM Cn1ccc(-c2cn([C@H]3CCN(CCC(=O)[O-])C3=O)nn2)n1 ZINC001600971756 1017761716 /nfs/dbraw/zinc/76/17/16/1017761716.db2.gz CUHDPPRCKVWJPR-NSHDSACASA-N -1 0 304.310 -0.073 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCNC[C@H]2C(F)F)cc1C(=O)[O-] ZINC001600968077 1017761769 /nfs/dbraw/zinc/76/17/69/1017761769.db2.gz ZMTGUMSEQCDNPZ-VIFPVBQESA-N -1 0 323.321 -0.049 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(C2CCCC2)n1 ZINC001600968274 1017761891 /nfs/dbraw/zinc/76/18/91/1017761891.db2.gz TYBBAYWYFLJNNU-VIFPVBQESA-N -1 0 317.367 -0.199 20 0 DBADRM Cn1ccc(NC(=O)NCCC(=O)NCCC(=O)[O-])cc1=O ZINC001600974812 1017763284 /nfs/dbraw/zinc/76/32/84/1017763284.db2.gz GQPSQCUMDZVLSH-UHFFFAOYSA-N -1 0 310.310 -0.512 20 0 DBADRM Cn1ccc(CCNS(=O)(=O)c2cc(C(=O)[O-])cn2C)n1 ZINC001600976499 1017763308 /nfs/dbraw/zinc/76/33/08/1017763308.db2.gz RMYDDZMSIHXOOC-UHFFFAOYSA-N -1 0 312.351 -0.022 20 0 DBADRM Cn1ccc([C@H](NS(=O)(=O)CC2CCOCC2)C(=O)[O-])n1 ZINC001600974419 1017763843 /nfs/dbraw/zinc/76/38/43/1017763843.db2.gz DYMYYSGAQYDGNH-NSHDSACASA-N -1 0 317.367 -0.108 20 0 DBADRM Cn1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4C(=O)[O-])C[C@H]32)c1 ZINC001600972761 1017764935 /nfs/dbraw/zinc/76/49/35/1017764935.db2.gz WAVKVIMNJNNNOA-KVSVUVNWSA-N -1 0 317.345 -0.068 20 0 DBADRM Cn1cccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001600978927 1017765539 /nfs/dbraw/zinc/76/55/39/1017765539.db2.gz XXZKURNSVYZSER-HKLXJQGRSA-N -1 0 317.345 -0.068 20 0 DBADRM Cn1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c1C(=O)[O-] ZINC001600977197 1017765756 /nfs/dbraw/zinc/76/57/56/1017765756.db2.gz DSZVREYMPHCCOU-QMMMGPOBSA-N -1 0 316.335 -0.595 20 0 DBADRM Cn1ccn2c(CN3CCO[C@H](CC(=O)[O-])C3)nnc2c1=O ZINC001600981012 1017766506 /nfs/dbraw/zinc/76/65/06/1017766506.db2.gz ORZLJIZWSBILGN-SECBINFHSA-N -1 0 307.310 -0.897 20 0 DBADRM Cn1cccc(C(=O)OCCCc2cn(CC(=O)[O-])nn2)c1=O ZINC001600979399 1017766946 /nfs/dbraw/zinc/76/69/46/1017766946.db2.gz IFZZELGXSYHQGD-UHFFFAOYSA-N -1 0 320.305 -0.149 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N[C@]2(CC(=O)[O-])CCOC2)c1=O ZINC001600979747 1017766982 /nfs/dbraw/zinc/76/69/82/1017766982.db2.gz VWXSKRRHNXFXDJ-AWEZNQCLSA-N -1 0 323.305 -0.926 20 0 DBADRM Cn1ccnc1CNCCN(CCO)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600986391 1017767245 /nfs/dbraw/zinc/76/72/45/1017767245.db2.gz BMHQDIDOPBXNKW-GHMZBOCLSA-N -1 0 310.354 -0.949 20 0 DBADRM Cn1ccnc1C1(O)CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC001600982392 1017767600 /nfs/dbraw/zinc/76/76/00/1017767600.db2.gz GXHIOHAHOGAZPL-MNOVXSKESA-N -1 0 323.349 -0.138 20 0 DBADRM Cn1cnc(C(=O)N[C@@H]2CCN(c3ccnc(C(=O)[O-])n3)C2)c1 ZINC001600986664 1017767954 /nfs/dbraw/zinc/76/79/54/1017767954.db2.gz DOBLWGYJRIPNDZ-SECBINFHSA-N -1 0 316.321 -0.083 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])c1=O ZINC001600979597 1017768909 /nfs/dbraw/zinc/76/89/09/1017768909.db2.gz PMPPPBZQKUNXBE-RKDXNWHRSA-N -1 0 307.306 -0.307 20 0 DBADRM Cn1cnc(CCCN2C(=O)[C@H]3C[C@@H](C(=O)[O-])CCN3C2=O)n1 ZINC001600989837 1017771076 /nfs/dbraw/zinc/77/10/76/1017771076.db2.gz FCMSZZHIDXFEDE-VHSXEESVSA-N -1 0 321.337 -0.125 20 0 DBADRM Cn1cnc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001600987742 1017772732 /nfs/dbraw/zinc/77/27/32/1017772732.db2.gz TYWZXKJWNZPQKH-NAKRPEOUSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1cnc(CCCNC(=O)NCCSCC(=O)[O-])n1 ZINC001600990071 1017772946 /nfs/dbraw/zinc/77/29/46/1017772946.db2.gz JNEMOUXGWKAZMW-UHFFFAOYSA-N -1 0 301.372 -0.135 20 0 DBADRM Cn1cnnc1[C@H](CO)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001600994844 1017774319 /nfs/dbraw/zinc/77/43/19/1017774319.db2.gz YQHPCLHFFXFWRX-LPEHRKFASA-N -1 0 312.326 -0.623 20 0 DBADRM Cn1cncc1CCC(=O)NCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600992658 1017774811 /nfs/dbraw/zinc/77/48/11/1017774811.db2.gz ASRZQMDMNLIAJM-GHMZBOCLSA-N -1 0 308.338 -0.694 20 0 DBADRM Cn1cnn(CCC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)c1=O ZINC001600994805 1017774922 /nfs/dbraw/zinc/77/49/22/1017774922.db2.gz XBGKTCLAPYMSFA-XPUUQOCRSA-N -1 0 304.253 -0.946 20 0 DBADRM Cn1cnnc1S(=O)(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001600995359 1017775239 /nfs/dbraw/zinc/77/52/39/1017775239.db2.gz PMIYAOFHJRRVJX-RKDXNWHRSA-N -1 0 318.355 -0.637 20 0 DBADRM Cn1cncc1C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001600992407 1017775279 /nfs/dbraw/zinc/77/52/79/1017775279.db2.gz NYQBQEZJWOHOAI-UHFFFAOYSA-N -1 0 315.351 -0.428 20 0 DBADRM Cn1cnn(CCC(=O)OCC(=O)c2cc(C(=O)[O-])co2)c1=O ZINC001600994176 1017775332 /nfs/dbraw/zinc/77/53/32/1017775332.db2.gz CBHIMVLGNHSJAD-UHFFFAOYSA-N -1 0 323.261 -0.311 20 0 DBADRM Cn1cncc1CCC(=O)NCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600992661 1017777088 /nfs/dbraw/zinc/77/70/88/1017777088.db2.gz ASRZQMDMNLIAJM-WDEREUQCSA-N -1 0 308.338 -0.694 20 0 DBADRM Cn1nc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)cc1Cl ZINC001600998533 1017778179 /nfs/dbraw/zinc/77/81/79/1017778179.db2.gz FYBFAWZOGDQVGW-UHFFFAOYSA-N -1 0 324.728 -0.175 20 0 DBADRM Cn1cnnc1CN1CCC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600996646 1017778346 /nfs/dbraw/zinc/77/83/46/1017778346.db2.gz RGUJSSXNNVPBLA-RYUDHWBXSA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1cnn(CCC(=O)N2CCSC[C@@H]2CC(=O)[O-])c1=O ZINC001600996735 1017779185 /nfs/dbraw/zinc/77/91/85/1017779185.db2.gz ZGCPNKKVKVPNGN-VIFPVBQESA-N -1 0 314.367 -0.609 20 0 DBADRM Cn1cnn(CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])c1=O ZINC001600996675 1017779325 /nfs/dbraw/zinc/77/93/25/1017779325.db2.gz YTXTZIFUVOZSNK-LLVKDONJSA-N -1 0 322.296 -0.467 20 0 DBADRM Cn1cnn(CCC(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])c1=O ZINC001600995987 1017779647 /nfs/dbraw/zinc/77/96/47/1017779647.db2.gz OYUNUBGIHDQYDH-ZJUUUORDSA-N -1 0 312.326 -0.890 20 0 DBADRM Cn1cnn(CCC(=O)N2CCSC[C@H]2CC(=O)[O-])c1=O ZINC001600996734 1017779973 /nfs/dbraw/zinc/77/99/73/1017779973.db2.gz ZGCPNKKVKVPNGN-SECBINFHSA-N -1 0 314.367 -0.609 20 0 DBADRM Cn1cnnc1CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC001600996113 1017780288 /nfs/dbraw/zinc/78/02/88/1017780288.db2.gz JOPBLDZMGLTSMK-QWRGUYRKSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1cnnc1CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001600996255 1017780310 /nfs/dbraw/zinc/78/03/10/1017780310.db2.gz UTBOOPAPHBNLQG-UHFFFAOYSA-N -1 0 303.325 -0.552 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)CN1CCCCC(=O)C1=O ZINC001601002924 1017781554 /nfs/dbraw/zinc/78/15/54/1017781554.db2.gz MHDGFBKUSGYINH-UHFFFAOYSA-N -1 0 308.294 -0.362 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN(Cc2cn[nH]c2)CC1 ZINC001601000603 1017781648 /nfs/dbraw/zinc/78/16/48/1017781648.db2.gz RZWGGYBSFZJNCK-UHFFFAOYSA-N -1 0 318.337 -0.201 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC001601000415 1017782872 /nfs/dbraw/zinc/78/28/72/1017782872.db2.gz GOZNFVHVBFWBJG-LLVKDONJSA-N -1 0 307.306 -0.062 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001601004798 1017782936 /nfs/dbraw/zinc/78/29/36/1017782936.db2.gz GFCCPMPRNWAKRU-LJGSYFOKSA-N -1 0 316.339 -0.185 20 0 DBADRM Cn1nc(C(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])ccc1=O ZINC001601011613 1017784102 /nfs/dbraw/zinc/78/41/02/1017784102.db2.gz JVYWVFAFIHEOMH-GXSJLCMTSA-N -1 0 309.322 -0.220 20 0 DBADRM Cn1nc(NC(=O)NC2CN(c3ccncn3)C2)cc1C(=O)[O-] ZINC001601015265 1017784187 /nfs/dbraw/zinc/78/41/87/1017784187.db2.gz FQALBVOAXGQCEJ-UHFFFAOYSA-N -1 0 317.309 -0.081 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001601023751 1017786695 /nfs/dbraw/zinc/78/66/95/1017786695.db2.gz ULMWKSDKXASTPZ-VDAHYXPESA-N -1 0 308.294 -0.507 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCC2(C1)OCCO2 ZINC001601022288 1017786808 /nfs/dbraw/zinc/78/68/08/1017786808.db2.gz WSDWMFKKPFMRNS-UHFFFAOYSA-N -1 0 324.293 -0.968 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)OCC(=O)NCCC(=O)[O-])CC2 ZINC001601030365 1017787991 /nfs/dbraw/zinc/78/79/91/1017787991.db2.gz GLDBMHJZVWAJOG-VIFPVBQESA-N -1 0 309.322 -0.341 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001601027400 1017788268 /nfs/dbraw/zinc/78/82/68/1017788268.db2.gz HMWOVCPBQMAKBF-YUMQZZPRSA-N -1 0 323.758 -0.328 20 0 DBADRM Cn1ncc(CNC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CCC2)n1 ZINC001601027830 1017789586 /nfs/dbraw/zinc/78/95/86/1017789586.db2.gz RYXSZKSOBPQOHV-GHMZBOCLSA-N -1 0 307.354 -0.336 20 0 DBADRM Cn1nccc1[C@H](CO)N[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001601031468 1017790085 /nfs/dbraw/zinc/79/00/85/1017790085.db2.gz FNTVHSWMPNPSKM-MNOVXSKESA-N -1 0 310.354 -0.491 20 0 DBADRM Cn1nccc1C(=O)N1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601031439 1017790382 /nfs/dbraw/zinc/79/03/82/1017790382.db2.gz CQZFSEQBTIEREZ-WDEREUQCSA-N -1 0 320.349 -0.185 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)/C=C\CN1CCOCC1)C(=O)[O-] ZINC001601033187 1017792054 /nfs/dbraw/zinc/79/20/54/1017792054.db2.gz VNCZPXQHYBUIFL-XQJDBVBESA-N -1 0 308.338 -0.450 20 0 DBADRM Cn1ncc2c1CN(C(=O)Cn1cccc(C(=O)[O-])c1=O)C2 ZINC001601032845 1017792223 /nfs/dbraw/zinc/79/22/23/1017792223.db2.gz OMCNOHIBTIDHQO-UHFFFAOYSA-N -1 0 302.290 -0.178 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@H]1CCc2nncn2C1)C(=O)[O-] ZINC001601032929 1017792487 /nfs/dbraw/zinc/79/24/87/1017792487.db2.gz NJGFCOZQHZDJDE-KWQFWETISA-N -1 0 304.310 -0.484 20 0 DBADRM Cn1nccc1[C@H]1COCCN1C(=O)NCCOCC(=O)[O-] ZINC001601037594 1017793585 /nfs/dbraw/zinc/79/35/85/1017793585.db2.gz IXICVZQTIDMFEB-LLVKDONJSA-N -1 0 312.326 -0.396 20 0 DBADRM Cn1ncnc1CCCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001601038605 1017793749 /nfs/dbraw/zinc/79/37/49/1017793749.db2.gz CKSATEKCDLXXFS-JTQLQIEISA-N -1 0 323.353 -0.813 20 0 DBADRM Cn1nccc1NC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001601037574 1017795202 /nfs/dbraw/zinc/79/52/02/1017795202.db2.gz CHCQHCXKLKZDJD-VHSXEESVSA-N -1 0 306.322 -0.072 20 0 DBADRM Cn1nnc(CNS(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1 ZINC001601041122 1017796931 /nfs/dbraw/zinc/79/69/31/1017796931.db2.gz RQPPECYXALCDCS-UHFFFAOYSA-N -1 0 315.286 -0.474 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001601040814 1017797751 /nfs/dbraw/zinc/79/77/51/1017797751.db2.gz JTTJAFLPWJQHSY-WPRPVWTQSA-N -1 0 305.294 -0.587 20 0 DBADRM Cn1ncnc1S(=O)(=O)Cc1noc(CCCC(=O)[O-])n1 ZINC001601040094 1017797789 /nfs/dbraw/zinc/79/77/89/1017797789.db2.gz TWNFUFSHCJFMCY-UHFFFAOYSA-N -1 0 315.311 -0.421 20 0 DBADRM Cn1nnc2c1C[C@@H](NC(=O)N1C[C@H]3[C@H](C(=O)[O-])[C@H]3C1)CC2 ZINC001601041591 1017797984 /nfs/dbraw/zinc/79/79/84/1017797984.db2.gz AMOVRQOJZCSRIO-APOZVJGGSA-N -1 0 305.338 -0.356 20 0 DBADRM Cn1nnc2c1ncnc2N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001601042252 1017798292 /nfs/dbraw/zinc/79/82/92/1017798292.db2.gz KJDJNUSADQEJNF-ISVAXAHUSA-N -1 0 304.310 -0.314 20 0 DBADRM Cn1nnc2ccc(C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)cc21 ZINC001601041290 1017798373 /nfs/dbraw/zinc/79/83/73/1017798373.db2.gz APHYHMTZQOSPGQ-VHSXEESVSA-N -1 0 304.306 -0.124 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001601040585 1017798450 /nfs/dbraw/zinc/79/84/50/1017798450.db2.gz FCOBCDBONYZYEQ-LLVKDONJSA-N -1 0 319.321 -0.339 20 0 DBADRM Cn1nnc(NC(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)n1 ZINC001601040650 1017798706 /nfs/dbraw/zinc/79/87/06/1017798706.db2.gz FXPDEUMIOXPAAA-XIGTVVQJSA-N -1 0 310.314 -0.256 20 0 DBADRM Cn1nnc(CNS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC001601040493 1017799127 /nfs/dbraw/zinc/79/91/27/1017799127.db2.gz KGCFDIYSDROHIX-SFYZADRCSA-N -1 0 303.344 -0.727 20 0 DBADRM Cn1nncc1C(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001601042244 1017799163 /nfs/dbraw/zinc/79/91/63/1017799163.db2.gz KXMMPZWMGGVKEM-SECBINFHSA-N -1 0 317.309 -0.370 20 0 DBADRM Cn1nnc(CNC(=O)NC(C)(C)c2nocc2C(=O)[O-])n1 ZINC001601040648 1017799917 /nfs/dbraw/zinc/79/99/17/1017799917.db2.gz NHDJULKGCSVOKN-UHFFFAOYSA-N -1 0 309.286 -0.369 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001601043523 1017800468 /nfs/dbraw/zinc/80/04/68/1017800468.db2.gz WLMNYWZAWSAKEV-UHFFFAOYSA-N -1 0 303.278 -0.748 20 0 DBADRM Cn1nnc2c1ncnc2N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001601043674 1017801085 /nfs/dbraw/zinc/80/10/85/1017801085.db2.gz WVYQIUFZOGIBAW-UHFFFAOYSA-N -1 0 317.309 -0.042 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)CCSCC(=O)[O-])C1 ZINC001601042833 1017801149 /nfs/dbraw/zinc/80/11/49/1017801149.db2.gz JYIXTVAGWOYYQO-UHFFFAOYSA-N -1 0 300.340 -0.947 20 0 DBADRM Cn1nnc2c1CC[C@@H](NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C2 ZINC001601043895 1017801230 /nfs/dbraw/zinc/80/12/30/1017801230.db2.gz QPCBPKWIKREFPM-KBVBSXBZSA-N -1 0 323.353 -0.539 20 0 DBADRM Cn1nnnc1SCCC(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001601047011 1017801859 /nfs/dbraw/zinc/80/18/59/1017801859.db2.gz XDDWXKJJBNZGIP-RXMQYKEDSA-N -1 0 309.298 -0.083 20 0 DBADRM Cn1oc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cc1=O ZINC001601045927 1017801906 /nfs/dbraw/zinc/80/19/06/1017801906.db2.gz RURCTQJBSOJNEJ-XAVMHZPKSA-N -1 0 323.305 -0.924 20 0 DBADRM Cn1oc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cc1=O ZINC001601045905 1017802072 /nfs/dbraw/zinc/80/20/72/1017802072.db2.gz RURCTQJBSOJNEJ-BZNPZCIMSA-N -1 0 323.305 -0.924 20 0 DBADRM NC(=O)C(=O)N[C@]12CCC[C@@H]1N(c1ccnc(C(=O)[O-])n1)CC2 ZINC001601136282 1017807726 /nfs/dbraw/zinc/80/77/26/1017807726.db2.gz AJLQCFVXRIHGBP-RTHLEPHNSA-N -1 0 319.321 -0.722 20 0 DBADRM NC(=O)[C@](O)(CN1CCOC[C@@H]1CC(=O)[O-])c1ccccc1 ZINC001601138406 1017808445 /nfs/dbraw/zinc/80/84/45/1017808445.db2.gz CREZZBAYIKYRJF-WFASDCNBSA-N -1 0 308.334 -0.465 20 0 DBADRM CC(C)=CC(=O)NCC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001498459785 1017808887 /nfs/dbraw/zinc/80/88/87/1017808887.db2.gz JHVCBPMVUFIUQB-UHFFFAOYSA-N -1 0 320.349 -0.360 20 0 DBADRM NC(=O)[C@H](F)C1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001601137835 1017808995 /nfs/dbraw/zinc/80/89/95/1017808995.db2.gz DZRIUUYETXTVIE-SECBINFHSA-N -1 0 322.358 -0.284 20 0 DBADRM NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(C(=O)[O-])n1)C2 ZINC001601137512 1017809087 /nfs/dbraw/zinc/80/90/87/1017809087.db2.gz UDLIBRYXCWVTHZ-YIZRAAEISA-N -1 0 319.321 -0.866 20 0 DBADRM NC(=O)C1(NC(=O)CCc2ocnc2C(=O)[O-])CCOCC1 ZINC001601138906 1017809090 /nfs/dbraw/zinc/80/90/90/1017809090.db2.gz NJEKZGNOMYVBDU-UHFFFAOYSA-N -1 0 311.294 -0.544 20 0 DBADRM NC(=O)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(C(=O)[O-])n1 ZINC001601137348 1017809199 /nfs/dbraw/zinc/80/91/99/1017809199.db2.gz NZHVSDPYZFCRQM-BDAKNGLRSA-N -1 0 319.321 -0.770 20 0 DBADRM NC(=O)C(=O)N[C@@H]1CC12CCN(c1ccnc(C(=O)[O-])n1)CC2 ZINC001601137360 1017809333 /nfs/dbraw/zinc/80/93/33/1017809333.db2.gz OHVSMXWYIXXMSV-MRVPVSSYSA-N -1 0 319.321 -0.865 20 0 DBADRM NC(=O)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001601137496 1017809439 /nfs/dbraw/zinc/80/94/39/1017809439.db2.gz SPWMDAYWTZHAIZ-RKDXNWHRSA-N -1 0 307.310 -0.501 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1 ZINC001601142281 1017809689 /nfs/dbraw/zinc/80/96/89/1017809689.db2.gz XACISHAQJYPUHT-KBDSZGMXSA-N -1 0 324.337 -0.585 20 0 DBADRM NC(=O)C12CCC(CC1)N2C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001601141147 1017809727 /nfs/dbraw/zinc/80/97/27/1017809727.db2.gz RDCUKBVKWBCQAL-UHFFFAOYSA-N -1 0 319.317 -0.445 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])co2)O1 ZINC001601143144 1017809942 /nfs/dbraw/zinc/80/99/42/1017809942.db2.gz ZXQKIIAISUYXHG-YUMQZZPRSA-N -1 0 318.307 -0.711 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1 ZINC001601142282 1017809952 /nfs/dbraw/zinc/80/99/52/1017809952.db2.gz XACISHAQJYPUHT-SPFKKGSWSA-N -1 0 324.337 -0.585 20 0 DBADRM NC(=O)[C@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)c1ccccn1 ZINC001601140485 1017810428 /nfs/dbraw/zinc/81/04/28/1017810428.db2.gz WJDSSDCMVANUSG-SECBINFHSA-N -1 0 313.335 -0.608 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1 ZINC001601141374 1017810458 /nfs/dbraw/zinc/81/04/58/1017810458.db2.gz UODKSTWGMKWVKN-UHFFFAOYSA-N -1 0 302.283 -0.180 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)CCCn2ccc(C(=O)[O-])n2)O1 ZINC001601142618 1017810473 /nfs/dbraw/zinc/81/04/73/1017810473.db2.gz MUHZOIZMLWRGPQ-MWLCHTKSSA-N -1 0 324.337 -0.489 20 0 DBADRM NC(=O)C12CCC(CC1)N2C(=O)COCc1ocnc1C(=O)[O-] ZINC001601140650 1017810478 /nfs/dbraw/zinc/81/04/78/1017810478.db2.gz IEUPFIATOMMETM-UHFFFAOYSA-N -1 0 323.305 -0.102 20 0 DBADRM NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001601145849 1017810869 /nfs/dbraw/zinc/81/08/69/1017810869.db2.gz TVPYHGDXDJIPGX-BDAKNGLRSA-N -1 0 304.368 -0.043 20 0 DBADRM NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001601145850 1017810922 /nfs/dbraw/zinc/81/09/22/1017810922.db2.gz TVPYHGDXDJIPGX-DTWKUNHWSA-N -1 0 304.368 -0.043 20 0 DBADRM NC(=O)CC(=O)N1CC=C(CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601145041 1017811386 /nfs/dbraw/zinc/81/13/86/1017811386.db2.gz BHXAWMUZGZSZJN-QWRGUYRKSA-N -1 0 323.349 -0.753 20 0 DBADRM NC(=O)[C@H]1CSCCN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001601145231 1017811651 /nfs/dbraw/zinc/81/16/51/1017811651.db2.gz ADLOZDLVJDEKNX-SECBINFHSA-N -1 0 324.362 -0.379 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC001601146574 1017812058 /nfs/dbraw/zinc/81/20/58/1017812058.db2.gz XXDHZHUTFAJEDJ-WCABBAIRSA-N -1 0 308.338 -0.187 20 0 DBADRM NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001601147438 1017812100 /nfs/dbraw/zinc/81/21/00/1017812100.db2.gz DSOUKAOIQIHJTR-ZETCQYMHSA-N -1 0 317.323 -0.351 20 0 DBADRM NC(=O)[C@@H]1CSCCN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001601146268 1017812156 /nfs/dbraw/zinc/81/21/56/1017812156.db2.gz PTXQLGXITRUNOS-VGMNWLOBSA-N -1 0 322.408 -0.528 20 0 DBADRM NC(=O)C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)[O-])CCO1 ZINC001601148090 1017812179 /nfs/dbraw/zinc/81/21/79/1017812179.db2.gz KJRDEXNGTSQIDN-JTQLQIEISA-N -1 0 321.333 -0.101 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)Nc2cccc(C(=O)[O-])n2)CCO1 ZINC001601147795 1017812350 /nfs/dbraw/zinc/81/23/50/1017812350.db2.gz FPFJMYXNSPSJRS-MRVPVSSYSA-N -1 0 308.294 -0.112 20 0 DBADRM NC(=O)CC(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(C(=O)[O-])n1 ZINC001601146762 1017812381 /nfs/dbraw/zinc/81/23/81/1017812381.db2.gz UUZBCRDUBUPARX-BDAKNGLRSA-N -1 0 321.337 -0.831 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)NC[C@H](CC(=O)[O-])C2CC2)CCO1 ZINC001601147817 1017812414 /nfs/dbraw/zinc/81/24/14/1017812414.db2.gz FWVWDRASVBXXDW-WDEREUQCSA-N -1 0 313.354 -0.227 20 0 DBADRM NC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001601146634 1017812561 /nfs/dbraw/zinc/81/25/61/1017812561.db2.gz YOFBKDNDFBMCGW-MRVPVSSYSA-N -1 0 320.305 -0.558 20 0 DBADRM NC(=O)C[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001601147899 1017812626 /nfs/dbraw/zinc/81/26/26/1017812626.db2.gz HVWJWEPQPQJMPD-QMMMGPOBSA-N -1 0 313.335 -0.334 20 0 DBADRM NC(=O)CC1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001601148292 1017812670 /nfs/dbraw/zinc/81/26/70/1017812670.db2.gz MBXWCCWRHTYYHB-UHFFFAOYSA-N -1 0 323.280 -0.204 20 0 DBADRM NC(=O)CN(C1CCCC1)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001601150839 1017813112 /nfs/dbraw/zinc/81/31/12/1017813112.db2.gz IVUKNHHGKRFLNR-UHFFFAOYSA-N -1 0 316.339 -0.474 20 0 DBADRM NC(=O)CN(C(=O)c1csc(C(=O)[O-])n1)C1CCOCC1 ZINC001601150849 1017813151 /nfs/dbraw/zinc/81/31/51/1017813151.db2.gz IZDHXUSXXFUSQG-UHFFFAOYSA-N -1 0 313.335 -0.052 20 0 DBADRM NC(=O)CCCCC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001601149728 1017813538 /nfs/dbraw/zinc/81/35/38/1017813538.db2.gz YDBLYMDFSAQYFU-SECBINFHSA-N -1 0 309.326 -0.205 20 0 DBADRM NC(=O)CC1CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC001601149191 1017813701 /nfs/dbraw/zinc/81/37/01/1017813701.db2.gz VPRKRUKYCFBAPI-UHFFFAOYSA-N -1 0 323.280 -0.204 20 0 DBADRM NC(=O)CCCC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001601149784 1017813770 /nfs/dbraw/zinc/81/37/70/1017813770.db2.gz ONBHFXLOLZLUCM-VIFPVBQESA-N -1 0 309.326 -0.205 20 0 DBADRM NC(=O)CN1CCC[C@H](NC(=O)CCSCC(=O)[O-])C1 ZINC001601150668 1017813858 /nfs/dbraw/zinc/81/38/58/1017813858.db2.gz CYUDMXGPXJCNGO-VIFPVBQESA-N -1 0 303.384 -0.740 20 0 DBADRM NC(=O)CN1CCCN(C(=O)c2csc(C(=O)[O-])n2)CC1 ZINC001601150718 1017813885 /nfs/dbraw/zinc/81/38/85/1017813885.db2.gz GLVUSHOIEMZGOJ-UHFFFAOYSA-N -1 0 312.351 -0.526 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)C1 ZINC001601154649 1017814276 /nfs/dbraw/zinc/81/42/76/1017814276.db2.gz RCEAHSXNZDDMEV-QMMMGPOBSA-N -1 0 321.337 -0.176 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001601155384 1017814356 /nfs/dbraw/zinc/81/43/56/1017814356.db2.gz IVOCMLYVNMMXCI-JGVFFNPUSA-N -1 0 301.299 -0.900 20 0 DBADRM NC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001601155549 1017814458 /nfs/dbraw/zinc/81/44/58/1017814458.db2.gz VXIYJJGPUQTXJK-IUCAKERBSA-N -1 0 315.326 -0.748 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)C1 ZINC001601154648 1017814763 /nfs/dbraw/zinc/81/47/63/1017814763.db2.gz RCEAHSXNZDDMEV-MRVPVSSYSA-N -1 0 321.337 -0.176 20 0 DBADRM NC(=O)Cc1csc(NC(=O)Cn2cc(C(=O)[O-])cn2)n1 ZINC001601153124 1017814797 /nfs/dbraw/zinc/81/47/97/1017814797.db2.gz FNWVZWIYQLMOSL-UHFFFAOYSA-N -1 0 309.307 -0.296 20 0 DBADRM NC(=O)Cc1ccc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)cc1 ZINC001601153694 1017815139 /nfs/dbraw/zinc/81/51/39/1017815139.db2.gz XZZGGOAHGZNGDH-UHFFFAOYSA-N -1 0 319.317 -0.224 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCSC[C@H]2CC(=O)[O-])O1 ZINC001601158528 1017815660 /nfs/dbraw/zinc/81/56/60/1017815660.db2.gz JLEFGZWIBUYJOQ-HRDYMLBCSA-N -1 0 302.352 -0.562 20 0 DBADRM NC(=O)NC1(C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])CC1 ZINC001601158265 1017815403 /nfs/dbraw/zinc/81/54/03/1017815403.db2.gz ODJZQLJFLOCUSB-JTQLQIEISA-N -1 0 306.322 -0.358 20 0 DBADRM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001601156963 1017815408 /nfs/dbraw/zinc/81/54/08/1017815408.db2.gz BEQLZLRNCQKTEV-RXMQYKEDSA-N -1 0 320.352 -0.727 20 0 DBADRM NC(=O)NCCCCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001601157268 1017815932 /nfs/dbraw/zinc/81/59/32/1017815932.db2.gz HWLHURFNGUTJCO-UHFFFAOYSA-N -1 0 310.314 -0.802 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](CC2OCCO2)C(=O)[O-])C1 ZINC001601157333 1017815981 /nfs/dbraw/zinc/81/59/81/1017815981.db2.gz UHWTUKZEOOUJQK-HRDYMLBCSA-N -1 0 300.311 -0.780 20 0 DBADRM NC(=O)NCCCCC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001601156497 1017816125 /nfs/dbraw/zinc/81/61/25/1017816125.db2.gz UEDAFXBKRDYAEH-UWVGGRQHSA-N -1 0 301.343 -0.037 20 0 DBADRM NC(=O)N[C@@H](CO)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001601157875 1017816147 /nfs/dbraw/zinc/81/61/47/1017816147.db2.gz HGKVBUKKDXQDJL-NSHDSACASA-N -1 0 307.306 -0.701 20 0 DBADRM NC(=O)NC[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001601158325 1017816152 /nfs/dbraw/zinc/81/61/52/1017816152.db2.gz XDDMYVMANHAWRO-VIFPVBQESA-N -1 0 309.326 -0.512 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])nc1Cl ZINC001601162603 1017816477 /nfs/dbraw/zinc/81/64/77/1017816477.db2.gz DJKIBEWVBZTVAY-POYBYMJQSA-N -1 0 313.697 -0.194 20 0 DBADRM NC(=O)c1cc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)ccc1F ZINC001601161888 1017816599 /nfs/dbraw/zinc/81/65/99/1017816599.db2.gz QTWAEWQJJUBFGH-UHFFFAOYSA-N -1 0 323.280 -0.013 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])C1 ZINC001601159095 1017816643 /nfs/dbraw/zinc/81/66/43/1017816643.db2.gz ZOGRKOKXZCMXJP-UTLUCORTSA-N -1 0 311.338 -0.920 20 0 DBADRM NC(=O)NC1(C(=O)N[C@@H](Cc2ccccc2O)C(=O)[O-])CC1 ZINC001601158916 1017816674 /nfs/dbraw/zinc/81/66/74/1017816674.db2.gz YXRPVHVXIRRUMH-VIFPVBQESA-N -1 0 307.306 -0.295 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])c1 ZINC001601163139 1017816787 /nfs/dbraw/zinc/81/67/87/1017816787.db2.gz BFDOMEFYZFOKQA-VIFPVBQESA-N -1 0 308.319 -0.004 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)O1 ZINC001601159141 1017816900 /nfs/dbraw/zinc/81/69/00/1017816900.db2.gz BSXDSDLCPKUWCY-MXWKQRLJSA-N -1 0 314.338 -0.498 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])O1 ZINC001601159955 1017817095 /nfs/dbraw/zinc/81/70/95/1017817095.db2.gz RYXQGBRRBWZWGQ-MMWGEVLESA-N -1 0 314.338 -0.595 20 0 DBADRM NC(=O)[C@H]1CCCN1S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001601159135 1017817106 /nfs/dbraw/zinc/81/71/06/1017817106.db2.gz BNNQPZUYEXVWNT-SECBINFHSA-N -1 0 304.368 -0.089 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001601159187 1017817140 /nfs/dbraw/zinc/81/71/40/1017817140.db2.gz DYYOMESNVXKLQJ-HFBDOXOYSA-N -1 0 310.350 -0.284 20 0 DBADRM NC(=O)c1cc(N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)ccn1 ZINC001601161873 1017817164 /nfs/dbraw/zinc/81/71/64/1017817164.db2.gz QETYHHUCYKESJW-SECBINFHSA-N -1 0 302.294 -0.078 20 0 DBADRM NC(=O)c1cc(N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)ccn1 ZINC001601161874 1017817211 /nfs/dbraw/zinc/81/72/11/1017817211.db2.gz QETYHHUCYKESJW-VIFPVBQESA-N -1 0 302.294 -0.078 20 0 DBADRM NC(=O)c1ccc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)nc1 ZINC001601166863 1017817630 /nfs/dbraw/zinc/81/76/30/1017817630.db2.gz XQHAHHABTQTWFV-HNNXBMFYSA-N -1 0 320.349 -0.454 20 0 DBADRM NC(=O)c1ccc(/C=C\C(=O)N[C@H](CC2OCCO2)C(=O)[O-])o1 ZINC001601164471 1017817648 /nfs/dbraw/zinc/81/76/48/1017817648.db2.gz FULLRBKNHDYNFO-FIFYQCSRSA-N -1 0 324.289 -0.276 20 0 DBADRM NC(=O)c1ccc(COC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC001601165423 1017817867 /nfs/dbraw/zinc/81/78/67/1017817867.db2.gz KZQRVSZHSLKOGV-UHFFFAOYSA-N -1 0 304.262 -0.181 20 0 DBADRM NC(=O)c1cccc(CCNC(=O)NCCOCC(=O)[O-])c1 ZINC001601167798 1017817956 /nfs/dbraw/zinc/81/79/56/1017817956.db2.gz IGNRUTJQTWXZMD-UHFFFAOYSA-N -1 0 309.322 -0.272 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)NCC[C@H](O)C(=O)[O-])cc1 ZINC001601167204 1017817963 /nfs/dbraw/zinc/81/79/63/1017817963.db2.gz INEJBHFWXHANAU-NSHDSACASA-N -1 0 310.306 -0.494 20 0 DBADRM NC(=O)c1ccc(OCC(=O)NC[C@]2(C(=O)[O-])CCOC2)cc1 ZINC001601167137 1017818004 /nfs/dbraw/zinc/81/80/04/1017818004.db2.gz LFYVKXAZWVVRCD-OAHLLOKOSA-N -1 0 322.317 -0.228 20 0 DBADRM NC(=O)c1ccc(CCC(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1 ZINC001601164414 1017818031 /nfs/dbraw/zinc/81/80/31/1017818031.db2.gz NEHLZVFDFQXIKQ-OAHLLOKOSA-N -1 0 306.318 -0.234 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1 ZINC001601164741 1017818060 /nfs/dbraw/zinc/81/80/60/1017818060.db2.gz SSCSBUBQEXWYTG-NWDGAFQWSA-N -1 0 306.318 -0.378 20 0 DBADRM NC(=O)c1ncn(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)n1 ZINC001601173340 1017818852 /nfs/dbraw/zinc/81/88/52/1017818852.db2.gz JMOGTADGFAHPOF-UHFFFAOYSA-N -1 0 307.241 -0.147 20 0 DBADRM NC(=O)c1ccccc1CCC(=O)NCC(=O)NCC(=O)[O-] ZINC001601169473 1017819408 /nfs/dbraw/zinc/81/94/08/1017819408.db2.gz ZPPKNKZICQQQQR-UHFFFAOYSA-N -1 0 307.306 -0.965 20 0 DBADRM NC(=O)c1cn(CCOC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)nn1 ZINC001601170109 1017819579 /nfs/dbraw/zinc/81/95/79/1017819579.db2.gz PYZOJYNLNGPKJE-DTWKUNHWSA-N -1 0 310.310 -0.189 20 0 DBADRM NC(=O)c1ncn(CC(=O)N(CC(=O)[O-])C2CCCCC2)n1 ZINC001601174454 1017820755 /nfs/dbraw/zinc/82/07/55/1017820755.db2.gz WUNMUAUEZMJBBF-UHFFFAOYSA-N -1 0 309.326 -0.377 20 0 DBADRM NC(=S)c1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC001601174204 1017820798 /nfs/dbraw/zinc/82/07/98/1017820798.db2.gz UMHLUYBMVGIFNB-JTQLQIEISA-N -1 0 321.358 -0.264 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001601192360 1017822311 /nfs/dbraw/zinc/82/23/11/1017822311.db2.gz LTVBPTUMRRBICY-UDNWOFFPSA-N -1 0 319.383 -0.298 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)Cc2ccc(C(=O)[O-])nc2)C1 ZINC001601192312 1017822690 /nfs/dbraw/zinc/82/26/90/1017822690.db2.gz KBCGGTFRCPXOMN-VIFPVBQESA-N -1 0 313.335 -0.788 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1 ZINC001601192526 1017822719 /nfs/dbraw/zinc/82/27/19/1017822719.db2.gz ONMHGZSSCUUVKB-UHFFFAOYSA-N -1 0 316.379 -0.041 20 0 DBADRM NS(=O)(=O)C1(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1 ZINC001601192532 1017822821 /nfs/dbraw/zinc/82/28/21/1017822821.db2.gz OXEXYIHDTXHQNZ-KWQFWETISA-N -1 0 302.352 -0.479 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(Cc2noc(CCCC(=O)[O-])n2)C1 ZINC001601194161 1017823944 /nfs/dbraw/zinc/82/39/44/1017823944.db2.gz ODILPXGVXBKBHA-QMMMGPOBSA-N -1 0 318.355 -0.660 20 0 DBADRM NS(=O)(=O)CCN1CCOc2c(cccc2C(=O)[O-])C1 ZINC001601193769 1017824056 /nfs/dbraw/zinc/82/40/56/1017824056.db2.gz JFMXQZLBTIRSIX-UHFFFAOYSA-N -1 0 300.336 -0.132 20 0 DBADRM NS(=O)(=O)Cc1ccc(C(=O)NC[C@@H](O)CC(=O)[O-])cc1 ZINC001601194924 1017824543 /nfs/dbraw/zinc/82/45/43/1017824543.db2.gz XJXQVXDNKPDCCU-JTQLQIEISA-N -1 0 316.335 -0.960 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H](CF)C(=O)[O-])oc1Cl ZINC001601196157 1017824667 /nfs/dbraw/zinc/82/46/67/1017824667.db2.gz QFLDQVNJILKZEZ-VKHMYHEASA-N -1 0 314.678 -0.267 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)o1 ZINC001601197449 1017824851 /nfs/dbraw/zinc/82/48/51/1017824851.db2.gz ZJXXXQJOOLHQGL-LLVKDONJSA-N -1 0 318.307 -0.709 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)co1 ZINC001601196313 1017824951 /nfs/dbraw/zinc/82/49/51/1017824951.db2.gz XTEOULVQIOXASE-JTQLQIEISA-N -1 0 306.271 -0.434 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)o1 ZINC001601196661 1017824970 /nfs/dbraw/zinc/82/49/70/1017824970.db2.gz FUBWBYQXDQPZAC-FFWSUHOLSA-N -1 0 324.261 -0.377 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CC2)ccc1F ZINC001601196104 1017824973 /nfs/dbraw/zinc/82/49/73/1017824973.db2.gz OCCUXSHXCGERHP-UHFFFAOYSA-N -1 0 302.283 -0.180 20 0 DBADRM NS(=O)(=O)NC[C@H]1CCCN(c2cncc(C(=O)[O-])n2)C1 ZINC001601195623 1017825084 /nfs/dbraw/zinc/82/50/84/1017825084.db2.gz WQONHGCHEVARMP-MRVPVSSYSA-N -1 0 315.355 -0.816 20 0 DBADRM NS(=O)(=O)NC1CN(c2nc(Cl)c(C(=O)[O-])s2)C1 ZINC001601195322 1017825171 /nfs/dbraw/zinc/82/51/71/1017825171.db2.gz PHSHAOJUYBAYOJ-UHFFFAOYSA-N -1 0 312.760 -0.524 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H](CF)C(=O)[O-])ccc1F ZINC001601196222 1017825198 /nfs/dbraw/zinc/82/51/98/1017825198.db2.gz TZSRTTNJCAYKKR-SSDOTTSWSA-N -1 0 308.262 -0.374 20 0 DBADRM NS(=O)(=O)c1nc(C(=O)NC2(C(=O)[O-])CC2)n2ccccc12 ZINC001601201645 1017825533 /nfs/dbraw/zinc/82/55/33/1017825533.db2.gz KOWMXJMMKZFWCJ-UHFFFAOYSA-N -1 0 324.318 -0.671 20 0 DBADRM NS(=O)(=O)c1ccc(CN2CCC([C@@H](O)C(=O)[O-])CC2)o1 ZINC001601198548 1017825632 /nfs/dbraw/zinc/82/56/32/1017825632.db2.gz WRHZHNWBGYHPSE-LLVKDONJSA-N -1 0 318.351 -0.416 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)N2CC(O)(C(=O)[O-])C2)cs1 ZINC001601197667 1017826199 /nfs/dbraw/zinc/82/61/99/1017826199.db2.gz FSQVYLYAXFWXCV-UHFFFAOYSA-N -1 0 321.336 -0.941 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC001601197664 1017826515 /nfs/dbraw/zinc/82/65/15/1017826515.db2.gz FOZXPUVWJAJIFB-GFCCVEGCSA-N -1 0 316.310 -0.027 20 0 DBADRM Nc1nc(C2CC2)ncc1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001601219466 1017826686 /nfs/dbraw/zinc/82/66/86/1017826686.db2.gz IKYICYIEDLWAMQ-UHFFFAOYSA-N -1 0 306.322 -0.012 20 0 DBADRM Nc1cccnc1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001601218643 1017826693 /nfs/dbraw/zinc/82/66/93/1017826693.db2.gz LRYTVBZYURNFPB-UHFFFAOYSA-N -1 0 313.335 -0.574 20 0 DBADRM Nc1cc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])cc(Cl)n1 ZINC001601212347 1017827102 /nfs/dbraw/zinc/82/71/02/1017827102.db2.gz JCGSZMQAKKLOMS-ZETCQYMHSA-N -1 0 310.701 -0.208 20 0 DBADRM Nc1nc(C2CC2)ncc1C(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001601219301 1017827617 /nfs/dbraw/zinc/82/76/17/1017827617.db2.gz AFXIQPRDEWTRSB-UHFFFAOYSA-N -1 0 306.322 -0.108 20 0 DBADRM Nc1cc(Br)cc(C(=O)N[C@H](CO)C(=O)[O-])c1N ZINC001601212094 1017827642 /nfs/dbraw/zinc/82/76/42/1017827642.db2.gz BHBVTQPJHLROTE-SSDOTTSWSA-N -1 0 318.127 -0.211 20 0 DBADRM Nc1nccnc1C(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001601222013 1017827940 /nfs/dbraw/zinc/82/79/40/1017827940.db2.gz HEBOTIVGFPPIIU-MRVPVSSYSA-N -1 0 308.294 -0.319 20 0 DBADRM Nc1nc(C2CC2)ncc1C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001601220316 1017828415 /nfs/dbraw/zinc/82/84/15/1017828415.db2.gz WIANYQFUTGQPMH-SECBINFHSA-N -1 0 322.321 -0.118 20 0 DBADRM Nc1nccnc1C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001601221982 1017828507 /nfs/dbraw/zinc/82/85/07/1017828507.db2.gz VLMFHJGRJZMCKM-UHFFFAOYSA-N -1 0 317.309 -0.174 20 0 DBADRM O=C(/C=C\c1cc(C(=O)[O-])co1)NCCN1CCNC(=O)C1 ZINC001601232766 1017829030 /nfs/dbraw/zinc/82/90/30/1017829030.db2.gz HZADOYVLPRGRIL-UPHRSURJSA-N -1 0 307.306 -0.461 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@H]2CSC(c3ccccc3O)=N2)C1 ZINC001601229371 1017829035 /nfs/dbraw/zinc/82/90/35/1017829035.db2.gz ZOTYGNJJQZAPNT-VIFPVBQESA-N -1 0 322.342 -0.088 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)[C@@H]1CCS(=O)(=O)N1)CC2 ZINC001601228849 1017829169 /nfs/dbraw/zinc/82/91/69/1017829169.db2.gz YTMLLPCOZWFVNC-SBMIAAHKSA-N -1 0 302.352 -0.466 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)/C=C/CN3CCOCC3)C[C@H]1COCC2 ZINC001601231931 1017829470 /nfs/dbraw/zinc/82/94/70/1017829470.db2.gz PEHJBUZDPLGLLS-BWUNSPHZSA-N -1 0 324.377 -0.176 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N2CC[C@@H](C3CCCC3)C2)C1 ZINC001601225960 1017829492 /nfs/dbraw/zinc/82/94/92/1017829492.db2.gz SAKCGAXVZHYJKI-LLVKDONJSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C(C=CCN1CCOCC1)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001601230331 1017829506 /nfs/dbraw/zinc/82/95/06/1017829506.db2.gz AMCPVUINKNGKPA-BIOMNHJASA-N -1 0 308.338 -0.590 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)[C@@H]3C[C@]34CCOC4)CC2)CCOC1 ZINC001601227078 1017829674 /nfs/dbraw/zinc/82/96/74/1017829674.db2.gz KCGIFSLCKDCYKH-VBNZEHGJSA-N -1 0 324.377 -0.199 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)/C=C/Cn1cncn1 ZINC001601231713 1017829732 /nfs/dbraw/zinc/82/97/32/1017829732.db2.gz OSDZPHSOPWKFEJ-TXXBHVLJSA-N -1 0 310.310 -0.443 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@H]2C[C@]23C(=O)Nc2ccccc23)C1 ZINC001601227275 1017829904 /nfs/dbraw/zinc/82/99/04/1017829904.db2.gz OGDTZCKBNHSHNQ-RFAUZJTJSA-N -1 0 302.286 -0.446 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)C[C@H]2CCOC2)nc1 ZINC001601257136 1017830083 /nfs/dbraw/zinc/83/00/83/1017830083.db2.gz SGNBGFKXANVOKK-MWLCHTKSSA-N -1 0 324.337 -0.510 20 0 DBADRM O=C(C[C@@H]1CCNC1=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001601256629 1017830254 /nfs/dbraw/zinc/83/02/54/1017830254.db2.gz TZGMMKBFPXKJPK-IUCAKERBSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])C1(COC(=O)CC2(n3cnnn3)CCOCC2)CC1 ZINC001601247465 1017830309 /nfs/dbraw/zinc/83/03/09/1017830309.db2.gz RMTOCPCDVCRKRP-UHFFFAOYSA-N -1 0 310.310 -0.023 20 0 DBADRM O=C([O-])c1cnc(NCCNC(=O)C[C@@H]2COC(=O)C2)nc1 ZINC001601256524 1017830319 /nfs/dbraw/zinc/83/03/19/1017830319.db2.gz IIWPJXUFEUHBEZ-QMMMGPOBSA-N -1 0 308.294 -0.344 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001601257310 1017830357 /nfs/dbraw/zinc/83/03/57/1017830357.db2.gz WBUKPFWUNPJVHE-ONGXEEELSA-N -1 0 319.379 -0.193 20 0 DBADRM O=C([O-])c1ccc(/C=C\C(=O)NC[C@@H](O)Cn2ccnn2)o1 ZINC001601237207 1017830392 /nfs/dbraw/zinc/83/03/92/1017830392.db2.gz OGWWVMKNRMBGQZ-FIFYQCSRSA-N -1 0 306.278 -0.240 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)CC(=O)NCC(F)(F)F ZINC001601244062 1017830702 /nfs/dbraw/zinc/83/07/02/1017830702.db2.gz NTBPJLVTJOGOMJ-SSDOTTSWSA-N -1 0 322.243 -0.410 20 0 DBADRM O=C([O-])c1coc(CNC(=O)C[C@@H]2CCS(=O)(=O)C2)n1 ZINC001601255646 1017830799 /nfs/dbraw/zinc/83/07/99/1017830799.db2.gz AKQGDGCQIQBNGN-ZETCQYMHSA-N -1 0 302.308 -0.186 20 0 DBADRM O=C(C[C@H]1CCNC1=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001601256632 1017830859 /nfs/dbraw/zinc/83/08/59/1017830859.db2.gz TZGMMKBFPXKJPK-RKDXNWHRSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)NCCN2C(=O)CCC2=O)n1 ZINC001601272758 1017831335 /nfs/dbraw/zinc/83/13/35/1017831335.db2.gz RUVSOTJEGVNUPB-UHFFFAOYSA-N -1 0 322.321 -0.373 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)NC1(C(=O)[O-])CCOCC1 ZINC001601260966 1017831394 /nfs/dbraw/zinc/83/13/94/1017831394.db2.gz HSGUKRZJYAZDEZ-UHFFFAOYSA-N -1 0 314.338 -0.625 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)CCCCc1cn[nH]n1 ZINC001601264424 1017831770 /nfs/dbraw/zinc/83/17/70/1017831770.db2.gz PJJOWGDZRLUPTH-JTQLQIEISA-N -1 0 312.326 -0.150 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C1 ZINC001601277141 1017832216 /nfs/dbraw/zinc/83/22/16/1017832216.db2.gz XUJHZVVDPQTUEJ-UWVGGRQHSA-N -1 0 324.333 -0.790 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NC[C@@H]1CN2CCN1CC2 ZINC001601284302 1017832658 /nfs/dbraw/zinc/83/26/58/1017832658.db2.gz LNESHTLWKZTFSP-YNEHKIRRSA-N -1 0 311.382 -0.628 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCc1cc(=O)[nH]c(=O)[nH]1 ZINC001601284738 1017832676 /nfs/dbraw/zinc/83/26/76/1017832676.db2.gz XZROBIYRHWNLLT-IONNQARKSA-N -1 0 311.294 -0.226 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNC(=O)CCc1cncnc1 ZINC001601293086 1017832828 /nfs/dbraw/zinc/83/28/28/1017832828.db2.gz BJUZUHFFUAHXBY-WDEREUQCSA-N -1 0 306.322 -0.638 20 0 DBADRM O=C([O-])c1cc(=O)n(CC(=O)CCNC(=O)C(F)(F)F)cn1 ZINC001601278453 1017833110 /nfs/dbraw/zinc/83/31/10/1017833110.db2.gz PPKUSLXZTRBJDS-UHFFFAOYSA-N -1 0 321.211 -0.421 20 0 DBADRM O=C([O-])c1c(OCCO)n[nH]c1NC(=O)CCc1ccncn1 ZINC001601292801 1017833305 /nfs/dbraw/zinc/83/33/05/1017833305.db2.gz PFEOLQULQRNIRJ-UHFFFAOYSA-N -1 0 321.293 -0.160 20 0 DBADRM O=C([O-])[C@H](CC(F)F)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001601299932 1017833801 /nfs/dbraw/zinc/83/38/01/1017833801.db2.gz JAYQRVOIVJHPOI-LURJTMIESA-N -1 0 305.237 -0.849 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)NOCCN1CCCC1=O ZINC001601296652 1017833817 /nfs/dbraw/zinc/83/38/17/1017833817.db2.gz JIIDOXVIVBDYFU-UHFFFAOYSA-N -1 0 311.294 -0.024 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)CCc2ccon2)C1 ZINC001601293287 1017834113 /nfs/dbraw/zinc/83/41/13/1017834113.db2.gz ZXCQTEYPZARFLV-VXGBXAGGSA-N -1 0 321.333 -0.098 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)CCc1nc(-c2ncccn2)no1 ZINC001601294390 1017834120 /nfs/dbraw/zinc/83/41/20/1017834120.db2.gz JSSKICXFYVHRNL-SSDOTTSWSA-N -1 0 309.257 -0.002 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)CCn1ccccc1=O ZINC001601299573 1017834261 /nfs/dbraw/zinc/83/42/61/1017834261.db2.gz MRSNACODHUGGES-SNVBAGLBSA-N -1 0 305.294 -0.901 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)CCc2nc3cccnc3[nH]2)C1 ZINC001601295724 1017834531 /nfs/dbraw/zinc/83/45/31/1017834531.db2.gz YDJHMSLFJRJPNJ-CQSZACIVSA-N -1 0 304.306 -0.062 20 0 DBADRM O=C([O-])[C@]1(O)CCN(CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC001601303567 1017834830 /nfs/dbraw/zinc/83/48/30/1017834830.db2.gz ANUMTWLZVLRIRS-HNNXBMFYSA-N -1 0 322.317 -0.082 20 0 DBADRM O=C([O-])[C@]1(O)CCN(CC(=O)NC(=O)NC2CCCCC2)C1 ZINC001601304018 1017834952 /nfs/dbraw/zinc/83/49/52/1017834952.db2.gz LEBKNPUFTXQSSE-AWEZNQCLSA-N -1 0 313.354 -0.334 20 0 DBADRM O=C(CN1C(=O)Cc2ccccc21)N[C@]1(C(=O)[O-])CCOC1 ZINC001601301967 1017835175 /nfs/dbraw/zinc/83/51/75/1017835175.db2.gz SVAGKPJGDMYVQA-OAHLLOKOSA-N -1 0 304.302 -0.064 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O)NCC1CC1 ZINC001601303284 1017835348 /nfs/dbraw/zinc/83/53/48/1017835348.db2.gz QFPGIIOZXJSCGY-ZJUUUORDSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN1CC(=O)NC(=O)Nc1ccccc1 ZINC001601304377 1017835367 /nfs/dbraw/zinc/83/53/67/1017835367.db2.gz AEXMLSIOAMDGEE-WDEREUQCSA-N -1 0 307.306 -0.146 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CC[C@H](O)[C@H](CO)C2)c1 ZINC001601303733 1017835384 /nfs/dbraw/zinc/83/53/84/1017835384.db2.gz DQFKARLTNBVNKV-AAEUAGOBSA-N -1 0 308.334 -0.002 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2C[C@H](CO)[C@H](CCO)C2)n1 ZINC001601305775 1017835394 /nfs/dbraw/zinc/83/53/94/1017835394.db2.gz NEAACEJFYQIOJF-GHMZBOCLSA-N -1 0 323.349 -0.359 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CN1CC[C@H](c2ccccc2)NC1=O ZINC001601305194 1017835505 /nfs/dbraw/zinc/83/55/05/1017835505.db2.gz ZOFOIUKMNVOBDU-VXGBXAGGSA-N -1 0 321.333 -0.295 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NC[C@]2(O)CCSC2)C1=O ZINC001601308252 1017835769 /nfs/dbraw/zinc/83/57/69/1017835769.db2.gz KKGMQJQWWHRJLP-NOZJJQNGSA-N -1 0 316.379 -0.706 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(CC(=O)NCC(=O)c2ccccc2)C1 ZINC001601307088 1017836079 /nfs/dbraw/zinc/83/60/79/1017836079.db2.gz VSSNVDHDPADGLA-STQMWFEESA-N -1 0 320.345 -0.247 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(CC(=O)NCC(=O)c2ccccc2)C1 ZINC001601307085 1017836105 /nfs/dbraw/zinc/83/61/05/1017836105.db2.gz VSSNVDHDPADGLA-CHWSQXEVSA-N -1 0 320.345 -0.247 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(CC(=O)NCC2CCC2)C1 ZINC001601306575 1017836315 /nfs/dbraw/zinc/83/63/15/1017836315.db2.gz SDJSRCTWNOMLSK-STQMWFEESA-N -1 0 323.393 -0.329 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(CC(=O)Nc3ccon3)C2)nn1 ZINC001601307629 1017836555 /nfs/dbraw/zinc/83/65/55/1017836555.db2.gz CWUIWXPXLBQBSD-MRVPVSSYSA-N -1 0 306.282 -0.150 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)CN1CCCCC(=O)C1=O ZINC001601312850 1017836922 /nfs/dbraw/zinc/83/69/22/1017836922.db2.gz AAXBNFRYSZDHLT-JTQLQIEISA-N -1 0 322.321 -0.966 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001601315463 1017837175 /nfs/dbraw/zinc/83/71/75/1017837175.db2.gz JRBWKZSYYFRQJC-SNVBAGLBSA-N -1 0 302.352 -0.298 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2ccnc3ccnn32)C1=O ZINC001601313162 1017837216 /nfs/dbraw/zinc/83/72/16/1017837216.db2.gz UMULWSKTYYEVBJ-SECBINFHSA-N -1 0 317.305 -0.009 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2ccc(=O)[nH]n2)C1=O ZINC001601310378 1017837274 /nfs/dbraw/zinc/83/72/74/1017837274.db2.gz LSRDKGDKMKTOPB-SECBINFHSA-N -1 0 308.294 -0.878 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1O)NC(=O)CN1CCCNC1=O ZINC001601315499 1017837287 /nfs/dbraw/zinc/83/72/87/1017837287.db2.gz LRVVAJZFLCTXNH-NSHDSACASA-N -1 0 321.333 -0.081 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NCCNc2ncccn2)C1=O ZINC001601310922 1017837757 /nfs/dbraw/zinc/83/77/57/1017837757.db2.gz RJQUMBUKYSBSJN-JTQLQIEISA-N -1 0 321.337 -0.672 20 0 DBADRM O=C([O-])c1cnc(N2CCN(CC(=O)NC3CC3)CC2)nc1 ZINC001601316437 1017838475 /nfs/dbraw/zinc/83/84/75/1017838475.db2.gz KDQRHNQBMWVNER-UHFFFAOYSA-N -1 0 305.338 -0.425 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CN1CCOCC1=O)c1ccccc1 ZINC001601317139 1017838121 /nfs/dbraw/zinc/83/81/21/1017838121.db2.gz XIRRAMYZAVWGAR-LBPRGKRZSA-N -1 0 306.318 -0.170 20 0 DBADRM O=C(CN1CCOCC1)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001601316612 1017838294 /nfs/dbraw/zinc/83/82/94/1017838294.db2.gz FPVDLERFPXRSNA-MQYJIDSJSA-N -1 0 312.366 -0.153 20 0 DBADRM O=C([O-])c1cnc(NCCCNC(=O)CN2CCOCC2)nc1 ZINC001601316817 1017838491 /nfs/dbraw/zinc/83/84/91/1017838491.db2.gz JOEBCXCFSLYETC-UHFFFAOYSA-N -1 0 323.353 -0.575 20 0 DBADRM O=C([O-])c1ncoc1CNC(=O)CN1CCCCS1(=O)=O ZINC001601315681 1017838516 /nfs/dbraw/zinc/83/85/16/1017838516.db2.gz VJEAQCYJBRNIHL-UHFFFAOYSA-N -1 0 317.323 -0.585 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CNC(=O)c1c(F)cccc1Cl ZINC001601321357 1017839158 /nfs/dbraw/zinc/83/91/58/1017839158.db2.gz UJHAEMPGGIRCTG-QMMMGPOBSA-N -1 0 318.688 -0.229 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CNC(=O)c1ccc(F)cc1F ZINC001601321908 1017839352 /nfs/dbraw/zinc/83/93/52/1017839352.db2.gz DKTSCHIBGGAYDK-SECBINFHSA-N -1 0 302.233 -0.744 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CNC(=O)NCc1ccc(F)cc1 ZINC001601320799 1017839371 /nfs/dbraw/zinc/83/93/71/1017839371.db2.gz HNZRYGSAHWNZNO-SNVBAGLBSA-N -1 0 313.285 -0.813 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NCC(=O)NCC(F)F ZINC001601321460 1017839455 /nfs/dbraw/zinc/83/94/55/1017839455.db2.gz AJTUFOUQCJXAPR-UHFFFAOYSA-N -1 0 321.236 -0.613 20 0 DBADRM O=C(CNC(=O)c1ccc(F)cc1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001601327781 1017840612 /nfs/dbraw/zinc/84/06/12/1017840612.db2.gz UQPKZMYYCFPINT-WJONMLJTSA-N -1 0 310.281 -0.350 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CCNC(=O)CO)c1ccc(F)cc1 ZINC001601330127 1017841006 /nfs/dbraw/zinc/84/10/06/1017841006.db2.gz MPIJCLAKSGJDCH-NSHDSACASA-N -1 0 312.297 -0.391 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N[C@H](CO)Cc1c[nH]cn1 ZINC001601340139 1017841174 /nfs/dbraw/zinc/84/11/74/1017841174.db2.gz NBKASRBENLIVGN-VIFPVBQESA-N -1 0 324.293 -0.668 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)COc1ccc(Br)cn1 ZINC001601341555 1017841459 /nfs/dbraw/zinc/84/14/59/1017841459.db2.gz OOVOPXIXLQPWPM-ZETCQYMHSA-N -1 0 319.111 -0.215 20 0 DBADRM O=C([O-])c1cccc(CCNC(=O)C[C@@H]2NC(=O)NC2=O)c1 ZINC001601352978 1017841731 /nfs/dbraw/zinc/84/17/31/1017841731.db2.gz WMVROIHHDQGCCF-JTQLQIEISA-N -1 0 305.290 -0.358 20 0 DBADRM O=C(COCc1ocnc1C(=O)[O-])NCCCc1nnc[nH]1 ZINC001601341170 1017842037 /nfs/dbraw/zinc/84/20/37/1017842037.db2.gz UORYZYSKACLUDV-UHFFFAOYSA-N -1 0 309.282 -0.244 20 0 DBADRM O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001601352309 1017842073 /nfs/dbraw/zinc/84/20/73/1017842073.db2.gz AATUPYNWSWZDKU-VHSXEESVSA-N -1 0 323.280 -0.464 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NCC(=O)N2CCOCC2)cc1 ZINC001601355238 1017842155 /nfs/dbraw/zinc/84/21/55/1017842155.db2.gz IGWINWSUEDEZTA-UHFFFAOYSA-N -1 0 306.318 -0.098 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNC(=O)Cc1ccc(F)cn1 ZINC001601361957 1017842240 /nfs/dbraw/zinc/84/22/40/1017842240.db2.gz QAVHPHAQBSFKLV-MNOVXSKESA-N -1 0 309.297 -0.284 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCCNC(=O)Cc1cccnc1 ZINC001601369784 1017842534 /nfs/dbraw/zinc/84/25/34/1017842534.db2.gz JHZRLHBGZRSKLJ-RYUDHWBXSA-N -1 0 305.334 -0.033 20 0 DBADRM O=C(Cc1cc[nH]n1)NCCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC001601371083 1017842556 /nfs/dbraw/zinc/84/25/56/1017842556.db2.gz SHQXFIZNBQDHQB-NEPJUHHUSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)Cc2c[nH]cn2)CC1 ZINC001601371873 1017842889 /nfs/dbraw/zinc/84/28/89/1017842889.db2.gz CQPODZPVVBFCHU-VXGBXAGGSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])c1cccc(CC(=O)NN2CCS(=O)(=O)CC2)c1 ZINC001601364828 1017842913 /nfs/dbraw/zinc/84/29/13/1017842913.db2.gz NNTUKZKXFWESEC-UHFFFAOYSA-N -1 0 312.347 -0.311 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)CNC(=O)Cc2ccccc2)C1 ZINC001601368057 1017842924 /nfs/dbraw/zinc/84/29/24/1017842924.db2.gz USPKOYUDEJBLMT-HNNXBMFYSA-N -1 0 306.318 -0.607 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)Cc1ccc[nH]1 ZINC001601363076 1017843150 /nfs/dbraw/zinc/84/31/50/1017843150.db2.gz ONCHWVZNUVMZRL-NWDGAFQWSA-N -1 0 323.349 -0.785 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2ccon2)C1 ZINC001601371579 1017843288 /nfs/dbraw/zinc/84/32/88/1017843288.db2.gz TVYQSBCJJFGRGH-IELRGYKMSA-N -1 0 321.333 -0.051 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc[nH]1 ZINC001601362927 1017843294 /nfs/dbraw/zinc/84/32/94/1017843294.db2.gz IAMZMQLALUKDBJ-SSKLVLDBSA-N -1 0 317.345 -0.149 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N[C@H](CCO)C2CCOCC2)c1 ZINC001601380304 1017843613 /nfs/dbraw/zinc/84/36/13/1017843613.db2.gz ACFDBTCZTDNRCU-GFCCVEGCSA-N -1 0 311.338 -0.125 20 0 DBADRM O=C([O-])c1cnc(N[C@@H]2C[C@@H](NC(=O)Cc3nc[nH]n3)C2)nc1 ZINC001601376260 1017843788 /nfs/dbraw/zinc/84/37/88/1017843788.db2.gz OXZQJJGDWGAOQR-KYZUINATSA-N -1 0 317.309 -0.405 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001601376216 1017844097 /nfs/dbraw/zinc/84/40/97/1017844097.db2.gz NFLPGHGNEPVRNU-RGOKHQFPSA-N -1 0 321.337 -0.921 20 0 DBADRM O=C([O-])[C@H](CNC(=O)Cc1nc2ncccn2n1)[C@@H]1CCOC1 ZINC001601375982 1017844335 /nfs/dbraw/zinc/84/43/35/1017844335.db2.gz HTXIKSXBKNDCLN-NXEZZACHSA-N -1 0 319.321 -0.480 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)Cc2ncc[nH]2)CCC1 ZINC001601376288 1017844366 /nfs/dbraw/zinc/84/43/66/1017844366.db2.gz PWHZLLLZUYXLMV-NXEZZACHSA-N -1 0 320.349 -0.172 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NCC2N=NC(=O)N2C2CC2)c1 ZINC001601380339 1017844414 /nfs/dbraw/zinc/84/44/14/1017844414.db2.gz SNRZIKBWVLKWEH-UHFFFAOYSA-N -1 0 306.282 -0.470 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC001601378759 1017844554 /nfs/dbraw/zinc/84/45/54/1017844554.db2.gz XKRORHBLSPPKBR-NSHDSACASA-N -1 0 324.337 -0.883 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)Cc1nnc(C2CC2)[nH]1 ZINC001601375178 1017844560 /nfs/dbraw/zinc/84/45/60/1017844560.db2.gz FXDCNTRUPYJASE-MRVPVSSYSA-N -1 0 305.298 -0.914 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NC[C@@H]2CCCS(=O)(=O)C2)n1 ZINC001601384001 1017844980 /nfs/dbraw/zinc/84/49/80/1017844980.db2.gz AARMKBOXYOVTAZ-VIFPVBQESA-N -1 0 315.351 -0.478 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001601383896 1017845241 /nfs/dbraw/zinc/84/52/41/1017845241.db2.gz ZPVMOAORYMOXIR-SNVBAGLBSA-N -1 0 324.337 -0.122 20 0 DBADRM O=C([O-])[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccn1 ZINC001601384852 1017845289 /nfs/dbraw/zinc/84/52/89/1017845289.db2.gz WEQPIRHSJROAKS-LLVKDONJSA-N -1 0 304.262 -0.714 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)Cn2cccn2)CCC1 ZINC001601389338 1017846042 /nfs/dbraw/zinc/84/60/42/1017846042.db2.gz KXIZSPQJDDHGAD-WDEREUQCSA-N -1 0 320.349 -0.241 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCC[C@H](O)C(F)F)c1=O ZINC001601388750 1017846157 /nfs/dbraw/zinc/84/61/57/1017846157.db2.gz RVTSHCKSNXCUQY-QMMMGPOBSA-N -1 0 304.249 -0.321 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCC[C@]2(O)CCCOC2)c1=O ZINC001601388860 1017846211 /nfs/dbraw/zinc/84/62/11/1017846211.db2.gz UCIYFPISZBTMHX-OAHLLOKOSA-N -1 0 324.333 -0.406 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)Cn3cncn3)C2)nc1 ZINC001601389243 1017846324 /nfs/dbraw/zinc/84/63/24/1017846324.db2.gz DYSQWAGRPGUYGE-SNVBAGLBSA-N -1 0 317.309 -0.839 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001601389656 1017846651 /nfs/dbraw/zinc/84/66/51/1017846651.db2.gz XFPKAHBESBLKLW-GWOFURMSSA-N -1 0 306.322 -0.633 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NC[C@H](CO)[C@H]2CCOC2)c1=O ZINC001601388763 1017846752 /nfs/dbraw/zinc/84/67/52/1017846752.db2.gz RZCCCVUTPBJAKL-WDEREUQCSA-N -1 0 324.333 -0.692 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001601391832 1017847340 /nfs/dbraw/zinc/84/73/40/1017847340.db2.gz ZIJKQGSTXITEKJ-QMMMGPOBSA-N -1 0 300.290 -0.690 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)Cn2nnc3ccccc32)CC1 ZINC001601392425 1017846839 /nfs/dbraw/zinc/84/68/39/1017846839.db2.gz OXEXXAMRTKMVTB-UHFFFAOYSA-N -1 0 304.306 -0.131 20 0 DBADRM O=C(Cn1nnc2c1CCCC2)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001601392208 1017846895 /nfs/dbraw/zinc/84/68/95/1017846895.db2.gz HWGRPMVNBZFQII-AWEZNQCLSA-N -1 0 308.338 -0.236 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 ZINC001601390504 1017846919 /nfs/dbraw/zinc/84/69/19/1017846919.db2.gz OSXUNBYMTNLBHS-ZETCQYMHSA-N -1 0 321.255 -0.048 20 0 DBADRM O=C([O-])c1nc(Cl)n(CC(=O)N[C@@H]2CCSC2=O)n1 ZINC001601391342 1017847315 /nfs/dbraw/zinc/84/73/15/1017847315.db2.gz WTTRFLZJFJYHBQ-SCSAIBSYSA-N -1 0 304.715 -0.222 20 0 DBADRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)C1CCS(=O)(=O)CC1 ZINC001601408782 1017847520 /nfs/dbraw/zinc/84/75/20/1017847520.db2.gz KYDJHKPMGOQBJN-GHMZBOCLSA-N -1 0 319.379 -0.050 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC001601420000 1017847725 /nfs/dbraw/zinc/84/77/25/1017847725.db2.gz KAZYUHARMOUWCE-SECBINFHSA-N -1 0 319.273 -0.019 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cccc2c1OCCO2 ZINC001601428008 1017847784 /nfs/dbraw/zinc/84/77/84/1017847784.db2.gz GFTRTWYLVBHGTH-SNVBAGLBSA-N -1 0 318.289 -0.068 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001601420511 1017847828 /nfs/dbraw/zinc/84/78/28/1017847828.db2.gz VCZIRMSTJYGYMA-SNVBAGLBSA-N -1 0 321.264 -0.453 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001601427411 1017847872 /nfs/dbraw/zinc/84/78/72/1017847872.db2.gz BUEZFDLJQVNZTF-UWVGGRQHSA-N -1 0 304.310 -0.693 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1cncnc1C1CC1 ZINC001601429211 1017848005 /nfs/dbraw/zinc/84/80/05/1017848005.db2.gz RDXQZVHZSCSTLI-JTQLQIEISA-N -1 0 302.294 -0.171 20 0 DBADRM O=C([O-])C1(NC(=O)c2cc3n(n2)CCC[C@H]3O)CC(CO)C1 ZINC001601428112 1017848096 /nfs/dbraw/zinc/84/80/96/1017848096.db2.gz SFNGVNMMYFSUNT-IYXOAMITSA-N -1 0 309.322 -0.334 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1cccc2c1OCCO2 ZINC001601428003 1017848245 /nfs/dbraw/zinc/84/82/45/1017848245.db2.gz GFTRTWYLVBHGTH-JTQLQIEISA-N -1 0 318.289 -0.068 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001601428644 1017848578 /nfs/dbraw/zinc/84/85/78/1017848578.db2.gz MECGYXWMWWVZFF-KWQFWETISA-N -1 0 304.310 -0.624 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001601426614 1017848618 /nfs/dbraw/zinc/84/86/18/1017848618.db2.gz ZNXSPYDNZFVJNB-MWLCHTKSSA-N -1 0 306.322 -0.537 20 0 DBADRM O=C([O-])c1cncnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001601433740 1017849179 /nfs/dbraw/zinc/84/91/79/1017849179.db2.gz MSDGXUSJKVAEQT-UHFFFAOYSA-N -1 0 319.321 -0.898 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@@H]2C(=O)NCC23CCOCC3)no1 ZINC001601434598 1017849332 /nfs/dbraw/zinc/84/93/32/1017849332.db2.gz MRPGWRMAYUNWDQ-SECBINFHSA-N -1 0 309.278 -0.602 20 0 DBADRM O=C([O-])c1ccc(N2CCN(C(=O)C(=O)NC3CC3)CC2)nn1 ZINC001601434392 1017849799 /nfs/dbraw/zinc/84/97/99/1017849799.db2.gz YMBSPEMWQORTSC-UHFFFAOYSA-N -1 0 319.321 -0.898 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2cn[nH]c2)CC1 ZINC001601441782 1017850193 /nfs/dbraw/zinc/85/01/93/1017850193.db2.gz XCQYQUUQECAKCI-MNOVXSKESA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)N[C@@H]2CCSC2)CC1 ZINC001601443277 1017850237 /nfs/dbraw/zinc/85/02/37/1017850237.db2.gz GKKKTQWCTSPLMF-NXEZZACHSA-N -1 0 316.379 -0.708 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCOC1 ZINC001601452511 1017851718 /nfs/dbraw/zinc/85/17/18/1017851718.db2.gz OLOTYNBRJWTNRQ-GUBZILKMSA-N -1 0 305.352 -0.725 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC001601447179 1017850532 /nfs/dbraw/zinc/85/05/32/1017850532.db2.gz VVIZLBIVKCQYQS-JQWIXIFHSA-N -1 0 324.308 -0.151 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)CNC(=O)c2cccnc2)C1 ZINC001601446409 1017850648 /nfs/dbraw/zinc/85/06/48/1017850648.db2.gz MOPDGBZWUCSNSW-WDEREUQCSA-N -1 0 307.306 -0.895 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CNC(=O)c3ncccc3O)C[C@@H]21 ZINC001601448287 1017850832 /nfs/dbraw/zinc/85/08/32/1017850832.db2.gz FTVCNGMKYNONEA-VROVMSAKSA-N -1 0 305.290 -0.694 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC001601449099 1017851060 /nfs/dbraw/zinc/85/10/60/1017851060.db2.gz UXFPWVSZWJZLBQ-LLVKDONJSA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CCN(c3nccnn3)CC2)CC1 ZINC001601468150 1017851096 /nfs/dbraw/zinc/85/10/96/1017851096.db2.gz BDOXVCTWYFBOIR-UHFFFAOYSA-N -1 0 306.326 -0.432 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCC(F)(F)CO)n1 ZINC001601463831 1017851339 /nfs/dbraw/zinc/85/13/39/1017851339.db2.gz SUYQQHHVFMHEBU-UHFFFAOYSA-N -1 0 303.221 -0.538 20 0 DBADRM O=C([O-])[C@H](CNC(=O)N[C@@H]1COC[C@H]1O)Cc1ccccc1 ZINC001601466263 1017851390 /nfs/dbraw/zinc/85/13/90/1017851390.db2.gz ZXJOJUWTFOFITO-YNEHKIRRSA-N -1 0 308.334 -0.011 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)c1cnn(C[C@@H](O)CO)c1)CC1CC1 ZINC001601458718 1017851401 /nfs/dbraw/zinc/85/14/01/1017851401.db2.gz NSILCYONRHAKFZ-ZYHUDNBSSA-N -1 0 311.338 -0.533 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)c1nc2n(n1)CCCN2)c1ccccc1 ZINC001601455721 1017851407 /nfs/dbraw/zinc/85/14/07/1017851407.db2.gz RZHFXTSMUOIJLA-NSHDSACASA-N -1 0 315.333 -0.051 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2cnn3cc[nH]c23)C1 ZINC001601448688 1017851506 /nfs/dbraw/zinc/85/15/06/1017851506.db2.gz RRCTUVBFSSTNMH-BDAKNGLRSA-N -1 0 317.305 -0.676 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)C2=COCCC2)n1 ZINC001601466699 1017851571 /nfs/dbraw/zinc/85/15/71/1017851571.db2.gz OUUDYCOXXHXJJS-SNVBAGLBSA-N -1 0 322.321 -0.820 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)NCC2(C3CC3)CC2)CC1 ZINC001601474595 1017852313 /nfs/dbraw/zinc/85/23/13/1017852313.db2.gz CUGUDHZMSKZFPG-LBPRGKRZSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])C1(CNC(=O)C2CCS(=O)(=O)CC2)CCOCC1 ZINC001601472568 1017852624 /nfs/dbraw/zinc/85/26/24/1017852624.db2.gz IYRLATMZQFIRDX-UHFFFAOYSA-N -1 0 319.379 -0.191 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NC[C@H](n2cncn2)C(F)(F)F)C1 ZINC001601468317 1017852642 /nfs/dbraw/zinc/85/26/42/1017852642.db2.gz KYSWQCRWIMYRQV-LURJTMIESA-N -1 0 323.231 -0.778 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001601475124 1017852732 /nfs/dbraw/zinc/85/27/32/1017852732.db2.gz DFZBLBHOSAFACF-OPQQBVKSSA-N -1 0 319.379 -0.457 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001601475123 1017852756 /nfs/dbraw/zinc/85/27/56/1017852756.db2.gz DFZBLBHOSAFACF-CWSCBRNRSA-N -1 0 319.379 -0.457 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC001601475736 1017852826 /nfs/dbraw/zinc/85/28/26/1017852826.db2.gz HZOZRKADXFQQJL-NWDGAFQWSA-N -1 0 312.366 -0.295 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC=C(CNC(=O)c2cn[nH]n2)CC1 ZINC001601478223 1017853189 /nfs/dbraw/zinc/85/31/89/1017853189.db2.gz QNHPFSGHYYHUQK-UWVGGRQHSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001601481523 1017853268 /nfs/dbraw/zinc/85/32/68/1017853268.db2.gz SXYGTVCTLIXTIJ-UJPOAAIJSA-N -1 0 324.377 -0.167 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001601479053 1017853464 /nfs/dbraw/zinc/85/34/64/1017853464.db2.gz OKMLQHYHIYJOAA-XKNYDFJKSA-N -1 0 302.302 -0.401 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@@H]1CCC12CCOCC2 ZINC001601481562 1017853616 /nfs/dbraw/zinc/85/36/16/1017853616.db2.gz VAPJCHJAMBZKGR-UWVGGRQHSA-N -1 0 316.329 -0.152 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCSC1 ZINC001601486804 1017853641 /nfs/dbraw/zinc/85/36/41/1017853641.db2.gz SVDDNSNJMTZQGN-IVZWLZJFSA-N -1 0 316.379 -0.538 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC=C(CNC(=O)c2cn[nH]n2)CC1 ZINC001601478225 1017853666 /nfs/dbraw/zinc/85/36/66/1017853666.db2.gz QNHPFSGHYYHUQK-ZJUUUORDSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001601485683 1017853728 /nfs/dbraw/zinc/85/37/28/1017853728.db2.gz JSXWXEDUHUTYMD-SJHCENCUSA-N -1 0 324.377 -0.167 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCC2CC3(C2)OCCO3)C1 ZINC001601479064 1017853736 /nfs/dbraw/zinc/85/37/36/1017853736.db2.gz OPDBBEXRIPUWDD-JTQLQIEISA-N -1 0 312.322 -0.811 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC001601481185 1017853957 /nfs/dbraw/zinc/85/39/57/1017853957.db2.gz YYIMMCKUQKLEFK-UTLUCORTSA-N -1 0 302.302 -0.401 20 0 DBADRM O=C(NC[C@H]1CC(=O)N(C2CC2)C1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001601478948 1017854128 /nfs/dbraw/zinc/85/41/28/1017854128.db2.gz FNEKLEXOZNRJOD-OPRDCNLKSA-N -1 0 323.349 -0.907 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC=CCNC(=O)c1ccc(=O)[nH]n1 ZINC001601490482 1017855052 /nfs/dbraw/zinc/85/50/52/1017855052.db2.gz CFFCQJNDNSRQCT-NFXAZMQOSA-N -1 0 320.305 -0.695 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC/C=C\CO)c2ccccc2O1 ZINC001601490720 1017855078 /nfs/dbraw/zinc/85/50/78/1017855078.db2.gz GWFJGYVFMKDVKH-VSQXVHSFSA-N -1 0 320.301 -0.470 20 0 DBADRM O=C([O-])c1ccc(NC(=O)NCCN2C(=O)CNC2=O)cn1 ZINC001601501539 1017855413 /nfs/dbraw/zinc/85/54/13/1017855413.db2.gz APEYNIIRIKCAIJ-UHFFFAOYSA-N -1 0 307.266 -0.547 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)C1=CCCC1 ZINC001601501608 1017855532 /nfs/dbraw/zinc/85/55/32/1017855532.db2.gz FACRUVBMZTZUQO-NEPJUHHUSA-N -1 0 310.350 -0.246 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CCNC(=O)c1csnn1)C1CC1 ZINC001601501571 1017855551 /nfs/dbraw/zinc/85/55/51/1017855551.db2.gz BWFMKENJHVUAMA-DTWKUNHWSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)CCCNC(=O)c2cccnc2)C1 ZINC001601495356 1017855605 /nfs/dbraw/zinc/85/56/05/1017855605.db2.gz ZEEWYCRYNXPZEV-HNNXBMFYSA-N -1 0 321.333 -0.360 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCCCOC[C@@H]2CCCO2)C1 ZINC001601499638 1017855806 /nfs/dbraw/zinc/85/58/06/1017855806.db2.gz CSGMKTQCEOVSND-JTQLQIEISA-N -1 0 302.327 -0.587 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCCNC(=O)c1csc(=O)[nH]1 ZINC001601498802 1017855819 /nfs/dbraw/zinc/85/58/19/1017855819.db2.gz LMXYBWGFYXYDEY-NKWVEPMBSA-N -1 0 313.335 -0.195 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)NCCCN1C(=O)CNC1=O)C2 ZINC001601497927 1017855988 /nfs/dbraw/zinc/85/59/88/1017855988.db2.gz HCHRBZVQFXLTKT-ITMYJUKJSA-N -1 0 324.337 -0.519 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)CCCNC(=O)C2CC2)CC1 ZINC001601494968 1017856068 /nfs/dbraw/zinc/85/60/68/1017856068.db2.gz PLWMZMQRUSDZDG-CYBMUJFWSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])c1cccc(NC(=O)NCCCN2C(=O)CNC2=O)n1 ZINC001601498294 1017856199 /nfs/dbraw/zinc/85/61/99/1017856199.db2.gz ZLRNNGHXTBSXMQ-UHFFFAOYSA-N -1 0 321.293 -0.157 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)NCCO[C@H]2CCOC2)CC1 ZINC001601503028 1017856504 /nfs/dbraw/zinc/85/65/04/1017856504.db2.gz FPALPQQLAXGXKM-NSHDSACASA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNC(=O)c1cn2ccccc2n1 ZINC001601504042 1017856728 /nfs/dbraw/zinc/85/67/28/1017856728.db2.gz RDDNAWIBBJALRG-UWVGGRQHSA-N -1 0 316.317 -0.099 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1cn2ccccc2n1 ZINC001601504043 1017857043 /nfs/dbraw/zinc/85/70/43/1017857043.db2.gz RDDNAWIBBJALRG-VHSXEESVSA-N -1 0 316.317 -0.099 20 0 DBADRM O=C([O-])[C@@H]1CN(c2ccc(C(=O)NCCO)nn2)C[C@H]1C1CC1 ZINC001601504912 1017857493 /nfs/dbraw/zinc/85/74/93/1017857493.db2.gz VZMIEDOKWIKSFT-WDEREUQCSA-N -1 0 320.349 -0.254 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@H]2COC[C@H]2C2CC2)nn1 ZINC001601517826 1017857817 /nfs/dbraw/zinc/85/78/17/1017857817.db2.gz OCTYGXZIKMKMDR-ONGXEEELSA-N -1 0 309.326 -0.300 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)NCCc1nnc[nH]1 ZINC001601516416 1017857870 /nfs/dbraw/zinc/85/78/70/1017857870.db2.gz ZADANIMCHWUHEZ-UHFFFAOYSA-N -1 0 309.307 -0.138 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)c1cccc(N2CCNC2=O)c1 ZINC001601509540 1017858164 /nfs/dbraw/zinc/85/81/64/1017858164.db2.gz CQBMUDUOFBILHA-NSHDSACASA-N -1 0 307.306 -0.218 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@@H]2C[C@@H](O)C23CCC3)nn1 ZINC001601517435 1017858318 /nfs/dbraw/zinc/85/83/18/1017858318.db2.gz JSXGVKWAGSMSLC-NXEZZACHSA-N -1 0 309.326 -0.421 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(O)cc2)C1 ZINC001601512115 1017858324 /nfs/dbraw/zinc/85/83/24/1017858324.db2.gz GBMDWKUBYLEBRG-LLVKDONJSA-N -1 0 306.318 -0.016 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NCCOc1ccc(F)cc1 ZINC001601506262 1017858410 /nfs/dbraw/zinc/85/84/10/1017858410.db2.gz JBRRUUNMCVTIHT-JTQLQIEISA-N -1 0 316.260 -0.140 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)NCCn3cncn3)C[C@H]1COCC2 ZINC001601517517 1017858434 /nfs/dbraw/zinc/85/84/34/1017858434.db2.gz BDUANVIMHAFTSV-GXFFZTMASA-N -1 0 309.326 -0.589 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2O)n1 ZINC001601522909 1017858694 /nfs/dbraw/zinc/85/86/94/1017858694.db2.gz MVRSWCJWMJRIHG-SCZZXKLOSA-N -1 0 307.306 -0.005 20 0 DBADRM O=C([O-])c1c(F)cccc1NC(=O)C(=O)NCCn1ncnn1 ZINC001601518676 1017858764 /nfs/dbraw/zinc/85/87/64/1017858764.db2.gz VATQFBAQWHBZCE-UHFFFAOYSA-N -1 0 322.256 -0.735 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCCC2(CCOCC2)C1 ZINC001601520045 1017858860 /nfs/dbraw/zinc/85/88/60/1017858860.db2.gz AEUGNMFWPIHGQF-JTQLQIEISA-N -1 0 316.329 -0.056 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC001601519982 1017859131 /nfs/dbraw/zinc/85/91/31/1017859131.db2.gz LSRCTQIVLQTUAX-JXUBOQSCSA-N -1 0 300.286 -0.767 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC001601520144 1017859217 /nfs/dbraw/zinc/85/92/17/1017859217.db2.gz NIEKFVKTRHDMOL-CVJICSNFSA-N -1 0 324.255 -0.544 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCC(CCCO)CC1 ZINC001601521609 1017859527 /nfs/dbraw/zinc/85/95/27/1017859527.db2.gz ZKUYAQUJBMKYHP-JTQLQIEISA-N -1 0 304.318 -0.464 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001601525113 1017860517 /nfs/dbraw/zinc/86/05/17/1017860517.db2.gz AYQREWSYNDCOTH-RGOKHQFPSA-N -1 0 306.322 -0.245 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1nc2ncc(CCO)cn2n1 ZINC001601529467 1017860988 /nfs/dbraw/zinc/86/09/88/1017860988.db2.gz XXOMXEALJQAHQE-RKDXNWHRSA-N -1 0 305.294 -0.890 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCc2cn[nH]n2)c(F)c1 ZINC001601530695 1017861031 /nfs/dbraw/zinc/86/10/31/1017861031.db2.gz PCXNTJXIQQETMG-UHFFFAOYSA-N -1 0 307.241 -0.103 20 0 DBADRM O=C(NCc1cn2ccsc2n1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601546475 1017861221 /nfs/dbraw/zinc/86/12/21/1017861221.db2.gz JSIXNJJQYGPCDK-OCAPTIKFSA-N -1 0 322.346 -0.009 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)C(=O)N2CC=C[C@H]2CO)s1 ZINC001601535736 1017861329 /nfs/dbraw/zinc/86/13/29/1017861329.db2.gz MJUSMUMTRXBDMW-QMMMGPOBSA-N -1 0 310.331 -0.178 20 0 DBADRM O=C([O-])c1cc(CNC(=O)c2cnn(C[C@@H](O)CO)c2)ccn1 ZINC001601545542 1017861460 /nfs/dbraw/zinc/86/14/60/1017861460.db2.gz RALGJSXBVHIFMJ-LLVKDONJSA-N -1 0 320.305 -0.741 20 0 DBADRM O=C([O-])c1occc1CNC(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001601546793 1017861525 /nfs/dbraw/zinc/86/15/25/1017861525.db2.gz QVVVPNGYYFTRLC-SNVBAGLBSA-N -1 0 309.278 -0.543 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)C(=O)N2CC=C[C@@H]2CO)s1 ZINC001601535735 1017861605 /nfs/dbraw/zinc/86/16/05/1017861605.db2.gz MJUSMUMTRXBDMW-MRVPVSSYSA-N -1 0 310.331 -0.178 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2ccon2)C[C@H]1C1CC1 ZINC001601546150 1017861616 /nfs/dbraw/zinc/86/16/16/1017861616.db2.gz FKHFTHWZILXBTL-WDEREUQCSA-N -1 0 307.306 -0.140 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)C(=O)NCc1ccc(F)cc1 ZINC001601538193 1017861647 /nfs/dbraw/zinc/86/16/47/1017861647.db2.gz PXKKWFFLPJWXER-NEPJUHHUSA-N -1 0 324.308 -0.122 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)NCc2ccccc2)CC1 ZINC001601542161 1017861667 /nfs/dbraw/zinc/86/16/67/1017861667.db2.gz CSWYYVYBCQSLSE-CYBMUJFWSA-N -1 0 320.345 -0.013 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)c2nnc[nH]2)CC1 ZINC001601571001 1017862005 /nfs/dbraw/zinc/86/20/05/1017862005.db2.gz UTNRGPISKIKGNM-AATLWQCWSA-N -1 0 321.337 -0.317 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)c1noc2c1COCC2 ZINC001601568225 1017862024 /nfs/dbraw/zinc/86/20/24/1017862024.db2.gz VFHVXYAKTJRXFX-SECBINFHSA-N -1 0 306.278 -0.104 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001601568505 1017862101 /nfs/dbraw/zinc/86/21/01/1017862101.db2.gz VMMSXFYPXPTJJN-WCBMZHEXSA-N -1 0 304.310 -0.240 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ncccn2)C1 ZINC001601573892 1017862350 /nfs/dbraw/zinc/86/23/50/1017862350.db2.gz NNBLKXHRYSLLGI-UTINFBMNSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)C1 ZINC001601570448 1017862448 /nfs/dbraw/zinc/86/24/48/1017862448.db2.gz ZEFSKYDVWGBPPR-HRDYMLBCSA-N -1 0 320.292 -0.416 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC001601569573 1017862742 /nfs/dbraw/zinc/86/27/42/1017862742.db2.gz GDLXQUYCXAEFKJ-ACLDMZEESA-N -1 0 324.255 -0.245 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)C1 ZINC001601570348 1017862853 /nfs/dbraw/zinc/86/28/53/1017862853.db2.gz MXPVKQGIGQOZDR-HRDYMLBCSA-N -1 0 320.292 -0.416 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnco1 ZINC001601579477 1017863532 /nfs/dbraw/zinc/86/35/32/1017863532.db2.gz WQLGJWAHTQHNJD-HTFKAIDBSA-N -1 0 305.290 -0.418 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncn1 ZINC001601579489 1017863748 /nfs/dbraw/zinc/86/37/48/1017863748.db2.gz XCQWTZTZHINDFB-OMHSBUABSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])c1nc[nH]c1NC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001601580163 1017863841 /nfs/dbraw/zinc/86/38/41/1017863841.db2.gz YSOGVSQUMWDWBK-SSDOTTSWSA-N -1 0 306.282 -0.012 20 0 DBADRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)c1 ZINC001601586546 1017863994 /nfs/dbraw/zinc/86/39/94/1017863994.db2.gz QQNPRRMZQVZIHP-UWVGGRQHSA-N -1 0 312.253 -0.974 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2ccnnc2)C1 ZINC001601578251 1017864080 /nfs/dbraw/zinc/86/40/80/1017864080.db2.gz WACBSODADDGUPN-HKWIRBFKSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001601579087 1017864203 /nfs/dbraw/zinc/86/42/03/1017864203.db2.gz UEKUQGINUKREFZ-UEEVHHNXSA-N -1 0 316.313 -0.009 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)C(=O)N3CCC[C@@H]3CCO)[C@@H]2C1 ZINC001601578909 1017864342 /nfs/dbraw/zinc/86/43/42/1017864342.db2.gz YVWRLFCOILMJMC-VEGXAWMVSA-N -1 0 324.377 -0.025 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@@H]1CC(c2ccccn2)=NO1 ZINC001601577930 1017864385 /nfs/dbraw/zinc/86/43/85/1017864385.db2.gz JAFUGNNDBCUSHR-YLGCSUCGSA-N -1 0 305.290 -0.331 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)c2ncccc2O)C1 ZINC001601578858 1017864450 /nfs/dbraw/zinc/86/44/50/1017864450.db2.gz YNHXMYKJPCHWNE-ZYUZMQFOSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(F)cn1 ZINC001601606234 1017864614 /nfs/dbraw/zinc/86/46/14/1017864614.db2.gz GUSYYMNGLNFQPK-WPRPVWTQSA-N -1 0 311.269 -0.404 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)Nc2ccc(F)c(F)c2F)C1 ZINC001601607292 1017864635 /nfs/dbraw/zinc/86/46/35/1017864635.db2.gz TYXAWJUDVBFJEA-UHFFFAOYSA-N -1 0 318.207 -0.300 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC001601656312 1017865206 /nfs/dbraw/zinc/86/52/06/1017865206.db2.gz CWJIBIBVMPBQJG-NXEZZACHSA-N -1 0 316.379 -0.360 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001601655520 1017865640 /nfs/dbraw/zinc/86/56/40/1017865640.db2.gz NGUCBOBUGCFFLZ-CSMHCCOUSA-N -1 0 315.244 -0.468 20 0 DBADRM O=C([O-])[C@@H](CNS(=O)(=O)Cc1ccno1)[C@@H]1CCOC1 ZINC001601651255 1017865763 /nfs/dbraw/zinc/86/57/63/1017865763.db2.gz KOWHUMRSPDOYIQ-SCZZXKLOSA-N -1 0 304.324 -0.169 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)Cc2nc3ncccn3n2)CC1 ZINC001601681185 1017866104 /nfs/dbraw/zinc/86/61/04/1017866104.db2.gz OKVMMYWMXKHUOY-LBPRGKRZSA-N -1 0 319.321 -0.649 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001601663254 1017866298 /nfs/dbraw/zinc/86/62/98/1017866298.db2.gz RJECRMHGMDOJSD-PWSUYJOCSA-N -1 0 302.290 -0.149 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)C1(c2cccnc2)CC1 ZINC001601663383 1017866773 /nfs/dbraw/zinc/86/67/73/1017866773.db2.gz SSCXDSXDTDEOEE-LLVKDONJSA-N -1 0 301.306 -0.026 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)COC[C@@H]2CCCO2)CC1 ZINC001601682080 1017866853 /nfs/dbraw/zinc/86/68/53/1017866853.db2.gz HFJIXTAQAPESPB-AAEUAGOBSA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)/C=C\CN2CCOCC2)CC1 ZINC001601683060 1017867593 /nfs/dbraw/zinc/86/75/93/1017867593.db2.gz MXWPPBDIDRHWFX-DDGIKZQJSA-N -1 0 312.366 -0.441 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)CN2CSCC2=O)CC1 ZINC001601682772 1017867600 /nfs/dbraw/zinc/86/76/00/1017867600.db2.gz LRWQRHKILBWKAE-LLVKDONJSA-N -1 0 302.352 -0.797 20 0 DBADRM O=C([O-])[C@@H](O)C1CC[NH+](Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC001601684328 1017867727 /nfs/dbraw/zinc/86/77/27/1017867727.db2.gz JMCFBZISBOWWRU-ZDUSSCGKSA-N -1 0 306.322 -0.320 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)[C@@H]2CCCc3nn[nH]c32)CC1 ZINC001601682582 1017867966 /nfs/dbraw/zinc/86/79/66/1017867966.db2.gz KHTVUZCOHHSTIP-BXKDBHETSA-N -1 0 308.338 -0.091 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)CCCC1 ZINC001601713533 1017868282 /nfs/dbraw/zinc/86/82/82/1017868282.db2.gz UFJWGSUZDIHACO-QWRGUYRKSA-N -1 0 321.395 -0.506 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H](O)COCC2CC2)CCC1 ZINC001601713657 1017868601 /nfs/dbraw/zinc/86/86/01/1017868601.db2.gz OWEXEMNQMVVDOE-LLVKDONJSA-N -1 0 321.395 -0.052 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC001601713367 1017868637 /nfs/dbraw/zinc/86/86/37/1017868637.db2.gz ZPBMVTZWKOPWAJ-SNVBAGLBSA-N -1 0 304.368 -0.803 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCCN2CCOCC2)CC1 ZINC001601716406 1017868644 /nfs/dbraw/zinc/86/86/44/1017868644.db2.gz SQXXYGTULKRAAX-UHFFFAOYSA-N -1 0 306.384 -0.507 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(c2nnc(CO)n2C[C@H]2CCOC2)C1 ZINC001601721059 1017868751 /nfs/dbraw/zinc/86/87/51/1017868751.db2.gz VPZQSMMSFANNQP-NOZJJQNGSA-N -1 0 314.317 -0.190 20 0 DBADRM O=C([O-])[C@@]1(CNS(=O)(=O)CCn2ccnc2)CCOC1 ZINC001601711631 1017868767 /nfs/dbraw/zinc/86/87/67/1017868767.db2.gz ZBXQXMNDBKWFQW-LLVKDONJSA-N -1 0 303.340 -0.706 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCCO[C@H]2CCOC2)CC1 ZINC001601716628 1017869020 /nfs/dbraw/zinc/86/90/20/1017869020.db2.gz YIGZFFSPINXISF-JTQLQIEISA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)C2(O)Cc3ccccc3C2)CC1 ZINC001601722174 1017869614 /nfs/dbraw/zinc/86/96/14/1017869614.db2.gz AUDINPSNSPBAMW-UHFFFAOYSA-N -1 0 305.330 -0.046 20 0 DBADRM O=C([O-])C12CC(C(=O)N[C@H](CO)[C@@H](O)c3cccnc3)(C1)C2 ZINC001601728112 1017869653 /nfs/dbraw/zinc/86/96/53/1017869653.db2.gz PXIZZSIATZYHBY-YFEARMNXSA-N -1 0 306.318 -0.153 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCCS(=O)(=O)CC2)CCC1 ZINC001601725355 1017869704 /nfs/dbraw/zinc/86/97/04/1017869704.db2.gz SXKIXLADPSJEGZ-UHFFFAOYSA-N -1 0 311.381 -0.556 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)C2=Cc3ccccc3OC2)C1 ZINC001601726681 1017869720 /nfs/dbraw/zinc/86/97/20/1017869720.db2.gz YBKXPWRLMYBWJY-UHFFFAOYSA-N -1 0 311.315 -0.119 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@]2(O)CCc3ccccc3C2)C1 ZINC001601722807 1017869730 /nfs/dbraw/zinc/86/97/30/1017869730.db2.gz XJZZZHXVAUHJAH-HOTGVXAUSA-N -1 0 305.330 -0.046 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)CCn2ccnc2)CC(CO)C1 ZINC001601721857 1017870183 /nfs/dbraw/zinc/87/01/83/1017870183.db2.gz BALAEMWYQJYULC-UHFFFAOYSA-N -1 0 303.340 -0.972 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)CCOCC2CCC2)C1 ZINC001601723915 1017870373 /nfs/dbraw/zinc/87/03/73/1017870373.db2.gz XPPMMOURRPHKCC-LBPRGKRZSA-N -1 0 307.368 -0.346 20 0 DBADRM O=C([O-])C12CC(C(=O)N[C@@H](CO)[C@H](O)c3cccnc3)(C1)C2 ZINC001601728110 1017870482 /nfs/dbraw/zinc/87/04/82/1017870482.db2.gz PXIZZSIATZYHBY-VWXOLTIFSA-N -1 0 306.318 -0.153 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC001601735554 1017870733 /nfs/dbraw/zinc/87/07/33/1017870733.db2.gz SCYYQDRUKUPSAX-IUCAKERBSA-N -1 0 308.294 -0.895 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)NCCOCC(F)(F)F)C1 ZINC001601733649 1017871105 /nfs/dbraw/zinc/87/11/05/1017871105.db2.gz FJJQNEZEFAXYBV-MRVPVSSYSA-N -1 0 324.255 -0.029 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)[C@@]3(O)CCSC3)C2)C1 ZINC001601738817 1017871383 /nfs/dbraw/zinc/87/13/83/1017871383.db2.gz JTLRMZBYRRDPGF-VXGBXAGGSA-N -1 0 300.336 -0.314 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(S(=O)(=O)c3c[nH]cn3)C2)C1 ZINC001601745280 1017871874 /nfs/dbraw/zinc/87/18/74/1017871874.db2.gz WNYGVQJAPODFIT-JTQLQIEISA-N -1 0 300.296 -0.596 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC001601745856 1017871882 /nfs/dbraw/zinc/87/18/82/1017871882.db2.gz ZFHJCJUVWBBYNX-AWEZNQCLSA-N -1 0 320.305 -0.141 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1S(=O)(=O)c1ccc(F)nc1F ZINC001601752986 1017872512 /nfs/dbraw/zinc/87/25/12/1017872512.db2.gz CQRRGFARTYWFMX-MUWHJKNJSA-N -1 0 322.289 -0.042 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)Cn1ncc2cccnc21 ZINC001601751112 1017872693 /nfs/dbraw/zinc/87/26/93/1017872693.db2.gz KQAXUNPYZQSNDE-CMPLNLGQSA-N -1 0 304.306 -0.132 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CC(=O)N(CC(F)(F)F)C2)C1 ZINC001601758697 1017873006 /nfs/dbraw/zinc/87/30/06/1017873006.db2.gz DVLLUDUODRHNQP-ZETCQYMHSA-N -1 0 309.244 -0.459 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001601757800 1017873076 /nfs/dbraw/zinc/87/30/76/1017873076.db2.gz XXSPOARJBIXHAG-DRZSPHRISA-N -1 0 310.354 -0.276 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC001601756459 1017873539 /nfs/dbraw/zinc/87/35/39/1017873539.db2.gz UCOPVRORGDRMGU-BREBYQMCSA-N -1 0 323.349 -0.331 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001601758372 1017873546 /nfs/dbraw/zinc/87/35/46/1017873546.db2.gz PSRRTFVMBAEDJW-BDAKNGLRSA-N -1 0 306.278 -0.286 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001601758374 1017874038 /nfs/dbraw/zinc/87/40/38/1017874038.db2.gz PSRRTFVMBAEDJW-IUCAKERBSA-N -1 0 306.278 -0.286 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2ccc3c(n2)OCCO3)C1 ZINC001601763568 1017874323 /nfs/dbraw/zinc/87/43/23/1017874323.db2.gz IZFKCKDUKXMAOT-RKDXNWHRSA-N -1 0 308.290 -0.240 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001601762647 1017874441 /nfs/dbraw/zinc/87/44/41/1017874441.db2.gz AJKORSKEVPUWAE-MNOVXSKESA-N -1 0 323.353 -0.374 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)N[C@H]2CCC3(C2)OCCO3)C1 ZINC001601762857 1017874817 /nfs/dbraw/zinc/87/48/17/1017874817.db2.gz NCYBTBMKZDZYKS-VWYCJHECSA-N -1 0 314.338 -0.241 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCCS(=O)(=O)C2CC2)C1 ZINC001601764824 1017874917 /nfs/dbraw/zinc/87/49/17/1017874917.db2.gz UYZTUBVOGJXMKY-RKDXNWHRSA-N -1 0 320.367 -0.959 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001601765236 1017875349 /nfs/dbraw/zinc/87/53/49/1017875349.db2.gz WVVIAJJVBLRWKO-GMTAPVOTSA-N -1 0 308.338 -0.256 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001601767468 1017875573 /nfs/dbraw/zinc/87/55/73/1017875573.db2.gz FPTNRVZVHLCEMU-CMPLNLGQSA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2ccc3[nH]c(CO)nc3c2)C1 ZINC001601766272 1017876015 /nfs/dbraw/zinc/87/60/15/1017876015.db2.gz SCICUKXYTGTLHR-ZJUUUORDSA-N -1 0 319.317 -0.037 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)CCCN2C(=O)CCC2=O)C1 ZINC001601767645 1017876102 /nfs/dbraw/zinc/87/61/02/1017876102.db2.gz SCAZPZHJQCVPKH-UWVGGRQHSA-N -1 0 312.322 -0.790 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCc2cnn(CCF)c2)C1 ZINC001601766212 1017876339 /nfs/dbraw/zinc/87/63/39/1017876339.db2.gz VSYQUHYZRQFTKB-GHMZBOCLSA-N -1 0 314.317 -0.170 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C2(N3CCOCC3)CCC2)C1 ZINC001601767949 1017876342 /nfs/dbraw/zinc/87/63/42/1017876342.db2.gz SQXKGELPPCJGAM-VXGBXAGGSA-N -1 0 312.366 -0.465 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(Cc2cn(C[C@@H]3CCCO3)nn2)C1 ZINC001601770277 1017876570 /nfs/dbraw/zinc/87/65/70/1017876570.db2.gz WAIUMZNTVXNAHM-WXHSDQCUSA-N -1 0 310.354 -0.276 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001601775860 1017876633 /nfs/dbraw/zinc/87/66/33/1017876633.db2.gz MJDLNVMTBHIKBL-SJHCENCUSA-N -1 0 324.377 -0.310 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)c1cnon1)C2 ZINC001601775319 1017876840 /nfs/dbraw/zinc/87/68/40/1017876840.db2.gz AQMOEZPCURBZPV-IUCAKERBSA-N -1 0 320.305 -0.535 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CCO)CCNCc1cscn1 ZINC001601775314 1017877042 /nfs/dbraw/zinc/87/70/42/1017877042.db2.gz APULDHWIBSXNEY-WDEREUQCSA-N -1 0 313.379 -0.226 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1nnnn1CC1CCOCC1 ZINC001601773150 1017877501 /nfs/dbraw/zinc/87/75/01/1017877501.db2.gz NBGYHLWLROOTJT-GHMZBOCLSA-N -1 0 311.342 -0.881 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCN(C(=O)c1csnn1)C1CC1 ZINC001601776805 1017877715 /nfs/dbraw/zinc/87/77/15/1017877715.db2.gz ACKJMZDSMIABCF-IUCAKERBSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccccc2)C1 ZINC001601776769 1017877918 /nfs/dbraw/zinc/87/79/18/1017877918.db2.gz CEKMCAPIOIZDKK-RYUDHWBXSA-N -1 0 318.329 -0.290 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001601776774 1017878067 /nfs/dbraw/zinc/87/80/67/1017878067.db2.gz CELSZKNDQTXFAX-ZJUUUORDSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001601776773 1017878120 /nfs/dbraw/zinc/87/81/20/1017878120.db2.gz CELSZKNDQTXFAX-VHSXEESVSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1=CCN(C(=O)c2cnon2)CC1 ZINC001601777129 1017878134 /nfs/dbraw/zinc/87/81/34/1017878134.db2.gz CZMVVEOPUKMNNX-ZJUUUORDSA-N -1 0 320.305 -0.321 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)CCCn2ccnn2)C1 ZINC001601777096 1017878184 /nfs/dbraw/zinc/87/81/84/1017878184.db2.gz CVLRVQOVWUEYCU-WDEREUQCSA-N -1 0 321.337 -0.894 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCN(C(=O)c1csnn1)C1CC1 ZINC001601776804 1017878377 /nfs/dbraw/zinc/87/83/77/1017878377.db2.gz ACKJMZDSMIABCF-DTWKUNHWSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)CCCn2ccnn2)C1 ZINC001601777093 1017878429 /nfs/dbraw/zinc/87/84/29/1017878429.db2.gz CVLRVQOVWUEYCU-MNOVXSKESA-N -1 0 321.337 -0.894 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnsn3)C[C@H]21 ZINC001601778311 1017879249 /nfs/dbraw/zinc/87/92/49/1017879249.db2.gz BUTCKAXIJIRAFE-RZWYQDGFSA-N -1 0 322.346 -0.555 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCN1CCN(C(=O)CC2CC2)CC1 ZINC001601777429 1017879272 /nfs/dbraw/zinc/87/92/72/1017879272.db2.gz DEEGNBOOXCWTMI-QWHCGFSZSA-N -1 0 323.393 -0.232 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)C2=CCCC2)C1 ZINC001601778391 1017879306 /nfs/dbraw/zinc/87/93/06/1017879306.db2.gz KQUHUWXZPFTNIR-NEPJUHHUSA-N -1 0 322.361 -0.103 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001601777827 1017879377 /nfs/dbraw/zinc/87/93/77/1017879377.db2.gz ARPWDIMHTNDMRN-BGZDPUMWSA-N -1 0 309.326 -0.785 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001601777147 1017879621 /nfs/dbraw/zinc/87/96/21/1017879621.db2.gz GDRCJHUABSMTLB-QWRGUYRKSA-N -1 0 306.322 -0.656 20 0 DBADRM CC[C@H](CNC(=O)C=C(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001498891407 1017879738 /nfs/dbraw/zinc/87/97/38/1017879738.db2.gz GCPRNBYAKLCUSU-MRVPVSSYSA-N -1 0 309.326 -0.126 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNCc1cn(CC2CC2)nn1 ZINC001601777484 1017879770 /nfs/dbraw/zinc/87/97/70/1017879770.db2.gz DRRXLDJZUATGJZ-RYUDHWBXSA-N -1 0 307.354 -0.385 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)Cn2nccn2)CC1 ZINC001601777503 1017879888 /nfs/dbraw/zinc/87/98/88/1017879888.db2.gz HXFCYIVTSLYQIT-GHMZBOCLSA-N -1 0 321.337 -0.940 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2cncnc2)CC1 ZINC001601779078 1017880043 /nfs/dbraw/zinc/88/00/43/1017880043.db2.gz LCVWLZIWGQDYKY-VXGBXAGGSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccnnc2)CC1 ZINC001601779674 1017880090 /nfs/dbraw/zinc/88/00/90/1017880090.db2.gz QDSNIPRNTFTDFQ-WDEREUQCSA-N -1 0 304.306 -0.518 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCN(C(=O)c1ncc[nH]1)C1CC1 ZINC001601779460 1017880477 /nfs/dbraw/zinc/88/04/77/1017880477.db2.gz JAJVUBWXAJOGCG-UWVGGRQHSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)Cc2ncccc2F)C1 ZINC001601779588 1017880970 /nfs/dbraw/zinc/88/09/70/1017880970.db2.gz NDZOKULICYNQEU-UWVGGRQHSA-N -1 0 321.308 -0.189 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)Cc2cncnc2)C1 ZINC001601781219 1017881289 /nfs/dbraw/zinc/88/12/89/1017881289.db2.gz OAVXFKQLEBGLIO-NEPJUHHUSA-N -1 0 318.333 -0.686 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1=CCN(C(=O)c2cn[nH]n2)CC1 ZINC001601780963 1017881320 /nfs/dbraw/zinc/88/13/20/1017881320.db2.gz QOCGINFMCXCIEZ-NXEZZACHSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNCc1nc(CC2CC2)no1 ZINC001601781312 1017881800 /nfs/dbraw/zinc/88/18/00/1017881800.db2.gz OVKMBNUUJMDOAV-ZJUUUORDSA-N -1 0 308.338 -0.051 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)CC2(O)CCC2)C1 ZINC001601780343 1017881858 /nfs/dbraw/zinc/88/18/58/1017881858.db2.gz KWPJLBWDJQGQGY-QWRGUYRKSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CCOCC3)C[C@H]21 ZINC001601781359 1017882162 /nfs/dbraw/zinc/88/21/62/1017882162.db2.gz NTFKOKLUCULLFF-KVSVUVNWSA-N -1 0 320.345 -0.373 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1cc(=O)n2[n-]ccc2n1)C(F)F ZINC001498908120 1017882448 /nfs/dbraw/zinc/88/24/48/1017882448.db2.gz VKFJOVOTFFXQOE-SECBINFHSA-N -1 0 311.292 -0.022 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001601782074 1017882482 /nfs/dbraw/zinc/88/24/82/1017882482.db2.gz PRUAHERCEDZKCL-ZWYQGIKHSA-N -1 0 308.334 -0.637 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)C2=COCCO2)CC1 ZINC001601781754 1017882564 /nfs/dbraw/zinc/88/25/64/1017882564.db2.gz SXLANGQHLALXTM-QWRGUYRKSA-N -1 0 324.333 -0.298 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1ccc[nH]1 ZINC001601783110 1017882587 /nfs/dbraw/zinc/88/25/87/1017882587.db2.gz SQWMVSRRABADPH-ZJUUUORDSA-N -1 0 309.322 -0.714 20 0 DBADRM COCC(=O)NC[C@H]1CCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC001498906046 1017882878 /nfs/dbraw/zinc/88/28/78/1017882878.db2.gz ATRKCFNQRHZREL-LLVKDONJSA-N -1 0 305.338 -0.641 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1ccc[nH]1 ZINC001601783105 1017883189 /nfs/dbraw/zinc/88/31/89/1017883189.db2.gz SQWMVSRRABADPH-NXEZZACHSA-N -1 0 309.322 -0.714 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2nccs2)C1 ZINC001601781770 1017883418 /nfs/dbraw/zinc/88/34/18/1017883418.db2.gz TUGBVTCKEGSAEY-RKDXNWHRSA-N -1 0 311.363 -0.473 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2cnns2)C1 ZINC001601785454 1017883630 /nfs/dbraw/zinc/88/36/30/1017883630.db2.gz YHEJHXQHHPJNKN-YUMQZZPRSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC001601784044 1017884178 /nfs/dbraw/zinc/88/41/78/1017884178.db2.gz UQUGRQNJQAMYLP-VLLVSFFDSA-N -1 0 315.329 -0.011 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001601784065 1017884292 /nfs/dbraw/zinc/88/42/92/1017884292.db2.gz YCPSZVAFSUZRIH-VHSXEESVSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001601784371 1017884321 /nfs/dbraw/zinc/88/43/21/1017884321.db2.gz VRMVQMMQGVIEKN-KKJSVHSVSA-N -1 0 308.334 -0.826 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2cnsn2)CC1 ZINC001601783937 1017884333 /nfs/dbraw/zinc/88/43/33/1017884333.db2.gz XSBDGJISKNRDDO-IUCAKERBSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)NCCc1nnc[nH]1 ZINC001601809567 1017884688 /nfs/dbraw/zinc/88/46/88/1017884688.db2.gz HKDLROMYDHIJTM-RKDXNWHRSA-N -1 0 302.356 -0.090 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCC[C@H](CCO)C2)C1=O ZINC001601817826 1017884820 /nfs/dbraw/zinc/88/48/20/1017884820.db2.gz HNLPGFPPYKIIGZ-NEPJUHHUSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)NCCc1nnc[nH]1 ZINC001601809564 1017884954 /nfs/dbraw/zinc/88/49/54/1017884954.db2.gz HKDLROMYDHIJTM-DTWKUNHWSA-N -1 0 302.356 -0.090 20 0 DBADRM O=C([O-])[C@H]1CCCCCN1C(=O)c1cnn(C[C@H](O)CO)c1 ZINC001601815324 1017885422 /nfs/dbraw/zinc/88/54/22/1017885422.db2.gz ATXLZFOQWBZDPQ-NWDGAFQWSA-N -1 0 311.338 -0.294 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC[C@@H](c3ncon3)C2)C1=O ZINC001601816943 1017885289 /nfs/dbraw/zinc/88/52/89/1017885289.db2.gz COFBGCYSEYLDFI-ZJUUUORDSA-N -1 0 322.321 -0.291 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC[C@@H]3OCC[C@@H]3C2)C1=O ZINC001601816777 1017885449 /nfs/dbraw/zinc/88/54/49/1017885449.db2.gz INEGSQBYMMFGKC-WOPDTQHZSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCC[C@@H](CO)CC2)C1=O ZINC001601818181 1017885803 /nfs/dbraw/zinc/88/58/03/1017885803.db2.gz KKFZDFJGWYTNPS-NEPJUHHUSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC(=O)N(CC3CC3)C2)C1=O ZINC001601818331 1017886218 /nfs/dbraw/zinc/88/62/18/1017886218.db2.gz LDUBUXHCOXNMFZ-LLVKDONJSA-N -1 0 323.349 -0.652 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)C1 ZINC001601819867 1017886330 /nfs/dbraw/zinc/88/63/30/1017886330.db2.gz HIXIOKQABZZCCS-MXWKQRLJSA-N -1 0 306.322 -0.651 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@@H]([C@@H]2CCCO2)C1 ZINC001601820543 1017886386 /nfs/dbraw/zinc/88/63/86/1017886386.db2.gz PPLXZIPFQYFMTP-KKOKHZNYSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCC3(C2)OCCO3)C1=O ZINC001601819287 1017886401 /nfs/dbraw/zinc/88/64/01/1017886401.db2.gz WYSORCWYWLVKMY-JTQLQIEISA-N -1 0 312.322 -0.715 20 0 DBADRM O=C([O-])C1CCN(C(=O)Cn2cc(Cn3ccnc3)nn2)CC1 ZINC001601821987 1017886564 /nfs/dbraw/zinc/88/65/64/1017886564.db2.gz RNNZHNXPPYVDJJ-UHFFFAOYSA-N -1 0 318.337 -0.154 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCC[C@H](CO)CC2)C1=O ZINC001601818183 1017886571 /nfs/dbraw/zinc/88/65/71/1017886571.db2.gz KKFZDFJGWYTNPS-RYUDHWBXSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@H](O)c2ccco2)CC1 ZINC001601830307 1017887093 /nfs/dbraw/zinc/88/70/93/1017887093.db2.gz TYUUVJMPVWXUIE-JTQLQIEISA-N -1 0 318.351 -0.056 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CC(c3ccccn3)=NO2)CCO1 ZINC001601839179 1017887395 /nfs/dbraw/zinc/88/73/95/1017887395.db2.gz DIOLWYCPYHJTLQ-VXGBXAGGSA-N -1 0 305.290 -0.113 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N(CCN3CCNC3=O)C(=O)[C@@H]2C1 ZINC001601843238 1017887898 /nfs/dbraw/zinc/88/78/98/1017887898.db2.gz RGBRKCDHICSJBC-BDAKNGLRSA-N -1 0 310.310 -0.861 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N(CC[C@@]3(O)CCOC3)C(=O)[C@@H]2C1 ZINC001601842964 1017888064 /nfs/dbraw/zinc/88/80/64/1017888064.db2.gz QSALCLMSZRGBMH-ISTVAULSSA-N -1 0 312.322 -0.345 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2C[C@@H]2CC3(CCC3)CO2)CCO1 ZINC001601849365 1017888151 /nfs/dbraw/zinc/88/81/51/1017888151.db2.gz GSIZDXNDLZQUTD-QWRGUYRKSA-N -1 0 323.353 -0.078 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2CC2SCCS2)CCO1 ZINC001601848779 1017888385 /nfs/dbraw/zinc/88/83/85/1017888385.db2.gz AQYRMLQETHAZFD-SSDOTTSWSA-N -1 0 317.396 -0.231 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc(Nc3nn[nH]n3)c2)CCO1 ZINC001601846927 1017888832 /nfs/dbraw/zinc/88/88/32/1017888832.db2.gz GHLFJABIUDGOKZ-JTQLQIEISA-N -1 0 318.293 -0.131 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C\C1CCOCC1 ZINC001601853835 1017889310 /nfs/dbraw/zinc/88/93/10/1017889310.db2.gz YPULEHRWFCETPV-BVBSBALXSA-N -1 0 317.363 -0.321 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc2nccn2c1 ZINC001601854162 1017889641 /nfs/dbraw/zinc/88/96/41/1017889641.db2.gz ROHDYDYLBLYDKY-SNVBAGLBSA-N -1 0 323.330 -0.342 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(Cl)nn1 ZINC001601854124 1017889968 /nfs/dbraw/zinc/88/99/68/1017889968.db2.gz PSVJVZIWMSUPHP-ZETCQYMHSA-N -1 0 319.726 -0.546 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1csc(=O)[nH]1 ZINC001601854447 1017890456 /nfs/dbraw/zinc/89/04/56/1017890456.db2.gz JBBFSJPAHGXMPK-LURJTMIESA-N -1 0 306.321 -0.828 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ncc(F)cc1F ZINC001601854760 1017890599 /nfs/dbraw/zinc/89/05/99/1017890599.db2.gz YVOWUYPRWFCOOB-QMMMGPOBSA-N -1 0 320.273 -0.316 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CCCN1CCCC1=O ZINC001601854396 1017890624 /nfs/dbraw/zinc/89/06/24/1017890624.db2.gz FXMGAQKUPBWCLY-SNVBAGLBSA-N -1 0 304.368 -0.818 20 0 DBADRM O=C([O-])/C=C\c1ccc(S(=O)(=O)N[C@H]2CCNC2=O)cc1 ZINC001601885976 1017890857 /nfs/dbraw/zinc/89/08/57/1017890857.db2.gz QWZQFUVZRPNYQM-UUSYTGMJSA-N -1 0 310.331 -0.049 20 0 DBADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@@H](CO)CN2CCOCC2)o1 ZINC001601875680 1017890962 /nfs/dbraw/zinc/89/09/62/1017890962.db2.gz VWMOIYSLBDIRET-JRBALWBOSA-N -1 0 324.333 -0.200 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)COC2 ZINC001601908397 1017891213 /nfs/dbraw/zinc/89/12/13/1017891213.db2.gz FPQLEUYXRAXJRP-LLVKDONJSA-N -1 0 308.290 -0.393 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)Cn1cccnc1=O)c1ccncc1 ZINC001601902029 1017891218 /nfs/dbraw/zinc/89/12/18/1017891218.db2.gz PSHOGYFTYGBZQT-LLVKDONJSA-N -1 0 302.290 -0.030 20 0 DBADRM O=C([O-])C[C@H](NC(=O)CCNC(=O)CO)c1cccs1 ZINC001601898333 1017891564 /nfs/dbraw/zinc/89/15/64/1017891564.db2.gz MBQDGVARYDTYTO-QMMMGPOBSA-N -1 0 300.336 -0.121 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1cc(F)ccc1F ZINC001601909691 1017892259 /nfs/dbraw/zinc/89/22/59/1017892259.db2.gz UHEAOAQPXNUBML-SSDOTTSWSA-N -1 0 302.233 -0.145 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Cn1c(=O)cnc2ccccc21 ZINC001601911615 1017892613 /nfs/dbraw/zinc/89/26/13/1017892613.db2.gz IQHVZXAAJOWIQD-VIFPVBQESA-N -1 0 305.290 -0.652 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Nc1cccc2c1CCNC2=O ZINC001601911856 1017892820 /nfs/dbraw/zinc/89/28/20/1017892820.db2.gz LITGVAZTBZMBHW-MRVPVSSYSA-N -1 0 307.306 -0.070 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CCn3nncc3C2)CC1 ZINC001601921692 1017893180 /nfs/dbraw/zinc/89/31/80/1017893180.db2.gz JQVUPAOIYBTCLX-UHFFFAOYSA-N -1 0 300.340 -0.322 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)c1ccn(CCn2cccn2)n1 ZINC001601913215 1017893244 /nfs/dbraw/zinc/89/32/44/1017893244.db2.gz YRABDPNTIKUGLN-SNVBAGLBSA-N -1 0 307.310 -0.655 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@H]2CCCOC2)CCS(=O)(=O)CC1 ZINC001601926045 1017893567 /nfs/dbraw/zinc/89/35/67/1017893567.db2.gz ZNSMTOWUYSOUNN-JTQLQIEISA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)CN2CCCS2(=O)=O)CCCOC1 ZINC001601926815 1017893582 /nfs/dbraw/zinc/89/35/82/1017893582.db2.gz IHFJMJVFYBIUJQ-GFCCVEGCSA-N -1 0 320.367 -0.838 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)CC1 ZINC001601921484 1017893765 /nfs/dbraw/zinc/89/37/65/1017893765.db2.gz FQTAIDBWJDWBSJ-IUCAKERBSA-N -1 0 303.336 -0.324 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)CCN2CCOC2=O)CCCOC1 ZINC001601927033 1017894218 /nfs/dbraw/zinc/89/42/18/1017894218.db2.gz YWEGTVPYZDDUJM-CYBMUJFWSA-N -1 0 300.311 -0.031 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C[C@H](O)CC1(CO)CCCC1 ZINC001601939050 1017894593 /nfs/dbraw/zinc/89/45/93/1017894593.db2.gz HSLOUSIWCMEFIP-NEPJUHHUSA-N -1 0 314.382 -0.435 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cn1cc(Cl)cn1 ZINC001601938680 1017894692 /nfs/dbraw/zinc/89/46/92/1017894692.db2.gz DMLQHOZMHBKNJI-MRVPVSSYSA-N -1 0 300.702 -0.662 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ncc2ccccn21 ZINC001601938840 1017894748 /nfs/dbraw/zinc/89/47/48/1017894748.db2.gz DLUGEJOFKIWLHX-JTQLQIEISA-N -1 0 302.290 -0.250 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(F)(F)C(=O)N2CCOCC2)C1 ZINC001601939687 1017894801 /nfs/dbraw/zinc/89/48/01/1017894801.db2.gz ASSTYZJOCTUXJI-UHFFFAOYSA-N -1 0 320.292 -0.150 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CCn1cc(Cl)cn1 ZINC001601939129 1017894924 /nfs/dbraw/zinc/89/49/24/1017894924.db2.gz MBCADRMHJYCQGF-VIFPVBQESA-N -1 0 314.729 -0.272 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001601939609 1017894967 /nfs/dbraw/zinc/89/49/67/1017894967.db2.gz OSBIFLPRWFBKHU-HUAZRZQGSA-N -1 0 324.333 -0.970 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cnc2n1CCCC2 ZINC001601940254 1017895516 /nfs/dbraw/zinc/89/55/16/1017895516.db2.gz HRQGAAXKQVTSBO-VIFPVBQESA-N -1 0 306.322 -0.365 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC001601950850 1017895832 /nfs/dbraw/zinc/89/58/32/1017895832.db2.gz BWEVWAONLLYPDV-KOLCDFICSA-N -1 0 323.349 -0.668 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cccc2cn[nH]c21 ZINC001601941714 1017896005 /nfs/dbraw/zinc/89/60/05/1017896005.db2.gz NVPQOEBBOCJAEF-JTQLQIEISA-N -1 0 302.290 -0.022 20 0 DBADRM O=C([O-])CC1CC(NC(=O)NCCCn2cc(CO)nn2)C1 ZINC001601943494 1017896149 /nfs/dbraw/zinc/89/61/49/1017896149.db2.gz MBDINEADOQYOIV-UHFFFAOYSA-N -1 0 311.342 -0.287 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC001601986511 1017901984 /nfs/dbraw/zinc/90/19/84/1017901984.db2.gz PMRIYNCUXAIHQV-QWRGUYRKSA-N -1 0 309.384 -0.506 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cc1[nH]nc2c1CCCC2 ZINC001601941319 1017896789 /nfs/dbraw/zinc/89/67/89/1017896789.db2.gz XQLSMICPKYRFNC-LBPRGKRZSA-N -1 0 320.349 -0.367 20 0 DBADRM O=C([O-])CC1CC(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC001601943682 1017896830 /nfs/dbraw/zinc/89/68/30/1017896830.db2.gz IBZSJPULMKJUMR-AMDVSUOASA-N -1 0 310.310 -0.815 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)CCO1 ZINC001601957257 1017897349 /nfs/dbraw/zinc/89/73/49/1017897349.db2.gz AWASCFQGHAVNPR-DDHJBXDOSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1c1nnnn1CCCN1CCOCC1 ZINC001601953436 1017897497 /nfs/dbraw/zinc/89/74/97/1017897497.db2.gz HBCAHCNRYIQPJX-LBPRGKRZSA-N -1 0 324.385 -0.161 20 0 DBADRM O=C([O-])CC1CCN(C(=O)C(=O)NCCn2cccn2)CC1 ZINC001601954530 1017897664 /nfs/dbraw/zinc/89/76/64/1017897664.db2.gz HBYLWMHNJWGADW-UHFFFAOYSA-N -1 0 308.338 -0.287 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CC2(F)F)CCO1 ZINC001601957332 1017897917 /nfs/dbraw/zinc/89/79/17/1017897917.db2.gz CMAIGVRIZHTGIL-DTWKUNHWSA-N -1 0 320.292 -0.150 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC=CO2)CCO1 ZINC001601959053 1017897925 /nfs/dbraw/zinc/89/79/25/1017897925.db2.gz TVWVTKGBWBORSX-QWRGUYRKSA-N -1 0 312.322 -0.503 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCCc2ccco2)CCO1 ZINC001601957753 1017898030 /nfs/dbraw/zinc/89/80/30/1017898030.db2.gz JOJUORBUXIZKJG-NSHDSACASA-N -1 0 310.306 -0.360 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)CCO1 ZINC001601960727 1017898208 /nfs/dbraw/zinc/89/82/08/1017898208.db2.gz VTDLPAMVDGUUGY-SECBINFHSA-N -1 0 305.294 -0.631 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCCO2)CCO1 ZINC001601959948 1017898303 /nfs/dbraw/zinc/89/83/03/1017898303.db2.gz YYBSYVUWVBFVRU-MNOVXSKESA-N -1 0 314.338 -0.626 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CCO1 ZINC001601961117 1017898407 /nfs/dbraw/zinc/89/84/07/1017898407.db2.gz VHISHQZCJOTAEJ-FBIMIBRVSA-N -1 0 310.310 -0.710 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCCc2cccnc2)CCO1 ZINC001601959479 1017898476 /nfs/dbraw/zinc/89/84/76/1017898476.db2.gz WQNUBEQDBRFTQP-LBPRGKRZSA-N -1 0 321.333 -0.558 20 0 DBADRM O=C([O-])C[C@H]1CN(Cc2nc3c(c(=O)[nH]2)COCC3)CCO1 ZINC001601961950 1017898645 /nfs/dbraw/zinc/89/86/45/1017898645.db2.gz RWFJPVFICDITQT-VIFPVBQESA-N -1 0 309.322 -0.070 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)CCOCC1CC1 ZINC001601964376 1017898859 /nfs/dbraw/zinc/89/88/59/1017898859.db2.gz REMZYZVCEIPCHQ-NSHDSACASA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1C[C@]12CCOC2 ZINC001601965816 1017899279 /nfs/dbraw/zinc/89/92/79/1017899279.db2.gz SYMJGFSQTDGCTH-BREBYQMCSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc[n+]([O-])c1 ZINC001601964978 1017899338 /nfs/dbraw/zinc/89/93/38/1017899338.db2.gz YEXWYSFZUPCOMF-JTQLQIEISA-N -1 0 314.319 -0.966 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1Cn1nc2cnccn2c1=O ZINC001601967342 1017899523 /nfs/dbraw/zinc/89/95/23/1017899523.db2.gz CPHNDAZJWIBBNG-SECBINFHSA-N -1 0 309.351 -0.259 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC001601967097 1017899565 /nfs/dbraw/zinc/89/95/65/1017899565.db2.gz SIYCWDPQXIVWRJ-VXGBXAGGSA-N -1 0 313.423 -0.205 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1Cn1ccsc1=O ZINC001601967093 1017899683 /nfs/dbraw/zinc/89/96/83/1017899683.db2.gz SGGQBIUUHVGEJW-QMMMGPOBSA-N -1 0 306.365 -0.559 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001601966516 1017899732 /nfs/dbraw/zinc/89/97/32/1017899732.db2.gz VAXGLORDQWMKGG-VHSXEESVSA-N -1 0 303.336 -0.363 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC001601969194 1017903902 /nfs/dbraw/zinc/90/39/02/1017903902.db2.gz YDCNMGMBVILIFJ-AXFHLTTASA-N -1 0 316.379 -0.472 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1CC1(O)CCOCC1 ZINC001601968946 1017903947 /nfs/dbraw/zinc/90/39/47/1017903947.db2.gz WWFOJINKQDUPFX-JTQLQIEISA-N -1 0 307.368 -0.898 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCc1nc([C@@H]2CCCO2)n[nH]1 ZINC001602002031 1017904538 /nfs/dbraw/zinc/90/45/38/1017904538.db2.gz OSNOXGPWPUEYJG-QMMMGPOBSA-N -1 0 318.355 -0.060 20 0 DBADRM O=C([O-])CCCNC(=S)NNC(=S)NC[C@@H]1CCCO1 ZINC001601993128 1017905139 /nfs/dbraw/zinc/90/51/39/1017905139.db2.gz CBBTYBNDQBPGIS-QMMMGPOBSA-N -1 0 320.440 -0.127 20 0 DBADRM O=C([O-])CCCc1csc(NC(=O)CCNC(=O)CO)n1 ZINC001602000022 1017905187 /nfs/dbraw/zinc/90/51/87/1017905187.db2.gz GRKYKJGTDFPPDV-UHFFFAOYSA-N -1 0 315.351 -0.013 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC001601999144 1017905362 /nfs/dbraw/zinc/90/53/62/1017905362.db2.gz YNZHHEWCBNUAEH-SNVBAGLBSA-N -1 0 305.352 -0.139 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001602005704 1017910188 /nfs/dbraw/zinc/91/01/88/1017910188.db2.gz IZTXWSDGNURFKH-UWVGGRQHSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)CN1CCOC1=O ZINC001602005998 1017910628 /nfs/dbraw/zinc/91/06/28/1017910628.db2.gz YDDZUIUDPFQSPQ-SNVBAGLBSA-N -1 0 300.311 -0.079 20 0 DBADRM O=C([O-])CCN1CC[C@@H](n2cc(C[C@H](O)C3CC3)nn2)C1=O ZINC001602011821 1017911970 /nfs/dbraw/zinc/91/19/70/1017911970.db2.gz CKCBHZTUODQGLJ-NEPJUHHUSA-N -1 0 308.338 -0.160 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)C1CS(=O)(=O)C1 ZINC001602005685 1017912000 /nfs/dbraw/zinc/91/20/00/1017912000.db2.gz IREBLXHUZVSBEF-SNVBAGLBSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@@H]1CCc2nncn2CC1 ZINC001602015980 1017914965 /nfs/dbraw/zinc/91/49/65/1017914965.db2.gz GVKKYRQCTMLSEC-SNVBAGLBSA-N -1 0 323.353 -0.672 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](OC(=O)C[C@H]2COC(=O)C2)C1=O ZINC001602014294 1017914988 /nfs/dbraw/zinc/91/49/88/1017914988.db2.gz KCRTZXQNLZSGDA-VHSXEESVSA-N -1 0 313.306 -0.052 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)C2(C(=O)NC3CC3)CC2)C1=O ZINC001602017226 1017915242 /nfs/dbraw/zinc/91/52/42/1017915242.db2.gz UVVFCDYTJSCTFM-JTQLQIEISA-N -1 0 324.333 -0.336 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC001602013991 1017916994 /nfs/dbraw/zinc/91/69/94/1017916994.db2.gz LJMKDOWZVKXKLJ-SECBINFHSA-N -1 0 310.310 -0.551 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1ccn(C(F)F)n1 ZINC001602018554 1017917957 /nfs/dbraw/zinc/91/79/57/1017917957.db2.gz RDBYQLXZWUCDTH-UHFFFAOYSA-N -1 0 304.253 -0.011 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCCC[C@H]1CCO ZINC001602017777 1017918526 /nfs/dbraw/zinc/91/85/26/1017918526.db2.gz JFRVUYYBKSGEAD-NSHDSACASA-N -1 0 315.370 -0.086 20 0 DBADRM O=C([O-])CCNC(=O)CN1C(=O)NC2(CCC(=O)CC2)C1=O ZINC001602019038 1017918757 /nfs/dbraw/zinc/91/87/57/1017918757.db2.gz CAEOMRBHNDCKNP-UHFFFAOYSA-N -1 0 311.294 -0.989 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC001602019691 1017918921 /nfs/dbraw/zinc/91/89/21/1017918921.db2.gz NZXQDJAWWDJPIM-GHMZBOCLSA-N -1 0 313.354 -0.166 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NC[C@H]1CCCCO1 ZINC001602019565 1017919104 /nfs/dbraw/zinc/91/91/04/1017919104.db2.gz NGZVPKOCTYXWBN-SNVBAGLBSA-N -1 0 301.343 -0.164 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1ccnc2[nH]cnc21 ZINC001602018321 1017919521 /nfs/dbraw/zinc/91/95/21/1017919521.db2.gz OOYYVLUJWCHYAS-UHFFFAOYSA-N -1 0 305.294 -0.331 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@H](CO)C1CCCC1 ZINC001602019401 1017919627 /nfs/dbraw/zinc/91/96/27/1017919627.db2.gz KZPZXLGELBUIKG-LLVKDONJSA-N -1 0 315.370 -0.182 20 0 DBADRM Cc1cncn1CC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001499022273 1017920441 /nfs/dbraw/zinc/92/04/41/1017920441.db2.gz VLMXIMHNPHDYBA-SNVBAGLBSA-N -1 0 305.342 -0.594 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)[C@@H]2CCCS2(=O)=O)C1=O ZINC001602017387 1017921146 /nfs/dbraw/zinc/92/11/46/1017921146.db2.gz XEVLZXXHXOTPCQ-IUCAKERBSA-N -1 0 319.335 -0.818 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CC[C@H](O)[C@@H](CO)C2)O1 ZINC001602034138 1017927509 /nfs/dbraw/zinc/92/75/09/1017927509.db2.gz FXQUCQZKNJKLOK-NOOOWODRSA-N -1 0 301.339 -0.400 20 0 DBADRM O=C([O-])CCSCCNC(=O)CN1CCCCC(=O)C1=O ZINC001602029056 1017928141 /nfs/dbraw/zinc/92/81/41/1017928141.db2.gz BNXSNVYNTJLGJF-UHFFFAOYSA-N -1 0 316.379 -0.108 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CC[C@@H](O)[C@H](CO)C2)O1 ZINC001602034137 1017928325 /nfs/dbraw/zinc/92/83/25/1017928325.db2.gz FXQUCQZKNJKLOK-NNYUYHANSA-N -1 0 301.339 -0.400 20 0 DBADRM O=C([O-])CCc1nc(COC(=O)[C@@H]2CCCS2(=O)=O)no1 ZINC001602047985 1017929087 /nfs/dbraw/zinc/92/90/87/1017929087.db2.gz PUMJVHZURBVKOS-ZETCQYMHSA-N -1 0 318.307 -0.293 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCCN2C(=O)CNC2=O)O1 ZINC001602035648 1017929120 /nfs/dbraw/zinc/92/91/20/1017929120.db2.gz NNUOPNWLZDSWNQ-DTWKUNHWSA-N -1 0 313.310 -0.933 20 0 DBADRM O=C([O-])CN(C1CC1)S(=O)(=O)CCCN1CCOCC1 ZINC001602053564 1017930228 /nfs/dbraw/zinc/93/02/28/1017930228.db2.gz AREVKNQHDKQCTO-UHFFFAOYSA-N -1 0 306.384 -0.413 20 0 DBADRM O=C([O-])CN1CCN(S(=O)(=O)c2c[nH]c(=O)s2)CC1 ZINC001602061984 1017930650 /nfs/dbraw/zinc/93/06/50/1017930650.db2.gz BVWPIDRIOICBFY-UHFFFAOYSA-N -1 0 307.353 -0.760 20 0 DBADRM O=C([O-])CN1CCN(S(=O)(=O)CC[C@@H]2CCCCO2)CC1 ZINC001602062418 1017931579 /nfs/dbraw/zinc/93/15/79/1017931579.db2.gz RVZCHBIVUBSALE-LBPRGKRZSA-N -1 0 320.411 -0.022 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1ccnc(CO)c1 ZINC001602054766 1017933130 /nfs/dbraw/zinc/93/31/30/1017933130.db2.gz YTQZWZXBVVBHEQ-UHFFFAOYSA-N -1 0 323.349 -0.567 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cscn1 ZINC001602065289 1017934381 /nfs/dbraw/zinc/93/43/81/1017934381.db2.gz GYMIHNUVMIRUPC-SSDOTTSWSA-N -1 0 319.364 -0.503 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)/C=C/Cn1cncn1 ZINC001602064278 1017935952 /nfs/dbraw/zinc/93/59/52/1017935952.db2.gz NPIJUOGOYRDBGA-XCRNYIDWSA-N -1 0 307.310 -0.974 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)C(=O)c1c[nH]c2cc(F)ccc12 ZINC001602065474 1017936124 /nfs/dbraw/zinc/93/61/24/1017936124.db2.gz FVYYKZNOUCXGIW-UHFFFAOYSA-N -1 0 321.264 -0.193 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001602064535 1017936870 /nfs/dbraw/zinc/93/68/70/1017936870.db2.gz YWKWHRDFZLINKX-KOLCDFICSA-N -1 0 323.349 -0.811 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001602064250 1017936993 /nfs/dbraw/zinc/93/69/93/1017936993.db2.gz MZQNXFLMCHQLBP-BXKDBHETSA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@H](O)Cc1ccccc1Cl ZINC001602065521 1017937881 /nfs/dbraw/zinc/93/78/81/1017937881.db2.gz HFOYPXBJFRAOCR-SNVBAGLBSA-N -1 0 314.725 -0.440 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)C[C@@H](n1ccnc1)C(F)(F)F ZINC001602069335 1017938669 /nfs/dbraw/zinc/93/86/69/1017938669.db2.gz ZWSPEHABODPCKA-SSDOTTSWSA-N -1 0 322.243 -0.306 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)CCc1nc(-c2ccco2)no1 ZINC001602069277 1017938902 /nfs/dbraw/zinc/93/89/02/1017938902.db2.gz VZKYEZIZRLJUPO-UHFFFAOYSA-N -1 0 322.277 -0.421 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1S(=O)(=O)C[C@H]1CCOC1 ZINC001602067106 1017940229 /nfs/dbraw/zinc/94/02/29/1017940229.db2.gz GCEBKPOHZDSGCL-VHSXEESVSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1Cc1cnc2cnccn12 ZINC001602068580 1017941174 /nfs/dbraw/zinc/94/11/74/1017941174.db2.gz RCMFXSMPOSFDAR-NSHDSACASA-N -1 0 303.322 -0.106 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)c1ccccc1 ZINC001602067602 1017941515 /nfs/dbraw/zinc/94/15/15/1017941515.db2.gz UBMNCXIPQRWLHB-AAEUAGOBSA-N -1 0 306.318 -0.088 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cncc(Cl)n1 ZINC001602066225 1017942087 /nfs/dbraw/zinc/94/20/87/1017942087.db2.gz LWNFPQKUGCZAGR-QMMMGPOBSA-N -1 0 312.713 -0.065 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C2(O)CCOCC2)cc1 ZINC001602073358 1017943437 /nfs/dbraw/zinc/94/34/37/1017943437.db2.gz ICSBKVUTQFPURQ-UHFFFAOYSA-N -1 0 322.317 -0.019 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1ccccc1-n1nccn1 ZINC001602069458 1017943699 /nfs/dbraw/zinc/94/36/99/1017943699.db2.gz INCNFTDOZCFDSP-UHFFFAOYSA-N -1 0 318.293 -0.410 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(C2OCCO2)cc1 ZINC001602070184 1017943904 /nfs/dbraw/zinc/94/39/04/1017943904.db2.gz YBJHCMHHLYVZJG-UHFFFAOYSA-N -1 0 308.290 -0.337 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(-n2ccnn2)cc1 ZINC001602070321 1017944111 /nfs/dbraw/zinc/94/41/11/1017944111.db2.gz PGVBRJLYHOJFJV-UHFFFAOYSA-N -1 0 304.262 -0.375 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1CCCN1c1nccs1 ZINC001602070675 1017944409 /nfs/dbraw/zinc/94/44/09/1017944409.db2.gz STJQYQQASDJWAS-MRVPVSSYSA-N -1 0 313.335 -0.144 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1coc(C2CCOCC2)n1 ZINC001602070394 1017944568 /nfs/dbraw/zinc/94/45/68/1017944568.db2.gz YPHADJLYOKVWRG-UHFFFAOYSA-N -1 0 312.278 -0.074 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C[C@H]2CC(=O)N2)cc1 ZINC001602073589 1017945100 /nfs/dbraw/zinc/94/51/00/1017945100.db2.gz RDJMHKQDUDLZED-JTQLQIEISA-N -1 0 305.290 -0.282 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(Cn2cncn2)cc1 ZINC001602070150 1017945574 /nfs/dbraw/zinc/94/55/74/1017945574.db2.gz VYXRHTBJDQPZSI-UHFFFAOYSA-N -1 0 317.305 -0.743 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)Nn2cnnc2)cc1 ZINC001602072419 1017945599 /nfs/dbraw/zinc/94/55/99/1017945599.db2.gz FEOCICNZMZTBJW-UHFFFAOYSA-N -1 0 318.293 -0.203 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccc(-n2ccnn2)c1 ZINC001602070154 1017945806 /nfs/dbraw/zinc/94/58/06/1017945806.db2.gz WDLJONLXCHFTQJ-UHFFFAOYSA-N -1 0 303.278 -0.802 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1c[nH]c(=O)cc1C(F)(F)F ZINC001602070075 1017946083 /nfs/dbraw/zinc/94/60/83/1017946083.db2.gz QEZZMIMFMXCKEX-UHFFFAOYSA-N -1 0 321.211 -0.263 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2)cc1 ZINC001602072386 1017946329 /nfs/dbraw/zinc/94/63/29/1017946329.db2.gz CJOOHRSBTNAXIU-NSHDSACASA-N -1 0 319.317 -0.353 20 0 DBADRM O=C([O-])COCC(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001602076365 1017947430 /nfs/dbraw/zinc/94/74/30/1017947430.db2.gz WLRQUYOBBLATEC-ZETCQYMHSA-N -1 0 312.244 -0.385 20 0 DBADRM O=C([O-])COCCNC(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001602078935 1017948053 /nfs/dbraw/zinc/94/80/53/1017948053.db2.gz ZJQIOCDQOXDCHW-UHFFFAOYSA-N -1 0 320.367 -0.838 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1ccc(Cl)cn1 ZINC001602077814 1017949583 /nfs/dbraw/zinc/94/95/83/1017949583.db2.gz LCZSYMFDAWGFBB-UHFFFAOYSA-N -1 0 301.686 -0.109 20 0 DBADRM O=C([O-])COCC(=O)Nc1ccc(-n2c(=O)[nH][nH]c2=O)cc1 ZINC001602078528 1017949954 /nfs/dbraw/zinc/94/99/54/1017949954.db2.gz ZKOQYMJELCILFV-UHFFFAOYSA-N -1 0 308.250 -0.282 20 0 DBADRM O=C([O-])COC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 ZINC001602077114 1017950525 /nfs/dbraw/zinc/95/05/25/1017950525.db2.gz MRGLEUNIMRXARA-UHFFFAOYSA-N -1 0 302.304 -0.377 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]2O)cc1 ZINC001602089488 1017951606 /nfs/dbraw/zinc/95/16/06/1017951606.db2.gz JCYOWRUBICTIPY-GHMZBOCLSA-N -1 0 301.320 -0.048 20 0 DBADRM O=C([O-])Cc1cccc(C(=O)N2CC3(C2)C[C@H](O)CNC3=O)c1 ZINC001602133282 1017955537 /nfs/dbraw/zinc/95/55/37/1017955537.db2.gz WZIXMBBHLPCCFD-LBPRGKRZSA-N -1 0 318.329 -0.363 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)NC[C@@H]2COCCO2)cc1 ZINC001602122704 1017955566 /nfs/dbraw/zinc/95/55/66/1017955566.db2.gz XXKKFQWPULARAN-GFCCVEGCSA-N -1 0 322.317 -0.216 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)cc1 ZINC001602122196 1017955681 /nfs/dbraw/zinc/95/56/81/1017955681.db2.gz MGGLFNYXYIKYQZ-NWDGAFQWSA-N -1 0 322.317 -0.794 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)C1 ZINC001602108677 1017955982 /nfs/dbraw/zinc/95/59/82/1017955982.db2.gz FKXOAKKSYUXKPB-OZWUEAAUSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])Cc1ccc(CNC(=O)C[C@@H]2CC(=O)NC2=O)cc1 ZINC001602118479 1017956494 /nfs/dbraw/zinc/95/64/94/1017956494.db2.gz GSQRQGYPAMCTHX-LLVKDONJSA-N -1 0 304.302 -0.017 20 0 DBADRM O=C([O-])CSCCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001602100548 1017957557 /nfs/dbraw/zinc/95/75/57/1017957557.db2.gz XXJSYQCUXCOICV-UHFFFAOYSA-N -1 0 314.367 -0.685 20 0 DBADRM O=C([O-])CSCCNC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001602100254 1017958076 /nfs/dbraw/zinc/95/80/76/1017958076.db2.gz CQSBNGCUCNTPRF-RKDXNWHRSA-N -1 0 300.340 -0.479 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)c2nc3n(n2)CCCN3)n1 ZINC001602140791 1017959058 /nfs/dbraw/zinc/95/90/58/1017959058.db2.gz BNYBIOSWXWZFDG-UHFFFAOYSA-N -1 0 302.294 -0.374 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)CN2CCc3nn[nH]c3C2)n1 ZINC001602150231 1017959446 /nfs/dbraw/zinc/95/94/46/1017959446.db2.gz ABXNOWLTJUBOIF-UHFFFAOYSA-N -1 0 322.350 -0.115 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)c1 ZINC001602143355 1017960493 /nfs/dbraw/zinc/96/04/93/1017960493.db2.gz PLZKWJBJIIRAHN-VXGBXAGGSA-N -1 0 315.347 -0.258 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)Cn2c(=O)oc3ccccc32)n[nH]1 ZINC001602153595 1017960564 /nfs/dbraw/zinc/96/05/64/1017960564.db2.gz DEHOKNHSPUFLOZ-UHFFFAOYSA-N -1 0 317.261 -0.022 20 0 DBADRM O=C([O-])Cc1occc1C(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001602155686 1017960608 /nfs/dbraw/zinc/96/06/08/1017960608.db2.gz QUIHVGVMHDWESH-GFCCVEGCSA-N -1 0 317.319 -0.814 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)CC(=O)NCC(F)(F)F)n[nH]1 ZINC001602154833 1017961217 /nfs/dbraw/zinc/96/12/17/1017961217.db2.gz SJWGEODDKZFGFD-UHFFFAOYSA-N -1 0 309.204 -0.561 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)C(=O)NCc2ccc(F)cc2)n[nH]1 ZINC001602155024 1017961532 /nfs/dbraw/zinc/96/15/32/1017961532.db2.gz YWIVUCFTIHYEJY-UHFFFAOYSA-N -1 0 321.268 -0.174 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NCC(F)(F)CO)c1 ZINC001602136604 1017962424 /nfs/dbraw/zinc/96/24/24/1017962424.db2.gz MZCFBROCXKGXKH-UHFFFAOYSA-N -1 0 316.260 -0.004 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)CCCN2C(=O)CCC2=O)n[nH]1 ZINC001602153580 1017962486 /nfs/dbraw/zinc/96/24/86/1017962486.db2.gz CBSJVNBZNOGFMR-UHFFFAOYSA-N -1 0 309.282 -0.701 20 0 DBADRM O=C([O-])Cn1cc(CCCOC(=O)Cc2cncnc2)nn1 ZINC001602159324 1017963092 /nfs/dbraw/zinc/96/30/92/1017963092.db2.gz JZCHUBOBGAPLEK-UHFFFAOYSA-N -1 0 305.294 -0.129 20 0 DBADRM O=C([O-])Cn1c(=O)oc2cc(S(=O)(=O)CCO)ccc21 ZINC001602160489 1017963577 /nfs/dbraw/zinc/96/35/77/1017963577.db2.gz VNKQHSVDFPWZIZ-UHFFFAOYSA-N -1 0 301.276 -0.555 20 0 DBADRM O=C([O-])Cn1cc(CN2CC[C@H](CN3CCCC3=O)C2)nn1 ZINC001602160908 1017963629 /nfs/dbraw/zinc/96/36/29/1017963629.db2.gz HPBICKMCJLTZRZ-NSHDSACASA-N -1 0 307.354 -0.193 20 0 DBADRM O=C([O-])Cn1cc(CCn2c(=O)onc2-c2ccncc2)nn1 ZINC001602160836 1017965014 /nfs/dbraw/zinc/96/50/14/1017965014.db2.gz GNCAFNLXCINSBI-UHFFFAOYSA-N -1 0 316.277 -0.183 20 0 DBADRM O=C([O-])Cn1cc(CCCOC(=O)CN2CCOCC2)nn1 ZINC001602159313 1017965793 /nfs/dbraw/zinc/96/57/93/1017965793.db2.gz JOGIZEAMVSZZPL-UHFFFAOYSA-N -1 0 312.326 -0.829 20 0 DBADRM O=C([O-])Cn1cc(CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)nn1 ZINC001602162938 1017966409 /nfs/dbraw/zinc/96/64/09/1017966409.db2.gz PGHAVVQGRIQTDQ-NXEZZACHSA-N -1 0 314.367 -0.771 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC(n3ccnc3)C2)cn1 ZINC001602163571 1017968674 /nfs/dbraw/zinc/96/86/74/1017968674.db2.gz LLDMDYDQOQZWTO-UHFFFAOYSA-N -1 0 311.323 -0.590 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(C[C@@H]1C[C@H]3COC[C@H]3O1)c2=O ZINC001602167448 1017969247 /nfs/dbraw/zinc/96/92/47/1017969247.db2.gz RRGVXBOEMXYAGW-ATZCPNFKSA-N -1 0 320.305 -0.519 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CCn1ccccc1=O)c2=O ZINC001602166891 1017970335 /nfs/dbraw/zinc/97/03/35/1017970335.db2.gz CAOUKRUWSICWMJ-UHFFFAOYSA-N -1 0 315.289 -0.461 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001602191899 1017972319 /nfs/dbraw/zinc/97/23/19/1017972319.db2.gz XAMUMGIWQMSPHU-AEJSXWLSSA-N -1 0 305.352 -0.752 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cc2c([nH]c1=O)CCC[C@H]2O ZINC001602190987 1017972349 /nfs/dbraw/zinc/97/23/49/1017972349.db2.gz VNTOVUHASGOVNN-VSYUYLJXSA-N -1 0 322.317 -0.183 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCCN2CCNC2=O)C1 ZINC001602181067 1017972689 /nfs/dbraw/zinc/97/26/89/1017972689.db2.gz YEVIPIDQEXQWRN-BDAKNGLRSA-N -1 0 305.356 -0.816 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CCS(=O)(=O)C1CCCC1 ZINC001602191451 1017973494 /nfs/dbraw/zinc/97/34/94/1017973494.db2.gz OAAAKUWVYFXTNX-KOLCDFICSA-N -1 0 319.379 -0.220 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC[C@H](CO)[C@H]2CCOC2)C1 ZINC001602180760 1017974148 /nfs/dbraw/zinc/97/41/48/1017974148.db2.gz SLZPGWVHZIAFGF-KXNHARMFSA-N -1 0 321.395 -0.196 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001602192840 1017974302 /nfs/dbraw/zinc/97/43/02/1017974302.db2.gz YMCRNIRCUZDSRY-WISYIIOYSA-N -1 0 319.379 -0.206 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCN(c3nc[nH]n3)CC2)C1 ZINC001602191541 1017974710 /nfs/dbraw/zinc/97/47/10/1017974710.db2.gz MXUNJNTVCOHDBV-WDEREUQCSA-N -1 0 323.353 -0.277 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)C1 ZINC001602191991 1017974896 /nfs/dbraw/zinc/97/48/96/1017974896.db2.gz ZXOPYCDTZCZLKT-YTWPOYAVSA-N -1 0 301.364 -0.012 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N([C@@H]2CCN(CC(F)F)C2)C1=O ZINC001602199608 1017975383 /nfs/dbraw/zinc/97/53/83/1017975383.db2.gz HZZSLFDMOQNRDF-FDDDBJFASA-N -1 0 317.292 -0.033 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CCC(=O)N3CCC(O)CC3)C[C@@H]21 ZINC001602206485 1017976095 /nfs/dbraw/zinc/97/60/95/1017976095.db2.gz FTBNZGDKJPNANA-YABSGUDNSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cnc2n1CCCC2 ZINC001602203399 1017976379 /nfs/dbraw/zinc/97/63/79/1017976379.db2.gz AVVHPJGBGKJPQQ-GZMMTYOYSA-N -1 0 315.351 -0.260 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N([C@H]2CCOC23CCOCC3)C1=O ZINC001602200036 1017976523 /nfs/dbraw/zinc/97/65/23/1017976523.db2.gz NHBKVFNLICOWPI-CHWFTXMASA-N -1 0 324.333 -0.034 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2 ZINC001602200923 1017977258 /nfs/dbraw/zinc/97/72/58/1017977258.db2.gz FNMPCLOOYRABFE-NZHYYXIDSA-N -1 0 305.352 -0.285 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)N[C@@H]3CCc4nnnn4CC3)C[C@@H]21 ZINC001602205564 1017977281 /nfs/dbraw/zinc/97/72/81/1017977281.db2.gz QXLZWEMAKFUIEJ-REIXXSIJSA-N -1 0 306.326 -0.650 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CC[C@H](n3cncn3)C2)C1 ZINC001602222143 1017981404 /nfs/dbraw/zinc/98/14/04/1017981404.db2.gz YMDPTVQPXVABBM-LPEHRKFASA-N -1 0 300.340 -0.282 20 0 DBADRM O=C([O-])c1c[nH]c(=O)c(NC(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC001602233357 1017981627 /nfs/dbraw/zinc/98/16/27/1017981627.db2.gz BPJPSTPJRZXJIE-ZCFIWIBFSA-N -1 0 300.292 -0.141 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN(CCn3cncn3)CC2)on1 ZINC001602244281 1017981907 /nfs/dbraw/zinc/98/19/07/1017981907.db2.gz VMIBWRMPYLDDMT-UHFFFAOYSA-N -1 0 320.309 -0.578 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC001602222096 1017981939 /nfs/dbraw/zinc/98/19/39/1017981939.db2.gz XHAUVIQGIDWBSS-MXWKQRLJSA-N -1 0 304.368 -0.804 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CC[C@@H](n3cncn3)C2)C1 ZINC001602222142 1017982421 /nfs/dbraw/zinc/98/24/21/1017982421.db2.gz YMDPTVQPXVABBM-BBBLOLIVSA-N -1 0 300.340 -0.282 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)on1 ZINC001602243990 1017982807 /nfs/dbraw/zinc/98/28/07/1017982807.db2.gz DOOJMMXCRMEVPW-SECBINFHSA-N -1 0 321.293 -0.066 20 0 DBADRM O=C([O-])c1c(F)cccc1S(=O)(=O)N1C[C@H](O)[C@H](CO)C1 ZINC001602230440 1017982930 /nfs/dbraw/zinc/98/29/30/1017982930.db2.gz TYUSXMMVWWOTEB-CBAPKCEASA-N -1 0 319.310 -0.502 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)no1 ZINC001602245444 1017983038 /nfs/dbraw/zinc/98/30/38/1017983038.db2.gz PBFZAXWEILWXSG-SECBINFHSA-N -1 0 321.293 -0.066 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)n[nH]1 ZINC001602291577 1017984482 /nfs/dbraw/zinc/98/44/82/1017984482.db2.gz VKIYJOUZSCPAEA-UHFFFAOYSA-N -1 0 314.323 -0.897 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H](O)[C@@H]2CCCO2)c[nH]1 ZINC001602294680 1017984810 /nfs/dbraw/zinc/98/48/10/1017984810.db2.gz WTUWNWJVQZDDRS-UWVGGRQHSA-N -1 0 304.324 -0.469 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCc3n[nH]c(=O)cc3C2)c[nH]1 ZINC001602292470 1017985060 /nfs/dbraw/zinc/98/50/60/1017985060.db2.gz OZGDEDKIXNBVSY-UHFFFAOYSA-N -1 0 324.318 -0.045 20 0 DBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c1F ZINC001602272686 1017985851 /nfs/dbraw/zinc/98/58/51/1017985851.db2.gz CYQCHSXMDFCTSH-YUMQZZPRSA-N -1 0 323.273 -0.611 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@]23CCOC3=O)n[nH]1 ZINC001602292167 1017986320 /nfs/dbraw/zinc/98/63/20/1017986320.db2.gz VTSYHUYIYAIOON-LLVKDONJSA-N -1 0 315.307 -0.422 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@H](n3cncn3)C2)on1 ZINC001602289137 1017986341 /nfs/dbraw/zinc/98/63/41/1017986341.db2.gz BNLBIVIUDMRBFO-ZETCQYMHSA-N -1 0 313.295 -0.400 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CC[C@H](Nc3ncccn3)C2)n1 ZINC001602313596 1017988745 /nfs/dbraw/zinc/98/87/45/1017988745.db2.gz USXIHLBDOXDQIX-JTQLQIEISA-N -1 0 316.321 -0.125 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CCN(c3ncccn3)CC2)n1 ZINC001602313445 1017989112 /nfs/dbraw/zinc/98/91/12/1017989112.db2.gz IRHLBSFUKXFHAW-UHFFFAOYSA-N -1 0 316.321 -0.489 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCCN2CCOCC2)n[nH]1 ZINC001602295843 1017990379 /nfs/dbraw/zinc/99/03/79/1017990379.db2.gz ZKPDPDVSHPRLHK-UHFFFAOYSA-N -1 0 318.355 -0.892 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N2CC(N3CCOCC3)C2)cn1 ZINC001602332827 1017991108 /nfs/dbraw/zinc/99/11/08/1017991108.db2.gz IAKVCSZKHXXYQY-UHFFFAOYSA-N -1 0 305.334 -0.135 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@@]23COC(=O)N2CCOC3)[nH]1 ZINC001602321722 1017991482 /nfs/dbraw/zinc/99/14/82/1017991482.db2.gz IVSWRVWZYNQXHP-CYBMUJFWSA-N -1 0 309.278 -0.336 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)N2C[C@H](O)[C@@H](CO)C2)s1 ZINC001602342028 1017991935 /nfs/dbraw/zinc/99/19/35/1017991935.db2.gz ZZYWSROZEAKCRD-APPZFPTMSA-N -1 0 300.336 -0.059 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)N2C[C@H](O)[C@H](CO)C2)s1 ZINC001602342045 1017992311 /nfs/dbraw/zinc/99/23/11/1017992311.db2.gz ZZYWSROZEAKCRD-CBAPKCEASA-N -1 0 300.336 -0.059 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCCn3nncc3C2)cn1 ZINC001602394522 1017993676 /nfs/dbraw/zinc/99/36/76/1017993676.db2.gz BMNXRXLEHCKLDL-UHFFFAOYSA-N -1 0 323.334 -0.034 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)n1 ZINC001602431810 1017995341 /nfs/dbraw/zinc/99/53/41/1017995341.db2.gz WGLWTBZNGTWXCU-NEPJUHHUSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001602417467 1017995713 /nfs/dbraw/zinc/99/57/13/1017995713.db2.gz ZZCYTMSVCINHGG-MGPQQGTHSA-N -1 0 319.313 -0.313 20 0 DBADRM O=C([O-])c1ccc2c(=O)[nH]c(CN3C[C@H](O)[C@H](CO)C3)nc2c1 ZINC001602417954 1017995970 /nfs/dbraw/zinc/99/59/70/1017995970.db2.gz PFICXCVMTIVVIK-CABZTGNLSA-N -1 0 319.317 -0.181 20 0 DBADRM O=C([O-])c1ccc2[nH]c(CN3CCN(C(=O)CO)CC3)nc2c1 ZINC001602406876 1017996763 /nfs/dbraw/zinc/99/67/63/1017996763.db2.gz PLRCEZVYNLNXFU-UHFFFAOYSA-N -1 0 318.333 -0.102 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N(CCOCCO)C2CCC2)n1 ZINC001602477056 1017999099 /nfs/dbraw/zinc/99/90/99/1017999099.db2.gz XUCBQEYLRRGNEB-UHFFFAOYSA-N -1 0 311.338 -0.029 20 0 DBADRM O=C([O-])c1ccccc1C(=O)NCc1nnc2n1CCNC2=O ZINC001602464296 1018000076 /nfs/dbraw/zinc/00/00/76/1018000076.db2.gz AWSTWUYVAWZNRX-UHFFFAOYSA-N -1 0 315.289 -0.350 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CC(F)(F)C[C@H]2CO)c1=O ZINC001602476820 1018000229 /nfs/dbraw/zinc/00/02/29/1018000229.db2.gz YIASHCNUWFHTPM-QMMMGPOBSA-N -1 0 316.260 -0.225 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c1=O ZINC001602475694 1018000456 /nfs/dbraw/zinc/00/04/56/1018000456.db2.gz JMQWBHNSODAWOG-SYLNSOGPSA-N -1 0 310.331 -0.722 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CC[C@H](c3ncon3)C2)c1=O ZINC001602475589 1018000846 /nfs/dbraw/zinc/00/08/46/1018000846.db2.gz KDUHJYFDYZJTGJ-VIFPVBQESA-N -1 0 318.289 -0.054 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)NCCS(=O)(=O)C1CC1 ZINC001602487870 1018001264 /nfs/dbraw/zinc/00/12/64/1018001264.db2.gz HUMSGJWJBSQGJE-UHFFFAOYSA-N -1 0 323.348 -0.167 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)N2CCN(C(=O)CO)CC2)c1 ZINC001602482308 1018002395 /nfs/dbraw/zinc/00/23/95/1018002395.db2.gz GEHSHNIUKKLHHI-UHFFFAOYSA-N -1 0 308.294 -0.552 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N1CC(=O)N(C2CC2)C1 ZINC001602488342 1018002886 /nfs/dbraw/zinc/00/28/86/1018002886.db2.gz WFIHZGQHTAJGRM-UHFFFAOYSA-N -1 0 300.292 -0.069 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NC[C@@H](O)[C@@H]2CCCO2)c1 ZINC001602484876 1018003037 /nfs/dbraw/zinc/00/30/37/1018003037.db2.gz RWEPRTQQYNBVRZ-ZJUUUORDSA-N -1 0 316.335 -0.402 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)NC[C@H]1CN2CCN1CC2 ZINC001602489055 1018003053 /nfs/dbraw/zinc/00/30/53/1018003053.db2.gz QISVIVZQVDZBNO-VIFPVBQESA-N -1 0 315.351 -0.744 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)NCc3cc[nH]n3)C2)nn1 ZINC001602499151 1018004061 /nfs/dbraw/zinc/00/40/61/1018004061.db2.gz NPFQDRLPJIZKTI-SECBINFHSA-N -1 0 305.298 -0.144 20 0 DBADRM O=C([O-])c1cn(C2CN(S(=O)(=O)CC3(F)CC3)C2)nn1 ZINC001602501425 1018004095 /nfs/dbraw/zinc/00/40/95/1018004095.db2.gz HDCREVGRXFYFFL-UHFFFAOYSA-N -1 0 304.303 -0.335 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C[C@@H]3CCCS3(=O)=O)C2)nn1 ZINC001602498258 1018004303 /nfs/dbraw/zinc/00/43/03/1018004303.db2.gz KRSBMMXVRBOOBZ-ZJUUUORDSA-N -1 0 314.367 -0.200 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)CCc3cn[nH]n3)C2)nn1 ZINC001602494061 1018004613 /nfs/dbraw/zinc/00/46/13/1018004613.db2.gz QHQIUONAEUKNLD-JTQLQIEISA-N -1 0 319.325 -0.109 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)NCc3cccnn3)C2)nn1 ZINC001602500203 1018006027 /nfs/dbraw/zinc/00/60/27/1018006027.db2.gz WEULFOCFCMZETL-SNVBAGLBSA-N -1 0 317.309 -0.077 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)nn1 ZINC001602500938 1018006498 /nfs/dbraw/zinc/00/64/98/1018006498.db2.gz BASBRBIPBYRMMG-RKDXNWHRSA-N -1 0 302.294 -0.114 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCO[C@@]3(CCCOC3)C2)nn1 ZINC001602504309 1018007098 /nfs/dbraw/zinc/00/70/98/1018007098.db2.gz PADYJMIUEMRUAT-ZDUSSCGKSA-N -1 0 310.310 -0.616 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3n[nH]c4c3CCC4)C2)nn1 ZINC001602502380 1018007201 /nfs/dbraw/zinc/00/72/01/1018007201.db2.gz VXFQNEXDGYLSOC-UHFFFAOYSA-N -1 0 302.294 -0.115 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@H]2CCc3nccn3C2)nn1 ZINC001602503691 1018007267 /nfs/dbraw/zinc/00/72/67/1018007267.db2.gz QENFEAKNQCUBIF-VIFPVBQESA-N -1 0 304.310 -0.448 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCc3n[nH]c(=O)cc3C2)nn1 ZINC001602504063 1018007314 /nfs/dbraw/zinc/00/73/14/1018007314.db2.gz IBIXVUIFGSELMB-UHFFFAOYSA-N -1 0 304.266 -0.943 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)nn1 ZINC001602502516 1018007645 /nfs/dbraw/zinc/00/76/45/1018007645.db2.gz FOGMKMJGPVYYAK-KRNBLGIKSA-N -1 0 312.351 -0.512 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)COCc3ccncc3)C2)nn1 ZINC001602502343 1018008130 /nfs/dbraw/zinc/00/81/30/1018008130.db2.gz YHSYQQAKPDJMQF-UHFFFAOYSA-N -1 0 317.305 -0.029 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@@H]2CCc3nccn3C2)nn1 ZINC001602503690 1018008189 /nfs/dbraw/zinc/00/81/89/1018008189.db2.gz QENFEAKNQCUBIF-SECBINFHSA-N -1 0 304.310 -0.448 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2C[C@@H](O)CC(F)(F)C2)nn1 ZINC001602503854 1018008752 /nfs/dbraw/zinc/00/87/52/1018008752.db2.gz XJECVECONDWILR-ZETCQYMHSA-N -1 0 319.268 -0.612 20 0 DBADRM O=C([O-])c1cnc(C(=O)NC[C@H]2COC3(CCOCC3)O2)cn1 ZINC001602508318 1018009688 /nfs/dbraw/zinc/00/96/88/1018009688.db2.gz ZCAOCEYXHXYFQC-VIFPVBQESA-N -1 0 323.305 -0.173 20 0 DBADRM O=C([O-])c1cn([C@@H]2COC[C@H]2OC(=O)[C@H]2C[C@]23CCOC3)nn1 ZINC001602506028 1018009868 /nfs/dbraw/zinc/00/98/68/1018009868.db2.gz BRBTWGZRCPZRSX-PYUPQCDSSA-N -1 0 323.305 -0.114 20 0 DBADRM O=C([O-])c1cnc(CN2C(=O)c3cccnc3S2(=O)=O)cn1 ZINC001602519801 1018010303 /nfs/dbraw/zinc/01/03/03/1018010303.db2.gz VDQOIWICGMZECG-UHFFFAOYSA-N -1 0 320.286 -0.086 20 0 DBADRM O=C([O-])c1cn(CCOC(=O)c2noc3c2COCC3)nn1 ZINC001602504547 1018010368 /nfs/dbraw/zinc/01/03/68/1018010368.db2.gz LFKDIURBELMBOW-UHFFFAOYSA-N -1 0 308.250 -0.106 20 0 DBADRM O=C([O-])c1cn(CN2CCS(=O)(=O)C[C@H]2C2CCC2)nn1 ZINC001602505065 1018011955 /nfs/dbraw/zinc/01/19/55/1018011955.db2.gz GJFAQOJKOYYXNP-NSHDSACASA-N -1 0 314.367 -0.167 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)c3ccn[nH]3)C2)nc1 ZINC001602527680 1018012844 /nfs/dbraw/zinc/01/28/44/1018012844.db2.gz AEUBRTYJNIEBNJ-VIFPVBQESA-N -1 0 302.294 -0.093 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)c3cn[nH]c3)C2)nc1 ZINC001602527112 1018012890 /nfs/dbraw/zinc/01/28/90/1018012890.db2.gz MCGMGOHZNVPRDV-SNVBAGLBSA-N -1 0 302.294 -0.093 20 0 DBADRM O=C([O-])c1cnc(NCCNC(=O)c2cc[n+]([O-])cc2)nc1 ZINC001602531944 1018013167 /nfs/dbraw/zinc/01/31/67/1018013167.db2.gz JWNVYTJLZMXZIP-UHFFFAOYSA-N -1 0 303.278 -0.350 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)c3ccnnc3)CC2)nc1 ZINC001602527357 1018013364 /nfs/dbraw/zinc/01/33/64/1018013364.db2.gz PWLIGYNFUVHISK-UHFFFAOYSA-N -1 0 314.305 -0.073 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)[C@H]2CCCCO2)nc1 ZINC001602531255 1018013588 /nfs/dbraw/zinc/01/35/88/1018013588.db2.gz WSYHZWDXRWJILY-WDEREUQCSA-N -1 0 324.337 -0.367 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)nc1 ZINC001602528018 1018013918 /nfs/dbraw/zinc/01/39/18/1018013918.db2.gz OPWHNEYDBWXOKV-QWRGUYRKSA-N -1 0 322.321 -0.715 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)[C@]23C[C@H]2COC3)nc1 ZINC001602529298 1018014338 /nfs/dbraw/zinc/01/43/38/1018014338.db2.gz DTRDWISMPWTGEH-BHDSKKPTSA-N -1 0 322.321 -0.900 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)c1 ZINC001602544891 1018016420 /nfs/dbraw/zinc/01/64/20/1018016420.db2.gz GWZICSWFZVNTKG-JQWIXIFHSA-N -1 0 322.321 -0.913 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)C3CC3)[C@@H](O)C2)n1 ZINC001602572049 1018018173 /nfs/dbraw/zinc/01/81/73/1018018173.db2.gz KPJJNAKZCBOHBN-UWVGGRQHSA-N -1 0 306.322 -0.359 20 0 DBADRM O=C([O-])c1nccc(N2CCCN(C(=O)c3cn[nH]n3)CC2)n1 ZINC001602571458 1018018419 /nfs/dbraw/zinc/01/84/19/1018018419.db2.gz BUEPHXOKOVRALP-UHFFFAOYSA-N -1 0 317.309 -0.355 20 0 DBADRM O=C([O-])c1nc(Cl)n(CC(=O)[C@H]2CCS(=O)(=O)C2)n1 ZINC001602569507 1018019079 /nfs/dbraw/zinc/01/90/79/1018019079.db2.gz IEEIEAVAGSKDGR-YFKPBYRVSA-N -1 0 307.715 -0.367 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)[C@H]2CC23CC3)n1 ZINC001602575314 1018019833 /nfs/dbraw/zinc/01/98/33/1018019833.db2.gz ZYUMCUWVEXFEPT-DTWKUNHWSA-N -1 0 306.322 -0.714 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N1CCC(CO)(CO)C1 ZINC001602577842 1018019942 /nfs/dbraw/zinc/01/99/42/1018019942.db2.gz NJVSTRPUMCNUPX-UHFFFAOYSA-N -1 0 316.335 -0.855 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)[C@H]2CC23CC3)n1 ZINC001602575465 1018020165 /nfs/dbraw/zinc/02/01/65/1018020165.db2.gz YJAJVHDCXSEOEK-DTWKUNHWSA-N -1 0 306.322 -0.714 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001602577142 1018020487 /nfs/dbraw/zinc/02/04/87/1018020487.db2.gz GPVIACYKHVUDDK-BDAKNGLRSA-N -1 0 316.335 -0.856 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)c2ccco2)n1 ZINC001602575526 1018020953 /nfs/dbraw/zinc/02/09/53/1018020953.db2.gz ZONQNHJUTIDSHD-MRVPVSSYSA-N -1 0 306.278 -0.608 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)c3cnns3)C2)n1 ZINC001602576130 1018021005 /nfs/dbraw/zinc/02/10/05/1018021005.db2.gz NIJKXBSVVCUZLB-SSDOTTSWSA-N -1 0 320.334 -0.225 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)Cc3ccon3)C2)n1 ZINC001602575513 1018021291 /nfs/dbraw/zinc/02/12/91/1018021291.db2.gz ZJNUEQPLDMLQPB-SNVBAGLBSA-N -1 0 317.305 -0.160 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)[C@H]2CC23CCC3)n1 ZINC001602575428 1018021365 /nfs/dbraw/zinc/02/13/65/1018021365.db2.gz XPYJLPADFLUGSU-VHSXEESVSA-N -1 0 320.349 -0.324 20 0 DBADRM O=C([O-])c1nccc(NC2CCN(C(=O)c3cn[nH]n3)CC2)n1 ZINC001602575536 1018021509 /nfs/dbraw/zinc/02/15/09/1018021509.db2.gz ZUJHZSWEHYYESW-UHFFFAOYSA-N -1 0 317.309 -0.569 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NC[C@@H]1COCCN1 ZINC001602588592 1018022056 /nfs/dbraw/zinc/02/20/56/1018022056.db2.gz BWSMHEHUDNDBDL-ZCFIWIBFSA-N -1 0 307.353 -0.892 20 0 DBADRM O=C([O-])c1nccnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001602581528 1018022283 /nfs/dbraw/zinc/02/22/83/1018022283.db2.gz WSQPOVSYQWQBHJ-UHFFFAOYSA-N -1 0 321.337 -0.251 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1CC(=O)N(C2CC2)C1 ZINC001602587137 1018022480 /nfs/dbraw/zinc/02/24/80/1018022480.db2.gz UMSKMPXGSFIRBK-UHFFFAOYSA-N -1 0 317.348 -0.206 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001602582118 1018022565 /nfs/dbraw/zinc/02/25/65/1018022565.db2.gz DXAMVHGGJDRKRE-SSDOTTSWSA-N -1 0 322.277 -0.932 20 0 DBADRM O=C([O-])c1sccc1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001602594398 1018022683 /nfs/dbraw/zinc/02/26/83/1018022683.db2.gz APKTZNMOTFYZGE-ZETCQYMHSA-N -1 0 309.303 -0.178 20 0 DBADRM O=C([O-])c1sccc1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001602594397 1018023203 /nfs/dbraw/zinc/02/32/03/1018023203.db2.gz APKTZNMOTFYZGE-SSDOTTSWSA-N -1 0 309.303 -0.178 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CC[C@H](O)[C@H](F)C1 ZINC001602585109 1018023301 /nfs/dbraw/zinc/02/33/01/1018023301.db2.gz OOVCJTJXMGKNFG-SFYZADRCSA-N -1 0 302.258 -0.179 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001602581217 1018023365 /nfs/dbraw/zinc/02/33/65/1018023365.db2.gz PQKCEXOABBMFTN-VHSXEESVSA-N -1 0 312.322 -0.245 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CC[C@H](O)[C@@H](F)C1 ZINC001602585110 1018023429 /nfs/dbraw/zinc/02/34/29/1018023429.db2.gz OOVCJTJXMGKNFG-YUMQZZPRSA-N -1 0 302.258 -0.179 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)CCOC1 ZINC001602623649 1018024288 /nfs/dbraw/zinc/02/42/88/1018024288.db2.gz KSHFMIXPRMIVFC-OAHLLOKOSA-N -1 0 321.333 -0.679 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2ccccc2-n2ccnn2)C1 ZINC001602627544 1018024542 /nfs/dbraw/zinc/02/45/42/1018024542.db2.gz YOKJFIBFQARDGY-CQSZACIVSA-N -1 0 302.290 -0.071 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)c3ccc(O)cn3)CC2)CCOC1 ZINC001602626178 1018025910 /nfs/dbraw/zinc/02/59/10/1018025910.db2.gz XJKVLXORRCWBJQ-OAHLLOKOSA-N -1 0 321.333 -0.211 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2cc3cc(F)ccc3[nH]c2=O)C1 ZINC001602623943 1018026322 /nfs/dbraw/zinc/02/63/22/1018026322.db2.gz PKNQIZSXNYSLRA-UHFFFAOYSA-N -1 0 306.249 -0.061 20 0 DBADRM O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC001602633721 1018027531 /nfs/dbraw/zinc/02/75/31/1018027531.db2.gz MZNWHHAVNYFTKB-ZJUUUORDSA-N -1 0 312.322 -0.575 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)C1 ZINC001602636191 1018027609 /nfs/dbraw/zinc/02/76/09/1018027609.db2.gz PCXVPKZTIOMKGF-SNVBAGLBSA-N -1 0 319.317 -0.047 20 0 DBADRM O=C(C[C@H]1CC(=O)NC1=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC001602633719 1018027623 /nfs/dbraw/zinc/02/76/23/1018027623.db2.gz MZNWHHAVNYFTKB-UWVGGRQHSA-N -1 0 312.322 -0.575 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@]2(c3ccccc3)CNC(=O)C2)C1 ZINC001602631969 1018027846 /nfs/dbraw/zinc/02/78/46/1018027846.db2.gz JJERWDAXJLGQSB-HOTGVXAUSA-N -1 0 318.329 -0.508 20 0 DBADRM O=C([O-])c1cc(F)ccc1S(=O)(=O)N[C@@H]1CNC(=O)C1 ZINC001602635217 1018028029 /nfs/dbraw/zinc/02/80/29/1018028029.db2.gz FIPWAVVJRPFOKJ-ZETCQYMHSA-N -1 0 302.283 -0.309 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cncc(N3CCCC3)n2)C1 ZINC001602629569 1018028061 /nfs/dbraw/zinc/02/80/61/1018028061.db2.gz HVBXIKHXRFCSEC-AWEZNQCLSA-N -1 0 306.322 -0.262 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[C@H]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001602631269 1018028210 /nfs/dbraw/zinc/02/82/10/1018028210.db2.gz BMFXJVMWEZUAGX-LDMBFOFVSA-N -1 0 310.350 -0.272 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](S(=O)(=O)N2CC[C@]3(CNC(=O)C3)C2)C1 ZINC001602640129 1018029547 /nfs/dbraw/zinc/02/95/47/1018029547.db2.gz VEWLQHBHXVQIPB-SBMIAAHKSA-N -1 0 302.352 -0.609 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C[C@H]3CCCC(=O)N3)C[C@H]1COCC2 ZINC001602643048 1018030146 /nfs/dbraw/zinc/03/01/46/1018030146.db2.gz JBKYIKZXHOQWEZ-FIXISWKDSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2[C@@H]3CC[C@H]2CNC(=O)C3)CC1 ZINC001602640138 1018030386 /nfs/dbraw/zinc/03/03/86/1018030386.db2.gz VRVSMTASPOTTRV-BDAKNGLRSA-N -1 0 302.352 -0.466 20 0 DBADRM O=C([O-])c1cn([C@@H]2COC[C@H]2OC(=O)[C@@H]2CCC(=O)C2)nn1 ZINC001602639600 1018030753 /nfs/dbraw/zinc/03/07/53/1018030753.db2.gz GHTKUERSKJXCHB-AVPPRXQKSA-N -1 0 309.278 -0.171 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)nn1 ZINC001602642814 1018030842 /nfs/dbraw/zinc/03/08/42/1018030842.db2.gz NYNRWINSVZCXTC-IUCAKERBSA-N -1 0 307.310 -0.724 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1cc2c([nH]c1=O)CCCC2=O ZINC001602645528 1018031026 /nfs/dbraw/zinc/03/10/26/1018031026.db2.gz GRXSDZFKUBVMSQ-RDDDGLTNSA-N -1 0 320.301 -0.034 20 0 DBADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001602649718 1018031343 /nfs/dbraw/zinc/03/13/43/1018031343.db2.gz YDAABKWBXXGCSX-SNVBAGLBSA-N -1 0 323.227 -0.596 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)C1 ZINC001602645898 1018031690 /nfs/dbraw/zinc/03/16/90/1018031690.db2.gz PRQWQXGXWLNMGC-UHFFFAOYSA-N -1 0 306.274 -0.422 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001602644514 1018032026 /nfs/dbraw/zinc/03/20/26/1018032026.db2.gz VNAPYDUAMAEHHA-RKDXNWHRSA-N -1 0 300.311 -0.622 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)nn1 ZINC001602646094 1018032132 /nfs/dbraw/zinc/03/21/32/1018032132.db2.gz YQYFSXNKEBXKNN-SNVBAGLBSA-N -1 0 321.337 -0.192 20 0 DBADRM O=C([O-])c1cc(Cl)ncc1OCC(=O)N1CCNC(=O)C1 ZINC001602649954 1018032580 /nfs/dbraw/zinc/03/25/80/1018032580.db2.gz RDOLJESCWMGUJP-UHFFFAOYSA-N -1 0 313.697 -0.230 20 0 DBADRM O=C([O-])C1(N(C(=O)CN2CCC(=O)NC2=O)C2CC2)CCC1 ZINC001602647025 1018032607 /nfs/dbraw/zinc/03/26/07/1018032607.db2.gz TXIIHJWXMRJWAI-UHFFFAOYSA-N -1 0 309.322 -0.073 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)CC1 ZINC001602651055 1018033474 /nfs/dbraw/zinc/03/34/74/1018033474.db2.gz YJOZINXRYNXAOW-VHSXEESVSA-N -1 0 316.379 -0.076 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CC1 ZINC001602651053 1018034415 /nfs/dbraw/zinc/03/44/15/1018034415.db2.gz YJOZINXRYNXAOW-NXEZZACHSA-N -1 0 316.379 -0.076 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1CCCNC(=O)C1 ZINC001602650954 1018034747 /nfs/dbraw/zinc/03/47/47/1018034747.db2.gz SQSOFHPCJKOCPF-UHFFFAOYSA-N -1 0 305.337 -0.648 20 0 DBADRM O=C([O-])C1(NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC001602652403 1018034796 /nfs/dbraw/zinc/03/47/96/1018034796.db2.gz MFNUCFYVYBSJHW-UHFFFAOYSA-N -1 0 319.273 -0.311 20 0 DBADRM O=C([O-])c1ccc(NC[C@H]2CCC[C@]23NC(=O)NC3=O)nn1 ZINC001602654779 1018035503 /nfs/dbraw/zinc/03/55/03/1018035503.db2.gz DRIKJEPCIHSOGT-UHLUBPPHSA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C1CC1 ZINC001602655758 1018035551 /nfs/dbraw/zinc/03/55/51/1018035551.db2.gz UYDOQKJYIVQBBL-IVZWLZJFSA-N -1 0 309.322 -0.456 20 0 DBADRM O=C([O-])c1cc(NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)ncn1 ZINC001602655178 1018035909 /nfs/dbraw/zinc/03/59/09/1018035909.db2.gz NKSXILMNALRMNM-WPPNPWJKSA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])c1nccnc1NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC001602655514 1018035954 /nfs/dbraw/zinc/03/59/54/1018035954.db2.gz SGIFUXGYEPUYNS-FUXBKTLASA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])c1cccc(CC(=O)N2CC3(C2)NC(=O)NC3=O)c1 ZINC001602655586 1018036491 /nfs/dbraw/zinc/03/64/91/1018036491.db2.gz GBXOADGRMNHVNH-UHFFFAOYSA-N -1 0 303.274 -0.652 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001602656592 1018036534 /nfs/dbraw/zinc/03/65/34/1018036534.db2.gz VNSNKYYAGGSNKN-CWKFCGSDSA-N -1 0 324.255 -0.510 20 0 DBADRM O=C([O-])c1cncnc1NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC001602654800 1018036709 /nfs/dbraw/zinc/03/67/09/1018036709.db2.gz FDWLCICJARXFSV-UHLUBPPHSA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])c1c[nH]c(CN2CC3(C2)NC(=O)NC3=O)c1C1CC1 ZINC001602656657 1018037042 /nfs/dbraw/zinc/03/70/42/1018037042.db2.gz REMIUYNOWFDNJQ-UHFFFAOYSA-N -1 0 304.306 -0.016 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(C)F ZINC001499235572 1018037098 /nfs/dbraw/zinc/03/70/98/1018037098.db2.gz FZMZEUMZGOBYEQ-LURJTMIESA-N -1 0 315.305 -0.345 20 0 DBADRM O=C([O-])C12CCC(CC1)N2S(=O)(=O)CCN1CCOC1=O ZINC001602663429 1018037678 /nfs/dbraw/zinc/03/76/78/1018037678.db2.gz TUMJKUBLBSZVIH-UHFFFAOYSA-N -1 0 318.351 -0.150 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@H]1Cc2ccccc2C(=O)O1 ZINC001602661465 1018038529 /nfs/dbraw/zinc/03/85/29/1018038529.db2.gz QIZGDFZZPSBRCO-OSQNNJELSA-N -1 0 305.286 -0.138 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2CC3(C2)CCNC(=O)O3)c1 ZINC001602659669 1018038722 /nfs/dbraw/zinc/03/87/22/1018038722.db2.gz RBKMQVVBQAJQJY-UHFFFAOYSA-N -1 0 316.291 -0.149 20 0 DBADRM O=C([O-])[C@]1(F)CCN(S(=O)(=O)CCN2CCOC2=O)C1 ZINC001602663368 1018039417 /nfs/dbraw/zinc/03/94/17/1018039417.db2.gz QHKASGDTFJTXOO-JTQLQIEISA-N -1 0 310.303 -0.733 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC001602661784 1018039774 /nfs/dbraw/zinc/03/97/74/1018039774.db2.gz VFYVIJPUEZBQLB-ADEWGFFLSA-N -1 0 305.286 -0.186 20 0 DBADRM O=Cc1c[nH]c2cc(C(=O)NCC(=O)NCC(=O)[O-])ccc12 ZINC001602665009 1018040141 /nfs/dbraw/zinc/04/01/41/1018040141.db2.gz JUDWXSARYGHXTF-UHFFFAOYSA-N -1 0 303.274 -0.089 20 0 DBADRM CCCCC(=O)N[C@@H](CC)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001499248916 1018040708 /nfs/dbraw/zinc/04/07/08/1018040708.db2.gz JTQZMIGBQBXHPB-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM O=Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])co1 ZINC001602664629 1018040617 /nfs/dbraw/zinc/04/06/17/1018040617.db2.gz UMQXVRRSRDIYLF-SECBINFHSA-N -1 0 315.303 -0.194 20 0 DBADRM O=Cc1cccc(OCC(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC001602668018 1018040907 /nfs/dbraw/zinc/04/09/07/1018040907.db2.gz AXVBGKIEBXKLNS-UHFFFAOYSA-N -1 0 318.289 -0.016 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCCCn2cccnc2=O)C1 ZINC001602668757 1018041886 /nfs/dbraw/zinc/04/18/86/1018041886.db2.gz PBTVKHSVUQQAJP-AOOOYVTPSA-N -1 0 315.351 -0.584 20 0 DBADRM CC(=O)N1CCC[C@@H](CNC(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001602745197 1018056289 /nfs/dbraw/zinc/05/62/89/1018056289.db2.gz QQKZOUKCVAWEJA-JTQLQIEISA-N -1 0 309.326 -0.649 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001602745280 1018056493 /nfs/dbraw/zinc/05/64/93/1018056493.db2.gz XSLWGJQDXRQLBN-GFCCVEGCSA-N -1 0 312.322 -0.669 20 0 DBADRM CC(=O)N1CCO[C@@H](C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001602746529 1018056906 /nfs/dbraw/zinc/05/69/06/1018056906.db2.gz KYLQWJGTMZFEPD-CHWSQXEVSA-N -1 0 321.333 -0.559 20 0 DBADRM CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC001602765332 1018059920 /nfs/dbraw/zinc/05/99/20/1018059920.db2.gz LASFZSCSZSPHQA-CQSZACIVSA-N -1 0 323.305 -0.465 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C/Cn1cncn1)[C@H](C)C(=O)[O-] ZINC001602753906 1018060208 /nfs/dbraw/zinc/06/02/08/1018060208.db2.gz VKGVCOLBLSJGMQ-HMDXOVGESA-N -1 0 309.326 -0.728 20 0 DBADRM CC(=O)NCCN(C(=O)CCn1cnccc1=O)[C@@H](C)C(=O)[O-] ZINC001602755785 1018060777 /nfs/dbraw/zinc/06/07/77/1018060777.db2.gz NUHJJNNJONOXSM-JTQLQIEISA-N -1 0 324.337 -0.929 20 0 DBADRM CC(=O)NCCN(C(=O)CCn1cnccc1=O)[C@H](C)C(=O)[O-] ZINC001602755786 1018061491 /nfs/dbraw/zinc/06/14/91/1018061491.db2.gz NUHJJNNJONOXSM-SNVBAGLBSA-N -1 0 324.337 -0.929 20 0 DBADRM C=CC(=O)Nc1ccc(O)c(C(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001602801707 1018065049 /nfs/dbraw/zinc/06/50/49/1018065049.db2.gz TTYANMLWZOKOQZ-UHFFFAOYSA-N -1 0 306.274 -0.212 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001602805438 1018065100 /nfs/dbraw/zinc/06/51/00/1018065100.db2.gz VHUCORQDJZMRJJ-QMMMGPOBSA-N -1 0 301.324 -0.803 20 0 DBADRM CC(C)(CCCO)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001602938724 1018080841 /nfs/dbraw/zinc/08/08/41/1018080841.db2.gz SQOBMMLFHJRPAI-JTQLQIEISA-N -1 0 300.355 -0.166 20 0 DBADRM CC(C)[C@H](CNC(=O)NCC(=O)N=S(C)(C)=O)C(=O)[O-] ZINC001602983413 1018088748 /nfs/dbraw/zinc/08/87/48/1018088748.db2.gz QLRFUMGRPAOQGI-QMMMGPOBSA-N -1 0 307.372 -0.103 20 0 DBADRM CC(=O)NCCOCCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001602946819 1018082750 /nfs/dbraw/zinc/08/27/50/1018082750.db2.gz CDCUDIVEJSAOBM-UHFFFAOYSA-N -1 0 306.330 -0.967 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC001602966076 1018084919 /nfs/dbraw/zinc/08/49/19/1018084919.db2.gz TXEINHJBMPZSLI-MXWKQRLJSA-N -1 0 319.379 -0.242 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001602964228 1018086201 /nfs/dbraw/zinc/08/62/01/1018086201.db2.gz CBXUKVADOAGGDQ-ZWNOBZJWSA-N -1 0 319.379 -0.241 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC001602966083 1018086999 /nfs/dbraw/zinc/08/69/99/1018086999.db2.gz TXUFXSWADKEYCT-NXEZZACHSA-N -1 0 306.384 -0.130 20 0 DBADRM C[C@H](C(=O)N(C)C[C@@H](O)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001602988608 1018088021 /nfs/dbraw/zinc/08/80/21/1018088021.db2.gz LRKZPVCYKBXLSU-VXNVDRBHSA-N -1 0 306.330 -0.752 20 0 DBADRM CC(C)[C@@H](C(=O)OCC(=O)C(=O)[O-])N1CCCS1(=O)=O ZINC001602974579 1018088174 /nfs/dbraw/zinc/08/81/74/1018088174.db2.gz JXOKZLFRHFXUGD-VIFPVBQESA-N -1 0 307.324 -0.757 20 0 DBADRM C[C@@H](C(=O)N(C)C[C@H](O)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001602988606 1018089422 /nfs/dbraw/zinc/08/94/22/1018089422.db2.gz LRKZPVCYKBXLSU-CBAPKCEASA-N -1 0 306.330 -0.752 20 0 DBADRM C[C@@H](C(=O)N(C)[C@H]1CCCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001602990168 1018089722 /nfs/dbraw/zinc/08/97/22/1018089722.db2.gz VZTWHZXUKHTKHM-IUCAKERBSA-N -1 0 306.330 -0.343 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC001602970841 1018091022 /nfs/dbraw/zinc/09/10/22/1018091022.db2.gz WLUSMGZGPJPMFC-KOLCDFICSA-N -1 0 314.338 -0.247 20 0 DBADRM C[C@@H](C(=O)N(C)C[C@@H]1CCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001602989015 1018091447 /nfs/dbraw/zinc/09/14/47/1018091447.db2.gz RADMZFKGADULQY-IUCAKERBSA-N -1 0 306.330 -0.343 20 0 DBADRM C[C@@H](C(=O)NC1(CCO)CCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603007439 1018092833 /nfs/dbraw/zinc/09/28/33/1018092833.db2.gz DSTNVDJAYRBECC-VIFPVBQESA-N -1 0 320.357 -0.169 20 0 DBADRM C[C@H](C(=O)N1CC2(C1)CCCOC2)n1cnc(-c2nnn[n-]2)n1 ZINC001602990360 1018093449 /nfs/dbraw/zinc/09/34/49/1018093449.db2.gz IFBBGBYCRJJHLX-SECBINFHSA-N -1 0 318.341 -0.342 20 0 DBADRM C[C@H](C(=O)N1CCO[C@@H](CCF)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001603003120 1018094441 /nfs/dbraw/zinc/09/44/41/1018094441.db2.gz CQMIYWWXFJNYIB-BDAKNGLRSA-N -1 0 324.320 -0.394 20 0 DBADRM C[C@H](C(=O)N1CCCCC[C@@H]1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001602998685 1018096036 /nfs/dbraw/zinc/09/60/36/1018096036.db2.gz VRZIHQYHZHJZEV-NXEZZACHSA-N -1 0 320.357 -0.217 20 0 DBADRM CC(=O)N1CCC(NC(=O)Cn2nc(C(=O)[O-])ccc2=O)CC1 ZINC001603019154 1018099814 /nfs/dbraw/zinc/09/98/14/1018099814.db2.gz SQUZUXOFXZRYSX-UHFFFAOYSA-N -1 0 322.321 -0.931 20 0 DBADRM C[C@H](C(=O)NCC[C@@H]1CCCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603015242 1018099886 /nfs/dbraw/zinc/09/98/86/1018099886.db2.gz MTVDRENWCNVOCN-ZJUUUORDSA-N -1 0 320.357 -0.048 20 0 DBADRM C[C@@H](C(=O)NCC[C@H]1CCCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603015241 1018101002 /nfs/dbraw/zinc/10/10/02/1018101002.db2.gz MTVDRENWCNVOCN-VHSXEESVSA-N -1 0 320.357 -0.048 20 0 DBADRM C[C@H](C(=O)OC[C@H]1CCCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603032286 1018103328 /nfs/dbraw/zinc/10/33/28/1018103328.db2.gz PHSOROCWKKRVNH-BDAKNGLRSA-N -1 0 307.314 -0.011 20 0 DBADRM CC(=O)N1CCO[C@@H](C(=O)N2CCSC[C@@H]2CC(=O)[O-])C1 ZINC001603026039 1018103670 /nfs/dbraw/zinc/10/36/70/1018103670.db2.gz NZGIZKINGGCTPL-WDEREUQCSA-N -1 0 316.379 -0.348 20 0 DBADRM CC(=O)N1CCO[C@@H](C(=O)N2CCSC[C@H]2CC(=O)[O-])C1 ZINC001603026036 1018104513 /nfs/dbraw/zinc/10/45/13/1018104513.db2.gz NZGIZKINGGCTPL-GHMZBOCLSA-N -1 0 316.379 -0.348 20 0 DBADRM CC(C)COC[C@@H](O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001603030688 1018104543 /nfs/dbraw/zinc/10/45/43/1018104543.db2.gz LITLPOJMHAVUND-QWRGUYRKSA-N -1 0 309.384 -0.797 20 0 DBADRM C[C@H](C(=O)N[C@@H]1C[C@H]1[C@H]1CCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001603022355 1018105129 /nfs/dbraw/zinc/10/51/29/1018105129.db2.gz MZPREZFGHMFBJX-ZYUZMQFOSA-N -1 0 318.341 -0.297 20 0 DBADRM CC(C)COC[C@H](O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001603030686 1018107062 /nfs/dbraw/zinc/10/70/62/1018107062.db2.gz LITLPOJMHAVUND-MNOVXSKESA-N -1 0 309.384 -0.797 20 0 DBADRM CC(=O)NCC(=O)NCCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001603042356 1018108438 /nfs/dbraw/zinc/10/84/38/1018108438.db2.gz HFISKWROSAWJLV-UHFFFAOYSA-N -1 0 309.326 -0.747 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001603035259 1018109987 /nfs/dbraw/zinc/10/99/87/1018109987.db2.gz PTQDESHJTYTASI-SECBINFHSA-N -1 0 309.326 -0.336 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001603039974 1018110212 /nfs/dbraw/zinc/11/02/12/1018110212.db2.gz MOPPGSQEXNFKHZ-SECBINFHSA-N -1 0 311.294 -0.374 20 0 DBADRM CC(=O)Nc1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])ccc1C ZINC001603065654 1018112637 /nfs/dbraw/zinc/11/26/37/1018112637.db2.gz CSAUKLDHYXDTRF-NSHDSACASA-N -1 0 316.335 -0.323 20 0 DBADRM CC(=O)NCc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])s1 ZINC001603052432 1018113122 /nfs/dbraw/zinc/11/31/22/1018113122.db2.gz LLBZSEPVPMPUOB-MRVPVSSYSA-N -1 0 322.364 -0.892 20 0 DBADRM CC(=O)N[C@H](CC1CCC1)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC001603058621 1018114342 /nfs/dbraw/zinc/11/43/42/1018114342.db2.gz TUDBQUHWILUAHW-GZMMTYOYSA-N -1 0 314.338 -0.186 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)OCC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001603052884 1018115159 /nfs/dbraw/zinc/11/51/59/1018115159.db2.gz XGTXBNMIZSXPQG-WCBMZHEXSA-N -1 0 302.327 -0.330 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)Cc1cc(C)ccn1)C(=O)[O-] ZINC001603054708 1018115293 /nfs/dbraw/zinc/11/52/93/1018115293.db2.gz AMHBILUAQINBTE-NSHDSACASA-N -1 0 300.336 -0.106 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC001603055401 1018115372 /nfs/dbraw/zinc/11/53/72/1018115372.db2.gz NJKYDIXDADTOFG-PPRQPISWSA-N -1 0 317.371 -0.734 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)Cc1nnc(C(C)(C)C)[nH]1)C(=O)[O-] ZINC001603055602 1018115740 /nfs/dbraw/zinc/11/57/40/1018115740.db2.gz SRGDQXJJFCSNJC-HXNGOWOSSA-N -1 0 316.383 -0.060 20 0 DBADRM CC(C)NS(=O)(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603075381 1018116888 /nfs/dbraw/zinc/11/68/88/1018116888.db2.gz REHWPLZLIGQULN-SECBINFHSA-N -1 0 307.372 -0.716 20 0 DBADRM CC(C)n1cc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])nn1 ZINC001603114853 1018118245 /nfs/dbraw/zinc/11/82/45/1018118245.db2.gz VJVRTNWUSLFMOK-SNVBAGLBSA-N -1 0 302.356 -0.457 20 0 DBADRM CC(C)NC(=O)[C@@H]1CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001603075375 1018117599 /nfs/dbraw/zinc/11/75/99/1018117599.db2.gz QCQKWIDJZSZKLW-LLVKDONJSA-N -1 0 320.411 -0.278 20 0 DBADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1F ZINC001603074987 1018118856 /nfs/dbraw/zinc/11/88/56/1018118856.db2.gz YLBIGWVRBABKKP-SNVBAGLBSA-N -1 0 320.298 -0.492 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001603096518 1018119491 /nfs/dbraw/zinc/11/94/91/1018119491.db2.gz QYTNCESDLJCGCK-MNOVXSKESA-N -1 0 308.338 -0.114 20 0 DBADRM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001603134259 1018121179 /nfs/dbraw/zinc/12/11/79/1018121179.db2.gz SXCQIFTWZPFSIZ-ONGXEEELSA-N -1 0 322.365 -0.126 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001603124584 1018122099 /nfs/dbraw/zinc/12/20/99/1018122099.db2.gz FKJMBFZFEDOIGK-SECBINFHSA-N -1 0 304.368 -0.076 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)NCCS(=O)(=O)NC(C)(C)C ZINC001603125238 1018123025 /nfs/dbraw/zinc/12/30/25/1018123025.db2.gz FHRKKVPBROBNTB-QMMMGPOBSA-N -1 0 309.388 -0.133 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC001603124928 1018124109 /nfs/dbraw/zinc/12/41/09/1018124109.db2.gz ADCIADGTFSFEPP-SECBINFHSA-N -1 0 321.399 -0.132 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NCC1CC2(C1)OCCO2)C(=O)[O-] ZINC001603144586 1018125314 /nfs/dbraw/zinc/12/53/14/1018125314.db2.gz BOBJYGXWUYAVEV-VIFPVBQESA-N -1 0 314.338 -0.565 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-])c1cnn(C)c1 ZINC001603145657 1018125648 /nfs/dbraw/zinc/12/56/48/1018125648.db2.gz HHLZIYAAOMBBMP-MWLCHTKSSA-N -1 0 308.338 -0.285 20 0 DBADRM C[C@H](CC[S@](C)=O)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603142728 1018128101 /nfs/dbraw/zinc/12/81/01/1018128101.db2.gz IZWTXOUMAPHZKQ-QDXVKYEASA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@H](CN(C)C(=O)CCC(=O)N1CCC(O)CC1)C(=O)[O-] ZINC001603150144 1018130996 /nfs/dbraw/zinc/13/09/96/1018130996.db2.gz WRZMXLUPSANGPU-SNVBAGLBSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])n1nnnc1C(C)(C)C ZINC001603148037 1018131951 /nfs/dbraw/zinc/13/19/51/1018131951.db2.gz KFJKORODSNUQCP-DTWKUNHWSA-N -1 0 311.342 -0.156 20 0 DBADRM C[C@H](C(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-])N1CCN(C)CC1 ZINC001603154549 1018132849 /nfs/dbraw/zinc/13/28/49/1018132849.db2.gz GVTSKQJLICHMJS-JHJVBQTASA-N -1 0 313.398 -0.239 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(c2cnccn2)[C@H](C)C1 ZINC001603159700 1018134179 /nfs/dbraw/zinc/13/41/79/1018134179.db2.gz COETYDPNABCNKJ-MNOVXSKESA-N -1 0 307.354 -0.424 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H](C(C)(C)O)C1)C(=O)[O-] ZINC001603158949 1018136014 /nfs/dbraw/zinc/13/60/14/1018136014.db2.gz MQRFXWHZRZKILI-ZJUUUORDSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(CCO)Cc1ccccc1)C(=O)[O-] ZINC001603158960 1018136414 /nfs/dbraw/zinc/13/64/14/1018136414.db2.gz MURUVWWOANUJJH-LLVKDONJSA-N -1 0 308.334 -0.156 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21)C(=O)[O-] ZINC001603158899 1018136960 /nfs/dbraw/zinc/13/69/60/1018136960.db2.gz KASCSGFSOXFWPJ-IVZWLZJFSA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@H](C(=O)NC[C@@]1(C(=O)[O-])CCOC1)[C@H](C)S(C)(=O)=O ZINC001603164274 1018137515 /nfs/dbraw/zinc/13/75/15/1018137515.db2.gz LMPYTMKBNSRUTQ-AUTRQRHGSA-N -1 0 307.368 -0.337 20 0 DBADRM C[C@H](CNC(=O)NCc1ccccc1C(=O)[O-])S(N)(=O)=O ZINC001603183974 1018139095 /nfs/dbraw/zinc/13/90/95/1018139095.db2.gz MDIRXFAAWCDHQI-MRVPVSSYSA-N -1 0 315.351 -0.139 20 0 DBADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])s1)N1CCNCC1=O ZINC001603167945 1018139127 /nfs/dbraw/zinc/13/91/27/1018139127.db2.gz LKBQHOHNENUATH-QMMMGPOBSA-N -1 0 311.363 -0.117 20 0 DBADRM C[C@H]([C@@H](C)C(=O)NCCn1cc(C(=O)[O-])nn1)S(C)(=O)=O ZINC001603165832 1018139233 /nfs/dbraw/zinc/13/92/33/1018139233.db2.gz DWIUQUIXNJXUQJ-HTQZYQBOSA-N -1 0 318.355 -0.838 20 0 DBADRM C[C@H](C(=O)NCCNc1ccnc(C(=O)[O-])n1)c1cnn(C)c1 ZINC001603165733 1018139547 /nfs/dbraw/zinc/13/95/47/1018139547.db2.gz CUHIPJUMWKLQJF-VIFPVBQESA-N -1 0 318.337 -0.338 20 0 DBADRM C[C@H](C(=O)NCc1ncc(C(=O)[O-])s1)N1C(=O)CCC1=O ZINC001603172852 1018139573 /nfs/dbraw/zinc/13/95/73/1018139573.db2.gz BKKIHHSENDGGQQ-ZCFIWIBFSA-N -1 0 311.319 -0.005 20 0 DBADRM C[C@@H](C(=O)NCCn1cc(C(=O)[O-])nn1)N1CCSCC1 ZINC001603166895 1018140824 /nfs/dbraw/zinc/14/08/24/1018140824.db2.gz QDDICDMSKFIIKZ-VIFPVBQESA-N -1 0 313.383 -0.470 20 0 DBADRM C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C12CCC[NH+](CCC1)C2 ZINC001603201431 1018144295 /nfs/dbraw/zinc/14/42/95/1018144295.db2.gz GFZRLIOLQLDEGZ-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CC(CO)(CO)NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001603202570 1018145467 /nfs/dbraw/zinc/14/54/67/1018145467.db2.gz NKJLZBKXMWWQFG-LBPRGKRZSA-N -1 0 321.333 -0.435 20 0 DBADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)c1 ZINC001603213288 1018146638 /nfs/dbraw/zinc/14/66/38/1018146638.db2.gz HFOWCIZPQGVNFN-ZHAHWJHGSA-N -1 0 322.317 -0.623 20 0 DBADRM CC(C)[C@H](C)N(C)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001603211143 1018146945 /nfs/dbraw/zinc/14/69/45/1018146945.db2.gz MLGMEPGZOZAQAA-QMMMGPOBSA-N -1 0 321.341 -0.368 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ncn(C)n1 ZINC001603211039 1018146986 /nfs/dbraw/zinc/14/69/86/1018146986.db2.gz SLRGOCKJTVUEFH-ISVAXAHUSA-N -1 0 309.326 -0.685 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ccc[nH]1 ZINC001603210521 1018147054 /nfs/dbraw/zinc/14/70/54/1018147054.db2.gz HJHCXAZDMBYUFZ-IQMDTDKHSA-N -1 0 321.333 -0.249 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603207672 1018148707 /nfs/dbraw/zinc/14/87/07/1018148707.db2.gz DQENHXXUUALITK-SECBINFHSA-N -1 0 320.309 -0.692 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1scnc1C1CC1)C(=O)[O-] ZINC001603256464 1018149960 /nfs/dbraw/zinc/14/99/60/1018149960.db2.gz QNKCXBSCJTXXAP-LBPRGKRZSA-N -1 0 313.335 -0.089 20 0 DBADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CNOC2)C1 ZINC001603249870 1018150843 /nfs/dbraw/zinc/15/08/43/1018150843.db2.gz HRXLAYKFWNOWFT-ZJUUUORDSA-N -1 0 313.354 -0.645 20 0 DBADRM CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001603256068 1018151327 /nfs/dbraw/zinc/15/13/27/1018151327.db2.gz DCJGTGGFZVQAPE-OAHLLOKOSA-N -1 0 324.333 -0.196 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)CN1C(=O)N[C@](C)(c2cnccn2)C1=O ZINC001603240043 1018151414 /nfs/dbraw/zinc/15/14/14/1018151414.db2.gz RGIDYXARDGOIGV-CQSZACIVSA-N -1 0 320.305 -0.077 20 0 DBADRM C[C@@](NCCS(=O)(=O)CC(=O)[O-])(C(N)=O)c1ccccc1 ZINC001603248684 1018153021 /nfs/dbraw/zinc/15/30/21/1018153021.db2.gz MXCFGNMVPMOKLC-ZDUSSCGKSA-N -1 0 314.363 -0.524 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603265059 1018154576 /nfs/dbraw/zinc/15/45/76/1018154576.db2.gz GCWWZCIVOQOFDI-WRWORJQWSA-N -1 0 310.310 -0.818 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC001603264746 1018154631 /nfs/dbraw/zinc/15/46/31/1018154631.db2.gz CMDMAKVOUZCWMC-GHMZBOCLSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001603266233 1018154897 /nfs/dbraw/zinc/15/48/97/1018154897.db2.gz RIKVATQNQNWVCT-QJPTWQEYSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-] ZINC001603263856 1018157005 /nfs/dbraw/zinc/15/70/05/1018157005.db2.gz SSLJLBIROJPOKN-LBPRGKRZSA-N -1 0 315.303 -0.529 20 0 DBADRM CC(C)(C(=O)[O-])c1csc(NC(=O)C(=O)NCCCO)n1 ZINC001603275158 1018158104 /nfs/dbraw/zinc/15/81/04/1018158104.db2.gz HMITXCDQZXXIFV-UHFFFAOYSA-N -1 0 315.351 -0.058 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001603292529 1018158468 /nfs/dbraw/zinc/15/84/68/1018158468.db2.gz GJIIFAYBCHUIDI-SDBXPKJASA-N -1 0 323.309 -0.534 20 0 DBADRM C[C@H](OCC(=O)Nc1ncn(CC(=O)[O-])n1)c1nccn1C ZINC001603277412 1018158582 /nfs/dbraw/zinc/15/85/82/1018158582.db2.gz WTURVCRSFFVZIX-QMMMGPOBSA-N -1 0 308.298 -0.188 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001603266468 1018158770 /nfs/dbraw/zinc/15/87/70/1018158770.db2.gz WXMPLRDMNPIBHB-NWDGAFQWSA-N -1 0 318.370 -0.093 20 0 DBADRM C[C@@H](O)CN(C(=O)c1cccn(CC(=O)[O-])c1=O)[C@H](C)CO ZINC001603268182 1018158932 /nfs/dbraw/zinc/15/89/32/1018158932.db2.gz DZLSRUDDEVBFOO-NXEZZACHSA-N -1 0 312.322 -0.863 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)CCO1 ZINC001603266702 1018159282 /nfs/dbraw/zinc/15/92/82/1018159282.db2.gz XXNSLEVUTYLALC-KOLCDFICSA-N -1 0 310.306 -0.845 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC001603292914 1018159440 /nfs/dbraw/zinc/15/94/40/1018159440.db2.gz SFRMMQNNZQGPOD-SKDRFNHKSA-N -1 0 319.383 -0.632 20 0 DBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001603310988 1018161748 /nfs/dbraw/zinc/16/17/48/1018161748.db2.gz VOXZTOZMRPOPQR-IWSPIJDZSA-N -1 0 301.343 -0.325 20 0 DBADRM CC(C)(C)C(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001603295832 1018163435 /nfs/dbraw/zinc/16/34/35/1018163435.db2.gz REUABFMAFNPVJR-LADJIXMOSA-N -1 0 322.361 -0.105 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCc3nnnn3CC2)C1 ZINC001603301729 1018163704 /nfs/dbraw/zinc/16/37/04/1018163704.db2.gz MQQZNWKAPJZTPU-TVQRCGJNSA-N -1 0 308.342 -0.116 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCc3nnnn3CC2)C1 ZINC001603301727 1018163726 /nfs/dbraw/zinc/16/37/26/1018163726.db2.gz MQQZNWKAPJZTPU-NOZJJQNGSA-N -1 0 308.342 -0.116 20 0 DBADRM CC(C)CS(=O)(=O)[N-]C(=O)c1ccnc(-c2nn[nH]n2)c1 ZINC001603302795 1018164182 /nfs/dbraw/zinc/16/41/82/1018164182.db2.gz UQQYSOSTZMEWEI-UHFFFAOYSA-N -1 0 310.339 -0.023 20 0 DBADRM CC1(C)CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCCO1 ZINC001603329636 1018165991 /nfs/dbraw/zinc/16/59/91/1018165991.db2.gz VRAYJWUDVJFDOE-UHFFFAOYSA-N -1 0 324.337 -0.066 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001603320914 1018166185 /nfs/dbraw/zinc/16/61/85/1018166185.db2.gz MLTUWDJVNGXJOZ-SECBINFHSA-N -1 0 316.354 -0.129 20 0 DBADRM CC(C)(C)/C=C/C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001603320702 1018166628 /nfs/dbraw/zinc/16/66/28/1018166628.db2.gz IPZGBTORURHMQL-ZJRFNNFUSA-N -1 0 324.377 -0.001 20 0 DBADRM CC(C)(C)C[C@H](NC(=O)c1cnn(C[C@H](O)CO)c1)C(=O)[O-] ZINC001603328515 1018166849 /nfs/dbraw/zinc/16/68/49/1018166849.db2.gz YGPPEUUPOOSMFX-QWRGUYRKSA-N -1 0 313.354 -0.145 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N(CCO)CCN1CCOCC1 ZINC001603322068 1018167224 /nfs/dbraw/zinc/16/72/24/1018167224.db2.gz GGCHETXCDXFXCY-OAHLLOKOSA-N -1 0 314.382 -0.360 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC001603320981 1018167961 /nfs/dbraw/zinc/16/79/61/1018167961.db2.gz OMWUDVGCDIIXLO-KBOAJJQZSA-N -1 0 323.349 -0.018 20 0 DBADRM C[C@]1(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCOC1 ZINC001603339676 1018169281 /nfs/dbraw/zinc/16/92/81/1018169281.db2.gz HZBZBFSVTLVCLA-CYBMUJFWSA-N -1 0 310.310 -0.551 20 0 DBADRM C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COCC(=O)[O-])C1=O ZINC001603347624 1018171619 /nfs/dbraw/zinc/17/16/19/1018171619.db2.gz ACKNEHMCMGHPAN-CQSZACIVSA-N -1 0 321.289 -0.414 20 0 DBADRM CC1(CCNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)OCCO1 ZINC001603339551 1018171922 /nfs/dbraw/zinc/17/19/22/1018171922.db2.gz ICUXJPUHGWLHJL-UHFFFAOYSA-N -1 0 314.338 -0.421 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2nncn2C)C1 ZINC001603355142 1018173455 /nfs/dbraw/zinc/17/34/55/1018173455.db2.gz OMAAZWVBKKICEH-NXEZZACHSA-N -1 0 323.353 -0.657 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)c2cn(CC(=O)[O-])nn2)CCS1(=O)=O ZINC001603356132 1018173536 /nfs/dbraw/zinc/17/35/36/1018173536.db2.gz WLZCDDKYOVKHDB-JGVFFNPUSA-N -1 0 316.339 -0.990 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N[C@@](C)(CO)C(=O)[O-])C1 ZINC001603358134 1018173836 /nfs/dbraw/zinc/17/38/36/1018173836.db2.gz FDYIKQSIAFCXNY-SDBXPKJASA-N -1 0 316.310 -0.575 20 0 DBADRM C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001603376087 1018176447 /nfs/dbraw/zinc/17/64/47/1018176447.db2.gz ZHLYNTSQJJZIMA-MNOVXSKESA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC001603375734 1018176943 /nfs/dbraw/zinc/17/69/43/1018176943.db2.gz VPMIXMSAZVJWHV-JRPNMDOOSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nnnn2CCC(=O)N(C)C)C1 ZINC001603372069 1018177972 /nfs/dbraw/zinc/17/79/72/1018177972.db2.gz LQXZMENIAOHKMN-ZJUUUORDSA-N -1 0 310.358 -0.302 20 0 DBADRM CC(C)(C)OC(=O)CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001603370755 1018178697 /nfs/dbraw/zinc/17/86/97/1018178697.db2.gz JVCCYOMGTGBAOM-SECBINFHSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001603374584 1018178858 /nfs/dbraw/zinc/17/88/58/1018178858.db2.gz FGURSWRBJHTZLN-ZJUUUORDSA-N -1 0 324.337 -0.617 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)[C@@H]1CO ZINC001603416475 1018180447 /nfs/dbraw/zinc/18/04/47/1018180447.db2.gz RQCMYZDVLAHRJK-LDYMZIIASA-N -1 0 307.306 -0.052 20 0 DBADRM CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC001603386627 1018182237 /nfs/dbraw/zinc/18/22/37/1018182237.db2.gz AEIWWFBJJSKTNC-BDAKNGLRSA-N -1 0 314.338 -0.195 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CN(C)CCO2)[C@H]1C(=O)[O-] ZINC001603415072 1018182937 /nfs/dbraw/zinc/18/29/37/1018182937.db2.gz VQEVFSIQGYVQHL-GRYCIOLGSA-N -1 0 320.411 -0.168 20 0 DBADRM C[C@H]1CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CC[C@H]1O ZINC001603439075 1018183723 /nfs/dbraw/zinc/18/37/23/1018183723.db2.gz HXNLJHVJSLVHDL-VHSXEESVSA-N -1 0 319.379 -0.505 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603439233 1018184305 /nfs/dbraw/zinc/18/43/05/1018184305.db2.gz MGMNJMQPLUZRNS-BDAKNGLRSA-N -1 0 310.310 -0.458 20 0 DBADRM C[C@H]1CCc2[nH]nc(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)c2C1 ZINC001603433057 1018185372 /nfs/dbraw/zinc/18/53/72/1018185372.db2.gz CHCGFCFCGZAMBO-VIFPVBQESA-N -1 0 320.349 -0.097 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(=O)[O-])C[C@@]2(CCCOC2)O1 ZINC001603440638 1018185401 /nfs/dbraw/zinc/18/54/01/1018185401.db2.gz YYDDHMZYCPXNRS-QMTHXVAHSA-N -1 0 314.338 -0.626 20 0 DBADRM CC(C)(C)OC(=O)NC1(C(=O)N[C@@H](CO)C(=O)[O-])CCC1 ZINC001603444625 1018185437 /nfs/dbraw/zinc/18/54/37/1018185437.db2.gz QBAOTIVXCBJRRI-QMMMGPOBSA-N -1 0 302.327 -0.005 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])C[C@@H](C2CC2)O1 ZINC001603439524 1018186101 /nfs/dbraw/zinc/18/61/01/1018186101.db2.gz OWPNYKNCFTUVRE-ONGXEEELSA-N -1 0 314.338 -0.770 20 0 DBADRM CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC001603433276 1018186167 /nfs/dbraw/zinc/18/61/67/1018186167.db2.gz IYVWAIKSCSFCGQ-KYXWUPHJSA-N -1 0 314.338 -0.054 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCN=C3C2=NNN3C)CC[C@@H]1C(=O)[O-] ZINC001603440912 1018186227 /nfs/dbraw/zinc/18/62/27/1018186227.db2.gz VUNFTUXGWOMMEV-KXUCPTDWSA-N -1 0 307.354 -0.220 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@](C)(CO)C(=O)[O-] ZINC001603453175 1018187739 /nfs/dbraw/zinc/18/77/39/1018187739.db2.gz VNKCDEJDKODGBB-AMIZOPFISA-N -1 0 320.342 -0.786 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCN(C)CC2)CC[C@H]1C(=O)[O-] ZINC001603463415 1018188433 /nfs/dbraw/zinc/18/84/33/1018188433.db2.gz BMEMZOSVSHSFNR-GHMZBOCLSA-N -1 0 305.400 -0.479 20 0 DBADRM CC(C)(C)OC(=O)NCC1(C(=O)N[C@@H](CO)C(=O)[O-])CC1 ZINC001603452595 1018189457 /nfs/dbraw/zinc/18/94/57/1018189457.db2.gz PFPMAAVQXMULSH-QMMMGPOBSA-N -1 0 302.327 -0.147 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001603473863 1018192335 /nfs/dbraw/zinc/19/23/35/1018192335.db2.gz QQIFMMJTCIHQPF-KKOKHZNYSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC[S@](=O)C1 ZINC001603464856 1018192417 /nfs/dbraw/zinc/19/24/17/1018192417.db2.gz ZJDIZPQFADBUAS-QGRDJGHBSA-N -1 0 324.424 -0.519 20 0 DBADRM C[C@H]1CSC[C@@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603472914 1018192690 /nfs/dbraw/zinc/19/26/90/1018192690.db2.gz HNPQULYBUFIYOT-YUMQZZPRSA-N -1 0 312.351 -0.226 20 0 DBADRM C[C@H]1OCC[C@@H]1S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001603480407 1018193274 /nfs/dbraw/zinc/19/32/74/1018193274.db2.gz UMCVFHSAOQBBAF-WDCWCFNPSA-N -1 0 305.352 -0.473 20 0 DBADRM C[C@@H]1CN(c2nnnn2[C@@H]2CCN(C)C2=O)CC[C@@H]1C(=O)[O-] ZINC001603470849 1018193894 /nfs/dbraw/zinc/19/38/94/1018193894.db2.gz PLTYPUAEDWTPRL-KXUCPTDWSA-N -1 0 308.342 -0.377 20 0 DBADRM C[C@@H]1CN(c2nnc(CS(C)(=O)=O)n2C)CC[C@H]1C(=O)[O-] ZINC001603470451 1018194010 /nfs/dbraw/zinc/19/40/10/1018194010.db2.gz JNPKOINCSUPARE-RKDXNWHRSA-N -1 0 316.383 -0.093 20 0 DBADRM C[C@H]1CSC[C@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603472912 1018194192 /nfs/dbraw/zinc/19/41/92/1018194192.db2.gz HNPQULYBUFIYOT-JGVFFNPUSA-N -1 0 312.351 -0.226 20 0 DBADRM C[C@@H]1SCC[C@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603480157 1018194304 /nfs/dbraw/zinc/19/43/04/1018194304.db2.gz QRWHGOOCIOBHTM-JGVFFNPUSA-N -1 0 312.351 -0.084 20 0 DBADRM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001603500066 1018194952 /nfs/dbraw/zinc/19/49/52/1018194952.db2.gz YGGSRZPJFVPLPW-VGMNWLOBSA-N -1 0 314.338 -0.201 20 0 DBADRM CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001603512176 1018195153 /nfs/dbraw/zinc/19/51/53/1018195153.db2.gz HEWSBYLFKLONOF-ZJUUUORDSA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@H](CCO)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603495504 1018196583 /nfs/dbraw/zinc/19/65/83/1018196583.db2.gz QWSCBGZYQFHHBN-SSDOTTSWSA-N -1 0 301.328 -0.244 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC001603525663 1018197853 /nfs/dbraw/zinc/19/78/53/1018197853.db2.gz NWBBOIPHCXMANZ-RKDXNWHRSA-N -1 0 321.399 -0.483 20 0 DBADRM C[C@@H](CNC(=O)C(C)(C)F)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001603521621 1018198452 /nfs/dbraw/zinc/19/84/52/1018198452.db2.gz YGJZVYWQJPNFCO-ZETCQYMHSA-N -1 0 308.321 -0.257 20 0 DBADRM CC[C@@H](CN1CCOCC1)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001603548404 1018200116 /nfs/dbraw/zinc/20/01/16/1018200116.db2.gz DLPJHXRJRUPTDY-JTQLQIEISA-N -1 0 311.342 -0.797 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H](CO)C1)C(=O)[O-] ZINC001603549621 1018200193 /nfs/dbraw/zinc/20/01/93/1018200193.db2.gz UCACFWSVSXQBPF-AXFHLTTASA-N -1 0 300.355 -0.310 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCC[C@](O)(C2CC2)C1)C(=O)[O-] ZINC001603548915 1018201800 /nfs/dbraw/zinc/20/18/00/1018201800.db2.gz MIENTWSFOHMCCA-ZUZCIYMTSA-N -1 0 312.366 -0.023 20 0 DBADRM CC[C@@H](CNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)[O-] ZINC001603552756 1018202325 /nfs/dbraw/zinc/20/23/25/1018202325.db2.gz MQPKCMDLLVNYMD-RMLUDKJBSA-N -1 0 311.338 -0.066 20 0 DBADRM CC[C@@H](CCO)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603548397 1018202554 /nfs/dbraw/zinc/20/25/54/1018202554.db2.gz CJWLXKYHYIOSFO-QWRGUYRKSA-N -1 0 315.370 -0.088 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[C@@H]1O)C(=O)[O-] ZINC001603548879 1018202935 /nfs/dbraw/zinc/20/29/35/1018202935.db2.gz KUQQRQDSVXVODB-VWYCJHECSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)(C)c1ccc(NC(=O)C(=O)NCCOCC(=O)[O-])nn1 ZINC001603540422 1018203563 /nfs/dbraw/zinc/20/35/63/1018203563.db2.gz QZOQMQRJOOSXMV-UHFFFAOYSA-N -1 0 324.337 -0.070 20 0 DBADRM CC(C)(C)c1nnc(SCC(=O)NCCC(=O)[O-])n1N ZINC001603562308 1018205397 /nfs/dbraw/zinc/20/53/97/1018205397.db2.gz OVXFOKKGUATQBP-UHFFFAOYSA-N -1 0 301.372 -0.028 20 0 DBADRM C[C@@H](CO)C1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001603565978 1018205463 /nfs/dbraw/zinc/20/54/63/1018205463.db2.gz FEWILGJVJITMFX-VIFPVBQESA-N -1 0 320.357 -0.675 20 0 DBADRM CC(C)(C)n1nnc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])n1 ZINC001603574320 1018206393 /nfs/dbraw/zinc/20/63/93/1018206393.db2.gz RFKSRWHKOQUHPD-MRVPVSSYSA-N -1 0 307.314 -0.423 20 0 DBADRM CC[C@@H](OC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(=O)OC ZINC001603586654 1018209291 /nfs/dbraw/zinc/20/92/91/1018209291.db2.gz RMQVRYUYRPKFAD-RKDXNWHRSA-N -1 0 301.295 -0.196 20 0 DBADRM CC[C@H](OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(=O)OC ZINC001603586653 1018209759 /nfs/dbraw/zinc/20/97/59/1018209759.db2.gz RMQVRYUYRPKFAD-IUCAKERBSA-N -1 0 301.295 -0.196 20 0 DBADRM CC[C@H](O)[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603586498 1018209925 /nfs/dbraw/zinc/20/99/25/1018209925.db2.gz OUTOCJWTFVKXMK-VWYCJHECSA-N -1 0 300.355 -0.025 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(c2nnnn2CC(=O)N(C)C)C1 ZINC001603609680 1018211269 /nfs/dbraw/zinc/21/12/69/1018211269.db2.gz QTQJTUMPDQIWEU-CYBMUJFWSA-N -1 0 310.358 -0.158 20 0 DBADRM CC[C@@H](OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)C(=O)[O-] ZINC001603586308 1018211779 /nfs/dbraw/zinc/21/17/79/1018211779.db2.gz MNJUWWMPAMPSRH-SSDOTTSWSA-N -1 0 315.307 -0.638 20 0 DBADRM CCC[C@@H](O)[C@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001603633790 1018213950 /nfs/dbraw/zinc/21/39/50/1018213950.db2.gz NTYGHRWRXRCTPS-NWDGAFQWSA-N -1 0 324.333 -0.039 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001603628199 1018214826 /nfs/dbraw/zinc/21/48/26/1018214826.db2.gz XLKAMKKPUNWTRZ-CABZTGNLSA-N -1 0 323.367 -0.119 20 0 DBADRM CCC[C@H](O)[C@@H](CO)NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001603633840 1018214868 /nfs/dbraw/zinc/21/48/68/1018214868.db2.gz QGFOHDGENKPUOH-MNOVXSKESA-N -1 0 303.355 -0.104 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCN2C(=O)OC[C@H]2C1)C(=O)[O-] ZINC001603653679 1018216417 /nfs/dbraw/zinc/21/64/17/1018216417.db2.gz HFWAFQDRCLKIHR-MRVPVSSYSA-N -1 0 306.340 -0.437 20 0 DBADRM CCCN(C)S(=O)(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603654696 1018217446 /nfs/dbraw/zinc/21/74/46/1018217446.db2.gz BENNGGQWVQZXEN-SNVBAGLBSA-N -1 0 321.399 -0.372 20 0 DBADRM CCCCC[C@@H](O)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001603642180 1018217600 /nfs/dbraw/zinc/21/76/00/1018217600.db2.gz YHTDKBGXICTLAT-NXEZZACHSA-N -1 0 307.368 -0.362 20 0 DBADRM CCCCN(CC(N)=O)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603647449 1018218122 /nfs/dbraw/zinc/21/81/22/1018218122.db2.gz PYPGAUHSEIXUGY-UHFFFAOYSA-N -1 0 309.322 -0.340 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C ZINC001603660375 1018218855 /nfs/dbraw/zinc/21/88/55/1018218855.db2.gz KLRFDKQIIFOJMJ-JTQLQIEISA-N -1 0 315.370 -0.284 20 0 DBADRM CC(C)(CS(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC001603660541 1018218901 /nfs/dbraw/zinc/21/89/01/1018218901.db2.gz VOTPJCFKQPTIDN-SFYZADRCSA-N -1 0 308.356 -0.951 20 0 DBADRM CC(C)(CS(=O)(=O)NCCN1CCNC1=S)C(=O)[O-] ZINC001603660587 1018219282 /nfs/dbraw/zinc/21/92/82/1018219282.db2.gz XUULOUQIWVNFAQ-UHFFFAOYSA-N -1 0 309.413 -0.793 20 0 DBADRM CCCN(CC(=O)[O-])[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001603666816 1018219420 /nfs/dbraw/zinc/21/94/20/1018219420.db2.gz QZHDSYXKWBTLRN-VHSXEESVSA-N -1 0 306.384 -0.525 20 0 DBADRM CCCNC(=O)CCCN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001603674658 1018219634 /nfs/dbraw/zinc/21/96/34/1018219634.db2.gz PQWRVGIBDQZDCK-JTQLQIEISA-N -1 0 306.384 -0.524 20 0 DBADRM CC(C)(CS(=O)(=O)Oc1cncc(C(N)=O)c1)C(=O)[O-] ZINC001603661256 1018220568 /nfs/dbraw/zinc/22/05/68/1018220568.db2.gz DMDXTZWOOYYDAZ-UHFFFAOYSA-N -1 0 302.308 0.000 20 0 DBADRM CC(C)(O)C1CN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1 ZINC001603689288 1018221215 /nfs/dbraw/zinc/22/12/15/1018221215.db2.gz ARCLRNMYTTVTDN-DMWPJOQESA-N -1 0 324.377 -0.169 20 0 DBADRM CC(C)(O)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001603687114 1018221649 /nfs/dbraw/zinc/22/16/49/1018221649.db2.gz DGIKLWFKJDWXOQ-OUAUKWLOSA-N -1 0 312.366 -0.167 20 0 DBADRM CC(C)(NS(=O)(=O)c1cc(Cl)cnc1N)[C@@H](O)C(=O)[O-] ZINC001603686597 1018222863 /nfs/dbraw/zinc/22/28/63/1018222863.db2.gz UGULSPQLJIKOII-ZETCQYMHSA-N -1 0 323.758 -0.180 20 0 DBADRM CC(C)(O)[C@H](O)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)[O-] ZINC001603687844 1018223533 /nfs/dbraw/zinc/22/35/33/1018223533.db2.gz JIGKELRBZWDAIB-NWDGAFQWSA-N -1 0 309.318 -0.138 20 0 DBADRM CCCn1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cn1 ZINC001603698471 1018226589 /nfs/dbraw/zinc/22/65/89/1018226589.db2.gz CQOQOUJZHVJDFZ-JTQLQIEISA-N -1 0 315.351 -0.383 20 0 DBADRM CC(C)(c1nnc(C(=O)N[C@H](CF)C(=O)[O-])o1)S(C)(=O)=O ZINC001603696570 1018227136 /nfs/dbraw/zinc/22/71/36/1018227136.db2.gz AEZBOMRAUIAQPL-RXMQYKEDSA-N -1 0 323.302 -0.498 20 0 DBADRM C[C@@H](CNC(=O)CC1CC1)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001500021624 1018228244 /nfs/dbraw/zinc/22/82/44/1018228244.db2.gz CQDCXDSLCRRIKT-VIFPVBQESA-N -1 0 322.365 -0.232 20 0 DBADRM CCN(C(=O)c1cn(Cc2noc(C)n2)nn1)[C@@H](C)C(=O)[O-] ZINC001603714269 1018229489 /nfs/dbraw/zinc/22/94/89/1018229489.db2.gz FHKYEQACXSLUQP-ZETCQYMHSA-N -1 0 308.298 -0.047 20 0 DBADRM CCN(C(=O)C(=O)Nc1cncc(C(=O)[O-])c1)[C@@H]1CCNC1=O ZINC001603705874 1018229885 /nfs/dbraw/zinc/22/98/85/1018229885.db2.gz PPNBGDKMBQKREF-SNVBAGLBSA-N -1 0 320.305 -0.545 20 0 DBADRM CCN(C(=O)Nc1nc(CS(C)(=O)=O)no1)[C@H](C)C(=O)[O-] ZINC001603715029 1018231180 /nfs/dbraw/zinc/23/11/80/1018231180.db2.gz FNCDQJYDTHGGOL-ZCFIWIBFSA-N -1 0 320.327 -0.059 20 0 DBADRM CCN(C(=O)c1cc(C(=O)[O-])n[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC001603715464 1018231193 /nfs/dbraw/zinc/23/11/93/1018231193.db2.gz MYWVOMOVMRVTDL-SSDOTTSWSA-N -1 0 301.324 -0.243 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001603722258 1018231948 /nfs/dbraw/zinc/23/19/48/1018231948.db2.gz COXGBZZKXZVYKQ-SECBINFHSA-N -1 0 301.343 -0.850 20 0 DBADRM C[C@]1(C(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)CCNC1=O ZINC001603748886 1018232883 /nfs/dbraw/zinc/23/28/83/1018232883.db2.gz ZAVUINZJALAFQC-ZDUSSCGKSA-N -1 0 302.294 -0.197 20 0 DBADRM CCN(C)C(=O)Cn1nnnc1N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001603724784 1018233223 /nfs/dbraw/zinc/23/32/23/1018233223.db2.gz ZGBYUHGUHLRLTQ-ZJUUUORDSA-N -1 0 310.358 -0.302 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001603740330 1018233689 /nfs/dbraw/zinc/23/36/89/1018233689.db2.gz QECJXBKRHZJXAX-XFWSIPNHSA-N -1 0 304.368 -0.651 20 0 DBADRM C[C@@H](c1nnc(-c2cnn(C)c2)o1)n1cnc(-c2nnn[n-]2)n1 ZINC001603736147 1018234063 /nfs/dbraw/zinc/23/40/63/1018234063.db2.gz FTASISIITRURJF-LURJTMIESA-N -1 0 313.285 -0.149 20 0 DBADRM CCN1C[C@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)CC1=O ZINC001603756097 1018234999 /nfs/dbraw/zinc/23/49/99/1018234999.db2.gz CKIVOKQUWDFDNJ-SECBINFHSA-N -1 0 307.306 -0.717 20 0 DBADRM CC1(C)[C@@H](O)C[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603755828 1018236028 /nfs/dbraw/zinc/23/60/28/1018236028.db2.gz BXYKEJJTVRGFHD-YUMQZZPRSA-N -1 0 313.339 -0.103 20 0 DBADRM CC(C)[C@H]1C[C@@H]1C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001603753409 1018236691 /nfs/dbraw/zinc/23/66/91/1018236691.db2.gz VJPKTKTXZBFYPJ-VLEAKVRGSA-N -1 0 323.349 -0.116 20 0 DBADRM CC(C)C1CN(C(=O)C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001603757276 1018236703 /nfs/dbraw/zinc/23/67/03/1018236703.db2.gz QUOHIGCYRMPYDQ-HNNXBMFYSA-N -1 0 323.349 -0.067 20 0 DBADRM CC1(C)[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C[C@@H]1O ZINC001603755827 1018236719 /nfs/dbraw/zinc/23/67/19/1018236719.db2.gz BXYKEJJTVRGFHD-SFYZADRCSA-N -1 0 313.339 -0.103 20 0 DBADRM CC(C)[C@@H]1C[C@H]1C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001603753407 1018236923 /nfs/dbraw/zinc/23/69/23/1018236923.db2.gz VJPKTKTXZBFYPJ-MMWGEVLESA-N -1 0 323.349 -0.116 20 0 DBADRM CC(C)CC(=O)N1CCCC[C@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC001603760936 1018237344 /nfs/dbraw/zinc/23/73/44/1018237344.db2.gz MKDYJFSPTIPHEZ-MNOVXSKESA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)[C@H]1C(=O)NCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001603750407 1018237359 /nfs/dbraw/zinc/23/73/59/1018237359.db2.gz KUKXGJOJYDFHAC-LBPRGKRZSA-N -1 0 321.333 -0.471 20 0 DBADRM CC1(C)C[C@]1(C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603763936 1018238096 /nfs/dbraw/zinc/23/80/96/1018238096.db2.gz BODVSLZCNOMYAQ-LBPRGKRZSA-N -1 0 305.346 -0.054 20 0 DBADRM CCOC(=O)[C@@H](CO)NC(=O)C1(C(=O)[O-])CCSCC1 ZINC001603780712 1018238284 /nfs/dbraw/zinc/23/82/84/1018238284.db2.gz SLHLINCQGCJMEU-MRVPVSSYSA-N -1 0 305.352 -0.375 20 0 DBADRM CC(C)C[C@H](CNC(=O)C1(CS(C)(=O)=O)COC1)C(=O)[O-] ZINC001603770643 1018238695 /nfs/dbraw/zinc/23/86/95/1018238695.db2.gz XAAUBERLWNNEGR-SNVBAGLBSA-N -1 0 321.395 -0.089 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCN(C)[C@@H](CO)C1)C(=O)[O-] ZINC001603775010 1018238976 /nfs/dbraw/zinc/23/89/76/1018238976.db2.gz COQXRMCBGUGSRF-VXGBXAGGSA-N -1 0 301.387 -0.790 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H](CC)C(=O)[O-])C1 ZINC001603771320 1018239748 /nfs/dbraw/zinc/23/97/48/1018239748.db2.gz FKTYWZVESYSIGP-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM CCOC(=O)CC(=O)CS[C@H]1CCN(CC(=O)[O-])C1=O ZINC001603793633 1018241195 /nfs/dbraw/zinc/24/11/95/1018241195.db2.gz LRRRIKHFPDOSHW-VIFPVBQESA-N -1 0 303.336 -0.073 20 0 DBADRM CC1(C)COCCN1CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001603791031 1018242048 /nfs/dbraw/zinc/24/20/48/1018242048.db2.gz AXQMSPVMUYGOTP-UHFFFAOYSA-N -1 0 304.358 -0.399 20 0 DBADRM CCOC(=O)C1(C(=O)N2CCO[C@](COC)(C(=O)[O-])C2)CC1 ZINC001603787589 1018242711 /nfs/dbraw/zinc/24/27/11/1018242711.db2.gz VKJFRKHCWCWYDX-CQSZACIVSA-N -1 0 315.322 -0.342 20 0 DBADRM CCOC(=O)[C@@]1(C)CN([C@@H]2CCN(CC(=O)[O-])C2=O)CCO1 ZINC001603786830 1018242887 /nfs/dbraw/zinc/24/28/87/1018242887.db2.gz LENNZENPOQQOBG-QMTHXVAHSA-N -1 0 314.338 -0.674 20 0 DBADRM CCOC(=O)CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603796736 1018242940 /nfs/dbraw/zinc/24/29/40/1018242940.db2.gz QETUSDMGMWKSJA-VIFPVBQESA-N -1 0 300.311 -0.621 20 0 DBADRM CC1(C)OCC[C@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001603795824 1018243644 /nfs/dbraw/zinc/24/36/44/1018243644.db2.gz ZRIICLQTPLHTEY-QMMMGPOBSA-N -1 0 306.330 -0.611 20 0 DBADRM CCOC(=O)[C@@H]1[C@@H]2CCN([C@H]3CCN(CC(=O)[O-])C3=O)C[C@@H]21 ZINC001603805703 1018244193 /nfs/dbraw/zinc/24/41/93/1018244193.db2.gz BDSDEUNVHSHJIB-MPPDQPJWSA-N -1 0 310.350 -0.197 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1CN1CCO[C@](COC)(C(=O)[O-])C1 ZINC001603806130 1018244802 /nfs/dbraw/zinc/24/48/02/1018244802.db2.gz MHZYTHBAJMEJQF-MISXGVKJSA-N -1 0 301.339 -0.012 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1CN1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001603806159 1018245050 /nfs/dbraw/zinc/24/50/50/1018245050.db2.gz MHZYTHBAJMEJQF-WDMOLILDSA-N -1 0 301.339 -0.012 20 0 DBADRM CCOC(=O)c1cc(CS(=O)(=O)NCCC(=O)[O-])on1 ZINC001603812181 1018245894 /nfs/dbraw/zinc/24/58/94/1018245894.db2.gz KZCOKTVDSVZPGZ-UHFFFAOYSA-N -1 0 306.296 -0.255 20 0 DBADRM CC(C)CN1CCN([C@H]2CCN(CCC(=O)[O-])C2=O)CC1=O ZINC001603816397 1018246918 /nfs/dbraw/zinc/24/69/18/1018246918.db2.gz NZFLLJNFWNVJNS-LBPRGKRZSA-N -1 0 311.382 -0.138 20 0 DBADRM CC(C)CN1C[C@H](C(=O)N[C@H](Cn2cncn2)C(=O)[O-])CC1=O ZINC001603814539 1018247074 /nfs/dbraw/zinc/24/70/74/1018247074.db2.gz JEQYVVUIXADNRD-GHMZBOCLSA-N -1 0 323.353 -0.648 20 0 DBADRM CC(C)CN1C[C@@H]2CN(C(=O)COCC(=O)[O-])CCN2C1=O ZINC001603816581 1018247791 /nfs/dbraw/zinc/24/77/91/1018247791.db2.gz RBIMRQAMLHRHBF-NSHDSACASA-N -1 0 313.354 -0.308 20 0 DBADRM C[C@@]1(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO[C@H]1C1CC1 ZINC001603813355 1018248073 /nfs/dbraw/zinc/24/80/73/1018248073.db2.gz HRJSCQAEHHEERJ-GXFFZTMASA-N -1 0 318.341 -0.468 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)NC1)C(=O)[O-] ZINC001603840288 1018249489 /nfs/dbraw/zinc/24/94/89/1018249489.db2.gz KQIXFHVYCGNLGV-ZJUUUORDSA-N -1 0 313.354 -0.756 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001603831199 1018250399 /nfs/dbraw/zinc/25/03/99/1018250399.db2.gz FTMMDKCUZPVGGY-PWSUYJOCSA-N -1 0 321.395 -0.116 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001603831197 1018251767 /nfs/dbraw/zinc/25/17/67/1018251767.db2.gz FTMMDKCUZPVGGY-CMPLNLGQSA-N -1 0 321.395 -0.116 20 0 DBADRM C[C@@H]1C[C@H](C)N(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001603846347 1018253787 /nfs/dbraw/zinc/25/37/87/1018253787.db2.gz IZSJFFKXFYSFQM-BDAKNGLRSA-N -1 0 305.346 -0.102 20 0 DBADRM CCOCCS(=O)(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603841620 1018254864 /nfs/dbraw/zinc/25/48/64/1018254864.db2.gz CJYJSNOEDRHXJE-JTQLQIEISA-N -1 0 322.383 -0.592 20 0 DBADRM CCOCCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603841397 1018255098 /nfs/dbraw/zinc/25/50/98/1018255098.db2.gz KQAUQAMLKUQFQL-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM CCOCCS(=O)(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603841629 1018255576 /nfs/dbraw/zinc/25/55/76/1018255576.db2.gz CJYJSNOEDRHXJE-SNVBAGLBSA-N -1 0 322.383 -0.592 20 0 DBADRM C[C@@H]1CC[C@H]1NC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001603881984 1018256374 /nfs/dbraw/zinc/25/63/74/1018256374.db2.gz QDKGOELAROQSRG-VXNVDRBHSA-N -1 0 319.325 -0.566 20 0 DBADRM C[C@@H]1CC[C@@H](C)N(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001603873835 1018256604 /nfs/dbraw/zinc/25/66/04/1018256604.db2.gz CLNROMVQMSZHLS-HTQZYQBOSA-N -1 0 305.342 -0.122 20 0 DBADRM CC(C)NS(=O)(=O)NCCNCc1cc(C(=O)[O-])no1 ZINC001603904918 1018260411 /nfs/dbraw/zinc/26/04/11/1018260411.db2.gz NLINAJCTVZKASM-UHFFFAOYSA-N -1 0 306.344 -0.705 20 0 DBADRM CC(C)N1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1=O ZINC001603896895 1018261082 /nfs/dbraw/zinc/26/10/82/1018261082.db2.gz MSDAJMHKBHDLCS-UHFFFAOYSA-N -1 0 304.368 -0.124 20 0 DBADRM CC[C@H](C)[C@H](NS(=O)(=O)C[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC001603938582 1018264130 /nfs/dbraw/zinc/26/41/30/1018264130.db2.gz YETWHJKKNARIFM-DCAQKATOSA-N -1 0 308.400 -0.264 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001603936132 1018265617 /nfs/dbraw/zinc/26/56/17/1018265617.db2.gz HWQUNECRVAFBLM-ZJUUUORDSA-N -1 0 304.358 -0.400 20 0 DBADRM CC(C)[C@@H](O)C(=O)N(C)[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001603967495 1018268643 /nfs/dbraw/zinc/26/86/43/1018268643.db2.gz SZVASLLGIUIPIP-GXSJLCMTSA-N -1 0 310.354 -0.128 20 0 DBADRM CCC(=O)N1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001603967895 1018269781 /nfs/dbraw/zinc/26/97/81/1018269781.db2.gz SBDPWUPVKGAVSL-BDAKNGLRSA-N -1 0 302.342 -0.110 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N[C@](C)(CO)C(=O)[O-] ZINC001603966552 1018271689 /nfs/dbraw/zinc/27/16/89/1018271689.db2.gz UZGDMDMVWWOXCW-BXKDBHETSA-N -1 0 322.383 -0.955 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001603959971 1018272330 /nfs/dbraw/zinc/27/23/30/1018272330.db2.gz NSZHIZBYSZMBGO-JTQLQIEISA-N -1 0 303.340 -0.515 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCN2C(=O)OCC[C@@H]2C1)C(=O)[O-] ZINC001603973430 1018275738 /nfs/dbraw/zinc/27/57/38/1018275738.db2.gz YPRKHDLKWLNTOZ-PWSUYJOCSA-N -1 0 313.354 -0.262 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001603979528 1018276698 /nfs/dbraw/zinc/27/66/98/1018276698.db2.gz MBJTUJDIKAGWTA-LBPRGKRZSA-N -1 0 323.353 -0.090 20 0 DBADRM CC(C)c1nccn1CC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001604020836 1018277734 /nfs/dbraw/zinc/27/77/34/1018277734.db2.gz ZIZWWOBCTNXPNQ-SNVBAGLBSA-N -1 0 308.338 -0.240 20 0 DBADRM CCn1nncc1Cn1cc(CN2CCC[C@@H]2C(=O)[O-])nn1 ZINC001604024611 1018277812 /nfs/dbraw/zinc/27/78/12/1018277812.db2.gz UIFOTWOUZRZPPQ-GFCCVEGCSA-N -1 0 305.342 -0.013 20 0 DBADRM CCn1cc(C(=O)C(=O)N(CCC(=O)OC)CC(=O)[O-])cn1 ZINC001604006966 1018279099 /nfs/dbraw/zinc/27/90/99/1018279099.db2.gz WFCBCWNAIDFOQL-UHFFFAOYSA-N -1 0 311.294 -0.438 20 0 DBADRM CCn1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001604017609 1018279461 /nfs/dbraw/zinc/27/94/61/1018279461.db2.gz BQCGDDNQJMKEAF-SECBINFHSA-N -1 0 301.324 -0.773 20 0 DBADRM CN(C(=O)[C@@H](C(=O)[O-])C1CCCC1)N1CCS(=O)(=O)CC1 ZINC001604024169 1018279568 /nfs/dbraw/zinc/27/95/68/1018279568.db2.gz FRNFVIIXIVIZCE-NSHDSACASA-N -1 0 318.395 -0.019 20 0 DBADRM CC[C@](C)(CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)OC ZINC001603987773 1018280263 /nfs/dbraw/zinc/28/02/63/1018280263.db2.gz YMZCDUGDRNMWRL-PRHODGIISA-N -1 0 308.346 -0.050 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001604083125 1018292464 /nfs/dbraw/zinc/29/24/64/1018292464.db2.gz CMDLDEHKDUNQKK-MPSDLYAZSA-N -1 0 313.401 -0.352 20 0 DBADRM CC[C@@H](CCO)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604030313 1018281875 /nfs/dbraw/zinc/28/18/75/1018281875.db2.gz RRNDXOZOQLIKAS-IUCAKERBSA-N -1 0 308.346 -0.456 20 0 DBADRM CC[C@H](CCO)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604030314 1018282045 /nfs/dbraw/zinc/28/20/45/1018282045.db2.gz RRNDXOZOQLIKAS-RKDXNWHRSA-N -1 0 308.346 -0.456 20 0 DBADRM CC(C)n1cc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001604036128 1018282894 /nfs/dbraw/zinc/28/28/94/1018282894.db2.gz MUXFRXAITBADMX-GHMZBOCLSA-N -1 0 324.337 -0.161 20 0 DBADRM CN(C)C(=O)c1ccc(=O)n([C@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC001604046034 1018283426 /nfs/dbraw/zinc/28/34/26/1018283426.db2.gz PUDHHFYIXHJOBI-JTQLQIEISA-N -1 0 307.306 -0.592 20 0 DBADRM CN(C)C(=O)[C@H]1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001604041968 1018283779 /nfs/dbraw/zinc/28/37/79/1018283779.db2.gz YJEGFFCKRIMCCT-VIFPVBQESA-N -1 0 309.326 -0.090 20 0 DBADRM CN(C)C(=O)N[C@H]1CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001604040849 1018283946 /nfs/dbraw/zinc/28/39/46/1018283946.db2.gz LFSUAFUAHXGFFL-JTQLQIEISA-N -1 0 321.399 -0.779 20 0 DBADRM CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001604040528 1018284613 /nfs/dbraw/zinc/28/46/13/1018284613.db2.gz CMXKBIBBEXFNMS-JGVFFNPUSA-N -1 0 301.324 -0.794 20 0 DBADRM CC[C@@H](CN1CCOCC1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001604029692 1018284702 /nfs/dbraw/zinc/28/47/02/1018284702.db2.gz UQLMBSDKMMKUIS-JTQLQIEISA-N -1 0 304.358 -0.399 20 0 DBADRM CN(C)C(=O)CCn1nnnc1N1CCC[C@@H](CC(=O)[O-])C1 ZINC001604040651 1018284949 /nfs/dbraw/zinc/28/49/49/1018284949.db2.gz HNECUECLKNAEFE-JTQLQIEISA-N -1 0 310.358 -0.158 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001604060385 1018286671 /nfs/dbraw/zinc/28/66/71/1018286671.db2.gz PDDYGCIIZJDODY-VMZHVLLKSA-N -1 0 318.333 -0.223 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC001604056735 1018287594 /nfs/dbraw/zinc/28/75/94/1018287594.db2.gz WEBVXAAVQVZEQB-ITMFEAPISA-N -1 0 304.368 -0.054 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001604060384 1018287824 /nfs/dbraw/zinc/28/78/24/1018287824.db2.gz PDDYGCIIZJDODY-PBKGFPTLSA-N -1 0 318.333 -0.223 20 0 DBADRM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC001604075982 1018289519 /nfs/dbraw/zinc/28/95/19/1018289519.db2.gz ZPGPZTHDUYOPRZ-GMTAPVOTSA-N -1 0 318.395 -0.020 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001604075477 1018290312 /nfs/dbraw/zinc/29/03/12/1018290312.db2.gz KGRIFEDIOVFZTG-UHFFFAOYSA-N -1 0 316.339 -0.544 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001604075895 1018290502 /nfs/dbraw/zinc/29/05/02/1018290502.db2.gz SUKYRCKMWAVACN-UHFFFAOYSA-N -1 0 301.324 0.000 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)CN1CCOCC1=O)c1ccccn1 ZINC001604079687 1018291302 /nfs/dbraw/zinc/29/13/02/1018291302.db2.gz YJCWTLXSHISYBD-HNNXBMFYSA-N -1 0 321.333 -0.254 20 0 DBADRM CC[C@@H](O)Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C2CC2)c1=O ZINC001604067173 1018291646 /nfs/dbraw/zinc/29/16/46/1018291646.db2.gz VZWGSPGDCRXKDM-SECBINFHSA-N -1 0 306.326 -0.396 20 0 DBADRM C[C@H](CC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-])NC(N)=O ZINC001604068503 1018292186 /nfs/dbraw/zinc/29/21/86/1018292186.db2.gz FZUUWGZLJMQKFY-KXUCPTDWSA-N -1 0 301.343 -0.181 20 0 DBADRM CN(C)CCN(CC(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001604064048 1018292726 /nfs/dbraw/zinc/29/27/26/1018292726.db2.gz GXMCQCIFHJRJGX-JTQLQIEISA-N -1 0 321.399 -0.827 20 0 DBADRM CC[C@]1(Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCOC1 ZINC001604092988 1018294064 /nfs/dbraw/zinc/29/40/64/1018294064.db2.gz ZJVUDZRVBXLVTL-ZDUSSCGKSA-N -1 0 321.341 -0.755 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC001604103915 1018294287 /nfs/dbraw/zinc/29/42/87/1018294287.db2.gz QVEOYONMLQWLPY-RYUDHWBXSA-N -1 0 302.371 -0.361 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001604094806 1018294461 /nfs/dbraw/zinc/29/44/61/1018294461.db2.gz XERJGTIENSTWGX-BREBYQMCSA-N -1 0 319.379 -0.050 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)CN1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001604084039 1018294513 /nfs/dbraw/zinc/29/45/13/1018294513.db2.gz YNRLPBOVJNFVMI-XDCKBPOISA-N -1 0 319.383 -0.880 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCO[C@@H](CN2CCOCC2)C1 ZINC001604096613 1018294989 /nfs/dbraw/zinc/29/49/89/1018294989.db2.gz KFOBIGPKLXZUIF-NEPJUHHUSA-N -1 0 300.355 -0.343 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O ZINC001604106535 1018295098 /nfs/dbraw/zinc/29/50/98/1018295098.db2.gz ZAPQLAWPBWCVHB-VHSXEESVSA-N -1 0 321.399 -0.339 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])Cc1ncc(Br)cn1 ZINC001604102139 1018295215 /nfs/dbraw/zinc/29/52/15/1018295215.db2.gz NTXLZDQIXYUTMW-UHFFFAOYSA-N -1 0 317.143 -0.128 20 0 DBADRM C[C@H](CN1CCCC1=O)NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001604165981 1018310533 /nfs/dbraw/zinc/31/05/33/1018310533.db2.gz YKYQNELUZVIJEI-SECBINFHSA-N -1 0 304.368 -0.076 20 0 DBADRM CN(CC(=O)NCCC(C)(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001604102200 1018295307 /nfs/dbraw/zinc/29/53/07/1018295307.db2.gz RDNBJKLSTMCNLC-JTQLQIEISA-N -1 0 320.411 -0.278 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)NCC12COCCN1CCOC2 ZINC001604104221 1018296059 /nfs/dbraw/zinc/29/60/59/1018296059.db2.gz BUBPVZZKZRTVQP-LLVKDONJSA-N -1 0 300.355 -0.295 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N1CCCC[C@H]1CNS(N)(=O)=O ZINC001604106533 1018296513 /nfs/dbraw/zinc/29/65/13/1018296513.db2.gz ZAPQLAWPBWCVHB-UWVGGRQHSA-N -1 0 321.399 -0.339 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc3n(n2)CCO3)CC1 ZINC001604113740 1018297113 /nfs/dbraw/zinc/29/71/13/1018297113.db2.gz JUERERZBNXGMRD-JTQLQIEISA-N -1 0 308.338 -0.104 20 0 DBADRM CC/C=C/CNC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001604120929 1018297207 /nfs/dbraw/zinc/29/72/07/1018297207.db2.gz XRBQYYXWBSRDBF-ONEGZZNKSA-N -1 0 305.298 -0.789 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccn3nnnc3c2)CC1 ZINC001604114145 1018297361 /nfs/dbraw/zinc/29/73/61/1018297361.db2.gz DPAKERUSKGJNPQ-SNVBAGLBSA-N -1 0 318.337 -0.255 20 0 DBADRM CN(CC1(C)COC1)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001604124563 1018297768 /nfs/dbraw/zinc/29/77/68/1018297768.db2.gz KIANDSAKCBIKCL-UHFFFAOYSA-N -1 0 319.379 -0.239 20 0 DBADRM CC/C=C(\C)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001604120980 1018301205 /nfs/dbraw/zinc/30/12/05/1018301205.db2.gz YOOQEEHKDLLKAV-XBXARRHUSA-N -1 0 319.325 -0.399 20 0 DBADRM C[C@@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1COCCO1 ZINC001604141241 1018302734 /nfs/dbraw/zinc/30/27/34/1018302734.db2.gz GTPRVTZIWFKNJC-ONGXEEELSA-N -1 0 324.337 -0.103 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001604125582 1018302775 /nfs/dbraw/zinc/30/27/75/1018302775.db2.gz VPZLDUHSISNFDQ-DTWKUNHWSA-N -1 0 321.337 -0.879 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC2(CC1)COCCO2 ZINC001604133798 1018302832 /nfs/dbraw/zinc/30/28/32/1018302832.db2.gz IZCOXQIFBCGLBH-UHFFFAOYSA-N -1 0 314.338 -0.673 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H](C)CC(N)=O ZINC001604125505 1018302970 /nfs/dbraw/zinc/30/29/70/1018302970.db2.gz TTZOZIICMQRKOK-HTQZYQBOSA-N -1 0 309.326 -0.975 20 0 DBADRM C[C@H](CCNC(=O)[C@H]1CCNC1=O)Nc1ncc(C(=O)[O-])cn1 ZINC001604141154 1018303201 /nfs/dbraw/zinc/30/32/01/1018303201.db2.gz NHFRALFGKQJBKF-PSASIEDQSA-N -1 0 321.337 -0.382 20 0 DBADRM CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001604125039 1018304003 /nfs/dbraw/zinc/30/40/03/1018304003.db2.gz XQOZGGRVFTVUGE-NKWVEPMBSA-N -1 0 312.244 -0.699 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC001604134185 1018304145 /nfs/dbraw/zinc/30/41/45/1018304145.db2.gz UOTKMOGGJUTLJN-JTQLQIEISA-N -1 0 311.338 -0.811 20 0 DBADRM C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001604130127 1018304180 /nfs/dbraw/zinc/30/41/80/1018304180.db2.gz QHOIYTFSAPWOFZ-OUAUKWLOSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@](CCF)(NC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)[O-] ZINC001604140504 1018304320 /nfs/dbraw/zinc/30/43/20/1018304320.db2.gz ROYMVBWVEPEIQA-GFCCVEGCSA-N -1 0 303.290 -0.364 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)NCCN1CCC2(C1)OCCO2 ZINC001604155111 1018305193 /nfs/dbraw/zinc/30/51/93/1018305193.db2.gz JMHZSQDOZAWKOZ-UHFFFAOYSA-N -1 0 315.370 -0.059 20 0 DBADRM C[C@@H](CN(C(=O)[C@@H]1CCN=C2C1=NNN2C)C1CC1)C(=O)[O-] ZINC001604150053 1018305627 /nfs/dbraw/zinc/30/56/27/1018305627.db2.gz PCRLYBLKZFYFBW-WCBMZHEXSA-N -1 0 307.354 -0.078 20 0 DBADRM C[C@H](CCNC(=O)c1cnn(C)n1)Nc1ncc(C(=O)[O-])cn1 ZINC001604141811 1018305942 /nfs/dbraw/zinc/30/59/42/1018305942.db2.gz LXJSPLUWVDQBAJ-MRVPVSSYSA-N -1 0 319.325 -0.076 20 0 DBADRM C[C@@H](CN(C(=O)[C@H]1CCN=C2C1=NNN2C)C1CC1)C(=O)[O-] ZINC001604150054 1018306175 /nfs/dbraw/zinc/30/61/75/1018306175.db2.gz PCRLYBLKZFYFBW-WPRPVWTQSA-N -1 0 307.354 -0.078 20 0 DBADRM CCC[C@H](O)CNS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001604147322 1018306321 /nfs/dbraw/zinc/30/63/21/1018306321.db2.gz PJWOJKRLEYIUBP-QMMMGPOBSA-N -1 0 312.355 -0.299 20 0 DBADRM C[C@@H](CN1CCOCC1)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001604167743 1018308488 /nfs/dbraw/zinc/30/84/88/1018308488.db2.gz RKAURCQMXGPVDV-TUAOUCFPSA-N -1 0 300.355 -0.202 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)Cn1cccn1 ZINC001604168151 1018309575 /nfs/dbraw/zinc/30/95/75/1018309575.db2.gz GBMPDOIFCVBHLG-GARJFASQSA-N -1 0 308.338 -0.385 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001604168069 1018310085 /nfs/dbraw/zinc/31/00/85/1018310085.db2.gz ZYJXKDHAEXXERH-TUAOUCFPSA-N -1 0 315.370 -0.409 20 0 DBADRM C[C@@H](CNC(=O)CN1CCCC2(CC2)S1(=O)=O)C(=O)[O-] ZINC001604174520 1018311406 /nfs/dbraw/zinc/31/14/06/1018311406.db2.gz VAOJLPRKENHRQW-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@@H](CNC(=O)[C@@H](C)CC(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001604171737 1018312162 /nfs/dbraw/zinc/31/21/62/1018312162.db2.gz GALYTQQSVBPJGC-YUMQZZPRSA-N -1 0 309.326 -0.397 20 0 DBADRM C[C@H](CNC(=O)Cc1nc[nH]n1)N(C)c1ncc(C(=O)[O-])cn1 ZINC001604174634 1018312237 /nfs/dbraw/zinc/31/22/37/1018312237.db2.gz SHFDHTZRFZGGCW-MRVPVSSYSA-N -1 0 319.325 -0.524 20 0 DBADRM C[C@@H](CNC(=O)Cn1cccn1)CNc1ccnc(C(=O)[O-])n1 ZINC001604174477 1018312516 /nfs/dbraw/zinc/31/25/16/1018312516.db2.gz PZYJIGXMGOAMRJ-SNVBAGLBSA-N -1 0 318.337 -0.342 20 0 DBADRM C[C@@H](CS(=O)(=O)NCCCn1cccnc1=O)C(=O)[O-] ZINC001604210301 1018322120 /nfs/dbraw/zinc/32/21/20/1018322120.db2.gz VGPANMUQSFYSEG-VIFPVBQESA-N -1 0 303.340 -0.727 20 0 DBADRM C[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)Nc1ncc(C(=O)[O-])cn1 ZINC001604172684 1018312984 /nfs/dbraw/zinc/31/29/84/1018312984.db2.gz AOCNWDVKMGDTGX-RTHLEPHNSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1COCCO1)CNc1ncc(C(=O)[O-])cn1 ZINC001604172758 1018313045 /nfs/dbraw/zinc/31/30/45/1018313045.db2.gz CXZYJKDTZXBUSP-ONGXEEELSA-N -1 0 324.337 -0.246 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001604190473 1018314149 /nfs/dbraw/zinc/31/41/49/1018314149.db2.gz IDWSRZKCUAOIBN-UHFFFAOYSA-N -1 0 304.324 -0.951 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001604189443 1018314800 /nfs/dbraw/zinc/31/48/00/1018314800.db2.gz AJQHCXIWGNHRBZ-UHFFFAOYSA-N -1 0 321.326 -0.207 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1cnnn1C ZINC001604190505 1018315186 /nfs/dbraw/zinc/31/51/86/1018315186.db2.gz MGFUKJYTNRVHBM-QMMMGPOBSA-N -1 0 319.325 -0.702 20 0 DBADRM C[C@@H](CNC(=O)c1cc(N2CCNC(=O)C2)ccn1)C(=O)[O-] ZINC001604184158 1018315602 /nfs/dbraw/zinc/31/56/02/1018315602.db2.gz UGFLXKUYMAKHIB-VIFPVBQESA-N -1 0 306.322 -0.532 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C[NH+]1CCN(C)CC1 ZINC001604183634 1018315649 /nfs/dbraw/zinc/31/56/49/1018315649.db2.gz NMXHPXQYBQAOPP-UPJWGTAASA-N -1 0 313.398 -0.382 20 0 DBADRM CN1C(=O)COc2ccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])cc21 ZINC001604197063 1018316265 /nfs/dbraw/zinc/31/62/65/1018316265.db2.gz VJWNCMPFPBLOSZ-CQSZACIVSA-N -1 0 323.305 -0.001 20 0 DBADRM C[C@](CO)(NC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O)C(=O)[O-] ZINC001604191380 1018316785 /nfs/dbraw/zinc/31/67/85/1018316785.db2.gz OCHAKSBURCKHEK-BLLLJJGKSA-N -1 0 320.345 -0.013 20 0 DBADRM C[C@@](CO)(NC(=O)c1cn(Cc2ccccc2)nn1)C(=O)[O-] ZINC001604193511 1018317148 /nfs/dbraw/zinc/31/71/48/1018317148.db2.gz QYEWHTLNOKARTE-AWEZNQCLSA-N -1 0 304.306 -0.108 20 0 DBADRM C[C@@H](CO)[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001604199147 1018318830 /nfs/dbraw/zinc/31/88/30/1018318830.db2.gz UJDIMTOSDYHVCP-GUBZILKMSA-N -1 0 304.318 -0.465 20 0 DBADRM CCCN(C)C(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001604197945 1018319169 /nfs/dbraw/zinc/31/91/69/1018319169.db2.gz UPPPVEWOQLJRLV-UHFFFAOYSA-N -1 0 307.314 -0.613 20 0 DBADRM C[C@@H](CO)[C@H]1CCCCN1C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001604199149 1018319839 /nfs/dbraw/zinc/31/98/39/1018319839.db2.gz UJDIMTOSDYHVCP-LPEHRKFASA-N -1 0 304.318 -0.465 20 0 DBADRM CN1C[C@H](CCn2nnnc2N2CC[C@](C)(C(=O)[O-])C2)CC1=O ZINC001604200845 1018321077 /nfs/dbraw/zinc/32/10/77/1018321077.db2.gz JGSYGNBHYQAJGS-YGRLFVJLSA-N -1 0 322.369 -0.158 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001604210538 1018321934 /nfs/dbraw/zinc/32/19/34/1018321934.db2.gz HTLCIIBDGMUGJV-MRVPVSSYSA-N -1 0 315.413 -0.208 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC001604206030 1018322349 /nfs/dbraw/zinc/32/23/49/1018322349.db2.gz CCQPBHZVHDSCFG-IUCAKERBSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@H](C(N)=O)c1ccccn1)C(=O)[O-] ZINC001604210186 1018322838 /nfs/dbraw/zinc/32/28/38/1018322838.db2.gz LLUYOTGBIOWPHA-CBAPKCEASA-N -1 0 301.324 -0.752 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC001604206022 1018323121 /nfs/dbraw/zinc/32/31/21/1018323121.db2.gz CCQPBHZVHDSCFG-BDAKNGLRSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@H](C[S@](C)=O)N(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001604210486 1018323336 /nfs/dbraw/zinc/32/33/36/1018323336.db2.gz GQSPTHIAOMQNBI-QDXVKYEASA-N -1 0 318.395 -0.465 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1)C(=O)[O-] ZINC001604207000 1018323801 /nfs/dbraw/zinc/32/38/01/1018323801.db2.gz VTSSZZBEQSPMAZ-IWSPIJDZSA-N -1 0 313.397 -0.456 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@@H]2CCNC(=O)[C@@H]21)C(=O)[O-] ZINC001604206397 1018324003 /nfs/dbraw/zinc/32/40/03/1018324003.db2.gz JJROWYINEUUBOW-OPRDCNLKSA-N -1 0 304.368 -0.363 20 0 DBADRM CCCOC(=O)[C@@H](C)OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604226382 1018325927 /nfs/dbraw/zinc/32/59/27/1018325927.db2.gz KCIDJPOMLKEHER-JGVFFNPUSA-N -1 0 323.313 -0.096 20 0 DBADRM C[C@H](C[S@](C)=O)N(C)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001604211841 1018326003 /nfs/dbraw/zinc/32/60/03/1018326003.db2.gz XVEQUGGYZXNWAV-BTKVJGODSA-N -1 0 314.363 -0.228 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@@H]1CCCCN(C)C1=O)C(=O)[O-] ZINC001604216272 1018326021 /nfs/dbraw/zinc/32/60/21/1018326021.db2.gz GREZLACIJNEBBM-ONGXEEELSA-N -1 0 308.338 -0.080 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001604221273 1018326099 /nfs/dbraw/zinc/32/60/99/1018326099.db2.gz OJAZMIKUKCRIMP-NEPJUHHUSA-N -1 0 311.382 -0.280 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001604214371 1018327214 /nfs/dbraw/zinc/32/72/14/1018327214.db2.gz MCRMCUFLDBRIPA-SNGHESPRSA-N -1 0 304.368 -0.807 20 0 DBADRM CCCOC(=O)[C@@H](C)OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604226379 1018327747 /nfs/dbraw/zinc/32/77/47/1018327747.db2.gz KCIDJPOMLKEHER-HTQZYQBOSA-N -1 0 323.313 -0.096 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001604232565 1018329743 /nfs/dbraw/zinc/32/97/43/1018329743.db2.gz SRJPNXFDAVFDJT-TVQRCGJNSA-N -1 0 317.342 -0.977 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)[C@@H](O)c1ccccn1)C(=O)[O-] ZINC001604241090 1018329756 /nfs/dbraw/zinc/32/97/56/1018329756.db2.gz AFVJJOCWQQIJSU-SMDDNHRTSA-N -1 0 304.306 -0.029 20 0 DBADRM CNC(=O)COc1ccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1 ZINC001604237030 1018329834 /nfs/dbraw/zinc/32/98/34/1018329834.db2.gz NTJQVENPQWTKLI-LLVKDONJSA-N -1 0 321.289 -0.021 20 0 DBADRM CNC(=O)C[NH+]1CCC(NC(=O)c2cc(C(=O)[O-])n[n-]2)CC1 ZINC001604237008 1018329865 /nfs/dbraw/zinc/32/98/65/1018329865.db2.gz LLIWZWIYYQCNRO-UHFFFAOYSA-N -1 0 309.326 -0.952 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)c2cc(C(=O)[O-])n[nH]2)cc1C ZINC001604240975 1018329950 /nfs/dbraw/zinc/32/99/50/1018329950.db2.gz QFRFWDONEOUOCG-UHFFFAOYSA-N -1 0 306.282 -0.389 20 0 DBADRM CN1CCOC[C@]1(CO)CNC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001604227703 1018330686 /nfs/dbraw/zinc/33/06/86/1018330686.db2.gz KWWIQTPMXVZJKW-CQSZACIVSA-N -1 0 324.337 -0.406 20 0 DBADRM C[C@@](Cn1cccn1)(NS(=O)(=O)Cc1ccon1)C(=O)[O-] ZINC001604245233 1018331487 /nfs/dbraw/zinc/33/14/87/1018331487.db2.gz XFKVNROXHCPWHG-NSHDSACASA-N -1 0 314.323 -0.166 20 0 DBADRM CNC(=O)N1CCN(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CC1 ZINC001604241536 1018331504 /nfs/dbraw/zinc/33/15/04/1018331504.db2.gz ZFKBUVYUJGVCCV-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)CCn1cnccc1=O)C(=O)[O-] ZINC001604243953 1018331587 /nfs/dbraw/zinc/33/15/87/1018331587.db2.gz VPIFEDKWTORKNA-AWEZNQCLSA-N -1 0 319.321 -0.510 20 0 DBADRM C[C@](Cn1cccn1)(NCc1cnc(C(=O)[O-])cn1)C(N)=O ZINC001604244509 1018331894 /nfs/dbraw/zinc/33/18/94/1018331894.db2.gz NCYKYYTUFHDGEJ-CYBMUJFWSA-N -1 0 304.310 -0.595 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)c2cn(CC(=O)[O-])nn2)cc1 ZINC001604241609 1018332071 /nfs/dbraw/zinc/33/20/71/1018332071.db2.gz ZZFBFMCAJXJXBC-UHFFFAOYSA-N -1 0 317.305 -0.097 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001604242250 1018332147 /nfs/dbraw/zinc/33/21/47/1018332147.db2.gz XEWOQQGELLIIMZ-VIFPVBQESA-N -1 0 318.337 -0.028 20 0 DBADRM C[C@H](Cn1cncn1)N1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001604248976 1018332560 /nfs/dbraw/zinc/33/25/60/1018332560.db2.gz JNBFQELQKKPCJZ-KXUCPTDWSA-N -1 0 307.310 -0.206 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001604248996 1018332746 /nfs/dbraw/zinc/33/27/46/1018332746.db2.gz CTSQLDUPNLHQEY-OUAUKWLOSA-N -1 0 318.395 -0.115 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001604248431 1018332867 /nfs/dbraw/zinc/33/28/67/1018332867.db2.gz DFJBVDMBPMVONZ-YGRLFVJLSA-N -1 0 323.353 -0.504 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001604246781 1018332905 /nfs/dbraw/zinc/33/29/05/1018332905.db2.gz HKVPHTLZISJKTC-QWRGUYRKSA-N -1 0 308.338 -0.289 20 0 DBADRM CCN(C(=O)C(=O)NCc1nc(-c2nn[nH]n2)cs1)C1CC1 ZINC001604258504 1018333743 /nfs/dbraw/zinc/33/37/43/1018333743.db2.gz WMDGGOJKPLRYFF-UHFFFAOYSA-N -1 0 321.366 -0.050 20 0 DBADRM CNS(=O)(=O)N1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC001604249162 1018334389 /nfs/dbraw/zinc/33/43/89/1018334389.db2.gz ULSLHEZQWKDSCD-UHFFFAOYSA-N -1 0 313.379 -0.033 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001604250194 1018334461 /nfs/dbraw/zinc/33/44/61/1018334461.db2.gz ZWVDVHMWIXMHCD-AOOOYVTPSA-N -1 0 319.383 -0.858 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001604249826 1018334700 /nfs/dbraw/zinc/33/47/00/1018334700.db2.gz RHOXWBKXTYVTCC-BDAKNGLRSA-N -1 0 307.372 -0.522 20 0 DBADRM CNc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cn1 ZINC001604254484 1018334742 /nfs/dbraw/zinc/33/47/42/1018334742.db2.gz WMWQUWQHNMPGBX-VIFPVBQESA-N -1 0 313.335 -0.553 20 0 DBADRM COC(=O)[C@@](C)(O)CNC(=O)C1(C(=O)[O-])CCSCC1 ZINC001604262738 1018336033 /nfs/dbraw/zinc/33/60/33/1018336033.db2.gz MFARHXMKLGQKLG-NSHDSACASA-N -1 0 305.352 -0.375 20 0 DBADRM C[C@H](NC(=O)[C@@H](CO)NC(N)=O)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604264188 1018336471 /nfs/dbraw/zinc/33/64/71/1018336471.db2.gz BDZXZEYZJGEWCM-MVWJERBFSA-N -1 0 323.349 -0.536 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001604265816 1018336856 /nfs/dbraw/zinc/33/68/56/1018336856.db2.gz UYNMUVZFEQENLO-SFYZADRCSA-N -1 0 321.337 -0.833 20 0 DBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001604267911 1018337034 /nfs/dbraw/zinc/33/70/34/1018337034.db2.gz PKJDTNPPGJPUPN-WDEREUQCSA-N -1 0 324.337 -0.173 20 0 DBADRM COC(=O)[C@H](C)CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001604263298 1018337063 /nfs/dbraw/zinc/33/70/63/1018337063.db2.gz YCZCRZOQZRAERV-SSDOTTSWSA-N -1 0 309.278 -0.356 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001604262508 1018337222 /nfs/dbraw/zinc/33/72/22/1018337222.db2.gz IDVGBCPQBYATPB-PTRXPTGYSA-N -1 0 321.351 -0.842 20 0 DBADRM C[C@H](NC(=O)[C@H](CO)NC(N)=O)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604264190 1018337236 /nfs/dbraw/zinc/33/72/36/1018337236.db2.gz BDZXZEYZJGEWCM-WCQGTBRESA-N -1 0 323.349 -0.536 20 0 DBADRM C[C@@H](NC(=O)C1CCCC1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001604264659 1018337454 /nfs/dbraw/zinc/33/74/54/1018337454.db2.gz NIBYAPIMORUBEZ-SECBINFHSA-N -1 0 323.353 -0.213 20 0 DBADRM COC(=O)[C@@H](Cn1cncn1)NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001604267909 1018337895 /nfs/dbraw/zinc/33/78/95/1018337895.db2.gz PKJDTNPPGJPUPN-MNOVXSKESA-N -1 0 324.337 -0.173 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001604262495 1018337928 /nfs/dbraw/zinc/33/79/28/1018337928.db2.gz IDVGBCPQBYATPB-AUTRQRHGSA-N -1 0 321.351 -0.842 20 0 DBADRM COC(=O)C(C)(C)N1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC001604262543 1018338201 /nfs/dbraw/zinc/33/82/01/1018338201.db2.gz JLHLLODWNVXRJY-UHFFFAOYSA-N -1 0 318.395 -0.100 20 0 DBADRM COC(=O)[C@]1(C)C[C@H](OC)CN1CCS(=O)(=O)CC(=O)[O-] ZINC001604272744 1018338832 /nfs/dbraw/zinc/33/88/32/1018338832.db2.gz ZEHGZIAOCOFDPG-CABZTGNLSA-N -1 0 323.367 -0.862 20 0 DBADRM C[C@H](NC(=O)CN1CC(F)(F)C[C@@H]1C(=O)[O-])C(=O)N(C)C ZINC001604275595 1018338903 /nfs/dbraw/zinc/33/89/03/1018338903.db2.gz QEDQAUJTKPSGBO-JGVFFNPUSA-N -1 0 307.297 -0.627 20 0 DBADRM C[C@H](NC(=O)Cc1cc[nH]n1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604277197 1018339039 /nfs/dbraw/zinc/33/90/39/1018339039.db2.gz JGVSDFKUBBNKCC-IUCAKERBSA-N -1 0 318.337 -0.132 20 0 DBADRM COC(=O)[C@@]1(N2CCN(C(=O)[C@@H](C)C(=O)[O-])CC2)CCOC1 ZINC001604275471 1018339230 /nfs/dbraw/zinc/33/92/30/1018339230.db2.gz BOHPWOCPLQHVOI-QMTHXVAHSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)[C@@H]1CN(C)CCO1 ZINC001604277091 1018340408 /nfs/dbraw/zinc/34/04/08/1018340408.db2.gz JEKIQLKKZFDHSP-PWSUYJOCSA-N -1 0 323.349 -0.618 20 0 DBADRM C[C@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)c1ncn(C)n1 ZINC001604277474 1018341043 /nfs/dbraw/zinc/34/10/43/1018341043.db2.gz MHCGRWWUXBPNPB-QMMMGPOBSA-N -1 0 305.294 -0.448 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H]1C[C@@H](O)C1)C[C@@H]2C(=O)[O-] ZINC001604283256 1018341787 /nfs/dbraw/zinc/34/17/87/1018341787.db2.gz FEBWOGSCUYZADK-NIMXYOQQSA-N -1 0 311.334 -0.130 20 0 DBADRM C[C@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)c1ccnn1C ZINC001604287342 1018342812 /nfs/dbraw/zinc/34/28/12/1018342812.db2.gz AJEXPJSBWJZKBY-QMMMGPOBSA-N -1 0 307.314 -0.230 20 0 DBADRM C[C@H](NC(=O)N1C[C@@H](O)[C@H](CO)C1)c1ncc(C(=O)[O-])s1 ZINC001604278735 1018343168 /nfs/dbraw/zinc/34/31/68/1018343168.db2.gz GCBPRCJNBAOAIS-BIIVOSGPSA-N -1 0 315.351 -0.103 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2cc(C(=O)[O-])nn2C)C1 ZINC001604279492 1018343638 /nfs/dbraw/zinc/34/36/38/1018343638.db2.gz CZJXDUDHAUZGRZ-HTQZYQBOSA-N -1 0 311.294 -0.886 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC)CCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001604280357 1018343687 /nfs/dbraw/zinc/34/36/87/1018343687.db2.gz NZLORKAOISGCCN-MXWKQRLJSA-N -1 0 314.338 -0.676 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)COCc1ccnn1C ZINC001604303019 1018345246 /nfs/dbraw/zinc/34/52/46/1018345246.db2.gz GSNXNZMAJWWHLA-UHFFFAOYSA-N -1 0 313.310 -0.587 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001604303648 1018348821 /nfs/dbraw/zinc/34/88/21/1018348821.db2.gz VIGIUACVMIPTTD-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)n1)C1N=NC(=O)N1C ZINC001604296969 1018345436 /nfs/dbraw/zinc/34/54/36/1018345436.db2.gz YRNTUBAQXUEPDW-RXMQYKEDSA-N -1 0 309.286 -0.165 20 0 DBADRM C[C@H](NC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1)C(N)=O ZINC001604295555 1018346377 /nfs/dbraw/zinc/34/63/77/1018346377.db2.gz MDIQFNRGDPTHHR-QMMMGPOBSA-N -1 0 322.321 -0.575 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C[C@H]1CCOC[C@@H]1OC ZINC001604302799 1018346609 /nfs/dbraw/zinc/34/66/09/1018346609.db2.gz BPCNVSKVCOCQHK-MNOVXSKESA-N -1 0 317.338 -0.096 20 0 DBADRM COC(=O)C[C@]1(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCOC1 ZINC001604299662 1018346619 /nfs/dbraw/zinc/34/66/19/1018346619.db2.gz XBSQWEFNJSVMRY-QPUJVOFHSA-N -1 0 300.267 -0.946 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](C(=O)[O-])C2CC2)C[C@H]1C(=O)OC ZINC001604293161 1018346763 /nfs/dbraw/zinc/34/67/63/1018346763.db2.gz RKJNDEGXMNRCAC-BBBLOLIVSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@@H](C(=O)[O-])C2CC2)C[C@H]1C(=O)OC ZINC001604293159 1018346840 /nfs/dbraw/zinc/34/68/40/1018346840.db2.gz RKJNDEGXMNRCAC-AEJSXWLSSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)[C@H]1CSCCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001604292621 1018347196 /nfs/dbraw/zinc/34/71/96/1018347196.db2.gz JLCYGIUJNALBBB-VHSXEESVSA-N -1 0 316.379 -0.285 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C2(C(=O)[O-])CCOCC2)CCO1 ZINC001604292878 1018347470 /nfs/dbraw/zinc/34/74/70/1018347470.db2.gz NINAPFHVCJZFJU-VIFPVBQESA-N -1 0 301.295 -0.732 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H](C)NC(=O)c1cn(C)cn1 ZINC001604316954 1018349087 /nfs/dbraw/zinc/34/90/87/1018349087.db2.gz VFJFOBYHBKTAHO-BDAKNGLRSA-N -1 0 318.337 -0.051 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001604312390 1018349552 /nfs/dbraw/zinc/34/95/52/1018349552.db2.gz AFQWUAXDGRSBSY-WPRPVWTQSA-N -1 0 321.293 -0.741 20 0 DBADRM C[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C(=O)NCCF ZINC001604306270 1018349805 /nfs/dbraw/zinc/34/98/05/1018349805.db2.gz OIKULTMTWCNKES-LPEHRKFASA-N -1 0 304.318 -0.011 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1c[nH]c(=O)cc1OC ZINC001604306515 1018349865 /nfs/dbraw/zinc/34/98/65/1018349865.db2.gz QBPRNEMJYJQQBM-UHFFFAOYSA-N -1 0 312.278 -0.114 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001604306533 1018350358 /nfs/dbraw/zinc/35/03/58/1018350358.db2.gz QMCQSKXZDJFQDB-UHFFFAOYSA-N -1 0 322.277 -0.475 20 0 DBADRM COC(=O)CN(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)C1CCOCC1 ZINC001604326243 1018351338 /nfs/dbraw/zinc/35/13/38/1018351338.db2.gz MZFASGNDFRRECR-JTQLQIEISA-N -1 0 314.294 -0.604 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1cnc2c(c1)nnn2C)C(=O)[O-] ZINC001604322328 1018352686 /nfs/dbraw/zinc/35/26/86/1018352686.db2.gz NVBWEGBWSMHRLR-QMMMGPOBSA-N -1 0 321.293 -0.501 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccccc1N)C(=O)[O-] ZINC001604326649 1018352925 /nfs/dbraw/zinc/35/29/25/1018352925.db2.gz UIKSFPGTNBCGAJ-VIFPVBQESA-N -1 0 316.335 -0.047 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1ccc(C(N)=O)nc1)C(=O)[O-] ZINC001604321819 1018353097 /nfs/dbraw/zinc/35/30/97/1018353097.db2.gz GGKORPBBIWFZDA-VIFPVBQESA-N -1 0 309.278 -0.683 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H]1CCCn2ncnc21)C(=O)[O-] ZINC001604318103 1018353289 /nfs/dbraw/zinc/35/32/89/1018353289.db2.gz ORUKEVYCDRNAMA-IUCAKERBSA-N -1 0 310.310 -0.322 20 0 DBADRM C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)c1nnnn1C ZINC001604350473 1018354343 /nfs/dbraw/zinc/35/43/43/1018354343.db2.gz HHSUYEDXAVROAZ-ZETCQYMHSA-N -1 0 303.344 -0.555 20 0 DBADRM CCN1CC[C@H](OC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1=O ZINC001604340933 1018354463 /nfs/dbraw/zinc/35/44/63/1018354463.db2.gz PBMXQFYILMXAEP-SFYZADRCSA-N -1 0 320.313 -0.817 20 0 DBADRM COC(=O)[C@@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(C)C ZINC001604348019 1018354679 /nfs/dbraw/zinc/35/46/79/1018354679.db2.gz HFGQXQDJNDMAIV-KOLCDFICSA-N -1 0 314.338 -0.377 20 0 DBADRM C[C@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)[C@@H]1CN(C)CCO1 ZINC001604349171 1018355527 /nfs/dbraw/zinc/35/55/27/1018355527.db2.gz LDBBGHLCMRADIV-UWVGGRQHSA-N -1 0 306.384 -0.368 20 0 DBADRM C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@@H](O)C(F)(F)F ZINC001604351097 1018357055 /nfs/dbraw/zinc/35/70/55/1018357055.db2.gz MMJXXSGYBANYAV-CAHLUQPWSA-N -1 0 308.278 -0.461 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC1(C(=O)[O-])CC1 ZINC001604358927 1018357606 /nfs/dbraw/zinc/35/76/06/1018357606.db2.gz QXAYCPJIXPPUEP-ZETCQYMHSA-N -1 0 317.323 -0.753 20 0 DBADRM C[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])[C@@H]1CN(C)CCO1 ZINC001604351582 1018357778 /nfs/dbraw/zinc/35/77/78/1018357778.db2.gz WVIGQMSSCFQXHX-ZJUUUORDSA-N -1 0 308.400 -0.264 20 0 DBADRM COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001604359130 1018357864 /nfs/dbraw/zinc/35/78/64/1018357864.db2.gz DMVACDUDTYQOMB-XPUUQOCRSA-N -1 0 300.246 -0.912 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])C1 ZINC001604354647 1018357978 /nfs/dbraw/zinc/35/79/78/1018357978.db2.gz PKIVSEKPVKMRCS-KXUCPTDWSA-N -1 0 321.351 -0.557 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001604358206 1018358200 /nfs/dbraw/zinc/35/82/00/1018358200.db2.gz LKQRKYHZFXWHFG-OIBJUYFYSA-N -1 0 316.335 -0.428 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C(=O)[O-])c1cccnc1 ZINC001604359517 1018358886 /nfs/dbraw/zinc/35/88/86/1018358886.db2.gz VYBJCPSTEFQUNK-APPZFPTMSA-N -1 0 301.324 -0.739 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNC(=O)c2cnc(C(=O)[O-])cn2)C1(F)F ZINC001604359596 1018362762 /nfs/dbraw/zinc/36/27/62/1018362762.db2.gz ODCRICYBDPSHAU-XNCJUZBTSA-N -1 0 315.232 -0.041 20 0 DBADRM C[C@@](O)(CO)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001604376903 1018364838 /nfs/dbraw/zinc/36/48/38/1018364838.db2.gz VFZDWWYTTYTCNV-AWEZNQCLSA-N -1 0 310.306 -0.888 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])on1 ZINC001604376486 1018365345 /nfs/dbraw/zinc/36/53/45/1018365345.db2.gz WRDSHHLWOKIPPH-ZETCQYMHSA-N -1 0 304.280 -0.301 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001604377287 1018365809 /nfs/dbraw/zinc/36/58/09/1018365809.db2.gz BTEUGCASKJCDDG-CPCISQLKSA-N -1 0 309.322 -0.063 20 0 DBADRM C[C@H](O)[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CCO1 ZINC001604379461 1018366196 /nfs/dbraw/zinc/36/61/96/1018366196.db2.gz FAPYARXIZOVTAQ-CBAPKCEASA-N -1 0 305.308 -0.252 20 0 DBADRM C[C@](O)(CO)CNC(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC001604377011 1018366413 /nfs/dbraw/zinc/36/64/13/1018366413.db2.gz ZHCUNTZHWRDGNJ-LLVKDONJSA-N -1 0 318.355 -0.190 20 0 DBADRM C[C@@H](O)[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCO1 ZINC001604380284 1018367218 /nfs/dbraw/zinc/36/72/18/1018367218.db2.gz KUPWJEYLSWYMTI-GMSGAONNSA-N -1 0 304.324 -0.517 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCO1 ZINC001604381620 1018367606 /nfs/dbraw/zinc/36/76/06/1018367606.db2.gz YFISQWPVCQANFN-NNYUYHANSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@H](O)CN(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[C@@H](C)CO ZINC001604387389 1018368086 /nfs/dbraw/zinc/36/80/86/1018368086.db2.gz VLSGUFLJMVHVHW-UKKRHICBSA-N -1 0 304.343 -0.751 20 0 DBADRM C[C@@H](CNC(=O)NCCC(=O)NCCC(=O)[O-])C[C@H](C)O ZINC001604383964 1018368296 /nfs/dbraw/zinc/36/82/96/1018368296.db2.gz RSJGQDUNQQVZDQ-ZJUUUORDSA-N -1 0 303.359 -0.326 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001604386779 1018368686 /nfs/dbraw/zinc/36/86/86/1018368686.db2.gz MUBPQLWCHMKURJ-MRVPVSSYSA-N -1 0 304.324 -0.856 20 0 DBADRM C[C@H](O)CN1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)[C@H](C)C1 ZINC001604387368 1018368731 /nfs/dbraw/zinc/36/87/31/1018368731.db2.gz OCSHVMKCHHGSCY-MNOVXSKESA-N -1 0 320.411 -0.290 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCO1 ZINC001604381621 1018368844 /nfs/dbraw/zinc/36/88/44/1018368844.db2.gz YFISQWPVCQANFN-WRWGMCAJSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@H](O)[C@H]1CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC001604381455 1018368897 /nfs/dbraw/zinc/36/88/97/1018368897.db2.gz VTGKGJHPUYQFQJ-ZRUFSTJUSA-N -1 0 307.368 -0.349 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)CCCn2ccc(C(=O)[O-])n2)CCO1 ZINC001604380108 1018369161 /nfs/dbraw/zinc/36/91/61/1018369161.db2.gz JPBGUIFUIRDNSD-PWSUYJOCSA-N -1 0 311.338 -0.030 20 0 DBADRM C[C@@H](OC(=O)C(C)(C)S(=O)(=O)C1CC1)C(=O)NCC(=O)[O-] ZINC001604392673 1018371457 /nfs/dbraw/zinc/37/14/57/1018371457.db2.gz LVZJICFVTSDQLO-SSDOTTSWSA-N -1 0 321.351 -0.525 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)NCC(=O)[O-] ZINC001604393345 1018372416 /nfs/dbraw/zinc/37/24/16/1018372416.db2.gz ITQNMLLNLURIMY-BDAKNGLRSA-N -1 0 314.338 -0.234 20 0 DBADRM CCO[C@H](Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O)C1CC1 ZINC001604405056 1018374004 /nfs/dbraw/zinc/37/40/04/1018374004.db2.gz SVKWDXXSJUYFMG-SNVBAGLBSA-N -1 0 306.326 -0.458 20 0 DBADRM CCOCC(=O)NC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001604416219 1018374115 /nfs/dbraw/zinc/37/41/15/1018374115.db2.gz LHOIZQVCUYLJOG-QMMMGPOBSA-N -1 0 306.330 -0.968 20 0 DBADRM C[C@H](OC(=O)CNC(=O)c1cccc(O)c1)C(=O)NCC(=O)[O-] ZINC001604402744 1018374834 /nfs/dbraw/zinc/37/48/34/1018374834.db2.gz VKXCAMWMKOEHTJ-QMMMGPOBSA-N -1 0 324.289 -0.746 20 0 DBADRM CCOCC(=O)NC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001604416218 1018375015 /nfs/dbraw/zinc/37/50/15/1018375015.db2.gz LHOIZQVCUYLJOG-MRVPVSSYSA-N -1 0 306.330 -0.968 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC001604420720 1018376430 /nfs/dbraw/zinc/37/64/30/1018376430.db2.gz BVSCIHOMFSQFGH-IAQYHMDHSA-N -1 0 306.318 -0.258 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001604422883 1018376561 /nfs/dbraw/zinc/37/65/61/1018376561.db2.gz UXUUGWQZMUTAHN-VHSXEESVSA-N -1 0 320.367 -0.888 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCNC(=O)[C@@H]1c1ccccc1F ZINC001604420751 1018377775 /nfs/dbraw/zinc/37/77/75/1018377775.db2.gz CNIPECIEZAWMHN-QWRGUYRKSA-N -1 0 310.281 -0.075 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC(OC)(c2nccn2C)CC1 ZINC001604421923 1018378157 /nfs/dbraw/zinc/37/81/57/1018378157.db2.gz NNBAGHKNSOPSSU-JTQLQIEISA-N -1 0 311.338 -0.016 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC001604420719 1018378215 /nfs/dbraw/zinc/37/82/15/1018378215.db2.gz BVSCIHOMFSQFGH-ABAIWWIYSA-N -1 0 306.318 -0.258 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001604421185 1018378740 /nfs/dbraw/zinc/37/87/40/1018378740.db2.gz HXRADXQHLZHORC-QWRGUYRKSA-N -1 0 313.354 -0.310 20 0 DBADRM CCOCCNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604429353 1018380318 /nfs/dbraw/zinc/38/03/18/1018380318.db2.gz MSOHJQRKGKGDEK-UHFFFAOYSA-N -1 0 309.282 -0.231 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCc2[nH]cnc2C12CCOCC2 ZINC001604424113 1018380414 /nfs/dbraw/zinc/38/04/14/1018380414.db2.gz MBNAALPTAGYRNK-SNVBAGLBSA-N -1 0 309.322 -0.100 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC001604423721 1018381559 /nfs/dbraw/zinc/38/15/59/1018381559.db2.gz HNCRRARNKNJQFX-RKDXNWHRSA-N -1 0 302.352 -0.390 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC[C@H]1CCCN(Cc2ncon2)C1 ZINC001604431882 1018382349 /nfs/dbraw/zinc/38/23/49/1018382349.db2.gz ISFYLIHCSNZKEC-MWLCHTKSSA-N -1 0 312.326 -0.503 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N(C)CCC1=NC(=O)C(C)C(=O)N1 ZINC001604450572 1018383698 /nfs/dbraw/zinc/38/36/98/1018383698.db2.gz JWCITBQUWKPTAA-ZDUSSCGKSA-N -1 0 313.310 -0.313 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCC1(O)CCC2(CC1)OCCO2 ZINC001604454761 1018383809 /nfs/dbraw/zinc/38/38/09/1018383809.db2.gz CESDWQLYUIESSA-LBPRGKRZSA-N -1 0 317.338 -0.360 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)OC[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001604461350 1018384106 /nfs/dbraw/zinc/38/41/06/1018384106.db2.gz IDNZGOQGZHPLTF-SKDRFNHKSA-N -1 0 323.367 -0.309 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Oc1ccc(C(=O)NCC(N)=O)cc1 ZINC001604473687 1018385783 /nfs/dbraw/zinc/38/57/83/1018385783.db2.gz ZGUQTTLETAPNDD-CQSZACIVSA-N -1 0 324.289 -0.703 20 0 DBADRM CO[C@H](CNC(=O)c1cccn(CC(=O)[O-])c1=O)[C@@H]1CCOC1 ZINC001604481448 1018385998 /nfs/dbraw/zinc/38/59/98/1018385998.db2.gz MOJXDNBTOVFFNJ-ZYHUDNBSSA-N -1 0 324.333 -0.286 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001604463368 1018386310 /nfs/dbraw/zinc/38/63/10/1018386310.db2.gz OQMBOJJTFKSTMM-GFCCVEGCSA-N -1 0 323.367 -0.814 20 0 DBADRM C[C@@H](c1ccccc1F)[C@@H](O)C(=O)NCC(=O)NCC(=O)[O-] ZINC001604470611 1018388289 /nfs/dbraw/zinc/38/82/89/1018388289.db2.gz JFXQGOSPWJGBJP-ISVAXAHUSA-N -1 0 312.297 -0.393 20 0 DBADRM CO[C@]1(C(=O)Nc2ccnc(C(=O)[O-])c2)CCS(=O)(=O)C1 ZINC001604481958 1018388356 /nfs/dbraw/zinc/38/83/56/1018388356.db2.gz ZTVLTMOCPBNVNA-GFCCVEGCSA-N -1 0 314.319 -0.078 20 0 DBADRM CO[C@]1(CNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)CCS(=O)(=O)C1 ZINC001604486883 1018388823 /nfs/dbraw/zinc/38/88/23/1018388823.db2.gz DVDXFBUMEYALOM-QWHCGFSZSA-N -1 0 319.379 -0.193 20 0 DBADRM C[C@@]1(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CCNC(=O)C1 ZINC001604484879 1018389056 /nfs/dbraw/zinc/38/90/56/1018389056.db2.gz VFKVABDPAFVTQO-KGLIPLIRSA-N -1 0 309.322 -0.265 20 0 DBADRM CO[C@@]1(CNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)CCS(=O)(=O)C1 ZINC001604486880 1018389483 /nfs/dbraw/zinc/38/94/83/1018389483.db2.gz DVDXFBUMEYALOM-CHWSQXEVSA-N -1 0 319.379 -0.193 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC001604489318 1018389840 /nfs/dbraw/zinc/38/98/40/1018389840.db2.gz CYDJWATYNJERHC-BUWBCJGYSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@]1(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CCC(=O)NC1 ZINC001604485105 1018390820 /nfs/dbraw/zinc/39/08/20/1018390820.db2.gz YXKYDVKSOHCTIJ-ZDUSSCGKSA-N -1 0 307.310 -0.724 20 0 DBADRM CC1(C(=O)NC[C@@H](O)CNc2ccnc(C(=O)[O-])n2)CCC1 ZINC001604486986 1018390901 /nfs/dbraw/zinc/39/09/01/1018390901.db2.gz PENWBMPFRBLCKA-VIFPVBQESA-N -1 0 308.338 -0.324 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001604488838 1018390987 /nfs/dbraw/zinc/39/09/87/1018390987.db2.gz NRTDDDPLZHDISU-RKDXNWHRSA-N -1 0 302.342 -0.347 20 0 DBADRM CC[C@@H]1C[C@H]1Cn1c(=O)c(-c2nnn[n-]2)cn(CCO)c1=O ZINC001604491351 1018391950 /nfs/dbraw/zinc/39/19/50/1018391950.db2.gz RSXYPCRHFAYJTI-BDAKNGLRSA-N -1 0 306.326 -0.772 20 0 DBADRM CO[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001604501052 1018392135 /nfs/dbraw/zinc/39/21/35/1018392135.db2.gz ODQXGNBMIBLHFK-JTQLQIEISA-N -1 0 324.337 -0.066 20 0 DBADRM COC1(OC)CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C[C@@H]1O ZINC001604491473 1018393127 /nfs/dbraw/zinc/39/31/27/1018393127.db2.gz AJXVBCXNQYACBV-CABZTGNLSA-N -1 0 303.311 -0.798 20 0 DBADRM COC1(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCOCC1 ZINC001604492018 1018393133 /nfs/dbraw/zinc/39/31/33/1018393133.db2.gz VJLUHIUNKOGQPX-JTQLQIEISA-N -1 0 322.383 -0.435 20 0 DBADRM CC1(C)C[C@@](C)(NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C(=O)O1 ZINC001604514071 1018394177 /nfs/dbraw/zinc/39/41/77/1018394177.db2.gz JKODTIAKOCCGPA-LLVKDONJSA-N -1 0 317.323 -0.130 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)OC ZINC001604515515 1018395383 /nfs/dbraw/zinc/39/53/83/1018395383.db2.gz XOPCYCFQMCGYOB-NXEZZACHSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@@H](CCNC(=O)c1cccn(CC(=O)[O-])c1=O)OC ZINC001604514492 1018395393 /nfs/dbraw/zinc/39/53/93/1018395393.db2.gz GYVOGGZSNSGBOK-SNVBAGLBSA-N -1 0 312.322 -0.286 20 0 DBADRM CC1(C)CCN(CN(CCN2CCOCC2)CC(=O)[O-])C1=O ZINC001604535129 1018396869 /nfs/dbraw/zinc/39/68/69/1018396869.db2.gz CDRZTDGOFPOJSB-UHFFFAOYSA-N -1 0 313.398 -0.079 20 0 DBADRM COC[C@@H](O)CCNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001604516821 1018397172 /nfs/dbraw/zinc/39/71/72/1018397172.db2.gz ZJCCATNYNVUFDL-JTQLQIEISA-N -1 0 311.294 -0.768 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@H](CO)NC(=O)C(C)C)C1 ZINC001604533877 1018397742 /nfs/dbraw/zinc/39/77/42/1018397742.db2.gz NANMTUKLTGALBC-IINYFYTJSA-N -1 0 316.354 -0.931 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)/C=C/c2cnccn2)CCO1 ZINC001604549967 1018399078 /nfs/dbraw/zinc/39/90/78/1018399078.db2.gz FJBGPYRQBICVLZ-HSWBROFVSA-N -1 0 307.306 -0.182 20 0 DBADRM CC1(C)C[C@@H]1NC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001604553674 1018399490 /nfs/dbraw/zinc/39/94/90/1018399490.db2.gz ZEJTWPIDGXQTEF-AMJWSMQMSA-N -1 0 310.350 -0.149 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CCCn2cncn2)CCO1 ZINC001604551178 1018399526 /nfs/dbraw/zinc/39/95/26/1018399526.db2.gz OMWWVDHPNPXTES-CYBMUJFWSA-N -1 0 312.326 -0.613 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)N[C@@H]2CCn3ccnc32)CCO1 ZINC001604549095 1018399995 /nfs/dbraw/zinc/39/99/95/1018399995.db2.gz CZSXWXIQXGDXNU-QMTHXVAHSA-N -1 0 324.337 -0.161 20 0 DBADRM COCCN(C[C@H](O)C(F)(F)F)C(=O)[C@H](OC)C(=O)[O-] ZINC001604597804 1018410475 /nfs/dbraw/zinc/41/04/75/1018410475.db2.gz NEFBIIQXWTVRTN-BQBZGAKWSA-N -1 0 303.233 -0.516 20 0 DBADRM CC1(C)COCCN1CCNS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001604553716 1018400161 /nfs/dbraw/zinc/40/01/61/1018400161.db2.gz ZXSFELGVGVJFPY-UHFFFAOYSA-N -1 0 320.411 -0.119 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cc(F)c[nH]c2=O)CCO1 ZINC001604556336 1018400449 /nfs/dbraw/zinc/40/04/49/1018400449.db2.gz DHIFOQCRJCEOQH-ZDUSSCGKSA-N -1 0 314.269 -0.132 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@@H]2C[C@@H]3COC[C@H]3O2)CCO1 ZINC001604557532 1018401729 /nfs/dbraw/zinc/40/17/29/1018401729.db2.gz HMWDGXZEHDBFNR-CZXHOFHRSA-N -1 0 301.339 -0.408 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2ccc(C(N)=O)o2)CCO1 ZINC001604557337 1018402198 /nfs/dbraw/zinc/40/21/98/1018402198.db2.gz MKHZGFVYMRFTMO-ZDUSSCGKSA-N -1 0 312.278 -0.679 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)Nc2ccncc2F)CCO1 ZINC001604558026 1018402266 /nfs/dbraw/zinc/40/22/66/1018402266.db2.gz SNTKRRANCXVAGP-CYBMUJFWSA-N -1 0 313.285 -0.024 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2ccccn2)CCO1 ZINC001604564729 1018402328 /nfs/dbraw/zinc/40/23/28/1018402328.db2.gz OAAKVMOVXNHYHC-LBPRGKRZSA-N -1 0 316.335 -0.428 20 0 DBADRM CCc1nc(NC[C@H]2CC(C(N)=O)=NO2)cc(-c2nn[nH]n2)n1 ZINC001604563934 1018402588 /nfs/dbraw/zinc/40/25/88/1018402588.db2.gz ZCQIOPYTXOATTP-ZCFIWIBFSA-N -1 0 317.313 -0.739 20 0 DBADRM COC[C@@H]1CCN1C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001604566937 1018405112 /nfs/dbraw/zinc/40/51/12/1018405112.db2.gz DFZCJFHBUQUQOQ-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM COC[C@]1(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)CCOC1 ZINC001604566719 1018405365 /nfs/dbraw/zinc/40/53/65/1018405365.db2.gz BOIKZCSHLSDLJU-TVQRCGJNSA-N -1 0 301.295 -0.732 20 0 DBADRM COCC1(CCn2nnnc2N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC001604566784 1018405426 /nfs/dbraw/zinc/40/54/26/1018405426.db2.gz FXWHBHGPUNHNAQ-SNVBAGLBSA-N -1 0 311.342 -0.220 20 0 DBADRM COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)COCC(=O)[O-])O1 ZINC001604567066 1018405631 /nfs/dbraw/zinc/40/56/31/1018405631.db2.gz GDNVYJXWVQZQFC-SDDRHHMPSA-N -1 0 317.338 -0.491 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2cscn2)CCO1 ZINC001604565779 1018405649 /nfs/dbraw/zinc/40/56/49/1018405649.db2.gz ZAHXCBPIQMXJOA-SNVBAGLBSA-N -1 0 322.364 -0.366 20 0 DBADRM C[C@]1(CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])CCO[C@@H]1C1CC1 ZINC001604574905 1018406301 /nfs/dbraw/zinc/40/63/01/1018406301.db2.gz FLVOQXJMAPZSNG-IMSIIYSGSA-N -1 0 316.329 -0.153 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)CCCS1 ZINC001604575646 1018406980 /nfs/dbraw/zinc/40/69/80/1018406980.db2.gz OTJRCBPIZWXVSI-NSHDSACASA-N -1 0 302.352 -0.954 20 0 DBADRM C[C@@]1(CCCC(=O)N2CC3CC2(C(=O)[O-])C3)NC(=O)NC1=O ZINC001604572392 1018406743 /nfs/dbraw/zinc/40/67/43/1018406743.db2.gz HEAQIKPHSRYPQH-KQZUMFKRSA-N -1 0 309.322 -0.170 20 0 DBADRM COC[C@@H]1COCCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604573318 1018406760 /nfs/dbraw/zinc/40/67/60/1018406760.db2.gz CVFKCZFGPISYQA-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM CC1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)OCCCO1 ZINC001604580818 1018407358 /nfs/dbraw/zinc/40/73/58/1018407358.db2.gz XLEAWQBIEFQMEU-UHFFFAOYSA-N -1 0 322.383 -0.230 20 0 DBADRM COCCCN(C)C(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001604578510 1018407564 /nfs/dbraw/zinc/40/75/64/1018407564.db2.gz JCNMYLUHBFUJAN-UHFFFAOYSA-N -1 0 316.354 -0.521 20 0 DBADRM C[C@]1(CNC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CCC(=O)N1 ZINC001604578005 1018407801 /nfs/dbraw/zinc/40/78/01/1018407801.db2.gz XBXDFVFQVITPPB-SMDDNHRTSA-N -1 0 313.354 -0.478 20 0 DBADRM COC[C@H]1COCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001604573279 1018407838 /nfs/dbraw/zinc/40/78/38/1018407838.db2.gz BUWXXRFQGGFPLF-NSHDSACASA-N -1 0 320.342 -0.839 20 0 DBADRM CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)OCCCO1 ZINC001604580527 1018408013 /nfs/dbraw/zinc/40/80/13/1018408013.db2.gz SXEJKQBGHFARCQ-UHFFFAOYSA-N -1 0 306.296 -0.196 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC001604596368 1018409078 /nfs/dbraw/zinc/40/90/78/1018409078.db2.gz KPSCIRVJQDLQLR-VXGBXAGGSA-N -1 0 317.386 -0.162 20 0 DBADRM C[C@@]1(NS(=O)(=O)c2cc(C(=O)[O-])ccn2)CCOC1=O ZINC001604597859 1018409532 /nfs/dbraw/zinc/40/95/32/1018409532.db2.gz LPYVEWSLESELMP-LLVKDONJSA-N -1 0 300.292 -0.236 20 0 DBADRM C[C@]1(NC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)CCOC1=O ZINC001604589819 1018409585 /nfs/dbraw/zinc/40/95/85/1018409585.db2.gz CJXCTRGAUYOFTO-ZDUSSCGKSA-N -1 0 308.294 -0.078 20 0 DBADRM C[C@]1(NC(=O)c2cnon2)CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001604592540 1018409897 /nfs/dbraw/zinc/40/98/97/1018409897.db2.gz VLQXDTHAECVQTQ-ZDUSSCGKSA-N -1 0 318.293 -0.043 20 0 DBADRM C[C@]12CN(S(=O)(=O)CCCC(=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001604605641 1018411217 /nfs/dbraw/zinc/41/12/17/1018411217.db2.gz IVFXTYQLCDOHEP-TXEJJXNPSA-N -1 0 318.351 -0.834 20 0 DBADRM CC1=C(C(=O)N2CC3CC2(C(=O)[O-])C3)Cn2nnnc2N1C ZINC001604608084 1018411375 /nfs/dbraw/zinc/41/13/75/1018411375.db2.gz UYYCTHXZBHJJDL-UHFFFAOYSA-N -1 0 304.310 -0.528 20 0 DBADRM COCCO[C@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC001604611538 1018411386 /nfs/dbraw/zinc/41/13/86/1018411386.db2.gz FMOHHIYVIBRCEW-QWRGUYRKSA-N -1 0 316.354 -0.571 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2nc(C)oc2C)c1=O ZINC001604601066 1018412076 /nfs/dbraw/zinc/41/20/76/1018412076.db2.gz JGMUGUJVCJDOHO-UHFFFAOYSA-N -1 0 317.309 -0.137 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCc1ccc(C(N)=O)nc1 ZINC001604600572 1018412533 /nfs/dbraw/zinc/41/25/33/1018412533.db2.gz PPODPVCXTSKKAK-UHFFFAOYSA-N -1 0 324.337 -0.187 20 0 DBADRM CC1=C(C(=O)N2CCC(C(=O)[O-])CC2)S(=O)(=O)CCO1 ZINC001604606887 1018412562 /nfs/dbraw/zinc/41/25/62/1018412562.db2.gz DDUCKUGRUKMCCI-UHFFFAOYSA-N -1 0 303.336 -0.014 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC2CCC(=O)CC2)c1=O ZINC001604601094 1018412831 /nfs/dbraw/zinc/41/28/31/1018412831.db2.gz KZQNYIOJHGAEQN-UHFFFAOYSA-N -1 0 318.337 -0.031 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cc(C)ccn2)c1=O ZINC001604601264 1018413188 /nfs/dbraw/zinc/41/31/88/1018413188.db2.gz QIRHYFPQSPIITD-UHFFFAOYSA-N -1 0 313.321 -0.038 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cc(C)no2)c1=O ZINC001604600486 1018413260 /nfs/dbraw/zinc/41/32/60/1018413260.db2.gz BMSZIQGHVMKXQP-UHFFFAOYSA-N -1 0 303.282 -0.445 20 0 DBADRM COCCOCCn1nnnc1N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001604617363 1018414065 /nfs/dbraw/zinc/41/40/65/1018414065.db2.gz DOYZJJBPWPMOTA-QWRGUYRKSA-N -1 0 313.358 -0.117 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1occc1C(=O)[O-] ZINC001604619901 1018414629 /nfs/dbraw/zinc/41/46/29/1018414629.db2.gz GIQBOJVDYKOVEG-SSDOTTSWSA-N -1 0 302.308 -0.171 20 0 DBADRM C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)c1cc(C(=O)[O-])co1 ZINC001604619972 1018414708 /nfs/dbraw/zinc/41/47/08/1018414708.db2.gz HPYASXDJJBASKN-ZCFIWIBFSA-N -1 0 316.291 -0.432 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1=O ZINC001604614260 1018414836 /nfs/dbraw/zinc/41/48/36/1018414836.db2.gz BPISNJZSLCNZTK-MNOVXSKESA-N -1 0 324.333 -0.624 20 0 DBADRM COCCOCCn1nnnc1N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001604617360 1018414957 /nfs/dbraw/zinc/41/49/57/1018414957.db2.gz DOYZJJBPWPMOTA-GHMZBOCLSA-N -1 0 313.358 -0.117 20 0 DBADRM COCCOC[C@@H]1CCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001604618656 1018414978 /nfs/dbraw/zinc/41/49/78/1018414978.db2.gz ZCGNBUWWJZEUCL-LLVKDONJSA-N -1 0 309.384 -0.529 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H](C)/C=C/C(=O)[O-] ZINC001604618757 1018415662 /nfs/dbraw/zinc/41/56/62/1018415662.db2.gz TVINSPWFUZWOCY-SMMXGFFBSA-N -1 0 301.324 -0.333 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001604621519 1018416871 /nfs/dbraw/zinc/41/68/71/1018416871.db2.gz XICARTFDKOEETJ-SSDOTTSWSA-N -1 0 308.294 -0.692 20 0 DBADRM COCCn1ccc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)n1 ZINC001604629909 1018417301 /nfs/dbraw/zinc/41/73/01/1018417301.db2.gz OUVAEHZSHWRVDC-SNVBAGLBSA-N -1 0 311.294 -0.628 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N(C)Cc1cn(C)nn1 ZINC001604624372 1018417308 /nfs/dbraw/zinc/41/73/08/1018417308.db2.gz QVGPBVQGARUADZ-WPRPVWTQSA-N -1 0 309.326 -0.905 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCC(CCO)CC1 ZINC001604623305 1018417734 /nfs/dbraw/zinc/41/77/34/1018417734.db2.gz KKSPHGUBDBPWMC-ZYHUDNBSSA-N -1 0 312.366 -0.071 20 0 DBADRM COCCS(=O)(=O)CC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001604625741 1018417839 /nfs/dbraw/zinc/41/78/39/1018417839.db2.gz BDTMPCXRMZXCSF-UHFFFAOYSA-N -1 0 302.308 -0.221 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCc1nc(C2CC2)no1 ZINC001604627250 1018417869 /nfs/dbraw/zinc/41/78/69/1018417869.db2.gz PWIDIMFSYAZICC-CBAPKCEASA-N -1 0 322.321 -0.115 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCCc1cnn(C)c1 ZINC001604627082 1018417926 /nfs/dbraw/zinc/41/79/26/1018417926.db2.gz OCULXLINPZTUDY-ZYHUDNBSSA-N -1 0 322.365 -0.210 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001604621461 1018418573 /nfs/dbraw/zinc/41/85/73/1018418573.db2.gz JUJXQZXRXACDEZ-ZETCQYMHSA-N -1 0 308.294 -0.991 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001604639717 1018419725 /nfs/dbraw/zinc/41/97/25/1018419725.db2.gz QPSWQMLRMIXYNN-YFKTTZPYSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=S)NCCN1CCOCC1 ZINC001604638301 1018419891 /nfs/dbraw/zinc/41/98/91/1018419891.db2.gz WRZUNWOWDILPNE-GHMZBOCLSA-N -1 0 301.412 -0.012 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001604635454 1018420277 /nfs/dbraw/zinc/42/02/77/1018420277.db2.gz BRBRVAIVUQAGSI-MXWKQRLJSA-N -1 0 306.384 -0.558 20 0 DBADRM COC[C@@H](C(N)=O)N(C)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001604639875 1018420386 /nfs/dbraw/zinc/42/03/86/1018420386.db2.gz WYKDQOHFZZURMC-AEJSXWLSSA-N -1 0 302.327 -0.785 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001604640226 1018420522 /nfs/dbraw/zinc/42/05/22/1018420522.db2.gz VQASOTBNUPRPPG-QEYWKRMJSA-N -1 0 305.352 -0.347 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(-n2cnnn2)cn1 ZINC001604635228 1018420568 /nfs/dbraw/zinc/42/05/68/1018420568.db2.gz UJHOMZMJSYIOEI-WPRPVWTQSA-N -1 0 302.294 -0.008 20 0 DBADRM COCc1cc(NC(=O)C(=O)N(C)CCCC(=O)[O-])ncn1 ZINC001604640595 1018420648 /nfs/dbraw/zinc/42/06/48/1018420648.db2.gz DRZKQJHSAAJDTI-UHFFFAOYSA-N -1 0 310.310 -0.115 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001604638848 1018420813 /nfs/dbraw/zinc/42/08/13/1018420813.db2.gz DCKNKRHIFXSXMY-WDEREUQCSA-N -1 0 322.383 -0.891 20 0 DBADRM COC[C@H](C)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001604638571 1018420890 /nfs/dbraw/zinc/42/08/90/1018420890.db2.gz BPZGODVNWFLXBE-VHSXEESVSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@@H]1[C@H](Nc2ncc(C(=O)[O-])cn2)CCN1C(=O)CC(N)=O ZINC001604646667 1018420946 /nfs/dbraw/zinc/42/09/46/1018420946.db2.gz PJCNULYDRVDEFR-VXNVDRBHSA-N -1 0 307.310 -0.549 20 0 DBADRM CON(C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@@H](C)C(=O)[O-] ZINC001604654479 1018422951 /nfs/dbraw/zinc/42/29/51/1018422951.db2.gz DMVADPUMKBWJEU-LPEHRKFASA-N -1 0 310.306 -0.199 20 0 DBADRM C[C@H]1C[C@H](C(=O)NCCNc2ccnc(C(=O)[O-])n2)CCO1 ZINC001604647915 1018423086 /nfs/dbraw/zinc/42/30/86/1018423086.db2.gz APMCOXPDZGXZFZ-VHSXEESVSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)Cn1ccc(=O)n(C)c1=O ZINC001604659588 1018423179 /nfs/dbraw/zinc/42/31/79/1018423179.db2.gz YCYCHEDVCIPJKN-JGPRNRPPSA-N -1 0 323.349 -0.353 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CO1 ZINC001604648347 1018423469 /nfs/dbraw/zinc/42/34/69/1018423469.db2.gz NNJDAQSMPCRSHR-XUJVJEKNSA-N -1 0 312.366 -0.201 20 0 DBADRM CON1CCC(NC(=O)NCCOCCOCC(=O)[O-])CC1 ZINC001604661484 1018423631 /nfs/dbraw/zinc/42/36/31/1018423631.db2.gz MTWXUVRREPZPGC-UHFFFAOYSA-N -1 0 319.358 -0.571 20 0 DBADRM C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001604661645 1018423762 /nfs/dbraw/zinc/42/37/62/1018423762.db2.gz BGFXLPPHAQNZBJ-KXNHARMFSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CO1 ZINC001604648344 1018423792 /nfs/dbraw/zinc/42/37/92/1018423792.db2.gz NNJDAQSMPCRSHR-JMSVASOKSA-N -1 0 312.366 -0.201 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001604669180 1018425499 /nfs/dbraw/zinc/42/54/99/1018425499.db2.gz NWBDBIUMJWTSMF-NWDGAFQWSA-N -1 0 322.317 -0.218 20 0 DBADRM CON(C)C[C@H](O)Cn1cc(NC(=O)[C@@H](C)C(=O)[O-])cn1 ZINC001604663469 1018425778 /nfs/dbraw/zinc/42/57/78/1018425778.db2.gz SWSZQMQGBHXXBI-SCZZXKLOSA-N -1 0 300.315 -0.604 20 0 DBADRM CC(C)(C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001500716072 1018426021 /nfs/dbraw/zinc/42/60/21/1018426021.db2.gz ZTRJFJYVUBOXDI-OAHLLOKOSA-N -1 0 323.397 -0.001 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CCO1 ZINC001604672464 1018427211 /nfs/dbraw/zinc/42/72/11/1018427211.db2.gz LXJKQLNMGPZMJC-SFYZADRCSA-N -1 0 310.310 -0.260 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H]2CCS(=O)(=O)[C@@H](C)C2)O[C@H]1C(=O)[O-] ZINC001604674631 1018427833 /nfs/dbraw/zinc/42/78/33/1018427833.db2.gz YXFAQXHLQWAEBW-RCZSTQMZSA-N -1 0 319.379 -0.054 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H]1C[C@@H](C)O[C@H]1C)C(=O)[O-] ZINC001604675496 1018428038 /nfs/dbraw/zinc/42/80/38/1018428038.db2.gz DXQRWHIRIXZZIQ-MBGOZMDMSA-N -1 0 301.343 -0.171 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CS1 ZINC001604672557 1018428074 /nfs/dbraw/zinc/42/80/74/1018428074.db2.gz ODZVMEMEGKLREN-JLIMGVALSA-N -1 0 316.379 -0.303 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@@H](C)C2)C[C@@H](C(=O)[O-])O1 ZINC001604673964 1018428249 /nfs/dbraw/zinc/42/82/49/1018428249.db2.gz ZLZZDBTTWMNOJS-VLEAKVRGSA-N -1 0 314.338 -0.629 20 0 DBADRM C[C@@H]1C[C@H]1CNC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001604688405 1018430006 /nfs/dbraw/zinc/43/00/06/1018430006.db2.gz KCAZRIVFKXJJAU-UTUOFQBUSA-N -1 0 311.382 -0.234 20 0 DBADRM C[C@H]1C[C@@H]1CNC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001604688314 1018430719 /nfs/dbraw/zinc/43/07/19/1018430719.db2.gz IZCVYBHBFUYNKA-BQVMBELUSA-N -1 0 310.350 -0.292 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC12CCC2 ZINC001500732697 1018430925 /nfs/dbraw/zinc/43/09/25/1018430925.db2.gz MFAMGNZWLYXOKO-ZUZCIYMTSA-N -1 0 321.381 -0.247 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CC12CCC2 ZINC001500732694 1018431832 /nfs/dbraw/zinc/43/18/32/1018431832.db2.gz MFAMGNZWLYXOKO-BMIGLBTASA-N -1 0 321.381 -0.247 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])Cc1cc(-c2nn[nH]n2)cs1 ZINC001604709758 1018433292 /nfs/dbraw/zinc/43/32/92/1018433292.db2.gz HBZZOOFTHGMAHN-UHFFFAOYSA-N -1 0 310.339 -0.439 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)[nH]n1 ZINC001604721479 1018433350 /nfs/dbraw/zinc/43/33/50/1018433350.db2.gz BJTRODCEZSYRDJ-SFYZADRCSA-N -1 0 310.310 -0.074 20 0 DBADRM C[C@@H]1CC[C@@H](CNC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)O1 ZINC001604699528 1018433765 /nfs/dbraw/zinc/43/37/65/1018433765.db2.gz XZMYVTABSJEBDX-ZNSHCXBVSA-N -1 0 314.338 -0.629 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)NCCOCC(=O)[O-])CS1(=O)=O ZINC001604703255 1018433774 /nfs/dbraw/zinc/43/37/74/1018433774.db2.gz HNERGCLUUJZLBB-RKDXNWHRSA-N -1 0 308.356 -0.648 20 0 DBADRM C[C@H](OC(=O)C(=O)N1CCC[C@H](C)C1)C(=O)NCC(=O)[O-] ZINC001604733542 1018435383 /nfs/dbraw/zinc/43/53/83/1018435383.db2.gz CVLKYOPWLAXWNZ-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM CN(CC1(O)CCC1)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001604723680 1018436131 /nfs/dbraw/zinc/43/61/31/1018436131.db2.gz XVWQMZKGWUXLPZ-UHFFFAOYSA-N -1 0 324.366 -0.203 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])[C@H]1CCO ZINC001604734798 1018437136 /nfs/dbraw/zinc/43/71/36/1018437136.db2.gz YLSLUWDUTPYSJT-KKOKHZNYSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)CC[S@]1=O ZINC001604760936 1018441577 /nfs/dbraw/zinc/44/15/77/1018441577.db2.gz PBZLAWVOFRROLX-QOLSBQFWSA-N -1 0 322.364 -0.096 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC[S@]1=O ZINC001604760472 1018441748 /nfs/dbraw/zinc/44/17/48/1018441748.db2.gz MCLJFASGIDJIBM-ZDVLTJLQSA-N -1 0 321.380 -0.361 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CCO1 ZINC001604768522 1018442341 /nfs/dbraw/zinc/44/23/41/1018442341.db2.gz OXIHBWVDCFSGAO-QWRGUYRKSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCC(=O)NCCC(=O)[O-])C[C@@H]1C ZINC001604766774 1018442686 /nfs/dbraw/zinc/44/26/86/1018442686.db2.gz BEAMTCSHMKPZAS-UWVGGRQHSA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001604771807 1018444489 /nfs/dbraw/zinc/44/44/89/1018444489.db2.gz SMOUBDGPRFPBAN-IONNQARKSA-N -1 0 307.310 -0.691 20 0 DBADRM COc1ccc(C=O)cc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001604774368 1018447037 /nfs/dbraw/zinc/44/70/37/1018447037.db2.gz HNNFXZSDISKUJB-UHFFFAOYSA-N -1 0 320.301 -0.123 20 0 DBADRM C[C@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)C[C@H](C)S1(=O)=O ZINC001604774677 1018447454 /nfs/dbraw/zinc/44/74/54/1018447454.db2.gz AHOZJEGKLDAYQN-IUCAKERBSA-N -1 0 315.351 -0.385 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CCS(=O)(=O)C1 ZINC001604775223 1018447475 /nfs/dbraw/zinc/44/74/75/1018447475.db2.gz GASUOLOSLZPUKD-OPRDCNLKSA-N -1 0 304.368 -0.217 20 0 DBADRM C[C@@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])[C@H](C)CO1 ZINC001604777481 1018448501 /nfs/dbraw/zinc/44/85/01/1018448501.db2.gz WUOJJPDMUNMDBL-NXEZZACHSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001604785477 1018447976 /nfs/dbraw/zinc/44/79/76/1018447976.db2.gz FQMYMXSQCGRMFZ-XNWIYYODSA-N -1 0 311.338 -0.955 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1CCNC(=O)NCCOCC(=O)[O-] ZINC001604797363 1018454379 /nfs/dbraw/zinc/45/43/79/1018454379.db2.gz VSLZYFJEYLSNSK-MNOVXSKESA-N -1 0 303.359 -0.504 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCC[S@](C)=O ZINC001604791567 1018449948 /nfs/dbraw/zinc/44/99/48/1018449948.db2.gz ZAMWWEMCXWMJDW-MQJDWESPSA-N -1 0 319.427 -0.055 20 0 DBADRM C[C@@H]1CN(CCO)CCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001604798013 1018453260 /nfs/dbraw/zinc/45/32/60/1018453260.db2.gz PHVOYAYHYJABAQ-SECBINFHSA-N -1 0 318.351 -0.335 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC(=O)N1 ZINC001604803819 1018453355 /nfs/dbraw/zinc/45/33/55/1018453355.db2.gz XDDHXGFDXDACGZ-UTLUCORTSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@H]1CN(CCO)CCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001604798379 1018453498 /nfs/dbraw/zinc/45/34/98/1018453498.db2.gz UJDMRFZNNXVDSI-GARJFASQSA-N -1 0 306.384 -0.822 20 0 DBADRM C[C@H]1CN(CCNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)[C@@H](C)CO1 ZINC001604797645 1018453585 /nfs/dbraw/zinc/45/35/85/1018453585.db2.gz YXLPQZIYRLOWJR-FIQHERPVSA-N -1 0 320.411 -0.122 20 0 DBADRM C[C@H]1CN(Cn2nc(C(=O)[O-])ccc2=O)C[C@@]2(CCOC2)O1 ZINC001604802578 1018453658 /nfs/dbraw/zinc/45/36/58/1018453658.db2.gz HNBTXDJUBJESNQ-IINYFYTJSA-N -1 0 309.322 -0.221 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC[S@](=O)C1 ZINC001604803327 1018453990 /nfs/dbraw/zinc/45/39/90/1018453990.db2.gz QRNUZHJKKULCNX-PQNZACNUSA-N -1 0 309.409 -0.120 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCN2CCO[C@H](C)C2)O[C@H]1C(=O)[O-] ZINC001604795974 1018454047 /nfs/dbraw/zinc/45/40/47/1018454047.db2.gz ITAROBAWXSQJGB-DDHJBXDOSA-N -1 0 300.355 -0.299 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN(CCO)C[C@H]2C)O[C@H]1C(=O)[O-] ZINC001604798381 1018454493 /nfs/dbraw/zinc/45/44/93/1018454493.db2.gz UNAZXHBYZAKVBA-DDHJBXDOSA-N -1 0 300.355 -0.610 20 0 DBADRM C[C@@H]1COCC[C@@H]1CNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001604820300 1018455556 /nfs/dbraw/zinc/45/55/56/1018455556.db2.gz YICHEJQMKSBESL-NXEZZACHSA-N -1 0 311.342 -0.052 20 0 DBADRM C[C@@H]1COCC[C@@H]1NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604819819 1018455589 /nfs/dbraw/zinc/45/55/89/1018455589.db2.gz TWDXHJACWBDPCV-ZJUUUORDSA-N -1 0 301.343 -0.308 20 0 DBADRM C[C@@H]1COCC[C@@H]1S(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001604820004 1018455740 /nfs/dbraw/zinc/45/57/40/1018455740.db2.gz MRMFUSIGCSBVQU-CHWFTXMASA-N -1 0 307.368 -0.349 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cnn2c1NC[C@H](C)C2)C(=O)[O-] ZINC001604816133 1018456174 /nfs/dbraw/zinc/45/61/74/1018456174.db2.gz ZHLNZNSKOFMUHW-CIUDSAMLSA-N -1 0 323.353 -0.348 20 0 DBADRM C[C@H]1CNc2c(C(=O)Nc3n[nH]c(CC(=O)[O-])n3)cnn2C1 ZINC001604815018 1018456185 /nfs/dbraw/zinc/45/61/85/1018456185.db2.gz NWGIPJWDRKKARU-LURJTMIESA-N -1 0 305.298 -0.058 20 0 DBADRM C[C@@H]1COCC[C@@H]1CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604818849 1018456599 /nfs/dbraw/zinc/45/65/99/1018456599.db2.gz LUXXRJRPVOSBFW-GHMZBOCLSA-N -1 0 315.370 -0.061 20 0 DBADRM C[C@H]1COCC[C@H]1S(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC001604820446 1018457189 /nfs/dbraw/zinc/45/71/89/1018457189.db2.gz QYINQKXORCOJSX-WDEREUQCSA-N -1 0 306.384 -0.557 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001604833631 1018458542 /nfs/dbraw/zinc/45/85/42/1018458542.db2.gz JQRBQCQJOAFQMI-PRHODGIISA-N -1 0 316.335 -0.402 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCCN1CN1C[C@@H](C(=O)[O-])CC1=O ZINC001604823089 1018459054 /nfs/dbraw/zinc/45/90/54/1018459054.db2.gz HYGNDLQQMDYMMO-ZJUUUORDSA-N -1 0 304.368 -0.614 20 0 DBADRM C[C@H]1CS(=O)(=O)CCCN1CCC(=O)N(C)CC(=O)[O-] ZINC001604822987 1018459269 /nfs/dbraw/zinc/45/92/69/1018459269.db2.gz GNGZZKZQGQEOCC-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM C[C@@H]1OCC[C@]12CN(S(=O)(=O)N(C)CCC(=O)[O-])CCO2 ZINC001604835336 1018459676 /nfs/dbraw/zinc/45/96/76/1018459676.db2.gz RTQNFWGTUSLGSQ-JQWIXIFHSA-N -1 0 322.383 -0.483 20 0 DBADRM C[C@H]1CS(=O)(=O)CCCN1CN1C[C@@H](C(=O)[O-])CC1=O ZINC001604823087 1018459703 /nfs/dbraw/zinc/45/97/03/1018459703.db2.gz HYGNDLQQMDYMMO-UWVGGRQHSA-N -1 0 304.368 -0.614 20 0 DBADRM C[C@@H]1OCC[C@]1(C)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604836938 1018460693 /nfs/dbraw/zinc/46/06/93/1018460693.db2.gz YMIZTBIDLGIQQL-ZANVPECISA-N -1 0 301.343 -0.166 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001604844348 1018460853 /nfs/dbraw/zinc/46/08/53/1018460853.db2.gz FLFSTUFGDDZXRB-IVIAJXKQSA-N -1 0 306.322 -0.193 20 0 DBADRM C[C@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)c1c[nH]cn1 ZINC001604842105 1018462144 /nfs/dbraw/zinc/46/21/44/1018462144.db2.gz OBQCWYSRFGKOHD-APPZFPTMSA-N -1 0 312.351 -0.096 20 0 DBADRM C[C@H]1OCCN(C(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)[C@@H]1C ZINC001604838180 1018462221 /nfs/dbraw/zinc/46/22/21/1018462221.db2.gz RCSDMNVZMQROJE-ZDCRXTMVSA-N -1 0 314.338 -0.677 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1O ZINC001604845578 1018463046 /nfs/dbraw/zinc/46/30/46/1018463046.db2.gz WNNQLBIRPJLSPU-LTNPCIDKSA-N -1 0 306.322 -0.193 20 0 DBADRM CCC(=O)NCC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001604858889 1018468381 /nfs/dbraw/zinc/46/83/81/1018468381.db2.gz FUMLRCHEFZDNFC-JTQLQIEISA-N -1 0 321.337 -0.604 20 0 DBADRM CCC(=O)N1CCN(S(=O)(=O)c2cccnc2C(=O)[O-])C1 ZINC001604856969 1018468697 /nfs/dbraw/zinc/46/86/97/1018468697.db2.gz CIUHVLSXSOIUCV-UHFFFAOYSA-N -1 0 313.335 -0.020 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC001604860876 1018468785 /nfs/dbraw/zinc/46/87/85/1018468785.db2.gz YJVMNWIBGUKAQP-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM CNC(=O)[C@@H](O)CNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001604874046 1018470866 /nfs/dbraw/zinc/47/08/66/1018470866.db2.gz QWNYKTVBLJVHNN-VKHMYHEASA-N -1 0 303.735 -0.505 20 0 DBADRM CC[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-])N(C)C ZINC001604868368 1018471290 /nfs/dbraw/zinc/47/12/90/1018471290.db2.gz HWDYUPUJZAJQSX-UWVGGRQHSA-N -1 0 306.384 -0.573 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N(C)Cc1nnc2n1CCN(C)C2=O ZINC001604868858 1018472250 /nfs/dbraw/zinc/47/22/50/1018472250.db2.gz NJTGMZALKNESJA-QMMMGPOBSA-N -1 0 309.326 -0.567 20 0 DBADRM O=C(CCc1ccoc1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500812940 1018473022 /nfs/dbraw/zinc/47/30/22/1018473022.db2.gz SQWBLLWZMCIJEN-UHFFFAOYSA-N -1 0 321.337 -0.601 20 0 DBADRM COc1ccccc1[C@H](CO)NCCS(=O)(=O)CC(=O)[O-] ZINC001604883433 1018479081 /nfs/dbraw/zinc/47/90/81/1018479081.db2.gz KELAMPJGFNKJIW-NSHDSACASA-N -1 0 317.363 -0.182 20 0 DBADRM CC[C@](C)(CO)NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001604905292 1018481452 /nfs/dbraw/zinc/48/14/52/1018481452.db2.gz BAVCEKXLTWDVRT-CYBMUJFWSA-N -1 0 312.326 -0.508 20 0 DBADRM CNc1ncc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)s1 ZINC001604900604 1018481786 /nfs/dbraw/zinc/48/17/86/1018481786.db2.gz SPZGQWUKZOSNDJ-UHFFFAOYSA-N -1 0 320.342 -0.614 20 0 DBADRM COc1ncccc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001604912099 1018484316 /nfs/dbraw/zinc/48/43/16/1018484316.db2.gz PJWIWWPIAKXNGZ-MRVPVSSYSA-N -1 0 302.308 -0.436 20 0 DBADRM CS(=O)(=O)C1CCC(C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC001604914214 1018484441 /nfs/dbraw/zinc/48/44/41/1018484441.db2.gz OXKMARUWRFDPSY-ILDUYXDCSA-N -1 0 319.379 -0.098 20 0 DBADRM CC[C@](C)(NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001604911010 1018485302 /nfs/dbraw/zinc/48/53/02/1018485302.db2.gz FRNQCQGUSSBGBX-MADCSZMMSA-N -1 0 311.298 -0.630 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001604920144 1018485934 /nfs/dbraw/zinc/48/59/34/1018485934.db2.gz KQWGGAUMBYJSDS-KYZUINATSA-N -1 0 304.368 -0.026 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001604920143 1018486101 /nfs/dbraw/zinc/48/61/01/1018486101.db2.gz KQWGGAUMBYJSDS-DTORHVGOSA-N -1 0 304.368 -0.026 20 0 DBADRM CS(=O)(=O)CC1(C(=O)N2CCC[C@H](C(=O)[O-])C2)COC1 ZINC001604919871 1018486786 /nfs/dbraw/zinc/48/67/86/1018486786.db2.gz BDYFLEYBYGWEOB-VIFPVBQESA-N -1 0 305.352 -0.629 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001604919848 1018487517 /nfs/dbraw/zinc/48/75/17/1018487517.db2.gz AHXUXZRADOAXRF-WDEREUQCSA-N -1 0 318.395 -0.572 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001604927816 1018488878 /nfs/dbraw/zinc/48/88/78/1018488878.db2.gz VQPKBYNKVPNSSM-BXKDBHETSA-N -1 0 320.367 -0.840 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC001604921156 1018490333 /nfs/dbraw/zinc/49/03/33/1018490333.db2.gz LAMBJVGJACXNRU-UHFFFAOYSA-N -1 0 302.352 -0.585 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN2CCOC[C@@H]2C1)C(=O)[O-] ZINC001604932139 1018491635 /nfs/dbraw/zinc/49/16/35/1018491635.db2.gz MMZIVETYTWEHTF-OBJOEFQTSA-N -1 0 313.398 -0.382 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)Cn1cc(S(C)(=O)=O)cn1)C(=O)[O-] ZINC001604937312 1018491785 /nfs/dbraw/zinc/49/17/85/1018491785.db2.gz RKSGIAYTGDRHFO-KCJUWKMLSA-N -1 0 317.367 -0.098 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)o1 ZINC001604936857 1018492179 /nfs/dbraw/zinc/49/21/79/1018492179.db2.gz XXDCWAJIGDREBB-NSHDSACASA-N -1 0 303.292 -0.343 20 0 DBADRM CS(=O)(=O)NCCCOC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001604932204 1018493089 /nfs/dbraw/zinc/49/30/89/1018493089.db2.gz PSVOHVCDIMYICA-UHFFFAOYSA-N -1 0 323.367 -0.260 20 0 DBADRM COC(=O)N1CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001604950317 1018495133 /nfs/dbraw/zinc/49/51/33/1018495133.db2.gz JNJBTYBEGLXWEP-MRVPVSSYSA-N -1 0 304.314 -0.279 20 0 DBADRM C[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001604944549 1018495828 /nfs/dbraw/zinc/49/58/28/1018495828.db2.gz YKMHTKRHGLJBPN-FQJNGZCASA-N -1 0 314.367 -0.218 20 0 DBADRM C[S@@](=O)CCCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001604944522 1018496260 /nfs/dbraw/zinc/49/62/60/1018496260.db2.gz XUDDJDSPCOKALT-HXUWFJFHSA-N -1 0 300.336 -0.569 20 0 DBADRM C[S@@](=O)C1(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1 ZINC001604944452 1018496270 /nfs/dbraw/zinc/49/62/70/1018496270.db2.gz WGTXBARDENEGAJ-HMVNSEHLSA-N -1 0 316.379 -0.360 20 0 DBADRM C[S@](=O)C1(CNC(=O)c2cccn(CC(=O)[O-])c2=O)CC1 ZINC001604942915 1018496628 /nfs/dbraw/zinc/49/66/28/1018496628.db2.gz DQMAKZJGIZRYLP-NRFANRHFSA-N -1 0 312.347 -0.426 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001604948048 1018496793 /nfs/dbraw/zinc/49/67/93/1018496793.db2.gz BMPPQYPRYGTUOS-QMMMGPOBSA-N -1 0 305.356 -0.253 20 0 DBADRM COC(=O)[C@@H](C)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001604954047 1018496894 /nfs/dbraw/zinc/49/68/94/1018496894.db2.gz WXLOAPJFHBXAQG-ZCFIWIBFSA-N -1 0 306.282 -0.433 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001604963685 1018500212 /nfs/dbraw/zinc/50/02/12/1018500212.db2.gz VLLFYAINNJDAGG-MNOVXSKESA-N -1 0 308.400 -0.168 20 0 DBADRM C[C@@H](CO)N(C)C(=O)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001604979166 1018501162 /nfs/dbraw/zinc/50/11/62/1018501162.db2.gz QOMKCXCETXYBBO-MEDUHNTESA-N -1 0 322.361 -0.016 20 0 DBADRM COC(=O)c1cccnc1Cn1cnc(-c2nnn[n-]2)cc1=O ZINC001604986712 1018501324 /nfs/dbraw/zinc/50/13/24/1018501324.db2.gz APKHLXAPEADIQB-UHFFFAOYSA-N -1 0 313.277 -0.347 20 0 DBADRM CO[C@H](C)C(=O)N[C@H](C)CCNc1cnc(-c2nn[nH]n2)cn1 ZINC001604999205 1018502575 /nfs/dbraw/zinc/50/25/75/1018502575.db2.gz AUIZCZIJRUZYSG-RKDXNWHRSA-N -1 0 320.357 -0.002 20 0 DBADRM COC(C)(C)CCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604995499 1018503038 /nfs/dbraw/zinc/50/30/38/1018503038.db2.gz JRRIRYZKCQKPQN-MRVPVSSYSA-N -1 0 308.346 -0.050 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)CN1CC(=O)NC1=O ZINC001604986153 1018503484 /nfs/dbraw/zinc/50/34/84/1018503484.db2.gz GBMDEEZYZZODIT-UHFFFAOYSA-N -1 0 314.294 -0.459 20 0 DBADRM C[C@@H](CO)N(C)C(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001604979252 1018503692 /nfs/dbraw/zinc/50/36/92/1018503692.db2.gz VIFGLWVYZBDXQR-WDEREUQCSA-N -1 0 300.355 -0.071 20 0 DBADRM COC(=O)c1ccc(N2CC[C@H](C(=O)[O-])C2)c(-c2nn[nH]n2)n1 ZINC001604973968 1018503703 /nfs/dbraw/zinc/50/37/03/1018503703.db2.gz XWSGXVKOLUMURJ-ZETCQYMHSA-N -1 0 318.293 -0.041 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC(O)(COCCO)CC1 ZINC001605018852 1018508963 /nfs/dbraw/zinc/50/89/63/1018508963.db2.gz TUHLUYWQQODOCS-YGRLFVJLSA-N -1 0 301.339 -0.540 20 0 DBADRM COC1(OC)CC(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001605019999 1018509649 /nfs/dbraw/zinc/50/96/49/1018509649.db2.gz CYPHFGGOSINUCQ-ZETCQYMHSA-N -1 0 322.329 -0.713 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 ZINC001605021084 1018509808 /nfs/dbraw/zinc/50/98/08/1018509808.db2.gz NWRMAYRGTOBKIY-PTRXPTGYSA-N -1 0 305.352 -0.631 20 0 DBADRM CC[C@H](CNC(=O)C(=O)Nc1cc(C)cn(C)c1=O)C(=O)[O-] ZINC001605022916 1018510526 /nfs/dbraw/zinc/51/05/26/1018510526.db2.gz DTNPQFSWTCEUEM-SECBINFHSA-N -1 0 309.322 -0.141 20 0 DBADRM CO[C@@H](Cn1cnc2ncc(-c3nnn[n-]3)c(=O)n21)C1CCC1 ZINC001605012691 1018510570 /nfs/dbraw/zinc/51/05/70/1018510570.db2.gz QSNRNHDLUDSTRE-JTQLQIEISA-N -1 0 316.325 -0.114 20 0 DBADRM COC1(OC)CC(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001605019995 1018510837 /nfs/dbraw/zinc/51/08/37/1018510837.db2.gz CYPHFGGOSINUCQ-SSDOTTSWSA-N -1 0 322.329 -0.713 20 0 DBADRM CC[C@@H](CO)C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001605043492 1018515711 /nfs/dbraw/zinc/51/57/11/1018515711.db2.gz VDJKHLUZKIDSSM-VIFPVBQESA-N -1 0 307.368 -0.457 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1)C(=O)[O-] ZINC001605041128 1018515939 /nfs/dbraw/zinc/51/59/39/1018515939.db2.gz RUZSPTQGSYRSKY-CPCISQLKSA-N -1 0 321.289 -0.561 20 0 DBADRM C[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)C(=O)OC1CCCC1 ZINC001605048718 1018518388 /nfs/dbraw/zinc/51/83/88/1018518388.db2.gz XLTMEYZOLALOIO-QMMMGPOBSA-N -1 0 310.310 -0.033 20 0 DBADRM CC[C@](COC)(NC(=O)[C@H]1CN(C(C)=O)CCO1)C(=O)[O-] ZINC001605046841 1018518614 /nfs/dbraw/zinc/51/86/14/1018518614.db2.gz GPGIHBBNSUAHSV-ZWNOBZJWSA-N -1 0 302.327 -0.770 20 0 DBADRM CC[C@@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])C1CCOCC1 ZINC001605069605 1018520066 /nfs/dbraw/zinc/52/00/66/1018520066.db2.gz FJJYHCIBNCJGKY-VHSXEESVSA-N -1 0 304.318 -0.153 20 0 DBADRM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)C(=O)[O-] ZINC001605081455 1018522990 /nfs/dbraw/zinc/52/29/90/1018522990.db2.gz HZBVJWSTSXTQPC-LURJTMIESA-N -1 0 304.299 -0.016 20 0 DBADRM COCCCN(C)c1nnc(-c2c[nH]nc2-c2nnn[n-]2)n1C ZINC001605087637 1018524913 /nfs/dbraw/zinc/52/49/13/1018524913.db2.gz PLGHJSLYHWBNHT-UHFFFAOYSA-N -1 0 318.345 -0.142 20 0 DBADRM COCCC(C)(C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001605079631 1018525269 /nfs/dbraw/zinc/52/52/69/1018525269.db2.gz XDJDMKVUNMLYGB-UHFFFAOYSA-N -1 0 323.361 -0.428 20 0 DBADRM Cc1c(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)nnn1C ZINC001605076543 1018526100 /nfs/dbraw/zinc/52/61/00/1018526100.db2.gz GJKKFKHQKOXSMV-VIFPVBQESA-N -1 0 309.326 -0.681 20 0 DBADRM CCC(O)(CC)CN(C)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605107494 1018527896 /nfs/dbraw/zinc/52/78/96/1018527896.db2.gz APJPFYKNABZCNR-AOOOYVTPSA-N -1 0 300.355 -0.025 20 0 DBADRM Cc1cc(C(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(C)[nH]1 ZINC001605102397 1018530098 /nfs/dbraw/zinc/53/00/98/1018530098.db2.gz ZLNFVLQGOJDXQO-LLVKDONJSA-N -1 0 314.363 -0.002 20 0 DBADRM COCCOCCOCCn1ccc(-c2nnn[n-]2)cc1=O ZINC001605112390 1018530893 /nfs/dbraw/zinc/53/08/93/1018530893.db2.gz WSNDRBWOJYVTEH-UHFFFAOYSA-N -1 0 309.326 -0.292 20 0 DBADRM Cc1cc(C(=O)OCC(=O)C(=O)[O-])ccc1S(N)(=O)=O ZINC001605141012 1018534433 /nfs/dbraw/zinc/53/44/33/1018534433.db2.gz PLERBVISMWMLFS-UHFFFAOYSA-N -1 0 301.276 -0.547 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)Nc2nn(C)cc2C(=O)[O-])C1=O ZINC001605136363 1018536411 /nfs/dbraw/zinc/53/64/11/1018536411.db2.gz YQFQEEMTEBFNGB-CYBMUJFWSA-N -1 0 323.309 -0.223 20 0 DBADRM CC[C@@]1(C)NC(=O)N(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1=O ZINC001605135383 1018536847 /nfs/dbraw/zinc/53/68/47/1018536847.db2.gz MZSAJGRTINGGOB-QBNOLPMJSA-N -1 0 313.310 -0.384 20 0 DBADRM CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CCC1 ZINC001605130321 1018537468 /nfs/dbraw/zinc/53/74/68/1018537468.db2.gz KJDVIUJMOWZUTH-MNOVXSKESA-N -1 0 324.377 -0.023 20 0 DBADRM CC[C@H]1C(=O)NCCN1Cn1nc(C(=O)OC)cc1C(=O)[O-] ZINC001605150058 1018539175 /nfs/dbraw/zinc/53/91/75/1018539175.db2.gz IWTRTVGKIDNXOP-VIFPVBQESA-N -1 0 310.310 -0.464 20 0 DBADRM CO[C@H]1C[C@@H](CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001605154063 1018539260 /nfs/dbraw/zinc/53/92/60/1018539260.db2.gz QFLRUURLSIPAKD-HLTSFMKQSA-N -1 0 306.330 -0.440 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1c(C)cc(-c2nn[nH]n2)cc1C ZINC001605144139 1018539731 /nfs/dbraw/zinc/53/97/31/1018539731.db2.gz RAVPBABLTGBUFP-UHFFFAOYSA-N -1 0 304.310 -0.109 20 0 DBADRM Cc1cc(Cl)cnc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001605173773 1018541522 /nfs/dbraw/zinc/54/15/22/1018541522.db2.gz RSCNESCJTQQVCT-GFCCVEGCSA-N -1 0 315.713 -0.066 20 0 DBADRM CCCC(=O)N1CCC[C@H](C(=O)NC[C@H](O)CC(=O)[O-])C1 ZINC001605188190 1018541931 /nfs/dbraw/zinc/54/19/31/1018541931.db2.gz LNLLSNQSEVIFRF-WDEREUQCSA-N -1 0 300.355 -0.023 20 0 DBADRM CC[C@H]1COCCN1CCNC(=O)c1cc(C(=O)[O-])nn1C ZINC001605180965 1018542282 /nfs/dbraw/zinc/54/22/82/1018542282.db2.gz UBQAHKVFBNZFNO-JTQLQIEISA-N -1 0 310.354 -0.041 20 0 DBADRM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001605183683 1018542344 /nfs/dbraw/zinc/54/23/44/1018542344.db2.gz ZHCSOGNMAZLRCS-YXCTTXFESA-N -1 0 316.379 -0.194 20 0 DBADRM Cc1cc(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n(C)n1 ZINC001605173282 1018542380 /nfs/dbraw/zinc/54/23/80/1018542380.db2.gz XDVCHNSSQGNQAO-HZMBPMFUSA-N -1 0 308.338 -0.029 20 0 DBADRM CC(C)CC(=O)N(C)CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001500995650 1018543979 /nfs/dbraw/zinc/54/39/79/1018543979.db2.gz HSUKIFFEXOTIRI-UHFFFAOYSA-N -1 0 313.358 -0.348 20 0 DBADRM CC[C@H]1COCCN1C(=O)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC001605180083 1018544207 /nfs/dbraw/zinc/54/42/07/1018544207.db2.gz FIMUJHMBULVMSW-BQVMBELUSA-N -1 0 310.350 -0.007 20 0 DBADRM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001605183675 1018544222 /nfs/dbraw/zinc/54/42/22/1018544222.db2.gz ZHCSOGNMAZLRCS-GNKRQNHBSA-N -1 0 316.379 -0.194 20 0 DBADRM CCC[C@H](C(=O)N1CCSC[C@H](C(=O)[O-])C1)S(N)(=O)=O ZINC001605192106 1018544892 /nfs/dbraw/zinc/54/48/92/1018544892.db2.gz IYCCHJKWRMURSP-RKDXNWHRSA-N -1 0 324.424 -0.280 20 0 DBADRM CCCN(CC(N)=O)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001605310625 1018556870 /nfs/dbraw/zinc/55/68/70/1018556870.db2.gz NZARNPXXRPPSOF-UHFFFAOYSA-N -1 0 307.353 -0.273 20 0 DBADRM CCCC(=O)N1CSC[C@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001605191080 1018546445 /nfs/dbraw/zinc/54/64/45/1018546445.db2.gz SVNXWTIRHCUIMI-WEDXCCLWSA-N -1 0 304.368 -0.362 20 0 DBADRM CCC[C@@]1(CO)CCCN1C(=O)C(=O)NC[C@@H]1C[C@@H]1C(=O)[O-] ZINC001605224525 1018548970 /nfs/dbraw/zinc/54/89/70/1018548970.db2.gz LDHCGJVQOWYHLS-PGUXBMHVSA-N -1 0 312.366 -0.023 20 0 DBADRM CCCCCN(CCO)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001605268733 1018550964 /nfs/dbraw/zinc/55/09/64/1018550964.db2.gz DCDAAXZKNFPAIS-LLVKDONJSA-N -1 0 300.355 -0.069 20 0 DBADRM Cc1cc2n[nH]cc2cc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001605223472 1018551078 /nfs/dbraw/zinc/55/10/78/1018551078.db2.gz CPUSYJKYLLYEJL-AWEZNQCLSA-N -1 0 320.305 -0.238 20 0 DBADRM CCCC[C@@H](CC)CNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001605237358 1018551743 /nfs/dbraw/zinc/55/17/43/1018551743.db2.gz BBMLCBPMHXBFAC-SNVBAGLBSA-N -1 0 300.355 -0.023 20 0 DBADRM CCC[C@H](O)[C@@H](CO)NC(=O)Nc1cc(C(=O)[O-])nn1C ZINC001605218246 1018551931 /nfs/dbraw/zinc/55/19/31/1018551931.db2.gz VUCOAUOLBSMQDB-BDAKNGLRSA-N -1 0 300.315 -0.238 20 0 DBADRM CCCN(C)S(=O)(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001605305302 1018553290 /nfs/dbraw/zinc/55/32/90/1018553290.db2.gz LHJCKJQEHHWOHY-BDAKNGLRSA-N -1 0 308.356 -0.621 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001605287184 1018555585 /nfs/dbraw/zinc/55/55/85/1018555585.db2.gz CPLDEUFQDISRPM-SECBINFHSA-N -1 0 318.355 -0.938 20 0 DBADRM CCCCn1nnnc1CN1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001605295836 1018555896 /nfs/dbraw/zinc/55/58/96/1018555896.db2.gz HAIKAZCHOQQMSK-ZJUUUORDSA-N -1 0 311.342 -0.221 20 0 DBADRM CCCOCC(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O ZINC001605336671 1018556490 /nfs/dbraw/zinc/55/64/90/1018556490.db2.gz GCOZZACXOLXBLN-MNOVXSKESA-N -1 0 324.337 -0.733 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001605345804 1018557168 /nfs/dbraw/zinc/55/71/68/1018557168.db2.gz TYKSPHLXYORYDM-MRVPVSSYSA-N -1 0 309.340 -0.856 20 0 DBADRM Cc1ccc2nnc(CNC(=O)[C@@H]3CC(C(=O)[O-])=NO3)n2c1 ZINC001605315179 1018559060 /nfs/dbraw/zinc/55/90/60/1018559060.db2.gz XTEQXCFRZLMBGB-VIFPVBQESA-N -1 0 303.278 -0.117 20 0 DBADRM C[S@@](=N)(=O)N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001605353093 1018561626 /nfs/dbraw/zinc/56/16/26/1018561626.db2.gz ZPYLUVZJXNUDDS-NRFANRHFSA-N -1 0 309.359 -0.630 20 0 DBADRM CS(=O)(=O)C1(C(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001605351979 1018562122 /nfs/dbraw/zinc/56/21/22/1018562122.db2.gz IVCKMEKZOISVFW-UHFFFAOYSA-N -1 0 323.334 -0.146 20 0 DBADRM Cc1ccn2cc(CNC(=O)C(=O)NCCC(=O)[O-])nc2c1 ZINC001605360317 1018566759 /nfs/dbraw/zinc/56/67/59/1018566759.db2.gz WQQPDUKEBAARED-UHFFFAOYSA-N -1 0 304.306 -0.150 20 0 DBADRM Cc1cncc(CCNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001605376045 1018567514 /nfs/dbraw/zinc/56/75/14/1018567514.db2.gz RLLOJOUWGJKXTR-LBPRGKRZSA-N -1 0 320.349 -0.233 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)Cc2cc[nH]n2)c1[O-] ZINC001501089464 1018570189 /nfs/dbraw/zinc/57/01/89/1018570189.db2.gz YQDDMBPSDCXCKB-UHFFFAOYSA-N -1 0 320.353 -0.080 20 0 DBADRM Cc1nc(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001605398215 1018570370 /nfs/dbraw/zinc/57/03/70/1018570370.db2.gz FMCHHAZEMXJRII-IONNQARKSA-N -1 0 319.325 -0.123 20 0 DBADRM CCCn1ncnc1CN1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605390810 1018570511 /nfs/dbraw/zinc/57/05/11/1018570511.db2.gz MGFSNAKUOXVOEC-NEPJUHHUSA-N -1 0 321.381 -0.043 20 0 DBADRM CCCn1cc(CNC(=O)Cn2cccc(C(=O)[O-])c2=O)nn1 ZINC001605389757 1018572220 /nfs/dbraw/zinc/57/22/20/1018572220.db2.gz LXHGFDCVEURRRY-UHFFFAOYSA-N -1 0 319.321 -0.136 20 0 DBADRM CCN([C@@H]1CCNC1=O)S(=O)(=O)c1scnc1C(=O)[O-] ZINC001605411430 1018573769 /nfs/dbraw/zinc/57/37/69/1018573769.db2.gz KCTGZCPXQDNMSM-ZCFIWIBFSA-N -1 0 319.364 -0.260 20 0 DBADRM CCN(CC(=O)OC)C(=O)[C@@H]1C[C@@H]1C(=O)N(CC)CC(=O)[O-] ZINC001605414952 1018574620 /nfs/dbraw/zinc/57/46/20/1018574620.db2.gz HRTBRNRUYCIMGN-VHSXEESVSA-N -1 0 314.338 -0.423 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001605423170 1018578757 /nfs/dbraw/zinc/57/87/57/1018578757.db2.gz PQDHMTHBEGOBNO-LBPRGKRZSA-N -1 0 315.370 -0.278 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)CC2 ZINC001605419965 1018579492 /nfs/dbraw/zinc/57/94/92/1018579492.db2.gz GDWPJVLHVVXFBW-QMMMGPOBSA-N -1 0 304.310 -0.237 20 0 DBADRM Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])C2 ZINC001605420365 1018579510 /nfs/dbraw/zinc/57/95/10/1018579510.db2.gz HIPUNCYCVINEQI-NSHDSACASA-N -1 0 320.349 -0.308 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N(OC)[C@H](C)CC(=O)[O-] ZINC001605432621 1018581317 /nfs/dbraw/zinc/58/13/17/1018581317.db2.gz UFWAGFLQNIMPEW-SECBINFHSA-N -1 0 310.372 -0.089 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)CC1CC1 ZINC001605435763 1018582325 /nfs/dbraw/zinc/58/23/25/1018582325.db2.gz DCHSFXQDWKXDFL-MRVPVSSYSA-N -1 0 302.342 -0.205 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001605432429 1018582929 /nfs/dbraw/zinc/58/29/29/1018582929.db2.gz GWNIPYWYJRBQLC-LBPRGKRZSA-N -1 0 322.383 -0.735 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001605433304 1018583800 /nfs/dbraw/zinc/58/38/00/1018583800.db2.gz DRELISXLNRATSU-UHFFFAOYSA-N -1 0 320.309 -0.105 20 0 DBADRM Cc1nn(CCS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c(=O)o1 ZINC001605441281 1018586107 /nfs/dbraw/zinc/58/61/07/1018586107.db2.gz ZSEMKAGNQXSELU-VIFPVBQESA-N -1 0 319.339 -0.729 20 0 DBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])c1C ZINC001605444264 1018586954 /nfs/dbraw/zinc/58/69/54/1018586954.db2.gz CMZZCWZPXOKENE-SSDOTTSWSA-N -1 0 324.337 -0.406 20 0 DBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)NCC(N)=O ZINC001605457453 1018589438 /nfs/dbraw/zinc/58/94/38/1018589438.db2.gz OPAOCRULDUZXCT-UHFFFAOYSA-N -1 0 319.325 -0.882 20 0 DBADRM Cc1noc(CNC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC001605450003 1018589840 /nfs/dbraw/zinc/58/98/40/1018589840.db2.gz XAEQXZQCVQJUFR-CBAPKCEASA-N -1 0 310.310 -0.437 20 0 DBADRM CCN(CCSC)C(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001605452682 1018589899 /nfs/dbraw/zinc/58/98/99/1018589899.db2.gz CGQLPCIUEYRNGV-ZJUUUORDSA-N -1 0 318.395 -0.102 20 0 DBADRM Cn1c(N2CC[C@@](C)(C(=O)[O-])C2)nnc1[C@@]1(C)CNC(=O)C1 ZINC001605466816 1018592063 /nfs/dbraw/zinc/59/20/63/1018592063.db2.gz YDDQVPXIKLXARX-ZIAGYGMSSA-N -1 0 307.354 -0.106 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)C(=O)N3CCC[C@H]3C(=O)[O-])ccnc1-2 ZINC001605466924 1018592315 /nfs/dbraw/zinc/59/23/15/1018592315.db2.gz GAJZLRSCLANIMR-JTQLQIEISA-N -1 0 317.305 -0.644 20 0 DBADRM Cn1c(CN2CCC(CO)CC2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001605466305 1018592549 /nfs/dbraw/zinc/59/25/49/1018592549.db2.gz HYKPSKNSMUGYLX-GFCCVEGCSA-N -1 0 323.397 -0.070 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC(=O)OC(C)(C)C)c(=O)n1C ZINC001605463493 1018592918 /nfs/dbraw/zinc/59/29/18/1018592918.db2.gz YKTWAUXKLUFLAL-UHFFFAOYSA-N -1 0 322.325 -0.623 20 0 DBADRM Cn1c(CC2CC(O)C2)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001605467741 1018593768 /nfs/dbraw/zinc/59/37/68/1018593768.db2.gz IUFAVUJKUFGFTA-XSJLVCEYSA-N -1 0 322.365 -0.334 20 0 DBADRM Cn1c(=O)cc(N[C@@H]2CCCCN(CC(=O)[O-])C2=O)[nH]c1=O ZINC001605467440 1018594065 /nfs/dbraw/zinc/59/40/65/1018594065.db2.gz NKEGPSZDMYGIQK-MRVPVSSYSA-N -1 0 310.310 -0.637 20 0 DBADRM CCN1C(=O)N[C@@H](c2cn(CC(=O)OC)nn2)C(C(=O)[O-])=C1C ZINC001605466657 1018594109 /nfs/dbraw/zinc/59/41/09/1018594109.db2.gz YJJFGWSNTGOOMN-NSHDSACASA-N -1 0 323.309 -0.104 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(Cc2ccc(F)cn2)c(=O)n1C ZINC001605465485 1018594293 /nfs/dbraw/zinc/59/42/93/1018594293.db2.gz SBEBXBXTKGGGOW-UHFFFAOYSA-N -1 0 317.284 -0.382 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CCC(C)(C)C)c(=O)n1CCO ZINC001605463384 1018595030 /nfs/dbraw/zinc/59/50/30/1018595030.db2.gz UPHSRPMCOAAQJP-UHFFFAOYSA-N -1 0 322.369 -0.073 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CN(C)C(=O)C(C)C)c(=O)n1C ZINC001605465608 1018595182 /nfs/dbraw/zinc/59/51/82/1018595182.db2.gz UDQNKPIGVKVGSZ-UHFFFAOYSA-N -1 0 321.341 -0.893 20 0 DBADRM CCN1CCN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CC1 ZINC001605479271 1018596136 /nfs/dbraw/zinc/59/61/36/1018596136.db2.gz ZYNITIJHQAOKDX-GFCCVEGCSA-N -1 0 311.382 -0.232 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC001605479930 1018596779 /nfs/dbraw/zinc/59/67/79/1018596779.db2.gz LFYVZMKGOXLIRA-UHFFFAOYSA-N -1 0 320.349 -0.326 20 0 DBADRM Cn1c(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)nnc1C1CC1 ZINC001605473522 1018598114 /nfs/dbraw/zinc/59/81/14/1018598114.db2.gz WBPIJXMAWYRKBP-VIFPVBQESA-N -1 0 321.337 -0.046 20 0 DBADRM CCN1CCO[C@H](C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)C1 ZINC001605483099 1018600873 /nfs/dbraw/zinc/60/08/73/1018600873.db2.gz ZWCLDVWBXWAEQM-WOPDTQHZSA-N -1 0 300.355 -0.439 20 0 DBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(c3nnc(CO)n3C)C2)cn1 ZINC001605488290 1018601278 /nfs/dbraw/zinc/60/12/78/1018601278.db2.gz GISBSRYKRIXWSK-UWVGGRQHSA-N -1 0 320.353 -0.264 20 0 DBADRM CCN1CCN(c2nnnn2[C@@H]2CC=C(C(=O)[O-])C2)CC1=O ZINC001605483047 1018601522 /nfs/dbraw/zinc/60/15/22/1018601522.db2.gz WZDVXUUDYWKSLD-SNVBAGLBSA-N -1 0 306.326 -0.313 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001605488048 1018601556 /nfs/dbraw/zinc/60/15/56/1018601556.db2.gz CHENLDOSSXLFEH-BDAKNGLRSA-N -1 0 306.326 -0.066 20 0 DBADRM CCNC(=O)CCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001605490321 1018603864 /nfs/dbraw/zinc/60/38/64/1018603864.db2.gz SWSYBGBPXCCCEC-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM Cn1cc(CNC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)nn1 ZINC001605497033 1018604878 /nfs/dbraw/zinc/60/48/78/1018604878.db2.gz UOIMIOFWUABFSK-UHFFFAOYSA-N -1 0 317.305 -0.554 20 0 DBADRM CCNC(=O)NC1(C(=O)NCC[C@H](O)C(=O)[O-])CCCC1 ZINC001605495513 1018605326 /nfs/dbraw/zinc/60/53/26/1018605326.db2.gz ZATVSCVTZXZDQR-VIFPVBQESA-N -1 0 301.343 -0.430 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)[C@H]3COC(=O)N3)C2)cn1 ZINC001605491302 1018605584 /nfs/dbraw/zinc/60/55/84/1018605584.db2.gz POYQFXXICAGWMA-FXPVBKGRSA-N -1 0 322.321 -0.455 20 0 DBADRM CCNC(=O)CCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001605490324 1018605657 /nfs/dbraw/zinc/60/56/57/1018605657.db2.gz SWSYBGBPXCCCEC-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N1CCOC[C@H]1C(=O)[O-])C(C)=O ZINC001605508386 1018606458 /nfs/dbraw/zinc/60/64/58/1018606458.db2.gz MIZFURBRJITPHD-UWVGGRQHSA-N -1 0 301.295 -0.543 20 0 DBADRM CCOC(=O)[C@H](C)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001605507848 1018606580 /nfs/dbraw/zinc/60/65/80/1018606580.db2.gz IJDXPUJIXYTLJJ-SMDDNHRTSA-N -1 0 300.355 -0.201 20 0 DBADRM CCOC(=O)[C@H](CC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001605508976 1018606710 /nfs/dbraw/zinc/60/67/10/1018606710.db2.gz OANDFRZDZAICAB-XHNCKOQMSA-N -1 0 302.327 -0.330 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NC1(CCO)CC1 ZINC001605506554 1018607204 /nfs/dbraw/zinc/60/72/04/1018607204.db2.gz DPKAQUUJHWVOIO-UHFFFAOYSA-N -1 0 304.310 -0.079 20 0 DBADRM CCOC(=O)[C@H](CCOC)NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001605508484 1018607461 /nfs/dbraw/zinc/60/74/61/1018607461.db2.gz KCOMWMJVBYRONN-QMMMGPOBSA-N -1 0 311.294 -0.127 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NC[C@H]1CNC(=O)C1 ZINC001605509144 1018607551 /nfs/dbraw/zinc/60/75/51/1018607551.db2.gz ACDJBXJKXXPJEJ-SSDOTTSWSA-N -1 0 317.309 -0.858 20 0 DBADRM Cn1cc([C@@H]2C[C@H]2C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cn1 ZINC001605501269 1018607653 /nfs/dbraw/zinc/60/76/53/1018607653.db2.gz KHHSHWZUZIVSKY-WDEREUQCSA-N -1 0 306.322 -0.721 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N1CCOC[C@H]1C(=O)[O-])C(C)=O ZINC001605508517 1018607718 /nfs/dbraw/zinc/60/77/18/1018607718.db2.gz MIZFURBRJITPHD-ZJUUUORDSA-N -1 0 301.295 -0.543 20 0 DBADRM CCOC(=O)[C@@](C)(O)CNC(=O)CCc1ocnc1C(=O)[O-] ZINC001605508106 1018607810 /nfs/dbraw/zinc/60/78/10/1018607810.db2.gz NWCRXBHAQQOHSS-ZDUSSCGKSA-N -1 0 314.294 -0.264 20 0 DBADRM CCOC(=O)[C@H](C)CNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001605508031 1018608001 /nfs/dbraw/zinc/60/80/01/1018608001.db2.gz LMCSUVDUDGXONV-SECBINFHSA-N -1 0 310.306 -0.138 20 0 DBADRM Cc1c[nH]c(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001605503361 1018608017 /nfs/dbraw/zinc/60/80/17/1018608017.db2.gz RFKXXSOIYPSDSJ-ZETCQYMHSA-N -1 0 302.302 -0.633 20 0 DBADRM Cn1ccc(=O)n(CCCNC(=O)C2(C(=O)[O-])CCC2)c1=O ZINC001605501162 1018608073 /nfs/dbraw/zinc/60/80/73/1018608073.db2.gz GRAMBBWJAYQTRD-UHFFFAOYSA-N -1 0 309.322 -0.692 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)[C@]3(C(=O)[O-])CCCO3)C2)cn1 ZINC001605502182 1018608405 /nfs/dbraw/zinc/60/84/05/1018608405.db2.gz YVPLKCUCEMRTQD-YGRLFVJLSA-N -1 0 308.338 -0.251 20 0 DBADRM CCOC(=O)[C@@H](C)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001605507847 1018608819 /nfs/dbraw/zinc/60/88/19/1018608819.db2.gz IJDXPUJIXYTLJJ-RISCZKNCSA-N -1 0 300.355 -0.201 20 0 DBADRM CCOC(=O)[C@@]1(C)CN(CN2C[C@H](C(=O)[O-])CC2=O)CCO1 ZINC001605518038 1018609851 /nfs/dbraw/zinc/60/98/51/1018609851.db2.gz WCRGFKANHUQINJ-QMTHXVAHSA-N -1 0 314.338 -0.469 20 0 DBADRM Cn1ccnc1CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001605512538 1018610170 /nfs/dbraw/zinc/61/01/70/1018610170.db2.gz WVBROHIXLMUHDO-UHFFFAOYSA-N -1 0 324.337 -0.966 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C(C)=O ZINC001605510068 1018610531 /nfs/dbraw/zinc/61/05/31/1018610531.db2.gz WORDKQVSCWMONN-JFGNBEQYSA-N -1 0 315.322 -0.249 20 0 DBADRM CCOC(=O)C1(C(=O)O[C@@H](C)C(=O)C(=O)[O-])CCOCC1 ZINC001605515188 1018610680 /nfs/dbraw/zinc/61/06/80/1018610680.db2.gz LVBAITHZPCXWSV-QMMMGPOBSA-N -1 0 302.279 -0.068 20 0 DBADRM CCOC(=O)[C@H](CO)NS(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001605509357 1018610758 /nfs/dbraw/zinc/61/07/58/1018610758.db2.gz QQWNQLPEWDWBCE-RTBKNWGFSA-N -1 0 323.367 -0.527 20 0 DBADRM CCOC(=O)CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001605531570 1018612796 /nfs/dbraw/zinc/61/27/96/1018612796.db2.gz PMKPBVLHKRHHHE-VIFPVBQESA-N -1 0 302.327 -0.329 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@H](CO)[C@@H](O)c1ccccn1 ZINC001605533403 1018613190 /nfs/dbraw/zinc/61/31/90/1018613190.db2.gz CNPPBMAUTFMCIU-PWSUYJOCSA-N -1 0 320.305 -0.662 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)NC/C=C(\C)C(=O)[O-])CCO1 ZINC001605526518 1018614519 /nfs/dbraw/zinc/61/45/19/1018614519.db2.gz MGNSRJZYFSNMPQ-LLGDCAAFSA-N -1 0 300.311 -0.009 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC001605532887 1018614595 /nfs/dbraw/zinc/61/45/95/1018614595.db2.gz JRSCESGFWRDOPQ-LLVKDONJSA-N -1 0 322.365 -0.087 20 0 DBADRM CCOC(=O)CC1(NC(=O)Cn2ccc(C(=O)[O-])n2)COC1 ZINC001605533661 1018614648 /nfs/dbraw/zinc/61/46/48/1018614648.db2.gz RCERZNJBSULEEC-UHFFFAOYSA-N -1 0 311.294 -0.580 20 0 DBADRM Cn1cncc1CCOC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001605522581 1018614704 /nfs/dbraw/zinc/61/47/04/1018614704.db2.gz FVGURLXAOLYLAF-NSHDSACASA-N -1 0 309.322 -0.171 20 0 DBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)CN[C@@](C)(CO)C(=O)[O-] ZINC001605524618 1018614862 /nfs/dbraw/zinc/61/48/62/1018614862.db2.gz LYQOJAHDRJOFLT-HZMBPMFUSA-N -1 0 316.354 -0.644 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CNCc1nc2c(c(=O)[nH]1)COCC2 ZINC001605544927 1018616400 /nfs/dbraw/zinc/61/64/00/1018616400.db2.gz JUJJJLPXSVXRMS-UHFFFAOYSA-N -1 0 319.321 -0.024 20 0 DBADRM CCOC(=O)C[C@@H]1CCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001605536140 1018616465 /nfs/dbraw/zinc/61/64/65/1018616465.db2.gz XUXQGWGVGHNUAC-VIFPVBQESA-N -1 0 310.310 -0.080 20 0 DBADRM CCOC(=O)C[C@@H]1C[C@H](OC)CN1CC(=O)NCC(=O)[O-] ZINC001605535525 1018617140 /nfs/dbraw/zinc/61/71/40/1018617140.db2.gz RKDBKKSAVIATLG-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM CCOC(=O)CN(C)C(=O)COC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC001605538769 1018617960 /nfs/dbraw/zinc/61/79/60/1018617960.db2.gz CAFTUHDSUARTTA-DTWKUNHWSA-N -1 0 301.295 -0.338 20 0 DBADRM CCOC(=O)NCC(=O)N(CCC(=O)[O-])CC(OC)OC ZINC001605550652 1018619022 /nfs/dbraw/zinc/61/90/22/1018619022.db2.gz FTJYEFBAEPNLBB-UHFFFAOYSA-N -1 0 306.315 -0.345 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001605557591 1018620772 /nfs/dbraw/zinc/62/07/72/1018620772.db2.gz OGOYHMOLHNDEJC-AEJSXWLSSA-N -1 0 315.322 -0.092 20 0 DBADRM CCOC(=O)NCC(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001605551194 1018622549 /nfs/dbraw/zinc/62/25/49/1018622549.db2.gz JYGPZUYTZIIOEZ-QMMMGPOBSA-N -1 0 302.283 -0.649 20 0 DBADRM Cn1nccc1C1(O)CN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001605569377 1018623347 /nfs/dbraw/zinc/62/33/47/1018623347.db2.gz BTNOZUFRRBCVTC-UHFFFAOYSA-N -1 0 309.322 -0.669 20 0 DBADRM Cn1ncc(NC(=O)NCCOCCOCC(=O)[O-])cc1=O ZINC001605561936 1018624645 /nfs/dbraw/zinc/62/46/45/1018624645.db2.gz YMZXERXDJAAHQV-UHFFFAOYSA-N -1 0 314.298 -0.980 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001605563941 1018625504 /nfs/dbraw/zinc/62/55/04/1018625504.db2.gz RLJSYOJHKVUQPB-PSASIEDQSA-N -1 0 315.351 -0.513 20 0 DBADRM Cn1ncnc1C1(O)CCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001605571395 1018626955 /nfs/dbraw/zinc/62/69/55/1018626955.db2.gz PSJCSZWEYNBUIU-UHFFFAOYSA-N -1 0 308.338 -0.120 20 0 DBADRM Cn1ncnc1C1(O)CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC001605571590 1018627923 /nfs/dbraw/zinc/62/79/23/1018627923.db2.gz WPWGFHWBVJHSIO-SNVBAGLBSA-N -1 0 308.338 -0.264 20 0 DBADRM Cn1nccc1[C@@H]1c2[nH]cnc2CCN1CC(=O)NCC(=O)[O-] ZINC001605569676 1018627989 /nfs/dbraw/zinc/62/79/89/1018627989.db2.gz IQEGVXMZWHQRHI-CQSZACIVSA-N -1 0 318.337 -0.709 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O)CC2 ZINC001605571106 1018628218 /nfs/dbraw/zinc/62/82/18/1018628218.db2.gz KGIVWJYIUJLEMZ-KCJUWKMLSA-N -1 0 322.321 -0.851 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)Nc2ccnc(C(=O)[O-])c2)C1 ZINC001605570954 1018628378 /nfs/dbraw/zinc/62/83/78/1018628378.db2.gz FIIOXIFBQIWWBC-UHFFFAOYSA-N -1 0 318.293 -0.356 20 0 DBADRM Cn1ncnc1CCCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001605570969 1018628736 /nfs/dbraw/zinc/62/87/36/1018628736.db2.gz GSPXZOZGHQXSTI-VIFPVBQESA-N -1 0 317.371 -0.869 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N[C@@H]2CCCN(C(N)=O)C2)n1 ZINC001605572743 1018629036 /nfs/dbraw/zinc/62/90/36/1018629036.db2.gz MBWKALCOMQQKQR-MRVPVSSYSA-N -1 0 303.330 -0.080 20 0 DBADRM CCO[C@@H](C)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001605589846 1018630889 /nfs/dbraw/zinc/63/08/89/1018630889.db2.gz VCTMZCDRQDLIIK-SMDDNHRTSA-N -1 0 300.355 -0.201 20 0 DBADRM N#CN1CCC(OC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001605601553 1018631242 /nfs/dbraw/zinc/63/12/42/1018631242.db2.gz RWZPBBRMCQXANW-LLVKDONJSA-N -1 0 309.322 -0.202 20 0 DBADRM CCO[C@H]1C[C@](NCc2nc(N)nc(N)n2)(C(=O)[O-])C1(C)C ZINC001605603473 1018632181 /nfs/dbraw/zinc/63/21/81/1018632181.db2.gz IGHLFNNKRZCGMT-CPFSXVBKSA-N -1 0 310.358 -0.216 20 0 DBADRM CCOCC(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001605619146 1018634900 /nfs/dbraw/zinc/63/49/00/1018634900.db2.gz UAZFDVXVTVKVMY-VHSXEESVSA-N -1 0 324.337 -0.733 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CNC(=O)N1CCCC1 ZINC001605620719 1018635513 /nfs/dbraw/zinc/63/55/13/1018635513.db2.gz RHOIUFRFTJJJCV-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001605618456 1018636068 /nfs/dbraw/zinc/63/60/68/1018636068.db2.gz KZRXDGALLCDODH-BDAKNGLRSA-N -1 0 312.326 -0.506 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605626352 1018637160 /nfs/dbraw/zinc/63/71/60/1018637160.db2.gz DFYXSMQIEPEIKC-KXUCPTDWSA-N -1 0 311.338 -0.920 20 0 DBADRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)[C@H]1CN(C)C(=O)N1 ZINC001605631639 1018637422 /nfs/dbraw/zinc/63/74/22/1018637422.db2.gz YJBBGUBNUBPDRU-GHMZBOCLSA-N -1 0 315.370 -0.014 20 0 DBADRM NC(=O)COC1CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC001605631866 1018638322 /nfs/dbraw/zinc/63/83/22/1018638322.db2.gz NYPFECDJMOHATC-UHFFFAOYSA-N -1 0 307.306 -0.114 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001605627436 1018638399 /nfs/dbraw/zinc/63/83/99/1018638399.db2.gz CPBIMOMLFUWHED-ZETCQYMHSA-N -1 0 306.278 -0.948 20 0 DBADRM NC(=O)CC[C@H]1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001605631751 1018638448 /nfs/dbraw/zinc/63/84/48/1018638448.db2.gz GFGNAQOXLCSZDB-SECBINFHSA-N -1 0 309.326 -0.520 20 0 DBADRM NC(=O)COC1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001605631962 1018638669 /nfs/dbraw/zinc/63/86/69/1018638669.db2.gz VHFNNBGRKNDPSP-ZDUSSCGKSA-N -1 0 300.311 -0.887 20 0 DBADRM NC(=O)Cn1cc(NC(=O)N2CC[C@H](C(=O)[O-])C2)ccc1=O ZINC001605633859 1018639732 /nfs/dbraw/zinc/63/97/32/1018639732.db2.gz BAXKVQPLMBFZDY-QMMMGPOBSA-N -1 0 308.294 -0.728 20 0 DBADRM NC(=O)Cn1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)nn1 ZINC001605634011 1018639813 /nfs/dbraw/zinc/63/98/13/1018639813.db2.gz HWHRBSVTCOYLQD-LBPRGKRZSA-N -1 0 307.285 -0.182 20 0 DBADRM NC(=O)Cc1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC001605634895 1018639851 /nfs/dbraw/zinc/63/98/51/1018639851.db2.gz VKKAKKVJNUUCFT-LBPRGKRZSA-N -1 0 321.333 -0.291 20 0 DBADRM NC(=O)c1cn(C2CN(C(=O)[C@]3(C(=O)[O-])CC=CCC3)C2)nn1 ZINC001605642522 1018640005 /nfs/dbraw/zinc/64/00/05/1018640005.db2.gz HGWWACVYXSAOFI-AWEZNQCLSA-N -1 0 319.321 -0.429 20 0 DBADRM CCOCCONC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001605639424 1018640283 /nfs/dbraw/zinc/64/02/83/1018640283.db2.gz MRBTUFUIBFSKBZ-LBPRGKRZSA-N -1 0 301.299 -0.031 20 0 DBADRM CCOCCOCCCC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001605639374 1018640560 /nfs/dbraw/zinc/64/05/60/1018640560.db2.gz LPHVRSKTZCSGHK-LLVKDONJSA-N -1 0 316.354 -0.427 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])nc1Cl ZINC001605639679 1018640648 /nfs/dbraw/zinc/64/06/48/1018640648.db2.gz VMBLZEJYYCKKMR-QMMMGPOBSA-N -1 0 313.697 -0.241 20 0 DBADRM CCOCCOCCCC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001605639376 1018640770 /nfs/dbraw/zinc/64/07/70/1018640770.db2.gz LPHVRSKTZCSGHK-NSHDSACASA-N -1 0 316.354 -0.427 20 0 DBADRM NC(=O)Cn1cc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1=O ZINC001605633858 1018640934 /nfs/dbraw/zinc/64/09/34/1018640934.db2.gz BAXKVQPLMBFZDY-MRVPVSSYSA-N -1 0 308.294 -0.728 20 0 DBADRM CCON(C)C(=O)CNS(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001605646700 1018643412 /nfs/dbraw/zinc/64/34/12/1018643412.db2.gz BTSNZKHSXYAKOS-UHFFFAOYSA-N -1 0 322.383 -0.041 20 0 DBADRM CCOCn1nc(C)c(CC(=O)NC[C@@H](O)CC(=O)[O-])c1C ZINC001605646827 1018644032 /nfs/dbraw/zinc/64/40/32/1018644032.db2.gz FYZFQBPRHCAVKH-NSHDSACASA-N -1 0 313.354 -0.012 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001605650227 1018644070 /nfs/dbraw/zinc/64/40/70/1018644070.db2.gz XECSVJYYYHGFTK-AOOOYVTPSA-N -1 0 312.347 -0.144 20 0 DBADRM Nc1nccc([C@@H]2CCCN([C@H]3CCN(CC(=O)[O-])C3=O)C2)n1 ZINC001605655044 1018645005 /nfs/dbraw/zinc/64/50/05/1018645005.db2.gz BUOTWEIKWWVKTF-PWSUYJOCSA-N -1 0 319.365 -0.076 20 0 DBADRM Nc1ncc2c(n1)CN(C(=O)C1(C(=O)[O-])CCOCC1)CC2 ZINC001605655116 1018646002 /nfs/dbraw/zinc/64/60/02/1018646002.db2.gz FMZFGKGBERLEJI-UHFFFAOYSA-N -1 0 306.322 -0.175 20 0 DBADRM CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(N)=O ZINC001605680975 1018646432 /nfs/dbraw/zinc/64/64/32/1018646432.db2.gz QLGZLVIFPVMUAH-UHFFFAOYSA-N -1 0 316.335 -0.111 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 ZINC001605659862 1018647264 /nfs/dbraw/zinc/64/72/64/1018647264.db2.gz AQWGMYOWEXESEB-SBMIAAHKSA-N -1 0 303.336 -0.877 20 0 DBADRM O=C([O-])C(=O)COC(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC001605698515 1018648842 /nfs/dbraw/zinc/64/88/42/1018648842.db2.gz FNGRQPXCCLJMTL-UHFFFAOYSA-N -1 0 301.201 -0.109 20 0 DBADRM CCS(=O)(=O)CC(=O)Nc1c(C(=O)OC)c[nH]c1C(=O)[O-] ZINC001605718114 1018649204 /nfs/dbraw/zinc/64/92/04/1018649204.db2.gz BLEWXOOWXIDEPM-UHFFFAOYSA-N -1 0 318.307 -0.127 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605721142 1018649383 /nfs/dbraw/zinc/64/93/83/1018649383.db2.gz QSKHKTHGHPZEIB-XHNCKOQMSA-N -1 0 313.397 -0.408 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001605720246 1018649574 /nfs/dbraw/zinc/64/95/74/1018649574.db2.gz GQYZXSQTMIQRSN-ZYUZMQFOSA-N -1 0 307.368 -0.196 20 0 DBADRM O=C([O-])C(=O)COC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC001605698790 1018649761 /nfs/dbraw/zinc/64/97/61/1018649761.db2.gz RNWIBKJFDYJJNT-UHFFFAOYSA-N -1 0 309.230 -0.658 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NC(=O)CCNC(=O)CO)c2ccccc21 ZINC001605698783 1018649964 /nfs/dbraw/zinc/64/99/64/1018649964.db2.gz KCFOPZMXNSRFPI-NWDGAFQWSA-N -1 0 306.318 -0.086 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001605721227 1018650343 /nfs/dbraw/zinc/65/03/43/1018650343.db2.gz SRQFAJPSTXFLKF-MRVPVSSYSA-N -1 0 313.397 -0.264 20 0 DBADRM CCS(=O)(=O)NCC(=O)NCc1ccccc1CC(=O)[O-] ZINC001605727494 1018652365 /nfs/dbraw/zinc/65/23/65/1018652365.db2.gz HCVPSBRVLDRNEA-UHFFFAOYSA-N -1 0 314.363 -0.131 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001605727440 1018652459 /nfs/dbraw/zinc/65/24/59/1018652459.db2.gz DQERGJJTRJRCKD-KYXWUPHJSA-N -1 0 304.368 -0.459 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)NC/C=C(/C)C(=O)[O-])CC1 ZINC001605726575 1018652566 /nfs/dbraw/zinc/65/25/66/1018652566.db2.gz XAIWIDKKDAUXOC-WMZJFQQLSA-N -1 0 319.383 -0.306 20 0 DBADRM CCSCCCNC(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001605738938 1018654047 /nfs/dbraw/zinc/65/40/47/1018654047.db2.gz XHOATTQCXKAVGD-CYBMUJFWSA-N -1 0 318.395 -0.052 20 0 DBADRM O=C([O-])C1CCC(NC(=O)c2cnn(C[C@H](O)CO)c2)CC1 ZINC001605743891 1018654181 /nfs/dbraw/zinc/65/41/81/1018654181.db2.gz KEJHUYLXYDIUKO-NHNAUAITSA-N -1 0 311.338 -0.391 20 0 DBADRM O=C([O-])c1c[nH]nc1NC(=O)Cn1nc2ccccn2c1=O ZINC001605730324 1018654381 /nfs/dbraw/zinc/65/43/81/1018654381.db2.gz IGCICFSWYAIZOY-UHFFFAOYSA-N -1 0 302.250 -0.444 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1ccn2nnnc2c1 ZINC001605728791 1018654779 /nfs/dbraw/zinc/65/47/79/1018654779.db2.gz BAROXVHCXFVXCK-NSHDSACASA-N -1 0 312.289 -0.055 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H](CO)CN2CCOCC2)cn1 ZINC001605729819 1018655293 /nfs/dbraw/zinc/65/52/93/1018655293.db2.gz NRJSTKHROZRVDD-LLVKDONJSA-N -1 0 309.322 -0.797 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2CCO)C1 ZINC001605749330 1018657580 /nfs/dbraw/zinc/65/75/80/1018657580.db2.gz JUHGJFDAOYZOAE-GRYCIOLGSA-N -1 0 312.366 -0.023 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001605756894 1018657867 /nfs/dbraw/zinc/65/78/67/1018657867.db2.gz OWMBLQRTQORESD-UFBFGSQYSA-N -1 0 323.353 -0.090 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CNC(=O)c1ccncc1)C2 ZINC001605753180 1018658094 /nfs/dbraw/zinc/65/80/94/1018658094.db2.gz YFGAXKXJXBFYOA-IAQYHMDHSA-N -1 0 319.317 -0.629 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N[C@H]2CCc3nnnn3CC2)C1 ZINC001605752659 1018658929 /nfs/dbraw/zinc/65/89/29/1018658929.db2.gz MXHZCFJWKGHTSB-UTLUCORTSA-N -1 0 308.342 -0.070 20 0 DBADRM O=C([O-])C1(CNC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)CCC1 ZINC001605764673 1018658933 /nfs/dbraw/zinc/65/89/33/1018658933.db2.gz KIBKFWTUXGQEMJ-LBPRGKRZSA-N -1 0 320.367 -0.910 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC001605752607 1018659038 /nfs/dbraw/zinc/65/90/38/1018659038.db2.gz KAVDUWKNDIVZTL-MNOVXSKESA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])C1(CNC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CCC1 ZINC001605757521 1018659087 /nfs/dbraw/zinc/65/90/87/1018659087.db2.gz CQNFWXFYNSUEAU-AOOOYVTPSA-N -1 0 316.379 -0.073 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CC[C@H](O)[C@H](F)C2)CCOCC1 ZINC001605761141 1018659100 /nfs/dbraw/zinc/65/91/00/1018659100.db2.gz PKOMBVYRAXECJV-ZJUUUORDSA-N -1 0 304.318 -0.018 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)C1 ZINC001605752514 1018659513 /nfs/dbraw/zinc/65/95/13/1018659513.db2.gz BHFYQRQEJKEMAM-UWVGGRQHSA-N -1 0 306.322 -0.684 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)c1nc(C)n(-c2nc[nH]n2)n1)C(=O)[O-] ZINC001605756891 1018659537 /nfs/dbraw/zinc/65/95/37/1018659537.db2.gz OSAWVKOAMBKFQA-XPUUQOCRSA-N -1 0 307.314 -0.077 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2cccnc2)CCO1 ZINC001605786324 1018661004 /nfs/dbraw/zinc/66/10/04/1018661004.db2.gz JTQUPAUVHQWPRG-NSHDSACASA-N -1 0 307.306 -0.948 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCCc1cnccn1)C2 ZINC001605792757 1018662514 /nfs/dbraw/zinc/66/25/14/1018662514.db2.gz MLTCHIKOTJVOSP-HZMBPMFUSA-N -1 0 306.322 -0.238 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2O)c1 ZINC001605792785 1018663668 /nfs/dbraw/zinc/66/36/68/1018663668.db2.gz OPUNEWQOIIROQI-GZMMTYOYSA-N -1 0 307.306 -0.005 20 0 DBADRM CCc1ncc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])o1 ZINC001605860695 1018664221 /nfs/dbraw/zinc/66/42/21/1018664221.db2.gz CALLOPJBEFNDCF-WPRPVWTQSA-N -1 0 322.321 -0.184 20 0 DBADRM CCc1nnc(CN2C(=O)[C@@H]3CC[C@@H](C(=O)[O-])CN3C2=O)[nH]1 ZINC001605851526 1018664488 /nfs/dbraw/zinc/66/44/88/1018664488.db2.gz GWQKIDZEKONELV-SFYZADRCSA-N -1 0 307.310 -0.006 20 0 DBADRM CCc1nc[nH]c1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001605860523 1018665089 /nfs/dbraw/zinc/66/50/89/1018665089.db2.gz ZONMEILUQYFIMV-MRVPVSSYSA-N -1 0 315.351 -0.314 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2cccc(O)c2)CCO1 ZINC001605806484 1018665959 /nfs/dbraw/zinc/66/59/59/1018665959.db2.gz HHTDKYXKAPOJMD-NSHDSACASA-N -1 0 308.290 -0.680 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC001605837401 1018666266 /nfs/dbraw/zinc/66/62/66/1018666266.db2.gz GVMJFWUOFVSIFU-UYUMYWFVSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCSC[C@@H]1CCO ZINC001605837562 1018666473 /nfs/dbraw/zinc/66/64/73/1018666473.db2.gz VAQPKBUDSKXHKU-GUBZILKMSA-N -1 0 316.379 -0.708 20 0 DBADRM CCc1ccc(CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])nc1 ZINC001605810268 1018667218 /nfs/dbraw/zinc/66/72/18/1018667218.db2.gz UGFACYYRXXYFLE-GFCCVEGCSA-N -1 0 305.334 -0.012 20 0 DBADRM CCc1noc(CN2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001605877666 1018668125 /nfs/dbraw/zinc/66/81/25/1018668125.db2.gz PVIUYDLOEOBWOF-VHSXEESVSA-N -1 0 308.338 -0.005 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccccn1)C2 ZINC001605867113 1018668331 /nfs/dbraw/zinc/66/83/31/1018668331.db2.gz RQELXAZSGPCUJU-YMTOWFKASA-N -1 0 305.290 -0.420 20 0 DBADRM CCc1nnc(C(=O)NCCC(=O)NCCC(=O)[O-])s1 ZINC001605867739 1018668616 /nfs/dbraw/zinc/66/86/16/1018668616.db2.gz FBEXJHXGMYPZFK-UHFFFAOYSA-N -1 0 300.340 -0.189 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N[C@H](CO)CC2CC2)c1 ZINC001605870825 1018668729 /nfs/dbraw/zinc/66/87/29/1018668729.db2.gz FTFGOVUQXGGTDN-NSHDSACASA-N -1 0 307.306 -0.005 20 0 DBADRM CCc1nn(C)c(OC)c1CNC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001605865640 1018669119 /nfs/dbraw/zinc/66/91/19/1018669119.db2.gz IBJKEJFOXOHFMJ-UHFFFAOYSA-N -1 0 312.326 -0.668 20 0 DBADRM CCc1nocc1CS(=O)(=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC001605878098 1018669275 /nfs/dbraw/zinc/66/92/75/1018669275.db2.gz PSRPNPRMEMZVDX-JTQLQIEISA-N -1 0 304.324 -0.259 20 0 DBADRM CCc1nn(C)cc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001605866551 1018670156 /nfs/dbraw/zinc/67/01/56/1018670156.db2.gz MJWUWPKVMKEKDJ-SNVBAGLBSA-N -1 0 315.351 -0.694 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001605866234 1018670213 /nfs/dbraw/zinc/67/02/13/1018670213.db2.gz CALPXSWVYKZUNZ-DTWKUNHWSA-N -1 0 317.367 -0.561 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ccnn2C2CCC2)CC1 ZINC001605886138 1018671109 /nfs/dbraw/zinc/67/11/09/1018671109.db2.gz PDVJCBDPVRTYJZ-UHFFFAOYSA-N -1 0 306.322 -0.023 20 0 DBADRM CCc1oncc1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001605896668 1018672237 /nfs/dbraw/zinc/67/22/37/1018672237.db2.gz OMKFRPZPQZXQCZ-UHFFFAOYSA-N -1 0 305.294 -0.011 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001605903962 1018672577 /nfs/dbraw/zinc/67/25/77/1018672577.db2.gz PHSCNNCNRSVPLX-QWRGUYRKSA-N -1 0 312.347 -0.229 20 0 DBADRM CCn1cc(C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)cn1 ZINC001605915436 1018673219 /nfs/dbraw/zinc/67/32/19/1018673219.db2.gz NDMUKNSCZLZUJW-UHFFFAOYSA-N -1 0 318.337 -0.003 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CCN(c3cnccn3)CC2)CCCO1 ZINC001605916237 1018674152 /nfs/dbraw/zinc/67/41/52/1018674152.db2.gz NTWKJIMBUZTOKG-CQSZACIVSA-N -1 0 306.322 -0.241 20 0 DBADRM CCn1cc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)cn1 ZINC001605917112 1018674181 /nfs/dbraw/zinc/67/41/81/1018674181.db2.gz DPUWCZYVHAUOJQ-UHFFFAOYSA-N -1 0 315.351 -0.335 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@]2(CO)COCCN2)CCSCC1 ZINC001605924009 1018674476 /nfs/dbraw/zinc/67/44/76/1018674476.db2.gz LMJWGGBTOPLOFG-LBPRGKRZSA-N -1 0 318.395 -0.949 20 0 DBADRM O=C([O-])C1(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)CC1 ZINC001605916594 1018674798 /nfs/dbraw/zinc/67/47/98/1018674798.db2.gz VQIWWLMIOALCRW-RKDXNWHRSA-N -1 0 303.336 -0.734 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@H]2CC[C@@H](O)C2)CCS(=O)(=O)CC1 ZINC001605924045 1018674961 /nfs/dbraw/zinc/67/49/61/1018674961.db2.gz MXSZIDDHFVCAHG-NXEZZACHSA-N -1 0 319.379 -0.457 20 0 DBADRM CCn1cc(CC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])nn1 ZINC001605920301 1018675741 /nfs/dbraw/zinc/67/57/41/1018675741.db2.gz IFHVUHDDOFMKEA-JTQLQIEISA-N -1 0 309.326 -0.968 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)c1 ZINC001605932341 1018676554 /nfs/dbraw/zinc/67/65/54/1018676554.db2.gz IFBGQCKAZYATFD-SNVBAGLBSA-N -1 0 313.339 -0.259 20 0 DBADRM CCn1nc(C)c(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001605934772 1018676602 /nfs/dbraw/zinc/67/66/02/1018676602.db2.gz OQFCESDMCGQEPE-VIFPVBQESA-N -1 0 319.325 -0.017 20 0 DBADRM O=C([O-])C1(C(=O)NCC2=CCCOC2)CCS(=O)(=O)CC1 ZINC001605924329 1018677707 /nfs/dbraw/zinc/67/77/07/1018677707.db2.gz SOPXZHWVQALEOG-UHFFFAOYSA-N -1 0 317.363 -0.271 20 0 DBADRM CCn1nncc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001605946751 1018679031 /nfs/dbraw/zinc/67/90/31/1018679031.db2.gz CVYRUFKPISKBMR-NXEZZACHSA-N -1 0 321.337 -0.699 20 0 DBADRM CCn1nncc1CN1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001605947076 1018679439 /nfs/dbraw/zinc/67/94/39/1018679439.db2.gz SMYCTJUESIMKOB-VXGBXAGGSA-N -1 0 307.354 -0.339 20 0 DBADRM CCn1nccc1S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001605946045 1018680130 /nfs/dbraw/zinc/68/01/30/1018680130.db2.gz QWKRNOGOXVBDFF-RKDXNWHRSA-N -1 0 303.340 -0.641 20 0 DBADRM CCn1ncc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1C ZINC001605941740 1018680284 /nfs/dbraw/zinc/68/02/84/1018680284.db2.gz ZGFWILTVAWMEKS-QWRGUYRKSA-N -1 0 320.349 -0.127 20 0 DBADRM CCn1ncc(Br)c1C(=O)NC[C@H](O)C(=O)[O-] ZINC001605940804 1018680369 /nfs/dbraw/zinc/68/03/69/1018680369.db2.gz WPYFWNRKSDYLIJ-LURJTMIESA-N -1 0 306.116 -0.159 20 0 DBADRM CN(C(=O)CC(N)=O)[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001605956969 1018681974 /nfs/dbraw/zinc/68/19/74/1018681974.db2.gz DJGXASCBMXNLEL-QMMMGPOBSA-N -1 0 307.310 -0.913 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001605957520 1018682025 /nfs/dbraw/zinc/68/20/25/1018682025.db2.gz RPSVKHZTZJNUAI-DTWKUNHWSA-N -1 0 322.321 -0.871 20 0 DBADRM CN(C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)C1CC(C)(C)C1 ZINC001605951011 1018682425 /nfs/dbraw/zinc/68/24/25/1018682425.db2.gz FQHWWOVRKJLEQM-KOLCDFICSA-N -1 0 312.366 -0.073 20 0 DBADRM CN(C(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)C1CCC1 ZINC001605951962 1018682617 /nfs/dbraw/zinc/68/26/17/1018682617.db2.gz NCTGRUOPEYACFX-ZUZCIYMTSA-N -1 0 310.350 -0.053 20 0 DBADRM CN(C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)C1CC(C)(C)C1 ZINC001605951012 1018682922 /nfs/dbraw/zinc/68/29/22/1018682922.db2.gz FQHWWOVRKJLEQM-MWLCHTKSSA-N -1 0 312.366 -0.073 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cn(C)cn2)C1 ZINC001605957827 1018683770 /nfs/dbraw/zinc/68/37/70/1018683770.db2.gz UZNGXLOCEKJMCZ-ZJUUUORDSA-N -1 0 306.322 -0.576 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NC[C@@H](CO)Cc2cccnc2)C1 ZINC001605967591 1018684447 /nfs/dbraw/zinc/68/44/47/1018684447.db2.gz JTUOTWXVOOHFAZ-JQWIXIFHSA-N -1 0 307.306 -0.422 20 0 DBADRM CN(C(=O)CN1CCNCC1=O)c1nc(CC(=O)[O-])cs1 ZINC001605962411 1018684899 /nfs/dbraw/zinc/68/48/99/1018684899.db2.gz TZQDGPJPRKVRJK-UHFFFAOYSA-N -1 0 312.351 -0.835 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CC(c3[nH]nc4c3COCC4)C2)C1 ZINC001605963432 1018685415 /nfs/dbraw/zinc/68/54/15/1018685415.db2.gz BAVLGOWDNMPAFL-LLVKDONJSA-N -1 0 320.305 -0.362 20 0 DBADRM CN(C(=O)CCSCC(=O)[O-])N1CCS(=O)(=O)CC1 ZINC001605962018 1018685922 /nfs/dbraw/zinc/68/59/22/1018685922.db2.gz ROEOJLPPTMLILY-UHFFFAOYSA-N -1 0 310.397 -0.702 20 0 DBADRM CN(C(=O)[C@@H]1CC[C@H](C(N)=O)O1)c1nc(CC(=O)[O-])cs1 ZINC001605976789 1018687927 /nfs/dbraw/zinc/68/79/27/1018687927.db2.gz GGPOJRUHBFEQBG-SFYZADRCSA-N -1 0 313.335 -0.234 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCN(c3cnccn3)CC2)C1 ZINC001605976971 1018688049 /nfs/dbraw/zinc/68/80/49/1018688049.db2.gz IPZABOBIMFPUAY-LLVKDONJSA-N -1 0 305.338 -0.511 20 0 DBADRM CN(C)C(=O)C1(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CC1 ZINC001605991363 1018688170 /nfs/dbraw/zinc/68/81/70/1018688170.db2.gz RRDCTEXIHWFVEG-CYBMUJFWSA-N -1 0 309.322 -0.313 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(CN3CCOC3=O)CC2)C1 ZINC001605977424 1018688183 /nfs/dbraw/zinc/68/81/83/1018688183.db2.gz LBLRGDNWZKZSAQ-JTQLQIEISA-N -1 0 311.338 -0.206 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CC[C@@H](CN3CCOC3=O)C2)C1 ZINC001605976633 1018688259 /nfs/dbraw/zinc/68/82/59/1018688259.db2.gz FKWQNMHPJYNNGR-GHMZBOCLSA-N -1 0 311.338 -0.349 20 0 DBADRM CN(C(=O)c1cnc[nH]c1=O)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001605977838 1018688974 /nfs/dbraw/zinc/68/89/74/1018688974.db2.gz UQBULQZPPLXRPV-RKDXNWHRSA-N -1 0 320.305 -0.814 20 0 DBADRM CN(C)C(=O)C1(NS(=O)(=O)CC2(C(=O)[O-])CCC2)CC1 ZINC001605991650 1018689283 /nfs/dbraw/zinc/68/92/83/1018689283.db2.gz ZDNJVHQEJZWFDD-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@@H](CCCO)C2)CC1 ZINC001605999862 1018689902 /nfs/dbraw/zinc/68/99/02/1018689902.db2.gz CPAMVTWPRXFJMX-LLVKDONJSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])[C@@H]1CCCN1Cc1cn(CC2(O)CCOCC2)nn1 ZINC001605998020 1018690392 /nfs/dbraw/zinc/69/03/92/1018690392.db2.gz JESVVMFMMMCLMU-LBPRGKRZSA-N -1 0 310.354 -0.131 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)c2cc(C(=O)[O-])on2)CC1 ZINC001605997063 1018690760 /nfs/dbraw/zinc/69/07/60/1018690760.db2.gz OPUZQSVLHNGPEG-UHFFFAOYSA-N -1 0 310.310 -0.781 20 0 DBADRM CN(CC(=O)NC(C)(C)CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001606079862 1018713604 /nfs/dbraw/zinc/71/36/04/1018713604.db2.gz ODOSFGQUZALXHP-VIFPVBQESA-N -1 0 306.384 -0.525 20 0 DBADRM Cc1conc1C(=O)NCCNc1cncc(-c2nn[nH]n2)n1 ZINC001605998993 1018691272 /nfs/dbraw/zinc/69/12/72/1018691272.db2.gz ITUNALRFXWHUMF-UHFFFAOYSA-N -1 0 315.297 -0.205 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N(CCO)Cc2ccccc2)C1 ZINC001605998649 1018691890 /nfs/dbraw/zinc/69/18/90/1018691890.db2.gz OPIQIEKGSFEPJU-CYBMUJFWSA-N -1 0 320.345 -0.059 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(C(F)F)C2)C1 ZINC001605999983 1018691958 /nfs/dbraw/zinc/69/19/58/1018691958.db2.gz JVVSPSNLMKQWGK-KRTXAFLBSA-N -1 0 306.265 -0.852 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)CCCCC(=O)[O-] ZINC001606095675 1018717863 /nfs/dbraw/zinc/71/78/63/1018717863.db2.gz NVZYPRGMJZFRRB-GFCCVEGCSA-N -1 0 302.371 -0.217 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC001606004364 1018693178 /nfs/dbraw/zinc/69/31/78/1018693178.db2.gz NLJGZBPKCCWBLS-UHFFFAOYSA-N -1 0 309.326 -0.593 20 0 DBADRM CN(C)[C@@]1(C(=O)N[C@@H](CO)C(=O)[O-])COc2ccccc2C1 ZINC001606011464 1018694656 /nfs/dbraw/zinc/69/46/56/1018694656.db2.gz NCBOHZYAWPCDAX-XHDPSFHLSA-N -1 0 308.334 -0.516 20 0 DBADRM CN(C)C(=O)OCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001606003234 1018694763 /nfs/dbraw/zinc/69/47/63/1018694763.db2.gz WTEWBAYWMPACQA-UHFFFAOYSA-N -1 0 319.339 -0.300 20 0 DBADRM CN(C)S(=O)(=O)NCCNCc1ncc(C(=O)[O-])s1 ZINC001606038528 1018702887 /nfs/dbraw/zinc/70/28/87/1018702887.db2.gz ARGNKHXSJSDKRN-UHFFFAOYSA-N -1 0 308.385 -0.673 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001606038785 1018704122 /nfs/dbraw/zinc/70/41/22/1018704122.db2.gz DVYHFJIXJOFCAB-VIFPVBQESA-N -1 0 305.356 -0.986 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001606037116 1018704469 /nfs/dbraw/zinc/70/44/69/1018704469.db2.gz ATCDHQXCFHKJFJ-ARJAWSKDSA-N -1 0 316.335 -0.001 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)Cn1nc(C(=O)[O-])nc1Cl ZINC001606044873 1018705762 /nfs/dbraw/zinc/70/57/62/1018705762.db2.gz DCNIQKJPRQFCQN-LJQANCHMSA-N -1 0 309.735 -0.269 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001606044865 1018706108 /nfs/dbraw/zinc/70/61/08/1018706108.db2.gz CYYIMOVRRCYOOK-YYSFKGJASA-N -1 0 313.401 -0.398 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])co1 ZINC001606039444 1018706328 /nfs/dbraw/zinc/70/63/28/1018706328.db2.gz ZZXWFWDHOSHVHU-VXNVDRBHSA-N -1 0 316.335 -0.020 20 0 DBADRM CN(C)c1cc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)ncn1 ZINC001606049661 1018706447 /nfs/dbraw/zinc/70/64/47/1018706447.db2.gz CSNTVOCCXIFVAL-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001606039341 1018706835 /nfs/dbraw/zinc/70/68/35/1018706835.db2.gz PLGJWLBISWIMLB-PTRXPTGYSA-N -1 0 319.383 -0.906 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001606045546 1018707018 /nfs/dbraw/zinc/70/70/18/1018707018.db2.gz MFZXNYWYUKIUOP-SWHJWPDWSA-N -1 0 321.399 -0.301 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnn2cccnc12 ZINC001606057880 1018707355 /nfs/dbraw/zinc/70/73/55/1018707355.db2.gz UNHSTFHEEUSMKM-VIFPVBQESA-N -1 0 324.318 -0.947 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001606056955 1018708665 /nfs/dbraw/zinc/70/86/65/1018708665.db2.gz HNSAVKVLFXDKFB-ZETCQYMHSA-N -1 0 323.277 -0.398 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1cn(CC2CC2)nn1 ZINC001606057683 1018709086 /nfs/dbraw/zinc/70/90/86/1018709086.db2.gz ROPUPJZITLAQTN-NSHDSACASA-N -1 0 314.367 -0.628 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc2nccn21 ZINC001606057937 1018709602 /nfs/dbraw/zinc/70/96/02/1018709602.db2.gz VVDARZHHFLCMFG-SNVBAGLBSA-N -1 0 323.330 -0.342 20 0 DBADRM O=C([O-])/C=C\c1cc(C(=O)N2CC3(C2)C[C@H](O)CNC3=O)co1 ZINC001606064242 1018709785 /nfs/dbraw/zinc/70/97/85/1018709785.db2.gz XYNVCHAAVKCKJB-SYBPUXJVSA-N -1 0 320.301 -0.300 20 0 DBADRM CN(C)c1noc(CCC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)n1 ZINC001606070162 1018711182 /nfs/dbraw/zinc/71/11/82/1018711182.db2.gz IXGQFEFVLJTAFQ-BDAKNGLRSA-N -1 0 312.326 -0.638 20 0 DBADRM O=C([O-])CC1(NC(=O)CC[C@@H]2NC(=O)NC2=O)CCOCC1 ZINC001606078043 1018711660 /nfs/dbraw/zinc/71/16/60/1018711660.db2.gz XPPFDESJVXRXSG-QMMMGPOBSA-N -1 0 313.310 -0.885 20 0 DBADRM Cc1ncc(S(=O)(=O)N(C)C2CC(O)C2)cc1-c1nn[nH]n1 ZINC001606091405 1018713169 /nfs/dbraw/zinc/71/31/69/1018713169.db2.gz BRLHPHFAHGDZKQ-UHFFFAOYSA-N -1 0 324.366 -0.286 20 0 DBADRM CN(CC(C)(C)S(C)(=O)=O)[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001606089847 1018713430 /nfs/dbraw/zinc/71/34/30/1018713430.db2.gz DUBOCQGWEOJNGK-SNVBAGLBSA-N -1 0 320.411 -0.183 20 0 DBADRM O=C([O-])CC1(NC(=O)CS(=O)(=O)C2CC2)CCOCC1 ZINC001606080003 1018713800 /nfs/dbraw/zinc/71/38/00/1018713800.db2.gz YDTBMSMEJQDCJX-UHFFFAOYSA-N -1 0 305.352 -0.296 20 0 DBADRM CN(CC(=O)[O-])CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC001606087696 1018714241 /nfs/dbraw/zinc/71/42/41/1018714241.db2.gz KXOGQTZSELMHKV-UHFFFAOYSA-N -1 0 307.350 -0.093 20 0 DBADRM CN(CC(=O)NC1CC1)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001606080873 1018714322 /nfs/dbraw/zinc/71/43/22/1018714322.db2.gz WBKOKSXCSXFNSY-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H]2CCOC2)cc1-c1nn[nH]n1 ZINC001606091777 1018714612 /nfs/dbraw/zinc/71/46/12/1018714612.db2.gz RIJGDGLMUZLALB-QMMMGPOBSA-N -1 0 310.339 -0.363 20 0 DBADRM Cc1ncc(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)o1 ZINC001606089465 1018715498 /nfs/dbraw/zinc/71/54/98/1018715498.db2.gz QRZHXONRSNBKDX-UHFFFAOYSA-N -1 0 318.297 -0.827 20 0 DBADRM CN(CC(=O)Nc1cccc(C(=O)[O-])n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001606085312 1018715873 /nfs/dbraw/zinc/71/58/73/1018715873.db2.gz SQZYPWYCTYATMF-DTORHVGOSA-N -1 0 306.322 -0.086 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001606094099 1018716356 /nfs/dbraw/zinc/71/63/56/1018716356.db2.gz PJZWXVYPDFPUKW-VXGBXAGGSA-N -1 0 312.366 -0.167 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001606187435 1018717185 /nfs/dbraw/zinc/71/71/85/1018717185.db2.gz SHPBDFXEQDPRFM-BDAKNGLRSA-N -1 0 300.311 -0.670 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001606096068 1018718699 /nfs/dbraw/zinc/71/86/99/1018718699.db2.gz UGLWKYAUULBJBG-VCANKDNSSA-N -1 0 312.366 -0.607 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001606185417 1018718986 /nfs/dbraw/zinc/71/89/86/1018718986.db2.gz SKTYPPWPKUATOV-SNVBAGLBSA-N -1 0 312.322 -0.526 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)[C@@H](C(=O)[O-])c1cccnc1 ZINC001606094599 1018719275 /nfs/dbraw/zinc/71/92/75/1018719275.db2.gz CZQSNNAFFCEAMB-ZIAGYGMSSA-N -1 0 309.366 -0.168 20 0 DBADRM CN(Cc1nncn1C)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001606179375 1018719444 /nfs/dbraw/zinc/71/94/44/1018719444.db2.gz QCSYVKCARBNEJT-UHFFFAOYSA-N -1 0 317.352 -0.210 20 0 DBADRM CN1C(=O)CN(CC(=O)N2CCSC[C@H]2CC(=O)[O-])C1=O ZINC001606189154 1018719989 /nfs/dbraw/zinc/71/99/89/1018719989.db2.gz CYLFBGSXZJJRRR-MRVPVSSYSA-N -1 0 315.351 -0.701 20 0 DBADRM CN(c1ccnc(C(=O)[O-])n1)C1CCN(C(=O)CC(N)=O)CC1 ZINC001606183884 1018719999 /nfs/dbraw/zinc/71/99/99/1018719999.db2.gz SVXLZSRIKSCOQX-UHFFFAOYSA-N -1 0 321.337 -0.523 20 0 DBADRM CN(CC1(CO)CC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001606108187 1018720518 /nfs/dbraw/zinc/72/05/18/1018720518.db2.gz OEUHQKSWVKBNQY-UHFFFAOYSA-N -1 0 306.384 -0.268 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CC[C@H](CO)[C@H](O)C2)CO1 ZINC001606108305 1018721765 /nfs/dbraw/zinc/72/17/65/1018721765.db2.gz RTMYHNHTYZHDNJ-WRWGMCAJSA-N -1 0 301.339 -0.542 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCOC[C@@H]1C[C@H]1CCOC1 ZINC001606190361 1018721746 /nfs/dbraw/zinc/72/17/46/1018721746.db2.gz RZDUDKHMNXOXTI-MNOVXSKESA-N -1 0 314.338 -0.769 20 0 DBADRM CN1C(=O)CN(NS(=O)(=O)CCCCCC(=O)[O-])C1=O ZINC001606189294 1018722413 /nfs/dbraw/zinc/72/24/13/1018722413.db2.gz FZUTUURCENMAMH-UHFFFAOYSA-N -1 0 307.328 -0.640 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NCCC2CS(=O)(=O)C2)CO1 ZINC001606108054 1018723067 /nfs/dbraw/zinc/72/30/67/1018723067.db2.gz PDBTVLYZGUOINI-WDEREUQCSA-N -1 0 319.379 -0.193 20 0 DBADRM CN(C[C@@H](O)c1cccnc1)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001606109011 1018723217 /nfs/dbraw/zinc/72/32/17/1018723217.db2.gz VHKDAOWQVWOEAJ-LLVKDONJSA-N -1 0 305.294 -0.437 20 0 DBADRM CN1C(=O)CSC1=CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001606191427 1018723710 /nfs/dbraw/zinc/72/37/10/1018723710.db2.gz MBEGCMYYAIVYSI-FSXAFEARSA-N -1 0 310.335 -0.432 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)CC1 ZINC001606110602 1018724019 /nfs/dbraw/zinc/72/40/19/1018724019.db2.gz SYNQFHGIUOBQGM-MGCOHNPYSA-N -1 0 321.399 -0.481 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC001606189697 1018724253 /nfs/dbraw/zinc/72/42/53/1018724253.db2.gz RGLQKPVYXUHLQB-GFCCVEGCSA-N -1 0 305.290 -0.178 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001606194007 1018724283 /nfs/dbraw/zinc/72/42/83/1018724283.db2.gz INHSNOBGBJJBMQ-KNVOCYPGSA-N -1 0 321.293 -0.803 20 0 DBADRM CN1C(=O)c2ccc(C(=O)NC[C@@H](O)CC(=O)[O-])cc2C1=O ZINC001606193845 1018724563 /nfs/dbraw/zinc/72/45/63/1018724563.db2.gz ACDMMXHBJWANOA-QMMMGPOBSA-N -1 0 306.274 -0.522 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)C(=O)Nc2ccccc2)CC1=O ZINC001606198368 1018724920 /nfs/dbraw/zinc/72/49/20/1018724920.db2.gz UNNUWVWOPIGCNC-JTQLQIEISA-N -1 0 305.290 -0.621 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)Cc2c[nH]c3ncccc23)CC1=O ZINC001606199257 1018725095 /nfs/dbraw/zinc/72/50/95/1018725095.db2.gz COWBLYCFPCNTPF-LLVKDONJSA-N -1 0 316.317 -0.141 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)NCc2nnnn2C2CC2)CO1 ZINC001606111405 1018725492 /nfs/dbraw/zinc/72/54/92/1018725492.db2.gz GVDWNGGBLZKXHV-WPRPVWTQSA-N -1 0 309.326 -0.106 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)/C=C/c2cncc(O)c2)CC1=O ZINC001606197620 1018725673 /nfs/dbraw/zinc/72/56/73/1018725673.db2.gz HXIGBUJPEFSWOW-KXMPLOMGSA-N -1 0 305.290 -0.446 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@H]2COc3ccccc32)CC1=O ZINC001606198567 1018725743 /nfs/dbraw/zinc/72/57/43/1018725743.db2.gz WSNJJAXCMRDKEY-QWRGUYRKSA-N -1 0 304.302 -0.084 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)CSc2ccncc2)CC1=O ZINC001606199687 1018726052 /nfs/dbraw/zinc/72/60/52/1018726052.db2.gz HWBAYVYSFUAOOG-SNVBAGLBSA-N -1 0 309.347 -0.073 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cnc3[nH]cnc3c2)CC1=O ZINC001606198880 1018726689 /nfs/dbraw/zinc/72/66/89/1018726689.db2.gz AWKCGXVJTSTYEE-SECBINFHSA-N -1 0 303.278 -0.675 20 0 DBADRM CN(CCCN(C)c1ccnc(C(=O)[O-])n1)C(=O)c1cn[nH]n1 ZINC001606121322 1018727184 /nfs/dbraw/zinc/72/71/84/1018727184.db2.gz GVGGROISSNNLMO-UHFFFAOYSA-N -1 0 319.325 -0.109 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@@H]2C[C@@]2(C)Br)CC1=O ZINC001606198169 1018727196 /nfs/dbraw/zinc/72/71/96/1018727196.db2.gz ROOMMFGAAHPLIQ-MVKOHCKWSA-N -1 0 319.155 -0.086 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc(CO)c(F)c2)CC1=O ZINC001606198917 1018727523 /nfs/dbraw/zinc/72/75/23/1018727523.db2.gz BMFBAISKIQEQGD-LLVKDONJSA-N -1 0 310.281 -0.315 20 0 DBADRM CN1C[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])NCC1=O ZINC001606198156 1018727713 /nfs/dbraw/zinc/72/77/13/1018727713.db2.gz RDVHYLMXGDQOOW-VXGBXAGGSA-N -1 0 323.324 -0.632 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C(C)(C)C1 ZINC001606203017 1018728130 /nfs/dbraw/zinc/72/81/30/1018728130.db2.gz OYQLUHLENFKBSR-MRVPVSSYSA-N -1 0 302.356 -0.274 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)cc1C(=O)[O-] ZINC001606203406 1018728593 /nfs/dbraw/zinc/72/85/93/1018728593.db2.gz SUJNHTDGIIAXIZ-QMMMGPOBSA-N -1 0 322.321 -0.601 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ocnc2C(F)F)CC1=O ZINC001606204475 1018729108 /nfs/dbraw/zinc/72/91/08/1018729108.db2.gz UAPAKODTYZCCCJ-RXMQYKEDSA-N -1 0 303.221 -0.020 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C[C@H](O)CC2(O)CCCC2)CC1=O ZINC001606201654 1018729229 /nfs/dbraw/zinc/72/92/29/1018729229.db2.gz DCITWAJPEXHBCS-GHMZBOCLSA-N -1 0 300.355 -0.730 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@H]1CCC(=O)N(C)C1 ZINC001606202643 1018730176 /nfs/dbraw/zinc/73/01/76/1018730176.db2.gz LPCKNVNCNQTUSU-LBPRGKRZSA-N -1 0 311.382 -0.138 20 0 DBADRM O=C([O-])CC[C@H]1CCCN(C(=O)C(=O)N2CCNC(=O)C2)C1 ZINC001606123157 1018730077 /nfs/dbraw/zinc/73/00/77/1018730077.db2.gz REDASZQJJJKLKO-SNVBAGLBSA-N -1 0 311.338 -0.952 20 0 DBADRM O=C([O-])CC[C@H]1CCCN(C(=O)C(=O)NCCn2cncn2)C1 ZINC001606123015 1018730190 /nfs/dbraw/zinc/73/01/90/1018730190.db2.gz MATZKZTWYGGKQI-LLVKDONJSA-N -1 0 323.353 -0.502 20 0 DBADRM CN1C[C@H](OC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CNC1=O ZINC001606204830 1018730988 /nfs/dbraw/zinc/73/09/88/1018730988.db2.gz IWGHEANLDMBQMS-IVZWLZJFSA-N -1 0 300.311 -0.177 20 0 DBADRM Cn1c(=O)[nH]c(N2CC[C@@H]2C(C)(C)C)c(-c2nnn[n-]2)c1=O ZINC001606202202 1018732418 /nfs/dbraw/zinc/73/24/18/1018732418.db2.gz LYLXZWNIPCGHBK-SSDOTTSWSA-N -1 0 305.342 -0.122 20 0 DBADRM CN(CCN1CCCS1(=O)=O)Cc1cc(C(=O)[O-])no1 ZINC001606127530 1018733559 /nfs/dbraw/zinc/73/35/59/1018733559.db2.gz STUWVHDXKNHFQO-UHFFFAOYSA-N -1 0 303.340 -0.160 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])CC1=O ZINC001606209533 1018733854 /nfs/dbraw/zinc/73/38/54/1018733854.db2.gz WMWDAAYZXMGYFJ-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM CN(CCN(C)c1ncc(C(=O)[O-])cn1)C(=O)c1cn[nH]n1 ZINC001606127070 1018733825 /nfs/dbraw/zinc/73/38/25/1018733825.db2.gz TVENIUSGYUBKGO-UHFFFAOYSA-N -1 0 305.298 -0.499 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)[C@]12C[C@H]1COC2 ZINC001606132922 1018737923 /nfs/dbraw/zinc/73/79/23/1018737923.db2.gz JDTPEYUCXOSVGX-XPTSAGLGSA-N -1 0 306.322 -0.497 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)C1=O ZINC001606212701 1018741472 /nfs/dbraw/zinc/74/14/72/1018741472.db2.gz QFILOBSYMJTCCI-WWALYXLFSA-N -1 0 310.350 -0.007 20 0 DBADRM CN1CC[C@H](C(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])C1=O ZINC001606211890 1018741529 /nfs/dbraw/zinc/74/15/29/1018741529.db2.gz DRSMTOMZXGILRE-VXGBXAGGSA-N -1 0 305.334 -0.081 20 0 DBADRM CN(CCn1cccn1)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606141957 1018742302 /nfs/dbraw/zinc/74/23/02/1018742302.db2.gz YLRRIAXNEQGHCX-LLVKDONJSA-N -1 0 308.338 -0.335 20 0 DBADRM CN1CC[C@@](Cc2ccccc2)(C(=O)N[C@H](CO)C(=O)[O-])C1=O ZINC001606212222 1018742437 /nfs/dbraw/zinc/74/24/37/1018742437.db2.gz FPIUNEBCQDODFH-MLGOLLRUSA-N -1 0 320.345 -0.361 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC=C(Cl)C2)n(C)c1=O ZINC001606217743 1018744503 /nfs/dbraw/zinc/74/45/03/1018744503.db2.gz ROFARJYEDJOPSJ-UHFFFAOYSA-N -1 0 323.744 -0.403 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2C[C@H]3C=C[C@@H]2C3)c1=O ZINC001606222012 1018744759 /nfs/dbraw/zinc/74/47/59/1018744759.db2.gz WMTNQNXORBISMH-IVZWLZJFSA-N -1 0 300.322 -0.061 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2nnc(C3CC3)o2)c1=O ZINC001606221391 1018745120 /nfs/dbraw/zinc/74/51/20/1018745120.db2.gz DTPNDXGHNZFRMH-UHFFFAOYSA-N -1 0 316.281 -0.964 20 0 DBADRM CN(Cc1cnccn1)C(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606172845 1018745835 /nfs/dbraw/zinc/74/58/35/1018745835.db2.gz ALRVODKMVLKLNE-JGZJWPJOSA-N -1 0 306.322 -0.243 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)c2occc2C(=O)[O-])CC1=O ZINC001606218784 1018746569 /nfs/dbraw/zinc/74/65/69/1018746569.db2.gz CHJWDJVVQDYZSZ-ZETCQYMHSA-N -1 0 302.308 -0.123 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CC[C@@H]2CCCCO2)c1=O ZINC001606221729 1018748701 /nfs/dbraw/zinc/74/87/01/1018748701.db2.gz NAWFVKIXLMFSCK-VIFPVBQESA-N -1 0 306.326 -0.314 20 0 DBADRM CN1CC[C@H]1CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001606218342 1018749559 /nfs/dbraw/zinc/74/95/59/1018749559.db2.gz DEMYKNPENQYIES-NSHDSACASA-N -1 0 321.333 -0.091 20 0 DBADRM CN1CCN(C(=O)C[C@H]2C=CS(=O)(=O)C2)C[C@H](C(=O)[O-])C1 ZINC001606228393 1018753363 /nfs/dbraw/zinc/75/33/63/1018753363.db2.gz HMSWEOSQZMTYBD-GHMZBOCLSA-N -1 0 316.379 -0.590 20 0 DBADRM CN1CCCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001606225084 1018755091 /nfs/dbraw/zinc/75/50/91/1018755091.db2.gz WZPVFYCLGAQSAB-QWRGUYRKSA-N -1 0 318.395 -0.429 20 0 DBADRM CN1CCCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001606225083 1018755578 /nfs/dbraw/zinc/75/55/78/1018755578.db2.gz WZPVFYCLGAQSAB-MNOVXSKESA-N -1 0 318.395 -0.429 20 0 DBADRM CN1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1(C)C ZINC001606230204 1018759793 /nfs/dbraw/zinc/75/97/93/1018759793.db2.gz WCMYMXKOTHSWQE-MNOVXSKESA-N -1 0 311.382 -0.092 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC[C@H](Nc3ncccn3)C2)C1=O ZINC001606231498 1018761001 /nfs/dbraw/zinc/76/10/01/1018761001.db2.gz JSQMPRHBRCZTLR-QWRGUYRKSA-N -1 0 305.338 -0.352 20 0 DBADRM CN1CCN(CC(=O)N[C@H](CC(=O)[O-])c2ccncc2)CC1=O ZINC001606239897 1018772523 /nfs/dbraw/zinc/77/25/23/1018772523.db2.gz ZRPZBFCYCQHTEF-GFCCVEGCSA-N -1 0 320.349 -0.512 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001606248849 1018775765 /nfs/dbraw/zinc/77/57/65/1018775765.db2.gz CVBBVXKOHPCFBP-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)C1=O ZINC001606249181 1018776048 /nfs/dbraw/zinc/77/60/48/1018776048.db2.gz HGNRMSFVCAHXKU-DOMZBBRYSA-N -1 0 321.333 -0.255 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)Cn2cc(C3CC3)cn2)C1=O ZINC001606247362 1018777141 /nfs/dbraw/zinc/77/71/41/1018777141.db2.gz FZEJPULQGMZUIL-LLVKDONJSA-N -1 0 307.306 -0.011 20 0 DBADRM CN1CCc2c(NC(=O)N3CC(O)(C(=O)[O-])C3)cccc2C1=O ZINC001606250464 1018778724 /nfs/dbraw/zinc/77/87/24/1018778724.db2.gz JWVVNKMGCJNSPC-UHFFFAOYSA-N -1 0 319.317 -0.022 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)C1=O ZINC001606252381 1018778947 /nfs/dbraw/zinc/77/89/47/1018778947.db2.gz XVVTVBFNJOFWIO-UJSNTIJXSA-N -1 0 322.361 -0.151 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NC[C@H]2CCCC[C@@H]2O)C1=O ZINC001606250349 1018779275 /nfs/dbraw/zinc/77/92/75/1018779275.db2.gz KRLWVLQEUQJOFK-WOPDTQHZSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCC(=O)N2CCCC2)C1=O ZINC001606249280 1018779312 /nfs/dbraw/zinc/77/93/12/1018779312.db2.gz FWJDYIVIQGUUQC-JTQLQIEISA-N -1 0 311.338 -0.952 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCOCC3(CC3)C2)C1=O ZINC001606251702 1018780607 /nfs/dbraw/zinc/78/06/07/1018780607.db2.gz OXYGAMQWXRFJCR-NSHDSACASA-N -1 0 310.350 -0.051 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCc2csc(=O)[nH]2)C1=O ZINC001606253920 1018781839 /nfs/dbraw/zinc/78/18/39/1018781839.db2.gz ZUZHDFRIAYQYJR-MRVPVSSYSA-N -1 0 313.335 -0.212 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)N[C@@H](CO)CCF)C1=O ZINC001606257693 1018781870 /nfs/dbraw/zinc/78/18/70/1018781870.db2.gz OPOALHOIKZISCH-NXEZZACHSA-N -1 0 319.333 -0.528 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC001606258624 1018783199 /nfs/dbraw/zinc/78/31/99/1018783199.db2.gz GFNKRFSSKMYQOE-PHDIDXHHSA-N -1 0 321.259 -0.267 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](N2C(=O)CN(C3CC3)C2=O)C1=O ZINC001606257660 1018783248 /nfs/dbraw/zinc/78/32/48/1018783248.db2.gz NOVYNSCOLPTETD-SNVBAGLBSA-N -1 0 309.322 -0.121 20 0 DBADRM Cn1ccc(S(=O)(=O)[N-]c2c(-c3nn[nH]n3)cnn2C)n1 ZINC001606254110 1018784311 /nfs/dbraw/zinc/78/43/11/1018784311.db2.gz ZLTNUGWFNFHFQX-UHFFFAOYSA-N -1 0 309.315 -0.866 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N[C@H]2CCOC2=O)C1=O ZINC001606255814 1018784485 /nfs/dbraw/zinc/78/44/85/1018784485.db2.gz RUNUCHINTUDAFM-IUCAKERBSA-N -1 0 313.310 -0.933 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001606262713 1018785271 /nfs/dbraw/zinc/78/52/71/1018785271.db2.gz BONYHZRXARUIAG-KOLCDFICSA-N -1 0 321.333 -0.423 20 0 DBADRM O=C([O-])CNC(=O)CN1CC[C@@H](c2ccccc2)S1(=O)=O ZINC001606264431 1018786298 /nfs/dbraw/zinc/78/62/98/1018786298.db2.gz KUSVSJUUYGAWHH-NSHDSACASA-N -1 0 312.347 -0.036 20 0 DBADRM CNC(=O)[C@@H](O)CNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001606261182 1018786339 /nfs/dbraw/zinc/78/63/39/1018786339.db2.gz GEUQCJXLMSSZBN-VIFPVBQESA-N -1 0 300.698 -0.125 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(Cc2ccc(O)cc2)CC1 ZINC001606264377 1018787470 /nfs/dbraw/zinc/78/74/70/1018787470.db2.gz IGBGLHMEGYRGRJ-UHFFFAOYSA-N -1 0 307.350 -0.289 20 0 DBADRM CNC(=O)C1(NC(=O)c2cnc(C(=O)[O-])cn2)CCOCC1 ZINC001606263310 1018787550 /nfs/dbraw/zinc/78/75/50/1018787550.db2.gz JYITUXJRHPSAIL-UHFFFAOYSA-N -1 0 308.294 -0.800 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001606265093 1018789237 /nfs/dbraw/zinc/78/92/37/1018789237.db2.gz JHFQRPYTAPDIKW-UHFFFAOYSA-N -1 0 304.262 -0.171 20 0 DBADRM CNC(=O)[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CCO1 ZINC001606266750 1018789512 /nfs/dbraw/zinc/78/95/12/1018789512.db2.gz ZZUVIFZCCSYCMZ-SECBINFHSA-N -1 0 320.367 -0.982 20 0 DBADRM CNC(=O)CCNC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001606267015 1018790855 /nfs/dbraw/zinc/79/08/55/1018790855.db2.gz KKRYPNGBXPPWOS-QMMMGPOBSA-N -1 0 309.326 -0.149 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC(O)(Cc2ccccn2)CC1 ZINC001606264680 1018791606 /nfs/dbraw/zinc/79/16/06/1018791606.db2.gz TVCQLLCNJVENAP-UHFFFAOYSA-N -1 0 307.350 -0.348 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cccc(N2CCNC2=O)c1 ZINC001606265068 1018791921 /nfs/dbraw/zinc/79/19/21/1018791921.db2.gz HYNPZDLLDJCMEN-UHFFFAOYSA-N -1 0 321.289 -0.426 20 0 DBADRM CNC(=O)[C@@H]1CN(c2cc(C)nc3nc(C(=O)[O-])nn32)CCO1 ZINC001606266096 1018792188 /nfs/dbraw/zinc/79/21/88/1018792188.db2.gz IHAQVUZZZREZEK-QMMMGPOBSA-N -1 0 320.309 -0.918 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC2(F)F)c1[O-] ZINC001501489475 1018792685 /nfs/dbraw/zinc/79/26/85/1018792685.db2.gz OGHPYLCKJGCFFB-NKWVEPMBSA-N -1 0 318.280 -0.714 20 0 DBADRM O=C([O-])COCC(=O)NCc1cnc(N2CCOCC2)s1 ZINC001606272894 1018793423 /nfs/dbraw/zinc/79/34/23/1018793423.db2.gz MABAWFOXNLHOGP-UHFFFAOYSA-N -1 0 315.351 -0.303 20 0 DBADRM CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)CC(N)=O ZINC001606272778 1018794262 /nfs/dbraw/zinc/79/42/62/1018794262.db2.gz DLVWXQDIPQMCPW-UHFFFAOYSA-N -1 0 309.278 -0.677 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001606273038 1018794811 /nfs/dbraw/zinc/79/48/11/1018794811.db2.gz IVWCNUSWKZJNSD-VIFPVBQESA-N -1 0 321.333 -0.250 20 0 DBADRM Cn1[nH]c(Cn2cc(-c3nnn[n-]3)c(=O)c3ccccc32)nc1=O ZINC001606270798 1018795385 /nfs/dbraw/zinc/79/53/85/1018795385.db2.gz CVLOFFVVOJFUFK-UHFFFAOYSA-N -1 0 324.304 -0.348 20 0 DBADRM CNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)[O-])nn2)CC1 ZINC001606270302 1018797299 /nfs/dbraw/zinc/79/72/99/1018797299.db2.gz DBUYESQDKCXYDF-UHFFFAOYSA-N -1 0 322.325 -0.930 20 0 DBADRM O=C([O-])COCCNC(=O)NCCc1cn2c(n1)SCC2 ZINC001606279313 1018798896 /nfs/dbraw/zinc/79/88/96/1018798896.db2.gz LCZZWCMZTURRSA-UHFFFAOYSA-N -1 0 314.367 -0.068 20 0 DBADRM CNC(=O)NC(=O)COC(=O)c1ccsc1CC(=O)[O-] ZINC001606277641 1018798960 /nfs/dbraw/zinc/79/89/60/1018798960.db2.gz BMZKEZOPTMJKJM-UHFFFAOYSA-N -1 0 300.292 -0.012 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@H](N2CCOC2=O)C1 ZINC001606279512 1018799617 /nfs/dbraw/zinc/79/96/17/1018799617.db2.gz XYMNKZOTXNCLDT-VIFPVBQESA-N -1 0 301.299 -0.676 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)NC[C@@H](O)CC(=O)[O-])cc1 ZINC001606274999 1018800379 /nfs/dbraw/zinc/80/03/79/1018800379.db2.gz CXEAIVBRXBAJPS-NSHDSACASA-N -1 0 309.322 -0.068 20 0 DBADRM O=C([O-])COCCOCCNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001606279134 1018801025 /nfs/dbraw/zinc/80/10/25/1018801025.db2.gz SOWOPUJHAANVBF-SNVBAGLBSA-N -1 0 311.338 -0.251 20 0 DBADRM CNC(=O)NC[C@H]1CN(c2cc(CC(=O)[O-])ccn2)CCO1 ZINC001606281998 1018802309 /nfs/dbraw/zinc/80/23/09/1018802309.db2.gz UQISEXRSZUKJIS-NSHDSACASA-N -1 0 308.338 -0.157 20 0 DBADRM Cn1nccc1CCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001606282532 1018802363 /nfs/dbraw/zinc/80/23/63/1018802363.db2.gz YOLCGSQQPKZSMT-UHFFFAOYSA-N -1 0 317.313 -0.946 20 0 DBADRM CNC(=O)[C@H](CCSC)NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001606283545 1018802440 /nfs/dbraw/zinc/80/24/40/1018802440.db2.gz DZIDBHQRSXLLBA-QMMMGPOBSA-N -1 0 324.424 -0.219 20 0 DBADRM CNC(=O)NCCC(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC001606281282 1018802593 /nfs/dbraw/zinc/80/25/93/1018802593.db2.gz RUEFMTORMAMZMR-QMMMGPOBSA-N -1 0 300.340 -0.426 20 0 DBADRM Cn1nnnc1CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001606289240 1018802969 /nfs/dbraw/zinc/80/29/69/1018802969.db2.gz ZJCIHXKNFUKYEZ-UHFFFAOYSA-N -1 0 301.270 -0.974 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NCC1(O)CCCC1 ZINC001606284793 1018803835 /nfs/dbraw/zinc/80/38/35/1018803835.db2.gz MEADBNRBHOWQQP-UHFFFAOYSA-N -1 0 304.343 -0.292 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)cc1 ZINC001606286404 1018803842 /nfs/dbraw/zinc/80/38/42/1018803842.db2.gz WJAZCLYACOXDAW-DGCLKSJQSA-N -1 0 309.318 -0.035 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001606283725 1018804075 /nfs/dbraw/zinc/80/40/75/1018804075.db2.gz JPNBWQHYOQCZGK-ZETCQYMHSA-N -1 0 323.305 -0.417 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N[C@@H]1CCCC[C@H]1O ZINC001606284833 1018804262 /nfs/dbraw/zinc/80/42/62/1018804262.db2.gz NMYDHHYLWGYOBC-GHMZBOCLSA-N -1 0 304.343 -0.293 20 0 DBADRM CNC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)nn1 ZINC001606289634 1018804716 /nfs/dbraw/zinc/80/47/16/1018804716.db2.gz JUXBRDOZAJGBJA-CBAPKCEASA-N -1 0 323.309 -0.458 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC001606292172 1018804869 /nfs/dbraw/zinc/80/48/69/1018804869.db2.gz GAGMWCHVPDTTTI-FAAWYNLUSA-N -1 0 319.317 -0.498 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)N2CC[C@](O)(C(=O)[O-])C2)c1 ZINC001606292175 1018805185 /nfs/dbraw/zinc/80/51/85/1018805185.db2.gz GAGMWCHVPDTTTI-XYBNCVKDSA-N -1 0 319.317 -0.498 20 0 DBADRM O=C([O-])CS(=O)(=O)CCS(=O)(=O)[C@H]1CCCOC1 ZINC001606297461 1018806371 /nfs/dbraw/zinc/80/63/71/1018806371.db2.gz SIQXBGGNNHUIAR-QMMMGPOBSA-N -1 0 300.354 -0.920 20 0 DBADRM CNS(=O)(=O)CCNC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001606301445 1018807087 /nfs/dbraw/zinc/80/70/87/1018807087.db2.gz HSGJOAWCVLNABZ-UHFFFAOYSA-N -1 0 304.328 -0.606 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(c2nccc(C(=O)[O-])n2)C1 ZINC001606299067 1018807207 /nfs/dbraw/zinc/80/72/07/1018807207.db2.gz REKUAXIMOJPULD-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM CNc1cnc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)OC)cn1 ZINC001606313509 1018807897 /nfs/dbraw/zinc/80/78/97/1018807897.db2.gz RUKCIKBUDXZJFN-WPRPVWTQSA-N -1 0 322.321 -0.003 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)/C=C\C(=O)[O-])o1 ZINC001606304751 1018807990 /nfs/dbraw/zinc/80/79/90/1018807990.db2.gz VKBONCQZPTVCQZ-GLCRXLCDSA-N -1 0 302.308 -0.053 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)OCC(=O)CCC(=O)[O-])o1 ZINC001606304656 1018808003 /nfs/dbraw/zinc/80/80/03/1018808003.db2.gz QIVYKJIUPBNYBU-UHFFFAOYSA-N -1 0 319.291 -0.222 20 0 DBADRM CNc1cc(C(=O)NCC(=O)NCC(=O)[O-])cc(Cl)n1 ZINC001606308984 1018808025 /nfs/dbraw/zinc/80/80/25/1018808025.db2.gz RTAQHZBTPPSKEK-UHFFFAOYSA-N -1 0 300.702 -0.293 20 0 DBADRM CNc1cnc(C(=O)N2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)[O-])cn1 ZINC001606312991 1018808148 /nfs/dbraw/zinc/80/81/48/1018808148.db2.gz ITOBGGGMARCADV-WCBMZHEXSA-N -1 0 322.321 -0.003 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001606302955 1018808225 /nfs/dbraw/zinc/80/82/25/1018808225.db2.gz OYSDZTVPODQTPK-OPRDCNLKSA-N -1 0 319.383 -0.570 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001606308519 1018808285 /nfs/dbraw/zinc/80/82/85/1018808285.db2.gz CXMRPJIKUYLPRV-ZCFIWIBFSA-N -1 0 322.364 -0.778 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001606303177 1018808443 /nfs/dbraw/zinc/80/84/43/1018808443.db2.gz VCWFHHBORMQIDB-UHFFFAOYSA-N -1 0 316.339 -0.159 20 0 DBADRM O=C([O-])CSCC(=O)OC[C@@H]1CCc2nnnn2CC1 ZINC001606306148 1018808869 /nfs/dbraw/zinc/80/88/69/1018808869.db2.gz NYFZTCSXVKNBIT-MRVPVSSYSA-N -1 0 300.340 -0.013 20 0 DBADRM COC(=O)[C@](C)(CCF)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001606318237 1018809065 /nfs/dbraw/zinc/80/90/65/1018809065.db2.gz IYPIJFFNGGMYOI-LBPRGKRZSA-N -1 0 301.274 -0.011 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@H](C(=O)[O-])c1ccn(C)n1 ZINC001606321382 1018809118 /nfs/dbraw/zinc/80/91/18/1018809118.db2.gz IHEVXSLJXKIQID-CBAPKCEASA-N -1 0 319.339 -0.726 20 0 DBADRM CNc1nnc(CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])s1 ZINC001606315897 1018809248 /nfs/dbraw/zinc/80/92/48/1018809248.db2.gz YPWNRTZZGDOZTR-HZGVNTEJSA-N -1 0 300.340 -0.272 20 0 DBADRM COC(=O)[C@@](C)(CO)NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001606319047 1018809484 /nfs/dbraw/zinc/80/94/84/1018809484.db2.gz VVTVSSUDAWMFCT-GFCCVEGCSA-N -1 0 317.319 -0.413 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001606321414 1018809658 /nfs/dbraw/zinc/80/96/58/1018809658.db2.gz JKXVINUYIMDZRD-MRVPVSSYSA-N -1 0 309.340 -0.963 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cnn(C)c1C ZINC001606325660 1018810725 /nfs/dbraw/zinc/81/07/25/1018810725.db2.gz OJRJDVXDIYRHBD-SSDOTTSWSA-N -1 0 305.312 -0.977 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(OC)nc1 ZINC001606325318 1018810764 /nfs/dbraw/zinc/81/07/64/1018810764.db2.gz KPZQAQQFXFBOTN-MRVPVSSYSA-N -1 0 318.307 -0.615 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCN(Cc3ccco3)CC2)nn1 ZINC001606325452 1018810998 /nfs/dbraw/zinc/81/09/98/1018810998.db2.gz BYSWZLRWMFNAQA-UHFFFAOYSA-N -1 0 319.321 -0.086 20 0 DBADRM COC(=O)[C@H](CC(F)F)NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001606325120 1018811059 /nfs/dbraw/zinc/81/10/59/1018811059.db2.gz IJUWVOCRTVLBJG-RITPCOANSA-N -1 0 303.283 -0.177 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCCC[C@@H]1C ZINC001606326608 1018811342 /nfs/dbraw/zinc/81/13/42/1018811342.db2.gz ZNQDFFFQSWRRTQ-DTWKUNHWSA-N -1 0 308.356 -0.289 20 0 DBADRM COC(=O)[C@@H](CF)NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001606331090 1018811359 /nfs/dbraw/zinc/81/13/59/1018811359.db2.gz FGVWXJGQGCXTQM-MRVPVSSYSA-N -1 0 306.271 -0.431 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@H](c3cnccn3)C2)nn1 ZINC001606326235 1018811385 /nfs/dbraw/zinc/81/13/85/1018811385.db2.gz NHOAAHDTGNZWTF-VIFPVBQESA-N -1 0 302.294 -0.218 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@H](N3CCC3)[C@H](F)C2)nn1 ZINC001606326549 1018811446 /nfs/dbraw/zinc/81/14/46/1018811446.db2.gz RZWWOOBXXJNAQT-KOLCDFICSA-N -1 0 311.317 -0.379 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCS[C@@H]3COCC[C@H]32)nn1 ZINC001606326210 1018811562 /nfs/dbraw/zinc/81/15/62/1018811562.db2.gz MJYOYPGZSDMAMS-NXEZZACHSA-N -1 0 312.351 -0.291 20 0 DBADRM O=C([O-])Cn1cc(COC(=O)c2cccn3c(=O)[nH]nc23)nn1 ZINC001606339275 1018812523 /nfs/dbraw/zinc/81/25/23/1018812523.db2.gz PDSWXYYAMCDTCK-UHFFFAOYSA-N -1 0 318.249 -0.532 20 0 DBADRM COC(=O)[C@H](NC(=O)COCc1ocnc1C(=O)[O-])C1CC1 ZINC001606332407 1018813177 /nfs/dbraw/zinc/81/31/77/1018813177.db2.gz MLAGHPFMQMJQDN-SNVBAGLBSA-N -1 0 312.278 -0.043 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NC2(C(F)F)CC2)n1 ZINC001606340815 1018813225 /nfs/dbraw/zinc/81/32/25/1018813225.db2.gz CZIDZSCMZVNKRO-UHFFFAOYSA-N -1 0 302.237 -0.180 20 0 DBADRM COC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(C(=O)[O-])n1C ZINC001606332008 1018813375 /nfs/dbraw/zinc/81/33/75/1018813375.db2.gz AUJKJLNAVXYHDI-VIFPVBQESA-N -1 0 320.305 -0.109 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCC2CCOCC2)n1 ZINC001606340865 1018813394 /nfs/dbraw/zinc/81/33/94/1018813394.db2.gz GWDLEKTUCDLNRA-UHFFFAOYSA-N -1 0 310.310 -0.551 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001606356749 1018815430 /nfs/dbraw/zinc/81/54/30/1018815430.db2.gz JTBGQTQEZJOPPD-LBPRGKRZSA-N -1 0 312.282 -0.740 20 0 DBADRM COC(=O)[C@]1(NS(=O)(=O)CCCCCC(=O)[O-])CCOC1 ZINC001606354826 1018815742 /nfs/dbraw/zinc/81/57/42/1018815742.db2.gz WSEWFNKYLJFTHR-LBPRGKRZSA-N -1 0 323.367 -0.117 20 0 DBADRM COC(=O)[C@]1(OC)CCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001606356745 1018816132 /nfs/dbraw/zinc/81/61/32/1018816132.db2.gz JQKDEFWWHBCGPF-ZDUSSCGKSA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)[C@@]1(OC)CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001606358013 1018816197 /nfs/dbraw/zinc/81/61/97/1018816197.db2.gz YEWVHPCFXNWEFP-GFCCVEGCSA-N -1 0 323.367 -0.309 20 0 DBADRM COC(=O)C12CC(C1)CN2CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001606357065 1018816241 /nfs/dbraw/zinc/81/62/41/1018816241.db2.gz KOPJLMTXLLAMCT-UHFFFAOYSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)CSc2nncs2)n1 ZINC001606354112 1018816280 /nfs/dbraw/zinc/81/62/80/1018816280.db2.gz TXEFSZFWYIEAQL-UHFFFAOYSA-N -1 0 300.325 -0.055 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC001606356677 1018816490 /nfs/dbraw/zinc/81/64/90/1018816490.db2.gz HIOGNBFQNNFBAM-OAHLLOKOSA-N -1 0 323.301 -0.100 20 0 DBADRM COC(=O)[C@]1(O)CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC001606356735 1018816529 /nfs/dbraw/zinc/81/65/29/1018816529.db2.gz JIDDWLVENVTBHY-LBPRGKRZSA-N -1 0 321.351 -0.819 20 0 DBADRM COC(=O)[C@]1(NS(=O)(=O)C[C@@H](C)C(=O)[O-])CCSC1 ZINC001606354593 1018816571 /nfs/dbraw/zinc/81/65/71/1018816571.db2.gz RKJBVLCOQLGMCY-XCBNKYQSSA-N -1 0 311.381 -0.325 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1nccnc1N ZINC001606372796 1018817552 /nfs/dbraw/zinc/81/75/52/1018817552.db2.gz HVZYFXAIGDVMHL-SFYZADRCSA-N -1 0 308.294 -0.463 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cn1cccnc1=O ZINC001606369830 1018817586 /nfs/dbraw/zinc/81/75/86/1018817586.db2.gz HVBZHMZVCZGLOI-NXEZZACHSA-N -1 0 323.305 -0.892 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)Cn1cccnc1=O ZINC001606369831 1018818388 /nfs/dbraw/zinc/81/83/88/1018818388.db2.gz HVBZHMZVCZGLOI-UWVGGRQHSA-N -1 0 323.305 -0.892 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1CCN1CCOC1=O ZINC001606385305 1018818723 /nfs/dbraw/zinc/81/87/23/1018818723.db2.gz IARVJVYABRMEOO-ZJUUUORDSA-N -1 0 300.311 -0.223 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)NCCCCC(=O)[O-])C1 ZINC001606378858 1018819238 /nfs/dbraw/zinc/81/92/38/1018819238.db2.gz XFGLCGFLFIBSDN-ZJUUUORDSA-N -1 0 302.327 -0.193 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@H]1CCNC(=O)C1 ZINC001606383777 1018819395 /nfs/dbraw/zinc/81/93/95/1018819395.db2.gz JYOZVHNQXRNOOO-AEJSXWLSSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001606383778 1018819735 /nfs/dbraw/zinc/81/97/35/1018819735.db2.gz JYOZVHNQXRNOOO-BBBLOLIVSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cn1cccnc1=O ZINC001606382989 1018819802 /nfs/dbraw/zinc/81/98/02/1018819802.db2.gz AGWXHAJABGMBJE-NXEZZACHSA-N -1 0 323.305 -0.892 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC001606375706 1018819874 /nfs/dbraw/zinc/81/98/74/1018819874.db2.gz DDEXSBXIRQEPKT-IUCAKERBSA-N -1 0 309.340 -0.963 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2COCCO2)C1 ZINC001606388516 1018820721 /nfs/dbraw/zinc/82/07/21/1018820721.db2.gz NSHADMWGVVMRQU-UTLUCORTSA-N -1 0 301.295 -0.733 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1nnc(C)o1 ZINC001606386216 1018820881 /nfs/dbraw/zinc/82/08/81/1018820881.db2.gz YSUAUVDVHCZFJU-DTWKUNHWSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2COCCO2)C1 ZINC001606388507 1018820902 /nfs/dbraw/zinc/82/09/02/1018820902.db2.gz NSHADMWGVVMRQU-BBBLOLIVSA-N -1 0 301.295 -0.733 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCCCC(N)=O)C1 ZINC001606388464 1018820992 /nfs/dbraw/zinc/82/09/92/1018820992.db2.gz NNOWZUITWKYNGX-UWVGGRQHSA-N -1 0 314.338 -0.103 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCO[C@H]1CCCCO1 ZINC001606388018 1018821393 /nfs/dbraw/zinc/82/13/93/1018821393.db2.gz GMJBTOXYIBERBR-QWRGUYRKSA-N -1 0 322.383 -0.087 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2ccnn2C)C1 ZINC001606392938 1018822275 /nfs/dbraw/zinc/82/22/75/1018822275.db2.gz QWLXOGORPSPVAC-MWLCHTKSSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(OC)ncn2)C1 ZINC001606392084 1018822639 /nfs/dbraw/zinc/82/26/39/1018822639.db2.gz LSIUCRGNTXWZID-WCBMZHEXSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001606392102 1018823215 /nfs/dbraw/zinc/82/32/15/1018823215.db2.gz MAKGYXSXZCEPNH-AEJSXWLSSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@@H]1C(=O)[O-] ZINC001606418730 1018830327 /nfs/dbraw/zinc/83/03/27/1018830327.db2.gz NLZKGKXOLYBOQY-DTWKUNHWSA-N -1 0 321.351 -0.858 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1 ZINC001606402920 1018824764 /nfs/dbraw/zinc/82/47/64/1018824764.db2.gz HZBKPFRZOBQTAE-UWVGGRQHSA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H](O)c2cccnc2)[C@@H](C(=O)[O-])C1 ZINC001606403244 1018824951 /nfs/dbraw/zinc/82/49/51/1018824951.db2.gz GCZDDWFCTRRSOE-YUSALJHKSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCn2ccnn2)[C@@H](C(=O)[O-])C1 ZINC001606402687 1018825006 /nfs/dbraw/zinc/82/50/06/1018825006.db2.gz GAVNNWHIQBBGJA-NXEZZACHSA-N -1 0 310.310 -0.467 20 0 DBADRM NC(=O)[C@@H]1CN(c2nc(-c3nnn[n-]3)c(Cl)s2)CCO1 ZINC001606409811 1018826907 /nfs/dbraw/zinc/82/69/07/1018826907.db2.gz WXFXLWYWSYGNKD-BYPYZUCNSA-N -1 0 315.746 -0.333 20 0 DBADRM NC(=O)[C@@H]1CC[C@H]1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001606410000 1018827115 /nfs/dbraw/zinc/82/71/15/1018827115.db2.gz OHRVUFUKNFQISJ-NXEZZACHSA-N -1 0 302.294 -0.212 20 0 DBADRM COC(=O)[C@@H]1CCN(Cc2nnc3n2CCOC3)[C@H](C(=O)[O-])C1 ZINC001606413517 1018827754 /nfs/dbraw/zinc/82/77/54/1018827754.db2.gz CRNOEBMTDARPMG-ZJUUUORDSA-N -1 0 324.337 -0.354 20 0 DBADRM COC(=O)[C@@H]1CCN(Cc2nnc3n2CCOC3)[C@@H](C(=O)[O-])C1 ZINC001606413514 1018828131 /nfs/dbraw/zinc/82/81/31/1018828131.db2.gz CRNOEBMTDARPMG-NXEZZACHSA-N -1 0 324.337 -0.354 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCO1 ZINC001606417026 1018829343 /nfs/dbraw/zinc/82/93/43/1018829343.db2.gz FYZWDEZTYVOAOA-AXFHLTTASA-N -1 0 315.322 -0.343 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@]2(O)CCSC2)C[C@@H]1C(=O)[O-] ZINC001606418127 1018829411 /nfs/dbraw/zinc/82/94/11/1018829411.db2.gz WAZJRGYCIIIXEW-JOAULVNJSA-N -1 0 303.336 -0.813 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](NC(C)=O)C(C)C)C[C@@H]1C(=O)[O-] ZINC001606417572 1018829503 /nfs/dbraw/zinc/82/95/03/1018829503.db2.gz QTTQQAAETYSESU-AXFHLTTASA-N -1 0 314.338 -0.521 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(C)C2=O)C[C@H]1C(=O)[O-] ZINC001606417798 1018829551 /nfs/dbraw/zinc/82/95/51/1018829551.db2.gz SLGQBNMIZSPNFV-OPRDCNLKSA-N -1 0 312.322 -0.813 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@H]1C(=O)[O-] ZINC001606418733 1018829975 /nfs/dbraw/zinc/82/99/75/1018829975.db2.gz NLZKGKXOLYBOQY-RKDXNWHRSA-N -1 0 321.351 -0.858 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(C)C2=O)C[C@@H]1C(=O)[O-] ZINC001606417794 1018830211 /nfs/dbraw/zinc/83/02/11/1018830211.db2.gz SLGQBNMIZSPNFV-KXUCPTDWSA-N -1 0 312.322 -0.813 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CC(C)=NO2)C[C@@H]1C(=O)[O-] ZINC001606416484 1018830252 /nfs/dbraw/zinc/83/02/52/1018830252.db2.gz CCEZBROYURUPFL-KXUCPTDWSA-N -1 0 313.310 -0.334 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2cc(C)nn2C)C[C@H]1C(=O)[O-] ZINC001606420068 1018831407 /nfs/dbraw/zinc/83/14/07/1018831407.db2.gz GJGOQYPMLVEJJL-GHMZBOCLSA-N -1 0 324.337 -0.256 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCC(C)(C)O)C[C@H]1C(=O)[O-] ZINC001606421737 1018831679 /nfs/dbraw/zinc/83/16/79/1018831679.db2.gz KWHXOARCLSMGBQ-BDAKNGLRSA-N -1 0 302.327 -0.337 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2c(C)c(C)n[nH]c2=O)C[C@H]1C(=O)[O-] ZINC001606420900 1018831763 /nfs/dbraw/zinc/83/17/63/1018831763.db2.gz JQQNLJHWWMMUOQ-RKDXNWHRSA-N -1 0 323.305 -0.255 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2nocc2C)C[C@@H]1C(=O)[O-] ZINC001606424650 1018832418 /nfs/dbraw/zinc/83/24/18/1018832418.db2.gz XNZIYPACHWNJRZ-DTWKUNHWSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1C(=O)[O-] ZINC001606425113 1018832621 /nfs/dbraw/zinc/83/26/21/1018832621.db2.gz DWGMOQAIAFXFCD-RKDXNWHRSA-N -1 0 324.289 -0.747 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(=O)n(C)c2)C[C@@H]1C(=O)[O-] ZINC001606424813 1018832992 /nfs/dbraw/zinc/83/29/92/1018832992.db2.gz YBHHFUZZIMFVCR-UWVGGRQHSA-N -1 0 323.305 -0.277 20 0 DBADRM COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)C[C@@H](C)CC(=O)[O-] ZINC001606425181 1018833231 /nfs/dbraw/zinc/83/32/31/1018833231.db2.gz FLVAJTXRTQSVAS-RKDXNWHRSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1C(=O)[O-] ZINC001606423641 1018833350 /nfs/dbraw/zinc/83/33/50/1018833350.db2.gz RJNMSUKVPIMBCN-QGKZMRNZSA-N -1 0 312.322 -0.179 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cnn(C(C)C)c2N)C[C@@H]1C(=O)[O-] ZINC001606425700 1018833367 /nfs/dbraw/zinc/83/33/67/1018833367.db2.gz MSYLRDFGHFLSBN-UWVGGRQHSA-N -1 0 324.337 -0.008 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2nocc2C)C[C@H]1C(=O)[O-] ZINC001606424652 1018833685 /nfs/dbraw/zinc/83/36/85/1018833685.db2.gz XNZIYPACHWNJRZ-RKDXNWHRSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(Cn2ncn(C)c2=S)C[C@@H]1C(=O)[O-] ZINC001606430297 1018834298 /nfs/dbraw/zinc/83/42/98/1018834298.db2.gz ABIFQBRKSISNTL-JGVFFNPUSA-N -1 0 300.340 -0.286 20 0 DBADRM COC(=O)[C@@H]1CSCCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001606428712 1018834748 /nfs/dbraw/zinc/83/47/48/1018834748.db2.gz CZJFVDJOYIFJOI-QMMMGPOBSA-N -1 0 323.392 -0.086 20 0 DBADRM COC(=O)[C@H]1CN(c2nnc(CC(F)F)n2C)C[C@H]1C(=O)[O-] ZINC001606434183 1018836712 /nfs/dbraw/zinc/83/67/12/1018836712.db2.gz ZRRKYYPYAAQSRW-RQJHMYQMSA-N -1 0 318.280 -0.067 20 0 DBADRM COC(=O)[C@@H]1CN(c2nnc(CC(F)F)n2C)C[C@H]1C(=O)[O-] ZINC001606434182 1018837184 /nfs/dbraw/zinc/83/71/84/1018837184.db2.gz ZRRKYYPYAAQSRW-RNFRBKRXSA-N -1 0 318.280 -0.067 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)C2(C(=O)[O-])CCC2)CCO1 ZINC001606431830 1018837413 /nfs/dbraw/zinc/83/74/13/1018837413.db2.gz NANJKMKUDNQZSV-QMMMGPOBSA-N -1 0 307.324 -0.803 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)C[C@H]1CCCOC1)C2 ZINC001606432799 1018837498 /nfs/dbraw/zinc/83/74/98/1018837498.db2.gz NFPAVYAXVIGDDO-GVXVVHGQSA-N -1 0 319.379 -0.224 20 0 DBADRM NS(=O)(=O)C1CN(c2nc(-c3nnn[n-]3)c(Cl)s2)C1 ZINC001606442394 1018837840 /nfs/dbraw/zinc/83/78/40/1018837840.db2.gz JRQZNDGMQHCUKP-UHFFFAOYSA-N -1 0 321.775 -0.546 20 0 DBADRM COC(=O)C[C@H](C)CC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001606439120 1018838117 /nfs/dbraw/zinc/83/81/17/1018838117.db2.gz BOKREKCOIRNSRD-RKDXNWHRSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)C[C@H](C)CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001606439603 1018838594 /nfs/dbraw/zinc/83/85/94/1018838594.db2.gz FSRHBPSNQFDJKU-RKDXNWHRSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cccc(C(=O)OC)n1)C(=O)[O-] ZINC001606442024 1018838911 /nfs/dbraw/zinc/83/89/11/1018838911.db2.gz KIWFLJGAANUAFV-SECBINFHSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1Cc1cnc(C(=O)[O-])cn1 ZINC001606447252 1018840209 /nfs/dbraw/zinc/84/02/09/1018840209.db2.gz WHNRVYCYDLLIMQ-JTQLQIEISA-N -1 0 308.294 -0.962 20 0 DBADRM COC(=O)C[C@]1(NS(=O)(=O)CC(C)(C)C(=O)[O-])CCOC1 ZINC001606446556 1018840322 /nfs/dbraw/zinc/84/03/22/1018840322.db2.gz KZVHJNDCPFUDMR-GFCCVEGCSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)C[C@@H]1CN(S(=O)(=O)CC(C)(C)C(=O)[O-])CCO1 ZINC001606446906 1018840334 /nfs/dbraw/zinc/84/03/34/1018840334.db2.gz GMLMXHJOJUGKFI-SECBINFHSA-N -1 0 323.367 -0.309 20 0 DBADRM COC(=O)C[C@H]1CS(=O)(=O)CCN1CC1(C(=O)[O-])CC1 ZINC001606447538 1018840367 /nfs/dbraw/zinc/84/03/67/1018840367.db2.gz QOKSIGNOHNVYGK-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CCO1 ZINC001606446736 1018840462 /nfs/dbraw/zinc/84/04/62/1018840462.db2.gz FITKOGJMAFUZNQ-DNRKLUKYSA-N -1 0 315.322 -0.345 20 0 DBADRM COC(=O)C[C@H]1CN(CN2C[C@@H](C(=O)[O-])CC2=O)CCO1 ZINC001606447663 1018842120 /nfs/dbraw/zinc/84/21/20/1018842120.db2.gz WHMGKOHMVJQGCW-UWVGGRQHSA-N -1 0 300.311 -0.859 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001606453334 1018842465 /nfs/dbraw/zinc/84/24/65/1018842465.db2.gz VQXFSMKCFQWBDE-UHFFFAOYSA-N -1 0 314.338 -0.231 20 0 DBADRM COC(=O)CCNC(=O)c1cccc(C(=O)NCCC(=O)[O-])n1 ZINC001606455224 1018842618 /nfs/dbraw/zinc/84/26/18/1018842618.db2.gz OTBRYGDKURRHKZ-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM COC(=O)C[C@@H]1CSCCN1[C@@H](C)C(=O)NCC(=O)[O-] ZINC001606447667 1018842737 /nfs/dbraw/zinc/84/27/37/1018842737.db2.gz WHYIXSDKKXDVLR-DTWKUNHWSA-N -1 0 304.368 -0.444 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H](C)[C@H]1CCC(=O)N1)C(=O)[O-] ZINC001606457827 1018843403 /nfs/dbraw/zinc/84/34/03/1018843403.db2.gz AWVWVVGXVZENST-IWSPIJDZSA-N -1 0 300.311 -0.576 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)c1cncc(C(=O)[O-])c1 ZINC001606455355 1018843940 /nfs/dbraw/zinc/84/39/40/1018843940.db2.gz QPXROTCSYFIMPG-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CCNC(=O)CC1)C(=O)[O-] ZINC001606458991 1018843968 /nfs/dbraw/zinc/84/39/68/1018843968.db2.gz XMSHMFYXNBZJBP-RKDXNWHRSA-N -1 0 300.311 -0.575 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(CO)cc1OC ZINC001606467934 1018844689 /nfs/dbraw/zinc/84/46/89/1018844689.db2.gz HDBWMQCBCKQMDR-UHFFFAOYSA-N -1 0 311.290 -0.113 20 0 DBADRM COC(=O)COCC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001606470822 1018845889 /nfs/dbraw/zinc/84/58/89/1018845889.db2.gz JHDCPSDDFDYZNR-UWVGGRQHSA-N -1 0 303.311 -0.438 20 0 DBADRM COC(=O)CN(Cn1nc(C(=O)OC)cc1C(=O)[O-])C1CC1 ZINC001606471553 1018846400 /nfs/dbraw/zinc/84/64/00/1018846400.db2.gz JSESOQYSSHKSGF-UHFFFAOYSA-N -1 0 311.294 -0.037 20 0 DBADRM COC(=O)Cn1cc(CN2CC(F)(F)C[C@H]2C(=O)[O-])nn1 ZINC001606484472 1018846487 /nfs/dbraw/zinc/84/64/87/1018846487.db2.gz QBJYVOBLBSEWIZ-QMMMGPOBSA-N -1 0 304.253 -0.255 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCc3nnnn3CC2)nc1 ZINC001606472763 1018846852 /nfs/dbraw/zinc/84/68/52/1018846852.db2.gz LOLJCHMGMYJMJD-SECBINFHSA-N -1 0 302.294 -0.099 20 0 DBADRM COC(=O)CN(Cn1nc(C(=O)[O-])ccc1=O)CC(F)(F)F ZINC001606471988 1018846873 /nfs/dbraw/zinc/84/68/73/1018846873.db2.gz TYSXIIOGUMLQKL-UHFFFAOYSA-N -1 0 323.227 -0.064 20 0 DBADRM COC(=O)CSCCC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001606474493 1018847037 /nfs/dbraw/zinc/84/70/37/1018847037.db2.gz BQROZSYDERKVCX-SECBINFHSA-N -1 0 305.352 -0.015 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN(c3nc[nH]n3)CC2)cn1 ZINC001606471875 1018847095 /nfs/dbraw/zinc/84/70/95/1018847095.db2.gz YMJRUQWJNRGQRU-UHFFFAOYSA-N -1 0 302.294 -0.140 20 0 DBADRM COC(=O)COCCNS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001606474068 1018847208 /nfs/dbraw/zinc/84/72/08/1018847208.db2.gz OEHSKQJYOKKAPF-UHFFFAOYSA-N -1 0 307.280 -0.554 20 0 DBADRM COC(=O)C[C@@H](OC(=O)[C@@H](C)Sc1nncn1C)C(=O)[O-] ZINC001606476597 1018847333 /nfs/dbraw/zinc/84/73/33/1018847333.db2.gz JJPNMFRIQUINKO-RNFRBKRXSA-N -1 0 317.323 -0.145 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cn1 ZINC001606471628 1018847433 /nfs/dbraw/zinc/84/74/33/1018847433.db2.gz IGWJZVCPTVUKMQ-AOOOYVTPSA-N -1 0 310.331 -0.104 20 0 DBADRM COC(=O)NCCCC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001606494530 1018847920 /nfs/dbraw/zinc/84/79/20/1018847920.db2.gz CXXUKROIFPWHAQ-DTWKUNHWSA-N -1 0 316.310 -0.545 20 0 DBADRM O=C(C=Cc1ccncn1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001606487128 1018848021 /nfs/dbraw/zinc/84/80/21/1018848021.db2.gz GUFAUPWKIUZQLY-UPHRSURJSA-N -1 0 312.297 -0.922 20 0 DBADRM COC(=O)NC1CN(C(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001606493289 1018848144 /nfs/dbraw/zinc/84/81/44/1018848144.db2.gz APVPTCDYUJYZSB-UHFFFAOYSA-N -1 0 313.266 -0.544 20 0 DBADRM COC(=O)N1CCC(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC001606490650 1018848173 /nfs/dbraw/zinc/84/81/73/1018848173.db2.gz RYBXWBOXAHTFFX-ZJUUUORDSA-N -1 0 300.311 -0.034 20 0 DBADRM COC(=O)NCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606494766 1018848263 /nfs/dbraw/zinc/84/82/63/1018848263.db2.gz LRDFUYBXQAOMAU-UHFFFAOYSA-N -1 0 310.266 -0.810 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC001606496370 1018848304 /nfs/dbraw/zinc/84/83/04/1018848304.db2.gz YTFRHZJKOUIWHT-XPUUQOCRSA-N -1 0 301.324 -0.001 20 0 DBADRM O=C(CC1CC1)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001606493056 1018848316 /nfs/dbraw/zinc/84/83/16/1018848316.db2.gz FDTJECJJHADREZ-VIFPVBQESA-N -1 0 318.341 -0.654 20 0 DBADRM COC(=O)NCCCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001606494499 1018848685 /nfs/dbraw/zinc/84/86/85/1018848685.db2.gz BNQKDEDMPOLJNC-SECBINFHSA-N -1 0 315.326 -0.686 20 0 DBADRM COC(=O)N1CCC(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001606490670 1018848943 /nfs/dbraw/zinc/84/89/43/1018848943.db2.gz SNGFPKLNYHBFCR-VHSXEESVSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C[C@H]1C ZINC001606509767 1018849409 /nfs/dbraw/zinc/84/94/09/1018849409.db2.gz LXFYMEPFCYXPGQ-MWLCHTKSSA-N -1 0 322.317 -0.186 20 0 DBADRM COC(=O)[C@@H]1CC(F)(F)CN1Cc1cn(CC(=O)[O-])nn1 ZINC001606507058 1018849520 /nfs/dbraw/zinc/84/95/20/1018849520.db2.gz WEWYDMLDCCAXAW-QMMMGPOBSA-N -1 0 304.253 -0.255 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606506809 1018849780 /nfs/dbraw/zinc/84/97/80/1018849780.db2.gz MPKMPDIGXRAMBD-LPEHRKFASA-N -1 0 322.321 -0.051 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001606501929 1018850112 /nfs/dbraw/zinc/85/01/12/1018850112.db2.gz VDZFJWIHYMKASP-HRDYMLBCSA-N -1 0 300.311 -0.576 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CCSC[C@H]2C(=O)[O-])C1 ZINC001606519221 1018851598 /nfs/dbraw/zinc/85/15/98/1018851598.db2.gz CKCROPFCOHGGNU-YIZRAAEISA-N -1 0 323.392 -0.230 20 0 DBADRM COC(=O)[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001606511497 1018851651 /nfs/dbraw/zinc/85/16/51/1018851651.db2.gz MUVHKOBFLPNCQZ-YUMQZZPRSA-N -1 0 309.315 -0.234 20 0 DBADRM COC(=O)[C@H](C)NC(=O)C[C@@H](C)CC(=O)N[C@@H](C)C(=O)[O-] ZINC001606516039 1018851800 /nfs/dbraw/zinc/85/18/00/1018851800.db2.gz OWAUICPCFACEFR-CIUDSAMLSA-N -1 0 302.327 -0.330 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001606514872 1018851955 /nfs/dbraw/zinc/85/19/55/1018851955.db2.gz RQTRMINGUWBQKK-LDYMZIIASA-N -1 0 311.294 -0.724 20 0 DBADRM COC(=O)c1cc(C(=O)OC)n(CN(CC(=O)[O-])C2CC2)n1 ZINC001606537653 1018852474 /nfs/dbraw/zinc/85/24/74/1018852474.db2.gz PRIOANYOSAXEDQ-UHFFFAOYSA-N -1 0 311.294 -0.037 20 0 DBADRM COC(=O)[C@]12CCC[C@H]1CN(C(=O)Cn1cc(C(=O)[O-])nn1)C2 ZINC001606520534 1018852517 /nfs/dbraw/zinc/85/25/17/1018852517.db2.gz DXMFVWFEVJTDTQ-XPTSAGLGSA-N -1 0 322.321 -0.222 20 0 DBADRM O=C([O-])C1(COC(=O)[C@H]2CCS(=O)(=O)N2)CCOCC1 ZINC001606547619 1018854134 /nfs/dbraw/zinc/85/41/34/1018854134.db2.gz PZDUOFAZANZBHX-MRVPVSSYSA-N -1 0 307.324 -0.897 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN2C[C@@H]3C[C@H]2C[S@]3=O)n1 ZINC001606536932 1018852607 /nfs/dbraw/zinc/85/26/07/1018852607.db2.gz QOXLOIIZFSGUGB-IQFKYQIUSA-N -1 0 313.335 -0.469 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])on1 ZINC001606533711 1018852874 /nfs/dbraw/zinc/85/28/74/1018852874.db2.gz XVNZGMWDTZPZKI-ZETCQYMHSA-N -1 0 308.250 -0.390 20 0 DBADRM COC(=O)c1[nH]cc(C(=O)[O-])c1NC(=O)[C@H](C)S(C)(=O)=O ZINC001606522828 1018853088 /nfs/dbraw/zinc/85/30/88/1018853088.db2.gz UQOLUGCSDKTMPH-YFKPBYRVSA-N -1 0 318.307 -0.129 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN1C[C@@H]2C[C@H]1C[S@]2=O ZINC001606537739 1018853137 /nfs/dbraw/zinc/85/31/37/1018853137.db2.gz SABQCTKHJYKQSI-IQFKYQIUSA-N -1 0 313.335 -0.469 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCc2nnnn2CC2CC2)cn1 ZINC001606537268 1018853270 /nfs/dbraw/zinc/85/32/70/1018853270.db2.gz HLQGMPABQZQPGB-UHFFFAOYSA-N -1 0 303.282 -0.499 20 0 DBADRM O=C([O-])[C@@H](C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1)C1CCCC1 ZINC001606564377 1018854909 /nfs/dbraw/zinc/85/49/09/1018854909.db2.gz XGNQABVADSGEGJ-NQBHXWOUSA-N -1 0 310.350 -0.007 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2cnsn2)c1[O-] ZINC001501709059 1018855664 /nfs/dbraw/zinc/85/56/64/1018855664.db2.gz CLYUNKAFZMPIGI-NSCUHMNNSA-N -1 0 322.350 -0.009 20 0 DBADRM O=C([O-])C1(C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)CCOCC1 ZINC001606560506 1018855642 /nfs/dbraw/zinc/85/56/42/1018855642.db2.gz WGXSCAUDHPFIHR-WDEREUQCSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C(CN1CCNC(=O)C1)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001606563753 1018855703 /nfs/dbraw/zinc/85/57/03/1018855703.db2.gz HHBMUUZEMDPWAO-QWHCGFSZSA-N -1 0 317.345 -0.152 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)CC=CCC1 ZINC001606568946 1018856048 /nfs/dbraw/zinc/85/60/48/1018856048.db2.gz DFBNUBQZEMRSKD-BMIGLBTASA-N -1 0 308.334 -0.493 20 0 DBADRM O=C(CO)Nc1c(-c2nnn[n-]2)nnn1Cc1ccccc1 ZINC001606560175 1018856301 /nfs/dbraw/zinc/85/63/01/1018856301.db2.gz WBUQRKHLYSIMGZ-UHFFFAOYSA-N -1 0 300.282 -0.563 20 0 DBADRM COC(=O)c1ccc(CC(=O)NC2(C(=O)[O-])CC(CO)C2)cn1 ZINC001606587026 1018856533 /nfs/dbraw/zinc/85/65/33/1018856533.db2.gz UTUIGHOASUFZRI-UHFFFAOYSA-N -1 0 322.317 -0.247 20 0 DBADRM O=C([O-])c1ccccc1OCCOC(=O)C[C@@H]1NC(=O)NC1=O ZINC001606569635 1018856720 /nfs/dbraw/zinc/85/67/20/1018856720.db2.gz NEOKOBNSBGBAQD-VIFPVBQESA-N -1 0 322.273 -0.095 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)cc1)N[C@@H]1COCCC1=O ZINC001606591796 1018856819 /nfs/dbraw/zinc/85/68/19/1018856819.db2.gz FJROQRDKFGFKEA-LLVKDONJSA-N -1 0 301.306 -0.117 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)nc1)N1CCSC[C@@H]1CO ZINC001606594194 1018856908 /nfs/dbraw/zinc/85/69/08/1018856908.db2.gz FTAKQUWIUCPLRZ-JTQLQIEISA-N -1 0 320.378 -0.260 20 0 DBADRM COC(=O)c1ccc(COC(=O)Cn2cc(C(=O)[O-])nn2)nc1 ZINC001606590062 1018857634 /nfs/dbraw/zinc/85/76/34/1018857634.db2.gz USACYBCRKQTFJI-UHFFFAOYSA-N -1 0 320.261 -0.099 20 0 DBADRM COC(=O)c1ccc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)nc1 ZINC001606595476 1018858516 /nfs/dbraw/zinc/85/85/16/1018858516.db2.gz IZVIPOMRDLHYCF-ZDUSSCGKSA-N -1 0 309.278 -0.079 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN2CCOC[C@@H]2C(=O)[O-])n1 ZINC001606614391 1018858302 /nfs/dbraw/zinc/85/83/02/1018858302.db2.gz QSIXOZPNRXTCPH-SNVBAGLBSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)c1cccc(COC(=O)Cn2cc(C(=O)[O-])nn2)n1 ZINC001606616740 1018859737 /nfs/dbraw/zinc/85/97/37/1018859737.db2.gz PJJFEWQUPLMXPE-UHFFFAOYSA-N -1 0 320.261 -0.099 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCO[C@@H]1CCCCO1 ZINC001606620387 1018860102 /nfs/dbraw/zinc/86/01/02/1018860102.db2.gz KMRDHJPIEYFKIF-SNVBAGLBSA-N -1 0 322.329 -0.882 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC001606622040 1018860718 /nfs/dbraw/zinc/86/07/18/1018860718.db2.gz LVWAIHDHLBUIGG-VIFPVBQESA-N -1 0 311.294 -0.628 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCCCC[C@@H]1CCO ZINC001606620679 1018860725 /nfs/dbraw/zinc/86/07/25/1018860725.db2.gz MLJWWHGEAUDXDC-SNVBAGLBSA-N -1 0 320.357 -0.388 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC1CCC2(COC2)CC1 ZINC001606620767 1018860833 /nfs/dbraw/zinc/86/08/33/1018860833.db2.gz PBRHDKXUZOOXQL-UHFFFAOYSA-N -1 0 318.341 -0.466 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1nccc2cc[nH]c21 ZINC001606623470 1018860889 /nfs/dbraw/zinc/86/08/89/1018860889.db2.gz MFMNPSMKMVGOCA-UHFFFAOYSA-N -1 0 310.281 -0.027 20 0 DBADRM COC(=O)c1cn(CC(=O)NC2(CC(=O)[O-])CCCC2)nn1 ZINC001606623339 1018861025 /nfs/dbraw/zinc/86/10/25/1018861025.db2.gz VIXRCDGNIKGYAE-UHFFFAOYSA-N -1 0 310.310 -0.032 20 0 DBADRM COC(=O)c1cn([C@@H]2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])C2)nn1 ZINC001606622770 1018861217 /nfs/dbraw/zinc/86/12/17/1018861217.db2.gz CLPWLTAHCXMVKL-KXUCPTDWSA-N -1 0 322.321 -0.051 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001606620211 1018861426 /nfs/dbraw/zinc/86/14/26/1018861426.db2.gz CQEWXEODNIKEGQ-ZJUUUORDSA-N -1 0 318.341 -0.657 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCCCC[C@H]1CCO ZINC001606620677 1018861549 /nfs/dbraw/zinc/86/15/49/1018861549.db2.gz MLJWWHGEAUDXDC-JTQLQIEISA-N -1 0 320.357 -0.388 20 0 DBADRM COC(=O)c1cn(CCNC(=O)c2ccc(C(=O)[O-])[nH]2)nn1 ZINC001606626509 1018861850 /nfs/dbraw/zinc/86/18/50/1018861850.db2.gz ZSSKKAWXDBDBAI-UHFFFAOYSA-N -1 0 307.266 -0.479 20 0 DBADRM COC(=O)c1cnn(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC001606629744 1018862104 /nfs/dbraw/zinc/86/21/04/1018862104.db2.gz QASHRHXIEDEQLW-SNVBAGLBSA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)c1cncc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c1 ZINC001606627758 1018862224 /nfs/dbraw/zinc/86/22/24/1018862224.db2.gz AKMKOZGSDZFNMQ-MNOVXSKESA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)c1cn(CCNC(=O)c2ccc(C(=O)[O-])n2C)nn1 ZINC001606625760 1018862462 /nfs/dbraw/zinc/86/24/62/1018862462.db2.gz OJIJWTRRGWSDKG-UHFFFAOYSA-N -1 0 321.293 -0.469 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CCSC[C@@H]2C(=O)[O-])cn1 ZINC001606625070 1018862612 /nfs/dbraw/zinc/86/26/12/1018862612.db2.gz HAWCWWPRBVUYCT-SECBINFHSA-N -1 0 311.319 -0.095 20 0 DBADRM COC(=O)c1cn(CC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)nn1 ZINC001606626523 1018862641 /nfs/dbraw/zinc/86/26/41/1018862641.db2.gz ZXCIEWOSIPCDKA-KYXWUPHJSA-N -1 0 322.321 -0.320 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NCCCCC(=O)[O-] ZINC001606625505 1018862650 /nfs/dbraw/zinc/86/26/50/1018862650.db2.gz KUGZHUXUHKJQSH-UHFFFAOYSA-N -1 0 305.312 -0.271 20 0 DBADRM COC(=O)c1csc(CN2[C@H](C(=O)[O-])CCS2(=O)=O)n1 ZINC001606631022 1018862886 /nfs/dbraw/zinc/86/28/86/1018862886.db2.gz NPHVETWUPPNLNF-ZETCQYMHSA-N -1 0 320.348 -0.082 20 0 DBADRM CO[C@H](C)C(=O)N1[C@@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-] ZINC001606659611 1018863485 /nfs/dbraw/zinc/86/34/85/1018863485.db2.gz PPNIOVXYKLEBNJ-IWSPIJDZSA-N -1 0 304.368 -0.098 20 0 DBADRM CO[C@@H](C)CN(C)C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001606661093 1018863979 /nfs/dbraw/zinc/86/39/79/1018863979.db2.gz IVSIKXVNONVFPV-VHSXEESVSA-N -1 0 302.327 -0.818 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@H]1COCCN1c1ncc(C(=O)[O-])cn1 ZINC001606660153 1018864247 /nfs/dbraw/zinc/86/42/47/1018864247.db2.gz WVESISHCEPQATJ-ONGXEEELSA-N -1 0 324.337 -0.469 20 0 DBADRM COC(CN(CCC(=O)[O-])S(=O)(=O)Cc1ccno1)OC ZINC001606674779 1018865921 /nfs/dbraw/zinc/86/59/21/1018865921.db2.gz RFKZAZQGNPAREB-UHFFFAOYSA-N -1 0 322.339 -0.100 20 0 DBADRM CO[C@@H](CNS(=O)(=O)C1(C(=O)[O-])CCC1)[C@@H]1CCOC1 ZINC001606679242 1018865943 /nfs/dbraw/zinc/86/59/43/1018865943.db2.gz AYOPIOKLAIVAEW-ZJUUUORDSA-N -1 0 307.368 -0.035 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CCn2cccn2)C1 ZINC001606690833 1018866823 /nfs/dbraw/zinc/86/68/23/1018866823.db2.gz FBALYVTZDCJQOQ-AWEZNQCLSA-N -1 0 324.337 -0.956 20 0 DBADRM COC1(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)CS(=O)(=O)C1 ZINC001606687065 1018866940 /nfs/dbraw/zinc/86/69/40/1018866940.db2.gz ACKWFRCIZFAUNK-LLVKDONJSA-N -1 0 305.352 -0.487 20 0 DBADRM COC1(C(=O)N[C@H](C(=O)[O-])c2cccnc2)CS(=O)(=O)C1 ZINC001606690575 1018867513 /nfs/dbraw/zinc/86/75/13/1018867513.db2.gz XPMQJCMYOJBWFS-VIFPVBQESA-N -1 0 314.319 -0.863 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(CC(=O)N=[S@@](C)(=O)N(C)C)C1 ZINC001606704447 1018869657 /nfs/dbraw/zinc/86/96/57/1018869657.db2.gz ZDJNGXNCYPIQRA-BIBXISHDSA-N -1 0 307.372 -0.737 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)C1 ZINC001606695637 1018868490 /nfs/dbraw/zinc/86/84/90/1018868490.db2.gz FKLOIKKWIAAYKA-AWEZNQCLSA-N -1 0 323.305 -0.974 20 0 DBADRM COC1(C(=O)Nc2cccc(C(=O)[O-])n2)CS(=O)(=O)C1 ZINC001606692367 1018868496 /nfs/dbraw/zinc/86/84/96/1018868496.db2.gz WPMARFPXPLCNON-UHFFFAOYSA-N -1 0 300.292 -0.468 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001606692295 1018868568 /nfs/dbraw/zinc/86/85/68/1018868568.db2.gz VPBVNFJQLRWSTI-HFBDOXOYSA-N -1 0 310.350 -0.197 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H](C)c2cccnc2)C1 ZINC001606692594 1018868597 /nfs/dbraw/zinc/86/85/97/1018868597.db2.gz YVOMMZVPJNOFOZ-BONVTDFDSA-N -1 0 321.333 -0.039 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2ccc(C)o2)C1 ZINC001606696651 1018868696 /nfs/dbraw/zinc/86/86/96/1018868696.db2.gz MEYAIQUQPBBWFR-AWEZNQCLSA-N -1 0 310.306 -0.094 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCC[C@@H]2CC(=O)N(C)C2)C1 ZINC001606698298 1018869350 /nfs/dbraw/zinc/86/93/50/1018869350.db2.gz HTAZMZMBAXRRQX-QMTHXVAHSA-N -1 0 313.354 -0.260 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(CC(=O)N=[S@](C)(=O)N(C)C)C1 ZINC001606704453 1018869505 /nfs/dbraw/zinc/86/95/05/1018869505.db2.gz ZDJNGXNCYPIQRA-YBTHPKLGSA-N -1 0 307.372 -0.737 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001606700862 1018870287 /nfs/dbraw/zinc/87/02/87/1018870287.db2.gz SUCRPDTWEFTYBU-HNNXBMFYSA-N -1 0 322.317 -0.134 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)C1 ZINC001606698524 1018870444 /nfs/dbraw/zinc/87/04/44/1018870444.db2.gz WVQXRTYVBMTAJR-AMIZOPFISA-N -1 0 313.310 -0.981 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccnc3c2nnn3C)C1 ZINC001606701033 1018870615 /nfs/dbraw/zinc/87/06/15/1018870615.db2.gz WCMIZZSOYZBVPF-ZDUSSCGKSA-N -1 0 305.294 -0.321 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(CC(=O)N=[S@@](C)(=O)N(C)C)C1 ZINC001606704451 1018870634 /nfs/dbraw/zinc/87/06/34/1018870634.db2.gz ZDJNGXNCYPIQRA-PRWKNARSSA-N -1 0 307.372 -0.737 20 0 DBADRM COC1(CNC(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)CCC1 ZINC001606714215 1018870915 /nfs/dbraw/zinc/87/09/15/1018870915.db2.gz HMLFUIJCXGQSDV-CQSZACIVSA-N -1 0 314.338 -0.626 20 0 DBADRM COC1(C(=O)O[C@@H]2CCCC[C@@H]2C(=O)[O-])CS(=O)(=O)C1 ZINC001606705558 1018870936 /nfs/dbraw/zinc/87/09/36/1018870936.db2.gz CTSNLPYTFSIMTL-DTWKUNHWSA-N -1 0 306.336 -0.013 20 0 DBADRM COC1([C@@H](C(=O)[O-])N(C)CC(=O)N2CCOCC2)CCC1 ZINC001606709092 1018871582 /nfs/dbraw/zinc/87/15/82/1018871582.db2.gz VCSPNOBGPYRXJH-GFCCVEGCSA-N -1 0 300.355 -0.201 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(Cc2nnnn2CC(F)(F)F)C1 ZINC001606707100 1018871770 /nfs/dbraw/zinc/87/17/70/1018871770.db2.gz XBCPXCBKXDRDJY-SECBINFHSA-N -1 0 309.248 -0.089 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)NCCCCC(=O)[O-])CCSC1 ZINC001606717126 1018872017 /nfs/dbraw/zinc/87/20/17/1018872017.db2.gz PPHGWROZEOZXSB-CYBMUJFWSA-N -1 0 318.395 -0.004 20 0 DBADRM CO[C@H]1CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001606735583 1018872962 /nfs/dbraw/zinc/87/29/62/1018872962.db2.gz OLQILKGNLXBJJA-CHWFTXMASA-N -1 0 314.338 -0.677 20 0 DBADRM CO[C@@H]1CCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001606740904 1018873294 /nfs/dbraw/zinc/87/32/94/1018873294.db2.gz FOJOZBRZHXCVJM-HBNTYKKESA-N -1 0 319.379 -0.098 20 0 DBADRM CO[C@]1(CO)CCCN(S(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001606719360 1018873632 /nfs/dbraw/zinc/87/36/32/1018873632.db2.gz AXLYIZBZDSOATD-GFCCVEGCSA-N -1 0 307.368 -0.346 20 0 DBADRM CO[C@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)[C@](C)(C(=O)[O-])C1 ZINC001606762859 1018874388 /nfs/dbraw/zinc/87/43/88/1018874388.db2.gz FYQJJZHRBKRUEO-BMIGLBTASA-N -1 0 321.333 -0.186 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001606771910 1018874651 /nfs/dbraw/zinc/87/46/51/1018874651.db2.gz MLAOOGGBJCNKDQ-HNNXBMFYSA-N -1 0 323.349 -0.008 20 0 DBADRM COCC(=O)NC1CCN(C(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001606774352 1018874925 /nfs/dbraw/zinc/87/49/25/1018874925.db2.gz MIIVAHLYRTYOFA-VIFPVBQESA-N -1 0 305.306 -0.654 20 0 DBADRM COCC(=O)NCCC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001606774078 1018875493 /nfs/dbraw/zinc/87/54/93/1018875493.db2.gz DJZMBJSKERUYLX-MNOVXSKESA-N -1 0 316.354 -0.475 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccsc1C(=O)[O-] ZINC001606771995 1018875564 /nfs/dbraw/zinc/87/55/64/1018875564.db2.gz VMSLUXQLAOUJAS-HTQZYQBOSA-N -1 0 319.360 -0.012 20 0 DBADRM COCC(=O)NCC1(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCOCC1 ZINC001606774541 1018875583 /nfs/dbraw/zinc/87/55/83/1018875583.db2.gz RTEDAMBDHURSIK-UWVGGRQHSA-N -1 0 314.338 -0.865 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CNC(=O)N1CCCC1 ZINC001606779132 1018876239 /nfs/dbraw/zinc/87/62/39/1018876239.db2.gz DPWZQRQDYSVIDZ-CYBMUJFWSA-N -1 0 301.343 -0.212 20 0 DBADRM COC[C@](C)(O)c1nnc(N2CC[C@@](OC)(C(=O)[O-])C2)n1C ZINC001606792681 1018877847 /nfs/dbraw/zinc/87/78/47/1018877847.db2.gz ZFEITKNIGIDPRM-STQMWFEESA-N -1 0 314.342 -0.651 20 0 DBADRM COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001606798732 1018878209 /nfs/dbraw/zinc/87/82/09/1018878209.db2.gz SNAMARQUIDFVHY-MJVIPROJSA-N -1 0 316.354 -0.296 20 0 DBADRM COC[C@@](C)(NC(=O)CCN1C(=O)CCNC1=S)C(=O)[O-] ZINC001606787970 1018878231 /nfs/dbraw/zinc/87/82/31/1018878231.db2.gz MWMJQJHJJADCEL-GFCCVEGCSA-N -1 0 317.367 -0.911 20 0 DBADRM O=C(NCCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCNC1=O ZINC001606795170 1018878288 /nfs/dbraw/zinc/87/82/88/1018878288.db2.gz XHHILDDDPKTRGJ-LLVKDONJSA-N -1 0 300.322 -0.339 20 0 DBADRM COC[C@@](C)(O)c1nnc(N2CC[C@@](OC)(C(=O)[O-])C2)n1C ZINC001606792679 1018878694 /nfs/dbraw/zinc/87/86/94/1018878694.db2.gz ZFEITKNIGIDPRM-OLZOCXBDSA-N -1 0 314.342 -0.651 20 0 DBADRM COC[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)C1CC1 ZINC001606804555 1018879235 /nfs/dbraw/zinc/87/92/35/1018879235.db2.gz BRDMVDYRUXYBKX-BQVMBELUSA-N -1 0 310.350 -0.103 20 0 DBADRM COC[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])nc1)OC ZINC001606800159 1018879290 /nfs/dbraw/zinc/87/92/90/1018879290.db2.gz DQDDROZMLLBYLF-QMMMGPOBSA-N -1 0 304.324 -0.281 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(-c2nn[nH]n2)cc1F ZINC001606801679 1018879347 /nfs/dbraw/zinc/87/93/47/1018879347.db2.gz CNGNWODJIICXIY-UHFFFAOYSA-N -1 0 319.256 -0.345 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NC[C@H]1CCC=CO1 ZINC001606802522 1018879693 /nfs/dbraw/zinc/87/96/93/1018879693.db2.gz IPZSLHRWJYJUMH-SECBINFHSA-N -1 0 319.329 -0.550 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1CCC=CO1 ZINC001606802528 1018879717 /nfs/dbraw/zinc/87/97/17/1018879717.db2.gz IPZSLHRWJYJUMH-VIFPVBQESA-N -1 0 319.329 -0.550 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccc2[nH]cnc2c1 ZINC001606802303 1018880420 /nfs/dbraw/zinc/88/04/20/1018880420.db2.gz LBXCJQWYGWQIEB-UHFFFAOYSA-N -1 0 324.308 -0.236 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCCSC1 ZINC001606802491 1018880436 /nfs/dbraw/zinc/88/04/36/1018880436.db2.gz IIIFMZDJRDJLTN-MRVPVSSYSA-N -1 0 323.386 -0.347 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)C1Cc2ccccc2C1 ZINC001606803572 1018880549 /nfs/dbraw/zinc/88/05/49/1018880549.db2.gz ZJXCFGUXEFFPII-UHFFFAOYSA-N -1 0 324.348 -0.011 20 0 DBADRM COC[C@H](NC(=O)c1cnc2c(c1)NC(=O)CN2C)C(=O)[O-] ZINC001606812492 1018881232 /nfs/dbraw/zinc/88/12/32/1018881232.db2.gz GXDIEQMMZRHKBO-VIFPVBQESA-N -1 0 308.294 -0.701 20 0 DBADRM O=C(NC[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001606810450 1018881339 /nfs/dbraw/zinc/88/13/39/1018881339.db2.gz MZMRDWGRBFIPCT-WAAGHKOSSA-N -1 0 314.353 -0.205 20 0 DBADRM COC[C@H](NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C(C)C ZINC001606805440 1018881421 /nfs/dbraw/zinc/88/14/21/1018881421.db2.gz NWDUKLPKGAVNLN-VIFPVBQESA-N -1 0 312.326 -0.156 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)[O-] ZINC001606806175 1018881697 /nfs/dbraw/zinc/88/16/97/1018881697.db2.gz ITFSAWNVPUYLSQ-HTQZYQBOSA-N -1 0 314.260 -0.535 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)[C@@H]1CCCO1 ZINC001606816272 1018881862 /nfs/dbraw/zinc/88/18/62/1018881862.db2.gz UGKMSFOCICMYKZ-BDAKNGLRSA-N -1 0 319.339 -0.420 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-] ZINC001606806320 1018881878 /nfs/dbraw/zinc/88/18/78/1018881878.db2.gz NIXLQXSKBMGUJN-PSASIEDQSA-N -1 0 323.367 -0.816 20 0 DBADRM COCCN([C@H](C)C(N)=O)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001606878580 1018890941 /nfs/dbraw/zinc/89/09/41/1018890941.db2.gz BJYUCIYAIKNFLG-MRVPVSSYSA-N -1 0 310.372 -0.751 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CCN=C2C1=NNN2C ZINC001606829929 1018883970 /nfs/dbraw/zinc/88/39/70/1018883970.db2.gz DPYKAFAYNGVDNS-YMTOWFKASA-N -1 0 323.353 -0.697 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1Cc1cn(CC(=O)OC)nn1 ZINC001606834248 1018884187 /nfs/dbraw/zinc/88/41/87/1018884187.db2.gz MPFMIFIDEMXBPY-ZDUSSCGKSA-N -1 0 312.326 -0.483 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CCCCNC(N)=O ZINC001606829717 1018884504 /nfs/dbraw/zinc/88/45/04/1018884504.db2.gz VQEBQCFPHQYYSK-ZDUSSCGKSA-N -1 0 301.343 -0.083 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H](O)Cc1cnn(C)c1 ZINC001606829974 1018884925 /nfs/dbraw/zinc/88/49/25/1018884925.db2.gz FVNSWFDHZNZUBX-BXUZGUMPSA-N -1 0 311.338 -0.584 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1c1nnnn1C[C@@H]1CCCO1 ZINC001606833815 1018885034 /nfs/dbraw/zinc/88/50/34/1018885034.db2.gz ATCGBHHZAILOBA-GWCFXTLKSA-N -1 0 311.342 -0.078 20 0 DBADRM CCCCN1CCOC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001501841717 1018885278 /nfs/dbraw/zinc/88/52/78/1018885278.db2.gz MLXHENXZQVIHEZ-SNVBAGLBSA-N -1 0 313.358 -0.694 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCCN1C(=O)[C@@H]1CSCC(=O)N1 ZINC001606826834 1018885308 /nfs/dbraw/zinc/88/53/08/1018885308.db2.gz AEWGTBHFJVRLQL-TVQRCGJNSA-N -1 0 316.379 -0.300 20 0 DBADRM COC[C@H]1CCCN1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606846403 1018885779 /nfs/dbraw/zinc/88/57/79/1018885779.db2.gz CVGZZZBZLYMHQB-GHMZBOCLSA-N -1 0 313.354 -0.548 20 0 DBADRM COC[C@@]1(C)CC(=O)N(CN2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC001606834999 1018886695 /nfs/dbraw/zinc/88/66/95/1018886695.db2.gz SURGOQSLSPKYOB-AWEZNQCLSA-N -1 0 323.353 -0.325 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])no2)C[C@H](C)O1 ZINC001606848165 1018887615 /nfs/dbraw/zinc/88/76/15/1018887615.db2.gz MHJURMWODIIBLM-YUMQZZPRSA-N -1 0 320.323 -0.203 20 0 DBADRM COCC[C@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)C(=O)[O-] ZINC001606855299 1018887628 /nfs/dbraw/zinc/88/76/28/1018887628.db2.gz TWVWTSRMMODWIE-VIFPVBQESA-N -1 0 323.367 -0.814 20 0 DBADRM COC[C@H]1CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C[C@H](C)O1 ZINC001606848433 1018887799 /nfs/dbraw/zinc/88/77/99/1018887799.db2.gz PEYJNGHDHVLCBS-LOWVWBTDSA-N -1 0 302.371 -0.053 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CCO1 ZINC001606847988 1018888098 /nfs/dbraw/zinc/88/80/98/1018888098.db2.gz LSZIQGKZFCJIPZ-GMTAPVOTSA-N -1 0 314.338 -0.961 20 0 DBADRM COCC[C@H](NC(=O)CCN1C(=O)C(C)=C(C)C1=O)C(=O)[O-] ZINC001606854689 1018888101 /nfs/dbraw/zinc/88/81/01/1018888101.db2.gz CQQHUTNLXSZYIS-JTQLQIEISA-N -1 0 312.322 -0.312 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)CCO1 ZINC001606848461 1018888190 /nfs/dbraw/zinc/88/81/90/1018888190.db2.gz PUDFGKMZGXVSRK-VQXHTEKXSA-N -1 0 314.338 -0.770 20 0 DBADRM COCC[C@@H](NC(=O)[C@H]1COCCN1CC(F)F)C(=O)[O-] ZINC001606854722 1018888207 /nfs/dbraw/zinc/88/82/07/1018888207.db2.gz DRDSMDZQDWSXLT-RKDXNWHRSA-N -1 0 310.297 -0.442 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])no2)C[C@@H](C)O1 ZINC001606848164 1018888248 /nfs/dbraw/zinc/88/82/48/1018888248.db2.gz MHJURMWODIIBLM-SFYZADRCSA-N -1 0 320.323 -0.203 20 0 DBADRM COCC[C@H]1COCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001606865122 1018888928 /nfs/dbraw/zinc/88/89/28/1018888928.db2.gz UBUSJUXEXFFNGR-NSHDSACASA-N -1 0 324.333 -0.190 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001606920027 1018895651 /nfs/dbraw/zinc/89/56/51/1018895651.db2.gz QQDVXNSGJYQMBX-ZJUUUORDSA-N -1 0 307.368 -0.193 20 0 DBADRM COCC[C@H](NC(=O)c1cccc(-n2cncn2)n1)C(=O)[O-] ZINC001606859951 1018889102 /nfs/dbraw/zinc/88/91/02/1018889102.db2.gz ZVRFRZBPHYRCIP-JTQLQIEISA-N -1 0 305.294 -0.118 20 0 DBADRM COCC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001606856411 1018889271 /nfs/dbraw/zinc/88/92/71/1018889271.db2.gz PIKKHLSUCFAQCS-MRVPVSSYSA-N -1 0 304.324 -0.545 20 0 DBADRM COCC[C@@H](NC(=O)c1cc(S(N)(=O)=O)c(C)o1)C(=O)[O-] ZINC001606856860 1018889297 /nfs/dbraw/zinc/88/92/97/1018889297.db2.gz NDPMAIPEMIJMFP-SSDOTTSWSA-N -1 0 320.323 -0.545 20 0 DBADRM COCC[C@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(N)=O ZINC001606858764 1018889312 /nfs/dbraw/zinc/88/93/12/1018889312.db2.gz BUIDUEIBRISUBG-VGMNWLOBSA-N -1 0 308.356 -0.951 20 0 DBADRM COCC[C@H]1COCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC001606864320 1018889354 /nfs/dbraw/zinc/88/93/54/1018889354.db2.gz AQLDCBMUIWRKAX-JTQLQIEISA-N -1 0 310.372 -0.625 20 0 DBADRM COCC[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)[O-] ZINC001606858829 1018889403 /nfs/dbraw/zinc/88/94/03/1018889403.db2.gz PZGLPKAXGYIXPI-MRVPVSSYSA-N -1 0 310.372 -0.690 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1ccnn1COC)C(=O)[O-] ZINC001606862971 1018889620 /nfs/dbraw/zinc/88/96/20/1018889620.db2.gz MJWUTPINDVDBTQ-QMMMGPOBSA-N -1 0 307.328 -0.745 20 0 DBADRM COCC[C@@H](COC)N1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC001606855543 1018889748 /nfs/dbraw/zinc/88/97/48/1018889748.db2.gz IPANHFUREPLQAX-SGIHWFKDSA-N -1 0 300.311 -0.321 20 0 DBADRM COCC[C@H]1CNCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001606865354 1018889801 /nfs/dbraw/zinc/88/98/01/1018889801.db2.gz YLJQQKXNVYWDSF-VIFPVBQESA-N -1 0 318.351 -0.023 20 0 DBADRM COCCCNC(=O)CN1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001606869466 1018890321 /nfs/dbraw/zinc/89/03/21/1018890321.db2.gz KIGSZZYYOHXRSK-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCCOCC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001606871499 1018890705 /nfs/dbraw/zinc/89/07/05/1018890705.db2.gz MBKWIQZQZSYVHX-GHMZBOCLSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCN([C@@H](C)C(N)=O)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001606878583 1018891301 /nfs/dbraw/zinc/89/13/01/1018891301.db2.gz BJYUCIYAIKNFLG-QMMMGPOBSA-N -1 0 310.372 -0.751 20 0 DBADRM COCCN1C[C@H](C(=O)N(OC)[C@@H](C)CC(=O)[O-])CC1=O ZINC001606893860 1018891629 /nfs/dbraw/zinc/89/16/29/1018891629.db2.gz XNXQTEXAMHNARI-VHSXEESVSA-N -1 0 302.327 -0.266 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001606880906 1018892536 /nfs/dbraw/zinc/89/25/36/1018892536.db2.gz OTJLKARFTJPHIU-VHSXEESVSA-N -1 0 310.372 -0.579 20 0 DBADRM COCCN1C[C@@H](C(=O)N(OC)[C@@H](C)CC(=O)[O-])CC1=O ZINC001606893859 1018892634 /nfs/dbraw/zinc/89/26/34/1018892634.db2.gz XNXQTEXAMHNARI-UWVGGRQHSA-N -1 0 302.327 -0.266 20 0 DBADRM COCCOC[C@@H](C)NC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001606904070 1018893459 /nfs/dbraw/zinc/89/34/59/1018893459.db2.gz YXYVZECTLVIFBV-MNOVXSKESA-N -1 0 316.354 -0.380 20 0 DBADRM COCCOCCCNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001606904093 1018893590 /nfs/dbraw/zinc/89/35/90/1018893590.db2.gz BWXAAXMRUALJQW-GHMZBOCLSA-N -1 0 304.343 -0.172 20 0 DBADRM COCCNc1nc(CC(=O)N[C@](C)(CO)C(=O)[O-])cs1 ZINC001606898455 1018893995 /nfs/dbraw/zinc/89/39/95/1018893995.db2.gz KLXUSGZOXRMOOY-GFCCVEGCSA-N -1 0 317.367 -0.304 20 0 DBADRM COCCn1cc(C(=O)N[C@@H](C(=O)[O-])c2cccnc2)nn1 ZINC001606929053 1018895093 /nfs/dbraw/zinc/89/50/93/1018895093.db2.gz DTOCVFBWYUGVBK-LLVKDONJSA-N -1 0 305.294 -0.125 20 0 DBADRM COCCn1cc(C(=O)N[C@H](C(=O)[O-])c2cccnc2)nn1 ZINC001606929054 1018895117 /nfs/dbraw/zinc/89/51/17/1018895117.db2.gz DTOCVFBWYUGVBK-NSHDSACASA-N -1 0 305.294 -0.125 20 0 DBADRM COCCOCCN1CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC001606904560 1018895386 /nfs/dbraw/zinc/89/53/86/1018895386.db2.gz OJHBSAOTXBHJPT-UHFFFAOYSA-N -1 0 310.354 -0.040 20 0 DBADRM COCCc1nnc(SC[C@@H]2CC(C(=O)[O-])=NO2)n1N ZINC001606923487 1018895833 /nfs/dbraw/zinc/89/58/33/1018895833.db2.gz PHTPRBWLGCLUHJ-LURJTMIESA-N -1 0 301.328 -0.498 20 0 DBADRM COCCn1cc(C(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)[O-])nn1 ZINC001606929557 1018896383 /nfs/dbraw/zinc/89/63/83/1018896383.db2.gz SJCAWDUWJIUAAJ-TVQRCGJNSA-N -1 0 312.326 -0.371 20 0 DBADRM COCCn1cc(NC(=O)Cn2cc(C(=O)[O-])nn2)ccc1=O ZINC001606931409 1018896973 /nfs/dbraw/zinc/89/69/73/1018896973.db2.gz IBUVLWGJIJFSHC-UHFFFAOYSA-N -1 0 321.293 -0.577 20 0 DBADRM COCCn1cc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)ccc1=O ZINC001606929163 1018897099 /nfs/dbraw/zinc/89/70/99/1018897099.db2.gz HKORCOJSIVFROV-HNNXBMFYSA-N -1 0 324.333 -0.142 20 0 DBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001606936766 1018897444 /nfs/dbraw/zinc/89/74/44/1018897444.db2.gz CIPRBCDBRKUKGW-UTLUCORTSA-N -1 0 322.383 -0.608 20 0 DBADRM COCc1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])ncn1 ZINC001606948104 1018898527 /nfs/dbraw/zinc/89/85/27/1018898527.db2.gz ZWMKYGYMWZGFHX-UWVGGRQHSA-N -1 0 322.321 -0.069 20 0 DBADRM COCc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)C(N)=O ZINC001606956517 1018898602 /nfs/dbraw/zinc/89/86/02/1018898602.db2.gz PURGZYYTOUSMEI-SSDOTTSWSA-N -1 0 316.335 -0.317 20 0 DBADRM O=C([O-])COCC(=O)N[C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001606958545 1018899073 /nfs/dbraw/zinc/89/90/73/1018899073.db2.gz XFLJVLYXRYBOJK-LLVKDONJSA-N -1 0 317.305 -0.449 20 0 DBADRM O=C([O-])C1(CNc2cnc(-c3nn[nH]n3)cn2)CCOCC1 ZINC001606957447 1018899170 /nfs/dbraw/zinc/89/91/70/1018899170.db2.gz BSAFGRYZCWHADR-UHFFFAOYSA-N -1 0 305.298 -0.050 20 0 DBADRM COCc1cc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)ncn1 ZINC001606941618 1018899474 /nfs/dbraw/zinc/89/94/74/1018899474.db2.gz LMSQAXIOCODUKB-NWDGAFQWSA-N -1 0 320.349 -0.008 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001606990048 1018900253 /nfs/dbraw/zinc/90/02/53/1018900253.db2.gz JQHPVFKCOGOCOI-QMMMGPOBSA-N -1 0 323.305 -0.152 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001606989929 1018900765 /nfs/dbraw/zinc/90/07/65/1018900765.db2.gz IELBRSRRAZSMLN-UFBFGSQYSA-N -1 0 303.315 -0.720 20 0 DBADRM CON(C)C(=O)[C@@H](C)N1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001606990114 1018900830 /nfs/dbraw/zinc/90/08/30/1018900830.db2.gz MFORRPNEVLHRCK-HRDYMLBCSA-N -1 0 313.310 -0.478 20 0 DBADRM CON(C(=O)Cn1nc2n(c1=O)CCCC2)[C@@H](C)CC(=O)[O-] ZINC001606987514 1018901500 /nfs/dbraw/zinc/90/15/00/1018901500.db2.gz SJNMLJKFEJOBLS-VIFPVBQESA-N -1 0 312.326 -0.366 20 0 DBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001607000267 1018905521 /nfs/dbraw/zinc/90/55/21/1018905521.db2.gz YFCPHITUTNTQRM-LNFKQOIKSA-N -1 0 307.368 -0.037 20 0 DBADRM CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001606997873 1018905658 /nfs/dbraw/zinc/90/56/58/1018905658.db2.gz PFADRISDTBPIHV-BDAKNGLRSA-N -1 0 320.342 -0.522 20 0 DBADRM O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001607000440 1018905730 /nfs/dbraw/zinc/90/57/30/1018905730.db2.gz HYTOHIRRZAIFGC-ZCFIWIBFSA-N -1 0 300.286 -0.662 20 0 DBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001606999930 1018905807 /nfs/dbraw/zinc/90/58/07/1018905807.db2.gz MPIZOLLSPPNDBY-RNFRBKRXSA-N -1 0 305.312 -0.892 20 0 DBADRM CO[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)C1 ZINC001606999774 1018906298 /nfs/dbraw/zinc/90/62/98/1018906298.db2.gz DJZPNFCGMLFFBS-SECBINFHSA-N -1 0 310.310 -0.538 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606999124 1018906404 /nfs/dbraw/zinc/90/64/04/1018906404.db2.gz FPMLNYRNJQVWQS-GMTAPVOTSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@@H](C)CNC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001606997595 1018906448 /nfs/dbraw/zinc/90/64/48/1018906448.db2.gz IEFJUAAXMQOSKC-SMDDNHRTSA-N -1 0 315.370 -0.408 20 0 DBADRM O=C([N-]N1CC(=O)NC1=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001607047595 1018923671 /nfs/dbraw/zinc/92/36/71/1018923671.db2.gz ZDDWAVWQMXOCJV-UHFFFAOYSA-N -1 0 322.672 -0.888 20 0 DBADRM O=Cc1cncc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c1 ZINC001607058255 1018927734 /nfs/dbraw/zinc/92/77/34/1018927734.db2.gz VICQTEUHOYKUIO-UHFFFAOYSA-N -1 0 313.281 -0.904 20 0 DBADRM O=CN1CCC[C@@H]1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001607056004 1018933755 /nfs/dbraw/zinc/93/37/55/1018933755.db2.gz HXILLLBXJTUSHG-LLVKDONJSA-N -1 0 302.294 -0.103 20 0 DBADRM O=S(=O)(NCC[C@@H]1CCOC1)c1cccnc1-c1nnn[n-]1 ZINC001607066420 1018936408 /nfs/dbraw/zinc/93/64/08/1018936408.db2.gz UJNMCGHMLZDIAX-SECBINFHSA-N -1 0 324.366 -0.033 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1C[C@@H]2COC[C@@H]2C1 ZINC001607073446 1018943091 /nfs/dbraw/zinc/94/30/91/1018943091.db2.gz DTRQGZJROJLUJS-DTORHVGOSA-N -1 0 322.350 -0.471 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1CC2(C1)CCCO2 ZINC001607074106 1018944748 /nfs/dbraw/zinc/94/47/48/1018944748.db2.gz KMNVYAPVLGSQCH-UHFFFAOYSA-N -1 0 322.350 -0.185 20 0 DBADRM COc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)on1 ZINC001607073132 1018945608 /nfs/dbraw/zinc/94/56/08/1018945608.db2.gz BSCOLJXTQUMCTE-BDAKNGLRSA-N -1 0 323.305 -0.408 20 0 DBADRM O=c1c(-c2nnn[n-]2)cccn1C[C@H]1CCCS(=O)(=O)C1 ZINC001607092475 1018960477 /nfs/dbraw/zinc/96/04/77/1018960477.db2.gz VOQOAFLVFAQCRT-SECBINFHSA-N -1 0 309.351 -0.147 20 0 DBADRM O[C@H]1c2ccccc2OC[C@@H]1Nc1ccnc(-c2nnn[n-]2)n1 ZINC001607098996 1018962805 /nfs/dbraw/zinc/96/28/05/1018962805.db2.gz CAVYRGPWLNYNQY-CABZTGNLSA-N -1 0 311.305 -0.015 20 0 DBADRM COc1cc(OC)nc(C(=O)NC2(C(=O)[O-])CC(CO)C2)n1 ZINC001607186335 1018980323 /nfs/dbraw/zinc/98/03/23/1018980323.db2.gz VNXLJAWABOUHBX-UHFFFAOYSA-N -1 0 311.294 -0.551 20 0 DBADRM COc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1OCCO ZINC001607207015 1018980351 /nfs/dbraw/zinc/98/03/51/1018980351.db2.gz KDVAFYSEXMJSQL-PELKAZGASA-N -1 0 313.306 -0.370 20 0 DBADRM C[S@](=N)(=O)N1CCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC001607363211 1018991702 /nfs/dbraw/zinc/99/17/02/1018991702.db2.gz KQZCFNGWZWLDTM-HXUWFJFHSA-N -1 0 308.360 -0.994 20 0 DBADRM COc1ccc([C@H](NC(=O)[C@@H]2CC[C@H](C(N)=O)O2)C(=O)[O-])cc1 ZINC001607229689 1018981122 /nfs/dbraw/zinc/98/11/22/1018981122.db2.gz QYUBJWFDYUDADB-WOPDTQHZSA-N -1 0 322.317 -0.030 20 0 DBADRM COc1cc(CCC(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])on1 ZINC001607155657 1018981671 /nfs/dbraw/zinc/98/16/71/1018981671.db2.gz VEUWPHNRLKTJAA-VIFPVBQESA-N -1 0 311.294 -0.630 20 0 DBADRM COc1cc(CC(=O)NCC[C@H](O)C(=O)[O-])cc(OC)c1O ZINC001607155238 1018981991 /nfs/dbraw/zinc/98/19/91/1018981991.db2.gz XDPNLJSAKIZKEO-VIFPVBQESA-N -1 0 313.306 -0.096 20 0 DBADRM COc1cc(NC(=O)C(=O)N[C@]2(CC(=O)[O-])CCOC2)ncn1 ZINC001607170902 1018982091 /nfs/dbraw/zinc/98/20/91/1018982091.db2.gz JZLIIXAGMJGTDM-ZDUSSCGKSA-N -1 0 324.293 -0.826 20 0 DBADRM COc1ccc(N2CCN(CC(=O)NCCC(=O)[O-])CC2)nc1 ZINC001607271214 1018983210 /nfs/dbraw/zinc/98/32/10/1018983210.db2.gz VXBFWNKJEFQDSK-UHFFFAOYSA-N -1 0 322.365 -0.197 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)nc1 ZINC001607352766 1018986144 /nfs/dbraw/zinc/98/61/44/1018986144.db2.gz CCLZUYMTSIBUIO-LBPRGKRZSA-N -1 0 312.257 -0.551 20 0 DBADRM COc1cncc(C(=O)NCCNc2ncc(C(=O)[O-])cn2)n1 ZINC001607354038 1018986219 /nfs/dbraw/zinc/98/62/19/1018986219.db2.gz INYGSPSIYBPALF-UHFFFAOYSA-N -1 0 318.293 -0.185 20 0 DBADRM COc1ccnc(N(C)C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1 ZINC001607351110 1018986311 /nfs/dbraw/zinc/98/63/11/1018986311.db2.gz PMJSWQXDMBZXLF-VIFPVBQESA-N -1 0 322.321 -0.229 20 0 DBADRM COc1cn(C)nc1[C@@H](C)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001607352128 1018986543 /nfs/dbraw/zinc/98/65/43/1018986543.db2.gz AORFSIYEPIRPOF-MRVPVSSYSA-N -1 0 320.371 -0.269 20 0 DBADRM COc1cnc(F)c(NC(=O)C(=O)NCCOCC(=O)[O-])c1 ZINC001607353585 1018987083 /nfs/dbraw/zinc/98/70/83/1018987083.db2.gz UNLWOXJSINWCII-UHFFFAOYSA-N -1 0 315.257 -0.615 20 0 DBADRM COc1cccnc1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001607347720 1018987405 /nfs/dbraw/zinc/98/74/05/1018987405.db2.gz DSVUCCKWEXUGSH-VIFPVBQESA-N -1 0 307.306 -0.104 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)nc1 ZINC001607353639 1018987422 /nfs/dbraw/zinc/98/74/22/1018987422.db2.gz XENLABNXBLVJQJ-UHFFFAOYSA-N -1 0 306.278 -0.501 20 0 DBADRM COc1nc(C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)co1 ZINC001607354847 1018987613 /nfs/dbraw/zinc/98/76/13/1018987613.db2.gz FLAXUVBZZXGKOL-DTWKUNHWSA-N -1 0 323.305 -0.408 20 0 DBADRM COc1ccncc1NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001607350746 1018987807 /nfs/dbraw/zinc/98/78/07/1018987807.db2.gz NYOWPXKZQITKDY-DTWKUNHWSA-N -1 0 323.305 -0.677 20 0 DBADRM COc1cncc(NC(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)n1 ZINC001607355504 1018988144 /nfs/dbraw/zinc/98/81/44/1018988144.db2.gz CBRFSRYQCBPAEN-MRVPVSSYSA-N -1 0 306.278 -0.287 20 0 DBADRM COc1ccnc(NCCN(CCO)C(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001607350648 1018988474 /nfs/dbraw/zinc/98/84/74/1018988474.db2.gz BYDLWRVFSXFMCA-UWVGGRQHSA-N -1 0 324.337 -0.561 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001607374032 1018995913 /nfs/dbraw/zinc/99/59/13/1018995913.db2.gz OARIZBNGDVPKLX-BDAKNGLRSA-N -1 0 323.440 -0.357 20 0 DBADRM COc1ncc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])s1 ZINC001607361665 1018990243 /nfs/dbraw/zinc/99/02/43/1018990243.db2.gz ZELXSKHDLHFCAD-SVRRBLITSA-N -1 0 322.364 -0.250 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C=C1CCC1 ZINC001502100861 1018992644 /nfs/dbraw/zinc/99/26/44/1018992644.db2.gz WPSINAZAXRSASY-SSDOTTSWSA-N -1 0 307.310 -0.372 20 0 DBADRM CS(=O)(=O)CCC(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001607369478 1018992896 /nfs/dbraw/zinc/99/28/96/1018992896.db2.gz FABIPDICUNAGRU-UHFFFAOYSA-N -1 0 301.324 -0.099 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])CC1 ZINC001607366755 1018993127 /nfs/dbraw/zinc/99/31/27/1018993127.db2.gz MTUOZKMPROLZFZ-ONGXEEELSA-N -1 0 319.379 -0.362 20 0 DBADRM CS(=O)(=O)Cc1nc(C(=O)N2CCC[C@H]2C(=O)[O-])co1 ZINC001607370717 1018993483 /nfs/dbraw/zinc/99/34/83/1018993483.db2.gz JLUSRYFLZLUQKI-QMMMGPOBSA-N -1 0 302.308 -0.092 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@H](Cc1ccccc1O)C(=O)[O-] ZINC001607370488 1018993921 /nfs/dbraw/zinc/99/39/21/1018993921.db2.gz YODMZVKLCASLFE-SNVBAGLBSA-N -1 0 315.347 -0.061 20 0 DBADRM CS(=O)(=O)CCNC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001607370553 1018993958 /nfs/dbraw/zinc/99/39/58/1018993958.db2.gz OAUKFWMHAWFSCG-UHFFFAOYSA-N -1 0 303.340 -0.478 20 0 DBADRM CS(=O)(=O)[C@H]1CCCCN(Cn2cc(C(=O)[O-])nn2)C1 ZINC001607368218 1018994121 /nfs/dbraw/zinc/99/41/21/1018994121.db2.gz ZBLUHMHTXRRYRM-VIFPVBQESA-N -1 0 302.356 -0.167 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001607367399 1018994461 /nfs/dbraw/zinc/99/44/61/1018994461.db2.gz UCRSUCIOKHBPFK-LLVKDONJSA-N -1 0 315.347 -0.551 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1 ZINC001607372880 1018995630 /nfs/dbraw/zinc/99/56/30/1018995630.db2.gz VLLNHVUDHATKGW-XNWIYYODSA-N -1 0 317.367 -0.461 20 0 DBADRM CS(=O)(=O)NC[C@@H]1COCCN1Cc1cc(C(=O)[O-])co1 ZINC001607373647 1018995681 /nfs/dbraw/zinc/99/56/81/1018995681.db2.gz DOCCALJNUFEEOQ-SNVBAGLBSA-N -1 0 318.351 -0.272 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])on2)C1 ZINC001607374832 1018996377 /nfs/dbraw/zinc/99/63/77/1018996377.db2.gz KISBFPIAPQNPRC-ZETCQYMHSA-N -1 0 317.323 -0.473 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(c2cc(C(=O)[O-])ncn2)C1 ZINC001607374296 1018996827 /nfs/dbraw/zinc/99/68/27/1018996827.db2.gz SGNFRRNLUYFSFL-MRVPVSSYSA-N -1 0 300.340 -0.450 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001607372333 1018996845 /nfs/dbraw/zinc/99/68/45/1018996845.db2.gz XVXSRJABDIZAAD-SECBINFHSA-N -1 0 315.351 -0.133 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=S)NCCCC(=O)[O-])CC1 ZINC001607374875 1018997035 /nfs/dbraw/zinc/99/70/35/1018997035.db2.gz LBHYAKICKCGRQA-UHFFFAOYSA-N -1 0 323.440 -0.261 20 0 DBADRM CS(=O)(=O)NCCNC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001607373758 1018997243 /nfs/dbraw/zinc/99/72/43/1018997243.db2.gz HDVMKVKYTJZMQZ-UHFFFAOYSA-N -1 0 302.312 -0.550 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001607371940 1018997404 /nfs/dbraw/zinc/99/74/04/1018997404.db2.gz LSBRDNMRODZINV-JOYOIKCWSA-N -1 0 320.367 -0.982 20 0 DBADRM CS(=O)(=O)NCCC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001607374386 1018997594 /nfs/dbraw/zinc/99/75/94/1018997594.db2.gz UORUDHCDBFZDDF-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)[O-])CC2)co1 ZINC001607378756 1018998349 /nfs/dbraw/zinc/99/83/49/1018998349.db2.gz NCWPYNNQHXMONY-UHFFFAOYSA-N -1 0 316.335 -0.475 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)co1 ZINC001607378875 1018998640 /nfs/dbraw/zinc/99/86/40/1018998640.db2.gz OQSHUJXJQKZHTG-QMMMGPOBSA-N -1 0 303.292 -0.391 20 0 DBADRM CS(=O)(=O)c1nccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)n1 ZINC001607382983 1018998732 /nfs/dbraw/zinc/99/87/32/1018998732.db2.gz AJSJBRZZUBDHSK-NSHDSACASA-N -1 0 317.298 -0.481 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)o1 ZINC001607379714 1018998794 /nfs/dbraw/zinc/99/87/94/1018998794.db2.gz KCNJOSMZWUJAFN-NSHDSACASA-N -1 0 303.292 -0.655 20 0 DBADRM CS(=O)(=O)c1ccnc(N2CCOC[C@H]2CC(=O)[O-])n1 ZINC001607383296 1018999706 /nfs/dbraw/zinc/99/97/06/1018999706.db2.gz ULHJARPGLNIUSQ-MRVPVSSYSA-N -1 0 301.324 -0.440 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1ccncc1F)C(=O)[O-] ZINC001607376991 1018999971 /nfs/dbraw/zinc/99/99/71/1018999971.db2.gz PPCDZWJCTRNWLW-JOYOIKCWSA-N -1 0 316.310 -0.162 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001607384175 1019000035 /nfs/dbraw/zinc/00/00/35/1019000035.db2.gz BXOJZFUQPUIOAM-LJQANCHMSA-N -1 0 304.349 -0.121 20 0 DBADRM CS(=O)(=O)c1nccc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)n1 ZINC001607383011 1019000166 /nfs/dbraw/zinc/00/01/66/1019000166.db2.gz CKXMMYPJRIUBHW-MRVPVSSYSA-N -1 0 311.319 -0.217 20 0 DBADRM CSCCCCNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001607396924 1019001977 /nfs/dbraw/zinc/00/19/77/1019001977.db2.gz QDRZFIXKPVJWOF-NXEZZACHSA-N -1 0 318.395 -0.460 20 0 DBADRM CS[C@H]1CC[C@H](NC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001607392444 1019002789 /nfs/dbraw/zinc/00/27/89/1019002789.db2.gz XEVMJLDFYRUUGR-YUMQZZPRSA-N -1 0 302.352 -0.955 20 0 DBADRM CSC[C@@H](CCO)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001607395014 1019003418 /nfs/dbraw/zinc/00/34/18/1019003418.db2.gz MICHILLFOGDJET-ZCFIWIBFSA-N -1 0 309.369 -0.500 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001607418503 1019003722 /nfs/dbraw/zinc/00/37/22/1019003722.db2.gz BKALWKIXFAPQSE-WDEREUQCSA-N -1 0 321.381 -0.002 20 0 DBADRM CSCC[C@@H](OC(=O)[C@H]1CCN(C)S1(=O)=O)C(=O)[O-] ZINC001607396926 1019005072 /nfs/dbraw/zinc/00/50/72/1019005072.db2.gz KGAJUUHPPLYODF-HTQZYQBOSA-N -1 0 311.381 -0.230 20 0 DBADRM CS[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001607401140 1019005517 /nfs/dbraw/zinc/00/55/17/1019005517.db2.gz VZRIHNONFSKNBF-RKDXNWHRSA-N -1 0 316.379 -0.565 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H]1COC(=O)N1)Nc1ccnc(C(=O)[O-])n1 ZINC001607419630 1019005755 /nfs/dbraw/zinc/00/57/55/1019005755.db2.gz MRNRBGAWZXYROP-YUMQZZPRSA-N -1 0 323.309 -0.988 20 0 DBADRM CSCc1nc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)n[nH]1 ZINC001607401102 1019005773 /nfs/dbraw/zinc/00/57/73/1019005773.db2.gz VGQLXRCUKUZIKY-RQJHMYQMSA-N -1 0 300.340 -0.084 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001607416442 1019005836 /nfs/dbraw/zinc/00/58/36/1019005836.db2.gz JTCKCSMXNMEIHW-DTWKUNHWSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC001607423919 1019005921 /nfs/dbraw/zinc/00/59/21/1019005921.db2.gz IXSFUWWOLZGNFT-NRUUGDAUSA-N -1 0 306.318 -0.010 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-] ZINC001607424172 1019006351 /nfs/dbraw/zinc/00/63/51/1019006351.db2.gz MZEIJRKBGLCKIZ-PTRXPTGYSA-N -1 0 310.306 -0.422 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cnc2c(c1)NC(=O)CS2)C(=O)[O-] ZINC001607425522 1019007338 /nfs/dbraw/zinc/00/73/38/1019007338.db2.gz MSZVOHREDGHVSP-ANLVUFKYSA-N -1 0 311.319 -0.310 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)C[C@@H](C(=O)[O-])O1 ZINC001607428059 1019007819 /nfs/dbraw/zinc/00/78/19/1019007819.db2.gz HBQMNQQZULHLEH-GCHJQGSQSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001607424246 1019008067 /nfs/dbraw/zinc/00/80/67/1019008067.db2.gz PGYNVXSISSQDAC-WEDXCCLWSA-N -1 0 320.342 -0.788 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC001607424804 1019008330 /nfs/dbraw/zinc/00/83/30/1019008330.db2.gz NCRMIIZEMOLHIB-KRTXAFLBSA-N -1 0 324.289 -0.905 20 0 DBADRM C[C@@H]1CN(C(=O)C[C@H]2C=CS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001607430697 1019008655 /nfs/dbraw/zinc/00/86/55/1019008655.db2.gz SNPSIDUADMVISI-BBBLOLIVSA-N -1 0 303.336 -0.365 20 0 DBADRM C[C@@H]1CN(C(=S)NCCS(C)(=O)=O)C[C@H]1CC(=O)[O-] ZINC001607436567 1019008905 /nfs/dbraw/zinc/00/89/05/1019008905.db2.gz FVPPNQGRLYDIPO-RKDXNWHRSA-N -1 0 308.425 -0.052 20 0 DBADRM C[C@@H]1CN(CC(=O)NCC(=O)OC(C)(C)C)C[C@@H](C(=O)[O-])O1 ZINC001607437112 1019009189 /nfs/dbraw/zinc/00/91/89/1019009189.db2.gz LUNAXLALAZTWQF-ZJUUUORDSA-N -1 0 316.354 -0.382 20 0 DBADRM C[C@@H]1CN(C(=O)CCn2cnc3c2ncnc3N)C[C@H]1C(=O)[O-] ZINC001607431003 1019010396 /nfs/dbraw/zinc/01/03/96/1019010396.db2.gz VQYGBUZXFYKFIF-RKDXNWHRSA-N -1 0 318.337 -0.022 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)C[C@@H](C(=O)[O-])O1 ZINC001607436213 1019010759 /nfs/dbraw/zinc/01/07/59/1019010759.db2.gz HFVPPDDHTDOETH-WKJUBOCMSA-N -1 0 310.310 -0.712 20 0 DBADRM C[C@@H]1C[C@H](CO)CCN1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001607446584 1019011592 /nfs/dbraw/zinc/01/15/92/1019011592.db2.gz CTKRQNFXZQZKEH-GHMZBOCLSA-N -1 0 315.370 -0.230 20 0 DBADRM C[C@]1(CO)CN(C(=O)Cn2ccc(C(=O)[O-])n2)C[C@@]1(C)CO ZINC001607447656 1019011701 /nfs/dbraw/zinc/01/17/01/1019011701.db2.gz KMPJKZYNIJAWQN-OKILXGFUSA-N -1 0 311.338 -0.579 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cnc(N)nc1 ZINC001607445968 1019012042 /nfs/dbraw/zinc/01/20/42/1019012042.db2.gz RZADJKKKBFYFAT-HTQZYQBOSA-N -1 0 300.340 -0.067 20 0 DBADRM C[C@@H]1CN(c2nnc([C@@H]3CNC(=O)C3)n2C)C[C@H]1CC(=O)[O-] ZINC001607440616 1019012857 /nfs/dbraw/zinc/01/28/57/1019012857.db2.gz IKAQRYUWUZYLFH-KXUCPTDWSA-N -1 0 307.354 -0.034 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCC3(CNC(=O)O3)CC2)O[C@H]1C(=O)[O-] ZINC001607439614 1019012874 /nfs/dbraw/zinc/01/28/74/1019012874.db2.gz CTOKKTLQBRVDDL-OPRDCNLKSA-N -1 0 312.322 -0.034 20 0 DBADRM C[C@@]12CN(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])C[C@@H]1CS(=O)(=O)C2 ZINC001607449513 1019014224 /nfs/dbraw/zinc/01/42/24/1019014224.db2.gz NFPHFUOHXFPXNW-PRFIWBCESA-N -1 0 316.379 -0.217 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@@H](O)c1ccccc1)C(=O)[O-] ZINC001607458497 1019014482 /nfs/dbraw/zinc/01/44/82/1019014482.db2.gz HIFRTAYBCAHXTM-JBLDHEPKSA-N -1 0 323.349 -0.003 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)Cn1cc(C2CC2)nn1)C(=O)[O-] ZINC001607458171 1019014615 /nfs/dbraw/zinc/01/46/15/1019014615.db2.gz GWXJWICSVPSUOP-YUMQZZPRSA-N -1 0 309.326 -0.751 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H]1CCc2n[nH]cc2C1)C(=O)[O-] ZINC001607457987 1019015208 /nfs/dbraw/zinc/01/52/08/1019015208.db2.gz AYYGCQKVUQOMOC-NRPADANISA-N -1 0 323.353 -0.456 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H]1CO[C@H](C2CC2)C1)C(=O)[O-] ZINC001607458398 1019015236 /nfs/dbraw/zinc/01/52/36/1019015236.db2.gz GBHSWOXBPAQAOK-HLFFCZDVSA-N -1 0 313.354 -0.169 20 0 DBADRM C[C@H](NC(=O)C(N)=O)C1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001607455027 1019015456 /nfs/dbraw/zinc/01/54/56/1019015456.db2.gz SGRVXPAJOGRKDF-QMMMGPOBSA-N -1 0 321.337 -0.619 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001607451422 1019016206 /nfs/dbraw/zinc/01/62/06/1019016206.db2.gz ZGJIBDPDAYBVMD-SECBINFHSA-N -1 0 304.368 -0.124 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@]1(C)CCCO1)C(=O)[O-] ZINC001607457972 1019015954 /nfs/dbraw/zinc/01/59/54/1019015954.db2.gz AMKCSXBYHZSIJD-RVBZMBCESA-N -1 0 301.343 -0.168 20 0 DBADRM C[C@H](NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@H](C3)N2C1=O)C(=O)[O-] ZINC001607456448 1019016692 /nfs/dbraw/zinc/01/66/92/1019016692.db2.gz HKQIKKKLNODQBJ-WLRJLXCNSA-N -1 0 309.322 -0.221 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1c[nH]nc1[C@H]1CCCO1)C(=O)[O-] ZINC001607459672 1019017155 /nfs/dbraw/zinc/01/71/55/1019017155.db2.gz GKVOPTQQYPWBNK-OYNCUSHFSA-N -1 0 324.337 -0.031 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)C(=O)N(C)C ZINC001607462328 1019017954 /nfs/dbraw/zinc/01/79/54/1019017954.db2.gz XMKYSYZYUOPMFT-ZETCQYMHSA-N -1 0 303.340 -0.522 20 0 DBADRM C[C@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@]1(C)C(=O)[O-] ZINC001607469107 1019021089 /nfs/dbraw/zinc/02/10/89/1019021089.db2.gz MGTCSCCNBGYMAD-RTHLEPHNSA-N -1 0 311.338 -0.114 20 0 DBADRM C[C@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@@H](C(=O)[O-])O1 ZINC001607468454 1019021279 /nfs/dbraw/zinc/02/12/79/1019021279.db2.gz AAGJRDHVRPOTPU-UWVGGRQHSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2cccnc2)C[C@@H](C(=O)[O-])O1 ZINC001607467344 1019021545 /nfs/dbraw/zinc/02/15/45/1019021545.db2.gz TUCIPTMIJFYFSB-ONGXEEELSA-N -1 0 307.306 -0.602 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CC[C@H](S(N)(=O)=O)C1 ZINC001607493867 1019022221 /nfs/dbraw/zinc/02/22/21/1019022221.db2.gz FSVVNTYWGRWXMZ-QMMMGPOBSA-N -1 0 315.351 -0.433 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCN2C(=O)NC[C@@H]2C1 ZINC001607496562 1019022240 /nfs/dbraw/zinc/02/22/40/1019022240.db2.gz YFHADJDJQLRSID-SECBINFHSA-N -1 0 306.322 -0.087 20 0 DBADRM C[C@H]1CN(c2nnnn2CCc2ccccn2)C[C@@H](C(=O)[O-])O1 ZINC001607479604 1019022424 /nfs/dbraw/zinc/02/24/24/1019022424.db2.gz SOIKVITYZJIVPG-JQWIXIFHSA-N -1 0 318.337 -0.011 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607483884 1019022523 /nfs/dbraw/zinc/02/25/23/1019022523.db2.gz ODIKMRAFHZGDGJ-YUMQZZPRSA-N -1 0 308.294 -0.915 20 0 DBADRM Cc1[nH]c(C(=O)[C@@H](C)N2C[C@H](O)C[C@H]2C(N)=O)c(C)c1C(=O)[O-] ZINC001607488182 1019022685 /nfs/dbraw/zinc/02/26/85/1019022685.db2.gz XHSCZURLKXXVQA-BBBLOLIVSA-N -1 0 323.349 -0.179 20 0 DBADRM C[C@H]1CN(C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)CCN1S(C)(=O)=O ZINC001607475967 1019022782 /nfs/dbraw/zinc/02/27/82/1019022782.db2.gz AZXHNPSIXYQZBK-YIZRAAEISA-N -1 0 312.338 -0.082 20 0 DBADRM CO[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001502181447 1019024770 /nfs/dbraw/zinc/02/47/70/1019024770.db2.gz XJINQQTYQLNILF-RKDXNWHRSA-N -1 0 321.337 -0.708 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607500162 1019025834 /nfs/dbraw/zinc/02/58/34/1019025834.db2.gz MYIWWRQPJBHMNM-QCLAVDOMSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1[nH]nc2ncc(C(=O)N3CC(=O)N(C)C[C@H]3C(=O)[O-])cc12 ZINC001607500664 1019026000 /nfs/dbraw/zinc/02/60/00/1019026000.db2.gz TZOFIXZDEAAEHJ-JTQLQIEISA-N -1 0 317.305 -0.366 20 0 DBADRM Cc1nc[nH]c1C(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001607500277 1019026214 /nfs/dbraw/zinc/02/62/14/1019026214.db2.gz ZDBYJMSGJLRNJK-ZETCQYMHSA-N -1 0 304.310 -0.141 20 0 DBADRM Cc1c(C(=O)[O-])cc(CN2C(=O)[C@H]3C[C@@H](O)CN3C2=O)n1C ZINC001607511611 1019027211 /nfs/dbraw/zinc/02/72/11/1019027211.db2.gz UVBBYYLUYNTRRC-MWLCHTKSSA-N -1 0 307.306 -0.071 20 0 DBADRM Cc1c(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cnn1C ZINC001607508850 1019027364 /nfs/dbraw/zinc/02/73/64/1019027364.db2.gz ZBUFKJAEYAMALD-GHMZBOCLSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)C(=O)N[C@@H]2CO[C@@H](C)C2)n1C ZINC001607512131 1019027421 /nfs/dbraw/zinc/02/74/21/1019027421.db2.gz SYMMJVZJQITQEE-WPRPVWTQSA-N -1 0 323.349 -0.058 20 0 DBADRM Cc1c(C(=O)[O-])cc(CN2CC(NS(C)(=O)=O)C2)n1C ZINC001607511863 1019027499 /nfs/dbraw/zinc/02/74/99/1019027499.db2.gz ZETXCKLUOUSARI-UHFFFAOYSA-N -1 0 301.368 -0.235 20 0 DBADRM Cc1c(Cl)c(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])nn1C ZINC001607528681 1019027788 /nfs/dbraw/zinc/02/77/88/1019027788.db2.gz LGIXXCFCYSXWBJ-ZETCQYMHSA-N -1 0 312.717 -0.143 20 0 DBADRM Cc1c(NC(=O)[C@@H]2CCc3nnnn3CC2)cnn1CC(=O)[O-] ZINC001607541503 1019027935 /nfs/dbraw/zinc/02/79/35/1019027935.db2.gz XFKHNZWRAUMRDK-SECBINFHSA-N -1 0 319.325 -0.146 20 0 DBADRM Cc1c(NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)cccc1C(=O)[O-] ZINC001607535950 1019028452 /nfs/dbraw/zinc/02/84/52/1019028452.db2.gz YDSWEQLUOLSILV-LLVKDONJSA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1c(NC(=O)C(=O)N(C)[C@H]2CCNC2=O)cccc1C(=O)[O-] ZINC001607535954 1019028534 /nfs/dbraw/zinc/02/85/34/1019028534.db2.gz YDSWEQLUOLSILV-NSHDSACASA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cnn1C ZINC001607535253 1019028777 /nfs/dbraw/zinc/02/87/77/1019028777.db2.gz NPZCREZBQRRJHZ-XCBNKYQSSA-N -1 0 310.310 -0.632 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cnn1CC(=O)[O-] ZINC001607538021 1019028958 /nfs/dbraw/zinc/02/89/58/1019028958.db2.gz GOUVSGCFAGGTBB-KKZNHRDASA-N -1 0 322.321 -0.349 20 0 DBADRM Cc1c(N)cccc1NC(=O)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001607534970 1019029282 /nfs/dbraw/zinc/02/92/82/1019029282.db2.gz FFUCLGMLDRKBRM-UHFFFAOYSA-N -1 0 321.333 -0.046 20 0 DBADRM Cc1c(CN(C)S(=O)(=O)N(C)CCC(=O)[O-])cnn1C ZINC001607528091 1019029909 /nfs/dbraw/zinc/02/99/09/1019029909.db2.gz YGQONTOJGMRUIK-UHFFFAOYSA-N -1 0 304.372 -0.188 20 0 DBADRM Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)ncn1 ZINC001607579499 1019030446 /nfs/dbraw/zinc/03/04/46/1019030446.db2.gz ZUQYIBXQYIOJBL-MNOVXSKESA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1cc(=O)[nH]c(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1 ZINC001607560527 1019030471 /nfs/dbraw/zinc/03/04/71/1019030471.db2.gz KMUYUUWXGQGUSP-VIFPVBQESA-N -1 0 322.321 -0.570 20 0 DBADRM Cc1cc(C(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)ncn1 ZINC001607577788 1019030544 /nfs/dbraw/zinc/03/05/44/1019030544.db2.gz USQGKWDJIYQYPO-VHSXEESVSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1cc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c(C)n1NC(N)=O ZINC001607569794 1019030815 /nfs/dbraw/zinc/03/08/15/1019030815.db2.gz QMHBVRFHSLHAIC-NXEZZACHSA-N -1 0 324.337 -0.365 20 0 DBADRM Cc1cc(C(=O)N2CCN(CC(N)=O)C(=O)C2)oc1C(=O)[O-] ZINC001607571502 1019030861 /nfs/dbraw/zinc/03/08/61/1019030861.db2.gz GQDGFCLBHBMXSQ-UHFFFAOYSA-N -1 0 309.278 -0.944 20 0 DBADRM Cc1cc(C(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])co1 ZINC001607571120 1019031621 /nfs/dbraw/zinc/03/16/21/1019031621.db2.gz ADSMYFIKVXKZOD-UWVGGRQHSA-N -1 0 321.289 -0.192 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)oc1C(=O)[O-] ZINC001607580689 1019031672 /nfs/dbraw/zinc/03/16/72/1019031672.db2.gz MZAMLFSVRHOBCS-RNFRBKRXSA-N -1 0 303.292 -0.826 20 0 DBADRM Cc1cc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])ncc1C(N)=O ZINC001607578759 1019031732 /nfs/dbraw/zinc/03/17/32/1019031732.db2.gz WBCQXHVRKONWLV-NSHDSACASA-N -1 0 317.305 -0.431 20 0 DBADRM Cc1cc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)ccc1-n1cnnn1 ZINC001607570830 1019032048 /nfs/dbraw/zinc/03/20/48/1019032048.db2.gz FMTWMVFNXHNUDW-CQSZACIVSA-N -1 0 317.305 -0.368 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])n(C)n1 ZINC001607572404 1019032320 /nfs/dbraw/zinc/03/23/20/1019032320.db2.gz SIBYKLKZWJRWAB-VIFPVBQESA-N -1 0 301.324 -0.948 20 0 DBADRM Cc1c[nH]nc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607556595 1019032363 /nfs/dbraw/zinc/03/23/63/1019032363.db2.gz QRGVSXQXSLNDHA-RGOKHQFPSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001607581484 1019032726 /nfs/dbraw/zinc/03/27/26/1019032726.db2.gz OWYSIIVIRRXXQL-QCLAVDOMSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n(C)n1 ZINC001607571918 1019032804 /nfs/dbraw/zinc/03/28/04/1019032804.db2.gz SARGHUAUBBMABG-MNOVXSKESA-N -1 0 320.349 -0.266 20 0 DBADRM Cc1cc(C)n2nc(C(=O)NC[C@@]3(C(=O)[O-])CCOC3)nc2n1 ZINC001607632095 1019033783 /nfs/dbraw/zinc/03/37/83/1019033783.db2.gz UIUNTUZGMDSFOJ-AWEZNQCLSA-N -1 0 319.321 -0.038 20 0 DBADRM Cc1cc([C@H](NC(=O)Cn2ncn(C)c2=O)C(=O)[O-])ccc1F ZINC001607615846 1019034263 /nfs/dbraw/zinc/03/42/63/1019034263.db2.gz ZWMWSRZYLSQTBF-LBPRGKRZSA-N -1 0 322.296 -0.029 20 0 DBADRM Cc1cc(C2(C(=O)N3CC(=O)N(C)C[C@H]3C(=O)[O-])CC2)on1 ZINC001607631992 1019034350 /nfs/dbraw/zinc/03/43/50/1019034350.db2.gz CYBLLCKOXNFQPZ-VIFPVBQESA-N -1 0 307.306 -0.232 20 0 DBADRM Cc1cc(C)n(CCC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])n1 ZINC001607629541 1019034883 /nfs/dbraw/zinc/03/48/83/1019034883.db2.gz DEVRIHLBIZJGIU-LLVKDONJSA-N -1 0 308.338 -0.356 20 0 DBADRM Cc1cc(CNC(=O)NCCC(=O)NCCC(=O)[O-])n(C)n1 ZINC001607642733 1019035108 /nfs/dbraw/zinc/03/51/08/1019035108.db2.gz ALKGZUYRNJXXFZ-UHFFFAOYSA-N -1 0 311.342 -0.491 20 0 DBADRM Cc1cc(CNC(=O)Cn2cccc(C(=O)[O-])c2=O)n(C)n1 ZINC001607642501 1019035222 /nfs/dbraw/zinc/03/52/22/1019035222.db2.gz PPZBIOQUHJNWFB-UHFFFAOYSA-N -1 0 304.306 -0.095 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)ncn1 ZINC001607641948 1019035682 /nfs/dbraw/zinc/03/56/82/1019035682.db2.gz VSUFWVDTPKDMIP-JGZJWPJOSA-N -1 0 306.322 -0.277 20 0 DBADRM Cc1cc(NC[C@H](C)S(C)(=O)=O)n2nc(C(=O)[O-])nc2n1 ZINC001607694489 1019036562 /nfs/dbraw/zinc/03/65/62/1019036562.db2.gz UEZMRXBYSLINRT-ZETCQYMHSA-N -1 0 313.339 -0.024 20 0 DBADRM CN(CCCN(C)C(=O)C(=O)NCC1CC1)Cc1n[nH]c(=O)[n-]1 ZINC001502385182 1019037009 /nfs/dbraw/zinc/03/70/09/1019037009.db2.gz LUPXROFZJMXDBM-UHFFFAOYSA-N -1 0 324.385 -0.683 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)c(C(=O)[O-])[nH]1 ZINC001607672247 1019036995 /nfs/dbraw/zinc/03/69/95/1019036995.db2.gz YTGJBYHLHHYKIU-AWEZNQCLSA-N -1 0 322.321 -0.316 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC(=O)N(C)[C@H](C)C2)c(C(=O)[O-])[nH]1 ZINC001607670275 1019037105 /nfs/dbraw/zinc/03/71/05/1019037105.db2.gz CNOSGZLWPLFSCN-MRVPVSSYSA-N -1 0 322.321 -0.351 20 0 DBADRM Cc1cc(NC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])n(C)n1 ZINC001607682585 1019037468 /nfs/dbraw/zinc/03/74/68/1019037468.db2.gz LODUGQZSBSGKAZ-SECBINFHSA-N -1 0 309.326 -0.074 20 0 DBADRM Cc1cc(O)ccc1CC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001607698756 1019037614 /nfs/dbraw/zinc/03/76/14/1019037614.db2.gz GKFJQRDHFPKWIY-GFCCVEGCSA-N -1 0 306.318 -0.003 20 0 DBADRM CN(CCCN(C)C(=O)[C@]1(C)CCNC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001502373632 1019038119 /nfs/dbraw/zinc/03/81/19/1019038119.db2.gz RKRDGQNHOZNGEO-CQSZACIVSA-N -1 0 324.385 -0.683 20 0 DBADRM Cc1cc(NC(=O)NCC(=O)NCC(=O)[O-])c(N(C)C)nn1 ZINC001607687405 1019037983 /nfs/dbraw/zinc/03/79/83/1019037983.db2.gz TZVKCSWGJOEWDO-UHFFFAOYSA-N -1 0 310.314 -0.827 20 0 DBADRM Cc1cc(O)ccc1CC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001607698758 1019038114 /nfs/dbraw/zinc/03/81/14/1019038114.db2.gz GKFJQRDHFPKWIY-LBPRGKRZSA-N -1 0 306.318 -0.003 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001607700098 1019038860 /nfs/dbraw/zinc/03/88/60/1019038860.db2.gz SEEWLPDHIRTVKG-SNVBAGLBSA-N -1 0 310.306 -0.436 20 0 DBADRM Cc1cc(S(=O)(=O)N(C)CC(C)(CO)CO)oc1C(=O)[O-] ZINC001607703127 1019039144 /nfs/dbraw/zinc/03/91/44/1019039144.db2.gz CZUOYWYTVIRZDN-UHFFFAOYSA-N -1 0 321.351 -0.102 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@H](C)/C=C\C(=O)[O-] ZINC001607710689 1019039221 /nfs/dbraw/zinc/03/92/21/1019039221.db2.gz RCZUOPZCOLXYPK-KFOINNEUSA-N -1 0 302.308 -0.005 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)NCCOCC(=O)[O-] ZINC001607710638 1019039980 /nfs/dbraw/zinc/03/99/80/1019039980.db2.gz NSMYSVGYSXRHAQ-UHFFFAOYSA-N -1 0 306.296 -0.934 20 0 DBADRM Cc1cc2c(cc1C)O[C@H](C(=O)NCC(=O)NCC(=O)[O-])C2 ZINC001607711787 1019040076 /nfs/dbraw/zinc/04/00/76/1019040076.db2.gz KLCVOCNDIPVKGG-LBPRGKRZSA-N -1 0 306.318 -0.076 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@@H](CCF)C(=O)[O-] ZINC001607710608 1019040228 /nfs/dbraw/zinc/04/02/28/1019040228.db2.gz MDKXOJBSBYOEIK-LURJTMIESA-N -1 0 308.287 -0.222 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@@H](C)/C=C\C(=O)[O-] ZINC001607710688 1019040494 /nfs/dbraw/zinc/04/04/94/1019040494.db2.gz RCZUOPZCOLXYPK-AVALRIAPSA-N -1 0 302.308 -0.005 20 0 DBADRM Cc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])nn1 ZINC001607729121 1019041095 /nfs/dbraw/zinc/04/10/95/1019041095.db2.gz XPNVAZFOXDFYPE-UHFFFAOYSA-N -1 0 308.338 -0.356 20 0 DBADRM Cc1ccc(-c2nnn(CC(=O)N[C@@](C)(CO)C(=O)[O-])n2)cc1 ZINC001607720494 1019041260 /nfs/dbraw/zinc/04/12/60/1019041260.db2.gz HNQASLNVYKBDSI-AWEZNQCLSA-N -1 0 319.321 -0.400 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)o1 ZINC001607781103 1019041848 /nfs/dbraw/zinc/04/18/48/1019041848.db2.gz JIECVNLPKNSQSP-ONGXEEELSA-N -1 0 310.306 -0.095 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)cc1C(=O)[O-] ZINC001607797145 1019042445 /nfs/dbraw/zinc/04/24/45/1019042445.db2.gz KUIKAFYHDUEFIZ-VIFPVBQESA-N -1 0 305.290 -0.364 20 0 DBADRM Cc1ccc2ncc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c(=O)n2c1 ZINC001607833627 1019042737 /nfs/dbraw/zinc/04/27/37/1019042737.db2.gz RVPNUGJDJJXVTP-KCJUWKMLSA-N -1 0 305.290 -0.433 20 0 DBADRM Cc1ccc(CCNC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)o1 ZINC001607777658 1019043079 /nfs/dbraw/zinc/04/30/79/1019043079.db2.gz VPEFMQHJALSJIP-LBPRGKRZSA-N -1 0 324.333 -0.051 20 0 DBADRM Cc1cn2c(n1)CN(C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)CC2 ZINC001607900474 1019044474 /nfs/dbraw/zinc/04/44/74/1019044474.db2.gz JGUTYCLTQNMAIZ-MWLCHTKSSA-N -1 0 320.349 -0.287 20 0 DBADRM Cc1cn2nnc(C(=O)N3CCC[C@H](O)[C@H]3C(=O)[O-])c2c(=O)[nH]1 ZINC001607903057 1019044744 /nfs/dbraw/zinc/04/47/44/1019044744.db2.gz MPZJQDQTNHZLQQ-CBAPKCEASA-N -1 0 321.293 -0.812 20 0 DBADRM Cc1ccncc1NC(=O)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001607898454 1019044948 /nfs/dbraw/zinc/04/49/48/1019044948.db2.gz IFJYNYGPENSJJE-UHFFFAOYSA-N -1 0 318.293 -0.565 20 0 DBADRM Cc1ccccc1[C@@H](C(=O)[O-])N1CCN(CC(N)=O)C(=O)C1 ZINC001607874222 1019045864 /nfs/dbraw/zinc/04/58/64/1019045864.db2.gz SOSQBNIPWJTHIC-AWEZNQCLSA-N -1 0 305.334 -0.250 20 0 DBADRM Cc1cn2c(ncc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c2=O)s1 ZINC001607900279 1019046073 /nfs/dbraw/zinc/04/60/73/1019046073.db2.gz FFMWYRPHWXQQKE-SVRRBLITSA-N -1 0 311.319 -0.372 20 0 DBADRM Cc1cncn1CC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607915083 1019048429 /nfs/dbraw/zinc/04/84/29/1019048429.db2.gz NRWDAASZGGSMKX-VXGBXAGGSA-N -1 0 320.349 -0.419 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001607916905 1019049271 /nfs/dbraw/zinc/04/92/71/1019049271.db2.gz LSAQOVFSWAPESM-SNVBAGLBSA-N -1 0 316.383 -0.635 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@H](C)/C=C/C(=O)[O-] ZINC001607911108 1019049418 /nfs/dbraw/zinc/04/94/18/1019049418.db2.gz WQWOLUWJUSNQCB-WTSVBCDHSA-N -1 0 313.335 -0.052 20 0 DBADRM Cc1cnc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)nc1 ZINC001607906961 1019050075 /nfs/dbraw/zinc/05/00/75/1019050075.db2.gz SCFDICLTJIRYPP-SNVBAGLBSA-N -1 0 306.322 -0.276 20 0 DBADRM Cc1cnoc1C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001607918890 1019050625 /nfs/dbraw/zinc/05/06/25/1019050625.db2.gz YUSZLOFOXAHBAW-QMMMGPOBSA-N -1 0 321.293 -0.904 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCNC(=O)C2CC2)c1C(=O)[O-] ZINC001607938419 1019051201 /nfs/dbraw/zinc/05/12/01/1019051201.db2.gz PVBSMQOZXNCHDM-UHFFFAOYSA-N -1 0 316.339 -0.779 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001607936866 1019051945 /nfs/dbraw/zinc/05/19/45/1019051945.db2.gz MMIVUYYMEOVAOO-MRVPVSSYSA-N -1 0 319.339 -0.479 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@@H](O)[C@@H](F)C2)c1C(=O)[O-] ZINC001607936272 1019052073 /nfs/dbraw/zinc/05/20/73/1019052073.db2.gz BBEWXIZQAQBMCY-NKWVEPMBSA-N -1 0 307.303 -0.490 20 0 DBADRM Cc1nc(C)c(CC(=O)OCC(=O)NCCC(=O)[O-])c(=O)[nH]1 ZINC001607948405 1019054321 /nfs/dbraw/zinc/05/43/21/1019054321.db2.gz ZCGMQYFNIXGHBI-UHFFFAOYSA-N -1 0 311.294 -0.524 20 0 DBADRM Cc1nn[nH]c1C(=O)NCC=CCNc1ccnc(C(=O)[O-])n1 ZINC001607940311 1019054372 /nfs/dbraw/zinc/05/43/72/1019054372.db2.gz CIQBICAFSVFFLP-NSCUHMNNSA-N -1 0 317.309 -0.579 20 0 DBADRM Cc1nn[nH]c1C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001607941162 1019054648 /nfs/dbraw/zinc/05/46/48/1019054648.db2.gz REUKWYAICXUIMV-UHFFFAOYSA-N -1 0 316.339 -0.735 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@]2(C)CCC(=O)N2)c1C(=O)[O-] ZINC001607939323 1019055765 /nfs/dbraw/zinc/05/57/65/1019055765.db2.gz BLNLHAKGYFWUOG-NSHDSACASA-N -1 0 316.339 -0.637 20 0 DBADRM Cc1nc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])co1 ZINC001607943612 1019056243 /nfs/dbraw/zinc/05/62/43/1019056243.db2.gz CBAXBAWFBVWIAF-QMMMGPOBSA-N -1 0 302.308 -0.303 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001607938886 1019056550 /nfs/dbraw/zinc/05/65/50/1019056550.db2.gz FACIOOGFOJITKC-JTQLQIEISA-N -1 0 308.338 -0.049 20 0 DBADRM Cc1ncc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1C ZINC001607976060 1019056975 /nfs/dbraw/zinc/05/69/75/1019056975.db2.gz SRMOHNGWFFXPNB-MNOVXSKESA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1ncc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c(C)n1 ZINC001607975486 1019057275 /nfs/dbraw/zinc/05/72/75/1019057275.db2.gz BHPZDJXFLQBIIO-NSHDSACASA-N -1 0 306.322 -0.101 20 0 DBADRM Cc1ncc(CCNC(=O)C(=O)NC[C@H](F)C(=O)[O-])s1 ZINC001607977768 1019057656 /nfs/dbraw/zinc/05/76/56/1019057656.db2.gz DHCAOJNCLAVTLZ-QMMMGPOBSA-N -1 0 303.315 -0.351 20 0 DBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N[C@H](CO)C(=O)[O-] ZINC001607969448 1019057448 /nfs/dbraw/zinc/05/74/48/1019057448.db2.gz MSLCEQJDYLZTCV-SECBINFHSA-N -1 0 322.321 -0.605 20 0 DBADRM Cc1ncc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(N)n1 ZINC001607975644 1019058037 /nfs/dbraw/zinc/05/80/37/1019058037.db2.gz HJRYEUXRJINOMY-JTQLQIEISA-N -1 0 323.353 -0.287 20 0 DBADRM Cc1nc2c(nccc2C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])[nH]1 ZINC001607968466 1019058250 /nfs/dbraw/zinc/05/82/50/1019058250.db2.gz JDLLLAJJBYUOLP-VIFPVBQESA-N -1 0 317.305 -0.366 20 0 DBADRM Cc1ncc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1C(N)=O ZINC001607980029 1019058382 /nfs/dbraw/zinc/05/83/82/1019058382.db2.gz DMAAUGCDENVNNC-ZDUSSCGKSA-N -1 0 308.294 -0.458 20 0 DBADRM Cc1ncc(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1C ZINC001607976061 1019058723 /nfs/dbraw/zinc/05/87/23/1019058723.db2.gz SRMOHNGWFFXPNB-QWRGUYRKSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1ncccc1CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001607988949 1019060157 /nfs/dbraw/zinc/06/01/57/1019060157.db2.gz PBUNYONHPRYSMM-NSHDSACASA-N -1 0 312.347 -0.357 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)NC[C@H](O)CC(=O)[O-] ZINC001607996289 1019060181 /nfs/dbraw/zinc/06/01/81/1019060181.db2.gz OZMOBTJMYICIAI-SNVBAGLBSA-N -1 0 305.294 -0.464 20 0 DBADRM Cc1ncn(C)c1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001607990390 1019060544 /nfs/dbraw/zinc/06/05/44/1019060544.db2.gz HMBMVDBSVLDCGC-WDEREUQCSA-N -1 0 320.349 -0.266 20 0 DBADRM Cc1nccn1CC(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607990500 1019061257 /nfs/dbraw/zinc/06/12/57/1019061257.db2.gz KJYQVGADCMCFQE-RYUDHWBXSA-N -1 0 320.349 -0.513 20 0 DBADRM Cc1nccnc1N1CCN(Cn2cc(C(=O)[O-])nn2)CC1 ZINC001607990185 1019061445 /nfs/dbraw/zinc/06/14/45/1019061445.db2.gz BLPZJNVAJHAYNF-UHFFFAOYSA-N -1 0 303.326 -0.146 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])s1 ZINC001607983937 1019061534 /nfs/dbraw/zinc/06/15/34/1019061534.db2.gz KAWHNDVTXZUMLT-SSDOTTSWSA-N -1 0 319.364 -0.633 20 0 DBADRM Cc1nccc(C(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001607987002 1019061682 /nfs/dbraw/zinc/06/16/82/1019061682.db2.gz DQJVBYDXXOORLA-ZJUUUORDSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1nccn1CC(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607990497 1019061837 /nfs/dbraw/zinc/06/18/37/1019061837.db2.gz KJYQVGADCMCFQE-NEPJUHHUSA-N -1 0 320.349 -0.513 20 0 DBADRM Cc1nccnc1CCNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001607991552 1019062432 /nfs/dbraw/zinc/06/24/32/1019062432.db2.gz UCMLZJLTSADNJZ-GHMZBOCLSA-N -1 0 308.338 -0.195 20 0 DBADRM Cc1nn(CC(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)c(=O)n1C ZINC001608004174 1019062865 /nfs/dbraw/zinc/06/28/65/1019062865.db2.gz QYXBECDUIGCWID-LBPRGKRZSA-N -1 0 320.305 -0.462 20 0 DBADRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)CCNC(=O)CO ZINC001608007566 1019063973 /nfs/dbraw/zinc/06/39/73/1019063973.db2.gz KFQKDTWLBRSUPZ-UHFFFAOYSA-N -1 0 312.326 -0.588 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@H](C(=O)NC[C@H](O)CC(=O)[O-])C1 ZINC001608004922 1019064180 /nfs/dbraw/zinc/06/41/80/1019064180.db2.gz KCCURQJCVXRRHE-KCJUWKMLSA-N -1 0 310.310 -0.827 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)c1cc(C(=O)[O-])nn1C ZINC001608001198 1019064559 /nfs/dbraw/zinc/06/45/59/1019064559.db2.gz WICQBIPLLOWREM-NSHDSACASA-N -1 0 321.337 -0.068 20 0 DBADRM Cc1nn(CC(=O)NCc2ccc(C(=O)[O-])cn2)c(=O)n1C ZINC001608003619 1019064919 /nfs/dbraw/zinc/06/49/19/1019064919.db2.gz JALCBDPXSIMUAB-UHFFFAOYSA-N -1 0 305.294 -0.700 20 0 DBADRM Cc1nnsc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608018365 1019065686 /nfs/dbraw/zinc/06/56/86/1019065686.db2.gz FERLACRVGDJGIU-BDAKNGLRSA-N -1 0 324.362 -0.150 20 0 DBADRM Cc1noc(CCCC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])n1 ZINC001608026569 1019066425 /nfs/dbraw/zinc/06/64/25/1019066425.db2.gz YKGPHYSGWYUZAH-JTQLQIEISA-N -1 0 324.337 -0.107 20 0 DBADRM Cc1noc(CCC(=O)NCCNc2ccnc(C(=O)[O-])n2)n1 ZINC001608025644 1019067593 /nfs/dbraw/zinc/06/75/93/1019067593.db2.gz JTSAFLSYBNURIG-UHFFFAOYSA-N -1 0 320.309 -0.551 20 0 DBADRM Cc1nnc(CCC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])o1 ZINC001608015354 1019067706 /nfs/dbraw/zinc/06/77/06/1019067706.db2.gz ZRLOWMMOOQDPNN-VIFPVBQESA-N -1 0 310.310 -0.498 20 0 DBADRM Cc1noc(CCC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])n1 ZINC001608026450 1019067740 /nfs/dbraw/zinc/06/77/40/1019067740.db2.gz WUKOCXUVEMTQFI-SECBINFHSA-N -1 0 310.310 -0.498 20 0 DBADRM Cc1noc(C)c1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608024079 1019068116 /nfs/dbraw/zinc/06/81/16/1019068116.db2.gz HCUCGEVPLZAMFZ-ZJUUUORDSA-N -1 0 307.306 -0.047 20 0 DBADRM Cc1oc(C=O)cc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001608043744 1019068744 /nfs/dbraw/zinc/06/87/44/1019068744.db2.gz ZUKWYHKOWMDETE-SNVBAGLBSA-N -1 0 315.303 -0.276 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)cc1C(=O)[O-] ZINC001608050512 1019068832 /nfs/dbraw/zinc/06/88/32/1019068832.db2.gz LSZVEJDYJIFZGC-QMMMGPOBSA-N -1 0 323.305 -0.751 20 0 DBADRM Cc1oc(C(=O)N[C@H](C)/C=C/C(=O)[O-])cc1S(N)(=O)=O ZINC001608032221 1019069864 /nfs/dbraw/zinc/06/98/64/1019069864.db2.gz RUXSPIFVOHCXPS-FCJGRKLLSA-N -1 0 302.308 -0.005 20 0 DBADRM Cc1oc(CNC(=O)NC[C@@H](O)Cn2ccnn2)cc1C(=O)[O-] ZINC001608050390 1019069884 /nfs/dbraw/zinc/06/98/84/1019069884.db2.gz XFRRKLLKBIMJHS-SECBINFHSA-N -1 0 323.309 -0.262 20 0 DBADRM Cc1nonc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001608031509 1019070397 /nfs/dbraw/zinc/07/03/97/1019070397.db2.gz VSRCMSHITGUOPL-QCLAVDOMSA-N -1 0 322.321 -0.595 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)cc1C(=O)[O-] ZINC001608050510 1019070864 /nfs/dbraw/zinc/07/08/64/1019070864.db2.gz LSZVEJDYJIFZGC-MRVPVSSYSA-N -1 0 323.305 -0.751 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](NC(N)=O)C1 ZINC001608038644 1019070991 /nfs/dbraw/zinc/07/09/91/1019070991.db2.gz SMJWUSMITFZIPK-SSDOTTSWSA-N -1 0 317.323 -0.282 20 0 DBADRM Cn1c(=O)ccn(CC(=O)OC[C@H]2CCCC[C@H]2C(=O)[O-])c1=O ZINC001608077896 1019071754 /nfs/dbraw/zinc/07/17/54/1019071754.db2.gz NNLGCISDOAFHEI-GHMZBOCLSA-N -1 0 324.333 -0.019 20 0 DBADRM Cn1c2ccccc2n(CCC(=O)NCCOCC(=O)[O-])c1=O ZINC001608077962 1019072062 /nfs/dbraw/zinc/07/20/62/1019072062.db2.gz PHRSRQSBSUZQRL-UHFFFAOYSA-N -1 0 321.333 -0.053 20 0 DBADRM Cc1oc(S(=O)(=O)NCCCOCCO)cc1C(=O)[O-] ZINC001608055724 1019072410 /nfs/dbraw/zinc/07/24/10/1019072410.db2.gz DQRDEIAYFZJNQT-UHFFFAOYSA-N -1 0 307.324 -0.036 20 0 DBADRM Cc1ocnc1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608056614 1019072720 /nfs/dbraw/zinc/07/27/20/1019072720.db2.gz OIDJMSFNQRJEKB-UWVGGRQHSA-N -1 0 307.306 -0.013 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)c1=O ZINC001608077831 1019073248 /nfs/dbraw/zinc/07/32/48/1019073248.db2.gz LZOHBMXZKDHRBT-DBIOUOCHSA-N -1 0 321.333 -0.838 20 0 DBADRM Cc1oc(S(=O)(=O)NCc2nnn(C)n2)cc1C(=O)[O-] ZINC001608057271 1019073499 /nfs/dbraw/zinc/07/34/99/1019073499.db2.gz QZNXCXBYYPSBQO-UHFFFAOYSA-N -1 0 301.284 -0.712 20 0 DBADRM Cc1sc(S(N)(=O)=O)cc1C(=O)N[C@@H](CF)C(=O)[O-] ZINC001608074675 1019073736 /nfs/dbraw/zinc/07/37/36/1019073736.db2.gz SIVKGXKZRXVKHL-LURJTMIESA-N -1 0 310.328 -0.144 20 0 DBADRM Cn1cc(-c2n[nH]cc2C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1 ZINC001608094224 1019074895 /nfs/dbraw/zinc/07/48/95/1019074895.db2.gz FOIJENGNYWAGOU-PSASIEDQSA-N -1 0 319.321 -0.282 20 0 DBADRM Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001608092250 1019075020 /nfs/dbraw/zinc/07/50/20/1019075020.db2.gz OJFPOKYAVHRAIN-SNVBAGLBSA-N -1 0 321.333 -0.396 20 0 DBADRM Cn1c(CO)nc2cc(C(=O)N[C@@](C)(CO)C(=O)[O-])ccc21 ZINC001608089624 1019075206 /nfs/dbraw/zinc/07/52/06/1019075206.db2.gz IFWIJYUFSSMISO-AWEZNQCLSA-N -1 0 307.306 -0.369 20 0 DBADRM Cn1c(=O)cccc1C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001608081853 1019075243 /nfs/dbraw/zinc/07/52/43/1019075243.db2.gz SZFUFHLNYYDHJE-VIFPVBQESA-N -1 0 310.306 -0.279 20 0 DBADRM CN1C(=O)N=NC1CNS(=O)(=O)CCCCCC(=O)[O-] ZINC001608087658 1019075345 /nfs/dbraw/zinc/07/53/45/1019075345.db2.gz FHNATZYNBCXXTG-UHFFFAOYSA-N -1 0 306.344 -0.415 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC001608082406 1019075724 /nfs/dbraw/zinc/07/57/24/1019075724.db2.gz FGPYFDUHZSHGTB-CQSZACIVSA-N -1 0 320.305 -0.463 20 0 DBADRM Cn1cc(-c2n[nH]cc2C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001608094226 1019076061 /nfs/dbraw/zinc/07/60/61/1019076061.db2.gz FOIJENGNYWAGOU-WCBMZHEXSA-N -1 0 319.321 -0.282 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N[C@@H]1CCc2nnnn2CC1 ZINC001608082931 1019076470 /nfs/dbraw/zinc/07/64/70/1019076470.db2.gz WINJMLLSOJGZLX-MRVPVSSYSA-N -1 0 304.310 -0.155 20 0 DBADRM Cn1cc(C(=O)NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)[nH]c1=O ZINC001608098223 1019076960 /nfs/dbraw/zinc/07/69/60/1019076960.db2.gz NFQRYRZLAQRVLT-YUMQZZPRSA-N -1 0 322.321 -0.775 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)NCCCOCCO ZINC001608100611 1019077246 /nfs/dbraw/zinc/07/72/46/1019077246.db2.gz BLHPBOOUGJGEHT-UHFFFAOYSA-N -1 0 306.340 -0.599 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001608100157 1019077381 /nfs/dbraw/zinc/07/73/81/1019077381.db2.gz KRASGBXAVKGYPB-AOOOYVTPSA-N -1 0 316.335 -0.488 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2CC[C@@]3(CNC(=O)C3)C2)n1 ZINC001608099390 1019077409 /nfs/dbraw/zinc/07/74/09/1019077409.db2.gz SQRJQJXMHDVLJH-CYBMUJFWSA-N -1 0 307.310 -0.138 20 0 DBADRM Cn1cc(C(=O)C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)cn1 ZINC001608097137 1019077634 /nfs/dbraw/zinc/07/76/34/1019077634.db2.gz QODWZLWGBDHSNR-CYBMUJFWSA-N -1 0 306.278 -0.565 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2CCN3C(=O)OC[C@H]3C2)n1 ZINC001608098977 1019077718 /nfs/dbraw/zinc/07/77/18/1019077718.db2.gz FELZTVLGCCNZDV-SSDOTTSWSA-N -1 0 309.282 -0.213 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2CC(N3CC[C@@H](O)C3)C2)n1 ZINC001608099539 1019077788 /nfs/dbraw/zinc/07/77/88/1019077788.db2.gz ZPWMNSMQVIIFHU-SECBINFHSA-N -1 0 309.326 -0.599 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)NCCCCC(N)=O ZINC001608101242 1019078510 /nfs/dbraw/zinc/07/85/10/1019078510.db2.gz WANVJCQXXJCLKP-UHFFFAOYSA-N -1 0 303.340 -0.343 20 0 DBADRM Cn1cc(CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cn1 ZINC001608106383 1019078577 /nfs/dbraw/zinc/07/85/77/1019078577.db2.gz CCXZXFAPQCYHFE-GHMZBOCLSA-N -1 0 320.349 -0.552 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)Nc3[nH]cnc3C(=O)[O-])C2)cn1 ZINC001608106809 1019078635 /nfs/dbraw/zinc/07/86/35/1019078635.db2.gz HUVDYJZJKVRNAU-MRVPVSSYSA-N -1 0 304.266 -0.027 20 0 DBADRM Cn1cc(CCC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)nn1 ZINC001608108811 1019078646 /nfs/dbraw/zinc/07/86/46/1019078646.db2.gz YKYXVBMULCWXLN-IINYFYTJSA-N -1 0 308.338 -0.303 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)NCCCc2c[nH][nH]c2=O)n1 ZINC001608102492 1019078740 /nfs/dbraw/zinc/07/87/40/1019078740.db2.gz KRSVDPYDYFADGG-SSDOTTSWSA-N -1 0 308.298 -0.248 20 0 DBADRM Cn1cc([C@@H](CO)NS(=O)(=O)CC(C)(C)C(=O)[O-])cn1 ZINC001608106547 1019078858 /nfs/dbraw/zinc/07/88/58/1019078858.db2.gz WLKXXWRAEBKUNQ-SECBINFHSA-N -1 0 305.356 -0.516 20 0 DBADRM Cn1cc(CCC(=O)N[C@H](CCC2OCCO2)C(=O)[O-])nn1 ZINC001608108731 1019079248 /nfs/dbraw/zinc/07/92/48/1019079248.db2.gz RWOBOASAEOMERT-SNVBAGLBSA-N -1 0 312.326 -0.530 20 0 DBADRM Cn1cc(CC(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])cn1 ZINC001608109884 1019079903 /nfs/dbraw/zinc/07/99/03/1019079903.db2.gz FKLWBRDZTWMGKD-UHFFFAOYSA-N -1 0 309.282 -0.606 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)NC1(C(N)=O)CCCC1 ZINC001608101751 1019080197 /nfs/dbraw/zinc/08/01/97/1019080197.db2.gz FBXOJDXZDUNTEU-UHFFFAOYSA-N -1 0 315.351 -0.200 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)cn1 ZINC001608109294 1019080790 /nfs/dbraw/zinc/08/07/90/1019080790.db2.gz BEJATRYLZGOPOP-LBPRGKRZSA-N -1 0 322.365 -0.304 20 0 DBADRM Cn1cc([C@H](CO)NS(=O)(=O)CC(C)(C)C(=O)[O-])cn1 ZINC001608106548 1019080931 /nfs/dbraw/zinc/08/09/31/1019080931.db2.gz WLKXXWRAEBKUNQ-VIFPVBQESA-N -1 0 305.356 -0.516 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C2=O)cn1 ZINC001608117855 1019081246 /nfs/dbraw/zinc/08/12/46/1019081246.db2.gz VYYAZQOSNWZXSI-QXEWZRGKSA-N -1 0 321.337 -0.312 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N[C@@H](CCF)C(=O)[O-])CC2=O)cn1 ZINC001608117094 1019081333 /nfs/dbraw/zinc/08/13/33/1019081333.db2.gz GNWZHJAJJMASNK-SCZZXKLOSA-N -1 0 312.301 -0.298 20 0 DBADRM Cn1cc(CNCc2nnc3c(=O)[nH]ccn23)cc1C(=O)[O-] ZINC001608114846 1019081749 /nfs/dbraw/zinc/08/17/49/1019081749.db2.gz SCRACRYOPJLCEB-UHFFFAOYSA-N -1 0 302.294 -0.256 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCCC2CC(O)C2)cc1C(=O)[O-] ZINC001608116423 1019081783 /nfs/dbraw/zinc/08/17/83/1019081783.db2.gz RUKXMBILWCQRIW-UHFFFAOYSA-N -1 0 309.322 -0.061 20 0 DBADRM Cn1cc(CN2CC=C(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001608113646 1019082772 /nfs/dbraw/zinc/08/27/72/1019082772.db2.gz VPRJMUDDYCUWRE-CHWSQXEVSA-N -1 0 319.365 -0.216 20 0 DBADRM Cn1cc(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c(C(N)=O)n1 ZINC001608121355 1019084227 /nfs/dbraw/zinc/08/42/27/1019084227.db2.gz VZGSKMNGTGJIDU-HZGVNTEJSA-N -1 0 311.298 -0.870 20 0 DBADRM Cn1cc(NC(=O)N2CCO[C@@H](CC(N)=O)C2)cc1C(=O)[O-] ZINC001608118539 1019084741 /nfs/dbraw/zinc/08/47/41/1019084741.db2.gz UAWLYYRZQDLZQG-VIFPVBQESA-N -1 0 310.310 -0.169 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@H](O)[C@H]2CCCO2)cc1C(=O)[O-] ZINC001608121713 1019085396 /nfs/dbraw/zinc/08/53/96/1019085396.db2.gz ZBABWCXCKUDTGO-WDEREUQCSA-N -1 0 318.351 -0.459 20 0 DBADRM Cn1ccc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001608126098 1019085825 /nfs/dbraw/zinc/08/58/25/1019085825.db2.gz COIDIDMRWLKRNI-WRWGMCAJSA-N -1 0 320.349 -0.553 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCSC[C@H](C(=O)[O-])C2)cn1 ZINC001608121801 1019086136 /nfs/dbraw/zinc/08/61/36/1019086136.db2.gz DUEJIZFXTVTXPX-MRVPVSSYSA-N -1 0 305.381 -0.142 20 0 DBADRM Cn1cccc(C(=O)NCCNc2ncc(C(=O)[O-])cn2)c1=O ZINC001608130013 1019086722 /nfs/dbraw/zinc/08/67/22/1019086722.db2.gz IDHUARMDJFRVBK-UHFFFAOYSA-N -1 0 317.305 -0.285 20 0 DBADRM Cn1ccc([C@H](NS(=O)(=O)CCOCC2CC2)C(=O)[O-])n1 ZINC001608126883 1019086959 /nfs/dbraw/zinc/08/69/59/1019086959.db2.gz PVNGGTVPTCNTHU-NSHDSACASA-N -1 0 317.367 -0.108 20 0 DBADRM Cn1ccnc1CN1CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608132499 1019088515 /nfs/dbraw/zinc/08/85/15/1019088515.db2.gz FOVXRNQLWAUQBM-VXGBXAGGSA-N -1 0 321.381 -0.032 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2C[C@@H](Nc3ncc(C(=O)[O-])cn3)C2)n1 ZINC001608134574 1019089072 /nfs/dbraw/zinc/08/90/72/1019089072.db2.gz UBSRXIKMSJGFDV-DTORHVGOSA-N -1 0 317.309 -0.324 20 0 DBADRM Cn1cccc(NC(=O)Cn2cccc(C(=O)[O-])c2=O)c1=O ZINC001608130438 1019089117 /nfs/dbraw/zinc/08/91/17/1019089117.db2.gz SDMOYEWTBLHCSQ-UHFFFAOYSA-N -1 0 303.274 -0.116 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001502558978 1019089604 /nfs/dbraw/zinc/08/96/04/1019089604.db2.gz PYRKYDSQFJETQD-YIZRAAEISA-N -1 0 308.338 -0.624 20 0 DBADRM Cn1cnn(CC(=O)N2CCc3cccc(C(=O)[O-])c3C2)c1=O ZINC001608137370 1019089913 /nfs/dbraw/zinc/08/99/13/1019089913.db2.gz IWQYPDUAXPIMTO-UHFFFAOYSA-N -1 0 316.317 -0.135 20 0 DBADRM Cn1cnn(CC(=O)OCC(=O)c2ccc(C(=O)[O-])cc2)c1=O ZINC001608137225 1019090248 /nfs/dbraw/zinc/09/02/48/1019090248.db2.gz AEQKYJQMVCKTFC-UHFFFAOYSA-N -1 0 319.273 -0.294 20 0 DBADRM Cn1cnn(CC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1=O ZINC001608137502 1019090564 /nfs/dbraw/zinc/09/05/64/1019090564.db2.gz NESCRSCIKDVEPI-JTQLQIEISA-N -1 0 322.243 -0.553 20 0 DBADRM Cn1nc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1Br ZINC001608139128 1019091165 /nfs/dbraw/zinc/09/11/65/1019091165.db2.gz AWUFWTGYVBMQFM-SNVBAGLBSA-N -1 0 318.127 -0.156 20 0 DBADRM Cn1cnn(CCC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c1=O ZINC001608137891 1019091593 /nfs/dbraw/zinc/09/15/93/1019091593.db2.gz ZMJARESOENQMLF-UHFFFAOYSA-N -1 0 322.325 -0.373 20 0 DBADRM Cn1[nH]c([C@H]2CCCN2C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)nc1=N ZINC001608147932 1019092167 /nfs/dbraw/zinc/09/21/67/1019092167.db2.gz CKEIYAIXQVTSPM-HLTSFMKQSA-N -1 0 309.326 -0.477 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCC(=O)NCc1ccco1 ZINC001608142488 1019092347 /nfs/dbraw/zinc/09/23/47/1019092347.db2.gz APAYXLIJHDBVEI-UHFFFAOYSA-N -1 0 306.278 -0.243 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001608143095 1019092793 /nfs/dbraw/zinc/09/27/93/1019092793.db2.gz LHUJAZRFBCCKDO-APPZFPTMSA-N -1 0 310.310 -0.130 20 0 DBADRM Cn1nc(NC(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1C(=O)[O-] ZINC001608149723 1019092825 /nfs/dbraw/zinc/09/28/25/1019092825.db2.gz AFDUODUCUMKESP-SSDOTTSWSA-N -1 0 316.339 -0.183 20 0 DBADRM Cn1nc(C(=O)NCC[C@H](O)C(=O)[O-])cc1Br ZINC001608142773 1019093133 /nfs/dbraw/zinc/09/31/33/1019093133.db2.gz YLVLPPYDNJUKKT-LURJTMIESA-N -1 0 306.116 -0.252 20 0 DBADRM Cn1nc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])cc1C1CC1 ZINC001608149000 1019093180 /nfs/dbraw/zinc/09/31/80/1019093180.db2.gz SXVWSVDPPAZNQU-MRVPVSSYSA-N -1 0 310.310 -0.812 20 0 DBADRM Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001608139322 1019093233 /nfs/dbraw/zinc/09/32/33/1019093233.db2.gz RFDVTQLBTUOTFI-OPRDCNLKSA-N -1 0 321.337 -0.542 20 0 DBADRM Cn1nc(NC(=O)[C@](C)(O)Cn2ccccc2=O)cc1C(=O)[O-] ZINC001608148107 1019093301 /nfs/dbraw/zinc/09/33/01/1019093301.db2.gz HYNIQMNBUKFDDX-CQSZACIVSA-N -1 0 320.305 -0.330 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001608155700 1019093952 /nfs/dbraw/zinc/09/39/52/1019093952.db2.gz SXSDUUOGCIOHRG-BDAKNGLRSA-N -1 0 312.326 -0.427 20 0 DBADRM Cn1ncc(Br)c1CC(=O)N[C@](C)(CO)C(=O)[O-] ZINC001608152862 1019094014 /nfs/dbraw/zinc/09/40/14/1019094014.db2.gz AHUWDRYBMJIOQS-SNVBAGLBSA-N -1 0 320.143 -0.323 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001608156320 1019094316 /nfs/dbraw/zinc/09/43/16/1019094316.db2.gz KMHLQCBFNDRCPO-LJGSYFOKSA-N -1 0 316.339 -0.185 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2CCN(c3ccnc(C(=O)[O-])n3)C2)n1 ZINC001608155301 1019094480 /nfs/dbraw/zinc/09/44/80/1019094480.db2.gz HSZZEXMFVBIGRJ-QMMMGPOBSA-N -1 0 317.309 -0.688 20 0 DBADRM Cn1nc2c(c1S(=O)(=O)N[C@](C)(CO)C(=O)[O-])CCCC2 ZINC001608153251 1019094745 /nfs/dbraw/zinc/09/47/45/1019094745.db2.gz KHCICTFKMKYUKA-GFCCVEGCSA-N -1 0 317.367 -0.587 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCOCC(F)F ZINC001608155429 1019094900 /nfs/dbraw/zinc/09/49/00/1019094900.db2.gz QZVGAQCMIBQDMB-UHFFFAOYSA-N -1 0 320.252 -0.545 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CC([C@@H]2CCOC2)C1 ZINC001608154973 1019095309 /nfs/dbraw/zinc/09/53/09/1019095309.db2.gz KNCHFOYRZNCCDW-MRVPVSSYSA-N -1 0 322.321 -0.448 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1N ZINC001608156194 1019095416 /nfs/dbraw/zinc/09/54/16/1019095416.db2.gz XCHRVKXXSLGPOT-UYXSQOIJSA-N -1 0 321.337 -0.900 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c1-n1cnnc1 ZINC001608155283 1019095487 /nfs/dbraw/zinc/09/54/87/1019095487.db2.gz HDZWLXMLIGFRPV-ITMYJUKJSA-N -1 0 316.321 -0.016 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1C[C@H](CCO)[C@H](CO)C1 ZINC001608155702 1019095820 /nfs/dbraw/zinc/09/58/20/1019095820.db2.gz SXSDUUOGCIOHRG-IUCAKERBSA-N -1 0 312.326 -0.427 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N[C@H](CO)C1CCC1 ZINC001608155060 1019096021 /nfs/dbraw/zinc/09/60/21/1019096021.db2.gz LYBSGNBXYBZOBV-SECBINFHSA-N -1 0 310.310 -0.666 20 0 DBADRM Cn1nccc1[C@H](O)CNS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001608164610 1019096378 /nfs/dbraw/zinc/09/63/78/1019096378.db2.gz PMRQMZDLKKXHFF-SECBINFHSA-N -1 0 305.356 -0.516 20 0 DBADRM Cn1ncc(CNC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n1 ZINC001608158127 1019096399 /nfs/dbraw/zinc/09/63/99/1019096399.db2.gz XIMNSAGAVBYTOI-TVQRCGJNSA-N -1 0 309.326 -0.552 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)Nc1n[nH]c(CC(=O)[O-])n1)CC2 ZINC001608160118 1019096600 /nfs/dbraw/zinc/09/66/00/1019096600.db2.gz DDDWXCSNVGFTTE-SSDOTTSWSA-N -1 0 304.310 -0.091 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)OC1CC(CC(=O)[O-])C1)c2=O ZINC001608159372 1019096618 /nfs/dbraw/zinc/09/66/18/1019096618.db2.gz PRHNSHKPYAFNCZ-UHFFFAOYSA-N -1 0 320.305 -0.074 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CNC(=O)c1ccccn1)C(=O)[O-] ZINC001608161998 1019097138 /nfs/dbraw/zinc/09/71/38/1019097138.db2.gz BFFNWQUSXMPHEE-GFCCVEGCSA-N -1 0 317.305 -0.513 20 0 DBADRM Cn1nccc1C(=O)CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001608162116 1019097434 /nfs/dbraw/zinc/09/74/34/1019097434.db2.gz FFBXKDQNPVNZMH-ZDUSSCGKSA-N -1 0 308.294 -0.222 20 0 DBADRM Cn1nncc1CNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001608168319 1019099158 /nfs/dbraw/zinc/09/91/58/1019099158.db2.gz QWZQVSPPPHFQJE-MRVPVSSYSA-N -1 0 320.313 -0.739 20 0 DBADRM Cn1nnc2c1CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])nn1)C2 ZINC001608167896 1019099926 /nfs/dbraw/zinc/09/99/26/1019099926.db2.gz KTVRROORAHQBFY-ZETCQYMHSA-N -1 0 317.309 -0.018 20 0 DBADRM Cn1nccc1S(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001608166388 1019100018 /nfs/dbraw/zinc/10/00/18/1019100018.db2.gz IIFWYPJXYDYVOV-SNVBAGLBSA-N -1 0 303.340 -0.734 20 0 DBADRM Cn1nnc(C(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)n1 ZINC001608165383 1019101599 /nfs/dbraw/zinc/10/15/99/1019101599.db2.gz HXVXTCAOMAUCPA-JTQLQIEISA-N -1 0 303.278 -0.299 20 0 DBADRM Cn1nnc2cc(C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)ccc21 ZINC001608168086 1019101642 /nfs/dbraw/zinc/10/16/42/1019101642.db2.gz OCMPIZAULFXETQ-VHSXEESVSA-N -1 0 304.306 -0.124 20 0 DBADRM Cn1nnc2cc(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])ccc21 ZINC001608167447 1019102042 /nfs/dbraw/zinc/10/20/42/1019102042.db2.gz DJQNIHICSWQNJW-VXNVDRBHSA-N -1 0 310.335 -0.033 20 0 DBADRM Cn1nnnc1CN1CC=C(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608170217 1019104059 /nfs/dbraw/zinc/10/40/59/1019104059.db2.gz VTIXRYJUZDYLIC-MNOVXSKESA-N -1 0 320.353 -0.821 20 0 DBADRM Cn1oc(C(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cc1=O ZINC001608169756 1019104188 /nfs/dbraw/zinc/10/41/88/1019104188.db2.gz LATYMHAEUKNIQX-JGVFFNPUSA-N -1 0 323.305 -0.922 20 0 DBADRM NC(=O)[C@@H](F)C1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001608227885 1019114239 /nfs/dbraw/zinc/11/42/39/1019114239.db2.gz IGSHEGKBSVJSSI-VIFPVBQESA-N -1 0 322.358 -0.141 20 0 DBADRM NC(=O)C(=O)N[C@@H]1CCCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001608227531 1019114956 /nfs/dbraw/zinc/11/49/56/1019114956.db2.gz UYYLGVHGLZPATJ-MRVPVSSYSA-N -1 0 307.310 -0.865 20 0 DBADRM NC(=O)CC(=O)N1CCC[C@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001608229067 1019115013 /nfs/dbraw/zinc/11/50/13/1019115013.db2.gz BXISOAQKTDCXKJ-SECBINFHSA-N -1 0 321.337 -0.877 20 0 DBADRM NC(=O)C1(O)CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC001608228993 1019115314 /nfs/dbraw/zinc/11/53/14/1019115314.db2.gz CLVRIECQFUVEOP-UHFFFAOYSA-N -1 0 315.232 -0.273 20 0 DBADRM NC(=O)C(=O)Nc1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c1 ZINC001608227514 1019115361 /nfs/dbraw/zinc/11/53/61/1019115361.db2.gz UCVADWGAECKRGQ-ZJUUUORDSA-N -1 0 321.289 -0.319 20 0 DBADRM NC(=O)[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001608228229 1019115969 /nfs/dbraw/zinc/11/59/69/1019115969.db2.gz OOAHUXVODNNHDS-AXFHLTTASA-N -1 0 312.347 -0.004 20 0 DBADRM NC(=O)[C@H](NC(=O)Cn1ccc(C(=O)[O-])n1)c1ccccc1 ZINC001608227723 1019116698 /nfs/dbraw/zinc/11/66/98/1019116698.db2.gz CYUUMUIWAQRYHD-GFCCVEGCSA-N -1 0 302.290 -0.076 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])C1 ZINC001608230766 1019117744 /nfs/dbraw/zinc/11/77/44/1019117744.db2.gz HJPHFKJPSLXYCJ-LURJTMIESA-N -1 0 311.319 -0.281 20 0 DBADRM NC(=O)[C@@H]1CSCCN1S(=O)(=O)CCCCCC(=O)[O-] ZINC001608229296 1019118746 /nfs/dbraw/zinc/11/87/46/1019118746.db2.gz HJTPLJHVLGKEFB-VIFPVBQESA-N -1 0 324.424 -0.136 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC001608229772 1019119302 /nfs/dbraw/zinc/11/93/02/1019119302.db2.gz OGPXTZKOUQEHDO-JTQLQIEISA-N -1 0 321.289 -0.490 20 0 DBADRM NC(=O)CC1(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1 ZINC001608230123 1019119356 /nfs/dbraw/zinc/11/93/56/1019119356.db2.gz IIDIEROECXBAPS-VIFPVBQESA-N -1 0 311.338 -0.919 20 0 DBADRM NC(=O)[C@]1(O)CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)C1 ZINC001608230710 1019119533 /nfs/dbraw/zinc/11/95/33/1019119533.db2.gz VMAUMQIBRICSCC-AWEZNQCLSA-N -1 0 304.306 -0.317 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001608229377 1019119627 /nfs/dbraw/zinc/11/96/27/1019119627.db2.gz JORXSJQEHZNADI-KHVHVRLGSA-N -1 0 307.262 -0.263 20 0 DBADRM NC(=O)CN1CCC[C@@H](NC(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001608234435 1019121403 /nfs/dbraw/zinc/12/14/03/1019121403.db2.gz GBDYXAVIVKGSCM-GFCCVEGCSA-N -1 0 319.361 -0.007 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2occc2C(=O)[O-])O1 ZINC001608231378 1019121946 /nfs/dbraw/zinc/12/19/46/1019121946.db2.gz GLQCTFYRCMHYJM-POYBYMJQSA-N -1 0 318.307 -0.711 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)Cc2ccc(C(=O)[O-])nc2)O1 ZINC001608231979 1019122967 /nfs/dbraw/zinc/12/29/67/1019122967.db2.gz IZRUADYFDQHOCX-MWLCHTKSSA-N -1 0 307.306 -0.529 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)OCC(=O)NCCC(=O)[O-])C1 ZINC001608233132 1019123309 /nfs/dbraw/zinc/12/33/09/1019123309.db2.gz VSYFZXMNHYEGKY-RKDXNWHRSA-N -1 0 300.311 -0.588 20 0 DBADRM NC(=O)CCn1ccc(N[C@@H]2CCCN(CCC(=O)[O-])C2=O)n1 ZINC001608234880 1019123473 /nfs/dbraw/zinc/12/34/73/1019123473.db2.gz OHXUSSYDAKZCKW-SNVBAGLBSA-N -1 0 323.353 -0.364 20 0 DBADRM NC(=O)CN1CCN(C(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC001608235064 1019123663 /nfs/dbraw/zinc/12/36/63/1019123663.db2.gz SGASGUFUKLYOEO-UHFFFAOYSA-N -1 0 319.361 -0.053 20 0 DBADRM NC(=O)CN1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001608234423 1019123752 /nfs/dbraw/zinc/12/37/52/1019123752.db2.gz FSFHUXPQRFCLJW-UTUOFQBUSA-N -1 0 311.382 -0.057 20 0 DBADRM NC(=O)CC1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC001608232778 1019124092 /nfs/dbraw/zinc/12/40/92/1019124092.db2.gz YYALGVQYXUVWIX-UHFFFAOYSA-N -1 0 323.280 -0.204 20 0 DBADRM NC(=O)N1CCC[C@@H](CNS(=O)(=O)CCCC(=O)[O-])C1 ZINC001608236782 1019125467 /nfs/dbraw/zinc/12/54/67/1019125467.db2.gz HHYXZYMJHKAJQC-VIFPVBQESA-N -1 0 307.372 -0.439 20 0 DBADRM NC(=O)CSCC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001608236318 1019126460 /nfs/dbraw/zinc/12/64/60/1019126460.db2.gz VRIGNMICKJBATI-BDAKNGLRSA-N -1 0 304.368 -0.409 20 0 DBADRM NC(=O)N[C@@H](CC(=O)NC[C@H](O)C(=O)[O-])c1cccs1 ZINC001608238294 1019126483 /nfs/dbraw/zinc/12/64/83/1019126483.db2.gz OUWAGDSVVOCDHH-BQBZGAKWSA-N -1 0 301.324 -0.591 20 0 DBADRM NC(=O)N[C@@H](CC(=O)N[C@H](CO)C(=O)[O-])c1cccs1 ZINC001608238122 1019126747 /nfs/dbraw/zinc/12/67/47/1019126747.db2.gz MPOSVMZLTFEBFX-NKWVEPMBSA-N -1 0 301.324 -0.591 20 0 DBADRM NC(=O)N[C@@H](CC(=O)N1CC[C@](O)(C(=O)[O-])C1)c1ccccc1 ZINC001608237655 1019126864 /nfs/dbraw/zinc/12/68/64/1019126864.db2.gz CAELSQADTRUGTL-XHDPSFHLSA-N -1 0 321.333 -0.166 20 0 DBADRM NC(=O)N[C@H]1CCN(C(=O)Nc2nc3n(c2C(=O)[O-])CCC3)C1 ZINC001608238236 1019127557 /nfs/dbraw/zinc/12/75/57/1019127557.db2.gz OKXTTZYWXQIGBD-ZETCQYMHSA-N -1 0 322.325 -0.198 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001608240797 1019129302 /nfs/dbraw/zinc/12/93/02/1019129302.db2.gz YIMBWYVRISJOEJ-POYBYMJQSA-N -1 0 302.308 -0.090 20 0 DBADRM NC(=O)c1cc(N2C[C@H](C(=O)[O-])C[C@H](O)C2)nc(Cl)n1 ZINC001608241422 1019129865 /nfs/dbraw/zinc/12/98/65/1019129865.db2.gz LREOOIBVYUBRIO-RITPCOANSA-N -1 0 300.702 -0.499 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](N2C(=O)[C@@H]3CC[C@H](C(=O)[O-])CN3C2=O)C1 ZINC001608240149 1019129924 /nfs/dbraw/zinc/12/99/24/1019129924.db2.gz OMXUSPPHEBTFNZ-QEYWKRMJSA-N -1 0 309.322 -0.232 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])O1 ZINC001608239223 1019130313 /nfs/dbraw/zinc/13/03/13/1019130313.db2.gz DISMKBWFZJUNBM-UTUOFQBUSA-N -1 0 306.318 -0.169 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)OCc2nc(C(=O)[O-])cs2)O1 ZINC001608239081 1019130806 /nfs/dbraw/zinc/13/08/06/1019130806.db2.gz ALSOJMJHDHOTCK-RQJHMYQMSA-N -1 0 300.292 -0.083 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@@]2(CC(=O)[O-])CCOC2)O1 ZINC001608240686 1019131278 /nfs/dbraw/zinc/13/12/78/1019131278.db2.gz TVYSETXDJCVINW-ISTVAULSSA-N -1 0 314.338 -0.451 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)nc1 ZINC001608243674 1019132305 /nfs/dbraw/zinc/13/23/05/1019132305.db2.gz XHCYHFKBCDLPEQ-CQSZACIVSA-N -1 0 318.289 -0.374 20 0 DBADRM NC(=O)c1cccc(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n1 ZINC001608245714 1019132409 /nfs/dbraw/zinc/13/24/09/1019132409.db2.gz HDPIRASATZGQAM-HTQZYQBOSA-N -1 0 308.294 -0.520 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC001608244777 1019132476 /nfs/dbraw/zinc/13/24/76/1019132476.db2.gz DOIOQXDDCBNHRE-UHFFFAOYSA-N -1 0 315.289 -0.483 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001608244806 1019133350 /nfs/dbraw/zinc/13/33/50/1019133350.db2.gz AADIDKDPSXHMTD-CMPLNLGQSA-N -1 0 307.306 -0.444 20 0 DBADRM NC(=O)c1ccc(F)c(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC001608244126 1019133385 /nfs/dbraw/zinc/13/33/85/1019133385.db2.gz FYLVXRHBBKDDLE-ZDUSSCGKSA-N -1 0 311.269 -0.022 20 0 DBADRM NC(=O)c1ccc(CN2C(=O)N[C@H](CCC(=O)[O-])C2=O)cn1 ZINC001608244322 1019133427 /nfs/dbraw/zinc/13/34/27/1019133427.db2.gz TXQQRLKMHASZMN-SECBINFHSA-N -1 0 306.278 -0.534 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1 ZINC001608244475 1019133518 /nfs/dbraw/zinc/13/35/18/1019133518.db2.gz DRVCJPZVDGIQIF-YPMHNXCESA-N -1 0 322.317 -0.399 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001608243187 1019134652 /nfs/dbraw/zinc/13/46/52/1019134652.db2.gz QVDLDHYKIAADTD-VHSXEESVSA-N -1 0 307.306 -0.983 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)n1 ZINC001608244964 1019134705 /nfs/dbraw/zinc/13/47/05/1019134705.db2.gz AGZPFVNYFKNGSZ-CYBMUJFWSA-N -1 0 324.268 -0.856 20 0 DBADRM NC(=O)c1ccc(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cn1 ZINC001608244264 1019134944 /nfs/dbraw/zinc/13/49/44/1019134944.db2.gz PNZXSFLSKJUROT-DTORHVGOSA-N -1 0 313.335 -0.537 20 0 DBADRM NC(=O)c1cn(CC(=O)NC[C@@H](O)CC(=O)[O-])c2ccccc12 ZINC001608246782 1019135069 /nfs/dbraw/zinc/13/50/69/1019135069.db2.gz BOFYTRKHGXKREL-VIFPVBQESA-N -1 0 319.317 -0.308 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@@H](C(=O)[O-])c2cccnc2)S1 ZINC001608251116 1019136768 /nfs/dbraw/zinc/13/67/68/1019136768.db2.gz QNUXYDVIXSBJHG-IONNQARKSA-N -1 0 308.319 -0.120 20 0 DBADRM NC(=S)c1ccc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])cc1 ZINC001608248872 1019137806 /nfs/dbraw/zinc/13/78/06/1019137806.db2.gz RCPATFUCGQXEGW-SNVBAGLBSA-N -1 0 319.346 -0.205 20 0 DBADRM NC(=S)c1ccc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])cc1 ZINC001608248871 1019138700 /nfs/dbraw/zinc/13/87/00/1019138700.db2.gz RCPATFUCGQXEGW-JTQLQIEISA-N -1 0 319.346 -0.205 20 0 DBADRM NS(=O)(=O)CCCC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001608259811 1019139380 /nfs/dbraw/zinc/13/93/80/1019139380.db2.gz UEUVPQYLPBGAPB-SECBINFHSA-N -1 0 304.368 -0.232 20 0 DBADRM NS(=O)(=O)Cc1cccc(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])c1 ZINC001608260346 1019140956 /nfs/dbraw/zinc/14/09/56/1019140956.db2.gz LQIUWVWXRDIROB-GHMZBOCLSA-N -1 0 312.347 -0.074 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001608259795 1019141127 /nfs/dbraw/zinc/14/11/27/1019141127.db2.gz TVNRWQLZCRJFDD-LLVKDONJSA-N -1 0 310.347 -0.140 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1 ZINC001608259207 1019141289 /nfs/dbraw/zinc/14/12/89/1019141289.db2.gz XZJUJNONCWLFEP-LWINAJNOSA-N -1 0 317.367 -0.640 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(c2cc(C(=O)[O-])ncn2)C1 ZINC001608259942 1019141689 /nfs/dbraw/zinc/14/16/89/1019141689.db2.gz WMCSWDGFGJVTIS-MRVPVSSYSA-N -1 0 300.340 -0.320 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001608260103 1019141763 /nfs/dbraw/zinc/14/17/63/1019141763.db2.gz CHINQWRFINPPOZ-PTRXPTGYSA-N -1 0 319.383 -0.392 20 0 DBADRM NS(=O)(=O)CCCC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC001608259813 1019142134 /nfs/dbraw/zinc/14/21/34/1019142134.db2.gz UFLRVBGFADRKBM-LURJTMIESA-N -1 0 300.283 -0.624 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])co1 ZINC001608261700 1019143531 /nfs/dbraw/zinc/14/35/31/1019143531.db2.gz BPKWSCZMTUKRON-JGVFFNPUSA-N -1 0 302.308 -0.090 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)s1 ZINC001608262840 1019144292 /nfs/dbraw/zinc/14/42/92/1019144292.db2.gz DXUMCWNIGFNMQW-YUMQZZPRSA-N -1 0 320.392 -0.337 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2CC(=O)[O-])ccn1 ZINC001608260914 1019144754 /nfs/dbraw/zinc/14/47/54/1019144754.db2.gz CGIGHWBURGCMIL-SECBINFHSA-N -1 0 313.335 -0.192 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)cs1 ZINC001608261269 1019144918 /nfs/dbraw/zinc/14/49/18/1019144918.db2.gz PJKPZBRDNWZPJX-SNVBAGLBSA-N -1 0 320.348 -0.943 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)O[C@@H](C(=O)[O-])C2CC2)C1 ZINC001608261069 1019145332 /nfs/dbraw/zinc/14/53/32/1019145332.db2.gz KLHOEJVFRZAPPR-DTWKUNHWSA-N -1 0 306.340 -0.692 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCCOCC(=O)[O-])cc1 ZINC001608261572 1019145585 /nfs/dbraw/zinc/14/55/85/1019145585.db2.gz MNNKTQZOBOTXJS-UHFFFAOYSA-N -1 0 302.308 -0.835 20 0 DBADRM NS(=O)(=O)c1cn(CC(=O)c2ccc(C(=O)[O-])cc2)nn1 ZINC001608264399 1019147482 /nfs/dbraw/zinc/14/74/82/1019147482.db2.gz VYCZPONIUNXGLI-UHFFFAOYSA-N -1 0 310.291 -0.493 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)NCCOCC(=O)[O-] ZINC001608277643 1019147540 /nfs/dbraw/zinc/14/75/40/1019147540.db2.gz LRKUOHSIKMTZRC-UHFFFAOYSA-N -1 0 308.298 -0.984 20 0 DBADRM Nc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1 ZINC001608273315 1019148459 /nfs/dbraw/zinc/14/84/59/1019148459.db2.gz KBIBDURLVIEPKH-WCBMZHEXSA-N -1 0 300.336 -0.275 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCSC[C@H]1C(=O)[O-] ZINC001608268633 1019149846 /nfs/dbraw/zinc/14/98/46/1019149846.db2.gz KMWVVMANVDVQCY-BYPYZUCNSA-N -1 0 300.296 -0.888 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)/C=C\c1cncc(O)c1 ZINC001608288942 1019151269 /nfs/dbraw/zinc/15/12/69/1019151269.db2.gz QXJPSQWTMYAMGA-BVBSBALXSA-N -1 0 303.278 -0.339 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N2CCc3c2cccc3Cl)C1 ZINC001608278762 1019151504 /nfs/dbraw/zinc/15/15/04/1019151504.db2.gz LPEVVOYFUGDBCM-UHFFFAOYSA-N -1 0 324.720 -0.113 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)C(=O)N1CC[C@@]3(O)C[C@H]3C1)CC2 ZINC001608279197 1019151817 /nfs/dbraw/zinc/15/18/17/1019151817.db2.gz QJNVBZGFRYSIQM-KTQGLZRJSA-N -1 0 322.361 -0.175 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)C1 ZINC001608289768 1019152142 /nfs/dbraw/zinc/15/21/42/1019152142.db2.gz DBVHADMQZLTPIL-BYPYZUCNSA-N -1 0 306.529 -0.235 20 0 DBADRM O=C(C=CCN1CCOCC1)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001608280547 1019152408 /nfs/dbraw/zinc/15/24/08/1019152408.db2.gz AMCPVUINKNGKPA-YYRQZUAOSA-N -1 0 308.338 -0.590 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)C=C2CCC2)n1 ZINC001608283163 1019152575 /nfs/dbraw/zinc/15/25/75/1019152575.db2.gz ODWQYFVNTISVFM-JTQLQIEISA-N -1 0 306.322 -0.404 20 0 DBADRM O=C([O-])C1CCN(C(=O)COC(=O)/C=C/Cn2cncn2)CC1 ZINC001608281718 1019152800 /nfs/dbraw/zinc/15/28/00/1019152800.db2.gz MCYVCTDTNDOBHX-OWOJBTEDSA-N -1 0 322.321 -0.299 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)/C=C/C1CC1 ZINC001608283193 1019152872 /nfs/dbraw/zinc/15/28/72/1019152872.db2.gz OYUWFSQMMQHMMK-LXYZTQFVSA-N -1 0 310.350 -0.390 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)CC(F)(F)F)n1 ZINC001608289456 1019152883 /nfs/dbraw/zinc/15/28/83/1019152883.db2.gz YROCGWFKFMVEIV-ZCFIWIBFSA-N -1 0 322.243 -0.562 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001608299202 1019154232 /nfs/dbraw/zinc/15/42/32/1019154232.db2.gz OZVHDHRALQPBNY-AWEZNQCLSA-N -1 0 314.338 -0.767 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC001608308539 1019155666 /nfs/dbraw/zinc/15/56/66/1019155666.db2.gz VZVGUJBHRBZTLY-NSHDSACASA-N -1 0 320.301 -0.376 20 0 DBADRM O=C([O-])[C@H](CCF)NC(=O)CCN1C(=O)CCNC1=S ZINC001608309287 1019156211 /nfs/dbraw/zinc/15/62/11/1019156211.db2.gz LVGZVZKJGDWBDR-ZETCQYMHSA-N -1 0 305.331 -0.588 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)C[C@H]2COC(=O)C2)n1 ZINC001608297532 1019156767 /nfs/dbraw/zinc/15/67/67/1019156767.db2.gz SHBQIFZQKXLADX-SECBINFHSA-N -1 0 322.321 -0.532 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCCCc1c[nH][nH]c1=O ZINC001608313270 1019157738 /nfs/dbraw/zinc/15/77/38/1019157738.db2.gz FKSHRQHJRAUMQN-OUAUKWLOSA-N -1 0 311.338 -0.116 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC001608325577 1019158059 /nfs/dbraw/zinc/15/80/59/1019158059.db2.gz NRDHQUKETIDFHN-HFBDOXOYSA-N -1 0 324.333 -0.790 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCc1nc(-c2ccncc2)no1 ZINC001608321504 1019158179 /nfs/dbraw/zinc/15/81/79/1019158179.db2.gz XTHSBBKFMZIUJN-VIFPVBQESA-N -1 0 306.278 -0.374 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)NCC2(O)CCOCC2)C1 ZINC001608313518 1019158247 /nfs/dbraw/zinc/15/82/47/1019158247.db2.gz UXLWGVKBDARXNO-WDEREUQCSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)CCN2C(=O)CCNC2=S)C1 ZINC001608309679 1019158502 /nfs/dbraw/zinc/15/85/02/1019158502.db2.gz VOKFCTFGICRZFR-VIFPVBQESA-N -1 0 311.363 -0.227 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)NC2CC(CO)(CO)C2)C1 ZINC001608313424 1019158857 /nfs/dbraw/zinc/15/88/57/1019158857.db2.gz OVSRUSDDAGJXPU-GXSJLCMTSA-N -1 0 301.339 -0.494 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)N[C@@H]1CCc2nnnn2CC1 ZINC001608313384 1019158915 /nfs/dbraw/zinc/15/89/15/1019158915.db2.gz MHOYDRXHKIEOFB-HBNTYKKESA-N -1 0 323.353 -0.236 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC001608322599 1019159018 /nfs/dbraw/zinc/15/90/18/1019159018.db2.gz QEDLGPAYZBQTCY-MRVPVSSYSA-N -1 0 316.335 -0.001 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)CCc2cn[nH]n2)CC1 ZINC001608317391 1019159220 /nfs/dbraw/zinc/15/92/20/1019159220.db2.gz WWOMKTTVRYRCHI-ZJUUUORDSA-N -1 0 321.337 -0.777 20 0 DBADRM O=C([O-])C1(C2(O)CCN(C(=O)CCn3cnnn3)CC2)CCC1 ZINC001608325255 1019159992 /nfs/dbraw/zinc/15/99/92/1019159992.db2.gz PVEGWXUSTJDIME-UHFFFAOYSA-N -1 0 323.353 -0.328 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)CN1c2ccccc2OCCC1=O ZINC001608326264 1019161110 /nfs/dbraw/zinc/16/11/10/1019161110.db2.gz KSYGEQLPJAQMLG-NSHDSACASA-N -1 0 322.317 -0.246 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(CC(=O)Nc3cccnn3)C2)C1 ZINC001608329509 1019161599 /nfs/dbraw/zinc/16/15/99/1019161599.db2.gz SBURMWKPCGFBIH-CYBMUJFWSA-N -1 0 305.294 -0.280 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)CN1CCC(CO)CC1 ZINC001608328001 1019161855 /nfs/dbraw/zinc/16/18/55/1019161855.db2.gz XAKYQQYAYKZCAI-GFCCVEGCSA-N -1 0 310.354 -0.774 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(CC(=O)Nc3ccncc3)C2)nn1 ZINC001608328894 1019162222 /nfs/dbraw/zinc/16/22/22/1019162222.db2.gz DQNIFEKVRJMQIP-NSHDSACASA-N -1 0 316.321 -0.321 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NCCCn2ccnc2)C1=O ZINC001608329640 1019162289 /nfs/dbraw/zinc/16/22/89/1019162289.db2.gz FZQURPJUBGCMSS-NSHDSACASA-N -1 0 308.338 -0.287 20 0 DBADRM O=C([O-])[C@]1(O)CCN(CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC001608327001 1019162686 /nfs/dbraw/zinc/16/26/86/1019162686.db2.gz JWNAQADMJRKPOU-WBMJQRKESA-N -1 0 320.345 -0.372 20 0 DBADRM O=C(CN1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1)NC1CC1 ZINC001608326959 1019162782 /nfs/dbraw/zinc/16/27/82/1019162782.db2.gz IIMSAJFHFHPVEQ-NEPJUHHUSA-N -1 0 309.366 -0.434 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)OCCN1CCCC1=O ZINC001608333030 1019163420 /nfs/dbraw/zinc/16/34/20/1019163420.db2.gz PKWAMOLLBVUMDS-JTQLQIEISA-N -1 0 312.322 -0.525 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NC2(C(F)F)OCCO2)C1=O ZINC001608331626 1019164083 /nfs/dbraw/zinc/16/40/83/1019164083.db2.gz VLDSBNKIAQJAEY-SSDOTTSWSA-N -1 0 322.264 -0.609 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)OCCN1CCCC1=O ZINC001608333031 1019164571 /nfs/dbraw/zinc/16/45/71/1019164571.db2.gz PKWAMOLLBVUMDS-SNVBAGLBSA-N -1 0 312.322 -0.525 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CCS(=O)(=O)CC2)n1 ZINC001608336659 1019164652 /nfs/dbraw/zinc/16/46/52/1019164652.db2.gz ZQXAPDINKQXKCQ-UHFFFAOYSA-N -1 0 313.335 -0.551 20 0 DBADRM O=C(CN1CCCCC(=O)C1=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001608331974 1019164771 /nfs/dbraw/zinc/16/47/71/1019164771.db2.gz ZMQARRFSYOJEHS-CQSZACIVSA-N -1 0 312.322 -0.825 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NC2(C(F)F)OCCO2)C1=O ZINC001608331627 1019164778 /nfs/dbraw/zinc/16/47/78/1019164778.db2.gz VLDSBNKIAQJAEY-ZETCQYMHSA-N -1 0 322.264 -0.609 20 0 DBADRM O=C(CNC(=O)C1CC1)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001608337539 1019164952 /nfs/dbraw/zinc/16/49/52/1019164952.db2.gz IDJQZBISGCOCAR-VIFPVBQESA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])c1cnn(CC(=O)OCC(=O)NC(=O)NC2CC2)c1 ZINC001608344915 1019166035 /nfs/dbraw/zinc/16/60/35/1019166035.db2.gz VZIOUGOBDONTFN-UHFFFAOYSA-N -1 0 310.266 -0.887 20 0 DBADRM O=C([O-])c1cnc(NCCCNC(=O)CO[C@H]2CCOC2)nc1 ZINC001608346880 1019167282 /nfs/dbraw/zinc/16/72/82/1019167282.db2.gz IDJBATNVSGAVPI-NSHDSACASA-N -1 0 324.337 -0.102 20 0 DBADRM O=C([O-])[C@@]1(NCC(=O)N2CCO[C@H]3CCCC[C@H]32)CCOC1 ZINC001608339212 1019167327 /nfs/dbraw/zinc/16/73/27/1019167327.db2.gz NPJSKWHXOTUMMH-TYNCELHUSA-N -1 0 312.366 -0.010 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC001608352772 1019167593 /nfs/dbraw/zinc/16/75/93/1019167593.db2.gz LZNIEZXFBKLCHW-SECBINFHSA-N -1 0 321.738 -0.325 20 0 DBADRM O=C(COC(=O)C12CC(C(=O)[O-])(C1)C2)NCC(=O)N1CCCC1 ZINC001608345666 1019167760 /nfs/dbraw/zinc/16/77/60/1019167760.db2.gz HUWSDVWWTSLPQB-UHFFFAOYSA-N -1 0 324.333 -0.477 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CSCC(=O)N1CCCCC1 ZINC001608353780 1019169102 /nfs/dbraw/zinc/16/91/02/1019169102.db2.gz BELLLXBZFZYJDG-SECBINFHSA-N -1 0 304.368 -0.706 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)Cc2c[nH]cn2)CC1 ZINC001608369829 1019169225 /nfs/dbraw/zinc/16/92/25/1019169225.db2.gz IBINLMZORWCIEL-NXEZZACHSA-N -1 0 306.322 -0.562 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)Cc1cccnc1Br ZINC001608367880 1019169488 /nfs/dbraw/zinc/16/94/88/1019169488.db2.gz BJKNXXSDPQFROM-ZETCQYMHSA-N -1 0 303.112 -0.052 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CC1C(=O)N=CNC1=O)[C@@H]1CCOC1 ZINC001608357189 1019170073 /nfs/dbraw/zinc/17/00/73/1019170073.db2.gz FHMCGVMMPDEDAX-VXNVDRBHSA-N -1 0 311.294 -0.716 20 0 DBADRM O=C([O-])c1cccc(CC(=O)NCCN2C(=O)CNC2=O)c1 ZINC001608364567 1019170336 /nfs/dbraw/zinc/17/03/36/1019170336.db2.gz SYYBSGVPEUUGHF-UHFFFAOYSA-N -1 0 305.290 -0.405 20 0 DBADRM O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001608356672 1019170347 /nfs/dbraw/zinc/17/03/47/1019170347.db2.gz SNJFBTHEVCKJEH-ZJUUUORDSA-N -1 0 320.305 -0.961 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NC[C@@H](O)Cn2ccnn2)cn1 ZINC001608361871 1019170431 /nfs/dbraw/zinc/17/04/31/1019170431.db2.gz HEBBVOKJNFJEOO-SNVBAGLBSA-N -1 0 305.294 -0.909 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1F ZINC001608356067 1019170484 /nfs/dbraw/zinc/17/04/84/1019170484.db2.gz CBRVVUCEXGIYDM-WCBMZHEXSA-N -1 0 309.253 -0.334 20 0 DBADRM O=C([O-])[C@H](CCF)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC001608354585 1019170665 /nfs/dbraw/zinc/17/06/65/1019170665.db2.gz QIOOAAYVUTZVSH-SFYZADRCSA-N -1 0 313.372 -0.164 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)CSc2cccc[n+]2[O-])nn1 ZINC001608354749 1019170923 /nfs/dbraw/zinc/17/09/23/1019170923.db2.gz QVAWUUOUSUEWOH-UHFFFAOYSA-N -1 0 323.334 -0.482 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)nn1 ZINC001608375349 1019172503 /nfs/dbraw/zinc/17/25/03/1019172503.db2.gz CJLKZULSEVUHNW-RNCFNFMXSA-N -1 0 310.310 -0.569 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001608371605 1019173497 /nfs/dbraw/zinc/17/34/97/1019173497.db2.gz OHWPBIGDCIKAQT-QCLAVDOMSA-N -1 0 306.322 -0.564 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)Cc2nc3ncccn3n2)C1(F)F ZINC001608371913 1019173590 /nfs/dbraw/zinc/17/35/90/1019173590.db2.gz YJEJCGZJLBAKIO-RCOVLWMOSA-N -1 0 311.248 -0.251 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)C1(F)F ZINC001608377384 1019174991 /nfs/dbraw/zinc/17/49/91/1019174991.db2.gz VMIKMWGLYXEMBV-XNCJUZBTSA-N -1 0 303.221 -0.969 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCc2cn3c(n2)SCC3)nn1 ZINC001608376883 1019175004 /nfs/dbraw/zinc/17/50/04/1019175004.db2.gz WERKPGMRTMUJGT-UHFFFAOYSA-N -1 0 322.350 -0.363 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)Cn1nnc2c1CCCC2 ZINC001608381154 1019176463 /nfs/dbraw/zinc/17/64/63/1019176463.db2.gz DWRIDIUJTVREMA-LLVKDONJSA-N -1 0 318.337 -0.308 20 0 DBADRM O=C([O-])c1ccc(=O)n(CC(=O)NC(=O)NC2CCCC2)n1 ZINC001608383141 1019176933 /nfs/dbraw/zinc/17/69/33/1019176933.db2.gz WRLVFWQXVRKFPN-UHFFFAOYSA-N -1 0 308.294 -0.290 20 0 DBADRM O=C([O-])C1(NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC(CO)C1 ZINC001608402062 1019177830 /nfs/dbraw/zinc/17/78/30/1019177830.db2.gz QBPSSRIAHJOKPN-UHFFFAOYSA-N -1 0 317.363 -0.847 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1cc2n(n1)CCCC2 ZINC001608401504 1019177894 /nfs/dbraw/zinc/17/78/94/1019177894.db2.gz COLUFPTUKLZNDW-NSHDSACASA-N -1 0 304.310 -0.306 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1ncc2ccccn21 ZINC001608402422 1019178472 /nfs/dbraw/zinc/17/84/72/1019178472.db2.gz SYBZFLBAFFAQRP-SNVBAGLBSA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)c1ccnc(CO)c1 ZINC001608397736 1019179194 /nfs/dbraw/zinc/17/91/94/1019179194.db2.gz TUTIXWBAJWFOIL-LLVKDONJSA-N -1 0 310.306 -0.090 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001608402650 1019179310 /nfs/dbraw/zinc/17/93/10/1019179310.db2.gz JNASUAIACRDGHW-KCJUWKMLSA-N -1 0 304.310 -0.624 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2csc(=O)[nH]2)C1 ZINC001608413704 1019181795 /nfs/dbraw/zinc/18/17/95/1019181795.db2.gz CHPPVAZOSCAHJV-BQBZGAKWSA-N -1 0 311.319 -0.490 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)CNC(=O)c1cccc(O)c1 ZINC001608414337 1019181986 /nfs/dbraw/zinc/18/19/86/1019181986.db2.gz AMMQPOKVVZXKLC-WCQYABFASA-N -1 0 322.317 -0.442 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)N[C@@H]2CC=CCC2)CC1 ZINC001608408702 1019182096 /nfs/dbraw/zinc/18/20/96/1019182096.db2.gz JMTOTUDOJQNKBX-VXGBXAGGSA-N -1 0 310.350 -0.105 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2ccc(F)cn2)C1 ZINC001608414057 1019182463 /nfs/dbraw/zinc/18/24/63/1019182463.db2.gz PGGAJYJNONHYRO-UWVGGRQHSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C2CCC(NC(=O)C3CC3)CC2)C1 ZINC001608408707 1019182598 /nfs/dbraw/zinc/18/25/98/1019182598.db2.gz JTTYCRSDPYYSFZ-UHFFFAOYSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2=COCCO2)CC1 ZINC001608409593 1019183216 /nfs/dbraw/zinc/18/32/16/1019183216.db2.gz DLCYGOWNNBVPDE-MNOVXSKESA-N -1 0 324.333 -0.298 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C(=O)N[C@H]3CCOC3)C[C@H]1CCCC2 ZINC001608412640 1019183363 /nfs/dbraw/zinc/18/33/63/1019183363.db2.gz ISUVPFIUCYUGQE-JRPNMDOOSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N[C@H]2CCCc3sccc32)C1 ZINC001608410914 1019183426 /nfs/dbraw/zinc/18/34/26/1019183426.db2.gz JISMNSBVNGDFFU-VIFPVBQESA-N -1 0 324.358 -0.100 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@@H]2C(=O)NCC23CCOCC3)c[nH]1 ZINC001608408249 1019183490 /nfs/dbraw/zinc/18/34/90/1019183490.db2.gz RECZFPAIMQFVAU-SNVBAGLBSA-N -1 0 307.306 -0.262 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CNC(=O)c2ccn[nH]2)C2CC2)n1 ZINC001608425131 1019184275 /nfs/dbraw/zinc/18/42/75/1019184275.db2.gz SKLMRMWANBQVMN-JTQLQIEISA-N -1 0 316.321 -0.060 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCC23CCC(CC2)C3)C1 ZINC001608429096 1019184619 /nfs/dbraw/zinc/18/46/19/1019184619.db2.gz NJTRFRQPEKZLLY-LZUBYRBGSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)c2ccc(-c3nn[nH]n3)cn2)CCOC1 ZINC001608430720 1019184834 /nfs/dbraw/zinc/18/48/34/1019184834.db2.gz SLJMXEVEAWGSQE-ZDUSSCGKSA-N -1 0 318.293 -0.517 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCOC1 ZINC001608415284 1019185354 /nfs/dbraw/zinc/18/53/54/1019185354.db2.gz FNSKZRPCMQHYIS-AXFHLTTASA-N -1 0 319.379 -0.335 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2ccn[nH]2)CCC1 ZINC001608429826 1019185533 /nfs/dbraw/zinc/18/55/33/1019185533.db2.gz FXMQCZUDVHZKEZ-DTWKUNHWSA-N -1 0 306.322 -0.101 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C1CCS(=O)(=O)CC1)[C@@H]1CCOC1 ZINC001608419713 1019185696 /nfs/dbraw/zinc/18/56/96/1019185696.db2.gz YDEIKIIRMAVPAR-GHMZBOCLSA-N -1 0 319.379 -0.335 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CC(=O)N(C2CC2)C1)[C@H]1CCOC1 ZINC001608416032 1019185972 /nfs/dbraw/zinc/18/59/72/1019185972.db2.gz MHIPARGYSGUXQX-NHCYSSNCSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CNC(=O)c2cn[nH]n2)C2CC2)n1 ZINC001608424391 1019186283 /nfs/dbraw/zinc/18/62/83/1019186283.db2.gz MXVCHKNPXSYKNF-MRVPVSSYSA-N -1 0 317.309 -0.665 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C(=O)NCC3CCC3)C[C@H]1COCC2 ZINC001608436618 1019187341 /nfs/dbraw/zinc/18/73/41/1019187341.db2.gz XKKQRVPBEIGVPP-XHDPSFHLSA-N -1 0 310.350 -0.148 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC001608431893 1019187393 /nfs/dbraw/zinc/18/73/93/1019187393.db2.gz HQZFTRJYZPUFLP-WRWGMCAJSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001608432377 1019187486 /nfs/dbraw/zinc/18/74/86/1019187486.db2.gz LUSPCZSXUAQTJV-MJDLHHQISA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2n[nH]cc2F)C1 ZINC001608438054 1019187573 /nfs/dbraw/zinc/18/75/73/1019187573.db2.gz GJANIFGZQKNOAK-SFYZADRCSA-N -1 0 310.285 -0.542 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2cnns2)C1 ZINC001608438743 1019188711 /nfs/dbraw/zinc/18/87/11/1019188711.db2.gz MEBMADREFHFVPG-JGVFFNPUSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2cnns2)C1 ZINC001608438744 1019188931 /nfs/dbraw/zinc/18/89/31/1019188931.db2.gz MEBMADREFHFVPG-SFYZADRCSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC=C(CNC(=O)c2nnc[nH]2)CC1 ZINC001608432361 1019189355 /nfs/dbraw/zinc/18/93/55/1019189355.db2.gz LGDAEQBROZSAIY-NXEZZACHSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001608439433 1019189545 /nfs/dbraw/zinc/18/95/45/1019189545.db2.gz UCPLYGVHVKSCQK-GHMZBOCLSA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCNC(=O)C2CC2)CCC1 ZINC001608445776 1019190609 /nfs/dbraw/zinc/19/06/09/1019190609.db2.gz HPKKTAOYIZIOKJ-UHFFFAOYSA-N -1 0 304.368 -0.313 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NCCS(=O)(=O)N1CCCC1 ZINC001608449680 1019190656 /nfs/dbraw/zinc/19/06/56/1019190656.db2.gz ZYDAVHUQOIBUKX-NXEZZACHSA-N -1 0 319.383 -0.568 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCCc2cccc3c2OCCO3)C1 ZINC001608451959 1019191102 /nfs/dbraw/zinc/19/11/02/1019191102.db2.gz ZFYKRVPGIMEXLZ-UHFFFAOYSA-N -1 0 322.317 -0.159 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NCCc2ccco2)C1 ZINC001608454522 1019191572 /nfs/dbraw/zinc/19/15/72/1019191572.db2.gz KPRUNIWQTVJPLT-UWVGGRQHSA-N -1 0 310.306 -0.768 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)NCCC2CCC2)CC1 ZINC001608440721 1019191637 /nfs/dbraw/zinc/19/16/37/1019191637.db2.gz MTCDPCWWDVYKSN-LBPRGKRZSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC001608440422 1019191719 /nfs/dbraw/zinc/19/17/19/1019191719.db2.gz DEVUUQOPVOODJA-ZOLYEBIHSA-N -1 0 324.377 -0.167 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CO)[C@H]1CCCOC1 ZINC001608458309 1019192163 /nfs/dbraw/zinc/19/21/63/1019192163.db2.gz ICDHHXFUCQTVKZ-WRWGMCAJSA-N -1 0 316.354 -0.437 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@]12C[C@H]1COC21CCC1 ZINC001608456777 1019192298 /nfs/dbraw/zinc/19/22/98/1019192298.db2.gz BTWWGANSXDZRON-MWODSPESSA-N -1 0 314.313 -0.399 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001608460190 1019192460 /nfs/dbraw/zinc/19/24/60/1019192460.db2.gz BBSMWGSFDIZSCX-DBIOUOCHSA-N -1 0 324.333 -0.394 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC001608456744 1019192762 /nfs/dbraw/zinc/19/27/62/1019192762.db2.gz ATENGJNSPSSJHM-GUBZILKMSA-N -1 0 302.302 -0.447 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCCC[C@@H]1C1OCCO1 ZINC001608456994 1019193334 /nfs/dbraw/zinc/19/33/34/1019193334.db2.gz GKEIBAOQDGYMPW-DTWKUNHWSA-N -1 0 318.301 -0.721 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC001608461037 1019194089 /nfs/dbraw/zinc/19/40/89/1019194089.db2.gz QYOMLNGVJWRPJH-GJMOJQLCSA-N -1 0 306.265 -0.948 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC001608461749 1019194118 /nfs/dbraw/zinc/19/41/18/1019194118.db2.gz ZZGFCXRFIPPSRQ-VDDIYKPWSA-N -1 0 311.338 -0.461 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)C1 ZINC001608491048 1019195132 /nfs/dbraw/zinc/19/51/32/1019195132.db2.gz PBWNZEVFEYMRRX-UKKRHICBSA-N -1 0 316.379 -0.074 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2cccnn2)C1 ZINC001608492225 1019195157 /nfs/dbraw/zinc/19/51/57/1019195157.db2.gz WSZVTMLCNZYVFH-RGOKHQFPSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CC(c2ccccn2)=NO1 ZINC001608488509 1019195248 /nfs/dbraw/zinc/19/52/48/1019195248.db2.gz WVTDEYDJGCABDF-ZMLRMANQSA-N -1 0 305.290 -0.067 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001608487309 1019195498 /nfs/dbraw/zinc/19/54/98/1019195498.db2.gz BHEGOYJEGOQRLW-PJSNJIKXSA-N -1 0 324.377 -0.025 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001608492443 1019196378 /nfs/dbraw/zinc/19/63/78/1019196378.db2.gz GBWFMABTDFKBQC-FNCVBFRFSA-N -1 0 307.310 -0.850 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccncn2)C1 ZINC001608491474 1019196815 /nfs/dbraw/zinc/19/68/15/1019196815.db2.gz IPGLGMDHWIVELR-JXUBOQSCSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2C[C@H](NC(=O)c3cncnc3)C2)n1 ZINC001608491359 1019196898 /nfs/dbraw/zinc/19/68/98/1019196898.db2.gz AXRZPOBLOSNQLJ-AOOOYVTPSA-N -1 0 314.305 -0.240 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)c2cnon2)CC1 ZINC001608489160 1019197380 /nfs/dbraw/zinc/19/73/80/1019197380.db2.gz MNHKFKAMBCERCE-ZYUZMQFOSA-N -1 0 322.321 -0.053 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)N1C[C@H](CO)[C@@H](CCO)C1)C2 ZINC001608492066 1019197696 /nfs/dbraw/zinc/19/76/96/1019197696.db2.gz UAVXZVFLBJMTRB-AATHHKPASA-N -1 0 312.366 -0.128 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)C1(O)Cc2ccccc2C1 ZINC001608536663 1019200066 /nfs/dbraw/zinc/20/00/66/1019200066.db2.gz PIJAUXWQEBJLNG-LBPRGKRZSA-N -1 0 321.329 -0.151 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)[C@@H]1CCCn2ncnc21 ZINC001608534591 1019201327 /nfs/dbraw/zinc/20/13/27/1019201327.db2.gz FVMUPROQGJMPIK-RKDXNWHRSA-N -1 0 310.310 -0.512 20 0 DBADRM O=C([O-])[C@H](CNS(=O)(=O)C[C@H]1CCOC1)[C@@H]1CCOC1 ZINC001608539227 1019201921 /nfs/dbraw/zinc/20/19/21/1019201921.db2.gz YBKOLJRZRIKCBB-HBNTYKKESA-N -1 0 307.368 -0.320 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)NCCN2CCOCC2)CC1 ZINC001608553998 1019203047 /nfs/dbraw/zinc/20/30/47/1019203047.db2.gz FCUOOCHTUQJRPP-LBPRGKRZSA-N -1 0 315.370 -0.814 20 0 DBADRM O=C([O-])C1(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001608569703 1019203701 /nfs/dbraw/zinc/20/37/01/1019203701.db2.gz NZMLXXHIJAAKEY-LLVKDONJSA-N -1 0 302.396 -0.344 20 0 DBADRM O=C([O-])C1(C(=O)N2CC[C@H](OCCN3CCOCC3)C2)CC1 ZINC001608564360 1019204883 /nfs/dbraw/zinc/20/48/83/1019204883.db2.gz AKMOUSZUTLYACZ-LBPRGKRZSA-N -1 0 312.366 -0.199 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)NCCN2CCCC2=O)CC1 ZINC001608553893 1019205111 /nfs/dbraw/zinc/20/51/11/1019205111.db2.gz CXUHXPFKNOMXHL-GFCCVEGCSA-N -1 0 313.354 -0.524 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(S(=O)(=O)c2c[nH]nc2Cl)CC1 ZINC001608556412 1019205396 /nfs/dbraw/zinc/20/53/96/1019205396.db2.gz AMLSVYOBDPYDFZ-MRVPVSSYSA-N -1 0 323.758 -0.091 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)CC2CS(=O)(=O)C2)CC1 ZINC001608554264 1019205478 /nfs/dbraw/zinc/20/54/78/1019205478.db2.gz ONSXTBASOINLKN-NSHDSACASA-N -1 0 305.352 -0.895 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C2=CCS(=O)(=O)C2)CC1 ZINC001608553559 1019205908 /nfs/dbraw/zinc/20/59/08/1019205908.db2.gz JDPWRASXVMTMLJ-JTQLQIEISA-N -1 0 303.336 -0.975 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(S(=O)(=O)CCn2cccn2)CC1 ZINC001608557520 1019205944 /nfs/dbraw/zinc/20/59/44/1019205944.db2.gz NCRSZNHVNZZCNH-LLVKDONJSA-N -1 0 317.367 -0.630 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCOCCO)CCCCC1 ZINC001608574255 1019207429 /nfs/dbraw/zinc/20/74/29/1019207429.db2.gz WHWXUYIIZWLFDL-UHFFFAOYSA-N -1 0 309.384 -0.050 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001608579655 1019207865 /nfs/dbraw/zinc/20/78/65/1019207865.db2.gz OLNGXJHLPTWHCW-UHFFFAOYSA-N -1 0 315.303 -0.722 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCOC[C@H]2CCOC2)CC1 ZINC001608573260 1019207909 /nfs/dbraw/zinc/20/79/09/1019207909.db2.gz BOPNCFBXKFAZHG-JTQLQIEISA-N -1 0 307.368 -0.176 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)c2cnn(CC3CC3)c2)C1 ZINC001608579480 1019208593 /nfs/dbraw/zinc/20/85/93/1019208593.db2.gz JWDBBTZBLJAORY-UHFFFAOYSA-N -1 0 301.324 -0.887 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCN(CCO)CC2)CCC1 ZINC001608572831 1019208622 /nfs/dbraw/zinc/20/86/22/1019208622.db2.gz UGZVKIBBRFVGDZ-UHFFFAOYSA-N -1 0 306.384 -0.819 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NC[C@@H]2CCCCN2CCO)CCC1 ZINC001608581385 1019209355 /nfs/dbraw/zinc/20/93/55/1019209355.db2.gz YSEFXZCSTLVFDZ-NSHDSACASA-N -1 0 320.411 -0.240 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@H]2CCCS2(=O)=O)CC1 ZINC001608573337 1019209604 /nfs/dbraw/zinc/20/96/04/1019209604.db2.gz HHBYCBQBTMYFDS-MRVPVSSYSA-N -1 0 311.381 -0.652 20 0 DBADRM O=C([O-])C12CC(C(=O)N3CCN(CCn4cncn4)CC3)(C1)C2 ZINC001608580312 1019209827 /nfs/dbraw/zinc/20/98/27/1019209827.db2.gz AOJCLXMTHVIRFB-UHFFFAOYSA-N -1 0 319.365 -0.323 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CC(OCC(F)F)C2)C1 ZINC001608585495 1019211348 /nfs/dbraw/zinc/21/13/48/1019211348.db2.gz BHQMAUZLFDWBFY-MRVPVSSYSA-N -1 0 318.276 -0.232 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)C(=O)NCC(F)F)C2)C1 ZINC001608590457 1019211628 /nfs/dbraw/zinc/21/16/28/1019211628.db2.gz CPNCDKRQYHDHBP-LLVKDONJSA-N -1 0 305.237 -0.800 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C2OCCO2)C1 ZINC001608587981 1019212676 /nfs/dbraw/zinc/21/26/76/1019212676.db2.gz YEVNZGVANQBYBJ-WDEREUQCSA-N -1 0 324.333 -0.360 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)NCCOCC(F)F)C1 ZINC001608585474 1019213554 /nfs/dbraw/zinc/21/35/54/1019213554.db2.gz AUGWMADEJHHTLT-MRVPVSSYSA-N -1 0 306.265 -0.326 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 ZINC001608589809 1019213736 /nfs/dbraw/zinc/21/37/36/1019213736.db2.gz RYMMFHSTJWNLNL-ZDUSSCGKSA-N -1 0 310.310 -0.766 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)CSc2nncs2)C1 ZINC001608602014 1019214824 /nfs/dbraw/zinc/21/48/24/1019214824.db2.gz OAVVOSIRXMZFEQ-RNFRBKRXSA-N -1 0 303.365 -0.076 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)CSc2nncs2)C1 ZINC001608602013 1019215144 /nfs/dbraw/zinc/21/51/44/1019215144.db2.gz OAVVOSIRXMZFEQ-NKWVEPMBSA-N -1 0 303.365 -0.076 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2cnc3nccnc3c2)C1 ZINC001608601702 1019215372 /nfs/dbraw/zinc/21/53/72/1019215372.db2.gz MCQKWTOZDSHPRQ-ZJUUUORDSA-N -1 0 302.290 -0.068 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)CCCCN1CCOCC1 ZINC001608598478 1019215758 /nfs/dbraw/zinc/21/57/58/1019215758.db2.gz XCJWAEZNDAQDOE-TZMCWYRMSA-N -1 0 314.382 -0.075 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC001608597792 1019216980 /nfs/dbraw/zinc/21/69/80/1019216980.db2.gz NBDGRTNYRYFHFD-AXFHLTTASA-N -1 0 316.379 -0.472 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)CCC(=O)N1CCOCC1 ZINC001608595193 1019217094 /nfs/dbraw/zinc/21/70/94/1019217094.db2.gz HLNJTTDADXGUMA-GWCFXTLKSA-N -1 0 314.338 -0.938 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)Cn2nnc3c2CCCC3)C1 ZINC001608603534 1019218275 /nfs/dbraw/zinc/21/82/75/1019218275.db2.gz YLNWOLRUIMEXPK-NXEZZACHSA-N -1 0 308.338 -0.549 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)Nc2nc3n(n2)CCCC3)C1 ZINC001608603547 1019218804 /nfs/dbraw/zinc/21/88/04/1019218804.db2.gz FPMXPYUZRQWOCX-RKDXNWHRSA-N -1 0 309.326 -0.086 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@@]23CCC(=O)N2CCS3)C1 ZINC001608602646 1019219683 /nfs/dbraw/zinc/21/96/83/1019219683.db2.gz RSZCGPRXMBVJMJ-KKFJDGPESA-N -1 0 314.363 -0.654 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@@]23CCC(=O)N2CCS3)C1 ZINC001608602648 1019219710 /nfs/dbraw/zinc/21/97/10/1019219710.db2.gz RSZCGPRXMBVJMJ-ZDMBXUJBSA-N -1 0 314.363 -0.654 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)NCc2nnnn2CC2CC2)C1 ZINC001608605381 1019219718 /nfs/dbraw/zinc/21/97/18/1019219718.db2.gz PZBUXCRPLHUYSW-VHSXEESVSA-N -1 0 324.341 -0.940 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)c3cocn3)C[C@@H]2C1 ZINC001608610646 1019221077 /nfs/dbraw/zinc/22/10/77/1019221077.db2.gz JQXOHWPQZUNRGK-ZRUFSTJUSA-N -1 0 319.317 -0.074 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccnnc3)C[C@H]21 ZINC001608610130 1019221181 /nfs/dbraw/zinc/22/11/81/1019221181.db2.gz HFNLOYDKJSBDAW-KKJSVHSVSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)Cn2ccnc2)CC1 ZINC001608610710 1019221507 /nfs/dbraw/zinc/22/15/07/1019221507.db2.gz KUDVTGBLBOHGSC-VXGBXAGGSA-N -1 0 320.349 -0.289 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)C2CCOCC2)C1 ZINC001608610843 1019221563 /nfs/dbraw/zinc/22/15/63/1019221563.db2.gz LDBBDPNICBXSBH-NEPJUHHUSA-N -1 0 310.350 -0.292 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 ZINC001608610982 1019222104 /nfs/dbraw/zinc/22/21/04/1019222104.db2.gz MFUIFSSAZPTBJL-NWDGAFQWSA-N -1 0 319.317 -0.675 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)C2=COCCO2)CC1 ZINC001608610675 1019222713 /nfs/dbraw/zinc/22/27/13/1019222713.db2.gz KQCXNCOKYHGLCY-GHMZBOCLSA-N -1 0 324.333 -0.344 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)C1=CCCC1 ZINC001608609991 1019223080 /nfs/dbraw/zinc/22/30/80/1019223080.db2.gz GSIGOPHYWRMQGL-NEPJUHHUSA-N -1 0 310.350 -0.246 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cnc3n2CCC3)C1 ZINC001608609680 1019223322 /nfs/dbraw/zinc/22/33/22/1019223322.db2.gz CUEUTJPNZHXQMB-UWVGGRQHSA-N -1 0 318.333 -0.509 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)Cn2ccnc2)C1 ZINC001608611608 1019224303 /nfs/dbraw/zinc/22/43/03/1019224303.db2.gz PXMNSEYZOHNKES-MNOVXSKESA-N -1 0 306.322 -0.822 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CC1 ZINC001608611641 1019225686 /nfs/dbraw/zinc/22/56/86/1019225686.db2.gz UPPVANBXCAMQNJ-XKNYDFJKSA-N -1 0 323.353 -0.252 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)C=C2CCC2)C1 ZINC001608611005 1019225958 /nfs/dbraw/zinc/22/59/58/1019225958.db2.gz MPEWEWWGIMKVJQ-QWRGUYRKSA-N -1 0 308.334 -0.493 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)CCc2nnc[nH]2)C1 ZINC001608611414 1019226004 /nfs/dbraw/zinc/22/60/04/1019226004.db2.gz PNVCTFORVOIVBY-VHSXEESVSA-N -1 0 321.337 -0.967 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]21 ZINC001608611628 1019226204 /nfs/dbraw/zinc/22/62/04/1019226204.db2.gz UMWPFIFKSOXIJI-HTFKAIDBSA-N -1 0 304.306 -0.683 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2ccncc2F)C1 ZINC001608611896 1019226221 /nfs/dbraw/zinc/22/62/21/1019226221.db2.gz RURVJBDBNHFYRC-NXEZZACHSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)c2cn[nH]c2)CC1 ZINC001608611687 1019226319 /nfs/dbraw/zinc/22/63/19/1019226319.db2.gz QSCJIPFBNXVZGF-GHMZBOCLSA-N -1 0 306.322 -0.195 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)Cc2cnoc2)CC1 ZINC001608611259 1019226329 /nfs/dbraw/zinc/22/63/29/1019226329.db2.gz OEYDWKUNBIUDJA-VXGBXAGGSA-N -1 0 321.333 -0.001 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2cnon2)CC1 ZINC001608612068 1019227791 /nfs/dbraw/zinc/22/77/91/1019227791.db2.gz SKRYZAYBHCWYKV-DTWKUNHWSA-N -1 0 308.294 -0.489 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2C1 ZINC001608612308 1019227957 /nfs/dbraw/zinc/22/79/57/1019227957.db2.gz USZQGLSHUJRZCY-VLEAKVRGSA-N -1 0 318.333 -0.339 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CCN(C(=O)c2cnon2)CC1 ZINC001608612717 1019228192 /nfs/dbraw/zinc/22/81/92/1019228192.db2.gz ZGSXZUAEARFBNY-VHSXEESVSA-N -1 0 322.321 -0.241 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2ncccc2F)C1 ZINC001608612676 1019228935 /nfs/dbraw/zinc/22/89/35/1019228935.db2.gz YSPPCLPOUUOUGY-DTWKUNHWSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]2C(=O)N(C[C@H]3CCCNC3=O)C(=O)N2C1 ZINC001608620912 1019229154 /nfs/dbraw/zinc/22/91/54/1019229154.db2.gz VSANGCJRPRBPAS-BBBLOLIVSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2C[C@@H](O)CC(F)(F)C2)C1=O ZINC001608628592 1019230863 /nfs/dbraw/zinc/23/08/63/1019230863.db2.gz GKQBNAMNYBYEDF-DTWKUNHWSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@H](CO)CN2CCOCC2)C1 ZINC001608621714 1019230915 /nfs/dbraw/zinc/23/09/15/1019230915.db2.gz WPOPVHRBVQSLJF-UPJWGTAASA-N -1 0 314.382 -0.313 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)N1C[C@H](CO)[C@H](CO)C1 ZINC001608628031 1019231386 /nfs/dbraw/zinc/23/13/86/1019231386.db2.gz XOGOTLMTBLAGML-WRWGMCAJSA-N -1 0 321.395 -0.508 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@H](CO)[C@H](CO)C1 ZINC001608628029 1019232233 /nfs/dbraw/zinc/23/22/33/1019232233.db2.gz XOGOTLMTBLAGML-USZNOCQGSA-N -1 0 321.395 -0.508 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC(F)(F)C[C@H]2CO)C1=O ZINC001608630148 1019232692 /nfs/dbraw/zinc/23/26/92/1019232692.db2.gz ZRAZWOMAYKFCPP-IUCAKERBSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)CC1 ZINC001608630588 1019232759 /nfs/dbraw/zinc/23/27/59/1019232759.db2.gz SSNRHPUXOHCLBQ-FRGLDACASA-N -1 0 314.363 -0.959 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2COc3ccc(O)cc3O2)CCO1 ZINC001608642802 1019233984 /nfs/dbraw/zinc/23/39/84/1019233984.db2.gz XBXAZDPNMNHWKF-NWDGAFQWSA-N -1 0 309.274 -0.156 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N([C@H]3CC(=O)N(C4CC4)C3)C(=O)[C@H]2C1 ZINC001608640745 1019234027 /nfs/dbraw/zinc/23/40/27/1019234027.db2.gz ZDJCCEMLERSFFW-DVVUODLYSA-N -1 0 321.333 -0.123 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cc(Cn3cccn3)on2)CCO1 ZINC001608643899 1019234037 /nfs/dbraw/zinc/23/40/37/1019234037.db2.gz JWIHUHZTGNDKTF-LLVKDONJSA-N -1 0 306.278 -0.155 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCn3ncnc3C2)CC1 ZINC001608635142 1019234251 /nfs/dbraw/zinc/23/42/51/1019234251.db2.gz YLHBOTWLHFXFGH-UHFFFAOYSA-N -1 0 315.355 -0.865 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cc(Cn3cccn3)on2)CCO1 ZINC001608643900 1019234410 /nfs/dbraw/zinc/23/44/10/1019234410.db2.gz JWIHUHZTGNDKTF-NSHDSACASA-N -1 0 306.278 -0.155 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2C[C@@H]2C[C@H]3CCC[C@@H]3O2)CCO1 ZINC001608646586 1019234565 /nfs/dbraw/zinc/23/45/65/1019234565.db2.gz NCNIOXBJTHLYDP-RHYQMDGZSA-N -1 0 323.353 -0.080 20 0 DBADRM O=C([O-])CC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001608663787 1019237006 /nfs/dbraw/zinc/23/70/06/1019237006.db2.gz NZXAWZBCGFDKEJ-SNVBAGLBSA-N -1 0 320.367 -0.886 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)C[C@@H]1CC2(CCC2)CO1 ZINC001608675522 1019237162 /nfs/dbraw/zinc/23/71/62/1019237162.db2.gz LWVUMKGGILEXOC-UWVGGRQHSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC001608674493 1019237353 /nfs/dbraw/zinc/23/73/53/1019237353.db2.gz VYLXINDQCQRQRZ-NSHDSACASA-N -1 0 322.317 -0.098 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CC1 ZINC001608664893 1019238019 /nfs/dbraw/zinc/23/80/19/1019238019.db2.gz NMLCFMTVXOSWRK-UPJWGTAASA-N -1 0 323.393 -0.044 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)C[C@H]1CC2(CCC2)CO1 ZINC001608675523 1019238051 /nfs/dbraw/zinc/23/80/51/1019238051.db2.gz LWVUMKGGILEXOC-VHSXEESVSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)N1CCc2c1cccc2F ZINC001608674461 1019238075 /nfs/dbraw/zinc/23/80/75/1019238075.db2.gz UWSGRFHNFGYMFW-QMMMGPOBSA-N -1 0 310.281 -0.333 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)c1ccccc1Cn1ccnn1 ZINC001608675007 1019238118 /nfs/dbraw/zinc/23/81/18/1019238118.db2.gz DYYYAIWHPVMAOF-NSHDSACASA-N -1 0 304.306 -0.108 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)c1cnn(C[C@@H](O)CO)c1)C1CC1 ZINC001608667427 1019238187 /nfs/dbraw/zinc/23/81/87/1019238187.db2.gz FWFNMNXLJJPZMV-ZYHUDNBSSA-N -1 0 311.338 -0.533 20 0 DBADRM O=C([O-])CC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC001608664596 1019238516 /nfs/dbraw/zinc/23/85/16/1019238516.db2.gz ZEMXCHQAMKDYBZ-UHFFFAOYSA-N -1 0 301.320 -0.457 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC001608674980 1019238600 /nfs/dbraw/zinc/23/86/00/1019238600.db2.gz AIWBSJGXFHSFFH-WBMJQRKESA-N -1 0 320.345 -0.214 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)c1ccc(Cl)nc1F ZINC001608676797 1019239533 /nfs/dbraw/zinc/23/95/33/1019239533.db2.gz CRIIYLYPYOETCM-YFKPBYRVSA-N -1 0 312.706 -0.012 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC001608677182 1019239567 /nfs/dbraw/zinc/23/95/67/1019239567.db2.gz XJHUFTKMXLHCCC-QMMMGPOBSA-N -1 0 315.303 -0.529 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001608676354 1019239850 /nfs/dbraw/zinc/23/98/50/1019239850.db2.gz ZMDCZJURUFSOEQ-ARDNSNSESA-N -1 0 301.217 -0.716 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1cccnc1Cl ZINC001608675905 1019239915 /nfs/dbraw/zinc/23/99/15/1019239915.db2.gz MGPGUOCWVLSRRY-ZCFIWIBFSA-N -1 0 301.686 -0.375 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)CCOC2 ZINC001608675919 1019240201 /nfs/dbraw/zinc/24/02/01/1019240201.db2.gz MOZSSXJATITODP-GFCCVEGCSA-N -1 0 322.317 -0.350 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)CNC(=O)OCC(F)(F)F ZINC001608676290 1019240925 /nfs/dbraw/zinc/24/09/25/1019240925.db2.gz QPNMCQTYFYHBTQ-YFKPBYRVSA-N -1 0 302.205 -0.773 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CCCN(CCO)CC2)CC1 ZINC001608681537 1019240994 /nfs/dbraw/zinc/24/09/94/1019240994.db2.gz VCMVRGKEPMQHDF-UHFFFAOYSA-N -1 0 320.411 -0.429 20 0 DBADRM C[C@@H](C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCC1 ZINC001503228173 1019242378 /nfs/dbraw/zinc/24/23/78/1019242378.db2.gz IWUFQAMGEXKZSE-JGVFFNPUSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc2nonc2c1 ZINC001608689671 1019242725 /nfs/dbraw/zinc/24/27/25/1019242725.db2.gz IWAHVHCGTRFDOR-JTQLQIEISA-N -1 0 304.262 -0.362 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cnc2cc[nH]c2c1 ZINC001608689771 1019242934 /nfs/dbraw/zinc/24/29/34/1019242934.db2.gz MMPFYDLPECFMKB-LLVKDONJSA-N -1 0 302.290 -0.022 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CCCCc1c[nH]nn1 ZINC001608689456 1019243603 /nfs/dbraw/zinc/24/36/03/1019243603.db2.gz WBLRIRGKFJAPKG-JTQLQIEISA-N -1 0 309.326 -0.681 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@H]1Cc2cccnc2C1 ZINC001608688937 1019243766 /nfs/dbraw/zinc/24/37/66/1019243766.db2.gz AIYCFJRPRPASAM-JQWIXIFHSA-N -1 0 303.318 -0.402 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cc2n(n1)CCC[C@@H]2O ZINC001608689911 1019243933 /nfs/dbraw/zinc/24/39/33/1019243933.db2.gz RQQAPNIMXRSKPH-QWRGUYRKSA-N -1 0 322.321 -0.874 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NCc2nnnn2CC2CC2)CCO1 ZINC001608700067 1019245116 /nfs/dbraw/zinc/24/51/16/1019245116.db2.gz WPTVWKUQKAJARK-JTQLQIEISA-N -1 0 324.341 -0.532 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001608695187 1019245558 /nfs/dbraw/zinc/24/55/58/1019245558.db2.gz OUMWAUCTUJQKCE-QWRGUYRKSA-N -1 0 320.349 -0.151 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001608696381 1019245983 /nfs/dbraw/zinc/24/59/83/1019245983.db2.gz VRYZHUBVIWZDBZ-BDAKNGLRSA-N -1 0 323.309 -0.534 20 0 DBADRM O=C([O-])COCCOCCNC(=O)Nc1nc2ccccn2n1 ZINC001574732102 1019246737 /nfs/dbraw/zinc/24/67/37/1019246737.db2.gz YGRLZDQXSGVDHW-UHFFFAOYSA-N -1 0 323.309 -0.031 20 0 DBADRM O=C([O-])CNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC001574727336 1019247320 /nfs/dbraw/zinc/24/73/20/1019247320.db2.gz WEGAYIWXBLODJK-UHFFFAOYSA-N -1 0 305.337 -0.180 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1cnc[nH]1 ZINC001608702871 1019248448 /nfs/dbraw/zinc/24/84/48/1019248448.db2.gz CDFODJWYZWJVBW-SECBINFHSA-N -1 0 301.324 -0.948 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)c1cccc(-n2cncn2)n1 ZINC001608701272 1019248897 /nfs/dbraw/zinc/24/88/97/1019248897.db2.gz VCUGLOMJNIKBRM-SNVBAGLBSA-N -1 0 317.305 -0.022 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC001608717974 1019250718 /nfs/dbraw/zinc/25/07/18/1019250718.db2.gz MLYRNOCBRQDHCF-GXSJLCMTSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCc2nc[nH]c(=O)c2C1 ZINC001608718098 1019250815 /nfs/dbraw/zinc/25/08/15/1019250815.db2.gz VDNPJEKWPWBWDV-UHFFFAOYSA-N -1 0 301.324 -0.265 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC001608718519 1019250964 /nfs/dbraw/zinc/25/09/64/1019250964.db2.gz ZJAUWWBNWWQTSX-VIFPVBQESA-N -1 0 313.397 -0.405 20 0 DBADRM O=C([O-])CCCCNC(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001608713007 1019251118 /nfs/dbraw/zinc/25/11/18/1019251118.db2.gz DHOPKBJGTJKVRV-CYBMUJFWSA-N -1 0 315.326 -0.238 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)C[C@@H]2CCC(=O)NC2)C1=O ZINC001608724028 1019251988 /nfs/dbraw/zinc/25/19/88/1019251988.db2.gz DSTBVZGSKDEKPM-UWVGGRQHSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCN1CCC[C@H](OC(=O)C2(n3cnnn3)CC2)C1=O ZINC001608725547 1019252139 /nfs/dbraw/zinc/25/21/39/1019252139.db2.gz OVDMTCNPMAAYPD-VIFPVBQESA-N -1 0 323.309 -0.829 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)C[C@@H]2CCC(=O)NC2)C1=O ZINC001608724029 1019252877 /nfs/dbraw/zinc/25/28/77/1019252877.db2.gz DSTBVZGSKDEKPM-VHSXEESVSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@H]1CCn2cncc2C1 ZINC001608727579 1019254805 /nfs/dbraw/zinc/25/48/05/1019254805.db2.gz VGVZOLWYTDRXFY-JTQLQIEISA-N -1 0 308.338 -0.457 20 0 DBADRM O=C([O-])CN(CCC(F)(F)F)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001608744699 1019259125 /nfs/dbraw/zinc/25/91/25/1019259125.db2.gz UOQJHXHVACPGKP-ZCFIWIBFSA-N -1 0 318.273 -0.456 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cnc2n1CCOC2 ZINC001608728581 1019255525 /nfs/dbraw/zinc/25/55/25/1019255525.db2.gz MHGLNEVBSYLXRV-UHFFFAOYSA-N -1 0 310.310 -0.876 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)C1CN(CC(F)(F)F)C1 ZINC001608729213 1019255612 /nfs/dbraw/zinc/25/56/12/1019255612.db2.gz CIULMDQPQXRATE-UHFFFAOYSA-N -1 0 312.244 -0.385 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1ccnc2c1CC(=O)N2 ZINC001608729141 1019255890 /nfs/dbraw/zinc/25/58/90/1019255890.db2.gz BCPIZMOQGVQYBZ-UHFFFAOYSA-N -1 0 307.262 -0.676 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCCN2CCOCC2)O1 ZINC001608736346 1019257298 /nfs/dbraw/zinc/25/72/98/1019257298.db2.gz NPVATZRSZHFMOG-NWDGAFQWSA-N -1 0 300.355 -0.153 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cncc2[nH]cnc21 ZINC001608728694 1019258072 /nfs/dbraw/zinc/25/80/72/1019258072.db2.gz QMGBBVMHTKDCIP-UHFFFAOYSA-N -1 0 305.294 -0.331 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)COCc1ccncc1 ZINC001608727706 1019258201 /nfs/dbraw/zinc/25/82/01/1019258201.db2.gz ZVFKTISCTRTDQT-UHFFFAOYSA-N -1 0 309.322 -0.305 20 0 DBADRM CSCCC(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001503757908 1019257992 /nfs/dbraw/zinc/25/79/92/1019257992.db2.gz SVFAOTOGFGTTCW-ZETCQYMHSA-N -1 0 317.371 -0.937 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCN(Cc2ccncc2)CC1 ZINC001608729600 1019258449 /nfs/dbraw/zinc/25/84/49/1019258449.db2.gz YKZRXTPFCYCRGG-UHFFFAOYSA-N -1 0 306.366 -0.210 20 0 DBADRM O=C([O-])CN1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 ZINC001608748967 1019259071 /nfs/dbraw/zinc/25/90/71/1019259071.db2.gz FBJKETHLFABJNZ-CYBMUJFWSA-N -1 0 318.329 -0.003 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001608750086 1019259275 /nfs/dbraw/zinc/25/92/75/1019259275.db2.gz DZMFOKXLNVCGLM-WPRPVWTQSA-N -1 0 321.337 -0.584 20 0 DBADRM O=C([O-])CN1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)CC1 ZINC001608749401 1019259876 /nfs/dbraw/zinc/25/98/76/1019259876.db2.gz DXUMHEBUVLMWRR-HBNTYKKESA-N -1 0 304.368 -0.662 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCNC(=O)C1CCCC1 ZINC001574800084 1019259848 /nfs/dbraw/zinc/25/98/48/1019259848.db2.gz RRIZYFFNZJSPQI-UHFFFAOYSA-N -1 0 323.353 -0.362 20 0 DBADRM O=C(NCCO)C1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001574812596 1019261738 /nfs/dbraw/zinc/26/17/38/1019261738.db2.gz OMAJUKFKDDGKTJ-XYPYZODXSA-N -1 0 313.354 -0.620 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cnc2n1CCC2 ZINC001608750578 1019262824 /nfs/dbraw/zinc/26/28/24/1019262824.db2.gz GSZQQVNVGNILST-VIFPVBQESA-N -1 0 306.322 -0.365 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1cnc2cc(F)c(F)cc2c1O ZINC001574814211 1019264217 /nfs/dbraw/zinc/26/42/17/1019264217.db2.gz YVLNFUAMXDLHEW-SNVBAGLBSA-N -1 0 312.228 -0.018 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)Cc1csc(N2CCCC2=O)n1 ZINC001574809263 1019264312 /nfs/dbraw/zinc/26/43/12/1019264312.db2.gz KAYSCMFJYYKPJQ-QMMMGPOBSA-N -1 0 313.335 -0.626 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC001608752376 1019264890 /nfs/dbraw/zinc/26/48/90/1019264890.db2.gz PANLDZRDUJLXPG-UWVGGRQHSA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])CNC(=O)CNCc1cn(-c2ccc(F)cc2)nn1 ZINC001608752743 1019265986 /nfs/dbraw/zinc/26/59/86/1019265986.db2.gz MUGCZTJAYJWXEH-UHFFFAOYSA-N -1 0 307.285 -0.303 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccc(C(=O)NC2CC2)c1 ZINC001608752792 1019266566 /nfs/dbraw/zinc/26/65/66/1019266566.db2.gz PTRFSSSKBAUZHV-UHFFFAOYSA-N -1 0 319.317 -0.491 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@H](O)Cc1ccccc1Cl ZINC001608753003 1019267249 /nfs/dbraw/zinc/26/72/49/1019267249.db2.gz YNPOJYJTCBVQQI-JTQLQIEISA-N -1 0 315.709 -0.013 20 0 DBADRM O=C([O-])COCC(=O)OCCN1C(=O)NC2(CCCC2)C1=O ZINC001608757014 1019267479 /nfs/dbraw/zinc/26/74/79/1019267479.db2.gz QLXGUKNASIIIOM-UHFFFAOYSA-N -1 0 314.294 -0.505 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC001608753168 1019267637 /nfs/dbraw/zinc/26/76/37/1019267637.db2.gz OLDMDMHRTWZVOY-UHFFFAOYSA-N -1 0 323.231 -0.232 20 0 DBADRM O=C([O-])COCC(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 ZINC001608756563 1019267882 /nfs/dbraw/zinc/26/78/82/1019267882.db2.gz QJQLUEZDVJJYFS-UHFFFAOYSA-N -1 0 324.289 -0.386 20 0 DBADRM O=C([O-])COCCNC(=O)NCc1nnnn1-c1ccccc1 ZINC001608757507 1019268008 /nfs/dbraw/zinc/26/80/08/1019268008.db2.gz HPVXFEAOKSPSFM-UHFFFAOYSA-N -1 0 320.309 -0.437 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1cnnn1-c1ccccc1 ZINC001608753015 1019268109 /nfs/dbraw/zinc/26/81/09/1019268109.db2.gz FHXFDAXSCRWCKD-UHFFFAOYSA-N -1 0 318.293 -0.410 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Cc1ccc(O)c(Cl)c1 ZINC001608752862 1019268347 /nfs/dbraw/zinc/26/83/47/1019268347.db2.gz AVUDCQMSHXYKEB-UHFFFAOYSA-N -1 0 300.698 -0.095 20 0 DBADRM O=C([O-])COCCNC(=O)NCCn1c(=O)oc2ccccc21 ZINC001608757497 1019268486 /nfs/dbraw/zinc/26/84/86/1019268486.db2.gz GYRLWARDMWOVBO-UHFFFAOYSA-N -1 0 323.305 -0.005 20 0 DBADRM O=C([O-])COCCNC(=O)CCCS(=O)(=O)N1CCCC1 ZINC001608757134 1019268789 /nfs/dbraw/zinc/26/87/89/1019268789.db2.gz ZVQDREGCEOJBGJ-UHFFFAOYSA-N -1 0 322.383 -0.590 20 0 DBADRM O=C([O-])CSCCC(=O)N1CCC(=O)NCC12COC2 ZINC001608766117 1019269873 /nfs/dbraw/zinc/26/98/73/1019269873.db2.gz PENAOZCZDZOIKS-UHFFFAOYSA-N -1 0 302.352 -0.688 20 0 DBADRM CC(C)=CC(=O)NCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001574839857 1019270340 /nfs/dbraw/zinc/27/03/40/1019270340.db2.gz OODNOGOVUMDPCY-UHFFFAOYSA-N -1 0 309.326 -0.586 20 0 DBADRM O=C([O-])Cn1cc(CCN2CCO[C@@H]([C@@H]3CCCO3)C2)nn1 ZINC001608796714 1019273885 /nfs/dbraw/zinc/27/38/85/1019273885.db2.gz NAMUSWMYCWFCOG-QWHCGFSZSA-N -1 0 310.354 -0.215 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC[C@@H](O)c2ccco2)cn1 ZINC001608797980 1019276687 /nfs/dbraw/zinc/27/66/87/1019276687.db2.gz CCSQKZGUACALAC-SECBINFHSA-N -1 0 315.307 -0.427 20 0 DBADRM O=C([O-])Cn1cc(CCN2CCN(c3ncc[nH]3)CC2)nn1 ZINC001608796723 1019276791 /nfs/dbraw/zinc/27/67/91/1019276791.db2.gz NMIPMXYXVGFSHX-UHFFFAOYSA-N -1 0 305.342 -0.550 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC23CCOCC3)cn1 ZINC001608798279 1019277708 /nfs/dbraw/zinc/27/77/08/1019277708.db2.gz USRWYNGMMDIRPI-UHFFFAOYSA-N -1 0 315.351 -0.089 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H](CO)CC2CC2)cn1 ZINC001608798373 1019278252 /nfs/dbraw/zinc/27/82/52/1019278252.db2.gz ZXPDENJFWILSMA-SECBINFHSA-N -1 0 303.340 -0.593 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(C[C@H]1CCNC(=O)CC1)c2=O ZINC001608799319 1019278497 /nfs/dbraw/zinc/27/84/97/1019278497.db2.gz DWJDZCFHRPFJEM-SECBINFHSA-N -1 0 319.321 -0.406 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C2(O)COC2)C[C@H]1c1ccc(O)cc1 ZINC001608806314 1019278789 /nfs/dbraw/zinc/27/87/89/1019278789.db2.gz UYLSFOULPBCICR-NWDGAFQWSA-N -1 0 307.302 -0.220 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CC[C@@H]1CCOC1=O)c2=O ZINC001608799232 1019278978 /nfs/dbraw/zinc/27/89/78/1019278978.db2.gz AMHXGFBJZRJLON-MRVPVSSYSA-N -1 0 306.278 -0.369 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCO[C@@]3(CCOC3)C2)n1 ZINC001608798819 1019279090 /nfs/dbraw/zinc/27/90/90/1019279090.db2.gz WJLGBRGJSUOHFM-ZDUSSCGKSA-N -1 0 310.310 -0.009 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC(CNC(=O)C(F)(F)F)C2)O1 ZINC001608803704 1019279470 /nfs/dbraw/zinc/27/94/70/1019279470.db2.gz MBVJJMYWIJEWTI-SFYZADRCSA-N -1 0 324.255 -0.245 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001608801295 1019279509 /nfs/dbraw/zinc/27/95/09/1019279509.db2.gz PEYUVNRPNRTEPI-ZJUUUORDSA-N -1 0 315.305 -0.460 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NCCS(=O)(=O)C2CC2)n1 ZINC001608799134 1019279578 /nfs/dbraw/zinc/27/95/78/1019279578.db2.gz URSYTIKFGVCOQZ-UHFFFAOYSA-N -1 0 316.339 -0.334 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2CC[C@H](CO)CC2)cn1 ZINC001608798382 1019279584 /nfs/dbraw/zinc/27/95/84/1019279584.db2.gz BNFTYTJSZJNNHH-MGCOHNPYSA-N -1 0 317.367 -0.203 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC(=O)N(CC(F)(F)F)C2)O1 ZINC001608803693 1019279806 /nfs/dbraw/zinc/27/98/06/1019279806.db2.gz KXLPGQSHXKLUDL-RQJHMYQMSA-N -1 0 310.228 -0.191 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(Cn2cncn2)c1 ZINC001608810647 1019281146 /nfs/dbraw/zinc/28/11/46/1019281146.db2.gz QDMIPLPOMKXUNY-OLZOCXBDSA-N -1 0 316.317 -0.014 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCCS(=O)(=O)CC2)C1 ZINC001608809965 1019281598 /nfs/dbraw/zinc/28/15/98/1019281598.db2.gz XWFBCDAXXAXLRT-WDEREUQCSA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N1CCC(N2CCNC2=O)CC1 ZINC001608810810 1019281965 /nfs/dbraw/zinc/28/19/65/1019281965.db2.gz GRJQROVYNYHAPQ-MWLCHTKSSA-N -1 0 310.354 -0.094 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CSc1nnc2ccccn21 ZINC001608810454 1019282557 /nfs/dbraw/zinc/28/25/57/1019282557.db2.gz ZAKUNTRNDIFCPF-BDAKNGLRSA-N -1 0 322.346 -0.132 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@](O)(C(F)F)C1 ZINC001608814808 1019282775 /nfs/dbraw/zinc/28/27/75/1019282775.db2.gz YBVNDEGRYULHFD-RWYTXXIDSA-N -1 0 308.281 -0.112 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1(N2CCOCC2)CCC1 ZINC001608814455 1019283327 /nfs/dbraw/zinc/28/33/27/1019283327.db2.gz KTEYHKLXQGJNGX-VXGBXAGGSA-N -1 0 312.366 -0.153 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(Cn2ccnn2)c1 ZINC001608810574 1019283860 /nfs/dbraw/zinc/28/38/60/1019283860.db2.gz JPXNCLOWNVNVGJ-OLZOCXBDSA-N -1 0 316.317 -0.014 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1ccc(Cn2ccnn2)o1 ZINC001608823217 1019284483 /nfs/dbraw/zinc/28/44/83/1019284483.db2.gz FJLMBNFWZYCMCG-PSASIEDQSA-N -1 0 306.278 -0.421 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)C1(n2cc(Br)cn2)CC1 ZINC001608818222 1019284877 /nfs/dbraw/zinc/28/48/77/1019284877.db2.gz RCDCIPPWNXLLIJ-ZETCQYMHSA-N -1 0 318.127 -0.304 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)C[C@@H]1CCC2(CCC2)O1 ZINC001608823887 1019285341 /nfs/dbraw/zinc/28/53/41/1019285341.db2.gz ZYNJBBNSVPICAC-OUAUKWLOSA-N -1 0 319.379 -0.062 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(c3nnnn3CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001608817300 1019286851 /nfs/dbraw/zinc/28/68/51/1019286851.db2.gz KWLIYDNXGKMMET-XAVMHZPKSA-N -1 0 315.280 -0.136 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001608823442 1019287059 /nfs/dbraw/zinc/28/70/59/1019287059.db2.gz RTTVUIWSORHOET-VPOLOUISSA-N -1 0 324.333 -0.792 20 0 DBADRM O=C([O-])c1cc(C2CN(C(=O)NCC[C@@]3(O)CCOC3)C2)[nH]n1 ZINC001608840505 1019288567 /nfs/dbraw/zinc/28/85/67/1019288567.db2.gz WOSGZGNGXDYGBC-CQSZACIVSA-N -1 0 324.337 -0.242 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCCN(CCF)C2)n[nH]1 ZINC001608860352 1019289933 /nfs/dbraw/zinc/28/99/33/1019289933.db2.gz HEMRYPOXQNEKJY-QMMMGPOBSA-N -1 0 320.346 -0.180 20 0 DBADRM O=C([O-])c1ccc(OC[C@@H](O)CN2CCOC[C@H]2CO)cc1 ZINC001608907134 1019291940 /nfs/dbraw/zinc/29/19/40/1019291940.db2.gz XIZAHVCVJPWATB-OLZOCXBDSA-N -1 0 311.334 -0.182 20 0 DBADRM O=C([O-])c1ccc(F)cc1S(=O)(=O)NCC1(CO)COC1 ZINC001608897244 1019292189 /nfs/dbraw/zinc/29/21/89/1019292189.db2.gz MIYRHJMNUYINDH-UHFFFAOYSA-N -1 0 319.310 -0.189 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CC3(C2)C[C@H](O)CNC3=O)cc1 ZINC001608871885 1019292610 /nfs/dbraw/zinc/29/26/10/1019292610.db2.gz XUMIEUMJPSFCIQ-NSHDSACASA-N -1 0 304.302 -0.292 20 0 DBADRM O=C([O-])c1ccc(NCCN2CCS(=O)(=O)CC2)nn1 ZINC001608903589 1019293088 /nfs/dbraw/zinc/29/30/88/1019293088.db2.gz WMFPEIHLJFYNOL-UHFFFAOYSA-N -1 0 300.340 -0.683 20 0 DBADRM O=C([O-])c1ccc(NCC2(O)CCS(=O)(=O)CC2)nn1 ZINC001608903579 1019293298 /nfs/dbraw/zinc/29/32/98/1019293298.db2.gz VFHYIAHABBITKI-UHFFFAOYSA-N -1 0 301.324 -0.474 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)N2CCS(=O)(=O)CC2)nc1 ZINC001608883955 1019294779 /nfs/dbraw/zinc/29/47/79/1019294779.db2.gz OWCSLNPBYTUGNS-UHFFFAOYSA-N -1 0 313.335 -0.280 20 0 DBADRM O=C([O-])c1ccc2c(=O)[nH]c(CN3C[C@H](O)C[C@H]3CO)nc2c1 ZINC001608918584 1019295462 /nfs/dbraw/zinc/29/54/62/1019295462.db2.gz SZQQMTKHVPQCIP-VHSXEESVSA-N -1 0 319.317 -0.039 20 0 DBADRM O=C([O-])c1cccc(C(=O)N[C@H](CO)CN2CCOCC2)n1 ZINC001608928785 1019295767 /nfs/dbraw/zinc/29/57/67/1019295767.db2.gz OODBENZNEJUJID-JTQLQIEISA-N -1 0 309.322 -0.797 20 0 DBADRM O=C([O-])CCS(=O)(=O)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001574882534 1019295599 /nfs/dbraw/zinc/29/55/99/1019295599.db2.gz BFUFBTNPQPOVSR-BETUJISGSA-N -1 0 321.395 -0.362 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCC(N3CN=NC3=O)CC2)n1 ZINC001608950250 1019295993 /nfs/dbraw/zinc/29/59/93/1019295993.db2.gz FIUMCBHGVDWYKQ-UHFFFAOYSA-N -1 0 320.309 -0.258 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CCS(=O)(=O)CCO2)n1 ZINC001608928744 1019296027 /nfs/dbraw/zinc/29/60/27/1019296027.db2.gz JWHFQSKODUQWMQ-UHFFFAOYSA-N -1 0 300.292 -0.418 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N[C@@H](CO)[C@H]2CCOC2)c1 ZINC001608954305 1019296263 /nfs/dbraw/zinc/29/62/63/1019296263.db2.gz DBMYITDVCOEFDY-UWVGGRQHSA-N -1 0 316.335 -0.545 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCC[C@@H]2CN2CCOCC2)n1 ZINC001608950523 1019296471 /nfs/dbraw/zinc/29/64/71/1019296471.db2.gz VQKAFSYQNJROBR-GFCCVEGCSA-N -1 0 322.365 -0.096 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCc3c[nH]nc3C2)c1=O ZINC001608949996 1019296478 /nfs/dbraw/zinc/29/64/78/1019296478.db2.gz SEBZFSVNSWZZES-UHFFFAOYSA-N -1 0 302.290 -0.146 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCC3(CC2)OCCO3)c1=O ZINC001608949584 1019296620 /nfs/dbraw/zinc/29/66/20/1019296620.db2.gz AVTQHJUXDFFWAF-UHFFFAOYSA-N -1 0 322.317 -0.088 20 0 DBADRM O=C([O-])c1ccc2c(n1)CN(C(=O)CN1C(=O)CCC1=O)CC2 ZINC001608926251 1019296667 /nfs/dbraw/zinc/29/66/67/1019296667.db2.gz TUXQPGVOCQFFDD-UHFFFAOYSA-N -1 0 317.301 -0.187 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCN(C[C@H]3CCCO3)CC2)n1 ZINC001608950931 1019296708 /nfs/dbraw/zinc/29/67/08/1019296708.db2.gz VHNKXZIMIMVHGV-GFCCVEGCSA-N -1 0 322.365 -0.096 20 0 DBADRM O=C([O-])c1cccc(C(=O)N[C@H](CO)[C@H](O)c2cccnc2)n1 ZINC001608928726 1019296989 /nfs/dbraw/zinc/29/69/89/1019296989.db2.gz IPDIFBMTQFOVGW-CHWSQXEVSA-N -1 0 317.301 -0.001 20 0 DBADRM O=C([O-])c1cccc(C(=O)NC[C@@]2(OCCO)CCOC2)n1 ZINC001608929127 1019297387 /nfs/dbraw/zinc/29/73/87/1019297387.db2.gz XQRBUUPQYIGYED-AWEZNQCLSA-N -1 0 310.306 -0.322 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)NCCn3cccn3)C2)nn1 ZINC001608960373 1019297951 /nfs/dbraw/zinc/29/79/51/1019297951.db2.gz FIGOANFZHUUTTQ-SNVBAGLBSA-N -1 0 319.325 -0.171 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 ZINC001574896151 1019298332 /nfs/dbraw/zinc/29/83/32/1019298332.db2.gz IRFYIBJIMXPCES-UHFFFAOYSA-N -1 0 301.320 -0.804 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)[C@H]3CCCNC3=O)CC2)nn1 ZINC001608959270 1019298633 /nfs/dbraw/zinc/29/86/33/1019298633.db2.gz QSMHUTWFACJSLS-JTQLQIEISA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(S(=O)(=O)[C@@H]3CCOC3)C2)nn1 ZINC001608962452 1019298868 /nfs/dbraw/zinc/29/88/68/1019298868.db2.gz TWKQXZNYZGZRJX-RKDXNWHRSA-N -1 0 316.339 -0.658 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)nn1 ZINC001608960417 1019299304 /nfs/dbraw/zinc/29/93/04/1019299304.db2.gz GNLZQOGRDUCQHB-SNVBAGLBSA-N -1 0 303.278 -0.303 20 0 DBADRM O=C([O-])c1ccoc1CN1CCS(=O)(=O)C[C@H]1CCO ZINC001608955284 1019299519 /nfs/dbraw/zinc/29/95/19/1019299519.db2.gz QOKIZTAOHRRILE-SECBINFHSA-N -1 0 303.336 -0.041 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](CNC(=O)c3cn[nH]n3)C2)nc1 ZINC001608974529 1019301136 /nfs/dbraw/zinc/30/11/36/1019301136.db2.gz YVEVDXVAQLSSBY-QMMMGPOBSA-N -1 0 317.309 -0.451 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@H]1CCN(CC(F)F)C1 ZINC001608965492 1019301649 /nfs/dbraw/zinc/30/16/49/1019301649.db2.gz VBUUQJXTUGMANC-LURJTMIESA-N -1 0 324.309 -0.274 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NCCO[C@@H]1CCOC1 ZINC001609005512 1019313521 /nfs/dbraw/zinc/31/35/21/1019313521.db2.gz RGCDHVQFBJGJOB-SSDOTTSWSA-N -1 0 322.364 -0.075 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@H]2Cc3cccnc3C2)nn1 ZINC001608963983 1019301735 /nfs/dbraw/zinc/30/17/35/1019301735.db2.gz RNYARYLQLYUIFM-JTQLQIEISA-N -1 0 301.306 -0.098 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CC(C3CS(=O)(=O)C3)C2)cn1 ZINC001608965744 1019302449 /nfs/dbraw/zinc/30/24/49/1019302449.db2.gz PSKNTPHXPMRHOY-UHFFFAOYSA-N -1 0 311.319 -0.709 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](CNC(=O)c3cn[nH]n3)C2)nc1 ZINC001608974528 1019303094 /nfs/dbraw/zinc/30/30/94/1019303094.db2.gz YVEVDXVAQLSSBY-MRVPVSSYSA-N -1 0 317.309 -0.451 20 0 DBADRM O=C([O-])c1coc(C(=O)NC[C@]23COC(=O)N2CCOC3)c1 ZINC001608986663 1019304511 /nfs/dbraw/zinc/30/45/11/1019304511.db2.gz NDZPHGHGUIAKKQ-ZDUSSCGKSA-N -1 0 310.262 -0.071 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N[C@@H](CO)[C@@H]2CCOC2)c1 ZINC001608982526 1019304643 /nfs/dbraw/zinc/30/46/43/1019304643.db2.gz NKUCUOYTOPONFJ-KCJUWKMLSA-N -1 0 316.335 -0.545 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)c2ncccn2)nc1 ZINC001608976689 1019304879 /nfs/dbraw/zinc/30/48/79/1019304879.db2.gz BKAQGRRMJCQPAC-SECBINFHSA-N -1 0 318.293 -0.832 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CC[C@H](CN3CCOC3=O)C2)c1 ZINC001608984040 1019305054 /nfs/dbraw/zinc/30/50/54/1019305054.db2.gz PLTCPPXNIGMNCR-JTQLQIEISA-N -1 0 322.321 -0.118 20 0 DBADRM O=C([O-])c1cnc(NC2CC(CNC(=O)c3nnc[nH]3)C2)nc1 ZINC001608975947 1019305461 /nfs/dbraw/zinc/30/54/61/1019305461.db2.gz CQLMMLXTDXRXSI-UHFFFAOYSA-N -1 0 317.309 -0.087 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC001608982541 1019305579 /nfs/dbraw/zinc/30/55/79/1019305579.db2.gz NXSWIIOKQHUZJE-OCCIGCLGSA-N -1 0 316.360 -0.326 20 0 DBADRM O=C([O-])c1cnc(NCC2(O)CCS(=O)(=O)CC2)nc1 ZINC001608976791 1019306031 /nfs/dbraw/zinc/30/60/31/1019306031.db2.gz GVUUCACZORTBNO-UHFFFAOYSA-N -1 0 301.324 -0.474 20 0 DBADRM O=C([O-])c1coc(CNC(=O)c2cnn(C[C@H](O)CO)c2)c1 ZINC001608989212 1019306274 /nfs/dbraw/zinc/30/62/74/1019306274.db2.gz XXUROUVPSUUKGJ-JTQLQIEISA-N -1 0 309.278 -0.543 20 0 DBADRM O=C([O-])c1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)nc1 ZINC001608978837 1019306440 /nfs/dbraw/zinc/30/64/40/1019306440.db2.gz VEKAGUORSBETSL-GUBZILKMSA-N -1 0 319.321 -0.630 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)[C@H]3CCOC3)C2)n1 ZINC001608997497 1019307328 /nfs/dbraw/zinc/30/73/28/1019307328.db2.gz CRJOVNGTYRXFKH-VHSXEESVSA-N -1 0 306.322 -0.094 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)c3cn[nH]c3)C2)n1 ZINC001608999342 1019307941 /nfs/dbraw/zinc/30/79/41/1019307941.db2.gz VWQWWILCBRMDPW-VIFPVBQESA-N -1 0 302.294 -0.354 20 0 DBADRM O=C([O-])c1nccc(NCCCn2nc3n(c2=O)CCCC3)n1 ZINC001608998992 1019309223 /nfs/dbraw/zinc/30/92/23/1019309223.db2.gz JXOHFGYCEFTBPY-UHFFFAOYSA-N -1 0 318.337 -0.207 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@H](NC(=O)[C@H]3CCOC3)C2)n1 ZINC001608999895 1019309243 /nfs/dbraw/zinc/30/92/43/1019309243.db2.gz ZCQHOTACJLUVKN-GUBZILKMSA-N -1 0 306.322 -0.308 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)C2CCCC2)n1 ZINC001608999419 1019309390 /nfs/dbraw/zinc/30/93/90/1019309390.db2.gz YPPGMXLNTKCFTC-SNVBAGLBSA-N -1 0 308.338 -0.324 20 0 DBADRM O=C([O-])c1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC34CC4)C2)n1 ZINC001608998513 1019309690 /nfs/dbraw/zinc/30/96/90/1019309690.db2.gz RDWXVLMYMSSMEA-OPRDCNLKSA-N -1 0 318.333 -0.359 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@H](NC(=O)[C@H]3CCCO3)C2)n1 ZINC001608999812 1019309709 /nfs/dbraw/zinc/30/97/09/1019309709.db2.gz UKADAQAATMTCBU-OPRDCNLKSA-N -1 0 306.322 -0.165 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001609028572 1019314237 /nfs/dbraw/zinc/31/42/37/1019314237.db2.gz WYTNKIKNJGBGIV-ZDUSSCGKSA-N -1 0 306.278 -0.419 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(c2ccnc(C(=O)N3CCOCC3)c2)C1 ZINC001609027755 1019314453 /nfs/dbraw/zinc/31/44/53/1019314453.db2.gz RZMURZMPFUZNIB-OAHLLOKOSA-N -1 0 321.333 -0.420 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)C[C@@H]3CCC(=O)N3)C2)nn1 ZINC001609036004 1019315665 /nfs/dbraw/zinc/31/56/65/1019315665.db2.gz QPRFGBXNRSTINE-UWVGGRQHSA-N -1 0 321.337 -0.192 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)C[C@@H]3CC(=O)N3)C2)nn1 ZINC001609036411 1019316003 /nfs/dbraw/zinc/31/60/03/1019316003.db2.gz UPMODGBQJQOXOV-DTWKUNHWSA-N -1 0 307.310 -0.582 20 0 DBADRM O=C([O-])c1c(F)cccc1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC001609039021 1019317557 /nfs/dbraw/zinc/31/75/57/1019317557.db2.gz XKLMSWPWVLBAGV-UHFFFAOYSA-N -1 0 323.280 -0.189 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)c2ccnc3c2CC(=O)N3)CCOC1 ZINC001609043050 1019318097 /nfs/dbraw/zinc/31/80/97/1019318097.db2.gz OHRGHTOGPZGSHE-CQSZACIVSA-N -1 0 305.290 -0.203 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCNC(=O)C1)c1ccccc1F ZINC001609040949 1019319036 /nfs/dbraw/zinc/31/90/36/1019319036.db2.gz HJIRNVPRMQRVDP-CYBMUJFWSA-N -1 0 309.297 -0.501 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CCCCC1 ZINC001609043023 1019319110 /nfs/dbraw/zinc/31/91/10/1019319110.db2.gz NEAUWPOBJQITDZ-ZJUUUORDSA-N -1 0 311.338 -0.018 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCNC(=O)C1)c1ccccc1F ZINC001609040950 1019319254 /nfs/dbraw/zinc/31/92/54/1019319254.db2.gz HJIRNVPRMQRVDP-ZDUSSCGKSA-N -1 0 309.297 -0.501 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H]2CCCC[C@H]21 ZINC001609041188 1019319273 /nfs/dbraw/zinc/31/92/73/1019319273.db2.gz SCUALSARALRSPT-RWMBFGLXSA-N -1 0 323.393 -0.090 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)[C@@H]2CSCC(=O)N2)C1 ZINC001609042841 1019319392 /nfs/dbraw/zinc/31/93/92/1019319392.db2.gz XEPPIPYWLWRXOV-YUMQZZPRSA-N -1 0 304.393 -0.506 20 0 DBADRM O=C([O-])C(F)=C(Nc1cccnc1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001609043405 1019319623 /nfs/dbraw/zinc/31/96/23/1019319623.db2.gz FMUDRIBZHGFEGL-ZETCQYMHSA-N -1 0 324.293 -0.299 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CSCC(=O)N1)Cc1ccncc1 ZINC001609042629 1019320208 /nfs/dbraw/zinc/32/02/08/1019320208.db2.gz QVAMJXFPHWBASS-QWRGUYRKSA-N -1 0 323.374 -0.327 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCC([C@@H]3COC(=O)N3)CC2)c1 ZINC001609043942 1019320420 /nfs/dbraw/zinc/32/04/20/1019320420.db2.gz NJFISMHZJWOSID-NSHDSACASA-N -1 0 322.321 -0.072 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001609041685 1019320440 /nfs/dbraw/zinc/32/04/40/1019320440.db2.gz QSRAIJXMEULCHX-IRCOFANPSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1C(=O)[C@@H]1COC(=O)N1 ZINC001609045648 1019320855 /nfs/dbraw/zinc/32/08/55/1019320855.db2.gz HDMPFODFAYTWSU-QWRGUYRKSA-N -1 0 306.274 -0.162 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)CCC1 ZINC001609045259 1019320939 /nfs/dbraw/zinc/32/09/39/1019320939.db2.gz PEMVZTNYOFUGIT-MRVPVSSYSA-N -1 0 303.340 -0.967 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(C(=O)CC[C@H]1NC(=O)NC1=O)CC2 ZINC001609044699 1019321106 /nfs/dbraw/zinc/32/11/06/1019321106.db2.gz UPDOYSJUVITQDW-RKDXNWHRSA-N -1 0 309.322 -0.312 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)on1 ZINC001609044815 1019321503 /nfs/dbraw/zinc/32/15/03/1019321503.db2.gz YFAILVOUVTVYAW-UANNBLPKSA-N -1 0 322.277 -0.519 20 0 DBADRM O=C([O-])[C@H](c1ccsc1)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001609045257 1019321593 /nfs/dbraw/zinc/32/15/93/1019321593.db2.gz PCCHRUQVYOSDMB-ZJUUUORDSA-N -1 0 309.347 -0.484 20 0 DBADRM O=C([O-])C12CC(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)NC4=O)(C1)C2 ZINC001609044736 1019321688 /nfs/dbraw/zinc/32/16/88/1019321688.db2.gz VRHBVBGPZQNBOE-JZKIOTNJSA-N -1 0 321.333 -0.264 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001609044898 1019321750 /nfs/dbraw/zinc/32/17/50/1019321750.db2.gz BKKNTKNSVBWUGK-DTWKUNHWSA-N -1 0 322.317 -0.137 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC001609047319 1019322716 /nfs/dbraw/zinc/32/27/16/1019322716.db2.gz WFAOKWNKNQNUDS-QNSHHTMESA-N -1 0 318.351 -0.248 20 0 DBADRM C[C@H](C(=O)N1CCC(CCO)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609067940 1019324157 /nfs/dbraw/zinc/32/41/57/1019324157.db2.gz ITTNNCLPRWTZRI-SECBINFHSA-N -1 0 320.357 -0.360 20 0 DBADRM O=Cc1cncc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC001609050048 1019324682 /nfs/dbraw/zinc/32/46/82/1019324682.db2.gz DGBDOLPYPCIIRL-JTQLQIEISA-N -1 0 312.303 -0.782 20 0 DBADRM C[C@@H](C(=O)N1CCC(CCO)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609067941 1019326713 /nfs/dbraw/zinc/32/67/13/1019326713.db2.gz ITTNNCLPRWTZRI-VIFPVBQESA-N -1 0 320.357 -0.360 20 0 DBADRM C[C@H](C(=O)N1Cc2cccnc2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068223 1019327097 /nfs/dbraw/zinc/32/70/97/1019327097.db2.gz GSBAHBMCFZAKDG-MRVPVSSYSA-N -1 0 311.309 -0.043 20 0 DBADRM C[C@@H](C(=O)N1CC([C@H]2CCOC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068154 1019327765 /nfs/dbraw/zinc/32/77/65/1019327765.db2.gz MCDFIQQZDFJOQZ-IUCAKERBSA-N -1 0 318.341 -0.486 20 0 DBADRM C[C@H](C(=O)NC[C@]1(C)CCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001609069971 1019329176 /nfs/dbraw/zinc/32/91/76/1019329176.db2.gz HYIBTOHFUWBWJC-PELKAZGASA-N -1 0 306.330 -0.296 20 0 DBADRM C[C@H](C(=O)OCC(=O)C1CCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609071826 1019330059 /nfs/dbraw/zinc/33/00/59/1019330059.db2.gz RJKJEYRETYEVSW-SSDOTTSWSA-N -1 0 305.298 -0.068 20 0 DBADRM C[C@H](C(=O)OCc1ncccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001609072612 1019331501 /nfs/dbraw/zinc/33/15/01/1019331501.db2.gz XYOJTXHIFPCCMT-SSDOTTSWSA-N -1 0 301.270 -0.447 20 0 DBADRM C[C@@H](C(=O)OCC(=O)N1CCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609072037 1019332381 /nfs/dbraw/zinc/33/23/81/1019332381.db2.gz ZRXMIKWZOAWULM-QMMMGPOBSA-N -1 0 320.313 -0.815 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCSC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609070652 1019332772 /nfs/dbraw/zinc/33/27/72/1019332772.db2.gz OWTZNDQMPWWIPA-HTQZYQBOSA-N -1 0 308.371 -0.112 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCC[C@H](O)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001609070551 1019332885 /nfs/dbraw/zinc/33/28/85/1019332885.db2.gz NTMBBLMKUGSDAF-BBBLOLIVSA-N -1 0 320.357 -0.314 20 0 DBADRM C[C@H](C(=O)N(C)C[C@H]1CCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068520 1019333056 /nfs/dbraw/zinc/33/30/56/1019333056.db2.gz RADMZFKGADULQY-RKDXNWHRSA-N -1 0 306.330 -0.343 20 0 DBADRM C[C@@H](C(=O)NCc1ncccc1F)n1cnc(-c2nnn[n-]2)n1 ZINC001609069557 1019333633 /nfs/dbraw/zinc/33/36/33/1019333633.db2.gz BGBRUPABKLWCOX-ZETCQYMHSA-N -1 0 317.288 -0.130 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCC[C@@H](O)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001609070558 1019334355 /nfs/dbraw/zinc/33/43/55/1019334355.db2.gz NTMBBLMKUGSDAF-OPRDCNLKSA-N -1 0 320.357 -0.314 20 0 DBADRM CC(C)N(CC(N)=O)C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609098384 1019339236 /nfs/dbraw/zinc/33/92/36/1019339236.db2.gz JCXUBRGZNGCAKR-UHFFFAOYSA-N -1 0 304.310 -0.092 20 0 DBADRM C[C@H](NC(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@H]1CCOC1 ZINC001609120282 1019343683 /nfs/dbraw/zinc/34/36/83/1019343683.db2.gz CSFZDWXUTGGPLS-IUCAKERBSA-N -1 0 321.345 -0.818 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)Cn1cccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001609116231 1019343736 /nfs/dbraw/zinc/34/37/36/1019343736.db2.gz DNDNCSBVBYQQAW-DTWKUNHWSA-N -1 0 316.329 -0.579 20 0 DBADRM C[C@](O)(CNc1nc2c(cc1-c1nn[nH]n1)CCC2)C(=O)[O-] ZINC001609127825 1019349710 /nfs/dbraw/zinc/34/97/10/1019349710.db2.gz YCKQOACENDGZDI-ZDUSSCGKSA-N -1 0 304.310 -0.002 20 0 DBADRM CC(C)N(C[C@@H](C)O)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609129537 1019351687 /nfs/dbraw/zinc/35/16/87/1019351687.db2.gz SHPQMWIVVPYASP-SECBINFHSA-N -1 0 323.361 -0.741 20 0 DBADRM C[C@@H](CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C[C@H](C)O ZINC001609128290 1019352172 /nfs/dbraw/zinc/35/21/72/1019352172.db2.gz KDNBBCLZEMQKSP-VGMNWLOBSA-N -1 0 308.346 -0.458 20 0 DBADRM Cc1cscc1C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575000126 1019352448 /nfs/dbraw/zinc/35/24/48/1019352448.db2.gz ORWSLDCMZFYFMM-UHFFFAOYSA-N -1 0 323.334 -0.187 20 0 DBADRM CC1(C)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C[C@H]1O ZINC001609147038 1019355311 /nfs/dbraw/zinc/35/53/11/1019355311.db2.gz HMTOKKIJNKXPJV-MRVPVSSYSA-N -1 0 313.339 -0.149 20 0 DBADRM CC1(C)CN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C[C@H]1O ZINC001609147251 1019357144 /nfs/dbraw/zinc/35/71/44/1019357144.db2.gz QIJMKNKGLJFHKV-SECBINFHSA-N -1 0 324.366 -0.347 20 0 DBADRM C[C@H]1[C@@H](C)N(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@H]1C ZINC001609175394 1019363077 /nfs/dbraw/zinc/36/30/77/1019363077.db2.gz PIVBEEAWCJAGAG-IWSPIJDZSA-N -1 0 319.369 -0.255 20 0 DBADRM C[C@@H]1CN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001609170500 1019364125 /nfs/dbraw/zinc/36/41/25/1019364125.db2.gz BWBAUBDVTGDJQK-DTORHVGOSA-N -1 0 321.345 -0.723 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C[C@H](CO)O1 ZINC001609171719 1019366765 /nfs/dbraw/zinc/36/67/65/1019366765.db2.gz KLENWPNXNJDZTE-PSASIEDQSA-N -1 0 319.321 -0.206 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCO1 ZINC001609201359 1019369353 /nfs/dbraw/zinc/36/93/53/1019369353.db2.gz FYPOMJQPAQMWKZ-SECBINFHSA-N -1 0 306.330 -0.514 20 0 DBADRM CC[C@@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)OC ZINC001609190209 1019369502 /nfs/dbraw/zinc/36/95/02/1019369502.db2.gz CCOPCPFPSXWORZ-ZETCQYMHSA-N -1 0 309.330 -0.899 20 0 DBADRM CCC1(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCOCC1 ZINC001609198178 1019370168 /nfs/dbraw/zinc/37/01/68/1019370168.db2.gz OBJURSCQBPIPAY-UHFFFAOYSA-N -1 0 306.330 -0.466 20 0 DBADRM CC[C@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)(C)O ZINC001609192147 1019370889 /nfs/dbraw/zinc/37/08/89/1019370889.db2.gz XFPMTNFLOCYWSF-SFYZADRCSA-N -1 0 308.346 -0.315 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001609221760 1019376866 /nfs/dbraw/zinc/37/68/66/1019376866.db2.gz TVTSYQPHBMBVER-UHFFFAOYSA-N -1 0 311.323 -0.038 20 0 DBADRM CCOCC(=O)Cn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O ZINC001609239672 1019381010 /nfs/dbraw/zinc/38/10/10/1019381010.db2.gz SIRWSGAWOMGMPP-UHFFFAOYSA-N -1 0 321.293 -0.579 20 0 DBADRM CCOC(C)(C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001609236382 1019382361 /nfs/dbraw/zinc/38/23/61/1019382361.db2.gz JNHYZVDNYFHNFY-UHFFFAOYSA-N -1 0 323.357 -0.509 20 0 DBADRM CCN1CN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)CC1=O ZINC001609228998 1019386761 /nfs/dbraw/zinc/38/67/61/1019386761.db2.gz XIWKVZFFXGKESD-UHFFFAOYSA-N -1 0 323.338 -0.928 20 0 DBADRM CCc1ccnc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC001609253850 1019391235 /nfs/dbraw/zinc/39/12/35/1019391235.db2.gz SUICGBWKQKSFLR-UHFFFAOYSA-N -1 0 313.325 -0.268 20 0 DBADRM CCn1ccnc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609258423 1019391845 /nfs/dbraw/zinc/39/18/45/1019391845.db2.gz HTSXLNANGBXQHL-UHFFFAOYSA-N -1 0 302.302 -0.895 20 0 DBADRM CN(c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C1CC(C)(C)C1 ZINC001609281563 1019400852 /nfs/dbraw/zinc/40/08/52/1019400852.db2.gz NGDMHWJEYMAFJO-UHFFFAOYSA-N -1 0 319.369 -0.111 20 0 DBADRM CNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc(=O)[nH][n-]1 ZINC001609291013 1019409441 /nfs/dbraw/zinc/40/94/41/1019409441.db2.gz NWPWYLVEGGXEPE-UHFFFAOYSA-N -1 0 300.282 -0.277 20 0 DBADRM COC(=O)[C@]1(F)CCN(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001609294712 1019412100 /nfs/dbraw/zinc/41/21/00/1019412100.db2.gz XPZXLVMSLZBJER-ZDUSSCGKSA-N -1 0 322.300 -0.427 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2nnc(C)[nH]2)c1 ZINC001609302104 1019416551 /nfs/dbraw/zinc/41/65/51/1019416551.db2.gz SLXBTOVNBZQZKS-UHFFFAOYSA-N -1 0 316.281 -0.710 20 0 DBADRM COC1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)CC1 ZINC001609310164 1019416970 /nfs/dbraw/zinc/41/69/70/1019416970.db2.gz FRFAGLIGKDZPLS-UHFFFAOYSA-N -1 0 324.322 -0.754 20 0 DBADRM COC(=O)c1ccc(NCCn2cnc(-c3nnn[n-]3)n2)nc1 ZINC001609303939 1019421979 /nfs/dbraw/zinc/42/19/79/1019421979.db2.gz WGYOFNFAXZOJGF-UHFFFAOYSA-N -1 0 315.297 -0.248 20 0 DBADRM COc1cc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)nn1C ZINC001609346074 1019436519 /nfs/dbraw/zinc/43/65/19/1019436519.db2.gz BFQPLJGXPIRTAA-LURJTMIESA-N -1 0 318.301 -0.600 20 0 DBADRM COc1c(-c2nnn[n-]2)ccc(=O)n1CC(=O)N1CCCC1 ZINC001609332951 1019438117 /nfs/dbraw/zinc/43/81/17/1019438117.db2.gz ZGXPADSKLPYEMM-UHFFFAOYSA-N -1 0 304.310 -0.341 20 0 DBADRM CSC1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCC1 ZINC001609369100 1019444668 /nfs/dbraw/zinc/44/46/68/1019444668.db2.gz LMNIZSZJQDUXQK-UHFFFAOYSA-N -1 0 308.371 -0.140 20 0 DBADRM CC(C)(C)OC(=O)[C@]1(C(=O)[N-]OC(C)(C)CO)CNCCO1 ZINC001575149015 1019445502 /nfs/dbraw/zinc/44/55/02/1019445502.db2.gz LFMZEPGLOWETAH-CQSZACIVSA-N -1 0 318.370 -0.495 20 0 DBADRM Cc1cc(COC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)ncn1 ZINC001609402099 1019451413 /nfs/dbraw/zinc/45/14/13/1019451413.db2.gz QGNSJGDMBCFHNR-QMMMGPOBSA-N -1 0 315.297 -0.139 20 0 DBADRM Cc1c([C@H](C)NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cnn1C ZINC001609382407 1019452068 /nfs/dbraw/zinc/45/20/68/1019452068.db2.gz BAQHPBMZVYKGPL-ZETCQYMHSA-N -1 0 316.329 -0.622 20 0 DBADRM Cc1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c(C)n1C ZINC001609394574 1019453042 /nfs/dbraw/zinc/45/30/42/1019453042.db2.gz JATYGXWACYHHER-UHFFFAOYSA-N -1 0 315.341 -0.156 20 0 DBADRM Cc1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1-c1nn[nH]n1 ZINC001609419274 1019454872 /nfs/dbraw/zinc/45/48/72/1019454872.db2.gz WUWPGYKCELCZOY-UHFFFAOYSA-N -1 0 315.293 -0.176 20 0 DBADRM Cc1ccc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)cc1O ZINC001609419081 1019457050 /nfs/dbraw/zinc/45/70/50/1019457050.db2.gz KRIPGGCZJFIEFJ-UHFFFAOYSA-N -1 0 314.309 -0.098 20 0 DBADRM Cc1nnc(CCNC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)[nH]1 ZINC001609449728 1019462441 /nfs/dbraw/zinc/46/24/41/1019462441.db2.gz IZMJDXJVMHMNIA-UHFFFAOYSA-N -1 0 314.309 -0.029 20 0 DBADRM Cc1ncc(S(=O)(=O)[N-]c2cnnn2C)cc1-c1nn[nH]n1 ZINC001609456268 1019468282 /nfs/dbraw/zinc/46/82/82/1019468282.db2.gz IUMWOLKMMAKZRZ-UHFFFAOYSA-N -1 0 321.326 -0.501 20 0 DBADRM Cn1ncc(CNC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)n1 ZINC001609482342 1019480238 /nfs/dbraw/zinc/48/02/38/1019480238.db2.gz WDPNOUTZHAYMIP-UHFFFAOYSA-N -1 0 300.282 -0.369 20 0 DBADRM O=C(COc1ccsc1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609533763 1019503759 /nfs/dbraw/zinc/50/37/59/1019503759.db2.gz UKWJSACMHRUHFZ-UHFFFAOYSA-N -1 0 320.338 -0.285 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1nnc2n1CCCC2 ZINC001609537925 1019505121 /nfs/dbraw/zinc/50/51/21/1019505121.db2.gz CXAVSGBXHNCBRW-UHFFFAOYSA-N -1 0 315.301 -0.975 20 0 DBADRM O=C(COC(=O)c1ccc(-c2nnn[n-]2)o1)NC[C@H]1CCCO1 ZINC001609529614 1019506033 /nfs/dbraw/zinc/50/60/33/1019506033.db2.gz XYLSGKUNEDCYRG-MRVPVSSYSA-N -1 0 321.293 -0.088 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cnc(Cl)cn1 ZINC001609552375 1019515784 /nfs/dbraw/zinc/51/57/84/1019515784.db2.gz IBGFXXVWMWGIIJ-UHFFFAOYSA-N -1 0 320.704 -0.668 20 0 DBADRM C[C@H](NC(=O)Cn1nnc(N)n1)c1ccc(-c2nn[nH]n2)cc1 ZINC001575299099 1019519859 /nfs/dbraw/zinc/51/98/59/1019519859.db2.gz ZMPMYMXIHISNQZ-ZETCQYMHSA-N -1 0 314.313 -0.687 20 0 DBADRM CC(=O)N1CCC[C@@H](CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC001609590997 1019523372 /nfs/dbraw/zinc/52/33/72/1019523372.db2.gz BGQUMHYOYYUAOL-NWDGAFQWSA-N -1 0 313.354 -0.260 20 0 DBADRM O=S(=O)(NC[C@@H]1COCCO1)c1ccc(-c2nnn[n-]2)o1 ZINC001609595059 1019525605 /nfs/dbraw/zinc/52/56/05/1019525605.db2.gz UBICMMPQDRFWMR-SSDOTTSWSA-N -1 0 315.311 -0.847 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)OCC(=O)NCCC(=O)[O-])C1 ZINC001609591417 1019526475 /nfs/dbraw/zinc/52/64/75/1019526475.db2.gz ZEFAZFRFQHQLEZ-SNVBAGLBSA-N -1 0 300.311 -0.621 20 0 DBADRM O=c1[n-]c([C@@H]2CCCN(c3cnc(-c4nn[nH]n4)cn3)C2)n[nH]1 ZINC001609605125 1019528503 /nfs/dbraw/zinc/52/85/03/1019528503.db2.gz JYBBCOOBWLLCAF-SSDOTTSWSA-N -1 0 314.313 -0.136 20 0 DBADRM C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)nc1)C1N=NC(=O)N1C ZINC001575325271 1019531038 /nfs/dbraw/zinc/53/10/38/1019531038.db2.gz CNKIVSSZOKAYKE-ZCFIWIBFSA-N -1 0 315.297 -0.413 20 0 DBADRM CCC1(C(=O)N2CC[C@@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001505819638 1019531469 /nfs/dbraw/zinc/53/14/69/1019531469.db2.gz WLUUDZAJPGMRGO-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM CC(=O)NCCCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001609621429 1019534337 /nfs/dbraw/zinc/53/43/37/1019534337.db2.gz GUNXJZQPNORPKB-SMDDNHRTSA-N -1 0 313.354 -0.355 20 0 DBADRM CC(=O)NC[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001609619883 1019535443 /nfs/dbraw/zinc/53/54/43/1019535443.db2.gz CMWMZPUBPDZTSS-SNVBAGLBSA-N -1 0 309.326 -0.649 20 0 DBADRM CC(=O)NC(C)(C)C(N)=NOCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001609612082 1019535702 /nfs/dbraw/zinc/53/57/02/1019535702.db2.gz UOQQAOGELXRITA-JTQLQIEISA-N -1 0 316.358 -0.375 20 0 DBADRM CC(=O)N[C@@H](CSCC(=O)Nc1cc(C)nn1C)C(=O)[O-] ZINC001609622926 1019535827 /nfs/dbraw/zinc/53/58/27/1019535827.db2.gz WDKRDRBLIDMVFN-VIFPVBQESA-N -1 0 314.367 -0.010 20 0 DBADRM C[C@@H](C(=O)N[C@H](CO)C(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC001609634793 1019538113 /nfs/dbraw/zinc/53/81/13/1019538113.db2.gz NLZDZXLCUCLLOM-OIBJUYFYSA-N -1 0 319.310 -0.450 20 0 DBADRM C[C@@H](C(=O)N[C@H](CF)C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001609634758 1019538538 /nfs/dbraw/zinc/53/85/38/1019538538.db2.gz LPAUDISPBINYTO-IONNQARKSA-N -1 0 311.331 -0.492 20 0 DBADRM C[C@H](C(=O)OCc1noc(CCC(=O)[O-])n1)S(C)(=O)=O ZINC001609647033 1019541891 /nfs/dbraw/zinc/54/18/91/1019541891.db2.gz OOWWMMQETPJPKT-ZCFIWIBFSA-N -1 0 306.296 -0.437 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCCO1)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001609636062 1019542099 /nfs/dbraw/zinc/54/20/99/1019542099.db2.gz KAPJWIYJVCTSMU-YFKTTZPYSA-N -1 0 300.355 -0.156 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@H](CS(C)(=O)=O)C1 ZINC001609635525 1019542191 /nfs/dbraw/zinc/54/21/91/1019542191.db2.gz ZRPFZLDHIASXKN-ZJUUUORDSA-N -1 0 306.384 -0.668 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@H]3CC(C(=O)[O-])=NO3)[C@H]2C1 ZINC001609645835 1019542311 /nfs/dbraw/zinc/54/23/11/1019542311.db2.gz RGBGQDMWMDMWPB-MRBYEJRBSA-N -1 0 323.349 -0.021 20 0 DBADRM CC(C)(C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)N1CCOCC1 ZINC001609647342 1019542448 /nfs/dbraw/zinc/54/24/48/1019542448.db2.gz FKWLJTQUTFOWTL-WDEREUQCSA-N -1 0 300.355 -0.609 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001609657756 1019543798 /nfs/dbraw/zinc/54/37/98/1019543798.db2.gz FYJVEQSJNGEJKL-DTORHVGOSA-N -1 0 313.354 -0.613 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CN1CCOC[C@@H]1CC(=O)[O-] ZINC001609657790 1019544239 /nfs/dbraw/zinc/54/42/39/1019544239.db2.gz HAXZQRVKILZTSI-JTQLQIEISA-N -1 0 315.370 -0.807 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])C1 ZINC001609658842 1019544264 /nfs/dbraw/zinc/54/42/64/1019544264.db2.gz PWQSGIHTAQJIJH-AMIZOPFISA-N -1 0 316.310 -0.575 20 0 DBADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CN2CCNCC2=O)C1 ZINC001609649559 1019544364 /nfs/dbraw/zinc/54/43/64/1019544364.db2.gz LGLKVPTXFGWQMW-NSHDSACASA-N -1 0 311.382 -0.232 20 0 DBADRM CC(C)(C(=O)OCC(=O)NCCC(=O)[O-])N1CCOCC1 ZINC001609652544 1019545216 /nfs/dbraw/zinc/54/52/16/1019545216.db2.gz YCXRHDJNFCYJPI-UHFFFAOYSA-N -1 0 302.327 -0.769 20 0 DBADRM CC(=O)N1CCc2c1cccc2NC(=O)C(=O)NCC(=O)[O-] ZINC001609663047 1019545807 /nfs/dbraw/zinc/54/58/07/1019545807.db2.gz UJYHATCEISVTDU-UHFFFAOYSA-N -1 0 305.290 -0.265 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCN2C(=O)CC[C@H]2C1)C(=O)[O-] ZINC001609677456 1019547108 /nfs/dbraw/zinc/54/71/08/1019547108.db2.gz VTOKYANCCYMBOS-VIFPVBQESA-N -1 0 304.368 -0.266 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)C(C)(C)C(N)=O)C(=O)[O-] ZINC001609693818 1019547691 /nfs/dbraw/zinc/54/76/91/1019547691.db2.gz FHGKVCFDLXBIEO-QMMMGPOBSA-N -1 0 302.327 -0.343 20 0 DBADRM CC(=O)NCCN(Cc1nnnn1C(C)(C)C)[C@@H](C)C(=O)[O-] ZINC001609676189 1019548429 /nfs/dbraw/zinc/54/84/29/1019548429.db2.gz XWSLAVOGKMJURO-VIFPVBQESA-N -1 0 312.374 -0.161 20 0 DBADRM CC(C)(CS(=O)(=O)NCc1nnc2n1CCOC2)C(=O)[O-] ZINC001609677899 1019548600 /nfs/dbraw/zinc/54/86/00/1019548600.db2.gz JJUPTWFNXZCRMJ-UHFFFAOYSA-N -1 0 318.355 -0.662 20 0 DBADRM CC(C)(NC(=O)C(=O)Nc1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC001609678916 1019548802 /nfs/dbraw/zinc/54/88/02/1019548802.db2.gz OWYGDVIBZHCEBZ-UHFFFAOYSA-N -1 0 323.305 -0.531 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1cnn(C)c1N)C(=O)[O-] ZINC001609702590 1019550564 /nfs/dbraw/zinc/55/05/64/1019550564.db2.gz WBGAFCCURWCLSJ-VIFPVBQESA-N -1 0 311.342 -0.652 20 0 DBADRM CC(C)COC(=O)N1CCN([C@H](C)C(=O)NCC(=O)[O-])CC1 ZINC001609699818 1019551727 /nfs/dbraw/zinc/55/17/27/1019551727.db2.gz LYPBWEXGPDLWHI-LLVKDONJSA-N -1 0 315.370 -0.014 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])n1ccnc1 ZINC001609696284 1019552235 /nfs/dbraw/zinc/55/22/35/1019552235.db2.gz IXWVPUOGGQWVEB-IUCAKERBSA-N -1 0 301.324 -0.846 20 0 DBADRM CC(C)n1ccc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)n1 ZINC001609724325 1019555125 /nfs/dbraw/zinc/55/51/25/1019555125.db2.gz IPONPGLJCLVKIV-ZJUUUORDSA-N -1 0 324.337 -0.304 20 0 DBADRM CC(C)[C@H](NC(=O)CN(C)[C@@H](C)CN1CCOCC1)C(=O)[O-] ZINC001609715965 1019555723 /nfs/dbraw/zinc/55/57/23/1019555723.db2.gz LZPXVYWDCXUDRD-JSGCOSHPSA-N -1 0 315.414 -0.136 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@@H](C)c1nnc2n1CCC2)C(=O)[O-] ZINC001609750600 1019558487 /nfs/dbraw/zinc/55/84/87/1019558487.db2.gz QBJXNYFBLHWIKA-YUMQZZPRSA-N -1 0 302.356 -0.075 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001609747714 1019558770 /nfs/dbraw/zinc/55/87/70/1019558770.db2.gz HFZXCKUDOGASHG-AOUSDQRYSA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@H](Cc1ccco1)NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001609749095 1019559372 /nfs/dbraw/zinc/55/93/72/1019559372.db2.gz APKGWADVLRDAHL-GMTAPVOTSA-N -1 0 324.333 -0.379 20 0 DBADRM C[C@@H](CNC(=O)c1cccc(CC(=O)[O-])c1)S(N)(=O)=O ZINC001609745852 1019559636 /nfs/dbraw/zinc/55/96/36/1019559636.db2.gz GLYYJSNUZDCKNC-QMMMGPOBSA-N -1 0 300.336 -0.280 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccc[nH]1 ZINC001609756292 1019560515 /nfs/dbraw/zinc/56/05/15/1019560515.db2.gz CINOGBCUFVKXFB-VHSXEESVSA-N -1 0 309.322 -0.106 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C1CCOCC1 ZINC001609756779 1019560565 /nfs/dbraw/zinc/56/05/65/1019560565.db2.gz HLKOSZGPYRYFIY-KOLCDFICSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ncn(C)n1 ZINC001609756337 1019561405 /nfs/dbraw/zinc/56/14/05/1019561405.db2.gz DCRYVYQAGFCHCG-RKDXNWHRSA-N -1 0 309.326 -0.542 20 0 DBADRM CC(C)(C)CN(CCO)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001609754994 1019562187 /nfs/dbraw/zinc/56/21/87/1019562187.db2.gz IDCRWEYKHUDSOQ-JTQLQIEISA-N -1 0 316.354 -0.835 20 0 DBADRM C[C@H](O)CN(C)C(=O)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001609788320 1019564263 /nfs/dbraw/zinc/56/42/63/1019564263.db2.gz WUASXEBWYSLSQP-BQBZGAKWSA-N -1 0 315.351 -0.142 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001609787309 1019564856 /nfs/dbraw/zinc/56/48/56/1019564856.db2.gz BCZFMLVIPPYTLM-MAWWSGROSA-N -1 0 306.318 -0.612 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N[C@]2(CC(=O)[O-])CCCOC2)nn1 ZINC001609790868 1019564885 /nfs/dbraw/zinc/56/48/85/1019564885.db2.gz JWUPYWPSSQAYFL-RNCFNFMXSA-N -1 0 312.326 -0.529 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001609787432 1019565023 /nfs/dbraw/zinc/56/50/23/1019565023.db2.gz CCJRWWHQPZWSHU-HNNXBMFYSA-N -1 0 308.334 -0.078 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001609788028 1019565247 /nfs/dbraw/zinc/56/52/47/1019565247.db2.gz HEUBEEAFXBYGRT-AWEZNQCLSA-N -1 0 320.305 -0.481 20 0 DBADRM C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001609787589 1019566204 /nfs/dbraw/zinc/56/62/04/1019566204.db2.gz IHHIURWTQDHFPI-VHSXEESVSA-N -1 0 309.384 -0.101 20 0 DBADRM C[C@@H](OC(=O)c1ccccc1OCC(N)=O)C(=O)NCC(=O)[O-] ZINC001609800560 1019567299 /nfs/dbraw/zinc/56/72/99/1019567299.db2.gz KMLOKSMDCDLSAM-MRVPVSSYSA-N -1 0 324.289 -0.703 20 0 DBADRM C[C@H](OC(=O)CCNS(C)(=O)=O)C(=O)C(C)(C)C(=O)[O-] ZINC001609793739 1019567367 /nfs/dbraw/zinc/56/73/67/1019567367.db2.gz JLYGYRWBVGVQND-ZETCQYMHSA-N -1 0 309.340 -0.463 20 0 DBADRM C[C@@H](OC[C@@H]1CCCO1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001609803134 1019567800 /nfs/dbraw/zinc/56/78/00/1019567800.db2.gz YERSQSZEFDRJHJ-ZJUUUORDSA-N -1 0 312.326 -0.323 20 0 DBADRM C[C@H](OC(=O)c1cncc(-n2ccnn2)c1)C(=O)NCC(=O)[O-] ZINC001609798781 1019567910 /nfs/dbraw/zinc/56/79/10/1019567910.db2.gz DCIZNSGJQHLMPJ-QMMMGPOBSA-N -1 0 319.277 -0.592 20 0 DBADRM C[C@@H](OC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)NCC(=O)[O-] ZINC001609793239 1019567974 /nfs/dbraw/zinc/56/79/74/1019567974.db2.gz LYIXHJMISCNENR-GQDPBHBBSA-N -1 0 313.306 -0.639 20 0 DBADRM C[C@@H](OC(=O)COc1ccc(CO)cc1)C(=O)NCC(=O)[O-] ZINC001609800511 1019568499 /nfs/dbraw/zinc/56/84/99/1019568499.db2.gz VPZCMVDONZXABS-SECBINFHSA-N -1 0 311.290 -0.310 20 0 DBADRM C[C@H](OC(=O)c1ccc(=O)n(C)n1)c1cn(CC(=O)[O-])nn1 ZINC001609798074 1019568654 /nfs/dbraw/zinc/56/86/54/1019568654.db2.gz LPOWXIMQKKDTDE-ZETCQYMHSA-N -1 0 307.266 -0.626 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001609807074 1019571667 /nfs/dbraw/zinc/57/16/67/1019571667.db2.gz ULUQXDHXXORMEY-PRJMDXOYSA-N -1 0 300.340 -0.658 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001609806956 1019571761 /nfs/dbraw/zinc/57/17/61/1019571761.db2.gz SMSAISIESRCSKJ-MRVPVSSYSA-N -1 0 314.367 -0.266 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001609831316 1019572814 /nfs/dbraw/zinc/57/28/14/1019572814.db2.gz UFHYZJHJRNBNNU-VIFPVBQESA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@H]1C(=O)N(C)CN1CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001609830916 1019572979 /nfs/dbraw/zinc/57/29/79/1019572979.db2.gz QEOAIFUMDZUMDR-ISVAXAHUSA-N -1 0 312.326 -0.761 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCCC1CS(=O)(=O)C1 ZINC001609830978 1019573180 /nfs/dbraw/zinc/57/31/80/1019573180.db2.gz HTYSFKDGAOZUAV-SCZZXKLOSA-N -1 0 304.368 -0.074 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)O1 ZINC001609819574 1019573517 /nfs/dbraw/zinc/57/35/17/1019573517.db2.gz JUQBEKJEYHVJQN-RKDXNWHRSA-N -1 0 300.311 -0.813 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001609830631 1019573552 /nfs/dbraw/zinc/57/35/52/1019573552.db2.gz NTJSZBSPWPBBLH-ZJUUUORDSA-N -1 0 323.349 -0.953 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001609829916 1019574259 /nfs/dbraw/zinc/57/42/59/1019574259.db2.gz GHGHFQAETGXEIE-QMMMGPOBSA-N -1 0 313.335 -0.369 20 0 DBADRM CC1(C)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001609818951 1019574296 /nfs/dbraw/zinc/57/42/96/1019574296.db2.gz NUANVCXRMXMZCZ-SCZZXKLOSA-N -1 0 321.337 -0.336 20 0 DBADRM CC1=C(C)CN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001609829029 1019574575 /nfs/dbraw/zinc/57/45/75/1019574575.db2.gz VXSZPUNTHFKQNS-RYUDHWBXSA-N -1 0 310.350 -0.151 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCc1ccc(C(N)=O)o1 ZINC001609837942 1019575704 /nfs/dbraw/zinc/57/57/04/1019575704.db2.gz XCZCBYFAPZQXIR-APPZFPTMSA-N -1 0 323.305 -0.684 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NC1COC(C)(C)OC1 ZINC001609838233 1019575801 /nfs/dbraw/zinc/57/58/01/1019575801.db2.gz XHFZOVZHSZCBHY-PSASIEDQSA-N -1 0 314.338 -0.424 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC001609832415 1019576539 /nfs/dbraw/zinc/57/65/39/1019576539.db2.gz HZYBXFAQCRMOMG-DVVUODLYSA-N -1 0 320.349 -0.295 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCc1cnccn1 ZINC001609836789 1019576958 /nfs/dbraw/zinc/57/69/58/1019576958.db2.gz URTZZKUNJIMFPO-KOLCDFICSA-N -1 0 306.322 -0.543 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC001609835738 1019577690 /nfs/dbraw/zinc/57/76/90/1019577690.db2.gz RKDNNBWUSFLLHS-MWLCHTKSSA-N -1 0 323.349 -0.859 20 0 DBADRM CC(C)c1ncc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC001609863321 1019578670 /nfs/dbraw/zinc/57/86/70/1019578670.db2.gz WSGFGMSZWQQYCJ-JTQLQIEISA-N -1 0 322.321 -0.150 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@@H](C(=O)[O-])C1 ZINC001609858960 1019579196 /nfs/dbraw/zinc/57/91/96/1019579196.db2.gz CHYUPUSHYSWRCJ-GXSJLCMTSA-N -1 0 319.321 -0.397 20 0 DBADRM C[C@@H](OC(=O)C(=O)N1CCC(C)CC1)C(=O)NCC(=O)[O-] ZINC001609857659 1019579780 /nfs/dbraw/zinc/57/97/80/1019579780.db2.gz VDPJFBDCEZMZBI-SECBINFHSA-N -1 0 300.311 -0.623 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC([C@@H](O)C(=O)[O-])CC2)CCO1 ZINC001609863833 1019579956 /nfs/dbraw/zinc/57/99/56/1019579956.db2.gz GHXPWZRHQQDWER-ZWNOBZJWSA-N -1 0 300.355 -0.609 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC[S@]1=O ZINC001609860538 1019580151 /nfs/dbraw/zinc/58/01/51/1019580151.db2.gz NCTMLXXXUAITSP-DYBLOJMWSA-N -1 0 312.413 -0.519 20 0 DBADRM C[C@H]1CCS(=O)(=O)CCN1CCC(=O)N(C)CC(=O)[O-] ZINC001609862474 1019580544 /nfs/dbraw/zinc/58/05/44/1019580544.db2.gz MWIIWTHXNCZYIU-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM CC(C)[C@H](C)C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001505901857 1019580563 /nfs/dbraw/zinc/58/05/63/1019580563.db2.gz QYDJRIOMXLWMTD-IUCAKERBSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H]1CN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CC(=O)N1 ZINC001609868178 1019582807 /nfs/dbraw/zinc/58/28/07/1019582807.db2.gz DZQLKMBOHSGPAK-CMPLNLGQSA-N -1 0 308.334 -0.055 20 0 DBADRM C[C@@H]1CN(C(=O)CS(=O)(=O)C2CC2)CCN1CCC(=O)[O-] ZINC001609864449 1019583065 /nfs/dbraw/zinc/58/30/65/1019583065.db2.gz NRSUJLBCBPMROY-SNVBAGLBSA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)CC[S@](=O)C1 ZINC001609869776 1019583300 /nfs/dbraw/zinc/58/33/00/1019583300.db2.gz XOGGGUOGTWNEAQ-SQFXPLBJSA-N -1 0 300.340 -0.797 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001609872133 1019583338 /nfs/dbraw/zinc/58/33/38/1019583338.db2.gz SKMFZJOBKGGCNW-SECBINFHSA-N -1 0 321.399 -0.085 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)c1ccnn1C ZINC001609872296 1019583520 /nfs/dbraw/zinc/58/35/20/1019583520.db2.gz AIFZBQQVOPIFFQ-SNVBAGLBSA-N -1 0 316.383 -0.410 20 0 DBADRM C[C@H]1CN(C(=O)CS(=O)(=O)C2CC2)CCN1CCC(=O)[O-] ZINC001609864448 1019584045 /nfs/dbraw/zinc/58/40/45/1019584045.db2.gz NRSUJLBCBPMROY-JTQLQIEISA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001609868696 1019584059 /nfs/dbraw/zinc/58/40/59/1019584059.db2.gz VNBRWVHATSUAOY-ZCFIWIBFSA-N -1 0 319.364 -0.308 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001609877648 1019585925 /nfs/dbraw/zinc/58/59/25/1019585925.db2.gz BESBSMYMHPBHSB-QUBYGPBYSA-N -1 0 322.364 -0.341 20 0 DBADRM C/C=C\C[C@@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001609881076 1019586129 /nfs/dbraw/zinc/58/61/29/1019586129.db2.gz LAVNDDJCODYBCR-XOULXFPDSA-N -1 0 324.337 -0.342 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001609887175 1019586251 /nfs/dbraw/zinc/58/62/51/1019586251.db2.gz NKRVVYPDPAOXHI-YMTOWFKASA-N -1 0 311.338 -0.066 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001609880457 1019586645 /nfs/dbraw/zinc/58/66/45/1019586645.db2.gz WWDSQYMHWGRAFV-OIBJUYFYSA-N -1 0 314.294 -0.650 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)CCc1cn(CC(=O)[O-])nn1 ZINC001609881270 1019586786 /nfs/dbraw/zinc/58/67/86/1019586786.db2.gz OGCKCYNXYXYTSN-WCBMZHEXSA-N -1 0 303.340 -0.503 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC001609877633 1019587012 /nfs/dbraw/zinc/58/70/12/1019587012.db2.gz AZIOZBMSLSDGKK-IQJOONFLSA-N -1 0 300.311 -0.034 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CCO1 ZINC001575475846 1019587202 /nfs/dbraw/zinc/58/72/02/1019587202.db2.gz ZFNSBBIXGMULBZ-QPUJVOFHSA-N -1 0 319.321 -0.206 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)OCC(=O)NCCC(=O)[O-])C1 ZINC001609883831 1019587484 /nfs/dbraw/zinc/58/74/84/1019587484.db2.gz SAFXEZXQTUODOE-SNVBAGLBSA-N -1 0 314.338 -0.231 20 0 DBADRM C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N(C)CCC(=O)[O-] ZINC001609904033 1019588405 /nfs/dbraw/zinc/58/84/05/1019588405.db2.gz XJOFSQJRUMIJNB-LLVKDONJSA-N -1 0 315.370 -0.901 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)OCCNS(=O)(=O)c1cnn(C)c1 ZINC001609890359 1019588984 /nfs/dbraw/zinc/58/89/84/1019588984.db2.gz AYORSPGFLKFXHP-SECBINFHSA-N -1 0 319.339 -0.648 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001609913949 1019589396 /nfs/dbraw/zinc/58/93/96/1019589396.db2.gz GAMKSCWFSQGCTI-VIFPVBQESA-N -1 0 309.326 -0.894 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN[C@H](CO)c1cnn(C)c1)C(=O)[O-] ZINC001609899801 1019589656 /nfs/dbraw/zinc/58/96/56/1019589656.db2.gz MIGITCREPHEYKC-NDMJEZRESA-N -1 0 312.370 -0.341 20 0 DBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)Cn1ncn2nccc2c1=O ZINC001609895788 1019589992 /nfs/dbraw/zinc/58/99/92/1019589992.db2.gz QRKQQLNJAORSRG-ZDUSSCGKSA-N -1 0 307.310 -0.349 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N(CCO)C1CCOCC1)C(=O)[O-] ZINC001609887759 1019590601 /nfs/dbraw/zinc/59/06/01/1019590601.db2.gz UIMBQCQSSRKSDM-SNVBAGLBSA-N -1 0 316.354 -0.835 20 0 DBADRM CC[C@H](CNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001609922801 1019592052 /nfs/dbraw/zinc/59/20/52/1019592052.db2.gz ZUIKETAOMDVBIL-ZJUUUORDSA-N -1 0 306.384 -0.668 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1cnc2c(c1)COCC2)C(=O)[O-] ZINC001609943309 1019593518 /nfs/dbraw/zinc/59/35/18/1019593518.db2.gz RZRDDBAEOPNQGO-AWEZNQCLSA-N -1 0 323.305 -0.955 20 0 DBADRM CC[C@@H](CO)N1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC001609923657 1019593618 /nfs/dbraw/zinc/59/36/18/1019593618.db2.gz QCAUMAUWYQUCJF-NSHDSACASA-N -1 0 308.400 -0.431 20 0 DBADRM CC[C@@](COC)(NS(=O)(=O)C[C@H](C)C(=O)OC)C(=O)[O-] ZINC001609926956 1019593726 /nfs/dbraw/zinc/59/37/26/1019593726.db2.gz ZTAHJGVOVZTPJP-KWQFWETISA-N -1 0 311.356 -0.405 20 0 DBADRM CC[C@H](CSC)NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001609923936 1019593743 /nfs/dbraw/zinc/59/37/43/1019593743.db2.gz BMDSTJZMWLJGQG-IVZWLZJFSA-N -1 0 318.395 -0.462 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1 ZINC001609962937 1019594547 /nfs/dbraw/zinc/59/45/47/1019594547.db2.gz BKFFLCSILOKLDV-NXEZZACHSA-N -1 0 311.342 -0.111 20 0 DBADRM CCCN(Cn1cnc(C(=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 ZINC001609979345 1019595426 /nfs/dbraw/zinc/59/54/26/1019595426.db2.gz XGDGOXMNHJSHOI-VIFPVBQESA-N -1 0 302.356 -0.167 20 0 DBADRM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001609953448 1019596163 /nfs/dbraw/zinc/59/61/63/1019596163.db2.gz ZHCSOGNMAZLRCS-BBYBGLFNSA-N -1 0 316.379 -0.194 20 0 DBADRM CCCN1C[C@@H](CNS(=O)(=O)N(C)CCC(=O)[O-])CC1=O ZINC001609979068 1019596086 /nfs/dbraw/zinc/59/60/86/1019596086.db2.gz RAQFMKKCLBSQDL-SNVBAGLBSA-N -1 0 321.399 -0.514 20 0 DBADRM C[C@](O)(CNC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)[O-] ZINC001609955230 1019596126 /nfs/dbraw/zinc/59/61/26/1019596126.db2.gz BMGWUUVXXNXIFU-LBPRGKRZSA-N -1 0 316.335 -0.960 20 0 DBADRM C[C@@H](O)c1cn(C2CN(C(=O)c3cnc(C(=O)[O-])cn3)C2)nn1 ZINC001609972290 1019596827 /nfs/dbraw/zinc/59/68/27/1019596827.db2.gz JYJUJQGZQDANNX-SSDOTTSWSA-N -1 0 318.293 -0.483 20 0 DBADRM CCCNC(=O)NC(=O)CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001609980035 1019597976 /nfs/dbraw/zinc/59/79/76/1019597976.db2.gz OZJSXZPYOMZGPW-VIFPVBQESA-N -1 0 324.341 -0.541 20 0 DBADRM CCN(CCS(C)(=O)=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001610001857 1019599449 /nfs/dbraw/zinc/59/94/49/1019599449.db2.gz YFXXWFJZCCDBKQ-UHFFFAOYSA-N -1 0 318.355 -0.134 20 0 DBADRM CCN([C@H]1CCNC1=O)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001609995463 1019600110 /nfs/dbraw/zinc/60/01/10/1019600110.db2.gz KDPPJVXCSGKQAW-JTQLQIEISA-N -1 0 313.335 -0.321 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001610007347 1019602909 /nfs/dbraw/zinc/60/29/09/1019602909.db2.gz PDXJJZQRKLIIEP-UHFFFAOYSA-N -1 0 308.338 -0.393 20 0 DBADRM CCOC(=O)C1CCN(C(=O)Cn2cnc(C(=O)[O-])n2)CC1 ZINC001610014763 1019605062 /nfs/dbraw/zinc/60/50/62/1019605062.db2.gz TVVBPPDLEQXMMB-UHFFFAOYSA-N -1 0 310.310 -0.222 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c(C)onc1N ZINC001610034184 1019605643 /nfs/dbraw/zinc/60/56/43/1019605643.db2.gz NLLTWRKDLPTXIX-SSDOTTSWSA-N -1 0 307.328 -0.325 20 0 DBADRM CCOC(=O)CCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001610020444 1019605674 /nfs/dbraw/zinc/60/56/74/1019605674.db2.gz ZJNXVAYAPMDHCA-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM CCO[C@H]1C[C@](NC(=O)CSCC(N)=O)(C(=O)[O-])C1(C)C ZINC001610030493 1019605912 /nfs/dbraw/zinc/60/59/12/1019605912.db2.gz LQQMWQPDIXUGOD-SDBXPKJASA-N -1 0 318.395 -0.021 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccnn1COC ZINC001610033324 1019606533 /nfs/dbraw/zinc/60/65/33/1019606533.db2.gz GQMGLKJARRULEF-VIFPVBQESA-N -1 0 321.355 -0.403 20 0 DBADRM CC[S@@](=O)CC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001610050430 1019607969 /nfs/dbraw/zinc/60/79/69/1019607969.db2.gz ZYBROAJFABICEQ-HXUWFJFHSA-N -1 0 305.352 -0.379 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001610047946 1019608101 /nfs/dbraw/zinc/60/81/01/1019608101.db2.gz HMRGFQQSSBEQEM-VIFPVBQESA-N -1 0 306.365 -0.071 20 0 DBADRM CC[C@H](O)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001610055995 1019608740 /nfs/dbraw/zinc/60/87/40/1019608740.db2.gz SAOHOFHZQJKZIN-JOYOIKCWSA-N -1 0 322.317 -0.248 20 0 DBADRM CCS(=O)(=O)NCC(=O)O[C@H](C)C(=O)C(C)(C)C(=O)[O-] ZINC001610048209 1019608824 /nfs/dbraw/zinc/60/88/24/1019608824.db2.gz MYMINTQKMDQYQI-SSDOTTSWSA-N -1 0 309.340 -0.463 20 0 DBADRM CCS(=O)(=O)NCC(=O)O[C@@H](C)C(=O)C(C)(C)C(=O)[O-] ZINC001610048210 1019608884 /nfs/dbraw/zinc/60/88/84/1019608884.db2.gz MYMINTQKMDQYQI-ZETCQYMHSA-N -1 0 309.340 -0.463 20 0 DBADRM CCc1cnc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC001610068877 1019611176 /nfs/dbraw/zinc/61/11/76/1019611176.db2.gz DBWYVJMYULJUMY-MRVPVSSYSA-N -1 0 313.335 -0.044 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=S)NCCCC(=O)[O-])CC1 ZINC001610093286 1019613389 /nfs/dbraw/zinc/61/33/89/1019613389.db2.gz DYBUOZFVCYYUPM-UHFFFAOYSA-N -1 0 316.427 -0.569 20 0 DBADRM CCn1ncc(C(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])n1 ZINC001610087456 1019613867 /nfs/dbraw/zinc/61/38/67/1019613867.db2.gz AHDVOGUPRTUNIA-SCZZXKLOSA-N -1 0 310.310 -0.224 20 0 DBADRM CN(C)C(=O)NCCN(C)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001610094817 1019614738 /nfs/dbraw/zinc/61/47/38/1019614738.db2.gz BSSWFCZCSJEQOC-UHFFFAOYSA-N -1 0 309.388 -0.370 20 0 DBADRM CN(C)C(=O)O[C@H]1CCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1 ZINC001610094926 1019614991 /nfs/dbraw/zinc/61/49/91/1019614991.db2.gz DZFLFFWGAFXCIL-IUCAKERBSA-N -1 0 301.299 -0.378 20 0 DBADRM CCn1c(N)c(C(=O)CN2CC[C@H](C(=O)[O-])[C@H]2C)c(=O)[nH]c1=O ZINC001610087860 1019615106 /nfs/dbraw/zinc/61/51/06/1019615106.db2.gz ZOYHTHANXKTLIX-SFYZADRCSA-N -1 0 324.337 -0.471 20 0 DBADRM CN([C@@H]1CCNC1=O)S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001610107994 1019616418 /nfs/dbraw/zinc/61/64/18/1019616418.db2.gz UXXHERVUMKWPLN-LLVKDONJSA-N -1 0 312.347 -0.177 20 0 DBADRM CN(C)c1nc(C(=O)Nc2cnn(CC(=O)[O-])c2)cc(=O)[nH]1 ZINC001610106737 1019616462 /nfs/dbraw/zinc/61/64/62/1019616462.db2.gz GANPZIULTBDEBB-UHFFFAOYSA-N -1 0 306.282 -0.218 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001610110357 1019617881 /nfs/dbraw/zinc/61/78/81/1019617881.db2.gz COGDOJSJQPENNQ-UHFFFAOYSA-N -1 0 315.232 -0.455 20 0 DBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC1(CC(=O)[O-])CC1 ZINC001610108817 1019618365 /nfs/dbraw/zinc/61/83/65/1019618365.db2.gz DCQKITGOCYROHB-JTQLQIEISA-N -1 0 318.395 -0.524 20 0 DBADRM CN(CCN1CCCS1(=O)=O)c1ncc(C(=O)[O-])cn1 ZINC001610116254 1019621512 /nfs/dbraw/zinc/62/15/12/1019621512.db2.gz LGDLPTDBAQZFDI-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM C[C@H]1CCCC[C@@H]1C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575525345 1019623115 /nfs/dbraw/zinc/62/31/15/1019623115.db2.gz LRZGYVAKYRQYEA-IUCAKERBSA-N -1 0 323.353 -0.045 20 0 DBADRM CN1CCN(CC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)CC1=O ZINC001610134447 1019624241 /nfs/dbraw/zinc/62/42/41/1019624241.db2.gz JTBTXDWSWWUNKU-MRXNPFEDSA-N -1 0 319.361 -0.123 20 0 DBADRM CN1CCN(CC(=O)Nc2cccc(CC(=O)[O-])n2)CC1=O ZINC001610134279 1019624282 /nfs/dbraw/zinc/62/42/82/1019624282.db2.gz HXGAJTNEBBQTGW-UHFFFAOYSA-N -1 0 306.322 -0.579 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)Nc2ccn(CC(=O)[O-])n2)C1=O ZINC001610127665 1019624544 /nfs/dbraw/zinc/62/45/44/1019624544.db2.gz OGKBVXFENBIBKK-SSDOTTSWSA-N -1 0 309.282 -0.763 20 0 DBADRM CN1CC[C@@H](C(=O)OCc2noc(CCCC(=O)[O-])n2)C1=O ZINC001610129693 1019624555 /nfs/dbraw/zinc/62/45/55/1019624555.db2.gz RECSQEAZNQMJEE-MRVPVSSYSA-N -1 0 311.294 -0.002 20 0 DBADRM CC[C@H](NC(=O)N[C@@H](C)CC(=O)[O-])C(=O)N1CCOCC1 ZINC001610133260 1019624781 /nfs/dbraw/zinc/62/47/81/1019624781.db2.gz LHNZTAZCBKLNPA-UWVGGRQHSA-N -1 0 301.343 -0.214 20 0 DBADRM CN1CC[C@@H](C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)C1=O ZINC001610128840 1019624952 /nfs/dbraw/zinc/62/49/52/1019624952.db2.gz DSDBZPZSNQWOAL-SNVBAGLBSA-N -1 0 312.322 -0.669 20 0 DBADRM CN(CCc1cn(CC(=O)[O-])nn1)CC(=O)NCc1ccco1 ZINC001610119418 1019624995 /nfs/dbraw/zinc/62/49/95/1019624995.db2.gz UWACIXZWLXUUSI-UHFFFAOYSA-N -1 0 321.337 -0.254 20 0 DBADRM COC(=O)C1(NC(=O)[C@@H](C)CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001610157508 1019636731 /nfs/dbraw/zinc/63/67/31/1019636731.db2.gz ZPFCZVCKGRYJFQ-QMMMGPOBSA-N -1 0 321.351 -0.666 20 0 DBADRM CN1C[C@H](NS(=O)(=O)c2csnc2C(=O)[O-])CCC1=O ZINC001610133822 1019625061 /nfs/dbraw/zinc/62/50/61/1019625061.db2.gz LLBMWRNHUTWOKY-ZCFIWIBFSA-N -1 0 319.364 -0.260 20 0 DBADRM CN1CCN(c2cc(N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)ncn2)CC1=O ZINC001610137904 1019627283 /nfs/dbraw/zinc/62/72/83/1019627283.db2.gz ZXDOSMJMEOXGNE-MSRIBSCDSA-N -1 0 317.349 -0.478 20 0 DBADRM CN1CCN(C(=O)CN[C@H](C(=O)[O-])c2cccc(O)c2)CC1 ZINC001610136053 1019627632 /nfs/dbraw/zinc/62/76/32/1019627632.db2.gz ZJCFWEPRRPPYFB-AWEZNQCLSA-N -1 0 307.350 -0.119 20 0 DBADRM CNC(=O)CC1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC001610138457 1019627989 /nfs/dbraw/zinc/62/79/89/1019627989.db2.gz CGXHFXDPQJUINX-UHFFFAOYSA-N -1 0 309.326 -0.649 20 0 DBADRM CN1CN(S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])CC1=O ZINC001610138228 1019628646 /nfs/dbraw/zinc/62/86/46/1019628646.db2.gz HACXHJLJLPVBHY-UHFFFAOYSA-N -1 0 319.726 -0.147 20 0 DBADRM CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001610143567 1019629589 /nfs/dbraw/zinc/62/95/89/1019629589.db2.gz YTDXIVHZCNLGIQ-SECBINFHSA-N -1 0 316.335 -0.922 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001610141823 1019629817 /nfs/dbraw/zinc/62/98/17/1019629817.db2.gz UURSLFWARZUKAE-QMMMGPOBSA-N -1 0 307.306 -0.118 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001610139705 1019629937 /nfs/dbraw/zinc/62/99/37/1019629937.db2.gz WIJBHGMLFQUAIG-UHFFFAOYSA-N -1 0 321.333 -0.105 20 0 DBADRM CNC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NCCC(=O)[O-] ZINC001610141726 1019629971 /nfs/dbraw/zinc/62/99/71/1019629971.db2.gz PGMOOJPJJNXHRR-ZDUSSCGKSA-N -1 0 319.361 -0.250 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CCO1 ZINC001610180240 1019642851 /nfs/dbraw/zinc/64/28/51/1019642851.db2.gz UZVFYPZSFYLBLJ-ONGXEEELSA-N -1 0 302.327 -0.914 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1 ZINC001610140414 1019630417 /nfs/dbraw/zinc/63/04/17/1019630417.db2.gz MXWJMUIRPZALFS-PJXYFTJBSA-N -1 0 324.381 -0.831 20 0 DBADRM CC[C@H](C)[C@H](C)C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001575548680 1019630473 /nfs/dbraw/zinc/63/04/73/1019630473.db2.gz JFNADOVRKXAJLX-IUCAKERBSA-N -1 0 313.358 -0.396 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)CC[C@H]1CCOC1)C(=O)[O-] ZINC001610179328 1019642888 /nfs/dbraw/zinc/64/28/88/1019642888.db2.gz UZMRSYFXANFBLD-BDAKNGLRSA-N -1 0 309.340 -0.651 20 0 DBADRM CNC(=O)OC[C@@H]1CCCCN1CC(=O)NCCC(=O)[O-] ZINC001610141212 1019630572 /nfs/dbraw/zinc/63/05/72/1019630572.db2.gz XJVUUAXELYMANC-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM CNC(=O)COc1cccc(CC(=O)N[C@H](COC)C(=O)[O-])c1 ZINC001610140332 1019631702 /nfs/dbraw/zinc/63/17/02/1019631702.db2.gz VAJWNZIQFPAEQA-GFCCVEGCSA-N -1 0 324.333 -0.430 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(c2ncncc2C(=O)[O-])C1 ZINC001610146797 1019632952 /nfs/dbraw/zinc/63/29/52/1019632952.db2.gz UXQPSBXTEISUCU-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)N1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC001610146484 1019633386 /nfs/dbraw/zinc/63/33/86/1019633386.db2.gz FFTGAMBJWKCLEK-UHFFFAOYSA-N -1 0 303.340 -0.440 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)C(=O)[O-])o1 ZINC001610148709 1019633797 /nfs/dbraw/zinc/63/37/97/1019633797.db2.gz NOLLUMVSRNCTFM-YFKPBYRVSA-N -1 0 305.264 -0.613 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC001610156452 1019635638 /nfs/dbraw/zinc/63/56/38/1019635638.db2.gz SQQQLPBYAAPSNE-WPRPVWTQSA-N -1 0 323.367 -0.717 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC001610152710 1019635687 /nfs/dbraw/zinc/63/56/87/1019635687.db2.gz KBHDPYIXHILCGV-OPRDCNLKSA-N -1 0 323.367 -0.311 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cnc2nccnc2c1 ZINC001610152442 1019635875 /nfs/dbraw/zinc/63/58/75/1019635875.db2.gz JEZDXGOSJWDOCQ-SECBINFHSA-N -1 0 304.262 -0.229 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC001610154407 1019636277 /nfs/dbraw/zinc/63/62/77/1019636277.db2.gz YQSLIAVWJKEYRM-VGMNWLOBSA-N -1 0 300.311 -0.589 20 0 DBADRM COC(=O)C1(NC(=O)CN(C)C(C)=O)CCC(C(=O)[O-])CC1 ZINC001610155026 1019636525 /nfs/dbraw/zinc/63/65/25/1019636525.db2.gz SWEBQQCTIUGYSP-UHFFFAOYSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NCC(F)F)[C@@H](C(=O)[O-])C1 ZINC001610166540 1019638539 /nfs/dbraw/zinc/63/85/39/1019638539.db2.gz ILXQGHDHJQJPIQ-RNFRBKRXSA-N -1 0 322.264 -0.768 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC001610167581 1019638833 /nfs/dbraw/zinc/63/88/33/1019638833.db2.gz QJLGJZNWFVRFKD-JOYOIKCWSA-N -1 0 322.317 -0.069 20 0 DBADRM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)CCCC(=O)[O-] ZINC001610166835 1019639182 /nfs/dbraw/zinc/63/91/82/1019639182.db2.gz PKVPIZFACJFHKZ-VHSXEESVSA-N -1 0 323.367 -0.167 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)Cc1ccnn1C ZINC001610166950 1019640041 /nfs/dbraw/zinc/64/00/41/1019640041.db2.gz CUDBRJRGTOYMRQ-GXSJLCMTSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H]1CCn2c(C)ncc2C1)C(=O)[O-] ZINC001610179085 1019641324 /nfs/dbraw/zinc/64/13/24/1019641324.db2.gz GNAMZCAWXFCAIT-ONGXEEELSA-N -1 0 309.322 -0.114 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CC2OCCO2)[C@@H](C(=O)[O-])C1 ZINC001610174746 1019642142 /nfs/dbraw/zinc/64/21/42/1019642142.db2.gz ZKZASXFXGSRTDV-RKDXNWHRSA-N -1 0 301.295 -0.386 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)[C@H](C(=O)[O-])C1 ZINC001610175008 1019642312 /nfs/dbraw/zinc/64/23/12/1019642312.db2.gz ZZGUUKGOQBIJMO-BBBLOLIVSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)C[C@H]1CSCCN1Cc1cn(CC(=O)[O-])nn1 ZINC001610180011 1019642463 /nfs/dbraw/zinc/64/24/63/1019642463.db2.gz FBAXEIWPNUTEDG-JTQLQIEISA-N -1 0 314.367 -0.157 20 0 DBADRM COC(=O)CNC(=O)c1ccccc1CC(=O)NCC(=O)[O-] ZINC001610185483 1019644017 /nfs/dbraw/zinc/64/40/17/1019644017.db2.gz VSVFBXJYBMRDSQ-UHFFFAOYSA-N -1 0 308.290 -0.667 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)[C@H]3CCC(=O)N3)CC2)c1[O-] ZINC001505985150 1019644398 /nfs/dbraw/zinc/64/43/98/1019644398.db2.gz SKAVXGYWZFJJJO-MRVPVSSYSA-N -1 0 321.337 -0.919 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)CCC(F)(F)F ZINC001610183736 1019644279 /nfs/dbraw/zinc/64/42/79/1019644279.db2.gz CKALKFOQCRVGJH-UHFFFAOYSA-N -1 0 307.246 -0.172 20 0 DBADRM COC(=O)CN(C)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001610183109 1019644923 /nfs/dbraw/zinc/64/49/23/1019644923.db2.gz XWTYYXFEQCWQKU-UHFFFAOYSA-N -1 0 301.324 -0.187 20 0 DBADRM COC(=O)CCCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001610184007 1019645266 /nfs/dbraw/zinc/64/52/66/1019645266.db2.gz HJWFIHHXOIGFGB-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)CCCCCS(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001610184491 1019645287 /nfs/dbraw/zinc/64/52/87/1019645287.db2.gz RGCHRDVLUBMAJI-SNVBAGLBSA-N -1 0 323.367 -0.165 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1c[nH]nc1Cl ZINC001610183788 1019645303 /nfs/dbraw/zinc/64/53/03/1019645303.db2.gz DTCMZMMCYJQZPY-UHFFFAOYSA-N -1 0 311.703 -0.689 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H](C)N1CCSCC1)C(=O)[O-] ZINC001610183013 1019645836 /nfs/dbraw/zinc/64/58/36/1019645836.db2.gz LTOHGDOUUFSPIY-VHSXEESVSA-N -1 0 318.395 -0.054 20 0 DBADRM C[C@@H](CNC(=O)CCCc1cn[nH]n1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001575578669 1019646247 /nfs/dbraw/zinc/64/62/47/1019646247.db2.gz PVCNNIQXLDSLDA-VIFPVBQESA-N -1 0 322.373 -0.412 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001610190208 1019647837 /nfs/dbraw/zinc/64/78/37/1019647837.db2.gz JQCFBAZIXQGMTL-CIUDSAMLSA-N -1 0 316.310 -0.404 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCc2nncn2C1 ZINC001610191719 1019647892 /nfs/dbraw/zinc/64/78/92/1019647892.db2.gz VSADCIFQVXAFNI-DTWKUNHWSA-N -1 0 310.310 -0.637 20 0 DBADRM COC(=O)Nc1cccc(C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001610189505 1019648027 /nfs/dbraw/zinc/64/80/27/1019648027.db2.gz BHZRYDSAPSYGKR-UHFFFAOYSA-N -1 0 309.278 -0.205 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)[C@@]12CCC(=O)N1CCS2 ZINC001610191793 1019648078 /nfs/dbraw/zinc/64/80/78/1019648078.db2.gz XEHLTZAYKZEWRU-KRTXAFLBSA-N -1 0 317.319 -0.389 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001610192156 1019648594 /nfs/dbraw/zinc/64/85/94/1019648594.db2.gz CYCAOZPFMZRMMI-XHNCKOQMSA-N -1 0 309.340 -0.917 20 0 DBADRM CCC[C@@]1(C)C(=O)NCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001610195265 1019649993 /nfs/dbraw/zinc/64/99/93/1019649993.db2.gz JCNCTUNNIFNLHI-LBPRGKRZSA-N -1 0 306.384 -0.524 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N(C)CCO)c1 ZINC001610199022 1019650167 /nfs/dbraw/zinc/65/01/67/1019650167.db2.gz WMEXKETUAVAXPO-UHFFFAOYSA-N -1 0 317.319 -0.216 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)Cc1cc(C)on1 ZINC001610194104 1019651209 /nfs/dbraw/zinc/65/12/09/1019651209.db2.gz UNOJYQSYBLFOLH-SECBINFHSA-N -1 0 320.323 -0.191 20 0 DBADRM COC(=O)c1cn(CC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])nn1 ZINC001610218822 1019651266 /nfs/dbraw/zinc/65/12/66/1019651266.db2.gz WVBHJHWFEROEHD-SBMIAAHKSA-N -1 0 322.321 -0.224 20 0 DBADRM CCCN(C(=O)C(=O)NCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001610216316 1019651299 /nfs/dbraw/zinc/65/12/99/1019651299.db2.gz UEDALOBUYDMEBE-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM COC(=O)c1cc(NC(=O)NC[C@H](O)CO)ccc1C(=O)[O-] ZINC001610204298 1019651376 /nfs/dbraw/zinc/65/13/76/1019651376.db2.gz NMPJVULDUODIGX-QMMMGPOBSA-N -1 0 312.278 -0.354 20 0 DBADRM COC(=O)c1cc(NC(=O)Cn2cnnn2)cc(C(=O)[O-])c1 ZINC001610202215 1019651577 /nfs/dbraw/zinc/65/15/77/1019651577.db2.gz RFXWTVOKWPNZJB-UHFFFAOYSA-N -1 0 305.250 -0.203 20 0 DBADRM COC(=O)c1cn(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])nn1 ZINC001610218821 1019651613 /nfs/dbraw/zinc/65/16/13/1019651613.db2.gz WVBHJHWFEROEHD-HOTUBEGUSA-N -1 0 322.321 -0.224 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)C(F)(F)F ZINC001610228797 1019652710 /nfs/dbraw/zinc/65/27/10/1019652710.db2.gz SGSFRXBLETYYBX-RQJHMYQMSA-N -1 0 312.244 -0.387 20 0 DBADRM COC[C@@](C)(NC(=O)c1cc(S(N)(=O)=O)oc1C)C(=O)[O-] ZINC001610245851 1019655439 /nfs/dbraw/zinc/65/54/39/1019655439.db2.gz PXTUPTDRJNJXKU-LLVKDONJSA-N -1 0 320.323 -0.545 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)c2c(C)cnn2C)[C@H](C(=O)[O-])C1 ZINC001610240828 1019655562 /nfs/dbraw/zinc/65/55/62/1019655562.db2.gz YZQOPNVJWQYONJ-ZJUUUORDSA-N -1 0 317.367 -0.019 20 0 DBADRM COC[C@@](C)(NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC001610244235 1019655636 /nfs/dbraw/zinc/65/56/36/1019655636.db2.gz APGRHRHTZRPHPJ-BXKDBHETSA-N -1 0 319.379 -0.193 20 0 DBADRM COCC(=O)NCCC(=O)NC1(C(=O)[O-])CCSCC1 ZINC001610242293 1019655755 /nfs/dbraw/zinc/65/57/55/1019655755.db2.gz ZHBMBQUUWQAWRU-UHFFFAOYSA-N -1 0 304.368 -0.394 20 0 DBADRM COC[C@@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)C(N)=O ZINC001610246516 1019655879 /nfs/dbraw/zinc/65/58/79/1019655879.db2.gz OYDGKNUQQQUPON-LLVKDONJSA-N -1 0 319.317 -0.044 20 0 DBADRM COCC(=O)N[C@H](C(=O)N[C@H](CC(F)F)C(=O)[O-])C(C)C ZINC001610241539 1019656033 /nfs/dbraw/zinc/65/60/33/1019656033.db2.gz MIYHUXGNPAVHPI-XCBNKYQSSA-N -1 0 310.297 -0.002 20 0 DBADRM COC[C@@](C)(O)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001610244216 1019657115 /nfs/dbraw/zinc/65/71/15/1019657115.db2.gz ZPVOSPUTDHTPDQ-NSHDSACASA-N -1 0 304.324 -0.545 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CCOC[C@H]2CC(=O)[O-])C1=O ZINC001610251453 1019658536 /nfs/dbraw/zinc/65/85/36/1019658536.db2.gz ZFFRKHZPGVVJNH-RNCFNFMXSA-N -1 0 315.326 -0.924 20 0 DBADRM COCC1(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CCOCC1 ZINC001610248769 1019658641 /nfs/dbraw/zinc/65/86/41/1019658641.db2.gz UUFHHMQHELAIRC-UHFFFAOYSA-N -1 0 324.337 -0.197 20 0 DBADRM CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC001610251530 1019658651 /nfs/dbraw/zinc/65/86/51/1019658651.db2.gz HAPCHRWZIFHWBI-JTQLQIEISA-N -1 0 313.354 -0.658 20 0 DBADRM COC[C@@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC001610248477 1019659298 /nfs/dbraw/zinc/65/92/98/1019659298.db2.gz FZXUCBKCRXSCPH-MRVPVSSYSA-N -1 0 320.323 -0.641 20 0 DBADRM COC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC001610248928 1019659515 /nfs/dbraw/zinc/65/95/15/1019659515.db2.gz MMIFERBZQQRFPA-JTQLQIEISA-N -1 0 306.274 -0.258 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)C(N)=O ZINC001610250308 1019659527 /nfs/dbraw/zinc/65/95/27/1019659527.db2.gz HNNTZKHNVDPJHP-SECBINFHSA-N -1 0 320.298 -0.698 20 0 DBADRM COC[C@H](O)CCNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001610249482 1019659540 /nfs/dbraw/zinc/65/95/40/1019659540.db2.gz QUHSRWVXQYOTSB-LLVKDONJSA-N -1 0 317.363 -0.011 20 0 DBADRM CCCN1CCN(CCS(=O)(=O)CC(=O)[O-])C(C)(C)C1=O ZINC001610251655 1019660222 /nfs/dbraw/zinc/66/02/22/1019660222.db2.gz SZTIOYOBKRVLFB-UHFFFAOYSA-N -1 0 320.411 -0.181 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(CC(=O)NCCC(=O)[O-])CC1 ZINC001610372897 1019673033 /nfs/dbraw/zinc/67/30/33/1019673033.db2.gz PSVQCFLNTOTRHR-SNVBAGLBSA-N -1 0 306.384 -0.524 20 0 DBADRM COCC[C@@H](NC(=O)c1csc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001610254326 1019661726 /nfs/dbraw/zinc/66/17/26/1019661726.db2.gz XYVNJZHNJDNKNR-SSDOTTSWSA-N -1 0 322.364 -0.385 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001506006085 1019661717 /nfs/dbraw/zinc/66/17/17/1019661717.db2.gz OSSCELBSXZVUJL-SCZZXKLOSA-N -1 0 312.374 -0.639 20 0 DBADRM COCCS(=O)(=O)NC1(C(=O)[O-])CCC(C(=O)OC)CC1 ZINC001610264013 1019664139 /nfs/dbraw/zinc/66/41/39/1019664139.db2.gz PEEQYSLUTLCWOI-UHFFFAOYSA-N -1 0 323.367 -0.261 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001610261277 1019664217 /nfs/dbraw/zinc/66/42/17/1019664217.db2.gz UXJJKIPINRHBFK-CQSZACIVSA-N -1 0 316.354 -0.521 20 0 DBADRM COCc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)ncn1 ZINC001610268008 1019664389 /nfs/dbraw/zinc/66/43/89/1019664389.db2.gz STDGJOKFFNBGPS-SCZZXKLOSA-N -1 0 322.321 -0.117 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC001610264036 1019664401 /nfs/dbraw/zinc/66/44/01/1019664401.db2.gz QSSYDFBEHHDDDN-ZCFIWIBFSA-N -1 0 321.273 -0.431 20 0 DBADRM COCCNC(=O)C1(NC(=O)c2ccc(C(=O)[O-])n2C)CC1 ZINC001610261389 1019664444 /nfs/dbraw/zinc/66/44/44/1019664444.db2.gz AJRQICPSKUCLEJ-UHFFFAOYSA-N -1 0 309.322 -0.252 20 0 DBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)NCC1(C(=O)[O-])CC1 ZINC001610263482 1019664759 /nfs/dbraw/zinc/66/47/59/1019664759.db2.gz MMULRRRZWFPULY-GHMZBOCLSA-N -1 0 316.354 -0.029 20 0 DBADRM COCCc1cc(NC(=O)C(=O)NC2(C(=O)[O-])CC2)n(C)n1 ZINC001610267864 1019664900 /nfs/dbraw/zinc/66/49/00/1019664900.db2.gz TXNRVGBOSJTZMO-UHFFFAOYSA-N -1 0 310.310 -0.719 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC001610264302 1019665140 /nfs/dbraw/zinc/66/51/40/1019665140.db2.gz WZPHLDBSSVETQP-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3cncn3C)CC2)c1[O-] ZINC001506013784 1019665144 /nfs/dbraw/zinc/66/51/44/1019665144.db2.gz JHLSQTHCABJRPO-UHFFFAOYSA-N -1 0 318.337 -0.150 20 0 DBADRM COCCn1cc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])ccc1=O ZINC001610266130 1019665537 /nfs/dbraw/zinc/66/55/37/1019665537.db2.gz YKWIFOJZOZZSJS-DGCLKSJQSA-N -1 0 324.333 -0.455 20 0 DBADRM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN(C)CC(N)=O ZINC001610286254 1019666593 /nfs/dbraw/zinc/66/65/93/1019666593.db2.gz IWPSULYCBPRPBJ-JTQLQIEISA-N -1 0 312.322 -0.450 20 0 DBADRM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCNC(=O)C1 ZINC001610285861 1019666743 /nfs/dbraw/zinc/66/67/43/1019666743.db2.gz GYCGXKQWAJEGLD-LLVKDONJSA-N -1 0 324.333 -0.435 20 0 DBADRM COc1cc(C(=O)[O-])ccc1OCC(=O)N1CCNC(=O)C1 ZINC001610286770 1019666817 /nfs/dbraw/zinc/66/68/17/1019666817.db2.gz OWEDSRUMROIHOR-UHFFFAOYSA-N -1 0 308.290 -0.269 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NC1(CO)CC1 ZINC001610283824 1019667390 /nfs/dbraw/zinc/66/73/90/1019667390.db2.gz UASGNNWQNUIDQX-UHFFFAOYSA-N -1 0 308.290 -0.027 20 0 DBADRM CCN(C(=O)[C@H]1CC(C(=O)[O-])=NO1)[C@@H](C)CS(=O)(=O)CC ZINC001610271078 1019667707 /nfs/dbraw/zinc/66/77/07/1019667707.db2.gz VXIVTYYSMSMOQD-WCBMZHEXSA-N -1 0 320.367 -0.112 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)Cn1ncn(C)c1=O ZINC001610284683 1019667958 /nfs/dbraw/zinc/66/79/58/1019667958.db2.gz STFJYALUUVNHIC-UHFFFAOYSA-N -1 0 306.278 -0.073 20 0 DBADRM COCc1noc(CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001610274495 1019668026 /nfs/dbraw/zinc/66/80/26/1019668026.db2.gz HAZGQBZPPGNQFO-MRVPVSSYSA-N -1 0 308.298 -0.047 20 0 DBADRM CCN(C(=O)COC(=O)[C@@H](C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001610270575 1019668413 /nfs/dbraw/zinc/66/84/13/1019668413.db2.gz GQSMNPQEZVASTD-DTWKUNHWSA-N -1 0 321.351 -0.714 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001610274997 1019668545 /nfs/dbraw/zinc/66/85/45/1019668545.db2.gz AQTDPEIPLUTOLZ-UHFFFAOYSA-N -1 0 320.298 -0.178 20 0 DBADRM COc1cc(C(=O)[O-])cc(NC(=O)NOCC(N)=O)c1OC ZINC001610282671 1019668735 /nfs/dbraw/zinc/66/87/35/1019668735.db2.gz FHIAOVVAOJNTIW-UHFFFAOYSA-N -1 0 313.266 -0.060 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N[C@@H](C)CC(N)=O ZINC001610282516 1019668811 /nfs/dbraw/zinc/66/88/11/1019668811.db2.gz HUEMPWPAVYIAIK-ZETCQYMHSA-N -1 0 323.305 -0.288 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)C(=O)c1cnc(C(=O)[O-])cn1 ZINC001610351949 1019669946 /nfs/dbraw/zinc/66/99/46/1019669946.db2.gz HJPWZBNWHRWWRN-SNVBAGLBSA-N -1 0 311.294 -0.175 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])CC1 ZINC001610314800 1019670102 /nfs/dbraw/zinc/67/01/02/1019670102.db2.gz STSFHARGXOMRNT-SNVBAGLBSA-N -1 0 309.340 -0.773 20 0 DBADRM CCN1CCN(CCS(=O)(=O)CC(=O)[O-])C(C)(C)C1=O ZINC001610302466 1019670468 /nfs/dbraw/zinc/67/04/68/1019670468.db2.gz SEQSKQPIIXGXBR-UHFFFAOYSA-N -1 0 306.384 -0.572 20 0 DBADRM CCOC(=O)c1ncn(C2CCN(C(=O)C(=O)[O-])CC2)c1N ZINC001610341981 1019670760 /nfs/dbraw/zinc/67/07/60/1019670760.db2.gz LNILXRCEUOCHAO-UHFFFAOYSA-N -1 0 310.310 -0.110 20 0 DBADRM CCOC(CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])OCC ZINC001610341625 1019670920 /nfs/dbraw/zinc/67/09/20/1019670920.db2.gz CHOSFDCPQMYKIW-VIFPVBQESA-N -1 0 323.367 -0.514 20 0 DBADRM COc1ccccc1NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001610365898 1019671093 /nfs/dbraw/zinc/67/10/93/1019671093.db2.gz ZLEQLNKRBFXFSO-UWVGGRQHSA-N -1 0 322.317 -0.072 20 0 DBADRM COc1ccc([C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)[O-])cc1O ZINC001610319678 1019671175 /nfs/dbraw/zinc/67/11/75/1019671175.db2.gz FYLZIPHRTNQNOR-UFBFGSQYSA-N -1 0 308.290 -0.079 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001610339886 1019671239 /nfs/dbraw/zinc/67/12/39/1019671239.db2.gz CQRBHJWFKOPWBN-GXSJLCMTSA-N -1 0 323.305 -0.535 20 0 DBADRM CCOC(CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])OCC ZINC001610341624 1019671735 /nfs/dbraw/zinc/67/17/35/1019671735.db2.gz CHOSFDCPQMYKIW-SECBINFHSA-N -1 0 323.367 -0.514 20 0 DBADRM COc1ccc([C@H](NCc2nc(=O)n(C)[nH]2)C(=O)[O-])cc1O ZINC001610322114 1019672039 /nfs/dbraw/zinc/67/20/39/1019672039.db2.gz ARJIKZQIRFWTEO-NSHDSACASA-N -1 0 308.294 -0.262 20 0 DBADRM CS(=O)(=O)NCCNC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001610375369 1019673267 /nfs/dbraw/zinc/67/32/67/1019673267.db2.gz LWKSRYJXHHFCTC-UHFFFAOYSA-N -1 0 322.368 -0.559 20 0 DBADRM CS(=O)(=O)CCCC(=O)OCCn1cc(C(=O)[O-])nn1 ZINC001610373173 1019673635 /nfs/dbraw/zinc/67/36/35/1019673635.db2.gz PUJVXBCEQFVZBZ-UHFFFAOYSA-N -1 0 305.312 -0.656 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(CC(=O)NCCC(=O)[O-])CC1 ZINC001610372896 1019674634 /nfs/dbraw/zinc/67/46/34/1019674634.db2.gz PSVQCFLNTOTRHR-JTQLQIEISA-N -1 0 306.384 -0.524 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N2CC[C@](F)(C(=O)[O-])C2)CC1 ZINC001610375347 1019674983 /nfs/dbraw/zinc/67/49/83/1019674983.db2.gz INGQTOSDDGZLDQ-GFCCVEGCSA-N -1 0 322.358 -0.317 20 0 DBADRM CS[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001610382886 1019676251 /nfs/dbraw/zinc/67/62/51/1019676251.db2.gz YXKKUDHWEDNOAV-NXEZZACHSA-N -1 0 316.379 -0.348 20 0 DBADRM CSCC[C@H]1NC(=O)N(Cc2cn(CC(=O)[O-])nn2)C1=O ZINC001610383590 1019676414 /nfs/dbraw/zinc/67/64/14/1019676414.db2.gz GFZMZHWERHVFLA-MRVPVSSYSA-N -1 0 313.339 -0.464 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](O)C(C)(C)C2)C[C@H]1C(=O)[O-] ZINC001610390867 1019677091 /nfs/dbraw/zinc/67/70/91/1019677091.db2.gz XWFOGBCDDMCKHR-MXWKQRLJSA-N -1 0 312.366 -0.215 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001610378872 1019677744 /nfs/dbraw/zinc/67/77/44/1019677744.db2.gz JZJPPMKADAUIBC-FQEVSTJZSA-N -1 0 304.368 -0.806 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@H]2CCCCO2)cnn1CC(=O)[O-] ZINC001610419900 1019679107 /nfs/dbraw/zinc/67/91/07/1019679107.db2.gz FOFIOJJTIBRRAO-SNVBAGLBSA-N -1 0 324.337 -0.100 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cnn1C ZINC001610419373 1019679464 /nfs/dbraw/zinc/67/94/64/1019679464.db2.gz FUIYHQSBRBJPBV-NSHDSACASA-N -1 0 324.337 -0.649 20 0 DBADRM Cc1c([C@H](C)NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cnn1C ZINC001610411029 1019679524 /nfs/dbraw/zinc/67/95/24/1019679524.db2.gz KCPCYINKPXZMSZ-KWQFWETISA-N -1 0 324.337 -0.782 20 0 DBADRM C[C@H](NC(N)=O)C(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001610395086 1019679766 /nfs/dbraw/zinc/67/97/66/1019679766.db2.gz GALGUZIQVJWWBZ-WRWORJQWSA-N -1 0 307.306 -0.080 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@H](O)C[C@H]2C)cnn1CC(=O)[O-] ZINC001610421392 1019679991 /nfs/dbraw/zinc/67/99/91/1019679991.db2.gz QLYURFJTETUAFG-VXNVDRBHSA-N -1 0 310.310 -0.804 20 0 DBADRM Cc1c(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)nn2c1OCCC2 ZINC001610405238 1019680502 /nfs/dbraw/zinc/68/05/02/1019680502.db2.gz CZNCQJYWHYRIGU-NXEZZACHSA-N -1 0 309.322 -0.118 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC(=O)N(C3CC3)C2)c(C(=O)[O-])[nH]1 ZINC001610468316 1019682346 /nfs/dbraw/zinc/68/23/46/1019682346.db2.gz ROCKYUXCEWAILH-UHFFFAOYSA-N -1 0 320.305 -0.249 20 0 DBADRM Cc1cc(C(=O)[O-])nc(NCCNS(=O)(=O)NC(C)C)n1 ZINC001610444435 1019682617 /nfs/dbraw/zinc/68/26/17/1019682617.db2.gz JNZLRACLSHQKQK-UHFFFAOYSA-N -1 0 317.371 -0.272 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CCNC(=O)C1 ZINC001610439251 1019682830 /nfs/dbraw/zinc/68/28/30/1019682830.db2.gz RGVCZIOHTCYCCL-UHFFFAOYSA-N -1 0 305.290 -0.410 20 0 DBADRM Cc1cc(F)c(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)cc1C(=O)[O-] ZINC001610470387 1019683509 /nfs/dbraw/zinc/68/35/09/1019683509.db2.gz LCNZYVVRTZWVEC-AOOOYVTPSA-N -1 0 319.310 -0.442 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)c(C(=O)[O-])[nH]1 ZINC001610467621 1019683608 /nfs/dbraw/zinc/68/36/08/1019683608.db2.gz GMRDDCVRXKACPN-MRVPVSSYSA-N -1 0 308.294 -0.693 20 0 DBADRM Cc1cc(CNC(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)on1 ZINC001610460072 1019683630 /nfs/dbraw/zinc/68/36/30/1019683630.db2.gz TVQBEYMFCADIHH-UHFFFAOYSA-N -1 0 321.293 -0.173 20 0 DBADRM Cc1cc(NCCN2CCOCC2)n2nc(C(=O)[O-])nc2n1 ZINC001610474944 1019683681 /nfs/dbraw/zinc/68/36/81/1019683681.db2.gz CYAJJCQDNQWXEO-UHFFFAOYSA-N -1 0 306.326 -0.125 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N(C)C[C@@H](O)CN2CCOCC2)n1 ZINC001610442637 1019683782 /nfs/dbraw/zinc/68/37/82/1019683782.db2.gz YLTNBIGHDKMKQN-LLVKDONJSA-N -1 0 310.354 -0.387 20 0 DBADRM CCn1cc(CC(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001506036622 1019684442 /nfs/dbraw/zinc/68/44/42/1019684442.db2.gz OUWPGGZIESSYEF-SNVBAGLBSA-N -1 0 321.385 -0.094 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001610518357 1019684815 /nfs/dbraw/zinc/68/48/15/1019684815.db2.gz LYEXQCOAXAXNHA-JRPNMDOOSA-N -1 0 308.334 -0.113 20 0 DBADRM Cc1cccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)c1C(=O)[O-] ZINC001610525677 1019684895 /nfs/dbraw/zinc/68/48/95/1019684895.db2.gz GJAKWYGYTHHEIC-DTORHVGOSA-N -1 0 301.320 -0.581 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c(=O)[nH]1 ZINC001610503739 1019686304 /nfs/dbraw/zinc/68/63/04/1019686304.db2.gz CZBJXIAQBHGFQE-IUCAKERBSA-N -1 0 323.305 -0.672 20 0 DBADRM Cc1csc(=O)n1CCC(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC001610544302 1019686343 /nfs/dbraw/zinc/68/63/43/1019686343.db2.gz SDYGZAKQEPGMNN-MRVPVSSYSA-N -1 0 316.335 -0.259 20 0 DBADRM Cc1cccc(N(CC(=O)[O-])C(=O)CN2CCC(=O)NC2=O)n1 ZINC001610522851 1019686454 /nfs/dbraw/zinc/68/64/54/1019686454.db2.gz ROIGGWWDAJJRBX-UHFFFAOYSA-N -1 0 320.305 -0.250 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])o1 ZINC001610513054 1019686892 /nfs/dbraw/zinc/68/68/92/1019686892.db2.gz VPYWDZWPAPYLFG-QMMMGPOBSA-N -1 0 302.308 -0.448 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N(CCO)CCO)c(C(=O)[O-])c1 ZINC001610504201 1019687048 /nfs/dbraw/zinc/68/70/48/1019687048.db2.gz MGYGBMLWJOENTB-UHFFFAOYSA-N -1 0 310.306 -0.555 20 0 DBADRM Cc1ccnc2nc(C(=O)N3CCC[C@@H](O)[C@H]3C(=O)[O-])nn21 ZINC001610536346 1019687156 /nfs/dbraw/zinc/68/71/56/1019687156.db2.gz RXPQWGNQXXHIKC-BDAKNGLRSA-N -1 0 305.294 -0.517 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001610569187 1019688275 /nfs/dbraw/zinc/68/82/75/1019688275.db2.gz PVBURLCNQAEWIE-VHSXEESVSA-N -1 0 309.322 -0.486 20 0 DBADRM Cc1nn(C)c(Br)c1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001610568321 1019689210 /nfs/dbraw/zinc/68/92/10/1019689210.db2.gz FUBPDUJNIVUAAK-YFKPBYRVSA-N -1 0 306.116 -0.334 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC(C)(C(=O)[O-])C1 ZINC001610561900 1019689255 /nfs/dbraw/zinc/68/92/55/1019689255.db2.gz JSIMHOSITXWJQN-UHFFFAOYSA-N -1 0 318.337 -0.201 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cn1C ZINC001610560345 1019689271 /nfs/dbraw/zinc/68/92/71/1019689271.db2.gz GVGBROGSPOJHHT-WPRPVWTQSA-N -1 0 303.340 -0.673 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001610565236 1019689579 /nfs/dbraw/zinc/68/95/79/1019689579.db2.gz KYTFJDRJDKEDHL-GXSJLCMTSA-N -1 0 308.338 -0.371 20 0 DBADRM Cc1ncc(C(=O)NC2(CC(=O)[O-])CCS(=O)(=O)CC2)[nH]1 ZINC001610552311 1019689661 /nfs/dbraw/zinc/68/96/61/1019689661.db2.gz SGXVJBZZLAVWPA-UHFFFAOYSA-N -1 0 315.351 -0.130 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c1C ZINC001610568175 1019690124 /nfs/dbraw/zinc/69/01/24/1019690124.db2.gz DOKAESAJHKNAAF-LBPRGKRZSA-N -1 0 323.349 -0.305 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N(C)C[C@H](C)C(=O)[O-])nn2)no1 ZINC001610557378 1019690379 /nfs/dbraw/zinc/69/03/79/1019690379.db2.gz XZWQCPONHVJRIA-ZETCQYMHSA-N -1 0 308.298 -0.189 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001610569332 1019691755 /nfs/dbraw/zinc/69/17/55/1019691755.db2.gz AGKPCQDQLZMGFT-JTQLQIEISA-N -1 0 316.383 -0.635 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])n1C ZINC001610571425 1019691965 /nfs/dbraw/zinc/69/19/65/1019691965.db2.gz DCTIVFSFSNCESO-SECBINFHSA-N -1 0 309.326 -0.795 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)s1 ZINC001610571747 1019692322 /nfs/dbraw/zinc/69/23/22/1019692322.db2.gz PBDKSESOLLIYOV-HTRCEHHLSA-N -1 0 312.351 -0.358 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001610569425 1019693040 /nfs/dbraw/zinc/69/30/40/1019693040.db2.gz XKYJDMWHKRMBSV-SECBINFHSA-N -1 0 322.321 -0.979 20 0 DBADRM Cn1c(=O)n2c(c1C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)CCCC2 ZINC001610594104 1019694646 /nfs/dbraw/zinc/69/46/46/1019694646.db2.gz ATHPJXJSIVNUIP-NXEZZACHSA-N -1 0 323.349 -0.569 20 0 DBADRM Cn1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001610599820 1019694661 /nfs/dbraw/zinc/69/46/61/1019694661.db2.gz UUHSQVJHWRUNND-QXEWZRGKSA-N -1 0 321.333 -0.591 20 0 DBADRM Cn1cc([C@@H](CO)NCC(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC001610601165 1019694838 /nfs/dbraw/zinc/69/48/38/1019694838.db2.gz DHNHFCNNECOAOG-GFCCVEGCSA-N -1 0 310.354 -0.634 20 0 DBADRM Cn1cc(C(=O)NCC(=O)NCC(=O)[O-])c(-c2ccoc2)n1 ZINC001610600449 1019695458 /nfs/dbraw/zinc/69/54/58/1019695458.db2.gz QWJIDMLGWKBQMM-UHFFFAOYSA-N -1 0 306.278 -0.389 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NCCCn1cc(CO)nn1 ZINC001610595784 1019695742 /nfs/dbraw/zinc/69/57/42/1019695742.db2.gz JKLBICMBJHZUSO-UHFFFAOYSA-N -1 0 307.310 -0.373 20 0 DBADRM Cn1c(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c2n(c1=O)CCCC2 ZINC001610594123 1019695838 /nfs/dbraw/zinc/69/58/38/1019695838.db2.gz ATHPJXJSIVNUIP-ZJUUUORDSA-N -1 0 323.349 -0.569 20 0 DBADRM Cn1cc2c(n1)CCC[C@@H]2C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001610607053 1019697233 /nfs/dbraw/zinc/69/72/33/1019697233.db2.gz DSOIZFWXMLXVON-VIFPVBQESA-N -1 0 318.337 -0.054 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC2(CC(=O)[O-])CCC2)ccc1=O ZINC001610604587 1019697323 /nfs/dbraw/zinc/69/73/23/1019697323.db2.gz MQGWZXQRKPHCOE-UHFFFAOYSA-N -1 0 307.306 -0.163 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cn1 ZINC001610604195 1019697650 /nfs/dbraw/zinc/69/76/50/1019697650.db2.gz DYNGUSRIAIBREB-JTQLQIEISA-N -1 0 310.310 -0.957 20 0 DBADRM Cn1ccc([C@@H](NS(=O)(=O)C[C@@H]2CCCO2)C(=O)[O-])n1 ZINC001610609061 1019697769 /nfs/dbraw/zinc/69/77/69/1019697769.db2.gz MGYJJNAWSAMWLI-WCBMZHEXSA-N -1 0 303.340 -0.356 20 0 DBADRM Cn1cc2c(n1)CCC[C@H]2C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001610607041 1019697810 /nfs/dbraw/zinc/69/78/10/1019697810.db2.gz DDEVWLKKFRRNSP-SKDRFNHKSA-N -1 0 320.349 -0.358 20 0 DBADRM Cn1cc(CN2CCN(CN3C[C@@H](C(=O)[O-])CC3=O)CC2)cn1 ZINC001610602420 1019698166 /nfs/dbraw/zinc/69/81/66/1019698166.db2.gz ASZAEYZMPFEISR-ZDUSSCGKSA-N -1 0 321.381 -0.572 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)cc1C(=O)[O-] ZINC001610604897 1019698182 /nfs/dbraw/zinc/69/81/82/1019698182.db2.gz QRTBMRFQXPOHTF-QMMMGPOBSA-N -1 0 322.321 -0.614 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cn1 ZINC001610603277 1019698421 /nfs/dbraw/zinc/69/84/21/1019698421.db2.gz GHZQQVZZGQVZAX-YUMQZZPRSA-N -1 0 309.244 -0.155 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCC[C@@](C)(O)C1 ZINC001610613975 1019699681 /nfs/dbraw/zinc/69/96/81/1019699681.db2.gz ATPBUVBJGFCGNG-CYBMUJFWSA-N -1 0 310.310 -0.570 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)c2cnns2)c1[O-] ZINC001575731887 1019700010 /nfs/dbraw/zinc/70/00/10/1019700010.db2.gz LYMHEAUDIPFGEZ-UHFFFAOYSA-N -1 0 310.339 -0.175 20 0 DBADRM Cn1cncc1[C@@H]1CC(=O)N(CN2CCOC[C@@H]2CC(=O)[O-])C1 ZINC001610611626 1019700126 /nfs/dbraw/zinc/70/01/26/1019700126.db2.gz NETNWVQLKNLDFS-NEPJUHHUSA-N -1 0 322.365 -0.131 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CC2(C1)CCCOC2 ZINC001610615001 1019700420 /nfs/dbraw/zinc/70/04/20/1019700420.db2.gz YULVRNHFZQSADV-UHFFFAOYSA-N -1 0 322.321 -0.304 20 0 DBADRM Cn1ncc2c1nc(CN1CCC[C@@H](O)[C@@H]1C(=O)[O-])[nH]c2=O ZINC001610615101 1019700662 /nfs/dbraw/zinc/70/06/62/1019700662.db2.gz BMHPAJFGRFCGIJ-PSASIEDQSA-N -1 0 307.310 -0.521 20 0 DBADRM Cn1cnn(CCC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1=O ZINC001610612218 1019700679 /nfs/dbraw/zinc/70/06/79/1019700679.db2.gz ZCAMAPODUAHODU-ZCFIWIBFSA-N -1 0 310.232 -0.506 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCC[C@@](C)(CO)C1 ZINC001610614711 1019701013 /nfs/dbraw/zinc/70/10/13/1019701013.db2.gz QZENZBPSUBXRJD-CQSZACIVSA-N -1 0 324.337 -0.322 20 0 DBADRM Cn1cnn(CCC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1=O ZINC001610612217 1019701035 /nfs/dbraw/zinc/70/10/35/1019701035.db2.gz ZCAMAPODUAHODU-LURJTMIESA-N -1 0 310.232 -0.506 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCOC(F)(F)F ZINC001610613475 1019701121 /nfs/dbraw/zinc/70/11/21/1019701121.db2.gz AWVUYQUKKHHNAA-UHFFFAOYSA-N -1 0 324.215 -0.291 20 0 DBADRM Cn1cnnc1CNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001610611999 1019701425 /nfs/dbraw/zinc/70/14/25/1019701425.db2.gz MSHBIALWURYHLF-RKDXNWHRSA-N -1 0 302.356 -0.122 20 0 DBADRM Cn1cnn(CC(=O)Oc2ccc(CC(=O)[O-])cc2F)c1=O ZINC001610612128 1019701641 /nfs/dbraw/zinc/70/16/41/1019701641.db2.gz SZFDTNCQBWEVHC-UHFFFAOYSA-N -1 0 309.253 -0.046 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CNC(=O)c1ccncc1)C(=O)[O-] ZINC001610615696 1019702263 /nfs/dbraw/zinc/70/22/63/1019702263.db2.gz FFRIWCTYGNAGEK-LBPRGKRZSA-N -1 0 317.305 -0.513 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCOC[C@@H]1CC(=O)[O-])CC2 ZINC001610617264 1019702281 /nfs/dbraw/zinc/70/22/81/1019702281.db2.gz UNTNHVQPUMBYCQ-ZJUUUORDSA-N -1 0 308.338 -0.378 20 0 DBADRM Cn1nnc(CNC(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])n1 ZINC001610617235 1019702769 /nfs/dbraw/zinc/70/27/69/1019702769.db2.gz SHDODCCXKONAGA-UHFFFAOYSA-N -1 0 322.256 -0.698 20 0 DBADRM Cn1ncc2c1nc(CN1CCOC[C@@H]1CC(=O)[O-])[nH]c2=O ZINC001610615402 1019703063 /nfs/dbraw/zinc/70/30/63/1019703063.db2.gz KORQQFUVRONPFW-QMMMGPOBSA-N -1 0 307.310 -0.256 20 0 DBADRM Cn1nnnc1CCNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001610618568 1019703804 /nfs/dbraw/zinc/70/38/04/1019703804.db2.gz WTQJWOFDGSNREG-DTWKUNHWSA-N -1 0 317.371 -0.685 20 0 DBADRM NC(=O)C1CCN(C(=O)COC(=O)CCCCC(=O)[O-])CC1 ZINC001610635673 1019704844 /nfs/dbraw/zinc/70/48/44/1019704844.db2.gz KPSAHOUIUJBEFW-UHFFFAOYSA-N -1 0 314.338 -0.102 20 0 DBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001610636047 1019705239 /nfs/dbraw/zinc/70/52/39/1019705239.db2.gz TVLFQQLWZREOMC-JTQLQIEISA-N -1 0 323.305 -0.264 20 0 DBADRM NC(=O)C[C@H]1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC001610637203 1019707297 /nfs/dbraw/zinc/70/72/97/1019707297.db2.gz MJXJFPCZKMHDEC-SECBINFHSA-N -1 0 304.368 -0.232 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001610638258 1019708515 /nfs/dbraw/zinc/70/85/15/1019708515.db2.gz KPBZNZOSTWJUMY-VHSXEESVSA-N -1 0 313.285 -0.861 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])nn1 ZINC001610638368 1019710423 /nfs/dbraw/zinc/71/04/23/1019710423.db2.gz DELALWRRXJANNC-JTQLQIEISA-N -1 0 323.353 -0.083 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)co1 ZINC001610646082 1019711235 /nfs/dbraw/zinc/71/12/35/1019711235.db2.gz ZSFMRQCLNGNALU-NSHDSACASA-N -1 0 318.307 -0.709 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](CF)C(=O)[O-])c1 ZINC001610646854 1019711790 /nfs/dbraw/zinc/71/17/90/1019711790.db2.gz SXRCEZBEQIFAFE-MRVPVSSYSA-N -1 0 308.262 -0.374 20 0 DBADRM NS(=O)(=O)NC[C@@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001610645759 1019712525 /nfs/dbraw/zinc/71/25/25/1019712525.db2.gz HHAPXRUYUUGHBD-QMMMGPOBSA-N -1 0 315.355 -0.816 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccoc1CC(=O)[O-] ZINC001610645814 1019712706 /nfs/dbraw/zinc/71/27/06/1019712706.db2.gz KTJRXPXIOGVOAH-QMMMGPOBSA-N -1 0 316.335 -0.200 20 0 DBADRM NS(=O)(=O)c1ccc(N2CC[C@](F)(CO)C2)c(C(=O)[O-])c1 ZINC001610646831 1019713127 /nfs/dbraw/zinc/71/31/27/1019713127.db2.gz REHLDDOVJCOREA-GFCCVEGCSA-N -1 0 318.326 -0.057 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)CNC(=O)CC2CCCC2)C1 ZINC001610650691 1019713439 /nfs/dbraw/zinc/71/34/39/1019713439.db2.gz IEBPHOHANNIZFR-VXGBXAGGSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C(CN1CCOCC1)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001610663223 1019714017 /nfs/dbraw/zinc/71/40/17/1019714017.db2.gz JBVVHSVCSQUTAA-UHFFFAOYSA-N -1 0 314.338 -0.815 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CCN3C(=O)N=NC3C2)n1 ZINC001610663638 1019714314 /nfs/dbraw/zinc/71/43/14/1019714314.db2.gz DKDMTHNDJBZEPU-UHFFFAOYSA-N -1 0 318.293 -0.469 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC001610661463 1019714547 /nfs/dbraw/zinc/71/45/47/1019714547.db2.gz DSJIGKXWQVEZJI-QWRGUYRKSA-N -1 0 322.317 -0.084 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC001610661464 1019714652 /nfs/dbraw/zinc/71/46/52/1019714652.db2.gz DSJIGKXWQVEZJI-WDEREUQCSA-N -1 0 322.317 -0.084 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CC[C@H](CO)[C@@H](O)C2)n1 ZINC001610662934 1019714900 /nfs/dbraw/zinc/71/49/00/1019714900.db2.gz WCBIPQXVTFLZNE-KOLCDFICSA-N -1 0 309.322 -0.607 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCc1nc(-c2ccccn2)no1 ZINC001610660032 1019715225 /nfs/dbraw/zinc/71/52/25/1019715225.db2.gz QZRSPDDMJVUCSE-SECBINFHSA-N -1 0 306.278 -0.374 20 0 DBADRM O=C([O-])c1ccc(NC(=O)CN2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC001610662910 1019715343 /nfs/dbraw/zinc/71/53/43/1019715343.db2.gz UCSQRVGZFCVZMF-WCQYABFASA-N -1 0 308.334 -0.002 20 0 DBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)NCC1(C(=O)[O-])CC1 ZINC001610662841 1019715557 /nfs/dbraw/zinc/71/55/57/1019715557.db2.gz ZPOWEMQHRVPJMH-UHFFFAOYSA-N -1 0 309.322 -0.168 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CN1CCOCC1=O)c1ccc(F)cc1 ZINC001610663640 1019716372 /nfs/dbraw/zinc/71/63/72/1019716372.db2.gz ZNRADVNRLQRWHL-LBPRGKRZSA-N -1 0 324.308 -0.031 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)CCCS(=O)(=O)N1CCCC1 ZINC001610657451 1019716494 /nfs/dbraw/zinc/71/64/94/1019716494.db2.gz CTEKHHPJUPCNHO-VIFPVBQESA-N -1 0 310.347 -0.269 20 0 DBADRM O=C([O-])C1(NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC001610680697 1019717407 /nfs/dbraw/zinc/71/74/07/1019717407.db2.gz SIQPCUZRRKVTJU-VIFPVBQESA-N -1 0 311.319 -0.550 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2cn(Cc3ccccn3)nn2)CCOC1 ZINC001610683557 1019718133 /nfs/dbraw/zinc/71/81/33/1019718133.db2.gz VJRMFGLFNMZYGS-CQSZACIVSA-N -1 0 317.305 -0.305 20 0 DBADRM O=C([O-])c1cccc(COC(=O)Cn2ccc(=O)[nH]c2=O)n1 ZINC001610678154 1019718385 /nfs/dbraw/zinc/71/83/85/1019718385.db2.gz HCCURUBUWKNWBY-UHFFFAOYSA-N -1 0 305.246 -0.215 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)NC[C@H]3COCCO3)C[C@H]1COCC2 ZINC001610691426 1019719999 /nfs/dbraw/zinc/71/99/99/1019719999.db2.gz YHULNAUTDIVPMR-COPLHBTASA-N -1 0 314.338 -0.466 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@@H]2CC=CCC2)C1 ZINC001610693015 1019720208 /nfs/dbraw/zinc/72/02/08/1019720208.db2.gz YOKMMCLWWYXRBB-WOPDTQHZSA-N -1 0 310.350 -0.247 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(C(=O)C(=O)NC[C@H]1CCCO1)CC2 ZINC001610692184 1019720757 /nfs/dbraw/zinc/72/07/57/1019720757.db2.gz USPMQMTXERSWNP-MNOVXSKESA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@@H]2CCSC2)C1 ZINC001610689780 1019721643 /nfs/dbraw/zinc/72/16/43/1019721643.db2.gz APRJHHNINCWJOD-GUBZILKMSA-N -1 0 316.379 -0.850 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)CNC(=O)c1ccccc1 ZINC001610685472 1019721669 /nfs/dbraw/zinc/72/16/69/1019721669.db2.gz FAQFQZFOKXJJDT-DGCLKSJQSA-N -1 0 306.318 -0.147 20 0 DBADRM O=C([O-])[C@H](CF)NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC001610715592 1019723591 /nfs/dbraw/zinc/72/35/91/1019723591.db2.gz DWZYBLKXZHJPKY-QMMMGPOBSA-N -1 0 312.319 -0.918 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)NCc2cccnn2)CC1 ZINC001610698396 1019724291 /nfs/dbraw/zinc/72/42/91/1019724291.db2.gz SVDDQMQDEQZXRS-UHFFFAOYSA-N -1 0 306.322 -0.148 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001610734803 1019725139 /nfs/dbraw/zinc/72/51/39/1019725139.db2.gz LGJPNFJRVQOAQU-NGZCFLSTSA-N -1 0 322.321 -0.943 20 0 DBADRM O=C([O-])C12CC(C(=O)OCCN3CCCS3(=O)=O)(C1)C2 ZINC001610730374 1019725438 /nfs/dbraw/zinc/72/54/38/1019725438.db2.gz OBOIOJKFTIWMOD-UHFFFAOYSA-N -1 0 303.336 -0.180 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCC2(CO)CCOCC2)CCC1 ZINC001610728134 1019725489 /nfs/dbraw/zinc/72/54/89/1019725489.db2.gz UYOSJJIEGUZOTG-UHFFFAOYSA-N -1 0 321.395 -0.050 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@H](CO)[C@H]2CCOC2)CCC1 ZINC001610727312 1019725940 /nfs/dbraw/zinc/72/59/40/1019725940.db2.gz FQFSRDUBUKAXNF-WDEREUQCSA-N -1 0 321.395 -0.194 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001610732015 1019726441 /nfs/dbraw/zinc/72/64/41/1019726441.db2.gz TYJNZLHNDKGCSA-QRTLGDNMSA-N -1 0 322.321 -0.801 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1S(=O)(=O)c1cnc2n1CCC2 ZINC001610736362 1019726789 /nfs/dbraw/zinc/72/67/89/1019726789.db2.gz ORLJJGUEQVKOBS-LDYMZIIASA-N -1 0 315.351 -0.572 20 0 DBADRM O=C([O-])CC1(CNC(=O)[C@@H]2CCS(=O)(=O)C2)CCOCC1 ZINC001610753084 1019727156 /nfs/dbraw/zinc/72/71/56/1019727156.db2.gz BLHRKTMQJADHHS-SNVBAGLBSA-N -1 0 319.379 -0.191 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCc3ncsc3C2)C1 ZINC001610742051 1019727170 /nfs/dbraw/zinc/72/71/70/1019727170.db2.gz OBJFZVOHVYDKSD-MRVPVSSYSA-N -1 0 309.347 -0.039 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)NN1CCCNC1=O ZINC001610743661 1019728460 /nfs/dbraw/zinc/72/84/60/1019728460.db2.gz KIJSBFOROKZGEQ-IUCAKERBSA-N -1 0 305.356 -0.121 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCc2ncncc2C1 ZINC001610759818 1019730470 /nfs/dbraw/zinc/73/04/70/1019730470.db2.gz KGFJXMFSYFBJGU-SKDRFNHKSA-N -1 0 318.333 -0.617 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)CC[C@H]2NC(=O)NC2=O)CCCOC1 ZINC001610755653 1019730493 /nfs/dbraw/zinc/73/04/93/1019730493.db2.gz FZTBUQZFHDEFDK-OQPBUACISA-N -1 0 313.310 -0.885 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCc2cccnc2)CCO1 ZINC001610763192 1019731054 /nfs/dbraw/zinc/73/10/54/1019731054.db2.gz MXKZPCXUJZCAPL-LLVKDONJSA-N -1 0 307.306 -0.600 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cn2cccnc2n1 ZINC001610761738 1019731101 /nfs/dbraw/zinc/73/11/01/1019731101.db2.gz JTVUFIZINLSFKB-VIFPVBQESA-N -1 0 303.278 -0.855 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C[C@@H]1CCCS(=O)(=O)C1 ZINC001610761817 1019731919 /nfs/dbraw/zinc/73/19/19/1019731919.db2.gz MFQLQPCVXBQLHU-UWVGGRQHSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)[C@H](O)C2CCOCC2)CCCOC1 ZINC001610755982 1019732339 /nfs/dbraw/zinc/73/23/39/1019732339.db2.gz CXTWNDCQMYSJCL-TZMCWYRMSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])CCc1ccc(NC(=O)C(=O)NC[C@H](O)CO)cc1 ZINC001610777472 1019733263 /nfs/dbraw/zinc/73/32/63/1019733263.db2.gz OEGWFOLCXRIWPG-NSHDSACASA-N -1 0 310.306 -0.888 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc(-n2cncn2)cc1 ZINC001610779686 1019734706 /nfs/dbraw/zinc/73/47/06/1019734706.db2.gz KZVNBSRGYMLWKS-UHFFFAOYSA-N -1 0 303.278 -0.203 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCOC2)CCO1 ZINC001610763398 1019734883 /nfs/dbraw/zinc/73/48/83/1019734883.db2.gz QLRNEXWWBYRVOZ-WDEREUQCSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001610765134 1019734968 /nfs/dbraw/zinc/73/49/68/1019734968.db2.gz IHAIOBIUQINGBS-BQBZGAKWSA-N -1 0 301.324 -0.997 20 0 DBADRM O=C([O-])CCN(Cc1ccncc1)C(=O)CN1CCOCC1=O ZINC001610773353 1019735045 /nfs/dbraw/zinc/73/50/45/1019735045.db2.gz SDTWRBOUBKAXAF-UHFFFAOYSA-N -1 0 321.333 -0.256 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cn(C2CCC2)nn1 ZINC001610782778 1019735472 /nfs/dbraw/zinc/73/54/72/1019735472.db2.gz LQMUVAXZHCAROA-NSHDSACASA-N -1 0 321.337 -0.192 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)COc1ccccc1O ZINC001610782691 1019735553 /nfs/dbraw/zinc/73/55/53/1019735553.db2.gz JHSRVOKDGQVGEJ-JTQLQIEISA-N -1 0 322.317 -0.037 20 0 DBADRM O=C([O-])CNC(=O)CN1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC001610782370 1019735641 /nfs/dbraw/zinc/73/56/41/1019735641.db2.gz YXDZNRHAMPMMCL-LBPRGKRZSA-N -1 0 311.382 -0.042 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC001610779876 1019736286 /nfs/dbraw/zinc/73/62/86/1019736286.db2.gz GSFGJLBAEIWGSW-YUTCNCBUSA-N -1 0 312.366 -0.343 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC001610782284 1019736739 /nfs/dbraw/zinc/73/67/39/1019736739.db2.gz PRCLVDXQOBWTRN-UHFFFAOYSA-N -1 0 321.268 -0.663 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)c1ccoc1 ZINC001610779978 1019736865 /nfs/dbraw/zinc/73/68/65/1019736865.db2.gz DAIQICMJYGPVIM-UHFFFAOYSA-N -1 0 318.351 -0.313 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1 ZINC001610791504 1019737457 /nfs/dbraw/zinc/73/74/57/1019737457.db2.gz MRSYBANYABPNCI-UHFFFAOYSA-N -1 0 305.290 -0.789 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)N[C@H]3CCCS(=O)(=O)C3)C[C@@H]21 ZINC001610803189 1019739091 /nfs/dbraw/zinc/73/90/91/1019739091.db2.gz PKYNGLBQYPYICV-AXTSPUMRSA-N -1 0 302.352 -0.464 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)cn1 ZINC001610801457 1019739110 /nfs/dbraw/zinc/73/91/10/1019739110.db2.gz PFKUUZVWECYDPG-DTWKUNHWSA-N -1 0 301.324 -0.817 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCC[C@@H](Cn3ccnn3)C2)C(=O)O1 ZINC001610802394 1019739205 /nfs/dbraw/zinc/73/92/05/1019739205.db2.gz HJZUBZPLLGJFPP-MNOVXSKESA-N -1 0 309.326 -0.147 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)NC[C@H]3CCS(=O)(=O)C3)C[C@@H]21 ZINC001610803410 1019739770 /nfs/dbraw/zinc/73/97/70/1019739770.db2.gz OKPXLRVLHAWTBV-IMSYWVGJSA-N -1 0 302.352 -0.607 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)c2cnc3n(c2=O)CCS3)n[nH]1 ZINC001610798652 1019740014 /nfs/dbraw/zinc/74/00/14/1019740014.db2.gz MQFNKNCFYONMFU-UHFFFAOYSA-N -1 0 322.306 -0.654 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCO[C@H](C3CC3)C2)cn1 ZINC001610801388 1019740213 /nfs/dbraw/zinc/74/02/13/1019740213.db2.gz NZXJIRXJAZKKGW-NSHDSACASA-N -1 0 315.351 -0.233 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)C[C@@H]21 ZINC001610803333 1019740561 /nfs/dbraw/zinc/74/05/61/1019740561.db2.gz VGQMSNXLADFTPM-JZYVYDRUSA-N -1 0 321.333 -0.360 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)N[C@@H]3CCCS(=O)(=O)C3)C[C@@H]21 ZINC001610803196 1019740681 /nfs/dbraw/zinc/74/06/81/1019740681.db2.gz PKYNGLBQYPYICV-IMSYWVGJSA-N -1 0 302.352 -0.464 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)CCn3ccnn3)C2)nn1 ZINC001610856461 1019741323 /nfs/dbraw/zinc/74/13/23/1019741323.db2.gz SNYRKNSYNSPQCV-SNVBAGLBSA-N -1 0 319.325 -0.178 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(S(=O)(=O)CC3CC3)C2)nn1 ZINC001610858016 1019741919 /nfs/dbraw/zinc/74/19/19/1019741919.db2.gz MZGBNMMCOVRYDQ-VIFPVBQESA-N -1 0 300.340 -0.037 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@H]2CCc3ncncc3C2)nn1 ZINC001610859052 1019743641 /nfs/dbraw/zinc/74/36/41/1019743641.db2.gz IXALTQUGTAATBY-VIFPVBQESA-N -1 0 316.321 -0.312 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NC[C@]1(O)CCSC1 ZINC001610872730 1019744462 /nfs/dbraw/zinc/74/44/62/1019744462.db2.gz JPJHRQCNNAVUBR-SECBINFHSA-N -1 0 324.405 -0.012 20 0 DBADRM O=C([O-])[C@H](CF)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001610886557 1019745004 /nfs/dbraw/zinc/74/50/04/1019745004.db2.gz DIJASMMVABDWOD-QMMMGPOBSA-N -1 0 318.282 -0.282 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC001610883235 1019747081 /nfs/dbraw/zinc/74/70/81/1019747081.db2.gz AOKXQSLKMBQZRA-MNOVXSKESA-N -1 0 320.301 -0.933 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001610871843 1019747926 /nfs/dbraw/zinc/74/79/26/1019747926.db2.gz CQFBMQOSSRHENW-KNVOCYPGSA-N -1 0 320.348 -0.370 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1cc(C(N)=O)ccc1F ZINC001610920754 1019749910 /nfs/dbraw/zinc/74/99/10/1019749910.db2.gz XPHAJLSDIXEQMF-UHFFFAOYSA-N -1 0 311.269 -0.204 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC001610920498 1019749982 /nfs/dbraw/zinc/74/99/82/1019749982.db2.gz KFQCHJLHTKEELM-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM CN(C)S(=O)(=O)N(C)CCc1noc(CCC(=O)[O-])n1 ZINC001610904696 1019750511 /nfs/dbraw/zinc/75/05/11/1019750511.db2.gz WKCGPOULAFHBBT-UHFFFAOYSA-N -1 0 306.344 -0.633 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC001610924120 1019750933 /nfs/dbraw/zinc/75/09/33/1019750933.db2.gz HQLKVLIDYIEPLY-UHFFFAOYSA-N -1 0 312.326 -0.377 20 0 DBADRM O=Cc1ccccc1S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001610887273 1019751052 /nfs/dbraw/zinc/75/10/52/1019751052.db2.gz AZAGRWPNIGQLMD-QWRGUYRKSA-N -1 0 313.331 -0.045 20 0 DBADRM COC(=O)C1CCN(C(=O)COC(=O)[C@@H](C)C(=O)[O-])CC1 ZINC001610968648 1019752603 /nfs/dbraw/zinc/75/26/03/1019752603.db2.gz LCHGVTYVZVXCIW-QMMMGPOBSA-N -1 0 301.295 -0.338 20 0 DBADRM CNS(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C(=O)[O-])nc1 ZINC001610960415 1019752688 /nfs/dbraw/zinc/75/26/88/1019752688.db2.gz STGAJTKGHVWUNA-LURJTMIESA-N -1 0 302.312 -0.416 20 0 DBADRM COC(=O)c1ccoc1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001610981583 1019753054 /nfs/dbraw/zinc/75/30/54/1019753054.db2.gz UKDYNZJWIJMNGX-VIFPVBQESA-N -1 0 317.319 -0.250 20 0 DBADRM CN(CCS(=O)(=O)CC(=O)[O-])Cc1nnc2n1CCC2 ZINC001610939050 1019753851 /nfs/dbraw/zinc/75/38/51/1019753851.db2.gz MLMHRNPKTQPUJP-UHFFFAOYSA-N -1 0 302.356 -0.845 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001610968572 1019754041 /nfs/dbraw/zinc/75/40/41/1019754041.db2.gz AKJVCJDKQWOHGX-QMMMGPOBSA-N -1 0 308.356 -0.336 20 0 DBADRM CN(C[C@H](O)CO)C(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001610939001 1019754325 /nfs/dbraw/zinc/75/43/25/1019754325.db2.gz CMSQFSYRMYHVIC-LBPRGKRZSA-N -1 0 324.333 -0.546 20 0 DBADRM COc1cc(-c2noc(CN3CCO[C@H](C(=O)[O-])C3)n2)ncn1 ZINC001611024072 1019754762 /nfs/dbraw/zinc/75/47/62/1019754762.db2.gz SVUDDVCYCSXPBX-VIFPVBQESA-N -1 0 321.293 -0.179 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc(-n2ccnn2)cc1 ZINC001611028319 1019754782 /nfs/dbraw/zinc/75/47/82/1019754782.db2.gz SSZZRIAWPGIJAY-UHFFFAOYSA-N -1 0 301.266 -0.091 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001611074465 1019754981 /nfs/dbraw/zinc/75/49/81/1019754981.db2.gz BYNUDZAUGFRKTJ-ZETCQYMHSA-N -1 0 308.294 -0.112 20 0 DBADRM COCCCN(CCO)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001611000506 1019755359 /nfs/dbraw/zinc/75/53/59/1019755359.db2.gz SYAQIFAXOYTZJA-CQSZACIVSA-N -1 0 316.354 -0.833 20 0 DBADRM COc1cncnc1NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001611074430 1019755883 /nfs/dbraw/zinc/75/58/83/1019755883.db2.gz AYQIMYNANIRYOP-ZDUSSCGKSA-N -1 0 308.294 -0.253 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)[C@H]1CC(C(=O)[O-])=NO1)C2 ZINC001611015651 1019756199 /nfs/dbraw/zinc/75/61/99/1019756199.db2.gz CPEVKSCRDDIZBM-LLVKDONJSA-N -1 0 323.309 -0.961 20 0 DBADRM COc1cc(F)cc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001611033565 1019756331 /nfs/dbraw/zinc/75/63/31/1019756331.db2.gz YAZMBLSEQKLSBO-CYBMUJFWSA-N -1 0 314.269 -0.275 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC001611074463 1019756366 /nfs/dbraw/zinc/75/63/66/1019756366.db2.gz BYNUDZAUGFRKTJ-SSDOTTSWSA-N -1 0 308.294 -0.112 20 0 DBADRM COCCc1cc(NC(=O)C(=O)N(C)CCC(=O)[O-])n(C)n1 ZINC001611015645 1019756421 /nfs/dbraw/zinc/75/64/21/1019756421.db2.gz CASZWKVPQDAHED-UHFFFAOYSA-N -1 0 312.326 -0.519 20 0 DBADRM COc1cncnc1NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001611074428 1019756634 /nfs/dbraw/zinc/75/66/34/1019756634.db2.gz AYQIMYNANIRYOP-CYBMUJFWSA-N -1 0 308.294 -0.253 20 0 DBADRM Cc1ccc(CN(C)C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)nc1 ZINC001611177398 1019757436 /nfs/dbraw/zinc/75/74/36/1019757436.db2.gz UOFACUKBGHQUKF-GFCCVEGCSA-N -1 0 321.333 -0.340 20 0 DBADRM Cc1c(CN(C)C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cnn1C ZINC001611122585 1019757875 /nfs/dbraw/zinc/75/78/75/1019757875.db2.gz ZWXSWJWNWAMMKW-JTQLQIEISA-N -1 0 308.338 -0.380 20 0 DBADRM Cc1cc2c(cc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])OCO2 ZINC001611162619 1019758324 /nfs/dbraw/zinc/75/83/24/1019758324.db2.gz WCZFBXGSVYCRDK-AWEZNQCLSA-N -1 0 324.289 -0.386 20 0 DBADRM Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001611282839 1019760290 /nfs/dbraw/zinc/76/02/90/1019760290.db2.gz KXOPCQMDFLVRQR-NXEZZACHSA-N -1 0 321.337 -0.588 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)C(=O)NC[C@H]2COCCO2)c1 ZINC001611338604 1019760708 /nfs/dbraw/zinc/76/07/08/1019760708.db2.gz ZXGVFFXSRYAAFU-LBPRGKRZSA-N -1 0 322.317 -0.467 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@H]1CCCNC1=O ZINC001611334114 1019761027 /nfs/dbraw/zinc/76/10/27/1019761027.db2.gz LDQCRKHAPVXZEG-SECBINFHSA-N -1 0 319.317 -0.034 20 0 DBADRM Cn1ccnc1C[C@H]1CCCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC001611283055 1019761612 /nfs/dbraw/zinc/76/16/12/1019761612.db2.gz YANASHMLWFBOKE-LLVKDONJSA-N -1 0 322.365 -0.208 20 0 DBADRM O=C(CN1CCS(=O)(=O)C[C@H]1C(=O)[O-])NC1CCCC1 ZINC001611322651 1019762477 /nfs/dbraw/zinc/76/24/77/1019762477.db2.gz TZQYMOJPTXMJML-JTQLQIEISA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCC3(CC2)OCCO3)C1 ZINC001611369683 1019763210 /nfs/dbraw/zinc/76/32/10/1019763210.db2.gz MRXWZQYBUKWECZ-SNVBAGLBSA-N -1 0 312.322 -0.715 20 0 DBADRM O=C([O-])CCC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC001611416520 1019764188 /nfs/dbraw/zinc/76/41/88/1019764188.db2.gz KNTXIPXMJOYWJZ-UHFFFAOYSA-N -1 0 304.368 -0.076 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCC[C@@]23CCOC3=O)CC1 ZINC001611369698 1019764710 /nfs/dbraw/zinc/76/47/10/1019764710.db2.gz SJEVZZYJSKUPCJ-HNNXBMFYSA-N -1 0 324.333 -0.382 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001611362413 1019764828 /nfs/dbraw/zinc/76/48/28/1019764828.db2.gz VDZGUQSEKQXLNT-IONNQARKSA-N -1 0 304.324 -0.843 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CCO)CCO1 ZINC001611387115 1019765159 /nfs/dbraw/zinc/76/51/59/1019765159.db2.gz NXFJTLUZHADXQX-MNOVXSKESA-N -1 0 314.338 -0.938 20 0 DBADRM O=C([O-])CNC(=O)CN1CCOC[C@H]1CC(=O)c1ccco1 ZINC001611471117 1019765642 /nfs/dbraw/zinc/76/56/42/1019765642.db2.gz UHPPVTSLMRWEJT-SNVBAGLBSA-N -1 0 310.306 -0.246 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCc1ccnc(-n2cccn2)c1 ZINC001611443541 1019765767 /nfs/dbraw/zinc/76/57/67/1019765767.db2.gz XAOICBVIRXSLOB-UHFFFAOYSA-N -1 0 317.305 -0.526 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCOC[C@@H]1CC(F)F ZINC001611488577 1019765831 /nfs/dbraw/zinc/76/58/31/1019765831.db2.gz PSTUPFVCGZOXGF-QMMMGPOBSA-N -1 0 301.311 -0.158 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCOC[C@H]1[C@@H]1CCCC1=O ZINC001611488725 1019766040 /nfs/dbraw/zinc/76/60/40/1019766040.db2.gz UOQGKALGGLNFBL-QWRGUYRKSA-N -1 0 319.379 -0.444 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC001611443233 1019766332 /nfs/dbraw/zinc/76/63/32/1019766332.db2.gz IREZOZFJDBKTNG-NOZJJQNGSA-N -1 0 316.379 -0.252 20 0 DBADRM O=C([O-])CNC(=O)C[S@@](=O)Cc1ncnn1-c1ccccc1 ZINC001611475254 1019767319 /nfs/dbraw/zinc/76/73/19/1019767319.db2.gz HLRROVAGLAAVJU-QFIPXVFZSA-N -1 0 322.346 -0.283 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCCc1cn2ccccc2n1 ZINC001611443203 1019767343 /nfs/dbraw/zinc/76/73/43/1019767343.db2.gz GYSVYJSWNDFCPL-UHFFFAOYSA-N -1 0 304.306 -0.416 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC001611443183 1019767956 /nfs/dbraw/zinc/76/79/56/1019767956.db2.gz DCEQGCHRIAHKTM-UHFFFAOYSA-N -1 0 320.349 -0.111 20 0 DBADRM CCOc1ccc(S(=O)(=O)NCC(=O)[N-]OCCO)cc1 ZINC001611592324 1019768445 /nfs/dbraw/zinc/76/84/45/1019768445.db2.gz KCWCROAAXVBCEI-UHFFFAOYSA-N -1 0 318.351 -0.596 20 0 DBADRM O=C([O-])c1cccc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c1 ZINC001611545051 1019768582 /nfs/dbraw/zinc/76/85/82/1019768582.db2.gz IZHMBEREMLCERZ-ZDUSSCGKSA-N -1 0 313.331 -0.336 20 0 DBADRM O=C(CSc1cccc[n+]1[O-])N1CCO[C@H](c2nnn[n-]2)C1 ZINC001616141620 1019776746 /nfs/dbraw/zinc/77/67/46/1019776746.db2.gz BJIRFVPAFPQDFN-VIFPVBQESA-N -1 0 322.350 -0.475 20 0 DBADRM Cn1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cc1C=O ZINC001617703315 1019786270 /nfs/dbraw/zinc/78/62/70/1019786270.db2.gz PQWBZGVEVCTDTP-UHFFFAOYSA-N -1 0 304.310 -0.526 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001618154231 1019792280 /nfs/dbraw/zinc/79/22/80/1019792280.db2.gz WDYCBHPQNGDCMW-GFCCVEGCSA-N -1 0 320.349 -0.272 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001618154233 1019793508 /nfs/dbraw/zinc/79/35/08/1019793508.db2.gz WDYCBHPQNGDCMW-LBPRGKRZSA-N -1 0 320.349 -0.272 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)[N-]N2C(=O)N[C@](C)(CC)C2=O)nn1 ZINC001618561411 1019796827 /nfs/dbraw/zinc/79/68/27/1019796827.db2.gz ZFXQFSSOWCIFIJ-AMIZOPFISA-N -1 0 324.341 -0.586 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](C)CN1CCO ZINC001576290459 1019834674 /nfs/dbraw/zinc/83/46/74/1019834674.db2.gz JPZBVALAXKWZMD-NXEZZACHSA-N -1 0 319.369 -0.278 20 0 DBADRM CCC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576407584 1019846987 /nfs/dbraw/zinc/84/69/87/1019846987.db2.gz YUVLYJJXVVYFTB-RKDXNWHRSA-N -1 0 302.342 -0.253 20 0 DBADRM C/C=C(/C)C(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001576398547 1019847604 /nfs/dbraw/zinc/84/76/04/1019847604.db2.gz KJLQROFTJUCGKX-WTKPLQERSA-N -1 0 302.342 -0.085 20 0 DBADRM CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576425914 1019848946 /nfs/dbraw/zinc/84/89/46/1019848946.db2.gz UJSJXUDRGSBNGB-GDGBQDQQSA-N -1 0 315.337 -0.209 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001576581657 1019870368 /nfs/dbraw/zinc/87/03/68/1019870368.db2.gz OHEPTGCLQWXXEG-RKDXNWHRSA-N -1 0 320.357 -0.986 20 0 DBADRM CC[C@H](C)[C@H](C)NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576601643 1019872752 /nfs/dbraw/zinc/87/27/52/1019872752.db2.gz VARFZUSBLGPPDH-YUMQZZPRSA-N -1 0 321.341 -0.320 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C/C=C/Cl)C1 ZINC001506672807 1019887525 /nfs/dbraw/zinc/88/75/25/1019887525.db2.gz VVHVUBVEHMWESE-UFUPEUMYSA-N -1 0 315.761 -0.122 20 0 DBADRM CN(CCCNC(=O)[C@H]1CC1(C)C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001576960005 1019965228 /nfs/dbraw/zinc/96/52/28/1019965228.db2.gz ZVYARTFQXOLVMI-MRVPVSSYSA-N -1 0 323.353 -0.093 20 0 DBADRM CC[C@@H](NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C)C(=O)NC ZINC001576977130 1019970918 /nfs/dbraw/zinc/97/09/18/1019970918.db2.gz ZFPGFHHJUABCAF-MRVPVSSYSA-N -1 0 319.325 -0.470 20 0 DBADRM CC[C@@H](OC)C(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001577030479 1019990788 /nfs/dbraw/zinc/99/07/88/1019990788.db2.gz FEOCRQQHIZEIRE-SECBINFHSA-N -1 0 320.357 -0.366 20 0 DBADRM CCCC(=O)N[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001577221385 1020037370 /nfs/dbraw/zinc/03/73/70/1020037370.db2.gz LZMOSGGMLHXLNN-RKDXNWHRSA-N -1 0 318.341 -0.878 20 0 DBADRM CCC[C@@H](CCO)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001577322804 1020052294 /nfs/dbraw/zinc/05/22/94/1020052294.db2.gz TXAPBXYIZZRMKW-QMMMGPOBSA-N -1 0 323.357 -0.123 20 0 DBADRM CCCCC(=O)NC[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001577416276 1020062577 /nfs/dbraw/zinc/06/25/77/1020062577.db2.gz FEZBSRAAXIUGIA-VIFPVBQESA-N -1 0 320.357 -0.842 20 0 DBADRM CCCN(CCNC(=O)COC)c1cnc(-c2nn[nH]n2)cn1 ZINC001577608747 1020085826 /nfs/dbraw/zinc/08/58/26/1020085826.db2.gz CMQNROLBNOTYQS-UHFFFAOYSA-N -1 0 320.357 -0.364 20 0 DBADRM CCCN(CCNC(=O)COC)c1ccnc(-c2nnn[n-]2)n1 ZINC001577608726 1020086432 /nfs/dbraw/zinc/08/64/32/1020086432.db2.gz BMEIRWWSDHZZCN-UHFFFAOYSA-N -1 0 320.357 -0.364 20 0 DBADRM CCCNC(=O)CNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001577684563 1020102987 /nfs/dbraw/zinc/10/29/87/1020102987.db2.gz ZNUDGMMJHMRBSZ-UHFFFAOYSA-N -1 0 319.325 -0.468 20 0 DBADRM CCN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)[C@@H]1C[C@H]1C ZINC001578131194 1020193522 /nfs/dbraw/zinc/19/35/22/1020193522.db2.gz BXJRWYNXCIAHPG-NXEZZACHSA-N -1 0 316.369 -0.005 20 0 DBADRM CCN1CC2(C1)CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)CCO2 ZINC001578216143 1020203924 /nfs/dbraw/zinc/20/39/24/1020203924.db2.gz ZDZHEAZALVNZEM-UHFFFAOYSA-N -1 0 317.353 -0.259 20 0 DBADRM CCOC(=O)C[C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001578245057 1020208818 /nfs/dbraw/zinc/20/88/18/1020208818.db2.gz ASMOYSCZHCJSQB-LURJTMIESA-N -1 0 323.313 -0.580 20 0 DBADRM CCO[C@H](C)C(=O)NC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001578289209 1020209927 /nfs/dbraw/zinc/20/99/27/1020209927.db2.gz SVYBMJFDFRDWEO-RKDXNWHRSA-N -1 0 320.357 -0.580 20 0 DBADRM CCO[C@@H](CC)C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001578312677 1020213166 /nfs/dbraw/zinc/21/31/66/1020213166.db2.gz BAOMCWRHEXESIZ-VIFPVBQESA-N -1 0 320.357 -0.578 20 0 DBADRM CCOCC(=O)N(C)CCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001578343230 1020213882 /nfs/dbraw/zinc/21/38/82/1020213882.db2.gz QSVZODJZCQMSPX-UHFFFAOYSA-N -1 0 320.357 -0.412 20 0 DBADRM CCOCC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001578358123 1020219191 /nfs/dbraw/zinc/21/91/91/1020219191.db2.gz BQSRWCHFQBQBCY-SECBINFHSA-N -1 0 320.357 -0.366 20 0 DBADRM CCOCC(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001578354377 1020219241 /nfs/dbraw/zinc/21/92/41/1020219241.db2.gz BNZJJJALNDSXPR-DTWKUNHWSA-N -1 0 320.357 -0.580 20 0 DBADRM CCOCC(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001578360654 1020221491 /nfs/dbraw/zinc/22/14/91/1020221491.db2.gz KYKJQOWYHDCEIB-UHFFFAOYSA-N -1 0 318.341 -0.824 20 0 DBADRM CCOCC(=O)NCCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001578362289 1020222074 /nfs/dbraw/zinc/22/20/74/1020222074.db2.gz FSBUMPVXJLYAEJ-UHFFFAOYSA-N -1 0 321.341 -0.581 20 0 DBADRM CCOCC(=O)NCCN(CC)c1ccnc(-c2nnn[n-]2)n1 ZINC001578362493 1020222757 /nfs/dbraw/zinc/22/27/57/1020222757.db2.gz LQYQTNOCSNYOAE-UHFFFAOYSA-N -1 0 320.357 -0.364 20 0 DBADRM CCOCC(=O)NCC[C@@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001578362202 1020222925 /nfs/dbraw/zinc/22/29/25/1020222925.db2.gz CHZOJBLTXYAGBM-SECBINFHSA-N -1 0 320.357 0.000 20 0 DBADRM CC[C@@H]1OCC[C@H]1Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001578444565 1020241665 /nfs/dbraw/zinc/24/16/65/1020241665.db2.gz VGBVMMMOPMUFFA-SFYZADRCSA-N -1 0 321.341 -0.757 20 0 DBADRM CCc1nnc(Cn2c(=O)c(-c3nnn[n-]3)c(C)n(C)c2=O)o1 ZINC001578703202 1020284277 /nfs/dbraw/zinc/28/42/77/1020284277.db2.gz DJGBCGRTEDRCST-UHFFFAOYSA-N -1 0 318.297 -0.971 20 0 DBADRM CCn1nc(C)c(C(=O)Cn2cncc(-c3nnn[n-]3)c2=O)n1 ZINC001578802196 1020303931 /nfs/dbraw/zinc/30/39/31/1020303931.db2.gz OTSSVGVEFLTPOE-UHFFFAOYSA-N -1 0 315.297 -0.774 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1ccc(-c2nn[nH]n2)s1 ZINC001578837860 1020314129 /nfs/dbraw/zinc/31/41/29/1020314129.db2.gz BXHHHCPZFXLFJU-UHFFFAOYSA-N -1 0 320.342 -0.322 20 0 DBADRM CN(C)c1cc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)ccn1 ZINC001578997229 1020349061 /nfs/dbraw/zinc/34/90/61/1020349061.db2.gz YKMGEUBSAJQJER-UHFFFAOYSA-N -1 0 314.309 -0.362 20 0 DBADRM CN(CCNC(=O)c1cnon1)c1ncccc1-c1nn[nH]n1 ZINC001579203393 1020389405 /nfs/dbraw/zinc/38/94/05/1020389405.db2.gz NVUQCNYBNDLTAM-UHFFFAOYSA-N -1 0 315.297 -0.489 20 0 DBADRM CN(CCNC(=O)c1ccon1)c1cncc(-c2nn[nH]n2)n1 ZINC001579201520 1020389638 /nfs/dbraw/zinc/38/96/38/1020389638.db2.gz NDPNTBOLWFXCJD-UHFFFAOYSA-N -1 0 315.297 -0.489 20 0 DBADRM CN(CCNC(=O)c1ccn[nH]1)c1ccc(-c2nn[nH]n2)nn1 ZINC001579195933 1020390412 /nfs/dbraw/zinc/39/04/12/1020390412.db2.gz CTQBMDMYVRZMDV-UHFFFAOYSA-N -1 0 314.313 -0.754 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)[C@@H]1CC1(C)C ZINC001579214242 1020396988 /nfs/dbraw/zinc/39/69/88/1020396988.db2.gz SIZMXFMTLJQFCD-VIFPVBQESA-N -1 0 316.369 -0.005 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)c1cc(-c2nn[nH]n2)ccn1 ZINC001579267263 1020401602 /nfs/dbraw/zinc/40/16/02/1020401602.db2.gz FYVPPARHJMPENR-UHFFFAOYSA-N -1 0 302.254 -0.378 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579389244 1020442023 /nfs/dbraw/zinc/44/20/23/1020442023.db2.gz WHFRHECMHRXOCV-ZETCQYMHSA-N -1 0 319.325 -0.470 20 0 DBADRM COC(=O)C[C@H](C)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579451140 1020460139 /nfs/dbraw/zinc/46/01/39/1020460139.db2.gz KYKNHZOJKFTELH-ZETCQYMHSA-N -1 0 320.309 -0.043 20 0 DBADRM COC(=O)[C@H](C)N(C)C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579472894 1020469125 /nfs/dbraw/zinc/46/91/25/1020469125.db2.gz OONZPTZBNRNNMX-ZETCQYMHSA-N -1 0 320.309 -0.091 20 0 DBADRM COC(=O)c1ccc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)o1 ZINC001579483090 1020473161 /nfs/dbraw/zinc/47/31/61/1020473161.db2.gz ZDDCPVFFZLYEQZ-UHFFFAOYSA-N -1 0 318.249 -0.443 20 0 DBADRM CO[C@H](C)C(=O)N(C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579532149 1020479930 /nfs/dbraw/zinc/47/99/30/1020479930.db2.gz GUGZBPJDHLRSTF-MRVPVSSYSA-N -1 0 321.341 -0.582 20 0 DBADRM CO[C@H](C)C(=O)N(C)CCN(C)c1ccc(-c2nn[nH]n2)nn1 ZINC001579533141 1020482694 /nfs/dbraw/zinc/48/26/94/1020482694.db2.gz PZHWDYKHHGPGAN-SECBINFHSA-N -1 0 320.357 -0.414 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H](C)CCNc1cncc(-c2nn[nH]n2)n1 ZINC001579540877 1020484845 /nfs/dbraw/zinc/48/48/45/1020484845.db2.gz WXGXJDNZJIOUTN-IUCAKERBSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@H](C)C(=O)NC[C@H](C)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001579543547 1020485213 /nfs/dbraw/zinc/48/52/13/1020485213.db2.gz AYNZKBLXIMQCSD-RKDXNWHRSA-N -1 0 320.357 -0.144 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H](C)CN(C)c1cncc(-c2nn[nH]n2)n1 ZINC001579539343 1020485801 /nfs/dbraw/zinc/48/58/01/1020485801.db2.gz IDJNFRXQEBCGEB-IUCAKERBSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@H](C)C(=O)N[C@H](C)CCNc1nccnc1-c1nn[nH]n1 ZINC001579539053 1020486223 /nfs/dbraw/zinc/48/62/23/1020486223.db2.gz FMBWGXTTXMVUPX-RKDXNWHRSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H](C)CCNc1cncc(-c2nn[nH]n2)n1 ZINC001579540876 1020486545 /nfs/dbraw/zinc/48/65/45/1020486545.db2.gz WXGXJDNZJIOUTN-DTWKUNHWSA-N -1 0 320.357 -0.002 20 0 DBADRM COC(C)(C)CCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001579534176 1020487203 /nfs/dbraw/zinc/48/72/03/1020487203.db2.gz PLKCUAXOKHIAMP-UHFFFAOYSA-N -1 0 323.361 -0.428 20 0 DBADRM CO[C@H](C)C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579540211 1020487837 /nfs/dbraw/zinc/48/78/37/1020487837.db2.gz PDJFNSUTHZXRNU-HTQZYQBOSA-N -1 0 321.341 -0.536 20 0 DBADRM CO[C@H](C)C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001579543560 1020488248 /nfs/dbraw/zinc/48/82/48/1020488248.db2.gz BCSYRLHXXJQUNO-DTWKUNHWSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@@H](C)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001579539863 1020488483 /nfs/dbraw/zinc/48/84/83/1020488483.db2.gz MQORVVYHGGUXIU-JTQLQIEISA-N -1 0 317.353 -0.055 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@@H](C)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001579543546 1020489026 /nfs/dbraw/zinc/48/90/26/1020489026.db2.gz AYNZKBLXIMQCSD-IUCAKERBSA-N -1 0 320.357 -0.144 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001579562371 1020495376 /nfs/dbraw/zinc/49/53/76/1020495376.db2.gz RCGOUGQXTNBTLJ-DTWKUNHWSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001579561452 1020496939 /nfs/dbraw/zinc/49/69/39/1020496939.db2.gz ICWKRLRUFCAIOQ-IUCAKERBSA-N -1 0 320.357 -0.002 20 0 DBADRM COCC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579633416 1020515595 /nfs/dbraw/zinc/51/55/95/1020515595.db2.gz KPEOAYVEZKSRGI-ZDUSSCGKSA-N -1 0 318.341 -0.612 20 0 DBADRM COC[C@@H](C)C(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001579678183 1020534939 /nfs/dbraw/zinc/53/49/39/1020534939.db2.gz CBZOZMGAOQHZHJ-BDAKNGLRSA-N -1 0 320.357 -0.722 20 0 DBADRM COC[C@H](NC(=O)c1cc(-c2nn[nH]n2)oc1C)c1nnn[n-]1 ZINC001579697795 1020537551 /nfs/dbraw/zinc/53/75/51/1020537551.db2.gz QZJWOQGBMCZSKF-ZETCQYMHSA-N -1 0 319.285 -0.601 20 0 DBADRM COC[C@@H](NC(=O)c1sccc1-c1nn[nH]n1)c1nnn[n-]1 ZINC001579700173 1020538572 /nfs/dbraw/zinc/53/85/72/1020538572.db2.gz PVHULQZOWCVOEN-ZCFIWIBFSA-N -1 0 321.326 -0.441 20 0 DBADRM COCCC(=O)NCC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001579769030 1020555616 /nfs/dbraw/zinc/55/56/16/1020555616.db2.gz PWLKYFFDVMEKPR-SECBINFHSA-N -1 0 320.357 -0.578 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579868387 1020577437 /nfs/dbraw/zinc/57/74/37/1020577437.db2.gz WOUUEPNZGQBALR-DTWKUNHWSA-N -1 0 320.309 -0.581 20 0 DBADRM CO[C@H]1C[C@H](CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001579869905 1020578869 /nfs/dbraw/zinc/57/88/69/1020578869.db2.gz JGJKTGCFXXKHLQ-KYZUINATSA-N -1 0 321.345 -0.818 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@@H]2CCN(C)C2=O)c1[O-] ZINC001579884391 1020581027 /nfs/dbraw/zinc/58/10/27/1020581027.db2.gz BOMLCNCHBSOBNK-CBAPKCEASA-N -1 0 323.353 -0.863 20 0 DBADRM CC(=O)NCC1CC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001508391383 1020581456 /nfs/dbraw/zinc/58/14/56/1020581456.db2.gz JWKFRUVWZBZYNY-UHFFFAOYSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)Cn2cccn2)c1[O-] ZINC001508737972 1020659361 /nfs/dbraw/zinc/65/93/61/1020659361.db2.gz XXQAQOQLZXFDOF-SECBINFHSA-N -1 0 320.353 -0.103 20 0 DBADRM CS[C@H](C)C(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001580189341 1020665611 /nfs/dbraw/zinc/66/56/11/1020665611.db2.gz IXTIVPJKXVGYRZ-JGVFFNPUSA-N -1 0 322.398 -0.253 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1cocn1 ZINC001580289995 1020681717 /nfs/dbraw/zinc/68/17/17/1020681717.db2.gz AUWDPRFCNCPGIL-ZETCQYMHSA-N -1 0 315.297 -0.703 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1cnco1 ZINC001580290772 1020681752 /nfs/dbraw/zinc/68/17/52/1020681752.db2.gz PTIKNJWOZMCWQT-ZETCQYMHSA-N -1 0 315.297 -0.703 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCO1 ZINC001580413948 1020708470 /nfs/dbraw/zinc/70/84/70/1020708470.db2.gz GDQUAGKDEKTGIJ-BDAKNGLRSA-N -1 0 318.341 -0.826 20 0 DBADRM C/C=C(\C)C(=O)N[C@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001580417314 1020709969 /nfs/dbraw/zinc/70/99/69/1020709969.db2.gz SGESNMZRXWCPIM-VGANXODHSA-N -1 0 311.342 -0.334 20 0 DBADRM C/C=C(/C)C(=O)N[C@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001580417313 1020710582 /nfs/dbraw/zinc/71/05/82/1020710582.db2.gz SGESNMZRXWCPIM-USYJTPIQSA-N -1 0 311.342 -0.334 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)C1(C)CC1 ZINC001508994284 1020715951 /nfs/dbraw/zinc/71/59/51/1020715951.db2.gz ITCPCSOWIDWRDP-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@H]1[C@@H](O)CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001580456430 1020718925 /nfs/dbraw/zinc/71/89/25/1020718925.db2.gz XBZNHBJKGTUNTF-YUMQZZPRSA-N -1 0 313.339 -0.006 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC/C=C\CNc1ccnc(-c2nnn[n-]2)n1 ZINC001580454511 1020719554 /nfs/dbraw/zinc/71/95/54/1020719554.db2.gz AKZVCFCQHSYDAM-ADLDAWLNSA-N -1 0 314.353 -0.181 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC[C@H](O)[C@@H](F)C1 ZINC001580598055 1020760572 /nfs/dbraw/zinc/76/05/72/1020760572.db2.gz QAJHMWPVGCJQQV-IUCAKERBSA-N -1 0 322.300 -0.179 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CCNC(=O)[C@H]1C ZINC001580600736 1020764052 /nfs/dbraw/zinc/76/40/52/1020764052.db2.gz PDRVPTARSDPGDJ-SSDOTTSWSA-N -1 0 317.309 -0.764 20 0 DBADRM Cc1cc(NC(=O)Cn2ccc(-c3nnn[n-]3)cc2=O)on1 ZINC001580980651 1020818278 /nfs/dbraw/zinc/81/82/78/1020818278.db2.gz JXSVCWWKPWSHQJ-UHFFFAOYSA-N -1 0 301.266 -0.036 20 0 DBADRM Cc1cc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)[nH]c(=O)n1 ZINC001580978795 1020818316 /nfs/dbraw/zinc/81/83/16/1020818316.db2.gz GBBIQLYTVQTWJH-LURJTMIESA-N -1 0 316.285 -0.538 20 0 DBADRM Cc1cc(NC(=O)NCc2n[nH]c(=O)[n-]2)ncc1-c1nn[nH]n1 ZINC001580983423 1020819512 /nfs/dbraw/zinc/81/95/12/1020819512.db2.gz ICMOGKUMRRQKAM-UHFFFAOYSA-N -1 0 316.285 -0.284 20 0 DBADRM CC(C)C(=O)NCCC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001510062405 1020830564 /nfs/dbraw/zinc/83/05/64/1020830564.db2.gz KAUFMZBBRAUDFX-MRVPVSSYSA-N -1 0 311.342 -0.047 20 0 DBADRM Cc1ccnc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)c1 ZINC001581278673 1020830868 /nfs/dbraw/zinc/83/08/68/1020830868.db2.gz BOUKNRWCEIXLOL-UHFFFAOYSA-N -1 0 314.309 -0.018 20 0 DBADRM Cc1nc(-c2nn[nH]n2)cc(N2CCC(OCC(N)=O)CC2)n1 ZINC001581410992 1020833141 /nfs/dbraw/zinc/83/31/41/1020833141.db2.gz GICWLIRGKRNLQW-UHFFFAOYSA-N -1 0 318.341 -0.564 20 0 DBADRM Cc1nc(-c2nn[nH]n2)cc(N2CC[C@H](CS(N)(=O)=O)C2)n1 ZINC001581411252 1020833815 /nfs/dbraw/zinc/83/38/15/1020833815.db2.gz RNQCFAPZUBIUTC-QMMMGPOBSA-N -1 0 324.370 -0.920 20 0 DBADRM Cc1nc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)oc1C ZINC001581454168 1020836161 /nfs/dbraw/zinc/83/61/61/1020836161.db2.gz MGFPYEYTDKCBDY-UHFFFAOYSA-N -1 0 318.297 -0.117 20 0 DBADRM Cc1nc(NC[C@]2(OCCO)CCOC2)cc(-c2nn[nH]n2)n1 ZINC001581512493 1020836839 /nfs/dbraw/zinc/83/68/39/1020836839.db2.gz AWCCYFLVMQGATI-CYBMUJFWSA-N -1 0 321.341 -0.455 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)c1ccc(-c3nn[nH]n3)n1C)C2 ZINC001581532303 1020838014 /nfs/dbraw/zinc/83/80/14/1020838014.db2.gz CUUOZAIZRPNDSC-UHFFFAOYSA-N -1 0 313.325 -0.239 20 0 DBADRM Cc1nccnc1N(C)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001581566254 1020839431 /nfs/dbraw/zinc/83/94/31/1020839431.db2.gz RIEYYKQGUNFVTH-MRVPVSSYSA-N -1 0 314.313 -0.219 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)Cn2cnc(-c3nnn[n-]3)n2)s1 ZINC001581606536 1020840190 /nfs/dbraw/zinc/84/01/90/1020840190.db2.gz RBVPJXLMKXJQSU-RXMQYKEDSA-N -1 0 320.342 -0.504 20 0 DBADRM Cc1noc([C@@H]2OCC[C@@H]2Nc2ccnc(-c3nnn[n-]3)n2)n1 ZINC001581637996 1020841043 /nfs/dbraw/zinc/84/10/43/1020841043.db2.gz ZXRYNPWTISQLOW-IONNQARKSA-N -1 0 315.297 -0.288 20 0 DBADRM Cc1n[nH]c(C(=O)NCCOCCCNC(=O)C(F)F)c1[O-] ZINC001510295820 1020841288 /nfs/dbraw/zinc/84/12/88/1020841288.db2.gz VJTCRYDFRBYGJA-UHFFFAOYSA-N -1 0 320.296 -0.058 20 0 DBADRM Cn1c(=O)[nH]c(NCCc2nccs2)c(-c2nnn[n-]2)c1=O ZINC001581747388 1020843245 /nfs/dbraw/zinc/84/32/45/1020843245.db2.gz MCTNZVFCELEJQE-UHFFFAOYSA-N -1 0 320.338 -0.223 20 0 DBADRM Cn1c(=O)[nH]c(NCc2cccc(N)n2)c(-c2nnn[n-]2)c1=O ZINC001581747574 1020843428 /nfs/dbraw/zinc/84/34/28/1020843428.db2.gz PKCMNRDEXDIFFV-UHFFFAOYSA-N -1 0 315.297 -0.745 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H](CO)CC(F)F)c(-c2nnn[n-]2)c1=O ZINC001581748259 1020845045 /nfs/dbraw/zinc/84/50/45/1020845045.db2.gz VHVJHSCAISJRSU-SCSAIBSYSA-N -1 0 317.256 -0.906 20 0 DBADRM Cn1c(=O)[nH]c(N2Cc3ccncc3C2)c(-c2nnn[n-]2)c1=O ZINC001581748149 1020845140 /nfs/dbraw/zinc/84/51/40/1020845140.db2.gz QSTFVSIJEMQREG-UHFFFAOYSA-N -1 0 312.293 -0.831 20 0 DBADRM C[C@H](CN(C)C(=O)C1CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001510422309 1020847136 /nfs/dbraw/zinc/84/71/36/1020847136.db2.gz GNXGWTJMHSGECX-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM Cn1ccnc1CCNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001581798892 1020848611 /nfs/dbraw/zinc/84/86/11/1020848611.db2.gz CGATYVXHVHXQQR-UHFFFAOYSA-N -1 0 317.313 -0.946 20 0 DBADRM Cn1cnc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001581808226 1020848676 /nfs/dbraw/zinc/84/86/76/1020848676.db2.gz RWTHTMGTLSZQKB-UHFFFAOYSA-N -1 0 323.338 -0.286 20 0 DBADRM NC(=O)[C@H](Nc1ccnc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001581888178 1020856106 /nfs/dbraw/zinc/85/61/06/1020856106.db2.gz YUMQTVFVKLFXHK-SNVBAGLBSA-N -1 0 314.284 -0.144 20 0 DBADRM O=C(CC1(O)CCOCC1)NCc1cncc(-c2nn[nH]n2)c1 ZINC001581965215 1020863466 /nfs/dbraw/zinc/86/34/66/1020863466.db2.gz JDXCILPYNARVHG-UHFFFAOYSA-N -1 0 318.337 -0.191 20 0 DBADRM O=C(CCCF)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001582041513 1020871058 /nfs/dbraw/zinc/87/10/58/1020871058.db2.gz IXUYFHHIQRLQML-SECBINFHSA-N -1 0 320.332 -0.159 20 0 DBADRM O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1C[C@@H](O)[C@H](CO)C1 ZINC001582057495 1020872496 /nfs/dbraw/zinc/87/24/96/1020872496.db2.gz INQXJYIWKGPTKD-QWHCGFSZSA-N -1 0 317.349 -0.389 20 0 DBADRM O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NC1CC=CC1 ZINC001582083166 1020874850 /nfs/dbraw/zinc/87/48/50/1020874850.db2.gz ALSBVZYAVQXSGB-UHFFFAOYSA-N -1 0 317.309 -0.646 20 0 DBADRM O=C(CN1C[C@@H](O)[C@H](CO)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001582098790 1020877218 /nfs/dbraw/zinc/87/72/18/1020877218.db2.gz YVQFEQYFWLIMHA-CMPLNLGQSA-N -1 0 318.337 -0.910 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NCc1ccoc1 ZINC001582187872 1020883648 /nfs/dbraw/zinc/88/36/48/1020883648.db2.gz WIJZPZPRUJAYRO-UHFFFAOYSA-N -1 0 317.265 -0.962 20 0 DBADRM O=C(Cn1cc(C2CC2)nn1)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001582189219 1020884017 /nfs/dbraw/zinc/88/40/17/1020884017.db2.gz CDGSVHZLPRFFSB-UHFFFAOYSA-N -1 0 300.286 -0.303 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NC1CCCCC1 ZINC001582186813 1020884300 /nfs/dbraw/zinc/88/43/00/1020884300.db2.gz ZCOYIDUYBQAMEC-UHFFFAOYSA-N -1 0 319.325 -0.422 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC[C@@H]1CCCC[C@@H]1O ZINC001582199264 1020884877 /nfs/dbraw/zinc/88/48/77/1020884877.db2.gz HPWRXNBIMLWDDB-UWVGGRQHSA-N -1 0 320.357 -0.484 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1CC12CC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001510806133 1020887901 /nfs/dbraw/zinc/88/79/01/1020887901.db2.gz YAWVGEWLVGUVKV-RKDXNWHRSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(NC1CC(CO)(CO)C1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001582259917 1020888791 /nfs/dbraw/zinc/88/87/91/1020888791.db2.gz ULBHIWOHBWRXMK-UHFFFAOYSA-N -1 0 319.321 -0.565 20 0 DBADRM O=C(N[C@@H]1CC[C@@H](O)[C@@H](O)C1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001582327639 1020890953 /nfs/dbraw/zinc/89/09/53/1020890953.db2.gz HJNUPGXFLLRMMS-UISBYWKRSA-N -1 0 319.321 -0.424 20 0 DBADRM O=C(NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CCC1)C1CC1 ZINC001582397590 1020895597 /nfs/dbraw/zinc/89/55/97/1020895597.db2.gz WONFTFWZHCXGOS-UHFFFAOYSA-N -1 0 314.353 -0.061 20 0 DBADRM O=C(c1ccc(F)c(-c2nn[nH]n2)c1)N1CC[C@@H](O)[C@H](CO)C1 ZINC001582703551 1020919993 /nfs/dbraw/zinc/91/99/93/1020919993.db2.gz GUJFAFCHEDEWML-JOYOIKCWSA-N -1 0 321.312 -0.179 20 0 DBADRM O=S(=O)(NCc1ccncn1)c1cccnc1-c1nnn[n-]1 ZINC001582797045 1020924741 /nfs/dbraw/zinc/92/47/41/1020924741.db2.gz BYRYFUWYGKRZQY-UHFFFAOYSA-N -1 0 318.322 -0.470 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)C2(C)CCC2)c1[O-] ZINC001510908660 1020940435 /nfs/dbraw/zinc/94/04/35/1020940435.db2.gz ZHOCZVGDWAJWGK-VIFPVBQESA-N -1 0 310.354 -0.179 20 0 DBADRM O=C(NCC=CCNC(=O)C1CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001583013705 1020962862 /nfs/dbraw/zinc/96/28/62/1020962862.db2.gz RVMSVRWLKUSGAC-OWOJBTEDSA-N -1 0 307.310 -0.515 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2cnns2)c1[O-] ZINC001583101831 1020970284 /nfs/dbraw/zinc/97/02/84/1020970284.db2.gz AYYQXELQHDLIQS-IHWYPQMZSA-N -1 0 322.350 -0.009 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2cnnn2C)c1[O-] ZINC001583219092 1020981712 /nfs/dbraw/zinc/98/17/12/1020981712.db2.gz IMUATPKADJZIIG-ARJAWSKDSA-N -1 0 319.325 -0.732 20 0 DBADRM CC1(C(=O)NC/C=C\CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001583511807 1020995633 /nfs/dbraw/zinc/99/56/33/1020995633.db2.gz DLTCEWYAVLLIKT-IHWYPQMZSA-N -1 0 323.353 -0.332 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC=CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001583854160 1021005407 /nfs/dbraw/zinc/00/54/07/1021005407.db2.gz VFPWCRJPLSUPQL-BDAKNGLRSA-N -1 0 321.337 -0.126 20 0 DBADRM CC/C=C(\C)C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001584600295 1021022946 /nfs/dbraw/zinc/02/29/46/1021022946.db2.gz VXFSYYUNCIUWEM-WXLQGSQKSA-N -1 0 323.353 -0.237 20 0 DBADRM CC(=O)NCC(=O)N1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C[C@@H]1C ZINC001511212720 1021031222 /nfs/dbraw/zinc/03/12/22/1021031222.db2.gz BQTGMFURTGFHCL-OIBJUYFYSA-N -1 0 323.353 -0.721 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCOC[C@@H]1CCOC1 ZINC001585066760 1021043879 /nfs/dbraw/zinc/04/38/79/1021043879.db2.gz VGTOXBCSOSEGNJ-MRVPVSSYSA-N -1 0 302.356 -0.228 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCNC(=O)OCC(F)(F)F ZINC001585637893 1021061163 /nfs/dbraw/zinc/06/11/63/1021061163.db2.gz DBOZXFWLHBBOED-UHFFFAOYSA-N -1 0 301.221 -0.541 20 0 DBADRM O=C(CC(=O)N1CCC(c2nnn[n-]2)CC1)NCC(F)(F)F ZINC001587870549 1021084455 /nfs/dbraw/zinc/08/44/55/1021084455.db2.gz WRWAFYZMTKXYBT-UHFFFAOYSA-N -1 0 320.275 -0.026 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001588217274 1021087542 /nfs/dbraw/zinc/08/75/42/1021087542.db2.gz DZGQGRJVAIUTDG-SECBINFHSA-N -1 0 306.326 -0.555 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H](C)[C@@H]1CCC(=O)N1)[C@H](C)C(=O)[O-] ZINC001588501370 1021106708 /nfs/dbraw/zinc/10/67/08/1021106708.db2.gz DOOCKMGLNAKZLS-KKZNHRDASA-N -1 0 313.354 -0.661 20 0 DBADRM CC(=O)N1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)[C@H](C)C1 ZINC001588496530 1021106875 /nfs/dbraw/zinc/10/68/75/1021106875.db2.gz IOUHQQNSMCXNPM-SNVBAGLBSA-N -1 0 321.333 -0.374 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC001588501931 1021106890 /nfs/dbraw/zinc/10/68/90/1021106890.db2.gz LTZDEBYQPLYJRO-LLVKDONJSA-N -1 0 313.354 -0.515 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC001588495883 1021106999 /nfs/dbraw/zinc/10/69/99/1021106999.db2.gz XUJSWYZROBICNZ-WDEREUQCSA-N -1 0 312.322 -0.669 20 0 DBADRM CC(=O)NCC(=O)N1CCCN(c2cccc(C(=O)[O-])n2)CC1 ZINC001588501949 1021107196 /nfs/dbraw/zinc/10/71/96/1021107196.db2.gz MDLGHNCGOAENHR-UHFFFAOYSA-N -1 0 320.349 -0.045 20 0 DBADRM CC(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC001588492438 1021107745 /nfs/dbraw/zinc/10/77/45/1021107745.db2.gz ISQBXMWLDJXNDR-IUODEOHRSA-N -1 0 310.350 -0.196 20 0 DBADRM CC(=O)NCCN(C(=O)CNCC(F)(F)F)[C@@H](C)C(=O)[O-] ZINC001588507556 1021108786 /nfs/dbraw/zinc/10/87/86/1021108786.db2.gz JLJUYELHECQJFH-ZETCQYMHSA-N -1 0 313.276 -0.424 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCNC(=O)CC1)[C@@H](C)C(=O)[O-] ZINC001588506111 1021108876 /nfs/dbraw/zinc/10/88/76/1021108876.db2.gz DAMWMWKTGAZVMD-ONGXEEELSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCCn2ncnc21)[C@H](C)C(=O)[O-] ZINC001588506973 1021109057 /nfs/dbraw/zinc/10/90/57/1021109057.db2.gz XMRGTJGSTOWKNU-MWLCHTKSSA-N -1 0 323.353 -0.407 20 0 DBADRM CC(=O)NC[C@H]1CCCCN1C(=O)NCCOCC(=O)[O-] ZINC001588502429 1021109383 /nfs/dbraw/zinc/10/93/83/1021109383.db2.gz SVTKXNCGPFRWEZ-LLVKDONJSA-N -1 0 301.343 -0.212 20 0 DBADRM CC(=O)NCC[C@@H]1CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001588502309 1021109435 /nfs/dbraw/zinc/10/94/35/1021109435.db2.gz QIJDDXAADORDLY-LBPRGKRZSA-N -1 0 320.411 -0.276 20 0 DBADRM CC(=O)OC1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001588525717 1021110682 /nfs/dbraw/zinc/11/06/82/1021110682.db2.gz BGSVMVIGCYDXEI-SNVBAGLBSA-N -1 0 312.322 -0.526 20 0 DBADRM CC(=O)NC[C@@H](O)CN(C)C(=O)c1n[n-]c2ccccc2c1=O ZINC001511626448 1021110761 /nfs/dbraw/zinc/11/07/61/1021110761.db2.gz FQFHVLAHBCSRLS-SNVBAGLBSA-N -1 0 318.333 -0.096 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001588545337 1021112515 /nfs/dbraw/zinc/11/25/15/1021112515.db2.gz QPXJGBUJKGPYPN-VIFPVBQESA-N -1 0 322.383 -0.736 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001588554823 1021115335 /nfs/dbraw/zinc/11/53/35/1021115335.db2.gz WHMGEMNCEKXNEC-RAIGVLPGSA-N -1 0 323.393 -0.092 20 0 DBADRM C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001588552649 1021115686 /nfs/dbraw/zinc/11/56/86/1021115686.db2.gz YFJXTTKAGWCFDQ-QMMMGPOBSA-N -1 0 311.342 -0.262 20 0 DBADRM C[C@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)n1cnc2c1ncnc2N ZINC001588551041 1021116221 /nfs/dbraw/zinc/11/62/21/1021116221.db2.gz OEMHEOGASATUFX-SFYZADRCSA-N -1 0 320.309 -0.719 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)Cn1ncn2nccc2c1=O)C1CC1 ZINC001588584830 1021116657 /nfs/dbraw/zinc/11/66/57/1021116657.db2.gz NWPDRDHNILVQQO-QMMMGPOBSA-N -1 0 305.294 -0.645 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C1CC1 ZINC001588590837 1021116758 /nfs/dbraw/zinc/11/67/58/1021116758.db2.gz ATBLGOPTYSSAEI-APPZFPTMSA-N -1 0 323.309 -0.536 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1 ZINC001588568439 1021117266 /nfs/dbraw/zinc/11/72/66/1021117266.db2.gz IEEJMGGLACQZMP-QMMMGPOBSA-N -1 0 304.310 -0.259 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)O[C@@H]1C[C@@H]2C(=O)NCc3cccnc3N2C1 ZINC001588583954 1021117869 /nfs/dbraw/zinc/11/78/69/1021117869.db2.gz WJTKPOKYOFDYOI-JMJZKYOTSA-N -1 0 319.317 -0.077 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001588571063 1021117905 /nfs/dbraw/zinc/11/79/05/1021117905.db2.gz VZHPVLTWEXGBSH-DTWKUNHWSA-N -1 0 304.310 -0.460 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001588566424 1021117962 /nfs/dbraw/zinc/11/79/62/1021117962.db2.gz XARBKLSENLHYSV-NXEZZACHSA-N -1 0 306.384 -0.163 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC001588575331 1021118307 /nfs/dbraw/zinc/11/83/07/1021118307.db2.gz LMWJXDJIPBDUCB-MRVPVSSYSA-N -1 0 307.306 -0.097 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NC2CCOCC2)n1 ZINC001588620127 1021120239 /nfs/dbraw/zinc/12/02/39/1021120239.db2.gz NFLDIUPPNLCMFV-UHFFFAOYSA-N -1 0 324.337 -0.064 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001588611169 1021120639 /nfs/dbraw/zinc/12/06/39/1021120639.db2.gz LDZJARNBVCBZCE-TVQRCGJNSA-N -1 0 319.379 -0.050 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001588631215 1021121350 /nfs/dbraw/zinc/12/13/50/1021121350.db2.gz GWQLYFAHJQAXMO-RKDXNWHRSA-N -1 0 319.383 -0.906 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)CC[C@H]2NC(=O)NC2=O)n1 ZINC001588621257 1021121679 /nfs/dbraw/zinc/12/16/79/1021121679.db2.gz CSGNRPKUAUWFES-SSDOTTSWSA-N -1 0 323.309 -0.371 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)n1 ZINC001588626677 1021121697 /nfs/dbraw/zinc/12/16/97/1021121697.db2.gz QYUHJJUNHIOKPZ-PSVAKVPMSA-N -1 0 312.326 -0.292 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001588651305 1021123738 /nfs/dbraw/zinc/12/37/38/1021123738.db2.gz GQZRSOCVEVZYST-ZJUUUORDSA-N -1 0 312.322 -0.504 20 0 DBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001588640569 1021124015 /nfs/dbraw/zinc/12/40/15/1021124015.db2.gz ZTMVDBYAFPKUOS-TVLCNXBWSA-N -1 0 313.354 -0.371 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001588651785 1021124385 /nfs/dbraw/zinc/12/43/85/1021124385.db2.gz WXMHPNYCVBKLRH-VHSXEESVSA-N -1 0 312.322 -0.504 20 0 DBADRM CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001588669881 1021125996 /nfs/dbraw/zinc/12/59/96/1021125996.db2.gz ONRKYKISNUTEMZ-ZDUSSCGKSA-N -1 0 313.310 -0.070 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)Nc1n[nH]cc1C(=O)[O-] ZINC001588665763 1021126722 /nfs/dbraw/zinc/12/67/22/1021126722.db2.gz SKSWQBFRNKHLMH-UHFFFAOYSA-N -1 0 304.328 -0.236 20 0 DBADRM CC(C)(CCCO)CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001588768519 1021130292 /nfs/dbraw/zinc/13/02/92/1021130292.db2.gz UXIPWOLNHQGHFQ-SNVBAGLBSA-N -1 0 316.354 -0.787 20 0 DBADRM CC(C)(CO)N1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001588783923 1021130973 /nfs/dbraw/zinc/13/09/73/1021130973.db2.gz GTGQPHLXFDELOI-UHFFFAOYSA-N -1 0 314.382 -0.217 20 0 DBADRM CC(C)(CCNC(=O)N1CC[C@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC001588774340 1021131056 /nfs/dbraw/zinc/13/10/56/1021131056.db2.gz NRYYFDFEVOQDIS-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)(CCNC(=O)NCc1nnc2c(=O)[nH]ccn12)C(=O)[O-] ZINC001588773474 1021131135 /nfs/dbraw/zinc/13/11/35/1021131135.db2.gz BKWFZQOIKLUKAG-UHFFFAOYSA-N -1 0 322.325 -0.282 20 0 DBADRM CC(C)(O)C(C)(C)CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001588795542 1021132006 /nfs/dbraw/zinc/13/20/06/1021132006.db2.gz DQZGDXPAGPGVFG-SECBINFHSA-N -1 0 316.354 -0.788 20 0 DBADRM CC(C)(NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1)C(=O)[O-] ZINC001588785728 1021132635 /nfs/dbraw/zinc/13/26/35/1021132635.db2.gz ILKQOYNQZASJNN-UWVGGRQHSA-N -1 0 307.306 -0.063 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC(F)(F)C[C@@H]1CO)C(=O)[O-] ZINC001588815145 1021134866 /nfs/dbraw/zinc/13/48/66/1021134866.db2.gz DISRWDPYLFWNKS-RKDXNWHRSA-N -1 0 322.308 -0.312 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N(C)Cc1cn(C)nn1)C(=O)[O-] ZINC001588815750 1021136072 /nfs/dbraw/zinc/13/60/72/1021136072.db2.gz UYVCLPOLJWXIMG-SNVBAGLBSA-N -1 0 311.342 -0.754 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1C[C@H](C)[C@](C)(CO)C1)C(=O)[O-] ZINC001588815290 1021136232 /nfs/dbraw/zinc/13/62/32/1021136232.db2.gz KIDVCQGTPFSXFE-PGUXBMHVSA-N -1 0 314.382 -0.064 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O)C(=O)[O-] ZINC001588815238 1021136783 /nfs/dbraw/zinc/13/67/83/1021136783.db2.gz HYLFVAIOTKTYON-AZEIHPCSSA-N -1 0 316.379 -0.809 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O)C(=O)[O-] ZINC001588815237 1021137113 /nfs/dbraw/zinc/13/71/13/1021137113.db2.gz HYLFVAIOTKTYON-ZCMQNPMTSA-N -1 0 316.379 -0.809 20 0 DBADRM CC(C)[C@@H](CNC(=O)Nc1ccc(=O)n(CC(N)=O)c1)C(=O)[O-] ZINC001588827152 1021138719 /nfs/dbraw/zinc/13/87/19/1021138719.db2.gz LMTJOFCXXLLAPN-SNVBAGLBSA-N -1 0 324.337 -0.188 20 0 DBADRM CC(=O)N1C[C@H]2CN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001588828251 1021139363 /nfs/dbraw/zinc/13/93/63/1021139363.db2.gz ZPBGUAUGEGQPTR-AOOOYVTPSA-N -1 0 300.326 -0.429 20 0 DBADRM CC(=O)NCC(=O)NC1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001511934124 1021141159 /nfs/dbraw/zinc/14/11/59/1021141159.db2.gz ZALQTBIAOCOXBQ-UHFFFAOYSA-N -1 0 323.353 -0.721 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001588843317 1021141858 /nfs/dbraw/zinc/14/18/58/1021141858.db2.gz KZJWDTLGGPRKTN-AEJSXWLSSA-N -1 0 313.354 -0.628 20 0 DBADRM CC(C)C[C@@H](CNC(=O)N1CC(S(N)(=O)=O)C1)C(=O)[O-] ZINC001588846819 1021142217 /nfs/dbraw/zinc/14/22/17/1021142217.db2.gz KENASFWUICYKOO-QMMMGPOBSA-N -1 0 307.372 -0.584 20 0 DBADRM CC(C)CNC(=O)NC(=O)CN[C@H](C(=O)[O-])c1ccnn1C ZINC001588875861 1021147798 /nfs/dbraw/zinc/14/77/98/1021147798.db2.gz APGOUHQQSVVKHU-NSHDSACASA-N -1 0 311.342 -0.383 20 0 DBADRM CC(C)N1C[C@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)CC1=O ZINC001588922084 1021149630 /nfs/dbraw/zinc/14/96/30/1021149630.db2.gz XQAZRTQDAOIWGT-SNVBAGLBSA-N -1 0 321.333 -0.328 20 0 DBADRM CC(C)OC(=O)CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001588927810 1021152594 /nfs/dbraw/zinc/15/25/94/1021152594.db2.gz FUMVPZGSUFIHPL-JTQLQIEISA-N -1 0 314.338 -0.233 20 0 DBADRM CC(C)OCCN1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001588931689 1021154560 /nfs/dbraw/zinc/15/45/60/1021154560.db2.gz PGSWGJWCWOXYCB-UHFFFAOYSA-N -1 0 322.427 -0.472 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001588927569 1021154877 /nfs/dbraw/zinc/15/48/77/1021154877.db2.gz WJKOGKXVBJNTCI-RKDXNWHRSA-N -1 0 307.372 -0.954 20 0 DBADRM C/C(=C\C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-])c1cnccn1 ZINC001588937701 1021156600 /nfs/dbraw/zinc/15/66/00/1021156600.db2.gz PIZKVAWFQPAKIX-NKLKJHRZSA-N -1 0 304.306 -0.366 20 0 DBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)C(N)=O ZINC001588943335 1021156664 /nfs/dbraw/zinc/15/66/64/1021156664.db2.gz XDSNUBCPWYJWRW-GFCCVEGCSA-N -1 0 321.333 -0.122 20 0 DBADRM C[C@@H](C(=O)N(C)Cc1cnccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001588943557 1021157089 /nfs/dbraw/zinc/15/70/89/1021157089.db2.gz SVGQISNYRCGBKQ-QMMMGPOBSA-N -1 0 314.313 -0.532 20 0 DBADRM CC(C)Oc1cc(NC(=O)C(=O)NCC(=O)[O-])ccc1C(N)=O ZINC001588936113 1021157495 /nfs/dbraw/zinc/15/74/95/1021157495.db2.gz ITEZSXIVFHJHLV-UHFFFAOYSA-N -1 0 323.305 -0.288 20 0 DBADRM C/C(=C/C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])CN1CCOCC1 ZINC001588942436 1021158491 /nfs/dbraw/zinc/15/84/91/1021158491.db2.gz KLDQCBMXNUBPFV-YTYACIELSA-N -1 0 312.366 -0.129 20 0 DBADRM C/C(=C/C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001588939158 1021158564 /nfs/dbraw/zinc/15/85/64/1021158564.db2.gz SFEOGPOWSFLXDD-DHHDDZJSSA-N -1 0 320.349 -0.158 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21)n1cnc(-c2nnn[n-]2)n1 ZINC001588961897 1021161585 /nfs/dbraw/zinc/16/15/85/1021161585.db2.gz AFZQLUCCWFXCML-AXTSPUMRSA-N -1 0 318.341 -0.609 20 0 DBADRM CC(C)[C@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)C(=O)[O-] ZINC001588957915 1021162464 /nfs/dbraw/zinc/16/24/64/1021162464.db2.gz ASMSQHUSKUZXOE-ZDUSSCGKSA-N -1 0 320.349 -0.143 20 0 DBADRM CC(C)[C@]12C[C@H]1C(=O)N(CCS(=O)(=O)CC(=O)[O-])C2=O ZINC001588962837 1021164487 /nfs/dbraw/zinc/16/44/87/1021164487.db2.gz BFGJIKOJLTWXEN-QPUJVOFHSA-N -1 0 303.336 -0.483 20 0 DBADRM C[C@H](C(=O)N1CCCC[C@H]1CCO)n1cnc(-c2nnn[n-]2)n1 ZINC001588957014 1021164567 /nfs/dbraw/zinc/16/45/67/1021164567.db2.gz OAMRPHDIKMUEAG-ZJUUUORDSA-N -1 0 320.357 -0.217 20 0 DBADRM CC(C)[C@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001588958487 1021165658 /nfs/dbraw/zinc/16/56/58/1021165658.db2.gz DIIHXLRKHMLQBF-CBAPKCEASA-N -1 0 311.298 -0.775 20 0 DBADRM C[C@H](C(=O)N1CCC2(COC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588952279 1021165706 /nfs/dbraw/zinc/16/57/06/1021165706.db2.gz ROQTUMMYKVAFFR-MRVPVSSYSA-N -1 0 304.314 -0.732 20 0 DBADRM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C1(CO)CC1 ZINC001588966130 1021167318 /nfs/dbraw/zinc/16/73/18/1021167318.db2.gz VLGWFHDTLONQLL-YUMQZZPRSA-N -1 0 306.330 -0.704 20 0 DBADRM C/C(=C\CNC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)C(=O)[O-] ZINC001588968204 1021168098 /nfs/dbraw/zinc/16/80/98/1021168098.db2.gz LDRPJMQUUPJIRJ-WXLQGSQKSA-N -1 0 319.383 -0.307 20 0 DBADRM C[C@H](C(=O)N[C@@]12C[C@@H]1COC2(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588971025 1021169424 /nfs/dbraw/zinc/16/94/24/1021169424.db2.gz SQHXDNQVENXQJK-RBDZCENOSA-N -1 0 318.341 -0.297 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCOC1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588978133 1021170018 /nfs/dbraw/zinc/17/00/18/1021170018.db2.gz NSIHNUAQZNSIIK-HTQZYQBOSA-N -1 0 306.330 -0.297 20 0 DBADRM CC(C)c1nnc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])o1 ZINC001588976662 1021170247 /nfs/dbraw/zinc/17/02/47/1021170247.db2.gz NHVPZVUIJVMSEY-QMMMGPOBSA-N -1 0 303.340 -0.123 20 0 DBADRM CC(C)n1nnc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001588988529 1021174368 /nfs/dbraw/zinc/17/43/68/1021174368.db2.gz QDMKVBAQYGJHOV-QMMMGPOBSA-N -1 0 310.314 -0.484 20 0 DBADRM C[C@H](C(=O)NC1COC(C)(C)OC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588980038 1021175548 /nfs/dbraw/zinc/17/55/48/1021175548.db2.gz SKCIMZHXVHMAOE-SSDOTTSWSA-N -1 0 322.329 -0.713 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC001588993307 1021175730 /nfs/dbraw/zinc/17/57/30/1021175730.db2.gz MXKYRCPYYSASLY-QMMMGPOBSA-N -1 0 318.293 -0.420 20 0 DBADRM C[C@H](C(=O)NCCn1cnc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001588996738 1021177566 /nfs/dbraw/zinc/17/75/66/1021177566.db2.gz ZZKHOKMBJXURES-QMMMGPOBSA-N -1 0 316.329 -0.888 20 0 DBADRM C[C@H](C(=O)NC[C@@H](O)C(F)(F)F)n1cnc(-c2nnn[n-]2)n1 ZINC001588996684 1021178305 /nfs/dbraw/zinc/17/83/05/1021178305.db2.gz YAAQLZVTBKAQBT-RFZPGFLSSA-N -1 0 320.235 -0.941 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001588996927 1021178885 /nfs/dbraw/zinc/17/88/85/1021178885.db2.gz OQYJWOWDDCKIIK-OPRDCNLKSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@H](C(=O)NCCn1cccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001588996402 1021179555 /nfs/dbraw/zinc/17/95/55/1021179555.db2.gz SEBSBJVUPBRGDH-MRVPVSSYSA-N -1 0 302.302 -0.968 20 0 DBADRM C[C@@H](C(=O)NCCn1cnc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001588996695 1021179587 /nfs/dbraw/zinc/17/95/87/1021179587.db2.gz YIIOOOOKXFURDK-YFKPBYRVSA-N -1 0 304.236 -0.227 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC001588993879 1021179808 /nfs/dbraw/zinc/17/98/08/1021179808.db2.gz VNXCHGYCMVWYLY-QMMMGPOBSA-N -1 0 319.317 -0.110 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC001588993331 1021180204 /nfs/dbraw/zinc/18/02/04/1021180204.db2.gz CYVWCQOMRNAECL-MRVPVSSYSA-N -1 0 307.306 -0.368 20 0 DBADRM C[C@H](C(=O)O[C@@H]1CCN(CCF)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001589028804 1021181904 /nfs/dbraw/zinc/18/19/04/1021181904.db2.gz YQLHUYZAXWQPQN-RKDXNWHRSA-N -1 0 324.320 -0.394 20 0 DBADRM C[C@@H](C(=O)OCC(=O)C1(C)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001589026318 1021182583 /nfs/dbraw/zinc/18/25/83/1021182583.db2.gz IRPYJAFOWCKYSA-ZETCQYMHSA-N -1 0 305.298 -0.068 20 0 DBADRM CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@](C)(CO)C(=O)[O-] ZINC001589024334 1021182911 /nfs/dbraw/zinc/18/29/11/1021182911.db2.gz KLLPFPLSLAKVHY-BBRMVZONSA-N -1 0 322.361 -0.272 20 0 DBADRM C[C@H](C(=O)O[C@@H]1CCCN(C)C1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001589027865 1021183200 /nfs/dbraw/zinc/18/32/00/1021183200.db2.gz QEXSIABFSKFOKE-HTQZYQBOSA-N -1 0 320.313 -0.817 20 0 DBADRM CC(=O)C[C@@H]1COCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC001589030255 1021183548 /nfs/dbraw/zinc/18/35/48/1021183548.db2.gz GQXOGBIVBMJLLG-SNVBAGLBSA-N -1 0 308.356 -0.682 20 0 DBADRM C[C@H](C(=O)OCC(=O)NCC1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001589025821 1021185559 /nfs/dbraw/zinc/18/55/59/1021185559.db2.gz FNTDSISAGITLEK-SSDOTTSWSA-N -1 0 320.313 -0.911 20 0 DBADRM CC(=O)N1C[C@H](C(=O)NC[C@H](O)CC(=O)[O-])Oc2ccccc21 ZINC001589056692 1021186169 /nfs/dbraw/zinc/18/61/69/1021186169.db2.gz NKFAZPBWIYTBAK-ZWNOBZJWSA-N -1 0 322.317 -0.248 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC001589061339 1021188046 /nfs/dbraw/zinc/18/80/46/1021188046.db2.gz YHIPWDPBQDNYKK-FZMZJTMJSA-N -1 0 308.338 -0.220 20 0 DBADRM CC(=O)N1CC[C@@H](CNS(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001589062639 1021188326 /nfs/dbraw/zinc/18/83/26/1021188326.db2.gz BLNNCHAPXQOEHZ-JTQLQIEISA-N -1 0 306.384 -0.115 20 0 DBADRM CC(=O)N1CC(C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001589055479 1021188406 /nfs/dbraw/zinc/18/84/06/1021188406.db2.gz CGKKUTQIESRUKR-LBPRGKRZSA-N -1 0 305.334 -0.081 20 0 DBADRM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001589062817 1021188913 /nfs/dbraw/zinc/18/89/13/1021188913.db2.gz GGHIPQMAFHDWFJ-LLVKDONJSA-N -1 0 318.395 -0.019 20 0 DBADRM CC(=O)N(C)Cc1cn([C@@H]2CCN(CCC(=O)[O-])C2=O)nn1 ZINC001589042392 1021189399 /nfs/dbraw/zinc/18/93/99/1021189399.db2.gz XWKHEHBKZUDQRX-LLVKDONJSA-N -1 0 309.326 -0.496 20 0 DBADRM CC(=O)CCCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001589035388 1021189411 /nfs/dbraw/zinc/18/94/11/1021189411.db2.gz RTRUZSOVVPMESD-SNVBAGLBSA-N -1 0 305.352 -0.154 20 0 DBADRM CC(=O)N1CCc2cc(C(=O)N3CC(O)(C(=O)[O-])C3)ccc21 ZINC001589087711 1021190601 /nfs/dbraw/zinc/19/06/01/1021190601.db2.gz MFAXDGDJTZGLEI-UHFFFAOYSA-N -1 0 304.302 -0.133 20 0 DBADRM CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)[C@H](C)C1 ZINC001589080035 1021190708 /nfs/dbraw/zinc/19/07/08/1021190708.db2.gz PBZKSRSGKCZPHC-SKDRFNHKSA-N -1 0 323.349 -0.645 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC001589081141 1021191454 /nfs/dbraw/zinc/19/14/54/1021191454.db2.gz OVTGARAHYMWJFP-UHFFFAOYSA-N -1 0 309.366 -0.478 20 0 DBADRM CC(=O)N1CCN(c2cc(C)nc3nc(C(=O)[O-])nn32)CC1 ZINC001589085523 1021191671 /nfs/dbraw/zinc/19/16/71/1021191671.db2.gz UFISACWERYPACK-UHFFFAOYSA-N -1 0 304.310 -0.201 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC/C=C\CNc1ncc(C(=O)[O-])cn1 ZINC001589105803 1021194272 /nfs/dbraw/zinc/19/42/72/1021194272.db2.gz PIZRCYBAIGSYSM-TYRPZCRBSA-N -1 0 321.337 -0.216 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC/C=C/CNc1ncc(C(=O)[O-])cn1 ZINC001589105800 1021195281 /nfs/dbraw/zinc/19/52/81/1021195281.db2.gz PIZRCYBAIGSYSM-NWALNABHSA-N -1 0 321.337 -0.216 20 0 DBADRM CC(C)(C)[C@H](O)C[C@@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001589096159 1021196048 /nfs/dbraw/zinc/19/60/48/1021196048.db2.gz PTOBCZACAHWEJB-DTWKUNHWSA-N -1 0 307.358 -0.352 20 0 DBADRM CC(C)(C)CS(=O)(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589130861 1021198342 /nfs/dbraw/zinc/19/83/42/1021198342.db2.gz OVYQBZUYOSLDJI-UHFFFAOYSA-N -1 0 314.375 -0.576 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001589137707 1021199020 /nfs/dbraw/zinc/19/90/20/1021199020.db2.gz OWWNSQJJXUVLTG-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001589139786 1021199042 /nfs/dbraw/zinc/19/90/42/1021199042.db2.gz GYCDPIVNDHGTIL-UHFFFAOYSA-N -1 0 313.335 -0.054 20 0 DBADRM CC(C)(C)OC(=O)C(=O)Cn1cc(-c2nnn[n-]2)ccc1=O ZINC001589141758 1021199158 /nfs/dbraw/zinc/19/91/58/1021199158.db2.gz QZMKUYPNIYXVPS-UHFFFAOYSA-N -1 0 305.294 -0.061 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001589139871 1021199794 /nfs/dbraw/zinc/19/97/94/1021199794.db2.gz LUVBORDWOWODJT-UHFFFAOYSA-N -1 0 323.305 -0.659 20 0 DBADRM CC(=O)N[C@@H](C(=O)NCCC(=O)NCCC(=O)[O-])C(C)C ZINC001589152639 1021200980 /nfs/dbraw/zinc/20/09/80/1021200980.db2.gz GSXHSRQVFWPTLB-GFCCVEGCSA-N -1 0 301.343 -0.756 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)Cc1cn(C(C)C)nn1)C(=O)[O-] ZINC001589156758 1021202052 /nfs/dbraw/zinc/20/20/52/1021202052.db2.gz WGBPEBDKYCWOEU-JTQLQIEISA-N -1 0 318.355 -0.637 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001589228386 1021202271 /nfs/dbraw/zinc/20/22/71/1021202271.db2.gz GEYXRHYRBMCEQX-SSDOTTSWSA-N -1 0 303.283 -0.033 20 0 DBADRM CC(=O)N[C@H](CC1CCC1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001589165232 1021203549 /nfs/dbraw/zinc/20/35/49/1021203549.db2.gz AHDJIOHMEUOTHL-LLVKDONJSA-N -1 0 323.353 -0.213 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)Cc1cc2n(n1)CCC2)C(=O)[O-] ZINC001589156408 1021205147 /nfs/dbraw/zinc/20/51/47/1021205147.db2.gz SDKXPULRJABVMS-NSHDSACASA-N -1 0 315.351 -0.667 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001589229405 1021205413 /nfs/dbraw/zinc/20/54/13/1021205413.db2.gz RUZOSWUSAQLQAD-UWVGGRQHSA-N -1 0 309.340 -0.821 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)Cc1ncnn1C(C)(C)C)C(=O)[O-] ZINC001589157984 1021205499 /nfs/dbraw/zinc/20/54/99/1021205499.db2.gz ZJDCWZZIQJNIFU-JLTPVHFHSA-N -1 0 316.383 -0.129 20 0 DBADRM CC(=O)c1cn(CC(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])nn1 ZINC001589318628 1021207093 /nfs/dbraw/zinc/20/70/93/1021207093.db2.gz MCEFLHLCEGLACL-NSHDSACASA-N -1 0 324.337 -0.133 20 0 DBADRM CC(=O)c1cn(CC(=O)N[C@H](C(=O)[O-])c2cccnc2)nn1 ZINC001589319103 1021210320 /nfs/dbraw/zinc/21/03/20/1021210320.db2.gz YTVIZTZZAXOBFL-LBPRGKRZSA-N -1 0 303.278 -0.182 20 0 DBADRM C[C@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)[C@H]1CCC(=O)N1 ZINC001589345822 1021212739 /nfs/dbraw/zinc/21/27/39/1021212739.db2.gz GXNXQRRWHGZAJT-IONNQARKSA-N -1 0 307.310 -0.726 20 0 DBADRM C[C@H](C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)N1CCSCC1 ZINC001589346945 1021214661 /nfs/dbraw/zinc/21/46/61/1021214661.db2.gz YZJPDIFCPUGODS-GMTAPVOTSA-N -1 0 302.396 -0.282 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)n1cc(C(=O)N(C)C)nn1 ZINC001589352307 1021214961 /nfs/dbraw/zinc/21/49/61/1021214961.db2.gz JLORKOMSXCJCSC-VIFPVBQESA-N -1 0 323.353 -0.136 20 0 DBADRM C[C@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])c1cncnc1 ZINC001589341757 1021215100 /nfs/dbraw/zinc/21/51/00/1021215100.db2.gz AUDXUWYTEZRTDC-LBPRGKRZSA-N -1 0 322.365 -0.175 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NCc1nc(C(=O)[O-])co1 ZINC001589336574 1021216955 /nfs/dbraw/zinc/21/69/55/1021216955.db2.gz JWDBCSZBBZUSOB-LURJTMIESA-N -1 0 305.312 -0.731 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001589338055 1021217056 /nfs/dbraw/zinc/21/70/56/1021217056.db2.gz YLHLVNZWMFFZRI-KXUCPTDWSA-N -1 0 306.384 -0.022 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001589338089 1021217557 /nfs/dbraw/zinc/21/75/57/1021217557.db2.gz ZSMKUQDYTVFDHY-WCBMZHEXSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-])N1CCSCC1 ZINC001589357327 1021219610 /nfs/dbraw/zinc/21/96/10/1021219610.db2.gz YQHRLICGTOCCNE-MXWKQRLJSA-N -1 0 302.396 -0.140 20 0 DBADRM C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)N1CCNCC1=O ZINC001589378563 1021220225 /nfs/dbraw/zinc/22/02/25/1021220225.db2.gz NHVJAWFFAAYNBA-BDJLRTHQSA-N -1 0 319.361 -0.077 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)N1CCNCC1=O ZINC001589357161 1021220275 /nfs/dbraw/zinc/22/02/75/1021220275.db2.gz WEJBRFYDOBIMNX-NWDGAFQWSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@](O)(C(=O)[O-])C1 ZINC001589373125 1021221959 /nfs/dbraw/zinc/22/19/59/1021221959.db2.gz BCZKUTVDQSXWLT-ISVAXAHUSA-N -1 0 301.343 -0.479 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-])N1CCSCC1 ZINC001589357329 1021222351 /nfs/dbraw/zinc/22/23/51/1021222351.db2.gz YQHRLICGTOCCNE-VWYCJHECSA-N -1 0 302.396 -0.140 20 0 DBADRM C[C@@H](C(=O)N1CCN(CC(=O)[O-])CC1)[C@H](C)S(C)(=O)=O ZINC001589360142 1021222641 /nfs/dbraw/zinc/22/26/41/1021222641.db2.gz HJGIQLFISKEHEO-ZJUUUORDSA-N -1 0 306.384 -0.716 20 0 DBADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccccn1)N1CCN(C)CC1 ZINC001589378982 1021222790 /nfs/dbraw/zinc/22/27/90/1021222790.db2.gz XAYKSCWVRCHJOC-AAEUAGOBSA-N -1 0 306.366 -0.041 20 0 DBADRM C[C@H](C(=O)N1CCN(CC(=O)[O-])CC1)[C@H](C)S(C)(=O)=O ZINC001589360140 1021223138 /nfs/dbraw/zinc/22/31/38/1021223138.db2.gz HJGIQLFISKEHEO-UWVGGRQHSA-N -1 0 306.384 -0.716 20 0 DBADRM C[C@@H](C(=O)N1CCOC[C@H]1C(=O)[O-])n1cnc2c1ncnc2N ZINC001589360196 1021223352 /nfs/dbraw/zinc/22/33/52/1021223352.db2.gz IZSRKWUNRWTJKR-YUMQZZPRSA-N -1 0 320.309 -0.719 20 0 DBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccn1)N1CCN(C)CC1 ZINC001589378987 1021224430 /nfs/dbraw/zinc/22/44/30/1021224430.db2.gz XAYKSCWVRCHJOC-YPMHNXCESA-N -1 0 306.366 -0.041 20 0 DBADRM C[C@H](C(=O)NC(C)(C)C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001589378245 1021225054 /nfs/dbraw/zinc/22/50/54/1021225054.db2.gz FWPBDOBVIPDHEN-MRVPVSSYSA-N -1 0 307.368 -0.052 20 0 DBADRM C[C@H](C(=O)N1CCSC[C@H](C(=O)[O-])C1)N1CCN(C)CC1 ZINC001589365545 1021225769 /nfs/dbraw/zinc/22/57/69/1021225769.db2.gz VNOOKQBEFAOODZ-VXGBXAGGSA-N -1 0 315.439 -0.102 20 0 DBADRM C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001589375391 1021226272 /nfs/dbraw/zinc/22/62/72/1021226272.db2.gz UKFNDVYGAJNAPJ-BBBLOLIVSA-N -1 0 315.370 -0.233 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C(=O)[O-] ZINC001589393835 1021228718 /nfs/dbraw/zinc/22/87/18/1021228718.db2.gz WOULMSKNASVZSX-BDAKNGLRSA-N -1 0 309.322 -0.733 20 0 DBADRM CC(C)C(=O)NCC1(CCNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001512629301 1021229711 /nfs/dbraw/zinc/22/97/11/1021229711.db2.gz GQKGHSICEZGOCD-UHFFFAOYSA-N -1 0 323.353 -0.045 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC(CS(C)(=O)=O)CC1 ZINC001589397976 1021230444 /nfs/dbraw/zinc/23/04/44/1021230444.db2.gz XUIBMWOPMBCDGA-VIFPVBQESA-N -1 0 306.384 -0.668 20 0 DBADRM C[C@H](C(=O)N[C@@H](CC1CCOCC1)C(=O)[O-])S(C)(=O)=O ZINC001589385396 1021230850 /nfs/dbraw/zinc/23/08/50/1021230850.db2.gz DYJBZBBKBALRRY-SCZZXKLOSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)CC(=O)N1C ZINC001589392040 1021232470 /nfs/dbraw/zinc/23/24/70/1021232470.db2.gz HIYCSYNYNKDKRH-SECBINFHSA-N -1 0 307.306 -0.764 20 0 DBADRM C[C@H](C(=O)N[C@@](C)(CO)C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC001589381043 1021234074 /nfs/dbraw/zinc/23/40/74/1021234074.db2.gz LMZVACPWEMDVDM-OTYXRUKQSA-N -1 0 319.321 -0.147 20 0 DBADRM C[C@H](C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)N1CCN(C)CC1 ZINC001589414144 1021234881 /nfs/dbraw/zinc/23/48/81/1021234881.db2.gz ZQQIBDUORYYOAU-UTLUCORTSA-N -1 0 305.325 -0.296 20 0 DBADRM C[C@@H](C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C1CCC1 ZINC001589404448 1021235843 /nfs/dbraw/zinc/23/58/43/1021235843.db2.gz PDIMKEKKUZXHEU-KOLCDFICSA-N -1 0 322.365 -0.078 20 0 DBADRM C[C@H](C(=O)NCCNc1ccnc(C(=O)[O-])n1)[C@@H]1CCC(=O)N1 ZINC001589409791 1021235983 /nfs/dbraw/zinc/23/59/83/1021235983.db2.gz IYRXXBLFKYGMGM-IUCAKERBSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@H](C(=O)NCCNc1ncc(C(=O)[O-])cn1)S(C)(=O)=O ZINC001589410219 1021239175 /nfs/dbraw/zinc/23/91/75/1021239175.db2.gz XVXLZYQOUNNVOD-SSDOTTSWSA-N -1 0 316.339 -0.864 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(c2ccnc(F)c2)CC1 ZINC001589400633 1021239364 /nfs/dbraw/zinc/23/93/64/1021239364.db2.gz OJLVUKCWYHPOHF-SNVBAGLBSA-N -1 0 310.329 -0.068 20 0 DBADRM C[C@@H](C(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-])S(C)(=O)=O ZINC001589403358 1021239535 /nfs/dbraw/zinc/23/95/35/1021239535.db2.gz HFJPIIKLDLWDLT-GXSJLCMTSA-N -1 0 314.363 -0.126 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[C@H](C)S(C)(=O)=O ZINC001589413951 1021239962 /nfs/dbraw/zinc/23/99/62/1021239962.db2.gz SHCWAGNROFNWFW-UTINFBMNSA-N -1 0 307.368 -0.339 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1C[C@H]1C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001589413757 1021240709 /nfs/dbraw/zinc/24/07/09/1021240709.db2.gz MDIGXYMPBRLKOG-IQJOONFLSA-N -1 0 319.379 -0.194 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H](C)n1cccn1 ZINC001589423912 1021243611 /nfs/dbraw/zinc/24/36/11/1021243611.db2.gz XJNDBFVSSIVBQG-ZJUUUORDSA-N -1 0 318.337 -0.029 20 0 DBADRM CC(C)[C@@H](O)CCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589476173 1021244970 /nfs/dbraw/zinc/24/49/70/1021244970.db2.gz NAEVVJKZJJNLKG-BDAKNGLRSA-N -1 0 308.346 -0.458 20 0 DBADRM CC(C)[C@](C)(O)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001589427784 1021245656 /nfs/dbraw/zinc/24/56/56/1021245656.db2.gz BWEOCJOYZWXNHQ-GFCCVEGCSA-N -1 0 309.330 -0.515 20 0 DBADRM CC(C)[C@H](O)CCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589476174 1021245838 /nfs/dbraw/zinc/24/58/38/1021245838.db2.gz NAEVVJKZJJNLKG-DTWKUNHWSA-N -1 0 308.346 -0.458 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001589459468 1021246271 /nfs/dbraw/zinc/24/62/71/1021246271.db2.gz DDNGWYIERBVQKD-NEPJUHHUSA-N -1 0 321.337 -0.035 20 0 DBADRM CC(C)(C)C(=O)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001589684511 1021277784 /nfs/dbraw/zinc/27/77/84/1021277784.db2.gz GZLYTLVTGGADJV-MRVPVSSYSA-N -1 0 305.352 -0.298 20 0 DBADRM C[C@@H](C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1)N1CCNCC1=O ZINC001589431080 1021247923 /nfs/dbraw/zinc/24/79/23/1021247923.db2.gz WMYKVNLRLIHRCJ-PGUXBMHVSA-N -1 0 311.382 -0.044 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)c1cnn(C[C@@H](O)CO)c1)C1CCC1 ZINC001589478211 1021252003 /nfs/dbraw/zinc/25/20/03/1021252003.db2.gz IEYZMFMSCHATQP-JOYOIKCWSA-N -1 0 311.338 -0.296 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)c1nc(N)nc(N(C)C)n1)C1CCC1 ZINC001589479172 1021252526 /nfs/dbraw/zinc/25/25/26/1021252526.db2.gz QVQQLEDZLXKRTC-ZETCQYMHSA-N -1 0 308.342 -0.012 20 0 DBADRM C[C@H](C(=O)[O-])N(C1CCC1)S(=O)(=O)CCS(C)(=O)=O ZINC001589478874 1021253884 /nfs/dbraw/zinc/25/38/84/1021253884.db2.gz KXYQEAPQYIHRSW-MRVPVSSYSA-N -1 0 313.397 -0.312 20 0 DBADRM CC(C)[C@H](OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(N)=O ZINC001589479629 1021255521 /nfs/dbraw/zinc/25/55/21/1021255521.db2.gz GYCPCQVVQYRNEI-BQBZGAKWSA-N -1 0 308.302 -0.928 20 0 DBADRM CC(C)C[C@H](CO)N(C)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589563300 1021259796 /nfs/dbraw/zinc/25/97/96/1021259796.db2.gz YIZMVMNFALDYSR-NXEZZACHSA-N -1 0 322.373 -0.115 20 0 DBADRM C[C@H](C(=O)OCc1cnc(C(=O)[O-])cn1)N1C(=O)CCC1=O ZINC001589547829 1021259870 /nfs/dbraw/zinc/25/98/70/1021259870.db2.gz SZBVCCLLNQTADF-SSDOTTSWSA-N -1 0 307.262 -0.245 20 0 DBADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001589612346 1021261137 /nfs/dbraw/zinc/26/11/37/1021261137.db2.gz XXZWMBCLOKGVTJ-VIFPVBQESA-N -1 0 323.353 -0.274 20 0 DBADRM CC(C)[C@@H]1C[C@@H]1C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001589501381 1021262058 /nfs/dbraw/zinc/26/20/58/1021262058.db2.gz FMNJSIKVIXMWJV-UWVGGRQHSA-N -1 0 316.369 -0.101 20 0 DBADRM CC(C)CS(=O)(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589651601 1021265642 /nfs/dbraw/zinc/26/56/42/1021265642.db2.gz YUBDAYVVHBPLGC-UHFFFAOYSA-N -1 0 300.348 -0.966 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)N2CCC[C@@H](O)C2)cn1 ZINC001589660799 1021270931 /nfs/dbraw/zinc/27/09/31/1021270931.db2.gz QIIQWFAYZGYBIX-SNVBAGLBSA-N -1 0 324.337 -0.375 20 0 DBADRM CC(C)(C(N)=O)C(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CC1 ZINC001589682334 1021280690 /nfs/dbraw/zinc/28/06/90/1021280690.db2.gz VNGQZCFEHNEQOE-UHFFFAOYSA-N -1 0 321.337 -0.253 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001589686802 1021282197 /nfs/dbraw/zinc/28/21/97/1021282197.db2.gz BQTTUWUWVQWJDJ-JTQLQIEISA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC001589682206 1021282879 /nfs/dbraw/zinc/28/28/79/1021282879.db2.gz QCMBDLYKWPHZRY-UHFFFAOYSA-N -1 0 320.349 -0.199 20 0 DBADRM CC(C)N1C(=O)C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1=O ZINC001589709656 1021286486 /nfs/dbraw/zinc/28/64/86/1021286486.db2.gz RSVZASLPURXSGD-ZETCQYMHSA-N -1 0 302.298 -0.974 20 0 DBADRM CC(C)(C)[C@H](O)C[C@@H](CO)NCc1cn(CC(=O)[O-])nn1 ZINC001589722642 1021288848 /nfs/dbraw/zinc/28/88/48/1021288848.db2.gz LUNCWHNRCSHAHQ-GXSJLCMTSA-N -1 0 300.359 -0.390 20 0 DBADRM CC(C)NC(=O)CN(C)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001589720033 1021290768 /nfs/dbraw/zinc/29/07/68/1021290768.db2.gz QIOVDPVEBFLDGV-UHFFFAOYSA-N -1 0 305.342 -0.558 20 0 DBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001589718207 1021292242 /nfs/dbraw/zinc/29/22/42/1021292242.db2.gz ZYPBGSCRXABJIT-NXEZZACHSA-N -1 0 315.370 -0.247 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001589718498 1021292700 /nfs/dbraw/zinc/29/27/00/1021292700.db2.gz ODTWYFNTDOPRFC-VIFPVBQESA-N -1 0 315.351 -0.042 20 0 DBADRM CC(C)(C)[C@@H]1CNC(=O)CN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001589735860 1021298074 /nfs/dbraw/zinc/29/80/74/1021298074.db2.gz YANYQFMDZDPUEJ-JTQLQIEISA-N -1 0 308.338 -0.046 20 0 DBADRM CC(C)[C@H](CO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589763803 1021303230 /nfs/dbraw/zinc/30/32/30/1021303230.db2.gz AGYHWQVGWNQFCO-ZETCQYMHSA-N -1 0 301.328 -0.245 20 0 DBADRM CC(C)SCn1c(=O)c(-c2nnn[n-]2)cn(CCO)c1=O ZINC001589762183 1021304066 /nfs/dbraw/zinc/30/40/66/1021304066.db2.gz DAESAAMXYBVAAG-UHFFFAOYSA-N -1 0 312.355 -0.719 20 0 DBADRM C[C@H](CN(C)C(=O)C1CC1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001589837206 1021314214 /nfs/dbraw/zinc/31/42/14/1021314214.db2.gz WIAGLLSAEIESQZ-MRVPVSSYSA-N -1 0 302.342 -0.253 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001589834681 1021314418 /nfs/dbraw/zinc/31/44/18/1021314418.db2.gz LRPBHMVBLVMFRW-WCBMZHEXSA-N -1 0 322.383 -0.859 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001589834090 1021316973 /nfs/dbraw/zinc/31/69/73/1021316973.db2.gz AVBIWGDYTXEOOQ-VIFPVBQESA-N -1 0 322.383 -0.594 20 0 DBADRM CC(C)(C)OC(=O)[C@]1(C(=O)NC[C@H](O)C(=O)[O-])CCCO1 ZINC001589848279 1021318218 /nfs/dbraw/zinc/31/82/18/1021318218.db2.gz KDKJBHBYBZNFPL-ISVAXAHUSA-N -1 0 303.311 -0.561 20 0 DBADRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)[C@H]1CCC(=O)N1 ZINC001589877373 1021324213 /nfs/dbraw/zinc/32/42/13/1021324213.db2.gz CNRWVYQGTXAUJD-SECBINFHSA-N -1 0 314.338 -0.090 20 0 DBADRM C[C@@H](CO)CCCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001589886748 1021329544 /nfs/dbraw/zinc/32/95/44/1021329544.db2.gz JYXCCXRVIBKTIP-SSDOTTSWSA-N -1 0 309.330 -0.514 20 0 DBADRM C[C@H](Cn1cncn1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589903607 1021330491 /nfs/dbraw/zinc/33/04/91/1021330491.db2.gz GKPIIPFCGCABJM-SSDOTTSWSA-N -1 0 324.326 -0.582 20 0 DBADRM CC(C)(C)OC(=O)CS(=O)(=O)CCn1cnc(C(=O)[O-])n1 ZINC001589898925 1021331289 /nfs/dbraw/zinc/33/12/89/1021331289.db2.gz WUJTYIXODWATOL-UHFFFAOYSA-N -1 0 319.339 -0.267 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001589917229 1021335785 /nfs/dbraw/zinc/33/57/85/1021335785.db2.gz CWHYWQHZQGKBKP-HTQZYQBOSA-N -1 0 316.329 -0.370 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001589917231 1021340102 /nfs/dbraw/zinc/34/01/02/1021340102.db2.gz CWHYWQHZQGKBKP-SFYZADRCSA-N -1 0 316.329 -0.370 20 0 DBADRM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001589917232 1021341595 /nfs/dbraw/zinc/34/15/95/1021341595.db2.gz CWHYWQHZQGKBKP-YUMQZZPRSA-N -1 0 316.329 -0.370 20 0 DBADRM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)c1cn[nH]c1 ZINC001589978055 1021347794 /nfs/dbraw/zinc/34/77/94/1021347794.db2.gz HCVQHBHVHWIFRI-RXMQYKEDSA-N -1 0 303.286 -0.438 20 0 DBADRM C[C@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)C1(CO)CC1 ZINC001589977564 1021348145 /nfs/dbraw/zinc/34/81/45/1021348145.db2.gz XHKUJAGTMMXYQK-QMMMGPOBSA-N -1 0 324.366 -0.299 20 0 DBADRM C[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)C(=O)NCC(F)(F)F ZINC001589986176 1021349011 /nfs/dbraw/zinc/34/90/11/1021349011.db2.gz ZIKSBRMZGAWJDH-RXMQYKEDSA-N -1 0 316.247 -0.443 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001589995169 1021351565 /nfs/dbraw/zinc/35/15/65/1021351565.db2.gz LDSVCVBGENLOJC-HTQZYQBOSA-N -1 0 313.339 -0.149 20 0 DBADRM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)N1CCOCC1 ZINC001590009962 1021378351 /nfs/dbraw/zinc/37/83/51/1021378351.db2.gz LGSXFZPWLLFZHO-MRVPVSSYSA-N -1 0 321.293 -0.136 20 0 DBADRM CC1(C)CN(C(=O)Cn2ccc(-c3nnn[n-]3)cc2=O)CCO1 ZINC001590103082 1021379597 /nfs/dbraw/zinc/37/95/97/1021379597.db2.gz WXYCUZSXTZZGCG-UHFFFAOYSA-N -1 0 318.337 -0.334 20 0 DBADRM CC1(C)CCN(C(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001590097299 1021382356 /nfs/dbraw/zinc/38/23/56/1021382356.db2.gz RQBNAWFMTVKXSD-UHFFFAOYSA-N -1 0 319.325 -0.613 20 0 DBADRM C[C@]1(CO)CCCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001590137443 1021388280 /nfs/dbraw/zinc/38/82/80/1021388280.db2.gz YYSIKILVYNLECS-GFCCVEGCSA-N -1 0 324.366 -0.203 20 0 DBADRM CC1(CNS(=O)(=O)c2cccnc2-c2nnn[n-]2)COC1 ZINC001590134058 1021389658 /nfs/dbraw/zinc/38/96/58/1021389658.db2.gz MAIVMJLHUHWJTJ-UHFFFAOYSA-N -1 0 310.339 -0.424 20 0 DBADRM C[C@]1(C2CC2)CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001590121784 1021392568 /nfs/dbraw/zinc/39/25/68/1021392568.db2.gz DMZHHMKSTJRPBP-CYBMUJFWSA-N -1 0 318.341 -0.514 20 0 DBADRM CC1=C[C@@H](C)CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001590158486 1021395676 /nfs/dbraw/zinc/39/56/76/1021395676.db2.gz ZKMBDZBEINTKJS-MRVPVSSYSA-N -1 0 317.353 -0.334 20 0 DBADRM CC(C)(C)OC(=O)NCCC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001590176876 1021406746 /nfs/dbraw/zinc/40/67/46/1021406746.db2.gz DKSIXFHVTFCEMH-CYBMUJFWSA-N -1 0 302.327 -0.051 20 0 DBADRM CC(C)(C)OC(=O)NCCOCC(=O)NCCOCC(=O)[O-] ZINC001590201660 1021418917 /nfs/dbraw/zinc/41/89/17/1021418917.db2.gz WPULOYUQHPIFAV-UHFFFAOYSA-N -1 0 320.342 -0.255 20 0 DBADRM CC(C)(C)OC(=O)NCC[C@H](O)Cn1nnc(CC(=O)[O-])n1 ZINC001590184155 1021419738 /nfs/dbraw/zinc/41/97/38/1021419738.db2.gz AUGFKWFNRORVOC-QMMMGPOBSA-N -1 0 315.330 -0.424 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001590202170 1021421521 /nfs/dbraw/zinc/42/15/21/1021421521.db2.gz WQCNBRBYARCFSC-AYMMMOKOSA-N -1 0 306.330 -0.470 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001590214056 1021428152 /nfs/dbraw/zinc/42/81/52/1021428152.db2.gz IQQJVCGNQYXWGB-SVRRBLITSA-N -1 0 317.309 -0.832 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590216089 1021428483 /nfs/dbraw/zinc/42/84/83/1021428483.db2.gz NVANSBDBUKHMSM-IMSYWVGJSA-N -1 0 314.353 -0.206 20 0 DBADRM C[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)CN1C(=O)C1CC1 ZINC001590207514 1021430618 /nfs/dbraw/zinc/43/06/18/1021430618.db2.gz GMVXDOJGICJNIV-WPRPVWTQSA-N -1 0 314.353 -0.110 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590216091 1021431423 /nfs/dbraw/zinc/43/14/23/1021431423.db2.gz NVANSBDBUKHMSM-QEYWKRMJSA-N -1 0 314.353 -0.206 20 0 DBADRM C[C@H]1CC[C@@H](CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)O1 ZINC001590229571 1021433524 /nfs/dbraw/zinc/43/35/24/1021433524.db2.gz IUXJMJINYBEKDN-BQBZGAKWSA-N -1 0 307.314 -0.355 20 0 DBADRM C[C@H](C(=O)N1CCO[C@@H](C)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001590263649 1021434244 /nfs/dbraw/zinc/43/42/44/1021434244.db2.gz OIIMTWUPDNMXJM-DTWKUNHWSA-N -1 0 306.330 -0.343 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H]1C[C@H](O)C1 ZINC001590246551 1021434564 /nfs/dbraw/zinc/43/45/64/1021434564.db2.gz LBQAZHHUKBPCAG-CIUDSAMLSA-N -1 0 302.327 -0.006 20 0 DBADRM C[C@H]1CCCCN1C(=O)Cn1cncc(-c2nnn[n-]2)c1=O ZINC001590261142 1021434715 /nfs/dbraw/zinc/43/47/15/1021434715.db2.gz QWNLSDWJPKBDMO-VIFPVBQESA-N -1 0 303.326 -0.176 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590234056 1021438382 /nfs/dbraw/zinc/43/83/82/1021438382.db2.gz QYSKDSKURCVIRH-BDAKNGLRSA-N -1 0 305.346 -0.054 20 0 DBADRM C[C@H]1CCCN(C(=O)Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)C1 ZINC001590260648 1021439004 /nfs/dbraw/zinc/43/90/04/1021439004.db2.gz HYCCEGWPHWFVKG-QMMMGPOBSA-N -1 0 319.325 -0.613 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC1(C(=O)[O-])CC1 ZINC001590274280 1021442661 /nfs/dbraw/zinc/44/26/61/1021442661.db2.gz CDPKRHHXYMOVMU-MRVPVSSYSA-N -1 0 302.327 -0.147 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ccc(-c3nnn[n-]3)cc2=O)C[C@@H](C)O1 ZINC001590290871 1021444155 /nfs/dbraw/zinc/44/41/55/1021444155.db2.gz FGDPECQAKKZUNR-NXEZZACHSA-N -1 0 318.337 -0.336 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001590334323 1021465592 /nfs/dbraw/zinc/46/55/92/1021465592.db2.gz JVMAPKVTUMMNBW-RCOVLWMOSA-N -1 0 304.266 -0.226 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001590334320 1021467032 /nfs/dbraw/zinc/46/70/32/1021467032.db2.gz JVMAPKVTUMMNBW-IMTBSYHQSA-N -1 0 304.266 -0.226 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590338053 1021468699 /nfs/dbraw/zinc/46/86/99/1021468699.db2.gz UETQNTTYSIDZFZ-AXTSPUMRSA-N -1 0 320.357 -0.366 20 0 DBADRM C[C@@H](C(=O)OC[C@@H]1CCO[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590337009 1021469408 /nfs/dbraw/zinc/46/94/08/1021469408.db2.gz LETCYJKOEMKCEA-CIUDSAMLSA-N -1 0 307.314 -0.013 20 0 DBADRM C[C@H](C(=O)N1CCO[C@@H](C)[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590338890 1021474796 /nfs/dbraw/zinc/47/47/96/1021474796.db2.gz VCTRMBNDXYSVTC-HLTSFMKQSA-N -1 0 306.330 -0.345 20 0 DBADRM C[C@@H]1SCC[C@H]1Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001590339749 1021475241 /nfs/dbraw/zinc/47/52/41/1021475241.db2.gz XWWSPTCPLJWMDT-NKWVEPMBSA-N -1 0 323.382 -0.430 20 0 DBADRM CCC(=O)NCCOCCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001590366488 1021477207 /nfs/dbraw/zinc/47/72/07/1021477207.db2.gz TVLMSIDFBSBAOI-UHFFFAOYSA-N -1 0 320.357 -0.577 20 0 DBADRM CC[C@](C)(CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)OC ZINC001590381041 1021478094 /nfs/dbraw/zinc/47/80/94/1021478094.db2.gz HJYGNBKJDQGUAK-GFCCVEGCSA-N -1 0 309.330 -0.107 20 0 DBADRM CCC(=O)NCC1CC(Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590364170 1021478860 /nfs/dbraw/zinc/47/88/60/1021478860.db2.gz DZKDKRKRWUKCSW-UHFFFAOYSA-N -1 0 302.342 -0.205 20 0 DBADRM CC[C@H](C)NC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590414535 1021487080 /nfs/dbraw/zinc/48/70/80/1021487080.db2.gz LFBFFCCZOFWHEM-ZETCQYMHSA-N -1 0 307.314 -0.566 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001590425411 1021487555 /nfs/dbraw/zinc/48/75/55/1021487555.db2.gz DXHIAMHMXGZAGT-GOSISDBHSA-N -1 0 314.385 -0.741 20 0 DBADRM CC(C)(C)O[C@H]1C[C@@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001590397906 1021488673 /nfs/dbraw/zinc/48/86/73/1021488673.db2.gz XVYGHYLGPZQDIR-YIZRAAEISA-N -1 0 304.318 -0.012 20 0 DBADRM CC[C@H](C)[C@H](NCCn1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC001590400831 1021489226 /nfs/dbraw/zinc/48/92/26/1021489226.db2.gz VBWOTQYSECUILD-IUCAKERBSA-N -1 0 308.346 -0.365 20 0 DBADRM CCC(CC)[C@H](O)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590432991 1021490101 /nfs/dbraw/zinc/49/01/01/1021490101.db2.gz UVZVNPWQTBFRBF-WCBMZHEXSA-N -1 0 322.373 -0.068 20 0 DBADRM CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)[C@@H](C)O ZINC001590468422 1021492891 /nfs/dbraw/zinc/49/28/91/1021492891.db2.gz FATSZIOBNKEKNC-RQJHMYQMSA-N -1 0 301.328 -0.103 20 0 DBADRM CC(C)(C)c1cc(C(=O)NCC[C@H](O)C(=O)[O-])nc2ncnn21 ZINC001590453857 1021495574 /nfs/dbraw/zinc/49/55/74/1021495574.db2.gz DQNQKWYERNAZDA-VIFPVBQESA-N -1 0 321.337 -0.013 20 0 DBADRM CC[C@@H]1CCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001590512744 1021503795 /nfs/dbraw/zinc/50/37/95/1021503795.db2.gz JZSGCHJHFULBQC-SECBINFHSA-N -1 0 319.369 -0.110 20 0 DBADRM CC[C@]1(C)CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001590490042 1021506926 /nfs/dbraw/zinc/50/69/26/1021506926.db2.gz PKIFBIPHNMRXTC-CYBMUJFWSA-N -1 0 305.342 -0.120 20 0 DBADRM CC[C@@H]1C(=O)NCCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001590501193 1021507230 /nfs/dbraw/zinc/50/72/30/1021507230.db2.gz XJJHDCRYVQXEOT-SNVBAGLBSA-N -1 0 303.326 -0.804 20 0 DBADRM CC[C@H]1[C@H](C)CCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001590502933 1021511151 /nfs/dbraw/zinc/51/11/51/1021511151.db2.gz UHUIQWAYVZIMDE-BDAKNGLRSA-N -1 0 319.369 -0.111 20 0 DBADRM CCC[C@@H](CCO)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590556771 1021513906 /nfs/dbraw/zinc/51/39/06/1021513906.db2.gz XLYNXXWMIQSDKO-IUCAKERBSA-N -1 0 308.346 -0.314 20 0 DBADRM CCCCC[C@H](O)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590590693 1021516455 /nfs/dbraw/zinc/51/64/55/1021516455.db2.gz STOKRSFHGOZKDL-VIFPVBQESA-N -1 0 308.346 -0.484 20 0 DBADRM C/C=C(/C)C(=O)N[C@H]1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001514899650 1021519517 /nfs/dbraw/zinc/51/95/17/1021519517.db2.gz NYJPBTMMSRDTTA-LIIPPBBTSA-N -1 0 323.353 -0.334 20 0 DBADRM CC/C=C(\F)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590531023 1021521187 /nfs/dbraw/zinc/52/11/87/1021521187.db2.gz BJUPRUBZVQUDKO-BAQGIRSFSA-N -1 0 323.288 -0.491 20 0 DBADRM CC(C)(C)n1cc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])cn1 ZINC001590593922 1021521656 /nfs/dbraw/zinc/52/16/56/1021521656.db2.gz WDJQULGRFUFXDY-VIFPVBQESA-N -1 0 312.326 -0.472 20 0 DBADRM CCCNC(=O)[C@@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590635633 1021524293 /nfs/dbraw/zinc/52/42/93/1021524293.db2.gz ZWDUVUSEPWDXAV-HTQZYQBOSA-N -1 0 321.345 -0.950 20 0 DBADRM CC(C)(C)n1[nH]cnc1=NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001590609566 1021525171 /nfs/dbraw/zinc/52/51/71/1021525171.db2.gz JSVKLYINMNHJQK-VIFPVBQESA-N -1 0 323.353 -0.283 20 0 DBADRM CCCN1C[C@@H](C(=O)Nc2c[nH]nc2-c2nnn[n-]2)CC1=O ZINC001590633099 1021525556 /nfs/dbraw/zinc/52/55/56/1021525556.db2.gz YNDPPNYVEZNZAN-ZETCQYMHSA-N -1 0 304.314 -0.213 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])n1 ZINC001590609231 1021525632 /nfs/dbraw/zinc/52/56/32/1021525632.db2.gz CUKNSRDKLXFVEU-SECBINFHSA-N -1 0 321.341 -0.494 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N2CCSC[C@@H]2C(=O)[O-])n1 ZINC001590609655 1021528029 /nfs/dbraw/zinc/52/80/29/1021528029.db2.gz ORKIRLPTQCJDFQ-MRVPVSSYSA-N -1 0 313.383 -0.001 20 0 DBADRM CCCCOCCn1c(=O)c(-c2nnn[n-]2)c(C)n(C)c1=O ZINC001590612846 1021529061 /nfs/dbraw/zinc/52/90/61/1021529061.db2.gz JHTKVLMTLYECTE-UHFFFAOYSA-N -1 0 308.342 -0.148 20 0 DBADRM CC(C)(C)n1nccc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001590605273 1021530436 /nfs/dbraw/zinc/53/04/36/1021530436.db2.gz VMSLUTPYAWXIOX-MRVPVSSYSA-N -1 0 312.326 -0.472 20 0 DBADRM CCCn1ccc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC001590664065 1021531753 /nfs/dbraw/zinc/53/17/53/1021531753.db2.gz LXEBDVIWLUJHGP-UHFFFAOYSA-N -1 0 315.341 -0.014 20 0 DBADRM CCCO[N-]C(=O)C(=O)Nc1cc(C)c(-c2nn[nH]n2)cn1 ZINC001590645294 1021533732 /nfs/dbraw/zinc/53/37/32/1021533732.db2.gz STCGKRFPPFVFKZ-UHFFFAOYSA-N -1 0 305.298 -0.034 20 0 DBADRM CCN(C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C1CCC1 ZINC001590670099 1021534894 /nfs/dbraw/zinc/53/48/94/1021534894.db2.gz LAYUUWPIOAYWNG-UHFFFAOYSA-N -1 0 319.325 -0.470 20 0 DBADRM CC(C)(CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)S(C)(=O)=O ZINC001590679381 1021539532 /nfs/dbraw/zinc/53/95/32/1021539532.db2.gz YMLQAWKOKSIMIO-BDAKNGLRSA-N -1 0 307.368 -0.052 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[nH]n2)[nH]c1C ZINC001590678659 1021544567 /nfs/dbraw/zinc/54/45/67/1021544567.db2.gz CHSJXLRLTKFEJK-UHFFFAOYSA-N -1 0 313.343 -0.570 20 0 DBADRM CC(C)(CNC(=O)C(=O)N1CCC(C)(O)CC1)CC(=O)[O-] ZINC001590703228 1021546643 /nfs/dbraw/zinc/54/66/43/1021546643.db2.gz XMEUYKCNJOMSLA-UHFFFAOYSA-N -1 0 300.355 -0.023 20 0 DBADRM CC(C)(CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O)CC(=O)[O-] ZINC001590703044 1021550344 /nfs/dbraw/zinc/55/03/44/1021550344.db2.gz UVBJUMIYOCAVEE-SYLNSOGPSA-N -1 0 316.379 -0.665 20 0 DBADRM CC(C)(CNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)C1=CCCC1 ZINC001590702315 1021551899 /nfs/dbraw/zinc/55/18/99/1021551899.db2.gz HEYFPDBEPVKNLC-UHFFFAOYSA-N -1 0 310.350 -0.103 20 0 DBADRM CC(C)(CNC(=O)NCCOCCS(C)(=O)=O)CC(=O)[O-] ZINC001590723187 1021554256 /nfs/dbraw/zinc/55/42/56/1021554256.db2.gz NJNUFSPXARMXKM-UHFFFAOYSA-N -1 0 324.399 -0.152 20 0 DBADRM CCN(Cc1cnn(C)c1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590721509 1021557250 /nfs/dbraw/zinc/55/72/50/1021557250.db2.gz OIFDBXWGGDFGNM-UHFFFAOYSA-N -1 0 316.329 -0.760 20 0 DBADRM CCOC(=O)[C@@H](C)OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590751177 1021568726 /nfs/dbraw/zinc/56/87/26/1021568726.db2.gz GEWRGBBPBVPTAG-RNFRBKRXSA-N -1 0 309.286 -0.486 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590753748 1021571919 /nfs/dbraw/zinc/57/19/19/1021571919.db2.gz YKFUYDGAYHIVSW-RNFRBKRXSA-N -1 0 308.302 -0.913 20 0 DBADRM CCOC(=O)CCCOC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590761787 1021574090 /nfs/dbraw/zinc/57/40/90/1021574090.db2.gz GKBPHILLGHWNRP-QMMMGPOBSA-N -1 0 323.313 -0.094 20 0 DBADRM CC(C)(CNS(N)(=O)=O)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001590774312 1021575515 /nfs/dbraw/zinc/57/55/15/1021575515.db2.gz PIOOEDOLVGYSSS-DTWKUNHWSA-N -1 0 321.399 -0.435 20 0 DBADRM CCOC(=O)C[C@@H](O)Cn1cc(C)cc(-c2nnn[n-]2)c1=O ZINC001590762276 1021576471 /nfs/dbraw/zinc/57/64/71/1021576471.db2.gz GXHVCEWFVYZETA-SECBINFHSA-N -1 0 307.310 -0.349 20 0 DBADRM CCOC(=O)/C=C\Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C)c1=O ZINC001590759465 1021578976 /nfs/dbraw/zinc/57/89/76/1021578976.db2.gz FVIHVWZAJVMUIU-WAYWQWQTSA-N -1 0 320.309 -0.845 20 0 DBADRM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590786122 1021581933 /nfs/dbraw/zinc/58/19/33/1021581933.db2.gz CHNCWULZXHANQS-HRDYMLBCSA-N -1 0 306.330 -0.755 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCO[C@H](CC(N)=O)C1)C(=O)[O-] ZINC001590798260 1021584642 /nfs/dbraw/zinc/58/46/42/1021584642.db2.gz PCDHQQXFTBXZEE-MRVPVSSYSA-N -1 0 308.356 -0.997 20 0 DBADRM CCOCCNC(=O)Cn1cc(C)cc(-c2nnn[n-]2)c1=O ZINC001590813349 1021590703 /nfs/dbraw/zinc/59/07/03/1021590703.db2.gz OSLRWFPNPWTXDQ-UHFFFAOYSA-N -1 0 306.326 -0.510 20 0 DBADRM CC(C)(CS(=O)(=O)NC[C@H]1CN(C2CC2)C(=O)O1)C(=O)[O-] ZINC001590802988 1021591297 /nfs/dbraw/zinc/59/12/97/1021591297.db2.gz GTXIRDHBYKBBTH-VIFPVBQESA-N -1 0 320.367 0.000 20 0 DBADRM CCO[C@H]1C[C@@H](NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001590823618 1021592668 /nfs/dbraw/zinc/59/26/68/1021592668.db2.gz YZAPOBKRVIAQJQ-HLTSFMKQSA-N -1 0 306.330 -0.297 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001590819427 1021593658 /nfs/dbraw/zinc/59/36/58/1021593658.db2.gz SPUQVKKZQGAVNU-LLVKDONJSA-N -1 0 320.309 -0.916 20 0 DBADRM CC(C)(NC(=O)CCNS(C)(=O)=O)c1nocc1C(=O)[O-] ZINC001590845018 1021595530 /nfs/dbraw/zinc/59/55/30/1021595530.db2.gz WNAFXXDOSFXJSG-UHFFFAOYSA-N -1 0 319.339 -0.337 20 0 DBADRM CC(C)(F)CNC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001590833871 1021595671 /nfs/dbraw/zinc/59/56/71/1021595671.db2.gz QIZSHDWDXMXJOW-SECBINFHSA-N -1 0 304.318 -0.465 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC001590818470 1021596893 /nfs/dbraw/zinc/59/68/93/1021596893.db2.gz AZWWPSKPVDEDOK-UHFFFAOYSA-N -1 0 308.273 -0.197 20 0 DBADRM CCc1c[nH]c(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC001590875526 1021598249 /nfs/dbraw/zinc/59/82/49/1021598249.db2.gz JTODSVZMSRGYCX-UHFFFAOYSA-N -1 0 302.302 -0.940 20 0 DBADRM CC[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC001590868154 1021602800 /nfs/dbraw/zinc/60/28/00/1021602800.db2.gz UCESDPARHIOEOG-BQBZGAKWSA-N -1 0 308.302 -0.913 20 0 DBADRM CC(C)(O)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001590893080 1021603947 /nfs/dbraw/zinc/60/39/47/1021603947.db2.gz CWFUPVKDFJUKJG-VLEAKVRGSA-N -1 0 312.366 -0.121 20 0 DBADRM CC(C)(O)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001590893737 1021605491 /nfs/dbraw/zinc/60/54/91/1021605491.db2.gz PGRUWQCJEZBPLA-GWOFURMSSA-N -1 0 312.366 -0.121 20 0 DBADRM CC(C)(O)[C@H](O)C(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001590882426 1021606142 /nfs/dbraw/zinc/60/61/42/1021606142.db2.gz DHVGWBXXCHYRKO-NWDGAFQWSA-N -1 0 309.318 -0.005 20 0 DBADRM CC(C)(O)[C@@H](O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001590888695 1021606167 /nfs/dbraw/zinc/60/61/67/1021606167.db2.gz LJSGUZHEDWZEOM-LBPRGKRZSA-N -1 0 324.333 -0.039 20 0 DBADRM CCc1ccnc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c1 ZINC001590900085 1021606358 /nfs/dbraw/zinc/60/63/58/1021606358.db2.gz MQYKPEWNJXNABF-UHFFFAOYSA-N -1 0 313.325 -0.154 20 0 DBADRM CCc1cc(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)on1 ZINC001590882144 1021607249 /nfs/dbraw/zinc/60/72/49/1021607249.db2.gz WHJDIYISTUFYKP-SSDOTTSWSA-N -1 0 317.313 -0.114 20 0 DBADRM CCc1nn(C[C@H]2CNC(=O)O2)c(=O)c(-c2nnn[n-]2)c1CC ZINC001590929793 1021609606 /nfs/dbraw/zinc/60/96/06/1021609606.db2.gz VVSQOCJDFCSPSQ-SSDOTTSWSA-N -1 0 319.325 -0.343 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001590933825 1021609715 /nfs/dbraw/zinc/60/97/15/1021609715.db2.gz XQNKGPONDUHBGI-SDDRHHMPSA-N -1 0 312.366 -0.073 20 0 DBADRM CCc1ncc(Cn2c(=O)c(-c3nnn[n-]3)c(C)n(C)c2=O)o1 ZINC001590925370 1021610324 /nfs/dbraw/zinc/61/03/24/1021610324.db2.gz QNNHFFUPIMTINL-UHFFFAOYSA-N -1 0 317.309 -0.366 20 0 DBADRM CC(C)C(=O)N1CCN(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001590935806 1021611490 /nfs/dbraw/zinc/61/14/90/1021611490.db2.gz TWBZTAUUTWUSLB-VXGBXAGGSA-N -1 0 311.382 -0.377 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC001590935521 1021612228 /nfs/dbraw/zinc/61/22/28/1021612228.db2.gz MGJBFOAMFHJQEA-UHFFFAOYSA-N -1 0 308.338 -0.092 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2C[C@]23CCOC3)c1=O ZINC001590949904 1021614939 /nfs/dbraw/zinc/61/49/39/1021614939.db2.gz NCNDEPZDQVHLIS-XPTSAGLGSA-N -1 0 318.337 -0.363 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC2(C(=O)OC)CC2)c1=O ZINC001590949472 1021615264 /nfs/dbraw/zinc/61/52/64/1021615264.db2.gz GEOOTPIBEOQEIW-UHFFFAOYSA-N -1 0 320.309 -0.837 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001590938394 1021616052 /nfs/dbraw/zinc/61/60/52/1021616052.db2.gz DEXSJWVESBLGBJ-FXQIFTODSA-N -1 0 308.281 -0.798 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001590939238 1021616265 /nfs/dbraw/zinc/61/62/65/1021616265.db2.gz SBDLDFUVDLKJEF-NSHDSACASA-N -1 0 309.322 -0.471 20 0 DBADRM CC(C)C(=O)NCCN(C)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001590940109 1021616466 /nfs/dbraw/zinc/61/64/66/1021616466.db2.gz NLIQYWQMWGSXEK-UHFFFAOYSA-N -1 0 323.349 -0.223 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2C[C@@]23CCOC3)c1=O ZINC001590949902 1021617056 /nfs/dbraw/zinc/61/70/56/1021617056.db2.gz NCNDEPZDQVHLIS-LKFCYVNXSA-N -1 0 318.337 -0.363 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001590939233 1021617452 /nfs/dbraw/zinc/61/74/52/1021617452.db2.gz RPZYVBLPYGALQY-BHDSKKPTSA-N -1 0 300.355 -0.311 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCc2ccncc2)c1=O ZINC001590949480 1021617798 /nfs/dbraw/zinc/61/77/98/1021617798.db2.gz GJAKIBWVVPCERT-UHFFFAOYSA-N -1 0 313.321 -0.152 20 0 DBADRM CCn1ncc(Cn2nc(C)c(C)c(-c3nnn[n-]3)c2=O)n1 ZINC001590969270 1021619184 /nfs/dbraw/zinc/61/91/84/1021619184.db2.gz ZZTLZVHCKMTUNO-UHFFFAOYSA-N -1 0 301.314 -0.300 20 0 DBADRM CCn1ncc(-c2nn[nH]n2)c1[N-]S(=O)(=O)c1cnnn1C ZINC001590966248 1021621445 /nfs/dbraw/zinc/62/14/45/1021621445.db2.gz ZXYNBKFSJUJZFX-UHFFFAOYSA-N -1 0 324.330 -0.988 20 0 DBADRM CC(C)[C@@H](F)C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001590996984 1021626495 /nfs/dbraw/zinc/62/64/95/1021626495.db2.gz SSXFGNKIOQJPDF-PSASIEDQSA-N -1 0 314.317 -0.520 20 0 DBADRM CN(C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1nnn[n-]1 ZINC001590990180 1021628361 /nfs/dbraw/zinc/62/83/61/1021628361.db2.gz VPKHXHFLROBXLE-UHFFFAOYSA-N -1 0 307.224 -0.065 20 0 DBADRM CN(C)C(=O)Cc1nc(Cn2cc(-c3nnn[n-]3)nn2)cs1 ZINC001591003526 1021629077 /nfs/dbraw/zinc/62/90/77/1021629077.db2.gz BBCBBTNKAVENCK-UHFFFAOYSA-N -1 0 319.354 -0.406 20 0 DBADRM O=C(/C=C\CN1CCOCC1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001521937702 1021671043 /nfs/dbraw/zinc/67/10/43/1021671043.db2.gz IISHPZNQAUJYNY-LSYFEZSPSA-N -1 0 320.397 -0.131 20 0 DBADRM CO[C@H](C)C(=O)NCCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001522538276 1021764411 /nfs/dbraw/zinc/76/44/11/1021764411.db2.gz XZDHIZDBDBXWPQ-SSDOTTSWSA-N -1 0 308.294 -0.191 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)C[C@@H]2CCCC(=O)N2)c1[O-] ZINC001522583539 1021801390 /nfs/dbraw/zinc/80/13/90/1021801390.db2.gz BNTGOWAIUACUKB-VIFPVBQESA-N -1 0 323.353 -0.671 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)C[C@H]2CCC(=O)NC2)c1[O-] ZINC001522590004 1021803839 /nfs/dbraw/zinc/80/38/39/1021803839.db2.gz HXQUBQQUVYAZAY-SECBINFHSA-N -1 0 323.353 -0.814 20 0 DBADRM CCCC[C@@H](C)C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001522616157 1021815897 /nfs/dbraw/zinc/81/58/97/1021815897.db2.gz PRQJICJCAPSURY-MRVPVSSYSA-N -1 0 311.342 -0.045 20 0 DBADRM C[C@@H](C(=O)NCCNC(=O)c1cnc([O-])n(C)c1=O)C1CCC1 ZINC001522717437 1021849109 /nfs/dbraw/zinc/84/91/09/1021849109.db2.gz FUVSGLOLIAZOOM-SECBINFHSA-N -1 0 322.365 -0.232 20 0 DBADRM O=C(NCCCNC(=O)C(F)F)c1c[n-]n2c1nccc2=O ZINC001522816060 1021875308 /nfs/dbraw/zinc/87/53/08/1021875308.db2.gz UVRBMRKSCJPDMX-UHFFFAOYSA-N -1 0 313.264 -0.476 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)Cc2ccon2)c1[O-] ZINC001522863191 1021888811 /nfs/dbraw/zinc/88/88/11/1021888811.db2.gz HZZUSOMOXXKRCI-UHFFFAOYSA-N -1 0 307.310 -0.109 20 0 DBADRM C[C@@H](C(=O)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001522872390 1021893814 /nfs/dbraw/zinc/89/38/14/1021893814.db2.gz YBKAALCAIVUKDF-MRVPVSSYSA-N -1 0 311.342 -0.642 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001523342977 1022044438 /nfs/dbraw/zinc/04/44/38/1022044438.db2.gz JBDQRSDGWJQWNU-SFYZADRCSA-N -1 0 309.326 -0.483 20 0 DBADRM CCN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1CC1 ZINC001523914201 1022151576 /nfs/dbraw/zinc/15/15/76/1022151576.db2.gz AULXRHSPQZLBTH-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM C/C=C(/C)C(=O)NC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001526486817 1022508895 /nfs/dbraw/zinc/50/88/95/1022508895.db2.gz DJFHIUPFMJJCKC-RDOCRHDPSA-N -1 0 308.338 -0.313 20 0 DBADRM COC[C@H](NC(=O)c1cnn2cccc(OC)c12)c1nnn[n-]1 ZINC001558339676 1023957114 /nfs/dbraw/zinc/95/71/14/1023957114.db2.gz JROFCSIGWRZCTG-VIFPVBQESA-N -1 0 317.309 -0.027 20 0 DBADRM CON(C)C1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001558581604 1023965477 /nfs/dbraw/zinc/96/54/77/1023965477.db2.gz SIMAJGGCTGMGPY-UHFFFAOYSA-N -1 0 319.321 -0.416 20 0 DBADRM CN(C)c1ccc2nnc(CNS(=O)(=O)c3ncc[n-]3)n2n1 ZINC001561971839 1024016600 /nfs/dbraw/zinc/01/66/00/1024016600.db2.gz YNPVNYMDXUZZMJ-UHFFFAOYSA-N -1 0 322.354 -0.608 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccccc1-c1nnnn1C ZINC001563200058 1024023749 /nfs/dbraw/zinc/02/37/49/1024023749.db2.gz CPVGRVLQOHHOFG-UHFFFAOYSA-N -1 0 305.298 -0.324 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1cccc(CN2CCOCC2)n1 ZINC001563141683 1024024438 /nfs/dbraw/zinc/02/44/38/1024024438.db2.gz WGTAGUARQJFQJJ-UHFFFAOYSA-N -1 0 323.353 -0.287 20 0 DBADRM CCO[C@@H]1C[C@](CO)(NC(=O)NCC(=O)[N-]OC)C1(C)C ZINC001565420365 1024052604 /nfs/dbraw/zinc/05/26/04/1024052604.db2.gz BOTISYFMFZZVAQ-NOZJJQNGSA-N -1 0 303.359 -0.471 20 0 DBADRM O=C(c1ccn2nccc2n1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001565614236 1024060644 /nfs/dbraw/zinc/06/06/44/1024060644.db2.gz FSNYUXZFNRZPOR-SECBINFHSA-N -1 0 300.282 -0.544 20 0 DBADRM O=C(c1ccn2nccc2n1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001565614237 1024062366 /nfs/dbraw/zinc/06/23/66/1024062366.db2.gz FSNYUXZFNRZPOR-VIFPVBQESA-N -1 0 300.282 -0.544 20 0 DBADRM CC(C)C(=O)NCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001565629386 1024063050 /nfs/dbraw/zinc/06/30/50/1024063050.db2.gz XFQWIDKGIKJUDX-UHFFFAOYSA-N -1 0 317.353 -0.423 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCN(C)Cc2ncnn2C)c1[O-] ZINC001566445319 1024169288 /nfs/dbraw/zinc/16/92/88/1024169288.db2.gz XRGRTDDBBFUUFX-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001566981010 1024441627 /nfs/dbraw/zinc/44/16/27/1024441627.db2.gz XONBDBIPMZQVFW-ONGXEEELSA-N -1 0 322.239 -0.670 20 0 DBADRM COc1cc2[nH]cc(C(=O)[N-]OCC(N)=O)c(=O)c2c(OC)c1 ZINC001566980437 1024444866 /nfs/dbraw/zinc/44/48/66/1024444866.db2.gz CUOLRIOVMJBVTR-UHFFFAOYSA-N -1 0 321.289 -0.308 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001566981008 1024448844 /nfs/dbraw/zinc/44/88/44/1024448844.db2.gz XONBDBIPMZQVFW-KOLCDFICSA-N -1 0 322.239 -0.670 20 0 DBADRM CC(=O)NC(C)(C)C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1 ZINC001567087442 1024513179 /nfs/dbraw/zinc/51/31/79/1024513179.db2.gz DYBDIBIPXJVWEN-UHFFFAOYSA-N -1 0 315.351 -0.107 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NN1C(=O)c2ccccc2C1=O ZINC001567336526 1024634028 /nfs/dbraw/zinc/63/40/28/1024634028.db2.gz IKLMNMCUAYQOKE-UHFFFAOYSA-N -1 0 303.234 -0.983 20 0 DBADRM CCCn1nnnc1CNCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001567483190 1024724959 /nfs/dbraw/zinc/72/49/59/1024724959.db2.gz SLGNWWLPFPNCCY-UHFFFAOYSA-N -1 0 322.373 -0.318 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)[N-]OC[C@H]1CCOC1)c2=O ZINC001567749259 1024816673 /nfs/dbraw/zinc/81/66/73/1024816673.db2.gz VFVNELZJZAATCD-VIFPVBQESA-N -1 0 306.322 -0.030 20 0 DBADRM Cc1nn(C)cc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001568829145 1025034281 /nfs/dbraw/zinc/03/42/81/1025034281.db2.gz NTOMIOWGDPYKFV-ONEGZZNKSA-N -1 0 305.342 -0.372 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNCc2cnn(C)n2)c1[O-] ZINC001568837087 1025036992 /nfs/dbraw/zinc/03/69/92/1025036992.db2.gz WXADYKBEKPYXFY-ONEGZZNKSA-N -1 0 305.342 -0.372 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)c1cnc2n1CCC2 ZINC001568864395 1025053843 /nfs/dbraw/zinc/05/38/43/1025053843.db2.gz WXRIZTIMZBIGMM-UPHRSURJSA-N -1 0 317.353 -0.271 20 0 DBADRM C[C@@H](CN(C)Cc1nc(=O)c2sccc2[n-]1)NC(=O)C(N)=O ZINC001569135656 1025154431 /nfs/dbraw/zinc/15/44/31/1025154431.db2.gz CNCXZDCEDQGKLX-ZETCQYMHSA-N -1 0 323.378 -0.181 20 0 DBADRM Cn1ncc2c1CN(C(=O)c1cccc(-n3[n-]nnc3=N)c1)C2 ZINC001569378992 1025226186 /nfs/dbraw/zinc/22/61/86/1025226186.db2.gz JNMJDYYAGYXJPH-UHFFFAOYSA-N -1 0 310.321 -0.036 20 0 DBADRM Cn1nc(-c2cccnc2)cc1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC001569827442 1025373394 /nfs/dbraw/zinc/37/33/94/1025373394.db2.gz OKURCRQVSGYVIF-UHFFFAOYSA-N -1 0 301.266 -0.131 20 0 DBADRM CCCNC(=O)CCC(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001571076511 1025813602 /nfs/dbraw/zinc/81/36/02/1025813602.db2.gz DMTGXUNSMHZIIZ-VIFPVBQESA-N -1 0 302.327 -0.375 20 0 DBADRM CCc1nnc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])s1 ZINC001571071963 1025808468 /nfs/dbraw/zinc/80/84/68/1025808468.db2.gz FBNFWNXGBZPQTO-WDSKDSINSA-N -1 0 300.340 -0.192 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCC(=O)N2CCCO2)O1 ZINC001571069245 1025809413 /nfs/dbraw/zinc/80/94/13/1025809413.db2.gz IMCVACQQUUIXCK-VHSXEESVSA-N -1 0 300.311 -0.321 20 0 DBADRM O=C(C[C@@H]1CCC(=O)NC1)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001571070206 1025809643 /nfs/dbraw/zinc/80/96/43/1025809643.db2.gz WNWOORNKZBMMLT-IUCAKERBSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC2(CO)CCSCC2)nn1 ZINC001571072095 1025810042 /nfs/dbraw/zinc/81/00/42/1025810042.db2.gz LAEPMZVMYLWPNO-UHFFFAOYSA-N -1 0 300.340 -0.649 20 0 DBADRM Cn1ccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1=O ZINC001571072393 1025810401 /nfs/dbraw/zinc/81/04/01/1025810401.db2.gz WERDPMNETDQRJJ-JTQLQIEISA-N -1 0 300.336 -0.931 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@@H](CO)[C@H](CCO)C2)O[C@H]1C(=O)[O-] ZINC001571074043 1025811232 /nfs/dbraw/zinc/81/12/32/1025811232.db2.gz FGQLAMOYYQRNOH-RMPHRYRLSA-N -1 0 301.339 -0.686 20 0 DBADRM Cn1cc(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)cn1 ZINC001571074687 1025811441 /nfs/dbraw/zinc/81/14/41/1025811441.db2.gz NBSLJBNJDAHTQB-GZMMTYOYSA-N -1 0 301.324 -0.962 20 0 DBADRM CNC(=O)NCCC(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC001571074403 1025811593 /nfs/dbraw/zinc/81/15/93/1025811593.db2.gz JYGBIGUSAKEYJP-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001571074741 1025811678 /nfs/dbraw/zinc/81/16/78/1025811678.db2.gz QNEDHYKJKWSWED-MWODSPESSA-N -1 0 301.343 -0.479 20 0 DBADRM COCCn1cc(C(=O)N[C@]2(C(=O)[O-])CCSC2)nn1 ZINC001571072455 1025811838 /nfs/dbraw/zinc/81/18/38/1025811838.db2.gz YUBVORDDJPRJGP-LLVKDONJSA-N -1 0 300.340 -0.385 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cnc1N ZINC001571074965 1025811872 /nfs/dbraw/zinc/81/18/72/1025811872.db2.gz QVQSQKVRSJKECR-DTWKUNHWSA-N -1 0 301.324 -0.507 20 0 DBADRM CNC(=O)CCCN(C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571074400 1025811931 /nfs/dbraw/zinc/81/19/31/1025811931.db2.gz JTCFYHXYAZHCSG-MWLCHTKSSA-N -1 0 301.343 -0.356 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CC[C@H](O)[C@H](CO)C2)C1 ZINC001571074333 1025811954 /nfs/dbraw/zinc/81/19/54/1025811954.db2.gz GXEDVWSLDVLXDT-YFKTTZPYSA-N -1 0 301.339 -0.542 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001571077008 1025812438 /nfs/dbraw/zinc/81/24/38/1025812438.db2.gz RLXUJCVPCJJMEK-ZCFIWIBFSA-N -1 0 302.299 -0.508 20 0 DBADRM CC1=NO[C@H](CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC001571076687 1025812773 /nfs/dbraw/zinc/81/27/73/1025812773.db2.gz HICYPKRVAKSZTA-QMMMGPOBSA-N -1 0 302.312 -0.589 20 0 DBADRM CCN1C[C@@H](NS(=O)(=O)c2occc2C(=O)[O-])CC1=O ZINC001571077052 1025813215 /nfs/dbraw/zinc/81/32/15/1025813215.db2.gz SUGORIPVAWYWCW-ZETCQYMHSA-N -1 0 302.308 -0.123 20 0 DBADRM C[C@@H](C(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1)S(C)(=O)=O ZINC001571075255 1025813408 /nfs/dbraw/zinc/81/34/08/1025813408.db2.gz TZWKJGLCUFLFJW-LURJTMIESA-N -1 0 301.324 -0.533 20 0 DBADRM O=C([O-])c1ccc2c(n1)CN(C(=O)CCn1cnnn1)CC2 ZINC001571076397 1025813689 /nfs/dbraw/zinc/81/36/89/1025813689.db2.gz BPKGBAFMLFTZSD-UHFFFAOYSA-N -1 0 302.294 -0.259 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)cn1C ZINC001571079299 1025814325 /nfs/dbraw/zinc/81/43/25/1025814325.db2.gz DBDPTFVFPJKUKQ-CBAPKCEASA-N -1 0 303.340 -0.409 20 0 DBADRM CC[C@@](COC)(NC(=O)CC1SC(=N)NC1=O)C(=O)[O-] ZINC001571080147 1025814429 /nfs/dbraw/zinc/81/44/29/1025814429.db2.gz NAGDFNJSJDZCDJ-KBUNVGBDSA-N -1 0 303.340 -0.461 20 0 DBADRM COC(=O)[C@]1(F)CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1 ZINC001571079765 1025814634 /nfs/dbraw/zinc/81/46/34/1025814634.db2.gz IJFBBDWWIRTCBV-LHGDZMGGSA-N -1 0 303.286 -0.022 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(-n2ccnc2)nn1 ZINC001571080270 1025815410 /nfs/dbraw/zinc/81/54/10/1025815410.db2.gz TYSSCQOUZMALHF-SNVBAGLBSA-N -1 0 303.278 -0.412 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571079834 1025815436 /nfs/dbraw/zinc/81/54/36/1025815436.db2.gz JPKSVXKDUJZKFI-RKDXNWHRSA-N -1 0 303.340 -0.503 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CC[C@@H](C(=O)OC)O1 ZINC001571079425 1025815555 /nfs/dbraw/zinc/81/55/55/1025815555.db2.gz DUYOSOZQGJNOLL-VYUIOLGVSA-N -1 0 303.311 -0.297 20 0 DBADRM Cc1ncc(S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])n1C ZINC001571080495 1025816223 /nfs/dbraw/zinc/81/62/23/1025816223.db2.gz RSEQSBUFSJMTMN-PSASIEDQSA-N -1 0 303.340 -0.503 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N[C@](C)(CO)C(=O)[O-])cc1 ZINC001571084576 1025817062 /nfs/dbraw/zinc/81/70/62/1025817062.db2.gz LKUMIAPUIDPEDS-CYBMUJFWSA-N -1 0 305.294 -0.464 20 0 DBADRM COC(=O)[C@@](C)(O)CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001571080674 1025817451 /nfs/dbraw/zinc/81/74/51/1025817451.db2.gz VBXSZWORDQJNAS-RWEMILLDSA-N -1 0 303.311 -0.561 20 0 DBADRM CS(=O)(=O)Cc1nnc(C[NH2+][C@H]2CC[C@@H](C(=O)[O-])C2)[n-]1 ZINC001571080555 1025817655 /nfs/dbraw/zinc/81/76/55/1025817655.db2.gz XWXXDRGVBIOVGF-SFYZADRCSA-N -1 0 302.356 -0.308 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001571086012 1025820989 /nfs/dbraw/zinc/82/09/89/1025820989.db2.gz GCYYFXLEAMDZGC-AOOOYVTPSA-N -1 0 304.368 -0.376 20 0 DBADRM COc1ccc(CC(=O)N[C@H](Cn2cncn2)C(=O)[O-])nc1 ZINC001571085244 1025818453 /nfs/dbraw/zinc/81/84/53/1025818453.db2.gz XDWQYGYCYASOFG-LLVKDONJSA-N -1 0 305.294 -0.506 20 0 DBADRM Cc1nn(CC(=O)NCc2ccc(C(=O)[O-])nc2)c(=O)n1C ZINC001571084934 1025818518 /nfs/dbraw/zinc/81/85/18/1025818518.db2.gz RQOXQKMVSZZPCT-UHFFFAOYSA-N -1 0 305.294 -0.700 20 0 DBADRM NS(=O)(=O)Cc1cccc(C(=O)NC[C@H](F)C(=O)[O-])c1 ZINC001571085756 1025819170 /nfs/dbraw/zinc/81/91/70/1025819170.db2.gz SMAMYAQRQGDJLO-VIFPVBQESA-N -1 0 304.299 -0.372 20 0 DBADRM O=C([O-])c1cnoc1CN1CCS(=O)(=O)C[C@H]1CCO ZINC001571085623 1025819559 /nfs/dbraw/zinc/81/95/59/1025819559.db2.gz RKHQREPISWSMES-MRVPVSSYSA-N -1 0 304.324 -0.646 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cc3c(=O)[nH]cnc3cn2)C1 ZINC001571084727 1025819768 /nfs/dbraw/zinc/81/97/68/1025819768.db2.gz HRPGMDNIYSNUAI-CYBMUJFWSA-N -1 0 304.262 -0.608 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001571086898 1025820770 /nfs/dbraw/zinc/82/07/70/1025820770.db2.gz YBHDSIHIFOFGDZ-SKDRFNHKSA-N -1 0 304.368 -0.266 20 0 DBADRM COC(=O)C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001571086305 1025821215 /nfs/dbraw/zinc/82/12/15/1025821215.db2.gz ZRWBOXPNHDIHRE-ZETCQYMHSA-N -1 0 304.324 -0.047 20 0 DBADRM CON1CCC(NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1 ZINC001571086471 1025821240 /nfs/dbraw/zinc/82/12/40/1025821240.db2.gz PDTKACKYHKJZGI-UHFFFAOYSA-N -1 0 304.328 -0.588 20 0 DBADRM CCC[C@H](C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])S(N)(=O)=O ZINC001571085980 1025821273 /nfs/dbraw/zinc/82/12/73/1025821273.db2.gz FWHUEIXYVKQLDL-LNLATYFQSA-N -1 0 304.368 -0.091 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)c2cccnn2)C1 ZINC001571086093 1025821712 /nfs/dbraw/zinc/82/17/12/1025821712.db2.gz WSZVTMLCNZYVFH-XKNYDFJKSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCN3C(=O)OC[C@@H]3C2)C1 ZINC001571086077 1025821719 /nfs/dbraw/zinc/82/17/19/1025821719.db2.gz WDTALDPAPHWRFV-XHNCKOQMSA-N -1 0 304.324 -0.684 20 0 DBADRM O=C([O-])[C@@H](CC(F)F)NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001571085803 1025821766 /nfs/dbraw/zinc/82/17/66/1025821766.db2.gz TYNGSFWJDRAHIA-NTSWFWBYSA-N -1 0 304.253 -0.229 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001571087553 1025823459 /nfs/dbraw/zinc/82/34/59/1025823459.db2.gz DVALSMOQUNSCOU-RKDXNWHRSA-N -1 0 305.352 -0.030 20 0 DBADRM COCCS(=O)(=O)CC(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001571088083 1025822590 /nfs/dbraw/zinc/82/25/90/1025822590.db2.gz RRAOQKQYMXBTHA-UHFFFAOYSA-N -1 0 305.312 -0.882 20 0 DBADRM NC(=O)NC1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001571087648 1025822935 /nfs/dbraw/zinc/82/29/35/1025822935.db2.gz INTHKLUVFZNRPF-UHFFFAOYSA-N -1 0 305.356 -0.686 20 0 DBADRM CO[C@]1(C(=O)N2CC[C@H](NC(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001571091205 1025823009 /nfs/dbraw/zinc/82/30/09/1025823009.db2.gz BHYOPARIJOLVBR-GZMMTYOYSA-N -1 0 306.340 -0.941 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C1 ZINC001571087620 1025823706 /nfs/dbraw/zinc/82/37/06/1025823706.db2.gz HGSHAPKYCGTNSF-IONNQARKSA-N -1 0 305.356 -0.688 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001571091377 1025824574 /nfs/dbraw/zinc/82/45/74/1025824574.db2.gz DWHIVIFHCVTGEP-UHFFFAOYSA-N -1 0 306.282 -0.565 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)c1cnn2cccnc12 ZINC001571091875 1025825085 /nfs/dbraw/zinc/82/50/85/1025825085.db2.gz LFSREXLXLOVCPV-VIFPVBQESA-N -1 0 306.278 -0.325 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)Nc2cnc3c(c2)CNC3=O)C1 ZINC001571092642 1025825118 /nfs/dbraw/zinc/82/51/18/1025825118.db2.gz WPZCSHWZPLESSZ-CYBMUJFWSA-N -1 0 306.278 -0.622 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CC[C@H](NC(=O)[O-])C2)C1 ZINC001571092609 1025825667 /nfs/dbraw/zinc/82/56/67/1025825667.db2.gz VGWSMPURIKEMHS-XHNCKOQMSA-N -1 0 306.340 -0.390 20 0 DBADRM O=C([O-])c1cnc(N2CCOC[C@@H]2CNC(=O)C2CC2)nc1 ZINC001571092577 1025825718 /nfs/dbraw/zinc/82/57/18/1025825718.db2.gz UBELHSYVGXOEQQ-NSHDSACASA-N -1 0 306.322 -0.094 20 0 DBADRM C[N@@H+]1CCN(C(=O)Cc2nnc(C3CC3)[nH]2)C[C@@H](C(=O)[O-])C1 ZINC001571095932 1025826361 /nfs/dbraw/zinc/82/63/61/1025826361.db2.gz DULZBSZHSZDUHI-JTQLQIEISA-N -1 0 307.354 -0.301 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])cn1 ZINC001571095620 1025826671 /nfs/dbraw/zinc/82/66/71/1025826671.db2.gz APPDEHRPGCLLDA-ONGXEEELSA-N -1 0 307.306 -0.067 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001571096030 1025827063 /nfs/dbraw/zinc/82/70/63/1025827063.db2.gz GJDXPNLIACPFDJ-DBIOUOCHSA-N -1 0 307.368 -0.037 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001571096033 1025827508 /nfs/dbraw/zinc/82/75/08/1025827508.db2.gz GJDXPNLIACPFDJ-ZNSHCXBVSA-N -1 0 307.368 -0.037 20 0 DBADRM COCC1(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)CCC1 ZINC001571093551 1025827613 /nfs/dbraw/zinc/82/76/13/1025827613.db2.gz QJTPVSYSBIRLCB-UHFFFAOYSA-N -1 0 306.384 -0.413 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC001571096990 1025828069 /nfs/dbraw/zinc/82/80/69/1025828069.db2.gz VEWXKSQSSNGMQD-UHFFFAOYSA-N -1 0 307.262 -0.319 20 0 DBADRM CC[C@@](COC)(NC(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001571096331 1025828196 /nfs/dbraw/zinc/82/81/96/1025828196.db2.gz LGKAGNDOMRMGMA-LBPRGKRZSA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001571096502 1025828285 /nfs/dbraw/zinc/82/82/85/1025828285.db2.gz LQBMTOCJAFWASK-MIZYBKAJSA-N -1 0 307.368 -0.301 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1cccc2c1COC2=O ZINC001571096385 1025829097 /nfs/dbraw/zinc/82/90/97/1025829097.db2.gz NRLOKDCFEDNHHE-UHFFFAOYSA-N -1 0 307.262 -0.321 20 0 DBADRM NC(=O)C1(NC(=O)Cn2cccc(C(=O)[O-])c2=O)CCCC1 ZINC001571096752 1025829372 /nfs/dbraw/zinc/82/93/72/1025829372.db2.gz SHJOBEOBVJIRIG-UHFFFAOYSA-N -1 0 307.306 -0.539 20 0 DBADRM CC(=O)N1CC(n2cc(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])nn2)C1 ZINC001571096995 1025829408 /nfs/dbraw/zinc/82/94/08/1025829408.db2.gz VICOTFVCEVAQGC-QWRGUYRKSA-N -1 0 307.310 -0.982 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001571097085 1025829448 /nfs/dbraw/zinc/82/94/48/1025829448.db2.gz WCLFTPWAGQPMQA-LLVKDONJSA-N -1 0 307.306 -0.701 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C[C@@]1(O)CCCOC1 ZINC001571097421 1025830093 /nfs/dbraw/zinc/83/00/93/1025830093.db2.gz ZXGGGBWVZCVMMW-JQWIXIFHSA-N -1 0 307.368 -0.898 20 0 DBADRM Cn1cc(NC(=O)NC[C@H](O)Cn2ccnn2)cc1C(=O)[O-] ZINC001571097740 1025831040 /nfs/dbraw/zinc/83/10/40/1025831040.db2.gz DEWNIBYGVKNACN-VIFPVBQESA-N -1 0 308.298 -0.503 20 0 DBADRM COC[C@@H](C)CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001571097390 1025831214 /nfs/dbraw/zinc/83/12/14/1025831214.db2.gz YQZGGWHYBCAGLL-HOTUBEGUSA-N -1 0 307.368 -0.337 20 0 DBADRM Cc1c(C(=O)N[C@@H](CF)C(=O)[O-])cnn1-c1ccc(=O)[nH]n1 ZINC001571101331 1025831847 /nfs/dbraw/zinc/83/18/47/1025831847.db2.gz YYQPKZXYWKEEGI-QMMMGPOBSA-N -1 0 309.257 -0.171 20 0 DBADRM COC(=O)[C@@H](CCF)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571100897 1025831865 /nfs/dbraw/zinc/83/18/65/1025831865.db2.gz QWEKVZDSBVEDOD-RXMQYKEDSA-N -1 0 309.275 -0.713 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)c1 ZINC001571101142 1025831914 /nfs/dbraw/zinc/83/19/14/1025831914.db2.gz VOTGLZHOWUCHJL-DGCLKSJQSA-N -1 0 309.318 -0.035 20 0 DBADRM CCCNC(=O)[C@@H](C)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001571100575 1025832125 /nfs/dbraw/zinc/83/21/25/1025832125.db2.gz LEPGWAHSONMTPE-SECBINFHSA-N -1 0 309.322 -0.423 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1C(=O)[O-] ZINC001571101152 1025832243 /nfs/dbraw/zinc/83/22/43/1025832243.db2.gz VUCWSIAVRLFMJN-SFYZADRCSA-N -1 0 309.278 -0.941 20 0 DBADRM CO[C@@H]1CCN(C(=O)C2=C3CCCN=C3NN2)[C@H](C(=O)[O-])C1 ZINC001571101562 1025832250 /nfs/dbraw/zinc/83/22/50/1025832250.db2.gz CMYWVXMGTPJZHU-SCZZXKLOSA-N -1 0 308.338 -0.369 20 0 DBADRM Cn1nc(NC(=O)C2=NN(CCO)C(=O)CC2)cc1C(=O)[O-] ZINC001571100539 1025832492 /nfs/dbraw/zinc/83/24/92/1025832492.db2.gz KHDMTWJVXPYWAI-UHFFFAOYSA-N -1 0 309.282 -0.973 20 0 DBADRM CC(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001571101512 1025832518 /nfs/dbraw/zinc/83/25/18/1025832518.db2.gz CSDROPWSWAAYJH-QWRGUYRKSA-N -1 0 309.326 -0.752 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[C@H]1COc2ccc(O)cc2O1 ZINC001571101043 1025832720 /nfs/dbraw/zinc/83/27/20/1025832720.db2.gz UHFATHZROHXPAJ-KBVBSXBZSA-N -1 0 309.274 -0.422 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)[C@]2(F)CCS(=O)(=O)C2)CCOC1 ZINC001571101192 1025832789 /nfs/dbraw/zinc/83/27/89/1025832789.db2.gz WMNATCCLVYAEPB-MNOVXSKESA-N -1 0 309.315 -0.879 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCc3nnn(C)c3C2)C[C@@H](C(=O)[O-])O1 ZINC001571101442 1025833112 /nfs/dbraw/zinc/83/31/12/1025833112.db2.gz ADUQAXCIJJBZNI-PTRXPTGYSA-N -1 0 308.338 -0.380 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001571100895 1025833195 /nfs/dbraw/zinc/83/31/95/1025833195.db2.gz QUNUARMPVGUIGQ-OOZYFLPDSA-N -1 0 309.282 -0.753 20 0 DBADRM COc1cccnc1CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001571102350 1025833659 /nfs/dbraw/zinc/83/36/59/1025833659.db2.gz NESNCYAUPOGZCX-IUCAKERBSA-N -1 0 309.322 -0.273 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](O)Cc1ccccc1)C(=O)[O-] ZINC001571103281 1025833823 /nfs/dbraw/zinc/83/38/23/1025833823.db2.gz VECCBBQIBJFGHQ-NHCYSSNCSA-N -1 0 308.334 -0.316 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cn1 ZINC001571103101 1025834031 /nfs/dbraw/zinc/83/40/31/1025834031.db2.gz WCHOTRPGYIOBCA-MISXGVKJSA-N -1 0 309.322 -0.597 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nn1 ZINC001571103474 1025834346 /nfs/dbraw/zinc/83/43/46/1025834346.db2.gz WPJLJYXWZQZLSQ-DVVUODLYSA-N -1 0 308.338 -0.099 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)C2=CCOCC2)C1 ZINC001571103248 1025834463 /nfs/dbraw/zinc/83/44/63/1025834463.db2.gz UPLPLLCFVBLJTO-DDHJBXDOSA-N -1 0 308.334 -0.183 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001571102647 1025834590 /nfs/dbraw/zinc/83/45/90/1025834590.db2.gz PIIORUSWPMVMFM-CQSZACIVSA-N -1 0 309.322 -0.333 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)c1cc(C(=O)[O-])ccn1 ZINC001571101964 1025834684 /nfs/dbraw/zinc/83/46/84/1025834684.db2.gz KKRLTVHXOBMLAK-UHFFFAOYSA-N -1 0 309.322 -0.043 20 0 DBADRM COC(=O)COCC(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001571106152 1025835735 /nfs/dbraw/zinc/83/57/35/1025835735.db2.gz GCUFSPSUVYZSLU-LLVKDONJSA-N -1 0 310.306 -0.369 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(CCCN2CCCC2=O)C1 ZINC001571106346 1025836269 /nfs/dbraw/zinc/83/62/69/1025836269.db2.gz KEWRFGJTMYIZQJ-RYUDHWBXSA-N -1 0 309.366 -0.480 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571106499 1025836374 /nfs/dbraw/zinc/83/63/74/1025836374.db2.gz QMWDHBRQQRQNPY-GXFFZTMASA-N -1 0 310.306 -0.389 20 0 DBADRM CC(=O)N1CCC(N(CCO)c2ncc(C(=O)[O-])cn2)CC1 ZINC001571103597 1025836659 /nfs/dbraw/zinc/83/66/59/1025836659.db2.gz ZREWYBDFKOFYNY-UHFFFAOYSA-N -1 0 308.338 -0.016 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001571106205 1025836814 /nfs/dbraw/zinc/83/68/14/1025836814.db2.gz JRUMWNXUPOFXAK-DVVUODLYSA-N -1 0 310.354 -0.047 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cnns2)CC1 ZINC001571106120 1025837053 /nfs/dbraw/zinc/83/70/53/1025837053.db2.gz IVDYPMCNLREMNA-JGVFFNPUSA-N -1 0 310.335 -0.457 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cc(C(=O)[O-])on2)O1 ZINC001571108017 1025837401 /nfs/dbraw/zinc/83/74/01/1025837401.db2.gz IVRBAFWNHLDINF-IONNQARKSA-N -1 0 311.294 -0.262 20 0 DBADRM CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)CCCc2nn[n-]n2)CC1 ZINC001571106985 1025837850 /nfs/dbraw/zinc/83/78/50/1025837850.db2.gz XPMBTGOUNCWCGS-UHFFFAOYSA-N -1 0 310.358 -0.470 20 0 DBADRM COC(=O)c1cnoc1CN1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001571108547 1025837948 /nfs/dbraw/zinc/83/79/48/1025837948.db2.gz WDQDUUJSKCYNFH-VIFPVBQESA-N -1 0 311.294 -0.374 20 0 DBADRM C[C@@](O)(CNC(=O)CNC(=O)Cc1ccc(O)cc1)C(=O)[O-] ZINC001571107431 1025838097 /nfs/dbraw/zinc/83/80/97/1025838097.db2.gz ZHFMLVVBDNBSFZ-CQSZACIVSA-N -1 0 310.306 -0.997 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)COCc1ccncc1 ZINC001571106964 1025838276 /nfs/dbraw/zinc/83/82/76/1025838276.db2.gz XLQACWANFURATM-LLVKDONJSA-N -1 0 310.306 -0.069 20 0 DBADRM COc1cc(OC)nc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC001571107776 1025838711 /nfs/dbraw/zinc/83/87/11/1025838711.db2.gz GKLBDMMVNYDZGT-QMMMGPOBSA-N -1 0 311.294 -0.191 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@](C)(COC)CC(=O)[O-] ZINC001571111491 1025839691 /nfs/dbraw/zinc/83/96/91/1025839691.db2.gz MDPNJXZTZHDBNA-LLVKDONJSA-N -1 0 311.356 -0.956 20 0 DBADRM COCC1(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CCOCC1 ZINC001571111858 1025839723 /nfs/dbraw/zinc/83/97/23/1025839723.db2.gz DKPGHPKYSHZNDQ-JTQLQIEISA-N -1 0 312.326 -0.709 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@@](C)(COC)CC(=O)[O-] ZINC001571111309 1025839811 /nfs/dbraw/zinc/83/98/11/1025839811.db2.gz JNQVNKSVCCPRNF-LLVKDONJSA-N -1 0 311.356 -0.261 20 0 DBADRM CN(CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])C(=O)C1CC1 ZINC001571112070 1025839821 /nfs/dbraw/zinc/83/98/21/1025839821.db2.gz XTSUEQKLZRQXPK-JTQLQIEISA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@](CO)(NC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)[O-] ZINC001571111941 1025840077 /nfs/dbraw/zinc/84/00/77/1025840077.db2.gz HUSUNXUSZPFJNT-CQSZACIVSA-N -1 0 312.297 -0.564 20 0 DBADRM CC(C)(O)[C@H](O)C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC001571111304 1025840082 /nfs/dbraw/zinc/84/00/82/1025840082.db2.gz JINDVLUZKUNALP-ZYHUDNBSSA-N -1 0 311.334 -0.117 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)Cc1cccnc1)C(=O)[O-] ZINC001571111645 1025840488 /nfs/dbraw/zinc/84/04/88/1025840488.db2.gz CVRMEHSLYFARFB-GXFFZTMASA-N -1 0 312.347 -0.372 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)CCCC(=O)OC ZINC001571112177 1025841107 /nfs/dbraw/zinc/84/11/07/1025841107.db2.gz ZIDLEBAPSHYALA-SECBINFHSA-N -1 0 311.356 -0.309 20 0 DBADRM C[C@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)c2ncnn21 ZINC001571112080 1025841413 /nfs/dbraw/zinc/84/14/13/1025841413.db2.gz IYYFMZQSXPJDHB-WDSKDSINSA-N -1 0 312.311 -0.316 20 0 DBADRM COC(=O)[C@H](CNC(=O)c1cc(C(=O)[O-])no1)[C@H]1CCOC1 ZINC001571112832 1025841467 /nfs/dbraw/zinc/84/14/67/1025841467.db2.gz SVWSTZOVAYCIGW-JGVFFNPUSA-N -1 0 312.278 -0.072 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1cnc2c(F)cc(F)cc2c1O ZINC001571112647 1025841532 /nfs/dbraw/zinc/84/15/32/1025841532.db2.gz HUUKHQHBWIEUFW-VIFPVBQESA-N -1 0 312.228 -0.018 20 0 DBADRM CNC(=O)Cc1noc(CN2C[C@@H](OC)C[C@@]2(C)C(=O)[O-])n1 ZINC001571113198 1025842365 /nfs/dbraw/zinc/84/23/65/1025842365.db2.gz XCLFGPZEWDGADU-SDBXPKJASA-N -1 0 312.326 -0.578 20 0 DBADRM COCCN(CCC(=O)OC)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001571112120 1025842399 /nfs/dbraw/zinc/84/23/99/1025842399.db2.gz YMTPBJSCDIZEBR-SECBINFHSA-N -1 0 311.356 -0.452 20 0 DBADRM COC(=O)[C@@H](CNC(=O)c1cc(C(=O)[O-])no1)[C@H]1CCOC1 ZINC001571112834 1025842420 /nfs/dbraw/zinc/84/24/20/1025842420.db2.gz SVWSTZOVAYCIGW-YUMQZZPRSA-N -1 0 312.278 -0.072 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)C2N=NC(=O)N2C)C1 ZINC001571118589 1025843007 /nfs/dbraw/zinc/84/30/07/1025843007.db2.gz HMGTTWYQXNIAOY-JMCQJSRRSA-N -1 0 313.314 -0.533 20 0 DBADRM CS(=O)(=O)Cc1cccc(C(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001571118237 1025843202 /nfs/dbraw/zinc/84/32/02/1025843202.db2.gz AXUZASGTHWNKBN-UHFFFAOYSA-N -1 0 313.331 -0.497 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCC[C@@H]2COC[C@@H]21 ZINC001571116777 1025843738 /nfs/dbraw/zinc/84/37/38/1025843738.db2.gz NIODIUSWURIPGN-MNOVXSKESA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)N3CC[C@H](O)[C@H](CO)C3)[C@@H]2C1 ZINC001571116112 1025843953 /nfs/dbraw/zinc/84/39/53/1025843953.db2.gz XYHRUYWVENWCRW-QKFSQAGISA-N -1 0 312.366 -0.130 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NCC1(CC(=O)[O-])CCCC1)C(N)=O ZINC001571116503 1025844091 /nfs/dbraw/zinc/84/40/91/1025844091.db2.gz GGHSKPHQSGOXDG-JTQLQIEISA-N -1 0 313.354 -0.482 20 0 DBADRM NC(=O)COc1cccc(CNC(=O)NC[C@H](F)C(=O)[O-])c1 ZINC001571118880 1025844327 /nfs/dbraw/zinc/84/43/27/1025844327.db2.gz LAGCEOQOEWLMNH-JTQLQIEISA-N -1 0 313.285 -0.227 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001571119070 1025845279 /nfs/dbraw/zinc/84/52/79/1025845279.db2.gz SKAQWMPRDVSXRD-UHFFFAOYSA-N -1 0 313.335 -0.685 20 0 DBADRM C[C@H](NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C1N=NC(=O)N1C ZINC001571119077 1025845607 /nfs/dbraw/zinc/84/56/07/1025845607.db2.gz SVFYXUIVVCADLI-XLPZGREQSA-N -1 0 313.314 -0.629 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)c3cccnn3)C2)n1 ZINC001571119324 1025846196 /nfs/dbraw/zinc/84/61/96/1025846196.db2.gz CZPSGSXSACREQR-VIFPVBQESA-N -1 0 314.305 -0.287 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C1CCN(C(C)=O)CC1 ZINC001571122955 1025846782 /nfs/dbraw/zinc/84/67/82/1025846782.db2.gz JMDDEYXTBVZEHI-LLVKDONJSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CC[C@@](O)(C(=O)[O-])C2)C1 ZINC001571123287 1025847235 /nfs/dbraw/zinc/84/72/35/1025847235.db2.gz PNMKDDIHUNVXKN-RBZYPMLTSA-N -1 0 315.322 -0.607 20 0 DBADRM COc1nn(C)cc1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001571123557 1025847399 /nfs/dbraw/zinc/84/73/99/1025847399.db2.gz REQIKERBWLARSB-UHFFFAOYSA-N -1 0 315.311 -0.672 20 0 DBADRM COCC(COC)N1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001571122603 1025847849 /nfs/dbraw/zinc/84/78/49/1025847849.db2.gz HOAVHEYLEQMVDE-QWHCGFSZSA-N -1 0 314.382 -0.097 20 0 DBADRM CS(=O)(=O)NCC1CCN(c2nccc(C(=O)[O-])n2)CC1 ZINC001571122161 1025848098 /nfs/dbraw/zinc/84/80/98/1025848098.db2.gz DHDWJDLYVPTETR-UHFFFAOYSA-N -1 0 314.367 -0.060 20 0 DBADRM Cn1nc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1Cl ZINC001571122871 1025848114 /nfs/dbraw/zinc/84/81/14/1025848114.db2.gz JEWOVSHPSDLARW-MRVPVSSYSA-N -1 0 314.729 -0.121 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H]1CC[C@H](CO)CC1)C(=O)[O-] ZINC001571126290 1025848808 /nfs/dbraw/zinc/84/88/08/1025848808.db2.gz PSGCUFFHJLHVCY-NAKRPEOUSA-N -1 0 315.370 -0.186 20 0 DBADRM CC(C)(C)[C@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001571126203 1025848858 /nfs/dbraw/zinc/84/88/58/1025848858.db2.gz ODTWYFNTDOPRFC-SECBINFHSA-N -1 0 315.351 -0.042 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cnc1N ZINC001571125870 1025849248 /nfs/dbraw/zinc/84/92/48/1025849248.db2.gz MZMPCGWICNCZEB-VIFPVBQESA-N -1 0 315.351 -0.164 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001571126714 1025849518 /nfs/dbraw/zinc/84/95/18/1025849518.db2.gz WFVMYWKIHHAHOM-YIZRAAEISA-N -1 0 315.370 -0.369 20 0 DBADRM Cn1cc(CC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)cn1 ZINC001571125168 1025849558 /nfs/dbraw/zinc/84/95/58/1025849558.db2.gz FFQZTHAUKRBRRV-UHFFFAOYSA-N -1 0 315.351 -0.889 20 0 DBADRM C[N@@H+]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H](C(=O)[O-])C1 ZINC001571126663 1025849731 /nfs/dbraw/zinc/84/97/31/1025849731.db2.gz VIZGYTYXEQRUTM-SSDOTTSWSA-N -1 0 315.355 -0.923 20 0 DBADRM CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)[C@@H](CO)C1 ZINC001571126655 1025849848 /nfs/dbraw/zinc/84/98/48/1025849848.db2.gz VCHQDJSKZWWSEL-SNVBAGLBSA-N -1 0 315.351 -0.923 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@H]1CCC[C@H](O)C1)C(=O)[O-] ZINC001571126801 1025849863 /nfs/dbraw/zinc/84/98/63/1025849863.db2.gz ZZCZNSFJSIQAOI-NAKRPEOUSA-N -1 0 315.370 -0.186 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001571126848 1025851068 /nfs/dbraw/zinc/85/10/68/1025851068.db2.gz XJTXBCRKNNZQRJ-GDPRMGEGSA-N -1 0 315.351 -0.014 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1C(=O)[O-])C(N)=O ZINC001571128532 1025851144 /nfs/dbraw/zinc/85/11/44/1025851144.db2.gz MLFIOUOGOUGGLJ-SECBINFHSA-N -1 0 316.335 -0.064 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2cccnc2)nc1 ZINC001571130966 1025851581 /nfs/dbraw/zinc/85/15/81/1025851581.db2.gz MNKGBXPQFLGUMM-STQMWFEESA-N -1 0 317.301 -0.001 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCS(=O)(=O)N2CCCC2)[nH]1 ZINC001571126885 1025851723 /nfs/dbraw/zinc/85/17/23/1025851723.db2.gz YJOHOQOLBVPOBR-UHFFFAOYSA-N -1 0 315.351 -0.132 20 0 DBADRM CN([C@]1(CO)CCOC1)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001571128887 1025851958 /nfs/dbraw/zinc/85/19/58/1025851958.db2.gz SLZHKGZTSCQEBW-LBPRGKRZSA-N -1 0 316.335 -0.448 20 0 DBADRM CCn1cc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)nn1 ZINC001571131312 1025852033 /nfs/dbraw/zinc/85/20/33/1025852033.db2.gz AYSWUMFFFFOCEN-UHFFFAOYSA-N -1 0 316.339 -0.940 20 0 DBADRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)CCNC(=O)CO)C(=O)[O-])C1 ZINC001571131286 1025852038 /nfs/dbraw/zinc/85/20/38/1025852038.db2.gz AERFDCZUUKILSR-GIPNMCIBSA-N -1 0 316.354 -0.740 20 0 DBADRM CCc1ocnc1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001571128269 1025852059 /nfs/dbraw/zinc/85/20/59/1025852059.db2.gz KBCNGXMSMZMMJX-QPUJVOFHSA-N -1 0 316.335 -0.145 20 0 DBADRM COC[C@@](C)(CC(=O)OC)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001571132635 1025853228 /nfs/dbraw/zinc/85/32/28/1025853228.db2.gz FDMKGTDLWPADFQ-RSVSFAPFSA-N -1 0 317.338 -0.051 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCC[C@@]1(O)CCCOC1 ZINC001571131444 1025853453 /nfs/dbraw/zinc/85/34/53/1025853453.db2.gz GZOYZLMCDSYBKJ-GYSYKLTISA-N -1 0 316.354 -0.293 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001571132916 1025854385 /nfs/dbraw/zinc/85/43/85/1025854385.db2.gz HTMABOZOTCXTCT-XCBNKYQSSA-N -1 0 317.309 -0.135 20 0 DBADRM O=C([O-])c1cnc(N2CCC[C@H](NC(=O)c3cn[nH]n3)C2)nc1 ZINC001571133291 1025854624 /nfs/dbraw/zinc/85/46/24/1025854624.db2.gz NDVWIXPPKLNFQT-VIFPVBQESA-N -1 0 317.309 -0.308 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C1=CS(=O)(=O)CCC1)[C@@H]1CCOC1 ZINC001571133431 1025854700 /nfs/dbraw/zinc/85/47/00/1025854700.db2.gz NMOQQNDNWLBRHR-MWLCHTKSSA-N -1 0 317.363 -0.068 20 0 DBADRM CCOC(=O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C1CC1 ZINC001571133347 1025854768 /nfs/dbraw/zinc/85/47/68/1025854768.db2.gz ONJKGVCHCBCBQR-VIFPVBQESA-N -1 0 317.323 -0.272 20 0 DBADRM Cn1ncc(C(=O)N2CC[C@H](Nc3ncc(C(=O)[O-])cn3)C2)n1 ZINC001571133386 1025854941 /nfs/dbraw/zinc/85/49/41/1025854941.db2.gz PVDRMKFCCKRFSS-VIFPVBQESA-N -1 0 317.309 -0.370 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1cccc2c1OCCO2)C(=O)[O-] ZINC001571132871 1025855168 /nfs/dbraw/zinc/85/51/68/1025855168.db2.gz HBBUANZJZAOKBH-GFCCVEGCSA-N -1 0 317.319 -0.428 20 0 DBADRM CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001571133357 1025855203 /nfs/dbraw/zinc/85/52/03/1025855203.db2.gz OQILMSDKWZAKIB-ITMYJUKJSA-N -1 0 317.338 -0.173 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001571133437 1025855523 /nfs/dbraw/zinc/85/55/23/1025855523.db2.gz NZKOICTWHWUSSW-GXSJLCMTSA-N -1 0 317.367 -0.419 20 0 DBADRM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001571137413 1025856383 /nfs/dbraw/zinc/85/63/83/1025856383.db2.gz FPETZWVIXQTMPX-UTUOFQBUSA-N -1 0 318.395 -0.020 20 0 DBADRM Cc1c(NC(=O)N2CC(O)(C(=O)[O-])C2)cccc1-n1cnnn1 ZINC001571137551 1025856413 /nfs/dbraw/zinc/85/64/13/1025856413.db2.gz ILVYMTHRRHGSKK-UHFFFAOYSA-N -1 0 318.293 -0.366 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)CCc2ocnc2C(=O)[O-])C1 ZINC001571133805 1025856771 /nfs/dbraw/zinc/85/67/71/1025856771.db2.gz XMTUJVQBOPDRMH-SSDOTTSWSA-N -1 0 317.323 -0.805 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001571137294 1025857418 /nfs/dbraw/zinc/85/74/18/1025857418.db2.gz APVNYIAPNMPVBV-QMMMGPOBSA-N -1 0 318.293 -0.125 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@H]1COc2ccccc2O1 ZINC001571137997 1025857605 /nfs/dbraw/zinc/85/76/05/1025857605.db2.gz PDEKEQYCPAEGQX-JOYOIKCWSA-N -1 0 318.289 -0.313 20 0 DBADRM Cc1oc(C(=O)NC2(C)CN(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC001571133550 1025857619 /nfs/dbraw/zinc/85/76/19/1025857619.db2.gz SSBGKBWQMNDVKI-UHFFFAOYSA-N -1 0 317.323 -0.282 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)cn1 ZINC001571137572 1025857835 /nfs/dbraw/zinc/85/78/35/1025857835.db2.gz JPGMFYBWIYIONM-AWEZNQCLSA-N -1 0 318.289 -0.374 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3ccc[nH]3)C[C@H]21 ZINC001571133629 1025857936 /nfs/dbraw/zinc/85/79/36/1025857936.db2.gz RNNXMAWSYKSMBB-SVPLCASGSA-N -1 0 317.345 -0.149 20 0 DBADRM C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001571137488 1025857961 /nfs/dbraw/zinc/85/79/61/1025857961.db2.gz FTSLIOGHQXSUNS-QMMMGPOBSA-N -1 0 318.293 -0.485 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001571133845 1025858009 /nfs/dbraw/zinc/85/80/09/1025858009.db2.gz YBJCECRLKZIZQK-QMMMGPOBSA-N -1 0 317.309 -0.650 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@H]1CCc2nncn2CC1 ZINC001571140869 1025858355 /nfs/dbraw/zinc/85/83/55/1025858355.db2.gz TWBAIZINGQUKHI-QWRGUYRKSA-N -1 0 318.337 -0.303 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2conc2C)C[C@@H]1C(=O)[O-] ZINC001571140235 1025858431 /nfs/dbraw/zinc/85/84/31/1025858431.db2.gz RCXCFUMFVIIFAP-JGVFFNPUSA-N -1 0 318.307 -0.523 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)CC1=O ZINC001571140293 1025858518 /nfs/dbraw/zinc/85/85/18/1025858518.db2.gz CLLVXGNNOPYPSS-MRVPVSSYSA-N -1 0 319.277 -0.969 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571139767 1025858788 /nfs/dbraw/zinc/85/87/88/1025858788.db2.gz MFLNASMMHQYGID-IMTBSYHQSA-N -1 0 318.307 -0.793 20 0 DBADRM Cc1nccc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001571139774 1025858862 /nfs/dbraw/zinc/85/88/62/1025858862.db2.gz MHYSVYVSOSIZQK-QWRGUYRKSA-N -1 0 318.333 -0.210 20 0 DBADRM Cn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(=O)[O-])cn1 ZINC001571139400 1025858877 /nfs/dbraw/zinc/85/88/77/1025858877.db2.gz KMBDMLUHLJVOKN-RNWYCLNJSA-N -1 0 318.333 -0.673 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001571140572 1025858883 /nfs/dbraw/zinc/85/88/83/1025858883.db2.gz FNVSOPAIIDNLNK-SVRRBLITSA-N -1 0 319.291 -0.725 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2ccncn2)CC1 ZINC001571139822 1025859319 /nfs/dbraw/zinc/85/93/19/1025859319.db2.gz NQUFTBPEPDWFCW-WDEREUQCSA-N -1 0 318.333 -0.082 20 0 DBADRM Cc1nc2c(cnn2C)c(N2CCC[C@H]2C(=O)NCC(=O)[O-])n1 ZINC001571140339 1025859457 /nfs/dbraw/zinc/85/94/57/1025859457.db2.gz SEGWDWCFDGRCRM-JTQLQIEISA-N -1 0 318.337 -0.159 20 0 DBADRM O=C([O-])c1ccc(F)cc1S(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC001571140088 1025859514 /nfs/dbraw/zinc/85/95/14/1025859514.db2.gz AKCVETJYQDRYMS-NXEZZACHSA-N -1 0 319.310 -0.048 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])c(F)c1 ZINC001571139383 1025859585 /nfs/dbraw/zinc/85/95/85/1025859585.db2.gz KISUAGGZHVJVGC-KCJUWKMLSA-N -1 0 318.326 -0.507 20 0 DBADRM CC(C)(C)OC(=O)NC1(CC(=O)N[C@H](CO)C(=O)[O-])COC1 ZINC001571139328 1025859635 /nfs/dbraw/zinc/85/96/35/1025859635.db2.gz JLGJNJPKFIFPGX-MRVPVSSYSA-N -1 0 318.326 -0.768 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)c2conc2C)C[C@@H]1C(=O)[O-] ZINC001571140240 1025859921 /nfs/dbraw/zinc/85/99/21/1025859921.db2.gz RCXCFUMFVIIFAP-YUMQZZPRSA-N -1 0 318.307 -0.523 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001571140134 1025859932 /nfs/dbraw/zinc/85/99/32/1025859932.db2.gz PXUDYONLLPFOBX-IONNQARKSA-N -1 0 318.307 -0.678 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)Cc2cnn3c2CCCC3)nn1 ZINC001571141547 1025860430 /nfs/dbraw/zinc/86/04/30/1025860430.db2.gz XZSOLZBPGRSCPD-UHFFFAOYSA-N -1 0 318.337 -0.132 20 0 DBADRM Cc1cc(C)c(CC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])c(=O)[nH]1 ZINC001571142873 1025860495 /nfs/dbraw/zinc/86/04/95/1025860495.db2.gz BPYRUZIZHLLIKB-NSHDSACASA-N -1 0 319.321 -0.192 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)NCc1nnc2n1CCNC2=O ZINC001571141136 1025860558 /nfs/dbraw/zinc/86/05/58/1025860558.db2.gz MFISIOINVILGRS-UHFFFAOYSA-N -1 0 319.277 -0.449 20 0 DBADRM Cc1nn(CCS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c(=O)o1 ZINC001571143025 1025860673 /nfs/dbraw/zinc/86/06/73/1025860673.db2.gz HYXZDBRLXTZNQW-VXNVDRBHSA-N -1 0 319.339 -0.730 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC001571154483 1025873889 /nfs/dbraw/zinc/87/38/89/1025873889.db2.gz MMWPJCXYADQJHK-QMMMGPOBSA-N -1 0 321.380 -0.806 20 0 DBADRM Cc1cnc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001571141510 1025861100 /nfs/dbraw/zinc/86/11/00/1025861100.db2.gz XNWDEFLZRDQEDR-GWOFURMSSA-N -1 0 318.333 -0.117 20 0 DBADRM COCC[C@@H](NS(=O)(=O)Cc1noc(C2CC2)n1)C(=O)[O-] ZINC001571142939 1025861270 /nfs/dbraw/zinc/86/12/70/1025861270.db2.gz DYWHRQHKVYHYSU-MRVPVSSYSA-N -1 0 319.339 -0.144 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@H]1CCc2nncn2CC1)C(=O)[O-] ZINC001571140950 1025861508 /nfs/dbraw/zinc/86/15/08/1025861508.db2.gz VXCMJVTUUOYRRM-CABZTGNLSA-N -1 0 318.337 -0.094 20 0 DBADRM CNc1cc(CNC(=O)NCCn2cc(C(=O)[O-])nn2)ccn1 ZINC001571143215 1025862777 /nfs/dbraw/zinc/86/27/77/1025862777.db2.gz OLTCEEWRPKJOPI-UHFFFAOYSA-N -1 0 319.325 -0.088 20 0 DBADRM O=C([O-])c1ccccc1CCNC(=O)CN1CCC(=O)NC1=O ZINC001571143140 1025862875 /nfs/dbraw/zinc/86/28/75/1025862875.db2.gz MLKHDPFFARSYLE-UHFFFAOYSA-N -1 0 319.317 -0.015 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)CNC(=O)c1ncccc1O)C2 ZINC001571143295 1025862914 /nfs/dbraw/zinc/86/29/14/1025862914.db2.gz RSYGQJGDKICNJS-OLBFVZFUSA-N -1 0 319.317 -0.114 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2csc(C(=O)[O-])n2)C1 ZINC001571144455 1025862968 /nfs/dbraw/zinc/86/29/68/1025862968.db2.gz NAMNHZTZUPACHC-ZCFIWIBFSA-N -1 0 319.364 -0.395 20 0 DBADRM Cn1nncc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001571144527 1025863145 /nfs/dbraw/zinc/86/31/45/1025863145.db2.gz OBWACYNZSCIBPL-JULQROHOSA-N -1 0 319.365 -0.289 20 0 DBADRM CC1(NC(=O)CCn2cnc3c2ncnc3N)CN(C(=O)[O-])C1 ZINC001571143260 1025863227 /nfs/dbraw/zinc/86/32/27/1025863227.db2.gz QFGSHILJPRRPJG-UHFFFAOYSA-N -1 0 319.325 -0.333 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CCN1S(C)(=O)=O ZINC001571144471 1025863269 /nfs/dbraw/zinc/86/32/69/1025863269.db2.gz NJNBIFXYPDQOTB-IVZWLZJFSA-N -1 0 319.383 -0.618 20 0 DBADRM Cn1nnc2c1CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])nn1C)C2 ZINC001571143203 1025863332 /nfs/dbraw/zinc/86/33/32/1025863332.db2.gz ODMGEWHRYJRGCR-SSDOTTSWSA-N -1 0 319.325 -0.074 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])c(C(C)(C)C)n1 ZINC001571144405 1025863698 /nfs/dbraw/zinc/86/36/98/1025863698.db2.gz MCHNGLPMMYMAEU-MRVPVSSYSA-N -1 0 319.383 -0.169 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001571145636 1025864448 /nfs/dbraw/zinc/86/44/48/1025864448.db2.gz FEPGYLYOYDNPCN-WEDXCCLWSA-N -1 0 320.342 -0.788 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1=O ZINC001571145474 1025864755 /nfs/dbraw/zinc/86/47/55/1025864755.db2.gz AFVGOWXWGFQRNL-VIFPVBQESA-N -1 0 320.305 -0.573 20 0 DBADRM C[C@H](CS(=O)(=O)NC[C@H](CO)Cc1cnn(C)c1)C(=O)[O-] ZINC001571144663 1025864845 /nfs/dbraw/zinc/86/48/45/1025864845.db2.gz SCOPQBKSCYABJL-MWLCHTKSSA-N -1 0 319.383 -0.789 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001571145321 1025864973 /nfs/dbraw/zinc/86/49/73/1025864973.db2.gz SDRNSEPHDJLBQI-SNVBAGLBSA-N -1 0 320.252 -0.865 20 0 DBADRM CS(=O)(=O)CC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001571144605 1025864986 /nfs/dbraw/zinc/86/49/86/1025864986.db2.gz QAXDLFJRXPCPGY-CYBMUJFWSA-N -1 0 319.379 -0.361 20 0 DBADRM Cc1nocc1S(=O)(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001571145571 1025865034 /nfs/dbraw/zinc/86/50/34/1025865034.db2.gz CGCQJDHDYMXFJZ-MRVPVSSYSA-N -1 0 320.323 -0.132 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCc2ccc(O)c(CO)c2)nn1 ZINC001571145702 1025865065 /nfs/dbraw/zinc/86/50/65/1025865065.db2.gz HFLMUWSIUJHFBD-UHFFFAOYSA-N -1 0 320.305 -0.467 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)s1 ZINC001571145468 1025865320 /nfs/dbraw/zinc/86/53/20/1025865320.db2.gz AFJZBDIXBLPVBF-LNCKLZMNSA-N -1 0 320.348 -0.897 20 0 DBADRM C[C@@]1(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CCCS1(=O)=O ZINC001571144846 1025865550 /nfs/dbraw/zinc/86/55/50/1025865550.db2.gz ZIIMOSLANQJKST-MFKMUULPSA-N -1 0 319.379 -0.362 20 0 DBADRM Cn1nncc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001571144529 1025865578 /nfs/dbraw/zinc/86/55/78/1025865578.db2.gz OBWACYNZSCIBPL-LFSVMHDDSA-N -1 0 319.365 -0.289 20 0 DBADRM O=C([O-])NC1CCN(C(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 ZINC001571144828 1025865632 /nfs/dbraw/zinc/86/56/32/1025865632.db2.gz YSZSDBALVILNQU-SECBINFHSA-N -1 0 319.383 -0.137 20 0 DBADRM CN(CCNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001571144547 1025865660 /nfs/dbraw/zinc/86/56/60/1025865660.db2.gz OOICNQDKNQCKAQ-VIFPVBQESA-N -1 0 319.358 -0.012 20 0 DBADRM COC(=O)c1cccn(CC(=O)Nc2[nH]cnc2C(=O)[O-])c1=O ZINC001571144960 1025865671 /nfs/dbraw/zinc/86/56/71/1025865671.db2.gz DYEFIDRGKXHWTD-UHFFFAOYSA-N -1 0 320.261 -0.305 20 0 DBADRM COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)[O-] ZINC001571145993 1025866115 /nfs/dbraw/zinc/86/61/15/1025866115.db2.gz QEEIXKSQKDAGCO-DTWKUNHWSA-N -1 0 320.342 -0.522 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N[C@H](CO)[C@@H](O)c2ccccn2)c1 ZINC001571145743 1025866733 /nfs/dbraw/zinc/86/67/33/1025866733.db2.gz IXQRFTSMRDWDIH-YPMHNXCESA-N -1 0 320.305 -0.813 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1Nc1ccnc(C(=O)[O-])n1 ZINC001571145707 1025867159 /nfs/dbraw/zinc/86/71/59/1025867159.db2.gz HNTWDJRFEXGJFU-OUAUKWLOSA-N -1 0 320.349 -0.108 20 0 DBADRM Cc1ccn(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001571146484 1025867500 /nfs/dbraw/zinc/86/75/00/1025867500.db2.gz ZHSCMTUWRKTBKU-WHOHXGKFSA-N -1 0 320.349 -0.324 20 0 DBADRM Cn1cc(-n2cc(C(=O)NCC[C@H](O)C(=O)[O-])ccc2=O)cn1 ZINC001571145780 1025867475 /nfs/dbraw/zinc/86/74/75/1025867475.db2.gz JTEITKRPEUXVNQ-NSHDSACASA-N -1 0 320.305 -0.864 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCO[C@@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001571145966 1025867512 /nfs/dbraw/zinc/86/75/12/1025867512.db2.gz PEZFETOFKLLPTN-DCAQKATOSA-N -1 0 320.349 -0.108 20 0 DBADRM COC(=O)c1oc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])cc1C ZINC001571149900 1025868130 /nfs/dbraw/zinc/86/81/30/1025868130.db2.gz PBNPVJXSQRRKOW-NSHDSACASA-N -1 0 321.307 -0.511 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCn2ccnc2)CC1 ZINC001571149079 1025868371 /nfs/dbraw/zinc/86/83/71/1025868371.db2.gz LHKVMHUUBYTMML-NWDGAFQWSA-N -1 0 320.349 -0.335 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])n(C)n1 ZINC001571149990 1025868704 /nfs/dbraw/zinc/86/87/04/1025868704.db2.gz SLKQLWRJTFZFFM-QMMMGPOBSA-N -1 0 321.293 -0.645 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001571148991 1025869483 /nfs/dbraw/zinc/86/94/83/1025869483.db2.gz IIFLQWBFGNVWKR-MRVPVSSYSA-N -1 0 320.367 -0.964 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001571150539 1025869909 /nfs/dbraw/zinc/86/99/09/1025869909.db2.gz JCMBIVSMNNEMMA-XKNYDFJKSA-N -1 0 321.337 -0.542 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(Cc2noc3c2COCC3)C1 ZINC001571150299 1025869936 /nfs/dbraw/zinc/86/99/36/1025869936.db2.gz DUYLORYNMULFFA-ZJUUUORDSA-N -1 0 321.333 -0.232 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cc(C(C)(C)C)n2ncnc2n1)C(=O)[O-] ZINC001571150393 1025870302 /nfs/dbraw/zinc/87/03/02/1025870302.db2.gz HWKJUUCJHAGRNM-XCBNKYQSSA-N -1 0 321.337 -0.014 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001571150695 1025870640 /nfs/dbraw/zinc/87/06/40/1025870640.db2.gz LAHITXVFNOPPKW-KMIYQGBJSA-N -1 0 321.333 -0.237 20 0 DBADRM Cc1c(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nnn1C ZINC001571150746 1025870825 /nfs/dbraw/zinc/87/08/25/1025870825.db2.gz MACWFYBSOXEAKC-NXEZZACHSA-N -1 0 321.337 -0.871 20 0 DBADRM C[C@@H]1CN(C(=O)NCC(=O)N=S(C)(C)=O)C[C@@H](C(=O)[O-])O1 ZINC001571150812 1025871032 /nfs/dbraw/zinc/87/10/32/1025871032.db2.gz NQHCYWPJHAWVTK-SFYZADRCSA-N -1 0 321.355 -0.876 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)CCc2ccon2)CC1 ZINC001571150573 1025871084 /nfs/dbraw/zinc/87/10/84/1025871084.db2.gz JXJTVKSHVFSBDG-NEPJUHHUSA-N -1 0 321.333 -0.001 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001571151162 1025871106 /nfs/dbraw/zinc/87/11/06/1025871106.db2.gz ROLFRLQHUSCGAD-XKNYDFJKSA-N -1 0 321.337 -0.840 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)Cc2nc[nH]n2)CC1 ZINC001571151112 1025871364 /nfs/dbraw/zinc/87/13/64/1025871364.db2.gz QZWCIDRWRFDXSQ-UWVGGRQHSA-N -1 0 321.337 -0.825 20 0 DBADRM CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001571150503 1025871404 /nfs/dbraw/zinc/87/14/04/1025871404.db2.gz IFYYSRSNSGJTFJ-QCLAVDOMSA-N -1 0 321.337 -0.604 20 0 DBADRM CNC(=O)C1(NC(=O)Cc2ccc(C(=O)[O-])nc2)CCOCC1 ZINC001571151437 1025871828 /nfs/dbraw/zinc/87/18/28/1025871828.db2.gz WIWMPXFBDLLWFM-UHFFFAOYSA-N -1 0 321.333 -0.266 20 0 DBADRM CN1CC[C@@H](NC(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)C1=O ZINC001571151390 1025872126 /nfs/dbraw/zinc/87/21/26/1025872126.db2.gz VPZBHHMSYFDHTA-RKDXNWHRSA-N -1 0 321.337 -0.054 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001571153176 1025872578 /nfs/dbraw/zinc/87/25/78/1025872578.db2.gz LQTKLGMJGNRHAW-LLVKDONJSA-N -1 0 322.321 -0.107 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)[C@]2(O)CCOC2)cc1 ZINC001571153473 1025872662 /nfs/dbraw/zinc/87/26/62/1025872662.db2.gz OPGZJNMSMYGRJY-HNNXBMFYSA-N -1 0 322.317 -0.480 20 0 DBADRM COCCn1ccc(C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])n1 ZINC001571151261 1025872672 /nfs/dbraw/zinc/87/26/72/1025872672.db2.gz UNCXQFRQHFFXQU-AWEZNQCLSA-N -1 0 321.337 -0.001 20 0 DBADRM COCCn1ccc(C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])n1 ZINC001571151262 1025872962 /nfs/dbraw/zinc/87/29/62/1025872962.db2.gz UNCXQFRQHFFXQU-CQSZACIVSA-N -1 0 321.337 -0.001 20 0 DBADRM Cn1cnc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001571151532 1025873205 /nfs/dbraw/zinc/87/32/05/1025873205.db2.gz ZOOCPVRUGWWLSN-KYXWUPHJSA-N -1 0 321.337 -0.840 20 0 DBADRM Cc1cc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)no1 ZINC001571151201 1025873248 /nfs/dbraw/zinc/87/32/48/1025873248.db2.gz SINJRBDGYMRMJD-NEPJUHHUSA-N -1 0 321.333 -0.083 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001571153736 1025873607 /nfs/dbraw/zinc/87/36/07/1025873607.db2.gz QJRHIIQMYYEXOR-OAHLLOKOSA-N -1 0 322.317 -0.527 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(CC(=O)Nc2ccon2)C1 ZINC001571154086 1025873619 /nfs/dbraw/zinc/87/36/19/1025873619.db2.gz UKKCYASCMCTHJO-ZJUUUORDSA-N -1 0 322.321 -0.618 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cnn3c2NCCC3)C[C@@H]1C(=O)[O-] ZINC001571153726 1025874091 /nfs/dbraw/zinc/87/40/91/1025874091.db2.gz QJQLLORZSPMNGP-UWVGGRQHSA-N -1 0 322.321 -0.356 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C[C@H](O)C1(O)CCCC1 ZINC001571153878 1025874187 /nfs/dbraw/zinc/87/41/87/1025874187.db2.gz GBOIGCOTCBFVQX-MNOVXSKESA-N -1 0 321.395 -0.774 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001571153775 1025874357 /nfs/dbraw/zinc/87/43/57/1025874357.db2.gz DBRCJPKZNBPCHW-SECBINFHSA-N -1 0 321.380 -0.361 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnsn1 ZINC001571153813 1025874659 /nfs/dbraw/zinc/87/46/59/1025874659.db2.gz RQBCIBYFZSTALK-BGJNVIQHSA-N -1 0 322.346 -0.555 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)C1CCN(C(=O)[O-])CC1)C(N)=O ZINC001571158178 1025876081 /nfs/dbraw/zinc/87/60/81/1025876081.db2.gz HZIHAYWOYDYGPF-CQSZACIVSA-N -1 0 323.353 -0.367 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)CC2 ZINC001571156351 1025876198 /nfs/dbraw/zinc/87/61/98/1025876198.db2.gz SVRNSTUHOWNTAG-GXFFZTMASA-N -1 0 322.365 -0.396 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001571158384 1025876505 /nfs/dbraw/zinc/87/65/05/1025876505.db2.gz LITSXNORERYVSI-ZDUSSCGKSA-N -1 0 323.349 -0.351 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC001571155954 1025876638 /nfs/dbraw/zinc/87/66/38/1025876638.db2.gz IUGSMNQFZVJLOY-KBVBSXBZSA-N -1 0 322.383 -0.595 20 0 DBADRM CN(C)C(=O)NC1CCN(C(=O)c2cc(C(=O)[O-])nn2C)CC1 ZINC001571158280 1025876923 /nfs/dbraw/zinc/87/69/23/1025876923.db2.gz JVGFOKOHHSYHKX-UHFFFAOYSA-N -1 0 323.353 -0.006 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001571156395 1025876936 /nfs/dbraw/zinc/87/69/36/1025876936.db2.gz USQPRTKDPMOGLO-ZJUUUORDSA-N -1 0 322.383 -0.784 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@](C)(CO)C(=O)[O-] ZINC001571158089 1025877078 /nfs/dbraw/zinc/87/70/78/1025877078.db2.gz GPMMDRPFOJHMDK-VDDIYKPWSA-N -1 0 323.367 -0.527 20 0 DBADRM CC(C)[C@@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])N1CCCC1=O ZINC001571159142 1025877560 /nfs/dbraw/zinc/87/75/60/1025877560.db2.gz ZDDMJKAECVQPJS-JQWIXIFHSA-N -1 0 323.353 -0.506 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)no1 ZINC001571159203 1025878072 /nfs/dbraw/zinc/87/80/72/1025878072.db2.gz BXOJQGXUMQSMPI-QMMMGPOBSA-N -1 0 323.305 -0.524 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(S(=O)(=O)NCC(=O)[O-])CC1 ZINC001571158624 1025878174 /nfs/dbraw/zinc/87/81/74/1025878174.db2.gz QDTAXJYDCLGEKB-UHFFFAOYSA-N -1 0 323.371 -0.542 20 0 DBADRM O=C([O-])[C@@H](CC1CC1)NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001571159602 1025878602 /nfs/dbraw/zinc/87/86/02/1025878602.db2.gz KIFWVRFBYKVYCB-DTWKUNHWSA-N -1 0 323.309 -0.630 20 0 DBADRM O=C([O-])N1CCC(C(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)CC1 ZINC001571158431 1025878906 /nfs/dbraw/zinc/87/89/06/1025878906.db2.gz MMLYFQWXPDUMGQ-STQMWFEESA-N -1 0 323.349 -0.018 20 0 DBADRM COc1ccccc1[C@H](O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001571163180 1025879659 /nfs/dbraw/zinc/87/96/59/1025879659.db2.gz FZKDYMOBGOBOOS-AWEZNQCLSA-N -1 0 324.333 -0.174 20 0 DBADRM COc1ccc(CNC(=O)NCCC(=O)NCCC(=O)[O-])nc1 ZINC001571162984 1025879760 /nfs/dbraw/zinc/87/97/60/1025879760.db2.gz BBCNRQRPKHVTBH-UHFFFAOYSA-N -1 0 324.337 -0.130 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2nccn(C)c2=O)C[C@@H]1C(=O)[O-] ZINC001571163624 1025880504 /nfs/dbraw/zinc/88/05/04/1025880504.db2.gz ONMJNAGDBJNWFU-YUMQZZPRSA-N -1 0 324.293 -0.882 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)NCC[C@H](O)C(=O)[O-])CCC2=O)cn1 ZINC001571163409 1025880659 /nfs/dbraw/zinc/88/06/59/1025880659.db2.gz KVPZXJOOVYHUQX-KOLCDFICSA-N -1 0 324.337 -0.885 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2nccn(C)c2=O)C[C@H]1C(=O)[O-] ZINC001571163621 1025880814 /nfs/dbraw/zinc/88/08/14/1025880814.db2.gz ONMJNAGDBJNWFU-HTQZYQBOSA-N -1 0 324.293 -0.882 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N[C@H](CC1OCCO1)C(=O)[O-])CC2 ZINC001571163376 1025880989 /nfs/dbraw/zinc/88/09/89/1025880989.db2.gz KDGDHMJLHNMZQI-NXEZZACHSA-N -1 0 324.337 -0.519 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCc3nnnn3CC2)C1 ZINC001571166676 1025882045 /nfs/dbraw/zinc/88/20/45/1025882045.db2.gz ZDIQIFNCTHUFHH-NOZJJQNGSA-N -1 0 324.341 -0.737 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2cnns2)C1 ZINC001571164764 1025883203 /nfs/dbraw/zinc/88/32/03/1025883203.db2.gz FDVVEPQSIGRHLU-XAVMHZPKSA-N -1 0 324.362 -0.117 20 0 DBADRM O=C(C[C@@H]1C=CCCC1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001571432805 1025991281 /nfs/dbraw/zinc/99/12/81/1025991281.db2.gz VXCDBJDGCSJOAS-GHMZBOCLSA-N -1 0 309.370 -0.177 20 0 DBADRM C/C=C(/C)C(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001571818643 1026187673 /nfs/dbraw/zinc/18/76/73/1026187673.db2.gz OBCOOXQRFWDLNP-GRKOMRHMSA-N -1 0 309.326 -0.174 20 0 DBADRM C/C=C(/C)C(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001571818645 1026188331 /nfs/dbraw/zinc/18/83/31/1026188331.db2.gz OBCOOXQRFWDLNP-TVSKSKRASA-N -1 0 309.326 -0.174 20 0 DBADRM CNC(=O)CC(=O)N[C@H]1C[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001573138561 1026533519 /nfs/dbraw/zinc/53/35/19/1026533519.db2.gz LSVBHOMJVJSNAZ-DTORHVGOSA-N -1 0 323.353 -0.816 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001573349361 1026552213 /nfs/dbraw/zinc/55/22/13/1026552213.db2.gz NQXZPFUNWPVIPF-AWEZNQCLSA-N -1 0 321.333 -0.511 20 0 DBADRM CC(=O)NCCNC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001573352353 1026553905 /nfs/dbraw/zinc/55/39/05/1026553905.db2.gz DMBMVZSVJNSZLC-CVZZAPKMSA-N -1 0 313.354 -0.166 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1conc1C ZINC001573349248 1026554518 /nfs/dbraw/zinc/55/45/18/1026554518.db2.gz MBSPKCSYJSDJJS-QMMMGPOBSA-N -1 0 319.339 -0.417 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1nc(C(=O)[O-])c(C)s1 ZINC001573375905 1026558283 /nfs/dbraw/zinc/55/82/83/1026558283.db2.gz SDAKEAJYQKTDQJ-UHFFFAOYSA-N -1 0 314.323 -0.659 20 0 DBADRM C[C@@H](C(=O)[O-])C1CN(C(=O)NCC(=O)N=S(C)(C)=O)C1 ZINC001573398043 1026561393 /nfs/dbraw/zinc/56/13/93/1026561393.db2.gz CMSWWLUMDYYJAI-SSDOTTSWSA-N -1 0 305.356 -0.397 20 0 DBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)NCCOCCOCC(=O)[O-] ZINC001573390893 1026561403 /nfs/dbraw/zinc/56/14/03/1026561403.db2.gz OBRYLHPBEOIJQT-SNVBAGLBSA-N -1 0 319.358 -0.697 20 0 DBADRM CC(=O)C1CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)CC1 ZINC001573393003 1026561467 /nfs/dbraw/zinc/56/14/67/1026561467.db2.gz OSBSGUQCVSGQPN-UHFFFAOYSA-N -1 0 309.326 -0.013 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-] ZINC001573398118 1026561651 /nfs/dbraw/zinc/56/16/51/1026561651.db2.gz DLTBTZOSEDLBJD-QEYWKRMJSA-N -1 0 304.368 -0.270 20 0 DBADRM CC(=O)c1cncc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)c1 ZINC001573397235 1026562172 /nfs/dbraw/zinc/56/21/72/1026562172.db2.gz IKMGWJCABIXHBJ-VXGBXAGGSA-N -1 0 307.306 -0.015 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1)n1cncn1 ZINC001573398002 1026562184 /nfs/dbraw/zinc/56/21/84/1026562184.db2.gz BPHBDJHSRJVNKA-JLTPVHFHSA-N -1 0 314.367 -0.337 20 0 DBADRM CC(=O)CCCC(=O)N1CC[C@H](CNC(=O)CNC(=O)[O-])C1 ZINC001573399974 1026563096 /nfs/dbraw/zinc/56/30/96/1026563096.db2.gz NVLXEYUROSLIOC-LLVKDONJSA-N -1 0 313.354 -0.022 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)Nc1cc(C(=O)[O-])n[nH]1)n1cccn1 ZINC001573400549 1026563122 /nfs/dbraw/zinc/56/31/22/1026563122.db2.gz YTONFKFYXOUERX-MRVPVSSYSA-N -1 0 320.309 -0.038 20 0 DBADRM C[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C1)n1cnc2c1ncnc2N ZINC001573399239 1026563634 /nfs/dbraw/zinc/56/36/34/1026563634.db2.gz LVFHWYAODGKPDH-YUMQZZPRSA-N -1 0 304.310 -0.097 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H](c2n[nH]cc2C(=O)[O-])C1)S(C)(=O)=O ZINC001573400076 1026563758 /nfs/dbraw/zinc/56/37/58/1026563758.db2.gz SJHXQIMAJMKGTB-JGVFFNPUSA-N -1 0 315.351 -0.143 20 0 DBADRM CC(=O)N(C)CC(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CC1 ZINC001573401111 1026564038 /nfs/dbraw/zinc/56/40/38/1026564038.db2.gz AAEODFYJYNFFEY-UHFFFAOYSA-N -1 0 321.337 -0.286 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)N[C@@H]2COCC[C@H]2O)cn1 ZINC001573408385 1026564543 /nfs/dbraw/zinc/56/45/43/1026564543.db2.gz XPIZKENGFUPQNM-NXEZZACHSA-N -1 0 312.326 -0.026 20 0 DBADRM CC(=O)N1CCC(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CC1 ZINC001573409802 1026564826 /nfs/dbraw/zinc/56/48/26/1026564826.db2.gz GXLDEJRLJKAFJB-NSHDSACASA-N -1 0 309.326 -0.894 20 0 DBADRM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001573404132 1026565135 /nfs/dbraw/zinc/56/51/35/1026565135.db2.gz ZFNAWJUPSWOWSC-SNVBAGLBSA-N -1 0 321.337 -0.912 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573402156 1026565533 /nfs/dbraw/zinc/56/55/33/1026565533.db2.gz HTQIBEPTEKNDEM-SECBINFHSA-N -1 0 323.353 -0.183 20 0 DBADRM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001573404131 1026565563 /nfs/dbraw/zinc/56/55/63/1026565563.db2.gz ZFNAWJUPSWOWSC-JTQLQIEISA-N -1 0 321.337 -0.912 20 0 DBADRM CC(C)(C)OC(=O)[C@]1(C(=O)NC[C@](C)(O)C(=O)[O-])CCCO1 ZINC001573406882 1026565911 /nfs/dbraw/zinc/56/59/11/1026565911.db2.gz IIFHMNJYMGYIDG-UONOGXRCSA-N -1 0 317.338 -0.171 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)CNC(=O)[O-])CC2(CCOCC2)C1 ZINC001573410268 1026566043 /nfs/dbraw/zinc/56/60/43/1026566043.db2.gz NBDCELIAVSHSLM-LLVKDONJSA-N -1 0 313.354 -0.212 20 0 DBADRM CC(=O)N1CC(C(=O)NCCN(C)c2ncc(C(=O)[O-])cn2)C1 ZINC001573410185 1026566054 /nfs/dbraw/zinc/56/60/54/1026566054.db2.gz KJLMYZMWOOXLCG-UHFFFAOYSA-N -1 0 321.337 -0.795 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573407350 1026566316 /nfs/dbraw/zinc/56/63/16/1026566316.db2.gz IXOKLXHOUSUGES-ZJUUUORDSA-N -1 0 315.370 -0.374 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])C1 ZINC001573411060 1026567004 /nfs/dbraw/zinc/56/70/04/1026567004.db2.gz HYPCTHWGOYOKAM-MNOVXSKESA-N -1 0 314.338 -0.423 20 0 DBADRM CC(=O)N1CCC[C@H](n2cc(CNC(=O)CNC(=O)[O-])nn2)C1 ZINC001573411509 1026568226 /nfs/dbraw/zinc/56/82/26/1026568226.db2.gz SDZKUZDLIYYGRP-NSHDSACASA-N -1 0 324.341 -0.655 20 0 DBADRM CC(=O)N[C@@](C)(C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])C(C)C ZINC001573417129 1026568264 /nfs/dbraw/zinc/56/82/64/1026568264.db2.gz FBPOMXVXOBEVPV-GXFFZTMASA-N -1 0 311.342 -0.602 20 0 DBADRM CC(=O)N1CC(C(=O)NC[C@@H](C)Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573410816 1026568356 /nfs/dbraw/zinc/56/83/56/1026568356.db2.gz VWVDFUUAABXOJD-MRVPVSSYSA-N -1 0 321.337 -0.430 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N(C)[C@H](C)CNC(=O)CNC(=O)[O-] ZINC001573417625 1026568374 /nfs/dbraw/zinc/56/83/74/1026568374.db2.gz KJKSFRLZJGOXNC-MRVPVSSYSA-N -1 0 316.358 -0.868 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001573422063 1026568831 /nfs/dbraw/zinc/56/88/31/1026568831.db2.gz PAXOCBQYNSRQFG-IUCAKERBSA-N -1 0 323.353 -0.715 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CCNc1ccnc(C(=O)[O-])n1 ZINC001573420307 1026569546 /nfs/dbraw/zinc/56/95/46/1026569546.db2.gz ADAXEYSVCCTYLW-BDAKNGLRSA-N -1 0 323.353 -0.572 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001573420907 1026569646 /nfs/dbraw/zinc/56/96/46/1026569646.db2.gz GFAATDIUEOVQPG-SFYZADRCSA-N -1 0 309.326 -0.962 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@@H](CNC(=O)CNC(=O)[O-])C(C)C ZINC001573422457 1026569673 /nfs/dbraw/zinc/56/96/73/1026569673.db2.gz PZPVMEMUPOTKIC-SCZZXKLOSA-N -1 0 316.358 -0.964 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)CNC(=O)[O-])C(C)C ZINC001573422458 1026569994 /nfs/dbraw/zinc/56/99/94/1026569994.db2.gz PZPVMEMUPOTKIC-WCBMZHEXSA-N -1 0 316.358 -0.964 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001573420315 1026570073 /nfs/dbraw/zinc/57/00/73/1026570073.db2.gz AEZHJRZSGHVGHQ-ZJUUUORDSA-N -1 0 313.354 -0.804 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)NC(=O)CNC(=O)[O-] ZINC001573421783 1026570174 /nfs/dbraw/zinc/57/01/74/1026570174.db2.gz MIPOMBGZYKJRIH-YUMQZZPRSA-N -1 0 316.358 -0.822 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)CCN(C)c1ccnc(C(=O)[O-])n1 ZINC001573422147 1026570187 /nfs/dbraw/zinc/57/01/87/1026570187.db2.gz PPXICUAMUOLQAY-SECBINFHSA-N -1 0 323.353 -0.406 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)[C@@H]1C ZINC001573428017 1026570883 /nfs/dbraw/zinc/57/08/83/1026570883.db2.gz ONWXKKSULSWDQC-WCBMZHEXSA-N -1 0 321.337 -0.866 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NCC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001573423593 1026571497 /nfs/dbraw/zinc/57/14/97/1026571497.db2.gz ZPJOPMHYJAXMNK-IUCAKERBSA-N -1 0 323.353 -0.572 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)/C=C\C(=O)[O-] ZINC001573427637 1026571608 /nfs/dbraw/zinc/57/16/08/1026571608.db2.gz DAYZDQWFSWRWPX-RDOIKZAQSA-N -1 0 311.338 -0.741 20 0 DBADRM CC(=O)N[C@@H]1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC001573427869 1026571654 /nfs/dbraw/zinc/57/16/54/1026571654.db2.gz LFOSCTKPIZJQKK-SNVBAGLBSA-N -1 0 304.368 -0.219 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573422989 1026571776 /nfs/dbraw/zinc/57/17/76/1026571776.db2.gz VLJUKBAXMZVFID-SFYZADRCSA-N -1 0 309.326 -0.384 20 0 DBADRM CC(=O)N[C@@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001573427759 1026571863 /nfs/dbraw/zinc/57/18/63/1026571863.db2.gz HZQILGOCALERHH-SNVBAGLBSA-N -1 0 306.322 -0.071 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)CNC(=O)[O-] ZINC001573423576 1026572090 /nfs/dbraw/zinc/57/20/90/1026572090.db2.gz ZDCQHEATUCYZLV-QMMMGPOBSA-N -1 0 316.358 -0.868 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NCC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001573423592 1026572111 /nfs/dbraw/zinc/57/21/11/1026572111.db2.gz ZPJOPMHYJAXMNK-DTWKUNHWSA-N -1 0 323.353 -0.572 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@@H](CNc2ncc(C(=O)[O-])cn2)C1 ZINC001573428448 1026572683 /nfs/dbraw/zinc/57/26/83/1026572683.db2.gz XFNCDCUUEPHOSP-JTQLQIEISA-N -1 0 321.337 -0.429 20 0 DBADRM CC(=O)NCC(=O)N(CCN(C)C(=O)CNC(=O)[O-])C(C)C ZINC001573428432 1026573068 /nfs/dbraw/zinc/57/30/68/1026573068.db2.gz XAGYVGOYXSOJDX-UHFFFAOYSA-N -1 0 316.358 -0.915 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001573429444 1026573414 /nfs/dbraw/zinc/57/34/14/1026573414.db2.gz IHNJOKIKRAVMSG-UHFFFAOYSA-N -1 0 319.317 -0.474 20 0 DBADRM CC(=O)NCC(=O)NC[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001573429031 1026573481 /nfs/dbraw/zinc/57/34/81/1026573481.db2.gz AYKBWLFAKVUSIV-JTQLQIEISA-N -1 0 321.337 -0.747 20 0 DBADRM CC(=O)NCC(=O)NC[C@H](Nc1ccnc(C(=O)[O-])n1)C(C)C ZINC001573430188 1026573633 /nfs/dbraw/zinc/57/36/33/1026573633.db2.gz PJEUOSBPAPIBGF-JTQLQIEISA-N -1 0 323.353 -0.715 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001573430497 1026574030 /nfs/dbraw/zinc/57/40/30/1026574030.db2.gz QZQUSQLNYBHAFS-LLVKDONJSA-N -1 0 313.354 -0.612 20 0 DBADRM CC(=O)N[C@@H](C(=O)NC[C@@H](C)NC(=O)CNC(=O)[O-])C(C)C ZINC001573436512 1026574841 /nfs/dbraw/zinc/57/48/41/1026574841.db2.gz RHZSJSYWAZWNMK-LDYMZIIASA-N -1 0 316.358 -0.964 20 0 DBADRM CC(=O)N[C@@H](CSc1nccc(S(C)(=O)=O)n1)C(=O)[O-] ZINC001573436695 1026575210 /nfs/dbraw/zinc/57/52/10/1026575210.db2.gz SKPOKJNVQPUJQT-ZETCQYMHSA-N -1 0 319.364 -0.439 20 0 DBADRM CC(=O)NCC(=O)NC[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001573430951 1026575362 /nfs/dbraw/zinc/57/53/62/1026575362.db2.gz XIKOOACJNUCMFL-JTQLQIEISA-N -1 0 321.337 -0.747 20 0 DBADRM CC(=O)NCc1cccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC001573435988 1026576006 /nfs/dbraw/zinc/57/60/06/1026576006.db2.gz MAWXEBSKVOQZIV-OLZOCXBDSA-N -1 0 306.318 -0.017 20 0 DBADRM CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(C)(C)C ZINC001573436460 1026576011 /nfs/dbraw/zinc/57/60/11/1026576011.db2.gz QMNHBFHRJQAHEV-OYNCUSHFSA-N -1 0 315.370 -0.369 20 0 DBADRM CC(=O)NCc1cn([C@H]2CCCN(C(=O)CNC(=O)[O-])C2)nn1 ZINC001573436057 1026576236 /nfs/dbraw/zinc/57/62/36/1026576236.db2.gz FYLQXYZBHSURRH-NSHDSACASA-N -1 0 324.341 -0.655 20 0 DBADRM CC(=O)Nc1ccc(CNC(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001573448392 1026577140 /nfs/dbraw/zinc/57/71/40/1026577140.db2.gz UVQJISMAJOCOHI-UHFFFAOYSA-N -1 0 307.306 -0.014 20 0 DBADRM CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)[C@@H](O)CC(=O)[O-] ZINC001573459764 1026577377 /nfs/dbraw/zinc/57/73/77/1026577377.db2.gz IXPBYTGAJPUUEI-SFYZADRCSA-N -1 0 304.368 -0.362 20 0 DBADRM CC(=O)Nc1ccc(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001573448946 1026578180 /nfs/dbraw/zinc/57/81/80/1026578180.db2.gz LXPMWXMVPGMKSE-UHFFFAOYSA-N -1 0 314.319 -0.535 20 0 DBADRM CC(C)(CC(=O)[O-])CC(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001573476622 1026578824 /nfs/dbraw/zinc/57/88/24/1026578824.db2.gz KQBWZAJWIDDZMN-GFCCVEGCSA-N -1 0 307.368 -0.457 20 0 DBADRM CC(C)(CNS(=O)(=O)C1(C(=O)[O-])CCC1)S(C)(=O)=O ZINC001573481939 1026579306 /nfs/dbraw/zinc/57/93/06/1026579306.db2.gz JEXQLLWAUXDVNO-UHFFFAOYSA-N -1 0 313.397 -0.264 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CSC[C@@H]1C(=O)[O-] ZINC001573468975 1026579757 /nfs/dbraw/zinc/57/97/57/1026579757.db2.gz VBHIWCOPIASPRO-HTQZYQBOSA-N -1 0 320.367 -0.142 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])[C@@H](O)C1 ZINC001573465695 1026579974 /nfs/dbraw/zinc/57/99/74/1026579974.db2.gz VGXXCDUGUJQSPZ-KYXWUPHJSA-N -1 0 314.338 -0.197 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CSC[C@H]1C(=O)[O-] ZINC001573468976 1026580151 /nfs/dbraw/zinc/58/01/51/1026580151.db2.gz VBHIWCOPIASPRO-SFYZADRCSA-N -1 0 320.367 -0.142 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CNC(=O)[O-])[C@@H](O)C1 ZINC001573465730 1026580344 /nfs/dbraw/zinc/58/03/44/1026580344.db2.gz WXJUGKWISYZSBG-BDAKNGLRSA-N -1 0 317.342 -0.260 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001573494900 1026581623 /nfs/dbraw/zinc/58/16/23/1026581623.db2.gz QYMKPHJAYDAXBD-ZANVPECISA-N -1 0 315.326 -0.384 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC001573492946 1026581634 /nfs/dbraw/zinc/58/16/34/1026581634.db2.gz JIBPFVQNUIPHCL-ZJUUUORDSA-N -1 0 306.384 -0.070 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C1CN(S(C)(=O)=O)C1)NC(=O)[O-] ZINC001573503199 1026582045 /nfs/dbraw/zinc/58/20/45/1026582045.db2.gz WJCQAJZYORCABD-JTQLQIEISA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001573494895 1026582185 /nfs/dbraw/zinc/58/21/85/1026582185.db2.gz QYMKPHJAYDAXBD-NOZJJQNGSA-N -1 0 315.326 -0.384 20 0 DBADRM CC(C)C[C@](C)(CNC(=O)[C@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC001573491301 1026582746 /nfs/dbraw/zinc/58/27/46/1026582746.db2.gz KGERRPMHADFLRZ-BXKDBHETSA-N -1 0 306.384 -0.069 20 0 DBADRM CC(C)OCCS(=O)(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573523371 1026583578 /nfs/dbraw/zinc/58/35/78/1026583578.db2.gz DGEUILNZWWYNDR-NXEZZACHSA-N -1 0 310.372 -0.699 20 0 DBADRM CC(C)OCCS(=O)(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573523381 1026583891 /nfs/dbraw/zinc/58/38/91/1026583891.db2.gz DGEUILNZWWYNDR-VHSXEESVSA-N -1 0 310.372 -0.699 20 0 DBADRM CC(C)CN1C[C@@H]2CN(C(=O)[C@@H](O)CC(=O)[O-])CCN2C1=O ZINC001573516078 1026584474 /nfs/dbraw/zinc/58/44/74/1026584474.db2.gz KHFDFOUOQAXQPK-QWRGUYRKSA-N -1 0 313.354 -0.574 20 0 DBADRM CC(C)C[C@@H](NC(=O)[C@H](O)C(C)(C)O)c1nc(C(=O)[O-])n[nH]1 ZINC001573506648 1026584789 /nfs/dbraw/zinc/58/47/89/1026584789.db2.gz SOZZMIDNSTXNDH-SFYZADRCSA-N -1 0 314.342 -0.162 20 0 DBADRM CC(C)CN(CC(=O)[O-])S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001573510954 1026584882 /nfs/dbraw/zinc/58/48/82/1026584882.db2.gz LVUKOLBGIIHVDU-UHFFFAOYSA-N -1 0 319.339 -0.783 20 0 DBADRM CC(C)c1nc(CCNS(=O)(=O)CCC(=O)[O-])n(C)n1 ZINC001573533248 1026586922 /nfs/dbraw/zinc/58/69/22/1026586922.db2.gz MKLDUKNXHHHULX-UHFFFAOYSA-N -1 0 304.372 -0.125 20 0 DBADRM C[C@@H](NC(=O)C[C@H](C)NC(N)=O)C1(C(=O)[O-])CCOCC1 ZINC001573535572 1026586934 /nfs/dbraw/zinc/58/69/34/1026586934.db2.gz ODEBHLRAURDFIG-DTWKUNHWSA-N -1 0 301.343 -0.181 20 0 DBADRM CC(C)O[C@@]1(CNC(=O)c2cn(CC(=O)[O-])nn2)CCOC1 ZINC001573549700 1026588571 /nfs/dbraw/zinc/58/85/71/1026588571.db2.gz NGOSPWFFZDMOGU-CYBMUJFWSA-N -1 0 312.326 -0.323 20 0 DBADRM C[C@H](CNS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001573550691 1026589287 /nfs/dbraw/zinc/58/92/87/1026589287.db2.gz HNDMTJMIZLZCBE-RKDXNWHRSA-N -1 0 313.397 -0.549 20 0 DBADRM CC(CO)(CO)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC001573549899 1026589966 /nfs/dbraw/zinc/58/99/66/1026589966.db2.gz CBYHEEOHJKGWMY-GFCCVEGCSA-N -1 0 310.350 -0.028 20 0 DBADRM CC(C)OCc1nc([C@@H](C)NCC(=O)NCC(=O)[O-])no1 ZINC001573554896 1026590808 /nfs/dbraw/zinc/59/08/08/1026590808.db2.gz LBOPZZNJQMDPIP-MRVPVSSYSA-N -1 0 300.315 -0.154 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573554709 1026591306 /nfs/dbraw/zinc/59/13/06/1026591306.db2.gz ZFEUDBZRMXDOGK-AEJSXWLSSA-N -1 0 315.370 -0.376 20 0 DBADRM C[C@@H](NC(=O)C1(n2cnnn2)CC1)C1(C(=O)[O-])CCOCC1 ZINC001573559986 1026591846 /nfs/dbraw/zinc/59/18/46/1026591846.db2.gz NIDFZORDFURSFH-SECBINFHSA-N -1 0 309.326 -0.452 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)CCCCS(N)(=O)=O)C(=O)[O-] ZINC001573558933 1026592083 /nfs/dbraw/zinc/59/20/83/1026592083.db2.gz ZKVMSAKYPONYGH-MRVPVSSYSA-N -1 0 316.401 -0.916 20 0 DBADRM C[C@@H](NC(=O)N1C[C@H](C(=O)[O-])C2(COC2)C1)c1nnnn1C ZINC001573563610 1026592929 /nfs/dbraw/zinc/59/29/29/1026592929.db2.gz WKJQWRMOIUPPNL-HTQZYQBOSA-N -1 0 310.314 -0.986 20 0 DBADRM C[C@@H](NC(=O)CNC(=O)c1ccncc1)c1nc(C(=O)[O-])n[nH]1 ZINC001573560996 1026593181 /nfs/dbraw/zinc/59/31/81/1026593181.db2.gz AQSFFVWVVZWDOJ-SSDOTTSWSA-N -1 0 318.293 -0.495 20 0 DBADRM C[C@H](NC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO)c1ccn(C)n1 ZINC001573563122 1026593421 /nfs/dbraw/zinc/59/34/21/1026593421.db2.gz RZBTZCOBKAZLGA-NGZCFLSTSA-N -1 0 311.342 -0.249 20 0 DBADRM C[C@@H](NC(=O)Cn1cc(C2CC2)nn1)c1nc(C(=O)[O-])n[nH]1 ZINC001573561795 1026594342 /nfs/dbraw/zinc/59/43/42/1026594342.db2.gz IQZQLQVNRWVAGM-ZCFIWIBFSA-N -1 0 305.298 -0.151 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccn2nccc2n1)C(=O)[O-] ZINC001573560676 1026594365 /nfs/dbraw/zinc/59/43/65/1026594365.db2.gz WNSMTAMHALCJOC-HTQZYQBOSA-N -1 0 305.294 -0.563 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1cc(C(=O)[O-])no1 ZINC001573580241 1026595025 /nfs/dbraw/zinc/59/50/25/1026595025.db2.gz CMOZCJYXIFWHNC-LHLIQPBNSA-N -1 0 311.294 -0.735 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1cc(C(=O)[O-])no1 ZINC001573580243 1026596393 /nfs/dbraw/zinc/59/63/93/1026596393.db2.gz CMOZCJYXIFWHNC-QUBYGPBYSA-N -1 0 311.294 -0.735 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)c2ccnc3c(C(=O)[O-])cnn32)CCO1 ZINC001573582308 1026597369 /nfs/dbraw/zinc/59/73/69/1026597369.db2.gz MFMSRXQGLQCFBU-KWQFWETISA-N -1 0 320.305 -0.351 20 0 DBADRM C[C@](O)(CNC(=O)Nc1ccc(S(C)(=O)=O)cn1)C(=O)[O-] ZINC001573583981 1026597722 /nfs/dbraw/zinc/59/77/22/1026597722.db2.gz XOXLPEUKEAKQKF-NSHDSACASA-N -1 0 317.323 -0.558 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)c2ccnc3c(C(=O)[O-])cnn32)CCO1 ZINC001573582298 1026597975 /nfs/dbraw/zinc/59/79/75/1026597975.db2.gz MFMSRXQGLQCFBU-GZMMTYOYSA-N -1 0 320.305 -0.351 20 0 DBADRM C[C@H](O)CN(CCO)C(=O)Nc1ncc(CC(=O)[O-])s1 ZINC001573581767 1026597995 /nfs/dbraw/zinc/59/79/95/1026597995.db2.gz KNUULHWLNWMBHE-ZETCQYMHSA-N -1 0 303.340 -0.023 20 0 DBADRM C[C@H](c1nnnn1C)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001573590889 1026598778 /nfs/dbraw/zinc/59/87/78/1026598778.db2.gz YRIKPIMHMVTKCP-ZPWHCFADSA-N -1 0 301.372 -0.431 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(C(=O)CC2SC(=N)NC2=O)CCO1 ZINC001573602252 1026600441 /nfs/dbraw/zinc/60/04/41/1026600441.db2.gz UHOXMJLBLJJJQE-KBUNVGBDSA-N -1 0 301.324 -0.755 20 0 DBADRM CC1(C)CNC(=O)[C@H]1NC(=O)Nc1nnc(CC(=O)[O-])s1 ZINC001573612652 1026601765 /nfs/dbraw/zinc/60/17/65/1026601765.db2.gz FYBMMFMCTAOTFC-SSDOTTSWSA-N -1 0 313.339 -0.189 20 0 DBADRM CC1(C)COC(=O)[C@@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573614080 1026602127 /nfs/dbraw/zinc/60/21/27/1026602127.db2.gz FTHYXMQOGTVQLT-LURJTMIESA-N -1 0 303.296 -0.662 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001573626535 1026602879 /nfs/dbraw/zinc/60/28/79/1026602879.db2.gz PTXBMXRUTQHZLG-SECBINFHSA-N -1 0 313.335 -0.189 20 0 DBADRM CC1=C(C(=O)N2CCC[C@@H](C(=O)[O-])C2)Cn2nnnc2N1C ZINC001573627288 1026603856 /nfs/dbraw/zinc/60/38/56/1026603856.db2.gz YNSICTYWCFNYLT-SECBINFHSA-N -1 0 306.326 -0.280 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)Nc1ncc(C(=O)[O-])n1C ZINC001573626985 1026603969 /nfs/dbraw/zinc/60/39/69/1026603969.db2.gz SRMKFZMQTKMVLF-ZETCQYMHSA-N -1 0 308.298 -0.248 20 0 DBADRM CC1=NO[C@@H](CNS(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC001573624476 1026604027 /nfs/dbraw/zinc/60/40/27/1026604027.db2.gz BJUOTXSTLDAZDZ-SECBINFHSA-N -1 0 306.344 -0.719 20 0 DBADRM C[C@]1([C@@H]2CCCN(C(=O)[C@@H](O)CC(=O)[O-])C2)COC(=O)N1 ZINC001573620496 1026604127 /nfs/dbraw/zinc/60/41/27/1026604127.db2.gz ZFJBIKNIZPYHNY-VYUIOLGVSA-N -1 0 300.311 -0.441 20 0 DBADRM C[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)C(=O)N1CCCC[C@H]1C ZINC001573626214 1026604264 /nfs/dbraw/zinc/60/42/64/1026604264.db2.gz ZCZNAUSNTDLKTE-ZJUUUORDSA-N -1 0 323.353 -0.118 20 0 DBADRM CC1=C(C(=O)N[C@H](CC2CC2)C(=O)[O-])Cn2nnnc2N1C ZINC001573625084 1026604394 /nfs/dbraw/zinc/60/43/94/1026604394.db2.gz HLGWJBWKOZYFKQ-SNVBAGLBSA-N -1 0 306.326 -0.234 20 0 DBADRM C[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C(=O)NC(C)(C)C ZINC001573625804 1026604425 /nfs/dbraw/zinc/60/44/25/1026604425.db2.gz ULUNZTWSFRBTOW-SECBINFHSA-N -1 0 323.349 -0.034 20 0 DBADRM C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1nccc(N)n1 ZINC001573630045 1026604693 /nfs/dbraw/zinc/60/46/93/1026604693.db2.gz GEFIQUFLSBDYQJ-YUMQZZPRSA-N -1 0 315.355 -0.497 20 0 DBADRM C[C@@H]1CN=C(N2CCN(C(=O)[C@@H](O)CC(=O)[O-])CC2)S1 ZINC001573653781 1026608208 /nfs/dbraw/zinc/60/82/08/1026608208.db2.gz CRZSRSCLPJLIJR-BDAKNGLRSA-N -1 0 301.368 -0.543 20 0 DBADRM C[C@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)c1nccnc1N ZINC001573655396 1026609266 /nfs/dbraw/zinc/60/92/66/1026609266.db2.gz UZBHGGNFILCBRP-ZETCQYMHSA-N -1 0 302.294 -0.002 20 0 DBADRM C[C@H]1Cn2nc(C(=O)[O-])cc2CN1CCCC(=O)NC(N)=O ZINC001573653551 1026609347 /nfs/dbraw/zinc/60/93/47/1026609347.db2.gz BHKWVCYQCOQOHE-QMMMGPOBSA-N -1 0 309.326 -0.240 20 0 DBADRM CCC(=O)N[C@@H](CCSC)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001573660390 1026610509 /nfs/dbraw/zinc/61/05/09/1026610509.db2.gz JEPDPMYLUASXJW-QPUJVOFHSA-N -1 0 306.384 -0.414 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573661955 1026610630 /nfs/dbraw/zinc/61/06/30/1026610630.db2.gz TWTGTGWQGANBQF-JLIMGVALSA-N -1 0 308.356 -0.946 20 0 DBADRM C[C@H]1C[C@H](NC(=O)NCCOCCOCC(=O)[O-])C(=O)O1 ZINC001573699718 1026623064 /nfs/dbraw/zinc/62/30/64/1026623064.db2.gz AJTACPRBWMBMSK-IUCAKERBSA-N -1 0 304.299 -0.893 20 0 DBADRM C[C@@]12CN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C[C@@]1(C)C(=O)NC2=O ZINC001573690025 1026621458 /nfs/dbraw/zinc/62/14/58/1026621458.db2.gz WCXVLZXOFRCGJX-QTGCHDBNSA-N -1 0 308.334 -0.002 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cn1ncn2nccc2c1=O ZINC001573713015 1026622132 /nfs/dbraw/zinc/62/21/32/1026622132.db2.gz XPTWVLFXJKSEGL-ZJUUUORDSA-N -1 0 319.321 -0.397 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N2CCC[C@H](NC(=O)[O-])C2)nn1 ZINC001573709222 1026622636 /nfs/dbraw/zinc/62/26/36/1026622636.db2.gz GGYNLKFWDDJAEV-VHSXEESVSA-N -1 0 311.342 -0.079 20 0 DBADRM CC[C@H](NC(=O)Nc1cccn(CC(=O)[O-])c1=O)C(=O)NC ZINC001573699792 1026623214 /nfs/dbraw/zinc/62/32/14/1026623214.db2.gz IXOGNCSZGMJCQS-QMMMGPOBSA-N -1 0 310.310 -0.421 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N[C@H](C)Cc1cn(C)nn1 ZINC001573724101 1026623446 /nfs/dbraw/zinc/62/34/46/1026623446.db2.gz DOBLYYGLFWEOHV-SCZZXKLOSA-N -1 0 304.372 -0.081 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573733206 1026624961 /nfs/dbraw/zinc/62/49/61/1026624961.db2.gz FZEBGWNUTVWSDK-UTLUCORTSA-N -1 0 316.358 -0.700 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NCCS(=O)(=O)N(C)C ZINC001573724684 1026625105 /nfs/dbraw/zinc/62/51/05/1026625105.db2.gz PFBQZJPFDVOLRM-QMMMGPOBSA-N -1 0 316.401 -0.950 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@H](C)CS(=O)(=O)CC ZINC001573724357 1026625132 /nfs/dbraw/zinc/62/51/32/1026625132.db2.gz JCNBIGXCCHJPKF-RKDXNWHRSA-N -1 0 315.413 -0.018 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NCc1nnc2n1CCOC2 ZINC001573724375 1026625373 /nfs/dbraw/zinc/62/53/73/1026625373.db2.gz JHPMWOUGQLEISL-MRVPVSSYSA-N -1 0 318.355 -0.519 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N1CCSC[C@H]1C(N)=O ZINC001573724269 1026625476 /nfs/dbraw/zinc/62/54/76/1026625476.db2.gz HSSFTXMTBLELNV-YUMQZZPRSA-N -1 0 310.397 -0.528 20 0 DBADRM CCC[C@H](CNC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O)C(=O)[O-] ZINC001573729789 1026625556 /nfs/dbraw/zinc/62/55/56/1026625556.db2.gz YYBLCKCWJZGSRR-JMJZKYOTSA-N -1 0 300.355 -0.121 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001573724649 1026625696 /nfs/dbraw/zinc/62/56/96/1026625696.db2.gz OMLLNISSBBPLGB-KXUCPTDWSA-N -1 0 320.367 0.000 20 0 DBADRM CCCN(C(=O)c1cn(CC(=O)N(C)C)nn1)[C@@H](C)C(=O)[O-] ZINC001573749741 1026627019 /nfs/dbraw/zinc/62/70/19/1026627019.db2.gz SZYJUHZTYATNJN-VIFPVBQESA-N -1 0 311.342 -0.308 20 0 DBADRM CCCN(Cc1nnc2c(=O)[nH]ccn12)[C@H](COC)C(=O)[O-] ZINC001573760669 1026627111 /nfs/dbraw/zinc/62/71/11/1026627111.db2.gz SOLFUXNKZKCCND-SECBINFHSA-N -1 0 309.326 -0.271 20 0 DBADRM CCCn1cc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)nn1 ZINC001573764802 1026627695 /nfs/dbraw/zinc/62/76/95/1026627695.db2.gz NIXNZSHEFIWVIO-NWDGAFQWSA-N -1 0 319.321 0.000 20 0 DBADRM CCCN(C(=O)Cn1ncn2nccc2c1=O)[C@@H](C)C(=O)[O-] ZINC001573743503 1026627842 /nfs/dbraw/zinc/62/78/42/1026627842.db2.gz BAVRHAJFYBWZIW-VIFPVBQESA-N -1 0 307.310 -0.397 20 0 DBADRM CCCN(C(=O)c1cn(CC(=O)N(C)C)nn1)[C@H](C)C(=O)[O-] ZINC001573749740 1026628139 /nfs/dbraw/zinc/62/81/39/1026628139.db2.gz SZYJUHZTYATNJN-SECBINFHSA-N -1 0 311.342 -0.308 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnc(C(=O)[O-])cn2)[C@@H](C)CN1CCO ZINC001573747609 1026628203 /nfs/dbraw/zinc/62/82/03/1026628203.db2.gz GFIRCNXYXPGZSX-ZJUUUORDSA-N -1 0 308.338 -0.298 20 0 DBADRM CCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H](COC)C(=O)[O-] ZINC001573744157 1026628286 /nfs/dbraw/zinc/62/82/86/1026628286.db2.gz QDDYZQKHWVSQPD-KXUCPTDWSA-N -1 0 302.327 -0.643 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573769108 1026629518 /nfs/dbraw/zinc/62/95/18/1026629518.db2.gz BVAKUKJWDWTYOE-UWVGGRQHSA-N -1 0 316.358 -0.875 20 0 DBADRM CCCc1nnc(SCC(=O)N2CC[C@@H](C(=O)[O-])C2)n1N ZINC001573765128 1026629718 /nfs/dbraw/zinc/62/97/18/1026629718.db2.gz WKPKCWVGLOUWLE-MRVPVSSYSA-N -1 0 313.383 -0.030 20 0 DBADRM CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@@H](OC)C(=O)[O-] ZINC001573776602 1026629967 /nfs/dbraw/zinc/62/99/67/1026629967.db2.gz OGAVHMJCSFAJHT-DJLDLDEBSA-N -1 0 304.368 -0.098 20 0 DBADRM CCN1CC[C@@H]1CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573778423 1026632507 /nfs/dbraw/zinc/63/25/07/1026632507.db2.gz VUDOPSQURFBEBF-MRVPVSSYSA-N -1 0 302.356 -0.211 20 0 DBADRM CCOC(=O)[C@]1(CNC(=O)[C@@H](O)CC(=O)[O-])CCCOC1 ZINC001573784325 1026632638 /nfs/dbraw/zinc/63/26/38/1026632638.db2.gz JCUZOFKSMOOAHL-ZANVPECISA-N -1 0 303.311 -0.702 20 0 DBADRM CCOC(=O)[C@H](NC(=O)CNC(=O)[O-])[C@@H](O)c1cccnc1 ZINC001573784032 1026633063 /nfs/dbraw/zinc/63/30/63/1026633063.db2.gz AIFKUKGZGVWORZ-MNOVXSKESA-N -1 0 311.294 -0.570 20 0 DBADRM CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)[C@H](O)CC(=O)[O-] ZINC001573784241 1026633115 /nfs/dbraw/zinc/63/31/15/1026633115.db2.gz HBJCNYZBPDMNMC-ZYHUDNBSSA-N -1 0 310.306 -0.020 20 0 DBADRM CCOC(=O)Cn1cnc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC001573787490 1026634113 /nfs/dbraw/zinc/63/41/13/1026634113.db2.gz CPBSYBKREQWOKR-MRVPVSSYSA-N -1 0 311.298 -0.220 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F ZINC001573786676 1026634598 /nfs/dbraw/zinc/63/45/98/1026634598.db2.gz XTXMBEIMFMAWRB-WDSKDSINSA-N -1 0 301.217 -0.178 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC001573786384 1026634652 /nfs/dbraw/zinc/63/46/52/1026634652.db2.gz QGZBBDPMCXAGCZ-TVQRCGJNSA-N -1 0 303.311 -0.702 20 0 DBADRM CCOC(=O)NCC(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001573787471 1026634912 /nfs/dbraw/zinc/63/49/12/1026634912.db2.gz BQYTUWPNSFBUGK-OAQYLSRUSA-N -1 0 320.367 -0.443 20 0 DBADRM CCOC(=O)c1n[nH]c(CNC(=O)[C@@H](NC(=O)[O-])C(C)C)n1 ZINC001573794144 1026636919 /nfs/dbraw/zinc/63/69/19/1026636919.db2.gz WDTVEAWYXSDZGA-QMMMGPOBSA-N -1 0 313.314 -0.110 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1CCO[C@](C)(C(=O)[O-])C1 ZINC001573800922 1026637006 /nfs/dbraw/zinc/63/70/06/1026637006.db2.gz BFBVCGFUXGQMOD-BREBYQMCSA-N -1 0 302.327 -0.325 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N(CC(=O)[O-])CC(F)(F)F ZINC001573807748 1026638062 /nfs/dbraw/zinc/63/80/62/1026638062.db2.gz XGNSAQIBYZDSBO-UHFFFAOYSA-N -1 0 320.289 -0.257 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC([C@@H](F)C(=O)[O-])C1 ZINC001573807076 1026637903 /nfs/dbraw/zinc/63/79/03/1026637903.db2.gz DRDNHHVPBYLWSG-VXNVDRBHSA-N -1 0 310.347 -0.126 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NCc1[nH]cnc1C(=O)[O-] ZINC001573807590 1026637984 /nfs/dbraw/zinc/63/79/84/1026637984.db2.gz OWKBQXZPYVREPW-UHFFFAOYSA-N -1 0 304.328 -0.994 20 0 DBADRM CCS(=O)(=O)NCC(=O)Nc1[nH]nc(C(=O)[O-])c1C1CC1 ZINC001573807096 1026638667 /nfs/dbraw/zinc/63/86/67/1026638667.db2.gz DVLHKHORDOTTPC-UHFFFAOYSA-N -1 0 316.339 -0.137 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CCC[C@@H]1c1n[nH]nc1C(=O)[O-] ZINC001573807771 1026639069 /nfs/dbraw/zinc/63/90/69/1026639069.db2.gz YHYRUFWHDUXBIS-SSDOTTSWSA-N -1 0 316.339 -0.399 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N(C)c1nc(C(=O)[O-])co1 ZINC001573807373 1026639196 /nfs/dbraw/zinc/63/91/96/1026639196.db2.gz JAGPOTHWZULXBU-UHFFFAOYSA-N -1 0 305.312 -0.383 20 0 DBADRM CC[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001573815326 1026639219 /nfs/dbraw/zinc/63/92/19/1026639219.db2.gz RUYHMZCBRXOOFL-JLIMGVALSA-N -1 0 301.343 -0.169 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001573806970 1026639471 /nfs/dbraw/zinc/63/94/71/1026639471.db2.gz AGFGDRWBFNJFQX-IUCAKERBSA-N -1 0 308.356 -0.936 20 0 DBADRM CCC/C=C/[C@H](O)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001573841551 1026640682 /nfs/dbraw/zinc/64/06/82/1026640682.db2.gz WJIUOQNDIFNNFU-CFUOYWMPSA-N -1 0 305.352 -0.586 20 0 DBADRM CCc1noc(COCC(=O)N2CCO[C@@](C)(C(=O)[O-])C2)n1 ZINC001573839730 1026641058 /nfs/dbraw/zinc/64/10/58/1026641058.db2.gz FKPOBTPKROERFS-CYBMUJFWSA-N -1 0 313.310 -0.149 20 0 DBADRM CC[C@H]1CN(Cc2nc(CC(=O)NC)no2)C[C@]1(F)C(=O)[O-] ZINC001573826956 1026641609 /nfs/dbraw/zinc/64/16/09/1026641609.db2.gz YDHNJMIXDACXMY-ISVAXAHUSA-N -1 0 314.317 -0.007 20 0 DBADRM CC[C@]1(O)CCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001573829404 1026641791 /nfs/dbraw/zinc/64/17/91/1026641791.db2.gz VSCAAYMXRRPBGZ-ZDUSSCGKSA-N -1 0 304.343 -0.339 20 0 DBADRM CCc1ncoc1C(=O)N1CCOC[C@@H]1C(=O)NCC(=O)[O-] ZINC001573840019 1026641934 /nfs/dbraw/zinc/64/19/34/1026641934.db2.gz KBVXIFKYAKMDGW-SECBINFHSA-N -1 0 311.294 -0.721 20 0 DBADRM CCCNC(=O)[C@@H](C)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001573857767 1026642865 /nfs/dbraw/zinc/64/28/65/1026642865.db2.gz UTMBOAOEUMGDGH-SECBINFHSA-N -1 0 309.322 -0.423 20 0 DBADRM CN(C(=O)Cn1cnc(C(N)=O)n1)[C@@H](C(=O)[O-])c1cccnc1 ZINC001573852531 1026642880 /nfs/dbraw/zinc/64/28/80/1026642880.db2.gz NLSRWLNMZIHPPM-SNVBAGLBSA-N -1 0 318.293 -0.944 20 0 DBADRM CCn1nncc1CNC(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC001573851684 1026643137 /nfs/dbraw/zinc/64/31/37/1026643137.db2.gz XZJBMSGYKYOHOV-CYBMUJFWSA-N -1 0 311.342 -0.021 20 0 DBADRM CN(C(=O)[C@H](O)CC(=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001573850482 1026643258 /nfs/dbraw/zinc/64/32/58/1026643258.db2.gz JZPMKRYHQSQRQQ-RNFRBKRXSA-N -1 0 312.244 -0.556 20 0 DBADRM CN(C)C(=O)COc1cccc(NC(=O)[C@@H](O)CC(=O)[O-])c1 ZINC001573858738 1026643627 /nfs/dbraw/zinc/64/36/27/1026643627.db2.gz IMBJDONGUZZDNB-NSHDSACASA-N -1 0 310.306 -0.072 20 0 DBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H](O)CC(=O)[O-])c1 ZINC001573864260 1026645336 /nfs/dbraw/zinc/64/53/36/1026645336.db2.gz ZJNQTFXPPVYNBG-SNVBAGLBSA-N -1 0 316.335 -0.289 20 0 DBADRM C[N@H+](CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C[C@@]1(O)CCCOC1 ZINC001573864519 1026645682 /nfs/dbraw/zinc/64/56/82/1026645682.db2.gz IDMTTZXHVSSYBZ-DOMZBBRYSA-N -1 0 314.382 -0.217 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NCc1[nH]cnc1C(=O)[O-] ZINC001573863413 1026645881 /nfs/dbraw/zinc/64/58/81/1026645881.db2.gz AHIUNZWELSKWBC-UHFFFAOYSA-N -1 0 304.328 -0.994 20 0 DBADRM CN(CCCC(=O)NC[C@]1(OCCO)CCOC1)C(=O)[O-] ZINC001573870146 1026646805 /nfs/dbraw/zinc/64/68/05/1026646805.db2.gz HDONRLKBXDZNAV-CYBMUJFWSA-N -1 0 304.343 -0.339 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@H](CO)NC(=O)OCc1ccccc1 ZINC001573865045 1026647452 /nfs/dbraw/zinc/64/74/52/1026647452.db2.gz QXHHOUFYDAMMIM-NSHDSACASA-N -1 0 310.306 -0.183 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@@H](CO)NC(=O)OCc1ccccc1 ZINC001573865044 1026648398 /nfs/dbraw/zinc/64/83/98/1026648398.db2.gz QXHHOUFYDAMMIM-LLVKDONJSA-N -1 0 310.306 -0.183 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)CC1=O ZINC001573882840 1026649417 /nfs/dbraw/zinc/64/94/17/1026649417.db2.gz KGJFDXOKSBEDJE-XDTLVQLUSA-N -1 0 321.333 -0.447 20 0 DBADRM CN1C[C@H](CN2CCC(C(=O)[O-])([S@](C)=O)CC2)OC1=O ZINC001573883344 1026649762 /nfs/dbraw/zinc/64/97/62/1026649762.db2.gz VAGTYTDATSHRNO-YBYGRFCBSA-N -1 0 304.368 -0.265 20 0 DBADRM CN1CCC[C@H]1c1cc(C(=O)NCc2nc(C(=O)[O-])n[nH]2)[nH]n1 ZINC001573884195 1026649652 /nfs/dbraw/zinc/64/96/52/1026649652.db2.gz ALPNMFHTBZNFME-VIFPVBQESA-N -1 0 319.325 -0.077 20 0 DBADRM CN(Cc1nnc2n1CCNC2=O)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573877331 1026650331 /nfs/dbraw/zinc/65/03/31/1026650331.db2.gz NANJZBFDLLLZSD-JGVFFNPUSA-N -1 0 307.310 -0.909 20 0 DBADRM CCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1n[nH]c(C)c1C(=O)OC ZINC001573873796 1026650367 /nfs/dbraw/zinc/65/03/67/1026650367.db2.gz CPRFOWQTKJEKHH-ZETCQYMHSA-N -1 0 319.339 -0.012 20 0 DBADRM CN1C[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccncc2)CC1=O ZINC001573883155 1026650990 /nfs/dbraw/zinc/65/09/90/1026650990.db2.gz PAXDSVZKEHEPRM-USWWRNFRSA-N -1 0 307.306 -0.837 20 0 DBADRM CN1C[C@H](C(=O)N2CCC[C@@H]2c2n[nH]nc2C(=O)[O-])NC1=O ZINC001573883319 1026651262 /nfs/dbraw/zinc/65/12/62/1026651262.db2.gz UPBNRGNMHNHHPN-RNFRBKRXSA-N -1 0 308.298 -0.810 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001573888783 1026652242 /nfs/dbraw/zinc/65/22/42/1026652242.db2.gz KWSCVYFNEGFLKW-VXGBXAGGSA-N -1 0 311.382 -0.232 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573889152 1026652944 /nfs/dbraw/zinc/65/29/44/1026652944.db2.gz CLKIIWYDLWZHHN-SVRRBLITSA-N -1 0 316.339 -0.699 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NCc2cc(C(=O)[O-])no2)CCO1 ZINC001573889338 1026653099 /nfs/dbraw/zinc/65/30/99/1026653099.db2.gz ITUCMXPSSNCGEI-VIFPVBQESA-N -1 0 312.282 -0.971 20 0 DBADRM CN1CCN(S(=O)(=O)N2C3CCC(CC3)[C@H]2C(=O)[O-])CC1 ZINC001573884413 1026653379 /nfs/dbraw/zinc/65/33/79/1026653379.db2.gz FQTCVJJHVSTSGK-MCIGGMRASA-N -1 0 317.411 -0.194 20 0 DBADRM CCOC(=O)[C@](C)(O)CNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001573888516 1026653516 /nfs/dbraw/zinc/65/35/16/1026653516.db2.gz YJYPKPUQXNAVLF-ISTVAULSSA-N -1 0 317.338 -0.313 20 0 DBADRM CN1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573885669 1026653536 /nfs/dbraw/zinc/65/35/36/1026653536.db2.gz STOHYBNNJBOSOJ-VHSXEESVSA-N -1 0 314.367 -0.035 20 0 DBADRM CNC(=O)C1(NC(=O)c2ccc(C(=O)[O-])cn2)CCOCC1 ZINC001573889776 1026654456 /nfs/dbraw/zinc/65/44/56/1026654456.db2.gz XHAIOOZXCZXKCZ-UHFFFAOYSA-N -1 0 307.306 -0.195 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)N[C@H](C)CCC(=O)[O-] ZINC001573890157 1026654690 /nfs/dbraw/zinc/65/46/90/1026654690.db2.gz IWIVLNMLOYZOIL-ZJUUUORDSA-N -1 0 316.358 -0.421 20 0 DBADRM CNC(=O)CN1CCCN(C(=O)CCCN(C)C(=O)[O-])CC1 ZINC001573890473 1026654900 /nfs/dbraw/zinc/65/49/00/1026654900.db2.gz PPQXTJORVYONMC-UHFFFAOYSA-N -1 0 314.386 -0.343 20 0 DBADRM CNC(=O)CN(CC(=O)NC)Cc1c(C)[nH]c(C(=O)[O-])c1C ZINC001573889846 1026654968 /nfs/dbraw/zinc/65/49/68/1026654968.db2.gz AJXWCDMOVZMRHG-UHFFFAOYSA-N -1 0 310.354 -0.376 20 0 DBADRM CNC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC001573889964 1026655178 /nfs/dbraw/zinc/65/51/78/1026655178.db2.gz FFJOYTPDZLVJTM-BDAKNGLRSA-N -1 0 316.383 -0.041 20 0 DBADRM CNC(=O)NC1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC001573890563 1026655205 /nfs/dbraw/zinc/65/52/05/1026655205.db2.gz SEWGEKVMAIOMIK-SNVBAGLBSA-N -1 0 313.358 -0.158 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)N[C@@H](C)CCC(=O)[O-] ZINC001573890155 1026655681 /nfs/dbraw/zinc/65/56/81/1026655681.db2.gz IWIVLNMLOYZOIL-UWVGGRQHSA-N -1 0 316.358 -0.421 20 0 DBADRM CNC(=O)[C@H](NC(=O)Cn1ncc(C(=O)[O-])n1)c1ccccc1 ZINC001573889697 1026655748 /nfs/dbraw/zinc/65/57/48/1026655748.db2.gz USHHDGYHDBYTPX-GFCCVEGCSA-N -1 0 317.305 -0.420 20 0 DBADRM CNC(=O)NC1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC001573890562 1026655775 /nfs/dbraw/zinc/65/57/75/1026655775.db2.gz SEWGEKVMAIOMIK-JTQLQIEISA-N -1 0 313.358 -0.158 20 0 DBADRM CC(C)(CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001573900810 1026656984 /nfs/dbraw/zinc/65/69/84/1026656984.db2.gz IKZYLLXYXSIPKO-UHFFFAOYSA-N -1 0 316.329 -0.794 20 0 DBADRM COC(=O)[C@H](Cc1ccncc1)NS(=O)(=O)CCC(=O)[O-] ZINC001573907145 1026657706 /nfs/dbraw/zinc/65/77/06/1026657706.db2.gz MEJQLWWOYQRPDJ-JTQLQIEISA-N -1 0 316.335 -0.440 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)N(CCOC)CC(=O)[O-])CCC1 ZINC001573894735 1026657823 /nfs/dbraw/zinc/65/78/23/1026657823.db2.gz KPRWEFCINBPRBB-UHFFFAOYSA-N -1 0 323.367 -0.165 20 0 DBADRM CNc1cnc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccncc2)cn1 ZINC001573910319 1026659320 /nfs/dbraw/zinc/65/93/20/1026659320.db2.gz JYHXFVDALWMXNK-VXGBXAGGSA-N -1 0 317.305 -0.170 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)NC1(CC(=O)[O-])COC1 ZINC001573910089 1026659374 /nfs/dbraw/zinc/65/93/74/1026659374.db2.gz HRLBUKOPPYCUML-UHFFFAOYSA-N -1 0 309.340 -0.651 20 0 DBADRM CCOC1CC(O)(CNC(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001573910714 1026659583 /nfs/dbraw/zinc/65/95/83/1026659583.db2.gz ADCXHCDDKDYVTB-UHFFFAOYSA-N -1 0 324.333 -0.407 20 0 DBADRM CNc1nc(C)cc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001573909676 1026659655 /nfs/dbraw/zinc/65/96/55/1026659655.db2.gz BQAYLYYBJGPQDR-SCZZXKLOSA-N -1 0 309.326 -0.473 20 0 DBADRM COC(=O)[C@H](C[C@@H]1CCCO1)NCC(=O)N(C)CC(=O)[O-] ZINC001573907853 1026659813 /nfs/dbraw/zinc/65/98/13/1026659813.db2.gz RTFHTFMUPRYZMR-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1Cc1nc(C(=O)[O-])cs1 ZINC001573914321 1026661427 /nfs/dbraw/zinc/66/14/27/1026661427.db2.gz IHNDQVFJYJREHN-QMMMGPOBSA-N -1 0 313.335 -0.343 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1 ZINC001573914716 1026661492 /nfs/dbraw/zinc/66/14/92/1026661492.db2.gz BCQZDXNFGMYJKB-CYBMUJFWSA-N -1 0 311.294 -0.135 20 0 DBADRM COC(=O)C[C@@](C)(NC(=O)[C@H](O)CC(=O)[O-])c1ccncc1 ZINC001573914143 1026661766 /nfs/dbraw/zinc/66/17/66/1026661766.db2.gz FQCQZHZXDMNNEZ-QMTHXVAHSA-N -1 0 310.306 -0.188 20 0 DBADRM CC(C)(F)C(=O)NC/C=C/CNc1ccnc(-c2nnn[n-]2)n1 ZINC001573917020 1026662967 /nfs/dbraw/zinc/66/29/67/1026662967.db2.gz HKSRYQRFEFWFKR-ONEGZZNKSA-N -1 0 320.332 -0.089 20 0 DBADRM CC(C)(F)C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573919883 1026663243 /nfs/dbraw/zinc/66/32/43/1026663243.db2.gz YVPJPFFTBSPYSZ-OCAPTIKFSA-N -1 0 320.332 -0.114 20 0 DBADRM COC(=O)C1(NS(=O)(=O)C2(C(=O)[O-])CCC2)CC(CO)C1 ZINC001573916705 1026663369 /nfs/dbraw/zinc/66/33/69/1026663369.db2.gz WFEHBNOXPZZMFB-UHFFFAOYSA-N -1 0 321.351 -0.773 20 0 DBADRM COC(=O)C1(O)CN(C(=O)Nc2cc(C(=O)[O-])cnc2C)C1 ZINC001573916788 1026663567 /nfs/dbraw/zinc/66/35/67/1026663567.db2.gz YIOUWKJZEMJMRC-UHFFFAOYSA-N -1 0 309.278 -0.160 20 0 DBADRM COC(=O)[C@@]1(CNS(=O)(=O)C2(CC(=O)[O-])CC2)CCOC1 ZINC001573916696 1026663639 /nfs/dbraw/zinc/66/36/39/1026663639.db2.gz VVDXQDNIETVYGD-LLVKDONJSA-N -1 0 321.351 -0.507 20 0 DBADRM COC(=O)C1(NS(=O)(=O)CCCC(=O)[O-])CCOCC1 ZINC001573916715 1026663734 /nfs/dbraw/zinc/66/37/34/1026663734.db2.gz WHFVPXJKQRVUCM-UHFFFAOYSA-N -1 0 309.340 -0.507 20 0 DBADRM COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573915681 1026663930 /nfs/dbraw/zinc/66/39/30/1026663930.db2.gz XQOPHRCKSFWJCX-IVZWLZJFSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)N(C)CC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001573922209 1026665143 /nfs/dbraw/zinc/66/51/43/1026665143.db2.gz GWQLODSCYJNTOK-QWRGUYRKSA-N -1 0 311.294 -0.617 20 0 DBADRM COC(=O)NCCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001573926443 1026665217 /nfs/dbraw/zinc/66/52/17/1026665217.db2.gz YSEYKKDPOKELNK-GHMZBOCLSA-N -1 0 311.294 -0.570 20 0 DBADRM COC(=O)N(C)CCNC(=O)NCc1cc(C(=O)[O-])no1 ZINC001573922166 1026665761 /nfs/dbraw/zinc/66/57/61/1026665761.db2.gz FJZDBOOTXXLSIF-UHFFFAOYSA-N -1 0 300.271 -0.130 20 0 DBADRM COC(=O)[C@@H](C)N(C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573926249 1026665903 /nfs/dbraw/zinc/66/59/03/1026665903.db2.gz VGECDBVLDRTAJZ-ZCFIWIBFSA-N -1 0 305.312 -0.402 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001573929122 1026666706 /nfs/dbraw/zinc/66/67/06/1026666706.db2.gz RVHCQUVSIJWHHW-NXEZZACHSA-N -1 0 322.383 -0.688 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)C1(CC(=O)[O-])CC1 ZINC001573934816 1026666783 /nfs/dbraw/zinc/66/67/83/1026666783.db2.gz CIDAEMDVBVRRIR-IONNQARKSA-N -1 0 307.324 -0.756 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]([C@H](F)C(=O)[O-])C2)O1 ZINC001573930378 1026667114 /nfs/dbraw/zinc/66/71/14/1026667114.db2.gz JMKBYJSAONAKCD-JXUBOQSCSA-N -1 0 303.286 -0.022 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)c2nc(C(=O)[O-])n[nH]2)O1 ZINC001573931613 1026667131 /nfs/dbraw/zinc/66/71/31/1026667131.db2.gz ZFJUVTJBPGKSRD-XVMARJQXSA-N -1 0 312.282 -0.599 20 0 DBADRM COC(=O)[C@@]1(NC(=O)C2CCN(C(=O)[O-])CC2)C[C@H](O)C1 ZINC001573935596 1026668800 /nfs/dbraw/zinc/66/88/00/1026668800.db2.gz UKEBYEOKBCMNPV-SWZMTVOYSA-N -1 0 300.311 -0.441 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])n[nH]1 ZINC001573940731 1026670022 /nfs/dbraw/zinc/67/00/22/1026670022.db2.gz NFZOFNDNGUIVBY-RQJHMYQMSA-N -1 0 317.323 -0.272 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1CC([C@@H](C)C(=O)[O-])C1 ZINC001573935541 1026670096 /nfs/dbraw/zinc/67/00/96/1026670096.db2.gz VWVGHIZVJDUDAQ-FXPVBKGRSA-N -1 0 314.338 -0.073 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cn1C)C(=O)[O-] ZINC001573936165 1026670138 /nfs/dbraw/zinc/67/01/38/1026670138.db2.gz KAUWISQRVXZKOJ-MRVPVSSYSA-N -1 0 304.324 -0.047 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NCC1(C(=O)[O-])CCC1 ZINC001573942810 1026670934 /nfs/dbraw/zinc/67/09/34/1026670934.db2.gz SZHHSLNSXAQIIK-UHFFFAOYSA-N -1 0 317.323 -0.271 20 0 DBADRM COC(=O)c1cnc(CCNC(=O)[C@H](O)CC(=O)[O-])s1 ZINC001573941397 1026671174 /nfs/dbraw/zinc/67/11/74/1026671174.db2.gz FPWILZVAFBCJHB-ZCFIWIBFSA-N -1 0 302.308 -0.576 20 0 DBADRM COC(=O)c1cnc(CN[C@H]2CN(C(=O)[O-])C[C@@H]2CO)s1 ZINC001573943468 1026671401 /nfs/dbraw/zinc/67/14/01/1026671401.db2.gz WZZIHVYNHLOAQR-SFYZADRCSA-N -1 0 315.351 -0.010 20 0 DBADRM COC(=O)c1cccn(CC(=O)N[C@H](C)[C@H](C)C(=O)[O-])c1=O ZINC001573942033 1026672093 /nfs/dbraw/zinc/67/20/93/1026672093.db2.gz NEISDWXMVHUQDL-DTWKUNHWSA-N -1 0 310.306 -0.140 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2CCC[C@H](NC(=O)[O-])C2)n1 ZINC001573942053 1026672447 /nfs/dbraw/zinc/67/24/47/1026672447.db2.gz NTLRKTFLTROJRC-VIFPVBQESA-N -1 0 310.310 -0.072 20 0 DBADRM COC(=O)c1coc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)c1 ZINC001573949061 1026673340 /nfs/dbraw/zinc/67/33/40/1026673340.db2.gz XRSCJWKEKSBTRC-IUCAKERBSA-N -1 0 312.278 -0.233 20 0 DBADRM CO[C@@]1(C(=O)Nc2cnc(C(=O)[O-])s2)CCS(=O)(=O)C1 ZINC001573948149 1026673362 /nfs/dbraw/zinc/67/33/62/1026673362.db2.gz GWJWOSZKSUGKNC-JTQLQIEISA-N -1 0 320.348 -0.017 20 0 DBADRM CO[C@H](CNC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO)C(C)C ZINC001573948642 1026673428 /nfs/dbraw/zinc/67/34/28/1026673428.db2.gz KKJVSFDGPKJXNG-OUAUKWLOSA-N -1 0 303.359 -0.073 20 0 DBADRM COC1(C[C@@H](NC(=O)Cn2nc(C)oc2=O)C(=O)[O-])CCC1 ZINC001573952657 1026673517 /nfs/dbraw/zinc/67/35/17/1026673517.db2.gz CXDCWXQFBIAVNO-SECBINFHSA-N -1 0 313.310 -0.327 20 0 DBADRM CO[C@H](CNC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO)C1CC1 ZINC001573949039 1026673646 /nfs/dbraw/zinc/67/36/46/1026673646.db2.gz MKJUCDOAOXBLIP-GARJFASQSA-N -1 0 301.343 -0.319 20 0 DBADRM CO[C@]1(C(=O)N2CCC[C@H](NC(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001573949031 1026674126 /nfs/dbraw/zinc/67/41/26/1026674126.db2.gz MHRQURICGWCAEM-JOYOIKCWSA-N -1 0 320.367 -0.551 20 0 DBADRM CO[C@]1(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001573949715 1026674309 /nfs/dbraw/zinc/67/43/09/1026674309.db2.gz SPOZLAMJNIRUTG-LDYMZIIASA-N -1 0 306.340 -0.941 20 0 DBADRM COC(=O)c1ncoc1CCC(=O)NC1(CC(=O)[O-])COC1 ZINC001573948804 1026674398 /nfs/dbraw/zinc/67/43/98/1026674398.db2.gz UWHUXRSSXRTLMY-UHFFFAOYSA-N -1 0 312.278 -0.246 20 0 DBADRM CO[C@@H]1CN(C(=O)Nc2ccn(CC(=O)[O-])n2)[C@](C)(CO)C1 ZINC001573957404 1026675308 /nfs/dbraw/zinc/67/53/08/1026675308.db2.gz QSGOATLGNQFERA-ZANVPECISA-N -1 0 312.326 -0.029 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-] ZINC001573966952 1026676690 /nfs/dbraw/zinc/67/66/90/1026676690.db2.gz NWYUNPHLDFJYGU-SNVBAGLBSA-N -1 0 316.354 -0.380 20 0 DBADRM COCC(=O)NCCC(=O)N[C@@H](CC(=O)[O-])C(F)(F)F ZINC001573966383 1026676969 /nfs/dbraw/zinc/67/69/69/1026676969.db2.gz IKGNGQSPAFYJHS-LURJTMIESA-N -1 0 300.233 -0.339 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CCCN(C)C(=O)[O-] ZINC001573966038 1026677193 /nfs/dbraw/zinc/67/71/93/1026677193.db2.gz DLCKGBIBTAECRD-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C(=O)CCCS(C)(=O)=O)C1CC1 ZINC001573967233 1026679814 /nfs/dbraw/zinc/67/98/14/1026679814.db2.gz RXRYBUYTDIUVAD-JTQLQIEISA-N -1 0 307.368 -0.098 20 0 DBADRM COCC(=O)NCCC(=O)NCc1nc(CC(=O)[O-])cs1 ZINC001573967008 1026679867 /nfs/dbraw/zinc/67/98/67/1026679867.db2.gz PSUFVKFFKUGHGC-UHFFFAOYSA-N -1 0 315.351 -0.461 20 0 DBADRM COC[C@@]1(CO)CCN(C(=O)NCc2cc(C(=O)[O-])no2)C1 ZINC001573975346 1026681498 /nfs/dbraw/zinc/68/14/98/1026681498.db2.gz PXWPCMKUFLRSIF-ZDUSSCGKSA-N -1 0 313.310 -0.087 20 0 DBADRM COCC[C@H](COC)NC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573975338 1026681881 /nfs/dbraw/zinc/68/18/81/1026681881.db2.gz PSPASBOQQFBCIV-MXWKQRLJSA-N -1 0 319.358 -0.692 20 0 DBADRM CCn1ncc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001573972106 1026682319 /nfs/dbraw/zinc/68/23/19/1026682319.db2.gz JTCYZCUAZLRYBJ-SECBINFHSA-N -1 0 309.326 -0.507 20 0 DBADRM CCn1cc(CNC(=O)c2cc(C(=O)[O-])n[nH]2)c(=O)[nH]c1=O ZINC001573971428 1026682345 /nfs/dbraw/zinc/68/23/45/1026682345.db2.gz UKSYHAMPDGUZJW-UHFFFAOYSA-N -1 0 307.266 -0.680 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC001573984939 1026683203 /nfs/dbraw/zinc/68/32/03/1026683203.db2.gz CVCLQEXJRQSKCE-CBINBANVSA-N -1 0 319.379 -0.098 20 0 DBADRM CN(C)C(=O)NC1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001573983460 1026683551 /nfs/dbraw/zinc/68/35/51/1026683551.db2.gz SRUJAAOPHARFCU-SNVBAGLBSA-N -1 0 312.326 -0.522 20 0 DBADRM COCC[C@@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)C(=O)OC ZINC001573977930 1026683643 /nfs/dbraw/zinc/68/36/43/1026683643.db2.gz MHJMVIGDVDVSDJ-MRVPVSSYSA-N -1 0 309.340 -0.509 20 0 DBADRM COCC[C@@H](NC(=O)CC1(C(=O)[O-])CCOCC1)C(N)=O ZINC001573978415 1026683756 /nfs/dbraw/zinc/68/37/56/1026683756.db2.gz SJWLNQOCLOXRSM-SECBINFHSA-N -1 0 302.327 -0.736 20 0 DBADRM COCCn1ccc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001573985106 1026683815 /nfs/dbraw/zinc/68/38/15/1026683815.db2.gz HJWWDFCYXDVRAM-KOLCDFICSA-N -1 0 312.326 -0.770 20 0 DBADRM COCCn1ncc(C(=O)NCc2nc(C(=O)[O-])n[nH]2)c1C ZINC001573985138 1026684245 /nfs/dbraw/zinc/68/42/45/1026684245.db2.gz KHUUFBYWEROFQF-UHFFFAOYSA-N -1 0 308.298 -0.416 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)c2cc(C(=O)[O-])n[nH]2)n1 ZINC001573983772 1026684297 /nfs/dbraw/zinc/68/42/97/1026684297.db2.gz YRJKYBZJNQUJKF-UHFFFAOYSA-N -1 0 306.282 -0.355 20 0 DBADRM COC[C@H](NC(=O)Cc1csc(-c2nc[nH]n2)n1)C(=O)[O-] ZINC001573985630 1026686012 /nfs/dbraw/zinc/68/60/12/1026686012.db2.gz NXEGKVYBRMLJFE-ZETCQYMHSA-N -1 0 311.323 -0.314 20 0 DBADRM COC[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)OC)CO1)C(=O)[O-] ZINC001573986083 1026686092 /nfs/dbraw/zinc/68/60/92/1026686092.db2.gz SHCMPIXYQCULOC-AEJSXWLSSA-N -1 0 303.311 -0.440 20 0 DBADRM COCCN(CCF)CC(=O)Nc1c(C(=O)[O-])cnn1C ZINC001573985923 1026686353 /nfs/dbraw/zinc/68/63/53/1026686353.db2.gz LNMNTUSWMCRGHM-UHFFFAOYSA-N -1 0 302.306 -0.025 20 0 DBADRM COC[C@H](NC(=O)c1ccc(S(N)(=O)=O)c(C)c1)C(=O)[O-] ZINC001573990966 1026686415 /nfs/dbraw/zinc/68/64/15/1026686415.db2.gz OKWCAQVUTMYIJT-VIFPVBQESA-N -1 0 316.335 -0.528 20 0 DBADRM COC[C@H](NC(=O)c1ccc2c(c1)C(=O)NCCO2)C(=O)[O-] ZINC001573990296 1026686426 /nfs/dbraw/zinc/68/64/26/1026686426.db2.gz CQPLCWZDFGQXAC-JTQLQIEISA-N -1 0 308.290 -0.362 20 0 DBADRM COC[C@H](NS(=O)(=O)C[C@@H]1CC2(CCC2)CO1)C(=O)[O-] ZINC001573990896 1026686496 /nfs/dbraw/zinc/68/64/96/1026686496.db2.gz NLGLZGHKSFVFAM-UWVGGRQHSA-N -1 0 307.368 -0.035 20 0 DBADRM COC[C@H](NC(=O)c1coc(CS(C)(=O)=O)n1)C(=O)[O-] ZINC001573990286 1026686829 /nfs/dbraw/zinc/68/68/29/1026686829.db2.gz CANJPHXEGNLSOQ-ZETCQYMHSA-N -1 0 306.296 -0.951 20 0 DBADRM CO[C@@H]1CCC[C@@H]1S(=O)(=O)N1C[C@@H](C(=O)[O-])C2(COC2)C1 ZINC001573993008 1026687754 /nfs/dbraw/zinc/68/77/54/1026687754.db2.gz MQVLFBOSUNCGBO-AXFHLTTASA-N -1 0 319.379 -0.083 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC001573992665 1026688895 /nfs/dbraw/zinc/68/88/95/1026688895.db2.gz XZDOCSICZVNGLO-GIPNMCIBSA-N -1 0 302.327 -0.419 20 0 DBADRM COc1cc(OC)cc([C@@H](O)CNC(=O)[C@@H](O)CC(=O)[O-])c1 ZINC001574027264 1026689567 /nfs/dbraw/zinc/68/95/67/1026689567.db2.gz UXJZRLZDJPJOSV-RYUDHWBXSA-N -1 0 313.306 -0.311 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001574023475 1026689721 /nfs/dbraw/zinc/68/97/21/1026689721.db2.gz WWXBREHIUIKAEJ-SSDOTTSWSA-N -1 0 308.294 -0.329 20 0 DBADRM CN1CCN(S(=O)(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC001574029583 1026690180 /nfs/dbraw/zinc/69/01/80/1026690180.db2.gz ALOZAUMTPUYQBQ-NSHDSACASA-N -1 0 305.400 -0.335 20 0 DBADRM COc1cc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)nn1C ZINC001574012753 1026690487 /nfs/dbraw/zinc/69/04/87/1026690487.db2.gz RTDBPMISDCMLGK-VXGBXAGGSA-N -1 0 320.305 -0.260 20 0 DBADRM COc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)cc1=O ZINC001574012332 1026690635 /nfs/dbraw/zinc/69/06/35/1026690635.db2.gz JDSHDTRCWBCKIF-VXNVDRBHSA-N -1 0 311.294 -0.916 20 0 DBADRM COc1cc(F)c(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1F ZINC001574025837 1026691133 /nfs/dbraw/zinc/69/11/33/1026691133.db2.gz CBNXRMYLSBXPNK-ZETCQYMHSA-N -1 0 311.262 -0.303 20 0 DBADRM COc1ccc(COCC(=O)N(CC(N)=O)CC(=O)[O-])cn1 ZINC001574034596 1026692166 /nfs/dbraw/zinc/69/21/66/1026692166.db2.gz BDOBCBZCMGMNAB-UHFFFAOYSA-N -1 0 311.294 -0.995 20 0 DBADRM COC(=O)[C@H](C)N(C(=O)c1cn(CC(=O)[O-])nn1)C1CCC1 ZINC001574038400 1026692431 /nfs/dbraw/zinc/69/24/31/1026692431.db2.gz SSHXQQAJPPBJPF-QMMMGPOBSA-N -1 0 310.310 -0.081 20 0 DBADRM COc1ccc(CC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)nc1 ZINC001574031191 1026692781 /nfs/dbraw/zinc/69/27/81/1026692781.db2.gz TUQCTQFGMWGRKW-JOYOIKCWSA-N -1 0 309.322 -0.280 20 0 DBADRM COc1ccc(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])nc1 ZINC001574035808 1026693065 /nfs/dbraw/zinc/69/30/65/1026693065.db2.gz YJQLDNXHMJYHDV-UHFFFAOYSA-N -1 0 312.307 -0.010 20 0 DBADRM COC(=O)[C@H](NCC(=O)NCC(=O)[O-])c1ccc(OC)cc1 ZINC001574046511 1026694238 /nfs/dbraw/zinc/69/42/38/1026694238.db2.gz LOXUUPMUHHPTJS-CYBMUJFWSA-N -1 0 310.306 -0.300 20 0 DBADRM COc1nccc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccncc2)n1 ZINC001574054063 1026694563 /nfs/dbraw/zinc/69/45/63/1026694563.db2.gz KHDWLHBKVFCSPA-MNOVXSKESA-N -1 0 318.289 -0.203 20 0 DBADRM COc1coc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)cc1=O ZINC001574054523 1026694575 /nfs/dbraw/zinc/69/45/75/1026694575.db2.gz MIFKFCJXPFXJMA-SFYZADRCSA-N -1 0 312.278 -0.651 20 0 DBADRM COC(=O)C1(N(C)C(=O)c2cn(CC(=O)[O-])nn2)CCCC1 ZINC001574047474 1026694725 /nfs/dbraw/zinc/69/47/25/1026694725.db2.gz RYICVDCKRZBBDX-UHFFFAOYSA-N -1 0 310.310 -0.080 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001574054413 1026694919 /nfs/dbraw/zinc/69/49/19/1026694919.db2.gz DXSMPADFICAPLY-JTQLQIEISA-N -1 0 304.318 -0.103 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001574047043 1026695008 /nfs/dbraw/zinc/69/50/08/1026695008.db2.gz RQYKPGAIRDIXHU-KYXWUPHJSA-N -1 0 300.311 -0.585 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C[C@@H]1CCC(=O)NC1 ZINC001574056074 1026695947 /nfs/dbraw/zinc/69/59/47/1026695947.db2.gz UUGUWEGHZXPDNI-VIFPVBQESA-N -1 0 300.311 -0.621 20 0 DBADRM COC(=O)C[C@H](C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574055263 1026696202 /nfs/dbraw/zinc/69/62/02/1026696202.db2.gz NVOZFYXKSMSXEI-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM CS(=O)(=O)C1CN(Cc2cnc3c(C(=O)[O-])cnn3c2)C1 ZINC001574056561 1026696308 /nfs/dbraw/zinc/69/63/08/1026696308.db2.gz ALDMKTSYFATBGX-UHFFFAOYSA-N -1 0 310.335 -0.344 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574055262 1026696680 /nfs/dbraw/zinc/69/66/80/1026696680.db2.gz NVOZFYXKSMSXEI-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(C)on1 ZINC001574056275 1026697001 /nfs/dbraw/zinc/69/70/01/1026697001.db2.gz YLYQVRMSOGWXOP-UHFFFAOYSA-N -1 0 313.266 -0.602 20 0 DBADRM CS(=O)(=O)C1(C(=O)[O-])CCN(C(=O)c2n[nH]cc2F)CC1 ZINC001574057375 1026697241 /nfs/dbraw/zinc/69/72/41/1026697241.db2.gz LCPBSOAIYPTYFF-UHFFFAOYSA-N -1 0 319.314 -0.347 20 0 DBADRM CS(=O)(=O)c1ccc(F)c(CNC(=O)[C@H](O)CC(=O)[O-])c1 ZINC001574059497 1026698060 /nfs/dbraw/zinc/69/80/60/1026698060.db2.gz MKFSDDOVKHNGAC-SNVBAGLBSA-N -1 0 319.310 -0.319 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001574059034 1026698065 /nfs/dbraw/zinc/69/80/65/1026698065.db2.gz AFSXGHJNGDIKGS-UHFFFAOYSA-N -1 0 317.323 -0.473 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)NC2(CC(=O)[O-])CCOCC2)C1 ZINC001574059460 1026698087 /nfs/dbraw/zinc/69/80/87/1026698087.db2.gz LASLEIKDVNMBMV-UHFFFAOYSA-N -1 0 320.367 -0.982 20 0 DBADRM CS(=O)(=O)c1ccc(CNC(=O)[C@H](O)CC(=O)[O-])s1 ZINC001574059130 1026698231 /nfs/dbraw/zinc/69/82/31/1026698231.db2.gz FBCDQGCFMYHUSC-SSDOTTSWSA-N -1 0 307.349 -0.397 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@H](NC(=O)N[C@H]2CCN(C(=O)[O-])C2)C1 ZINC001574059255 1026698325 /nfs/dbraw/zinc/69/83/25/1026698325.db2.gz FYSQOGIYVQBEMB-CIUDSAMLSA-N -1 0 305.356 -0.387 20 0 DBADRM CS(=O)(=O)Nc1ccccc1CNC(=O)[C@@H](O)CC(=O)[O-] ZINC001574059520 1026698690 /nfs/dbraw/zinc/69/86/90/1026698690.db2.gz NHQLYJOJVXUFHM-JTQLQIEISA-N -1 0 316.335 -0.490 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001574059527 1026698870 /nfs/dbraw/zinc/69/88/70/1026698870.db2.gz NMQFAZCHDWBZAU-LPEHRKFASA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NC2(CC(=O)[O-])COC2)o1 ZINC001574059875 1026699799 /nfs/dbraw/zinc/69/97/99/1026699799.db2.gz RMEHXBNXZSOXFF-UHFFFAOYSA-N -1 0 303.292 -0.343 20 0 DBADRM COC(=O)[C@@H](O)CCNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001574076202 1026699939 /nfs/dbraw/zinc/69/99/39/1026699939.db2.gz VLQDHEIMFNXHOV-BBBLOLIVSA-N -1 0 303.311 -0.704 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001574066354 1026700107 /nfs/dbraw/zinc/70/01/07/1026700107.db2.gz OVVCTMBLVQHMHA-UHFFFAOYSA-N -1 0 324.289 -0.831 20 0 DBADRM CS(=O)(=O)c1ccccc1CCNC(=O)[C@@H](O)CC(=O)[O-] ZINC001574060094 1026700747 /nfs/dbraw/zinc/70/07/47/1026700747.db2.gz WUWVKFGFLGBUDD-JTQLQIEISA-N -1 0 315.347 -0.416 20 0 DBADRM CS(=O)(=O)NC[C@H]1COCCN1Cc1cc(C(=O)[O-])no1 ZINC001574060083 1026701027 /nfs/dbraw/zinc/70/10/27/1026701027.db2.gz WLBJZTJPDNQQKA-QMMMGPOBSA-N -1 0 319.339 -0.877 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)Cc1ccno1 ZINC001574061951 1026701368 /nfs/dbraw/zinc/70/13/68/1026701368.db2.gz WVJCVDFXOUBLLL-UHFFFAOYSA-N -1 0 306.296 -0.546 20 0 DBADRM COC(=O)[C@@H](NCCCNC(=O)[C@H](OC)C(=O)[O-])C(C)C ZINC001574074835 1026701454 /nfs/dbraw/zinc/70/14/54/1026701454.db2.gz BMMSCXOWQUXEPX-UWVGGRQHSA-N -1 0 304.343 -0.621 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001574097158 1026702167 /nfs/dbraw/zinc/70/21/67/1026702167.db2.gz JGFMDGLODCFHRA-NRFANRHFSA-N -1 0 313.335 -0.380 20 0 DBADRM CSC[C@@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC001574096615 1026703017 /nfs/dbraw/zinc/70/30/17/1026703017.db2.gz PXIDXIOHNQYFPL-HLTSFMKQSA-N -1 0 304.368 -0.268 20 0 DBADRM COC(=O)c1ccc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cn1 ZINC001574087395 1026703804 /nfs/dbraw/zinc/70/38/04/1026703804.db2.gz PXRFHYYKXAIAOZ-JTQLQIEISA-N -1 0 307.262 -0.286 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC001574077522 1026703850 /nfs/dbraw/zinc/70/38/50/1026703850.db2.gz USMVDEWMBPFJNW-CIUDSAMLSA-N -1 0 302.327 -0.474 20 0 DBADRM C[C@@H]1[C@H](NC(=O)N2CC([C@@H](F)C(=O)[O-])C2)CCS1(=O)=O ZINC001574104260 1026704728 /nfs/dbraw/zinc/70/47/28/1026704728.db2.gz LTTOBXHZKVGJDU-FTLITQJKSA-N -1 0 308.331 -0.374 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)c2nccnc2N)CC1 ZINC001574097967 1026704919 /nfs/dbraw/zinc/70/49/19/1026704919.db2.gz VONVSSKRNFREHD-OAQYLSRUSA-N -1 0 312.351 -0.503 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC001574101727 1026705003 /nfs/dbraw/zinc/70/50/03/1026705003.db2.gz MYJPWQXRCUUBMK-OIBJUYFYSA-N -1 0 316.335 -0.389 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC001574104184 1026705123 /nfs/dbraw/zinc/70/51/23/1026705123.db2.gz GPFBVXGCFRUBJD-JTQLQIEISA-N -1 0 316.335 -0.011 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)c2csnn2)CC1 ZINC001574097680 1026705945 /nfs/dbraw/zinc/70/59/45/1026705945.db2.gz RABHZCPQAMIYFG-IBGZPJMESA-N -1 0 303.365 -0.024 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)N1CC([C@H](F)C(=O)[O-])C1 ZINC001574097751 1026706047 /nfs/dbraw/zinc/70/60/47/1026706047.db2.gz SMHYKTQGTLFSDZ-QMMMGPOBSA-N -1 0 309.319 -0.695 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccnc(S(C)(=O)=O)c1 ZINC001574111597 1026707086 /nfs/dbraw/zinc/70/70/86/1026707086.db2.gz OBGMDCSXBOPBHK-NSHDSACASA-N -1 0 302.308 -0.087 20 0 DBADRM Cc1c(Br)cnn1CC(=O)N[C@H](CO)CC(=O)[O-] ZINC001574113964 1026707694 /nfs/dbraw/zinc/70/76/94/1026707694.db2.gz RFHAZTFWAGAWMQ-ZETCQYMHSA-N -1 0 320.143 -0.094 20 0 DBADRM Cc1[nH]c(C(=O)NCC2(S(N)(=O)=O)CC2)cc1C(=O)[O-] ZINC001574111582 1026708006 /nfs/dbraw/zinc/70/80/06/1026708006.db2.gz GFZZRJGIUAIFDV-UHFFFAOYSA-N -1 0 301.324 -0.428 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1S(=O)(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001574111744 1026708173 /nfs/dbraw/zinc/70/81/73/1026708173.db2.gz TWVCHBBPJIBOJR-BDAKNGLRSA-N -1 0 318.351 -0.554 20 0 DBADRM Cc1c(C(=O)N(CC(=O)[O-])C2CC2)nnn1-c1cnn(C)c1 ZINC001574113373 1026708257 /nfs/dbraw/zinc/70/82/57/1026708257.db2.gz OMWJOCCHQFWHFB-UHFFFAOYSA-N -1 0 304.310 -0.002 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC001574107045 1026708320 /nfs/dbraw/zinc/70/83/20/1026708320.db2.gz YLEUHWHNHIUQFF-NXEZZACHSA-N -1 0 321.289 -0.525 20 0 DBADRM Cc1c(C(=O)[O-])n[nH]c1NC(=O)CN1CCCCS1(=O)=O ZINC001574118468 1026708875 /nfs/dbraw/zinc/70/88/75/1026708875.db2.gz GTBOUTIAZAXCPQ-UHFFFAOYSA-N -1 0 316.339 -0.220 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001574114392 1026708935 /nfs/dbraw/zinc/70/89/35/1026708935.db2.gz UQXGPQZKEAPQJR-OLZOCXBDSA-N -1 0 304.306 -0.041 20 0 DBADRM Cc1c(CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)cnn1C ZINC001574121147 1026709620 /nfs/dbraw/zinc/70/96/20/1026709620.db2.gz JXAYQUVKZUWLID-QWRGUYRKSA-N -1 0 311.342 -0.502 20 0 DBADRM Cc1cc(COCC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)no1 ZINC001574134524 1026712176 /nfs/dbraw/zinc/71/21/76/1026712176.db2.gz LWZRKZFMQGCELY-ONGXEEELSA-N -1 0 313.310 -0.413 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001574131919 1026712189 /nfs/dbraw/zinc/71/21/89/1026712189.db2.gz VYBFEXJRBHEZEW-HNNXBMFYSA-N -1 0 321.333 -0.327 20 0 DBADRM COCC[C@H](COC)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001574143760 1026712904 /nfs/dbraw/zinc/71/29/04/1026712904.db2.gz XIFYADBXJPOWOJ-WDMOLILDSA-N -1 0 316.354 -0.220 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@@]2(C)CCOC2=O)CCO1 ZINC001574141870 1026713825 /nfs/dbraw/zinc/71/38/25/1026713825.db2.gz QDNQGZGFDOJNNV-STQMWFEESA-N -1 0 316.310 -0.796 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCc2cnccn2)CCO1 ZINC001574141754 1026713850 /nfs/dbraw/zinc/71/38/50/1026713850.db2.gz PCSLDXIYFPXUDD-CYBMUJFWSA-N -1 0 310.310 -0.512 20 0 DBADRM COCC[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)C(=O)OC ZINC001574149585 1026716001 /nfs/dbraw/zinc/71/60/01/1026716001.db2.gz GJKBNLPGBSBIEP-DCAQKATOSA-N -1 0 317.338 -0.049 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001574163439 1026716498 /nfs/dbraw/zinc/71/64/98/1026716498.db2.gz OVJSSRDFGZLNJI-GHMZBOCLSA-N -1 0 324.399 -0.237 20 0 DBADRM COCCN(CCOC)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001574158623 1026716548 /nfs/dbraw/zinc/71/65/48/1026716548.db2.gz FNOYCCAATBBHIO-LLVKDONJSA-N -1 0 316.354 -0.569 20 0 DBADRM Cc1cn2nc(C(=O)N3CC([C@@H](F)C(=O)[O-])C3)cc2c(=O)[nH]1 ZINC001574172326 1026717633 /nfs/dbraw/zinc/71/76/33/1026717633.db2.gz CXRQTPJSAHBLNM-SNVBAGLBSA-N -1 0 308.269 -0.174 20 0 DBADRM CON(C(=O)c1cc(S(N)(=O)=O)ccc1F)[C@H](C)C(=O)[O-] ZINC001574169731 1026717643 /nfs/dbraw/zinc/71/76/43/1026717643.db2.gz HGCIRTAFZYECCC-ZCFIWIBFSA-N -1 0 320.298 -0.050 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001574179382 1026717739 /nfs/dbraw/zinc/71/77/39/1026717739.db2.gz UFJBUXVEBNDLRS-DTWKUNHWSA-N -1 0 318.355 -0.724 20 0 DBADRM Cc1cn2nnc(C(=O)N3CSC[C@H]3C(=O)[O-])c2c(=O)[nH]1 ZINC001574172721 1026718145 /nfs/dbraw/zinc/71/81/45/1026718145.db2.gz JUXSKVWFEQVWAR-LURJTMIESA-N -1 0 309.307 -0.262 20 0 DBADRM Cc1ccn(C[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])n1 ZINC001574173378 1026718271 /nfs/dbraw/zinc/71/82/71/1026718271.db2.gz YBNYQGVESWWDKW-LSJOCFKGSA-N -1 0 310.354 -0.078 20 0 DBADRM Cc1cn2c(n1)C[C@@H](C(=O)NCc1nc(C(=O)[O-])n[nH]1)CC2 ZINC001574172555 1026718323 /nfs/dbraw/zinc/71/83/23/1026718323.db2.gz GHDQLYHJLGXZGV-QMMMGPOBSA-N -1 0 304.310 -0.113 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001574179380 1026718337 /nfs/dbraw/zinc/71/83/37/1026718337.db2.gz UFJBUXVEBNDLRS-BDAKNGLRSA-N -1 0 318.355 -0.724 20 0 DBADRM Cc1cnc(COCC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)o1 ZINC001574172545 1026718785 /nfs/dbraw/zinc/71/87/85/1026718785.db2.gz GCRJZPAOADWBFB-ZJUUUORDSA-N -1 0 313.310 -0.413 20 0 DBADRM Cc1nc(CCC(=O)[O-])cc(N2CC[C@H](S(N)(=O)=O)C2)n1 ZINC001574187709 1026719625 /nfs/dbraw/zinc/71/96/25/1026719625.db2.gz LWLZJIKAPUGJOT-JTQLQIEISA-N -1 0 314.367 -0.331 20 0 DBADRM Cc1nc(C(=O)N2C[C@@H](C(=O)[O-])C3(COC3)C2)c(=O)[nH]c1C ZINC001574181587 1026719957 /nfs/dbraw/zinc/71/99/57/1026719957.db2.gz BKEBZBRJYRZKGF-VIFPVBQESA-N -1 0 307.306 -0.440 20 0 DBADRM Cc1nc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])nn1-c1nc[nH]n1 ZINC001574181478 1026720429 /nfs/dbraw/zinc/72/04/29/1026720429.db2.gz ZBMODCBMWVWUNN-SFYZADRCSA-N -1 0 305.298 -0.323 20 0 DBADRM Cc1nc(C(=O)[O-])cc(N2CCN(C(C)(C)C(N)=O)CC2)n1 ZINC001574181481 1026720641 /nfs/dbraw/zinc/72/06/41/1026720641.db2.gz ZEYDAFBRXPTPAN-UHFFFAOYSA-N -1 0 307.354 -0.131 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@H]2COCCN2C)c1C(=O)[O-] ZINC001574181654 1026720795 /nfs/dbraw/zinc/72/07/95/1026720795.db2.gz CUIXFBNDHLJAMR-QMMMGPOBSA-N -1 0 318.355 -0.975 20 0 DBADRM Cc1nc(NC(=O)[C@H](O)CC(=O)[O-])sc1SCC(N)=O ZINC001574187676 1026720893 /nfs/dbraw/zinc/72/08/93/1026720893.db2.gz IXCPUMNBIUPKBW-RXMQYKEDSA-N -1 0 319.364 -0.197 20 0 DBADRM Cc1nc(C(=O)N[C@@H](CO)CC2OCCO2)ccc1C(=O)[O-] ZINC001574180155 1026720931 /nfs/dbraw/zinc/72/09/31/1026720931.db2.gz CQHFLDKGXCEFMN-SECBINFHSA-N -1 0 310.306 -0.058 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC001574191459 1026721392 /nfs/dbraw/zinc/72/13/92/1026721392.db2.gz JTWXFKWNGCPYMZ-ZETCQYMHSA-N -1 0 301.324 -0.417 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])C1 ZINC001574197864 1026721550 /nfs/dbraw/zinc/72/15/50/1026721550.db2.gz GVPAQOVVOVOFPF-GWCFXTLKSA-N -1 0 310.310 -0.827 20 0 DBADRM Cc1ncc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1C(N)=O ZINC001574192568 1026721963 /nfs/dbraw/zinc/72/19/63/1026721963.db2.gz TYKVSBCBBSZLSY-JTQLQIEISA-N -1 0 308.294 -0.194 20 0 DBADRM COc1cc(OC)cc([C@H](O)CNC(=O)[C@H](OC)C(=O)[O-])c1 ZINC001574188297 1026722227 /nfs/dbraw/zinc/72/22/27/1026722227.db2.gz VBAGBWOPDUXJRW-NEPJUHHUSA-N -1 0 313.306 -0.047 20 0 DBADRM Cc1nccn1CC(=O)N1CCC(C(=O)NCC(=O)[O-])CC1 ZINC001574191120 1026722878 /nfs/dbraw/zinc/72/28/78/1026722878.db2.gz IBCNMVDTHPDTCI-UHFFFAOYSA-N -1 0 308.338 -0.369 20 0 DBADRM COc1cc(OC)cc([C@H](O)CNC(=O)[C@@H](OC)C(=O)[O-])c1 ZINC001574188300 1026722989 /nfs/dbraw/zinc/72/29/89/1026722989.db2.gz VBAGBWOPDUXJRW-VXGBXAGGSA-N -1 0 313.306 -0.047 20 0 DBADRM Cc1noc(CCCC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001574197039 1026723058 /nfs/dbraw/zinc/72/30/58/1026723058.db2.gz GMNRHJHZLFNPQK-VHSXEESVSA-N -1 0 312.326 -0.212 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)NC1(CC(=O)[O-])COC1 ZINC001574204921 1026724115 /nfs/dbraw/zinc/72/41/15/1026724115.db2.gz GLFZMAFIYILOEP-UHFFFAOYSA-N -1 0 318.307 -0.791 20 0 DBADRM Cc1nnnn1-c1cc(NC(=O)[C@H](O)CC(=O)[O-])ccc1F ZINC001574198251 1026724267 /nfs/dbraw/zinc/72/42/67/1026724267.db2.gz PWPIMGCNBIOTRL-SNVBAGLBSA-N -1 0 309.257 -0.116 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N[C@H](C)c1nc(C(=O)[O-])n[nH]1)CC2 ZINC001574198719 1026724476 /nfs/dbraw/zinc/72/44/76/1026724476.db2.gz UQDQJLCAVUPRCR-SVRRBLITSA-N -1 0 319.325 -0.157 20 0 DBADRM Cc1nn(CCS(=O)(=O)N(CC(=O)[O-])C2CC2)c(=O)o1 ZINC001574199891 1026724700 /nfs/dbraw/zinc/72/47/00/1026724700.db2.gz GUUHDURUJCUJMP-UHFFFAOYSA-N -1 0 305.312 -0.976 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)NCc1[nH]cnc1C(=O)[O-])CC2 ZINC001574198295 1026724977 /nfs/dbraw/zinc/72/49/77/1026724977.db2.gz RYSUAJFZAJWNGH-MRVPVSSYSA-N -1 0 304.310 -0.113 20 0 DBADRM Cc1nn(CCS(=O)(=O)N2CC3CC2(C(=O)[O-])C3)c(=O)o1 ZINC001574200291 1026725042 /nfs/dbraw/zinc/72/50/42/1026725042.db2.gz JZWKKCWOHLAYSH-UHFFFAOYSA-N -1 0 317.323 -0.976 20 0 DBADRM Cn1cc(CCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)nn1 ZINC001574211513 1026725743 /nfs/dbraw/zinc/72/57/43/1026725743.db2.gz CWKXHKFZULDCIX-STQMWFEESA-N -1 0 319.321 -0.554 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001574207837 1026726359 /nfs/dbraw/zinc/72/63/59/1026726359.db2.gz CQXUYVSAGZQMPD-SFYZADRCSA-N -1 0 319.339 -0.134 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2C3CCC(CC3)[C@H]2C(=O)[O-])c1=O ZINC001574210063 1026727317 /nfs/dbraw/zinc/72/73/17/1026727317.db2.gz WKCSDYSGCOEHBZ-ZPPKWKGLSA-N -1 0 321.333 -0.599 20 0 DBADRM Cn1cc(C[C@@H](CO)NS(=O)(=O)CCCC(=O)[O-])cn1 ZINC001574212072 1026727796 /nfs/dbraw/zinc/72/77/96/1026727796.db2.gz IMPBTQFJXWRVEF-JTQLQIEISA-N -1 0 305.356 -0.892 20 0 DBADRM Cn1cc(CNC(=O)N2CC([C@H](F)C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001574212802 1026728293 /nfs/dbraw/zinc/72/82/93/1026728293.db2.gz RWQVKHIDDNCJJM-QMMMGPOBSA-N -1 0 314.273 -0.950 20 0 DBADRM Cn1cc(CN2CCCC[C@@H]2CS(N)(=O)=O)c(C(=O)[O-])n1 ZINC001574212158 1026728804 /nfs/dbraw/zinc/72/88/04/1026728804.db2.gz LFBJBWUDDRMZAY-SNVBAGLBSA-N -1 0 316.383 -0.239 20 0 DBADRM Cn1cc(C[C@@H](CO)NS(=O)(=O)C2(CC(=O)[O-])CC2)cn1 ZINC001574212565 1026728976 /nfs/dbraw/zinc/72/89/76/1026728976.db2.gz PCZCTOKQEFXLQS-JTQLQIEISA-N -1 0 317.367 -0.750 20 0 DBADRM Cn1cc(CNC(=O)c2ccc(C(=O)[O-])cn2)c(=O)[nH]c1=O ZINC001574212798 1026729131 /nfs/dbraw/zinc/72/91/31/1026729131.db2.gz RUODRWQRZQCOJX-UHFFFAOYSA-N -1 0 304.262 -0.491 20 0 DBADRM Cn1cc(CNC(=O)N2CCC(C(=O)[O-])CC2)c(=O)[nH]c1=O ZINC001574213358 1026729581 /nfs/dbraw/zinc/72/95/81/1026729581.db2.gz YMIXACVIJBJHRM-UHFFFAOYSA-N -1 0 310.310 -0.508 20 0 DBADRM Cn1cnnc1S(=O)(=O)N1CCc2occc2[C@H]1C(=O)[O-] ZINC001574221471 1026730177 /nfs/dbraw/zinc/73/01/77/1026730177.db2.gz QVOHJMDPZFGWAH-VIFPVBQESA-N -1 0 312.307 -0.219 20 0 DBADRM Cn1ccn2c(CCNC(=O)[C@H]3CC[C@H]3C(=O)[O-])nnc2c1=O ZINC001574224504 1026730862 /nfs/dbraw/zinc/73/08/62/1026730862.db2.gz NFCPEEDXHHCTRB-DTWKUNHWSA-N -1 0 319.321 -0.803 20 0 DBADRM Cn1nnc(C(=O)NCCc2ccc(OCC(=O)[O-])cc2)n1 ZINC001574228398 1026732485 /nfs/dbraw/zinc/73/24/85/1026732485.db2.gz JTVAICPUUOEKMU-UHFFFAOYSA-N -1 0 305.294 -0.354 20 0 DBADRM Cn1ncc2c1CN(S(=O)(=O)Cc1cc(C(=O)[O-])no1)C2 ZINC001574229040 1026732701 /nfs/dbraw/zinc/73/27/01/1026732701.db2.gz RUVNQEMJNPHSPJ-UHFFFAOYSA-N -1 0 312.307 -0.048 20 0 DBADRM Cn1ncc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccncc2)c1N ZINC001574226500 1026733379 /nfs/dbraw/zinc/73/33/79/1026733379.db2.gz ICWJGKKGANEDCL-UWVGGRQHSA-N -1 0 305.294 -0.686 20 0 DBADRM Cn1nccc1C1(O)CN(C(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC001574227968 1026733478 /nfs/dbraw/zinc/73/34/78/1026733478.db2.gz DVAWYFYCDXLULO-MRVPVSSYSA-N -1 0 312.351 -0.497 20 0 DBADRM Cn1nc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)ccc1=O ZINC001574226635 1026734127 /nfs/dbraw/zinc/73/41/27/1026734127.db2.gz NDLAGGDFASDTNC-NWDGAFQWSA-N -1 0 318.289 -0.908 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[C@@H](c2n[nH]cc2C(=O)[O-])C1 ZINC001574247998 1026735071 /nfs/dbraw/zinc/73/50/71/1026735071.db2.gz HSAZVEJQNOJTME-HLTSFMKQSA-N -1 0 306.322 -0.065 20 0 DBADRM NC(=O)CC1CC(NS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C1 ZINC001574247581 1026735817 /nfs/dbraw/zinc/73/58/17/1026735817.db2.gz CVBSULOMMLEANV-AMDVSUOASA-N -1 0 305.356 -0.976 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001574249650 1026736609 /nfs/dbraw/zinc/73/66/09/1026736609.db2.gz YEBNDQHUOZHTSO-LBPRGKRZSA-N -1 0 320.367 -0.840 20 0 DBADRM NC(=O)C1CCN(C(=O)Cn2c(C(=O)[O-])csc2=O)CC1 ZINC001574249874 1026736774 /nfs/dbraw/zinc/73/67/74/1026736774.db2.gz SQSVPNZFUFRNAN-UHFFFAOYSA-N -1 0 313.335 -0.668 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(Cc2nc(C(=O)[O-])no2)C1 ZINC001574280366 1026747670 /nfs/dbraw/zinc/74/76/70/1026747670.db2.gz LXRKNDVBZXFWPI-ZETCQYMHSA-N -1 0 304.328 -0.732 20 0 DBADRM NC(=O)CC1(CNC(=O)Nc2nnc(CC(=O)[O-])s2)CC1 ZINC001574248474 1026737701 /nfs/dbraw/zinc/73/77/01/1026737701.db2.gz KDSZOCVEZSSVIB-UHFFFAOYSA-N -1 0 313.339 -0.058 20 0 DBADRM NC(=O)C1(CNC(=O)[C@@H]2CSCN2C(=O)[O-])CCOCC1 ZINC001574248850 1026738204 /nfs/dbraw/zinc/73/82/04/1026738204.db2.gz MIUFFBMEUDGVEF-QMMMGPOBSA-N -1 0 317.367 -0.562 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)nn1 ZINC001574250465 1026738711 /nfs/dbraw/zinc/73/87/11/1026738711.db2.gz DEVKZHCVZJPDRU-SSDOTTSWSA-N -1 0 314.323 -0.182 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)c1ccc(Cc2nnc[nH]2)cc1 ZINC001574255252 1026739099 /nfs/dbraw/zinc/73/90/99/1026739099.db2.gz VFTVVRTYLZQRCC-UHFFFAOYSA-N -1 0 317.305 -0.592 20 0 DBADRM NC(=O)CC1(CNC(=O)N2C[C@H](C(=O)[O-])C3(COC3)C2)CC1 ZINC001574250047 1026740515 /nfs/dbraw/zinc/74/05/15/1026740515.db2.gz VLSDRJFIHXSYDF-SECBINFHSA-N -1 0 311.338 -0.615 20 0 DBADRM NC(=O)Cn1cc(CN[C@H](C(=O)[O-])c2cccc(O)c2)nn1 ZINC001574257444 1026741765 /nfs/dbraw/zinc/74/17/65/1026741765.db2.gz YRDCVFXGJJKGRH-LBPRGKRZSA-N -1 0 305.294 -0.616 20 0 DBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@@H](O)CC(=O)[O-])C1 ZINC001574259648 1026742210 /nfs/dbraw/zinc/74/22/10/1026742210.db2.gz RTLPBIHYEVMECB-CABZTGNLSA-N -1 0 321.333 -0.684 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)cc1 ZINC001574260195 1026742283 /nfs/dbraw/zinc/74/22/83/1026742283.db2.gz WGHVURBEHKKJLY-QWRGUYRKSA-N -1 0 307.306 -0.514 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(c2ccc(C(=O)[O-])cn2)C1 ZINC001574257297 1026742306 /nfs/dbraw/zinc/74/23/06/1026742306.db2.gz VUUPEXXJXXJTLJ-ZJUUUORDSA-N -1 0 304.306 -0.794 20 0 DBADRM NC(=O)Cc1occc1C(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC001574257274 1026742418 /nfs/dbraw/zinc/74/24/18/1026742418.db2.gz VGVFQPMGSSEMKO-AWEZNQCLSA-N -1 0 310.306 -0.081 20 0 DBADRM NC(=O)c1cn(C2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001574258919 1026743140 /nfs/dbraw/zinc/74/31/40/1026743140.db2.gz CIHKUEQIGUWEDD-RKDXNWHRSA-N -1 0 307.310 -0.739 20 0 DBADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001574266693 1026743923 /nfs/dbraw/zinc/74/39/23/1026743923.db2.gz NEHXYBVNTUMIBZ-HTQZYQBOSA-N -1 0 311.294 -0.739 20 0 DBADRM NC(=O)c1nccnc1NC1CN(c2ccc(C(=O)[O-])cn2)C1 ZINC001574261577 1026744061 /nfs/dbraw/zinc/74/40/61/1026744061.db2.gz AYNIEOGJFYFGKP-UHFFFAOYSA-N -1 0 314.305 -0.031 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)ccn1 ZINC001574280292 1026748541 /nfs/dbraw/zinc/74/85/41/1026748541.db2.gz KDFKUYOUBWTMNQ-MRVPVSSYSA-N -1 0 314.323 -0.789 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC001574279495 1026748724 /nfs/dbraw/zinc/74/87/24/1026748724.db2.gz DEIJLMULUXWPKA-SCZZXKLOSA-N -1 0 308.356 -0.949 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C[C@H]2C=CS(=O)(=O)C2)cn1 ZINC001574292553 1026749955 /nfs/dbraw/zinc/74/99/55/1026749955.db2.gz BUYOIEIMHLDBJD-SECBINFHSA-N -1 0 313.335 -0.354 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCN1CCCC1=O)[C@@H](O)c1ccncc1 ZINC001574293276 1026752334 /nfs/dbraw/zinc/75/23/34/1026752334.db2.gz AZXFDHWVOXEKBU-KBPBESRZSA-N -1 0 321.333 -0.303 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CC1OCCCO1)[C@H](O)c1cccnc1 ZINC001574294027 1026752440 /nfs/dbraw/zinc/75/24/40/1026752440.db2.gz UFBZESANGNXQKQ-QWHCGFSZSA-N -1 0 310.306 -0.163 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CNC(=O)C1CC1)[C@@H](O)c1cccnc1 ZINC001574300116 1026752785 /nfs/dbraw/zinc/75/27/85/1026752785.db2.gz BCEQCJWVIAHIOX-RYUDHWBXSA-N -1 0 307.306 -0.789 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCN1CCCC1=O)[C@@H](O)c1ccncc1 ZINC001574293277 1026753331 /nfs/dbraw/zinc/75/33/31/1026753331.db2.gz AZXFDHWVOXEKBU-KGLIPLIRSA-N -1 0 321.333 -0.303 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCCCC1=O)[C@@H](O)c1ccncc1 ZINC001574299509 1026753610 /nfs/dbraw/zinc/75/36/10/1026753610.db2.gz LXRVAALCAQAZAN-KGLIPLIRSA-N -1 0 321.333 -0.303 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@@H]1CCNC1=O)[C@@H](O)c1ccncc1 ZINC001574293575 1026753739 /nfs/dbraw/zinc/75/37/39/1026753739.db2.gz KZVWOTQMWPETPC-WCQGTBRESA-N -1 0 307.306 -0.789 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)CCc2ccc(=O)[nH]c2)C1 ZINC001574299728 1026753747 /nfs/dbraw/zinc/75/37/47/1026753747.db2.gz RCQNAYMIFMTMSH-GHMZBOCLSA-N -1 0 309.322 -0.193 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCn1cncn1)[C@@H](O)c1ccncc1 ZINC001574299526 1026753788 /nfs/dbraw/zinc/75/37/88/1026753788.db2.gz MSRJEIVMCYMHNA-RYUDHWBXSA-N -1 0 305.294 -0.634 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCOCC1)[C@H](O)c1ccncc1 ZINC001574300128 1026754679 /nfs/dbraw/zinc/75/46/79/1026754679.db2.gz BRRHMVMVDDWQOL-QWHCGFSZSA-N -1 0 309.322 -0.983 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)COCc2ccncc2)[C@@H](CO)C1 ZINC001574302506 1026754970 /nfs/dbraw/zinc/75/49/70/1026754970.db2.gz JMQDCWZNKKTFCL-NEPJUHHUSA-N -1 0 309.322 -0.315 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CNCC(F)(F)F)[C@@H](O)c1ccncc1 ZINC001574300701 1026755171 /nfs/dbraw/zinc/75/51/71/1026755171.db2.gz VSWRPUJVINNGSO-UWVGGRQHSA-N -1 0 321.255 -0.164 20 0 DBADRM O=C([O-])[C@](NC(=O)Cn1ncnn1)(C1CCC1)C(F)(F)F ZINC001574301709 1026755699 /nfs/dbraw/zinc/75/56/99/1026755699.db2.gz HWHMDGJMZKJHNH-SECBINFHSA-N -1 0 307.232 -0.025 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)Cn2nnc3ccccc32)C1 ZINC001574301664 1026755967 /nfs/dbraw/zinc/75/59/67/1026755967.db2.gz FNPHDLLJGUXCLD-MWLCHTKSSA-N -1 0 319.321 -0.482 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cc(CO)on1)[C@@H](O)c1cccnc1 ZINC001574309572 1026757272 /nfs/dbraw/zinc/75/72/72/1026757272.db2.gz YEOVDXABGPVJJZ-QWRGUYRKSA-N -1 0 307.262 -0.522 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cccn2nnnc12)[C@@H]1CCCOC1 ZINC001574309107 1026757288 /nfs/dbraw/zinc/75/72/88/1026757288.db2.gz SOORCHQTDXCDIM-SCZZXKLOSA-N -1 0 305.294 -0.266 20 0 DBADRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)c1nc2ncccn2n1 ZINC001574307932 1026757340 /nfs/dbraw/zinc/75/73/40/1026757340.db2.gz DOHHTNRFNMVOKG-DTWKUNHWSA-N -1 0 305.294 -0.124 20 0 DBADRM O=C([O-])N1CCC[C@@H](C(=O)N[C@@H](CO)CC2OCCO2)C1 ZINC001574309892 1026757587 /nfs/dbraw/zinc/75/75/87/1026757587.db2.gz HCVFOYZXNZMBTD-NXEZZACHSA-N -1 0 302.327 -0.384 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1ccnc(CO)c1)[C@@H](O)c1ccncc1 ZINC001574307856 1026757641 /nfs/dbraw/zinc/75/76/41/1026757641.db2.gz CBOBZQZONDSKQS-STQMWFEESA-N -1 0 317.301 -0.115 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1cnncc1O)[C@@H](O)c1ccncc1 ZINC001574309154 1026757653 /nfs/dbraw/zinc/75/76/53/1026757653.db2.gz UFWQZMQWPSOWIH-MNOVXSKESA-N -1 0 304.262 -0.506 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1ccc(=O)[nH]n1)[C@@H](O)c1cccnc1 ZINC001574308829 1026758109 /nfs/dbraw/zinc/75/81/09/1026758109.db2.gz PFKNGRSMPQHCHH-MNOVXSKESA-N -1 0 304.262 -0.506 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2cnn3cccnc23)C1 ZINC001574311716 1026759532 /nfs/dbraw/zinc/75/95/32/1026759532.db2.gz NVSHDUMJGJBTQD-PSASIEDQSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1CCC(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001574314026 1026759589 /nfs/dbraw/zinc/75/95/89/1026759589.db2.gz PNUWNHFPKLCSEL-QMMMGPOBSA-N -1 0 309.326 -0.195 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2cnc3c[nH]nc3c2)C1 ZINC001574311749 1026759752 /nfs/dbraw/zinc/75/97/52/1026759752.db2.gz PHPNHQORQXLSGZ-GZMMTYOYSA-N -1 0 305.294 -0.342 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)NCC[C@@H]2CCOC2)C1 ZINC001574319186 1026761381 /nfs/dbraw/zinc/76/13/81/1026761381.db2.gz HLWMCUYHYXGMOB-VWYCJHECSA-N -1 0 301.343 -0.317 20 0 DBADRM O=C([O-])N1CCC[C@H](C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001574321825 1026762155 /nfs/dbraw/zinc/76/21/55/1026762155.db2.gz GVNAXLCAXIPIGC-CABZTGNLSA-N -1 0 320.367 -0.958 20 0 DBADRM O=C([O-])c1nc[nH]c1CNC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001574334938 1026763839 /nfs/dbraw/zinc/76/38/39/1026763839.db2.gz WPDNLFXUPQNGLK-RKDXNWHRSA-N -1 0 306.282 -0.675 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)Nc2cnc3nccn3c2)C1 ZINC001574345071 1026764335 /nfs/dbraw/zinc/76/43/35/1026764335.db2.gz DPHWJUYLLOGFIB-WPRPVWTQSA-N -1 0 320.309 -0.179 20 0 DBADRM O=C([O-])[C@H](F)C1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001574347446 1026765954 /nfs/dbraw/zinc/76/59/54/1026765954.db2.gz YGTIDQHBKUJGEZ-SECBINFHSA-N -1 0 305.327 -0.308 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)CCC1 ZINC001574352920 1026765895 /nfs/dbraw/zinc/76/58/95/1026765895.db2.gz ZDIIRPGBYQBYKB-MRVPVSSYSA-N -1 0 311.381 -0.652 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)Nc2nnc3ccccn32)C1 ZINC001574345761 1026766842 /nfs/dbraw/zinc/76/68/42/1026766842.db2.gz OQGPFGWDYTUKHL-DTWKUNHWSA-N -1 0 320.309 -0.179 20 0 DBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)CCOC2CCOCC2)C1 ZINC001574355424 1026766901 /nfs/dbraw/zinc/76/69/01/1026766901.db2.gz CFXQQXBXAXMRGM-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)Nc2ccnc3ccnn32)C1 ZINC001574346530 1026767025 /nfs/dbraw/zinc/76/70/25/1026767025.db2.gz XWASRNRBWBLMRZ-RKDXNWHRSA-N -1 0 320.309 -0.179 20 0 DBADRM O=C([O-])[C@@H](F)C1CN(C(=O)NCc2nc3ncccn3n2)C1 ZINC001574347187 1026767270 /nfs/dbraw/zinc/76/72/70/1026767270.db2.gz XZZLNKVGXRMYEF-VIFPVBQESA-N -1 0 308.273 -0.312 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)CCC1 ZINC001574352164 1026767351 /nfs/dbraw/zinc/76/73/51/1026767351.db2.gz QMPGMTUYPFRDCQ-QMMMGPOBSA-N -1 0 311.381 -0.510 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2O ZINC001574358821 1026768124 /nfs/dbraw/zinc/76/81/24/1026768124.db2.gz ZEARPQJUTKHBTE-RDDDGLTNSA-N -1 0 310.306 -0.278 20 0 DBADRM O=C([O-])C[C@@H](CO)NC(=O)CCNC(=O)Cc1ccccc1 ZINC001574356302 1026768300 /nfs/dbraw/zinc/76/83/00/1026768300.db2.gz CUVBXQBRHLEKSX-LBPRGKRZSA-N -1 0 308.334 -0.313 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cc3n(n2)CCC[C@H]3O)CC12COC2 ZINC001574356190 1026768742 /nfs/dbraw/zinc/76/87/42/1026768742.db2.gz ZUDCCNKZHTXRLP-BXKDBHETSA-N -1 0 321.333 -0.117 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001574358414 1026768823 /nfs/dbraw/zinc/76/88/23/1026768823.db2.gz WEBJWUFSLOHUNQ-FFTROKDMSA-N -1 0 304.302 -0.152 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)CCN2CCOC2=O)CC1 ZINC001574356084 1026768988 /nfs/dbraw/zinc/76/89/88/1026768988.db2.gz YCTMBAZXLLGKBN-UHFFFAOYSA-N -1 0 306.340 -0.435 20 0 DBADRM O=C([O-])[C@@H]1CSCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001574357136 1026769190 /nfs/dbraw/zinc/76/91/90/1026769190.db2.gz NUJRAQFFMSVDNP-QMMMGPOBSA-N -1 0 306.307 -0.139 20 0 DBADRM O=C([O-])[C@H]1CSCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001574357135 1026769844 /nfs/dbraw/zinc/76/98/44/1026769844.db2.gz NUJRAQFFMSVDNP-MRVPVSSYSA-N -1 0 306.307 -0.139 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001574363104 1026770301 /nfs/dbraw/zinc/77/03/01/1026770301.db2.gz NVXVPJALPFFNII-JOYOIKCWSA-N -1 0 305.352 -0.751 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC001574364461 1026770557 /nfs/dbraw/zinc/77/05/57/1026770557.db2.gz YIYMJEJDUQRECW-VHSXEESVSA-N -1 0 308.338 -0.234 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC001574362126 1026770668 /nfs/dbraw/zinc/77/06/68/1026770668.db2.gz JWVIJUQPOMNGKR-ZDUSSCGKSA-N -1 0 320.345 -0.265 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001574362846 1026770867 /nfs/dbraw/zinc/77/08/67/1026770867.db2.gz MGIMAYMARQAPIY-UMNHJUIQSA-N -1 0 306.318 -0.370 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001574363096 1026770945 /nfs/dbraw/zinc/77/09/45/1026770945.db2.gz NVXVPJALPFFNII-BXKDBHETSA-N -1 0 305.352 -0.751 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC001574362728 1026771285 /nfs/dbraw/zinc/77/12/85/1026771285.db2.gz VOPMVHPTUAGEDU-ONGXEEELSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)c1cn(C(F)(F)CO)nn1 ZINC001574361395 1026771294 /nfs/dbraw/zinc/77/12/94/1026771294.db2.gz GPNSCSYCXUDUGR-SSDOTTSWSA-N -1 0 304.253 -0.101 20 0 DBADRM O=C([O-])CC1(NS(=O)(=O)CCC2CCOCC2)COC1 ZINC001574365134 1026771305 /nfs/dbraw/zinc/77/13/05/1026771305.db2.gz NUJGBGDQSXKLMG-UHFFFAOYSA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001574361853 1026771399 /nfs/dbraw/zinc/77/13/99/1026771399.db2.gz OCGFRXFQAMRCIW-QMMMGPOBSA-N -1 0 320.309 -0.434 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001574363337 1026771429 /nfs/dbraw/zinc/77/14/29/1026771429.db2.gz OXDDHNXPWHLIJD-QWHCGFSZSA-N -1 0 320.345 -0.013 20 0 DBADRM O=C([O-])CN1CCCN(C(=O)C[C@@H]2C=CS(=O)(=O)C2)CC1 ZINC001574372553 1026772353 /nfs/dbraw/zinc/77/23/53/1026772353.db2.gz UVFYOYHGTLQROL-NSHDSACASA-N -1 0 316.379 -0.446 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)NCCn2cnnc2)c1 ZINC001574371064 1026772581 /nfs/dbraw/zinc/77/25/81/1026772581.db2.gz IZOPHAYHHVPOCW-UHFFFAOYSA-N -1 0 310.335 -0.116 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)NC[C@H]2CNC(=O)C2)c1 ZINC001574371060 1026772690 /nfs/dbraw/zinc/77/26/90/1026772690.db2.gz IWINNYOWXZOKNX-SNVBAGLBSA-N -1 0 312.347 -0.272 20 0 DBADRM O=C([O-])CNC(=O)C1CCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC001574372084 1026772822 /nfs/dbraw/zinc/77/28/22/1026772822.db2.gz PDUZZUGTAIHJDT-SECBINFHSA-N -1 0 312.322 -0.621 20 0 DBADRM O=C([O-])CC1(S(=O)(=O)N2CCO[C@@H]3COCC[C@@H]32)CC1 ZINC001574365154 1026773860 /nfs/dbraw/zinc/77/38/60/1026773860.db2.gz OKUMWKWZBDYAJJ-VHSXEESVSA-N -1 0 305.352 -0.187 20 0 DBADRM O=C([O-])CCNC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 ZINC001574368363 1026774064 /nfs/dbraw/zinc/77/40/64/1026774064.db2.gz PNOHDMKNAKNMSE-UHFFFAOYSA-N -1 0 315.347 -0.414 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2C[C@@H](CO)[C@H](CCO)C2)n1 ZINC001574375176 1026774449 /nfs/dbraw/zinc/77/44/49/1026774449.db2.gz HUVOPBWIBRWXIP-ZJUUUORDSA-N -1 0 312.326 -0.578 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)[C@]2(F)CCS(=O)(=O)C2)n1 ZINC001574375375 1026774860 /nfs/dbraw/zinc/77/48/60/1026774860.db2.gz MKZPWLUXNPGTSB-JTQLQIEISA-N -1 0 305.287 -0.567 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NS(=O)(=O)c2cncc(F)c2)C1 ZINC001574377181 1026774775 /nfs/dbraw/zinc/77/47/75/1026774775.db2.gz NXBMEYUFGOSNNE-XVKPBYJWSA-N -1 0 319.314 -0.530 20 0 DBADRM O=C([O-])N1CC[C@H](NS(=O)(=O)CCN2CCOC2=O)C1 ZINC001574376295 1026775210 /nfs/dbraw/zinc/77/52/10/1026775210.db2.gz BLLQQAYUCBQZKI-QMMMGPOBSA-N -1 0 307.328 -0.890 20 0 DBADRM O=C([O-])Cn1cccc(NC(=O)NCc2ccc(O)nn2)c1=O ZINC001574375257 1026775233 /nfs/dbraw/zinc/77/52/33/1026775233.db2.gz IRKJFKDEBGZSBJ-UHFFFAOYSA-N -1 0 319.277 -0.250 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NS(=O)(=O)Cc2ccno2)C1 ZINC001574377114 1026775642 /nfs/dbraw/zinc/77/56/42/1026775642.db2.gz MVAHASIXVVVLOU-CBAPKCEASA-N -1 0 305.312 -0.935 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)c2cc3c([nH]c2=O)CCOC3)n1 ZINC001574377174 1026775871 /nfs/dbraw/zinc/77/58/71/1026775871.db2.gz NTPYHWSTSGPUSZ-UHFFFAOYSA-N -1 0 319.277 -0.212 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)N2CCc3ncncc3C2)n1 ZINC001574375314 1026775962 /nfs/dbraw/zinc/77/59/62/1026775962.db2.gz KHMPLWWVFWJLPE-UHFFFAOYSA-N -1 0 303.282 -0.257 20 0 DBADRM O=C([O-])Cc1nnc(NC(=O)N[C@@H]2CCOC[C@H]2O)s1 ZINC001574375629 1026775977 /nfs/dbraw/zinc/77/59/77/1026775977.db2.gz SMNKFPVSMFCHKG-PHDIDXHHSA-N -1 0 302.312 -0.564 20 0 DBADRM O=C([O-])Cc1nnc(NC(=O)NCC[C@H]2CNC(=O)C2)s1 ZINC001574375581 1026776157 /nfs/dbraw/zinc/77/61/57/1026776157.db2.gz ROVNJNDIFJZZNM-ZCFIWIBFSA-N -1 0 313.339 -0.187 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)NCCS(=O)(=O)C3CC3)C[C@@H]21 ZINC001574400373 1026776934 /nfs/dbraw/zinc/77/69/34/1026776934.db2.gz NWJHBDMAAPZIBO-OUAUKWLOSA-N -1 0 316.379 -0.074 20 0 DBADRM O=C([O-])[C@@H]1C2CCC(CC2)N1C(=O)CN1CCCS1(=O)=O ZINC001574384823 1026777300 /nfs/dbraw/zinc/77/73/00/1026777300.db2.gz RFWXBBJGGLHOQU-CBINBANVSA-N -1 0 316.379 -0.124 20 0 DBADRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCc1nc(CO)n[nH]1 ZINC001574381198 1026777611 /nfs/dbraw/zinc/77/76/11/1026777611.db2.gz YADGELSUYPQMTR-SNVBAGLBSA-N -1 0 319.321 -0.208 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@H]2CCc3nncn3CC2)cn1 ZINC001574414572 1026779527 /nfs/dbraw/zinc/77/95/27/1026779527.db2.gz FROOEVVQBOZVBI-JTQLQIEISA-N -1 0 318.337 -0.058 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCc2nnc3n2CCNC3=O)nc1 ZINC001574412575 1026780524 /nfs/dbraw/zinc/78/05/24/1026780524.db2.gz GWPOXFXYVDVUHC-UHFFFAOYSA-N -1 0 316.277 -0.955 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCc1nnc2n1CCC2 ZINC001574417544 1026782224 /nfs/dbraw/zinc/78/22/24/1026782224.db2.gz LRQSNEMYYDPZHJ-UHFFFAOYSA-N -1 0 312.311 -0.876 20 0 DBADRM Cc1nc(CS(=O)(=O)NC2(C(=O)[O-])CCOCC2)no1 ZINC001574422171 1026782746 /nfs/dbraw/zinc/78/27/46/1026782746.db2.gz ZOKRVMQUAVRGPQ-UHFFFAOYSA-N -1 0 305.312 -0.569 20 0 DBADRM O=C([O-])c1cnn2c1nccc2C(=O)N1CCC(CO)(CO)C1 ZINC001574418449 1026783006 /nfs/dbraw/zinc/78/30/06/1026783006.db2.gz ZVCBLXWHCPOAKM-UHFFFAOYSA-N -1 0 320.305 -0.756 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC001574417271 1026783162 /nfs/dbraw/zinc/78/31/62/1026783162.db2.gz IIXNSAYNQISYJR-LURJTMIESA-N -1 0 314.323 -0.851 20 0 DBADRM O=C([O-])c1cnn2ccc(NC(=O)N3C[C@@H](O)C[C@H]3CO)cc12 ZINC001574423404 1026784621 /nfs/dbraw/zinc/78/46/21/1026784621.db2.gz WKGYYMYCLXKRBP-UWVGGRQHSA-N -1 0 320.305 -0.008 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)[C@@H]2CC(c3cccnc3)=NO2)n1 ZINC001574423693 1026784641 /nfs/dbraw/zinc/78/46/41/1026784641.db2.gz YNUWVAQQFIPNJK-VIFPVBQESA-N -1 0 316.277 -0.293 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)[C@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)n1 ZINC001574429884 1026785142 /nfs/dbraw/zinc/78/51/42/1026785142.db2.gz ABDKWRNHDNJGHB-HRDYMLBCSA-N -1 0 321.337 -0.186 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@H]1CCC(=O)N1)[C@@H](O)c1ccncc1 ZINC001574431506 1026786840 /nfs/dbraw/zinc/78/68/40/1026786840.db2.gz ZTZDETIFTGWFHJ-ICCXJUOJSA-N -1 0 307.306 -0.647 20 0 DBADRM O=C([O-])c1cc(CNC(=O)N2[C@@H]3CC[C@H]2CNC(=O)C3)on1 ZINC001574431495 1026787137 /nfs/dbraw/zinc/78/71/37/1026787137.db2.gz ZGWWVBPLEPMOIG-SFYZADRCSA-N -1 0 308.294 -0.065 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCNC(=O)CC1)[C@H](O)c1cccnc1 ZINC001574431131 1026787155 /nfs/dbraw/zinc/78/71/55/1026787155.db2.gz TXUBOFKXYFXHDH-TVYUQYBPSA-N -1 0 321.333 -0.399 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cnc3c(c2)CNC3=O)CCO1 ZINC001574435988 1026787958 /nfs/dbraw/zinc/78/79/58/1026787958.db2.gz ZYJXXRWOMHIFBG-VIFPVBQESA-N -1 0 306.278 -0.358 20 0 DBADRM O=C([O-])N1CCC(S(=O)(=O)N[C@@H]2CCNC(=O)CC2)CC1 ZINC001574430947 1026788493 /nfs/dbraw/zinc/78/84/93/1026788493.db2.gz PWEQATMMVIIPAA-VIFPVBQESA-N -1 0 319.383 -0.283 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)c3cn(CC(=O)[O-])nn3)ccnc1-2 ZINC001574446745 1026789301 /nfs/dbraw/zinc/78/93/01/1026789301.db2.gz YJVIILYBKAFPGC-UHFFFAOYSA-N -1 0 301.266 -0.730 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC2(COC(=O)N2)CC1 ZINC001574462235 1026791172 /nfs/dbraw/zinc/79/11/72/1026791172.db2.gz GFFAEMUMYGSUCI-UHFFFAOYSA-N -1 0 308.294 -0.167 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@@H](CC(N)=O)C1CCOCC1 ZINC001574466133 1026791697 /nfs/dbraw/zinc/79/16/97/1026791697.db2.gz VUUGAZCICCSSRG-VIFPVBQESA-N -1 0 324.337 -0.481 20 0 DBADRM NC(=O)CSCC(=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001574499630 1026792496 /nfs/dbraw/zinc/79/24/96/1026792496.db2.gz ASFTUZLGEHTIAW-UHFFFAOYSA-N -1 0 314.323 -0.732 20 0 DBADRM NC(=O)c1cccc(NC(=O)c2cccn(CC(=O)[O-])c2=O)n1 ZINC001574503185 1026792722 /nfs/dbraw/zinc/79/27/22/1026792722.db2.gz SRYWLVPCEJLOEG-UHFFFAOYSA-N -1 0 316.273 -0.321 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001574512690 1026792938 /nfs/dbraw/zinc/79/29/38/1026792938.db2.gz VFKIEELEBFDISU-OCAPTIKFSA-N -1 0 304.310 -0.222 20 0 DBADRM NC(=O)Cn1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)nn1 ZINC001574500613 1026793063 /nfs/dbraw/zinc/79/30/63/1026793063.db2.gz PSEFVXWNDLHHHN-SECBINFHSA-N -1 0 309.326 -0.520 20 0 DBADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)NN1CCS(=O)(=O)CC1 ZINC001574513989 1026793418 /nfs/dbraw/zinc/79/34/18/1026793418.db2.gz QHUWCNDEHQANOR-RQOWECAXSA-N -1 0 314.319 -0.247 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)c2coc(/C=C/C(=O)[O-])c2)CC1 ZINC001574508536 1026793597 /nfs/dbraw/zinc/79/35/97/1026793597.db2.gz YMBKDIWGPMMDSQ-OWOJBTEDSA-N -1 0 314.319 -0.072 20 0 DBADRM COc1cc2nc(C(=O)NCC(=O)[O-])c(=O)n(C)c2cc1OC ZINC001574607978 1026798468 /nfs/dbraw/zinc/79/84/68/1026798468.db2.gz OGBKQDIDUBKYNN-UHFFFAOYSA-N -1 0 321.289 -0.235 20 0 DBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)N=S1(=O)CCCC1 ZINC001574661185 1026799576 /nfs/dbraw/zinc/79/95/76/1026799576.db2.gz IJRHKIPMXKOFOM-QMMMGPOBSA-N -1 0 312.369 -0.722 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC001574644405 1026799589 /nfs/dbraw/zinc/79/95/89/1026799589.db2.gz UUTSQRBWWGZVLE-UWVGGRQHSA-N -1 0 324.314 -0.139 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NC[C@@H](n2cncn2)C(F)(F)F)C1 ZINC001574644759 1026800050 /nfs/dbraw/zinc/80/00/50/1026800050.db2.gz YTIQSCCTDJWYNG-NKWVEPMBSA-N -1 0 321.215 -0.273 20 0 DBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)N=S1(=O)CCCC1 ZINC001574661184 1026800165 /nfs/dbraw/zinc/80/01/65/1026800165.db2.gz IJRHKIPMXKOFOM-MRVPVSSYSA-N -1 0 312.369 -0.722 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@H](CCO)C2CCOCC2)C1 ZINC001574644024 1026800556 /nfs/dbraw/zinc/80/05/56/1026800556.db2.gz MJUVCAZDJINAIK-KOLCDFICSA-N -1 0 300.311 -0.490 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccnc(F)c1 ZINC001574668563 1026801818 /nfs/dbraw/zinc/80/18/18/1026801818.db2.gz ABPZQAKIHKBFMQ-MRVPVSSYSA-N -1 0 302.283 -0.456 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCc1ccncn1 ZINC001574669140 1026801727 /nfs/dbraw/zinc/80/17/27/1026801727.db2.gz QGSOJVMEJVISDS-SNVBAGLBSA-N -1 0 313.335 -0.881 20 0 DBADRM O=C([O-])CN(CC1CC1)C(=O)CNC(=O)c1ncccc1O ZINC001574710893 1026801756 /nfs/dbraw/zinc/80/17/56/1026801756.db2.gz HLJVKIMNKKZXML-UHFFFAOYSA-N -1 0 307.306 -0.160 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)COc1ccsn1 ZINC001574668727 1026802232 /nfs/dbraw/zinc/80/22/32/1026802232.db2.gz IBJAIWVKESSUKW-SSDOTTSWSA-N -1 0 320.348 -0.768 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCc2cccc(=O)[nH]2)C1=O ZINC001574718692 1026802626 /nfs/dbraw/zinc/80/26/26/1026802626.db2.gz BGDBAEYUZKMOBZ-JTQLQIEISA-N -1 0 307.306 -0.273 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)Cc2cncc(O)c2)C1=O ZINC001574720955 1026803301 /nfs/dbraw/zinc/80/33/01/1026803301.db2.gz AWZRCIXOQWRADN-GFCCVEGCSA-N -1 0 321.333 -0.088 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NCCCCCO)C1=O ZINC001574721949 1026803451 /nfs/dbraw/zinc/80/34/51/1026803451.db2.gz IZUHDXQWOPULOE-NSHDSACASA-N -1 0 315.370 -0.086 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)C[C@@H]2CCNC2=O)C1=O ZINC001574723133 1026803489 /nfs/dbraw/zinc/80/34/89/1026803489.db2.gz XGCLRAAQSYTADS-UWVGGRQHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)CCn2cncn2)C1=O ZINC001574721924 1026803519 /nfs/dbraw/zinc/80/35/19/1026803519.db2.gz ILPXHNYENWIWSM-JTQLQIEISA-N -1 0 309.326 -0.750 20 0 DBADRM CCOC(=O)c1cc(=NC(=O)c2cnc(COC)nc2N)[nH][n-]1 ZINC000569278367 412490870 /nfs/dbraw/zinc/49/08/70/412490870.db2.gz PMHFFHHLNIJBAB-UHFFFAOYSA-N -1 0 320.309 -0.221 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(C)onc2N)C1 ZINC000577507502 412493982 /nfs/dbraw/zinc/49/39/82/412493982.db2.gz FJRATMMSRBZSRH-NSHDSACASA-N -1 0 319.339 -0.323 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)Cn1[n-]c(SC)nc1=O ZINC000355931294 536654689 /nfs/dbraw/zinc/65/46/89/536654689.db2.gz OXCSDZPPLHSIKT-QMMMGPOBSA-N -1 0 316.383 -0.003 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000577489819 412523645 /nfs/dbraw/zinc/52/36/45/412523645.db2.gz ZGCZAEWEEHAEFE-UHFFFAOYSA-N -1 0 319.339 -0.180 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000515379685 412528282 /nfs/dbraw/zinc/52/82/82/412528282.db2.gz LROPFZHHYCZMKY-ZETCQYMHSA-N -1 0 305.312 -0.571 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C(=O)[O-] ZINC000573093513 412527764 /nfs/dbraw/zinc/52/77/64/412527764.db2.gz GLIBEIDYIBXOPL-VMHSAVOQSA-N -1 0 319.339 -0.184 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000569967023 412528973 /nfs/dbraw/zinc/52/89/73/412528973.db2.gz PSOFDVOGWKMYAU-UHFFFAOYSA-N -1 0 319.339 -0.133 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000575320615 412529188 /nfs/dbraw/zinc/52/91/88/412529188.db2.gz AVLCWYDKRHKWCU-NKWVEPMBSA-N -1 0 305.312 -0.667 20 0 DBADRM Cc1cc(C)n2[n-]c(=NC(=O)NCCc3nc(N)no3)nc2n1 ZINC000437292846 412532562 /nfs/dbraw/zinc/53/25/62/412532562.db2.gz YDWFREZWRKCYIT-UHFFFAOYSA-N -1 0 317.313 -0.508 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000376672730 290869883 /nfs/dbraw/zinc/86/98/83/290869883.db2.gz MLHNPXLZFBHCNZ-LLVKDONJSA-N -1 0 309.340 -0.651 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000262066649 282679658 /nfs/dbraw/zinc/67/96/58/282679658.db2.gz CJXPBWHTHHHMKF-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000262396722 283107734 /nfs/dbraw/zinc/10/77/34/283107734.db2.gz SYPANAUAZOSWPN-UHFFFAOYSA-N -1 0 307.372 -0.775 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000276574601 138096010 /nfs/dbraw/zinc/09/60/10/138096010.db2.gz LLRMFELLLUPROO-SNVBAGLBSA-N -1 0 319.325 -0.269 20 0 DBADRM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@H](C)C(F)(F)F ZINC000341665669 138112761 /nfs/dbraw/zinc/11/27/61/138112761.db2.gz MBPWZLIYOARWTA-ZCFIWIBFSA-N -1 0 312.335 -0.204 20 0 DBADRM NC(=O)[C@@H](CO)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000341749932 138113864 /nfs/dbraw/zinc/11/38/64/138113864.db2.gz WENIAYSYAPSKRF-SECBINFHSA-N -1 0 324.724 -0.193 20 0 DBADRM C[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)[N-]CC(F)(F)F ZINC000341955512 138117046 /nfs/dbraw/zinc/11/70/46/138117046.db2.gz CAZJJUNDGOHZHT-NTSWFWBYSA-N -1 0 310.319 -0.594 20 0 DBADRM O=C([O-])C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000354986579 138138768 /nfs/dbraw/zinc/13/87/68/138138768.db2.gz XSJFSLVPHJOKIT-UHFFFAOYSA-N -1 0 324.717 -0.042 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000354740710 138136470 /nfs/dbraw/zinc/13/64/70/138136470.db2.gz NHYVXVCWMVQFSQ-ZETCQYMHSA-N -1 0 316.383 -0.681 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000357874699 138147087 /nfs/dbraw/zinc/14/70/87/138147087.db2.gz TXOMCIYNCOHMIV-ZETCQYMHSA-N -1 0 315.293 -0.154 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)CCO)c1 ZINC000362188375 138151181 /nfs/dbraw/zinc/15/11/81/138151181.db2.gz NFRUABIBUWUAMV-UHFFFAOYSA-N -1 0 302.352 -0.293 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCCO)c1 ZINC000362177015 138151542 /nfs/dbraw/zinc/15/15/42/138151542.db2.gz CLCDZDMOLVARAX-UHFFFAOYSA-N -1 0 302.352 -0.245 20 0 DBADRM CC(C)(C)c1nc(=NC(=O)C(=O)NC[C@@](C)(O)CO)s[n-]1 ZINC000362221926 138151786 /nfs/dbraw/zinc/15/17/86/138151786.db2.gz TUUHRGWRWPDEEP-GFCCVEGCSA-N -1 0 316.383 -0.945 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CC1=O ZINC000370217994 138155996 /nfs/dbraw/zinc/15/59/96/138155996.db2.gz BNOQXFFEWXODOQ-WEDXCCLWSA-N -1 0 306.322 -0.775 20 0 DBADRM CCc1cc(=O)[nH]c(CN2CCC[C@@]3(C2)NC(=O)NC3=O)n1 ZINC000373848554 138174595 /nfs/dbraw/zinc/17/45/95/138174595.db2.gz CWVCPPYJBRFUSE-AWEZNQCLSA-N -1 0 305.338 -0.081 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000377116161 138191449 /nfs/dbraw/zinc/19/14/49/138191449.db2.gz RLGFARLUVMXWHJ-RYUDHWBXSA-N -1 0 317.411 -0.194 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000408121857 138207609 /nfs/dbraw/zinc/20/76/09/138207609.db2.gz RLNHCWBMFLHSPK-LDYMZIIASA-N -1 0 304.393 -0.016 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)n1 ZINC000408134093 138208086 /nfs/dbraw/zinc/20/80/86/138208086.db2.gz SELOIKONJIPVPM-SECBINFHSA-N -1 0 302.356 -0.155 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000408135012 138208148 /nfs/dbraw/zinc/20/81/48/138208148.db2.gz WWGKLELNOQDUJI-SECBINFHSA-N -1 0 302.356 -0.073 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)[C@H]1CCCOC1 ZINC000408176638 138209691 /nfs/dbraw/zinc/20/96/91/138209691.db2.gz HWXGHEQTZLLOAV-VIFPVBQESA-N -1 0 315.351 -0.103 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)c1 ZINC000408181147 138209694 /nfs/dbraw/zinc/20/96/94/138209694.db2.gz BDVYQAKGXKCLQZ-VIFPVBQESA-N -1 0 303.340 -0.316 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccc(Cl)cn1)[C@H]1COCCO1 ZINC000408371448 138216142 /nfs/dbraw/zinc/21/61/42/138216142.db2.gz BDMCLOSZTNPBPX-MRVPVSSYSA-N -1 0 306.727 -0.045 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)CC1=O ZINC000408250129 138211881 /nfs/dbraw/zinc/21/18/81/138211881.db2.gz IBSYSUKLPPQNHA-QWRGUYRKSA-N -1 0 318.395 -0.273 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)ccc1=O ZINC000408249682 138212300 /nfs/dbraw/zinc/21/23/00/138212300.db2.gz AXPGTASJICQFOR-SNVBAGLBSA-N -1 0 314.363 -0.129 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000408253132 138212988 /nfs/dbraw/zinc/21/29/88/138212988.db2.gz FBJGKLLGBCIMTQ-VXGBXAGGSA-N -1 0 320.411 -0.420 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCO2)[C@H]1COCCO1 ZINC000408278155 138213568 /nfs/dbraw/zinc/21/35/68/138213568.db2.gz UKHSOLAYGLVJMA-LLVKDONJSA-N -1 0 315.303 -0.364 20 0 DBADRM C[C@@H]1OCC[C@]12CN(C(=O)c1cnc([O-])n(C)c1=O)CCO2 ZINC000408298579 138213930 /nfs/dbraw/zinc/21/39/30/138213930.db2.gz PARQVERABVWEJI-XPTSAGLGSA-N -1 0 309.322 -0.494 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000408375275 138216569 /nfs/dbraw/zinc/21/65/69/138216569.db2.gz RRJKYRJTCWIVCL-LLVKDONJSA-N -1 0 303.340 -0.827 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000408388756 138217452 /nfs/dbraw/zinc/21/74/52/138217452.db2.gz WTWCDFNSPXBDOV-SCZZXKLOSA-N -1 0 302.352 -0.768 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)CC1=O ZINC000408429292 138218375 /nfs/dbraw/zinc/21/83/75/138218375.db2.gz XRCCDXFCOYWYPZ-NXEZZACHSA-N -1 0 304.368 -0.520 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000408454495 138219950 /nfs/dbraw/zinc/21/99/50/138219950.db2.gz UWKGGMJEMCATAC-NWDGAFQWSA-N -1 0 320.411 -0.278 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1cc2n(n1)CCCO2 ZINC000408487420 138220199 /nfs/dbraw/zinc/22/01/99/138220199.db2.gz LVZLXFDZPOIIHI-VIFPVBQESA-N -1 0 315.351 -0.096 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1cc2n(n1)CCO2 ZINC000408474527 138220280 /nfs/dbraw/zinc/22/02/80/138220280.db2.gz BWWYSMJGEAYNCK-MRVPVSSYSA-N -1 0 301.324 -0.486 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)C1 ZINC000408484116 138220332 /nfs/dbraw/zinc/22/03/32/138220332.db2.gz YUTQEODGEDGREI-OUAUKWLOSA-N -1 0 318.395 -0.097 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000408483090 138220350 /nfs/dbraw/zinc/22/03/50/138220350.db2.gz WCMCUBXLFOMGOL-DTWKUNHWSA-N -1 0 314.367 -0.483 20 0 DBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000408501578 138220371 /nfs/dbraw/zinc/22/03/71/138220371.db2.gz RHAQGUQOVDWGML-GRYCIOLGSA-N -1 0 302.396 -0.047 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC000408482237 138220394 /nfs/dbraw/zinc/22/03/94/138220394.db2.gz TYMHRACMQNCUTC-UHFFFAOYSA-N -1 0 301.324 -0.425 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)CC2 ZINC000408476719 138220426 /nfs/dbraw/zinc/22/04/26/138220426.db2.gz BZUDXXKPRTXECQ-MWLCHTKSSA-N -1 0 313.379 -0.240 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)cnn1C ZINC000408485473 138220502 /nfs/dbraw/zinc/22/05/02/138220502.db2.gz QGZPXHCVFAYZLA-UHFFFAOYSA-N -1 0 311.323 -0.564 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCOC1)c1cc2n(n1)CCO2 ZINC000408476132 138220536 /nfs/dbraw/zinc/22/05/36/138220536.db2.gz JSOZHCCGYBPHRA-VIFPVBQESA-N -1 0 315.351 -0.238 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)Cn1cccn1 ZINC000420541046 295941821 /nfs/dbraw/zinc/94/18/21/295941821.db2.gz YNAGKVUDXSUFBL-RYUDHWBXSA-N -1 0 322.365 -0.041 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)[C@H]1CCCCS1(=O)=O ZINC000167971462 304078125 /nfs/dbraw/zinc/07/81/25/304078125.db2.gz MRUQRQZCGSPNNV-NXEZZACHSA-N -1 0 305.352 -0.344 20 0 DBADRM CCCS(=O)(=O)CC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000262267793 283412615 /nfs/dbraw/zinc/41/26/15/283412615.db2.gz UFMZXUFSPUMSPG-SECBINFHSA-N -1 0 322.383 -0.751 20 0 DBADRM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCOCC(=O)[O-] ZINC000093227553 283440504 /nfs/dbraw/zinc/44/05/04/283440504.db2.gz GVNHCDXXJXECFD-SNVBAGLBSA-N -1 0 322.383 -0.592 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccoc1 ZINC000285127158 304085615 /nfs/dbraw/zinc/08/56/15/304085615.db2.gz NLDPXLPZTIYUCW-QMMMGPOBSA-N -1 0 323.348 -0.458 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000035296097 283543007 /nfs/dbraw/zinc/54/30/07/283543007.db2.gz JHWBQMYEDAWIEM-UHFFFAOYSA-N -1 0 300.336 -0.320 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000367242997 291225384 /nfs/dbraw/zinc/22/53/84/291225384.db2.gz GNOOZYKUOZZKJM-QMMMGPOBSA-N -1 0 309.340 -0.651 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(S(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC000113282585 283560499 /nfs/dbraw/zinc/56/04/99/283560499.db2.gz HDGSQGSNKLYGNO-QMMMGPOBSA-N -1 0 308.356 -0.048 20 0 DBADRM Cc1nnnn1-c1cccc(NC(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000128716650 283568412 /nfs/dbraw/zinc/56/84/12/283568412.db2.gz PQKFJNPJCRKBIC-UHFFFAOYSA-N -1 0 315.297 -0.296 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])C1 ZINC000250670655 283594723 /nfs/dbraw/zinc/59/47/23/283594723.db2.gz LWBOEPYZDFYMNL-NXEZZACHSA-N -1 0 322.383 -0.089 20 0 DBADRM Cc1nc(C)c(CC(=O)N2CCN(C[C@@H](C)O)CC2)c(=O)[nH]1 ZINC000444382777 238278893 /nfs/dbraw/zinc/27/88/93/238278893.db2.gz GWJLNBLXXXSQPL-SNVBAGLBSA-N -1 0 308.382 -0.133 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000447742898 238333069 /nfs/dbraw/zinc/33/30/69/238333069.db2.gz RKFVZHSZWWVFBN-UOWDBTKRSA-N -1 0 320.305 -0.294 20 0 DBADRM O=C([O-])COCCNC(=O)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000448989244 238350267 /nfs/dbraw/zinc/35/02/67/238350267.db2.gz GDCHEEGRRWCNIN-JTQLQIEISA-N -1 0 316.379 -0.095 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CSCN1C(=O)C1CCC1)C(=O)[O-] ZINC000449005452 238350317 /nfs/dbraw/zinc/35/03/17/238350317.db2.gz VMFMIVKMCIVWNS-UWVGGRQHSA-N -1 0 316.379 -0.096 20 0 DBADRM C[C@H](NC(=O)COc1ccccc1)C(=O)NCCOCC(=O)[O-] ZINC000449000111 238350653 /nfs/dbraw/zinc/35/06/53/238350653.db2.gz YGGCKCANMCSEBU-NSHDSACASA-N -1 0 324.333 -0.213 20 0 DBADRM O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1n[nH]c(=O)[n-]1 ZINC000532621018 283621715 /nfs/dbraw/zinc/62/17/15/283621715.db2.gz FCLCWZDBCWAQOO-UHFFFAOYSA-N -1 0 314.298 -0.147 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)NC1(C(=O)[O-])CCCC1 ZINC000533184175 283631626 /nfs/dbraw/zinc/63/16/26/283631626.db2.gz WMLJQVJTOFAKIY-UHFFFAOYSA-N -1 0 322.383 -0.544 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CCNC(=O)OC(C)(C)C ZINC000491528515 238607718 /nfs/dbraw/zinc/60/77/18/238607718.db2.gz RYYPRSYIJGGIJM-UHFFFAOYSA-N -1 0 310.372 -0.006 20 0 DBADRM CCOc1ccc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])cn1 ZINC000547567699 283745039 /nfs/dbraw/zinc/74/50/39/283745039.db2.gz CLFYRBMALMFTSX-SECBINFHSA-N -1 0 304.324 -0.142 20 0 DBADRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000547549653 283742952 /nfs/dbraw/zinc/74/29/52/283742952.db2.gz CJAMIYLRHKHQOV-JTQLQIEISA-N -1 0 319.383 -0.120 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)NC1CC1)C(=O)[O-] ZINC000547548910 283743263 /nfs/dbraw/zinc/74/32/63/283743263.db2.gz VKTGZYBETZHSAI-JTQLQIEISA-N -1 0 302.356 -0.251 20 0 DBADRM CC1CCN(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])CC1 ZINC000547605298 283746541 /nfs/dbraw/zinc/74/65/41/283746541.db2.gz FXVIBDLRNKHIJZ-APBUJDDRSA-N -1 0 324.424 -0.519 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)N[C@H](CCC(=O)OC)C(=O)[O-] ZINC000547610676 283747163 /nfs/dbraw/zinc/74/71/63/283747163.db2.gz CVNJMFMZTPUIAE-SNVBAGLBSA-N -1 0 322.383 -0.041 20 0 DBADRM CCN(C)S(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000547900836 283757594 /nfs/dbraw/zinc/75/75/94/283757594.db2.gz AHAIZTUOMPZGIW-JTQLQIEISA-N -1 0 304.372 -0.551 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000547897658 283757847 /nfs/dbraw/zinc/75/78/47/283757847.db2.gz XHMZCGMAOATEDY-SNVBAGLBSA-N -1 0 303.292 -0.207 20 0 DBADRM CCCN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000547919129 283759152 /nfs/dbraw/zinc/75/91/52/283759152.db2.gz ZBRRRDKOABNXLQ-DTWKUNHWSA-N -1 0 307.372 -0.777 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000547919359 283759216 /nfs/dbraw/zinc/75/92/16/283759216.db2.gz HCAJZDJMMXOKIN-GHMZBOCLSA-N -1 0 324.399 -0.379 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000547924267 283759261 /nfs/dbraw/zinc/75/92/61/283759261.db2.gz VTXCQORDMXTIRE-KXUCPTDWSA-N -1 0 319.383 -0.634 20 0 DBADRM COCCOCCS(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000547881707 283756326 /nfs/dbraw/zinc/75/63/26/283756326.db2.gz OZAZDKYCIQALCT-ZETCQYMHSA-N -1 0 305.299 -0.323 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000547881896 283756340 /nfs/dbraw/zinc/75/63/40/283756340.db2.gz GZJDYGHAWZLNRF-JTQLQIEISA-N -1 0 320.371 -0.943 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1C ZINC000547889879 283757062 /nfs/dbraw/zinc/75/70/62/283757062.db2.gz SDWRAWJYQDFYEB-CSMHCCOUSA-N -1 0 311.381 -0.027 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])C1 ZINC000547929912 283759803 /nfs/dbraw/zinc/75/98/03/283759803.db2.gz ATAMNAVXFLKMOS-SNFQMMDSSA-N -1 0 310.397 -0.910 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000548248686 283772327 /nfs/dbraw/zinc/77/23/27/283772327.db2.gz SGTGGHBHXAHMRB-QMMMGPOBSA-N -1 0 301.324 -0.554 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(CCOC)CCOC ZINC000548242543 283772376 /nfs/dbraw/zinc/77/23/76/283772376.db2.gz FVGWYFMMNXXHBR-JTQLQIEISA-N -1 0 312.388 -0.379 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)N(C)[C@@H](C)C1CC1)C(=O)[O-] ZINC000548204490 283769377 /nfs/dbraw/zinc/76/93/77/283769377.db2.gz AXSCARZUKAHIGQ-CBAPKCEASA-N -1 0 308.356 -0.433 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)c1cnc2n1CCC2)[C@H]1CCOC1 ZINC000548201664 283769638 /nfs/dbraw/zinc/76/96/38/283769638.db2.gz WCUDQPTXFTWTMX-KWQFWETISA-N -1 0 315.351 -0.403 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548202562 283769839 /nfs/dbraw/zinc/76/98/39/283769839.db2.gz FOCVURAVRZVXSF-GHMZBOCLSA-N -1 0 319.383 -0.011 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)N(C)CC2CC2)C(=O)[O-])c1 ZINC000548209509 283770031 /nfs/dbraw/zinc/77/00/31/283770031.db2.gz RSPJUFWNGJBWNO-NSHDSACASA-N -1 0 316.383 -0.179 20 0 DBADRM CCCN(CC1CC1)S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000548209345 283770116 /nfs/dbraw/zinc/77/01/16/283770116.db2.gz GVVRLDSWMPIBKZ-VIFPVBQESA-N -1 0 307.372 -0.729 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000548210701 283770421 /nfs/dbraw/zinc/77/04/21/283770421.db2.gz YLNIKTMYKHLYMU-VXNVDRBHSA-N -1 0 319.339 -0.726 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cs1)C(=O)[O-] ZINC000548212728 283770719 /nfs/dbraw/zinc/77/07/19/283770719.db2.gz REZQUOMIPDAHOS-SSDOTTSWSA-N -1 0 323.348 -0.087 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1ccc2c(c1)ncn2C)C(=O)[O-] ZINC000548223264 283771346 /nfs/dbraw/zinc/77/13/46/283771346.db2.gz NIUPULMVBYQYCI-NSHDSACASA-N -1 0 313.335 -0.049 20 0 DBADRM COCC[C@H](C)S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000548222869 283771386 /nfs/dbraw/zinc/77/13/86/283771386.db2.gz KCFZPOZWIISFHV-VHSXEESVSA-N -1 0 322.383 -0.736 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000548237158 283771915 /nfs/dbraw/zinc/77/19/15/283771915.db2.gz FXNYEWWUYCNXFW-UHFFFAOYSA-N -1 0 317.367 -0.178 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])c1 ZINC000548357968 283776607 /nfs/dbraw/zinc/77/66/07/283776607.db2.gz NMBBNVSPKUGWIA-LBPRGKRZSA-N -1 0 317.367 -0.276 20 0 DBADRM CCn1cnc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])c1 ZINC000548356235 283776608 /nfs/dbraw/zinc/77/66/08/283776608.db2.gz VEINGZVHEVLSMJ-NSHDSACASA-N -1 0 305.356 -0.345 20 0 DBADRM CCn1cncc1S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-] ZINC000548357275 283776612 /nfs/dbraw/zinc/77/66/12/283776612.db2.gz VYHJWDFDQBQMIY-LLVKDONJSA-N -1 0 305.356 -0.345 20 0 DBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)N1CCCCC1 ZINC000548256988 283773230 /nfs/dbraw/zinc/77/32/30/283773230.db2.gz ODZLVPTUFLKNFS-YYSFKGJASA-N -1 0 310.397 -0.765 20 0 DBADRM CC(C)[C@@H](CNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000548269001 283773632 /nfs/dbraw/zinc/77/36/32/283773632.db2.gz YWASYPQXCBXIPB-SECBINFHSA-N -1 0 315.413 -0.303 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)NCCOCC(=O)[O-])c1 ZINC000548267303 283773760 /nfs/dbraw/zinc/77/37/60/283773760.db2.gz BGCSHEIFBOCHAA-UHFFFAOYSA-N -1 0 302.308 -0.835 20 0 DBADRM CCOCCN(C[C@H](C)C(=O)[O-])S(=O)(=O)N1CCOCC1 ZINC000548565766 283784806 /nfs/dbraw/zinc/78/48/06/283784806.db2.gz QJWRKSNVKWUZPM-NSHDSACASA-N -1 0 324.399 -0.377 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000548566220 283784822 /nfs/dbraw/zinc/78/48/22/283784822.db2.gz AYWBOEDWDAMJLK-KKZNHRDASA-N -1 0 322.383 -0.248 20 0 DBADRM CN1CCc2ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc21 ZINC000548564743 283784892 /nfs/dbraw/zinc/78/48/92/283784892.db2.gz KWXQZXSYGSRPHS-UHFFFAOYSA-N -1 0 314.363 -0.254 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC000548560093 283784939 /nfs/dbraw/zinc/78/49/39/283784939.db2.gz QCCKGBBVRUFWSW-BDAKNGLRSA-N -1 0 311.356 -0.717 20 0 DBADRM CC(C)CN(C)S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000548562841 283784951 /nfs/dbraw/zinc/78/49/51/283784951.db2.gz HNNGIUDMHFEGDM-UHFFFAOYSA-N -1 0 305.360 -0.715 20 0 DBADRM CCCS(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000548573006 283785095 /nfs/dbraw/zinc/78/50/95/283785095.db2.gz CWXUFSNDVWIAFK-VHSXEESVSA-N -1 0 304.368 -0.266 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)CC1CCOCC1)[C@H]1CCOC1 ZINC000548528529 283782445 /nfs/dbraw/zinc/78/24/45/283782445.db2.gz GFDVQVOOTNNTHA-WDEREUQCSA-N -1 0 307.368 -0.178 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1 ZINC000548536803 283783813 /nfs/dbraw/zinc/78/38/13/283783813.db2.gz UWWIJSBWDNBTRI-MRVPVSSYSA-N -1 0 318.355 -0.539 20 0 DBADRM CC(C)OCCS(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000548551605 283784178 /nfs/dbraw/zinc/78/41/78/283784178.db2.gz QAWWEDQMTQNCAB-LLVKDONJSA-N -1 0 319.383 -0.240 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000548763562 283792481 /nfs/dbraw/zinc/79/24/81/283792481.db2.gz SLUMFFOCDSHSBF-NSHDSACASA-N -1 0 324.399 -0.331 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)C(=O)[O-] ZINC000262696369 296095510 /nfs/dbraw/zinc/09/55/10/296095510.db2.gz BEYAJLFTSFPTEP-HLUHBDAQSA-N -1 0 308.338 -0.081 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-] ZINC000554704146 283937880 /nfs/dbraw/zinc/93/78/80/283937880.db2.gz XWLAYCCXJJDUET-MUWHJKNJSA-N -1 0 303.292 -0.472 20 0 DBADRM CCN(CC(=O)[O-])C(=O)NCCCN(C)S(=O)(=O)CC ZINC000557775685 283968603 /nfs/dbraw/zinc/96/86/03/283968603.db2.gz WBKGDXWFMKPZJB-UHFFFAOYSA-N -1 0 309.388 -0.226 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)cc1C(N)=O ZINC000558590090 283975471 /nfs/dbraw/zinc/97/54/71/283975471.db2.gz KDBUUWGDPJPILF-JMCQJSRRSA-N -1 0 313.335 -0.781 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000262348558 304136029 /nfs/dbraw/zinc/13/60/29/304136029.db2.gz VANPAJSRCCLCIS-JTQLQIEISA-N -1 0 306.274 -0.057 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)C2COC2)C1=O ZINC000561174600 283997844 /nfs/dbraw/zinc/99/78/44/283997844.db2.gz ZPDVZYRPUVYTNE-UWVGGRQHSA-N -1 0 320.367 -0.985 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccoc1 ZINC000284975540 304136769 /nfs/dbraw/zinc/13/67/69/304136769.db2.gz FNLSLYOJPOKZGC-QMMMGPOBSA-N -1 0 309.321 -0.848 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC000562235342 284006921 /nfs/dbraw/zinc/00/69/21/284006921.db2.gz ZIHHNNJUDFVEEP-VHSXEESVSA-N -1 0 320.367 -0.888 20 0 DBADRM CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000562374730 284008288 /nfs/dbraw/zinc/00/82/88/284008288.db2.gz KQTLCIYJDHGXKZ-IONNQARKSA-N -1 0 318.355 -0.934 20 0 DBADRM CCOCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000562449447 284011054 /nfs/dbraw/zinc/01/10/54/284011054.db2.gz GVKYETRBCJFBNF-PWSUYJOCSA-N -1 0 307.368 -0.224 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(=O)NCC(=O)[O-])c2ccccc2O1 ZINC000562953808 284017230 /nfs/dbraw/zinc/01/72/30/284017230.db2.gz DYAPAXWXJPDSDV-SNVBAGLBSA-N -1 0 322.273 -0.846 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Cn2cc(C(=O)[O-])nn2)CC1=O ZINC000562649230 284013674 /nfs/dbraw/zinc/01/36/74/284013674.db2.gz AEECVQPNLXAYGN-WEDXCCLWSA-N -1 0 307.310 -0.898 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2c[nH]nc2C2CC2)CCS1(=O)=O ZINC000563130280 284025434 /nfs/dbraw/zinc/02/54/34/284025434.db2.gz HSVDIWPEAMMMML-SECBINFHSA-N -1 0 313.335 -0.389 20 0 DBADRM CCCN(C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)[C@H](C)C(=O)[O-] ZINC000563210655 284029223 /nfs/dbraw/zinc/02/92/23/284029223.db2.gz GQJLHCIIHLBTSI-ZJUUUORDSA-N -1 0 321.399 -0.085 20 0 DBADRM CCCN(C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H](C)C(=O)[O-] ZINC000563210653 284029419 /nfs/dbraw/zinc/02/94/19/284029419.db2.gz GQJLHCIIHLBTSI-VHSXEESVSA-N -1 0 321.399 -0.085 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000563211651 284029441 /nfs/dbraw/zinc/02/94/41/284029441.db2.gz QNCORZUTXCGGCC-FKTZTGRPSA-N -1 0 312.322 -0.767 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccn(C)n1 ZINC000563148064 284026297 /nfs/dbraw/zinc/02/62/97/284026297.db2.gz KUDIMKSJASMIEP-MRVPVSSYSA-N -1 0 318.355 -0.980 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000563351893 284034937 /nfs/dbraw/zinc/03/49/37/284034937.db2.gz YFYSJDCXQQPPOB-WDEREUQCSA-N -1 0 312.347 -0.337 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CCO1 ZINC000563622741 284044954 /nfs/dbraw/zinc/04/49/54/284044954.db2.gz FVBOYJOQDGGAIT-JTQLQIEISA-N -1 0 321.289 -0.964 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCc2ccn(C)n2)C[C@H]1C(=O)[O-] ZINC000563811022 284049669 /nfs/dbraw/zinc/04/96/69/284049669.db2.gz QDPAPYQQBZUBBI-GXSJLCMTSA-N -1 0 308.338 -0.395 20 0 DBADRM COc1cccnc1[N-]S(=O)(=O)CCCS(N)(=O)=O ZINC000564102511 284055465 /nfs/dbraw/zinc/05/54/65/284055465.db2.gz RNLRVWQVVIMCBG-UHFFFAOYSA-N -1 0 309.369 -0.490 20 0 DBADRM CC(=O)N1CCN(c2ccccc2CN=c2nn[n-]n2C)CC1 ZINC000564558331 284062146 /nfs/dbraw/zinc/06/21/46/284062146.db2.gz IGOJQHRLAJARHO-UHFFFAOYSA-N -1 0 315.381 -0.087 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cn1 ZINC000564856407 284069271 /nfs/dbraw/zinc/06/92/71/284069271.db2.gz OTZCHCRKLASHCE-ZKCHVHJHSA-N -1 0 317.323 -0.802 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1=O ZINC000564779346 284066699 /nfs/dbraw/zinc/06/66/99/284066699.db2.gz RHQZVLKYZKBGIS-FXPVBKGRSA-N -1 0 311.338 -0.909 20 0 DBADRM O=C([O-])C[C@H]1CN(S(=O)(=O)c2cnc3n2CCC3)CCO1 ZINC000564921721 284071856 /nfs/dbraw/zinc/07/18/56/284071856.db2.gz LKWKDAKDUGZRFH-VIFPVBQESA-N -1 0 315.351 -0.307 20 0 DBADRM CC(=O)N1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000564924076 284072017 /nfs/dbraw/zinc/07/20/17/284072017.db2.gz URYIIKFDYCCXFR-NSHDSACASA-N -1 0 319.383 -0.666 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)CC2)C[C@@H]1C(=O)[O-] ZINC000564972515 284075034 /nfs/dbraw/zinc/07/50/34/284075034.db2.gz VLQSIZNQBHQNNZ-AAEUAGOBSA-N -1 0 323.393 -0.138 20 0 DBADRM Cc1c([C@H](NS(=O)(=O)[C@@H]2CCO[C@@H]2C)C(=O)[O-])cnn1C ZINC000565056552 284080005 /nfs/dbraw/zinc/08/00/05/284080005.db2.gz QVMDNICJYFEKAU-IEBDPFPHSA-N -1 0 317.367 -0.049 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000565053827 284080125 /nfs/dbraw/zinc/08/01/25/284080125.db2.gz FIRPEPLCDJCOSE-SKDRFNHKSA-N -1 0 306.384 -0.020 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)o1 ZINC000565057102 284080157 /nfs/dbraw/zinc/08/01/57/284080157.db2.gz BVWQKYGMDYPWLX-SECBINFHSA-N -1 0 316.335 -0.201 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2cc(=O)n3ccccc3n2)O1 ZINC000565041970 284079014 /nfs/dbraw/zinc/07/90/14/284079014.db2.gz JMYHPYJMEUXFPF-QWRGUYRKSA-N -1 0 317.301 -0.057 20 0 DBADRM NS(=O)(=O)c1cccnc1N1CCSC[C@@H](C(=O)[O-])C1 ZINC000565041592 284079061 /nfs/dbraw/zinc/07/90/61/284079061.db2.gz QETTWADNZMDXAH-QMMMGPOBSA-N -1 0 317.392 -0.017 20 0 DBADRM CC(C)CN(C(=O)CN1CCN(C(=O)C(=O)[O-])CC1)C1CC1 ZINC000565044401 284079640 /nfs/dbraw/zinc/07/96/40/284079640.db2.gz OZPISYDZNLNAJQ-UHFFFAOYSA-N -1 0 311.382 -0.138 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N[C@H](CO)[C@@H]1CCCOC1 ZINC000565237216 284090105 /nfs/dbraw/zinc/09/01/05/284090105.db2.gz YQCNUMAKSKXIOW-HTQZYQBOSA-N -1 0 306.306 -0.240 20 0 DBADRM COc1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1-n1cnnn1 ZINC000565659287 284101351 /nfs/dbraw/zinc/10/13/51/284101351.db2.gz SUYVBIUEBSJOFP-ZDUSSCGKSA-N -1 0 321.293 -0.764 20 0 DBADRM COc1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1-n1cnnn1 ZINC000565659280 284101352 /nfs/dbraw/zinc/10/13/52/284101352.db2.gz SUYVBIUEBSJOFP-CYBMUJFWSA-N -1 0 321.293 -0.764 20 0 DBADRM C[C@H](O)[C@H](NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-] ZINC000565764647 284103746 /nfs/dbraw/zinc/10/37/46/284103746.db2.gz RRDPTGNPTLPAMY-ONGXEEELSA-N -1 0 309.384 -0.053 20 0 DBADRM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1S(=O)(=O)N1CCCC1 ZINC000092778468 304150648 /nfs/dbraw/zinc/15/06/48/304150648.db2.gz JFDNBFZWDJKIHE-JTQLQIEISA-N -1 0 300.340 -0.438 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)C1CCSCC1 ZINC000333618006 304153946 /nfs/dbraw/zinc/15/39/46/304153946.db2.gz SZTBEGHEHSDLOQ-QMMMGPOBSA-N -1 0 312.351 -0.078 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000574986682 335014983 /nfs/dbraw/zinc/01/49/83/335014983.db2.gz VRLNGLAXCMBLQH-JTQLQIEISA-N -1 0 315.351 -0.378 20 0 DBADRM COC[C@@](C)(O)CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000394670026 374301912 /nfs/dbraw/zinc/30/19/12/374301912.db2.gz PWBMISFEISNNLI-NSHDSACASA-N -1 0 320.323 -0.024 20 0 DBADRM CO[C@H](C)c1nc(=NC2CN(S(=O)(=O)N(C)C)C2)s[n-]1 ZINC000624705892 374306704 /nfs/dbraw/zinc/30/67/04/374306704.db2.gz HDRPJKVUQKMFAA-SSDOTTSWSA-N -1 0 321.428 -0.430 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC1(CO)CC1 ZINC000134728967 374363028 /nfs/dbraw/zinc/36/30/28/374363028.db2.gz ZOZXAFZSKZMQCP-UHFFFAOYSA-N -1 0 306.365 -0.020 20 0 DBADRM CO[C@@H]1CC[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000234884694 374389843 /nfs/dbraw/zinc/38/98/43/374389843.db2.gz OMOOVLVQZWDDLG-RKDXNWHRSA-N -1 0 303.340 -0.187 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)nc1C ZINC000050265578 374423289 /nfs/dbraw/zinc/42/32/89/374423289.db2.gz XVEKUPJQMTUOLZ-SECBINFHSA-N -1 0 303.340 -0.314 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000122112000 374427726 /nfs/dbraw/zinc/42/77/26/374427726.db2.gz YZWDWPCJFWDUOP-MRVPVSSYSA-N -1 0 300.336 -0.287 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000332918989 374441632 /nfs/dbraw/zinc/44/16/32/374441632.db2.gz AUWTVSCHVYDACX-OPRDCNLKSA-N -1 0 320.367 -0.841 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1C ZINC000584057263 374474099 /nfs/dbraw/zinc/47/40/99/374474099.db2.gz XGTDNOXQAAQDDZ-CSMHCCOUSA-N -1 0 310.397 -0.359 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CO1 ZINC000616496609 374532435 /nfs/dbraw/zinc/53/24/35/374532435.db2.gz KLMYSSWFSKXFTH-SFYZADRCSA-N -1 0 300.336 -0.053 20 0 DBADRM COCCOCCN1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000616576622 374543681 /nfs/dbraw/zinc/54/36/81/374543681.db2.gz MUSVLQIXXZMUOT-UHFFFAOYSA-N -1 0 312.370 -0.454 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC000315305111 374560772 /nfs/dbraw/zinc/56/07/72/374560772.db2.gz KOHZDVNSAKZBFP-NOZJJQNGSA-N -1 0 301.343 -0.404 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@@H](C)O1 ZINC000600374124 374633704 /nfs/dbraw/zinc/63/37/04/374633704.db2.gz JHOKBQMIADHIGS-RQJHMYQMSA-N -1 0 316.339 -0.609 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000089696147 374635819 /nfs/dbraw/zinc/63/58/19/374635819.db2.gz LMSZHXMLYFATTJ-UHFFFAOYSA-N -1 0 314.327 -0.705 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000048242925 374641098 /nfs/dbraw/zinc/64/10/98/374641098.db2.gz SFTDJYPKJIVTLA-ZCFIWIBFSA-N -1 0 305.294 -0.722 20 0 DBADRM COC(=O)CCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000048164700 374620528 /nfs/dbraw/zinc/62/05/28/374620528.db2.gz CQUSMEJJAJCUTG-UHFFFAOYSA-N -1 0 306.278 -0.293 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000048269564 374647922 /nfs/dbraw/zinc/64/79/22/374647922.db2.gz NFZGDERCIJMWHV-UHFFFAOYSA-N -1 0 319.321 -0.332 20 0 DBADRM COc1cc(C)c(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1OC ZINC000090262828 374650716 /nfs/dbraw/zinc/65/07/16/374650716.db2.gz LLDHKKUPGFYSMG-QMMMGPOBSA-N -1 0 319.335 -0.264 20 0 DBADRM CN(CC(=O)NC[C@](C)(O)C(=O)[O-])C(=O)c1cccs1 ZINC000090275352 374660841 /nfs/dbraw/zinc/66/08/41/374660841.db2.gz FFBDOERLJRSITL-LBPRGKRZSA-N -1 0 300.336 -0.228 20 0 DBADRM Cn1ccc(N2CCC[C@@H](NC(=O)c3cc(=O)[nH]cn3)C2=O)n1 ZINC000625859804 374743536 /nfs/dbraw/zinc/74/35/36/374743536.db2.gz CHDZGMVALVVBCD-SECBINFHSA-N -1 0 316.321 -0.159 20 0 DBADRM Cc1cc(NC(=O)CN2CCN(Cc3n[nH]c(=O)[n-]3)CC2)no1 ZINC000092616894 374805116 /nfs/dbraw/zinc/80/51/16/374805116.db2.gz BRYCLWVAHADGNB-UHFFFAOYSA-N -1 0 321.341 -0.849 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000400118952 374811580 /nfs/dbraw/zinc/81/15/80/374811580.db2.gz KIXAPPSSXXMMBS-BBBLOLIVSA-N -1 0 318.395 -0.117 20 0 DBADRM COCCc1nc(=NCCNC(=O)c2cnccn2)s[n-]1 ZINC000426905970 374830074 /nfs/dbraw/zinc/83/00/74/374830074.db2.gz YBRUHLPNMDJKIQ-UHFFFAOYSA-N -1 0 308.367 -0.219 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000129496334 374773542 /nfs/dbraw/zinc/77/35/42/374773542.db2.gz SEEIVQKFNPRTOW-SECBINFHSA-N -1 0 309.340 -0.555 20 0 DBADRM C[C@H](C(=O)NCc1nnn[n-]1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000600497730 374785581 /nfs/dbraw/zinc/78/55/81/374785581.db2.gz QRWUSNPBKKFUKU-VGMNWLOBSA-N -1 0 306.326 -0.620 20 0 DBADRM C[C@H](C(=O)NCc1nnn[n-]1)S(=O)(=O)c1ccc(F)cc1 ZINC000600497230 374786294 /nfs/dbraw/zinc/78/62/94/374786294.db2.gz ZYRUJJBSEXFGBA-SSDOTTSWSA-N -1 0 313.314 -0.183 20 0 DBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1nnn[n-]1 ZINC000600497003 374786425 /nfs/dbraw/zinc/78/64/25/374786425.db2.gz XYKVMHCRPUCIHB-UHFFFAOYSA-N -1 0 307.314 -0.929 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000600502675 374788074 /nfs/dbraw/zinc/78/80/74/374788074.db2.gz RHYKUEGNBACWBP-SECBINFHSA-N -1 0 310.383 -0.092 20 0 DBADRM O=C(Nc1nnn[n-]1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000605532874 374884618 /nfs/dbraw/zinc/88/46/18/374884618.db2.gz XRCHKIQPJOFNCT-UHFFFAOYSA-N -1 0 314.265 -0.403 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000600657241 374837008 /nfs/dbraw/zinc/83/70/08/374837008.db2.gz GRNHSQSPGHNKKN-SKDRFNHKSA-N -1 0 323.367 -0.167 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-])C1CC1 ZINC000600660399 374837050 /nfs/dbraw/zinc/83/70/50/374837050.db2.gz UPDHHHKGZIIJIT-ZJUUUORDSA-N -1 0 323.367 -0.263 20 0 DBADRM O=C(CNC(=O)c1ccccc1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000370891292 374926775 /nfs/dbraw/zinc/92/67/75/374926775.db2.gz IYBZDSCUJMPEAN-LLVKDONJSA-N -1 0 316.321 -0.470 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1cccc2c1OCC2)C(=O)[O-] ZINC000625950141 374943332 /nfs/dbraw/zinc/94/33/32/374943332.db2.gz AJQAFACJFDDHJJ-AWEZNQCLSA-N -1 0 308.290 -0.488 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000625955239 374946682 /nfs/dbraw/zinc/94/66/82/374946682.db2.gz WZHLZQIJWBMPBQ-RKDXNWHRSA-N -1 0 322.321 -0.007 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000625953815 374946765 /nfs/dbraw/zinc/94/67/65/374946765.db2.gz QDMVECJTPBNGNI-ZKCHVHJHSA-N -1 0 323.280 -0.158 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000400289846 374906816 /nfs/dbraw/zinc/90/68/16/374906816.db2.gz LANPVHXDHIUZJC-VHSXEESVSA-N -1 0 319.383 -0.474 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cn1C ZINC000050253094 374996045 /nfs/dbraw/zinc/99/60/45/374996045.db2.gz YJQMQHVLNUTXKA-VIFPVBQESA-N -1 0 313.339 -0.574 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000408377200 374997836 /nfs/dbraw/zinc/99/78/36/374997836.db2.gz ZKQALOIHWPZKBD-WDSKDSINSA-N -1 0 302.274 -0.091 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@H]1CCCCS1(=O)=O ZINC000408484083 375017591 /nfs/dbraw/zinc/01/75/91/375017591.db2.gz YQEDOTHKCCDZGL-RKDXNWHRSA-N -1 0 311.381 -0.811 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCC(=O)NCCNC(C)=O ZINC000262770104 375031573 /nfs/dbraw/zinc/03/15/73/375031573.db2.gz LYMOIGZMBNEZLM-SNVBAGLBSA-N -1 0 315.370 -0.269 20 0 DBADRM CC(C)(CCC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000634894013 375070284 /nfs/dbraw/zinc/07/02/84/375070284.db2.gz IPKNNXWTCLYAJW-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)CC1 ZINC000634924530 375075561 /nfs/dbraw/zinc/07/55/61/375075561.db2.gz BZJCDQBLBXLFNM-UWVGGRQHSA-N -1 0 307.354 -0.180 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000634922877 375076332 /nfs/dbraw/zinc/07/63/32/375076332.db2.gz MLYWYIAMOZEVHP-ZJUUUORDSA-N -1 0 318.395 -0.163 20 0 DBADRM CC(C)[C@H](CNC(=O)CCCc1nnn[n-]1)N1CCOCC1 ZINC000635174439 375100653 /nfs/dbraw/zinc/10/06/53/375100653.db2.gz KHYPCYVSPXXJOU-LBPRGKRZSA-N -1 0 310.402 -0.005 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)CCn1nc2ccccn2c1=O ZINC000238067962 375050599 /nfs/dbraw/zinc/05/05/99/375050599.db2.gz QRWVFVUWERWLEE-SNVBAGLBSA-N -1 0 304.306 -0.038 20 0 DBADRM O=C([O-])[C@]1(CC(=O)N2CCS(=O)(=O)CC2)CCSC1 ZINC000634851089 375060566 /nfs/dbraw/zinc/06/05/66/375060566.db2.gz UTZBRZTUBIOZET-NSHDSACASA-N -1 0 307.393 -0.159 20 0 DBADRM CCNC(=O)N1CCN(C(=O)C[C@]2(C(=O)[O-])CCOC2)CC1 ZINC000634855180 375060574 /nfs/dbraw/zinc/06/05/74/375060574.db2.gz AIXVYOZAUWXKOQ-CQSZACIVSA-N -1 0 313.354 -0.259 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C[C@@]2(C(=O)[O-])CCOC2)CC1=O ZINC000634892226 375069421 /nfs/dbraw/zinc/06/94/21/375069421.db2.gz LTMBBMHIPNAPCA-OZWUEAAUSA-N -1 0 310.350 -0.007 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](CC)C(=O)[O-] ZINC000147379769 375128318 /nfs/dbraw/zinc/12/83/18/375128318.db2.gz GZNQIMQHQGXKET-IUCAKERBSA-N -1 0 308.356 -0.289 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000262733925 375128538 /nfs/dbraw/zinc/12/85/38/375128538.db2.gz CPCZAMZGLDLRBW-JTQLQIEISA-N -1 0 310.372 -0.832 20 0 DBADRM COCCOC[C@H]1CCN(C(=O)NCCOCC(=O)[O-])C1 ZINC000635522464 375140292 /nfs/dbraw/zinc/14/02/92/375140292.db2.gz CUFNJXVHGYDRTN-NSHDSACASA-N -1 0 304.343 -0.218 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)NC2(C(=O)[O-])CCC2)C1 ZINC000400142102 375121991 /nfs/dbraw/zinc/12/19/91/375121991.db2.gz XJSBUDFDMJHHOT-VIFPVBQESA-N -1 0 319.383 -0.283 20 0 DBADRM C[C@H]1C(=O)CC[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C1(C)C ZINC000408483241 375126349 /nfs/dbraw/zinc/12/63/49/375126349.db2.gz BMJVFTYOZSXDFV-YUMQZZPRSA-N -1 0 304.368 -0.441 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC1(C(=O)[O-])CC1 ZINC000166952259 375237560 /nfs/dbraw/zinc/23/75/60/375237560.db2.gz ZBGDKVBHGXVSPP-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)NCCSCC(=O)[O-])C1 ZINC000389401225 375239731 /nfs/dbraw/zinc/23/97/31/375239731.db2.gz HPTAJOVRAFLGMM-VIFPVBQESA-N -1 0 324.424 -0.408 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000216274618 375196791 /nfs/dbraw/zinc/19/67/91/375196791.db2.gz JGLORZIBDAYITR-SSDOTTSWSA-N -1 0 306.296 -0.414 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-] ZINC000581373498 375227064 /nfs/dbraw/zinc/22/70/64/375227064.db2.gz YOVWJSBYCUCGTB-IUCAKERBSA-N -1 0 322.383 -0.643 20 0 DBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)CCCc1nnn[n-]1 ZINC000635918602 375284905 /nfs/dbraw/zinc/28/49/05/375284905.db2.gz DJZOYPUDCPQKOX-VXGBXAGGSA-N -1 0 308.386 -0.156 20 0 DBADRM CN(C)S(=O)(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000149492244 375288774 /nfs/dbraw/zinc/28/87/74/375288774.db2.gz QVKFMVNJRWIARY-JTQLQIEISA-N -1 0 317.323 -0.014 20 0 DBADRM O=C(N[C@@H]1CCCC[C@@H]1O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000152049201 375323563 /nfs/dbraw/zinc/32/35/63/375323563.db2.gz ONGNKKMIJOPIKR-ZJUUUORDSA-N -1 0 304.306 -0.355 20 0 DBADRM O=C(N[C@@H]1CCCC[C@H]1O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000152049367 375324849 /nfs/dbraw/zinc/32/48/49/375324849.db2.gz ONGNKKMIJOPIKR-NXEZZACHSA-N -1 0 304.306 -0.355 20 0 DBADRM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000570797983 375390606 /nfs/dbraw/zinc/39/06/06/375390606.db2.gz MOQWKOGRWIZUQW-VIFPVBQESA-N -1 0 309.351 -0.283 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)c1cc(F)c[nH]c1=O ZINC000636315993 375394349 /nfs/dbraw/zinc/39/43/49/375394349.db2.gz KQWSQMBFSDNVIW-UHFFFAOYSA-N -1 0 310.329 -0.228 20 0 DBADRM CNC(=O)[C@H](CN=c1nn[n-]n1C)Cc1ccc(OC)c(F)c1 ZINC000570839870 375395669 /nfs/dbraw/zinc/39/56/69/375395669.db2.gz RAEHDKUIZKJOQE-JTQLQIEISA-N -1 0 322.344 -0.204 20 0 DBADRM COC[C@@](C)(O)CN=c1nn[n-]n1Cc1ccc(OC)cc1 ZINC000631116646 375337326 /nfs/dbraw/zinc/33/73/26/375337326.db2.gz RMKPEDSTWJTVFS-AWEZNQCLSA-N -1 0 307.354 -0.039 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F ZINC000572607422 375350621 /nfs/dbraw/zinc/35/06/21/375350621.db2.gz XWHFYLQHBOXBBA-RNFRBKRXSA-N -1 0 316.326 -0.262 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCc2ncccn2)C[C@H]1C(=O)[O-] ZINC000570867986 375398683 /nfs/dbraw/zinc/39/86/83/375398683.db2.gz NPFUJUGOLSENON-VHSXEESVSA-N -1 0 306.322 -0.338 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CO1 ZINC000570330323 375353110 /nfs/dbraw/zinc/35/31/10/375353110.db2.gz YFGJPAVHUQIMNJ-HLTSFMKQSA-N -1 0 306.340 -0.943 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(CC(F)(F)CO)CC2)c1[O-] ZINC000636135438 375356126 /nfs/dbraw/zinc/35/61/26/375356126.db2.gz FCTVVSFBSWBODD-UHFFFAOYSA-N -1 0 304.297 -0.191 20 0 DBADRM CCC[C@H](NC(=O)[C@H]1CCc2nnnn2CC1)c1nnn[n-]1 ZINC000572607873 375362097 /nfs/dbraw/zinc/36/20/97/375362097.db2.gz LGQYIPJSLKSEEC-IUCAKERBSA-N -1 0 305.346 -0.204 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCCS1(=O)=O)[C@@H](C)C(=O)[O-] ZINC000570527266 375368221 /nfs/dbraw/zinc/36/82/21/375368221.db2.gz KFFFOAQUYHLERF-WPRPVWTQSA-N -1 0 320.367 -0.999 20 0 DBADRM Cc1nccn1C[C@H](C)CNC(=O)C(=O)NCCCC(=O)[O-] ZINC000570928832 375399621 /nfs/dbraw/zinc/39/96/21/375399621.db2.gz RPJKCJUOVBSRNB-SNVBAGLBSA-N -1 0 310.354 -0.075 20 0 DBADRM C/C=C\C[C@@H](NC(=O)NCCNS(=O)(=O)CC)C(=O)[O-] ZINC000570890286 375400305 /nfs/dbraw/zinc/40/03/05/375400305.db2.gz CICCGBDZNZMJQJ-AZVKUDOFSA-N -1 0 307.372 -0.356 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)[O-] ZINC000570709373 375384756 /nfs/dbraw/zinc/38/47/56/375384756.db2.gz PDNBSNJPRLPOGG-MRVPVSSYSA-N -1 0 319.339 -0.587 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)c1cnn2c1OCCC2)C1CC1 ZINC000575043313 375402169 /nfs/dbraw/zinc/40/21/69/375402169.db2.gz UIQXUNBAOMZEOI-SECBINFHSA-N -1 0 301.324 -0.193 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1=O ZINC000580062008 375427282 /nfs/dbraw/zinc/42/72/82/375427282.db2.gz HBZSHKCWYIXIDS-UHFFFAOYSA-N -1 0 319.317 -0.447 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NC2(C(=O)[O-])CC2)cn1C ZINC000201931814 375437103 /nfs/dbraw/zinc/43/71/03/375437103.db2.gz YPYZLSLPBFVCFI-UHFFFAOYSA-N -1 0 301.324 -0.720 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)c1ccc(C(=O)[O-])nc1 ZINC000590431507 375539299 /nfs/dbraw/zinc/53/92/99/375539299.db2.gz GDNIAWNGMXTRKJ-UHFFFAOYSA-N -1 0 315.351 -0.163 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N(C)CC(=O)[O-] ZINC000362396588 375477968 /nfs/dbraw/zinc/47/79/68/375477968.db2.gz OQHHTFCCPZKGKE-VIFPVBQESA-N -1 0 300.336 -0.104 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)Cn2ccc(=O)[nH]c2=O)cc1 ZINC000314220678 375493823 /nfs/dbraw/zinc/49/38/23/375493823.db2.gz MDZDLLCXRQMGHW-UHFFFAOYSA-N -1 0 303.274 -0.037 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000176728945 375501935 /nfs/dbraw/zinc/50/19/35/375501935.db2.gz VTQCBTQHNJGOKW-SSDOTTSWSA-N -1 0 310.335 -0.216 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000601384625 375594816 /nfs/dbraw/zinc/59/48/16/375594816.db2.gz DKJWTSVXJBIJAH-YUMQZZPRSA-N -1 0 301.311 -0.125 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCCOCC2CC2)CCO1 ZINC000643152633 375622668 /nfs/dbraw/zinc/62/26/68/375622668.db2.gz RYPKKKWAHJIOES-LLVKDONJSA-N -1 0 314.338 -0.769 20 0 DBADRM COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC000601440409 375610826 /nfs/dbraw/zinc/61/08/26/375610826.db2.gz VWRNQYFRRWVPDB-SECBINFHSA-N -1 0 302.356 -0.865 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@H]1CCCCO1 ZINC000643163772 375649182 /nfs/dbraw/zinc/64/91/82/375649182.db2.gz KPJUHKJMVODXBR-HBNTYKKESA-N -1 0 314.338 -0.628 20 0 DBADRM CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643163822 375649474 /nfs/dbraw/zinc/64/94/74/375649474.db2.gz PKMROQSHVMKYSL-DCAQKATOSA-N -1 0 314.338 -0.628 20 0 DBADRM COC[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C(C)C ZINC000643164741 375651236 /nfs/dbraw/zinc/65/12/36/375651236.db2.gz ITHQCNKIAAJCDR-VHSXEESVSA-N -1 0 302.327 -0.914 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCS1 ZINC000643166457 375655300 /nfs/dbraw/zinc/65/53/00/375655300.db2.gz SLSBGNODZHVANF-NOZJJQNGSA-N -1 0 316.379 -0.300 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC(C2CC2)C2CC2)CCO1 ZINC000643165722 375655498 /nfs/dbraw/zinc/65/54/98/375655498.db2.gz ULPAZKBGZQODPM-GFCCVEGCSA-N -1 0 310.350 -0.149 20 0 DBADRM CC(C)CCOCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643156783 375637583 /nfs/dbraw/zinc/63/75/83/375637583.db2.gz WSFQFACIQVBGAO-NSHDSACASA-N -1 0 316.354 -0.523 20 0 DBADRM CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643159664 375639284 /nfs/dbraw/zinc/63/92/84/375639284.db2.gz YDQASEUGERZCKR-HBNTYKKESA-N -1 0 314.338 -0.770 20 0 DBADRM CC[C@H](CSC)N(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591569845 375719411 /nfs/dbraw/zinc/71/94/11/375719411.db2.gz VBGWKDNPHOZQQA-ZJUUUORDSA-N -1 0 318.395 -0.102 20 0 DBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC000616997468 375697006 /nfs/dbraw/zinc/69/70/06/375697006.db2.gz WAYQEXSDVPTSJL-SECBINFHSA-N -1 0 310.358 -0.817 20 0 DBADRM CC[C@H](CSC)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591459075 375716309 /nfs/dbraw/zinc/71/63/09/375716309.db2.gz DXSSQRYCEMAEKE-RKDXNWHRSA-N -1 0 304.368 -0.444 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H](C)C(=O)OC)C1 ZINC000591744821 375744007 /nfs/dbraw/zinc/74/40/07/375744007.db2.gz PBELCOLWKNNJAH-BXKDBHETSA-N -1 0 323.367 -0.452 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)C[C@@H](OC)C1CC1)C(=O)OC ZINC000592012214 375766398 /nfs/dbraw/zinc/76/63/98/375766398.db2.gz LATHYFQOSYYGQQ-VHSXEESVSA-N -1 0 323.367 -0.565 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)C[C@@H](OC)C(C)C)CCOC1 ZINC000592036262 375770736 /nfs/dbraw/zinc/77/07/36/375770736.db2.gz PHKAQNDQFCFCJG-PWSUYJOCSA-N -1 0 309.384 -0.091 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccn(C)n1)c1ccnn1C ZINC000592097574 375774129 /nfs/dbraw/zinc/77/41/29/375774129.db2.gz QMMKDBCIJOFIFE-JTQLQIEISA-N -1 0 313.339 -0.654 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)c1ccn(C)n1)c1ccnn1C ZINC000592097576 375774419 /nfs/dbraw/zinc/77/44/19/375774419.db2.gz QMMKDBCIJOFIFE-SNVBAGLBSA-N -1 0 313.339 -0.654 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000592372423 375797053 /nfs/dbraw/zinc/79/70/53/375797053.db2.gz WZNIHPCLSUTGKR-FXBDTBDDSA-N -1 0 300.311 -0.767 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)NCC[NH2+]C1CC1 ZINC000592366747 375799296 /nfs/dbraw/zinc/79/92/96/375799296.db2.gz CHTCCYXWURBION-UHFFFAOYSA-N -1 0 305.381 -0.040 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000592457507 375804365 /nfs/dbraw/zinc/80/43/65/375804365.db2.gz CWDSDQGGKBRLCF-ZJUUUORDSA-N -1 0 322.383 -0.231 20 0 DBADRM CCOC(=O)CCCCN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000592990087 375841442 /nfs/dbraw/zinc/84/14/42/375841442.db2.gz MMQNHFUSZIKBKH-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)CCC(F)(F)F ZINC000593269871 375854496 /nfs/dbraw/zinc/85/44/96/375854496.db2.gz CEXQLLDFJKQBRR-AHGSNSTDSA-N -1 0 323.314 -0.214 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000593290096 375855625 /nfs/dbraw/zinc/85/56/25/375855625.db2.gz CZUFKHDPGNGCRC-GUBZILKMSA-N -1 0 301.343 -0.215 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000593925206 375897455 /nfs/dbraw/zinc/89/74/55/375897455.db2.gz RDBAFUCRYAWMSO-KXUCPTDWSA-N -1 0 312.322 -0.623 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)[C@H](O)Cc2cnn(C)c2)[n-]1 ZINC000593902055 375899832 /nfs/dbraw/zinc/89/98/32/375899832.db2.gz YZWWLJJPUVGRKV-SNVBAGLBSA-N -1 0 307.310 -0.138 20 0 DBADRM C[C@@]1(O)CCN(C(=O)C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000643179796 375903829 /nfs/dbraw/zinc/90/38/29/375903829.db2.gz NWHXEIBYOJCHEP-OAHLLOKOSA-N -1 0 306.318 -0.016 20 0 DBADRM CCOC(=O)Cn1ccc(=NC(=O)N=c2nc(C)n(C)[n-]2)[nH]1 ZINC000594109094 375909313 /nfs/dbraw/zinc/90/93/13/375909313.db2.gz PMRYIFSRMWFSJG-UHFFFAOYSA-N -1 0 307.314 -0.629 20 0 DBADRM COC(=O)c1cc(C)sc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000593551857 375869196 /nfs/dbraw/zinc/86/91/96/375869196.db2.gz HIYQHMSUJYGKJK-UHFFFAOYSA-N -1 0 324.322 -0.389 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)c2ccccc2[O-])C1 ZINC000594797052 375953299 /nfs/dbraw/zinc/95/32/99/375953299.db2.gz RVNKYNKJXUBACF-ZJUUUORDSA-N -1 0 315.347 -0.063 20 0 DBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC000594779714 375955638 /nfs/dbraw/zinc/95/56/38/375955638.db2.gz RBNZAUOGFRXQMN-GUBZILKMSA-N -1 0 313.347 -0.532 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCC[C@](O)(CO)C1 ZINC000616212046 375971698 /nfs/dbraw/zinc/97/16/98/375971698.db2.gz MBBJMSZCJSLQHC-OAHLLOKOSA-N -1 0 319.317 -0.011 20 0 DBADRM COC[C@](C)(O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000531303707 375919660 /nfs/dbraw/zinc/91/96/60/375919660.db2.gz VOOYUESOWKQXFL-CQSZACIVSA-N -1 0 322.321 -0.128 20 0 DBADRM COC[C@@](C)(O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000531303701 375919910 /nfs/dbraw/zinc/91/99/10/375919910.db2.gz VOOYUESOWKQXFL-AWEZNQCLSA-N -1 0 322.321 -0.128 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000594547014 375934184 /nfs/dbraw/zinc/93/41/84/375934184.db2.gz ZITKKQRAPHHQHJ-SDBXPKJASA-N -1 0 300.311 -0.765 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCC1([S@@](C)=O)CC1)C(=O)[O-] ZINC000594530754 375935681 /nfs/dbraw/zinc/93/56/81/375935681.db2.gz SVSVMZVFLLTTQF-JLTPVHFHSA-N -1 0 318.395 -0.513 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H](C)C(=O)[O-] ZINC000594529944 375935699 /nfs/dbraw/zinc/93/56/99/375935699.db2.gz VNMHMUAVGIAJLW-CIUDSAMLSA-N -1 0 317.342 -0.537 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCc1nocc1C(=O)[O-] ZINC000594571903 375936520 /nfs/dbraw/zinc/93/65/20/375936520.db2.gz DHXKSWFGIIJXGV-UHFFFAOYSA-N -1 0 321.311 -0.798 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])c[nH]1 ZINC000594572761 375937407 /nfs/dbraw/zinc/93/74/07/375937407.db2.gz ABBBNMGAZHNVSY-SSDOTTSWSA-N -1 0 308.287 -0.108 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N(CCSC)CC(=O)[O-] ZINC000594670718 375939805 /nfs/dbraw/zinc/93/98/05/375939805.db2.gz JSVXXRVOKLPVFM-QMMMGPOBSA-N -1 0 313.397 -0.125 20 0 DBADRM COC(=O)CCCCCS(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000594691882 375941279 /nfs/dbraw/zinc/94/12/79/375941279.db2.gz YXYVSAMZNPBOOQ-GFCCVEGCSA-N -1 0 323.367 -0.117 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@@H](OC)C1CCCC1 ZINC000594768945 375946917 /nfs/dbraw/zinc/94/69/17/375946917.db2.gz YXUHWIZCHKGXEE-GHMZBOCLSA-N -1 0 309.384 -0.355 20 0 DBADRM O=C([O-])[C@@H]1COCCN1CC(=O)NC(=O)NCC(F)(F)F ZINC000595884496 376041147 /nfs/dbraw/zinc/04/11/47/376041147.db2.gz GXOQYSRDXQJNBY-LURJTMIESA-N -1 0 313.232 -0.840 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000595275735 375989113 /nfs/dbraw/zinc/98/91/13/375989113.db2.gz GZYQSUDIRPAHJP-ZPWHCFADSA-N -1 0 304.368 -0.759 20 0 DBADRM CCOC(=O)Cn1cnc(=NC(=O)N=c2[nH]n(C)cc2C)[n-]1 ZINC000596933385 376103805 /nfs/dbraw/zinc/10/38/05/376103805.db2.gz FQBGAHONLOEJGU-UHFFFAOYSA-N -1 0 307.314 -0.629 20 0 DBADRM COC(=O)C[C@H](C)N1CCN(C(=O)[C@](C)(OC)C(=O)[O-])CC1 ZINC000595994369 376064941 /nfs/dbraw/zinc/06/49/41/376064941.db2.gz HQMVFXCYEDUEHR-HZMBPMFUSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)c1oc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1C ZINC000596032754 376066201 /nfs/dbraw/zinc/06/62/01/376066201.db2.gz PZZMSZRGLKWHFB-SVRRBLITSA-N -1 0 321.307 -0.513 20 0 DBADRM COC[C@@]1(C(=O)OC)CCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC000595998774 376067012 /nfs/dbraw/zinc/06/70/12/376067012.db2.gz YDWQWIJTNLTZPC-CQSZACIVSA-N -1 0 323.305 -0.031 20 0 DBADRM CCOC(=O)[C@@H](CO)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000597458532 376136994 /nfs/dbraw/zinc/13/69/94/376136994.db2.gz QRJBPNKGFLNQON-SNVBAGLBSA-N -1 0 321.289 -0.316 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(=O)n(C)[n-]1 ZINC000597580643 376149700 /nfs/dbraw/zinc/14/97/00/376149700.db2.gz GBNMMRKBFVUTQD-SFYZADRCSA-N -1 0 312.326 -0.688 20 0 DBADRM COC(=O)[C@H](C)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597607365 376155510 /nfs/dbraw/zinc/15/55/10/376155510.db2.gz ROOCXDDKCHOLHY-ZETCQYMHSA-N -1 0 316.335 -0.327 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1cc(=O)n(C)[n-]1 ZINC000597783747 376177973 /nfs/dbraw/zinc/17/79/73/376177973.db2.gz OBPXWWQPGIIQOK-SECBINFHSA-N -1 0 310.310 -0.981 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CCF)C(=O)OC)on1 ZINC000599339584 376279372 /nfs/dbraw/zinc/27/93/72/376279372.db2.gz MRIJUSQIXNOOHD-ZCFIWIBFSA-N -1 0 324.286 -0.359 20 0 DBADRM CN(CC(=O)NCc1nnn[n-]1)S(=O)(=O)c1ccccc1 ZINC000599344711 376279698 /nfs/dbraw/zinc/27/96/98/376279698.db2.gz UODKDLXQKXTYRK-UHFFFAOYSA-N -1 0 310.339 -0.863 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000036983493 182859291 /nfs/dbraw/zinc/85/92/91/182859291.db2.gz PUNHSKHEOTXROG-IWSPIJDZSA-N -1 0 310.397 -0.200 20 0 DBADRM NC(=O)C1(C(=O)NCCCNC(=O)c2cccc(O)c2)CC1 ZINC000599324282 376281550 /nfs/dbraw/zinc/28/15/50/376281550.db2.gz QCVDOIFWOXJQSL-UHFFFAOYSA-N -1 0 305.334 -0.106 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@](C)(O)CSC)on1 ZINC000599244078 376256824 /nfs/dbraw/zinc/25/68/24/376256824.db2.gz YKAXDXNFBYCKMU-JTQLQIEISA-N -1 0 324.380 -0.147 20 0 DBADRM CCn1cnnc1C[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599212313 376258894 /nfs/dbraw/zinc/25/88/94/376258894.db2.gz CYGKOWMSYZCPQH-UHFFFAOYSA-N -1 0 315.311 -0.449 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cc(C)n[nH]2)on1 ZINC000599239042 376262876 /nfs/dbraw/zinc/26/28/76/376262876.db2.gz UGNQTPTWDFNQFG-UHFFFAOYSA-N -1 0 300.296 -0.029 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2O)on1 ZINC000599249161 376264344 /nfs/dbraw/zinc/26/43/44/376264344.db2.gz SHXMPMASYGFQGO-APPZFPTMSA-N -1 0 304.324 -0.100 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C=C[C@H](CO)C2)on1 ZINC000599248098 376264712 /nfs/dbraw/zinc/26/47/12/376264712.db2.gz HSRRYHFAMBCBAI-JGVFFNPUSA-N -1 0 302.308 -0.324 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCNC(=O)N(C)C)on1 ZINC000599271980 376268496 /nfs/dbraw/zinc/26/84/96/376268496.db2.gz FOLPHQDYGCCFIM-UHFFFAOYSA-N -1 0 320.327 -0.989 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCCOCCO)on1 ZINC000599271387 376268564 /nfs/dbraw/zinc/26/85/64/376268564.db2.gz KOPRJLFBEPHGLB-UHFFFAOYSA-N -1 0 308.312 -0.862 20 0 DBADRM COC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)OC)no1)OC ZINC000599273089 376269147 /nfs/dbraw/zinc/26/91/47/376269147.db2.gz ZPRXMIYLCSPCGG-ZETCQYMHSA-N -1 0 308.312 -0.599 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)CC(N)=O)on1 ZINC000599277576 376270792 /nfs/dbraw/zinc/27/07/92/376270792.db2.gz NXMAAKUPQNENTC-UHFFFAOYSA-N -1 0 305.312 -0.607 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@]2(OC)CCOC2)on1 ZINC000599280823 376270897 /nfs/dbraw/zinc/27/08/97/376270897.db2.gz UJSPDHLDJKQCJG-LLVKDONJSA-N -1 0 320.323 -0.455 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCCn2ccnn2)on1 ZINC000599275434 376270913 /nfs/dbraw/zinc/27/09/13/376270913.db2.gz QLYTUJXZVPSXFZ-UHFFFAOYSA-N -1 0 315.311 -0.579 20 0 DBADRM COCC[C@@H](COC)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599308767 376274785 /nfs/dbraw/zinc/27/47/85/376274785.db2.gz AOSAUMBLWBEJOV-QMMMGPOBSA-N -1 0 322.339 -0.209 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](O)C2)on1 ZINC000599289078 376276191 /nfs/dbraw/zinc/27/61/91/376276191.db2.gz QTBKFHJFGSIRLN-YUMQZZPRSA-N -1 0 304.324 -0.100 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C(=O)N(C)C)on1 ZINC000599289653 376276931 /nfs/dbraw/zinc/27/69/31/376276931.db2.gz HRCCNSSNMZWXST-LURJTMIESA-N -1 0 305.312 -0.784 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@](C)(CO)OC)on1 ZINC000599336918 376277924 /nfs/dbraw/zinc/27/79/24/376277924.db2.gz PETAXJYCCAISNT-JTQLQIEISA-N -1 0 308.312 -0.863 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000599334198 376282979 /nfs/dbraw/zinc/28/29/79/376282979.db2.gz HJGITANNJNDWDS-NSHDSACASA-N -1 0 300.322 -0.135 20 0 DBADRM CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)OC)no1)C(=O)OC ZINC000599342220 376278604 /nfs/dbraw/zinc/27/86/04/376278604.db2.gz XRIVTBKKSMIPNT-SSDOTTSWSA-N -1 0 320.323 -0.061 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000599786542 376338219 /nfs/dbraw/zinc/33/82/19/376338219.db2.gz BUUNCCGSIRUPMT-RNFRBKRXSA-N -1 0 318.355 -0.287 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000599938338 376348082 /nfs/dbraw/zinc/34/80/82/376348082.db2.gz NRVBYSHIGAAHQS-ZJUUUORDSA-N -1 0 314.338 -0.375 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1C[C@H](C(N)=O)C1 ZINC000599416090 376289657 /nfs/dbraw/zinc/28/96/57/376289657.db2.gz BWQYSXYJIGNSGK-IZLXSQMJSA-N -1 0 319.364 -0.528 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2)C1 ZINC000062117831 376406532 /nfs/dbraw/zinc/40/65/32/376406532.db2.gz SKEFKBHVONZBIU-JTQLQIEISA-N -1 0 312.347 -0.102 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000062084557 376406741 /nfs/dbraw/zinc/40/67/41/376406741.db2.gz JZAQOOBMEGAIMQ-JTQLQIEISA-N -1 0 319.383 -0.520 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)CCCC(F)(F)F)C(=O)[O-] ZINC000214939157 376505841 /nfs/dbraw/zinc/50/58/41/376505841.db2.gz NSYZNZRQLYTSLX-RXMQYKEDSA-N -1 0 306.262 -0.423 20 0 DBADRM COC[C@@](C)([N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2)C(=O)OC ZINC000603297249 376542294 /nfs/dbraw/zinc/54/22/94/376542294.db2.gz YTPZWHNFIMRLCJ-MIZYBKAJSA-N -1 0 307.368 -0.196 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F ZINC000603299725 376542652 /nfs/dbraw/zinc/54/26/52/376542652.db2.gz KNZFOFNEZWXICQ-RNFRBKRXSA-N -1 0 301.311 -0.269 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@]1(C)CC1(F)F ZINC000603300759 376542871 /nfs/dbraw/zinc/54/28/71/376542871.db2.gz SBURBNKJXBOTAT-APPZFPTMSA-N -1 0 301.311 -0.125 20 0 DBADRM C[C@@H](C(=O)N[C@H](c1nnn[n-]1)c1ccccc1)S(C)(=O)=O ZINC000604082174 376598212 /nfs/dbraw/zinc/59/82/12/376598212.db2.gz UCJWLUOUHBWQRI-WPRPVWTQSA-N -1 0 309.351 -0.162 20 0 DBADRM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1 ZINC000603629179 376568783 /nfs/dbraw/zinc/56/87/83/376568783.db2.gz PUSUEJMGXLVAIL-UHFFFAOYSA-N -1 0 303.325 -0.747 20 0 DBADRM COC[C@H](O)CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000071273483 376610396 /nfs/dbraw/zinc/61/03/96/376610396.db2.gz OHTHXDSMLCDFBF-SSDOTTSWSA-N -1 0 304.324 -0.549 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1nnnn1-c1ccccc1 ZINC000604606734 376643616 /nfs/dbraw/zinc/64/36/16/376643616.db2.gz DJRQDGBKIUTYPR-SSDOTTSWSA-N -1 0 300.282 -0.023 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1C#N ZINC000314752022 376648889 /nfs/dbraw/zinc/64/88/89/376648889.db2.gz RAWVTHWDNPVDDB-LLVKDONJSA-N -1 0 311.319 -0.264 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccccc1-n1cccn1 ZINC000606117456 376726654 /nfs/dbraw/zinc/72/66/54/376726654.db2.gz OQSYUWSBPIJXSJ-UHFFFAOYSA-N -1 0 312.293 -0.360 20 0 DBADRM CCOc1cc(F)ccc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000606117450 376727220 /nfs/dbraw/zinc/72/72/20/376727220.db2.gz OICQXKWXFOLINA-UHFFFAOYSA-N -1 0 308.273 -0.008 20 0 DBADRM Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000606115789 376727375 /nfs/dbraw/zinc/72/73/75/376727375.db2.gz QNPPYJODYYVAAX-UHFFFAOYSA-N -1 0 320.357 -0.223 20 0 DBADRM CCc1cccc2c1N(C(=O)C(=O)NCc1nnn[n-]1)CC2 ZINC000606114862 376727645 /nfs/dbraw/zinc/72/76/45/376727645.db2.gz DUYIEGRIGHNXNG-UHFFFAOYSA-N -1 0 300.322 -0.032 20 0 DBADRM CC(C)Oc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cn1 ZINC000606116870 376727839 /nfs/dbraw/zinc/72/78/39/376727839.db2.gz QWOLDASKEIWZKP-UHFFFAOYSA-N -1 0 305.298 -0.363 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1nc2nc(C)cc(C)n2n1 ZINC000261977260 376764766 /nfs/dbraw/zinc/76/47/66/376764766.db2.gz QWPNZDMNMJJPPI-UHFFFAOYSA-N -1 0 307.310 -0.086 20 0 DBADRM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCOC)cc1 ZINC000606342226 376739134 /nfs/dbraw/zinc/73/91/34/376739134.db2.gz WCSHFWRUZMDBQW-UHFFFAOYSA-N -1 0 308.381 -0.017 20 0 DBADRM CS(=O)(=O)c1nc(C(=O)NCCC(=O)[O-])c2ccccn21 ZINC000262197802 376785247 /nfs/dbraw/zinc/78/52/47/376785247.db2.gz HPZZFJFUPZOKLY-UHFFFAOYSA-N -1 0 311.319 -0.058 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N1CCC[C@H]1C(=O)[O-])n1cccn1 ZINC000262108734 376768318 /nfs/dbraw/zinc/76/83/18/376768318.db2.gz KEFTWZGFIQZOBC-MNOVXSKESA-N -1 0 308.338 -0.022 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CNC(=O)NC1CCCCC1 ZINC000262427308 304199466 /nfs/dbraw/zinc/19/94/66/304199466.db2.gz DLIJKJBENOJFMZ-LLVKDONJSA-N -1 0 313.354 -0.070 20 0 DBADRM C[C@@H]1CN(C(=O)CCN2CCCS2(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC000262262058 376793813 /nfs/dbraw/zinc/79/38/13/376793813.db2.gz UTPWTIWGIBKHPG-ZJUUUORDSA-N -1 0 320.367 -0.888 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC000062085710 376803417 /nfs/dbraw/zinc/80/34/17/376803417.db2.gz QLLFRSSUXMMPNS-UHFFFAOYSA-N -1 0 313.335 -0.503 20 0 DBADRM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cnc([O-])n(C)c1=O ZINC000276212264 291653578 /nfs/dbraw/zinc/65/35/78/291653578.db2.gz HTOYXXUNYZQTLE-QXEWZRGKSA-N -1 0 321.333 -0.100 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000262341558 376811950 /nfs/dbraw/zinc/81/19/50/376811950.db2.gz UIBPOQLWVCUZBE-YUMQZZPRSA-N -1 0 324.255 -0.291 20 0 DBADRM CN(CC(=O)[O-])C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000262349886 376812519 /nfs/dbraw/zinc/81/25/19/376812519.db2.gz FSZRZLPNBSNJAM-UHFFFAOYSA-N -1 0 300.336 -0.150 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N(CCC(=O)[O-])CC(C)C ZINC000262409034 376899004 /nfs/dbraw/zinc/89/90/04/376899004.db2.gz NTMIOPBYXPHSLJ-UHFFFAOYSA-N -1 0 301.343 -0.802 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000262380190 376846154 /nfs/dbraw/zinc/84/61/54/376846154.db2.gz IHCNVTKLHMSMTN-ZJUUUORDSA-N -1 0 304.368 -0.457 20 0 DBADRM COCCn1cc(CNC(=O)c2cnc([O-])n(C)c2=O)cn1 ZINC000337541853 376848204 /nfs/dbraw/zinc/84/82/04/376848204.db2.gz JWDSSVZLAQYNEE-UHFFFAOYSA-N -1 0 307.310 -0.741 20 0 DBADRM C[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)NCCF ZINC000337559633 376849745 /nfs/dbraw/zinc/84/97/45/376849745.db2.gz ZPSZXQOODOEQIX-LURJTMIESA-N -1 0 323.284 -0.360 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C1=O ZINC000230952861 376881050 /nfs/dbraw/zinc/88/10/50/376881050.db2.gz IVBVPKBQQGPZAF-ZETCQYMHSA-N -1 0 304.349 -0.045 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000262430149 376923484 /nfs/dbraw/zinc/92/34/84/376923484.db2.gz DSVHOMICSSRWHI-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CC(=O)[O-] ZINC000262439783 376930035 /nfs/dbraw/zinc/93/00/35/376930035.db2.gz NTGCABCEOMHABK-SSDOTTSWSA-N -1 0 306.365 -0.042 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000262527847 377013124 /nfs/dbraw/zinc/01/31/24/377013124.db2.gz RYWWSNAQQNWGHI-GFCCVEGCSA-N -1 0 324.308 -0.204 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC2(C(N)=O)CC2)c(C)o1 ZINC000339045705 377016198 /nfs/dbraw/zinc/01/61/98/377016198.db2.gz YWHPXKOKNUJRSY-UHFFFAOYSA-N -1 0 302.308 -0.329 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@]1(C(N)=O)CCOC1 ZINC000567402110 377120983 /nfs/dbraw/zinc/12/09/83/377120983.db2.gz IKWRZVONTGUEJD-NSHDSACASA-N -1 0 318.307 -0.791 20 0 DBADRM O=C(CN1CC(=O)NC1=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000339726331 377068664 /nfs/dbraw/zinc/06/86/64/377068664.db2.gz UJCXDXXTXODEJL-UHFFFAOYSA-N -1 0 318.318 -0.488 20 0 DBADRM CN(CC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1)S(C)(=O)=O ZINC000531745129 377081369 /nfs/dbraw/zinc/08/13/69/377081369.db2.gz LZLMWSQHWUZXPZ-JTQLQIEISA-N -1 0 322.383 -0.640 20 0 DBADRM CN(CC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1)S(C)(=O)=O ZINC000531745130 377082065 /nfs/dbraw/zinc/08/20/65/377082065.db2.gz LZLMWSQHWUZXPZ-SNVBAGLBSA-N -1 0 322.383 -0.640 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000262880599 377102136 /nfs/dbraw/zinc/10/21/36/377102136.db2.gz LMLQJIBMHHMHEB-SECBINFHSA-N -1 0 315.351 -0.319 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c1C ZINC000262957670 377106442 /nfs/dbraw/zinc/10/64/42/377106442.db2.gz NNSFUXMYCHTJQP-XCBNKYQSSA-N -1 0 309.322 -0.289 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000262934180 377106464 /nfs/dbraw/zinc/10/64/64/377106464.db2.gz YEIBTBBSAUHCNJ-JGVFFNPUSA-N -1 0 318.355 -0.982 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@H]2CCc3n[nH]cc3C2)n[nH]1 ZINC000339844982 377130897 /nfs/dbraw/zinc/13/08/97/377130897.db2.gz UAGUOMNGAGZDHG-ZETCQYMHSA-N -1 0 304.310 -0.013 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC[C@H](C)O ZINC000339938896 377158431 /nfs/dbraw/zinc/15/84/31/377158431.db2.gz KARIFHSXSUDFKH-CBAPKCEASA-N -1 0 319.383 -0.155 20 0 DBADRM CC1(C(N)=O)CN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC000571214244 377160362 /nfs/dbraw/zinc/16/03/62/377160362.db2.gz XKKMAHJKCGUZAX-UHFFFAOYSA-N -1 0 302.290 -0.023 20 0 DBADRM O=C(C[C@H]1NC(=O)NC1=O)NCCCNC(=O)c1cccs1 ZINC000339980608 377173086 /nfs/dbraw/zinc/17/30/86/377173086.db2.gz ICQUPDVGHIGLRD-MRVPVSSYSA-N -1 0 324.362 -0.418 20 0 DBADRM O=C(COc1ccccc1)NCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000263253524 377187280 /nfs/dbraw/zinc/18/72/80/377187280.db2.gz KFOCDOOQVCRKFD-LBPRGKRZSA-N -1 0 322.317 -0.506 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c(Cl)cnn1C ZINC000571381531 377215767 /nfs/dbraw/zinc/21/57/67/377215767.db2.gz NFVYEXBGOIWANS-ZETCQYMHSA-N -1 0 311.747 -0.206 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000571400592 377218585 /nfs/dbraw/zinc/21/85/85/377218585.db2.gz RGNKNVBRQCIZPO-SSDOTTSWSA-N -1 0 324.380 -0.186 20 0 DBADRM C/C=C\C[C@H](NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-] ZINC000571400261 377218846 /nfs/dbraw/zinc/21/88/46/377218846.db2.gz IXILBXQYDVXSEJ-WYGGZMRJSA-N -1 0 324.399 -0.165 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000571403617 377219256 /nfs/dbraw/zinc/21/92/56/377219256.db2.gz MKHIWZWXFQOKGJ-UHFFFAOYSA-N -1 0 321.333 -0.153 20 0 DBADRM NC(=O)c1nccnc1C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262165588 377267539 /nfs/dbraw/zinc/26/75/39/377267539.db2.gz BSDUMPAXGWBOJQ-RMLUDKJBSA-N -1 0 304.306 -0.098 20 0 DBADRM CN(CC(=O)NCCc1cccc(C(=O)[O-])c1)S(C)(=O)=O ZINC000262158600 377268318 /nfs/dbraw/zinc/26/83/18/377268318.db2.gz ORXLKQINBORACI-UHFFFAOYSA-N -1 0 314.363 -0.065 20 0 DBADRM CC(=O)NCCN(C(=O)Cn1ccccc1=O)[C@H](C)C(=O)[O-] ZINC000262287428 377269303 /nfs/dbraw/zinc/26/93/03/377269303.db2.gz XWHGWCYELJEFSZ-SNVBAGLBSA-N -1 0 309.322 -0.714 20 0 DBADRM C[C@@H](O)CN(C(=O)C(=O)Nc1cccc(C(=O)[O-])c1)[C@@H](C)CO ZINC000571522537 377251293 /nfs/dbraw/zinc/25/12/93/377251293.db2.gz CEMBYKLOPUOQKC-VHSXEESVSA-N -1 0 324.333 -0.087 20 0 DBADRM Cc1noc(CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1 ZINC000038034340 182974500 /nfs/dbraw/zinc/97/45/00/182974500.db2.gz NDVNMJJVOFGZBN-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000428576579 296255972 /nfs/dbraw/zinc/25/59/72/296255972.db2.gz WIYJWOOJQZWMPC-SSDOTTSWSA-N -1 0 317.305 -0.261 20 0 DBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC(=O)[O-])c1 ZINC000261911605 377261658 /nfs/dbraw/zinc/26/16/58/377261658.db2.gz WNRXIBXRBKKJQQ-UHFFFAOYSA-N -1 0 322.364 -0.700 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000261919105 377261878 /nfs/dbraw/zinc/26/18/78/377261878.db2.gz XLQCEDCEPGVBDM-UHFFFAOYSA-N -1 0 307.349 -0.205 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000261872577 377262048 /nfs/dbraw/zinc/26/20/48/377262048.db2.gz PBXCNYQAXNANHE-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)CC(=O)[O-] ZINC000262099596 377264914 /nfs/dbraw/zinc/26/49/14/377264914.db2.gz IVANWTUWQOKUDP-UHFFFAOYSA-N -1 0 304.324 -0.005 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)Nc2cccn(C)c2=O)C[C@H]1C(=O)[O-] ZINC000571642007 377333061 /nfs/dbraw/zinc/33/30/61/377333061.db2.gz DZALQLBWABQPDN-VHSXEESVSA-N -1 0 321.333 -0.107 20 0 DBADRM COCC[C@@H](NC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)[O-] ZINC000262301528 377270593 /nfs/dbraw/zinc/27/05/93/377270593.db2.gz NTMBCQRUNACFGT-SNVBAGLBSA-N -1 0 321.333 -0.054 20 0 DBADRM Cc1nccc(CNS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000038037634 182976508 /nfs/dbraw/zinc/97/65/08/182976508.db2.gz OTWQNVKPRZSIJF-JTQLQIEISA-N -1 0 314.367 -0.084 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000262480538 377277190 /nfs/dbraw/zinc/27/71/90/377277190.db2.gz ZNKRTIAAVMGILK-UHFFFAOYSA-N -1 0 307.306 -0.289 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000262721486 377278670 /nfs/dbraw/zinc/27/86/70/377278670.db2.gz AIVROKPLVDUPMI-GFCCVEGCSA-N -1 0 315.347 -0.010 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000262672743 377279578 /nfs/dbraw/zinc/27/95/78/377279578.db2.gz XNLMCPBMNHEGBB-UWVGGRQHSA-N -1 0 308.338 -0.392 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cn1 ZINC000262971772 377281910 /nfs/dbraw/zinc/28/19/10/377281910.db2.gz PUBOLPYVVYICIG-KCJUWKMLSA-N -1 0 307.306 -0.245 20 0 DBADRM Cn1cnn(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1=O ZINC000263394088 377283055 /nfs/dbraw/zinc/28/30/55/377283055.db2.gz FBXURVBUDZACAM-MXWKQRLJSA-N -1 0 308.338 -0.174 20 0 DBADRM CCCC(=O)N1CSC[C@H]1C(=O)NC[C@H](OC)C(=O)[O-] ZINC000263136449 377284026 /nfs/dbraw/zinc/28/40/26/377284026.db2.gz UIWGTTKAHZKFGH-IUCAKERBSA-N -1 0 304.368 -0.096 20 0 DBADRM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NN2CC(=O)NC2=O)C1 ZINC000263640739 377286792 /nfs/dbraw/zinc/28/67/92/377286792.db2.gz ARKZOCRNIXWDTP-VHSXEESVSA-N -1 0 310.354 -0.146 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000263874974 377297461 /nfs/dbraw/zinc/29/74/61/377297461.db2.gz JSHPQDTWVASYPR-RFZPGFLSSA-N -1 0 320.352 -0.343 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000270526695 377452446 /nfs/dbraw/zinc/45/24/46/377452446.db2.gz SVKYULQQJZEDHA-SNVBAGLBSA-N -1 0 311.323 -0.196 20 0 DBADRM C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000270512287 377451763 /nfs/dbraw/zinc/45/17/63/377451763.db2.gz PNJWCYOTBMUCCU-QMMMGPOBSA-N -1 0 311.323 -0.196 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000270539951 377454109 /nfs/dbraw/zinc/45/41/09/377454109.db2.gz XEMIZEIEESARAV-UHFFFAOYSA-N -1 0 311.747 -0.205 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000271684650 377505245 /nfs/dbraw/zinc/50/52/45/377505245.db2.gz DBXHLPVREPJRDB-JTQLQIEISA-N -1 0 309.290 -0.082 20 0 DBADRM C[C@H](CC(=O)[O-])NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000270538741 377454795 /nfs/dbraw/zinc/45/47/95/377454795.db2.gz WVLNXAWGJHXUEE-RKDXNWHRSA-N -1 0 303.340 -0.014 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000270547276 377455678 /nfs/dbraw/zinc/45/56/78/377455678.db2.gz ZEWPTTJDUNOSJL-UHFFFAOYSA-N -1 0 316.335 -0.493 20 0 DBADRM CN(C[C@H](O)CO)C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000271251619 377489755 /nfs/dbraw/zinc/48/97/55/377489755.db2.gz HMPCSHLZBBOZFH-VIFPVBQESA-N -1 0 320.342 -0.378 20 0 DBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cn(C)c(C)n1 ZINC000274948127 377529920 /nfs/dbraw/zinc/52/99/20/377529920.db2.gz ABSJWZYZDBCNJL-MRVPVSSYSA-N -1 0 305.356 -0.161 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-] ZINC000275533084 377533109 /nfs/dbraw/zinc/53/31/09/377533109.db2.gz BZTUJOLGBYCXGU-LBPRGKRZSA-N -1 0 319.383 -0.211 20 0 DBADRM CCOc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cn1 ZINC000275399238 377533158 /nfs/dbraw/zinc/53/31/58/377533158.db2.gz YVTNPFRQMMIJSE-PSASIEDQSA-N -1 0 316.335 -0.311 20 0 DBADRM COCCS(=O)(=O)[N-]c1cc(OC)ccc1S(N)(=O)=O ZINC000276146860 377552655 /nfs/dbraw/zinc/55/26/55/377552655.db2.gz DEQJNNLMFRLEKQ-UHFFFAOYSA-N -1 0 324.380 -0.269 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)O1 ZINC000276115834 377549194 /nfs/dbraw/zinc/54/91/94/377549194.db2.gz KWQRVXSWCLBCPR-RNJXMRFFSA-N -1 0 324.255 -0.102 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000276964319 377581541 /nfs/dbraw/zinc/58/15/41/377581541.db2.gz DRYKTFCKBVCRCE-UHFFFAOYSA-N -1 0 321.259 -0.236 20 0 DBADRM COCCNC(=O)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000277006320 377581907 /nfs/dbraw/zinc/58/19/07/377581907.db2.gz BFNXXCRZIRJFTN-UHFFFAOYSA-N -1 0 313.276 -0.678 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1COc2ccccc21 ZINC000277327883 377592280 /nfs/dbraw/zinc/59/22/80/377592280.db2.gz CGKCBLNJWKEZBM-JTQLQIEISA-N -1 0 312.347 -0.255 20 0 DBADRM COC(=O)[C@@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000277142239 377587057 /nfs/dbraw/zinc/58/70/57/377587057.db2.gz VWVWDQNQKUQDAI-RXMQYKEDSA-N -1 0 300.233 -0.906 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CC1(Cl)Cl ZINC000277636867 377604189 /nfs/dbraw/zinc/60/41/89/377604189.db2.gz NIQBCJOWHJENHT-RXMQYKEDSA-N -1 0 303.167 -0.238 20 0 DBADRM CO[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1ccccc1 ZINC000277654206 377604468 /nfs/dbraw/zinc/60/44/68/377604468.db2.gz ONTPDSRQEPRDKW-GFCCVEGCSA-N -1 0 314.363 -0.044 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)Cc1ccccc1F ZINC000278157626 377616511 /nfs/dbraw/zinc/61/65/11/377616511.db2.gz BURSPHHWOLITJZ-UHFFFAOYSA-N -1 0 318.326 -0.164 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc(OCC(N)=O)cc2)c1[O-] ZINC000277882889 377611204 /nfs/dbraw/zinc/61/12/04/377611204.db2.gz AKZHWHLFJLSBDB-LLVKDONJSA-N -1 0 321.289 -0.461 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000277965911 377611369 /nfs/dbraw/zinc/61/13/69/377611369.db2.gz USLPUIMGSSUENF-UHFFFAOYSA-N -1 0 315.351 -0.009 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1CC(=O)N1CCCCC1 ZINC000333606559 304208577 /nfs/dbraw/zinc/20/85/77/304208577.db2.gz RGQOCHUDEYVVJC-SECBINFHSA-N -1 0 309.326 -0.735 20 0 DBADRM C[C@@H]1OCC[C@]12CN(C(=O)c1cnc([O-])n(C)c1=O)C[C@@H](C)O2 ZINC000279401700 377653541 /nfs/dbraw/zinc/65/35/41/377653541.db2.gz RUTPOSHYCUXJCD-FTGAXOIBSA-N -1 0 323.349 -0.106 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCC(=O)NC1=O ZINC000279507767 377657600 /nfs/dbraw/zinc/65/76/00/377657600.db2.gz QHEQYCBKNJWWQG-XPUUQOCRSA-N -1 0 323.271 -0.389 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000279507764 377658212 /nfs/dbraw/zinc/65/82/12/377658212.db2.gz QHEQYCBKNJWWQG-SVRRBLITSA-N -1 0 323.271 -0.389 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000280811141 377701511 /nfs/dbraw/zinc/70/15/11/377701511.db2.gz UIGSRIPPWMRYPT-BDAKNGLRSA-N -1 0 309.322 -0.053 20 0 DBADRM C[C@]12CCC(=O)N1[C@H](C(=O)NCCc1nc(=O)o[n-]1)CS2 ZINC000280000000 377673264 /nfs/dbraw/zinc/67/32/64/377673264.db2.gz BNPPXQSBQXVZMS-MADCSZMMSA-N -1 0 312.351 -0.524 20 0 DBADRM Cc1cc2c(cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)OCO2 ZINC000279978396 377674592 /nfs/dbraw/zinc/67/45/92/377674592.db2.gz KLTQZOHLSMRCEX-CPCISQLKSA-N -1 0 317.319 -0.164 20 0 DBADRM CCOC(=O)N1CCC[C@H](C(=O)NCCc2nc(=O)o[n-]2)C1 ZINC000280118500 377679095 /nfs/dbraw/zinc/67/90/95/377679095.db2.gz OASDSAPXJSMXCH-VIFPVBQESA-N -1 0 312.326 -0.110 20 0 DBADRM O=C(CN1CCc2ccccc2C1=O)NCCc1nc(=O)o[n-]1 ZINC000280254880 377683870 /nfs/dbraw/zinc/68/38/70/377683870.db2.gz ZRZWTHIVMRWKOV-UHFFFAOYSA-N -1 0 316.317 -0.280 20 0 DBADRM COC[C@@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000280311915 377687578 /nfs/dbraw/zinc/68/75/78/377687578.db2.gz SYDCTQXRIRZVFF-SSDOTTSWSA-N -1 0 308.294 -0.518 20 0 DBADRM CCS(=O)(=O)NCCCNS(=O)(=O)c1ccccn1 ZINC000340083756 377727750 /nfs/dbraw/zinc/72/77/50/377727750.db2.gz ULPBGQDSUWJEGS-UHFFFAOYSA-N -1 0 307.397 -0.311 20 0 DBADRM Cn1cnn(CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1=O ZINC000263565838 377736457 /nfs/dbraw/zinc/73/64/57/377736457.db2.gz FTIZXGIOLDQJOD-LLVKDONJSA-N -1 0 304.306 -0.606 20 0 DBADRM COCCN1CN(CC(=O)[N-]OCc2ccccc2)CC1=O ZINC000282396231 377777215 /nfs/dbraw/zinc/77/72/15/377777215.db2.gz DYKBJHBONYZYRW-UHFFFAOYSA-N -1 0 307.350 -0.018 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC000281852047 377752059 /nfs/dbraw/zinc/75/20/59/377752059.db2.gz NAZGOHUEGZMVKJ-YFKPBYRVSA-N -1 0 324.259 -0.810 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CC(=O)c2ccccc21 ZINC000281960331 377758463 /nfs/dbraw/zinc/75/84/63/377758463.db2.gz DOKJNZAHJDNVDN-NSHDSACASA-N -1 0 324.358 -0.061 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@]1(O)CCSC1 ZINC000282021121 377760574 /nfs/dbraw/zinc/76/05/74/377760574.db2.gz XIAYRSUMBTVUOU-LBPRGKRZSA-N -1 0 307.335 -0.238 20 0 DBADRM Cc1ccc(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1O ZINC000282075061 377762317 /nfs/dbraw/zinc/76/23/17/377762317.db2.gz NHZGNSZRVHSWGB-UHFFFAOYSA-N -1 0 314.363 -0.175 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(O)cc1O ZINC000282274295 377772544 /nfs/dbraw/zinc/77/25/44/377772544.db2.gz QANGVIGSZKHCBB-UHFFFAOYSA-N -1 0 302.308 -0.707 20 0 DBADRM C[C@H]1C(=O)N(C)S(=O)(=O)N1Cc1nnnn1-c1ccccc1 ZINC000283133663 377811717 /nfs/dbraw/zinc/81/17/17/377811717.db2.gz UCVRSGYELYRQMR-VIFPVBQESA-N -1 0 322.350 -0.430 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC000367470320 377897661 /nfs/dbraw/zinc/89/76/61/377897661.db2.gz SFRVXRSBQBRVCR-YUMQZZPRSA-N -1 0 309.340 -0.965 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000290930594 377918528 /nfs/dbraw/zinc/91/85/28/377918528.db2.gz JAKPNZUOKORLKP-SNVBAGLBSA-N -1 0 316.335 -0.447 20 0 DBADRM CO[C@H]1COC[C@@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000290995372 377918756 /nfs/dbraw/zinc/91/87/56/377918756.db2.gz AHTDCFIOASHQOY-IUCAKERBSA-N -1 0 306.278 -0.420 20 0 DBADRM O=C(Nc1nnn[n-]1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000292612983 377955328 /nfs/dbraw/zinc/95/53/28/377955328.db2.gz NBQBKHFMGYYHMH-UHFFFAOYSA-N -1 0 301.310 -0.513 20 0 DBADRM COC(=O)COCC(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C ZINC000291680293 377931024 /nfs/dbraw/zinc/93/10/24/377931024.db2.gz ZHVNOXDSBALCDB-UHFFFAOYSA-N -1 0 323.305 -0.289 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cnn(C)c2C)C1=O ZINC000292151855 377944397 /nfs/dbraw/zinc/94/43/97/377944397.db2.gz BWHWWRRBDVWHQF-LLVKDONJSA-N -1 0 315.355 -0.358 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@@H]1COC ZINC000292451347 377950991 /nfs/dbraw/zinc/95/09/91/377950991.db2.gz AOMQUYCHXLSTEL-MRVPVSSYSA-N -1 0 303.340 -0.004 20 0 DBADRM COC(=O)Cc1cccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000290508679 377906748 /nfs/dbraw/zinc/90/67/48/377906748.db2.gz IGXHLLNUBDINRZ-JTQLQIEISA-N -1 0 317.319 -0.874 20 0 DBADRM CCOC[C@H](NS(=O)(=O)c1cnn(CCOC)c1)C(=O)[O-] ZINC000290663123 377910804 /nfs/dbraw/zinc/91/08/04/377910804.db2.gz ODHLHUOJQVHRPF-JTQLQIEISA-N -1 0 321.355 -0.703 20 0 DBADRM COC(=O)Cc1cccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000290733291 377912346 /nfs/dbraw/zinc/91/23/46/377912346.db2.gz WIZUKIJQJUCMQV-JTQLQIEISA-N -1 0 317.319 -0.874 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)Cn1nc2ccccn2c1=O ZINC000295501826 378010054 /nfs/dbraw/zinc/01/00/54/378010054.db2.gz GPHVJAWLHIGZCO-UHFFFAOYSA-N -1 0 322.321 -0.115 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C(=O)[O-] ZINC000340452868 377984276 /nfs/dbraw/zinc/98/42/76/377984276.db2.gz VKWSYUXAJIRNGN-YFKPBYRVSA-N -1 0 313.291 -0.208 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C(=O)[O-] ZINC000340452865 377984621 /nfs/dbraw/zinc/98/46/21/377984621.db2.gz VKWSYUXAJIRNGN-RXMQYKEDSA-N -1 0 313.291 -0.208 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cn1C ZINC000340452666 377985178 /nfs/dbraw/zinc/98/51/78/377985178.db2.gz ZJFYNXBHFLDSDE-QMMMGPOBSA-N -1 0 316.335 -0.093 20 0 DBADRM CON(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)[O-])c1 ZINC000294190581 377986903 /nfs/dbraw/zinc/98/69/03/377986903.db2.gz FWWOUUZXFUOVPX-UHFFFAOYSA-N -1 0 302.308 -0.317 20 0 DBADRM CCC[C@H](C)C(=O)NCCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000294201386 377987023 /nfs/dbraw/zinc/98/70/23/377987023.db2.gz XLCQKMSQEXVNAL-QMMMGPOBSA-N -1 0 315.399 -0.141 20 0 DBADRM CC(C)(C)c1n[nH]cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000295053192 378003561 /nfs/dbraw/zinc/00/35/61/378003561.db2.gz ZFJLWPLRKDLXLF-UHFFFAOYSA-N -1 0 316.383 -0.097 20 0 DBADRM CC[C@@H](C)N(CC(=O)OC)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000296817504 378031850 /nfs/dbraw/zinc/03/18/50/378031850.db2.gz GSNQGUGILCHHPY-SSDOTTSWSA-N -1 0 302.356 -0.010 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N[C@@H]1COC[C@H]1O ZINC000297091517 378037921 /nfs/dbraw/zinc/03/79/21/378037921.db2.gz WQNKLFFPJLZTPQ-GHMZBOCLSA-N -1 0 318.326 -0.313 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NCC2(C(=O)[O-])CCC2)nn1 ZINC000532008135 378071120 /nfs/dbraw/zinc/07/11/20/378071120.db2.gz VTALSSGDYHJCGB-UHFFFAOYSA-N -1 0 309.326 -0.649 20 0 DBADRM COCCO[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000330445407 378221093 /nfs/dbraw/zinc/22/10/93/378221093.db2.gz VIRGOTGFTHJHJX-SNVBAGLBSA-N -1 0 311.338 -0.247 20 0 DBADRM Cc1cc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)no1 ZINC000192892873 378332809 /nfs/dbraw/zinc/33/28/09/378332809.db2.gz LXTIVQJCRHDWTM-UHFFFAOYSA-N -1 0 300.296 -0.819 20 0 DBADRM CSc1nc(=NC(=O)NC2CC(CO)(CO)C2)s[n-]1 ZINC000626428342 378391492 /nfs/dbraw/zinc/39/14/92/378391492.db2.gz BQSOGYAKWRIVEX-UHFFFAOYSA-N -1 0 304.397 -0.063 20 0 DBADRM Cn1nnnc1CS(=O)(=O)c1nnc(-c2ccccc2)[n-]1 ZINC000583604585 378427479 /nfs/dbraw/zinc/42/74/79/378427479.db2.gz ROYVAZOJCGYWNU-UHFFFAOYSA-N -1 0 305.323 -0.031 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCO1 ZINC000584348792 378433602 /nfs/dbraw/zinc/43/36/02/378433602.db2.gz KSCXQUXSSWDVPD-QMMMGPOBSA-N -1 0 304.324 -0.251 20 0 DBADRM CC(C)N1CCC[C@@H](N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])C1=O ZINC000333369303 378552562 /nfs/dbraw/zinc/55/25/62/378552562.db2.gz FHZNQPRHHKEQAM-NXEZZACHSA-N -1 0 323.353 -0.348 20 0 DBADRM C[C@@H]1CN(CCNC(=O)c2c[n-]n3c2nccc3=O)[C@H](C)CO1 ZINC000617722993 378562092 /nfs/dbraw/zinc/56/20/92/378562092.db2.gz HTUDIOYDEZVCTR-GHMZBOCLSA-N -1 0 319.365 -0.138 20 0 DBADRM CS(=O)(=O)NCCC(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000532673050 378584945 /nfs/dbraw/zinc/58/49/45/378584945.db2.gz VUAVBOIRFZSUSY-UHFFFAOYSA-N -1 0 324.366 -0.332 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCC1CC1 ZINC000547605616 378580169 /nfs/dbraw/zinc/58/01/69/378580169.db2.gz CQGLHPXEIDXGJN-VIFPVBQESA-N -1 0 311.381 -0.700 20 0 DBADRM C[C@H]1CN(C(=O)NCCS(=O)(=O)N(C)C)CC[C@@H]1C(=O)[O-] ZINC000313968799 378590670 /nfs/dbraw/zinc/59/06/70/378590670.db2.gz NIUWUZIZYDLSCP-UWVGGRQHSA-N -1 0 321.399 -0.370 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCOCC(N)=O ZINC000353316223 378653635 /nfs/dbraw/zinc/65/36/35/378653635.db2.gz SKTVPIGMFSSPBM-UHFFFAOYSA-N -1 0 315.351 -0.710 20 0 DBADRM COC(=O)c1cn(C2CCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC000353624785 378675243 /nfs/dbraw/zinc/67/52/43/378675243.db2.gz FLXUEIZROOQUMG-UHFFFAOYSA-N -1 0 307.314 -0.275 20 0 DBADRM Cc1nc2ccccc2c(=O)n1CC(=O)NCc1n[nH]c(=O)[n-]1 ZINC000354497171 378735473 /nfs/dbraw/zinc/73/54/73/378735473.db2.gz PBFBURYUYNNQSC-UHFFFAOYSA-N -1 0 314.305 -0.155 20 0 DBADRM COc1ncc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1C(N)=O ZINC000354125559 378709708 /nfs/dbraw/zinc/70/97/08/378709708.db2.gz RXMUOCYUPUGJBH-UHFFFAOYSA-N -1 0 307.270 -0.666 20 0 DBADRM CC(C)(NC(=O)c1cnc2sccn2c1=O)c1nnn[n-]1 ZINC000354794759 378767242 /nfs/dbraw/zinc/76/72/42/378767242.db2.gz BEPZBEHRGRZHSJ-UHFFFAOYSA-N -1 0 305.323 -0.066 20 0 DBADRM CN1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)CC1=O ZINC000355456141 378816130 /nfs/dbraw/zinc/81/61/30/378816130.db2.gz MMGCZAYBTOBLQP-UHFFFAOYSA-N -1 0 302.283 -0.056 20 0 DBADRM COCCOC1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC000355468993 378816224 /nfs/dbraw/zinc/81/62/24/378816224.db2.gz GHFYQMOGHVHKJI-UHFFFAOYSA-N -1 0 318.351 -0.241 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c2ccccc2O1 ZINC000356011321 378851252 /nfs/dbraw/zinc/85/12/52/378851252.db2.gz XTGUHEAVLZTEQB-QMMMGPOBSA-N -1 0 317.305 -0.059 20 0 DBADRM CNC(=O)C1(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CC1 ZINC000356983940 378909718 /nfs/dbraw/zinc/90/97/18/378909718.db2.gz QZCFAWSOFZPADY-UHFFFAOYSA-N -1 0 302.294 -0.167 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)c1 ZINC000357516956 378952516 /nfs/dbraw/zinc/95/25/16/378952516.db2.gz JQEJZKMXWYFMEH-UHFFFAOYSA-N -1 0 324.362 -0.057 20 0 DBADRM CCn1ncnc1CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000357987321 378990636 /nfs/dbraw/zinc/99/06/36/378990636.db2.gz AGXHSXKJPZESOH-UHFFFAOYSA-N -1 0 315.293 -0.023 20 0 DBADRM CC(C)CO[C@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000643431328 378992538 /nfs/dbraw/zinc/99/25/38/378992538.db2.gz HHBBXFSTEFROLN-ZJUUUORDSA-N -1 0 307.368 -0.242 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)Cc1ccon1)C(=O)OC ZINC000358130466 379001597 /nfs/dbraw/zinc/00/15/97/379001597.db2.gz MBEURCVBLLFOMN-QMMMGPOBSA-N -1 0 306.296 -0.801 20 0 DBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1n[nH]c(=O)[n-]1 ZINC000358352468 379030418 /nfs/dbraw/zinc/03/04/18/379030418.db2.gz HHEBPTZFRZSXQX-UHFFFAOYSA-N -1 0 316.277 -0.758 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000358361818 379030583 /nfs/dbraw/zinc/03/05/83/379030583.db2.gz UNJRGAXRTHKHNS-UHFFFAOYSA-N -1 0 312.289 -0.014 20 0 DBADRM C[C@@H](CN(C)C(=O)CC(=O)NCC(F)(F)F)c1nnn[n-]1 ZINC000358374836 379033224 /nfs/dbraw/zinc/03/32/24/379033224.db2.gz FSEMVVLDXCEHAK-LURJTMIESA-N -1 0 308.264 -0.170 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1 ZINC000358554899 379056142 /nfs/dbraw/zinc/05/61/42/379056142.db2.gz CREUVCOPAXAAHR-UHFFFAOYSA-N -1 0 310.339 -0.545 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@H](O)C1CCCCC1 ZINC000643433032 379083438 /nfs/dbraw/zinc/08/34/38/379083438.db2.gz MDTCQMFJXVHEIS-GHMZBOCLSA-N -1 0 319.379 -0.362 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)c2ccnn2C)C1=O ZINC000358711426 379077962 /nfs/dbraw/zinc/07/79/62/379077962.db2.gz GSRPPCXMWGALPE-ONGXEEELSA-N -1 0 308.338 -0.140 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cnccn2)C1=O ZINC000358722698 379080466 /nfs/dbraw/zinc/08/04/66/379080466.db2.gz YFTMLMJZSPCILX-GXSJLCMTSA-N -1 0 306.322 -0.084 20 0 DBADRM CCCC[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000359093566 379121628 /nfs/dbraw/zinc/12/16/28/379121628.db2.gz UWGLTTJGCMAIPE-VIFPVBQESA-N -1 0 315.413 -0.016 20 0 DBADRM COc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1-n1cnnn1 ZINC000359256947 379140549 /nfs/dbraw/zinc/14/05/49/379140549.db2.gz HAUIBQHZLQHPBV-UHFFFAOYSA-N -1 0 316.281 -0.575 20 0 DBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)NCc1n[nH]c(=O)[n-]1)C2=O ZINC000359269134 379143736 /nfs/dbraw/zinc/14/37/36/379143736.db2.gz IUJWKHKPAALWRQ-UHFFFAOYSA-N -1 0 315.289 -0.269 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cn(C)nn1 ZINC000359466645 379166641 /nfs/dbraw/zinc/16/66/41/379166641.db2.gz JVCZDAOCDSNEHR-UHFFFAOYSA-N -1 0 300.300 -0.484 20 0 DBADRM CNS(=O)(=O)CCCSc1n[n-]c2nc(=O)c(C)nn12 ZINC000359319142 379149539 /nfs/dbraw/zinc/14/95/39/379149539.db2.gz OTIDKQCZAWKIRL-UHFFFAOYSA-N -1 0 318.384 -0.848 20 0 DBADRM O=C(CCN1C(=O)c2ccccc2C1=O)NCc1n[nH]c(=O)[n-]1 ZINC000359811527 379202257 /nfs/dbraw/zinc/20/22/57/379202257.db2.gz FRBGCMCECMLRHI-UHFFFAOYSA-N -1 0 315.289 -0.187 20 0 DBADRM CC(C)(NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1nnn[n-]1 ZINC000359794031 379199198 /nfs/dbraw/zinc/19/91/98/379199198.db2.gz LEYBLOHWFLUWJY-DTORHVGOSA-N -1 0 320.353 -0.274 20 0 DBADRM CO[C@@]1(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCOC1 ZINC000359807917 379201489 /nfs/dbraw/zinc/20/14/89/379201489.db2.gz ZEWNGZISHIJFRE-CQSZACIVSA-N -1 0 320.305 -0.029 20 0 DBADRM C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC000360409561 379263020 /nfs/dbraw/zinc/26/30/20/379263020.db2.gz YCIUZYZIAUCBBS-NEPJUHHUSA-N -1 0 311.382 -0.090 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)CCOC(C)C)C(=O)OC ZINC000360451648 379267760 /nfs/dbraw/zinc/26/77/60/379267760.db2.gz IIVFCQDIBYJZKY-VIFPVBQESA-N -1 0 311.356 -0.565 20 0 DBADRM Cc1cc(C(=O)N[C@H](C)CC(N)=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000361050841 379324232 /nfs/dbraw/zinc/32/42/32/379324232.db2.gz BLHGWFZYYHRVIA-ZCFIWIBFSA-N -1 0 305.294 -0.262 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)Nc1cn(C)nn1 ZINC000361162786 379332126 /nfs/dbraw/zinc/33/21/26/379332126.db2.gz UYZNENZEYJMWEO-UHFFFAOYSA-N -1 0 314.327 -0.663 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000362567167 379449447 /nfs/dbraw/zinc/44/94/47/379449447.db2.gz HBHKNRSEYQSQSC-LLVKDONJSA-N -1 0 308.290 -0.524 20 0 DBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000362583449 379449333 /nfs/dbraw/zinc/44/93/33/379449333.db2.gz JWDBIYYPEZRWNE-SSDOTTSWSA-N -1 0 303.340 -0.096 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000362816178 379474033 /nfs/dbraw/zinc/47/40/33/379474033.db2.gz ZFHVNJXYBSZOKO-JTQLQIEISA-N -1 0 309.322 -0.078 20 0 DBADRM COc1n[nH]c(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)n1 ZINC000368582138 379547474 /nfs/dbraw/zinc/54/74/74/379547474.db2.gz JGSBNERKBLXGGE-LBPRGKRZSA-N -1 0 308.298 -0.528 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@]2(CO)CCOC2)cn1 ZINC000626447669 379520150 /nfs/dbraw/zinc/52/01/50/379520150.db2.gz XIFFGWWSAAZPOG-GFCCVEGCSA-N -1 0 315.351 -0.666 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)[N-]CC(F)(F)F ZINC000369617201 379594000 /nfs/dbraw/zinc/59/40/00/379594000.db2.gz MKVJOZAWPLPOKJ-CSMHCCOUSA-N -1 0 315.317 -0.031 20 0 DBADRM CN(Cc1ccccc1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643452105 379631182 /nfs/dbraw/zinc/63/11/82/379631182.db2.gz CUXPUCQCXDKVCG-GFCCVEGCSA-N -1 0 306.318 -0.043 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000390331282 379637731 /nfs/dbraw/zinc/63/77/31/379637731.db2.gz KGCFTZKQCPXZAK-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM CC[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643452863 379640851 /nfs/dbraw/zinc/64/08/51/379640851.db2.gz LWJLATYIWSBGAH-HBNTYKKESA-N -1 0 314.338 -0.676 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NC2(CC(=O)[O-])CCCCC2)c1=O ZINC000391266954 379645530 /nfs/dbraw/zinc/64/55/30/379645530.db2.gz DOOPSYKDGZIFIW-UHFFFAOYSA-N -1 0 323.349 -0.159 20 0 DBADRM COC[C@](C)(CO)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000626471203 379609351 /nfs/dbraw/zinc/60/93/51/379609351.db2.gz VTBURRFTZDZIEB-LBPRGKRZSA-N -1 0 317.367 -0.420 20 0 DBADRM Cc1occc1CN(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643457153 379686042 /nfs/dbraw/zinc/68/60/42/379686042.db2.gz KYAZVQZPTSQTOW-NSHDSACASA-N -1 0 310.306 -0.142 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C[C@@H](C)S1 ZINC000643457491 379687435 /nfs/dbraw/zinc/68/74/35/379687435.db2.gz GIGIMEQXIPICIM-BBBLOLIVSA-N -1 0 316.379 -0.349 20 0 DBADRM CCO[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000643456247 379671542 /nfs/dbraw/zinc/67/15/42/379671542.db2.gz OJABGSGKDDPVIP-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000377116163 379679398 /nfs/dbraw/zinc/67/93/98/379679398.db2.gz RLGFARLUVMXWHJ-VXGBXAGGSA-N -1 0 317.411 -0.194 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2ncccc2F)c(=O)n(C)c1=O ZINC000180262071 379744854 /nfs/dbraw/zinc/74/48/54/379744854.db2.gz KGYPLEHWNBSQGI-UHFFFAOYSA-N -1 0 314.298 -0.581 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCS1 ZINC000643460364 379702094 /nfs/dbraw/zinc/70/20/94/379702094.db2.gz WGZZDJJXSXLDDN-VHSXEESVSA-N -1 0 316.379 -0.348 20 0 DBADRM CCC[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC000643460492 379703660 /nfs/dbraw/zinc/70/36/60/379703660.db2.gz RAZCLZWUUWWJGF-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C(F)F)CCO1 ZINC000643460772 379704523 /nfs/dbraw/zinc/70/45/23/379704523.db2.gz UPAKUPHRKOMIMG-IUCAKERBSA-N -1 0 320.292 -0.055 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCc3c[nH]nc3C2)C1 ZINC000643460826 379706810 /nfs/dbraw/zinc/70/68/10/379706810.db2.gz ITFGCYJSOWBSHV-MWLCHTKSSA-N -1 0 320.349 -0.136 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC000643461094 379708424 /nfs/dbraw/zinc/70/84/24/379708424.db2.gz QSHFLJLENNDUMN-ABAIWWIYSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](C3CC3)C2)C1 ZINC000643461220 379708855 /nfs/dbraw/zinc/70/88/55/379708855.db2.gz ZWCWFIJLFPFKCX-ABAIWWIYSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](C3CC3)C2)C1 ZINC000643461222 379709291 /nfs/dbraw/zinc/70/92/91/379709291.db2.gz ZWCWFIJLFPFKCX-NHYWBVRUSA-N -1 0 310.350 -0.053 20 0 DBADRM Cc1ccnc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000192885357 379794853 /nfs/dbraw/zinc/79/48/53/379794853.db2.gz GTUVZEYVCIVUKR-UHFFFAOYSA-N -1 0 310.335 -0.412 20 0 DBADRM CC(C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000348463986 379773596 /nfs/dbraw/zinc/77/35/96/379773596.db2.gz GFLCXEZOMHJEQR-UHFFFAOYSA-N -1 0 322.412 -0.064 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000584775141 379840916 /nfs/dbraw/zinc/84/09/16/379840916.db2.gz CLESXDMUBQXWFA-IONNQARKSA-N -1 0 319.339 -0.726 20 0 DBADRM COCCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000584758245 379841402 /nfs/dbraw/zinc/84/14/02/379841402.db2.gz QNQRNAVHBJYEMN-PWSUYJOCSA-N -1 0 307.368 -0.224 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000584817220 379847244 /nfs/dbraw/zinc/84/72/44/379847244.db2.gz CHZMAAMYNGORIC-GMTAPVOTSA-N -1 0 311.342 -0.154 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000584817223 379848006 /nfs/dbraw/zinc/84/80/06/379848006.db2.gz CHZMAAMYNGORIC-MXWKQRLJSA-N -1 0 311.342 -0.154 20 0 DBADRM CN(C(=O)N1CSC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000040591313 379862029 /nfs/dbraw/zinc/86/20/29/379862029.db2.gz PCZPJFFJSFJEOI-YUMQZZPRSA-N -1 0 308.381 -0.315 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000040503871 379862377 /nfs/dbraw/zinc/86/23/77/379862377.db2.gz JTKKPOSJBGNMKI-UHFFFAOYSA-N -1 0 312.307 -0.958 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000610943899 379863538 /nfs/dbraw/zinc/86/35/38/379863538.db2.gz YBAOHEBKRGCHHA-VIFPVBQESA-N -1 0 313.310 -0.864 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC[C@@H]2CCCCO2)cn1 ZINC000042818044 379866375 /nfs/dbraw/zinc/86/63/75/379866375.db2.gz KOAIYMBLYAKHFE-VIFPVBQESA-N -1 0 303.340 -0.185 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)C[C@@H](C)O1 ZINC000227560523 379866379 /nfs/dbraw/zinc/86/63/79/379866379.db2.gz XJMJHOVCGRJKHB-MXWKQRLJSA-N -1 0 322.383 -0.484 20 0 DBADRM COC(=O)[C@H](NC(=O)c1cnc([O-])n(C)c1=O)c1ccccn1 ZINC000610585454 379814639 /nfs/dbraw/zinc/81/46/39/379814639.db2.gz RBTOPCLIHMZRPG-SNVBAGLBSA-N -1 0 318.289 -0.475 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])C1 ZINC000230094954 379867196 /nfs/dbraw/zinc/86/71/96/379867196.db2.gz SFECHTCEIJOSSC-OPRDCNLKSA-N -1 0 321.399 -0.483 20 0 DBADRM COC(=O)c1sccc1S(=O)(=O)NC[C@H](OC)C(=O)[O-] ZINC000230102957 379867285 /nfs/dbraw/zinc/86/72/85/379867285.db2.gz CTDYZNRDAPNDCN-LURJTMIESA-N -1 0 323.348 -0.087 20 0 DBADRM COCCOCCNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000044721072 379867303 /nfs/dbraw/zinc/86/73/03/379867303.db2.gz WPIJJGQFLJSAPD-JTQLQIEISA-N -1 0 310.372 -0.720 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)[C@@H]1C(=O)[O-] ZINC000230111245 379867366 /nfs/dbraw/zinc/86/73/66/379867366.db2.gz BENQMQGKNFPHIA-XVKPBYJWSA-N -1 0 315.351 -0.392 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-] ZINC000230103317 379867393 /nfs/dbraw/zinc/86/73/93/379867393.db2.gz YNMKSSRETZZYSG-VIFPVBQESA-N -1 0 315.307 -0.766 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)C1 ZINC000643466448 379821026 /nfs/dbraw/zinc/82/10/26/379821026.db2.gz KYHYJPHVXKEZIO-GRYCIOLGSA-N -1 0 322.361 -0.053 20 0 DBADRM CN1CC[C@@H](NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1=O ZINC000230225679 379867626 /nfs/dbraw/zinc/86/76/26/379867626.db2.gz WPXRFENFMACNPL-LLVKDONJSA-N -1 0 312.347 -0.177 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000643467354 379822790 /nfs/dbraw/zinc/82/27/90/379822790.db2.gz LYNCPZKNYMLRDY-JQWIXIFHSA-N -1 0 312.366 -0.071 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1=O ZINC000230225683 379867978 /nfs/dbraw/zinc/86/79/78/379867978.db2.gz WPXRFENFMACNPL-NSHDSACASA-N -1 0 312.347 -0.177 20 0 DBADRM O=C(NC[C@H]1CCC[C@@H](O)C1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000123571009 379886870 /nfs/dbraw/zinc/88/68/70/379886870.db2.gz TWUBJJRCPLPOTP-WCBMZHEXSA-N -1 0 318.333 -0.108 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])[C@H]1OC ZINC000420564662 380065174 /nfs/dbraw/zinc/06/51/74/380065174.db2.gz RTASWXJIROSKCR-LMLFDSFASA-N -1 0 316.354 -0.526 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCCCNc1ccccn1 ZINC000420540416 380065223 /nfs/dbraw/zinc/06/52/23/380065223.db2.gz WLFKDYXLZRHMOJ-UHFFFAOYSA-N -1 0 308.338 -0.019 20 0 DBADRM COc1cc(CNC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)ccn1 ZINC000420538123 380065241 /nfs/dbraw/zinc/06/52/41/380065241.db2.gz ZTEHSCFSGHOAEY-MWLCHTKSSA-N -1 0 321.333 -0.115 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1=O ZINC000420569725 380065297 /nfs/dbraw/zinc/06/52/97/380065297.db2.gz WFZCCKQAQOPVOB-DBIOUOCHSA-N -1 0 323.349 -0.955 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000420527039 380065401 /nfs/dbraw/zinc/06/54/01/380065401.db2.gz DBUMSFGCZKWAAC-VIFPVBQESA-N -1 0 300.311 -0.623 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)N(C)CCC(=O)[O-] ZINC000420566021 380065498 /nfs/dbraw/zinc/06/54/98/380065498.db2.gz JEOOFYBCXYDJHO-SECBINFHSA-N -1 0 302.327 -0.377 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)Cn1cccn1 ZINC000420530968 380065578 /nfs/dbraw/zinc/06/55/78/380065578.db2.gz FUBGIIAZEWUZAC-ABAIWWIYSA-N -1 0 322.365 -0.041 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCCOc1ccc(Cl)cn1 ZINC000420552252 380066238 /nfs/dbraw/zinc/06/62/38/380066238.db2.gz FNSUKAQNIHGESM-UHFFFAOYSA-N -1 0 315.713 -0.179 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCCOC(F)F)C[C@H]1C(=O)[O-] ZINC000420581635 380066380 /nfs/dbraw/zinc/06/63/80/380066380.db2.gz LMDKUTVOMWADDV-HTQZYQBOSA-N -1 0 308.281 -0.089 20 0 DBADRM COC[C@H](NC(=O)C(=O)N(C)CCCC(=O)[O-])[C@@H]1CCCO1 ZINC000420553103 380066569 /nfs/dbraw/zinc/06/65/69/380066569.db2.gz GNDYHSMNCMUHBS-QWRGUYRKSA-N -1 0 316.354 -0.380 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C1 ZINC000420545572 380066857 /nfs/dbraw/zinc/06/68/57/380066857.db2.gz AAKPKBWXBZMKTB-MXWKQRLJSA-N -1 0 323.349 -0.811 20 0 DBADRM CCOC(=O)C[C@@H](C)CNC(=O)C(=O)N(C)CCC(=O)[O-] ZINC000420551609 380067043 /nfs/dbraw/zinc/06/70/43/380067043.db2.gz DWCXPBVGJBITJD-SECBINFHSA-N -1 0 302.327 -0.375 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C1 ZINC000420545569 380067342 /nfs/dbraw/zinc/06/73/42/380067342.db2.gz AAKPKBWXBZMKTB-GMTAPVOTSA-N -1 0 323.349 -0.811 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000420598355 380068455 /nfs/dbraw/zinc/06/84/55/380068455.db2.gz WNXWFPZZYLBFPR-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)[C@@H](C)O ZINC000420686613 380074831 /nfs/dbraw/zinc/07/48/31/380074831.db2.gz HYXWNGBEGUQASO-GMTAPVOTSA-N -1 0 311.400 -0.111 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ncnn1C ZINC000572243810 380139409 /nfs/dbraw/zinc/13/94/09/380139409.db2.gz RHYUZEJHARDRLX-LPEHRKFASA-N -1 0 323.353 -0.439 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])on1 ZINC000572819782 380119064 /nfs/dbraw/zinc/11/90/64/380119064.db2.gz MHOAHYIGQTYWQL-SCZZXKLOSA-N -1 0 304.324 -0.013 20 0 DBADRM CO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C12CCC2 ZINC000572352514 380168381 /nfs/dbraw/zinc/16/83/81/380168381.db2.gz OWKLGPVAWCAEAF-OUAUKWLOSA-N -1 0 310.350 -0.007 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC[C@@H](OC)C(=O)[O-])o1 ZINC000263058390 380207164 /nfs/dbraw/zinc/20/71/64/380207164.db2.gz HCJVHHKJYIJWJO-SSDOTTSWSA-N -1 0 306.296 -0.983 20 0 DBADRM Cc1noc(COCC(=O)N[C@@]2(C(=O)[O-])CCSC2)n1 ZINC000262225065 380176205 /nfs/dbraw/zinc/17/62/05/380176205.db2.gz ULTIGTFXDKOUKM-NSHDSACASA-N -1 0 301.324 -0.029 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000262299718 380182334 /nfs/dbraw/zinc/18/23/34/380182334.db2.gz NKYCRCBNKMGTQF-LPEHRKFASA-N -1 0 307.368 -0.100 20 0 DBADRM O=C([O-])C1(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000262960207 380205948 /nfs/dbraw/zinc/20/59/48/380205948.db2.gz NZCWULRVSMQVSG-UHFFFAOYSA-N -1 0 306.274 -0.122 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N(C)CC1CC1 ZINC000262415285 380187998 /nfs/dbraw/zinc/18/79/98/380187998.db2.gz MDQOLCLLKBIAHR-VIFPVBQESA-N -1 0 321.399 -0.516 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])cn1 ZINC000262490126 380191549 /nfs/dbraw/zinc/19/15/49/380191549.db2.gz XHLHLNBPXIAZFM-SSDOTTSWSA-N -1 0 302.308 -0.038 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548201158 380193635 /nfs/dbraw/zinc/19/36/35/380193635.db2.gz FXXPTFCPDXVELF-ZJUUUORDSA-N -1 0 323.367 -0.261 20 0 DBADRM CCC[C@@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-] ZINC000262695821 380200498 /nfs/dbraw/zinc/20/04/98/380200498.db2.gz XKAMMDYLFVJWHL-MRVPVSSYSA-N -1 0 316.401 -0.902 20 0 DBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262810007 380202073 /nfs/dbraw/zinc/20/20/73/380202073.db2.gz TWZJMAJSYYSFEH-WDEREUQCSA-N -1 0 313.354 -0.119 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])nc2)CCO1 ZINC000262803375 380202405 /nfs/dbraw/zinc/20/24/05/380202405.db2.gz RYQWCDNTXUNWOE-LLVKDONJSA-N -1 0 307.306 -0.243 20 0 DBADRM CCc1oc(C(=O)NCCNS(C)(=O)=O)cc1C(=O)[O-] ZINC000261612279 380150915 /nfs/dbraw/zinc/15/09/15/380150915.db2.gz FZNFZJFHTPSRAS-UHFFFAOYSA-N -1 0 304.324 -0.181 20 0 DBADRM Cn1[n-]nnc1=NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000572330915 380155995 /nfs/dbraw/zinc/15/59/95/380155995.db2.gz OJZWGQOXAHXPCK-UHFFFAOYSA-N -1 0 315.381 -0.217 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000261887275 380159445 /nfs/dbraw/zinc/15/94/45/380159445.db2.gz SGTHFMDRFHDARG-UHFFFAOYSA-N -1 0 312.347 -0.143 20 0 DBADRM CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000580427760 380264704 /nfs/dbraw/zinc/26/47/04/380264704.db2.gz OLPGPJQMFDYBHQ-MRVPVSSYSA-N -1 0 315.376 -0.319 20 0 DBADRM COCCOCCNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC000580428561 380265886 /nfs/dbraw/zinc/26/58/86/380265886.db2.gz UBOCWNRGQPVHQP-UHFFFAOYSA-N -1 0 304.324 -0.279 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263103789 380210043 /nfs/dbraw/zinc/21/00/43/380210043.db2.gz ZRMVHFQUWOXPJZ-NXEZZACHSA-N -1 0 306.384 -0.163 20 0 DBADRM C[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@@H](C(=O)[O-])C1 ZINC000263130807 380210395 /nfs/dbraw/zinc/21/03/95/380210395.db2.gz VZJSLCNLQHZJDJ-NXEZZACHSA-N -1 0 304.368 -0.266 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)c1cnc(C(=O)[O-])cn1 ZINC000263310972 380213628 /nfs/dbraw/zinc/21/36/28/380213628.db2.gz XJNJTRMNTMCKAJ-UHFFFAOYSA-N -1 0 310.310 -0.601 20 0 DBADRM C[C@@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)C[C@H]1C(=O)[O-] ZINC000263278124 380213882 /nfs/dbraw/zinc/21/38/82/380213882.db2.gz WZOUGQKYMZNWBV-RKDXNWHRSA-N -1 0 318.337 -0.032 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)CCOCc1ccccc1)C(=O)[O-] ZINC000263508912 380219075 /nfs/dbraw/zinc/21/90/75/380219075.db2.gz WSGQNRPQKJVANF-CYBMUJFWSA-N -1 0 317.363 -0.042 20 0 DBADRM C[C@@]1(O)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000611953636 380235090 /nfs/dbraw/zinc/23/50/90/380235090.db2.gz LPRYVZUZLFHGLC-GFCCVEGCSA-N -1 0 300.336 -0.364 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1cc(=O)n(C)[n-]1 ZINC000612015642 380325283 /nfs/dbraw/zinc/32/52/83/380325283.db2.gz CUZGMSMWOPATKV-MRVPVSSYSA-N -1 0 302.356 -0.721 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)C[C@H]1C(=O)[O-] ZINC000422551216 380290161 /nfs/dbraw/zinc/29/01/61/380290161.db2.gz DFOYLABHPSLKIG-CHWFTXMASA-N -1 0 306.384 -0.007 20 0 DBADRM C[C@@H]1CCCCN1C(=O)CN1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000333612498 296308288 /nfs/dbraw/zinc/30/82/88/296308288.db2.gz SEXFSJILSARWAD-NXEZZACHSA-N -1 0 323.353 -0.347 20 0 DBADRM CCOc1cc2c(cc1NC(=O)C(=O)NCC(=O)[O-])OCCO2 ZINC000422649329 380294120 /nfs/dbraw/zinc/29/41/20/380294120.db2.gz IFINVYRBDCOTAB-UHFFFAOYSA-N -1 0 324.289 -0.004 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C[C@@H](CO)O1 ZINC000422631000 380294228 /nfs/dbraw/zinc/29/42/28/380294228.db2.gz CYTIXIPSWBGGHX-UWVGGRQHSA-N -1 0 322.317 -0.069 20 0 DBADRM COC(=O)[C@H]1CCCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000422735913 380295735 /nfs/dbraw/zinc/29/57/35/380295735.db2.gz WWXHTOVYYURLPJ-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM COC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000422733545 380295929 /nfs/dbraw/zinc/29/59/29/380295929.db2.gz RCXDFPUEGFPQHS-UWVGGRQHSA-N -1 0 312.322 -0.669 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCn2cccn2)C1 ZINC000422724845 380296203 /nfs/dbraw/zinc/29/62/03/380296203.db2.gz WTXLHLOJYWLHIY-GHMZBOCLSA-N -1 0 308.338 -0.432 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000422703189 380296270 /nfs/dbraw/zinc/29/62/70/380296270.db2.gz MKADFORCEUVKSS-VHSXEESVSA-N -1 0 313.354 -0.850 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000422724169 380296530 /nfs/dbraw/zinc/29/65/30/380296530.db2.gz UTJOEQATXYHVGO-WOPDTQHZSA-N -1 0 322.365 -0.043 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CCO)C[C@H]1C(=O)[O-] ZINC000422718846 380296816 /nfs/dbraw/zinc/29/68/16/380296816.db2.gz XQBZXJLGOIGERE-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM COCCN(CC(F)F)C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000422797557 380297591 /nfs/dbraw/zinc/29/75/91/380297591.db2.gz NIHNMQVKLRTWHU-QMMMGPOBSA-N -1 0 310.297 -0.094 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@@H]1C(C)(C)O)C(=O)[O-] ZINC000422828620 380297733 /nfs/dbraw/zinc/29/77/33/380297733.db2.gz OOOADTDCDCTWLY-NXEZZACHSA-N -1 0 300.355 -0.073 20 0 DBADRM CC(C)N1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC1=O ZINC000422827831 380297905 /nfs/dbraw/zinc/29/79/05/380297905.db2.gz NOUMLFKXJFCKCS-SNVBAGLBSA-N -1 0 313.354 -0.755 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC2(CO)CC2)C1 ZINC000422824716 380298126 /nfs/dbraw/zinc/29/81/26/380298126.db2.gz ODRLHPXVFKCJBO-WDEREUQCSA-N -1 0 312.366 -0.214 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000422846905 380299794 /nfs/dbraw/zinc/29/97/94/380299794.db2.gz GWCYZXFHBARJNZ-GFCCVEGCSA-N -1 0 321.333 -0.006 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)[C@H]1CO ZINC000422832776 380300731 /nfs/dbraw/zinc/30/07/31/380300731.db2.gz FYFJZDRTLQCSNP-RHYQMDGZSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@](C)(O)C2)C1 ZINC000422840893 380300739 /nfs/dbraw/zinc/30/07/39/380300739.db2.gz CHVGAWZHBOVSHU-UEKVPHQBSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000422831889 380300827 /nfs/dbraw/zinc/30/08/27/380300827.db2.gz FLBCBECUAJSGPN-WDEREUQCSA-N -1 0 300.355 -0.071 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000422864456 380302148 /nfs/dbraw/zinc/30/21/48/380302148.db2.gz NCMOGMJRYXQVTI-MNOVXSKESA-N -1 0 300.355 -0.214 20 0 DBADRM COCCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC000422875060 380302265 /nfs/dbraw/zinc/30/22/65/380302265.db2.gz BLPILEOCJIDAPF-GHMZBOCLSA-N -1 0 316.354 -0.571 20 0 DBADRM CCOCCOC1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000422913208 380303214 /nfs/dbraw/zinc/30/32/14/380303214.db2.gz PKHGGCKTDDSECT-JTQLQIEISA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N(CC(C)(C)O)C1CC1)C(=O)[O-] ZINC000422895820 380303338 /nfs/dbraw/zinc/30/33/38/380303338.db2.gz WUUVQPSXXNSPTR-VIFPVBQESA-N -1 0 300.355 -0.073 20 0 DBADRM CCOCCOC1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000422913209 380303355 /nfs/dbraw/zinc/30/33/55/380303355.db2.gz PKHGGCKTDDSECT-SNVBAGLBSA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)[C@H]1C ZINC000422923317 380303643 /nfs/dbraw/zinc/30/36/43/380303643.db2.gz RQWNQRDNIQUYBA-IVZWLZJFSA-N -1 0 312.322 -0.671 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCc2cc[nH]c(=O)c2C1)C(=O)[O-] ZINC000422927623 380304177 /nfs/dbraw/zinc/30/41/77/380304177.db2.gz ZHYPBPKDEARSGG-VIFPVBQESA-N -1 0 321.333 -0.149 20 0 DBADRM CN(CC(C)(C)CO)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000422941678 380305313 /nfs/dbraw/zinc/30/53/13/380305313.db2.gz VIWSOHGVTAMYCD-CQSZACIVSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[C@H]2O)C[C@H]1C(=O)[O-] ZINC000422903792 380305578 /nfs/dbraw/zinc/30/55/78/380305578.db2.gz WNVNMLZYAJDCDX-DDHJBXDOSA-N -1 0 312.366 -0.215 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)C[C@@H](O)Cc1ccccc1 ZINC000422938902 380305763 /nfs/dbraw/zinc/30/57/63/380305763.db2.gz LHJNCBUXXPQFJL-ZDUSSCGKSA-N -1 0 322.361 -0.019 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC[C@H]1O ZINC000422941069 380305986 /nfs/dbraw/zinc/30/59/86/380305986.db2.gz UQFBWHAAZGZMQP-PVTKRXDGSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC[C@@H]1O ZINC000422941064 380306096 /nfs/dbraw/zinc/30/60/96/380306096.db2.gz UQFBWHAAZGZMQP-CENBSLRLSA-N -1 0 324.377 -0.071 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000424511905 380395626 /nfs/dbraw/zinc/39/56/26/380395626.db2.gz ZHVGAOXVYBVPLQ-VIFPVBQESA-N -1 0 315.370 -0.414 20 0 DBADRM CCn1ncnc1CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000626781800 380367447 /nfs/dbraw/zinc/36/74/47/380367447.db2.gz NYMUUTZQCRRLCH-UHFFFAOYSA-N -1 0 324.366 -0.006 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCc1cnccn1)C(=O)[O-] ZINC000424508239 380396457 /nfs/dbraw/zinc/39/64/57/380396457.db2.gz VNLMYDOYMBOHGT-LLVKDONJSA-N -1 0 322.365 -0.002 20 0 DBADRM C[C@@H](CCCO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612237257 380382537 /nfs/dbraw/zinc/38/25/37/380382537.db2.gz YYICFSYHFDRPMZ-QMMMGPOBSA-N -1 0 302.352 -0.070 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@H](n2ccnn2)C1)C(=O)[O-] ZINC000424503152 380393662 /nfs/dbraw/zinc/39/36/62/380393662.db2.gz HPBWKNKCFMSEJL-QWRGUYRKSA-N -1 0 323.353 -0.379 20 0 DBADRM C[C@@H]1CN(C(=O)NCCNC(=O)c2ccn[nH]2)CC[C@@H]1C(=O)[O-] ZINC000626759882 380349495 /nfs/dbraw/zinc/34/94/95/380349495.db2.gz UUSREDUBUKONIX-ZJUUUORDSA-N -1 0 323.353 -0.108 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCCC(=O)[O-])C1 ZINC000626766765 380350802 /nfs/dbraw/zinc/35/08/02/380350802.db2.gz QLWCLFYVJJPGMM-SECBINFHSA-N -1 0 307.372 -0.568 20 0 DBADRM CSCC[C@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000040581546 380350858 /nfs/dbraw/zinc/35/08/58/380350858.db2.gz JAIIMDSKOAVDPV-QMMMGPOBSA-N -1 0 310.397 -0.367 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)CCO1 ZINC000626765786 380350873 /nfs/dbraw/zinc/35/08/73/380350873.db2.gz MXNQFODQJKZEKK-VQXHTEKXSA-N -1 0 313.354 -0.084 20 0 DBADRM C[C@@H](CNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1)C(=O)[O-] ZINC000626771789 380358284 /nfs/dbraw/zinc/35/82/84/380358284.db2.gz QIVXKHBDMJWHKS-VIFPVBQESA-N -1 0 319.383 -0.474 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000612633549 380425576 /nfs/dbraw/zinc/42/55/76/380425576.db2.gz VDTCAKJCGJAHET-SNVBAGLBSA-N -1 0 309.290 -0.082 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000628523977 380451311 /nfs/dbraw/zinc/45/13/11/380451311.db2.gz YVWFWBYTXMYHFA-QWRGUYRKSA-N -1 0 318.326 -0.625 20 0 DBADRM COCCN1C[C@H](C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)CC1=O ZINC000537125462 380452402 /nfs/dbraw/zinc/45/24/02/380452402.db2.gz PMMLNZUXMIKSLN-GHMZBOCLSA-N -1 0 322.369 -0.599 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000537124020 380453008 /nfs/dbraw/zinc/45/30/08/380453008.db2.gz VJEUDGNCIFFKBW-MRVPVSSYSA-N -1 0 321.341 -0.764 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)CC1=O ZINC000537125463 380453125 /nfs/dbraw/zinc/45/31/25/380453125.db2.gz PMMLNZUXMIKSLN-MNOVXSKESA-N -1 0 322.369 -0.599 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCC2)CCO1 ZINC000133389522 380493320 /nfs/dbraw/zinc/49/33/20/380493320.db2.gz IIETUKKOSMBXRG-VIFPVBQESA-N -1 0 300.311 -0.175 20 0 DBADRM COC[C@@H](O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613143881 380495015 /nfs/dbraw/zinc/49/50/15/380495015.db2.gz JWUJVNLENUVLMC-QMMMGPOBSA-N -1 0 318.351 -0.833 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@@H]1O ZINC000613188428 380507715 /nfs/dbraw/zinc/50/77/15/380507715.db2.gz UQGBNNMIOUJJDM-HQJQHLMTSA-N -1 0 300.336 -0.508 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NCCNC(=O)N(C)C)cc1 ZINC000631188794 380470356 /nfs/dbraw/zinc/47/03/56/380470356.db2.gz GHFNZPRRRBIYMZ-UHFFFAOYSA-N -1 0 319.369 -0.165 20 0 DBADRM CN(C(=O)c1cccc(-c2nc(=O)o[n-]2)c1)[C@@H]1CCNC1=O ZINC000613079140 380476129 /nfs/dbraw/zinc/47/61/29/380476129.db2.gz GTNDHZUJBGZDRE-SNVBAGLBSA-N -1 0 302.290 -0.010 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000629338159 380631870 /nfs/dbraw/zinc/63/18/70/380631870.db2.gz JZFWYNOZUUSHDP-QWRGUYRKSA-N -1 0 324.399 -0.331 20 0 DBADRM CN(C)c1ncccc1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000435234495 380586934 /nfs/dbraw/zinc/58/69/34/380586934.db2.gz HDDGOEVIFSOSQM-UHFFFAOYSA-N -1 0 303.322 -0.123 20 0 DBADRM CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)c1ncc[n-]1 ZINC000632556460 380609127 /nfs/dbraw/zinc/60/91/27/380609127.db2.gz KDYYPNAIOYEKIY-UHFFFAOYSA-N -1 0 303.388 -0.950 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1cnn(C[C@H]2CCCO2)c1 ZINC000629286798 380622699 /nfs/dbraw/zinc/62/26/99/380622699.db2.gz DYZBUTATQSHDJI-SNVBAGLBSA-N -1 0 312.355 -0.009 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)c1cnc(C)n1C)C(=O)[O-] ZINC000629296926 380623846 /nfs/dbraw/zinc/62/38/46/380623846.db2.gz YFARUFBTURLZJM-VIFPVBQESA-N -1 0 303.340 -0.171 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)n1C ZINC000629294478 380623983 /nfs/dbraw/zinc/62/39/83/380623983.db2.gz YJBYOCCTSMUUFP-WPRPVWTQSA-N -1 0 303.340 -0.503 20 0 DBADRM CCO[C@H](CS(=O)(=O)N[C@]1(C(=O)[O-])CCOC1)C1CC1 ZINC000629303082 380624022 /nfs/dbraw/zinc/62/40/22/380624022.db2.gz KEJCRUOXGLOOMD-ZYHUDNBSSA-N -1 0 307.368 -0.035 20 0 DBADRM Cc1ncc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])n1C ZINC000629300901 380624191 /nfs/dbraw/zinc/62/41/91/380624191.db2.gz USVUHVAHVNRORB-LLVKDONJSA-N -1 0 305.356 -0.520 20 0 DBADRM C[C@@](CO)(CNS(=O)(=O)[C@@H]1COC(C)(C)C1)CC(=O)[O-] ZINC000629300090 380624286 /nfs/dbraw/zinc/62/42/86/380624286.db2.gz BSEBQUDXFBRSOU-CABZTGNLSA-N -1 0 309.384 -0.053 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)CCc1c(F)cccc1F ZINC000629305765 380625095 /nfs/dbraw/zinc/62/50/95/380625095.db2.gz WHDJHAFDDFTXPG-SNVBAGLBSA-N -1 0 309.290 -0.128 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC000629307917 380625114 /nfs/dbraw/zinc/62/51/14/380625114.db2.gz BHNDJSAYYKANBM-ZETCQYMHSA-N -1 0 302.299 -0.396 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2c(C)cnn2C)[C@](C)(C(=O)[O-])C1 ZINC000629307683 380625249 /nfs/dbraw/zinc/62/52/49/380625249.db2.gz FTCAODLTHAESMU-SKDRFNHKSA-N -1 0 317.367 -0.019 20 0 DBADRM O=C([O-])c1cnc(CNS(=O)(=O)C[C@H]2CCCO2)nc1 ZINC000629313647 380625340 /nfs/dbraw/zinc/62/53/40/380625340.db2.gz DAPLXVNDWZBHNW-SECBINFHSA-N -1 0 301.324 -0.227 20 0 DBADRM Cc1ncc(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C(=O)[O-])n1C ZINC000629305584 380625367 /nfs/dbraw/zinc/62/53/67/380625367.db2.gz MSLSAIGAHJGSDI-VAOFZXAKSA-N -1 0 317.367 -0.020 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2cnc(C)n2C)[C@@](C)(C(=O)[O-])C1 ZINC000629307715 380625474 /nfs/dbraw/zinc/62/54/74/380625474.db2.gz HBLMMCXYFHWZMF-BXKDBHETSA-N -1 0 317.367 -0.019 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)N2CCOCC2)[C@@](C)(C(=O)[O-])C1 ZINC000629307151 380625618 /nfs/dbraw/zinc/62/56/18/380625618.db2.gz BOPNFLKYDIYSIU-MWLCHTKSSA-N -1 0 308.356 -0.873 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000629313834 380625653 /nfs/dbraw/zinc/62/56/53/380625653.db2.gz IUSVVHHJADSWIN-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2c[nH]nc2C)[C@@](C)(C(=O)[O-])C1 ZINC000629309935 380626912 /nfs/dbraw/zinc/62/69/12/380626912.db2.gz NREVVPRAPIUAIQ-GZMMTYOYSA-N -1 0 303.340 -0.029 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000629314544 380627292 /nfs/dbraw/zinc/62/72/92/380627292.db2.gz WQYYIYGLVVOJHD-QMMMGPOBSA-N -1 0 300.340 -0.007 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)[C@](C)(C(=O)[O-])C1 ZINC000629308546 380627434 /nfs/dbraw/zinc/62/74/34/380627434.db2.gz RQICYOLRBIKWSE-AUTRQRHGSA-N -1 0 322.383 -0.643 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-])C1CC1 ZINC000629332402 380629159 /nfs/dbraw/zinc/62/91/59/380629159.db2.gz FHAPVDRACQIBLL-VWYCJHECSA-N -1 0 307.368 -0.037 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000640451169 380667278 /nfs/dbraw/zinc/66/72/78/380667278.db2.gz MAUJKXBQECWVIV-ZCFIWIBFSA-N -1 0 322.243 -0.268 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000640451104 380667807 /nfs/dbraw/zinc/66/78/07/380667807.db2.gz JVKQJSZLQWIZFW-JTQLQIEISA-N -1 0 308.338 -0.030 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC000194473774 380670605 /nfs/dbraw/zinc/67/06/05/380670605.db2.gz ZYTOQLHFEOHYCR-VHSXEESVSA-N -1 0 304.306 -0.135 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CCN(C2CCC2)C1=O ZINC000629923957 380765826 /nfs/dbraw/zinc/76/58/26/380765826.db2.gz VETVPQLKJHGILH-QMMMGPOBSA-N -1 0 311.367 -0.128 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1CCN(C2CCC2)C1=O ZINC000629923956 380766426 /nfs/dbraw/zinc/76/64/26/380766426.db2.gz VETVPQLKJHGILH-MRVPVSSYSA-N -1 0 311.367 -0.128 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC(C(C)(C)O)C2)CC[C@H]1C(=O)[O-] ZINC000629775090 380716677 /nfs/dbraw/zinc/71/66/77/380716677.db2.gz RSXAFNCKLJBMHT-GXSJLCMTSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]2(C)CO)CC[C@H]1C(=O)[O-] ZINC000629775076 380716874 /nfs/dbraw/zinc/71/68/74/380716874.db2.gz GYZBSTMVRMEPSR-UEKVPHQBSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cnn(C)c2)CC[C@H]1C(=O)[O-] ZINC000629773691 380717004 /nfs/dbraw/zinc/71/70/04/380717004.db2.gz QUBOFZSNAROMEB-ZYHUDNBSSA-N -1 0 322.365 -0.052 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CCO)CC[C@@H]1C(=O)[O-] ZINC000629778333 380717125 /nfs/dbraw/zinc/71/71/25/380717125.db2.gz AAAPDQQQEANXSZ-WOPDTQHZSA-N -1 0 312.366 -0.071 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000629778329 380718451 /nfs/dbraw/zinc/71/84/51/380718451.db2.gz ZZWPSYGTXSRTCK-WDEREUQCSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2cc[nH]n2)CC[C@@H]1C(=O)[O-] ZINC000629777614 380719072 /nfs/dbraw/zinc/71/90/72/380719072.db2.gz QJHZVRFFJUFVBD-ONGXEEELSA-N -1 0 308.338 -0.063 20 0 DBADRM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000195440562 380719179 /nfs/dbraw/zinc/71/91/79/380719179.db2.gz FZQVQUBIMBGBPS-SSDOTTSWSA-N -1 0 303.306 -0.016 20 0 DBADRM C[C@H](O)C[C@H]1COCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000195455652 380719203 /nfs/dbraw/zinc/71/92/03/380719203.db2.gz YTKVNSPNYDIKMP-YUMQZZPRSA-N -1 0 306.306 -0.145 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CCF)C2)C1 ZINC000629781394 380720148 /nfs/dbraw/zinc/72/01/48/380720148.db2.gz LYVDPHBTRMNFDN-WDEREUQCSA-N -1 0 316.329 -0.103 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCCC(F)(F)CC2)CCO1 ZINC000629781730 380720451 /nfs/dbraw/zinc/72/04/51/380720451.db2.gz RRTYDJQFGHHHHO-VIFPVBQESA-N -1 0 320.292 -0.054 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ncccc2O)C1 ZINC000455781847 380721214 /nfs/dbraw/zinc/72/12/14/380721214.db2.gz GVIBOCVULLZAER-AWEZNQCLSA-N -1 0 307.306 -0.160 20 0 DBADRM CN(C(=O)C(=O)N1CCC(C(=O)[O-])CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629782981 380721297 /nfs/dbraw/zinc/72/12/97/380721297.db2.gz CGMBTGDPWABGQV-AOOOYVTPSA-N -1 0 311.338 -0.968 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000629782360 380721323 /nfs/dbraw/zinc/72/13/23/380721323.db2.gz VGVNTFLEAMOYMX-NOOOWODRSA-N -1 0 312.366 -0.215 20 0 DBADRM CCOC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC000629782678 380721400 /nfs/dbraw/zinc/72/14/00/380721400.db2.gz GXJSTIBWJQKPQH-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM CCOC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC000629782679 380721452 /nfs/dbraw/zinc/72/14/52/380721452.db2.gz GXJSTIBWJQKPQH-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000623509009 381008139 /nfs/dbraw/zinc/00/81/39/381008139.db2.gz PMWVEWIONIFFQI-MRVPVSSYSA-N -1 0 314.367 -0.293 20 0 DBADRM COC[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])OC ZINC000613373531 381064704 /nfs/dbraw/zinc/06/47/04/381064704.db2.gz DWUKZEUKMDUISI-MRVPVSSYSA-N -1 0 318.351 -0.569 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000630074728 381066921 /nfs/dbraw/zinc/06/69/21/381066921.db2.gz AGFULYXZZOBFTO-UHFFFAOYSA-N -1 0 307.314 -0.210 20 0 DBADRM NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)cc1 ZINC000222496139 381071161 /nfs/dbraw/zinc/07/11/61/381071161.db2.gz SDVFVQZPOQWYEN-NXEZZACHSA-N -1 0 314.319 -0.095 20 0 DBADRM Cc1cc(C(=O)NCCn2cccn2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000174261437 381041309 /nfs/dbraw/zinc/04/13/09/381041309.db2.gz JWHOZJJCPNJVLT-UHFFFAOYSA-N -1 0 314.305 -0.041 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc1 ZINC000230064845 381098307 /nfs/dbraw/zinc/09/83/07/381098307.db2.gz NUKVTCFXWKVXOB-JTQLQIEISA-N -1 0 317.319 -0.413 20 0 DBADRM CNS(=O)(=O)CCNC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000231017948 381104437 /nfs/dbraw/zinc/10/44/37/381104437.db2.gz MMWQYFWKOMRYAV-UHFFFAOYSA-N -1 0 315.351 -0.267 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]CC(F)(F)CO ZINC000231780622 381105439 /nfs/dbraw/zinc/10/54/39/381105439.db2.gz MJWNHHLPWGBSJL-MRVPVSSYSA-N -1 0 316.326 -0.524 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)c1ccnn1C)C(=O)[O-] ZINC000233691338 381115377 /nfs/dbraw/zinc/11/53/77/381115377.db2.gz FPRBHTBHGIPWTE-QMMMGPOBSA-N -1 0 319.339 -0.505 20 0 DBADRM CN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1=O ZINC000619054317 381148900 /nfs/dbraw/zinc/14/89/00/381148900.db2.gz ZRRGYOAFKDYRIG-UHFFFAOYSA-N -1 0 317.305 -0.260 20 0 DBADRM O=C(N[C@H]1CCCCNC1=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000054002871 381162806 /nfs/dbraw/zinc/16/28/06/381162806.db2.gz YZWNUMFHRFUAPO-VIFPVBQESA-N -1 0 317.305 -0.578 20 0 DBADRM NC(=O)C1(CNC(=O)c2ccc(C(=O)[O-])nc2)CCOCC1 ZINC000613650697 381163636 /nfs/dbraw/zinc/16/36/36/381163636.db2.gz SOEWIDNBHVDKFF-UHFFFAOYSA-N -1 0 307.306 -0.208 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000613474208 381128578 /nfs/dbraw/zinc/12/85/78/381128578.db2.gz FYXHAFWBZRIFBO-YUMQZZPRSA-N -1 0 304.376 -0.911 20 0 DBADRM Cc1ncc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)s1 ZINC000235971193 381131403 /nfs/dbraw/zinc/13/14/03/381131403.db2.gz VGHUZQXKRCZKKP-UHFFFAOYSA-N -1 0 317.352 -0.280 20 0 DBADRM C[C@H](CN(C)C(=O)Cc1nnn(C(C)(C)C)n1)c1nnn[n-]1 ZINC000613476107 381131700 /nfs/dbraw/zinc/13/17/00/381131700.db2.gz UHEQWMGDIVKNTL-MRVPVSSYSA-N -1 0 307.362 -0.254 20 0 DBADRM CN(CC1(CO)CC1)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613799226 381192512 /nfs/dbraw/zinc/19/25/12/381192512.db2.gz LMFJTROJDDAWAD-UHFFFAOYSA-N -1 0 314.363 -0.116 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](CO)CC(F)F)c1 ZINC000614004476 381209456 /nfs/dbraw/zinc/20/94/56/381209456.db2.gz MTSAAFBSBRZSHS-LURJTMIESA-N -1 0 324.305 -0.215 20 0 DBADRM Cc1nc(NC(=O)C2=C([O-])C(C)N=N2)c(C(=O)NCCO)n1C ZINC000613982565 381211345 /nfs/dbraw/zinc/21/13/45/381211345.db2.gz ISOOJUKOFMTCCO-UHFFFAOYSA-N -1 0 322.325 -0.560 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@H](O)C2)c1 ZINC000614174116 381235741 /nfs/dbraw/zinc/23/57/41/381235741.db2.gz ZKQRTHRDHBJRSH-QMMMGPOBSA-N -1 0 300.336 -0.364 20 0 DBADRM COC(=O)c1c(C)cccc1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000614313507 381244496 /nfs/dbraw/zinc/24/44/96/381244496.db2.gz NINNLGMLJQCEOP-QMMMGPOBSA-N -1 0 317.319 -0.495 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000530140479 381291577 /nfs/dbraw/zinc/29/15/77/381291577.db2.gz FOMZTAVWQXKGTO-SNVBAGLBSA-N -1 0 308.400 -0.168 20 0 DBADRM CCOCCS(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000530143647 381292260 /nfs/dbraw/zinc/29/22/60/381292260.db2.gz ZWYDBLDUJWQWRE-UHFFFAOYSA-N -1 0 308.400 -0.167 20 0 DBADRM COCCCS(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000530141188 381292668 /nfs/dbraw/zinc/29/26/68/381292668.db2.gz SJBHBFVMTSBTMZ-UHFFFAOYSA-N -1 0 308.400 -0.167 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)[C@H]2CCOC2)CC1 ZINC000530140893 381292679 /nfs/dbraw/zinc/29/26/79/381292679.db2.gz NCKGYHSNVNAVJK-JTQLQIEISA-N -1 0 306.384 -0.414 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)NC[C@H]1CCCCO1 ZINC000530149160 381293860 /nfs/dbraw/zinc/29/38/60/381293860.db2.gz LOLLOEULRNCEBZ-MRVPVSSYSA-N -1 0 303.340 -0.034 20 0 DBADRM CCn1nncc1CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000530150698 381293959 /nfs/dbraw/zinc/29/39/59/381293959.db2.gz XAJLAAMGAKHMAV-UHFFFAOYSA-N -1 0 317.352 -0.069 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)NC[C@@]1(C)CCOC1 ZINC000530151422 381294074 /nfs/dbraw/zinc/29/40/74/381294074.db2.gz ABNMPGLYOXDKBF-LLVKDONJSA-N -1 0 303.340 -0.177 20 0 DBADRM CN(Cc1cnn(C)c1)S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530147773 381294129 /nfs/dbraw/zinc/29/41/29/381294129.db2.gz LKJUFVDCRHPZCR-UHFFFAOYSA-N -1 0 313.339 -0.328 20 0 DBADRM Cc1nccc(CNS(=O)(=O)c2c(C(=O)[O-])cnn2C)n1 ZINC000530150963 381294572 /nfs/dbraw/zinc/29/45/72/381294572.db2.gz VZIZDSIXBZRNMJ-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM CCn1nncc1CNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000530148115 381294590 /nfs/dbraw/zinc/29/45/90/381294590.db2.gz AVFRXDSRSPLHHV-UHFFFAOYSA-N -1 0 317.352 -0.069 20 0 DBADRM CCOC[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCO1 ZINC000530153896 381295667 /nfs/dbraw/zinc/29/56/67/381295667.db2.gz ZJXDFXSCYHQVLQ-QWRGUYRKSA-N -1 0 322.383 -0.483 20 0 DBADRM Cc1nc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)sc1S(N)(=O)=O ZINC000530176855 381295736 /nfs/dbraw/zinc/29/57/36/381295736.db2.gz JYONHBHNEUYMEZ-VDTYLAMSSA-N -1 0 321.380 -0.223 20 0 DBADRM CCn1ncc(CNS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000530153466 381295942 /nfs/dbraw/zinc/29/59/42/381295942.db2.gz VSLWYBCAUOIDNJ-SECBINFHSA-N -1 0 317.371 -0.571 20 0 DBADRM O=C([O-])c1cnc(N2CCN(S(=O)(=O)C3CC3)CC2)nc1 ZINC000530174197 381296092 /nfs/dbraw/zinc/29/60/92/381296092.db2.gz DOXCKCJVDMCVIZ-UHFFFAOYSA-N -1 0 312.351 -0.211 20 0 DBADRM C[C@H]1OCCN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)[C@@H]1C ZINC000530154297 381296119 /nfs/dbraw/zinc/29/61/19/381296119.db2.gz LKNCYLUOTCMXNH-HTQZYQBOSA-N -1 0 303.340 -0.084 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N1CCOC[C@@H]1C1CC1 ZINC000530155626 381296244 /nfs/dbraw/zinc/29/62/44/381296244.db2.gz WDCGHJAMZIKZAL-SNVBAGLBSA-N -1 0 315.351 -0.082 20 0 DBADRM O=C([O-])c1cnc(N2CCN(S(=O)(=O)C3CC3)CC2)cn1 ZINC000530252429 381298262 /nfs/dbraw/zinc/29/82/62/381298262.db2.gz MQPUJAIIWWZOCP-UHFFFAOYSA-N -1 0 312.351 -0.211 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H](C)CC(N)=O)ccc1[O-] ZINC000614569919 381301483 /nfs/dbraw/zinc/30/14/83/381301483.db2.gz WOVIICGBKCRZNH-SSDOTTSWSA-N -1 0 315.351 -0.250 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@H]1CCC(=O)NC1 ZINC000530295782 381302511 /nfs/dbraw/zinc/30/25/11/381302511.db2.gz XXZWRDUWUKKPPD-QMMMGPOBSA-N -1 0 302.294 -0.167 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1 ZINC000630105441 381323355 /nfs/dbraw/zinc/32/33/55/381323355.db2.gz UMICFDZERHLKDR-NHCYSSNCSA-N -1 0 316.354 -0.524 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2cc(C(=O)[O-])nn2C)CC1=O ZINC000630124406 381326296 /nfs/dbraw/zinc/32/62/96/381326296.db2.gz VCSWKLBNJXHOMU-NQMVMOMDSA-N -1 0 306.322 -0.143 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2cc(C(=O)[O-])nn2C)CC1=O ZINC000630124405 381326493 /nfs/dbraw/zinc/32/64/93/381326493.db2.gz VCSWKLBNJXHOMU-MRTMQBJTSA-N -1 0 306.322 -0.143 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCCn2cccn2)CC[C@H]1C(=O)[O-] ZINC000627263210 381333833 /nfs/dbraw/zinc/33/38/33/381333833.db2.gz ZKEGVVYBGFDOOI-NWDGAFQWSA-N -1 0 322.365 -0.041 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cnc2n1CCC2)CC(=O)[O-] ZINC000530382759 381306988 /nfs/dbraw/zinc/30/69/88/381306988.db2.gz XXUYUDDNKFKWQU-MRVPVSSYSA-N -1 0 303.340 -0.403 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCCn2ccnc2)CC[C@@H]1C(=O)[O-] ZINC000627260523 381317626 /nfs/dbraw/zinc/31/76/26/381317626.db2.gz JVKVUJBUZOIHLQ-NEPJUHHUSA-N -1 0 322.365 -0.041 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@H]3C=CCCC3)cc-2c(=O)[n-]1 ZINC000127752242 381344726 /nfs/dbraw/zinc/34/47/26/381344726.db2.gz FOHYAAXJHXEUJQ-QMMMGPOBSA-N -1 0 322.346 -0.002 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccnc2c1nnn2C ZINC000630149242 381349189 /nfs/dbraw/zinc/34/91/89/381349189.db2.gz SJKHOCHHPYEHEO-CYBMUJFWSA-N -1 0 307.310 -0.027 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC000630165024 381351688 /nfs/dbraw/zinc/35/16/88/381351688.db2.gz MZFLJVSBRNEGRM-MNOVXSKESA-N -1 0 306.322 -0.149 20 0 DBADRM Cc1oc(C(=O)NCCOCC(=O)[O-])cc1S(C)(=O)=O ZINC000630175564 381353265 /nfs/dbraw/zinc/35/32/65/381353265.db2.gz SPPPLOFFOZMDGC-UHFFFAOYSA-N -1 0 305.308 -0.177 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000630182144 381357081 /nfs/dbraw/zinc/35/70/81/381357081.db2.gz AUKONXQIXLQQBM-YGRLFVJLSA-N -1 0 309.322 -0.012 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000630182141 381357429 /nfs/dbraw/zinc/35/74/29/381357429.db2.gz AUKONXQIXLQQBM-IINYFYTJSA-N -1 0 309.322 -0.012 20 0 DBADRM O=C(CN1CSCC1=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000630280001 381378777 /nfs/dbraw/zinc/37/87/77/381378777.db2.gz PXSZVVGAPOFAEE-NXEZZACHSA-N -1 0 316.379 -0.095 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000630202373 381363300 /nfs/dbraw/zinc/36/33/00/381363300.db2.gz XJIIPWNNJGLMMC-SNVBAGLBSA-N -1 0 313.335 -0.457 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])C1 ZINC000630207084 381365075 /nfs/dbraw/zinc/36/50/75/381365075.db2.gz ZYGZPRVJOLPHRW-AEJSXWLSSA-N -1 0 320.367 -0.984 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)C1=O ZINC000540422998 381367410 /nfs/dbraw/zinc/36/74/10/381367410.db2.gz GWZKNAKXBUODNM-MRVPVSSYSA-N -1 0 321.341 -0.764 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000630269969 381379099 /nfs/dbraw/zinc/37/90/99/381379099.db2.gz FRSWJEIHOKEAEL-UWVGGRQHSA-N -1 0 307.368 -0.193 20 0 DBADRM O=C([O-])[C@H]1c2ccoc2CCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000630235905 381369041 /nfs/dbraw/zinc/36/90/41/381369041.db2.gz BFWBHUFBJSRHMK-PSASIEDQSA-N -1 0 314.319 -0.518 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCN(c3nccnn3)CC2)O1 ZINC000630231224 381369126 /nfs/dbraw/zinc/36/91/26/381369126.db2.gz VDCPUHJIKCWAHR-VHSXEESVSA-N -1 0 307.310 -0.848 20 0 DBADRM CN(CC(=O)N1CCc2occc2[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000630236843 381369321 /nfs/dbraw/zinc/36/93/21/381369321.db2.gz RWMFNAUJPDKUHO-NSHDSACASA-N -1 0 316.335 -0.319 20 0 DBADRM CN(C)C(=O)NCCNC(=O)CNC(=O)c1ccc(O)cc1 ZINC000540952907 381372754 /nfs/dbraw/zinc/37/27/54/381372754.db2.gz HROZQAKZAFDEQU-UHFFFAOYSA-N -1 0 308.338 -0.491 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CC2(CS(C)(=O)=O)CC2)C1 ZINC000630250954 381375885 /nfs/dbraw/zinc/37/58/85/381375885.db2.gz DQCVKTAJTFQEGE-ZDUSSCGKSA-N -1 0 319.379 -0.097 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)NCCOCC(=O)[O-])cs1 ZINC000630262174 381376719 /nfs/dbraw/zinc/37/67/19/381376719.db2.gz LGDOMLGOWCGPGM-UHFFFAOYSA-N -1 0 307.349 -0.017 20 0 DBADRM CC(C)(C)N1CC[C@@H](NC(=O)Cn2cc(C(=O)[O-])nn2)C1=O ZINC000630262156 381376923 /nfs/dbraw/zinc/37/69/23/381376923.db2.gz KIPRBQJNWPCTIX-MRVPVSSYSA-N -1 0 309.326 -0.508 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC000630254236 381377267 /nfs/dbraw/zinc/37/72/67/381377267.db2.gz ORGZBKHVUNXEPC-JOYOIKCWSA-N -1 0 305.352 -0.344 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC000630258986 381377650 /nfs/dbraw/zinc/37/76/50/381377650.db2.gz KYPKCSIBHPESIE-BBBLOLIVSA-N -1 0 320.367 -0.889 20 0 DBADRM Cc1csc2ncc(C(=O)NCCOCC(=O)[O-])c(=O)n12 ZINC000630262677 381377823 /nfs/dbraw/zinc/37/78/23/381377823.db2.gz OOGIYZHLXOBPQA-UHFFFAOYSA-N -1 0 311.319 -0.105 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000630442211 381417516 /nfs/dbraw/zinc/41/75/16/381417516.db2.gz WQGYHQLYSCOFQB-NSHDSACASA-N -1 0 316.379 -0.124 20 0 DBADRM O=C(NCCCN1C(=O)CNC1=O)c1cccc2n[nH]nc21 ZINC000543749661 381413996 /nfs/dbraw/zinc/41/39/96/381413996.db2.gz LOOVOBVUNAIZFY-UHFFFAOYSA-N -1 0 302.294 -0.370 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000630269970 381380067 /nfs/dbraw/zinc/38/00/67/381380067.db2.gz FRSWJEIHOKEAEL-VHSXEESVSA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C[C@@]1(C)C(=O)[O-] ZINC000630306944 381383509 /nfs/dbraw/zinc/38/35/09/381383509.db2.gz RJZGQGYXRMFAJN-GBIKHYSHSA-N -1 0 318.395 -0.020 20 0 DBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000630302129 381383916 /nfs/dbraw/zinc/38/39/16/381383916.db2.gz AGEBIYPCPBRQEU-ZJUUUORDSA-N -1 0 319.383 -0.952 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@](C)(C(=O)[O-])C1 ZINC000630309481 381385823 /nfs/dbraw/zinc/38/58/23/381385823.db2.gz FOYVILAMGDVFHU-AUTRQRHGSA-N -1 0 320.367 -0.889 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@@](C)(C(=O)[O-])C1 ZINC000630309487 381385894 /nfs/dbraw/zinc/38/58/94/381385894.db2.gz FOYVILAMGDVFHU-YGOYTEALSA-N -1 0 320.367 -0.889 20 0 DBADRM CCn1nc(C(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)[O-])ccc1=O ZINC000630310394 381386503 /nfs/dbraw/zinc/38/65/03/381386503.db2.gz NPGHAQKFWJLWJZ-XPTSAGLGSA-N -1 0 309.322 -0.033 20 0 DBADRM CCn1nc(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)ccc1=O ZINC000630335335 381389751 /nfs/dbraw/zinc/38/97/51/381389751.db2.gz IHQCMTCTVMCIRJ-CQSZACIVSA-N -1 0 309.322 -0.126 20 0 DBADRM NC(=O)c1ccc(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)nc1 ZINC000630336414 381390256 /nfs/dbraw/zinc/39/02/56/381390256.db2.gz PKGQUJVFWGRQRA-AWEZNQCLSA-N -1 0 307.306 -0.208 20 0 DBADRM CS(=O)(=O)C1(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)CCC1 ZINC000630339166 381390307 /nfs/dbraw/zinc/39/03/07/381390307.db2.gz KGFUBMWPCPKZPW-LBPRGKRZSA-N -1 0 319.379 -0.049 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1=O ZINC000630443272 381416302 /nfs/dbraw/zinc/41/63/02/381416302.db2.gz UAQVFTWRAYDJTB-ZJUUUORDSA-N -1 0 304.368 -0.266 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H](C)c1cnn(C)c1)[C@@H](C)C(=O)[O-] ZINC000543752371 381416314 /nfs/dbraw/zinc/41/63/14/381416314.db2.gz SYHYHOWTDCHGGY-UWVGGRQHSA-N -1 0 310.354 -0.039 20 0 DBADRM C[C@H](C(=O)NC1(c2nnn[n-]2)CCCC1)N1CCN(C)CC1 ZINC000542599914 381396504 /nfs/dbraw/zinc/39/65/04/381396504.db2.gz AAWAOTJXPXRYFT-LLVKDONJSA-N -1 0 307.402 -0.279 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2cnn(C)c2)CC[C@@H]1C(=O)[O-] ZINC000627268184 381422723 /nfs/dbraw/zinc/42/27/23/381422723.db2.gz YNQJXTBXANJBMX-KOLCDFICSA-N -1 0 308.338 -0.395 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000627269104 381443769 /nfs/dbraw/zinc/44/37/69/381443769.db2.gz MYZNRQKOQUDVML-PWSUYJOCSA-N -1 0 322.365 -0.123 20 0 DBADRM C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000630574726 381446341 /nfs/dbraw/zinc/44/63/41/381446341.db2.gz SHBLCTKOIFFCPE-KBPBESRZSA-N -1 0 321.377 -0.242 20 0 DBADRM Cn1c(CNC(=O)c2cnc([O-])n(C)c2=O)nnc1C1CCC1 ZINC000545895713 381446715 /nfs/dbraw/zinc/44/67/15/381446715.db2.gz NEJKCPJBYPWLDB-UHFFFAOYSA-N -1 0 318.337 -0.188 20 0 DBADRM CSc1nc(=NC(=O)NCCN2CCNC(=O)C2)s[n-]1 ZINC000543764294 381417691 /nfs/dbraw/zinc/41/76/91/381417691.db2.gz SXJMNUZNFBLFGN-UHFFFAOYSA-N -1 0 316.412 -0.765 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000630445955 381419027 /nfs/dbraw/zinc/41/90/27/381419027.db2.gz NBKGOOVSJCDXSC-ZJUUUORDSA-N -1 0 304.368 -0.126 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])CC1=O ZINC000630445740 381419399 /nfs/dbraw/zinc/41/93/99/381419399.db2.gz FEVPSEVLGJMVBS-BXKDBHETSA-N -1 0 304.368 -0.124 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000630445953 381419964 /nfs/dbraw/zinc/41/99/64/381419964.db2.gz NBKGOOVSJCDXSC-UWVGGRQHSA-N -1 0 304.368 -0.126 20 0 DBADRM COCCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])N1c1cnn(C)c1 ZINC000630650783 381471205 /nfs/dbraw/zinc/47/12/05/381471205.db2.gz QBRBFSRWFDSTHV-NWDGAFQWSA-N -1 0 310.354 -0.005 20 0 DBADRM O=C([C@H]1CCCCS1(=O)=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000547485436 381479748 /nfs/dbraw/zinc/47/97/48/381479748.db2.gz CPSBRNYAJXRWJP-NXEZZACHSA-N -1 0 313.383 -0.127 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000547553263 381485493 /nfs/dbraw/zinc/48/54/93/381485493.db2.gz BNHGSFDLDJQCKW-JTQLQIEISA-N -1 0 313.339 -0.259 20 0 DBADRM Cc1cc(C)n(C[C@@H](NS(=O)(=O)N2CCCC2)C(=O)[O-])n1 ZINC000547553000 381485519 /nfs/dbraw/zinc/48/55/19/381485519.db2.gz MNLQHPVHTZLRIB-LLVKDONJSA-N -1 0 316.383 -0.117 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000547558649 381484406 /nfs/dbraw/zinc/48/44/06/381484406.db2.gz XKHQJLVDVZTIDP-ZCFIWIBFSA-N -1 0 324.698 -0.028 20 0 DBADRM COCCOCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547555240 381484428 /nfs/dbraw/zinc/48/44/28/381484428.db2.gz HNEOFHIMNWFQDF-ZJUUUORDSA-N -1 0 311.356 -0.942 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000547546854 381484681 /nfs/dbraw/zinc/48/46/81/381484681.db2.gz AVZBLNHSQXWMKZ-WCBMZHEXSA-N -1 0 302.356 -0.276 20 0 DBADRM CCCN(C)S(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000547558994 381484797 /nfs/dbraw/zinc/48/47/97/381484797.db2.gz SIIXTJVYDCLSAM-JTQLQIEISA-N -1 0 304.372 -0.179 20 0 DBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1cccs1 ZINC000547928974 381503732 /nfs/dbraw/zinc/50/37/32/381503732.db2.gz LHKCWLPSADCFMU-IWEMQMMOSA-N -1 0 309.390 -0.046 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)n(C)c1 ZINC000547910920 381503983 /nfs/dbraw/zinc/50/39/83/381503983.db2.gz GMSGKYMPFLXOPJ-UHFFFAOYSA-N -1 0 304.324 -0.093 20 0 DBADRM CCCSC[C@@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000547910750 381504185 /nfs/dbraw/zinc/50/41/85/381504185.db2.gz SDQNEYYKGJXOHY-SECBINFHSA-N -1 0 312.413 -0.251 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000548201446 381520300 /nfs/dbraw/zinc/52/03/00/381520300.db2.gz QAHQWVSZLVAKIZ-VIFPVBQESA-N -1 0 313.339 -0.400 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)OC)co1 ZINC000547916015 381504530 /nfs/dbraw/zinc/50/45/30/381504530.db2.gz MGWLAHNSTDWIIV-QMMMGPOBSA-N -1 0 321.307 -0.214 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](C)CCC(=O)[O-] ZINC000547935732 381504576 /nfs/dbraw/zinc/50/45/76/381504576.db2.gz AFFSBAOKAMYXGB-JTQLQIEISA-N -1 0 312.388 -0.331 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(C(=O)N3CCOCC3)C2)C1 ZINC000547925387 381504946 /nfs/dbraw/zinc/50/49/46/381504946.db2.gz WGDVMHOMEYFEGE-GHMZBOCLSA-N -1 0 311.338 -0.554 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N(CCOC)[C@H](C)C(=O)[O-] ZINC000547916195 381504991 /nfs/dbraw/zinc/50/49/91/381504991.db2.gz RWEIXOSRRUIFDV-SECBINFHSA-N -1 0 311.356 -0.309 20 0 DBADRM CC[C@H](CNS(=O)(=O)CCCS(C)(=O)=O)CC(=O)[O-] ZINC000547938557 381506523 /nfs/dbraw/zinc/50/65/23/381506523.db2.gz BLWNQIBHWNHTPW-VIFPVBQESA-N -1 0 315.413 -0.159 20 0 DBADRM CCc1ncc(S(=O)(=O)NCC(=O)NCC(=O)[O-])s1 ZINC000548197441 381516744 /nfs/dbraw/zinc/51/67/44/381516744.db2.gz ZCXNKDOXIKEQID-UHFFFAOYSA-N -1 0 307.353 -0.815 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN(C(=O)C2CC2)CC1 ZINC000548196409 381518331 /nfs/dbraw/zinc/51/83/31/381518331.db2.gz BPOXCKMECUNIOT-UHFFFAOYSA-N -1 0 311.367 -0.317 20 0 DBADRM CCn1cnc(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])c1 ZINC000548236791 381521199 /nfs/dbraw/zinc/52/11/99/381521199.db2.gz LNSOSSCKUWRMES-SECBINFHSA-N -1 0 305.356 -0.251 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)c1cnc2n1CCC2)[C@H]1CCOC1 ZINC000548201662 381519228 /nfs/dbraw/zinc/51/92/28/381519228.db2.gz WCUDQPTXFTWTMX-GZMMTYOYSA-N -1 0 315.351 -0.403 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC000547577327 381486507 /nfs/dbraw/zinc/48/65/07/381486507.db2.gz YYQCAMOLRYXJCA-LURJTMIESA-N -1 0 307.280 -0.556 20 0 DBADRM CCn1cc(S(=O)(=O)N2CC(C(=O)[O-])C2)c([N+](=O)[O-])n1 ZINC000547563796 381486524 /nfs/dbraw/zinc/48/65/24/381486524.db2.gz VBRSCIWGNOKCEN-UHFFFAOYSA-N -1 0 304.284 -0.484 20 0 DBADRM Cn1cc(C[C@H](CNS(=O)(=O)NC2CC2)C(=O)[O-])cn1 ZINC000547563356 381486676 /nfs/dbraw/zinc/48/66/76/381486676.db2.gz YJKIMJADPQAINM-SECBINFHSA-N -1 0 302.356 -0.750 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](COC)C(=O)[O-])o1 ZINC000547561935 381486696 /nfs/dbraw/zinc/48/66/96/381486696.db2.gz KPEZSJNUOMIBJW-ZETCQYMHSA-N -1 0 321.307 -0.166 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(=O)[O-] ZINC000547574253 381486888 /nfs/dbraw/zinc/48/68/88/381486888.db2.gz BVOSQOGTPCACBI-VHSXEESVSA-N -1 0 323.367 -0.119 20 0 DBADRM CCc1oc(C(=O)OC)cc1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000547572083 381486901 /nfs/dbraw/zinc/48/69/01/381486901.db2.gz FYWVDWRHKSMEMI-LURJTMIESA-N -1 0 321.307 -0.648 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](C)CCCC(=O)[O-] ZINC000547574585 381486914 /nfs/dbraw/zinc/48/69/14/381486914.db2.gz HPXKUBZTKUFMSJ-SECBINFHSA-N -1 0 310.372 -0.041 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C1CC1 ZINC000547572423 381486951 /nfs/dbraw/zinc/48/69/51/381486951.db2.gz LRDARIBILHJTQX-LLVKDONJSA-N -1 0 323.334 -0.196 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000547601443 381488303 /nfs/dbraw/zinc/48/83/03/381488303.db2.gz JBDQGJXTWHZKML-SECBINFHSA-N -1 0 303.340 -0.062 20 0 DBADRM CCCCCS(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000547606834 381488511 /nfs/dbraw/zinc/48/85/11/381488511.db2.gz HEFCPBVHLOVTRB-VIFPVBQESA-N -1 0 313.397 -0.310 20 0 DBADRM CC(C)OCCS(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000548225795 381519744 /nfs/dbraw/zinc/51/97/44/381519744.db2.gz YBYJMUBHRUYUJO-JTQLQIEISA-N -1 0 322.383 -0.736 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])cn1C ZINC000548203224 381519795 /nfs/dbraw/zinc/51/97/95/381519795.db2.gz QQNRYBOQRHITRK-NXEZZACHSA-N -1 0 317.367 -0.113 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548201722 381519954 /nfs/dbraw/zinc/51/99/54/381519954.db2.gz SBTXTHGHVRLBLN-VHSXEESVSA-N -1 0 310.372 -0.721 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547876648 381499946 /nfs/dbraw/zinc/49/99/46/381499946.db2.gz OENWGXMIKKBKPE-IUCAKERBSA-N -1 0 303.340 -0.205 20 0 DBADRM COC(=O)CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547876267 381500160 /nfs/dbraw/zinc/50/01/60/381500160.db2.gz YQZBYDPJHQVFKI-PSASIEDQSA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000547880420 381501416 /nfs/dbraw/zinc/50/14/16/381501416.db2.gz KFABLQHWTSKFGW-KATARQTJSA-N -1 0 323.367 -0.528 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)N1CCOC(C)(C)C1 ZINC000547905436 381502127 /nfs/dbraw/zinc/50/21/27/381502127.db2.gz SIHJFZHXLORJTR-UHFFFAOYSA-N -1 0 310.372 -0.625 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000547880421 381502399 /nfs/dbraw/zinc/50/23/99/381502399.db2.gz KFABLQHWTSKFGW-KYXWUPHJSA-N -1 0 323.367 -0.528 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547879140 381502447 /nfs/dbraw/zinc/50/24/47/381502447.db2.gz GLAFSXMPQZKWHA-PSASIEDQSA-N -1 0 303.340 -0.329 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)c1cncc(F)c1)[C@@H]1CCOC1 ZINC000547882920 381502651 /nfs/dbraw/zinc/50/26/51/381502651.db2.gz YEPVOOOEWRPJGE-XCBNKYQSSA-N -1 0 304.299 -0.011 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000548556959 381536944 /nfs/dbraw/zinc/53/69/44/381536944.db2.gz QZTWDBABBUFFOH-SNVBAGLBSA-N -1 0 310.372 -0.721 20 0 DBADRM Cc1ccccc1CS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000548536021 381537570 /nfs/dbraw/zinc/53/75/70/381537570.db2.gz BVIVFJPAIXDPAZ-SNVBAGLBSA-N -1 0 300.336 -0.257 20 0 DBADRM COCCn1cc(S(=O)(=O)NCC(C)(C)C(=O)[O-])cn1 ZINC000548556001 381537967 /nfs/dbraw/zinc/53/79/67/381537967.db2.gz KGKKZEIVYHVHBE-UHFFFAOYSA-N -1 0 305.356 -0.081 20 0 DBADRM CCCS(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000548573007 381539143 /nfs/dbraw/zinc/53/91/43/381539143.db2.gz CWXUFSNDVWIAFK-ZJUUUORDSA-N -1 0 304.368 -0.266 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)CCCF)C2)C1 ZINC000548575872 381539601 /nfs/dbraw/zinc/53/96/01/381539601.db2.gz KNVOQWXVDSHIKI-UWVGGRQHSA-N -1 0 322.358 -0.317 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000548570480 381539770 /nfs/dbraw/zinc/53/97/70/381539770.db2.gz ZIJGMUIKPXFPOC-PHIMTYICSA-N -1 0 324.399 -0.237 20 0 DBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)C[C@H]1CCCO1 ZINC000548580819 381539885 /nfs/dbraw/zinc/53/98/85/381539885.db2.gz DMWWFQNLLVIFOJ-BBBLOLIVSA-N -1 0 320.367 -0.854 20 0 DBADRM CC(C)CS(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000548586442 381540926 /nfs/dbraw/zinc/54/09/26/381540926.db2.gz VNRTZHCKISDRRD-WDEREUQCSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])C1 ZINC000548586603 381541081 /nfs/dbraw/zinc/54/10/81/381541081.db2.gz XIQAFLXUGVDFKR-HQVAUKCESA-N -1 0 324.424 -0.519 20 0 DBADRM O=C(NCc1ccccc1CN1CCOCC1)c1n[nH]c(=O)[n-]1 ZINC000080210878 381547614 /nfs/dbraw/zinc/54/76/14/381547614.db2.gz VVRZILMDORZHPQ-UHFFFAOYSA-N -1 0 317.349 -0.140 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC2(C(=O)[O-])CC2)cn1C ZINC000548837041 381551297 /nfs/dbraw/zinc/55/12/97/381551297.db2.gz MKRUAZZFFIMCLX-UHFFFAOYSA-N -1 0 302.308 -0.293 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-] ZINC000548250199 381521734 /nfs/dbraw/zinc/52/17/34/381521734.db2.gz WWCMWRBPCMVVKY-SCZZXKLOSA-N -1 0 308.356 -0.479 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N(CCO)CC(=O)[O-])CC1 ZINC000548242086 381521822 /nfs/dbraw/zinc/52/18/22/381521822.db2.gz VNAOWBJSLDERHM-UHFFFAOYSA-N -1 0 309.340 -0.962 20 0 DBADRM CCN(CC)C(=O)N1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC000630722498 381551956 /nfs/dbraw/zinc/55/19/56/381551956.db2.gz DELBWFHVUOBTGY-UHFFFAOYSA-N -1 0 309.374 -0.262 20 0 DBADRM Cn1cnc2cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])ccc21 ZINC000548525268 381535968 /nfs/dbraw/zinc/53/59/68/381535968.db2.gz QZAWMOPUIWPQJG-NSHDSACASA-N -1 0 313.335 -0.313 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000548535297 381536342 /nfs/dbraw/zinc/53/63/42/381536342.db2.gz ZCPGEUUVKBGZEU-SNVBAGLBSA-N -1 0 302.356 -0.278 20 0 DBADRM O=C(NC1=NCC(=O)N1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550685797 381573540 /nfs/dbraw/zinc/57/35/40/381573540.db2.gz AUHSVVJDTAUXNW-UHFFFAOYSA-N -1 0 303.253 -0.067 20 0 DBADRM COCCN(C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)[O-] ZINC000551238996 381578409 /nfs/dbraw/zinc/57/84/09/381578409.db2.gz XRHWTQXPCAAAAF-UWVGGRQHSA-N -1 0 322.383 -0.353 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)C(=O)N(C)C ZINC000627273715 381554806 /nfs/dbraw/zinc/55/48/06/381554806.db2.gz JVDCCSMNRFJNRE-GUBZILKMSA-N -1 0 313.354 -0.852 20 0 DBADRM C[C@H](O)CN1CCN(S(=O)(=O)[N-]CC(F)(F)F)C[C@H]1C ZINC000249636009 381603101 /nfs/dbraw/zinc/60/31/01/381603101.db2.gz WOCLHDCOQJQYBX-BDAKNGLRSA-N -1 0 319.349 -0.230 20 0 DBADRM O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC000089961896 381606978 /nfs/dbraw/zinc/60/69/78/381606978.db2.gz PIBUODYMOMCGBU-NEPJUHHUSA-N -1 0 317.349 -0.537 20 0 DBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccsc1 ZINC000551913365 381592967 /nfs/dbraw/zinc/59/29/67/381592967.db2.gz BPXRGOFSWGGXMP-RBHXEPJQSA-N -1 0 309.390 -0.046 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C)CC(=O)[O-] ZINC000252431665 381612914 /nfs/dbraw/zinc/61/29/14/381612914.db2.gz NOGAUBZYBPZROL-BDAKNGLRSA-N -1 0 308.356 -0.289 20 0 DBADRM CC(CO)(CO)CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000615300551 381615870 /nfs/dbraw/zinc/61/58/70/381615870.db2.gz CTJLVCWKKOADOH-UHFFFAOYSA-N -1 0 307.306 -0.249 20 0 DBADRM O=S(=O)(CCCS(=O)(=O)N1CCCO1)Nc1c[nH]cn1 ZINC000566488119 381658671 /nfs/dbraw/zinc/65/86/71/381658671.db2.gz OZXHWWMGZPYOSV-UHFFFAOYSA-N -1 0 324.384 -0.491 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)C2CC2)C1=O ZINC000566551130 381663467 /nfs/dbraw/zinc/66/34/67/381663467.db2.gz AMNOLELRIFCSPS-NXEZZACHSA-N -1 0 304.368 -0.222 20 0 DBADRM CCO[C@@H]1C[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H]1OC ZINC000567794416 381714646 /nfs/dbraw/zinc/71/46/46/381714646.db2.gz XAWUIJGJVUTPLD-DJLDLDEBSA-N -1 0 319.339 -0.421 20 0 DBADRM COc1cncc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000566970805 381675398 /nfs/dbraw/zinc/67/53/98/381675398.db2.gz AZHGELVKRSEKRY-JTQLQIEISA-N -1 0 302.308 -0.436 20 0 DBADRM Cc1nc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)no1 ZINC000567235293 381686519 /nfs/dbraw/zinc/68/65/19/381686519.db2.gz DIFOJCLOVVFOHI-CBAPKCEASA-N -1 0 310.310 -0.437 20 0 DBADRM Cc1c(C(=O)NCCC(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000567238787 381687251 /nfs/dbraw/zinc/68/72/51/381687251.db2.gz WRPNKFJAOKYNFB-UHFFFAOYSA-N -1 0 320.305 -0.855 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCO1 ZINC000615362151 381696132 /nfs/dbraw/zinc/69/61/32/381696132.db2.gz CLDDKGMESNGMGI-MRVPVSSYSA-N -1 0 300.336 -0.100 20 0 DBADRM Cc1ccncc1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000568002299 381729491 /nfs/dbraw/zinc/72/94/91/381729491.db2.gz YCGGBPYBFOSFQU-QMMMGPOBSA-N -1 0 301.324 -0.613 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1cccc2cnccc21)C(=O)[O-] ZINC000314277131 381730714 /nfs/dbraw/zinc/73/07/14/381730714.db2.gz JMSSUFOTKDWYKT-JTQLQIEISA-N -1 0 323.330 -0.158 20 0 DBADRM CO[C@H]1C[C@H](C(=O)[O-])N(Cc2nnn(CC(F)(F)F)n2)C1 ZINC000568067480 381734764 /nfs/dbraw/zinc/73/47/64/381734764.db2.gz WMSZHVJFFSLOOI-NKWVEPMBSA-N -1 0 309.248 -0.091 20 0 DBADRM CC(=O)NCCN(C(=O)Cc1ccc(N)cn1)[C@H](C)C(=O)[O-] ZINC000568097300 381735665 /nfs/dbraw/zinc/73/56/65/381735665.db2.gz YEVQDFPVWIATQC-SECBINFHSA-N -1 0 308.338 -0.356 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1)C(=O)[O-] ZINC000158609676 381746977 /nfs/dbraw/zinc/74/69/77/381746977.db2.gz WARKNVWTXVENLI-JTQLQIEISA-N -1 0 317.319 -0.149 20 0 DBADRM COC[C@@H](NS(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-] ZINC000158594985 381747912 /nfs/dbraw/zinc/74/79/12/381747912.db2.gz JFQDOZHCKHFWLO-GFCCVEGCSA-N -1 0 314.363 -0.021 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000568268898 381751760 /nfs/dbraw/zinc/75/17/60/381751760.db2.gz NJFMKDNWIGNSAD-MRVPVSSYSA-N -1 0 315.351 -0.123 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000567844672 381718507 /nfs/dbraw/zinc/71/85/07/381718507.db2.gz XVKSPIYNXFQFNP-SNVBAGLBSA-N -1 0 314.363 -0.057 20 0 DBADRM CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCS(C)(=O)=O)C1 ZINC000063142783 184273817 /nfs/dbraw/zinc/27/38/17/184273817.db2.gz VHCQOXGYYPNHMG-JTQLQIEISA-N -1 0 313.397 -0.453 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(C)CCC(=O)[O-])cn1 ZINC000567863429 381720754 /nfs/dbraw/zinc/72/07/54/381720754.db2.gz OXLLYTZHHFYMGB-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000567866285 381720929 /nfs/dbraw/zinc/72/09/29/381720929.db2.gz SFACXTVXAAPTAD-UWVGGRQHSA-N -1 0 313.354 -0.850 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCc2cnccn2)C[C@H]1C(=O)[O-] ZINC000567886773 381723183 /nfs/dbraw/zinc/72/31/83/381723183.db2.gz WJVXGVISBCBZFN-CMPLNLGQSA-N -1 0 320.349 -0.296 20 0 DBADRM C[C@@H](C(=O)NCc1ccccc1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000569007857 381783900 /nfs/dbraw/zinc/78/39/00/381783900.db2.gz JUDSRBPHUYZDIM-LBPRGKRZSA-N -1 0 319.361 -0.080 20 0 DBADRM CS(=O)(=O)CCCNS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000568997303 381783969 /nfs/dbraw/zinc/78/39/69/381783969.db2.gz KMCNWFFSXLNOAD-UHFFFAOYSA-N -1 0 311.337 -0.309 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000569063101 381785447 /nfs/dbraw/zinc/78/54/47/381785447.db2.gz PQTRTKNNQSSTBL-VIFPVBQESA-N -1 0 313.397 -0.310 20 0 DBADRM CN(C)c1cccc(S(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000569181288 381789740 /nfs/dbraw/zinc/78/97/40/381789740.db2.gz BOKKXKMAEMYRFF-UHFFFAOYSA-N -1 0 302.352 -0.180 20 0 DBADRM CCN(CCCNC(=O)N(CC(=O)[O-])C1CC1)S(C)(=O)=O ZINC000572791837 381800567 /nfs/dbraw/zinc/80/05/67/381800567.db2.gz HWVMLXXYLYHPPR-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM CCS(=O)(=O)N1CC(CNC(=O)NCCCC(=O)[O-])C1 ZINC000569219953 381791697 /nfs/dbraw/zinc/79/16/97/381791697.db2.gz BSCWORMXDKMMOU-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM O=C(NC[C@H]1CS(=O)(=O)c2ccccc2O1)c1cn[nH]n1 ZINC000569223714 381792390 /nfs/dbraw/zinc/79/23/90/381792390.db2.gz BFIXHPAEBNDVEK-QMMMGPOBSA-N -1 0 308.319 -0.231 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)CC2(O)CCC2)C[C@@H]1C(=O)[O-] ZINC000568391646 381760296 /nfs/dbraw/zinc/76/02/96/381760296.db2.gz IAJZHNWJIIJZRF-QWRGUYRKSA-N -1 0 312.366 -0.071 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccn(C)n2)C1 ZINC000568507175 381762329 /nfs/dbraw/zinc/76/23/29/381762329.db2.gz LBFHVMXQVUMKQI-LLVKDONJSA-N -1 0 303.340 -0.468 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@@H](CCO)C(=O)[O-])CCCC1 ZINC000568573460 381765237 /nfs/dbraw/zinc/76/52/37/381765237.db2.gz HSSFUEFHAMPEHA-VIFPVBQESA-N -1 0 323.367 -0.525 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)cn1C ZINC000568741495 381772283 /nfs/dbraw/zinc/77/22/83/381772283.db2.gz VVTOEKCECPIDQX-LLVKDONJSA-N -1 0 303.340 -0.359 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000299945005 381826104 /nfs/dbraw/zinc/82/61/04/381826104.db2.gz PHRXEFISDXELPW-GUBZILKMSA-N -1 0 319.383 -0.570 20 0 DBADRM COCc1ccccc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000573628986 381834635 /nfs/dbraw/zinc/83/46/35/381834635.db2.gz XJTSGEJYEQJANI-VIFPVBQESA-N -1 0 316.335 -0.560 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cn(C)nc2C)C1 ZINC000573677266 381837175 /nfs/dbraw/zinc/83/71/75/381837175.db2.gz VPIJYQWLFPPOQM-GFCCVEGCSA-N -1 0 317.367 -0.160 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@](C)(O)C2)C[C@@H]1C(=O)[O-] ZINC000573683904 381837229 /nfs/dbraw/zinc/83/72/29/381837229.db2.gz MPYMKEWNHKIHIA-ZETOZRRWSA-N -1 0 312.366 -0.071 20 0 DBADRM NC(=O)c1cccnc1N1CCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC000573947133 381845464 /nfs/dbraw/zinc/84/54/64/381845464.db2.gz OOISPPXZEYDQSJ-UHFFFAOYSA-N -1 0 318.333 -0.306 20 0 DBADRM CC[C@H](NC(=O)CSCC(=O)[O-])C(=O)N1CCOCC1 ZINC000573003850 381809543 /nfs/dbraw/zinc/80/95/43/381809543.db2.gz CGAKANAJKIDFTM-VIFPVBQESA-N -1 0 304.368 -0.442 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)[C@@H]1CO ZINC000574799930 381877914 /nfs/dbraw/zinc/87/79/14/381877914.db2.gz ZAOCVOGAMVNQJR-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])cn1 ZINC000574814661 381878714 /nfs/dbraw/zinc/87/87/14/381878714.db2.gz SQPOWXNWGQENQU-VIFPVBQESA-N -1 0 318.307 -0.754 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])cn1 ZINC000574814660 381878791 /nfs/dbraw/zinc/87/87/91/381878791.db2.gz SQPOWXNWGQENQU-SECBINFHSA-N -1 0 318.307 -0.754 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000574044615 381849722 /nfs/dbraw/zinc/84/97/22/381849722.db2.gz IPVDOEQEWAZUQH-UHFFFAOYSA-N -1 0 321.380 -0.886 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NC)cc1)C(=O)[O-] ZINC000574205051 381855732 /nfs/dbraw/zinc/85/57/32/381855732.db2.gz RKKHVDIFTLOKPM-SNVBAGLBSA-N -1 0 307.306 -0.036 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)N1CCCCC1)C(=O)[O-] ZINC000168811798 381856633 /nfs/dbraw/zinc/85/66/33/381856633.db2.gz JPSNJYLUUBIDDQ-VIFPVBQESA-N -1 0 308.356 -0.287 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2ncccc2S(N)(=O)=O)C1 ZINC000574403572 381862312 /nfs/dbraw/zinc/86/23/12/381862312.db2.gz HDCDQDBYWQPROQ-GFCCVEGCSA-N -1 0 315.351 -0.344 20 0 DBADRM CC[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000574574001 381869924 /nfs/dbraw/zinc/86/99/24/381869924.db2.gz KQCGYQJLHBQLQH-VIFPVBQESA-N -1 0 322.321 -0.458 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C(=O)[O-] ZINC000574545826 381870002 /nfs/dbraw/zinc/87/00/02/381870002.db2.gz XSGGIRRNHAXGKP-RNSXUZJQSA-N -1 0 317.367 -0.107 20 0 DBADRM CO[C@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2cn(C)cn2)C1 ZINC000574635926 381872309 /nfs/dbraw/zinc/87/23/09/381872309.db2.gz XAKNCIQVRYZAFT-IUCAKERBSA-N -1 0 303.340 -0.327 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)NC[C@H](OC)C(=O)[O-])CC1 ZINC000575852232 381901510 /nfs/dbraw/zinc/90/15/10/381901510.db2.gz WOXIYLOKHJWYGI-QMMMGPOBSA-N -1 0 309.340 -0.651 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(C)cnn2C)C1 ZINC000576030224 381909073 /nfs/dbraw/zinc/90/90/73/381909073.db2.gz RQMXFHVUBLSOQO-LBPRGKRZSA-N -1 0 317.367 -0.160 20 0 DBADRM CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)C(=O)NCCCC(=O)[O-] ZINC000576279873 381918547 /nfs/dbraw/zinc/91/85/47/381918547.db2.gz JHBJRFFGQZBUFC-JTQLQIEISA-N -1 0 313.354 -0.517 20 0 DBADRM CCO[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])[C@@H]1OC ZINC000576343788 381920327 /nfs/dbraw/zinc/92/03/27/381920327.db2.gz HNVIYYQJGWTSKK-MMWGEVLESA-N -1 0 322.383 -0.438 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000575321311 381891540 /nfs/dbraw/zinc/89/15/40/381891540.db2.gz WXOAEBYAMXXNRA-IUCAKERBSA-N -1 0 322.383 -0.608 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000575312636 381891714 /nfs/dbraw/zinc/89/17/14/381891714.db2.gz ZIVWQHMLCUJDPZ-PSASIEDQSA-N -1 0 324.337 -0.394 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)c1cnc(C(=O)[O-])cn1 ZINC000577370679 381959185 /nfs/dbraw/zinc/95/91/85/381959185.db2.gz GVLRWYSGMAXSEC-UHFFFAOYSA-N -1 0 310.310 -0.648 20 0 DBADRM CCCN(C(=O)NCCNS(C)(=O)=O)[C@@H](CC)C(=O)[O-] ZINC000577696716 381970760 /nfs/dbraw/zinc/97/07/60/381970760.db2.gz JQLALJYPQRGGNM-VIFPVBQESA-N -1 0 309.388 -0.180 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CCO)C[C@H]1C(=O)[O-] ZINC000576876243 381939078 /nfs/dbraw/zinc/93/90/78/381939078.db2.gz RIRXXTPVNGVTLA-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CCO1 ZINC000578129749 381995538 /nfs/dbraw/zinc/99/55/38/381995538.db2.gz ABOXARPQBNPMNT-GHMZBOCLSA-N -1 0 322.383 -0.625 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000578132147 381995550 /nfs/dbraw/zinc/99/55/50/381995550.db2.gz PLNMAMDVDLSNSK-ZJUUUORDSA-N -1 0 306.384 -0.259 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C(=O)[O-])c[nH]1 ZINC000578132819 381998709 /nfs/dbraw/zinc/99/87/09/381998709.db2.gz ZCBRKKFRKLMOEL-MHYGZLNHSA-N -1 0 303.340 -0.031 20 0 DBADRM Cc1ccc(-n2[n-]nnc2=N[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000578240727 382005776 /nfs/dbraw/zinc/00/57/76/382005776.db2.gz FFCFHPUJXNVZRR-NSHDSACASA-N -1 0 322.394 -0.162 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[S@](=O)C2)C[C@@H]1C(=O)[O-] ZINC000578237130 382006504 /nfs/dbraw/zinc/00/65/04/382006504.db2.gz APUNYEXSFQYWCY-SQSQXLIZSA-N -1 0 316.379 -0.807 20 0 DBADRM CNC(=O)[C@@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CCO1 ZINC000180587922 382011297 /nfs/dbraw/zinc/01/12/97/382011297.db2.gz ONDNUUXLDDGGBW-ZDUSSCGKSA-N -1 0 317.349 -0.080 20 0 DBADRM COC(C)(C)CS(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000578366279 382013226 /nfs/dbraw/zinc/01/32/26/382013226.db2.gz UXICKLWCPMIOQT-SECBINFHSA-N -1 0 322.383 -0.736 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000578981860 382043170 /nfs/dbraw/zinc/04/31/70/382043170.db2.gz SPBAKDFZDVLFQU-GUBZILKMSA-N -1 0 320.367 -0.289 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000579142575 382052281 /nfs/dbraw/zinc/05/22/81/382052281.db2.gz FFPNYPXIOKBVKJ-KYZUINATSA-N -1 0 304.306 -0.147 20 0 DBADRM C[C@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC000579231340 382056369 /nfs/dbraw/zinc/05/63/69/382056369.db2.gz BCLPSXAGJWIZIP-VHSXEESVSA-N -1 0 311.338 -0.112 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000578626494 382024843 /nfs/dbraw/zinc/02/48/43/382024843.db2.gz RPKOPDISIKCPNQ-KCJUWKMLSA-N -1 0 319.317 -0.036 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cccc2c1OCC2)C(=O)[O-] ZINC000578636662 382025586 /nfs/dbraw/zinc/02/55/86/382025586.db2.gz KXQXIEAEUNKVJT-VIFPVBQESA-N -1 0 301.320 -0.001 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cnn1C ZINC000578652735 382027978 /nfs/dbraw/zinc/02/79/78/382027978.db2.gz WVZICXDBLKXTQS-BXKDBHETSA-N -1 0 322.365 -0.086 20 0 DBADRM CC(C)(C)OCC[C@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000578646995 382028061 /nfs/dbraw/zinc/02/80/61/382028061.db2.gz WDYOMIJMECVUTF-JTQLQIEISA-N -1 0 324.399 -0.189 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000579964298 382103785 /nfs/dbraw/zinc/10/37/85/382103785.db2.gz BMFIHILWAJIGEZ-GUBZILKMSA-N -1 0 320.367 -0.984 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000579964297 382104495 /nfs/dbraw/zinc/10/44/95/382104495.db2.gz BMFIHILWAJIGEZ-AEJSXWLSSA-N -1 0 320.367 -0.984 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c2=O ZINC000579980019 382105153 /nfs/dbraw/zinc/10/51/53/382105153.db2.gz HPWNDSLPJICFKC-ZKCHVHJHSA-N -1 0 305.294 -0.891 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000580892659 382119293 /nfs/dbraw/zinc/11/92/93/382119293.db2.gz LVXQLRBSRLDJFB-SNVBAGLBSA-N -1 0 307.354 -0.088 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC000579597966 382078112 /nfs/dbraw/zinc/07/81/12/382078112.db2.gz LNXOLFLNZAEEGZ-JXUBOQSCSA-N -1 0 324.337 -0.017 20 0 DBADRM NS(=O)(=O)c1ccc(N2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000360419050 382083000 /nfs/dbraw/zinc/08/30/00/382083000.db2.gz FWFOAVBWEUYRQY-UHFFFAOYSA-N -1 0 313.335 -0.933 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000579668327 382083832 /nfs/dbraw/zinc/08/38/32/382083832.db2.gz ZDNTXGBUFQKOOH-KOLCDFICSA-N -1 0 311.342 -0.154 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCCNC(C)=O ZINC000360874812 382083933 /nfs/dbraw/zinc/08/39/33/382083933.db2.gz BAAPATPSHMFEMU-UHFFFAOYSA-N -1 0 321.380 -0.266 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)[C@H]1CCO[C@H](C)C1)C(=O)[O-] ZINC000579717469 382087333 /nfs/dbraw/zinc/08/73/33/382087333.db2.gz AVTQUWTUCICUIG-UTLUCORTSA-N -1 0 323.367 -0.120 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCS(=O)(=O)N(C)C)C[C@H]1C(=O)[O-] ZINC000579948587 382101510 /nfs/dbraw/zinc/10/15/10/382101510.db2.gz NUAJYGWDFOPCSV-NXEZZACHSA-N -1 0 321.399 -0.370 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000581763943 382173911 /nfs/dbraw/zinc/17/39/11/382173911.db2.gz XHWYZJDUFNZTFF-CABZTGNLSA-N -1 0 315.351 -0.170 20 0 DBADRM O=C(C[C@H]1Oc2ccccc2NC1=O)NCCc1nc(=O)o[n-]1 ZINC000581765914 382174348 /nfs/dbraw/zinc/17/43/48/382174348.db2.gz DAKJIDYRFVFMGQ-SNVBAGLBSA-N -1 0 318.289 -0.189 20 0 DBADRM COCCNS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)[O-])O2 ZINC000581820346 382176695 /nfs/dbraw/zinc/17/66/95/382176695.db2.gz AREVLFWHXZBQMN-LLVKDONJSA-N -1 0 301.320 -0.001 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000380892521 382140148 /nfs/dbraw/zinc/14/01/48/382140148.db2.gz FSVMWGOUKAULIO-SCZZXKLOSA-N -1 0 309.340 -0.557 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)N[C@H]2CCCNC2=O)c1 ZINC000581611216 382161600 /nfs/dbraw/zinc/16/16/00/382161600.db2.gz RNEQVYRKPIRJPM-NSHDSACASA-N -1 0 312.347 -0.129 20 0 DBADRM O=C([O-])[C@@H]1CN(c2cc(N3CCC[C@H]3CO)ncn2)CCO1 ZINC000581669351 382169041 /nfs/dbraw/zinc/16/90/41/382169041.db2.gz OLJATQPAQQHDQV-QWRGUYRKSA-N -1 0 308.338 -0.273 20 0 DBADRM C[C@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC(=O)N1 ZINC000581708019 382171021 /nfs/dbraw/zinc/17/10/21/382171021.db2.gz KMWNFJRDVGVZGV-VIFPVBQESA-N -1 0 308.363 -0.171 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[C@H]1C(=O)[O-] ZINC000384662025 382171333 /nfs/dbraw/zinc/17/13/33/382171333.db2.gz UWGOUXASRFHETO-IUCAKERBSA-N -1 0 306.340 -0.582 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CCC(O)(C(=O)[O-])CC1)C1CC1 ZINC000581724339 382172477 /nfs/dbraw/zinc/17/24/77/382172477.db2.gz YGVUCSGCMPYPAI-JTQLQIEISA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000581726914 382172601 /nfs/dbraw/zinc/17/26/01/382172601.db2.gz QPVVEARDNFQPIW-MXWKQRLJSA-N -1 0 323.353 -0.648 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000386956699 382198349 /nfs/dbraw/zinc/19/83/49/382198349.db2.gz OJQVTRDIQCXALB-GFCCVEGCSA-N -1 0 317.367 -0.160 20 0 DBADRM CC1CCN(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)CC1 ZINC000386778453 382199032 /nfs/dbraw/zinc/19/90/32/382199032.db2.gz KXWRGVXKYNJZBU-UHFFFAOYSA-N -1 0 306.384 -0.125 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)NCCC(=O)[O-])COc2ccccc2O1 ZINC000627277772 382214062 /nfs/dbraw/zinc/21/40/62/382214062.db2.gz XQYDWFZNANBNKQ-OAHLLOKOSA-N -1 0 322.317 -0.076 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CCC2)C1=O)C(=O)[O-] ZINC000627279074 382215128 /nfs/dbraw/zinc/21/51/28/382215128.db2.gz GGTJCKFTAHRIGO-WCBMZHEXSA-N -1 0 311.338 -0.907 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[C@H](C)C(=O)[O-] ZINC000252855286 382217104 /nfs/dbraw/zinc/21/71/04/382217104.db2.gz KDQQLRITBFYWNQ-GUBZILKMSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2csc(C(=O)[O-])c2)CC(=O)N1 ZINC000387356026 382217322 /nfs/dbraw/zinc/21/73/22/382217322.db2.gz VVUWIFAUJGPWSW-LURJTMIESA-N -1 0 304.349 -0.045 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccncc1 ZINC000627282415 382226438 /nfs/dbraw/zinc/22/64/38/382226438.db2.gz AUIGNBBZXASKPX-PWSUYJOCSA-N -1 0 321.333 -0.387 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000081902558 382292174 /nfs/dbraw/zinc/29/21/74/382292174.db2.gz WBTDUFFZGWRCDP-LURJTMIESA-N -1 0 310.353 -0.576 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000627283478 382245835 /nfs/dbraw/zinc/24/58/35/382245835.db2.gz DEADLUIXXLHEEZ-VXGBXAGGSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ccc[nH]c2=O)C1 ZINC000627285308 382246509 /nfs/dbraw/zinc/24/65/09/382246509.db2.gz YRHPQUHKWXZJBQ-MWLCHTKSSA-N -1 0 321.333 -0.027 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCC23CC3)CCO1 ZINC000627284762 382246568 /nfs/dbraw/zinc/24/65/68/382246568.db2.gz IXRATCOCCQSSOP-GHMZBOCLSA-N -1 0 310.350 -0.005 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2ccc[nH]c2=O)C[C@H]1C(=O)[O-] ZINC000627284991 382246747 /nfs/dbraw/zinc/24/67/47/382246747.db2.gz PSKWUTYXDMWQKB-MWLCHTKSSA-N -1 0 321.333 -0.027 20 0 DBADRM O=C(NC1CC1)C(=O)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000047476780 382265878 /nfs/dbraw/zinc/26/58/78/382265878.db2.gz LHSOBCIRZZEUPS-UHFFFAOYSA-N -1 0 317.345 -0.045 20 0 DBADRM NC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC000057118053 382271833 /nfs/dbraw/zinc/27/18/33/382271833.db2.gz OUCSBCNVUQBNRM-UHFFFAOYSA-N -1 0 323.334 -0.574 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000615971999 382325081 /nfs/dbraw/zinc/32/50/81/382325081.db2.gz NWQYWHZQTYNISR-SSDOTTSWSA-N -1 0 315.351 -0.706 20 0 DBADRM CC1CCN(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)CC1 ZINC000089696340 382334708 /nfs/dbraw/zinc/33/47/08/382334708.db2.gz VUSUTPBTQHKDRM-UHFFFAOYSA-N -1 0 317.371 -0.457 20 0 DBADRM COC(=O)c1cccc(CS(=O)(=O)NC[C@@H](O)C(=O)[O-])c1 ZINC000090262630 382336044 /nfs/dbraw/zinc/33/60/44/382336044.db2.gz BRDXCHMBGAYBOF-SNVBAGLBSA-N -1 0 317.319 -0.662 20 0 DBADRM COC(=O)c1ccc(CS(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1 ZINC000090262634 382336131 /nfs/dbraw/zinc/33/61/31/382336131.db2.gz GFKRHYJPOLDMOC-SNVBAGLBSA-N -1 0 317.319 -0.662 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc(F)c(C(N)=O)c2)c1[O-] ZINC000618442439 382360905 /nfs/dbraw/zinc/36/09/05/382360905.db2.gz WVTYCYKRUBMHAH-VIFPVBQESA-N -1 0 309.253 -0.088 20 0 DBADRM CCCC[C@@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400302665 382392366 /nfs/dbraw/zinc/39/23/66/382392366.db2.gz QAIVOTLBBIBCMU-VHSXEESVSA-N -1 0 321.399 -0.037 20 0 DBADRM CCCC[C@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400302661 382392427 /nfs/dbraw/zinc/39/24/27/382392427.db2.gz QAIVOTLBBIBCMU-UWVGGRQHSA-N -1 0 321.399 -0.037 20 0 DBADRM CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000620403095 382447295 /nfs/dbraw/zinc/44/72/95/382447295.db2.gz MKDYTENIOPLWGW-SNVBAGLBSA-N -1 0 322.365 -0.137 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCSC[C@@H](C(=O)[O-])C2)S1(=O)=O ZINC000621606749 382492665 /nfs/dbraw/zinc/49/26/65/382492665.db2.gz DBRFCWUVSIXTDM-IUCAKERBSA-N -1 0 322.408 -0.704 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000621605115 382492698 /nfs/dbraw/zinc/49/26/98/382492698.db2.gz VEDRDEJADDLVMY-VIFPVBQESA-N -1 0 322.408 -0.702 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])S1(=O)=O ZINC000621600213 382493081 /nfs/dbraw/zinc/49/30/81/382493081.db2.gz YSHZGZPECNQWNM-IVZWLZJFSA-N -1 0 304.368 -0.220 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC000621602409 382493197 /nfs/dbraw/zinc/49/31/97/382493197.db2.gz RNPUGQLQNMMXEO-IUCAKERBSA-N -1 0 307.393 -0.303 20 0 DBADRM CCc1cc(N2CCC[C@@H](NC(=O)c3nc(=O)[nH][n-]3)C2)ncn1 ZINC000112507773 382482436 /nfs/dbraw/zinc/48/24/36/382482436.db2.gz BUVWQUYKWDUORE-SNVBAGLBSA-N -1 0 317.353 -0.151 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])nn1 ZINC000621567212 382489539 /nfs/dbraw/zinc/48/95/39/382489539.db2.gz NKLLDHMFKBVPKT-LLVKDONJSA-N -1 0 323.353 -0.164 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C1CCCCC1 ZINC000621586287 382491569 /nfs/dbraw/zinc/49/15/69/382491569.db2.gz YATVOMOADYFSJZ-VHSXEESVSA-N -1 0 304.368 -0.172 20 0 DBADRM COC(=O)CCN1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000312504365 382506615 /nfs/dbraw/zinc/50/66/15/382506615.db2.gz FNZVUFKEZQWOAW-UHFFFAOYSA-N -1 0 302.356 -0.721 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H](CO)C1)C(=O)[O-] ZINC000621835519 382512207 /nfs/dbraw/zinc/51/22/07/382512207.db2.gz CHFKLHAMIWMMJN-TUAOUCFPSA-N -1 0 314.382 -0.064 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CC2(F)F)CCO1 ZINC000621836595 382514044 /nfs/dbraw/zinc/51/40/44/382514044.db2.gz MTTJNRWCTZXJNZ-SFYZADRCSA-N -1 0 306.265 -0.540 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C[C@@H]1CO ZINC000622045842 382539781 /nfs/dbraw/zinc/53/97/81/382539781.db2.gz ADCDCDJGUPYOJZ-GRYCIOLGSA-N -1 0 312.366 -0.214 20 0 DBADRM CCCNC(=O)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000622503365 382568156 /nfs/dbraw/zinc/56/81/56/382568156.db2.gz TZNRPXHNEYRFBY-UHFFFAOYSA-N -1 0 315.351 -0.704 20 0 DBADRM Cn1cc(CCNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])cn1 ZINC000622504749 382569035 /nfs/dbraw/zinc/56/90/35/382569035.db2.gz QVUXPDDRRVAXHE-UHFFFAOYSA-N -1 0 324.362 -0.254 20 0 DBADRM COC(=O)c1ccccc1S(=O)(=O)NCCOCC(=O)[O-] ZINC000093228375 382585024 /nfs/dbraw/zinc/58/50/24/382585024.db2.gz AQEAGCLLZOHLQY-UHFFFAOYSA-N -1 0 317.319 -0.147 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000627920075 382644969 /nfs/dbraw/zinc/64/49/69/382644969.db2.gz QJYIQKOMLUXIGE-NXEZZACHSA-N -1 0 315.351 -0.403 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCO[C@H](C)C2)cn1C ZINC000357922249 382645964 /nfs/dbraw/zinc/64/59/64/382645964.db2.gz ZLYOYXNQTRFXNC-SECBINFHSA-N -1 0 316.383 -0.746 20 0 DBADRM O=C1[C@H](NS(=O)(=O)c2ncc[n-]2)CCN1CC(F)(F)F ZINC000631947781 382656593 /nfs/dbraw/zinc/65/65/93/382656593.db2.gz MIKLKYDOVRDTBU-ZCFIWIBFSA-N -1 0 312.273 -0.149 20 0 DBADRM O=C(N1CCC[C@H](c2nnn[n-]2)C1)C1(N2CCOCC2)CC1 ZINC000632054429 382660338 /nfs/dbraw/zinc/66/03/38/382660338.db2.gz WTZFSUMXHIVVKF-NSHDSACASA-N -1 0 306.370 -0.230 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000632192313 382663753 /nfs/dbraw/zinc/66/37/53/382663753.db2.gz ZLJOSKOSGVXGEM-MNOVXSKESA-N -1 0 300.384 -0.371 20 0 DBADRM CCOCCN(C)C(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000633065620 382680596 /nfs/dbraw/zinc/68/05/96/382680596.db2.gz NRRBCDKRXNOFHA-AWEZNQCLSA-N -1 0 316.354 -0.569 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCCOCC2)C1 ZINC000633063601 382680598 /nfs/dbraw/zinc/68/05/98/382680598.db2.gz ZKYXKPSSBVRXDK-CQSZACIVSA-N -1 0 314.338 -0.815 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CCO1 ZINC000633065686 382680749 /nfs/dbraw/zinc/68/07/49/382680749.db2.gz OZTKSYDNAUBXGK-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3COC[C@@H]3C2)C1 ZINC000633069501 382680927 /nfs/dbraw/zinc/68/09/27/382680927.db2.gz NWIYMKAEDSFMFR-SRVKXCTJSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CCOC3)C2)C1 ZINC000633066398 382680968 /nfs/dbraw/zinc/68/09/68/382680968.db2.gz JIUNGRYHBKCSBU-NHYWBVRUSA-N -1 0 310.350 -0.051 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](F)C2)C1 ZINC000633073615 382681105 /nfs/dbraw/zinc/68/11/05/382681105.db2.gz WOPBHMKGAHGOQA-TVQRCGJNSA-N -1 0 302.302 -0.494 20 0 DBADRM CCS(=O)(=O)CC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000356996576 220689413 /nfs/dbraw/zinc/68/94/13/220689413.db2.gz KUEVRWALDHHHCK-UHFFFAOYSA-N -1 0 311.323 -0.259 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)c2ccc3c(c2)OCO3)CCOC1 ZINC000368520414 220891013 /nfs/dbraw/zinc/89/10/13/220891013.db2.gz VALIKUBBPFTHEJ-LBPRGKRZSA-N -1 0 315.303 -0.063 20 0 DBADRM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000447768532 533244659 /nfs/dbraw/zinc/24/46/59/533244659.db2.gz SGQUSZVMVZXTHJ-BQBZGAKWSA-N -1 0 316.326 -0.421 20 0 DBADRM COCCc1nc(=NCCS(=O)(=O)NC2CC2)s[n-]1 ZINC000444837788 533327762 /nfs/dbraw/zinc/32/77/62/533327762.db2.gz UWNVJCLVKWEQQM-UHFFFAOYSA-N -1 0 306.413 -0.357 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC000447174622 533635031 /nfs/dbraw/zinc/63/50/31/533635031.db2.gz JWRGJKNGYQAHNW-UMNHJUIQSA-N -1 0 322.383 -0.738 20 0 DBADRM Cn1cnc2c1c(=O)n(CC(=O)[N-]OC1CCCC1)c(=O)n2C ZINC000271635761 129943801 /nfs/dbraw/zinc/94/38/01/129943801.db2.gz BVFBSYLZTJQNNF-UHFFFAOYSA-N -1 0 321.337 -0.576 20 0 DBADRM NC(=O)CO[N-]C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000272306184 130019192 /nfs/dbraw/zinc/01/91/92/130019192.db2.gz XPWBGHRWWOPVBB-UHFFFAOYSA-N -1 0 322.296 -0.163 20 0 DBADRM COc1n[nH]c([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)n1 ZINC000272810770 130066658 /nfs/dbraw/zinc/06/66/58/130066658.db2.gz HYWXOHPYHJSACF-SSDOTTSWSA-N -1 0 314.327 -0.228 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)NC(C)(CO)CO)cc2[n-]c1=S ZINC000273161390 130093611 /nfs/dbraw/zinc/09/36/11/130093611.db2.gz KMQMRHUIVTYULU-UHFFFAOYSA-N -1 0 323.374 -0.305 20 0 DBADRM NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CCO1 ZINC000273661432 130149325 /nfs/dbraw/zinc/14/93/25/130149325.db2.gz ICCUUYZUICUBJS-SNVBAGLBSA-N -1 0 314.319 -0.740 20 0 DBADRM O=C([O-])C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000274134469 130209451 /nfs/dbraw/zinc/20/94/51/130209451.db2.gz FUFICJQXBHYASA-UHFFFAOYSA-N -1 0 321.337 -0.954 20 0 DBADRM CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C(=O)[O-] ZINC000274212507 130217151 /nfs/dbraw/zinc/21/71/51/130217151.db2.gz XBZCYPRXVUQJKA-UHFFFAOYSA-N -1 0 316.335 -1.000 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)CNC(=O)c1cccc(O)c1 ZINC000274460633 130238363 /nfs/dbraw/zinc/23/83/63/130238363.db2.gz JWIQUCMSMYMHAH-LBPRGKRZSA-N -1 0 321.377 -0.041 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1cccc2c1OCCO2 ZINC000274872075 130268628 /nfs/dbraw/zinc/26/86/28/130268628.db2.gz AWNVXXBXSIYIES-ZETCQYMHSA-N -1 0 303.292 -0.818 20 0 DBADRM Cc1cccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1F ZINC000274895067 130271343 /nfs/dbraw/zinc/27/13/43/130271343.db2.gz GWVVJZXEACKIGT-SSDOTTSWSA-N -1 0 304.299 -0.259 20 0 DBADRM COc1cccc(OC)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000274920424 130273366 /nfs/dbraw/zinc/27/33/66/130273366.db2.gz MSCAETMNFKGTAR-XCBNKYQSSA-N -1 0 319.335 -0.184 20 0 DBADRM COCCn1cc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])cn1 ZINC000274916125 130273910 /nfs/dbraw/zinc/27/39/10/130273910.db2.gz ACLHXIPWXUXMNW-VIFPVBQESA-N -1 0 321.380 -0.322 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1C ZINC000274924915 130274982 /nfs/dbraw/zinc/27/49/82/130274982.db2.gz NRFYOZWXKSWWCU-BDAKNGLRSA-N -1 0 305.356 -0.368 20 0 DBADRM C[C@H](O)[C@@H](NS(=O)(=O)c1cc(Cl)cnc1N)C(=O)[O-] ZINC000274967601 130277265 /nfs/dbraw/zinc/27/72/65/130277265.db2.gz VXGHFHQYWHTGPZ-MHTLYPKNSA-N -1 0 309.731 -0.571 20 0 DBADRM COCCc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc1 ZINC000274972635 130279547 /nfs/dbraw/zinc/27/95/47/130279547.db2.gz WNGJRFXODUFHGX-LBPRGKRZSA-N -1 0 317.363 -0.011 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000275022755 130284243 /nfs/dbraw/zinc/28/42/43/130284243.db2.gz BCUSXIOMCIHDKQ-UHFFFAOYSA-N -1 0 313.282 -0.784 20 0 DBADRM CCC(=O)C[C@@H](NS(=O)(=O)CCCC(=O)OC)C(=O)[O-] ZINC000275038772 130284347 /nfs/dbraw/zinc/28/43/47/130284347.db2.gz QXHIOLGXGLIHGK-SECBINFHSA-N -1 0 309.340 -0.319 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)[C@@H]1CCOC1)C(=O)[O-] ZINC000275026376 130284358 /nfs/dbraw/zinc/28/43/58/130284358.db2.gz DZRNIEPCOQDWTO-MWLCHTKSSA-N -1 0 317.367 -0.129 20 0 DBADRM COCc1cccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1 ZINC000275035095 130284813 /nfs/dbraw/zinc/28/48/13/130284813.db2.gz GCHPTGGVLROLGB-NSHDSACASA-N -1 0 303.336 -0.053 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)[C@@H]1CCOC1)C(=O)[O-] ZINC000275026375 130285617 /nfs/dbraw/zinc/28/56/17/130285617.db2.gz DZRNIEPCOQDWTO-KOLCDFICSA-N -1 0 317.367 -0.129 20 0 DBADRM CCOc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cn1 ZINC000275045272 130286272 /nfs/dbraw/zinc/28/62/72/130286272.db2.gz HJXVJJDZSFPNQY-VIFPVBQESA-N -1 0 304.324 -0.406 20 0 DBADRM CCC(=O)C[C@@H](NS(=O)(=O)C[C@H](C)C(=O)OC)C(=O)[O-] ZINC000275057805 130287258 /nfs/dbraw/zinc/28/72/58/130287258.db2.gz UFKTXFDRCLDRKT-IONNQARKSA-N -1 0 309.340 -0.463 20 0 DBADRM CCN(CC)C(=O)CCCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000275075522 130289298 /nfs/dbraw/zinc/28/92/98/130289298.db2.gz CIKATZADZCWYGG-UHFFFAOYSA-N -1 0 315.399 -0.045 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)C(=O)[O-] ZINC000275068302 130290554 /nfs/dbraw/zinc/29/05/54/130290554.db2.gz KWDFWEZYUNPBSI-SSDOTTSWSA-N -1 0 321.742 -0.268 20 0 DBADRM O=C([O-])C1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000275118365 130293529 /nfs/dbraw/zinc/29/35/29/130293529.db2.gz LWFFDCPIPVBTGC-UHFFFAOYSA-N -1 0 309.307 -0.633 20 0 DBADRM CC[C@H](CO)N1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000275172971 130295945 /nfs/dbraw/zinc/29/59/45/130295945.db2.gz WQWWOPCLAUSTIM-SECBINFHSA-N -1 0 315.399 -0.895 20 0 DBADRM CCCN1CCN(C(=O)c2cnc([O-])n(C)c2=O)C(C)(C)C1=O ZINC000275261518 130300587 /nfs/dbraw/zinc/30/05/87/130300587.db2.gz YRJROSLLJBHKNU-UHFFFAOYSA-N -1 0 322.365 -0.041 20 0 DBADRM COC(=O)c1cc(F)ccc1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000275267474 130301375 /nfs/dbraw/zinc/30/13/75/130301375.db2.gz MWTFJLFCHMCWBS-QMMMGPOBSA-N -1 0 321.282 -0.664 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000275367395 130307684 /nfs/dbraw/zinc/30/76/84/130307684.db2.gz VUMVKVCTNJDWIA-UHFFFAOYSA-N -1 0 305.356 -0.393 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000275346464 130308708 /nfs/dbraw/zinc/30/87/08/130308708.db2.gz VUQXFBCOWHVDFV-LLVKDONJSA-N -1 0 318.351 -0.070 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000275406021 130316603 /nfs/dbraw/zinc/31/66/03/130316603.db2.gz ZKJVQKLDYGETQP-UHFFFAOYSA-N -1 0 308.743 -0.056 20 0 DBADRM O=C([O-])CNC(=O)c1nc2ncc(Br)cn2n1 ZINC000237934844 391982116 /nfs/dbraw/zinc/98/21/16/391982116.db2.gz NXLYHLNETJEOMV-UHFFFAOYSA-N -1 0 300.072 -0.299 20 0 DBADRM CCn1cc(S(=O)(=O)N(C)CC(=O)OC)cc1C(=O)[O-] ZINC000037507010 392016628 /nfs/dbraw/zinc/01/66/28/392016628.db2.gz RTAPORGPEVJTFI-UHFFFAOYSA-N -1 0 304.324 0.000 20 0 DBADRM CC(C)(CNC(=O)CSc1n[nH]c(=O)[n-]1)[C@]1(O)CCOC1 ZINC000649087768 392011853 /nfs/dbraw/zinc/01/18/53/392011853.db2.gz FCINXBSHGWFUMW-LBPRGKRZSA-N -1 0 316.383 -0.104 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccc(F)cc1 ZINC000277348405 130604643 /nfs/dbraw/zinc/60/46/43/130604643.db2.gz DHUBPEOHWKWMNL-UHFFFAOYSA-N -1 0 302.327 -0.050 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCOCC2CC2)cn1 ZINC000236430113 391975097 /nfs/dbraw/zinc/97/50/97/391975097.db2.gz AJEJINBUCPUXQV-UHFFFAOYSA-N -1 0 303.340 -0.327 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CC1(Cl)Cl ZINC000277636870 130629527 /nfs/dbraw/zinc/62/95/27/130629527.db2.gz NIQBCJOWHJENHT-YFKPBYRVSA-N -1 0 303.167 -0.238 20 0 DBADRM CN(C(=O)CN1CCN(C(=O)C(=O)[O-])CC1)c1nccs1 ZINC000649451972 392073217 /nfs/dbraw/zinc/07/32/17/392073217.db2.gz LVXDPLMNDHDNSN-UHFFFAOYSA-N -1 0 312.351 -0.665 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])s1 ZINC000649461326 392076163 /nfs/dbraw/zinc/07/61/63/392076163.db2.gz RUKLPOHQRLDHNX-RNFRBKRXSA-N -1 0 304.349 -0.268 20 0 DBADRM CN(C)C(=O)Cn1ccc(=NC(=O)NC2(CC(=O)[O-])CCC2)[nH]1 ZINC000649539133 392089862 /nfs/dbraw/zinc/08/98/62/392089862.db2.gz KUAQAPVXMZWBOA-UHFFFAOYSA-N -1 0 323.353 -0.088 20 0 DBADRM CN1CC[C@@H](C(=O)Nc2nc(CC(=O)[O-])cs2)S1(=O)=O ZINC000649240021 392022884 /nfs/dbraw/zinc/02/28/84/392022884.db2.gz WXBWKBSROQRNLS-ZETCQYMHSA-N -1 0 319.364 -0.257 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)CC(C)(C)C(=O)[O-] ZINC000649257281 392024474 /nfs/dbraw/zinc/02/44/74/392024474.db2.gz DLVCELLMMBIDAK-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM CC(C)c1n[n-]c(=NCCN2CCN(S(C)(=O)=O)CC2)o1 ZINC000649252225 392025333 /nfs/dbraw/zinc/02/53/33/392025333.db2.gz XTTYAZQQUCLYJY-UHFFFAOYSA-N -1 0 317.415 -0.396 20 0 DBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000649250934 392025360 /nfs/dbraw/zinc/02/53/60/392025360.db2.gz CTYHLWVJTWAJQE-BBBLOLIVSA-N -1 0 320.367 -0.889 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000649355499 392051132 /nfs/dbraw/zinc/05/11/32/392051132.db2.gz ANPSLUQVAURSBC-CYBMUJFWSA-N -1 0 314.363 -0.006 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000380194469 392061253 /nfs/dbraw/zinc/06/12/53/392061253.db2.gz XYRDPBMYDRPNLO-MRVPVSSYSA-N -1 0 320.289 -0.363 20 0 DBADRM CS(=O)(=O)NC1CCN(c2cncc(C(=O)[O-])n2)CC1 ZINC000649383984 392061325 /nfs/dbraw/zinc/06/13/25/392061325.db2.gz PCNWGUJRPWTRMI-UHFFFAOYSA-N -1 0 300.340 -0.307 20 0 DBADRM O=C([O-])C[C@H]1CN(c2nccc(N3CCOCC3)n2)CCO1 ZINC000649401690 392062384 /nfs/dbraw/zinc/06/23/84/392062384.db2.gz AVOWFKRDZNTFQR-NSHDSACASA-N -1 0 308.338 -0.007 20 0 DBADRM COc1nc(NCc2nnc3n2CCOC3)ccc1C(=O)[O-] ZINC000649398203 392062929 /nfs/dbraw/zinc/06/29/29/392062929.db2.gz FGJXGYNTQMIDRQ-UHFFFAOYSA-N -1 0 305.294 -0.056 20 0 DBADRM CS(=O)(=O)N1CCC(CNc2ncncc2C(=O)[O-])CC1 ZINC000649387704 392062947 /nfs/dbraw/zinc/06/29/47/392062947.db2.gz OLIWOCJBHYZVAI-UHFFFAOYSA-N -1 0 314.367 -0.320 20 0 DBADRM Cc1c(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cnn1C ZINC000380642659 392064422 /nfs/dbraw/zinc/06/44/22/392064422.db2.gz NPGGFCVJIAXPEW-VIFPVBQESA-N -1 0 303.340 -0.407 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000380844238 392064444 /nfs/dbraw/zinc/06/44/44/392064444.db2.gz QBCOWGUSHGOEHL-NSHDSACASA-N -1 0 303.340 -0.468 20 0 DBADRM O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000555070026 392103089 /nfs/dbraw/zinc/10/30/89/392103089.db2.gz KREQPEYQGCSDGE-NOOOWODRSA-N -1 0 307.354 -0.043 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)CCNS(C)(=O)=O)s[n-]1 ZINC000555317908 392105556 /nfs/dbraw/zinc/10/55/56/392105556.db2.gz ZSMOBOIXKBYLBH-LURJTMIESA-N -1 0 308.385 -0.455 20 0 DBADRM COc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])c(OC)c1 ZINC000275342193 392123136 /nfs/dbraw/zinc/12/31/36/392123136.db2.gz RSORVNBXAKGAQQ-UHFFFAOYSA-N -1 0 319.335 -0.229 20 0 DBADRM CC(C)n1cnc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000282335122 130914947 /nfs/dbraw/zinc/91/49/47/130914947.db2.gz VXONITKKLLAJDU-UHFFFAOYSA-N -1 0 302.356 -0.340 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC(=O)N1C ZINC000283778473 131021409 /nfs/dbraw/zinc/02/14/09/131021409.db2.gz KNIBDHVACFTUPT-QMMMGPOBSA-N -1 0 315.351 -0.426 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC(=O)N1C ZINC000283778471 131021412 /nfs/dbraw/zinc/02/14/12/131021412.db2.gz KNIBDHVACFTUPT-MRVPVSSYSA-N -1 0 315.351 -0.426 20 0 DBADRM C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000284238741 131061875 /nfs/dbraw/zinc/06/18/75/131061875.db2.gz KSRYCXHEAFSCKG-DTWKUNHWSA-N -1 0 323.353 -0.081 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCCC[C@H]2C(N)=O)cc1C(=O)[O-] ZINC000035230183 392356468 /nfs/dbraw/zinc/35/64/68/392356468.db2.gz JXEXCRBZEGPYDG-VIFPVBQESA-N -1 0 315.351 -0.248 20 0 DBADRM CN1CCN(Cc2nc(=O)[n-][nH]2)C[C@H]1c1nc(C2CC2)no1 ZINC000284559742 131092465 /nfs/dbraw/zinc/09/24/65/131092465.db2.gz FWVUYXGLEVGENE-VIFPVBQESA-N -1 0 305.342 -0.153 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-])cn1 ZINC000285242003 131150362 /nfs/dbraw/zinc/15/03/62/131150362.db2.gz UFPPNPWACORXKC-VIFPVBQESA-N -1 0 305.356 -0.033 20 0 DBADRM CCNC(=O)CNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000036780559 392366132 /nfs/dbraw/zinc/36/61/32/392366132.db2.gz MYTHNFAQXGMUEP-UHFFFAOYSA-N -1 0 316.335 -0.192 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccoc1 ZINC000285307129 131155842 /nfs/dbraw/zinc/15/58/42/131155842.db2.gz YUADBOBNXBJTEA-CBAPKCEASA-N -1 0 302.308 -0.381 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000036983849 392370549 /nfs/dbraw/zinc/37/05/49/392370549.db2.gz PRZZMJVFJOFIHN-NXEZZACHSA-N -1 0 320.367 -0.192 20 0 DBADRM CCCCN(C)S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000037420131 392373326 /nfs/dbraw/zinc/37/33/26/392373326.db2.gz JQQNUPMDBONXII-SNVBAGLBSA-N -1 0 304.372 -0.028 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N(C)CCCC(=O)[O-])cn1C ZINC000037419010 392373477 /nfs/dbraw/zinc/37/34/77/392373477.db2.gz KXEDGPZCTUDUEE-UHFFFAOYSA-N -1 0 317.367 -0.130 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC000037414996 392373607 /nfs/dbraw/zinc/37/36/07/392373607.db2.gz SQJQIATUFHKXCK-XCBNKYQSSA-N -1 0 316.335 -0.842 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1C(N)=O ZINC000037419974 392374101 /nfs/dbraw/zinc/37/41/01/392374101.db2.gz YBZCQDNDOTWNBG-LURJTMIESA-N -1 0 302.308 -0.455 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1F ZINC000037462743 392374190 /nfs/dbraw/zinc/37/41/90/392374190.db2.gz KNTTUNVBNMEODT-SECBINFHSA-N -1 0 304.299 -0.259 20 0 DBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC(=O)[O-])cc1 ZINC000037418266 392374224 /nfs/dbraw/zinc/37/42/24/392374224.db2.gz GWCIYQVFZIOKGH-UHFFFAOYSA-N -1 0 322.364 -0.700 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000646912995 392386252 /nfs/dbraw/zinc/38/62/52/392386252.db2.gz SBJBVKRTPNGONL-MRVPVSSYSA-N -1 0 303.322 -0.639 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000037909123 392377413 /nfs/dbraw/zinc/37/74/13/392377413.db2.gz NQGPMIXSBHNGIP-MRVPVSSYSA-N -1 0 313.253 -0.084 20 0 DBADRM Cc1nc(Cl)ccc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000287248746 131270722 /nfs/dbraw/zinc/27/07/22/131270722.db2.gz PHLHERJCXPATHC-UHFFFAOYSA-N -1 0 321.742 -0.477 20 0 DBADRM CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4cnc([O-])n(C)c4=O)[C@H]1[C@H]3C2 ZINC000288176919 131314599 /nfs/dbraw/zinc/31/45/99/131314599.db2.gz ATMPUZDLUHJBEM-DWFQIMNCSA-N -1 0 305.334 -0.019 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)C(=O)[N-]OCCSC)C1 ZINC000288240705 131317493 /nfs/dbraw/zinc/31/74/93/131317493.db2.gz KNULAPNVDYQGQA-SECBINFHSA-N -1 0 303.384 -0.476 20 0 DBADRM C[C@@H]1CC[C@@H](O)CN1C(=O)C(=O)N=c1nc2n([n-]1)CCCC2 ZINC000646965325 392393844 /nfs/dbraw/zinc/39/38/44/392393844.db2.gz CPQDOVWOBAUOAQ-NXEZZACHSA-N -1 0 307.354 -0.653 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-]c1ccn(CC(N)=O)n1)C(C)C ZINC000647125233 392430785 /nfs/dbraw/zinc/43/07/85/392430785.db2.gz HKWFIEMSKAEUKO-VIFPVBQESA-N -1 0 304.372 -0.219 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-]c1cn(C)nc1C(N)=O)C(C)C ZINC000647134592 392437779 /nfs/dbraw/zinc/43/77/79/392437779.db2.gz SDFWSXPTYTXAIV-VIFPVBQESA-N -1 0 304.372 -0.068 20 0 DBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)CCC1CCOCC1 ZINC000557629207 392438989 /nfs/dbraw/zinc/43/89/89/392438989.db2.gz INBLRQJMBNJUQA-LLVKDONJSA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000647142027 392443361 /nfs/dbraw/zinc/44/33/61/392443361.db2.gz MNFRWXYWYUJTRX-MRVPVSSYSA-N -1 0 310.397 -0.798 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000290107840 131453767 /nfs/dbraw/zinc/45/37/67/131453767.db2.gz JJXPQJITVGYIGG-UHFFFAOYSA-N -1 0 307.328 -0.976 20 0 DBADRM CO[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)[O-] ZINC000559215361 392477376 /nfs/dbraw/zinc/47/73/76/392477376.db2.gz RGPKCNQWOWOYDN-SECBINFHSA-N -1 0 319.339 -0.906 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cncc(-n3ccnn3)c2)CCO1 ZINC000647219638 392484602 /nfs/dbraw/zinc/48/46/02/392484602.db2.gz QWMIVCJACDMMEV-NSHDSACASA-N -1 0 303.278 -0.412 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)NC3=O)CCO1 ZINC000647219755 392484749 /nfs/dbraw/zinc/48/47/49/392484749.db2.gz VTEZLKSGORNTLL-JTQLQIEISA-N -1 0 304.258 -0.504 20 0 DBADRM COCCCO[N-]C(=O)CNS(=O)(=O)c1c(C)noc1C ZINC000290866099 131523860 /nfs/dbraw/zinc/52/38/60/131523860.db2.gz JYGZTHNAQALGJV-UHFFFAOYSA-N -1 0 321.355 -0.346 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)o1 ZINC000374439675 392486179 /nfs/dbraw/zinc/48/61/79/392486179.db2.gz BFADYEQPVUVCCJ-NSHDSACASA-N -1 0 319.291 -0.412 20 0 DBADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000290990554 131534365 /nfs/dbraw/zinc/53/43/65/131534365.db2.gz RRQOWGSKNGZKDY-JTQLQIEISA-N -1 0 309.307 -0.490 20 0 DBADRM CC(C)[C@@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)N1CCCC1=O ZINC000370858869 392507685 /nfs/dbraw/zinc/50/76/85/392507685.db2.gz FEUNYLBGIDSZIN-PWSUYJOCSA-N -1 0 322.369 -0.253 20 0 DBADRM COC(=O)N(C)CCCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000370868169 392509395 /nfs/dbraw/zinc/50/93/95/392509395.db2.gz MPEGJXSVKIHNBO-SECBINFHSA-N -1 0 312.330 -0.422 20 0 DBADRM CC[C@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)[O-] ZINC000647254338 392516557 /nfs/dbraw/zinc/51/65/57/392516557.db2.gz FYRBMJSYCWPOCR-QMMMGPOBSA-N -1 0 320.305 -0.775 20 0 DBADRM CN(C)c1ccnc(C(=O)N2Cc3nncn3C[C@@H]2C(=O)[O-])c1 ZINC000643858484 392573558 /nfs/dbraw/zinc/57/35/58/392573558.db2.gz DRVGZQKKRXQJHE-LLVKDONJSA-N -1 0 316.321 -0.152 20 0 DBADRM Cn1ncc2c1nc(NCC1(C(=O)[O-])CCOCC1)nc2N ZINC000647458045 392590175 /nfs/dbraw/zinc/59/01/75/392590175.db2.gz OORGJJOMYUHHHL-UHFFFAOYSA-N -1 0 306.326 -0.339 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000647487427 392596390 /nfs/dbraw/zinc/59/63/90/392596390.db2.gz APVOAWQFJGKSSU-LLVKDONJSA-N -1 0 319.317 -0.110 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)[O-] ZINC000647487448 392596839 /nfs/dbraw/zinc/59/68/39/392596839.db2.gz NNOYMASBFJEWAP-WDEREUQCSA-N -1 0 324.337 -0.020 20 0 DBADRM C[C@H](O)C[C@H](C)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000153863805 392597511 /nfs/dbraw/zinc/59/75/11/392597511.db2.gz ZGFGKNHYOJJPQG-YUMQZZPRSA-N -1 0 306.322 -0.252 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cn(C)nc1C ZINC000643971483 392603137 /nfs/dbraw/zinc/60/31/37/392603137.db2.gz ULYOGZCGFSYZLJ-GFCCVEGCSA-N -1 0 317.367 -0.017 20 0 DBADRM CCCN(C)S(=O)(=O)N1Cc2nncn2C[C@H]1C(=O)[O-] ZINC000643972067 392604331 /nfs/dbraw/zinc/60/43/31/392604331.db2.gz JOJNVSVIFFMJCS-QMMMGPOBSA-N -1 0 303.344 -0.867 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)CCS1(=O)=O ZINC000424242958 392666829 /nfs/dbraw/zinc/66/68/29/392666829.db2.gz MPCSZLNOALEXSS-JTQLQIEISA-N -1 0 313.335 -0.389 20 0 DBADRM CCc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)[nH]n1 ZINC000424247345 392666945 /nfs/dbraw/zinc/66/69/45/392666945.db2.gz QUSXKILIHDWRJE-SECBINFHSA-N -1 0 301.324 -0.704 20 0 DBADRM C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)O1 ZINC000424256286 392667145 /nfs/dbraw/zinc/66/71/45/392667145.db2.gz JCBVSZMDBVKLIV-JLIMGVALSA-N -1 0 305.352 -0.490 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)n1cccn1 ZINC000424244443 392667153 /nfs/dbraw/zinc/66/71/53/392667153.db2.gz NXTQIFFALSQQCO-BDAKNGLRSA-N -1 0 301.324 -0.846 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CCOCC(F)F)CCS1(=O)=O ZINC000424243509 392667283 /nfs/dbraw/zinc/66/72/83/392667283.db2.gz NCBPNKCGRUHHSH-ZETCQYMHSA-N -1 0 315.294 -0.632 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cn3ccccc3n2)CCS1(=O)=O ZINC000424254738 392667299 /nfs/dbraw/zinc/66/72/99/392667299.db2.gz LKOUMUSJDRXPKJ-JTQLQIEISA-N -1 0 323.330 -0.342 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC2CCSCC2)CCS1(=O)=O ZINC000424391782 392668607 /nfs/dbraw/zinc/66/86/07/392668607.db2.gz IKOIPGLZFXJASW-VIFPVBQESA-N -1 0 322.408 -0.225 20 0 DBADRM CC[C@H](C)CS(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424367479 392668673 /nfs/dbraw/zinc/66/86/73/392668673.db2.gz MGPFPUNBEVUTBC-DTWKUNHWSA-N -1 0 313.397 -0.454 20 0 DBADRM Cc1nccc(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424378841 392668846 /nfs/dbraw/zinc/66/88/46/392668846.db2.gz HGBWOMXWKQQKKN-MRVPVSSYSA-N -1 0 314.323 -0.499 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccncc2F)CCS1(=O)=O ZINC000424380045 392668971 /nfs/dbraw/zinc/66/89/71/392668971.db2.gz JJUMDKCKZOZNDV-VIFPVBQESA-N -1 0 317.298 -0.642 20 0 DBADRM Cc1ccoc1CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424397752 392669100 /nfs/dbraw/zinc/66/91/00/392669100.db2.gz LASLSUXMSAUXSZ-JTQLQIEISA-N -1 0 316.335 -0.019 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@H]2CCSC2)CCS1(=O)=O ZINC000424413063 392670095 /nfs/dbraw/zinc/67/00/95/392670095.db2.gz QXIGPKJUCFDDBT-JGVFFNPUSA-N -1 0 308.381 -0.615 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](F)C2)CCS1(=O)=O ZINC000424400932 392670114 /nfs/dbraw/zinc/67/01/14/392670114.db2.gz WQQMHJVXTVTBSX-YIZRAAEISA-N -1 0 308.331 -0.230 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCC(F)(F)F)CCS1(=O)=O ZINC000424405410 392670484 /nfs/dbraw/zinc/67/04/84/392670484.db2.gz HWHABSCBHMASNM-LURJTMIESA-N -1 0 318.273 -0.168 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2-c2ccccc2)CCS1(=O)=O ZINC000424477645 392670650 /nfs/dbraw/zinc/67/06/50/392670650.db2.gz WALNESDJJGPWIT-JTQLQIEISA-N -1 0 323.334 -0.650 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCSC2)CCS1(=O)=O ZINC000424413353 392670733 /nfs/dbraw/zinc/67/07/33/392670733.db2.gz QXIGPKJUCFDDBT-SFYZADRCSA-N -1 0 308.381 -0.615 20 0 DBADRM CCOc1cncc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424473308 392670801 /nfs/dbraw/zinc/67/08/01/392670801.db2.gz QLVVSHQOBPZMHT-QMMMGPOBSA-N -1 0 301.324 -0.437 20 0 DBADRM COCc1nsc(NC([O-])=C2CCN(C)S2(=O)=O)n1 ZINC000648352356 392677036 /nfs/dbraw/zinc/67/70/36/392677036.db2.gz DBFOIEJHUPFJKE-LURJTMIESA-N -1 0 306.369 -0.921 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000647503740 392620511 /nfs/dbraw/zinc/62/05/11/392620511.db2.gz GGMJJGNPAODTBQ-NNYUYHANSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H]1CN(C(=O)NCC(=O)N2CCOCC2)CC[C@H]1C(=O)[O-] ZINC000318822609 392621761 /nfs/dbraw/zinc/62/17/61/392621761.db2.gz YIOGCZKTLVACEM-WDEREUQCSA-N -1 0 313.354 -0.403 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)C1 ZINC000319182441 392622738 /nfs/dbraw/zinc/62/27/38/392622738.db2.gz JXXKYQNYNDRGIQ-IINYFYTJSA-N -1 0 313.354 -0.260 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000319248518 392624912 /nfs/dbraw/zinc/62/49/12/392624912.db2.gz YZRXPUHPPDHBOR-HZMBPMFUSA-N -1 0 315.370 -0.014 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)o1 ZINC000170866576 392689609 /nfs/dbraw/zinc/68/96/09/392689609.db2.gz ZKUDSKJBJVUUBT-VIFPVBQESA-N -1 0 301.368 -0.036 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000647506540 392625574 /nfs/dbraw/zinc/62/55/74/392625574.db2.gz ODOCQVJXLIJXQG-MWLCHTKSSA-N -1 0 313.354 -0.850 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1c1ncnc2c1CCC2 ZINC000644168833 392625842 /nfs/dbraw/zinc/62/58/42/392625842.db2.gz CLRRMETVZWTOFT-VIFPVBQESA-N -1 0 302.294 -0.264 20 0 DBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000174009899 392626263 /nfs/dbraw/zinc/62/62/63/392626263.db2.gz VBNIELILKPKGEE-UHFFFAOYSA-N -1 0 313.314 -0.036 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(c3cncc(OCCO)n3)C2)nn1 ZINC000644168826 392626290 /nfs/dbraw/zinc/62/62/90/392626290.db2.gz BEPWSMRMTQFOFO-SECBINFHSA-N -1 0 320.309 -0.411 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](F)(CO)C2)C[C@H]1C(=O)[O-] ZINC000647505870 392626408 /nfs/dbraw/zinc/62/64/08/392626408.db2.gz LBALMSAWOMMUFR-GPCCPHFNSA-N -1 0 316.329 -0.512 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCn3cncc3C2)CC1 ZINC000647508322 392627536 /nfs/dbraw/zinc/62/75/36/392627536.db2.gz KONSYRMIFWABJP-UHFFFAOYSA-N -1 0 320.349 -0.061 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)NCC(F)F)cc-2c(=O)[n-]1 ZINC000176729597 392637117 /nfs/dbraw/zinc/63/71/17/392637117.db2.gz XIILGJBCFBQVPO-UHFFFAOYSA-N -1 0 306.250 -0.845 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NC[C@H]2CCCO2)CCOCC1 ZINC000647577497 392646278 /nfs/dbraw/zinc/64/62/78/392646278.db2.gz HGSRWXQWEAZCLN-SNVBAGLBSA-N -1 0 314.338 -0.721 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647581076 392647783 /nfs/dbraw/zinc/64/77/83/392647783.db2.gz MNASXYJYAYJYSS-UHFFFAOYSA-N -1 0 313.354 -0.706 20 0 DBADRM Cc1nn(C)c(C)c1CCNC(=O)C(=O)NCCCC(=O)[O-] ZINC000647581077 392647959 /nfs/dbraw/zinc/64/79/59/392647959.db2.gz MNYZZAYDFARIJN-UHFFFAOYSA-N -1 0 310.354 -0.323 20 0 DBADRM CN1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1=O ZINC000647584491 392648182 /nfs/dbraw/zinc/64/81/82/392648182.db2.gz FZZKFWOGGHSLHW-IVZWLZJFSA-N -1 0 311.338 -0.907 20 0 DBADRM Cc1c(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cnn1C ZINC000647583192 392648229 /nfs/dbraw/zinc/64/82/29/392648229.db2.gz ITYJMDYTKWRLHL-GXSJLCMTSA-N -1 0 308.338 -0.286 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCCOCC(F)F)C1 ZINC000647588543 392649328 /nfs/dbraw/zinc/64/93/28/392649328.db2.gz YXQGUZZMLNPYHG-SFYZADRCSA-N -1 0 308.281 -0.246 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647588839 392649424 /nfs/dbraw/zinc/64/94/24/392649424.db2.gz KWCIKRSHTUWCRN-XFWSIPNHSA-N -1 0 311.338 -0.874 20 0 DBADRM CCC(=O)N[C@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000647589858 392649449 /nfs/dbraw/zinc/64/94/49/392649449.db2.gz IDPPSZKJGBLEMI-JTQLQIEISA-N -1 0 313.354 -0.515 20 0 DBADRM C[C@@H]1SCC[C@H]1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000647590223 392649520 /nfs/dbraw/zinc/64/95/20/392649520.db2.gz CMRFPJUYURRZQL-YIZRAAEISA-N -1 0 302.352 -0.691 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2cn(C)nn2)C[C@H]1C(=O)[O-] ZINC000647586142 392649582 /nfs/dbraw/zinc/64/95/82/392649582.db2.gz PLIGYLCGOYECEI-PSASIEDQSA-N -1 0 309.326 -1.000 20 0 DBADRM C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccn(C)n1 ZINC000647588731 392649594 /nfs/dbraw/zinc/64/95/94/392649594.db2.gz FYQIAAFQYALBFX-KXUCPTDWSA-N -1 0 308.338 -0.033 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@](F)(CO)C2)C1 ZINC000647592645 392650604 /nfs/dbraw/zinc/65/06/04/392650604.db2.gz LVKTXERITDGVJP-IGJMFERPSA-N -1 0 302.302 -0.711 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](CF)C2)C1 ZINC000647593496 392650793 /nfs/dbraw/zinc/65/07/93/392650793.db2.gz SBEGGVYVMQFCIJ-UTLUCORTSA-N -1 0 302.302 -0.447 20 0 DBADRM COCCOC[C@H]1CCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000647590591 392650823 /nfs/dbraw/zinc/65/08/23/392650823.db2.gz WFIOMJACGRHIGE-NSHDSACASA-N -1 0 316.354 -0.521 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000647593504 392650965 /nfs/dbraw/zinc/65/09/65/392650965.db2.gz SMQVOSHZLYAGAL-WYUUTHIRSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@@](F)(CO)C2)C1 ZINC000647592646 392651020 /nfs/dbraw/zinc/65/10/20/392651020.db2.gz LVKTXERITDGVJP-RWEMILLDSA-N -1 0 302.302 -0.711 20 0 DBADRM Cc1cn2c(n1)CN(C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)CC2 ZINC000647592823 392651049 /nfs/dbraw/zinc/65/10/49/392651049.db2.gz RILLWKDIKCXPOE-WDEREUQCSA-N -1 0 320.349 -0.097 20 0 DBADRM C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647593476 392651220 /nfs/dbraw/zinc/65/12/20/392651220.db2.gz RBHXHEMQNXHVDD-NOOOWODRSA-N -1 0 312.366 -0.025 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)C1 ZINC000647593210 392652759 /nfs/dbraw/zinc/65/27/59/392652759.db2.gz DNWIHSUJNYHTHQ-HFBDOXOYSA-N -1 0 323.349 -0.906 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)F)C1 ZINC000647620752 392655628 /nfs/dbraw/zinc/65/56/28/392655628.db2.gz BKURCLFNQABNLG-HTQZYQBOSA-N -1 0 316.326 -0.293 20 0 DBADRM CC[C@@H](CS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C)OC ZINC000647642825 392663876 /nfs/dbraw/zinc/66/38/76/392663876.db2.gz MTPCZDZPRVJXFD-WCBMZHEXSA-N -1 0 305.356 -0.110 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647744128 392837373 /nfs/dbraw/zinc/83/73/73/392837373.db2.gz TWVWBANBVOGMJR-UHFFFAOYSA-N -1 0 318.355 -0.374 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647745376 392837379 /nfs/dbraw/zinc/83/73/79/392837379.db2.gz YLALDEIHKOIKPI-UHFFFAOYSA-N -1 0 318.355 -0.422 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCOCC(F)F)C[C@@H]1C(=O)[O-] ZINC000567887285 392837493 /nfs/dbraw/zinc/83/74/93/392837493.db2.gz GUIVLFKIPCAAHK-IUCAKERBSA-N -1 0 322.308 -0.047 20 0 DBADRM O=C([O-])C[C@H]1COCCN1S(=O)(=O)CCOCC1CC1 ZINC000644571453 392778449 /nfs/dbraw/zinc/77/84/49/392778449.db2.gz OTEFFGVIOZQFRK-NSHDSACASA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)CCOCC2CC2)CCOCC1 ZINC000644571282 392778547 /nfs/dbraw/zinc/77/85/47/392778547.db2.gz BKNRUSWFACTIKB-UHFFFAOYSA-N -1 0 307.368 -0.034 20 0 DBADRM COc1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)c(OC)n1 ZINC000644643417 392784057 /nfs/dbraw/zinc/78/40/57/392784057.db2.gz YIQJKIRZHZPYSY-UHFFFAOYSA-N -1 0 307.266 -0.375 20 0 DBADRM Cn1nc2c(c1CNC(=O)c1n[nH]c(=O)[n-]c1=O)CCCC2 ZINC000644678510 392784559 /nfs/dbraw/zinc/78/45/59/392784559.db2.gz RYNNIHBEZXAWKK-UHFFFAOYSA-N -1 0 304.310 -0.175 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)[N-]O[C@H]2CCOC2)C1 ZINC000497227522 392803438 /nfs/dbraw/zinc/80/34/38/392803438.db2.gz LOXSQBWKJPOCIH-VIFPVBQESA-N -1 0 302.327 -0.195 20 0 DBADRM CCC(CC)(NC(=O)NCCNS(=O)(=O)CC)C(=O)[O-] ZINC000390164667 392807263 /nfs/dbraw/zinc/80/72/63/392807263.db2.gz MTEUUALIGVWHOO-UHFFFAOYSA-N -1 0 309.388 -0.132 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)NCCNS(=O)(=O)CC ZINC000390419889 392809045 /nfs/dbraw/zinc/80/90/45/392809045.db2.gz YTARDMGNXQZFIY-SECBINFHSA-N -1 0 309.388 -0.180 20 0 DBADRM O=C(N=c1[n-]nc2nc[nH]n21)c1ccc(N2CCNC2=O)cc1 ZINC000647738440 392834620 /nfs/dbraw/zinc/83/46/20/392834620.db2.gz RGAFTQGXLVHCPZ-UHFFFAOYSA-N -1 0 312.293 -0.344 20 0 DBADRM NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n[nH]1 ZINC000647738815 392834677 /nfs/dbraw/zinc/83/46/77/392834677.db2.gz GOHFXGOIKCKAOF-IWSPIJDZSA-N -1 0 306.322 -0.065 20 0 DBADRM O=C(N=c1[n-]nc2nc[nH]n21)c1cc(N2CCOCC2)ccn1 ZINC000647738246 392834777 /nfs/dbraw/zinc/83/47/77/392834777.db2.gz HDIVMAREMIVPKW-UHFFFAOYSA-N -1 0 314.309 -0.642 20 0 DBADRM COCC1(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CC1 ZINC000647742951 392835824 /nfs/dbraw/zinc/83/58/24/392835824.db2.gz QYCIHCBBNXGCIA-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCC(=O)N1C ZINC000647742312 392835830 /nfs/dbraw/zinc/83/58/30/392835830.db2.gz ORIGAQZYWFVANE-VWMGYNLJSA-N -1 0 320.349 -0.081 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000647742994 392835855 /nfs/dbraw/zinc/83/58/55/392835855.db2.gz SHGYJKASOHDUNF-KXUCPTDWSA-N -1 0 304.368 -0.411 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[C@H]1CCN(C)S1(=O)=O)C(=O)[O-] ZINC000647743572 392835895 /nfs/dbraw/zinc/83/58/95/392835895.db2.gz NHECXBLUKKWNSG-VHSXEESVSA-N -1 0 306.384 -0.117 20 0 DBADRM CNc1nc(C)cc(C(=O)NCC2(C(=O)[O-])CCOCC2)n1 ZINC000647764830 392850452 /nfs/dbraw/zinc/85/04/52/392850452.db2.gz ZDWYRLCPBSNVCK-UHFFFAOYSA-N -1 0 308.338 -0.140 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NCCOCC(=O)[O-])CCCC1 ZINC000571011733 392856343 /nfs/dbraw/zinc/85/63/43/392856343.db2.gz ADBOWZRKPGCSGO-UHFFFAOYSA-N -1 0 323.367 -0.260 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)N[C@H](C(=O)[O-])c2ccnn2C)C1 ZINC000647769108 392857554 /nfs/dbraw/zinc/85/75/54/392857554.db2.gz LFCFSSAFSJWQIH-ONGXEEELSA-N -1 0 308.338 -0.080 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCn2c(=O)ccn(C)c2=O)c1[O-] ZINC000644879850 392858071 /nfs/dbraw/zinc/85/80/71/392858071.db2.gz IODYXOOTQLXFGF-UHFFFAOYSA-N -1 0 307.310 -0.896 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)nc1 ZINC000647779666 392873556 /nfs/dbraw/zinc/87/35/56/392873556.db2.gz DJBRYLUOTHZZAJ-JGVFFNPUSA-N -1 0 313.335 -0.288 20 0 DBADRM COC[C@@](C)([N-]S(=O)(=O)Cc1cc(C)on1)C(=O)OC ZINC000268238486 392923271 /nfs/dbraw/zinc/92/32/71/392923271.db2.gz MMSHPXDXXMCOFM-LLVKDONJSA-N -1 0 306.340 -0.019 20 0 DBADRM CO[N-]C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O ZINC000298103257 132047010 /nfs/dbraw/zinc/04/70/10/132047010.db2.gz NCODQXAOCINSLT-ONGXEEELSA-N -1 0 302.352 -0.300 20 0 DBADRM CN1C(=O)c2ccc(S(=O)(=O)NC3(C(=O)[O-])CC3)cc2C1=O ZINC000298210859 132050744 /nfs/dbraw/zinc/05/07/44/132050744.db2.gz LARQWRKOYYCZBJ-UHFFFAOYSA-N -1 0 324.314 -0.192 20 0 DBADRM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)[N-]OCC(N)=O)C2=O ZINC000298835735 132079056 /nfs/dbraw/zinc/07/90/56/132079056.db2.gz DAHQKKKQRBGSPU-MRVPVSSYSA-N -1 0 305.290 -0.487 20 0 DBADRM COc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c(C)c1 ZINC000298865908 132080992 /nfs/dbraw/zinc/08/09/92/132080992.db2.gz RFUPXUKEUAWFOP-UHFFFAOYSA-N -1 0 316.335 -0.517 20 0 DBADRM CON(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000299280119 132096653 /nfs/dbraw/zinc/09/66/53/132096653.db2.gz GHCLONHYZFIROV-UHFFFAOYSA-N -1 0 302.308 -0.317 20 0 DBADRM Cn1cc(C[C@@H](NS(=O)(=O)[C@H]2CCOC2)C(=O)[O-])cn1 ZINC000275207540 392940404 /nfs/dbraw/zinc/94/04/04/392940404.db2.gz HIZVDUKTQYOYMO-VHSXEESVSA-N -1 0 303.340 -0.876 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000275208688 392940824 /nfs/dbraw/zinc/94/08/24/392940824.db2.gz CBRQEKQFDVVAQZ-UHFFFAOYSA-N -1 0 311.323 -0.243 20 0 DBADRM Cn1cc(C[C@@H](NS(=O)(=O)[C@@H]2CCOC2)C(=O)[O-])cn1 ZINC000275207526 392941492 /nfs/dbraw/zinc/94/14/92/392941492.db2.gz HIZVDUKTQYOYMO-NXEZZACHSA-N -1 0 303.340 -0.876 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(N(C)C)ncn1 ZINC000291011175 392962490 /nfs/dbraw/zinc/96/24/90/392962490.db2.gz WHSQLXQRBYVRRX-MRVPVSSYSA-N -1 0 301.372 -0.239 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cc(F)cc(F)c1F ZINC000645336214 392965810 /nfs/dbraw/zinc/96/58/10/392965810.db2.gz LSARGKOFGDSMJX-UHFFFAOYSA-N -1 0 300.200 -0.128 20 0 DBADRM CN(C)c1n[nH]c(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n1 ZINC000340931135 392982531 /nfs/dbraw/zinc/98/25/31/392982531.db2.gz WOCVQGGLJZYENZ-UHFFFAOYSA-N -1 0 316.281 -0.128 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC000416394005 393004118 /nfs/dbraw/zinc/00/41/18/393004118.db2.gz WFIWFESZSHUHQA-UHFFFAOYSA-N -1 0 321.337 -0.652 20 0 DBADRM C[C@H](NC(=O)c1cc(C(=O)[O-])ccn1)C(=O)N1CCOCC1 ZINC000416415541 393004779 /nfs/dbraw/zinc/00/47/79/393004779.db2.gz KAXZIJZYUSTGFN-VIFPVBQESA-N -1 0 307.306 -0.243 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)CCOCC1CCCC1 ZINC000416457409 393006694 /nfs/dbraw/zinc/00/66/94/393006694.db2.gz NZDRJQOSYVLQDN-NSHDSACASA-N -1 0 309.384 -0.354 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)[N-]CC(F)(F)F)[C@H](C)CN1CCO ZINC000416650221 393014734 /nfs/dbraw/zinc/01/47/34/393014734.db2.gz AINUFTCBQBNSMK-RKDXNWHRSA-N -1 0 319.349 -0.230 20 0 DBADRM NS(=O)(=O)CCOCCN=c1[n-]c(C(F)(F)F)ns1 ZINC000346113920 393083339 /nfs/dbraw/zinc/08/33/39/393083339.db2.gz DRGQVHNNQNSFPK-UHFFFAOYSA-N -1 0 320.318 -0.304 20 0 DBADRM CCNS(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417445512 393046837 /nfs/dbraw/zinc/04/68/37/393046837.db2.gz HGFCCWGQAZKFSM-BDAKNGLRSA-N -1 0 307.372 -0.860 20 0 DBADRM CC1(C)[C@H](O)C[C@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000190659145 393061717 /nfs/dbraw/zinc/06/17/17/393061717.db2.gz KPLKYUVHZLJNOM-RKDXNWHRSA-N -1 0 304.306 -0.499 20 0 DBADRM CCCN=c1[n-]nc(S(=O)(=O)Cc2nnn(C)n2)s1 ZINC000647997005 393066940 /nfs/dbraw/zinc/06/69/40/393066940.db2.gz FYWCMVOEQIJLRO-UHFFFAOYSA-N -1 0 303.373 -0.721 20 0 DBADRM COCCOCCc1ncc(C(=O)NC2(c3nnn[n-]3)CC2)[nH]1 ZINC000348808695 393170613 /nfs/dbraw/zinc/17/06/13/393170613.db2.gz ITANZIKRWLZLRA-UHFFFAOYSA-N -1 0 321.341 -0.453 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000348272341 393135067 /nfs/dbraw/zinc/13/50/67/393135067.db2.gz BYUGHUIBIQDWME-WDSKDSINSA-N -1 0 318.259 -0.238 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000348280105 393135921 /nfs/dbraw/zinc/13/59/21/393135921.db2.gz QRNDEDIYYRMIKJ-ZCFIWIBFSA-N -1 0 318.259 -0.284 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC1(c2nnn[n-]2)CC1 ZINC000348291946 393137490 /nfs/dbraw/zinc/13/74/90/393137490.db2.gz KBMZTWNGBRZPEW-DTORHVGOSA-N -1 0 318.337 -0.520 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC1(c2nnn[n-]2)CC1 ZINC000348291948 393137622 /nfs/dbraw/zinc/13/76/22/393137622.db2.gz KBMZTWNGBRZPEW-RKDXNWHRSA-N -1 0 318.337 -0.520 20 0 DBADRM O=C(CNC(=O)NC1CCCCC1)NC1(c2nnn[n-]2)CC1 ZINC000348294672 393137701 /nfs/dbraw/zinc/13/77/01/393137701.db2.gz SMESXJVDTIZYQO-UHFFFAOYSA-N -1 0 307.358 -0.063 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC2(c3nnn[n-]3)CC2)C1=O ZINC000348294881 393137748 /nfs/dbraw/zinc/13/77/48/393137748.db2.gz UCPVHWBRUZBITH-LBPRGKRZSA-N -1 0 319.325 -0.975 20 0 DBADRM CCCc1nc(=NC(=O)N2CCO[C@@H](C(=O)NC)C2)s[n-]1 ZINC000350904415 393257196 /nfs/dbraw/zinc/25/71/96/393257196.db2.gz VVFNDYVEPRDPPF-MRVPVSSYSA-N -1 0 313.383 -0.109 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)[C@H]1CCc2ncncc2C1 ZINC000648415615 393228416 /nfs/dbraw/zinc/22/84/16/393228416.db2.gz DKUCJAZNZZOEPL-ZETCQYMHSA-N -1 0 301.310 -0.302 20 0 DBADRM CC(C)CN(C(=O)CS(=O)(=O)c1n[nH]c(=O)[n-]1)C1CC1 ZINC000350243472 393234922 /nfs/dbraw/zinc/23/49/22/393234922.db2.gz WHFAQVWNIOOIHY-UHFFFAOYSA-N -1 0 302.356 -0.069 20 0 DBADRM COCCNC(=O)CNC(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000350666650 393243211 /nfs/dbraw/zinc/24/32/11/393243211.db2.gz LYPRUEHOIPZFCV-ZETCQYMHSA-N -1 0 317.371 -0.449 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)N[C@H]2CCC(=O)NC2=O)s[n-]1 ZINC000350665523 393243223 /nfs/dbraw/zinc/24/32/23/393243223.db2.gz DFINJOSTACBCLZ-RITPCOANSA-N -1 0 313.339 -0.406 20 0 DBADRM Cc1cccc2c(=O)n(CC(=O)NC[C@@](C)(O)C(=O)[O-])cnc12 ZINC000349045925 393186201 /nfs/dbraw/zinc/18/62/01/393186201.db2.gz BNFUIZDSVCSWBQ-OAHLLOKOSA-N -1 0 319.317 -0.343 20 0 DBADRM C[C@H](NC(=O)COc1ccccc1)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000349046807 393186503 /nfs/dbraw/zinc/18/65/03/393186503.db2.gz LEBHONHXPLVIJE-ZUZCIYMTSA-N -1 0 324.333 -0.478 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1ncc(=O)c2ccccc21)C(=O)[O-] ZINC000349051104 393187198 /nfs/dbraw/zinc/18/71/98/393187198.db2.gz VCHCDSNTXHRAAP-CQSZACIVSA-N -1 0 305.290 -0.652 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)OC)c1ccn(C)n1 ZINC000349451748 393202589 /nfs/dbraw/zinc/20/25/89/393202589.db2.gz JMCVLRXRBZAEIE-JTQLQIEISA-N -1 0 319.383 -0.021 20 0 DBADRM COC[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)OC ZINC000351851177 393317174 /nfs/dbraw/zinc/31/71/74/393317174.db2.gz VBFBAPWYRDLOOB-JTQLQIEISA-N -1 0 321.289 -0.052 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NC[C@]1(CCO)CCOC1 ZINC000192026926 393265972 /nfs/dbraw/zinc/26/59/72/393265972.db2.gz WIQNJFSKGDVVOL-QMMMGPOBSA-N -1 0 306.306 -0.238 20 0 DBADRM CC[C@@H](O)CN1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000192027572 393268788 /nfs/dbraw/zinc/26/87/88/393268788.db2.gz VCFPPYKNWHUGGU-SECBINFHSA-N -1 0 319.349 -0.228 20 0 DBADRM COC(=O)[C@H](O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000352534107 393382286 /nfs/dbraw/zinc/38/22/86/393382286.db2.gz DDURLBXFCGZVJS-SSDOTTSWSA-N -1 0 322.277 -0.992 20 0 DBADRM COc1n[nH]c(NC(=O)c2ccnc3c(C(N)=O)cnn32)n1 ZINC000352648848 393393924 /nfs/dbraw/zinc/39/39/24/393393924.db2.gz VTJKWQIDRDBHIM-UHFFFAOYSA-N -1 0 302.254 -0.793 20 0 DBADRM COC(=O)[C@H]1CC[C@@H]1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000352806069 393404858 /nfs/dbraw/zinc/40/48/58/393404858.db2.gz QYPCCBJIQPHYAY-WDSKDSINSA-N -1 0 302.312 -0.654 20 0 DBADRM CC[C@@](C)(NC(=O)CNC(=O)c1ncccc1O)C(=O)OC ZINC000352362932 393369541 /nfs/dbraw/zinc/36/95/41/393369541.db2.gz PYYYGQRSDVTZQJ-CQSZACIVSA-N -1 0 309.322 -0.025 20 0 DBADRM CC(C)CCOCCNC(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC000648424991 393468608 /nfs/dbraw/zinc/46/86/08/393468608.db2.gz AROFBGCJQKYYPQ-LBPRGKRZSA-N -1 0 302.371 -0.049 20 0 DBADRM O=C(CN1CCOC[C@H]1C(=O)[O-])NC[C@H]1Cc2ccccc2O1 ZINC000648425781 393469178 /nfs/dbraw/zinc/46/91/78/393469178.db2.gz PLUGVAPZOGLGOE-OLZOCXBDSA-N -1 0 320.345 -0.108 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)C(=O)NCc1ccc(F)cc1 ZINC000648451494 393490519 /nfs/dbraw/zinc/49/05/19/393490519.db2.gz ZAXOUNLUYBKYQB-NSHDSACASA-N -1 0 310.281 -0.246 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000648451142 393490830 /nfs/dbraw/zinc/49/08/30/393490830.db2.gz GIJOZRCXYVEWSN-LBPRGKRZSA-N -1 0 322.317 -0.134 20 0 DBADRM CN1C(=O)C[C@@H](NS(=O)(=O)CCC[C@H]2CCOC2)C1=O ZINC000645696045 393494313 /nfs/dbraw/zinc/49/43/13/393494313.db2.gz PBXXEELSLVOUOY-VHSXEESVSA-N -1 0 304.368 -0.520 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NC[C@@](C)(O)CO)c1 ZINC000424813202 393510619 /nfs/dbraw/zinc/51/06/19/393510619.db2.gz PKXYLUHTJZCJOA-XCLFUZPHSA-N -1 0 301.364 -0.338 20 0 DBADRM COC[C@](C)([N-]S(=O)(=O)CCOCC1CC1)C(=O)OC ZINC000425169757 393512293 /nfs/dbraw/zinc/51/22/93/393512293.db2.gz PPPUBUGJGOPNBJ-LBPRGKRZSA-N -1 0 309.384 -0.090 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000090276832 292020720 /nfs/dbraw/zinc/02/07/20/292020720.db2.gz AMRZBWHUCVJJBW-GFCCVEGCSA-N -1 0 317.319 -0.413 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC000262254746 393596987 /nfs/dbraw/zinc/59/69/87/393596987.db2.gz CNBAKPSWAMOXLJ-DTWKUNHWSA-N -1 0 305.352 -0.440 20 0 DBADRM CCCCCOCC(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424230824 393634694 /nfs/dbraw/zinc/63/46/94/393634694.db2.gz MMSCIYMFEJEBSL-VIFPVBQESA-N -1 0 312.326 -0.014 20 0 DBADRM CC(C)(CCNC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000424235351 393636070 /nfs/dbraw/zinc/63/60/70/393636070.db2.gz RTJMMJNZBIOEBG-UHFFFAOYSA-N -1 0 321.399 -0.481 20 0 DBADRM CC(C)C[C@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)[O-] ZINC000424240398 393636091 /nfs/dbraw/zinc/63/60/91/393636091.db2.gz GAIJEFXNPLTTGA-MRVPVSSYSA-N -1 0 313.310 -0.730 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1ccoc1 ZINC000424390753 393638194 /nfs/dbraw/zinc/63/81/94/393638194.db2.gz LFPRUUOPJHXZCI-ZETCQYMHSA-N -1 0 314.279 -0.766 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1ccccc1 ZINC000424387529 393638400 /nfs/dbraw/zinc/63/84/00/393638400.db2.gz FYXRMZXAWMPVAB-VIFPVBQESA-N -1 0 324.318 -0.359 20 0 DBADRM CC[C@H](C)CS(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424394846 393638432 /nfs/dbraw/zinc/63/84/32/393638432.db2.gz UJUPMKSQCMLWRF-JGVFFNPUSA-N -1 0 318.355 -0.372 20 0 DBADRM CSCCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424412948 393640022 /nfs/dbraw/zinc/64/00/22/393640022.db2.gz QMFSABOGFIQCAF-MRVPVSSYSA-N -1 0 310.397 -0.367 20 0 DBADRM CS[C@H](C)CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424446800 393640770 /nfs/dbraw/zinc/64/07/70/393640770.db2.gz HDEJNQKYXCMQDB-SFYZADRCSA-N -1 0 310.397 -0.369 20 0 DBADRM CNC(=O)CCCN(C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424480311 393643470 /nfs/dbraw/zinc/64/34/70/393643470.db2.gz ISCBSPQREHQCHC-UHFFFAOYSA-N -1 0 315.370 -0.412 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000424478623 393643590 /nfs/dbraw/zinc/64/35/90/393643590.db2.gz DBFMAYWTBLGRRK-JTQLQIEISA-N -1 0 309.326 -0.577 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@](F)(CO)C1)C(=O)[O-] ZINC000424486002 393643635 /nfs/dbraw/zinc/64/36/35/393643635.db2.gz DPWCKZWPCUCOGL-QMTHXVAHSA-N -1 0 318.345 -0.218 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1CCNC(=O)CC1)C(=O)[O-] ZINC000424479796 393644066 /nfs/dbraw/zinc/64/40/66/393644066.db2.gz CFLWHVQDCWEBSB-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424478144 393644297 /nfs/dbraw/zinc/64/42/97/393644297.db2.gz FVJMIOZAURJNIE-CQSZACIVSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC(=O)N1C ZINC000424489272 393644923 /nfs/dbraw/zinc/64/49/23/393644923.db2.gz PSMOCBFYXSAMRK-VIFPVBQESA-N -1 0 313.354 -0.707 20 0 DBADRM Cn1cnc(CCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000424489375 393645138 /nfs/dbraw/zinc/64/51/38/393645138.db2.gz QJMHCZVSFNXYQM-UHFFFAOYSA-N -1 0 310.354 -0.304 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NC[C@H]1COCCO1)C(=O)[O-] ZINC000424521195 393646073 /nfs/dbraw/zinc/64/60/73/393646073.db2.gz QOZPYAPUVOKOMQ-VIFPVBQESA-N -1 0 302.327 -0.865 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000424745768 393652241 /nfs/dbraw/zinc/65/22/41/393652241.db2.gz ZYYLLPAUQRFOPI-XFNZEKPQSA-N -1 0 324.358 -0.276 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1nnn(C)n1 ZINC000428517195 393675923 /nfs/dbraw/zinc/67/59/23/393675923.db2.gz LLWCQEPHZYSWHR-UHFFFAOYSA-N -1 0 324.366 -0.098 20 0 DBADRM CN(CCCNS(=O)(=O)CCCC(=O)[O-])S(C)(=O)=O ZINC000645952401 393735512 /nfs/dbraw/zinc/73/55/12/393735512.db2.gz XCNHXMZQFYBGOD-UHFFFAOYSA-N -1 0 316.401 -0.948 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCCc1cnn(C)c1 ZINC000645962144 393736853 /nfs/dbraw/zinc/73/68/53/393736853.db2.gz MQYHTMICOQSSFZ-UHFFFAOYSA-N -1 0 304.372 -0.406 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@H](n2cncn2)C1 ZINC000645964377 393736924 /nfs/dbraw/zinc/73/69/24/393736924.db2.gz HGVSRYGCEFTGET-JTQLQIEISA-N -1 0 317.371 -0.434 20 0 DBADRM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)CCCC(=O)[O-] ZINC000645969124 393737936 /nfs/dbraw/zinc/73/79/36/393737936.db2.gz WZTLSKQNVSHKKP-VIFPVBQESA-N -1 0 315.413 -0.064 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000645981316 393738062 /nfs/dbraw/zinc/73/80/62/393738062.db2.gz IAQNYWZMPMQAEG-JTQLQIEISA-N -1 0 317.371 -0.434 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@@H](C)O1 ZINC000645987656 393738614 /nfs/dbraw/zinc/73/86/14/393738614.db2.gz SZWSHMLGVFIKFV-ZJUUUORDSA-N -1 0 310.372 -0.627 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCOC[C@@]12CCOC2 ZINC000645995154 393738657 /nfs/dbraw/zinc/73/86/57/393738657.db2.gz ZOAYILBRLAXVGI-NSHDSACASA-N -1 0 308.356 -0.871 20 0 DBADRM C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000645987975 393738952 /nfs/dbraw/zinc/73/89/52/393738952.db2.gz FIJOREWRQLCDAB-UWVGGRQHSA-N -1 0 310.372 -0.579 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000645987977 393738954 /nfs/dbraw/zinc/73/89/54/393738954.db2.gz FIJOREWRQLCDAB-ZJUUUORDSA-N -1 0 310.372 -0.579 20 0 DBADRM O=C([O-])C[C@H]1COCCN1S(=O)(=O)CC[C@@H]1CCOC1 ZINC000646042285 393742809 /nfs/dbraw/zinc/74/28/09/393742809.db2.gz ARADRIQNVSCQEF-QWRGUYRKSA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCN1CCOCC1 ZINC000646043122 393744097 /nfs/dbraw/zinc/74/40/97/393744097.db2.gz HNLMABILXJEBFO-CYBMUJFWSA-N -1 0 320.411 -0.022 20 0 DBADRM CCN1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1=O ZINC000646157738 393755510 /nfs/dbraw/zinc/75/55/10/393755510.db2.gz DMCAMLRFPTYEJO-SNVBAGLBSA-N -1 0 313.354 -0.212 20 0 DBADRM CC[C@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)C(=O)NC ZINC000646166324 393755532 /nfs/dbraw/zinc/75/55/32/393755532.db2.gz FUYGGHPJJYEOCO-VIFPVBQESA-N -1 0 301.343 -0.308 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646168773 393755608 /nfs/dbraw/zinc/75/56/08/393755608.db2.gz QYTMRFSXAKVKGJ-IINYFYTJSA-N -1 0 316.354 -0.293 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCO1 ZINC000646175369 393756213 /nfs/dbraw/zinc/75/62/13/393756213.db2.gz SXHBMCPIBZGDSM-QJPTWQEYSA-N -1 0 313.354 -0.214 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000429257519 393690247 /nfs/dbraw/zinc/69/02/47/393690247.db2.gz RZNRIJVYIYMSMD-SECBINFHSA-N -1 0 320.367 -0.075 20 0 DBADRM CCCCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H]([N@H+](C)CC(=O)[O-])C1 ZINC000487469131 393767410 /nfs/dbraw/zinc/76/74/10/393767410.db2.gz FJHHPCKBJRLVAX-JHJVBQTASA-N -1 0 315.414 -0.257 20 0 DBADRM COC(=O)Cc1nc(NC(=O)Cc2ccc(C(N)=O)cc2)n[nH]1 ZINC000490039235 393783590 /nfs/dbraw/zinc/78/35/90/393783590.db2.gz BQMWNEXHKJUCQR-UHFFFAOYSA-N -1 0 317.305 -0.200 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000491273853 393809010 /nfs/dbraw/zinc/80/90/10/393809010.db2.gz PHNYJZQKSAQELC-UHFFFAOYSA-N -1 0 304.328 -0.639 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000491415616 393812956 /nfs/dbraw/zinc/81/29/56/393812956.db2.gz DEELDQNHVDKTMK-UHFFFAOYSA-N -1 0 307.715 -0.104 20 0 DBADRM COc1ccc(C)cc1/C=C\C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000492598286 393832656 /nfs/dbraw/zinc/83/26/56/393832656.db2.gz UUOUQWFUGHIFSS-XQRVVYSFSA-N -1 0 312.347 -0.052 20 0 DBADRM CCOC(=O)CN(C(=O)CSc1n[nH]c(=O)[n-]1)C1CC1 ZINC000274928710 285725488 /nfs/dbraw/zinc/72/54/88/285725488.db2.gz CNUVYVULYXJNMI-UHFFFAOYSA-N -1 0 300.340 -0.256 20 0 DBADRM CCOCCOCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000262302890 286101825 /nfs/dbraw/zinc/10/18/25/286101825.db2.gz AQQJQFARQRVJLH-SMDDNHRTSA-N -1 0 301.339 -0.011 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000262715557 286652024 /nfs/dbraw/zinc/65/20/24/286652024.db2.gz CNYRXLTYKLFOBR-GXSJLCMTSA-N -1 0 322.383 -0.736 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000372495858 292433296 /nfs/dbraw/zinc/43/32/96/292433296.db2.gz IVPHSKQURMQTQD-DCAQKATOSA-N -1 0 306.384 -0.006 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000261646337 292490242 /nfs/dbraw/zinc/49/02/42/292490242.db2.gz HCANJBAGFCBADH-JTQLQIEISA-N -1 0 310.372 -0.625 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1c(N)noc1C ZINC000496314523 409386557 /nfs/dbraw/zinc/38/65/57/409386557.db2.gz UHQKUEVOHQAVLJ-UHFFFAOYSA-N -1 0 306.300 -0.884 20 0 DBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cn(C)c(C)n1 ZINC000274948131 292509844 /nfs/dbraw/zinc/50/98/44/292509844.db2.gz ABSJWZYZDBCNJL-QMMMGPOBSA-N -1 0 305.356 -0.161 20 0 DBADRM CC(C)(C)n1cnc(=NC(=O)N2CC(N3CC[C@@H](O)C3)C2)[n-]1 ZINC000650124063 411631912 /nfs/dbraw/zinc/63/19/12/411631912.db2.gz GTBPHAZTJUDLHR-LLVKDONJSA-N -1 0 308.386 -0.262 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655244943 411635828 /nfs/dbraw/zinc/63/58/28/411635828.db2.gz YXDCNMRXSTZGEV-HLTSFMKQSA-N -1 0 311.342 -0.490 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000650232311 411637842 /nfs/dbraw/zinc/63/78/42/411637842.db2.gz UZJDUHGHOBSFKI-VXNVDRBHSA-N -1 0 315.351 -0.250 20 0 DBADRM CCC[C@@H](C)[C@@H](CO)NC(=O)C(=O)N=c1ccc(OC)n[n-]1 ZINC000651963557 411641060 /nfs/dbraw/zinc/64/10/60/411641060.db2.gz BDQFPOZONXMJQG-NXEZZACHSA-N -1 0 310.354 -0.241 20 0 DBADRM O=C([O-])CC1(NC(=O)c2ccn3nnnc3c2)CCOCC1 ZINC000659128268 411710607 /nfs/dbraw/zinc/71/06/07/411710607.db2.gz RHFZDQRFYNJSQZ-UHFFFAOYSA-N -1 0 305.294 -0.122 20 0 DBADRM O=C([O-])COc1cccc(CNC(=O)C2(n3cnnn3)CC2)c1 ZINC000659134251 411712032 /nfs/dbraw/zinc/71/20/32/411712032.db2.gz OHGCAXBOJVMZGH-UHFFFAOYSA-N -1 0 317.305 -0.058 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)c1ccc(C(=O)[O-])nc1 ZINC000653298321 411716286 /nfs/dbraw/zinc/71/62/86/411716286.db2.gz CQJADZUTDUBHIX-UHFFFAOYSA-N -1 0 315.351 -0.161 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC000650291411 411656483 /nfs/dbraw/zinc/65/64/83/411656483.db2.gz RHMWVZUBLIYHLB-GWCFXTLKSA-N -1 0 316.379 -0.052 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCCCC(=O)N(C)C)C1 ZINC000390063368 411663191 /nfs/dbraw/zinc/66/31/91/411663191.db2.gz BTJUJAZAYOFFJB-AWEZNQCLSA-N -1 0 315.370 -0.013 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000650417153 411663831 /nfs/dbraw/zinc/66/38/31/411663831.db2.gz RQIZFIJSFLSKSO-WHGOUJPWSA-N -1 0 315.351 -0.272 20 0 DBADRM C[C@@H](C(=O)[O-])C1(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000650426609 411664163 /nfs/dbraw/zinc/66/41/63/411664163.db2.gz OJPLULDHICHZCD-ZETCQYMHSA-N -1 0 315.351 -0.344 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000663081770 411669968 /nfs/dbraw/zinc/66/99/68/411669968.db2.gz GQGPKQJHARLLKE-LBPRGKRZSA-N -1 0 306.384 -0.067 20 0 DBADRM CC[C@@H]1CO[C@@H](CC)CN1C(=O)C(=O)N=c1nc(C)n(C)[n-]1 ZINC000651987563 411674456 /nfs/dbraw/zinc/67/44/56/411674456.db2.gz DWGRGRUFZCEZLZ-MNOVXSKESA-N -1 0 309.370 -0.100 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCC[C@@H]2CCCO2)cn1 ZINC000038095918 411682398 /nfs/dbraw/zinc/68/23/98/411682398.db2.gz VXTSAUISWSGFKR-VIFPVBQESA-N -1 0 303.340 -0.185 20 0 DBADRM CCNC(=O)C1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659055635 411687936 /nfs/dbraw/zinc/68/79/36/411687936.db2.gz LDJDBRSDWKWOPA-UHFFFAOYSA-N -1 0 320.305 -0.687 20 0 DBADRM COC[C@@H]1CCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659061470 411688720 /nfs/dbraw/zinc/68/87/20/411688720.db2.gz WGNJNAXZZPSOLW-VIFPVBQESA-N -1 0 324.337 -0.111 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CC(=O)N(C2CC2)C1 ZINC000659059927 411688913 /nfs/dbraw/zinc/68/89/13/411688913.db2.gz VZQOFLAVEWPBGK-UHFFFAOYSA-N -1 0 318.289 -0.491 20 0 DBADRM Cc1conc1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659066313 411689598 /nfs/dbraw/zinc/68/95/98/411689598.db2.gz QNOJRKFQYQJSOV-AMIZOPFISA-N -1 0 309.278 -0.519 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)CCOC[C@H]2CCCO2)[n-]n1 ZINC000650816094 411690020 /nfs/dbraw/zinc/69/00/20/411690020.db2.gz KAEVQJHVDRRDKS-SNVBAGLBSA-N -1 0 308.338 -0.218 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)N=c1ccc(C(=O)NC)n[n-]1 ZINC000650818258 411690472 /nfs/dbraw/zinc/69/04/72/411690472.db2.gz CJEVHBLZIGDHGK-UFBFGSQYSA-N -1 0 307.354 -0.253 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)c2cc3n(n2)CCCO3)[n-]n1 ZINC000650818651 411690918 /nfs/dbraw/zinc/69/09/18/411690918.db2.gz SMOFEAWXYSXIOC-UHFFFAOYSA-N -1 0 302.294 -0.511 20 0 DBADRM CC[C@H](C(=O)N=c1ccc(C(=O)NC)n[n-]1)N1CCCC1=O ZINC000650816693 411691030 /nfs/dbraw/zinc/69/10/30/411691030.db2.gz DCBZXDFPHNTMMP-SNVBAGLBSA-N -1 0 305.338 -0.402 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@H](CC(C)C)NC(C)=O)[n-]n1 ZINC000650817593 411691142 /nfs/dbraw/zinc/69/11/42/411691142.db2.gz HVGWKBTUDFOJFK-NSHDSACASA-N -1 0 307.354 -0.253 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)[n-]n1 ZINC000650815631 411691155 /nfs/dbraw/zinc/69/11/55/411691155.db2.gz YDQFKDUYQPECAJ-MRVPVSSYSA-N -1 0 303.322 -0.793 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1 ZINC000653281744 411703049 /nfs/dbraw/zinc/70/30/49/411703049.db2.gz YBHBFBHDZLNESZ-ZDUSSCGKSA-N -1 0 316.379 -0.099 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000396634296 411728883 /nfs/dbraw/zinc/72/88/83/411728883.db2.gz FCFUPXHGZYBCCM-UHFFFAOYSA-N -1 0 323.353 -0.796 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000653317505 411738284 /nfs/dbraw/zinc/73/82/84/411738284.db2.gz YUGSQBUOHBYVIR-MWLCHTKSSA-N -1 0 313.354 -0.517 20 0 DBADRM CCN1CCN(CC(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])C(=O)C1=O ZINC000653316781 411738304 /nfs/dbraw/zinc/73/83/04/411738304.db2.gz ZHOMSBWERUWWJV-UWVGGRQHSA-N -1 0 311.338 -0.859 20 0 DBADRM COC[C@@H](OC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000659147226 411738856 /nfs/dbraw/zinc/73/88/56/411738856.db2.gz ZEZGJXWHCQTKMX-VHSXEESVSA-N -1 0 304.343 -0.621 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000398860457 411741588 /nfs/dbraw/zinc/74/15/88/411741588.db2.gz QHAKAZIRPUAKGG-OUAUKWLOSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000398860459 411741781 /nfs/dbraw/zinc/74/17/81/411741781.db2.gz QHAKAZIRPUAKGG-VWYCJHECSA-N -1 0 318.395 -0.020 20 0 DBADRM CCC[C@H](NC(=O)[C@H]1CCCS(=O)(=O)C1)c1nnn[n-]1 ZINC000651461591 411745757 /nfs/dbraw/zinc/74/57/57/411745757.db2.gz CKILVWOQQWNKSE-IUCAKERBSA-N -1 0 301.372 -0.018 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652050654 411752432 /nfs/dbraw/zinc/75/24/32/411752432.db2.gz IZXDUALHEFKPEX-QWRGUYRKSA-N -1 0 312.347 -0.510 20 0 DBADRM O=C([O-])C1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CCCCCC1 ZINC000652067492 411753283 /nfs/dbraw/zinc/75/32/83/411753283.db2.gz ZXAVNIBLQLUEDI-VIFPVBQESA-N -1 0 304.368 -0.028 20 0 DBADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000652070243 411753525 /nfs/dbraw/zinc/75/35/25/411753525.db2.gz OBJLIHHSGADDTB-BXKDBHETSA-N -1 0 304.368 -0.363 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000652070281 411753570 /nfs/dbraw/zinc/75/35/70/411753570.db2.gz QGGOKCBDVPNRMN-JOYOIKCWSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccccc1F ZINC000652062575 411753615 /nfs/dbraw/zinc/75/36/15/411753615.db2.gz OQDYAXLQZUKVSF-VHSXEESVSA-N -1 0 316.310 -0.241 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccccc1F ZINC000652062574 411753668 /nfs/dbraw/zinc/75/36/68/411753668.db2.gz OQDYAXLQZUKVSF-UWVGGRQHSA-N -1 0 316.310 -0.241 20 0 DBADRM O=C([O-])c1cccc2c1CN(C(=O)[C@H]1CCS(=O)(=O)N1)CC2 ZINC000652075036 411753742 /nfs/dbraw/zinc/75/37/42/411753742.db2.gz XVZQYYZXGCOTPH-GFCCVEGCSA-N -1 0 324.358 -0.039 20 0 DBADRM C[C@@](NC(=O)[C@H]1CCS(=O)(=O)N1)(C(=O)[O-])c1ccccc1 ZINC000652056068 411754121 /nfs/dbraw/zinc/75/41/21/411754121.db2.gz VEDKZUNFQQZNHX-MFKMUULPSA-N -1 0 312.347 -0.206 20 0 DBADRM CC(C)C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)CC(=O)[O-] ZINC000652089722 411757133 /nfs/dbraw/zinc/75/71/33/411757133.db2.gz JFAMWVOWHLVRJC-VHSXEESVSA-N -1 0 306.384 -0.069 20 0 DBADRM C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H](C(=O)[O-])O1 ZINC000652112196 411758398 /nfs/dbraw/zinc/75/83/98/411758398.db2.gz RUGBJDCHDPRELG-RKDXNWHRSA-N -1 0 305.352 -0.346 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)[n-]1 ZINC000651603166 411762384 /nfs/dbraw/zinc/76/23/84/411762384.db2.gz PFKWASDSXZLLKA-SNVBAGLBSA-N -1 0 322.369 -0.655 20 0 DBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cn[nH]n1 ZINC000047623801 411762419 /nfs/dbraw/zinc/76/24/19/411762419.db2.gz JLVHUHJKBYACTN-UHFFFAOYSA-N -1 0 309.351 -0.015 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@H]2C[C@H](C)O)[n-]1 ZINC000651634742 411766392 /nfs/dbraw/zinc/76/63/92/411766392.db2.gz AHIMLADBSOZGRX-QWRGUYRKSA-N -1 0 309.370 -0.019 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000659169511 411766525 /nfs/dbraw/zinc/76/65/25/411766525.db2.gz DKVSRUSWQINTHG-GRYCIOLGSA-N -1 0 310.350 -0.007 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)[n-]1 ZINC000651684993 411769882 /nfs/dbraw/zinc/76/98/82/411769882.db2.gz FBAXPDFYNFVHFI-VHSXEESVSA-N -1 0 322.369 -0.668 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCSC[C@@H]2CO)[n-]1 ZINC000651714026 411771343 /nfs/dbraw/zinc/77/13/43/411771343.db2.gz NCTCRWUWPLXSNM-VIFPVBQESA-N -1 0 313.383 -0.844 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)N(CC(=O)[O-])CC2CC2)CC1 ZINC000653326089 411772249 /nfs/dbraw/zinc/77/22/49/411772249.db2.gz SIZSLKKIKPTXQQ-UHFFFAOYSA-N -1 0 319.383 -0.775 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N[C@H](CO)CC2CCC2)[n-]1 ZINC000651764488 411773172 /nfs/dbraw/zinc/77/31/72/411773172.db2.gz BLACXRJMUWBVCV-NSHDSACASA-N -1 0 309.370 -0.113 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)[n-]1 ZINC000651825236 411777353 /nfs/dbraw/zinc/77/73/53/411777353.db2.gz IZWIIQMJYWQTKQ-PHIMTYICSA-N -1 0 308.386 -0.230 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)NC[C@@]2(O)CCC[C@@H]2C)[n-]1 ZINC000651827199 411777968 /nfs/dbraw/zinc/77/79/68/411777968.db2.gz XYUARIKLXKENPU-HZMBPMFUSA-N -1 0 309.370 -0.113 20 0 DBADRM NC(=O)c1ccc(OCC(=O)NCCCc2cc(=O)[nH][nH]2)cc1 ZINC000647717440 411794211 /nfs/dbraw/zinc/79/42/11/411794211.db2.gz IKBDRHDEBJNCIW-UHFFFAOYSA-N -1 0 318.333 -0.063 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000653300867 411724464 /nfs/dbraw/zinc/72/44/64/411724464.db2.gz FTCKHAMBZNJWJX-GFCCVEGCSA-N -1 0 304.368 -0.147 20 0 DBADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@H]1CCS(=O)(=O)N1 ZINC000651235851 411725124 /nfs/dbraw/zinc/72/51/24/411725124.db2.gz MEXLLEKXXQMQGU-SECBINFHSA-N -1 0 324.318 -0.340 20 0 DBADRM CN(C)C(=O)Cn1ccc(=NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)[nH]1 ZINC000653303687 411725660 /nfs/dbraw/zinc/72/56/60/411725660.db2.gz XMATXQCSBVGAOW-ZJUUUORDSA-N -1 0 308.338 -0.167 20 0 DBADRM C[C@@H]1CN(C[C@H](O)CN2CCOC[C@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000652358610 411795570 /nfs/dbraw/zinc/79/55/70/411795570.db2.gz XCNKKJCGMQJIFU-NDBYEHHHSA-N -1 0 302.371 -0.758 20 0 DBADRM CC(CO)(CO)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000652344874 411796515 /nfs/dbraw/zinc/79/65/15/411796515.db2.gz MXVLQRCKEAFSGN-UHFFFAOYSA-N -1 0 308.294 -0.843 20 0 DBADRM C[C@@H]1CN(C[C@H](O)CN2CCOC[C@@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000652358609 411796527 /nfs/dbraw/zinc/79/65/27/411796527.db2.gz XCNKKJCGMQJIFU-FVCCEPFGSA-N -1 0 302.371 -0.758 20 0 DBADRM CCC(=O)C[C@@H](NS(=O)(=O)c1c(C)onc1N)C(=O)[O-] ZINC000584414132 411803245 /nfs/dbraw/zinc/80/32/45/411803245.db2.gz JCCKYMGOXWBAMD-SSDOTTSWSA-N -1 0 305.312 -0.334 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(Cc2nnnn2CC(F)(F)F)C1 ZINC000652477315 411803938 /nfs/dbraw/zinc/80/39/38/411803938.db2.gz QCYOLTWMFMHKBI-RQJHMYQMSA-N -1 0 309.248 -0.091 20 0 DBADRM C[C@H](COCC1CC1)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000652655654 411810110 /nfs/dbraw/zinc/81/01/10/411810110.db2.gz JLVRJVNSTLODRZ-KOLCDFICSA-N -1 0 314.338 -0.770 20 0 DBADRM Cc1nn(CC(=O)NCc2ccc(C(=O)[O-])cc2)c(=O)n1C ZINC000655535174 411812071 /nfs/dbraw/zinc/81/20/71/411812071.db2.gz VAKRJVLUWBBAHA-UHFFFAOYSA-N -1 0 304.306 -0.095 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000653341939 411815687 /nfs/dbraw/zinc/81/56/87/411815687.db2.gz PARYVKLGERWMQB-MRVPVSSYSA-N -1 0 318.355 -0.980 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000647782373 411817892 /nfs/dbraw/zinc/81/78/92/411817892.db2.gz JFZQGRBJFKBDOC-UHFFFAOYSA-N -1 0 308.298 -0.269 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)CCCOC ZINC000653345385 411818054 /nfs/dbraw/zinc/81/80/54/411818054.db2.gz RBQGDIGCJUJGHS-VIFPVBQESA-N -1 0 310.372 -0.736 20 0 DBADRM COC[C@](C)(O)CCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659404892 411822099 /nfs/dbraw/zinc/82/20/99/411822099.db2.gz QYSUUWVQELFENT-LERXQTSPSA-N -1 0 316.354 -0.484 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)CS1(=O)=O ZINC000659414639 411824209 /nfs/dbraw/zinc/82/42/09/411824209.db2.gz VRKCBXQECKYCRC-UTLUCORTSA-N -1 0 320.367 -0.553 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000659423541 411824891 /nfs/dbraw/zinc/82/48/91/411824891.db2.gz MTOFWZRDXOWUEI-UHFFFAOYSA-N -1 0 322.369 -0.098 20 0 DBADRM C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)nc1)C(=O)[O-] ZINC000655558173 411833149 /nfs/dbraw/zinc/83/31/49/411833149.db2.gz DUQFJGYRYBCOCN-QMMMGPOBSA-N -1 0 315.351 -0.218 20 0 DBADRM C[C@H](CNC(=O)CCNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000655559759 411834024 /nfs/dbraw/zinc/83/40/24/411834024.db2.gz OYAQIYBBNNKSGL-SECBINFHSA-N -1 0 315.351 -0.413 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655568462 411834541 /nfs/dbraw/zinc/83/45/41/411834541.db2.gz KPGSEEWYHQEACP-LLVKDONJSA-N -1 0 315.370 -0.508 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)C(=O)[O-])cn1 ZINC000655560251 411834905 /nfs/dbraw/zinc/83/49/05/411834905.db2.gz RXSIFLIAHVUFQB-ZETCQYMHSA-N -1 0 301.324 -0.560 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655582386 411835672 /nfs/dbraw/zinc/83/56/72/411835672.db2.gz XGFFKJDAAKJCNW-HRDYMLBCSA-N -1 0 306.384 -0.213 20 0 DBADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)C1(n2cnnn2)CCOCC1 ZINC000659243965 411836312 /nfs/dbraw/zinc/83/63/12/411836312.db2.gz XLHMKXDPXBMLCO-MFKMUULPSA-N -1 0 323.353 -0.062 20 0 DBADRM Cn1nnc2c1CC[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)C2 ZINC000655586768 411836921 /nfs/dbraw/zinc/83/69/21/411836921.db2.gz YESPJTDNPUUHIC-ZETCQYMHSA-N -1 0 302.294 -0.409 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000655599132 411836964 /nfs/dbraw/zinc/83/69/64/411836964.db2.gz KKSYZICOGHCJGI-SNVBAGLBSA-N -1 0 315.351 -0.867 20 0 DBADRM CC[C@@H](COC)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659645951 411857481 /nfs/dbraw/zinc/85/74/81/411857481.db2.gz CYTDRYMSQMYEKV-ISTVAULSSA-N -1 0 314.338 -0.913 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCO[C@@H]2CC2(F)F)C1 ZINC000659662546 411859109 /nfs/dbraw/zinc/85/91/09/411859109.db2.gz GNRBNORKFGSQNJ-JGVFFNPUSA-N -1 0 306.265 -0.540 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@H]3COC[C@H]3C2)CCC1 ZINC000659672062 411860056 /nfs/dbraw/zinc/86/00/56/411860056.db2.gz PAXILZAFLBUSCE-WDEREUQCSA-N -1 0 310.350 -0.148 20 0 DBADRM CCN(C(=O)CNS(=O)(=O)CCOC(C)C)[C@H](C)C(=O)[O-] ZINC000659772427 411888000 /nfs/dbraw/zinc/88/80/00/411888000.db2.gz ZECKXEALACDDNX-SNVBAGLBSA-N -1 0 324.399 -0.348 20 0 DBADRM CC(C)[C@H](CNC(=O)NCCCCS(N)(=O)=O)C(=O)[O-] ZINC000312624478 411911910 /nfs/dbraw/zinc/91/19/10/411911910.db2.gz JXQDRAIEQMRTRM-VIFPVBQESA-N -1 0 309.388 -0.289 20 0 DBADRM CC(C)Oc1ccc(=NC(=O)Cn2cnc(C(N)=O)n2)[n-]n1 ZINC000649946292 411924721 /nfs/dbraw/zinc/92/47/21/411924721.db2.gz JGEPDAXKLKACOP-UHFFFAOYSA-N -1 0 305.298 -0.985 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCCC(=O)N(C)C)C1 ZINC000387518328 411927129 /nfs/dbraw/zinc/92/71/29/411927129.db2.gz WEZOYPVIMUDQLN-ZDUSSCGKSA-N -1 0 301.343 -0.403 20 0 DBADRM CCN(C(=O)N=c1ncn(CC(=O)N(C)C)[n-]1)[C@@H]1CCCOC1 ZINC000650054840 411927416 /nfs/dbraw/zinc/92/74/16/411927416.db2.gz RAUBREXOAKGSKE-LLVKDONJSA-N -1 0 324.385 -0.179 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])n1 ZINC000653496132 411869703 /nfs/dbraw/zinc/86/97/03/411869703.db2.gz FZBMRBRIOCMVES-SNVBAGLBSA-N -1 0 310.335 -0.211 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1COCCO1 ZINC000055312189 411872502 /nfs/dbraw/zinc/87/25/02/411872502.db2.gz UDGFQFRNEPMDJO-QMMMGPOBSA-N -1 0 305.308 -0.020 20 0 DBADRM COC[C@@](C)(NC(=O)NCc1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC000653531423 411878136 /nfs/dbraw/zinc/87/81/36/411878136.db2.gz JMNOMYIZEFXUHX-GFCCVEGCSA-N -1 0 314.346 -0.283 20 0 DBADRM COC[C@](C)(NC(=O)NCc1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC000653531424 411878268 /nfs/dbraw/zinc/87/82/68/411878268.db2.gz JMNOMYIZEFXUHX-LBPRGKRZSA-N -1 0 314.346 -0.283 20 0 DBADRM CC(C)(C)[C@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400319803 411884180 /nfs/dbraw/zinc/88/41/80/411884180.db2.gz XPUARDNNEGBTDE-DTWKUNHWSA-N -1 0 321.399 -0.181 20 0 DBADRM C[C@H](CNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000655869421 411974923 /nfs/dbraw/zinc/97/49/23/411974923.db2.gz DORANKGELWTVAY-PSASIEDQSA-N -1 0 309.326 -0.455 20 0 DBADRM C[C@H](CNC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)C(=O)[O-] ZINC000655870352 411975100 /nfs/dbraw/zinc/97/51/00/411975100.db2.gz XGCUFOCZQLMMRE-ZJUUUORDSA-N -1 0 323.353 -0.065 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000655860418 411975194 /nfs/dbraw/zinc/97/51/94/411975194.db2.gz IFAZRNGDGUDXLX-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H](CNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000655869424 411975209 /nfs/dbraw/zinc/97/52/09/411975209.db2.gz DORANKGELWTVAY-WPRPVWTQSA-N -1 0 309.326 -0.455 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655880997 411975711 /nfs/dbraw/zinc/97/57/11/411975711.db2.gz ZXFHNHDAUYZTIY-VHSXEESVSA-N -1 0 323.415 -0.030 20 0 DBADRM C[C@H](CNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)C(=O)[O-] ZINC000655888718 411975886 /nfs/dbraw/zinc/97/58/86/411975886.db2.gz NLQKYNUCLJUVEQ-NXEZZACHSA-N -1 0 321.399 -0.322 20 0 DBADRM C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000655877209 411975929 /nfs/dbraw/zinc/97/59/29/411975929.db2.gz YFYLHEUTSXLQOH-OPRDCNLKSA-N -1 0 321.399 -0.276 20 0 DBADRM C[C@H](CNC(=O)N1CCCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000655888420 411975964 /nfs/dbraw/zinc/97/59/64/411975964.db2.gz KOFWHAYJCUILGP-SECBINFHSA-N -1 0 307.372 -0.616 20 0 DBADRM C[C@H](CNC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000655877210 411976035 /nfs/dbraw/zinc/97/60/35/411976035.db2.gz YFYLHEUTSXLQOH-UTLUCORTSA-N -1 0 321.399 -0.276 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC[C@H](C)C(=O)[O-] ZINC000655885588 411976073 /nfs/dbraw/zinc/97/60/73/411976073.db2.gz RULYTUHJGQLERL-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](C)C(=O)[O-])CC2 ZINC000655874250 411976133 /nfs/dbraw/zinc/97/61/33/411976133.db2.gz WJECKDHAROFQDK-RKDXNWHRSA-N -1 0 311.342 -0.241 20 0 DBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000655884576 411976644 /nfs/dbraw/zinc/97/66/44/411976644.db2.gz NFRDHQBAWVRAOC-QJPTWQEYSA-N -1 0 318.370 -0.238 20 0 DBADRM C[C@H](CNC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000655879378 411976658 /nfs/dbraw/zinc/97/66/58/411976658.db2.gz QCHUBZGWBDENAK-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H](CNC(=O)N1CCN(c2nc(N)ns2)CC1)C(=O)[O-] ZINC000655889608 411976713 /nfs/dbraw/zinc/97/67/13/411976713.db2.gz UHRPXRGMXRAHFR-ZETCQYMHSA-N -1 0 314.371 -0.327 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CC[C@@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000655897281 411978152 /nfs/dbraw/zinc/97/81/52/411978152.db2.gz MEUSDNSETBAAGI-RKDXNWHRSA-N -1 0 307.372 -0.584 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CC[C@@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000655897278 411978855 /nfs/dbraw/zinc/97/88/55/411978855.db2.gz MEUSDNSETBAAGI-BDAKNGLRSA-N -1 0 307.372 -0.584 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1cncnc1N(C)C)C(=O)[O-] ZINC000655947048 411979528 /nfs/dbraw/zinc/97/95/28/411979528.db2.gz KBXFHFWQQVGQAF-VIFPVBQESA-N -1 0 323.353 -0.046 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H](C)c1nnc2ccccn21)C(=O)[O-] ZINC000655979016 411981542 /nfs/dbraw/zinc/98/15/42/411981542.db2.gz WWFMEXQNMANRMP-BDAKNGLRSA-N -1 0 319.321 -0.257 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCc1cnn(C)c1)C(=O)[O-] ZINC000655980049 411981661 /nfs/dbraw/zinc/98/16/61/411981661.db2.gz BWRJBGTZZZRFMT-NSHDSACASA-N -1 0 310.354 -0.448 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCCc1cnn(C)c1)C(=O)[O-] ZINC000655984286 411981747 /nfs/dbraw/zinc/98/17/47/411981747.db2.gz MSMKUHUTWHRUTJ-GFCCVEGCSA-N -1 0 324.381 -0.058 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000655974647 411982027 /nfs/dbraw/zinc/98/20/27/411982027.db2.gz DTQAVTLALURUNP-MRVPVSSYSA-N -1 0 308.290 -0.132 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCCn1cccn1)C(=O)[O-] ZINC000655977096 411982490 /nfs/dbraw/zinc/98/24/90/411982490.db2.gz CEFAYWLRJVXUSD-NSHDSACASA-N -1 0 310.354 -0.138 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1COc2ccccc2C1)C(=O)[O-] ZINC000655981591 411982522 /nfs/dbraw/zinc/98/25/22/411982522.db2.gz NFVCGDUBJJHRDT-ONGXEEELSA-N -1 0 306.318 -0.057 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCCOC[C@@H]1CCCO1)C(=O)[O-] ZINC000655978875 411982528 /nfs/dbraw/zinc/98/25/28/411982528.db2.gz WGMZMPUIAVGWQF-MNOVXSKESA-N -1 0 316.354 -0.475 20 0 DBADRM C[C@H](CNC(=O)C(=O)NC[C@H]1COc2ccccc2O1)C(=O)[O-] ZINC000655977223 411982538 /nfs/dbraw/zinc/98/25/38/411982538.db2.gz FUPKKNSZMYZJII-ZJUUUORDSA-N -1 0 322.317 -0.221 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCc1cn2c(n1)CCCC2)C(=O)[O-] ZINC000655982523 411982544 /nfs/dbraw/zinc/98/25/44/411982544.db2.gz VZOXODDZIPRTGY-JTQLQIEISA-N -1 0 322.365 -0.285 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCCN1CCCCC1=O)C(=O)[O-] ZINC000655984493 411982558 /nfs/dbraw/zinc/98/25/58/411982558.db2.gz OUNUYCDFXALBPD-JTQLQIEISA-N -1 0 313.354 -0.658 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(C)C1=O)C(=O)[O-] ZINC000655988390 411982887 /nfs/dbraw/zinc/98/28/87/411982887.db2.gz QIFZSEAFPWFOEH-ZJUUUORDSA-N -1 0 313.354 -0.804 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1ccn2ccnc2c1)C(=O)[O-] ZINC000655988799 411983008 /nfs/dbraw/zinc/98/30/08/411983008.db2.gz UWTGUJIHBBCOBV-SECBINFHSA-N -1 0 304.306 -0.213 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)OC ZINC000655994455 411983302 /nfs/dbraw/zinc/98/33/02/411983302.db2.gz RSPBEZCMXSWOOE-ZJUUUORDSA-N -1 0 304.343 -0.763 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCc1ccn(C)n1)C(=O)[O-] ZINC000655993742 411983733 /nfs/dbraw/zinc/98/37/33/411983733.db2.gz PMCIAYAQZVAPEL-NSHDSACASA-N -1 0 310.354 -0.448 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C)C(=O)[O-] ZINC000656000053 411983749 /nfs/dbraw/zinc/98/37/49/411983749.db2.gz QTMUYHNCEOBMDB-MWLCHTKSSA-N -1 0 324.337 -0.843 20 0 DBADRM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655989992 411983836 /nfs/dbraw/zinc/98/38/36/411983836.db2.gz GEZZCEPCJGNTOK-RKDXNWHRSA-N -1 0 324.381 -0.079 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)[O-] ZINC000655993200 411983852 /nfs/dbraw/zinc/98/38/52/411983852.db2.gz LHCVTDLXLQYFLE-RKDXNWHRSA-N -1 0 313.354 -0.661 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1)C(=O)[O-] ZINC000655991540 411983887 /nfs/dbraw/zinc/98/38/87/411983887.db2.gz XRUNOYYELGJUBG-MNOVXSKESA-N -1 0 320.349 -0.387 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCC(=O)N1)C(=O)[O-] ZINC000655995849 411983905 /nfs/dbraw/zinc/98/39/05/411983905.db2.gz JFRRRTASRRXMDW-YMTOWFKASA-N -1 0 313.354 -0.756 20 0 DBADRM CO[C@@H]1[C@H](C)[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1(C)C ZINC000655994621 411983944 /nfs/dbraw/zinc/98/39/44/411983944.db2.gz UDYHBSTYKICDFL-DOLQZWNJSA-N -1 0 300.355 -0.001 20 0 DBADRM Cc1nnc([C@@H]2CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C2)[nH]1 ZINC000656002203 411984357 /nfs/dbraw/zinc/98/43/57/411984357.db2.gz WPTJWMFJQCZTAT-PSASIEDQSA-N -1 0 323.353 -0.344 20 0 DBADRM CCn1ccc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)n1 ZINC000655998254 411984733 /nfs/dbraw/zinc/98/47/33/411984733.db2.gz WDRDWLXIDLYNTO-LLVKDONJSA-N -1 0 310.354 -0.008 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C[C@H](C)O1 ZINC000655999724 411984891 /nfs/dbraw/zinc/98/48/91/411984891.db2.gz IZWHGBIGFYYGLW-GUBZILKMSA-N -1 0 302.327 -0.914 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@H](N2CCCC2=O)C1)C(=O)[O-] ZINC000656001972 411985093 /nfs/dbraw/zinc/98/50/93/411985093.db2.gz QPEAXNFGCAHYNA-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1)C(=O)[O-] ZINC000656000442 411985837 /nfs/dbraw/zinc/98/58/37/411985837.db2.gz TTZCUZUPKZIODJ-WKEGUHRASA-N -1 0 312.244 -0.651 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1)C(=O)[O-] ZINC000656006974 411986520 /nfs/dbraw/zinc/98/65/20/411986520.db2.gz ZNPKEEYSWVGLMO-QWRGUYRKSA-N -1 0 322.365 -0.352 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCc2c[nH]nc2C1)C(=O)[O-] ZINC000656007952 411986525 /nfs/dbraw/zinc/98/65/25/411986525.db2.gz CCAFRUQXWYWVFN-SNVBAGLBSA-N -1 0 308.338 -0.233 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](CO)C1)C(=O)[O-] ZINC000656011210 411986814 /nfs/dbraw/zinc/98/68/14/411986814.db2.gz WLDSIICBYKQQLV-QWRGUYRKSA-N -1 0 300.355 -0.310 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H](C)O)C1)C(=O)[O-] ZINC000656008297 411986829 /nfs/dbraw/zinc/98/68/29/411986829.db2.gz HVJCBZMTWAAESI-DCAQKATOSA-N -1 0 300.355 -0.311 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1)C(=O)[O-] ZINC000656009001 411986843 /nfs/dbraw/zinc/98/68/43/411986843.db2.gz PJFWWYWJKAIZMK-NXEZZACHSA-N -1 0 313.354 -0.852 20 0 DBADRM COC[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000656009058 411986920 /nfs/dbraw/zinc/98/69/20/411986920.db2.gz QPFVZZHHMCTTEF-MNOVXSKESA-N -1 0 300.355 -0.046 20 0 DBADRM COCCOC1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000656004736 411986925 /nfs/dbraw/zinc/98/69/25/411986925.db2.gz QWNKIEJIFLFFDW-SNVBAGLBSA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CCO1 ZINC000656014238 411986959 /nfs/dbraw/zinc/98/69/59/411986959.db2.gz VCYKVYQCNQVIKG-GHMZBOCLSA-N -1 0 316.354 -0.667 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C2 ZINC000656013418 411987030 /nfs/dbraw/zinc/98/70/30/411987030.db2.gz PBMBAIUSCLLTRG-JTQLQIEISA-N -1 0 323.353 -0.598 20 0 DBADRM COC[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000656009057 411987052 /nfs/dbraw/zinc/98/70/52/411987052.db2.gz QPFVZZHHMCTTEF-GHMZBOCLSA-N -1 0 300.355 -0.046 20 0 DBADRM COCCN(Cc1cccnc1)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000656007907 411987158 /nfs/dbraw/zinc/98/71/58/411987158.db2.gz OJEIBHXTAABRDL-LLVKDONJSA-N -1 0 323.349 -0.107 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000656014464 411987163 /nfs/dbraw/zinc/98/71/63/411987163.db2.gz UXLBXHDFHMXXPM-IINYFYTJSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCO[C@H](CF)C1)C(=O)[O-] ZINC000656008733 411987207 /nfs/dbraw/zinc/98/72/07/411987207.db2.gz YNFXFBIUGCUUIJ-ZJUUUORDSA-N -1 0 304.318 -0.344 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1)C(=O)[O-] ZINC000656009097 411987352 /nfs/dbraw/zinc/98/73/52/411987352.db2.gz RLQGCTUNIDPUGX-YMTOWFKASA-N -1 0 313.354 -0.817 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000068688453 412020005 /nfs/dbraw/zinc/02/00/05/412020005.db2.gz QORQGTKJSZCKOC-GHMZBOCLSA-N -1 0 300.355 -0.046 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N(C)Cc1cnn(C)c1)C(=O)[O-] ZINC000656012877 411989147 /nfs/dbraw/zinc/98/91/47/411989147.db2.gz JROKZAVVWSXQBG-NSHDSACASA-N -1 0 310.354 -0.149 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])cc1C(N)=O ZINC000656163369 411997666 /nfs/dbraw/zinc/99/76/66/411997666.db2.gz WJKGPHUATCBLAW-SSDOTTSWSA-N -1 0 307.303 -0.785 20 0 DBADRM Cc1noc(CN(C)S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000656182223 411998567 /nfs/dbraw/zinc/99/85/67/411998567.db2.gz VZFUHRPHGZWFQW-SECBINFHSA-N -1 0 318.355 -0.149 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000656247329 412000092 /nfs/dbraw/zinc/00/00/92/412000092.db2.gz IIQPQOSWFWXJIQ-UWVGGRQHSA-N -1 0 309.326 -0.904 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000656514183 412006919 /nfs/dbraw/zinc/00/69/19/412006919.db2.gz LYRRCOOTRDPELD-MNOVXSKESA-N -1 0 306.384 -0.270 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC(OC)CC1 ZINC000656515265 412007006 /nfs/dbraw/zinc/00/70/06/412007006.db2.gz MRDRYRZMCFOFPV-JTQLQIEISA-N -1 0 310.372 -0.627 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000656514052 412007197 /nfs/dbraw/zinc/00/71/97/412007197.db2.gz IVNLMHQOAHWMLH-GARJFASQSA-N -1 0 309.384 -0.101 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000656526392 412007238 /nfs/dbraw/zinc/00/72/38/412007238.db2.gz RJOQLMYXRQCXHO-GARJFASQSA-N -1 0 306.384 -0.222 20 0 DBADRM COC1CCN(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])CC1 ZINC000656515558 412007619 /nfs/dbraw/zinc/00/76/19/412007619.db2.gz UMDZLQYOHLWDML-SNVBAGLBSA-N -1 0 308.356 -0.873 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CC2(CCCC2)[C@@H]1C(=O)[O-] ZINC000656526880 412007624 /nfs/dbraw/zinc/00/76/24/412007624.db2.gz DCLPMFIYMZJXFI-VIFPVBQESA-N -1 0 300.340 -0.167 20 0 DBADRM O=C([O-])[C@]1(CC(=O)NCC[C@]2(O)CCCOC2)CCOC1 ZINC000656483722 412007630 /nfs/dbraw/zinc/00/76/30/412007630.db2.gz DCNVMBBBSUZCMS-UONOGXRCSA-N -1 0 301.339 -0.084 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-] ZINC000656512383 412007705 /nfs/dbraw/zinc/00/77/05/412007705.db2.gz KBNDGLBRMOMJBY-NSHDSACASA-N -1 0 322.383 -0.246 20 0 DBADRM CCn1cc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC000656562770 412008641 /nfs/dbraw/zinc/00/86/41/412008641.db2.gz TYYZHXMAEWJJJD-BXKDBHETSA-N -1 0 315.351 -0.375 20 0 DBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000656562599 412008646 /nfs/dbraw/zinc/00/86/46/412008646.db2.gz KNLGVFVMTRQJBR-GFCCVEGCSA-N -1 0 316.335 -0.792 20 0 DBADRM NC(=O)c1ccc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC000656602723 412010413 /nfs/dbraw/zinc/01/04/13/412010413.db2.gz NIALNBBFGZFSII-XLKFXECMSA-N -1 0 320.305 -0.255 20 0 DBADRM COC[C@@](C)(NC(=O)NCc1nc(C(N)=O)cs1)C(=O)[O-] ZINC000656597777 412011139 /nfs/dbraw/zinc/01/11/39/412011139.db2.gz OHFLJIKMNDJJMV-LLVKDONJSA-N -1 0 316.339 -0.469 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)CCC[C@H]2CCOC2)CCOC1 ZINC000656564438 412011162 /nfs/dbraw/zinc/01/11/62/412011162.db2.gz NDGBINIQOWQHAL-JQWIXIFHSA-N -1 0 307.368 -0.034 20 0 DBADRM CN(CCCNC(=O)N1CC2CC1(C(=O)[O-])C2)S(C)(=O)=O ZINC000656579837 412011200 /nfs/dbraw/zinc/01/12/00/412011200.db2.gz XIAJNLBOCHUNBM-UHFFFAOYSA-N -1 0 319.383 -0.474 20 0 DBADRM Cn1cc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1=O ZINC000656601738 412011260 /nfs/dbraw/zinc/01/12/60/412011260.db2.gz IPQRETMTXUGZHX-YMTOWFKASA-N -1 0 307.306 -0.050 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1)[C@@H]1CCOC1 ZINC000656564688 412011308 /nfs/dbraw/zinc/01/13/08/412011308.db2.gz VGCBAEMVTUWKSX-FOGDFJRCSA-N -1 0 323.367 -0.799 20 0 DBADRM CN(C[C@@H]1COCCO1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000656721019 412012126 /nfs/dbraw/zinc/01/21/26/412012126.db2.gz INCRHVGMFKOEDX-NXEZZACHSA-N -1 0 308.356 -0.873 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@@H]1CCOC1 ZINC000656716403 412012153 /nfs/dbraw/zinc/01/21/53/412012153.db2.gz FXIQVELBNDJHDA-APPZFPTMSA-N -1 0 319.339 -0.562 20 0 DBADRM C[C@@]12COC[C@H]1CN(S(=O)(=O)c1n[nH]cc1C(=O)[O-])C2 ZINC000656733035 412012168 /nfs/dbraw/zinc/01/21/68/412012168.db2.gz ZKXWWVNRMNJWIH-RDDDGLTNSA-N -1 0 301.324 -0.235 20 0 DBADRM COC[C@H](CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1)OC ZINC000656717718 412012365 /nfs/dbraw/zinc/01/23/65/412012365.db2.gz NQOSIYCEARXKCO-VIFPVBQESA-N -1 0 321.355 -0.703 20 0 DBADRM CCn1cc(CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)nn1 ZINC000656720826 412012449 /nfs/dbraw/zinc/01/24/49/412012449.db2.gz FTBWIWSXMLZMGE-UHFFFAOYSA-N -1 0 311.323 -0.130 20 0 DBADRM CN(C[C@H]1COCCO1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000656721310 412012737 /nfs/dbraw/zinc/01/27/37/412012737.db2.gz LCCKMGCFYFHJFQ-VIFPVBQESA-N -1 0 319.339 -0.996 20 0 DBADRM C[C@@H]1CN(c2cncc(C(=O)[O-])n2)CCN1S(C)(=O)=O ZINC000656785617 412012746 /nfs/dbraw/zinc/01/27/46/412012746.db2.gz YVRXYTRMKXOZKS-MRVPVSSYSA-N -1 0 300.340 -0.355 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000656716683 412012764 /nfs/dbraw/zinc/01/27/64/412012764.db2.gz HZBKANGPFIFPHB-JTQLQIEISA-N -1 0 317.371 -0.749 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000656851150 412013911 /nfs/dbraw/zinc/01/39/11/412013911.db2.gz DTOXZYXWTXVGBB-PRHODGIISA-N -1 0 304.368 -0.363 20 0 DBADRM O=C1CNC(=O)N1CCCNS(=O)(=O)c1ccccc1[O-] ZINC000656898803 412016560 /nfs/dbraw/zinc/01/65/60/412016560.db2.gz XTAMDCDNEDHWMW-UHFFFAOYSA-N -1 0 313.335 -0.388 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000654853669 411952554 /nfs/dbraw/zinc/95/25/54/411952554.db2.gz GNNUSXZZJYIGTK-OAHLLOKOSA-N -1 0 315.333 -0.026 20 0 DBADRM NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ncc[nH]2)c1 ZINC000311669450 412036279 /nfs/dbraw/zinc/03/62/79/412036279.db2.gz HBVCVTICTAJLDQ-UHFFFAOYSA-N -1 0 302.337 -0.142 20 0 DBADRM CCN1CC[C@@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])C1=O ZINC000659059871 412076811 /nfs/dbraw/zinc/07/68/11/412076811.db2.gz UDEDHMPABYUORA-SECBINFHSA-N -1 0 320.305 -0.545 20 0 DBADRM CCN1C[C@@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1=O ZINC000659061126 412076835 /nfs/dbraw/zinc/07/68/35/412076835.db2.gz PTJLYBFJPOFGIT-QMMMGPOBSA-N -1 0 320.305 -0.545 20 0 DBADRM CN1CCC[C@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])C1=O ZINC000659053791 412076923 /nfs/dbraw/zinc/07/69/23/412076923.db2.gz KSXUVUVCNVTUJV-VIFPVBQESA-N -1 0 320.305 -0.545 20 0 DBADRM CCN(C(=O)C(=O)Nc1cccnc1C(=O)[O-])[C@H]1CCNC1=O ZINC000659058961 412076985 /nfs/dbraw/zinc/07/69/85/412076985.db2.gz OTWYJCQMASOQRE-VIFPVBQESA-N -1 0 320.305 -0.545 20 0 DBADRM CC(C)C(=O)NCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659056916 412077044 /nfs/dbraw/zinc/07/70/44/412077044.db2.gz VJPAMLLHLWQNTI-UHFFFAOYSA-N -1 0 322.321 -0.393 20 0 DBADRM CC(C)NC(=O)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659056593 412077242 /nfs/dbraw/zinc/07/72/42/412077242.db2.gz ONSRUJODXMBRIZ-UHFFFAOYSA-N -1 0 308.294 -0.641 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc3nccn3c2)CCO1 ZINC000659060869 412077508 /nfs/dbraw/zinc/07/75/08/412077508.db2.gz FBDNISMKVPMUTQ-JTQLQIEISA-N -1 0 318.289 -0.415 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000659055655 412076488 /nfs/dbraw/zinc/07/64/88/412076488.db2.gz ZSMYIPXZSGPXKQ-WCBMZHEXSA-N -1 0 307.306 -0.005 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])S1(=O)=O ZINC000659243926 412083648 /nfs/dbraw/zinc/08/36/48/412083648.db2.gz XEOSOMWVIJKSTL-LNLATYFQSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CN1CCCS1(=O)=O ZINC000659234607 412084066 /nfs/dbraw/zinc/08/40/66/412084066.db2.gz ASJVXLQVIJLPRH-JOYOIKCWSA-N -1 0 304.368 -0.219 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000659064447 412077795 /nfs/dbraw/zinc/07/77/95/412077795.db2.gz HXJJUIARHYQICL-UHFFFAOYSA-N -1 0 321.333 -0.105 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O)C(=O)[O-] ZINC000659063514 412078217 /nfs/dbraw/zinc/07/82/17/412078217.db2.gz IOGCTTGOBUMCLA-NSHDSACASA-N -1 0 319.317 -0.110 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1ccnc(OCCO)c1)C(=O)[O-] ZINC000659065993 412078555 /nfs/dbraw/zinc/07/85/55/412078555.db2.gz XSZFCPKIULYDRX-VIFPVBQESA-N -1 0 311.294 -0.629 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCC2=O)c1)C(=O)[O-] ZINC000659063178 412078621 /nfs/dbraw/zinc/07/86/21/412078621.db2.gz UELVECYHUVUCGI-MRVPVSSYSA-N -1 0 305.290 -0.049 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1cnns1)C2 ZINC000659067186 412078795 /nfs/dbraw/zinc/07/87/95/412078795.db2.gz YLIYRMMYVIWEAW-KSBSHMNSSA-N -1 0 312.307 -0.964 20 0 DBADRM O=C([O-])[C@H](NC(=O)CC1(n2cnnn2)CCOCC1)C1CC1 ZINC000659126698 412080891 /nfs/dbraw/zinc/08/08/91/412080891.db2.gz BXWUFXHUOMOGNX-LLVKDONJSA-N -1 0 309.326 -0.452 20 0 DBADRM COC[C@H](OC)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000659143915 412080976 /nfs/dbraw/zinc/08/09/76/412080976.db2.gz QBCXROMMMSJNQO-MNOVXSKESA-N -1 0 316.354 -0.571 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000659172062 412081082 /nfs/dbraw/zinc/08/10/82/412081082.db2.gz CNXUOYOQRUWNAN-WEDXCCLWSA-N -1 0 302.352 -0.344 20 0 DBADRM O=C(CS(=O)(=O)C1CCCC1)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC000659173616 412081151 /nfs/dbraw/zinc/08/11/51/412081151.db2.gz UYNNDNDYEWSVGR-GXSJLCMTSA-N -1 0 305.352 -0.298 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000659226601 412081392 /nfs/dbraw/zinc/08/13/92/412081392.db2.gz FDAMUOGEXHDAIP-IUCAKERBSA-N -1 0 305.352 -0.298 20 0 DBADRM COc1ccc(C(=O)NCC(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])cc1 ZINC000659174611 412081448 /nfs/dbraw/zinc/08/14/48/412081448.db2.gz NLLJMXSSKFYGHC-YPMHNXCESA-N -1 0 322.317 -0.217 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)CC1(n2cnnn2)CCOCC1 ZINC000659118923 412081503 /nfs/dbraw/zinc/08/15/03/412081503.db2.gz CRWPCUHINAGWRE-UHFFFAOYSA-N -1 0 311.342 -0.108 20 0 DBADRM O=C([O-])C12CC(C1)CN2C(=O)Cn1nnc2ccccc2c1=O ZINC000659176670 412081704 /nfs/dbraw/zinc/08/17/04/412081704.db2.gz JHGLECLWKCHCEQ-UHFFFAOYSA-N -1 0 314.301 -0.133 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000659117844 412081726 /nfs/dbraw/zinc/08/17/26/412081726.db2.gz OPQCMSRZMHOIBY-NSHDSACASA-N -1 0 323.353 -0.108 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])n1 ZINC000659149642 412081733 /nfs/dbraw/zinc/08/17/33/412081733.db2.gz IDJOIHGUYNDVMW-VIFPVBQESA-N -1 0 311.342 -0.327 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC000659136812 412081931 /nfs/dbraw/zinc/08/19/31/412081931.db2.gz PXUWWCNDQWDRGN-LBPRGKRZSA-N -1 0 309.326 -0.498 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N2CCOC[C@H]2CC(=O)[O-])n1 ZINC000659149641 412082139 /nfs/dbraw/zinc/08/21/39/412082139.db2.gz IDJOIHGUYNDVMW-SECBINFHSA-N -1 0 311.342 -0.327 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000660556023 412141279 /nfs/dbraw/zinc/14/12/79/412141279.db2.gz DIMWFAJCWFNWJK-LPEHRKFASA-N -1 0 316.383 -0.498 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000659413862 412086710 /nfs/dbraw/zinc/08/67/10/412086710.db2.gz BALPHAKUHSDVHP-SECBINFHSA-N -1 0 320.367 -0.551 20 0 DBADRM COCC(=O)N1CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000659419150 412086871 /nfs/dbraw/zinc/08/68/71/412086871.db2.gz NGFJMPGIBGCQKP-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM C[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ncn(C)n1 ZINC000659401564 412086877 /nfs/dbraw/zinc/08/68/77/412086877.db2.gz LYLDYSUIBBRFIW-IGJMFERPSA-N -1 0 309.326 -0.381 20 0 DBADRM CCc1nnc(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[nH]1 ZINC000659404377 412086882 /nfs/dbraw/zinc/08/68/82/412086882.db2.gz IAQORIPALJILFK-AMIZOPFISA-N -1 0 309.326 -0.390 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000659413080 412087101 /nfs/dbraw/zinc/08/71/01/412087101.db2.gz OMLMHJJWIFYQPA-ZJUUUORDSA-N -1 0 320.367 -0.695 20 0 DBADRM CO[C@]1(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCOC1 ZINC000659405010 412087131 /nfs/dbraw/zinc/08/71/31/412087131.db2.gz YCDVSSSYOFCUMU-DDTOSNHZSA-N -1 0 314.338 -0.466 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCC1(C(=O)[O-])CCC1 ZINC000659411726 412087572 /nfs/dbraw/zinc/08/75/72/412087572.db2.gz DIZAPGZXFKNULF-RKDXNWHRSA-N -1 0 320.367 -0.648 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)NCC1(C(=O)[O-])CCC1 ZINC000659395025 412087607 /nfs/dbraw/zinc/08/76/07/412087607.db2.gz DIRGIQRUCJSUAU-UHFFFAOYSA-N -1 0 321.399 -0.132 20 0 DBADRM CN1C[C@H](NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCC1=O ZINC000659398803 412087869 /nfs/dbraw/zinc/08/78/69/412087869.db2.gz GZGGUPWEPLIIME-GPCCPHFNSA-N -1 0 311.338 -0.650 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)CCC(=O)N1 ZINC000659654718 412098647 /nfs/dbraw/zinc/09/86/47/412098647.db2.gz AIAMSJNKKXAQFU-ZDUSSCGKSA-N -1 0 311.338 -0.858 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C1CC1 ZINC000659649891 412098883 /nfs/dbraw/zinc/09/88/83/412098883.db2.gz OJYSNCWMLPTMIT-XDMRBOTDSA-N -1 0 310.350 -0.292 20 0 DBADRM Cc1noc([C@H](C)NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC000659650847 412098954 /nfs/dbraw/zinc/09/89/54/412098954.db2.gz NXQKDOFXENYNQE-ZETCQYMHSA-N -1 0 310.310 -0.074 20 0 DBADRM COC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])C1CCOCC1 ZINC000659655783 412099038 /nfs/dbraw/zinc/09/90/38/412099038.db2.gz LXWYTTRVYMVIOS-NSHDSACASA-N -1 0 316.354 -0.475 20 0 DBADRM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659654931 412099210 /nfs/dbraw/zinc/09/92/10/412099210.db2.gz CPCNDKBGKKFHKT-XKJBLICVSA-N -1 0 308.334 -0.539 20 0 DBADRM C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659651703 412099220 /nfs/dbraw/zinc/09/92/20/412099220.db2.gz ZYOSATFIRDESID-UYUMYWFVSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@@H](NC(=O)C(=O)NCC1(C(=O)[O-])CCC1)c1cnn(C)c1 ZINC000659652264 412099280 /nfs/dbraw/zinc/09/92/80/412099280.db2.gz SWJQNECOTXAURJ-SECBINFHSA-N -1 0 308.338 -0.032 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CCC(=O)[O-])CS1(=O)=O ZINC000659666315 412099796 /nfs/dbraw/zinc/09/97/96/412099796.db2.gz XGUYSYKCKQJVMD-DTWKUNHWSA-N -1 0 320.367 -0.999 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])[C@@H]1CCO ZINC000659656483 412099957 /nfs/dbraw/zinc/09/99/57/412099957.db2.gz SAMQLKQZRWLWBS-GHMZBOCLSA-N -1 0 300.355 -0.023 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCc1cccnc1N1CCCC1 ZINC000659658524 412099994 /nfs/dbraw/zinc/09/99/94/412099994.db2.gz KZSPJVWLUDQXTG-UHFFFAOYSA-N -1 0 320.349 -0.111 20 0 DBADRM Cn1cc(C[C@H]2CCC[C@H]2NC(=O)C(=O)NCCC(=O)[O-])cn1 ZINC000659658062 412100046 /nfs/dbraw/zinc/10/00/46/412100046.db2.gz FBBUICJKAKEBAI-VXGBXAGGSA-N -1 0 322.365 -0.162 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@H]2CCn3ccnc3C2)CCC1 ZINC000659656749 412100466 /nfs/dbraw/zinc/10/04/66/412100466.db2.gz MGSCAEHHMJYSMD-JTQLQIEISA-N -1 0 320.349 -0.315 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCc1ccoc1)C2 ZINC000659663546 412100568 /nfs/dbraw/zinc/10/05/68/412100568.db2.gz GWAWJISPAGQPLQ-IAQYHMDHSA-N -1 0 322.317 -0.502 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1COc2cc(F)ccc2C1 ZINC000659658101 412100800 /nfs/dbraw/zinc/10/08/00/412100800.db2.gz FWWGQNQXSMCHDP-SNVBAGLBSA-N -1 0 310.281 -0.164 20 0 DBADRM CN1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CCC1=O ZINC000659660637 412100805 /nfs/dbraw/zinc/10/08/05/412100805.db2.gz RJYPLDKWCMIYRS-UHFFFAOYSA-N -1 0 313.354 -0.706 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)n2ncnc21)C(=O)[O-] ZINC000659661393 412100878 /nfs/dbraw/zinc/10/08/78/412100878.db2.gz ISUMIOGVBANSJY-GUBZILKMSA-N -1 0 323.353 -0.127 20 0 DBADRM C[C@H]1[C@@H](CO)CCCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659670731 412101331 /nfs/dbraw/zinc/10/13/31/412101331.db2.gz OGSKUDPFQOIDKA-WDEREUQCSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@]12COC[C@@H]1CN(C(=O)C(=O)NCC1(C(=O)[O-])CCC1)C2 ZINC000659671597 412102146 /nfs/dbraw/zinc/10/21/46/412102146.db2.gz HGCIIIGZFHCIIU-HZMBPMFUSA-N -1 0 310.350 -0.148 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCN(C3CC3)CC2)CCC1 ZINC000659668439 412102344 /nfs/dbraw/zinc/10/23/44/412102344.db2.gz JXSLMAOOEKKNCL-UHFFFAOYSA-N -1 0 309.366 -0.336 20 0 DBADRM CC(C)[C@H](CNC(=O)C1(n2cnnn2)CCOCC1)C(=O)[O-] ZINC000659767450 412122380 /nfs/dbraw/zinc/12/23/80/412122380.db2.gz PNXMOTVGQAIXIA-JTQLQIEISA-N -1 0 311.342 -0.348 20 0 DBADRM CCN1CCN(CC(=O)Nc2cc(C(=O)[O-])ccn2)C(=O)C1=O ZINC000659768577 412122551 /nfs/dbraw/zinc/12/25/51/412122551.db2.gz ICJQGCZXCCWCBT-UHFFFAOYSA-N -1 0 320.305 -0.591 20 0 DBADRM CCN(C(=O)CNS(=O)(=O)c1cnn(C)c1)[C@H](C)C(=O)[O-] ZINC000659770527 412123271 /nfs/dbraw/zinc/12/32/71/412123271.db2.gz GHMOYCLHPVBWEC-MRVPVSSYSA-N -1 0 318.355 -0.980 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N(CC(=O)[O-])CC(C)(C)C)c1=O ZINC000659782842 412124091 /nfs/dbraw/zinc/12/40/91/412124091.db2.gz IIXLMYMCGLCYSI-UHFFFAOYSA-N -1 0 311.338 -0.494 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1ccc3n[nH]c(=O)n3c1)C2 ZINC000659779854 412124531 /nfs/dbraw/zinc/12/45/31/412124531.db2.gz SWNGNAVCXHRFEQ-YMTOWFKASA-N -1 0 318.289 -0.392 20 0 DBADRM COCCCOCCC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659784380 412124829 /nfs/dbraw/zinc/12/48/29/412124829.db2.gz ZPLJYYZRQDKCMP-BXUZGUMPSA-N -1 0 301.339 -0.011 20 0 DBADRM NC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nc1 ZINC000659779129 412125168 /nfs/dbraw/zinc/12/51/68/412125168.db2.gz HQCFQWDUKULNMZ-YMTOWFKASA-N -1 0 305.290 -0.646 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1cncc(-n3cncn3)n1)C2 ZINC000662885030 412207206 /nfs/dbraw/zinc/20/72/06/412207206.db2.gz BPEXJMHUCPMIDH-NOZJJQNGSA-N -1 0 302.294 -0.405 20 0 DBADRM NS(=O)(=O)c1cnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)s1 ZINC000662897865 412208726 /nfs/dbraw/zinc/20/87/26/412208726.db2.gz YNJGGGGDAIYPER-PBXRRBTRSA-N -1 0 307.353 -0.574 20 0 DBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N2CC[C@H](CO)C2)CC1 ZINC000662904915 412209029 /nfs/dbraw/zinc/20/90/29/412209029.db2.gz WHNCWHORGSXWHJ-LBPRGKRZSA-N -1 0 312.366 -0.069 20 0 DBADRM C[C@H](C1CC1)N(C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662904760 412209110 /nfs/dbraw/zinc/20/91/10/412209110.db2.gz ZLBJOFOVHPCZLY-XDMRBOTDSA-N -1 0 310.350 -0.197 20 0 DBADRM NS(=O)(=O)c1cccnc1N[C@@H]1C[C@@H](C(=O)[O-])C[C@H]1O ZINC000662894618 412209276 /nfs/dbraw/zinc/20/92/76/412209276.db2.gz AXHFOYXYNWYLOO-BWZBUEFSSA-N -1 0 301.324 -0.635 20 0 DBADRM CCCN(C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C1CC1 ZINC000662905699 412209487 /nfs/dbraw/zinc/20/94/87/412209487.db2.gz GBRLJYIKTLHMBU-MEBBXXQBSA-N -1 0 310.350 -0.053 20 0 DBADRM Nc1c(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)ncnc1-n1cccn1 ZINC000662898471 412209623 /nfs/dbraw/zinc/20/96/23/412209623.db2.gz UUFSIVJLZFBURU-HLTSFMKQSA-N -1 0 304.310 -0.120 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC=C(F)C1)C2 ZINC000662910136 412210599 /nfs/dbraw/zinc/21/05/99/412210599.db2.gz NKJLEZWPFBYERT-YMTOWFKASA-N -1 0 312.297 -0.368 20 0 DBADRM CN(Cc1cn(C)nn1)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000662910905 412210730 /nfs/dbraw/zinc/21/07/30/412210730.db2.gz ALZJDKLRAIGAJF-JTQLQIEISA-N -1 0 323.353 -0.513 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@H]1C ZINC000662908753 412210787 /nfs/dbraw/zinc/21/07/87/412210787.db2.gz WXZVJFNMCKLHLH-JNIYBQFBSA-N -1 0 310.350 -0.197 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1)C(=O)[O-] ZINC000662913033 412211225 /nfs/dbraw/zinc/21/12/25/412211225.db2.gz JKFYNDZNZWNICM-GHMZBOCLSA-N -1 0 323.353 -0.694 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N(C)CCC(=O)[O-])[C@@H]1CCO ZINC000662913705 412211394 /nfs/dbraw/zinc/21/13/94/412211394.db2.gz BAGCLWPUNASBCV-GHMZBOCLSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC000662911390 412211499 /nfs/dbraw/zinc/21/14/99/412211499.db2.gz DNLHSDAHPRKTOZ-ABAIWWIYSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000662912144 412211629 /nfs/dbraw/zinc/21/16/29/412211629.db2.gz IIRMYIHQOHPMJZ-GHMZBOCLSA-N -1 0 300.355 -0.071 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@](O)(C3CC3)C2)C1 ZINC000662914687 412212017 /nfs/dbraw/zinc/21/20/17/412212017.db2.gz UCBPRUHSYUETGR-BMIGLBTASA-N -1 0 310.350 -0.317 20 0 DBADRM C[C@H](O)CN(C)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000662915899 412212952 /nfs/dbraw/zinc/21/29/52/412212952.db2.gz PALRZWMNIBGXFM-JTQLQIEISA-N -1 0 300.355 -0.071 20 0 DBADRM COCCCS(=O)(=O)NCCN(C)Cc1n[n-]c(=O)o1 ZINC000660850013 412147979 /nfs/dbraw/zinc/14/79/79/412147979.db2.gz ROVCUCROPOLREJ-UHFFFAOYSA-N -1 0 308.360 -0.837 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000314727532 412162137 /nfs/dbraw/zinc/16/21/37/412162137.db2.gz GCEVQIZIMQSBQM-VWYCJHECSA-N -1 0 318.395 -0.020 20 0 DBADRM CCN(CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H](C)C(=O)[O-] ZINC000662218206 412171833 /nfs/dbraw/zinc/17/18/33/412171833.db2.gz WPCJJPBCKLOIKD-JTQLQIEISA-N -1 0 323.415 -0.821 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1Cc1coc(S(N)(=O)=O)c1 ZINC000662217372 412172213 /nfs/dbraw/zinc/17/22/13/412172213.db2.gz YTRGVHKPHXEEKV-GFCCVEGCSA-N -1 0 318.351 -0.007 20 0 DBADRM Cn1[n-]nnc1=NC[C@]1(CO)COCCN1Cc1ccccc1 ZINC000664534610 412256999 /nfs/dbraw/zinc/25/69/99/412256999.db2.gz MIHBXMJUWNDFHW-HNNXBMFYSA-N -1 0 318.381 -0.693 20 0 DBADRM CCN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000665067247 412269432 /nfs/dbraw/zinc/26/94/32/412269432.db2.gz HUMWZURUENHGJF-UHFFFAOYSA-N -1 0 313.379 -0.183 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2C(=O)[O-])C1 ZINC000663026345 412223879 /nfs/dbraw/zinc/22/38/79/412223879.db2.gz MPYYHRCICDKGAY-NXEZZACHSA-N -1 0 319.383 -0.632 20 0 DBADRM CC(=O)NCCN(C(=O)c1ncnc2[nH]ccc21)[C@H](C)C(=O)[O-] ZINC000663024645 412224002 /nfs/dbraw/zinc/22/40/02/412224002.db2.gz BKULEJBOZWIYDT-MRVPVSSYSA-N -1 0 319.321 -0.039 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC000663050561 412224060 /nfs/dbraw/zinc/22/40/60/412224060.db2.gz VHVVYBRMPJKALE-JTQLQIEISA-N -1 0 316.379 -0.052 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000663027586 412224080 /nfs/dbraw/zinc/22/40/80/412224080.db2.gz NXZZYIXNTMZYAC-NSHDSACASA-N -1 0 307.306 -0.491 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@]2(c3ccccc3)CNC(=O)C2)CCO1 ZINC000663023611 412224127 /nfs/dbraw/zinc/22/41/27/412224127.db2.gz XEUORDIOWQETGE-MLGOLLRUSA-N -1 0 318.329 -0.244 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)CC2 ZINC000663047097 412224271 /nfs/dbraw/zinc/22/42/71/412224271.db2.gz AYPHCFOGYKDJJY-SKDRFNHKSA-N -1 0 308.338 -0.034 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N1CCOC[C@H]1C(=O)[O-])n1cccn1 ZINC000663027304 412224289 /nfs/dbraw/zinc/22/42/89/412224289.db2.gz MKLHIYMBGOQZCY-QWRGUYRKSA-N -1 0 324.337 -0.786 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1oc(S(N)(=O)=O)cc1C ZINC000663021951 412224350 /nfs/dbraw/zinc/22/43/50/412224350.db2.gz XTOUIAVJFCWMTR-UHFFFAOYSA-N -1 0 320.323 -0.591 20 0 DBADRM COc1ccc(CNC(=O)CNC(=O)[C@](C)(OC)C(=O)[O-])cc1 ZINC000663074732 412225038 /nfs/dbraw/zinc/22/50/38/412225038.db2.gz HIUXOQQASHYLLJ-HNNXBMFYSA-N -1 0 324.333 -0.083 20 0 DBADRM O=C([O-])[C@H](C(=O)NCCCN1C(=O)CNC1=O)C1CCCC1 ZINC000663071395 412225057 /nfs/dbraw/zinc/22/50/57/412225057.db2.gz UVCWIBPTWSXWHE-NSHDSACASA-N -1 0 311.338 -0.065 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663077849 412225209 /nfs/dbraw/zinc/22/52/09/412225209.db2.gz CFYRFZQDFLZEEG-JTQLQIEISA-N -1 0 306.384 -0.115 20 0 DBADRM CC(C)n1nccc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000663054066 412225354 /nfs/dbraw/zinc/22/53/54/412225354.db2.gz IAKKKTNVVLYQLX-JTQLQIEISA-N -1 0 315.351 -0.212 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC000663063856 412225447 /nfs/dbraw/zinc/22/54/47/412225447.db2.gz SBMNPRYJMHCATH-SNVBAGLBSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@]1(C2CCN(C(=O)[C@H](C(=O)[O-])C3CC3)CC2)NC(=O)NC1=O ZINC000663063361 412225459 /nfs/dbraw/zinc/22/54/59/412225459.db2.gz QNARJPASSUFGBW-BMIGLBTASA-N -1 0 323.349 -0.066 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C1CC1 ZINC000663053658 412225480 /nfs/dbraw/zinc/22/54/80/412225480.db2.gz DRHYYERTGUSXGU-BDAKNGLRSA-N -1 0 319.383 -0.634 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000663063982 412225559 /nfs/dbraw/zinc/22/55/59/412225559.db2.gz JEHBSOAEJXACGF-GZMMTYOYSA-N -1 0 308.356 -0.984 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC000663063376 412225599 /nfs/dbraw/zinc/22/55/99/412225599.db2.gz FUPHEIPLDKSENJ-UWVGGRQHSA-N -1 0 304.368 -0.363 20 0 DBADRM CCn1cnc(C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1 ZINC000663055680 412225635 /nfs/dbraw/zinc/22/56/35/412225635.db2.gz CJSABDNVCFZUAL-QMMMGPOBSA-N -1 0 306.282 -0.691 20 0 DBADRM C[C@H](CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])[C@H]1CCCO1 ZINC000663053529 412225669 /nfs/dbraw/zinc/22/56/69/412225669.db2.gz CVELXSZZBQHIRL-GMTAPVOTSA-N -1 0 319.379 -0.098 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000663081042 412226195 /nfs/dbraw/zinc/22/61/95/412226195.db2.gz YFAILTKRTYNCMQ-ZDUSSCGKSA-N -1 0 318.395 -0.019 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000663096307 412226267 /nfs/dbraw/zinc/22/62/67/412226267.db2.gz KLJIKDCDRXVUOA-PTRXPTGYSA-N -1 0 307.368 -0.052 20 0 DBADRM NC(=O)[C@]1(NC(=O)c2cccc(OCC(=O)[O-])c2)CCOC1 ZINC000663121769 412226299 /nfs/dbraw/zinc/22/62/99/412226299.db2.gz QPZOTOVEYLQFQY-AWEZNQCLSA-N -1 0 308.290 -0.476 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000663100523 412226554 /nfs/dbraw/zinc/22/65/54/412226554.db2.gz JPAGNNNLDITRGF-INIZCTEOSA-N -1 0 323.393 -0.090 20 0 DBADRM CCN(C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)[C@@H](C)C(=O)[O-] ZINC000663126723 412226842 /nfs/dbraw/zinc/22/68/42/412226842.db2.gz YOIRRBGMRLGPDE-ZETCQYMHSA-N -1 0 320.305 -0.031 20 0 DBADRM NC(=O)[C@@]1(NC(=O)c2cccc(OCC(=O)[O-])c2)CCOC1 ZINC000663121770 412226944 /nfs/dbraw/zinc/22/69/44/412226944.db2.gz QPZOTOVEYLQFQY-CQSZACIVSA-N -1 0 308.290 -0.476 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC000663126572 412226992 /nfs/dbraw/zinc/22/69/92/412226992.db2.gz ACERIESADVLITH-UWVGGRQHSA-N -1 0 314.319 -0.678 20 0 DBADRM Cn1cnn(CC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1=O ZINC000663142748 412227261 /nfs/dbraw/zinc/22/72/61/412227261.db2.gz YGKDXLZCNYVWNN-CQSZACIVSA-N -1 0 304.306 -0.302 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000663134407 412227298 /nfs/dbraw/zinc/22/72/98/412227298.db2.gz VJNOVDTXJRGYLW-ZJUUUORDSA-N -1 0 306.384 -0.165 20 0 DBADRM CNC(=O)c1cccc(OCC(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000663132594 412227311 /nfs/dbraw/zinc/22/73/11/412227311.db2.gz LTTAJCJVOWQEKH-OAHLLOKOSA-N -1 0 322.317 -0.215 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)NC1(C(=O)[O-])CCOCC1 ZINC000663143854 412227433 /nfs/dbraw/zinc/22/74/33/412227433.db2.gz MIMIUVIGZMUSBU-UHFFFAOYSA-N -1 0 322.383 -0.544 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000663132357 412227629 /nfs/dbraw/zinc/22/76/29/412227629.db2.gz YLJSBKMDEBZWQC-GPCCPHFNSA-N -1 0 311.338 -0.663 20 0 DBADRM Cc1ccnc2nc(C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)nn21 ZINC000663129801 412227721 /nfs/dbraw/zinc/22/77/21/412227721.db2.gz VRMNQTHKRPTUOD-YMTOWFKASA-N -1 0 317.305 -0.394 20 0 DBADRM NC(=O)c1cccc(OCCC(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000663130296 412227754 /nfs/dbraw/zinc/22/77/54/412227754.db2.gz HXZMRORTZAIQEH-HNNXBMFYSA-N -1 0 322.317 -0.086 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000663127844 412227790 /nfs/dbraw/zinc/22/77/90/412227790.db2.gz UDVWLTFEDBKZRH-SSDOTTSWSA-N -1 0 318.355 -0.421 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000663134406 412227887 /nfs/dbraw/zinc/22/78/87/412227887.db2.gz VJNOVDTXJRGYLW-NXEZZACHSA-N -1 0 306.384 -0.165 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC000663136520 412227901 /nfs/dbraw/zinc/22/79/01/412227901.db2.gz HPHHLDPZCQZSSP-YGRLFVJLSA-N -1 0 313.354 -0.118 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000663136443 412228040 /nfs/dbraw/zinc/22/80/40/412228040.db2.gz GVEVLCCWPAWAHU-NOZJJQNGSA-N -1 0 301.343 -0.310 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)NC1(C(=O)[O-])CCOCC1 ZINC000663143250 412228047 /nfs/dbraw/zinc/22/80/47/412228047.db2.gz OLQLUJSODPJXLB-UHFFFAOYSA-N -1 0 313.310 -0.933 20 0 DBADRM CNC(=O)c1cccc(OCC(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000663132592 412228133 /nfs/dbraw/zinc/22/81/33/412228133.db2.gz LTTAJCJVOWQEKH-HNNXBMFYSA-N -1 0 322.317 -0.215 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NC1(C(=O)[O-])CCOCC1 ZINC000663142971 412228147 /nfs/dbraw/zinc/22/81/47/412228147.db2.gz AHHBDYNNWJBTQX-UHFFFAOYSA-N -1 0 322.383 -0.592 20 0 DBADRM O=C([O-])CN1CC[C@H](n2nnnc2Cc2ccccn2)C1=O ZINC000663218922 412228676 /nfs/dbraw/zinc/22/86/76/412228676.db2.gz FSAMVGBMNMAHBA-JTQLQIEISA-N -1 0 302.294 -0.483 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)Nc2ccn(CC(=O)[O-])n2)C1=O ZINC000663144650 412229103 /nfs/dbraw/zinc/22/91/03/412229103.db2.gz GSXUNFXFGAIZPU-UHFFFAOYSA-N -1 0 309.282 -0.763 20 0 DBADRM COc1cccn2c(=O)n([C@H]3CCN(CC(=O)[O-])C3=O)nc12 ZINC000663220447 412229345 /nfs/dbraw/zinc/22/93/45/412229345.db2.gz RJEKXOPNMWCOIF-QMMMGPOBSA-N -1 0 306.278 -0.637 20 0 DBADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CN1CCNCC1=O ZINC000663280998 412230497 /nfs/dbraw/zinc/23/04/97/412230497.db2.gz XPHXBMWAUNLYSU-HNNXBMFYSA-N -1 0 317.345 -0.371 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC2(CCOCC2)[C@H]1C(=O)[O-] ZINC000663287712 412230609 /nfs/dbraw/zinc/23/06/09/412230609.db2.gz LBMKRBREIIBQBO-SNVBAGLBSA-N -1 0 322.383 -0.625 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000663429704 412232336 /nfs/dbraw/zinc/23/23/36/412232336.db2.gz GTWOSEKPRRFWJF-MXWKQRLJSA-N -1 0 304.368 -0.252 20 0 DBADRM Cc1nnc(CN(C)S(=O)(=O)N(C)CCC(=O)[O-])s1 ZINC000663433378 412232463 /nfs/dbraw/zinc/23/24/63/412232463.db2.gz PCFGTNRDSUHAED-UHFFFAOYSA-N -1 0 308.385 -0.070 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCc2nccnc2C1 ZINC000663433005 412232542 /nfs/dbraw/zinc/23/25/42/412232542.db2.gz YIUDHNYNGZAAPW-LLVKDONJSA-N -1 0 312.351 -0.372 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H]3COC[C@H]3C2)C1 ZINC000663429874 412233006 /nfs/dbraw/zinc/23/30/06/412233006.db2.gz JSGDRPIQPKMZJD-IJLUTSLNSA-N -1 0 318.395 -0.004 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)cn1 ZINC000663622678 412236441 /nfs/dbraw/zinc/23/64/41/412236441.db2.gz XJDPORXUAMRTHW-GFCCVEGCSA-N -1 0 322.365 -0.304 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@](C)(C(F)F)C1)C(=O)[O-] ZINC000663629916 412236638 /nfs/dbraw/zinc/23/66/38/412236638.db2.gz NQFVRNYKABPIQC-KRTXAFLBSA-N -1 0 308.281 -0.294 20 0 DBADRM CN(Cc1nccn1C)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663634683 412236961 /nfs/dbraw/zinc/23/69/61/412236961.db2.gz HJBBOQLRVVZSJI-NSHDSACASA-N -1 0 322.365 -0.004 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663624830 412237167 /nfs/dbraw/zinc/23/71/67/412237167.db2.gz RWPRCRKNXOEXQQ-ONGXEEELSA-N -1 0 323.353 -0.600 20 0 DBADRM CC1(O)CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000663628951 412237217 /nfs/dbraw/zinc/23/72/17/412237217.db2.gz FWXIGOKNGJAZCS-NSHDSACASA-N -1 0 312.366 -0.023 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)n1 ZINC000663626188 412237271 /nfs/dbraw/zinc/23/72/71/412237271.db2.gz XQCKBJCZGLKOEU-LBPRGKRZSA-N -1 0 322.365 -0.304 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663637241 412237826 /nfs/dbraw/zinc/23/78/26/412237826.db2.gz YCCJLAYSAOCJCJ-ABAIWWIYSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CO)C1)C1CCC1 ZINC000663635231 412237923 /nfs/dbraw/zinc/23/79/23/412237923.db2.gz OFPSLSPRPCXCCX-PWSUYJOCSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCn2cnnc2C1)C1CCC1 ZINC000663637031 412238013 /nfs/dbraw/zinc/23/80/13/412238013.db2.gz DXCOFEQSQSOGSK-JTQLQIEISA-N -1 0 321.337 -0.763 20 0 DBADRM Cn1nnc2c1ncnc2N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000663885144 412242867 /nfs/dbraw/zinc/24/28/67/412242867.db2.gz BMZNKTCZIIHADV-SSDOTTSWSA-N -1 0 301.314 -0.034 20 0 DBADRM Cn1nnc2c1ncnc2N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000663862624 412243181 /nfs/dbraw/zinc/24/31/81/412243181.db2.gz YXDDUXBRDBKFDK-UHFFFAOYSA-N -1 0 301.314 -0.034 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)NCCN1C(=O)CCC1=O)C1CCC1 ZINC000665304944 412305609 /nfs/dbraw/zinc/30/56/09/412305609.db2.gz LABMUZCKBZJNDS-JTQLQIEISA-N -1 0 311.338 -0.065 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665312104 412306776 /nfs/dbraw/zinc/30/67/76/412306776.db2.gz CSCBDLTTYMYVGS-JTQLQIEISA-N -1 0 321.399 -0.322 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000665321926 412308414 /nfs/dbraw/zinc/30/84/14/412308414.db2.gz UDHOFGKWXKNFMI-ZJUUUORDSA-N -1 0 319.383 -0.440 20 0 DBADRM CNC(=O)Cn1cnc([N-]C(=O)c2nc3cccnc3s2)n1 ZINC000554785708 412313778 /nfs/dbraw/zinc/31/37/78/412313778.db2.gz PLCXJPLDCPMJHN-UHFFFAOYSA-N -1 0 317.334 0.281 20 0 DBADRM COC(=O)CCCc1nnc(NC(=O)c2ncn(C)n2)s1 ZINC000354714958 412359277 /nfs/dbraw/zinc/35/92/77/412359277.db2.gz PIZXSDWUIQQKDI-UHFFFAOYSA-N -1 0 310.339 0.415 20 0 DBADRM COC(=O)CCN1CC[C@H](Nc2cnc(C(=O)[O-])cn2)C1=O ZINC000416415118 412359816 /nfs/dbraw/zinc/35/98/16/412359816.db2.gz JESKVEPZBPESAG-QMMMGPOBSA-N -1 0 308.294 -0.249 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000362603897 412302445 /nfs/dbraw/zinc/30/24/45/412302445.db2.gz PLSKXYFJTROBJI-QMMMGPOBSA-N -1 0 306.278 0.318 20 0 DBADRM O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000665491817 412375730 /nfs/dbraw/zinc/37/57/30/412375730.db2.gz IMCBVFLUABDMQH-JTQLQIEISA-N -1 0 323.330 -0.053 20 0 DBADRM COc1cc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)nn1C ZINC000547822409 412435712 /nfs/dbraw/zinc/43/57/12/412435712.db2.gz WDFGJUHVQAXXGW-UHFFFAOYSA-N -1 0 313.339 -0.333 20 0 DBADRM Cc1cc(NC(=O)CN(C)C(=O)Cn2cc(C(=O)[O-])cn2)no1 ZINC000630110711 412382829 /nfs/dbraw/zinc/38/28/29/412382829.db2.gz YVLTWAWCORJFAY-UHFFFAOYSA-N -1 0 321.293 -0.025 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)c2cccc3c2OCC(=O)N3)n1 ZINC000431651409 412417525 /nfs/dbraw/zinc/41/75/25/412417525.db2.gz JCRIDNSZUAVEOS-UHFFFAOYSA-N -1 0 316.273 0.551 20 0 DBADRM CCOC(=O)Cn1cnc([N-]C(=O)c2nnn(C(C)(C)C)n2)n1 ZINC000597795976 412429190 /nfs/dbraw/zinc/42/91/90/412429190.db2.gz HEWUVIQXQTZIGS-UHFFFAOYSA-N -1 0 322.329 -0.165 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1c(N)noc1C ZINC000495899001 412488167 /nfs/dbraw/zinc/48/81/67/412488167.db2.gz XQMYAVHMKFKAPF-UHFFFAOYSA-N -1 0 320.327 -0.494 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNc2ccc(C(=O)[O-])nn2)C1 ZINC000574403594 412458788 /nfs/dbraw/zinc/45/87/88/412458788.db2.gz HTORGPUBAWISQK-MRVPVSSYSA-N -1 0 300.340 -0.132 20 0 DBADRM Cc1nnc2ccc(C(=O)Nc3ccn(CC(=O)[O-])n3)cn12 ZINC000362606969 412462874 /nfs/dbraw/zinc/46/28/74/412462874.db2.gz SMNKQHHRPTVQHH-UHFFFAOYSA-N -1 0 300.278 0.571 20 0 DBADRM Cn1ccc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)n1 ZINC000589469874 412472211 /nfs/dbraw/zinc/47/22/11/412472211.db2.gz JCPPQSNEPYCKBK-UHFFFAOYSA-N -1 0 302.341 -0.105 20 0 DBADRM Cn1nncc1S(=O)(=O)NCCc1ccc(CC(=O)[O-])cc1 ZINC000650402209 418942614 /nfs/dbraw/zinc/94/26/14/418942614.db2.gz GWTXPXBITKUFSR-UHFFFAOYSA-N -1 0 324.362 -0.037 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000650402856 418942639 /nfs/dbraw/zinc/94/26/39/418942639.db2.gz VFAUCYWRKQWMDL-JMJZKYOTSA-N -1 0 317.367 -0.487 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1C(N)=O ZINC000558590093 418942842 /nfs/dbraw/zinc/94/28/42/418942842.db2.gz KDBUUWGDPJPILF-MADCSZMMSA-N -1 0 313.335 -0.781 20 0 DBADRM CCn1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cn1 ZINC000650446388 418946586 /nfs/dbraw/zinc/94/65/86/418946586.db2.gz VXJPURWEADJNLU-PSASIEDQSA-N -1 0 303.340 -0.234 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC000663063382 418946595 /nfs/dbraw/zinc/94/65/95/418946595.db2.gz FUPHEIPLDKSENJ-ZJUUUORDSA-N -1 0 304.368 -0.363 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC000663060694 418946844 /nfs/dbraw/zinc/94/68/44/418946844.db2.gz BSGJCSOBAJELQL-CQSZACIVSA-N -1 0 313.354 -0.164 20 0 DBADRM Cn1nncc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000650448225 418946973 /nfs/dbraw/zinc/94/69/73/418946973.db2.gz OQBPBZXDQFPYRU-DTWKUNHWSA-N -1 0 300.340 -0.454 20 0 DBADRM CO[C@@H]1CC[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1 ZINC000663055016 418947049 /nfs/dbraw/zinc/94/70/49/418947049.db2.gz SWHSVOXBNBGABI-AEJSXWLSSA-N -1 0 305.352 -0.488 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000650445695 418947064 /nfs/dbraw/zinc/94/70/64/418947064.db2.gz RXMCDDQIKIBABU-GWOFURMSSA-N -1 0 322.383 -0.486 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C1CC1 ZINC000652122622 418950252 /nfs/dbraw/zinc/95/02/52/418950252.db2.gz DQLZQWUBCFTHJF-IVZWLZJFSA-N -1 0 302.352 -0.753 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1=O ZINC000666335077 418980273 /nfs/dbraw/zinc/98/02/73/418980273.db2.gz WPEZAPQEECGXRM-QMMMGPOBSA-N -1 0 302.356 -0.721 20 0 DBADRM CC(C)(C)N1C[C@@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1=O ZINC000666534687 418983958 /nfs/dbraw/zinc/98/39/58/418983958.db2.gz OJBWEMVNWAITGU-VHSXEESVSA-N -1 0 313.354 -0.119 20 0 DBADRM CN(C)C1(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)CC1 ZINC000666975040 418988623 /nfs/dbraw/zinc/98/86/23/418988623.db2.gz GDHMWNDVVXWNDT-UHFFFAOYSA-N -1 0 305.385 -0.058 20 0 DBADRM CCN(CCCNC(=O)c1cc(=O)n(C)[n-]1)S(C)(=O)=O ZINC000666881468 418989160 /nfs/dbraw/zinc/98/91/60/418989160.db2.gz ALFCJOKCHXVZBK-UHFFFAOYSA-N -1 0 304.372 -0.473 20 0 DBADRM Cc1nnc(CC(=O)Nc2nnc([N-]S(C)(=O)=O)s2)[nH]1 ZINC000666974971 418989219 /nfs/dbraw/zinc/98/92/19/418989219.db2.gz DBPURPJIOIABIJ-UHFFFAOYSA-N -1 0 317.356 -0.483 20 0 DBADRM CN(C(=O)N1CCOC[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000088393885 544422668 /nfs/dbraw/zinc/42/26/68/544422668.db2.gz WOTMRHBEJUMWAZ-DTWKUNHWSA-N -1 0 306.340 -0.989 20 0 DBADRM O=C([O-])CCC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000668299598 544425210 /nfs/dbraw/zinc/42/52/10/544425210.db2.gz MEBUHWXNVYNVFG-JTQLQIEISA-N -1 0 304.368 -0.122 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C1CCOCC1 ZINC000668311184 544426277 /nfs/dbraw/zinc/42/62/77/544426277.db2.gz PBQTYHGVLKRNHV-MFKMUULPSA-N -1 0 310.350 -0.007 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc[nH]c2=O)c1 ZINC000674876884 544434240 /nfs/dbraw/zinc/43/42/40/544434240.db2.gz OPRBJBZJBUPCAH-UHFFFAOYSA-N -1 0 311.323 -0.562 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000650421899 544447752 /nfs/dbraw/zinc/44/77/52/544447752.db2.gz IQTSMFWBMYAQRB-VHSXEESVSA-N -1 0 318.395 -0.020 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000650428863 544448300 /nfs/dbraw/zinc/44/83/00/544448300.db2.gz VGLNTKBFAHGQNB-NXEZZACHSA-N -1 0 317.367 -0.183 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(c2ccccc2)CC1 ZINC000074733767 544475270 /nfs/dbraw/zinc/47/52/70/544475270.db2.gz UEFFVBUWLVHVIW-UHFFFAOYSA-N -1 0 301.306 -0.167 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1 ZINC000222591335 544491257 /nfs/dbraw/zinc/49/12/57/544491257.db2.gz WUNOWBRINSRUEJ-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM COc1cc(NC(=O)C(=O)NCc2nnn[n-]2)c(C)c(OC)c1 ZINC000669738857 544513371 /nfs/dbraw/zinc/51/33/71/544513371.db2.gz IPQQKZDKXRRIRW-UHFFFAOYSA-N -1 0 320.309 -0.220 20 0 DBADRM Cn1nccc1COCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000670812104 544525875 /nfs/dbraw/zinc/52/58/75/544525875.db2.gz NFCADQCDPQUFIL-SNVBAGLBSA-N -1 0 305.342 -0.144 20 0 DBADRM CNS(=O)(=O)CCNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000231018277 544573965 /nfs/dbraw/zinc/57/39/65/544573965.db2.gz HXALJUCLWZQDSI-UHFFFAOYSA-N -1 0 315.351 -0.267 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000231019385 544574157 /nfs/dbraw/zinc/57/41/57/544574157.db2.gz WGWUWMRVLNPOLP-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM CC(C)[C@@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)C(N)=O ZINC000231057725 544574575 /nfs/dbraw/zinc/57/45/75/544574575.db2.gz UKIDFXMOSAXFLY-SECBINFHSA-N -1 0 301.343 -0.323 20 0 DBADRM COCCN1C[C@H](C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1=O ZINC000087477309 544581295 /nfs/dbraw/zinc/58/12/95/544581295.db2.gz OKOWOVOYXAUMCB-GHMZBOCLSA-N -1 0 300.355 -0.046 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000087485257 544581735 /nfs/dbraw/zinc/58/17/35/544581735.db2.gz CMFOVOQNZMIAHY-UWVGGRQHSA-N -1 0 306.384 -0.115 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(C(=O)CC(C)(C)C(=O)[O-])CC1 ZINC000087725876 544583076 /nfs/dbraw/zinc/58/30/76/544583076.db2.gz QNDYHUGXZQOPSK-UHFFFAOYSA-N -1 0 321.399 -0.562 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NCCOCC(=O)[O-])o1 ZINC000093228312 544607127 /nfs/dbraw/zinc/60/71/27/544607127.db2.gz VSNOUZAPHBYVDR-UHFFFAOYSA-N -1 0 320.323 -0.639 20 0 DBADRM CN(C1CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349517607 544613305 /nfs/dbraw/zinc/61/33/05/544613305.db2.gz LUZCBUVDCMDHHG-UHFFFAOYSA-N -1 0 323.400 -0.640 20 0 DBADRM CCc1nnc([N-]S(=O)(=O)CCCS(N)(=O)=O)s1 ZINC000349461823 544613658 /nfs/dbraw/zinc/61/36/58/544613658.db2.gz XGNYPORDPUWPTC-UHFFFAOYSA-N -1 0 314.414 -0.479 20 0 DBADRM CC(C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349579000 544614848 /nfs/dbraw/zinc/61/48/48/544614848.db2.gz XJTPGQOOHSKJIH-UHFFFAOYSA-N -1 0 311.389 -0.736 20 0 DBADRM COCCN(C(=O)NCCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000242764485 544616296 /nfs/dbraw/zinc/61/62/96/544616296.db2.gz DOHGUCCOMFDOKR-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1[O-] ZINC000669753864 544619794 /nfs/dbraw/zinc/61/97/94/544619794.db2.gz ZDJFYOXTFGKCGD-DTWKUNHWSA-N -1 0 316.383 -0.129 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1sccc1-n1cnnn1 ZINC000049606746 544621226 /nfs/dbraw/zinc/62/12/26/544621226.db2.gz GORQYGASAQSGSM-UHFFFAOYSA-N -1 0 311.323 -0.103 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000049606612 544621348 /nfs/dbraw/zinc/62/13/48/544621348.db2.gz YDUKWEVUCPYRMT-SNVBAGLBSA-N -1 0 302.327 -0.959 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000252363050 544623462 /nfs/dbraw/zinc/62/34/62/544623462.db2.gz HQOAHKOUVCQMCR-IVZWLZJFSA-N -1 0 304.368 -0.363 20 0 DBADRM O=C([O-])CCN(CCO)S(=O)(=O)c1cccc2c1OCO2 ZINC000669838365 544625846 /nfs/dbraw/zinc/62/58/46/544625846.db2.gz MBEVCBPQFGRSBT-UHFFFAOYSA-N -1 0 317.319 -0.127 20 0 DBADRM CN(C(=O)CC(C)(C)C(=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000380428451 544648957 /nfs/dbraw/zinc/64/89/57/544648957.db2.gz JPFHNHHHXOWCAA-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM CC(C)C[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-] ZINC000262643718 544662943 /nfs/dbraw/zinc/66/29/43/544662943.db2.gz IAUJSMRLGTXLGZ-VIFPVBQESA-N -1 0 311.342 -0.405 20 0 DBADRM CS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[O-])CC1 ZINC000211197520 544663611 /nfs/dbraw/zinc/66/36/11/544663611.db2.gz ORWBMQIFJKZFRS-UHFFFAOYSA-N -1 0 320.392 -0.342 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@H](C(=O)[O-])O1 ZINC000262933575 544664945 /nfs/dbraw/zinc/66/49/45/544664945.db2.gz KHIQHRWHRCHZIJ-BBBLOLIVSA-N -1 0 305.352 -0.346 20 0 DBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCn2ncnn2)c1 ZINC000353070573 544680533 /nfs/dbraw/zinc/68/05/33/544680533.db2.gz WYYJDXXLCSIDDG-UHFFFAOYSA-N -1 0 324.366 -0.217 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC000682521761 544643545 /nfs/dbraw/zinc/64/35/45/544643545.db2.gz BGKFSUHJZKPRCM-ZJUUUORDSA-N -1 0 322.383 -0.594 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N(CC(=O)[O-])CC1CC1 ZINC000036884522 544733592 /nfs/dbraw/zinc/73/35/92/544733592.db2.gz QZAZQBKBTAVNJX-JTQLQIEISA-N -1 0 304.368 -0.266 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)C1Cc2ccccc2C1)C(=O)[O-] ZINC000681556031 544693944 /nfs/dbraw/zinc/69/39/44/544693944.db2.gz SRPKOTZKGYWDFR-LLVKDONJSA-N -1 0 312.347 -0.598 20 0 DBADRM C[C@H]1C[C@H](C)CN(S(=O)(=O)N(CCO)CCC(=O)[O-])C1 ZINC000681585399 544694537 /nfs/dbraw/zinc/69/45/37/544694537.db2.gz UPWIGEZKYHQNFJ-QWRGUYRKSA-N -1 0 308.400 -0.022 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-] ZINC000681580932 544694822 /nfs/dbraw/zinc/69/48/22/544694822.db2.gz QOKIRMFBIWEQAL-MRVPVSSYSA-N -1 0 316.291 -0.089 20 0 DBADRM CN1C[C@@H](NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1=O ZINC000667835625 544749930 /nfs/dbraw/zinc/74/99/30/544749930.db2.gz VQPCFLQIGFINBL-JTQLQIEISA-N -1 0 302.290 -0.010 20 0 DBADRM CN1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1=O ZINC000667835652 544749956 /nfs/dbraw/zinc/74/99/56/544749956.db2.gz WILDWAWVUFAHCQ-ZETCQYMHSA-N -1 0 313.335 -1.000 20 0 DBADRM CN1C[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1=O ZINC000667835651 544750298 /nfs/dbraw/zinc/75/02/98/544750298.db2.gz WILDWAWVUFAHCQ-SSDOTTSWSA-N -1 0 313.335 -1.000 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](Nc2nccn3nnnc23)C1=O ZINC000668171830 544757915 /nfs/dbraw/zinc/75/79/15/544757915.db2.gz FIEQNBVLIFEIKN-IUCAKERBSA-N -1 0 319.325 -0.359 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCC(=O)N2CCOCC2)CCC1 ZINC000317499079 544739218 /nfs/dbraw/zinc/73/92/18/544739218.db2.gz DEQUNDMEBAJTRK-UHFFFAOYSA-N -1 0 313.354 -0.211 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)C[C@H](C)O1 ZINC000221128632 544743342 /nfs/dbraw/zinc/74/33/42/544743342.db2.gz RVVRXIBLFSTEBI-NGZCFLSTSA-N -1 0 324.424 -0.110 20 0 DBADRM NC(=O)N[C@@H](CC(=O)NCc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000673948516 544817030 /nfs/dbraw/zinc/81/70/30/544817030.db2.gz ACATYBYXHJMAEC-VIFPVBQESA-N -1 0 304.310 -0.074 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)NCc3cocn3)cc-2c(=O)[n-]1 ZINC000674487104 544829734 /nfs/dbraw/zinc/82/97/34/544829734.db2.gz BIDHPLNUXYHTQX-UHFFFAOYSA-N -1 0 323.290 -0.098 20 0 DBADRM O=S1(=O)[N-]C(CN2C[C@H](O)C[C@H](O)C2)=Nc2ccccc21 ZINC000674496796 544830517 /nfs/dbraw/zinc/83/05/17/544830517.db2.gz AJEODZYFPVAFHK-AOOOYVTPSA-N -1 0 311.363 -0.564 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000673122526 544796774 /nfs/dbraw/zinc/79/67/74/544796774.db2.gz UWRCDOCHTNBFEX-ZKWXMUAHSA-N -1 0 311.367 -0.285 20 0 DBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCc1nnn[n-]1 ZINC000674668433 544833954 /nfs/dbraw/zinc/83/39/54/544833954.db2.gz YBUGQIPLHTXTNA-UHFFFAOYSA-N -1 0 314.327 -0.719 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)Nc1cccnc1-n1cncn1 ZINC000675568085 544850515 /nfs/dbraw/zinc/85/05/15/544850515.db2.gz JTRVTDSXHIWSHC-UHFFFAOYSA-N -1 0 301.270 -0.192 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CCO1 ZINC000676019688 544855832 /nfs/dbraw/zinc/85/58/32/544855832.db2.gz UYHNAWISUMOVDD-AXFHLTTASA-N -1 0 324.333 -0.526 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000675966111 544854793 /nfs/dbraw/zinc/85/47/93/544854793.db2.gz AUERRSKNTOKUEH-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM C[C@]1(c2cccc(C(=O)NCc3nnn[n-]3)c2)NC(=O)NC1=O ZINC000676171885 544858296 /nfs/dbraw/zinc/85/82/96/544858296.db2.gz BNUSQHZRPPILHK-CYBMUJFWSA-N -1 0 315.293 -0.816 20 0 DBADRM Cc1ccc2ncc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c(=O)n2c1 ZINC000676214494 544859530 /nfs/dbraw/zinc/85/95/30/544859530.db2.gz SORIHEDOBQXILM-LLVKDONJSA-N -1 0 317.301 -0.071 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cn(Cc2ccccn2)nn1 ZINC000676209376 544859780 /nfs/dbraw/zinc/85/97/80/544859780.db2.gz YGZLCVKIJGTNAC-UHFFFAOYSA-N -1 0 319.321 -0.105 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000676209512 544859842 /nfs/dbraw/zinc/85/98/42/544859842.db2.gz SRDVOSJCWASWIW-UHFFFAOYSA-N -1 0 306.296 -0.900 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)nn1 ZINC000676215088 544860125 /nfs/dbraw/zinc/86/01/25/544860125.db2.gz NILVXQIRFSQROX-SNVBAGLBSA-N -1 0 324.337 -0.181 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000676212764 544860167 /nfs/dbraw/zinc/86/01/67/544860167.db2.gz BFKQLTQWNYXJHL-NSHDSACASA-N -1 0 308.290 -0.054 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000676688091 544875419 /nfs/dbraw/zinc/87/54/19/544875419.db2.gz GZXMRMYUQFXJSH-UHFFFAOYSA-N -1 0 302.356 -0.422 20 0 DBADRM O=C(CNC(=O)c1ccncc1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000677924764 544901401 /nfs/dbraw/zinc/90/14/01/544901401.db2.gz AKFDXLZITZNQHX-NSHDSACASA-N -1 0 315.337 -0.269 20 0 DBADRM CC(C)OCCN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000677950449 544902590 /nfs/dbraw/zinc/90/25/90/544902590.db2.gz SWKPRETZCNWPRH-UHFFFAOYSA-N -1 0 311.342 -0.534 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000677949655 544903145 /nfs/dbraw/zinc/90/31/45/544903145.db2.gz XWVIFRZCFDDKTA-JTQLQIEISA-N -1 0 315.289 -0.404 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC(CO)CO ZINC000680454965 544948179 /nfs/dbraw/zinc/94/81/79/544948179.db2.gz VZWGNBOMPBGBBU-UHFFFAOYSA-N -1 0 302.352 -0.469 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000678431334 544913995 /nfs/dbraw/zinc/91/39/95/544913995.db2.gz BDONKDXAVYAFRR-QMMMGPOBSA-N -1 0 302.356 -0.422 20 0 DBADRM Cn1nnnc1CCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000678581467 544918987 /nfs/dbraw/zinc/91/89/87/544918987.db2.gz SCCJTQKNCCHORS-UHFFFAOYSA-N -1 0 315.293 -0.474 20 0 DBADRM NC(=O)Cn1cc(C(=O)NCc2cccc(C(=O)[O-])c2)nn1 ZINC000678933728 544923056 /nfs/dbraw/zinc/92/30/56/544923056.db2.gz YZLOUXBUKDAHSY-UHFFFAOYSA-N -1 0 303.278 -0.608 20 0 DBADRM CN(CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)S(C)(=O)=O ZINC000678988544 544924033 /nfs/dbraw/zinc/92/40/33/544924033.db2.gz WUMGLMKLZPXTGK-LLVKDONJSA-N -1 0 318.326 -0.041 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000679506051 544932713 /nfs/dbraw/zinc/93/27/13/544932713.db2.gz OSXFAWNUMPNBLC-UHFFFAOYSA-N -1 0 312.293 -0.155 20 0 DBADRM CN(CCCNC(=O)N(CC(=O)[O-])C1CC1)S(C)(=O)=O ZINC000679547719 544933488 /nfs/dbraw/zinc/93/34/88/544933488.db2.gz CAMVAQUVLYZOSZ-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)NC2(C(=O)[O-])CC2)CC1 ZINC000679554873 544933665 /nfs/dbraw/zinc/93/36/65/544933665.db2.gz FRLWKQIJBFVXPM-UHFFFAOYSA-N -1 0 319.383 -0.426 20 0 DBADRM Cc1cc(C(=O)NCc2cn(C)nn2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000679994938 544942544 /nfs/dbraw/zinc/94/25/44/544942544.db2.gz SVZSVDCOIZOZDQ-UHFFFAOYSA-N -1 0 315.293 -0.197 20 0 DBADRM O=C(NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccccc1 ZINC000682366265 544997341 /nfs/dbraw/zinc/99/73/41/544997341.db2.gz CEIXXGMXMIUANA-UHFFFAOYSA-N -1 0 317.305 -0.167 20 0 DBADRM COC[C@](C)(CO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000681070999 544961854 /nfs/dbraw/zinc/96/18/54/544961854.db2.gz MNGRSWSAZFEXSJ-ZDUSSCGKSA-N -1 0 308.294 -0.437 20 0 DBADRM Cc1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1S(N)(=O)=O ZINC000681130483 544963789 /nfs/dbraw/zinc/96/37/89/544963789.db2.gz SKRMYYJSAJKAQT-LBPRGKRZSA-N -1 0 316.335 -0.792 20 0 DBADRM Cc1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1S(N)(=O)=O ZINC000681130466 544964018 /nfs/dbraw/zinc/96/40/18/544964018.db2.gz SKRMYYJSAJKAQT-GFCCVEGCSA-N -1 0 316.335 -0.792 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1CCCN1S(C)(=O)=O)c1nnn[n-]1 ZINC000681353955 544970908 /nfs/dbraw/zinc/97/09/08/544970908.db2.gz YUVPIWDDLLBNAV-RKDXNWHRSA-N -1 0 316.387 -0.814 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)CC[C@H]1CCCO1 ZINC000681555493 544975096 /nfs/dbraw/zinc/97/50/96/544975096.db2.gz BPQRZIUHVFIWGB-MNOVXSKESA-N -1 0 317.367 -0.106 20 0 DBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000681585814 544975942 /nfs/dbraw/zinc/97/59/42/544975942.db2.gz KLGDFLHQWZBUKG-UHFFFAOYSA-N -1 0 319.383 -0.388 20 0 DBADRM Cc1c([C@@H](NS(=O)(=O)N(C)C2CC2)C(=O)[O-])cnn1C ZINC000682699058 545004027 /nfs/dbraw/zinc/00/40/27/545004027.db2.gz TXNKBKYUJOKCEP-SNVBAGLBSA-N -1 0 302.356 -0.217 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)C3CC(C(=O)[O-])C3)C2=O)cn1 ZINC000682703389 545004865 /nfs/dbraw/zinc/00/48/65/545004865.db2.gz GVMCCSAIJATPDX-NWGYLPEXSA-N -1 0 306.322 -0.248 20 0 DBADRM C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NCc1nnn[n-]1 ZINC000683179795 545007726 /nfs/dbraw/zinc/00/77/26/545007726.db2.gz OYEVPIRVSVZSID-AWEZNQCLSA-N -1 0 316.321 -0.777 20 0 DBADRM O=C(CN1CCOCC1=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000684133183 545017449 /nfs/dbraw/zinc/01/74/49/545017449.db2.gz GRTDATWHKDNLBX-UHFFFAOYSA-N -1 0 318.289 -0.173 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CC(=O)NCc2nnn[n-]2)cc1 ZINC000684439694 545020635 /nfs/dbraw/zinc/02/06/35/545020635.db2.gz COYCTFKGYRMLHA-UHFFFAOYSA-N -1 0 324.366 -0.691 20 0 DBADRM COCC1(C(=O)[O-])CCN(S(=O)(=O)c2cn(C)cn2)CC1 ZINC000684562289 545021535 /nfs/dbraw/zinc/02/15/35/545021535.db2.gz YFJYILCYGAAGKH-UHFFFAOYSA-N -1 0 317.367 -0.078 20 0 DBADRM COC[C@H](C)CS(=O)(=O)NCC(=O)Nc1ccn(C)n1 ZINC000685509457 545032519 /nfs/dbraw/zinc/03/25/19/545032519.db2.gz XQSVYFXTVKWHIG-VIFPVBQESA-N -1 0 304.372 -0.440 20 0 DBADRM O=C(NCCCc1nc(=O)[nH][nH]1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000176267897 545036352 /nfs/dbraw/zinc/03/63/52/545036352.db2.gz VOUYUYUZEOUVJZ-JTQLQIEISA-N -1 0 321.381 -0.062 20 0 DBADRM NS(=O)(=O)c1ccc(N2CCC[C@@H](O)C2)c(C(=O)[O-])c1 ZINC000042315876 545037043 /nfs/dbraw/zinc/03/70/43/545037043.db2.gz QSRAVNSSLKJZIJ-MRVPVSSYSA-N -1 0 300.336 -0.007 20 0 DBADRM COCC[C@@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000052784661 545037870 /nfs/dbraw/zinc/03/78/70/545037870.db2.gz BFXFCGUCBPKXCO-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM C[C@@]1(O)CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C1 ZINC000235387220 265676039 /nfs/dbraw/zinc/67/60/39/265676039.db2.gz PHSJHDWKGZZJQH-GFCCVEGCSA-N -1 0 300.336 -0.007 20 0 DBADRM Cn1cc(S(=O)(=O)NCCC[S@](C)=O)cc1C(=O)[O-] ZINC000229193547 265676045 /nfs/dbraw/zinc/67/60/45/265676045.db2.gz NXHTYJHHBUCPFB-SFHVURJKSA-N -1 0 308.381 -0.230 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000420569413 265861746 /nfs/dbraw/zinc/86/17/46/265861746.db2.gz XWRZJMGGTMGORK-MVWJERBFSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCC(C)(C)O)C1 ZINC000422700888 265879498 /nfs/dbraw/zinc/87/94/98/265879498.db2.gz CNRHETWYTNCLHH-NXEZZACHSA-N -1 0 300.355 -0.167 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C[C@@H]1OC ZINC000422868820 265882450 /nfs/dbraw/zinc/88/24/50/265882450.db2.gz WFHDMIXIJQVDRB-BBBLOLIVSA-N -1 0 302.327 -0.962 20 0 DBADRM CCc1cnccc1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424249061 265928343 /nfs/dbraw/zinc/92/83/43/265928343.db2.gz STFOLBIUBMJPEE-LLVKDONJSA-N -1 0 312.347 -0.032 20 0 DBADRM CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424265735 265930506 /nfs/dbraw/zinc/93/05/06/265930506.db2.gz VVRNSKYATLUVLZ-AXFHLTTASA-N -1 0 319.379 -0.242 20 0 DBADRM C[C@@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H]1C(=O)[O-] ZINC000424272335 265930640 /nfs/dbraw/zinc/93/06/40/265930640.db2.gz ZRVLUPRIXNFWGT-SKDRFNHKSA-N -1 0 323.353 -0.308 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2CCC[C@@H]2F)CCS1(=O)=O ZINC000424394833 265931027 /nfs/dbraw/zinc/93/10/27/265931027.db2.gz DTTSEKVSWRUEAW-DJLDLDEBSA-N -1 0 308.331 -0.230 20 0 DBADRM COc1ncc(Cl)c(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424471511 265935510 /nfs/dbraw/zinc/93/55/10/265935510.db2.gz NMHZAWZJCGUUHM-SSDOTTSWSA-N -1 0 321.742 -0.173 20 0 DBADRM Cc1cc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n2ncnc2n1 ZINC000424478783 265935901 /nfs/dbraw/zinc/93/59/01/265935901.db2.gz XIXZFGCWRDIIIL-MRVPVSSYSA-N -1 0 311.323 -0.879 20 0 DBADRM Cn1ncc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(Cl)c1=O ZINC000424476395 265936615 /nfs/dbraw/zinc/93/66/15/265936615.db2.gz UOBRZTRNZWUKAU-SSDOTTSWSA-N -1 0 321.742 -0.878 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCCn2ncnn2)c1 ZINC000424726153 265940492 /nfs/dbraw/zinc/94/04/92/265940492.db2.gz IQAKJUHYNBNZKM-NRFANRHFSA-N -1 0 309.351 -0.394 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000428048251 265971296 /nfs/dbraw/zinc/97/12/96/265971296.db2.gz HXUMPCGIMAKTDT-SNVBAGLBSA-N -1 0 319.273 -0.651 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)NC1(c2nnn[n-]2)CC1)n1cccn1 ZINC000430314635 266002228 /nfs/dbraw/zinc/00/22/28/266002228.db2.gz KOEZEIRKFPAOPE-SECBINFHSA-N -1 0 318.341 -0.779 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC(=O)NC2)oc1C ZINC000431810941 266025710 /nfs/dbraw/zinc/02/57/10/266025710.db2.gz JIJVSUCBRYRQHH-MRVPVSSYSA-N -1 0 316.335 -0.068 20 0 DBADRM CCOC[C@H](O)CNC(=O)c1ccc(S(=O)(=O)NC)o1 ZINC000433352765 266039326 /nfs/dbraw/zinc/03/93/26/266039326.db2.gz JZZATFXONOQXDL-MRVPVSSYSA-N -1 0 306.340 -0.685 20 0 DBADRM CN(C)c1ccc(CNC(=O)c2cnc([O-])n(C)c2=O)cn1 ZINC000434865896 266056943 /nfs/dbraw/zinc/05/69/43/266056943.db2.gz AIJYADQYPALTEB-UHFFFAOYSA-N -1 0 303.322 -0.123 20 0 DBADRM COC(=O)c1cc(NC(=O)c2cnc([O-])n(C)c2=O)cn1C ZINC000435367494 266061209 /nfs/dbraw/zinc/06/12/09/266061209.db2.gz WWCUJPODIKCXEK-UHFFFAOYSA-N -1 0 306.278 -0.137 20 0 DBADRM C[C@@H](CCN1CCOCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC000435363189 266061326 /nfs/dbraw/zinc/06/13/26/266061326.db2.gz JXACUCXBLVVJFJ-JTQLQIEISA-N -1 0 310.354 -0.674 20 0 DBADRM C[C@H](O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436697991 266069626 /nfs/dbraw/zinc/06/96/26/266069626.db2.gz MTQMKYOYVSFNBP-QMMMGPOBSA-N -1 0 302.352 -0.247 20 0 DBADRM Cc1ccc(C(=O)NCCC(=O)NCc2n[nH]c(=O)[n-]2)c(O)c1 ZINC000436959990 266072453 /nfs/dbraw/zinc/07/24/53/266072453.db2.gz BUARGZPORSPCKZ-UHFFFAOYSA-N -1 0 319.321 -0.039 20 0 DBADRM CCC[C@@]1(C)C(=O)NCCN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000438627300 266081106 /nfs/dbraw/zinc/08/11/06/266081106.db2.gz AFHCHSFXCZCNOF-ZDUSSCGKSA-N -1 0 309.326 -0.399 20 0 DBADRM CCOC(=O)[C@]1(COC)CCCN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000439468301 266091019 /nfs/dbraw/zinc/09/10/19/266091019.db2.gz LDPKVEPBIWIDQT-CQSZACIVSA-N -1 0 312.370 -0.100 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000442750228 266128752 /nfs/dbraw/zinc/12/87/52/266128752.db2.gz OXPBVJHDUMTQFE-VIFPVBQESA-N -1 0 321.337 -0.158 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N(CC(=O)[O-])[C@@H](C)CC ZINC000442733328 266128851 /nfs/dbraw/zinc/12/88/51/266128851.db2.gz CFJIHGIVAWYJJN-JTQLQIEISA-N -1 0 324.399 -0.346 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@H]1C)C(=O)OC ZINC000442735570 266128871 /nfs/dbraw/zinc/12/88/71/266128871.db2.gz JNDXDNHOYWXMSH-CIUDSAMLSA-N -1 0 309.340 -0.812 20 0 DBADRM CCOC(=O)CN(CCOC)S(=O)(=O)[N-]CC(F)(F)F ZINC000442913120 266131942 /nfs/dbraw/zinc/13/19/42/266131942.db2.gz PAJBTRACCJIWMC-UHFFFAOYSA-N -1 0 322.305 -0.105 20 0 DBADRM CNC(=O)[C@@H]1CCCN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000442959774 266133195 /nfs/dbraw/zinc/13/31/95/266133195.db2.gz ZUJJYOLHKVPZKE-SSDOTTSWSA-N -1 0 303.306 -0.159 20 0 DBADRM CNC(=O)[C@H]1CCCN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000442959776 266134062 /nfs/dbraw/zinc/13/40/62/266134062.db2.gz ZUJJYOLHKVPZKE-ZETCQYMHSA-N -1 0 303.306 -0.159 20 0 DBADRM Cc1ncc(CNS(=O)(=O)[N-]CC(F)(F)F)c(=O)[nH]1 ZINC000443038469 266134668 /nfs/dbraw/zinc/13/46/68/266134668.db2.gz DZHBEFICKXCKQO-UHFFFAOYSA-N -1 0 300.262 -0.023 20 0 DBADRM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)[N-]CC(F)(F)F ZINC000443043512 266135403 /nfs/dbraw/zinc/13/54/03/266135403.db2.gz ZZNBPQZUZXTRAN-BQBZGAKWSA-N -1 0 303.306 -0.113 20 0 DBADRM O=c1cc2c(n[nH]1)CCN(S(=O)(=O)[N-]CC(F)(F)F)C2 ZINC000443210798 266138586 /nfs/dbraw/zinc/13/85/86/266138586.db2.gz WZNNGUHYHLUWAT-UHFFFAOYSA-N -1 0 312.273 -0.063 20 0 DBADRM CC(C)(NC(=O)CNC(=O)C=Cc1cccnc1)c1nnn[n-]1 ZINC000492041501 266151359 /nfs/dbraw/zinc/15/13/59/266151359.db2.gz NSBRNPFHDGATGL-AATRIKPKSA-N -1 0 315.337 -0.224 20 0 DBADRM Cn1cc(/C=C\C(=O)NCCCCCC(=O)[O-])c(=O)n(C)c1=O ZINC000492136864 266153009 /nfs/dbraw/zinc/15/30/09/266153009.db2.gz ILINVEJVQROPRP-FPLPWBNLSA-N -1 0 323.349 -0.142 20 0 DBADRM Cn1cc(/C=C\C(=O)NC2(CC(=O)[O-])CCC2)c(=O)n(C)c1=O ZINC000492135464 266153779 /nfs/dbraw/zinc/15/37/79/266153779.db2.gz GDMTXDHIZMYWCJ-PLNGDYQASA-N -1 0 321.333 -0.389 20 0 DBADRM C[C@@H](CN(C)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000492180460 266154732 /nfs/dbraw/zinc/15/47/32/266154732.db2.gz JUZHIVUMIKDTBJ-UDIARPCQSA-N -1 0 309.322 -0.724 20 0 DBADRM COc1cc(/C=C\C(=O)NCC(=O)[O-])ccc1OCC(N)=O ZINC000492158259 266154790 /nfs/dbraw/zinc/15/47/90/266154790.db2.gz WKPXHXVLYXJVED-HYXAFXHYSA-N -1 0 308.290 -0.227 20 0 DBADRM C[C@@H](CN(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000492180409 266155156 /nfs/dbraw/zinc/15/51/56/266155156.db2.gz JUZHIVUMIKDTBJ-CYNONHLPSA-N -1 0 309.322 -0.724 20 0 DBADRM CC(C)(C)OC(=O)N1CC(C)(OCC(=O)[N-]OCC(N)=O)C1 ZINC000492216897 266155383 /nfs/dbraw/zinc/15/53/83/266155383.db2.gz ZNWIWQFUWSUAMY-UHFFFAOYSA-N -1 0 317.342 -0.455 20 0 DBADRM C[C@H](CN(C)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000492180459 266155697 /nfs/dbraw/zinc/15/56/97/266155697.db2.gz JUZHIVUMIKDTBJ-SSJHQANKSA-N -1 0 309.322 -0.724 20 0 DBADRM C[C@H](CNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)CC(=O)[O-] ZINC000492351744 266159714 /nfs/dbraw/zinc/15/97/14/266159714.db2.gz VFJDDJPULMOGBP-WBSSQXGSSA-N -1 0 309.322 -0.676 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@](C)(C(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000492386364 266160109 /nfs/dbraw/zinc/16/01/09/266160109.db2.gz MIXMWACMOXOILD-QZDDGCDVSA-N -1 0 321.333 -0.533 20 0 DBADRM C[C@](O)(CNC(=O)CCNC(=O)/C=C\c1ccco1)C(=O)[O-] ZINC000492625180 266162820 /nfs/dbraw/zinc/16/28/20/266162820.db2.gz VKGZSMPZEVMZKT-WSNITJDQSA-N -1 0 310.306 -0.249 20 0 DBADRM COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)c2ccnn2C)cn1 ZINC000492641231 266162836 /nfs/dbraw/zinc/16/28/36/266162836.db2.gz CGJHELYOHVBCAU-ONEGZZNKSA-N -1 0 323.334 -0.263 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)/C=C\SCc1ccco1 ZINC000492647191 266162954 /nfs/dbraw/zinc/16/29/54/266162954.db2.gz XFXHYYPLLTXMTE-HYXAFXHYSA-N -1 0 304.349 -0.042 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C/c1cnc(OC)nc1 ZINC000492732971 266164309 /nfs/dbraw/zinc/16/43/09/266164309.db2.gz HAQSORNEVPMPIE-XNPJLODASA-N -1 0 315.351 -0.021 20 0 DBADRM Cc1cccnc1/C=C\C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000492811445 266165310 /nfs/dbraw/zinc/16/53/10/266165310.db2.gz UJOUFOUMMZNVFU-WAYWQWQTSA-N -1 0 311.363 -0.015 20 0 DBADRM O=C(/C=C\COCC(F)(F)F)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000493144921 266169680 /nfs/dbraw/zinc/16/96/80/266169680.db2.gz FPFUMVBKUJZCPS-JQSQLHRZSA-N -1 0 321.255 -0.116 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)/C=C/c1ccnn1C ZINC000493189903 266172161 /nfs/dbraw/zinc/17/21/61/266172161.db2.gz NYEYHSLRXSELJZ-SNAWJCMRSA-N -1 0 309.351 -0.020 20 0 DBADRM COCC[C@@H](NC(=O)CNC(=O)/C=C/c1cccnc1)C(=O)[O-] ZINC000493172244 266172193 /nfs/dbraw/zinc/17/21/93/266172193.db2.gz PSLUYASQWFNOMS-ZYOFXKKJSA-N -1 0 321.333 -0.183 20 0 DBADRM CNC(=O)c1cncc(C=CC(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000493285631 266173233 /nfs/dbraw/zinc/17/32/33/266173233.db2.gz ACABIPHMDKPFBL-NSCUHMNNSA-N -1 0 313.321 -0.227 20 0 DBADRM COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)C[C@H](C)OC)cn1 ZINC000493327437 266175097 /nfs/dbraw/zinc/17/50/97/266175097.db2.gz AHWMOKHEAVEQFW-MOVJSRMASA-N -1 0 315.351 -0.021 20 0 DBADRM COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)cn1 ZINC000493327444 266175270 /nfs/dbraw/zinc/17/52/70/266175270.db2.gz AHWMOKHEAVEQFW-XRVBUDJMSA-N -1 0 315.351 -0.021 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)/C=C\c2cccnc2)CCS1(=O)=O ZINC000493501116 266177808 /nfs/dbraw/zinc/17/78/08/266177808.db2.gz VMGBGUDAFGSVPG-DLRQAJBASA-N -1 0 310.331 -0.195 20 0 DBADRM NC(=O)c1ccc(C=CC(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000493684495 266180950 /nfs/dbraw/zinc/18/09/50/266180950.db2.gz DEIHLLGXEGNYOB-UTCJRWHESA-N -1 0 302.290 -0.166 20 0 DBADRM O=C(/C=C/c1cccnc1)NCC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000493698481 266181003 /nfs/dbraw/zinc/18/10/03/266181003.db2.gz UNFICIXJTSXGOQ-NHZBNJEXSA-N -1 0 319.317 -0.429 20 0 DBADRM Cc1c(/C=C\C(=O)NCCC(=O)[N-]S(C)(=O)=O)cnn1C ZINC000493830412 266182451 /nfs/dbraw/zinc/18/24/51/266182451.db2.gz YDDOKDCDJXCHNW-PLNGDYQASA-N -1 0 314.367 -0.676 20 0 DBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000493995482 266184342 /nfs/dbraw/zinc/18/43/42/266184342.db2.gz PKRGOBLZFZSAOZ-UHFFFAOYSA-N -1 0 316.339 -0.192 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000494078579 266186970 /nfs/dbraw/zinc/18/69/70/266186970.db2.gz NPFUBRHNVYCKGD-IUCAKERBSA-N -1 0 308.356 -0.254 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000494167487 266189970 /nfs/dbraw/zinc/18/99/70/266189970.db2.gz RDAHGLGTECYKOV-BYPYZUCNSA-N -1 0 323.356 -0.407 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000494300306 266191751 /nfs/dbraw/zinc/19/17/51/266191751.db2.gz SJPVKTYYKWJHSV-YFKPBYRVSA-N -1 0 324.746 -0.377 20 0 DBADRM CC(C)(C)OC(=O)N1CC(OCC(=O)[N-]OCC(N)=O)C1 ZINC000494384195 266192925 /nfs/dbraw/zinc/19/29/25/266192925.db2.gz ZWYJZONDQZXXAD-UHFFFAOYSA-N -1 0 303.315 -0.845 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000494446698 266193222 /nfs/dbraw/zinc/19/32/22/266193222.db2.gz WHKHERYWCPMURC-ANRSDYALSA-N -1 0 318.333 -0.265 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)[N-]O[C@H]1CCOC1 ZINC000495151775 266200976 /nfs/dbraw/zinc/20/09/76/266200976.db2.gz BRLSDPBVCOXJIS-VIFPVBQESA-N -1 0 317.342 -0.536 20 0 DBADRM CC(=O)NCCN(C(=O)CCN1CCOC1=O)[C@H](C)C(=O)[O-] ZINC000495281777 266201990 /nfs/dbraw/zinc/20/19/90/266201990.db2.gz QDIHAGOZGZUFLQ-SECBINFHSA-N -1 0 315.326 -0.734 20 0 DBADRM C[C@@H](CNC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000495615912 266210110 /nfs/dbraw/zinc/21/01/10/266210110.db2.gz CJNXHXAYYPLWLQ-ZETCQYMHSA-N -1 0 323.371 -0.922 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000495613286 266210795 /nfs/dbraw/zinc/21/07/95/266210795.db2.gz VVTAURYEPQVLRU-UHFFFAOYSA-N -1 0 304.328 -0.375 20 0 DBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)C1(C)COC1 ZINC000495620389 266211756 /nfs/dbraw/zinc/21/17/56/266211756.db2.gz GIZNODUWJHMWNW-UHFFFAOYSA-N -1 0 322.383 -0.006 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000495693159 266213688 /nfs/dbraw/zinc/21/36/88/266213688.db2.gz YUUTZGDYCJFSGD-JTQLQIEISA-N -1 0 322.383 -0.005 20 0 DBADRM CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)[N-]OCC(N)=O ZINC000495801448 266218395 /nfs/dbraw/zinc/21/83/95/266218395.db2.gz PKLNBNARQKLCNW-NSHDSACASA-N -1 0 309.322 -0.123 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000495840712 266219567 /nfs/dbraw/zinc/21/95/67/266219567.db2.gz LBVPJZVFANKRTE-UHFFFAOYSA-N -1 0 318.355 -0.330 20 0 DBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000496264124 266231641 /nfs/dbraw/zinc/23/16/41/266231641.db2.gz NOWNBRSXZBZSCB-VIFPVBQESA-N -1 0 315.326 -0.686 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)OCC(F)(F)F)CCS1(=O)=O ZINC000496380621 266234217 /nfs/dbraw/zinc/23/42/17/266234217.db2.gz ALCIOPNUMRJOJR-RXMQYKEDSA-N -1 0 305.230 -0.131 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)C1(COC)CC1 ZINC000496387397 266234770 /nfs/dbraw/zinc/23/47/70/266234770.db2.gz SVUOWJNFKDAGAU-UHFFFAOYSA-N -1 0 308.356 -0.252 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000496585556 266240432 /nfs/dbraw/zinc/24/04/32/266240432.db2.gz QVRAWVVOROVCIV-UHFFFAOYSA-N -1 0 316.339 -0.668 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)OCC(F)(F)F ZINC000496683306 266243443 /nfs/dbraw/zinc/24/34/43/266243443.db2.gz ORDKZTOSOZNCGT-SCSAIBSYSA-N -1 0 310.188 -0.049 20 0 DBADRM COC(=O)N1CCC(NC(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC000496802851 266246777 /nfs/dbraw/zinc/24/67/77/266246777.db2.gz KEGMECGUNGPQEA-UHFFFAOYSA-N -1 0 315.326 -0.686 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000497067720 266253436 /nfs/dbraw/zinc/25/34/36/266253436.db2.gz YQVIPVRXUXPQRM-UHFFFAOYSA-N -1 0 318.355 -0.330 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000514600881 266261117 /nfs/dbraw/zinc/26/11/17/266261117.db2.gz UYWBZBNNXCHXNI-PWSUYJOCSA-N -1 0 320.367 -0.729 20 0 DBADRM C[C@@H](NS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])c1cnn(C)c1 ZINC000514600127 266261777 /nfs/dbraw/zinc/26/17/77/266261777.db2.gz LONUUMLSMFMFOJ-PSASIEDQSA-N -1 0 302.356 -0.136 20 0 DBADRM NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1n[nH]c(=O)[n-]1 ZINC000514685820 266263388 /nfs/dbraw/zinc/26/33/88/266263388.db2.gz DUGIAVFFXUDDFZ-QMMMGPOBSA-N -1 0 309.713 -0.010 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000514861099 266266152 /nfs/dbraw/zinc/26/61/52/266266152.db2.gz PYJGAPMDDIMOCV-ZRUFSTJUSA-N -1 0 307.368 -0.037 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000514862901 266266334 /nfs/dbraw/zinc/26/63/34/266266334.db2.gz HXVVLJRBAALZBB-UJNFCWOMSA-N -1 0 303.340 -0.357 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)[C@H]1CCCOC1 ZINC000514989205 266266996 /nfs/dbraw/zinc/26/69/96/266266996.db2.gz QSXAJETZGLBRMG-KWBADKCTSA-N -1 0 310.350 -0.007 20 0 DBADRM COCC1(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000514941823 266267652 /nfs/dbraw/zinc/26/76/52/266267652.db2.gz HZNOORNAWVYQRV-VIFPVBQESA-N -1 0 320.367 -0.982 20 0 DBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1COC[C@H]1O ZINC000516585205 266282137 /nfs/dbraw/zinc/28/21/37/266282137.db2.gz KUCRHEWYVIPYHS-RKDXNWHRSA-N -1 0 321.376 -0.872 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NCCOCC(=O)[O-])CCC1 ZINC000516559553 266282182 /nfs/dbraw/zinc/28/21/82/266282182.db2.gz AWNQCJWCWGZGCD-UHFFFAOYSA-N -1 0 309.340 -0.650 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000516475876 266282354 /nfs/dbraw/zinc/28/23/54/266282354.db2.gz NFJXAYZAUIBZRV-GSPBMFHYSA-N -1 0 311.381 -0.989 20 0 DBADRM CN(CCn1cccn1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000516766328 266284571 /nfs/dbraw/zinc/28/45/71/266284571.db2.gz IGSNVORTLJQCNG-UHFFFAOYSA-N -1 0 316.383 -0.144 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@H](CCO)C(=O)[O-])CCCC1 ZINC000516823975 266284598 /nfs/dbraw/zinc/28/45/98/266284598.db2.gz HSSFUEFHAMPEHA-SECBINFHSA-N -1 0 323.367 -0.525 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)C2(C(=O)[O-])CCC2)C1 ZINC000516973511 266288369 /nfs/dbraw/zinc/28/83/69/266288369.db2.gz XHBAWTLJLJZWBH-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM COCCCN(C(=O)[C@H](C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000517142581 266289472 /nfs/dbraw/zinc/28/94/72/266289472.db2.gz RXAKTILWCYXSJQ-UWVGGRQHSA-N -1 0 307.368 -0.241 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cnn(C)c1C ZINC000517138154 266289974 /nfs/dbraw/zinc/28/99/74/266289974.db2.gz XTXVHMLNVAHQBP-NSHDSACASA-N -1 0 305.356 -0.113 20 0 DBADRM C[C@H]1CN(CCNS(=O)(=O)[N-]CC(F)(F)F)CCO1 ZINC000517069588 266290037 /nfs/dbraw/zinc/29/00/37/266290037.db2.gz AOOIERKCCJVZQM-QMMMGPOBSA-N -1 0 305.322 -0.307 20 0 DBADRM C[C@H](COC1CCCC1)CS(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000517377499 266293193 /nfs/dbraw/zinc/29/31/93/266293193.db2.gz VHCCTUSMOIWRAK-KOLCDFICSA-N -1 0 309.384 -0.053 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC000517560404 266294349 /nfs/dbraw/zinc/29/43/49/266294349.db2.gz GBHSRRQLNVVZBL-AEJSXWLSSA-N -1 0 315.351 -0.014 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000517560406 266294872 /nfs/dbraw/zinc/29/48/72/266294872.db2.gz GBHSRRQLNVVZBL-KXUCPTDWSA-N -1 0 315.351 -0.014 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000517906790 266297850 /nfs/dbraw/zinc/29/78/50/266297850.db2.gz IGLPWKWHJOMWCV-BDAKNGLRSA-N -1 0 303.340 -0.503 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2c[nH]cn2)C[C@]12CCOC2 ZINC000518294064 266299171 /nfs/dbraw/zinc/29/91/71/266299171.db2.gz NMKRSENLMJDEDK-KWQFWETISA-N -1 0 301.324 -0.479 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000518184752 266300439 /nfs/dbraw/zinc/30/04/39/266300439.db2.gz DNTHOSNGTAVSDB-VHSXEESVSA-N -1 0 321.399 -0.625 20 0 DBADRM Cn1[n-]nnc1=NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000518594249 266303089 /nfs/dbraw/zinc/30/30/89/266303089.db2.gz VAQRDUWDBPMJBC-ZDUSSCGKSA-N -1 0 301.310 -0.701 20 0 DBADRM CCN(Cc1ccccc1)S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000518564065 266303894 /nfs/dbraw/zinc/30/38/94/266303894.db2.gz FPQTZLOLGMSXRS-LLVKDONJSA-N -1 0 302.352 -0.212 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ccc2c(c1)C(=O)CCO2 ZINC000519771098 266314743 /nfs/dbraw/zinc/31/47/43/266314743.db2.gz KOFJVRUZQYAIFJ-SNVBAGLBSA-N -1 0 315.303 -0.624 20 0 DBADRM CO[C@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000519764483 266315232 /nfs/dbraw/zinc/31/52/32/266315232.db2.gz AVXDOZPOPXOAGP-UWVGGRQHSA-N -1 0 317.367 -0.019 20 0 DBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000520195413 266316758 /nfs/dbraw/zinc/31/67/58/266316758.db2.gz KFABLQHWTSKFGW-XKNYDFJKSA-N -1 0 323.367 -0.528 20 0 DBADRM COc1cccc(C(=O)NCCNC(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000520032342 266316923 /nfs/dbraw/zinc/31/69/23/266316923.db2.gz QIHFSJKJRCXWAP-UHFFFAOYSA-N -1 0 305.294 -0.321 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)n[n-]1 ZINC000520337040 266318482 /nfs/dbraw/zinc/31/84/82/266318482.db2.gz FNHCGNSHOAQOOK-ZCFIWIBFSA-N -1 0 313.339 -0.842 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])CC1 ZINC000520701892 266322842 /nfs/dbraw/zinc/32/28/42/266322842.db2.gz YAYGFVGSEIGTEG-SECBINFHSA-N -1 0 321.399 -0.085 20 0 DBADRM COCC1(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)CC1 ZINC000521271812 266326348 /nfs/dbraw/zinc/32/63/48/266326348.db2.gz MMULJFUJKJAIEJ-NXEZZACHSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])C[C@]1(NS(=O)(=O)CC[C@@H]2CCOC2)CCOC1 ZINC000521426906 266326386 /nfs/dbraw/zinc/32/63/86/266326386.db2.gz TWOZETBVTYDLRC-CMPLNLGQSA-N -1 0 307.368 -0.034 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000521431872 266328211 /nfs/dbraw/zinc/32/82/11/266328211.db2.gz AEYGACMKNBHUFJ-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)[C@H]1CO ZINC000521609665 266328818 /nfs/dbraw/zinc/32/88/18/266328818.db2.gz ADLKYQDCPOBCFZ-KZTGVZKYSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000522749337 266336109 /nfs/dbraw/zinc/33/61/09/266336109.db2.gz YIWPQQXOGKFFBD-QMMMGPOBSA-N -1 0 311.367 -0.310 20 0 DBADRM CCc1nsc(N2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)n1 ZINC000525263516 266345973 /nfs/dbraw/zinc/34/59/73/266345973.db2.gz GCDBRODIBNETKE-UHFFFAOYSA-N -1 0 309.355 -0.113 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@H]3CC[C@H](C(=O)[O-])O3)C2=O)cn1 ZINC000525951218 266349160 /nfs/dbraw/zinc/34/91/60/266349160.db2.gz KQQCYEYTADRNQW-HBNTYKKESA-N -1 0 322.321 -0.726 20 0 DBADRM O=C(CNC(=O)C1CC1)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000526015708 266350615 /nfs/dbraw/zinc/35/06/15/266350615.db2.gz KOVCACQKXJGVAQ-UHFFFAOYSA-N -1 0 302.294 -0.167 20 0 DBADRM Cc1nc(=NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)s[n-]1 ZINC000528688057 266379598 /nfs/dbraw/zinc/37/95/98/266379598.db2.gz FHCDLVJWUVERSX-QMMMGPOBSA-N -1 0 304.397 -0.121 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C2CCC2)C1 ZINC000529001679 266382311 /nfs/dbraw/zinc/38/23/11/266382311.db2.gz LUBOMUDXCSCZPT-VIFPVBQESA-N -1 0 324.424 -0.344 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)CO1 ZINC000529104216 266383604 /nfs/dbraw/zinc/38/36/04/266383604.db2.gz IZZIECKMWMMEDI-JTQLQIEISA-N -1 0 314.363 -0.138 20 0 DBADRM C[C@@H]1CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)C1 ZINC000529104926 266383936 /nfs/dbraw/zinc/38/39/36/266383936.db2.gz NREJIHAVDHDVEG-AEJSXWLSSA-N -1 0 318.395 -0.085 20 0 DBADRM CC1(c2nc(=NC(=O)CC[C@H]3NC(=O)NC3=O)s[n-]2)CC1 ZINC000529702106 266393493 /nfs/dbraw/zinc/39/34/93/266393493.db2.gz HEARSRROIODACY-ZCFIWIBFSA-N -1 0 309.351 -0.062 20 0 DBADRM Cn1cnn(CCC(=O)N=c2nc(C3(C)CC3)[n-]s2)c1=O ZINC000529696661 266393852 /nfs/dbraw/zinc/39/38/52/266393852.db2.gz JWHZUDBIJCLSRI-UHFFFAOYSA-N -1 0 308.367 -0.065 20 0 DBADRM O=C(NC[C@H](O)[C@H]1CCCO1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000529765057 266398116 /nfs/dbraw/zinc/39/81/16/266398116.db2.gz LAUGMMFPYOKGHK-VHSXEESVSA-N -1 0 320.305 -0.294 20 0 DBADRM Cc1c(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cnn1C ZINC000530151212 266405920 /nfs/dbraw/zinc/40/59/20/266405920.db2.gz QGCSIVBSVUMWON-APPZFPTMSA-N -1 0 303.340 -0.409 20 0 DBADRM CC[C@H](CS(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])OC ZINC000263093769 287894075 /nfs/dbraw/zinc/89/40/75/287894075.db2.gz JCOMAMGTJHVSSI-MWLCHTKSSA-N -1 0 324.399 -0.348 20 0 DBADRM CC(=O)N1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000042679841 278003266 /nfs/dbraw/zinc/00/32/66/278003266.db2.gz OMQDUULTIBECIL-UHFFFAOYSA-N -1 0 315.351 -0.044 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc(C(N)=O)nc1)[C@@H](C)C(=O)[O-] ZINC000357768804 278107952 /nfs/dbraw/zinc/10/79/52/278107952.db2.gz CUPIXFISJUSOBK-QMMMGPOBSA-N -1 0 322.321 -0.768 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)[C@@H]1CCCOC1 ZINC000262466343 278112952 /nfs/dbraw/zinc/11/29/52/278112952.db2.gz TVFNXNLUBCKFCA-GXSJLCMTSA-N -1 0 322.383 -0.594 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)CCCCF ZINC000262307539 278113234 /nfs/dbraw/zinc/11/32/34/278113234.db2.gz MRVZVMMGUYDRAY-SECBINFHSA-N -1 0 312.363 -0.023 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000263473560 278113264 /nfs/dbraw/zinc/11/32/64/278113264.db2.gz IOMIWUBHIJGCFW-KKZNHRDASA-N -1 0 322.383 -0.595 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000263473558 278113275 /nfs/dbraw/zinc/11/32/75/278113275.db2.gz IOMIWUBHIJGCFW-FXPVBKGRSA-N -1 0 322.383 -0.595 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cn(C)cn1 ZINC000262496515 278113356 /nfs/dbraw/zinc/11/33/56/278113356.db2.gz YIKWDUYDLCUBNG-MRVPVSSYSA-N -1 0 318.355 -0.980 20 0 DBADRM CC[C@H](NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-] ZINC000262053249 288022233 /nfs/dbraw/zinc/02/22/33/288022233.db2.gz FVQVWAZZBPXHFD-WPRPVWTQSA-N -1 0 307.368 -0.052 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000261712590 522686273 /nfs/dbraw/zinc/68/62/73/522686273.db2.gz PXXZZQGIXSJLPM-SECBINFHSA-N -1 0 303.340 -0.060 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)CC(=O)N(C)C)C1=O ZINC000358714563 280187983 /nfs/dbraw/zinc/18/79/83/280187983.db2.gz MWIBCAGLLCBYDL-JOYOIKCWSA-N -1 0 313.354 -0.709 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cn1 ZINC000274989663 280767861 /nfs/dbraw/zinc/76/78/61/280767861.db2.gz YYSAPDIFZALJMQ-MRVPVSSYSA-N -1 0 304.328 -0.929 20 0 DBADRM CN1CC[C@H](C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC000262308931 290192755 /nfs/dbraw/zinc/19/27/55/290192755.db2.gz BEUKRAHCHIALQV-ZIBATOQPSA-N -1 0 310.350 -0.196 20 0 DBADRM CN1C[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000299676188 290277113 /nfs/dbraw/zinc/27/71/13/290277113.db2.gz QCSFQXRKHQLSNL-ZETCQYMHSA-N -1 0 303.278 -0.604 20 0 DBADRM COC[C@H](C)CS(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000263499121 293008127 /nfs/dbraw/zinc/00/81/27/293008127.db2.gz SFIJZIYUHZTTDH-UWVGGRQHSA-N -1 0 324.399 -0.490 20 0 DBADRM CO[C@@H](CNC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)[O-] ZINC000263104517 293529880 /nfs/dbraw/zinc/52/98/80/293529880.db2.gz OUEPNIGFHLDQEB-LBPRGKRZSA-N -1 0 319.317 -0.308 20 0 DBADRM CO[C@@H]1CC[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000188291704 293792606 /nfs/dbraw/zinc/79/26/06/293792606.db2.gz HFDJATGPPHLHSN-DTWKUNHWSA-N -1 0 304.306 -0.091 20 0 DBADRM NC(=O)[C@@H]1CCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000112623057 295109072 /nfs/dbraw/zinc/10/90/72/295109072.db2.gz XJXFUWLHDRNWCO-JTQLQIEISA-N -1 0 308.363 -0.042 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c(OC)c1 ZINC000090262972 295198641 /nfs/dbraw/zinc/19/86/41/295198641.db2.gz INKICBMSNKVJRI-QMMMGPOBSA-N -1 0 305.308 -0.572 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N2CCOC[C@@H]2C(=O)[O-])CC1 ZINC000262192098 295481434 /nfs/dbraw/zinc/48/14/34/295481434.db2.gz RDPPEXAXRWQKMU-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NCCCC(=O)[O-] ZINC000414607144 295516683 /nfs/dbraw/zinc/51/66/83/295516683.db2.gz GEMIMGOQPDUDLV-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)CC2(C(=O)[O-])CCC2)C1 ZINC000262555579 295538451 /nfs/dbraw/zinc/53/84/51/295538451.db2.gz UWLWGFLHNIRFJT-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CCN1S(C)(=O)=O ZINC000262301569 300168656 /nfs/dbraw/zinc/16/86/56/300168656.db2.gz NURXJSQOKYLCOC-LPEHRKFASA-N -1 0 320.367 -0.889 20 0 DBADRM C[C@](O)(CNC(=O)CSCC(=O)N1CCCCC1)C(=O)[O-] ZINC000262447730 300737625 /nfs/dbraw/zinc/73/76/25/300737625.db2.gz VMHQAEGEQGDWEW-ZDUSSCGKSA-N -1 0 318.395 -0.316 20 0 DBADRM C[C@]1(C2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)NC(=O)NC1=O ZINC000262347737 300791493 /nfs/dbraw/zinc/79/14/93/300791493.db2.gz ATMWGUSRQYHHLQ-ATEUNZGCSA-N -1 0 309.322 -0.456 20 0 DBADRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N1CCNC(=O)C1 ZINC000035650891 300964925 /nfs/dbraw/zinc/96/49/25/300964925.db2.gz XRLKJIZTPPSQJZ-UHFFFAOYSA-N -1 0 316.310 -0.047 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(N)=O)C2)cn1 ZINC000408478221 302919420 /nfs/dbraw/zinc/91/94/20/302919420.db2.gz IPUDMJRMMMRKOO-IUCAKERBSA-N -1 0 314.367 -0.483 20 0 DBADRM Cn1nc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c(=O)c2ccccc21 ZINC000362710191 303041812 /nfs/dbraw/zinc/04/18/12/303041812.db2.gz DLYAJSNRPIVXNF-LLVKDONJSA-N -1 0 317.301 -0.141 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000227866884 303049753 /nfs/dbraw/zinc/04/97/53/303049753.db2.gz ZMZMIGJCBPGNMY-ZETCQYMHSA-N -1 0 309.731 -0.452 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CCCC[C@H]1C(=O)[O-])c2=O ZINC000354171433 303061289 /nfs/dbraw/zinc/06/12/89/303061289.db2.gz IGGGLRNBLYVUPU-JTQLQIEISA-N -1 0 319.321 -0.404 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC000408483093 303069035 /nfs/dbraw/zinc/06/90/35/303069035.db2.gz WCMCUBXLFOMGOL-IUCAKERBSA-N -1 0 314.367 -0.483 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000362697572 303253065 /nfs/dbraw/zinc/25/30/65/303253065.db2.gz CJJGROMJAFKPJC-NSHDSACASA-N -1 0 308.290 -0.524 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])c1 ZINC000274948984 303347720 /nfs/dbraw/zinc/34/77/20/303347720.db2.gz HQYASOOPCDHDGR-SECBINFHSA-N -1 0 316.360 -0.066 20 0 DBADRM Nc1ncnc(N2Cc3n[nH]c(=O)n3C[C@H]2C(=O)[O-])c1Cl ZINC000263063206 303506172 /nfs/dbraw/zinc/50/61/72/303506172.db2.gz NGBOMRCGVVUUQK-BYPYZUCNSA-N -1 0 311.689 -0.930 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000570519287 332768210 /nfs/dbraw/zinc/76/82/10/332768210.db2.gz TWAOIIOFEZMNCS-PHDIDXHHSA-N -1 0 320.289 -0.212 20 0 DBADRM Cc1c(S(=O)(=O)N(C)C2(C(=O)[O-])CCOCC2)cnn1C ZINC000583908088 331459118 /nfs/dbraw/zinc/45/91/18/331459118.db2.gz GVHCCPYGXBKENJ-UHFFFAOYSA-N -1 0 317.367 -0.017 20 0 DBADRM Cc1ccncc1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000584175996 331854609 /nfs/dbraw/zinc/85/46/09/331854609.db2.gz SCDRTPOHDCENSV-HOGDKLEQSA-N -1 0 318.376 -0.404 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCc2c[nH]nc2C1)[C@H](C)C(=O)[O-] ZINC000584191403 331856185 /nfs/dbraw/zinc/85/61/85/331856185.db2.gz FOTDTNZGVISESZ-KOLCDFICSA-N -1 0 322.365 -0.048 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCc2c[nH]nc2C1)[C@@H](C)C(=O)[O-] ZINC000584191405 331856288 /nfs/dbraw/zinc/85/62/88/331856288.db2.gz FOTDTNZGVISESZ-ONGXEEELSA-N -1 0 322.365 -0.048 20 0 DBADRM Cc1nn(C)cc1-c1nn(C)c2ncn(CC(=O)[O-])c(=O)c12 ZINC000580096045 332938863 /nfs/dbraw/zinc/93/88/63/332938863.db2.gz QWRTUMXNPPSBOJ-UHFFFAOYSA-N -1 0 302.294 -0.076 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC000569366687 332064856 /nfs/dbraw/zinc/06/48/56/332064856.db2.gz GABZNLSCYNZGJH-YUMQZZPRSA-N -1 0 313.335 -0.178 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000569607405 332199405 /nfs/dbraw/zinc/19/94/05/332199405.db2.gz OXELGFVEBZDGBT-VIFPVBQESA-N -1 0 312.326 -0.470 20 0 DBADRM COC(=O)C1(CNC(=O)c2cnc(C(=O)[O-])cn2)CCOCC1 ZINC000566225298 332259419 /nfs/dbraw/zinc/25/94/19/332259419.db2.gz CGEHRSQMXOGXKE-UHFFFAOYSA-N -1 0 323.305 -0.126 20 0 DBADRM COC(=O)Cc1nnc([N-]S(=O)(=O)c2cscn2)[nH]1 ZINC000566229372 332263244 /nfs/dbraw/zinc/26/32/44/332263244.db2.gz QNJLSERFNJWODN-UHFFFAOYSA-N -1 0 303.325 -0.223 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC000566240598 332274390 /nfs/dbraw/zinc/27/43/90/332274390.db2.gz HXAATTDLUOXTDM-WEDXCCLWSA-N -1 0 303.340 -0.329 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)[C@H]1CCO[C@H](C)C1)C(=O)[O-] ZINC000577639773 332303473 /nfs/dbraw/zinc/30/34/73/332303473.db2.gz SVTNSWYYIYMLHV-VGMNWLOBSA-N -1 0 309.340 -0.510 20 0 DBADRM Cn1cccc1S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000583368929 332363578 /nfs/dbraw/zinc/36/35/78/332363578.db2.gz XOTXSKIBQBLBDM-SECBINFHSA-N -1 0 315.351 -0.764 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1=O ZINC000583433807 332405017 /nfs/dbraw/zinc/40/50/17/332405017.db2.gz MCNRRJXBOVXUMC-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([O-])[C@H](Cc1ccc(O)cc1)NS(=O)(=O)NC1CC1 ZINC000159544996 332656689 /nfs/dbraw/zinc/65/66/89/332656689.db2.gz YWBCSTIULASIST-NSHDSACASA-N -1 0 300.336 -0.026 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCOCC3(CCC3)C2)C1 ZINC000570077553 332709845 /nfs/dbraw/zinc/70/98/45/332709845.db2.gz APFGDENNWGAIPI-LLVKDONJSA-N -1 0 310.350 -0.051 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)C1 ZINC000570166454 332720256 /nfs/dbraw/zinc/72/02/56/332720256.db2.gz IQEHSVWYTDIETI-BXKDBHETSA-N -1 0 306.384 -0.020 20 0 DBADRM Cc1nc(S(=O)(=O)NCCc2nc(=O)o[n-]2)sc1C ZINC000570205557 332725308 /nfs/dbraw/zinc/72/53/08/332725308.db2.gz IRVBIGGZINBEQI-UHFFFAOYSA-N -1 0 304.353 -0.043 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000580316939 333109563 /nfs/dbraw/zinc/10/95/63/333109563.db2.gz HGGOAZPQUJDFQD-XCBNKYQSSA-N -1 0 304.324 -0.407 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)C1 ZINC000580327424 333192480 /nfs/dbraw/zinc/19/24/80/333192480.db2.gz KYTSMBXOUZLZTG-UWVGGRQHSA-N -1 0 306.384 -0.117 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCO1 ZINC000567797202 333252233 /nfs/dbraw/zinc/25/22/33/333252233.db2.gz OCMRMMZZGHQMPT-ZJUUUORDSA-N -1 0 308.356 -0.873 20 0 DBADRM COc1ccc(OC)c(S(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000388480857 333314182 /nfs/dbraw/zinc/31/41/82/333314182.db2.gz NZSINKCTDSYOPQ-UHFFFAOYSA-N -1 0 319.335 -0.229 20 0 DBADRM COCCS(=O)(=O)c1ccc(CN=c2nn[n-]n2C)cc1 ZINC000582158236 335135900 /nfs/dbraw/zinc/13/59/00/335135900.db2.gz PXMSOLONWPCHDF-UHFFFAOYSA-N -1 0 311.367 -0.336 20 0 DBADRM COC(C)(C)CS(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000584354374 336077249 /nfs/dbraw/zinc/07/72/49/336077249.db2.gz LKBCOAYDYWSKQB-JTQLQIEISA-N -1 0 319.383 -0.011 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)CSCC(=O)[O-])C2=O)cn1 ZINC000580364972 336260352 /nfs/dbraw/zinc/26/03/52/336260352.db2.gz GTXVCMIHXVZCCP-SECBINFHSA-N -1 0 312.351 -0.541 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)N1CCCC[C@@H]1C)C(=O)[O-] ZINC000379282091 336262495 /nfs/dbraw/zinc/26/24/95/336262495.db2.gz DOCDAUPDPNIQPW-DTWKUNHWSA-N -1 0 308.356 -0.289 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)[O-] ZINC000379295404 336263731 /nfs/dbraw/zinc/26/37/31/336263731.db2.gz MLODOFVMKPDVJG-RKDXNWHRSA-N -1 0 308.356 -0.431 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)cn1 ZINC000582582766 337109759 /nfs/dbraw/zinc/10/97/59/337109759.db2.gz KMZDLEGWAWCQMT-GXSJLCMTSA-N -1 0 317.367 -0.251 20 0 DBADRM COc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000582664417 337117741 /nfs/dbraw/zinc/11/77/41/337117741.db2.gz ALYDTXWOPKCFKU-SECBINFHSA-N -1 0 302.308 -0.436 20 0 DBADRM O=C(NC1CC1)c1n[nH]nc1NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000582712014 337123816 /nfs/dbraw/zinc/12/38/16/337123816.db2.gz NJFKTSQPORWWNT-SSDOTTSWSA-N -1 0 318.337 -0.354 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC000582728233 337126263 /nfs/dbraw/zinc/12/62/63/337126263.db2.gz YLMNFBSJRPUCOL-SECBINFHSA-N -1 0 314.367 -0.060 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)nn1 ZINC000583028750 337230845 /nfs/dbraw/zinc/23/08/45/337230845.db2.gz UHGUJQKADFOTLL-IUCAKERBSA-N -1 0 310.310 -0.366 20 0 DBADRM Cc1nnnn1-c1cc(NC(=O)N[C@@H](CO)C(=O)[O-])ccc1F ZINC000583062459 337234418 /nfs/dbraw/zinc/23/44/18/337234418.db2.gz BYTVBOMINYOJEP-VIFPVBQESA-N -1 0 324.272 -0.323 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCCn1cccn1 ZINC000583082454 337237412 /nfs/dbraw/zinc/23/74/12/337237412.db2.gz XZTSGZKSPPXPKE-JTQLQIEISA-N -1 0 302.356 -0.343 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCC(=O)N(C)C)C[C@@H]1C(=O)[O-] ZINC000583084293 337237662 /nfs/dbraw/zinc/23/76/62/337237662.db2.gz KFAHOFYRJJRJBG-ZJUUUORDSA-N -1 0 313.354 -0.850 20 0 DBADRM C[S@@](=O)CCCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC000583142478 337245001 /nfs/dbraw/zinc/24/50/01/337245001.db2.gz YTYGGCKUSOKKKU-GOSISDBHSA-N -1 0 306.365 -0.173 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)C3(C(=O)[O-])CCC3)C2=O)cn1 ZINC000583146377 337245946 /nfs/dbraw/zinc/24/59/46/337245946.db2.gz WXVHEUNDFVVFOW-JTQLQIEISA-N -1 0 306.322 -0.104 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cn1 ZINC000583147772 337246205 /nfs/dbraw/zinc/24/62/05/337246205.db2.gz RABMKGMKCIZAGN-OVWNDWIMSA-N -1 0 318.376 -0.404 20 0 DBADRM C[C@@H](CC(=O)[O-])N(CCO)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000583158860 337247868 /nfs/dbraw/zinc/24/78/68/337247868.db2.gz SUJOORKWOKGVTI-VHSXEESVSA-N -1 0 322.383 -0.617 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1 ZINC000583138702 337248491 /nfs/dbraw/zinc/24/84/91/337248491.db2.gz GFCDYRAHKKMHLQ-LLVKDONJSA-N -1 0 303.340 -0.185 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C1CC1 ZINC000397301185 337259802 /nfs/dbraw/zinc/25/98/02/337259802.db2.gz KLWFDRFDIUQTIC-JTQLQIEISA-N -1 0 303.340 -0.329 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)CSCC(=O)[O-])O1 ZINC000583752620 337329559 /nfs/dbraw/zinc/32/95/59/337329559.db2.gz TUNXLIWQMDAICW-BDAKNGLRSA-N -1 0 304.368 -0.444 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)o1 ZINC000020593385 337333304 /nfs/dbraw/zinc/33/33/04/337333304.db2.gz VCDWGMUCSDLFQN-LURJTMIESA-N -1 0 309.321 -0.557 20 0 DBADRM CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000035085368 337339401 /nfs/dbraw/zinc/33/94/01/337339401.db2.gz ADIBUPKAXZMGEY-UHFFFAOYSA-N -1 0 314.319 -0.632 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H](CC)C(=O)[O-])C1 ZINC000035410771 337343527 /nfs/dbraw/zinc/34/35/27/337343527.db2.gz GRBZGRXJGPVSLK-VHSXEESVSA-N -1 0 322.383 -0.041 20 0 DBADRM CCN(CCCNC(=O)N[C@@H](C(=O)[O-])C1CC1)S(C)(=O)=O ZINC000584462920 337344546 /nfs/dbraw/zinc/34/45/46/337344546.db2.gz FFABARXHYQUVLS-SNVBAGLBSA-N -1 0 321.399 -0.180 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)o1 ZINC000036161789 337351889 /nfs/dbraw/zinc/35/18/89/337351889.db2.gz WSTPSCPSCYHOKO-UHFFFAOYSA-N -1 0 309.321 -0.603 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000220085866 337353534 /nfs/dbraw/zinc/35/35/34/337353534.db2.gz BPVCXMQNUYKKFB-GWOFURMSSA-N -1 0 304.368 -0.041 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000584530257 337356724 /nfs/dbraw/zinc/35/67/24/337356724.db2.gz SOXRVVDITYONTB-VHSXEESVSA-N -1 0 322.383 -0.041 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)N1CCc2ccccc2C1 ZINC000036968768 337361466 /nfs/dbraw/zinc/36/14/66/337361466.db2.gz NATLBPSURHTVLW-LLVKDONJSA-N -1 0 300.336 -0.675 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000037270999 337362556 /nfs/dbraw/zinc/36/25/56/337362556.db2.gz PADBGOYTICUHJP-UHFFFAOYSA-N -1 0 304.324 -0.039 20 0 DBADRM CC(=O)Nc1ccc(C)c(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000037406720 337363488 /nfs/dbraw/zinc/36/34/88/337363488.db2.gz CUDXIFCBTCVANY-JTQLQIEISA-N -1 0 316.335 -0.323 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000037465352 337364147 /nfs/dbraw/zinc/36/41/47/337364147.db2.gz AJVXRMNORMYXBD-MRVPVSSYSA-N -1 0 308.356 -0.431 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])C2CC2)cn1C ZINC000037592602 337365615 /nfs/dbraw/zinc/36/56/15/337365615.db2.gz KFQIBUGTMBXHHY-UHFFFAOYSA-N -1 0 315.351 -0.378 20 0 DBADRM CN(CCC(=O)[O-])C(=O)CNS(=O)(=O)c1ccccc1 ZINC000037931533 337368894 /nfs/dbraw/zinc/36/88/94/337368894.db2.gz VZQYEDJXIMXNSS-UHFFFAOYSA-N -1 0 300.336 -0.102 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCc1ncccn1)C(=O)[O-] ZINC000584665905 337381017 /nfs/dbraw/zinc/38/10/17/337381017.db2.gz DDTDEYNOBNJVAJ-JTQLQIEISA-N -1 0 308.338 -0.044 20 0 DBADRM COC[C@@H](CCO)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000571880576 337580765 /nfs/dbraw/zinc/58/07/65/337580765.db2.gz GNXMKRIXMBTMHD-LLVKDONJSA-N -1 0 310.306 -0.163 20 0 DBADRM C[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C(=O)[O-] ZINC000572120785 337591626 /nfs/dbraw/zinc/59/16/26/337591626.db2.gz AOOYZIYLKANJIY-RKDXNWHRSA-N -1 0 311.338 -0.114 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])cn1 ZINC000572124763 337591722 /nfs/dbraw/zinc/59/17/22/337591722.db2.gz CXLMBXQLRKVTAF-LBPRGKRZSA-N -1 0 318.351 -0.158 20 0 DBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H](CO)C1)C2 ZINC000572234219 337599507 /nfs/dbraw/zinc/59/95/07/337599507.db2.gz JVUISGYYTCEMDL-BFQNTYOBSA-N -1 0 324.377 -0.069 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)N1CCCCCC1 ZINC000572348716 337613368 /nfs/dbraw/zinc/61/33/68/337613368.db2.gz WRPGFRWNWYUOEX-UHFFFAOYSA-N -1 0 307.372 -0.712 20 0 DBADRM CO[C@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2c(C)cnn2C)C1 ZINC000572400115 337632122 /nfs/dbraw/zinc/63/21/22/337632122.db2.gz QJHCUOYVGLXOKE-ZJUUUORDSA-N -1 0 317.367 -0.019 20 0 DBADRM CC[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)CCC(=O)OC ZINC000572481728 338209400 /nfs/dbraw/zinc/20/94/00/338209400.db2.gz BSJIJUHTPZHCDM-SECBINFHSA-N -1 0 310.372 -0.041 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-]c1ccn(CC(N)=O)n1)C1CC1 ZINC000566229467 341551301 /nfs/dbraw/zinc/55/13/01/341551301.db2.gz SJRJQUWLHYPVLJ-SECBINFHSA-N -1 0 302.356 -0.465 20 0 DBADRM C[S@@](=O)C1(CNC(=O)C(=O)NCCCC(=O)[O-])CCC1 ZINC000566243335 341551759 /nfs/dbraw/zinc/55/17/59/341551759.db2.gz TVGZXNOQUSBUDB-HXUWFJFHSA-N -1 0 304.368 -0.615 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])o1 ZINC000566311428 341553796 /nfs/dbraw/zinc/55/37/96/341553796.db2.gz CQTMKAANQYKTLG-NTCNTBNZSA-N -1 0 307.349 -0.206 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-]c1cn(C)nc1C(N)=O)C1CC1 ZINC000566561934 341561884 /nfs/dbraw/zinc/56/18/84/341561884.db2.gz XGTRIUNGMOIQMZ-VIFPVBQESA-N -1 0 302.356 -0.314 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)C3(C(=O)[O-])CC3)C2=O)n(C)n1 ZINC000566680907 341565116 /nfs/dbraw/zinc/56/51/16/341565116.db2.gz CMGGCKDDZBMBAC-SECBINFHSA-N -1 0 306.322 -0.185 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)CC1 ZINC000567167472 341583956 /nfs/dbraw/zinc/58/39/56/341583956.db2.gz WNOYPFRMJOUCKX-SECBINFHSA-N -1 0 303.340 -0.356 20 0 DBADRM C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000567235687 341590457 /nfs/dbraw/zinc/59/04/57/341590457.db2.gz UYTLNMVSCXPFAE-ZETCQYMHSA-N -1 0 304.299 -0.307 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cnc(C(=O)[O-])cn2)O1 ZINC000567384941 341600480 /nfs/dbraw/zinc/60/04/80/341600480.db2.gz WGIHPPYQBSAPIL-GZMMTYOYSA-N -1 0 322.321 -0.460 20 0 DBADRM CC[C@@H](C)C[C@H](NC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC000567504196 341611081 /nfs/dbraw/zinc/61/10/81/341611081.db2.gz FQSLZDGIXIOPTD-ZJUUUORDSA-N -1 0 321.337 -0.103 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2CCCOC2)C1 ZINC000567687594 341627616 /nfs/dbraw/zinc/62/76/16/341627616.db2.gz YWZORBYVOBIORG-ZYHUDNBSSA-N -1 0 307.368 -0.082 20 0 DBADRM Cc1ccncc1S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000567800599 341634100 /nfs/dbraw/zinc/63/41/00/341634100.db2.gz YDSYQTBGGYGMSJ-UHFFFAOYSA-N -1 0 300.336 -0.010 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000567881176 341638447 /nfs/dbraw/zinc/63/84/47/341638447.db2.gz UKBVKFPMSFSEOB-SNGHESPRSA-N -1 0 304.368 -0.665 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCOCC(F)F)C[C@@H]1C(=O)[O-] ZINC000567887283 341638817 /nfs/dbraw/zinc/63/88/17/341638817.db2.gz GUIVLFKIPCAAHK-BDAKNGLRSA-N -1 0 322.308 -0.047 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-] ZINC000568096224 341651145 /nfs/dbraw/zinc/65/11/45/341651145.db2.gz UHDRSTDRXSOUDO-ZCFIWIBFSA-N -1 0 323.352 -0.521 20 0 DBADRM CN(C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000568173596 341656477 /nfs/dbraw/zinc/65/64/77/341656477.db2.gz LHXNVUUOXHGINU-GHMZBOCLSA-N -1 0 302.352 -0.561 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)N2CCOCC2)CCOCC1 ZINC000165951083 341715219 /nfs/dbraw/zinc/71/52/19/341715219.db2.gz ZWGDDNIMXLTOIR-UHFFFAOYSA-N -1 0 308.356 -0.966 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000573266460 341723132 /nfs/dbraw/zinc/72/31/32/341723132.db2.gz AFBIICGICRTWMU-WDEREUQCSA-N -1 0 308.400 -0.024 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC000328437782 341730621 /nfs/dbraw/zinc/73/06/21/341730621.db2.gz COIAEYRQBOKGJZ-YTWAJWBKSA-N -1 0 322.383 -0.486 20 0 DBADRM CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000573689359 341736137 /nfs/dbraw/zinc/73/61/37/341736137.db2.gz QFQRVCULHZLCIJ-LPEHRKFASA-N -1 0 306.384 -0.022 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000168820627 341752423 /nfs/dbraw/zinc/75/24/23/341752423.db2.gz PJVQTLRRTNSXAC-VIFPVBQESA-N -1 0 302.308 -0.234 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)NCCCC(=O)[O-])cn1C ZINC000574322687 341755335 /nfs/dbraw/zinc/75/53/35/341755335.db2.gz SBDMFOZALUSXSR-UHFFFAOYSA-N -1 0 311.294 -0.269 20 0 DBADRM Cn1nccc1S(=O)(=O)N1CCc2onc(C(=O)[O-])c2C1 ZINC000574484321 341759932 /nfs/dbraw/zinc/75/99/32/341759932.db2.gz RTXGCRDQLJAFGT-UHFFFAOYSA-N -1 0 312.307 -0.147 20 0 DBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2cn(C)cn2)C1 ZINC000574635928 341764419 /nfs/dbraw/zinc/76/44/19/341764419.db2.gz XAKNCIQVRYZAFT-RKDXNWHRSA-N -1 0 303.340 -0.327 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000575181045 341783921 /nfs/dbraw/zinc/78/39/21/341783921.db2.gz MQXKCZLMLZVOJV-VXGBXAGGSA-N -1 0 310.350 -0.029 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000576240662 341835696 /nfs/dbraw/zinc/83/56/96/341835696.db2.gz DYRICXPDZBNVCE-GXSJLCMTSA-N -1 0 317.367 -0.251 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CC(C(C)(C)O)C2)C[C@H]1C(=O)[O-] ZINC000576346283 341841608 /nfs/dbraw/zinc/84/16/08/341841608.db2.gz IOJJBRWQNWFWNQ-GXSJLCMTSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1C[C@H](S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])CCO1 ZINC000576469395 341848109 /nfs/dbraw/zinc/84/81/09/341848109.db2.gz PEGVNELFVDRKIY-CKYFFXLPSA-N -1 0 309.384 -0.053 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)NCCCC(=O)[O-])C1 ZINC000576515866 341850197 /nfs/dbraw/zinc/85/01/97/341850197.db2.gz ZDMMQUSPEGVNBL-VIFPVBQESA-N -1 0 307.372 -0.568 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1C[C@H](C)O[C@H](C)[C@H]1C(=O)[O-] ZINC000576823478 341864884 /nfs/dbraw/zinc/86/48/84/341864884.db2.gz KTSWGXHTIZUKPY-RGOKHQFPSA-N -1 0 323.367 -0.312 20 0 DBADRM Nc1ccccc1CC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000576976916 341873081 /nfs/dbraw/zinc/87/30/81/341873081.db2.gz YRBCUICYLHXRED-LLVKDONJSA-N -1 0 312.347 -0.479 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000577062954 341882632 /nfs/dbraw/zinc/88/26/32/341882632.db2.gz UNECIZSURRTVMI-WDEREUQCSA-N -1 0 316.354 -0.665 20 0 DBADRM C/C=C\C[C@H](NC(=O)CNS(=O)(=O)CCCOC)C(=O)[O-] ZINC000577259120 341900735 /nfs/dbraw/zinc/90/07/35/341900735.db2.gz FQYFVZQXYKPAFV-XOULXFPDSA-N -1 0 322.383 -0.522 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000577572113 341918926 /nfs/dbraw/zinc/91/89/26/341918926.db2.gz YRXHLLBZKAGEHN-JBLDHEPKSA-N -1 0 307.368 -0.226 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCCCC(=O)[O-])C1 ZINC000577847262 341942880 /nfs/dbraw/zinc/94/28/80/341942880.db2.gz FQWUBFSBUVNSTE-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000263578066 521671560 /nfs/dbraw/zinc/67/15/60/521671560.db2.gz SFQBGJBZCQIDJE-LLVKDONJSA-N -1 0 300.336 -0.132 20 0 DBADRM Cc1cc(=NC(=O)N=c2ccn(CC(=O)N(C)C)[nH]2)[n-]nc1C ZINC000446139878 534026206 /nfs/dbraw/zinc/02/62/06/534026206.db2.gz PNHYRNWRRUMYRM-UHFFFAOYSA-N -1 0 317.353 -0.134 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1 ZINC000490672140 534039517 /nfs/dbraw/zinc/03/95/17/534039517.db2.gz YPRJJMNGKHMCGE-UHFFFAOYSA-N -1 0 315.351 -0.165 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000495905426 534071325 /nfs/dbraw/zinc/07/13/25/534071325.db2.gz NCHAKGFBNGUGRW-UHFFFAOYSA-N -1 0 317.323 -0.359 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1C ZINC000274880460 536143108 /nfs/dbraw/zinc/14/31/08/536143108.db2.gz CPQVQBPOAJFWMC-VIFPVBQESA-N -1 0 305.356 -0.366 20 0 DBADRM Cn1nnc(CNS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC000447151024 534333985 /nfs/dbraw/zinc/33/39/85/534333985.db2.gz QSDZPPCVOBHNJZ-UHFFFAOYSA-N -1 0 315.286 -0.474 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000262380184 518201443 /nfs/dbraw/zinc/20/14/43/518201443.db2.gz IHCNVTKLHMSMTN-NXEZZACHSA-N -1 0 304.368 -0.457 20 0 DBADRM CC(C)(O)[C@H]1CCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000123613823 519368923 /nfs/dbraw/zinc/36/89/23/519368923.db2.gz XJWSOFDMMAIKEY-SNVBAGLBSA-N -1 0 318.333 -0.013 20 0 DBADRM CC(C)C[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000037418324 519397586 /nfs/dbraw/zinc/39/75/86/519397586.db2.gz GXMZKZOUCFFMIT-VIFPVBQESA-N -1 0 317.367 -0.098 20 0 DBADRM CC(C)Cc1nc(=NCCOCCS(N)(=O)=O)s[n-]1 ZINC000346113976 519453074 /nfs/dbraw/zinc/45/30/74/519453074.db2.gz FJQJPNBDKLWLGF-UHFFFAOYSA-N -1 0 308.429 -0.125 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000262422706 519651837 /nfs/dbraw/zinc/65/18/37/519651837.db2.gz QMZLYDSNCJAAGC-CYBMUJFWSA-N -1 0 307.306 -0.819 20 0 DBADRM CC(=O)NCCN(C(=O)Cn1ccc(C)cc1=O)[C@H](C)C(=O)[O-] ZINC000263403491 519661602 /nfs/dbraw/zinc/66/16/02/519661602.db2.gz HDBXUPNIIXXLFH-LLVKDONJSA-N -1 0 323.349 -0.405 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N(CC(=O)[O-])c1ccccc1)C(N)=O ZINC000337766172 519682591 /nfs/dbraw/zinc/68/25/91/519682591.db2.gz ZPECDZNGMNINPR-NSHDSACASA-N -1 0 307.306 -0.516 20 0 DBADRM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000349084408 519798477 /nfs/dbraw/zinc/79/84/77/519798477.db2.gz PAURUVXHTGNWRB-ABAIWWIYSA-N -1 0 323.349 -0.212 20 0 DBADRM CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](COC)C(=O)[O-] ZINC000263154348 519869942 /nfs/dbraw/zinc/86/99/42/519869942.db2.gz ZJFHSQXPZMADQQ-DTWKUNHWSA-N -1 0 304.368 -0.096 20 0 DBADRM CCCC(=O)NCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000262220938 519871019 /nfs/dbraw/zinc/87/10/19/519871019.db2.gz LFSBMJZBJDHFOZ-SECBINFHSA-N -1 0 301.343 -0.660 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000346194130 520239973 /nfs/dbraw/zinc/23/99/73/520239973.db2.gz YPUBLHKWUKQOLK-UHFFFAOYSA-N -1 0 321.341 -0.584 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@]12CCCO2 ZINC000274253512 520363422 /nfs/dbraw/zinc/36/34/22/520363422.db2.gz UADDDWIRAMTUNN-HFAKWTLXSA-N -1 0 323.349 -0.058 20 0 DBADRM CCN(CC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)ccc1OC ZINC000261946839 520377829 /nfs/dbraw/zinc/37/78/29/520377829.db2.gz ORWIIHGKFXJPIC-UHFFFAOYSA-N -1 0 316.335 -0.111 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cccc(-n2ccnn2)c1 ZINC000447635540 534501204 /nfs/dbraw/zinc/50/12/04/534501204.db2.gz BIQYMMKSLDJSNW-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cccc(-n2cnnn2)c1 ZINC000447633648 534501101 /nfs/dbraw/zinc/50/11/01/534501101.db2.gz DDUAGWFRLKKSSD-UHFFFAOYSA-N -1 0 301.266 -0.689 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc2c(c1)OCC(=O)N2 ZINC000447637284 534501805 /nfs/dbraw/zinc/50/18/05/534501805.db2.gz RTXKCIMVZOZHMG-UHFFFAOYSA-N -1 0 304.262 -0.334 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc2c(c1)NC(=O)CO2 ZINC000447636007 534501835 /nfs/dbraw/zinc/50/18/35/534501835.db2.gz IDLIQBXPVVHCSO-UHFFFAOYSA-N -1 0 304.262 -0.334 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262893885 521164492 /nfs/dbraw/zinc/16/44/92/521164492.db2.gz APUKIBDUPKCVTD-DTWKUNHWSA-N -1 0 302.352 -0.390 20 0 DBADRM CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1Cc1n[nH]c(=O)[n-]1 ZINC000338321057 521314541 /nfs/dbraw/zinc/31/45/41/521314541.db2.gz GENFWCCUSFKAOX-RKDXNWHRSA-N -1 0 312.326 -0.031 20 0 DBADRM CCNC(=O)COc1ccc(CNC(=O)C(=O)[O-])cc1OC ZINC000360394656 521738450 /nfs/dbraw/zinc/73/84/50/521738450.db2.gz JFKMMJZMYCJWFS-UHFFFAOYSA-N -1 0 310.306 -0.089 20 0 DBADRM COCCS(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000042808140 521765451 /nfs/dbraw/zinc/76/54/51/521765451.db2.gz CTJYIWFSJPDRIT-NSHDSACASA-N -1 0 303.336 -0.046 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2nc(OC)n[nH]2)cn1C ZINC000158965275 521791180 /nfs/dbraw/zinc/79/11/80/521791180.db2.gz RHMSWILFJRYMJN-UHFFFAOYSA-N -1 0 314.327 -0.688 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1 ZINC000262772870 521799595 /nfs/dbraw/zinc/79/95/95/521799595.db2.gz MOFPYEUFVSZHIZ-SNVBAGLBSA-N -1 0 307.306 -0.243 20 0 DBADRM CC[C@H](C)[C@@H](O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000155746207 521875816 /nfs/dbraw/zinc/87/58/16/521875816.db2.gz FZXNXJYDEFNHQK-XVKPBYJWSA-N -1 0 306.322 -0.252 20 0 DBADRM COCC[C@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000343924040 521928527 /nfs/dbraw/zinc/92/85/27/521928527.db2.gz KDXIUHKFAGOIFW-MRVPVSSYSA-N -1 0 322.321 -0.128 20 0 DBADRM COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000090262856 521991647 /nfs/dbraw/zinc/99/16/47/521991647.db2.gz HRZPRSUHXXNUHM-VIFPVBQESA-N -1 0 317.319 -0.495 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000037414794 522155521 /nfs/dbraw/zinc/15/55/21/522155521.db2.gz ARPVYJRFEDZGIN-VIFPVBQESA-N -1 0 303.292 -0.803 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)o1 ZINC000262876349 522276575 /nfs/dbraw/zinc/27/65/75/522276575.db2.gz YIRYIRJJFAPGCL-LLVKDONJSA-N -1 0 320.298 -0.174 20 0 DBADRM CC[C@@H](C)[C@@H](O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000155746096 522324111 /nfs/dbraw/zinc/32/41/11/522324111.db2.gz FZXNXJYDEFNHQK-XCBNKYQSSA-N -1 0 306.322 -0.252 20 0 DBADRM CC[C@@H](C)[C@H](O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000155745877 522393150 /nfs/dbraw/zinc/39/31/50/522393150.db2.gz FZXNXJYDEFNHQK-GMSGAONNSA-N -1 0 306.322 -0.252 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC(F)(F)CO ZINC000231780780 522396319 /nfs/dbraw/zinc/39/63/19/522396319.db2.gz PHPGLZARUZQNQB-UHFFFAOYSA-N -1 0 316.307 -0.164 20 0 DBADRM COC[C@@](C)(NC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC000262040019 522527108 /nfs/dbraw/zinc/52/71/08/522527108.db2.gz CNLOQWYNYHOMSR-LLVKDONJSA-N -1 0 305.308 -0.097 20 0 DBADRM COC[C@@](C)(NC(=O)c1ccc(-n2cncn2)nc1)C(=O)[O-] ZINC000262288693 522527499 /nfs/dbraw/zinc/52/74/99/522527499.db2.gz VSFZJOIQXQXXIC-CYBMUJFWSA-N -1 0 305.294 -0.118 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000037932378 522687394 /nfs/dbraw/zinc/68/73/94/522687394.db2.gz HZVLTNOYGNCFDV-UHFFFAOYSA-N -1 0 322.364 -0.571 20 0 DBADRM COCC(=O)N[C@@H](C(=O)N=c1nc(COC)[n-]s1)C(C)C ZINC000344152876 522768135 /nfs/dbraw/zinc/76/81/35/522768135.db2.gz XEJHCMOMYQDUOK-SNVBAGLBSA-N -1 0 316.383 -0.168 20 0 DBADRM COC[C@H](O)CCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000345931523 522778608 /nfs/dbraw/zinc/77/86/08/522778608.db2.gz FNAABXROFBUMDR-MRVPVSSYSA-N -1 0 322.321 -0.128 20 0 DBADRM COC(=O)CCCCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000338394773 522984991 /nfs/dbraw/zinc/98/49/91/522984991.db2.gz FGBLMORZDYWVLL-UHFFFAOYSA-N -1 0 304.328 -0.120 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263154946 523061688 /nfs/dbraw/zinc/06/16/88/523061688.db2.gz PVKCUPITWWXKDI-VHSXEESVSA-N -1 0 322.383 -0.089 20 0 DBADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)Cn1cnnn1 ZINC000262448824 523274263 /nfs/dbraw/zinc/27/42/63/523274263.db2.gz UKCARJUPSQTUGW-UHFFFAOYSA-N -1 0 305.294 -0.205 20 0 DBADRM COC(=O)C[C@@H]1COCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000366210874 523305871 /nfs/dbraw/zinc/30/58/71/523305871.db2.gz DGWRWPKQEQLUKN-SSDOTTSWSA-N -1 0 316.339 -0.607 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000230095378 523339815 /nfs/dbraw/zinc/33/98/15/523339815.db2.gz BBCKWYVPOGJZJP-LURJTMIESA-N -1 0 308.337 -0.254 20 0 DBADRM COCCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267266765 523375702 /nfs/dbraw/zinc/37/57/02/523375702.db2.gz LPNZDZTWDFQTAI-UHFFFAOYSA-N -1 0 314.323 -0.249 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N(C)C(C)(C)C(=O)[O-] ZINC000262059660 523430029 /nfs/dbraw/zinc/43/00/29/523430029.db2.gz BMDOPHVDBFNRLF-UHFFFAOYSA-N -1 0 310.372 -0.736 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)C(C)(C)NS(C)(=O)=O)s[n-]1 ZINC000338926928 523451857 /nfs/dbraw/zinc/45/18/57/523451857.db2.gz UMPZSHRPIIGNID-LURJTMIESA-N -1 0 322.412 -0.066 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)[C@@H](C)NS(C)(=O)=O)s[n-]1 ZINC000338927037 523455017 /nfs/dbraw/zinc/45/50/17/523455017.db2.gz VMRXNMLPVBIKQS-RITPCOANSA-N -1 0 308.385 -0.456 20 0 DBADRM CO[C@@H](C)c1nc(=NCCNS(=O)(=O)NC(C)C)s[n-]1 ZINC000337934611 523458916 /nfs/dbraw/zinc/45/89/16/523458916.db2.gz FSNGDQXWLRPGAZ-QMMMGPOBSA-N -1 0 323.444 -0.088 20 0 DBADRM CC[C@](C)(NC(=O)CNS(=O)(=O)CCOC(C)C)C(=O)[O-] ZINC000262369284 523478761 /nfs/dbraw/zinc/47/87/61/523478761.db2.gz AODSVHAGBIULEH-LBPRGKRZSA-N -1 0 324.399 -0.300 20 0 DBADRM CC[C@@H]1OCC[C@H]1NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000333655491 523601228 /nfs/dbraw/zinc/60/12/28/523601228.db2.gz ZVYUTFWTUWBBNW-KXUCPTDWSA-N -1 0 320.367 -0.553 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000345304263 523649690 /nfs/dbraw/zinc/64/96/90/523649690.db2.gz QYFFVHNOCTWQNX-JTQLQIEISA-N -1 0 323.280 -0.019 20 0 DBADRM COc1ccc(C(=O)NCC(=O)NC(C)(C)c2nnn[n-]2)cc1 ZINC000347685698 523686704 /nfs/dbraw/zinc/68/67/04/523686704.db2.gz HSQFDAONHAWEBO-UHFFFAOYSA-N -1 0 318.337 -0.010 20 0 DBADRM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)C(=O)c2c(C)nn(C)c2C)C1 ZINC000347437039 524017128 /nfs/dbraw/zinc/01/71/28/524017128.db2.gz XOPSMCLDKOFPBL-VHSXEESVSA-N -1 0 309.322 -0.080 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)CC[C@@H]2CCOC2)CCOC1 ZINC000338928276 524017200 /nfs/dbraw/zinc/01/72/00/524017200.db2.gz FUSZSMPZTZYQRR-JQWIXIFHSA-N -1 0 307.368 -0.336 20 0 DBADRM CNC(=O)C1CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)C1 ZINC000344933584 524052021 /nfs/dbraw/zinc/05/20/21/524052021.db2.gz GYHZOABTYVDDOX-UHFFFAOYSA-N -1 0 317.305 -0.438 20 0 DBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1C ZINC000348907028 524076504 /nfs/dbraw/zinc/07/65/04/524076504.db2.gz JSCZHKRWFQRPIA-JTQLQIEISA-N -1 0 316.383 -0.142 20 0 DBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)c2c[nH]nc2C)cc1C ZINC000348864264 524076539 /nfs/dbraw/zinc/07/65/39/524076539.db2.gz CGGFFOZGXCVOHR-UHFFFAOYSA-N -1 0 312.355 -0.230 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(C(=O)[O-])o1 ZINC000347357803 524082267 /nfs/dbraw/zinc/08/22/67/524082267.db2.gz DWDHYLPUVBHCQA-QMMMGPOBSA-N -1 0 323.305 -0.555 20 0 DBADRM C[C@H](CN(C(=O)Cn1ccc(=O)n(C)c1=O)C1CC1)C(=O)[O-] ZINC000262128346 524274951 /nfs/dbraw/zinc/27/49/51/524274951.db2.gz HDYCQIXOGKFCGD-SECBINFHSA-N -1 0 309.322 -0.741 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)c1cn(CC(=O)N(C)C)nn1)C1CC1 ZINC000262659250 524290816 /nfs/dbraw/zinc/29/08/16/524290816.db2.gz TYUUWQLUYWVLHC-QMMMGPOBSA-N -1 0 309.326 -0.556 20 0 DBADRM COc1ccccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000040396385 524700855 /nfs/dbraw/zinc/70/08/55/524700855.db2.gz BTOOQHDSOQEVSC-BDAKNGLRSA-N -1 0 301.320 -0.096 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@@H]1C(=O)[O-] ZINC000337030648 524801701 /nfs/dbraw/zinc/80/17/01/524801701.db2.gz FTZNRIBMXJFXSF-ZJUUUORDSA-N -1 0 304.306 -0.325 20 0 DBADRM C[C@H](NC(=O)CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)C(=O)N(C)C ZINC000344132579 524955151 /nfs/dbraw/zinc/95/51/51/524955151.db2.gz YWHATRVTBUAXDT-VHSXEESVSA-N -1 0 324.385 -0.717 20 0 DBADRM C[C@](O)(CNC(=O)CNC(=O)COc1ccccc1)C(=O)[O-] ZINC000262566046 525171354 /nfs/dbraw/zinc/17/13/54/525171354.db2.gz XUZTZUIZDSZDKG-AWEZNQCLSA-N -1 0 310.306 -0.867 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000111476619 525174556 /nfs/dbraw/zinc/17/45/56/525174556.db2.gz KRTXVCHIRWLQOH-MNOVXSKESA-N -1 0 318.395 -0.019 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000366284664 525190242 /nfs/dbraw/zinc/19/02/42/525190242.db2.gz QXIJRIXCNQQWSD-ATZCPNFKSA-N -1 0 304.368 -0.616 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCCC(N)=O ZINC000266727365 525222428 /nfs/dbraw/zinc/22/24/28/525222428.db2.gz TZKNNYNQPLMTHD-UHFFFAOYSA-N -1 0 303.315 -0.198 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC2(O)CCC2)C1 ZINC000331926595 525364583 /nfs/dbraw/zinc/36/45/83/525364583.db2.gz VPZBPYKFMZAPNL-MNOVXSKESA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000262245565 525586240 /nfs/dbraw/zinc/58/62/40/525586240.db2.gz RAIBPJOHRVQYMP-MRVPVSSYSA-N -1 0 300.336 -0.061 20 0 DBADRM C[C@@](O)(CNC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000262346463 525767370 /nfs/dbraw/zinc/76/73/70/525767370.db2.gz DKZSQNZEYDPCEW-CQSZACIVSA-N -1 0 306.274 -0.766 20 0 DBADRM C[C@@H](O)C[C@@H](C)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000153863685 525811999 /nfs/dbraw/zinc/81/19/99/525811999.db2.gz ZGFGKNHYOJJPQG-HTQZYQBOSA-N -1 0 306.322 -0.252 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC000274964154 534917535 /nfs/dbraw/zinc/91/75/35/534917535.db2.gz VIDKTCYBXQVJJN-VIFPVBQESA-N -1 0 305.356 -0.347 20 0 DBADRM Cc1cnn(CC(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000347377754 526256618 /nfs/dbraw/zinc/25/66/18/526256618.db2.gz SZQBBNFBLYHVBE-GFCCVEGCSA-N -1 0 322.365 -0.027 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)C1 ZINC000331457069 526271091 /nfs/dbraw/zinc/27/10/91/526271091.db2.gz GJWLIKORMPVPLV-BMIGLBTASA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CN1Cc2ccccc2C1=O ZINC000262439137 526287419 /nfs/dbraw/zinc/28/74/19/526287419.db2.gz FYHVKISGAAWAEY-LBPRGKRZSA-N -1 0 304.302 -0.046 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CC1CCC1 ZINC000333607373 526292399 /nfs/dbraw/zinc/29/23/99/526292399.db2.gz RIQZMXQXDGSEAR-QMMMGPOBSA-N -1 0 316.339 -0.618 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2cccc(-n3cnnn3)c2)CCOC1 ZINC000262159771 526296202 /nfs/dbraw/zinc/29/62/02/526296202.db2.gz VAXISIROXXDGHE-CYBMUJFWSA-N -1 0 303.278 -0.364 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1ccccc1 ZINC000262851311 526330903 /nfs/dbraw/zinc/33/09/03/526330903.db2.gz HUKVZBWJNHLGHL-RYUDHWBXSA-N -1 0 301.306 0.000 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@H]2CCCCO2)CCS1(=O)=O ZINC000333349911 526331875 /nfs/dbraw/zinc/33/18/75/526331875.db2.gz AYOAGJAPTKOWHP-NXEZZACHSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)CC2CCC2)CCS1(=O)=O ZINC000333617873 526332180 /nfs/dbraw/zinc/33/21/80/526332180.db2.gz SXYOEJXZGMACLY-SECBINFHSA-N -1 0 311.381 -0.700 20 0 DBADRM O=C([O-])[C@]1(NC(=O)CNC(=O)c2cccc(F)c2)CCOC1 ZINC000262381007 526338211 /nfs/dbraw/zinc/33/82/11/526338211.db2.gz YSJCLMYRXURGGM-AWEZNQCLSA-N -1 0 310.281 -0.085 20 0 DBADRM O=C(CN1CCC(c2n[nH]c(=O)[n-]2)CC1)NC(=O)NC1CC1 ZINC000343741127 526729400 /nfs/dbraw/zinc/72/94/00/526729400.db2.gz HANHSRXRHYRKPH-UHFFFAOYSA-N -1 0 308.342 -0.322 20 0 DBADRM Cc1oc(C(=O)N[C@@H](C(=O)[O-])C2CC2)cc1S(N)(=O)=O ZINC000262220613 526759369 /nfs/dbraw/zinc/75/93/69/526759369.db2.gz ZVDUXHKSHBMPMR-SECBINFHSA-N -1 0 302.308 -0.172 20 0 DBADRM O=C(CNC(=O)c1ccc(F)c(F)c1)NCc1n[nH]c(=O)[n-]1 ZINC000347718600 526855889 /nfs/dbraw/zinc/85/58/89/526855889.db2.gz AUXLRXFPGOLMHX-UHFFFAOYSA-N -1 0 311.248 -0.165 20 0 DBADRM NC(=O)COCC[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000156030873 526890777 /nfs/dbraw/zinc/89/07/77/526890777.db2.gz DXPUGLMWHPPUHI-UHFFFAOYSA-N -1 0 312.269 -0.116 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)NC2(c3nnn[n-]3)CCCC2)C1 ZINC000346338744 526916444 /nfs/dbraw/zinc/91/64/44/526916444.db2.gz BLGKOUHVQXMDAC-SECBINFHSA-N -1 0 307.358 -0.124 20 0 DBADRM CC(=O)Nc1ccc(CNC(=O)c2cnc([O-])n(C)c2=O)cn1 ZINC000447622063 526983486 /nfs/dbraw/zinc/98/34/86/526983486.db2.gz MVLYOUUBWFTZGO-UHFFFAOYSA-N -1 0 317.305 -0.231 20 0 DBADRM O=C(CS(=O)(=O)C1CCCC1)NCCCc1n[nH]c(=O)[n-]1 ZINC000343576790 527004896 /nfs/dbraw/zinc/00/48/96/527004896.db2.gz WBCXCTRTYDBXOR-UHFFFAOYSA-N -1 0 316.383 -0.084 20 0 DBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@@H](C(=O)[O-])C1CC1 ZINC000054502989 527031924 /nfs/dbraw/zinc/03/19/24/527031924.db2.gz GRXMYLSIGOKOMF-WCBMZHEXSA-N -1 0 307.393 -0.114 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NCCCn1ccnn1)C(=O)[O-] ZINC000424508513 527033766 /nfs/dbraw/zinc/03/37/66/527033766.db2.gz VVBYNEPADYMHRG-UHFFFAOYSA-N -1 0 311.342 -0.599 20 0 DBADRM NC(=O)c1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)nc1 ZINC000346386077 527039554 /nfs/dbraw/zinc/03/95/54/527039554.db2.gz XDVHHPBUQGPIKO-UHFFFAOYSA-N -1 0 301.310 -0.107 20 0 DBADRM Cn1cc(/C=C/C(=O)NCC(C)(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000269055449 527143913 /nfs/dbraw/zinc/14/39/13/527143913.db2.gz XAVDNMSZCIZKHM-AATRIKPKSA-N -1 0 309.322 -0.676 20 0 DBADRM O=C(Cc1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1)NCCO ZINC000346748949 527237435 /nfs/dbraw/zinc/23/74/35/527237435.db2.gz CODVNXGHRYNBRN-UHFFFAOYSA-N -1 0 324.362 -0.139 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000336847305 527291120 /nfs/dbraw/zinc/29/11/20/527291120.db2.gz VBNVAVMODCIGLC-UHFFFAOYSA-N -1 0 317.367 -0.097 20 0 DBADRM Cn1nc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c(=O)c2ccccc21 ZINC000345900336 527546496 /nfs/dbraw/zinc/54/64/96/527546496.db2.gz GYOMICODYRTJBH-HNNXBMFYSA-N -1 0 317.301 -0.093 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)NCCc2nc(=O)o[n-]2)nn1 ZINC000447633644 527567486 /nfs/dbraw/zinc/56/74/86/527567486.db2.gz DBBJXFLNCXFIHO-UHFFFAOYSA-N -1 0 322.325 -0.458 20 0 DBADRM O=C([O-])CCNC(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000262985465 527591506 /nfs/dbraw/zinc/59/15/06/527591506.db2.gz LHFDMRKTFDOZRE-UHFFFAOYSA-N -1 0 315.351 -0.261 20 0 DBADRM O=C([O-])CN(C(=O)CS[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000037588651 527603750 /nfs/dbraw/zinc/60/37/50/527603750.db2.gz JDRGVAQNCRAWMT-SECBINFHSA-N -1 0 307.393 -0.018 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000262213136 527611746 /nfs/dbraw/zinc/61/17/46/527611746.db2.gz KDRYDOYDDOTLMF-UHFFFAOYSA-N -1 0 323.324 -0.329 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424502228 527707715 /nfs/dbraw/zinc/70/77/15/527707715.db2.gz NLFWOAKSJJRTBK-UHFFFAOYSA-N -1 0 301.343 -0.802 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc(C(N)=O)c(F)c2)c1[O-] ZINC000445957829 527891906 /nfs/dbraw/zinc/89/19/06/527891906.db2.gz AHQSNOBMHXTORN-SECBINFHSA-N -1 0 309.253 -0.088 20 0 DBADRM CCN(CC)S(=O)(=O)CCNC(=O)NCCCC(=O)[O-] ZINC000414633790 528207174 /nfs/dbraw/zinc/20/71/74/528207174.db2.gz VOFMEGAATNNFFX-UHFFFAOYSA-N -1 0 309.388 -0.178 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCc1cccnn1)C(=O)[O-] ZINC000424493440 528520745 /nfs/dbraw/zinc/52/07/45/528520745.db2.gz CPFDYTMTEPRSRS-SNVBAGLBSA-N -1 0 308.338 -0.044 20 0 DBADRM CCOC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CCOC)C(C)C ZINC000491476141 529098595 /nfs/dbraw/zinc/09/85/95/529098595.db2.gz FYEHGZBYTBGUCZ-VIFPVBQESA-N -1 0 310.372 -0.151 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000274904489 534920277 /nfs/dbraw/zinc/92/02/77/534920277.db2.gz IYDQQFRMFVUJQJ-MRVPVSSYSA-N -1 0 318.355 -0.854 20 0 DBADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)N1CCCC1=O ZINC000408384217 535139584 /nfs/dbraw/zinc/13/95/84/535139584.db2.gz ISINGVJNSGTDFP-PWSUYJOCSA-N -1 0 318.395 -0.132 20 0 DBADRM CCOc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cn1 ZINC000274897393 535399158 /nfs/dbraw/zinc/39/91/58/535399158.db2.gz HJXVJJDZSFPNQY-SECBINFHSA-N -1 0 304.324 -0.406 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000408073913 536065691 /nfs/dbraw/zinc/06/56/91/536065691.db2.gz YDUAVBNVUKVKIA-MRVPVSSYSA-N -1 0 317.371 -0.892 20 0 DBADRM CC[C@H](C)NC(=O)[C@H](C)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000275007330 536165317 /nfs/dbraw/zinc/16/53/17/536165317.db2.gz WCIKZIGSOWEADT-BQBZGAKWSA-N -1 0 301.372 -0.391 20 0 DBADRM CN1C(=O)N(CC(=O)[N-]OCC(N)=O)C(=O)C12CCCCC2 ZINC000376802945 536321438 /nfs/dbraw/zinc/32/14/38/536321438.db2.gz DEHFWXTWLMEICB-UHFFFAOYSA-N -1 0 312.326 -0.884 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCCCNC(=O)[O-] ZINC000828579792 603648518 /nfs/dbraw/zinc/64/85/18/603648518.db2.gz QDCGUNMHVKFBLT-SECBINFHSA-N -1 0 322.387 -0.633 20 0 DBADRM O=C(Cn1cnnc1-c1nnn[n-]1)NC(=O)NC1CCCCC1 ZINC000737989481 598877493 /nfs/dbraw/zinc/87/74/93/598877493.db2.gz ZEMIIMZGIXKVIL-UHFFFAOYSA-N -1 0 319.329 -0.383 20 0 DBADRM O=C(Cn1cnnc1-c1nnn[n-]1)NC(=O)NC1CCCC1 ZINC000737988118 598877796 /nfs/dbraw/zinc/87/77/96/598877796.db2.gz GNENZGHATUNJTL-UHFFFAOYSA-N -1 0 305.302 -0.773 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2nonc2C)c1 ZINC000736938882 598891847 /nfs/dbraw/zinc/89/18/47/598891847.db2.gz CSXMCAXGOJTJPB-UHFFFAOYSA-N -1 0 317.265 -0.445 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CC(C)(C)NC(=O)[O-] ZINC000828579180 603584986 /nfs/dbraw/zinc/58/49/86/603584986.db2.gz IOHGHLKBTHCNJN-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM COC(=O)N1CCC[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000831204287 601258729 /nfs/dbraw/zinc/25/87/29/601258729.db2.gz QRJTZNLNICZVJG-SECBINFHSA-N -1 0 323.371 -0.542 20 0 DBADRM CN(C)c1ncc(CNS(=O)(=O)N(C)CCC(=O)[O-])n1C ZINC000830651655 601261807 /nfs/dbraw/zinc/26/18/07/601261807.db2.gz YSBIZCCILODEHX-UHFFFAOYSA-N -1 0 319.387 -0.773 20 0 DBADRM C[C@H](O)C[C@H](C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736145640 598972643 /nfs/dbraw/zinc/97/26/43/598972643.db2.gz VHFQMWQMRSUMHM-YUMQZZPRSA-N -1 0 323.357 -0.917 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CC[C@](F)(C(=O)[O-])C1 ZINC000829513340 601444693 /nfs/dbraw/zinc/44/46/93/601444693.db2.gz KEZJREGCIPRAJY-CYBMUJFWSA-N -1 0 303.334 -0.530 20 0 DBADRM C[C@H]1CC(=O)NCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000828151684 601518246 /nfs/dbraw/zinc/51/82/46/601518246.db2.gz YHBMHOMSCUFJCK-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000820149479 601610418 /nfs/dbraw/zinc/61/04/18/601610418.db2.gz XEXSPYJQSAEIPD-NKWVEPMBSA-N -1 0 305.312 -0.897 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2CCSC2)n(C)c1=O ZINC000822600111 599078310 /nfs/dbraw/zinc/07/83/10/599078310.db2.gz KGCCTPFYJUQHSZ-ZCFIWIBFSA-N -1 0 309.355 -0.819 20 0 DBADRM C[C@@H]1CN(C(=S)NCCNS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000828411088 601764590 /nfs/dbraw/zinc/76/45/90/601764590.db2.gz DLBSBOAKCNRHDE-HTQZYQBOSA-N -1 0 309.413 -0.937 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC(C)(C)C2)n(C)c1=O ZINC000822599729 599093139 /nfs/dbraw/zinc/09/31/39/599093139.db2.gz HGLUHWWMMIBDKI-UHFFFAOYSA-N -1 0 305.342 -0.500 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000733704111 678254161 /nfs/dbraw/zinc/25/41/61/678254161.db2.gz XFTLTAVLJHOVMH-SECBINFHSA-N -1 0 310.397 -0.734 20 0 DBADRM CCN(C)C(=O)[C@H]1CSCN1C(=O)COCCNC(=O)[O-] ZINC000739380562 602664342 /nfs/dbraw/zinc/66/43/42/602664342.db2.gz MCQGFMPSIVVTJB-SECBINFHSA-N -1 0 319.383 -0.350 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000738949469 602691195 /nfs/dbraw/zinc/69/11/95/602691195.db2.gz KPTDKPXBVNTZTI-RKDXNWHRSA-N -1 0 307.372 -0.187 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000739316052 602854644 /nfs/dbraw/zinc/85/46/44/602854644.db2.gz UGKCCYXXAQPKLJ-NXEZZACHSA-N -1 0 321.399 -0.037 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCC[C@@H]2CNC(=O)[O-])S1 ZINC000831240012 603114097 /nfs/dbraw/zinc/11/40/97/603114097.db2.gz LJLQQPUXIPEVSF-RNFRBKRXSA-N -1 0 300.340 -0.199 20 0 DBADRM CN(CC(=O)[O-])C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000737974087 596899128 /nfs/dbraw/zinc/89/91/28/596899128.db2.gz RBVWGZMMGHHMSW-LLVKDONJSA-N -1 0 322.296 -0.211 20 0 DBADRM CN(CC(=O)[O-])CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000739631682 596903477 /nfs/dbraw/zinc/90/34/77/596903477.db2.gz VCDANUOSPFNSKS-UHFFFAOYSA-N -1 0 314.363 -0.277 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1C(=O)N(C)C ZINC000818899083 596926741 /nfs/dbraw/zinc/92/67/41/596926741.db2.gz ZLDHUMVGZXYVNY-UHFFFAOYSA-N -1 0 307.306 -0.164 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCCC(=O)[O-])C1=O ZINC000818478193 596927522 /nfs/dbraw/zinc/92/75/22/596927522.db2.gz FXRWAKCOVIAFFZ-OQPBUACISA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000054262712 596931030 /nfs/dbraw/zinc/93/10/30/596931030.db2.gz PMPIYSPKPYJZQN-UHFFFAOYSA-N -1 0 304.368 -0.960 20 0 DBADRM O=C([O-])C1CCN(CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC000738544754 596949776 /nfs/dbraw/zinc/94/97/76/596949776.db2.gz CUPDPERZGZEPHZ-UHFFFAOYSA-N -1 0 311.338 -0.159 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000740338227 596950244 /nfs/dbraw/zinc/95/02/44/596950244.db2.gz LZVFCRNYTNNIQB-UHFFFAOYSA-N -1 0 319.383 -0.775 20 0 DBADRM C[C@@]1(C2CCN(C(=O)NCCC(=O)[O-])CC2)NC(=O)NC1=O ZINC000818080592 596957363 /nfs/dbraw/zinc/95/73/63/596957363.db2.gz SPSOVYFWONTOLL-ZDUSSCGKSA-N -1 0 312.326 -0.519 20 0 DBADRM COc1cc(C(=O)N(C)[C@@H](C)C(=O)[O-])sc1S(N)(=O)=O ZINC000818556101 596970013 /nfs/dbraw/zinc/97/00/13/596970013.db2.gz PKDPMQQDQJJDAY-YFKPBYRVSA-N -1 0 322.364 -0.051 20 0 DBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)CSCC(=O)[O-] ZINC000128296734 596972175 /nfs/dbraw/zinc/97/21/75/596972175.db2.gz MFOSHQBMARQMJI-QMMMGPOBSA-N -1 0 313.422 -0.250 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)N(C)CCC(=O)[O-])CC1 ZINC000818485918 596990759 /nfs/dbraw/zinc/99/07/59/596990759.db2.gz DDIWJWGBLRQWPI-UHFFFAOYSA-N -1 0 300.359 -0.687 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000818432221 596991567 /nfs/dbraw/zinc/99/15/67/596991567.db2.gz IQXVUGUIRWACBM-UHFFFAOYSA-N -1 0 315.351 -0.050 20 0 DBADRM CCN(C(=O)CN(C)CCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000037932716 596997421 /nfs/dbraw/zinc/99/74/21/596997421.db2.gz MFSOOQYUWPPAST-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM CN(CCC(=O)[O-])C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000818420472 597009191 /nfs/dbraw/zinc/00/91/91/597009191.db2.gz RXNZWFPHMAMVJR-LLVKDONJSA-N -1 0 313.335 -0.350 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000740483236 597043095 /nfs/dbraw/zinc/04/30/95/597043095.db2.gz RXSWGNUDBUUHIN-UHFFFAOYSA-N -1 0 307.306 -0.338 20 0 DBADRM CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000739795950 597044098 /nfs/dbraw/zinc/04/40/98/597044098.db2.gz MFOHPFKSHZUUOM-QMMMGPOBSA-N -1 0 323.305 -0.201 20 0 DBADRM CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000739994489 597044153 /nfs/dbraw/zinc/04/41/53/597044153.db2.gz RJXQZFHAQLDDOV-UHFFFAOYSA-N -1 0 318.282 -0.632 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)NCC(=O)[O-])c(F)cc1F ZINC000739783145 597044558 /nfs/dbraw/zinc/04/45/58/597044558.db2.gz YBFBLHFZGNHTSX-UHFFFAOYSA-N -1 0 316.216 -0.109 20 0 DBADRM COCC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000739801954 597044875 /nfs/dbraw/zinc/04/48/75/597044875.db2.gz NDQDOYSLSKLNGD-UHFFFAOYSA-N -1 0 309.278 -0.589 20 0 DBADRM Cc1nc(-c2ccc(NC(=O)C(=O)NCC(=O)[O-])cc2)n[nH]1 ZINC000740205633 597045440 /nfs/dbraw/zinc/04/54/40/597045440.db2.gz WKTPWBRRGHXGPR-UHFFFAOYSA-N -1 0 303.278 -0.081 20 0 DBADRM CN1C(=O)c2ccc(NC(=O)C(=O)NCC(=O)[O-])cc2C1=O ZINC000739724902 597045859 /nfs/dbraw/zinc/04/58/59/597045859.db2.gz TXJGJOMXTSUJQB-UHFFFAOYSA-N -1 0 305.246 -0.948 20 0 DBADRM CNC(=O)CCOc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000739742394 597046034 /nfs/dbraw/zinc/04/60/34/597046034.db2.gz ZOIMXEVDIMLZGH-UHFFFAOYSA-N -1 0 323.305 -0.659 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000740482730 597046523 /nfs/dbraw/zinc/04/65/23/597046523.db2.gz BJAWUHDQWMXJMJ-UHFFFAOYSA-N -1 0 305.290 -0.047 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000740482797 597047627 /nfs/dbraw/zinc/04/76/27/597047627.db2.gz HMTGWJINEGQXKR-UHFFFAOYSA-N -1 0 307.262 -0.218 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000054303994 597055803 /nfs/dbraw/zinc/05/58/03/597055803.db2.gz FTNKTUOAYYEKMM-VIFPVBQESA-N -1 0 307.372 -0.568 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000054303992 597056274 /nfs/dbraw/zinc/05/62/74/597056274.db2.gz FTNKTUOAYYEKMM-SECBINFHSA-N -1 0 307.372 -0.568 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000157559813 597096417 /nfs/dbraw/zinc/09/64/17/597096417.db2.gz UEIBEUBRDVAXAS-UHFFFAOYSA-N -1 0 303.384 -0.963 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000818003495 597133213 /nfs/dbraw/zinc/13/32/13/597133213.db2.gz DETVEEFCDIUQRH-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CC[C@H]2NC(=O)NC2=O)cc1 ZINC000819142312 597151260 /nfs/dbraw/zinc/15/12/60/597151260.db2.gz XAKBPTGRANRWLL-SNVBAGLBSA-N -1 0 305.290 -0.011 20 0 DBADRM O=C([O-])[C@@H]1CCCN1C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000819696638 597163907 /nfs/dbraw/zinc/16/39/07/597163907.db2.gz XMACGFXQVFYFSZ-PUUHTONNSA-N -1 0 309.322 -0.170 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1)C(=O)[O-] ZINC000818266636 597221307 /nfs/dbraw/zinc/22/13/07/597221307.db2.gz KAUGVNIKOFDUSH-SECBINFHSA-N -1 0 311.269 -0.158 20 0 DBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000818136242 597222510 /nfs/dbraw/zinc/22/25/10/597222510.db2.gz QNULIZSIZBIPPO-LLVKDONJSA-N -1 0 314.386 -0.297 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)NCCC(=O)[O-])C2=O)n(C)n1 ZINC000818829638 597225374 /nfs/dbraw/zinc/22/53/74/597225374.db2.gz GAPDTJSHVUIIOT-SECBINFHSA-N -1 0 309.326 -0.392 20 0 DBADRM C[C@H](C(=O)NCCCC(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC000817737776 597231169 /nfs/dbraw/zinc/23/11/69/597231169.db2.gz BZLICJJIMHGMHB-SECBINFHSA-N -1 0 307.368 -0.050 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000738436704 597248563 /nfs/dbraw/zinc/24/85/63/597248563.db2.gz JNEVMFJPALZWPY-JTQLQIEISA-N -1 0 319.317 -0.414 20 0 DBADRM Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NCC(=O)[O-] ZINC000819000197 597276457 /nfs/dbraw/zinc/27/64/57/597276457.db2.gz SHNVFPYCEJCPFK-UHFFFAOYSA-N -1 0 322.321 -0.634 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)NCCCC(=O)[O-])[nH]c2=O ZINC000819084171 597279015 /nfs/dbraw/zinc/27/90/15/597279015.db2.gz DMGDZTXASAYVGQ-UHFFFAOYSA-N -1 0 307.310 -0.018 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826449801 607778318 /nfs/dbraw/zinc/77/83/18/607778318.db2.gz KHYCBPZQBKAULW-ZCFIWIBFSA-N -1 0 312.311 -0.957 20 0 DBADRM O=C([O-])CCNC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000819477371 597293456 /nfs/dbraw/zinc/29/34/56/597293456.db2.gz AWPJDXBREIGHQT-LLVKDONJSA-N -1 0 313.354 -0.259 20 0 DBADRM O=C([O-])CCNC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000819477367 597296812 /nfs/dbraw/zinc/29/68/12/597296812.db2.gz ANJADJGUMINIDM-UHFFFAOYSA-N -1 0 319.325 -0.569 20 0 DBADRM O=C([O-])CCCNC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000819439850 597308241 /nfs/dbraw/zinc/30/82/41/597308241.db2.gz KKVBFJCIWVCHTM-UHFFFAOYSA-N -1 0 308.356 -0.910 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1)C(=O)[O-] ZINC000818023132 597322702 /nfs/dbraw/zinc/32/27/02/597322702.db2.gz TZSOUFARXYIKRO-PSASIEDQSA-N -1 0 319.317 -0.182 20 0 DBADRM COC1(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)CCOCC1 ZINC000820703119 597347430 /nfs/dbraw/zinc/34/74/30/597347430.db2.gz OPQTYAOWAOZMMU-JTQLQIEISA-N -1 0 302.327 -0.323 20 0 DBADRM COC(=O)[C@H](O)C1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000820653322 597350383 /nfs/dbraw/zinc/35/03/83/597350383.db2.gz DOGRGRGAWUTKGJ-LLVKDONJSA-N -1 0 305.352 -0.423 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)OCc2cn(CC(=O)[O-])nn2)C1 ZINC000820257061 597355881 /nfs/dbraw/zinc/35/58/81/597355881.db2.gz UBIJEYPAQZPLQS-VIFPVBQESA-N -1 0 310.310 -0.336 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C ZINC000820562151 597362034 /nfs/dbraw/zinc/36/20/34/597362034.db2.gz ABBAZUTUBJGKFW-SSDOTTSWSA-N -1 0 303.315 -0.702 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)NCCCCCC(=O)[O-])C1 ZINC000820640599 597368110 /nfs/dbraw/zinc/36/81/10/597368110.db2.gz GPWLSWVUUXQWPI-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCCCCC(=O)[O-])C1 ZINC000820640602 597368151 /nfs/dbraw/zinc/36/81/51/597368151.db2.gz GPWLSWVUUXQWPI-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cnc3n(c2=O)CCS3)CCO1 ZINC000049864867 597373243 /nfs/dbraw/zinc/37/32/43/597373243.db2.gz PRSZYELADIMUPQ-MRVPVSSYSA-N -1 0 311.319 -0.725 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2ncc3ccccc3c2=O)CCO1 ZINC000738546583 597373507 /nfs/dbraw/zinc/37/35/07/597373507.db2.gz HNGZAAPKRTYMHX-LBPRGKRZSA-N -1 0 317.301 -0.292 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000043701068 597377702 /nfs/dbraw/zinc/37/77/02/597377702.db2.gz DVGVKHWKKFLVFT-DTWKUNHWSA-N -1 0 323.392 -0.781 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000820890666 597385735 /nfs/dbraw/zinc/38/57/35/597385735.db2.gz LKDJDMWDXSAGHZ-UWVGGRQHSA-N -1 0 319.383 -0.616 20 0 DBADRM O=C([O-])[C@@H]1CN(CCN2C(=O)NC3(CCCC3)C2=O)CCO1 ZINC000738547642 597399263 /nfs/dbraw/zinc/39/92/63/597399263.db2.gz ACDWCBFUUSWELZ-JTQLQIEISA-N -1 0 311.338 -0.364 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000821510882 597408408 /nfs/dbraw/zinc/40/84/08/597408408.db2.gz QSTULMJOINPRCU-JTQLQIEISA-N -1 0 304.368 -0.073 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC000818506984 597411466 /nfs/dbraw/zinc/41/14/66/597411466.db2.gz WBOSUYAJLJVTIX-MRVPVSSYSA-N -1 0 312.282 -0.627 20 0 DBADRM O=C([O-])[C@H]1CN(Cn2nc(CO)n(C3CC3)c2=S)CCO1 ZINC000821512446 597417178 /nfs/dbraw/zinc/41/71/78/597417178.db2.gz IHQSEUCGOILCRY-SECBINFHSA-N -1 0 314.367 -0.016 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2nnc3n2CCCC3)CCO1 ZINC000738549049 597419492 /nfs/dbraw/zinc/41/94/92/597419492.db2.gz VRQROQFKJAOBEF-VIFPVBQESA-N -1 0 309.326 -0.391 20 0 DBADRM C[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)c1nnc2n1CCC2 ZINC000737682812 597424568 /nfs/dbraw/zinc/42/45/68/597424568.db2.gz IGHMNXAGLMMMPZ-RKDXNWHRSA-N -1 0 309.326 -0.220 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)c1nnc2n1CCC2 ZINC000737682800 597424823 /nfs/dbraw/zinc/42/48/23/597424823.db2.gz IGHMNXAGLMMMPZ-DTWKUNHWSA-N -1 0 309.326 -0.220 20 0 DBADRM COCCNC(=O)c1ccc(N2CCO[C@@H](C(=O)[O-])C2)nc1 ZINC000818542873 597440986 /nfs/dbraw/zinc/44/09/86/597440986.db2.gz XBWXKEJCEBDAOM-LLVKDONJSA-N -1 0 309.322 -0.252 20 0 DBADRM CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000818136490 597449199 /nfs/dbraw/zinc/44/91/99/597449199.db2.gz WZSBPWDMWWMAFV-GUBZILKMSA-N -1 0 301.343 -0.215 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000817753111 597469451 /nfs/dbraw/zinc/46/94/51/597469451.db2.gz LXDLMSDPKATRNY-MRVPVSSYSA-N -1 0 316.335 -0.356 20 0 DBADRM C[C@H](C(=O)[O-])N(C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000817772268 597469883 /nfs/dbraw/zinc/46/98/83/597469883.db2.gz PHLVAEFQDPILDC-LLVKDONJSA-N -1 0 307.354 -0.470 20 0 DBADRM C[C@H](C(=O)[O-])N(C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000817772390 597475216 /nfs/dbraw/zinc/47/52/16/597475216.db2.gz XFTHJBIELHKKCE-MRVPVSSYSA-N -1 0 315.351 -0.323 20 0 DBADRM COC(=O)c1nn(CN(C)[C@H](C)C(=O)[O-])c(=O)c2noc(C)c21 ZINC000818527946 597483501 /nfs/dbraw/zinc/48/35/01/597483501.db2.gz AAHYBLBFCPBCNF-ZCFIWIBFSA-N -1 0 324.293 -0.158 20 0 DBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CSCC(=O)[O-] ZINC000818114105 597495098 /nfs/dbraw/zinc/49/50/98/597495098.db2.gz WOFGAHVRGRSGIK-DTWKUNHWSA-N -1 0 324.424 -0.410 20 0 DBADRM C[C@H](OC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000737710320 597497836 /nfs/dbraw/zinc/49/78/36/597497836.db2.gz XBOBMTWRWVRIQD-XHNCKOQMSA-N -1 0 319.335 -0.962 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000819696281 597499971 /nfs/dbraw/zinc/49/99/71/597499971.db2.gz JEZONOGPBJJLRR-PUUHTONNSA-N -1 0 309.322 -0.312 20 0 DBADRM CN(CCCNC(=O)N1CC[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000692438620 597508294 /nfs/dbraw/zinc/50/82/94/597508294.db2.gz HDAMNYLEIXIPCN-SECBINFHSA-N -1 0 307.372 -0.616 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1)C(=O)[O-] ZINC000818018714 597517139 /nfs/dbraw/zinc/51/71/39/597517139.db2.gz QTVKMYLPBIMFSB-MRVPVSSYSA-N -1 0 307.306 -0.084 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cncn2)nc1)C(=O)[O-] ZINC000818017519 597517175 /nfs/dbraw/zinc/51/71/75/597517175.db2.gz ARFAXYNWNKTRJL-SSDOTTSWSA-N -1 0 304.266 -0.810 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1)C(=O)[O-] ZINC000818019111 597517559 /nfs/dbraw/zinc/51/75/59/597517559.db2.gz XSCJENUNCDIGAA-VIFPVBQESA-N -1 0 321.333 -0.155 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000818017579 597518308 /nfs/dbraw/zinc/51/83/08/597518308.db2.gz CEUVYVPXCRQADO-ZCFIWIBFSA-N -1 0 315.307 -0.987 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cncn1)C(=O)[O-] ZINC000818022468 597519674 /nfs/dbraw/zinc/51/96/74/597519674.db2.gz HPMJJDRAYMUYMR-MRVPVSSYSA-N -1 0 303.278 -0.205 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818005101 597520753 /nfs/dbraw/zinc/52/07/53/597520753.db2.gz ZWTDPZBYLFGKBU-MRVPVSSYSA-N -1 0 307.306 -0.368 20 0 DBADRM Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000818879006 597522157 /nfs/dbraw/zinc/52/21/57/597522157.db2.gz FPKNPSATWCSSBO-JTQLQIEISA-N -1 0 319.317 -0.034 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(OC)n1 ZINC000818593671 597523077 /nfs/dbraw/zinc/52/30/77/597523077.db2.gz FZSYTAFQTCMFPN-MRVPVSSYSA-N -1 0 323.305 -0.030 20 0 DBADRM NC(=O)c1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1F ZINC000819120574 597524516 /nfs/dbraw/zinc/52/45/16/597524516.db2.gz ILCIDBBTOJXNFC-ZETCQYMHSA-N -1 0 323.280 -0.204 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](C(=O)[O-])C1 ZINC000817737867 597530313 /nfs/dbraw/zinc/53/03/13/597530313.db2.gz LBXHLKTUJHVISO-BBBLOLIVSA-N -1 0 304.368 -0.915 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=S)NCCCN2CCOCC2)C1 ZINC000819281454 597532336 /nfs/dbraw/zinc/53/23/36/597532336.db2.gz TZEVFCMZRYOFGE-NSHDSACASA-N -1 0 301.412 -0.010 20 0 DBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000261731753 597532565 /nfs/dbraw/zinc/53/25/65/597532565.db2.gz SPSORYUAMRFIIX-SECBINFHSA-N -1 0 323.334 -0.243 20 0 DBADRM Cn1c(CCC(N)=O)nn(CN2CC[C@H](C(=O)[O-])C2)c1=S ZINC000819063550 597539067 /nfs/dbraw/zinc/53/90/67/597539067.db2.gz DLDWBHGTKCJGSL-QMMMGPOBSA-N -1 0 313.383 -0.267 20 0 DBADRM CC(=O)NCCN(C(=O)c1cccn(C)c1=O)[C@@H](C)C(=O)[O-] ZINC000819758361 597683372 /nfs/dbraw/zinc/68/33/72/597683372.db2.gz ZIBQHUQWYPNCIP-VIFPVBQESA-N -1 0 309.322 -0.563 20 0 DBADRM CC(=O)NCCN(C(=O)C[C@@](C)(O)C1CC1)[C@@H](C)C(=O)[O-] ZINC000819744428 597684898 /nfs/dbraw/zinc/68/48/98/597684898.db2.gz LZLACQJRAOQUAL-LKFCYVNXSA-N -1 0 300.355 -0.025 20 0 DBADRM CCN1C[C@H](C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])CC1=O ZINC000262152874 597686285 /nfs/dbraw/zinc/68/62/85/597686285.db2.gz BCIANTMMBHIZCX-MWLCHTKSSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C\c1ccncn1)[C@@H](C)C(=O)[O-] ZINC000819744523 597688256 /nfs/dbraw/zinc/68/82/56/597688256.db2.gz RLBZCOLVFCIYRY-XOULXFPDSA-N -1 0 306.322 -0.072 20 0 DBADRM CC(=O)NCCN(C(=O)CS(=O)(=O)C(C)C)[C@H](C)C(=O)[O-] ZINC000262254840 597689525 /nfs/dbraw/zinc/68/95/25/597689525.db2.gz RAONKDFILZFFMT-SECBINFHSA-N -1 0 322.383 -0.753 20 0 DBADRM CC(=O)NCCN(C(=O)COC1CCOCC1)[C@@H](C)C(=O)[O-] ZINC000262170976 597694376 /nfs/dbraw/zinc/69/43/76/597694376.db2.gz DFJSWTKXWUHABM-JTQLQIEISA-N -1 0 316.354 -0.380 20 0 DBADRM CCCn1cc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])nn1 ZINC000820330352 597695050 /nfs/dbraw/zinc/69/50/50/597695050.db2.gz UCEFHJXACVIQPR-VIFPVBQESA-N -1 0 311.342 -0.261 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccc3c2OCO3)CCO1 ZINC000821470673 597726130 /nfs/dbraw/zinc/72/61/30/597726130.db2.gz UFKBBOIMXAVMSD-SNVBAGLBSA-N -1 0 322.273 -0.334 20 0 DBADRM Cn1cc(CNC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)nn1 ZINC000821287382 597731243 /nfs/dbraw/zinc/73/12/43/597731243.db2.gz JZGKYPKZXAPDAR-UHFFFAOYSA-N -1 0 317.305 -0.303 20 0 DBADRM CC(C)Cc1noc(C[S@](=O)CC(=O)NCC(=O)[O-])n1 ZINC000819992892 597735738 /nfs/dbraw/zinc/73/57/38/597735738.db2.gz JWLFILXZEPJDBF-HXUWFJFHSA-N -1 0 303.340 -0.282 20 0 DBADRM CC(C)(C)c1nc(C[S@@](=O)CC(=O)NCC(=O)[O-])no1 ZINC000819932587 597736351 /nfs/dbraw/zinc/73/63/51/597736351.db2.gz NJQLEIPBGNDRBI-HXUWFJFHSA-N -1 0 303.340 -0.183 20 0 DBADRM CNC(=O)c1ccc(C[S@](=O)CC(=O)NCC(=O)[O-])cc1 ZINC000820637407 597736811 /nfs/dbraw/zinc/73/68/11/597736811.db2.gz KJXHEZASMQHVMG-NRFANRHFSA-N -1 0 312.347 -0.504 20 0 DBADRM COCc1nc(C[S@@](=O)CC(=O)NCC(=O)[O-])cs1 ZINC000820749228 597736889 /nfs/dbraw/zinc/73/68/89/597736889.db2.gz KUFSOPXNYIBVAY-LJQANCHMSA-N -1 0 306.365 -0.261 20 0 DBADRM Cc1cc([C@]2(C)NC(=O)N(CC(=O)NCC(=O)[O-])C2=O)c(C)o1 ZINC000820972826 597754773 /nfs/dbraw/zinc/75/47/73/597754773.db2.gz YOLWNRPAGFBWII-AWEZNQCLSA-N -1 0 323.305 -0.136 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000821530342 597778221 /nfs/dbraw/zinc/77/82/21/597778221.db2.gz GEUYLIZCNAHSNZ-JTQLQIEISA-N -1 0 307.354 -0.396 20 0 DBADRM Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CC(=O)NCC(=O)[O-])cn1 ZINC000821287488 597805655 /nfs/dbraw/zinc/80/56/55/597805655.db2.gz NWDTWTNDZJHUSL-VXGBXAGGSA-N -1 0 310.354 -0.491 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1CCCCN1c1ncccn1 ZINC000821532774 597833313 /nfs/dbraw/zinc/83/33/13/597833313.db2.gz VKFKSDXWCYNJOH-SNVBAGLBSA-N -1 0 322.321 -0.421 20 0 DBADRM Cn1c(C(=O)OCCCC(=O)[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC000738401005 597836489 /nfs/dbraw/zinc/83/64/89/597836489.db2.gz UQCMITGTQJIVGP-UHFFFAOYSA-N -1 0 323.305 -0.403 20 0 DBADRM CCCC(=O)N1CCCC[C@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820297480 597837200 /nfs/dbraw/zinc/83/72/00/597837200.db2.gz ZVCHVIUALAXCRA-JTQLQIEISA-N -1 0 314.338 -0.088 20 0 DBADRM CS(=O)(=O)C1(C(=O)OCC(=O)NCC(=O)[O-])CCCC1 ZINC000820886115 597838984 /nfs/dbraw/zinc/83/89/84/597838984.db2.gz VXFQAIDVFQGXLJ-UHFFFAOYSA-N -1 0 307.324 -0.912 20 0 DBADRM CCCN(C(=O)[C@H](C)N(C)CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000820317093 598042241 /nfs/dbraw/zinc/04/22/41/598042241.db2.gz BLYGELZHGXPAII-QWRGUYRKSA-N -1 0 320.411 -0.183 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N(CC(=O)[O-])C(C)C)CC1 ZINC000037994519 598059337 /nfs/dbraw/zinc/05/93/37/598059337.db2.gz RPHGCGGQYPYANO-UHFFFAOYSA-N -1 0 322.383 -0.089 20 0 DBADRM CCN(C(=O)CN(CC(=O)[O-])C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000037995226 598079484 /nfs/dbraw/zinc/07/94/84/598079484.db2.gz KWSZWCGPBIHWOR-LLVKDONJSA-N -1 0 320.411 -0.183 20 0 DBADRM CC(C)N(CC(=O)[O-])CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000820009441 598082878 /nfs/dbraw/zinc/08/28/78/598082878.db2.gz GBNYOIRSUKRGBX-UHFFFAOYSA-N -1 0 311.382 -0.138 20 0 DBADRM O=C([O-])CCCNS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776440796 598086913 /nfs/dbraw/zinc/08/69/13/598086913.db2.gz ZCUZCOMJMYJYRP-UHFFFAOYSA-N -1 0 308.356 -0.476 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000821357627 598092285 /nfs/dbraw/zinc/09/22/85/598092285.db2.gz YMDMVSNQLQLTFC-SECBINFHSA-N -1 0 303.278 -0.483 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1)C(=O)[O-] ZINC000820115115 598094640 /nfs/dbraw/zinc/09/46/40/598094640.db2.gz UBDWVAWCIQSEHS-SECBINFHSA-N -1 0 317.305 -0.146 20 0 DBADRM NC(=O)c1cnn2cc(CN3CCO[C@@H](C(=O)[O-])C3)cnc12 ZINC000821357074 598125106 /nfs/dbraw/zinc/12/51/06/598125106.db2.gz GLBAWOWNLLIXRL-SNVBAGLBSA-N -1 0 305.294 -0.886 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C2=NN(CCO)C(=O)CC2)CC1 ZINC000821406271 598150543 /nfs/dbraw/zinc/15/05/43/598150543.db2.gz FRWVZYCUNHJYEG-UHFFFAOYSA-N -1 0 311.338 -0.283 20 0 DBADRM Cn1c2[nH]c(CN3CCCC[C@@H]3C(=O)[O-])nc2c(=O)n(C)c1=O ZINC000821269177 598162071 /nfs/dbraw/zinc/16/20/71/598162071.db2.gz PGFCTVANZDVIMD-MRVPVSSYSA-N -1 0 321.337 -0.601 20 0 DBADRM COCc1cc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)ncn1 ZINC000820744041 598169907 /nfs/dbraw/zinc/16/99/07/598169907.db2.gz ZBPSDWDEDRPGNS-JTQLQIEISA-N -1 0 310.310 -0.213 20 0 DBADRM CN1CC[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1=O ZINC000820620324 598174804 /nfs/dbraw/zinc/17/48/04/598174804.db2.gz JNMLIWOFFCEUTP-JTQLQIEISA-N -1 0 305.290 -0.330 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1=O ZINC000820614572 598175138 /nfs/dbraw/zinc/17/51/38/598175138.db2.gz HSSFLOHLOVWMIQ-QMMMGPOBSA-N -1 0 305.290 -0.330 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@@]1(O)CCOC1 ZINC000821415769 598175684 /nfs/dbraw/zinc/17/56/84/598175684.db2.gz YVMCWEOURNMCEL-AWEZNQCLSA-N -1 0 308.290 -0.409 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000821349824 598175866 /nfs/dbraw/zinc/17/58/66/598175866.db2.gz GLQFHGLXENZOTF-UHFFFAOYSA-N -1 0 322.277 -0.976 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnccn1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826450516 607779830 /nfs/dbraw/zinc/77/98/30/607779830.db2.gz PPYBOSWBIPXBME-UHFFFAOYSA-N -1 0 320.294 -0.897 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000820154097 598220539 /nfs/dbraw/zinc/22/05/39/598220539.db2.gz FZPHLMORXBWGHL-OUJBWJOFSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1CCC[C@H]1Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736264148 598244455 /nfs/dbraw/zinc/24/44/55/598244455.db2.gz VIXYIISXWZLFRE-HTQZYQBOSA-N -1 0 305.342 -0.135 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCS(C)(=O)=O)CC1 ZINC000827362237 601121655 /nfs/dbraw/zinc/12/16/55/601121655.db2.gz LJEAKCJLDHMMIW-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cccc(-c3nnn[n-]3)c2=O)C[C@@H](C)O1 ZINC000736282584 598677306 /nfs/dbraw/zinc/67/73/06/598677306.db2.gz YTZCAEJXDPAZLA-NXEZZACHSA-N -1 0 318.337 -0.336 20 0 DBADRM O=C(NCc1ccc(-c2nn[nH]n2)cc1F)c1cc(=O)[nH][n-]1 ZINC000738297709 598722600 /nfs/dbraw/zinc/72/26/00/598722600.db2.gz UYKNVXPQOLRPRL-UHFFFAOYSA-N -1 0 303.257 -0.502 20 0 DBADRM Cc1nn(Cc2cc(=O)c(O)co2)c(=O)c(-c2nnn[n-]2)c1C ZINC000737521564 599368462 /nfs/dbraw/zinc/36/84/62/599368462.db2.gz JCJBXUWVIFFMQA-UHFFFAOYSA-N -1 0 316.277 -0.253 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CCNC(=O)[O-] ZINC000738164926 599720079 /nfs/dbraw/zinc/72/00/79/599720079.db2.gz HPFOFXPZQDPBDQ-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)CCCN(C)C(=O)[O-])CC1 ZINC000737350180 599725807 /nfs/dbraw/zinc/72/58/07/599725807.db2.gz NPHOUQZIGFCCTR-UHFFFAOYSA-N -1 0 314.386 -0.391 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000250662263 599726121 /nfs/dbraw/zinc/72/61/21/599726121.db2.gz GBXARCDOUZTMLE-VHSXEESVSA-N -1 0 322.383 -0.089 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000218280559 599728098 /nfs/dbraw/zinc/72/80/98/599728098.db2.gz HCCRBSKPZWDOIH-NXEZZACHSA-N -1 0 320.367 -0.335 20 0 DBADRM O=C([O-])Cn1ccc(NC(=S)NCCN2CCOCC2)n1 ZINC000739920941 599732641 /nfs/dbraw/zinc/73/26/41/599732641.db2.gz XTLCLUPGXVCWNT-UHFFFAOYSA-N -1 0 313.383 -0.414 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC000736133967 599733245 /nfs/dbraw/zinc/73/32/45/599733245.db2.gz HYPQJDORWMOFGR-UHFFFAOYSA-N -1 0 320.349 -0.326 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)CCNC(=O)[O-])CC1 ZINC000737222945 599743209 /nfs/dbraw/zinc/74/32/09/599743209.db2.gz OIFXZCPRGYUMLH-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H](CO)C(=O)[O-])C2=O ZINC000738666054 599744569 /nfs/dbraw/zinc/74/45/69/599744569.db2.gz RHBLNYGEXBVYOF-SNVBAGLBSA-N -1 0 306.274 -0.847 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCSCC(=O)[O-] ZINC000737591007 599745237 /nfs/dbraw/zinc/74/52/37/599745237.db2.gz JVAFKZVISGOCST-MRVPVSSYSA-N -1 0 318.351 -0.916 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)CCSCC(=O)[O-])CC1 ZINC000736135240 599746346 /nfs/dbraw/zinc/74/63/46/599746346.db2.gz YHFGWNAIZVAZTF-UHFFFAOYSA-N -1 0 317.411 -0.525 20 0 DBADRM CN(CCCC(=O)NCCN1CCCS1(=O)=O)C(=O)[O-] ZINC000737426775 599746535 /nfs/dbraw/zinc/74/65/35/599746535.db2.gz YYYCGVWXUCZEDF-UHFFFAOYSA-N -1 0 307.372 -0.472 20 0 DBADRM Cc1cccc(-n2cc(C(=O)OCC(=O)NCC(=O)[O-])nn2)c1 ZINC000738680322 599748328 /nfs/dbraw/zinc/74/83/28/599748328.db2.gz FLYWSKKHLKILTA-UHFFFAOYSA-N -1 0 318.289 -0.067 20 0 DBADRM CN(CCCC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O)C(=O)[O-] ZINC000737419296 599748706 /nfs/dbraw/zinc/74/87/06/599748706.db2.gz WCDKKMGUNNMCIX-CYBMUJFWSA-N -1 0 312.326 -0.471 20 0 DBADRM COCCCN(C(=O)CCNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737760298 599750565 /nfs/dbraw/zinc/75/05/65/599750565.db2.gz RCKMOXTZQDKNQD-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000739236334 599761935 /nfs/dbraw/zinc/76/19/35/599761935.db2.gz RZHCBXYBDUWDRM-MNOVXSKESA-N -1 0 319.317 -0.213 20 0 DBADRM C[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037016607 599770594 /nfs/dbraw/zinc/77/05/94/599770594.db2.gz VDFXHTUWAQYZNX-VIFPVBQESA-N -1 0 318.351 -0.023 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000261674507 599773321 /nfs/dbraw/zinc/77/33/21/599773321.db2.gz KXHLVODLTGSZEN-UHFFFAOYSA-N -1 0 314.319 -0.804 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000037739511 599774675 /nfs/dbraw/zinc/77/46/75/599774675.db2.gz RJRSBCSFOQWZIT-UHFFFAOYSA-N -1 0 321.376 -0.151 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000054310580 599776961 /nfs/dbraw/zinc/77/69/61/599776961.db2.gz SWDXYWJTMRVVSU-SECBINFHSA-N -1 0 306.384 -0.115 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000262500521 599781884 /nfs/dbraw/zinc/78/18/84/599781884.db2.gz IEWKMMSBLOMXNT-ZJUUUORDSA-N -1 0 306.384 -0.115 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN(C)CCS(C)(=O)=O)C(=O)[O-] ZINC000736873828 599810217 /nfs/dbraw/zinc/81/02/17/599810217.db2.gz BNIWIBJSOZNYOI-GXSJLCMTSA-N -1 0 308.400 -0.422 20 0 DBADRM O=C([O-])c1ncn(CC(=O)NC[C@@H]2COc3ccccc3O2)n1 ZINC000739360393 599824941 /nfs/dbraw/zinc/82/49/41/599824941.db2.gz DBHSODATWOHFBQ-SECBINFHSA-N -1 0 318.289 -0.068 20 0 DBADRM O=C([O-])CCNC(=O)CN1C(=O)NC2(CCSCC2)C1=O ZINC000739733317 599843510 /nfs/dbraw/zinc/84/35/10/599843510.db2.gz BFUDPGUEXZXLTI-UHFFFAOYSA-N -1 0 315.351 -0.605 20 0 DBADRM Cn1cc(N2C(=O)C[C@@H](N3CCC(C(=O)[O-])CC3)C2=O)cn1 ZINC000738407127 599858990 /nfs/dbraw/zinc/85/89/90/599858990.db2.gz XDDSHHSURJWHKA-LLVKDONJSA-N -1 0 306.322 -0.151 20 0 DBADRM COc1ccc([C@H](NCC(=O)N2CCNC(=O)C2)C(=O)[O-])cc1 ZINC000737968684 599860168 /nfs/dbraw/zinc/86/01/68/599860168.db2.gz CZPRIRIBPPGDAE-AWEZNQCLSA-N -1 0 321.333 -0.631 20 0 DBADRM C[C@@H](NC(=O)COC(=O)CCCN(C)C(=O)[O-])C(=O)N(C)C ZINC000736638498 599872546 /nfs/dbraw/zinc/87/25/46/599872546.db2.gz GAWSYBDHWZNYPZ-SECBINFHSA-N -1 0 317.342 -0.488 20 0 DBADRM C[C@H](OC(=O)CCCN(C)C(=O)[O-])C(=O)N1CCNC1=O ZINC000736686096 599873484 /nfs/dbraw/zinc/87/34/84/599873484.db2.gz SEJMLVKRAPLJDQ-QMMMGPOBSA-N -1 0 301.299 -0.140 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737121362 599876813 /nfs/dbraw/zinc/87/68/13/599876813.db2.gz IDSBBUQULMAFMS-UHFFFAOYSA-N -1 0 321.333 -0.105 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737536162 599879433 /nfs/dbraw/zinc/87/94/33/599879433.db2.gz FYGGLDNAPQTWOK-UHFFFAOYSA-N -1 0 321.333 -0.153 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737537549 599879987 /nfs/dbraw/zinc/87/99/87/599879987.db2.gz UXOOPNFNYAINIB-UHFFFAOYSA-N -1 0 321.333 -0.105 20 0 DBADRM CN(CC(=O)Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)C(=O)[O-] ZINC000737406122 599882380 /nfs/dbraw/zinc/88/23/80/599882380.db2.gz KZMZHABKIABIGX-JTQLQIEISA-N -1 0 321.289 -0.048 20 0 DBADRM O=C([O-])CSCCNC(=S)NCCCN1CCOCC1 ZINC000739864609 599885482 /nfs/dbraw/zinc/88/54/82/599885482.db2.gz LSMXQYOAKCSWRF-UHFFFAOYSA-N -1 0 321.468 -0.009 20 0 DBADRM O=C([O-])CSCCNC(=O)[C@@]12CCC(=O)N1CCS2 ZINC000739857340 599891266 /nfs/dbraw/zinc/89/12/66/599891266.db2.gz HESCKKOKKHSQOE-NSHDSACASA-N -1 0 304.393 -0.014 20 0 DBADRM Cc1ccc(CN2C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])CC2=O)cc1 ZINC000738594873 599896965 /nfs/dbraw/zinc/89/69/65/599896965.db2.gz VEXFQDDESPLCJZ-OLZOCXBDSA-N -1 0 320.345 -0.095 20 0 DBADRM Cc1nc(CN2CCN(CC(=O)NCCC(=O)[O-])CC2)oc1C ZINC000738856674 599914418 /nfs/dbraw/zinc/91/44/18/599914418.db2.gz ASMPQPQMUUMCLD-UHFFFAOYSA-N -1 0 324.381 0.000 20 0 DBADRM Cc1nc(CN2CCN([C@H](C)C(=O)NCC(=O)[O-])CC2)oc1C ZINC000738858422 599914432 /nfs/dbraw/zinc/91/44/32/599914432.db2.gz RMGXKPRYYJXAAI-LLVKDONJSA-N -1 0 324.381 -0.002 20 0 DBADRM C[C@@H](CNC(=O)COCC(=O)NCc1cccnc1)C(=O)[O-] ZINC000736595484 599916985 /nfs/dbraw/zinc/91/69/85/599916985.db2.gz ONWBTNGKVTZJAJ-JTQLQIEISA-N -1 0 309.322 -0.449 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC(c2nnc3n2CCC3)CC1 ZINC000739809436 599921671 /nfs/dbraw/zinc/92/16/71/599921671.db2.gz VISFHRRANSPHDE-UHFFFAOYSA-N -1 0 307.354 -0.396 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN(C)C[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC000736880221 599923557 /nfs/dbraw/zinc/92/35/57/599923557.db2.gz UXUJXGBYKBITOC-SGMGOOAPSA-N -1 0 315.414 -0.136 20 0 DBADRM C[C@@H](Sc1nnnn1C1CCOCC1)C(=O)NCC(=O)[O-] ZINC000736715046 599925875 /nfs/dbraw/zinc/92/58/75/599925875.db2.gz LDZOMSPELNUOJT-SSDOTTSWSA-N -1 0 315.355 -0.294 20 0 DBADRM O=C([O-])CCCNC(=S)NCCCN1C(=O)CCC1=O ZINC000739680457 599927788 /nfs/dbraw/zinc/92/77/88/599927788.db2.gz DGENSWNUZZZDIW-UHFFFAOYSA-N -1 0 301.368 -0.146 20 0 DBADRM Nc1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc(Cl)n1 ZINC000739203891 599928370 /nfs/dbraw/zinc/92/83/70/599928370.db2.gz JSXSPRGDARNQDX-ZETCQYMHSA-N -1 0 312.713 -0.268 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262152525 599938640 /nfs/dbraw/zinc/93/86/40/599938640.db2.gz UDULFGVABGQALV-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM C[C@@H](Cn1cncn1)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736629094 599939035 /nfs/dbraw/zinc/93/90/35/599939035.db2.gz IZVDYQVEJZRBOK-ZETCQYMHSA-N -1 0 300.296 -0.064 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)N1CCCNC(=O)C1 ZINC000087885228 599940337 /nfs/dbraw/zinc/94/03/37/599940337.db2.gz HYEBLQDMMNYPGO-UHFFFAOYSA-N -1 0 304.349 -0.043 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cs1 ZINC000738445179 599944944 /nfs/dbraw/zinc/94/49/44/599944944.db2.gz OMVXKIZNTKDCNT-ZETCQYMHSA-N -1 0 320.348 -0.679 20 0 DBADRM NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738438649 599948553 /nfs/dbraw/zinc/94/85/53/599948553.db2.gz BQTOJLMKYVOTHR-RYUDHWBXSA-N -1 0 321.333 -0.422 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)N2CCCNC(=O)C2)cc1 ZINC000739877434 599953962 /nfs/dbraw/zinc/95/39/62/599953962.db2.gz OSVHGJJPLJDKKD-UHFFFAOYSA-N -1 0 319.317 -0.399 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2C(=O)C[C@@]3(CCSC3)C2=O)CCO1 ZINC000738548499 599954887 /nfs/dbraw/zinc/95/48/87/599954887.db2.gz HRYKZSIMPLZZEX-TVQRCGJNSA-N -1 0 314.363 -0.389 20 0 DBADRM O=C([O-])[C@@H]1CN(Cn2nnn(-c3ccccc3)c2=O)CCO1 ZINC000738551882 599955805 /nfs/dbraw/zinc/95/58/05/599955805.db2.gz JUASDRRNAYZVQH-NSHDSACASA-N -1 0 305.294 -0.828 20 0 DBADRM O=C([O-])[C@H]1CN(CN2C(=O)NC3(CCCCC3)C2=O)CCO1 ZINC000738548536 599957338 /nfs/dbraw/zinc/95/73/38/599957338.db2.gz JIORGFOKQWSQIT-SNVBAGLBSA-N -1 0 311.338 -0.016 20 0 DBADRM O=C([O-])[C@@H]1CN(CC(=O)N2CCC3(CC2)OCCO3)CCO1 ZINC000738547984 599966368 /nfs/dbraw/zinc/96/63/68/599966368.db2.gz GGAAXNIELXJLMA-NSHDSACASA-N -1 0 314.338 -0.863 20 0 DBADRM O=C([O-])[C@@H]1CN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCO1 ZINC000739615785 599967607 /nfs/dbraw/zinc/96/76/07/599967607.db2.gz NTZCMKUNMYLJCM-UPJWGTAASA-N -1 0 312.366 -0.058 20 0 DBADRM C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000736541059 599968291 /nfs/dbraw/zinc/96/82/91/599968291.db2.gz OYYINXRJCZCZMH-CMPLNLGQSA-N -1 0 322.365 0.000 20 0 DBADRM NC(=O)c1ccccc1NC(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000315352629 599971286 /nfs/dbraw/zinc/97/12/86/599971286.db2.gz PBLQNHSRCBAMKX-LLVKDONJSA-N -1 0 307.306 -0.491 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000737576719 599975272 /nfs/dbraw/zinc/97/52/72/599975272.db2.gz VAMBIJFVRROZHS-QWRGUYRKSA-N -1 0 316.354 -0.524 20 0 DBADRM COc1ccc(C(=O)NC(=O)CN2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000737922084 599975293 /nfs/dbraw/zinc/97/52/93/599975293.db2.gz HMEMRQSRZXWVEP-LBPRGKRZSA-N -1 0 322.317 -0.263 20 0 DBADRM CNC(=O)c1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000737546903 599976651 /nfs/dbraw/zinc/97/66/51/599976651.db2.gz MVTSHQOPIIJLKU-LBPRGKRZSA-N -1 0 305.334 -0.179 20 0 DBADRM O=C(CN1CCO[C@@H](C(=O)[O-])C1)NCc1ccc2c(c1)OCO2 ZINC000738464267 599977003 /nfs/dbraw/zinc/97/70/03/599977003.db2.gz IPOSNKZZDMQUTR-CYBMUJFWSA-N -1 0 322.317 -0.183 20 0 DBADRM O=C([O-])[C@@H]1CN(CC(=O)N2CC(=O)Nc3ccccc32)CCO1 ZINC000738719746 599977846 /nfs/dbraw/zinc/97/78/46/599977846.db2.gz JZLCBVNZZYYVOV-LBPRGKRZSA-N -1 0 319.317 -0.243 20 0 DBADRM C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCO[C@H](C(=O)[O-])C1 ZINC000736214435 599978137 /nfs/dbraw/zinc/97/81/37/599978137.db2.gz GTESHJTYLJOFRJ-CABZTGNLSA-N -1 0 321.333 -0.102 20 0 DBADRM O=C([O-])c1ccc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)nc1 ZINC000740303921 599987519 /nfs/dbraw/zinc/98/75/19/599987519.db2.gz OESLCLSCUMYGED-JTQLQIEISA-N -1 0 303.274 -0.201 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CNC(=O)c2ccc(F)cc2)CCO1 ZINC000738487714 599990779 /nfs/dbraw/zinc/99/07/79/599990779.db2.gz WLCQKFYYYHKYLD-NSHDSACASA-N -1 0 310.281 -0.133 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cncc(F)c1 ZINC000737577148 599994772 /nfs/dbraw/zinc/99/47/72/599994772.db2.gz VDLFFZHKIOIZIN-MRVPVSSYSA-N -1 0 306.271 -0.485 20 0 DBADRM CNC(=O)c1ccc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])cn1 ZINC000737544254 600002800 /nfs/dbraw/zinc/00/28/00/600002800.db2.gz CBRIOTUVAKRZOA-SSDOTTSWSA-N -1 0 309.278 -0.813 20 0 DBADRM NC(=O)COc1cccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000738439986 600006975 /nfs/dbraw/zinc/00/69/75/600006975.db2.gz KBPQDGVWQNXQGD-NSHDSACASA-N -1 0 323.305 -0.132 20 0 DBADRM CS(=O)(=O)NCCNC(=S)NCCCCCC(=O)[O-] ZINC000738165410 600007324 /nfs/dbraw/zinc/00/73/24/600007324.db2.gz SLCWCTNFEMQQBV-UHFFFAOYSA-N -1 0 311.429 -0.355 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000737608370 600008515 /nfs/dbraw/zinc/00/85/15/600008515.db2.gz DPJFQEKKPXUXIC-UHFFFAOYSA-N -1 0 321.289 -0.021 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000737602929 600008716 /nfs/dbraw/zinc/00/87/16/600008716.db2.gz BIMVBSFXKZUUJC-SECBINFHSA-N -1 0 314.338 -0.280 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cn1c(C)c(C)sc1=O ZINC000737610615 600009058 /nfs/dbraw/zinc/00/90/58/600009058.db2.gz LBSNQWPNNFMZAU-UHFFFAOYSA-N -1 0 316.335 -0.387 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)OC[C@@H]1CCCO1 ZINC000737604973 600009625 /nfs/dbraw/zinc/00/96/25/600009625.db2.gz MASMCWGFZCVUAC-ZJUUUORDSA-N -1 0 303.311 -0.343 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cnc2n[nH]c(C)c2c1 ZINC000737612439 600010579 /nfs/dbraw/zinc/01/05/79/600010579.db2.gz JKKUQQUBMPBUIX-UHFFFAOYSA-N -1 0 306.278 -0.034 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cc1nnnn1Cc1ccccc1 ZINC000737617638 600013155 /nfs/dbraw/zinc/01/31/55/600013155.db2.gz ILRGZRVDVLMNSY-UHFFFAOYSA-N -1 0 319.321 -0.219 20 0 DBADRM C[C@@H](CC(=O)OCC(=O)NCC(=O)[O-])NC(=O)C1CCCC1 ZINC000736556699 600038205 /nfs/dbraw/zinc/03/82/05/600038205.db2.gz OPPYTYVUNGALBQ-VIFPVBQESA-N -1 0 314.338 -0.185 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000740306967 600071366 /nfs/dbraw/zinc/07/13/66/600071366.db2.gz KGOWEWUNYGDLNK-ZJUUUORDSA-N -1 0 304.306 -0.323 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000736887134 600108583 /nfs/dbraw/zinc/10/85/83/600108583.db2.gz PCBDJRYEAKDGNA-SDDRHHMPSA-N -1 0 311.382 -0.234 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000736887136 600108621 /nfs/dbraw/zinc/10/86/21/600108621.db2.gz PCBDJRYEAKDGNA-SRVKXCTJSA-N -1 0 311.382 -0.234 20 0 DBADRM O=Cc1ccc(OCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000740318416 600109784 /nfs/dbraw/zinc/10/97/84/600109784.db2.gz JFVLASBYEKYTAI-LBPRGKRZSA-N -1 0 320.301 -0.320 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC000037834970 600110202 /nfs/dbraw/zinc/11/02/02/600110202.db2.gz JDCVHLSFEBZKLT-AEJSXWLSSA-N -1 0 304.368 -0.505 20 0 DBADRM CN1CCN(C(=O)C2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)CC1 ZINC000737514913 600110325 /nfs/dbraw/zinc/11/03/25/600110325.db2.gz DJJAVYSAJLBECB-STQMWFEESA-N -1 0 323.393 -0.280 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000252363051 600112454 /nfs/dbraw/zinc/11/24/54/600112454.db2.gz HQOAHKOUVCQMCR-LPEHRKFASA-N -1 0 304.368 -0.363 20 0 DBADRM CN(C1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1)S(C)(=O)=O ZINC000262629955 600115156 /nfs/dbraw/zinc/11/51/56/600115156.db2.gz OCWJQWYFYZBAMT-ZJUUUORDSA-N -1 0 304.368 -0.411 20 0 DBADRM NC(=O)c1cccnc1N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000739184152 600116857 /nfs/dbraw/zinc/11/68/57/600116857.db2.gz MZTCYNJDNJETIR-WDEREUQCSA-N -1 0 318.333 -0.450 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)C1(O)CCOCC1)C(=O)[O-] ZINC000736413013 600119402 /nfs/dbraw/zinc/11/94/02/600119402.db2.gz BDZDXZDAZMTGDY-JTQLQIEISA-N -1 0 317.338 -0.313 20 0 DBADRM CS(=O)(=O)NCCN1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000738164743 600127198 /nfs/dbraw/zinc/12/71/98/600127198.db2.gz DVHVGDMQCSECFJ-NSHDSACASA-N -1 0 300.336 -0.112 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1C(N)=O ZINC000738406620 600127475 /nfs/dbraw/zinc/12/74/75/600127475.db2.gz KADNBTFBHHKRLF-VIFPVBQESA-N -1 0 319.317 -0.034 20 0 DBADRM Cn1cccc1C(=O)CN(CCN1CCOCC1)CC(=O)[O-] ZINC000739042918 600147199 /nfs/dbraw/zinc/14/71/99/600147199.db2.gz LAOUABYALUIOLY-UHFFFAOYSA-N -1 0 309.366 -0.073 20 0 DBADRM NC(=O)c1ccc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nc1 ZINC000739176624 600159446 /nfs/dbraw/zinc/15/94/46/600159446.db2.gz ISYIFXJLBQEWLO-WDEREUQCSA-N -1 0 318.333 -0.450 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCN(C(=O)c2ccco2)CC1 ZINC000737401727 600159622 /nfs/dbraw/zinc/15/96/22/600159622.db2.gz SPBYOFTXJUYTRO-UHFFFAOYSA-N -1 0 323.349 -0.030 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000736263223 600167039 /nfs/dbraw/zinc/16/70/39/600167039.db2.gz RIEVSJDRXGRMCD-SFYZADRCSA-N -1 0 300.311 -0.719 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)CCSCC(=O)[O-])C1 ZINC000739193514 600170941 /nfs/dbraw/zinc/17/09/41/600170941.db2.gz RKOSPFWNZBTLFW-SECBINFHSA-N -1 0 324.424 -0.279 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)C[C@H]1CCCO1 ZINC000739785583 600172443 /nfs/dbraw/zinc/17/24/43/600172443.db2.gz PRDWVCSTCXLXKJ-GFCCVEGCSA-N -1 0 300.355 -0.199 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CCCn1cccn1 ZINC000739785630 600173470 /nfs/dbraw/zinc/17/34/70/600173470.db2.gz QKXXTMYUZILZKV-UHFFFAOYSA-N -1 0 324.381 -0.091 20 0 DBADRM C[C@H](OC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)N1CCC(C(N)=O)CC1 ZINC000736684012 600177498 /nfs/dbraw/zinc/17/74/98/600177498.db2.gz KCKZBANPTZJNOU-UJNFCWOMSA-N -1 0 312.322 -0.637 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)C2(C(=O)NC3CC3)CCC2)n[nH]1 ZINC000739900463 600179718 /nfs/dbraw/zinc/17/97/18/600179718.db2.gz LEOZLORQUFXXEV-UHFFFAOYSA-N -1 0 307.310 -0.181 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCOC[C@@H]2CCCO2)CCO1 ZINC000738546901 600190228 /nfs/dbraw/zinc/19/02/28/600190228.db2.gz SPXIJKRCWXLZOE-WDEREUQCSA-N -1 0 302.327 -0.323 20 0 DBADRM C[C@H](CC(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000699096039 600193012 /nfs/dbraw/zinc/19/30/12/600193012.db2.gz IGMREACBFJTIDR-MRVPVSSYSA-N -1 0 301.386 -0.454 20 0 DBADRM CC1(C)NC(=O)N(CCCOC(=O)CCNC(=O)[O-])C1=O ZINC000736738741 600200396 /nfs/dbraw/zinc/20/03/96/600200396.db2.gz WVMSDRNIFNABGT-UHFFFAOYSA-N -1 0 301.299 -0.092 20 0 DBADRM NC(=O)CNC(=O)c1cccc(OC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000739162602 600203487 /nfs/dbraw/zinc/20/34/87/600203487.db2.gz CMBONAAEYFYWBL-ZJUUUORDSA-N -1 0 306.274 -0.472 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)COC(=O)CCNC(=O)[O-] ZINC000737749913 600203837 /nfs/dbraw/zinc/20/38/37/600203837.db2.gz XNCDPTQEGIWHBV-ZETCQYMHSA-N -1 0 305.287 -0.952 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC[C@H]1C(=O)NCc1ccco1 ZINC000739809643 600220092 /nfs/dbraw/zinc/22/00/92/600220092.db2.gz ZAZYAIBCOLNZRI-NSHDSACASA-N -1 0 309.322 -0.439 20 0 DBADRM COc1cccc(CNC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000318442031 600230198 /nfs/dbraw/zinc/23/01/98/600230198.db2.gz OCPPOJSEWMDCEQ-YPMHNXCESA-N -1 0 308.334 -0.169 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)NCCSCC(=O)[O-] ZINC000737221369 600237057 /nfs/dbraw/zinc/23/70/57/600237057.db2.gz XSHGRQILDQQRAM-QMMMGPOBSA-N -1 0 312.413 -0.073 20 0 DBADRM O=C([O-])CC1CCN(C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000738564167 600238037 /nfs/dbraw/zinc/23/80/37/600238037.db2.gz YTKCWSDUIORCQG-UHFFFAOYSA-N -1 0 312.326 -0.566 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)CCCC(=O)[O-] ZINC000736746649 600241291 /nfs/dbraw/zinc/24/12/91/600241291.db2.gz KMNASIRACANADT-BDAKNGLRSA-N -1 0 313.397 -0.312 20 0 DBADRM CN(CCCC(=O)O[C@@H]1CC(=O)N(CC(N)=O)C1)C(=O)[O-] ZINC000737433810 600243380 /nfs/dbraw/zinc/24/33/80/600243380.db2.gz YTTWLMOVMRPPJN-MRVPVSSYSA-N -1 0 301.299 -0.994 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CSCN1C(C)=O ZINC000737567500 600244808 /nfs/dbraw/zinc/24/48/08/600244808.db2.gz QHGJUJWEZZTHKL-SFYZADRCSA-N -1 0 304.324 -0.960 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H]1CSCN1C(C)=O ZINC000737567499 600244848 /nfs/dbraw/zinc/24/48/48/600244848.db2.gz QHGJUJWEZZTHKL-JGVFFNPUSA-N -1 0 304.324 -0.960 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)OC[C@H]1CCCO1 ZINC000737566114 600245698 /nfs/dbraw/zinc/24/56/98/600245698.db2.gz KZQCFSJEUGJSGV-AEJSXWLSSA-N -1 0 303.311 -0.297 20 0 DBADRM CNC(=O)c1cccc(CN2C(=O)N[C@H](CC(=O)[O-])C2=O)c1 ZINC000737550415 600247751 /nfs/dbraw/zinc/24/77/51/600247751.db2.gz HRTPTLHQQCXZBN-SNVBAGLBSA-N -1 0 305.290 -0.059 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=S)NCCCC(=O)[O-])C1 ZINC000738158079 600248276 /nfs/dbraw/zinc/24/82/76/600248276.db2.gz QBXUYRAEYLUMNN-QMMMGPOBSA-N -1 0 309.413 -0.651 20 0 DBADRM Cn1cc(C(=O)NC2(C(=O)[O-])CCCCCC2)c(=O)n(C)c1=O ZINC000739027905 600250056 /nfs/dbraw/zinc/25/00/56/600250056.db2.gz ZRFTVPVLHATQGL-UHFFFAOYSA-N -1 0 323.349 -0.009 20 0 DBADRM COC(=O)C[C@H](NC(=O)CCCn1ccccc1=O)C(=O)[O-] ZINC000737595193 600254765 /nfs/dbraw/zinc/25/47/65/600254765.db2.gz AVTRYZAIACDXQZ-JTQLQIEISA-N -1 0 310.306 -0.239 20 0 DBADRM Cc1cc(NC(=O)CN2CCS(=O)(=O)CC2)c(C(=O)[O-])[nH]1 ZINC000738430593 600256905 /nfs/dbraw/zinc/25/69/05/600256905.db2.gz XWGMWCOHVGTFDM-UHFFFAOYSA-N -1 0 315.351 -0.310 20 0 DBADRM Cn1cc(C(=O)Nc2cc(C(=O)[O-])ccn2)c(=O)n(C)c1=O ZINC000739023171 600258380 /nfs/dbraw/zinc/25/83/80/600258380.db2.gz PXQMPVQMHCITSW-UHFFFAOYSA-N -1 0 304.262 -0.571 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736846021 600265674 /nfs/dbraw/zinc/26/56/74/600265674.db2.gz ATSRAJBSFUZFRE-NSHDSACASA-N -1 0 315.370 -0.854 20 0 DBADRM O=C([O-])CSCCNC(=O)NC[C@H](O)C1CCOCC1 ZINC000739859599 600267617 /nfs/dbraw/zinc/26/76/17/600267617.db2.gz AQPDQEKHSYFDEY-JTQLQIEISA-N -1 0 306.384 -0.109 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC000736672517 600268722 /nfs/dbraw/zinc/26/87/22/600268722.db2.gz QGROOOYUTZNKCC-YFKPBYRVSA-N -1 0 322.368 -0.569 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737121837 600298909 /nfs/dbraw/zinc/29/89/09/600298909.db2.gz QQPYFRDAQRQEIT-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CNC(=O)c1cccs1 ZINC000737606248 600304913 /nfs/dbraw/zinc/30/49/13/600304913.db2.gz VBXKEBBHOPUHKS-UHFFFAOYSA-N -1 0 314.319 -0.436 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000739160912 600321436 /nfs/dbraw/zinc/32/14/36/600321436.db2.gz RGSCKGLLWFYUFN-ZETCQYMHSA-N -1 0 323.280 -0.204 20 0 DBADRM O=C([O-])NCc1ccc(NC(=O)CN2CC(=O)NC2=O)cc1 ZINC000739987655 600331951 /nfs/dbraw/zinc/33/19/51/600331951.db2.gz DBTLHLSLDHBLPD-UHFFFAOYSA-N -1 0 306.278 -0.056 20 0 DBADRM COCCOc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cn1 ZINC000737827990 600334147 /nfs/dbraw/zinc/33/41/47/600334147.db2.gz CINWCCITGBLUFU-UHFFFAOYSA-N -1 0 311.294 -0.364 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000739672718 600337784 /nfs/dbraw/zinc/33/77/84/600337784.db2.gz MGNAXPVYKWBRSA-UHFFFAOYSA-N -1 0 318.293 -0.418 20 0 DBADRM CS(=O)(=O)CCNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405403098 600338420 /nfs/dbraw/zinc/33/84/20/600338420.db2.gz SMALRYOBRJGZNE-SECBINFHSA-N -1 0 304.368 -0.073 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)CC(=O)NC(C)C)c1C(=O)[O-] ZINC000070197605 600338904 /nfs/dbraw/zinc/33/89/04/600338904.db2.gz ZYIDEEGLXTVHRC-UHFFFAOYSA-N -1 0 318.355 -0.439 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1cc(C(N)=O)ccc1F)C(=O)[O-] ZINC000736587084 600342959 /nfs/dbraw/zinc/34/29/59/600342959.db2.gz UTYRZQGLHXIUOD-ZCFIWIBFSA-N -1 0 311.269 -0.300 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)NCCn2cncn2)ccc1F ZINC000739432832 600348410 /nfs/dbraw/zinc/34/84/10/600348410.db2.gz UQPWPTRTBVKRBN-UHFFFAOYSA-N -1 0 321.268 -0.130 20 0 DBADRM Cc1cc(N(C)CCN2CCOCC2)n2nc(C(=O)[O-])nc2n1 ZINC000738401772 600363617 /nfs/dbraw/zinc/36/36/17/600363617.db2.gz HXPNYIAKHFQWJR-UHFFFAOYSA-N -1 0 320.353 -0.101 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CNC(=O)c1ccccc1C ZINC000737604139 600366505 /nfs/dbraw/zinc/36/65/05/600366505.db2.gz BHJIJPCTIFUHNX-UHFFFAOYSA-N -1 0 322.317 -0.189 20 0 DBADRM O=C([O-])c1cccn2cc(COC(=O)[C@@H]3CNC(=O)N3)nc12 ZINC000740315920 600369591 /nfs/dbraw/zinc/36/95/91/600369591.db2.gz JARPYSAWQAKMIC-VIFPVBQESA-N -1 0 304.262 -0.243 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC000330363075 600385327 /nfs/dbraw/zinc/38/53/27/600385327.db2.gz PBGKYRAYADQVFZ-UHFFFAOYSA-N -1 0 322.321 -0.567 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC000261656101 600413258 /nfs/dbraw/zinc/41/32/58/600413258.db2.gz IMWMMOUDLVZSBX-QMMMGPOBSA-N -1 0 321.376 -0.017 20 0 DBADRM CC(C)(CNC(=O)[C@H]1C[C@H]1C(=O)[O-])N1CCS(=O)CC1 ZINC000736320212 600418819 /nfs/dbraw/zinc/41/88/19/600418819.db2.gz LRWWEBLQHUKAGX-VHSXEESVSA-N -1 0 302.396 -0.334 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2cc(C(=O)[O-])ccn2)c1=O ZINC000316137350 600428444 /nfs/dbraw/zinc/42/84/44/600428444.db2.gz FUVRUEVPGJLRKP-UHFFFAOYSA-N -1 0 304.262 -0.721 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCS(=O)(=O)[C@@H](C)C1)C(=O)[O-] ZINC000736414558 600433411 /nfs/dbraw/zinc/43/34/11/600433411.db2.gz ZAAQNRUWPVMHMQ-QWRGUYRKSA-N -1 0 320.411 -0.279 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCS(=O)(=O)[C@H](C)C1)C(=O)[O-] ZINC000736889091 600433805 /nfs/dbraw/zinc/43/38/05/600433805.db2.gz WVDFSTAOXRPSJB-UMNHJUIQSA-N -1 0 320.411 -0.279 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)[C@@H]1CCN(C)C1=O ZINC000736200867 600437865 /nfs/dbraw/zinc/43/78/65/600437865.db2.gz RQEKDOROCDMESV-CMPLNLGQSA-N -1 0 311.382 -0.139 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CCS1(=O)=O ZINC000707474921 600447969 /nfs/dbraw/zinc/44/79/69/600447969.db2.gz QXILKKDLTGLBKE-SSDOTTSWSA-N -1 0 323.348 -0.215 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCC1=O ZINC000084088318 600450491 /nfs/dbraw/zinc/45/04/91/600450491.db2.gz WLMGHHSOJONVKI-JTQLQIEISA-N -1 0 319.383 -0.762 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000736607027 600463358 /nfs/dbraw/zinc/46/33/58/600463358.db2.gz LOHCNYGRCBQNKL-JTQLQIEISA-N -1 0 320.411 -0.326 20 0 DBADRM COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000737754281 600472065 /nfs/dbraw/zinc/47/20/65/600472065.db2.gz SCBWCSNMXGLLDL-JTQLQIEISA-N -1 0 310.306 -0.245 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(Cn2cnc(C(=O)[O-])n2)o1 ZINC000737376247 600474735 /nfs/dbraw/zinc/47/47/35/600474735.db2.gz PYLCTGARMQDKRW-UHFFFAOYSA-N -1 0 300.296 -0.132 20 0 DBADRM O=C([O-])c1ncn(CCN2C(=O)c3ccccc3S2(=O)=O)n1 ZINC000740282996 600475878 /nfs/dbraw/zinc/47/58/78/600475878.db2.gz ABHQORBGTFSKAU-UHFFFAOYSA-N -1 0 322.302 -0.179 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NCc2ccc(C(=O)[O-])o2)C1=O ZINC000316571474 600479075 /nfs/dbraw/zinc/47/90/75/600479075.db2.gz LCISJWDHCIFRID-UHFFFAOYSA-N -1 0 309.278 -0.076 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000231020482 600495591 /nfs/dbraw/zinc/49/55/91/600495591.db2.gz HOTYICPNCWBXJG-VIFPVBQESA-N -1 0 307.372 -0.568 20 0 DBADRM COC(=O)CCN1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000133023131 600496192 /nfs/dbraw/zinc/49/61/92/600496192.db2.gz IDAASLKHHQGPAN-UHFFFAOYSA-N -1 0 322.383 -0.638 20 0 DBADRM COCCN1CCC[C@@H](NS(=O)(=O)CCCC(=O)[O-])C1 ZINC000399539841 600498549 /nfs/dbraw/zinc/49/85/49/600498549.db2.gz YEBIQWQAWIFGTM-LLVKDONJSA-N -1 0 308.400 -0.119 20 0 DBADRM COCCN1CCC[C@H](NS(=O)(=O)CCCC(=O)[O-])C1 ZINC000399539844 600498641 /nfs/dbraw/zinc/49/86/41/600498641.db2.gz YEBIQWQAWIFGTM-NSHDSACASA-N -1 0 308.400 -0.119 20 0 DBADRM C[C@H](NS(=O)(=O)CCCC(=O)[O-])[C@H](C)N1CCOCC1 ZINC000736665817 600498652 /nfs/dbraw/zinc/49/86/52/600498652.db2.gz ZJAQNRSOGGVBNZ-QWRGUYRKSA-N -1 0 308.400 -0.120 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000738584450 600499437 /nfs/dbraw/zinc/49/94/37/600499437.db2.gz GRGHJDZFLBCGKI-NSHDSACASA-N -1 0 317.367 -0.222 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)CN1CCCNC1=O ZINC000532003107 600501752 /nfs/dbraw/zinc/50/17/52/600501752.db2.gz FOSRKFBIVBXGTQ-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1=O ZINC000737514331 600509488 /nfs/dbraw/zinc/50/94/88/600509488.db2.gz GGQHBZRKBBRUMW-SNVBAGLBSA-N -1 0 323.280 -0.191 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccnc(N2CCCC2)n1 ZINC000737613581 600526671 /nfs/dbraw/zinc/52/66/71/600526671.db2.gz UBCSTCAGIURJOI-UHFFFAOYSA-N -1 0 322.321 -0.223 20 0 DBADRM Cn1nnnc1SCCC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000739061786 600526874 /nfs/dbraw/zinc/52/68/74/600526874.db2.gz AJKLWNUGFVXFJB-UHFFFAOYSA-N -1 0 311.327 -0.388 20 0 DBADRM CC(C)(C)[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000736243040 600532070 /nfs/dbraw/zinc/53/20/70/600532070.db2.gz RBQRDVSLMKVDTP-SNVBAGLBSA-N -1 0 306.384 -0.668 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)c2ccc(-n3cnnn3)cc2)n[nH]1 ZINC000739909302 600536908 /nfs/dbraw/zinc/53/69/08/600536908.db2.gz FYUZCSOGNYFILP-UHFFFAOYSA-N -1 0 314.265 -0.340 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)c2sccc2-n2cnnn2)n[nH]1 ZINC000739899553 600537353 /nfs/dbraw/zinc/53/73/53/600537353.db2.gz RBPQEZUXIQEBSH-UHFFFAOYSA-N -1 0 320.294 -0.279 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)C[C@H]1CCOC1 ZINC000739784352 600549408 /nfs/dbraw/zinc/54/94/08/600549408.db2.gz AWYKPDOGPCVAQX-GFCCVEGCSA-N -1 0 300.355 -0.342 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)cc2C(=O)[O-])C1=O ZINC000737510383 600552990 /nfs/dbraw/zinc/55/29/90/600552990.db2.gz XDYCTFOBZOJLAL-UHFFFAOYSA-N -1 0 323.236 -0.117 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCC(C(=O)[O-])CC1 ZINC000390366745 600560561 /nfs/dbraw/zinc/56/05/61/600560561.db2.gz SWCYNPPJFJKVSK-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(S(C)(=O)=O)o1 ZINC000737572444 600568155 /nfs/dbraw/zinc/56/81/55/600568155.db2.gz CAERGNMQROVURY-ZCFIWIBFSA-N -1 0 319.291 -0.571 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)N(CCOC)CC(=O)[O-])C1=O ZINC000314786076 600588092 /nfs/dbraw/zinc/58/80/92/600588092.db2.gz BVEOITUNZXQJFZ-CYBMUJFWSA-N -1 0 315.326 -0.734 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1)C(=O)[O-] ZINC000262402960 600607656 /nfs/dbraw/zinc/60/76/56/600607656.db2.gz BEYAJLFTSFPTEP-XRNSZHNASA-N -1 0 308.338 -0.081 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)CCC(=O)N(C)CC(=O)[O-] ZINC000737221696 600614745 /nfs/dbraw/zinc/61/47/45/600614745.db2.gz DJVQEVUUUBOPHW-JTQLQIEISA-N -1 0 308.400 -0.326 20 0 DBADRM CN(CC(=O)Nc1nnc(CCC(=O)[O-])s1)S(C)(=O)=O ZINC000737399864 600625991 /nfs/dbraw/zinc/62/59/91/600625991.db2.gz RMKAEISNVJEOQD-UHFFFAOYSA-N -1 0 322.368 -0.615 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1COc2ccccc21 ZINC000387090644 600630137 /nfs/dbraw/zinc/63/01/37/600630137.db2.gz ROCIGKLALDPNKZ-GHMZBOCLSA-N -1 0 304.302 -0.036 20 0 DBADRM CNC(=O)CNC(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000737540302 600631322 /nfs/dbraw/zinc/63/13/22/600631322.db2.gz MNWWUGQBRUQVTO-UHFFFAOYSA-N -1 0 301.328 -0.187 20 0 DBADRM NC(=O)CCNC(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000739157673 600633844 /nfs/dbraw/zinc/63/38/44/600633844.db2.gz PXLZNGALAODQGQ-UHFFFAOYSA-N -1 0 301.328 -0.058 20 0 DBADRM O=C([O-])c1n[nH]c2ccc(NC(=O)CN3CC(=O)NC3=O)cc21 ZINC000740306375 600638793 /nfs/dbraw/zinc/63/87/93/600638793.db2.gz DDFUGYPMRZHYAE-UHFFFAOYSA-N -1 0 317.261 -0.249 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(CCC(=O)NCC(=O)[O-])C1CC1 ZINC000736607860 600642568 /nfs/dbraw/zinc/64/25/68/600642568.db2.gz YXYVZGOFPYWBCQ-SECBINFHSA-N -1 0 306.384 -0.525 20 0 DBADRM CN(C)C(=O)CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000035296079 600645934 /nfs/dbraw/zinc/64/59/34/600645934.db2.gz XWOYBPJBSAHOFS-UHFFFAOYSA-N -1 0 300.336 -0.320 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)N(C)[C@H](C)C1CC1 ZINC000737573027 600647373 /nfs/dbraw/zinc/64/73/73/600647373.db2.gz IIWWWYATCBZKGV-APPZFPTMSA-N -1 0 308.356 -0.433 20 0 DBADRM Cn1cc(NC(=O)CCSCC(=O)[O-])c(=O)n(C)c1=O ZINC000739037970 600675478 /nfs/dbraw/zinc/67/54/78/600675478.db2.gz WVRXAYVAUMAHMG-UHFFFAOYSA-N -1 0 301.324 -0.770 20 0 DBADRM COC(=O)N[C@@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])C(C)C ZINC000831204332 600675870 /nfs/dbraw/zinc/67/58/70/600675870.db2.gz RAQLKPBUJREMNX-IONNQARKSA-N -1 0 304.299 -0.501 20 0 DBADRM O=S(=O)([N-]c1n[nH]cc1-c1nn[nH]n1)c1cncc(F)c1 ZINC000826492410 607462882 /nfs/dbraw/zinc/46/28/82/607462882.db2.gz IYUUVRQNKCGYQA-UHFFFAOYSA-N -1 0 310.274 -0.075 20 0 DBADRM Cn1cc(N2C(=O)C[C@@H](N3CCC[C@H](C(=O)[O-])C3)C2=O)cn1 ZINC000738404754 600684797 /nfs/dbraw/zinc/68/47/97/600684797.db2.gz CADSORNVLISBIU-GXSJLCMTSA-N -1 0 306.322 -0.151 20 0 DBADRM O=C([O-])COC(=O)c1ccc(S(=O)(=O)NCCO)s1 ZINC000819532294 600687055 /nfs/dbraw/zinc/68/70/55/600687055.db2.gz FGZNPFQJLYMYSZ-UHFFFAOYSA-N -1 0 309.321 -0.740 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)CN1CCCNC1=O ZINC000532004897 600697341 /nfs/dbraw/zinc/69/73/41/600697341.db2.gz ZOGKQGADCMJLIJ-VIFPVBQESA-N -1 0 301.368 -0.180 20 0 DBADRM COCCN1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000831743736 600698330 /nfs/dbraw/zinc/69/83/30/600698330.db2.gz DJPDFMQQMJWRMT-UHFFFAOYSA-N -1 0 317.367 -0.334 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)[C@H]1CCCO1 ZINC000035734755 600704857 /nfs/dbraw/zinc/70/48/57/600704857.db2.gz MWSDJVANXWEVIG-PSASIEDQSA-N -1 0 303.340 -0.187 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)[C@H]1CCCO1 ZINC000035734754 600704871 /nfs/dbraw/zinc/70/48/71/600704871.db2.gz MWSDJVANXWEVIG-WCBMZHEXSA-N -1 0 303.340 -0.187 20 0 DBADRM CNC(=O)c1cccc(C(=O)OCC(=O)NCCC(=O)[O-])c1 ZINC000831015882 600706226 /nfs/dbraw/zinc/70/62/26/600706226.db2.gz MIPXVCOJJHJARP-UHFFFAOYSA-N -1 0 308.290 -0.206 20 0 DBADRM COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000037838613 600709922 /nfs/dbraw/zinc/70/99/22/600709922.db2.gz IZJPCVBCHUISKF-QMMMGPOBSA-N -1 0 319.339 -0.603 20 0 DBADRM CN1CCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)CC1=O ZINC000737525257 600715297 /nfs/dbraw/zinc/71/52/97/600715297.db2.gz DNDBUSRXJFENEL-LBPRGKRZSA-N -1 0 308.334 -0.102 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC000261612865 600716297 /nfs/dbraw/zinc/71/62/97/600716297.db2.gz AJYFVFNXLWIHAL-QMMMGPOBSA-N -1 0 317.323 -0.849 20 0 DBADRM COC(=O)N1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000038100515 600717589 /nfs/dbraw/zinc/71/75/89/600717589.db2.gz ABIMCKUBOTWCOY-UHFFFAOYSA-N -1 0 317.323 -0.214 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cn(Cc2cccs2)nn1 ZINC000821532828 600720020 /nfs/dbraw/zinc/72/00/20/600720020.db2.gz UDYXMPRHMRXRON-UHFFFAOYSA-N -1 0 324.318 -0.255 20 0 DBADRM CCN1CCC[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000040503076 600720077 /nfs/dbraw/zinc/72/00/77/600720077.db2.gz CMLKAXLFDGVTGZ-SNVBAGLBSA-N -1 0 316.383 -0.270 20 0 DBADRM CN1CCC[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000040673302 600720551 /nfs/dbraw/zinc/72/05/51/600720551.db2.gz ADSMIUBXIUXLOX-SECBINFHSA-N -1 0 302.356 -0.660 20 0 DBADRM CN1CCN(S(=O)(=O)c2ccsc2C(=O)[O-])CC1=O ZINC000084199503 600723681 /nfs/dbraw/zinc/72/36/81/600723681.db2.gz SQBAVLISWGVFDZ-UHFFFAOYSA-N -1 0 304.349 -0.091 20 0 DBADRM CC[C@@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])N1CCCC1=O ZINC000828603338 600736580 /nfs/dbraw/zinc/73/65/80/600736580.db2.gz IGZAZMBNVGYHKR-IUCAKERBSA-N -1 0 300.311 -0.480 20 0 DBADRM CC[C@H](C(=O)O[C@H](C)C(=O)NCC(=O)[O-])N1CCCC1=O ZINC000828603339 600736699 /nfs/dbraw/zinc/73/66/99/600736699.db2.gz IGZAZMBNVGYHKR-RKDXNWHRSA-N -1 0 300.311 -0.480 20 0 DBADRM CC[C@H](C(=O)OCC(=O)NCCC(=O)[O-])N1CCCC1=O ZINC000828603084 600736739 /nfs/dbraw/zinc/73/67/39/600736739.db2.gz BLXGCTKLYHWODF-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000826727384 600737200 /nfs/dbraw/zinc/73/72/00/600737200.db2.gz NMMWWHHBLZDLCF-JTQLQIEISA-N -1 0 315.351 -0.142 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])cn1 ZINC000831192925 600738243 /nfs/dbraw/zinc/73/82/43/600738243.db2.gz WAHZGZHFDADOKF-UHFFFAOYSA-N -1 0 319.339 -0.460 20 0 DBADRM COC(=O)C(C)(C)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831053903 600738529 /nfs/dbraw/zinc/73/85/29/600738529.db2.gz WNDPMYRNWQOLMK-UHFFFAOYSA-N -1 0 319.339 -0.460 20 0 DBADRM CC[S@@](=O)CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000132132310 600743713 /nfs/dbraw/zinc/74/37/13/600743713.db2.gz RSXFOOYTYNFAOT-SFHVURJKSA-N -1 0 309.369 -0.985 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCc3cncnc3C2)cn1 ZINC000833273968 600747169 /nfs/dbraw/zinc/74/71/69/600747169.db2.gz ISUFJEGJGQMSMJ-UHFFFAOYSA-N -1 0 323.334 -0.495 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCCC1 ZINC000833082641 600753006 /nfs/dbraw/zinc/75/30/06/600753006.db2.gz PJZUXTYSLMEWEI-UHFFFAOYSA-N -1 0 316.339 -0.956 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCS1(=O)=O ZINC000707472039 600755143 /nfs/dbraw/zinc/75/51/43/600755143.db2.gz BVFYTEWBDICZEW-SSDOTTSWSA-N -1 0 322.364 -0.480 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCC1=O ZINC000084088363 600755470 /nfs/dbraw/zinc/75/54/70/600755470.db2.gz SKYIESKIZUABHL-ZETCQYMHSA-N -1 0 301.324 -0.388 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000228734643 600755552 /nfs/dbraw/zinc/75/55/52/600755552.db2.gz FNMMALWXELAYBD-ZETCQYMHSA-N -1 0 322.364 -0.480 20 0 DBADRM CN(Cc1ccon1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000706740040 600756397 /nfs/dbraw/zinc/75/63/97/600756397.db2.gz XMSUBQJRTBBBGA-UHFFFAOYSA-N -1 0 300.296 -0.224 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)Cn1cnc2c1ncnc2N ZINC000831724766 600765806 /nfs/dbraw/zinc/76/58/06/600765806.db2.gz BAGFRFQFONPGGK-UHFFFAOYSA-N -1 0 322.325 -0.642 20 0 DBADRM CCNC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000035207918 600768702 /nfs/dbraw/zinc/76/87/02/600768702.db2.gz QIMYCRLHWZUGPY-ZETCQYMHSA-N -1 0 303.340 -0.474 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)[C@@H]1CCOC1 ZINC000166011278 600769741 /nfs/dbraw/zinc/76/97/41/600769741.db2.gz DKAJNFAQACVZBA-DTWKUNHWSA-N -1 0 303.340 -0.329 20 0 DBADRM COCCOC[C@H](C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831763345 600770266 /nfs/dbraw/zinc/77/02/66/600770266.db2.gz QARXXXMMVNSROG-VIFPVBQESA-N -1 0 321.355 -0.703 20 0 DBADRM CCOC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000049374527 600773703 /nfs/dbraw/zinc/77/37/03/600773703.db2.gz DTYVXTRELVKCAL-ZETCQYMHSA-N -1 0 304.324 -0.047 20 0 DBADRM CCN(CC(=O)OC)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000042301020 600779289 /nfs/dbraw/zinc/77/92/89/600779289.db2.gz WJUDAYCRPDCOIQ-UHFFFAOYSA-N -1 0 304.324 -0.093 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000827767468 600780300 /nfs/dbraw/zinc/78/03/00/600780300.db2.gz AQIFTGADBFKZDU-MWLCHTKSSA-N -1 0 314.363 -0.091 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000827767466 600780363 /nfs/dbraw/zinc/78/03/63/600780363.db2.gz AQIFTGADBFKZDU-GXSJLCMTSA-N -1 0 314.363 -0.091 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)NCC(=O)[O-])C(=O)C1 ZINC000736280531 600785002 /nfs/dbraw/zinc/78/50/02/600785002.db2.gz ZEMGICKZLVDKKR-UHFFFAOYSA-N -1 0 315.326 -0.734 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)CCCC(=O)[O-])CC1=O ZINC000828200844 600796294 /nfs/dbraw/zinc/79/62/94/600796294.db2.gz JKWHPMNBZFOUSW-UTLUCORTSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)CCCC(=O)[O-])CC1=O ZINC000828200843 600796536 /nfs/dbraw/zinc/79/65/36/600796536.db2.gz JKWHPMNBZFOUSW-OPRDCNLKSA-N -1 0 304.368 -0.220 20 0 DBADRM Cc1cc(N(C)[C@H]2CCN(C)C2=O)n2nc(C(=O)[O-])nc2n1 ZINC000832888843 600804044 /nfs/dbraw/zinc/80/40/44/600804044.db2.gz LOOOBWZSIPBFHZ-QMMMGPOBSA-N -1 0 304.310 -0.202 20 0 DBADRM COC[C@H]1CN(c2cc(C)nc3nc(C(=O)[O-])nn32)CCO1 ZINC000831670894 600816429 /nfs/dbraw/zinc/81/64/29/600816429.db2.gz ACEYCHLSCLAHGO-SECBINFHSA-N -1 0 307.310 -0.017 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](C(=O)[O-])C1 ZINC000825999552 600843089 /nfs/dbraw/zinc/84/30/89/600843089.db2.gz DKUNPWQRLFYUNP-GARJFASQSA-N -1 0 318.395 -0.525 20 0 DBADRM Cc1nsc(N2CCCN(CC(=O)NCC(=O)[O-])CC2)n1 ZINC000821248524 600846579 /nfs/dbraw/zinc/84/65/79/600846579.db2.gz ORUWXUUKLHTPHD-UHFFFAOYSA-N -1 0 313.383 -0.441 20 0 DBADRM C[C@@H](NC(=O)CN(CC(=O)[O-])C1CCOCC1)C(=O)N(C)C ZINC000827630752 600853493 /nfs/dbraw/zinc/85/34/93/600853493.db2.gz SOKXXBGDMYVGLF-SNVBAGLBSA-N -1 0 315.370 -0.855 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)CN(CC(=O)[O-])C1CCOCC1 ZINC000830870034 600855500 /nfs/dbraw/zinc/85/55/00/600855500.db2.gz ZOMDBTJHKVJAEP-UHFFFAOYSA-N -1 0 324.381 -0.056 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000833206439 600859913 /nfs/dbraw/zinc/85/99/13/600859913.db2.gz TYBKGIRTDHSZEY-GZMMTYOYSA-N -1 0 306.322 -0.684 20 0 DBADRM Cn1cc(N2CCC[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2=O)cn1 ZINC000739035774 600870729 /nfs/dbraw/zinc/87/07/29/600870729.db2.gz ZRQXWJDJVVEERA-AXFHLTTASA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1cc(N2CCC[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2=O)cn1 ZINC000739035778 600870842 /nfs/dbraw/zinc/87/08/42/600870842.db2.gz ZRQXWJDJVVEERA-DCAQKATOSA-N -1 0 306.322 -0.248 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCOCCS(C)(=O)=O ZINC000736368015 600871735 /nfs/dbraw/zinc/87/17/35/600871735.db2.gz BUOXEZSWUKXTOQ-SECBINFHSA-N -1 0 310.372 -0.544 20 0 DBADRM COC(=O)C[C@H](NC(=O)CCSc1n[nH]c(C)n1)C(=O)[O-] ZINC000831128247 600876986 /nfs/dbraw/zinc/87/69/86/600876986.db2.gz FFFKWXCJZBDSNG-ZETCQYMHSA-N -1 0 316.339 -0.272 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)CC1SC(=N)NC1=O ZINC000831725114 600885119 /nfs/dbraw/zinc/88/51/19/600885119.db2.gz OIYRADYVMPYDGH-SSDOTTSWSA-N -1 0 303.340 -0.507 20 0 DBADRM O=CNc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000833358219 600887746 /nfs/dbraw/zinc/88/77/46/600887746.db2.gz PFQQYUSVYWDZND-LLVKDONJSA-N -1 0 305.290 -0.330 20 0 DBADRM CC(=O)N[C@@H](CC(=O)Nc1cccc(OCC(=O)[O-])c1)C(N)=O ZINC000737545025 600888267 /nfs/dbraw/zinc/88/82/67/600888267.db2.gz NULMOEKRKHJRSH-NSHDSACASA-N -1 0 323.305 -0.531 20 0 DBADRM CC(=O)N[C@@H](CC(=O)Nc1ccc(OCC(=O)[O-])cc1)C(N)=O ZINC000825879464 600890511 /nfs/dbraw/zinc/89/05/11/600890511.db2.gz UVIUJHWTZXYUBP-NSHDSACASA-N -1 0 323.305 -0.531 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCSC[C@H]2CC(=O)[O-])S1 ZINC000833089576 600892324 /nfs/dbraw/zinc/89/23/24/600892324.db2.gz RSXXUMXBGAJGEY-RQJHMYQMSA-N -1 0 317.392 -0.038 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000736395702 600902516 /nfs/dbraw/zinc/90/25/16/600902516.db2.gz FOKCEVBTSDNPLE-JTQLQIEISA-N -1 0 313.354 -0.660 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCCS1(=O)=O)c1ccccn1 ZINC000833107493 600916157 /nfs/dbraw/zinc/91/61/57/600916157.db2.gz VIDLMUIPAIELBA-NSHDSACASA-N -1 0 313.335 -0.641 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2=O)n(C)n1 ZINC000832889591 600919551 /nfs/dbraw/zinc/91/95/51/600919551.db2.gz RDDKBNRQYLUQPZ-GUBZILKMSA-N -1 0 306.322 -0.329 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)n1C ZINC000833018215 600925352 /nfs/dbraw/zinc/92/53/52/600925352.db2.gz ODRVOPRRQQKLGV-LLVKDONJSA-N -1 0 309.370 -0.121 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000828167091 600937805 /nfs/dbraw/zinc/93/78/05/600937805.db2.gz BSWACMQRKPPXBZ-WKJUBOCMSA-N -1 0 306.322 -0.249 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000833181275 600938138 /nfs/dbraw/zinc/93/81/38/600938138.db2.gz LZFPIQKULGDDLQ-IWSPIJDZSA-N -1 0 313.335 -0.098 20 0 DBADRM COC(=O)c1cc(NC(=O)Cn2cnnn2)ccc1C(=O)[O-] ZINC000831276603 600943896 /nfs/dbraw/zinc/94/38/96/600943896.db2.gz LMYDOEQTGLACMS-UHFFFAOYSA-N -1 0 305.250 -0.203 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)C(N)=O ZINC000825879115 600946848 /nfs/dbraw/zinc/94/68/48/600946848.db2.gz JJFDIKKEHFVPSW-QWRGUYRKSA-N -1 0 319.317 -0.419 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000827767754 600954844 /nfs/dbraw/zinc/95/48/44/600954844.db2.gz JUOCQTDIQRAAAC-ZJUUUORDSA-N -1 0 322.383 -0.594 20 0 DBADRM O=C([O-])c1c(F)ccc(S(=O)(=O)N2CCNC(=O)C2)c1F ZINC000019993722 600990732 /nfs/dbraw/zinc/99/07/32/600990732.db2.gz APUKYSPGEWSWQT-UHFFFAOYSA-N -1 0 320.273 -0.217 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(N)=O ZINC000035794476 600991615 /nfs/dbraw/zinc/99/16/15/600991615.db2.gz JWLYRCRIQLMQOD-SCSAIBSYSA-N -1 0 308.262 -0.185 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC(CC(N)=O)CC1 ZINC000088769715 600993604 /nfs/dbraw/zinc/99/36/04/600993604.db2.gz GOWRGMZXJBAOPC-UHFFFAOYSA-N -1 0 307.372 -0.775 20 0 DBADRM CCC(=O)N1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000088770085 600993673 /nfs/dbraw/zinc/99/36/73/600993673.db2.gz WWUUCQVSHYWLBV-UHFFFAOYSA-N -1 0 321.399 -0.418 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1CC(=O)NC(=O)NC1CC1 ZINC000091131214 601016879 /nfs/dbraw/zinc/01/68/79/601016879.db2.gz WZJAANWVGDUNEG-SECBINFHSA-N -1 0 301.368 -0.133 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCSC[C@H]1CC(=O)[O-] ZINC000829847908 601020514 /nfs/dbraw/zinc/02/05/14/601020514.db2.gz QUXJVDVWTPNAFU-SNVBAGLBSA-N -1 0 318.395 -0.100 20 0 DBADRM CCn1c(N)c(C(=O)CN2CCC[C@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000737296056 601031070 /nfs/dbraw/zinc/03/10/70/601031070.db2.gz UACAJLAFEFNHCI-QMMMGPOBSA-N -1 0 324.337 -0.470 20 0 DBADRM Cn1c2[nH]c(CN3CCC[C@H](C(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000739003658 601033431 /nfs/dbraw/zinc/03/34/31/601033431.db2.gz LOTQQZJVJYGZFD-QMMMGPOBSA-N -1 0 321.337 -0.743 20 0 DBADRM Cc1nsc(N2CCN(CCC(=O)NCC(=O)[O-])CC2)n1 ZINC000833023758 601045671 /nfs/dbraw/zinc/04/56/71/601045671.db2.gz GLPGEGFZEYIQPU-UHFFFAOYSA-N -1 0 313.383 -0.441 20 0 DBADRM C/C(=C\CN1CCN(CC(=O)N2CCOCC2)CC1)C(=O)[O-] ZINC000825742285 601048602 /nfs/dbraw/zinc/04/86/02/601048602.db2.gz XWATWGWPPKXUHT-XNJYKOPJSA-N -1 0 311.382 -0.506 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)n1 ZINC000833276882 601056138 /nfs/dbraw/zinc/05/61/38/601056138.db2.gz XZZBRSJMVHJYBJ-ZETCQYMHSA-N -1 0 302.312 -0.724 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)Nc2ccn(CC(=O)[O-])n2)cn1 ZINC000833043439 601062644 /nfs/dbraw/zinc/06/26/44/601062644.db2.gz RFYKTYKTUNZTNR-SECBINFHSA-N -1 0 308.298 -0.444 20 0 DBADRM CS(=O)(=O)NCCC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000738138747 601078158 /nfs/dbraw/zinc/07/81/58/601078158.db2.gz GRBFKQCKDAPDGY-NSHDSACASA-N -1 0 314.363 -0.090 20 0 DBADRM O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000738457129 601080916 /nfs/dbraw/zinc/08/09/16/601080916.db2.gz LKYBHPQZVOENME-MNOVXSKESA-N -1 0 319.317 -0.041 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCCS(C)(=O)=O)CC1 ZINC000827362687 601085366 /nfs/dbraw/zinc/08/53/66/601085366.db2.gz SGFYCTMCAXAJBO-NSHDSACASA-N -1 0 320.411 -0.181 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000829541478 601085550 /nfs/dbraw/zinc/08/55/50/601085550.db2.gz OSFWGSLROKDLHY-NSHDSACASA-N -1 0 320.411 -0.181 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C(=O)c2cnn(C)c2)CC1 ZINC000827354290 601096979 /nfs/dbraw/zinc/09/69/79/601096979.db2.gz DHWVHRCEXFYDJR-JTQLQIEISA-N -1 0 308.338 -0.390 20 0 DBADRM C[C@@](O)(CC(=O)OCC(=O)NCCC(=O)[O-])C(F)(F)F ZINC000827773543 601097599 /nfs/dbraw/zinc/09/75/99/601097599.db2.gz PNOCPXXGVLVJTE-SECBINFHSA-N -1 0 301.217 -0.176 20 0 DBADRM Cc1nc([C@H]2CN(CCC(=O)N(C)CC(=O)[O-])CCO2)n[nH]1 ZINC000738823854 601105444 /nfs/dbraw/zinc/10/54/44/601105444.db2.gz PMFGULZEKAYAEF-SNVBAGLBSA-N -1 0 311.342 -0.580 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCO[C@H](CNc2cccnn2)C1 ZINC000739735480 601107105 /nfs/dbraw/zinc/10/71/05/601107105.db2.gz XFBDVGWMTKXXQZ-LLVKDONJSA-N -1 0 323.353 -0.820 20 0 DBADRM Cc1nc(CN(C)[C@@H]2CCN(CC(=O)NCC(=O)[O-])C2)no1 ZINC000738854084 601114125 /nfs/dbraw/zinc/11/41/25/601114125.db2.gz DGBFFFYPYHVJDX-SNVBAGLBSA-N -1 0 311.342 -0.915 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)c1nonc1N)C(=O)[O-] ZINC000828727104 601121956 /nfs/dbraw/zinc/12/19/56/601121956.db2.gz AEQRIQCOCVTKIV-FSPLSTOPSA-N -1 0 300.271 -0.576 20 0 DBADRM CN(CC(=O)N[C@H](C(=O)[O-])c1ccccn1)S(C)(=O)=O ZINC000737388934 601124479 /nfs/dbraw/zinc/12/44/79/601124479.db2.gz JVCPATVNFAHZTR-JTQLQIEISA-N -1 0 301.324 -0.785 20 0 DBADRM NC(=O)NC1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000396875254 601129013 /nfs/dbraw/zinc/12/90/13/601129013.db2.gz ICGUZIXBTCZQEJ-UHFFFAOYSA-N -1 0 317.323 -0.201 20 0 DBADRM C[C@H](CNS(=O)(=O)CC1(CC(=O)[O-])CC1)N1CCOCC1 ZINC000827501984 601130704 /nfs/dbraw/zinc/13/07/04/601130704.db2.gz GHJUSTDNRIBDGY-LLVKDONJSA-N -1 0 320.411 -0.119 20 0 DBADRM C[C@@H](CN1CCOCC1)NS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000827461348 601131684 /nfs/dbraw/zinc/13/16/84/601131684.db2.gz URANKUBYRAQXDV-NSHDSACASA-N -1 0 320.411 -0.119 20 0 DBADRM C/C(=C/CN1CCN(C(=O)C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000825741284 601157822 /nfs/dbraw/zinc/15/78/22/601157822.db2.gz LLNDCLKCOUJANY-QCDXTXTGSA-N -1 0 309.366 -0.216 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)cc1C(=O)[O-] ZINC000832939457 601164632 /nfs/dbraw/zinc/16/46/32/601164632.db2.gz QFRHCEMQAFUSNH-SECBINFHSA-N -1 0 319.317 -0.034 20 0 DBADRM COC(=O)CN(C/C=C(\C)C(=O)[O-])CCN1CCOCC1 ZINC000831175417 601166191 /nfs/dbraw/zinc/16/61/91/601166191.db2.gz NIMSEQSIARALIX-KGVSQERTSA-N -1 0 300.355 -0.176 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C)C2=O)cc1C(=O)[O-] ZINC000832939358 601167901 /nfs/dbraw/zinc/16/79/01/601167901.db2.gz FKPWPPLSBJEGKC-NSHDSACASA-N -1 0 319.317 -0.021 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000831129204 601179726 /nfs/dbraw/zinc/17/97/26/601179726.db2.gz TZIWSUDDERABKQ-MRVPVSSYSA-N -1 0 321.351 -0.666 20 0 DBADRM CCNC(=O)NC(=O)CNc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000829799848 601186726 /nfs/dbraw/zinc/18/67/26/601186726.db2.gz VSVPVEQBSQIWLV-UHFFFAOYSA-N -1 0 322.321 -0.241 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000825828252 601190669 /nfs/dbraw/zinc/19/06/69/601190669.db2.gz DTRDEEPTYFZXBO-ISVAXAHUSA-N -1 0 300.311 -0.623 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCC(=O)OCc2ccccc2)nn1 ZINC000833121053 601195156 /nfs/dbraw/zinc/19/51/56/601195156.db2.gz BWSMZAXJSQJEAT-UHFFFAOYSA-N -1 0 318.289 -0.164 20 0 DBADRM CCN(C(=O)Cn1cc(C(=O)[O-])nn1)[C@H]1CCS(=O)(=O)C1 ZINC000050213281 601195903 /nfs/dbraw/zinc/19/59/03/601195903.db2.gz HQVDLABNMMHYIY-QMMMGPOBSA-N -1 0 316.339 -0.988 20 0 DBADRM CCN(C(=O)Cn1cc(C(=O)[O-])nn1)[C@H](C)CS(C)(=O)=O ZINC000829598046 601200308 /nfs/dbraw/zinc/20/03/08/601200308.db2.gz XXFLIIWBTXNHOI-MRVPVSSYSA-N -1 0 318.355 -0.742 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)N(C)C ZINC000013089242 601208200 /nfs/dbraw/zinc/20/82/00/601208200.db2.gz DEYSGJANCYZBII-UHFFFAOYSA-N -1 0 316.335 -0.240 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)NCCCCC(=O)[O-])CC1 ZINC000819901438 601212964 /nfs/dbraw/zinc/21/29/64/601212964.db2.gz DXDOLALLGUZSSB-UHFFFAOYSA-N -1 0 314.386 -0.168 20 0 DBADRM O=C([O-])/C=C1/SCC(=O)N1CCCSC[C@@H](O)CO ZINC000833195612 601223626 /nfs/dbraw/zinc/22/36/26/601223626.db2.gz GYRDKNWKRPIKGT-JVVDXDAESA-N -1 0 307.393 -0.036 20 0 DBADRM O=C([O-])/C=C1\SCC(=O)N1CCCSC[C@@H](O)CO ZINC000833195611 601223667 /nfs/dbraw/zinc/22/36/67/601223667.db2.gz GYRDKNWKRPIKGT-HDPPJLHVSA-N -1 0 307.393 -0.036 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])on1 ZINC000832884992 601229412 /nfs/dbraw/zinc/22/94/12/601229412.db2.gz HAMAGFXDWXNEMV-SECBINFHSA-N -1 0 317.323 -0.912 20 0 DBADRM NC(=O)CN1C[C@H](OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1=O ZINC000833080847 601240103 /nfs/dbraw/zinc/24/01/03/601240103.db2.gz FCFJCOBVCXPQSJ-IVZWLZJFSA-N -1 0 312.322 -0.493 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000088769365 601254045 /nfs/dbraw/zinc/25/40/45/601254045.db2.gz UMPMIHRHIGRLSF-SNVBAGLBSA-N -1 0 319.383 -0.619 20 0 DBADRM CCCNC(=O)CN(CCC)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000088769656 601255504 /nfs/dbraw/zinc/25/55/04/601255504.db2.gz RXFMUNHCYOSXFD-UHFFFAOYSA-N -1 0 323.415 -0.124 20 0 DBADRM CCOC(=O)CN(C1CC1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000088769853 601256162 /nfs/dbraw/zinc/25/61/62/601256162.db2.gz AXVQTNKHPGOORN-UHFFFAOYSA-N -1 0 308.356 -0.335 20 0 DBADRM COC(=O)N1CCC(NS(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000831203188 601257397 /nfs/dbraw/zinc/25/73/97/601257397.db2.gz GMZJBQHVSPTROH-UHFFFAOYSA-N -1 0 323.371 -0.542 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)[C@H]2CCOC2)CC1 ZINC000827384928 601257497 /nfs/dbraw/zinc/25/74/97/601257497.db2.gz AHLUWBYHDCDBFQ-MNOVXSKESA-N -1 0 306.384 -0.414 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC(=O)NC1CCCC1 ZINC000830743015 601257877 /nfs/dbraw/zinc/25/78/77/601257877.db2.gz WBSWTXKNDVXSQE-UHFFFAOYSA-N -1 0 307.372 -0.714 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000827386932 601259280 /nfs/dbraw/zinc/25/92/80/601259280.db2.gz ZCVVZHKPIRUCJZ-VXGBXAGGSA-N -1 0 320.411 -0.024 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCCN1CCCCC1=O ZINC000830747679 601259970 /nfs/dbraw/zinc/25/99/70/601259970.db2.gz ZDNNOFWIDWGXQA-UHFFFAOYSA-N -1 0 321.399 -0.370 20 0 DBADRM COC(=O)C1CCC(NS(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000831100010 601260399 /nfs/dbraw/zinc/26/03/99/601260399.db2.gz KKKHVAVURATBPP-UHFFFAOYSA-N -1 0 322.383 -0.041 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC(c2nnc[nH]2)CC1 ZINC000830734756 601261442 /nfs/dbraw/zinc/26/14/42/601261442.db2.gz IHTABECBYLBACI-UHFFFAOYSA-N -1 0 317.371 -0.365 20 0 DBADRM CC(C)N1CC[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1=O ZINC000708565083 601261944 /nfs/dbraw/zinc/26/19/44/601261944.db2.gz TYEDXYPKHZAASN-SECBINFHSA-N -1 0 307.372 -0.763 20 0 DBADRM COC(=O)CC1(NS(=O)(=O)CCCC(=O)[O-])CCOCC1 ZINC000831139214 601270484 /nfs/dbraw/zinc/27/04/84/601270484.db2.gz UEMFUZIOFJXIFP-UHFFFAOYSA-N -1 0 323.367 -0.117 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccnc(C(=O)OC)c1)C(=O)[O-] ZINC000831133576 601272016 /nfs/dbraw/zinc/27/20/16/601272016.db2.gz GQJRXBNLTXEKAL-MRVPVSSYSA-N -1 0 310.262 -0.386 20 0 DBADRM Cc1cc(C)n(CCCNC(=O)Cn2cc(C(=O)[O-])nn2)n1 ZINC000319933315 601272501 /nfs/dbraw/zinc/27/25/01/601272501.db2.gz OAUFMDOCACVYGB-UHFFFAOYSA-N -1 0 306.326 -0.004 20 0 DBADRM C[C@@H](CS(=O)(=O)NCC(C)(C)N1CCOCC1)C(=O)[O-] ZINC000827558454 601272699 /nfs/dbraw/zinc/27/26/99/601272699.db2.gz MXVBORHUWBJBCI-JTQLQIEISA-N -1 0 308.400 -0.263 20 0 DBADRM C[C@H](CS(=O)(=O)NCC(C)(C)N1CCOCC1)C(=O)[O-] ZINC000827558455 601272718 /nfs/dbraw/zinc/27/27/18/601272718.db2.gz MXVBORHUWBJBCI-SNVBAGLBSA-N -1 0 308.400 -0.263 20 0 DBADRM CC(C)[C@H](CNS(=O)(=O)C[C@H](C)C(=O)[O-])N1CCOCC1 ZINC000827557306 601273954 /nfs/dbraw/zinc/27/39/54/601273954.db2.gz CRRBMJUITCKYEB-RYUDHWBXSA-N -1 0 322.427 -0.017 20 0 DBADRM CCOC(=O)CCN(C(=O)Cn1cc(C(=O)[O-])nn1)C1CC1 ZINC000829843322 601278772 /nfs/dbraw/zinc/27/87/72/601278772.db2.gz SNOMOOZCIXLKIE-UHFFFAOYSA-N -1 0 310.310 -0.080 20 0 DBADRM NC(=O)NCc1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000833085242 601279140 /nfs/dbraw/zinc/27/91/40/601279140.db2.gz DSDQZVQNKLDEQA-UHFFFAOYSA-N -1 0 318.293 -0.217 20 0 DBADRM CCc1nnc2n1C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)CC2 ZINC000830338794 601280109 /nfs/dbraw/zinc/28/01/09/601280109.db2.gz ANYFEJJFYLGTFS-MRVPVSSYSA-N -1 0 319.325 -0.739 20 0 DBADRM COC(=O)c1cn(CC(=O)N(C[C@H](C)C(=O)[O-])C2CC2)nn1 ZINC000831462252 601280752 /nfs/dbraw/zinc/28/07/52/601280752.db2.gz WSDUMIGGBJYETQ-QMMMGPOBSA-N -1 0 310.310 -0.224 20 0 DBADRM NC(=O)CC[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000833082214 601281260 /nfs/dbraw/zinc/28/12/60/601281260.db2.gz NZXKODQVWUYTKA-VIFPVBQESA-N -1 0 309.326 -0.520 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CCCN2c2ncccn2)CCO1 ZINC000387019975 601281584 /nfs/dbraw/zinc/28/15/84/601281584.db2.gz KOIDPJIZRIHNNI-GHMZBOCLSA-N -1 0 306.322 -0.243 20 0 DBADRM O=C([O-])c1cc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)ccn1 ZINC000833355328 601282146 /nfs/dbraw/zinc/28/21/46/601282146.db2.gz LKQFLLJCAGYZDL-SNVBAGLBSA-N -1 0 303.274 -0.201 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)nn1 ZINC000831461705 601286277 /nfs/dbraw/zinc/28/62/77/601286277.db2.gz CZPOYDZJSNPMPX-SECBINFHSA-N -1 0 322.321 -0.222 20 0 DBADRM COC(=O)c1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)o1 ZINC000831378610 601286642 /nfs/dbraw/zinc/28/66/42/601286642.db2.gz AFBOJMZAIJQCSJ-UHFFFAOYSA-N -1 0 308.250 -0.328 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@@](O)(C(F)(F)F)C2)nn1 ZINC000313877922 601289301 /nfs/dbraw/zinc/28/93/01/601289301.db2.gz SDINHEAPYUAAJV-VIFPVBQESA-N -1 0 308.216 -0.498 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000828488020 601289603 /nfs/dbraw/zinc/28/96/03/601289603.db2.gz UCBZPAFYXNYHEE-IMSYWVGJSA-N -1 0 304.368 -0.507 20 0 DBADRM COC(=O)c1cn(CC(=O)N[C@H](C(=O)[O-])c2ccccn2)nn1 ZINC000831461963 601290536 /nfs/dbraw/zinc/29/05/36/601290536.db2.gz KXASBKSCBAZESS-NSHDSACASA-N -1 0 319.277 -0.598 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CCC(=O)N1CCOCC1 ZINC000831548961 601292159 /nfs/dbraw/zinc/29/21/59/601292159.db2.gz BNZXACGDUDVKEN-AWEZNQCLSA-N -1 0 316.354 -0.379 20 0 DBADRM CN(C)c1nc(N)nc(CN(CCC(=O)[O-])C[C@H]2CCCO2)n1 ZINC000830647811 601317629 /nfs/dbraw/zinc/31/76/29/601317629.db2.gz WVWDRTHVGMIVRK-SNVBAGLBSA-N -1 0 324.385 -0.025 20 0 DBADRM Cn1cc(NC(=O)CN2C(=O)NC(=O)C2(C)C)cc1C(=O)[O-] ZINC000833045284 601320488 /nfs/dbraw/zinc/32/04/88/601320488.db2.gz KWKOYTCLWLPRQZ-UHFFFAOYSA-N -1 0 308.294 -0.008 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCCCC(=O)[O-] ZINC000820641213 601333320 /nfs/dbraw/zinc/33/33/20/601333320.db2.gz NKRROIJLUXOEGF-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM CNS(=O)(=O)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000831025585 601341521 /nfs/dbraw/zinc/34/15/21/601341521.db2.gz UBWMJGMWVPMYIB-LLVKDONJSA-N -1 0 312.347 -0.426 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000831025721 601341546 /nfs/dbraw/zinc/34/15/46/601341546.db2.gz WENFZEGKVOYDGA-LLVKDONJSA-N -1 0 316.335 -0.514 20 0 DBADRM CNS(=O)(=O)CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000831024593 601341720 /nfs/dbraw/zinc/34/17/20/601341720.db2.gz HGEIVWPXEYZKKA-NSHDSACASA-N -1 0 300.336 -0.180 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NCCSCCC(=O)[O-])c1=O ZINC000833037910 601342130 /nfs/dbraw/zinc/34/21/30/601342130.db2.gz VRMMLWRGYPGEOJ-UHFFFAOYSA-N -1 0 301.324 -0.576 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)N[C@@H]2CCCNC2=O)ccc1F ZINC000833156337 601349613 /nfs/dbraw/zinc/34/96/13/601349613.db2.gz FJBMTPSNFNCYCC-SNVBAGLBSA-N -1 0 323.280 -0.143 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCNC2=O)cc1 ZINC000833267155 601349623 /nfs/dbraw/zinc/34/96/23/601349623.db2.gz ZHIXDGVNJYJISP-LLVKDONJSA-N -1 0 319.317 -0.353 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)N[C@H]2CCCNC2=O)ccc1F ZINC000833156335 601349873 /nfs/dbraw/zinc/34/98/73/601349873.db2.gz FJBMTPSNFNCYCC-JTQLQIEISA-N -1 0 323.280 -0.143 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000832913463 601350125 /nfs/dbraw/zinc/35/01/25/601350125.db2.gz GWZWIDIBQLYMBE-JTQLQIEISA-N -1 0 319.317 -0.021 20 0 DBADRM CC(C)N1C(=O)C(=O)N(CN2CC[C@@](F)(C(=O)[O-])C2)C1=O ZINC000826956638 601372038 /nfs/dbraw/zinc/37/20/38/601372038.db2.gz WSSFUMJUMZLCMM-LBPRGKRZSA-N -1 0 301.274 -0.358 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000261812219 601372400 /nfs/dbraw/zinc/37/24/00/601372400.db2.gz LYAKBFCNMZUFOZ-SNVBAGLBSA-N -1 0 322.383 -0.736 20 0 DBADRM Nc1cccc2c1C(=O)N(CN1CCO[C@@H](CC(=O)[O-])C1)C2=O ZINC000833091835 601377107 /nfs/dbraw/zinc/37/71/07/601377107.db2.gz WZDQFNLXAWOLIO-VIFPVBQESA-N -1 0 319.317 -0.002 20 0 DBADRM Cn1cc(C[C@H]2CC(=O)N(CN(CC(=O)[O-])C3CC3)C2=O)cn1 ZINC000833044031 601377910 /nfs/dbraw/zinc/37/79/10/601377910.db2.gz NCDLXVOAEJXZCX-NSHDSACASA-N -1 0 320.349 -0.156 20 0 DBADRM Cn1cc(C[C@@H]2CC(=O)N(CN(CC(=O)[O-])C3CC3)C2=O)cn1 ZINC000833044030 601378037 /nfs/dbraw/zinc/37/80/37/601378037.db2.gz NCDLXVOAEJXZCX-LLVKDONJSA-N -1 0 320.349 -0.156 20 0 DBADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1C[C@@H](O)[C@@H](O)C1 ZINC000826009369 601388710 /nfs/dbraw/zinc/38/87/10/601388710.db2.gz XGSHZWNHGMGIRV-TVYUQYBPSA-N -1 0 308.334 -0.573 20 0 DBADRM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000163423591 601392390 /nfs/dbraw/zinc/39/23/90/601392390.db2.gz CLNJKRFDNCMCQP-VIFPVBQESA-N -1 0 318.307 -0.725 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)C(=O)[O-] ZINC000827465724 601399120 /nfs/dbraw/zinc/39/91/20/601399120.db2.gz BLVDRWYWMLRJEB-XVKPBYJWSA-N -1 0 313.335 -0.447 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000049098696 601400520 /nfs/dbraw/zinc/40/05/20/601400520.db2.gz JQMVRXPLFYJWNS-MRVPVSSYSA-N -1 0 300.336 -0.061 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1=O ZINC000830907778 601427063 /nfs/dbraw/zinc/42/70/63/601427063.db2.gz PKGQXMXQBGKSQC-XULOGPSESA-N -1 0 309.322 -0.456 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000825982647 601437446 /nfs/dbraw/zinc/43/74/46/601437446.db2.gz JGWBYRLLWYQCNI-XPTSAGLGSA-N -1 0 315.345 -0.403 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@@](F)(C(=O)[O-])C2)CC1 ZINC000825841067 601437621 /nfs/dbraw/zinc/43/76/21/601437621.db2.gz OSTKSKJDICKOOI-HZMBPMFUSA-N -1 0 315.345 -0.436 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)c1ccc(O)cc1 ZINC000831067332 601439140 /nfs/dbraw/zinc/43/91/40/601439140.db2.gz PHWZDDQMYDPERS-JTQLQIEISA-N -1 0 324.289 -0.746 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000826005617 601455384 /nfs/dbraw/zinc/45/53/84/601455384.db2.gz ZEDFXEVAHRYNKR-WOPDTQHZSA-N -1 0 300.355 -0.154 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@H](CO)C2)ccc1C(=O)[O-] ZINC000820991687 601455842 /nfs/dbraw/zinc/45/58/42/601455842.db2.gz NNIDYCILFLZLHJ-NSHDSACASA-N -1 0 322.317 -0.149 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)N2CCO[C@H](CO)C2)cc1 ZINC000833285631 601456246 /nfs/dbraw/zinc/45/62/46/601456246.db2.gz JBEXVLDKZSLOSE-NSHDSACASA-N -1 0 323.305 -0.065 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CCO[C@@H](CC(=O)[O-])C1 ZINC000387465956 601458230 /nfs/dbraw/zinc/45/82/30/601458230.db2.gz UTMOTXBUULRWPH-NSHDSACASA-N -1 0 315.370 -0.854 20 0 DBADRM Cn1cc(N2CC[C@H](N3CCO[C@H](CC(=O)[O-])C3)C2=O)cn1 ZINC000833045660 601461081 /nfs/dbraw/zinc/46/10/81/601461081.db2.gz FWTUCXVIOFMYBN-NEPJUHHUSA-N -1 0 308.338 -0.299 20 0 DBADRM O=C([O-])CSCCNC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000833261895 601474554 /nfs/dbraw/zinc/47/45/54/601474554.db2.gz MTQNJLVOFJJJFU-UHFFFAOYSA-N -1 0 301.368 -0.180 20 0 DBADRM CN1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O ZINC000704307030 601478356 /nfs/dbraw/zinc/47/83/56/601478356.db2.gz NQIKRFMQZWHNIV-SSDOTTSWSA-N -1 0 302.308 -0.123 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000819585774 601483188 /nfs/dbraw/zinc/48/31/88/601483188.db2.gz GTLPJLQWIDHNLH-PHIMTYICSA-N -1 0 322.317 -0.794 20 0 DBADRM Cc1noc(C)c1NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000833022805 601491097 /nfs/dbraw/zinc/49/10/97/601491097.db2.gz HNKMDMVQIBQGOJ-SECBINFHSA-N -1 0 311.294 -0.068 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)no1 ZINC000830224585 601493299 /nfs/dbraw/zinc/49/32/99/601493299.db2.gz QIYXPEZGJQUWAE-SECBINFHSA-N -1 0 311.294 -0.122 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000831001134 601496813 /nfs/dbraw/zinc/49/68/13/601496813.db2.gz WYEIDPUHPPZMES-SECBINFHSA-N -1 0 321.333 -0.107 20 0 DBADRM CN(CC(=O)NCCCCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000830676661 601498225 /nfs/dbraw/zinc/49/82/25/601498225.db2.gz XYAHKHUTWBHHPB-LLVKDONJSA-N -1 0 320.411 -0.134 20 0 DBADRM CNS(=O)(=O)CC(=O)N(CCC(=O)[O-])Cc1ccncc1 ZINC000831024629 601515532 /nfs/dbraw/zinc/51/55/32/601515532.db2.gz IERNNDJWTCMUDE-UHFFFAOYSA-N -1 0 315.351 -0.566 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CCO1 ZINC000831670969 601517697 /nfs/dbraw/zinc/51/76/97/601517697.db2.gz DOFHURPKMAYZCR-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)CCN1CCCS1(=O)=O)C1CC1 ZINC000767072798 601529882 /nfs/dbraw/zinc/52/98/82/601529882.db2.gz KALOXBUZRDTDEM-SNVBAGLBSA-N -1 0 304.368 -0.219 20 0 DBADRM COCCn1nc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)ccc1=O ZINC000316835270 601534760 /nfs/dbraw/zinc/53/47/60/601534760.db2.gz CXFDJOGSUUAKRP-NSHDSACASA-N -1 0 309.322 -0.127 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@H](CC(=O)[O-])C2CC2)nn1 ZINC000830556307 601539204 /nfs/dbraw/zinc/53/92/04/601539204.db2.gz AGRQBXHFFOYHGI-SECBINFHSA-N -1 0 309.326 -0.651 20 0 DBADRM CN1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)C(C)(C)C1=O ZINC000316567406 601546730 /nfs/dbraw/zinc/54/67/30/601546730.db2.gz OUNWUFNUCADJCD-UHFFFAOYSA-N -1 0 311.382 -0.138 20 0 DBADRM COc1cc(C(=O)NC(C)(C)C(=O)[O-])sc1S(N)(=O)=O ZINC000831871320 601553294 /nfs/dbraw/zinc/55/32/94/601553294.db2.gz MYUDWTWTHWQSRX-UHFFFAOYSA-N -1 0 322.364 -0.003 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1C[C@H](O)C[C@H](O)C1 ZINC000825977610 601557117 /nfs/dbraw/zinc/55/71/17/601557117.db2.gz KLMSKMMQHPTDLI-ZMLRMANQSA-N -1 0 300.355 -0.874 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCOC[C@H]1C(=O)OC)C(=O)[O-] ZINC000828715570 601559269 /nfs/dbraw/zinc/55/92/69/601559269.db2.gz DJFIRTSNYTVNCI-JBLDHEPKSA-N -1 0 316.354 -0.524 20 0 DBADRM O=C([O-])c1cn(CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)nn1 ZINC000833337712 601560410 /nfs/dbraw/zinc/56/04/10/601560410.db2.gz HQXYQUZJBNCOSD-QWRGUYRKSA-N -1 0 314.367 -0.025 20 0 DBADRM C[C@H](CC(N)=O)Nc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000136152674 601561529 /nfs/dbraw/zinc/56/15/29/601561529.db2.gz TZPWSBFETGRRHF-ZCFIWIBFSA-N -1 0 301.324 -0.292 20 0 DBADRM O=C([O-])C[C@@H]1CN(CC(=O)NC(=O)NC2CCCC2)CCO1 ZINC000316914074 601571955 /nfs/dbraw/zinc/57/19/55/601571955.db2.gz YYYHSYWCWSSXLZ-LLVKDONJSA-N -1 0 313.354 -0.070 20 0 DBADRM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC000829074796 601576730 /nfs/dbraw/zinc/57/67/30/601576730.db2.gz JIGLDWTVSSUSIV-ZCFIWIBFSA-N -1 0 319.364 -0.260 20 0 DBADRM O=C(CN1CCN2C(=O)NC[C@@H]2C1)NC1(C(=O)[O-])CCCCC1 ZINC000833107344 601579319 /nfs/dbraw/zinc/57/93/19/601579319.db2.gz CKYUPJHNBGLZEA-LLVKDONJSA-N -1 0 324.381 -0.401 20 0 DBADRM Cc1nc2n(n1)CCN(S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C2 ZINC000761309794 601579932 /nfs/dbraw/zinc/57/99/32/601579932.db2.gz QIHOFPPOCFXOHS-UHFFFAOYSA-N -1 0 311.323 -0.183 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)C[C@@H]1C(=O)[O-] ZINC000111253037 601589751 /nfs/dbraw/zinc/58/97/51/601589751.db2.gz GWQIKQRFYWTMDO-APPZFPTMSA-N -1 0 315.351 -0.535 20 0 DBADRM NS(=O)(=O)CCN1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC000833087408 601596265 /nfs/dbraw/zinc/59/62/65/601596265.db2.gz AGFWDDJPIXKXPE-UHFFFAOYSA-N -1 0 317.367 -0.616 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NCC2(C(=O)[O-])CCCC2)c1=O ZINC000316516080 601599383 /nfs/dbraw/zinc/59/93/83/601599383.db2.gz VCKXCERIWHKAFO-UHFFFAOYSA-N -1 0 309.322 -0.692 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H](C)C(=O)[O-] ZINC000820149473 601610494 /nfs/dbraw/zinc/61/04/94/601610494.db2.gz XEXSPYJQSAEIPD-BQBZGAKWSA-N -1 0 305.312 -0.897 20 0 DBADRM C[C@@H](CNC(=O)Nc1ccn(CCS(C)(=O)=O)n1)C(=O)[O-] ZINC000827492420 601626985 /nfs/dbraw/zinc/62/69/85/601626985.db2.gz AUJPJDLMKMOLAI-QMMMGPOBSA-N -1 0 318.355 -0.230 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000262155624 601630621 /nfs/dbraw/zinc/63/06/21/601630621.db2.gz OHHOPVBYDKCVLO-NSHDSACASA-N -1 0 322.383 -0.690 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N(CC(=O)[O-])C2CC2)CC1 ZINC000037588690 601636787 /nfs/dbraw/zinc/63/67/87/601636787.db2.gz QZHOQRZVRMXQPU-UHFFFAOYSA-N -1 0 304.368 -0.266 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)NCC1(C(=O)[O-])CCCC1 ZINC000833103882 601649254 /nfs/dbraw/zinc/64/92/54/601649254.db2.gz LCXJYSBHDMOVAL-UHFFFAOYSA-N -1 0 309.322 -0.312 20 0 DBADRM C[C@H]1CN(C(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000828354237 601651179 /nfs/dbraw/zinc/65/11/79/601651179.db2.gz HLVHSOJDHYEDER-UWVGGRQHSA-N -1 0 321.399 -0.370 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000767216752 601654537 /nfs/dbraw/zinc/65/45/37/601654537.db2.gz POVHKRNNKMAYNW-JOYOIKCWSA-N -1 0 322.358 -0.174 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CC[C@](F)(C(=O)[O-])C1)C(C)C ZINC000831540591 601658753 /nfs/dbraw/zinc/65/87/53/601658753.db2.gz ADQHLYBYTBMFLG-GXFFZTMASA-N -1 0 304.318 -0.201 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)CCCN2C(=O)CCC2=O)C1 ZINC000833098505 601659185 /nfs/dbraw/zinc/65/91/85/601659185.db2.gz GBPGGWKKCWJTLD-CYBMUJFWSA-N -1 0 300.286 -0.059 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000826980724 601660031 /nfs/dbraw/zinc/66/00/31/601660031.db2.gz UTNPQATZISSPAN-NXEZZACHSA-N -1 0 321.399 -0.324 20 0 DBADRM C[C@H]1CN(C(=O)NCCCN2C(=O)CCC2=O)C[C@@H]1C(=O)[O-] ZINC000828354093 601660138 /nfs/dbraw/zinc/66/01/38/601660138.db2.gz FRJNTFIAVRVZSV-UWVGGRQHSA-N -1 0 311.338 -0.112 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCN2C(=O)CNC2=O)C[C@@H]1C(=O)[O-] ZINC000828354136 601660685 /nfs/dbraw/zinc/66/06/85/601660685.db2.gz GATZYUGLGXMADG-BDAKNGLRSA-N -1 0 312.326 -0.710 20 0 DBADRM COCCN1C[C@H](C(=O)N2CC[C@@](F)(C(=O)[O-])C2)CC1=O ZINC000831742124 601660980 /nfs/dbraw/zinc/66/09/80/601660980.db2.gz YHNIOVOLEVYPSD-RNCFNFMXSA-N -1 0 302.302 -0.494 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CC[C@@](F)(C(=O)[O-])C2)CC1=O ZINC000831742126 601661068 /nfs/dbraw/zinc/66/10/68/601661068.db2.gz YHNIOVOLEVYPSD-ZANVPECISA-N -1 0 302.302 -0.494 20 0 DBADRM CC[C@H](NC(=O)CCSCC(=O)[O-])C(=O)N1CCOCC1 ZINC000828933163 601665043 /nfs/dbraw/zinc/66/50/43/601665043.db2.gz PCIMPRKNLPUWEC-JTQLQIEISA-N -1 0 318.395 -0.052 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000827928577 601667617 /nfs/dbraw/zinc/66/76/17/601667617.db2.gz JDFPRXZVQITXLN-RKDXNWHRSA-N -1 0 314.367 -0.002 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)nn1 ZINC000833340513 601690339 /nfs/dbraw/zinc/69/03/39/601690339.db2.gz VDQHBOBFRJYENZ-GHMZBOCLSA-N -1 0 310.310 -0.617 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@](C)(COC)C(=O)[O-] ZINC000262141520 601692147 /nfs/dbraw/zinc/69/21/47/601692147.db2.gz SCJLTPOJORDWIS-LLVKDONJSA-N -1 0 310.372 -0.736 20 0 DBADRM COC[C@](C)(NC(=O)c1ccc(S(N)(=O)=O)s1)C(=O)[O-] ZINC000831623855 601694276 /nfs/dbraw/zinc/69/42/76/601694276.db2.gz XBDBPQFSSGNNPH-JTQLQIEISA-N -1 0 322.364 -0.385 20 0 DBADRM COC[C@](C)(NC(=O)CCCN1C(=O)CN(C)C1=O)C(=O)[O-] ZINC000328517654 601697752 /nfs/dbraw/zinc/69/77/52/601697752.db2.gz FNLKYBFHZSIQGV-ZDUSSCGKSA-N -1 0 315.326 -0.734 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000826717912 601705688 /nfs/dbraw/zinc/70/56/88/601705688.db2.gz XFYHSKHXZLBCNM-UTLUCORTSA-N -1 0 306.384 -0.261 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000825876186 601717777 /nfs/dbraw/zinc/71/77/77/601717777.db2.gz SGLPNZLLQTYVLG-ONGXEEELSA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC000828326279 601720312 /nfs/dbraw/zinc/72/03/12/601720312.db2.gz PPKOPQFOVVCMCW-PSASIEDQSA-N -1 0 319.383 -0.919 20 0 DBADRM C[C@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC000828326287 601720345 /nfs/dbraw/zinc/72/03/45/601720345.db2.gz PPKOPQFOVVCMCW-WCBMZHEXSA-N -1 0 319.383 -0.919 20 0 DBADRM Cn1nc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c2ccccc2c1=O ZINC000776680587 601723366 /nfs/dbraw/zinc/72/33/66/601723366.db2.gz WSEVXFQGWJJTJM-HNNXBMFYSA-N -1 0 317.301 -0.093 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2ccnc(-n3cncn3)c2)CCOC1 ZINC000833127180 601725306 /nfs/dbraw/zinc/72/53/06/601725306.db2.gz FTWYZAGQYMPTGQ-ZDUSSCGKSA-N -1 0 303.278 -0.364 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)N[C@@]2(C(=O)[O-])CCOC2)C1=O ZINC000387733161 601737400 /nfs/dbraw/zinc/73/74/00/601737400.db2.gz VDROVPRYIJTCDV-STQMWFEESA-N -1 0 313.310 -0.933 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)S1 ZINC000833089516 601738589 /nfs/dbraw/zinc/73/85/89/601738589.db2.gz QLCGEWYPLWAWMV-NKWVEPMBSA-N -1 0 301.324 -0.755 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccccc2-n2cnnn2)CCO1 ZINC000262815104 601742182 /nfs/dbraw/zinc/74/21/82/601742182.db2.gz QOPRKMUHXLORRR-SNVBAGLBSA-N -1 0 317.305 -0.022 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)N2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000262680579 601744516 /nfs/dbraw/zinc/74/45/16/601744516.db2.gz SMLWYASGXKZWGO-SNVBAGLBSA-N -1 0 319.383 -0.632 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)nn1 ZINC000833083404 601747313 /nfs/dbraw/zinc/74/73/13/601747313.db2.gz XHMIJZKAVUQYNA-NSHDSACASA-N -1 0 321.268 -0.542 20 0 DBADRM CC[C@@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)C(=O)[O-] ZINC000818278778 601749564 /nfs/dbraw/zinc/74/95/64/601749564.db2.gz ZPKYLYJASRRFPK-XCBNKYQSSA-N -1 0 313.335 -0.304 20 0 DBADRM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000829602441 601791039 /nfs/dbraw/zinc/79/10/39/601791039.db2.gz NROXBOISSOESET-IUCAKERBSA-N -1 0 315.413 -0.208 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000054502134 601757302 /nfs/dbraw/zinc/75/73/02/601757302.db2.gz QVEQCRJPPIIGFB-VIFPVBQESA-N -1 0 301.324 -0.735 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)CNC(=O)c2ccncc2)CCO1 ZINC000833216763 601760301 /nfs/dbraw/zinc/76/03/01/601760301.db2.gz RHDYNHSRKZWAHQ-NSHDSACASA-N -1 0 307.306 -0.487 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cnc3c2ncnc3N)C[C@H]1C(=O)[O-] ZINC000828350026 601761239 /nfs/dbraw/zinc/76/12/39/601761239.db2.gz XOICSKRTCQBNSE-HTQZYQBOSA-N -1 0 304.310 -0.412 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NCC(=O)N2CCCCC2)CCO1 ZINC000317005269 601765741 /nfs/dbraw/zinc/76/57/41/601765741.db2.gz IEHFTTDBUVEOPB-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCC(=O)N2CCCCC2)CCO1 ZINC000317005268 601765864 /nfs/dbraw/zinc/76/58/64/601765864.db2.gz IEHFTTDBUVEOPB-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)CNC(=O)Cc2ccccc2)CCOC1 ZINC000262132673 601766605 /nfs/dbraw/zinc/76/66/05/601766605.db2.gz QTQIMXGJFAYMMF-OAHLLOKOSA-N -1 0 306.318 -0.295 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NCc2nnc3n2CCCC3)CCO1 ZINC000833219134 601768265 /nfs/dbraw/zinc/76/82/65/601768265.db2.gz WKFKTUQLWJNMTM-JTQLQIEISA-N -1 0 323.353 -0.001 20 0 DBADRM CN(C)C(=O)CCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000390221823 601769317 /nfs/dbraw/zinc/76/93/17/601769317.db2.gz DUDSMNUHTUOGJM-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000829618776 601771019 /nfs/dbraw/zinc/77/10/19/601771019.db2.gz HKDCMISJAKAFBF-IUCAKERBSA-N -1 0 313.397 -0.454 20 0 DBADRM CN1CCO[C@@H](CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC000217792072 601773482 /nfs/dbraw/zinc/77/34/82/601773482.db2.gz CSRAZHBAJFTNSU-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCCN2C(=O)CCC2=O)CCO1 ZINC000405332220 601775392 /nfs/dbraw/zinc/77/53/92/601775392.db2.gz BEEVGSJVXYJAGA-SECBINFHSA-N -1 0 313.310 -0.980 20 0 DBADRM CCN1CCO[C@H](CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC000319257267 601776069 /nfs/dbraw/zinc/77/60/69/601776069.db2.gz YUDJOKJMCAKKOF-NWDGAFQWSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@H](CS(=O)(=O)NCC(=O)NCC(F)(F)F)C(=O)[O-] ZINC000827559005 601777770 /nfs/dbraw/zinc/77/77/70/601777770.db2.gz UNEMXAFKTFHEQH-RXMQYKEDSA-N -1 0 306.262 -0.695 20 0 DBADRM CC(C)(CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1)S(C)(=O)=O ZINC000093535004 601780374 /nfs/dbraw/zinc/78/03/74/601780374.db2.gz FSMWFFGXQJPGAP-VIFPVBQESA-N -1 0 322.383 -0.305 20 0 DBADRM CC(C)(CNC(=O)N1CCO[C@H](CC(=O)[O-])C1)S(C)(=O)=O ZINC000093535002 601780382 /nfs/dbraw/zinc/78/03/82/601780382.db2.gz FSMWFFGXQJPGAP-SECBINFHSA-N -1 0 322.383 -0.305 20 0 DBADRM CC(=O)NCC1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000825875613 601780920 /nfs/dbraw/zinc/78/09/20/601780920.db2.gz GKSSKONOKGDCRT-SECBINFHSA-N -1 0 306.384 -0.115 20 0 DBADRM CC[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000818140830 601781709 /nfs/dbraw/zinc/78/17/09/601781709.db2.gz NQXYMZQTDVYWDC-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@H](CS(=O)(=O)NCCN1CCOCC1(C)C)C(=O)[O-] ZINC000827557401 601787395 /nfs/dbraw/zinc/78/73/95/601787395.db2.gz DVQWREIFSYVPES-JTQLQIEISA-N -1 0 308.400 -0.263 20 0 DBADRM CCc1nnc2n1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C2 ZINC000830339087 601790328 /nfs/dbraw/zinc/79/03/28/601790328.db2.gz MDTCRJTXJMDSEJ-QMMMGPOBSA-N -1 0 302.356 -0.293 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000830125825 601790927 /nfs/dbraw/zinc/79/09/27/601790927.db2.gz IURIJWKDOVXPCU-IUCAKERBSA-N -1 0 315.413 -0.208 20 0 DBADRM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000829602440 601790930 /nfs/dbraw/zinc/79/09/30/601790930.db2.gz NROXBOISSOESET-DTWKUNHWSA-N -1 0 315.413 -0.208 20 0 DBADRM COC(=O)CNC(=O)CN1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000831180223 601799200 /nfs/dbraw/zinc/79/92/00/601799200.db2.gz PERNKKFPYPCINV-GFCCVEGCSA-N -1 0 306.318 -0.213 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCCC[C@H]1C(N)=O ZINC000830742677 601799317 /nfs/dbraw/zinc/79/93/17/601799317.db2.gz MZYYJNQQRFNEKR-RKDXNWHRSA-N -1 0 307.372 -0.729 20 0 DBADRM COC(=O)C[C@@H]1CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CCO1 ZINC000831148761 601800036 /nfs/dbraw/zinc/80/00/36/601800036.db2.gz YSQGMSAAAVBYDX-RKDXNWHRSA-N -1 0 309.340 -0.699 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000831059719 601800069 /nfs/dbraw/zinc/80/00/69/601800069.db2.gz KHNFMPGQZRINCV-SECBINFHSA-N -1 0 323.367 -0.261 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)C(=O)[O-] ZINC000827542613 601800372 /nfs/dbraw/zinc/80/03/72/601800372.db2.gz VFNTUBONNBMQNY-UTUOFQBUSA-N -1 0 320.411 -0.311 20 0 DBADRM C[C@@H]1CN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C[C@@H]1C(=O)[O-] ZINC000828333303 601800898 /nfs/dbraw/zinc/80/08/98/601800898.db2.gz GVFIXBGBGCBFTA-VWYCJHECSA-N -1 0 318.395 -0.716 20 0 DBADRM NS(=O)(=O)N1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000833088844 601805990 /nfs/dbraw/zinc/80/59/90/601805990.db2.gz WACLVQCEIWTXCJ-UHFFFAOYSA-N -1 0 305.381 -0.233 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@](C)(CC)C(=O)[O-] ZINC000830017614 601854630 /nfs/dbraw/zinc/85/46/30/601854630.db2.gz SDOBWAQUKHKTQU-LLVKDONJSA-N -1 0 310.372 -0.688 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)COC)CC1 ZINC000739316879 601859430 /nfs/dbraw/zinc/85/94/30/601859430.db2.gz WORGNMXRGISZLB-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000830017804 601859873 /nfs/dbraw/zinc/85/98/73/601859873.db2.gz WKZLVHHTRAMEKY-JTQLQIEISA-N -1 0 324.399 -0.442 20 0 DBADRM COC(=O)c1cn(CC(=O)N(CC(=O)[O-])C2CCCC2)nn1 ZINC000831462132 601872051 /nfs/dbraw/zinc/87/20/51/601872051.db2.gz QZWOEDZXOOBKML-UHFFFAOYSA-N -1 0 310.310 -0.080 20 0 DBADRM COC(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000739776845 601879631 /nfs/dbraw/zinc/87/96/31/601879631.db2.gz QPTBIUBDYHPZHC-MRVPVSSYSA-N -1 0 303.340 -0.050 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)NCCSCC(=O)[O-])O1 ZINC000833082926 601885649 /nfs/dbraw/zinc/88/56/49/601885649.db2.gz TUXBFOYBUQNTPB-HTQZYQBOSA-N -1 0 305.356 -0.864 20 0 DBADRM COC(=O)CCNC(=O)CN1CCSC[C@@H]1CC(=O)[O-] ZINC000831159612 601892519 /nfs/dbraw/zinc/89/25/19/601892519.db2.gz BGPCXVLZFQGGRZ-VIFPVBQESA-N -1 0 304.368 -0.442 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)NCc2ccc(C(=O)[O-])o2)O1 ZINC000833081939 601896780 /nfs/dbraw/zinc/89/67/80/601896780.db2.gz KTAPYUQXSHENBI-CBAPKCEASA-N -1 0 311.294 -0.190 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])nn1 ZINC000833083411 601906831 /nfs/dbraw/zinc/90/68/31/601906831.db2.gz XTDYTCLYILNRML-VHSXEESVSA-N -1 0 323.353 -0.083 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000739312021 601907378 /nfs/dbraw/zinc/90/73/78/601907378.db2.gz LIVSVNPVYLDZKR-ZJUUUORDSA-N -1 0 321.399 -0.037 20 0 DBADRM CCCCN(CC(=O)NCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000820310840 601911284 /nfs/dbraw/zinc/91/12/84/601911284.db2.gz KJIFXEZCOLEAQG-JTQLQIEISA-N -1 0 306.384 -0.524 20 0 DBADRM CN1C(=O)C(=O)N(CN(C2CC2)C2CCN(C(=O)[O-])CC2)C1=O ZINC000739730438 601912592 /nfs/dbraw/zinc/91/25/92/601912592.db2.gz VDCZPKXEQMCXGY-UHFFFAOYSA-N -1 0 324.337 -0.029 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)CC2 ZINC000818552515 601930022 /nfs/dbraw/zinc/93/00/22/601930022.db2.gz RLTWYJOYIZTIJQ-VHSXEESVSA-N -1 0 323.353 -0.145 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000736363906 601951655 /nfs/dbraw/zinc/95/16/55/601951655.db2.gz QNTSTLCLCLAVEI-SDBXPKJASA-N -1 0 312.326 -0.569 20 0 DBADRM C[C@H]1CN(CCNC(=O)[C@H]2CSCN2C(=O)[O-])CCO1 ZINC000739183764 601954063 /nfs/dbraw/zinc/95/40/63/601954063.db2.gz SRCCYRIWLDMCQE-VHSXEESVSA-N -1 0 303.384 -0.124 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)O1 ZINC000833080992 601961103 /nfs/dbraw/zinc/96/11/03/601961103.db2.gz DSOPVFMDAMZIGB-HZGVNTEJSA-N -1 0 317.323 -0.976 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)O1 ZINC000833080999 601961399 /nfs/dbraw/zinc/96/13/99/601961399.db2.gz DSOPVFMDAMZIGB-RCOVLWMOSA-N -1 0 317.323 -0.976 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)O1 ZINC000833082892 601961446 /nfs/dbraw/zinc/96/14/46/601961446.db2.gz SFKUQJFMLRXKQR-BDAKNGLRSA-N -1 0 320.367 -0.806 20 0 DBADRM CC(C)OC(=O)[C@@H](C)N(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000826989625 601967298 /nfs/dbraw/zinc/96/72/98/601967298.db2.gz BXICBWXGZVIAJH-SECBINFHSA-N -1 0 310.372 -0.090 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000832898419 601972118 /nfs/dbraw/zinc/97/21/18/601972118.db2.gz HKJUWDOLJYWNDH-LLVKDONJSA-N -1 0 310.306 -0.436 20 0 DBADRM Cc1n[nH]cc1CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000740210613 601974873 /nfs/dbraw/zinc/97/48/73/601974873.db2.gz YHILELIHRGNDRA-UHFFFAOYSA-N -1 0 310.358 -0.187 20 0 DBADRM COCCN1C[C@@H](C(=O)NCCN(C(=O)[O-])C2CC2)CC1=O ZINC000739827990 601984875 /nfs/dbraw/zinc/98/48/75/601984875.db2.gz DCMFGQLYFRNNIR-JTQLQIEISA-N -1 0 313.354 -0.260 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCCCC[C@H]1C(N)=O ZINC000830742641 601990958 /nfs/dbraw/zinc/99/09/58/601990958.db2.gz KFIDALRUBIQIBH-ZJUUUORDSA-N -1 0 321.399 -0.339 20 0 DBADRM C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)OC(C)(C)C ZINC000707181411 601998482 /nfs/dbraw/zinc/99/84/82/601998482.db2.gz MEXIOVKIQQOMJH-MRVPVSSYSA-N -1 0 310.372 -0.043 20 0 DBADRM NC(=O)Cn1cc(C(=O)OCc2ccc(C(=O)[O-])s2)nn1 ZINC000833083736 602011217 /nfs/dbraw/zinc/01/12/17/602011217.db2.gz KLHUWSLHFKUJEG-UHFFFAOYSA-N -1 0 310.291 -0.120 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739039909 602033038 /nfs/dbraw/zinc/03/30/38/602033038.db2.gz OBFZXJYACMCAFE-LPEHRKFASA-N -1 0 321.399 -0.181 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)NC(C)(C)CC(=O)[O-] ZINC000830017268 602040293 /nfs/dbraw/zinc/04/02/93/602040293.db2.gz JVDQZEDEWFMOHD-UHFFFAOYSA-N -1 0 310.372 -0.688 20 0 DBADRM CNC(=O)COC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739740664 602040313 /nfs/dbraw/zinc/04/03/13/602040313.db2.gz RRNTYKUHMHGKSD-UHFFFAOYSA-N -1 0 311.298 -0.504 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCN3C(=O)NC[C@@H]3C2)n1 ZINC000833275913 602042817 /nfs/dbraw/zinc/04/28/17/602042817.db2.gz QKYMFTBYVQUKDH-MRVPVSSYSA-N -1 0 308.298 -0.791 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1=O ZINC000833056353 602045090 /nfs/dbraw/zinc/04/50/90/602045090.db2.gz OQUNESQAOJOPLE-CQSZACIVSA-N -1 0 307.306 -0.353 20 0 DBADRM CN(C)CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000830604883 602048451 /nfs/dbraw/zinc/04/84/51/602048451.db2.gz WMAXEJBTIUTASP-AXFHLTTASA-N -1 0 318.395 -0.716 20 0 DBADRM CN(CCCC(=O)NCCC(=O)N1CCN(C)CC1)C(=O)[O-] ZINC000737515465 602066252 /nfs/dbraw/zinc/06/62/52/602066252.db2.gz JAJASZAVNZCRTD-UHFFFAOYSA-N -1 0 314.386 -0.343 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CCCN1C(=O)CNC1=O ZINC000829948181 602075050 /nfs/dbraw/zinc/07/50/50/602075050.db2.gz RYJFTWWKHTUNFR-SECBINFHSA-N -1 0 315.326 -0.734 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000827262066 602076081 /nfs/dbraw/zinc/07/60/81/602076081.db2.gz DZDSSJORFXOQKS-QWRGUYRKSA-N -1 0 318.395 -0.572 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)NCCNS(C)(=O)=O)C1 ZINC000739587594 602078213 /nfs/dbraw/zinc/07/82/13/602078213.db2.gz ZYBYDOBQGHKFOV-SECBINFHSA-N -1 0 322.387 -0.681 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000827257991 602094314 /nfs/dbraw/zinc/09/43/14/602094314.db2.gz VTFNPPQEVJIDPC-VHSXEESVSA-N -1 0 306.384 -0.115 20 0 DBADRM CC(C)NC(=O)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737640570 602116743 /nfs/dbraw/zinc/11/67/43/602116743.db2.gz BAJLVXLDOXNVTG-UHFFFAOYSA-N -1 0 321.333 -0.107 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)NCCNS(=O)(=O)CC ZINC000739232954 602122488 /nfs/dbraw/zinc/12/24/88/602122488.db2.gz GCQYVWXCEHAAEU-DTWKUNHWSA-N -1 0 309.388 -0.276 20 0 DBADRM Cn1cc([C@@]2(C)CN(Cn3cc(C(=O)[O-])nn3)CCO2)cn1 ZINC000833043793 602124854 /nfs/dbraw/zinc/12/48/54/602124854.db2.gz WRPNLDYOTWQRJC-CYBMUJFWSA-N -1 0 306.326 -0.085 20 0 DBADRM O=C(CCN1CCCC1=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000740356986 602132450 /nfs/dbraw/zinc/13/24/50/602132450.db2.gz MDYIVYNGRDAMPW-UHFFFAOYSA-N -1 0 312.370 -0.589 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1=O ZINC000818478288 602133363 /nfs/dbraw/zinc/13/33/63/602133363.db2.gz KHXPTJNHOBPZMD-NSHDSACASA-N -1 0 319.317 -0.401 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)CO)c1 ZINC000831242679 602140175 /nfs/dbraw/zinc/14/01/75/602140175.db2.gz OAKXCGLAJNFMHV-ZETCQYMHSA-N -1 0 317.319 -0.170 20 0 DBADRM CCOC[C@@H](O)CN1CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000829983755 602151948 /nfs/dbraw/zinc/15/19/48/602151948.db2.gz BJJNWYMVTPJBSN-RYUDHWBXSA-N -1 0 302.371 -0.361 20 0 DBADRM COC(=O)CN(CCN1CCOCC1)C(=O)[C@H](C)CC(=O)[O-] ZINC000831176220 602156450 /nfs/dbraw/zinc/15/64/50/602156450.db2.gz WVPVKTFPDSGSKP-LLVKDONJSA-N -1 0 316.354 -0.569 20 0 DBADRM CN(CC(=O)NC[C@]1(N2CCOCC2)CCSC1)C(=O)[O-] ZINC000739623520 602167771 /nfs/dbraw/zinc/16/77/71/602167771.db2.gz PNQFCUIGTKOLSN-CYBMUJFWSA-N -1 0 317.411 -0.080 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)[C@@H](C)CC(=O)[O-])cn1 ZINC000831752739 602171895 /nfs/dbraw/zinc/17/18/95/602171895.db2.gz DWWRUHWAVYFOIE-VIFPVBQESA-N -1 0 312.326 -0.305 20 0 DBADRM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])o3)C[C@@H]21 ZINC000830964882 602174852 /nfs/dbraw/zinc/17/48/52/602174852.db2.gz NCQIZKIOGDALJT-WCBMZHEXSA-N -1 0 316.335 -0.319 20 0 DBADRM CN1CCO[C@@H]2CN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C[C@H]21 ZINC000830965215 602174856 /nfs/dbraw/zinc/17/48/56/602174856.db2.gz PJDKKDQKYYCHST-GHMZBOCLSA-N -1 0 315.351 -0.584 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000827292085 602183816 /nfs/dbraw/zinc/18/38/16/602183816.db2.gz OXGDOLRTUIQSAD-RFXMVYNHSA-N -1 0 311.338 -0.066 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)NC1CCN(CC(N)=O)CC1 ZINC000739288827 602186585 /nfs/dbraw/zinc/18/65/85/602186585.db2.gz JWDVCSVRWCWYDK-CQSZACIVSA-N -1 0 314.386 -0.121 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCN(CC(=O)NC)CC1 ZINC000739286429 602187549 /nfs/dbraw/zinc/18/75/49/602187549.db2.gz OWPICOMZBSXTGZ-CQSZACIVSA-N -1 0 314.386 -0.297 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CCCN(CC(N)=O)CC1 ZINC000739293652 602188316 /nfs/dbraw/zinc/18/83/16/602188316.db2.gz XXUJLWAALFAILO-AWEZNQCLSA-N -1 0 314.386 -0.168 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000827246577 602190329 /nfs/dbraw/zinc/19/03/29/602190329.db2.gz BAAFFTYRGCGENR-WDEREUQCSA-N -1 0 320.411 -0.326 20 0 DBADRM CN(CC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)C(=O)[O-] ZINC000739619974 602192323 /nfs/dbraw/zinc/19/23/23/602192323.db2.gz HHCZQULCTFSFRC-SECBINFHSA-N -1 0 307.372 -0.616 20 0 DBADRM CN(CC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000739620459 602192477 /nfs/dbraw/zinc/19/24/77/602192477.db2.gz ULXMWSFMDBTVJX-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CN(CC(=O)NCCN1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000739622905 602192964 /nfs/dbraw/zinc/19/29/64/602192964.db2.gz JFOOKBDLSIURFJ-UHFFFAOYSA-N -1 0 322.369 -0.675 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)Oc1cccc(C(=O)NCC(N)=O)c1 ZINC000827349976 602193459 /nfs/dbraw/zinc/19/34/59/602193459.db2.gz UWNGDAWJNFLXHX-QMMMGPOBSA-N -1 0 308.290 -0.082 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1cccc2nonc21)C(=O)[O-] ZINC000829958554 602210093 /nfs/dbraw/zinc/21/00/93/602210093.db2.gz NDVBYHQKKAXJBB-LLVKDONJSA-N -1 0 315.307 -0.009 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)c2cccc3nonc32)CCOC1 ZINC000800025667 602210148 /nfs/dbraw/zinc/21/01/48/602210148.db2.gz WPQXXQSWPWPLGF-NSHDSACASA-N -1 0 313.291 -0.255 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)N1CCNC1=O ZINC000739228822 602213625 /nfs/dbraw/zinc/21/36/25/602213625.db2.gz FPKKLWHGAXNZMW-IONNQARKSA-N -1 0 301.299 -0.236 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCS2(=O)=O)o1 ZINC000133934743 602222351 /nfs/dbraw/zinc/22/23/51/602222351.db2.gz LUXBCRABTQOILP-SSDOTTSWSA-N -1 0 323.348 -0.167 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739517391 602224023 /nfs/dbraw/zinc/22/40/23/602224023.db2.gz SZSRFVMFANAIHR-SECBINFHSA-N -1 0 307.372 -0.280 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CCC(NC(=O)[O-])CC1 ZINC000739515339 602226246 /nfs/dbraw/zinc/22/62/46/602226246.db2.gz KXRAGKSXLFERSR-UHFFFAOYSA-N -1 0 307.372 -0.137 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)NCCS(C)(=O)=O)C1 ZINC000739586542 602226463 /nfs/dbraw/zinc/22/64/63/602226463.db2.gz VSWNNAAJVXABPI-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)NCCS(C)(=O)=O)C1 ZINC000739586539 602226518 /nfs/dbraw/zinc/22/65/18/602226518.db2.gz VSWNNAAJVXABPI-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM C[C@@H](CCNS(=O)(=O)N(C)CCC(=O)[O-])[S@@](C)=O ZINC000229787218 602227387 /nfs/dbraw/zinc/22/73/87/602227387.db2.gz YYKBSCZNQTZRPR-WNWIJWBNSA-N -1 0 300.402 -0.616 20 0 DBADRM COCCN(C)S(=O)(=O)N(C)[C@@H](COC(C)C)C(=O)[O-] ZINC000831710476 602229544 /nfs/dbraw/zinc/22/95/44/602229544.db2.gz YEEAHVVLKRGXBA-JTQLQIEISA-N -1 0 312.388 -0.381 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cn(C)cn1 ZINC000827027827 602230259 /nfs/dbraw/zinc/23/02/59/602230259.db2.gz YTCCAHQJWVMIKL-VIFPVBQESA-N -1 0 305.356 -0.081 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCOCC1 ZINC000827022001 602231429 /nfs/dbraw/zinc/23/14/29/602231429.db2.gz OZXLSBBNEBRHSS-SNVBAGLBSA-N -1 0 310.372 -0.627 20 0 DBADRM COC(=O)[C@@H](C)NC(=O)c1ccnc(C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000831215207 602249086 /nfs/dbraw/zinc/24/90/86/602249086.db2.gz MGJDZKVIUNINGT-HTQZYQBOSA-N -1 0 323.305 -0.424 20 0 DBADRM CC1CCC(NS(=O)(=O)CC(=O)NCCNC(=O)[O-])CC1 ZINC000739084929 602256834 /nfs/dbraw/zinc/25/68/34/602256834.db2.gz MEKCPICWRBDYTK-UHFFFAOYSA-N -1 0 321.399 -0.132 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)COc2cccnc2)CC1 ZINC000740379342 602257437 /nfs/dbraw/zinc/25/74/37/602257437.db2.gz FUGXTJDJFQLBCS-UHFFFAOYSA-N -1 0 308.338 -0.128 20 0 DBADRM NS(=O)(=O)C1CCN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000740343053 602262665 /nfs/dbraw/zinc/26/26/65/602262665.db2.gz SAJXSUADAGFJFJ-VIFPVBQESA-N -1 0 319.383 -0.344 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000825840397 602280388 /nfs/dbraw/zinc/28/03/88/602280388.db2.gz KLNSSHDKJYYDDS-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000738536494 602290324 /nfs/dbraw/zinc/29/03/24/602290324.db2.gz GDYZZXSGZUVUBP-UHFFFAOYSA-N -1 0 300.359 -0.687 20 0 DBADRM O=C([O-])NCC(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000739935798 602292303 /nfs/dbraw/zinc/29/23/03/602292303.db2.gz BRMBENDFKYHVRN-UHFFFAOYSA-N -1 0 324.341 -0.113 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000739694779 602296063 /nfs/dbraw/zinc/29/60/63/602296063.db2.gz OKSDKZXMMOKVPF-UHFFFAOYSA-N -1 0 320.305 -0.172 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H](CCSC)NC(=O)[O-])CCO1 ZINC000739755766 602302906 /nfs/dbraw/zinc/30/29/06/602302906.db2.gz MIUSCGLXJHDFOO-IUCAKERBSA-N -1 0 320.367 -0.224 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)[O-])CCO1 ZINC000739757347 602302824 /nfs/dbraw/zinc/30/28/24/602302824.db2.gz WYSYMOLBNWJYAF-YUMQZZPRSA-N -1 0 304.324 -0.560 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@@H]2CSCN2C(=O)[O-])CCO1 ZINC000739757342 602302985 /nfs/dbraw/zinc/30/29/85/602302985.db2.gz WYSYMOLBNWJYAF-JGVFFNPUSA-N -1 0 304.324 -0.560 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)NC(C)(C)CNC(=O)[O-])c2=O ZINC000740296291 602308405 /nfs/dbraw/zinc/30/84/05/602308405.db2.gz GNOFXEIPRHKHTO-UHFFFAOYSA-N -1 0 322.325 -0.708 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000738751216 602309427 /nfs/dbraw/zinc/30/94/27/602309427.db2.gz OWQOYLNMUCSKML-UHFFFAOYSA-N -1 0 300.315 -0.521 20 0 DBADRM CN1CC(=O)N(CCCC(=O)NC(C)(C)CNC(=O)[O-])C1=O ZINC000739723402 602309822 /nfs/dbraw/zinc/30/98/22/602309822.db2.gz MBOSRMZVFVZUDY-UHFFFAOYSA-N -1 0 314.342 -0.177 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000738994563 602312011 /nfs/dbraw/zinc/31/20/11/602312011.db2.gz LZJCIQBYALWQOZ-QMMMGPOBSA-N -1 0 322.321 -0.114 20 0 DBADRM CCN(CCNC(=O)[C@H]1CC(=O)N(CCOC)C1)C(=O)[O-] ZINC000739425618 602314162 /nfs/dbraw/zinc/31/41/62/602314162.db2.gz XDTQRAHIVJYUST-JTQLQIEISA-N -1 0 301.343 -0.403 20 0 DBADRM CCN(CCNC(=O)CCC(=O)N1CCOCC1)C(=O)[O-] ZINC000739423239 602314517 /nfs/dbraw/zinc/31/45/17/602314517.db2.gz FWLJMUKXLAGTFC-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM CCN(CCNC(=O)c1ccc(=O)n(CCOC)n1)C(=O)[O-] ZINC000739433960 602315502 /nfs/dbraw/zinc/31/55/02/602315502.db2.gz JFKBFWUPHHUGMH-UHFFFAOYSA-N -1 0 312.326 -0.381 20 0 DBADRM O=C([O-])NCCNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000740658589 602319001 /nfs/dbraw/zinc/31/90/01/602319001.db2.gz NADBNLWREHQKSB-UHFFFAOYSA-N -1 0 318.293 -0.410 20 0 DBADRM O=C([O-])NCCNC(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000740663098 602322122 /nfs/dbraw/zinc/32/21/22/602322122.db2.gz MTORJBYMIQHLIC-UHFFFAOYSA-N -1 0 320.305 -0.151 20 0 DBADRM CS(=O)(=O)NCCNC(=S)NC1CCN(C(=O)[O-])CC1 ZINC000738138800 602322173 /nfs/dbraw/zinc/32/21/73/602322173.db2.gz HVSJZIZCDFSKFT-UHFFFAOYSA-N -1 0 324.428 -0.858 20 0 DBADRM CN(CCNC(=O)Cc1ccc(S(N)(=O)=O)s1)C(=O)[O-] ZINC000739691081 602341101 /nfs/dbraw/zinc/34/11/01/602341101.db2.gz DPHRRXSZMOTOGV-UHFFFAOYSA-N -1 0 321.380 -0.336 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NCCN(C)C(=O)[O-])o1 ZINC000739698343 602341348 /nfs/dbraw/zinc/34/13/48/602341348.db2.gz MMSWGVOOJPKJLU-UHFFFAOYSA-N -1 0 319.339 -0.131 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000740334502 602343057 /nfs/dbraw/zinc/34/30/57/602343057.db2.gz PHJLMYYTERPXGX-SECBINFHSA-N -1 0 316.383 -0.941 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCNC(=O)[O-])C1 ZINC000739519923 602344035 /nfs/dbraw/zinc/34/40/35/602344035.db2.gz XEVSNERRQRDKIL-JTQLQIEISA-N -1 0 321.399 -0.178 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCCNC(=O)[O-])C1=O ZINC000739074174 602348489 /nfs/dbraw/zinc/34/84/89/602348489.db2.gz JBVXOGMYLOVQCR-ZDUSSCGKSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])NCCCNC(=O)Cn1nnc2ccccc2c1=O ZINC000740653931 602349169 /nfs/dbraw/zinc/34/91/69/602349169.db2.gz ZRAOSXFGDBPKSG-UHFFFAOYSA-N -1 0 305.294 -0.435 20 0 DBADRM CC(C)N(CCCNC(=O)CN1CCCS1(=O)=O)C(=O)[O-] ZINC000738850049 602353468 /nfs/dbraw/zinc/35/34/68/602353468.db2.gz QACRAIXYIFFMIG-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM COCCNC(=O)CNC(=O)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739829563 602355942 /nfs/dbraw/zinc/35/59/42/602355942.db2.gz CZEYVKDEVPFFQQ-LBPRGKRZSA-N -1 0 309.322 -0.126 20 0 DBADRM COCCNC(=O)CNC(=O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000739829561 602356077 /nfs/dbraw/zinc/35/60/77/602356077.db2.gz CZEYVKDEVPFFQQ-GFCCVEGCSA-N -1 0 309.322 -0.126 20 0 DBADRM CC(C)N(CCCNC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)[O-] ZINC000738850440 602356337 /nfs/dbraw/zinc/35/63/37/602356337.db2.gz RXZRZWZEHISHTJ-UHFFFAOYSA-N -1 0 312.326 -0.156 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000739316202 602356844 /nfs/dbraw/zinc/35/68/44/602356844.db2.gz ZQNCPPJKDVQXQS-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000736359671 602359422 /nfs/dbraw/zinc/35/94/22/602359422.db2.gz AFXXDHQLQUEVCZ-JTQLQIEISA-N -1 0 321.399 -0.181 20 0 DBADRM CN(CC1CCN(C(=O)CCNS(C)(=O)=O)CC1)C(=O)[O-] ZINC000739645030 602372221 /nfs/dbraw/zinc/37/22/21/602372221.db2.gz UBWPIAIGYKIWLM-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM CN(CC1CCN(CN2C(=O)C(=O)N(C)C2=O)CC1)C(=O)[O-] ZINC000739663597 602372950 /nfs/dbraw/zinc/37/29/50/602372950.db2.gz DRSTWVSWKHGFMV-UHFFFAOYSA-N -1 0 312.326 -0.314 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000737539408 602389770 /nfs/dbraw/zinc/38/97/70/602389770.db2.gz DWIAIOYDGRZOQL-LBPRGKRZSA-N -1 0 314.386 -0.395 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)C1(NC(=O)[O-])CCCC1 ZINC000739515524 602389985 /nfs/dbraw/zinc/38/99/85/602389985.db2.gz NGZGJZLSBMODLT-UHFFFAOYSA-N -1 0 307.372 -0.378 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739514173 602390129 /nfs/dbraw/zinc/39/01/29/602390129.db2.gz GLYUVWCLJLAALJ-UHFFFAOYSA-N -1 0 321.399 -0.132 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)NCC1(C(N)=O)CCOCC1 ZINC000739314293 602390979 /nfs/dbraw/zinc/39/09/79/602390979.db2.gz NRMHEVIIRQEJSS-VIFPVBQESA-N -1 0 301.343 -0.179 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)NCCCN(C)S(C)(=O)=O ZINC000739317409 602393509 /nfs/dbraw/zinc/39/35/09/602393509.db2.gz VZCNPKLMDOTYPF-SECBINFHSA-N -1 0 309.388 -0.180 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000739310789 602393726 /nfs/dbraw/zinc/39/37/26/602393726.db2.gz FITITWGRUBIRHT-VHSXEESVSA-N -1 0 321.399 -0.037 20 0 DBADRM CN(CCCNC(=O)C1(NC(=O)[O-])CCCC1)S(C)(=O)=O ZINC000739669962 602393968 /nfs/dbraw/zinc/39/39/68/602393968.db2.gz LCFJFMICYNJHJG-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NCCCN(C)S(=O)(=O)CC ZINC000739530352 602396112 /nfs/dbraw/zinc/39/61/12/602396112.db2.gz IFZJWDQKNHPDPC-VIFPVBQESA-N -1 0 309.388 -0.180 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC(NS(=O)(=O)CC)CC1 ZINC000739526954 602398483 /nfs/dbraw/zinc/39/84/83/602398483.db2.gz XYKCNNAMXAAGDF-JTQLQIEISA-N -1 0 321.399 -0.037 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@H](O)COc2ccccc2)nn1 ZINC000833122243 602398748 /nfs/dbraw/zinc/39/87/48/602398748.db2.gz UQUGTWMRORTXLT-JTQLQIEISA-N -1 0 320.305 -0.468 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCC(=O)NC2CC2)cc1F ZINC000833109062 602402372 /nfs/dbraw/zinc/40/23/72/602402372.db2.gz ZMCHMRSLRCOKHB-UHFFFAOYSA-N -1 0 323.280 -0.143 20 0 DBADRM CS(=O)(=O)NCCC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000739993614 602412463 /nfs/dbraw/zinc/41/24/63/602412463.db2.gz DHUUIZUMAMZCNG-SECBINFHSA-N -1 0 307.372 -0.568 20 0 DBADRM Cn1c(=O)ccn(Cc2nc(C3(NC(=O)[O-])CCC3)no2)c1=O ZINC000740275182 602417711 /nfs/dbraw/zinc/41/77/11/602417711.db2.gz JPUXWDOXMWUHST-UHFFFAOYSA-N -1 0 321.293 -0.375 20 0 DBADRM CC(C)N(CCCNC(=O)N1CCO[C@H](C(N)=O)C1)C(=O)[O-] ZINC000738848014 602423434 /nfs/dbraw/zinc/42/34/34/602423434.db2.gz HKGFKQQLKJPWOK-JTQLQIEISA-N -1 0 316.358 -0.339 20 0 DBADRM C[C@@](CNC(=O)[O-])(NC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000738921183 602427513 /nfs/dbraw/zinc/42/75/13/602427513.db2.gz SGCMCVKTDUWNTQ-PELKAZGASA-N -1 0 304.368 -0.026 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000739474505 602433979 /nfs/dbraw/zinc/43/39/79/602433979.db2.gz GOXGJVDGNQCLRX-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM CCN(CCNC(=O)NC[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739430284 602437972 /nfs/dbraw/zinc/43/79/72/602437972.db2.gz FVHJXGMSDVTXBZ-VIFPVBQESA-N -1 0 307.372 -0.280 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)CCCNC(=O)[O-])C1 ZINC000739192555 602438553 /nfs/dbraw/zinc/43/85/53/602438553.db2.gz LJGQZUSRLYTYHL-SECBINFHSA-N -1 0 307.372 -0.439 20 0 DBADRM CN(CCNC(=O)NCCN1C(=O)CSC1=O)C(=O)[O-] ZINC000739692892 602441566 /nfs/dbraw/zinc/44/15/66/602441566.db2.gz QHEAPADYAWHGIS-UHFFFAOYSA-N -1 0 304.328 -0.409 20 0 DBADRM CN(CCNC(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000739692219 602442671 /nfs/dbraw/zinc/44/26/71/602442671.db2.gz NVNJHGIGXUFECD-UHFFFAOYSA-N -1 0 308.342 -0.082 20 0 DBADRM O=C([O-])NC[C@H]1CCCCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC000740625078 602450290 /nfs/dbraw/zinc/45/02/90/602450290.db2.gz UBIDPIIHOJQCIB-SNVBAGLBSA-N -1 0 324.337 -0.425 20 0 DBADRM COC1(C(=O)N2CCC[C@@H](C(N)=O)C2)CCN(C(=O)[O-])CC1 ZINC000739799287 602454275 /nfs/dbraw/zinc/45/42/75/602454275.db2.gz RSYSOWRTFVJDHG-SNVBAGLBSA-N -1 0 313.354 -0.131 20 0 DBADRM CN(CCCNC(=O)Cn1cnc2c1ncnc2N)C(=O)[O-] ZINC000739671545 602457346 /nfs/dbraw/zinc/45/73/46/602457346.db2.gz ZAEHYEIPWDRUIY-UHFFFAOYSA-N -1 0 307.314 -0.475 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)[C@H]2CCCN2C(=O)[O-])CC1 ZINC000738525808 602459535 /nfs/dbraw/zinc/45/95/35/602459535.db2.gz ZODPIILUGBCFIY-GFCCVEGCSA-N -1 0 312.370 -0.591 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739037277 602459722 /nfs/dbraw/zinc/45/97/22/602459722.db2.gz GYEXAOPUXDLFPC-IUCAKERBSA-N -1 0 321.399 -0.181 20 0 DBADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC000739037275 602459799 /nfs/dbraw/zinc/45/97/99/602459799.db2.gz GYEXAOPUXDLFPC-BDAKNGLRSA-N -1 0 321.399 -0.181 20 0 DBADRM COC(=O)CNC(=O)CN1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000739762427 602464716 /nfs/dbraw/zinc/46/47/16/602464716.db2.gz PQPHNYYOGNFCML-SECBINFHSA-N -1 0 301.343 -0.356 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000738926322 602468772 /nfs/dbraw/zinc/46/87/72/602468772.db2.gz CLXRKZFLDQOYBY-ZETCQYMHSA-N -1 0 300.315 -0.569 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000739072177 602469526 /nfs/dbraw/zinc/46/95/26/602469526.db2.gz BAXHNECWERQFNF-XPTSAGLGSA-N -1 0 324.337 -0.425 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000740390541 602474304 /nfs/dbraw/zinc/47/43/04/602474304.db2.gz KNQMHMMFKBSHRL-SECBINFHSA-N -1 0 317.305 -0.340 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739990545 602477397 /nfs/dbraw/zinc/47/73/97/602477397.db2.gz HANVWAXDHQXBFA-ZJUUUORDSA-N -1 0 319.383 -0.331 20 0 DBADRM CN(C[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000739655129 602480313 /nfs/dbraw/zinc/48/03/13/602480313.db2.gz ZAXJPQGSWHBWTH-NXEZZACHSA-N -1 0 304.368 -0.121 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000739655135 602480336 /nfs/dbraw/zinc/48/03/36/602480336.db2.gz ZAXJPQGSWHBWTH-VHSXEESVSA-N -1 0 304.368 -0.121 20 0 DBADRM COCCn1cc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)ccc1=O ZINC000739840731 602480341 /nfs/dbraw/zinc/48/03/41/602480341.db2.gz RAVMYSNICJAYRS-NSHDSACASA-N -1 0 309.322 -0.023 20 0 DBADRM NC(=O)C1(CNC(=O)[C@@H]2CCCCN2C(=O)[O-])CCOCC1 ZINC000740323500 602499379 /nfs/dbraw/zinc/49/93/79/602499379.db2.gz BZHQKNYAOZTRFB-JTQLQIEISA-N -1 0 313.354 -0.083 20 0 DBADRM C[C@@](CNC(=O)[O-])(NC(=O)CCNS(C)(=O)=O)C1CC1 ZINC000738923195 602507022 /nfs/dbraw/zinc/50/70/22/602507022.db2.gz FHOGCZSFFYTJFZ-NSHDSACASA-N -1 0 307.372 -0.522 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000738858158 602507812 /nfs/dbraw/zinc/50/78/12/602507812.db2.gz CFIMETVKQPAKOW-SNVBAGLBSA-N -1 0 321.399 -0.037 20 0 DBADRM O=C([O-])NCC1(NC(=O)CN2CCCS2(=O)=O)CCCC1 ZINC000740615568 602518898 /nfs/dbraw/zinc/51/88/98/602518898.db2.gz FOZHDQIHYZRDSM-UHFFFAOYSA-N -1 0 319.383 -0.282 20 0 DBADRM CCC(CC)(CNC(=O)[O-])NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000739249014 602522001 /nfs/dbraw/zinc/52/20/01/602522001.db2.gz DTACJQKGSIAREX-QMMMGPOBSA-N -1 0 314.342 -0.083 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000738803188 602529977 /nfs/dbraw/zinc/52/99/77/602529977.db2.gz CUVSDDLLUUFBMW-IUCAKERBSA-N -1 0 314.342 -0.227 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)c2cnc3n(c2=O)CCS3)C1 ZINC000740404922 602534972 /nfs/dbraw/zinc/53/49/72/602534972.db2.gz XOWSMSWYJJHRBL-ZETCQYMHSA-N -1 0 310.335 -0.169 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)s1 ZINC000740341334 602537191 /nfs/dbraw/zinc/53/71/91/602537191.db2.gz QHCRUDBDDHYJLM-LURJTMIESA-N -1 0 319.364 -0.122 20 0 DBADRM C[C@@H](NC(=O)COC(=O)[C@@H]1CCCN1C(=O)[O-])C(=O)N(C)C ZINC000738964885 602539941 /nfs/dbraw/zinc/53/99/41/602539941.db2.gz GBMPCFSOLOCLGC-BDAKNGLRSA-N -1 0 315.326 -0.735 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCC[C@H](NC(=O)[O-])C1 ZINC000737863752 602549479 /nfs/dbraw/zinc/54/94/79/602549479.db2.gz ZHJOBSZKYMEQFA-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM O=C([O-])N(CCNC(=O)N1CCS(=O)(=O)CC1)C1CC1 ZINC000740436470 602562901 /nfs/dbraw/zinc/56/29/01/602562901.db2.gz GIYKKUPOZPFRDN-UHFFFAOYSA-N -1 0 305.356 -0.431 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)N1CCOCC1 ZINC000739683962 602553286 /nfs/dbraw/zinc/55/32/86/602553286.db2.gz BOLWMBQAEKTXDI-UHFFFAOYSA-N -1 0 300.359 -0.334 20 0 DBADRM CN1CCO[C@@H](CNC(=O)N2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000738019811 602554541 /nfs/dbraw/zinc/55/45/41/602554541.db2.gz AIQYLEUVXAOAHY-QWRGUYRKSA-N -1 0 300.359 -0.241 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)CC(=O)NCC(=O)N1CCCC1 ZINC000738939146 602554673 /nfs/dbraw/zinc/55/46/73/602554673.db2.gz MSTRVORWTKTJCA-SNVBAGLBSA-N -1 0 300.359 -0.687 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCN(C(=O)[O-])C[C@@H]1C ZINC000739475748 602554832 /nfs/dbraw/zinc/55/48/32/602554832.db2.gz MSAYWTMGYDWEDN-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM COCCN(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739814581 602563790 /nfs/dbraw/zinc/56/37/90/602563790.db2.gz UFIPHSMSOSGDTN-JTQLQIEISA-N -1 0 309.388 -0.211 20 0 DBADRM COCCCS(=O)(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739810729 602562936 /nfs/dbraw/zinc/56/29/36/602562936.db2.gz ANGSZDGPPSVYHJ-UHFFFAOYSA-N -1 0 309.388 -0.762 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)NC1CCN(CC(N)=O)CC1 ZINC000739309496 602564592 /nfs/dbraw/zinc/56/45/92/602564592.db2.gz DOETVFWPQKAAHT-JTQLQIEISA-N -1 0 300.359 -0.511 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)NC)CC1 ZINC000739309535 602566946 /nfs/dbraw/zinc/56/69/46/602566946.db2.gz GUCAFCRQGFKKAB-JTQLQIEISA-N -1 0 300.359 -0.687 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNC(=S)NCCN1CCOCC1 ZINC000740519918 602567094 /nfs/dbraw/zinc/56/70/94/602567094.db2.gz JLHNMIXMIMYKAR-LLVKDONJSA-N -1 0 316.427 -0.075 20 0 DBADRM CS(=O)(=O)CCNC(=S)NC[C@@H]1CCCN1C(=O)[O-] ZINC000739981806 602567255 /nfs/dbraw/zinc/56/72/55/602567255.db2.gz BVMICELERKDMNT-QMMMGPOBSA-N -1 0 309.413 -0.363 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740336809 602567959 /nfs/dbraw/zinc/56/79/59/602567959.db2.gz PMFCHHQJOKPXRF-SECBINFHSA-N -1 0 313.335 -0.184 20 0 DBADRM COC(=O)NCCCC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739772739 602569884 /nfs/dbraw/zinc/56/98/84/602569884.db2.gz KGSJVYGKGVHSQO-UHFFFAOYSA-N -1 0 316.358 -0.466 20 0 DBADRM COC(=O)NCCC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739773391 602569954 /nfs/dbraw/zinc/56/99/54/602569954.db2.gz PPUAIIAMZRCKPJ-UHFFFAOYSA-N -1 0 302.331 -0.856 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])CCO1 ZINC000740327221 602571911 /nfs/dbraw/zinc/57/19/11/602571911.db2.gz LAUGJOMBDXHPJO-VXGBXAGGSA-N -1 0 321.333 -0.422 20 0 DBADRM CCN(CCNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739422209 602573527 /nfs/dbraw/zinc/57/35/27/602573527.db2.gz YUFKWZVEAYIHGE-JTQLQIEISA-N -1 0 321.399 -0.779 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739041206 602574493 /nfs/dbraw/zinc/57/44/93/602574493.db2.gz ZZYMTPYVQAIDQC-DTWKUNHWSA-N -1 0 307.372 -0.618 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739041208 602574755 /nfs/dbraw/zinc/57/47/55/602574755.db2.gz ZZYMTPYVQAIDQC-IUCAKERBSA-N -1 0 307.372 -0.618 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000738854152 602577237 /nfs/dbraw/zinc/57/72/37/602577237.db2.gz ALWLLTFZNCXXGN-NSHDSACASA-N -1 0 314.386 -0.299 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NCCC(=O)N2CCOCC2)C1 ZINC000740417337 602580979 /nfs/dbraw/zinc/58/09/79/602580979.db2.gz ONTOOUAMDGEKAJ-SNVBAGLBSA-N -1 0 314.342 -0.713 20 0 DBADRM CN(CCCNC(=O)N[C@@H]1CCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000739671171 602586632 /nfs/dbraw/zinc/58/66/32/602586632.db2.gz WDLUTOXWCKDQDM-SECBINFHSA-N -1 0 322.387 -0.681 20 0 DBADRM O=C(CN1CCCS1(=O)=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000740370134 602587858 /nfs/dbraw/zinc/58/78/58/602587858.db2.gz WLXOQZVRPJPHKW-VIFPVBQESA-N -1 0 305.356 -0.720 20 0 DBADRM Cn1nnnc1N1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000740305786 602591210 /nfs/dbraw/zinc/59/12/10/602591210.db2.gz XVUCGDLHPGWVMJ-JTQLQIEISA-N -1 0 323.357 -0.751 20 0 DBADRM Cn1c(NC[C@@H]2CCCN2C(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000740282451 602591239 /nfs/dbraw/zinc/59/12/39/602591239.db2.gz NOXPTAHQISRGRB-ZETCQYMHSA-N -1 0 322.325 -0.073 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740342141 602596398 /nfs/dbraw/zinc/59/63/98/602596398.db2.gz YWFYFUPJALUUNO-VIFPVBQESA-N -1 0 313.335 -0.184 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)NCCN1CCOCC1 ZINC000740442254 602596617 /nfs/dbraw/zinc/59/66/17/602596617.db2.gz VBMVHQSORALCKC-LLVKDONJSA-N -1 0 300.359 -0.240 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000740416310 602611639 /nfs/dbraw/zinc/61/16/39/602611639.db2.gz IIKZNAUXMNXCBJ-DTWKUNHWSA-N -1 0 305.356 -0.385 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)NCCNS(C)(=O)=O)C1)C(=O)[O-] ZINC000739651096 602614496 /nfs/dbraw/zinc/61/44/96/602614496.db2.gz SFBBJFYVFSXFGT-VIFPVBQESA-N -1 0 322.387 -0.823 20 0 DBADRM C[C@@H](CNC(=O)N[C@@H]1CCN(C(=O)[O-])C1)N1CCOCC1 ZINC000738917119 602615873 /nfs/dbraw/zinc/61/58/73/602615873.db2.gz BUUALRJFMRXGMA-WDEREUQCSA-N -1 0 300.359 -0.241 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CCO1 ZINC000740329967 602616337 /nfs/dbraw/zinc/61/63/37/602616337.db2.gz ZQVKHNINMBXVPE-DTWKUNHWSA-N -1 0 300.315 -0.976 20 0 DBADRM CN(CCCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(=O)[O-] ZINC000739734842 602618072 /nfs/dbraw/zinc/61/80/72/602618072.db2.gz NPSGHDOWTLBNNR-LLVKDONJSA-N -1 0 301.391 -0.469 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NCCS(=O)(=O)NC2CC2)C1 ZINC000740444720 602618199 /nfs/dbraw/zinc/61/81/99/602618199.db2.gz SZLSVXIOTOHWMJ-SECBINFHSA-N -1 0 320.371 -0.880 20 0 DBADRM C[C@@H]1CN(CCNC(=O)N[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739183822 602625099 /nfs/dbraw/zinc/62/50/99/602625099.db2.gz TXXKINYPQKZIOQ-MNOVXSKESA-N -1 0 300.359 -0.241 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CCN(C(=O)[O-])C1)CC2 ZINC000740231141 602627299 /nfs/dbraw/zinc/62/72/99/602627299.db2.gz GVYHFBZILLWBGQ-UWVGGRQHSA-N -1 0 308.342 -0.047 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NCCCN2CCOC2=O)C1 ZINC000740428068 602628328 /nfs/dbraw/zinc/62/83/28/602628328.db2.gz LDWWTCNCDRNUHW-VIFPVBQESA-N -1 0 300.315 -0.120 20 0 DBADRM CCOCCN1CCN(C(=O)NCCN(C)C(=O)[O-])CC1 ZINC000739486709 602629103 /nfs/dbraw/zinc/62/91/03/602629103.db2.gz HMSRCUZXZSYAJK-UHFFFAOYSA-N -1 0 302.375 -0.040 20 0 DBADRM CCN(C(=O)NCCN(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739380254 602632549 /nfs/dbraw/zinc/63/25/49/602632549.db2.gz IPWQWVPDEFYYAD-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)N1CCN(C(=O)[O-])CC1 ZINC000736823971 602633952 /nfs/dbraw/zinc/63/39/52/602633952.db2.gz ZOKISCGWVUSPOZ-NSHDSACASA-N -1 0 300.359 -0.288 20 0 DBADRM CCN(CCNC(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000739430260 602635171 /nfs/dbraw/zinc/63/51/71/602635171.db2.gz TUCVMYZEAGVTPP-UHFFFAOYSA-N -1 0 322.387 -0.727 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000739288199 602639670 /nfs/dbraw/zinc/63/96/70/602639670.db2.gz PCPVXYQYBWMZHA-ZDUSSCGKSA-N -1 0 314.342 -0.129 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000739242531 602639699 /nfs/dbraw/zinc/63/96/99/602639699.db2.gz UPZYIDJYRASXGJ-PSASIEDQSA-N -1 0 314.342 -0.273 20 0 DBADRM O=C([O-])N1CCCC[C@H]1C(=O)NCCCN1C(=O)CNC1=O ZINC000740431545 602640106 /nfs/dbraw/zinc/64/01/06/602640106.db2.gz REFYRZMXHLYAPN-VIFPVBQESA-N -1 0 312.326 -0.423 20 0 DBADRM CN(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000739618288 602647494 /nfs/dbraw/zinc/64/74/94/602647494.db2.gz VLKWTFVGCCMZAV-SNVBAGLBSA-N -1 0 321.337 -0.045 20 0 DBADRM COC(=O)CNC(=O)COC(=O)C1(NC(=O)[O-])CCCC1 ZINC000739763569 602652360 /nfs/dbraw/zinc/65/23/60/602652360.db2.gz VKKYXWVLWGMIRF-UHFFFAOYSA-N -1 0 302.283 -0.601 20 0 DBADRM CN(CCOC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000738003565 602659582 /nfs/dbraw/zinc/65/95/82/602659582.db2.gz XTNMXRRXTNFAGS-UHFFFAOYSA-N -1 0 306.278 -0.056 20 0 DBADRM C[C@H](OC(=O)C1CCN(C(=O)[O-])CC1)C(=O)N1CCNC1=O ZINC000737709794 602659777 /nfs/dbraw/zinc/65/97/77/602659777.db2.gz WGNCRECCQAORPW-QMMMGPOBSA-N -1 0 313.310 -0.140 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCN(c2cnccn2)CC1 ZINC000740669116 602660511 /nfs/dbraw/zinc/66/05/11/602660511.db2.gz YLGHTIOMJWVTLH-UHFFFAOYSA-N -1 0 309.326 -0.591 20 0 DBADRM Cc1cnn(C[C@@H]2CN(C(=O)NCCNC(=O)[O-])CCO2)c1 ZINC000740201689 602673321 /nfs/dbraw/zinc/67/33/21/602673321.db2.gz WEUWQUJBERBXOT-NSHDSACASA-N -1 0 311.342 -0.130 20 0 DBADRM Cn1cc(CN2CCN(C(=O)NCCNC(=O)[O-])CC2)cn1 ZINC000740292222 602680800 /nfs/dbraw/zinc/68/08/00/602680800.db2.gz SUNKZLOFTBQKJC-UHFFFAOYSA-N -1 0 310.358 -0.485 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000738758520 602683128 /nfs/dbraw/zinc/68/31/28/602683128.db2.gz YJNTWJLMRSTROL-SNVBAGLBSA-N -1 0 317.411 -0.046 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)CC2CCN(C(=O)[O-])CC2)C1 ZINC000740341563 602690196 /nfs/dbraw/zinc/69/01/96/602690196.db2.gz KYAGFGCYVIFUDP-JTQLQIEISA-N -1 0 319.383 -0.344 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000738949463 602691340 /nfs/dbraw/zinc/69/13/40/602691340.db2.gz KPTDKPXBVNTZTI-IUCAKERBSA-N -1 0 307.372 -0.187 20 0 DBADRM C[C@](O)(CNC(=O)NCCN1CCN(C(=O)[O-])CC1)C1CC1 ZINC000739037262 602692880 /nfs/dbraw/zinc/69/28/80/602692880.db2.gz MBISARPPYGNBDJ-AWEZNQCLSA-N -1 0 314.386 -0.258 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000740583260 602700902 /nfs/dbraw/zinc/70/09/02/602700902.db2.gz USCADDRGXKXLRR-ZYTOWTHASA-N -1 0 324.337 -0.377 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)NCCS(=O)(=O)NCC ZINC000739287017 602728560 /nfs/dbraw/zinc/72/85/60/602728560.db2.gz HLYRWKUQMSLZBY-NSHDSACASA-N -1 0 309.388 -0.132 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cc1nc2ncccn2n1 ZINC000739150308 602720352 /nfs/dbraw/zinc/72/03/52/602720352.db2.gz VACBUWDKBPJEAF-SECBINFHSA-N -1 0 304.310 -0.123 20 0 DBADRM COCCN1C[C@H](C(=O)N2CCN(C(=O)[O-])C[C@@H]2C)CC1=O ZINC000739830529 602720761 /nfs/dbraw/zinc/72/07/61/602720761.db2.gz VGZDRWNCOSWAIP-WDEREUQCSA-N -1 0 313.354 -0.308 20 0 DBADRM COCCN1C[C@H](C(=O)N2CCN(C(=O)[O-])C[C@H]2C)CC1=O ZINC000739830524 602720791 /nfs/dbraw/zinc/72/07/91/602720791.db2.gz VGZDRWNCOSWAIP-GHMZBOCLSA-N -1 0 313.354 -0.308 20 0 DBADRM O=C([O-])NCc1nc(C(=O)N2CCN(CCO)CC2)cs1 ZINC000740681885 602721819 /nfs/dbraw/zinc/72/18/19/602721819.db2.gz KGJZCRMAFVTDKO-UHFFFAOYSA-N -1 0 314.367 -0.339 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCSc1nnnn1C ZINC000739149946 602722306 /nfs/dbraw/zinc/72/23/06/602722306.db2.gz QXCCCWRPKCLOHS-QMMMGPOBSA-N -1 0 314.371 -0.097 20 0 DBADRM CN(CC(=O)NCCS(=O)(=O)NCC1CCC1)C(=O)[O-] ZINC000737395517 602728986 /nfs/dbraw/zinc/72/89/86/602728986.db2.gz XTLMNCPTTPNTMP-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000738855081 602730208 /nfs/dbraw/zinc/73/02/08/602730208.db2.gz JLSKALJBJRBKLQ-LLVKDONJSA-N -1 0 314.386 -0.347 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000739530924 602733226 /nfs/dbraw/zinc/73/32/26/602733226.db2.gz PKIVSXKHMNZOMR-NSHDSACASA-N -1 0 314.386 -0.299 20 0 DBADRM C[C@@H](NC(=O)CN1CCN(C(=O)[O-])C[C@@H]1C)C(=O)N(C)C ZINC000738960097 602737659 /nfs/dbraw/zinc/73/76/59/602737659.db2.gz FWUZCJPPHSFHTB-VHSXEESVSA-N -1 0 300.359 -0.737 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000739151695 602746012 /nfs/dbraw/zinc/74/60/12/602746012.db2.gz IERXSDJCVJTMMX-ZJUUUORDSA-N -1 0 319.383 -0.185 20 0 DBADRM CN(CC(=O)OC[C@H]1CCCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000739630617 602747774 /nfs/dbraw/zinc/74/77/74/602747774.db2.gz HCSMIPDNOZJNGJ-VIFPVBQESA-N -1 0 308.356 -0.189 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NCCN(CC)C(=O)[O-] ZINC000739464566 602749695 /nfs/dbraw/zinc/74/96/95/602749695.db2.gz GMOCDGSCVCGRFE-UHFFFAOYSA-N -1 0 310.376 -0.775 20 0 DBADRM CC(C)(CNC(=O)N1CCN(C(=O)[O-])CC1)NS(C)(=O)=O ZINC000736322517 602750184 /nfs/dbraw/zinc/75/01/84/602750184.db2.gz ZRRLXIKTRRBVCM-UHFFFAOYSA-N -1 0 322.387 -0.681 20 0 DBADRM CCCNC(=O)CCC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739369125 602750358 /nfs/dbraw/zinc/75/03/58/602750358.db2.gz ZSLFDQDQAPCTSL-UHFFFAOYSA-N -1 0 314.386 -0.295 20 0 DBADRM O=C([O-])NCC(=O)OCC(=O)NCC(=O)c1cccs1 ZINC000739936729 602751153 /nfs/dbraw/zinc/75/11/53/602751153.db2.gz RXVSIDUCMVCDES-UHFFFAOYSA-N -1 0 300.292 -0.142 20 0 DBADRM C[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H](C)N1C(=O)[O-] ZINC000739137828 602752269 /nfs/dbraw/zinc/75/22/69/602752269.db2.gz VGJRKUPBJGENRS-UWVGGRQHSA-N -1 0 324.337 -0.854 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000739837885 602752625 /nfs/dbraw/zinc/75/26/25/602752625.db2.gz NYIPTELBCXIDNC-NXEZZACHSA-N -1 0 322.383 -0.353 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)CN1CCC(=O)NC1=O ZINC000740624220 602768017 /nfs/dbraw/zinc/76/80/17/602768017.db2.gz TVBLVEITUVYXDL-IUCAKERBSA-N -1 0 312.326 -0.519 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739760579 602769060 /nfs/dbraw/zinc/76/90/60/602769060.db2.gz HLJYRBQNMKJHRM-LPEHRKFASA-N -1 0 301.343 -0.358 20 0 DBADRM C[C@H](NC(=O)CN1CC[C@@H](NC(=O)[O-])[C@H](C)C1)C(=O)N(C)C ZINC000738961251 602789558 /nfs/dbraw/zinc/78/95/58/602789558.db2.gz LZHQVRRPPWZXKK-OUAUKWLOSA-N -1 0 314.386 -0.443 20 0 DBADRM CC(C)[C@H](CNC(=O)NCCN1CCOCC1)NC(=O)[O-] ZINC000738782193 602794131 /nfs/dbraw/zinc/79/41/31/602794131.db2.gz OYTNTNFMKZGGLJ-NSHDSACASA-N -1 0 302.375 -0.090 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCCNS(C)(=O)=O)NC(=O)[O-] ZINC000738780657 602794349 /nfs/dbraw/zinc/79/43/49/602794349.db2.gz GNNPYURICXTXQA-MRVPVSSYSA-N -1 0 310.376 -0.873 20 0 DBADRM CN1C(=O)N[C@@]2(CCN(C(=O)C[C@@H]3CCCN3C(=O)[O-])C2)C1=O ZINC000828446326 602794990 /nfs/dbraw/zinc/79/49/90/602794990.db2.gz VMTKRLBOPJHTQE-LKFCYVNXSA-N -1 0 324.337 -0.328 20 0 DBADRM CN1C(=O)N[C@@]2(CCN(C(=O)CN(CC3CC3)C(=O)[O-])C2)C1=O ZINC000828445918 602795031 /nfs/dbraw/zinc/79/50/31/602795031.db2.gz QITXDDBOHRFVNN-CQSZACIVSA-N -1 0 324.337 -0.471 20 0 DBADRM NC(=O)Cn1cc(C(=O)NCC2(NC(=O)[O-])CCCCC2)nn1 ZINC000831199907 602799983 /nfs/dbraw/zinc/79/99/83/602799983.db2.gz MMCCSZCMUSFDRO-UHFFFAOYSA-N -1 0 324.341 -0.536 20 0 DBADRM C[C@@H](CCNS(=O)(=O)CCCS(C)(=O)=O)NC(=O)[O-] ZINC000738907356 602800645 /nfs/dbraw/zinc/80/06/45/602800645.db2.gz SASJKPPVCMAOOR-QMMMGPOBSA-N -1 0 316.401 -0.613 20 0 DBADRM CC(C)[C@@H](CNC(=O)NC[C@@H]1CN(C)CCO1)NC(=O)[O-] ZINC000738787219 602802078 /nfs/dbraw/zinc/80/20/78/602802078.db2.gz MUJBQFAEOLELBY-GHMZBOCLSA-N -1 0 302.375 -0.092 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NC[C@H](NC(=O)[O-])C(C)C ZINC000739515454 602803298 /nfs/dbraw/zinc/80/32/98/602803298.db2.gz MSSNJNUYZDIJSQ-VIFPVBQESA-N -1 0 324.403 -0.483 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CC[C@H](CNC(=O)[O-])C2)S1 ZINC000831238901 602803784 /nfs/dbraw/zinc/80/37/84/602803784.db2.gz ASMFOHQBOPKRDW-RNFRBKRXSA-N -1 0 300.340 -0.341 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CC[C@H](CNC(=O)[O-])C2)S1 ZINC000831238902 602803933 /nfs/dbraw/zinc/80/39/33/602803933.db2.gz ASMFOHQBOPKRDW-RQJHMYQMSA-N -1 0 300.340 -0.341 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000738764282 602826839 /nfs/dbraw/zinc/82/68/39/602826839.db2.gz MVJKQWWDOUYWMB-LLVKDONJSA-N -1 0 313.354 -0.308 20 0 DBADRM NC(=O)[C@@H]1CCCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1 ZINC000740327713 602827009 /nfs/dbraw/zinc/82/70/09/602827009.db2.gz OSWHKAGQZZNPCU-GHMZBOCLSA-N -1 0 313.354 -0.131 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000740340648 602828483 /nfs/dbraw/zinc/82/84/83/602828483.db2.gz HPMNOSFUXGYUBB-LLVKDONJSA-N -1 0 311.338 -0.554 20 0 DBADRM CCCNC(=O)CNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739366081 602829271 /nfs/dbraw/zinc/82/92/71/602829271.db2.gz KMMUSDFTSRLHPO-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM CC(C)(CCC(=O)N1CCN(S(N)(=O)=O)CC1)NC(=O)[O-] ZINC000738743994 602830512 /nfs/dbraw/zinc/83/05/12/602830512.db2.gz QLNKZKQFRMRWQG-UHFFFAOYSA-N -1 0 322.387 -0.840 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000828684622 602831474 /nfs/dbraw/zinc/83/14/74/602831474.db2.gz YRBMPHSWXHFJLK-SECBINFHSA-N -1 0 316.310 -0.307 20 0 DBADRM CN(CCNC(=O)N(C)C[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739695582 602831724 /nfs/dbraw/zinc/83/17/24/602831724.db2.gz VSAJSOZOTKCJAY-SECBINFHSA-N -1 0 307.372 -0.328 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCNC(=O)c1ccco1 ZINC000740439252 602836461 /nfs/dbraw/zinc/83/64/61/602836461.db2.gz JCRJKRJSWOIDNV-SECBINFHSA-N -1 0 311.294 -0.496 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739720707 602836783 /nfs/dbraw/zinc/83/67/83/602836783.db2.gz CISSWTZGNUVZCW-SECBINFHSA-N -1 0 309.326 -0.439 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCN(c2cnccn2)CC1 ZINC000740353936 602840895 /nfs/dbraw/zinc/84/08/95/602840895.db2.gz ZKHLOEIBQLQZDI-LLVKDONJSA-N -1 0 321.337 -0.496 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCN(c2cnccn2)CC1 ZINC000740353937 602840901 /nfs/dbraw/zinc/84/09/01/602840901.db2.gz ZKHLOEIBQLQZDI-NSHDSACASA-N -1 0 321.337 -0.496 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1COCCN1C(=O)[O-])N1CCOCC1 ZINC000738912627 602841852 /nfs/dbraw/zinc/84/18/52/602841852.db2.gz CYUJGNXRCSYOAT-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739599191 602843267 /nfs/dbraw/zinc/84/32/67/602843267.db2.gz GYFQLECKLRTMGX-JTQLQIEISA-N -1 0 314.342 -0.809 20 0 DBADRM CCN(CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C(=O)[O-] ZINC000739425637 602847811 /nfs/dbraw/zinc/84/78/11/602847811.db2.gz XUPIRFTZTUPXSR-VIFPVBQESA-N -1 0 309.388 -0.324 20 0 DBADRM COC1(C(=O)N(C)[C@H]2CCN(C)C2=O)CCN(C(=O)[O-])CC1 ZINC000739799108 602850370 /nfs/dbraw/zinc/85/03/70/602850370.db2.gz RSAHEOKTVUADNA-JTQLQIEISA-N -1 0 313.354 -0.166 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)NCCN1C(=O)CNC1=O ZINC000739235615 602850844 /nfs/dbraw/zinc/85/08/44/602850844.db2.gz JAPDOIUCLBJNOJ-IONNQARKSA-N -1 0 300.315 -0.663 20 0 DBADRM COCCN(CC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000739816727 602852865 /nfs/dbraw/zinc/85/28/65/602852865.db2.gz ALMWWPOBAONKCA-ZJUUUORDSA-N -1 0 301.343 -0.227 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)COCCNC(=O)[O-] ZINC000738649133 602852901 /nfs/dbraw/zinc/85/29/01/602852901.db2.gz AFSHMMYZOBEJJC-BDAKNGLRSA-N -1 0 310.372 -0.449 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](NC(=O)[O-])C(C)C)C1 ZINC000737553601 602854368 /nfs/dbraw/zinc/85/43/68/602854368.db2.gz UCBXWXHBPBQYIK-NXEZZACHSA-N -1 0 321.399 -0.181 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2O)CC1 ZINC000740334615 602855302 /nfs/dbraw/zinc/85/53/02/602855302.db2.gz PXBHUHOUBGRYLT-UHFFFAOYSA-N -1 0 322.321 -0.275 20 0 DBADRM O=C([O-])NCCOCC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000740669567 602855514 /nfs/dbraw/zinc/85/55/14/602855514.db2.gz VBIWKJWMXUAZED-UHFFFAOYSA-N -1 0 306.282 -0.115 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000740012486 602859065 /nfs/dbraw/zinc/85/90/65/602859065.db2.gz FIBLBJNBEZQMDZ-YUMQZZPRSA-N -1 0 312.413 -0.075 20 0 DBADRM CN(C[C@H]1CCCN(CN2C(=O)C(=O)N(C)C2=O)C1)C(=O)[O-] ZINC000739636731 602859402 /nfs/dbraw/zinc/85/94/02/602859402.db2.gz MARLDTBEDHRUTB-SECBINFHSA-N -1 0 312.326 -0.314 20 0 DBADRM C[C@@H](NC(=O)[C@H]1COCCN1C(=O)[O-])c1nnc2n1CCC2 ZINC000738959427 602859845 /nfs/dbraw/zinc/85/98/45/602859845.db2.gz RXEQOFYYYDHBOP-RKDXNWHRSA-N -1 0 309.326 -0.220 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000739684238 602867965 /nfs/dbraw/zinc/86/79/65/602867965.db2.gz JSLBMXQQUNTCDB-LLVKDONJSA-N -1 0 305.400 -0.599 20 0 DBADRM CCNC(=O)NC(=O)CN(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739465414 602869936 /nfs/dbraw/zinc/86/99/36/602869936.db2.gz SNBMSNUFEATYQP-UHFFFAOYSA-N -1 0 315.374 -0.941 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739475085 602870798 /nfs/dbraw/zinc/87/07/98/602870798.db2.gz JDCKGDUGDROIEO-SECBINFHSA-N -1 0 308.356 -0.141 20 0 DBADRM CN1CCO[C@@H](CNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1 ZINC000739745950 602871522 /nfs/dbraw/zinc/87/15/22/602871522.db2.gz YLCMLPFHKCWIAC-NEPJUHHUSA-N -1 0 315.370 -0.408 20 0 DBADRM CC(C)n1nnnc1CN(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738891829 602874748 /nfs/dbraw/zinc/87/47/48/602874748.db2.gz RZDBTKQOZLVTDT-UHFFFAOYSA-N -1 0 311.390 -0.019 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739739825 602877349 /nfs/dbraw/zinc/87/73/49/602877349.db2.gz VUNHUWRFSOTOQZ-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])CC2 ZINC000740250616 602877397 /nfs/dbraw/zinc/87/73/97/602877397.db2.gz CSWHRIQLETWGPY-ZJUUUORDSA-N -1 0 309.326 -0.604 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738758442 602877963 /nfs/dbraw/zinc/87/79/63/602877963.db2.gz UQYKCIAQACKRTL-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000825289509 602878545 /nfs/dbraw/zinc/87/85/45/602878545.db2.gz ZICXEOCJDFRVSO-QMMMGPOBSA-N -1 0 324.341 -0.728 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCC(=O)Nc1cccnc1 ZINC000740356785 602880756 /nfs/dbraw/zinc/88/07/56/602880756.db2.gz OLIMRIBCQDKTMR-LLVKDONJSA-N -1 0 322.321 -0.095 20 0 DBADRM C[C@H]1CN(C(=O)NC2CCN(C(=O)[O-])CC2)CCS1(=O)=O ZINC000736810743 602881683 /nfs/dbraw/zinc/88/16/83/602881683.db2.gz LAPUGQOQVOWNBM-VIFPVBQESA-N -1 0 319.383 -0.043 20 0 DBADRM CNC(=O)CCN(C)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739740186 602883750 /nfs/dbraw/zinc/88/37/50/602883750.db2.gz JZXSZRCVGDCFGA-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM O=C([O-])N(CC(=O)N1CC(n2cncn2)C1)C[C@H]1CCCO1 ZINC000740489830 602884316 /nfs/dbraw/zinc/88/43/16/602884316.db2.gz DQGUXWHKWZONBR-LLVKDONJSA-N -1 0 309.326 -0.180 20 0 DBADRM CC(C)[C@@H](OC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)NC(N)=O ZINC000738797396 602887319 /nfs/dbraw/zinc/88/73/19/602887319.db2.gz NMZBTKREIRBIQV-JGVFFNPUSA-N -1 0 301.299 -0.251 20 0 DBADRM CC(C)[C@H](OC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)NC(N)=O ZINC000738797398 602887473 /nfs/dbraw/zinc/88/74/73/602887473.db2.gz NMZBTKREIRBIQV-YUMQZZPRSA-N -1 0 301.299 -0.251 20 0 DBADRM O=C(C[C@@H]1CCCN1C(=O)[O-])NCCCN1C(=O)CNC1=O ZINC000831329383 602889964 /nfs/dbraw/zinc/88/99/64/602889964.db2.gz YFCUMMGYQURAPC-VIFPVBQESA-N -1 0 312.326 -0.423 20 0 DBADRM CN(C[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1)C(=O)[O-] ZINC000739642802 602889997 /nfs/dbraw/zinc/88/99/97/602889997.db2.gz YGUMXSJKBFNIOA-SECBINFHSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000739042139 602890520 /nfs/dbraw/zinc/89/05/20/602890520.db2.gz ILWMTRGLDQKINL-UWVGGRQHSA-N -1 0 300.311 -0.223 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCCN1CCCCC1=O ZINC000740433298 602893452 /nfs/dbraw/zinc/89/34/52/602893452.db2.gz MUCKLFRKALTVGF-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM C[C@@H]1CN(C(=O)NCCS(C)(=O)=O)C[C@H](C)N1C(=O)[O-] ZINC000739141370 602895325 /nfs/dbraw/zinc/89/53/25/602895325.db2.gz OSJSTHVKSMKASQ-DTORHVGOSA-N -1 0 307.372 -0.187 20 0 DBADRM O=C(COC(=O)[C@H]1CCN(C(=O)[O-])C1)NC[C@@H]1CCCO1 ZINC000740377698 602896771 /nfs/dbraw/zinc/89/67/71/602896771.db2.gz MGUHSKNZORRWFC-UWVGGRQHSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCOC[C@H]1CCOC1 ZINC000740445213 602899199 /nfs/dbraw/zinc/89/91/99/602899199.db2.gz XBOULYQSECLTMJ-WDEREUQCSA-N -1 0 302.327 -0.466 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000740348007 602901798 /nfs/dbraw/zinc/90/17/98/602901798.db2.gz KLLJNFDTGGZHEU-SNVBAGLBSA-N -1 0 321.337 -0.124 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000740349600 602902154 /nfs/dbraw/zinc/90/21/54/602902154.db2.gz NZXNYXARGQOTRB-VXGBXAGGSA-N -1 0 324.337 -0.511 20 0 DBADRM C[C@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H](C)N1C(=O)[O-] ZINC000739116876 602904665 /nfs/dbraw/zinc/90/46/65/602904665.db2.gz AVVCXNDTPWAYRI-IUCAKERBSA-N -1 0 321.399 -0.087 20 0 DBADRM Cc1cc(CNC(=O)NCCN2CCN(C(=O)[O-])CC2)[nH]n1 ZINC000740074659 602908682 /nfs/dbraw/zinc/90/86/82/602908682.db2.gz YCYGKNWOYCVDLH-UHFFFAOYSA-N -1 0 310.358 -0.187 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1COCCN1C(=O)[O-])CN1CCOCC1 ZINC000738914608 602913557 /nfs/dbraw/zinc/91/35/57/602913557.db2.gz LOCSFHDSVYPFAY-NEPJUHHUSA-N -1 0 315.370 -0.550 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCC[C@H](O)C(F)(F)F ZINC000740415033 602913580 /nfs/dbraw/zinc/91/35/80/602913580.db2.gz HGGFIJSGLWMKQP-RQJHMYQMSA-N -1 0 300.233 -0.205 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000740348758 602914938 /nfs/dbraw/zinc/91/49/38/602914938.db2.gz LZASKRHCAPSKMB-NEPJUHHUSA-N -1 0 323.353 -0.105 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2COCCN2C(=O)[O-])CCO1 ZINC000739475587 602917467 /nfs/dbraw/zinc/91/74/67/602917467.db2.gz OERGSZLZPPQPTF-UWVGGRQHSA-N -1 0 316.310 -0.844 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)[C@H]2COCCN2C(=O)[O-])CCO1 ZINC000739475584 602917519 /nfs/dbraw/zinc/91/75/19/602917519.db2.gz OERGSZLZPPQPTF-NXEZZACHSA-N -1 0 316.310 -0.844 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000740641176 602918561 /nfs/dbraw/zinc/91/85/61/602918561.db2.gz OANVQHIDHSQBMH-UWVGGRQHSA-N -1 0 308.342 -0.108 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)C1 ZINC000831244697 602919497 /nfs/dbraw/zinc/91/94/97/602919497.db2.gz BXUDITBQPHLIBE-MRVPVSSYSA-N -1 0 317.323 -0.450 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])C1 ZINC000831244612 602919599 /nfs/dbraw/zinc/91/95/99/602919599.db2.gz AONFFVLGXKRJFK-IUCAKERBSA-N -1 0 305.356 -0.592 20 0 DBADRM O=C(CN1CCS(=O)(=O)CC1)OC[C@@H]1CCCN1C(=O)[O-] ZINC000740372387 602922916 /nfs/dbraw/zinc/92/29/16/602922916.db2.gz CLTXVZCTYFWGEO-JTQLQIEISA-N -1 0 320.367 -0.598 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)CCN1C(=O)[O-] ZINC000739132040 602925154 /nfs/dbraw/zinc/92/51/54/602925154.db2.gz HMWMWLRMYRCNJL-SECBINFHSA-N -1 0 305.356 -0.767 20 0 DBADRM CC(C)(CCC(=O)O[C@H]1CC(=O)N(CC(N)=O)C1)NC(=O)[O-] ZINC000738746507 602928282 /nfs/dbraw/zinc/92/82/82/602928282.db2.gz XASFGOVXURKIDJ-QMMMGPOBSA-N -1 0 315.326 -0.558 20 0 DBADRM CC(C)[C@H](O)CNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000738798673 602933224 /nfs/dbraw/zinc/93/32/24/602933224.db2.gz VZMKNPZSFZTUMG-GFCCVEGCSA-N -1 0 316.402 -0.012 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000739840063 602933700 /nfs/dbraw/zinc/93/37/00/602933700.db2.gz ZWKMHDZXOQYIRQ-VIFPVBQESA-N -1 0 308.356 -0.742 20 0 DBADRM C[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)CCN1C(=O)[O-] ZINC000739131942 602934286 /nfs/dbraw/zinc/93/42/86/602934286.db2.gz RWAVVPNJOKIQDM-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM CN1CC[C@H](OC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)C1=O ZINC000739729338 602934668 /nfs/dbraw/zinc/93/46/68/602934668.db2.gz QKGFQKOTMZZMII-JTQLQIEISA-N -1 0 313.354 -0.166 20 0 DBADRM CC(=O)N1CCC(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000738519974 602934687 /nfs/dbraw/zinc/93/46/87/602934687.db2.gz DJSQVSCOASQFAQ-NEPJUHHUSA-N -1 0 314.338 -0.099 20 0 DBADRM CC(C)[C@H](O)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000738796221 602935703 /nfs/dbraw/zinc/93/57/03/602935703.db2.gz CHNQZXISKIIESG-LLVKDONJSA-N -1 0 302.375 -0.402 20 0 DBADRM CN(C)c1cc2c(nn1)CCN(C(=O)NCCNC(=O)[O-])C2 ZINC000739615042 602936364 /nfs/dbraw/zinc/93/63/64/602936364.db2.gz UKZISDBJZGHVFJ-UHFFFAOYSA-N -1 0 308.342 -0.122 20 0 DBADRM COCCn1nc(C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)ccc1=O ZINC000739843228 602947253 /nfs/dbraw/zinc/94/72/53/602947253.db2.gz QMGDUKVYXBESHQ-JTQLQIEISA-N -1 0 324.337 -0.286 20 0 DBADRM C[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H](C)N1C(=O)[O-] ZINC000739170508 602951739 /nfs/dbraw/zinc/95/17/39/602951739.db2.gz UJTLGWFDACRPSB-IUCAKERBSA-N -1 0 324.337 -0.703 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H](C)N1C(=O)[O-] ZINC000739137094 602955621 /nfs/dbraw/zinc/95/56/21/602955621.db2.gz TUXJZSQQEROFCZ-AEJSXWLSSA-N -1 0 319.383 -0.044 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739071448 602955671 /nfs/dbraw/zinc/95/56/71/602955671.db2.gz ALYYIWQGOFEDRY-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM NS(=O)(=O)CCNC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000740337153 602959014 /nfs/dbraw/zinc/95/90/14/602959014.db2.gz FOQRDNOARYVMFC-MRVPVSSYSA-N -1 0 308.360 -0.893 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000738948365 602964975 /nfs/dbraw/zinc/96/49/75/602964975.db2.gz GASBADGCBOZXTB-RKDXNWHRSA-N -1 0 307.372 -0.139 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2CCCCN2C(=O)[O-])C1 ZINC000739989884 602963630 /nfs/dbraw/zinc/96/36/30/602963630.db2.gz DMNJHNPUYAAXSM-VHSXEESVSA-N -1 0 319.383 -0.331 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000738948362 602964998 /nfs/dbraw/zinc/96/49/98/602964998.db2.gz GASBADGCBOZXTB-BDAKNGLRSA-N -1 0 307.372 -0.139 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)CCO1 ZINC000740327698 602975583 /nfs/dbraw/zinc/97/55/83/602975583.db2.gz OKXCEZBTSMCTLN-NXEZZACHSA-N -1 0 314.342 -0.585 20 0 DBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC000740657424 602976849 /nfs/dbraw/zinc/97/68/49/602976849.db2.gz BBMZBYNNYSYKLS-JTQLQIEISA-N -1 0 323.353 -0.425 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000738951825 602979923 /nfs/dbraw/zinc/97/99/23/602979923.db2.gz QBXCXKVFONCVEH-BDAKNGLRSA-N -1 0 307.372 -0.187 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCN(C(=O)[O-])CC1 ZINC000737220166 602979937 /nfs/dbraw/zinc/97/99/37/602979937.db2.gz HQKTUSOPXVQDRX-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM CC[C@@H]1CO[C@H](C)CN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739280807 602984504 /nfs/dbraw/zinc/98/45/04/602984504.db2.gz TWIXGRWOXUXWCK-GHMZBOCLSA-N -1 0 313.354 -0.166 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])C[C@@H]1C ZINC000739044912 602985498 /nfs/dbraw/zinc/98/54/98/602985498.db2.gz IPUSAMVRTFEPKG-GARJFASQSA-N -1 0 317.411 -0.047 20 0 DBADRM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC000740625638 602993495 /nfs/dbraw/zinc/99/34/95/602993495.db2.gz LPDPQASNOQHANC-IUCAKERBSA-N -1 0 312.326 -0.519 20 0 DBADRM CC[C@](C)(NC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)OC ZINC000739219973 602997683 /nfs/dbraw/zinc/99/76/83/602997683.db2.gz SXGHVQCJXRLADP-ZDUSSCGKSA-N -1 0 315.326 -0.734 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCCCn2ccnc2)C(=O)C1 ZINC000740367336 603012176 /nfs/dbraw/zinc/01/21/76/603012176.db2.gz FSTSLVCAKJZKJO-UHFFFAOYSA-N -1 0 309.326 -0.788 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)CC(C)(C)NC(=O)[O-])CC1 ZINC000739597168 603013088 /nfs/dbraw/zinc/01/30/88/603013088.db2.gz XLXCPMWUQNQQKE-UHFFFAOYSA-N -1 0 314.386 -0.345 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@H](NC(=O)[O-])C(C)C)CCO1 ZINC000736147184 603014121 /nfs/dbraw/zinc/01/41/21/603014121.db2.gz DWSVLIFKBWVGPQ-GHMZBOCLSA-N -1 0 301.343 -0.358 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CCO1 ZINC000736147186 603014141 /nfs/dbraw/zinc/01/41/41/603014141.db2.gz DWSVLIFKBWVGPQ-QWRGUYRKSA-N -1 0 301.343 -0.358 20 0 DBADRM COCCN(CC(=O)N1CC[C@H](N2CCOCC2)C1)C(=O)[O-] ZINC000739817698 603014568 /nfs/dbraw/zinc/01/45/68/603014568.db2.gz VTZAEZCVAORCCZ-LBPRGKRZSA-N -1 0 315.370 -0.454 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000739308120 603014846 /nfs/dbraw/zinc/01/48/46/603014846.db2.gz CFPVYIVUEUQYKF-QWRGUYRKSA-N -1 0 301.343 -0.214 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000740345968 603015856 /nfs/dbraw/zinc/01/58/56/603015856.db2.gz CAZBXBACOSBPOB-VXGBXAGGSA-N -1 0 313.354 -0.702 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738943222 603016496 /nfs/dbraw/zinc/01/64/96/603016496.db2.gz FIRCLVMGHQPDQF-SNVBAGLBSA-N -1 0 309.326 -0.790 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCCOC1CCCC1 ZINC000740369916 603018360 /nfs/dbraw/zinc/01/83/60/603018360.db2.gz PTJGJAIPEXRUQX-UHFFFAOYSA-N -1 0 313.354 -0.116 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739995586 603018404 /nfs/dbraw/zinc/01/84/04/603018404.db2.gz OIROHADFPIVKCA-IUCAKERBSA-N -1 0 307.372 -0.522 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])c1noc(CCNS(C)(=O)=O)n1 ZINC000738905685 603021093 /nfs/dbraw/zinc/02/10/93/603021093.db2.gz FZUCVWSNERNKHN-ZETCQYMHSA-N -1 0 306.344 -0.125 20 0 DBADRM CN(CCc1ccncc1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739705544 603021237 /nfs/dbraw/zinc/02/12/37/603021237.db2.gz TYSAEQDJSIMWTA-UHFFFAOYSA-N -1 0 320.349 -0.095 20 0 DBADRM COCC(=O)N1CCN(C(=O)CC(C)(C)NC(=O)[O-])CC1 ZINC000739806526 603025220 /nfs/dbraw/zinc/02/52/20/603025220.db2.gz VMXDJIDOHADTMU-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)NCCNC(=O)[O-])C2=O)cn1 ZINC000740292762 603026371 /nfs/dbraw/zinc/02/63/71/603026371.db2.gz WHWMKFFNNOMCEH-SECBINFHSA-N -1 0 310.314 -0.908 20 0 DBADRM CN(C[C@@H]1CCCOC1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739643088 603026400 /nfs/dbraw/zinc/02/64/00/603026400.db2.gz CRKRHYVYKZBLEZ-NSHDSACASA-N -1 0 313.354 -0.306 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738705599 603029872 /nfs/dbraw/zinc/02/98/72/603029872.db2.gz OXLVKHQMIHVJJY-UHFFFAOYSA-N -1 0 315.326 -0.734 20 0 DBADRM C[C@@H](O)C1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739039669 603029900 /nfs/dbraw/zinc/02/99/00/603029900.db2.gz RQGRAWKSAPTUDA-SNVBAGLBSA-N -1 0 313.354 -0.572 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[O-])CCO1 ZINC000739472935 603033444 /nfs/dbraw/zinc/03/34/44/603033444.db2.gz HMPNXJPPKBHGQI-UWVGGRQHSA-N -1 0 300.311 -0.081 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739476311 603033452 /nfs/dbraw/zinc/03/34/52/603033452.db2.gz QJTRKMNKZAXQAP-ZJUUUORDSA-N -1 0 300.311 -0.223 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)CN(CCOC)C(=O)[O-])CCO1 ZINC000739477841 603033908 /nfs/dbraw/zinc/03/39/08/603033908.db2.gz WCEPBCCDMWYXDO-SNVBAGLBSA-N -1 0 318.326 -0.597 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)CNC(=O)c1ccccn1)C1CC1 ZINC000740599891 603034522 /nfs/dbraw/zinc/03/45/22/603034522.db2.gz HASRDZGXYKGZEU-LLVKDONJSA-N -1 0 306.322 -0.026 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H](CNC(=O)[O-])C2CC2)o1 ZINC000740341909 603035839 /nfs/dbraw/zinc/03/58/39/603035839.db2.gz WNVSMOXMJSNZCT-SSDOTTSWSA-N -1 0 317.323 -0.297 20 0 DBADRM O=C([O-])N(CCNC(=O)NCCN1C(=O)CCC1=O)C1CC1 ZINC000740441219 603038273 /nfs/dbraw/zinc/03/82/73/603038273.db2.gz XCEDHUOVKPGRTJ-UHFFFAOYSA-N -1 0 312.326 -0.423 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000740334220 603041958 /nfs/dbraw/zinc/04/19/58/603041958.db2.gz LORIXZGMNLHCFD-QWRGUYRKSA-N -1 0 312.370 -0.558 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)NCCN1C(=O)CCC1=O ZINC000738930676 603042809 /nfs/dbraw/zinc/04/28/09/603042809.db2.gz VQHOJLPNHNDDPW-QMMMGPOBSA-N -1 0 300.315 -0.567 20 0 DBADRM O=C([O-])NCCNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000740657423 603045620 /nfs/dbraw/zinc/04/56/20/603045620.db2.gz AXYUDCADSCSKTF-UHFFFAOYSA-N -1 0 306.278 -0.497 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)NCCN(C)C(=O)[O-])CCO1 ZINC000738553787 603047270 /nfs/dbraw/zinc/04/72/70/603047270.db2.gz WTFIFINVCNLRIZ-SNVBAGLBSA-N -1 0 302.331 -0.857 20 0 DBADRM Cn1c2nc(Cl)n(CCNC(=O)[O-])c2c(=O)n(C)c1=O ZINC000740275347 603048166 /nfs/dbraw/zinc/04/81/66/603048166.db2.gz PKBOILVKUVEEEL-UHFFFAOYSA-N -1 0 301.690 -0.645 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)N2CCO[C@H](Cn3cncn3)C2)C1 ZINC000740506377 603048685 /nfs/dbraw/zinc/04/86/85/603048685.db2.gz YGXDYVKRMVMNGW-MNOVXSKESA-N -1 0 324.341 -0.559 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)CCCN1C(=O)CNC1=O)C1CC1 ZINC000740602910 603050237 /nfs/dbraw/zinc/05/02/37/603050237.db2.gz RIHLEPYCECTQDT-VIFPVBQESA-N -1 0 312.326 -0.519 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)[O-])C1 ZINC000739989368 603054288 /nfs/dbraw/zinc/05/42/88/603054288.db2.gz AFYIHIRLBUQJSN-KXUCPTDWSA-N -1 0 319.383 -0.427 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])C1 ZINC000739989369 603054484 /nfs/dbraw/zinc/05/44/84/603054484.db2.gz AFYIHIRLBUQJSN-OPRDCNLKSA-N -1 0 319.383 -0.427 20 0 DBADRM O=C([O-])N1CCC[C@@H]1C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000740406198 603056873 /nfs/dbraw/zinc/05/68/73/603056873.db2.gz QBXSDSVCLTVXBQ-SECBINFHSA-N -1 0 320.367 -0.815 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000740604019 603058095 /nfs/dbraw/zinc/05/80/95/603058095.db2.gz XOOSZCZBHGNQRW-PSASIEDQSA-N -1 0 304.368 -0.026 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000738797648 603059523 /nfs/dbraw/zinc/05/95/23/603059523.db2.gz OJPGDMOXDIVHIG-ZJUUUORDSA-N -1 0 321.399 -0.277 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000738797645 603059670 /nfs/dbraw/zinc/05/96/70/603059670.db2.gz OJPGDMOXDIVHIG-NXEZZACHSA-N -1 0 321.399 -0.277 20 0 DBADRM CCOC(=O)N1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739477391 603059808 /nfs/dbraw/zinc/05/98/08/603059808.db2.gz OXFQZYXHQFCDFD-VHSXEESVSA-N -1 0 315.326 -0.600 20 0 DBADRM COC(=O)C1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739756248 603061000 /nfs/dbraw/zinc/06/10/00/603061000.db2.gz PMRBTGMBRPPGDA-UWVGGRQHSA-N -1 0 300.311 -0.489 20 0 DBADRM NC(=O)c1cccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000740335830 603067771 /nfs/dbraw/zinc/06/77/71/603067771.db2.gz WRZLRAMGEFKMJP-QWRGUYRKSA-N -1 0 307.306 -0.485 20 0 DBADRM NC(=O)Cc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000740331428 603067957 /nfs/dbraw/zinc/06/79/57/603067957.db2.gz NJFOSRBZMAGTRS-MNOVXSKESA-N -1 0 307.306 -0.234 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@H](CNC(=O)[O-])C2CC2)C[C@@H](C)O1 ZINC000739186754 603070176 /nfs/dbraw/zinc/07/01/76/603070176.db2.gz CFZJSOATNXGNNU-FXPVBKGRSA-N -1 0 321.399 -0.024 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N2CCC[C@H]2CO)CC1 ZINC000740527065 603071347 /nfs/dbraw/zinc/07/13/47/603071347.db2.gz NBOOLBWSCNKBOZ-NSHDSACASA-N -1 0 300.359 -0.552 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCC(=O)N1CCCCC1 ZINC000740420184 603071405 /nfs/dbraw/zinc/07/14/05/603071405.db2.gz YFJMRXFFUBENQQ-QWRGUYRKSA-N -1 0 313.354 -0.382 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)[C@@H](C)NC(=O)[O-])C2=O)n(C)n1 ZINC000830072439 603071465 /nfs/dbraw/zinc/07/14/65/603071465.db2.gz FGZCOHIAUOMLSI-BDAKNGLRSA-N -1 0 309.326 -0.394 20 0 DBADRM COCCCN(CCOC)C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739809896 603072245 /nfs/dbraw/zinc/07/22/45/603072245.db2.gz FJGWSFWYTAPZOI-WDEREUQCSA-N -1 0 304.343 -0.389 20 0 DBADRM C[C@H]1CN(C(=O)COCCNC(=O)[O-])C[C@@H]1N1CCOCC1 ZINC000739137364 603073760 /nfs/dbraw/zinc/07/37/60/603073760.db2.gz UPWJGKPNOYXBQO-RYUDHWBXSA-N -1 0 315.370 -0.550 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCCNC(=O)[O-] ZINC000738704231 603075004 /nfs/dbraw/zinc/07/50/04/603075004.db2.gz FWEWIUYYJVTNMC-IUCAKERBSA-N -1 0 317.342 -0.260 20 0 DBADRM CN(Cc1nnc2ccccn21)C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739720942 603075192 /nfs/dbraw/zinc/07/51/92/603075192.db2.gz NWRDMDAAPWDOKK-NXEZZACHSA-N -1 0 319.321 -0.199 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCN(CC(F)F)CC1 ZINC000740342034 603075402 /nfs/dbraw/zinc/07/54/02/603075402.db2.gz QCQOTGSMLUTHIZ-RKDXNWHRSA-N -1 0 307.297 -0.491 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCC(=O)Nc1cccnc1 ZINC000740375980 603076795 /nfs/dbraw/zinc/07/67/95/603076795.db2.gz CSYAADRXOBXESH-NXEZZACHSA-N -1 0 308.294 -0.751 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)Nc1cccnc1 ZINC000740375987 603078091 /nfs/dbraw/zinc/07/80/91/603078091.db2.gz CSYAADRXOBXESH-VHSXEESVSA-N -1 0 308.294 -0.751 20 0 DBADRM O=C([O-])N1CCC[C@H]1CC(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000740733788 603078078 /nfs/dbraw/zinc/07/80/78/603078078.db2.gz ZQXLGOWXZRTYDF-SDBXPKJASA-N -1 0 310.310 -0.671 20 0 DBADRM CCN(CC)C(=O)CCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739403594 603078980 /nfs/dbraw/zinc/07/89/80/603078980.db2.gz QIPJWHQPCGWILL-GHMZBOCLSA-N -1 0 315.370 -0.136 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CCC[C@@H](NC(=O)[O-])C2)n1 ZINC000738051545 603079931 /nfs/dbraw/zinc/07/99/31/603079931.db2.gz RJABWPMIGLJETM-SECBINFHSA-N -1 0 310.310 -0.281 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000739985533 603081075 /nfs/dbraw/zinc/08/10/75/603081075.db2.gz YJVANJSGKTWYEV-VIFPVBQESA-N -1 0 307.372 -0.234 20 0 DBADRM NC(=O)c1cc([C@@H]2CCCN(C(=O)CCNC(=O)[O-])C2)n[nH]1 ZINC000738441606 603083014 /nfs/dbraw/zinc/08/30/14/603083014.db2.gz AYIGVUNYODQNTN-MRVPVSSYSA-N -1 0 309.326 -0.128 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1)C(=O)[O-] ZINC000737385078 603083073 /nfs/dbraw/zinc/08/30/73/603083073.db2.gz NULLRIOSWQAITB-MRVPVSSYSA-N -1 0 309.326 -0.176 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)NCCCN(C)C(=O)[O-])CCO1 ZINC000739471969 603086097 /nfs/dbraw/zinc/08/60/97/603086097.db2.gz GSNVTYSMNCKDQJ-SNVBAGLBSA-N -1 0 317.342 -0.040 20 0 DBADRM COCCN(CC(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000739822949 603086281 /nfs/dbraw/zinc/08/62/81/603086281.db2.gz PABZFKMZWHLZRS-UHFFFAOYSA-N -1 0 323.353 -0.248 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@@H]2CCCN(C(=O)[O-])C2)n[nH]1 ZINC000738033162 603087046 /nfs/dbraw/zinc/08/70/46/603087046.db2.gz XAAQKOSKOKHPNI-SSDOTTSWSA-N -1 0 311.298 -0.151 20 0 DBADRM C[C@H]1CN(C(=O)N[C@H](CNC(=O)[O-])C2CC2)CCS1(=O)=O ZINC000739129521 603088128 /nfs/dbraw/zinc/08/81/28/603088128.db2.gz BYRKHXCTMXIXSQ-WCBMZHEXSA-N -1 0 319.383 -0.139 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2ccc(F)nc2)CC1 ZINC000740405794 603095092 /nfs/dbraw/zinc/09/50/92/603095092.db2.gz XXHLPMWCSBNAFA-UHFFFAOYSA-N -1 0 310.285 -0.227 20 0 DBADRM COc1ncc(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000739982206 603095478 /nfs/dbraw/zinc/09/54/78/603095478.db2.gz CPZBPGKLHVAAQU-UHFFFAOYSA-N -1 0 323.309 -0.963 20 0 DBADRM COCCN(CC(=O)NCC(=O)NC1CCCC1)C(=O)[O-] ZINC000739817236 603096106 /nfs/dbraw/zinc/09/61/06/603096106.db2.gz CVIKYNYCRDKIER-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM COCCN(CC(=O)N1CCC(NC(C)=O)CC1)C(=O)[O-] ZINC000739816047 603097258 /nfs/dbraw/zinc/09/72/58/603097258.db2.gz KYUNSTRRKWCFJP-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM COCCN(CC(=O)N[C@@H]1CCc2nnc(C)n2C1)C(=O)[O-] ZINC000739816739 603097321 /nfs/dbraw/zinc/09/73/21/603097321.db2.gz AXDPMAZHPQRDHR-SNVBAGLBSA-N -1 0 311.342 -0.356 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NC1(CNC(=O)[O-])CCCC1)C(N)=O ZINC000738550685 603098286 /nfs/dbraw/zinc/09/82/86/603098286.db2.gz RVKYZMKBPNZDHB-VIFPVBQESA-N -1 0 314.342 -0.937 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739189336 603098997 /nfs/dbraw/zinc/09/89/97/603098997.db2.gz LZXIWWALQINQBQ-IUCAKERBSA-N -1 0 305.356 -0.433 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@@](C)(CNC(=O)[O-])C(C)C)C(N)=O ZINC000738550196 603099612 /nfs/dbraw/zinc/09/96/12/603099612.db2.gz RHNXVNLBRJJDBI-ZANVPECISA-N -1 0 316.358 -0.835 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@H]3CCCN3C(=O)[O-])CC2)[nH]1 ZINC000740218725 603100625 /nfs/dbraw/zinc/10/06/25/603100625.db2.gz LRBGHHOFCITPBI-LLVKDONJSA-N -1 0 322.369 -0.100 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)Cn1nc2ccccn2c1=O ZINC000832551440 603102888 /nfs/dbraw/zinc/10/28/88/603102888.db2.gz NJXVARRXXPPAQB-JTQLQIEISA-N -1 0 319.321 -0.245 20 0 DBADRM Cn1nnnc1SCCC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000831064522 603104213 /nfs/dbraw/zinc/10/42/13/603104213.db2.gz HRNQVQGXXSBOBT-MRVPVSSYSA-N -1 0 314.371 -0.049 20 0 DBADRM Cn1nnnc1SCCC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000831064523 603104348 /nfs/dbraw/zinc/10/43/48/603104348.db2.gz HRNQVQGXXSBOBT-QMMMGPOBSA-N -1 0 314.371 -0.049 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCN1CCOCC1 ZINC000739202466 603107059 /nfs/dbraw/zinc/10/70/59/603107059.db2.gz OHJLOAAAHZSZGT-GHMZBOCLSA-N -1 0 315.370 -0.062 20 0 DBADRM COCCN(CC(=O)NCCc1nnc2n1CCC2)C(=O)[O-] ZINC000739818892 603107131 /nfs/dbraw/zinc/10/71/31/603107131.db2.gz SMHFRTTZCPRBQK-UHFFFAOYSA-N -1 0 311.342 -0.491 20 0 DBADRM COCCN(CC(=O)NCC1N=NC(=S)N1C)C(=O)[O-] ZINC000739817962 603110951 /nfs/dbraw/zinc/11/09/51/603110951.db2.gz JMIKJYTZEFBVNM-UHFFFAOYSA-N -1 0 303.344 -0.654 20 0 DBADRM CNC(=O)[C@@H]1CCCN(C(=O)CN(CCOC)C(=O)[O-])C1 ZINC000739740140 603113095 /nfs/dbraw/zinc/11/30/95/603113095.db2.gz WGLVLWVETAPNEI-SNVBAGLBSA-N -1 0 301.343 -0.403 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739463403 603114848 /nfs/dbraw/zinc/11/48/48/603114848.db2.gz OJVFBVWBJUDMNM-YUMQZZPRSA-N -1 0 301.299 -0.188 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000738995331 603116100 /nfs/dbraw/zinc/11/61/00/603116100.db2.gz PVFJJKXNJDIXHF-VIFPVBQESA-N -1 0 305.400 -0.398 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000739529690 603116674 /nfs/dbraw/zinc/11/66/74/603116674.db2.gz ILDLQIPCARMSNM-JTQLQIEISA-N -1 0 319.427 -0.008 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC(NC(=O)[O-])CC1 ZINC000739065357 603118875 /nfs/dbraw/zinc/11/88/75/603118875.db2.gz HZTJTSQVWWFANK-UHFFFAOYSA-N -1 0 312.326 -0.425 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)OCC(=O)N1CCOCC1 ZINC000740584375 603119984 /nfs/dbraw/zinc/11/99/84/603119984.db2.gz YWTLIXSCDRKRDF-UWVGGRQHSA-N -1 0 300.311 -0.175 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000739761703 603121724 /nfs/dbraw/zinc/12/17/24/603121724.db2.gz MSOLRDVHEYLHCT-HTQZYQBOSA-N -1 0 302.283 -0.745 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N[C@H](CCO)C2CC2)CC1 ZINC000740439057 603123629 /nfs/dbraw/zinc/12/36/29/603123629.db2.gz KVXXDNMJVAKKHK-GFCCVEGCSA-N -1 0 314.386 -0.258 20 0 DBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000738771942 603127006 /nfs/dbraw/zinc/12/70/06/603127006.db2.gz NJGCYTWPKCDGMI-SDBXPKJASA-N -1 0 314.342 -0.227 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC000832546503 603127475 /nfs/dbraw/zinc/12/74/75/603127475.db2.gz PIVTUMDGWVCDAL-VIFPVBQESA-N -1 0 310.310 -0.815 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[O-])o1 ZINC000831252270 603130547 /nfs/dbraw/zinc/13/05/47/603130547.db2.gz UPGBXXYBCHUFLL-SSDOTTSWSA-N -1 0 317.323 -0.201 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000824369295 603132491 /nfs/dbraw/zinc/13/24/91/603132491.db2.gz QZLAADIVDBHMBD-NSHDSACASA-N -1 0 314.386 -0.299 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000739705380 603133385 /nfs/dbraw/zinc/13/33/85/603133385.db2.gz SIJJKMAWYBOPFT-VIFPVBQESA-N -1 0 307.372 -0.281 20 0 DBADRM CC(C)(CC(=O)OCCCN1C(=O)CNC1=O)NC(=O)[O-] ZINC000738737063 603133932 /nfs/dbraw/zinc/13/39/32/603133932.db2.gz DTLCQAIUUJAYFP-UHFFFAOYSA-N -1 0 301.299 -0.092 20 0 DBADRM C[C@@H](NC(=O)COC(=O)CC(C)(C)NC(=O)[O-])C(=O)N(C)C ZINC000738964572 603134139 /nfs/dbraw/zinc/13/41/39/603134139.db2.gz CVBDDVIIBSTTFO-MRVPVSSYSA-N -1 0 317.342 -0.441 20 0 DBADRM CN(C(=O)N[C@@H](CNC(=O)[O-])C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000739574953 603134535 /nfs/dbraw/zinc/13/45/35/603134535.db2.gz DHQKSNGLCITUAL-ZJUUUORDSA-N -1 0 319.383 -0.139 20 0 DBADRM COCCN(CC(=O)Nc1nn2cnnc2s1)C(=O)[O-] ZINC000739826158 603140753 /nfs/dbraw/zinc/14/07/53/603140753.db2.gz IZMGFDMZRPICQT-UHFFFAOYSA-N -1 0 300.300 -0.249 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H](CNC(=O)[O-])C2CC2)n(C)n1 ZINC000740078995 603140780 /nfs/dbraw/zinc/14/07/80/603140780.db2.gz JTBPOBIVGYSHOK-VIFPVBQESA-N -1 0 309.326 -0.171 20 0 DBADRM O=C([O-])N1CCN(CC(=O)OCCc2cnccn2)C(=O)C1 ZINC000740375299 603145367 /nfs/dbraw/zinc/14/53/67/603145367.db2.gz ZZBUTZBEAJNXRD-UHFFFAOYSA-N -1 0 308.294 -0.616 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N2CC[C@H](CO)C2)CC1 ZINC000740526770 603146480 /nfs/dbraw/zinc/14/64/80/603146480.db2.gz LEJRFIXWPWDWIS-NSHDSACASA-N -1 0 300.359 -0.694 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)Nc1ccc(O)cc1 ZINC000740375665 603147721 /nfs/dbraw/zinc/14/77/21/603147721.db2.gz FTSWIOQAWCHIIB-GHMZBOCLSA-N -1 0 324.289 -0.013 20 0 DBADRM O=C([O-])NCCCOC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000740654160 603151219 /nfs/dbraw/zinc/15/12/19/603151219.db2.gz AEYYRKJPPPEJKW-UHFFFAOYSA-N -1 0 313.310 -0.044 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000828963823 603152365 /nfs/dbraw/zinc/15/23/65/603152365.db2.gz DMNPGMPQUANPAR-SNVBAGLBSA-N -1 0 309.388 -0.116 20 0 DBADRM CC1CCN(C(=O)COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739114271 603159307 /nfs/dbraw/zinc/15/93/07/603159307.db2.gz VJHQEGTYJBJVTF-WDEREUQCSA-N -1 0 314.338 -0.099 20 0 DBADRM Cn1c(COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])nnc1C1CC1 ZINC000740281962 603159861 /nfs/dbraw/zinc/15/98/61/603159861.db2.gz LRCXTAYSSUIVDJ-DTWKUNHWSA-N -1 0 310.310 -0.151 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)CN1CCCS1(=O)=O)C(=O)[O-] ZINC000828191088 603164394 /nfs/dbraw/zinc/16/43/94/603164394.db2.gz BXUXQMMCXFVYEA-JTQLQIEISA-N -1 0 319.383 -0.377 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=S)NCCN2CCOCC2)C1 ZINC000739927460 603172638 /nfs/dbraw/zinc/17/26/38/603172638.db2.gz OUFRFFVSSIMSBG-LLVKDONJSA-N -1 0 316.427 -0.075 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000738444132 603185398 /nfs/dbraw/zinc/18/53/98/603185398.db2.gz AMTMYYYMGHUAQC-UWVGGRQHSA-N -1 0 319.383 -0.344 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N(C)CCCNC(=O)[O-])nn1 ZINC000739597777 603186921 /nfs/dbraw/zinc/18/69/21/603186921.db2.gz WNQWXFFVRGKPGC-UHFFFAOYSA-N -1 0 312.330 -0.904 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)Cn1nnc2ccccc2c1=O ZINC000739677998 603190172 /nfs/dbraw/zinc/19/01/72/603190172.db2.gz NBDIQPHRTDNRRI-UHFFFAOYSA-N -1 0 319.321 -0.092 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)CCSc1nnnn1C ZINC000739671927 603190699 /nfs/dbraw/zinc/19/06/99/603190699.db2.gz FZHNOWJVKQTGCC-UHFFFAOYSA-N -1 0 302.360 -0.192 20 0 DBADRM C[C@H]1CN(c2ncc(S(N)(=O)=O)s2)CCN1C(=O)[O-] ZINC000826088146 603194513 /nfs/dbraw/zinc/19/45/13/603194513.db2.gz VSWYRZBHCLRIEM-LURJTMIESA-N -1 0 306.369 -0.021 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC000739010798 603195609 /nfs/dbraw/zinc/19/56/09/603195609.db2.gz XMYPJZYLCLWLHU-DTWKUNHWSA-N -1 0 312.326 -0.425 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@H]2COCCN2C(=O)[O-])CC1=O ZINC000825861161 603196956 /nfs/dbraw/zinc/19/69/56/603196956.db2.gz PNCKXXMTSCCRBV-VPOLOUISSA-N -1 0 311.338 -0.509 20 0 DBADRM O=C(CN1CCCS1(=O)=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739286296 603199709 /nfs/dbraw/zinc/19/97/09/603199709.db2.gz UEPLNWNRKPLUBG-SECBINFHSA-N -1 0 305.356 -0.720 20 0 DBADRM CN(CC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000828120648 603205315 /nfs/dbraw/zinc/20/53/15/603205315.db2.gz SWHYYTCNXVGLLW-QMMMGPOBSA-N -1 0 316.339 -0.209 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)o1 ZINC000739189935 603207192 /nfs/dbraw/zinc/20/71/92/603207192.db2.gz KSPAMCHLDOPBPW-ZETCQYMHSA-N -1 0 317.323 -0.201 20 0 DBADRM Cc1nc(C)n(C[C@H]2CN(C(=O)CN(C)C(=O)[O-])CCO2)n1 ZINC000830734834 603219730 /nfs/dbraw/zinc/21/97/30/603219730.db2.gz OCBKVVASBZILCK-LLVKDONJSA-N -1 0 311.342 -0.268 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739811315 603219743 /nfs/dbraw/zinc/21/97/43/603219743.db2.gz AGHLZGJIVQIBNQ-SNVBAGLBSA-N -1 0 301.343 -0.451 20 0 DBADRM Cc1nc(C)n(C[C@@H]2CN(C(=O)CCNC(=O)[O-])CCO2)n1 ZINC000830733784 603219759 /nfs/dbraw/zinc/21/97/59/603219759.db2.gz JJCKHDRPLCJFEW-NSHDSACASA-N -1 0 311.342 -0.220 20 0 DBADRM COC[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C(C)C ZINC000739813679 603222266 /nfs/dbraw/zinc/22/22/66/603222266.db2.gz VLEQFMVYKCSPNO-JTQLQIEISA-N -1 0 301.343 -0.404 20 0 DBADRM Cc1cc(N2CCC[C@@H](NC(=O)CCNC(=O)[O-])C2=O)n(C)n1 ZINC000830078507 603223843 /nfs/dbraw/zinc/22/38/43/603223843.db2.gz MMVILISMFSEXDS-SNVBAGLBSA-N -1 0 323.353 -0.002 20 0 DBADRM Cc1cc(N2CCC[C@H](NC(=O)CN(C)C(=O)[O-])C2=O)n(C)n1 ZINC000830078096 603225221 /nfs/dbraw/zinc/22/52/21/603225221.db2.gz JSPHLMLAVYHIMJ-JTQLQIEISA-N -1 0 323.353 -0.050 20 0 DBADRM COC(=O)c1nc2n(n1)CCCN2C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739791421 603235004 /nfs/dbraw/zinc/23/50/04/603235004.db2.gz HJOOZRNOPIIQSX-QMMMGPOBSA-N -1 0 323.309 -0.199 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)NC(C)(C)CNC(=O)[O-])C[C@@H](C)O1 ZINC000739196139 603237173 /nfs/dbraw/zinc/23/71/73/603237173.db2.gz VEYNDHVTRCXAAY-RKDXNWHRSA-N -1 0 309.388 -0.024 20 0 DBADRM CS(=O)(=O)NCCNC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739995497 603237518 /nfs/dbraw/zinc/23/75/18/603237518.db2.gz NAKCSSDEHMCZNS-DTWKUNHWSA-N -1 0 307.372 -0.522 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000739597769 603239308 /nfs/dbraw/zinc/23/93/08/603239308.db2.gz WKQVODOTLRYCSN-SECBINFHSA-N -1 0 309.326 -0.090 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000824369791 603240388 /nfs/dbraw/zinc/24/03/88/603240388.db2.gz VIFSLJROFSWWBW-LLVKDONJSA-N -1 0 314.386 -0.299 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)COCCNC(=O)[O-] ZINC000739072325 603242834 /nfs/dbraw/zinc/24/28/34/603242834.db2.gz CLFOMCPDRIMICP-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM Cc1c(C(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)nnn1C ZINC000740032988 603245337 /nfs/dbraw/zinc/24/53/37/603245337.db2.gz SHTHLWCFXIJVMT-UHFFFAOYSA-N -1 0 324.341 -0.982 20 0 DBADRM NC(=O)CN1CCN(C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)CC1 ZINC000740333122 603249059 /nfs/dbraw/zinc/24/90/59/603249059.db2.gz BEOUEJSNQADCHX-WDEREUQCSA-N -1 0 312.370 -0.558 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000829683469 603261501 /nfs/dbraw/zinc/26/15/01/603261501.db2.gz SLRTUBNXZRKZNB-JTQLQIEISA-N -1 0 319.383 -0.377 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000740341974 603265791 /nfs/dbraw/zinc/26/57/91/603265791.db2.gz NMXPRWXAFSOFQR-IVZWLZJFSA-N -1 0 319.383 -0.298 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000740342377 603265943 /nfs/dbraw/zinc/26/59/43/603265943.db2.gz NMXPRWXAFSOFQR-OPRDCNLKSA-N -1 0 319.383 -0.298 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000739992941 603277642 /nfs/dbraw/zinc/27/76/42/603277642.db2.gz UUASBCNFTDYAMI-NXEZZACHSA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCCN(C)C(=O)[O-] ZINC000739079475 603283527 /nfs/dbraw/zinc/28/35/27/603283527.db2.gz ZVCKTHCLQFQUBJ-RKDXNWHRSA-N -1 0 307.372 -0.187 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCCCNC(=O)[O-] ZINC000739071664 603283677 /nfs/dbraw/zinc/28/36/77/603283677.db2.gz BOYLMEBCQVZONM-IUCAKERBSA-N -1 0 307.372 -0.139 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)C1(NC(=O)[O-])CCCC1 ZINC000739985634 603285362 /nfs/dbraw/zinc/28/53/62/603285362.db2.gz VYKUNSIHUOBVLI-UHFFFAOYSA-N -1 0 322.383 -0.256 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000739983587 603288263 /nfs/dbraw/zinc/28/82/63/603288263.db2.gz BJRZBBXUHNAXOF-VHSXEESVSA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@@H](CC(=O)N1CCCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000824590050 603289088 /nfs/dbraw/zinc/28/90/88/603289088.db2.gz JCOVCMBBDLYNNW-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739806206 603289570 /nfs/dbraw/zinc/28/95/70/603289570.db2.gz CSHLEANTZYILPZ-JTQLQIEISA-N -1 0 301.343 -0.403 20 0 DBADRM Cc1cc(C(=O)NCCN(C)C(=O)[O-])ccc1S(N)(=O)=O ZINC000740064153 603296663 /nfs/dbraw/zinc/29/66/63/603296663.db2.gz ZSQCTBXIFQRWQN-UHFFFAOYSA-N -1 0 315.351 -0.018 20 0 DBADRM O=C([O-])N1CCC[C@@H](C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC000738720805 603298548 /nfs/dbraw/zinc/29/85/48/603298548.db2.gz QSDNRUBRURHHOR-OQPBUACISA-N -1 0 310.310 -0.813 20 0 DBADRM O=C([O-])NC1(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)CCCCC1 ZINC000740532168 603299101 /nfs/dbraw/zinc/29/91/01/603299101.db2.gz CYQDCYFKJQAOEY-CQSZACIVSA-N -1 0 324.337 -0.233 20 0 DBADRM O=C([O-])NC1(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)CCCC1 ZINC000740534023 603299147 /nfs/dbraw/zinc/29/91/47/603299147.db2.gz RGDQTAONUBYLNN-CYBMUJFWSA-N -1 0 310.310 -0.623 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000737586821 603303459 /nfs/dbraw/zinc/30/34/59/603303459.db2.gz JKGWGOXLKDLJOY-NXEZZACHSA-N -1 0 315.326 -0.288 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000737586823 603303507 /nfs/dbraw/zinc/30/35/07/603303507.db2.gz JKGWGOXLKDLJOY-VHSXEESVSA-N -1 0 315.326 -0.288 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)NCCS(C)(=O)=O)C(=O)[O-] ZINC000828198661 603304790 /nfs/dbraw/zinc/30/47/90/603304790.db2.gz IRGFULBCUGRAMA-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM CS(=O)(=O)CCNC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000829675426 603305499 /nfs/dbraw/zinc/30/54/99/603305499.db2.gz WUATZLBUGZYNCQ-RKDXNWHRSA-N -1 0 307.372 -0.234 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000740340574 603307440 /nfs/dbraw/zinc/30/74/40/603307440.db2.gz FXGAEJHLPYWGJM-NXEZZACHSA-N -1 0 319.383 -0.487 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000739672979 603310464 /nfs/dbraw/zinc/31/04/64/603310464.db2.gz YQBCEKJQABUSCR-JTQLQIEISA-N -1 0 321.399 -0.779 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@@H]3CCN(C(=O)[O-])C3)CC2)[nH]1 ZINC000740218041 603317963 /nfs/dbraw/zinc/31/79/63/603317963.db2.gz FYMTZSGGNWQQDD-LLVKDONJSA-N -1 0 322.369 -0.243 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)O[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000740337224 603327875 /nfs/dbraw/zinc/32/78/75/603327875.db2.gz HXUBNEHTBUAFDQ-VIFPVBQESA-N -1 0 321.355 -0.803 20 0 DBADRM CCc1nc2n(n1)C[C@@H](NC(=O)COCCNC(=O)[O-])CC2 ZINC000739556721 603333471 /nfs/dbraw/zinc/33/34/71/603333471.db2.gz GGEPCQISHRMGGJ-VIFPVBQESA-N -1 0 311.342 -0.444 20 0 DBADRM C[C@@H](CC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)NC(=O)[O-] ZINC000824584116 603340602 /nfs/dbraw/zinc/34/06/02/603340602.db2.gz XGPPRNLJTQNDIW-IUCAKERBSA-N -1 0 322.387 -0.936 20 0 DBADRM C[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[C@H]1NC(=O)[O-] ZINC000739129516 603346681 /nfs/dbraw/zinc/34/66/81/603346681.db2.gz BXXBOSYWBWEFGD-VHSXEESVSA-N -1 0 324.337 -0.948 20 0 DBADRM C[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[C@@H]1NC(=O)[O-] ZINC000739129515 603346712 /nfs/dbraw/zinc/34/67/12/603346712.db2.gz BXXBOSYWBWEFGD-UWVGGRQHSA-N -1 0 324.337 -0.948 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739839105 603347065 /nfs/dbraw/zinc/34/70/65/603347065.db2.gz VCQRSNRMFZAUEM-NXEZZACHSA-N -1 0 322.383 -0.448 20 0 DBADRM C[C@H]1CN(C(=O)CCNS(C)(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739125706 603348038 /nfs/dbraw/zinc/34/80/38/603348038.db2.gz NMGKSHNIYIABSP-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM CC(C)(C)[C@@H](O)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000738675555 603358229 /nfs/dbraw/zinc/35/82/29/603358229.db2.gz MKJFOVAVQMJKBN-NSHDSACASA-N -1 0 316.402 -0.012 20 0 DBADRM COCc1cc(C(=O)NCCN2CCN(C(=O)[O-])CC2)no1 ZINC000829036580 603369641 /nfs/dbraw/zinc/36/96/41/603369641.db2.gz XCZNXJABLTWFGK-UHFFFAOYSA-N -1 0 312.326 -0.154 20 0 DBADRM C[C@@H]1CN(C(=S)NCCN2CCOCC2)CCN1C(=O)[O-] ZINC000739172825 603374058 /nfs/dbraw/zinc/37/40/58/603374058.db2.gz JFLOQRPFDTYKRZ-LLVKDONJSA-N -1 0 316.427 -0.123 20 0 DBADRM CS(=O)(=O)CCNC(=S)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000739984970 603375725 /nfs/dbraw/zinc/37/57/25/603375725.db2.gz RRRXWWVDAXHVPM-RKDXNWHRSA-N -1 0 323.440 -0.069 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739597181 603381773 /nfs/dbraw/zinc/38/17/73/603381773.db2.gz YCENCYBITZDWCL-UHFFFAOYSA-N -1 0 308.294 -0.081 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739464128 603385217 /nfs/dbraw/zinc/38/52/17/603385217.db2.gz YQFOQGADYIISJH-UWVGGRQHSA-N -1 0 301.343 -0.214 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)COCCNC(=O)[O-])C1 ZINC000739981682 603387371 /nfs/dbraw/zinc/38/73/71/603387371.db2.gz BIEKXAIJDHTOJR-NXEZZACHSA-N -1 0 322.383 -0.257 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)COCCNC(=O)[O-] ZINC000739663836 603388830 /nfs/dbraw/zinc/38/88/30/603388830.db2.gz MTUHWLBBFAOGMS-SECBINFHSA-N -1 0 308.356 -0.836 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CCN(C(=O)[O-])CC2)n(C)n1 ZINC000737254022 603390682 /nfs/dbraw/zinc/39/06/82/603390682.db2.gz MYUYDWOFPIGPTA-UHFFFAOYSA-N -1 0 309.326 -0.257 20 0 DBADRM Cc1ncc(NC(=O)C(=O)NCCN(C(=O)[O-])C2CC2)cn1 ZINC000740233485 603410278 /nfs/dbraw/zinc/41/02/78/603410278.db2.gz VUNIOCKEDOTFEN-UHFFFAOYSA-N -1 0 307.310 -0.018 20 0 DBADRM CC(C)[C@H](NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C(N)=O ZINC000738789706 603413891 /nfs/dbraw/zinc/41/38/91/603413891.db2.gz NVFRYUFHYHFBQA-KOLCDFICSA-N -1 0 301.343 -0.229 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CCN(C(=O)[O-])C[C@H]2C)cn1 ZINC000740230785 603417248 /nfs/dbraw/zinc/41/72/48/603417248.db2.gz FGFNIPSBANXCNC-MRVPVSSYSA-N -1 0 307.310 -0.066 20 0 DBADRM CCN(CC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000739391477 603421392 /nfs/dbraw/zinc/42/13/92/603421392.db2.gz WWIQLCWHDZBHOY-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])c1noc(-c2cn(CC(N)=O)nn2)n1 ZINC000824902201 603421737 /nfs/dbraw/zinc/42/17/37/603421737.db2.gz LDJJTOQLNWNPGX-ZCFIWIBFSA-N -1 0 309.286 -0.473 20 0 DBADRM CN(C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])[C@@H]1CCN(C)C1=O ZINC000739733804 603427319 /nfs/dbraw/zinc/42/73/19/603427319.db2.gz WCYDVWRFHZXWCW-WDEREUQCSA-N -1 0 313.354 -0.166 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCCOCCO)cn1 ZINC000740704880 603428749 /nfs/dbraw/zinc/42/87/49/603428749.db2.gz FYEZEAICSXHCSW-UHFFFAOYSA-N -1 0 312.282 -0.765 20 0 DBADRM CCOC[C@@H](O)CN1CCN(C(=O)CN(CC)C(=O)[O-])CC1 ZINC000739490881 603431732 /nfs/dbraw/zinc/43/17/32/603431732.db2.gz RKCMLIKWDQAGQC-LBPRGKRZSA-N -1 0 317.386 -0.472 20 0 DBADRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NN1CC(=O)NC1=O ZINC000832792286 603433800 /nfs/dbraw/zinc/43/38/00/603433800.db2.gz GCIRCCJVCAJHAS-SECBINFHSA-N -1 0 306.278 -0.552 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000829683600 603434448 /nfs/dbraw/zinc/43/44/48/603434448.db2.gz VZHXUKAFODECQK-UWVGGRQHSA-N -1 0 319.383 -0.474 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])c(=O)[nH]c1=O ZINC000740279027 603435672 /nfs/dbraw/zinc/43/56/72/603435672.db2.gz BLRVQJXHDUJOOB-VXNVDRBHSA-N -1 0 310.310 -0.348 20 0 DBADRM O=C([O-])N[C@H]1CC[C@H](C(=O)N2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000832247454 603439843 /nfs/dbraw/zinc/43/98/43/603439843.db2.gz PMAXKLYBSAPEHL-IUCAKERBSA-N -1 0 324.337 -0.377 20 0 DBADRM NC(=O)CN1CCC(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000831189513 603441056 /nfs/dbraw/zinc/44/10/56/603441056.db2.gz ABPYQOJCNZUVEW-KOLCDFICSA-N -1 0 312.370 -0.511 20 0 DBADRM COC(=O)[C@]1(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CCOC1 ZINC000828624156 603441765 /nfs/dbraw/zinc/44/17/65/603441765.db2.gz LMEGCMADFWNXBO-RWEMILLDSA-N -1 0 300.311 -0.129 20 0 DBADRM COC(=O)[C@@]1(NC(=O)C[C@H]2CCCN2C(=O)[O-])CCOC1 ZINC000828624028 603441801 /nfs/dbraw/zinc/44/18/01/603441801.db2.gz KGEBSSQQIYRILB-NOZJJQNGSA-N -1 0 300.311 -0.033 20 0 DBADRM COC(=O)[C@@]1(NC(=O)CN(CC2CC2)C(=O)[O-])CCOC1 ZINC000828625364 603442209 /nfs/dbraw/zinc/44/22/09/603442209.db2.gz ZGZUSDLKLIGPQN-CYBMUJFWSA-N -1 0 300.311 -0.175 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)OC(=O)COC1CN(C(=O)[O-])C1 ZINC000827250591 603442738 /nfs/dbraw/zinc/44/27/38/603442738.db2.gz ULOFRENPTXBJEV-SSDOTTSWSA-N -1 0 317.298 -0.857 20 0 DBADRM NC(=O)Cn1cc(C(=O)OC[C@@H]2CCCN(C(=O)[O-])C2)nn1 ZINC000831199812 603445857 /nfs/dbraw/zinc/44/58/57/603445857.db2.gz JZXVGRHGPSVQSS-MRVPVSSYSA-N -1 0 311.298 -0.690 20 0 DBADRM NC(=O)CN1C[C@H](OC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1=O ZINC000831190362 603448796 /nfs/dbraw/zinc/44/87/96/603448796.db2.gz VAWGFPAVIYFHNF-HRDYMLBCSA-N -1 0 313.310 -0.948 20 0 DBADRM CC(C)(CC(=O)N1CCN(CCn2cncn2)CC1)NC(=O)[O-] ZINC000823881682 603449756 /nfs/dbraw/zinc/44/97/56/603449756.db2.gz ITDMSEUQCSGMQP-UHFFFAOYSA-N -1 0 324.385 -0.141 20 0 DBADRM Cc1oc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000830942505 603451164 /nfs/dbraw/zinc/45/11/64/603451164.db2.gz MJHWMBOJFQNBER-ZETCQYMHSA-N -1 0 317.323 -0.282 20 0 DBADRM Nc1nc(N)nc(COC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)n1 ZINC000831265308 603455624 /nfs/dbraw/zinc/45/56/24/603455624.db2.gz GTRRIRJUHSGRDY-NKWVEPMBSA-N -1 0 310.314 -0.094 20 0 DBADRM Nc1nc(N)nc(COC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)n1 ZINC000831265309 603455665 /nfs/dbraw/zinc/45/56/65/603455665.db2.gz GTRRIRJUHSGRDY-RNFRBKRXSA-N -1 0 310.314 -0.094 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000832263213 603458547 /nfs/dbraw/zinc/45/85/47/603458547.db2.gz QQWCXYKKVAEMLH-IVZWLZJFSA-N -1 0 304.368 -0.026 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000826074125 603461921 /nfs/dbraw/zinc/46/19/21/603461921.db2.gz ICUNGCZGLSKTDV-HLTSFMKQSA-N -1 0 307.372 -0.571 20 0 DBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)CCNC(=O)[O-] ZINC000826074310 603462134 /nfs/dbraw/zinc/46/21/34/603462134.db2.gz LDBFBASQTKZFAA-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NCC(C)(C)NC(=O)[O-] ZINC000828086240 603471162 /nfs/dbraw/zinc/47/11/62/603471162.db2.gz QSBUVWNHTFGONA-UHFFFAOYSA-N -1 0 309.388 -0.022 20 0 DBADRM NC(=O)C1(CNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CCOCC1 ZINC000831167411 603472538 /nfs/dbraw/zinc/47/25/38/603472538.db2.gz KNOOPBIASTWKQZ-NXEZZACHSA-N -1 0 313.354 -0.179 20 0 DBADRM CN(C(=O)CCNS(C)(=O)=O)C1CCC(NC(=O)[O-])CC1 ZINC000827759333 603474686 /nfs/dbraw/zinc/47/46/86/603474686.db2.gz QYIBHPGIGVELRN-UHFFFAOYSA-N -1 0 321.399 -0.037 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000827305613 603474978 /nfs/dbraw/zinc/47/49/78/603474978.db2.gz JZXGUXWFWZIQOZ-VIFPVBQESA-N -1 0 308.356 -0.047 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CC[C@@H](CNC(=O)[O-])C2)nn1 ZINC000828805530 603483084 /nfs/dbraw/zinc/48/30/84/603483084.db2.gz YVIZCNZZAHJVND-QMMMGPOBSA-N -1 0 311.298 -0.819 20 0 DBADRM C[S@](=O)CCN1CCN(C[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000829699480 603495401 /nfs/dbraw/zinc/49/54/01/603495401.db2.gz KVWKTTSWBQUKBY-YUNKPMOVSA-N -1 0 303.428 -0.018 20 0 DBADRM O=C([O-])N[C@@H](CC(=O)NC1=NCC(=O)N1)Cc1ccccc1 ZINC000832100385 603500326 /nfs/dbraw/zinc/50/03/26/603500326.db2.gz YDOWXZWZPGVBKK-SNVBAGLBSA-N -1 0 304.306 -0.143 20 0 DBADRM COC(=O)c1cn(CC(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)nn1 ZINC000828804245 603501673 /nfs/dbraw/zinc/50/16/73/603501673.db2.gz KIDBBFFORXRBMJ-MRVPVSSYSA-N -1 0 311.298 -0.725 20 0 DBADRM CCOCCO[C@@H](C)C(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000827404380 603503806 /nfs/dbraw/zinc/50/38/06/603503806.db2.gz FEIPGEKLUICOCA-NWDGAFQWSA-N -1 0 317.386 -0.162 20 0 DBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000828129970 603509607 /nfs/dbraw/zinc/50/96/07/603509607.db2.gz VZPBYYZTHPBVJO-QMMMGPOBSA-N -1 0 314.342 -0.273 20 0 DBADRM CN1CCN(C(=O)CCn2ccccc2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828501525 603513496 /nfs/dbraw/zinc/51/34/96/603513496.db2.gz WOTYVDZJSJYATD-LBPRGKRZSA-N -1 0 322.365 -0.351 20 0 DBADRM C[C@@H](CC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)NC(=O)[O-] ZINC000824622390 603515041 /nfs/dbraw/zinc/51/50/41/603515041.db2.gz LPIKWBVYCUVRBR-GXSJLCMTSA-N -1 0 313.354 -0.071 20 0 DBADRM CN(CC(=O)O[C@H]1CCC[C@@H]1CNC(=O)[O-])S(C)(=O)=O ZINC000828120550 603515261 /nfs/dbraw/zinc/51/52/61/603515261.db2.gz RCKWWHCXBUGNTH-BDAKNGLRSA-N -1 0 308.356 -0.143 20 0 DBADRM CCOC(=O)[C@H](C)OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739467706 603522349 /nfs/dbraw/zinc/52/23/49/603522349.db2.gz FRFLQRCWCXTINZ-QMMMGPOBSA-N -1 0 302.283 -0.697 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)CCSc2nnnn2C)C1 ZINC000827841686 603522981 /nfs/dbraw/zinc/52/29/81/603522981.db2.gz ZPZZGSVHCOOWRK-QMMMGPOBSA-N -1 0 314.371 -0.097 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)CCSc2nnnn2C)C1 ZINC000827841685 603523036 /nfs/dbraw/zinc/52/30/36/603523036.db2.gz ZPZZGSVHCOOWRK-MRVPVSSYSA-N -1 0 314.371 -0.097 20 0 DBADRM Cc1oc(C(=O)N(C)CCCNC(=O)[O-])cc1S(N)(=O)=O ZINC000830942624 603525315 /nfs/dbraw/zinc/52/53/15/603525315.db2.gz OOTKJWNFAVQLSJ-UHFFFAOYSA-N -1 0 319.339 -0.035 20 0 DBADRM O=C([O-])N[C@H]1CC[C@H](C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000832269736 603534467 /nfs/dbraw/zinc/53/44/67/603534467.db2.gz LNUQVGJCRKHFDK-UWVGGRQHSA-N -1 0 319.383 -0.426 20 0 DBADRM CN(CC(=O)NCC(=O)NC(C)(C)C)[C@H]1CCN(C(=O)[O-])C1 ZINC000828103105 603536240 /nfs/dbraw/zinc/53/62/40/603536240.db2.gz ZIFXWWIWQSBGKE-JTQLQIEISA-N -1 0 314.386 -0.299 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N(C)CC(=O)N1CCN(C)CC1 ZINC000824824461 603538540 /nfs/dbraw/zinc/53/85/40/603538540.db2.gz LWFSSIDVWFHWFK-LLVKDONJSA-N -1 0 314.386 -0.535 20 0 DBADRM Cn1cc(NC(=O)c2ccc(CNC(=O)[O-])o2)c(=O)n(C)c1=O ZINC000831014147 603542497 /nfs/dbraw/zinc/54/24/97/603542497.db2.gz OESBJQSFBRZCET-UHFFFAOYSA-N -1 0 322.277 -0.303 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@H](NS(C)(=O)=O)C1)NC(=O)[O-] ZINC000823917130 603547061 /nfs/dbraw/zinc/54/70/61/603547061.db2.gz CBWJFMGCMGBNLQ-QMMMGPOBSA-N -1 0 322.387 -0.634 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000827870471 603547242 /nfs/dbraw/zinc/54/72/42/603547242.db2.gz AYZSHSDGRNLJJS-ZETCQYMHSA-N -1 0 317.323 -0.249 20 0 DBADRM CC(C)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000824038991 603551355 /nfs/dbraw/zinc/55/13/55/603551355.db2.gz QCIXFKJAGAXEPF-UHFFFAOYSA-N -1 0 319.383 -0.521 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CC[C@H](N(C)C(=O)[O-])C1)C(C)C ZINC000828885675 603555461 /nfs/dbraw/zinc/55/54/61/603555461.db2.gz LLHJSQJYUKLGEK-JQWIXIFHSA-N -1 0 315.370 -0.016 20 0 DBADRM CC(=O)NCCCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000823579002 603559363 /nfs/dbraw/zinc/55/93/63/603559363.db2.gz CWUVJLRCBRLYPF-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])CCO2)cn1 ZINC000831000370 603559465 /nfs/dbraw/zinc/55/94/65/603559465.db2.gz XHEDHEYNSWICQE-UTUOFQBUSA-N -1 0 324.337 -0.567 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)[C@H]3COCCN3C(=O)[O-])CCO2)cn1 ZINC000831000270 603559655 /nfs/dbraw/zinc/55/96/55/603559655.db2.gz WXGKFRDOFGKPJX-NEPJUHHUSA-N -1 0 324.337 -0.301 20 0 DBADRM C[C@@H](CC(=O)N(C)C[C@@H](O)CN1CCOCC1)NC(=O)[O-] ZINC000824550666 603560727 /nfs/dbraw/zinc/56/07/27/603560727.db2.gz HGTYKWTXSVGYBW-WDEREUQCSA-N -1 0 303.359 -0.816 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)CC(C)(C)NC(=O)[O-] ZINC000828162977 603561533 /nfs/dbraw/zinc/56/15/33/603561533.db2.gz USLJHEYDTKJNED-LLVKDONJSA-N -1 0 317.386 -0.426 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000824968038 603562880 /nfs/dbraw/zinc/56/28/80/603562880.db2.gz YNKJVOIJESGLLR-VIFPVBQESA-N -1 0 319.387 -0.714 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)CC2CN(C(=O)[O-])C2)C1 ZINC000829687339 603563334 /nfs/dbraw/zinc/56/33/34/603563334.db2.gz KSRNATSFIAHELX-JTQLQIEISA-N -1 0 319.383 -0.474 20 0 DBADRM NC(=O)c1cccc(CCNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000831234960 603572246 /nfs/dbraw/zinc/57/22/46/603572246.db2.gz ZPWBHPFBIDBJLL-RYUDHWBXSA-N -1 0 321.333 -0.443 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000827044774 603574519 /nfs/dbraw/zinc/57/45/19/603574519.db2.gz CUCURQWADDJLBE-SNVBAGLBSA-N -1 0 321.399 -0.131 20 0 DBADRM CC(C)[C@@H](CCN(C)C(=O)CN1CC(=O)NC1=O)NC(=O)[O-] ZINC000824078334 603581787 /nfs/dbraw/zinc/58/17/87/603581787.db2.gz JHLWJEJDWJLFMH-SECBINFHSA-N -1 0 314.342 -0.321 20 0 DBADRM CN(CC(=O)N1CCCC1)CN1CC2(CN(C(=O)[O-])C2)CC1=O ZINC000828090992 603582747 /nfs/dbraw/zinc/58/27/47/603582747.db2.gz UFCZNBNETJSGBA-UHFFFAOYSA-N -1 0 324.381 -0.290 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NCCCN2C(=O)CNC2=O)C1 ZINC000832261407 603585792 /nfs/dbraw/zinc/58/57/92/603585792.db2.gz DUWWIONSIKYPKM-RKDXNWHRSA-N -1 0 312.326 -0.519 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CCCN(C)C(=O)[O-] ZINC000828579653 603585930 /nfs/dbraw/zinc/58/59/30/603585930.db2.gz OQHUCTXNSJZYJU-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM Cc1nnc2n1CCN(CN1CC3(CN(C(=O)[O-])C3)CC1=O)C2 ZINC000830893854 603589261 /nfs/dbraw/zinc/58/92/61/603589261.db2.gz OZZHZQKRVSXQCM-UHFFFAOYSA-N -1 0 320.353 -0.428 20 0 DBADRM O=C([O-])N1CC(OC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000831572429 603589397 /nfs/dbraw/zinc/58/93/97/603589397.db2.gz DFFVRVIAZVIZDC-UHFFFAOYSA-N -1 0 304.262 -0.303 20 0 DBADRM CN(CN1CC2(CN(C(=O)[O-])C2)CC1=O)[C@@H]1CCN(C)C1=O ZINC000828464356 603591809 /nfs/dbraw/zinc/59/18/09/603591809.db2.gz AIIQMCOELBYTAR-SNVBAGLBSA-N -1 0 310.354 -0.681 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NC[C@H]2CCCN(C(=O)[O-])C2)c1=O ZINC000830963448 603592374 /nfs/dbraw/zinc/59/23/74/603592374.db2.gz IOLZVEXGEBXAGT-MRVPVSSYSA-N -1 0 310.310 -0.394 20 0 DBADRM CNS(=O)(=O)CC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828580117 603593364 /nfs/dbraw/zinc/59/33/64/603593364.db2.gz VGMIQJKOGAHNCU-YUMQZZPRSA-N -1 0 323.371 -0.845 20 0 DBADRM CCOCCS(=O)(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000827405983 603596956 /nfs/dbraw/zinc/59/69/56/603596956.db2.gz XEUBPVPLBJFHST-SNVBAGLBSA-N -1 0 309.388 -0.764 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000824330119 603598930 /nfs/dbraw/zinc/59/89/30/603598930.db2.gz RZFSVTYXYSJOIE-SNVBAGLBSA-N -1 0 308.404 -0.545 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)OC[C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000825740381 603607106 /nfs/dbraw/zinc/60/71/06/603607106.db2.gz WFGQXZYIXFYRJV-MRVPVSSYSA-N -1 0 313.310 -0.140 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)OC[C@@H]1CCN(C(=O)[O-])C1 ZINC000824035679 603613840 /nfs/dbraw/zinc/61/38/40/603613840.db2.gz YGLHTZJUZUMMNY-MRVPVSSYSA-N -1 0 308.356 -0.143 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000823946218 603620922 /nfs/dbraw/zinc/62/09/22/603620922.db2.gz DSUFYSQCLGHVTG-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NCCS(N)(=O)=O ZINC000824196298 603622445 /nfs/dbraw/zinc/62/24/45/603622445.db2.gz IVOCIDCEFXVGQR-QMMMGPOBSA-N -1 0 310.376 -0.744 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)NCCS(N)(=O)=O ZINC000824196295 603622521 /nfs/dbraw/zinc/62/25/21/603622521.db2.gz IVOCIDCEFXVGQR-MRVPVSSYSA-N -1 0 310.376 -0.744 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000829688980 603628288 /nfs/dbraw/zinc/62/82/88/603628288.db2.gz YRSAIEHTSYZTDV-OPRDCNLKSA-N -1 0 319.383 -0.427 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CCO1 ZINC000823580474 603632111 /nfs/dbraw/zinc/63/21/11/603632111.db2.gz SWHSHVMSAZAOTR-GRYCIOLGSA-N -1 0 313.354 -0.214 20 0 DBADRM O=C(C[C@H]1CCS(=O)(=O)C1)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000831350882 603632408 /nfs/dbraw/zinc/63/24/08/603632408.db2.gz SMMXNKYILRNEGJ-PSASIEDQSA-N -1 0 319.335 -0.324 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCO[C@H](Cn3cncn3)C2)C1 ZINC000832252939 603633727 /nfs/dbraw/zinc/63/37/27/603633727.db2.gz DCENWNSHSPOCSW-TUAOUCFPSA-N -1 0 323.353 -0.058 20 0 DBADRM O=C([O-])N1CCC(=O)[C@@H](OC(=O)C[C@H]2C=CS(=O)(=O)C2)C1 ZINC000831300381 603634967 /nfs/dbraw/zinc/63/49/67/603634967.db2.gz WHAMJXLDWSQSEJ-SCZZXKLOSA-N -1 0 317.319 -0.201 20 0 DBADRM O=C([O-])N1CCC(=O)[C@@H](OC(=O)C[C@@H]2C=CS(=O)(=O)C2)C1 ZINC000831300383 603635353 /nfs/dbraw/zinc/63/53/53/603635353.db2.gz WHAMJXLDWSQSEJ-WPRPVWTQSA-N -1 0 317.319 -0.201 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC000832247292 603639567 /nfs/dbraw/zinc/63/95/67/603639567.db2.gz OMVNFLKENVGVHH-DAROEXNTSA-N -1 0 310.310 -0.767 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCNS(C)(=O)=O ZINC000826108578 603645492 /nfs/dbraw/zinc/64/54/92/603645492.db2.gz GYEUCIHSTWZKKH-YUMQZZPRSA-N -1 0 323.371 -0.845 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000823955896 603647520 /nfs/dbraw/zinc/64/75/20/603647520.db2.gz IOUWNUPTWTUTCN-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000828567040 603652599 /nfs/dbraw/zinc/65/25/99/603652599.db2.gz PIILUSCNLXLQJU-NWDGAFQWSA-N -1 0 321.333 -0.224 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCC(C)(C)NC(=O)[O-])o1 ZINC000828584902 603652783 /nfs/dbraw/zinc/65/27/83/603652783.db2.gz GRXGPUGSKUZONL-UHFFFAOYSA-N -1 0 319.339 -0.036 20 0 DBADRM CN(C)c1ncc(CNC(=O)N2CCN(C(=O)[O-])CC2)n1C ZINC000828081261 603655831 /nfs/dbraw/zinc/65/58/31/603655831.db2.gz PBXBTTZBJGQAFD-UHFFFAOYSA-N -1 0 310.358 -0.009 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825015368 603657081 /nfs/dbraw/zinc/65/70/81/603657081.db2.gz FDMBYROJGPUENZ-RKDXNWHRSA-N -1 0 307.372 -0.187 20 0 DBADRM CCn1cnnc1CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000827711511 603662277 /nfs/dbraw/zinc/66/22/77/603662277.db2.gz SSAQWOSOADBUMX-UHFFFAOYSA-N -1 0 324.385 -0.012 20 0 DBADRM C[C@@H]1CCCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]1CNC(=O)[O-] ZINC000825906752 603662857 /nfs/dbraw/zinc/66/28/57/603662857.db2.gz TXGYPOUNMAGEMW-NXEZZACHSA-N -1 0 321.399 -0.228 20 0 DBADRM NC(=O)c1ccc(F)c(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000831229859 603664597 /nfs/dbraw/zinc/66/45/97/603664597.db2.gz VDMMYCWLTMOIRG-XCBNKYQSSA-N -1 0 311.269 -0.024 20 0 DBADRM Cn1cc(/C=C\C(=O)NCC(C)(C)NC(=O)[O-])c(=O)n(C)c1=O ZINC000831000293 603666614 /nfs/dbraw/zinc/66/66/14/603666614.db2.gz XEJSEPIYQZCRSR-WAYWQWQTSA-N -1 0 324.337 -0.740 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NCCCN(C)C(=O)[O-] ZINC000827046347 603672439 /nfs/dbraw/zinc/67/24/39/603672439.db2.gz SRPHHMXITIHSSG-UHFFFAOYSA-N -1 0 309.388 -0.226 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)O[C@H]1CCCN(C(=O)[O-])C1 ZINC000824035383 603673226 /nfs/dbraw/zinc/67/32/26/603673226.db2.gz PNIZDUKBTRMQMI-QMMMGPOBSA-N -1 0 308.356 0.000 20 0 DBADRM COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000828684340 603674941 /nfs/dbraw/zinc/67/49/41/603674941.db2.gz SWSDKQXCKULWKU-OQPBUACISA-N -1 0 313.310 -0.092 20 0 DBADRM C[C@@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H]1CNC(=O)[O-] ZINC000825919550 603675957 /nfs/dbraw/zinc/67/59/57/603675957.db2.gz OQNFOUCVUQKFLC-PSASIEDQSA-N -1 0 324.337 -0.006 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000823946881 603676995 /nfs/dbraw/zinc/67/69/95/603676995.db2.gz MKJPJBDMNPYPNK-MRVPVSSYSA-N -1 0 307.372 -0.570 20 0 DBADRM CC(C)(C(=O)NC[C@@H]1COCCO1)N1CCN(C(=O)[O-])CC1 ZINC000823743398 603679851 /nfs/dbraw/zinc/67/98/51/603679851.db2.gz DTJBGXOBRNYDPA-LLVKDONJSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000824841204 603682661 /nfs/dbraw/zinc/68/26/61/603682661.db2.gz PQWRBWPKFCWKDV-SNVBAGLBSA-N -1 0 314.386 -0.360 20 0 DBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000829669879 603685579 /nfs/dbraw/zinc/68/55/79/603685579.db2.gz RLVKBOYDAXGMCS-BDAKNGLRSA-N -1 0 322.408 -0.068 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)C(C)(C)CNC(=O)[O-])CC2 ZINC000831050762 603695736 /nfs/dbraw/zinc/69/57/36/603695736.db2.gz QJXQJIXGQZHRJB-UHFFFAOYSA-N -1 0 308.338 -0.041 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1CNC(=O)[O-])C(N)=O ZINC000823585711 603703521 /nfs/dbraw/zinc/70/35/21/603703521.db2.gz MSECWBAXSAVOBG-ZJUUUORDSA-N -1 0 314.342 -0.985 20 0 DBADRM CNC(=O)C1CCC(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000828531980 603706026 /nfs/dbraw/zinc/70/60/26/603706026.db2.gz MCTLEIKZUROYRQ-TVUZUIDESA-N -1 0 313.354 -0.479 20 0 DBADRM CNC(=O)C1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000828531978 603706393 /nfs/dbraw/zinc/70/63/93/603706393.db2.gz MCTLEIKZUROYRQ-LXKPXOPUSA-N -1 0 313.354 -0.479 20 0 DBADRM CN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@H]1CCN(C(=O)[O-])C1 ZINC000827773925 603708130 /nfs/dbraw/zinc/70/81/30/603708130.db2.gz DYKLSRYOZQXCFF-VIFPVBQESA-N -1 0 321.399 -0.085 20 0 DBADRM COCCS(=O)(=O)CC(=O)N(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000829018730 603715341 /nfs/dbraw/zinc/71/53/41/603715341.db2.gz VPSSEHHUZWLIEL-VIFPVBQESA-N -1 0 308.356 -0.742 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000823754524 603715382 /nfs/dbraw/zinc/71/53/82/603715382.db2.gz NMKYMRSIYGHELZ-RKDXNWHRSA-N -1 0 301.343 -0.622 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCCCO[C@@H]1CCOC1 ZINC000831533891 603716041 /nfs/dbraw/zinc/71/60/41/603716041.db2.gz SFLXAXCNZMHYHQ-SNVBAGLBSA-N -1 0 302.327 -0.323 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000824368587 603719664 /nfs/dbraw/zinc/71/96/64/603719664.db2.gz NODBPFHUTYPFQZ-LLVKDONJSA-N -1 0 314.386 -0.347 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000832662083 603719952 /nfs/dbraw/zinc/71/99/52/603719952.db2.gz IFNWRAVHABVCPO-MNOVXSKESA-N -1 0 302.327 -0.323 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000831272847 603720608 /nfs/dbraw/zinc/72/06/08/603720608.db2.gz LVKNLNNUBQBSRY-NNYUYHANSA-N -1 0 314.338 -0.494 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000831272848 603720730 /nfs/dbraw/zinc/72/07/30/603720730.db2.gz LVKNLNNUBQBSRY-YFKTTZPYSA-N -1 0 314.338 -0.494 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000831272845 603720777 /nfs/dbraw/zinc/72/07/77/603720777.db2.gz LVKNLNNUBQBSRY-BJDJZHNGSA-N -1 0 314.338 -0.494 20 0 DBADRM COCCn1nc(C(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)ccc1=O ZINC000829035245 603721437 /nfs/dbraw/zinc/72/14/37/603721437.db2.gz HNVHNPZWRMFWTL-SNVBAGLBSA-N -1 0 324.337 -0.286 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])CC2 ZINC000830893349 603723860 /nfs/dbraw/zinc/72/38/60/603723860.db2.gz LFOJRSXBSVVFTD-BBBLOLIVSA-N -1 0 309.326 -0.869 20 0 DBADRM CCN(CC(=O)N1CCN(c2nccn(C)c2=O)CC1)C(=O)[O-] ZINC000826996568 603727662 /nfs/dbraw/zinc/72/76/62/603727662.db2.gz COOBDYIBHDVQFK-UHFFFAOYSA-N -1 0 323.353 -0.571 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000831757989 603732112 /nfs/dbraw/zinc/73/21/12/603732112.db2.gz RSLOXGPCDALYHP-ZJUUUORDSA-N -1 0 318.293 -0.082 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000824020891 603736763 /nfs/dbraw/zinc/73/67/63/603736763.db2.gz YUFUAWUCMHKMLZ-IUCAKERBSA-N -1 0 321.399 -0.133 20 0 DBADRM COc1cccc(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)n1 ZINC000829536924 603737206 /nfs/dbraw/zinc/73/72/06/603737206.db2.gz AMGNDCOZWUJPND-UHFFFAOYSA-N -1 0 322.321 -0.358 20 0 DBADRM NC(=O)CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000831185604 603739123 /nfs/dbraw/zinc/73/91/23/603739123.db2.gz WLCGCYRTQHCRPQ-GARJFASQSA-N -1 0 313.354 -0.396 20 0 DBADRM COC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000828731533 603739165 /nfs/dbraw/zinc/73/91/65/603739165.db2.gz WCISHILSDSCPGD-GUBZILKMSA-N -1 0 300.311 -0.489 20 0 DBADRM COC(=O)C1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000828630865 603740326 /nfs/dbraw/zinc/74/03/26/603740326.db2.gz LAZDQILSVSVMDA-UHFFFAOYSA-N -1 0 300.311 -0.223 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NCCN(C(=O)[O-])C1CC1 ZINC000827046287 603740456 /nfs/dbraw/zinc/74/04/56/603740456.db2.gz QTHQHDFIXYNSNI-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM Cn1cccc1CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000831026748 603740588 /nfs/dbraw/zinc/74/05/88/603740588.db2.gz LNCVIAYUEVIZNM-UHFFFAOYSA-N -1 0 323.353 -0.354 20 0 DBADRM COCCN(CC(=O)N1CCOC[C@H]1C(=O)OC)C(=O)[O-] ZINC000828970593 603743636 /nfs/dbraw/zinc/74/36/36/603743636.db2.gz BDYFPZWCGSYMST-VIFPVBQESA-N -1 0 304.299 -0.987 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828639311 603743909 /nfs/dbraw/zinc/74/39/09/603743909.db2.gz FZXYSLYUKMGARP-UTLUCORTSA-N -1 0 300.311 -0.177 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCc1nnc2n1CCCCC2 ZINC000831537803 603744217 /nfs/dbraw/zinc/74/42/17/603744217.db2.gz MEFAMCNJKUMRRJ-UHFFFAOYSA-N -1 0 323.353 -0.001 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000825179292 603745391 /nfs/dbraw/zinc/74/53/91/603745391.db2.gz YDAOXDXNXBRREH-YIZRAAEISA-N -1 0 307.372 -0.523 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCCN1CCOC1=O ZINC000831676431 603746996 /nfs/dbraw/zinc/74/69/96/603746996.db2.gz OYJQPARKUQTJDM-DTWKUNHWSA-N -1 0 301.299 -0.942 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)NCCNC(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825793999 603747454 /nfs/dbraw/zinc/74/74/54/603747454.db2.gz DWYJCYXTBHCXMZ-PSASIEDQSA-N -1 0 324.341 -0.519 20 0 DBADRM COC(=O)N1CCC(NC(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000828704880 603749226 /nfs/dbraw/zinc/74/92/26/603749226.db2.gz PVZOXPMKHIOETF-UHFFFAOYSA-N -1 0 315.326 -0.288 20 0 DBADRM C[C@@H](OC(=O)C(C)(C)CNC(=O)[O-])C(=O)N1CCNC1=O ZINC000825534331 603749455 /nfs/dbraw/zinc/74/94/55/603749455.db2.gz AYLYUJBSANDSJS-SSDOTTSWSA-N -1 0 301.299 -0.236 20 0 DBADRM CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826853204 603755692 /nfs/dbraw/zinc/75/56/92/603755692.db2.gz JHNMDTIFEXFZLG-NXEZZACHSA-N -1 0 321.399 -0.085 20 0 DBADRM C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])[C@H](C)N1CCOCC1 ZINC000825081543 603757250 /nfs/dbraw/zinc/75/72/50/603757250.db2.gz FECDEQAUGHETJL-BJDJZHNGSA-N -1 0 315.370 -0.675 20 0 DBADRM C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])N1CCOCC1 ZINC000825081544 603757477 /nfs/dbraw/zinc/75/74/77/603757477.db2.gz FECDEQAUGHETJL-QCNOEVLYSA-N -1 0 315.370 -0.675 20 0 DBADRM CCc1nnc2n1CCN(C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])C2 ZINC000827657340 603759792 /nfs/dbraw/zinc/75/97/92/603759792.db2.gz YNWZSOQLQFLHLO-RKDXNWHRSA-N -1 0 309.326 -0.704 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)C(C)(C)NC(=O)[O-] ZINC000828312308 603762905 /nfs/dbraw/zinc/76/29/05/603762905.db2.gz LFDXRMXUPBAMLC-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM NC(=O)NC1CCN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CC1 ZINC000831209117 603763599 /nfs/dbraw/zinc/76/35/99/603763599.db2.gz ZZNHQVOKOULJQB-SNVBAGLBSA-N -1 0 313.358 -0.029 20 0 DBADRM O=C([O-])N1CCC(=O)[C@@H](OC(=O)Cc2nc3ncccn3n2)C1 ZINC000831567540 603766899 /nfs/dbraw/zinc/76/68/99/603766899.db2.gz RFPUALIFGOWWKD-VIFPVBQESA-N -1 0 319.277 -0.469 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)cn1 ZINC000830814161 603771357 /nfs/dbraw/zinc/77/13/57/603771357.db2.gz YZPGSHGQPLHDHV-SNVBAGLBSA-N -1 0 307.310 -0.066 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000827961289 603772292 /nfs/dbraw/zinc/77/22/92/603772292.db2.gz TXDQCXYXMNVVDP-SECBINFHSA-N -1 0 317.367 -0.645 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)C1 ZINC000827960480 603772479 /nfs/dbraw/zinc/77/24/79/603772479.db2.gz JJOCTSYVVGWMRW-ZJUUUORDSA-N -1 0 313.354 -0.262 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000827959745 603772581 /nfs/dbraw/zinc/77/25/81/603772581.db2.gz CIIFJLBZQFJMPC-JTQLQIEISA-N -1 0 313.354 -0.308 20 0 DBADRM CC[C@H](NC(=O)[C@@H](C)CN(C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000826592859 603773725 /nfs/dbraw/zinc/77/37/25/603773725.db2.gz ODLVMFVKWDVOCW-QWRGUYRKSA-N -1 0 315.370 -0.014 20 0 DBADRM CC[C@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000826594623 603774021 /nfs/dbraw/zinc/77/40/21/603774021.db2.gz XCNBTFUEYAKMDR-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM CC[C@H](NC(=O)CN(CC)C(=O)[O-])C(=O)N1CCOCC1 ZINC000826601867 603774054 /nfs/dbraw/zinc/77/40/54/603774054.db2.gz YJONSKRDOLFRMQ-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])cnn1C ZINC000829877557 603778038 /nfs/dbraw/zinc/77/80/38/603778038.db2.gz OFRJPSNOLLBMND-SECBINFHSA-N -1 0 309.326 -0.074 20 0 DBADRM CNC(=O)Cc1noc(CN2CCCC[C@H]2CNC(=O)[O-])n1 ZINC000828547205 603780161 /nfs/dbraw/zinc/78/01/61/603780161.db2.gz MVMRDIDGHFFAEZ-VIFPVBQESA-N -1 0 311.342 -0.020 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000824182188 603780731 /nfs/dbraw/zinc/78/07/31/603780731.db2.gz IANZYJRVIRYRQA-RKDXNWHRSA-N -1 0 309.388 -0.277 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000827264655 603780951 /nfs/dbraw/zinc/78/09/51/603780951.db2.gz CHAHMIWJOCMZLH-VIFPVBQESA-N -1 0 322.387 -0.681 20 0 DBADRM O=C(COC(=O)[C@]1(F)CCN(C(=O)[O-])C1)NC[C@@H]1CCCO1 ZINC000831499684 603782628 /nfs/dbraw/zinc/78/26/28/603782628.db2.gz UOMNNWGKNHGVSK-ZANVPECISA-N -1 0 318.301 -0.083 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000829733515 603785263 /nfs/dbraw/zinc/78/52/63/603785263.db2.gz ZQEPCKSRIGXRPC-RKDXNWHRSA-N -1 0 316.383 -0.388 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000831283527 603785391 /nfs/dbraw/zinc/78/53/91/603785391.db2.gz OQSOTCZLPJTWDD-JGVFFNPUSA-N -1 0 300.340 -0.725 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 ZINC000831895358 603785702 /nfs/dbraw/zinc/78/57/02/603785702.db2.gz MXBDCFNQKCPDDH-PELKAZGASA-N -1 0 300.290 -0.686 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)N2CCN3C(=O)NC[C@H]3C2)C1 ZINC000831895364 603785738 /nfs/dbraw/zinc/78/57/38/603785738.db2.gz MXBDCFNQKCPDDH-QPUJVOFHSA-N -1 0 300.290 -0.686 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000831273690 603786799 /nfs/dbraw/zinc/78/67/99/603786799.db2.gz SMWDRKFAPUHSBO-NXEZZACHSA-N -1 0 321.337 -0.389 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)OCC(=O)N2CCCC2=O)C1 ZINC000831914847 603788076 /nfs/dbraw/zinc/78/80/76/603788076.db2.gz QYWFDUKXXQSFLK-GFCCVEGCSA-N -1 0 302.258 -0.229 20 0 DBADRM Cc1cc(C)n(C2CN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])C2)n1 ZINC000830017236 603788705 /nfs/dbraw/zinc/78/87/05/603788705.db2.gz NKHNLJFAAPJSTE-VXGBXAGGSA-N -1 0 308.338 -0.004 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N[C@H]1CCN(C(N)=O)C1 ZINC000826110121 603790132 /nfs/dbraw/zinc/79/01/32/603790132.db2.gz OSWIVNMKWQRHGQ-XHNCKOQMSA-N -1 0 314.342 -0.241 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N[C@H]1CCN(C(N)=O)C1 ZINC000826110117 603790252 /nfs/dbraw/zinc/79/02/52/603790252.db2.gz OSWIVNMKWQRHGQ-CIUDSAMLSA-N -1 0 314.342 -0.241 20 0 DBADRM CN(C)c1ncc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])n1C ZINC000828078107 603790368 /nfs/dbraw/zinc/79/03/68/603790368.db2.gz UZOIHAYZLPHFFL-ZJUUUORDSA-N -1 0 311.342 -0.785 20 0 DBADRM CC[C@H](NC(=O)C[C@H](C)NC(=O)[O-])C(=O)N1CCOCC1 ZINC000826591487 603790642 /nfs/dbraw/zinc/79/06/42/603790642.db2.gz AHDLIJCTJSBOBD-UWVGGRQHSA-N -1 0 301.343 -0.214 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000828602397 603791046 /nfs/dbraw/zinc/79/10/46/603791046.db2.gz VVKBCDQRHXZSKR-DTWKUNHWSA-N -1 0 308.356 -0.191 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000828601159 603793384 /nfs/dbraw/zinc/79/33/84/603793384.db2.gz NCURGSQVBHWVMB-RKDXNWHRSA-N -1 0 308.356 -0.191 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)OCC(=O)NC(=O)NC2CC2)C1 ZINC000831500350 603795595 /nfs/dbraw/zinc/79/55/95/603795595.db2.gz WLFXRFALQZFQKK-LBPRGKRZSA-N -1 0 317.273 -0.390 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CC[C@H](N(C)C(=O)[O-])C2)CC1 ZINC000823555498 603796531 /nfs/dbraw/zinc/79/65/31/603796531.db2.gz DMOCGUBDKGSJCF-LBPRGKRZSA-N -1 0 312.370 -0.639 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)OCCCN2C(=O)CNC2=O)C1 ZINC000831915185 603799599 /nfs/dbraw/zinc/79/95/99/603799599.db2.gz VLEXUBDHTLABAA-GFCCVEGCSA-N -1 0 317.273 -0.437 20 0 DBADRM NC(=O)c1ccc(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)nc1 ZINC000831222984 603799626 /nfs/dbraw/zinc/79/96/26/603799626.db2.gz UEICPVDPUBNJIC-JTQLQIEISA-N -1 0 307.262 -0.341 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000827248512 603800394 /nfs/dbraw/zinc/80/03/94/603800394.db2.gz CMHCROMPJYJKGB-KRTXAFLBSA-N -1 0 319.289 -0.144 20 0 DBADRM CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])CC2 ZINC000827642498 603801421 /nfs/dbraw/zinc/80/14/21/603801421.db2.gz ITEXOLQNPBQOJE-OPRDCNLKSA-N -1 0 323.353 -0.615 20 0 DBADRM COC(=O)C1(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CCCC1 ZINC000828618831 603803508 /nfs/dbraw/zinc/80/35/08/603803508.db2.gz QWROZBVAKKKYCW-ZJUUUORDSA-N -1 0 314.338 -0.051 20 0 DBADRM Cc1cc(N2CC[C@H](OC(=O)CN(C)C(=O)[O-])C2=O)n(C)n1 ZINC000830077327 603803674 /nfs/dbraw/zinc/80/36/74/603803674.db2.gz DCEGVFDSMKAYPM-VIFPVBQESA-N -1 0 310.310 -0.013 20 0 DBADRM CNC(=O)c1ccc(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)cn1 ZINC000828557727 603805908 /nfs/dbraw/zinc/80/59/08/603805908.db2.gz SANCAXDGPJYHRU-NSHDSACASA-N -1 0 321.289 -0.081 20 0 DBADRM COC(=O)[C@H]1COCCN1C(=O)CN(CC1CC1)C(=O)[O-] ZINC000828642258 603806106 /nfs/dbraw/zinc/80/61/06/603806106.db2.gz UKCFGMGVAGEIMT-SNVBAGLBSA-N -1 0 300.311 -0.223 20 0 DBADRM COC(=O)[C@H]1COCCN1C(=O)C1CCN(C(=O)[O-])CC1 ZINC000828639323 603808080 /nfs/dbraw/zinc/80/80/80/603808080.db2.gz GGCXPCVCAUGWQP-SNVBAGLBSA-N -1 0 300.311 -0.223 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000828640128 603808149 /nfs/dbraw/zinc/80/81/49/603808149.db2.gz JSGQXEHTPAOBGB-UWVGGRQHSA-N -1 0 300.311 -0.081 20 0 DBADRM Cn1cc([C@@H]2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])C2)cn1 ZINC000830995331 603808127 /nfs/dbraw/zinc/80/81/27/603808127.db2.gz YZJQPWYFPNWZFW-YUSALJHKSA-N -1 0 308.338 -0.151 20 0 DBADRM COCCCn1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])n1 ZINC000828964212 603809604 /nfs/dbraw/zinc/80/96/04/603809604.db2.gz PDGCIRRDIZPVTQ-ZJUUUORDSA-N -1 0 312.326 -0.029 20 0 DBADRM COCCOC1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000828994942 603812058 /nfs/dbraw/zinc/81/20/58/603812058.db2.gz BISRETNDMAFVMP-PWSUYJOCSA-N -1 0 316.354 -0.246 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NCCCN2CCOCC2)C1 ZINC000831903720 603816175 /nfs/dbraw/zinc/81/61/75/603816175.db2.gz ZOUACHWNFCXRPX-CYBMUJFWSA-N -1 0 303.334 -0.083 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCC[C@H](O)C(F)(F)F ZINC000831659341 603817846 /nfs/dbraw/zinc/81/78/46/603817846.db2.gz GYYFIRZYXDZOBT-VQVTYTSYSA-N -1 0 300.233 -0.471 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000825177499 603817894 /nfs/dbraw/zinc/81/78/94/603817894.db2.gz LAHMPNJMCTVLTO-HHURGBBESA-N -1 0 312.326 -0.521 20 0 DBADRM C[C@@H](NC(=O)CN1CC[C@@H](N(C)C(=O)[O-])C1)C(=O)N(C)C ZINC000825122234 603819218 /nfs/dbraw/zinc/81/92/18/603819218.db2.gz QBVUIIHYVYFFSF-NXEZZACHSA-N -1 0 300.359 -0.737 20 0 DBADRM C[C@@H](NC(=O)CN1CC[C@H](N(C)C(=O)[O-])C1)C(=O)N(C)C ZINC000825122239 603819630 /nfs/dbraw/zinc/81/96/30/603819630.db2.gz QBVUIIHYVYFFSF-ZJUUUORDSA-N -1 0 300.359 -0.737 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000828551737 603820340 /nfs/dbraw/zinc/82/03/40/603820340.db2.gz GIKWMZNFIIDCEV-YUMQZZPRSA-N -1 0 301.299 -0.094 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000829683914 603821430 /nfs/dbraw/zinc/82/14/30/603821430.db2.gz YNZJUZWTZRRARY-NSHDSACASA-N -1 0 323.346 -0.818 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)C2(NC(=O)[O-])CCCC2)C1 ZINC000827959676 603821806 /nfs/dbraw/zinc/82/18/06/603821806.db2.gz AWNOPZBGMLSCGU-UHFFFAOYSA-N -1 0 313.354 -0.118 20 0 DBADRM CCn1nc(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)ccc1=O ZINC000827711677 603821971 /nfs/dbraw/zinc/82/19/71/603821971.db2.gz XSMZTYOCISEWKL-JTQLQIEISA-N -1 0 309.278 -0.259 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000829675079 603822459 /nfs/dbraw/zinc/82/24/59/603822459.db2.gz VHHIUJLBXHNHMI-VHSXEESVSA-N -1 0 322.383 -0.400 20 0 DBADRM CC(C)[C@@H](CCN(C)CC(=O)N1CCNC(=O)C1)NC(=O)[O-] ZINC000824100681 603823086 /nfs/dbraw/zinc/82/30/86/603823086.db2.gz YQTXFGBCMWMSKJ-LLVKDONJSA-N -1 0 314.386 -0.441 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000831273983 603824406 /nfs/dbraw/zinc/82/44/06/603824406.db2.gz UUBDASFWESSPDH-GJMOJQLCSA-N -1 0 312.244 -0.111 20 0 DBADRM NC(=O)CN1CCC(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000831189575 603825403 /nfs/dbraw/zinc/82/54/03/603825403.db2.gz BZQBZYKFAUFMCB-ZDUSSCGKSA-N -1 0 316.333 -0.856 20 0 DBADRM COCCCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000828950666 603827082 /nfs/dbraw/zinc/82/70/82/603827082.db2.gz OVYGFQWMFLZYBB-AEJSXWLSSA-N -1 0 318.326 -0.816 20 0 DBADRM NC(=O)c1nccnc1C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000831238926 603827256 /nfs/dbraw/zinc/82/72/56/603827256.db2.gz BMIYKWAGWSRXAU-UHFFFAOYSA-N -1 0 307.310 -0.116 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000827517704 603827932 /nfs/dbraw/zinc/82/79/32/603827932.db2.gz APNDUZRRYXJQPR-IUCAKERBSA-N -1 0 312.326 -0.473 20 0 DBADRM C[C@H](OC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])C(=O)Nc1ncccn1 ZINC000825550749 603827927 /nfs/dbraw/zinc/82/79/27/603827927.db2.gz CDSWIVBINYYSPZ-CIUDSAMLSA-N -1 0 324.293 -0.540 20 0 DBADRM CCCCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000826836421 603830745 /nfs/dbraw/zinc/83/07/45/603830745.db2.gz KORSCHIALIOPCS-GUBZILKMSA-N -1 0 302.327 -0.052 20 0 DBADRM CNC(=O)Cc1noc(CN2CCC(CNC(=O)[O-])CC2)n1 ZINC000828547156 603831058 /nfs/dbraw/zinc/83/10/58/603831058.db2.gz LYYINHANCSYTPE-UHFFFAOYSA-N -1 0 311.342 -0.162 20 0 DBADRM NC(=O)C1(CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCOCC1 ZINC000831167746 603839893 /nfs/dbraw/zinc/83/98/93/603839893.db2.gz OUDUVDALFMPYIS-ZDUSSCGKSA-N -1 0 317.317 -0.523 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000827045890 603840372 /nfs/dbraw/zinc/84/03/72/603840372.db2.gz MKBGPDLUQGJIOG-SNVBAGLBSA-N -1 0 321.399 -0.131 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)NCCCN(C)C(=O)[O-])CCO1 ZINC000828663728 603841706 /nfs/dbraw/zinc/84/17/06/603841706.db2.gz QFJVMATVUOLJFL-JTQLQIEISA-N -1 0 317.342 -0.040 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCC[C@H]1NC(=O)[O-])C(=O)N1CCNC1=O ZINC000825561851 603846613 /nfs/dbraw/zinc/84/66/13/603846613.db2.gz RLOGYVJGTCGKSR-XHNCKOQMSA-N -1 0 313.310 -0.094 20 0 DBADRM NS(=O)(=O)CCNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000831244633 603846806 /nfs/dbraw/zinc/84/68/06/603846806.db2.gz BKASQAJHUCOLMJ-PBINXNQUSA-N -1 0 319.383 -0.298 20 0 DBADRM COC(=O)N1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000828705678 603853434 /nfs/dbraw/zinc/85/34/34/603853434.db2.gz YDFGIJQAEDGVBN-GFCCVEGCSA-N -1 0 303.290 -0.011 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)C(=O)NC(N)=O ZINC000825559435 603855409 /nfs/dbraw/zinc/85/54/09/603855409.db2.gz DBBUWUDCFQIPCN-XLPZGREQSA-N -1 0 301.299 -0.061 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000824387373 603857993 /nfs/dbraw/zinc/85/79/93/603857993.db2.gz DTRLNQIOLYNOCK-BBBLOLIVSA-N -1 0 302.327 -0.197 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CCC[C@@H]2CNC(=O)[O-])n1C ZINC000830887581 603862758 /nfs/dbraw/zinc/86/27/58/603862758.db2.gz ODAWCTPKRJHHAH-LLVKDONJSA-N -1 0 324.385 -0.186 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N)C(=O)[O-] ZINC000828211888 603865602 /nfs/dbraw/zinc/86/56/02/603865602.db2.gz MPFWTQLWIFMJRM-ZCFIWIBFSA-N -1 0 311.298 -0.316 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000831901302 603866649 /nfs/dbraw/zinc/86/66/49/603866649.db2.gz GKKQEXMDOFIXHN-LLVKDONJSA-N -1 0 323.346 -0.770 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CCN2C(=O)NC[C@@H]2C1)NC(=O)[O-] ZINC000824117680 603868460 /nfs/dbraw/zinc/86/84/60/603868460.db2.gz QVSGCOBLNYXANZ-ZJUUUORDSA-N -1 0 313.358 -0.302 20 0 DBADRM Cc1nnc(CN(C)CC(=O)NCC(C)(C)NC(=O)[O-])n1C ZINC000830887816 603870745 /nfs/dbraw/zinc/87/07/45/603870745.db2.gz UASNHHSUPINXJD-UHFFFAOYSA-N -1 0 312.374 -0.282 20 0 DBADRM C[C@@]1(C(=O)N2CCC3(CC2)NC(=O)NC3=O)CCN(C(=O)[O-])C1 ZINC000825650905 603871133 /nfs/dbraw/zinc/87/11/33/603871133.db2.gz SADSTGWIXTYBEF-CYBMUJFWSA-N -1 0 324.337 -0.423 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)N1CCN2C(=O)NC[C@@H]2C1)C1CC1 ZINC000832420752 603872051 /nfs/dbraw/zinc/87/20/51/603872051.db2.gz HEXIZEBRNVEHDA-NXEZZACHSA-N -1 0 311.342 -0.548 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000827475250 603877787 /nfs/dbraw/zinc/87/77/87/603877787.db2.gz HQLFSUIBJQNJAJ-NSHDSACASA-N -1 0 307.372 -0.568 20 0 DBADRM CC[C@H](O)CN1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000826626237 603883667 /nfs/dbraw/zinc/88/36/67/603883667.db2.gz SYAWQDOJGZQOIN-SMDDNHRTSA-N -1 0 317.361 -0.007 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000825527592 603883747 /nfs/dbraw/zinc/88/37/47/603883747.db2.gz FEMIZYVLMRVCNS-ZWNOBZJWSA-N -1 0 303.334 -0.397 20 0 DBADRM Cn1cc(N2CCN(C(=O)COCCNC(=O)[O-])CC2)cn1 ZINC000831009495 603884195 /nfs/dbraw/zinc/88/41/95/603884195.db2.gz VWZLFCJQNVWJOY-UHFFFAOYSA-N -1 0 311.342 -0.647 20 0 DBADRM CNC(=O)CC1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000828532351 603886466 /nfs/dbraw/zinc/88/64/66/603886466.db2.gz RENINOZBSXIVGM-GHMZBOCLSA-N -1 0 313.354 -0.526 20 0 DBADRM C[C@H](C(=O)NCCN1CCN(C(=O)[O-])CC1)c1cnn(C)c1 ZINC000823691814 603889211 /nfs/dbraw/zinc/88/92/11/603889211.db2.gz BJJMCLYSVNCTPQ-NSHDSACASA-N -1 0 309.370 -0.065 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)cn1 ZINC000828547840 603890787 /nfs/dbraw/zinc/89/07/87/603890787.db2.gz YGHZCADUNYWHGU-ZDUSSCGKSA-N -1 0 309.326 -0.042 20 0 DBADRM Cc1cccnc1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000830595333 603892981 /nfs/dbraw/zinc/89/29/81/603892981.db2.gz MSNRKBHBWNYLAJ-UHFFFAOYSA-N -1 0 306.322 -0.058 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC1CCN(C(=O)[O-])CC1 ZINC000828670780 603894494 /nfs/dbraw/zinc/89/44/94/603894494.db2.gz KEBZSKGORCSZPT-UHFFFAOYSA-N -1 0 323.371 -0.542 20 0 DBADRM COCCCNC(=O)[C@H](C)OC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000828950873 603898936 /nfs/dbraw/zinc/89/89/36/603898936.db2.gz VETYPNNPJGUUFW-VHSXEESVSA-N -1 0 318.326 -0.550 20 0 DBADRM C[C@H](OC(=O)[C@@H]1COCCN1C(=O)[O-])C(=O)Nc1ncccn1 ZINC000825570885 603901763 /nfs/dbraw/zinc/90/17/63/603901763.db2.gz LULVTWIBRVKPTL-IUCAKERBSA-N -1 0 324.293 -0.274 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000827248485 603901777 /nfs/dbraw/zinc/90/17/77/603901777.db2.gz BZUMULOJXICXKH-HTQZYQBOSA-N -1 0 317.298 -0.857 20 0 DBADRM CN(CC1CC1)C(=O)COC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000828167700 603902632 /nfs/dbraw/zinc/90/26/32/603902632.db2.gz BUQUYMHJXPTYIK-JTQLQIEISA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000826093777 603903983 /nfs/dbraw/zinc/90/39/83/603903983.db2.gz LNQXPPSNCXAQEO-LDYMZIIASA-N -1 0 308.331 -0.276 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000831208614 603908242 /nfs/dbraw/zinc/90/82/42/603908242.db2.gz SOGYPQNIQBOKPA-UHFFFAOYSA-N -1 0 308.294 -0.231 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)CC1CCN(C(=O)[O-])CC1 ZINC000831199746 603908408 /nfs/dbraw/zinc/90/84/08/603908408.db2.gz IJLUHJJWXPQVKG-UHFFFAOYSA-N -1 0 300.315 -0.532 20 0 DBADRM O=C([O-])N1CCN(CCCNS(=O)(=O)[C@H]2CCOC2)CC1 ZINC000832031442 603912431 /nfs/dbraw/zinc/91/24/31/603912431.db2.gz MWPOOJDNYZHBKT-NSHDSACASA-N -1 0 321.399 -0.620 20 0 DBADRM Cc1oc(C(=O)NCCNC(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000830942276 603915637 /nfs/dbraw/zinc/91/56/37/603915637.db2.gz HNJYROLFQFTMHC-UHFFFAOYSA-N -1 0 319.339 -0.164 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)OC ZINC000828646403 603921381 /nfs/dbraw/zinc/92/13/81/603921381.db2.gz IPXCFWAKDKGAOX-JMCQJSRRSA-N -1 0 320.273 -0.701 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)C[C@H]1C ZINC000825527391 603925987 /nfs/dbraw/zinc/92/59/87/603925987.db2.gz CODUTOOPZGDCNL-SUNKGSAMSA-N -1 0 317.361 -0.008 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)C[C@@H]1C ZINC000825527390 603925996 /nfs/dbraw/zinc/92/59/96/603925996.db2.gz CODUTOOPZGDCNL-MJVIPROJSA-N -1 0 317.361 -0.008 20 0 DBADRM NC(=O)c1ccc(CNC(=O)[C@@H]2COCCN2C(=O)[O-])cn1 ZINC000831223140 603927853 /nfs/dbraw/zinc/92/78/53/603927853.db2.gz XJQDPDKTKLNJIW-JTQLQIEISA-N -1 0 308.294 -0.825 20 0 DBADRM NC(=O)c1ccc(CNC(=O)[C@H]2CSCN2C(=O)[O-])cn1 ZINC000831223092 603927920 /nfs/dbraw/zinc/92/79/20/603927920.db2.gz VVPDZFPRJMLCAG-SECBINFHSA-N -1 0 310.335 -0.150 20 0 DBADRM NC(=O)c1ccc(CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)cn1 ZINC000831222662 603927943 /nfs/dbraw/zinc/92/79/43/603927943.db2.gz OIICMMDAYKFKHG-ZDUSSCGKSA-N -1 0 310.285 -0.111 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NC1CCS(=O)(=O)CC1 ZINC000831603568 603935800 /nfs/dbraw/zinc/93/58/00/603935800.db2.gz FMUHENNQRGOAPV-QMMMGPOBSA-N -1 0 308.381 -0.267 20 0 DBADRM C[C@@]1(C(=O)N2CC[C@H](S(N)(=O)=O)C2)CCN(C(=O)[O-])C1 ZINC000825650941 603939263 /nfs/dbraw/zinc/93/92/63/603939263.db2.gz SOYCYRRDLNQCLS-GZMMTYOYSA-N -1 0 305.356 -0.734 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000827248418 603946608 /nfs/dbraw/zinc/94/66/08/603946608.db2.gz ACTQKFBZLHVSOZ-QMMMGPOBSA-N -1 0 301.299 -0.092 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000828552433 603948939 /nfs/dbraw/zinc/94/89/39/603948939.db2.gz QRNGFUAKUSHBBJ-YUMQZZPRSA-N -1 0 301.299 -0.094 20 0 DBADRM COC(=O)C[C@@H](C)N1CCN(C(=O)[C@@H](C)NC(=O)[O-])CC1 ZINC000828647406 603954077 /nfs/dbraw/zinc/95/40/77/603954077.db2.gz PRDITUJSEZTUGS-NXEZZACHSA-N -1 0 301.343 -0.262 20 0 DBADRM COC(=O)C[C@H](C)N1CCN(C(=O)[C@@H](C)NC(=O)[O-])CC1 ZINC000828647408 603954241 /nfs/dbraw/zinc/95/42/41/603954241.db2.gz PRDITUJSEZTUGS-VHSXEESVSA-N -1 0 301.343 -0.262 20 0 DBADRM CCCOCC(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000826934589 603955827 /nfs/dbraw/zinc/95/58/27/603955827.db2.gz FQPAMCCMQGYVRN-UHFFFAOYSA-N -1 0 312.330 -0.030 20 0 DBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)Cc3cc[nH]n3)n2)CC1 ZINC000831562256 603957931 /nfs/dbraw/zinc/95/79/31/603957931.db2.gz KLJWWZFQFOEHJG-UHFFFAOYSA-N -1 0 320.313 -0.491 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)COC1CN(C(=O)[O-])C1 ZINC000825000826 603960233 /nfs/dbraw/zinc/96/02/33/603960233.db2.gz BVJUTOGTUAEBQG-NXEZZACHSA-N -1 0 302.327 -0.325 20 0 DBADRM CSCC(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000829717075 603961805 /nfs/dbraw/zinc/96/18/05/603961805.db2.gz UIITVOCWAMTGGR-UHFFFAOYSA-N -1 0 300.344 -0.094 20 0 DBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)[C@@H]3CCCOC3)n2)CC1 ZINC000831810715 603962225 /nfs/dbraw/zinc/96/22/25/603962225.db2.gz QXWSDHNIIHTCGI-SECBINFHSA-N -1 0 324.341 -0.030 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)C1 ZINC000832239749 603962321 /nfs/dbraw/zinc/96/23/21/603962321.db2.gz PLRVBSFQMINWJA-NQMVMOMDSA-N -1 0 309.322 -0.171 20 0 DBADRM C[C@H](CC(=O)OCCN1C(=O)NC(C)(C)C1=O)NC(=O)[O-] ZINC000824735345 603964912 /nfs/dbraw/zinc/96/49/12/603964912.db2.gz DSMPFGUHOPKERC-SSDOTTSWSA-N -1 0 301.299 -0.094 20 0 DBADRM C[C@@H](CC(=O)OCCN1C(=O)NC(C)(C)C1=O)NC(=O)[O-] ZINC000824735346 603964941 /nfs/dbraw/zinc/96/49/41/603964941.db2.gz DSMPFGUHOPKERC-ZETCQYMHSA-N -1 0 301.299 -0.094 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)[C@]2(C)CCN(C(=O)[O-])C2)n1 ZINC000827965711 603966492 /nfs/dbraw/zinc/96/64/92/603966492.db2.gz FTZRNVGTTIQJOX-CYBMUJFWSA-N -1 0 324.341 -0.305 20 0 DBADRM O=C([O-])N1CCC(n2cc(C(=O)N3CC[C@@H](O)C3)nn2)CC1 ZINC000831969420 603968009 /nfs/dbraw/zinc/96/80/09/603968009.db2.gz MNANMUDEMNOCJK-SNVBAGLBSA-N -1 0 309.326 -0.200 20 0 DBADRM NC(=O)c1ccc(CNC(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000831222970 603970305 /nfs/dbraw/zinc/97/03/05/603970305.db2.gz TWWDLIYRDUKBRX-UHFFFAOYSA-N -1 0 307.306 -0.220 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)C[C@H](C)NC(=O)[O-])CC2 ZINC000829051066 603971578 /nfs/dbraw/zinc/97/15/78/603971578.db2.gz YBZFSWXMOMBGPC-DTWKUNHWSA-N -1 0 311.342 -0.098 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)CC2 ZINC000829049195 603971581 /nfs/dbraw/zinc/97/15/81/603971581.db2.gz ABHMRWILVMHNAD-ZJUUUORDSA-N -1 0 323.353 -0.145 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)CC2 ZINC000829049192 603971585 /nfs/dbraw/zinc/97/15/85/603971585.db2.gz ABHMRWILVMHNAD-NXEZZACHSA-N -1 0 323.353 -0.145 20 0 DBADRM O=C(CNC(=O)COC1CN(C(=O)[O-])C1)NCc1ccccc1 ZINC000831492547 603977544 /nfs/dbraw/zinc/97/75/44/603977544.db2.gz FMQWEYGUUTXLPE-UHFFFAOYSA-N -1 0 321.333 -0.202 20 0 DBADRM Cn1cnnc1[C@H]1CCCN(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000831045958 603977811 /nfs/dbraw/zinc/97/78/11/603977811.db2.gz GFQYCGZUWUPNCW-JTQLQIEISA-N -1 0 323.353 -0.100 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCCc1nnc2n1CCC2 ZINC000831533220 603982262 /nfs/dbraw/zinc/98/22/62/603982262.db2.gz GELMQKBYVHWJMB-UHFFFAOYSA-N -1 0 309.326 -0.738 20 0 DBADRM C[C@H](CC(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)NC(=O)[O-] ZINC000824727254 603982550 /nfs/dbraw/zinc/98/25/50/603982550.db2.gz FRHMSTZQJHHEPL-HTQZYQBOSA-N -1 0 303.315 -0.831 20 0 DBADRM CCN(C(=O)[C@@]1(F)CCN(C(=O)[O-])C1)[C@H]1CC(=O)NC1=O ZINC000826969661 603990804 /nfs/dbraw/zinc/99/08/04/603990804.db2.gz IBBKXZNOUVHULX-JVXZTZIISA-N -1 0 301.274 -0.658 20 0 DBADRM NC(=O)NC[C@@H]1CCCCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000831208808 603995825 /nfs/dbraw/zinc/99/58/25/603995825.db2.gz VVYLWKKUUFLVSC-VIFPVBQESA-N -1 0 314.342 -0.585 20 0 DBADRM O=C([O-])N(CC(=O)NCC1(O)CCOCC1)C[C@@H]1CCCO1 ZINC000831474164 603996804 /nfs/dbraw/zinc/99/68/04/603996804.db2.gz KVIUJTDKRKHKFL-NSHDSACASA-N -1 0 316.354 -0.197 20 0 DBADRM COC(=O)[C@H]1CCCN(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000828634194 603997631 /nfs/dbraw/zinc/99/76/31/603997631.db2.gz ZWKFLUTZYNGRDW-VIFPVBQESA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)COC1CN(C(=O)[O-])C1 ZINC000826094437 603999081 /nfs/dbraw/zinc/99/90/81/603999081.db2.gz YJEJCWRTIJYMIL-SNVBAGLBSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)COC1CN(C(=O)[O-])C1 ZINC000826094436 603999176 /nfs/dbraw/zinc/99/91/76/603999176.db2.gz YJEJCWRTIJYMIL-JTQLQIEISA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000825507518 604000280 /nfs/dbraw/zinc/00/02/80/604000280.db2.gz CYAZYSGOQFZVFU-DTWKUNHWSA-N -1 0 307.372 -0.475 20 0 DBADRM C[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)[C@H](C)N1CCOCC1 ZINC000825125767 604000640 /nfs/dbraw/zinc/00/06/40/604000640.db2.gz BPIWCPJEFODERX-MNOVXSKESA-N -1 0 315.370 -0.409 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCCCN1CCCCC1=O ZINC000831533090 604002575 /nfs/dbraw/zinc/00/25/75/604002575.db2.gz BWPCYTMTCODFTO-UHFFFAOYSA-N -1 0 313.354 -0.116 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000825507520 604002904 /nfs/dbraw/zinc/00/29/04/604002904.db2.gz CYAZYSGOQFZVFU-IUCAKERBSA-N -1 0 307.372 -0.475 20 0 DBADRM NS(=O)(=O)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000831246384 604003935 /nfs/dbraw/zinc/00/39/35/604003935.db2.gz QTAVIZBPZNTEGX-CBLAIPOGSA-N -1 0 320.371 -0.753 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)NCc1ccc(C(N)=O)nc1 ZINC000828299008 604003945 /nfs/dbraw/zinc/00/39/45/604003945.db2.gz ZLUYIKANLZKVNS-UHFFFAOYSA-N -1 0 309.326 -0.020 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)COC1CN(C(=O)[O-])C1 ZINC000825016809 604006592 /nfs/dbraw/zinc/00/65/92/604006592.db2.gz TYBNFFOXLMIMFJ-QMMMGPOBSA-N -1 0 308.356 -0.743 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000831530163 604008408 /nfs/dbraw/zinc/00/84/08/604008408.db2.gz WAOJDMSJTWKYAQ-MRVPVSSYSA-N -1 0 306.340 -0.941 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[O-])CC2 ZINC000829050771 604008878 /nfs/dbraw/zinc/00/88/78/604008878.db2.gz VVQJSKJRTWZYKS-UWVGGRQHSA-N -1 0 323.353 -0.002 20 0 DBADRM NS(=O)(=O)CCCOC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000831246606 604012117 /nfs/dbraw/zinc/01/21/17/604012117.db2.gz RFXHUMPMZPQYPI-UHFFFAOYSA-N -1 0 306.296 -0.117 20 0 DBADRM COC(=O)[C@](C)(NC(=O)COC1CN(C(=O)[O-])C1)C1CC1 ZINC000828600470 604012450 /nfs/dbraw/zinc/01/24/50/604012450.db2.gz JJHXEFDPUVNMOA-CYBMUJFWSA-N -1 0 300.311 -0.177 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)COC2CN(C(=O)[O-])C2)CCS1(=O)=O ZINC000825779189 604012498 /nfs/dbraw/zinc/01/24/98/604012498.db2.gz WPFCYBIDUFPVFA-DTWKUNHWSA-N -1 0 320.367 -0.601 20 0 DBADRM C[C@@H]1CN(C(=O)COC2CN(C(=O)[O-])C2)CCS1(=O)=O ZINC000825988934 604013923 /nfs/dbraw/zinc/01/39/23/604013923.db2.gz QGUQWUZFBOXWHI-MRVPVSSYSA-N -1 0 306.340 -0.989 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)COC2CN(C(=O)[O-])C2)CCO1 ZINC000827295299 604016227 /nfs/dbraw/zinc/01/62/27/604016227.db2.gz ABYFQAKDSWVSGJ-JTQLQIEISA-N -1 0 316.310 -0.844 20 0 DBADRM C[C@H]1CN(Cn2nnc3c(cnn3C)c2=O)CC[C@@H]1NC(=O)[O-] ZINC000826068593 604016770 /nfs/dbraw/zinc/01/67/70/604016770.db2.gz PZRCKXFNCXKAMB-WPRPVWTQSA-N -1 0 321.341 -0.540 20 0 DBADRM COCCOC[C@H]1CCN(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000829002017 604020214 /nfs/dbraw/zinc/02/02/14/604020214.db2.gz KECVDFSGLMFENA-NSHDSACASA-N -1 0 316.354 -0.123 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)COC2CN(C(=O)[O-])C2)CC1=O ZINC000825860896 604021589 /nfs/dbraw/zinc/02/15/89/604021589.db2.gz LZYVAXXWDDEAFJ-KKZNHRDASA-N -1 0 311.338 -0.509 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)COC2CN(C(=O)[O-])C2)CC1=O ZINC000825860897 604022033 /nfs/dbraw/zinc/02/20/33/604022033.db2.gz LZYVAXXWDDEAFJ-WCABBAIRSA-N -1 0 311.338 -0.509 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000825267512 604024267 /nfs/dbraw/zinc/02/42/67/604024267.db2.gz YYHFVVXXPSLBCE-BDAKNGLRSA-N -1 0 312.326 -0.267 20 0 DBADRM CNC(=O)CC1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000828532301 604025524 /nfs/dbraw/zinc/02/55/24/604025524.db2.gz POVYTIKWBIKCEC-UHFFFAOYSA-N -1 0 313.354 -0.260 20 0 DBADRM COC(=O)C[C@H](C)C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000828649349 604030098 /nfs/dbraw/zinc/03/00/98/604030098.db2.gz YCWKJPFTHLKEHO-NSHDSACASA-N -1 0 315.370 -0.013 20 0 DBADRM O=C([O-])NCc1nnnn1CC(=O)NCc1ccc(F)cc1 ZINC000832739130 604031365 /nfs/dbraw/zinc/03/13/65/604031365.db2.gz UBSYZPKPTPRDSY-UHFFFAOYSA-N -1 0 308.273 -0.104 20 0 DBADRM O=C([O-])NCc1nnnn1CCS(=O)(=O)c1ccccc1 ZINC000832743874 604033490 /nfs/dbraw/zinc/03/34/90/604033490.db2.gz BXXIVQHYQDWZJD-UHFFFAOYSA-N -1 0 311.323 -0.085 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000828647403 604034085 /nfs/dbraw/zinc/03/40/85/604034085.db2.gz PPWHRFXXOJICGU-SNVBAGLBSA-N -1 0 301.343 -0.403 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827481904 604053750 /nfs/dbraw/zinc/05/37/50/604053750.db2.gz YXCPNVMZAOYLCR-RKDXNWHRSA-N -1 0 308.356 -0.095 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827481896 604054150 /nfs/dbraw/zinc/05/41/50/604054150.db2.gz YXCPNVMZAOYLCR-BDAKNGLRSA-N -1 0 308.356 -0.095 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H]2COCCN2C(=O)[O-])C1=O ZINC000824350570 604058429 /nfs/dbraw/zinc/05/84/29/604058429.db2.gz FVNMIRHZGCSZMK-BDAKNGLRSA-N -1 0 313.310 -0.983 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000824840915 604064293 /nfs/dbraw/zinc/06/42/93/604064293.db2.gz NQCQBKNHNVBSQG-LLVKDONJSA-N -1 0 314.386 -0.535 20 0 DBADRM COCCN(CC(=O)NCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000828976775 604065491 /nfs/dbraw/zinc/06/54/91/604065491.db2.gz SEUFQKSIZRLZQM-UHFFFAOYSA-N -1 0 310.372 -0.448 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)OC[C@@H]1CCCN1C(=O)[O-] ZINC000825514177 604065557 /nfs/dbraw/zinc/06/55/57/604065557.db2.gz DYZGFEZJICPITP-LSJOCFKGSA-N -1 0 314.338 -0.052 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)OC[C@H]1CCN(C(=O)[O-])C1 ZINC000825514564 604065708 /nfs/dbraw/zinc/06/57/08/604065708.db2.gz HOUPUTDJVSGNBA-QXEWZRGKSA-N -1 0 314.338 -0.195 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NC1CCN(CC(N)=O)CC1 ZINC000824849444 604075963 /nfs/dbraw/zinc/07/59/63/604075963.db2.gz SHPWNBBBXMXLDN-VIFPVBQESA-N -1 0 300.359 -0.702 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000823555222 604078395 /nfs/dbraw/zinc/07/83/95/604078395.db2.gz BINXFTXLKLZBOF-LBPRGKRZSA-N -1 0 312.370 -0.591 20 0 DBADRM C[C@@H](NC(N)=O)C(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825471909 604079202 /nfs/dbraw/zinc/07/92/02/604079202.db2.gz DBQCGBKCRYPPMM-SECBINFHSA-N -1 0 316.358 -0.292 20 0 DBADRM C[C@H](CC(=O)N1CCN(c2nc(N)ns2)CC1)NC(=O)[O-] ZINC000824598384 604079332 /nfs/dbraw/zinc/07/93/32/604079332.db2.gz CNSOZJXYOGJWIO-SSDOTTSWSA-N -1 0 314.371 -0.185 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)C1(NC(=O)[O-])CCCCC1 ZINC000831200074 604079368 /nfs/dbraw/zinc/07/93/68/604079368.db2.gz RNPVUXHWEJKIDR-UHFFFAOYSA-N -1 0 300.315 -0.342 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CCC[C@H]1CNC(=O)[O-] ZINC000828904497 604082024 /nfs/dbraw/zinc/08/20/24/604082024.db2.gz UWNPIVHKCQSVPW-ZJUUUORDSA-N -1 0 316.358 -0.421 20 0 DBADRM CNC(=O)CN1CCN(C(=O)C2(NC(=O)[O-])CCCC2)CC1 ZINC000828541859 604088980 /nfs/dbraw/zinc/08/89/80/604088980.db2.gz HAXIEAWVRZEOHH-UHFFFAOYSA-N -1 0 312.370 -0.543 20 0 DBADRM CCCNC(=O)NC(=O)COC(=O)CC1CN(C(=O)[O-])C1 ZINC000826925271 604089225 /nfs/dbraw/zinc/08/92/25/604089225.db2.gz CXEIVYVTULWPPR-UHFFFAOYSA-N -1 0 301.299 -0.235 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NCC1(C(N)=O)CCOCC1 ZINC000824855110 604090770 /nfs/dbraw/zinc/09/07/70/604090770.db2.gz NRMZVLNJMLFVKU-VIFPVBQESA-N -1 0 301.343 -0.369 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCCCN(C)S(C)(=O)=O ZINC000824853700 604092578 /nfs/dbraw/zinc/09/25/78/604092578.db2.gz BSYXVPSQTZOMTK-SECBINFHSA-N -1 0 309.388 -0.370 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)CC1CN(C(=O)[O-])C1 ZINC000828684460 604097615 /nfs/dbraw/zinc/09/76/15/604097615.db2.gz VLYLKBSACCNWBY-ZETCQYMHSA-N -1 0 302.283 -0.793 20 0 DBADRM COC[C@@H](C)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828895966 604099880 /nfs/dbraw/zinc/09/98/80/604099880.db2.gz FAWCZKFFBDVBQD-SNVBAGLBSA-N -1 0 321.399 -0.669 20 0 DBADRM C[C@]1(C(=O)OCC(=O)N2CCOCC2)CCN(C(=O)[O-])C1 ZINC000825684115 604102933 /nfs/dbraw/zinc/10/29/33/604102933.db2.gz BODJGIFMDLTTMB-ZDUSSCGKSA-N -1 0 300.311 -0.222 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000825015187 604109268 /nfs/dbraw/zinc/10/92/68/604109268.db2.gz DBMUBEBTASBVHV-JTQLQIEISA-N -1 0 321.399 -0.921 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000832582159 604111445 /nfs/dbraw/zinc/11/14/45/604111445.db2.gz BXUPBUWJRDGNNQ-VHSXEESVSA-N -1 0 321.337 -0.121 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCN1C(=O)[O-] ZINC000825970311 604113768 /nfs/dbraw/zinc/11/37/68/604113768.db2.gz UUMSSQQDZCQKGM-UWVGGRQHSA-N -1 0 321.337 -0.027 20 0 DBADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)N(C)CC(N)=O)cc1 ZINC000825402018 604119676 /nfs/dbraw/zinc/11/96/76/604119676.db2.gz HEXCQAMFBLUSGD-MRVPVSSYSA-N -1 0 322.321 -0.103 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000824855798 604121532 /nfs/dbraw/zinc/12/15/32/604121532.db2.gz VMMIMYUTMBCVRO-JTQLQIEISA-N -1 0 321.399 -0.921 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000824854228 604129149 /nfs/dbraw/zinc/12/91/49/604129149.db2.gz IGABTJVUKHEXLT-VIFPVBQESA-N -1 0 307.372 -0.616 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000824830150 604135552 /nfs/dbraw/zinc/13/55/52/604135552.db2.gz CDGKQNBUHGADAD-SDBXPKJASA-N -1 0 312.326 -0.615 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NCCCN1CCCS1(=O)=O ZINC000824853587 604140334 /nfs/dbraw/zinc/14/03/34/604140334.db2.gz BLIKXHLOULULHA-JTQLQIEISA-N -1 0 321.399 -0.226 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NCCc2nnc3n2CCC3)C1 ZINC000831708786 604141036 /nfs/dbraw/zinc/14/10/36/604141036.db2.gz LDVRXURXEGNVFZ-SECBINFHSA-N -1 0 308.342 -0.182 20 0 DBADRM CC(C)(CNC(=O)N1CCN(C(=O)[O-])CC1)S(C)(=O)=O ZINC000823923285 604143186 /nfs/dbraw/zinc/14/31/86/604143186.db2.gz HMBDJZGTPHCYLV-UHFFFAOYSA-N -1 0 307.372 -0.185 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CCCN(C(=O)[O-])CC2)c1=O ZINC000831022303 604144375 /nfs/dbraw/zinc/14/43/75/604144375.db2.gz DVDHLLPVHYYGSG-UHFFFAOYSA-N -1 0 322.321 -0.464 20 0 DBADRM O=C([O-])NCCNC(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000832642157 604145221 /nfs/dbraw/zinc/14/52/21/604145221.db2.gz TYHUIVGTAJKXHH-UHFFFAOYSA-N -1 0 305.241 -0.530 20 0 DBADRM CCN(CCCNC(=O)C(=O)Nc1cccn(C)c1=O)C(=O)[O-] ZINC000827117291 604147460 /nfs/dbraw/zinc/14/74/60/604147460.db2.gz XANZSOMZQAAWEX-UHFFFAOYSA-N -1 0 324.337 -0.170 20 0 DBADRM NC(=O)CN1CCCN(C(=O)CC2(NC(=O)[O-])CCC2)CC1 ZINC000831190478 604150926 /nfs/dbraw/zinc/15/09/26/604150926.db2.gz YHKUSGYDGKZMBB-UHFFFAOYSA-N -1 0 312.370 -0.414 20 0 DBADRM COC[C@](C)(O)C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000828897963 604151681 /nfs/dbraw/zinc/15/16/81/604151681.db2.gz WIPCQOXHUVKURI-ZDUSSCGKSA-N -1 0 303.359 -0.814 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCN(CCO)CC1 ZINC000829742741 604160104 /nfs/dbraw/zinc/16/01/04/604160104.db2.gz QUUWRRLBILLEEI-JTQLQIEISA-N -1 0 305.400 -0.488 20 0 DBADRM CN(C)S(=O)(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000828051629 604164461 /nfs/dbraw/zinc/16/44/61/604164461.db2.gz PVJYMOBUTNRURR-UHFFFAOYSA-N -1 0 309.388 -0.069 20 0 DBADRM O=C([O-])N1CCCC[C@H](NC(=O)N2CCO[C@H](CO)C2)C1 ZINC000832010714 604173604 /nfs/dbraw/zinc/17/36/04/604173604.db2.gz VOQVOPYDPIXSOB-QWRGUYRKSA-N -1 0 301.343 -0.078 20 0 DBADRM Cc1cc(CC(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)[nH]n1 ZINC000830028825 604175005 /nfs/dbraw/zinc/17/50/05/604175005.db2.gz CTPRWQRGCHBQCQ-UHFFFAOYSA-N -1 0 323.353 -0.459 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000824834422 604181412 /nfs/dbraw/zinc/18/14/12/604181412.db2.gz XEKCMAIXXXFZCN-IUCAKERBSA-N -1 0 307.372 -0.488 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])CCO1 ZINC000831178986 604181610 /nfs/dbraw/zinc/18/16/10/604181610.db2.gz PCMSDENXUJZRIY-BBBLOLIVSA-N -1 0 314.342 -0.682 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000824881074 604191860 /nfs/dbraw/zinc/19/18/60/604191860.db2.gz SUPMXQLVQZVHEZ-MRVPVSSYSA-N -1 0 312.330 -0.449 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])cn1 ZINC000830813768 604194836 /nfs/dbraw/zinc/19/48/36/604194836.db2.gz UYFZJEMQVOAYAN-SNVBAGLBSA-N -1 0 307.310 -0.018 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)OC[C@H](C)NC(=O)[O-] ZINC000823575486 604198997 /nfs/dbraw/zinc/19/89/97/604198997.db2.gz RPCDCNRCMVXNJB-WCBMZHEXSA-N -1 0 315.326 -0.687 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)c1nccn2nnnc12 ZINC000828316480 604201001 /nfs/dbraw/zinc/20/10/01/604201001.db2.gz QYRKBVJTEZLNAC-UHFFFAOYSA-N -1 0 306.330 -0.749 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000824842593 604201628 /nfs/dbraw/zinc/20/16/28/604201628.db2.gz ZSEYKRGMNIBJGL-SECBINFHSA-N -1 0 308.338 -0.089 20 0 DBADRM COCCN(CC(=O)N[C@H]1CCCC[C@@H]1C(N)=O)C(=O)[O-] ZINC000828976204 604207257 /nfs/dbraw/zinc/20/72/57/604207257.db2.gz KEZDXRNPPKEEIO-UWVGGRQHSA-N -1 0 301.343 -0.227 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000829792789 604213723 /nfs/dbraw/zinc/21/37/23/604213723.db2.gz RRHOOGMWACXDLN-OTPXZMOZSA-N -1 0 312.326 -0.521 20 0 DBADRM CN(CC(=O)N1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1)C(=O)[O-] ZINC000828091226 604213741 /nfs/dbraw/zinc/21/37/41/604213741.db2.gz WIUDJXQKAFEQOD-SDBXPKJASA-N -1 0 312.326 -0.567 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])CC1 ZINC000828542304 604217288 /nfs/dbraw/zinc/21/72/88/604217288.db2.gz JBWGBWZMVMMQLF-JTQLQIEISA-N -1 0 300.359 -0.878 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000825253842 604217318 /nfs/dbraw/zinc/21/73/18/604217318.db2.gz KTZKKTLXANTEEK-DTWKUNHWSA-N -1 0 324.337 -0.006 20 0 DBADRM COCCN1C[C@@H](C(=O)OC2(C)CN(C(=O)[O-])C2)CC1=O ZINC000828985613 604221460 /nfs/dbraw/zinc/22/14/60/604221460.db2.gz QAGVIYKCNCGSJD-VIFPVBQESA-N -1 0 300.311 -0.223 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)OC1(C)CN(C(=O)[O-])C1 ZINC000823779240 604222016 /nfs/dbraw/zinc/22/20/16/604222016.db2.gz XQBRJEHZEWDSKF-UHFFFAOYSA-N -1 0 308.356 0.000 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000824839457 604222960 /nfs/dbraw/zinc/22/29/60/604222960.db2.gz BVTLDBKLEDGIBG-WSVYEEACSA-N -1 0 319.427 -0.245 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000825211528 604225383 /nfs/dbraw/zinc/22/53/83/604225383.db2.gz QTDFPVCQUZUBGP-DTWKUNHWSA-N -1 0 312.326 -0.567 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])OCC(=O)N1CCC1 ZINC000831481086 604228339 /nfs/dbraw/zinc/22/83/39/604228339.db2.gz VRXLMDUDNOYKEM-JTQLQIEISA-N -1 0 300.311 -0.079 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCCN(C(=O)[O-])CC1 ZINC000828671139 604228553 /nfs/dbraw/zinc/22/85/53/604228553.db2.gz QVUNIIQYKYITPO-UHFFFAOYSA-N -1 0 323.371 -0.588 20 0 DBADRM CC(C)c1nnnn1CC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000824510915 604230059 /nfs/dbraw/zinc/23/00/59/604230059.db2.gz LMFJGIXYHJENDO-SECBINFHSA-N -1 0 311.298 -0.339 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC(C)(C)CNC(=O)[O-] ZINC000828671098 604230346 /nfs/dbraw/zinc/23/03/46/604230346.db2.gz QFSNWDFRFKTOHY-UHFFFAOYSA-N -1 0 311.360 -0.638 20 0 DBADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000829603153 604231012 /nfs/dbraw/zinc/23/10/12/604231012.db2.gz FPUAIDPZVYLLIF-CWSCBRNRSA-N -1 0 324.333 -0.042 20 0 DBADRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000832140695 604231593 /nfs/dbraw/zinc/23/15/93/604231593.db2.gz NJBVXEIBXJQJMW-FRRDWIJNSA-N -1 0 308.334 -0.181 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828671298 604236750 /nfs/dbraw/zinc/23/67/50/604236750.db2.gz SCMSRWJSNGXNJO-VIFPVBQESA-N -1 0 308.356 -0.047 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C ZINC000824890529 604240858 /nfs/dbraw/zinc/24/08/58/604240858.db2.gz WBPORTMMGZHCMH-RKDXNWHRSA-N -1 0 317.342 -0.632 20 0 DBADRM COCCN(CC(=O)N1C[C@H](C)[C@H](C(=O)OC)C1)C(=O)[O-] ZINC000828970918 604244450 /nfs/dbraw/zinc/24/44/50/604244450.db2.gz JGLIJYHOAUQQHO-VHSXEESVSA-N -1 0 302.327 -0.120 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])O[C@H]1CCS(=O)(=O)C1 ZINC000831480168 604248084 /nfs/dbraw/zinc/24/80/84/604248084.db2.gz PLFUBXMXGZXTNN-UWVGGRQHSA-N -1 0 321.351 -0.124 20 0 DBADRM CS(=O)(=O)NCCOC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000829688919 604252734 /nfs/dbraw/zinc/25/27/34/604252734.db2.gz XGYWJRRVXCNDKA-BDAKNGLRSA-N -1 0 308.356 -0.095 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000825217273 604259659 /nfs/dbraw/zinc/25/96/59/604259659.db2.gz DKCNVWLRNNZZIW-VHSXEESVSA-N -1 0 324.337 -0.156 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000825254720 604260992 /nfs/dbraw/zinc/26/09/92/604260992.db2.gz OHESIZIAADCKQW-BDAKNGLRSA-N -1 0 324.341 -0.728 20 0 DBADRM NC(=O)C[C@@H]1CCCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831185061 604268943 /nfs/dbraw/zinc/26/89/43/604268943.db2.gz PHIWAOVDTKTDMP-QWRGUYRKSA-N -1 0 313.354 -0.131 20 0 DBADRM C[C@@H](CCNC(=O)NC[C@@H]1CCCS1(=O)=O)NC(=O)[O-] ZINC000824793516 604269225 /nfs/dbraw/zinc/26/92/25/604269225.db2.gz LPISKVYEEYVNEQ-IUCAKERBSA-N -1 0 307.372 -0.091 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NC[C@]1(CCO)CCOC1 ZINC000831628700 604270127 /nfs/dbraw/zinc/27/01/27/604270127.db2.gz ULEAABJUHUYPLU-SKDRFNHKSA-N -1 0 304.368 -0.055 20 0 DBADRM COCCCOC1CN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828950333 604271748 /nfs/dbraw/zinc/27/17/48/604271748.db2.gz GHKCMTLZPBQSOM-NSHDSACASA-N -1 0 302.327 -0.371 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000824351366 604272205 /nfs/dbraw/zinc/27/22/05/604272205.db2.gz MWMZAHSTAHYTKR-BDAKNGLRSA-N -1 0 313.310 -0.983 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000831373785 604273284 /nfs/dbraw/zinc/27/32/84/604273284.db2.gz CIRWMWLICLDOJR-MWLCHTKSSA-N -1 0 311.338 -0.365 20 0 DBADRM CC(C)(CCO)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000823895406 604274068 /nfs/dbraw/zinc/27/40/68/604274068.db2.gz ZQIORSANDCBDJW-UHFFFAOYSA-N -1 0 301.343 -0.667 20 0 DBADRM C[C@]1([C@@H]2CCCN(c3ccc(C(=O)[O-])nn3)C2)NC(=O)NC1=O ZINC000828087644 604275206 /nfs/dbraw/zinc/27/52/06/604275206.db2.gz CZORVOAPDYBXFT-XLKFXECMSA-N -1 0 319.321 -0.011 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)NC[C@@H](O)C(F)(F)F)C1 ZINC000831380011 604275566 /nfs/dbraw/zinc/27/55/66/604275566.db2.gz BHQANMUSNGZMSU-NKWVEPMBSA-N -1 0 300.233 -0.205 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCCC[C@@H]2CNC(=O)[O-])nn1 ZINC000825527651 604277664 /nfs/dbraw/zinc/27/76/64/604277664.db2.gz FUASOHRMQHQGSL-NXEZZACHSA-N -1 0 311.342 -0.020 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)nn1 ZINC000825528732 604278723 /nfs/dbraw/zinc/27/87/23/604278723.db2.gz SAICNAATIQQGHY-KXUCPTDWSA-N -1 0 311.342 -0.069 20 0 DBADRM Cn1cc([C@H]2CN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CCO2)cn1 ZINC000830999738 604280294 /nfs/dbraw/zinc/28/02/94/604280294.db2.gz MUGQNVVIQZPRQD-VXGBXAGGSA-N -1 0 324.337 -0.301 20 0 DBADRM CC1(C)CN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCS1(=O)=O ZINC000825719336 604287545 /nfs/dbraw/zinc/28/75/45/604287545.db2.gz OFMDHIPBJCBEMF-VIFPVBQESA-N -1 0 320.367 -0.599 20 0 DBADRM CC(C)[C@H](CCO)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824105643 604291378 /nfs/dbraw/zinc/29/13/78/604291378.db2.gz ZQQIZSDRDCKWOM-JTQLQIEISA-N -1 0 301.343 -0.668 20 0 DBADRM CC(C)[C@@H](CCO)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824105644 604291447 /nfs/dbraw/zinc/29/14/47/604291447.db2.gz ZQQIZSDRDCKWOM-SNVBAGLBSA-N -1 0 301.343 -0.668 20 0 DBADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])C1CC1)S(=O)(=O)C1CCOCC1 ZINC000825989111 604297228 /nfs/dbraw/zinc/29/72/28/604297228.db2.gz ASONKYAFUBNXTM-KWQFWETISA-N -1 0 319.379 -0.052 20 0 DBADRM O=C([O-])CSCCNC(=O)NC[C@@H]1CCCS1(=O)=O ZINC000389442252 604300381 /nfs/dbraw/zinc/30/03/81/604300381.db2.gz JPDNAFKNTJXHQX-QMMMGPOBSA-N -1 0 310.397 -0.319 20 0 DBADRM CC(=O)N1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)[C@@H](C)C1 ZINC000823555091 604304965 /nfs/dbraw/zinc/30/49/65/604304965.db2.gz AGFPTFMGPRJIOR-CMPLNLGQSA-N -1 0 313.354 -0.166 20 0 DBADRM COc1cc2c(nn1)CCN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)C2 ZINC000829224385 604308580 /nfs/dbraw/zinc/30/85/80/604308580.db2.gz IKTMORLFQVYMDF-NSHDSACASA-N -1 0 322.321 -0.251 20 0 DBADRM COc1cc2c(nn1)CCN(C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])C2 ZINC000829226406 604310187 /nfs/dbraw/zinc/31/01/87/604310187.db2.gz YMJNBJLHLFJIPQ-MWLCHTKSSA-N -1 0 322.321 -0.517 20 0 DBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)[C@H](C)NC(=O)[O-] ZINC000826690757 604310973 /nfs/dbraw/zinc/31/09/73/604310973.db2.gz MFAJXDQFZNCIGJ-AEJSXWLSSA-N -1 0 321.399 -0.181 20 0 DBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)[C@@H](C)NC(=O)[O-] ZINC000826690761 604311411 /nfs/dbraw/zinc/31/14/11/604311411.db2.gz MFAJXDQFZNCIGJ-KXUCPTDWSA-N -1 0 321.399 -0.181 20 0 DBADRM CN(C(=O)CCNC(=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000827758703 604324816 /nfs/dbraw/zinc/32/48/16/604324816.db2.gz BKJGXKUVRGIIQG-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM CCN(CC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000826996976 604325018 /nfs/dbraw/zinc/32/50/18/604325018.db2.gz QCMUGSJCAUHJNP-UHFFFAOYSA-N -1 0 321.399 -0.131 20 0 DBADRM CN(CC(=O)Nc1ccc(CC(=O)NCCO)cc1)C(=O)[O-] ZINC000828114073 604333673 /nfs/dbraw/zinc/33/36/73/604333673.db2.gz BFEBSRLXCVHJRS-UHFFFAOYSA-N -1 0 309.322 -0.114 20 0 DBADRM NC(=O)NC(=O)C1CCC(NC(=O)CCCNC(=O)[O-])CC1 ZINC000831200023 604344815 /nfs/dbraw/zinc/34/48/15/604344815.db2.gz QLNLGZPRBBLGNH-UHFFFAOYSA-N -1 0 314.342 -0.096 20 0 DBADRM C[C@@]1(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CCN(C(=O)[O-])C1 ZINC000825656855 604344829 /nfs/dbraw/zinc/34/48/29/604344829.db2.gz MKYHEIKIKNLEQZ-AMIZOPFISA-N -1 0 310.310 -0.861 20 0 DBADRM C[C@@]1(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CCN(C(=O)[O-])C1 ZINC000825656856 604344854 /nfs/dbraw/zinc/34/48/54/604344854.db2.gz MKYHEIKIKNLEQZ-ISVAXAHUSA-N -1 0 310.310 -0.861 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)CN2CCN(C(=O)[O-])CC2=O)o1 ZINC000830880669 604345380 /nfs/dbraw/zinc/34/53/80/604345380.db2.gz NMMAAGMWALYFST-ZETCQYMHSA-N -1 0 311.298 -0.623 20 0 DBADRM CNS(=O)(=O)CC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000831025252 604347287 /nfs/dbraw/zinc/34/72/87/604347287.db2.gz OTJJPXJBSSSJCU-UHFFFAOYSA-N -1 0 307.353 -0.352 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCS[C@@H]3COCC[C@@H]32)nn1 ZINC000833337339 604348574 /nfs/dbraw/zinc/34/85/74/604348574.db2.gz BKWOJRCLYOEHLF-VHSXEESVSA-N -1 0 312.351 -0.291 20 0 DBADRM COCc1nn(CN2CC[C@H](CN(C)C(=O)[O-])C2)c(=O)o1 ZINC000829056075 604348960 /nfs/dbraw/zinc/34/89/60/604348960.db2.gz SNAWHEVMBBIMQT-SECBINFHSA-N -1 0 300.315 -0.128 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC[C@H](NC(=O)[O-])C2)O1 ZINC000831173953 604355129 /nfs/dbraw/zinc/35/51/29/604355129.db2.gz PLGFQBPWZCZTIF-GUBZILKMSA-N -1 0 314.342 -0.539 20 0 DBADRM CC(C)[C@H](CNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)NC(=O)[O-] ZINC000824117683 604355435 /nfs/dbraw/zinc/35/54/35/604355435.db2.gz QWSYGHMOGVXUJZ-LPEHRKFASA-N -1 0 316.358 -0.389 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1cnc(Cl)n1C)C(=O)[O-] ZINC000831632630 604358003 /nfs/dbraw/zinc/35/80/03/604358003.db2.gz ZAVAXBZZZSQRIQ-SECBINFHSA-N -1 0 311.747 -0.159 20 0 DBADRM O=C([O-])NCCN1CCc2ncnc(N3CCOCC3)c2C1 ZINC000832642201 604362413 /nfs/dbraw/zinc/36/24/13/604362413.db2.gz VNTCENVUQVGDLN-UHFFFAOYSA-N -1 0 307.354 -0.061 20 0 DBADRM C[C@@H](C[C@@H]1CCOC1)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824779537 604374434 /nfs/dbraw/zinc/37/44/34/604374434.db2.gz ZICVIPMYZQPZBL-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000823661190 604375180 /nfs/dbraw/zinc/37/51/80/604375180.db2.gz HAAZNZQKNANQHE-HBNTYKKESA-N -1 0 312.370 -0.559 20 0 DBADRM CC(C)(CCC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)NC(=O)[O-] ZINC000823890649 604378730 /nfs/dbraw/zinc/37/87/30/604378730.db2.gz XJCNEEKSIKDXSA-IUCAKERBSA-N -1 0 301.343 -0.038 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)O1 ZINC000831172620 604379729 /nfs/dbraw/zinc/37/97/29/604379729.db2.gz IZXZVHBUXIAKSJ-UBJUHAIHSA-N -1 0 303.290 -0.773 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H]2CSCN2C(=O)[O-])O1 ZINC000831172992 604394283 /nfs/dbraw/zinc/39/42/83/604394283.db2.gz KQLGQIGKXBFUHZ-FXQIFTODSA-N -1 0 303.340 -0.812 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000829730219 604394542 /nfs/dbraw/zinc/39/45/42/604394542.db2.gz LJRFVFWAFIVWCN-HRDYMLBCSA-N -1 0 319.383 -0.475 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000828619228 604395447 /nfs/dbraw/zinc/39/54/47/604395447.db2.gz SZVNHLKENBGBGG-RNCFNFMXSA-N -1 0 300.311 -0.223 20 0 DBADRM Cn1cccc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])c1=O ZINC000828512962 604398341 /nfs/dbraw/zinc/39/83/41/604398341.db2.gz DAEIABVGKISDJB-SNVBAGLBSA-N -1 0 308.338 -0.591 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000825014957 604398974 /nfs/dbraw/zinc/39/89/74/604398974.db2.gz BVQTYHUSRWTZBV-VHSXEESVSA-N -1 0 321.399 -0.923 20 0 DBADRM CN1CCN(C(=O)c2cnn3cccnc23)[C@H](CNC(=O)[O-])C1 ZINC000828512994 604401618 /nfs/dbraw/zinc/40/16/18/604401618.db2.gz DRBRKJJQXSNDMH-SNVBAGLBSA-N -1 0 318.337 -0.247 20 0 DBADRM CN1CCN(C(=O)[C@@H](O)C2CCOCC2)[C@H](CNC(=O)[O-])C1 ZINC000828489626 604402378 /nfs/dbraw/zinc/40/23/78/604402378.db2.gz UOXRTYFRDRHBEJ-NEPJUHHUSA-N -1 0 315.370 -0.816 20 0 DBADRM CCCC(=O)NCC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000826705648 604403648 /nfs/dbraw/zinc/40/36/48/604403648.db2.gz FRRHTEAVVBPINE-SNVBAGLBSA-N -1 0 300.359 -0.687 20 0 DBADRM CCN1C[C@H](C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])CC1=O ZINC000827201374 604404009 /nfs/dbraw/zinc/40/40/09/604404009.db2.gz XKFKYSHHKJAVGK-MNOVXSKESA-N -1 0 312.370 -0.735 20 0 DBADRM C[C@H](C(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-])c1cnn(C)c1 ZINC000823668026 604405777 /nfs/dbraw/zinc/40/57/77/604405777.db2.gz BFGDSZHKJUBNPN-JQWIXIFHSA-N -1 0 309.370 -0.066 20 0 DBADRM CON(C)C(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000831836543 604407888 /nfs/dbraw/zinc/40/78/88/604407888.db2.gz JUTKLMCKFXUWBR-VGMNWLOBSA-N -1 0 304.368 -0.035 20 0 DBADRM CN(C)C(=O)CCCC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000828493822 604407868 /nfs/dbraw/zinc/40/78/68/604407868.db2.gz DDAQVVOFYSFAQF-NSHDSACASA-N -1 0 314.386 -0.345 20 0 DBADRM CON(C)C(=O)[C@H](CCSC)NC(=O)CCNC(=O)[O-] ZINC000831836821 604408040 /nfs/dbraw/zinc/40/80/40/604408040.db2.gz PFTDESPBQKSFFN-QMMMGPOBSA-N -1 0 307.372 -0.098 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1 ZINC000833082344 604409076 /nfs/dbraw/zinc/40/90/76/604409076.db2.gz MCCBSPUBSGZPCP-UHFFFAOYSA-N -1 0 302.283 -0.180 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000833082517 604409229 /nfs/dbraw/zinc/40/92/29/604409229.db2.gz NVRMISVJXKCEMU-UHFFFAOYSA-N -1 0 320.273 -0.041 20 0 DBADRM CN1CCN(C(=O)CCN2CCOC2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828495704 604411946 /nfs/dbraw/zinc/41/19/46/604411946.db2.gz RTQPVYSRJVOFOS-JTQLQIEISA-N -1 0 314.342 -0.761 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])c(=O)n(C)c1 ZINC000832892133 604413898 /nfs/dbraw/zinc/41/38/98/604413898.db2.gz BEUOUKCBOFVTLT-UHFFFAOYSA-N -1 0 309.322 -0.141 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000828508364 604415632 /nfs/dbraw/zinc/41/56/32/604415632.db2.gz CONKGHSRTIRKRB-SKDRFNHKSA-N -1 0 322.317 -0.069 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CC[C@@H](CNC(=O)[O-])C2)O1 ZINC000831174785 604417444 /nfs/dbraw/zinc/41/74/44/604417444.db2.gz ZLYIKWONDLESFW-GUBZILKMSA-N -1 0 314.342 -0.682 20 0 DBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000823687094 604423717 /nfs/dbraw/zinc/42/37/17/604423717.db2.gz VNTZWPIYOUJTAB-JTQLQIEISA-N -1 0 324.381 -0.402 20 0 DBADRM CN1CCO[C@@H]2CN(Cc3noc(CCCC(=O)[O-])n3)C[C@H]21 ZINC000830965428 604424338 /nfs/dbraw/zinc/42/43/38/604424338.db2.gz RBSXISXNDPENHY-GHMZBOCLSA-N -1 0 310.354 -0.008 20 0 DBADRM C[C@H](NC(=O)NCCSCC(=O)[O-])[C@@H]1CN(C)CCO1 ZINC000827665680 604426436 /nfs/dbraw/zinc/42/64/36/604426436.db2.gz UVIWJEHBLKOWNV-UWVGGRQHSA-N -1 0 305.400 -0.178 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CC1SC(=N)NC1=O ZINC000827002367 604434277 /nfs/dbraw/zinc/43/42/77/604434277.db2.gz XTALFCDUVLMBNN-HTQZYQBOSA-N -1 0 317.367 -0.121 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CCN1C(=O)CCC1=O ZINC000827001537 604439260 /nfs/dbraw/zinc/43/92/60/604439260.db2.gz QEAZFRMMRTVAHU-SNVBAGLBSA-N -1 0 314.338 -0.138 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000826996086 604444240 /nfs/dbraw/zinc/44/42/40/604444240.db2.gz RSBVGILZLPWBOU-BDAKNGLRSA-N -1 0 310.372 -0.739 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)C2(NC(=O)[O-])CC2)C1 ZINC000831245551 604468197 /nfs/dbraw/zinc/46/81/97/604468197.db2.gz JSDWGHNIGNXTGP-QMMMGPOBSA-N -1 0 305.356 -0.686 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)C2(NC(=O)[O-])CC2)C1 ZINC000831245549 604468430 /nfs/dbraw/zinc/46/84/30/604468430.db2.gz JSDWGHNIGNXTGP-MRVPVSSYSA-N -1 0 305.356 -0.686 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)CCN2CCCS2(=O)=O)C1 ZINC000740588785 604469570 /nfs/dbraw/zinc/46/95/70/604469570.db2.gz WFKQHWCESKHERG-SECBINFHSA-N -1 0 305.356 -0.720 20 0 DBADRM C[C@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)[C@H]1CN(C)CCO1 ZINC000827681743 604472941 /nfs/dbraw/zinc/47/29/41/604472941.db2.gz PLJRBTBUKREJBJ-VHSXEESVSA-N -1 0 311.342 -0.192 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000827285141 604484320 /nfs/dbraw/zinc/48/43/20/604484320.db2.gz UIQCILVNVSFGIL-UHFFFAOYSA-N -1 0 313.310 -0.980 20 0 DBADRM O=C(CN[C@]1(C(=O)[O-])CCOC1)NCc1ccc2c(c1)OCO2 ZINC000833765060 604489444 /nfs/dbraw/zinc/48/94/44/604489444.db2.gz VKYNBVRGUZXAOS-OAHLLOKOSA-N -1 0 322.317 -0.135 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)N(C)CC2CC2)CCO1 ZINC000825361841 604489620 /nfs/dbraw/zinc/48/96/20/604489620.db2.gz UUCKVAZUHCUEOM-GXSJLCMTSA-N -1 0 321.399 -0.070 20 0 DBADRM CCOCCS(=O)(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827405392 604490013 /nfs/dbraw/zinc/49/00/13/604490013.db2.gz OUTPNYZRDRJHMI-NXEZZACHSA-N -1 0 310.372 -0.290 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000740590571 604491115 /nfs/dbraw/zinc/49/11/15/604491115.db2.gz XICDQOWOFFPNOT-RKDXNWHRSA-N -1 0 322.408 -0.225 20 0 DBADRM COCCCS(=O)(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828956914 604491245 /nfs/dbraw/zinc/49/12/45/604491245.db2.gz BYGSDYNBMLDQDY-VHSXEESVSA-N -1 0 310.372 -0.290 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)Cc2ccon2)CCO1 ZINC000825358308 604491924 /nfs/dbraw/zinc/49/19/24/604491924.db2.gz FPYRMIURMLXLSG-PSASIEDQSA-N -1 0 319.339 -0.139 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)[C@H]2CCOC2)CCO1 ZINC000825358382 604491985 /nfs/dbraw/zinc/49/19/85/604491985.db2.gz GLCKDMFNNKMSDL-GUBZILKMSA-N -1 0 308.356 -0.538 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)c2c[nH]cn2)CCO1 ZINC000825358275 604493387 /nfs/dbraw/zinc/49/33/87/604493387.db2.gz FMCXJVUFJZJRHL-YUMQZZPRSA-N -1 0 304.328 -0.545 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000829833475 604494491 /nfs/dbraw/zinc/49/44/91/604494491.db2.gz KUKRNYMUTGCGKV-CBAPKCEASA-N -1 0 318.355 -0.236 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)N2CCN(C(=O)CO)CC2)cc1 ZINC000833775218 604504701 /nfs/dbraw/zinc/50/47/01/604504701.db2.gz CONYKKSYQYIONO-UHFFFAOYSA-N -1 0 321.333 -0.018 20 0 DBADRM CC[C@@]1(C)CC(=O)N(CN(CC(=O)[O-])CC(=O)OC)C1=O ZINC000833646829 604508303 /nfs/dbraw/zinc/50/83/03/604508303.db2.gz SXTSAZOEZVTEQO-ZDUSSCGKSA-N -1 0 300.311 -0.321 20 0 DBADRM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC000833390104 604509134 /nfs/dbraw/zinc/50/91/34/604509134.db2.gz IQTFTEWTBWTGCC-KOLCDFICSA-N -1 0 306.384 -0.163 20 0 DBADRM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC000833390107 604509442 /nfs/dbraw/zinc/50/94/42/604509442.db2.gz IQTFTEWTBWTGCC-ONGXEEELSA-N -1 0 306.384 -0.163 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000390323097 604509925 /nfs/dbraw/zinc/50/99/25/604509925.db2.gz ISMPZBPGCHNXKF-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000826980749 604509994 /nfs/dbraw/zinc/50/99/94/604509994.db2.gz WTARMRBZXUBPKQ-JTQLQIEISA-N -1 0 321.399 -0.037 20 0 DBADRM CC(C)(CNC(=O)N1CCC[C@H]1CC(=O)[O-])NS(C)(=O)=O ZINC000111774781 604511859 /nfs/dbraw/zinc/51/18/59/604511859.db2.gz GAFOSEILODOWHB-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM C[C@]1(C2CCN(C(=O)C3(NC(=O)[O-])CC3)CC2)NC(=O)NC1=O ZINC000825740229 604518055 /nfs/dbraw/zinc/51/80/55/604518055.db2.gz UBGRSJVIGCAFHJ-CYBMUJFWSA-N -1 0 324.337 -0.377 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C1(NC(=O)[O-])CC1 ZINC000828579806 604525987 /nfs/dbraw/zinc/52/59/87/604525987.db2.gz QNWOFWMXGBWHGG-QMMMGPOBSA-N -1 0 305.356 -0.673 20 0 DBADRM CCCNC(=O)CNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826925266 604530832 /nfs/dbraw/zinc/53/08/32/604530832.db2.gz CVRUYHABJDYZQA-NXEZZACHSA-N -1 0 316.358 -0.421 20 0 DBADRM CC(=O)NCCCNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000823578991 604531464 /nfs/dbraw/zinc/53/14/64/604531464.db2.gz CRFYPYBQEYRVOT-MWLCHTKSSA-N -1 0 316.358 -0.421 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCc2ccnn2C)CCO1 ZINC000825317741 604533674 /nfs/dbraw/zinc/53/36/74/604533674.db2.gz JQZXBNVWTLDEAW-KOLCDFICSA-N -1 0 311.342 -0.013 20 0 DBADRM Nc1nsc(N2CCN(C(=O)C3(NC(=O)[O-])CC3)CC2)n1 ZINC000831265329 604536509 /nfs/dbraw/zinc/53/65/09/604536509.db2.gz HESFFHOHBPSWRA-UHFFFAOYSA-N -1 0 312.355 -0.431 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)CCO1 ZINC000134129349 604538049 /nfs/dbraw/zinc/53/80/49/604538049.db2.gz IPMYLGQZXROCCL-ZJUUUORDSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NC[C@H]2CCCS2(=O)=O)CCO1 ZINC000134129191 604538174 /nfs/dbraw/zinc/53/81/74/604538174.db2.gz IPMYLGQZXROCCL-NXEZZACHSA-N -1 0 320.367 -0.551 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCc2cnn(C)c2)CCO1 ZINC000825319268 604539445 /nfs/dbraw/zinc/53/94/45/604539445.db2.gz UERLBVNFFLMGMN-MWLCHTKSSA-N -1 0 311.342 -0.013 20 0 DBADRM COCCN1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CC1=O ZINC000833724458 604546752 /nfs/dbraw/zinc/54/67/52/604546752.db2.gz NNOUKSSZVHTZIS-NSHDSACASA-N -1 0 301.343 -0.404 20 0 DBADRM CCN(CCNC(=O)N1C[C@@H]2OCCN(C)[C@H]2C1)C(=O)[O-] ZINC000827142180 604548456 /nfs/dbraw/zinc/54/84/56/604548456.db2.gz XXLMNIAQDWIDPM-QWRGUYRKSA-N -1 0 300.359 -0.289 20 0 DBADRM COC[C@@H](CCO)NC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000831651147 604550246 /nfs/dbraw/zinc/55/02/46/604550246.db2.gz RJTKENNSKMIMHU-MRVPVSSYSA-N -1 0 316.335 -0.102 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000829670244 604551991 /nfs/dbraw/zinc/55/19/91/604551991.db2.gz YECRTYVHGFNLCT-VIFPVBQESA-N -1 0 319.383 -0.043 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCc2nccn2C)CCO1 ZINC000825317236 604554797 /nfs/dbraw/zinc/55/47/97/604554797.db2.gz CVEJZWUQPYXMGH-ZJUUUORDSA-N -1 0 311.342 -0.013 20 0 DBADRM CCN(Cc1nc(CS(C)(=O)=O)no1)C1CN(C(=O)[O-])C1 ZINC000827192776 604558587 /nfs/dbraw/zinc/55/85/87/604558587.db2.gz CSGKHUNODGZLLW-UHFFFAOYSA-N -1 0 318.355 -0.202 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCn2cccn2)CCO1 ZINC000825317702 604561172 /nfs/dbraw/zinc/56/11/72/604561172.db2.gz JBRHULDEWMQDDU-QWRGUYRKSA-N -1 0 311.342 -0.050 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000818369094 604564624 /nfs/dbraw/zinc/56/46/24/604564624.db2.gz VOGHKQUJXXHPNL-UHFFFAOYSA-N -1 0 300.359 -0.733 20 0 DBADRM COCCN1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1=O ZINC000833725028 604566048 /nfs/dbraw/zinc/56/60/48/604566048.db2.gz XWEVTNAHKYJASS-UHFFFAOYSA-N -1 0 301.343 -0.403 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)CCN1CCCS1(=O)=O ZINC000833207441 604567572 /nfs/dbraw/zinc/56/75/72/604567572.db2.gz ACGHSEZISYPZQQ-JTQLQIEISA-N -1 0 304.368 -0.122 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000825875655 604574138 /nfs/dbraw/zinc/57/41/38/604574138.db2.gz IENIWACZBMPLMT-NSHDSACASA-N -1 0 313.354 -0.515 20 0 DBADRM C[C@H](CC(=O)NN1CC(=O)NC1=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824672195 604577984 /nfs/dbraw/zinc/57/79/84/604577984.db2.gz SSPDWKOARFKUFL-RKDXNWHRSA-N -1 0 312.326 -0.014 20 0 DBADRM COCCN1CCN(C(=O)[C@H](CC(C)C)NC(=O)[O-])CC1=O ZINC000833724809 604584762 /nfs/dbraw/zinc/58/47/62/604584762.db2.gz SYTTXXGVCLHYQT-NSHDSACASA-N -1 0 315.370 -0.014 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC000827242228 604585645 /nfs/dbraw/zinc/58/56/45/604585645.db2.gz MMLUZBXFXKCZID-BDAKNGLRSA-N -1 0 316.383 -0.041 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)COCCNC(=O)[O-])C1 ZINC000827248464 604587237 /nfs/dbraw/zinc/58/72/37/604587237.db2.gz BLZBOPWNWPVRBF-VIFPVBQESA-N -1 0 302.331 -0.809 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000738911636 604589969 /nfs/dbraw/zinc/58/99/69/604589969.db2.gz MXXJUURHPNTZDX-GHMZBOCLSA-N -1 0 300.359 -0.241 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CC(=O)N2CCOCC2)CCO1 ZINC000825344876 604592472 /nfs/dbraw/zinc/59/24/72/604592472.db2.gz PZKOMDMWWPHYTO-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM CCOCCNC(=O)CN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827404944 604597518 /nfs/dbraw/zinc/59/75/18/604597518.db2.gz JMGCGFYFIYGXPY-GHMZBOCLSA-N -1 0 303.359 -0.504 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CCCC(=O)NC(N)=O)CCO1 ZINC000825349300 604600322 /nfs/dbraw/zinc/60/03/22/604600322.db2.gz AUXNXMHYAXVUIS-BDAKNGLRSA-N -1 0 302.331 -0.682 20 0 DBADRM O=C([O-])N1CC(NC(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000831846695 604606133 /nfs/dbraw/zinc/60/61/33/604606133.db2.gz KKHIBYJSSXKYDN-GFCCVEGCSA-N -1 0 312.370 -0.145 20 0 DBADRM CNc1cc2c(nn1)CCN(C(=O)NC1CN(C(=O)[O-])C1)C2 ZINC000828593979 604607892 /nfs/dbraw/zinc/60/78/92/604607892.db2.gz OHIWRJNTKXKHDH-UHFFFAOYSA-N -1 0 306.326 -0.052 20 0 DBADRM CN(C)c1cc2c(nn1)CCN(C(=O)NC1CN(C(=O)[O-])C1)C2 ZINC000828056600 604608120 /nfs/dbraw/zinc/60/81/20/604608120.db2.gz SULJOIRWJAEXHT-UHFFFAOYSA-N -1 0 320.353 -0.028 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827250167 604612303 /nfs/dbraw/zinc/61/23/03/604612303.db2.gz QRXQJGGVLRSHLY-KXUCPTDWSA-N -1 0 316.358 -0.423 20 0 DBADRM CCNC(=O)NC(=O)CN1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827248567 604612674 /nfs/dbraw/zinc/61/26/74/604612674.db2.gz DVSXWGHMBAGZEF-BDAKNGLRSA-N -1 0 302.331 -0.811 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)NC1CN(C(=O)[O-])C1 ZINC000828267068 604613447 /nfs/dbraw/zinc/61/34/47/604613447.db2.gz NVKMPENBPGLZBH-QMMMGPOBSA-N -1 0 305.356 -0.575 20 0 DBADRM Cc1cnn(C[C@@H]2CN(C(=O)NC3CN(C(=O)[O-])C3)CCO2)c1 ZINC000830646719 604615935 /nfs/dbraw/zinc/61/59/35/604615935.db2.gz ZOXAWVRBNMMFIM-LBPRGKRZSA-N -1 0 323.353 -0.036 20 0 DBADRM O=C([O-])N1CC(NC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000831846495 604617908 /nfs/dbraw/zinc/61/79/08/604617908.db2.gz HEVLTNLSVPCTSV-UHFFFAOYSA-N -1 0 306.326 -0.330 20 0 DBADRM O=C([O-])N1CC(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000831848143 604618793 /nfs/dbraw/zinc/61/87/93/604618793.db2.gz ZTVDIPAFXAVEAC-LLVKDONJSA-N -1 0 309.326 -0.344 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CC(=O)NC(=O)NC2CC2)CCO1 ZINC000825345952 604619536 /nfs/dbraw/zinc/61/95/36/604619536.db2.gz WUNIFDCHEKMLLM-WCBMZHEXSA-N -1 0 314.342 -0.669 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC1CN(C(=O)[O-])C1 ZINC000828580034 604619677 /nfs/dbraw/zinc/61/96/77/604619677.db2.gz SUXMGHKILIDRNP-VIFPVBQESA-N -1 0 320.371 -0.928 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC000827653848 604625444 /nfs/dbraw/zinc/62/54/44/604625444.db2.gz SKNTYUBXHYGAGT-QJPTWQEYSA-N -1 0 315.370 -0.409 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CCC(=O)N2CCOCC2)CCO1 ZINC000825349627 604631393 /nfs/dbraw/zinc/63/13/93/604631393.db2.gz DIJVZOAUSZKXPH-NWDGAFQWSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CCC(=O)N2CCOCC2)CCO1 ZINC000825349630 604631569 /nfs/dbraw/zinc/63/15/69/604631569.db2.gz DIJVZOAUSZKXPH-VXGBXAGGSA-N -1 0 315.370 -0.408 20 0 DBADRM CCS(=O)(=O)NCCN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827475883 604632657 /nfs/dbraw/zinc/63/26/57/604632657.db2.gz QMBBSWUWPOQORX-VHSXEESVSA-N -1 0 309.388 -0.717 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C[C@H](O)CN2CCOCC2)CCO1 ZINC000825350172 604636047 /nfs/dbraw/zinc/63/60/47/604636047.db2.gz HGCXJSQNLFIHID-XQQFMLRXSA-N -1 0 317.386 -0.964 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CC(=O)NC[C@@H]2CCCO2)CCO1 ZINC000825343951 604636685 /nfs/dbraw/zinc/63/66/85/604636685.db2.gz LQRZPNXBXUEBCF-SRVKXCTJSA-N -1 0 315.370 -0.362 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCCN2CCOCC2)C1 ZINC000831675715 604639125 /nfs/dbraw/zinc/63/91/25/604639125.db2.gz HZUCGVSSKGBEAZ-LLVKDONJSA-N -1 0 301.343 -0.796 20 0 DBADRM O=C([O-])N1CC(OCC(=O)NC[C@@H](CO)Cc2ccco2)C1 ZINC000831528862 604650919 /nfs/dbraw/zinc/65/09/19/604650919.db2.gz CRTHWVUIQTXAMZ-JTQLQIEISA-N -1 0 312.322 -0.074 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)OCCNC(=O)[O-])o1 ZINC000829687670 604652441 /nfs/dbraw/zinc/65/24/41/604652441.db2.gz MOUGCIJGTUAJKF-UHFFFAOYSA-N -1 0 306.296 -0.247 20 0 DBADRM C[C@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C(=O)[O-] ZINC000833625850 604653655 /nfs/dbraw/zinc/65/36/55/604653655.db2.gz VERVQAUQSWMJST-POYBYMJQSA-N -1 0 302.308 -0.280 20 0 DBADRM CN(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000827754555 604659520 /nfs/dbraw/zinc/65/95/20/604659520.db2.gz YSBDJIPSJYFBQU-ZJUUUORDSA-N -1 0 320.367 -0.599 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000827954697 604665538 /nfs/dbraw/zinc/66/55/38/604665538.db2.gz XOGVRIMMJAMRJO-QWRGUYRKSA-N -1 0 313.354 -0.166 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827954696 604665580 /nfs/dbraw/zinc/66/55/80/604665580.db2.gz XOGVRIMMJAMRJO-MNOVXSKESA-N -1 0 313.354 -0.166 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)Nc2cccc(-n3cnnn3)c2)C1 ZINC000831778656 604666268 /nfs/dbraw/zinc/66/62/68/604666268.db2.gz UCELXFMRWJBKHP-NSHDSACASA-N -1 0 318.293 -0.020 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000042144678 604666517 /nfs/dbraw/zinc/66/65/17/604666517.db2.gz DQOZRFODYXICHY-MRVPVSSYSA-N -1 0 315.351 -0.248 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CN2CCCNC2=O)CCO1 ZINC000825303249 604671100 /nfs/dbraw/zinc/67/11/00/604671100.db2.gz UTCVUGVBCVORAL-VHSXEESVSA-N -1 0 314.342 -0.715 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828624317 604672625 /nfs/dbraw/zinc/67/26/25/604672625.db2.gz MUZXVHFHJHPASA-UTINFBMNSA-N -1 0 300.311 -0.321 20 0 DBADRM C[C@@]1(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)CCS(=O)(=O)C1 ZINC000825755763 604672565 /nfs/dbraw/zinc/67/25/65/604672565.db2.gz WACPSMSCEOPSHK-LDYMZIIASA-N -1 0 306.340 -0.941 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc3nnnn3c2)CCO1 ZINC000825334293 604679536 /nfs/dbraw/zinc/67/95/36/604679536.db2.gz GZINWTWXPRNRJD-WCBMZHEXSA-N -1 0 320.309 -0.379 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc3nnnn3c2)CCO1 ZINC000825334296 604679652 /nfs/dbraw/zinc/67/96/52/604679652.db2.gz GZINWTWXPRNRJD-WPRPVWTQSA-N -1 0 320.309 -0.379 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828426442 604681716 /nfs/dbraw/zinc/68/17/16/604681716.db2.gz FTWOQTJIHRDQGY-VIFPVBQESA-N -1 0 309.326 -0.439 20 0 DBADRM CN(C)C(=O)CNS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833688027 604681914 /nfs/dbraw/zinc/68/19/14/604681914.db2.gz IEZXGANFEYAZTG-UHFFFAOYSA-N -1 0 304.299 -0.110 20 0 DBADRM CCN1C[C@@H](C(=O)O[C@H](C)c2cn(CC(=O)[O-])nn2)CC1=O ZINC000829746429 604682476 /nfs/dbraw/zinc/68/24/76/604682476.db2.gz XLJHYOBGRIXCPP-BDAKNGLRSA-N -1 0 310.310 -0.165 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)C2=NN(C)C(=O)CC2)CCO1 ZINC000825295139 604682736 /nfs/dbraw/zinc/68/27/36/604682736.db2.gz SATOLGFPKMHNEL-WCBMZHEXSA-N -1 0 312.326 -0.522 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCCCNC(N)=O)CCO1 ZINC000825302956 604682787 /nfs/dbraw/zinc/68/27/87/604682787.db2.gz UDPJGRAVJMBXKV-ZJUUUORDSA-N -1 0 316.358 -0.292 20 0 DBADRM CC(C)NC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833501622 604685367 /nfs/dbraw/zinc/68/53/67/604685367.db2.gz DTKKMYKTMJOYMD-UHFFFAOYSA-N -1 0 301.324 -0.417 20 0 DBADRM C[C@@H](OC(=O)c1ccc(=O)n(C)c1)c1cn(CC(=O)[O-])nn1 ZINC000827853825 604687653 /nfs/dbraw/zinc/68/76/53/604687653.db2.gz NWQOMMDTQXOUMW-MRVPVSSYSA-N -1 0 306.278 -0.021 20 0 DBADRM COC(=O)[C@H]1CCCN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828632259 604691623 /nfs/dbraw/zinc/69/16/23/604691623.db2.gz QERLUFNLJDLGAT-VHSXEESVSA-N -1 0 300.311 -0.081 20 0 DBADRM C[C@H](OC(=O)c1cccn(C)c1=O)c1cn(CC(=O)[O-])nn1 ZINC000827866922 604693503 /nfs/dbraw/zinc/69/35/03/604693503.db2.gz JZPVAFQGZOTWCY-QMMMGPOBSA-N -1 0 306.278 -0.021 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000823569179 604694542 /nfs/dbraw/zinc/69/45/42/604694542.db2.gz XIXLFYQXXPBGBK-PSASIEDQSA-N -1 0 301.343 -0.215 20 0 DBADRM CN1CC[C@@H](C(=O)OCCc2cn(CC(=O)[O-])nn2)CC1=O ZINC000830918205 604694624 /nfs/dbraw/zinc/69/46/24/604694624.db2.gz REHXOJRVQDCGJA-SECBINFHSA-N -1 0 310.310 -0.683 20 0 DBADRM COC(=O)NC(C)(C)C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000831204149 604694787 /nfs/dbraw/zinc/69/47/87/604694787.db2.gz ORXPELBSWBTKKK-UHFFFAOYSA-N -1 0 314.298 -0.417 20 0 DBADRM C[C@@H](OC(=O)CCN1CCCC1=O)c1cn(CC(=O)[O-])nn1 ZINC000827833685 604695925 /nfs/dbraw/zinc/69/59/25/604695925.db2.gz MQULVWZUAPRKFI-SECBINFHSA-N -1 0 310.310 -0.021 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826944890 604697404 /nfs/dbraw/zinc/69/74/04/604697404.db2.gz LPMZMFVSKZKHCI-ZJUUUORDSA-N -1 0 322.383 -0.305 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@H]2CSC(=O)N2)CCO1 ZINC000825294880 604697811 /nfs/dbraw/zinc/69/78/11/604697811.db2.gz PKDUQDSAHVTMFC-XLPZGREQSA-N -1 0 303.340 -0.305 20 0 DBADRM Cn1cc(C(=O)OCCc2cn(CC(=O)[O-])nn2)ccc1=O ZINC000833041957 604699352 /nfs/dbraw/zinc/69/93/52/604699352.db2.gz IDOGWEKLRUSFBE-UHFFFAOYSA-N -1 0 306.278 -0.539 20 0 DBADRM NC(=O)c1csc(C(=O)OCCc2cn(CC(=O)[O-])nn2)c1 ZINC000833087764 604699626 /nfs/dbraw/zinc/69/96/26/604699626.db2.gz NFUAOIMEYXLJEE-UHFFFAOYSA-N -1 0 324.318 -0.077 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)CN2CCCCCC2=O)nn1 ZINC000833271511 604700584 /nfs/dbraw/zinc/70/05/84/604700584.db2.gz FQFVIXIDUAZHFV-UHFFFAOYSA-N -1 0 324.337 -0.149 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cn(CC(=O)[O-])nn1 ZINC000827817168 604700978 /nfs/dbraw/zinc/70/09/78/604700978.db2.gz JBZHVFBUNOKIEP-RKDXNWHRSA-N -1 0 322.321 -0.022 20 0 DBADRM CC1(C)NC(=O)N(CCCn2nc(C(=O)[O-])ccc2=O)C1=O ZINC000833562236 604701196 /nfs/dbraw/zinc/70/11/96/604701196.db2.gz OPXFBBDBOUFQTG-UHFFFAOYSA-N -1 0 308.294 -0.338 20 0 DBADRM COC(=O)C1(O)CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000833701644 604703506 /nfs/dbraw/zinc/70/35/06/604703506.db2.gz FDZWRPKGBCVMHS-MRVPVSSYSA-N -1 0 309.340 -0.963 20 0 DBADRM COc1c(C(=O)OCCc2cn(CC(=O)[O-])nn2)c(C)nn1C ZINC000831847198 604703859 /nfs/dbraw/zinc/70/38/59/604703859.db2.gz NTPLGTBBQYOQHW-UHFFFAOYSA-N -1 0 323.309 -0.187 20 0 DBADRM CC(=O)N[C@@H](C(=O)OCCc1cn(CC(=O)[O-])nn1)C(C)C ZINC000825853739 604703938 /nfs/dbraw/zinc/70/39/38/604703938.db2.gz HTQAZSAPSXOFCC-GFCCVEGCSA-N -1 0 312.326 -0.391 20 0 DBADRM Cn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831046901 604705152 /nfs/dbraw/zinc/70/51/52/604705152.db2.gz WMQIWFPODGRMOK-QWRGUYRKSA-N -1 0 323.353 -0.100 20 0 DBADRM Cn1cc(CCC(=O)OCCc2cn(CC(=O)[O-])nn2)cn1 ZINC000833044740 604706231 /nfs/dbraw/zinc/70/62/31/604706231.db2.gz DMHPHOPEOWAPAG-UHFFFAOYSA-N -1 0 307.310 -0.185 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCO1 ZINC000825326201 604708529 /nfs/dbraw/zinc/70/85/29/604708529.db2.gz NTVTWWVXGQVTHO-KXUCPTDWSA-N -1 0 314.342 -0.587 20 0 DBADRM CCOCCOCC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827406226 604709735 /nfs/dbraw/zinc/70/97/35/604709735.db2.gz YWOHJOLZXDHOJN-QWRGUYRKSA-N -1 0 304.343 -0.077 20 0 DBADRM CCS(=O)(=O)CCN(C)S(=O)(=O)CCCC(=O)[O-] ZINC000833665096 604713009 /nfs/dbraw/zinc/71/30/09/604713009.db2.gz DICZJCUIRKVNDF-UHFFFAOYSA-N -1 0 301.386 -0.453 20 0 DBADRM CCS(=O)(=O)CCN(C)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000833665072 604713018 /nfs/dbraw/zinc/71/30/18/604713018.db2.gz DBEMXGLLSVJESV-MRVPVSSYSA-N -1 0 301.386 -0.597 20 0 DBADRM CN([C@@H]1CCNC1=O)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833691202 604713693 /nfs/dbraw/zinc/71/36/93/604713693.db2.gz LCWSIZLQQOJBQT-ZCFIWIBFSA-N -1 0 304.349 -0.045 20 0 DBADRM CN(C(=O)c1cn(C)c(=O)n(C)c1=O)C1(C(=O)[O-])CCCC1 ZINC000830537392 604715800 /nfs/dbraw/zinc/71/58/00/604715800.db2.gz HNVQCGQMHHQMNA-UHFFFAOYSA-N -1 0 309.322 -0.447 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CN(C)C(=O)C2CC2)CCO1 ZINC000825302792 604718964 /nfs/dbraw/zinc/71/89/64/604718964.db2.gz SNJXNXGNBHJBBL-GXSJLCMTSA-N -1 0 313.354 -0.262 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)CCO1 ZINC000825333812 604719678 /nfs/dbraw/zinc/71/96/78/604719678.db2.gz ACGSQQZXDJEEJK-ONGXEEELSA-N -1 0 309.322 -0.118 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCC(=O)N2CCCCC2)C1 ZINC000831659087 604722083 /nfs/dbraw/zinc/72/20/83/604722083.db2.gz CRJKOOVIEFQAIN-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)NCCSCC(=O)[O-] ZINC000833665468 604723348 /nfs/dbraw/zinc/72/33/48/604723348.db2.gz JJUHTRIRCXPWEE-UHFFFAOYSA-N -1 0 312.413 -0.120 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCC(=O)NCC(F)(F)F)C1 ZINC000831488945 604724187 /nfs/dbraw/zinc/72/41/87/604724187.db2.gz LVHWXIRRUXZSAW-ZCFIWIBFSA-N -1 0 313.232 -0.840 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CCO1 ZINC000825324470 604726701 /nfs/dbraw/zinc/72/67/01/604726701.db2.gz AUKPQCURIQTHSM-XVKPBYJWSA-N -1 0 310.310 -0.389 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCCS(C)(=O)=O)CCO1 ZINC000825303922 604727611 /nfs/dbraw/zinc/72/76/11/604727611.db2.gz XPCVQHOAOXHICU-ZJUUUORDSA-N -1 0 322.383 -0.305 20 0 DBADRM C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC(O)(C(=O)[O-])CC1 ZINC000833549939 604729206 /nfs/dbraw/zinc/72/92/06/604729206.db2.gz IYHRERRLNYHVID-MRVPVSSYSA-N -1 0 310.358 -0.508 20 0 DBADRM C[C@@H](CN1CCCC1=O)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000824900839 604730584 /nfs/dbraw/zinc/73/05/84/604730584.db2.gz DSECGYKUAROAJX-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CC1SC(=N)NC1=O ZINC000829947193 604735511 /nfs/dbraw/zinc/73/55/11/604735511.db2.gz LDUKWIIVWWIFRA-NKWVEPMBSA-N -1 0 303.340 -0.509 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CN2CCN(C)CC2)CCO1 ZINC000825300322 604736280 /nfs/dbraw/zinc/73/62/80/604736280.db2.gz CWRGHZWUBXILSO-VXGBXAGGSA-N -1 0 314.386 -0.883 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)C(=O)Nc2cccnc2)CCO1 ZINC000825295368 604743804 /nfs/dbraw/zinc/74/38/04/604743804.db2.gz UBRSJUXITQAKIF-ONGXEEELSA-N -1 0 322.321 -0.096 20 0 DBADRM CCOC(=O)CN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000827314045 604749457 /nfs/dbraw/zinc/74/94/57/604749457.db2.gz YOQQEODZVFCBAZ-JTQLQIEISA-N -1 0 300.311 -0.081 20 0 DBADRM C[C@H](C(=O)NC1CN(C(=O)[O-])C1)N1C(=O)NC2(CCCC2)C1=O ZINC000738626122 604751273 /nfs/dbraw/zinc/75/12/73/604751273.db2.gz TXALHEHOUDCIJA-MRVPVSSYSA-N -1 0 324.337 -0.282 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)C2(NC(=O)[O-])CC2)C[C@H](C)O1 ZINC000825989249 604753272 /nfs/dbraw/zinc/75/32/72/604753272.db2.gz UPFHOIHEUXXUBA-DTORHVGOSA-N -1 0 300.311 -0.034 20 0 DBADRM O=C([O-])N1CC(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000740403066 604753945 /nfs/dbraw/zinc/75/39/45/604753945.db2.gz ICEJMDSMDSOQFP-ZCFIWIBFSA-N -1 0 309.244 -0.124 20 0 DBADRM O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NC1CN(C(=O)[O-])C1 ZINC000831567200 604753964 /nfs/dbraw/zinc/75/39/64/604753964.db2.gz FKPNDMRQQYJBQD-UHFFFAOYSA-N -1 0 318.289 -0.420 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000827029360 604756671 /nfs/dbraw/zinc/75/66/71/604756671.db2.gz JRLVDGSVYCEAEQ-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CCCN(C)S(=O)(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000826893346 604762071 /nfs/dbraw/zinc/76/20/71/604762071.db2.gz RRRFSUWWCKWABD-UHFFFAOYSA-N -1 0 308.404 -0.542 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC2CN(C(=O)[O-])C2)o1 ZINC000739752685 604763378 /nfs/dbraw/zinc/76/33/78/604763378.db2.gz NGDSZAJGGSSMKT-UHFFFAOYSA-N -1 0 303.296 -0.720 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)COC(=O)C1(NC(=O)[O-])CC1 ZINC000828904089 604763421 /nfs/dbraw/zinc/76/34/21/604763421.db2.gz SCHAYTJHPUTNGU-SSDOTTSWSA-N -1 0 317.298 -0.810 20 0 DBADRM NS(=O)(=O)Cc1cccc(C(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000740338649 604769989 /nfs/dbraw/zinc/76/99/89/604769989.db2.gz REWATLMULKNVLN-UHFFFAOYSA-N -1 0 313.335 -0.433 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@@H](O)c2cccnc2)CCO1 ZINC000825295582 604772393 /nfs/dbraw/zinc/77/23/93/604772393.db2.gz VMGLNBPCUDCOAA-WCQGTBRESA-N -1 0 309.322 -0.002 20 0 DBADRM CCNC(=O)CNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827243322 604783019 /nfs/dbraw/zinc/78/30/19/604783019.db2.gz XTJKVFDCIVQJBG-RKDXNWHRSA-N -1 0 302.331 -0.811 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[O-])CC2)nc1 ZINC000833762600 604783448 /nfs/dbraw/zinc/78/34/48/604783448.db2.gz XWYFWOMVDDJNGO-UHFFFAOYSA-N -1 0 314.323 -0.835 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000830893209 604803603 /nfs/dbraw/zinc/80/36/03/604803603.db2.gz JPYOELKVPRVZTH-ZJUUUORDSA-N -1 0 309.326 -0.604 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(C(=O)CNC(=O)c2cccnc2)C1 ZINC000832583237 604807727 /nfs/dbraw/zinc/80/77/27/604807727.db2.gz NLEFJIIHKCGIPV-JTQLQIEISA-N -1 0 306.322 -0.073 20 0 DBADRM CCNC(=O)N1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000829795169 604808026 /nfs/dbraw/zinc/80/80/26/604808026.db2.gz QMNYGWQUVZBWJM-VIFPVBQESA-N -1 0 307.372 -0.616 20 0 DBADRM NS(=O)(=O)c1ccc(NCCc2nnc[nH]2)c(C(=O)[O-])c1 ZINC000833089460 604811393 /nfs/dbraw/zinc/81/13/93/604811393.db2.gz UHHBMRJZRHEQNI-UHFFFAOYSA-N -1 0 311.323 -0.195 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000833785891 604812293 /nfs/dbraw/zinc/81/22/93/604812293.db2.gz DDQFNTMYGJNVTR-SECBINFHSA-N -1 0 307.262 -0.662 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000825176768 604816388 /nfs/dbraw/zinc/81/63/88/604816388.db2.gz BKLIGSMROSCAKX-NWDGAFQWSA-N -1 0 315.370 -0.408 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000823557108 604818315 /nfs/dbraw/zinc/81/83/15/604818315.db2.gz UHJJXWAZCRQAQX-USWWRNFRSA-N -1 0 313.354 -0.119 20 0 DBADRM COC(=O)CSCCNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828689418 604839403 /nfs/dbraw/zinc/83/94/03/604839403.db2.gz QBKIYDFLUGVXDO-QMMMGPOBSA-N -1 0 306.340 -0.612 20 0 DBADRM COC(=O)CSCCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828693754 604839214 /nfs/dbraw/zinc/83/92/14/604839214.db2.gz BPHLVHMJDATCQI-VIFPVBQESA-N -1 0 320.367 -0.222 20 0 DBADRM O=C([O-])Cn1cc(CCN2CCN(c3ncccn3)CC2)nn1 ZINC000833269921 604841262 /nfs/dbraw/zinc/84/12/62/604841262.db2.gz IAJGCRJIKUKQGQ-UHFFFAOYSA-N -1 0 317.353 -0.483 20 0 DBADRM CC[C@H](O)CN1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000826626617 604842279 /nfs/dbraw/zinc/84/22/79/604842279.db2.gz WTLALYASJJBITP-RYUDHWBXSA-N -1 0 315.370 -0.720 20 0 DBADRM CC[C@H](O)CN1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000826626616 604842304 /nfs/dbraw/zinc/84/23/04/604842304.db2.gz WTLALYASJJBITP-NWDGAFQWSA-N -1 0 315.370 -0.720 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000828557487 604842470 /nfs/dbraw/zinc/84/24/70/604842470.db2.gz KSCLZVUXZSQYSM-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCCN2CCCCC2=O)C1 ZINC000831676982 604843398 /nfs/dbraw/zinc/84/33/98/604843398.db2.gz VHVHQIDDBHTIFA-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000833555255 604848044 /nfs/dbraw/zinc/84/80/44/604848044.db2.gz VAWAGRQIXDTSCL-GFCCVEGCSA-N -1 0 315.351 -0.607 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCCOC[C@H]1CCOC1 ZINC000831380569 604854175 /nfs/dbraw/zinc/85/41/75/604854175.db2.gz FMFVHQRBBDPMHZ-NWDGAFQWSA-N -1 0 316.354 -0.075 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCCOC[C@@H]1CCOC1 ZINC000831380571 604854807 /nfs/dbraw/zinc/85/48/07/604854807.db2.gz FMFVHQRBBDPMHZ-VXGBXAGGSA-N -1 0 316.354 -0.075 20 0 DBADRM CC(C)COC[C@H](O)CNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833487416 604857694 /nfs/dbraw/zinc/85/76/94/604857694.db2.gz CUHMLQIDRAUPBS-SECBINFHSA-N -1 0 300.315 -0.874 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000824357315 604858895 /nfs/dbraw/zinc/85/88/95/604858895.db2.gz PDASGJDHFNVLHN-QWRGUYRKSA-N -1 0 313.354 -0.119 20 0 DBADRM COC(=O)CCSCCNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828675192 604859104 /nfs/dbraw/zinc/85/91/04/604859104.db2.gz LMOBLPDKCIHDBT-SECBINFHSA-N -1 0 320.367 -0.222 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827470895 604859152 /nfs/dbraw/zinc/85/91/52/604859152.db2.gz DVRYOBUCVUVKPI-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM CCCCn1nccc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000820317241 604861070 /nfs/dbraw/zinc/86/10/70/604861070.db2.gz QVUYRRUPWQGJAX-JTQLQIEISA-N -1 0 324.337 -0.066 20 0 DBADRM CC(C)(C(=O)N[C@@H]1CC[S@@](=O)C1)N1CCN(C(=O)[O-])CC1 ZINC000823744229 604864881 /nfs/dbraw/zinc/86/48/81/604864881.db2.gz ZSKMFZWRNLNXSN-LADRHHBVSA-N -1 0 317.411 -0.302 20 0 DBADRM CC(C)(C(=O)N[C@@H]1CC[S@](=O)C1)N1CCN(C(=O)[O-])CC1 ZINC000823744231 604865057 /nfs/dbraw/zinc/86/50/57/604865057.db2.gz ZSKMFZWRNLNXSN-UZJPJQLHSA-N -1 0 317.411 -0.302 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000819467310 604865715 /nfs/dbraw/zinc/86/57/15/604865715.db2.gz MBHMUTAXRIWAFO-UHFFFAOYSA-N -1 0 303.278 -0.203 20 0 DBADRM COc1ncc(NC(=O)[C@@H]2COCCN2C(=O)[O-])cc1C(N)=O ZINC000829659851 604867910 /nfs/dbraw/zinc/86/79/10/604867910.db2.gz GFVFYWNEPLZVDJ-VIFPVBQESA-N -1 0 324.293 -0.494 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831174142 604868548 /nfs/dbraw/zinc/86/85/48/604868548.db2.gz QXNVNHXYQUVRKW-MXWKQRLJSA-N -1 0 313.354 -0.084 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000824809784 604873206 /nfs/dbraw/zinc/87/32/06/604873206.db2.gz KIOQJHLRCVERKA-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM COC(=O)C1(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCC1 ZINC000833701963 604874826 /nfs/dbraw/zinc/87/48/26/604874826.db2.gz KYSXLGAQEMLKAT-UHFFFAOYSA-N -1 0 317.323 -0.658 20 0 DBADRM CNC(=O)CNC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828543301 604875357 /nfs/dbraw/zinc/87/53/57/604875357.db2.gz SNLHNNZGZDGSGP-SFYZADRCSA-N -1 0 302.331 -0.465 20 0 DBADRM CNC(=O)CNC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828543302 604875682 /nfs/dbraw/zinc/87/56/82/604875682.db2.gz SNLHNNZGZDGSGP-YUMQZZPRSA-N -1 0 302.331 -0.465 20 0 DBADRM C[C@H]([C@H](C)N(C)CCc1cn(CC(=O)[O-])nn1)S(C)(=O)=O ZINC000833407269 604877821 /nfs/dbraw/zinc/87/78/21/604877821.db2.gz JNEIUSMNYBSKAH-VHSXEESVSA-N -1 0 318.399 -0.341 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NC[C@]2(CCO)CCOC2)C1 ZINC000831629086 604882483 /nfs/dbraw/zinc/88/24/83/604882483.db2.gz XQAHMWOFALSIBN-GWCFXTLKSA-N -1 0 301.343 -0.173 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)cn1 ZINC000831009280 604882754 /nfs/dbraw/zinc/88/27/54/604882754.db2.gz PKHKDGBYCVROAN-LBPRGKRZSA-N -1 0 323.353 -0.553 20 0 DBADRM CC1=C(C(=O)[O-])C[C@H](Cn2cnc3c2c(=O)n(C)c(=O)n3C)O1 ZINC000833580188 604885868 /nfs/dbraw/zinc/88/58/68/604885868.db2.gz UTCPRULQPOCPHR-MRVPVSSYSA-N -1 0 320.305 -0.419 20 0 DBADRM CN(C)C(=O)CCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833687746 604891185 /nfs/dbraw/zinc/89/11/85/604891185.db2.gz SULGUIRRQUADPC-NSHDSACASA-N -1 0 301.343 -0.668 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)N[C@@H]1CCCn2ncnc21 ZINC000831375779 604891318 /nfs/dbraw/zinc/89/13/18/604891318.db2.gz PATYHNUXXULTHD-NXEZZACHSA-N -1 0 309.326 -0.002 20 0 DBADRM COc1ccccc1[C@H](O)CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000829610237 604895290 /nfs/dbraw/zinc/89/52/90/604895290.db2.gz ANSCRAAWFYQJCX-YUSALJHKSA-N -1 0 324.333 -0.042 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](O)COc1ccccc1 ZINC000831620260 604897756 /nfs/dbraw/zinc/89/77/56/604897756.db2.gz GJXVDYPRMKKYNF-NTZNESFSSA-N -1 0 324.333 -0.344 20 0 DBADRM Cn1[nH]cnc1=NC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000831058624 604900337 /nfs/dbraw/zinc/90/03/37/604900337.db2.gz KVCRAILIJJDZBM-UHFFFAOYSA-N -1 0 320.313 -0.604 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)CO)CC1 ZINC000833481888 604900694 /nfs/dbraw/zinc/90/06/94/604900694.db2.gz XSLRTZSMAXEJJL-SNVBAGLBSA-N -1 0 301.343 -0.668 20 0 DBADRM CCN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)[C@@H](C)CS(C)(=O)=O ZINC000826970374 604904196 /nfs/dbraw/zinc/90/41/96/604904196.db2.gz QKDYFJGUOBPIHP-UWVGGRQHSA-N -1 0 322.383 -0.353 20 0 DBADRM C[C@H](C(N)=O)N(C)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000711111987 604904740 /nfs/dbraw/zinc/90/47/40/604904740.db2.gz CFVAEFKJDJZRSO-MRVPVSSYSA-N -1 0 300.336 -0.192 20 0 DBADRM C[C@@H](OC(=O)CN(C)[C@H]1CCSC1)C(=O)NCC(=O)[O-] ZINC000833529244 604906389 /nfs/dbraw/zinc/90/63/89/604906389.db2.gz NNRZNLUPPATBAO-BDAKNGLRSA-N -1 0 304.368 -0.444 20 0 DBADRM NC(=O)N1CC[C@@H](NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831200243 604906600 /nfs/dbraw/zinc/90/66/00/604906600.db2.gz XWUIXQXBSIVKHY-BDAKNGLRSA-N -1 0 300.315 -0.976 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833492157 604908038 /nfs/dbraw/zinc/90/80/38/604908038.db2.gz RAASEJRPDWWFNV-LBPRGKRZSA-N -1 0 321.395 -0.259 20 0 DBADRM CC(C)N(CCC(=O)[O-])Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000833498425 604908826 /nfs/dbraw/zinc/90/88/26/604908826.db2.gz QBGKJUJHVPVSDY-UHFFFAOYSA-N -1 0 323.353 -0.355 20 0 DBADRM C[C@H](C(N)=O)N(C)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000833406542 604910454 /nfs/dbraw/zinc/91/04/54/604910454.db2.gz AAZXWULJXXGUPW-MRVPVSSYSA-N -1 0 322.321 -0.162 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(C)c1)C(=O)[O-] ZINC000828186792 604913394 /nfs/dbraw/zinc/91/33/94/604913394.db2.gz UKBGFWFWEMQTHT-JTQLQIEISA-N -1 0 309.326 -0.041 20 0 DBADRM CC1(C)CN(CCc2cn(CC(=O)[O-])nn2)CCS1(=O)=O ZINC000833560982 604915217 /nfs/dbraw/zinc/91/52/17/604915217.db2.gz COMPSXXZZCHPGR-UHFFFAOYSA-N -1 0 316.383 -0.586 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)NC[C@@H](O)c1cnn(C)c1 ZINC000829729134 604919349 /nfs/dbraw/zinc/91/93/49/604919349.db2.gz CEXHWJPGEFCYFF-VHSXEESVSA-N -1 0 316.383 -0.041 20 0 DBADRM COCCN1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C[C@@H]1C ZINC000828992990 604924941 /nfs/dbraw/zinc/92/49/41/604924941.db2.gz UGJLZZVOAXWNEH-NWDGAFQWSA-N -1 0 315.370 -0.456 20 0 DBADRM NC(=O)c1csc(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)n1 ZINC000831241796 604930137 /nfs/dbraw/zinc/93/01/37/604930137.db2.gz YKLJWUSOCFZBDO-ZCFIWIBFSA-N -1 0 314.323 -0.051 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCC[C@@H](O)C(F)(F)F)C1 ZINC000831659466 604939239 /nfs/dbraw/zinc/93/92/39/604939239.db2.gz ICTNQSVDSCSJRR-NKWVEPMBSA-N -1 0 300.233 -0.205 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CCS1(=O)=O ZINC000825975821 604944210 /nfs/dbraw/zinc/94/42/10/604944210.db2.gz ROQDQPSBRBZOEL-DTWKUNHWSA-N -1 0 306.340 -0.989 20 0 DBADRM CSC[C@@](C)(O)CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000829716781 604947286 /nfs/dbraw/zinc/94/72/86/604947286.db2.gz ORYYFIZNBMNANW-CABZTGNLSA-N -1 0 306.384 -0.015 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@@H](Cn3cncn3)C2)C1 ZINC000832051406 604945883 /nfs/dbraw/zinc/94/58/83/604945883.db2.gz WDKKMISMBSFLTC-NEPJUHHUSA-N -1 0 323.353 -0.105 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CN(C(=O)[O-])CCO1)CN1CCOCC1 ZINC000824915022 604946208 /nfs/dbraw/zinc/94/62/08/604946208.db2.gz IIXFHARAARFBCV-VXGBXAGGSA-N -1 0 315.370 -0.550 20 0 DBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)NC1CN(C(=O)[O-])C1 ZINC000739052038 604952445 /nfs/dbraw/zinc/95/24/45/604952445.db2.gz FDCZSINEEVSTBT-LURJTMIESA-N -1 0 312.355 -0.033 20 0 DBADRM Cc1oc(C(=O)NC2CN(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000830943715 604953810 /nfs/dbraw/zinc/95/38/10/604953810.db2.gz YQBLLZCSJDRQHV-UHFFFAOYSA-N -1 0 303.296 -0.673 20 0 DBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)NC1CN(C(=O)[O-])C1 ZINC000740379411 604954102 /nfs/dbraw/zinc/95/41/02/604954102.db2.gz HEIQKBJEMPYFGS-MRVPVSSYSA-N -1 0 308.381 -0.615 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O ZINC000833740090 604958933 /nfs/dbraw/zinc/95/89/33/604958933.db2.gz BKAPNNSNALWPDU-YUMQZZPRSA-N -1 0 301.299 -0.948 20 0 DBADRM C[C@@H](OC(=O)[C@H](C)NC(=O)[O-])C(=O)Nc1ncnc2[nH]cnc21 ZINC000833532484 604960408 /nfs/dbraw/zinc/96/04/08/604960408.db2.gz IUWPEXYVQUFRHE-NTSWFWBYSA-N -1 0 322.281 -0.121 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)[O-])CC1 ZINC000833393107 604961758 /nfs/dbraw/zinc/96/17/58/604961758.db2.gz HIXCHWPUQJCFJV-DTWKUNHWSA-N -1 0 315.326 -0.735 20 0 DBADRM COC(=O)C1CCN(C(=O)COC(=O)[C@H](C)NC(=O)[O-])CC1 ZINC000833706760 604963968 /nfs/dbraw/zinc/96/39/68/604963968.db2.gz DBYOSZGLOQPCCI-QMMMGPOBSA-N -1 0 316.310 -0.403 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N(CCO)CCN1CCOCC1 ZINC000827080123 604969389 /nfs/dbraw/zinc/96/93/89/604969389.db2.gz WPDSKBNOEGLAOO-LBPRGKRZSA-N -1 0 317.386 -0.568 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1=O ZINC000825858428 604970027 /nfs/dbraw/zinc/97/00/27/604970027.db2.gz BCJXGUVHYSECIT-RCWTZXSCSA-N -1 0 311.338 -0.509 20 0 DBADRM COCC[C@](C)(O)CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828933652 604972318 /nfs/dbraw/zinc/97/23/18/604972318.db2.gz FPHABMLSPLEJQF-MFKMUULPSA-N -1 0 304.343 -0.341 20 0 DBADRM C[C@H](C(N)=O)N(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000833406921 604972441 /nfs/dbraw/zinc/97/24/41/604972441.db2.gz FRTNVBIBQBXXHO-MFKMUULPSA-N -1 0 319.361 -0.170 20 0 DBADRM O=C([O-])N1CC[C@@H](C(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000831698963 604972935 /nfs/dbraw/zinc/97/29/35/604972935.db2.gz ALDJAXQFQVRYMR-SNVBAGLBSA-N -1 0 304.368 -0.073 20 0 DBADRM CC(C)NC(=O)NC(=O)[C@@H](C)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833503299 604980008 /nfs/dbraw/zinc/98/00/08/604980008.db2.gz TUOBVZBDGJGMOE-MWLCHTKSSA-N -1 0 315.370 -0.233 20 0 DBADRM CC(C)NC(=O)NC(=O)[C@H](C)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833503297 604980228 /nfs/dbraw/zinc/98/02/28/604980228.db2.gz TUOBVZBDGJGMOE-GXSJLCMTSA-N -1 0 315.370 -0.233 20 0 DBADRM C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833549876 604981709 /nfs/dbraw/zinc/98/17/09/604981709.db2.gz HNPMGRSVDQRNFO-SCZZXKLOSA-N -1 0 324.385 -0.262 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000833431331 604992676 /nfs/dbraw/zinc/99/26/76/604992676.db2.gz SOTGZCIBYUXKOB-LURJTMIESA-N -1 0 316.326 -0.071 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N[C@@H](CC(F)F)C(=O)[O-])C1=O ZINC000314230265 604995623 /nfs/dbraw/zinc/99/56/23/604995623.db2.gz WAYMNJSHMAJBKM-YFKPBYRVSA-N -1 0 307.253 -0.459 20 0 DBADRM CCn1ccc(=O)n(Cc2noc(CCCC(=O)[O-])n2)c1=O ZINC000833683466 605002903 /nfs/dbraw/zinc/00/29/03/605002903.db2.gz PXEDYWYWSKVTBB-UHFFFAOYSA-N -1 0 308.294 -0.132 20 0 DBADRM CC[C@H](OC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000833645656 605011769 /nfs/dbraw/zinc/01/17/69/605011769.db2.gz OZNQKOAOJGUODH-QMMMGPOBSA-N -1 0 305.312 -0.895 20 0 DBADRM CC[C@@H](OC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000833646698 605013982 /nfs/dbraw/zinc/01/39/82/605013982.db2.gz XDGPFFLJWAYGBI-MRVPVSSYSA-N -1 0 305.312 -0.673 20 0 DBADRM CC[C@H](OC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000833646700 605014062 /nfs/dbraw/zinc/01/40/62/605014062.db2.gz XDGPFFLJWAYGBI-QMMMGPOBSA-N -1 0 305.312 -0.673 20 0 DBADRM COC(=O)c1cncc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])c1 ZINC000833716972 605018368 /nfs/dbraw/zinc/01/83/68/605018368.db2.gz DYLZQUHFGZNMRD-ZETCQYMHSA-N -1 0 310.262 -0.386 20 0 DBADRM CC(=O)N1CCOC[C@@H]1C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000833392029 605025307 /nfs/dbraw/zinc/02/53/07/605025307.db2.gz QMIPDFUFNFAABC-SECBINFHSA-N -1 0 313.335 -0.044 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(N)=O ZINC000833468373 605026687 /nfs/dbraw/zinc/02/66/87/605026687.db2.gz AULVUJSOVNZCJI-ZCFIWIBFSA-N -1 0 307.353 -0.371 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H](O)C(F)(F)F)c[nH]1 ZINC000236522881 605030814 /nfs/dbraw/zinc/03/08/14/605030814.db2.gz QVETWYSRVBFJQT-LURJTMIESA-N -1 0 302.230 -0.086 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000833678368 605031167 /nfs/dbraw/zinc/03/11/67/605031167.db2.gz OUWZJAFGIOVIBV-VIFPVBQESA-N -1 0 324.337 -0.377 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN(CC(C)(C)O)CC1)C(=O)[O-] ZINC000833517872 605033000 /nfs/dbraw/zinc/03/30/00/605033000.db2.gz DOWSINMHMCYXRR-JTQLQIEISA-N -1 0 308.400 -0.575 20 0 DBADRM NC(=O)c1ccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)c(F)c1 ZINC000833762797 605035887 /nfs/dbraw/zinc/03/58/87/605035887.db2.gz XAGHEZZNEAJZLE-UHFFFAOYSA-N -1 0 324.268 -0.659 20 0 DBADRM CSC[C@@](C)(O)CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000833738634 605037087 /nfs/dbraw/zinc/03/70/87/605037087.db2.gz ORFVHBCFXGTKMP-JTQLQIEISA-N -1 0 323.396 -0.191 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000833761842 605038978 /nfs/dbraw/zinc/03/89/78/605038978.db2.gz BDHXYMQMQHJXNO-UHFFFAOYSA-N -1 0 314.323 -0.835 20 0 DBADRM C[C@@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(=O)N(C)C ZINC000833739107 605045220 /nfs/dbraw/zinc/04/52/20/605045220.db2.gz HDTTWGGGXHGRCK-RXMQYKEDSA-N -1 0 307.353 -0.404 20 0 DBADRM C[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000833528593 605051092 /nfs/dbraw/zinc/05/10/92/605051092.db2.gz POUMNGUEKJZBCO-NXEZZACHSA-N -1 0 317.367 -0.251 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC[S@@](C)=O ZINC000833627690 605053609 /nfs/dbraw/zinc/05/36/09/605053609.db2.gz ZIKTULAKDCIZTA-CFMSYZGJSA-N -1 0 305.400 -0.445 20 0 DBADRM C[C@H]1CN(C(=O)c2ccnc3c(C(N)=O)cnn32)C[C@H]1C(=O)[O-] ZINC000833626492 605054475 /nfs/dbraw/zinc/05/44/75/605054475.db2.gz XLHGHQMRTBKLDT-IONNQARKSA-N -1 0 317.305 -0.379 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)OCc1ccccc1CC(=O)[O-] ZINC000833396893 605054523 /nfs/dbraw/zinc/05/45/23/605054523.db2.gz RNJUFKOFSBSHIS-UHFFFAOYSA-N -1 0 322.317 -0.391 20 0 DBADRM CC(C)(C)[C@@H](O)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000833423387 605059893 /nfs/dbraw/zinc/05/98/93/605059893.db2.gz AMARDRAZZYFTHG-LBPRGKRZSA-N -1 0 302.371 -0.361 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NC[C@@H]1CCCS1(=O)=O ZINC000831529110 605077072 /nfs/dbraw/zinc/07/70/72/605077072.db2.gz GDPDBTHFSNFGOB-VIFPVBQESA-N -1 0 306.340 -0.941 20 0 DBADRM CC1(C)OCC(C)(C(=O)OCC(=O)NCCC(=O)[O-])CO1 ZINC000833562314 605078606 /nfs/dbraw/zinc/07/86/06/605078606.db2.gz BQBLXTJVQCOOML-UHFFFAOYSA-N -1 0 303.311 -0.090 20 0 DBADRM CN(CC(C)(C)S(C)(=O)=O)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833692305 605084833 /nfs/dbraw/zinc/08/48/33/605084833.db2.gz MEGWGUSIIPTYHN-UHFFFAOYSA-N -1 0 318.355 -0.742 20 0 DBADRM CC(=O)N1CC[C@H](COC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823549696 605087571 /nfs/dbraw/zinc/08/75/71/605087571.db2.gz IWSMFEMPSBDYEO-WDEREUQCSA-N -1 0 300.311 -0.223 20 0 DBADRM CC[S@](=O)CCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000133825053 605087516 /nfs/dbraw/zinc/08/75/16/605087516.db2.gz ZUEIRAYNSYVCAC-HXUWFJFHSA-N -1 0 306.384 -0.064 20 0 DBADRM CCN(CC)C(=O)N1CCC(C(=O)NC[C@H](O)C(=O)[O-])CC1 ZINC000833653906 605089089 /nfs/dbraw/zinc/08/90/89/605089089.db2.gz OUGIWPBLBIPHAR-NSHDSACASA-N -1 0 315.370 -0.278 20 0 DBADRM CN1C(=O)C[C@H](C(=O)NC[C@H](O)C(=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000833697803 605090865 /nfs/dbraw/zinc/09/08/65/605090865.db2.gz KLMFXCNFGCOLAE-GMXVVIOVSA-N -1 0 324.308 -0.093 20 0 DBADRM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NC[C@H](O)C(=O)[O-] ZINC000833508924 605091077 /nfs/dbraw/zinc/09/10/77/605091077.db2.gz QWTJBMRXWGOZHC-IUCAKERBSA-N -1 0 303.359 -0.330 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)CCCNC(=O)[O-])c(=O)n(C)c1 ZINC000830084064 605094386 /nfs/dbraw/zinc/09/43/86/605094386.db2.gz GCZXZTFRSOXCOK-UHFFFAOYSA-N -1 0 324.337 -0.252 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000833620607 605107885 /nfs/dbraw/zinc/10/78/85/605107885.db2.gz LMBKSWWLNCNNAO-GHMZBOCLSA-N -1 0 318.395 -0.572 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)n(C)n1 ZINC000739539659 605112176 /nfs/dbraw/zinc/11/21/76/605112176.db2.gz RCOPXLAKJIKXGP-VIFPVBQESA-N -1 0 309.326 -0.211 20 0 DBADRM Cc1cc(N2CCN3C(=O)CC[C@@H]3C2)n2nc(C(=O)[O-])nc2n1 ZINC000833746216 605119431 /nfs/dbraw/zinc/11/94/31/605119431.db2.gz UKLMQHDLQUBJND-SECBINFHSA-N -1 0 316.321 -0.058 20 0 DBADRM O=C(CC1CN(C(=O)[O-])C1)NCCS(=O)(=O)CC1CC1 ZINC000831360960 605121779 /nfs/dbraw/zinc/12/17/79/605121779.db2.gz SJPNARGUIUISSJ-UHFFFAOYSA-N -1 0 304.368 -0.073 20 0 DBADRM CN(CC(C)(CO)CO)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000833691426 605122406 /nfs/dbraw/zinc/12/24/06/605122406.db2.gz AWTYGZGLJQBVCR-UHFFFAOYSA-N -1 0 300.315 -0.578 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CCCc2c[nH]nc21 ZINC000831486078 605127943 /nfs/dbraw/zinc/12/79/43/605127943.db2.gz ZBGBCZCHXRCKRR-JTQLQIEISA-N -1 0 321.337 -0.275 20 0 DBADRM Cn1nnnc1SCCC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000740304528 605129641 /nfs/dbraw/zinc/12/96/41/605129641.db2.gz MZEZPKYSHCXMEP-ZETCQYMHSA-N -1 0 300.344 -0.439 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739989947 605130631 /nfs/dbraw/zinc/13/06/31/605130631.db2.gz DWOFPJDNLALHFO-DTWKUNHWSA-N -1 0 305.356 -0.721 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000832372139 605138631 /nfs/dbraw/zinc/13/86/31/605138631.db2.gz VWLZDCXXNPMITH-IUCAKERBSA-N -1 0 307.310 -0.369 20 0 DBADRM CC(=O)N1CCOC[C@H]1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000833391003 605139761 /nfs/dbraw/zinc/13/97/61/605139761.db2.gz FYXOERIKEQDWPE-NSHDSACASA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC(=O)NC1=O ZINC000832230745 605150031 /nfs/dbraw/zinc/15/00/31/605150031.db2.gz HIRBVVMTPMCRMZ-PBINXNQUSA-N -1 0 324.337 -0.282 20 0 DBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(CCCF)C2)CC1 ZINC000832043632 605157520 /nfs/dbraw/zinc/15/75/20/605157520.db2.gz ZFEOTYZJKQKKEU-UHFFFAOYSA-N -1 0 309.363 -0.344 20 0 DBADRM CCc1nc([C@H]2CN(C(=O)NCCNC(=O)[O-])CCO2)n[nH]1 ZINC000827619807 605158834 /nfs/dbraw/zinc/15/88/34/605158834.db2.gz BTAYRLIMAXNWIP-MRVPVSSYSA-N -1 0 312.330 -0.282 20 0 DBADRM C[C@H](CC[S@](C)=O)NC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000824810292 605158863 /nfs/dbraw/zinc/15/88/63/605158863.db2.gz PAXKZYAYMHPHLJ-UZJPJQLHSA-N -1 0 319.427 -0.008 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[C@H](NC(=O)[O-])C1 ZINC000823687290 605161782 /nfs/dbraw/zinc/16/17/82/605161782.db2.gz WFSNPNBGZUQUQK-GUBZILKMSA-N -1 0 319.383 -0.980 20 0 DBADRM NC(=O)CONC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000833761489 605169536 /nfs/dbraw/zinc/16/95/36/605169536.db2.gz FCVIYLMAMQVFQN-UHFFFAOYSA-N -1 0 310.266 -0.961 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(c2ccc(F)cn2)CC1 ZINC000833404169 605184612 /nfs/dbraw/zinc/18/46/12/605184612.db2.gz IHEAOZZGMDBBEE-JTQLQIEISA-N -1 0 310.329 -0.068 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000824959956 605185508 /nfs/dbraw/zinc/18/55/08/605185508.db2.gz ONGHFNKTSJURHT-DTWKUNHWSA-N -1 0 307.372 -0.139 20 0 DBADRM CC(C)(CC(=O)[O-])NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000777909199 605190960 /nfs/dbraw/zinc/19/09/60/605190960.db2.gz UMBSQMOGYRPTGD-UHFFFAOYSA-N -1 0 322.383 -0.087 20 0 DBADRM CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000819737432 605198394 /nfs/dbraw/zinc/19/83/94/605198394.db2.gz QTDDIKQTCBWWFF-GHXNOFRVSA-N -1 0 320.301 -0.092 20 0 DBADRM Cc1cc(NC(=O)COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)no1 ZINC000830107206 605199920 /nfs/dbraw/zinc/19/99/20/605199920.db2.gz HOCMFDCPCYVQBS-QMMMGPOBSA-N -1 0 313.266 -0.156 20 0 DBADRM C[C@H](NC(=O)[C@]1(F)CCN(C(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC000825077266 605200242 /nfs/dbraw/zinc/20/02/42/605200242.db2.gz WTTVWIKKVRMIKF-KWBADKCTSA-N -1 0 303.334 -0.086 20 0 DBADRM C[C@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)[C@H]1CN(C)CCO1 ZINC000825109155 605201102 /nfs/dbraw/zinc/20/11/02/605201102.db2.gz RSPBCWIYUYZCPR-QJPTWQEYSA-N -1 0 315.370 -0.409 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)Nc1ncccn1 ZINC000825572561 605203524 /nfs/dbraw/zinc/20/35/24/605203524.db2.gz VTPFRSBHUWUAKG-RKDXNWHRSA-N -1 0 324.293 -0.274 20 0 DBADRM COC(=O)c1cc(CN2CCO[C@@H](C(N)=O)C2)cc(C(=O)[O-])c1 ZINC000833712771 605204180 /nfs/dbraw/zinc/20/41/80/605204180.db2.gz MNXHOUIMRFBOMW-GFCCVEGCSA-N -1 0 322.317 -0.143 20 0 DBADRM CN(CC1CC1)C(=O)COC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828171273 605206870 /nfs/dbraw/zinc/20/68/70/605206870.db2.gz ZNMBWLQSSZSJJC-SNVBAGLBSA-N -1 0 300.311 -0.223 20 0 DBADRM CC(C)C[C@H](NC(=O)CNS(=O)(=O)CCCF)C(=O)[O-] ZINC000833493372 605211134 /nfs/dbraw/zinc/21/11/34/605211134.db2.gz YQGGWNIIOSIEBU-VIFPVBQESA-N -1 0 312.363 -0.119 20 0 DBADRM CN(CCCC(=O)NC[C@@H](O)CN1CCOCC1)C(=O)[O-] ZINC000828279131 605224506 /nfs/dbraw/zinc/22/45/06/605224506.db2.gz UDHUEFKWLUGVMQ-LLVKDONJSA-N -1 0 303.359 -0.814 20 0 DBADRM O=C([O-])NC1(C(=O)NC[C@@H](O)CN2CCOCC2)CCCC1 ZINC000832161308 605225297 /nfs/dbraw/zinc/22/52/97/605225297.db2.gz DRPZTMCTXAKTGG-LLVKDONJSA-N -1 0 315.370 -0.624 20 0 DBADRM C[C@H](OC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C(=O)NC1CC1 ZINC000825584557 605227497 /nfs/dbraw/zinc/22/74/97/605227497.db2.gz CJRTZOIWDYBPEX-WPRPVWTQSA-N -1 0 300.311 -0.034 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827250424 605228285 /nfs/dbraw/zinc/22/82/85/605228285.db2.gz RXCFFOAXTHMYEQ-MRVPVSSYSA-N -1 0 317.298 -0.856 20 0 DBADRM COC(=O)N1CC(NC(=O)NCCN(C(=O)[O-])C2CC2)C1 ZINC000828704120 605228314 /nfs/dbraw/zinc/22/83/14/605228314.db2.gz ICCHGETXVLGVMH-UHFFFAOYSA-N -1 0 300.315 -0.121 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CCC(NC(=O)[O-])CC2)C1 ZINC000828705446 605231864 /nfs/dbraw/zinc/23/18/64/605231864.db2.gz USYYNPQLKMUVOO-UHFFFAOYSA-N -1 0 300.315 -0.121 20 0 DBADRM CC(C)NC(=O)CNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824370039 605243472 /nfs/dbraw/zinc/24/34/72/605243472.db2.gz ZCAIRFUIHPHPET-SNVBAGLBSA-N -1 0 301.343 -0.214 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000823759191 605251048 /nfs/dbraw/zinc/25/10/48/605251048.db2.gz GLMALIJEXSMNRH-DTWKUNHWSA-N -1 0 321.399 -0.181 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NC[C@H](CO)Cc2ccco2)C1 ZINC000831615800 605259113 /nfs/dbraw/zinc/25/91/13/605259113.db2.gz FOGHUVNCWKMVNW-ZYHUDNBSSA-N -1 0 312.322 -0.074 20 0 DBADRM COC(=O)Cn1cc([C@@H](C)OC(=O)[C@H](C)NC(=O)[O-])nn1 ZINC000828699683 605265762 /nfs/dbraw/zinc/26/57/62/605265762.db2.gz JLVLAMFPAUEKMO-NKWVEPMBSA-N -1 0 300.271 -0.289 20 0 DBADRM CCNC(=O)CN(C)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000827237762 605268993 /nfs/dbraw/zinc/26/89/93/605268993.db2.gz ZSABXVLOMCPDJN-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC000833435667 605280441 /nfs/dbraw/zinc/28/04/41/605280441.db2.gz QUZQEWAVQNORAL-BDAKNGLRSA-N -1 0 302.327 -0.195 20 0 DBADRM COc1ccccc1N1C[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])CC1=O ZINC000738132372 605280867 /nfs/dbraw/zinc/28/08/67/605280867.db2.gz CWSIGBGHDRARRM-UWVGGRQHSA-N -1 0 322.317 -0.390 20 0 DBADRM CC(C)(C)C(=O)NCCCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000036976091 605283022 /nfs/dbraw/zinc/28/30/22/605283022.db2.gz LMHQNBZSXVFBLX-ZJUUUORDSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000833397588 605286378 /nfs/dbraw/zinc/28/63/78/605286378.db2.gz DVYMNNVCFKXUMZ-SCZZXKLOSA-N -1 0 302.327 -0.330 20 0 DBADRM CC[C@H](NC(=O)c1cc(C(=O)[O-])no1)C(=O)N1CCOCC1 ZINC000833643177 605286480 /nfs/dbraw/zinc/28/64/80/605286480.db2.gz NKTVQILVZYRVRV-QMMMGPOBSA-N -1 0 311.294 -0.260 20 0 DBADRM NC(=O)COCCNC(=O)c1csc(CNC(=O)[O-])n1 ZINC000831194342 605292218 /nfs/dbraw/zinc/29/22/18/605292218.db2.gz LLDKGWRFONNFQB-UHFFFAOYSA-N -1 0 302.312 -0.858 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC(n2ccnn2)CC1)C(=O)[O-] ZINC000833520276 605296525 /nfs/dbraw/zinc/29/65/25/605296525.db2.gz SGNBQZSLHBXZDK-SECBINFHSA-N -1 0 302.356 -0.035 20 0 DBADRM CCS(=O)(=O)CCN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O ZINC000827471829 605297276 /nfs/dbraw/zinc/29/72/76/605297276.db2.gz MPIWYGCTZMWNEK-LLVKDONJSA-N -1 0 319.339 -0.905 20 0 DBADRM CC(C)[C@H](NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)C(N)=O ZINC000824129691 605301211 /nfs/dbraw/zinc/30/12/11/605301211.db2.gz RPFBUNCEABVBRJ-ONGXEEELSA-N -1 0 301.343 -0.229 20 0 DBADRM CNC(=O)[C@@H]1CCCN(C(=O)CCOC2CN(C(=O)[O-])C2)C1 ZINC000833877658 605307809 /nfs/dbraw/zinc/30/78/09/605307809.db2.gz OAIIBCSENDXTSM-SNVBAGLBSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825016206 605308505 /nfs/dbraw/zinc/30/85/05/605308505.db2.gz NQCXJDNQWDBMKU-NXEZZACHSA-N -1 0 322.383 -0.305 20 0 DBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)N[C@H]1CCc2ncnn2C1 ZINC000831514127 605308539 /nfs/dbraw/zinc/30/85/39/605308539.db2.gz VPCDBOKXJZJPTO-QWRGUYRKSA-N -1 0 323.353 -0.132 20 0 DBADRM CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000833865987 605311562 /nfs/dbraw/zinc/31/15/62/605311562.db2.gz HASFXORGDYJGEP-GUBZILKMSA-N -1 0 323.353 -0.095 20 0 DBADRM O=C([O-])N1CC(OCCC(=O)N2CCN3C(=O)CC[C@@H]3C2)C1 ZINC000834071724 605312059 /nfs/dbraw/zinc/31/20/59/605312059.db2.gz AUTQHTBQTKLALN-SNVBAGLBSA-N -1 0 311.338 -0.412 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@H]2CCCO)C(=O)C1 ZINC000834112838 605312117 /nfs/dbraw/zinc/31/21/17/605312117.db2.gz GSBDTKKMDYKQGV-NSHDSACASA-N -1 0 313.354 -0.428 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@H]1C1CCOCC1 ZINC000834194161 605327645 /nfs/dbraw/zinc/32/76/45/605327645.db2.gz LIKACXNOVUHDIO-LLVKDONJSA-N -1 0 313.354 -0.212 20 0 DBADRM C[C@@H](Cc1noc(Cn2ccc(=O)[nH]c2=O)n1)N(C)C(=O)[O-] ZINC000825048621 605328598 /nfs/dbraw/zinc/32/85/98/605328598.db2.gz UDBPFTLUVVGEMF-ZETCQYMHSA-N -1 0 309.282 -0.079 20 0 DBADRM COc1ccc2c(c1)CCN2C(=O)CNC(=O)CNC(=O)[O-] ZINC000833890365 605339016 /nfs/dbraw/zinc/33/90/16/605339016.db2.gz KZTWYCZLHSTDBP-UHFFFAOYSA-N -1 0 307.306 -0.032 20 0 DBADRM CNC(=O)NC(=O)COC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000828552675 605342294 /nfs/dbraw/zinc/34/22/94/605342294.db2.gz WZKRGCLPDNACBX-QMMMGPOBSA-N -1 0 317.298 -0.856 20 0 DBADRM O=C([O-])N1CC[C@]2(C1)NC(=O)N(Cc1nnnn1C1CC1)C2=O ZINC000831974430 605342655 /nfs/dbraw/zinc/34/26/55/605342655.db2.gz OTHHOCSAWKZPDQ-GFCCVEGCSA-N -1 0 321.297 -0.818 20 0 DBADRM Cn1cc(C[C@H]2CCN(C(=O)CNC(=O)CNC(=O)[O-])C2)cn1 ZINC000833947196 605350704 /nfs/dbraw/zinc/35/07/04/605350704.db2.gz LYWUQBXBEMKTFT-SNVBAGLBSA-N -1 0 323.353 -0.805 20 0 DBADRM Cc1nccn1C[C@H]1CCCN1C(=O)CNC(=O)CNC(=O)[O-] ZINC000833918218 605350884 /nfs/dbraw/zinc/35/08/84/605350884.db2.gz MURJAFBBDVDFDR-LLVKDONJSA-N -1 0 323.353 -0.434 20 0 DBADRM CC(C)CNC(=O)CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O ZINC000824264526 605350971 /nfs/dbraw/zinc/35/09/71/605350971.db2.gz YSLAOPKDZNGZMD-ZDUSSCGKSA-N -1 0 312.326 -0.567 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(OCC2CC2)CC1 ZINC000834194337 605351085 /nfs/dbraw/zinc/35/10/85/605351085.db2.gz VZWGVCVRXLXHCD-UHFFFAOYSA-N -1 0 313.354 -0.212 20 0 DBADRM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[O-] ZINC000833919246 605351675 /nfs/dbraw/zinc/35/16/75/605351675.db2.gz IEQJWAKXIKOOGS-NSHDSACASA-N -1 0 323.353 -0.224 20 0 DBADRM Cn1cc(NC(=O)CNC(=O)CNC(=O)[O-])cc(Cl)c1=O ZINC000833951158 605351979 /nfs/dbraw/zinc/35/19/79/605351979.db2.gz PMSNGZNZRZWRQA-UHFFFAOYSA-N -1 0 316.701 -0.639 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000834196773 605352552 /nfs/dbraw/zinc/35/25/52/605352552.db2.gz NEQMUSFAGJCLLW-JTQLQIEISA-N -1 0 321.337 -0.840 20 0 DBADRM CN1C[C@@H](NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CCC1=O ZINC000828452900 605353133 /nfs/dbraw/zinc/35/31/33/605353133.db2.gz VTWMAKZBXFSOCN-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM COc1ccnc(N(C)CC(=O)N2CCN(C(=O)[O-])CC2)n1 ZINC000829649637 605354611 /nfs/dbraw/zinc/35/46/11/605354611.db2.gz KBVGYWHQDFKQJQ-UHFFFAOYSA-N -1 0 309.326 -0.256 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000825509053 605364849 /nfs/dbraw/zinc/36/48/49/605364849.db2.gz MDUTWOYNEMUSDP-HRDYMLBCSA-N -1 0 307.372 -0.429 20 0 DBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2CCc3n[nH]nc3C2)C1 ZINC000831998948 605369599 /nfs/dbraw/zinc/36/95/99/605369599.db2.gz XNICFHXABILDID-VIFPVBQESA-N -1 0 309.326 -0.152 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCC(=O)Nc1ccccc1 ZINC000834196806 605370031 /nfs/dbraw/zinc/37/00/31/605370031.db2.gz NXOPZEWVFSFZMT-UHFFFAOYSA-N -1 0 308.294 -0.875 20 0 DBADRM O=C([O-])N1CC(NS(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000834070169 605370242 /nfs/dbraw/zinc/37/02/42/605370242.db2.gz PBQXFXYGFJPGBI-UHFFFAOYSA-N -1 0 321.355 -0.978 20 0 DBADRM Cn1ncc(C(=O)NCCCN2CCN(C(=O)[O-])CC2)c1N ZINC000833958553 605370367 /nfs/dbraw/zinc/37/03/67/605370367.db2.gz KYRCHKJFLNMFDJ-UHFFFAOYSA-N -1 0 310.358 -0.582 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000819914855 605371241 /nfs/dbraw/zinc/37/12/41/605371241.db2.gz JGZSHQFGBGHKCO-VIFPVBQESA-N -1 0 302.327 -0.770 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000834195357 605374728 /nfs/dbraw/zinc/37/47/28/605374728.db2.gz SHCCRJQJUIWCFR-VIFPVBQESA-N -1 0 309.326 -0.501 20 0 DBADRM Cn1ncc(NC(=O)CNC(=O)CNC(=O)[O-])c1C(F)F ZINC000833962242 605375554 /nfs/dbraw/zinc/37/55/54/605375554.db2.gz QESOECGAVYKWSP-UHFFFAOYSA-N -1 0 305.241 -0.320 20 0 DBADRM CC(C)COC[C@@H](O)CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824275680 605377824 /nfs/dbraw/zinc/37/78/24/605377824.db2.gz IXZKWMOKMIPKMN-NWDGAFQWSA-N -1 0 318.370 -0.095 20 0 DBADRM CC(C)COC[C@H](O)CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824276962 605378148 /nfs/dbraw/zinc/37/81/48/605378148.db2.gz QZZJKYJSSZKQRL-MNOVXSKESA-N -1 0 304.343 -0.485 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NC[C@@H](O)COCC1CC1 ZINC000831381472 605380659 /nfs/dbraw/zinc/38/06/59/605380659.db2.gz KOTCUNDBCKEWSM-NEPJUHHUSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1nc2ccccc2[nH]1 ZINC000834198473 605381477 /nfs/dbraw/zinc/38/14/77/605381477.db2.gz JPOHLXFKJOJYMA-UHFFFAOYSA-N -1 0 305.294 -0.437 20 0 DBADRM NC(=O)[C@H](OC(=O)CNC(=O)CNC(=O)[O-])c1ccccc1 ZINC000833979115 605383186 /nfs/dbraw/zinc/38/31/86/605383186.db2.gz CYQAWDFYSSQYBI-LLVKDONJSA-N -1 0 309.278 -0.860 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OCc1cn2ccccc2n1 ZINC000834198712 605384394 /nfs/dbraw/zinc/38/43/94/605384394.db2.gz MKUVXIFDDSNZMY-UHFFFAOYSA-N -1 0 306.278 -0.239 20 0 DBADRM CN1CCC[C@H](NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C1=O ZINC000828481195 605384372 /nfs/dbraw/zinc/38/43/72/605384372.db2.gz MVEZURGWDBJFNO-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM CCS(=O)(=O)CCNC(=O)NC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833864053 605385181 /nfs/dbraw/zinc/38/51/81/605385181.db2.gz VOGINKGICYCYSG-VIFPVBQESA-N -1 0 307.372 -0.280 20 0 DBADRM Cn1cnc2cc(NC(=O)CNC(=O)CNC(=O)[O-])ccc21 ZINC000833959353 605385084 /nfs/dbraw/zinc/38/50/84/605385084.db2.gz SKPAYDTVIBIQDY-UHFFFAOYSA-N -1 0 305.294 -0.104 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN[C@]1(C(=O)[O-])CCOC1 ZINC000833433202 605386864 /nfs/dbraw/zinc/38/68/64/605386864.db2.gz GBZDAGGCZROFEN-CYBMUJFWSA-N -1 0 302.327 -0.722 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@H](O)c1ccccc1F ZINC000834197042 605388640 /nfs/dbraw/zinc/38/86/40/605388640.db2.gz OSHDKELBNTZURF-SNVBAGLBSA-N -1 0 313.285 -0.641 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccc(CO)c(F)c1 ZINC000834197000 605388837 /nfs/dbraw/zinc/38/88/37/605388837.db2.gz WCKRAQOCJGOAPV-UHFFFAOYSA-N -1 0 313.285 -0.682 20 0 DBADRM CCCN(CC(=O)NC)S(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC000737820853 605389280 /nfs/dbraw/zinc/38/92/80/605389280.db2.gz NHPQUULRHLOMSK-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM Cn1cc(CNS(=O)(=O)C2CCN(C(=O)[O-])CC2)cn1 ZINC000833947784 605391164 /nfs/dbraw/zinc/39/11/64/605391164.db2.gz YXTXYAXFATZRPY-UHFFFAOYSA-N -1 0 302.356 -0.018 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H](CCO)C1CCCCC1 ZINC000834196719 605391168 /nfs/dbraw/zinc/39/11/68/605391168.db2.gz MBQWHLUDTIOTLL-LLVKDONJSA-N -1 0 315.370 -0.182 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H](CCO)C1CCCCC1 ZINC000834196720 605391699 /nfs/dbraw/zinc/39/16/99/605391699.db2.gz MBQWHLUDTIOTLL-NSHDSACASA-N -1 0 315.370 -0.182 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCCCC12OCCO2 ZINC000834196483 605393330 /nfs/dbraw/zinc/39/33/30/605393330.db2.gz JOOAMCVSBDENIT-VIFPVBQESA-N -1 0 315.326 -0.828 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000833983225 605400135 /nfs/dbraw/zinc/40/01/35/605400135.db2.gz FQVQWWLFEUTVMZ-MRVPVSSYSA-N -1 0 319.281 -0.888 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000833983799 605400222 /nfs/dbraw/zinc/40/02/22/605400222.db2.gz KDWLDJONXVXPSJ-VIFPVBQESA-N -1 0 318.293 -0.283 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000834199288 605400451 /nfs/dbraw/zinc/40/04/51/605400451.db2.gz XFTBKJZIZQHQFV-UHFFFAOYSA-N -1 0 309.204 -0.249 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCCO1 ZINC000833894305 605400993 /nfs/dbraw/zinc/40/09/93/605400993.db2.gz JZCGNAQNIZGBDP-IUCAKERBSA-N -1 0 308.356 -0.648 20 0 DBADRM Cc1oc(C(=O)NOC[C@@H](C)NC(=O)[O-])cc1S(N)(=O)=O ZINC000833934439 605401246 /nfs/dbraw/zinc/40/12/46/605401246.db2.gz KJMQXWRPKZYWHG-RXMQYKEDSA-N -1 0 321.311 -0.447 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](O)COCC1CC1 ZINC000831622636 605403483 /nfs/dbraw/zinc/40/34/83/605403483.db2.gz YYXCHMYUQKVENP-OUAUKWLOSA-N -1 0 302.327 -0.997 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NC[C@@H](O)COCC1CC1 ZINC000831619716 605403808 /nfs/dbraw/zinc/40/38/08/605403808.db2.gz BJHMVJPSGSEOLE-ZJUUUORDSA-N -1 0 304.368 -0.057 20 0 DBADRM CS(=O)(=O)NCCC(=O)OC[C@H]1CCCN(C(=O)[O-])C1 ZINC000829688271 605404478 /nfs/dbraw/zinc/40/44/78/605404478.db2.gz QXWTXQYRISAQRK-VIFPVBQESA-N -1 0 308.356 -0.141 20 0 DBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NCC[C@H]1CCCO1 ZINC000833893659 605405996 /nfs/dbraw/zinc/40/59/96/605405996.db2.gz CNZWLTDFLLQBDE-NXEZZACHSA-N -1 0 322.383 -0.257 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCC1(NC(=O)[O-])CCC1 ZINC000833879920 605406930 /nfs/dbraw/zinc/40/69/30/605406930.db2.gz SSHISHSRMJDIAL-UHFFFAOYSA-N -1 0 323.371 -0.494 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NCC(F)(F)F ZINC000833896099 605407935 /nfs/dbraw/zinc/40/79/35/605407935.db2.gz ZTEVAWZRUAFVPW-YFKPBYRVSA-N -1 0 306.262 -0.264 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000834173198 605408293 /nfs/dbraw/zinc/40/82/93/605408293.db2.gz PQADNVRUSARQSH-GRYCIOLGSA-N -1 0 315.370 -0.768 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(Cn2nc3cnccn3c2=O)CCO1 ZINC000833820740 605408722 /nfs/dbraw/zinc/40/87/22/605408722.db2.gz SOYWBWFNUDUEFY-ZJUUUORDSA-N -1 0 322.325 -0.795 20 0 DBADRM COCCN(CCNC(=O)N[C@H]1CCN(C)C1=O)C(=O)[O-] ZINC000833885991 605413685 /nfs/dbraw/zinc/41/36/85/605413685.db2.gz NBLWDKLTSYNIJF-VIFPVBQESA-N -1 0 302.331 -0.857 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC2(COC(=O)N2)CC1)C(=O)[O-] ZINC000833520343 605416342 /nfs/dbraw/zinc/41/63/42/605416342.db2.gz TWTKATRQUXSATI-QMMMGPOBSA-N -1 0 306.340 -0.389 20 0 DBADRM Cn1c(Cl)cnc1COC(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833941737 605417062 /nfs/dbraw/zinc/41/70/62/605417062.db2.gz FGEWOTDBGWOOJT-RXMQYKEDSA-N -1 0 304.690 -0.372 20 0 DBADRM O=C([O-])N1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)CC1 ZINC000834112724 605419044 /nfs/dbraw/zinc/41/90/44/605419044.db2.gz CUVDHNRDJIIVQW-JTQLQIEISA-N -1 0 319.383 -0.041 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NCc1ccoc1 ZINC000833895241 605420057 /nfs/dbraw/zinc/42/00/57/605420057.db2.gz RRHNHVTUSOYWQF-VIFPVBQESA-N -1 0 304.324 -0.033 20 0 DBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NC[C@H]1CCCCO1 ZINC000833894684 605420074 /nfs/dbraw/zinc/42/00/74/605420074.db2.gz MZDJOMFTLFAZNY-NXEZZACHSA-N -1 0 322.383 -0.257 20 0 DBADRM COCCC(=O)N1CCC(NC(=O)[C@@H](C)NC(=O)[O-])CC1 ZINC000828930059 605430400 /nfs/dbraw/zinc/43/04/00/605430400.db2.gz NOPZABMGZVBDSY-SECBINFHSA-N -1 0 301.343 -0.214 20 0 DBADRM Cn1cccc1CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-] ZINC000833952647 605434837 /nfs/dbraw/zinc/43/48/37/605434837.db2.gz OFBFTYNINFJQQW-SNVBAGLBSA-N -1 0 317.367 -0.288 20 0 DBADRM C[C@@H](CC(=O)N1CCC(C(=O)NCCO)CC1)NC(=O)[O-] ZINC000824563938 605435348 /nfs/dbraw/zinc/43/53/48/605435348.db2.gz FDERGKILJKHZJQ-VIFPVBQESA-N -1 0 301.343 -0.620 20 0 DBADRM NC(=O)N1CC[C@@H](NC(=O)C[C@H]2CSCCN2C(=O)[O-])C1 ZINC000831199758 605435358 /nfs/dbraw/zinc/43/53/58/605435358.db2.gz IOGFPWRJBPSHEU-BDAKNGLRSA-N -1 0 316.383 -0.259 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCC(C(=O)NCCO)CC1 ZINC000823947618 605435378 /nfs/dbraw/zinc/43/53/78/605435378.db2.gz XGZYIRMKRDYQDW-UHFFFAOYSA-N -1 0 315.370 -0.373 20 0 DBADRM COCCN(CC(=O)N[C@H](CO)c1cnn(C)c1)C(=O)[O-] ZINC000833884435 605436465 /nfs/dbraw/zinc/43/64/65/605436465.db2.gz LOOOQWGEJSKVQP-SNVBAGLBSA-N -1 0 300.315 -0.804 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000833862929 605437574 /nfs/dbraw/zinc/43/75/74/605437574.db2.gz BXOQYHCDXZPHOP-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000833947912 605437639 /nfs/dbraw/zinc/43/76/39/605437639.db2.gz VVVQGERDWPPZPB-QWRGUYRKSA-N -1 0 312.326 -0.661 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000833947907 605437792 /nfs/dbraw/zinc/43/77/92/605437792.db2.gz VVVQGERDWPPZPB-GHMZBOCLSA-N -1 0 312.326 -0.661 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N[C@@H](CO)c2ccccc2)C(=O)C1 ZINC000834005707 605438809 /nfs/dbraw/zinc/43/88/09/605438809.db2.gz OOUSWMYZOMOMNK-LBPRGKRZSA-N -1 0 321.333 -0.342 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCCC[C@H]1O ZINC000833895159 605441757 /nfs/dbraw/zinc/44/17/57/605441757.db2.gz QIDSRVSIQQZOHC-KXUCPTDWSA-N -1 0 322.383 -0.523 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000831485650 605442314 /nfs/dbraw/zinc/44/23/14/605442314.db2.gz TWMLHMDVAZTSAV-VIFPVBQESA-N -1 0 321.337 -0.795 20 0 DBADRM CN(C)c1ccccc1CNC(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833871064 605443657 /nfs/dbraw/zinc/44/36/57/605443657.db2.gz KEFYLSLYNWJUQC-SNVBAGLBSA-N -1 0 308.338 -0.120 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N[C@H]1CCC(=O)NC1=O ZINC000826108342 605445962 /nfs/dbraw/zinc/44/59/62/605445962.db2.gz GADGCVNVSBCGLA-ACLDMZEESA-N -1 0 313.310 -0.589 20 0 DBADRM O=C([O-])N1CCC[C@H]1C(=O)N(CCO)CCN1CCOCC1 ZINC000831283295 605448126 /nfs/dbraw/zinc/44/81/26/605448126.db2.gz LYXXHYMEPAPHGE-LBPRGKRZSA-N -1 0 315.370 -0.718 20 0 DBADRM C[C@]1(CCCC(=O)N[C@H]2CCN(C(=O)[O-])C2)NC(=O)NC1=O ZINC000825744968 605449384 /nfs/dbraw/zinc/44/93/84/605449384.db2.gz SHIKABHOKZZAIZ-ISVAXAHUSA-N -1 0 312.326 -0.377 20 0 DBADRM CC(C)(CNC(=O)CCC[C@@]1(C)NC(=O)NC1=O)NC(=O)[O-] ZINC000823906620 605449527 /nfs/dbraw/zinc/44/95/27/605449527.db2.gz JBALRPJNHHBUIM-CYBMUJFWSA-N -1 0 314.342 -0.083 20 0 DBADRM CC(C)[C@@H](CNc1ccc(C(=O)NCCO)nn1)NC(=O)[O-] ZINC000824123013 605458196 /nfs/dbraw/zinc/45/81/96/605458196.db2.gz MBUSJZYEYWEAEW-SNVBAGLBSA-N -1 0 311.342 -0.097 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(c2ccc(C(=O)NCCO)nn2)C1 ZINC000832596474 605458529 /nfs/dbraw/zinc/45/85/29/605458529.db2.gz VQAWXCQMLSPMOQ-VIFPVBQESA-N -1 0 309.326 -0.707 20 0 DBADRM COCCN(CCNC(=O)NC1CN(C(=O)OC)C1)C(=O)[O-] ZINC000833885863 605458647 /nfs/dbraw/zinc/45/86/47/605458647.db2.gz MBUIFJQVMHOQBD-UHFFFAOYSA-N -1 0 318.330 -0.637 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CC[C@@H](NC(=O)[O-])C[C@H]2C)nn1 ZINC000825528263 605459059 /nfs/dbraw/zinc/45/90/59/605459059.db2.gz LKPUVOQEKJPGKC-KXUCPTDWSA-N -1 0 311.342 -0.022 20 0 DBADRM CNS(=O)(=O)CC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828572810 605466675 /nfs/dbraw/zinc/46/66/75/605466675.db2.gz IWLQEOLTHWLENB-VIFPVBQESA-N -1 0 305.356 -0.721 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)CC[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833986014 605467073 /nfs/dbraw/zinc/46/70/73/605467073.db2.gz FAEFYHGDJRHHFK-UWVGGRQHSA-N -1 0 319.383 -0.202 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)CC[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000833985949 605467234 /nfs/dbraw/zinc/46/72/34/605467234.db2.gz BYXAATDGUILGSX-ZJUUUORDSA-N -1 0 319.383 -0.344 20 0 DBADRM NC(=O)c1cnn2cc(CN3CCN(C(=O)[O-])CC3)cnc12 ZINC000833985978 605467576 /nfs/dbraw/zinc/46/75/76/605467576.db2.gz CXGSPRKJWJMEJF-UHFFFAOYSA-N -1 0 304.310 -0.376 20 0 DBADRM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC000833420563 605468855 /nfs/dbraw/zinc/46/88/55/605468855.db2.gz NYUCYESHNQPQLC-YUMQZZPRSA-N -1 0 304.368 -0.504 20 0 DBADRM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC000833437966 605468994 /nfs/dbraw/zinc/46/89/94/605468994.db2.gz KCVUVXJCXHQLEV-YUMQZZPRSA-N -1 0 320.367 -0.142 20 0 DBADRM O=C([O-])N1CC[C@H](CCC(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC000834289612 605477313 /nfs/dbraw/zinc/47/73/13/605477313.db2.gz MYXNSHMLCKECKW-XPTSAGLGSA-N -1 0 324.337 -0.423 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1c1ccc(C(=O)NCCO)nn1 ZINC000825846410 605486019 /nfs/dbraw/zinc/48/60/19/605486019.db2.gz UOTUOERHJWXNFQ-ZJUUUORDSA-N -1 0 323.353 -0.176 20 0 DBADRM Cn1cnc(C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)c1 ZINC000833953826 605490845 /nfs/dbraw/zinc/49/08/45/605490845.db2.gz CQJCLWZLCRTHDO-UHFFFAOYSA-N -1 0 320.313 -0.410 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NCCNS(C)(=O)=O)C1 ZINC000833817378 605503052 /nfs/dbraw/zinc/50/30/52/605503052.db2.gz OALVBAYLVUMQTO-DTWKUNHWSA-N -1 0 322.387 -0.777 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NCCNS(C)(=O)=O)C1 ZINC000833817379 605503169 /nfs/dbraw/zinc/50/31/69/605503169.db2.gz OALVBAYLVUMQTO-IUCAKERBSA-N -1 0 322.387 -0.777 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)C2CN(C(=O)[O-])C2)CC1 ZINC000833862881 605510829 /nfs/dbraw/zinc/51/08/29/605510829.db2.gz AMAYWECLRWLJJF-UHFFFAOYSA-N -1 0 319.383 -0.474 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)OCc2ccccc2C(=O)[O-])C1=O ZINC000833698321 605511633 /nfs/dbraw/zinc/51/16/33/605511633.db2.gz SCALWKIOIIPVLO-UHFFFAOYSA-N -1 0 320.257 -0.151 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)O[C@H]1CCCNC1=O ZINC000833797848 605512674 /nfs/dbraw/zinc/51/26/74/605512674.db2.gz GPZHCLAUMYTVHY-WPRPVWTQSA-N -1 0 315.326 -0.783 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CCN(S(=O)(=O)N2CCOCC2)C1 ZINC000833814787 605515123 /nfs/dbraw/zinc/51/51/23/605515123.db2.gz CSXGPHGXFZXAPR-VHSXEESVSA-N -1 0 307.372 -0.459 20 0 DBADRM NC(=O)CN1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833985556 605517879 /nfs/dbraw/zinc/51/78/79/605517879.db2.gz RCFBPRIMBBBEGS-MNOVXSKESA-N -1 0 312.370 -0.558 20 0 DBADRM O=C([O-])NCCNC(=O)NCCC1CCS(=O)(=O)CC1 ZINC000834243944 605518190 /nfs/dbraw/zinc/51/81/90/605518190.db2.gz XFOTZDRCVNCYLH-UHFFFAOYSA-N -1 0 307.372 -0.232 20 0 DBADRM COCCN(CCNC(=O)NCc1ncn(C)n1)C(=O)[O-] ZINC000833885810 605524043 /nfs/dbraw/zinc/52/40/43/605524043.db2.gz LBBBIUOOYOFQSY-UHFFFAOYSA-N -1 0 300.319 -0.759 20 0 DBADRM CC1(OCC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CCC1 ZINC000825766139 605529529 /nfs/dbraw/zinc/52/95/29/605529529.db2.gz JRQXBCUPJSQJSI-UHFFFAOYSA-N -1 0 313.354 -0.116 20 0 DBADRM Cn1cc(CN2CCN(C(=O)C3CN(C(=O)[O-])C3)CC2)cn1 ZINC000833949782 605531837 /nfs/dbraw/zinc/53/18/37/605531837.db2.gz WXMABXXUWSKHLT-UHFFFAOYSA-N -1 0 307.354 -0.326 20 0 DBADRM CC(=O)N[C@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)C(C)C ZINC000316280986 605532817 /nfs/dbraw/zinc/53/28/17/605532817.db2.gz XRLKNUVEDNZNNK-NSHDSACASA-N -1 0 309.326 -0.480 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3cnc4[nH]cnc4c3)C2)nn1 ZINC000833783940 605534808 /nfs/dbraw/zinc/53/48/08/605534808.db2.gz LSXORHOUBSDGKJ-UHFFFAOYSA-N -1 0 313.277 -0.055 20 0 DBADRM O=C([O-])Nc1ccc(CN2CC[C@]3(C2)NC(=O)NC3=O)cn1 ZINC000834260829 605537653 /nfs/dbraw/zinc/53/76/53/605537653.db2.gz YTRVYGSDCNOHEG-CYBMUJFWSA-N -1 0 305.294 -0.045 20 0 DBADRM CC(C)CCC(=O)NCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000780312288 605539174 /nfs/dbraw/zinc/53/91/74/605539174.db2.gz NDZWEKROWSVOBO-UHFFFAOYSA-N -1 0 323.353 -0.088 20 0 DBADRM O=C(CN(CC1CC1)C(=O)[O-])OCCN1CCCS1(=O)=O ZINC000831468119 605551644 /nfs/dbraw/zinc/55/16/44/605551644.db2.gz BPHLECSUTIRBIT-UHFFFAOYSA-N -1 0 320.367 -0.045 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCOC[C@H]2c2ncon2)C1 ZINC000834118017 605552140 /nfs/dbraw/zinc/55/21/40/605552140.db2.gz VURFWAVMOHQBTA-IUCAKERBSA-N -1 0 312.282 -0.652 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000833863330 605555110 /nfs/dbraw/zinc/55/51/10/605555110.db2.gz JTNPVNMMFILAIO-JTQLQIEISA-N -1 0 322.383 -0.352 20 0 DBADRM Cn1cc(N2CCN(C(=O)C3CN(C(=O)[O-])C3)CC2=O)cn1 ZINC000833950431 605560518 /nfs/dbraw/zinc/56/05/18/605560518.db2.gz NNUMKYDAARPBND-UHFFFAOYSA-N -1 0 307.310 -0.795 20 0 DBADRM O=C([O-])N1CC[C@@H](CNC(=O)CNC(=O)c2cccnc2)C1 ZINC000834004435 605581814 /nfs/dbraw/zinc/58/18/14/605581814.db2.gz AXYUTRPDPFUOHW-JTQLQIEISA-N -1 0 306.322 -0.073 20 0 DBADRM O=C([O-])N1CC[C@H](CNC(=O)CNC(=O)c2ccncc2)C1 ZINC000834004449 605581966 /nfs/dbraw/zinc/58/19/66/605581966.db2.gz BDZKYPCFIMILIB-SNVBAGLBSA-N -1 0 306.322 -0.073 20 0 DBADRM CN(C)C(=O)CN(C)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000827961254 605586640 /nfs/dbraw/zinc/58/66/40/605586640.db2.gz SDGROLNFOKCYEN-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM O=C(C[C@@H]1CSCCN1C(=O)[O-])N[C@H]1CCS(=O)(=O)C1 ZINC000831408788 605586798 /nfs/dbraw/zinc/58/67/98/605586798.db2.gz PKGGCKMLVWXOFF-DTWKUNHWSA-N -1 0 322.408 -0.225 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000823843683 605590890 /nfs/dbraw/zinc/59/08/90/605590890.db2.gz NMRHOMKXQUOPOL-SECBINFHSA-N -1 0 321.399 -0.228 20 0 DBADRM CN(CC(C)(CO)CO)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000833692327 605607972 /nfs/dbraw/zinc/60/79/72/605607972.db2.gz OAOWHRYSPFVCOS-UHFFFAOYSA-N -1 0 317.363 -0.004 20 0 DBADRM CNC(=O)COc1cccc(CC(=O)NCCNC(=O)[O-])c1 ZINC000828541199 605624981 /nfs/dbraw/zinc/62/49/81/605624981.db2.gz CUPNDCHOWWGFRE-UHFFFAOYSA-N -1 0 309.322 -0.262 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)COC1CN(C(=O)[O-])C1 ZINC000833860105 605625131 /nfs/dbraw/zinc/62/51/31/605625131.db2.gz LRDYEYNMEILNDL-UHFFFAOYSA-N -1 0 301.343 -0.356 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC2CN(C(=O)[O-])C2)cn1 ZINC000833880256 605626540 /nfs/dbraw/zinc/62/65/40/605626540.db2.gz FLGBCORYVGGTJC-UHFFFAOYSA-N -1 0 315.307 -0.491 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCCC[C@@H]2CCO)C(=O)C1 ZINC000834113335 605626604 /nfs/dbraw/zinc/62/66/04/605626604.db2.gz QAEXISQMKQEGNH-LLVKDONJSA-N -1 0 313.354 -0.428 20 0 DBADRM NS(=O)(=O)CCNC(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833986381 605627859 /nfs/dbraw/zinc/62/78/59/605627859.db2.gz PZTIGTSYJWRFNN-SNVBAGLBSA-N -1 0 315.351 -0.210 20 0 DBADRM O=C([O-])N[C@@H](CC(=O)NC[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834124273 605628657 /nfs/dbraw/zinc/62/86/57/605628657.db2.gz DMLXRKQRSMMGBE-WPRPVWTQSA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])N[C@H](CC(=O)NC[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834124272 605628945 /nfs/dbraw/zinc/62/89/45/605628945.db2.gz DMLXRKQRSMMGBE-WCBMZHEXSA-N -1 0 304.368 -0.026 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CCN(C(=O)[O-])C[C@@H]2C)C1=O ZINC000739809722 605628949 /nfs/dbraw/zinc/62/89/49/605628949.db2.gz GKAUEDOUAXHRFH-TVQRCGJNSA-N -1 0 314.342 -0.415 20 0 DBADRM COC(=O)C(C)(C)NC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000828602067 605629247 /nfs/dbraw/zinc/62/92/47/605629247.db2.gz UALKKKVTRXNOKP-UHFFFAOYSA-N -1 0 301.343 -0.214 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000828670053 605631015 /nfs/dbraw/zinc/63/10/15/605631015.db2.gz BFVMJFAWNVKTDZ-SECBINFHSA-N -1 0 323.371 -0.590 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CCO1 ZINC000831178695 605633041 /nfs/dbraw/zinc/63/30/41/605633041.db2.gz LFNXBFAESQNHPR-IUCAKERBSA-N -1 0 317.367 -0.815 20 0 DBADRM CN1C[C@@H](NC(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1=O ZINC000828451711 605634928 /nfs/dbraw/zinc/63/49/28/605634928.db2.gz IGYJSQUCRHLGQJ-DTWKUNHWSA-N -1 0 301.368 -0.181 20 0 DBADRM Cn1nccc1NC(=O)C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000833963141 605635327 /nfs/dbraw/zinc/63/53/27/605635327.db2.gz KNLVSERJNYATLE-VIFPVBQESA-N -1 0 309.326 -0.135 20 0 DBADRM C[C@@H]1CN(C(=O)NCCNC(=O)c2ccn[nH]2)C[C@@H]1C(=O)[O-] ZINC000833620402 605637013 /nfs/dbraw/zinc/63/70/13/605637013.db2.gz FXLPYQMSSLLGTB-BDAKNGLRSA-N -1 0 309.326 -0.498 20 0 DBADRM C[C@]1(C(=O)OCCN2CCOCC2=O)CCN(C(=O)[O-])C1 ZINC000833823259 605640160 /nfs/dbraw/zinc/64/01/60/605640160.db2.gz XWWBZVUYIJCGRF-ZDUSSCGKSA-N -1 0 300.311 -0.222 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)C1CN(C(=O)[O-])C1 ZINC000833863008 605640166 /nfs/dbraw/zinc/64/01/66/605640166.db2.gz DXYXHCISKHTWLJ-UHFFFAOYSA-N -1 0 307.372 -0.616 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)OCCN2CCOCC2=O)C1 ZINC000834163078 605641884 /nfs/dbraw/zinc/64/18/84/605641884.db2.gz GEYWFZDXUCJLAV-NXEZZACHSA-N -1 0 300.311 -0.175 20 0 DBADRM CN(CCN(C)C(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000833872410 605644207 /nfs/dbraw/zinc/64/42/07/605644207.db2.gz IIKJSNUOIXXVTA-UHFFFAOYSA-N -1 0 316.339 -0.589 20 0 DBADRM Cn1cc(CN2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)nn1 ZINC000833948194 605646759 /nfs/dbraw/zinc/64/67/59/605646759.db2.gz GZVZADCMGYUVMS-SNVBAGLBSA-N -1 0 310.358 -0.589 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000739515511 605651782 /nfs/dbraw/zinc/65/17/82/605651782.db2.gz MKNRCJFFBSVHNN-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CN2CCCC2=O)[C@H](C(=O)[O-])C1 ZINC000833708876 605657112 /nfs/dbraw/zinc/65/71/12/605657112.db2.gz KHCUQBMIWYHZBB-UWVGGRQHSA-N -1 0 312.322 -0.526 20 0 DBADRM O=C([O-])N1CCC[C@H](CNC(=O)NCC2(CO)COC2)C1 ZINC000834030445 605659342 /nfs/dbraw/zinc/65/93/42/605659342.db2.gz QSKZMDJGCFRUIL-SNVBAGLBSA-N -1 0 301.343 -0.316 20 0 DBADRM NC(=O)Cn1ccc(NC(=O)CN2CCC(NC(=O)[O-])CC2)n1 ZINC000831200101 605662155 /nfs/dbraw/zinc/66/21/55/605662155.db2.gz SNYMHYZRPXSYFR-UHFFFAOYSA-N -1 0 324.341 -0.961 20 0 DBADRM O=C([O-])N1CCSC[C@H]1CC(=O)NCC1(CO)COC1 ZINC000833988997 605662668 /nfs/dbraw/zinc/66/26/68/605662668.db2.gz RXQPNKHJSXFLOU-SECBINFHSA-N -1 0 304.368 -0.403 20 0 DBADRM O=C([O-])NCc1nc(C(=O)NCC2(CO)COC2)cs1 ZINC000834248669 605663562 /nfs/dbraw/zinc/66/35/62/605663562.db2.gz IASXDMYKMFMUJS-UHFFFAOYSA-N -1 0 301.324 -0.351 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N[C@H]2CC[C@@H](CO)CC2)C(=O)C1 ZINC000834004845 605664579 /nfs/dbraw/zinc/66/45/79/605664579.db2.gz JAUSZPAPFNMOMS-PHIMTYICSA-N -1 0 313.354 -0.524 20 0 DBADRM CN(C)C(=O)CCCNC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000827952801 605665882 /nfs/dbraw/zinc/66/58/82/605665882.db2.gz BKGAZGUQDRDDGW-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1cn2ccsc2n1 ZINC000833982317 605667497 /nfs/dbraw/zinc/66/74/97/605667497.db2.gz LKAGFMQEQCSMCR-ZETCQYMHSA-N -1 0 311.323 -0.476 20 0 DBADRM NC(=O)[C@@H]1COCCN1C(=O)c1ccc(NC(=O)[O-])cc1O ZINC000833981661 605669045 /nfs/dbraw/zinc/66/90/45/605669045.db2.gz WRZOWYAHRBBCME-VIFPVBQESA-N -1 0 309.278 -0.192 20 0 DBADRM NC(=O)[C@H]1COCCN1C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000833979227 605669053 /nfs/dbraw/zinc/66/90/53/605669053.db2.gz DFNJQLXDOOIBBR-LLVKDONJSA-N -1 0 307.306 -0.220 20 0 DBADRM NC(=O)[C@@H]1COCCN1C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000833979229 605669084 /nfs/dbraw/zinc/66/90/84/605669084.db2.gz DFNJQLXDOOIBBR-NSHDSACASA-N -1 0 307.306 -0.220 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000833982899 605670096 /nfs/dbraw/zinc/67/00/96/605670096.db2.gz PUQRPYMIMWWSCO-SECBINFHSA-N -1 0 323.284 -0.170 20 0 DBADRM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1 ZINC000833530505 605671974 /nfs/dbraw/zinc/67/19/74/605671974.db2.gz VERFSZQRSMTDEB-BDAKNGLRSA-N -1 0 309.322 -0.109 20 0 DBADRM CCS(=O)(=O)NCCN1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC000833666232 605680847 /nfs/dbraw/zinc/68/08/47/605680847.db2.gz YBQXBIMXZOZVFF-ZJUUUORDSA-N -1 0 322.383 -0.736 20 0 DBADRM CCS(=O)(=O)NCCN1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC000833666230 605681011 /nfs/dbraw/zinc/68/10/11/605681011.db2.gz YBQXBIMXZOZVFF-VHSXEESVSA-N -1 0 322.383 -0.736 20 0 DBADRM CN(CCCNC(=O)[C@@]1(C)CCCN1C(=O)[O-])S(C)(=O)=O ZINC000833873161 605682276 /nfs/dbraw/zinc/68/22/76/605682276.db2.gz RLOHXFBAMLKQDV-GFCCVEGCSA-N -1 0 321.399 -0.083 20 0 DBADRM CC[C@@](C)(CNC(=O)[O-])C(=O)NCCNS(=O)(=O)CC ZINC000833841560 605682574 /nfs/dbraw/zinc/68/25/74/605682574.db2.gz PZZCUGTWBJILEE-NSHDSACASA-N -1 0 309.388 -0.274 20 0 DBADRM CCNC(=O)NC(=O)CN1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC000833658241 605686742 /nfs/dbraw/zinc/68/67/42/605686742.db2.gz YCHHOOQPNGLJFH-RKDXNWHRSA-N -1 0 315.326 -0.830 20 0 DBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000833840653 605690404 /nfs/dbraw/zinc/69/04/04/605690404.db2.gz MLVHNWVTXUQSDQ-GFCCVEGCSA-N -1 0 321.399 -0.178 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000833480441 605699374 /nfs/dbraw/zinc/69/93/74/605699374.db2.gz HKAAPYIOZCKDHH-VIFPVBQESA-N -1 0 324.341 -0.557 20 0 DBADRM O=C([O-])N(CC(=O)N1CC(n2ccnn2)C1)C[C@@H]1CCCO1 ZINC000834069800 605700069 /nfs/dbraw/zinc/70/00/69/605700069.db2.gz XUHDNCPQTWFLTL-NSHDSACASA-N -1 0 309.326 -0.180 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC000834289266 605704293 /nfs/dbraw/zinc/70/42/93/605704293.db2.gz KPVLOKMNKIBXKF-MRVPVSSYSA-N -1 0 306.278 -0.105 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC000834185504 605707752 /nfs/dbraw/zinc/70/77/52/605707752.db2.gz ZKXLZZPQZJHZBK-QMMMGPOBSA-N -1 0 306.278 -0.105 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000736418004 605708487 /nfs/dbraw/zinc/70/84/87/605708487.db2.gz ZSOVTZFIBVOYBK-VIFPVBQESA-N -1 0 314.342 -0.273 20 0 DBADRM NC(=O)c1cc(CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)on1 ZINC000831215412 605713996 /nfs/dbraw/zinc/71/39/96/605713996.db2.gz KUMWNBSHXBSMLZ-LLVKDONJSA-N -1 0 300.246 -0.518 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)[C@H]1COCCN1C(=O)[O-] ZINC000828656768 605719692 /nfs/dbraw/zinc/71/96/92/605719692.db2.gz YPJRFNHBLUCKCU-VHSXEESVSA-N -1 0 300.311 -0.081 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NCCN1C(=O)CNC1=O ZINC000736417571 605720690 /nfs/dbraw/zinc/72/06/90/605720690.db2.gz WEAYWBVJZLWLMP-QMMMGPOBSA-N -1 0 300.315 -0.663 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNc2nccn3cnnc23)CC1 ZINC000834114572 605722269 /nfs/dbraw/zinc/72/22/69/605722269.db2.gz DKMMOABWTQUEOO-UHFFFAOYSA-N -1 0 305.298 -0.642 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H](CO)c1ccc(F)cc1 ZINC000834196227 605722941 /nfs/dbraw/zinc/72/29/41/605722941.db2.gz JALPAJLNYRWUBT-JTQLQIEISA-N -1 0 313.285 -0.641 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NC1CCC(C(=O)NC(N)=O)CC1 ZINC000825176903 605723143 /nfs/dbraw/zinc/72/31/43/605723143.db2.gz DAKRVVYNMMNMNR-KKMMWDRVSA-N -1 0 300.315 -0.488 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000823839161 605727572 /nfs/dbraw/zinc/72/75/72/605727572.db2.gz NXKFJMMZZWGPMY-DTWKUNHWSA-N -1 0 321.399 -0.181 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CN1CCC(=O)NC1=O ZINC000825809743 605729247 /nfs/dbraw/zinc/72/92/47/605729247.db2.gz QIJSCEPHILWYQF-IUCAKERBSA-N -1 0 312.326 -0.425 20 0 DBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000825818518 605733719 /nfs/dbraw/zinc/73/37/19/605733719.db2.gz YWVNISRODGWLRJ-DTWKUNHWSA-N -1 0 310.310 -0.404 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)NCC1CN(C(=O)[O-])C1)CC2 ZINC000833915356 605737802 /nfs/dbraw/zinc/73/78/02/605737802.db2.gz NEGYRPLZWFWTBW-SNVBAGLBSA-N -1 0 308.342 -0.190 20 0 DBADRM COC[C@@H]1CN(C(=O)CN2CCC(NC(=O)[O-])CC2)CCO1 ZINC000828930102 605738642 /nfs/dbraw/zinc/73/86/42/605738642.db2.gz OZNYNRGAPRUGEF-LBPRGKRZSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CN1C(=O)CN(C)C1=O ZINC000825809709 605738901 /nfs/dbraw/zinc/73/89/01/605738901.db2.gz QCGQEPDJSCJKLX-BDAKNGLRSA-N -1 0 312.326 -0.473 20 0 DBADRM Cn1ncc2c1CCC[C@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833960957 605751455 /nfs/dbraw/zinc/75/14/55/605751455.db2.gz HQZLNLUBXMDRCM-BDAKNGLRSA-N -1 0 309.326 -0.575 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1cccc2c1OCO2 ZINC000833981441 605753156 /nfs/dbraw/zinc/75/31/56/605753156.db2.gz FEFWJEQMWMCTSA-QMMMGPOBSA-N -1 0 309.278 -0.457 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccc(Cl)nc1 ZINC000833981063 605753276 /nfs/dbraw/zinc/75/32/76/605753276.db2.gz CBBSQCCLRQREKF-ZETCQYMHSA-N -1 0 300.702 -0.137 20 0 DBADRM Cn1nnnc1SCCC(=O)NCC1CN(C(=O)[O-])C1 ZINC000833960690 605754363 /nfs/dbraw/zinc/75/43/63/605754363.db2.gz LSYLUHIHGGJGKO-UHFFFAOYSA-N -1 0 300.344 -0.582 20 0 DBADRM CC[C@]1(C(=O)NCCNS(C)(=O)=O)CCCN1C(=O)[O-] ZINC000833845374 605756156 /nfs/dbraw/zinc/75/61/56/605756156.db2.gz YWFXEFBQBGQUCU-LLVKDONJSA-N -1 0 307.372 -0.426 20 0 DBADRM Cn1cc([C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])C2)cn1 ZINC000833946533 605758249 /nfs/dbraw/zinc/75/82/49/605758249.db2.gz HMEBIVCETXGFNG-SCZZXKLOSA-N -1 0 309.326 -0.752 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CCC(Cn2cccn2)CC1 ZINC000833979763 605760028 /nfs/dbraw/zinc/76/00/28/605760028.db2.gz HQYLKGNQZZZMCX-LLVKDONJSA-N -1 0 323.353 -0.367 20 0 DBADRM Cc1noc(C)c1C[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833926891 605760221 /nfs/dbraw/zinc/76/02/21/605760221.db2.gz ADWUPKWDQGTXMM-LDWIPMOCSA-N -1 0 312.326 -0.150 20 0 DBADRM Cn1cc(C[C@H]2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])C2)cn1 ZINC000833945881 605761638 /nfs/dbraw/zinc/76/16/38/605761638.db2.gz CEHUVSPZKJUBGH-MWLCHTKSSA-N -1 0 323.353 -0.677 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000825815703 605766968 /nfs/dbraw/zinc/76/69/68/605766968.db2.gz DTSFYFXAPKIARL-ZJUUUORDSA-N -1 0 324.337 -0.806 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2cccnc2=O)[C@@H](C(=O)[O-])C1 ZINC000833707638 605771919 /nfs/dbraw/zinc/77/19/19/605771919.db2.gz GWYFPWUCSKTGLC-NXEZZACHSA-N -1 0 323.305 -0.892 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cn2ccccc2=O)[C@H](C(=O)[O-])C1 ZINC000833710369 605772342 /nfs/dbraw/zinc/77/23/42/605772342.db2.gz PGXKTASRJQPCCO-QWRGUYRKSA-N -1 0 322.317 -0.287 20 0 DBADRM O=C([O-])N1CC[C@H](N(CC(=O)N2CCNC(=O)C2)C2CC2)C1 ZINC000834290572 605773879 /nfs/dbraw/zinc/77/38/79/605773879.db2.gz WCYRWMBYZMFOJR-NSHDSACASA-N -1 0 310.354 -0.839 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000834051753 605775348 /nfs/dbraw/zinc/77/53/48/605775348.db2.gz LTZWYYDOWPVISQ-JHEVNIALSA-N -1 0 306.318 -0.126 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NC[C@H](CO)c1ccccc1 ZINC000831616196 605777161 /nfs/dbraw/zinc/77/71/61/605777161.db2.gz PTHUMDSJKJCEIM-AGIUHOORSA-N -1 0 308.334 -0.008 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)NCc1cc(C(N)=O)no1 ZINC000829730927 605782029 /nfs/dbraw/zinc/78/20/29/605782029.db2.gz PBPUDDFUYDZCMT-ZETCQYMHSA-N -1 0 316.339 -0.221 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NCCCN(C)S(C)(=O)=O ZINC000833806630 605790385 /nfs/dbraw/zinc/79/03/85/605790385.db2.gz FOHMMBZXMOQFMM-SECBINFHSA-N -1 0 324.403 -0.529 20 0 DBADRM Cn1nnnc1CCNC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000833961056 605793188 /nfs/dbraw/zinc/79/31/88/605793188.db2.gz PHHCBRZWAPRNPW-IUCAKERBSA-N -1 0 311.346 -0.512 20 0 DBADRM O=C([O-])N1CC[C@H](N(C(=O)Cn2cccnc2=O)C2CC2)C1 ZINC000831923105 605800604 /nfs/dbraw/zinc/80/06/04/605800604.db2.gz XFXDKLCDOZKIRO-NSHDSACASA-N -1 0 306.322 -0.013 20 0 DBADRM COCCc1cc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])n(C)n1 ZINC000829024108 605803868 /nfs/dbraw/zinc/80/38/68/605803868.db2.gz KBOSCGPMCNLFIS-NXEZZACHSA-N -1 0 312.326 -0.339 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CC(=O)N2CCN(C)CC2)CCO1 ZINC000833820722 605804922 /nfs/dbraw/zinc/80/49/22/605804922.db2.gz SJSAGJVMWNYNKH-VXGBXAGGSA-N -1 0 314.386 -0.883 20 0 DBADRM O=C([O-])NCCC(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000832594537 605809019 /nfs/dbraw/zinc/80/90/19/605809019.db2.gz GAMYSAOOEDMDFF-UHFFFAOYSA-N -1 0 301.343 -0.619 20 0 DBADRM O=C(C[C@@H]1CSCCN1C(=O)[O-])NCCCOCCO ZINC000833989699 605813560 /nfs/dbraw/zinc/81/35/60/605813560.db2.gz ZNMLEYMLAUTYRC-SNVBAGLBSA-N -1 0 306.384 -0.013 20 0 DBADRM COC(=O)CCNC(=O)CN1C[C@H](C)N(C(=O)[O-])C[C@@H]1C ZINC000833879275 605814756 /nfs/dbraw/zinc/81/47/56/605814756.db2.gz NWFGEKVLATXFAW-UWVGGRQHSA-N -1 0 301.343 -0.262 20 0 DBADRM CCS(=O)(=O)CCNC(=O)NC[C@H](NC(=O)[O-])C1CC1 ZINC000833863253 605816820 /nfs/dbraw/zinc/81/68/20/605816820.db2.gz JBDYSMIHYWVTJL-VIFPVBQESA-N -1 0 307.372 -0.234 20 0 DBADRM O=C([O-])NCCCNC(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000834237559 605818806 /nfs/dbraw/zinc/81/88/06/605818806.db2.gz HRHPZDAPPISCGV-VIFPVBQESA-N -1 0 300.315 -0.120 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)NCCN1C(=O)CCC1=O)C1CC1 ZINC000834149044 605820290 /nfs/dbraw/zinc/82/02/90/605820290.db2.gz ZRUDQDNYCAIKFZ-SECBINFHSA-N -1 0 312.326 -0.519 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NC[C@]1(CCO)CCOC1 ZINC000833807121 605823268 /nfs/dbraw/zinc/82/32/68/605823268.db2.gz HSGQENWETMSRJS-MFKMUULPSA-N -1 0 303.359 -0.022 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@H](NC(=O)[O-])C2CC2)O1 ZINC000833980860 605823808 /nfs/dbraw/zinc/82/38/08/605823808.db2.gz NFBJJZLEWCQUGY-GUBZILKMSA-N -1 0 314.342 -0.635 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCc3nc[nH]c(=O)c3C2)C1 ZINC000834117185 605832932 /nfs/dbraw/zinc/83/29/32/605832932.db2.gz QDDYDEZXXBCOOS-SNVBAGLBSA-N -1 0 308.294 -0.554 20 0 DBADRM O=C([O-])N1CCC2(C[C@H]2C(=O)NC[C@H]2CN3CCN2CC3)CC1 ZINC000834035913 605852536 /nfs/dbraw/zinc/85/25/36/605852536.db2.gz AFSRTFHEYYVAMD-STQMWFEESA-N -1 0 322.409 -0.118 20 0 DBADRM O=C([O-])NCCCNC(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000834237700 605857262 /nfs/dbraw/zinc/85/72/62/605857262.db2.gz JIWNQOVBJYMEKH-UHFFFAOYSA-N -1 0 309.322 -0.175 20 0 DBADRM O=C([O-])N(CC(=O)OCC1(CO)COC1)C[C@H]1CCCO1 ZINC000834006967 605857575 /nfs/dbraw/zinc/85/75/75/605857575.db2.gz HLCGAQUTHLZVMA-SNVBAGLBSA-N -1 0 303.311 -0.303 20 0 DBADRM O=C(CC[C@H]1CCN(C(=O)[O-])C1)NCCN1CCNC(=O)C1 ZINC000833989832 605860620 /nfs/dbraw/zinc/86/06/20/605860620.db2.gz JROWAUVANNYPPC-NSHDSACASA-N -1 0 312.370 -0.686 20 0 DBADRM Cn1cc(C(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000830989527 605865705 /nfs/dbraw/zinc/86/57/05/605865705.db2.gz PPZVPRGDCMJVEL-VIFPVBQESA-N -1 0 322.321 -0.157 20 0 DBADRM O=C([O-])NCCNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000834243888 605870005 /nfs/dbraw/zinc/87/00/05/605870005.db2.gz QPJQIQCKTUHUPT-MRVPVSSYSA-N -1 0 304.328 -0.610 20 0 DBADRM O=C([O-])N1CC(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC000834070122 605870901 /nfs/dbraw/zinc/87/09/01/605870901.db2.gz NUNHOIWPQQHCOY-VIFPVBQESA-N -1 0 316.339 -0.515 20 0 DBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCO[C@H](CO)C2)C1 ZINC000831997726 605877007 /nfs/dbraw/zinc/87/70/07/605877007.db2.gz PJTVGVNSQMKONS-MNOVXSKESA-N -1 0 302.327 -0.635 20 0 DBADRM O=C([O-])N(CC(=O)N1CCO[C@@H](CO)C1)C[C@@H]1CCCO1 ZINC000831821125 605877366 /nfs/dbraw/zinc/87/73/66/605877366.db2.gz OVKSJDCIKGVGSZ-WDEREUQCSA-N -1 0 302.327 -0.635 20 0 DBADRM CCN(CC(=O)N1CCCC[C@H]1CS(N)(=O)=O)C(=O)[O-] ZINC000826996866 605880872 /nfs/dbraw/zinc/88/08/72/605880872.db2.gz NBVGBIWMSFKUOL-VIFPVBQESA-N -1 0 307.372 -0.344 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCCN1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000831244866 605881272 /nfs/dbraw/zinc/88/12/72/605881272.db2.gz DCMVWVKJLAHFMB-VHSXEESVSA-N -1 0 319.383 -0.344 20 0 DBADRM CC(C)(CNC(=O)C(=O)Nc1ccccc1C(=O)[O-])C(N)=O ZINC000819948416 605890064 /nfs/dbraw/zinc/89/00/64/605890064.db2.gz VAWUDSYTFANAES-UHFFFAOYSA-N -1 0 307.306 -0.049 20 0 DBADRM NC(=O)C1(CNC(=O)CCCCNC(=O)[O-])CCOCC1 ZINC000833980530 605890628 /nfs/dbraw/zinc/89/06/28/605890628.db2.gz KNEMQNOWVHYGSY-UHFFFAOYSA-N -1 0 301.343 -0.177 20 0 DBADRM CC(C)CN1C(=O)C(=O)N(CN2CC[C@H](NC(=O)[O-])C2)C1=O ZINC000738821790 605900145 /nfs/dbraw/zinc/90/01/45/605900145.db2.gz UAZGGRBTXLEUAE-VIFPVBQESA-N -1 0 312.326 -0.267 20 0 DBADRM O=C([O-])N[C@H]1CCN(Cn2nnn(-c3ccccc3)c2=O)C1 ZINC000740597333 605901396 /nfs/dbraw/zinc/90/13/96/605901396.db2.gz APQDPFFFMDGOGT-JTQLQIEISA-N -1 0 304.310 -0.272 20 0 DBADRM NC(=O)CN1CCN(C(=O)[C@@H]2CC23CCN(C(=O)[O-])CC3)CC1 ZINC000833984522 605901766 /nfs/dbraw/zinc/90/17/66/605901766.db2.gz FIGGPFAEROARAJ-NSHDSACASA-N -1 0 324.381 -0.604 20 0 DBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000834240104 605903335 /nfs/dbraw/zinc/90/33/35/605903335.db2.gz ITDGTFQBSILNQJ-QWRGUYRKSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000834196313 605903479 /nfs/dbraw/zinc/90/34/79/605903479.db2.gz MFCKGDOIESMGLV-VIFPVBQESA-N -1 0 315.326 -0.828 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)[C@H]2CC23CCN(C(=O)[O-])CC3)CCO1 ZINC000833980483 605903895 /nfs/dbraw/zinc/90/38/95/605903895.db2.gz MUFKIMVPUCVHAC-ZJUUUORDSA-N -1 0 311.338 -0.521 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NC2CCN(C(=O)[O-])CC2)CCO1 ZINC000833877372 605909415 /nfs/dbraw/zinc/90/94/15/605909415.db2.gz MPCVHJLNZUURHL-SNVBAGLBSA-N -1 0 314.342 -0.715 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NCCCN(C)C(=O)[O-])CCO1 ZINC000833877514 605910518 /nfs/dbraw/zinc/91/05/18/605910518.db2.gz NLIGNEPOLYWFDZ-SECBINFHSA-N -1 0 302.331 -0.857 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000833875987 605910548 /nfs/dbraw/zinc/91/05/48/605910548.db2.gz CTUVEZRZGDWZKF-NXEZZACHSA-N -1 0 314.342 -0.715 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000833874917 605910561 /nfs/dbraw/zinc/91/05/61/605910561.db2.gz CTUVEZRZGDWZKF-UWVGGRQHSA-N -1 0 314.342 -0.715 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)C[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834141223 605911406 /nfs/dbraw/zinc/91/14/06/605911406.db2.gz VDKJTFONGLQKKH-PSASIEDQSA-N -1 0 304.368 -0.026 20 0 DBADRM NC(=O)COCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)[O-] ZINC000833985782 605912436 /nfs/dbraw/zinc/91/24/36/605912436.db2.gz WATURLWIHTZRNM-MXWKQRLJSA-N -1 0 313.354 -0.084 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CC[C@H](NC(=O)[O-])C1 ZINC000739808445 605915686 /nfs/dbraw/zinc/91/56/86/605915686.db2.gz SJRVWTCAQBKUGN-IUCAKERBSA-N -1 0 302.331 -0.811 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NC[C@H](NC(=O)[O-])C(C)C)CCO1 ZINC000833876085 605916541 /nfs/dbraw/zinc/91/65/41/605916541.db2.gz DVCPCGPQIGZFGL-UWVGGRQHSA-N -1 0 316.358 -0.565 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC[C@@H](NC(=O)[O-])C2)ccc1=O ZINC000833951274 605920494 /nfs/dbraw/zinc/92/04/94/605920494.db2.gz SNZFMNSQWPCJBR-SECBINFHSA-N -1 0 322.321 -0.418 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@H]2CCCN2C(=O)[O-])ccc1=O ZINC000833949147 605920580 /nfs/dbraw/zinc/92/05/80/605920580.db2.gz GSEIXULMHQONNI-SNVBAGLBSA-N -1 0 322.321 -0.418 20 0 DBADRM O=C([O-])NCCOc1cccc(NC(=O)NC[C@H](O)CO)c1 ZINC000834244593 605921712 /nfs/dbraw/zinc/92/17/12/605921712.db2.gz BCVWWVYZKMUTNT-JTQLQIEISA-N -1 0 313.310 -0.192 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@@H](CNC(=O)[O-])C2CC2)ccc1=O ZINC000833951382 605922619 /nfs/dbraw/zinc/92/26/19/605922619.db2.gz UPROHNGYXBRTKL-JTQLQIEISA-N -1 0 322.321 -0.514 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)CCCCNC(=O)[O-] ZINC000833985938 605922657 /nfs/dbraw/zinc/92/26/57/605922657.db2.gz BODFQVNUBPEYPM-VIFPVBQESA-N -1 0 307.372 -0.296 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@H](Cn3ccnn3)C2)C1 ZINC000834117403 605928452 /nfs/dbraw/zinc/92/84/52/605928452.db2.gz QZINLGTYZSCFGV-NWDGAFQWSA-N -1 0 323.353 -0.105 20 0 DBADRM CN(CC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1)C(=O)[O-] ZINC000833690748 605928633 /nfs/dbraw/zinc/92/86/33/605928633.db2.gz CGUGVTYLVSJQPF-UHFFFAOYSA-N -1 0 319.383 -0.331 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)CC[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000833878766 605929718 /nfs/dbraw/zinc/92/97/18/605929718.db2.gz UMAWSYCNMNFUEX-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)CCC(C)(C)NC(=O)[O-])CCO1 ZINC000833877185 605929769 /nfs/dbraw/zinc/92/97/69/605929769.db2.gz LYBKDIYKNXAWOU-VIFPVBQESA-N -1 0 301.343 -0.214 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@H](CC(F)F)NC(=O)[O-])CCO1 ZINC000833876129 605931227 /nfs/dbraw/zinc/93/12/27/605931227.db2.gz FPCNJSGKERRBDN-NKWVEPMBSA-N -1 0 309.269 -0.749 20 0 DBADRM O=C([O-])N[C@H]1CCN(CC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000740595833 605935478 /nfs/dbraw/zinc/93/54/78/605935478.db2.gz WDNAGPFVOKFLKL-NSHDSACASA-N -1 0 313.354 -0.306 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)NC1CC[NH+](CCO)CC1)C1CC1 ZINC000834144891 605936582 /nfs/dbraw/zinc/93/65/82/605936582.db2.gz MSEZBEGTZTYGRD-LBPRGKRZSA-N -1 0 314.386 -0.212 20 0 DBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)C1 ZINC000833786333 605940611 /nfs/dbraw/zinc/94/06/11/605940611.db2.gz VWRGMXAYBYWWQJ-UHFFFAOYSA-N -1 0 318.289 -0.402 20 0 DBADRM O=C([O-])NC1(CC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CCC1 ZINC000834153856 605941772 /nfs/dbraw/zinc/94/17/72/605941772.db2.gz CELQYUKZXVHEPI-QMMMGPOBSA-N -1 0 310.310 -0.671 20 0 DBADRM O=C([O-])N1CC[C@@H](CCC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000834289089 605942137 /nfs/dbraw/zinc/94/21/37/605942137.db2.gz JPPZTGRGEUFSCH-ZJUUUORDSA-N -1 0 324.337 -0.471 20 0 DBADRM O=C([O-])N1CC[C@H](CCC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC000834289088 605942258 /nfs/dbraw/zinc/94/22/58/605942258.db2.gz JPPZTGRGEUFSCH-VHSXEESVSA-N -1 0 324.337 -0.471 20 0 DBADRM O=C([O-])N1CCC[C@H]1CCC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000834290715 605942325 /nfs/dbraw/zinc/94/23/25/605942325.db2.gz UVNMYZGFFMHKAY-UWVGGRQHSA-N -1 0 324.337 -0.328 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)NC[C@@H](NC(=O)[O-])C2CC2)cn1 ZINC000833945929 605945793 /nfs/dbraw/zinc/94/57/93/605945793.db2.gz KKCNEGLTTBUPJD-GHMZBOCLSA-N -1 0 311.342 -0.201 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000740587232 605953700 /nfs/dbraw/zinc/95/37/00/605953700.db2.gz KLTJNTICBNXMEL-VIFPVBQESA-N -1 0 324.337 -0.281 20 0 DBADRM Cc1nnc(COC(=O)CNC(=O)CNC(=O)[O-])n1C1CC1 ZINC000833925081 605955539 /nfs/dbraw/zinc/95/55/39/605955539.db2.gz BTURXJNGJYWPHU-UHFFFAOYSA-N -1 0 311.298 -0.652 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)[C@H](O)c2ccccc2)CC1 ZINC000831615919 605958374 /nfs/dbraw/zinc/95/83/74/605958374.db2.gz JCHFINAOCVIUMJ-CYBMUJFWSA-N -1 0 321.333 -0.342 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)CN(C(=O)[O-])C2CC2)C1 ZINC000833985993 605963413 /nfs/dbraw/zinc/96/34/13/605963413.db2.gz DJLSKINFVAJRNQ-VIFPVBQESA-N -1 0 305.356 -0.592 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)CN(C(=O)[O-])C2CC2)C1 ZINC000833985992 605963447 /nfs/dbraw/zinc/96/34/47/605963447.db2.gz DJLSKINFVAJRNQ-SECBINFHSA-N -1 0 305.356 -0.592 20 0 DBADRM CNC(=O)CCCNC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000833875036 605966246 /nfs/dbraw/zinc/96/62/46/605966246.db2.gz HERZKGGWQQSJFI-SNVBAGLBSA-N -1 0 315.374 -0.894 20 0 DBADRM O=C(CN(CC1CC1)C(=O)[O-])NCCCN1CCNC(=O)C1 ZINC000834288647 605967180 /nfs/dbraw/zinc/96/71/80/605967180.db2.gz CXHOIUNDVLFJPN-UHFFFAOYSA-N -1 0 312.370 -0.686 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)N[C@H](CO)C2CCOCC2)C1 ZINC000834018007 605967549 /nfs/dbraw/zinc/96/75/49/605967549.db2.gz XJDOZINOTCGIGQ-GHMZBOCLSA-N -1 0 301.343 -0.175 20 0 DBADRM Cn1ccc(CC(=O)NCCCN2CCN(C(=O)[O-])CC2)n1 ZINC000833949928 605971834 /nfs/dbraw/zinc/97/18/34/605971834.db2.gz DFRBRVUYPXPWES-UHFFFAOYSA-N -1 0 309.370 -0.236 20 0 DBADRM O=C([O-])Nc1ccccc1CC(=O)N1CCN(C(=O)CO)CC1 ZINC000834270552 605972092 /nfs/dbraw/zinc/97/20/92/605972092.db2.gz ITXFCWDQXJJTFV-UHFFFAOYSA-N -1 0 321.333 -0.018 20 0 DBADRM O=C(COC(=O)CN(C(=O)[O-])C1CC1)NC1CCOCC1 ZINC000834008499 605980153 /nfs/dbraw/zinc/98/01/53/605980153.db2.gz JRGWGDKNXAXKLN-UHFFFAOYSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C(CCOC1CN(C(=O)[O-])C1)N[C@@H](CO)C1CCOCC1 ZINC000833993730 605981158 /nfs/dbraw/zinc/98/11/58/605981158.db2.gz YAIMFUNVXMAQOX-LBPRGKRZSA-N -1 0 316.354 -0.341 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)CN(C(=O)[O-])C2CC2)CC1 ZINC000833986320 605982699 /nfs/dbraw/zinc/98/26/99/605982699.db2.gz OFUOGQLVVCEOOA-UHFFFAOYSA-N -1 0 319.383 -0.344 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N[C@H]2CN(c3ccccc3)C2=O)C1 ZINC000834019597 605989611 /nfs/dbraw/zinc/98/96/11/605989611.db2.gz PXQREYJGVRMGAV-RYUDHWBXSA-N -1 0 319.317 -0.103 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCN(C(=O)C3CC3)CC2)C1 ZINC000834156685 605992605 /nfs/dbraw/zinc/99/26/05/605992605.db2.gz CPNLBZLRFZKDRC-NSHDSACASA-N -1 0 310.354 -0.633 20 0 DBADRM Cc1nnc(CN(C)CC(=O)NC[C@H](NC(=O)[O-])C2CC2)n1C ZINC000833924516 605994297 /nfs/dbraw/zinc/99/42/97/605994297.db2.gz UGJJZYDRRVJSJF-NSHDSACASA-N -1 0 324.385 -0.282 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCN(CC(F)F)CC2)C1 ZINC000834160880 605995336 /nfs/dbraw/zinc/99/53/36/605995336.db2.gz XIMSAZXVBJYWSS-SECBINFHSA-N -1 0 306.313 -0.305 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000834160018 605996379 /nfs/dbraw/zinc/99/63/79/605996379.db2.gz RIODUPCRLQGXKF-VXGBXAGGSA-N -1 0 323.353 -0.590 20 0 DBADRM CCS(=O)(=O)CCN(C)CN1C[C@H](NC(=O)[O-])CC1=O ZINC000833863410 605996978 /nfs/dbraw/zinc/99/69/78/605996978.db2.gz KYUKZSLRCLOIJQ-SECBINFHSA-N -1 0 307.372 -0.821 20 0 DBADRM NS(=O)(=O)CCNC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000833986935 606004340 /nfs/dbraw/zinc/00/43/40/606004340.db2.gz VKOCAZRQGVJVCU-UHFFFAOYSA-N -1 0 316.339 -0.136 20 0 DBADRM NC(=O)CN1CCC(NC(=O)[C@H](CC(F)F)NC(=O)[O-])CC1 ZINC000833985698 606005134 /nfs/dbraw/zinc/00/51/34/606005134.db2.gz UEZGONZVBMWRGD-QMMMGPOBSA-N -1 0 322.312 -0.656 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CN2CC(=O)N(C)C2=O)CCO1 ZINC000833819609 606009664 /nfs/dbraw/zinc/00/96/64/606009664.db2.gz OHGVGVALFMOAMV-BDAKNGLRSA-N -1 0 300.315 -0.805 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1cc(Cl)ccn1 ZINC000834196254 606011742 /nfs/dbraw/zinc/01/17/42/606011742.db2.gz KIZDFYOLYSPDLQ-UHFFFAOYSA-N -1 0 300.702 -0.265 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)NCC(=O)N1CCOCC1 ZINC000834216179 606016944 /nfs/dbraw/zinc/01/69/44/606016944.db2.gz QNKRFCAPDXNOSZ-JTQLQIEISA-N -1 0 314.342 -0.713 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)NCCCN2C(=O)CNC2=O)cn1 ZINC000834279523 606024148 /nfs/dbraw/zinc/02/41/48/606024148.db2.gz LWIVNACXYKNRAA-UHFFFAOYSA-N -1 0 322.281 -0.762 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)cn1 ZINC000834262971 606028390 /nfs/dbraw/zinc/02/83/90/606028390.db2.gz OYEAGCVZYYNKCT-CYBMUJFWSA-N -1 0 324.293 -0.622 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000834127624 606028515 /nfs/dbraw/zinc/02/85/15/606028515.db2.gz ICROLBZXJYZWRT-RNFRBKRXSA-N -1 0 319.264 -0.316 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)NC1CCN(CC(N)=O)CC1 ZINC000833865084 606029478 /nfs/dbraw/zinc/02/94/78/606029478.db2.gz HRZQAAAHNOYOQG-CABZTGNLSA-N -1 0 314.386 -0.265 20 0 DBADRM O=C([O-])N(CC(=O)NC[C@]1(O)CCOC1)C[C@@H]1CCCO1 ZINC000834006137 606035136 /nfs/dbraw/zinc/03/51/36/606035136.db2.gz IYOKITUNBMYRGI-GXFFZTMASA-N -1 0 302.327 -0.587 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@@H](CC(F)F)NC(=O)[O-])CC1 ZINC000833984291 606036338 /nfs/dbraw/zinc/03/63/38/606036338.db2.gz BJMPLAWWJTZVEF-MRVPVSSYSA-N -1 0 322.312 -0.703 20 0 DBADRM C[C@@H]1[C@@H](C)N(C(=O)[O-])CCN1CC1(O)CCS(=O)(=O)CC1 ZINC000833830313 606044752 /nfs/dbraw/zinc/04/47/52/606044752.db2.gz VRLFIGQOZOALIH-GHMZBOCLSA-N -1 0 320.411 -0.001 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)[C@H](CC(F)F)NC(=O)[O-])C1 ZINC000833986251 606046023 /nfs/dbraw/zinc/04/60/23/606046023.db2.gz LVMMGDAVBRQCTH-WDSKDSINSA-N -1 0 315.298 -0.833 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)NCCN(C)C(=O)[O-])co1 ZINC000833871910 606056874 /nfs/dbraw/zinc/05/68/74/606056874.db2.gz CEJQRMQYDJJKRE-UHFFFAOYSA-N -1 0 319.339 -0.131 20 0 DBADRM NC(=O)CN(CC(N)=O)C(=O)Cc1ccccc1NC(=O)[O-] ZINC000833985027 606057247 /nfs/dbraw/zinc/05/72/47/606057247.db2.gz MNVOUHVDUYKUPC-UHFFFAOYSA-N -1 0 308.294 -0.882 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)N2CCCS(=O)(=O)CC2)cn1 ZINC000834275896 606057598 /nfs/dbraw/zinc/05/75/98/606057598.db2.gz ISKJFZJEIVXEGV-UHFFFAOYSA-N -1 0 314.323 -0.173 20 0 DBADRM O=C([O-])Nc1ccccc1CC(=O)NCCN1C(=O)CNC1=O ZINC000834272894 606061588 /nfs/dbraw/zinc/06/15/88/606061588.db2.gz KPYWMLPMWALVFK-UHFFFAOYSA-N -1 0 320.305 -0.013 20 0 DBADRM O=C([O-])NCCCNC(=O)NCC1CCS(=O)(=O)CC1 ZINC000834238760 606076010 /nfs/dbraw/zinc/07/60/10/606076010.db2.gz YIABGLMJBDAROG-UHFFFAOYSA-N -1 0 307.372 -0.232 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)CCOC1CN(C(=O)[O-])C1)CC2 ZINC000833916540 606083898 /nfs/dbraw/zinc/08/38/98/606083898.db2.gz XNASLUPLJUCELM-SNVBAGLBSA-N -1 0 323.353 -0.214 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCC1CCS(=O)(=O)CC1 ZINC000834031305 606086997 /nfs/dbraw/zinc/08/69/97/606086997.db2.gz NEXCREHREIGVHW-SNVBAGLBSA-N -1 0 320.367 -0.694 20 0 DBADRM Cn1c(=O)cccc1C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000833941325 606100097 /nfs/dbraw/zinc/10/00/97/606100097.db2.gz XOWNKCLBDZYFFY-UHFFFAOYSA-N -1 0 308.338 -0.589 20 0 DBADRM O=C(CCOC1CN(C(=O)[O-])C1)OCCN1CCCC1=O ZINC000833993318 606102797 /nfs/dbraw/zinc/10/27/97/606102797.db2.gz BUFHBKQGYJLAFL-UHFFFAOYSA-N -1 0 300.311 -0.079 20 0 DBADRM O=C([O-])N[C@H]1CCc2ncc(NC(=O)C(=O)NCCO)cc2C1 ZINC000834190659 606106846 /nfs/dbraw/zinc/10/68/46/606106846.db2.gz YUWSJHFHZWRBOB-VIFPVBQESA-N -1 0 322.321 -0.747 20 0 DBADRM O=C([O-])NC1(C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000834150368 606107802 /nfs/dbraw/zinc/10/78/02/606107802.db2.gz BDOOXSUYGQRQOY-SECBINFHSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C(CCOC1CN(C(=O)[O-])C1)O[C@@H]1CCS(=O)(=O)C1 ZINC000833993537 606111078 /nfs/dbraw/zinc/11/10/78/606111078.db2.gz FLDLWWCNPNAUAQ-MRVPVSSYSA-N -1 0 307.324 -0.514 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)Cc1ccccc1-c1nn[nH]n1 ZINC000821593711 606178456 /nfs/dbraw/zinc/17/84/56/606178456.db2.gz GNSIQACDGQRGAN-UHFFFAOYSA-N -1 0 311.323 -0.287 20 0 DBADRM O=C(CCc1ccc(-c2nn[nH]n2)cc1)NCc1n[nH]c(=O)[n-]1 ZINC000822978766 606197787 /nfs/dbraw/zinc/19/77/87/606197787.db2.gz PZADEDQYUOJSAV-UHFFFAOYSA-N -1 0 314.309 -0.061 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823196259 606290577 /nfs/dbraw/zinc/29/05/77/606290577.db2.gz BAVZRRUHCBLREF-UHFFFAOYSA-N -1 0 303.286 -0.619 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)cc1)NCc1n[nH]c(=O)[n-]1 ZINC000823078906 606299975 /nfs/dbraw/zinc/29/99/75/606299975.db2.gz WNMXAAFDKOYDAX-UHFFFAOYSA-N -1 0 300.282 -0.451 20 0 DBADRM CCC[C@H]1C[C@H]1Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821034825 606420157 /nfs/dbraw/zinc/42/01/57/606420157.db2.gz UXFXQGRHZSJXNA-JGVFFNPUSA-N -1 0 305.342 -0.135 20 0 DBADRM CCn1cnc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)c1 ZINC000821566453 606708953 /nfs/dbraw/zinc/70/89/53/606708953.db2.gz DVYZOTZTTUYRJC-UHFFFAOYSA-N -1 0 323.342 -0.383 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCC2CCC2)n(C)c1=O ZINC000822599542 606728084 /nfs/dbraw/zinc/72/80/84/606728084.db2.gz DRFSPBJHENVPTG-UHFFFAOYSA-N -1 0 305.342 -0.134 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)[O-] ZINC000820274846 606833672 /nfs/dbraw/zinc/83/36/72/606833672.db2.gz KEOAMNHSGKPDTA-ZETCQYMHSA-N -1 0 311.323 -0.134 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccnc2ccnn21 ZINC000823136114 607158959 /nfs/dbraw/zinc/15/89/59/607158959.db2.gz KOYWNLQOORTTNM-UHFFFAOYSA-N -1 0 311.269 -0.860 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1cn2ccccc2n1 ZINC000823131778 607206123 /nfs/dbraw/zinc/20/61/23/607206123.db2.gz ODEXIKFUOOTVNF-UHFFFAOYSA-N -1 0 324.308 -0.578 20 0 DBADRM C[C@H](Cc1ccco1)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820301430 607207057 /nfs/dbraw/zinc/20/70/57/607207057.db2.gz YKSYRPZRMQGIIN-MRVPVSSYSA-N -1 0 302.298 -0.201 20 0 DBADRM O=C([O-])CCNS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000823386981 607207619 /nfs/dbraw/zinc/20/76/19/607207619.db2.gz AAXXIJGPUIVJHB-UHFFFAOYSA-N -1 0 311.323 -0.239 20 0 DBADRM CCO[C@@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821367419 607210195 /nfs/dbraw/zinc/21/01/95/607210195.db2.gz IVVQGDZKXNCVBQ-SECBINFHSA-N -1 0 306.330 -0.514 20 0 DBADRM CCCc1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n[nH]1 ZINC000821138784 607216159 /nfs/dbraw/zinc/21/61/59/607216159.db2.gz HKZNUECPXISIRB-UHFFFAOYSA-N -1 0 302.302 -0.228 20 0 DBADRM COC(=O)[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(C)(C)C ZINC000821640487 607217497 /nfs/dbraw/zinc/21/74/97/607217497.db2.gz JLGCXJJEAZHNSZ-QMMMGPOBSA-N -1 0 322.329 -0.838 20 0 DBADRM COCc1csc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC000821695728 607217581 /nfs/dbraw/zinc/21/75/81/607217581.db2.gz FVAVRWIHUBCPCU-UHFFFAOYSA-N -1 0 321.326 -0.300 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC1Cc2ccccc2C1 ZINC000823127297 607217787 /nfs/dbraw/zinc/21/77/87/607217787.db2.gz ZFEMFGAHDCGCMJ-UHFFFAOYSA-N -1 0 324.348 -0.011 20 0 DBADRM CC(C)OCCCN(C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820142354 607218755 /nfs/dbraw/zinc/21/87/55/607218755.db2.gz LYUIMBHXRGGSCL-UHFFFAOYSA-N -1 0 308.346 -0.268 20 0 DBADRM CC[C@@H](C)[C@@](C)(O)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820859052 607219320 /nfs/dbraw/zinc/21/93/20/607219320.db2.gz AWOUGDYTIPXLCI-PELKAZGASA-N -1 0 308.346 -0.629 20 0 DBADRM C[C@@]1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCC[C@@H]1O ZINC000820613185 607221290 /nfs/dbraw/zinc/22/12/90/607221290.db2.gz VVKJONHVYTURQW-ZANVPECISA-N -1 0 320.357 -0.484 20 0 DBADRM COC(=O)CC1(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCC1 ZINC000821659214 607221379 /nfs/dbraw/zinc/22/13/79/607221379.db2.gz VTUPKPGSRFKQFK-UHFFFAOYSA-N -1 0 320.313 -0.940 20 0 DBADRM COC1CCC(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000821679608 607221391 /nfs/dbraw/zinc/22/13/91/607221391.db2.gz FBVSNEKLIDYNMK-UHFFFAOYSA-N -1 0 320.357 -0.220 20 0 DBADRM CC[C@@](C)(CC(=O)OC)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820853456 607221418 /nfs/dbraw/zinc/22/14/18/607221418.db2.gz MXNXORKNAKXKQQ-LBPRGKRZSA-N -1 0 322.329 -0.694 20 0 DBADRM CC[C@](C)(CC(=O)OC)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820853455 607221579 /nfs/dbraw/zinc/22/15/79/607221579.db2.gz MXNXORKNAKXKQQ-GFCCVEGCSA-N -1 0 322.329 -0.694 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccn(CC(F)F)n1 ZINC000823136108 607221961 /nfs/dbraw/zinc/22/19/61/607221961.db2.gz KIVNCXZQLQKJHY-UHFFFAOYSA-N -1 0 324.255 -0.442 20 0 DBADRM CN(Cc1cccn1C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821615790 607223343 /nfs/dbraw/zinc/22/33/43/607223343.db2.gz NNECWOFTJCQYGM-UHFFFAOYSA-N -1 0 301.314 -0.545 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@H]2COCC[C@@H]21 ZINC000823127235 607223603 /nfs/dbraw/zinc/22/36/03/607223603.db2.gz XLMWVXHCZPRJOA-UWVGGRQHSA-N -1 0 318.341 -0.514 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@H](O)C1CCCCC1 ZINC000823126975 607224020 /nfs/dbraw/zinc/22/40/20/607224020.db2.gz PGQZSVJLWKMKBH-JTQLQIEISA-N -1 0 320.357 -0.484 20 0 DBADRM C[C@@H]1OCC[C@@H]1Sc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825022858 607820180 /nfs/dbraw/zinc/82/01/80/607820180.db2.gz ZOYXOZGNCSOJQA-BQBZGAKWSA-N -1 0 324.366 -0.466 20 0 DBADRM C[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C1CCC1 ZINC000824650653 607904531 /nfs/dbraw/zinc/90/45/31/607904531.db2.gz URIOASJRFOLIBB-ZETCQYMHSA-N -1 0 305.342 -0.135 20 0 DBADRM C[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C1CCC1 ZINC000824650650 607904573 /nfs/dbraw/zinc/90/45/73/607904573.db2.gz URIOASJRFOLIBB-SSDOTTSWSA-N -1 0 305.342 -0.135 20 0 DBADRM CC[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC000825135179 607913004 /nfs/dbraw/zinc/91/30/04/607913004.db2.gz ZSLTXHYOEPDOTI-RKDXNWHRSA-N -1 0 306.330 -0.468 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCCC[C@@H]1CO ZINC000826425597 607993868 /nfs/dbraw/zinc/99/38/68/607993868.db2.gz KQDGRRSKGWLTLO-BDAKNGLRSA-N -1 0 306.330 -0.875 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000825897102 608009971 /nfs/dbraw/zinc/00/99/71/608009971.db2.gz BXZWLKQUUNAKNJ-UHFFFAOYSA-N -1 0 315.286 -0.289 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)C(=O)[O-] ZINC000824640437 608010602 /nfs/dbraw/zinc/01/06/02/608010602.db2.gz IRSPNXJNZBCCDL-YFKPBYRVSA-N -1 0 315.286 -0.243 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)C(=O)[O-] ZINC000824641338 608010651 /nfs/dbraw/zinc/01/06/51/608010651.db2.gz UNBMVRZVVREKOE-RXMQYKEDSA-N -1 0 315.286 -0.243 20 0 DBADRM O=C([O-])CCNS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC000826461558 608010810 /nfs/dbraw/zinc/01/08/10/608010810.db2.gz ZOQOJSFYZOFUEK-UHFFFAOYSA-N -1 0 315.286 -0.241 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000825914431 608011037 /nfs/dbraw/zinc/01/10/37/608011037.db2.gz FALAEZCGKNDHDH-UHFFFAOYSA-N -1 0 312.311 -0.643 20 0 DBADRM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N[C@H](C)C(=O)[O-] ZINC000826255823 608011745 /nfs/dbraw/zinc/01/17/45/608011745.db2.gz LQTKWTOOMOHIIB-SSDOTTSWSA-N -1 0 311.323 -0.073 20 0 DBADRM COc1cccc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)n1 ZINC000826216515 608095714 /nfs/dbraw/zinc/09/57/14/608095714.db2.gz CBKGEANPEMNJPR-UHFFFAOYSA-N -1 0 315.293 -0.821 20 0 DBADRM CC(C)c1nnc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)o1 ZINC000824364945 608096094 /nfs/dbraw/zinc/09/60/94/608096094.db2.gz WNJKBVHQASIZKE-UHFFFAOYSA-N -1 0 318.297 -0.718 20 0 DBADRM CCc1noc(C)c1Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC000825770865 608096160 /nfs/dbraw/zinc/09/61/60/608096160.db2.gz DXWZQCDYDDMXIS-UHFFFAOYSA-N -1 0 317.309 -0.366 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2nnc(C)s2)c1=O ZINC000825799841 608291153 /nfs/dbraw/zinc/29/11/53/608291153.db2.gz TVSMREYCKHCECW-UHFFFAOYSA-N -1 0 320.338 -0.582 20 0 DBADRM CC1(C)C[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C(C)(C)O1 ZINC000824790166 609397925 /nfs/dbraw/zinc/39/79/25/609397925.db2.gz KXNKSXFDBZVEAZ-QMMMGPOBSA-N -1 0 320.357 -0.080 20 0 DBADRM CN(C[C@@H]1CCCC[C@H]1O)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825908833 609403458 /nfs/dbraw/zinc/40/34/58/609403458.db2.gz MVMQKNSOUCQYHL-VHSXEESVSA-N -1 0 320.357 -0.532 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(S[C@H]2CCCOC2)n(C)c1=O ZINC000826356331 609580348 /nfs/dbraw/zinc/58/03/48/609580348.db2.gz LSSKWGFIEFZYOU-ZETCQYMHSA-N -1 0 324.366 -0.465 20 0 DBADRM C[C@H]1OCC[C@]1(C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825012613 609593666 /nfs/dbraw/zinc/59/36/66/609593666.db2.gz KGIKUSUUEQQFKI-UHLUBPPHSA-N -1 0 321.341 -0.757 20 0 DBADRM CC(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000976924260 665406812 /nfs/dbraw/zinc/40/68/12/665406812.db2.gz XIIARJXQRSIMQD-GDGBQDQQSA-N -1 0 323.353 -0.692 20 0 DBADRM C/C=C(/C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000976933954 665407294 /nfs/dbraw/zinc/40/72/94/665407294.db2.gz YTZIOFZIMFSHGY-LOLBHOASSA-N -1 0 321.337 -0.772 20 0 DBADRM O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1cnon1)c1cn[nH]n1 ZINC000976937298 665407592 /nfs/dbraw/zinc/40/75/92/665407592.db2.gz DNOBZTQZEBXALC-HTQZYQBOSA-N -1 0 305.298 -0.341 20 0 DBADRM O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1cn[nH]n1 ZINC000976937273 665407702 /nfs/dbraw/zinc/40/77/02/665407702.db2.gz BWKYRECZWMZZJW-TUTUZKQUSA-N -1 0 319.365 -0.146 20 0 DBADRM CC[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000976929126 665409306 /nfs/dbraw/zinc/40/93/06/665409306.db2.gz BWEMILFSYLULOS-REIXXSIJSA-N -1 0 323.353 -0.692 20 0 DBADRM CC[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000976929128 665409495 /nfs/dbraw/zinc/40/94/95/665409495.db2.gz BWEMILFSYLULOS-WYOJIJJFSA-N -1 0 323.353 -0.692 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001027450613 665410851 /nfs/dbraw/zinc/41/08/51/665410851.db2.gz SJXGPGBANORBKP-VIFPVBQESA-N -1 0 324.385 -0.555 20 0 DBADRM CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000977163968 665442258 /nfs/dbraw/zinc/44/22/58/665442258.db2.gz DFRVBXVAYPARIK-JIGDXULJSA-N -1 0 321.337 -0.485 20 0 DBADRM CN(C[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1CC1 ZINC000977250515 665452409 /nfs/dbraw/zinc/45/24/09/665452409.db2.gz WQTNWQKZCDOAEE-SECBINFHSA-N -1 0 309.326 -0.841 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1nnc[nH]1 ZINC000977357910 665462414 /nfs/dbraw/zinc/46/24/14/665462414.db2.gz UMIYRZAHUMAICO-ZETCQYMHSA-N -1 0 306.330 -0.731 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cn1ccnc1 ZINC000977665276 665492310 /nfs/dbraw/zinc/49/23/10/665492310.db2.gz HDUZHQLUSMGSID-SNVBAGLBSA-N -1 0 319.369 -0.266 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ccc[nH]1 ZINC000977786739 665500615 /nfs/dbraw/zinc/50/06/15/665500615.db2.gz GFZRDQPBHHHEJY-OWUUHHOZSA-N -1 0 302.338 -0.054 20 0 DBADRM Cn1nccc1C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000977896384 665505130 /nfs/dbraw/zinc/50/51/30/665505130.db2.gz JZCQCKBENBEWME-OWUUHHOZSA-N -1 0 317.353 -0.648 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@H]1CCCOC1 ZINC000977943243 665506988 /nfs/dbraw/zinc/50/69/88/665506988.db2.gz SHJKWNKMCNWVIJ-FIQHERPVSA-N -1 0 321.381 -0.269 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@@H]1CCCCO1 ZINC000977997277 665511621 /nfs/dbraw/zinc/51/16/21/665511621.db2.gz MLIVDJVQIJGICP-YFKTTZPYSA-N -1 0 321.381 -0.127 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC000663047487 665512444 /nfs/dbraw/zinc/51/24/44/665512444.db2.gz DAOLNKOYRUHIBV-ZJUUUORDSA-N -1 0 304.368 -0.363 20 0 DBADRM Cn1cnc(C(=O)NC[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)c1 ZINC000978040756 665514352 /nfs/dbraw/zinc/51/43/52/665514352.db2.gz QSZIZEQOBBIXLS-OWUUHHOZSA-N -1 0 317.353 -0.648 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000663050116 665515928 /nfs/dbraw/zinc/51/59/28/665515928.db2.gz HVKPSOQJGCCKSE-KCJUWKMLSA-N -1 0 308.356 -0.984 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978074227 665517552 /nfs/dbraw/zinc/51/75/52/665517552.db2.gz SARGXJYRWCCWBN-HRDYMLBCSA-N -1 0 321.337 -0.388 20 0 DBADRM Cc1c[nH]nc1C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000978112434 665519501 /nfs/dbraw/zinc/51/95/01/665519501.db2.gz GLDZIQCFVLROJD-OWUUHHOZSA-N -1 0 317.353 -0.350 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978147416 665523495 /nfs/dbraw/zinc/52/34/95/665523495.db2.gz MYYOEUQXJGLEQT-IWSPIJDZSA-N -1 0 321.337 -0.388 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978197459 665526233 /nfs/dbraw/zinc/52/62/33/665526233.db2.gz MYYOEUQXJGLEQT-CIUDSAMLSA-N -1 0 321.337 -0.388 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001027625821 665540034 /nfs/dbraw/zinc/54/00/34/665540034.db2.gz XEYCEVOOAVUWBT-MRVPVSSYSA-N -1 0 306.330 -0.635 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cnco1 ZINC000978547214 665542585 /nfs/dbraw/zinc/54/25/85/665542585.db2.gz CMSUIDCTAWODIK-PSVAKVPMSA-N -1 0 304.310 -0.394 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000978561629 665543941 /nfs/dbraw/zinc/54/39/41/665543941.db2.gz RPGLPACJVPZDNB-DOLQZWNJSA-N -1 0 323.353 -0.644 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000979060745 665597737 /nfs/dbraw/zinc/59/77/37/665597737.db2.gz CPYRZXHUXCXJMU-HXFLIBJXSA-N -1 0 321.337 -0.437 20 0 DBADRM CC(C)(C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000979060507 665597884 /nfs/dbraw/zinc/59/78/84/665597884.db2.gz AMVRZCWTRMMZOE-OCAPTIKFSA-N -1 0 323.353 -0.047 20 0 DBADRM Cn1cc(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001027742190 665616726 /nfs/dbraw/zinc/61/67/26/665616726.db2.gz LVCPAFHVIXKHIX-JTQLQIEISA-N -1 0 305.342 -0.362 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1COCCO1 ZINC001027766668 665630132 /nfs/dbraw/zinc/63/01/32/665630132.db2.gz UQVNGIUOWBMVAP-ZJUUUORDSA-N -1 0 311.342 -0.994 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000979559746 665668991 /nfs/dbraw/zinc/66/89/91/665668991.db2.gz UCQBSVNWQVNQEC-GUBZILKMSA-N -1 0 309.326 -0.938 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC000979558845 665669219 /nfs/dbraw/zinc/66/92/19/665669219.db2.gz HWJUVNJGRQZCJQ-MVWJERBFSA-N -1 0 320.349 -0.527 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000979559748 665668923 /nfs/dbraw/zinc/66/89/23/665668923.db2.gz UCQBSVNWQVNQEC-LPEHRKFASA-N -1 0 309.326 -0.938 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)c3cn[nH]n3)C2)ncn1 ZINC000979642714 665677068 /nfs/dbraw/zinc/67/70/68/665677068.db2.gz RASBTOWTRHCBMJ-MGCOHNPYSA-N -1 0 315.337 -0.158 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2[C@@H]2CCNC2=O)c1[O-] ZINC001027833032 665684987 /nfs/dbraw/zinc/68/49/87/665684987.db2.gz LSHMZYPIIVTILC-NXEZZACHSA-N -1 0 307.354 -0.494 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2Cc2nnn(C)n2)c1[O-] ZINC001027833942 665685203 /nfs/dbraw/zinc/68/52/03/665685203.db2.gz WCPZOAXQVPOOLW-VIFPVBQESA-N -1 0 320.357 -0.658 20 0 DBADRM Cn1ncc(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)c1N ZINC001027837503 665689518 /nfs/dbraw/zinc/68/95/18/665689518.db2.gz WXNVGQAARFGLFL-QMMMGPOBSA-N -1 0 320.357 -0.780 20 0 DBADRM COc1cc(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)on1 ZINC001027838832 665689979 /nfs/dbraw/zinc/68/99/79/665689979.db2.gz XBWHQSYOAIROMT-QMMMGPOBSA-N -1 0 322.325 -0.099 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc(=O)[nH]n1 ZINC001010037089 665691223 /nfs/dbraw/zinc/69/12/23/665691223.db2.gz HAUORUFZHNAQPD-SSDOTTSWSA-N -1 0 305.298 -0.990 20 0 DBADRM CCC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000979870915 665693987 /nfs/dbraw/zinc/69/39/87/665693987.db2.gz VXXJTLYBNSTHFV-DJLDLDEBSA-N -1 0 321.337 -0.340 20 0 DBADRM CCC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]12 ZINC000979895647 665695080 /nfs/dbraw/zinc/69/50/80/665695080.db2.gz SGEMZDLGPBYQGJ-OPRDCNLKSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CCC(NC(=O)C2CC2)CC1 ZINC000979976596 665701750 /nfs/dbraw/zinc/70/17/50/665701750.db2.gz LHXASMQERQVROH-UHFFFAOYSA-N -1 0 323.353 -0.357 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000980065740 665712962 /nfs/dbraw/zinc/71/29/62/665712962.db2.gz CPYRZXHUXCXJMU-XSPKLOCKSA-N -1 0 321.337 -0.437 20 0 DBADRM CC(C)(C)C(=O)N[C@H]1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000980065611 665713049 /nfs/dbraw/zinc/71/30/49/665713049.db2.gz AMVRZCWTRMMZOE-ZKCHVHJHSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000980065734 665713128 /nfs/dbraw/zinc/71/31/28/665713128.db2.gz CPYRZXHUXCXJMU-BGZDPUMWSA-N -1 0 321.337 -0.437 20 0 DBADRM Cc1c[nH]nc1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027876511 665718822 /nfs/dbraw/zinc/71/88/22/665718822.db2.gz OTVIXAYKUXEMHU-SECBINFHSA-N -1 0 305.342 -0.064 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](CNC(=O)c3nnc[nH]3)C2)c1[O-] ZINC000980140701 665723858 /nfs/dbraw/zinc/72/38/58/665723858.db2.gz ADVQURUWEBYENK-ZKCHVHJHSA-N -1 0 319.325 -0.520 20 0 DBADRM COc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)NCC(=O)[O-] ZINC000314487417 665734967 /nfs/dbraw/zinc/73/49/67/665734967.db2.gz OLXLHWUBFHRALX-UHFFFAOYSA-N -1 0 311.250 -0.466 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1CCCNC1=O ZINC001027948036 665772566 /nfs/dbraw/zinc/77/25/66/665772566.db2.gz XJSMVNMCNRVILA-UWVGGRQHSA-N -1 0 322.369 -0.883 20 0 DBADRM CC(C)C(=O)N1CC[C@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000936658014 665773347 /nfs/dbraw/zinc/77/33/47/665773347.db2.gz FSOZGYWAERMOMT-QMMMGPOBSA-N -1 0 309.326 -0.388 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027949962 665775332 /nfs/dbraw/zinc/77/53/32/665775332.db2.gz HLDBMYSEXUFFAP-QMMMGPOBSA-N -1 0 321.341 -0.358 20 0 DBADRM CC(C)C(=O)N1CC[C@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000936659899 665781720 /nfs/dbraw/zinc/78/17/20/665781720.db2.gz VMURLGZSMVCKAR-VIFPVBQESA-N -1 0 311.342 -0.595 20 0 DBADRM O=C(NC[C@@H]1CCCN1[C@@H]1CCNC1=O)c1cnc[nH]c1=O ZINC001027957984 665782118 /nfs/dbraw/zinc/78/21/18/665782118.db2.gz VFWYODPLRMQRID-GXSJLCMTSA-N -1 0 305.338 -0.735 20 0 DBADRM O=C(CN1CCCC1=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980685261 665788017 /nfs/dbraw/zinc/78/80/17/665788017.db2.gz SUFVTHYIHCJCSA-UHFFFAOYSA-N -1 0 322.369 -0.833 20 0 DBADRM CCO[C@@H]1C[C@@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980764060 665796781 /nfs/dbraw/zinc/79/67/81/665796781.db2.gz BCYMJPCTPQGTCV-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(c1cnns1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980767827 665797253 /nfs/dbraw/zinc/79/72/53/665797253.db2.gz MLTMXYDQNFYVHK-UHFFFAOYSA-N -1 0 309.355 -0.290 20 0 DBADRM O=C(Cc1ccon1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980875172 665808039 /nfs/dbraw/zinc/80/80/39/665808039.db2.gz NNLVHNVPSQBPCV-UHFFFAOYSA-N -1 0 306.326 -0.225 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN(CCn3cncn3)CC2)c1[O-] ZINC000980979249 665813907 /nfs/dbraw/zinc/81/39/07/665813907.db2.gz KBZBIDFADAAWFR-UHFFFAOYSA-N -1 0 319.369 -0.137 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1csnn1 ZINC001028056441 665830900 /nfs/dbraw/zinc/83/09/00/665830900.db2.gz PHIJLJXEOTXEHT-SSDOTTSWSA-N -1 0 309.355 -0.244 20 0 DBADRM CN(CC(=O)NC1CC1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000036133089 665831508 /nfs/dbraw/zinc/83/15/08/665831508.db2.gz MTNQUOISXUXLBP-UHFFFAOYSA-N -1 0 301.324 -0.388 20 0 DBADRM CN1C[C@H](C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1=O ZINC000981277340 665838528 /nfs/dbraw/zinc/83/85/28/665838528.db2.gz DFDVTDBBJCJHJX-SNVBAGLBSA-N -1 0 322.369 -0.977 20 0 DBADRM NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981757172 665872860 /nfs/dbraw/zinc/87/28/60/665872860.db2.gz RVNYPJGMBZZUAY-NXEZZACHSA-N -1 0 322.369 -0.944 20 0 DBADRM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981790407 665875903 /nfs/dbraw/zinc/87/59/03/665875903.db2.gz VCFURVFTZIOCQH-IAZYJMLFSA-N -1 0 307.354 -0.563 20 0 DBADRM O=C(Cc1cnoc1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981810253 665877367 /nfs/dbraw/zinc/87/73/67/665877367.db2.gz XUQKUOQLXXAMIG-UHFFFAOYSA-N -1 0 306.326 -0.225 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981811192 665877429 /nfs/dbraw/zinc/87/74/29/665877429.db2.gz FUZZUZORLQECPG-SNVBAGLBSA-N -1 0 322.369 -0.835 20 0 DBADRM C[C@H]1CC[C@H](CN2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)O1 ZINC000949111211 665890268 /nfs/dbraw/zinc/89/02/68/665890268.db2.gz IRDCBMYTZMOZFA-VHSXEESVSA-N -1 0 323.353 -0.392 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981985315 665898658 /nfs/dbraw/zinc/89/86/58/665898658.db2.gz PUIFTPSQJNQBPM-PWSUYJOCSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1c[nH]c(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001028190971 665899912 /nfs/dbraw/zinc/89/99/12/665899912.db2.gz HFMNWZUESZNRLU-SECBINFHSA-N -1 0 305.342 -0.064 20 0 DBADRM CCOC(=O)CN(C)S(=O)(=O)[N-]C(=O)[C@@]1(C)CC1(F)F ZINC000893697013 665909446 /nfs/dbraw/zinc/90/94/46/665909446.db2.gz DFKFKWUJVWPOQD-SECBINFHSA-N -1 0 314.310 -0.112 20 0 DBADRM Cc1nn(C)cc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010387447 665911779 /nfs/dbraw/zinc/91/17/79/665911779.db2.gz GMUSGXQCKIMYLF-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1cccnn1 ZINC001028216636 665913720 /nfs/dbraw/zinc/91/37/20/665913720.db2.gz JANNSYNDKDSPHY-SECBINFHSA-N -1 0 303.326 -0.305 20 0 DBADRM Cc1cnoc1C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[nH]1 ZINC001028237964 665937481 /nfs/dbraw/zinc/93/74/81/665937481.db2.gz DLJFVHPOXBPLTA-SNVBAGLBSA-N -1 0 320.353 -0.201 20 0 DBADRM CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC000261626118 665937490 /nfs/dbraw/zinc/93/74/90/665937490.db2.gz IQPINPFIEYQPLM-UHFFFAOYSA-N -1 0 322.321 -0.158 20 0 DBADRM C/C=C(\C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000936808238 665938323 /nfs/dbraw/zinc/93/83/23/665938323.db2.gz FDDJCUKEFVKPCX-JQYSZMLTSA-N -1 0 321.337 -0.533 20 0 DBADRM O=C(c1ccncn1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000982271751 665935335 /nfs/dbraw/zinc/93/53/35/665935335.db2.gz YCGPBBDWUBUJAQ-UHFFFAOYSA-N -1 0 303.326 -0.352 20 0 DBADRM O=C([N-]S(=O)(=O)CC[C@H]1CCCO1)c1cc2n(n1)CCO2 ZINC000893710694 665958365 /nfs/dbraw/zinc/95/83/65/665958365.db2.gz VAZQXFYPIQPGSD-SECBINFHSA-N -1 0 315.351 -0.096 20 0 DBADRM CS(=O)(=O)[N-]C(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000049416824 663791469 /nfs/dbraw/zinc/79/14/69/663791469.db2.gz HMZQIUUWOYSXTD-UHFFFAOYSA-N -1 0 317.348 -0.573 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2[C@@H]2CCCNC2=O)c1[O-] ZINC001038166020 663794546 /nfs/dbraw/zinc/79/45/46/663794546.db2.gz VFUQHZCDXFRNCN-NXEZZACHSA-N -1 0 307.354 -0.494 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3cnco3)[C@@H](O)C2)c1[O-] ZINC000969190434 663803592 /nfs/dbraw/zinc/80/35/92/663803592.db2.gz AJKAKCNAPBLVTG-SFYZADRCSA-N -1 0 321.293 -0.973 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001020428148 663806551 /nfs/dbraw/zinc/80/65/51/663806551.db2.gz YZCYALCYCGHQFW-XAVMHZPKSA-N -1 0 321.337 -0.342 20 0 DBADRM Cc1cnc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC000969244420 663808862 /nfs/dbraw/zinc/80/88/62/663808862.db2.gz VTRXIFNNVLDVOV-VIFPVBQESA-N -1 0 317.353 -0.141 20 0 DBADRM Cc1nn(C)cc1C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969417673 663828244 /nfs/dbraw/zinc/82/82/44/663828244.db2.gz JJRYBOQJFBPGHJ-MRVPVSSYSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@H](NC(=O)c1cccc(=O)[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969452910 663835530 /nfs/dbraw/zinc/83/55/30/663835530.db2.gz QOXMMWGZJZNESJ-QMMMGPOBSA-N -1 0 318.337 -0.139 20 0 DBADRM O=C([C@@H]1CCNC(=O)CC1)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC000969464857 663836035 /nfs/dbraw/zinc/83/60/35/663836035.db2.gz HSUWSHPRMJQHFV-VHSXEESVSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(CC(=O)NC3CC3)C2)c1[O-] ZINC000969506568 663838923 /nfs/dbraw/zinc/83/89/23/663838923.db2.gz RMPZEMUUAPXSQH-QMMMGPOBSA-N -1 0 321.381 -0.248 20 0 DBADRM CC[C@@H](C(N)=O)N1CC([C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000969500064 663838934 /nfs/dbraw/zinc/83/89/34/663838934.db2.gz GIHWJTIVSRCWCG-XCBNKYQSSA-N -1 0 309.370 -0.262 20 0 DBADRM CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000969510163 663839683 /nfs/dbraw/zinc/83/96/83/663839683.db2.gz LHOVTIFUDGVLFH-AOOOYVTPSA-N -1 0 323.353 -0.309 20 0 DBADRM C[C@@H](NC(=O)c1cc(=O)n(C)o1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969575271 663846567 /nfs/dbraw/zinc/84/65/67/663846567.db2.gz VCEJMKDWVAJMDR-SSDOTTSWSA-N -1 0 322.325 -0.948 20 0 DBADRM Cc1ncn(C)c1C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969895475 663878810 /nfs/dbraw/zinc/87/88/10/663878810.db2.gz AHANXLOCRYRXLN-QMMMGPOBSA-N -1 0 319.369 -0.197 20 0 DBADRM CC(=O)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC001020634112 663880516 /nfs/dbraw/zinc/88/05/16/663880516.db2.gz IWSDAGQHLZJPER-APPZFPTMSA-N -1 0 309.326 -0.483 20 0 DBADRM CCC(=O)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC001020635686 663880917 /nfs/dbraw/zinc/88/09/17/663880917.db2.gz CAHMONOPHFXTJQ-DTWKUNHWSA-N -1 0 323.353 -0.093 20 0 DBADRM COC1CC(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC000969917578 663881350 /nfs/dbraw/zinc/88/13/50/663881350.db2.gz ZFPHIXLRFNINFJ-FKTRJACZSA-N -1 0 309.370 -0.128 20 0 DBADRM COC1CC(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC000969917580 663881659 /nfs/dbraw/zinc/88/16/59/663881659.db2.gz ZFPHIXLRFNINFJ-SILCLGDVSA-N -1 0 309.370 -0.128 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2CC(=O)N2CCC2)c1[O-] ZINC001038172582 663889050 /nfs/dbraw/zinc/88/90/50/663889050.db2.gz QORCVTXGVICBMF-JTQLQIEISA-N -1 0 307.354 -0.540 20 0 DBADRM CC(=O)NC[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001020778540 663904678 /nfs/dbraw/zinc/90/46/78/663904678.db2.gz IMRYYFMJHOURMQ-WCBMZHEXSA-N -1 0 311.342 -0.690 20 0 DBADRM CC(=O)NC[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC001020781609 663905086 /nfs/dbraw/zinc/90/50/86/663905086.db2.gz USVZBLXZOXYWID-GXSJLCMTSA-N -1 0 322.365 -0.280 20 0 DBADRM Cn1cccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1=O ZINC001020944588 663925942 /nfs/dbraw/zinc/92/59/42/663925942.db2.gz KBANVVSMJREDLQ-KYZUINATSA-N -1 0 318.337 -0.740 20 0 DBADRM CCN(C(=O)C1CC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000967714309 663929551 /nfs/dbraw/zinc/92/95/51/663929551.db2.gz QFTGSICZWWTKOD-UHFFFAOYSA-N -1 0 309.326 -0.841 20 0 DBADRM Cc1cc(CN[C@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)no1 ZINC001020982860 663930928 /nfs/dbraw/zinc/93/09/28/663930928.db2.gz DDAZAWZYYLLLJI-KYZUINATSA-N -1 0 322.325 -0.577 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000804774780 663931240 /nfs/dbraw/zinc/93/12/40/663931240.db2.gz SWACWXGKVTUCGD-QWRGUYRKSA-N -1 0 319.427 -0.377 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[N-]OC1CCC1 ZINC000812794324 663933552 /nfs/dbraw/zinc/93/35/52/663933552.db2.gz ACMUSAFZJMMXPR-MRVPVSSYSA-N -1 0 302.356 -0.313 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CCS(C)(=O)=O)C2)c1[O-] ZINC001010628398 663942298 /nfs/dbraw/zinc/94/22/98/663942298.db2.gz KOAJQGXKCPCZBG-VIFPVBQESA-N -1 0 316.383 -0.728 20 0 DBADRM C[C@@H](NC(=O)c1csnn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970225964 663947946 /nfs/dbraw/zinc/94/79/46/663947946.db2.gz NEOGXYULAODJCP-ZCFIWIBFSA-N -1 0 309.355 -0.388 20 0 DBADRM CC(C)C(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001021101139 663948397 /nfs/dbraw/zinc/94/83/97/663948397.db2.gz CICKJSBGRPAOCR-DTWKUNHWSA-N -1 0 321.337 -0.388 20 0 DBADRM C[C@H](NC(=O)c1cnco1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000970232489 663950592 /nfs/dbraw/zinc/95/05/92/663950592.db2.gz UQSOHCMKKYAPBC-QMMMGPOBSA-N -1 0 306.326 -0.653 20 0 DBADRM Cc1cnn(C)c1C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970291543 663962433 /nfs/dbraw/zinc/96/24/33/663962433.db2.gz CGMKAMFWVORWSF-VIFPVBQESA-N -1 0 319.369 -0.197 20 0 DBADRM Cn1[nH]c(CN[C@@H]2CCN(C(=O)Cc3ccco3)C2)nc1=O ZINC000970308995 663967268 /nfs/dbraw/zinc/96/72/68/663967268.db2.gz CDFXNJSXDLNZFH-SNVBAGLBSA-N -1 0 305.338 -0.365 20 0 DBADRM CCn1cnc(C(=O)N2CC[C@@H](NCc3nc(=O)n(C)[nH]3)C2)c1 ZINC000970498034 663999761 /nfs/dbraw/zinc/99/97/61/663999761.db2.gz VRWAYRLUNVMUBT-SNVBAGLBSA-N -1 0 319.369 -0.671 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)CC3CC3)[C@H](O)C2)c1[O-] ZINC000991207765 674582905 /nfs/dbraw/zinc/58/29/05/674582905.db2.gz YFZTXNNTZDAAFA-GHMZBOCLSA-N -1 0 322.365 -0.085 20 0 DBADRM Cc1nc[nH]c1C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970991981 664089072 /nfs/dbraw/zinc/08/90/72/664089072.db2.gz FEVRYIFOCPOWRC-SSDOTTSWSA-N -1 0 305.342 -0.208 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@H](O)C2CCOCC2)[C@H](C(=O)[O-])C1 ZINC000909982460 674588669 /nfs/dbraw/zinc/58/86/69/674588669.db2.gz IJZROGIMRSAOKT-GRYCIOLGSA-N -1 0 301.339 -0.136 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)[N-]NC(=O)[C@H]2CCCO2)cc1 ZINC000055590200 664097193 /nfs/dbraw/zinc/09/71/93/664097193.db2.gz VYLZSUPLNHUZBA-SNVBAGLBSA-N -1 0 313.335 -0.726 20 0 DBADRM Cc1c(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC000971083229 664105986 /nfs/dbraw/zinc/10/59/86/664105986.db2.gz KHCPWUOJFQPLNE-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)CCn2cccn2)C1 ZINC000971101583 664108451 /nfs/dbraw/zinc/10/84/51/664108451.db2.gz MSQWFJVYISIYCJ-LLVKDONJSA-N -1 0 319.369 -0.170 20 0 DBADRM Cc1cc(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC000971163710 664118538 /nfs/dbraw/zinc/11/85/38/664118538.db2.gz WMDCNLHKOKMDIB-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000063142723 664119026 /nfs/dbraw/zinc/11/90/26/664119026.db2.gz OQPLGCZXPYGPQW-QMMMGPOBSA-N -1 0 301.386 -0.454 20 0 DBADRM Cc1cc(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC000971167918 664119392 /nfs/dbraw/zinc/11/93/92/664119392.db2.gz YHINOKJPCOSYJN-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CC(C)[C@@H](C(=O)N1CC(C)(C(=O)[O-])C1)N1CCCS1(=O)=O ZINC000910057498 674591431 /nfs/dbraw/zinc/59/14/31/674591431.db2.gz VYGSEVPYOKESGJ-JTQLQIEISA-N -1 0 318.395 -0.020 20 0 DBADRM CC(C)CC(=O)N1CC([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006492313 664132785 /nfs/dbraw/zinc/13/27/85/664132785.db2.gz IXEVPSGSAZCFPC-MRVPVSSYSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1c(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)nnn1C ZINC000971260874 664133537 /nfs/dbraw/zinc/13/35/37/664133537.db2.gz WCMZWTKHSXBYEZ-VIFPVBQESA-N -1 0 320.357 -0.706 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N(CC(=O)[O-])C1CCC1 ZINC000910083853 674592016 /nfs/dbraw/zinc/59/20/16/674592016.db2.gz KXLJRSSDYOXNLR-UHFFFAOYSA-N -1 0 307.372 -0.810 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000971338879 664143558 /nfs/dbraw/zinc/14/35/58/664143558.db2.gz YWAUQSMPTSTDDK-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM CC(C)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000971360176 664147322 /nfs/dbraw/zinc/14/73/22/664147322.db2.gz RNPMJHPFLMIHKQ-RKDXNWHRSA-N -1 0 321.337 -0.388 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC([C@@H](F)C(=O)[O-])C1 ZINC000910135150 674593633 /nfs/dbraw/zinc/59/36/33/674593633.db2.gz MFFXYECOWNHSMX-VHSXEESVSA-N -1 0 322.358 -0.318 20 0 DBADRM CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114229 664161506 /nfs/dbraw/zinc/16/15/06/664161506.db2.gz WYTDAUSLDXNWSO-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NCc3cnn(C)n3)C2)c1[O-] ZINC001021974226 664181775 /nfs/dbraw/zinc/18/17/75/664181775.db2.gz WPPLTXPWPGNKBV-DTORHVGOSA-N -1 0 305.342 -0.397 20 0 DBADRM COCC1(S(=O)(=O)N[C@H](Cc2ncccn2)C(=O)[O-])CC1 ZINC000650428757 664188861 /nfs/dbraw/zinc/18/88/61/664188861.db2.gz SLCIAESNILIHNV-SECBINFHSA-N -1 0 315.351 -0.429 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3ncn(C)n3)CC2)c1[O-] ZINC001011007479 664189379 /nfs/dbraw/zinc/18/93/79/664189379.db2.gz SFQDCPWCFXGZRO-UHFFFAOYSA-N -1 0 319.325 -0.850 20 0 DBADRM CC(C)(CNC(=O)N1CCOC[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC000093535330 664195803 /nfs/dbraw/zinc/19/58/03/664195803.db2.gz OIHFFVALAGYNDD-MRVPVSSYSA-N -1 0 308.356 -0.695 20 0 DBADRM CCn1nncc1C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000971497243 664195905 /nfs/dbraw/zinc/19/59/05/664195905.db2.gz TWLVFJZUZKEHOL-VIFPVBQESA-N -1 0 320.357 -0.532 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H](O)C2CCOCC2)[C@@](C)(C(=O)[O-])C1 ZINC000910264514 674600036 /nfs/dbraw/zinc/60/00/36/674600036.db2.gz LFKKJIWQKQRZSX-MISXGVKJSA-N -1 0 301.339 -0.136 20 0 DBADRM CCN1CCO[C@H](C(=O)N2C[C@H](OC)C[C@]2(C)C(=O)[O-])C1 ZINC000910263024 674601368 /nfs/dbraw/zinc/60/13/68/674601368.db2.gz KEKSLWGXGVCWCZ-UHIISALHSA-N -1 0 300.355 -0.202 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)CS(=O)(=O)C2CC2)C1 ZINC000910148972 674595195 /nfs/dbraw/zinc/59/51/95/674595195.db2.gz ZPAXVUUOFLXXJZ-MRVPVSSYSA-N -1 0 307.393 -0.160 20 0 DBADRM O=C(N[C@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1)c1cn[nH]c(=O)c1 ZINC001022244781 664244860 /nfs/dbraw/zinc/24/48/60/664244860.db2.gz GPGZAYNQKMUXLC-OCAPTIKFSA-N -1 0 305.298 -0.944 20 0 DBADRM Cc1ncn(C)c1C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000971734416 664246155 /nfs/dbraw/zinc/24/61/55/664246155.db2.gz OKJPZSXBQZFIKF-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H]2CN(C(=O)C3CC3)C[C@H]21 ZINC001022255023 664248129 /nfs/dbraw/zinc/24/81/29/664248129.db2.gz JMYFOCAYQXGZBS-DTWKUNHWSA-N -1 0 319.321 -0.634 20 0 DBADRM O=C(COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NNC(=O)c1cccs1 ZINC000051306800 664254099 /nfs/dbraw/zinc/25/40/99/664254099.db2.gz IWAJKRMVHHSPFK-RNFRBKRXSA-N -1 0 313.291 -0.283 20 0 DBADRM CCc1cc(=O)[nH]c(CN2CCO[C@@H](CS(C)(=O)=O)C2)n1 ZINC000933638644 664257204 /nfs/dbraw/zinc/25/72/04/664257204.db2.gz ATHZOJRGAVTWBW-LLVKDONJSA-N -1 0 315.395 -0.010 20 0 DBADRM CN(CCCN=c1nn[n-]n1Cc1ccccc1)S(C)(=O)=O ZINC000891805115 664264857 /nfs/dbraw/zinc/26/48/57/664264857.db2.gz DKMAOCUEFHPXKQ-UHFFFAOYSA-N -1 0 324.410 -0.163 20 0 DBADRM CN1CC[C@H](C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1(=O)=O ZINC000910434399 674606658 /nfs/dbraw/zinc/60/66/58/674606658.db2.gz ISSXQCKFFLJVKZ-NKWVEPMBSA-N -1 0 312.294 -0.659 20 0 DBADRM CCn1nncc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038233365 664293669 /nfs/dbraw/zinc/29/36/69/664293669.db2.gz FURINQMADDFWJY-QMMMGPOBSA-N -1 0 306.330 -0.874 20 0 DBADRM O=C(CN1CSCC1=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC000910460283 674608186 /nfs/dbraw/zinc/60/81/86/674608186.db2.gz ZGAIYCBFGQMBEX-SNVBAGLBSA-N -1 0 316.379 -0.095 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)NCCCOC[C@@H]1CCOC1 ZINC000866856930 664307179 /nfs/dbraw/zinc/30/71/79/664307179.db2.gz RDKXFJYEJBXJTR-JTQLQIEISA-N -1 0 314.429 -0.008 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000972125253 664336706 /nfs/dbraw/zinc/33/67/06/664336706.db2.gz QQQCLJOCSOQSSZ-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CC(C)CN(CCC(=O)[O-])C(=O)CN1CCCS1(=O)=O ZINC000262085311 664345322 /nfs/dbraw/zinc/34/53/22/664345322.db2.gz FUAPCORAWXGLJZ-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000972244493 664357574 /nfs/dbraw/zinc/35/75/74/664357574.db2.gz DXFJURBNENHAPZ-QMMMGPOBSA-N -1 0 321.341 -0.704 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1C(=O)[O-] ZINC000910498430 674614498 /nfs/dbraw/zinc/61/44/98/674614498.db2.gz VVICFHQGOMCDLK-YNRVRDPVSA-N -1 0 322.361 -0.152 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC/C=C\Cl)C1 ZINC000910495487 674614757 /nfs/dbraw/zinc/61/47/57/674614757.db2.gz JDVOCVFUXCLSAX-QQHVMHFCSA-N -1 0 304.730 -0.195 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000262164720 664376299 /nfs/dbraw/zinc/37/62/99/664376299.db2.gz NGHLFYMQQMSJNA-NSHDSACASA-N -1 0 322.408 -0.512 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)CCOCC1 ZINC000910533374 674616628 /nfs/dbraw/zinc/61/66/28/674616628.db2.gz HXQQJIOOTFZZJH-LLVKDONJSA-N -1 0 310.350 -0.005 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)C(=O)[O-] ZINC000158416252 664406635 /nfs/dbraw/zinc/40/66/35/664406635.db2.gz LNIANUPOWRZXPP-YVZVNANGSA-N -1 0 302.352 -0.344 20 0 DBADRM Cc1cnc(C(=O)[N-]NC(=O)c2ccc(-n3cnnn3)cc2)cn1 ZINC000023159715 664410928 /nfs/dbraw/zinc/41/09/28/664410928.db2.gz KSJNNTWESJXQJA-UHFFFAOYSA-N -1 0 324.304 -0.164 20 0 DBADRM O=C(CN1CSCC1=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC000910579085 674619722 /nfs/dbraw/zinc/61/97/22/674619722.db2.gz CFNYXPXZWRMOJR-RKDXNWHRSA-N -1 0 302.352 -0.342 20 0 DBADRM CC1(C(=O)N2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)CC1 ZINC001011242412 664428724 /nfs/dbraw/zinc/42/87/24/664428724.db2.gz XEWINUBNGPJQAW-UHFFFAOYSA-N -1 0 307.310 -0.633 20 0 DBADRM C[C@@](O)(CNC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)[O-] ZINC000262340935 664454691 /nfs/dbraw/zinc/45/46/91/664454691.db2.gz AIJIAYNCZSQZEA-IINYFYTJSA-N -1 0 308.290 -0.272 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)COCC(F)(F)F ZINC000910759053 674641244 /nfs/dbraw/zinc/64/12/44/674641244.db2.gz GARTWDHXPPYKJV-ZETCQYMHSA-N -1 0 312.244 -0.243 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1 ZINC000910790066 674643028 /nfs/dbraw/zinc/64/30/28/674643028.db2.gz IXVADXBGASPZKZ-JZYVYDRUSA-N -1 0 301.364 -0.010 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000910795487 674643916 /nfs/dbraw/zinc/64/39/16/674643916.db2.gz XDHKNBFCSLSMKO-RGOKHQFPSA-N -1 0 302.352 -0.801 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000910794088 674643992 /nfs/dbraw/zinc/64/39/92/674643992.db2.gz AVDQUKJTNNKBAB-ZRUFSTJUSA-N -1 0 316.379 -0.411 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C(C)C)[C@H](O)C2)c1[O-] ZINC000991289605 674650133 /nfs/dbraw/zinc/65/01/33/674650133.db2.gz DGBXIOPQZVFFGC-VHSXEESVSA-N -1 0 310.354 -0.229 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000910839136 674647326 /nfs/dbraw/zinc/64/73/26/674647326.db2.gz BQOVWDWXENUZSJ-UMNHJUIQSA-N -1 0 318.395 -0.163 20 0 DBADRM C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949737268 664811145 /nfs/dbraw/zinc/81/11/45/664811145.db2.gz ATOAEDGZVOBURQ-NSHDSACASA-N -1 0 308.386 -0.361 20 0 DBADRM O=C(NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCOC1 ZINC001023263932 664812222 /nfs/dbraw/zinc/81/22/22/664812222.db2.gz DRZPRJYSCZOMLF-GHMZBOCLSA-N -1 0 309.370 -0.125 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C(C)(C)F)C[C@H]2O)c1[O-] ZINC001023411825 664824181 /nfs/dbraw/zinc/82/41/81/664824181.db2.gz ISFBBTSZGSWZGC-HTQZYQBOSA-N -1 0 314.317 -0.527 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3CCCC3)C[C@H]2O)c1[O-] ZINC001023413833 664824655 /nfs/dbraw/zinc/82/46/55/664824655.db2.gz UDJLETJDNYBVAC-GHMZBOCLSA-N -1 0 322.365 -0.085 20 0 DBADRM CC[C@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001023422303 664825381 /nfs/dbraw/zinc/82/53/81/664825381.db2.gz KQDMVZQIRCMGRZ-DJLDLDEBSA-N -1 0 314.317 -0.527 20 0 DBADRM O=C(NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1nnc[nH]1 ZINC001023657416 664847726 /nfs/dbraw/zinc/84/77/26/664847726.db2.gz PVPINQUCLFONJI-MRVPVSSYSA-N -1 0 306.330 -0.730 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)N(C)CC)C1 ZINC000744241603 664852320 /nfs/dbraw/zinc/85/23/20/664852320.db2.gz KROXVIVJYODKAN-JTQLQIEISA-N -1 0 305.400 -0.052 20 0 DBADRM Cc1nonc1CC(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000972643787 664852470 /nfs/dbraw/zinc/85/24/70/664852470.db2.gz DIUQQKQOLWXCGW-VIFPVBQESA-N -1 0 321.341 -0.523 20 0 DBADRM C[C@](O)(CNC(=O)CCOc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000262453889 664854492 /nfs/dbraw/zinc/85/44/92/664854492.db2.gz WKKJQTPLZDBOFC-AWEZNQCLSA-N -1 0 310.306 -0.494 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N(C)CCCC(=O)[O-] ZINC000262668746 664854854 /nfs/dbraw/zinc/85/48/54/664854854.db2.gz WRDPCEXEGUOLHW-UHFFFAOYSA-N -1 0 301.343 -0.658 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263243513 664856376 /nfs/dbraw/zinc/85/63/76/664856376.db2.gz RYDMXNMXAIRJIT-BBBLOLIVSA-N -1 0 306.384 -0.165 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3(C)CC3)C2)c1[O-] ZINC001024088928 664872168 /nfs/dbraw/zinc/87/21/68/664872168.db2.gz FUHPUZWIYGMKMU-RKDXNWHRSA-N -1 0 308.338 -0.475 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000972835977 664877483 /nfs/dbraw/zinc/87/74/83/664877483.db2.gz WGUUFNRELCGNDP-SECBINFHSA-N -1 0 305.342 -0.126 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1CCOC1 ZINC000972847316 664877775 /nfs/dbraw/zinc/87/77/75/664877775.db2.gz VWEAIYHXWXXMMN-NXEZZACHSA-N -1 0 309.370 -0.127 20 0 DBADRM Cn1[nH]c(CN2C[C@H](NC(=O)c3cocn3)C(C)(C)C2)nc1=O ZINC000972860888 664877883 /nfs/dbraw/zinc/87/78/83/664877883.db2.gz VDNBZEHUZMBWSG-JTQLQIEISA-N -1 0 320.353 -0.263 20 0 DBADRM O=C(NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)C1=COCCO1 ZINC001024315772 664884526 /nfs/dbraw/zinc/88/45/26/664884526.db2.gz AMZTVUIIOPXUPD-JTQLQIEISA-N -1 0 323.353 -0.131 20 0 DBADRM Cn1nncc1C(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001024418076 664887333 /nfs/dbraw/zinc/88/73/33/664887333.db2.gz CJICOACYGRYOEE-VIFPVBQESA-N -1 0 320.357 -0.577 20 0 DBADRM Cn1nncc1C(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001024418075 664887384 /nfs/dbraw/zinc/88/73/84/664887384.db2.gz CJICOACYGRYOEE-SECBINFHSA-N -1 0 320.357 -0.577 20 0 DBADRM CC(C)(F)C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000972887805 664887903 /nfs/dbraw/zinc/88/79/03/664887903.db2.gz BVDBNLPXGPFMTM-IZLXSQMJSA-N -1 0 313.289 -0.592 20 0 DBADRM Cn1cc(CC(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001006893724 664889615 /nfs/dbraw/zinc/88/96/15/664889615.db2.gz WZBAUOJOCVWQJW-LLVKDONJSA-N -1 0 319.369 -0.433 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000972924512 664894220 /nfs/dbraw/zinc/89/42/20/664894220.db2.gz QEAYKWPJGLPNPQ-FNCVBFRFSA-N -1 0 309.326 -0.891 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000972928963 664894495 /nfs/dbraw/zinc/89/44/95/664894495.db2.gz ITAFGLYZYGSZHQ-XKNYDFJKSA-N -1 0 320.349 -0.481 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000972928964 664894556 /nfs/dbraw/zinc/89/45/56/664894556.db2.gz ITAFGLYZYGSZHQ-ZYUZMQFOSA-N -1 0 320.349 -0.481 20 0 DBADRM C[C@]1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)CC=CCC1 ZINC001024547541 664896758 /nfs/dbraw/zinc/89/67/58/664896758.db2.gz BUJSWZCYMRUNFS-JMSVASOKSA-N -1 0 319.365 -0.147 20 0 DBADRM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1)C1CCCC1 ZINC001024547991 664896779 /nfs/dbraw/zinc/89/67/79/664896779.db2.gz NALRXWGZXPXGQQ-OASPWFOLSA-N -1 0 321.381 -0.068 20 0 DBADRM Cn1c2cc(C(=O)[N-]S(=O)(=O)N3CCCC3)ccc2[nH]c1=O ZINC000153233833 664903426 /nfs/dbraw/zinc/90/34/26/664903426.db2.gz RZZJKQFCVGKUQL-UHFFFAOYSA-N -1 0 324.362 -0.063 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cn[nH]n2)CCN1C(=O)c1cnsn1 ZINC001011531000 664946193 /nfs/dbraw/zinc/94/61/93/664946193.db2.gz XOLRIQVYZASRMK-NKWVEPMBSA-N -1 0 307.339 -0.311 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CN([C@H]3CCNC3=O)CC2(C)C)c1[O-] ZINC000973043644 664951838 /nfs/dbraw/zinc/95/18/38/664951838.db2.gz PLDKPMWPURSCBQ-UWVGGRQHSA-N -1 0 321.381 -0.248 20 0 DBADRM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000973136968 664994600 /nfs/dbraw/zinc/99/46/00/664994600.db2.gz GSVOPECFEXQCFQ-FTLITQJKSA-N -1 0 321.337 -0.294 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)Cc3c[nH]cn3)C2)c1[O-] ZINC000973178705 665001162 /nfs/dbraw/zinc/00/11/62/665001162.db2.gz HMDKQKUVKMBBTF-KYZUINATSA-N -1 0 318.337 -0.233 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3nnc[nH]3)C2)c1[O-] ZINC000973180341 665001292 /nfs/dbraw/zinc/00/12/92/665001292.db2.gz KUONPFVJONEHOX-LJGSYFOKSA-N -1 0 305.298 -0.767 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3n[nH]cc3F)C2)c1[O-] ZINC000973181996 665001769 /nfs/dbraw/zinc/00/17/69/665001769.db2.gz SZUVOSCPHSDMHC-LJGSYFOKSA-N -1 0 322.300 -0.023 20 0 DBADRM CC(=O)N1CC[C@H](C)[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001018451304 665007089 /nfs/dbraw/zinc/00/70/89/665007089.db2.gz SSKVOOCFHGANLI-CBAPKCEASA-N -1 0 309.326 -0.483 20 0 DBADRM NC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001025262972 665011712 /nfs/dbraw/zinc/01/17/12/665011712.db2.gz HSWSPMOCJOPBJT-ZJUUUORDSA-N -1 0 322.369 -0.659 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)c1cn[nH]n1 ZINC000936222539 665031364 /nfs/dbraw/zinc/03/13/64/665031364.db2.gz KFZMKNWKLYBIGO-BFLSOPEQSA-N -1 0 305.338 -0.297 20 0 DBADRM CC1(C(=O)N[C@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CCC1 ZINC000973491291 665041396 /nfs/dbraw/zinc/04/13/96/665041396.db2.gz TVFGJZPFHCTTSD-KYZUINATSA-N -1 0 323.353 -0.357 20 0 DBADRM C[C@@H](NC(=O)c1cn[nH]n1)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001025464985 665053731 /nfs/dbraw/zinc/05/37/31/665053731.db2.gz MMNVDYAQWGBCMX-RKDXNWHRSA-N -1 0 320.357 -0.341 20 0 DBADRM CC(=O)N1CCC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@@H]21 ZINC000973693428 665058624 /nfs/dbraw/zinc/05/86/24/665058624.db2.gz IDCVPYGDMDWTDM-ZJUUUORDSA-N -1 0 321.337 -0.244 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cccn2nccc12 ZINC000892744511 665061634 /nfs/dbraw/zinc/06/16/34/665061634.db2.gz KTRAAUKTRLBDNZ-UHFFFAOYSA-N -1 0 310.335 -0.359 20 0 DBADRM CO[C@]1(C(=O)[N-]S(=O)(=O)N2CCOCC2)CCSC1 ZINC000892744523 665061643 /nfs/dbraw/zinc/06/16/43/665061643.db2.gz KXGDXQVNXUMKSE-SNVBAGLBSA-N -1 0 310.397 -0.798 20 0 DBADRM CCO[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001025694508 665078256 /nfs/dbraw/zinc/07/82/56/665078256.db2.gz GRNSXBWULULQLW-RWHSBRQSSA-N -1 0 307.354 -0.518 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC34CC4)C2)c1[O-] ZINC001025788140 665086237 /nfs/dbraw/zinc/08/62/37/665086237.db2.gz HHIQUYLWMPZMKF-IVZWLZJFSA-N -1 0 320.349 -0.475 20 0 DBADRM COc1ccc(S(=O)(=O)NC/C=C\C(=O)[O-])cc1C(N)=O ZINC000314204361 665086985 /nfs/dbraw/zinc/08/69/85/665086985.db2.gz QAYMZIYTBZIDLP-IHWYPQMZSA-N -1 0 314.319 -0.287 20 0 DBADRM CC(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C12CCC2 ZINC001025828236 665091950 /nfs/dbraw/zinc/09/19/50/665091950.db2.gz QUMOKEUNHOGZMF-JGVFFNPUSA-N -1 0 307.310 -0.540 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C(F)F)OC ZINC000853207788 665108029 /nfs/dbraw/zinc/10/80/29/665108029.db2.gz JQPSUCVYBHBEQJ-FXQIFTODSA-N -1 0 301.311 -0.005 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](NC(=O)c2ccco2)C1 ZINC000973807610 665123370 /nfs/dbraw/zinc/12/33/70/665123370.db2.gz VRXGVURZKWHPMK-OCAPTIKFSA-N -1 0 321.293 -0.641 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1(C)C ZINC001007764496 665123861 /nfs/dbraw/zinc/12/38/61/665123861.db2.gz SEXXTFHDVSSXRA-SNVBAGLBSA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001026123363 665125728 /nfs/dbraw/zinc/12/57/28/665125728.db2.gz HWGUMLNUABDRRI-KUNJHIDRSA-N -1 0 307.354 -0.518 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)C1 ZINC000035680399 665148040 /nfs/dbraw/zinc/14/80/40/665148040.db2.gz PQFUWULDQQJFDS-TXEJJXNPSA-N -1 0 319.427 -0.089 20 0 DBADRM CC1CC(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000974009653 665155619 /nfs/dbraw/zinc/15/56/19/665155619.db2.gz SUMYHIVNBUCWHC-OXYCZDQYSA-N -1 0 323.353 -0.501 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3ncc[nH]3)C2)c1[O-] ZINC000974032366 665158632 /nfs/dbraw/zinc/15/86/32/665158632.db2.gz IRSPQERKHXCKMN-DTORHVGOSA-N -1 0 318.337 -0.233 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncc[nH]3)C2)c1[O-] ZINC000974037771 665158753 /nfs/dbraw/zinc/15/87/53/665158753.db2.gz GTOVFZMHQMLCDI-OCAPTIKFSA-N -1 0 304.310 -0.162 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000974039304 665159682 /nfs/dbraw/zinc/15/96/82/665159682.db2.gz YVNCBGCSXLFYMF-GJMOJQLCSA-N -1 0 321.337 -0.294 20 0 DBADRM COC1(C(=O)[O-])CCN(S(=O)(=O)c2c[nH]c(C)n2)CC1 ZINC000312244986 665170854 /nfs/dbraw/zinc/17/08/54/665170854.db2.gz LDFHMNTYBLIRMT-UHFFFAOYSA-N -1 0 303.340 -0.028 20 0 DBADRM O=C(N[C@H]1C[C@@H](NC(=O)c2cn3c(n2)CCC3)C1)c1cn[nH]n1 ZINC000974185361 665177066 /nfs/dbraw/zinc/17/70/66/665177066.db2.gz NJSBXKCGQVXQMN-DTORHVGOSA-N -1 0 315.337 -0.362 20 0 DBADRM Cc1c(CC(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)cnn1C ZINC000974203983 665178501 /nfs/dbraw/zinc/17/85/01/665178501.db2.gz ORGIZLMEWZPYIA-PHIMTYICSA-N -1 0 317.353 -0.534 20 0 DBADRM CN(CC(=O)[N-]O[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000725897763 665186694 /nfs/dbraw/zinc/18/66/94/665186694.db2.gz HLEWBLYWFGVMBF-CMPLNLGQSA-N -1 0 306.384 -0.320 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000974336206 665193802 /nfs/dbraw/zinc/19/38/02/665193802.db2.gz SPZIVCSOVJEKSK-XSPKLOCKSA-N -1 0 321.337 -0.294 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000974347978 665195116 /nfs/dbraw/zinc/19/51/16/665195116.db2.gz AMBNXFCZFLTWOW-DOLQZWNJSA-N -1 0 323.353 -0.501 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000974348043 665195233 /nfs/dbraw/zinc/19/52/33/665195233.db2.gz FIEIWWKOUGEHOX-RGOKHQFPSA-N -1 0 323.353 -0.501 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(CC(=O)[O-])C1CC1 ZINC000330363026 665210092 /nfs/dbraw/zinc/21/00/92/665210092.db2.gz GCYJSUHWMYSKHH-UHFFFAOYSA-N -1 0 304.306 -0.051 20 0 DBADRM CCn1cc(S(=O)(=O)NCc2nnn(C)n2)cc1C(=O)[O-] ZINC000398087880 665211746 /nfs/dbraw/zinc/21/17/46/665211746.db2.gz OKUJYQPIFIETOG-UHFFFAOYSA-N -1 0 314.327 -0.792 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC(C)(CO)CO ZINC000194471500 665221988 /nfs/dbraw/zinc/22/19/88/665221988.db2.gz OYHZVERHLFUBBD-ZETCQYMHSA-N -1 0 300.277 -0.451 20 0 DBADRM CC(C)C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974630356 665236008 /nfs/dbraw/zinc/23/60/08/665236008.db2.gz KPGZZNOKCQEWHL-RKDXNWHRSA-N -1 0 321.337 -0.388 20 0 DBADRM O=C(N1CC[C@@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1)[C@]1(F)CCOC1 ZINC001027019596 665256073 /nfs/dbraw/zinc/25/60/73/665256073.db2.gz HPMWQVOGRBWJGM-ZANVPECISA-N -1 0 313.333 -0.423 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC000974907986 665259005 /nfs/dbraw/zinc/25/90/05/665259005.db2.gz ZZDJTXHFYBAKAX-QMMMGPOBSA-N -1 0 320.357 -0.423 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(F)F)c1[O-] ZINC000976014185 665317559 /nfs/dbraw/zinc/31/75/59/665317559.db2.gz WXPDNXXXLPOPDP-ZMONIFLSSA-N -1 0 300.265 -0.125 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000976103650 665325537 /nfs/dbraw/zinc/32/55/37/665325537.db2.gz XRILMANNZRKPPI-HXLXBVJFSA-N -1 0 319.321 -0.875 20 0 DBADRM CO[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-] ZINC000976363218 665352965 /nfs/dbraw/zinc/35/29/65/665352965.db2.gz NPGUWDBWSARTMA-AXTSPUMRSA-N -1 0 308.338 -0.355 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccon4)C[C@H]32)c1[O-] ZINC000976365589 665352970 /nfs/dbraw/zinc/35/29/70/665352970.db2.gz RMDIMMWBNHOAFW-MBTKJCJQSA-N -1 0 317.305 -0.088 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N[C@]1(C(=O)[O-])CCSC1)CC2 ZINC000909357589 665357077 /nfs/dbraw/zinc/35/70/77/665357077.db2.gz NTQZPOGFEVRUMK-AMIZOPFISA-N -1 0 310.379 -0.004 20 0 DBADRM O=C(CN1CCCC1=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001006709413 665358719 /nfs/dbraw/zinc/35/87/19/665358719.db2.gz ZMXBLTSVMNSMPD-SNVBAGLBSA-N -1 0 322.369 -0.787 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC001027428650 665394100 /nfs/dbraw/zinc/39/41/00/665394100.db2.gz ZURLFICZIFPCSM-SNVBAGLBSA-N -1 0 320.357 -0.775 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1C1CC1 ZINC000911324060 674706521 /nfs/dbraw/zinc/70/65/21/674706521.db2.gz ZSRNTXDRQIJRIT-MLGHIDQZSA-N -1 0 322.361 -0.008 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000976888264 665403328 /nfs/dbraw/zinc/40/33/28/665403328.db2.gz FPDKWKSRZNEAOD-HXLXBVJFSA-N -1 0 319.321 -0.875 20 0 DBADRM CO[C@@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])C1CC1 ZINC000911363728 674710260 /nfs/dbraw/zinc/71/02/60/674710260.db2.gz GISPQBYWKOSXNR-CYBMUJFWSA-N -1 0 300.355 -0.343 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC000911543530 674736932 /nfs/dbraw/zinc/73/69/32/674736932.db2.gz WJGULSWWEWMBRX-WDEREUQCSA-N -1 0 316.379 -0.266 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC000911641084 674742630 /nfs/dbraw/zinc/74/26/30/674742630.db2.gz YZKXKIGJWCVGID-KXUCPTDWSA-N -1 0 302.352 -0.656 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-])CC2 ZINC000911632015 674743171 /nfs/dbraw/zinc/74/31/71/674743171.db2.gz VFXBLFRTPSSMHG-ICCXJUOJSA-N -1 0 307.350 -0.039 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000911742648 674746713 /nfs/dbraw/zinc/74/67/13/674746713.db2.gz LPNFJLBKTHCHKZ-NXEZZACHSA-N -1 0 306.384 -0.020 20 0 DBADRM CO[C@H]1CN(C(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)[C@@](C)(CO)C1 ZINC000911793463 674747307 /nfs/dbraw/zinc/74/73/07/674747307.db2.gz VVHLLLTYYOBSQC-MZODFIPJSA-N -1 0 301.339 -0.137 20 0 DBADRM C[C@@H]1[C@@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)[C@@H](C)C(=O)N1C ZINC000912013019 674754984 /nfs/dbraw/zinc/75/49/84/674754984.db2.gz LRQOLXYXVMKBTO-HLTSFMKQSA-N -1 0 308.338 -0.434 20 0 DBADRM CCCC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC000991388544 674776298 /nfs/dbraw/zinc/77/62/98/674776298.db2.gz LBXVQBORDBIQFN-UWVGGRQHSA-N -1 0 310.354 -0.085 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000912558217 674777672 /nfs/dbraw/zinc/77/76/72/674777672.db2.gz MNQLEUGCFUTXHC-LLVKDONJSA-N -1 0 317.323 -0.176 20 0 DBADRM COC(=O)CCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000913074732 674790194 /nfs/dbraw/zinc/79/01/94/674790194.db2.gz XIMUVZCLWLLZIO-UHFFFAOYSA-N -1 0 304.324 -0.045 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000991411463 674787334 /nfs/dbraw/zinc/78/73/34/674787334.db2.gz QEPBNJGYRZJMTR-DTWKUNHWSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCS(C)(=O)=O ZINC000055311931 674806219 /nfs/dbraw/zinc/80/62/19/674806219.db2.gz OIOVRFOWROOCGJ-UHFFFAOYSA-N -1 0 311.337 -0.391 20 0 DBADRM C[C@H]1C[C@H](NC(=O)Cc2ncc[nH]2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947860844 674809890 /nfs/dbraw/zinc/80/98/90/674809890.db2.gz AJIIGNKQYLAOTK-VHSXEESVSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)CCS(C)(=O)=O ZINC000164895145 674810911 /nfs/dbraw/zinc/81/09/11/674810911.db2.gz UDRDGWYZIWKYFD-SCZZXKLOSA-N -1 0 313.397 -0.406 20 0 DBADRM CCNS(=O)(=O)c1ccc(F)c(C(=O)[N-]NC(=O)NC)c1 ZINC000056376867 674812811 /nfs/dbraw/zinc/81/28/11/674812811.db2.gz JTNXBFUMRRTMGS-UHFFFAOYSA-N -1 0 318.330 -0.302 20 0 DBADRM Cn1[nH]c(CN2CC(NC(=O)Cc3ccsc3)C2)nc1=O ZINC001030069412 674817732 /nfs/dbraw/zinc/81/77/32/674817732.db2.gz HIIDJHMGGJWCEZ-UHFFFAOYSA-N -1 0 307.379 -0.287 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC000991562690 674817881 /nfs/dbraw/zinc/81/78/81/674817881.db2.gz ZYOYHMQLYVSBPY-ZSBMJCTGSA-N -1 0 320.349 -0.160 20 0 DBADRM CCOC(=O)N[N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000045780186 674839802 /nfs/dbraw/zinc/83/98/02/674839802.db2.gz CALURMFYCIGQPU-UHFFFAOYSA-N -1 0 306.300 -0.474 20 0 DBADRM Cc1cccnc1C(=O)NC1CN(Cc2nn(C)c(=O)[n-]2)C1 ZINC001030193698 674842371 /nfs/dbraw/zinc/84/23/71/674842371.db2.gz AQOOWCOZUSBLSD-UHFFFAOYSA-N -1 0 302.338 -0.574 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2cscn2)C[C@H]1O)c1cn[nH]n1 ZINC000991604355 674842903 /nfs/dbraw/zinc/84/29/03/674842903.db2.gz SOYSYOBTIVOVRH-OIBJUYFYSA-N -1 0 322.350 -0.733 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)C2CC=CC2)C[C@@H]1O)c1cn[nH]n1 ZINC000991604850 674843339 /nfs/dbraw/zinc/84/33/39/674843339.db2.gz UHMGBPNXZYBVKJ-PWSUYJOCSA-N -1 0 305.338 -0.538 20 0 DBADRM Cc1cc[nH]c1C(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC000991606723 674843605 /nfs/dbraw/zinc/84/36/05/674843605.db2.gz ZHCQHKQFGNKVPB-ONGXEEELSA-N -1 0 318.337 -0.553 20 0 DBADRM Cc1coc(C(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)[C@H](O)C2)c1 ZINC000991606152 674843642 /nfs/dbraw/zinc/84/36/42/674843642.db2.gz XWLKGDXYDWRUSV-GXSJLCMTSA-N -1 0 319.321 -0.288 20 0 DBADRM COc1cc[nH]c(=NNS(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000046071489 674847628 /nfs/dbraw/zinc/84/76/28/674847628.db2.gz NTHGVXGVTOEWPI-UHFFFAOYSA-N -1 0 324.318 -0.089 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C[C@@H]3CCc4ncnn43)C2)c1[O-] ZINC001030222430 674846645 /nfs/dbraw/zinc/84/66/45/674846645.db2.gz OPIYVUJKNOFFEO-JTQLQIEISA-N -1 0 317.353 -0.383 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN([C@H](C)c3nncn3C)C2)c1[O-] ZINC001030222603 674846998 /nfs/dbraw/zinc/84/69/98/674846998.db2.gz QTUJEMSLFLAQPX-MRVPVSSYSA-N -1 0 305.342 -0.273 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN([C@@H]3CCN(C(C)C)C3=O)C2)c1[O-] ZINC001030221992 674847001 /nfs/dbraw/zinc/84/70/01/674847001.db2.gz BLBFMKOGCYPGPJ-LLVKDONJSA-N -1 0 321.381 -0.153 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(Cc3nnnn3C3CC3)C2)c1[O-] ZINC001030225149 674847101 /nfs/dbraw/zinc/84/71/01/674847101.db2.gz QURBJQMNLUHNTR-UHFFFAOYSA-N -1 0 318.341 -0.641 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000991661271 674860795 /nfs/dbraw/zinc/86/07/95/674860795.db2.gz JAXPXMVFKCOSKQ-PSASIEDQSA-N -1 0 315.333 -0.381 20 0 DBADRM CC(C)Cn1nccc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030384649 674875343 /nfs/dbraw/zinc/87/53/43/674875343.db2.gz RBIRYIISYSZFLX-UHFFFAOYSA-N -1 0 319.369 -0.023 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn2c1CCC2 ZINC001030404066 674881613 /nfs/dbraw/zinc/88/16/13/674881613.db2.gz IXQVFNHYJCHZNW-UHFFFAOYSA-N -1 0 303.326 -0.733 20 0 DBADRM Cn1ncc(C2CC2)c1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030422699 674886497 /nfs/dbraw/zinc/88/64/97/674886497.db2.gz GEUTWCWMBFFJKF-UHFFFAOYSA-N -1 0 317.353 -0.265 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCn2ccnc2C1 ZINC001030553994 674904754 /nfs/dbraw/zinc/90/47/54/674904754.db2.gz HOYFUHUVOJFHGT-VIFPVBQESA-N -1 0 317.353 -0.730 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CC(CNC(=O)C2CCC2)C1 ZINC000991848287 674905157 /nfs/dbraw/zinc/90/51/57/674905157.db2.gz VUVFNLBGZUNTMA-UHFFFAOYSA-N -1 0 323.353 -0.500 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1n[nH]c2c1CCCC2 ZINC001030598657 674910252 /nfs/dbraw/zinc/91/02/52/674910252.db2.gz AJYXWXONONRGMQ-UHFFFAOYSA-N -1 0 317.353 -0.274 20 0 DBADRM Cc1csc(=O)n1CCN1CC(NC(=O)c2cn[nH]n2)C1 ZINC001030601672 674910855 /nfs/dbraw/zinc/91/08/55/674910855.db2.gz VHHIPCHFLDJDCF-UHFFFAOYSA-N -1 0 308.367 -0.549 20 0 DBADRM O=C(NC1CN(Cc2ccc(F)cn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030616757 674913191 /nfs/dbraw/zinc/91/31/91/674913191.db2.gz HNGZAWDHNUIIRU-UHFFFAOYSA-N -1 0 320.284 -0.569 20 0 DBADRM O=C(NC1CN(CC[C@@H]2CCCCO2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030615979 674913194 /nfs/dbraw/zinc/91/31/94/674913194.db2.gz BFJCMIAWYPRKLY-JTQLQIEISA-N -1 0 323.353 -0.344 20 0 DBADRM Cc1nc(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)oc1C ZINC001030618867 674913730 /nfs/dbraw/zinc/91/37/30/674913730.db2.gz XFTXKGNMAIUZPY-UHFFFAOYSA-N -1 0 320.309 -0.498 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)nnn3C)cn1 ZINC000171565693 674914834 /nfs/dbraw/zinc/91/48/34/674914834.db2.gz LDEIQTZIKSJOCN-UHFFFAOYSA-N -1 0 320.334 -0.180 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC2CN(C[C@H](C)O)C2)cc1=O ZINC001030625029 674914906 /nfs/dbraw/zinc/91/49/06/674914906.db2.gz YLUKOOAASHTTMD-NSHDSACASA-N -1 0 310.398 -0.444 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC2CN(CCCO)C2)cc1=O ZINC001030624513 674914925 /nfs/dbraw/zinc/91/49/25/674914925.db2.gz JDHUUYVOSJGMOQ-UHFFFAOYSA-N -1 0 310.398 -0.442 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)Cn2cncn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000948013423 674914976 /nfs/dbraw/zinc/91/49/76/674914976.db2.gz WFHZCIZVTJHFLZ-ZJUUUORDSA-N -1 0 320.357 -0.729 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc2nccn2c1 ZINC001030680423 674922327 /nfs/dbraw/zinc/92/23/27/674922327.db2.gz GENGABNBZIALRS-UHFFFAOYSA-N -1 0 314.309 -0.833 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CC(NC(=O)c3nnc[nH]3)C2)c1[O-] ZINC000992033684 674933635 /nfs/dbraw/zinc/93/36/35/674933635.db2.gz WXDUPXUFMVOOCW-UHFFFAOYSA-N -1 0 319.325 -0.520 20 0 DBADRM O=C(NCC1CC(NC(=O)C2CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000992249092 674978039 /nfs/dbraw/zinc/97/80/39/674978039.db2.gz FAADDSWQJWBMGA-UHFFFAOYSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000992248976 674978352 /nfs/dbraw/zinc/97/83/52/674978352.db2.gz CPYRZXHUXCXJMU-MDVIFZSFSA-N -1 0 321.337 -0.437 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000992248972 674978419 /nfs/dbraw/zinc/97/84/19/674978419.db2.gz CPYRZXHUXCXJMU-KRTGUUSXSA-N -1 0 321.337 -0.437 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007111940 674999813 /nfs/dbraw/zinc/99/98/13/674999813.db2.gz LWJUBUJGLVIMNH-ZJUUUORDSA-N -1 0 323.353 -0.456 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCc2nc[nH]c21 ZINC001030936650 675002303 /nfs/dbraw/zinc/00/23/03/675002303.db2.gz TVKLTGZHMIGMIG-VIFPVBQESA-N -1 0 317.353 -0.346 20 0 DBADRM COCC(=O)N1C[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@]2(C)C1 ZINC000992497571 675006887 /nfs/dbraw/zinc/00/68/87/675006887.db2.gz OOOZJHSSJQKVGE-ZUZCIYMTSA-N -1 0 322.365 -0.009 20 0 DBADRM Cn1cc([C@@H]2C[C@H]2C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001030988093 675020271 /nfs/dbraw/zinc/02/02/71/675020271.db2.gz LUMLHZHVVKZCLN-WDEREUQCSA-N -1 0 317.353 -0.652 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)Cc3ccc[nH]3)C2)c1[O-] ZINC000992616474 675021512 /nfs/dbraw/zinc/02/15/12/675021512.db2.gz FUZLFYIHZAZMSD-UHFFFAOYSA-N -1 0 303.322 -0.065 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000753944677 675027987 /nfs/dbraw/zinc/02/79/87/675027987.db2.gz DLZMSYITWDIUER-VXNVDRBHSA-N -1 0 318.301 0.000 20 0 DBADRM CCCN1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000730545663 675039330 /nfs/dbraw/zinc/03/93/30/675039330.db2.gz KKWMZCSMUKPQDD-UHFFFAOYSA-N -1 0 304.354 -0.375 20 0 DBADRM CC(C)N1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000730526059 675036746 /nfs/dbraw/zinc/03/67/46/675036746.db2.gz NMSNMPOXIUUIIR-UHFFFAOYSA-N -1 0 304.354 -0.376 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000730530484 675036796 /nfs/dbraw/zinc/03/67/96/675036796.db2.gz SCXXLRZTXVTJHJ-MRVPVSSYSA-N -1 0 305.294 -0.907 20 0 DBADRM O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762126112 675043763 /nfs/dbraw/zinc/04/37/63/675043763.db2.gz CAHYCTWGSMLMLZ-MNOVXSKESA-N -1 0 307.368 -0.336 20 0 DBADRM O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762126114 675044082 /nfs/dbraw/zinc/04/40/82/675044082.db2.gz CAHYCTWGSMLMLZ-WDEREUQCSA-N -1 0 307.368 -0.336 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCC(=O)c1ccc[nH]1 ZINC000730658168 675045787 /nfs/dbraw/zinc/04/57/87/675045787.db2.gz QVDCXSBWFVKTCG-UHFFFAOYSA-N -1 0 301.262 -0.175 20 0 DBADRM CCC(C)(C)NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730656138 675045808 /nfs/dbraw/zinc/04/58/08/675045808.db2.gz BXZHDMQBRGRMAU-UHFFFAOYSA-N -1 0 321.337 -0.081 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCCn1ccccc1=O ZINC000730694069 675046948 /nfs/dbraw/zinc/04/69/48/675046948.db2.gz IRVXDGDHVHFVHI-UHFFFAOYSA-N -1 0 315.289 -0.524 20 0 DBADRM CCc1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001031141762 675047446 /nfs/dbraw/zinc/04/74/46/675047446.db2.gz XMHJTQPOQMGMEE-UHFFFAOYSA-N -1 0 305.342 -0.580 20 0 DBADRM O=C(CC1CC1)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982349900 670516581 /nfs/dbraw/zinc/51/65/81/670516581.db2.gz UBQMWJQBCQZECD-SECBINFHSA-N -1 0 321.337 -0.339 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]NC(=O)c2ccccc2)cc1C(N)=O ZINC000028196238 670593108 /nfs/dbraw/zinc/59/31/08/670593108.db2.gz CZBBROFXSQPZFQ-UHFFFAOYSA-N -1 0 322.346 -0.253 20 0 DBADRM CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982464616 670593674 /nfs/dbraw/zinc/59/36/74/670593674.db2.gz DQCUAIPKAXPDDH-IUCAKERBSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732090616 677350895 /nfs/dbraw/zinc/35/08/95/677350895.db2.gz YKIYAVASOXOGKK-RKDXNWHRSA-N -1 0 310.358 -0.350 20 0 DBADRM CC1=C(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)C(=O)OC1(C)C ZINC000732090167 677350950 /nfs/dbraw/zinc/35/09/50/677350950.db2.gz OXOJSLUHZDZZBI-QMMMGPOBSA-N -1 0 307.310 -0.249 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000937077139 670722179 /nfs/dbraw/zinc/72/21/79/670722179.db2.gz YRXNBEZMDVALNG-WXLQGSQKSA-N -1 0 323.353 -0.285 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc[n+]([O-])cc1 ZINC001028391315 670723601 /nfs/dbraw/zinc/72/36/01/670723601.db2.gz HQOFPDRURONZIM-JTQLQIEISA-N -1 0 318.337 -0.604 20 0 DBADRM Cc1cnc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001028386521 670723814 /nfs/dbraw/zinc/72/38/14/670723814.db2.gz UZCMUZLWKFCCII-JTQLQIEISA-N -1 0 317.353 -0.139 20 0 DBADRM Nc1nccnc1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028454973 670786934 /nfs/dbraw/zinc/78/69/34/670786934.db2.gz OMFWZMBLSRLDTI-MRVPVSSYSA-N -1 0 318.341 -0.866 20 0 DBADRM Cn1cnc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001028480890 670805563 /nfs/dbraw/zinc/80/55/63/670805563.db2.gz KGYOIFXMSMMYSN-SECBINFHSA-N -1 0 305.342 -0.504 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC(O)CC1 ZINC001028511427 670824471 /nfs/dbraw/zinc/82/44/71/670824471.db2.gz SURTUHWJWXKANG-UNXYVOJBSA-N -1 0 323.397 -0.001 20 0 DBADRM CCn1nncc1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028525423 670831163 /nfs/dbraw/zinc/83/11/63/670831163.db2.gz GQTIGADZNOLNPA-VIFPVBQESA-N -1 0 320.357 -0.626 20 0 DBADRM Cc1cn(C)nc1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028536359 670833707 /nfs/dbraw/zinc/83/37/07/670833707.db2.gz ATTFBTFGUBMOBN-JTQLQIEISA-N -1 0 319.369 -0.196 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@]12C[C@H]1COC2 ZINC001028554303 670835669 /nfs/dbraw/zinc/83/56/69/670835669.db2.gz CZQOZGQEBDGBQU-BHDSKKPTSA-N -1 0 307.354 -0.515 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)C2CC2)o1 ZINC000047440668 670850943 /nfs/dbraw/zinc/85/09/43/670850943.db2.gz VABPGWOUZCISDA-UHFFFAOYSA-N -1 0 301.324 -0.299 20 0 DBADRM C[C@H]1OCC[C@@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000982826233 670883368 /nfs/dbraw/zinc/88/33/68/670883368.db2.gz MPINCDSDJPDFQW-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(N[C@H]1C[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1)C1CCOCC1 ZINC000982991300 670918606 /nfs/dbraw/zinc/91/86/06/670918606.db2.gz HCFYCYALDUWDPW-HOMQSWHASA-N -1 0 309.370 -0.079 20 0 DBADRM O=C(NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000983032098 670928583 /nfs/dbraw/zinc/92/85/83/670928583.db2.gz GUGFPXYJIBLCFQ-ZETCQYMHSA-N -1 0 307.310 -0.729 20 0 DBADRM O=C(NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCC1 ZINC000983033795 670929672 /nfs/dbraw/zinc/92/96/72/670929672.db2.gz RIKOYXSPIJAKEC-QMMMGPOBSA-N -1 0 321.337 -0.339 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2ccccn2)o1 ZINC000047932121 670946659 /nfs/dbraw/zinc/94/66/59/670946659.db2.gz BMWJXBHSEDAFAC-UHFFFAOYSA-N -1 0 310.291 -0.603 20 0 DBADRM CC(=O)NC[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000983110150 670950817 /nfs/dbraw/zinc/95/08/17/670950817.db2.gz LFCDQQCDPCNMEO-JTQLQIEISA-N -1 0 318.337 -0.944 20 0 DBADRM Cc1n[nH]cc1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028725202 671001337 /nfs/dbraw/zinc/00/13/37/671001337.db2.gz CLXIHBVMMVGYSY-VIFPVBQESA-N -1 0 305.342 -0.206 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028728496 671005113 /nfs/dbraw/zinc/00/51/13/671005113.db2.gz UFIMEKJMMYSBAY-QMMMGPOBSA-N -1 0 306.330 -0.811 20 0 DBADRM Cc1cnn(C)c1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028746463 671020719 /nfs/dbraw/zinc/02/07/19/671020719.db2.gz CXVOQWVODXDUCD-SNVBAGLBSA-N -1 0 319.369 -0.196 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C1CC1 ZINC001012134074 671040534 /nfs/dbraw/zinc/04/05/34/671040534.db2.gz LDEUCVNDZXJSAD-POYBYMJQSA-N -1 0 307.310 -0.588 20 0 DBADRM Cn1ccc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001028984886 671140025 /nfs/dbraw/zinc/14/00/25/671140025.db2.gz FWPJLRPRCAILKV-VIFPVBQESA-N -1 0 305.342 -0.504 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCC[C@@H](NC(=O)C(N)=O)C2)c1[O-] ZINC000983583307 671190161 /nfs/dbraw/zinc/19/01/61/671190161.db2.gz YMGXWUYXPNWKOY-JGVFFNPUSA-N -1 0 309.326 -0.934 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000262079502 671264300 /nfs/dbraw/zinc/26/43/00/671264300.db2.gz FBIRXKIASKWSID-UHFFFAOYSA-N -1 0 323.305 -0.659 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)N2CC[C@H](C(=O)[O-])C2)c(=O)c1 ZINC000909420068 671272182 /nfs/dbraw/zinc/27/21/82/671272182.db2.gz HXGGEGIKWNXJMT-NHYWBVRUSA-N -1 0 308.334 -0.159 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)N2CC[C@H](C(=O)[O-])C2)c(=O)c1 ZINC000909420069 671272905 /nfs/dbraw/zinc/27/29/05/671272905.db2.gz HXGGEGIKWNXJMT-XHDPSFHLSA-N -1 0 308.334 -0.159 20 0 DBADRM O=C([C@@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029204682 671274898 /nfs/dbraw/zinc/27/48/98/671274898.db2.gz NWBPPDAJMSQBSF-AXFHLTTASA-N -1 0 307.354 -0.136 20 0 DBADRM O=C(c1cnns1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029227995 671279468 /nfs/dbraw/zinc/27/94/68/671279468.db2.gz DPAIVQXZBLSNCL-OCAPTIKFSA-N -1 0 321.366 -0.149 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cc1cncn1C ZINC000909425993 671281998 /nfs/dbraw/zinc/28/19/98/671281998.db2.gz DXWTWUSVYZBJDH-NSHDSACASA-N -1 0 322.365 -0.256 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)NC)o1 ZINC000049225247 671291975 /nfs/dbraw/zinc/29/19/75/671291975.db2.gz YVVRKZUNZUPZQG-ZETCQYMHSA-N -1 0 304.324 -0.131 20 0 DBADRM COC[C@H]1CCN(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])C1 ZINC000262108925 671293105 /nfs/dbraw/zinc/29/31/05/671293105.db2.gz VOKLBYUGTVXEET-JQWIXIFHSA-N -1 0 315.370 -0.014 20 0 DBADRM CC(C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029289913 671303384 /nfs/dbraw/zinc/30/33/84/671303384.db2.gz RZLARFWFZCVPRU-AOOOYVTPSA-N -1 0 309.370 -0.154 20 0 DBADRM CC(=O)NCc1cc(=O)[nH]c(CNC(=O)c2cc(C)n[nH]2)n1 ZINC000984126523 671323502 /nfs/dbraw/zinc/32/35/02/671323502.db2.gz ZQBCEESBAPZAGF-UHFFFAOYSA-N -1 0 304.310 -0.220 20 0 DBADRM CC(=O)N(C)[C@@H]1CCCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000984374333 671344853 /nfs/dbraw/zinc/34/48/53/671344853.db2.gz HECUQQYCSVDVBQ-SNVBAGLBSA-N -1 0 323.353 -0.315 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1CC ZINC000984390177 671346295 /nfs/dbraw/zinc/34/62/95/671346295.db2.gz XRUZPIITPGWMON-DTWKUNHWSA-N -1 0 311.342 -0.405 20 0 DBADRM CCC[C@H](NC(=O)CNS(=O)(=O)CCCOC)C(=O)[O-] ZINC000262218389 671348360 /nfs/dbraw/zinc/34/83/60/671348360.db2.gz ZKOGLNMJQJWAPF-VIFPVBQESA-N -1 0 310.372 -0.688 20 0 DBADRM CN(C(=O)C1CC1)[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000984434011 671349952 /nfs/dbraw/zinc/34/99/52/671349952.db2.gz XAXSBIPUFXSILM-VIFPVBQESA-N -1 0 321.337 -0.244 20 0 DBADRM O=C([O-])[C@H](CC1CC1)NC(=O)CCN1CCCS1(=O)=O ZINC000262225660 671350247 /nfs/dbraw/zinc/35/02/47/671350247.db2.gz NNZLFNQNFOZXKY-JTQLQIEISA-N -1 0 304.368 -0.219 20 0 DBADRM CCC(=O)N(C)[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000984454260 671351378 /nfs/dbraw/zinc/35/13/78/671351378.db2.gz RWDZNCGMESQGRG-VIFPVBQESA-N -1 0 311.342 -0.451 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000262235825 671356844 /nfs/dbraw/zinc/35/68/44/671356844.db2.gz PNRZTCHUMOLIRB-LLVKDONJSA-N -1 0 313.354 -0.612 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1 ZINC000732521957 677363861 /nfs/dbraw/zinc/36/38/61/677363861.db2.gz XZEKTWLXLBKMJN-UHFFFAOYSA-N -1 0 311.323 -0.632 20 0 DBADRM Cc1nn(C)cc1[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC000727859550 671389553 /nfs/dbraw/zinc/38/95/53/671389553.db2.gz YJDMSDHZACNAAS-VIFPVBQESA-N -1 0 305.338 -0.154 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCOC[C@@H]1CC1CCOCC1 ZINC000896701818 671422738 /nfs/dbraw/zinc/42/27/38/671422738.db2.gz HKJUNMNLIBDWEU-LBPRGKRZSA-N -1 0 315.370 -0.109 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCOC[C@H]1CC1CCOCC1 ZINC000896701817 671423132 /nfs/dbraw/zinc/42/31/32/671423132.db2.gz HKJUNMNLIBDWEU-GFCCVEGCSA-N -1 0 315.370 -0.109 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H](CO)c1cc(F)ccc1F ZINC000896702122 671423582 /nfs/dbraw/zinc/42/35/82/671423582.db2.gz KADJEMGJRYFVMO-JTQLQIEISA-N -1 0 303.265 -0.025 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000262315131 671429616 /nfs/dbraw/zinc/42/96/16/671429616.db2.gz QOEPXJRPKXTDDQ-DOLQZWNJSA-N -1 0 307.368 -0.101 20 0 DBADRM O=C([N-]c1nn[nH]n1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000728209111 671448413 /nfs/dbraw/zinc/44/84/13/671448413.db2.gz YLWUOXWLXNNKGM-UHFFFAOYSA-N -1 0 312.311 -0.171 20 0 DBADRM O=C(Cc1nnc[nH]1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029549579 671450214 /nfs/dbraw/zinc/45/02/14/671450214.db2.gz VDBPVSDBTFSTAO-DTORHVGOSA-N -1 0 318.341 -0.954 20 0 DBADRM Cn1ccnc1[C@@](O)(CCN=c1nn[n-]n1C)C(F)(F)F ZINC000728294042 671451252 /nfs/dbraw/zinc/45/12/52/671451252.db2.gz WPLQWOAIBGEFCP-VIFPVBQESA-N -1 0 305.264 -0.382 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@]1(O)CCSC1 ZINC000866907383 671452900 /nfs/dbraw/zinc/45/29/00/671452900.db2.gz COXMGOKNXBIIDQ-VPTHRUTESA-N -1 0 302.443 -0.194 20 0 DBADRM Cc1ccc(CCC(=O)NCC(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC000262424920 671452977 /nfs/dbraw/zinc/45/29/77/671452977.db2.gz BBJYDVYSBILNMM-MRXNPFEDSA-N -1 0 322.361 -0.004 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@]1(O)CCSC1 ZINC000866907380 671453026 /nfs/dbraw/zinc/45/30/26/671453026.db2.gz COXMGOKNXBIIDQ-BCTVWOGZSA-N -1 0 302.443 -0.194 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1CC ZINC000985187205 671454764 /nfs/dbraw/zinc/45/47/64/671454764.db2.gz ZFNJSTIDEGBSDF-JGVFFNPUSA-N -1 0 309.326 -0.198 20 0 DBADRM CCC[C@H](C)N1C[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])CC1=O ZINC000262466293 671456976 /nfs/dbraw/zinc/45/69/76/671456976.db2.gz YHKPGHJDUCVDQE-RBZYPMLTSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@@](O)(CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000262485233 671462437 /nfs/dbraw/zinc/46/24/37/671462437.db2.gz IMJVMJJPKFGUJI-BLLLJJGKSA-N -1 0 320.345 -0.013 20 0 DBADRM Cc1nn(C(C)C)c(C)c1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000797056665 671463477 /nfs/dbraw/zinc/46/34/77/671463477.db2.gz FBPDFMVYEUUPMV-UHFFFAOYSA-N -1 0 316.383 -0.445 20 0 DBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)cn1 ZINC000728769338 671465260 /nfs/dbraw/zinc/46/52/60/671465260.db2.gz FNXPZTOYQYJJJK-UHFFFAOYSA-N -1 0 312.351 -0.488 20 0 DBADRM Cn1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2n[nH]c(=O)[n-]2)n1 ZINC001029584363 671468401 /nfs/dbraw/zinc/46/84/01/671468401.db2.gz SSJXRAAQLVZAFH-AOOOYVTPSA-N -1 0 317.353 -0.267 20 0 DBADRM C[N@@H+](Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC001029629585 671472907 /nfs/dbraw/zinc/47/29/07/671472907.db2.gz ALMVXHVWYWUIBR-JTQLQIEISA-N -1 0 317.353 -0.106 20 0 DBADRM C[N@@H+](Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001029640405 671475959 /nfs/dbraw/zinc/47/59/59/671475959.db2.gz ZGMVFXWNKFUJJX-JTQLQIEISA-N -1 0 323.353 -0.321 20 0 DBADRM Cn1cnc(C(=O)N2CCC([N@H+](C)Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000985418718 671476065 /nfs/dbraw/zinc/47/60/65/671476065.db2.gz PWMOFYWOVBUKJJ-UHFFFAOYSA-N -1 0 320.357 -0.625 20 0 DBADRM C[N@@H+](Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001029760099 671495891 /nfs/dbraw/zinc/49/58/91/671495891.db2.gz GYFORCWWVVZURO-SECBINFHSA-N -1 0 324.385 -0.698 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCOC[C@@H]1CCCO1 ZINC000797303465 671499276 /nfs/dbraw/zinc/49/92/76/671499276.db2.gz XPRNWBYBVKLSKK-UWVGGRQHSA-N -1 0 323.367 -0.420 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000320707388 671511950 /nfs/dbraw/zinc/51/19/50/671511950.db2.gz AHCGBUDKZAERMG-UHFFFAOYSA-N -1 0 318.337 -0.047 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1csnn1)c1n[nH]c(=O)[n-]c1=O ZINC001038467018 671525911 /nfs/dbraw/zinc/52/59/11/671525911.db2.gz WSVTTYPMKGBKHS-ZETCQYMHSA-N -1 0 323.338 -0.861 20 0 DBADRM Cn1cc([N+](=O)[O-])cc1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000320818781 671534679 /nfs/dbraw/zinc/53/46/79/671534679.db2.gz SAVKABNJNYAPNC-UHFFFAOYSA-N -1 0 320.265 -0.080 20 0 DBADRM Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@@H]2C)on1 ZINC000985988879 671549921 /nfs/dbraw/zinc/54/99/21/671549921.db2.gz ZFWOGABTEFEMOR-VHSXEESVSA-N -1 0 320.353 -0.202 20 0 DBADRM C[C@@H]1[C@@H](NCc2cnon2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000986489083 671596457 /nfs/dbraw/zinc/59/64/57/671596457.db2.gz SDADDPPVGMRQRD-SVRRBLITSA-N -1 0 321.297 -0.941 20 0 DBADRM CC(C)(CCNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1)C(=O)[O-] ZINC000263047579 671622793 /nfs/dbraw/zinc/62/27/93/671622793.db2.gz KEVPCMQHOBBMIO-RKDXNWHRSA-N -1 0 301.343 -0.181 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000729067888 671629067 /nfs/dbraw/zinc/62/90/67/671629067.db2.gz SQJNHUDFDLMVCO-VHSXEESVSA-N -1 0 317.367 -0.191 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCCC1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000729189172 671646012 /nfs/dbraw/zinc/64/60/12/671646012.db2.gz NCFDCFXABIGRDR-JTQLQIEISA-N -1 0 315.395 -0.156 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C(F)F)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987181806 671655211 /nfs/dbraw/zinc/65/52/11/671655211.db2.gz HTJBTLOXQJOIGZ-RITPCOANSA-N -1 0 319.268 -0.940 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263220738 671663211 /nfs/dbraw/zinc/66/32/11/671663211.db2.gz PACNLFLWOGIYID-NXEZZACHSA-N -1 0 322.383 -0.231 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC000263299707 671679763 /nfs/dbraw/zinc/67/97/63/671679763.db2.gz GKRTVWRKKBOBRB-IUCAKERBSA-N -1 0 306.384 -0.117 20 0 DBADRM CN1CC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C1=O ZINC000872451901 671689364 /nfs/dbraw/zinc/68/93/64/671689364.db2.gz RPWRXOTZLZUXLD-NTCNTBNZSA-N -1 0 311.429 -0.052 20 0 DBADRM CCC[C@H](NC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000263414631 671698380 /nfs/dbraw/zinc/69/83/80/671698380.db2.gz JRARFIQIAVJCQS-VIFPVBQESA-N -1 0 301.324 -0.288 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])c(F)c1 ZINC000263473950 671705618 /nfs/dbraw/zinc/70/56/18/671705618.db2.gz IQWFBEJUCLJONZ-NSHDSACASA-N -1 0 307.299 -0.052 20 0 DBADRM COCC(=O)N1CC[C@@H](CN(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000987665046 671707180 /nfs/dbraw/zinc/70/71/80/671707180.db2.gz XVHKHXQKJFYTGQ-JTQLQIEISA-N -1 0 310.354 -0.009 20 0 DBADRM CC(=O)N1CCC(CN(C)C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000988398135 671788784 /nfs/dbraw/zinc/78/87/84/671788784.db2.gz IHXMFALICOTIOQ-UHFFFAOYSA-N -1 0 322.365 -0.184 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cnsn3)C2)c1[O-] ZINC000937704276 671810015 /nfs/dbraw/zinc/81/00/15/671810015.db2.gz NQVPIKNLKIMSBO-ZETCQYMHSA-N -1 0 322.350 -0.080 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NCc3cn(C)nn3)C[C@@H]2C)c1[O-] ZINC000988639312 671814428 /nfs/dbraw/zinc/81/44/28/671814428.db2.gz WYYLTYKAYSXEHS-WPRPVWTQSA-N -1 0 319.369 -0.055 20 0 DBADRM O=C(CC1CCC1)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000937781737 671833806 /nfs/dbraw/zinc/83/38/06/671833806.db2.gz LDYHDNMJZJRNFT-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cn(C)cn3)C2)c1[O-] ZINC000937825560 671838922 /nfs/dbraw/zinc/83/89/22/671838922.db2.gz UTSLHEAVORGEPN-VIFPVBQESA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnn(C)c3)C2)c1[O-] ZINC000937833126 671840334 /nfs/dbraw/zinc/84/03/34/671840334.db2.gz YGIBFLQUIMVQQN-JTQLQIEISA-N -1 0 318.337 -0.198 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000937838674 671842585 /nfs/dbraw/zinc/84/25/85/671842585.db2.gz JGAKYQAVVPPXTR-JGVFFNPUSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(C)C[C@@H](CNC(=O)NC[C@@H]1CC(C(N)=O)=NO1)C(=O)[O-] ZINC000263046485 671875283 /nfs/dbraw/zinc/87/52/83/671875283.db2.gz JXBCTUOCSCZYHP-IUCAKERBSA-N -1 0 314.342 -0.337 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H]1C ZINC000989225138 672466264 /nfs/dbraw/zinc/46/62/64/672466264.db2.gz OEGKXZPUCIGLNA-SCZZXKLOSA-N -1 0 308.338 -0.385 20 0 DBADRM CCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000035133944 672474408 /nfs/dbraw/zinc/47/44/08/672474408.db2.gz VSQLGHPPRMCJQS-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000729899687 672496523 /nfs/dbraw/zinc/49/65/23/672496523.db2.gz CFTZZYQSUDUJIR-JTQLQIEISA-N -1 0 306.384 -0.082 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000729913375 672497325 /nfs/dbraw/zinc/49/73/25/672497325.db2.gz WLXZTLYSSJNNMS-VIFPVBQESA-N -1 0 303.384 -0.302 20 0 DBADRM O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000897620815 672501295 /nfs/dbraw/zinc/50/12/95/672501295.db2.gz KUHRHRQTCLLARK-LBPRGKRZSA-N -1 0 321.381 -0.063 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCCC2)C1 ZINC000786934363 672506633 /nfs/dbraw/zinc/50/66/33/672506633.db2.gz RSIFUQDODOIBEK-NXEZZACHSA-N -1 0 303.384 -0.265 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CC[C@H]1CC[C@H](C2OCCO2)O1 ZINC000898279559 672549517 /nfs/dbraw/zinc/54/95/17/672549517.db2.gz GJSGHSDGDIXKDC-GHMZBOCLSA-N -1 0 316.354 -0.129 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCCN(C/C=C\Cl)CC1 ZINC000989564948 672560818 /nfs/dbraw/zinc/56/08/18/672560818.db2.gz VBPXYDIUIKOLFA-IWQZZHSRSA-N -1 0 315.761 -0.024 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)C(N)=O ZINC000035149067 672607271 /nfs/dbraw/zinc/60/72/71/672607271.db2.gz DGXPSLMCJIPTEJ-QMMMGPOBSA-N -1 0 300.336 -0.144 20 0 DBADRM Cc1nnsc1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000990203133 672680857 /nfs/dbraw/zinc/68/08/57/672680857.db2.gz LRTSMTHNILVHSP-UHFFFAOYSA-N -1 0 322.350 -0.162 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@@H](C)n3cccn3)C2)c1[O-] ZINC000990293040 672718028 /nfs/dbraw/zinc/71/80/28/672718028.db2.gz KEWUKYUIZCSPGU-SECBINFHSA-N -1 0 318.337 -0.178 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(Cc2ccsc2)C1 ZINC001031314881 677416492 /nfs/dbraw/zinc/41/64/92/677416492.db2.gz NAWXPCLEJWGZRM-UHFFFAOYSA-N -1 0 309.351 -0.249 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1csc(=O)[nH]1 ZINC001031914927 677725206 /nfs/dbraw/zinc/72/52/06/677725206.db2.gz XIIIGYYBUITPAH-UHFFFAOYSA-N -1 0 310.339 -0.466 20 0 DBADRM CC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000945812315 678178163 /nfs/dbraw/zinc/17/81/63/678178163.db2.gz AHAPOZCJUPDCNQ-DTWKUNHWSA-N -1 0 307.310 -0.634 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)[C@H](O)C(F)(F)F ZINC000915253551 677344109 /nfs/dbraw/zinc/34/41/09/677344109.db2.gz ZLIYIJHAVZGSKN-HXFLIBJXSA-N -1 0 321.317 -0.387 20 0 DBADRM O=C(CNC(=O)c1ccsc1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000731854980 677345889 /nfs/dbraw/zinc/34/58/89/677345889.db2.gz NMOCFZSLZMZIIJ-VIFPVBQESA-N -1 0 322.350 -0.409 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000731855053 677346129 /nfs/dbraw/zinc/34/61/29/677346129.db2.gz ORGLOQZUHRNTSX-GARJFASQSA-N -1 0 311.342 -0.316 20 0 DBADRM COCCOC(=O)c1c(C)[nH]c(C(=O)NCc2nnn[n-]2)c1C ZINC000731873137 677346350 /nfs/dbraw/zinc/34/63/50/677346350.db2.gz MLRAVGDXMROGFN-UHFFFAOYSA-N -1 0 322.325 -0.122 20 0 DBADRM C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(=O)[nH][n-]2)C1=O ZINC000731864630 677346506 /nfs/dbraw/zinc/34/65/06/677346506.db2.gz ARDADQOHUMCMHO-AWEZNQCLSA-N -1 0 315.289 -0.639 20 0 DBADRM O=C(CN1CCCCCC1=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000731880528 677346679 /nfs/dbraw/zinc/34/66/79/677346679.db2.gz PBCVCEICIBYAOQ-JTQLQIEISA-N -1 0 308.342 -0.498 20 0 DBADRM NC(=O)[C@H](CNC(=O)c1cc(=O)[nH][n-]1)Cc1ccc(F)cc1 ZINC000731897071 677346684 /nfs/dbraw/zinc/34/66/84/677346684.db2.gz NCTUMINNIFKQAG-VIFPVBQESA-N -1 0 306.297 -0.538 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCc2nc[nH]c2C1 ZINC001031216553 677348909 /nfs/dbraw/zinc/34/89/09/677348909.db2.gz UYDIZFVETVXPHB-QMMMGPOBSA-N -1 0 317.353 -0.661 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732090281 677350588 /nfs/dbraw/zinc/35/05/88/677350588.db2.gz RXJOUYJQGDNXNP-RKDXNWHRSA-N -1 0 312.355 -0.979 20 0 DBADRM C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732090444 677350851 /nfs/dbraw/zinc/35/08/51/677350851.db2.gz WTVCYVYTTXSDKX-KOLCDFICSA-N -1 0 322.369 -0.206 20 0 DBADRM CC(C)(C)N1C[C@H](C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CC1=O ZINC000732090977 677350906 /nfs/dbraw/zinc/35/09/06/677350906.db2.gz WUZWFIHHAPCXHF-NXEZZACHSA-N -1 0 322.369 -0.253 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732091498 677350916 /nfs/dbraw/zinc/35/09/16/677350916.db2.gz GPUCVJCPDBGHIF-SECBINFHSA-N -1 0 317.371 -0.830 20 0 DBADRM O=C(CC1CCCC1)NCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732089111 677350961 /nfs/dbraw/zinc/35/09/61/677350961.db2.gz BNWRVKDRYXLCAU-LLVKDONJSA-N -1 0 322.369 -0.204 20 0 DBADRM COCCNC(=O)CNC(=O)c1n[n-]c2ccccc2c1=O ZINC000732259330 677352557 /nfs/dbraw/zinc/35/25/57/677352557.db2.gz PMOZGHPGSWGQPC-UHFFFAOYSA-N -1 0 304.306 -0.172 20 0 DBADRM O=C(Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(=O)[nH][n-]1 ZINC000732268863 677352741 /nfs/dbraw/zinc/35/27/41/677352741.db2.gz DIJBBAKFSXTGDY-UHFFFAOYSA-N -1 0 301.306 -0.563 20 0 DBADRM O=C(NCCCNC(=O)c1cccc(F)c1)c1cc(=O)[nH][n-]1 ZINC000732291707 677353123 /nfs/dbraw/zinc/35/31/23/677353123.db2.gz LOINNCKCEZVLGJ-UHFFFAOYSA-N -1 0 306.297 -0.062 20 0 DBADRM NC(=O)[C@@H](CNC(=O)c1cc(=O)[nH][n-]1)Cc1ccccc1Cl ZINC000732289051 677353169 /nfs/dbraw/zinc/35/31/69/677353169.db2.gz BRUUJUZXZBFOMZ-SECBINFHSA-N -1 0 322.752 -0.024 20 0 DBADRM CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2cc(=O)[nH][n-]2)C1 ZINC000732288705 677353272 /nfs/dbraw/zinc/35/32/72/677353272.db2.gz XDYTWHGEWNLCEY-ZETCQYMHSA-N -1 0 308.367 -0.314 20 0 DBADRM COc1ccc(OC)c(CN(CCO)C(=O)c2cc(=O)[nH][n-]2)c1 ZINC000732292798 677353292 /nfs/dbraw/zinc/35/32/92/677353292.db2.gz UUELQPJCZJWGLN-UHFFFAOYSA-N -1 0 321.333 -0.099 20 0 DBADRM O=C(COC(=O)c1cncc(O)c1)NCC(=O)N1CCCC1 ZINC000732393934 677357244 /nfs/dbraw/zinc/35/72/44/677357244.db2.gz FCLSZSYKEVWVIU-UHFFFAOYSA-N -1 0 307.306 -0.317 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCn1cccn1 ZINC000788044430 677357712 /nfs/dbraw/zinc/35/77/12/677357712.db2.gz RLXIAFZTHGELAR-ZJUUUORDSA-N -1 0 317.367 -0.083 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000732510960 677362382 /nfs/dbraw/zinc/36/23/82/677362382.db2.gz JSTRYNZOBBXOOI-SECBINFHSA-N -1 0 318.351 -0.120 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000732521022 677363470 /nfs/dbraw/zinc/36/34/70/677363470.db2.gz JZMFZOHNYFOGFU-UHFFFAOYSA-N -1 0 321.376 -0.204 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(C)nn2C ZINC000732520955 677363577 /nfs/dbraw/zinc/36/35/77/677363577.db2.gz IQWCUOAKZUHMEQ-UHFFFAOYSA-N -1 0 312.351 -0.017 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CSc1nnnn1C1CC1 ZINC000732520674 677363661 /nfs/dbraw/zinc/36/36/61/677363661.db2.gz DNPXJOKMHKGSKA-UHFFFAOYSA-N -1 0 321.384 -0.808 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CN(C)C(=O)c1cccs1 ZINC000732520271 677363719 /nfs/dbraw/zinc/36/37/19/677363719.db2.gz AZKCEFBOMVRUKM-UHFFFAOYSA-N -1 0 320.392 -0.088 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000732523047 677363912 /nfs/dbraw/zinc/36/39/12/677363912.db2.gz GZDCKGDVCSEQOM-SNVBAGLBSA-N -1 0 318.395 -0.130 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1 ZINC000732524155 677364112 /nfs/dbraw/zinc/36/41/12/677364112.db2.gz PVXCTAIZXMWZGT-UHFFFAOYSA-N -1 0 324.362 -0.098 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1sccc1-n1cnnn1 ZINC000732522523 677364113 /nfs/dbraw/zinc/36/41/13/677364113.db2.gz JCDCHAZVGTWXBO-UHFFFAOYSA-N -1 0 317.352 -0.570 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000732607685 677366086 /nfs/dbraw/zinc/36/60/86/677366086.db2.gz NOJYWSHBBIVNGS-UHFFFAOYSA-N -1 0 309.369 -0.656 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cnn(C)c2)cc1C(N)=O ZINC000732617120 677366308 /nfs/dbraw/zinc/36/63/08/677366308.db2.gz CDCOJPBVZCJAOD-UHFFFAOYSA-N -1 0 322.346 -0.054 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000732607323 677366443 /nfs/dbraw/zinc/36/64/43/677366443.db2.gz WXNXQDSXGOGNRE-UHFFFAOYSA-N -1 0 310.353 -0.391 20 0 DBADRM CCc1nocc1C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001015667994 677376340 /nfs/dbraw/zinc/37/63/40/677376340.db2.gz YXZXIMSXXMEWKK-SECBINFHSA-N -1 0 320.353 -0.337 20 0 DBADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000732904067 677376520 /nfs/dbraw/zinc/37/65/20/677376520.db2.gz OWHBUYXGKRCVBI-SECBINFHSA-N -1 0 314.429 -0.240 20 0 DBADRM C[C@@H]1[C@H](NC(=O)c2cn[nH]n2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993542288 677380106 /nfs/dbraw/zinc/38/01/06/677380106.db2.gz NQWOXTOQEAOEKT-HTQZYQBOSA-N -1 0 306.330 -0.589 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cn[nH]n2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993542290 677380387 /nfs/dbraw/zinc/38/03/87/677380387.db2.gz NQWOXTOQEAOEKT-SFYZADRCSA-N -1 0 306.330 -0.589 20 0 DBADRM C[C@@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993683930 677384889 /nfs/dbraw/zinc/38/48/89/677384889.db2.gz BRLIJKMWYDNXSO-HMUNZLOLSA-N -1 0 321.381 -0.128 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993887536 677392769 /nfs/dbraw/zinc/39/27/69/677392769.db2.gz REUCOQYLWABFQS-KOLCDFICSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993999956 677397251 /nfs/dbraw/zinc/39/72/51/677397251.db2.gz XDWHLQWRFBMEJZ-DTWKUNHWSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994104422 677406279 /nfs/dbraw/zinc/40/62/79/677406279.db2.gz UXQDTPMLGIGNNH-VHSXEESVSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cc2nc[nH]n2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994202243 677410269 /nfs/dbraw/zinc/41/02/69/677410269.db2.gz JJAAYJUSPWMPSW-DTWKUNHWSA-N -1 0 320.357 -0.660 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000916209474 677415280 /nfs/dbraw/zinc/41/52/80/677415280.db2.gz GNORYIBIHULTDM-UHFFFAOYSA-N -1 0 320.349 -0.452 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(Cc2ccccc2)C1 ZINC001031314888 677416540 /nfs/dbraw/zinc/41/65/40/677416540.db2.gz NNBCJKFYPVGNSB-UHFFFAOYSA-N -1 0 303.322 -0.310 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(CC=C(Cl)Cl)C1 ZINC001031314848 677416582 /nfs/dbraw/zinc/41/65/82/677416582.db2.gz LAXCRQZJTIOPMG-UHFFFAOYSA-N -1 0 322.152 -0.191 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCCN1CCF ZINC000994293325 677421373 /nfs/dbraw/zinc/42/13/73/677421373.db2.gz AQBQCQUTXGGBLR-BDAKNGLRSA-N -1 0 301.322 -0.372 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccccc2)c(=O)[nH]c1=O ZINC000916747245 677423909 /nfs/dbraw/zinc/42/39/09/677423909.db2.gz OUPAGLXDNSBHIS-UHFFFAOYSA-N -1 0 309.303 -0.395 20 0 DBADRM C[C@H]1[C@@H](NC(=O)Cn2ccnc2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994506577 677435991 /nfs/dbraw/zinc/43/59/91/677435991.db2.gz LCZURJMFXHUHDS-QWRGUYRKSA-N -1 0 319.369 -0.124 20 0 DBADRM CCc1onc(C)c1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031373967 677437249 /nfs/dbraw/zinc/43/72/49/677437249.db2.gz MZRATOVLFZVDLZ-UHFFFAOYSA-N -1 0 306.326 -0.017 20 0 DBADRM C[C@@H](C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)N1CCCCC1=O ZINC001031428686 677448234 /nfs/dbraw/zinc/44/82/34/677448234.db2.gz REHKMIMECQCQFX-VIFPVBQESA-N -1 0 322.369 -0.788 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1COc2ccccc21 ZINC001031478294 677455959 /nfs/dbraw/zinc/45/59/59/677455959.db2.gz ISVWPUVMLXMXKN-LLVKDONJSA-N -1 0 315.333 -0.013 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]N2CCCC2=O)n(C)c1 ZINC000918607086 677459436 /nfs/dbraw/zinc/45/94/36/677459436.db2.gz MQOXZFIMPIOAFF-UHFFFAOYSA-N -1 0 301.324 -0.373 20 0 DBADRM C[C@H](C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn(C)c1 ZINC001031509185 677460418 /nfs/dbraw/zinc/46/04/18/677460418.db2.gz SRDOOJGVUVYREQ-QMMMGPOBSA-N -1 0 305.342 -0.652 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnc(F)c1 ZINC001031574836 677472308 /nfs/dbraw/zinc/47/23/08/677472308.db2.gz TWHHTFQSDCCDDX-UHFFFAOYSA-N -1 0 306.301 -0.094 20 0 DBADRM O=C(Cc1nc2ncccn2n1)[N-]S(=O)(=O)N1CCCC1 ZINC000919669693 677478565 /nfs/dbraw/zinc/47/85/65/677478565.db2.gz WXHCAZSFIASPKC-UHFFFAOYSA-N -1 0 310.339 -0.876 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCCC2)C1 ZINC000919670359 677478758 /nfs/dbraw/zinc/47/87/58/677478758.db2.gz YTKDYIVEZAOPHZ-SECBINFHSA-N -1 0 304.372 -0.766 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000919671089 677479193 /nfs/dbraw/zinc/47/91/93/677479193.db2.gz FCEAFNVWAIWYDG-UHFFFAOYSA-N -1 0 317.367 -0.628 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(CC(=O)N(C)C3CC3)C2)c1[O-] ZINC001031617045 677480894 /nfs/dbraw/zinc/48/08/94/677480894.db2.gz SMDJVAGCXCCKCZ-UHFFFAOYSA-N -1 0 321.381 -0.294 20 0 DBADRM COc1ccccc1OCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766929421 677484344 /nfs/dbraw/zinc/48/43/44/677484344.db2.gz ZCXZBTMDHUGOSY-UHFFFAOYSA-N -1 0 302.308 -0.995 20 0 DBADRM Cc1cc(C(=O)NCC2CN(Cc3nc(=O)n(C)[nH]3)C2)co1 ZINC001031633052 677486193 /nfs/dbraw/zinc/48/61/93/677486193.db2.gz MUUCWLNHBZYCIF-UHFFFAOYSA-N -1 0 305.338 -0.128 20 0 DBADRM Cc1ccnc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001031642639 677489251 /nfs/dbraw/zinc/48/92/51/677489251.db2.gz VJMBNYLLPWLESV-UHFFFAOYSA-N -1 0 303.326 -0.529 20 0 DBADRM CCOC1CC(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001031650538 677491913 /nfs/dbraw/zinc/49/19/13/677491913.db2.gz QWFHAKUFDXBZMN-UHFFFAOYSA-N -1 0 309.370 -0.127 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1coc(C(N)=O)c1 ZINC000766968477 677493325 /nfs/dbraw/zinc/49/33/25/677493325.db2.gz GXSQDHHGGAZFKC-UHFFFAOYSA-N -1 0 304.324 -0.135 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)[C@H]1CCOC[C@@H]1C ZINC000921380179 677503183 /nfs/dbraw/zinc/50/31/83/677503183.db2.gz JESVRCKQHSJNOQ-DCAQKATOSA-N -1 0 309.384 -0.091 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000921486609 677505399 /nfs/dbraw/zinc/50/53/99/677505399.db2.gz PNUFZENZMIRLLI-LLVKDONJSA-N -1 0 312.370 -0.246 20 0 DBADRM CCN(CC)C(=O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000064750086 677513067 /nfs/dbraw/zinc/51/30/67/677513067.db2.gz UGYDLUCFSINLJV-UHFFFAOYSA-N -1 0 319.321 -0.378 20 0 DBADRM CC1(C)C[C@H]1C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938349345 677516042 /nfs/dbraw/zinc/51/60/42/677516042.db2.gz GHEABOYZGUTTRR-YUMQZZPRSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(C)CC(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938349274 677516157 /nfs/dbraw/zinc/51/61/57/677516157.db2.gz CPDTXTGEACTGDG-QMMMGPOBSA-N -1 0 309.326 -0.340 20 0 DBADRM CC1(C(=O)N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000938350352 677516256 /nfs/dbraw/zinc/51/62/56/677516256.db2.gz SKLJCTYFYMEDEO-ZETCQYMHSA-N -1 0 307.310 -0.586 20 0 DBADRM CC[C@@H](F)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938350350 677516523 /nfs/dbraw/zinc/51/65/23/677516523.db2.gz SHFYMHXCCKTPME-NKWVEPMBSA-N -1 0 313.289 -0.638 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)CCC2CC2)C1 ZINC000938389357 677519780 /nfs/dbraw/zinc/51/97/80/677519780.db2.gz UOVPSCCXROWFLO-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM CCn1nnc(C)c1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031727929 677520405 /nfs/dbraw/zinc/52/04/05/677520405.db2.gz ZGHCDNNMRHOLEJ-UHFFFAOYSA-N -1 0 320.357 -0.708 20 0 DBADRM CN(C(=O)C(F)F)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938942043 677564073 /nfs/dbraw/zinc/56/40/73/677564073.db2.gz AGNVFTNFWKFEAW-YFKPBYRVSA-N -1 0 317.252 -0.779 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000939012789 677569937 /nfs/dbraw/zinc/56/99/37/677569937.db2.gz ATMBTAIOKHHJIS-IWSPIJDZSA-N -1 0 321.337 -0.388 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](NC(=O)C2CC2)C1 ZINC000939025703 677570674 /nfs/dbraw/zinc/57/06/74/677570674.db2.gz FNYOFIXGSBYYEY-SECBINFHSA-N -1 0 321.337 -0.658 20 0 DBADRM CC[C@H]1CN(C(C)=O)CC[C@@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000948191479 677573963 /nfs/dbraw/zinc/57/39/63/677573963.db2.gz PFGVANUYJUHPRD-JQWIXIFHSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(C)(F)C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000939070615 677573998 /nfs/dbraw/zinc/57/39/98/677573998.db2.gz SLQHYJBTXQDRKM-SSDOTTSWSA-N -1 0 315.305 -0.846 20 0 DBADRM CC[C@H]1CN(C(C)=O)CC[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000948191478 677574114 /nfs/dbraw/zinc/57/41/14/677574114.db2.gz PFGVANUYJUHPRD-CMPLNLGQSA-N -1 0 322.365 -0.137 20 0 DBADRM Cn1ccc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)cc1=O ZINC001031777864 677577364 /nfs/dbraw/zinc/57/73/64/677577364.db2.gz CWVYGSKDFQQWBK-UHFFFAOYSA-N -1 0 318.337 -0.929 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cnccn3)C2)c1[O-] ZINC000939191855 677583838 /nfs/dbraw/zinc/58/38/38/677583838.db2.gz OTVYNAJXTOFCOQ-SECBINFHSA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1oncc1CN1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001031815740 677597024 /nfs/dbraw/zinc/59/70/24/677597024.db2.gz HKDQXNMYIMKACQ-UHFFFAOYSA-N -1 0 320.309 -0.559 20 0 DBADRM Cc1nnccc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031816580 677597715 /nfs/dbraw/zinc/59/77/15/677597715.db2.gz GBNSBFSKYPOYKD-UHFFFAOYSA-N -1 0 303.326 -0.529 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccc[nH]1 ZINC000939394803 677605123 /nfs/dbraw/zinc/60/51/23/677605123.db2.gz DGTFJHBDECDQDZ-SSDOTTSWSA-N -1 0 318.293 -0.745 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](NC(=O)c2ccoc2)C1 ZINC000939409188 677606616 /nfs/dbraw/zinc/60/66/16/677606616.db2.gz ZXHPKHBRRZEZSW-SECBINFHSA-N -1 0 321.293 -0.687 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](NC(=O)C2CC=CC2)C1 ZINC000939818989 677634140 /nfs/dbraw/zinc/63/41/40/677634140.db2.gz FHLMSLZBMDPVCC-SNVBAGLBSA-N -1 0 321.337 -0.627 20 0 DBADRM CC1CC(C(=O)N[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000939955119 677641398 /nfs/dbraw/zinc/64/13/98/677641398.db2.gz QPKIZRNFGOAGHJ-AMDVSUOASA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](NC(=O)C2=CCCC2)C1 ZINC000939999961 677644183 /nfs/dbraw/zinc/64/41/83/677644183.db2.gz LUMODZIEAAHAIB-SNVBAGLBSA-N -1 0 321.337 -0.483 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cn(C)cn3)C2)c1[O-] ZINC000940020885 677645116 /nfs/dbraw/zinc/64/51/16/677645116.db2.gz UTSLHEAVORGEPN-SECBINFHSA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3nonc3C)C2)c1[O-] ZINC000940047422 677645537 /nfs/dbraw/zinc/64/55/37/677645537.db2.gz GRNJNYAYJVIIOR-MRVPVSSYSA-N -1 0 320.309 -0.240 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cncn3C)C2)c1[O-] ZINC000940047799 677645548 /nfs/dbraw/zinc/64/55/48/677645548.db2.gz QLLPWSUJCDPMFR-SECBINFHSA-N -1 0 318.337 -0.198 20 0 DBADRM CC1(C)C[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000940056229 677646043 /nfs/dbraw/zinc/64/60/43/677646043.db2.gz JGAKYQAVVPPXTR-SFYZADRCSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3ccn(C)n3)C2)c1[O-] ZINC000940532364 677670916 /nfs/dbraw/zinc/67/09/16/677670916.db2.gz GKMRYUDCZCAIDO-SECBINFHSA-N -1 0 318.337 -0.198 20 0 DBADRM COc1nn(C)cc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031897580 677697239 /nfs/dbraw/zinc/69/72/39/677697239.db2.gz WOVGSNNECAGOHN-UHFFFAOYSA-N -1 0 321.341 -0.886 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)[C@]34C[C@H]3COC4)C2)c1[O-] ZINC000940884618 677723798 /nfs/dbraw/zinc/72/37/98/677723798.db2.gz RWGBWVGJWHOVIM-WMFXKJRFSA-N -1 0 320.349 -0.209 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC000940928218 677727618 /nfs/dbraw/zinc/72/76/18/677727618.db2.gz QCAHSGAGGGVVCT-SECBINFHSA-N -1 0 320.309 -0.952 20 0 DBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)C1CC1 ZINC000940943514 677734483 /nfs/dbraw/zinc/73/44/83/677734483.db2.gz CQGAYQKEICQRLS-NXEZZACHSA-N -1 0 308.338 -0.211 20 0 DBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000941446215 677805526 /nfs/dbraw/zinc/80/55/26/677805526.db2.gz HVMORYXNRWVDLY-FOGDFJRCSA-N -1 0 307.354 -0.050 20 0 DBADRM COc1ncccc1C(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000941446376 677805586 /nfs/dbraw/zinc/80/55/86/677805586.db2.gz OXRJZWMXGXCAEW-SECBINFHSA-N -1 0 316.321 -0.147 20 0 DBADRM O=C(CC1=CCOCC1)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000941446120 677805708 /nfs/dbraw/zinc/80/57/08/677805708.db2.gz DIANNMLXTGNJRJ-LLVKDONJSA-N -1 0 305.338 -0.128 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2cnn3cc[nH]c23)C1)c1cn[nH]n1 ZINC000941446325 677805906 /nfs/dbraw/zinc/80/59/06/677805906.db2.gz MOFZCCWXZWNQLC-MRVPVSSYSA-N -1 0 314.309 -0.575 20 0 DBADRM CCc1ncoc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031964622 677836323 /nfs/dbraw/zinc/83/63/23/677836323.db2.gz IMSAWLIHNATPBK-UHFFFAOYSA-N -1 0 306.326 -0.078 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cnccn1 ZINC000941770358 677848807 /nfs/dbraw/zinc/84/88/07/677848807.db2.gz XJLWYWPVVSPHMY-UWVGGRQHSA-N -1 0 317.353 -0.059 20 0 DBADRM O=C(C=C1CCC1)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941788441 677848822 /nfs/dbraw/zinc/84/88/22/677848822.db2.gz DMUXTORFEDBBOI-SECBINFHSA-N -1 0 319.321 -0.276 20 0 DBADRM CC(C)(F)C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941791613 677852085 /nfs/dbraw/zinc/85/20/85/677852085.db2.gz AJSOTQQUFRPMLJ-ZCFIWIBFSA-N -1 0 313.289 -0.638 20 0 DBADRM CC(F)(F)C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941791839 677852475 /nfs/dbraw/zinc/85/24/75/677852475.db2.gz GKODIEDDFZHCGS-RXMQYKEDSA-N -1 0 317.252 -0.731 20 0 DBADRM CC[C@@H]1C[C@@H](C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)CC(=O)N1 ZINC000995177748 677853372 /nfs/dbraw/zinc/85/33/72/677853372.db2.gz CPNXFDDWEIBYMR-RKDXNWHRSA-N -1 0 320.353 -0.950 20 0 DBADRM Cc1noc(CCC(=O)N2CC(NC(=O)c3cn[nH]n3)C2)n1 ZINC000995177808 677853471 /nfs/dbraw/zinc/85/34/71/677853471.db2.gz DRTYMFWVTMWXJD-UHFFFAOYSA-N -1 0 305.298 -0.930 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)C1 ZINC000995177954 677853530 /nfs/dbraw/zinc/85/35/30/677853530.db2.gz SQPDSLFDFOXHKU-RKDXNWHRSA-N -1 0 320.353 -0.963 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1ccn[nH]1 ZINC000941847982 677854725 /nfs/dbraw/zinc/85/47/25/677854725.db2.gz VVDZNSNLMOJBNN-RKDXNWHRSA-N -1 0 305.342 -0.126 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1ccnn1C ZINC000941876260 677860551 /nfs/dbraw/zinc/86/05/51/677860551.db2.gz FGCXNXAJKXQRCU-VHSXEESVSA-N -1 0 319.369 -0.116 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000941934550 677862691 /nfs/dbraw/zinc/86/26/91/677862691.db2.gz SLOWXAYNOWHFIQ-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM CC1CC(C(=O)N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000941933727 677864733 /nfs/dbraw/zinc/86/47/33/677864733.db2.gz AILJSIZLGDQSMY-UDNWOFFPSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cnnn1C ZINC000942013493 677874732 /nfs/dbraw/zinc/87/47/32/677874732.db2.gz NHUQKPOGVZCDLU-RKDXNWHRSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000942017911 677875449 /nfs/dbraw/zinc/87/54/49/677875449.db2.gz IRCJFXCPECGXDM-BWZBUEFSSA-N -1 0 307.310 -0.731 20 0 DBADRM CC(=O)NC[C@]12CCC[C@H]1N(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC000995201692 677883226 /nfs/dbraw/zinc/88/32/26/677883226.db2.gz OSGJDZSRUHTETC-QMTHXVAHSA-N -1 0 323.353 -0.403 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000942482975 677937805 /nfs/dbraw/zinc/93/78/05/677937805.db2.gz SHXJBZABJYQCBE-IWSPIJDZSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000942550950 677943658 /nfs/dbraw/zinc/94/36/58/677943658.db2.gz MXGNKEDHKOJPTI-IONNQARKSA-N -1 0 320.357 -0.423 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000942550951 677944071 /nfs/dbraw/zinc/94/40/71/677944071.db2.gz MXGNKEDHKOJPTI-VXNVDRBHSA-N -1 0 320.357 -0.423 20 0 DBADRM CCC(=O)N1CC[C@@H](N(CC)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000942881770 677967468 /nfs/dbraw/zinc/96/74/68/677967468.db2.gz IJBZGCMPTNBCCJ-MRVPVSSYSA-N -1 0 309.326 -0.244 20 0 DBADRM CCC(=O)N1CC[C@H](N(CC)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000942898931 677968446 /nfs/dbraw/zinc/96/84/46/677968446.db2.gz YTJOXLDJLGWCPV-JTQLQIEISA-N -1 0 322.365 -0.041 20 0 DBADRM CCC(=O)N[C@H]1CCCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000943007643 677973664 /nfs/dbraw/zinc/97/36/64/677973664.db2.gz VERHCIIBYIYXBV-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM CCC(=O)N[C@@H]1CCCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000943007642 677974071 /nfs/dbraw/zinc/97/40/71/677974071.db2.gz VERHCIIBYIYXBV-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM CCC(=O)N1CCCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000943397691 677992661 /nfs/dbraw/zinc/99/26/61/677992661.db2.gz YXZXJSIHGHFGFC-QMMMGPOBSA-N -1 0 309.326 -0.196 20 0 DBADRM O=C(CC1CC1)N1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000943413040 677993671 /nfs/dbraw/zinc/99/36/71/677993671.db2.gz NPSMTBOHZIGQCC-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(Cn1cncn1)N[C@H]1CC[C@H](NC(=O)c2cn[nH]n2)CC1 ZINC000943735591 678016211 /nfs/dbraw/zinc/01/62/11/678016211.db2.gz VTPZTQITBAFATL-MGCOHNPYSA-N -1 0 318.341 -0.746 20 0 DBADRM CCC(=O)N1CCC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000943796487 678018821 /nfs/dbraw/zinc/01/88/21/678018821.db2.gz PKLBVNCPHRQUIU-SECBINFHSA-N -1 0 308.338 -0.383 20 0 DBADRM NC(=O)CN1CC(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001032125406 678035938 /nfs/dbraw/zinc/03/59/38/678035938.db2.gz MMIBLRAVDAAARS-UHFFFAOYSA-N -1 0 305.294 -0.925 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032138681 678044861 /nfs/dbraw/zinc/04/48/61/678044861.db2.gz GTZCCWPPBWSLKN-NSHDSACASA-N -1 0 322.369 -0.931 20 0 DBADRM COc1c(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001032156694 678046073 /nfs/dbraw/zinc/04/60/73/678046073.db2.gz XRDMEWUVLCYESD-UHFFFAOYSA-N -1 0 321.341 -0.886 20 0 DBADRM COCC(=O)N1CCO[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000944549135 678098529 /nfs/dbraw/zinc/09/85/29/678098529.db2.gz JFLQUTQCFZCZIR-VIFPVBQESA-N -1 0 312.326 -0.973 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1ccn(C)n1 ZINC000944920225 678135720 /nfs/dbraw/zinc/13/57/20/678135720.db2.gz SKRJAJYVEJFANB-NXEZZACHSA-N -1 0 319.369 -0.116 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](C)C1 ZINC000945076614 678141358 /nfs/dbraw/zinc/14/13/58/678141358.db2.gz QRFIRSKYEUMDIS-KWQFWETISA-N -1 0 308.338 -0.527 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H](C)C1 ZINC000945076616 678141388 /nfs/dbraw/zinc/14/13/88/678141388.db2.gz QRFIRSKYEUMDIS-LDYMZIIASA-N -1 0 308.338 -0.527 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](C)C1 ZINC000945079378 678141691 /nfs/dbraw/zinc/14/16/91/678141691.db2.gz RPNXATZRCYDXQS-DTWKUNHWSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnsn2)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000945197274 678145110 /nfs/dbraw/zinc/14/51/10/678145110.db2.gz FHJIJTDBVOHWHT-SFYZADRCSA-N -1 0 321.366 -0.063 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccn(C)n2)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000945331388 678150987 /nfs/dbraw/zinc/15/09/87/678150987.db2.gz WCJRRJBBJKFVLV-NXEZZACHSA-N -1 0 317.353 -0.181 20 0 DBADRM O=C(c1cnccn1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032256987 678152217 /nfs/dbraw/zinc/15/22/17/678152217.db2.gz DNEBHJQPBCLFMS-IUCAKERBSA-N -1 0 301.310 -0.601 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC000945397411 678153183 /nfs/dbraw/zinc/15/31/83/678153183.db2.gz ILHMZFYJEAINQL-WCBMZHEXSA-N -1 0 323.353 -0.412 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC000945433608 678155457 /nfs/dbraw/zinc/15/54/57/678155457.db2.gz FWQUSDKHWNRPBL-ONGXEEELSA-N -1 0 322.365 -0.137 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCN(C(=O)CC(N)=O)CC2)c1[O-] ZINC000945603938 678166463 /nfs/dbraw/zinc/16/64/63/678166463.db2.gz YDGKTOHUVYIQTP-UHFFFAOYSA-N -1 0 309.326 -0.980 20 0 DBADRM CC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000945654028 678169134 /nfs/dbraw/zinc/16/91/34/678169134.db2.gz UHFPMEMOVJLDNB-ONGXEEELSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000945690921 678171771 /nfs/dbraw/zinc/17/17/71/678171771.db2.gz DIYDWJKGIJNBEF-VXNVDRBHSA-N -1 0 309.326 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2[C@H](C)CCCN2C(=O)C(N)=O)c1[O-] ZINC000945802252 678176964 /nfs/dbraw/zinc/17/69/64/678176964.db2.gz QVZJGQXBGQZMNZ-APPZFPTMSA-N -1 0 323.353 -0.734 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)Cn1ccnc1 ZINC000945807407 678177647 /nfs/dbraw/zinc/17/76/47/678177647.db2.gz JBTYVCIYCXJSKA-MNOVXSKESA-N -1 0 319.369 -0.266 20 0 DBADRM CC(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC[C@H]21 ZINC000945995285 678190613 /nfs/dbraw/zinc/19/06/13/678190613.db2.gz CMYPDNGHDNKJIN-VHSXEESVSA-N -1 0 309.326 -0.841 20 0 DBADRM CC(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC[C@@H]21 ZINC000945995284 678190881 /nfs/dbraw/zinc/19/08/81/678190881.db2.gz CMYPDNGHDNKJIN-UWVGGRQHSA-N -1 0 309.326 -0.841 20 0 DBADRM CCC(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC[C@@H]21 ZINC000946000285 678191576 /nfs/dbraw/zinc/19/15/76/678191576.db2.gz UJYFDOLTWSOESH-ZJUUUORDSA-N -1 0 323.353 -0.451 20 0 DBADRM O=C(c1cnsn1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032297292 678235838 /nfs/dbraw/zinc/23/58/38/678235838.db2.gz UHCLTYCWBMAQLT-BQBZGAKWSA-N -1 0 307.339 -0.539 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cccn(C)c1=O ZINC000733676263 678249728 /nfs/dbraw/zinc/24/97/28/678249728.db2.gz PMQJKKXKBFMYIF-UHFFFAOYSA-N -1 0 324.362 -0.146 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O ZINC000733717079 678254337 /nfs/dbraw/zinc/25/43/37/678254337.db2.gz ZNIMTWYBYVMYIR-MRVPVSSYSA-N -1 0 306.340 -0.994 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000733717502 678254520 /nfs/dbraw/zinc/25/45/20/678254520.db2.gz ODJQTFINVDADDW-RKDXNWHRSA-N -1 0 318.351 -0.121 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1OC ZINC000733713547 678255551 /nfs/dbraw/zinc/25/55/51/678255551.db2.gz GBECFHNNWVSQLN-SSDOTTSWSA-N -1 0 305.356 -0.168 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733720963 678255820 /nfs/dbraw/zinc/25/58/20/678255820.db2.gz FIYFYIWQVKOHEL-WCBMZHEXSA-N -1 0 316.335 -0.367 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000733718360 678255924 /nfs/dbraw/zinc/25/59/24/678255924.db2.gz VCOVJKACVVWOQH-VIFPVBQESA-N -1 0 320.367 -0.604 20 0 DBADRM C[C@@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733723160 678256204 /nfs/dbraw/zinc/25/62/04/678256204.db2.gz KLEYXJMJCDJSPT-MWLCHTKSSA-N -1 0 318.395 -0.084 20 0 DBADRM O=C(CCOC[C@@H]1CCCO1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733723100 678256243 /nfs/dbraw/zinc/25/62/43/678256243.db2.gz JGBXWMBRUOCCMS-QWRGUYRKSA-N -1 0 307.368 -0.193 20 0 DBADRM CC[S@](=O)CCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000733963351 678269630 /nfs/dbraw/zinc/26/96/30/678269630.db2.gz FCVMQBSXHDXHPP-NRFANRHFSA-N -1 0 310.335 -0.066 20 0 DBADRM Cn1nccc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032308467 678271288 /nfs/dbraw/zinc/27/12/88/678271288.db2.gz LJWBOBSYSIESNL-IUCAKERBSA-N -1 0 303.326 -0.657 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CCn1cccn1 ZINC000734090146 678274873 /nfs/dbraw/zinc/27/48/73/678274873.db2.gz SQZRDERILAARTC-UHFFFAOYSA-N -1 0 303.340 -0.328 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cc(C)nn1C ZINC000734091464 678275139 /nfs/dbraw/zinc/27/51/39/678275139.db2.gz ZAVBYJZJICVOGY-UHFFFAOYSA-N -1 0 303.340 -0.259 20 0 DBADRM CC(C)C(C)(C)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996733705 678290138 /nfs/dbraw/zinc/29/01/38/678290138.db2.gz CBUXIBHWFXKGSB-UHFFFAOYSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H](C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000996743316 678290740 /nfs/dbraw/zinc/29/07/40/678290740.db2.gz GMMSIOGDCJMRTA-LURJTMIESA-N -1 0 307.310 -0.731 20 0 DBADRM CC(C)[C@@H](F)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996745378 678290847 /nfs/dbraw/zinc/29/08/47/678290847.db2.gz OFJOCQQPRBTWNB-SSDOTTSWSA-N -1 0 313.289 -0.783 20 0 DBADRM Cc1ccc(C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC000996742341 678290915 /nfs/dbraw/zinc/29/09/15/678290915.db2.gz DBRWGNHUPKXUMT-UHFFFAOYSA-N -1 0 319.277 -0.561 20 0 DBADRM O=C(NC1CN(C(=O)[C@@H]2CC23CC3)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996746259 678291417 /nfs/dbraw/zinc/29/14/17/678291417.db2.gz SRGAQSRMMRMSTH-ZETCQYMHSA-N -1 0 305.294 -0.977 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996746898 678291507 /nfs/dbraw/zinc/29/15/07/678291507.db2.gz WFNJQXAEWQEUCM-RNFRBKRXSA-N -1 0 307.310 -0.731 20 0 DBADRM CC1(CC(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000996755056 678291767 /nfs/dbraw/zinc/29/17/67/678291767.db2.gz RQELGOKKVPVVFS-UHFFFAOYSA-N -1 0 307.310 -0.586 20 0 DBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccccn2)cn1 ZINC000734964935 678306626 /nfs/dbraw/zinc/30/66/26/678306626.db2.gz CTDWMDNUUKIKHC-UHFFFAOYSA-N -1 0 320.330 -0.045 20 0 DBADRM O=C(CNC(=O)C1CCCCC1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000735047786 678310490 /nfs/dbraw/zinc/31/04/90/678310490.db2.gz BROSLPFIPJQOOD-LLVKDONJSA-N -1 0 322.369 -0.204 20 0 DBADRM CC(C)(C)C[C@H](O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000735332241 678324688 /nfs/dbraw/zinc/32/46/88/678324688.db2.gz YGODZCGGXZVUEE-VIFPVBQESA-N -1 0 307.354 -0.016 20 0 DBADRM CS(=O)(=O)NCc1ccc(NC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000735522038 678333645 /nfs/dbraw/zinc/33/36/45/678333645.db2.gz MFXZQCJCDPNPJH-UHFFFAOYSA-N -1 0 310.335 -0.450 20 0 DBADRM CC[C@@H](C(N)=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-] ZINC001032358422 678345322 /nfs/dbraw/zinc/34/53/22/678345322.db2.gz HDFFKFGNHNDCIC-GUBZILKMSA-N -1 0 307.354 -0.414 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCCCN1CCOCC1 ZINC000735893023 678352572 /nfs/dbraw/zinc/35/25/72/678352572.db2.gz AMOTYFKWKDJFBV-UHFFFAOYSA-N -1 0 321.337 -0.663 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)(C)C ZINC000736101859 678364897 /nfs/dbraw/zinc/36/48/97/678364897.db2.gz ZPAASGOYKKVLHG-SNVBAGLBSA-N -1 0 321.337 -0.225 20 0 DBADRM CC1(C)CC[C@H]1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997258231 678423237 /nfs/dbraw/zinc/42/32/37/678423237.db2.gz LKIIKQGOPSIEEY-VIFPVBQESA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)[C@H]1C[C@H]1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997259093 678423377 /nfs/dbraw/zinc/42/33/77/678423377.db2.gz ZRQVJVYPJXAMFL-NXEZZACHSA-N -1 0 323.353 -0.692 20 0 DBADRM CCC1(C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000997258533 678423413 /nfs/dbraw/zinc/42/34/13/678423413.db2.gz SHWKNDPLWNHMIH-UHFFFAOYSA-N -1 0 309.326 -0.794 20 0 DBADRM C[C@H](C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CCC1 ZINC000997260945 678423437 /nfs/dbraw/zinc/42/34/37/678423437.db2.gz MTMRVSBWCKLBEI-QMMMGPOBSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000997258783 678423699 /nfs/dbraw/zinc/42/36/99/678423699.db2.gz VLPXJPYEQBDQCZ-RKDXNWHRSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)[C@H]2CC23CCC3)C1 ZINC000997262012 678424112 /nfs/dbraw/zinc/42/41/12/678424112.db2.gz UORLJYAQIGQTJT-SECBINFHSA-N -1 0 321.337 -0.794 20 0 DBADRM CC1(C)C[C@H]1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997263696 678424193 /nfs/dbraw/zinc/42/41/93/678424193.db2.gz GCSLBOQZFKZBGH-QMMMGPOBSA-N -1 0 309.326 -0.938 20 0 DBADRM CC(C)(C)CC(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997266335 678424878 /nfs/dbraw/zinc/42/48/78/678424878.db2.gz QLXRHBDEHZOVLY-UHFFFAOYSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000997267900 678424906 /nfs/dbraw/zinc/42/49/06/678424906.db2.gz WQGYKVIKVXPRQT-SECBINFHSA-N -1 0 321.337 -0.627 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000888325691 678434451 /nfs/dbraw/zinc/43/44/51/678434451.db2.gz TVRNATZMAIGFBN-SNVBAGLBSA-N -1 0 307.358 -0.409 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000888327250 678437090 /nfs/dbraw/zinc/43/70/90/678437090.db2.gz VXAAXIGBARQOMI-CYBMUJFWSA-N -1 0 310.358 -0.083 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000921610736 678444970 /nfs/dbraw/zinc/44/49/70/678444970.db2.gz CLMQSSRZXBHDDV-VWYCJHECSA-N -1 0 324.424 -0.114 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC2(CCN(C)C2=O)CC1 ZINC000888328523 678463466 /nfs/dbraw/zinc/46/34/66/678463466.db2.gz QBOPQYUWJJOOHV-UHFFFAOYSA-N -1 0 307.358 -0.409 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC000888341981 678465962 /nfs/dbraw/zinc/46/59/62/678465962.db2.gz XZWBWVLEPIQMRF-UHFFFAOYSA-N -1 0 322.373 -0.520 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(N2CCCC2=O)CC1 ZINC000888339834 678466483 /nfs/dbraw/zinc/46/64/83/678466483.db2.gz QXEJFEPYWFXKKQ-UHFFFAOYSA-N -1 0 307.358 -0.266 20 0 DBADRM C[C@@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001032499222 678478181 /nfs/dbraw/zinc/47/81/81/678478181.db2.gz UPYGKKFAWLEVRY-VGMNWLOBSA-N -1 0 311.317 -0.070 20 0 DBADRM C[C@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001032499220 678478487 /nfs/dbraw/zinc/47/84/87/678478487.db2.gz UPYGKKFAWLEVRY-CIUDSAMLSA-N -1 0 311.317 -0.070 20 0 DBADRM CC[C@@H](F)CN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001032499342 678479293 /nfs/dbraw/zinc/47/92/93/678479293.db2.gz YAYZMCFEHOEELN-VGMNWLOBSA-N -1 0 311.317 -0.070 20 0 DBADRM O=C(N[C@@H]1CCC[C@H]1CNC(=O)c1ccnnc1)c1cn[nH]n1 ZINC000946251085 678485224 /nfs/dbraw/zinc/48/52/24/678485224.db2.gz ZYJCIUBGPZPQKJ-GXSJLCMTSA-N -1 0 315.337 -0.077 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCC[C@@H]1CNC(C)=O ZINC000946254423 678485558 /nfs/dbraw/zinc/48/55/58/678485558.db2.gz RLRIUKPDJZWJFG-RKDXNWHRSA-N -1 0 324.337 -0.069 20 0 DBADRM NC(=O)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1O ZINC000946294929 678499278 /nfs/dbraw/zinc/49/92/78/678499278.db2.gz UUYRMESXZAQIDU-KOLCDFICSA-N -1 0 305.334 -0.108 20 0 DBADRM NC(=O)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ncccc1O ZINC000946292513 678499328 /nfs/dbraw/zinc/49/93/28/678499328.db2.gz MNTOHSPAJKVDOD-BDAKNGLRSA-N -1 0 306.322 -0.713 20 0 DBADRM NC(=O)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccccc1O ZINC000946294928 678499513 /nfs/dbraw/zinc/49/95/13/678499513.db2.gz UUYRMESXZAQIDU-GXSJLCMTSA-N -1 0 305.334 -0.108 20 0 DBADRM Cn1c(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)c[nH]c1=O ZINC001032561393 678527291 /nfs/dbraw/zinc/52/72/91/678527291.db2.gz NRBZMRYFUCLIIJ-YUMQZZPRSA-N -1 0 319.325 -0.952 20 0 DBADRM CC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000946410836 678531011 /nfs/dbraw/zinc/53/10/11/678531011.db2.gz MBWOAHKYIXAHNT-VHSXEESVSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1cnn(C)c1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032574730 678532123 /nfs/dbraw/zinc/53/21/23/678532123.db2.gz SJVKZABYKSRBIY-UWVGGRQHSA-N -1 0 317.353 -0.349 20 0 DBADRM O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032575747 678532596 /nfs/dbraw/zinc/53/25/96/678532596.db2.gz VGCHNEIDBKPMSQ-OFKSJOQMSA-N -1 0 305.338 -0.812 20 0 DBADRM Cc1ncc(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)n1C ZINC000998162794 678566838 /nfs/dbraw/zinc/56/68/38/678566838.db2.gz JJSFOCCBDYRLDX-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@]3(C)CCOC3)C2)c1[O-] ZINC000998405187 678597817 /nfs/dbraw/zinc/59/78/17/678597817.db2.gz BUXVCSUKSMRZBQ-CQSZACIVSA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1ccn(CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)n1 ZINC001032635413 678609440 /nfs/dbraw/zinc/60/94/40/678609440.db2.gz NUZSWGHXDMYZAC-QWRGUYRKSA-N -1 0 317.353 -0.499 20 0 DBADRM CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC000998815074 678649676 /nfs/dbraw/zinc/64/96/76/678649676.db2.gz SQGSBLRMLMHVDN-VGMNWLOBSA-N -1 0 321.337 -0.055 20 0 DBADRM CC[C@@]1(C)C[C@@H]1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000998859780 678652038 /nfs/dbraw/zinc/65/20/38/678652038.db2.gz ANDUJXFVNIWJEL-CLAHSXSESA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](NCc3cn(C)nn3)C2)c1[O-] ZINC000998953704 678660463 /nfs/dbraw/zinc/66/04/63/678660463.db2.gz KKIPXKUNDQROMM-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000999093741 678672565 /nfs/dbraw/zinc/67/25/65/678672565.db2.gz MRFXKICZJRRCPB-YUMQZZPRSA-N -1 0 309.326 -0.938 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3n[nH]cc3F)C2)c1[O-] ZINC000999184222 678682172 /nfs/dbraw/zinc/68/21/72/678682172.db2.gz LZECWDZJRWJILZ-UHFFFAOYSA-N -1 0 308.273 -0.460 20 0 DBADRM O=C(c1ccncn1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032689725 678694699 /nfs/dbraw/zinc/69/46/99/678694699.db2.gz CHHFKMNFAGNOIQ-IUCAKERBSA-N -1 0 301.310 -0.601 20 0 DBADRM CC(C)(C)C(=O)NC1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000999391945 678715005 /nfs/dbraw/zinc/71/50/05/678715005.db2.gz YOIPKJZRXJHDDU-UHFFFAOYSA-N -1 0 323.353 -0.412 20 0 DBADRM Cc1conc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032719407 678735403 /nfs/dbraw/zinc/73/54/03/678735403.db2.gz FUASGPYBSPKAGW-IUCAKERBSA-N -1 0 304.310 -0.094 20 0 DBADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1C[C@@H]2C[C@H]1CN2CCO ZINC001032730205 678800450 /nfs/dbraw/zinc/80/04/50/678800450.db2.gz ZYLAYCGTHNUXKM-IUCAKERBSA-N -1 0 304.306 -0.181 20 0 DBADRM CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001032755698 678814480 /nfs/dbraw/zinc/81/44/80/678814480.db2.gz IVXDJBOIMJUOFQ-UTLUCORTSA-N -1 0 311.342 -0.991 20 0 DBADRM Cc1nccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)n1 ZINC001032788340 678838974 /nfs/dbraw/zinc/83/89/74/678838974.db2.gz WQPOIVVHMBNSEM-UWVGGRQHSA-N -1 0 315.337 -0.292 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1COCCO1 ZINC001000464674 678842658 /nfs/dbraw/zinc/84/26/58/678842658.db2.gz HYISZLGIMCPJMX-NSHDSACASA-N -1 0 323.353 -0.826 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2=CCN(CC(=O)N(C)C)CC2)c1[O-] ZINC001000586530 678856700 /nfs/dbraw/zinc/85/67/00/678856700.db2.gz BGWZEVHVUCJXQU-UHFFFAOYSA-N -1 0 321.381 -0.126 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(CNC(=O)C2CCC2)C1 ZINC001000602347 678858183 /nfs/dbraw/zinc/85/81/83/678858183.db2.gz CDZADFMRBUUGMA-UHFFFAOYSA-N -1 0 309.326 -0.936 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cn[nH]n1 ZINC001000893754 678879960 /nfs/dbraw/zinc/87/99/60/678879960.db2.gz HPAAWQGKYAYKKA-UHFFFAOYSA-N -1 0 304.314 -0.810 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3cn[nH]c3)C2)c1[O-] ZINC001001021478 678893583 /nfs/dbraw/zinc/89/35/83/678893583.db2.gz BUPQGVUQKBYHLY-UHFFFAOYSA-N -1 0 304.310 -0.351 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnon1 ZINC001001278801 678923966 /nfs/dbraw/zinc/92/39/66/678923966.db2.gz NJHOMSREPVKXBU-UHFFFAOYSA-N -1 0 305.298 -0.545 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cncnc1 ZINC001001334589 678927031 /nfs/dbraw/zinc/92/70/31/678927031.db2.gz GCCGTGMJZYICIK-UHFFFAOYSA-N -1 0 317.353 -0.058 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001001382919 678930126 /nfs/dbraw/zinc/93/01/26/678930126.db2.gz DGXMZDCQZLOUKD-JTQLQIEISA-N -1 0 320.353 -0.963 20 0 DBADRM CC1CC(C(=O)NCC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC001001388537 678930338 /nfs/dbraw/zinc/93/03/38/678930338.db2.gz ZBCSSTSVUOKXHC-UHFFFAOYSA-N -1 0 323.353 -0.690 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)C(C)(C)C(N)=O)C2)c1[O-] ZINC001001455658 678933333 /nfs/dbraw/zinc/93/33/33/678933333.db2.gz DJSUUXAADRGICH-UHFFFAOYSA-N -1 0 323.353 -0.877 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3cncnc3)C2)c1[O-] ZINC001001455631 678933361 /nfs/dbraw/zinc/93/33/61/678933361.db2.gz OGJNCNOPOLSOHR-UHFFFAOYSA-N -1 0 316.321 -0.284 20 0 DBADRM Cn1ccc(C(=O)NCC2=CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001001446768 678935517 /nfs/dbraw/zinc/93/55/17/678935517.db2.gz VKYCXTCGRLGTDP-UHFFFAOYSA-N -1 0 317.353 -0.194 20 0 DBADRM Cc1cc(C(=O)N2CC(CNC(=O)c3[nH]nc(C)c3[O-])C2)[nH]n1 ZINC001001454683 678936284 /nfs/dbraw/zinc/93/62/84/678936284.db2.gz KPWSRAUXRMFWEK-UHFFFAOYSA-N -1 0 318.337 -0.043 20 0 DBADRM Cc1nn[nH]c1C(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001001704826 678951370 /nfs/dbraw/zinc/95/13/70/678951370.db2.gz KPFWQYLOZLZVJZ-UHFFFAOYSA-N -1 0 320.357 -0.421 20 0 DBADRM CC(=O)N1CCNC(=O)CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001001737731 678954579 /nfs/dbraw/zinc/95/45/79/678954579.db2.gz CPOBQTXVDRJYSC-UHFFFAOYSA-N -1 0 323.353 -0.766 20 0 DBADRM COCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1[O-])C2 ZINC001002042751 678968093 /nfs/dbraw/zinc/96/80/93/678968093.db2.gz IZAQDSMZCJPZQA-BBBLOLIVSA-N -1 0 308.338 -0.068 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001002061358 678968406 /nfs/dbraw/zinc/96/84/06/678968406.db2.gz DCFJTPWWCHVSLJ-JTQLQIEISA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1COCCO1 ZINC001002370761 678979421 /nfs/dbraw/zinc/97/94/21/678979421.db2.gz KJWDIEXBBYYDKH-SNVBAGLBSA-N -1 0 311.342 -0.994 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002463776 678984936 /nfs/dbraw/zinc/98/49/36/678984936.db2.gz YDHXLPOHBYEASL-VHSXEESVSA-N -1 0 323.353 -0.600 20 0 DBADRM Cc1nonc1C(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001002929214 679011081 /nfs/dbraw/zinc/01/10/81/679011081.db2.gz OPQGQYPJDMUCSA-UHFFFAOYSA-N -1 0 320.309 -0.383 20 0 DBADRM Cc1nc[nH]c1C(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001003148876 679026267 /nfs/dbraw/zinc/02/62/67/679026267.db2.gz ZUIXTRQIYFAUJL-UHFFFAOYSA-N -1 0 318.337 -0.043 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003390583 679037504 /nfs/dbraw/zinc/03/75/04/679037504.db2.gz CHOCWAQNOALGEH-APPZFPTMSA-N -1 0 321.337 -0.483 20 0 DBADRM CC[C@H](C)C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003393579 679037510 /nfs/dbraw/zinc/03/75/10/679037510.db2.gz MZJPPLBHRDWXBF-ZETCQYMHSA-N -1 0 309.326 -0.483 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003394155 679037604 /nfs/dbraw/zinc/03/76/04/679037604.db2.gz VMNNDEVQRLPVEE-POYBYMJQSA-N -1 0 307.310 -0.873 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003390585 679037612 /nfs/dbraw/zinc/03/76/12/679037612.db2.gz CHOCWAQNOALGEH-IONNQARKSA-N -1 0 321.337 -0.483 20 0 DBADRM CC[C@H](C)C(=O)N1CC(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001003546707 679048284 /nfs/dbraw/zinc/04/82/84/679048284.db2.gz IAIWSPDFWNNHLJ-VIFPVBQESA-N -1 0 322.365 -0.280 20 0 DBADRM CC(C)=CC(=O)N1CC(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001003548504 679048495 /nfs/dbraw/zinc/04/84/95/679048495.db2.gz PATSMYVPLMKAGJ-UHFFFAOYSA-N -1 0 320.349 -0.360 20 0 DBADRM CN(C(=O)C1CCOCC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032868511 679068153 /nfs/dbraw/zinc/06/81/53/679068153.db2.gz UVQMGZXUJXOJQJ-NSHDSACASA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1cnn(CC(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001032938892 679082750 /nfs/dbraw/zinc/08/27/50/679082750.db2.gz SYRXXJSRENEKGE-NSHDSACASA-N -1 0 319.369 -0.252 20 0 DBADRM Cc1cc(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001032938349 679082803 /nfs/dbraw/zinc/08/28/03/679082803.db2.gz PVQSEACAFIAGQK-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1cc(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001032934863 679083378 /nfs/dbraw/zinc/08/33/78/679083378.db2.gz JBUMPGZLSQAYRD-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CC(=O)N(C)C1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001003947843 679092503 /nfs/dbraw/zinc/09/25/03/679092503.db2.gz PAXBCGIMONLGRB-UHFFFAOYSA-N -1 0 309.326 -0.198 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(Cc3cnnn3C)C2)c1[O-] ZINC001033011167 679098376 /nfs/dbraw/zinc/09/83/76/679098376.db2.gz YVXFXZPXPQXYLU-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(Cc3cnnn3C)C2)c1[O-] ZINC001033011169 679098453 /nfs/dbraw/zinc/09/84/53/679098453.db2.gz YVXFXZPXPQXYLU-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(Cc3cn(C)nn3)C2)c1[O-] ZINC001033013224 679099584 /nfs/dbraw/zinc/09/95/84/679099584.db2.gz DCFCPYRGXZKFPY-NSHDSACASA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN([C@H]3CCCNC3=O)C2)c1[O-] ZINC001033013448 679099727 /nfs/dbraw/zinc/09/97/27/679099727.db2.gz FJZNJLSEZFPIRL-QWRGUYRKSA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001004051744 679100838 /nfs/dbraw/zinc/10/08/38/679100838.db2.gz AEPOGDJWLLNNIA-UHFFFAOYSA-N -1 0 319.369 -0.135 20 0 DBADRM Cc1cc(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1 ZINC001033050580 679112638 /nfs/dbraw/zinc/11/26/38/679112638.db2.gz WQLFKKPCBWXLJB-LLVKDONJSA-N -1 0 317.353 -0.045 20 0 DBADRM COc1ccc(CCS(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC000841782818 805577834 /nfs/dbraw/zinc/57/78/34/805577834.db2.gz IYCFPOYKIRINBC-CYBMUJFWSA-N -1 0 317.363 -0.007 20 0 DBADRM C/C=C(\C)C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001295735795 805588253 /nfs/dbraw/zinc/58/82/53/805588253.db2.gz FUPWDMAZARMDSX-QZGLAHODSA-N -1 0 321.337 -0.173 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCCN(C)C(=O)OC ZINC000842355899 805590542 /nfs/dbraw/zinc/59/05/42/805590542.db2.gz ASTXNLJTNDXYPO-UHFFFAOYSA-N -1 0 324.355 -0.526 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cnccn2)CC1=O ZINC000842323409 805590793 /nfs/dbraw/zinc/59/07/93/805590793.db2.gz UNKYWLLBHVHLRS-VIFPVBQESA-N -1 0 312.351 -0.460 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000842334212 805590883 /nfs/dbraw/zinc/59/08/83/805590883.db2.gz QAOHPSFGMGBECN-HTQZYQBOSA-N -1 0 323.367 -0.028 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)CC1=O ZINC000842326808 805590950 /nfs/dbraw/zinc/59/09/50/805590950.db2.gz GAPJMJJWBKOIEC-MNOVXSKESA-N -1 0 318.395 -0.273 20 0 DBADRM O=C([N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)C1(F)CC1 ZINC000842674846 805595794 /nfs/dbraw/zinc/59/57/94/805595794.db2.gz GVNQSGBHKDXBQQ-UHFFFAOYSA-N -1 0 311.298 -0.031 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCCS(=O)(=O)CC2CC2)cn1 ZINC000842684819 805595896 /nfs/dbraw/zinc/59/58/96/805595896.db2.gz OEOHYCOIXDYYRZ-UHFFFAOYSA-N -1 0 313.335 -0.271 20 0 DBADRM CC1N=NC(=S)N1CCNC(=O)c1cnc(C(=O)[O-])cn1 ZINC000842652958 805596019 /nfs/dbraw/zinc/59/60/19/805596019.db2.gz ZYHKIZFCKZLXCM-UHFFFAOYSA-N -1 0 308.323 -0.207 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)C2(C(F)F)CC2)cc1C(N)=O ZINC000842675101 805596081 /nfs/dbraw/zinc/59/60/81/805596081.db2.gz AQVFTNYXMDIYLI-UHFFFAOYSA-N -1 0 321.305 -0.026 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2)S1(=O)=O ZINC000842673146 805596124 /nfs/dbraw/zinc/59/61/24/805596124.db2.gz FNJJWEPQJRFXLD-SNVBAGLBSA-N -1 0 318.376 -0.475 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CC(=O)[O-])cn1 ZINC000842697534 805596711 /nfs/dbraw/zinc/59/67/11/805596711.db2.gz WMBICKNDTBYSIU-ZETCQYMHSA-N -1 0 301.324 -0.417 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)C1(OC)CC1 ZINC000842711155 805597218 /nfs/dbraw/zinc/59/72/18/805597218.db2.gz ZXGNKVIUZXULEI-SECBINFHSA-N -1 0 320.367 -0.446 20 0 DBADRM CC(C)=CC(=O)N[C@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001295890688 805597291 /nfs/dbraw/zinc/59/72/91/805597291.db2.gz WGXXAZIXBIIBIK-MRVPVSSYSA-N -1 0 309.326 -0.126 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)CC(F)(F)F)S1(=O)=O ZINC000842725141 805597898 /nfs/dbraw/zinc/59/78/98/805597898.db2.gz QCVSASONRFFYGL-YFKPBYRVSA-N -1 0 324.302 -0.971 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCc2ncncc2C1 ZINC000842714690 805598151 /nfs/dbraw/zinc/59/81/51/805598151.db2.gz SNFAQDDCURTNNS-MRVPVSSYSA-N -1 0 313.335 -0.800 20 0 DBADRM COc1ccnc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000842722453 805598321 /nfs/dbraw/zinc/59/83/21/805598321.db2.gz HNZHVTYOSGJZEE-UHFFFAOYSA-N -1 0 301.324 -0.603 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cc[n+]([O-])cc1 ZINC000842717353 805598480 /nfs/dbraw/zinc/59/84/80/805598480.db2.gz XNEGMFMRXHGYJH-UHFFFAOYSA-N -1 0 302.308 -0.667 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)Cc1nc(C2CC2)nn1C ZINC000842714795 805598616 /nfs/dbraw/zinc/59/86/16/805598616.db2.gz VYHYTTYYZOJKQF-UHFFFAOYSA-N -1 0 316.383 -0.283 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)CC1(COC)CC1 ZINC000842739801 805599267 /nfs/dbraw/zinc/59/92/67/805599267.db2.gz GOGHHDQMIKRQGW-UHFFFAOYSA-N -1 0 309.384 -0.088 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)CC2CCC2)S1(=O)=O ZINC000842741160 805599395 /nfs/dbraw/zinc/59/93/95/805599395.db2.gz RPOPYFXHJBELGP-SECBINFHSA-N -1 0 310.397 -0.734 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)CC2CCC2)S1(=O)=O ZINC000842741161 805599617 /nfs/dbraw/zinc/59/96/17/805599617.db2.gz RPOPYFXHJBELGP-VIFPVBQESA-N -1 0 310.397 -0.734 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000842771148 805599894 /nfs/dbraw/zinc/59/98/94/805599894.db2.gz FVFWULFFZNYKMV-DTWKUNHWSA-N -1 0 309.322 -0.733 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C(=O)CNC(C)=O)c(C)o1 ZINC000842886415 805602795 /nfs/dbraw/zinc/60/27/95/805602795.db2.gz WGJHAURYVPFDLC-UHFFFAOYSA-N -1 0 318.307 -0.684 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000843257007 805613318 /nfs/dbraw/zinc/61/33/18/805613318.db2.gz JSTWOGKIRFZHBY-JTQLQIEISA-N -1 0 314.338 -0.231 20 0 DBADRM CCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1=O ZINC000843256443 805613365 /nfs/dbraw/zinc/61/33/65/805613365.db2.gz FTSSXYOLELAXDL-AEJSXWLSSA-N -1 0 311.338 -0.907 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCCC(=O)[O-])CC1(C)OCCO1 ZINC000843256446 805613391 /nfs/dbraw/zinc/61/33/91/805613391.db2.gz FTZXQTQMUUOOOR-SNVBAGLBSA-N -1 0 316.354 -0.127 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCc2ccnn2C)C[C@H]1C(=O)[O-] ZINC000843257710 805613428 /nfs/dbraw/zinc/61/34/28/805613428.db2.gz SXDFSEYFSCNTCW-ZYHUDNBSSA-N -1 0 322.365 -0.352 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@]23CCOC3=O)C1 ZINC000843260415 805614696 /nfs/dbraw/zinc/61/46/96/805614696.db2.gz XEZBHMYNSCXBHF-HFBDOXOYSA-N -1 0 324.333 -0.336 20 0 DBADRM C[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@@H]1C(=O)[O-] ZINC000843334717 805618039 /nfs/dbraw/zinc/61/80/39/805618039.db2.gz KMHMPJGBZHOVQV-UWVGGRQHSA-N -1 0 309.322 -0.504 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)cn1 ZINC000843333058 805618095 /nfs/dbraw/zinc/61/80/95/805618095.db2.gz IAJIBSBAPXWQIV-QMMMGPOBSA-N -1 0 318.293 -0.318 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cn2c(n1)CCC2 ZINC000843867106 805638081 /nfs/dbraw/zinc/63/80/81/805638081.db2.gz WHDGCETVCPWSPZ-UHFFFAOYSA-N -1 0 300.340 -0.975 20 0 DBADRM CC[C@H](C)C[C@@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000844037893 805642050 /nfs/dbraw/zinc/64/20/50/805642050.db2.gz VCFZTHGBYAUJGG-UWVGGRQHSA-N -1 0 307.354 -0.016 20 0 DBADRM COCCCN(CCO)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001296551305 805642072 /nfs/dbraw/zinc/64/20/72/805642072.db2.gz AEFLTLMBBZSXGK-UHFFFAOYSA-N -1 0 302.331 -0.673 20 0 DBADRM CC[C@@H](C)C[C@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000844037892 805642149 /nfs/dbraw/zinc/64/21/49/805642149.db2.gz VCFZTHGBYAUJGG-NXEZZACHSA-N -1 0 307.354 -0.016 20 0 DBADRM C/C=C(/C)C(=O)N(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001296608446 805644977 /nfs/dbraw/zinc/64/49/77/805644977.db2.gz XWKRNCBJOUWCRO-OQFOIZHKSA-N -1 0 323.353 -0.237 20 0 DBADRM O=C(NCCc1n[n-]c(=S)o1)C1CC2(C1)CS(=O)(=O)C2 ZINC001296733765 805648699 /nfs/dbraw/zinc/64/86/99/805648699.db2.gz HUARZXIHFMTEHS-UHFFFAOYSA-N -1 0 317.392 -0.158 20 0 DBADRM CC[C@H](CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000844157507 805649919 /nfs/dbraw/zinc/64/99/19/805649919.db2.gz CRLRWLOKOXFSHN-VUHVRTRXSA-N -1 0 309.322 -0.676 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000844144590 805650185 /nfs/dbraw/zinc/65/01/85/805650185.db2.gz LOJXPFVGCIOICM-QMMMGPOBSA-N -1 0 308.356 -0.590 20 0 DBADRM Cn1c(N2CC[C@](C)(C(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000844217548 805652621 /nfs/dbraw/zinc/65/26/21/805652621.db2.gz CUPYJUIJNICIAJ-ZDUSSCGKSA-N -1 0 307.310 -0.326 20 0 DBADRM Cn1c(N2CC[C@@](C)(C(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000844217547 805653449 /nfs/dbraw/zinc/65/34/49/805653449.db2.gz CUPYJUIJNICIAJ-CYBMUJFWSA-N -1 0 307.310 -0.326 20 0 DBADRM O=C([O-])COCC(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000844243971 805654004 /nfs/dbraw/zinc/65/40/04/805654004.db2.gz NQLMRADXVSQUDK-MRVPVSSYSA-N -1 0 319.260 -0.078 20 0 DBADRM O=C([O-])COCC(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000844243733 805654321 /nfs/dbraw/zinc/65/43/21/805654321.db2.gz GPWSZDNVRJRNML-SNVBAGLBSA-N -1 0 320.301 -0.069 20 0 DBADRM CC(C)(CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1)S(C)(=O)=O ZINC001325431154 807070105 /nfs/dbraw/zinc/07/01/05/807070105.db2.gz JMIZLJKLFRAWNV-SECBINFHSA-N -1 0 322.383 -0.990 20 0 DBADRM CN(CC(=O)NCc1cccs1)C(=O)COCC(=O)[O-] ZINC000844242501 805654358 /nfs/dbraw/zinc/65/43/58/805654358.db2.gz BOPJDIDLNYAMSD-UHFFFAOYSA-N -1 0 300.336 -0.076 20 0 DBADRM O=C([O-])COCC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000844250427 805654947 /nfs/dbraw/zinc/65/49/47/805654947.db2.gz SDSOOJUIAZELJC-VHSXEESVSA-N -1 0 305.352 -0.344 20 0 DBADRM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)COCC(=O)[O-])C1 ZINC000844246999 805655379 /nfs/dbraw/zinc/65/53/79/805655379.db2.gz FVFFMKGDUDOGNL-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)COCC(=O)[O-] ZINC000844245584 805655408 /nfs/dbraw/zinc/65/54/08/805655408.db2.gz LZTGAEFMNOKPST-LBPRGKRZSA-N -1 0 308.334 -0.097 20 0 DBADRM COc1ccc(NC(=O)COCC(=O)[O-])cc1-n1cnnn1 ZINC000844248565 805655584 /nfs/dbraw/zinc/65/55/84/805655584.db2.gz NUKIDOVGFQDLEK-UHFFFAOYSA-N -1 0 307.266 -0.289 20 0 DBADRM CCc1nsc(N2CCN(C(=O)COCC(=O)[O-])CC2)n1 ZINC000844246737 805655678 /nfs/dbraw/zinc/65/56/78/805655678.db2.gz QIWIGFNZRLQVOU-UHFFFAOYSA-N -1 0 314.367 -0.150 20 0 DBADRM CCOC(=O)[C@@H](NC(=O)COCC(=O)[O-])[C@H]1CCCOC1 ZINC000844255620 805656435 /nfs/dbraw/zinc/65/64/35/805656435.db2.gz WYBKUSYTCYJTJS-CABZTGNLSA-N -1 0 303.311 -0.438 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000844255636 805656883 /nfs/dbraw/zinc/65/68/83/805656883.db2.gz XFQVWLFMAQIQER-JTQLQIEISA-N -1 0 314.338 -0.423 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1cnc(OC)c(C(N)=O)c1 ZINC000844564361 805664355 /nfs/dbraw/zinc/66/43/55/805664355.db2.gz ULVVDNZNNXOYRH-UHFFFAOYSA-N -1 0 311.298 -0.622 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000844787876 805671940 /nfs/dbraw/zinc/67/19/40/805671940.db2.gz WYODPJKOVGYYPE-JMJZKYOTSA-N -1 0 307.368 -0.037 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000844787874 805671984 /nfs/dbraw/zinc/67/19/84/805671984.db2.gz WYODPJKOVGYYPE-GDPRMGEGSA-N -1 0 307.368 -0.037 20 0 DBADRM Cc1cc(C(=O)NCCc2nc(=O)o[n-]2)c2cnn(C)c2n1 ZINC001297166960 805682504 /nfs/dbraw/zinc/68/25/04/805682504.db2.gz HDYRQBUVLDYRKV-UHFFFAOYSA-N -1 0 302.294 -0.074 20 0 DBADRM CC/C=C(/C)C(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001297240991 805691306 /nfs/dbraw/zinc/69/13/06/805691306.db2.gz GPOTYUUXIHYUPW-WTKPLQERSA-N -1 0 323.353 -0.380 20 0 DBADRM C/C=C(\C)C(=O)NC[C@H](CC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001297384290 805703518 /nfs/dbraw/zinc/70/35/18/805703518.db2.gz ZFBOIVODBQLCSO-SGDMMICCSA-N -1 0 311.342 -0.334 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)co1 ZINC000845451610 805703661 /nfs/dbraw/zinc/70/36/61/805703661.db2.gz ZKLIZDKEEQSXRO-UHFFFAOYSA-N -1 0 322.364 -0.247 20 0 DBADRM CO[C@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)C(F)(F)F ZINC000845474416 805706259 /nfs/dbraw/zinc/70/62/59/805706259.db2.gz JTLZEIIQMQBLBH-SSDOTTSWSA-N -1 0 320.289 -0.353 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC=CC1 ZINC001297450019 805707089 /nfs/dbraw/zinc/70/70/89/805707089.db2.gz RBQURCUZNVPAOA-VIFPVBQESA-N -1 0 321.337 -0.126 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@@H](OC)C(F)(F)F ZINC000845512957 805708340 /nfs/dbraw/zinc/70/83/40/805708340.db2.gz HNSJFEMVEUADSC-PHDIDXHHSA-N -1 0 321.273 -0.039 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000845531830 805709621 /nfs/dbraw/zinc/70/96/21/805709621.db2.gz HXHKYWKQGWMHGY-IUCAKERBSA-N -1 0 307.372 -0.729 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000845540453 805712905 /nfs/dbraw/zinc/71/29/05/805712905.db2.gz ODYIFAIXZGBVHY-UHFFFAOYSA-N -1 0 320.349 -0.161 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000845542364 805712992 /nfs/dbraw/zinc/71/29/92/805712992.db2.gz WMABFHSGNRGPPT-WDEREUQCSA-N -1 0 312.370 -0.246 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(C(=O)N(C)OC)CC1 ZINC000845533679 805710569 /nfs/dbraw/zinc/71/05/69/805710569.db2.gz YSTFAQGMZROUEU-UHFFFAOYSA-N -1 0 316.358 -0.505 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000845536375 805710717 /nfs/dbraw/zinc/71/07/17/805710717.db2.gz PHKLFCYVEMNEJX-BDAKNGLRSA-N -1 0 300.315 -0.806 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(CCO)Cc1ccnn1CC ZINC000845536343 805710780 /nfs/dbraw/zinc/71/07/80/805710780.db2.gz VQYDNPXMQRXEFM-UHFFFAOYSA-N -1 0 313.358 -0.525 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@H](OCCOC)C1 ZINC000845534508 805710806 /nfs/dbraw/zinc/71/08/06/805710806.db2.gz FNRRKZBSDXJWIV-NSHDSACASA-N -1 0 303.359 -0.109 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000845533734 805711190 /nfs/dbraw/zinc/71/11/90/805711190.db2.gz AGNSNCSBTNBKFJ-GWCFXTLKSA-N -1 0 301.343 -0.357 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1c(CC)nn(C)c1OC ZINC000845539920 805711863 /nfs/dbraw/zinc/71/18/63/805711863.db2.gz LPKZSJZEASWPLV-UHFFFAOYSA-N -1 0 313.358 -0.142 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCC[C@H](S(C)(=O)=O)C1 ZINC000845538319 805711987 /nfs/dbraw/zinc/71/19/87/805711987.db2.gz MNQLOYGMAPWMEB-JTQLQIEISA-N -1 0 321.399 -0.337 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@H](COC(C)C)C1 ZINC000845539036 805712000 /nfs/dbraw/zinc/71/20/00/805712000.db2.gz ALJITXWASWFBJU-NSHDSACASA-N -1 0 303.359 -0.111 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(CC)C(=O)[C@@H]1CC ZINC000845538427 805712042 /nfs/dbraw/zinc/71/20/42/805712042.db2.gz TUGKWDAHRGTSII-JTQLQIEISA-N -1 0 300.359 -0.294 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCc1cn2c(n1)SCC2 ZINC000845538323 805712200 /nfs/dbraw/zinc/71/22/00/805712200.db2.gz MNSBGJYDOCCNDE-UHFFFAOYSA-N -1 0 313.383 -0.102 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000845538764 805712231 /nfs/dbraw/zinc/71/22/31/805712231.db2.gz YEFHEROJPCADER-SNVBAGLBSA-N -1 0 313.358 -0.747 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000845542685 805713110 /nfs/dbraw/zinc/71/31/10/805713110.db2.gz WBSVBQQYROELEE-VHSXEESVSA-N -1 0 300.359 -0.213 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCOC2(CCOCC2)C1 ZINC000845541878 805713400 /nfs/dbraw/zinc/71/34/00/805713400.db2.gz LIYFOHQMGRQARX-UHFFFAOYSA-N -1 0 301.343 -0.355 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000845540896 805713452 /nfs/dbraw/zinc/71/34/52/805713452.db2.gz KXJBBXOIOWZFKM-NSHDSACASA-N -1 0 310.358 -0.233 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1cccc(OCC(N)=O)c1 ZINC000845545853 805713936 /nfs/dbraw/zinc/71/39/36/805713936.db2.gz SOJFANAAMDQGKU-UHFFFAOYSA-N -1 0 324.337 -0.582 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000845546325 805714395 /nfs/dbraw/zinc/71/43/95/805714395.db2.gz QWGBJLJBAGMQCL-RKDXNWHRSA-N -1 0 309.388 -0.483 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000845546890 805714409 /nfs/dbraw/zinc/71/44/09/805714409.db2.gz FSZAOTKQNFEORQ-WDEREUQCSA-N -1 0 302.375 -0.538 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000845545303 805714510 /nfs/dbraw/zinc/71/45/10/805714510.db2.gz PNNRSGSHOHBODF-ZJUUUORDSA-N -1 0 321.399 -0.291 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1nnnn1-c1ccccc1 ZINC000845547181 805714691 /nfs/dbraw/zinc/71/46/91/805714691.db2.gz KIEIFMCDRAVJFO-UHFFFAOYSA-N -1 0 319.325 -0.471 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(c2ccccn2)CC1 ZINC000845553816 805715866 /nfs/dbraw/zinc/71/58/66/805715866.db2.gz ZPGWIMXNHSLYMM-UHFFFAOYSA-N -1 0 307.354 -0.019 20 0 DBADRM CCn1ccc(CC(=O)[N-]S(=O)(=O)c2cn(C)nc2C)n1 ZINC000845570879 805719836 /nfs/dbraw/zinc/71/98/36/805719836.db2.gz OAPWSCOGXAQGMR-UHFFFAOYSA-N -1 0 311.367 -0.007 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)C[C@@H](C)n1ccnc1 ZINC000845568680 805719098 /nfs/dbraw/zinc/71/90/98/805719098.db2.gz DDURGDYTDGGGHB-SECBINFHSA-N -1 0 303.340 -0.157 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccn1C ZINC000845603961 805721099 /nfs/dbraw/zinc/72/10/99/805721099.db2.gz ZPGLVTSETGNMKM-UHFFFAOYSA-N -1 0 301.368 -0.008 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCCn2cnnn2)c1 ZINC000845794601 805726292 /nfs/dbraw/zinc/72/62/92/805726292.db2.gz SALCGEIDYDENOY-NRFANRHFSA-N -1 0 309.351 -0.394 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(C)=O)c1 ZINC000845876922 805730853 /nfs/dbraw/zinc/73/08/53/805730853.db2.gz AWSBYYNIODNRIU-ZCFIWIBFSA-N -1 0 318.307 -0.604 20 0 DBADRM O=C([N-]OCC(F)F)[C@H](CO)NC(=O)c1cccc(F)n1 ZINC000845944146 805735148 /nfs/dbraw/zinc/73/51/48/805735148.db2.gz NKJYNTFQXINMSA-ZETCQYMHSA-N -1 0 307.228 -0.376 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000846002063 805740318 /nfs/dbraw/zinc/74/03/18/805740318.db2.gz LPSJFKHTBTZKIA-UHFFFAOYSA-N -1 0 316.335 -0.181 20 0 DBADRM CC(C)(CO)O[N-]C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC001298079137 805743549 /nfs/dbraw/zinc/74/35/49/805743549.db2.gz WZIGOMBFVARFFL-UHFFFAOYSA-N -1 0 320.342 -0.077 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(C(=O)OC)c1 ZINC000846130165 805744048 /nfs/dbraw/zinc/74/40/48/805744048.db2.gz GBCSNCLZXOOKRT-UHFFFAOYSA-N -1 0 323.305 -0.404 20 0 DBADRM CCn1ccc(CC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)n1 ZINC000846118067 805744593 /nfs/dbraw/zinc/74/45/93/805744593.db2.gz KHOCMXMHUZMNHR-UHFFFAOYSA-N -1 0 304.310 -0.181 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000846131866 805745293 /nfs/dbraw/zinc/74/52/93/805745293.db2.gz SUBADRWMKLFJAA-SNVBAGLBSA-N -1 0 321.333 -0.016 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](C)Oc2ccccc21 ZINC000846131863 805745331 /nfs/dbraw/zinc/74/53/31/805745331.db2.gz SUBADRWMKLFJAA-JTQLQIEISA-N -1 0 321.333 -0.016 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(OC)nc1C ZINC000846133094 805745407 /nfs/dbraw/zinc/74/54/07/805745407.db2.gz KGSNLYBKFBRBGD-UHFFFAOYSA-N -1 0 310.310 -0.479 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000846133232 805745562 /nfs/dbraw/zinc/74/55/62/805745562.db2.gz YENDIXZGCAJHGT-UHFFFAOYSA-N -1 0 312.351 -0.246 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000846131788 805745584 /nfs/dbraw/zinc/74/55/84/805745584.db2.gz WYUMHGLRFDRIBG-UHFFFAOYSA-N -1 0 323.305 -0.420 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000846133117 805745627 /nfs/dbraw/zinc/74/56/27/805745627.db2.gz WFGCHAMPLSOREW-UHFFFAOYSA-N -1 0 319.317 -0.062 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cnc(C)nc1C1CC1 ZINC000846132938 805745657 /nfs/dbraw/zinc/74/56/57/805745657.db2.gz QHSSGQFTIQBFCS-UHFFFAOYSA-N -1 0 321.337 -0.215 20 0 DBADRM COCCCC(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001298155601 805753138 /nfs/dbraw/zinc/75/31/38/805753138.db2.gz ZFJPERZIMNRCOX-SECBINFHSA-N -1 0 314.342 -0.943 20 0 DBADRM COCCCC(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001298155602 805753234 /nfs/dbraw/zinc/75/32/34/805753234.db2.gz ZFJPERZIMNRCOX-VIFPVBQESA-N -1 0 314.342 -0.943 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000846492886 805756743 /nfs/dbraw/zinc/75/67/43/805756743.db2.gz GFQTUGJJICCHDA-NWDGAFQWSA-N -1 0 322.321 -0.859 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cn1nnnc1-c1ccsc1 ZINC000846490550 805756900 /nfs/dbraw/zinc/75/69/00/805756900.db2.gz GFBAKXVYPNMVHJ-UHFFFAOYSA-N -1 0 310.339 -0.415 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ncccc1S(C)(=O)=O ZINC000846490760 805757054 /nfs/dbraw/zinc/75/70/54/805757054.db2.gz KNDNADCUEDVONC-UHFFFAOYSA-N -1 0 301.324 -0.717 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cc(Br)n(C)n1 ZINC000846489694 805757153 /nfs/dbraw/zinc/75/71/53/805757153.db2.gz BSVLCNFVKUJUOA-UHFFFAOYSA-N -1 0 305.132 -0.020 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(-n2cnnn2)c(C)c1 ZINC000846495477 805758011 /nfs/dbraw/zinc/75/80/11/805758011.db2.gz CDYYSIAIQNCSDX-UHFFFAOYSA-N -1 0 304.310 -0.232 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cn1c2ccccc2n(C)c1=O ZINC000846497376 805758079 /nfs/dbraw/zinc/75/80/79/805758079.db2.gz BIUIACGXJAEYIN-UHFFFAOYSA-N -1 0 306.322 -0.476 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000846497302 805758086 /nfs/dbraw/zinc/75/80/86/805758086.db2.gz KZWLLWVRQGTOPE-UHFFFAOYSA-N -1 0 315.351 -0.144 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O ZINC000846493854 805758498 /nfs/dbraw/zinc/75/84/98/805758498.db2.gz ICGSSHUGWCCCKL-LLVKDONJSA-N -1 0 321.399 -0.770 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CCN1C(=O)COc2ccccc21 ZINC000846496880 805758523 /nfs/dbraw/zinc/75/85/23/805758523.db2.gz FJZFSDXESJYJPX-UHFFFAOYSA-N -1 0 321.333 -0.014 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000846498475 805758949 /nfs/dbraw/zinc/75/89/49/805758949.db2.gz YMWRYTIAMIJLHJ-UHFFFAOYSA-N -1 0 300.359 -0.436 20 0 DBADRM CN(C)c1n[nH]c(C2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)n1 ZINC000846645169 805767507 /nfs/dbraw/zinc/76/75/07/805767507.db2.gz DOMNUKJCMYIBEJ-UHFFFAOYSA-N -1 0 305.342 -0.547 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000846711633 805772230 /nfs/dbraw/zinc/77/22/30/805772230.db2.gz BKJYXTKMJOQNEQ-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC1(C(=O)OC)CCOCC1 ZINC000846715265 805773066 /nfs/dbraw/zinc/77/30/66/805773066.db2.gz FREOYGOUJMCVHG-UHFFFAOYSA-N -1 0 317.342 -0.677 20 0 DBADRM O=C(CC1CCC1)NC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001298331514 805787883 /nfs/dbraw/zinc/78/78/83/805787883.db2.gz CLHQRRQWEUFICY-OWOJBTEDSA-N -1 0 323.353 -0.332 20 0 DBADRM O=C(CC1CCC1)NC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001298331516 805788144 /nfs/dbraw/zinc/78/81/44/805788144.db2.gz CLHQRRQWEUFICY-UPHRSURJSA-N -1 0 323.353 -0.332 20 0 DBADRM O=C(c1ccc2c(n1)OCCO2)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000847471954 805801678 /nfs/dbraw/zinc/80/16/78/805801678.db2.gz IBENVWWNIBVQRQ-SNVBAGLBSA-N -1 0 318.293 -0.420 20 0 DBADRM O=C(c1cccc2[nH]c(=O)[nH]c21)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000847473381 805802044 /nfs/dbraw/zinc/80/20/44/805802044.db2.gz SXOYWIURFAZJBC-SECBINFHSA-N -1 0 315.293 -0.005 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cc(OC)cnc1F ZINC000847672270 805811904 /nfs/dbraw/zinc/81/19/04/805811904.db2.gz ORXSCPRTFMTEAO-UHFFFAOYSA-N -1 0 320.298 -0.148 20 0 DBADRM O=C([N-]S(=O)(=O)CCCF)c1ccc(-n2cnnn2)cn1 ZINC000847656053 805810759 /nfs/dbraw/zinc/81/07/59/805810759.db2.gz YYTGDMGFZGCEAS-UHFFFAOYSA-N -1 0 314.302 -0.524 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccc2c(n1)OCCO2 ZINC000847648099 805811009 /nfs/dbraw/zinc/81/10/09/805811009.db2.gz UMTALSCMZOVJIP-QMMMGPOBSA-N -1 0 314.319 -0.299 20 0 DBADRM O=C([N-]S(=O)(=O)C1CCC1)c1ccc(-n2cnnn2)cn1 ZINC000847697054 805812968 /nfs/dbraw/zinc/81/29/68/805812968.db2.gz QLQBPNLWOVHBRK-UHFFFAOYSA-N -1 0 308.323 -0.331 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2cnc(N(C)C)cn2)cnn1C ZINC000847717441 805813716 /nfs/dbraw/zinc/81/37/16/805813716.db2.gz JQTPYATVSKWXJU-UHFFFAOYSA-N -1 0 324.366 -0.297 20 0 DBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C)cn1 ZINC000847844198 805816197 /nfs/dbraw/zinc/81/61/97/805816197.db2.gz SVEPMNGAQURQJQ-UHFFFAOYSA-N -1 0 316.383 -0.472 20 0 DBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cn1 ZINC000847849007 805816595 /nfs/dbraw/zinc/81/65/95/805816595.db2.gz ZKSGJWYSDMMOBG-JMJZKYOTSA-N -1 0 311.363 -0.019 20 0 DBADRM COc1cnc(F)c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000847886812 805816971 /nfs/dbraw/zinc/81/69/71/805816971.db2.gz OTVFEALADLHREH-UHFFFAOYSA-N -1 0 319.314 -0.575 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@@H]2CCCNC2=O)c1[O-] ZINC001298571281 805817088 /nfs/dbraw/zinc/81/70/88/805817088.db2.gz WNQDZZCQDULNDK-VXNVDRBHSA-N -1 0 323.353 -0.816 20 0 DBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCCO2)on1 ZINC000847995542 805818874 /nfs/dbraw/zinc/81/88/74/805818874.db2.gz GCEAUEYMWGQQCP-SSDOTTSWSA-N -1 0 317.323 -0.462 20 0 DBADRM CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847997409 805818909 /nfs/dbraw/zinc/81/89/09/805818909.db2.gz RQMZSBVWTSMUNC-ZCFIWIBFSA-N -1 0 305.312 -0.607 20 0 DBADRM CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995538 805818927 /nfs/dbraw/zinc/81/89/27/805818927.db2.gz HEYJMOGUAABTDP-VDTYLAMSSA-N -1 0 303.296 -0.997 20 0 DBADRM C[C@]1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CCCOC1 ZINC000847996350 805818951 /nfs/dbraw/zinc/81/89/51/805818951.db2.gz KKRCENWAZFMBIG-NSHDSACASA-N -1 0 317.323 -0.605 20 0 DBADRM C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995227 805819214 /nfs/dbraw/zinc/81/92/14/805819214.db2.gz CADWCWHJIOMFQP-LURJTMIESA-N -1 0 317.323 -0.607 20 0 DBADRM CO[C@](C)(C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)C1CC1 ZINC000847998269 805819996 /nfs/dbraw/zinc/81/99/96/805819996.db2.gz RPJNPHXOHDHODP-NSHDSACASA-N -1 0 317.323 -0.607 20 0 DBADRM CCC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998409 805820005 /nfs/dbraw/zinc/82/00/05/805820005.db2.gz VIOOOSRTBPGXIL-SSDOTTSWSA-N -1 0 305.312 -0.607 20 0 DBADRM COCC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847997927 805820287 /nfs/dbraw/zinc/82/02/87/805820287.db2.gz FYBSNUXZLVUXEQ-UHFFFAOYSA-N -1 0 319.339 -0.359 20 0 DBADRM CN1C(=O)C[C@@H](NC(=O)CSc2n[n-]c(=S)s2)C1=O ZINC000848047026 805821638 /nfs/dbraw/zinc/82/16/38/805821638.db2.gz BTXHQPCIOFJFNE-SCSAIBSYSA-N -1 0 318.405 -0.208 20 0 DBADRM CCO/C=C\[C@@](O)(CNC(=O)c1cc(=O)[nH][n-]1)C(F)(F)F ZINC000848182765 805830456 /nfs/dbraw/zinc/83/04/56/805830456.db2.gz SURPITYQTQDIEC-UMBAGQNISA-N -1 0 309.244 -0.178 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C ZINC000848242341 805831710 /nfs/dbraw/zinc/83/17/10/805831710.db2.gz CXYAGFBRJDVLNK-MRVPVSSYSA-N -1 0 309.330 -0.858 20 0 DBADRM C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000848341152 805834641 /nfs/dbraw/zinc/83/46/41/805834641.db2.gz YBHJKEPPPQXRAG-RNFRBKRXSA-N -1 0 320.271 -0.080 20 0 DBADRM CC(C)[C@@H](CNC(=O)NC[C@H]1CC(C(N)=O)=NO1)C(=O)[O-] ZINC000848582467 805841134 /nfs/dbraw/zinc/84/11/34/805841134.db2.gz MGHVJNQRJXCWRC-HTQZYQBOSA-N -1 0 300.315 -0.727 20 0 DBADRM C[C@H](CNC(=O)NC[C@H]1COC2(CCOCC2)O1)C(=O)[O-] ZINC000848581662 805841295 /nfs/dbraw/zinc/84/12/95/805841295.db2.gz WRRCVESRANYHGW-ZJUUUORDSA-N -1 0 302.327 -0.072 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])[C@@H]1C ZINC000848608511 805841757 /nfs/dbraw/zinc/84/17/57/805841757.db2.gz ADMMAUQKZWWLCY-DJLDLDEBSA-N -1 0 300.311 -0.767 20 0 DBADRM CC(C)[C@@H](CNN(C)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000848600890 805842460 /nfs/dbraw/zinc/84/24/60/805842460.db2.gz LLVHLTIQUARSQP-LLVKDONJSA-N -1 0 307.416 -0.185 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000848608037 805842523 /nfs/dbraw/zinc/84/25/23/805842523.db2.gz OQHNFGZEYXQUHW-JTQLQIEISA-N -1 0 315.370 -0.556 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCC[S@@](=O)C(C)(C)C)C(=O)[O-] ZINC000848608048 805842621 /nfs/dbraw/zinc/84/26/21/805842621.db2.gz OVOPQUXJLHJUDJ-FFVOIRBGSA-N -1 0 306.384 -0.513 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N(C)Cc1nnc2ccccn21)C(=O)[O-] ZINC000848608460 805842659 /nfs/dbraw/zinc/84/26/59/805842659.db2.gz GEOXYLPWQSWVTE-VIFPVBQESA-N -1 0 319.321 -0.475 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1(C)OCCO1 ZINC000848612004 805842783 /nfs/dbraw/zinc/84/27/83/805842783.db2.gz UZEFRSVMMODJBE-NXEZZACHSA-N -1 0 316.354 -0.271 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H](c2nccn2C)C1)C(=O)[O-] ZINC000848610617 805842852 /nfs/dbraw/zinc/84/28/52/805842852.db2.gz VFZWKIHJUXJYSB-MNOVXSKESA-N -1 0 322.365 -0.037 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@H](c2nccn2C)C1)C(=O)[O-] ZINC000848610618 805843106 /nfs/dbraw/zinc/84/31/06/805843106.db2.gz VFZWKIHJUXJYSB-QWRGUYRKSA-N -1 0 322.365 -0.037 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCC1(C)OCCO1)C(=O)[O-] ZINC000848609047 805843498 /nfs/dbraw/zinc/84/34/98/805843498.db2.gz CPHOPFJXEHMVNP-SNVBAGLBSA-N -1 0 316.354 -0.271 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)[C@H]2CCCS2(=O)=O)CCCOC1 ZINC000848876910 805851576 /nfs/dbraw/zinc/85/15/76/805851576.db2.gz OZALOBSIXBOUPZ-SKDRFNHKSA-N -1 0 305.352 -0.296 20 0 DBADRM CCOC(=O)[C@@H](O)Cn1cc(C[N-]C(=O)C(F)(F)F)nn1 ZINC000849137546 805857695 /nfs/dbraw/zinc/85/76/95/805857695.db2.gz UDNVDGMAWZPSTK-ZETCQYMHSA-N -1 0 310.232 -0.619 20 0 DBADRM O=C(C[C@@]1(C(=O)[O-])CCOC1)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000849181606 805858365 /nfs/dbraw/zinc/85/83/65/805858365.db2.gz REHKJGBBSDNDSK-YGRLFVJLSA-N -1 0 312.322 -0.033 20 0 DBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])c1 ZINC000849218426 805859702 /nfs/dbraw/zinc/85/97/02/805859702.db2.gz BPWOFZSNICUGCZ-SECBINFHSA-N -1 0 304.299 -0.205 20 0 DBADRM O=C([O-])[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2c[nH]nc2Cl)C1 ZINC000849218652 805860255 /nfs/dbraw/zinc/86/02/55/805860255.db2.gz DWBOWDCHQXGJGP-XPUUQOCRSA-N -1 0 323.758 -0.091 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000849222301 805860417 /nfs/dbraw/zinc/86/04/17/805860417.db2.gz UAGFZIGBYYGIIN-LLVKDONJSA-N -1 0 301.320 -0.048 20 0 DBADRM CCN1CC[C@H](OC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1=O ZINC000849726244 805878472 /nfs/dbraw/zinc/87/84/72/805878472.db2.gz ITMWFYMSOSVSFQ-VIFPVBQESA-N -1 0 305.294 -0.765 20 0 DBADRM CS(=O)(=O)CCCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001299673889 805896643 /nfs/dbraw/zinc/89/66/43/805896643.db2.gz DEDXMDSZCIKOLH-UHFFFAOYSA-N -1 0 320.371 -0.590 20 0 DBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)N2CCCCC2)n1 ZINC000850789246 805901887 /nfs/dbraw/zinc/90/18/87/805901887.db2.gz OULWVKVTBAQANL-UHFFFAOYSA-N -1 0 316.387 -0.111 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C1CCN(C(=O)OC)CC1 ZINC000850832851 805903761 /nfs/dbraw/zinc/90/37/61/805903761.db2.gz DUMVMPGNZPYLRE-UHFFFAOYSA-N -1 0 322.339 -0.916 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H](OC)[C@H]1CCOC1 ZINC000850840871 805904629 /nfs/dbraw/zinc/90/46/29/805904629.db2.gz DWABJVRUEUNNOM-ONGXEEELSA-N -1 0 323.367 -0.563 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000850862942 805905380 /nfs/dbraw/zinc/90/53/80/805905380.db2.gz ZOUSHYCASRDYMG-GMTAPVOTSA-N -1 0 317.411 -0.006 20 0 DBADRM CC1(C)OC[C@@H]2C[C@@]21C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000850862539 805905851 /nfs/dbraw/zinc/90/58/51/805905851.db2.gz QOHBEFWVIFHWLC-CABZTGNLSA-N -1 0 304.368 -0.505 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccnn1C(F)F ZINC000850862692 805905977 /nfs/dbraw/zinc/90/59/77/805905977.db2.gz SZZNLISVFZQPJI-UHFFFAOYSA-N -1 0 310.282 -0.415 20 0 DBADRM CCCn1nccc1C(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000850889691 805906463 /nfs/dbraw/zinc/90/64/63/805906463.db2.gz XLMWQSQMFBXIHY-UHFFFAOYSA-N -1 0 304.372 -0.154 20 0 DBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000850970818 805909652 /nfs/dbraw/zinc/90/96/52/805909652.db2.gz BHEIISAYOHVUPF-QMMMGPOBSA-N -1 0 303.340 -0.704 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccn2nnnc2c1 ZINC000850914480 805907332 /nfs/dbraw/zinc/90/73/32/805907332.db2.gz NWOPZTSCBZKLLJ-MRVPVSSYSA-N -1 0 311.323 -0.780 20 0 DBADRM Cc1nc2c(c(=O)[nH]1)CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC001301716671 805907611 /nfs/dbraw/zinc/90/76/11/805907611.db2.gz UGDJBEAFUCHMJL-MRVPVSSYSA-N -1 0 305.294 -0.679 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1ccn2nnnc2c1 ZINC000850933582 805907854 /nfs/dbraw/zinc/90/78/54/805907854.db2.gz CESFJRHPKKEIQD-VIFPVBQESA-N -1 0 311.323 -0.637 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC000850940276 805907957 /nfs/dbraw/zinc/90/79/57/805907957.db2.gz KUHDXLMSNDLZPI-QWRGUYRKSA-N -1 0 312.347 -0.652 20 0 DBADRM CCOC(=O)NCCCC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001302136203 805908051 /nfs/dbraw/zinc/90/80/51/805908051.db2.gz BZPKNRWAOZBOJW-VIFPVBQESA-N -1 0 312.330 -0.374 20 0 DBADRM COc1cccc([C@H](OC)C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000850940761 805908233 /nfs/dbraw/zinc/90/82/33/805908233.db2.gz ROOYDYHTGJLONR-NSHDSACASA-N -1 0 316.335 -0.686 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC000850940274 805908317 /nfs/dbraw/zinc/90/83/17/805908317.db2.gz KUHDXLMSNDLZPI-MNOVXSKESA-N -1 0 312.347 -0.652 20 0 DBADRM CCc1c[nH]c(=O)c(C(=O)[N-]S(=O)(=O)c2cnnn2C)c1 ZINC000850972568 805909392 /nfs/dbraw/zinc/90/93/92/805909392.db2.gz YKNLEGZGVLHLQW-UHFFFAOYSA-N -1 0 311.323 -0.403 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C2CC3(CC3)C2)CC1 ZINC000851040285 805911417 /nfs/dbraw/zinc/91/14/17/805911417.db2.gz BXUZZWXABWMVGM-UHFFFAOYSA-N -1 0 315.395 -0.298 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000851036287 805911724 /nfs/dbraw/zinc/91/17/24/805911724.db2.gz GNAZEGPJRSMIGN-NXEZZACHSA-N -1 0 307.368 -0.337 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000851040911 805912214 /nfs/dbraw/zinc/91/22/14/805912214.db2.gz JCIHXIRLKZAGCP-GDNZZTSVSA-N -1 0 315.395 -0.442 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC000851023109 805912247 /nfs/dbraw/zinc/91/22/47/805912247.db2.gz WJLSOAHKNZQSDZ-UHFFFAOYSA-N -1 0 315.355 -0.823 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N3CC[C@@H](c4nnn[n-]4)C3)nc2n1 ZINC001302935537 805912268 /nfs/dbraw/zinc/91/22/68/805912268.db2.gz BFOPPMPQANHHOC-SECBINFHSA-N -1 0 313.325 -0.116 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)Cn2cc(C3CC3)cn2)c1 ZINC000851081599 805912669 /nfs/dbraw/zinc/91/26/69/805912669.db2.gz RYVGNRWDPYADBM-UHFFFAOYSA-N -1 0 309.351 -0.001 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)C1CCC1 ZINC000851118479 805913064 /nfs/dbraw/zinc/91/30/64/805913064.db2.gz GNMXYOAQZZQTHT-SECBINFHSA-N -1 0 317.323 -0.607 20 0 DBADRM COCCCOCCC(=O)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000851081371 805913572 /nfs/dbraw/zinc/91/35/72/805913572.db2.gz OQSBLBGIGYQGRM-UHFFFAOYSA-N -1 0 305.356 -0.332 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)[N-]S(=O)(=O)CC(F)F)n1 ZINC000851364240 805915644 /nfs/dbraw/zinc/91/56/44/805915644.db2.gz UJMXYITXKLXZSV-UHFFFAOYSA-N -1 0 311.314 -0.318 20 0 DBADRM O=C([N-]S(=O)(=O)CC(F)F)[C@@H]1CCCCS1(=O)=O ZINC000851361626 805915820 /nfs/dbraw/zinc/91/58/20/805915820.db2.gz QEZJUMDOZFAKAR-LURJTMIESA-N -1 0 305.324 -0.335 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)[N-]S(=O)(=O)CC(F)F ZINC000851359761 805915894 /nfs/dbraw/zinc/91/58/94/805915894.db2.gz ZOLWPZMREUJEGU-UHFFFAOYSA-N -1 0 314.310 -0.664 20 0 DBADRM CCc1cc(C(=O)[N-]S(=O)(=O)C(COC)COC)[nH]n1 ZINC000851499294 805917712 /nfs/dbraw/zinc/91/77/12/805917712.db2.gz PZXYPWRDOUGZHH-UHFFFAOYSA-N -1 0 305.356 -0.307 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)/C=C\[C@H]1CCOC1 ZINC000851502188 805918758 /nfs/dbraw/zinc/91/87/58/805918758.db2.gz CXXXCKNECPWYDH-XOULXFPDSA-N -1 0 307.368 -0.314 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cc(OC)n(C)n1 ZINC000851501639 805918789 /nfs/dbraw/zinc/91/87/89/805918789.db2.gz DFWZOMKVWFMCAJ-UHFFFAOYSA-N -1 0 321.355 -0.850 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CCCOCC1 ZINC000851501952 805918967 /nfs/dbraw/zinc/91/89/67/805918967.db2.gz JQURNCQRABMJRX-JTQLQIEISA-N -1 0 309.384 -0.090 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCc1cncnc1 ZINC000851503561 805919790 /nfs/dbraw/zinc/91/97/90/805919790.db2.gz DVLZAPFAGUTXFF-UHFFFAOYSA-N -1 0 317.367 -0.483 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000851504402 805919819 /nfs/dbraw/zinc/91/98/19/805919819.db2.gz WRIQFBQWGAHLLU-NOZJJQNGSA-N -1 0 321.395 -0.091 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)c2ccn3nnnc3c2)CCCOC1 ZINC000851605526 805920542 /nfs/dbraw/zinc/92/05/42/805920542.db2.gz KQOFFQHEUBDBDJ-CYBMUJFWSA-N -1 0 305.294 -0.122 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1nc2ncc(C)cn2n1 ZINC000851597740 805920757 /nfs/dbraw/zinc/92/07/57/805920757.db2.gz YESIDRGWGHKJBR-UHFFFAOYSA-N -1 0 307.310 -0.004 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cc1c(C)nc2c(c(=O)[nH]n2C)c1C ZINC001304259273 805921478 /nfs/dbraw/zinc/92/14/78/805921478.db2.gz ZBTKXKSJPGEGRH-UHFFFAOYSA-N -1 0 321.337 -0.373 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)O1 ZINC000851651042 805921702 /nfs/dbraw/zinc/92/17/02/805921702.db2.gz NPTWABQQCUBYPZ-GPCCPHFNSA-N -1 0 314.338 -0.120 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)O1 ZINC000851651049 805921871 /nfs/dbraw/zinc/92/18/71/805921871.db2.gz NPTWABQQCUBYPZ-ISTVAULSSA-N -1 0 314.338 -0.120 20 0 DBADRM O=C([O-])CCNC(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000851653145 805923147 /nfs/dbraw/zinc/92/31/47/805923147.db2.gz ZPRADOVPUHYTSS-UHFFFAOYSA-N -1 0 306.262 -0.263 20 0 DBADRM COC(=O)N(C)CCNC(=O)C(=O)NCCCCC(=O)[O-] ZINC000851684140 805925287 /nfs/dbraw/zinc/92/52/87/805925287.db2.gz XTQAWTBJLAPOJY-UHFFFAOYSA-N -1 0 303.315 -0.828 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCO[C@@H]2CC2(F)F)C1 ZINC000851683385 805925382 /nfs/dbraw/zinc/92/53/82/805925382.db2.gz DPCIEHXKAUTBGH-PRHODGIISA-N -1 0 320.292 -0.150 20 0 DBADRM COCCN(CCF)C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000851683606 805925641 /nfs/dbraw/zinc/92/56/41/805925641.db2.gz KLNRSPQWSAUSIE-JTQLQIEISA-N -1 0 306.334 -0.096 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCC[C@]23CCOC3=O)CCC1 ZINC000851687713 805926699 /nfs/dbraw/zinc/92/66/99/805926699.db2.gz XVOSDCUFFJSZBR-OAHLLOKOSA-N -1 0 324.333 -0.334 20 0 DBADRM CCOC(=O)NCCC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000851697253 805929987 /nfs/dbraw/zinc/92/99/87/805929987.db2.gz IFFGATXLCGCXOM-NOZJJQNGSA-N -1 0 300.311 -0.318 20 0 DBADRM Cc1nc(C)c(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(=O)[nH]1 ZINC000851697361 805931368 /nfs/dbraw/zinc/93/13/68/805931368.db2.gz LUWQDTHVHQXNEF-MEBBXXQBSA-N -1 0 321.333 -0.099 20 0 DBADRM CON(C)C(=O)[C@H](CCSC)NS(=O)(=O)c1ncc[n-]1 ZINC001309336170 805935778 /nfs/dbraw/zinc/93/57/78/805935778.db2.gz MZVRBZHRYLJIGW-QMMMGPOBSA-N -1 0 322.412 -0.171 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC000851780938 805936388 /nfs/dbraw/zinc/93/63/88/805936388.db2.gz XDOCQAJCQHAYFB-UHFFFAOYSA-N -1 0 317.298 -0.078 20 0 DBADRM CNS(=O)(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000851883622 805941165 /nfs/dbraw/zinc/94/11/65/805941165.db2.gz WPYMACKREWHDKH-RQJHMYQMSA-N -1 0 303.306 -0.161 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cnn2c1OCC(C)(C)C2 ZINC001309915645 805942560 /nfs/dbraw/zinc/94/25/60/805942560.db2.gz HEFYCZJTGKTOGI-UHFFFAOYSA-N -1 0 318.355 -0.742 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1nc(CC(=O)OC)cs1 ZINC001310053889 805943097 /nfs/dbraw/zinc/94/30/97/805943097.db2.gz PYFDHUBQIPUION-UHFFFAOYSA-N -1 0 302.312 -0.342 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC(=O)NC(=O)C12CCCCC2 ZINC001310736241 805944508 /nfs/dbraw/zinc/94/45/08/805944508.db2.gz CTMMKFACTJNJRG-UHFFFAOYSA-N -1 0 321.341 -0.692 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC000852399629 805962835 /nfs/dbraw/zinc/96/28/35/805962835.db2.gz ORFBPQUYFUTUNR-SDDRHHMPSA-N -1 0 317.386 -0.081 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC[S@](=O)CC(F)(F)F ZINC000852399400 805963335 /nfs/dbraw/zinc/96/33/35/805963335.db2.gz HGWRULQRLNRUJN-FQEVSTJZSA-N -1 0 319.305 -0.336 20 0 DBADRM O=C([O-])[C@@H]1COCCN1CC1=NS(=O)(=O)c2ccccc21 ZINC000852728144 805972691 /nfs/dbraw/zinc/97/26/91/805972691.db2.gz XGGOSVSNANHOQO-NSHDSACASA-N -1 0 310.331 -0.037 20 0 DBADRM CCOC(=O)CC1(NC(=O)COCC(=O)[O-])CCOCC1 ZINC000852959431 805995027 /nfs/dbraw/zinc/99/50/27/805995027.db2.gz KYMZGYZYPYWIMC-UHFFFAOYSA-N -1 0 303.311 -0.294 20 0 DBADRM CN1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CCC1=O ZINC000852915539 805990832 /nfs/dbraw/zinc/99/08/32/805990832.db2.gz HWVKIXQPVHNUIN-AWEZNQCLSA-N -1 0 311.338 -1.000 20 0 DBADRM COCCN(CCF)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000852915402 805991122 /nfs/dbraw/zinc/99/11/22/805991122.db2.gz FCIFDWUEJRAQKM-CYBMUJFWSA-N -1 0 304.318 -0.246 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)[C@H](C(=O)[O-])C2CC2)n1 ZINC000852947290 805993889 /nfs/dbraw/zinc/99/38/89/805993889.db2.gz IMOKNUCEIUDQCM-SNVBAGLBSA-N -1 0 315.351 -0.023 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C1 ZINC000852942190 805993972 /nfs/dbraw/zinc/99/39/72/805993972.db2.gz FLJKNXWZWPBGLU-SKDRFNHKSA-N -1 0 319.383 -0.775 20 0 DBADRM O=C([O-])[C@H](C(=O)NCCCN1CCCS1(=O)=O)C1CC1 ZINC000852946444 805994284 /nfs/dbraw/zinc/99/42/84/805994284.db2.gz SYGQALGCWLPTSC-JTQLQIEISA-N -1 0 304.368 -0.361 20 0 DBADRM COCCS(=O)(=O)CC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000852959380 805994724 /nfs/dbraw/zinc/99/47/24/805994724.db2.gz JOCZNEVEVZVEST-JTQLQIEISA-N -1 0 307.368 -0.335 20 0 DBADRM CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)C[C@H](COC)OC ZINC000853204157 806001100 /nfs/dbraw/zinc/00/11/00/806001100.db2.gz MIUMQXWLKROFBE-JTQLQIEISA-N -1 0 319.383 -0.068 20 0 DBADRM C[C@]1(c2ccco2)NC(=O)N([C@@H]2CCN(CC(=O)[O-])C2=O)C1=O ZINC000853003343 805995496 /nfs/dbraw/zinc/99/54/96/805995496.db2.gz IZZCNVCEJBEGIK-XLKFXECMSA-N -1 0 321.289 -0.268 20 0 DBADRM C[C@@]1(c2ccco2)NC(=O)N([C@H]2CCN(CC(=O)[O-])C2=O)C1=O ZINC000853003342 805995659 /nfs/dbraw/zinc/99/56/59/805995659.db2.gz IZZCNVCEJBEGIK-RTHLEPHNSA-N -1 0 321.289 -0.268 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000853069276 805996176 /nfs/dbraw/zinc/99/61/76/805996176.db2.gz NGHUZMBYMHAYNX-LLVKDONJSA-N -1 0 322.383 -0.411 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001316825341 805996243 /nfs/dbraw/zinc/99/62/43/805996243.db2.gz HOQYPVDMBCXREJ-SECBINFHSA-N -1 0 312.374 -0.637 20 0 DBADRM NC(=O)c1ccc(/C=C\C(=O)[N-]S(=O)(=O)N2CCCC2)o1 ZINC000853101142 805997299 /nfs/dbraw/zinc/99/72/99/805997299.db2.gz UYGZDQJTMXUNJQ-XQRVVYSFSA-N -1 0 313.335 -0.152 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)Cc1cscn1 ZINC000853112172 805997422 /nfs/dbraw/zinc/99/74/22/805997422.db2.gz RONGYVNXJPVZCU-UHFFFAOYSA-N -1 0 308.381 -0.205 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)/C=C/c1ccc(C(N)=O)o1 ZINC000853106497 805997877 /nfs/dbraw/zinc/99/78/77/805997877.db2.gz ANCXHZSRDDBBON-JQTRYQTASA-N -1 0 316.335 -0.127 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cc(C)n(C)n1)OC ZINC000853204753 806001276 /nfs/dbraw/zinc/00/12/76/806001276.db2.gz TYKAZIYSSVHVLR-VIFPVBQESA-N -1 0 305.356 -0.550 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)Cc1cccnc1)OC ZINC000853202313 806000792 /nfs/dbraw/zinc/00/07/92/806000792.db2.gz DBBRYHFKIKAFSU-LLVKDONJSA-N -1 0 302.352 -0.269 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@]1(C)CCCOC1)OC ZINC000853205753 806001772 /nfs/dbraw/zinc/00/17/72/806001772.db2.gz JTFJMKJCRDHFRE-PWSUYJOCSA-N -1 0 309.384 -0.090 20 0 DBADRM COCCC1(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)CC1 ZINC000853206009 806001809 /nfs/dbraw/zinc/00/18/09/806001809.db2.gz KASNBNPJANLUQO-JTQLQIEISA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1C[C@]12CCOC2)OC ZINC000853207174 806001860 /nfs/dbraw/zinc/00/18/60/806001860.db2.gz ZRGKPMCSWHCPDK-FOGDFJRCSA-N -1 0 307.368 -0.480 20 0 DBADRM CCc1nc(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)co1 ZINC000853206672 806002133 /nfs/dbraw/zinc/00/21/33/806002133.db2.gz SJBDQOLYWAOVBF-MRVPVSSYSA-N -1 0 306.340 -0.042 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CCCOCC1)OC ZINC000853207834 806002154 /nfs/dbraw/zinc/00/21/54/806002154.db2.gz KTUVBTCKQBOGMN-WDEREUQCSA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)OC)OC ZINC000853206637 806002329 /nfs/dbraw/zinc/00/23/29/806002329.db2.gz QTHAPQVIFKQIES-RKDXNWHRSA-N -1 0 311.356 -0.707 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CCO[C@@H](C)C1)OC ZINC000853206951 806002573 /nfs/dbraw/zinc/00/25/73/806002573.db2.gz XIOSLWNOUDJMCJ-GARJFASQSA-N -1 0 309.384 -0.091 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@]1(C)CCC(=O)NC1)OC ZINC000853208207 806002716 /nfs/dbraw/zinc/00/27/16/806002716.db2.gz RPTJYFZXHAJDHF-BXKDBHETSA-N -1 0 322.383 -0.990 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CN1CCCCC1=O)OC ZINC000853208531 806002754 /nfs/dbraw/zinc/00/27/54/806002754.db2.gz BXGIDZNOXUMHQX-SNVBAGLBSA-N -1 0 322.383 -0.894 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1O[C@H](C)C[C@H]1C)OC ZINC000853208623 806002798 /nfs/dbraw/zinc/00/27/98/806002798.db2.gz VWEAESOYACPZSB-GWOFURMSSA-N -1 0 309.384 -0.093 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C[C@H](C)n1cccn1)OC ZINC000853209677 806002951 /nfs/dbraw/zinc/00/29/51/806002951.db2.gz QAAIQUZRNVKTTG-QWRGUYRKSA-N -1 0 319.383 -0.058 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cc2n(n1)CCC2)OC ZINC000853209050 806003413 /nfs/dbraw/zinc/00/34/13/806003413.db2.gz GIFFSCJZRYZENI-SNVBAGLBSA-N -1 0 317.367 -0.450 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CCCn1cccn1)OC ZINC000853203220 806001437 /nfs/dbraw/zinc/00/14/37/806001437.db2.gz FFCDCMGKQHVMMC-LLVKDONJSA-N -1 0 319.383 -0.229 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)C[C@H](COC)OC ZINC000853203084 806001447 /nfs/dbraw/zinc/00/14/47/806001447.db2.gz VPMJUXFKMRCICF-BDAKNGLRSA-N -1 0 310.372 -0.992 20 0 DBADRM Cc1conc1CN(C)CCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001316864870 806015079 /nfs/dbraw/zinc/01/50/79/806015079.db2.gz MRZOMUUFTDPDSO-UHFFFAOYSA-N -1 0 324.341 -0.376 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000854233586 806030558 /nfs/dbraw/zinc/03/05/58/806030558.db2.gz FRFCXGZUPDVIHE-BDAKNGLRSA-N -1 0 312.326 -0.583 20 0 DBADRM COCCCONC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000854449933 806036283 /nfs/dbraw/zinc/03/62/83/806036283.db2.gz WGGSZOBKKLBZAL-UHFFFAOYSA-N -1 0 304.324 -0.263 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C(=O)O1 ZINC000854471255 806038797 /nfs/dbraw/zinc/03/87/97/806038797.db2.gz UYFZHLLWZJVETB-RCOVLWMOSA-N -1 0 314.319 -0.527 20 0 DBADRM Cc1nn(C)c2nc(C)c(C(=O)Nn3c(=O)[n-][nH]c3=O)cc12 ZINC000854610874 806045838 /nfs/dbraw/zinc/04/58/38/806045838.db2.gz OSGBSGSOUHRDDB-UHFFFAOYSA-N -1 0 303.282 -0.028 20 0 DBADRM CC[C@H](C)CO[N-]C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000854603414 806045864 /nfs/dbraw/zinc/04/58/64/806045864.db2.gz XGXFLUXABMJFQI-QMMMGPOBSA-N -1 0 317.367 -0.051 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)[N-]OC(C)(C)CO ZINC000854755154 806055593 /nfs/dbraw/zinc/05/55/93/806055593.db2.gz VIBAREWXSSXXIU-SNVBAGLBSA-N -1 0 308.400 -0.089 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000855131813 806070396 /nfs/dbraw/zinc/07/03/96/806070396.db2.gz BRLNCRMVLMDYQY-UHFFFAOYSA-N -1 0 315.326 -0.294 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)Cn1cc([C@@H](C)O)nn1 ZINC000855132288 806070894 /nfs/dbraw/zinc/07/08/94/806070894.db2.gz CXHHTVXVJZIFPV-MRVPVSSYSA-N -1 0 300.315 -0.279 20 0 DBADRM COC(=O)N(C)CCN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000855888799 806089578 /nfs/dbraw/zinc/08/95/78/806089578.db2.gz CSFSYYDFHGCLLL-UHFFFAOYSA-N -1 0 322.325 -0.772 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]OCCN1CCCC1=O ZINC000856038130 806093944 /nfs/dbraw/zinc/09/39/44/806093944.db2.gz ZAUFDYCIZFZONB-JTQLQIEISA-N -1 0 319.383 -0.919 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)[N-]OCCN1CCCC1=O ZINC000856041592 806094269 /nfs/dbraw/zinc/09/42/69/806094269.db2.gz SCAWNKYCCDFDGG-UHFFFAOYSA-N -1 0 309.322 -0.467 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)[N-]OCCN1CCCC1=O ZINC000856042767 806094379 /nfs/dbraw/zinc/09/43/79/806094379.db2.gz GCOCLQRMTISEDE-OAHLLOKOSA-N -1 0 323.349 -0.731 20 0 DBADRM O=C([N-]OCCN1CCCC1=O)[C@H]1COCCN1CC(F)F ZINC000856043047 806094462 /nfs/dbraw/zinc/09/44/62/806094462.db2.gz QNGYVSDYKOEYEN-SNVBAGLBSA-N -1 0 321.324 -0.378 20 0 DBADRM CCn1ncc(Cl)c1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000857020735 806107542 /nfs/dbraw/zinc/10/75/42/806107542.db2.gz JKXLMFOMWNPXSH-UHFFFAOYSA-N -1 0 318.746 -0.196 20 0 DBADRM C[C@@H]1[C@H](CO)CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000857290161 806115041 /nfs/dbraw/zinc/11/50/41/806115041.db2.gz WILNKONWTKOYEE-ZJUUUORDSA-N -1 0 305.338 -0.309 20 0 DBADRM C[C@H]1[C@H](CO)CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000857290159 806115771 /nfs/dbraw/zinc/11/57/71/806115771.db2.gz WILNKONWTKOYEE-UWVGGRQHSA-N -1 0 305.338 -0.309 20 0 DBADRM CCOC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000858915506 806162204 /nfs/dbraw/zinc/16/22/04/806162204.db2.gz VPAUOYFESSZYTP-ZCFIWIBFSA-N -1 0 306.296 -0.309 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2COCCO2)on1 ZINC000858913716 806162299 /nfs/dbraw/zinc/16/22/99/806162299.db2.gz LOFWDXXBHVTJHK-ZETCQYMHSA-N -1 0 306.296 -0.845 20 0 DBADRM CCN(OC)C(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000859203393 806179333 /nfs/dbraw/zinc/17/93/33/806179333.db2.gz TYFCVAKBXASYFV-UHFFFAOYSA-N -1 0 321.311 -0.851 20 0 DBADRM Cn1nnnc1COC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859923009 806210437 /nfs/dbraw/zinc/21/04/37/806210437.db2.gz SIJDIJIMSCWAND-UHFFFAOYSA-N -1 0 312.311 -0.666 20 0 DBADRM CCC[C@@H](NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)c1nnn[n-]1 ZINC000859945336 806211854 /nfs/dbraw/zinc/21/18/54/806211854.db2.gz OZYDYGSYEWUBDJ-ZDLIJIFBSA-N -1 0 321.337 -0.122 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn2c(n1)COCC2 ZINC000860547822 806235501 /nfs/dbraw/zinc/23/55/01/806235501.db2.gz WFDWHEPFKOLEEU-MRVPVSSYSA-N -1 0 303.340 -0.492 20 0 DBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)cc1 ZINC000860444404 806231690 /nfs/dbraw/zinc/23/16/90/806231690.db2.gz ICXHXCMQKMACPU-JTQLQIEISA-N -1 0 314.319 -0.001 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)cc1 ZINC000860450084 806232076 /nfs/dbraw/zinc/23/20/76/806232076.db2.gz LWLLPWAYQGBRNY-VIFPVBQESA-N -1 0 300.292 -0.392 20 0 DBADRM COCCCn1cc(C(=O)[N-]S(=O)(=O)CCOC)cn1 ZINC000860538293 806235621 /nfs/dbraw/zinc/23/56/21/806235621.db2.gz CPJKQJJLYIWBGQ-UHFFFAOYSA-N -1 0 305.356 -0.374 20 0 DBADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC000860541056 806235649 /nfs/dbraw/zinc/23/56/49/806235649.db2.gz CAAAVYLKRXAKLU-SECBINFHSA-N -1 0 319.383 -0.237 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(C(N)=O)nc1 ZINC000860548115 806235195 /nfs/dbraw/zinc/23/51/95/806235195.db2.gz XRPHHLPVGMISFB-MRVPVSSYSA-N -1 0 315.351 -0.796 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cn2c(n1)COCC2 ZINC000860537868 806235678 /nfs/dbraw/zinc/23/56/78/806235678.db2.gz WWMXHFIZADUODI-UHFFFAOYSA-N -1 0 303.340 -0.491 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccn(C2CCOCC2)n1 ZINC000860539377 806235344 /nfs/dbraw/zinc/23/53/44/806235344.db2.gz YKVGCNLNRYRFQP-UHFFFAOYSA-N -1 0 317.367 -0.059 20 0 DBADRM CCC(CC)S(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC000860545315 806235365 /nfs/dbraw/zinc/23/53/65/806235365.db2.gz OIMHTBUSEQPBKQ-UHFFFAOYSA-N -1 0 305.356 -0.485 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OCCCNC(N)=O)cn1 ZINC000860550203 806236932 /nfs/dbraw/zinc/23/69/32/806236932.db2.gz LQBDVDXSGPRQOU-UHFFFAOYSA-N -1 0 316.339 -0.332 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000860598338 806237430 /nfs/dbraw/zinc/23/74/30/806237430.db2.gz MNSTVCGMGYDBPF-RCWTZXSCSA-N -1 0 308.400 -0.015 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)Cn1nccc1C ZINC000860612597 806239037 /nfs/dbraw/zinc/23/90/37/806239037.db2.gz CRXNQFOONMEDSG-UHFFFAOYSA-N -1 0 305.356 -0.699 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)COCC(F)F ZINC000860613262 806239224 /nfs/dbraw/zinc/23/92/24/806239224.db2.gz YNHRXVYQWDVMJW-UHFFFAOYSA-N -1 0 305.299 -0.623 20 0 DBADRM O=C(COCC(F)F)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000860685644 806242494 /nfs/dbraw/zinc/24/24/94/806242494.db2.gz UUNLTGOMTXPKSO-UHFFFAOYSA-N -1 0 309.294 -0.084 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)Cc1ccc(C(N)=O)nc1 ZINC000860706713 806243669 /nfs/dbraw/zinc/24/36/69/806243669.db2.gz IQVQLBJTCVLQLR-QMMMGPOBSA-N -1 0 315.351 -0.796 20 0 DBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)C2(C)CC2)c1 ZINC000860759256 806245133 /nfs/dbraw/zinc/24/51/33/806245133.db2.gz BGWUTRDSGVSMEJ-UHFFFAOYSA-N -1 0 301.324 -0.332 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)OC)O2)CC1 ZINC000860776067 806246458 /nfs/dbraw/zinc/24/64/58/806246458.db2.gz AFAPOQFNJMEDBS-DTWKUNHWSA-N -1 0 321.351 -0.668 20 0 DBADRM CC(C)(C(N)=O)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001317972234 806246504 /nfs/dbraw/zinc/24/65/04/806246504.db2.gz ACPBGFPHYOGCRL-QMMMGPOBSA-N -1 0 310.358 -0.898 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2cn3c(n2)COCC3)c1 ZINC000860824774 806249146 /nfs/dbraw/zinc/24/91/46/806249146.db2.gz XTHONYCFLSJNDJ-UHFFFAOYSA-N -1 0 311.323 -0.735 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000860823355 806249157 /nfs/dbraw/zinc/24/91/57/806249157.db2.gz CNSWCSFVFXHLHX-SNVBAGLBSA-N -1 0 316.383 -0.224 20 0 DBADRM Cn1ncc(CCC(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)n1 ZINC000861160543 806260040 /nfs/dbraw/zinc/26/00/40/806260040.db2.gz NPUZMEWMPCQHKJ-UHFFFAOYSA-N -1 0 308.310 -0.009 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)C1(C(F)F)CC1)S(C)(=O)=O ZINC000861163689 806260049 /nfs/dbraw/zinc/26/00/49/806260049.db2.gz VLADIRMQTZNLNW-UHFFFAOYSA-N -1 0 320.339 -0.879 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)CCC1 ZINC000861142201 806257215 /nfs/dbraw/zinc/25/72/15/806257215.db2.gz RKNRGPBRZTXVHZ-SECBINFHSA-N -1 0 318.395 -0.084 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)c[nH]1 ZINC000861162853 806260210 /nfs/dbraw/zinc/26/02/10/806260210.db2.gz FYQNQKOHLCJBOW-UHFFFAOYSA-N -1 0 307.278 -0.029 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000861143101 806257728 /nfs/dbraw/zinc/25/77/28/806257728.db2.gz HYDPUNWLECZIIL-MRVPVSSYSA-N -1 0 308.356 -0.302 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861162427 806259824 /nfs/dbraw/zinc/25/98/24/806259824.db2.gz RUWSPFDADUKPQO-QMMMGPOBSA-N -1 0 312.338 -0.049 20 0 DBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)c(=O)n1C ZINC000861159566 806259971 /nfs/dbraw/zinc/25/99/71/806259971.db2.gz OAILCFYXFHIUFW-UHFFFAOYSA-N -1 0 324.309 -0.866 20 0 DBADRM CCOCCO[C@@H](C)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001318133841 806265441 /nfs/dbraw/zinc/26/54/41/806265441.db2.gz VOXOEYKNYOXFAC-ZETCQYMHSA-N -1 0 306.344 -0.412 20 0 DBADRM Cn1nccc1C(NC(=O)N1CC(C(=O)[O-])C1)c1ccnn1C ZINC000861475585 806269044 /nfs/dbraw/zinc/26/90/44/806269044.db2.gz VYHXZFNHYQJQCS-UHFFFAOYSA-N -1 0 318.337 -0.031 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)NCCCCCC(=O)[O-])n1 ZINC000861718502 806283022 /nfs/dbraw/zinc/28/30/22/806283022.db2.gz MSBUEPJHJHCEOI-UHFFFAOYSA-N -1 0 311.342 -0.325 20 0 DBADRM CCOC(=O)C1=CC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000861718846 806283109 /nfs/dbraw/zinc/28/31/09/806283109.db2.gz RBCSGQQWFUCISW-SNVBAGLBSA-N -1 0 312.322 -0.265 20 0 DBADRM CN(C)C(=O)CCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001318323418 806283697 /nfs/dbraw/zinc/28/36/97/806283697.db2.gz MPANXOVPGPZCKU-UHFFFAOYSA-N -1 0 306.326 -0.944 20 0 DBADRM COC(=O)C1=CC[C@H](NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC000861720989 806284135 /nfs/dbraw/zinc/28/41/35/806284135.db2.gz LXSCNPMOMOGEBM-SCZZXKLOSA-N -1 0 312.322 -0.457 20 0 DBADRM CCOC(=O)C1=CC[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000861721226 806284451 /nfs/dbraw/zinc/28/44/51/806284451.db2.gz QVPIDEHJCJNYEN-QWRGUYRKSA-N -1 0 324.333 -0.312 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)n1 ZINC000861721185 806284632 /nfs/dbraw/zinc/28/46/32/806284632.db2.gz QHTICLBRVQNKCM-NXEZZACHSA-N -1 0 323.353 -0.517 20 0 DBADRM CN1C(=O)C[C@H](C(=O)Nn2c(=O)[n-][nH]c2=O)[C@H]1c1cccnc1 ZINC000861819334 806298854 /nfs/dbraw/zinc/29/88/54/806298854.db2.gz ROQVFZQAGZMKKD-WCBMZHEXSA-N -1 0 318.293 -0.626 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cc(S(C)(=O)=O)c(C)o1 ZINC000862130642 806312851 /nfs/dbraw/zinc/31/28/51/806312851.db2.gz NMHLNOKZMCBFGO-UHFFFAOYSA-N -1 0 304.324 -0.211 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001318691845 806322356 /nfs/dbraw/zinc/32/23/56/806322356.db2.gz VNMHAJKUIYGTQS-VIFPVBQESA-N -1 0 322.325 -0.971 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)CSc1n[n-]c(=S)s1 ZINC000863015519 806344479 /nfs/dbraw/zinc/34/44/79/806344479.db2.gz CLJJVNPEZRYKRI-YFKPBYRVSA-N -1 0 323.421 -0.041 20 0 DBADRM CC(C)OC[C@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000863416029 806355963 /nfs/dbraw/zinc/35/59/63/806355963.db2.gz BESWHTILYXEWCS-UWVGGRQHSA-N -1 0 322.383 -0.307 20 0 DBADRM CC(=O)C[C@@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC000863407445 806355973 /nfs/dbraw/zinc/35/59/73/806355973.db2.gz IKQIPVPHTGMBQN-SECBINFHSA-N -1 0 315.351 -0.070 20 0 DBADRM CCO[C@H](CS(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1)C1CC1 ZINC000863409967 806356051 /nfs/dbraw/zinc/35/60/51/806356051.db2.gz QKSLAXSNXOIUHH-PWSUYJOCSA-N -1 0 307.368 -0.347 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)n1C ZINC000863410290 806356198 /nfs/dbraw/zinc/35/61/98/806356198.db2.gz YYKLUDWHAWTBDW-NSHDSACASA-N -1 0 303.340 -0.359 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCOC2)C[C@@H](C(=O)[O-])O1 ZINC000863429607 806357014 /nfs/dbraw/zinc/35/70/14/806357014.db2.gz HEWFAUVCIIIJCE-MXWKQRLJSA-N -1 0 307.368 -0.083 20 0 DBADRM Cn1c(N[C@@H]2CC=C(C(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000863478507 806358746 /nfs/dbraw/zinc/35/87/46/806358746.db2.gz KZVGSKXTDUDUCH-SSDOTTSWSA-N -1 0 305.294 -0.042 20 0 DBADRM CCO[N-]C(=O)CN1C(=O)[C@@H]2CC[C@@H](C(=O)OC)CN2C1=O ZINC000863512786 806360552 /nfs/dbraw/zinc/36/05/52/806360552.db2.gz NQZCNLQVTWFBKZ-BDAKNGLRSA-N -1 0 313.310 -0.730 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)CC[C@H]1C(=O)[O-] ZINC000863747775 806370721 /nfs/dbraw/zinc/37/07/21/806370721.db2.gz RVNLFYDMMPSGRP-LNFKQOIKSA-N -1 0 324.333 -0.813 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863749294 806370843 /nfs/dbraw/zinc/37/08/43/806370843.db2.gz OCDHWEKLUZEAIW-TVLCNXBWSA-N -1 0 311.338 -0.968 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC(F)(F)CC2)CCO1 ZINC000863749703 806370997 /nfs/dbraw/zinc/37/09/97/806370997.db2.gz ZTLIEVICTMKNTJ-QMMMGPOBSA-N -1 0 306.265 -0.444 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](CCF)C2)C1 ZINC000863746293 806371070 /nfs/dbraw/zinc/37/10/70/806371070.db2.gz IWRXELRAYQUDTF-YGRLFVJLSA-N -1 0 316.329 -0.103 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)NCCCc1n[nH]c(=O)[n-]1 ZINC001319358945 806372529 /nfs/dbraw/zinc/37/25/29/806372529.db2.gz AYEGSECCGMJACE-UHFFFAOYSA-N -1 0 309.326 -0.512 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NN2CCOCC2)cn1 ZINC000863855147 806379539 /nfs/dbraw/zinc/37/95/39/806379539.db2.gz PCOIAJKUOBSYGR-UHFFFAOYSA-N -1 0 300.340 -0.570 20 0 DBADRM C[C@@H](O)[C@@H](CO)NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000863926184 806380009 /nfs/dbraw/zinc/38/00/09/806380009.db2.gz STLJGEZLMJBDCX-HTRCEHHLSA-N -1 0 324.255 -0.070 20 0 DBADRM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1C[C@H](O)[C@@H](O)C1 ZINC000863934569 806380719 /nfs/dbraw/zinc/38/07/19/806380719.db2.gz LVKYOJBTMQFXJM-UWVGGRQHSA-N -1 0 307.331 -0.198 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@]23COC(=O)N2CCOC3)CC=CC1 ZINC000864057230 806386217 /nfs/dbraw/zinc/38/62/17/806386217.db2.gz IKGFTYLNXPEZIH-ZDUSSCGKSA-N -1 0 310.306 -0.255 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@]23COC(=O)N2CCOC3)CC=CC1 ZINC000864057229 806386345 /nfs/dbraw/zinc/38/63/45/806386345.db2.gz IKGFTYLNXPEZIH-CYBMUJFWSA-N -1 0 310.306 -0.255 20 0 DBADRM O=C(Cn1cnc2sccc2c1=O)NCc1n[nH]c(=O)[n-]1 ZINC001319518735 806388016 /nfs/dbraw/zinc/38/80/16/806388016.db2.gz AAXXFNZDWDZHNS-UHFFFAOYSA-N -1 0 306.307 -0.402 20 0 DBADRM CS(=O)(=O)NCCNC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864109793 806390024 /nfs/dbraw/zinc/39/00/24/806390024.db2.gz ZBJZMDOLJCTGFW-HYXAFXHYSA-N -1 0 302.308 -0.344 20 0 DBADRM Cc1oc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1S(C)(=O)=O ZINC000864118768 806390341 /nfs/dbraw/zinc/39/03/41/806390341.db2.gz NARRJNDKTORJGY-MRVPVSSYSA-N -1 0 317.319 -0.083 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CCO1 ZINC000864123287 806390686 /nfs/dbraw/zinc/39/06/86/806390686.db2.gz LJEVDGOOBDPVJU-RNJXMRFFSA-N -1 0 313.228 -0.355 20 0 DBADRM O=C([O-])COCCNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000864171658 806390928 /nfs/dbraw/zinc/39/09/28/806390928.db2.gz ASADGMLIUJEMMB-AOOOYVTPSA-N -1 0 312.322 -0.621 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2CSCN2C(C)=O)[C@@](C)(C(=O)[O-])C1 ZINC000864181083 806390973 /nfs/dbraw/zinc/39/09/73/806390973.db2.gz IVVIOEXMQFHRAN-OUJBWJOFSA-N -1 0 316.379 -0.002 20 0 DBADRM O=C([O-])C1CC(NC(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000864207270 806391843 /nfs/dbraw/zinc/39/18/43/806391843.db2.gz NNJZTJLDISAPPK-UHFFFAOYSA-N -1 0 309.326 -0.452 20 0 DBADRM CN1CC[C@H](C(=O)NCc2cc(C(=O)[O-])co2)S1(=O)=O ZINC000864191364 806392149 /nfs/dbraw/zinc/39/21/49/806392149.db2.gz FPQMVGWRYJKREQ-SECBINFHSA-N -1 0 302.308 -0.372 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)CN1CCCS1(=O)=O)C1CC1 ZINC000864199676 806392310 /nfs/dbraw/zinc/39/23/10/806392310.db2.gz KZKWHUNGPTZJDU-GFCCVEGCSA-N -1 0 304.368 -0.219 20 0 DBADRM CN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000864502142 806395922 /nfs/dbraw/zinc/39/59/22/806395922.db2.gz RJTZOZVKZKTISS-ZJUUUORDSA-N -1 0 316.383 -0.283 20 0 DBADRM CO[C@@H]1CN(C(=O)NC[C@@H]2COCCO2)[C@](C)(C(=O)[O-])C1 ZINC000864527125 806396777 /nfs/dbraw/zinc/39/67/77/806396777.db2.gz WTQXXYMWKQWKTN-CWSCBRNRSA-N -1 0 302.327 -0.325 20 0 DBADRM O=C(CN1CCSC1=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC001319805908 806410481 /nfs/dbraw/zinc/41/04/81/806410481.db2.gz ZBUXWRGJRKCRQV-QMMMGPOBSA-N -1 0 308.381 -0.362 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@H](C)CCC(=O)[O-] ZINC001319863129 806413530 /nfs/dbraw/zinc/41/35/30/806413530.db2.gz KCPDDLIISJQCGM-SECBINFHSA-N -1 0 301.343 -0.612 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NCCn2cncn2)cc1 ZINC000865510353 806417763 /nfs/dbraw/zinc/41/77/63/806417763.db2.gz RUHHKXMBNWCLRP-UHFFFAOYSA-N -1 0 300.326 -0.145 20 0 DBADRM COCc1ccccc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001319937055 806420216 /nfs/dbraw/zinc/42/02/16/806420216.db2.gz JJCZEXKEIOMBTH-UHFFFAOYSA-N -1 0 305.294 -0.088 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=N[C@@H](C)C(=O)N(C)OC)cc1 ZINC000865974506 806430056 /nfs/dbraw/zinc/43/00/56/806430056.db2.gz MWAFOTQLANRMER-JTQLQIEISA-N -1 0 320.353 -0.028 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC001320032318 806432003 /nfs/dbraw/zinc/43/20/03/806432003.db2.gz WFTNVLDWKKONGR-NXEZZACHSA-N -1 0 311.319 -0.776 20 0 DBADRM Cn1cnnc1S(=O)(=O)CCC[N-]C(=O)C(F)(F)F ZINC001320040741 806432703 /nfs/dbraw/zinc/43/27/03/806432703.db2.gz BMJNBKDPHSBVCK-UHFFFAOYSA-N -1 0 300.262 -0.343 20 0 DBADRM CN1Cc2ccc(NC(=O)C(=O)NCc3n[nH]c(=O)[n-]3)cc2C1 ZINC001320191761 806448158 /nfs/dbraw/zinc/44/81/58/806448158.db2.gz PRMIBMZVWBXYOG-UHFFFAOYSA-N -1 0 316.321 -0.289 20 0 DBADRM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)[C@@H]1OC ZINC000867106294 806472146 /nfs/dbraw/zinc/47/21/46/806472146.db2.gz ABEZDMPZJKQBSC-YIZRAAEISA-N -1 0 300.402 -0.259 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)[C@@H]1CCCO1 ZINC000867206900 806479445 /nfs/dbraw/zinc/47/94/45/806479445.db2.gz ODQLZAWKDVDUGP-BDAKNGLRSA-N -1 0 300.402 -0.258 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1cccnc1-n1cncn1 ZINC001320380971 806483552 /nfs/dbraw/zinc/48/35/52/806483552.db2.gz KAZAJGKEPINYDB-UHFFFAOYSA-N -1 0 320.309 -0.315 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cnc2c(c1)nnn2C)c1nnn[n-]1 ZINC001320398965 806485584 /nfs/dbraw/zinc/48/55/84/806485584.db2.gz LKQYMLIHLSXEQG-ZETCQYMHSA-N -1 0 301.314 -0.248 20 0 DBADRM CCN1C[C@H]([N-]S(=O)(=O)N=S2(=O)CCCC2)CC1=O ZINC000867353335 806491407 /nfs/dbraw/zinc/49/14/07/806491407.db2.gz XQBKGZXYZKZIJU-SECBINFHSA-N -1 0 309.413 -0.297 20 0 DBADRM Cn1cc(-c2nn(C)cc2C(=O)NCc2nc(=O)o[n-]2)cn1 ZINC001320538802 806500713 /nfs/dbraw/zinc/50/07/13/806500713.db2.gz RMCHNPMBCDCBDD-UHFFFAOYSA-N -1 0 303.282 -0.573 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@H]1COCCN1C ZINC000867562694 806508148 /nfs/dbraw/zinc/50/81/48/806508148.db2.gz RFOIOLQRECWSPX-VIFPVBQESA-N -1 0 318.351 -0.325 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)cn1 ZINC001320691585 806517764 /nfs/dbraw/zinc/51/77/64/806517764.db2.gz CPSIHDVURTZTCT-SECBINFHSA-N -1 0 300.340 -0.814 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1cscn1 ZINC000867774002 806521391 /nfs/dbraw/zinc/52/13/91/806521391.db2.gz HHTUKPKNOGJYTF-VXNVDRBHSA-N -1 0 306.365 -0.001 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)C(=O)N3CCC3)C2)cn1 ZINC000868331026 806543301 /nfs/dbraw/zinc/54/33/01/806543301.db2.gz QVGLFAVSNOXREC-MNOVXSKESA-N -1 0 320.349 -0.331 20 0 DBADRM CO[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000868350594 806544255 /nfs/dbraw/zinc/54/42/55/806544255.db2.gz YVCTZJMNBWDJOA-AXFHLTTASA-N -1 0 314.338 -0.676 20 0 DBADRM O=C(COCC(=O)NCc1cccnc1)[N-]OC[C@@H]1CCOC1 ZINC001320988951 806551379 /nfs/dbraw/zinc/55/13/79/806551379.db2.gz LHKIMPMYRRQIIJ-CYBMUJFWSA-N -1 0 323.349 -0.201 20 0 DBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)c3cnnn3C)cnc21 ZINC001321151480 806579957 /nfs/dbraw/zinc/57/99/57/806579957.db2.gz NFRUUUHDDRBLQR-UHFFFAOYSA-N -1 0 321.322 -0.785 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000870169124 806596226 /nfs/dbraw/zinc/59/62/26/806596226.db2.gz NFVYSTJUJDCGBN-NSHDSACASA-N -1 0 303.384 -0.156 20 0 DBADRM Cc1ccn(C[C@H](C)C(=O)[N-]S(=O)(=O)N2CCOCC2)n1 ZINC000870214918 806597140 /nfs/dbraw/zinc/59/71/40/806597140.db2.gz VROOFLJHRPTELM-JTQLQIEISA-N -1 0 316.383 -0.479 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000870213738 806597188 /nfs/dbraw/zinc/59/71/88/806597188.db2.gz BDSZDBRQSNBBHH-NWDGAFQWSA-N -1 0 318.395 -0.258 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)[C@@H]1CCOC1 ZINC000870214299 806597683 /nfs/dbraw/zinc/59/76/83/806597683.db2.gz LDXFYZCCUOXQHH-MNOVXSKESA-N -1 0 322.383 -0.879 20 0 DBADRM CCO[C@@H](C(=O)[N-]S(=O)(=O)CCOC)C1CCOCC1 ZINC000870199475 806597715 /nfs/dbraw/zinc/59/77/15/806597715.db2.gz MSMPYCOGVKZOSN-LLVKDONJSA-N -1 0 309.384 -0.090 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC=CCNCc1ccon1 ZINC001321352990 806610983 /nfs/dbraw/zinc/61/09/83/806610983.db2.gz MBJZIVCUDZLJKB-UPHRSURJSA-N -1 0 308.298 -0.861 20 0 DBADRM Cn1nccc1C(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1 ZINC001321462943 806628100 /nfs/dbraw/zinc/62/81/00/806628100.db2.gz BGCLIXJWLXASJX-UHFFFAOYSA-N -1 0 320.334 -0.180 20 0 DBADRM Cc1cnn(-c2c(C(=O)NCc3n[nH]c(=O)[n-]3)c(C)nn2C)c1 ZINC001321494920 806630956 /nfs/dbraw/zinc/63/09/56/806630956.db2.gz KAAGBHTYUVDUQE-UHFFFAOYSA-N -1 0 316.325 -0.024 20 0 DBADRM CN(C)c1ccc(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cn1 ZINC001321502647 806632461 /nfs/dbraw/zinc/63/24/61/806632461.db2.gz LWNJLFSGXAWULC-GFCCVEGCSA-N -1 0 322.365 -0.152 20 0 DBADRM COc1ncccc1CNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001321544046 806638125 /nfs/dbraw/zinc/63/81/25/806638125.db2.gz FMYCFBVMFHTHAA-UHFFFAOYSA-N -1 0 309.322 -0.067 20 0 DBADRM NS(=O)(=O)NC[C@H]1CCCN(c2cc(C(=O)[O-])ncn2)C1 ZINC000871594049 806640091 /nfs/dbraw/zinc/64/00/91/806640091.db2.gz YYWGJZPBZYHDCL-MRVPVSSYSA-N -1 0 315.355 -0.816 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC000871775746 806642150 /nfs/dbraw/zinc/64/21/50/806642150.db2.gz IUXARBRFWYWKOG-DOLQZWNJSA-N -1 0 304.368 -0.555 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC[C@](OC)(C(=O)[O-])C1 ZINC000871772399 806642362 /nfs/dbraw/zinc/64/23/62/806642362.db2.gz SDZSCNMTOXOWSC-LLVKDONJSA-N -1 0 310.372 -0.625 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC000871778228 806642725 /nfs/dbraw/zinc/64/27/25/806642725.db2.gz ZDBLBTJMYQBZRQ-GRYCIOLGSA-N -1 0 318.395 -0.006 20 0 DBADRM CCOC(=O)c1[n-]n([C@H]2CCCS(=O)(=O)C2)c(=O)c1C ZINC000871962511 806644883 /nfs/dbraw/zinc/64/48/83/806644883.db2.gz DBSLCFAHIOPKGQ-IUCAKERBSA-N -1 0 302.352 -0.039 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000871996072 806646010 /nfs/dbraw/zinc/64/60/10/806646010.db2.gz LUODNUWHZPPRCG-KTWSDMTRSA-N -1 0 316.379 -0.207 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000871997371 806646232 /nfs/dbraw/zinc/64/62/32/806646232.db2.gz QQYHRFZYVQBOAT-UHFFFAOYSA-N -1 0 311.237 -0.076 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C(F)F)C2)C1 ZINC000872183782 806647883 /nfs/dbraw/zinc/64/78/83/806647883.db2.gz KAMXZBBTJQRWHF-SFYZADRCSA-N -1 0 306.265 -0.588 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1cc2n(n1)CCN(C)C2 ZINC000872412752 806657446 /nfs/dbraw/zinc/65/74/46/806657446.db2.gz WGLKADUTDQXYRP-UHFFFAOYSA-N -1 0 302.356 -0.367 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC001321689886 806658229 /nfs/dbraw/zinc/65/82/29/806658229.db2.gz ONTAWVLUEQJREW-UHFFFAOYSA-N -1 0 317.305 -0.597 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)C(=O)[N-]OCC(C)C)CC1 ZINC001321773736 806668505 /nfs/dbraw/zinc/66/85/05/806668505.db2.gz HOMURXMGDRUXIY-UHFFFAOYSA-N -1 0 314.386 -0.983 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1cnn2ccncc12 ZINC001321788990 806670750 /nfs/dbraw/zinc/67/07/50/806670750.db2.gz NQMSQYIGNJEJNM-UHFFFAOYSA-N -1 0 306.307 -0.419 20 0 DBADRM CC(C)(C)S(=O)(=O)CCCN1CCN(C(=O)C(=O)[O-])CC1 ZINC000873642079 806687698 /nfs/dbraw/zinc/68/76/98/806687698.db2.gz LWBCRGPXDOLYNH-UHFFFAOYSA-N -1 0 320.411 -0.181 20 0 DBADRM CCn1ncc(C(=O)[N-]N2CC(=O)NC2=O)c1Br ZINC000874066201 806697748 /nfs/dbraw/zinc/69/77/48/806697748.db2.gz FMYVOJUWIHUXEZ-UHFFFAOYSA-N -1 0 316.115 -0.138 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)c1ccc([O-])c(Cl)c1 ZINC000874895705 806718218 /nfs/dbraw/zinc/71/82/18/806718218.db2.gz HGXDDFPNRYTYOA-UHFFFAOYSA-N -1 0 313.741 -0.020 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCCC(=O)NC1CC1 ZINC001322265225 806728698 /nfs/dbraw/zinc/72/86/98/806728698.db2.gz SHTFYADTVSWIIQ-UHFFFAOYSA-N -1 0 303.384 -0.428 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H](C)COCC(F)(F)F ZINC001322548457 806751726 /nfs/dbraw/zinc/75/17/26/806751726.db2.gz XIIAWQOVYUUDMT-SSDOTTSWSA-N -1 0 302.249 -0.236 20 0 DBADRM CCOC(=O)C1(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CC1 ZINC001322556161 806752960 /nfs/dbraw/zinc/75/29/60/806752960.db2.gz VRWYFIDODNWQPE-UHFFFAOYSA-N -1 0 309.326 -0.647 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1nccn1C(F)F ZINC001322551777 806753012 /nfs/dbraw/zinc/75/30/12/806753012.db2.gz RITUYMVEBIKERB-UHFFFAOYSA-N -1 0 306.269 -0.021 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1c2ccccc2CN1C ZINC000875766117 806765142 /nfs/dbraw/zinc/76/51/42/806765142.db2.gz IYMDUZSYANQJBQ-CYBMUJFWSA-N -1 0 307.350 -0.017 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H](C)CS(=O)(=O)CC ZINC001322762908 806777117 /nfs/dbraw/zinc/77/71/17/806777117.db2.gz ILFDKMKTQWNGEF-SECBINFHSA-N -1 0 310.372 -0.990 20 0 DBADRM O=C(NCCCN1CCOC1=O)c1c[n-]n2c1nccc2=O ZINC001322825309 806786266 /nfs/dbraw/zinc/78/62/66/806786266.db2.gz UNFZHVLIUUZFKF-UHFFFAOYSA-N -1 0 305.294 -0.405 20 0 DBADRM CO[C@H](CNC(=O)C(=O)[N-]OC[C@H]1CCOC1)C(F)(F)F ZINC001322826943 806787153 /nfs/dbraw/zinc/78/71/53/806787153.db2.gz FQISSSVRWSWOLO-JGVFFNPUSA-N -1 0 314.260 -0.236 20 0 DBADRM COc1ccc(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)nc1 ZINC001322924085 806799592 /nfs/dbraw/zinc/79/95/92/806799592.db2.gz YPDZCMVMJWVQOH-JTQLQIEISA-N -1 0 309.322 -0.209 20 0 DBADRM C[C@H](CNC(=O)C(=O)[N-]OCc1ccccc1)S(C)(=O)=O ZINC001322952161 806802973 /nfs/dbraw/zinc/80/29/73/806802973.db2.gz LJELPYJNQOXYEN-SNVBAGLBSA-N -1 0 314.363 -0.216 20 0 DBADRM CC(C)(O)c1cccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC001322996616 806809564 /nfs/dbraw/zinc/80/95/64/806809564.db2.gz KJZCBRJOYXITKS-UHFFFAOYSA-N -1 0 319.321 -0.007 20 0 DBADRM O=C([N-]OC1CCCCC1)C(=O)NCCN1C(=O)CNC1=O ZINC001323027827 806813957 /nfs/dbraw/zinc/81/39/57/806813957.db2.gz UKMKTKMQTUICBT-UHFFFAOYSA-N -1 0 312.326 -0.965 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)NCCOCC(F)(F)F ZINC001323016514 806811837 /nfs/dbraw/zinc/81/18/37/806811837.db2.gz XHRNKUFEYXJQAY-UHFFFAOYSA-N -1 0 314.260 -0.092 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC001323059401 806819087 /nfs/dbraw/zinc/81/90/87/806819087.db2.gz PQHWOOTUJJQQIA-UHFFFAOYSA-N -1 0 320.309 -0.315 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1ccn(CCOC)n1 ZINC001323138542 806828067 /nfs/dbraw/zinc/82/80/67/806828067.db2.gz OOVLFAXEJRAUSH-UHFFFAOYSA-N -1 0 300.315 -0.448 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2ccc(CN3CCOCC3)o2)C1=O ZINC000879360557 806884412 /nfs/dbraw/zinc/88/44/12/806884412.db2.gz VJZPEXLHMAFJEU-UHFFFAOYSA-N -1 0 322.321 -0.349 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC1CCN(c2cccnn2)CC1 ZINC001323542345 806885371 /nfs/dbraw/zinc/88/53/71/806885371.db2.gz OELHCGDVXVCDBN-UHFFFAOYSA-N -1 0 323.353 -0.744 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCOC(F)(F)F ZINC001323545681 806886633 /nfs/dbraw/zinc/88/66/33/806886633.db2.gz PAQFESDEMYIHMN-ZETCQYMHSA-N -1 0 300.233 -0.277 20 0 DBADRM COC[C@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)[C@@H]1CCCO1 ZINC001323585269 806892244 /nfs/dbraw/zinc/89/22/44/806892244.db2.gz KCEXYSXSSBNHPR-WOPDTQHZSA-N -1 0 316.354 -0.619 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC ZINC001323761640 806911994 /nfs/dbraw/zinc/91/19/94/806911994.db2.gz QWUUPLWSBQYWNX-VWYCJHECSA-N -1 0 304.343 -0.621 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000880393618 806922463 /nfs/dbraw/zinc/92/24/63/806922463.db2.gz QFWYQRDYFKXTNI-RQJHMYQMSA-N -1 0 311.216 -0.332 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCOc1ncccc1F ZINC001323911410 806928395 /nfs/dbraw/zinc/92/83/95/806928395.db2.gz FPLGXUOOEGVGFJ-UHFFFAOYSA-N -1 0 301.274 -0.590 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)N[C@H]1CCC[C@H]1CCO ZINC001323929516 806929019 /nfs/dbraw/zinc/92/90/19/806929019.db2.gz JHTULDWAYQLDGK-JQWIXIFHSA-N -1 0 300.355 -0.120 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)N[C@H]1CCC[C@@H]1CCO ZINC001323929518 806929097 /nfs/dbraw/zinc/92/90/97/806929097.db2.gz JHTULDWAYQLDGK-PWSUYJOCSA-N -1 0 300.355 -0.120 20 0 DBADRM CC(C)OC(=O)CCCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001323938172 806930449 /nfs/dbraw/zinc/93/04/49/806930449.db2.gz NFOVYCVBUZGOFG-LLVKDONJSA-N -1 0 316.354 -0.081 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCC(=O)N1CCc2ccccc21 ZINC001324005495 806936780 /nfs/dbraw/zinc/93/67/80/806936780.db2.gz NPYQJSUHVNEDGU-UHFFFAOYSA-N -1 0 321.333 -0.614 20 0 DBADRM CCN1OC[C@@H](n2cc(C[N-]C(=O)C(F)(F)F)nn2)C1=O ZINC000881327617 806940942 /nfs/dbraw/zinc/94/09/42/806940942.db2.gz PLNGAYCDFWYWFP-SSDOTTSWSA-N -1 0 307.232 -0.209 20 0 DBADRM C[C@H](C1CC1)n1cc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cn1 ZINC001324223764 806953455 /nfs/dbraw/zinc/95/34/55/806953455.db2.gz HRJPABPEAQGRMY-SSDOTTSWSA-N -1 0 319.325 -0.067 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC001324382560 806969116 /nfs/dbraw/zinc/96/91/16/806969116.db2.gz IVBKWTQOAQPJLU-UHFFFAOYSA-N -1 0 301.324 -0.351 20 0 DBADRM CC[C@H](NS(=O)(=O)N=[S@](C)(=O)N(C)C)[C@H](O)C(F)F ZINC000882229867 806972260 /nfs/dbraw/zinc/97/22/60/806972260.db2.gz KKXVESNTVDFAIB-QEYXHICPSA-N -1 0 323.387 -0.200 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCOC[C@@H]1CCOC1 ZINC001324420668 806973122 /nfs/dbraw/zinc/97/31/22/806973122.db2.gz SIWSSXGSFRRQQD-VXGBXAGGSA-N -1 0 316.354 -0.760 20 0 DBADRM COC(=O)[C@H](CCF)[N-]S(=O)(=O)C1(C(=O)OC)CCC1 ZINC000882319272 806976801 /nfs/dbraw/zinc/97/68/01/806976801.db2.gz HAPFWISSZPFVBF-QMMMGPOBSA-N -1 0 311.331 -0.097 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)[N-]OCCSC ZINC001324652946 806997429 /nfs/dbraw/zinc/99/74/29/806997429.db2.gz YHMDBBUFDZKEEW-MRVPVSSYSA-N -1 0 312.413 -0.663 20 0 DBADRM COCCO[C@H]1C[C@H](CO)CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001324740849 807003770 /nfs/dbraw/zinc/00/37/70/807003770.db2.gz GZIQWXCGVIFLIR-QWRGUYRKSA-N -1 0 313.354 -0.090 20 0 DBADRM NC(=O)C1=NO[C@@H]2CN(Cc3ccc(OCC(=O)[O-])cc3)C[C@H]12 ZINC001278022151 803742484 /nfs/dbraw/zinc/74/24/84/803742484.db2.gz PVHOKYHJXYVVAN-NWDGAFQWSA-N -1 0 319.317 -0.178 20 0 DBADRM CC[C@@H](C)CN1CCn2c(nnc2C(=O)N=c2nn[n-]n2C)C1 ZINC001278125256 803757272 /nfs/dbraw/zinc/75/72/72/803757272.db2.gz XVWVJUWISIXSNS-SECBINFHSA-N -1 0 319.373 -0.663 20 0 DBADRM C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037838256 803760301 /nfs/dbraw/zinc/76/03/01/803760301.db2.gz SFGGXVHDBWIYSF-SFYZADRCSA-N -1 0 315.351 -0.013 20 0 DBADRM CCCN(CC(=O)NC)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000038100396 803762377 /nfs/dbraw/zinc/76/23/77/803762377.db2.gz PEMFATAJBPTXGH-UHFFFAOYSA-N -1 0 303.340 -0.140 20 0 DBADRM CCOC(=O)CN(CC)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000042558721 803765486 /nfs/dbraw/zinc/76/54/86/803765486.db2.gz CRWQFIOZBRJSSH-UHFFFAOYSA-N -1 0 319.339 -0.459 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000048445703 803773890 /nfs/dbraw/zinc/77/38/90/803773890.db2.gz SIGOMUGTIBXMQR-ZCFIWIBFSA-N -1 0 302.308 -0.497 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@@H]1CC12CC2 ZINC001035520525 814965407 /nfs/dbraw/zinc/96/54/07/814965407.db2.gz CZDYCRFJIIILFQ-UWVGGRQHSA-N -1 0 307.354 -0.373 20 0 DBADRM O=C([O-])CCc1ccc(S(=O)(=O)NC(CO)CO)cc1 ZINC000087751201 803799391 /nfs/dbraw/zinc/79/93/91/803799391.db2.gz KZLJSHBSMLURSW-UHFFFAOYSA-N -1 0 303.336 -0.665 20 0 DBADRM CCOc1ccc(S(=O)(=O)NC(CO)CO)cc1C(=O)[O-] ZINC000087750823 803799466 /nfs/dbraw/zinc/79/94/66/803799466.db2.gz PKMOOWVIAFAIDS-UHFFFAOYSA-N -1 0 319.335 -0.585 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)C(=O)[O-] ZINC000090275735 803801041 /nfs/dbraw/zinc/80/10/41/803801041.db2.gz SQQUPHPXWCBNBH-VSYUYLJXSA-N -1 0 302.352 -0.608 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cnn(C)c1-n1cccc1 ZINC000111993932 803807457 /nfs/dbraw/zinc/80/74/57/803807457.db2.gz ZSVVOEAPWAUPHR-UHFFFAOYSA-N -1 0 312.351 -0.083 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000120101797 803809294 /nfs/dbraw/zinc/80/92/94/803809294.db2.gz MLIWRWAPFKHNJR-RKDXNWHRSA-N -1 0 302.352 -0.373 20 0 DBADRM COc1cccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000124107071 803809839 /nfs/dbraw/zinc/80/98/39/803809839.db2.gz PJLKJUBKSCGYPR-KCJUWKMLSA-N -1 0 301.320 -0.096 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000121640995 803809936 /nfs/dbraw/zinc/80/99/36/803809936.db2.gz WPWFMOBFPLVADC-UHFFFAOYSA-N -1 0 313.257 -0.254 20 0 DBADRM C[C@@H](CCNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000128886092 803812420 /nfs/dbraw/zinc/81/24/20/803812420.db2.gz HVIUKWZDFJSTRK-ZETCQYMHSA-N -1 0 303.340 -0.487 20 0 DBADRM C[C@H](CCNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000128886343 803812998 /nfs/dbraw/zinc/81/29/98/803812998.db2.gz HVIUKWZDFJSTRK-SSDOTTSWSA-N -1 0 303.340 -0.487 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](C)CC(N)=O)cc1C(=O)[O-] ZINC000136087114 803816776 /nfs/dbraw/zinc/81/67/76/803816776.db2.gz OTMSXVUUQHLDFX-ZETCQYMHSA-N -1 0 316.335 -0.064 20 0 DBADRM O=C(C=C1CCC1)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001278770652 803819811 /nfs/dbraw/zinc/81/98/11/803819811.db2.gz CBGDTPQXBZDNRQ-AWEZNQCLSA-N -1 0 307.354 -0.326 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCNC(=O)C2CC2)c[nH]1 ZINC000160680103 803823044 /nfs/dbraw/zinc/82/30/44/803823044.db2.gz AZAKYKAUHIPUST-UHFFFAOYSA-N -1 0 301.324 -0.483 20 0 DBADRM Cc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)cc1C(=O)[O-] ZINC000316782721 803839554 /nfs/dbraw/zinc/83/95/54/803839554.db2.gz FAVKADSPCUUNIH-JOYOIKCWSA-N -1 0 315.347 -0.333 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC/C=C\C(=O)[O-] ZINC000380180244 803851936 /nfs/dbraw/zinc/85/19/36/803851936.db2.gz DYARZINVGVITDG-JVBZPZKUSA-N -1 0 306.340 -0.511 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCn1cncn1 ZINC000382003250 803852892 /nfs/dbraw/zinc/85/28/92/803852892.db2.gz JGNFHOMTIYXQKO-UHFFFAOYSA-N -1 0 300.296 -0.144 20 0 DBADRM NS(=O)(=O)c1ccc(NCCn2cnnc2)c(C(=O)[O-])c1 ZINC000381936970 803853501 /nfs/dbraw/zinc/85/35/01/803853501.db2.gz SQPKEIWGKCXLQP-UHFFFAOYSA-N -1 0 311.323 -0.264 20 0 DBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC[C@@](O)(C(=O)[O-])C1)CS2 ZINC000386479527 803855453 /nfs/dbraw/zinc/85/54/53/803855453.db2.gz QCZOXEKPVYUXJZ-JCOFBHIZSA-N -1 0 314.363 -0.512 20 0 DBADRM O=C([O-])/C=C\CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000385098681 803855851 /nfs/dbraw/zinc/85/58/51/803855851.db2.gz OPBOUPDPWZTERG-UPHRSURJSA-N -1 0 312.303 -0.063 20 0 DBADRM CCn1cc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)nc1C ZINC000386503454 803855860 /nfs/dbraw/zinc/85/58/60/803855860.db2.gz UUBNJJDWVYTBCD-NSHDSACASA-N -1 0 303.340 -0.578 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000386463643 803855935 /nfs/dbraw/zinc/85/59/35/803855935.db2.gz NRNLQCLUWDICOH-LLVKDONJSA-N -1 0 303.340 -0.753 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)C1 ZINC000386472603 803855982 /nfs/dbraw/zinc/85/59/82/803855982.db2.gz PEDHAJQHIWCWQA-UMNHJUIQSA-N -1 0 306.384 -0.270 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000386495646 803856026 /nfs/dbraw/zinc/85/60/26/803856026.db2.gz SYMQRQOWBYECTM-NSHDSACASA-N -1 0 316.291 -0.195 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000386434144 803856042 /nfs/dbraw/zinc/85/60/42/803856042.db2.gz JGEXILIFWCCEPT-ZDUSSCGKSA-N -1 0 313.331 -0.168 20 0 DBADRM C[C@@H](O)[C@@H](CO)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000387405681 803857043 /nfs/dbraw/zinc/85/70/43/803857043.db2.gz BNKYBRLEAXFRHS-LDYMZIIASA-N -1 0 319.335 -0.830 20 0 DBADRM N#Cc1c(F)cccc1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000392241847 803858938 /nfs/dbraw/zinc/85/89/38/803858938.db2.gz YMHSCUMBVPNLOL-UHFFFAOYSA-N -1 0 312.282 -0.105 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@]2(CO)CCOC2)ccc1F ZINC000393881581 803859967 /nfs/dbraw/zinc/85/99/67/803859967.db2.gz FKFQHFCQERFQRZ-LBPRGKRZSA-N -1 0 319.310 -0.046 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000396657408 803861240 /nfs/dbraw/zinc/86/12/40/803861240.db2.gz QYIDPWWNWRYHBO-UHFFFAOYSA-N -1 0 306.318 -0.041 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)NCCCOCC2CC2)CC1 ZINC000396619901 803861457 /nfs/dbraw/zinc/86/14/57/803861457.db2.gz AMRLYMBGCZVGSV-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)CN2CCCCCC2=O)CC1 ZINC000396693670 803861891 /nfs/dbraw/zinc/86/18/91/803861891.db2.gz VJNBXMYDSTUQNO-UHFFFAOYSA-N -1 0 311.338 -0.856 20 0 DBADRM CNC(=O)NCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000397370307 803862870 /nfs/dbraw/zinc/86/28/70/803862870.db2.gz MNDHLJJGKIARGH-UHFFFAOYSA-N -1 0 320.302 -0.059 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC000396899406 803863462 /nfs/dbraw/zinc/86/34/62/803863462.db2.gz VSGGESDUFJHSHI-ONGXEEELSA-N -1 0 315.347 -0.251 20 0 DBADRM CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)CCS(C)(=O)=O ZINC000399699789 803864012 /nfs/dbraw/zinc/86/40/12/803864012.db2.gz BWUGVKUWAGBEHL-BDAKNGLRSA-N -1 0 315.413 -0.304 20 0 DBADRM C[C@@H]1COCCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000399105097 803864498 /nfs/dbraw/zinc/86/44/98/803864498.db2.gz GPHLKQUXKYQKAR-QWRGUYRKSA-N -1 0 306.384 -0.004 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000558718493 803874188 /nfs/dbraw/zinc/87/41/88/803874188.db2.gz ZEAYZLJXHPUIRC-KOLCDFICSA-N -1 0 323.367 -0.573 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)c1n[nH]c(C)c1[O-])C2 ZINC000647166131 803895493 /nfs/dbraw/zinc/89/54/93/803895493.db2.gz DUDOFCIUBRZVPN-UHFFFAOYSA-N -1 0 306.326 -0.140 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N[C@H](Cc2ncccn2)C(=O)[O-])C1 ZINC000650428559 803898341 /nfs/dbraw/zinc/89/83/41/803898341.db2.gz OBHLGGGXEWSOHI-VHSXEESVSA-N -1 0 314.367 -0.352 20 0 DBADRM CC(C)[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cnnn1C ZINC000650419858 803898595 /nfs/dbraw/zinc/89/85/95/803898595.db2.gz FRMBLNUQVBURAP-WCBMZHEXSA-N -1 0 302.356 -0.065 20 0 DBADRM CC[C@H](NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000690659485 803907968 /nfs/dbraw/zinc/90/79/68/803907968.db2.gz MWYHMESMIKILOL-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM O=C(Cn1cncn1)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001279682115 803910795 /nfs/dbraw/zinc/91/07/95/803910795.db2.gz QFEHEGQWMQQYBP-UHFFFAOYSA-N -1 0 318.341 -0.950 20 0 DBADRM CN(CCCNC(=O)N(C)C(C)(C)C(=O)[O-])S(C)(=O)=O ZINC000709528077 803918281 /nfs/dbraw/zinc/91/82/81/803918281.db2.gz GZRYZTJEIUZYBN-UHFFFAOYSA-N -1 0 309.388 -0.228 20 0 DBADRM CCN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H](C)C(=O)[O-] ZINC000707905691 803918456 /nfs/dbraw/zinc/91/84/56/803918456.db2.gz SMUBKUVIPZCVKV-UWVGGRQHSA-N -1 0 306.384 -0.020 20 0 DBADRM CN(CCCC(=O)NCCC(=O)N1CCOCC1)C(=O)[O-] ZINC000737426446 803934106 /nfs/dbraw/zinc/93/41/06/803934106.db2.gz VMXPMRVJFHRGOL-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000737615504 803934368 /nfs/dbraw/zinc/93/43/68/803934368.db2.gz ATLZJHXXZQPKCC-VHSXEESVSA-N -1 0 306.384 -0.117 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1ccn(C)n1 ZINC000737971200 803935770 /nfs/dbraw/zinc/93/57/70/803935770.db2.gz HCIOHCIGRRXCIZ-SNVBAGLBSA-N -1 0 308.338 -0.185 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000738452836 803936888 /nfs/dbraw/zinc/93/68/88/803936888.db2.gz DDQTWLZHHBNXIW-UHFFFAOYSA-N -1 0 310.350 -0.051 20 0 DBADRM COCCS(=O)(=O)CCCN1CCSC[C@H]1C(=O)[O-] ZINC000738067493 803936911 /nfs/dbraw/zinc/93/69/11/803936911.db2.gz ILFYELYBTFXSEC-JTQLQIEISA-N -1 0 311.425 -0.060 20 0 DBADRM Cn1ncc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1C1CC1 ZINC000738418772 803937204 /nfs/dbraw/zinc/93/72/04/803937204.db2.gz MDFYSQRQMAMCOA-UHFFFAOYSA-N -1 0 306.322 -0.334 20 0 DBADRM Cc1nccn1CCCC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000738368183 803937247 /nfs/dbraw/zinc/93/72/47/803937247.db2.gz BOJRGFOEPWAIJJ-UHFFFAOYSA-N -1 0 308.338 -0.273 20 0 DBADRM COCCS(=O)(=O)CCCN1CCSC[C@@H]1C(=O)[O-] ZINC000738067494 803937348 /nfs/dbraw/zinc/93/73/48/803937348.db2.gz ILFYELYBTFXSEC-SNVBAGLBSA-N -1 0 311.425 -0.060 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)CCOC[C@@H]2CCCO2)CC1 ZINC000738517854 803938294 /nfs/dbraw/zinc/93/82/94/803938294.db2.gz PHAARYQEWBYTHK-NSHDSACASA-N -1 0 314.338 -0.673 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000739200892 803939635 /nfs/dbraw/zinc/93/96/35/803939635.db2.gz NYUVFRCPQZMOTI-SECBINFHSA-N -1 0 312.413 -0.344 20 0 DBADRM COCCN(CC(=O)N1CCCC[C@H]1CNC(N)=O)C(=O)[O-] ZINC000739815715 803942370 /nfs/dbraw/zinc/94/23/70/803942370.db2.gz HGBXMHCCBMULNW-JTQLQIEISA-N -1 0 316.358 -0.338 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)Nc1cnn(CC(N)=O)c1 ZINC000740011908 803943294 /nfs/dbraw/zinc/94/32/94/803943294.db2.gz HOZDNQWPNDDODO-QMMMGPOBSA-N -1 0 315.355 -0.304 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)c1ccc(C(=O)[O-])nc1 ZINC000741620293 803960544 /nfs/dbraw/zinc/96/05/44/803960544.db2.gz YDXXWZRNORTPDF-UHFFFAOYSA-N -1 0 316.335 -0.429 20 0 DBADRM CC(C)(C)OC(=O)CNS(=O)(=O)CCS(C)(=O)=O ZINC000742295582 803967719 /nfs/dbraw/zinc/96/77/19/803967719.db2.gz CVLGHIIBJDLSRP-UHFFFAOYSA-N -1 0 301.386 -0.708 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)C(C)C)C1=O ZINC000743494650 803981832 /nfs/dbraw/zinc/98/18/32/803981832.db2.gz JZZLBHJBLVGPJV-UHFFFAOYSA-N -1 0 319.383 -0.049 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000744242887 803988516 /nfs/dbraw/zinc/98/85/16/803988516.db2.gz KNWRFSGJXFFRSZ-UHFFFAOYSA-N -1 0 320.415 -0.307 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)Sc1nncn1C ZINC000744240976 803988733 /nfs/dbraw/zinc/98/87/33/803988733.db2.gz YBXRRWFPUSTPJR-ZETCQYMHSA-N -1 0 307.401 -0.392 20 0 DBADRM Nc1nonc1C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000744870242 803995554 /nfs/dbraw/zinc/99/55/54/803995554.db2.gz SOSHKYCGALAVLL-UHFFFAOYSA-N -1 0 323.290 -0.169 20 0 DBADRM CCCOC(=O)[C@@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000744988867 803997326 /nfs/dbraw/zinc/99/73/26/803997326.db2.gz YZJNUHXYMWSPET-MRVPVSSYSA-N -1 0 308.294 -0.044 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)NCCNC(N)=O)cc2=O)cc1 ZINC000746272208 804013563 /nfs/dbraw/zinc/01/35/63/804013563.db2.gz LRJPDKZCEJKOAG-UHFFFAOYSA-N -1 0 303.322 -0.128 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000746355756 804014503 /nfs/dbraw/zinc/01/45/03/804014503.db2.gz FQRSKJMKBHTGJB-SECBINFHSA-N -1 0 314.363 -0.019 20 0 DBADRM CCC(=O)N[C@H](C)CCCNC(=O)c1cnc([O-])n(C)c1=O ZINC001280778261 804017281 /nfs/dbraw/zinc/01/72/81/804017281.db2.gz QTMZSMWRPXEFGY-SECBINFHSA-N -1 0 310.354 -0.089 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC000747119964 804024210 /nfs/dbraw/zinc/02/42/10/804024210.db2.gz YBZYPUDWKNYYLK-CABZTGNLSA-N -1 0 306.384 -0.274 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CCCF ZINC000747134436 804024761 /nfs/dbraw/zinc/02/47/61/804024761.db2.gz QMBURYVBGSMYPO-QMMMGPOBSA-N -1 0 316.376 -0.784 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCCCC2)o1 ZINC000747217530 804025373 /nfs/dbraw/zinc/02/53/73/804025373.db2.gz CDINWOUBRULAOV-UHFFFAOYSA-N -1 0 301.324 -0.161 20 0 DBADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)Cc2ccon2)no1 ZINC000747182725 804025463 /nfs/dbraw/zinc/02/54/63/804025463.db2.gz PTOXWFKHDPFWDF-UHFFFAOYSA-N -1 0 301.280 -0.004 20 0 DBADRM O=C([N-]S(=O)(=O)Cc1ccon1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000747178333 804025561 /nfs/dbraw/zinc/02/55/61/804025561.db2.gz GDOOQAKUTWQSTG-QMMMGPOBSA-N -1 0 313.335 -0.369 20 0 DBADRM CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747752412 804031485 /nfs/dbraw/zinc/03/14/85/804031485.db2.gz SLXCWBYUXBFSPJ-UHFFFAOYSA-N -1 0 321.399 -0.626 20 0 DBADRM COc1ccc(CC(=O)[N-]S(=O)(=O)N2CCOCC2)cc1 ZINC000747752063 804031517 /nfs/dbraw/zinc/03/15/17/804031517.db2.gz NYOYEDHZFWBVKC-UHFFFAOYSA-N -1 0 314.363 -0.069 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747756903 804031837 /nfs/dbraw/zinc/03/18/37/804031837.db2.gz FLUBDJOQWCVJOI-QWRGUYRKSA-N -1 0 322.383 -0.736 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)[N-]O[C@@H]1CCCCO1 ZINC000747906769 804033220 /nfs/dbraw/zinc/03/32/20/804033220.db2.gz AEFDYDMGLLNSIV-GFCCVEGCSA-N -1 0 324.399 -0.095 20 0 DBADRM CC(=O)N1C[C@H](C(=O)NCc2n[nH]c(=O)[n-]2)Oc2ccccc21 ZINC000748416940 804039053 /nfs/dbraw/zinc/03/90/53/804039053.db2.gz AVNQGPYHIIYITG-LLVKDONJSA-N -1 0 317.305 -0.059 20 0 DBADRM COCCO[N-]C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000748770807 804043215 /nfs/dbraw/zinc/04/32/15/804043215.db2.gz SKDBYKOJATXMEW-UHFFFAOYSA-N -1 0 303.340 -0.604 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(=O)n(C)c2)cn1 ZINC000749228321 804047242 /nfs/dbraw/zinc/04/72/42/804047242.db2.gz UDCXUXNJHQTPGB-UHFFFAOYSA-N -1 0 310.335 -0.280 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)cn1 ZINC000749217866 804047477 /nfs/dbraw/zinc/04/74/77/804047477.db2.gz PRHDHMNLWJXXLM-UHFFFAOYSA-N -1 0 311.323 -0.551 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN2CCSC2=O)cn1 ZINC000749219956 804048006 /nfs/dbraw/zinc/04/80/06/804048006.db2.gz GKQWXDRAZSREPC-UHFFFAOYSA-N -1 0 318.380 -0.123 20 0 DBADRM CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cc(=O)[nH][n-]1 ZINC000749534986 804050274 /nfs/dbraw/zinc/05/02/74/804050274.db2.gz NBKYKDUIFFYUAB-UHFFFAOYSA-N -1 0 300.278 -0.034 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C=C1CCC1 ZINC001281029743 804059513 /nfs/dbraw/zinc/05/95/13/804059513.db2.gz NZSKOWABVOUCIM-MRVPVSSYSA-N -1 0 321.337 -0.030 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2 ZINC000750622362 804062945 /nfs/dbraw/zinc/06/29/45/804062945.db2.gz ZUPGESPJHKPYQA-UHFFFAOYSA-N -1 0 316.383 -0.228 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc1 ZINC000750725249 804064213 /nfs/dbraw/zinc/06/42/13/804064213.db2.gz MLDYLKOGFICPLV-UHFFFAOYSA-N -1 0 313.335 -0.908 20 0 DBADRM O=C(COC(=O)C[C@@H]1NC(=O)NC1=O)[N-]OCc1ccccc1 ZINC000751568943 804077954 /nfs/dbraw/zinc/07/79/54/804077954.db2.gz ZLSAEFDHIFAZHA-JTQLQIEISA-N -1 0 321.289 -0.624 20 0 DBADRM CCOC(=O)NCCCC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000751928963 804081614 /nfs/dbraw/zinc/08/16/14/804081614.db2.gz WCLSAECGZFTXGK-VIFPVBQESA-N -1 0 312.330 -0.374 20 0 DBADRM CCOC(=O)[C@H](CC1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC000752727157 804092468 /nfs/dbraw/zinc/09/24/68/804092468.db2.gz VQQSZCOEVIOXSO-JTQLQIEISA-N -1 0 309.322 -0.053 20 0 DBADRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)nc1 ZINC000753521688 804104282 /nfs/dbraw/zinc/10/42/82/804104282.db2.gz JXPFOUJFFATVKE-UHFFFAOYSA-N -1 0 322.346 -0.054 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000753946167 804114106 /nfs/dbraw/zinc/11/41/06/804114106.db2.gz DWCPZKSDQQCNBB-UHFFFAOYSA-N -1 0 322.346 -0.221 20 0 DBADRM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1cc(=O)[nH][n-]1 ZINC000754501434 804121230 /nfs/dbraw/zinc/12/12/30/804121230.db2.gz QRCULIWYQWELDU-UHFFFAOYSA-N -1 0 314.301 -0.383 20 0 DBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)C2CCCC2)CC1=O ZINC000754742988 804126194 /nfs/dbraw/zinc/12/61/94/804126194.db2.gz GZRZWAAHNCBCLI-JTQLQIEISA-N -1 0 318.395 -0.130 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)C2CCCC2)c(=O)n(C)c1=O ZINC000754748253 804126288 /nfs/dbraw/zinc/12/62/88/804126288.db2.gz YYACFSKHOXSZES-UHFFFAOYSA-N -1 0 315.351 -0.914 20 0 DBADRM C/C=C(/C)C(=O)N(C)C[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001281248913 804132855 /nfs/dbraw/zinc/13/28/55/804132855.db2.gz UKIFJFFTTGMBLF-NVDWLVSRSA-N -1 0 310.354 -0.061 20 0 DBADRM CN(C[C@H]1CCC[C@H]1O)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000755234279 804134486 /nfs/dbraw/zinc/13/44/86/804134486.db2.gz ZCLIXROASJFFQT-MWLCHTKSSA-N -1 0 305.338 -0.309 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000755754768 804139842 /nfs/dbraw/zinc/13/98/42/804139842.db2.gz AWKMAECXHAEHEV-MNOVXSKESA-N -1 0 306.384 -0.810 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000755885528 804143416 /nfs/dbraw/zinc/14/34/16/804143416.db2.gz HXDHBMXXHONKAI-UHFFFAOYSA-N -1 0 321.380 -0.639 20 0 DBADRM CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000756228817 804147447 /nfs/dbraw/zinc/14/74/47/804147447.db2.gz UYIQPSMOOORSII-UHFFFAOYSA-N -1 0 316.383 -0.126 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)C1CCOCC1 ZINC000756575142 804152394 /nfs/dbraw/zinc/15/23/94/804152394.db2.gz VBLIXKJTSPEEEY-JTQLQIEISA-N -1 0 308.400 -0.012 20 0 DBADRM C[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)C1CCOCC1 ZINC000756567849 804152460 /nfs/dbraw/zinc/15/24/60/804152460.db2.gz ONSVCNRHYFSHBV-JTQLQIEISA-N -1 0 306.384 -0.258 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCn1nc(C)cc1C ZINC000757321443 804161600 /nfs/dbraw/zinc/16/16/00/804161600.db2.gz BCIOXQWQWXXGFH-UHFFFAOYSA-N -1 0 318.399 -0.171 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCOC1CCOCC1 ZINC000757316944 804161757 /nfs/dbraw/zinc/16/17/57/804161757.db2.gz OVOQKNKCRXZIQH-UHFFFAOYSA-N -1 0 324.399 -0.489 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cc1csc(C)n1 ZINC000757331430 804161893 /nfs/dbraw/zinc/16/18/93/804161893.db2.gz KFMRVCPNRCVWIY-UHFFFAOYSA-N -1 0 307.397 -0.067 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CNC(=O)CCC(C)C ZINC000757331869 804162165 /nfs/dbraw/zinc/16/21/65/804162165.db2.gz OZGDYHMBIHUSAP-UHFFFAOYSA-N -1 0 323.415 -0.522 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C ZINC000757332736 804162299 /nfs/dbraw/zinc/16/22/99/804162299.db2.gz CCHBUACRSSAXBP-UHFFFAOYSA-N -1 0 323.415 -0.522 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1csc(COC)n1 ZINC000757328874 804162316 /nfs/dbraw/zinc/16/23/16/804162316.db2.gz FFUBSIJRGCUTFU-UHFFFAOYSA-N -1 0 323.396 -0.158 20 0 DBADRM CCc1c(C(=O)[N-]S(=O)(=O)N(C)CCOC)cnn1C ZINC000757334212 804162974 /nfs/dbraw/zinc/16/29/74/804162974.db2.gz XLABKSJTQQZUFX-UHFFFAOYSA-N -1 0 304.372 -0.465 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC000757341267 804163017 /nfs/dbraw/zinc/16/30/17/804163017.db2.gz UUWKNSOOIPGIFW-UHFFFAOYSA-N -1 0 317.367 -0.822 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCn1cc(Cl)cn1 ZINC000757336449 804163133 /nfs/dbraw/zinc/16/31/33/804163133.db2.gz UWSQTMJHOPPTSB-UHFFFAOYSA-N -1 0 324.790 -0.134 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C(C)=O)cn1C ZINC000757340389 804163219 /nfs/dbraw/zinc/16/32/19/804163219.db2.gz QDMSKIFJZTYODB-UHFFFAOYSA-N -1 0 317.367 -0.220 20 0 DBADRM CCc1ncncc1C(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000757336857 804163468 /nfs/dbraw/zinc/16/34/68/804163468.db2.gz WKDHBHGGVIVVOO-UHFFFAOYSA-N -1 0 302.356 -0.408 20 0 DBADRM COCC[C@@H]1CN(S(=O)(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CCO1 ZINC001465116956 804168939 /nfs/dbraw/zinc/16/89/39/804168939.db2.gz VVHQYWOBHCVHPK-OUAUKWLOSA-N -1 0 307.368 -0.083 20 0 DBADRM O=C([C@H]1CCCc2n[nH]cc21)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000758220612 804176137 /nfs/dbraw/zinc/17/61/37/804176137.db2.gz JIGCUIOSCJHCSJ-GZMMTYOYSA-N -1 0 303.326 -0.057 20 0 DBADRM O=C(NCc1ccc2c(c1)CCS2(=O)=O)c1cc(=O)[nH][n-]1 ZINC000758312352 804179489 /nfs/dbraw/zinc/17/94/89/804179489.db2.gz CNBOALNIDBHCCM-UHFFFAOYSA-N -1 0 307.331 -0.492 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000758352235 804180464 /nfs/dbraw/zinc/18/04/64/804180464.db2.gz IXGPWJKVPAQJPF-JTQLQIEISA-N -1 0 321.399 -0.816 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ncc(C)cn2)cn1 ZINC000758430561 804182041 /nfs/dbraw/zinc/18/20/41/804182041.db2.gz XVFHHJWFHCBKAA-UHFFFAOYSA-N -1 0 311.323 -0.045 20 0 DBADRM CN1CN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CC1=O ZINC000758499931 804188322 /nfs/dbraw/zinc/18/83/22/804188322.db2.gz QMWUIBKDFFTCFK-UHFFFAOYSA-N -1 0 318.358 -0.057 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnccn2)s1 ZINC000758560668 804190703 /nfs/dbraw/zinc/19/07/03/804190703.db2.gz JWCQNCWFKLRQFR-UHFFFAOYSA-N -1 0 312.332 -0.244 20 0 DBADRM C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758577546 804190715 /nfs/dbraw/zinc/19/07/15/804190715.db2.gz LBVSUBMPNMGSKF-ZJUUUORDSA-N -1 0 315.351 -0.134 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758580576 804190799 /nfs/dbraw/zinc/19/07/99/804190799.db2.gz YMRMGRSAUJQGGY-MRVPVSSYSA-N -1 0 324.318 -0.307 20 0 DBADRM CS(=O)(=O)N1CCc2c1cccc2NC(=O)c1cc(=O)[nH][n-]1 ZINC000758718512 804193119 /nfs/dbraw/zinc/19/31/19/804193119.db2.gz OQGMPLCZOQNIDD-UHFFFAOYSA-N -1 0 322.346 -0.177 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCc1ccncc1 ZINC000759435450 804203130 /nfs/dbraw/zinc/20/31/30/804203130.db2.gz FXGGJXWPBGZIAL-UHFFFAOYSA-N -1 0 301.368 -0.047 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CN(C)C(=O)C1CC1 ZINC000759350986 804203218 /nfs/dbraw/zinc/20/32/18/804203218.db2.gz FRPYFVYEBLMZKK-UHFFFAOYSA-N -1 0 320.367 -0.746 20 0 DBADRM CC[C@H](OC)C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759517583 804203835 /nfs/dbraw/zinc/20/38/35/804203835.db2.gz DCXAKAZJFNRTDO-LURJTMIESA-N -1 0 322.368 -0.274 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)C2CN(C(C)=O)C2)cn1 ZINC000759799925 804209514 /nfs/dbraw/zinc/20/95/14/804209514.db2.gz AYODDEFXVWQMLF-UHFFFAOYSA-N -1 0 313.335 -0.627 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000760120393 804220789 /nfs/dbraw/zinc/22/07/89/804220789.db2.gz SFLLRNIGGUGVDW-UHFFFAOYSA-N -1 0 319.339 -0.010 20 0 DBADRM COC(=O)c1coc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000760181661 804221852 /nfs/dbraw/zinc/22/18/52/804221852.db2.gz SMMOLDQOQQIREV-UHFFFAOYSA-N -1 0 313.291 -0.082 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)co1 ZINC000760274305 804223328 /nfs/dbraw/zinc/22/33/28/804223328.db2.gz IIMFNWSWCBVZFQ-MRVPVSSYSA-N -1 0 302.308 -0.383 20 0 DBADRM COC(=O)c1coc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000760218865 804223403 /nfs/dbraw/zinc/22/34/03/804223403.db2.gz RWGOEWGANVYBHN-UHFFFAOYSA-N -1 0 318.307 -0.627 20 0 DBADRM CN(CC(C)(CO)CO)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760473410 804224728 /nfs/dbraw/zinc/22/47/28/804224728.db2.gz UHLKPACGNKNCBU-UHFFFAOYSA-N -1 0 314.304 -0.107 20 0 DBADRM CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cc(=O)[nH][n-]1 ZINC000760779021 804228476 /nfs/dbraw/zinc/22/84/76/804228476.db2.gz SNOOIIYARFKMMX-GFCCVEGCSA-N -1 0 305.334 -0.102 20 0 DBADRM COC[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(N)=O ZINC000760886617 804229699 /nfs/dbraw/zinc/22/96/99/804229699.db2.gz BZCXHIGEEABTEW-VIFPVBQESA-N -1 0 322.346 -0.146 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCOC[C@@H]1C1CC1 ZINC000760991937 804230344 /nfs/dbraw/zinc/23/03/44/804230344.db2.gz CEGQPXKDMTVLPG-LLVKDONJSA-N -1 0 303.322 -0.291 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000761103283 804232988 /nfs/dbraw/zinc/23/29/88/804232988.db2.gz DBGCMCIJFGKZLD-UHFFFAOYSA-N -1 0 310.335 -0.350 20 0 DBADRM COCCC1(C(=O)[N-]S(=O)(=O)N2CCOCC2)CCC1 ZINC000761226580 804236994 /nfs/dbraw/zinc/23/69/94/804236994.db2.gz OFQCYBHQTYRAEX-UHFFFAOYSA-N -1 0 306.384 -0.114 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cc1 ZINC000762129366 804244430 /nfs/dbraw/zinc/24/44/30/804244430.db2.gz AZPBGSNUVSTLNA-SECBINFHSA-N -1 0 312.347 -0.118 20 0 DBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762130381 804244961 /nfs/dbraw/zinc/24/49/61/804244961.db2.gz GRTQLSJNRGBXMT-MNOVXSKESA-N -1 0 309.384 -0.090 20 0 DBADRM NC(=O)COc1cccc(NC(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000762211919 804245660 /nfs/dbraw/zinc/24/56/60/804245660.db2.gz BFBZINRZXHDGQA-UHFFFAOYSA-N -1 0 306.282 -0.304 20 0 DBADRM CC(C)OC[C@@H](CO)N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000762541895 804250823 /nfs/dbraw/zinc/25/08/23/804250823.db2.gz OXXHPBACYGSZLG-SNVBAGLBSA-N -1 0 323.353 -0.685 20 0 DBADRM CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000762974046 804258085 /nfs/dbraw/zinc/25/80/85/804258085.db2.gz TVYPCIUZUHVBJB-QMMMGPOBSA-N -1 0 315.351 -0.480 20 0 DBADRM COC(=O)[C@](C)(O)CNC(=O)c1n[n-]c2ccccc2c1=O ZINC000763230614 804264292 /nfs/dbraw/zinc/26/42/92/804264292.db2.gz GMEDIRZUVQNMQB-CQSZACIVSA-N -1 0 305.290 -0.011 20 0 DBADRM Cn1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 ZINC000763466752 804268903 /nfs/dbraw/zinc/26/89/03/804268903.db2.gz PQOLVRIVSIBEKY-UHFFFAOYSA-N -1 0 310.335 -0.419 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000763976803 804276524 /nfs/dbraw/zinc/27/65/24/804276524.db2.gz HKGGPSJLHAAUMX-DTWKUNHWSA-N -1 0 301.368 -0.005 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000763976514 804276657 /nfs/dbraw/zinc/27/66/57/804276657.db2.gz JLSGOPFSWGTSOU-NSHDSACASA-N -1 0 324.366 -0.655 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000764155674 804279076 /nfs/dbraw/zinc/27/90/76/804279076.db2.gz KFQNISYMQGOVRE-BDAKNGLRSA-N -1 0 301.368 -0.005 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000764155056 804279194 /nfs/dbraw/zinc/27/91/94/804279194.db2.gz XXTQGULRCZGXBW-SSDOTTSWSA-N -1 0 314.323 -0.471 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1(=O)=O ZINC000764152950 804279590 /nfs/dbraw/zinc/27/95/90/804279590.db2.gz ROEZLYIJBGPLNK-IUCAKERBSA-N -1 0 313.397 -0.565 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)on1 ZINC000764216892 804280065 /nfs/dbraw/zinc/28/00/65/804280065.db2.gz LEGUOZTYASJEBR-LURJTMIESA-N -1 0 306.296 -0.444 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC000764194419 804280110 /nfs/dbraw/zinc/28/01/10/804280110.db2.gz XUURVDAPJPBOAU-UTLUCORTSA-N -1 0 306.384 -0.241 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC000764206293 804280400 /nfs/dbraw/zinc/28/04/00/804280400.db2.gz GKSMZSWXXCRIKK-GXSJLCMTSA-N -1 0 306.384 -0.274 20 0 DBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)cn1 ZINC000764209024 804280665 /nfs/dbraw/zinc/28/06/65/804280665.db2.gz PODXMWIVAXZHEQ-QMMMGPOBSA-N -1 0 315.351 -0.464 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O ZINC000764174956 804280768 /nfs/dbraw/zinc/28/07/68/804280768.db2.gz VIXJQYMCJPWTIU-QMMMGPOBSA-N -1 0 301.386 -0.708 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000764184350 804280781 /nfs/dbraw/zinc/28/07/81/804280781.db2.gz ZLMRDZDUMXSYPY-DTWKUNHWSA-N -1 0 304.368 -0.522 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cs1 ZINC000764193121 804280798 /nfs/dbraw/zinc/28/07/98/804280798.db2.gz FWQMCAAKJKKYIQ-LURJTMIESA-N -1 0 306.365 -0.059 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC000764216989 804281530 /nfs/dbraw/zinc/28/15/30/804281530.db2.gz PEHXYGSORPHAIC-CABZTGNLSA-N -1 0 306.384 -0.274 20 0 DBADRM CCNS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000764341063 804281963 /nfs/dbraw/zinc/28/19/63/804281963.db2.gz BTQLADKUOZJAAX-UHFFFAOYSA-N -1 0 324.362 -0.523 20 0 DBADRM NC(=O)Cn1cc([N-]S(=O)(=O)c2cccc3nonc32)cn1 ZINC000765052487 804292589 /nfs/dbraw/zinc/29/25/89/804292589.db2.gz GAHPKTUHZSJYDJ-UHFFFAOYSA-N -1 0 322.306 -0.295 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](CO)C1CC1 ZINC000765114157 804294328 /nfs/dbraw/zinc/29/43/28/804294328.db2.gz CZYCQNBAVNJZGC-SSDOTTSWSA-N -1 0 306.365 -0.021 20 0 DBADRM CC(C)(O)[C@H]1CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000765195778 804295858 /nfs/dbraw/zinc/29/58/58/804295858.db2.gz SCEGVFOHUYUSRM-SNVBAGLBSA-N -1 0 305.338 -0.167 20 0 DBADRM COCc1cncc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000765609145 804304559 /nfs/dbraw/zinc/30/45/59/804304559.db2.gz AXOKPACHAWGZDS-UHFFFAOYSA-N -1 0 315.351 -0.465 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000765650030 804304673 /nfs/dbraw/zinc/30/46/73/804304673.db2.gz CZLTXXWSNKATOX-UHFFFAOYSA-N -1 0 322.306 -0.713 20 0 DBADRM Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)c2ccnn2C)cn1 ZINC000765652474 804304757 /nfs/dbraw/zinc/30/47/57/804304757.db2.gz NASSFSQQGKBRBO-UHFFFAOYSA-N -1 0 311.367 -0.064 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766644104 804318072 /nfs/dbraw/zinc/31/80/72/804318072.db2.gz UOMZIMAALHCTJU-SNVBAGLBSA-N -1 0 311.363 -0.104 20 0 DBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000766853493 804320230 /nfs/dbraw/zinc/32/02/30/804320230.db2.gz DDFIVFFCBVFCKX-UHFFFAOYSA-N -1 0 321.742 -0.168 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)CC(N)=O)sc2nccn12 ZINC000766914378 804320255 /nfs/dbraw/zinc/32/02/55/804320255.db2.gz AOVFONKZRAEUCT-UHFFFAOYSA-N -1 0 302.337 -0.751 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)COC/C=C\c1ccccc1 ZINC000766909191 804320378 /nfs/dbraw/zinc/32/03/78/804320378.db2.gz HOTZEMJVULNXJM-DAXSKMNVSA-N -1 0 312.347 -0.352 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCc1cccc(F)c1F ZINC000766909020 804320862 /nfs/dbraw/zinc/32/08/62/804320862.db2.gz GIDIWFOYRYLMNK-UHFFFAOYSA-N -1 0 306.290 -0.171 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CSc1ccc(F)c(F)c1 ZINC000766917459 804321359 /nfs/dbraw/zinc/32/13/59/804321359.db2.gz RIJZDFJTQDWZOO-UHFFFAOYSA-N -1 0 324.330 -0.012 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2S1 ZINC000766921400 804321773 /nfs/dbraw/zinc/32/17/73/804321773.db2.gz GJLAAHSLTNQFJG-SECBINFHSA-N -1 0 300.361 -0.365 20 0 DBADRM CC(C)Oc1cccc(CC(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766920558 804321878 /nfs/dbraw/zinc/32/18/78/804321878.db2.gz CFQKQRGZLRIJKA-UHFFFAOYSA-N -1 0 314.363 -0.052 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1coc(Br)c1 ZINC000766923868 804322591 /nfs/dbraw/zinc/32/25/91/804322591.db2.gz JARXQMVQRNESII-UHFFFAOYSA-N -1 0 311.113 -0.413 20 0 DBADRM COCCOc1cccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766923966 804322760 /nfs/dbraw/zinc/32/27/60/804322760.db2.gz SNIYMTIXNIDDTG-UHFFFAOYSA-N -1 0 316.335 -0.743 20 0 DBADRM Cc1cnn(-c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2)c1 ZINC000766924520 804322786 /nfs/dbraw/zinc/32/27/86/804322786.db2.gz VCGJYZGZBGCWTD-UHFFFAOYSA-N -1 0 322.346 -0.274 20 0 DBADRM CSc1ncc(Cl)c(C(=O)[N-]S(=O)(=O)CC(N)=O)n1 ZINC000766924831 804322796 /nfs/dbraw/zinc/32/27/96/804322796.db2.gz WKBUNQOUDXJWBO-UHFFFAOYSA-N -1 0 324.771 -0.603 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1coc(-c2ccccc2)n1 ZINC000766922406 804322814 /nfs/dbraw/zinc/32/28/14/804322814.db2.gz MJBWPCZLSTYCDT-UHFFFAOYSA-N -1 0 309.303 -0.114 20 0 DBADRM Cc1ccn(-c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2)n1 ZINC000766927892 804323076 /nfs/dbraw/zinc/32/30/76/804323076.db2.gz CQOPFHZUUPRBSR-UHFFFAOYSA-N -1 0 322.346 -0.274 20 0 DBADRM CCc1c(C(=O)[N-]S(=O)(=O)CC(N)=O)cnn1CC(C)C ZINC000766925622 804323424 /nfs/dbraw/zinc/32/34/24/804323424.db2.gz DVUOUGBBOGKONK-UHFFFAOYSA-N -1 0 316.383 -0.354 20 0 DBADRM CCc1ccc(OCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766926105 804323479 /nfs/dbraw/zinc/32/34/79/804323479.db2.gz GESUYXNCOIADMA-UHFFFAOYSA-N -1 0 300.336 -0.441 20 0 DBADRM COc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766925908 804323545 /nfs/dbraw/zinc/32/35/45/804323545.db2.gz UHLUNUVXOWSHMA-UHFFFAOYSA-N -1 0 306.727 -0.107 20 0 DBADRM CC(C)Oc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)ccn1 ZINC000766926935 804323582 /nfs/dbraw/zinc/32/35/82/804323582.db2.gz KNSFDCFZVAXDRO-UHFFFAOYSA-N -1 0 301.324 -0.586 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000766928604 804323866 /nfs/dbraw/zinc/32/38/66/804323866.db2.gz IEISVEFBZDFWKD-JGVFFNPUSA-N -1 0 318.301 0.000 20 0 DBADRM CCSc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)ccn1 ZINC000766929070 804323911 /nfs/dbraw/zinc/32/39/11/804323911.db2.gz KHZKFKIARZHUFK-UHFFFAOYSA-N -1 0 303.365 -0.262 20 0 DBADRM C[C@@H](Oc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766930142 804324165 /nfs/dbraw/zinc/32/41/65/804324165.db2.gz XIRQPHZKKAWHQS-SSDOTTSWSA-N -1 0 304.299 -0.476 20 0 DBADRM Cc1cc2ccccc2n1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766930171 804324324 /nfs/dbraw/zinc/32/43/24/804324324.db2.gz YCSZKAMMFFUMDT-UHFFFAOYSA-N -1 0 309.347 -0.119 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N(CCOC)CCC(=O)[O-] ZINC000766995148 804324770 /nfs/dbraw/zinc/32/47/70/804324770.db2.gz RZZKZMWMXOGKFI-UHFFFAOYSA-N -1 0 324.399 -0.392 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000766973849 804325327 /nfs/dbraw/zinc/32/53/27/804325327.db2.gz MCAMNZNCRBGTEP-JTQLQIEISA-N -1 0 318.395 -0.130 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CC(F)(F)CO ZINC000767294607 804328843 /nfs/dbraw/zinc/32/88/43/804328843.db2.gz SXLLJPNOSOJSOC-UHFFFAOYSA-N -1 0 313.282 -0.589 20 0 DBADRM O=C1NC2(CCCCC2)C(=O)N1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000767508223 804331562 /nfs/dbraw/zinc/33/15/62/804331562.db2.gz AVFSMTRQFFIBRX-UHFFFAOYSA-N -1 0 313.339 -0.142 20 0 DBADRM Cc1nc(C)c(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)s1 ZINC000767837762 804335200 /nfs/dbraw/zinc/33/52/00/804335200.db2.gz KSTADHWIFLBKNT-UHFFFAOYSA-N -1 0 304.353 -0.153 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)CCCn1cccn1 ZINC000768216030 804337448 /nfs/dbraw/zinc/33/74/48/804337448.db2.gz GUFHQMOWYKOTSK-UHFFFAOYSA-N -1 0 319.383 -0.228 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)CC1CCOCC1 ZINC000768213492 804337468 /nfs/dbraw/zinc/33/74/68/804337468.db2.gz SNQXSRLREYAPNA-UHFFFAOYSA-N -1 0 309.384 -0.088 20 0 DBADRM CCc1ncncc1C(=O)[N-]S(=O)(=O)CCOCCOC ZINC000768211190 804337981 /nfs/dbraw/zinc/33/79/81/804337981.db2.gz RHVSYYYPUXRWBR-UHFFFAOYSA-N -1 0 317.367 -0.238 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccccc1 ZINC000768782767 804342664 /nfs/dbraw/zinc/34/26/64/804342664.db2.gz QPNYVNBQZKKDRM-JTQLQIEISA-N -1 0 314.363 -0.103 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)O1 ZINC000769222498 804347812 /nfs/dbraw/zinc/34/78/12/804347812.db2.gz ZGEVHLSHUJFOCL-QMMMGPOBSA-N -1 0 307.310 -0.661 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CNC(=O)OCC(F)(F)F ZINC000769459887 804349062 /nfs/dbraw/zinc/34/90/62/804349062.db2.gz SIZZVELGBXVOQQ-UHFFFAOYSA-N -1 0 316.232 -0.166 20 0 DBADRM C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000769638303 804351117 /nfs/dbraw/zinc/35/11/17/804351117.db2.gz FOQRWWFWGOQTPI-ZCFIWIBFSA-N -1 0 313.314 -0.074 20 0 DBADRM O=C(NCc1nnn[n-]1)c1nccn2c(Br)cnc12 ZINC000769817413 804353459 /nfs/dbraw/zinc/35/34/59/804353459.db2.gz RBFQCWXMJNKHHH-UHFFFAOYSA-N -1 0 323.114 -0.065 20 0 DBADRM COCCOc1ncccc1C(=O)[N-]S(=O)(=O)CCOC ZINC000770128729 804358990 /nfs/dbraw/zinc/35/89/90/804358990.db2.gz NVXAVSOMHDFDAD-UHFFFAOYSA-N -1 0 318.351 -0.187 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)[N-]OCC(F)(F)F ZINC000770305596 804361860 /nfs/dbraw/zinc/36/18/60/804361860.db2.gz TYUFCMHRTYVGLV-UHFFFAOYSA-N -1 0 308.278 -0.448 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@@H]2CCNC(=O)CC2)c1[O-] ZINC001282974054 804364240 /nfs/dbraw/zinc/36/42/40/804364240.db2.gz KICCGZCTHCWWLO-VIFPVBQESA-N -1 0 323.353 -0.814 20 0 DBADRM COc1nc(C(=O)O[C@H](C)C(=O)N2CCNC2=O)cc(=O)[n-]1 ZINC000770515363 804365055 /nfs/dbraw/zinc/36/50/55/804365055.db2.gz BZOZEVWOWWXMHA-ZCFIWIBFSA-N -1 0 310.266 -0.712 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)c1cc(=O)[n-]c(OC)n1 ZINC000770516024 804365378 /nfs/dbraw/zinc/36/53/78/804365378.db2.gz RSXPTWLZEKUVDK-UHFFFAOYSA-N -1 0 305.312 -0.713 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)c1cc(=O)[n-]c(OC)n1 ZINC000770519988 804365730 /nfs/dbraw/zinc/36/57/30/804365730.db2.gz WGLUJHZRBVTADP-ZCFIWIBFSA-N -1 0 313.266 -0.975 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)COC)C(C)C ZINC000770617543 804367091 /nfs/dbraw/zinc/36/70/91/804367091.db2.gz LDICUXNAEBSLHI-NSHDSACASA-N -1 0 323.415 -0.524 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000770616897 804367524 /nfs/dbraw/zinc/36/75/24/804367524.db2.gz IXXNSTJIRYIWFZ-FGWVZKOKSA-N -1 0 318.395 -0.069 20 0 DBADRM COc1cnc(C(=O)NCCNC(=O)c2ncccc2O)nc1 ZINC001282981152 804368807 /nfs/dbraw/zinc/36/88/07/804368807.db2.gz GMDLFICJJCWIAP-UHFFFAOYSA-N -1 0 317.305 -0.254 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000770865815 804370716 /nfs/dbraw/zinc/37/07/16/804370716.db2.gz QGRZKFFQAIPHKT-UHFFFAOYSA-N -1 0 321.380 -0.589 20 0 DBADRM CC/C(C)=C\C(=O)NCCNC(=O)c1cnc([O-])n(C)c1=O ZINC001282998794 804377440 /nfs/dbraw/zinc/37/74/40/804377440.db2.gz IFXWSEVNKORZTH-CLFYSBASSA-N -1 0 308.338 -0.312 20 0 DBADRM O=C(NCc1nc(COc2ccccc2)n[nH]1)c1cc(=O)[nH][n-]1 ZINC000771745158 804379987 /nfs/dbraw/zinc/37/99/87/804379987.db2.gz MKFLWBKTLWFVLB-UHFFFAOYSA-N -1 0 314.305 -0.124 20 0 DBADRM Cc1nccn1CCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000771959969 804381675 /nfs/dbraw/zinc/38/16/75/804381675.db2.gz XKFBTBDDXFOBAL-UHFFFAOYSA-N -1 0 302.294 -0.180 20 0 DBADRM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[N-]OCC(N)=O ZINC000772938267 804394243 /nfs/dbraw/zinc/39/42/43/804394243.db2.gz FJMOXRDHENUZIL-ZDUSSCGKSA-N -1 0 318.333 -0.252 20 0 DBADRM CC(=O)[C@H]1CC(C(=O)[N-]OCC(N)=O)=NN1c1ccccc1 ZINC000772948509 804395188 /nfs/dbraw/zinc/39/51/88/804395188.db2.gz HCTNVDYAUSLNKD-GFCCVEGCSA-N -1 0 304.306 -0.257 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)C1(CCOC)CC1 ZINC000772997510 804395646 /nfs/dbraw/zinc/39/56/46/804395646.db2.gz JDEVLMLANHFHJM-UHFFFAOYSA-N -1 0 309.384 -0.088 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000773130452 804396213 /nfs/dbraw/zinc/39/62/13/804396213.db2.gz FVSHQRUSXHBBFZ-UHFFFAOYSA-N -1 0 320.353 -0.650 20 0 DBADRM Cn1ccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)cc1=O ZINC000773157858 804397403 /nfs/dbraw/zinc/39/74/03/804397403.db2.gz LVJFOEHOQUAYLZ-VIFPVBQESA-N -1 0 306.351 -0.171 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C1=O ZINC000773943549 804409197 /nfs/dbraw/zinc/40/91/97/804409197.db2.gz ZHVTXWGKVCXGHA-QMMMGPOBSA-N -1 0 301.324 -0.425 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)C1=O ZINC000774038638 804412453 /nfs/dbraw/zinc/41/24/53/804412453.db2.gz RQONOKDBSQGJKU-UWVGGRQHSA-N -1 0 304.368 -0.520 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)[C@H]1CCSC1 ZINC000774087492 804413016 /nfs/dbraw/zinc/41/30/16/804413016.db2.gz SKFCAWFLGDBHPD-VHSXEESVSA-N -1 0 308.425 -0.341 20 0 DBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c(=O)c1 ZINC000774093744 804413460 /nfs/dbraw/zinc/41/34/60/804413460.db2.gz FNLYLQKIXDQFQJ-SNVBAGLBSA-N -1 0 300.336 -0.608 20 0 DBADRM CCOc1nc(C(=O)[N-]S(=O)(=O)N2CCOCC2)co1 ZINC000774103504 804414986 /nfs/dbraw/zinc/41/49/86/804414986.db2.gz FPUJMDBMGVHVPC-UHFFFAOYSA-N -1 0 305.312 -0.620 20 0 DBADRM Cn1nccc1CCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000774106864 804415425 /nfs/dbraw/zinc/41/54/25/804415425.db2.gz UMSIKUPWOKWBLT-UHFFFAOYSA-N -1 0 302.356 -0.954 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)c1 ZINC000774247743 804419220 /nfs/dbraw/zinc/41/92/20/804419220.db2.gz XFHZWBVGHBWXLJ-VIFPVBQESA-N -1 0 314.367 -0.253 20 0 DBADRM CCn1nccc1C(=O)[N-]S(=O)(=O)CCOCCOC ZINC000774207074 804419258 /nfs/dbraw/zinc/41/92/58/804419258.db2.gz QIMXVVLNRDKBPQ-UHFFFAOYSA-N -1 0 305.356 -0.374 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)[N-]S(=O)(=O)C1CCC1 ZINC000774299508 804419964 /nfs/dbraw/zinc/41/99/64/804419964.db2.gz GSOYIWQORGBSOV-UHFFFAOYSA-N -1 0 304.368 -0.376 20 0 DBADRM O=C(NCCNC(=O)[C@H]1CC[C@@H](F)C1)c1n[nH]c(=O)[n-]c1=O ZINC001283127969 804423378 /nfs/dbraw/zinc/42/33/78/804423378.db2.gz USZOZOJKYDCXAL-NKWVEPMBSA-N -1 0 313.289 -0.733 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCOc1ccccc1OC ZINC000774816936 804431262 /nfs/dbraw/zinc/43/12/62/804431262.db2.gz OYTIJNMMOYXEEL-UHFFFAOYSA-N -1 0 312.322 -0.116 20 0 DBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)OCc1n[nH]c(=O)[n-]1 ZINC000774902462 804432660 /nfs/dbraw/zinc/43/26/60/804432660.db2.gz QOSOVGVPANAJSK-UHFFFAOYSA-N -1 0 320.261 -0.288 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)o1 ZINC000774917139 804434208 /nfs/dbraw/zinc/43/42/08/804434208.db2.gz CJUUMZPECAWHOQ-UHFFFAOYSA-N -1 0 302.268 -0.632 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000774943565 804434480 /nfs/dbraw/zinc/43/44/80/804434480.db2.gz KSXSFASUHOUCMN-UHFFFAOYSA-N -1 0 312.307 -0.556 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000774964835 804435641 /nfs/dbraw/zinc/43/56/41/804435641.db2.gz XLEXZIPPJMCSFP-UHFFFAOYSA-N -1 0 318.336 -0.163 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774961427 804435985 /nfs/dbraw/zinc/43/59/85/804435985.db2.gz RUUQVEYDISPQHE-SVRRBLITSA-N -1 0 300.315 -0.535 20 0 DBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000775017577 804437095 /nfs/dbraw/zinc/43/70/95/804437095.db2.gz DHMBCAXMRUDHCB-UHFFFAOYSA-N -1 0 313.303 -0.186 20 0 DBADRM CCOc1ccccc1S(=O)(=O)[N-]C(=O)CS(C)(=O)=O ZINC000775300858 804439453 /nfs/dbraw/zinc/43/94/53/804439453.db2.gz OPMZDMRGZSMCJU-UHFFFAOYSA-N -1 0 321.376 -0.065 20 0 DBADRM CC(C)[C@@H](O)C1(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000775900862 804447318 /nfs/dbraw/zinc/44/73/18/804447318.db2.gz XALVYBPDMJKMHZ-GFCCVEGCSA-N -1 0 319.365 -0.016 20 0 DBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000776067736 804447929 /nfs/dbraw/zinc/44/79/29/804447929.db2.gz UOTJPYLUUNEAOC-UHFFFAOYSA-N -1 0 319.383 -0.105 20 0 DBADRM Cn1cc(C(=O)[N-]N2CC(=O)N(C)C2=O)c(C(F)(F)F)n1 ZINC000776241707 804451589 /nfs/dbraw/zinc/45/15/89/804451589.db2.gz BFXFARPEGQAZJS-UHFFFAOYSA-N -1 0 305.216 -0.022 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H]1OC ZINC000776228901 804451812 /nfs/dbraw/zinc/45/18/12/804451812.db2.gz SXDJVEAHYGLRTA-CKYFFXLPSA-N -1 0 321.337 -0.620 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1C ZINC000776307895 804454547 /nfs/dbraw/zinc/45/45/47/804454547.db2.gz YCQJMJFUOYKNII-APPZFPTMSA-N -1 0 317.367 -0.014 20 0 DBADRM O=C(CCC1CC1)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001283210629 804454615 /nfs/dbraw/zinc/45/46/15/804454615.db2.gz TXEVKYRBDPAJFN-UHFFFAOYSA-N -1 0 309.326 -0.291 20 0 DBADRM O=C(NCCCNC(=O)C1CC=CC1)c1n[nH]c(=O)[n-]c1=O ZINC001283211625 804454628 /nfs/dbraw/zinc/45/46/28/804454628.db2.gz LQTHRFRPXDAGER-UHFFFAOYSA-N -1 0 307.310 -0.515 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC000776504333 804456905 /nfs/dbraw/zinc/45/69/05/804456905.db2.gz SLPZWZFZXUMBCS-VIFPVBQESA-N -1 0 317.367 -0.013 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCOCC2)c1 ZINC000776526271 804457245 /nfs/dbraw/zinc/45/72/45/804457245.db2.gz NZRFYAAFHUDBHO-SNVBAGLBSA-N -1 0 303.340 -0.422 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000776493801 804457252 /nfs/dbraw/zinc/45/72/52/804457252.db2.gz WDDGJILYCUTAAC-LURJTMIESA-N -1 0 319.726 -0.289 20 0 DBADRM Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)[N-]OCCO ZINC000776583931 804459194 /nfs/dbraw/zinc/45/91/94/804459194.db2.gz HMKGFQNSDOWPBM-LBPRGKRZSA-N -1 0 309.301 -0.055 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)NCC[C@H](C)C(=O)[O-])cn1 ZINC000776589452 804459762 /nfs/dbraw/zinc/45/97/62/804459762.db2.gz LYSYMEVCKOIVGW-QMMMGPOBSA-N -1 0 319.339 -0.555 20 0 DBADRM C[C@H](CCNS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776590488 804459989 /nfs/dbraw/zinc/45/99/89/804459989.db2.gz UDGKJMQXPXLCPO-SNVBAGLBSA-N -1 0 322.383 -0.230 20 0 DBADRM O=C([O-])[C@H](CC1CCOCC1)NS(=O)(=O)N1CCOCC1 ZINC000776600014 804460608 /nfs/dbraw/zinc/46/06/08/804460608.db2.gz DJOHECDHYUHDGQ-NSHDSACASA-N -1 0 322.383 -0.577 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000776627933 804460786 /nfs/dbraw/zinc/46/07/86/804460786.db2.gz YJTCBBKLJKTCRF-ZCFIWIBFSA-N -1 0 311.747 -0.240 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)[C@H]1CCOC1)[C@@H](O)c1ccccc1 ZINC000776599859 804460876 /nfs/dbraw/zinc/46/08/76/804460876.db2.gz RBSWKJLKEVCIJI-TUAOUCFPSA-N -1 0 315.347 -0.119 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000776689712 804461533 /nfs/dbraw/zinc/46/15/33/804461533.db2.gz FAVQKDSUOLROSQ-NSHDSACASA-N -1 0 322.383 -0.483 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C1CCOCC1 ZINC000776699274 804461934 /nfs/dbraw/zinc/46/19/34/804461934.db2.gz DRRPQKOLOUWUGM-JTQLQIEISA-N -1 0 310.372 -0.627 20 0 DBADRM COc1cc(S(=O)(=O)N(CCO)CC(=O)[O-])cnc1Cl ZINC000776684358 804461941 /nfs/dbraw/zinc/46/19/41/804461941.db2.gz WFVHSMZBVYAPCK-UHFFFAOYSA-N -1 0 324.742 -0.189 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc2nonc21 ZINC000776700838 804462031 /nfs/dbraw/zinc/46/20/31/804462031.db2.gz MQKVWDCAHPTEKE-MRVPVSSYSA-N -1 0 315.307 -0.057 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000776681304 804462058 /nfs/dbraw/zinc/46/20/58/804462058.db2.gz QFQYLHKBTYGJNH-RITPCOANSA-N -1 0 309.731 -0.718 20 0 DBADRM O=C([O-])CCN(CCO)S(=O)(=O)c1cccc2nonc21 ZINC000776680945 804462100 /nfs/dbraw/zinc/46/21/00/804462100.db2.gz RVIAOHKLXCBWKC-UHFFFAOYSA-N -1 0 315.307 -0.320 20 0 DBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000776700963 804462183 /nfs/dbraw/zinc/46/21/83/804462183.db2.gz NZQADVWCJJYFNO-VIFPVBQESA-N -1 0 315.351 -0.307 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(S(=O)(=O)[C@H]1CCOC1)CC2 ZINC000776717861 804462888 /nfs/dbraw/zinc/46/28/88/804462888.db2.gz XTTGLYNFIDMFQW-VIFPVBQESA-N -1 0 318.351 -0.199 20 0 DBADRM COC(=O)C1(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000777074517 804467028 /nfs/dbraw/zinc/46/70/28/804467028.db2.gz VHMUVGSUFBVHMF-UHFFFAOYSA-N -1 0 305.294 -0.859 20 0 DBADRM COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)[N-]OCC(N)=O ZINC000777824206 804476211 /nfs/dbraw/zinc/47/62/11/804476211.db2.gz ZBSLDWDYNYGBOZ-UHFFFAOYSA-N -1 0 311.294 -0.612 20 0 DBADRM CC(C)[C@@H](C(=O)[N-]OCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000777824188 804476389 /nfs/dbraw/zinc/47/63/89/804476389.db2.gz XZRCDGRYBRKBAC-LBPRGKRZSA-N -1 0 319.317 -0.160 20 0 DBADRM NS(=O)(=O)c1cnn(CC(=O)[N-]OC2CCCCC2)c1 ZINC000777962707 804477339 /nfs/dbraw/zinc/47/73/39/804477339.db2.gz XDSXZSJUAKIYSC-UHFFFAOYSA-N -1 0 302.356 -0.089 20 0 DBADRM NC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)[nH]n1 ZINC000778084525 804479151 /nfs/dbraw/zinc/47/91/51/804479151.db2.gz FFOBZIRUUKOZNT-UHFFFAOYSA-N -1 0 322.302 -0.020 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)COC(C)(C)C)cc1C(N)=O ZINC000778296330 804481512 /nfs/dbraw/zinc/48/15/12/804481512.db2.gz XVAKBNXTHLUPIO-UHFFFAOYSA-N -1 0 317.367 -0.256 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1cc2c(cn1)nc[nH]c2=O ZINC000778615034 804485519 /nfs/dbraw/zinc/48/55/19/804485519.db2.gz GFQBNMJPBKNEBP-UHFFFAOYSA-N -1 0 323.334 -0.199 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cn1 ZINC000778696142 804487727 /nfs/dbraw/zinc/48/77/27/804487727.db2.gz DWIVTQDEHRMHDG-SECBINFHSA-N -1 0 315.351 -0.029 20 0 DBADRM COCc1cccc(CC(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000778726077 804488032 /nfs/dbraw/zinc/48/80/32/804488032.db2.gz ZBQAQKUDPOKWST-UHFFFAOYSA-N -1 0 300.336 -0.693 20 0 DBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000778920262 804491242 /nfs/dbraw/zinc/49/12/42/804491242.db2.gz RVHLNHICKRIFGM-UHFFFAOYSA-N -1 0 324.309 -0.569 20 0 DBADRM CN(CCOCCNC(=O)c1cocn1)Cc1n[nH]c(=O)[n-]1 ZINC001283359245 804491816 /nfs/dbraw/zinc/49/18/16/804491816.db2.gz IAZPLZRFWWWHAP-UHFFFAOYSA-N -1 0 310.314 -0.623 20 0 DBADRM Cc1ncc(C(=O)NCCOCCN(C)Cc2n[nH]c(=O)[n-]2)[nH]1 ZINC001283360102 804492158 /nfs/dbraw/zinc/49/21/58/804492158.db2.gz QKLXLVHUMWBIFX-UHFFFAOYSA-N -1 0 323.357 -0.580 20 0 DBADRM O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)c2cc(=O)[nH][n-]2)C1 ZINC000779462820 804497978 /nfs/dbraw/zinc/49/79/78/804497978.db2.gz WYYXOXBMGMKJCK-LURJTMIESA-N -1 0 306.244 -0.611 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)[N-]N2CCCNC2=O)c(C)o1 ZINC000779443926 804498291 /nfs/dbraw/zinc/49/82/91/804498291.db2.gz MYSADQZCVUZNPM-UHFFFAOYSA-N -1 0 316.339 -0.444 20 0 DBADRM COc1ccc(-n2cc([O-])c(C(=O)NCCNC(N)=O)n2)cc1 ZINC000779518241 804499315 /nfs/dbraw/zinc/49/93/15/804499315.db2.gz KMGZBEDFNABPRR-UHFFFAOYSA-N -1 0 319.321 -0.015 20 0 DBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)N2CCCC2)cn1 ZINC000780324993 804513635 /nfs/dbraw/zinc/51/36/35/804513635.db2.gz WBDWSGMXWVEVQR-UHFFFAOYSA-N -1 0 314.323 -0.666 20 0 DBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)c2cnccn2)cn1 ZINC000780433033 804514653 /nfs/dbraw/zinc/51/46/53/804514653.db2.gz SLTAKJVQDAQDEE-UHFFFAOYSA-N -1 0 323.290 -0.828 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)NCCOC[C@H]1CCOC1 ZINC000780567227 804515844 /nfs/dbraw/zinc/51/58/44/804515844.db2.gz BYDIKQJHPWVGAX-WDEREUQCSA-N -1 0 302.327 -0.466 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)N1CCOC[C@H]1C(=O)[O-])CC2 ZINC000780528915 804516702 /nfs/dbraw/zinc/51/67/02/804516702.db2.gz MAWAQMNPHBIHDC-UWVGGRQHSA-N -1 0 309.326 -0.604 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)CC1 ZINC000780621544 804517317 /nfs/dbraw/zinc/51/73/17/804517317.db2.gz VNLVIMHPKBYTRE-VIFPVBQESA-N -1 0 305.352 -0.045 20 0 DBADRM C[C@H](NC(=O)NCCS(=O)(=O)NCC1CCC1)C(=O)[O-] ZINC000780572499 804517773 /nfs/dbraw/zinc/51/77/73/804517773.db2.gz ZKURPPDZDFOYKJ-QMMMGPOBSA-N -1 0 307.372 -0.522 20 0 DBADRM CC[C@@H](NC(=O)N[C@@H]1CCc2nc(COC)nn2C1)C(=O)[O-] ZINC000780655026 804519072 /nfs/dbraw/zinc/51/90/72/804519072.db2.gz HARSKDZWMHSXDR-RKDXNWHRSA-N -1 0 311.342 -0.098 20 0 DBADRM CC[C@@H](NC(=O)N[C@H]1CCc2nc(COC)nn2C1)C(=O)[O-] ZINC000780655022 804519190 /nfs/dbraw/zinc/51/91/90/804519190.db2.gz HARSKDZWMHSXDR-DTWKUNHWSA-N -1 0 311.342 -0.098 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC(F)(F)C[C@@H]1CO ZINC000781328794 804527867 /nfs/dbraw/zinc/52/78/67/804527867.db2.gz BUGFXEJIZYSLGM-SSDOTTSWSA-N -1 0 313.264 -0.700 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)on1 ZINC000781471993 804528498 /nfs/dbraw/zinc/52/84/98/804528498.db2.gz UGACMZLKAGXSIF-SSDOTTSWSA-N -1 0 318.307 -0.300 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccc2nncn2c1 ZINC000781498316 804529566 /nfs/dbraw/zinc/52/95/66/804529566.db2.gz BEPIJFHQBCZSOE-JTQLQIEISA-N -1 0 310.335 -0.032 20 0 DBADRM CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781503794 804529581 /nfs/dbraw/zinc/52/95/81/804529581.db2.gz KBPGAQQHXZJJER-VIFPVBQESA-N -1 0 313.397 -0.564 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781503482 804529602 /nfs/dbraw/zinc/52/96/02/804529602.db2.gz KJCQGQIAQCVYQS-VIFPVBQESA-N -1 0 318.351 -0.850 20 0 DBADRM COc1ncc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)cn1 ZINC000781496802 804530085 /nfs/dbraw/zinc/53/00/85/804530085.db2.gz HFJPFZRJIQDMOQ-VIFPVBQESA-N -1 0 301.324 -0.276 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)nn1 ZINC000781519974 804531289 /nfs/dbraw/zinc/53/12/89/804531289.db2.gz ZXGIXYUTNYJERY-VIFPVBQESA-N -1 0 302.356 -0.073 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc(NC(N)=O)cc1 ZINC000781737672 804534360 /nfs/dbraw/zinc/53/43/60/804534360.db2.gz NZXGUGXRMLFKLU-UHFFFAOYSA-N -1 0 324.322 -0.576 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCO2 ZINC000781729530 804534374 /nfs/dbraw/zinc/53/43/74/804534374.db2.gz POHNEWXYRSXSRE-UHFFFAOYSA-N -1 0 308.319 -0.131 20 0 DBADRM COC1(C(=O)[N-]S(=O)(=O)c2cnnn2C)CCCCC1 ZINC000781737370 804534533 /nfs/dbraw/zinc/53/45/33/804534533.db2.gz HGVSFWVAJWOETJ-UHFFFAOYSA-N -1 0 302.356 -0.031 20 0 DBADRM C[C@@H]1CC[C@@H](CCC(=O)[N-]S(=O)(=O)c2cnnn2C)O1 ZINC000781736536 804534653 /nfs/dbraw/zinc/53/46/53/804534653.db2.gz XUAYCLWTSBTDGC-BDAKNGLRSA-N -1 0 302.356 -0.032 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)N(C)CCOC)cn1 ZINC000781824141 804535494 /nfs/dbraw/zinc/53/54/94/804535494.db2.gz BGLHULGYJSBSIM-UHFFFAOYSA-N -1 0 304.372 -0.154 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001283614224 804539898 /nfs/dbraw/zinc/53/98/98/804539898.db2.gz ZSOBYSJZJWEKQS-RKDXNWHRSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1cc(C(=O)NCCn2ccnn2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000782491062 804546683 /nfs/dbraw/zinc/54/66/83/804546683.db2.gz PUCJMQPGEINQEF-UHFFFAOYSA-N -1 0 315.293 -0.234 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C)COC2)cc1C(N)=O ZINC000782600292 804550567 /nfs/dbraw/zinc/55/05/67/804550567.db2.gz VANQQXORNKAGPV-UHFFFAOYSA-N -1 0 312.347 -0.065 20 0 DBADRM CC1(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)COC1 ZINC000782599845 804550772 /nfs/dbraw/zinc/55/07/72/804550772.db2.gz RQBYWXLTVAWAEG-UHFFFAOYSA-N -1 0 304.349 -0.312 20 0 DBADRM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000782880869 804556934 /nfs/dbraw/zinc/55/69/34/804556934.db2.gz VAGLVXZBWKERGT-UHFFFAOYSA-N -1 0 324.362 -0.571 20 0 DBADRM CCN(CCCNC(=O)CCCn1c(=O)[n-][nH]c1=O)C(C)=O ZINC001283731226 804559465 /nfs/dbraw/zinc/55/94/65/804559465.db2.gz KRJLQHVCJUTGPP-UHFFFAOYSA-N -1 0 313.358 -0.156 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cnc3n[nH]nc3c2)cn1 ZINC000783109129 804562452 /nfs/dbraw/zinc/56/24/52/804562452.db2.gz CKLBXAIUAJFXSN-UHFFFAOYSA-N -1 0 321.322 -0.312 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000783404074 804566082 /nfs/dbraw/zinc/56/60/82/804566082.db2.gz HJPKCNJVKGIJEK-NXEZZACHSA-N -1 0 306.384 -0.069 20 0 DBADRM Cc1nonc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000783597502 804566767 /nfs/dbraw/zinc/56/67/67/804566767.db2.gz MEAMQSUYAVYXKC-UHFFFAOYSA-N -1 0 318.336 -0.174 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCC(=O)c1nccs1 ZINC000783555839 804567353 /nfs/dbraw/zinc/56/73/53/804567353.db2.gz WCPMEKDACCMTSS-UHFFFAOYSA-N -1 0 319.302 -0.046 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)CO1 ZINC000784484738 804580512 /nfs/dbraw/zinc/58/05/12/804580512.db2.gz PSCBIEQIGUHXPK-SFYZADRCSA-N -1 0 315.351 -0.646 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)COC)n1 ZINC000784513437 804581472 /nfs/dbraw/zinc/58/14/72/804581472.db2.gz WUCGFWKIJXOBGR-VIFPVBQESA-N -1 0 305.356 -0.376 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)n1 ZINC000784498955 804581884 /nfs/dbraw/zinc/58/18/84/804581884.db2.gz NBOVQUMIJOGXQH-UHFFFAOYSA-N -1 0 302.356 -0.400 20 0 DBADRM CC[C@]1(CO)CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000784726299 804585603 /nfs/dbraw/zinc/58/56/03/804585603.db2.gz GJWFTZWDUNZBLY-CQSZACIVSA-N -1 0 305.338 -0.165 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]N2CCCNC2=O)c(C)o1 ZINC000784723210 804585696 /nfs/dbraw/zinc/58/56/96/804585696.db2.gz CGPLOVNZXCOYGZ-UHFFFAOYSA-N -1 0 317.323 -0.017 20 0 DBADRM Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)c2cnccn2)cn1 ZINC000784891343 804589253 /nfs/dbraw/zinc/58/92/53/804589253.db2.gz VGPCBOAYONXLGK-UHFFFAOYSA-N -1 0 309.351 -0.007 20 0 DBADRM Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785384315 804597609 /nfs/dbraw/zinc/59/76/09/804597609.db2.gz IOOJMJVGWGBTOJ-UHFFFAOYSA-N -1 0 311.342 -0.520 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccccc1Br ZINC000785383402 804597819 /nfs/dbraw/zinc/59/78/19/804597819.db2.gz FRKBVWAPGATVSQ-UHFFFAOYSA-N -1 0 316.111 -0.079 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)[N-]OCC(N)=O)ccc1C ZINC000785383330 804597825 /nfs/dbraw/zinc/59/78/25/804597825.db2.gz DFDFJTMLYZEJTR-UHFFFAOYSA-N -1 0 309.278 -0.747 20 0 DBADRM Cc1ccnn1-c1ccccc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785390139 804598084 /nfs/dbraw/zinc/59/80/84/804598084.db2.gz YJSPKOSAEFNMFI-UHFFFAOYSA-N -1 0 317.305 -0.348 20 0 DBADRM Cc1ccn(-c2ccccc2NC(=O)C(=O)[N-]OCC(N)=O)n1 ZINC000785391134 804598839 /nfs/dbraw/zinc/59/88/39/804598839.db2.gz ZVONDEWRZYKPGR-UHFFFAOYSA-N -1 0 317.305 -0.348 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1ccc(NC(C)=O)cc1 ZINC000786229207 804613107 /nfs/dbraw/zinc/61/31/07/804613107.db2.gz FGVVVPQIVUFHGA-UHFFFAOYSA-N -1 0 309.322 -0.045 20 0 DBADRM Cc1nc(CC(=O)[N-]S(=O)(=O)N2CCOCC2)c(C)s1 ZINC000786428000 804615284 /nfs/dbraw/zinc/61/52/84/804615284.db2.gz KTXJOVIVSDYKBS-UHFFFAOYSA-N -1 0 319.408 -0.004 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCc2nc(C)ncc2C1 ZINC000786673306 804620084 /nfs/dbraw/zinc/62/00/84/804620084.db2.gz JSTPCBXTPJWRTQ-GFCCVEGCSA-N -1 0 322.365 -0.157 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000786945828 804625398 /nfs/dbraw/zinc/62/53/98/804625398.db2.gz NYDSWZHPZVEEMV-ZJUUUORDSA-N -1 0 305.400 -0.021 20 0 DBADRM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)[N-]OCCO)C2=O ZINC000787291940 804632217 /nfs/dbraw/zinc/63/22/17/804632217.db2.gz CZQOQLXNOYVWSA-WDAIWFPHSA-N -1 0 313.354 -0.227 20 0 DBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)[N-]OCCO ZINC000787295474 804632404 /nfs/dbraw/zinc/63/24/04/804632404.db2.gz HMUSLNGPZMDYLT-MRVPVSSYSA-N -1 0 300.402 -0.913 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCN1CCc2ccccc2C1 ZINC000787621760 804636361 /nfs/dbraw/zinc/63/63/61/804636361.db2.gz ICFVSKHFRMPRCY-UHFFFAOYSA-N -1 0 321.377 -0.145 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H](C)CN1CCOCC1 ZINC000787755763 804640163 /nfs/dbraw/zinc/64/01/63/804640163.db2.gz JCWPVNNZMPDTJO-SNVBAGLBSA-N -1 0 305.400 -0.766 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1cccc(C(N)=O)c1 ZINC000787853938 804643529 /nfs/dbraw/zinc/64/35/29/804643529.db2.gz BQMBRBUESPKDCM-UHFFFAOYSA-N -1 0 309.322 -0.514 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])o1 ZINC000787935040 804647058 /nfs/dbraw/zinc/64/70/58/804647058.db2.gz KTULMUTXWRUGDA-ZETCQYMHSA-N -1 0 319.291 -0.223 20 0 DBADRM NC(=O)c1ccc(CC(=O)[N-]S(=O)(=O)N2CCCC2)cc1 ZINC000788080614 804649479 /nfs/dbraw/zinc/64/94/79/804649479.db2.gz FXGIMJGEZHUBMG-UHFFFAOYSA-N -1 0 311.363 -0.215 20 0 DBADRM O=C(NCCc1n[n-]c(=S)o1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000788147607 804651902 /nfs/dbraw/zinc/65/19/02/804651902.db2.gz JHBJMCISYQPXIY-ZETCQYMHSA-N -1 0 322.350 -0.207 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]OC[C@@H]1CCOC1 ZINC000788273009 804654915 /nfs/dbraw/zinc/65/49/15/804654915.db2.gz HOSUHCKBRGKRDM-GHMZBOCLSA-N -1 0 306.384 -0.115 20 0 DBADRM CC(C)[C@@H](C(=O)[N-]OCC(C)(C)O)N1CCCS1(=O)=O ZINC000788222718 804655414 /nfs/dbraw/zinc/65/54/14/804655414.db2.gz JPZDZCWCKMDJME-JTQLQIEISA-N -1 0 308.400 -0.135 20 0 DBADRM O=C([O-])/C=C/CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000788447564 804661879 /nfs/dbraw/zinc/66/18/79/804661879.db2.gz OAUZBRRDERHEIC-OWOJBTEDSA-N -1 0 310.331 -0.108 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)[N-]N1CCCNC1=O ZINC000788911386 804667598 /nfs/dbraw/zinc/66/75/98/804667598.db2.gz BERPMKSLICMCEZ-UHFFFAOYSA-N -1 0 320.352 -0.462 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)c2ccccc21 ZINC000789426913 804673647 /nfs/dbraw/zinc/67/36/47/804673647.db2.gz CDDDJLRMHWTIMB-JTQLQIEISA-N -1 0 320.330 -0.010 20 0 DBADRM CC1(C)Cc2cccc(NC(=O)C(=O)[N-]OCC(N)=O)c2O1 ZINC000789598012 804675084 /nfs/dbraw/zinc/67/50/84/804675084.db2.gz VQQOIRNWJYXWHM-UHFFFAOYSA-N -1 0 307.306 -0.128 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000789790690 804675937 /nfs/dbraw/zinc/67/59/37/804675937.db2.gz IVKDCUDNXLAOHB-SNVBAGLBSA-N -1 0 321.314 -0.004 20 0 DBADRM CC1(c2cc(NC(=O)C(=O)[N-]OCC(N)=O)no2)CCCC1 ZINC000789775258 804676248 /nfs/dbraw/zinc/67/62/48/804676248.db2.gz JFSNWTXYPKLHDW-UHFFFAOYSA-N -1 0 310.310 -0.022 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccn(C)n1 ZINC000789776845 804676297 /nfs/dbraw/zinc/67/62/97/804676297.db2.gz LEWJBBDCDIKQSJ-BDAKNGLRSA-N -1 0 317.367 -0.394 20 0 DBADRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000789794377 804676471 /nfs/dbraw/zinc/67/64/71/804676471.db2.gz VTMYZJIJEAGRQE-UHFFFAOYSA-N -1 0 302.356 -0.089 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000789823759 804677460 /nfs/dbraw/zinc/67/74/60/804677460.db2.gz ADQARWVKBDUSOD-UHFFFAOYSA-N -1 0 321.289 -0.455 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000789827550 804677540 /nfs/dbraw/zinc/67/75/40/804677540.db2.gz VNAOXEBPDKHIKM-UHFFFAOYSA-N -1 0 305.294 -0.100 20 0 DBADRM O=C([N-]N1CC(=O)NC1=O)c1cnnn1-c1cccc(F)c1 ZINC000789898828 804678567 /nfs/dbraw/zinc/67/85/67/804678567.db2.gz IMSLUEUFMFABML-UHFFFAOYSA-N -1 0 304.241 -0.397 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cnn(-c2ccccc2)n1 ZINC000790080475 804683956 /nfs/dbraw/zinc/68/39/56/804683956.db2.gz YOLMZAMTQKEDFB-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000790076647 804684077 /nfs/dbraw/zinc/68/40/77/804684077.db2.gz JPRSUABHVYIYRP-ZCFIWIBFSA-N -1 0 322.243 -0.425 20 0 DBADRM Cc1cc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)c(C)o1 ZINC000790796720 804695890 /nfs/dbraw/zinc/69/58/90/804695890.db2.gz UBLAKZQWLSICBL-UHFFFAOYSA-N -1 0 316.335 -0.440 20 0 DBADRM CSc1c(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cnn1C ZINC000791764567 804707834 /nfs/dbraw/zinc/70/78/34/804707834.db2.gz GCZFGEBWCUZMRP-UHFFFAOYSA-N -1 0 315.380 -0.006 20 0 DBADRM CSc1c(C(=O)[N-]S(=O)(=O)N2CCOCC2)cnn1C ZINC000791820537 804709142 /nfs/dbraw/zinc/70/91/42/804709142.db2.gz MLTBGTYVDITHNP-UHFFFAOYSA-N -1 0 320.396 -0.551 20 0 DBADRM CCCOc1nc(C)ccc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000791872901 804710327 /nfs/dbraw/zinc/71/03/27/804710327.db2.gz CUKBGVKFKILLCI-UHFFFAOYSA-N -1 0 315.351 -0.276 20 0 DBADRM C/C(=C\C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001284501738 804722710 /nfs/dbraw/zinc/72/27/10/804722710.db2.gz RSDHLFDWYIVYQQ-BQYQJAHWSA-N -1 0 321.337 -0.173 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cnn(C)n2)cc1C(N)=O ZINC000793141326 804724865 /nfs/dbraw/zinc/72/48/65/804724865.db2.gz GFPWOEZABXIWTG-UHFFFAOYSA-N -1 0 323.334 -0.659 20 0 DBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)n1 ZINC000793178252 804725571 /nfs/dbraw/zinc/72/55/71/804725571.db2.gz MHHGZPUXPNYULM-UHFFFAOYSA-N -1 0 301.715 -0.018 20 0 DBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)c2ccnc(Cl)c2)n1 ZINC000793193063 804725821 /nfs/dbraw/zinc/72/58/21/804725821.db2.gz YQVLXPSQZWYHQL-UHFFFAOYSA-N -1 0 301.715 -0.018 20 0 DBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000793189987 804726140 /nfs/dbraw/zinc/72/61/40/804726140.db2.gz HQRCYVUPWBGYMD-LLVKDONJSA-N -1 0 317.367 -0.438 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)n1 ZINC000793219993 804727282 /nfs/dbraw/zinc/72/72/82/804727282.db2.gz BMHMXZDVNZMXHH-BQBZGAKWSA-N -1 0 304.328 -0.928 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)Cc1cc(F)c(F)cc1F ZINC000793196880 804727333 /nfs/dbraw/zinc/72/73/33/804727333.db2.gz NCYMBYGGUQFEEB-UHFFFAOYSA-N -1 0 310.253 -0.422 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CC1OCCCO1 ZINC000793225167 804727525 /nfs/dbraw/zinc/72/75/25/804727525.db2.gz WQBANPKHQKECBI-IUCAKERBSA-N -1 0 323.367 -0.217 20 0 DBADRM COC(=O)c1n[nH]cc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000793871552 804738167 /nfs/dbraw/zinc/73/81/67/804738167.db2.gz WPYKJYUKAODIKK-UHFFFAOYSA-N -1 0 317.265 -0.780 20 0 DBADRM CN(CCNC(=O)c1n[n-]c2ccccc2c1=O)C(=O)C(N)=O ZINC001284593040 804744657 /nfs/dbraw/zinc/74/46/57/804744657.db2.gz JSHLVWYLDXJILI-UHFFFAOYSA-N -1 0 317.305 -0.991 20 0 DBADRM Cc1c(C(=O)NCc2n[nH]c(=O)[n-]2)nnn1-c1ccn(C)n1 ZINC001324528989 806983114 /nfs/dbraw/zinc/98/31/14/806983114.db2.gz PDDVMCTZXOMWRP-UHFFFAOYSA-N -1 0 303.286 -0.937 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)no1 ZINC000794768524 804751350 /nfs/dbraw/zinc/75/13/50/804751350.db2.gz OIAIORBSWOCUQS-LKFCYVNXSA-N -1 0 323.305 -0.129 20 0 DBADRM CC(C)=CC(=O)NC[C@@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001284658796 804755073 /nfs/dbraw/zinc/75/50/73/804755073.db2.gz IVKWLHNHDUGBQL-VIFPVBQESA-N -1 0 321.337 -0.030 20 0 DBADRM NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000795355183 804758632 /nfs/dbraw/zinc/75/86/32/804758632.db2.gz ZRKCMRSAVHPXPF-UHFFFAOYSA-N -1 0 310.339 -0.084 20 0 DBADRM CC(=O)NCCCN(C(=O)c1cnc([O-])n(C)c1=O)C(C)C ZINC001284763291 804768798 /nfs/dbraw/zinc/76/87/98/804768798.db2.gz FGAFCZNCZNJTLP-UHFFFAOYSA-N -1 0 310.354 -0.137 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC000796614068 804772482 /nfs/dbraw/zinc/77/24/82/804772482.db2.gz QRDGKOMEPQTMDS-UHFFFAOYSA-N -1 0 320.392 -0.445 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000796695207 804773006 /nfs/dbraw/zinc/77/30/06/804773006.db2.gz BDDYSTFXFNATGP-UHFFFAOYSA-N -1 0 317.371 -0.839 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccn(C2CCCCC2)n1 ZINC000796828323 804773479 /nfs/dbraw/zinc/77/34/79/804773479.db2.gz NMQBNFUBLJWGMV-UHFFFAOYSA-N -1 0 314.367 -0.067 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)C[C@H]1CCCOC1 ZINC000796776149 804773671 /nfs/dbraw/zinc/77/36/71/804773671.db2.gz UDGREGOMFMGDMO-LLVKDONJSA-N -1 0 309.384 -0.088 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)C1 ZINC000796868541 804774815 /nfs/dbraw/zinc/77/48/15/804774815.db2.gz KBSWJWMYVJJSDM-MRVPVSSYSA-N -1 0 300.340 -0.527 20 0 DBADRM Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)c3cc[nH]n3)cn12 ZINC000796870756 804775097 /nfs/dbraw/zinc/77/50/97/804775097.db2.gz WMHNMUWIMXRZQK-UHFFFAOYSA-N -1 0 306.307 -0.120 20 0 DBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796883631 804775827 /nfs/dbraw/zinc/77/58/27/804775827.db2.gz VPDXNDVCLUCRQT-UHFFFAOYSA-N -1 0 307.353 -0.489 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCC(=O)c1cnn(C)c1 ZINC000796905023 804775886 /nfs/dbraw/zinc/77/58/86/804775886.db2.gz LCECIYWAJZPJMK-SECBINFHSA-N -1 0 317.367 -0.136 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)Cc2cnn(C)c2C)cn1 ZINC000796956346 804776427 /nfs/dbraw/zinc/77/64/27/804776427.db2.gz WEGTVDPFNRUWQT-UHFFFAOYSA-N -1 0 311.367 -0.007 20 0 DBADRM O=C([N-]S(=O)(=O)Cc1ccon1)c1cnn2c1OCCC2 ZINC000796947860 804776567 /nfs/dbraw/zinc/77/65/67/804776567.db2.gz MWTXTPUONNWFBS-UHFFFAOYSA-N -1 0 312.307 -0.087 20 0 DBADRM CC(C)n1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)nn1 ZINC000796995576 804777069 /nfs/dbraw/zinc/77/70/69/804777069.db2.gz CWIHSHGIVORDOQ-SECBINFHSA-N -1 0 302.356 -0.045 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CCn1cnccc1=O ZINC000796970766 804777076 /nfs/dbraw/zinc/77/70/76/804777076.db2.gz MUXLXHRXDOHBIZ-UHFFFAOYSA-N -1 0 302.356 -0.664 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2 ZINC000797170453 804777321 /nfs/dbraw/zinc/77/73/21/804777321.db2.gz QCRGVCQTRZBVQN-QMMMGPOBSA-N -1 0 303.340 -0.240 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)[nH]1 ZINC000797064521 804777728 /nfs/dbraw/zinc/77/77/28/804777728.db2.gz TZQHPJAAHPGXAO-LURJTMIESA-N -1 0 318.307 -0.578 20 0 DBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)CCC(F)(F)F ZINC000797253198 804778890 /nfs/dbraw/zinc/77/88/90/804778890.db2.gz BVADNNTZAFZMES-UHFFFAOYSA-N -1 0 304.290 -0.283 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)CCn2cnccc2=O)CC1 ZINC000797274171 804778931 /nfs/dbraw/zinc/77/89/31/804778931.db2.gz BNSWVGBSWQIRRA-UHFFFAOYSA-N -1 0 315.351 -0.742 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1 ZINC000797286249 804779848 /nfs/dbraw/zinc/77/98/48/804779848.db2.gz KBQDKDUHTOHQJA-SSDOTTSWSA-N -1 0 314.319 -0.593 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@H]1CCC(=O)[C@H]1C ZINC000797301755 804780701 /nfs/dbraw/zinc/78/07/01/804780701.db2.gz WXSCVSDAZBLWJA-XHNCKOQMSA-N -1 0 305.352 -0.001 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)[C@H](C)C1 ZINC000797306577 804781404 /nfs/dbraw/zinc/78/14/04/804781404.db2.gz PYSUSDKAGVBTKH-VGMNWLOBSA-N -1 0 305.352 -0.001 20 0 DBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000797306254 804781577 /nfs/dbraw/zinc/78/15/77/804781577.db2.gz UHWFQADSHQAKBW-QMMMGPOBSA-N -1 0 324.355 -0.480 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)NCCn1cnnc1CC ZINC000797729942 804783823 /nfs/dbraw/zinc/78/38/23/804783823.db2.gz UZSUSHIRSSILRJ-JTQLQIEISA-N -1 0 313.358 -0.028 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1c(C)noc1C ZINC000798201081 804786822 /nfs/dbraw/zinc/78/68/22/804786822.db2.gz RCEWEVXMZJFZDO-MRVPVSSYSA-N -1 0 304.324 -0.159 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C ZINC000798201826 804787051 /nfs/dbraw/zinc/78/70/51/804787051.db2.gz ZMGBWWORQZSMIX-MRVPVSSYSA-N -1 0 322.383 -0.454 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCCCCNC(C)=O ZINC000798199996 804787388 /nfs/dbraw/zinc/78/73/88/804787388.db2.gz JAGOPPYAHGQGKN-SECBINFHSA-N -1 0 322.383 -0.310 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)NC[C@@](C)(O)CO)cc2[n-]c1=S ZINC000798264743 804788019 /nfs/dbraw/zinc/78/80/19/804788019.db2.gz UQHULLNVQFJHIJ-CQSZACIVSA-N -1 0 323.374 -0.305 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(C(=O)[N-]N2CCCNC2=O)c1 ZINC000798337757 804790237 /nfs/dbraw/zinc/79/02/37/804790237.db2.gz YXODNAQVWYMRPI-UHFFFAOYSA-N -1 0 316.314 -0.467 20 0 DBADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1cnnn1C ZINC000798814840 804801110 /nfs/dbraw/zinc/80/11/10/804801110.db2.gz XVQACUXAOMHXMV-UHFFFAOYSA-N -1 0 309.351 -0.078 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)[N-]S(=O)(=O)N1CCCC1)CC2 ZINC000798818943 804801267 /nfs/dbraw/zinc/80/12/67/804801267.db2.gz FWKDSWWPWMUYBB-SNVBAGLBSA-N -1 0 312.395 -0.018 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)[N-]S(=O)(=O)N1CCCC1)CC2 ZINC000798818942 804801368 /nfs/dbraw/zinc/80/13/68/804801368.db2.gz FWKDSWWPWMUYBB-JTQLQIEISA-N -1 0 312.395 -0.018 20 0 DBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000798846793 804802064 /nfs/dbraw/zinc/80/20/64/804802064.db2.gz CEEBTMQKDMIHCB-UHFFFAOYSA-N -1 0 308.319 -0.036 20 0 DBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000798846747 804802234 /nfs/dbraw/zinc/80/22/34/804802234.db2.gz BMLNHEFWVHNXAC-UHFFFAOYSA-N -1 0 310.291 -0.338 20 0 DBADRM CCOC(=O)[C@]1(COC)CCCN(C(=O)c2cc(=O)[nH][n-]2)C1 ZINC000799198671 804808279 /nfs/dbraw/zinc/80/82/79/804808279.db2.gz KRKSJPBEKZWQIK-CQSZACIVSA-N -1 0 311.338 -0.319 20 0 DBADRM COc1ccc2occ(C(=O)[N-]S(=O)(=O)CC(N)=O)c2c1 ZINC000799623415 804815023 /nfs/dbraw/zinc/81/50/23/804815023.db2.gz VBWWKRPDMYSNEI-UHFFFAOYSA-N -1 0 312.303 -0.014 20 0 DBADRM Cn1nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1C1CC1 ZINC000800550160 804825174 /nfs/dbraw/zinc/82/51/74/804825174.db2.gz RWGRJTFZDSJUEM-UHFFFAOYSA-N -1 0 314.367 -0.507 20 0 DBADRM CCc1c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cnn1C ZINC000800549215 804825188 /nfs/dbraw/zinc/82/51/88/804825188.db2.gz DZNFDZGXIITOCO-UHFFFAOYSA-N -1 0 302.356 -0.822 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1csc(C=O)c1 ZINC000800550043 804825269 /nfs/dbraw/zinc/82/52/69/804825269.db2.gz QLAVFPHUIAGGSK-UHFFFAOYSA-N -1 0 304.349 -0.244 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnc2ccccn12 ZINC000800549904 804825795 /nfs/dbraw/zinc/82/57/95/804825795.db2.gz QVUVBZBOYBZYLT-UHFFFAOYSA-N -1 0 310.335 -0.470 20 0 DBADRM CN(C)c1ncccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800550211 804825855 /nfs/dbraw/zinc/82/58/55/804825855.db2.gz SFTFYXZTAQGTNO-UHFFFAOYSA-N -1 0 314.367 -0.657 20 0 DBADRM CC(C)CC(=O)NCCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800553073 804826031 /nfs/dbraw/zinc/82/60/31/804826031.db2.gz KBWFLESHRTXUQO-UHFFFAOYSA-N -1 0 321.399 -0.879 20 0 DBADRM Cc1nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)sc1C ZINC000800552078 804826106 /nfs/dbraw/zinc/82/61/06/804826106.db2.gz ZZJDFMJAFWRQOQ-UHFFFAOYSA-N -1 0 305.381 -0.044 20 0 DBADRM COc1cc(NC(=O)C(=O)[N-]OCC(N)=O)c(C)c(OC)c1 ZINC000800633466 804826424 /nfs/dbraw/zinc/82/64/24/804826424.db2.gz YNXZGZFZMHAZRI-UHFFFAOYSA-N -1 0 311.294 -0.516 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccnc2[nH]cnc21 ZINC000800552319 804826529 /nfs/dbraw/zinc/82/65/29/804826529.db2.gz SSBFDPQXGLWZNZ-UHFFFAOYSA-N -1 0 311.323 -0.846 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)COc1ccsc1 ZINC000800551885 804826695 /nfs/dbraw/zinc/82/66/95/804826695.db2.gz VLFPCIAGHIIFMO-UHFFFAOYSA-N -1 0 306.365 -0.291 20 0 DBADRM O=C(NCCS(=O)(=O)CCc1ccccc1)c1cc(=O)[nH][n-]1 ZINC000800706542 804828597 /nfs/dbraw/zinc/82/85/97/804828597.db2.gz FJLAKHBPYLDKLY-UHFFFAOYSA-N -1 0 323.374 -0.364 20 0 DBADRM Cn1nnc2c1nccc2C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000802031855 804841999 /nfs/dbraw/zinc/84/19/99/804841999.db2.gz LJWBRPMYRYBHHN-UHFFFAOYSA-N -1 0 318.318 -0.123 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)C1CN(C(C)=O)C1 ZINC000802152775 804842837 /nfs/dbraw/zinc/84/28/37/804842837.db2.gz ZLFGWTKTCJFHAQ-JGVFFNPUSA-N -1 0 320.367 -0.892 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)C1=CCOCC1 ZINC000802163780 804843312 /nfs/dbraw/zinc/84/33/12/804843312.db2.gz SGCQKGGRTXZQHI-DTWKUNHWSA-N -1 0 305.352 -0.023 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1COCCO1 ZINC000802165198 804843568 /nfs/dbraw/zinc/84/35/68/804843568.db2.gz RCNKZZXPJXLOLI-VGMNWLOBSA-N -1 0 309.340 -0.955 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1nnn(C)c1C ZINC000802167727 804843626 /nfs/dbraw/zinc/84/36/26/804843626.db2.gz PQWQNDNFPACMAF-SVRRBLITSA-N -1 0 318.355 -0.619 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)co1 ZINC000802205165 804844135 /nfs/dbraw/zinc/84/41/35/804844135.db2.gz NXTLDLBYRMLAOZ-UHFFFAOYSA-N -1 0 324.318 -0.360 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)C1=O ZINC000802210600 804844266 /nfs/dbraw/zinc/84/42/66/804844266.db2.gz KLHTXDMEOHCYOP-QMMMGPOBSA-N -1 0 312.351 -0.888 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccnc2c1nnn2C ZINC000802228232 804844304 /nfs/dbraw/zinc/84/43/04/804844304.db2.gz HZLMSCDOGJSQEP-SSDOTTSWSA-N -1 0 313.339 -0.542 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(OC(F)F)cc1F ZINC000802572877 804846437 /nfs/dbraw/zinc/84/64/37/804846437.db2.gz KRPLVFQDBSTFOE-UHFFFAOYSA-N -1 0 321.211 -0.101 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)COC(F)F ZINC000802767118 804847445 /nfs/dbraw/zinc/84/74/45/804847445.db2.gz LJVZLLUCQPVCAF-WDSKDSINSA-N -1 0 303.283 -0.131 20 0 DBADRM O=C(CC1OCCO1)[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000802790926 804847480 /nfs/dbraw/zinc/84/74/80/804847480.db2.gz PHCCNUUJKMHYFO-UHFFFAOYSA-N -1 0 315.351 -0.139 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1)C(=O)C1CC1 ZINC000802999106 804849111 /nfs/dbraw/zinc/84/91/11/804849111.db2.gz FMVROBBFFBYWEG-SNVBAGLBSA-N -1 0 318.395 -0.273 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)C1=O ZINC000803006831 804849351 /nfs/dbraw/zinc/84/93/51/804849351.db2.gz NKURDRDCWKHXNS-UWVGGRQHSA-N -1 0 304.368 -0.663 20 0 DBADRM COc1cncc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)n1 ZINC000803008165 804849384 /nfs/dbraw/zinc/84/93/84/804849384.db2.gz OAGLEUHICDRTAA-VIFPVBQESA-N -1 0 315.351 -0.029 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H](C)CN1CCCC1=O ZINC000803118648 804850432 /nfs/dbraw/zinc/85/04/32/804850432.db2.gz YGBUGDLRDKNMSE-SNVBAGLBSA-N -1 0 301.343 -0.802 20 0 DBADRM COC(=O)C(=O)CCCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000803342378 804852953 /nfs/dbraw/zinc/85/29/53/804852953.db2.gz CVGXRZJIYHSHQH-UHFFFAOYSA-N -1 0 322.277 -0.863 20 0 DBADRM CC(C)=CC(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001285351377 804862408 /nfs/dbraw/zinc/86/24/08/804862408.db2.gz QUKKYGHTHWTAFO-UHFFFAOYSA-N -1 0 309.326 -0.221 20 0 DBADRM O=C(CCN1CCOCC1)N1CCSC[C@H]1c1nnn[n-]1 ZINC000804611318 804874712 /nfs/dbraw/zinc/87/47/12/804874712.db2.gz NOPFEDBMHILNIO-JTQLQIEISA-N -1 0 312.399 -0.462 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1nn(C)c2ccccc12 ZINC000805742294 804902651 /nfs/dbraw/zinc/90/26/51/804902651.db2.gz IIUGICLDKQQXHL-UHFFFAOYSA-N -1 0 306.322 -0.116 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccnc3c2ncn3C)cn1 ZINC000805844616 804902850 /nfs/dbraw/zinc/90/28/50/804902850.db2.gz LTSIDGCCOUTRLU-UHFFFAOYSA-N -1 0 320.334 -0.180 20 0 DBADRM O=C(COCc1ccccn1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000805881960 804904711 /nfs/dbraw/zinc/90/47/11/804904711.db2.gz NCWQBNKWEAAJQK-LLVKDONJSA-N -1 0 300.336 -0.167 20 0 DBADRM CN(C)c1cccc(CCC(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000805916469 804905244 /nfs/dbraw/zinc/90/52/44/804905244.db2.gz WQBFHQLRXUWWND-UHFFFAOYSA-N -1 0 313.379 -0.384 20 0 DBADRM C[C@H](OCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)c1nccn1C ZINC000805882590 804905338 /nfs/dbraw/zinc/90/53/38/804905338.db2.gz ZJZZBANFGSOMDD-VHSXEESVSA-N -1 0 317.367 -0.267 20 0 DBADRM C/C=C(/C)C(=O)NC/C=C\CNC(=O)c1cnc([O-])n(C)c1=O ZINC001285517274 804905510 /nfs/dbraw/zinc/90/55/10/804905510.db2.gz HOOGBAWWRPRLSH-ZQWSEWHOSA-N -1 0 320.349 -0.146 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000806694695 804922871 /nfs/dbraw/zinc/92/28/71/804922871.db2.gz JRTZCODIFATTJB-NSHDSACASA-N -1 0 316.354 -0.127 20 0 DBADRM C[C@H](CNC(=O)C(=O)[N-]OC1CCCCC1)S(C)(=O)=O ZINC000807000138 804928184 /nfs/dbraw/zinc/92/81/84/804928184.db2.gz KNBFNHOFNHVZBI-SECBINFHSA-N -1 0 306.384 -0.084 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)C(=O)[N-]O[C@H]3CCCCO3)ccnc1-2 ZINC000807028265 804929150 /nfs/dbraw/zinc/92/91/50/804929150.db2.gz WUMGDQZSNIVLMX-NSHDSACASA-N -1 0 319.321 -0.145 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 ZINC000807028051 804929343 /nfs/dbraw/zinc/92/93/43/804929343.db2.gz RKAGQVMTONFZJL-UHFFFAOYSA-N -1 0 319.314 -0.260 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000807435642 804936283 /nfs/dbraw/zinc/93/62/83/804936283.db2.gz WJMZDGWWOPNLCT-UHFFFAOYSA-N -1 0 320.309 -0.315 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000807435310 804936313 /nfs/dbraw/zinc/93/63/13/804936313.db2.gz GBJMJRVMIYQRLV-UHFFFAOYSA-N -1 0 321.333 -0.005 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1cccc2c1CNC2=O ZINC000807434781 804936324 /nfs/dbraw/zinc/93/63/24/804936324.db2.gz CMSHPQGFUUXUMQ-UHFFFAOYSA-N -1 0 307.306 -0.047 20 0 DBADRM CNC(=O)C[C@H](NC(=O)C(=O)[N-]OCCOC)c1ccccc1 ZINC000807733489 804939772 /nfs/dbraw/zinc/93/97/72/804939772.db2.gz VRATVBOAHYLMJS-LBPRGKRZSA-N -1 0 323.349 -0.326 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CC=CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001285757880 804961286 /nfs/dbraw/zinc/96/12/86/804961286.db2.gz VFPWCRJPLSUPQL-IUCAKERBSA-N -1 0 321.337 -0.126 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCC[C@@H](OC)C(F)(F)F ZINC000808972574 804966721 /nfs/dbraw/zinc/96/67/21/804966721.db2.gz GPHBDVSLULGMRR-SSDOTTSWSA-N -1 0 302.249 -0.236 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)nn1 ZINC000808996889 804967474 /nfs/dbraw/zinc/96/74/74/804967474.db2.gz LZDKNBOTKNYSPX-UHFFFAOYSA-N -1 0 310.291 -0.338 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn(CCF)c1 ZINC000808998940 804967699 /nfs/dbraw/zinc/96/76/99/804967699.db2.gz XBXKLXSGCHLIKB-SSDOTTSWSA-N -1 0 307.303 -0.526 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cnc2n[nH]nc2c1 ZINC000809031168 804968944 /nfs/dbraw/zinc/96/89/44/804968944.db2.gz WWFVWAFKYQNFPZ-UHFFFAOYSA-N -1 0 321.322 -0.486 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)COC[C@H]1CCCO1 ZINC000809030280 804969118 /nfs/dbraw/zinc/96/91/18/804969118.db2.gz MNZUZZASJKCUHF-SNVBAGLBSA-N -1 0 317.367 -0.271 20 0 DBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)n1 ZINC000810557983 804995201 /nfs/dbraw/zinc/99/52/01/804995201.db2.gz ARKDFDRYQPCMNA-UHFFFAOYSA-N -1 0 304.719 -0.679 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)C1(COC)CCOCC1 ZINC000810585268 804996871 /nfs/dbraw/zinc/99/68/71/804996871.db2.gz PUZMRSVTHQDXEC-JTQLQIEISA-N -1 0 309.384 -0.090 20 0 DBADRM O=C(CNS(=O)(=O)c1cccnc1)[N-]OCC(F)(F)F ZINC000810598359 804996945 /nfs/dbraw/zinc/99/69/45/804996945.db2.gz MUYNHTFDOZGCNB-UHFFFAOYSA-N -1 0 313.257 -0.030 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1C1CC1 ZINC000810670598 804997167 /nfs/dbraw/zinc/99/71/67/804997167.db2.gz IYDYEAZLGFOVHP-SSDOTTSWSA-N -1 0 315.351 -0.081 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2ncn(C)n2)c1 ZINC000810665919 804997317 /nfs/dbraw/zinc/99/73/17/804997317.db2.gz GDUFJSBDCIJOMS-UHFFFAOYSA-N -1 0 312.355 -0.214 20 0 DBADRM COc1cccnc1CC(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000810677921 804998048 /nfs/dbraw/zinc/99/80/48/804998048.db2.gz TYWMCVTXCQLXIU-UHFFFAOYSA-N -1 0 310.335 -0.129 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ncccc1OC ZINC000810671620 804998204 /nfs/dbraw/zinc/99/82/04/804998204.db2.gz WEKSQDGTOZPNDE-MRVPVSSYSA-N -1 0 316.335 -0.360 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCCCC(N)=O ZINC000810681508 804998302 /nfs/dbraw/zinc/99/83/02/804998302.db2.gz JVEVTIGFJMJTHZ-IUCAKERBSA-N -1 0 322.383 -0.324 20 0 DBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)n1 ZINC000810819292 805000114 /nfs/dbraw/zinc/00/01/14/805000114.db2.gz QZGGBJLQRGBHHJ-UHFFFAOYSA-N -1 0 308.319 -0.131 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2c(C)onc2N)CCC1 ZINC000810828896 805000826 /nfs/dbraw/zinc/00/08/26/805000826.db2.gz QJCVFOWYZLWPEW-UHFFFAOYSA-N -1 0 316.339 -0.714 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C1=O ZINC000811144861 805004690 /nfs/dbraw/zinc/00/46/90/805004690.db2.gz ZXKPQBLJKAPMQG-QMMMGPOBSA-N -1 0 320.367 -0.890 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)C2(COC)CC2)CC1 ZINC000811152545 805004752 /nfs/dbraw/zinc/00/47/52/805004752.db2.gz FRXAQYNBUUXUNW-UHFFFAOYSA-N -1 0 305.352 -0.045 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CN(C)C(C)=O ZINC000811143239 805004769 /nfs/dbraw/zinc/00/47/69/805004769.db2.gz JMDKNQGYRJNWPC-UHFFFAOYSA-N -1 0 308.356 -0.890 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000811138422 805004885 /nfs/dbraw/zinc/00/48/85/805004885.db2.gz QGOHETSDOZUCGX-MRVPVSSYSA-N -1 0 323.367 -0.169 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000811140206 805004931 /nfs/dbraw/zinc/00/49/31/805004931.db2.gz RDAPDMUFRYUKRY-QMMMGPOBSA-N -1 0 322.383 -0.454 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2c(C)nn(C)c2OC)CC1 ZINC000811152230 805005185 /nfs/dbraw/zinc/00/51/85/805005185.db2.gz RTHSUZHMKXCRFN-UHFFFAOYSA-N -1 0 317.367 -0.024 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cn(C)nn1 ZINC000811140527 805005438 /nfs/dbraw/zinc/00/54/38/805005438.db2.gz GAPRKYIZHKGIPM-UHFFFAOYSA-N -1 0 304.328 -0.926 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)Cc1ccnn1C ZINC000811139095 805005512 /nfs/dbraw/zinc/00/55/12/805005512.db2.gz BVGNEQDUABVGRY-UHFFFAOYSA-N -1 0 317.367 -0.392 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000811154994 805005689 /nfs/dbraw/zinc/00/56/89/805005689.db2.gz DYZGKEKVXHCODA-UWVGGRQHSA-N -1 0 318.395 -0.097 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN(C(C)=O)C2)CC1 ZINC000811160663 805005710 /nfs/dbraw/zinc/00/57/10/805005710.db2.gz MOHAQBXOGBINHA-GFCCVEGCSA-N -1 0 318.395 -0.130 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)CCc2ccnn2C)CC1 ZINC000811157705 805006059 /nfs/dbraw/zinc/00/60/59/805006059.db2.gz ZUYANDBBZLQORU-UHFFFAOYSA-N -1 0 301.368 -0.022 20 0 DBADRM C/C=C(\C)C(=O)N1CC(CCO)(NC(=O)c2cnc[nH]c2=O)C1 ZINC001285947263 805007075 /nfs/dbraw/zinc/00/70/75/805007075.db2.gz HARCZPZYSKYGJR-XCVCLJGOSA-N -1 0 320.349 -0.158 20 0 DBADRM COC(=O)CCCO[N-]C(=O)Cn1nnc2ccccc2c1=O ZINC000811560951 805011150 /nfs/dbraw/zinc/01/11/50/805011150.db2.gz DWPORZCWFLWYFF-UHFFFAOYSA-N -1 0 320.305 -0.208 20 0 DBADRM COC(=O)CCCO[N-]C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000811559862 805011328 /nfs/dbraw/zinc/01/13/28/805011328.db2.gz AGJHISVJNUDQJF-UHFFFAOYSA-N -1 0 322.325 -0.210 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@H]1COCCN1CC(F)F ZINC000811562192 805011898 /nfs/dbraw/zinc/01/18/98/805011898.db2.gz MBYNKMILFAHPLG-SECBINFHSA-N -1 0 310.297 -0.047 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(=O)[N-]OC/C=C/Cl)cn1 ZINC000812399539 805018219 /nfs/dbraw/zinc/01/82/19/805018219.db2.gz QYFNDYRXWWLCIL-NSCUHMNNSA-N -1 0 308.747 -0.501 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)c1cnc(Cl)n1C)C(=O)[O-] ZINC000812448675 805019105 /nfs/dbraw/zinc/01/91/05/805019105.db2.gz BYAKSKSCWYRLFJ-ZCFIWIBFSA-N -1 0 311.747 -0.159 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC000812449542 805019628 /nfs/dbraw/zinc/01/96/28/805019628.db2.gz PJIDSGJPGCDQSO-SNVBAGLBSA-N -1 0 310.372 -0.579 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(=O)[N-]OC2CCC2)cn1C ZINC000812791654 805021383 /nfs/dbraw/zinc/02/13/83/805021383.db2.gz ZFGNTKVZIAQSNJ-UHFFFAOYSA-N -1 0 302.356 -0.393 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc3nnnn3c2)C1=O ZINC000813547417 805030582 /nfs/dbraw/zinc/03/05/82/805030582.db2.gz SACNRWGGDZDREC-LBPRGKRZSA-N -1 0 303.282 -0.510 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccoc2)CC1 ZINC000813945592 805035465 /nfs/dbraw/zinc/03/54/65/805035465.db2.gz LLMTUAGPTBDOEI-UHFFFAOYSA-N -1 0 301.324 -0.582 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1)C(C)C ZINC000813946179 805035695 /nfs/dbraw/zinc/03/56/95/805035695.db2.gz WFGCRJSECSFBSH-LLVKDONJSA-N -1 0 321.399 -0.818 20 0 DBADRM CS/C=C/C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813946548 805035711 /nfs/dbraw/zinc/03/57/11/805035711.db2.gz CAVZMSIPFLIJMK-FPYGCLRLSA-N -1 0 307.397 -0.612 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc(C)o2)CC1 ZINC000813944785 805036031 /nfs/dbraw/zinc/03/60/31/805036031.db2.gz YIEBPFBZSVPKAR-UHFFFAOYSA-N -1 0 315.351 -0.273 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CC(C)(C)C)CC1 ZINC000813946622 805036282 /nfs/dbraw/zinc/03/62/82/805036282.db2.gz GKSNLEUAKQIJLU-UHFFFAOYSA-N -1 0 305.400 -0.052 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C=C2CCC2)CC1 ZINC000813948707 805036420 /nfs/dbraw/zinc/03/64/20/805036420.db2.gz JRGWIVRNYACEGZ-UHFFFAOYSA-N -1 0 301.368 -0.378 20 0 DBADRM CC/C=C(\C)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813950231 805036517 /nfs/dbraw/zinc/03/65/17/805036517.db2.gz XHZQSPQSRMSAKZ-BJMVGYQFSA-N -1 0 303.384 -0.132 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC000813950137 805036586 /nfs/dbraw/zinc/03/65/86/805036586.db2.gz KRFOLOZSJLTSMG-JQWIXIFHSA-N -1 0 317.411 -0.052 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccccc2)CC1 ZINC000813948689 805036939 /nfs/dbraw/zinc/03/69/39/805036939.db2.gz JNAFOOKABPPGBH-UHFFFAOYSA-N -1 0 311.363 -0.175 20 0 DBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2C)nn1C ZINC000813951404 805037421 /nfs/dbraw/zinc/03/74/21/805037421.db2.gz GWBVIRCWYPYBAR-UHFFFAOYSA-N -1 0 313.339 -0.411 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000813953255 805037442 /nfs/dbraw/zinc/03/74/42/805037442.db2.gz RCFDOGKYOWROBW-SSDOTTSWSA-N -1 0 302.356 -0.552 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)CCN2CCCC2=O)cnn1C ZINC000813952372 805037583 /nfs/dbraw/zinc/03/75/83/805037583.db2.gz HOXDRURQNXKOIX-UHFFFAOYSA-N -1 0 314.367 -0.454 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2cnn(C)c2C)CCC1 ZINC000813953618 805037635 /nfs/dbraw/zinc/03/76/35/805037635.db2.gz YKHGPXGPWOERKG-UHFFFAOYSA-N -1 0 314.367 -0.550 20 0 DBADRM COc1ncc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2C)cn1 ZINC000813956077 805037949 /nfs/dbraw/zinc/03/79/49/805037949.db2.gz IJAZGZORXHUAFJ-UHFFFAOYSA-N -1 0 311.323 -0.354 20 0 DBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2c(C)cnn2C)nn1C ZINC000813987098 805038461 /nfs/dbraw/zinc/03/84/61/805038461.db2.gz BYRPDKSBRHARAF-UHFFFAOYSA-N -1 0 313.339 -0.411 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccc2nncn2c1 ZINC000813991237 805038564 /nfs/dbraw/zinc/03/85/64/805038564.db2.gz ARSWTTZDAAKYGJ-UHFFFAOYSA-N -1 0 320.334 -0.110 20 0 DBADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)c2c(C)cnn2C)no1 ZINC000813991123 805038848 /nfs/dbraw/zinc/03/88/48/805038848.db2.gz WVTIDLLOCMTXOR-UHFFFAOYSA-N -1 0 314.323 -0.091 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)Cn1ccc(C)cc1=O ZINC000813990074 805039052 /nfs/dbraw/zinc/03/90/52/805039052.db2.gz WINNOHKPAXPKAX-UHFFFAOYSA-N -1 0 324.362 -0.296 20 0 DBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000813988820 805039082 /nfs/dbraw/zinc/03/90/82/805039082.db2.gz QRCFDXMIAUKNFW-UHFFFAOYSA-N -1 0 305.356 -0.413 20 0 DBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)[N-]OCC1CC1 ZINC000815790588 805059211 /nfs/dbraw/zinc/05/92/11/805059211.db2.gz VDRVRADAGLHLEA-UHFFFAOYSA-N -1 0 310.310 -0.007 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)c[nH]1 ZINC000815900094 805060793 /nfs/dbraw/zinc/06/07/93/805060793.db2.gz ODONJKHLGBMHBX-UHFFFAOYSA-N -1 0 312.307 -0.347 20 0 DBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)c2cccs2)c1=O ZINC000815893766 805060842 /nfs/dbraw/zinc/06/08/42/805060842.db2.gz VHVDZMRNCDLKQK-UHFFFAOYSA-N -1 0 316.364 -0.462 20 0 DBADRM CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000815962849 805062618 /nfs/dbraw/zinc/06/26/18/805062618.db2.gz DITJXXNUZFIODW-GHMZBOCLSA-N -1 0 306.384 -0.115 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2nn(CC)nc2C)cn1 ZINC000815973190 805063773 /nfs/dbraw/zinc/06/37/73/805063773.db2.gz AAPIFDMWNQGKQI-UHFFFAOYSA-N -1 0 312.355 -0.058 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)n1 ZINC000816015718 805064165 /nfs/dbraw/zinc/06/41/65/805064165.db2.gz SUHKXELJKXYSLH-ZETCQYMHSA-N -1 0 304.328 -0.772 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C)n1 ZINC000816085981 805065649 /nfs/dbraw/zinc/06/56/49/805065649.db2.gz WFDSCPABDHWIFT-UHFFFAOYSA-N -1 0 312.355 -0.233 20 0 DBADRM CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816201409 805066015 /nfs/dbraw/zinc/06/60/15/805066015.db2.gz BKKZXBLSKMPLCT-DTWKUNHWSA-N -1 0 315.351 -0.105 20 0 DBADRM CC(C)OCC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816205866 805066359 /nfs/dbraw/zinc/06/63/59/805066359.db2.gz PFFSUTKEBRNDJB-UHFFFAOYSA-N -1 0 303.340 -0.105 20 0 DBADRM Cn1c2ccccc2n(CC(=O)Nn2c(=O)[n-][nH]c2=O)c1=O ZINC000816730704 805079077 /nfs/dbraw/zinc/07/90/77/805079077.db2.gz LELWZZMFJISFCK-UHFFFAOYSA-N -1 0 304.266 -0.887 20 0 DBADRM CC(C)[C@@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000816731719 805079622 /nfs/dbraw/zinc/07/96/22/805079622.db2.gz BUOOWXAENDLFFM-BBBLOLIVSA-N -1 0 313.358 -0.107 20 0 DBADRM Cc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)ccc1-n1cncn1 ZINC000816731766 805079776 /nfs/dbraw/zinc/07/97/76/805079776.db2.gz DMJXRPKILJPZAY-UHFFFAOYSA-N -1 0 301.266 -0.038 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000816731746 805079808 /nfs/dbraw/zinc/07/98/08/805079808.db2.gz DAFIHDZYFVMPJT-ZETCQYMHSA-N -1 0 307.266 -0.599 20 0 DBADRM CCS(=O)(=O)c1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1 ZINC000816732575 805079873 /nfs/dbraw/zinc/07/98/73/805079873.db2.gz NMAPIKRJZNBSLM-UHFFFAOYSA-N -1 0 312.307 -0.133 20 0 DBADRM O=C(CNC(=O)c1cc(F)cc(F)c1)Nn1c(=O)[n-][nH]c1=O ZINC000816732203 805079973 /nfs/dbraw/zinc/07/99/73/805079973.db2.gz XDFXIXOKZBLUHA-UHFFFAOYSA-N -1 0 313.220 -0.532 20 0 DBADRM CN(C)C(=O)COc1ccccc1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816733107 805080082 /nfs/dbraw/zinc/08/00/82/805080082.db2.gz JXXCXQOUFOWWQW-UHFFFAOYSA-N -1 0 321.293 -0.460 20 0 DBADRM CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000816807548 805083448 /nfs/dbraw/zinc/08/34/48/805083448.db2.gz KREPJMIYUJPRBG-VIFPVBQESA-N -1 0 301.368 -0.322 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NCCOc1cccnc1)C(=O)[O-] ZINC000817106170 805090504 /nfs/dbraw/zinc/09/05/04/805090504.db2.gz DWDBEUXBBMKKPO-JTQLQIEISA-N -1 0 309.322 -0.244 20 0 DBADRM C[C@@](O)(CCNC(=O)C(=O)NCCC(=O)[O-])c1ccccc1 ZINC000817114530 805090715 /nfs/dbraw/zinc/09/07/15/805090715.db2.gz IUVCWSJWTWCYEM-OAHLLOKOSA-N -1 0 308.334 -0.009 20 0 DBADRM CSCC[C@H](C)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000817110511 805090931 /nfs/dbraw/zinc/09/09/31/805090931.db2.gz GOWYNIYILURQBW-IUCAKERBSA-N -1 0 304.368 -0.444 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCOc2cccnc2)C1 ZINC000817106760 805091379 /nfs/dbraw/zinc/09/13/79/805091379.db2.gz LJQIZXCJGXFFED-HNNXBMFYSA-N -1 0 321.333 -0.100 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000817114967 805091727 /nfs/dbraw/zinc/09/17/27/805091727.db2.gz LXWVFJWZBLHJER-HNNXBMFYSA-N -1 0 324.308 -0.164 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)O1 ZINC000817116671 805091672 /nfs/dbraw/zinc/09/16/72/805091672.db2.gz XXHOHOMVMYGLRG-XPTSAGLGSA-N -1 0 314.338 -0.423 20 0 DBADRM Cn1c2ncn(CC(=O)[N-]OCCC3CC3)c2c(=O)n(C)c1=O ZINC000817441818 805094479 /nfs/dbraw/zinc/09/44/79/805094479.db2.gz OFMJFXKPRXDAQK-UHFFFAOYSA-N -1 0 321.337 -0.718 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@@H](O)C12CCCC2 ZINC000817582858 805095023 /nfs/dbraw/zinc/09/50/23/805095023.db2.gz LZDKWKUTSKJCQF-LLVKDONJSA-N -1 0 317.349 -0.023 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC=CC1 ZINC001287670961 805100715 /nfs/dbraw/zinc/10/07/15/805100715.db2.gz RRRZJMHFENWTML-QMMMGPOBSA-N -1 0 321.337 -0.174 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCO[C@H](C(F)F)C1)C(=O)[O-] ZINC000817900402 805103642 /nfs/dbraw/zinc/10/36/42/805103642.db2.gz MQRJNECQVLRZMZ-YUMQZZPRSA-N -1 0 308.281 -0.342 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)Cn3ccccc3=O)C2)nn1 ZINC000818321166 805111004 /nfs/dbraw/zinc/11/10/04/805111004.db2.gz UROQFWIOFFREJY-JTQLQIEISA-N -1 0 317.305 -0.388 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000818325763 805111096 /nfs/dbraw/zinc/11/10/96/805111096.db2.gz QRJSFVFYZYDFKB-ONGXEEELSA-N -1 0 307.368 -0.241 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000884478325 807051677 /nfs/dbraw/zinc/05/16/77/807051677.db2.gz XXVJFYNDQPIFOE-MCDVFOBDSA-N -1 0 322.361 -0.151 20 0 DBADRM C[C@@H]1CC(F)(F)CCN1C(=O)C(=O)NCCOCC(=O)[O-] ZINC000884478333 807051844 /nfs/dbraw/zinc/05/18/44/807051844.db2.gz YAHGKUMXLZPDHQ-MRVPVSSYSA-N -1 0 308.281 -0.150 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CC[C@H]2CSC[C@H]2C1 ZINC000884478379 807051980 /nfs/dbraw/zinc/05/19/80/807051980.db2.gz ZFNOOUFGJVIYBH-VHSXEESVSA-N -1 0 316.379 -0.585 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C1 ZINC000884478321 807051988 /nfs/dbraw/zinc/05/19/88/807051988.db2.gz XXVJFYNDQPIFOE-ASHHDVGLSA-N -1 0 322.361 -0.151 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NC[C@H]1COC(C)(C)O1)C(=O)[O-] ZINC000818658138 805116577 /nfs/dbraw/zinc/11/65/77/805116577.db2.gz RFUZZUAKNPJIAP-VIFPVBQESA-N -1 0 316.354 -0.129 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])n1 ZINC000818657999 805116785 /nfs/dbraw/zinc/11/67/85/805116785.db2.gz NZWBNSPITXYTIO-MRVPVSSYSA-N -1 0 311.342 -0.598 20 0 DBADRM CCc1ncc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)s1 ZINC000819094025 805121130 /nfs/dbraw/zinc/12/11/30/805121130.db2.gz FFLWPMGEFPGHCB-SNVBAGLBSA-N -1 0 306.365 -0.084 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000819094783 805121252 /nfs/dbraw/zinc/12/12/52/805121252.db2.gz MDPQWCHDPJTONN-LLVKDONJSA-N -1 0 313.291 -0.567 20 0 DBADRM Cn1ncc(N2CCO[C@@H](C(=O)[O-])C2)c(Br)c1=O ZINC000819084168 805121511 /nfs/dbraw/zinc/12/15/11/805121511.db2.gz DKPJKXBQBFNXNE-SSDOTTSWSA-N -1 0 318.127 -0.167 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)cn1 ZINC000819102147 805122711 /nfs/dbraw/zinc/12/27/11/805122711.db2.gz FAXTZZYCZUINOF-SCZZXKLOSA-N -1 0 303.340 -0.422 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000819106231 805122848 /nfs/dbraw/zinc/12/28/48/805122848.db2.gz SXANOJBXMNLSON-PSASIEDQSA-N -1 0 303.340 -0.124 20 0 DBADRM O=C(CN1CCS(=O)(=O)CC1)NC1(C(=O)[O-])CCCCC1 ZINC000819159555 805123655 /nfs/dbraw/zinc/12/36/55/805123655.db2.gz DYSNLYKLKVXIGG-UHFFFAOYSA-N -1 0 318.395 -0.380 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)NCCn3cnnn3)cc2=O)cc1 ZINC000819459747 805127263 /nfs/dbraw/zinc/12/72/63/805127263.db2.gz UDXLUPSLSNLRAG-UHFFFAOYSA-N -1 0 313.321 -0.109 20 0 DBADRM CCC(=O)N1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000819671434 805132280 /nfs/dbraw/zinc/13/22/80/805132280.db2.gz DECGFSVABWPRQW-UHFFFAOYSA-N -1 0 304.310 -0.891 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC000819620691 805132977 /nfs/dbraw/zinc/13/29/77/805132977.db2.gz QKBASJVJSNXRJK-SNVBAGLBSA-N -1 0 322.369 -0.732 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1=O ZINC000819729462 805134213 /nfs/dbraw/zinc/13/42/13/805134213.db2.gz ZQQIOTOECKBGPA-LURJTMIESA-N -1 0 323.271 -0.293 20 0 DBADRM O=C(Cn1nnc(-c2ccccc2)n1)Nn1c(=O)[n-][nH]c1=O ZINC000820288376 805152057 /nfs/dbraw/zinc/15/20/57/805152057.db2.gz KFVXRGKTCDAEER-UHFFFAOYSA-N -1 0 302.254 -0.887 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccccc1Cn1cncn1 ZINC000820287770 805152067 /nfs/dbraw/zinc/15/20/67/805152067.db2.gz CILQCDACHJVCIG-UHFFFAOYSA-N -1 0 301.266 -0.287 20 0 DBADRM CS(=O)(=O)c1ccccc1CC(=O)Nn1c(=O)[n-][nH]c1=O ZINC000820292856 805153296 /nfs/dbraw/zinc/15/32/96/805153296.db2.gz WLRUWZHGEDSHBX-UHFFFAOYSA-N -1 0 312.307 -0.594 20 0 DBADRM COCc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)ncn1 ZINC000820743818 805165156 /nfs/dbraw/zinc/16/51/56/805165156.db2.gz QLDMTMCDLZLOTB-MRVPVSSYSA-N -1 0 308.294 -0.505 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000821131305 805174641 /nfs/dbraw/zinc/17/46/41/805174641.db2.gz XHOLULCRHAIAAT-SECBINFHSA-N -1 0 307.306 -0.435 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)CC(C)(C)C)c1 ZINC000821261258 805176716 /nfs/dbraw/zinc/17/67/16/805176716.db2.gz QGBKTCRZASLNBN-SCZZXKLOSA-N -1 0 319.383 -0.051 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)CC(C)(C)C)cn1 ZINC000821251971 805177041 /nfs/dbraw/zinc/17/70/41/805177041.db2.gz WUXIEMPUOWAAOK-UWVGGRQHSA-N -1 0 319.383 -0.051 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)N1C ZINC000821619528 805186476 /nfs/dbraw/zinc/18/64/76/805186476.db2.gz BJALIJRVMZQNGE-MRVPVSSYSA-N -1 0 301.324 -0.283 20 0 DBADRM CS(=O)(=O)CCNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000822444875 805204766 /nfs/dbraw/zinc/20/47/66/805204766.db2.gz KMLKNYBANCNXBZ-UHFFFAOYSA-N -1 0 311.319 -0.196 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001289429973 805220147 /nfs/dbraw/zinc/22/01/47/805220147.db2.gz MNPBREHFELKGIT-IVZWLZJFSA-N -1 0 311.338 -0.656 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001289429971 805220160 /nfs/dbraw/zinc/22/01/60/805220160.db2.gz MNPBREHFELKGIT-BBBLOLIVSA-N -1 0 311.338 -0.656 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccccc1-n1cncn1 ZINC001290679804 805253764 /nfs/dbraw/zinc/25/37/64/805253764.db2.gz AOHVQJNIXCORGS-UHFFFAOYSA-N -1 0 301.266 -0.091 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2[C@@H](CO)CC[C@@H]2CO)cc1=O ZINC000824481763 805258739 /nfs/dbraw/zinc/25/87/39/805258739.db2.gz NDTYGELNIWCKDU-CHWSQXEVSA-N -1 0 311.382 -0.281 20 0 DBADRM O=C(NCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1cccs1 ZINC001292464474 805274981 /nfs/dbraw/zinc/27/49/81/805274981.db2.gz UNKZPAOCLXIGNF-UHFFFAOYSA-N -1 0 309.307 -0.496 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001292465808 805275467 /nfs/dbraw/zinc/27/54/67/805275467.db2.gz DLDJPNNDGUCDJD-HTQZYQBOSA-N -1 0 309.326 -0.896 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001292466024 805275549 /nfs/dbraw/zinc/27/55/49/805275549.db2.gz FLGKBSFXDNRUIT-RKDXNWHRSA-N -1 0 311.342 -0.642 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC000825476601 805280210 /nfs/dbraw/zinc/28/02/10/805280210.db2.gz OZEHXJXPOHXWRK-VIFPVBQESA-N -1 0 323.382 -0.220 20 0 DBADRM CN(C(=O)[C@H]1CCCN(CC(F)(F)F)C1=O)c1nnn[n-]1 ZINC000825531579 805281534 /nfs/dbraw/zinc/28/15/34/805281534.db2.gz LZTDJAMPRRBMAH-ZCFIWIBFSA-N -1 0 306.248 -0.037 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2nn[nH]n2)cn1 ZINC000825804417 805285976 /nfs/dbraw/zinc/28/59/76/805285976.db2.gz ALUFUARLFHOBKB-UHFFFAOYSA-N -1 0 323.342 -0.085 20 0 DBADRM CC1(C)C(=O)NCCN1C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000825697868 805286236 /nfs/dbraw/zinc/28/62/36/805286236.db2.gz URUVLAZBTCQEEA-JTQLQIEISA-N -1 0 313.354 -0.118 20 0 DBADRM CS[C@H](C)C(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001292528004 805286539 /nfs/dbraw/zinc/28/65/39/805286539.db2.gz FJTAWLDLNVQLJX-MRVPVSSYSA-N -1 0 323.378 -0.380 20 0 DBADRM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000825864801 805288015 /nfs/dbraw/zinc/28/80/15/805288015.db2.gz AOCSVYANYBKJOR-GMTAPVOTSA-N -1 0 313.354 -0.132 20 0 DBADRM C[C@H]1CN(C(=O)COC(=O)[C@@H]2COCCN2C(=O)[O-])CCO1 ZINC000825988981 805288730 /nfs/dbraw/zinc/28/87/30/805288730.db2.gz RAYVXKIXIJXKJI-UWVGGRQHSA-N -1 0 316.310 -0.844 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)C1(NC(=O)[O-])CC1 ZINC000826075131 805292436 /nfs/dbraw/zinc/29/24/36/805292436.db2.gz UOQYSQKRMIGMIK-BDAKNGLRSA-N -1 0 319.383 -0.427 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccccn1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826450501 805309658 /nfs/dbraw/zinc/30/96/58/805309658.db2.gz OZEOMQNPAVKAMT-UHFFFAOYSA-N -1 0 319.306 -0.292 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)CCc2cnn(C)n2)c1[O-] ZINC001292644365 805311856 /nfs/dbraw/zinc/31/18/56/805311856.db2.gz NSUYTPXNQQCFCG-UHFFFAOYSA-N -1 0 321.341 -0.969 20 0 DBADRM CCn1nncc1C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001292644003 805312393 /nfs/dbraw/zinc/31/23/93/805312393.db2.gz NFPWSLKEYIZLIQ-UHFFFAOYSA-N -1 0 307.314 -0.805 20 0 DBADRM CS[C@@H](C)CC(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001292652288 805314374 /nfs/dbraw/zinc/31/43/74/805314374.db2.gz CWXKESXWFHFTAS-LURJTMIESA-N -1 0 315.355 -0.730 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000826560544 805314798 /nfs/dbraw/zinc/31/47/98/805314798.db2.gz SWTDTQRBSDOGSA-GHMZBOCLSA-N -1 0 316.379 -0.096 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000826651457 805317252 /nfs/dbraw/zinc/31/72/52/805317252.db2.gz DFPNQEGPPPTGKX-NXEZZACHSA-N -1 0 314.338 -0.234 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(C)C[C@@H]2CO)cc1=O ZINC000826702252 805317845 /nfs/dbraw/zinc/31/78/45/805317845.db2.gz GEFDXHQYEVSZDM-CYBMUJFWSA-N -1 0 310.398 -0.490 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)C1=CCCCCC1 ZINC001292670904 805319533 /nfs/dbraw/zinc/31/95/33/805319533.db2.gz NELCFYDKBUEGJB-UHFFFAOYSA-N -1 0 323.353 -0.188 20 0 DBADRM CC(C)OCCN1CC[NH+](CCC(=O)NCC(=O)[O-])CC1 ZINC000827030222 805325620 /nfs/dbraw/zinc/32/56/20/805325620.db2.gz AMJAGPWVSUQSOG-UHFFFAOYSA-N -1 0 301.387 -0.380 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001292760607 805335657 /nfs/dbraw/zinc/33/56/57/805335657.db2.gz KHPZCTRZJXFZJK-RKDXNWHRSA-N -1 0 303.322 -0.475 20 0 DBADRM C[C@@H](OC(=O)CC1(CS(C)(=O)=O)CC1)C(=O)NCC(=O)[O-] ZINC000827826765 805353865 /nfs/dbraw/zinc/35/38/65/805353865.db2.gz OVHMQOQFOMOATG-MRVPVSSYSA-N -1 0 321.351 -0.666 20 0 DBADRM CN(CCNC(=O)CCC[C@@]1(C)NC(=O)NC1=O)C(=O)[O-] ZINC000828321473 805372560 /nfs/dbraw/zinc/37/25/60/805372560.db2.gz SKWQTHFBKLHLHR-GFCCVEGCSA-N -1 0 300.315 -0.519 20 0 DBADRM CN1C(=O)C(=O)N(CN(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000828440889 805374021 /nfs/dbraw/zinc/37/40/21/805374021.db2.gz JRLZTDJNTUHQSF-SECBINFHSA-N -1 0 310.310 -0.419 20 0 DBADRM CC[S@](=O)CCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000829294822 805393425 /nfs/dbraw/zinc/39/34/25/805393425.db2.gz XZBXNSUTUDOFOK-KRWDZBQOSA-N -1 0 312.394 -0.112 20 0 DBADRM COC(=O)[C@H]1C[C@H]1C(=O)NCCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001293190873 805396010 /nfs/dbraw/zinc/39/60/10/805396010.db2.gz JZSZGDRFXYWDGW-BDAKNGLRSA-N -1 0 324.337 -0.531 20 0 DBADRM CO[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000829659402 805398741 /nfs/dbraw/zinc/39/87/41/805398741.db2.gz IEZNXGPZKOOMBH-MRVPVSSYSA-N -1 0 300.336 -0.100 20 0 DBADRM O=C([O-])C[C@H]1CN(S(=O)(=O)C[C@H]2CCCOC2)CCO1 ZINC000829896179 805404117 /nfs/dbraw/zinc/40/41/17/805404117.db2.gz LNUYIDXSFGUQBW-QWRGUYRKSA-N -1 0 307.368 -0.082 20 0 DBADRM COC(=O)C1(O)CN(C(=O)CSc2n[n-]c(=S)s2)C1 ZINC000829955869 805408557 /nfs/dbraw/zinc/40/85/57/805408557.db2.gz FNOOIYANPIOZTQ-UHFFFAOYSA-N -1 0 321.405 -0.335 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001293311189 805412129 /nfs/dbraw/zinc/41/21/29/805412129.db2.gz AHRUMCZKHVTQLZ-DTWKUNHWSA-N -1 0 323.353 -0.045 20 0 DBADRM CC(C)N1C(=S)N=NC1CCNC(=O)CCc1nnn[n-]1 ZINC001293437424 805422514 /nfs/dbraw/zinc/42/25/14/805422514.db2.gz GZTQSBIPJCEUQH-UHFFFAOYSA-N -1 0 310.387 -0.048 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCNC(=O)C1CC2(CC2)C1 ZINC001293474556 805426808 /nfs/dbraw/zinc/42/68/08/805426808.db2.gz ZQYYRQSKWPCKKC-UHFFFAOYSA-N -1 0 323.353 -0.498 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1nccc(OC)c1F ZINC000830286116 805429064 /nfs/dbraw/zinc/42/90/64/805429064.db2.gz QVGSZIYXLLUVBO-UHFFFAOYSA-N -1 0 315.301 -0.070 20 0 DBADRM Cc1nc(N(C)C)nc(N(C)CCN2CCN(C(=O)[O-])CC2)n1 ZINC000830766069 805439458 /nfs/dbraw/zinc/43/94/58/805439458.db2.gz YOBOOMAVULINJJ-UHFFFAOYSA-N -1 0 323.401 -0.022 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000830790087 805441194 /nfs/dbraw/zinc/44/11/94/805441194.db2.gz NEVMKHOEMGTOHU-WRWORJQWSA-N -1 0 307.272 -0.066 20 0 DBADRM CN1CC[C@@H](NC(=O)C(=O)Nc2sccc2C(=O)[O-])C1=O ZINC000830929401 805443165 /nfs/dbraw/zinc/44/31/65/805443165.db2.gz ZMSSNDMRQGBGRQ-SSDOTTSWSA-N -1 0 311.319 -0.268 20 0 DBADRM CN(C)c1noc(C[N-]S(=O)(=O)c2c[nH]nc2Cl)n1 ZINC000831140004 805447342 /nfs/dbraw/zinc/44/73/42/805447342.db2.gz GZRLKHLRLNOBRN-UHFFFAOYSA-N -1 0 306.735 -0.009 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@H](O)C1CCOCC1 ZINC000831622477 805459904 /nfs/dbraw/zinc/45/99/04/805459904.db2.gz VHLUMEDFAHDGPT-MNOVXSKESA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@@H]2Cn2cncn2)C1 ZINC000832049495 805470464 /nfs/dbraw/zinc/47/04/64/805470464.db2.gz GFPWPXPBEIPLCE-GHMZBOCLSA-N -1 0 309.326 -0.352 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@H]2Cn2cncn2)C1 ZINC000832049498 805472251 /nfs/dbraw/zinc/47/22/51/805472251.db2.gz GFPWPXPBEIPLCE-WDEREUQCSA-N -1 0 309.326 -0.352 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N(C)CCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001294222323 805472867 /nfs/dbraw/zinc/47/28/67/805472867.db2.gz DYHIUHKATYDSTR-DTWKUNHWSA-N -1 0 311.342 -0.690 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(C(=O)NCc2nnnn2C2CC2)C1 ZINC000832589251 805484974 /nfs/dbraw/zinc/48/49/74/805484974.db2.gz ILRUETTXSQVHOI-QMMMGPOBSA-N -1 0 309.330 -0.193 20 0 DBADRM CCN(CCCNC(=O)C1CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001294373343 805485470 /nfs/dbraw/zinc/48/54/70/805485470.db2.gz FBLOUYPZEBKVPA-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM COCCOCCc1ncc(C(=O)NCc2n[nH]c(=O)[n-]2)[nH]1 ZINC001294475951 805489294 /nfs/dbraw/zinc/48/92/94/805489294.db2.gz VSNOBUCLDRKHAB-UHFFFAOYSA-N -1 0 310.314 -0.631 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000832735526 805489602 /nfs/dbraw/zinc/48/96/02/805489602.db2.gz GRJBZRCPRZRRNY-LBPRGKRZSA-N -1 0 305.334 -0.171 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cccn1CCN1CCOCC1 ZINC000832749114 805490099 /nfs/dbraw/zinc/49/00/99/805490099.db2.gz NRTCJJJMAMVDFZ-UHFFFAOYSA-N -1 0 310.354 -0.772 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1nn2c(c1Br)CCC2 ZINC000832741807 805490124 /nfs/dbraw/zinc/49/01/24/805490124.db2.gz ZBCCAIJYMCZIAN-UHFFFAOYSA-N -1 0 317.143 -0.001 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cc1c(Br)cnn1C ZINC000832741516 805490173 /nfs/dbraw/zinc/49/01/73/805490173.db2.gz RQJNSKSJBSSYJD-UHFFFAOYSA-N -1 0 305.132 -0.481 20 0 DBADRM CCC(CC)[C@@H](C(=O)NCC(=O)[N-]OC)N1CCOCC1 ZINC000832766507 805490433 /nfs/dbraw/zinc/49/04/33/805490433.db2.gz KNMXIJHKGIBNGJ-ZDUSSCGKSA-N -1 0 301.387 -0.083 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000832773578 805491608 /nfs/dbraw/zinc/49/16/08/805491608.db2.gz VBHZDBYPJSUWNU-UHFFFAOYSA-N -1 0 307.228 -0.339 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000832773540 805491824 /nfs/dbraw/zinc/49/18/24/805491824.db2.gz SRFPWDQPUVJRCN-NSHDSACASA-N -1 0 323.374 -0.005 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCN1C(=O)COc2ccccc21 ZINC000832776264 805492717 /nfs/dbraw/zinc/49/27/17/805492717.db2.gz MCCFXULBIAJUPN-UHFFFAOYSA-N -1 0 307.306 -0.404 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(CC(=O)NCCCN2CCCC2=O)C1 ZINC000833104505 805494113 /nfs/dbraw/zinc/49/41/13/805494113.db2.gz CMJFXDHQDOJACH-CQSZACIVSA-N -1 0 315.345 -0.386 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@H](C)CC(=O)[O-])CC2)n1C ZINC000833018420 805494277 /nfs/dbraw/zinc/49/42/77/805494277.db2.gz STTYFHFRDPHIEQ-SNVBAGLBSA-N -1 0 309.370 -0.121 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)NCC(=O)NC1CC1 ZINC000833108682 805494327 /nfs/dbraw/zinc/49/43/27/805494327.db2.gz QGPWRQABHMFIJW-UHFFFAOYSA-N -1 0 311.319 -0.220 20 0 DBADRM Cn1cc([C@@H]2CN(CN3C[C@H](NC(=O)[O-])CC3=O)CCO2)cn1 ZINC000833948001 805496120 /nfs/dbraw/zinc/49/61/20/805496120.db2.gz RLRRFHFZETVQHC-NEPJUHHUSA-N -1 0 323.353 -0.381 20 0 DBADRM COC(=O)CCN1CCN(C(=O)NCCNC(=O)[O-])[C@H](C)C1 ZINC000833878593 805496235 /nfs/dbraw/zinc/49/62/35/805496235.db2.gz IKPQJNUIEACVBI-SNVBAGLBSA-N -1 0 316.358 -0.467 20 0 DBADRM CO[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1CCCC1 ZINC000834324639 805497680 /nfs/dbraw/zinc/49/76/80/805497680.db2.gz DMOVRRAWLPWXIY-LLVKDONJSA-N -1 0 306.384 -0.226 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1csc(Cl)n1 ZINC000834325193 805498647 /nfs/dbraw/zinc/49/86/47/805498647.db2.gz ZKQIWKCBFSAEBP-UHFFFAOYSA-N -1 0 311.772 -0.008 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cc(Br)n[nH]1 ZINC000834698114 805514681 /nfs/dbraw/zinc/51/46/81/805514681.db2.gz VXEJRWUNGFBOKR-UHFFFAOYSA-N -1 0 302.088 -0.179 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccn1 ZINC000835297284 805521003 /nfs/dbraw/zinc/52/10/03/805521003.db2.gz YVCGCWNWDMCEHP-DTWKUNHWSA-N -1 0 316.335 -0.144 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000835743793 805521725 /nfs/dbraw/zinc/52/17/25/805521725.db2.gz JKZJXKKZRLICPF-VWYCJHECSA-N -1 0 318.395 -0.274 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)S(C)(=O)=O ZINC000835747769 805522287 /nfs/dbraw/zinc/52/22/87/805522287.db2.gz WGMBMICXGWMODA-UTLUCORTSA-N -1 0 324.424 -0.488 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cn1 ZINC000836042039 805523658 /nfs/dbraw/zinc/52/36/58/805523658.db2.gz PQTOWWNGLCQJDP-JTQLQIEISA-N -1 0 317.342 -0.254 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCC(C)(C)C(=O)[O-])cn1 ZINC000836718606 805528180 /nfs/dbraw/zinc/52/81/80/805528180.db2.gz WZVPORRCZIARJB-UHFFFAOYSA-N -1 0 315.351 -0.170 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000836897163 805529853 /nfs/dbraw/zinc/52/98/53/805529853.db2.gz DLSDGJAQPOYAEI-VXGBXAGGSA-N -1 0 312.370 -0.033 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1c[nH]nc1Cl)C(=O)[O-] ZINC000837297921 805532699 /nfs/dbraw/zinc/53/26/99/805532699.db2.gz UUZYPJVABOBWIF-SCSAIBSYSA-N -1 0 311.703 -0.642 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000837287257 805533009 /nfs/dbraw/zinc/53/30/09/805533009.db2.gz WKPLORZEDQBJBB-LLVKDONJSA-N -1 0 301.320 -0.048 20 0 DBADRM C[C@@H](NC(=O)c1cc(=O)[nH][n-]1)C(=O)NCCc1ccccc1 ZINC000837256594 805533019 /nfs/dbraw/zinc/53/30/19/805533019.db2.gz KMKRBZHKCKUXFP-SNVBAGLBSA-N -1 0 302.334 -0.274 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC000838799945 805546066 /nfs/dbraw/zinc/54/60/66/805546066.db2.gz IOSVWNQWASJKQH-QMMMGPOBSA-N -1 0 322.383 -0.454 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C(C)C)N1CCCC1=O ZINC000838800496 805546134 /nfs/dbraw/zinc/54/61/34/805546134.db2.gz GGLPSEXJSBICIZ-NSHDSACASA-N -1 0 320.367 -0.748 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)Cc1cccc(OC)c1 ZINC000838801790 805546152 /nfs/dbraw/zinc/54/61/52/805546152.db2.gz CULCPHMUANBGLE-UHFFFAOYSA-N -1 0 301.320 -0.143 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)[C@@H](C)CC ZINC000838845240 805546552 /nfs/dbraw/zinc/54/65/52/805546552.db2.gz AVXLRTHYUHDTRI-KWQFWETISA-N -1 0 322.383 -0.454 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]1CCCCO1 ZINC000838805762 805546817 /nfs/dbraw/zinc/54/68/17/805546817.db2.gz CFVDIBAFTCGQSA-ZJUUUORDSA-N -1 0 323.367 -0.420 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CSCCS1 ZINC000838844872 805546833 /nfs/dbraw/zinc/54/68/33/805546833.db2.gz DUWFBDCBMAHUGZ-ZETCQYMHSA-N -1 0 313.422 -0.156 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CNC(=O)OC ZINC000838891518 805547846 /nfs/dbraw/zinc/54/78/46/805547846.db2.gz ZXQHDROJWNXZLX-QMMMGPOBSA-N -1 0 324.355 -0.480 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)OC)C(C)C ZINC000838850692 805548107 /nfs/dbraw/zinc/54/81/07/805548107.db2.gz PEJYQLNZOKDPQY-VIFPVBQESA-N -1 0 324.355 -0.624 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CN(C)C(C)=O ZINC000838890956 805548249 /nfs/dbraw/zinc/54/82/49/805548249.db2.gz WTMWZEVMHWNVFY-SNVBAGLBSA-N -1 0 322.383 -0.358 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H]1COCCO1 ZINC000838889133 805548544 /nfs/dbraw/zinc/54/85/44/805548544.db2.gz NCEWRLQLKJJQBP-UWVGGRQHSA-N -1 0 323.367 -0.420 20 0 DBADRM CC(C)=CC(=O)NC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001295415012 805553078 /nfs/dbraw/zinc/55/30/78/805553078.db2.gz UTBWZKFURJPKGN-VIFPVBQESA-N -1 0 308.338 -0.313 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)C(=O)[N-]OC/C=C\Cl)cn1 ZINC001324612111 806992068 /nfs/dbraw/zinc/99/20/68/806992068.db2.gz QGYUQSAVRLMARD-IHWYPQMZSA-N -1 0 315.717 -0.632 20 0 DBADRM COc1ccccc1CO[N-]C(=O)C(=O)NCc1ncn(C)n1 ZINC001324860116 807011423 /nfs/dbraw/zinc/01/14/23/807011423.db2.gz LSZXFABVTWXATG-UHFFFAOYSA-N -1 0 319.321 -0.312 20 0 DBADRM CCn1ncn([N-]C(=O)c2c(C)oc3nc[nH]c(=O)c32)c1=O ZINC001325022323 807024812 /nfs/dbraw/zinc/02/48/12/807024812.db2.gz CCEAWVHBWMYXPY-UHFFFAOYSA-N -1 0 304.266 -0.001 20 0 DBADRM CN(C(=O)C(=O)NCCOCC(=O)[O-])C1Cc2ccccc2C1 ZINC000884475011 807050886 /nfs/dbraw/zinc/05/08/86/807050886.db2.gz UIWJBRNKCXPXNI-UHFFFAOYSA-N -1 0 320.345 -0.170 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CC=C(C(F)(F)F)CC1 ZINC000884476626 807050924 /nfs/dbraw/zinc/05/09/24/807050924.db2.gz WFOJNIAAAUDELM-UHFFFAOYSA-N -1 0 324.255 -0.075 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)[C@@H]1CCCOC1 ZINC000885750227 807104198 /nfs/dbraw/zinc/10/41/98/807104198.db2.gz LYIWHXCKTNGRBQ-ZJUUUORDSA-N -1 0 314.429 -0.010 20 0 DBADRM C[C@@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])c1ncnn1C ZINC001325861174 807111326 /nfs/dbraw/zinc/11/13/26/807111326.db2.gz AGUYFMKECKRKAT-MRVPVSSYSA-N -1 0 311.342 -0.391 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1ccoc1CC(N)=O ZINC001325894223 807114671 /nfs/dbraw/zinc/11/46/71/807114671.db2.gz ZDSGQZKMJFEZRY-UHFFFAOYSA-N -1 0 318.351 -0.206 20 0 DBADRM O=C(c1cccc(F)c1[O-])N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000886196782 807123670 /nfs/dbraw/zinc/12/36/70/807123670.db2.gz BSRQPBREWUVSRW-MRVPVSSYSA-N -1 0 315.326 -0.494 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001326029488 807134962 /nfs/dbraw/zinc/13/49/62/807134962.db2.gz ZKOCCVUXVDCSIZ-SNVBAGLBSA-N -1 0 315.370 -0.651 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([C@@H]3CCCO3)C2)C1 ZINC000887052279 807146809 /nfs/dbraw/zinc/14/68/09/807146809.db2.gz QJCPJZUFPOXNAH-TUAOUCFPSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC000887052217 807146829 /nfs/dbraw/zinc/14/68/29/807146829.db2.gz ONEGOXUDUFNCGU-DDIVZENXSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([C@H]3CCCO3)C2)C1 ZINC000887052277 807147053 /nfs/dbraw/zinc/14/70/53/807147053.db2.gz QJCPJZUFPOXNAH-IJLUTSLNSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1C[C@@H]2CSC[C@@H]2C1)C(=O)[O-] ZINC000887052232 807147095 /nfs/dbraw/zinc/14/70/95/807147095.db2.gz OZWHDWGPZWFYOK-BBBLOLIVSA-N -1 0 300.380 -0.013 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC001326117041 807147605 /nfs/dbraw/zinc/14/76/05/807147605.db2.gz MFVCNLIOXNZRPK-UHFFFAOYSA-N -1 0 320.305 -0.255 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC001326140027 807152329 /nfs/dbraw/zinc/15/23/29/807152329.db2.gz MLHXNKMVSXHXEX-VIFPVBQESA-N -1 0 317.411 -0.087 20 0 DBADRM O=C(C[C@@]1(C(=O)[O-])CCOC1)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000887318024 807155010 /nfs/dbraw/zinc/15/50/10/807155010.db2.gz YQOLBCXJJXNENT-ABAIWWIYSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC000887325375 807155740 /nfs/dbraw/zinc/15/57/40/807155740.db2.gz NMPVRRPZNUQQPU-SNVBAGLBSA-N -1 0 304.368 -0.265 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@](F)(CO)C2)CC1 ZINC001326200751 807160335 /nfs/dbraw/zinc/16/03/35/807160335.db2.gz RNUGIJQPQVNTDZ-AWEZNQCLSA-N -1 0 316.329 -0.367 20 0 DBADRM Cn1ccnc1CNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001326239756 807163188 /nfs/dbraw/zinc/16/31/88/807163188.db2.gz JKHWGNJPVLCOMY-UHFFFAOYSA-N -1 0 308.338 -0.250 20 0 DBADRM Cn1cc(CCCNC(=O)C(=O)[N-]OC[C@H]2CCOC2)cn1 ZINC001326377932 807175186 /nfs/dbraw/zinc/17/51/86/807175186.db2.gz OZBVHQWBCGCWIO-LBPRGKRZSA-N -1 0 310.354 -0.447 20 0 DBADRM COCCCn1ccc(NC(=O)C(=O)NCCCC(=O)[O-])n1 ZINC001326501028 807187690 /nfs/dbraw/zinc/18/76/90/807187690.db2.gz APLSIOPOERVKFY-UHFFFAOYSA-N -1 0 312.326 -0.161 20 0 DBADRM C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ncnn1C ZINC001326548237 807193479 /nfs/dbraw/zinc/19/34/79/807193479.db2.gz VXFKQUOSPUOJMW-XHNCKOQMSA-N -1 0 309.326 -0.638 20 0 DBADRM CN1CCN(CC(=O)[N-]OCCOc2ccccc2)CC1=O ZINC000889446843 807195182 /nfs/dbraw/zinc/19/51/82/807195182.db2.gz WMWLKMDUAXYOTD-UHFFFAOYSA-N -1 0 307.350 -0.113 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC001326630508 807199221 /nfs/dbraw/zinc/19/92/21/807199221.db2.gz FNXPRAMDJFBUIL-SNVBAGLBSA-N -1 0 323.353 -0.902 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1nccn1C(F)F ZINC001326682528 807204862 /nfs/dbraw/zinc/20/48/62/807204862.db2.gz YHEDROIHTMRUTL-UHFFFAOYSA-N -1 0 319.268 -0.922 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1COCc2ccccc21 ZINC001326690626 807205469 /nfs/dbraw/zinc/20/54/69/807205469.db2.gz ZRKOSIPUVMCYEE-LBPRGKRZSA-N -1 0 321.333 -0.442 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1COCc2ccccc21 ZINC001326690624 807206034 /nfs/dbraw/zinc/20/60/34/807206034.db2.gz ZRKOSIPUVMCYEE-GFCCVEGCSA-N -1 0 321.333 -0.442 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NC[C@H](c1ccco1)N(C)C)C(=O)[O-] ZINC001326848207 807218404 /nfs/dbraw/zinc/21/84/04/807218404.db2.gz XTEJHXSHPDSQPU-VHSXEESVSA-N -1 0 311.338 -0.165 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CCCN(CCF)C1 ZINC000898491395 807223954 /nfs/dbraw/zinc/22/39/54/807223954.db2.gz MHUNGLSJZYKZPI-SNVBAGLBSA-N -1 0 322.344 -0.379 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC001327033193 807235097 /nfs/dbraw/zinc/23/50/97/807235097.db2.gz MWLOEDBXBVGMJI-NEPJUHHUSA-N -1 0 323.752 -0.009 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC001327033194 807235618 /nfs/dbraw/zinc/23/56/18/807235618.db2.gz MWLOEDBXBVGMJI-NWDGAFQWSA-N -1 0 323.752 -0.009 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H](COC)[C@H]1CCCOC1 ZINC000898748814 807235717 /nfs/dbraw/zinc/23/57/17/807235717.db2.gz GKURRTIGFVPINK-QWRGUYRKSA-N -1 0 304.343 -0.762 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)C[C@@H]1CCCOC1 ZINC001327039228 807236308 /nfs/dbraw/zinc/23/63/08/807236308.db2.gz VAQIRCBXAQBTTQ-JTQLQIEISA-N -1 0 301.343 -0.945 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H](COC)[C@H]1CCCOC1 ZINC000898753011 807236422 /nfs/dbraw/zinc/23/64/22/807236422.db2.gz XBWJHRAAMHLJHQ-NWDGAFQWSA-N -1 0 318.370 -0.372 20 0 DBADRM Cc1cnc2c(C(=O)[N-]N3C(=O)[C@H](C)N(C)C3=O)cnn2c1 ZINC000899043454 807245546 /nfs/dbraw/zinc/24/55/46/807245546.db2.gz XUBDJKLTYHMHKG-QMMMGPOBSA-N -1 0 302.294 -0.035 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CCCOCC2)C[C@@H]1C(=O)[O-] ZINC000899557146 807263220 /nfs/dbraw/zinc/26/32/20/807263220.db2.gz MSXWYXOQVNNXER-QWRGUYRKSA-N -1 0 306.384 -0.004 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCCOCC2)C1 ZINC000899565678 807263460 /nfs/dbraw/zinc/26/34/60/807263460.db2.gz IVHCXJKIQRBLJW-LBPRGKRZSA-N -1 0 322.383 -0.623 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCCOCC2)CC[C@@H]1C(=O)[O-] ZINC000899566423 807263629 /nfs/dbraw/zinc/26/36/29/807263629.db2.gz RQQAKBPVYIUDNL-QWRGUYRKSA-N -1 0 306.384 -0.004 20 0 DBADRM CCN([C@H](C)C(=O)[O-])S(=O)(=O)CCCN1CCOCC1 ZINC000899564871 807263753 /nfs/dbraw/zinc/26/37/53/807263753.db2.gz ROBKWVDLRIHKBT-LLVKDONJSA-N -1 0 308.400 -0.167 20 0 DBADRM COC[C@@H]1CCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC000899582572 807264536 /nfs/dbraw/zinc/26/45/36/807264536.db2.gz DDXCMSLFDHVTKL-LLVKDONJSA-N -1 0 304.343 -0.218 20 0 DBADRM CN(C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000899938609 807277701 /nfs/dbraw/zinc/27/77/01/807277701.db2.gz SMVCIOSCNKUKRU-IMSYWVGJSA-N -1 0 302.352 -0.512 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCCN1CCCC1=O ZINC001327445448 807284158 /nfs/dbraw/zinc/28/41/58/807284158.db2.gz TVVRNQCRAPEGRI-UHFFFAOYSA-N -1 0 320.305 -0.543 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC001327479612 807289320 /nfs/dbraw/zinc/28/93/20/807289320.db2.gz MQUJPQRWBKLDEV-MRVPVSSYSA-N -1 0 311.294 -0.629 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)Cc1cccs1 ZINC001327493441 807292684 /nfs/dbraw/zinc/29/26/84/807292684.db2.gz RDAOLCQQVHVPNW-VIFPVBQESA-N -1 0 313.379 -0.021 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC001327526571 807298951 /nfs/dbraw/zinc/29/89/51/807298951.db2.gz PJAQCHCWZMAAHH-QWRGUYRKSA-N -1 0 313.354 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)C1CCOCC1 ZINC001327526257 807299182 /nfs/dbraw/zinc/29/91/82/807299182.db2.gz LSAFXPKXMFWYIO-VIFPVBQESA-N -1 0 301.343 -0.898 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CCOC(C)(C)C1 ZINC001327546308 807301785 /nfs/dbraw/zinc/30/17/85/807301785.db2.gz CCKZNYCCSQVJCN-SNVBAGLBSA-N -1 0 315.370 -0.508 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)[C@](C)(OC)C(=O)[O-])CC1 ZINC001327591998 807308599 /nfs/dbraw/zinc/30/85/99/807308599.db2.gz HSTFTUJKNRZTFY-AWEZNQCLSA-N -1 0 315.370 -0.854 20 0 DBADRM O=C([O-])C1(NC(=O)CC(=O)NCC(F)(F)F)CCOCC1 ZINC001327600406 807310723 /nfs/dbraw/zinc/31/07/23/807310723.db2.gz YRLFSDOAOWYZDL-UHFFFAOYSA-N -1 0 312.244 -0.195 20 0 DBADRM CO[N-]C(=O)CNC(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1 ZINC000900701721 807321742 /nfs/dbraw/zinc/32/17/42/807321742.db2.gz SWFIFSLVMUHASF-UWVGGRQHSA-N -1 0 302.327 -0.519 20 0 DBADRM Cc1cccc(S(=O)(=O)[N-]C(=O)CN2CCNCC2=O)c1 ZINC000901010540 807340041 /nfs/dbraw/zinc/34/00/41/807340041.db2.gz LFYWNCVFRRMUFP-UHFFFAOYSA-N -1 0 311.363 -0.768 20 0 DBADRM O=C(c1ncnc2[nH]ccc21)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001327923097 807355697 /nfs/dbraw/zinc/35/56/97/807355697.db2.gz KTOPMXMNDNOHEA-MRVPVSSYSA-N -1 0 300.282 -0.364 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)CN2C(=O)CNC2=O)n1 ZINC001327944827 807360917 /nfs/dbraw/zinc/36/09/17/807360917.db2.gz HRVSHQNQERBTOY-UHFFFAOYSA-N -1 0 309.282 -0.807 20 0 DBADRM CN1C(=O)CN(CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C1=O ZINC000901574499 807364392 /nfs/dbraw/zinc/36/43/92/807364392.db2.gz HCEQNFVCPVWQOG-JTQLQIEISA-N -1 0 311.338 -0.016 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@]2(C3CCCC3)CCNC2=O)CCO1 ZINC000901451707 807364500 /nfs/dbraw/zinc/36/45/00/807364500.db2.gz KPUVRAHFVBNYCT-IAQYHMDHSA-N -1 0 310.350 -0.005 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2=O)cn1 ZINC000901440665 807364766 /nfs/dbraw/zinc/36/47/66/807364766.db2.gz YGDGRZIYJSYZRK-ZJUUUORDSA-N -1 0 306.322 -0.294 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)Cc2ccccc2C(=O)[O-])CCO1 ZINC000901622154 807365086 /nfs/dbraw/zinc/36/50/86/807365086.db2.gz FJQQZMZCWOXTHS-LBPRGKRZSA-N -1 0 306.318 -0.099 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC000901648127 807365233 /nfs/dbraw/zinc/36/52/33/807365233.db2.gz QVFNUSNWVFLMMA-NXEZZACHSA-N -1 0 308.338 -0.048 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000901637041 807365352 /nfs/dbraw/zinc/36/53/52/807365352.db2.gz MNKICYVZRQTYFW-AWEZNQCLSA-N -1 0 320.345 -0.001 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)C2(C(=O)[O-])CCSCC2)CCO1 ZINC000901623026 807365388 /nfs/dbraw/zinc/36/53/88/807365388.db2.gz KPTZTSPZIWOUIB-VIFPVBQESA-N -1 0 316.379 -0.442 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N(C)c1ccc(N2CCOCC2)nc1 ZINC000901616952 807365568 /nfs/dbraw/zinc/36/55/68/807365568.db2.gz GVWXDHVYXLTDQH-GFCCVEGCSA-N -1 0 309.322 -0.019 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2CCN3C(=O)NC[C@H]3C2)CO1 ZINC000901846995 807365971 /nfs/dbraw/zinc/36/59/71/807365971.db2.gz DWZKSLDPTFTLLO-OUAUKWLOSA-N -1 0 311.338 -0.508 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(c2nc(C)ns2)CC1 ZINC000901727970 807366046 /nfs/dbraw/zinc/36/60/46/807366046.db2.gz VVJPZSQDACCJLV-MRVPVSSYSA-N -1 0 300.340 -0.405 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCCN(c2nc(C)ns2)CC1 ZINC000901740750 807366055 /nfs/dbraw/zinc/36/60/55/807366055.db2.gz NIYPBKRHVTWTKI-VIFPVBQESA-N -1 0 314.367 -0.015 20 0 DBADRM C[C@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1C(=O)[O-] ZINC000901699271 807366387 /nfs/dbraw/zinc/36/63/87/807366387.db2.gz NBWQEQRLRMSUSK-WDEREUQCSA-N -1 0 318.395 -0.019 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N(C)CC(=O)NCc1cccs1 ZINC000901719658 807366407 /nfs/dbraw/zinc/36/64/07/807366407.db2.gz JKYIHOYQJZCCIN-SNVBAGLBSA-N -1 0 300.336 -0.078 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2=O)cn1 ZINC000901912827 807367156 /nfs/dbraw/zinc/36/71/56/807367156.db2.gz UHNDAPWBJVEOKK-GHMZBOCLSA-N -1 0 306.322 -0.294 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000901901173 807367198 /nfs/dbraw/zinc/36/71/98/807367198.db2.gz PRBVUXJIAYXVOB-VPJDZLOFSA-N -1 0 310.350 -0.007 20 0 DBADRM Cn1cc(N2CCN(C(=O)c3cc(C(=O)[O-])nn3C)CC2)cn1 ZINC000901922187 807367333 /nfs/dbraw/zinc/36/73/33/807367333.db2.gz GSCVKSCKSGBEEM-UHFFFAOYSA-N -1 0 318.337 -0.186 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000902059952 807367875 /nfs/dbraw/zinc/36/78/75/807367875.db2.gz FKAGRQDFQTZOQF-DFXSIXFXSA-N -1 0 312.347 -0.407 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)COCC(F)F)C1=O ZINC000902421220 807372372 /nfs/dbraw/zinc/37/23/72/807372372.db2.gz GRXDQEYXJCHRJX-MRVPVSSYSA-N -1 0 308.281 -0.150 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)C1 ZINC000902544341 807375281 /nfs/dbraw/zinc/37/52/81/807375281.db2.gz ZYUCKDIDZFBTGT-IRCOFANPSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1)C1CC1 ZINC000902628575 807378680 /nfs/dbraw/zinc/37/86/80/807378680.db2.gz YHMCYMAQRJNDDM-DCAQKATOSA-N -1 0 301.364 -0.010 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cnn(CC3CC3)c2)CC1 ZINC000902773623 807381525 /nfs/dbraw/zinc/38/15/25/807381525.db2.gz VXJQYNLNFQNYDR-UHFFFAOYSA-N -1 0 306.322 -0.338 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ncc3ccccn32)CC1 ZINC000902773704 807381534 /nfs/dbraw/zinc/38/15/34/807381534.db2.gz WUDFNVSDKAHFBC-UHFFFAOYSA-N -1 0 302.290 -0.297 20 0 DBADRM CC(=O)N1CCCC[C@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000902776251 807381623 /nfs/dbraw/zinc/38/16/23/807381623.db2.gz MMQAIUOHDRHYCN-NSHDSACASA-N -1 0 311.338 -0.857 20 0 DBADRM Cc1cn2c(n1)C[C@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)CC2 ZINC000902773632 807381669 /nfs/dbraw/zinc/38/16/69/807381669.db2.gz VZUYJVADCFZAAX-LLVKDONJSA-N -1 0 320.349 -0.491 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ccnn2C(F)F)CC1 ZINC000902772464 807381731 /nfs/dbraw/zinc/38/17/31/807381731.db2.gz RXPKRLPAKMIOQH-UHFFFAOYSA-N -1 0 302.237 -0.353 20 0 DBADRM Cc1ccn([C@@H](C)CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC000902771363 807381983 /nfs/dbraw/zinc/38/19/83/807381983.db2.gz DNGXOWZXDXCJSW-NSHDSACASA-N -1 0 308.338 -0.102 20 0 DBADRM Cc1cn(C)nc1CN1c2c(cnn2C)C([O-])=CS1(=O)=O ZINC000902833941 807382403 /nfs/dbraw/zinc/38/24/03/807382403.db2.gz RNEWDXROCJUTAX-UHFFFAOYSA-N -1 0 309.351 -0.005 20 0 DBADRM Cn1ncc2c1N(CCO[C@H]1CCOC1)S(=O)(=O)C=C2[O-] ZINC000902833559 807382925 /nfs/dbraw/zinc/38/29/25/807382925.db2.gz GYBDTHXRWSIZDQ-VIFPVBQESA-N -1 0 315.351 -0.442 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000903545962 807394884 /nfs/dbraw/zinc/39/48/84/807394884.db2.gz CWVRUQLLEKNURF-AKKLPLMASA-N -1 0 302.352 -0.454 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cn(C)nc2COC)C1=O ZINC001328288456 807407085 /nfs/dbraw/zinc/40/70/85/807407085.db2.gz HSMMLVSWCCKKIO-CYBMUJFWSA-N -1 0 309.326 -0.068 20 0 DBADRM COCC[C@@H](CO)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001328334563 807412876 /nfs/dbraw/zinc/41/28/76/807412876.db2.gz RGEYXDFKYQVPKU-QMMMGPOBSA-N -1 0 311.294 -0.768 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001328400615 807422251 /nfs/dbraw/zinc/42/22/51/807422251.db2.gz JDDZNMADDMHPOO-UHFFFAOYSA-N -1 0 313.354 -0.706 20 0 DBADRM C[C@H](NCC(=O)NCC(=O)N(C)Cc1ccccc1)C(=O)[O-] ZINC000904258658 807423077 /nfs/dbraw/zinc/42/30/77/807423077.db2.gz RDCNSLJKSPZPNB-NSHDSACASA-N -1 0 307.350 -0.176 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N(C)[C@H]1CCSC1 ZINC000904936837 807427885 /nfs/dbraw/zinc/42/78/85/807427885.db2.gz RRGMDBOZOSIHHU-JTQLQIEISA-N -1 0 318.395 -0.100 20 0 DBADRM CC(C)c1noc(CCNC(=O)C(=O)NCCCC(=O)[O-])n1 ZINC001328452218 807428371 /nfs/dbraw/zinc/42/83/71/807428371.db2.gz VVRJSTITTPXYAL-UHFFFAOYSA-N -1 0 312.326 -0.167 20 0 DBADRM O=C([O-])CCCNC(=O)COCC(=O)NCc1cccnc1 ZINC001328452566 807428460 /nfs/dbraw/zinc/42/84/60/807428460.db2.gz XQSUCHLBESQLPK-UHFFFAOYSA-N -1 0 309.322 -0.305 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001328493432 807433569 /nfs/dbraw/zinc/43/35/69/807433569.db2.gz HPWMCROIICJPJX-UHFFFAOYSA-N -1 0 324.399 -0.346 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NC1CCC(C(N)=O)CC1 ZINC001328640747 807451669 /nfs/dbraw/zinc/45/16/69/807451669.db2.gz RWCPHCVEJBFZRK-UHFFFAOYSA-N -1 0 303.384 -0.443 20 0 DBADRM CC[S@@](=O)CCNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001328729535 807461246 /nfs/dbraw/zinc/46/12/46/807461246.db2.gz PCSNUFHXXNBEFM-LJQANCHMSA-N -1 0 304.290 -0.129 20 0 DBADRM CON1CC[C@@H](n2cc(C[N-]C(=O)C(F)(F)F)nn2)C1=O ZINC000905840972 807469447 /nfs/dbraw/zinc/46/94/47/807469447.db2.gz UUHMAUKOMGVGSO-SSDOTTSWSA-N -1 0 307.232 -0.209 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)C(=O)[N-]OC[C@H]2CCOC2)C1=O ZINC001328846052 807476448 /nfs/dbraw/zinc/47/64/48/807476448.db2.gz PDNVGFPZORTAON-QWRGUYRKSA-N -1 0 313.354 -0.804 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1ncc2c(F)cccn21 ZINC000906291439 807481310 /nfs/dbraw/zinc/48/13/10/807481310.db2.gz TUAFTUFLWRTHAK-UHFFFAOYSA-N -1 0 305.273 -0.220 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1c(C(F)(F)F)cnn1C ZINC000906295118 807481484 /nfs/dbraw/zinc/48/14/84/807481484.db2.gz YPWNMXPUBBXNBO-UHFFFAOYSA-N -1 0 319.247 -0.254 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cccnc1OCC ZINC001328883880 807482937 /nfs/dbraw/zinc/48/29/37/807482937.db2.gz LJSLYBAITMCZDM-UHFFFAOYSA-N -1 0 324.337 -0.720 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCOc1cccc(C)c1 ZINC001328912407 807486976 /nfs/dbraw/zinc/48/69/76/807486976.db2.gz ZUXAEPMJKFPTKV-UHFFFAOYSA-N -1 0 323.349 -0.326 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)CCSCC ZINC001328929477 807489651 /nfs/dbraw/zinc/48/96/51/807489651.db2.gz KEOFYEDILHQVME-SECBINFHSA-N -1 0 305.400 -0.182 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC001328945644 807492254 /nfs/dbraw/zinc/49/22/54/807492254.db2.gz ALFGXYCFDUEKLT-OTYXRUKQSA-N -1 0 315.370 -0.510 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCCC(=O)N1CCCCC1 ZINC001328949060 807492385 /nfs/dbraw/zinc/49/23/85/807492385.db2.gz AQEXPILPQZKOFW-UHFFFAOYSA-N -1 0 315.370 -0.411 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@@H](OC)C12CCC2 ZINC001328963815 807495977 /nfs/dbraw/zinc/49/59/77/807495977.db2.gz DVIVIFUMTUOLKV-NXEZZACHSA-N -1 0 313.354 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@](CC)(CO)C1 ZINC001328997646 807502760 /nfs/dbraw/zinc/50/27/60/807502760.db2.gz FGUBVNTZWOJGRY-CQSZACIVSA-N -1 0 315.370 -0.819 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1cccc(F)c1 ZINC001328997651 807503820 /nfs/dbraw/zinc/50/38/20/807503820.db2.gz FLSALERHCWSPTM-UHFFFAOYSA-N -1 0 311.313 -0.032 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC001329025443 807506994 /nfs/dbraw/zinc/50/69/94/807506994.db2.gz WBVRBIZAORZCDS-VILUFWDLSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@H](CNC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2)C(=O)[O-] ZINC001329113420 807523484 /nfs/dbraw/zinc/52/34/84/807523484.db2.gz KILAGBGNPSPUMK-SSDOTTSWSA-N -1 0 305.294 -0.883 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC(C)(O)CC2)CC[C@H]1C(=O)[O-] ZINC001329161775 807531014 /nfs/dbraw/zinc/53/10/14/807531014.db2.gz BNMXZSIEDPMDFV-WDEREUQCSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907472493 807531302 /nfs/dbraw/zinc/53/13/02/807531302.db2.gz OEAQZHHWWIJGKU-ZJUUUORDSA-N -1 0 310.383 -0.173 20 0 DBADRM C=CC(=O)NCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001329238309 807542447 /nfs/dbraw/zinc/54/24/47/807542447.db2.gz IHJIUHMEXPVRCB-UHFFFAOYSA-N -1 0 312.351 -0.515 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCn3cnnc3C2)CC[C@H]1C(=O)[O-] ZINC001329235700 807542547 /nfs/dbraw/zinc/54/25/47/807542547.db2.gz KDHFHZOHUWHGSV-VHSXEESVSA-N -1 0 321.337 -0.811 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)c1c[n-]n3c1nccc3=O)CC2 ZINC001329573518 807589406 /nfs/dbraw/zinc/58/94/06/807589406.db2.gz VAUQUAPCQBSNBV-VIFPVBQESA-N -1 0 313.321 -0.333 20 0 DBADRM C[C@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)CN1CSCC1=O ZINC000908425994 807594081 /nfs/dbraw/zinc/59/40/81/807594081.db2.gz UCIAGJGGMOMJAX-QMMMGPOBSA-N -1 0 324.362 -0.155 20 0 DBADRM CO[C@@H]1CCN(C(=O)NC[C@@H]2COCCO2)[C@@H](C(=O)[O-])C1 ZINC000908689616 807602145 /nfs/dbraw/zinc/60/21/45/807602145.db2.gz VRCNNBKYGIMVQQ-GMTAPVOTSA-N -1 0 302.327 -0.325 20 0 DBADRM CC(C)CN(CC(=O)[O-])C(=O)CN(C)S(=O)(=O)N(C)C ZINC000908882386 807604546 /nfs/dbraw/zinc/60/45/46/807604546.db2.gz BDWJQZHMNMCSTQ-UHFFFAOYSA-N -1 0 309.388 -0.706 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1cc(N2CCOCC2)ccn1 ZINC000909058772 807607602 /nfs/dbraw/zinc/60/76/02/807607602.db2.gz POPQSDUWXMGKBV-ZDUSSCGKSA-N -1 0 321.333 -0.156 20 0 DBADRM Cn1nc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1OC(F)F ZINC000909058149 807607714 /nfs/dbraw/zinc/60/77/14/807607714.db2.gz ZSDSVOXURYBLGM-SSDOTTSWSA-N -1 0 305.237 -0.053 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)N2CCOC[C@H]2C(=O)[O-])[C@H]1OC ZINC000909197040 807611520 /nfs/dbraw/zinc/61/15/20/807611520.db2.gz SCPWPJHPWQALGI-UKKRHICBSA-N -1 0 302.327 -0.326 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)N(CCOC)CC(=O)[O-])[C@@H]1OC ZINC000909198651 807611706 /nfs/dbraw/zinc/61/17/06/807611706.db2.gz WIXQOUQNKLFXMM-FOGDFJRCSA-N -1 0 304.343 -0.079 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC000909309802 807613511 /nfs/dbraw/zinc/61/35/11/807613511.db2.gz OWJVRUVKTJJOPB-NSHDSACASA-N -1 0 308.331 -0.563 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000909737835 807617155 /nfs/dbraw/zinc/61/71/55/807617155.db2.gz LAQKJARXGJTQMR-VIFPVBQESA-N -1 0 307.372 -0.810 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCc2cccc(F)c2C1 ZINC001329863896 807634062 /nfs/dbraw/zinc/63/40/62/807634062.db2.gz VKSQEAXHSDFTBJ-UHFFFAOYSA-N -1 0 323.324 -0.106 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@](C)(OC)CC1 ZINC001329869066 807634694 /nfs/dbraw/zinc/63/46/94/807634694.db2.gz XHTYPISNEMBXOS-AWEZNQCLSA-N -1 0 315.370 -0.412 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@]1(OC(C)C)CCOC1 ZINC000923078209 807648420 /nfs/dbraw/zinc/64/84/20/807648420.db2.gz FOLMYJASPLQLHU-CYBMUJFWSA-N -1 0 303.359 -0.063 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN1CCCS1(=O)=O ZINC000923154071 807650585 /nfs/dbraw/zinc/65/05/85/807650585.db2.gz FQCJDXVUVQELEQ-NXEZZACHSA-N -1 0 304.368 -0.266 20 0 DBADRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)CN1CCCCS1(=O)=O ZINC000923148157 807650719 /nfs/dbraw/zinc/65/07/19/807650719.db2.gz KESOBAOBBZHHSN-MFKMUULPSA-N -1 0 316.379 -0.122 20 0 DBADRM Cc1cccc(OC[C@@H](O)CN2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000923251355 807655655 /nfs/dbraw/zinc/65/56/55/807655655.db2.gz OLZGRJJBRASHDN-ZDUSSCGKSA-N -1 0 322.361 -0.036 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@@H](O)CC(F)(F)F ZINC000923251044 807655761 /nfs/dbraw/zinc/65/57/61/807655761.db2.gz XEVDZPFBYCEPOU-NKWVEPMBSA-N -1 0 305.274 -0.517 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2CCCN2C=O)s1 ZINC001330221260 807686836 /nfs/dbraw/zinc/68/68/36/807686836.db2.gz NEOLGHSLLKWNOB-LURJTMIESA-N -1 0 319.368 -0.531 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@H]1CCC2(CCOCC2)CO1 ZINC000924001480 807710732 /nfs/dbraw/zinc/71/07/32/807710732.db2.gz RVWWXYHYCRVCOX-LLVKDONJSA-N -1 0 315.370 -0.061 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C)C(=O)[O-] ZINC001330503632 807724107 /nfs/dbraw/zinc/72/41/07/807724107.db2.gz BZLUSCWCUUJHGZ-VXNVDRBHSA-N -1 0 310.310 -0.201 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NC[C@@H]1CC[C@H](O)C1 ZINC001330506591 807725332 /nfs/dbraw/zinc/72/53/32/807725332.db2.gz PWDOYPONOCUFCN-BDAKNGLRSA-N -1 0 307.306 -0.005 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@@H]1CCCn2nccc21 ZINC001330534813 807730719 /nfs/dbraw/zinc/73/07/19/807730719.db2.gz UYZBCVYOWVKECD-GHMZBOCLSA-N -1 0 308.338 -0.082 20 0 DBADRM COC[C@H]1COCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000926275384 807756379 /nfs/dbraw/zinc/75/63/79/807756379.db2.gz AYKAMFRICSFYAO-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCO1 ZINC000926291055 807757091 /nfs/dbraw/zinc/75/70/91/807757091.db2.gz CRFYWBCXYIYQEN-ADEWGFFLSA-N -1 0 310.350 -0.197 20 0 DBADRM COC[C@@H]1COCCN1C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000926276742 807757557 /nfs/dbraw/zinc/75/75/57/807757557.db2.gz LFLZYJXSTYKSDM-VHSXEESVSA-N -1 0 302.327 -0.961 20 0 DBADRM CN(C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[C@H]1CCOC1 ZINC000926330719 807760750 /nfs/dbraw/zinc/76/07/50/807760750.db2.gz CALNHDDBJIMULV-SDDRHHMPSA-N -1 0 310.350 -0.197 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC001331090400 807769345 /nfs/dbraw/zinc/76/93/45/807769345.db2.gz QNOOWYMBAJAJPR-UHFFFAOYSA-N -1 0 318.380 -0.731 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(C(=O)O[C@H]3CCOC3)C2)C1 ZINC000926469799 807772935 /nfs/dbraw/zinc/77/29/35/807772935.db2.gz CGTBDYNOBAXDLK-MXWKQRLJSA-N -1 0 312.322 -0.081 20 0 DBADRM COCCCn1nc(C(=O)[N-]O[C@H](CO)C(C)C)ccc1=O ZINC001331206050 807778109 /nfs/dbraw/zinc/77/81/09/807778109.db2.gz VTSFAIVHSTWVKI-GFCCVEGCSA-N -1 0 313.354 -0.042 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000927207982 807783174 /nfs/dbraw/zinc/78/31/74/807783174.db2.gz VSCZYYZYABSBRI-LLVKDONJSA-N -1 0 312.370 -0.388 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000927203670 807783305 /nfs/dbraw/zinc/78/33/05/807783305.db2.gz ASLDNEWVJCJVQN-UHFFFAOYSA-N -1 0 300.359 -0.436 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H]1CCC2(CCOCC2)O1 ZINC000927190872 807783622 /nfs/dbraw/zinc/78/36/22/807783622.db2.gz QOUGFUPYCNSQRP-JTQLQIEISA-N -1 0 301.343 -0.309 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@H]1CCC2(CCOCC2)O1 ZINC000927190873 807783739 /nfs/dbraw/zinc/78/37/39/807783739.db2.gz QOUGFUPYCNSQRP-SNVBAGLBSA-N -1 0 301.343 -0.309 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(c2nc(C)cs2)CC1 ZINC000927204213 807783983 /nfs/dbraw/zinc/78/39/83/807783983.db2.gz JEKAPTXJDKAAEI-UHFFFAOYSA-N -1 0 313.383 -0.039 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000927211647 807784832 /nfs/dbraw/zinc/78/48/32/807784832.db2.gz PNKGGAXNRCQYGL-QWRGUYRKSA-N -1 0 300.359 -0.974 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H](CO)c1c(F)cccc1F ZINC000927212017 807784853 /nfs/dbraw/zinc/78/48/53/807784853.db2.gz RNOCCDPMKLQPDD-VIFPVBQESA-N -1 0 303.265 -0.025 20 0 DBADRM CCn1cc([C@@H]2CN(C(=O)NCC(=O)[N-]OC)CCO2)cn1 ZINC000927214093 807785483 /nfs/dbraw/zinc/78/54/83/807785483.db2.gz JFYWIUFYPVGCEZ-NSHDSACASA-N -1 0 311.342 -0.337 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000927213609 807785492 /nfs/dbraw/zinc/78/54/92/807785492.db2.gz DOMLBZTWJWCQMN-SNVBAGLBSA-N -1 0 301.343 -0.357 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000927214565 807785549 /nfs/dbraw/zinc/78/55/49/807785549.db2.gz OTBNKJXSOUZGBU-ZDUSSCGKSA-N -1 0 301.343 -0.357 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@H](C(=O)NC(C)C)C1 ZINC000927214616 807785656 /nfs/dbraw/zinc/78/56/56/807785656.db2.gz AYNQFHKFMHVDOA-JTQLQIEISA-N -1 0 300.359 -0.390 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)NCC(=O)[N-]OC)CCC1(F)F ZINC000927217273 807786570 /nfs/dbraw/zinc/78/65/70/807786570.db2.gz ZVCZVSKZTYZSGF-MRVPVSSYSA-N -1 0 323.296 -0.106 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CC(=O)NC[C@@H]1c1ccccc1 ZINC000927219511 807786644 /nfs/dbraw/zinc/78/66/44/807786644.db2.gz SZYSRFOGOUKFIU-LLVKDONJSA-N -1 0 306.322 -0.453 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@]1(CO)CCc2ccccc21 ZINC000927218797 807786762 /nfs/dbraw/zinc/78/67/62/807786762.db2.gz VTKATAFJWVRNRJ-HNNXBMFYSA-N -1 0 307.350 -0.160 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)c1cn(C)c2c(cnn2C)c1=O ZINC001331394583 807792257 /nfs/dbraw/zinc/79/22/57/807792257.db2.gz XACPVCGQFFITBD-NSHDSACASA-N -1 0 308.338 -0.050 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N(C)C1CCN(OC)CC1)C(=O)[O-] ZINC000927957106 807801088 /nfs/dbraw/zinc/80/10/88/807801088.db2.gz IBFNAYVIRLKDAY-JTQLQIEISA-N -1 0 315.370 -0.302 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCc2ccn(C)n2)CC[C@@H]1C(=O)[O-] ZINC001331729152 807821955 /nfs/dbraw/zinc/82/19/55/807821955.db2.gz BJVXZHOZOWWWQD-JQWIXIFHSA-N -1 0 322.365 -0.352 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCc2ccn(C)n2)CC[C@H]1C(=O)[O-] ZINC001331729154 807822282 /nfs/dbraw/zinc/82/22/82/807822282.db2.gz BJVXZHOZOWWWQD-ZYHUDNBSSA-N -1 0 322.365 -0.352 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)NCCOC1CCOCC1 ZINC000929016810 807822604 /nfs/dbraw/zinc/82/26/04/807822604.db2.gz JHQZFNCQIYKLKF-LLVKDONJSA-N -1 0 302.327 -0.323 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)NCCOCC(=O)[O-])s1 ZINC001331817629 807836657 /nfs/dbraw/zinc/83/66/57/807836657.db2.gz BPSXOVBIIXGHKP-UHFFFAOYSA-N -1 0 322.364 -0.845 20 0 DBADRM COCCOCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001331818024 807838072 /nfs/dbraw/zinc/83/80/72/807838072.db2.gz GUZDCPNVTWMJID-CQSZACIVSA-N -1 0 316.354 -0.963 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1 ZINC001331934250 807853308 /nfs/dbraw/zinc/85/33/08/807853308.db2.gz MKSRZZGNTFBAPM-ABAIWWIYSA-N -1 0 311.382 -0.234 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@H](OC)C(=O)[O-])CC1 ZINC001331948661 807854462 /nfs/dbraw/zinc/85/44/62/807854462.db2.gz DZHZZMUCHYHINZ-JQWIXIFHSA-N -1 0 315.370 -0.855 20 0 DBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@@H](OC)C(=O)[O-])CC1 ZINC001331948667 807854485 /nfs/dbraw/zinc/85/44/85/807854485.db2.gz DZHZZMUCHYHINZ-ZYHUDNBSSA-N -1 0 315.370 -0.855 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCCCS(C)(=O)=O ZINC001332058738 807867816 /nfs/dbraw/zinc/86/78/16/807867816.db2.gz WMKYJJOKTSHRLE-UHFFFAOYSA-N -1 0 312.413 -0.662 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)CC(=O)NCC(F)(F)F)CC1 ZINC001332115191 807873526 /nfs/dbraw/zinc/87/35/26/807873526.db2.gz YFVWXFIIBLVPBJ-UHFFFAOYSA-N -1 0 312.244 -0.507 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)NCCCN1CCOCC1 ZINC001332120609 807874582 /nfs/dbraw/zinc/87/45/82/807874582.db2.gz DAILWJQOJOMLKI-GFCCVEGCSA-N -1 0 317.386 -0.160 20 0 DBADRM COCCCOCC(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001332172614 807880661 /nfs/dbraw/zinc/88/06/61/807880661.db2.gz PTKRVXAHXRKNHE-NRFANRHFSA-N -1 0 321.395 -0.136 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1)C(=O)[O-] ZINC001332340053 807901685 /nfs/dbraw/zinc/90/16/85/807901685.db2.gz VDAPRKXNBSEMFM-ZJUUUORDSA-N -1 0 324.337 -0.163 20 0 DBADRM C[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])c1nnc2ccccn21 ZINC001332391029 807911180 /nfs/dbraw/zinc/91/11/80/807911180.db2.gz LPHJJBFBDRLPJC-SECBINFHSA-N -1 0 319.321 -0.113 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cc[nH]c(=O)c1 ZINC001038151307 815158467 /nfs/dbraw/zinc/15/84/67/815158467.db2.gz HAMFORIBHLXEBU-SECBINFHSA-N -1 0 304.310 -0.385 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)[N-]O[C@@H]2CCCCO2)C1=O ZINC000931316598 807915148 /nfs/dbraw/zinc/91/51/48/807915148.db2.gz DHWOAXINMBCBLM-CMPLNLGQSA-N -1 0 314.338 -0.028 20 0 DBADRM Cn1nc2ccccc2c1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001332448031 807920189 /nfs/dbraw/zinc/92/01/89/807920189.db2.gz KHZORFITBFBLRN-UHFFFAOYSA-N -1 0 316.317 -0.058 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000931679837 807934410 /nfs/dbraw/zinc/93/44/10/807934410.db2.gz ZJZOYQLEWSXENK-WDEREUQCSA-N -1 0 310.358 -0.226 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2Cc2nncn2C)c1[O-] ZINC001038170685 815160802 /nfs/dbraw/zinc/16/08/02/815160802.db2.gz LKUXJUCDOVWWQC-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM COc1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)on1 ZINC001038168500 815160880 /nfs/dbraw/zinc/16/08/80/815160880.db2.gz CJWBYIDUMWTMEQ-ZETCQYMHSA-N -1 0 308.298 -0.489 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2[C@@H](C)C(=O)N(C)C)c1[O-] ZINC001038164227 815160992 /nfs/dbraw/zinc/16/09/92/815160992.db2.gz GDUOPUBSSJOZDE-VHSXEESVSA-N -1 0 309.370 -0.295 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(F)c1[O-] ZINC000931839681 807938279 /nfs/dbraw/zinc/93/82/79/807938279.db2.gz UARKKXMDOCRPCO-NSHDSACASA-N -1 0 323.324 -0.002 20 0 DBADRM CCOCCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001332578299 807941870 /nfs/dbraw/zinc/94/18/70/807941870.db2.gz GXCXBKKZAXVENA-UHFFFAOYSA-N -1 0 317.386 -0.159 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)CCc1ccccc1 ZINC001332586336 807943954 /nfs/dbraw/zinc/94/39/54/807943954.db2.gz XBQQWQGBHPOFSY-NSHDSACASA-N -1 0 307.350 -0.082 20 0 DBADRM C[C@@H](CN(C)C(=O)CCCCCS(N)(=O)=O)c1nnn[n-]1 ZINC001332611659 807949274 /nfs/dbraw/zinc/94/92/74/807949274.db2.gz CJSKVAZLNPMILM-VIFPVBQESA-N -1 0 318.403 -0.390 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H](CC)CN1CCOCC1 ZINC000931943475 807950248 /nfs/dbraw/zinc/95/02/48/807950248.db2.gz YNGVAVBBQLVKDU-GFCCVEGCSA-N -1 0 317.386 -0.702 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1cccc(F)c1F ZINC001332699844 807968247 /nfs/dbraw/zinc/96/82/47/807968247.db2.gz VZWQAMQDGRUDJY-UHFFFAOYSA-N -1 0 315.276 -0.583 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1ncccc1O ZINC001038194612 815163540 /nfs/dbraw/zinc/16/35/40/815163540.db2.gz POBAYJDXQDPKPX-QMMMGPOBSA-N -1 0 304.310 -0.385 20 0 DBADRM Cc1nc2c(nccc2C(=O)N2CCO[C@H](c3nnn[n-]3)C2)[nH]1 ZINC001332750303 807973825 /nfs/dbraw/zinc/97/38/25/807973825.db2.gz MFZRIWLCLCLPKR-VIFPVBQESA-N -1 0 314.309 -0.007 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC001332760817 807974651 /nfs/dbraw/zinc/97/46/51/807974651.db2.gz FKWJNPWGIUMPAD-RYUDHWBXSA-N -1 0 305.334 -0.157 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H](n1cccn1)C(F)(F)F ZINC001332800278 807980651 /nfs/dbraw/zinc/98/06/51/807980651.db2.gz LZXXXXKQAHIMFK-MRVPVSSYSA-N -1 0 324.259 -0.203 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC001332800279 807980877 /nfs/dbraw/zinc/98/08/77/807980877.db2.gz LZXXXXKQAHIMFK-QMMMGPOBSA-N -1 0 324.259 -0.203 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cnc(C)cc1C ZINC001332816565 807983335 /nfs/dbraw/zinc/98/33/35/807983335.db2.gz XCZKCBVTKPLKIX-UHFFFAOYSA-N -1 0 308.338 -0.501 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1OCC ZINC001332816695 807983596 /nfs/dbraw/zinc/98/35/96/807983596.db2.gz YZMSUXGTMYFQQA-GHMZBOCLSA-N -1 0 315.370 -0.366 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC=C(C(F)(F)F)CC1 ZINC001332840428 807986687 /nfs/dbraw/zinc/98/66/87/807986687.db2.gz BKCDZOAXLDGIFR-UHFFFAOYSA-N -1 0 323.271 -0.109 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](CC)OC[C@H]1CC ZINC001332844258 807986757 /nfs/dbraw/zinc/98/67/57/807986757.db2.gz VNRFPZNIDCBZAB-GHMZBOCLSA-N -1 0 315.370 -0.414 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1cc(C2CC2)nn1C ZINC000932932887 807986946 /nfs/dbraw/zinc/98/69/46/807986946.db2.gz BMSIDZNQQBQXKS-UHFFFAOYSA-N -1 0 310.354 -0.002 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC(CC(=O)N(C)C)CC1 ZINC001332912590 807996244 /nfs/dbraw/zinc/99/62/44/807996244.db2.gz IKNSHOVPJDXIJO-UHFFFAOYSA-N -1 0 300.359 -0.436 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1cnn(CCF)c1 ZINC000933479470 808002099 /nfs/dbraw/zinc/00/20/99/808002099.db2.gz NSKQDZBJUAEXJH-UHFFFAOYSA-N -1 0 302.306 -0.447 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(C)cc1C ZINC001333091193 808014159 /nfs/dbraw/zinc/01/41/59/808014159.db2.gz MLLOIVFLPBUPAK-UHFFFAOYSA-N -1 0 307.350 -0.244 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC001333097345 808015068 /nfs/dbraw/zinc/01/50/68/808015068.db2.gz VNBOAZNHNYLPHS-GXSJLCMTSA-N -1 0 309.297 -0.408 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC001333111599 808016738 /nfs/dbraw/zinc/01/67/38/808016738.db2.gz VYIKPMAYVFHJBQ-GHMZBOCLSA-N -1 0 309.725 -0.399 20 0 DBADRM CCc1ccc(CCNC(=O)C(=O)NCC(=O)[N-]OC)cc1 ZINC001333120936 808017175 /nfs/dbraw/zinc/01/71/75/808017175.db2.gz YMKSZYCVPOGVQC-UHFFFAOYSA-N -1 0 307.350 -0.299 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC001333124456 808018398 /nfs/dbraw/zinc/01/83/98/808018398.db2.gz IPKCBOSOMOWGKH-HZMBPMFUSA-N -1 0 314.338 -0.628 20 0 DBADRM CCC(F)(F)C(C)(C)CNC(=O)C(=O)NCC(=O)[N-]OC ZINC001333137836 808020059 /nfs/dbraw/zinc/02/00/59/808020059.db2.gz QCWBBAPTGWVFNM-UHFFFAOYSA-N -1 0 309.313 -0.032 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC1Cc2ccccc2C1 ZINC001333194654 808027414 /nfs/dbraw/zinc/02/74/14/808027414.db2.gz JSIOBNCBYADHNO-UHFFFAOYSA-N -1 0 305.334 -0.689 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCOC[C@@H]2CCO)cc1=O ZINC000935125086 808036450 /nfs/dbraw/zinc/03/64/50/808036450.db2.gz SHUCVNFDOIPADM-ZDUSSCGKSA-N -1 0 311.382 -0.015 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC(Cc2cccc(C)c2)C1 ZINC001333295207 808040358 /nfs/dbraw/zinc/04/03/58/808040358.db2.gz FIXITABEPKOXJP-UHFFFAOYSA-N -1 0 319.361 -0.210 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)C(=O)Nc1ccc2c(c1)CCOC2 ZINC001333322055 808043853 /nfs/dbraw/zinc/04/38/53/808043853.db2.gz UOWHKGAGONOQNN-UHFFFAOYSA-N -1 0 317.305 -0.162 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H](C2CC2)O1 ZINC001333334956 808046107 /nfs/dbraw/zinc/04/61/07/808046107.db2.gz WWZXIRIYONXVRQ-OHBODLIOSA-N -1 0 310.350 -0.008 20 0 DBADRM O=C(CN1Cc2c(cnn2-c2ccccc2)C1=O)[N-]OCCO ZINC000935457489 808046552 /nfs/dbraw/zinc/04/65/52/808046552.db2.gz XQCCLZBPWZKRFY-UHFFFAOYSA-N -1 0 316.317 -0.132 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)[N-]OC2CCOCC2)C1=O ZINC000935454840 808046749 /nfs/dbraw/zinc/04/67/49/808046749.db2.gz AGZICGPUSJALSL-NSHDSACASA-N -1 0 314.338 -0.375 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001333346163 808047299 /nfs/dbraw/zinc/04/72/99/808047299.db2.gz GOOKAMZADCBRPQ-DDHJBXDOSA-N -1 0 310.350 -0.149 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(CCO)[C@@H](C)C2)cc1=O ZINC000935498760 808048414 /nfs/dbraw/zinc/04/84/14/808048414.db2.gz IUYMHPVUFJUZHP-ZDUSSCGKSA-N -1 0 324.425 -0.100 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000935594462 808051391 /nfs/dbraw/zinc/05/13/91/808051391.db2.gz REZGUJVKUOAPBO-MCIONIFRSA-N -1 0 314.382 -0.050 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)NCC(=O)[N-]OC)SC ZINC001333458803 808064795 /nfs/dbraw/zinc/06/47/95/808064795.db2.gz PHVGXKCYTZJHPL-UHFFFAOYSA-N -1 0 305.400 -0.182 20 0 DBADRM C[C@H](NC(=O)C(=O)NCCCC(=O)[O-])c1nnnn1C1CC1 ZINC001333613343 808081633 /nfs/dbraw/zinc/08/16/33/808081633.db2.gz CYGSEHJBITWTAR-ZETCQYMHSA-N -1 0 310.314 -0.834 20 0 DBADRM COc1cnc(C(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)C2)nc1 ZINC000938238506 808086382 /nfs/dbraw/zinc/08/63/82/808086382.db2.gz NDDUIXHSKLUOET-QMMMGPOBSA-N -1 0 317.309 -0.752 20 0 DBADRM COCc1nocc1C(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000938237915 808086973 /nfs/dbraw/zinc/08/69/73/808086973.db2.gz DJBSHZJPLJIEDS-QMMMGPOBSA-N -1 0 320.309 -0.416 20 0 DBADRM CCOc1nc(C(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)C2)co1 ZINC000938238244 808087029 /nfs/dbraw/zinc/08/70/29/808087029.db2.gz JENVBIDCNBGUHR-QMMMGPOBSA-N -1 0 320.309 -0.164 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N[C@H]2CCNC2=O)c1 ZINC001333699548 808090377 /nfs/dbraw/zinc/09/03/77/808090377.db2.gz LARHQLZMLNGSHP-JTQLQIEISA-N -1 0 305.290 -0.743 20 0 DBADRM CON1CCC(N(C)C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001333848065 808103437 /nfs/dbraw/zinc/10/34/37/808103437.db2.gz VENRSQXNEWVENU-AOOOYVTPSA-N -1 0 313.354 -0.550 20 0 DBADRM C[C@@H](NC(=O)C1CC=CC1)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001333870009 808106370 /nfs/dbraw/zinc/10/63/70/808106370.db2.gz NTZVTXJJWSBCSX-DTWKUNHWSA-N -1 0 323.353 -0.335 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC001334015356 808125898 /nfs/dbraw/zinc/12/58/98/808125898.db2.gz DZAOFUULRPXNRW-ZCFIWIBFSA-N -1 0 308.216 -0.261 20 0 DBADRM O=C(CO[C@@H]1CCOC1)N1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC000946747857 808133293 /nfs/dbraw/zinc/13/32/93/808133293.db2.gz VQWNPKXGPHCPMZ-LLVKDONJSA-N -1 0 323.353 -0.669 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)CC1=CCSC1 ZINC001334244180 808145869 /nfs/dbraw/zinc/14/58/69/808145869.db2.gz MZWPGYLDMNUMHH-UHFFFAOYSA-N -1 0 301.368 -0.698 20 0 DBADRM CCN1C[C@H](C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001038328486 815178751 /nfs/dbraw/zinc/17/87/51/815178751.db2.gz MKLXBRRONXOROD-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCS[C@H](C)C1 ZINC001334322469 808152641 /nfs/dbraw/zinc/15/26/41/808152641.db2.gz CXRVDYILMYNFIO-BDAKNGLRSA-N -1 0 303.384 -0.429 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1=O ZINC001334406129 808162147 /nfs/dbraw/zinc/16/21/47/808162147.db2.gz ZCWCETQYIVYWTM-RTHLEPHNSA-N -1 0 321.337 -0.282 20 0 DBADRM CN1C[C@H](C(=O)N2CCC(NC(=O)c3cn[nH]n3)CC2)CC1=O ZINC000947029496 808165960 /nfs/dbraw/zinc/16/59/60/808165960.db2.gz CSVYXPUHANAADC-SECBINFHSA-N -1 0 320.353 -0.996 20 0 DBADRM CCSCC[C@@H](C)N(C)C(=O)C(=O)NCC(=O)[N-]OC ZINC001334510881 808173959 /nfs/dbraw/zinc/17/39/59/808173959.db2.gz MZTDNSHNCIWENO-SECBINFHSA-N -1 0 305.400 -0.230 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)[C@H]1CCc2ccccc21 ZINC001334508063 808174140 /nfs/dbraw/zinc/17/41/40/808174140.db2.gz AWMSNOAHTNBSKH-LBPRGKRZSA-N -1 0 305.334 -0.074 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)Cn2nccn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947351714 808186152 /nfs/dbraw/zinc/18/61/52/808186152.db2.gz FENQCFFMMAUFRE-NXEZZACHSA-N -1 0 320.357 -0.729 20 0 DBADRM O=C([N-]OCCC(F)(F)F)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001334808877 808204029 /nfs/dbraw/zinc/20/40/29/808204029.db2.gz SSBIVASPTNUVPJ-LURJTMIESA-N -1 0 318.273 -0.710 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC000947606386 808206839 /nfs/dbraw/zinc/20/68/39/808206839.db2.gz CSIZRAQLKGTJNJ-CBAPKCEASA-N -1 0 320.357 -0.280 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947633183 808208965 /nfs/dbraw/zinc/20/89/65/808208965.db2.gz IVBTXCFFDLRKIK-HKLXJQGRSA-N -1 0 321.381 -0.128 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC001334990316 808220919 /nfs/dbraw/zinc/22/09/19/808220919.db2.gz XKNFFGBNFVEXHR-JBBSTSQOSA-N -1 0 321.377 -0.159 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC(C)(C)CC(F)(F)F ZINC001335002433 808221948 /nfs/dbraw/zinc/22/19/48/808221948.db2.gz JJLNFUNBVJRFOQ-UHFFFAOYSA-N -1 0 313.276 -0.125 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cnc[nH]c1=O ZINC001038387561 815186985 /nfs/dbraw/zinc/18/69/85/815186985.db2.gz SEZDHMWCLUPHOH-ZETCQYMHSA-N -1 0 305.298 -0.990 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)nn1C ZINC001335112520 808238254 /nfs/dbraw/zinc/23/82/54/808238254.db2.gz KZQAWFOVZPWVBN-CBAPKCEASA-N -1 0 309.326 -0.369 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)Cn2cncn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000948013420 808249850 /nfs/dbraw/zinc/24/98/50/808249850.db2.gz WFHZCIZVTJHFLZ-NXEZZACHSA-N -1 0 320.357 -0.729 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2ccc[nH]c2=O)CC[C@@H]1C(=O)[O-] ZINC001335215258 808255496 /nfs/dbraw/zinc/25/54/96/808255496.db2.gz CMVIPCYVOFEHII-KOLCDFICSA-N -1 0 321.333 -0.027 20 0 DBADRM CCOc1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001038397935 815189030 /nfs/dbraw/zinc/18/90/30/815189030.db2.gz LYFKFUZCDSAROI-QMMMGPOBSA-N -1 0 321.341 -0.364 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC000948100160 808265368 /nfs/dbraw/zinc/26/53/68/808265368.db2.gz PXTPOKGBEZAKHL-CBAPKCEASA-N -1 0 321.341 -0.015 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2cn(C)nn2)CC[C@H]1C(=O)[O-] ZINC001335382079 808284138 /nfs/dbraw/zinc/28/41/38/808284138.db2.gz ZQMRWDPIWSGLOK-GXSJLCMTSA-N -1 0 323.353 -0.657 20 0 DBADRM CC[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000948524421 808295008 /nfs/dbraw/zinc/29/50/08/808295008.db2.gz GJKWNCVIMCYNAR-RKDXNWHRSA-N -1 0 323.353 -0.734 20 0 DBADRM O=C(Cn1nnc(-c2ccccc2)n1)NCc1nc(=O)o[n-]1 ZINC001335573666 808298279 /nfs/dbraw/zinc/29/82/79/808298279.db2.gz SNJLNAASYNFSEE-UHFFFAOYSA-N -1 0 301.266 -0.667 20 0 DBADRM CCN1C[C@@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1=O ZINC000948619862 808307848 /nfs/dbraw/zinc/30/78/48/808307848.db2.gz TZBRECAIDWVZBK-JTQLQIEISA-N -1 0 322.369 -0.977 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)c1ccco1 ZINC000948702427 808318827 /nfs/dbraw/zinc/31/88/27/808318827.db2.gz CSLONRYYAUVALA-ZETCQYMHSA-N -1 0 319.277 -0.480 20 0 DBADRM NC(=O)CO[N-]C(=O)Cn1nc(C(F)(F)F)c2c1CCC2 ZINC001335848460 808326286 /nfs/dbraw/zinc/32/62/86/808326286.db2.gz YFSFXBOMWRNKOO-UHFFFAOYSA-N -1 0 306.244 -0.076 20 0 DBADRM CCc1n[nH]cc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038455917 815195439 /nfs/dbraw/zinc/19/54/39/815195439.db2.gz IVMGYJLRCQTBDA-QMMMGPOBSA-N -1 0 305.342 -0.200 20 0 DBADRM Cn1ccc(=O)c(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)c1 ZINC001038499562 815201431 /nfs/dbraw/zinc/20/14/31/815201431.db2.gz DAGXRNRFGMTNNP-SECBINFHSA-N -1 0 318.337 -0.787 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC([C@H]2CCCO2)CC1 ZINC001336096021 808341936 /nfs/dbraw/zinc/34/19/36/808341936.db2.gz LDYBCPIAYMNHTL-LLVKDONJSA-N -1 0 310.358 -0.254 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001336096040 808342432 /nfs/dbraw/zinc/34/24/32/808342432.db2.gz LNYOOAOVQVOVMA-LURJTMIESA-N -1 0 310.236 -0.882 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CCCO2)c1[O-] ZINC000948855033 808345423 /nfs/dbraw/zinc/34/54/23/808345423.db2.gz ONWBFQFZMYOTRP-VHSXEESVSA-N -1 0 308.338 -0.067 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1cccnc1)c1n[nH]c(=O)[n-]c1=O ZINC001038464949 815197237 /nfs/dbraw/zinc/19/72/37/815197237.db2.gz ITKBHIJLBULLDW-SNVBAGLBSA-N -1 0 316.321 -0.318 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001336136515 808346207 /nfs/dbraw/zinc/34/62/07/808346207.db2.gz HKJCAOVSIIXJOC-GHMZBOCLSA-N -1 0 310.358 -0.254 20 0 DBADRM CC[C@@]1(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCNC1=O ZINC000948858914 808346835 /nfs/dbraw/zinc/34/68/35/808346835.db2.gz XFSZPZBCJZAARA-CQSZACIVSA-N -1 0 322.369 -0.929 20 0 DBADRM Cc1nc(CN2CC[C@@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)co1 ZINC001038465078 815197602 /nfs/dbraw/zinc/19/76/02/815197602.db2.gz JNKZQVPRDKFBSN-SECBINFHSA-N -1 0 320.309 -0.416 20 0 DBADRM Cc1cc(OCC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)no1 ZINC000948876031 808350161 /nfs/dbraw/zinc/35/01/61/808350161.db2.gz ZIFPCSDPIQTVSP-UHFFFAOYSA-N -1 0 322.325 -0.470 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCC[C@H]1CC(=O)N(C)C1 ZINC001336201090 808352873 /nfs/dbraw/zinc/35/28/73/808352873.db2.gz SKVJEHCYKRSTIM-JTQLQIEISA-N -1 0 301.343 -0.945 20 0 DBADRM COC(=O)CC1CC(NC(=O)C(=O)[N-]OCCSC)C1 ZINC001336212640 808353295 /nfs/dbraw/zinc/35/32/95/808353295.db2.gz CFSDVCGHIQBRSY-UHFFFAOYSA-N -1 0 304.368 -0.145 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H]1c1cccn1C ZINC001336303216 808361184 /nfs/dbraw/zinc/36/11/84/808361184.db2.gz ZDWKUXCZQBGWBG-NSHDSACASA-N -1 0 308.338 -0.518 20 0 DBADRM Cn1ccc(=O)c(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)c1 ZINC001038499563 815201511 /nfs/dbraw/zinc/20/15/11/815201511.db2.gz DAGXRNRFGMTNNP-VIFPVBQESA-N -1 0 318.337 -0.787 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)[N-]OCCN3CCCC3=O)C2)cn1 ZINC001336570271 808392106 /nfs/dbraw/zinc/39/21/06/808392106.db2.gz LQJAVJNVOQCFGX-GFCCVEGCSA-N -1 0 321.337 -0.417 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(Cc2ccns2)CC1 ZINC000949111311 808395773 /nfs/dbraw/zinc/39/57/73/808395773.db2.gz NSEBXPXRHRCWFY-UHFFFAOYSA-N -1 0 322.350 -0.303 20 0 DBADRM Cc1nnccc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949114834 808397036 /nfs/dbraw/zinc/39/70/36/808397036.db2.gz PPQXIPVRYIICTR-UHFFFAOYSA-N -1 0 303.326 -0.433 20 0 DBADRM CC(=O)NCC1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC000949145219 808407621 /nfs/dbraw/zinc/40/76/21/808407621.db2.gz HKZCNPAVLHKVRQ-UHFFFAOYSA-N -1 0 323.353 -0.410 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC=CC1 ZINC000949188170 808416943 /nfs/dbraw/zinc/41/69/43/808416943.db2.gz PCPFCLKKLVCBAP-VIFPVBQESA-N -1 0 319.321 -0.420 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C1=CCCC1 ZINC000949369168 808445859 /nfs/dbraw/zinc/44/58/59/808445859.db2.gz LUHIRQPTHZUERH-VIFPVBQESA-N -1 0 319.321 -0.276 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CC=CC1 ZINC001337345221 808448935 /nfs/dbraw/zinc/44/89/35/808448935.db2.gz XHLYEYWQPJWCIL-VIFPVBQESA-N -1 0 323.353 -0.381 20 0 DBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949399701 808454728 /nfs/dbraw/zinc/45/47/28/808454728.db2.gz GEMOQJMYKFATSR-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@H](O)C(C)C)c1[O-] ZINC000949424556 808459085 /nfs/dbraw/zinc/45/90/85/808459085.db2.gz AIAFGCNSXGIULF-GXSJLCMTSA-N -1 0 310.354 -0.229 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2ncc[nH]2)c1[O-] ZINC000949427535 808459976 /nfs/dbraw/zinc/45/99/76/808459976.db2.gz ZGDFAEIYDURTBT-MRVPVSSYSA-N -1 0 304.310 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)Cn2cccn2)c1[O-] ZINC000949427052 808460160 /nfs/dbraw/zinc/46/01/60/808460160.db2.gz USNDVSSZMAEYCZ-SNVBAGLBSA-N -1 0 318.337 -0.349 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2nc[nH]n2)c1[O-] ZINC000949434179 808461665 /nfs/dbraw/zinc/46/16/65/808461665.db2.gz HHFXXFHKEFEPIH-ZETCQYMHSA-N -1 0 305.298 -0.814 20 0 DBADRM CCc1cc(C(=O)[N-]S(=O)(=O)CCOCCOC)nn1C ZINC001337526302 808462927 /nfs/dbraw/zinc/46/29/27/808462927.db2.gz CZBANEAVSBPHCG-UHFFFAOYSA-N -1 0 319.383 -0.295 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)C2(C)CC=CC2)c1[O-] ZINC001337609200 808473597 /nfs/dbraw/zinc/47/35/97/808473597.db2.gz GUDZYKAYOWLFKG-SNVBAGLBSA-N -1 0 322.365 -0.013 20 0 DBADRM COc1ccnc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)c1 ZINC001038593731 815213284 /nfs/dbraw/zinc/21/32/84/815213284.db2.gz PZOHUHLHILBQJX-SECBINFHSA-N -1 0 318.337 -0.082 20 0 DBADRM CCN(C(=O)c1cnns1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949733473 808527391 /nfs/dbraw/zinc/52/73/91/808527391.db2.gz YPHDPJAJPIWDJF-UHFFFAOYSA-N -1 0 309.355 -0.292 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc[n+]([O-])c1 ZINC001338381499 808538072 /nfs/dbraw/zinc/53/80/72/808538072.db2.gz GESDXBSJFJCMDV-UHFFFAOYSA-N -1 0 312.307 -0.061 20 0 DBADRM O=C(c1csc(=O)[nH]1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949771923 808538043 /nfs/dbraw/zinc/53/80/43/808538043.db2.gz IXHYPSQXVPTTON-UHFFFAOYSA-N -1 0 310.339 -0.370 20 0 DBADRM CCN(C(=O)[C@@H]1C[C@H]1C(=O)OC)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949776641 808539618 /nfs/dbraw/zinc/53/96/18/808539618.db2.gz SNGVXZPTACYXEA-NXEZZACHSA-N -1 0 323.353 -0.648 20 0 DBADRM CCN(C(=O)[C@H]1CCCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949780616 808540627 /nfs/dbraw/zinc/54/06/27/808540627.db2.gz QEMWWPQSGOTZOH-JTQLQIEISA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949782003 808541492 /nfs/dbraw/zinc/54/14/92/808541492.db2.gz HJPZVRFSNXMENT-UHFFFAOYSA-N -1 0 319.325 -0.728 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)C(=O)NCC(=O)[N-]OC)C(F)(F)F ZINC001338440472 808542468 /nfs/dbraw/zinc/54/24/68/808542468.db2.gz PFZZFVMPRMOKRU-XPUUQOCRSA-N -1 0 313.276 -0.127 20 0 DBADRM C[C@@H](C1CC1)n1cc(NC(=O)C(=O)NCc2nnn[n-]2)cn1 ZINC001338444939 808542635 /nfs/dbraw/zinc/54/26/35/808542635.db2.gz NMWQHQKYTVTHGB-ZETCQYMHSA-N -1 0 304.314 -0.378 20 0 DBADRM C[C@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cncnc1 ZINC000949837582 808553169 /nfs/dbraw/zinc/55/31/69/808553169.db2.gz QFNXWAHRKBBNSU-JTQLQIEISA-N -1 0 317.353 -0.252 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(Cc2nnn(C)n2)C1 ZINC000949900686 808561560 /nfs/dbraw/zinc/56/15/60/808561560.db2.gz OFCQLEXUKSXLDQ-UHFFFAOYSA-N -1 0 320.357 -0.706 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN([C@H]2CCNC2=O)C1 ZINC000949901534 808561853 /nfs/dbraw/zinc/56/18/53/808561853.db2.gz ZYMOQXRBYBZBHK-JTQLQIEISA-N -1 0 307.354 -0.541 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC001338722471 808564648 /nfs/dbraw/zinc/56/46/48/808564648.db2.gz AGFBLGXGTPENAV-UHFFFAOYSA-N -1 0 317.305 -0.597 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC001338724742 808565221 /nfs/dbraw/zinc/56/52/21/808565221.db2.gz TWYGWLKRPLBKPD-UHFFFAOYSA-N -1 0 313.335 -0.257 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCOC[C@@H]1CCOC1 ZINC001338782005 808567078 /nfs/dbraw/zinc/56/70/78/808567078.db2.gz OUCCFBFLCXJMLA-SNVBAGLBSA-N -1 0 321.337 -0.760 20 0 DBADRM CCN(C(=O)c1ncccc1O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949948709 808568662 /nfs/dbraw/zinc/56/86/62/808568662.db2.gz WBUDBCHNXPUHQN-UHFFFAOYSA-N -1 0 318.337 -0.043 20 0 DBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)[N-]OC[C@@H]1CCOC1 ZINC001338845783 808569641 /nfs/dbraw/zinc/56/96/41/808569641.db2.gz MGKUCKZGCCYVOI-NXEZZACHSA-N -1 0 309.409 -0.009 20 0 DBADRM CCC(=O)N1CC[C@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC000950042704 808580932 /nfs/dbraw/zinc/58/09/32/808580932.db2.gz MPULQZJNLCFRPJ-VIFPVBQESA-N -1 0 303.322 -0.237 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1csc(=O)[nH]1 ZINC001038622335 815219860 /nfs/dbraw/zinc/21/98/60/815219860.db2.gz RRLHZLGNBNOOGI-LURJTMIESA-N -1 0 310.339 -0.323 20 0 DBADRM CC1(C)CC[C@H](CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)O1 ZINC001339724304 808600433 /nfs/dbraw/zinc/60/04/33/808600433.db2.gz JRMHKPWGQQRKPO-SNVBAGLBSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCOC2CCOCC2)CCO1 ZINC001339801627 808604186 /nfs/dbraw/zinc/60/41/86/808604186.db2.gz GOKQFHQNHBMTQP-LLVKDONJSA-N -1 0 302.327 -0.323 20 0 DBADRM C[C@H](CNC(=O)NCCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC001339890631 808609061 /nfs/dbraw/zinc/60/90/61/808609061.db2.gz AFPFIEHPLZXJSJ-MRVPVSSYSA-N -1 0 314.342 -0.273 20 0 DBADRM C[C@H]1CCOCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001339939261 808610695 /nfs/dbraw/zinc/61/06/95/808610695.db2.gz KRJMZLSQQXMERO-NSHDSACASA-N -1 0 304.343 -0.075 20 0 DBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)N(C)CCC(=O)[O-] ZINC001340162575 808625881 /nfs/dbraw/zinc/62/58/81/808625881.db2.gz LCUZPKNRPXIPEC-LLVKDONJSA-N -1 0 315.370 -0.854 20 0 DBADRM COC1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1 ZINC001340493788 808639792 /nfs/dbraw/zinc/63/97/92/808639792.db2.gz CTPVDGCVFMTKSN-UHFFFAOYSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H]1CN(C(=O)NCCOCCOCC(=O)[O-])CCCO1 ZINC001340568462 808644119 /nfs/dbraw/zinc/64/41/19/808644119.db2.gz BYLVJPBCTWJWOK-NSHDSACASA-N -1 0 304.343 -0.075 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC1CCC(C(=O)NC)CC1 ZINC001341027730 808667448 /nfs/dbraw/zinc/66/74/48/808667448.db2.gz CXXVOXHKPICPCA-UHFFFAOYSA-N -1 0 315.370 -0.508 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001341052896 808668189 /nfs/dbraw/zinc/66/81/89/808668189.db2.gz WWLWNHNXQSLEMY-SECBINFHSA-N -1 0 321.341 -0.762 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001341431609 808685206 /nfs/dbraw/zinc/68/52/06/808685206.db2.gz HGXDZEJDCPNOQX-YTWAJWBKSA-N -1 0 313.354 -0.263 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)[N-]OC2CCOCC2)CCSC1 ZINC001341895323 808704746 /nfs/dbraw/zinc/70/47/46/808704746.db2.gz SKARPZLWDFNBGI-CYBMUJFWSA-N -1 0 318.395 -0.149 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCn1c2ccccc2oc1=O ZINC001341919911 808705442 /nfs/dbraw/zinc/70/54/42/808705442.db2.gz QWODOIBZFOFKIZ-UHFFFAOYSA-N -1 0 323.305 -0.595 20 0 DBADRM CN1CC(=O)N(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1=O ZINC001341950291 808707395 /nfs/dbraw/zinc/70/73/95/808707395.db2.gz JTIGXUOINZLQFH-VHSXEESVSA-N -1 0 309.322 -0.550 20 0 DBADRM CC1(C)CC(=O)C(C(=O)N[C@@H]2CCS(=O)(=O)C2)=C([O-])C1 ZINC001341997811 808709715 /nfs/dbraw/zinc/70/97/15/808709715.db2.gz VFKDUNHDZSCONR-MRVPVSSYSA-N -1 0 301.364 -0.136 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(Cc2ccon2)C1 ZINC000950766428 808710318 /nfs/dbraw/zinc/71/03/18/808710318.db2.gz GEVAOTFWUUYVEI-UHFFFAOYSA-N -1 0 320.309 -0.383 20 0 DBADRM CCN(C(=O)c1cncn1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950779390 808712103 /nfs/dbraw/zinc/71/21/03/808712103.db2.gz LSNUZDBVHIBQNW-UHFFFAOYSA-N -1 0 305.342 -0.410 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1Cc2ccccc2OC[C@@H]1C ZINC001342030861 808712587 /nfs/dbraw/zinc/71/25/87/808712587.db2.gz WDBPYDVYCXPNHE-JTQLQIEISA-N -1 0 321.333 -0.410 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC001342029580 808712611 /nfs/dbraw/zinc/71/26/11/808712611.db2.gz JOLUBJZACWSCRY-LBPRGKRZSA-N -1 0 321.333 -0.540 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC([C@@H]2CCOC2)CC1 ZINC001342030919 808712722 /nfs/dbraw/zinc/71/27/22/808712722.db2.gz WGAHHHNNLKGBNG-LLVKDONJSA-N -1 0 313.354 -0.945 20 0 DBADRM CCOC[C@@H]1CCCCN1C(=O)C(=O)NCC(=O)[N-]OC ZINC001342031192 808712770 /nfs/dbraw/zinc/71/27/70/808712770.db2.gz YSULUELDVXKPMG-JTQLQIEISA-N -1 0 301.343 -0.802 20 0 DBADRM Cc1nonc1C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC000950831782 808718434 /nfs/dbraw/zinc/71/84/34/808718434.db2.gz UMMJUBGHRARXKE-QMMMGPOBSA-N -1 0 320.309 -0.240 20 0 DBADRM C[C@H](CNC(=O)C(=O)[N-]OCCC(F)(F)F)S(C)(=O)=O ZINC001342428771 808729911 /nfs/dbraw/zinc/72/99/11/808729911.db2.gz VNVGIQLCJQUOGJ-ZCFIWIBFSA-N -1 0 320.289 -0.464 20 0 DBADRM CCN(C(=O)[C@@H]1C[C@H](C)CO1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950920430 808733441 /nfs/dbraw/zinc/73/34/41/808733441.db2.gz UOZXLTZNCOGABA-ONGXEEELSA-N -1 0 309.370 -0.032 20 0 DBADRM COCCOC[C@@H](C)NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001342655687 808738444 /nfs/dbraw/zinc/73/84/44/808738444.db2.gz AZVBTRWLKIFVIJ-MNOVXSKESA-N -1 0 304.343 -0.762 20 0 DBADRM CC1(C(=O)N2CCC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000951055437 808758554 /nfs/dbraw/zinc/75/85/54/808758554.db2.gz NFQPFEZCUBVLMU-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)C1CCCC1)c1n[nH]c(=O)[n-]c1=O ZINC000951297702 808794788 /nfs/dbraw/zinc/79/47/88/808794788.db2.gz IIXYLVUSDINUTL-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC000951298398 808794875 /nfs/dbraw/zinc/79/48/75/808794875.db2.gz XSEICOUENOXMOR-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)C1CCCC1)c1n[nH]c(=O)[n-]c1=O ZINC000951297701 808794918 /nfs/dbraw/zinc/79/49/18/808794918.db2.gz IIXYLVUSDINUTL-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM CCN(C(=O)c1cnc(C)n1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000951371783 808806980 /nfs/dbraw/zinc/80/69/80/808806980.db2.gz HYKONFZANPGULA-UHFFFAOYSA-N -1 0 319.369 -0.101 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)[C@H]1CCCCC(=O)N1 ZINC001038702832 815237619 /nfs/dbraw/zinc/23/76/19/815237619.db2.gz RLYAJEWJUAYDOF-VHSXEESVSA-N -1 0 322.369 -0.740 20 0 DBADRM CC(C)CC(=O)N1CC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951450432 808819655 /nfs/dbraw/zinc/81/96/55/808819655.db2.gz AKIFCICCPBVNGS-JTQLQIEISA-N -1 0 322.365 -0.137 20 0 DBADRM CC(C)C(=O)N1CC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951450540 808819837 /nfs/dbraw/zinc/81/98/37/808819837.db2.gz CHBFYXHXLVUDGG-SECBINFHSA-N -1 0 308.338 -0.527 20 0 DBADRM CC[C@@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951450872 808820223 /nfs/dbraw/zinc/82/02/23/808820223.db2.gz KSOBBOVIUUPJCG-NXEZZACHSA-N -1 0 322.365 -0.137 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001038711348 815239026 /nfs/dbraw/zinc/23/90/26/815239026.db2.gz UJWXQIMPVJTRNO-KXUCPTDWSA-N -1 0 322.369 -0.898 20 0 DBADRM CC1(C(=O)N[C@H]2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000951512376 808835388 /nfs/dbraw/zinc/83/53/88/808835388.db2.gz GZLPFALFQSGZOU-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000951557358 808843286 /nfs/dbraw/zinc/84/32/86/808843286.db2.gz GBHRKIMSAHKNGG-OPRDCNLKSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1ccc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)c(=O)[nH]1 ZINC001038741675 815242458 /nfs/dbraw/zinc/24/24/58/815242458.db2.gz JHSPHSZCIOWUJK-VIFPVBQESA-N -1 0 318.337 -0.076 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951599713 808859452 /nfs/dbraw/zinc/85/94/52/808859452.db2.gz BXJFHFUCIOZWDS-FXQIFTODSA-N -1 0 307.310 -0.731 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)c1[O-] ZINC000951634800 808866752 /nfs/dbraw/zinc/86/67/52/808866752.db2.gz CTQZWUXOULTFSL-QMMMGPOBSA-N -1 0 319.325 -0.424 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000951661185 808876492 /nfs/dbraw/zinc/87/64/92/808876492.db2.gz GBHRKIMSAHKNGG-GUBZILKMSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2cccnn2)c1[O-] ZINC000951794089 808903992 /nfs/dbraw/zinc/90/39/92/808903992.db2.gz BYKMRTYNTMEKAL-SECBINFHSA-N -1 0 316.321 -0.142 20 0 DBADRM CCN(C(=O)c1c[n-]n2c1nccc2=O)C1CN(CCO)C1 ZINC000952418523 808988891 /nfs/dbraw/zinc/98/88/91/808988891.db2.gz SXIFYMIAIZCRLP-UHFFFAOYSA-N -1 0 305.338 -0.839 20 0 DBADRM CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000952567831 808996118 /nfs/dbraw/zinc/99/61/18/808996118.db2.gz FQLFCAMPYQRVMO-BDAKNGLRSA-N -1 0 321.337 -0.102 20 0 DBADRM CC(=O)N1CC[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]21 ZINC000953401953 809039033 /nfs/dbraw/zinc/03/90/33/809039033.db2.gz JSFBZQPWPHQMDN-PWSUYJOCSA-N -1 0 320.349 -0.431 20 0 DBADRM CCc1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001038846037 815256923 /nfs/dbraw/zinc/25/69/23/815256923.db2.gz NZFDLZQKWSFWDU-SNVBAGLBSA-N -1 0 319.369 -0.190 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000953628869 809059548 /nfs/dbraw/zinc/05/95/48/809059548.db2.gz RKBAFDYTTGGOFL-APPZFPTMSA-N -1 0 309.326 -0.986 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H]2CCCCN2C(=O)C(N)=O)c1[O-] ZINC000953650048 809063662 /nfs/dbraw/zinc/06/36/62/809063662.db2.gz XGNXWMAFPGJYIQ-IONNQARKSA-N -1 0 323.353 -0.592 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3cnn(C)c3)C2)c1[O-] ZINC000953695418 809074122 /nfs/dbraw/zinc/07/41/22/809074122.db2.gz HMVOSZIEUJMKTN-UHFFFAOYSA-N -1 0 318.337 -0.246 20 0 DBADRM COCc1nc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)co1 ZINC001038866722 815260694 /nfs/dbraw/zinc/26/06/94/815260694.db2.gz CYTGXDNZNAWYGE-QMMMGPOBSA-N -1 0 322.325 -0.351 20 0 DBADRM COc1ccc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001038884701 815263012 /nfs/dbraw/zinc/26/30/12/815263012.db2.gz NQHZMBFBNZCNKV-MRVPVSSYSA-N -1 0 319.325 -0.687 20 0 DBADRM CN(C(=O)C1CC=CC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000953938073 809131977 /nfs/dbraw/zinc/13/19/77/809131977.db2.gz ONQMRISRJIIPMZ-UHFFFAOYSA-N -1 0 321.337 -0.675 20 0 DBADRM C[C@H](C(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000953982655 809142655 /nfs/dbraw/zinc/14/26/55/809142655.db2.gz BVGDNWZHGMJGIG-QMMMGPOBSA-N -1 0 323.353 -0.595 20 0 DBADRM CC1CC(C(=O)N(C)C2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000954013980 809144270 /nfs/dbraw/zinc/14/42/70/809144270.db2.gz GTOTZYSVWRFJAG-UHFFFAOYSA-N -1 0 323.353 -0.595 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3cnn(C)c3)C2)c1[O-] ZINC000954068776 809154765 /nfs/dbraw/zinc/15/47/65/809154765.db2.gz SCBYAVVDBLKWPR-UHFFFAOYSA-N -1 0 318.337 -0.246 20 0 DBADRM Cc1nonc1C(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000954069858 809154805 /nfs/dbraw/zinc/15/48/05/809154805.db2.gz IHRQVMFQVQLSCX-UHFFFAOYSA-N -1 0 320.309 -0.288 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1[O-] ZINC000954070977 809155476 /nfs/dbraw/zinc/15/54/76/809155476.db2.gz BHLDXBSGJAGPCD-URLYPYJESA-N -1 0 320.349 -0.401 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)Cc3cnc[nH]3)C2)c1[O-] ZINC000954071685 809155707 /nfs/dbraw/zinc/15/57/07/809155707.db2.gz UPDBSRAWTRMDES-UHFFFAOYSA-N -1 0 318.337 -0.328 20 0 DBADRM CN(C(=O)c1ncccc1O)C1CN(C(=O)C2(C(N)=O)CC2)C1 ZINC000954125334 809167639 /nfs/dbraw/zinc/16/76/39/809167639.db2.gz LBIQGVSQCNSLJX-UHFFFAOYSA-N -1 0 318.333 -0.665 20 0 DBADRM CC(=O)N1CC[C@H](C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001038969931 815274125 /nfs/dbraw/zinc/27/41/25/815274125.db2.gz GJMDIBXFJGXOMQ-QWRGUYRKSA-N -1 0 322.369 -0.931 20 0 DBADRM CC(=O)N1CC[C@@H](C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001038969929 815274586 /nfs/dbraw/zinc/27/45/86/815274586.db2.gz GJMDIBXFJGXOMQ-MNOVXSKESA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)Cn3ccnc3)C2)c1[O-] ZINC000954660233 809264480 /nfs/dbraw/zinc/26/44/80/809264480.db2.gz URMJJGWTWYKUKT-UHFFFAOYSA-N -1 0 318.337 -0.397 20 0 DBADRM CCc1ncncc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001039019147 815281542 /nfs/dbraw/zinc/28/15/42/815281542.db2.gz PNVZVTXVYZBHPB-VIFPVBQESA-N -1 0 317.353 -0.133 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954876979 809304611 /nfs/dbraw/zinc/30/46/11/809304611.db2.gz IUXCUDFEDYOGJU-JGVFFNPUSA-N -1 0 321.337 -0.388 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C=C2CCC2)C1 ZINC000954877015 809305396 /nfs/dbraw/zinc/30/53/96/809305396.db2.gz KBDRGLRDHKIXDT-UHFFFAOYSA-N -1 0 319.321 -0.324 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)/C=C/C2CC2)C1 ZINC000954933602 809311268 /nfs/dbraw/zinc/31/12/68/809311268.db2.gz DWJXVBPZQSDEHE-SNAWJCMRSA-N -1 0 321.337 -0.675 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)CC2CCC2)C1 ZINC000954933984 809311464 /nfs/dbraw/zinc/31/14/64/809311464.db2.gz OVMCVVWGYPKPMD-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C(C)(C)F)C1 ZINC000954933937 809311478 /nfs/dbraw/zinc/31/14/78/809311478.db2.gz NGCWZJSYOHSCRG-UHFFFAOYSA-N -1 0 315.305 -0.893 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954934206 809311789 /nfs/dbraw/zinc/31/17/89/809311789.db2.gz WRRHPNKKZWLYMB-APPZFPTMSA-N -1 0 309.326 -0.986 20 0 DBADRM C/C=C(/C)C(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954934204 809311812 /nfs/dbraw/zinc/31/18/12/809311812.db2.gz WPLVPUMSXWJHBI-YWEYNIOJSA-N -1 0 309.326 -0.675 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C2=CCCC2)C1 ZINC000954933872 809311817 /nfs/dbraw/zinc/31/18/17/809311817.db2.gz JXKUJCFCTWJSQG-UHFFFAOYSA-N -1 0 321.337 -0.531 20 0 DBADRM CN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(C(=O)C2CCC2)C1 ZINC000954951265 809316633 /nfs/dbraw/zinc/31/66/33/809316633.db2.gz OEUXNEMIODLDAW-UHFFFAOYSA-N -1 0 320.349 -0.431 20 0 DBADRM CN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(C(=O)C2CC2)C1 ZINC000954951353 809316911 /nfs/dbraw/zinc/31/69/11/809316911.db2.gz RNAHRTDXPMBSSP-UHFFFAOYSA-N -1 0 306.322 -0.821 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000954951269 809317219 /nfs/dbraw/zinc/31/72/19/809317219.db2.gz OGLNINHUBGWNSG-WPRPVWTQSA-N -1 0 320.349 -0.575 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1[O-] ZINC000955041678 809341758 /nfs/dbraw/zinc/34/17/58/809341758.db2.gz GAVRYUAPEQZVDL-URLYPYJESA-N -1 0 320.349 -0.401 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3ccncn3)C2)c1[O-] ZINC000955083175 809350107 /nfs/dbraw/zinc/35/01/07/809350107.db2.gz OUZUHGFLSVVWSB-UHFFFAOYSA-N -1 0 316.321 -0.190 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000955216583 809379607 /nfs/dbraw/zinc/37/96/07/809379607.db2.gz MWRJHUDHASXOIS-YUMQZZPRSA-N -1 0 321.337 -0.388 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)Cc3cnc[nH]3)C2)c1[O-] ZINC000955444975 809417954 /nfs/dbraw/zinc/41/79/54/809417954.db2.gz QUVBQNSPSFSDEP-UHFFFAOYSA-N -1 0 318.337 -0.328 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000955446220 809419197 /nfs/dbraw/zinc/41/91/97/809419197.db2.gz BHPFCDXWODNWLC-BDAKNGLRSA-N -1 0 311.342 -0.405 20 0 DBADRM C[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C1CC1 ZINC000955467675 809420953 /nfs/dbraw/zinc/42/09/53/809420953.db2.gz WXPKXFCBEXDITF-WCBMZHEXSA-N -1 0 323.353 -0.405 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC000955752203 809440764 /nfs/dbraw/zinc/44/07/64/809440764.db2.gz BGFQSAALZXRMLJ-YUMQZZPRSA-N -1 0 309.326 -0.198 20 0 DBADRM CCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC000955752201 809440841 /nfs/dbraw/zinc/44/08/41/809440841.db2.gz BGFQSAALZXRMLJ-JGVFFNPUSA-N -1 0 309.326 -0.198 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC000955752202 809440844 /nfs/dbraw/zinc/44/08/44/809440844.db2.gz BGFQSAALZXRMLJ-SFYZADRCSA-N -1 0 309.326 -0.198 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001039061397 815289298 /nfs/dbraw/zinc/28/92/98/815289298.db2.gz NJEYNJAGCPQFGP-WDEREUQCSA-N -1 0 322.369 -0.788 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)[C@@H](C)C1 ZINC000955769021 809443704 /nfs/dbraw/zinc/44/37/04/809443704.db2.gz LQIUEFPRROZREV-WPRPVWTQSA-N -1 0 308.338 -0.385 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000956120208 809488344 /nfs/dbraw/zinc/48/83/44/809488344.db2.gz OGEPOZJTCCIJHO-HRDYMLBCSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000956129867 809489333 /nfs/dbraw/zinc/48/93/33/809489333.db2.gz MXDTTXXBIGOMEQ-KXUCPTDWSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)N1CC[C@@H](N2CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)C1 ZINC000956593589 809525604 /nfs/dbraw/zinc/52/56/04/809525604.db2.gz XNFCKEOKFBWSLX-GFCCVEGCSA-N -1 0 321.381 -0.198 20 0 DBADRM CC(=O)N[C@]1(C)CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000956609697 809529974 /nfs/dbraw/zinc/52/99/74/809529974.db2.gz LOPNITQDCAIWBR-CYBMUJFWSA-N -1 0 309.326 -0.658 20 0 DBADRM C[C@@]1(NC(=O)C2CC2)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000956616685 809530385 /nfs/dbraw/zinc/53/03/85/809530385.db2.gz FVRWFEZIWLSCAA-CYBMUJFWSA-N -1 0 309.326 -0.794 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN(C(=O)CC(N)=O)C2)c1[O-] ZINC000956828374 809554862 /nfs/dbraw/zinc/55/48/62/809554862.db2.gz JYLVQRMWKFOWIY-CYBMUJFWSA-N -1 0 309.326 -0.980 20 0 DBADRM CC(=O)N1CC[C@](C)(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000956930613 809568956 /nfs/dbraw/zinc/56/89/56/809568956.db2.gz NZQHQLFDHCCEIH-AWEZNQCLSA-N -1 0 303.322 -0.237 20 0 DBADRM CCN(C(=O)c1cn(CC)nn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000957053337 809580450 /nfs/dbraw/zinc/58/04/50/809580450.db2.gz FQXPTSQYGGHPBE-UHFFFAOYSA-N -1 0 320.357 -0.532 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC000957119957 809588828 /nfs/dbraw/zinc/58/88/28/809588828.db2.gz HHFINLKRZVWXBY-SNVBAGLBSA-N -1 0 322.369 -0.977 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)C1 ZINC000957134282 809590553 /nfs/dbraw/zinc/59/05/53/809590553.db2.gz NYLIIGGMXSXIRK-GJZGRUSLSA-N -1 0 310.350 -0.317 20 0 DBADRM CC(C)C(=O)N1CC[C@@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957235360 809607842 /nfs/dbraw/zinc/60/78/42/809607842.db2.gz BFSGHBAUVYKTCD-CYBMUJFWSA-N -1 0 309.326 -0.340 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957236407 809607899 /nfs/dbraw/zinc/60/78/99/809607899.db2.gz ZNKUKFYDJZRVQF-SMGNDMQFSA-N -1 0 321.337 -0.030 20 0 DBADRM C[C@@]1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(C(=O)C(F)F)C1 ZINC000957235766 809608300 /nfs/dbraw/zinc/60/83/00/809608300.db2.gz LETPNAVOKOUWAZ-LLVKDONJSA-N -1 0 317.252 -0.731 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957273695 809615138 /nfs/dbraw/zinc/61/51/38/809615138.db2.gz IBBFVOBUFMHIOF-WGZSSWNPSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@]1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000957327512 809627292 /nfs/dbraw/zinc/62/72/92/809627292.db2.gz YUUYWVURSGDXFH-UINNMSKDSA-N -1 0 323.353 -0.548 20 0 DBADRM CCn1cnc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1 ZINC000957351181 809630624 /nfs/dbraw/zinc/63/06/24/809630624.db2.gz LBWNKEFEKGQHKC-UHFFFAOYSA-N -1 0 305.342 -0.315 20 0 DBADRM Cc1oncc1CN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000957473633 809647957 /nfs/dbraw/zinc/64/79/57/809647957.db2.gz BMHFQWJWSHCGDM-UHFFFAOYSA-N -1 0 322.325 -0.670 20 0 DBADRM CCc1nc[nH]c1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957498788 809650613 /nfs/dbraw/zinc/65/06/13/809650613.db2.gz OJKIHIGLRZIBLO-UHFFFAOYSA-N -1 0 305.342 -0.246 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957500864 809650623 /nfs/dbraw/zinc/65/06/23/809650623.db2.gz RJRPVIQBCDUTEF-JTQLQIEISA-N -1 0 322.369 -0.835 20 0 DBADRM CN1C[C@@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCC1=O ZINC000957791080 809675777 /nfs/dbraw/zinc/67/57/77/809675777.db2.gz DWGDMOZIDACLFG-JTQLQIEISA-N -1 0 322.369 -0.977 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCCCC1 ZINC000957821431 809683292 /nfs/dbraw/zinc/68/32/92/809683292.db2.gz RKIPVYFUGAKPNW-RYUDHWBXSA-N -1 0 323.397 -0.001 20 0 DBADRM Cc1ccc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)o1 ZINC000957851943 809691489 /nfs/dbraw/zinc/69/14/89/809691489.db2.gz PGCBJHUBODJUEX-VHSXEESVSA-N -1 0 321.337 -0.366 20 0 DBADRM Cc1ccoc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000957859119 809695100 /nfs/dbraw/zinc/69/51/00/809695100.db2.gz LJIPGKNECVYCSJ-VHSXEESVSA-N -1 0 321.337 -0.366 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccoc1 ZINC000957878361 809698828 /nfs/dbraw/zinc/69/88/28/809698828.db2.gz LBMLIKGHMPWBKQ-NXEZZACHSA-N -1 0 307.310 -0.674 20 0 DBADRM Cc1ncoc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000957965657 809729937 /nfs/dbraw/zinc/72/99/37/809729937.db2.gz MAACHEOWQQVPEV-IUCAKERBSA-N -1 0 322.325 -0.971 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1CCOCC1 ZINC000958056411 809754402 /nfs/dbraw/zinc/75/44/02/809754402.db2.gz AUOXVJLYAJTKNJ-IAZYJMLFSA-N -1 0 307.354 -0.517 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccsn1 ZINC000958175242 809794793 /nfs/dbraw/zinc/79/47/93/809794793.db2.gz KVQBLRYMAXWHEX-IONNQARKSA-N -1 0 324.366 -0.811 20 0 DBADRM Cc1noc(C)c1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958197625 809804315 /nfs/dbraw/zinc/80/43/15/809804315.db2.gz RCEDCPSQTBBOOR-GDGBQDQQSA-N -1 0 318.337 -0.025 20 0 DBADRM Cc1ncncc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958314670 809857287 /nfs/dbraw/zinc/85/72/87/809857287.db2.gz KKCGFJWPVUMFFA-IAZYJMLFSA-N -1 0 315.337 -0.531 20 0 DBADRM Cc1coc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1 ZINC000958324621 809862440 /nfs/dbraw/zinc/86/24/40/809862440.db2.gz KSLRXHVHXQUCSK-ZJUUUORDSA-N -1 0 321.337 -0.366 20 0 DBADRM Cc1cocc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958327077 809863818 /nfs/dbraw/zinc/86/38/18/809863818.db2.gz ZQOQBCUYLFUSNX-MWLCHTKSSA-N -1 0 321.337 -0.366 20 0 DBADRM Cc1ocnc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958348735 809872471 /nfs/dbraw/zinc/87/24/71/809872471.db2.gz YHSTWDYDXIEQIR-VROVMSAKSA-N -1 0 304.310 -0.333 20 0 DBADRM O=C(C[C@@H]1CCOC1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958446163 809913539 /nfs/dbraw/zinc/91/35/39/809913539.db2.gz ZLDYZMVKZREQSY-QISWUMQESA-N -1 0 307.354 -0.517 20 0 DBADRM Cc1cnoc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000958563445 809958130 /nfs/dbraw/zinc/95/81/30/809958130.db2.gz NQODQBNBDSXAHO-BDAKNGLRSA-N -1 0 322.325 -0.971 20 0 DBADRM Cc1conc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000958575350 809962933 /nfs/dbraw/zinc/96/29/33/809962933.db2.gz XDJXAZQUHMMTHV-IUCAKERBSA-N -1 0 322.325 -0.971 20 0 DBADRM O=C(NC[C@H]1CN(CCF)C[C@H]1O)c1ccc2oc(=O)nc-2[n-]1 ZINC000958583961 809967156 /nfs/dbraw/zinc/96/71/56/809967156.db2.gz MKZOXJUQQMJWAA-WCBMZHEXSA-N -1 0 324.312 -0.080 20 0 DBADRM O=C(Cc1cncnc1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958726612 810014021 /nfs/dbraw/zinc/01/40/21/810014021.db2.gz BGKHSNMOENEPMI-IWIIMEHWSA-N -1 0 315.337 -0.911 20 0 DBADRM CCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000958982570 810075398 /nfs/dbraw/zinc/07/53/98/810075398.db2.gz BWBSOLBKLPCDFS-HTQZYQBOSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000958987548 810076076 /nfs/dbraw/zinc/07/60/76/810076076.db2.gz NFUJJXSPLVPYCB-SCZZXKLOSA-N -1 0 308.338 -0.527 20 0 DBADRM CCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000958988821 810076113 /nfs/dbraw/zinc/07/61/13/810076113.db2.gz VSVWXSHJTPLIAV-NXEZZACHSA-N -1 0 322.365 -0.137 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H]2CCN(C(=O)CC(N)=O)C2)c1[O-] ZINC000959095646 810080058 /nfs/dbraw/zinc/08/00/58/810080058.db2.gz PHXDJVGPDSMSCY-APPZFPTMSA-N -1 0 323.353 -0.734 20 0 DBADRM C[C@H](NC(=O)C1CC1)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000959226407 810086426 /nfs/dbraw/zinc/08/64/26/810086426.db2.gz WFNCGQKSNCEFDZ-CBAPKCEASA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H](NC(=O)C1CC1)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000959225232 810086433 /nfs/dbraw/zinc/08/64/33/810086433.db2.gz XHPMJBLHCSQNJJ-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1CNC(=O)C1CC1 ZINC000959536452 810107989 /nfs/dbraw/zinc/10/79/89/810107989.db2.gz RFZRCDKDCLOUKM-APPZFPTMSA-N -1 0 321.337 -0.483 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CN(C(=O)C3CC3)C[C@H]2C1 ZINC000959776965 810122064 /nfs/dbraw/zinc/12/20/64/810122064.db2.gz AFFNTWAEMAARAX-AOOOYVTPSA-N -1 0 321.337 -0.984 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ccns1 ZINC000960140409 810155297 /nfs/dbraw/zinc/15/52/97/810155297.db2.gz VVPIMANFZYPKRI-MTBHXBHISA-N -1 0 306.351 -0.173 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCC[C@@H](C1)N2CCF ZINC001039984263 815347623 /nfs/dbraw/zinc/34/76/23/815347623.db2.gz UKQNYRNEOBTYBH-AOOOYVTPSA-N -1 0 313.333 -0.276 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)c1cn[nH]c1 ZINC000960460648 810177764 /nfs/dbraw/zinc/17/77/64/810177764.db2.gz UHKQKKRNDHOQAN-JTQLQIEISA-N -1 0 305.342 -0.030 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)[C@H]1CCNC1=O ZINC000960802090 810202030 /nfs/dbraw/zinc/20/20/30/810202030.db2.gz NSYUNQSEXCFNSR-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)c1cnn(C)n1 ZINC000960922069 810212359 /nfs/dbraw/zinc/21/23/59/810212359.db2.gz LUXWAGIMKGALLR-VIFPVBQESA-N -1 0 320.357 -0.625 20 0 DBADRM CC(C)C(=O)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC000961033904 810218068 /nfs/dbraw/zinc/21/80/68/810218068.db2.gz GGOVGNWWFLJYKQ-AOOOYVTPSA-N -1 0 323.353 -0.738 20 0 DBADRM O=C(Cc1c[nH]cn1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000961895753 810396819 /nfs/dbraw/zinc/39/68/19/810396819.db2.gz LYVJIPIPPPEIAV-GDGBQDQQSA-N -1 0 303.326 -0.978 20 0 DBADRM O=C(Cc1cscn1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000961974865 810414660 /nfs/dbraw/zinc/41/46/60/810414660.db2.gz UKPGZKLAWHIRMJ-GDGBQDQQSA-N -1 0 320.378 -0.244 20 0 DBADRM CCC(=O)N[C@@H]1CC12CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC000962221991 810477633 /nfs/dbraw/zinc/47/76/33/810477633.db2.gz CXFCSXNOYIGZBP-MRVPVSSYSA-N -1 0 321.337 -0.196 20 0 DBADRM CC(=O)N[C@H]1CC12CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC000962298892 810500181 /nfs/dbraw/zinc/50/01/81/810500181.db2.gz PRGHTGXPSDGFQR-VIFPVBQESA-N -1 0 309.326 -0.794 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC3CCC3)C[C@@H]2O)c1[O-] ZINC000962302764 810501940 /nfs/dbraw/zinc/50/19/40/810501940.db2.gz JDFZHYYLBPIXKR-MNOVXSKESA-N -1 0 322.365 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC3(C)C)C[C@@H]2O)c1[O-] ZINC000962301672 810502140 /nfs/dbraw/zinc/50/21/40/810502140.db2.gz AUDJZXBTAJESLS-BBBLOLIVSA-N -1 0 322.365 -0.229 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C=C3CCC3)C[C@@H]2O)c1[O-] ZINC000962301757 810502224 /nfs/dbraw/zinc/50/22/24/810502224.db2.gz CMXUJCOVKDQXBA-MNOVXSKESA-N -1 0 320.349 -0.164 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC3(C)CC3)C[C@@H]2O)c1[O-] ZINC000962321532 810505861 /nfs/dbraw/zinc/50/58/61/810505861.db2.gz VJQFWVBDXSRQRG-ZJUUUORDSA-N -1 0 322.365 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)C[C@@H]2O)c1[O-] ZINC000962319692 810506246 /nfs/dbraw/zinc/50/62/46/810506246.db2.gz UJELWBSXBWDVGP-MCNGFCJOSA-N -1 0 308.338 -0.619 20 0 DBADRM CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)c1cnc([O-])n(C)c1=O ZINC000962513714 810542032 /nfs/dbraw/zinc/54/20/32/810542032.db2.gz OGCGNEBCEFCWNZ-NWDGAFQWSA-N -1 0 320.349 -0.289 20 0 DBADRM CCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000962520883 810544398 /nfs/dbraw/zinc/54/43/98/810544398.db2.gz SNYYCTZNEURPPZ-VHSXEESVSA-N -1 0 323.353 -0.309 20 0 DBADRM CCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000963412188 810626304 /nfs/dbraw/zinc/62/63/04/810626304.db2.gz FMNUPKVADNKILT-DTWKUNHWSA-N -1 0 321.337 -0.102 20 0 DBADRM CC(=O)N[C@H]1CC[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000963901552 810670149 /nfs/dbraw/zinc/67/01/49/810670149.db2.gz VSNQHEFZSOOACX-XYPYZODXSA-N -1 0 322.365 -0.089 20 0 DBADRM CC(=O)NC[C@H]1COCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000964051649 810684333 /nfs/dbraw/zinc/68/43/33/810684333.db2.gz UYQNFLRNWYBGCO-VIFPVBQESA-N -1 0 320.305 -0.095 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2COCCN2C(=O)C2CC2)c1[O-] ZINC000964155957 810714850 /nfs/dbraw/zinc/71/48/50/810714850.db2.gz PJTSPLHXFCBLHS-JTQLQIEISA-N -1 0 308.338 -0.209 20 0 DBADRM CCC(=O)N[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000964640889 810791873 /nfs/dbraw/zinc/79/18/73/810791873.db2.gz GZCPYDDCVRZJRI-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cnn(C)c1 ZINC000965032883 810820713 /nfs/dbraw/zinc/82/07/13/810820713.db2.gz MMYXKVSRXWZUFJ-ONGXEEELSA-N -1 0 319.369 -0.116 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC3(C[C@H]3NC(=O)C(N)=O)CC2)c1[O-] ZINC000965038398 810822365 /nfs/dbraw/zinc/82/23/65/810822365.db2.gz LJLPAHUVWXSWAO-MRVPVSSYSA-N -1 0 321.337 -0.980 20 0 DBADRM CC(=O)N1CCC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000965077753 810827173 /nfs/dbraw/zinc/82/71/73/810827173.db2.gz LZBCPFHGQBAYCJ-JTQLQIEISA-N -1 0 308.338 -0.383 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cn1cccn1 ZINC000965149691 810839254 /nfs/dbraw/zinc/83/92/54/810839254.db2.gz JGTVBRKJCSKNMQ-WDEREUQCSA-N -1 0 319.369 -0.266 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccnn1C ZINC000965526704 810899166 /nfs/dbraw/zinc/89/91/66/810899166.db2.gz OBSLNQVALFMVAJ-VHSXEESVSA-N -1 0 319.369 -0.116 20 0 DBADRM COCC(=O)N1CC2(C1)C[C@H](NC(=O)c1[nH]nc(C)c1[O-])CO2 ZINC000965671892 810935295 /nfs/dbraw/zinc/93/52/95/810935295.db2.gz GLWSFRYSQPQNLW-VIFPVBQESA-N -1 0 324.337 -0.830 20 0 DBADRM CCC(=O)N1CC2(C1)C[C@H](NC(=O)c1[nH]nc(C)c1[O-])CO2 ZINC000965670711 810935911 /nfs/dbraw/zinc/93/59/11/810935911.db2.gz BGDUVAWQPJCHCO-VIFPVBQESA-N -1 0 308.338 -0.067 20 0 DBADRM CC(=O)N1CCC[C@H](CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000965770986 810961063 /nfs/dbraw/zinc/96/10/63/810961063.db2.gz PRSTXQBGMSSAJQ-SECBINFHSA-N -1 0 309.326 -0.387 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnnn1C ZINC000965980884 810999976 /nfs/dbraw/zinc/99/99/76/810999976.db2.gz QDLMPRKGBVFSRP-RKDXNWHRSA-N -1 0 320.357 -0.721 20 0 DBADRM CCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000966010809 811004712 /nfs/dbraw/zinc/00/47/12/811004712.db2.gz DHAAHKSXOKHKJF-WCBMZHEXSA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@@H]1CN(C(=O)C2CCC2)C[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000966033839 811007008 /nfs/dbraw/zinc/00/70/08/811007008.db2.gz UTAVTNCZEXYTEW-APPZFPTMSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000966089121 811014463 /nfs/dbraw/zinc/01/44/63/811014463.db2.gz FABRESOCJYMZLL-BDAKNGLRSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(C)=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000966114984 811015299 /nfs/dbraw/zinc/01/52/99/811015299.db2.gz XTTSYLSGDCKBBH-BDAKNGLRSA-N -1 0 321.337 -0.174 20 0 DBADRM CC(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000966198773 811032965 /nfs/dbraw/zinc/03/29/65/811032965.db2.gz SJWQMZPMFBVNFS-KOLCDFICSA-N -1 0 322.365 -0.281 20 0 DBADRM CCC(=O)N[C@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC000966587521 811104697 /nfs/dbraw/zinc/10/46/97/811104697.db2.gz ZQTRIJPXJXHKQC-WPRPVWTQSA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)CC1CC1 ZINC000966637575 811113008 /nfs/dbraw/zinc/11/30/08/811113008.db2.gz OPNVJPIHOIKIAM-IONNQARKSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1NC(=O)C1CC1 ZINC000966663011 811117337 /nfs/dbraw/zinc/11/73/37/811117337.db2.gz NUZLNYDNGVEUME-KCJUWKMLSA-N -1 0 320.349 -0.527 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C(C)(C)C1 ZINC000967091217 811196857 /nfs/dbraw/zinc/19/68/57/811196857.db2.gz UXNQLURLMMPUEE-NSHDSACASA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cn[nH]n1 ZINC000967187749 811217960 /nfs/dbraw/zinc/21/79/60/811217960.db2.gz XDBWMLIWUDKVOV-APPZFPTMSA-N -1 0 306.330 -0.731 20 0 DBADRM CC(=O)N(C)C[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000967202269 811222475 /nfs/dbraw/zinc/22/24/75/811222475.db2.gz DHYIHLSEECOIMR-NSHDSACASA-N -1 0 322.365 -0.184 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCCN(C(=O)C(N)=O)CC2)c1[O-] ZINC000967517882 811262358 /nfs/dbraw/zinc/26/23/58/811262358.db2.gz LYIKLECGPGZVFX-SECBINFHSA-N -1 0 323.353 -0.638 20 0 DBADRM CC(=O)N1CCC[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000967605286 811267971 /nfs/dbraw/zinc/26/79/71/811267971.db2.gz WEANZUPHJLZSEX-SECBINFHSA-N -1 0 309.326 -0.244 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C2CCC2)C1 ZINC000968171169 811357784 /nfs/dbraw/zinc/35/77/84/811357784.db2.gz MATQADUPXOILBS-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM CCN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(C(=O)C(C)C)C1 ZINC000968214938 811364368 /nfs/dbraw/zinc/36/43/68/811364368.db2.gz GOXARRSEDGCXKR-UHFFFAOYSA-N -1 0 322.365 -0.185 20 0 DBADRM Cc1nnc(CN[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C2)[nH]1 ZINC000968416309 811403547 /nfs/dbraw/zinc/40/35/47/811403547.db2.gz XGAVLZUREIYLAO-SECBINFHSA-N -1 0 305.342 -0.145 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NCc3cn(C)nn3)C2)c1[O-] ZINC000968432683 811406417 /nfs/dbraw/zinc/40/64/17/811406417.db2.gz MIEVFMAKMXXXPW-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnon1 ZINC000968444471 811410572 /nfs/dbraw/zinc/41/05/72/811410572.db2.gz KVKAFZAYSDCFRH-VXNVDRBHSA-N -1 0 307.314 -0.466 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC000968521004 811434073 /nfs/dbraw/zinc/43/40/73/811434073.db2.gz ORSOQSMARQJAAI-RKDXNWHRSA-N -1 0 320.357 -0.802 20 0 DBADRM NC(=O)CN1CCCCC[C@H]1CNC(=O)c1cnc[nH]c1=O ZINC000968907669 811511957 /nfs/dbraw/zinc/51/19/57/811511957.db2.gz WOWBUGZTLUMSIG-JTQLQIEISA-N -1 0 307.354 -0.358 20 0 DBADRM Cc1ncn(C)c1C(=O)N1CC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 ZINC000968996963 811531525 /nfs/dbraw/zinc/53/15/25/811531525.db2.gz UZNVJAGHLJRLLW-SNVBAGLBSA-N -1 0 319.369 -0.845 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000971510062 811571118 /nfs/dbraw/zinc/57/11/18/811571118.db2.gz AQLQQCBVSYOSEH-JTQLQIEISA-N -1 0 309.370 -0.152 20 0 DBADRM Cc1ccc(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC000971522915 811572234 /nfs/dbraw/zinc/57/22/34/811572234.db2.gz QBMFZYUQJPDMPE-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3ncoc3C)C2)c1[O-] ZINC000990396720 811617558 /nfs/dbraw/zinc/61/75/58/811617558.db2.gz RURGWQAVCOMKDF-UHFFFAOYSA-N -1 0 305.294 -0.025 20 0 DBADRM Cc1cc(CC(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)no1 ZINC000990538317 811691462 /nfs/dbraw/zinc/69/14/62/811691462.db2.gz MSAIQLCFYDTMHN-UHFFFAOYSA-N -1 0 319.321 -0.097 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)C[C@@H]3CCOC3)C2)c1[O-] ZINC000990568673 811704349 /nfs/dbraw/zinc/70/43/49/811704349.db2.gz FYYUIGJHQMPIPP-VIFPVBQESA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cc[nH]c(=O)c3)C2)c1[O-] ZINC000990772978 811759955 /nfs/dbraw/zinc/75/99/55/811759955.db2.gz ZXVJPLKUUHNUBN-UHFFFAOYSA-N -1 0 317.305 -0.221 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3ccncn3)C2)c1[O-] ZINC000990857625 811790589 /nfs/dbraw/zinc/79/05/89/811790589.db2.gz BECUMDACMMOCFG-UHFFFAOYSA-N -1 0 302.294 -0.532 20 0 DBADRM Cc1cc(CC(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)[nH]n1 ZINC000990863068 811792470 /nfs/dbraw/zinc/79/24/70/811792470.db2.gz BTJBNHXVKZHSKR-UHFFFAOYSA-N -1 0 318.337 -0.361 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)CCn3ccnn3)C2)c1[O-] ZINC000990864648 811792816 /nfs/dbraw/zinc/79/28/16/811792816.db2.gz LUSOZNIFQQSIGI-UHFFFAOYSA-N -1 0 319.325 -0.954 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@H]3CCCCO3)C2)c1[O-] ZINC000990863603 811793053 /nfs/dbraw/zinc/79/30/53/811793053.db2.gz DSPOQGYDNCUMBI-SNVBAGLBSA-N -1 0 308.338 -0.067 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3ncoc3C)C2)c1[O-] ZINC000990864021 811793069 /nfs/dbraw/zinc/79/30/69/811793069.db2.gz IFVCAWRXTULJOG-UHFFFAOYSA-N -1 0 305.294 -0.025 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)Cc3cncn3C)C2)c1[O-] ZINC000990864057 811793155 /nfs/dbraw/zinc/79/31/55/811793155.db2.gz ITVSXRLBIYPCMV-UHFFFAOYSA-N -1 0 318.337 -0.659 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CCCOC3)C2)c1[O-] ZINC000990865379 811793621 /nfs/dbraw/zinc/79/36/21/811793621.db2.gz PGPCSUBMUFJOJN-SECBINFHSA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1cncn1CC(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990869552 811795312 /nfs/dbraw/zinc/79/53/12/811795312.db2.gz ZUZZNVGVXHVTQZ-UHFFFAOYSA-N -1 0 318.337 -0.431 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@H](C)n3cncn3)C2)c1[O-] ZINC000990914627 811806934 /nfs/dbraw/zinc/80/69/34/811806934.db2.gz HJCAXUIKBZTOJD-QMMMGPOBSA-N -1 0 319.325 -0.783 20 0 DBADRM O=C(NC1CN(C(=O)c2cnc[nH]c2=O)C1)c1cncnc1 ZINC000990967153 811832031 /nfs/dbraw/zinc/83/20/31/811832031.db2.gz GYOGOQUSMNDOFK-UHFFFAOYSA-N -1 0 300.278 -0.773 20 0 DBADRM CC1(C)CC(C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000991132856 811899626 /nfs/dbraw/zinc/89/96/26/811899626.db2.gz CBKVIBIERYZOMI-UHFFFAOYSA-N -1 0 321.337 -0.340 20 0 DBADRM CCn1nncc1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000991183272 811941566 /nfs/dbraw/zinc/94/15/66/811941566.db2.gz JPNGDKMBSAOOJQ-UHFFFAOYSA-N -1 0 319.325 -0.710 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC[C@@H]1C ZINC001004290561 811971018 /nfs/dbraw/zinc/97/10/18/811971018.db2.gz HFMYYWQBHBYKLA-GZMMTYOYSA-N -1 0 308.338 -0.527 20 0 DBADRM CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001004569130 811997197 /nfs/dbraw/zinc/99/71/97/811997197.db2.gz BEAJZJSNTXXPSV-PRJMDXOYSA-N -1 0 307.310 -0.446 20 0 DBADRM C[C@H]1CCN(C(=O)C2CC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001005100226 812028802 /nfs/dbraw/zinc/02/88/02/812028802.db2.gz KCLFFNVBKSGPOD-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM CCC(=O)N1CC[C@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001005102943 812029314 /nfs/dbraw/zinc/02/93/14/812029314.db2.gz YIGZUTZJTMXWSF-DTWKUNHWSA-N -1 0 311.342 -0.548 20 0 DBADRM CCC(=O)N1CC[C@H](C)[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001005102944 812029432 /nfs/dbraw/zinc/02/94/32/812029432.db2.gz YIGZUTZJTMXWSF-IUCAKERBSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CCN([C@@H](C)C(N)=O)CC2)c1[O-] ZINC001005263852 812054020 /nfs/dbraw/zinc/05/40/20/812054020.db2.gz XPVUJHDIQIXAAX-VIFPVBQESA-N -1 0 309.370 -0.166 20 0 DBADRM CN(C(=O)[C@H]1COC(=O)N1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005334345 812061422 /nfs/dbraw/zinc/06/14/22/812061422.db2.gz NFVZKNHVHYZFTC-SECBINFHSA-N -1 0 324.341 -0.959 20 0 DBADRM C[C@@H](NC(=O)C1CC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001005553894 812076819 /nfs/dbraw/zinc/07/68/19/812076819.db2.gz DQSDLBZFGWAJHE-SSDOTTSWSA-N -1 0 309.326 -0.938 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N(C)C1CCN([C@@H](C)C(N)=O)CC1 ZINC001005861055 812125876 /nfs/dbraw/zinc/12/58/76/812125876.db2.gz UDYYOAZNUOPCRS-JTQLQIEISA-N -1 0 321.381 -0.099 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CCN(CCF)CC1 ZINC001006346352 812187394 /nfs/dbraw/zinc/18/73/94/812187394.db2.gz AXTYQQWTOKLQLS-UHFFFAOYSA-N -1 0 301.322 -0.418 20 0 DBADRM CC[C@@H](C)C(=O)N1CC([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006496897 812213671 /nfs/dbraw/zinc/21/36/71/812213671.db2.gz WSTFZBXDAPKJOA-HTQZYQBOSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(=O)N[C@]12CCC[C@H]1CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001006802187 812248205 /nfs/dbraw/zinc/24/82/05/812248205.db2.gz BGWZTNKNTKXYFY-ZANVPECISA-N -1 0 309.326 -0.794 20 0 DBADRM Cc1cc(CC(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n[nH]1 ZINC001007065041 812265692 /nfs/dbraw/zinc/26/56/92/812265692.db2.gz PEVCDRPVTMIVHG-JTQLQIEISA-N -1 0 319.369 -0.135 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007111938 812267650 /nfs/dbraw/zinc/26/76/50/812267650.db2.gz LWJUBUJGLVIMNH-UWVGGRQHSA-N -1 0 323.353 -0.456 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN([C@@H]3CCCNC3=O)C2)c1[O-] ZINC001007133909 812270066 /nfs/dbraw/zinc/27/00/66/812270066.db2.gz JVOVTSSGQJMDKG-WDEREUQCSA-N -1 0 321.381 -0.103 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001007161478 812272195 /nfs/dbraw/zinc/27/21/95/812272195.db2.gz HSFYAASTLONPSB-UWVGGRQHSA-N -1 0 320.357 -0.556 20 0 DBADRM COc1cc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001007166147 812273391 /nfs/dbraw/zinc/27/33/91/812273391.db2.gz JTABXHANGWJVCV-MRVPVSSYSA-N -1 0 322.325 -0.099 20 0 DBADRM Cn1ccc(CC(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001007322196 812298119 /nfs/dbraw/zinc/29/81/19/812298119.db2.gz VNDWQANRBXKMAP-NSHDSACASA-N -1 0 319.369 -0.433 20 0 DBADRM CC(=O)N[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC1(C)C ZINC001007753656 812353973 /nfs/dbraw/zinc/35/39/73/812353973.db2.gz QNYDOICWFGAEJD-JTQLQIEISA-N -1 0 308.338 -0.527 20 0 DBADRM CC1(C)CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C1CC1 ZINC001007768478 812356137 /nfs/dbraw/zinc/35/61/37/812356137.db2.gz DNTBSMXMTKIDSC-MRVPVSSYSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2cnon2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001007797600 812359007 /nfs/dbraw/zinc/35/90/07/812359007.db2.gz CBFDQCLOVVMWIG-SSDOTTSWSA-N -1 0 321.297 -0.940 20 0 DBADRM Cc1cncn1CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007943284 812370175 /nfs/dbraw/zinc/37/01/75/812370175.db2.gz ICLULPCNWYMBFL-LLVKDONJSA-N -1 0 319.369 -0.204 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1=O ZINC001008248005 812406011 /nfs/dbraw/zinc/40/60/11/812406011.db2.gz LSTBQWUKOHDTCT-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1ccn(CC(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001008572652 812449959 /nfs/dbraw/zinc/44/99/59/812449959.db2.gz ZLVHKSZLJWUIHI-NSHDSACASA-N -1 0 319.369 -0.204 20 0 DBADRM CC(C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001009289320 812528623 /nfs/dbraw/zinc/52/86/23/812528623.db2.gz QNKZNGRHLGBQOD-PSVAKVPMSA-N -1 0 321.337 -0.627 20 0 DBADRM CC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001009415159 812541869 /nfs/dbraw/zinc/54/18/69/812541869.db2.gz KPQGDLCWMSDPMX-XPTSAGLGSA-N -1 0 321.337 -0.339 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001009721023 812580340 /nfs/dbraw/zinc/58/03/40/812580340.db2.gz AVTWZJJFKXFQTQ-QMMMGPOBSA-N -1 0 307.314 -0.404 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001009721021 812580780 /nfs/dbraw/zinc/58/07/80/812580780.db2.gz AVTWZJJFKXFQTQ-MRVPVSSYSA-N -1 0 307.314 -0.404 20 0 DBADRM CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC001009767258 812588328 /nfs/dbraw/zinc/58/83/28/812588328.db2.gz NUCGIEFMONPKAT-KXUCPTDWSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC001009858305 812596603 /nfs/dbraw/zinc/59/66/03/812596603.db2.gz KARWPLQILFJRLP-AEJSXWLSSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C1 ZINC001009858311 812596835 /nfs/dbraw/zinc/59/68/35/812596835.db2.gz KARWPLQILFJRLP-LPEHRKFASA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H]1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C1CC1 ZINC001009909291 812602685 /nfs/dbraw/zinc/60/26/85/812602685.db2.gz SHFVSOYNCIQGKK-JGVFFNPUSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C1CC1 ZINC001009909293 812602724 /nfs/dbraw/zinc/60/27/24/812602724.db2.gz SHFVSOYNCIQGKK-SFYZADRCSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N1C[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC001009910558 812603095 /nfs/dbraw/zinc/60/30/95/812603095.db2.gz RMNAEAOAFYRXHT-WPRPVWTQSA-N -1 0 308.338 -0.527 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](C)N(C(=O)CC(N)=O)C2)c1[O-] ZINC001010075812 812616789 /nfs/dbraw/zinc/61/67/89/812616789.db2.gz HUAZQDPFDJAMBV-VXNVDRBHSA-N -1 0 323.353 -0.734 20 0 DBADRM C[C@H]1C[C@H](CNC(=O)C2CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001010237950 812641722 /nfs/dbraw/zinc/64/17/22/812641722.db2.gz NLOZSZFGLXGHFZ-DTWKUNHWSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC001010285462 812652652 /nfs/dbraw/zinc/65/26/52/812652652.db2.gz JXVRQCDJVBJZDB-UWVGGRQHSA-N -1 0 305.342 -0.342 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001010340974 812664747 /nfs/dbraw/zinc/66/47/47/812664747.db2.gz AOCHEIUXWDHSBW-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ncnn3C)C2)c1[O-] ZINC001010628748 812729643 /nfs/dbraw/zinc/72/96/43/812729643.db2.gz LIWSJXNHZSZWHM-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM CCN1CC[C@@H](N2CC[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)C1=O ZINC001010645655 812732686 /nfs/dbraw/zinc/73/26/86/812732686.db2.gz ZSXBFXZPAZUKDP-WDEREUQCSA-N -1 0 321.381 -0.151 20 0 DBADRM Cn1nccc1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010797632 812771129 /nfs/dbraw/zinc/77/11/29/812771129.db2.gz YHRUYXVTMXMXOQ-VIFPVBQESA-N -1 0 305.342 -0.823 20 0 DBADRM C/C=C(\C)C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001010946056 812802299 /nfs/dbraw/zinc/80/22/99/812802299.db2.gz HCUSXWBOKMNTMS-YCRREMRBSA-N -1 0 309.326 -0.674 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)c1[O-] ZINC001011010006 812811637 /nfs/dbraw/zinc/81/16/37/812811637.db2.gz RPVDYKKMDCAJHF-BONVTDFDSA-N -1 0 320.349 -0.255 20 0 DBADRM Cc1nonc1C(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001011010296 812812038 /nfs/dbraw/zinc/81/20/38/812812038.db2.gz YJPRFQOSYFROHP-UHFFFAOYSA-N -1 0 320.309 -0.287 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001011015023 812813109 /nfs/dbraw/zinc/81/31/09/812813109.db2.gz NXQLVGDMAKPSGL-MRVPVSSYSA-N -1 0 321.337 -0.387 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H]1C ZINC001011341486 812883154 /nfs/dbraw/zinc/88/31/54/812883154.db2.gz OEGKXZPUCIGLNA-WPRPVWTQSA-N -1 0 308.338 -0.385 20 0 DBADRM CC(C)=CC(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001011446677 812893107 /nfs/dbraw/zinc/89/31/07/812893107.db2.gz GVTDVXHGCZZANC-NXEZZACHSA-N -1 0 323.353 -0.239 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001011628312 812921680 /nfs/dbraw/zinc/92/16/80/812921680.db2.gz MNKZDGLMJLKACW-DTHNXCEOSA-N -1 0 321.337 -0.032 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cnon3)[C@@H]2C)c1[O-] ZINC001011660820 812924263 /nfs/dbraw/zinc/92/42/63/812924263.db2.gz RJEUZYXAUWZQAT-YUMQZZPRSA-N -1 0 320.309 -0.160 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cn[nH]n3)[C@H]2C)c1[O-] ZINC001011875565 812961824 /nfs/dbraw/zinc/96/18/24/812961824.db2.gz XQUGYXOLXXDROK-YUMQZZPRSA-N -1 0 319.325 -0.425 20 0 DBADRM CCC(=O)N[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001011878081 812963751 /nfs/dbraw/zinc/96/37/51/812963751.db2.gz XWHVXSHVFFINJJ-RKDXNWHRSA-N -1 0 323.353 -0.269 20 0 DBADRM C[C@H]1[C@H](NC(=O)CC2CC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001011928148 812972287 /nfs/dbraw/zinc/97/22/87/812972287.db2.gz APISQGQLLVVJQX-IONNQARKSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@@H]1[C@H](NC(=O)C(F)F)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001011932801 812972467 /nfs/dbraw/zinc/97/24/67/812972467.db2.gz XZAZBCQLTHFQDL-RFZPGFLSSA-N -1 0 317.252 -0.733 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)CC1CC1 ZINC001012160102 813018368 /nfs/dbraw/zinc/01/83/68/813018368.db2.gz NYODLUIUECHRDW-VXNVDRBHSA-N -1 0 321.337 -0.198 20 0 DBADRM CC(C)=CC(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001012238586 813025319 /nfs/dbraw/zinc/02/53/19/813025319.db2.gz YMCGKZRFLMDMMZ-IUCAKERBSA-N -1 0 321.337 -0.032 20 0 DBADRM CC(C)C(=O)N1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001012307075 813035472 /nfs/dbraw/zinc/03/54/72/813035472.db2.gz DZNIQINALCMNGR-RKDXNWHRSA-N -1 0 311.342 -0.549 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3cn[nH]n3)C2)c1[O-] ZINC001013139304 813108636 /nfs/dbraw/zinc/10/86/36/813108636.db2.gz CFXIPVRJUDIBSD-POYBYMJQSA-N -1 0 319.325 -0.425 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C2CCC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013420434 813139665 /nfs/dbraw/zinc/13/96/65/813139665.db2.gz CTSMRMZMGPGKKY-APPZFPTMSA-N -1 0 321.337 -0.198 20 0 DBADRM C/C=C(\C)C(=O)N1C[C@@H]2C(NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001013525354 813143800 /nfs/dbraw/zinc/14/38/00/813143800.db2.gz YTZIOFZIMFSHGY-SPNUPICYSA-N -1 0 321.337 -0.772 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3nc[nH]n3)C2)c1[O-] ZINC001013643252 813156573 /nfs/dbraw/zinc/15/65/73/813156573.db2.gz UJHYKSQDYQHNOF-HTRCEHHLSA-N -1 0 319.325 -0.425 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3cnon3)C2)c1[O-] ZINC001013823281 813173036 /nfs/dbraw/zinc/17/30/36/813173036.db2.gz RGUPDLSGIITGOJ-SVRRBLITSA-N -1 0 320.309 -0.160 20 0 DBADRM CC(=O)N[C@@]12CCC[C@H]1N(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC001014116095 813210591 /nfs/dbraw/zinc/21/05/91/813210591.db2.gz WAILPLOKNSBRJS-NOZJJQNGSA-N -1 0 309.326 -0.651 20 0 DBADRM Cn1ccc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001014406308 813232399 /nfs/dbraw/zinc/23/23/99/813232399.db2.gz JXFSPDUNLGJAIQ-JTQLQIEISA-N -1 0 305.342 -0.823 20 0 DBADRM Cn1ccc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001014406318 813232668 /nfs/dbraw/zinc/23/26/68/813232668.db2.gz JXFSPDUNLGJAIQ-SNVBAGLBSA-N -1 0 305.342 -0.823 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cn2c(n1)CCC2 ZINC001014480027 813253358 /nfs/dbraw/zinc/25/33/58/813253358.db2.gz NVCQPBUCGUHHPX-SECBINFHSA-N -1 0 317.353 -0.343 20 0 DBADRM O=C(C[C@@H]1CCC(=O)NC1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014702026 813296434 /nfs/dbraw/zinc/29/64/34/813296434.db2.gz VAGIVKYHNWMLPG-UWVGGRQHSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc2n(n1)CCO2 ZINC001014737457 813301419 /nfs/dbraw/zinc/30/14/19/813301419.db2.gz QMNQUIYFPMEEDJ-QMMMGPOBSA-N -1 0 319.325 -0.897 20 0 DBADRM CCOc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001014890810 813331055 /nfs/dbraw/zinc/33/10/55/813331055.db2.gz WUAXBTXZMKDKFB-QMMMGPOBSA-N -1 0 321.341 -0.364 20 0 DBADRM C[C@@H]1[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCCN1C(=O)C1CC1 ZINC001015101748 813369693 /nfs/dbraw/zinc/36/96/93/813369693.db2.gz PZRMPBLCLCXXRR-VXNVDRBHSA-N -1 0 321.337 -0.198 20 0 DBADRM Cn1cncc1CN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015110519 813370517 /nfs/dbraw/zinc/37/05/17/813370517.db2.gz UJOQNIGVABXRFE-MRVPVSSYSA-N -1 0 319.325 -0.979 20 0 DBADRM Cc1cc(CN2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)on1 ZINC001015110987 813370767 /nfs/dbraw/zinc/37/07/67/813370767.db2.gz ZSSVMHFXLVFTSO-MRVPVSSYSA-N -1 0 320.309 -0.416 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2ccccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015110785 813370832 /nfs/dbraw/zinc/37/08/32/813370832.db2.gz WNDCGJMKFSAZLI-SNVBAGLBSA-N -1 0 316.321 -0.318 20 0 DBADRM Cn1cncc1CN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015110520 813371228 /nfs/dbraw/zinc/37/12/28/813371228.db2.gz UJOQNIGVABXRFE-QMMMGPOBSA-N -1 0 319.325 -0.979 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCCN1C(=O)C1CC1 ZINC001015113938 813371650 /nfs/dbraw/zinc/37/16/50/813371650.db2.gz NVZWTSVGAOMYSJ-WCBMZHEXSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(=O)N1CCC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H]1C ZINC001015115636 813372149 /nfs/dbraw/zinc/37/21/49/813372149.db2.gz NEMNNYBDPJUQLL-GZMMTYOYSA-N -1 0 308.338 -0.385 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@H]2CCN(CC(N)=O)C2)cc1=O ZINC001015138607 813378573 /nfs/dbraw/zinc/37/85/73/813378573.db2.gz ZZPCXMNNBGDPOG-NSHDSACASA-N -1 0 323.397 -0.949 20 0 DBADRM COc1cnc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nc1 ZINC001015213493 813391794 /nfs/dbraw/zinc/39/17/94/813391794.db2.gz VOVYKOJHIHWXEB-QMMMGPOBSA-N -1 0 319.325 -0.687 20 0 DBADRM Cc1cc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001015258127 813399306 /nfs/dbraw/zinc/39/93/06/813399306.db2.gz WJCMLIXRZFLBPF-SNVBAGLBSA-N -1 0 319.369 -0.515 20 0 DBADRM CCC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001015264412 813400671 /nfs/dbraw/zinc/40/06/71/813400671.db2.gz LPWUHKOPTXUPES-NXEZZACHSA-N -1 0 322.365 -0.089 20 0 DBADRM CN1C(=O)CC[C@@H]1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015493495 813435807 /nfs/dbraw/zinc/43/58/07/813435807.db2.gz PEWWZEBCYQRABX-VHSXEESVSA-N -1 0 322.369 -0.788 20 0 DBADRM O=C(N[C@@H]1CC[C@@H](CNC(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015504809 813439067 /nfs/dbraw/zinc/43/90/67/813439067.db2.gz MYLZEMMJMHXHMC-VXNVDRBHSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@]1(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCC(=O)NC1 ZINC001015591663 813469496 /nfs/dbraw/zinc/46/94/96/813469496.db2.gz IDVGDWMRQVFTRE-XPTSAGLGSA-N -1 0 322.369 -0.883 20 0 DBADRM COc1cncc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001015801060 813529009 /nfs/dbraw/zinc/52/90/09/813529009.db2.gz JUXWWXQNUAVVCZ-QMMMGPOBSA-N -1 0 319.325 -0.687 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nc(C)n1 ZINC001015838240 813539687 /nfs/dbraw/zinc/53/96/87/813539687.db2.gz JTVPHVQCAYDOIL-JTQLQIEISA-N -1 0 317.353 -0.079 20 0 DBADRM CCc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001015897584 813555385 /nfs/dbraw/zinc/55/53/85/813555385.db2.gz RMDVAQVDWZJABJ-JTQLQIEISA-N -1 0 319.369 -0.190 20 0 DBADRM COCc1nc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001015918120 813564489 /nfs/dbraw/zinc/56/44/89/813564489.db2.gz ROCFPQSOWUTZSW-QMMMGPOBSA-N -1 0 322.325 -0.351 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016044853 813594541 /nfs/dbraw/zinc/59/45/41/813594541.db2.gz IGOGYTZXPYBQCC-MNOVXSKESA-N -1 0 322.369 -0.788 20 0 DBADRM Cc1ncc(CN2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001016111519 813600250 /nfs/dbraw/zinc/60/02/50/813600250.db2.gz RMXKEXWTJFFZQC-VIFPVBQESA-N -1 0 322.325 -0.624 20 0 DBADRM CCc1ncncc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016276295 813639365 /nfs/dbraw/zinc/63/93/65/813639365.db2.gz WEPTYKRZZZVKGC-SECBINFHSA-N -1 0 317.353 -0.133 20 0 DBADRM CN1C[C@@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCC1=O ZINC001016355512 813657566 /nfs/dbraw/zinc/65/75/66/813657566.db2.gz XEQKUZDAUBNRHO-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn(C)c1 ZINC001016448467 813673953 /nfs/dbraw/zinc/67/39/53/813673953.db2.gz JGMJWRNNXRTHTH-KOLCDFICSA-N -1 0 319.369 -0.262 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001016791198 813720099 /nfs/dbraw/zinc/72/00/99/813720099.db2.gz DWWWLTOILOXRAE-MDVIFZSFSA-N -1 0 321.337 -0.342 20 0 DBADRM O=C(N[C@@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2)c1cnon1 ZINC001016890467 813740194 /nfs/dbraw/zinc/74/01/94/813740194.db2.gz VHVDPCFKDFTIJL-SECBINFHSA-N -1 0 319.325 -0.322 20 0 DBADRM COCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001017705145 813826150 /nfs/dbraw/zinc/82/61/50/813826150.db2.gz UHOJGECMGZHSGN-DTORHVGOSA-N -1 0 309.326 -0.782 20 0 DBADRM CCC(=O)N[C@H]1CC[C@H](C)N(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001017862168 813843575 /nfs/dbraw/zinc/84/35/75/813843575.db2.gz PIVFICJSEKWJCE-YUMQZZPRSA-N -1 0 309.326 -0.198 20 0 DBADRM CC(=O)N[C@H]1CC[C@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001017878610 813846799 /nfs/dbraw/zinc/84/67/99/813846799.db2.gz YDPPTHMELUJBEN-WPRPVWTQSA-N -1 0 308.338 -0.385 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)C2CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001017888279 813847297 /nfs/dbraw/zinc/84/72/97/813847297.db2.gz AKMCPIBDGJMRLS-PSASIEDQSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)C2CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001017890551 813847883 /nfs/dbraw/zinc/84/78/83/813847883.db2.gz MOLFBEDZCUKSLM-CBAPKCEASA-N -1 0 321.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)C(N)=O)C2)c1[O-] ZINC001018088212 813862541 /nfs/dbraw/zinc/86/25/41/813862541.db2.gz NDYJPNXMFRLZBE-SVRRBLITSA-N -1 0 309.326 -0.982 20 0 DBADRM CCC(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@H]1C ZINC001018288318 813887554 /nfs/dbraw/zinc/88/75/54/813887554.db2.gz IRARKFXAUZPMSE-HTQZYQBOSA-N -1 0 309.326 -0.198 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)C1CC1 ZINC001018309015 813888924 /nfs/dbraw/zinc/88/89/24/813888924.db2.gz ZUGSCVAMVBBLND-WPRPVWTQSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC[C@@H]1C ZINC001018600475 813935315 /nfs/dbraw/zinc/93/53/15/813935315.db2.gz ZJYJLIXTQWXZSV-GXSJLCMTSA-N -1 0 322.365 -0.280 20 0 DBADRM CC(=O)N1CC2(C1)CCN(C(=O)CCc1n[nH]c(=O)[n-]c1=O)C2 ZINC001018653722 813951197 /nfs/dbraw/zinc/95/11/97/813951197.db2.gz PQGZKUJLVCSTBT-UHFFFAOYSA-N -1 0 321.337 -0.704 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](NCc2cnsn2)C1 ZINC001019094590 814068873 /nfs/dbraw/zinc/06/88/73/814068873.db2.gz BRTNHOPAEGQZQU-LURJTMIESA-N -1 0 323.338 -0.861 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](NCc2csnn2)C1 ZINC001019094621 814069304 /nfs/dbraw/zinc/06/93/04/814069304.db2.gz DLZFRRLMEVQZNH-LURJTMIESA-N -1 0 323.338 -0.861 20 0 DBADRM CCC(=O)N1CCC2(CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC001019242073 814102851 /nfs/dbraw/zinc/10/28/51/814102851.db2.gz NXZYEQRNTMEUBC-UHFFFAOYSA-N -1 0 309.326 -0.840 20 0 DBADRM CCc1cc(C(=O)N2CC[C@H](NCc3nc(=O)n(C)[nH]3)C2)no1 ZINC001019673549 814216938 /nfs/dbraw/zinc/21/69/38/814216938.db2.gz YKBNMHDTOBVVBR-VIFPVBQESA-N -1 0 320.353 -0.337 20 0 DBADRM Cc1nc(CN[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)co1 ZINC001019710759 814221844 /nfs/dbraw/zinc/22/18/44/814221844.db2.gz UGEOJPUAUQGORD-VIFPVBQESA-N -1 0 322.325 -0.624 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](N[C@H](C)c3nnnn3C)C2)c1[O-] ZINC001020079561 814287650 /nfs/dbraw/zinc/28/76/50/814287650.db2.gz ZNUJYWNXJHVUBD-IWSPIJDZSA-N -1 0 320.357 -0.441 20 0 DBADRM CN(C(=O)c1cnc[nH]c1=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033179673 814437265 /nfs/dbraw/zinc/43/72/65/814437265.db2.gz ZEEQIQDZVINHSB-MRVPVSSYSA-N -1 0 319.325 -0.648 20 0 DBADRM CN(C(=O)[C@]1(C)CCC(=O)N1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033397199 814501834 /nfs/dbraw/zinc/50/18/34/814501834.db2.gz SPLUQWVQVQWPKA-OTYXRUKQSA-N -1 0 322.369 -0.788 20 0 DBADRM Cc1ccnn1CC(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033481726 814518812 /nfs/dbraw/zinc/51/88/12/814518812.db2.gz ZYCYNXWGNFLOKO-LLVKDONJSA-N -1 0 319.369 -0.252 20 0 DBADRM Cc1c[nH]c(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001033493871 814521942 /nfs/dbraw/zinc/52/19/42/814521942.db2.gz ASAFOBMGIXLISB-VIFPVBQESA-N -1 0 305.342 -0.112 20 0 DBADRM CN(C(=O)[C@@]1(C)CCOC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033536263 814534569 /nfs/dbraw/zinc/53/45/69/814534569.db2.gz KWKDZKBEYFSXHM-YGRLFVJLSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1nonc1CC(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033538177 814535068 /nfs/dbraw/zinc/53/50/68/814535068.db2.gz RNTMPHISGHXKKW-SECBINFHSA-N -1 0 321.341 -0.523 20 0 DBADRM Cc1nc[nH]c1CC(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033620592 814554795 /nfs/dbraw/zinc/55/47/95/814554795.db2.gz RBBMAQCDGQCIRO-JTQLQIEISA-N -1 0 319.369 -0.183 20 0 DBADRM CCN(C(=O)c1cn(C)nn1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033824999 814592666 /nfs/dbraw/zinc/59/26/66/814592666.db2.gz VQLPRMXCUZMHCZ-VIFPVBQESA-N -1 0 320.357 -0.625 20 0 DBADRM CCN(C(=O)[C@@H]1CCNC1=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033919876 814607695 /nfs/dbraw/zinc/60/76/95/814607695.db2.gz OCICFXKCHNTJSQ-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM CCN(C(=O)c1n[nH]nc1C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033924628 814609930 /nfs/dbraw/zinc/60/99/30/814609930.db2.gz ZGPAJKTYRRQPJZ-VIFPVBQESA-N -1 0 320.357 -0.327 20 0 DBADRM Cn1nncc1C(=O)N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034195053 814645175 /nfs/dbraw/zinc/64/51/75/814645175.db2.gz SAJSYIALNIHVAQ-SECBINFHSA-N -1 0 320.357 -0.577 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034341690 814667236 /nfs/dbraw/zinc/66/72/36/814667236.db2.gz YGAVMLNUQLLLPP-SECBINFHSA-N -1 0 320.357 -0.279 20 0 DBADRM O=C(Cc1c[nH]cn1)N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034418966 814679379 /nfs/dbraw/zinc/67/93/79/814679379.db2.gz INKDWRVOACLYNR-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnon1 ZINC001034450641 814683617 /nfs/dbraw/zinc/68/36/17/814683617.db2.gz NKHCACATOJVMLA-MRVPVSSYSA-N -1 0 307.314 -0.322 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1cccnc1 ZINC001035264312 814872097 /nfs/dbraw/zinc/87/20/97/814872097.db2.gz FVJLZXQYJGIZAF-LLVKDONJSA-N -1 0 318.337 -0.464 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@H]1CCCO1 ZINC001035280912 814875946 /nfs/dbraw/zinc/87/59/46/814875946.db2.gz CJAATSBPQFCZMC-VHSXEESVSA-N -1 0 311.342 -0.994 20 0 DBADRM Cc1ncc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)[nH]1 ZINC001035318358 814891691 /nfs/dbraw/zinc/89/16/91/814891691.db2.gz UTAWESYVHMGVRE-VIFPVBQESA-N -1 0 321.341 -0.827 20 0 DBADRM Cc1cc[nH]c1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035353157 814902844 /nfs/dbraw/zinc/90/28/44/814902844.db2.gz BCFCTUVNQHDUNL-JTQLQIEISA-N -1 0 320.353 -0.222 20 0 DBADRM O=C(c1ncc[nH]1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001042051972 815812071 /nfs/dbraw/zinc/81/20/71/815812071.db2.gz QFHGTBFJJXEHAZ-NXEZZACHSA-N -1 0 317.353 -0.030 20 0 DBADRM O=C(c1cnon1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001042278961 815876522 /nfs/dbraw/zinc/87/65/22/815876522.db2.gz CINONLJSFZPQHN-PSASIEDQSA-N -1 0 319.325 -0.370 20 0 DBADRM C/C=C(/C)C(=O)NCC1(O)CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001042431317 815911309 /nfs/dbraw/zinc/91/13/09/815911309.db2.gz RRIUBAOKIKMDBY-YWEYNIOJSA-N -1 0 308.338 -0.307 20 0 DBADRM CCc1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001042493662 815927900 /nfs/dbraw/zinc/92/79/00/815927900.db2.gz QETSJUQHOVBEHM-UHFFFAOYSA-N -1 0 305.342 -0.248 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)CC3CC3)C2)c1[O-] ZINC001042571840 815955363 /nfs/dbraw/zinc/95/53/63/815955363.db2.gz AMYORZUKMSGXJZ-UHFFFAOYSA-N -1 0 308.338 -0.473 20 0 DBADRM CC(C)=CC(=O)N1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001042573101 815956385 /nfs/dbraw/zinc/95/63/85/815956385.db2.gz WMPFBWBDZLPXSN-UHFFFAOYSA-N -1 0 308.338 -0.307 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)C3=CCCC3)C2)c1[O-] ZINC001042573111 815956518 /nfs/dbraw/zinc/95/65/18/815956518.db2.gz WVRYXPBJVGGBKB-UHFFFAOYSA-N -1 0 320.349 -0.163 20 0 DBADRM CC[C@H](F)C(=O)N1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001042580850 815959087 /nfs/dbraw/zinc/95/90/87/815959087.db2.gz VYLSOSKUWZWEFG-QMMMGPOBSA-N -1 0 314.317 -0.525 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN([C@H]3CCCN(C)C3=O)C2)c1[O-] ZINC001042619864 815970383 /nfs/dbraw/zinc/97/03/83/815970383.db2.gz PECIDMBSQCQFSJ-NSHDSACASA-N -1 0 321.381 -0.199 20 0 DBADRM C[C@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnn1C ZINC001042740245 816013408 /nfs/dbraw/zinc/01/34/08/816013408.db2.gz QILBUQGTOWDWCY-VIFPVBQESA-N -1 0 319.369 -0.310 20 0 DBADRM CO[C@H]1CC[C@@H](C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001043149628 816128333 /nfs/dbraw/zinc/12/83/33/816128333.db2.gz GSCUXYANELPMTF-KOLCDFICSA-N -1 0 309.370 -0.032 20 0 DBADRM CC[C@H](CN1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1)OC ZINC001043230894 816149514 /nfs/dbraw/zinc/14/95/14/816149514.db2.gz HQGBEAHJUFETBH-SECBINFHSA-N -1 0 311.342 -0.536 20 0 DBADRM CC[C@@H](CN1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1)OC ZINC001043509493 816206606 /nfs/dbraw/zinc/20/66/06/816206606.db2.gz FFTNWQGGUUIPAT-NSHDSACASA-N -1 0 324.381 -0.333 20 0 DBADRM CN(C(=O)[C@H]1CCCCC(=O)N1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043835527 816284394 /nfs/dbraw/zinc/28/43/94/816284394.db2.gz WCFMXXJHGJZLJX-SNVBAGLBSA-N -1 0 322.369 -0.788 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3nccc(C)n3)C[C@@H]2O)c1[O-] ZINC001043893362 816308706 /nfs/dbraw/zinc/30/87/06/816308706.db2.gz OCWUGRFJPMPGPG-ZJUUUORDSA-N -1 0 318.337 -0.498 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3cc(C)ncn3)C[C@@H]2O)c1[O-] ZINC001043893204 816308910 /nfs/dbraw/zinc/30/89/10/816308910.db2.gz MRGOIBAJUJNSDZ-ZJUUUORDSA-N -1 0 318.337 -0.498 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)CC3(C)CC3)C2)c1[O-] ZINC001043933761 816320266 /nfs/dbraw/zinc/32/02/66/816320266.db2.gz GKEURXPTYMJWHS-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM Cc1n[nH]c(C)c1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044059569 816346945 /nfs/dbraw/zinc/34/69/45/816346945.db2.gz PFUSHIMWQFWIRL-UHFFFAOYSA-N -1 0 305.342 -0.193 20 0 DBADRM CCCn1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001044106178 816357913 /nfs/dbraw/zinc/35/79/13/816357913.db2.gz GBLFBKTVOLPYFW-UHFFFAOYSA-N -1 0 320.357 -0.532 20 0 DBADRM CCn1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001044107600 816357995 /nfs/dbraw/zinc/35/79/95/816357995.db2.gz NMIPIHADKCPIEJ-UHFFFAOYSA-N -1 0 306.330 -0.922 20 0 DBADRM COc1ncc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001044135351 816368545 /nfs/dbraw/zinc/36/85/45/816368545.db2.gz LJTATJYNQXQBIQ-UHFFFAOYSA-N -1 0 319.325 -0.735 20 0 DBADRM CC[C@@H](CN1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1)OC ZINC001044235826 816389154 /nfs/dbraw/zinc/38/91/54/816389154.db2.gz DJAKEGDGZXQDFE-JTQLQIEISA-N -1 0 313.358 -0.743 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(CCC(F)(F)F)C1 ZINC001044236323 816389617 /nfs/dbraw/zinc/38/96/17/816389617.db2.gz KGOTVEIGHASFDE-UHFFFAOYSA-N -1 0 323.275 -0.216 20 0 DBADRM CCc1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001044374008 816428169 /nfs/dbraw/zinc/42/81/69/816428169.db2.gz FVTFLQOSBATQEH-UHFFFAOYSA-N -1 0 319.369 -0.237 20 0 DBADRM C[C@@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001045198475 816587077 /nfs/dbraw/zinc/58/70/77/816587077.db2.gz OBCWLJNYAUXAAB-LKFCYVNXSA-N -1 0 322.369 -0.883 20 0 DBADRM Cn1cnc(C(=O)NC2(C)CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001045431098 816631661 /nfs/dbraw/zinc/63/16/61/816631661.db2.gz JWQFHTBCQMOYLJ-UHFFFAOYSA-N -1 0 320.357 -0.577 20 0 DBADRM CC1(NC(=O)[C@H]2CCNC2=O)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001045524633 816645283 /nfs/dbraw/zinc/64/52/83/816645283.db2.gz PNXDYIUYYCDERQ-VIFPVBQESA-N -1 0 322.369 -0.883 20 0 DBADRM CC1(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001045528031 816646874 /nfs/dbraw/zinc/64/68/74/816646874.db2.gz MWOQLPIBWPPUCW-IAZYJMLFSA-N -1 0 321.381 -0.127 20 0 DBADRM CC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001045558181 816657403 /nfs/dbraw/zinc/65/74/03/816657403.db2.gz HYDQUPNUEHKZSD-BDAKNGLRSA-N -1 0 322.369 -0.898 20 0 DBADRM NC(=O)C(=O)N1CCCC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001045962984 816703798 /nfs/dbraw/zinc/70/37/98/816703798.db2.gz VEAQUWFNEBWCBO-CQSZACIVSA-N -1 0 322.369 -0.800 20 0 DBADRM C[C@]1(NC(=O)[C@@H]2CCNC(=O)C2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046235595 816788861 /nfs/dbraw/zinc/78/88/61/816788861.db2.gz IGBFPWOEEGDMGW-OTYXRUKQSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(CC(=O)N(C)C)C2)c1[O-] ZINC001046241155 816791018 /nfs/dbraw/zinc/79/10/18/816791018.db2.gz ZYBSHJXGTTUOMI-AWEZNQCLSA-N -1 0 309.370 -0.294 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(Cc3ncnn3C)C2)c1[O-] ZINC001046246811 816793196 /nfs/dbraw/zinc/79/31/96/816793196.db2.gz QAZDAICSRSJQBS-AWEZNQCLSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(Cc3cn(C)nn3)C2)c1[O-] ZINC001046246645 816793216 /nfs/dbraw/zinc/79/32/16/816793216.db2.gz LYKACLWYHHSKCT-AWEZNQCLSA-N -1 0 319.369 -0.053 20 0 DBADRM Cn1oc(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)cc1=O ZINC001046275111 816799487 /nfs/dbraw/zinc/79/94/87/816799487.db2.gz NXHRAPXFSBFSOF-CYBMUJFWSA-N -1 0 322.325 -0.804 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046399351 816837605 /nfs/dbraw/zinc/83/76/05/816837605.db2.gz GYUYSJFWAGYOSZ-ZDUSSCGKSA-N -1 0 321.341 -0.358 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046399350 816838325 /nfs/dbraw/zinc/83/83/25/816838325.db2.gz GYUYSJFWAGYOSZ-CYBMUJFWSA-N -1 0 321.341 -0.358 20 0 DBADRM C[C@@]1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(Cc2cnon2)C1 ZINC001046453778 816855470 /nfs/dbraw/zinc/85/54/70/816855470.db2.gz JTMBROJXKBMHCO-GFCCVEGCSA-N -1 0 321.297 -0.940 20 0 DBADRM C[C@@]1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(Cc2ccon2)C1 ZINC001046455009 816856355 /nfs/dbraw/zinc/85/63/55/816856355.db2.gz UQTPCWXAQMUAIS-CYBMUJFWSA-N -1 0 320.309 -0.335 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046526794 816869150 /nfs/dbraw/zinc/86/91/50/816869150.db2.gz CJAPOZHEVUCVLF-LBPRGKRZSA-N -1 0 306.330 -0.669 20 0 DBADRM Cc1nonc1C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046876910 816968257 /nfs/dbraw/zinc/96/82/57/816968257.db2.gz KXBBDXQLFVNAKG-GFCCVEGCSA-N -1 0 307.314 -0.404 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC34CC4)C2)c1[O-] ZINC001047141477 817013693 /nfs/dbraw/zinc/01/36/93/817013693.db2.gz UJJXSVHGZTZPKQ-SECBINFHSA-N -1 0 320.349 -0.473 20 0 DBADRM CN(C(=O)C1CCCC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047278487 817034054 /nfs/dbraw/zinc/03/40/54/817034054.db2.gz SPGQZNTYMGADJY-QWRGUYRKSA-N -1 0 309.370 -0.296 20 0 DBADRM CN(C(=O)c1cscn1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047323259 817062809 /nfs/dbraw/zinc/06/28/09/817062809.db2.gz OKUFLKLMPFHWLE-IUCAKERBSA-N -1 0 324.366 -0.716 20 0 DBADRM CN(C(=O)c1ccns1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047398110 817107716 /nfs/dbraw/zinc/10/77/16/817107716.db2.gz CQJNMUFVCHOMKW-YUMQZZPRSA-N -1 0 324.366 -0.716 20 0 DBADRM CN(C(=O)[C@H]1CC12CCC2)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047549850 817194807 /nfs/dbraw/zinc/19/48/07/817194807.db2.gz XGRCHVICDCVUES-VWYCJHECSA-N -1 0 321.381 -0.296 20 0 DBADRM CN(C(=O)Cc1ccc[nH]1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047636502 817245875 /nfs/dbraw/zinc/24/58/75/817245875.db2.gz ITSMJJQPHUSNQB-QWRGUYRKSA-N -1 0 320.353 -0.915 20 0 DBADRM CCO[C@H]1C[C@@H]1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048699757 817404716 /nfs/dbraw/zinc/40/47/16/817404716.db2.gz WBLBTGYJLMUQMF-USZNOCQGSA-N -1 0 321.381 -0.175 20 0 DBADRM O=C([C@@H]1CCCOC1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048720950 817411780 /nfs/dbraw/zinc/41/17/80/817411780.db2.gz WMVTYAAJDIAFHD-UTUOFQBUSA-N -1 0 321.381 -0.173 20 0 DBADRM O=C(Cc1ccon1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048732714 817418451 /nfs/dbraw/zinc/41/84/51/817418451.db2.gz LYJKYKUAIDSFNJ-AOOOYVTPSA-N -1 0 318.337 -0.369 20 0 DBADRM O=C(N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1)[C@]12C[C@H]1COC2 ZINC001048830767 817455948 /nfs/dbraw/zinc/45/59/48/817455948.db2.gz TXAUYLWPCWSZQZ-DDIVZENXSA-N -1 0 319.365 -0.563 20 0 DBADRM C[C@H]1CO[C@H](C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)C1 ZINC001048945177 817487674 /nfs/dbraw/zinc/48/76/74/817487674.db2.gz KWFFXQVYDXFQQO-WYUUTHIRSA-N -1 0 321.381 -0.175 20 0 DBADRM CC(=O)N1CC[C@H]([C@@H](C)NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001049659877 817622740 /nfs/dbraw/zinc/62/27/40/817622740.db2.gz ZRUCATMNMDWZAJ-SCZZXKLOSA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001049684152 817626350 /nfs/dbraw/zinc/62/63/50/817626350.db2.gz DLTUTYWJLSNBQR-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(c1cnon1)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001050167017 817687984 /nfs/dbraw/zinc/68/79/84/817687984.db2.gz HUJNNTIMMXQOFF-WCBMZHEXSA-N -1 0 319.325 -0.370 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCO1 ZINC001050807712 817762354 /nfs/dbraw/zinc/76/23/54/817762354.db2.gz VPXVTNDBZFOJIZ-ZJUUUORDSA-N -1 0 311.342 -0.994 20 0 DBADRM Cc1ocnc1C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001050836215 817770810 /nfs/dbraw/zinc/77/08/10/817770810.db2.gz NREHBEIDISUJQN-SECBINFHSA-N -1 0 322.325 -0.562 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)C1CC=CC1 ZINC001050852695 817778850 /nfs/dbraw/zinc/77/88/50/817778850.db2.gz QMHMJWCALDUMMN-NSHDSACASA-N -1 0 307.354 -0.207 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001050873667 817781481 /nfs/dbraw/zinc/78/14/81/817781481.db2.gz VODYORWETANSHK-NXEZZACHSA-N -1 0 309.370 -0.127 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)C1=CCCC1 ZINC001050874186 817782626 /nfs/dbraw/zinc/78/26/26/817782626.db2.gz HTJIVVOHDTYQAJ-NSHDSACASA-N -1 0 307.354 -0.062 20 0 DBADRM CO[C@@H](C)CN1CCOC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001050875450 817782736 /nfs/dbraw/zinc/78/27/36/817782736.db2.gz BZSKOMJOGPGAQX-GXSJLCMTSA-N -1 0 312.370 -0.111 20 0 DBADRM O=C(NC[C@H]1COCCN1CC1CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001051006089 817821824 /nfs/dbraw/zinc/82/18/24/817821824.db2.gz JRNDMDGCNUOKDE-JTQLQIEISA-N -1 0 323.353 -0.487 20 0 DBADRM CCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001051314351 817898511 /nfs/dbraw/zinc/89/85/11/817898511.db2.gz MDKOFZVPDACIHJ-IUCAKERBSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@H]1CN(C(=O)C2CC2)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001051720954 818016586 /nfs/dbraw/zinc/01/65/86/818016586.db2.gz KKPVEYLUEADXNX-WCBMZHEXSA-N -1 0 323.353 -0.690 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)[C@H]1CC12CC2 ZINC001053937590 818046048 /nfs/dbraw/zinc/04/60/48/818046048.db2.gz GWPZUOBHKKNUCC-VHSXEESVSA-N -1 0 319.365 -0.230 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1COC2(CN(CC3CC3)C2)C1 ZINC001053993784 818064588 /nfs/dbraw/zinc/06/45/88/818064588.db2.gz URDBQWCFNUQWSP-SNVBAGLBSA-N -1 0 323.353 -0.941 20 0 DBADRM COCC(=O)N1CCC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001054060517 818078058 /nfs/dbraw/zinc/07/80/58/818078058.db2.gz AENCCIYMIDKTCU-CQSZACIVSA-N -1 0 309.370 -0.029 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H](NCc3nnn(C)n3)C2)c1[O-] ZINC001054569730 818141058 /nfs/dbraw/zinc/14/10/58/818141058.db2.gz GQUXQLYIQFXRTK-IONNQARKSA-N -1 0 320.357 -0.802 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001054572200 818141788 /nfs/dbraw/zinc/14/17/88/818141788.db2.gz MIBAYFBZYWZSEC-POYBYMJQSA-N -1 0 321.341 -0.502 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](NCc3nnnn3C)C2)c1[O-] ZINC001054582114 818143076 /nfs/dbraw/zinc/14/30/76/818143076.db2.gz QZIDWHBJXGQOMH-APPZFPTMSA-N -1 0 320.357 -0.802 20 0 DBADRM CCC(=O)N1CCC[C@@](CO)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001055887525 818326478 /nfs/dbraw/zinc/32/64/78/818326478.db2.gz JRPIKKNTFLFTCI-CQSZACIVSA-N -1 0 310.354 -0.083 20 0 DBADRM Cc1cc(N2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)ncn1 ZINC001056082943 818366418 /nfs/dbraw/zinc/36/64/18/818366418.db2.gz BZIFDDHICYFJFG-UHFFFAOYSA-N -1 0 317.309 -0.656 20 0 DBADRM Cc1ccc(N[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)nn1 ZINC001056680975 818434383 /nfs/dbraw/zinc/43/43/83/818434383.db2.gz NQRGZMZCHIEMNO-SECBINFHSA-N -1 0 319.325 -0.499 20 0 DBADRM Cc1nsc(N[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001056823546 818491807 /nfs/dbraw/zinc/49/18/07/818491807.db2.gz OZPSVQYKJRCLIG-ZCFIWIBFSA-N -1 0 323.338 -0.231 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)c2cocn2)c1[O-] ZINC001057197970 818640337 /nfs/dbraw/zinc/64/03/37/818640337.db2.gz JCQQLXRBEOERRL-UHFFFAOYSA-N -1 0 323.309 -0.724 20 0 DBADRM C/C=C(\C)C(=O)N(CCO)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001057302263 818680787 /nfs/dbraw/zinc/68/07/87/818680787.db2.gz DASHGODREXYLKJ-RUDMXATFSA-N -1 0 310.354 -0.059 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)C(F)F)c1[O-] ZINC001057353691 818696367 /nfs/dbraw/zinc/69/63/67/818696367.db2.gz CKBPOYCRSWPEHS-UHFFFAOYSA-N -1 0 306.269 -0.760 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(Nc2ncccn2)CC1 ZINC001057351699 818696428 /nfs/dbraw/zinc/69/64/28/818696428.db2.gz AZWZVTPKWVUCMZ-UHFFFAOYSA-N -1 0 319.325 -0.418 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)c2ncc[nH]2)c1[O-] ZINC001057354391 818697247 /nfs/dbraw/zinc/69/72/47/818697247.db2.gz VUZRQTCYVJPEAE-UHFFFAOYSA-N -1 0 322.325 -0.989 20 0 DBADRM CC[C@@H](F)C(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057354185 818697400 /nfs/dbraw/zinc/69/74/00/818697400.db2.gz PIKYSZIWIILEON-SECBINFHSA-N -1 0 316.333 -0.277 20 0 DBADRM O=C(NC1CCN(c2ncccn2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001057975702 818840376 /nfs/dbraw/zinc/84/03/76/818840376.db2.gz CUVUGRLEZRSFHB-UHFFFAOYSA-N -1 0 317.309 -0.528 20 0 DBADRM Cc1nccc(N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001058413280 818945658 /nfs/dbraw/zinc/94/56/58/818945658.db2.gz PTJFGABBNLKUMI-VIFPVBQESA-N -1 0 319.325 -0.817 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)ncn1 ZINC001058413465 818945818 /nfs/dbraw/zinc/94/58/18/818945818.db2.gz VHXKMOQRGZYLDE-SECBINFHSA-N -1 0 319.325 -0.817 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(c2nccnc2F)C1 ZINC001058413210 818945985 /nfs/dbraw/zinc/94/59/85/818945985.db2.gz OCJQBNRMJZKFDF-ZETCQYMHSA-N -1 0 323.288 -0.987 20 0 DBADRM CCC1(C(=O)N(CCO)CCNC(=O)c2cnc[nH]c2=O)CC1 ZINC001058738978 819036771 /nfs/dbraw/zinc/03/67/71/819036771.db2.gz ZMLOGMHGKLSHGO-UHFFFAOYSA-N -1 0 322.365 -0.077 20 0 DBADRM Cc1nccc(N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001058936383 819081035 /nfs/dbraw/zinc/08/10/35/819081035.db2.gz HSIBSTHZQPCREX-VIFPVBQESA-N -1 0 319.325 -0.499 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](Nc2ncccn2)C1 ZINC001058936475 819081500 /nfs/dbraw/zinc/08/15/00/819081500.db2.gz LPUVDOJNAYXXFW-QMMMGPOBSA-N -1 0 305.298 -0.808 20 0 DBADRM O=C(NCC[C@H]1CCN(C(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001058988211 819095355 /nfs/dbraw/zinc/09/53/55/819095355.db2.gz YMGKCVHIBHXCJP-QMMMGPOBSA-N -1 0 321.337 -0.339 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](Nc2ncc(F)cn2)C1 ZINC001059270844 819126697 /nfs/dbraw/zinc/12/66/97/819126697.db2.gz QXJINGIMRJRVET-ZKCHVHJHSA-N -1 0 323.288 -0.622 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](Nc2cccc(F)n2)C1 ZINC001059270751 819127143 /nfs/dbraw/zinc/12/71/43/819127143.db2.gz LIRGGZXQAHQREI-ZKCHVHJHSA-N -1 0 322.300 -0.017 20 0 DBADRM Cc1nccc(N[C@H]2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001059689595 819166903 /nfs/dbraw/zinc/16/69/03/819166903.db2.gz UAMNIQREACKOEV-DTORHVGOSA-N -1 0 319.325 -0.453 20 0 DBADRM Cc1ccc(N[C@H]2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)nn1 ZINC001059689622 819167091 /nfs/dbraw/zinc/16/70/91/819167091.db2.gz VPMDPYSIHOKUCQ-DTORHVGOSA-N -1 0 319.325 -0.453 20 0 DBADRM Cc1cc(N[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)ncn1 ZINC001059882348 819183502 /nfs/dbraw/zinc/18/35/02/819183502.db2.gz HERBXPKVUAHXJH-OCAPTIKFSA-N -1 0 317.309 -0.246 20 0 DBADRM CC(=O)NCC(=O)NC[C@H]1CC[C@H](NC(=O)c2cn[nH]n2)CC1 ZINC001060757765 819229562 /nfs/dbraw/zinc/22/95/62/819229562.db2.gz FZLOOTLABBEWSP-XYPYZODXSA-N -1 0 322.369 -0.654 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](CNc2ncccn2)C1 ZINC001060902281 819238522 /nfs/dbraw/zinc/23/85/22/819238522.db2.gz KUXHBWTZRBMIJU-SECBINFHSA-N -1 0 319.325 -0.560 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](CNc2ncccn2)C1 ZINC001061028724 819244977 /nfs/dbraw/zinc/24/49/77/819244977.db2.gz IPKYPYABHVBCOT-MRVPVSSYSA-N -1 0 317.309 -0.353 20 0 DBADRM COCC(=O)NC[C@H]1COCCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001061195534 819267088 /nfs/dbraw/zinc/26/70/88/819267088.db2.gz JWLANCVRGIAUFY-VIFPVBQESA-N -1 0 312.326 -0.973 20 0 DBADRM O=C(CC1CC1)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001062388657 819476639 /nfs/dbraw/zinc/47/66/39/819476639.db2.gz SCSZUYDTNMYLEK-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM CCCC(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001062403745 819479543 /nfs/dbraw/zinc/47/95/43/819479543.db2.gz RRMRWIQKWODPRH-UHFFFAOYSA-N -1 0 311.342 -0.356 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001062434858 819484648 /nfs/dbraw/zinc/48/46/48/819484648.db2.gz DOHKYUYPJCHBMI-HTQZYQBOSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001062434860 819484753 /nfs/dbraw/zinc/48/47/53/819484753.db2.gz DOHKYUYPJCHBMI-SFYZADRCSA-N -1 0 321.337 -0.293 20 0 DBADRM CC(C)C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001062559319 819505183 /nfs/dbraw/zinc/50/51/83/819505183.db2.gz HNKUHJWIICLNID-UHFFFAOYSA-N -1 0 309.326 -0.293 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3cn[nH]n3)CCC2)c1[O-] ZINC001062806241 819542873 /nfs/dbraw/zinc/54/28/73/819542873.db2.gz CTQNWLISAFZOSO-UHFFFAOYSA-N -1 0 319.325 -0.376 20 0 DBADRM CC(=O)NCC(=O)NC1(CNC(=O)c2[nH]nc(C)c2[O-])CCC1 ZINC001062806945 819543023 /nfs/dbraw/zinc/54/30/23/819543023.db2.gz YCVNGXKHLDNOMT-UHFFFAOYSA-N -1 0 323.353 -0.671 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCN(c2ncccn2)C1 ZINC001063074337 819579359 /nfs/dbraw/zinc/57/93/59/819579359.db2.gz CUIOLKMYNCASKU-MRVPVSSYSA-N -1 0 317.309 -0.576 20 0 DBADRM CC1(C(=O)NCC2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CCC2)CC1 ZINC001063308295 819594660 /nfs/dbraw/zinc/59/46/60/819594660.db2.gz JBVKNLHZYMRAKP-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H]1CNc1ncccn1 ZINC001063504351 819609066 /nfs/dbraw/zinc/60/90/66/819609066.db2.gz HCVCENLBPQFNBB-SECBINFHSA-N -1 0 319.325 -0.418 20 0 DBADRM C/C=C(/C)C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001063866246 819641553 /nfs/dbraw/zinc/64/15/53/819641553.db2.gz YJKXMELGHGSDFJ-OQFOIZHKSA-N -1 0 323.353 -0.189 20 0 DBADRM COCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])CCO1 ZINC001065048847 819807994 /nfs/dbraw/zinc/80/79/94/819807994.db2.gz SOEZMGPOWYCXCX-SECBINFHSA-N -1 0 312.326 -0.973 20 0 DBADRM CC(=O)N(C)CCCN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001066573784 820019256 /nfs/dbraw/zinc/01/92/56/820019256.db2.gz AORLBCBHTCJUDW-UHFFFAOYSA-N -1 0 311.342 -0.458 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1Nc1ncccn1 ZINC001067128142 820074574 /nfs/dbraw/zinc/07/45/74/820074574.db2.gz YESOXLLDHHKUDN-IUCAKERBSA-N -1 0 319.325 -0.562 20 0 DBADRM C[C@@H]1[C@@H](Nc2ncccn2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001068979636 820273936 /nfs/dbraw/zinc/27/39/36/820273936.db2.gz IQIHRHFBTLKGAF-SFYZADRCSA-N -1 0 317.309 -0.212 20 0 DBADRM CCC1(NC(C)=O)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001069509148 820298303 /nfs/dbraw/zinc/29/83/03/820298303.db2.gz YWDBVEFDVUWTRF-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM Cc1n[nH]c(C(=O)NCc2cnn3c2CN(CCO)CC3)c1[O-] ZINC001069857879 820315499 /nfs/dbraw/zinc/31/54/99/820315499.db2.gz QKFSGUBPASYDPJ-UHFFFAOYSA-N -1 0 320.353 -0.642 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CCF)C[C@@H]2n2ccnn2)c1[O-] ZINC001069909846 820339837 /nfs/dbraw/zinc/33/98/37/820339837.db2.gz SEMVMAMHUJTUTD-ZJUUUORDSA-N -1 0 323.332 -0.360 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001070369119 820453651 /nfs/dbraw/zinc/45/36/51/820453651.db2.gz JOKDOCACNHFEMK-SNVBAGLBSA-N -1 0 323.353 -0.719 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001070921534 820562740 /nfs/dbraw/zinc/56/27/40/820562740.db2.gz BYDAXOJCIDGLDO-SNVBAGLBSA-N -1 0 311.342 -0.403 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001071058192 820614974 /nfs/dbraw/zinc/61/49/74/820614974.db2.gz DSIDELVZYQKBLO-OTVCUZDGSA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)C2=COCCO2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071329355 820670672 /nfs/dbraw/zinc/67/06/72/820670672.db2.gz KDQAWFIUNWFKDR-ZJUUUORDSA-N -1 0 323.353 -0.132 20 0 DBADRM CC(=O)N1C[C@@H](C)[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001071421603 820679249 /nfs/dbraw/zinc/67/92/49/820679249.db2.gz GGTRUGNYFJJDDV-PSASIEDQSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](C)C1 ZINC001071421606 820680716 /nfs/dbraw/zinc/68/07/16/820680716.db2.gz GGTRUGNYFJJDDV-WPRPVWTQSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001071426214 820681558 /nfs/dbraw/zinc/68/15/58/820681558.db2.gz UNUIDDZMQPGZNA-GMSGAONNSA-N -1 0 309.326 -0.802 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)c2cnnn2C)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071482428 820694922 /nfs/dbraw/zinc/69/49/22/820694922.db2.gz YWPYPHIYWIFJTQ-DTWKUNHWSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)Cn2nccn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071534941 820712088 /nfs/dbraw/zinc/71/20/88/820712088.db2.gz VYUDUKPJISSBSW-VHSXEESVSA-N -1 0 320.357 -0.729 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071747333 820767641 /nfs/dbraw/zinc/76/76/41/820767641.db2.gz BREMKFLRQIXMTO-VLLVSFFDSA-N -1 0 321.381 -0.128 20 0 DBADRM CNC(=O)CC(=O)N[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C ZINC001071909151 820804484 /nfs/dbraw/zinc/80/44/84/820804484.db2.gz HTWSPEWDNLPYLC-APPZFPTMSA-N -1 0 323.353 -0.863 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C ZINC001071912599 820806233 /nfs/dbraw/zinc/80/62/33/820806233.db2.gz CIUSLVDPWSSGRW-GMSGAONNSA-N -1 0 323.353 -0.863 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)Cc2ncc[nH]2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071938387 820813897 /nfs/dbraw/zinc/81/38/97/820813897.db2.gz NESNKJGCOIBOEZ-NXEZZACHSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001072115657 820868601 /nfs/dbraw/zinc/86/86/01/820868601.db2.gz AHZPLTFKRWOVAS-IONNQARKSA-N -1 0 321.341 -0.015 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)Cn2ccnc2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001072122088 820870868 /nfs/dbraw/zinc/87/08/68/820870868.db2.gz FNFMZKBZQKKZBO-MNOVXSKESA-N -1 0 319.369 -0.124 20 0 DBADRM O=C(C1CCOCC1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072389115 820912045 /nfs/dbraw/zinc/91/20/45/820912045.db2.gz STLPQNLKMPZEDC-UHFFFAOYSA-N -1 0 321.381 -0.029 20 0 DBADRM O=C(c1cc[nH]n1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072498655 820933838 /nfs/dbraw/zinc/93/38/38/820933838.db2.gz XJMSNFZRQUXHTK-UHFFFAOYSA-N -1 0 303.326 -0.419 20 0 DBADRM O=C(c1cncnc1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072656241 820979334 /nfs/dbraw/zinc/97/93/34/820979334.db2.gz TZEBXZIWVOPQRI-UHFFFAOYSA-N -1 0 315.337 -0.352 20 0 DBADRM CC(=O)N1CCC(C)(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001072806331 821018469 /nfs/dbraw/zinc/01/84/69/821018469.db2.gz JYHMFIMTZZLQOA-UHFFFAOYSA-N -1 0 323.353 -0.267 20 0 DBADRM O=C(C1CC1)N1CC[C@H]2OCCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001074128356 821290258 /nfs/dbraw/zinc/29/02/58/821290258.db2.gz PMJOVERZBMXGLG-WDEREUQCSA-N -1 0 307.354 -0.278 20 0 DBADRM O=C(C(F)F)N1CC[C@H]2OCCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001074137626 821291806 /nfs/dbraw/zinc/29/18/06/821291806.db2.gz UPDGVUZBRWLHQM-JGVFFNPUSA-N -1 0 317.296 -0.423 20 0 DBADRM O=C(C(F)F)N1CC[C@H]2OCCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001074137625 821292325 /nfs/dbraw/zinc/29/23/25/821292325.db2.gz UPDGVUZBRWLHQM-HTQZYQBOSA-N -1 0 317.296 -0.423 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]3OCCN(CCO)[C@@H]3C2)c1[O-] ZINC001074219936 821311545 /nfs/dbraw/zinc/31/15/45/821311545.db2.gz ZJISRTZBMGNPBN-MNOVXSKESA-N -1 0 310.354 -0.669 20 0 DBADRM CCCN1CCO[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001074286342 821327854 /nfs/dbraw/zinc/32/78/54/821327854.db2.gz NCBSNJTVROAUIC-ZJUUUORDSA-N -1 0 323.353 -0.392 20 0 DBADRM CCC(=O)NCC[C@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001075221875 821497225 /nfs/dbraw/zinc/49/72/25/821497225.db2.gz WZWGDACRTQSNIK-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM C[C@@H](CCNC(=O)c1ccco1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001075420482 821517298 /nfs/dbraw/zinc/51/72/98/821517298.db2.gz HPRMXPORSSVBHP-QMMMGPOBSA-N -1 0 323.309 -0.393 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)Cn2cccn2)c1[O-] ZINC001075609353 821555896 /nfs/dbraw/zinc/55/58/96/821555896.db2.gz JUVNPGHDJWPWMG-VIFPVBQESA-N -1 0 320.353 -0.055 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)c2nnc[nH]2)c1[O-] ZINC001076166564 821677906 /nfs/dbraw/zinc/67/79/06/821677906.db2.gz NKZYPRFLWFCIKS-LURJTMIESA-N -1 0 307.314 -0.520 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)[C@H]2CCNC2=O)c1[O-] ZINC001076167072 821677916 /nfs/dbraw/zinc/67/79/16/821677916.db2.gz YSPIOKMDGLXFND-CBAPKCEASA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)c2cn(C)nn2)c1[O-] ZINC001076365089 821731951 /nfs/dbraw/zinc/73/19/51/821731951.db2.gz IOVBGRISGQUNPX-ZETCQYMHSA-N -1 0 321.341 -0.509 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cccs1 ZINC001076701979 821813312 /nfs/dbraw/zinc/81/33/12/821813312.db2.gz ZFJLHYMRODFYLZ-HTQZYQBOSA-N -1 0 309.351 -0.453 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)o1 ZINC001076714348 821820280 /nfs/dbraw/zinc/82/02/80/821820280.db2.gz UWQVBKISYYXLPJ-RKDXNWHRSA-N -1 0 307.310 -0.613 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccc(F)nc1 ZINC001076814428 821872017 /nfs/dbraw/zinc/87/20/17/821872017.db2.gz BXHDABZEWQJVHQ-RKDXNWHRSA-N -1 0 322.300 -0.981 20 0 DBADRM CC[C@H](F)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001076890205 821908233 /nfs/dbraw/zinc/90/82/33/821908233.db2.gz PBTMHMIODWALIY-IVZWLZJFSA-N -1 0 300.334 -0.053 20 0 DBADRM Cc1cnccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076973489 821952300 /nfs/dbraw/zinc/95/23/00/821952300.db2.gz MYEYKDBQLCRHBN-GHMZBOCLSA-N -1 0 318.337 -0.811 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@@H]1CCCC12CC2 ZINC001077225409 822036590 /nfs/dbraw/zinc/03/65/90/822036590.db2.gz WPSFCYJOYVUNRD-HBNTYKKESA-N -1 0 321.381 -0.248 20 0 DBADRM CCC(=O)N[C@@H](C)CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001077300247 822072549 /nfs/dbraw/zinc/07/25/49/822072549.db2.gz PAZQNCGVAOUVJH-QMMMGPOBSA-N -1 0 311.342 -0.364 20 0 DBADRM CC1(C)CC[C@@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077539477 822145784 /nfs/dbraw/zinc/14/57/84/822145784.db2.gz JOKNIOKZOHZRLD-OPRDCNLKSA-N -1 0 309.370 -0.392 20 0 DBADRM CC1(C)CC[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077539474 822145818 /nfs/dbraw/zinc/14/58/18/822145818.db2.gz JOKNIOKZOHZRLD-IVZWLZJFSA-N -1 0 309.370 -0.392 20 0 DBADRM C[C@@H](CCNC(=O)c1cnco1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077562520 822152142 /nfs/dbraw/zinc/15/21/42/822152142.db2.gz KWYKIENJDPEINQ-LURJTMIESA-N -1 0 322.281 -0.791 20 0 DBADRM CC(C)=CC(=O)N[C@@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077577221 822159103 /nfs/dbraw/zinc/15/91/03/822159103.db2.gz WGXXAZIXBIIBIK-QMMMGPOBSA-N -1 0 309.326 -0.126 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC1CC1 ZINC001077577196 822159235 /nfs/dbraw/zinc/15/92/35/822159235.db2.gz UTMMEIXADAEEOU-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077577909 822159260 /nfs/dbraw/zinc/15/92/60/822159260.db2.gz DWHXNPZJRKBCRW-NKWVEPMBSA-N -1 0 315.305 -0.345 20 0 DBADRM CC[C@H](F)C(=O)N[C@@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077577908 822159401 /nfs/dbraw/zinc/15/94/01/822159401.db2.gz DWHXNPZJRKBCRW-BQBZGAKWSA-N -1 0 315.305 -0.345 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H](C)C1CC1 ZINC001077578115 822159450 /nfs/dbraw/zinc/15/94/50/822159450.db2.gz MNPDEYWOGFKSOQ-YUMQZZPRSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077680188 822187883 /nfs/dbraw/zinc/18/78/83/822187883.db2.gz VSJOVVUXHJIHHH-BDAKNGLRSA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CCNC2=O)c1[O-] ZINC001077730496 822205072 /nfs/dbraw/zinc/20/50/72/822205072.db2.gz COAQDGWKXJNNCX-IONNQARKSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(CCNC(=O)C3CC3)CC2)c1[O-] ZINC001112767846 828405241 /nfs/dbraw/zinc/40/52/41/828405241.db2.gz HXTBMSIDNYRVGC-UHFFFAOYSA-N -1 0 321.381 -0.292 20 0 DBADRM CC[C@@H](F)C(=O)NCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077837615 822244212 /nfs/dbraw/zinc/24/42/12/822244212.db2.gz MHAGRPYDTLCVEQ-NKWVEPMBSA-N -1 0 315.305 -0.345 20 0 DBADRM CNC(=O)CCCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001112780418 828409079 /nfs/dbraw/zinc/40/90/79/828409079.db2.gz ADNBADNUPMTGRB-UHFFFAOYSA-N -1 0 310.358 -0.929 20 0 DBADRM COCC1(CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001112840742 828421225 /nfs/dbraw/zinc/42/12/25/828421225.db2.gz PQLLTCFXVYFLBU-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H](C)Nc1ncccn1 ZINC001113249644 828473832 /nfs/dbraw/zinc/47/38/32/828473832.db2.gz WLJAHXSCIJOGJT-BDAKNGLRSA-N -1 0 318.337 -0.105 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CCOC1(C)C ZINC001118662132 829117105 /nfs/dbraw/zinc/11/71/05/829117105.db2.gz GYUXISPGIIFKEG-SECBINFHSA-N -1 0 301.343 -0.898 20 0 DBADRM CC(=O)N[C@@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C(C)C ZINC001113564830 828518095 /nfs/dbraw/zinc/51/80/95/828518095.db2.gz DUIQSWVOWVJLBI-GFCCVEGCSA-N -1 0 324.385 -0.685 20 0 DBADRM CNC(=O)C1(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCC1 ZINC001113574108 828520111 /nfs/dbraw/zinc/52/01/11/828520111.db2.gz PGUHSAZVLHFRFV-UHFFFAOYSA-N -1 0 322.369 -0.929 20 0 DBADRM O=C(CNC(=O)C1CCC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113681198 828538571 /nfs/dbraw/zinc/53/85/71/828538571.db2.gz JMRJOERAKSESQC-UHFFFAOYSA-N -1 0 322.369 -0.929 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113626525 828529809 /nfs/dbraw/zinc/52/98/09/828529809.db2.gz UVHDHDARNPMWKY-UHFFFAOYSA-N -1 0 324.385 -0.683 20 0 DBADRM Cc1ccnc(N(C)[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001113681702 828538164 /nfs/dbraw/zinc/53/81/64/828538164.db2.gz GBAHSEWMWXKKLS-VIFPVBQESA-N -1 0 321.341 -0.571 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)n1cccn1 ZINC001079445305 823888745 /nfs/dbraw/zinc/88/87/45/823888745.db2.gz ABOBXKMPFZIFGB-GMTAPVOTSA-N -1 0 319.369 -0.096 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1CCCOC1 ZINC001079481684 823894857 /nfs/dbraw/zinc/89/48/57/823894857.db2.gz RJOAIERTIQFXDS-OUAUKWLOSA-N -1 0 309.370 -0.127 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@H]3CCN(C)C3=O)C[C@H]2C)c1[O-] ZINC001079573724 823917822 /nfs/dbraw/zinc/91/78/22/823917822.db2.gz LYTLCEFPLPHJER-IEBDPFPHSA-N -1 0 321.381 -0.295 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)n1cncn1 ZINC001079596232 823920496 /nfs/dbraw/zinc/92/04/96/823920496.db2.gz VQNNXTDGMFNCQF-KXUCPTDWSA-N -1 0 320.357 -0.701 20 0 DBADRM CCN(C(=O)CC(=O)NC)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001079659414 823939480 /nfs/dbraw/zinc/93/94/80/823939480.db2.gz UJQOEPJWFXNRIR-UHFFFAOYSA-N -1 0 323.353 -0.767 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1ccn(C)n1 ZINC001079682858 823946374 /nfs/dbraw/zinc/94/63/74/823946374.db2.gz YMKAIQQSISHXEW-MWLCHTKSSA-N -1 0 319.369 -0.577 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001079911128 823981690 /nfs/dbraw/zinc/98/16/90/823981690.db2.gz BNYSCWADSQSAMT-HTRCEHHLSA-N -1 0 321.341 -0.502 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)c1ncc(F)cn1 ZINC001113967572 828597724 /nfs/dbraw/zinc/59/77/24/828597724.db2.gz IGHAYMWFSDAQEZ-LURJTMIESA-N -1 0 323.288 -0.533 20 0 DBADRM CCCC(=O)N1CC(N(CC)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001080199915 824012449 /nfs/dbraw/zinc/01/24/49/824012449.db2.gz VASVCBXRQCPXQL-UHFFFAOYSA-N -1 0 311.342 -0.451 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1c[nH]c(=O)n1C ZINC001080264015 824021274 /nfs/dbraw/zinc/02/12/74/824021274.db2.gz VGGOGKOCMKGEMC-HTQZYQBOSA-N -1 0 321.341 -0.800 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1cnoc1 ZINC001080313209 824026781 /nfs/dbraw/zinc/02/67/81/824026781.db2.gz AMZKSCDOYVQEHM-PSASIEDQSA-N -1 0 306.326 -0.323 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@]1(F)CCOC1 ZINC001080326462 824029174 /nfs/dbraw/zinc/02/91/74/824029174.db2.gz FYXZWTRKSKDVEX-KKFJDGPESA-N -1 0 313.333 -0.425 20 0 DBADRM CCC(=O)NC1(CO)CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001080642172 824068339 /nfs/dbraw/zinc/06/83/39/824068339.db2.gz OSFZZXFPHZEPBP-UHFFFAOYSA-N -1 0 310.354 -0.083 20 0 DBADRM CCCC(=O)NC[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001081175665 824150035 /nfs/dbraw/zinc/15/00/35/824150035.db2.gz OBIGPVFZQUNMGX-VHSXEESVSA-N -1 0 310.354 -0.227 20 0 DBADRM CCC(=O)N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1OC ZINC001081241948 824176090 /nfs/dbraw/zinc/17/60/90/824176090.db2.gz RFIZTKZZBZVJQC-VXGBXAGGSA-N -1 0 319.365 -0.252 20 0 DBADRM C/C=C(\C)C(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC001081391299 824232851 /nfs/dbraw/zinc/23/28/51/824232851.db2.gz KWLKEYHWGLHTGI-KLIGILKNSA-N -1 0 322.365 -0.061 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](CNC(=O)C3(C)CC3)[C@H](O)C2)c1[O-] ZINC001081541868 824289395 /nfs/dbraw/zinc/28/93/95/824289395.db2.gz LXPWNQUFXQKPTR-NXEZZACHSA-N -1 0 322.365 -0.227 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1ccoc1 ZINC001081583572 824304110 /nfs/dbraw/zinc/30/41/10/824304110.db2.gz ATMQHGUMRDRFBA-GHMZBOCLSA-N -1 0 321.337 -0.339 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCCCN1C(=O)C1CC1 ZINC001081819202 824363191 /nfs/dbraw/zinc/36/31/91/824363191.db2.gz IRTXRVABFJZIQD-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(C(F)F)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001082971990 824473663 /nfs/dbraw/zinc/47/36/63/824473663.db2.gz FRMOFUPPKQKFHP-NKWVEPMBSA-N -1 0 303.269 -0.813 20 0 DBADRM O=C([C@H]1CCCO1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001082991212 824476495 /nfs/dbraw/zinc/47/64/95/824476495.db2.gz FTXKLWZRGFQZQU-HBNTYKKESA-N -1 0 323.353 -0.899 20 0 DBADRM O=C(c1cocn1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083024072 824482266 /nfs/dbraw/zinc/48/22/66/824482266.db2.gz ZOSDTYMRWABQAH-VHSXEESVSA-N -1 0 320.309 -0.776 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083199040 824515478 /nfs/dbraw/zinc/51/54/78/824515478.db2.gz DYHKAWYWRNUETQ-WISYIIOYSA-N -1 0 321.381 -0.032 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccccc1F ZINC001083314742 824539527 /nfs/dbraw/zinc/53/95/27/824539527.db2.gz YCBCXSOLVLCGPI-MNOVXSKESA-N -1 0 321.312 -0.376 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccccc1 ZINC001083314749 824539574 /nfs/dbraw/zinc/53/95/74/824539574.db2.gz YHXUBUFRALLZOG-MNOVXSKESA-N -1 0 303.322 -0.515 20 0 DBADRM Cc1occc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083328917 824546949 /nfs/dbraw/zinc/54/69/49/824546949.db2.gz LBWUSNBSLWDBBK-ZJUUUORDSA-N -1 0 307.310 -0.613 20 0 DBADRM CCc1ocnc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083376586 824586743 /nfs/dbraw/zinc/58/67/43/824586743.db2.gz BKLIREBLEHXVTC-SFYZADRCSA-N -1 0 322.325 -0.964 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001083387223 824594143 /nfs/dbraw/zinc/59/41/43/824594143.db2.gz IPRMYJHJOMTRRZ-OQEOFVATSA-N -1 0 321.381 -0.392 20 0 DBADRM Cc1nc(C)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)o1 ZINC001083386306 824594520 /nfs/dbraw/zinc/59/45/20/824594520.db2.gz YRSXFTOVYYOFKY-BDAKNGLRSA-N -1 0 322.325 -0.910 20 0 DBADRM Cc1cscc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083392900 824596635 /nfs/dbraw/zinc/59/66/35/824596635.db2.gz CPJKQWJGPKARMI-ZJUUUORDSA-N -1 0 323.378 -0.145 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nccs3)C[C@@H]2O)c1[O-] ZINC001083410710 824607067 /nfs/dbraw/zinc/60/70/67/824607067.db2.gz QWLJDJWPISFETJ-BDAKNGLRSA-N -1 0 323.378 -0.145 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cncn3C)C[C@@H]2O)c1[O-] ZINC001083410327 824607571 /nfs/dbraw/zinc/60/75/71/824607571.db2.gz AQSPMFGBBRBWSB-MNOVXSKESA-N -1 0 320.353 -0.868 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@H]1C[C@@H]1C(F)F ZINC001083435894 824621745 /nfs/dbraw/zinc/62/17/45/824621745.db2.gz QWSJATGOHBVHEL-HSNKUXOKSA-N -1 0 317.296 -0.927 20 0 DBADRM Cc1noc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1C ZINC001083554293 824672551 /nfs/dbraw/zinc/67/25/51/824672551.db2.gz XOLDVRIAJRQAPN-BDAKNGLRSA-N -1 0 322.325 -0.910 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@@H]1CCCC12CC2 ZINC001083567380 824677321 /nfs/dbraw/zinc/67/73/21/824677321.db2.gz WPSFCYJOYVUNRD-AXFHLTTASA-N -1 0 321.381 -0.248 20 0 DBADRM O=C(Cc1ccccc1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083576072 824681133 /nfs/dbraw/zinc/68/11/33/824681133.db2.gz HFORIEILRCSYGI-NEPJUHHUSA-N -1 0 317.349 -0.586 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC2(CCC2)C1 ZINC001083709608 824741607 /nfs/dbraw/zinc/74/16/07/824741607.db2.gz YYMYZNYGVVEFJG-MNOVXSKESA-N -1 0 321.381 -0.248 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@@]12C[C@@H]1CCCC2 ZINC001083762922 824764514 /nfs/dbraw/zinc/76/45/14/824764514.db2.gz SZTURVCYPUFMMH-DDIVZENXSA-N -1 0 321.381 -0.248 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@H]1CC12CCC2 ZINC001083820183 824782873 /nfs/dbraw/zinc/78/28/73/824782873.db2.gz ZPBZTQIZGHREMD-BBBLOLIVSA-N -1 0 307.354 -0.638 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@@H]1CC12CCC2 ZINC001083820182 824783294 /nfs/dbraw/zinc/78/32/94/824783294.db2.gz ZPBZTQIZGHREMD-AEJSXWLSSA-N -1 0 307.354 -0.638 20 0 DBADRM CCn1cccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001084060968 824877780 /nfs/dbraw/zinc/87/77/80/824877780.db2.gz OOBJOONBHCEYCK-KOLCDFICSA-N -1 0 320.353 -0.693 20 0 DBADRM O=C(c1cc[nH]n1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084203380 824907059 /nfs/dbraw/zinc/90/70/59/824907059.db2.gz MFROJYBOXUVOIE-PSASIEDQSA-N -1 0 303.326 -0.420 20 0 DBADRM O=C(Cc1ccon1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084244343 824915684 /nfs/dbraw/zinc/91/56/84/824915684.db2.gz LIZPKGJUUPJXRM-MWLCHTKSSA-N -1 0 318.337 -0.226 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCN([C@@H](C)C(N)=O)C[C@H]32)c1[O-] ZINC001084282795 824917684 /nfs/dbraw/zinc/91/76/84/824917684.db2.gz GHQZZAYFLDLNRE-IVZWLZJFSA-N -1 0 307.354 -0.556 20 0 DBADRM CO[C@H](C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1CC1 ZINC001084316148 824922152 /nfs/dbraw/zinc/92/21/52/824922152.db2.gz UOMGFCAPAKCOAZ-WZRBSPASSA-N -1 0 321.381 -0.032 20 0 DBADRM CO[C@H](C)C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001084898901 824991151 /nfs/dbraw/zinc/99/11/51/824991151.db2.gz JPIVASCTUWRWEU-MXWKQRLJSA-N -1 0 309.370 -0.032 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cnsn1 ZINC001085496884 825026199 /nfs/dbraw/zinc/02/61/99/825026199.db2.gz QRQGXWOJOLWDRH-SSDOTTSWSA-N -1 0 309.355 -0.292 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCCOC1 ZINC001085514554 825030092 /nfs/dbraw/zinc/03/00/92/825030092.db2.gz LNLVUXUNXRLLJE-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1nccnc1N ZINC001085523951 825034279 /nfs/dbraw/zinc/03/42/79/825034279.db2.gz YXYWKYOPHBVURX-QMMMGPOBSA-N -1 0 318.341 -0.771 20 0 DBADRM Cc1c(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)nnn1C ZINC001085531213 825036053 /nfs/dbraw/zinc/03/60/53/825036053.db2.gz ODPKFATVQOOWDM-VIFPVBQESA-N -1 0 320.357 -0.706 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cc[nH]c(=O)c1 ZINC001085543491 825038564 /nfs/dbraw/zinc/03/85/64/825038564.db2.gz YMNVZCXVHUQNCE-SNVBAGLBSA-N -1 0 318.337 -0.043 20 0 DBADRM CC[C@H](C(N)=O)N1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001085544662 825039285 /nfs/dbraw/zinc/03/92/85/825039285.db2.gz VBOISUYKQHOQLU-NXEZZACHSA-N -1 0 309.370 -0.166 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2CCn2cncn2)c1[O-] ZINC001085543650 825039462 /nfs/dbraw/zinc/03/94/62/825039462.db2.gz BUVPXNVOLJOTNM-LLVKDONJSA-N -1 0 319.369 -0.138 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2Cc2cnn(C)n2)c1[O-] ZINC001085550581 825042665 /nfs/dbraw/zinc/04/26/65/825042665.db2.gz YXYYRIJWWUENHS-NSHDSACASA-N -1 0 319.369 -0.101 20 0 DBADRM COc1cc(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)on1 ZINC001085557252 825043180 /nfs/dbraw/zinc/04/31/80/825043180.db2.gz NLEVPFIIJNFNSV-MRVPVSSYSA-N -1 0 322.325 -0.147 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)C1=CCOCC1 ZINC001085559857 825044316 /nfs/dbraw/zinc/04/43/16/825044316.db2.gz ZAYJNZAPPPJRRG-NSHDSACASA-N -1 0 307.354 -0.110 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001085626656 825065569 /nfs/dbraw/zinc/06/55/69/825065569.db2.gz QQYAJZURBRHYKW-UWVGGRQHSA-N -1 0 322.369 -0.979 20 0 DBADRM CN(C[C@@H]1CCN1Cc1ccon1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001085699494 825088996 /nfs/dbraw/zinc/08/89/96/825088996.db2.gz OYLOLSBXNJAYKW-VIFPVBQESA-N -1 0 320.309 -0.383 20 0 DBADRM CN(C[C@@H]1CCN1Cc1cnon1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001085700810 825089262 /nfs/dbraw/zinc/08/92/62/825089262.db2.gz YMVKWHWHDHYEEL-QMMMGPOBSA-N -1 0 321.297 -0.988 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1c[nH]c(=O)n1C ZINC001085765310 825104888 /nfs/dbraw/zinc/10/48/88/825104888.db2.gz VUJCQPKBIBFYTG-MRVPVSSYSA-N -1 0 321.341 -0.704 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCC(=O)N1C ZINC001085767475 825104909 /nfs/dbraw/zinc/10/49/09/825104909.db2.gz JSODTEJGVOOWJF-ZJUUUORDSA-N -1 0 322.369 -0.836 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087559577 825340735 /nfs/dbraw/zinc/34/07/35/825340735.db2.gz RWXTUYMZVNITSV-DTWKUNHWSA-N -1 0 320.357 -0.578 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087561296 825342468 /nfs/dbraw/zinc/34/24/68/825342468.db2.gz OCFNBWPIJGNVDI-WCBMZHEXSA-N -1 0 320.357 -0.578 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)c2nnc[nH]2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087767734 825358395 /nfs/dbraw/zinc/35/83/95/825358395.db2.gz QIRCBQJWSQVTFX-JGVFFNPUSA-N -1 0 306.330 -0.589 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087789435 825360820 /nfs/dbraw/zinc/36/08/20/825360820.db2.gz QPIFRLHNKLHUSR-DTWKUNHWSA-N -1 0 320.357 -0.660 20 0 DBADRM Cc1c(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)cnn1C ZINC001088471173 825425605 /nfs/dbraw/zinc/42/56/05/825425605.db2.gz XKNSJMLTNRTHJF-KOLCDFICSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cn2cccn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088470087 825425635 /nfs/dbraw/zinc/42/56/35/825425635.db2.gz SKZQSJZCPRXWIM-ZJUUUORDSA-N -1 0 305.342 -0.514 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cn(C)cn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088522576 825432145 /nfs/dbraw/zinc/43/21/45/825432145.db2.gz VWZANIGMEMYHFP-BDAKNGLRSA-N -1 0 305.342 -0.363 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C[C@H]2COC(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088523862 825433552 /nfs/dbraw/zinc/43/35/52/825433552.db2.gz VDZHUIOTCVIQCZ-BBBLOLIVSA-N -1 0 323.353 -0.458 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088561556 825440192 /nfs/dbraw/zinc/44/01/92/825440192.db2.gz YAQNUGBZFQFYPE-KOLCDFICSA-N -1 0 319.369 -0.435 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001088788582 825459022 /nfs/dbraw/zinc/45/90/22/825459022.db2.gz RZLUDBHUZUURCC-SFYZADRCSA-N -1 0 306.330 -0.670 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088795314 825460268 /nfs/dbraw/zinc/46/02/68/825460268.db2.gz XUVLHIMOSXBSAK-SFYZADRCSA-N -1 0 321.341 -0.658 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2ccnnc2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088878704 825471414 /nfs/dbraw/zinc/47/14/14/825471414.db2.gz KNWWFRHVQGLZGC-SCZZXKLOSA-N -1 0 303.326 -0.307 20 0 DBADRM CCC(=O)N1CC[C@H](n2cc(CNCc3n[nH]c(=O)[n-]3)nn2)C1 ZINC001089574272 825512881 /nfs/dbraw/zinc/51/28/81/825512881.db2.gz MQHNIAAVASTWHE-JTQLQIEISA-N -1 0 320.357 -0.425 20 0 DBADRM CC(C)(F)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090004074 825544081 /nfs/dbraw/zinc/54/40/81/825544081.db2.gz YXJFXPIVHNYSCD-SFYZADRCSA-N -1 0 301.322 -0.690 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cccs1 ZINC001090039790 825551849 /nfs/dbraw/zinc/55/18/49/825551849.db2.gz YQJLQMTWRIAPKK-RKDXNWHRSA-N -1 0 323.378 -0.063 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccsc1 ZINC001090048509 825552640 /nfs/dbraw/zinc/55/26/40/825552640.db2.gz ZMFJWIANDYUALF-UWVGGRQHSA-N -1 0 323.378 -0.063 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1=COCCC1 ZINC001090126607 825576068 /nfs/dbraw/zinc/57/60/68/825576068.db2.gz ZDCMWOBDUWCEST-GHMZBOCLSA-N -1 0 323.353 -0.744 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC=CC1 ZINC001090153878 825585028 /nfs/dbraw/zinc/58/50/28/825585028.db2.gz BJCJZTKKIQFYBH-QWRGUYRKSA-N -1 0 307.354 -0.472 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC=CC1 ZINC001090153872 825585888 /nfs/dbraw/zinc/58/58/88/825585888.db2.gz BJCJZTKKIQFYBH-GHMZBOCLSA-N -1 0 307.354 -0.472 20 0 DBADRM O=C(CC1CCC1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090167674 825587879 /nfs/dbraw/zinc/58/78/79/825587879.db2.gz WXUATJFUJNEHOW-WDEREUQCSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccsn1 ZINC001090353096 825646868 /nfs/dbraw/zinc/64/68/68/825646868.db2.gz WTJVKVFHYNCSKI-CBAPKCEASA-N -1 0 324.366 -0.668 20 0 DBADRM Cc1cocc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090498349 825720974 /nfs/dbraw/zinc/72/09/74/825720974.db2.gz ZYINHUJUQHFIIO-QWRGUYRKSA-N -1 0 321.337 -0.223 20 0 DBADRM CC1(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CC=CC1 ZINC001090550175 825745540 /nfs/dbraw/zinc/74/55/40/825745540.db2.gz OGMXAWBYRJAIAQ-GHMZBOCLSA-N -1 0 321.381 -0.082 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC2(CC2)C1 ZINC001090559759 825749237 /nfs/dbraw/zinc/74/92/37/825749237.db2.gz NIQIWVYVQBZBKP-WDEREUQCSA-N -1 0 321.381 -0.248 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC2(CC2)C1 ZINC001090559756 825749456 /nfs/dbraw/zinc/74/94/56/825749456.db2.gz NIQIWVYVQBZBKP-GHMZBOCLSA-N -1 0 321.381 -0.248 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1nccs1 ZINC001090670543 825793496 /nfs/dbraw/zinc/79/34/96/825793496.db2.gz FFTSTTONYPYMNR-YUMQZZPRSA-N -1 0 324.366 -0.668 20 0 DBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)[C@@H]1CCCO1)C2 ZINC001091461753 825963025 /nfs/dbraw/zinc/96/30/25/825963025.db2.gz ADOBLEYINGZXJX-ZETOZRRWSA-N -1 0 321.381 -0.030 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNc2nccn3nnnc23)c1[O-] ZINC001093585846 826147138 /nfs/dbraw/zinc/14/71/38/826147138.db2.gz ZMPSEEANNHPHTJ-UHFFFAOYSA-N -1 0 303.286 -0.902 20 0 DBADRM COc1nc(C)cc(NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001093779436 826167680 /nfs/dbraw/zinc/16/76/80/826167680.db2.gz KANAXLDFVSKVBD-UHFFFAOYSA-N -1 0 323.313 -0.975 20 0 DBADRM CCc1nsc(NCCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001094032742 826189752 /nfs/dbraw/zinc/18/97/52/826189752.db2.gz SOMSWMNNPXHLMB-UHFFFAOYSA-N -1 0 324.366 -0.258 20 0 DBADRM O=C(NCCNc1ccnc(C2CC2)n1)c1n[nH]c(=O)[n-]c1=O ZINC001094253548 826211030 /nfs/dbraw/zinc/21/10/30/826211030.db2.gz SNDYNMAJVLJFNQ-UHFFFAOYSA-N -1 0 317.309 -0.208 20 0 DBADRM COCc1cc(NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001094253778 826211203 /nfs/dbraw/zinc/21/12/03/826211203.db2.gz YSWAJJWEKGDTNK-UHFFFAOYSA-N -1 0 321.297 -0.939 20 0 DBADRM Cc1ccnc(NCCNC(=O)CCc2n[nH]c(=O)[n-]c2=O)n1 ZINC001094256915 826211950 /nfs/dbraw/zinc/21/19/50/826211950.db2.gz SQGJFDLNVGVWOG-UHFFFAOYSA-N -1 0 319.325 -0.458 20 0 DBADRM Cc1nccc(NCCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001094527952 826246506 /nfs/dbraw/zinc/24/65/06/826246506.db2.gz YCZLMGAAQATDLG-UHFFFAOYSA-N -1 0 307.314 -0.594 20 0 DBADRM Cc1cc(NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001094888785 826298234 /nfs/dbraw/zinc/29/82/34/826298234.db2.gz XZRMRLROCRNUHF-UHFFFAOYSA-N -1 0 305.298 -0.387 20 0 DBADRM Cn1cncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001095701069 826340593 /nfs/dbraw/zinc/34/05/93/826340593.db2.gz SHWWVCQAYFGFDD-UTLUCORTSA-N -1 0 317.353 -0.221 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1cnc(F)cn1 ZINC001095781624 826344868 /nfs/dbraw/zinc/34/48/68/826344868.db2.gz HEFNBPLJULZHQM-UHFFFAOYSA-N -1 0 323.288 -0.532 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@H]1COCCO1 ZINC001096826190 826398392 /nfs/dbraw/zinc/39/83/92/826398392.db2.gz MHUAFGIWQGLDDT-CHWFTXMASA-N -1 0 323.353 -0.853 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H]2CCNC2=O)c1[O-] ZINC001096964092 826403774 /nfs/dbraw/zinc/40/37/74/826403774.db2.gz HGMTVQRAYFGHIR-ZNSHCXBVSA-N -1 0 319.365 -0.353 20 0 DBADRM CNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1[O-])C2 ZINC001096960312 826403925 /nfs/dbraw/zinc/40/39/25/826403925.db2.gz JPFYSSWNAKFUJP-ZDCRXTMVSA-N -1 0 321.381 -0.107 20 0 DBADRM Cn1nncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001097027901 826407742 /nfs/dbraw/zinc/40/77/42/826407742.db2.gz YSLDRQBZLWVDTA-HLTSFMKQSA-N -1 0 318.341 -0.826 20 0 DBADRM Cc1cc(N[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001097976642 826443600 /nfs/dbraw/zinc/44/36/00/826443600.db2.gz NHCZCPLZGTULTI-MRVPVSSYSA-N -1 0 307.314 -0.595 20 0 DBADRM Cc1nsc(N[C@@H](C)CNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001098178414 826452818 /nfs/dbraw/zinc/45/28/18/826452818.db2.gz LDGCTZVAPDBHDI-LURJTMIESA-N -1 0 324.366 -0.124 20 0 DBADRM Cc1nc([C@H](C)NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001161864050 833061443 /nfs/dbraw/zinc/06/14/43/833061443.db2.gz VWTYGISCAJIBIE-LURJTMIESA-N -1 0 323.313 -0.555 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1ncccn1 ZINC001099361727 826565467 /nfs/dbraw/zinc/56/54/67/826565467.db2.gz KIEPLNBWVQCJMK-QMMMGPOBSA-N -1 0 307.314 -0.514 20 0 DBADRM CN(C)C(=O)CN1CC2(C1)CCCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001274428205 833075169 /nfs/dbraw/zinc/07/51/69/833075169.db2.gz AGXBNEWROCBGBQ-UHFFFAOYSA-N -1 0 321.381 -0.259 20 0 DBADRM CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001274428827 833075362 /nfs/dbraw/zinc/07/53/62/833075362.db2.gz QBXMJUJVUPPFJT-ZJUUUORDSA-N -1 0 307.354 -0.650 20 0 DBADRM CC/C=C(/C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099720482 826633695 /nfs/dbraw/zinc/63/36/95/826633695.db2.gz FHSNPZKSPWSNMA-MTUFZTHRSA-N -1 0 309.370 -0.082 20 0 DBADRM Cn1[nH]c(CNC/C=C/CNC(=O)c2nccs2)nc1=O ZINC001274465313 833081510 /nfs/dbraw/zinc/08/15/10/833081510.db2.gz VDSPDJKORCPETJ-NSCUHMNNSA-N -1 0 308.367 -0.359 20 0 DBADRM O=C(CCC1CC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099753509 826651645 /nfs/dbraw/zinc/65/16/45/826651645.db2.gz VTFVMVGERRBPNB-MNOVXSKESA-N -1 0 309.370 -0.248 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ncccn1 ZINC001099787776 826666449 /nfs/dbraw/zinc/66/64/49/826666449.db2.gz ACUVAMPYZYNBLC-SSDOTTSWSA-N -1 0 305.298 -0.307 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ncc(F)cn1 ZINC001099788308 826667319 /nfs/dbraw/zinc/66/73/19/826667319.db2.gz KKJWHPYJQRIFAB-LURJTMIESA-N -1 0 323.288 -0.168 20 0 DBADRM CC/C(C)=C\C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099818982 826686159 /nfs/dbraw/zinc/68/61/59/826686159.db2.gz QMSZIKDZAUMFCP-KJNJGPFHSA-N -1 0 309.370 -0.082 20 0 DBADRM CC(C)NC(=O)N1CCC12CN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001274501227 833087650 /nfs/dbraw/zinc/08/76/50/833087650.db2.gz BLOOAKDYNQNKEH-UHFFFAOYSA-N -1 0 321.337 -0.919 20 0 DBADRM O=C(c1c[nH]c(=O)c(=O)[n-]1)N1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001274502445 833087891 /nfs/dbraw/zinc/08/78/91/833087891.db2.gz TWBVGHUGNNUHFJ-UHFFFAOYSA-N -1 0 315.333 -0.651 20 0 DBADRM COc1c(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cnn1C ZINC001274533414 833092281 /nfs/dbraw/zinc/09/22/81/833092281.db2.gz ATUCCSUSSBEBOQ-ARJAWSKDSA-N -1 0 321.341 -0.672 20 0 DBADRM CCC(C)(C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099983566 826758211 /nfs/dbraw/zinc/75/82/11/826758211.db2.gz MWJWXVURMAKWMC-VHSXEESVSA-N -1 0 311.386 -0.002 20 0 DBADRM CCC(C)(C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099983565 826758269 /nfs/dbraw/zinc/75/82/69/826758269.db2.gz MWJWXVURMAKWMC-UWVGGRQHSA-N -1 0 311.386 -0.002 20 0 DBADRM CC(F)(F)CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099994325 826764550 /nfs/dbraw/zinc/76/45/50/826764550.db2.gz PFQLNEMFCXKOJW-SFYZADRCSA-N -1 0 319.312 -0.393 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189327812 834065127 /nfs/dbraw/zinc/06/51/27/834065127.db2.gz NNFZLAFFRWEWJA-SNVBAGLBSA-N -1 0 309.290 -0.082 20 0 DBADRM CN1CCO[C@@H](CNc2ccc3c(c2)S(=O)(=O)[N-]C3=O)C1 ZINC001162689400 833116634 /nfs/dbraw/zinc/11/66/34/833116634.db2.gz FOAMSAYEQUVXNF-JTQLQIEISA-N -1 0 311.363 -0.139 20 0 DBADRM COc1cc(C(=O)Nc2nc3nc(C)cc(=O)n3[nH]2)ncn1 ZINC001274693843 833119792 /nfs/dbraw/zinc/11/97/92/833119792.db2.gz UGMCYIDEKCCSFQ-UHFFFAOYSA-N -1 0 301.266 -0.223 20 0 DBADRM CN(CCNC(=O)c1cnc([O-])n(C)c1=O)c1cnc(F)cn1 ZINC001100263216 826921417 /nfs/dbraw/zinc/92/14/17/826921417.db2.gz BAODPNFZRUCSGV-UHFFFAOYSA-N -1 0 322.300 -0.719 20 0 DBADRM Cc1ccnc(N(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001100416097 826960844 /nfs/dbraw/zinc/96/08/44/826960844.db2.gz RFGARDFOGKWICG-UHFFFAOYSA-N -1 0 305.298 -0.753 20 0 DBADRM Cc1ncc(C)c(N(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001100415728 826960887 /nfs/dbraw/zinc/96/08/87/826960887.db2.gz DJSGMCLNBSIKLW-UHFFFAOYSA-N -1 0 319.325 -0.444 20 0 DBADRM COCCOCN1CCC12CN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001274804522 833128358 /nfs/dbraw/zinc/12/83/58/833128358.db2.gz DZJGJOAEQQUPSQ-UHFFFAOYSA-N -1 0 310.354 -0.354 20 0 DBADRM CN(C)C(=O)CN1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)[n-]3)[C@@H]2C1 ZINC001274805198 833128362 /nfs/dbraw/zinc/12/83/62/833128362.db2.gz NNZCPCGRBHUROS-CMPLNLGQSA-N -1 0 321.381 -0.640 20 0 DBADRM CN(C)C(=O)CN1CCC12CN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001274805583 833128735 /nfs/dbraw/zinc/12/87/35/833128735.db2.gz VBUFHDFVLKIRJN-UHFFFAOYSA-N -1 0 307.354 -0.886 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN(c2ncccn2)C1 ZINC001100997976 827061092 /nfs/dbraw/zinc/06/10/92/827061092.db2.gz XHAMLQPMGRUMOW-SECBINFHSA-N -1 0 319.325 -0.878 20 0 DBADRM Cc1ccc(NCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001101719157 827140249 /nfs/dbraw/zinc/14/02/49/827140249.db2.gz GJLQXKUCKUQLCR-UHFFFAOYSA-N -1 0 307.314 -0.642 20 0 DBADRM Cc1cc(C)nc(NCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001101719436 827140612 /nfs/dbraw/zinc/14/06/12/827140612.db2.gz XVVSMQJJXTZQEQ-UHFFFAOYSA-N -1 0 321.341 -0.333 20 0 DBADRM COC(=O)c1nc(=NCCN(C)C(=O)c2nc(C)c[nH]2)cc[n-]1 ZINC001101990548 827174611 /nfs/dbraw/zinc/17/46/11/827174611.db2.gz BMFBHQQQEFHYAP-UHFFFAOYSA-N -1 0 318.337 -0.099 20 0 DBADRM Cc1cc(NCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001102050343 827181841 /nfs/dbraw/zinc/18/18/41/827181841.db2.gz JNANUYPJBZNVBW-UHFFFAOYSA-N -1 0 305.298 -0.435 20 0 DBADRM NC(=O)[C@@H]1CCn2nccc2CN1C(=O)c1ccncc1[O-] ZINC001275217815 833160509 /nfs/dbraw/zinc/16/05/09/833160509.db2.gz FKQKWCHSGBMUMD-NSHDSACASA-N -1 0 301.306 -0.116 20 0 DBADRM CN1CCN(c2nccnc2N[C@@H]2SC(=O)[N-]C2=O)CC1 ZINC001163665896 833162405 /nfs/dbraw/zinc/16/24/05/833162405.db2.gz PJIQGLPRKUFOJG-LLVKDONJSA-N -1 0 308.367 -0.051 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1cc(C)ncn1 ZINC001103158223 827269350 /nfs/dbraw/zinc/26/93/50/827269350.db2.gz AEHPTHBUDOJHTN-SECBINFHSA-N -1 0 321.341 -0.205 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1nccnc1F ZINC001103373756 827281583 /nfs/dbraw/zinc/28/15/83/827281583.db2.gz FCLNLAGFTNCJAA-LURJTMIESA-N -1 0 323.288 -0.168 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1cc(F)ncn1 ZINC001103374422 827281833 /nfs/dbraw/zinc/28/18/33/827281833.db2.gz UAKNVBWGRSSEPX-LURJTMIESA-N -1 0 323.288 -0.168 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ncc(F)cn1 ZINC001103374151 827281964 /nfs/dbraw/zinc/28/19/64/827281964.db2.gz PPHMPXGYPXGFDF-ZETCQYMHSA-N -1 0 323.288 -0.168 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNc1ncccn1 ZINC001104038774 827318844 /nfs/dbraw/zinc/31/88/44/827318844.db2.gz AROQFOLOUAYSNH-MRVPVSSYSA-N -1 0 307.314 -0.656 20 0 DBADRM Cc1cc(NC[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001104039220 827319311 /nfs/dbraw/zinc/31/93/11/827319311.db2.gz LWMQPXMZMRLCMQ-MRVPVSSYSA-N -1 0 321.341 -0.348 20 0 DBADRM Cc1cc(NC[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001104272400 827335276 /nfs/dbraw/zinc/33/52/76/827335276.db2.gz AVJWFUFUOSKZHK-ZETCQYMHSA-N -1 0 319.325 -0.141 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNc1cc(F)ncn1 ZINC001104272820 827335387 /nfs/dbraw/zinc/33/53/87/827335387.db2.gz JUEZMNSGRCGTGD-ZCFIWIBFSA-N -1 0 323.288 -0.310 20 0 DBADRM Cc1ccc(NC[C@H](C)N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001104643641 827364081 /nfs/dbraw/zinc/36/40/81/827364081.db2.gz AEVKPWFKQSJLSO-VIFPVBQESA-N -1 0 321.341 -0.253 20 0 DBADRM C[C@@H](CNc1ncccn1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001104747128 827368345 /nfs/dbraw/zinc/36/83/45/827368345.db2.gz HGKURCBKMCJUKK-VIFPVBQESA-N -1 0 318.337 -0.152 20 0 DBADRM C[C@H]1c2nc(C(N)=O)cn2CCN1C(=O)c1cc(=O)n(C)[n-]1 ZINC001275610088 833193829 /nfs/dbraw/zinc/19/38/29/833193829.db2.gz MZVOINVHRZYZQO-ZETCQYMHSA-N -1 0 304.310 -0.362 20 0 DBADRM C[C@@H](CNc1ncccn1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001104881130 827376902 /nfs/dbraw/zinc/37/69/02/827376902.db2.gz HPQBHMWMDOSBEX-ZETCQYMHSA-N -1 0 305.298 -0.355 20 0 DBADRM COCCN(C)C(=O)C12CC(NC(=O)c3cc(=O)n(C)[n-]3)(C1)C2 ZINC001275610383 833193900 /nfs/dbraw/zinc/19/39/00/833193900.db2.gz RGQDIYNUSHCJGO-UHFFFAOYSA-N -1 0 322.365 -0.117 20 0 DBADRM C[C@H](CNc1ncc(F)cn1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001104882058 827377160 /nfs/dbraw/zinc/37/71/60/827377160.db2.gz ZRRCUFZVWONJGS-ZCFIWIBFSA-N -1 0 323.288 -0.216 20 0 DBADRM Cc1ccc(NC[C@H](C)N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001104881460 827377581 /nfs/dbraw/zinc/37/75/81/827377581.db2.gz OMSZOQWAPKFKAW-QMMMGPOBSA-N -1 0 319.325 -0.046 20 0 DBADRM Cc1cc(NC[C@@H](C)N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001104881941 827377634 /nfs/dbraw/zinc/37/76/34/827377634.db2.gz WUUSCPJLKINQOB-MRVPVSSYSA-N -1 0 319.325 -0.046 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(n3cc(CNCCF)nn3)C2)c1[O-] ZINC001105213890 827406819 /nfs/dbraw/zinc/40/68/19/827406819.db2.gz SKYOHQZTGNGDBW-UHFFFAOYSA-N -1 0 323.332 -0.229 20 0 DBADRM Cn1[n-]c(C(=O)N2CC[C@H]3C[C@]32C(=O)NCC2COC2)cc1=O ZINC001275610649 833194516 /nfs/dbraw/zinc/19/45/16/833194516.db2.gz XKFZTJURVAPHCA-ZUZCIYMTSA-N -1 0 320.349 -0.507 20 0 DBADRM CS(=O)(=O)c1nccc(NCC[N-]C(=O)C(F)(F)F)n1 ZINC001164237680 833197855 /nfs/dbraw/zinc/19/78/55/833197855.db2.gz GEVYFNQUEARYGE-UHFFFAOYSA-N -1 0 312.273 -0.030 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCCNC(=O)C2)nc1 ZINC001164284140 833199581 /nfs/dbraw/zinc/19/95/81/833199581.db2.gz PTVAGKRSDXDZIL-UHFFFAOYSA-N -1 0 312.351 -0.767 20 0 DBADRM O=C(NC[C@@H](O)CNc1cccc(F)n1)c1n[nH]c(=O)[n-]c1=O ZINC001106168610 827637627 /nfs/dbraw/zinc/63/76/27/827637627.db2.gz MVKOMRKJPQGKKP-LURJTMIESA-N -1 0 324.272 -0.980 20 0 DBADRM Cc1cc(NCC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001106395670 827654526 /nfs/dbraw/zinc/65/45/26/827654526.db2.gz PJDFIKVHCHBPPN-MRVPVSSYSA-N -1 0 321.341 -0.205 20 0 DBADRM Cc1nccc(NCC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001106395601 827654911 /nfs/dbraw/zinc/65/49/11/827654911.db2.gz OEFISQUHXDENBG-QMMMGPOBSA-N -1 0 321.341 -0.205 20 0 DBADRM Cc1nccc(NCC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001106395600 827654982 /nfs/dbraw/zinc/65/49/82/827654982.db2.gz OEFISQUHXDENBG-MRVPVSSYSA-N -1 0 321.341 -0.205 20 0 DBADRM C[C@H](CCNc1nccnc1F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001106644592 827667751 /nfs/dbraw/zinc/66/77/51/827667751.db2.gz UZYNWYAZZXDOSQ-ZCFIWIBFSA-N -1 0 323.288 -0.168 20 0 DBADRM CCN(CCNc1cnc(F)cn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001107000807 827691455 /nfs/dbraw/zinc/69/14/55/827691455.db2.gz RCHLBPZWNYTDAH-UHFFFAOYSA-N -1 0 323.288 -0.214 20 0 DBADRM O=C(NC12CC(C(=O)Nc3nnco3)(C1)C2)c1cc(=O)[nH][n-]1 ZINC001276020011 833235710 /nfs/dbraw/zinc/23/57/10/833235710.db2.gz YALQITAOTKUXOW-UHFFFAOYSA-N -1 0 304.266 -0.211 20 0 DBADRM CN(C)C(=O)[C@H]1COCCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276022870 833236237 /nfs/dbraw/zinc/23/62/37/833236237.db2.gz MFZVGKOPPXNELE-SECBINFHSA-N -1 0 308.338 -0.318 20 0 DBADRM CC(C)C(=O)NCc1cn(C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001107132665 827708843 /nfs/dbraw/zinc/70/88/43/827708843.db2.gz COBONPLYASXISK-UHFFFAOYSA-N -1 0 320.357 -0.569 20 0 DBADRM COCCC(=O)NC[C@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107666059 827765030 /nfs/dbraw/zinc/76/50/30/827765030.db2.gz PNKNFWCLHDYAQC-CYBMUJFWSA-N -1 0 313.358 -0.746 20 0 DBADRM C[C@]1(CNC(=O)c2cn[nH]c2)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107768596 827789854 /nfs/dbraw/zinc/78/98/54/827789854.db2.gz XVEVQFWCSKPNRJ-ZDUSSCGKSA-N -1 0 321.341 -0.746 20 0 DBADRM COCCN1CCO[C@](C)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001107871570 827819246 /nfs/dbraw/zinc/81/92/46/827819246.db2.gz ICWJIEWMAYYWBU-CQSZACIVSA-N -1 0 312.370 -0.109 20 0 DBADRM C[C@H](CNc1cc(F)ncn1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001108052763 827882161 /nfs/dbraw/zinc/88/21/61/827882161.db2.gz MLMPTAMRDNXVTE-SSDOTTSWSA-N -1 0 322.300 -0.355 20 0 DBADRM C[C@]1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CN(CCF)CCO1 ZINC001108052034 827883226 /nfs/dbraw/zinc/88/32/26/827883226.db2.gz VKBJGHXPCRKYEQ-LBPRGKRZSA-N -1 0 315.305 -0.927 20 0 DBADRM C[C@@]1(CNC(=O)CCCF)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001108124521 827901048 /nfs/dbraw/zinc/90/10/48/827901048.db2.gz MXHQGTFFCHFBOU-CYBMUJFWSA-N -1 0 315.349 -0.033 20 0 DBADRM C[C@@H](CNc1ncc(F)cn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001108466373 827979810 /nfs/dbraw/zinc/97/98/10/827979810.db2.gz WFCLGTBMGSXAKW-LURJTMIESA-N -1 0 311.277 -0.765 20 0 DBADRM O=C([O-])Cc1nccnc1N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001166925969 833285605 /nfs/dbraw/zinc/28/56/05/833285605.db2.gz KXHCZRFKIJQFRA-UHFFFAOYSA-N -1 0 303.278 -0.132 20 0 DBADRM C[C@H](CN(C)c1ncccn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001109043771 828080570 /nfs/dbraw/zinc/08/05/70/828080570.db2.gz GJWUUXAKEDJMIW-MRVPVSSYSA-N -1 0 307.314 -0.880 20 0 DBADRM C[C@H](CN(C)c1cccc(F)n1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001109044019 828081238 /nfs/dbraw/zinc/08/12/38/828081238.db2.gz KILCWGQGKPWGMY-MRVPVSSYSA-N -1 0 324.316 -0.136 20 0 DBADRM C[C@H](CN(C)c1ncccn1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001109176441 828095148 /nfs/dbraw/zinc/09/51/48/828095148.db2.gz VTZPGTGFOYNOPA-SECBINFHSA-N -1 0 318.337 -0.469 20 0 DBADRM C[C@@H](CN(C)c1ncccn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001109309472 828109151 /nfs/dbraw/zinc/10/91/51/828109151.db2.gz HDAQSXXHJUIEQB-ZETCQYMHSA-N -1 0 305.298 -0.673 20 0 DBADRM Cc1ccnc(N(C)C[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001109309553 828109257 /nfs/dbraw/zinc/10/92/57/828109257.db2.gz JKDZJRCVRKPRRQ-MRVPVSSYSA-N -1 0 319.325 -0.364 20 0 DBADRM C[C@H](CN(C)c1cnc(F)cn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001109309468 828109350 /nfs/dbraw/zinc/10/93/50/828109350.db2.gz GYJJTVGMPLFQFR-ZCFIWIBFSA-N -1 0 323.288 -0.533 20 0 DBADRM Cc1ccc(N(C)C[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001109309209 828109621 /nfs/dbraw/zinc/10/96/21/828109621.db2.gz AGLBUNGLXGBCBU-QMMMGPOBSA-N -1 0 319.325 -0.364 20 0 DBADRM C[C@H]1C(=O)NN=C2COc3ccc(N[C@@H]4CO[N-]C4=O)cc3N21 ZINC001167519196 833302458 /nfs/dbraw/zinc/30/24/58/833302458.db2.gz JJTGRTMSKMQYCC-IONNQARKSA-N -1 0 317.305 -0.441 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110524155 828185788 /nfs/dbraw/zinc/18/57/88/828185788.db2.gz HVIVGXFSKNOYFP-MWGHHZFTSA-N -1 0 309.370 -0.251 20 0 DBADRM CC(C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110513811 828185929 /nfs/dbraw/zinc/18/59/29/828185929.db2.gz ISQKLSNFCDZNOS-BBBLOLIVSA-N -1 0 309.370 -0.107 20 0 DBADRM COc1nc(Cl)nnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167857793 833311572 /nfs/dbraw/zinc/31/15/72/833311572.db2.gz HNCKHLACEHEQFF-IMJSIDKUSA-N -1 0 323.718 -0.652 20 0 DBADRM CNC(=O)c1ccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc1 ZINC001167859518 833311887 /nfs/dbraw/zinc/31/18/87/833311887.db2.gz ZKBHSEKHXZNUAR-RCOVLWMOSA-N -1 0 314.323 -0.745 20 0 DBADRM C[C@H]1[C@H](Nc2ncnc3[nH]cc(F)c32)C(=O)N1S(=O)(=O)[O-] ZINC001167859147 833312012 /nfs/dbraw/zinc/31/20/12/833312012.db2.gz VHDGXRYNNWWISA-FFWSUHOLSA-N -1 0 315.286 -0.089 20 0 DBADRM C[C@H]1[C@H](Nc2cc3c(cn2)ncn3C)C(=O)N1S(=O)(=O)[O-] ZINC001167858778 833312040 /nfs/dbraw/zinc/31/20/40/833312040.db2.gz RYSQGSPKAXDYLI-WKEGUHRASA-N -1 0 311.323 -0.218 20 0 DBADRM COc1c(C)ncnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167858809 833312055 /nfs/dbraw/zinc/31/20/55/833312055.db2.gz MKBKONZPCUSHMU-BQBZGAKWSA-N -1 0 302.312 -0.392 20 0 DBADRM COCc1nccnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167859145 833312090 /nfs/dbraw/zinc/31/20/90/833312090.db2.gz VEXCILBDEIGPIU-XPUUQOCRSA-N -1 0 302.312 -0.563 20 0 DBADRM O=P([O-])([O-])OCCNc1nccnc1N1CC[NH2+]CC1 ZINC001168586526 833325708 /nfs/dbraw/zinc/32/57/08/833325708.db2.gz JSLMSZZDIKBNCJ-UHFFFAOYSA-N -1 0 303.259 -0.593 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)Nc1ncccn1 ZINC001115801416 828865951 /nfs/dbraw/zinc/86/59/51/828865951.db2.gz FFPFFWPOCLROLD-QMMMGPOBSA-N -1 0 307.314 -0.562 20 0 DBADRM Cc1ccc(N[C@@H](C)CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001115801408 828866040 /nfs/dbraw/zinc/86/60/40/828866040.db2.gz DWSPGYNVQKXTDW-VIFPVBQESA-N -1 0 321.341 -0.253 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC(n2cncn2)C1 ZINC001115972133 828870636 /nfs/dbraw/zinc/87/06/36/828870636.db2.gz MDJXUYYHNIRMAQ-UHFFFAOYSA-N -1 0 313.277 -0.275 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1nnnn1C1CC1 ZINC001116006973 828870850 /nfs/dbraw/zinc/87/08/50/828870850.db2.gz GQTMYOTUNJFYJG-UHFFFAOYSA-N -1 0 316.281 -0.864 20 0 DBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001116202694 828880660 /nfs/dbraw/zinc/88/06/60/828880660.db2.gz SNWNAQYJWONEPL-UHFFFAOYSA-N -1 0 304.266 -0.411 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001116625685 828904396 /nfs/dbraw/zinc/90/43/96/828904396.db2.gz NVPSRVMPSOPXSO-XGACYXMMSA-N -1 0 307.306 -0.594 20 0 DBADRM O=C(CSCC(=O)N1CCOCC1)[N-]OC1CCOCC1 ZINC001116647484 828905026 /nfs/dbraw/zinc/90/50/26/828905026.db2.gz YYMMEWVNJJHBQN-UHFFFAOYSA-N -1 0 318.395 -0.195 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]OC1CCOCC1 ZINC001116671523 828906524 /nfs/dbraw/zinc/90/65/24/828906524.db2.gz CQGGUNHBBAHAFO-GFCCVEGCSA-N -1 0 313.354 -0.660 20 0 DBADRM CCCNC(=O)c1cccc(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC001116716955 828909385 /nfs/dbraw/zinc/90/93/85/828909385.db2.gz GEKIVNIXTSVGJI-UHFFFAOYSA-N -1 0 322.321 -0.702 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC001116716846 828909440 /nfs/dbraw/zinc/90/94/40/828909440.db2.gz AVGSDIOJGPDYPK-VIFPVBQESA-N -1 0 305.290 -0.492 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC001116845197 828915901 /nfs/dbraw/zinc/91/59/01/828915901.db2.gz ITGCKDNSSXEHQB-UHFFFAOYSA-N -1 0 322.321 -0.151 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC001116899484 828919033 /nfs/dbraw/zinc/91/90/33/828919033.db2.gz HXDYQODBVAVCEQ-UHFFFAOYSA-N -1 0 322.383 -0.304 20 0 DBADRM Cn1nncc1C(=O)[N-]N1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC001116916522 828919687 /nfs/dbraw/zinc/91/96/87/828919687.db2.gz SKWCQADYQXSNDR-AWEZNQCLSA-N -1 0 314.305 -0.073 20 0 DBADRM CS(=O)(=O)CCCNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001117074775 828938554 /nfs/dbraw/zinc/93/85/54/828938554.db2.gz WMBLRJIFFYTUPH-UHFFFAOYSA-N -1 0 320.289 -0.463 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC001117096996 828942246 /nfs/dbraw/zinc/94/22/46/828942246.db2.gz IECQNDIINXTLOS-UHFFFAOYSA-N -1 0 321.244 -0.070 20 0 DBADRM C[C@H](CN1CCCC1=O)NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001117145119 828946880 /nfs/dbraw/zinc/94/68/80/828946880.db2.gz RXWVAYBDCPDLSF-GHMZBOCLSA-N -1 0 313.354 -0.802 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCOC[C@H]1CCCO1 ZINC001117159833 828948926 /nfs/dbraw/zinc/94/89/26/828948926.db2.gz RRZNYXQYUARNNO-NWDGAFQWSA-N -1 0 316.354 -0.618 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCOC[C@@H]1CCCO1 ZINC001117159832 828949142 /nfs/dbraw/zinc/94/91/42/828949142.db2.gz RRZNYXQYUARNNO-NEPJUHHUSA-N -1 0 316.354 -0.618 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCC(=O)N1CCCCC1 ZINC001117353785 828966586 /nfs/dbraw/zinc/96/65/86/828966586.db2.gz ZASJHHBPURWHCX-UHFFFAOYSA-N -1 0 301.343 -0.801 20 0 DBADRM COCCOC[C@@H](C)NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001117444092 828979844 /nfs/dbraw/zinc/97/98/44/828979844.db2.gz OVPPCIPXGRATFB-SNVBAGLBSA-N -1 0 304.343 -0.619 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1nnc(SC)s1 ZINC001117620733 828999505 /nfs/dbraw/zinc/99/95/05/828999505.db2.gz RWBOWWXKCMMCGS-UHFFFAOYSA-N -1 0 320.396 -0.040 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)NCc1ccc(O)c(F)c1)OC ZINC001117636524 829001892 /nfs/dbraw/zinc/00/18/92/829001892.db2.gz KBRJAQTWDIKZSR-SNVBAGLBSA-N -1 0 314.313 -0.075 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)NCCCc1n[nH]c(=O)[n-]1)CC2 ZINC001117638944 829002767 /nfs/dbraw/zinc/00/27/67/829002767.db2.gz ZUDDGQOCGKPBQT-QMMMGPOBSA-N -1 0 305.342 -0.507 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cc(CN3CCCC3)on2)C1=O ZINC001117669380 829006949 /nfs/dbraw/zinc/00/69/49/829006949.db2.gz IPRLRWAJDCJOML-UHFFFAOYSA-N -1 0 307.310 -0.191 20 0 DBADRM CCOC(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC001118179011 829044783 /nfs/dbraw/zinc/04/47/83/829044783.db2.gz JJDMEZVFFPXMJP-JTQLQIEISA-N -1 0 314.338 -0.088 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)C(=O)[N-]OCc2ccccc2)C1=O ZINC001118179877 829044929 /nfs/dbraw/zinc/04/49/29/829044929.db2.gz HSJVTIDWLNCEQS-LLVKDONJSA-N -1 0 319.317 -0.502 20 0 DBADRM C[C@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001118189539 829047198 /nfs/dbraw/zinc/04/71/98/829047198.db2.gz DCCRLZIIYFPVNQ-RWSFTLGLSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001118189538 829047549 /nfs/dbraw/zinc/04/75/49/829047549.db2.gz DCCRLZIIYFPVNQ-FIXISWKDSA-N -1 0 312.366 -0.023 20 0 DBADRM O=CNc1ccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1 ZINC001170375426 833352235 /nfs/dbraw/zinc/35/22/35/833352235.db2.gz MLQHLGYWRQKUEK-NSHDSACASA-N -1 0 302.294 -0.018 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H](C(=O)[O-])c2ccnn2C)n(C)n1 ZINC001118241969 829054726 /nfs/dbraw/zinc/05/47/26/829054726.db2.gz TWPDDUIEFNZBPA-JTQLQIEISA-N -1 0 320.309 -0.657 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1nc(C)c(C)s1 ZINC001118289863 829064221 /nfs/dbraw/zinc/06/42/21/829064221.db2.gz NAKAEHHRCDIERP-UHFFFAOYSA-N -1 0 314.367 -0.440 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)[C@@](C)(OC)C1CC1 ZINC001118297113 829064613 /nfs/dbraw/zinc/06/46/13/829064613.db2.gz KFUBNKWDZVNSEF-YMTOWFKASA-N -1 0 315.370 -0.510 20 0 DBADRM CCOC[C@@H](NC(=O)C(=O)NCC(=O)[N-]OCC)C(C)C ZINC001118301378 829065217 /nfs/dbraw/zinc/06/52/17/829065217.db2.gz OPDVXSTUWOCPJV-SNVBAGLBSA-N -1 0 303.359 -0.652 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC001118343910 829072474 /nfs/dbraw/zinc/07/24/74/829072474.db2.gz WOKSMPLZMKPJIU-LURJTMIESA-N -1 0 312.153 -0.520 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC001118349110 829073541 /nfs/dbraw/zinc/07/35/41/829073541.db2.gz SFLTWDRXPKZZLS-SNVBAGLBSA-N -1 0 323.349 -0.460 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)Cc1ccncc1 ZINC001118355157 829074844 /nfs/dbraw/zinc/07/48/44/829074844.db2.gz WHXLRVLGSLYMST-SNVBAGLBSA-N -1 0 308.338 -0.687 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCC1CC(F)(F)C1 ZINC001118361219 829075749 /nfs/dbraw/zinc/07/57/49/829075749.db2.gz KGCATNYISGGYPP-UHFFFAOYSA-N -1 0 307.297 -0.278 20 0 DBADRM CC(=O)N1CCC(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC001118389352 829078698 /nfs/dbraw/zinc/07/86/98/829078698.db2.gz LDHHCTNCDHRLQZ-VIFPVBQESA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1nnc2n1CCCC2)C(=O)[O-] ZINC001118390790 829079010 /nfs/dbraw/zinc/07/90/10/829079010.db2.gz XORQQGBMSBXVHC-QMMMGPOBSA-N -1 0 309.326 -0.933 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@H]1C=CCCC1)C2 ZINC001118481622 829089627 /nfs/dbraw/zinc/08/96/27/829089627.db2.gz BHEALQREYMGFFF-JRPNMDOOSA-N -1 0 308.334 -0.229 20 0 DBADRM COCCCn1nc(C(=O)N[C@H](C(=O)[O-])C2CC2)ccc1=O ZINC001118482670 829090212 /nfs/dbraw/zinc/09/02/12/829090212.db2.gz IBWIVWLLRPJSLV-LBPRGKRZSA-N -1 0 309.322 -0.127 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H](CO)C2)CC1 ZINC001118506455 829095123 /nfs/dbraw/zinc/09/51/23/829095123.db2.gz OPNFTHCVMDYDPC-LLVKDONJSA-N -1 0 312.366 -0.069 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)C3(C(=O)[O-])CCC3)CC2)C1=O ZINC001118512140 829096571 /nfs/dbraw/zinc/09/65/71/829096571.db2.gz HTELMCDGLCASCR-UHFFFAOYSA-N -1 0 309.322 -0.216 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001118541704 829102386 /nfs/dbraw/zinc/10/23/86/829102386.db2.gz JQCIWCKPIABHPO-CLAHSXSESA-N -1 0 323.305 -0.626 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NC[C@H]1COCCO1 ZINC001118543081 829102460 /nfs/dbraw/zinc/10/24/60/829102460.db2.gz VLHFRFBKDOBGTK-QMMMGPOBSA-N -1 0 309.278 -0.750 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@](C)(CCF)C(=O)[O-] ZINC001118546839 829103147 /nfs/dbraw/zinc/10/31/47/829103147.db2.gz VCGGTWXESATAFH-CYBMUJFWSA-N -1 0 319.333 -0.662 20 0 DBADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CCN2C(=O)N=NC2C1 ZINC001118693038 829122412 /nfs/dbraw/zinc/12/24/12/829122412.db2.gz DKHCSEXUOTZRKC-UHFFFAOYSA-N -1 0 302.250 -0.119 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC001118723732 829126839 /nfs/dbraw/zinc/12/68/39/829126839.db2.gz NNEVEYBRUDOXER-OKILXGFUSA-N -1 0 313.354 -0.945 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001118723747 829126896 /nfs/dbraw/zinc/12/68/96/829126896.db2.gz NWLZHIMCYYNKNO-HRDYMLBCSA-N -1 0 319.308 -0.280 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ncn(C)n1 ZINC001118862189 829141215 /nfs/dbraw/zinc/14/12/15/829141215.db2.gz VEUVRZHUROXTIQ-UTLUCORTSA-N -1 0 323.353 -0.439 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCn3ncnc3C2)CC[C@H]1C(=O)[O-] ZINC001118958497 829197980 /nfs/dbraw/zinc/19/79/80/829197980.db2.gz CLCSMBPGHORNDH-VHSXEESVSA-N -1 0 321.337 -0.811 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CCCCO)CC[C@H]1C(=O)[O-] ZINC001118958379 829198259 /nfs/dbraw/zinc/19/82/59/829198259.db2.gz CDDKIBWJTZDTNO-WDEREUQCSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2ncccn2)CC[C@@H]1C(=O)[O-] ZINC001119295841 829247555 /nfs/dbraw/zinc/24/75/55/829247555.db2.gz YMRXIFWHWZBRCX-ZJUUUORDSA-N -1 0 306.322 -0.338 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCO[C@H](C(F)F)CC1 ZINC001119334039 829249663 /nfs/dbraw/zinc/24/96/63/829249663.db2.gz GFACOSWNNHXVDV-QMMMGPOBSA-N -1 0 308.281 -0.150 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001119394659 829257735 /nfs/dbraw/zinc/25/77/35/829257735.db2.gz ZBMJPTDYQSVTSM-JNIYBQFBSA-N -1 0 310.350 -0.149 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n1C ZINC001119425856 829260865 /nfs/dbraw/zinc/26/08/65/829260865.db2.gz OIUPQBBLAZQZHY-UHFFFAOYSA-N -1 0 305.356 -0.790 20 0 DBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1 ZINC001119537885 829273196 /nfs/dbraw/zinc/27/31/96/829273196.db2.gz STCMMJPAMDGATE-GDLVEWKHSA-N -1 0 323.393 -0.092 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)/C=C\[C@@H]1CCOC1 ZINC001119586602 829278366 /nfs/dbraw/zinc/27/83/66/829278366.db2.gz CPPYTHHNDZUVHY-UIIMQBOASA-N -1 0 312.366 -0.176 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)/C=C/[C@H]1CCOC1 ZINC001119586599 829278452 /nfs/dbraw/zinc/27/84/52/829278452.db2.gz CPPYTHHNDZUVHY-AORQRIRUSA-N -1 0 312.366 -0.176 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)[N-]N3C(=O)[C@@H](C)N(C)C3=O)nc2C1 ZINC001119589318 829279457 /nfs/dbraw/zinc/27/94/57/829279457.db2.gz ULFGUKJOFSVLRJ-BDAKNGLRSA-N -1 0 321.337 -0.228 20 0 DBADRM CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC(=O)[N-]OC ZINC001119687170 829290912 /nfs/dbraw/zinc/29/09/12/829290912.db2.gz RCSAOHXEKKFFTH-LBPRGKRZSA-N -1 0 307.350 -0.082 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@@H](SC)C1 ZINC001119848635 829312914 /nfs/dbraw/zinc/31/29/14/829312914.db2.gz QEJKZLYIIMWSHD-SECBINFHSA-N -1 0 303.384 -0.476 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)CCOc1ccc(C)cc1 ZINC001119848009 829313304 /nfs/dbraw/zinc/31/33/04/829313304.db2.gz YBFLOMRRMMQGKH-UHFFFAOYSA-N -1 0 323.349 -0.374 20 0 DBADRM CCN(C(=O)CNC(=O)C(=O)[N-]OCCOC)c1ccccc1 ZINC001119907722 829321262 /nfs/dbraw/zinc/32/12/62/829321262.db2.gz UIAVMNVDCWWIKE-UHFFFAOYSA-N -1 0 323.349 -0.150 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@](C)(OC)CC1 ZINC001119924854 829324132 /nfs/dbraw/zinc/32/41/32/829324132.db2.gz FVULLIPEUDFTBR-ZDUSSCGKSA-N -1 0 301.343 -0.802 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC001119925209 829324629 /nfs/dbraw/zinc/32/46/29/829324629.db2.gz JOLUBJZACWSCRY-GFCCVEGCSA-N -1 0 321.333 -0.540 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCO[C@H](CCF)C1 ZINC001120206092 829341165 /nfs/dbraw/zinc/34/11/65/829341165.db2.gz HHZVVMOHUMBRIO-SECBINFHSA-N -1 0 302.310 -0.694 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@@H]2CSC[C@@H]2C1 ZINC001120301816 829349193 /nfs/dbraw/zinc/34/91/93/829349193.db2.gz UQDVCGJLFZKGMM-ZJUUUORDSA-N -1 0 312.399 -0.070 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Nc1cnc(F)cn1 ZINC001120928040 829411836 /nfs/dbraw/zinc/41/18/36/829411836.db2.gz GEPGDAZPFXLVNO-ZCFIWIBFSA-N -1 0 323.288 -0.216 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)Nc2ccc(C)nn2)c1[O-] ZINC001121453635 829484284 /nfs/dbraw/zinc/48/42/84/829484284.db2.gz DIGXRNOMDYZITL-SECBINFHSA-N -1 0 306.326 -0.275 20 0 DBADRM Cc1nsc(N[C@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001121453328 829484573 /nfs/dbraw/zinc/48/45/73/829484573.db2.gz BWHYAWPPLANKRB-ZETCQYMHSA-N -1 0 312.355 -0.214 20 0 DBADRM NC(=O)C1=NO[C@@H]2CN(C(=O)c3ccnc(Cl)c3[O-])C[C@H]12 ZINC001276260883 833414741 /nfs/dbraw/zinc/41/47/41/833414741.db2.gz ORAAYBNUSHROHL-NKWVEPMBSA-N -1 0 310.697 -0.247 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)[C@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176668636 833416093 /nfs/dbraw/zinc/41/60/93/833416093.db2.gz RKDWKLSMAGVFHR-ZXPFJRLXSA-N -1 0 324.318 -0.582 20 0 DBADRM CO[C@@H]1CCC[C@H]1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001121816717 829516557 /nfs/dbraw/zinc/51/65/57/829516557.db2.gz DXBQVZLQUGTZEQ-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCN(c2ccc3n[nH]cc3c2)CC1 ZINC001176839632 833422191 /nfs/dbraw/zinc/42/21/91/833422191.db2.gz AFVOQJACZCGMEE-UHFFFAOYSA-N -1 0 312.337 -0.033 20 0 DBADRM CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)Cc3nnn[n-]3)C[C@@H]21 ZINC001176840556 833423179 /nfs/dbraw/zinc/42/31/79/833423179.db2.gz RFQPMTYWZGYNDF-GMTAPVOTSA-N -1 0 322.369 -0.916 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCN(CCc2ccccn2)CC1 ZINC001176841344 833423270 /nfs/dbraw/zinc/42/32/70/833423270.db2.gz WMXBDHGVYFCKOH-UHFFFAOYSA-N -1 0 301.354 -0.476 20 0 DBADRM CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)Cc1nnn[n-]1 ZINC001176840841 833423278 /nfs/dbraw/zinc/42/32/78/833423278.db2.gz OEHLVQNSQWMKOG-LLVKDONJSA-N -1 0 305.298 -0.846 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCn2c(Br)cnc2C1 ZINC001176840719 833423295 /nfs/dbraw/zinc/42/32/95/833423295.db2.gz MSIYKYQWUXIRMP-UHFFFAOYSA-N -1 0 312.131 -0.256 20 0 DBADRM COc1cc(NC(=O)Cc2nnn[n-]2)c(C(N)=O)cc1OC ZINC001176844739 833424350 /nfs/dbraw/zinc/42/43/50/833424350.db2.gz IJAISRKYUHDDGL-UHFFFAOYSA-N -1 0 306.282 -0.503 20 0 DBADRM Cn1ncc(NC(=O)Cc2nnn[n-]2)c(Br)c1=O ZINC001176848941 833424481 /nfs/dbraw/zinc/42/44/81/833424481.db2.gz HYJUFWYUIPZCGW-UHFFFAOYSA-N -1 0 314.103 -0.763 20 0 DBADRM O=C(Cc1nnn[n-]1)NCCCCCCN1C(=O)C=CC1=O ZINC001176844784 833424660 /nfs/dbraw/zinc/42/46/60/833424660.db2.gz FMEOYYJLJOSLIR-UHFFFAOYSA-N -1 0 306.326 -0.656 20 0 DBADRM O=C(Cc1nnn[n-]1)N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2 ZINC001176845357 833425396 /nfs/dbraw/zinc/42/53/96/833425396.db2.gz SMGXNGHEQWIDKT-SDBXPKJASA-N -1 0 302.294 -0.634 20 0 DBADRM O=C(Cc1ccc(-n2cnnn2)cc1)N[C@H]1SC(=O)[N-]C1=O ZINC001176868398 833428593 /nfs/dbraw/zinc/42/85/93/833428593.db2.gz LUYQUFSPSMBAOI-NSHDSACASA-N -1 0 318.318 -0.370 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)N3CC(C(N)=O)C3)cc2[n-]c1=S ZINC001123850092 829682820 /nfs/dbraw/zinc/68/28/20/829682820.db2.gz CIDIHCRCOMSYHS-UHFFFAOYSA-N -1 0 318.358 -0.221 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNc2ncccn2)c1[O-] ZINC001124310747 829736956 /nfs/dbraw/zinc/73/69/56/829736956.db2.gz WPZALTXWZYNMRA-VIFPVBQESA-N -1 0 306.326 -0.241 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN[C@H](C)c2nnnn2C2CC2)c1[O-] ZINC001125734146 829875842 /nfs/dbraw/zinc/87/58/42/829875842.db2.gz HPGMCCNIRFWYJE-MRVPVSSYSA-N -1 0 320.357 -0.174 20 0 DBADRM CCn1c(C)nnc1CNCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001125728752 829876240 /nfs/dbraw/zinc/87/62/40/829876240.db2.gz MLFGXUUTXNIMLP-UHFFFAOYSA-N -1 0 307.358 -0.137 20 0 DBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001180172088 833571159 /nfs/dbraw/zinc/57/11/59/833571159.db2.gz LJNKJEAMAPJKLD-WDSKDSINSA-N -1 0 303.208 -0.457 20 0 DBADRM CC1(C)C(=O)NC[C@@H]1NC(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180180302 833572152 /nfs/dbraw/zinc/57/21/52/833572152.db2.gz OEEUCVLODFRJLV-BYPYZUCNSA-N -1 0 300.208 -0.018 20 0 DBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)N[C@@H](CO)Cc1c[nH]cn1 ZINC001180177019 833572572 /nfs/dbraw/zinc/57/25/72/833572572.db2.gz WWJIIZBIBWRLTG-ZCFIWIBFSA-N -1 0 313.207 -0.216 20 0 DBADRM O=C(CN1C[C@@H](c2ccccc2)CC1=O)NCS(=O)(=O)[O-] ZINC001180311801 833581160 /nfs/dbraw/zinc/58/11/60/833581160.db2.gz FYXGCFWYRUDCGB-NSHDSACASA-N -1 0 312.347 -0.036 20 0 DBADRM COCCN1C[C@H](C(=O)NCCCC[P@@](=O)([O-])O)CC1=O ZINC001180891043 833608307 /nfs/dbraw/zinc/60/83/07/833608307.db2.gz MGTWHBWJDAVPQY-SNVBAGLBSA-N -1 0 322.298 -0.445 20 0 DBADRM CC(=O)N[C@H](Cc1c(F)cccc1F)C(=O)NCc1nnn[n-]1 ZINC001181318454 833626602 /nfs/dbraw/zinc/62/66/02/833626602.db2.gz GBEWBWJKVUFQMG-LLVKDONJSA-N -1 0 324.291 -0.159 20 0 DBADRM Cc1nc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)c(C)o1 ZINC001130864962 830401200 /nfs/dbraw/zinc/40/12/00/830401200.db2.gz NOHPUFXXCVTJHD-UHFFFAOYSA-N -1 0 308.298 -0.593 20 0 DBADRM Cc1nnc([C@@H](C)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001130865107 830401556 /nfs/dbraw/zinc/40/15/56/830401556.db2.gz PTDSWNCYKHSBKH-RXMQYKEDSA-N -1 0 309.286 -0.945 20 0 DBADRM C[C@@H](NCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1csnn1 ZINC001130863814 830401572 /nfs/dbraw/zinc/40/15/72/830401572.db2.gz VRIKVMQUOLPKSB-RXMQYKEDSA-N -1 0 311.327 -0.785 20 0 DBADRM CCNC(=O)CC(=O)N[C@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001131984205 830569387 /nfs/dbraw/zinc/56/93/87/830569387.db2.gz HETVVTPXGNPCDR-UWVGGRQHSA-N -1 0 324.385 -0.494 20 0 DBADRM CNC(=O)CC(=O)N[C@@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001132006293 830574414 /nfs/dbraw/zinc/57/44/14/830574414.db2.gz IPIJSBFNVKBVCN-DTWKUNHWSA-N -1 0 310.358 -0.885 20 0 DBADRM Cc1cnc(CNCCNC(=O)c2cnc([O-])n(C)c2=O)s1 ZINC001132242499 830612357 /nfs/dbraw/zinc/61/23/57/830612357.db2.gz PUTMXRFRZVXIGA-UHFFFAOYSA-N -1 0 323.378 -0.230 20 0 DBADRM O=C(Cn1nc(Cl)ccc1=O)NCCCC[P@](=O)([O-])O ZINC001181895145 833648109 /nfs/dbraw/zinc/64/81/09/833648109.db2.gz PWOVLYZKDHQFLF-UHFFFAOYSA-N -1 0 323.673 -0.029 20 0 DBADRM O=C(Cc1ccc(N2CCNC2=O)cc1)NCc1nnn[n-]1 ZINC001182055728 833654244 /nfs/dbraw/zinc/65/42/44/833654244.db2.gz VXICYVPHXXNLRL-UHFFFAOYSA-N -1 0 301.310 -0.412 20 0 DBADRM CC(=O)SC[C@@H](C)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001183132312 833707938 /nfs/dbraw/zinc/70/79/38/833707938.db2.gz MNKLMLMRCWTTEF-CHKWXVPMSA-N -1 0 324.380 -0.580 20 0 DBADRM CC(=O)N[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)[C@@H](C)OC(C)(C)C ZINC001183958300 833743286 /nfs/dbraw/zinc/74/32/86/833743286.db2.gz AJHDNAKDBLBCCA-XCBNKYQSSA-N -1 0 313.358 -0.165 20 0 DBADRM O=C(NCc1nnn[n-]1)c1c[nH]nc1I ZINC001136627271 831164229 /nfs/dbraw/zinc/16/42/29/831164229.db2.gz CKVJDXDEVANZJM-UHFFFAOYSA-N -1 0 319.066 -0.543 20 0 DBADRM CN1CCCC[C@H](C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)C1=O ZINC001136655980 831164969 /nfs/dbraw/zinc/16/49/69/831164969.db2.gz OOOJUIVMNRYOGL-VHSXEESVSA-N -1 0 308.342 -0.642 20 0 DBADRM O=C(c1cnc2n[nH]cc2c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001136656412 831165009 /nfs/dbraw/zinc/16/50/09/831165009.db2.gz FLEFAICDXYOVLO-SECBINFHSA-N -1 0 300.282 -0.315 20 0 DBADRM O=C(CCCCc1c[nH]nn1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001136655836 831165058 /nfs/dbraw/zinc/16/50/58/831165058.db2.gz JZLXTOHSLYUBAM-JTQLQIEISA-N -1 0 306.330 -0.369 20 0 DBADRM C[C@H](C(=O)NCc1nc(=O)o[n-]1)N1C(=O)c2ccccc2C1=O ZINC001137740743 831171978 /nfs/dbraw/zinc/17/19/78/831171978.db2.gz QITFVCCSAYIEKF-SSDOTTSWSA-N -1 0 316.273 -0.336 20 0 DBADRM C[C@H](C(=O)[N-]OCC(N)=O)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001137887783 831172390 /nfs/dbraw/zinc/17/23/90/831172390.db2.gz WCCVMEWAYABOKX-IUCAKERBSA-N -1 0 319.358 -0.617 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cn(-c2cccnc2)nn1 ZINC001139476620 831180137 /nfs/dbraw/zinc/18/01/37/831180137.db2.gz HZXFJXJXIYDWCZ-UHFFFAOYSA-N -1 0 301.266 -0.689 20 0 DBADRM COc1cccc(CN2CCO[C@H](C(N)=O)C2)c1OCC(=O)[O-] ZINC001139272125 831180453 /nfs/dbraw/zinc/18/04/53/831180453.db2.gz XRONWBDEXVFEFN-LBPRGKRZSA-N -1 0 324.333 -0.155 20 0 DBADRM C[C@]1(C[C@@H]2CCCN2C(=O)c2c[n-]ncc2=O)NC(=O)NC1=O ZINC001140504705 831186953 /nfs/dbraw/zinc/18/69/53/831186953.db2.gz BGVMEJZSBQPXEW-RMLUDKJBSA-N -1 0 319.321 -0.225 20 0 DBADRM O=C(CCC(=O)N[C@@H]1SC(=O)[N-]C1=O)NCc1cccnc1 ZINC001142330102 831210945 /nfs/dbraw/zinc/21/09/45/831210945.db2.gz RASRDNDWTREUOJ-GFCCVEGCSA-N -1 0 322.346 -0.097 20 0 DBADRM O=C(CCC(=O)N[C@H]1SC(=O)[N-]C1=O)NCc1cccnc1 ZINC001142330103 831211346 /nfs/dbraw/zinc/21/13/46/831211346.db2.gz RASRDNDWTREUOJ-LBPRGKRZSA-N -1 0 322.346 -0.097 20 0 DBADRM CC/C=C(\C)C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001142665189 831217883 /nfs/dbraw/zinc/21/78/83/831217883.db2.gz DFLDEWIEPMHWOL-JGFQJBNPSA-N -1 0 317.327 -0.295 20 0 DBADRM CN(C)C(=O)CCC(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001143057174 831228184 /nfs/dbraw/zinc/22/81/84/831228184.db2.gz UTKDXTNBKTXCHQ-UHFFFAOYSA-N -1 0 311.385 -0.473 20 0 DBADRM N=C(NC(=O)CN1CCCC1=O)SCCS(=O)(=O)[O-] ZINC001143248963 831232112 /nfs/dbraw/zinc/23/21/12/831232112.db2.gz AKYREKAYEIQKPI-UHFFFAOYSA-N -1 0 309.369 -0.719 20 0 DBADRM CN1CCO[C@H](C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)C1=O ZINC001143305672 831236201 /nfs/dbraw/zinc/23/62/01/831236201.db2.gz INXINWHVAAZADP-SNVBAGLBSA-N -1 0 318.289 -0.174 20 0 DBADRM O=C([O-])C(=O)N1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001143420812 831237026 /nfs/dbraw/zinc/23/70/26/831237026.db2.gz YEBLFODKIGAJOB-UHFFFAOYSA-N -1 0 319.277 -0.772 20 0 DBADRM O=C([O-])C(=O)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001143419750 831237083 /nfs/dbraw/zinc/23/70/83/831237083.db2.gz PYZGFUIGHZFTBA-GHMZBOCLSA-N -1 0 308.265 -0.147 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](NC(=O)C(=O)[O-])CO[C@@H]2C1 ZINC001143419941 831237242 /nfs/dbraw/zinc/23/72/42/831237242.db2.gz BQHHOXMTEDIXSU-HRDYMLBCSA-N -1 0 300.311 -0.179 20 0 DBADRM CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)C(=O)[O-])C2 ZINC001143413052 831237343 /nfs/dbraw/zinc/23/73/43/831237343.db2.gz HVPFOZWDECUERO-AWEZNQCLSA-N -1 0 314.338 -0.817 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)[C@H]1[C@H](O)CCN1Cc1ccccc1 ZINC001143675843 831241544 /nfs/dbraw/zinc/24/15/44/831241544.db2.gz KJPXTKSFZLCCCC-JHJVBQTASA-N -1 0 305.334 -0.832 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)[C@@H]1[C@H](O)CCN1Cc1ccccc1 ZINC001143675846 831243015 /nfs/dbraw/zinc/24/30/15/831243015.db2.gz KJPXTKSFZLCCCC-UPJWGTAASA-N -1 0 305.334 -0.832 20 0 DBADRM O=C(NCc1nnc([O-])n1C1CC1)c1cccn2c(=O)[nH]nc12 ZINC001143932648 831243799 /nfs/dbraw/zinc/24/37/99/831243799.db2.gz GHMFQQIMDNHPEN-UHFFFAOYSA-N -1 0 315.293 -0.003 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001143974523 831245089 /nfs/dbraw/zinc/24/50/89/831245089.db2.gz RHVYPOMBPGNGPO-NSHDSACASA-N -1 0 300.322 -0.135 20 0 DBADRM CNC(=O)/C=C/C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001144085861 831246019 /nfs/dbraw/zinc/24/60/19/831246019.db2.gz FPLRULQSGKVOLY-SNAWJCMRSA-N -1 0 309.303 -0.641 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cc2ccccc2O)C(=O)N1S(=O)(=O)[O-] ZINC001144270420 831249442 /nfs/dbraw/zinc/24/94/42/831249442.db2.gz MUCBSWDKQTWEIN-CPCISQLKSA-N -1 0 314.319 -0.547 20 0 DBADRM COC(=O)C[C@@H](C)CC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001144383703 831252660 /nfs/dbraw/zinc/25/26/60/831252660.db2.gz WNCPPJNTLDWSAD-BYULHYEWSA-N -1 0 322.339 -0.906 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](NC(C)=O)C(C)C ZINC001144369049 831252728 /nfs/dbraw/zinc/25/27/28/831252728.db2.gz VSJUFVOLTGEFGG-ONGXEEELSA-N -1 0 302.327 -0.330 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](O)c1ccc(O)cc1 ZINC001144607873 831258229 /nfs/dbraw/zinc/25/82/29/831258229.db2.gz MCNXHYVGTBLNOL-JQWIXIFHSA-N -1 0 311.290 -0.052 20 0 DBADRM CSCC[C@H](NC(C)=O)C(=O)N=c1ncnc2[nH][nH]cc1-2 ZINC001144853716 831260561 /nfs/dbraw/zinc/26/05/61/831260561.db2.gz ABBDRRZAUAXOES-VIFPVBQESA-N -1 0 308.367 -0.077 20 0 DBADRM CSCC[C@H](NC(C)=O)C(=O)Nc1c(N)[nH]c(=O)[nH]c1=O ZINC001144853790 831260767 /nfs/dbraw/zinc/26/07/67/831260767.db2.gz DLDOEDADQDSBPM-LURJTMIESA-N -1 0 315.355 -0.334 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnn[n-]1 ZINC001145104091 831265232 /nfs/dbraw/zinc/26/52/32/831265232.db2.gz ALQWDHZVEADWRV-SVRRBLITSA-N -1 0 300.319 -0.910 20 0 DBADRM CC(C)(C)OC(=O)N[C@@](C)(CO)C(=O)NCS(=O)(=O)[O-] ZINC001146189249 831267035 /nfs/dbraw/zinc/26/70/35/831267035.db2.gz NGHOWSGBTIEUDX-JTQLQIEISA-N -1 0 312.344 -0.776 20 0 DBADRM Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001184999849 833776644 /nfs/dbraw/zinc/77/66/44/833776644.db2.gz IPIXLYAQLPQGDX-UHFFFAOYSA-N -1 0 316.730 -0.237 20 0 DBADRM NC(=O)c1cnc([N-]S(=O)(=O)c2cnc(Cl)nc2)cn1 ZINC001185005642 833776894 /nfs/dbraw/zinc/77/68/94/833776894.db2.gz ISURDRMPYLYZJY-UHFFFAOYSA-N -1 0 314.714 -0.180 20 0 DBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]CC(=O)NC)nc1C ZINC001184976715 833776911 /nfs/dbraw/zinc/77/69/11/833776911.db2.gz RJUSALUWZMARDH-UHFFFAOYSA-N -1 0 321.380 -0.347 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)C1CC=CC1 ZINC001146702974 831292256 /nfs/dbraw/zinc/29/22/56/831292256.db2.gz ATICYCTUXCQJDZ-LBPRGKRZSA-N -1 0 320.349 -0.006 20 0 DBADRM CSc1ncc([O-])c(C(=O)N2CCS(=O)(=O)CC2)n1 ZINC001185169171 833782604 /nfs/dbraw/zinc/78/26/04/833782604.db2.gz WXZHDOIBOZMYES-UHFFFAOYSA-N -1 0 303.365 -0.225 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cc(F)ncc2F)C(=O)N1S(=O)(=O)[O-] ZINC001146973842 831315386 /nfs/dbraw/zinc/31/53/86/831315386.db2.gz ORDKALCGCVMRQR-NVNXEXLPSA-N -1 0 321.261 -0.508 20 0 DBADRM CC[C@@H]1CCCN1C(=O)C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001147046080 831330991 /nfs/dbraw/zinc/33/09/91/831330991.db2.gz HVHBTQKOUYWXQR-SECBINFHSA-N -1 0 310.358 -0.883 20 0 DBADRM CC[C@H]1CCCN1C(=O)C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001147046081 831331212 /nfs/dbraw/zinc/33/12/12/831331212.db2.gz HVHBTQKOUYWXQR-VIFPVBQESA-N -1 0 310.358 -0.883 20 0 DBADRM COC(=O)c1cnc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)cn1 ZINC001148181127 831433997 /nfs/dbraw/zinc/43/39/97/831433997.db2.gz ZGRAKUBFUKZZHP-ZCFIWIBFSA-N -1 0 307.266 -0.810 20 0 DBADRM COCCCOC1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001148674288 831469028 /nfs/dbraw/zinc/46/90/28/831469028.db2.gz IQCOQMGVAMTRCZ-UHFFFAOYSA-N -1 0 314.342 -0.267 20 0 DBADRM CS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148914881 831477976 /nfs/dbraw/zinc/47/79/76/831477976.db2.gz FYPRWNUOZVIGKG-UHFFFAOYSA-N -1 0 323.348 -0.587 20 0 DBADRM O=C(NCCn1ccnn1)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148915219 831478233 /nfs/dbraw/zinc/47/82/33/831478233.db2.gz MAYFPCBNADESFU-UHFFFAOYSA-N -1 0 312.307 -0.340 20 0 DBADRM O=C(NC[C@@H]1CNC(=O)O1)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148934013 831478937 /nfs/dbraw/zinc/47/89/37/831478937.db2.gz QGHLOUBIXUAPIT-ZCFIWIBFSA-N -1 0 316.291 -0.523 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148917960 831479074 /nfs/dbraw/zinc/47/90/74/831479074.db2.gz ISIUJEHJALHQHR-ZETCQYMHSA-N -1 0 314.319 -0.401 20 0 DBADRM CN(C)C(=O)CN(C)C(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148919739 831479187 /nfs/dbraw/zinc/47/91/87/831479187.db2.gz WGJHZDHNRAJXRN-UHFFFAOYSA-N -1 0 316.335 -0.201 20 0 DBADRM CC(F)(F)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001149059162 831489628 /nfs/dbraw/zinc/48/96/28/831489628.db2.gz ROGIVEFNUJONEP-QMMMGPOBSA-N -1 0 319.312 -0.127 20 0 DBADRM C[C@H](NCCNC(=O)Cn1c(=O)[n-][nH]c1=O)c1csnn1 ZINC001149160449 831501394 /nfs/dbraw/zinc/50/13/94/831501394.db2.gz CLNDXYXMZZDASY-LURJTMIESA-N -1 0 313.343 -0.992 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)C1=CN2NC=CC=C2N1 ZINC001149444112 831533122 /nfs/dbraw/zinc/53/31/22/831533122.db2.gz QADJRTAFBYTCGV-QMMMGPOBSA-N -1 0 308.294 -0.871 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N[C@H]3SC(=O)[N-]C3=O)nc2n1 ZINC001150718781 831641543 /nfs/dbraw/zinc/64/15/43/831641543.db2.gz DAXFAMNDPNZLOO-VIFPVBQESA-N -1 0 306.307 -0.220 20 0 DBADRM O=C(c1ccn2nccc2n1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001150802397 831647510 /nfs/dbraw/zinc/64/75/10/831647510.db2.gz BTTIELMYIAGHCV-SECBINFHSA-N -1 0 300.282 -0.544 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2ccn3ccnc3c2)C(=O)N1S(=O)(=O)[O-] ZINC001151332821 831679230 /nfs/dbraw/zinc/67/92/30/831679230.db2.gz VXKMSBRGIKXFIS-XVKPBYJWSA-N -1 0 324.318 -0.534 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)CN(C)C(C)=O ZINC001151973954 831718640 /nfs/dbraw/zinc/71/86/40/831718640.db2.gz NJVHABDMZBCNLF-SECBINFHSA-N -1 0 312.374 -0.685 20 0 DBADRM Cn1cc(CCNC(=O)Cn2c(=O)[n-][nH]c2=O)c2cccnc21 ZINC001152095807 831725142 /nfs/dbraw/zinc/72/51/42/831725142.db2.gz ZYKPJWAPLWPCDW-UHFFFAOYSA-N -1 0 316.321 -0.065 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)COCCOC ZINC001152432478 831750906 /nfs/dbraw/zinc/75/09/06/831750906.db2.gz QBKQQJABFIUSGX-SNVBAGLBSA-N -1 0 315.374 -0.500 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)c1cccc2c1NC(=O)C2=O ZINC001152459890 831752861 /nfs/dbraw/zinc/75/28/61/831752861.db2.gz GJUVFVQHBQDLBQ-UHFFFAOYSA-N -1 0 304.258 -0.015 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1nccnc1N ZINC001152469907 831753194 /nfs/dbraw/zinc/75/31/94/831753194.db2.gz CSHZRFHVEKLZSG-MRVPVSSYSA-N -1 0 320.357 -0.477 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cnc2n(c1=O)CCS2 ZINC001152502406 831756366 /nfs/dbraw/zinc/75/63/66/831756366.db2.gz ACJVHJKCALLBBO-SSDOTTSWSA-N -1 0 312.332 -0.612 20 0 DBADRM O=C(c1ccc2[nH]c(=O)[nH]c2n1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001153000575 831785015 /nfs/dbraw/zinc/78/50/15/831785015.db2.gz GCQINCIBGUTPAZ-LURJTMIESA-N -1 0 300.282 -0.194 20 0 DBADRM CO[C@@H](C(=O)OC(C)(C)C)C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001153002362 831785463 /nfs/dbraw/zinc/78/54/63/831785463.db2.gz TZFSZXAKPNDCPK-RKDXNWHRSA-N -1 0 311.342 -0.128 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cnc2c(Br)cnn2c1 ZINC001153184244 831797460 /nfs/dbraw/zinc/79/74/60/831797460.db2.gz ONBDGNVFSLOBRV-UHFFFAOYSA-N -1 0 323.114 -0.065 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)c1ccc(-n2cncn2)nc1 ZINC001153871181 831842994 /nfs/dbraw/zinc/84/29/94/831842994.db2.gz AHMMANSKGCZUDD-UHFFFAOYSA-N -1 0 311.309 -0.015 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1cn[nH]c(=O)c1 ZINC001153918591 831849815 /nfs/dbraw/zinc/84/98/15/831849815.db2.gz KKKWGFSVEPVSJO-MRVPVSSYSA-N -1 0 321.341 -0.354 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001153947749 831853350 /nfs/dbraw/zinc/85/33/50/831853350.db2.gz DICDZLDVNRGWDF-NXEZZACHSA-N -1 0 324.385 -0.494 20 0 DBADRM COc1ccc2c(=O)cc(C(=O)NCc3nnn[n-]3)[nH]c2c1 ZINC001154119169 831861925 /nfs/dbraw/zinc/86/19/25/831861925.db2.gz HXYYVNGJHDRZCU-UHFFFAOYSA-N -1 0 300.278 -0.020 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@@H](C)CC(N)=O ZINC001154592644 831888164 /nfs/dbraw/zinc/88/81/64/831888164.db2.gz RHNFXUVZEMRGEF-DTWKUNHWSA-N -1 0 312.374 -0.652 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCn3nncc3C2)nc1 ZINC001154828884 831901398 /nfs/dbraw/zinc/90/13/98/831901398.db2.gz AEBVJQODAZAABP-UHFFFAOYSA-N -1 0 322.350 -0.482 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@@]1(F)CCOC1 ZINC001154826020 831901776 /nfs/dbraw/zinc/90/17/76/831901776.db2.gz KPTUAXPCUKDKKZ-NOZJJQNGSA-N -1 0 315.349 -0.035 20 0 DBADRM CS(=O)(=O)C1(C(=O)NCCc2n[n-]c(=S)o2)CCC1 ZINC001154900528 831905962 /nfs/dbraw/zinc/90/59/62/831905962.db2.gz FOHBEQLLBBQQIS-UHFFFAOYSA-N -1 0 305.381 -0.016 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cc3[nH]ccc3cn2)C(=O)N1S(=O)(=O)[O-] ZINC001154969097 831911457 /nfs/dbraw/zinc/91/14/57/831911457.db2.gz ICLTWIZKJMGDLG-WKEGUHRASA-N -1 0 324.318 -0.305 20 0 DBADRM COC[C@@H](NC(=O)CCN1C(=O)C(C)=C(C)C1=O)c1nnn[n-]1 ZINC001155069717 831914973 /nfs/dbraw/zinc/91/49/73/831914973.db2.gz RMMAMZJQCNEHGM-SECBINFHSA-N -1 0 322.325 -0.901 20 0 DBADRM O=C(C[C@H]1CC(=O)NC1=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001155746702 831950296 /nfs/dbraw/zinc/95/02/96/831950296.db2.gz YJYBALYQIMIIAR-JGVFFNPUSA-N -1 0 307.310 -0.731 20 0 DBADRM COC(=O)c1nc2cnccc2c(N[C@H]2SC(=O)[N-]C2=O)n1 ZINC001155844332 831955104 /nfs/dbraw/zinc/95/51/04/831955104.db2.gz ZCLUOBXZBIAKEE-JTQLQIEISA-N -1 0 319.302 -0.046 20 0 DBADRM COC(=O)c1nc2cnccc2c(N[C@@H]2SC(=O)[N-]C2=O)n1 ZINC001155844333 831955202 /nfs/dbraw/zinc/95/52/02/831955202.db2.gz ZCLUOBXZBIAKEE-SNVBAGLBSA-N -1 0 319.302 -0.046 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1cccnn1 ZINC001155974499 831961451 /nfs/dbraw/zinc/96/14/51/831961451.db2.gz OILFQUYFEYZJII-SECBINFHSA-N -1 0 305.342 -0.059 20 0 DBADRM NS(=O)(=O)c1ccc(NCC[N-]C(=O)C(F)(F)F)nn1 ZINC001156205195 831974802 /nfs/dbraw/zinc/97/48/02/831974802.db2.gz OFJFLIHCLFBWME-UHFFFAOYSA-N -1 0 313.261 -0.786 20 0 DBADRM CCOC(=O)N1CCc2nnc(N[C@@H]3CO[N-]C3=O)cc2C1 ZINC001156696266 831994859 /nfs/dbraw/zinc/99/48/59/831994859.db2.gz DBGCVLMAECDQTA-SNVBAGLBSA-N -1 0 307.310 -0.167 20 0 DBADRM O=C(NC1CCOCC1)c1ccc(N[C@@H]2CO[N-]C2=O)nn1 ZINC001156696541 831994886 /nfs/dbraw/zinc/99/48/86/831994886.db2.gz JDPGHIGOAHLEFQ-SNVBAGLBSA-N -1 0 307.310 -0.773 20 0 DBADRM O=C1[N-]OC[C@H]1Nc1ncccc1S(=O)(=O)N1CCCC1 ZINC001156694657 831995069 /nfs/dbraw/zinc/99/50/69/831995069.db2.gz HKJQSQVOKHZSEE-SECBINFHSA-N -1 0 312.351 -0.292 20 0 DBADRM CCOC(=O)c1cnc([S@@](C)=O)nc1N[C@@H]1CO[N-]C1=O ZINC001156694660 831995136 /nfs/dbraw/zinc/99/51/36/831995136.db2.gz HMXKBARUGYPQGO-WODJRTHDSA-N -1 0 314.323 -0.767 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)[N-]OCC(C)(C)O ZINC001156707472 831995457 /nfs/dbraw/zinc/99/54/57/831995457.db2.gz FJMXQWBICIGBSZ-MWLCHTKSSA-N -1 0 302.371 -0.139 20 0 DBADRM CCOc1cncc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157067667 832018402 /nfs/dbraw/zinc/01/84/02/832018402.db2.gz MHVHOKOGCBJSRO-RCOVLWMOSA-N -1 0 302.312 -0.311 20 0 DBADRM COc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc(OC)c1 ZINC001157070662 832018992 /nfs/dbraw/zinc/01/89/92/832018992.db2.gz JWNUNLLKRXMGKU-WKEGUHRASA-N -1 0 317.323 -0.087 20 0 DBADRM COc1ncc(F)c(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157071771 832019005 /nfs/dbraw/zinc/01/90/05/832019005.db2.gz WNLCHDSDDAMFLB-NJGYIYPDSA-N -1 0 306.275 -0.562 20 0 DBADRM COC(=O)c1cnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cn1 ZINC001157067862 832019274 /nfs/dbraw/zinc/01/92/74/832019274.db2.gz WJXHNEWNZYMSFJ-XNCJUZBTSA-N -1 0 316.295 -0.923 20 0 DBADRM COc1cnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc1OC ZINC001157070266 832019290 /nfs/dbraw/zinc/01/92/90/832019290.db2.gz FIURYCSSPMITKE-FSPLSTOPSA-N -1 0 318.311 -0.692 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001157227218 832028276 /nfs/dbraw/zinc/02/82/76/832028276.db2.gz DBRDOGZQRCSVME-WDEREUQCSA-N -1 0 324.337 -0.583 20 0 DBADRM CNC(=O)c1ccc(NC(=N)SCCS(=O)(=O)[O-])nn1 ZINC001157326509 832034353 /nfs/dbraw/zinc/03/43/53/832034353.db2.gz VVRSKOMIZPIIKI-UHFFFAOYSA-N -1 0 319.368 -0.196 20 0 DBADRM CC(C)N(CCOCCO)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001157368336 832038771 /nfs/dbraw/zinc/03/87/71/832038771.db2.gz JORPPXYCROXZHV-UHFFFAOYSA-N -1 0 316.358 -0.285 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC001157837451 832065903 /nfs/dbraw/zinc/06/59/03/832065903.db2.gz YIAGEPCQRATKKI-CQSZACIVSA-N -1 0 320.305 -0.851 20 0 DBADRM CNC(=O)CC(=O)N1CCCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001157865165 832067560 /nfs/dbraw/zinc/06/75/60/832067560.db2.gz OSYKWKBPOVSNRB-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM C[C@@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1ccncc1 ZINC001185654090 833803665 /nfs/dbraw/zinc/80/36/65/833803665.db2.gz MEOLOPFQLHEYKQ-MRVPVSSYSA-N -1 0 315.270 -0.192 20 0 DBADRM CN(CC(=O)NCc1cccn1C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663738 833804402 /nfs/dbraw/zinc/80/44/02/833804402.db2.gz MYGQYSMKVOMBKU-UHFFFAOYSA-N -1 0 303.259 -0.810 20 0 DBADRM CCC1(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])COC1 ZINC001185662784 833804867 /nfs/dbraw/zinc/80/48/67/833804867.db2.gz GAMXVYVKOBIXRU-UHFFFAOYSA-N -1 0 308.275 -0.922 20 0 DBADRM CN(CC(=O)NC[C@H]1CCCCO1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664607 833805326 /nfs/dbraw/zinc/80/53/26/833805326.db2.gz WUDDQVQBAOLZFN-MRVPVSSYSA-N -1 0 308.275 -0.779 20 0 DBADRM C[C@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1cnn(C)c1 ZINC001185664194 833805440 /nfs/dbraw/zinc/80/54/40/833805440.db2.gz RTEDLSYAQUPHRY-ZETCQYMHSA-N -1 0 318.274 -0.854 20 0 DBADRM CN(CC(=O)NC1(CC2CC2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185667376 833805544 /nfs/dbraw/zinc/80/55/44/833805544.db2.gz KMALIEGVRASXKM-UHFFFAOYSA-N -1 0 304.287 -0.016 20 0 DBADRM C[C@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1ccno1 ZINC001185667823 833805658 /nfs/dbraw/zinc/80/56/58/833805658.db2.gz QLAPYZTWOBZCGX-LURJTMIESA-N -1 0 305.231 -0.599 20 0 DBADRM C[C@H]1C[C@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CCO1 ZINC001185666410 833805676 /nfs/dbraw/zinc/80/56/76/833805676.db2.gz CGLWOUYXUFLLNE-JGVFFNPUSA-N -1 0 308.275 -0.781 20 0 DBADRM Cc1nocc1CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664609 833805953 /nfs/dbraw/zinc/80/59/53/833805953.db2.gz WVDUEKSFDWNQRY-UHFFFAOYSA-N -1 0 305.231 -0.852 20 0 DBADRM COC[C@@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1CC1 ZINC001185667799 833805972 /nfs/dbraw/zinc/80/59/72/833805972.db2.gz QAJMFFMSUSRXSX-MRVPVSSYSA-N -1 0 308.275 -0.924 20 0 DBADRM CN(CC(=O)NC1(C(F)(F)F)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185667437 833805980 /nfs/dbraw/zinc/80/59/80/833805980.db2.gz NFWMRMCIKMOKRY-UHFFFAOYSA-N -1 0 318.192 -0.254 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2CO)ccc1F ZINC001186207891 833837788 /nfs/dbraw/zinc/83/77/88/833837788.db2.gz ANGIDXSTCVUATB-HTQZYQBOSA-N -1 0 319.310 -0.360 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC(=O)CCO)ccc1F ZINC001186208675 833837975 /nfs/dbraw/zinc/83/79/75/833837975.db2.gz UPQZALWEKIIKRI-UHFFFAOYSA-N -1 0 305.283 -0.246 20 0 DBADRM CCOCCN1CC[C@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001269576574 832451150 /nfs/dbraw/zinc/45/11/50/832451150.db2.gz PJNGEEDFPSUYRO-CQSZACIVSA-N -1 0 322.369 -0.628 20 0 DBADRM CC(=O)[C@H](C)N1CC[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269576504 832451233 /nfs/dbraw/zinc/45/12/33/832451233.db2.gz NMQOWVZPXQWXME-XPTSAGLGSA-N -1 0 320.353 -0.829 20 0 DBADRM CCCCN1C[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269576342 832451266 /nfs/dbraw/zinc/45/12/66/832451266.db2.gz JGLQJXVSPBOPGV-AWEZNQCLSA-N -1 0 322.369 -0.628 20 0 DBADRM CCOCCCN1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001269881024 832479685 /nfs/dbraw/zinc/47/96/85/832479685.db2.gz BNBUWOXICINOPA-UHFFFAOYSA-N -1 0 313.358 -0.742 20 0 DBADRM CN1CCO[C@@]2(CCCN(C(=O)Cn3nn[n-]c3=S)C2)C1 ZINC001270300512 832521127 /nfs/dbraw/zinc/52/11/27/832521127.db2.gz YBBAJVRTTXCVNA-LBPRGKRZSA-N -1 0 312.399 -0.715 20 0 DBADRM NC(=O)[C@H]1CCC[C@@]12CCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270939443 832598495 /nfs/dbraw/zinc/59/84/95/832598495.db2.gz VYZHUQWMJNWUPN-PELKAZGASA-N -1 0 310.383 -0.534 20 0 DBADRM CC/C=C(/C)C(=O)NC[C@@]1(O)CCN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001271118289 832622059 /nfs/dbraw/zinc/62/20/59/832622059.db2.gz AWBMURXAXWJMIL-GHAIFCDISA-N -1 0 323.397 -0.482 20 0 DBADRM O=C(CCO)N1CCc2onc(C(=O)[N-]c3nnco3)c2C1 ZINC001271281013 832650051 /nfs/dbraw/zinc/65/00/51/832650051.db2.gz STXYRPRTKGNNHK-UHFFFAOYSA-N -1 0 307.266 -0.423 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCn2c(nnc2C(=O)Nc2nnco2)C1 ZINC001271383963 832663397 /nfs/dbraw/zinc/66/33/97/832663397.db2.gz FQVPMYOQXCSECY-YUMQZZPRSA-N -1 0 317.309 -0.088 20 0 DBADRM CN1CC[C@]2(CCCN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)CC2)C1=O ZINC001271609225 832686686 /nfs/dbraw/zinc/68/66/86/832686686.db2.gz QHHPRYLQHHLRQT-HNNXBMFYSA-N -1 0 320.349 -0.462 20 0 DBADRM C[C@H](F)C(=O)N1CCc2cc(C(=O)N=c3nn[n-]n3C)[nH]c2C1 ZINC001272009695 832730250 /nfs/dbraw/zinc/73/02/50/832730250.db2.gz MOFNXLVRGXNUEE-ZETCQYMHSA-N -1 0 321.316 -0.545 20 0 DBADRM Cc1ccc(C(=O)N(CCO)CC[NH2+]Cc2n[nH]c(=O)[n-]2)n1C ZINC001272110067 832742630 /nfs/dbraw/zinc/74/26/30/832742630.db2.gz PVCYGDPKVHZBCY-UHFFFAOYSA-N -1 0 322.369 -0.618 20 0 DBADRM CNC(=O)c1nccnc1[N-]S(=O)(=O)CCC(=O)OC ZINC001188360580 833978821 /nfs/dbraw/zinc/97/88/21/833978821.db2.gz UQUUTEWXRPWXEM-UHFFFAOYSA-N -1 0 302.312 -0.859 20 0 DBADRM CC(=O)[C@H](C)N1CC2(CN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O ZINC001272283592 832767138 /nfs/dbraw/zinc/76/71/38/832767138.db2.gz VRPVJAAJLGJRPQ-QMMMGPOBSA-N -1 0 322.321 -0.854 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC[C@]23CCN(C2COC2)C3=O)cc1=O ZINC001272356318 832776071 /nfs/dbraw/zinc/77/60/71/832776071.db2.gz SKRQCAWJRCQPPE-OAHLLOKOSA-N -1 0 320.349 -0.268 20 0 DBADRM O=C([O-])c1ccc(CN2CC3(C2)CN(C2COC2)C(=O)CO3)o1 ZINC001272764324 832830282 /nfs/dbraw/zinc/83/02/82/832830282.db2.gz PKOWUNYQFFYJBD-UHFFFAOYSA-N -1 0 322.317 -0.210 20 0 DBADRM CN(C)C(=O)CN1CCC12CN(C(=O)c1ccncc1[O-])C2 ZINC001272765112 832831226 /nfs/dbraw/zinc/83/12/26/832831226.db2.gz FLHRMZREUOTMIQ-UHFFFAOYSA-N -1 0 304.350 -0.224 20 0 DBADRM COC(CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1)OC ZINC001159816762 832848982 /nfs/dbraw/zinc/84/89/82/832848982.db2.gz RCTGGNLSQNQVNH-UHFFFAOYSA-N -1 0 303.340 -0.198 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)Nc2nnc3[nH]cnn23)cc1=O ZINC001160387786 832897916 /nfs/dbraw/zinc/89/79/16/832897916.db2.gz YCLLMNYEVQNUSU-UHFFFAOYSA-N -1 0 304.314 -0.221 20 0 DBADRM O=C(NCCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cn[nH]n1 ZINC001160574412 832919884 /nfs/dbraw/zinc/91/98/84/832919884.db2.gz TVFGGTDTGXLVIA-UHFFFAOYSA-N -1 0 318.341 -0.419 20 0 DBADRM NC(=O)[C@@H]1CCCN1c1cc(NCC(=O)CCC(=O)[O-])ncn1 ZINC001160876138 832955895 /nfs/dbraw/zinc/95/58/95/832955895.db2.gz GXLZGGQEXBHHIQ-JTQLQIEISA-N -1 0 321.337 -0.224 20 0 DBADRM O=C(CCC(=O)N[C@@H]1SC(=O)[N-]C1=O)Nc1nncs1 ZINC001177451212 833469517 /nfs/dbraw/zinc/46/95/17/833469517.db2.gz MTRKWIJJXBGMLG-SSDOTTSWSA-N -1 0 315.336 -0.318 20 0 DBADRM CC(C)(C)C(=O)N1CCN(C(=O)Cn2nn[n-]c2=S)CC1 ZINC001177738122 833480635 /nfs/dbraw/zinc/48/06/35/833480635.db2.gz BJFRALIAOHWUCR-UHFFFAOYSA-N -1 0 312.399 -0.321 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001177738496 833480644 /nfs/dbraw/zinc/48/06/44/833480644.db2.gz DSKINRJNKKECRX-KZLJYQGOSA-N -1 0 309.273 -0.108 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NCCn1nnc2ccccc21 ZINC001177743419 833480987 /nfs/dbraw/zinc/48/09/87/833480987.db2.gz KLOVZQGXYOALSH-UHFFFAOYSA-N -1 0 304.339 -0.477 20 0 DBADRM Nc1ccc(COCCO)c(NC(=O)Cn2nn[n-]c2=S)c1 ZINC001177740946 833480998 /nfs/dbraw/zinc/48/09/98/833480998.db2.gz LVZGJWKLNKQVBP-UHFFFAOYSA-N -1 0 324.366 -0.308 20 0 DBADRM CN1C(=O)CC[C@@H]2CN(C(=O)Cn3nn[n-]c3=S)CC[C@@H]21 ZINC001177739439 833481161 /nfs/dbraw/zinc/48/11/61/833481161.db2.gz OJLHKLWFRKXJEF-BDAKNGLRSA-N -1 0 310.383 -0.569 20 0 DBADRM COC[C@H]1CN(C(=O)Cn2nn[n-]c2=S)Cc2cn(C)nc21 ZINC001177739815 833481187 /nfs/dbraw/zinc/48/11/87/833481187.db2.gz WPSXAIRHMAICFU-SECBINFHSA-N -1 0 323.382 -0.532 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CCc2nc(Cl)ncc2C1 ZINC001177739918 833481190 /nfs/dbraw/zinc/48/11/90/833481190.db2.gz YDRWNNDPVQBMKE-UHFFFAOYSA-N -1 0 311.758 -0.010 20 0 DBADRM COCC1(CNC(=O)Cn2nn[n-]c2=S)CCOCC1 ZINC001177743886 833481600 /nfs/dbraw/zinc/48/16/00/833481600.db2.gz QNVTYQKPVLBRRM-UHFFFAOYSA-N -1 0 301.372 -0.479 20 0 DBADRM COC(=O)C12CCC(NC(=O)Cn3nn[n-]c3=S)(CC1)C2 ZINC001177745837 833481608 /nfs/dbraw/zinc/48/16/08/833481608.db2.gz GMNPYCFJIOSXTN-UHFFFAOYSA-N -1 0 311.367 -0.046 20 0 DBADRM COC(=O)C[C@@H](NC(=O)Cn1nn[n-]c1=S)c1cccnc1 ZINC001177743557 833481699 /nfs/dbraw/zinc/48/16/99/833481699.db2.gz OFRCTFHAZYRFSD-SECBINFHSA-N -1 0 322.350 -0.223 20 0 DBADRM COC[C@H](NC(=O)CCCCN1CCOCC1)c1nnn[n-]1 ZINC001177829192 833483297 /nfs/dbraw/zinc/48/32/97/833483297.db2.gz WUCCLHZJARTZKS-NSHDSACASA-N -1 0 312.374 -0.494 20 0 DBADRM Nc1[nH]c(=O)[nH]c(=O)c1NC(=O)Cc1csc(NC=O)n1 ZINC001178029558 833487949 /nfs/dbraw/zinc/48/79/49/833487949.db2.gz OCFPVODXQBFKRC-UHFFFAOYSA-N -1 0 310.295 -0.324 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)C1CN(c2cnccn2)C1 ZINC001178098286 833493237 /nfs/dbraw/zinc/49/32/37/833493237.db2.gz VKEGDDOZAPRYJI-JTQLQIEISA-N -1 0 322.321 -0.565 20 0 DBADRM COCCCNC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178361854 833503260 /nfs/dbraw/zinc/50/32/60/833503260.db2.gz AXMFHYJPNQJCQA-UHFFFAOYSA-N -1 0 324.337 -0.420 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)NCC(=O)CCC(=O)[O-])CC1 ZINC001178769806 833524069 /nfs/dbraw/zinc/52/40/69/833524069.db2.gz OCABHGMTCXPAMH-UHFFFAOYSA-N -1 0 320.367 -0.792 20 0 DBADRM Cn1c2ccccc2n(CC(=O)N[C@H]2SC(=O)[N-]C2=O)c1=O ZINC001178793463 833524717 /nfs/dbraw/zinc/52/47/17/833524717.db2.gz BUEOMXUSXXGZDS-NSHDSACASA-N -1 0 320.330 -0.235 20 0 DBADRM CC(=O)N(C)CCC(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001180230024 833574625 /nfs/dbraw/zinc/57/46/25/833574625.db2.gz YTOYBPHDWLQHBI-UHFFFAOYSA-N -1 0 311.385 -0.473 20 0 DBADRM Cn1nnnc1CCCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001180376062 833582603 /nfs/dbraw/zinc/58/26/03/833582603.db2.gz IARBDUCUNVIZDY-UHFFFAOYSA-N -1 0 303.282 -0.186 20 0 DBADRM COC(=O)CC[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)C(N)=O ZINC001180440838 833585740 /nfs/dbraw/zinc/58/57/40/833585740.db2.gz VQFQADSQSZUBOA-VIFPVBQESA-N -1 0 314.338 -0.055 20 0 DBADRM CS(=O)(=O)Oc1ccc(CC(=O)NCc2nnn[n-]2)cc1 ZINC001180867949 833606836 /nfs/dbraw/zinc/60/68/36/833606836.db2.gz QWFCPTHTESGCQM-UHFFFAOYSA-N -1 0 311.323 -0.603 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@H]2CCCC[C@H]2O)C(=O)N1S(=O)(=O)[O-] ZINC001181091494 833616223 /nfs/dbraw/zinc/61/62/23/833616223.db2.gz NGDSCBGJYKIRHW-MAUMQABQSA-N -1 0 306.340 -0.944 20 0 DBADRM CO[C@H](C)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001181459961 833632181 /nfs/dbraw/zinc/63/21/81/833632181.db2.gz SIOQKUQECVMLNC-SCZZXKLOSA-N -1 0 312.326 -0.937 20 0 DBADRM C[C@H]1C(=O)OC[C@@H]1C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001182084382 833656177 /nfs/dbraw/zinc/65/61/77/833656177.db2.gz DGTIZVRZVRALAL-RITPCOANSA-N -1 0 310.353 -0.533 20 0 DBADRM C[C@@H]1C(=O)OC[C@@H]1C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001182084383 833656230 /nfs/dbraw/zinc/65/62/30/833656230.db2.gz DGTIZVRZVRALAL-WDSKDSINSA-N -1 0 310.353 -0.533 20 0 DBADRM COc1ccccc1C(=O)N1CC(C(=O)NCc2nnn[n-]2)C1 ZINC001182229572 833665703 /nfs/dbraw/zinc/66/57/03/833665703.db2.gz AWMKFZKKAVHBBZ-UHFFFAOYSA-N -1 0 316.321 -0.403 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)[C@H]1CC[C@H](CN2C(=O)C=CC2=O)CC1 ZINC001182567197 833682042 /nfs/dbraw/zinc/68/20/42/833682042.db2.gz XFAYZSLPZWYGKK-GMTAPVOTSA-N -1 0 321.333 -0.736 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)CC(=O)NCS(=O)(=O)[O-] ZINC001182695694 833686923 /nfs/dbraw/zinc/68/69/23/833686923.db2.gz MHYZBJRPHFIYIP-ZETCQYMHSA-N -1 0 312.344 -0.776 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CC(=O)OC1(C)C ZINC001182755245 833688539 /nfs/dbraw/zinc/68/85/39/833688539.db2.gz ADNSHGGWNHHBPV-YUMQZZPRSA-N -1 0 301.295 -0.149 20 0 DBADRM CN(C(=O)OC(C)(C)C)[C@@H](CO)C(=O)NCc1nnn[n-]1 ZINC001182952637 833696899 /nfs/dbraw/zinc/69/68/99/833696899.db2.gz VBAIIVPESYTIFT-ZETCQYMHSA-N -1 0 300.319 -0.956 20 0 DBADRM CN(C(=O)OC(C)(C)C)[C@@H](CO)C(=O)NCS(=O)(=O)[O-] ZINC001182952044 833696935 /nfs/dbraw/zinc/69/69/35/833696935.db2.gz KUYUZUGXKWMGBU-ZETCQYMHSA-N -1 0 312.344 -0.824 20 0 DBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)CC(F)F ZINC001182962574 833697199 /nfs/dbraw/zinc/69/71/99/833697199.db2.gz XZXDMQBSHUHCRG-UHFFFAOYSA-N -1 0 313.242 -0.996 20 0 DBADRM CCCCC(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001183272211 833712049 /nfs/dbraw/zinc/71/20/49/833712049.db2.gz XONXZPWGGCJZSL-VIFPVBQESA-N -1 0 302.327 -0.185 20 0 DBADRM O=C(CCN1C(=O)Cc2ccccc2C1=O)N[C@@H]1CO[N-]C1=O ZINC001183529677 833720065 /nfs/dbraw/zinc/72/00/65/833720065.db2.gz FOWDEMZMBUPRHF-LLVKDONJSA-N -1 0 317.301 -0.852 20 0 DBADRM C[C@]1(O)C=C[C@H](O)C(C(=O)n2[n-]c3ccnc(=O)c-3c2N)=C1 ZINC001183547774 833722040 /nfs/dbraw/zinc/72/20/40/833722040.db2.gz LOQFIPYGNCMYKP-XPTSAGLGSA-N -1 0 302.290 -0.493 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@@H]2C[C@@]23CCCOC3)C(=O)N1S(=O)(=O)[O-] ZINC001183734909 833734972 /nfs/dbraw/zinc/73/49/72/833734972.db2.gz LBZDYNQDWYMAJO-PHGLEFOZSA-N -1 0 318.351 -0.679 20 0 DBADRM CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NCc1nnn[n-]1 ZINC001183874092 833740153 /nfs/dbraw/zinc/74/01/53/833740153.db2.gz AWQPBFASCSCJKZ-QMMMGPOBSA-N -1 0 312.330 -0.948 20 0 DBADRM NC(=O)C1(NC(=O)COc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001183909098 833741149 /nfs/dbraw/zinc/74/11/49/833741149.db2.gz ATRKWZYFLPJUAF-UHFFFAOYSA-N -1 0 308.290 -0.337 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)C[C@@H](O)C(F)(F)F ZINC001184038283 833745344 /nfs/dbraw/zinc/74/53/44/833745344.db2.gz ITLZFSAPTXVJLC-NTSWFWBYSA-N -1 0 301.217 -0.178 20 0 DBADRM CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCS(=O)(=O)[O-] ZINC001184180746 833751430 /nfs/dbraw/zinc/75/14/30/833751430.db2.gz MJAPGSKVSVUERC-ZETCQYMHSA-N -1 0 312.344 -0.512 20 0 DBADRM COc1cc(CC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)ccc1O ZINC001184253860 833754419 /nfs/dbraw/zinc/75/44/19/833754419.db2.gz CQNWQTAEVJMYQL-UHFFFAOYSA-N -1 0 306.278 -0.348 20 0 DBADRM Cc1ccc(S(=O)(=O)N(C)C[C@@H](O)CO)cc1C(=O)[O-] ZINC001184674758 833766907 /nfs/dbraw/zinc/76/69/07/833766907.db2.gz UAWRLFYNDNLPJG-SECBINFHSA-N -1 0 303.336 -0.333 20 0 DBADRM NC(=O)c1nc(C[N-]S(=O)(=O)c2cnc(Cl)nc2)no1 ZINC001185063037 833779411 /nfs/dbraw/zinc/77/94/11/833779411.db2.gz KFJQJWZGDBVMOI-UHFFFAOYSA-N -1 0 318.702 -0.910 20 0 DBADRM CSc1ncc([O-])c(C(=O)NC2CN(S(C)(=O)=O)C2)n1 ZINC001185188311 833782038 /nfs/dbraw/zinc/78/20/38/833782038.db2.gz WCMFQWJJJBHVGU-UHFFFAOYSA-N -1 0 318.380 -0.722 20 0 DBADRM COc1ccc(S(=O)(=O)N(C)C[C@H](O)CO)cc1C(=O)[O-] ZINC001185283712 833789701 /nfs/dbraw/zinc/78/97/01/833789701.db2.gz VTUOZZCRZWTNNI-QMMMGPOBSA-N -1 0 319.335 -0.633 20 0 DBADRM O=C(C=C([O-])c1ccccc1Cl)NC(CO)(CO)CO ZINC001185435409 833795217 /nfs/dbraw/zinc/79/52/17/833795217.db2.gz IEUTZOZPSDLOEB-UHFFFAOYSA-N -1 0 301.726 -0.255 20 0 DBADRM CC(C)(C)OC(=O)N1CC(=O)CC[C@@H]1C(=O)NCc1nnn[n-]1 ZINC001185512871 833797423 /nfs/dbraw/zinc/79/74/23/833797423.db2.gz SEIIMLFSHLZQFI-SECBINFHSA-N -1 0 324.341 -0.216 20 0 DBADRM O=C1c2ccccc2C(=O)N1CCNS(=O)(=O)c1ncc[n-]1 ZINC001185916999 833817055 /nfs/dbraw/zinc/81/70/55/833817055.db2.gz HLQZHNXSFLZWPB-UHFFFAOYSA-N -1 0 320.330 -0.016 20 0 DBADRM CCO[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001186965380 833890394 /nfs/dbraw/zinc/89/03/94/833890394.db2.gz ICAADNKSWHBILS-GARJFASQSA-N -1 0 309.370 -0.032 20 0 DBADRM NC(=O)C1=NO[C@@H]2CN(C(=O)c3c([O-])ccc(F)c3F)C[C@H]12 ZINC001276852030 833904718 /nfs/dbraw/zinc/90/47/18/833904718.db2.gz KRFQDPIDXQESHK-YLWLKBPMSA-N -1 0 311.244 -0.018 20 0 DBADRM CCOCCS(=O)(=O)[N-]c1cc(N(C)CCO)ncn1 ZINC001187246934 833912264 /nfs/dbraw/zinc/91/22/64/833912264.db2.gz YTPGHGYHCSQXIN-UHFFFAOYSA-N -1 0 304.372 -0.317 20 0 DBADRM C[C@@H]1C[C@H]1CN1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001277133546 833928149 /nfs/dbraw/zinc/92/81/49/833928149.db2.gz DBUGUYSPEFDKLP-SFYZADRCSA-N -1 0 302.342 -0.421 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(Cc1ccoc1)C2 ZINC001277171855 833930701 /nfs/dbraw/zinc/93/07/01/833930701.db2.gz AOEGQUXKFOOPFW-UHFFFAOYSA-N -1 0 314.309 -0.284 20 0 DBADRM Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(Cc3ccoc3)C[C@H]12 ZINC001277172552 833931051 /nfs/dbraw/zinc/93/10/51/833931051.db2.gz MRYMZZPNCMMMBJ-VHSXEESVSA-N -1 0 317.309 -0.950 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1noc2c1CN(CC1CC1)CC2 ZINC001277238840 833936549 /nfs/dbraw/zinc/93/65/49/833936549.db2.gz ILDPDBZEUIQMAI-UHFFFAOYSA-N -1 0 303.326 -0.360 20 0 DBADRM CN1CCN(c2cc([N-]S(=O)(=O)c3c[nH]cn3)ncn2)CC1 ZINC001187731345 833944811 /nfs/dbraw/zinc/94/48/11/833944811.db2.gz GXFPGCUNEJOPFG-UHFFFAOYSA-N -1 0 323.382 -0.248 20 0 DBADRM CN1CCN(c2ncc([N-]S(=O)(=O)c3c[nH]cn3)cn2)CC1 ZINC001187732129 833945588 /nfs/dbraw/zinc/94/55/88/833945588.db2.gz XNNKSLZXXSJFPV-UHFFFAOYSA-N -1 0 323.382 -0.248 20 0 DBADRM CN(C)C(=O)c1nc(C[N-]S(=O)(=O)c2nccs2)no1 ZINC001187909209 833958421 /nfs/dbraw/zinc/95/84/21/833958421.db2.gz WXGYSCNDWFXYCN-UHFFFAOYSA-N -1 0 317.352 -0.294 20 0 DBADRM NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188336359 833977487 /nfs/dbraw/zinc/97/74/87/833977487.db2.gz FIYPQZLIQUASNU-MRVPVSSYSA-N -1 0 322.726 -0.837 20 0 DBADRM CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)c1ccncc1[O-])C2 ZINC001188630072 833997355 /nfs/dbraw/zinc/99/73/55/833997355.db2.gz VZOAYFXEIDIDMH-OAHLLOKOSA-N -1 0 318.333 -0.650 20 0 DBADRM O=C([N-]CCNC(=O)c1nnc[nH]1)C(F)(F)Br ZINC001188703603 834003945 /nfs/dbraw/zinc/00/39/45/834003945.db2.gz PHNKNRJWPQZTQA-UHFFFAOYSA-N -1 0 312.074 -0.362 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001188800932 834018668 /nfs/dbraw/zinc/01/86/68/834018668.db2.gz AEPQBOMHAFZCAO-KXUCPTDWSA-N -1 0 322.369 -0.946 20 0 DBADRM Nc1ncncc1C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001189114806 834047269 /nfs/dbraw/zinc/04/72/69/834047269.db2.gz YGQJWPFTWLOFMX-UHFFFAOYSA-N -1 0 319.302 -0.257 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1c[nH]c(=O)[nH]1 ZINC001189549326 834096440 /nfs/dbraw/zinc/09/64/40/834096440.db2.gz XDJHOWDRFBBHIB-UHFFFAOYSA-N -1 0 308.275 -0.200 20 0 DBADRM Cn1ccc(C(=O)Nc2[nH]c(=O)nc3[nH]c(=O)[nH]c32)cc1=O ZINC001189648004 834102162 /nfs/dbraw/zinc/10/21/62/834102162.db2.gz QANHDRTVIGVGHI-UHFFFAOYSA-N -1 0 302.250 -0.333 20 0 DBADRM O=C(c1ccccc1S(=O)(=O)[O-])N1CC[C@@H](O)[C@@H](CO)C1 ZINC001189679026 834105262 /nfs/dbraw/zinc/10/52/62/834105262.db2.gz KYJMQZBMVIWZLI-MWLCHTKSSA-N -1 0 315.347 -0.251 20 0 DBADRM O=C(N[C@H]1COCC[C@@H]1O)c1ccccc1S(=O)(=O)[O-] ZINC001189699891 834106609 /nfs/dbraw/zinc/10/66/09/834106609.db2.gz VPRDOUXATIGMSH-UWVGGRQHSA-N -1 0 301.320 -0.187 20 0 DBADRM CN1CCO[C@@H](C[N-]S(=O)(=O)c2ncc(F)cc2F)C1 ZINC001190190431 834145591 /nfs/dbraw/zinc/14/55/91/834145591.db2.gz UQGHBJYHLWXPHK-VIFPVBQESA-N -1 0 307.322 -0.031 20 0 DBADRM O=S(=O)([N-]C1CC(CO)(CO)C1)c1ncc(F)cc1F ZINC001190196885 834146473 /nfs/dbraw/zinc/14/64/73/834146473.db2.gz QLOHEHWXKQWNTJ-UHFFFAOYSA-N -1 0 308.306 -0.229 20 0 DBADRM COC(=O)C([N-]S(=O)(=O)c1ncc(F)cc1F)=C(C)O ZINC001190207419 834146706 /nfs/dbraw/zinc/14/67/06/834146706.db2.gz NKGPDTYZLQWKTQ-MRVPVSSYSA-N -1 0 308.262 -0.231 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1cnc(-c2ccccn2)nc1O ZINC001190629301 834175041 /nfs/dbraw/zinc/17/50/41/834175041.db2.gz NKLISFPWFOHNJM-SECBINFHSA-N -1 0 301.262 -0.596 20 0 DBADRM CN1CCN(c2cc([N-]S(=O)(=O)c3ncc[nH]3)ncn2)CC1 ZINC001190689943 834180483 /nfs/dbraw/zinc/18/04/83/834180483.db2.gz QXLLDWMMBILXMS-UHFFFAOYSA-N -1 0 323.382 -0.248 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001190698630 834181594 /nfs/dbraw/zinc/18/15/94/834181594.db2.gz LXGXAFBEFMBMCM-PHIMTYICSA-N -1 0 320.378 -0.043 20 0 DBADRM O=C1CN(S(=O)(=O)c2ncc[n-]2)CCN1C1CCOCC1 ZINC001190707165 834181609 /nfs/dbraw/zinc/18/16/09/834181609.db2.gz HJCVNHQIQOPVHH-UHFFFAOYSA-N -1 0 314.367 -0.578 20 0 DBADRM COC[C@@H]1c2nnn(C)c2CCN1S(=O)(=O)c1ncc[n-]1 ZINC001190699502 834181787 /nfs/dbraw/zinc/18/17/87/834181787.db2.gz VCWRJWVDCBGJPH-SECBINFHSA-N -1 0 312.355 -0.527 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001190698633 834181846 /nfs/dbraw/zinc/18/18/46/834181846.db2.gz LXGXAFBEFMBMCM-QWRGUYRKSA-N -1 0 320.378 -0.043 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001190698625 834181977 /nfs/dbraw/zinc/18/19/77/834181977.db2.gz LXGXAFBEFMBMCM-GHMZBOCLSA-N -1 0 320.378 -0.043 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CC2(C1)[C@@H](CF)CCS2(=O)=O ZINC001190714813 834183658 /nfs/dbraw/zinc/18/36/58/834183658.db2.gz PKWNMVURRGBCEQ-MRVPVSSYSA-N -1 0 323.371 -0.443 20 0 DBADRM COC(=O)[C@H]1COCCC12CN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190714449 834184044 /nfs/dbraw/zinc/18/40/44/834184044.db2.gz KWHXQUBMFUJJLU-SECBINFHSA-N -1 0 315.351 -0.390 20 0 DBADRM COc1cc(N2CCN(S(=O)(=O)c3ncc[n-]3)CC2)ncn1 ZINC001190716124 834184230 /nfs/dbraw/zinc/18/42/30/834184230.db2.gz OANNDCVDPZCYAZ-UHFFFAOYSA-N -1 0 324.366 -0.281 20 0 DBADRM O=S(=O)(N[C@H]1CCC[C@@H]1N1CCOCC1)c1ncc[n-]1 ZINC001190754700 834187195 /nfs/dbraw/zinc/18/71/95/834187195.db2.gz CXYFVQNDZARBHW-QWRGUYRKSA-N -1 0 300.384 -0.059 20 0 DBADRM CC(=O)OCN1CCC(NS(=O)(=O)c2ncc[n-]2)CC1 ZINC001190757664 834188520 /nfs/dbraw/zinc/18/85/20/834188520.db2.gz BFCRDMAONRZFJJ-UHFFFAOYSA-N -1 0 302.356 -0.327 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)c1cncc(N2CCOCC2)n1 ZINC001190775433 834190611 /nfs/dbraw/zinc/19/06/11/834190611.db2.gz LGTDPJADAGFLEV-UHFFFAOYSA-N -1 0 322.321 -0.523 20 0 DBADRM COC(=O)CNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001191035021 834215999 /nfs/dbraw/zinc/21/59/99/834215999.db2.gz BSVUKXRHSWWFRK-UHFFFAOYSA-N -1 0 322.726 -0.404 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cc(Cl)ncn2)C(=O)N1S(=O)(=O)[O-] ZINC001191456907 834255673 /nfs/dbraw/zinc/25/56/73/834255673.db2.gz NTALQNLDEBWJHD-FFWSUHOLSA-N -1 0 320.714 -0.738 20 0 DBADRM N=C(NC(=O)c1cn[nH]c(=O)c1)SCCS(=O)(=O)[O-] ZINC001191575792 834267857 /nfs/dbraw/zinc/26/78/57/834267857.db2.gz HTHDXNRWEMTAGI-UHFFFAOYSA-N -1 0 306.325 -0.532 20 0 DBADRM CN(C[C@H](O)CO)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192116668 834332043 /nfs/dbraw/zinc/33/20/43/834332043.db2.gz APDCUWRFESGTSS-NSHDSACASA-N -1 0 317.363 -0.323 20 0 DBADRM O=C([O-])CCc1ccc(S(=O)(=O)N[C@@H]2CCNC2=O)cc1 ZINC001192149975 834334540 /nfs/dbraw/zinc/33/45/40/834334540.db2.gz IAORSOXRFUEQDL-LLVKDONJSA-N -1 0 312.347 -0.129 20 0 DBADRM O=S(=O)([O-])CCCCN1CCN(Cc2nc[nH]n2)CC1 ZINC001237612704 834343826 /nfs/dbraw/zinc/34/38/26/834343826.db2.gz YIXDAYQMIRVGNZ-UHFFFAOYSA-N -1 0 303.388 -0.410 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CCOCC3CC3)C[C@H]2O)c1[O-] ZINC001192258246 834346763 /nfs/dbraw/zinc/34/67/63/834346763.db2.gz RTRMFCJTDQNGDO-VXGBXAGGSA-N -1 0 324.381 -0.375 20 0 DBADRM COC(=O)c1ccc([O-])c(C(=O)N2CC[C@H](O)[C@@H](CO)C2)c1 ZINC001192386160 834367539 /nfs/dbraw/zinc/36/75/39/834367539.db2.gz DHYTWGMLHYZJOQ-PWSUYJOCSA-N -1 0 309.318 -0.006 20 0 DBADRM COC(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](CO)[C@H](O)C2)c1 ZINC001192390623 834368700 /nfs/dbraw/zinc/36/87/00/834368700.db2.gz WGRUULBSIKACMX-GXFFZTMASA-N -1 0 309.318 -0.006 20 0 DBADRM COC(=O)c1ccc([O-])c(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c1 ZINC001192390624 834369916 /nfs/dbraw/zinc/36/99/16/834369916.db2.gz WGRUULBSIKACMX-MFKMUULPSA-N -1 0 309.318 -0.006 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001192471101 834385012 /nfs/dbraw/zinc/38/50/12/834385012.db2.gz BGOQBJDBQHDUFG-QWRGUYRKSA-N -1 0 324.385 -0.542 20 0 DBADRM O=C(Nc1ccc(N2C(=O)C=CC2=O)cc1)N[C@@H]1CO[N-]C1=O ZINC001192613914 834404551 /nfs/dbraw/zinc/40/45/51/834404551.db2.gz XEJBWWZPKOYRMG-SNVBAGLBSA-N -1 0 316.273 -0.333 20 0 DBADRM CCOc1ccc(S(=O)(=O)N[C@H]2COC2=O)cc1C(=O)[O-] ZINC001192665112 834409326 /nfs/dbraw/zinc/40/93/26/834409326.db2.gz XINVUBYEWCZVPS-VIFPVBQESA-N -1 0 315.303 -0.013 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)NC2(CO)COC2)cc1 ZINC001192739957 834416453 /nfs/dbraw/zinc/41/64/53/834416453.db2.gz DGXKQWXQKPAWQI-UHFFFAOYSA-N -1 0 317.319 -0.810 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)NCC2OCCO2)cc1 ZINC001192741208 834416582 /nfs/dbraw/zinc/41/65/82/834416582.db2.gz WMIKTWGOUKTHPY-UHFFFAOYSA-N -1 0 317.319 -0.199 20 0 DBADRM CN(C)C(=O)CC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001192758567 834418976 /nfs/dbraw/zinc/41/89/76/834418976.db2.gz KQAXYLVXHMKTGR-SECBINFHSA-N -1 0 310.358 -0.979 20 0 DBADRM O=C(c1ccc(F)c(F)c1[O-])N1CC(N2CCNC(=O)C2)C1 ZINC001192807765 834424627 /nfs/dbraw/zinc/42/46/27/834424627.db2.gz XQJTUPKKKYJGEW-UHFFFAOYSA-N -1 0 311.288 -0.073 20 0 DBADRM O=C(c1ccc([O-])c(F)c1F)N1CC(N2CCNC(=O)C2)C1 ZINC001192833281 834428228 /nfs/dbraw/zinc/42/82/28/834428228.db2.gz PRJXJRRZLKVRKP-UHFFFAOYSA-N -1 0 311.288 -0.073 20 0 DBADRM O=C1CO[C@@H](CNS(=O)(=O)c2cnccc2Cl)CN1 ZINC001192912770 834441554 /nfs/dbraw/zinc/44/15/54/834441554.db2.gz KVIICHRVTCDTPT-SSDOTTSWSA-N -1 0 305.743 -0.472 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cnn(C)c1C(N)=O ZINC001193013750 834453335 /nfs/dbraw/zinc/45/33/35/834453335.db2.gz VQGMJMYMFFLCOF-UHFFFAOYSA-N -1 0 318.355 -0.398 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1c(C(N)=O)cnn1C ZINC001193013772 834453617 /nfs/dbraw/zinc/45/36/17/834453617.db2.gz WKWWSUPOMHYUMN-UHFFFAOYSA-N -1 0 318.355 -0.398 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cnc(C)[nH]c1=O ZINC001193091289 834461749 /nfs/dbraw/zinc/46/17/49/834461749.db2.gz BNTAFXYAOWLISI-QMMMGPOBSA-N -1 0 303.340 -0.355 20 0 DBADRM C[S@@](=O)CCCCNC(=S)NCC[P@@](=O)([O-])O ZINC001246982001 834465278 /nfs/dbraw/zinc/46/52/78/834465278.db2.gz XNDWAJHXVPTJGK-QGZVFWFLSA-N -1 0 302.358 -0.213 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N-]S(=O)(=O)C(F)F ZINC001248719309 834475186 /nfs/dbraw/zinc/47/51/86/834475186.db2.gz PRARXOUZBHAOHV-RNFRBKRXSA-N -1 0 324.305 -0.170 20 0 DBADRM CCC(C)(C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001193279915 834479926 /nfs/dbraw/zinc/47/99/26/834479926.db2.gz RJEWOHCSCOZZSV-NXEZZACHSA-N -1 0 311.386 -0.002 20 0 DBADRM Cn1[n-]nnc1=NCC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001250926685 834481425 /nfs/dbraw/zinc/48/14/25/834481425.db2.gz XJUJPFBKXJGLRS-UHFFFAOYSA-N -1 0 312.374 -0.194 20 0 DBADRM CC(=O)C(=O)Oc1ccccc1C(=O)NCS(=O)(=O)[O-] ZINC001193409184 834493474 /nfs/dbraw/zinc/49/34/74/834493474.db2.gz IPUUWPCAEMVSNU-UHFFFAOYSA-N -1 0 301.276 -0.244 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC1(C2(O)CCOCC2)CC1 ZINC001251166226 834495748 /nfs/dbraw/zinc/49/57/48/834495748.db2.gz ATDHASHIYJJCGX-UHFFFAOYSA-N -1 0 301.343 -0.715 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@H](O)COc1ccc(F)cc1 ZINC001251349839 834498173 /nfs/dbraw/zinc/49/81/73/834498173.db2.gz IXNIMNBXKFOEPP-JTQLQIEISA-N -1 0 315.301 -0.458 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC([C@H]2COC(=O)N2)CC1 ZINC001251350053 834498287 /nfs/dbraw/zinc/49/82/87/834498287.db2.gz LZBLPPNWZLHGLT-SECBINFHSA-N -1 0 300.315 -0.806 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@H](CO)CC1CCOCC1 ZINC001251350055 834498363 /nfs/dbraw/zinc/49/83/63/834498363.db2.gz LZGBBZIOMQTQSN-LLVKDONJSA-N -1 0 303.359 -0.612 20 0 DBADRM Cn1ccnc1S(=O)(=O)[N-]c1cnc(N2CCOCC2)nc1 ZINC001193556186 834507469 /nfs/dbraw/zinc/50/74/69/834507469.db2.gz AZXFRQRAJSZDEC-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1nccc(OC)c1O ZINC001193543289 834508288 /nfs/dbraw/zinc/50/82/88/834508288.db2.gz RZILMGDHYGVYIQ-ZETCQYMHSA-N -1 0 312.278 -0.068 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC001251995641 834515243 /nfs/dbraw/zinc/51/52/43/834515243.db2.gz MSZLJPNOWAEVJJ-UHFFFAOYSA-N -1 0 312.293 -0.360 20 0 DBADRM CCOC[C@@H](O)CNc1ccc(S(=O)(=O)[N-]C(N)=O)cc1 ZINC001252041135 834518310 /nfs/dbraw/zinc/51/83/10/834518310.db2.gz QLZSUJFXWKFEIW-JTQLQIEISA-N -1 0 317.367 -0.147 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)c1ccc(-n2cncn2)nc1 ZINC001193699896 834523708 /nfs/dbraw/zinc/52/37/08/834523708.db2.gz ANBHJXLVWKTOCN-UHFFFAOYSA-N -1 0 303.278 -0.174 20 0 DBADRM COC(=O)[C@@H](Cc1cncn1C)[N-]S(=O)(=O)C(F)(F)F ZINC001252389510 834528227 /nfs/dbraw/zinc/52/82/27/834528227.db2.gz CPOOALIRXYKUSY-SSDOTTSWSA-N -1 0 315.273 -0.057 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1ncn(-c2cccc(F)c2)n1 ZINC001193761730 834529981 /nfs/dbraw/zinc/52/99/81/834529981.db2.gz RGIMEZYKVLOOHF-UHFFFAOYSA-N -1 0 300.271 -0.019 20 0 DBADRM O=S(=O)([O-])CNC[C@@H](O)COc1ccc(CCO)cc1 ZINC001253163068 834562469 /nfs/dbraw/zinc/56/24/69/834562469.db2.gz NCFGBXOZZTXSQO-LLVKDONJSA-N -1 0 305.352 -0.604 20 0 DBADRM COC(=O)CC[C@H]([N-]S(=O)(=O)CC(F)(F)F)C(N)=O ZINC001253245551 834566261 /nfs/dbraw/zinc/56/62/61/834566261.db2.gz MMRQIMIONWIKDX-YFKPBYRVSA-N -1 0 306.262 -0.725 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)CC(F)(F)F ZINC001253228615 834566283 /nfs/dbraw/zinc/56/62/83/834566283.db2.gz IUPNBDNHVBBSTM-WDSKDSINSA-N -1 0 320.289 -0.466 20 0 DBADRM CS(=O)(=O)c1cncc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)c1 ZINC001194132276 834570156 /nfs/dbraw/zinc/57/01/56/834570156.db2.gz UTSJYTUPWVRYDB-SECBINFHSA-N -1 0 315.332 -0.476 20 0 DBADRM CS(=O)(=O)c1cncc(C(=O)N[C@H]2SC(=O)[N-]C2=O)c1 ZINC001194132277 834570189 /nfs/dbraw/zinc/57/01/89/834570189.db2.gz UTSJYTUPWVRYDB-VIFPVBQESA-N -1 0 315.332 -0.476 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC3(CC2)CC(=O)NC(=O)C3)cc1=O ZINC001194199920 834575725 /nfs/dbraw/zinc/57/57/25/834575725.db2.gz KGUDZRSOBCMNLC-UHFFFAOYSA-N -1 0 306.322 -0.215 20 0 DBADRM CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(=O)n(C)[n-]1 ZINC001194200135 834576342 /nfs/dbraw/zinc/57/63/42/834576342.db2.gz KZTGHHZECBPYRK-SECBINFHSA-N -1 0 310.310 -0.981 20 0 DBADRM COC(=O)c1cn(CCOCCOCCOCC(=O)[O-])nn1 ZINC001254083603 834586482 /nfs/dbraw/zinc/58/64/82/834586482.db2.gz JYPNSDKPHOAHMO-UHFFFAOYSA-N -1 0 317.298 -0.801 20 0 DBADRM O=C([O-])CCCn1cc(CN2CCS(=O)(=O)CC2)nn1 ZINC001254086846 834586538 /nfs/dbraw/zinc/58/65/38/834586538.db2.gz ZNNDNPQNIWUDED-UHFFFAOYSA-N -1 0 302.356 -0.627 20 0 DBADRM COC(=O)Cc1cn(CCOCCOCCC(=O)[O-])nn1 ZINC001254089413 834586787 /nfs/dbraw/zinc/58/67/87/834586787.db2.gz ZIVSFNVANOCCCE-UHFFFAOYSA-N -1 0 301.299 -0.499 20 0 DBADRM COC(=O)c1cn(CCc2cn(CCCC(=O)[O-])nn2)nn1 ZINC001254086087 834587123 /nfs/dbraw/zinc/58/71/23/834587123.db2.gz GGJLFJBHWKBXFC-UHFFFAOYSA-N -1 0 308.298 -0.236 20 0 DBADRM CCOc1c(C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC)cnn1C ZINC001194379333 834594220 /nfs/dbraw/zinc/59/42/20/834594220.db2.gz ZTTPUMZRYJIYPI-VIFPVBQESA-N -1 0 313.310 -0.045 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)NCS(=O)(=O)[O-])ccc1F ZINC001194389514 834595194 /nfs/dbraw/zinc/59/51/94/834595194.db2.gz FSKFVEDCJQYBNV-UHFFFAOYSA-N -1 0 311.312 -0.196 20 0 DBADRM Cn1nc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1Br ZINC001194441312 834597963 /nfs/dbraw/zinc/59/79/63/834597963.db2.gz NGCJMOQUPBFMQO-UHFFFAOYSA-N -1 0 301.104 -0.064 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC001255994978 834617321 /nfs/dbraw/zinc/61/73/21/834617321.db2.gz ODENRQBETWKURJ-NEPJUHHUSA-N -1 0 311.338 -0.552 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC001255994981 834617466 /nfs/dbraw/zinc/61/74/66/834617466.db2.gz ODENRQBETWKURJ-VXGBXAGGSA-N -1 0 311.338 -0.552 20 0 DBADRM COCCOc1cncc(C(=O)[N-]S(=O)(=O)N(C)C)c1 ZINC001256692541 834633639 /nfs/dbraw/zinc/63/36/39/834633639.db2.gz RDNNUKGXHAXLDK-UHFFFAOYSA-N -1 0 303.340 -0.357 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2COC2=O)c(F)cc1F ZINC001195258494 834668512 /nfs/dbraw/zinc/66/85/12/834668512.db2.gz NYXKUYPSHFUNAR-ZETCQYMHSA-N -1 0 307.230 -0.133 20 0 DBADRM CCC(=O)NCC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001195349473 834677788 /nfs/dbraw/zinc/67/77/88/834677788.db2.gz YMEHRHTYHSFAOH-UHFFFAOYSA-N -1 0 310.358 -0.929 20 0 DBADRM NC(=O)c1ccncc1C(=O)NCCCC[P@@](=O)([O-])O ZINC001195440708 834687132 /nfs/dbraw/zinc/68/71/32/834687132.db2.gz JOKSFCUBDWZJID-UHFFFAOYSA-N -1 0 301.239 -0.132 20 0 DBADRM NC(=O)c1nc(C[N-]S(=O)(=O)c2cc(F)ccc2F)no1 ZINC001258949744 834688990 /nfs/dbraw/zinc/68/89/90/834688990.db2.gz PUSQZLACSZYDIM-UHFFFAOYSA-N -1 0 318.261 -0.075 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]c2ncnc3c2ncn3CCO)c1 ZINC001258992796 834690143 /nfs/dbraw/zinc/69/01/43/834690143.db2.gz DCZXEFGCTBKOTA-UHFFFAOYSA-N -1 0 323.338 -0.647 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]c2cnc(OC3COC3)nc2)c1 ZINC001258992889 834690173 /nfs/dbraw/zinc/69/01/73/834690173.db2.gz HAAHDYLCWMAFPF-UHFFFAOYSA-N -1 0 311.323 -0.212 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)c1cn(C)cn1)C(F)(F)F ZINC001259003087 834691302 /nfs/dbraw/zinc/69/13/02/834691302.db2.gz LNLZEONRLLBGRK-LURJTMIESA-N -1 0 301.246 -0.198 20 0 DBADRM COC(=O)c1sccc1S(=O)(=O)[N-]c1nnnn1C ZINC001259004551 834692385 /nfs/dbraw/zinc/69/23/85/834692385.db2.gz PCVUZKBOSCHMND-UHFFFAOYSA-N -1 0 303.325 -0.141 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1[nH]c(=S)[nH]c(=O)c1N=O ZINC001259018966 834693075 /nfs/dbraw/zinc/69/30/75/834693075.db2.gz MUOUKBAAGSADTC-UHFFFAOYSA-N -1 0 308.297 -0.217 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cc2n(n1)CC1(CC1)CO2 ZINC001259018883 834693213 /nfs/dbraw/zinc/69/32/13/834693213.db2.gz XXTYFUFIFILCFP-UHFFFAOYSA-N -1 0 301.324 -0.030 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1nc(N(C)C)[nH]c(=O)c1N=O ZINC001259019246 834693390 /nfs/dbraw/zinc/69/33/90/834693390.db2.gz YSKXHGBEDSQKNR-UHFFFAOYSA-N -1 0 319.299 -0.439 20 0 DBADRM CCOC(=O)C1=C([N-]S(=O)(=O)CC(=O)OC)[C@@H](C)OC1 ZINC001259030329 834696471 /nfs/dbraw/zinc/69/64/71/834696471.db2.gz UVWQBSMARKDNJG-SSDOTTSWSA-N -1 0 307.324 -0.685 20 0 DBADRM CCOC(=O)C1([N-]S(=O)(=O)CC(=O)OC)CCOCC1 ZINC001259028931 834696541 /nfs/dbraw/zinc/69/65/41/834696541.db2.gz XOWWEZQUGFRUIU-UHFFFAOYSA-N -1 0 309.340 -0.809 20 0 DBADRM COC(=O)CS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccccn1 ZINC001259029638 834696730 /nfs/dbraw/zinc/69/67/30/834696730.db2.gz ZYXQUYRFHVZAMJ-SNVBAGLBSA-N -1 0 302.308 -0.612 20 0 DBADRM CCOC(=O)[C@H]([N-]S(=O)(=O)CC(=O)OC)c1cccnc1 ZINC001259032488 834697820 /nfs/dbraw/zinc/69/78/20/834697820.db2.gz FTUKDMAICCCUOE-LLVKDONJSA-N -1 0 316.335 -0.222 20 0 DBADRM CCc1oc(C(=O)OC)cc1S(=O)(=O)NCC(=O)[N-]OC ZINC001195565550 834700158 /nfs/dbraw/zinc/70/01/58/834700158.db2.gz KUGZACYAJLGYIW-UHFFFAOYSA-N -1 0 320.323 -0.416 20 0 DBADRM NC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259212310 834700870 /nfs/dbraw/zinc/70/08/70/834700870.db2.gz LNJLVBYTBYIDQM-UHFFFAOYSA-N -1 0 310.690 -0.059 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1c2c(nn1C)CCCC2 ZINC001195568888 834701549 /nfs/dbraw/zinc/70/15/49/834701549.db2.gz YIGXCNZARHJGFP-UHFFFAOYSA-N -1 0 302.356 -0.745 20 0 DBADRM CCc1c([N-]S(=O)(=O)c2cnn(C)c2)c(C(N)=O)nn1C ZINC001259821522 834708129 /nfs/dbraw/zinc/70/81/29/834708129.db2.gz DOFOXOQSSDLZAW-UHFFFAOYSA-N -1 0 312.355 -0.384 20 0 DBADRM CN(CCO)c1cc([N-]S(=O)(=O)C2CCOCC2)ncn1 ZINC001259908527 834712173 /nfs/dbraw/zinc/71/21/73/834712173.db2.gz SRIKOEJDBVOVIH-UHFFFAOYSA-N -1 0 316.383 -0.174 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)C1CCOCC1 ZINC001259917883 834713630 /nfs/dbraw/zinc/71/36/30/834713630.db2.gz PVOUAPAAELDANS-VIFPVBQESA-N -1 0 309.340 -0.509 20 0 DBADRM COCCS(=O)(=O)[N-]c1cc(N2CCOCC2)ncn1 ZINC001259965607 834718217 /nfs/dbraw/zinc/71/82/17/834718217.db2.gz CHWJDHRFPRNCQP-UHFFFAOYSA-N -1 0 302.356 -0.299 20 0 DBADRM CCC[C@H]([N-]S(=O)(=O)C(F)F)[C@@H](O)C(=O)NC1CC1 ZINC001259961722 834718305 /nfs/dbraw/zinc/71/83/05/834718305.db2.gz RMCGJDSSENRBGJ-JGVFFNPUSA-N -1 0 300.327 -0.063 20 0 DBADRM COCCS(=O)(=O)[N-]c1ncnc2c1ncn2CCO ZINC001259965710 834718665 /nfs/dbraw/zinc/71/86/65/834718665.db2.gz IMCZUNAKXCHJSD-UHFFFAOYSA-N -1 0 301.328 -0.793 20 0 DBADRM COC(=O)c1scc(S(C)(=O)=O)c1[N-]S(N)(=O)=O ZINC001260074330 834721119 /nfs/dbraw/zinc/72/11/19/834721119.db2.gz HOWYEGYTDHEVMH-UHFFFAOYSA-N -1 0 314.366 -0.446 20 0 DBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NS(N)(=O)=O)cc1 ZINC001260081128 834725038 /nfs/dbraw/zinc/72/50/38/834725038.db2.gz QBRJWPNUUKBWGM-UHFFFAOYSA-N -1 0 309.325 -0.653 20 0 DBADRM O=S(=O)([N-]c1nnco1)c1nc2nc(Cl)ccn2n1 ZINC001260166370 834728080 /nfs/dbraw/zinc/72/80/80/834728080.db2.gz VRJHLXXSAFZCHZ-UHFFFAOYSA-N -1 0 301.675 -0.039 20 0 DBADRM O=S(=O)([N-]C1CC(O)C1)c1nc2nc(Cl)ccn2n1 ZINC001260167122 834729278 /nfs/dbraw/zinc/72/92/78/834729278.db2.gz ROLRHDGLVFHPLG-UHFFFAOYSA-N -1 0 303.731 -0.421 20 0 DBADRM O=S(=O)([N-]C[C@@H](O)C1CC1)c1nc2nc(Cl)ccn2n1 ZINC001260180985 834729980 /nfs/dbraw/zinc/72/99/80/834729980.db2.gz FSSTVSCIJWULQM-SSDOTTSWSA-N -1 0 317.758 -0.173 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2CC[C@H](CO)[C@H](O)C2)c1 ZINC001260184999 834730273 /nfs/dbraw/zinc/73/02/73/834730273.db2.gz MKQAZOIKTLMCFW-ZYHUDNBSSA-N -1 0 315.347 -0.251 20 0 DBADRM O=S(=O)([N-]C[C@H]1C[C@@H](O)C1)c1nc2nc(Cl)ccn2n1 ZINC001260178546 834730611 /nfs/dbraw/zinc/73/06/11/834730611.db2.gz GWYZWBXGACZCCI-KNVOCYPGSA-N -1 0 317.758 -0.173 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCS(=O)(=O)[O-])cc1 ZINC001260241357 834731425 /nfs/dbraw/zinc/73/14/25/834731425.db2.gz GARSCHDZWSMRKR-UHFFFAOYSA-N -1 0 309.321 -0.403 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)NC[C@@H]2CNC(=O)O2)c1 ZINC001260220655 834731531 /nfs/dbraw/zinc/73/15/31/834731531.db2.gz FVQOAZACKRYBHH-ZETCQYMHSA-N -1 0 318.282 -0.089 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H](O)[C@@H](F)C2)ccc1O ZINC001260393739 834732434 /nfs/dbraw/zinc/73/24/34/834732434.db2.gz DDLWQEMZZNCCAA-WCBMZHEXSA-N -1 0 305.283 -0.206 20 0 DBADRM COC(=O)C1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1 ZINC001260394946 834732532 /nfs/dbraw/zinc/73/25/32/834732532.db2.gz XWCCVFOAPXGOHY-UHFFFAOYSA-N -1 0 315.303 -0.116 20 0 DBADRM CN(C[C@H](O)CO)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260394335 834732720 /nfs/dbraw/zinc/73/27/20/834732720.db2.gz AOVRZRUPFLWTJM-ZETCQYMHSA-N -1 0 305.308 -0.936 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCNC(=O)C2)ccc1O ZINC001260402204 834733244 /nfs/dbraw/zinc/73/32/44/834733244.db2.gz YYTLVRWIPCMCFD-SSDOTTSWSA-N -1 0 314.319 -0.353 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC(=O)CCO)ccc1O ZINC001260403003 834733276 /nfs/dbraw/zinc/73/32/76/834733276.db2.gz BKQUQAPJHRGYFD-UHFFFAOYSA-N -1 0 303.292 -0.680 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC2OCCO2)ccc1O ZINC001260401389 834733534 /nfs/dbraw/zinc/73/35/34/834733534.db2.gz LPZBADPFKQNOPY-UHFFFAOYSA-N -1 0 303.292 -0.258 20 0 DBADRM Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260435508 834733594 /nfs/dbraw/zinc/73/35/94/834733594.db2.gz DFQZTXBWGHTLAW-UHFFFAOYSA-N -1 0 322.306 -0.144 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1cn(C)c(C)n1 ZINC001260550683 834735639 /nfs/dbraw/zinc/73/56/39/834735639.db2.gz SOMBKSDIVQYRBB-QMMMGPOBSA-N -1 0 319.339 -0.587 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1c(C(N)=O)c(C)nn1C ZINC001195933862 834736867 /nfs/dbraw/zinc/73/68/67/834736867.db2.gz HWQTUVMAXSSZHR-UHFFFAOYSA-N -1 0 304.328 -0.868 20 0 DBADRM COC(=O)c1cccnc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260584181 834736921 /nfs/dbraw/zinc/73/69/21/834736921.db2.gz VWSJADSBRCBOCL-UHFFFAOYSA-N -1 0 308.337 -0.388 20 0 DBADRM CCN(C)c1ncc([N-]S(=O)(=O)CS(C)(=O)=O)cn1 ZINC001260585192 834737259 /nfs/dbraw/zinc/73/72/59/834737259.db2.gz RXNIVLUFOYYYMA-UHFFFAOYSA-N -1 0 308.385 -0.324 20 0 DBADRM CCn1cnc2c1ncnc2[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260584533 834737349 /nfs/dbraw/zinc/73/73/49/834737349.db2.gz LCMMELZRIVEGOA-UHFFFAOYSA-N -1 0 319.368 -0.410 20 0 DBADRM COCCOc1cc([N-]S(=O)(=O)CS(C)(=O)=O)ccn1 ZINC001260585949 834737485 /nfs/dbraw/zinc/73/74/85/834737485.db2.gz LCSVTDQTSPGBLE-UHFFFAOYSA-N -1 0 324.380 -0.149 20 0 DBADRM COC(=O)c1cc([N-]S(=O)(=O)CS(C)(=O)=O)cn1C ZINC001260584776 834737693 /nfs/dbraw/zinc/73/76/93/834737693.db2.gz XALIOPPNPBLSCW-UHFFFAOYSA-N -1 0 310.353 -0.445 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1cnc2c(c1)CC(=O)N2 ZINC001260584555 834737766 /nfs/dbraw/zinc/73/77/66/834737766.db2.gz MIEBLPBCLLHCGY-UHFFFAOYSA-N -1 0 305.337 -0.680 20 0 DBADRM CCOC(=O)c1cc([N-]S(=O)(=O)CS(C)(=O)=O)on1 ZINC001260585213 834737852 /nfs/dbraw/zinc/73/78/52/834737852.db2.gz STBYGPSFXBSBSS-UHFFFAOYSA-N -1 0 312.325 -0.405 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1cccc2c1CNC2=O ZINC001260591113 834740273 /nfs/dbraw/zinc/74/02/73/834740273.db2.gz MOXCQWGRXLFVFZ-UHFFFAOYSA-N -1 0 304.349 -0.326 20 0 DBADRM CCOC(=O)[C@@H](NS(=O)(=O)CS(C)(=O)=O)[C@@H](C)CC ZINC001260594634 834741648 /nfs/dbraw/zinc/74/16/48/834741648.db2.gz FQEPLWHFVPMWBF-IUCAKERBSA-N -1 0 315.413 -0.114 20 0 DBADRM CONC(=O)c1ccccc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260593703 834741971 /nfs/dbraw/zinc/74/19/71/834741971.db2.gz ZJUPDTAJXIBWEH-UHFFFAOYSA-N -1 0 322.364 -0.278 20 0 DBADRM Cn1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)nn1 ZINC001260611939 834743544 /nfs/dbraw/zinc/74/35/44/834743544.db2.gz JLNNWCUOFKJKOS-UHFFFAOYSA-N -1 0 322.306 -0.030 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C1=C(C(=O)OCC)CO[C@H]1C ZINC001195991609 834744744 /nfs/dbraw/zinc/74/47/44/834744744.db2.gz ICEKVZQBYJFPCY-QMMMGPOBSA-N -1 0 321.351 -0.295 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-][C@H](C(=O)OC)C(F)(F)F ZINC001195995471 834745481 /nfs/dbraw/zinc/74/54/81/834745481.db2.gz VJOKORXDBNWOEL-ZCFIWIBFSA-N -1 0 307.246 -0.427 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NC2(CO)COC2)s1 ZINC001260709140 834745836 /nfs/dbraw/zinc/74/58/36/834745836.db2.gz XCLGRGBVGJPQES-UHFFFAOYSA-N -1 0 307.353 -0.859 20 0 DBADRM C=CC(=O)NCCNS(=O)(=O)c1cnc(NC(C)=O)s1 ZINC001260709369 834745904 /nfs/dbraw/zinc/74/59/04/834745904.db2.gz HKVPYWKQUFDJJA-UHFFFAOYSA-N -1 0 318.380 -0.318 20 0 DBADRM CCCc1nn(C)c(C(N)=O)c1[N-]S(=O)(=O)c1cn[nH]c1 ZINC001260954365 834746884 /nfs/dbraw/zinc/74/68/84/834746884.db2.gz PBEDPZFBCFEMHJ-UHFFFAOYSA-N -1 0 312.355 -0.005 20 0 DBADRM CN1CCN(c2cc([N-]S(=O)(=O)c3cn[nH]c3)ncn2)CC1 ZINC001260954162 834746925 /nfs/dbraw/zinc/74/69/25/834746925.db2.gz IQLMOUDJJKQSLU-UHFFFAOYSA-N -1 0 323.382 -0.248 20 0 DBADRM O=S(=O)([N-]c1ncnc2c1ncn2CCO)c1cn[nH]c1 ZINC001260954170 834747124 /nfs/dbraw/zinc/74/71/24/834747124.db2.gz JEEKEAHCSBDHIV-UHFFFAOYSA-N -1 0 309.311 -0.658 20 0 DBADRM N=C(NC(=O)c1ccnc(CO)c1)SCCS(=O)(=O)[O-] ZINC001196240792 834771240 /nfs/dbraw/zinc/77/12/40/834771240.db2.gz PRJOLXKBUXBRGN-UHFFFAOYSA-N -1 0 319.364 -0.141 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C(C)(F)F ZINC001196260049 834772854 /nfs/dbraw/zinc/77/28/54/834772854.db2.gz MOGJBAGEVOFHDS-XLPZGREQSA-N -1 0 319.312 -0.537 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1snnc1CO ZINC001196363184 834781353 /nfs/dbraw/zinc/78/13/53/834781353.db2.gz BJFPHPUARZHFAB-YFKPBYRVSA-N -1 0 303.296 -0.833 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)c2cc(Cl)ncc2[O-])C1 ZINC001196396237 834783482 /nfs/dbraw/zinc/78/34/82/834783482.db2.gz RDHRUZCKAOHPFD-UHFFFAOYSA-N -1 0 305.743 -0.186 20 0 DBADRM COc1ncncc1C(=O)Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21 ZINC001196544682 834791515 /nfs/dbraw/zinc/79/15/15/834791515.db2.gz NKAKRXLRUAXUHC-UHFFFAOYSA-N -1 0 303.238 -0.233 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1ncc2c(n1)CCOC2 ZINC001261510773 834795457 /nfs/dbraw/zinc/79/54/57/834795457.db2.gz LDKRAIPSBPQFJE-UHFFFAOYSA-N -1 0 309.326 -0.584 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C(=O)NC)cc1 ZINC001261514773 834797685 /nfs/dbraw/zinc/79/76/85/834797685.db2.gz MCUJYRVATWXBIK-UHFFFAOYSA-N -1 0 322.321 -0.831 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC(Cn2cnnc2)CC1 ZINC001261523098 834798960 /nfs/dbraw/zinc/79/89/60/834798960.db2.gz NKACFUNIHXDVJQ-UHFFFAOYSA-N -1 0 323.353 -0.550 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNC(=O)c1cc(Cl)ccn1 ZINC001261526918 834800020 /nfs/dbraw/zinc/80/00/20/834800020.db2.gz AKFCDVCCHFKYPR-UHFFFAOYSA-N -1 0 314.729 -0.351 20 0 DBADRM NC(=O)C1(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CC1 ZINC001261531160 834801234 /nfs/dbraw/zinc/80/12/34/834801234.db2.gz XZJOJKNQEQFOHJ-SECBINFHSA-N -1 0 323.349 -0.824 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001261536871 834803261 /nfs/dbraw/zinc/80/32/61/834803261.db2.gz BYMXPRWLZVUQDF-GHMZBOCLSA-N -1 0 315.370 -0.510 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001261630170 834820700 /nfs/dbraw/zinc/82/07/00/834820700.db2.gz CXENASSSKVNUPJ-UHFFFAOYSA-N -1 0 308.294 -0.687 20 0 DBADRM Cn1nccc1CCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001261628265 834820728 /nfs/dbraw/zinc/82/07/28/834820728.db2.gz UMAZXQNXWCOPSV-UHFFFAOYSA-N -1 0 322.365 -0.208 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccn(C)c2=O)CC[C@H]1C(=O)[O-] ZINC001261810291 834852510 /nfs/dbraw/zinc/85/25/10/834852510.db2.gz XNBWYMVFGLIDCN-VHSXEESVSA-N -1 0 321.333 -0.107 20 0 DBADRM O=C(/C=C/COC1CCOCC1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC001261880720 834870685 /nfs/dbraw/zinc/87/06/85/834870685.db2.gz MLRJVNOHTADSSW-ISUDXETCSA-N -1 0 319.379 -0.027 20 0 DBADRM COCCn1cc(C(=O)n2[n-]c3ccnc(=O)c-3c2N)cn1 ZINC001197481146 834872683 /nfs/dbraw/zinc/87/26/83/834872683.db2.gz FGWYHZIBYMXRNG-UHFFFAOYSA-N -1 0 302.294 -0.210 20 0 DBADRM COCCn1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC)cn1 ZINC001197483125 834872938 /nfs/dbraw/zinc/87/29/38/834872938.db2.gz XNRCWVBOMZNPAA-JTQLQIEISA-N -1 0 313.310 -0.334 20 0 DBADRM COCCn1cc(C(=O)NCC(=O)CCC(=O)[O-])cnc1=O ZINC001197713004 834896316 /nfs/dbraw/zinc/89/63/16/834896316.db2.gz SCIVPGXLWKMFRY-UHFFFAOYSA-N -1 0 311.294 -0.947 20 0 DBADRM O=C(NCCCc1c[nH][nH]c1=O)c1cnc(=O)n(CC2CC2)c1 ZINC001197774263 834903227 /nfs/dbraw/zinc/90/32/27/834903227.db2.gz GWDDWDBKTKDMNQ-NSHDSACASA-N -1 0 317.349 -0.105 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CC(F)F)C1CCC1 ZINC001262137793 834909759 /nfs/dbraw/zinc/90/97/59/834909759.db2.gz FSOOYOBOTDZLMX-UHFFFAOYSA-N -1 0 307.297 -0.184 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001262463902 834942581 /nfs/dbraw/zinc/94/25/81/834942581.db2.gz YLNNPIPHHCGCDV-MNOVXSKESA-N -1 0 310.358 -0.396 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)c1cnc2ccccn2c1=O ZINC001198548004 834952350 /nfs/dbraw/zinc/95/23/50/834952350.db2.gz MPODRVCXWRVPBX-UHFFFAOYSA-N -1 0 303.274 -0.142 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CO1 ZINC001262547449 834957771 /nfs/dbraw/zinc/95/77/71/834957771.db2.gz WALUYXKLFIANGW-NUGNTBJXSA-N -1 0 310.350 -0.151 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1cnc(NCC2CCOCC2)nc1 ZINC001198682744 834960338 /nfs/dbraw/zinc/96/03/38/834960338.db2.gz TZSDYVOKXIRLQT-LLVKDONJSA-N -1 0 321.337 -0.525 20 0 DBADRM CN1CCO[C@H](CNS(=O)(=O)c2ccccc2C(=O)[O-])C1 ZINC001198792516 834967898 /nfs/dbraw/zinc/96/78/98/834967898.db2.gz OFYXEVLRIHJDJK-SNVBAGLBSA-N -1 0 314.363 -0.006 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)NC[C@H]1CNC(=O)O1 ZINC001198821416 834970097 /nfs/dbraw/zinc/97/00/97/834970097.db2.gz ZKJYMNJFOCFEMF-SSDOTTSWSA-N -1 0 300.292 -0.229 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CNC(=O)O1 ZINC001198821417 834970183 /nfs/dbraw/zinc/97/01/83/834970183.db2.gz ZKJYMNJFOCFEMF-ZETCQYMHSA-N -1 0 300.292 -0.229 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cnc(=O)n(C2CCOCC2)c1 ZINC001198898934 834976483 /nfs/dbraw/zinc/97/64/83/834976483.db2.gz GKMHDJKEZBCOBV-UHFFFAOYSA-N -1 0 320.309 -0.652 20 0 DBADRM COCCOc1cnc(C(=O)NCC(=O)CCC(=O)[O-])cn1 ZINC001199133251 834990823 /nfs/dbraw/zinc/99/08/23/834990823.db2.gz YOEXICRYISBJBW-UHFFFAOYSA-N -1 0 311.294 -0.335 20 0 DBADRM C[C@@H](CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC1 ZINC001199164508 834994903 /nfs/dbraw/zinc/99/49/03/834994903.db2.gz SSUFXPWZQYIQMR-JMJZKYOTSA-N -1 0 309.370 -0.392 20 0 DBADRM Nc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(O)c(=O)[nH]1 ZINC001199199586 834999295 /nfs/dbraw/zinc/99/92/95/834999295.db2.gz YLPOJDHKCQINDG-UHFFFAOYSA-N -1 0 324.318 -0.025 20 0 DBADRM COCCOc1ncc(C(=O)N[C@H]2SC(=O)[N-]C2=O)cn1 ZINC001199254888 835003884 /nfs/dbraw/zinc/00/38/84/835003884.db2.gz ZDDRIVRTDUBXSS-VIFPVBQESA-N -1 0 312.307 -0.459 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)c1ncccc1N1CCOCC1 ZINC001199281604 835007261 /nfs/dbraw/zinc/00/72/61/835007261.db2.gz YDRQJUISKZQHQE-LBPRGKRZSA-N -1 0 322.346 -0.043 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1cnc(OCC(F)(F)F)nc1 ZINC001199528208 835031336 /nfs/dbraw/zinc/03/13/36/835031336.db2.gz ZWZZILUCGYANNG-UHFFFAOYSA-N -1 0 315.229 -0.007 20 0 DBADRM Cc1cc(C(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)cnn1 ZINC001264979970 835060437 /nfs/dbraw/zinc/06/04/37/835060437.db2.gz LEZOANDTOYQUKR-UHFFFAOYSA-N -1 0 305.342 -0.139 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1ccnc(OCC2CCOCC2)n1 ZINC001199647450 835041977 /nfs/dbraw/zinc/04/19/77/835041977.db2.gz SWRHRVGFKOOABK-LLVKDONJSA-N -1 0 322.321 -0.558 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1ccnc(OCC2CCOCC2)n1 ZINC001199644228 835041986 /nfs/dbraw/zinc/04/19/86/835041986.db2.gz WZDYFCKVDZBTEM-UHFFFAOYSA-N -1 0 319.325 -0.520 20 0 DBADRM C[C@H]1[C@H](NC(=S)Nc2cccnc2)C(=O)N1S(=O)(=O)[O-] ZINC001199906597 835067725 /nfs/dbraw/zinc/06/77/25/835067725.db2.gz DAEQOOWXVCCCLN-XPUUQOCRSA-N -1 0 316.364 -0.230 20 0 DBADRM Cc1ncc(C[N@H+](C)CCCNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001265064356 835083035 /nfs/dbraw/zinc/08/30/35/835083035.db2.gz ZVKGKFSWVRMRBR-UHFFFAOYSA-N -1 0 324.341 -0.376 20 0 DBADRM CCN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ccon1 ZINC001265144045 835099323 /nfs/dbraw/zinc/09/93/23/835099323.db2.gz ZIZODKZQQDBRRC-UHFFFAOYSA-N -1 0 324.341 -0.294 20 0 DBADRM CC[C@@H](C)CNC(=S)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001200271231 835112287 /nfs/dbraw/zinc/11/22/87/835112287.db2.gz IRDKJBBEDFITDR-CSMHCCOUSA-N -1 0 309.413 -0.101 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cc3cccn3cn2)C(=O)N1S(=O)(=O)[O-] ZINC001201383918 835187333 /nfs/dbraw/zinc/18/73/33/835187333.db2.gz IMSDJGOMKHSYFV-XVKPBYJWSA-N -1 0 324.318 -0.534 20 0 DBADRM CCOC(=O)c1nonc1[N-]S(=O)(=O)CCCC(=O)OC ZINC001201903539 835217106 /nfs/dbraw/zinc/21/71/06/835217106.db2.gz BXVQDFXGXRXAFZ-UHFFFAOYSA-N -1 0 321.311 -0.059 20 0 DBADRM CN(CCNC(=O)c1cnc2nccn2c1)Cc1n[nH]c(=O)[n-]1 ZINC001266297003 835267995 /nfs/dbraw/zinc/26/79/95/835267995.db2.gz GJOZJGXQGDRFQZ-UHFFFAOYSA-N -1 0 316.325 -0.585 20 0 DBADRM CN(C)C(=O)CN1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001203020653 835278207 /nfs/dbraw/zinc/27/82/07/835278207.db2.gz ADIBXVVJFBCAGA-UHFFFAOYSA-N -1 0 307.416 -0.640 20 0 DBADRM CCn1[n-]nnc1=NC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC001205253741 835337845 /nfs/dbraw/zinc/33/78/45/835337845.db2.gz VJJYPIYRXVEPKN-LLVKDONJSA-N -1 0 317.309 -0.016 20 0 DBADRM CCNC(=O)CC(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001266839599 835392648 /nfs/dbraw/zinc/39/26/48/835392648.db2.gz DZGQWLVZGDHNRU-JTQLQIEISA-N -1 0 324.385 -0.493 20 0 DBADRM CCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001206874314 835421858 /nfs/dbraw/zinc/42/18/58/835421858.db2.gz NFPJIYHWUKJKBH-PSASIEDQSA-N -1 0 309.370 -0.390 20 0 DBADRM Cc1cnc(CNCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001267016804 835430192 /nfs/dbraw/zinc/43/01/92/835430192.db2.gz AQNMNMGXCIWMIK-UHFFFAOYSA-N -1 0 310.314 -0.766 20 0 DBADRM CC(C)(C(N)=O)C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001267327542 835487079 /nfs/dbraw/zinc/48/70/79/835487079.db2.gz QZJSNIXQYYGVGX-UHFFFAOYSA-N -1 0 310.358 -0.898 20 0 DBADRM CCN(CCNCc1ccon1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001268462828 835700066 /nfs/dbraw/zinc/70/00/66/835700066.db2.gz LRGAMKZTUXREQU-UHFFFAOYSA-N -1 0 308.298 -0.477 20 0 DBADRM CC(C)OCCCN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001268478162 835705374 /nfs/dbraw/zinc/70/53/74/835705374.db2.gz AXGIGSUTVKNZJT-UHFFFAOYSA-N -1 0 313.358 -0.695 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNCc2nnnn2C)c1[O-] ZINC001268528920 835718300 /nfs/dbraw/zinc/71/83/00/835718300.db2.gz MVISLOWAZMWISM-ARJAWSKDSA-N -1 0 306.330 -0.977 20 0 DBADRM Cc1cc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)ncn1 ZINC001268529737 835718710 /nfs/dbraw/zinc/71/87/10/835718710.db2.gz UWBLAADMMWGJNU-IHWYPQMZSA-N -1 0 303.326 -0.315 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC=CCNCc1nccs1 ZINC001268619805 835756099 /nfs/dbraw/zinc/75/60/99/835756099.db2.gz ULUDZXQTWNTVEY-OWOJBTEDSA-N -1 0 324.366 -0.392 20 0 DBADRM CC[C@@H](NC(=O)c1nc[n-]c(=O)c1Br)C(N)=O ZINC001362481751 981592985 /nfs/dbraw/zinc/59/29/85/981592985.db2.gz YVYDQCHZZBYCBG-SCSAIBSYSA-N -1 0 303.116 -0.062 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cn1cnc2ccccc21 ZINC000321832143 970813309 /nfs/dbraw/zinc/81/33/09/970813309.db2.gz GRMWZJZXUDPKQG-GFCCVEGCSA-N -1 0 316.317 -0.162 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cc1cn2ccccc2n1 ZINC000321997450 970834974 /nfs/dbraw/zinc/83/49/74/970834974.db2.gz MRLYKUWBQVYLIK-LLVKDONJSA-N -1 0 316.317 -0.322 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)c1cc2n(n1)CCCO2)C(=O)[O-] ZINC001601034473 970916536 /nfs/dbraw/zinc/91/65/36/970916536.db2.gz VWLHJTBBYSQUFK-LLVKDONJSA-N -1 0 305.294 -0.045 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1 ZINC001601575754 971023854 /nfs/dbraw/zinc/02/38/54/971023854.db2.gz UAISYDZXIXHYFE-MSLAYNRJSA-N -1 0 302.352 -0.464 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCn2ncnc2C1 ZINC001601621773 971031359 /nfs/dbraw/zinc/03/13/59/971031359.db2.gz COSISDQWOUCYPM-UHFFFAOYSA-N -1 0 315.289 -0.043 20 0 DBADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000324244569 971101137 /nfs/dbraw/zinc/10/11/37/971101137.db2.gz JKGSNPXPKPWUMU-QWRGUYRKSA-N -1 0 317.301 -0.377 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CO)C[C@H]1C1CC1 ZINC001602180083 971166675 /nfs/dbraw/zinc/16/66/75/971166675.db2.gz OTFUIAMTKYANEZ-GRYCIOLGSA-N -1 0 310.350 -0.461 20 0 DBADRM CC(=O)N1CCO[C@@H]([C@H](C)Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573451753 945841727 /nfs/dbraw/zinc/84/17/27/945841727.db2.gz ZOPQCJJGDMLHLG-WCBMZHEXSA-N -1 0 318.341 -0.874 20 0 DBADRM CC(=O)NC[C@H](O)CNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001573529889 946680482 /nfs/dbraw/zinc/68/04/82/946680482.db2.gz KTOJWGAIDGFOTH-YFKPBYRVSA-N -1 0 317.762 -0.115 20 0 DBADRM C[C@H](C(=O)N(C)Cc1ncccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001573604727 947515037 /nfs/dbraw/zinc/51/50/37/947515037.db2.gz QJRXWGXCCQFWCQ-MRVPVSSYSA-N -1 0 314.313 -0.532 20 0 DBADRM C[C@H](C(=O)N(C)[C@@H]1CCC[C@H]1O)n1cnc(-c2nnn[n-]2)n1 ZINC001573604756 947515246 /nfs/dbraw/zinc/51/52/46/947515246.db2.gz QZDHELMETPKAEW-IWSPIJDZSA-N -1 0 306.330 -0.609 20 0 DBADRM C[C@@H](C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573647588 947900459 /nfs/dbraw/zinc/90/04/59/947900459.db2.gz PQUFCXAPNBMNOX-HLTSFMKQSA-N -1 0 318.341 -0.297 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])nc2n1 ZINC000328347431 971465357 /nfs/dbraw/zinc/46/53/57/971465357.db2.gz NHPKARZJBNKHDO-RKDXNWHRSA-N -1 0 305.294 -0.599 20 0 DBADRM C[C@@H](C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C1CC1 ZINC001573717261 948506484 /nfs/dbraw/zinc/50/64/84/948506484.db2.gz KVHQCLGEVPBJDS-SSDOTTSWSA-N -1 0 319.325 -0.709 20 0 DBADRM C[C@H](C(=O)NCCc1cn(C)cn1)n1cnc(-c2nnn[n-]2)n1 ZINC001573718795 948521544 /nfs/dbraw/zinc/52/15/44/948521544.db2.gz TYZBKPAIPRATQD-MRVPVSSYSA-N -1 0 316.329 -0.888 20 0 DBADRM C[C@@H](C(=O)NC1(c2ncon2)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001570918651 948576180 /nfs/dbraw/zinc/57/61/80/948576180.db2.gz RUSWOCKECSUTFJ-LURJTMIESA-N -1 0 316.285 -0.792 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCCC[C@@H]1O)n1cnc(-c2nnn[n-]2)n1 ZINC001573730181 948577614 /nfs/dbraw/zinc/57/76/14/948577614.db2.gz ZGHCPNRPSLSXRM-BBBLOLIVSA-N -1 0 320.357 -0.314 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@]1(C)CCNC1=O ZINC001570921392 948619908 /nfs/dbraw/zinc/61/99/08/948619908.db2.gz YFFCZIYAEQIKKJ-CYBMUJFWSA-N -1 0 317.309 -0.716 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1[C@H](CO)CC[C@H]1CO ZINC001570921499 948621808 /nfs/dbraw/zinc/62/18/08/948621808.db2.gz CKPIVLMMYUEYLX-UWVGGRQHSA-N -1 0 319.321 -0.470 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NCCC1CCC1 ZINC001570921465 948622191 /nfs/dbraw/zinc/62/21/91/948622191.db2.gz BEASDVPVSCQUSE-UHFFFAOYSA-N -1 0 319.325 -0.565 20 0 DBADRM C[C@@H](CNC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C1CC1 ZINC001570921709 948627026 /nfs/dbraw/zinc/62/70/26/948627026.db2.gz LVJJDBYIZDMQDJ-ZETCQYMHSA-N -1 0 319.325 -0.709 20 0 DBADRM C[C@H]1CCCN(C(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001570921986 948632059 /nfs/dbraw/zinc/63/20/59/948632059.db2.gz RWSQANZUQUWZID-QMMMGPOBSA-N -1 0 319.325 -0.613 20 0 DBADRM CC[C@@H]1[C@H](CO)CCN1C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001570923002 948652823 /nfs/dbraw/zinc/65/28/23/948652823.db2.gz RLYZKFHLMVVOER-KXUCPTDWSA-N -1 0 320.357 -0.361 20 0 DBADRM CC[C@@](C)(CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1)OC ZINC001570923458 948662688 /nfs/dbraw/zinc/66/26/88/948662688.db2.gz YOJBAAVTPIMBQT-LBPRGKRZSA-N -1 0 323.361 -0.428 20 0 DBADRM CC[C@@H](CO)N(C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589555110 948782160 /nfs/dbraw/zinc/78/21/60/948782160.db2.gz GWYRCJHPJBPZBQ-QWRGUYRKSA-N -1 0 315.370 -0.136 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001589555279 948785421 /nfs/dbraw/zinc/78/54/21/948785421.db2.gz OPXBWANBDZZOMD-RKDXNWHRSA-N -1 0 309.388 -0.324 20 0 DBADRM CC[C@](COC)(NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C(=O)OC ZINC001589557512 948796838 /nfs/dbraw/zinc/79/68/38/948796838.db2.gz HWWWXTCZRHJZGZ-QPUJVOFHSA-N -1 0 302.283 -0.700 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)C(=O)NC ZINC001589562176 948827516 /nfs/dbraw/zinc/82/75/16/948827516.db2.gz RMDMHSXDEAXTEB-LLVKDONJSA-N -1 0 321.333 -0.107 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000037430083 948828941 /nfs/dbraw/zinc/82/89/41/948828941.db2.gz MDYUFEWPWFYSKW-UHFFFAOYSA-N -1 0 315.351 -0.200 20 0 DBADRM CCCNC(=O)[C@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037657002 948839932 /nfs/dbraw/zinc/83/99/32/948839932.db2.gz FYLRIDQYDXWOBN-VIFPVBQESA-N -1 0 321.399 -0.468 20 0 DBADRM NS(=O)(=O)CCCNC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000045090583 948901563 /nfs/dbraw/zinc/90/15/63/948901563.db2.gz FZMFQWBKISDAPT-UHFFFAOYSA-N -1 0 315.351 -0.137 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000062935260 948967043 /nfs/dbraw/zinc/96/70/43/948967043.db2.gz JGEJBCBJCZENPK-BXKDBHETSA-N -1 0 304.368 -0.073 20 0 DBADRM CC[C@@H](OC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC001589578413 948988863 /nfs/dbraw/zinc/98/88/63/948988863.db2.gz MHTDVONJTRIDLL-SECBINFHSA-N -1 0 323.305 -0.404 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000079479752 949005159 /nfs/dbraw/zinc/00/51/59/949005159.db2.gz PTEXCIJERYSMRS-LBPRGKRZSA-N -1 0 315.351 -0.248 20 0 DBADRM O=C([O-])c1cc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)[nH]n1 ZINC000080669939 949012506 /nfs/dbraw/zinc/01/25/06/949012506.db2.gz MNISRFRDMNUFSA-LURJTMIESA-N -1 0 319.364 -0.033 20 0 DBADRM CC[C@@](C)(NC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000362338918 971534608 /nfs/dbraw/zinc/53/46/08/971534608.db2.gz HMYRONNMIOZODZ-CYBMUJFWSA-N -1 0 307.310 -0.501 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)Cn2cnnn2)cc1 ZINC000362574754 971535897 /nfs/dbraw/zinc/53/58/97/971535897.db2.gz HOAZWUKZEGBATR-UHFFFAOYSA-N -1 0 318.293 -0.945 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1ncn(C)n1 ZINC001575250382 949113702 /nfs/dbraw/zinc/11/37/02/949113702.db2.gz FVKHKARLHDLVHJ-RQJHMYQMSA-N -1 0 317.317 -0.975 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)c1ccn(C)n1)n1cnc(-c2nnn[n-]2)n1 ZINC001575251046 949126608 /nfs/dbraw/zinc/12/66/08/949126608.db2.gz KMMMDUCQNBENMA-JGVFFNPUSA-N -1 0 316.329 -0.370 20 0 DBADRM CN(C)C(=O)N1CCC(C(=O)NCCOCC(=O)[O-])CC1 ZINC000093228059 949167262 /nfs/dbraw/zinc/16/72/62/949167262.db2.gz GKYGKONASMBTQJ-UHFFFAOYSA-N -1 0 301.343 -0.403 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)nc1 ZINC001595215192 949210084 /nfs/dbraw/zinc/21/00/84/949210084.db2.gz JXUARCLNWOGSGH-HNNXBMFYSA-N -1 0 321.333 -0.701 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCO[C@H](Cn3ccnn3)C2)nc1 ZINC001595215205 949211347 /nfs/dbraw/zinc/21/13/47/949211347.db2.gz LXGMSAJWGCGPRM-NSHDSACASA-N -1 0 317.305 -0.088 20 0 DBADRM CC(C)c1oncc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001574451261 949223308 /nfs/dbraw/zinc/22/33/08/949223308.db2.gz IYJPJARWPAAGAD-UHFFFAOYSA-N -1 0 317.313 0.000 20 0 DBADRM C[C@H]1CCC[C@@]1(O)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001576153142 949277348 /nfs/dbraw/zinc/27/73/48/949277348.db2.gz KXCABUOKJZNNMY-WPPNPWJKSA-N -1 0 321.341 -0.371 20 0 DBADRM O=C([O-])c1ccc(/C=C/C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)o1 ZINC001595225370 949284110 /nfs/dbraw/zinc/28/41/10/949284110.db2.gz LGVUDKQOSLGMIE-HDMKULJXSA-N -1 0 320.301 -0.300 20 0 DBADRM O=C([O-])c1ccc(C=CC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)o1 ZINC001595226682 949306348 /nfs/dbraw/zinc/30/63/48/949306348.db2.gz NZUZEXZPVAZEFS-FIFYQCSRSA-N -1 0 319.273 -0.246 20 0 DBADRM CS(=O)(=O)NCCNC(=O)Nc1cccnc1C(=O)[O-] ZINC000132997961 949317605 /nfs/dbraw/zinc/31/76/05/949317605.db2.gz ZVZKIKVKPFZTDM-UHFFFAOYSA-N -1 0 302.312 -0.550 20 0 DBADRM CCC1(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)COC1 ZINC001589615608 949366839 /nfs/dbraw/zinc/36/68/39/949366839.db2.gz QGRPALGWDZHPRH-UHFFFAOYSA-N -1 0 319.379 -0.191 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC000378732589 971575621 /nfs/dbraw/zinc/57/56/21/971575621.db2.gz XPAJKADYXWCYNO-WPRPVWTQSA-N -1 0 309.326 -0.688 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCC2(O)CCOCC2)CC1 ZINC000162573391 949393290 /nfs/dbraw/zinc/39/32/90/949393290.db2.gz HHRAFPANWUIVQP-UHFFFAOYSA-N -1 0 322.383 -0.841 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])[C@@H](C)CO1 ZINC001589624729 949460846 /nfs/dbraw/zinc/46/08/46/949460846.db2.gz MNDWUDVCXUSKLK-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])[C@@H](C)CO1 ZINC001589624730 949461058 /nfs/dbraw/zinc/46/10/58/949461058.db2.gz MNDWUDVCXUSKLK-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM CC[C@@H]1CN([C@@H]2CCN(CC(=O)[O-])C2=O)C[C@@H](C)S1(=O)=O ZINC001589626494 949483121 /nfs/dbraw/zinc/48/31/21/949483121.db2.gz KWKBHGWUTRUTRW-GMTAPVOTSA-N -1 0 318.395 -0.431 20 0 DBADRM CC[C@@H]1CN([C@@H]2CCN(CC(=O)[O-])C2=O)C[C@]2(CCOC2)O1 ZINC001589626983 949496924 /nfs/dbraw/zinc/49/69/24/949496924.db2.gz USALDXXZUBMIKA-JMSVASOKSA-N -1 0 312.366 -0.058 20 0 DBADRM CCC[C@@H](C(=O)NCC1(C(=O)[O-])CCOCC1)S(N)(=O)=O ZINC001589630546 949530224 /nfs/dbraw/zinc/53/02/24/949530224.db2.gz HXIFKOKAXMQMDE-VIFPVBQESA-N -1 0 322.383 -0.559 20 0 DBADRM CCC[C@H](C(=O)Nc1ccn(CC(=O)[O-])n1)S(N)(=O)=O ZINC001589630181 949525216 /nfs/dbraw/zinc/52/52/16/949525216.db2.gz BFLFMBFVVBFISE-SSDOTTSWSA-N -1 0 304.328 -0.637 20 0 DBADRM CCC[C@@H](C(=O)N1CC[C@](COC)(C(=O)[O-])C1)S(N)(=O)=O ZINC001589630503 949528933 /nfs/dbraw/zinc/52/89/33/949528933.db2.gz GLKVQAIQAJJRRG-CABZTGNLSA-N -1 0 322.383 -0.607 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)[C@@H]1CO ZINC000226922723 949588319 /nfs/dbraw/zinc/58/83/19/949588319.db2.gz ZHYRWBIYHDNBFS-GXSJLCMTSA-N -1 0 306.384 -0.270 20 0 DBADRM CCC[C@@]1(C)NC(=O)N(CCS(=O)(=O)CC(=O)[O-])C1=O ZINC001589635320 949611504 /nfs/dbraw/zinc/61/15/04/949611504.db2.gz GEPBQLQSAUQGKR-LLVKDONJSA-N -1 0 306.340 -0.404 20 0 DBADRM CCC[C@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])CCO1 ZINC001589638930 949646864 /nfs/dbraw/zinc/64/68/64/949646864.db2.gz HMXSSUKQYKRFDE-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)c1 ZINC000230755762 949693758 /nfs/dbraw/zinc/69/37/58/949693758.db2.gz ZXVJYDIPKHJVLL-VIFPVBQESA-N -1 0 313.291 -0.498 20 0 DBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC000230761553 949721550 /nfs/dbraw/zinc/72/15/50/949721550.db2.gz DOZJTYNIILXFMD-SFYZADRCSA-N -1 0 322.364 -0.838 20 0 DBADRM CCCCN(CCO)C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001589647646 949749363 /nfs/dbraw/zinc/74/93/63/949749363.db2.gz GPBRBADOOJRCML-UHFFFAOYSA-N -1 0 300.355 -0.069 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)NS(C)(=O)=O ZINC000232525879 949777017 /nfs/dbraw/zinc/77/70/17/949777017.db2.gz MOIUNRWWMKGERC-DTWKUNHWSA-N -1 0 306.384 -0.069 20 0 DBADRM O=C([O-])c1cnc(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cn1 ZINC001595267902 949778367 /nfs/dbraw/zinc/77/83/67/949778367.db2.gz KPEMOGYOOCNBLJ-MRVPVSSYSA-N -1 0 304.306 -0.085 20 0 DBADRM CN(C(=O)c1cc(C(=O)[O-])no1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000379185418 971610685 /nfs/dbraw/zinc/61/06/85/971610685.db2.gz QZQFSQOGYWKBFX-SSDOTTSWSA-N -1 0 317.323 -0.521 20 0 DBADRM COC[C@@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)OC ZINC000234721231 949834868 /nfs/dbraw/zinc/83/48/68/949834868.db2.gz XZCXTHVFPONIBU-SNVBAGLBSA-N -1 0 310.372 -0.721 20 0 DBADRM CCCN(C(=O)c1cnc(C(=O)[O-])cn1)[C@H]1CC(=O)N(C)C1=O ZINC001589659514 949849416 /nfs/dbraw/zinc/84/94/16/949849416.db2.gz QDBUJJXILPJWIL-JTQLQIEISA-N -1 0 320.305 -0.216 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cn3c(n1)COCC3)C2 ZINC001595278117 949949996 /nfs/dbraw/zinc/94/99/96/949949996.db2.gz GLPJJWFBHBYNBK-XPTSAGLGSA-N -1 0 307.306 -0.414 20 0 DBADRM CCCN(CCO)C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589674301 949973086 /nfs/dbraw/zinc/97/30/86/949973086.db2.gz LTSIUNHNXAWJFR-MNOVXSKESA-N -1 0 300.355 -0.214 20 0 DBADRM O=C([O-])c1c(NC(=O)[C@H]2CCC(=O)NC2)nc2n1CCOC2 ZINC001595281865 949980316 /nfs/dbraw/zinc/98/03/16/949980316.db2.gz DSMGWTSBZXGTDQ-ZETCQYMHSA-N -1 0 308.294 -0.424 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)C1 ZINC001595283287 949988628 /nfs/dbraw/zinc/98/86/28/949988628.db2.gz RSDBFFDCRXDVMR-ZUZCIYMTSA-N -1 0 323.349 -0.952 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CN1CCCCC(=O)C1=O)C2 ZINC001595285042 950004792 /nfs/dbraw/zinc/00/47/92/950004792.db2.gz CNFNAQOFJDKEBQ-BONVTDFDSA-N -1 0 324.333 -0.872 20 0 DBADRM O=C([O-])[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@H]1CC(=O)N1 ZINC001595285392 950014264 /nfs/dbraw/zinc/01/42/64/950014264.db2.gz NDTARFRYHMMECZ-MNOVXSKESA-N -1 0 320.301 -0.422 20 0 DBADRM O=C([O-])[C@@]1(C(=O)OCC(=O)N2CCNC(=O)C2)CC=CCC1 ZINC001595287494 950049133 /nfs/dbraw/zinc/04/91/33/950049133.db2.gz GTRGYUJDXHBWAR-CQSZACIVSA-N -1 0 310.306 -0.701 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCCN2CCNC(=O)C2)nc1 ZINC001595287933 950056526 /nfs/dbraw/zinc/05/65/26/950056526.db2.gz QATKIYWRFDXQGN-UHFFFAOYSA-N -1 0 306.322 -0.669 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000379289186 971630646 /nfs/dbraw/zinc/63/06/46/971630646.db2.gz IRWZOZHZMDNHRV-HTQZYQBOSA-N -1 0 307.324 -0.914 20 0 DBADRM O=C([O-])[C@H]1CCCCN1C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001595292043 950077168 /nfs/dbraw/zinc/07/71/68/950077168.db2.gz KKUXYWIUACZYLF-PSASIEDQSA-N -1 0 323.309 -0.534 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001595292363 950080346 /nfs/dbraw/zinc/08/03/46/950080346.db2.gz OALREABKBOMQBM-NQTXRORDSA-N -1 0 324.337 -0.377 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)nc1 ZINC001595292790 950085336 /nfs/dbraw/zinc/08/53/36/950085336.db2.gz MUCPMYABVOWAIB-QWRGUYRKSA-N -1 0 305.290 -0.491 20 0 DBADRM O=C([O-])[C@@H]1CCCCN1Cc1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001595293362 950090980 /nfs/dbraw/zinc/09/09/80/950090980.db2.gz SAPYDCCYZJEINA-MNOVXSKESA-N -1 0 309.326 -0.174 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000262284511 950102441 /nfs/dbraw/zinc/10/24/41/950102441.db2.gz ZOUOXFOEZBPGOB-GHMZBOCLSA-N -1 0 318.395 -0.067 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)CCOCC1 ZINC001595295837 950134033 /nfs/dbraw/zinc/13/40/33/950134033.db2.gz HJVDBOVMOJRKHW-SNVBAGLBSA-N -1 0 312.322 -0.033 20 0 DBADRM CCCc1nnc(SCC(=O)NC[C@@H](C)C(=O)[O-])n1N ZINC001589693552 950148642 /nfs/dbraw/zinc/14/86/42/950148642.db2.gz XFPIGXKRYPZOBQ-SSDOTTSWSA-N -1 0 301.372 -0.127 20 0 DBADRM CCCn1cc(C(=O)N2CCO[C@](COC)(C(=O)[O-])C2)nn1 ZINC001589694655 950152220 /nfs/dbraw/zinc/15/22/20/950152220.db2.gz LHUHSXPCAWONBT-CYBMUJFWSA-N -1 0 312.326 -0.370 20 0 DBADRM CCN(C(=O)C(=O)Nc1cc(N(C)C)ncn1)[C@@H](C)C(=O)[O-] ZINC001589696995 950176280 /nfs/dbraw/zinc/17/62/80/950176280.db2.gz GODHXHSVOHJMJA-QMMMGPOBSA-N -1 0 309.326 -0.197 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCCc2cn[nH]c2)CC1 ZINC000379577898 971644890 /nfs/dbraw/zinc/64/48/90/971644890.db2.gz CXEOLYSNSNPYOT-UHFFFAOYSA-N -1 0 302.356 -0.417 20 0 DBADRM CCN(C(C)=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cn1 ZINC001589713122 950337058 /nfs/dbraw/zinc/33/70/58/950337058.db2.gz DJHAJUZSUWDRIL-QMMMGPOBSA-N -1 0 322.321 -0.018 20 0 DBADRM CCN(C)C(=O)Cn1nnnc1N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589713832 950355689 /nfs/dbraw/zinc/35/56/89/950355689.db2.gz PASWCZYKWRZLQS-NXEZZACHSA-N -1 0 310.358 -0.302 20 0 DBADRM CCN(C)C(=O)COC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589713941 950357681 /nfs/dbraw/zinc/35/76/81/950357681.db2.gz VVHYXPFVANNRMZ-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM CCN(C)C(=O)COC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589713942 950358782 /nfs/dbraw/zinc/35/87/82/950358782.db2.gz VVHYXPFVANNRMZ-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM CCN(CC(=O)OC)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589718938 950390697 /nfs/dbraw/zinc/39/06/97/950390697.db2.gz RQAPWFAFZRBJOX-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001589719655 950402469 /nfs/dbraw/zinc/40/24/69/950402469.db2.gz GBYWEGINNBEZFB-SSDOTTSWSA-N -1 0 310.232 -0.252 20 0 DBADRM C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)ccn1)c1nnn[n-]1 ZINC001574747822 950415985 /nfs/dbraw/zinc/41/59/85/950415985.db2.gz YIFGDLPQRNMXBU-SSDOTTSWSA-N -1 0 314.313 -0.350 20 0 DBADRM CCN(CC)C(=O)[C@@H]1CCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001589721446 950428483 /nfs/dbraw/zinc/42/84/83/950428483.db2.gz XNSLZSHDEHKDHY-NSHDSACASA-N -1 0 320.411 -0.181 20 0 DBADRM CCN(CCCNC(=O)[C@]1(C(=O)[O-])C[C@H]1C)S(C)(=O)=O ZINC001589730520 950502192 /nfs/dbraw/zinc/50/21/92/950502192.db2.gz LQLUDBZXNZIAFV-SKDRFNHKSA-N -1 0 306.384 -0.115 20 0 DBADRM C[S@@](=O)C1(CNS(=O)(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC000380113196 971677107 /nfs/dbraw/zinc/67/71/07/971677107.db2.gz JDQQMFUEGLWFJN-LJQANCHMSA-N -1 0 318.376 -0.031 20 0 DBADRM C[S@](=O)C1(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000380119065 971678054 /nfs/dbraw/zinc/67/80/54/971678054.db2.gz OYCGQFTUYKLCCM-LXGOIASLSA-N -1 0 304.368 -0.217 20 0 DBADRM C[S@@](=O)C1(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000380122433 971678080 /nfs/dbraw/zinc/67/80/80/971678080.db2.gz SKGKDDRPPNCKDC-GOSISDBHSA-N -1 0 306.365 -0.098 20 0 DBADRM CCN1CC[C@H](OC(=O)c2cccn(CC(=O)[O-])c2=O)C1=O ZINC001589741923 950617629 /nfs/dbraw/zinc/61/76/29/950617629.db2.gz YGNRDRURIJIUHC-JTQLQIEISA-N -1 0 308.290 -0.290 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCCNC(=O)OC)C1 ZINC000308160138 950636683 /nfs/dbraw/zinc/63/66/83/950636683.db2.gz XWQVRLGHKFPPMP-GFCCVEGCSA-N -1 0 303.315 -0.525 20 0 DBADRM CCN1CCN(CC(=O)Nc2cncc(C(=O)[O-])c2)C(=O)C1=O ZINC001589744032 950637895 /nfs/dbraw/zinc/63/78/95/950637895.db2.gz IISBXOZHLXOFNJ-UHFFFAOYSA-N -1 0 320.305 -0.591 20 0 DBADRM CCN1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](OC)C(=O)[O-])CC1 ZINC001589744461 950656922 /nfs/dbraw/zinc/65/69/22/950656922.db2.gz RIBWLDRENOXCNK-ZJUUUORDSA-N -1 0 302.327 -0.818 20 0 DBADRM CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@](C)(OC)C(=O)[O-])[C@H]2C1 ZINC001589882646 950695979 /nfs/dbraw/zinc/69/59/79/950695979.db2.gz SURNAIXPSIZWTH-MISXGVKJSA-N -1 0 300.355 -0.202 20 0 DBADRM CCNC(=O)C(C)(C)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589882603 950696823 /nfs/dbraw/zinc/69/68/23/950696823.db2.gz RAIXKPBLFGETKD-SECBINFHSA-N -1 0 313.354 -0.660 20 0 DBADRM COC(=O)C[C@H](C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000380238456 971687044 /nfs/dbraw/zinc/68/70/44/971687044.db2.gz NDKWXOKDLHWRMU-ZETCQYMHSA-N -1 0 305.312 -0.802 20 0 DBADRM CCNC(=O)[C@@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)C(C)C ZINC001589909562 950727333 /nfs/dbraw/zinc/72/73/33/950727333.db2.gz SIBRNDQKEQGTOR-UWVGGRQHSA-N -1 0 301.343 -0.358 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCN(c2nccs2)CC1 ZINC000312383378 950759930 /nfs/dbraw/zinc/75/99/30/950759930.db2.gz NKFAXWGTYSPNKQ-UHFFFAOYSA-N -1 0 319.408 -0.236 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(C)(C)S(C)(=O)=O)C1 ZINC000312554272 950763287 /nfs/dbraw/zinc/76/32/87/950763287.db2.gz KOIMQDQWAGUBHA-GFCCVEGCSA-N -1 0 307.368 -0.241 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C1(C(=O)[O-])CC1 ZINC001590058611 950781049 /nfs/dbraw/zinc/78/10/49/950781049.db2.gz PTOGFHFPGSHVMK-JGVFFNPUSA-N -1 0 300.311 -0.576 20 0 DBADRM CCOC(=O)[C@H](COC)N(C(=O)[C@H](OC)C(=O)[O-])C1CC1 ZINC001590128767 950790396 /nfs/dbraw/zinc/79/03/96/950790396.db2.gz AUHOLXNTHRCOEH-UWVGGRQHSA-N -1 0 303.311 -0.345 20 0 DBADRM CCOC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)COCC(=O)[O-] ZINC001590130095 950810618 /nfs/dbraw/zinc/81/06/18/950810618.db2.gz VASYILURZOGFBT-NXEZZACHSA-N -1 0 303.311 -0.295 20 0 DBADRM CCOC(=O)C1(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)CCC1 ZINC001590137576 950822251 /nfs/dbraw/zinc/82/22/51/950822251.db2.gz JNVMYVBKDNHPII-SECBINFHSA-N -1 0 313.306 -0.052 20 0 DBADRM COC(=O)[C@H](NCCS(=O)(=O)CC(=O)[O-])c1ccccc1 ZINC000314864063 950831873 /nfs/dbraw/zinc/83/18/73/950831873.db2.gz XCFSHVNQNUQZEV-GFCCVEGCSA-N -1 0 315.347 -0.010 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@@H](OC)C(=O)[O-])[C@@H]1CCCOC1 ZINC001590138814 950832961 /nfs/dbraw/zinc/83/29/61/950832961.db2.gz URNMNMBKSQESJI-OPRDCNLKSA-N -1 0 303.311 -0.440 20 0 DBADRM CCOC(=O)[C@]1(C)CN(C(=O)c2cc(C(=O)[O-])n[nH]2)CCO1 ZINC001590177385 950844703 /nfs/dbraw/zinc/84/47/03/950844703.db2.gz IDQORXBQBJHBTR-ZDUSSCGKSA-N -1 0 311.294 -0.098 20 0 DBADRM CCOC(=O)C12CC(C1)CN2C(=O)c1cn(CC(=O)[O-])nn1 ZINC001590179880 950871938 /nfs/dbraw/zinc/87/19/38/950871938.db2.gz ULFRILHDGZGYOF-UHFFFAOYSA-N -1 0 308.294 -0.470 20 0 DBADRM COCCn1nc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1=O ZINC000316668662 950887372 /nfs/dbraw/zinc/88/73/72/950887372.db2.gz KQQIRGGNDHLFRT-CQSZACIVSA-N -1 0 309.322 -0.174 20 0 DBADRM CCOC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001590346907 950913005 /nfs/dbraw/zinc/91/30/05/950913005.db2.gz OTMIOLDPRGLTAY-YUMQZZPRSA-N -1 0 302.308 -0.320 20 0 DBADRM O=C([O-])CC1(C(=O)NCc2nnc3c(=O)[nH]ccn23)CCC1 ZINC001594976227 950913385 /nfs/dbraw/zinc/91/33/85/950913385.db2.gz GTUCTZFTOHCMGI-UHFFFAOYSA-N -1 0 305.294 -0.321 20 0 DBADRM CN(c1ncc(C(=O)[O-])cn1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000380473854 971702064 /nfs/dbraw/zinc/70/20/64/971702064.db2.gz RTUDDGHAWBEHRV-VIFPVBQESA-N -1 0 300.340 -0.355 20 0 DBADRM CCOC(=O)CCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001590377529 950934113 /nfs/dbraw/zinc/93/41/13/950934113.db2.gz MYNUUUWBMOUSFU-SNVBAGLBSA-N -1 0 314.338 -0.088 20 0 DBADRM O=C([O-])CC1(C(=O)OCCN2CCNC2=O)CCOCC1 ZINC001594978233 950953969 /nfs/dbraw/zinc/95/39/69/950953969.db2.gz PAIDDDIANIABPJ-UHFFFAOYSA-N -1 0 300.311 -0.174 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCCCc2nnc[nH]2)C1 ZINC000319459328 950958775 /nfs/dbraw/zinc/95/87/75/950958775.db2.gz LBVQMPKPLUKWQP-ZDUSSCGKSA-N -1 0 311.342 -0.130 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@H](O)C2CCOCC2)CCOCC1 ZINC001594978659 950960503 /nfs/dbraw/zinc/96/05/03/950960503.db2.gz RADTZTLNCFTFPX-GFCCVEGCSA-N -1 0 301.339 -0.086 20 0 DBADRM CCOC(=O)COCCNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001590648321 950962412 /nfs/dbraw/zinc/96/24/12/950962412.db2.gz GPWKRVSUQYSAMD-QWRGUYRKSA-N -1 0 317.338 -0.048 20 0 DBADRM CCOC(=O)N[C@H]1CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001590883840 951013357 /nfs/dbraw/zinc/01/33/57/951013357.db2.gz DYPXDSSFNGFYKQ-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM CCOC(=O)[C@H](C)N(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001590958076 951027663 /nfs/dbraw/zinc/02/76/63/951027663.db2.gz JFTUXFBKNNUVPW-IUCAKERBSA-N -1 0 308.356 -0.336 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC001594987917 951031578 /nfs/dbraw/zinc/03/15/78/951031578.db2.gz OABKUDNFEQQMJT-RVMXOQNASA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)C1 ZINC001594988189 951033653 /nfs/dbraw/zinc/03/36/53/951033653.db2.gz XHTSCUJRBPQUTE-JRPNMDOOSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)c2cnn(C[C@@H](O)CO)c2)C1 ZINC001594993257 951053360 /nfs/dbraw/zinc/05/33/60/951053360.db2.gz WDGKHHUBVHIDRT-ZYHUDNBSSA-N -1 0 311.338 -0.437 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NC[C@H]2CCS(=O)(=O)C2)CO1 ZINC001595001157 951127313 /nfs/dbraw/zinc/12/73/13/951127313.db2.gz KFJQNEFSJAODBF-GMTAPVOTSA-N -1 0 319.379 -0.193 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NCC[C@]2(O)CCOC2)CO1 ZINC001595001941 951140081 /nfs/dbraw/zinc/14/00/81/951140081.db2.gz QMSUHDOUFYTDSN-GYSYKLTISA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NCC[C@]2(O)CCOC2)CO1 ZINC001595001977 951141702 /nfs/dbraw/zinc/14/17/02/951141702.db2.gz QMSUHDOUFYTDSN-WDMOLILDSA-N -1 0 301.339 -0.086 20 0 DBADRM CCO[C@@H](C(=O)N(CCC(=O)OC)CC(=O)[O-])[C@H]1CCOC1 ZINC001591531648 951158035 /nfs/dbraw/zinc/15/80/35/951158035.db2.gz NBHZAFWUIWVEJO-GXFFZTMASA-N -1 0 317.338 -0.096 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1c(Br)nnn1C ZINC000380894429 971723392 /nfs/dbraw/zinc/72/33/92/971723392.db2.gz KXVHXFHUEWQGRU-UHFFFAOYSA-N -1 0 321.131 -0.249 20 0 DBADRM CCO[C@@H]1C[C@](NC(=O)[C@H](OC)C(=O)[O-])(C(=O)OC)C1(C)C ZINC001591750579 951188203 /nfs/dbraw/zinc/18/82/03/951188203.db2.gz FNFHZFMCAWTMOA-ITMYJUKJSA-N -1 0 317.338 -0.051 20 0 DBADRM CCO[C@@H]1C[C@@H]1c1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1 ZINC001591762220 951205358 /nfs/dbraw/zinc/20/53/58/951205358.db2.gz OIUQDZRPGWHJGX-POYBYMJQSA-N -1 0 322.277 -0.024 20 0 DBADRM CCO[C@H]1CCCN(C(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC001591764980 951214882 /nfs/dbraw/zinc/21/48/82/951214882.db2.gz IMVAGGDDDYIIFA-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001591765278 951220394 /nfs/dbraw/zinc/22/03/94/951220394.db2.gz RESNMTIRVGBLBH-GARJFASQSA-N -1 0 314.338 -0.770 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC000383303225 951246324 /nfs/dbraw/zinc/24/63/24/951246324.db2.gz QMKWPGSHJBBFOA-SECBINFHSA-N -1 0 304.324 -0.749 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000383870429 951261050 /nfs/dbraw/zinc/26/10/50/951261050.db2.gz ZNQHXOPMEBIORM-SECBINFHSA-N -1 0 307.372 -0.762 20 0 DBADRM CCON(C)C(=O)CNC(=O)N(CCOC)CCC(=O)[O-] ZINC001591998514 951279008 /nfs/dbraw/zinc/27/90/08/951279008.db2.gz ZHRGOPFSJPASPG-UHFFFAOYSA-N -1 0 305.331 -0.471 20 0 DBADRM COCC[C@H](COC)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000387025739 951310378 /nfs/dbraw/zinc/31/03/78/951310378.db2.gz ZRTBZOJGSUUSIU-LLVKDONJSA-N -1 0 324.399 -0.331 20 0 DBADRM Cc1cc(C)n(CCCNC(=O)c2cn(CC(=O)[O-])nn2)n1 ZINC000389771366 951358535 /nfs/dbraw/zinc/35/85/35/951358535.db2.gz XCUGNWRSTUGVTE-UHFFFAOYSA-N -1 0 306.326 -0.004 20 0 DBADRM O=C([O-])CCCCC(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001595032022 951378941 /nfs/dbraw/zinc/37/89/41/951378941.db2.gz QXOHBDBJXRHYCZ-CQSZACIVSA-N -1 0 300.355 -0.463 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000391461000 951397989 /nfs/dbraw/zinc/39/79/89/951397989.db2.gz CNYZAOGCUCNKFP-UHFFFAOYSA-N -1 0 321.333 -0.093 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001595041255 951426670 /nfs/dbraw/zinc/42/66/70/951426670.db2.gz XCWAWFLMYQYSDT-CXWACVEQSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])CCCCNC(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001595043028 951430378 /nfs/dbraw/zinc/43/03/78/951430378.db2.gz HVAPHKHFFKPHRK-LLVKDONJSA-N -1 0 308.356 -0.910 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCC[C@@H](O)CC2)CC1 ZINC000393225781 951431541 /nfs/dbraw/zinc/43/15/41/951431541.db2.gz YGISTKXDHZHXQF-LLVKDONJSA-N -1 0 306.384 -0.125 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC000394299547 951450969 /nfs/dbraw/zinc/45/09/69/951450969.db2.gz SSZHNLNAZHGELH-CBAPKCEASA-N -1 0 304.324 -0.749 20 0 DBADRM O=C([O-])CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1CCOCC1 ZINC001595053385 951482442 /nfs/dbraw/zinc/48/24/42/951482442.db2.gz NPPGCVXXKAZWKZ-JTQLQIEISA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cccc3nccnc32)CC1 ZINC000396747745 951486055 /nfs/dbraw/zinc/48/60/55/951486055.db2.gz PUTNBXMKWGLRIH-UHFFFAOYSA-N -1 0 314.301 -0.001 20 0 DBADRM N#Cc1ccccc1OCC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000396751787 951486148 /nfs/dbraw/zinc/48/61/48/951486148.db2.gz XETLKVUEQWQFOD-UHFFFAOYSA-N -1 0 317.301 -0.308 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCCC(=O)NC1CCCCC1 ZINC001595055791 951496131 /nfs/dbraw/zinc/49/61/31/951496131.db2.gz GROUTMDLIUIOIH-UHFFFAOYSA-N -1 0 313.354 -0.468 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC001595055814 951496395 /nfs/dbraw/zinc/49/63/95/951496395.db2.gz HMEBZSCODKZWHH-VIFPVBQESA-N -1 0 300.311 -0.811 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC1CCC2(CC1)OCCO2 ZINC001595055881 951497839 /nfs/dbraw/zinc/49/78/39/951497839.db2.gz KAFCRPWDOFGTTP-UHFFFAOYSA-N -1 0 300.311 -0.621 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000397012177 951498366 /nfs/dbraw/zinc/49/83/66/951498366.db2.gz IXDDYVZXHZQGCS-VWYCJHECSA-N -1 0 318.395 -0.525 20 0 DBADRM O=C([O-])CCc1cccc(NC(=O)C(=O)N2CCNC(=O)C2)c1 ZINC001595063432 951523906 /nfs/dbraw/zinc/52/39/06/951523906.db2.gz YPPGCWAYJDTOOO-UHFFFAOYSA-N -1 0 319.317 -0.399 20 0 DBADRM O=C([O-])CN(C(=O)CNC(=O)c1ccncc1)C1CCOCC1 ZINC001595067658 951572695 /nfs/dbraw/zinc/57/26/95/951572695.db2.gz XZEQWGDJJNPNGM-UHFFFAOYSA-N -1 0 321.333 -0.096 20 0 DBADRM CC(C)C[C@H](CNC(=O)NC[C@H](C)S(N)(=O)=O)C(=O)[O-] ZINC000398319210 951588075 /nfs/dbraw/zinc/58/80/75/951588075.db2.gz HIKLZTLHFWZSJD-DTWKUNHWSA-N -1 0 309.388 -0.291 20 0 DBADRM CCC(CC)(CNC(=O)NC[C@H](C)S(N)(=O)=O)C(=O)[O-] ZINC000398340520 951588309 /nfs/dbraw/zinc/58/83/09/951588309.db2.gz RKYWOQVYAMRKIU-QMMMGPOBSA-N -1 0 309.388 -0.146 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC[C@@H]([C@H](O)C(F)(F)F)C2)C1=O ZINC001595072153 951603614 /nfs/dbraw/zinc/60/36/14/951603614.db2.gz NRUBXUMLSYKLIU-WEDXCCLWSA-N -1 0 310.272 -0.083 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)C1=O ZINC001595072148 951603932 /nfs/dbraw/zinc/60/39/32/951603932.db2.gz NRUBXUMLSYKLIU-KHQFGBGNSA-N -1 0 310.272 -0.083 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000398827885 951612343 /nfs/dbraw/zinc/61/23/43/951612343.db2.gz GUZYBYOFNLZYGZ-MXWKQRLJSA-N -1 0 318.395 -0.668 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCn3c(nnc3C(F)F)C2)C1=O ZINC001595073696 951617356 /nfs/dbraw/zinc/61/73/56/951617356.db2.gz FJXMGKDFJCAJGX-SSDOTTSWSA-N -1 0 315.280 -0.283 20 0 DBADRM O=C([O-])CN1CC[C@H]([N@@H+]2CCC[C@H](N3CCOCC3)C2)C1=O ZINC001595073775 951618066 /nfs/dbraw/zinc/61/80/66/951618066.db2.gz HSELSSGEOVAHPT-STQMWFEESA-N -1 0 311.382 -0.532 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)C1=O ZINC001595073851 951619114 /nfs/dbraw/zinc/61/91/14/951619114.db2.gz JYGLTADWOZECNX-DCAQKATOSA-N -1 0 316.379 -0.962 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCOC[C@H]2[C@H]2CCCC2=O)C1=O ZINC001595074234 951626560 /nfs/dbraw/zinc/62/65/60/951626560.db2.gz OYKVGYJJOWAGCO-WOPDTQHZSA-N -1 0 310.350 -0.258 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCOC[C@@H]2[C@@H]2CCCC2=O)C1=O ZINC001595074232 951627102 /nfs/dbraw/zinc/62/71/02/951627102.db2.gz OYKVGYJJOWAGCO-SDDRHHMPSA-N -1 0 310.350 -0.258 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCNC(=O)c3ccccc32)C1=O ZINC001595074188 951627779 /nfs/dbraw/zinc/62/77/79/951627779.db2.gz NFLCXJLIUWRVOD-LBPRGKRZSA-N -1 0 303.318 -0.078 20 0 DBADRM C[C@@H]1CC[C@@H](O)CN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000399233419 951637163 /nfs/dbraw/zinc/63/71/63/951637163.db2.gz GRERWPGKGZJSPU-MWLCHTKSSA-N -1 0 306.384 -0.127 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000400136730 951644401 /nfs/dbraw/zinc/64/44/01/951644401.db2.gz UCWBGILMKBNITB-IUCAKERBSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@H](CN(C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400127537 951644435 /nfs/dbraw/zinc/64/44/35/951644435.db2.gz OXSOVLPBUUUSEC-ZJUUUORDSA-N -1 0 321.399 -0.228 20 0 DBADRM O=C([O-])C[NH+]1CCC(NC(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001595078858 951663415 /nfs/dbraw/zinc/66/34/15/951663415.db2.gz CJGDSWKYTLEWPR-UHFFFAOYSA-N -1 0 319.321 -0.699 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCCO[C@@H]2CCOC2)C1=O ZINC001595081440 951683321 /nfs/dbraw/zinc/68/33/21/951683321.db2.gz AAJIMWNQBKISJF-GHMZBOCLSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCCCn2ccnc2)C1=O ZINC001595081617 951685506 /nfs/dbraw/zinc/68/55/06/951685506.db2.gz BYXDVVJGASDOPD-LLVKDONJSA-N -1 0 308.338 -0.287 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@H](CO)c2ccccn2)C1=O ZINC001595082221 951693939 /nfs/dbraw/zinc/69/39/39/951693939.db2.gz DGYLFRGXSZRZOK-ZYHUDNBSSA-N -1 0 321.333 -0.446 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)c2nccn3ccnc23)C1=O ZINC001595082481 951698169 /nfs/dbraw/zinc/69/81/69/951698169.db2.gz SGMKCKDNDBJFGP-QMMMGPOBSA-N -1 0 304.262 -0.428 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCc2cc(=O)c(O)co2)C1=O ZINC001595083072 951705997 /nfs/dbraw/zinc/70/59/97/951705997.db2.gz OAFHAPSNFUFVND-VIFPVBQESA-N -1 0 324.289 -0.715 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@H]2CCc3c[nH]nc3C2)C1=O ZINC001595083409 951709319 /nfs/dbraw/zinc/70/93/19/951709319.db2.gz KTBWQDOLCBWBJU-WDEREUQCSA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCO[C@H](CF)C2)C1=O ZINC001595083981 951714119 /nfs/dbraw/zinc/71/41/19/951714119.db2.gz NNRRHHLCDIYLAV-NXEZZACHSA-N -1 0 302.302 -0.494 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCCc2cnccn2)C1=O ZINC001595084967 951719514 /nfs/dbraw/zinc/71/95/14/951719514.db2.gz ZKNBWRNCUCTVHD-NSHDSACASA-N -1 0 306.322 -0.542 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)OCCn2ccccc2=O)C1=O ZINC001595086329 951732035 /nfs/dbraw/zinc/73/20/35/951732035.db2.gz BPHUBWGIRPCMRE-LLVKDONJSA-N -1 0 322.317 -0.285 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCC[C@@H](CO)CC2)C1=O ZINC001595086594 951735287 /nfs/dbraw/zinc/73/52/87/951735287.db2.gz LPLQSYFXYNDROO-VXGBXAGGSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCN(C3CC3)C(=O)C2)C1=O ZINC001595087028 951741493 /nfs/dbraw/zinc/74/14/93/951741493.db2.gz QCPYKCVQGJTEJE-LLVKDONJSA-N -1 0 323.349 -0.857 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCC3(C2)OCCO3)C1=O ZINC001595087616 951748478 /nfs/dbraw/zinc/74/84/78/951748478.db2.gz WNCRRDQWEHDEBG-JTQLQIEISA-N -1 0 312.322 -0.715 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1=O ZINC001595089434 951757691 /nfs/dbraw/zinc/75/76/91/951757691.db2.gz DMPHIDZQDXMQGX-VHSXEESVSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1=O ZINC001595089433 951757891 /nfs/dbraw/zinc/75/78/91/951757891.db2.gz DMPHIDZQDXMQGX-UWVGGRQHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1=O ZINC001595090773 951770925 /nfs/dbraw/zinc/77/09/25/951770925.db2.gz SDXNANXCBRIPRM-ZJUUUORDSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N2CC=C[C@@H]2CO)C1=O ZINC001595090880 951773163 /nfs/dbraw/zinc/77/31/63/951773163.db2.gz UDCINUCHQWGAIQ-MNOVXSKESA-N -1 0 311.338 -0.606 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NC[C@H]2C[C@@H](O)C2)C1=O ZINC001595091548 951780006 /nfs/dbraw/zinc/78/00/06/951780006.db2.gz SBXYOBCLUQAAJB-OUAUKWLOSA-N -1 0 313.354 -0.478 20 0 DBADRM O=C([O-])CNC(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001595096929 951824432 /nfs/dbraw/zinc/82/44/32/951824432.db2.gz JAPNDLLXRWTXGH-ONGXEEELSA-N -1 0 307.224 -0.002 20 0 DBADRM O=C([O-])CNC(=O)CN1CCn2c(nnc2C2CCCC2)C1 ZINC001595098434 951839641 /nfs/dbraw/zinc/83/96/41/951839641.db2.gz OOFXIIVRQXPIOS-UHFFFAOYSA-N -1 0 307.354 -0.048 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1CCCN1CC(F)(F)F ZINC001595098728 951843473 /nfs/dbraw/zinc/84/34/73/951843473.db2.gz MNZYBEPABGGGMV-ZETCQYMHSA-N -1 0 312.244 -0.243 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccccc1-n1ccnn1 ZINC001595100407 951851729 /nfs/dbraw/zinc/85/17/29/951851729.db2.gz WBZIRTJTSRMMRY-UHFFFAOYSA-N -1 0 304.262 -0.375 20 0 DBADRM O=C([O-])COCC(=O)NCc1nc(CN2CCCCC2)no1 ZINC001595107306 951886141 /nfs/dbraw/zinc/88/61/41/951886141.db2.gz RVIXFBSRKNGQQP-UHFFFAOYSA-N -1 0 312.326 -0.227 20 0 DBADRM O=C([O-])COCC(=O)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC001595108422 951901072 /nfs/dbraw/zinc/90/10/72/951901072.db2.gz WLBJBTUIQVRVKN-MRVPVSSYSA-N -1 0 314.260 -0.533 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCC[C@@H](OC(F)F)C1 ZINC001595112064 951911178 /nfs/dbraw/zinc/91/11/78/951911178.db2.gz HHCYBKLBKLYNNB-MRVPVSSYSA-N -1 0 324.280 -0.566 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CC[C@H](c2ccco2)C1 ZINC001595112085 951911274 /nfs/dbraw/zinc/91/12/74/951911274.db2.gz IOZVEVZNESIJOI-JTQLQIEISA-N -1 0 310.306 -0.187 20 0 DBADRM O=C([O-])COCCOCCN1C(=O)[C@@H]2[C@H]3CC[C@H](C3)N2C1=O ZINC001595112866 951918673 /nfs/dbraw/zinc/91/86/73/951918673.db2.gz MQTFXZHIMGDVBW-UMNHJUIQSA-N -1 0 312.322 -0.081 20 0 DBADRM O=C([O-])COCCOCCN1C(=O)[C@@H]2CCCCN2C1=O ZINC001595112888 951919629 /nfs/dbraw/zinc/91/96/29/951919629.db2.gz NYEPQTXVJCGQJL-JTQLQIEISA-N -1 0 300.311 -0.079 20 0 DBADRM Cc1csc(C(=O)[O-])c1S(=O)(=O)N1CC(C(N)=O)C1 ZINC000381914359 971787750 /nfs/dbraw/zinc/78/77/50/971787750.db2.gz DBFQGZBFYROFOF-UHFFFAOYSA-N -1 0 304.349 -0.139 20 0 DBADRM O=C([O-])COCCOCCNS(=O)(=O)N1CCCCC1 ZINC001595117140 951949241 /nfs/dbraw/zinc/94/92/41/951949241.db2.gz ZHRITARQFKRIBQ-UHFFFAOYSA-N -1 0 310.372 -0.576 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1Cc2ccccc2NC(=O)C1 ZINC001595123650 951988838 /nfs/dbraw/zinc/98/88/38/951988838.db2.gz MANLQCVJKUIILI-UHFFFAOYSA-N -1 0 312.347 -0.060 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC(CCO)(CCO)CC1 ZINC001595123848 951992723 /nfs/dbraw/zinc/99/27/23/951992723.db2.gz RALBESYXWIADSC-UHFFFAOYSA-N -1 0 323.411 -0.667 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN[C@@H](CO)c1ccc(F)cc1 ZINC001595124684 952002444 /nfs/dbraw/zinc/00/24/44/952002444.db2.gz WMALEQOFJLQTFJ-NSHDSACASA-N -1 0 305.327 -0.052 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN[C@H](CO)c1ccc(F)cc1 ZINC001595124682 952002551 /nfs/dbraw/zinc/00/25/51/952002551.db2.gz WMALEQOFJLQTFJ-LLVKDONJSA-N -1 0 305.327 -0.052 20 0 DBADRM O=C([O-])CS(=O)(=O)CCNCc1nnc2n1CCCCC2 ZINC001595125445 952012250 /nfs/dbraw/zinc/01/22/50/952012250.db2.gz UEODQBUVXRBQJA-UHFFFAOYSA-N -1 0 316.383 -0.407 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC[C@@H]3CCNC(=O)[C@H]32)nn1 ZINC001595141570 952082527 /nfs/dbraw/zinc/08/25/27/952082527.db2.gz BILLUERCJKJMFV-KCJUWKMLSA-N -1 0 307.310 -0.897 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)nn1 ZINC001595141980 952085759 /nfs/dbraw/zinc/08/57/59/952085759.db2.gz GGWOYVJQPMXVBY-SNVBAGLBSA-N -1 0 321.337 -0.553 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@H](CO)Cc2ccccc2)nn1 ZINC001595142046 952087253 /nfs/dbraw/zinc/08/72/53/952087253.db2.gz JWZGUEZYQPTQGD-GFCCVEGCSA-N -1 0 318.333 -0.056 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)nn1 ZINC001595142520 952092120 /nfs/dbraw/zinc/09/21/20/952092120.db2.gz MPXYJJKYQSNKIN-IONNQARKSA-N -1 0 322.243 -0.110 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CCN(C3CC3)CC2)n1 ZINC001595147464 952119547 /nfs/dbraw/zinc/11/95/47/952119547.db2.gz DBEWMPMVPUZFGQ-UHFFFAOYSA-N -1 0 321.337 -0.787 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@@H](CO)C2CCC2)n1 ZINC001595147572 952120327 /nfs/dbraw/zinc/12/03/27/952120327.db2.gz GHZAOLRFLJAESE-VIFPVBQESA-N -1 0 310.310 -0.817 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)cn1 ZINC001595147742 952122329 /nfs/dbraw/zinc/12/23/29/952122329.db2.gz DEBDLGYITWFDCT-VIFPVBQESA-N -1 0 320.309 -0.152 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CCO[C@@H](CF)C2)n1 ZINC001595147916 952123419 /nfs/dbraw/zinc/12/34/19/952123419.db2.gz KPDLRADTMACWGA-QMMMGPOBSA-N -1 0 314.273 -0.897 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@@H]2CCCOCC2)n1 ZINC001595148649 952129402 /nfs/dbraw/zinc/12/94/02/952129402.db2.gz TYEDFLGIWOPNFH-SECBINFHSA-N -1 0 310.310 -0.409 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCc2ccncc2)n1 ZINC001595151152 952132289 /nfs/dbraw/zinc/13/22/89/952132289.db2.gz HAFQCCDKTMKMCL-UHFFFAOYSA-N -1 0 303.278 -0.382 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCCCN2CCCC2=O)c1=O ZINC001595154460 952157070 /nfs/dbraw/zinc/15/70/70/952157070.db2.gz HSBUUDJPVPGJSZ-UHFFFAOYSA-N -1 0 321.333 -0.325 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@H]2CCC3(C2)OCCO3)c1=O ZINC001595154672 952157912 /nfs/dbraw/zinc/15/79/12/952157912.db2.gz JJOGTLNANWFYLO-SNVBAGLBSA-N -1 0 322.317 -0.042 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCC[C@H]2C2OCCO2)c1=O ZINC001595154776 952159271 /nfs/dbraw/zinc/15/92/71/952159271.db2.gz OEFJWMOCBSTCTH-NSHDSACASA-N -1 0 322.317 -0.090 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCc3nccnc3C2)c1=O ZINC001595155537 952164584 /nfs/dbraw/zinc/16/45/84/952164584.db2.gz XTOMRXUOIDXHFG-UHFFFAOYSA-N -1 0 314.301 -0.079 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NC[C@@H](O)c2cnc[nH]2)c1=O ZINC001595155784 952166280 /nfs/dbraw/zinc/16/62/80/952166280.db2.gz XBCKQWVHHXEQRB-SNVBAGLBSA-N -1 0 306.278 -0.881 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@H]2CCCCNC2=O)c1=O ZINC001595155770 952166292 /nfs/dbraw/zinc/16/62/92/952166292.db2.gz WMLOAJWDXGQAEM-JTQLQIEISA-N -1 0 307.306 -0.669 20 0 DBADRM CC[C@@](COC)(NS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000382393776 971812118 /nfs/dbraw/zinc/81/21/18/971812118.db2.gz XIFPXQATGRWYMK-NSHDSACASA-N -1 0 305.356 -0.113 20 0 DBADRM O=C([O-])[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cccnc1 ZINC001595164877 952206336 /nfs/dbraw/zinc/20/63/36/952206336.db2.gz KIASEERXLNEQDV-JTQLQIEISA-N -1 0 313.335 -0.565 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCc1cnn(CCF)c1 ZINC001595169182 952217899 /nfs/dbraw/zinc/21/78/99/952217899.db2.gz GXTXWHDUBHLOGC-JTQLQIEISA-N -1 0 320.346 -0.264 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@H](O)c1ccco1 ZINC001595170083 952222484 /nfs/dbraw/zinc/22/24/84/952222484.db2.gz ZJLORCBHTFGPCR-IUCAKERBSA-N -1 0 304.324 -0.304 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCN(CCn2cncn2)CC1 ZINC001595173129 952227740 /nfs/dbraw/zinc/22/77/40/952227740.db2.gz CMLWNMTZHBUOPO-NWDGAFQWSA-N -1 0 307.354 -0.467 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC001595173705 952233530 /nfs/dbraw/zinc/23/35/30/952233530.db2.gz XYMVVYJZKCFVEC-DTWKUNHWSA-N -1 0 309.326 -0.489 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCN(CC(F)(F)CO)CC1 ZINC001595177652 952241019 /nfs/dbraw/zinc/24/10/19/952241019.db2.gz OYRLNTJYAZIACO-NXEZZACHSA-N -1 0 306.309 -0.131 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCCN2CCOCC2)C1 ZINC001595201509 952315486 /nfs/dbraw/zinc/31/54/86/952315486.db2.gz JBDOOCFHXFVGJL-XYPYZODXSA-N -1 0 306.384 -0.509 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1CCOC1CCC1)C2 ZINC001595202899 952317218 /nfs/dbraw/zinc/31/72/18/952317218.db2.gz IYDHGOALVJLMFS-QMTHXVAHSA-N -1 0 323.353 -0.220 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)[C@H]1C[C@@H]3CC[C@H]1O3)C2 ZINC001595203203 952318530 /nfs/dbraw/zinc/31/85/30/952318530.db2.gz PKGMHQGXPFJGJL-OOTJXSFTSA-N -1 0 317.363 -0.331 20 0 DBADRM O=C([O-])c1c[nH]nc1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001595206064 952325987 /nfs/dbraw/zinc/32/59/87/952325987.db2.gz XBSGRSGOUNHJDE-KOLCDFICSA-N -1 0 324.337 -0.074 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CC(=O)N(CC(F)(F)F)C2)[nH]n1 ZINC001595207552 952340781 /nfs/dbraw/zinc/34/07/81/952340781.db2.gz XEOILMMSNLFETE-UHFFFAOYSA-N -1 0 306.200 -0.088 20 0 DBADRM O=C([O-])c1cc(NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)ccn1 ZINC001595210162 952360662 /nfs/dbraw/zinc/36/06/62/952360662.db2.gz OADWXVRMSWPDFH-OCAPTIKFSA-N -1 0 304.262 -0.484 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CC3(C2)C[C@H](O)CNC3=O)cn1 ZINC001595214051 952363895 /nfs/dbraw/zinc/36/38/95/952363895.db2.gz HBVQDAWQDPYLJV-VIFPVBQESA-N -1 0 305.290 -0.897 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC000383285534 971860800 /nfs/dbraw/zinc/86/08/00/971860800.db2.gz JPZMVAQRGIPLDX-BBBLOLIVSA-N -1 0 305.352 -0.346 20 0 DBADRM COC(=O)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000383583511 971878384 /nfs/dbraw/zinc/87/83/84/971878384.db2.gz IOFYRZAOMUJXRF-SSDOTTSWSA-N -1 0 304.324 -0.047 20 0 DBADRM COCC(COC)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000384169936 971914519 /nfs/dbraw/zinc/91/45/19/971914519.db2.gz ADEHUNZWDQRLOQ-UHFFFAOYSA-N -1 0 306.340 -0.337 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NC[C@H](O)C2CCC2)c1 ZINC001594738001 953353678 /nfs/dbraw/zinc/35/36/78/953353678.db2.gz DZEKPHXRYDYKGV-NSHDSACASA-N -1 0 307.306 -0.005 20 0 DBADRM Cc1cc(CS(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)no1 ZINC000402522080 953355199 /nfs/dbraw/zinc/35/51/99/953355199.db2.gz KYHWAZVABHZTKY-JTQLQIEISA-N -1 0 314.323 -0.038 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)c1cnc(C(=O)[O-])cn1 ZINC001593355401 953358652 /nfs/dbraw/zinc/35/86/52/953358652.db2.gz ZVDLSWLIWUITAZ-UHFFFAOYSA-N -1 0 303.296 -0.729 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)CCC1 ZINC001594738922 953360589 /nfs/dbraw/zinc/36/05/89/953360589.db2.gz HNQTUCSFZSUTRX-QJHLZDNFSA-N -1 0 314.363 -0.911 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CCOCCO)C1 ZINC001589265818 953369643 /nfs/dbraw/zinc/36/96/43/953369643.db2.gz LVDADZIVBMLLHS-GHMZBOCLSA-N -1 0 316.354 -0.977 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2cnn(C)c2)C1 ZINC001589266131 953370852 /nfs/dbraw/zinc/37/08/52/953370852.db2.gz NLRVGRKZNXGBEZ-JQWIXIFHSA-N -1 0 322.365 -0.052 20 0 DBADRM O=C([O-])C1(CNC(=O)N2C[C@@H]3COC[C@H](C2)O3)CCOCC1 ZINC001594742799 953371025 /nfs/dbraw/zinc/37/10/25/953371025.db2.gz ASZJAWFYVYVFTR-PHIMTYICSA-N -1 0 314.338 -0.323 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001593460562 953371620 /nfs/dbraw/zinc/37/16/20/953371620.db2.gz LSSJIZNDPIOBCF-NRFANRHFSA-N -1 0 318.395 -0.416 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@H](O)[C@@H](F)C2)C1 ZINC001589266806 953375403 /nfs/dbraw/zinc/37/54/03/953375403.db2.gz XJSYPIUZDBJVRN-RCWTZXSCSA-N -1 0 316.329 -0.513 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCc2cn(C)cn2)C1 ZINC001589266830 953376975 /nfs/dbraw/zinc/37/69/75/953376975.db2.gz XWOSMRQTSSJBAC-GHMZBOCLSA-N -1 0 322.365 -0.352 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCC23COCCN2CCOC3)C1 ZINC001594746383 953391213 /nfs/dbraw/zinc/39/12/13/953391213.db2.gz WDWPKVPCRJHQNG-NWDGAFQWSA-N -1 0 312.366 -0.295 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=NN(CCO)C(=O)CC2)C1 ZINC001589268936 953392835 /nfs/dbraw/zinc/39/28/35/953392835.db2.gz PRLCGYNPPNBBFJ-UWVGGRQHSA-N -1 0 311.338 -0.474 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)NC(CO)CO)O2 ZINC001594748450 953400981 /nfs/dbraw/zinc/40/09/81/953400981.db2.gz JXRULZRNNCRWDC-SLYADPJGSA-N -1 0 302.327 -0.949 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCC[C@]2(O)CCOC2)c1 ZINC001594754145 953458398 /nfs/dbraw/zinc/45/83/98/953458398.db2.gz JVDAAXWZJPFQFK-HNNXBMFYSA-N -1 0 322.317 -0.019 20 0 DBADRM O=C(NCCCN1CCCS1(=O)=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594757017 953469311 /nfs/dbraw/zinc/46/93/11/953469311.db2.gz XVPROLFXWCYTPW-MGCOHNPYSA-N -1 0 319.383 -0.426 20 0 DBADRM O=C([O-])c1cc(NC(=O)NCCN2C(=O)CNC2=O)ccn1 ZINC001594758510 953487140 /nfs/dbraw/zinc/48/71/40/953487140.db2.gz UXGRRBLITPGHJK-UHFFFAOYSA-N -1 0 307.266 -0.547 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)NCCCn2ccnc2)C1 ZINC001594758644 953490910 /nfs/dbraw/zinc/49/09/10/953490910.db2.gz VTSAEAMODXBCRC-NSHDSACASA-N -1 0 308.338 -0.287 20 0 DBADRM O=C([O-])C1(CNc2ccc(C(=O)NCCO)nn2)CCOCC1 ZINC001594758798 953494057 /nfs/dbraw/zinc/49/40/57/953494057.db2.gz ITUXVPQAHFZYQO-UHFFFAOYSA-N -1 0 324.337 -0.508 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)NCCO[C@@H]2CCOC2)C1 ZINC001594758907 953495905 /nfs/dbraw/zinc/49/59/05/953495905.db2.gz PIWSLLIJIGNYIU-WDEREUQCSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C(NCCO[C@H]1CC1(F)F)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594758969 953497087 /nfs/dbraw/zinc/49/70/87/953497087.db2.gz SOAWANZUJMPMFZ-RNJXMRFFSA-N -1 0 306.265 -0.494 20 0 DBADRM O=C(NCCOCC(F)(F)F)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594762681 953508523 /nfs/dbraw/zinc/50/85/23/953508523.db2.gz RALUTAKJFNWCCU-LJGSYFOKSA-N -1 0 312.244 -0.339 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCc2cccc(O)c2)C1 ZINC001594763301 953520165 /nfs/dbraw/zinc/52/01/65/953520165.db2.gz WQJHIBYNQRECNR-LLVKDONJSA-N -1 0 306.318 -0.016 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2ccncc2)CCO1 ZINC001594765809 953528712 /nfs/dbraw/zinc/52/87/12/953528712.db2.gz SQWGDLMCNPAJNQ-LLVKDONJSA-N -1 0 307.306 -0.948 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)NCCn1cncn1)O2 ZINC001594765877 953528855 /nfs/dbraw/zinc/52/88/55/953528855.db2.gz BLDNILQJOABFDI-CVZZAPKMSA-N -1 0 323.353 -0.010 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NCCc2nnc[nH]2)c1 ZINC001594765882 953529487 /nfs/dbraw/zinc/52/94/87/953529487.db2.gz UTJZRYQWZWYBKP-UHFFFAOYSA-N -1 0 304.266 -0.805 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nnnn2[C@H]2CCN(C)C2=O)C1 ZINC001589283986 953540556 /nfs/dbraw/zinc/54/05/56/953540556.db2.gz APOSZBSLDCVMMG-UTLUCORTSA-N -1 0 308.342 -0.377 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nnnn2[C@@H]2CCN(C)C2=O)C1 ZINC001589283984 953540594 /nfs/dbraw/zinc/54/05/94/953540594.db2.gz APOSZBSLDCVMMG-KXUCPTDWSA-N -1 0 308.342 -0.377 20 0 DBADRM CCc1[nH]ccc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001593625497 953544577 /nfs/dbraw/zinc/54/45/77/953544577.db2.gz BUKULDSHEKSAFY-JTQLQIEISA-N -1 0 300.336 -0.099 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nnnn2C[C@@H]2COCCO2)C1 ZINC001589285192 953559109 /nfs/dbraw/zinc/55/91/09/953559109.db2.gz SSLLLUBNUZOIER-OUAUKWLOSA-N -1 0 311.342 -0.365 20 0 DBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001589289653 953589000 /nfs/dbraw/zinc/58/90/00/953589000.db2.gz KYKXDNQPIAMFCP-TYNCELHUSA-N -1 0 312.366 -0.058 20 0 DBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001589289652 953589038 /nfs/dbraw/zinc/58/90/38/953589038.db2.gz KYKXDNQPIAMFCP-LALPHHSUSA-N -1 0 312.366 -0.058 20 0 DBADRM C[C@@H]1C[C@H](Cn2nnnc2N2CCO[C@H](C(=O)[O-])C2)[C@H](C)O1 ZINC001589289642 953589072 /nfs/dbraw/zinc/58/90/72/953589072.db2.gz KNXNGZGPIVEIOG-YTWAJWBKSA-N -1 0 311.342 -0.224 20 0 DBADRM C[C@@H]1C[C@H](CS(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)CCO1 ZINC001589290433 953596126 /nfs/dbraw/zinc/59/61/26/953596126.db2.gz UBEAOWPPNYUUEZ-FOGDFJRCSA-N -1 0 307.368 -0.035 20 0 DBADRM C[C@H]1C[C@@H](N2CCOCC2)CN1CCS(=O)(=O)CC(=O)[O-] ZINC001589290678 953598114 /nfs/dbraw/zinc/59/81/14/953598114.db2.gz YAIDUPLSGUACMF-NWDGAFQWSA-N -1 0 320.411 -0.719 20 0 DBADRM C[C@@H]1C[C@H](n2nnnc2N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC001589293895 953625420 /nfs/dbraw/zinc/62/54/20/953625420.db2.gz AGOMMMIPUSIDMZ-ZHSDAYTOSA-N -1 0 323.353 -0.050 20 0 DBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@H]1C(=O)[O-] ZINC000384639144 971949151 /nfs/dbraw/zinc/94/91/51/971949151.db2.gz VPMMZKFFOBKGQP-IUCAKERBSA-N -1 0 324.424 -0.267 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1nc2n(n1)CCCN2 ZINC001594787136 953681711 /nfs/dbraw/zinc/68/17/11/953681711.db2.gz KSYSUVHMJJORJI-LLVKDONJSA-N -1 0 315.333 -0.223 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cnn(C[C@H](O)CO)c1 ZINC001589303758 953717791 /nfs/dbraw/zinc/71/77/91/953717791.db2.gz CMSDBXWFOCZTSL-SCVCMEIPSA-N -1 0 311.338 -0.438 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cnn(C[C@H](O)CO)c1 ZINC001589303756 953717900 /nfs/dbraw/zinc/71/79/00/953717900.db2.gz CMSDBXWFOCZTSL-FOGDFJRCSA-N -1 0 311.338 -0.438 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)NN2CCS(=O)(=O)CC2)c1 ZINC001594801938 953745015 /nfs/dbraw/zinc/74/50/15/953745015.db2.gz KFNGWDWCGFFSRS-UHFFFAOYSA-N -1 0 314.323 -0.453 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC001594802330 953751427 /nfs/dbraw/zinc/75/14/27/953751427.db2.gz SUIOKFHOYBTVFG-HTQZYQBOSA-N -1 0 315.307 -0.941 20 0 DBADRM CCn1c2ccccc2n(CC(=O)NCC(=O)[O-])c(=O)c1=O ZINC001593658891 953775835 /nfs/dbraw/zinc/77/58/35/953775835.db2.gz OAPSTOQRPQDSHT-UHFFFAOYSA-N -1 0 305.290 -0.616 20 0 DBADRM CCn1cc(C(=O)C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001593665057 953826335 /nfs/dbraw/zinc/82/63/35/953826335.db2.gz RDMTYCDENLFXMH-SECBINFHSA-N -1 0 309.278 -0.686 20 0 DBADRM CCn1cc(CNC(=O)N2CC[C@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001593665561 953837930 /nfs/dbraw/zinc/83/79/30/953837930.db2.gz PFPNEILATAJPAY-QMMMGPOBSA-N -1 0 310.310 -0.415 20 0 DBADRM CCn1cc(CNC(=O)N2CC[C@@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001593665557 953838621 /nfs/dbraw/zinc/83/86/21/953838621.db2.gz PFPNEILATAJPAY-MRVPVSSYSA-N -1 0 310.310 -0.415 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cnc(F)c(F)c2)CCO1 ZINC001594814920 953849757 /nfs/dbraw/zinc/84/97/57/953849757.db2.gz BZIVFFJXIKNZSH-MRVPVSSYSA-N -1 0 315.232 -0.390 20 0 DBADRM O=C([O-])[C@]1(NC(=O)Nc2cnc3c(c2)CNC3=O)CCOC1 ZINC001594815347 953856753 /nfs/dbraw/zinc/85/67/53/953856753.db2.gz UASDOWUCIPHWOH-ZDUSSCGKSA-N -1 0 306.278 -0.310 20 0 DBADRM CCn1ccc(NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)n1 ZINC001593666455 953857127 /nfs/dbraw/zinc/85/71/27/953857127.db2.gz ZBJIXSFLYDSCNC-UHFFFAOYSA-N -1 0 306.282 -0.239 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N[C@H](CCO)C2CC2)c1 ZINC001594816115 953861353 /nfs/dbraw/zinc/86/13/53/953861353.db2.gz DVDSMDDDPAMUDG-LLVKDONJSA-N -1 0 307.306 -0.005 20 0 DBADRM CCn1cncc1S(=O)(=O)N(CCC(=O)OC)CC(=O)[O-] ZINC001593669726 953871193 /nfs/dbraw/zinc/87/11/93/953871193.db2.gz YJFLBGUNLTVFGZ-UHFFFAOYSA-N -1 0 319.339 -0.459 20 0 DBADRM CCn1nc(C)c(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c1C ZINC001593670166 953872404 /nfs/dbraw/zinc/87/24/04/953872404.db2.gz GEDBQYPVAJZXGS-ZDUSSCGKSA-N -1 0 312.326 -0.590 20 0 DBADRM C[C@@H](O)C[C@H]1CCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000384913734 971967336 /nfs/dbraw/zinc/96/73/36/971967336.db2.gz AHHLLRKMQZLILP-NXEZZACHSA-N -1 0 317.367 -0.108 20 0 DBADRM CCn1ncc(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001593671369 953889141 /nfs/dbraw/zinc/88/91/41/953889141.db2.gz CZLXOCHUPGVNLG-SNVBAGLBSA-N -1 0 309.326 -0.763 20 0 DBADRM CN(C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@H]1CCNC1=O ZINC001593673814 953896850 /nfs/dbraw/zinc/89/68/50/953896850.db2.gz FFLVKGACMOFQGB-JTQLQIEISA-N -1 0 323.280 -0.191 20 0 DBADRM CN(C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)C1CS(=O)(=O)C1 ZINC001593675171 953914954 /nfs/dbraw/zinc/91/49/54/953914954.db2.gz NKWKQBZHKBHLNM-SCZZXKLOSA-N -1 0 305.352 -0.488 20 0 DBADRM CN(C(=O)CNC(=O)c1cn(CC(=O)[O-])nn1)C1CCCCC1 ZINC001593675523 953920736 /nfs/dbraw/zinc/92/07/36/953920736.db2.gz CIYVJMUDTBVTSM-UHFFFAOYSA-N -1 0 323.353 -0.116 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)CCC(=O)c2ccccn2)CC1 ZINC001594826012 953940604 /nfs/dbraw/zinc/94/06/04/953940604.db2.gz WOQZOOLQQPXJLR-UHFFFAOYSA-N -1 0 319.317 -0.200 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2CCc3cccnc32)CC1 ZINC001594826028 953940828 /nfs/dbraw/zinc/94/08/28/953940828.db2.gz YSZDRGYQKLRWLG-NSHDSACASA-N -1 0 303.318 -0.133 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)C(F)(F)c2nccs2)CC1 ZINC001594826011 953941297 /nfs/dbraw/zinc/94/12/97/953941297.db2.gz WMAPDEUGTPOFSQ-UHFFFAOYSA-N -1 0 319.289 -0.010 20 0 DBADRM O=C([O-])c1cc(NC(=O)c2cnn(C[C@H](O)CO)c2)ccn1 ZINC001594826478 953942155 /nfs/dbraw/zinc/94/21/55/953942155.db2.gz PXVJTPQHCJSKKY-JTQLQIEISA-N -1 0 306.278 -0.418 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)NCCOCCOCC(=O)[O-] ZINC001589332166 953949744 /nfs/dbraw/zinc/94/97/44/953949744.db2.gz APJUKEMCTZSHSZ-SNVBAGLBSA-N -1 0 310.372 -0.577 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)C[C@H]2C[C@@H](O)C2)C[C@@H]1C(=O)[O-] ZINC001589332222 953950173 /nfs/dbraw/zinc/95/01/73/953950173.db2.gz DFXAKPSUDNTDFB-YFKTTZPYSA-N -1 0 312.366 -0.215 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ccnn2CC(F)F)CC1 ZINC001594828143 953952465 /nfs/dbraw/zinc/95/24/65/953952465.db2.gz ALHSHWUMSYMFJY-UHFFFAOYSA-N -1 0 316.264 -0.483 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N2CCN(C)CC2)[C@H]1C(=O)[O-] ZINC001589332738 953955298 /nfs/dbraw/zinc/95/52/98/953955298.db2.gz CTZBWFGHAWIZIP-GHMZBOCLSA-N -1 0 305.400 -0.336 20 0 DBADRM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001593681347 953955373 /nfs/dbraw/zinc/95/53/73/953955373.db2.gz HHCKYJGYNWTYGF-WCABBAIRSA-N -1 0 311.338 -0.021 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ncc[nH]2)C[C@@H]1C(=O)[O-] ZINC001589332784 953957319 /nfs/dbraw/zinc/95/73/19/953957319.db2.gz PNADOTZOOQSOTM-UWVGGRQHSA-N -1 0 308.338 -0.063 20 0 DBADRM CN(C)C(=O)C1(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCCC1 ZINC001593681758 953960805 /nfs/dbraw/zinc/96/08/05/953960805.db2.gz MIXMFPIQZBVKQG-SNVBAGLBSA-N -1 0 311.338 -0.019 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1CO ZINC001589333146 953961534 /nfs/dbraw/zinc/96/15/34/953961534.db2.gz ZLYLNXCTKXTQRF-NXEZZACHSA-N -1 0 300.355 -0.167 20 0 DBADRM O=C([O-])[C@@H](C(=O)N1CCC(O)(COCCO)CC1)C1CC1 ZINC001594831082 953961723 /nfs/dbraw/zinc/96/17/23/953961723.db2.gz GIQLWSJBRVAWSK-LLVKDONJSA-N -1 0 301.339 -0.540 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)[C@]2(C(=O)[O-])CCCO2)O1 ZINC001593682355 953968002 /nfs/dbraw/zinc/96/80/02/953968002.db2.gz RHSQXAHTFNVHFV-BHDSKKPTSA-N -1 0 314.338 -0.628 20 0 DBADRM CN(C)C(=O)C1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001593683849 953980732 /nfs/dbraw/zinc/98/07/32/953980732.db2.gz JRZCCQMIKNIVEO-UHFFFAOYSA-N -1 0 306.384 -0.714 20 0 DBADRM CN(C)C(=O)CCCNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593684390 953985446 /nfs/dbraw/zinc/98/54/46/953985446.db2.gz TUSDWCOETZHKEY-UHFFFAOYSA-N -1 0 322.321 -0.297 20 0 DBADRM Cn1ccc([C@@H](NC(=O)[C@H]2CCCCN(C)C2=O)C(=O)[O-])n1 ZINC001598597449 1017327072 /nfs/dbraw/zinc/32/70/72/1017327072.db2.gz CVVKUMHMXUMOMX-MWLCHTKSSA-N -1 0 308.338 -0.080 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001593686779 953992963 /nfs/dbraw/zinc/99/29/63/953992963.db2.gz HJBARTUPJZRZNI-WCBMZHEXSA-N -1 0 312.326 -0.570 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001593686776 953993329 /nfs/dbraw/zinc/99/33/29/953993329.db2.gz HJBARTUPJZRZNI-SCZZXKLOSA-N -1 0 312.326 -0.570 20 0 DBADRM CN(C)C(=O)O[C@@H]1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001593687543 953999353 /nfs/dbraw/zinc/99/93/53/953999353.db2.gz WROCQSQTJDUICI-NOZJJQNGSA-N -1 0 300.311 -0.081 20 0 DBADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001593687641 954000009 /nfs/dbraw/zinc/00/00/09/954000009.db2.gz XQYRVGWVPULGHT-HZMBPMFUSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(C)C(=O)NCCN(C)C(=O)C1(C(=O)[O-])CCOCC1 ZINC001593687685 954000269 /nfs/dbraw/zinc/00/02/69/954000269.db2.gz YJPOSAAHSFTAML-UHFFFAOYSA-N -1 0 301.343 -0.403 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001593704341 954146128 /nfs/dbraw/zinc/14/61/28/954146128.db2.gz SCVKFGKAMGYFCC-NXEZZACHSA-N -1 0 322.383 -0.736 20 0 DBADRM CN(C)S(=O)(=O)c1cc(-c2nc(CC(=O)[O-])no2)n(C)c1 ZINC001593708012 954156365 /nfs/dbraw/zinc/15/63/65/954156365.db2.gz FCKJQZBTSNDNHR-UHFFFAOYSA-N -1 0 314.323 -0.048 20 0 DBADRM CN(C)S(=O)(=O)N1CC(Nc2cccc(C(=O)[O-])n2)C1 ZINC001593708216 954158830 /nfs/dbraw/zinc/15/88/30/954158830.db2.gz KXMNOUBYOCUOKO-UHFFFAOYSA-N -1 0 300.340 -0.318 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CNC1(CC(=O)[O-])CCOCC1 ZINC001593708447 954161250 /nfs/dbraw/zinc/16/12/50/954161250.db2.gz BFINTNLKZDGPDZ-OAQYLSRUSA-N -1 0 321.399 -0.299 20 0 DBADRM C[C@@H]1CCN(c2nnnn2[C@@H]2CCN(C)C2=O)C[C@@H]1C(=O)[O-] ZINC001589362493 954161553 /nfs/dbraw/zinc/16/15/53/954161553.db2.gz OPEALSYXHKCECY-KXUCPTDWSA-N -1 0 308.342 -0.377 20 0 DBADRM C[C@@H]1CCN(c2nnnn2[C@H]2CCN(C)C2=O)C[C@H]1C(=O)[O-] ZINC001589362491 954161875 /nfs/dbraw/zinc/16/18/75/954161875.db2.gz OPEALSYXHKCECY-BBBLOLIVSA-N -1 0 308.342 -0.377 20 0 DBADRM C[C@H]1CCS(=O)(=O)CCN1CN1C[C@H](C(=O)[O-])CC1=O ZINC001589362918 954164835 /nfs/dbraw/zinc/16/48/35/954164835.db2.gz UCXDSJKDIUSNND-VHSXEESVSA-N -1 0 304.368 -0.614 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN3CCOC[C@]3(CO)C2)CC=CC1 ZINC001594849362 954167133 /nfs/dbraw/zinc/16/71/33/954167133.db2.gz OJNHFFYQKZKGHZ-CQSZACIVSA-N -1 0 310.350 -0.687 20 0 DBADRM CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC001593708783 954167793 /nfs/dbraw/zinc/16/77/93/954167793.db2.gz AFLFPCIKEGUEDI-NSHDSACASA-N -1 0 320.349 -0.303 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N(CCO)CCCO ZINC000385254896 971991445 /nfs/dbraw/zinc/99/14/45/971991445.db2.gz KPAYTGPYEXNQOG-UHFFFAOYSA-N -1 0 310.353 -0.793 20 0 DBADRM O=C([O-])C1(C(=O)N2C[C@@H]3C[C@H]2CS3)CCS(=O)(=O)CC1 ZINC001594850217 954177270 /nfs/dbraw/zinc/17/72/70/954177270.db2.gz KNRWJQWMLDNDIP-IUCAKERBSA-N -1 0 319.404 -0.018 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2nncn2C)CC[C@H]1C(=O)[O-] ZINC001589365175 954185150 /nfs/dbraw/zinc/18/51/50/954185150.db2.gz HUXVEQSKYFVPRL-NXEZZACHSA-N -1 0 323.353 -0.657 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[C@H]1C(=O)[O-] ZINC001589365596 954187808 /nfs/dbraw/zinc/18/78/08/954187808.db2.gz QZEZGPMVWCGUDD-WUHRBBMRSA-N -1 0 323.393 -0.282 20 0 DBADRM CN(C)c1cc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)ncn1 ZINC001593711423 954190507 /nfs/dbraw/zinc/19/05/07/954190507.db2.gz WHUDRBVSNABQGP-CQSZACIVSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1)C(=O)[O-] ZINC001589365783 954190727 /nfs/dbraw/zinc/19/07/27/954190727.db2.gz WARAGWJYSWAUIR-GPCCPHFNSA-N -1 0 314.338 -0.770 20 0 DBADRM CN(C)c1cc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)ncn1 ZINC001593711422 954190912 /nfs/dbraw/zinc/19/09/12/954190912.db2.gz WHUDRBVSNABQGP-AWEZNQCLSA-N -1 0 321.337 -0.196 20 0 DBADRM CN(C)c1cnc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cn1 ZINC001593712715 954195237 /nfs/dbraw/zinc/19/52/37/954195237.db2.gz MIKLSRGVZSVDBB-XPTSAGLGSA-N -1 0 306.322 -0.284 20 0 DBADRM CN(C)c1cnc(C(=O)NCCOCCOCC(=O)[O-])cn1 ZINC001593712803 954196965 /nfs/dbraw/zinc/19/69/65/954196965.db2.gz SRSRCSCBTHLDJJ-UHFFFAOYSA-N -1 0 312.326 -0.610 20 0 DBADRM CN(C)c1noc(CCC(=O)NC2(C(=O)[O-])CCOCC2)n1 ZINC001593715594 954216291 /nfs/dbraw/zinc/21/62/91/954216291.db2.gz VTDYNGYIPNTZAT-UHFFFAOYSA-N -1 0 312.326 -0.182 20 0 DBADRM CN(CC(=O)NC1(C(=O)[O-])CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001593716532 954223995 /nfs/dbraw/zinc/22/39/95/954223995.db2.gz UKPMFIXEQVFQMK-SNVBAGLBSA-N -1 0 318.395 -0.381 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@H](O)C2CCC2)CCS(=O)(=O)CC1 ZINC001594855295 954225446 /nfs/dbraw/zinc/22/54/46/954225446.db2.gz KBKZFRXSFKINML-JTQLQIEISA-N -1 0 319.379 -0.457 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCS(=O)(=O)C1 ZINC001589373686 954229631 /nfs/dbraw/zinc/22/96/31/954229631.db2.gz XBOBVFBLBSUZEO-APPZFPTMSA-N -1 0 304.324 -0.891 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)CC=CCC1 ZINC001594855768 954231613 /nfs/dbraw/zinc/23/16/13/954231613.db2.gz CIIFEJQFJVIJSK-STQMWFEESA-N -1 0 317.363 -0.537 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)CCSCC1 ZINC001594856184 954236834 /nfs/dbraw/zinc/23/68/34/954236834.db2.gz LYBCZXCINOFGAW-BBBLOLIVSA-N -1 0 303.380 -0.025 20 0 DBADRM C[C@@H]1CN(C(=O)CCN2CCCS2(=O)=O)CC[C@H]1C(=O)[O-] ZINC001589374923 954244162 /nfs/dbraw/zinc/24/41/62/954244162.db2.gz JZXNKAYMJXARKV-GHMZBOCLSA-N -1 0 318.395 -0.019 20 0 DBADRM CN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1ccccc1N ZINC001593720201 954246115 /nfs/dbraw/zinc/24/61/15/954246115.db2.gz AWZCMTWEHSYICY-UHFFFAOYSA-N -1 0 301.324 -0.910 20 0 DBADRM C[C@H]1CN(C(=O)NCCN2CCNC(=O)C2)CC[C@@H]1C(=O)[O-] ZINC001589375184 954248411 /nfs/dbraw/zinc/24/84/11/954248411.db2.gz FEZBDLMGHPAAEO-QWRGUYRKSA-N -1 0 312.370 -0.830 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NCC[C@H]2CCCS2(=O)=O)CCCO1 ZINC001594859237 954263217 /nfs/dbraw/zinc/26/32/17/954263217.db2.gz YCZFEUBOGAWGIU-SKDRFNHKSA-N -1 0 305.352 -0.296 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NC[C@@H]2CCCCS2(=O)=O)CCCO1 ZINC001594859804 954267962 /nfs/dbraw/zinc/26/79/62/954267962.db2.gz OCDKHKFMOMFZTC-CABZTGNLSA-N -1 0 305.352 -0.296 20 0 DBADRM CN(CC(C)(C)O)C(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001593724531 954270947 /nfs/dbraw/zinc/27/09/47/954270947.db2.gz XIGRKLHJUKBGOJ-UHFFFAOYSA-N -1 0 316.354 -0.787 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NCCN2CCC3(C2)OCCO3)CCCO1 ZINC001594860930 954274345 /nfs/dbraw/zinc/27/43/45/954274345.db2.gz HEZICJAUFXMPCY-AWEZNQCLSA-N -1 0 314.338 -0.815 20 0 DBADRM C[C@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[C@@H]1C(=O)[O-] ZINC001589377733 954278397 /nfs/dbraw/zinc/27/83/97/954278397.db2.gz SCXAIHGIKJFRPQ-UWVGGRQHSA-N -1 0 319.321 -0.540 20 0 DBADRM CN(CC1(CO)CC1)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593726889 954281857 /nfs/dbraw/zinc/28/18/57/954281857.db2.gz JPRKYTLAAWWDGZ-UHFFFAOYSA-N -1 0 307.306 -0.051 20 0 DBADRM CN(C[C@@H]1CCCCO1)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593729722 954310865 /nfs/dbraw/zinc/31/08/65/954310865.db2.gz MQBUMJJIJWGNEF-JTQLQIEISA-N -1 0 324.337 -0.066 20 0 DBADRM CN(C[C@H]1CCCN(C(=O)NCCC(=O)[O-])C1)S(C)(=O)=O ZINC001593729809 954311982 /nfs/dbraw/zinc/31/19/82/954311982.db2.gz QMGHDNYUBCFQHL-SNVBAGLBSA-N -1 0 321.399 -0.226 20 0 DBADRM CN(C[C@@H]1CCCOC1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001593729803 954312250 /nfs/dbraw/zinc/31/22/50/954312250.db2.gz PZRQQWYXWGIVKF-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCc1nnc2n1CCCC2 ZINC001593731133 954317722 /nfs/dbraw/zinc/31/77/22/954317722.db2.gz GBXGHKUHIZIUQI-UHFFFAOYSA-N -1 0 309.326 -0.836 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC001593731315 954319471 /nfs/dbraw/zinc/31/94/71/954319471.db2.gz KJIAPWPNAUKOMF-UHFFFAOYSA-N -1 0 318.293 -0.466 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC001593731299 954319954 /nfs/dbraw/zinc/31/99/54/954319954.db2.gz JBABDPOEADPDKH-SNVBAGLBSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H]1CN([C@H]2CCN(CC(=O)[O-])C2=O)CCN1c1cnccn1 ZINC001589395611 954365260 /nfs/dbraw/zinc/36/52/60/954365260.db2.gz LHPZMNKCWPNNTE-RYUDHWBXSA-N -1 0 319.365 -0.327 20 0 DBADRM CN(CCCn1ccnc1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593750926 954408099 /nfs/dbraw/zinc/40/80/99/954408099.db2.gz LDYVZXZMZWKROC-NSHDSACASA-N -1 0 316.383 -0.001 20 0 DBADRM C[C@@H]1CN(CCNC(=O)[C@@]2(C(=O)[O-])CCCO2)[C@@H](C)CO1 ZINC001589400099 954412619 /nfs/dbraw/zinc/41/26/19/954412619.db2.gz MIDFKTQUIWKOJF-MISXGVKJSA-N -1 0 300.355 -0.154 20 0 DBADRM O=C([O-])[C@@]1(NCc2nnnn2CC2CCOCC2)CCOC1 ZINC001594883148 954444861 /nfs/dbraw/zinc/44/48/61/954444861.db2.gz IVUZVEUQNGVIFY-CYBMUJFWSA-N -1 0 311.342 -0.567 20 0 DBADRM CN(Cc1cc(C(=O)[O-])nn1C)C[C@@H](O)CN1CCOCC1 ZINC001593755155 954445662 /nfs/dbraw/zinc/44/56/62/954445662.db2.gz GNUPRIOFYUCSMU-GFCCVEGCSA-N -1 0 312.370 -0.757 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCC1=O ZINC001589402568 954448615 /nfs/dbraw/zinc/44/86/15/954448615.db2.gz UNOJUROHFQYUIH-SECBINFHSA-N -1 0 304.368 -0.061 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@H](C)[C@H]1O ZINC001589402732 954451679 /nfs/dbraw/zinc/45/16/79/954451679.db2.gz ZEAFACQBKNXSGZ-IAZYJMLFSA-N -1 0 320.411 -0.024 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)C1 ZINC001594884946 954454384 /nfs/dbraw/zinc/45/43/84/954454384.db2.gz BBNPLHZJINBOCT-XCBNKYQSSA-N -1 0 321.293 -0.574 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCC(CN3CCNC3=O)CC2)C1 ZINC001594885057 954455293 /nfs/dbraw/zinc/45/52/93/954455293.db2.gz DQQFFOVWLWMLRL-LLVKDONJSA-N -1 0 324.337 -0.520 20 0 DBADRM C[C@@H]1CN(c2nnc([C@H]3CNC(=O)C3)n2C)CC[C@H]1C(=O)[O-] ZINC001589405251 954460112 /nfs/dbraw/zinc/46/01/12/954460112.db2.gz BCYIEVSBYMYOKO-OPRDCNLKSA-N -1 0 307.354 -0.034 20 0 DBADRM C[C@@H]1CN(c2nnc([C@H]3CNC(=O)C3)n2C)CC[C@@H]1C(=O)[O-] ZINC001589405248 954460539 /nfs/dbraw/zinc/46/05/39/954460539.db2.gz BCYIEVSBYMYOKO-BBBLOLIVSA-N -1 0 307.354 -0.034 20 0 DBADRM CN(CCn1cnnc1)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593757039 954463991 /nfs/dbraw/zinc/46/39/91/954463991.db2.gz QBWAAEWIWMLQTE-UHFFFAOYSA-N -1 0 305.294 -0.703 20 0 DBADRM CC[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000385820900 972015809 /nfs/dbraw/zinc/01/58/09/972015809.db2.gz ROUGVZWBOWUTIE-MWLCHTKSSA-N -1 0 317.367 -0.251 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)C1 ZINC001594888326 954484520 /nfs/dbraw/zinc/48/45/20/954484520.db2.gz CDGAAEPECFRGBM-YUMQZZPRSA-N -1 0 309.282 -0.498 20 0 DBADRM C[C@H]1CSCCN1C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589408360 954486485 /nfs/dbraw/zinc/48/64/85/954486485.db2.gz FEEYHDJBNBOWLB-QMMMGPOBSA-N -1 0 312.351 -0.130 20 0 DBADRM C[C@H]1Cc2n[nH]cc2CN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001589408426 954488442 /nfs/dbraw/zinc/48/84/42/954488442.db2.gz GDEYZFDNRZFTRD-VIFPVBQESA-N -1 0 301.368 -0.097 20 0 DBADRM CN(Cc1ccc[nH]1)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593761034 954492878 /nfs/dbraw/zinc/49/28/78/954492878.db2.gz LPZRMJNKRHKYPN-UHFFFAOYSA-N -1 0 305.294 -0.107 20 0 DBADRM C[C@H]1CS(=O)(=O)CCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001589409180 954502638 /nfs/dbraw/zinc/50/26/38/954502638.db2.gz UEDIAKQQTXSRCD-QMMMGPOBSA-N -1 0 313.335 -0.176 20 0 DBADRM CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001593765081 954509151 /nfs/dbraw/zinc/50/91/51/954509151.db2.gz IOSXAGJGFCUREG-UHFFFAOYSA-N -1 0 317.265 -0.889 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@@H]2Cc3ccccc3NC2=O)C1 ZINC001594890549 954518796 /nfs/dbraw/zinc/51/87/96/954518796.db2.gz JIHRGSJJKARSFS-MWLCHTKSSA-N -1 0 303.274 -0.105 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@H]2Cc3ccccc3NC2=O)C1 ZINC001594890547 954519120 /nfs/dbraw/zinc/51/91/20/954519120.db2.gz JIHRGSJJKARSFS-GXSJLCMTSA-N -1 0 303.274 -0.105 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1=O ZINC001593766986 954526062 /nfs/dbraw/zinc/52/60/62/954526062.db2.gz GDSIWASAJSEDMY-NXEZZACHSA-N -1 0 311.338 -0.066 20 0 DBADRM C[C@@H]1N(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCOC1(C)C ZINC001589412374 954527622 /nfs/dbraw/zinc/52/76/22/954527622.db2.gz HIZVROSBYLXNCB-UWVGGRQHSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@H]1NC(=O)N(CCOC(=O)c2ccc(C(=O)[O-])nc2)C1=O ZINC001589413063 954534363 /nfs/dbraw/zinc/53/43/63/954534363.db2.gz OROLXYJXGYRRHW-SSDOTTSWSA-N -1 0 307.262 -0.123 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593768862 954536057 /nfs/dbraw/zinc/53/60/57/954536057.db2.gz KONUGGGLCVUKFK-UWVGGRQHSA-N -1 0 311.338 -0.811 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCc2nc(-c3ccccn3)n[nH]2)C1 ZINC001594891721 954537900 /nfs/dbraw/zinc/53/79/00/954537900.db2.gz YAURAOYDWMMJCM-VIFPVBQESA-N -1 0 316.277 -0.288 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)C1=O ZINC001593769751 954538492 /nfs/dbraw/zinc/53/84/92/954538492.db2.gz WCNBBULFYDGSTF-HNNXBMFYSA-N -1 0 319.317 -0.003 20 0 DBADRM CN1C(=O)N[C@@H](c2nnc(N3CCC(C(=O)[O-])CC3)n2C)C1=O ZINC001593771627 954541266 /nfs/dbraw/zinc/54/12/66/954541266.db2.gz FKWNXXQGNLKQJT-QMMMGPOBSA-N -1 0 322.325 -0.661 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@@H](CO)[C@H](O)C2CCCCC2)C1 ZINC001594892087 954542248 /nfs/dbraw/zinc/54/22/48/954542248.db2.gz PNRTYJNWRAKVEH-SDDRHHMPSA-N -1 0 314.338 -0.366 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C2(C(=O)[O-])CC2)C1=O ZINC001593771812 954543459 /nfs/dbraw/zinc/54/34/59/954543459.db2.gz JVWQCYQJZYHXGU-RTHLEPHNSA-N -1 0 309.322 -0.312 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001589415633 954548114 /nfs/dbraw/zinc/54/81/14/954548114.db2.gz KBIBKFCBQONQIL-HZMBPMFUSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C1 ZINC001594892763 954548438 /nfs/dbraw/zinc/54/84/38/954548438.db2.gz VEMRKKXDLPKVPG-CRCLSJGQSA-N -1 0 320.170 -0.109 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCC2(C3(O)CCOCC3)CC2)C1 ZINC001594893071 954550586 /nfs/dbraw/zinc/55/05/86/954550586.db2.gz XWMXSTYBHVNPCW-JTQLQIEISA-N -1 0 312.322 -0.346 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCCN2C[C@H]3CCCCN3C2=O)C1 ZINC001594893048 954551266 /nfs/dbraw/zinc/55/12/66/954551266.db2.gz XMJVNLXXSZXFSO-MWLCHTKSSA-N -1 0 324.337 -0.378 20 0 DBADRM CN1C[C@@H](COC(=O)c2cccn(CC(=O)[O-])c2=O)CCC1=O ZINC001593772320 954551317 /nfs/dbraw/zinc/55/13/17/954551317.db2.gz HFDJMWWNOOPAHV-JTQLQIEISA-N -1 0 322.317 -0.042 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@@H]2COc3ccccc3C2=O)C1 ZINC001594893101 954552653 /nfs/dbraw/zinc/55/26/53/954552653.db2.gz XZGWEZWFYQKIHM-MWLCHTKSSA-N -1 0 304.258 -0.024 20 0 DBADRM CN1C[C@@H](C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1=O ZINC001593772584 954553436 /nfs/dbraw/zinc/55/34/36/954553436.db2.gz LTMXZVFRZXKVBI-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCOC[C@@H]2C[C@H]2CCOC2)C1 ZINC001594893684 954553649 /nfs/dbraw/zinc/55/36/49/954553649.db2.gz WGDITCVOBBJVOQ-SCVCMEIPSA-N -1 0 312.322 -0.130 20 0 DBADRM CN([C@H]1CCC(=O)N(C)C1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593772817 954555674 /nfs/dbraw/zinc/55/56/74/954555674.db2.gz QVBJHDWTHHJHOX-UWVGGRQHSA-N -1 0 319.383 -0.667 20 0 DBADRM CN1CC(=O)Nc2cc(C(=O)N3CCOC[C@H]3C(=O)[O-])cnc21 ZINC001593773059 954557904 /nfs/dbraw/zinc/55/79/04/954557904.db2.gz XEQYKXXJDZUOFV-JTQLQIEISA-N -1 0 320.305 -0.605 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001594896104 954566664 /nfs/dbraw/zinc/56/66/64/954566664.db2.gz MGXCCYPEXKLWEV-KOLCDFICSA-N -1 0 323.349 -0.953 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)C3(CC(=O)[O-])CCOCC3)C[C@H]2C1=O ZINC001593773748 954569067 /nfs/dbraw/zinc/56/90/67/954569067.db2.gz GDRYGGSAZVNCJJ-AOOOYVTPSA-N -1 0 324.333 -0.669 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C[C@H]2C1=O ZINC001593774183 954578396 /nfs/dbraw/zinc/57/83/96/954578396.db2.gz OBPIQHWPTCAJFZ-RGOKHQFPSA-N -1 0 309.322 -0.504 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CC[C@@H](Nc3ncccn3)C2)C1 ZINC001594897986 954586447 /nfs/dbraw/zinc/58/64/47/954586447.db2.gz DQQAPIRUIIBUDQ-GHMZBOCLSA-N -1 0 305.338 -0.147 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCC(Cn3cnnc3)CC2)C1 ZINC001594898489 954593185 /nfs/dbraw/zinc/59/31/85/954593185.db2.gz LNUDEODDZJPHLM-GFCCVEGCSA-N -1 0 307.354 -0.119 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CCC[C@@H]2CN2CCOCC2)C1 ZINC001594898928 954598417 /nfs/dbraw/zinc/59/84/17/954598417.db2.gz VFLDWGQDIKEEFE-QWHCGFSZSA-N -1 0 311.382 -0.326 20 0 DBADRM C/C=C\C[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)C(=O)OCC ZINC001589420621 954599616 /nfs/dbraw/zinc/59/96/16/954599616.db2.gz NJXVGTMSMHUGGF-LVCFMKKZSA-N -1 0 310.310 -0.010 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589425089 954611401 /nfs/dbraw/zinc/61/14/01/954611401.db2.gz VQKYJGHQPNRTOJ-ZJUUUORDSA-N -1 0 313.354 -0.517 20 0 DBADRM CN1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C[C@H]1CO ZINC001593781336 954669861 /nfs/dbraw/zinc/66/98/61/954669861.db2.gz USBSYSZYHRBWKN-LBPRGKRZSA-N -1 0 308.334 -0.102 20 0 DBADRM CN1CCN(CC(=O)NCc2cccc(C(=O)[O-])c2)CC1=O ZINC001593785367 954696696 /nfs/dbraw/zinc/69/66/96/954696696.db2.gz RZBQXRFKSHOQMN-UHFFFAOYSA-N -1 0 305.334 -0.225 20 0 DBADRM CN1CCN(C)CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001593785524 954698624 /nfs/dbraw/zinc/69/86/24/954698624.db2.gz XCIMEFYOAJIMSJ-UHFFFAOYSA-N -1 0 307.354 -0.506 20 0 DBADRM CN(Cc1nnc2n1CCN(C)C2=O)C(=O)C1(C(=O)[O-])CCC1 ZINC001593786459 954702642 /nfs/dbraw/zinc/70/26/42/954702642.db2.gz FDJYGJAESSPQBD-UHFFFAOYSA-N -1 0 321.337 -0.423 20 0 DBADRM CN1CCn2c(CNC(=O)[C@H](C(=O)[O-])C3CC3)nnc2C1=O ZINC001593786841 954709831 /nfs/dbraw/zinc/70/98/31/954709831.db2.gz RFWWDFXZQNNFKP-SECBINFHSA-N -1 0 307.310 -0.909 20 0 DBADRM CN1CN(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)CC1=O ZINC001593786964 954712398 /nfs/dbraw/zinc/71/23/98/954712398.db2.gz SMHBNGFBEOOESQ-XIRUVYRFSA-N -1 0 311.338 -0.160 20 0 DBADRM CN(Cc1nnc2n1CCN(C)C2=O)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001593787054 954713519 /nfs/dbraw/zinc/71/35/19/954713519.db2.gz XYDZUUITWXEVPK-DTWKUNHWSA-N -1 0 321.337 -0.567 20 0 DBADRM CN1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1=O ZINC001593787093 954715322 /nfs/dbraw/zinc/71/53/22/954715322.db2.gz ZVHZLIOCDWFNND-LBPRGKRZSA-N -1 0 316.317 -0.036 20 0 DBADRM CN1CCOC[C@]1(CO)CNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001593787637 954729327 /nfs/dbraw/zinc/72/93/27/954729327.db2.gz SXDWIPLPUFQSAF-CQSZACIVSA-N -1 0 324.337 -0.406 20 0 DBADRM CN1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCC(=O)[O-])C1 ZINC001593787801 954730698 /nfs/dbraw/zinc/73/06/98/954730698.db2.gz AZWPGNOFUOYNSP-LBPRGKRZSA-N -1 0 305.334 -0.120 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)C1 ZINC001594914517 954730955 /nfs/dbraw/zinc/73/09/55/954730955.db2.gz IDQRBNVIUFSYFD-JFUSQASVSA-N -1 0 319.317 -0.110 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](n3cccn3)C2)C1 ZINC001594916302 954755257 /nfs/dbraw/zinc/75/52/57/954755257.db2.gz MEXXBJVKFDOMPQ-GHMZBOCLSA-N -1 0 306.322 -0.410 20 0 DBADRM CNC(=O)CCCCC(=O)N(CCC(=O)OC)CC(=O)[O-] ZINC001593790969 954756667 /nfs/dbraw/zinc/75/66/67/954756667.db2.gz MLCHTXBNOLLFSG-UHFFFAOYSA-N -1 0 302.327 -0.231 20 0 DBADRM CNC(=O)CCCN(C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593791153 954758036 /nfs/dbraw/zinc/75/80/36/954758036.db2.gz QUPKBCTXYLTOLG-JTQLQIEISA-N -1 0 313.354 -0.706 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@@H](OC)C(=O)[O-])c2ccccc2O1 ZINC001593791531 954758683 /nfs/dbraw/zinc/75/86/83/954758683.db2.gz ACHPDIRBVQZFRC-GHMZBOCLSA-N -1 0 308.290 -0.374 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@H](OC)C(=O)[O-])c2ccccc2O1 ZINC001593791532 954759620 /nfs/dbraw/zinc/75/96/20/954759620.db2.gz ACHPDIRBVQZFRC-MNOVXSKESA-N -1 0 308.290 -0.374 20 0 DBADRM CNC(=O)C1CCC(NC(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC001593791992 954764998 /nfs/dbraw/zinc/76/49/98/954764998.db2.gz OZAZYQXKJAHSOI-UHFFFAOYSA-N -1 0 309.326 -0.603 20 0 DBADRM CNC(=O)COc1ccc(NCC(=O)NCC(=O)[O-])c(C)c1 ZINC001593792987 954773865 /nfs/dbraw/zinc/77/38/65/954773865.db2.gz GVYYICIGDRYGKM-UHFFFAOYSA-N -1 0 309.322 -0.267 20 0 DBADRM O=C([O-])[C@H]1CCCN1Cc1cn(C[C@]2(O)CCCOC2)nn1 ZINC001594918079 954780306 /nfs/dbraw/zinc/78/03/06/954780306.db2.gz ZVCWTFXEGQJHAY-TZMCWYRMSA-N -1 0 310.354 -0.131 20 0 DBADRM CNC(=O)CN1CCCN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1 ZINC001593793748 954788246 /nfs/dbraw/zinc/78/82/46/954788246.db2.gz XIBQMXCBGLVGOF-OAHLLOKOSA-N -1 0 311.382 -0.232 20 0 DBADRM CC[C@@](C)(CO)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589450316 954792640 /nfs/dbraw/zinc/79/26/40/954792640.db2.gz BPZKCRXEMSGFKF-YGRLFVJLSA-N -1 0 300.355 -0.023 20 0 DBADRM CNC(=O)N1CCN(C(=O)C2(CC(=O)[O-])CCOCC2)CC1 ZINC001593795025 954803620 /nfs/dbraw/zinc/80/36/20/954803620.db2.gz LHQNDYATKGPWEE-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593795409 954805949 /nfs/dbraw/zinc/80/59/49/954805949.db2.gz VCWHRXVKXDSJKL-GUBZILKMSA-N -1 0 314.342 -0.811 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC001593795612 954809462 /nfs/dbraw/zinc/80/94/62/954809462.db2.gz ZMWNEWLBDCXOBK-AXFHLTTASA-N -1 0 313.354 -0.356 20 0 DBADRM O=C([O-])C1CCN(C(=O)NCc2nnc3c(=O)[nH]ccn23)CC1 ZINC001594925417 954812225 /nfs/dbraw/zinc/81/22/25/954812225.db2.gz WNLFESCCYNZBJP-UHFFFAOYSA-N -1 0 320.309 -0.576 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)Nc2n[nH]nc2C(=O)N2CCCC2)C1 ZINC001594925391 954812314 /nfs/dbraw/zinc/81/23/14/954812314.db2.gz RBVOPSNGPSMJJW-QMMMGPOBSA-N -1 0 322.325 -0.021 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)Nc2n[nH]nc2C(=O)N2CCCC2)C1 ZINC001594925390 954812767 /nfs/dbraw/zinc/81/27/67/954812767.db2.gz RBVOPSNGPSMJJW-MRVPVSSYSA-N -1 0 322.325 -0.021 20 0 DBADRM CCC(C)(C)OCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001589452584 954813191 /nfs/dbraw/zinc/81/31/91/954813191.db2.gz YDZDIWDTRMTMDQ-VIFPVBQESA-N -1 0 307.368 -0.098 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001593797301 954817394 /nfs/dbraw/zinc/81/73/94/954817394.db2.gz GGLZITUXMRGVRB-CABZTGNLSA-N -1 0 320.367 -0.840 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC1 ZINC001593798362 954832373 /nfs/dbraw/zinc/83/23/73/954832373.db2.gz VFAUCKJIZSAYNF-LLVKDONJSA-N -1 0 308.356 -0.984 20 0 DBADRM CNS(=O)(=O)N1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001593798414 954832495 /nfs/dbraw/zinc/83/24/95/954832495.db2.gz WOAJBVGDOOEXKW-UHFFFAOYSA-N -1 0 313.379 -0.033 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1ccccc1CC(=O)[O-] ZINC001593798853 954841577 /nfs/dbraw/zinc/84/15/77/954841577.db2.gz CMPNVCXNICDENX-UHFFFAOYSA-N -1 0 301.324 -0.694 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2CC(C(=O)[O-])C2)ccc1F ZINC001593798872 954841945 /nfs/dbraw/zinc/84/19/45/954841945.db2.gz FDEWVOARQICBLK-UHFFFAOYSA-N -1 0 316.310 -0.110 20 0 DBADRM CNS(=O)(=O)N1CCN(c2cc(C(=O)[O-])ccn2)CC1 ZINC001593798924 954842749 /nfs/dbraw/zinc/84/27/49/954842749.db2.gz HXWHVZSDHVQBLG-UHFFFAOYSA-N -1 0 300.340 -0.634 20 0 DBADRM CC[C@H](C)[C@@H](O)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589457831 954845924 /nfs/dbraw/zinc/84/59/24/954845924.db2.gz STKRQRJBITZPIF-AXFHLTTASA-N -1 0 300.355 -0.167 20 0 DBADRM O=C([O-])C1CCN(Cc2cn(CCn3cncn3)nn2)CC1 ZINC001594934218 954845866 /nfs/dbraw/zinc/84/58/66/954845866.db2.gz SHONXFZABRPYTM-UHFFFAOYSA-N -1 0 305.342 -0.134 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@H](CO)[C@H]2CCOC2)CC1 ZINC001594935274 954853915 /nfs/dbraw/zinc/85/39/15/954853915.db2.gz LJOYEADSUSYYSO-WDEREUQCSA-N -1 0 322.383 -0.985 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@H](CO)[C@@H]2CCOC2)CC1 ZINC001594935264 954854210 /nfs/dbraw/zinc/85/42/10/954854210.db2.gz LJOYEADSUSYYSO-GHMZBOCLSA-N -1 0 322.383 -0.985 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCO[C@@H](CF)C2)CC1 ZINC001594935780 954859963 /nfs/dbraw/zinc/85/99/63/954859963.db2.gz YRSWSFYDMBENHL-JTQLQIEISA-N -1 0 310.347 -0.302 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC2CC(CCO)C2)CC1 ZINC001594935784 954860517 /nfs/dbraw/zinc/86/05/17/954860517.db2.gz YWISKLMBOOKPAQ-UHFFFAOYSA-N -1 0 306.384 -0.222 20 0 DBADRM CNc1cnn([C@H]2CCN(CC(=O)[O-])C2=O)c(=O)c1Cl ZINC001593803769 954872793 /nfs/dbraw/zinc/87/27/93/954872793.db2.gz VWZIFEJEVNCYJS-ZETCQYMHSA-N -1 0 300.702 -0.204 20 0 DBADRM CNc1cnn([C@@H]2CCN(CC(=O)[O-])C2=O)c(=O)c1Cl ZINC001593803768 954872872 /nfs/dbraw/zinc/87/28/72/954872872.db2.gz VWZIFEJEVNCYJS-SSDOTTSWSA-N -1 0 300.702 -0.204 20 0 DBADRM COC(=O)[C@](C)(CO)NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593804090 954878250 /nfs/dbraw/zinc/87/82/50/954878250.db2.gz KIHFJSNABSOTNM-RVBZMBCESA-N -1 0 303.311 -0.704 20 0 DBADRM O=C([O-])C1CCN(c2nnnn2CCO[C@@H]2CCOC2)CC1 ZINC001594940798 954887698 /nfs/dbraw/zinc/88/76/98/954887698.db2.gz OWRUSVWZUTXLGC-LLVKDONJSA-N -1 0 311.342 -0.220 20 0 DBADRM COC(=O)C(C)(C)CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593804646 954888048 /nfs/dbraw/zinc/88/80/48/954888048.db2.gz QTUAGCZOHKRHHL-VIFPVBQESA-N -1 0 322.383 -0.041 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCCSCC2)CCO1 ZINC001594940996 954889422 /nfs/dbraw/zinc/88/94/22/954889422.db2.gz UQSNVIGJKNEHEC-SECBINFHSA-N -1 0 302.352 -0.736 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2CCOC2CCOCC2)C1 ZINC001594941077 954890972 /nfs/dbraw/zinc/89/09/72/954890972.db2.gz WRVQXOSRMQEHSZ-SNVBAGLBSA-N -1 0 311.342 -0.220 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000386404263 972051368 /nfs/dbraw/zinc/05/13/68/972051368.db2.gz DZIVNYYFSALMFG-VIFPVBQESA-N -1 0 300.355 -0.025 20 0 DBADRM O=C([O-])C1CN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)C1 ZINC001594941566 954900950 /nfs/dbraw/zinc/90/09/50/954900950.db2.gz UFAXMBQXAVYXFG-STQMWFEESA-N -1 0 322.361 -0.029 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC001594942354 954904072 /nfs/dbraw/zinc/90/40/72/954904072.db2.gz ICCDPWZSKWVNBH-UWVGGRQHSA-N -1 0 305.352 -0.487 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)[C@H](C(=O)[O-])C(C)C ZINC001593805951 954904653 /nfs/dbraw/zinc/90/46/53/954904653.db2.gz DMEJTJWPRJGEFI-WCBMZHEXSA-N -1 0 303.311 -0.236 20 0 DBADRM COC(=O)[C@H](CNC(=O)[C@@H]1CC(C(=O)[O-])=NO1)[C@H]1CCOC1 ZINC001593806216 954908899 /nfs/dbraw/zinc/90/88/99/954908899.db2.gz GWZAMMCGCSPQCF-XKSSXDPKSA-N -1 0 314.294 -0.842 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001593806893 954912718 /nfs/dbraw/zinc/91/27/18/954912718.db2.gz MRBQUWWAKYUPQW-RMLUDKJBSA-N -1 0 315.322 -0.092 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)CCO1 ZINC001594946779 954918368 /nfs/dbraw/zinc/91/83/68/954918368.db2.gz YCRCORJAISUMAQ-DBIOUOCHSA-N -1 0 300.311 -0.715 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)CCO1 ZINC001594946781 954918815 /nfs/dbraw/zinc/91/88/15/954918815.db2.gz YCRCORJAISUMAQ-YTWAJWBKSA-N -1 0 300.311 -0.715 20 0 DBADRM COC(=O)[C@H](COC1CCC1)N(C)C(=O)[C@@H](OC)C(=O)[O-] ZINC001593809820 954924458 /nfs/dbraw/zinc/92/44/58/954924458.db2.gz BYRWULWKYPQGSC-VHSXEESVSA-N -1 0 303.311 -0.345 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC001589471655 954929477 /nfs/dbraw/zinc/92/94/77/954929477.db2.gz MFGWJMDJGOPRMX-UHFFFAOYSA-N -1 0 307.372 -0.775 20 0 DBADRM COC(=O)[C@H](O)C1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001593810345 954929453 /nfs/dbraw/zinc/92/94/53/954929453.db2.gz CRIDCWBXIKAXBI-GMTAPVOTSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1CC1 ZINC001593810363 954930654 /nfs/dbraw/zinc/93/06/54/954930654.db2.gz DHMGNILCQYOUDI-IUCAKERBSA-N -1 0 306.340 -0.679 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001593811740 954948349 /nfs/dbraw/zinc/94/83/49/954948349.db2.gz RTIFPRKOHBDBJX-HZMBPMFUSA-N -1 0 315.322 -0.607 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccnc(N3CCOCC3)n2)CCO1 ZINC001594951364 954952300 /nfs/dbraw/zinc/95/23/00/954952300.db2.gz QETBULZKLXCUDW-NSHDSACASA-N -1 0 322.321 -0.761 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2CCO[C@@H]2CC2(F)F)CCO1 ZINC001594954622 954977464 /nfs/dbraw/zinc/97/74/64/954977464.db2.gz OBKWGINLYWJAAG-JGVFFNPUSA-N -1 0 319.268 -0.613 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2CCO[C@H]2CC2(F)F)CCO1 ZINC001594954624 954977506 /nfs/dbraw/zinc/97/75/06/954977506.db2.gz OBKWGINLYWJAAG-YUMQZZPRSA-N -1 0 319.268 -0.613 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cnc3n2CCCC3)CCO1 ZINC001594954933 954983169 /nfs/dbraw/zinc/98/31/69/954983169.db2.gz IGCIXPABSJBIGI-VIFPVBQESA-N -1 0 315.351 -0.307 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CN1CCc2ccccc2C1=O ZINC001594957567 954991862 /nfs/dbraw/zinc/99/18/62/954991862.db2.gz HACRCVNJDRXFFE-ZDUSSCGKSA-N -1 0 318.329 -0.003 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1cccc(-n2cncn2)n1 ZINC001594957714 954993790 /nfs/dbraw/zinc/99/37/90/954993790.db2.gz XPWPXBZZPYHVOX-SNVBAGLBSA-N -1 0 303.278 -0.412 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001594957729 954993853 /nfs/dbraw/zinc/99/38/53/954993853.db2.gz YWIHTHYXOGIZRR-MWLCHTKSSA-N -1 0 310.310 -0.760 20 0 DBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1cnn2ccccc12 ZINC001594958703 954997989 /nfs/dbraw/zinc/99/79/89/954997989.db2.gz OULVKRDLEAJELX-SNVBAGLBSA-N -1 0 311.319 -0.192 20 0 DBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1cnn2ccccc12 ZINC001594958699 954998541 /nfs/dbraw/zinc/99/85/41/954998541.db2.gz OULVKRDLEAJELX-JTQLQIEISA-N -1 0 311.319 -0.192 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCN1CC[C@H](F)C1 ZINC001594959796 955002264 /nfs/dbraw/zinc/00/22/64/955002264.db2.gz FWNGZTKXTFSOLE-VHSXEESVSA-N -1 0 322.358 -0.870 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)/C=C/c1cccnc1 ZINC001594960141 955008573 /nfs/dbraw/zinc/00/85/73/955008573.db2.gz QHEPPATYEZBXRS-PGLGOXFNSA-N -1 0 310.331 -0.195 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C(F)(F)C(F)F ZINC001594960331 955009972 /nfs/dbraw/zinc/00/99/72/955009972.db2.gz VTEHGRSSWBUYDR-SCSAIBSYSA-N -1 0 307.221 -0.403 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CCn1ccccc1=O ZINC001594960706 955013850 /nfs/dbraw/zinc/01/38/50/955013850.db2.gz CSSJWQVGXPPSEN-SNVBAGLBSA-N -1 0 300.336 -0.968 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@H]2C(=O)[O-] ZINC001593819227 955014564 /nfs/dbraw/zinc/01/45/64/955014564.db2.gz BHMBKBQNKHUHAU-PUUHTONNSA-N -1 0 324.333 -0.636 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(O)cc1F ZINC001594960921 955015730 /nfs/dbraw/zinc/01/57/30/955015730.db2.gz HACARPCTLXJXPM-JTQLQIEISA-N -1 0 317.294 -0.145 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1n[nH]c2ccccc21 ZINC001594961067 955016254 /nfs/dbraw/zinc/01/62/54/955016254.db2.gz IPJMNQVKOPWTBW-JTQLQIEISA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1nccc2[nH]ccc21 ZINC001594961434 955019229 /nfs/dbraw/zinc/01/92/29/955019229.db2.gz LGZKLWCLYCOACP-SNVBAGLBSA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnc2ccccn12 ZINC001594961908 955020197 /nfs/dbraw/zinc/02/01/97/955020197.db2.gz OKOIPMDQCBSUAK-JTQLQIEISA-N -1 0 323.330 -0.342 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccnc(F)c1F ZINC001594962386 955023972 /nfs/dbraw/zinc/02/39/72/955023972.db2.gz SAHMSSJOBOFYQG-SSDOTTSWSA-N -1 0 320.273 -0.316 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnc2n1CCC2 ZINC001594962826 955026557 /nfs/dbraw/zinc/02/65/57/955026557.db2.gz VZCYYEYFBFOWSN-VIFPVBQESA-N -1 0 313.335 -0.847 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(O)c1F ZINC001594963180 955028363 /nfs/dbraw/zinc/02/83/63/955028363.db2.gz YIBUNESVUPIFKZ-MRVPVSSYSA-N -1 0 317.294 -0.145 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)Cn1ccnc1)C[C@@H]2C(=O)[O-] ZINC001593821587 955044109 /nfs/dbraw/zinc/04/41/09/955044109.db2.gz MLOKTTRLIZRMHM-LOIXOFCESA-N -1 0 321.333 -0.005 20 0 DBADRM CC(C)(C)C(=O)NCCCC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000386550545 972064424 /nfs/dbraw/zinc/06/44/24/972064424.db2.gz LVEPCNOKYBYWFC-CQSZACIVSA-N -1 0 300.355 -0.023 20 0 DBADRM O=C([O-])C=Cc1cc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)co1 ZINC001594965893 955053761 /nfs/dbraw/zinc/05/37/61/955053761.db2.gz IDXMXRYRFDJKRO-JWXWKVPASA-N -1 0 319.273 -0.246 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N(C)Cc1cnn(C)c1C)C(=O)[O-] ZINC001589514056 955054920 /nfs/dbraw/zinc/05/49/20/955054920.db2.gz ATEIWTFZSIWGOE-JTQLQIEISA-N -1 0 310.354 -0.086 20 0 DBADRM CC[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1)C(=O)[O-] ZINC001589516871 955066763 /nfs/dbraw/zinc/06/67/63/955066763.db2.gz AMOZORADLHYVMP-MXWKQRLJSA-N -1 0 308.338 -0.357 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1C[C@H](O)CC(F)(F)C1)C(=O)[O-] ZINC001589519202 955084685 /nfs/dbraw/zinc/08/46/85/955084685.db2.gz PYJASSZDVNPLSX-HTQZYQBOSA-N -1 0 308.281 -0.558 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCCN(CC)C(=O)C1)C(=O)[O-] ZINC001589519928 955090218 /nfs/dbraw/zinc/09/02/18/955090218.db2.gz WXQABXKZMWPXKC-SNVBAGLBSA-N -1 0 313.354 -0.706 20 0 DBADRM O=C([O-])CC1(C(=O)N(CCO)CCOCCO)CCOCC1 ZINC001594970330 955106122 /nfs/dbraw/zinc/10/61/22/955106122.db2.gz GZFDQDKBUWHWRY-UHFFFAOYSA-N -1 0 319.354 -0.912 20 0 DBADRM CC[C@@H](CNC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001589526277 955119051 /nfs/dbraw/zinc/11/90/51/955119051.db2.gz PKIZGVSIEOPABU-QMMMGPOBSA-N -1 0 318.355 -0.852 20 0 DBADRM COCC[C@H](COC)NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000386638317 972070609 /nfs/dbraw/zinc/07/06/09/972070609.db2.gz AGTFCMPWGQQKHF-MNOVXSKESA-N -1 0 304.343 -0.077 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001593829356 955135039 /nfs/dbraw/zinc/13/50/39/955135039.db2.gz QGBIWIQTURWPLW-KBVBSXBZSA-N -1 0 323.367 -0.527 20 0 DBADRM CC[C@H](CNC(=O)N1CCO[C@H](CS(C)(=O)=O)C1)C(=O)[O-] ZINC001589528355 955136587 /nfs/dbraw/zinc/13/65/87/955136587.db2.gz IPIZXDXHTJSUHR-ZJUUUORDSA-N -1 0 322.383 -0.448 20 0 DBADRM CC[C@H](CNC(=O)N1CCN(C(=O)COC)CC1)C(=O)[O-] ZINC001589529293 955143595 /nfs/dbraw/zinc/14/35/95/955143595.db2.gz TWAXJCNIYLNRRY-SNVBAGLBSA-N -1 0 301.343 -0.403 20 0 DBADRM CC[C@@H](CNC(=O)N1CCN(CC(=O)N(C)C)CC1)C(=O)[O-] ZINC001589529867 955146893 /nfs/dbraw/zinc/14/68/93/955146893.db2.gz ZZKBJSULYLRXNU-NSHDSACASA-N -1 0 314.386 -0.487 20 0 DBADRM COC(=O)C[C@](C)(NCC(=O)NCC(=O)[O-])c1ccncc1 ZINC001593831431 955153707 /nfs/dbraw/zinc/15/37/07/955153707.db2.gz ANQMFFVKRXWTHP-AWEZNQCLSA-N -1 0 309.322 -0.350 20 0 DBADRM CC[C@@H](CNC(=O)NCCC(=O)NCCC(=O)OC)C(=O)[O-] ZINC001589537668 955172879 /nfs/dbraw/zinc/17/28/79/955172879.db2.gz JZIUZLYTPGPLJH-VIFPVBQESA-N -1 0 317.342 -0.534 20 0 DBADRM COC(=O)CCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593834395 955174864 /nfs/dbraw/zinc/17/48/64/955174864.db2.gz KYKHHTZERSKKTD-ZANVPECISA-N -1 0 300.311 -0.318 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)CNC(=O)c2cccc(F)c2)C1 ZINC000386725480 972076371 /nfs/dbraw/zinc/07/63/71/972076371.db2.gz AZSSEQDNEXHYQP-AWEZNQCLSA-N -1 0 310.281 -0.397 20 0 DBADRM CC[C@H](CNC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001589550888 955214911 /nfs/dbraw/zinc/21/49/11/955214911.db2.gz MCFRCIVEDLBODF-SFYZADRCSA-N -1 0 311.298 -0.773 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)[C@@H]2CCCN2c2ncccn2)CC1 ZINC000386715563 972075689 /nfs/dbraw/zinc/07/56/89/972075689.db2.gz YFGBLMDOOXRAMT-NSHDSACASA-N -1 0 320.349 -0.117 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001593836132 955313263 /nfs/dbraw/zinc/31/32/63/955313263.db2.gz RLTPCQIASIULOF-VIFPVBQESA-N -1 0 312.322 -0.526 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)n1 ZINC001594500047 955316179 /nfs/dbraw/zinc/31/61/79/955316179.db2.gz JGXPJRJZYLTZMU-PSASIEDQSA-N -1 0 324.337 -0.394 20 0 DBADRM COC(=O)CCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593836723 955319334 /nfs/dbraw/zinc/31/93/34/955319334.db2.gz HTXXEXFKKNEDOJ-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC001589000516 955319445 /nfs/dbraw/zinc/31/94/45/955319445.db2.gz ZXXLIBPGEYNUKB-MWLCHTKSSA-N -1 0 313.354 -0.071 20 0 DBADRM COC(=O)C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593837402 955323012 /nfs/dbraw/zinc/32/30/12/955323012.db2.gz SRDOXFDBOMDUHS-UWVGGRQHSA-N -1 0 320.367 -0.192 20 0 DBADRM COC(=O)CC[C@@H](C(=O)OC)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593837870 955325782 /nfs/dbraw/zinc/32/57/82/955325782.db2.gz ZWIWMSBNDNGSFR-ISTVAULSSA-N -1 0 315.322 -0.486 20 0 DBADRM Cc1noc2ncc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc12 ZINC001594501853 955328416 /nfs/dbraw/zinc/32/84/16/955328416.db2.gz PUYWSIHMHNFVOL-NSHDSACASA-N -1 0 315.307 -0.355 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)NCCCC(=O)[O-] ZINC001594502647 955337676 /nfs/dbraw/zinc/33/76/76/955337676.db2.gz MIGFHIADOQIISJ-UHFFFAOYSA-N -1 0 319.339 -0.449 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)CN1CCCCC1=O ZINC001593839170 955338730 /nfs/dbraw/zinc/33/87/30/955338730.db2.gz BWZMVWYBAQBDSP-UHFFFAOYSA-N -1 0 300.311 -0.525 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(C)C1=O ZINC001593839567 955344970 /nfs/dbraw/zinc/34/49/70/955344970.db2.gz LPKMWYVIEHXMGV-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CCc2cncn2C1 ZINC001593839632 955345358 /nfs/dbraw/zinc/34/53/58/955345358.db2.gz OHWDNZISXLQNJL-SNVBAGLBSA-N -1 0 309.322 -0.078 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001593839724 955347537 /nfs/dbraw/zinc/34/75/37/955347537.db2.gz SXNRDGWOGBAMMG-SECBINFHSA-N -1 0 309.322 -0.009 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)/C=C/c1ccc(C(N)=O)o1 ZINC001593839799 955348836 /nfs/dbraw/zinc/34/88/36/955348836.db2.gz WTWIEEONKRELKF-HWKANZROSA-N -1 0 324.289 -0.132 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)CC1SC(=N)NC1=O ZINC001593839814 955350129 /nfs/dbraw/zinc/35/01/29/955350129.db2.gz XJJXXROWBFJYTR-LURJTMIESA-N -1 0 317.323 -0.981 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1ccnc2ccnn21 ZINC001593839992 955352850 /nfs/dbraw/zinc/35/28/50/955352850.db2.gz IEQBABWVYOZUJG-UHFFFAOYSA-N -1 0 306.278 -0.181 20 0 DBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001594506079 955357025 /nfs/dbraw/zinc/35/70/25/955357025.db2.gz KBKBOLMOBBEOBB-GFCCVEGCSA-N -1 0 317.319 -0.035 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1 ZINC001589004863 955358837 /nfs/dbraw/zinc/35/88/37/955358837.db2.gz UEQCJEXIGKHTNA-LURJTMIESA-N -1 0 319.339 -0.058 20 0 DBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CC(C(=O)[O-])C1 ZINC001594506397 955360629 /nfs/dbraw/zinc/36/06/29/955360629.db2.gz MZKJLFYSSCCGCH-UHFFFAOYSA-N -1 0 316.335 -0.005 20 0 DBADRM Cc1oc(C(=O)OCC(=O)C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC001594506745 955364064 /nfs/dbraw/zinc/36/40/64/955364064.db2.gz PRUKFKMORBUMCX-UHFFFAOYSA-N -1 0 319.291 -0.351 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001594506861 955364807 /nfs/dbraw/zinc/36/48/07/955364807.db2.gz TXOIVOWGTKOMDY-LLVKDONJSA-N -1 0 318.307 -0.791 20 0 DBADRM Cc1oc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1CO ZINC001594506843 955365615 /nfs/dbraw/zinc/36/56/15/955365615.db2.gz QJBMSFPRKKNDDV-SECBINFHSA-N -1 0 317.319 -0.596 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)c1c(C)n[nH]c1C ZINC001593841940 955372574 /nfs/dbraw/zinc/37/25/74/955372574.db2.gz OWZVSJVEHJCLHJ-UHFFFAOYSA-N -1 0 319.339 -0.335 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)OC)C(C)C)C(=O)[O-] ZINC001593844047 955388429 /nfs/dbraw/zinc/38/84/29/955388429.db2.gz JZNSPXPZJPMJNU-WPRPVWTQSA-N -1 0 318.326 -0.110 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])[C@H](C)C1 ZINC001593844474 955397412 /nfs/dbraw/zinc/39/74/12/955397412.db2.gz KEWQZOIHQFAESB-QMTHXVAHSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)C(=O)[O-] ZINC001593845176 955404914 /nfs/dbraw/zinc/40/49/14/955404914.db2.gz FXUAWTBSAVGFHX-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)C(=O)[O-] ZINC001593845175 955404983 /nfs/dbraw/zinc/40/49/83/955404983.db2.gz FXUAWTBSAVGFHX-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)CCN1CCN(C(=O)COCC(=O)[O-])[C@@H](C)C1 ZINC001593845309 955406300 /nfs/dbraw/zinc/40/63/00/955406300.db2.gz RGWHKLGBGWFJKD-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@]1(C)CCNC(=O)C1)C(=O)[O-] ZINC001593845504 955409570 /nfs/dbraw/zinc/40/95/70/955409570.db2.gz ITFAPUCDTSWWEY-ISVAXAHUSA-N -1 0 300.311 -0.575 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CNC(=O)c1ccncc1)C(=O)[O-] ZINC001593845626 955410336 /nfs/dbraw/zinc/41/03/36/955410336.db2.gz IDZDNGCWMXUEPN-JTQLQIEISA-N -1 0 323.305 -0.666 20 0 DBADRM Cn1c(=O)cc(C(=O)OCC(=O)NCC(=O)[O-])c2ccccc21 ZINC001594517185 955419124 /nfs/dbraw/zinc/41/91/24/955419124.db2.gz DRRDTAKQKMCGHK-UHFFFAOYSA-N -1 0 318.285 -0.104 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1ccc(C(=O)OC)[nH]1)C(=O)[O-] ZINC001593847346 955430732 /nfs/dbraw/zinc/43/07/32/955430732.db2.gz LQBWECAPJPPQCX-QMMMGPOBSA-N -1 0 312.278 -0.063 20 0 DBADRM Cn1c(C[C@@H](O)C2CC2)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001594517975 955433060 /nfs/dbraw/zinc/43/30/60/955433060.db2.gz KYPOWICOHIAUQF-UEKVPHQBSA-N -1 0 322.365 -0.334 20 0 DBADRM C[C@H](CCNC(=O)c1cccn(CC(=O)[O-])c1=O)[S@@](C)=O ZINC001589015383 955433322 /nfs/dbraw/zinc/43/33/22/955433322.db2.gz NSZZLNJALLAPNF-AOUSDQRYSA-N -1 0 314.363 -0.180 20 0 DBADRM C[C@H](CCO)CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589015922 955438330 /nfs/dbraw/zinc/43/83/30/955438330.db2.gz ZWUDDCKCLUNCAN-WDEREUQCSA-N -1 0 300.355 -0.166 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NCCNC(=O)C(C)(C)C)C(=O)[O-] ZINC001589019165 955447321 /nfs/dbraw/zinc/44/73/21/955447321.db2.gz AHQUWRRFQNDULD-SECBINFHSA-N -1 0 315.370 -0.556 20 0 DBADRM Cn1c(CS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001594519711 955448504 /nfs/dbraw/zinc/44/85/04/955448504.db2.gz BCODLBKNUGXXIS-MRVPVSSYSA-N -1 0 302.356 -0.339 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@H]1CCN(CC(F)F)C1)C(=O)[O-] ZINC001589019243 955449701 /nfs/dbraw/zinc/44/97/01/955449701.db2.gz CSFWDIIPVCGCIC-BDAKNGLRSA-N -1 0 321.324 -0.379 20 0 DBADRM COC(=O)COCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001593851156 955458932 /nfs/dbraw/zinc/45/89/32/955458932.db2.gz CDSJNRBLQKXMLU-VHSXEESVSA-N -1 0 302.327 -0.072 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1nnn[n-]1 ZINC001589019872 955460609 /nfs/dbraw/zinc/46/06/09/955460609.db2.gz WWPBMICZKSBNNW-RKDXNWHRSA-N -1 0 324.341 -0.915 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N(C)C[C@H]1CCC[C@H]1O)C(=O)[O-] ZINC001589019963 955461683 /nfs/dbraw/zinc/46/16/83/955461683.db2.gz MBZBSYDLUXZGOO-GMTAPVOTSA-N -1 0 300.355 -0.215 20 0 DBADRM COC(=O)Cc1csc(NC(=O)NC[C@](C)(O)C(=O)[O-])n1 ZINC001593854406 955485444 /nfs/dbraw/zinc/48/54/44/955485444.db2.gz YNZJAUFMGVQZKM-NSHDSACASA-N -1 0 317.323 -0.184 20 0 DBADRM Cn1cc(-n2cc(C(=O)OCC(=O)C(=O)[O-])ccc2=O)cn1 ZINC001594523969 955487138 /nfs/dbraw/zinc/48/71/38/955487138.db2.gz LDAIYHNKMFRNTJ-UHFFFAOYSA-N -1 0 305.246 -0.619 20 0 DBADRM COC(=O)N(C)CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593855991 955502567 /nfs/dbraw/zinc/50/25/67/955502567.db2.gz RDIRAOGKROVVCG-VIFPVBQESA-N -1 0 315.326 -0.876 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)C2(CC(=O)[O-])CCOCC2)cn1 ZINC001594529833 955516076 /nfs/dbraw/zinc/51/60/76/955516076.db2.gz NBQAFGRDYICTAL-LLVKDONJSA-N -1 0 311.338 -0.159 20 0 DBADRM COC(=O)NCC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001593858124 955519696 /nfs/dbraw/zinc/51/96/96/955519696.db2.gz GJQJTNKOBIFKPW-VHSXEESVSA-N -1 0 324.337 -0.207 20 0 DBADRM COC(=O)NC1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001593858477 955522721 /nfs/dbraw/zinc/52/27/21/955522721.db2.gz PIEGKODXGKDMLT-UHFFFAOYSA-N -1 0 309.278 -0.887 20 0 DBADRM COC(=O)[C@@H](CNC(=O)[C@@H](OC)C(=O)[O-])Oc1ccccc1 ZINC001593860178 955527066 /nfs/dbraw/zinc/52/70/66/955527066.db2.gz FYVQIPKNGOJPAH-GHMZBOCLSA-N -1 0 311.290 -0.177 20 0 DBADRM Cn1cc(C(=O)Nc2ncccc2C(=O)[O-])c(=O)n(C)c1=O ZINC001594530470 955527295 /nfs/dbraw/zinc/52/72/95/955527295.db2.gz VTNMVLQCQLVJKU-UHFFFAOYSA-N -1 0 304.262 -0.571 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC001593860618 955535765 /nfs/dbraw/zinc/53/57/65/955535765.db2.gz KYKKKFKFRVFAOV-XKNYDFJKSA-N -1 0 300.311 -0.179 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)[C@@H]3CCNC3=O)C2)cn1 ZINC001594531672 955538851 /nfs/dbraw/zinc/53/88/51/955538851.db2.gz LWHJNZFDCQKPGC-CKYFFXLPSA-N -1 0 320.349 -0.427 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(CCC(N)=O)cc1)C(=O)[O-] ZINC001589036642 955553393 /nfs/dbraw/zinc/55/33/93/955553393.db2.gz FMUORRINUSWESC-SECBINFHSA-N -1 0 321.333 -0.120 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@@]2(CCO[C@@H]2C)C1)C(=O)[O-] ZINC001589036677 955554305 /nfs/dbraw/zinc/55/43/05/955554305.db2.gz HWPAFRWSAVPBMY-RULNRJAQSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C)C(=O)[O-] ZINC001589036795 955554372 /nfs/dbraw/zinc/55/43/72/955554372.db2.gz MNKGPIZYYNRNRB-QKUZVNEOSA-N -1 0 304.368 -0.809 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@H]1C)C(=O)[O-] ZINC001589036794 955554706 /nfs/dbraw/zinc/55/47/06/955554706.db2.gz MNKGPIZYYNRNRB-GFIAGRMLSA-N -1 0 304.368 -0.809 20 0 DBADRM C[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1nnc2n1CCC2 ZINC001589037024 955555813 /nfs/dbraw/zinc/55/58/13/955555813.db2.gz RAQWOZSLSUBEBE-JGVFFNPUSA-N -1 0 309.326 -0.762 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001593862829 955559689 /nfs/dbraw/zinc/55/96/89/955559689.db2.gz VCCQJWWCUYQZPV-MWGHHZFTSA-N -1 0 315.322 -0.297 20 0 DBADRM COC(=O)[C@@]1(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)C[C@H](O)C1 ZINC001593865262 955572818 /nfs/dbraw/zinc/57/28/18/955572818.db2.gz IZVQWLAPAXCWFK-RUMNANIHSA-N -1 0 315.322 -0.561 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC001589039613 955582556 /nfs/dbraw/zinc/58/25/56/955582556.db2.gz PCSYZDWCEWBCFV-QMMMGPOBSA-N -1 0 322.383 -0.895 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC(C(=O)[O-])CC1)Cn1cccn1 ZINC001589039556 955582672 /nfs/dbraw/zinc/58/26/72/955582672.db2.gz OIDPJHURIXRLGP-NSHDSACASA-N -1 0 322.365 -0.041 20 0 DBADRM C[C@H](CN1CCOCC1)N(C)C(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001589040209 955590655 /nfs/dbraw/zinc/59/06/55/955590655.db2.gz YWWCBSJPNNFPRZ-RISCZKNCSA-N -1 0 300.355 -0.201 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)Cn3cncn3)C2)cn1 ZINC001594538056 955596143 /nfs/dbraw/zinc/59/61/43/955596143.db2.gz DQLYBNIUKJXZCL-GHMZBOCLSA-N -1 0 318.337 -0.272 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3ncn(C)n3)C2)cn1 ZINC001594538629 955605264 /nfs/dbraw/zinc/60/52/64/955605264.db2.gz MNIPOSNCCAYEEB-NXEZZACHSA-N -1 0 318.337 -0.121 20 0 DBADRM COC(=O)c1cc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)nn1C ZINC001593872055 955646267 /nfs/dbraw/zinc/64/62/67/955646267.db2.gz LGXITMQSVIZLMS-LBPRGKRZSA-N -1 0 312.282 -0.428 20 0 DBADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)CCNC(N)=O)C2)cn1 ZINC001594541435 955653880 /nfs/dbraw/zinc/65/38/80/955653880.db2.gz XTSQNBAETTYSBO-VHSXEESVSA-N -1 0 323.353 -0.505 20 0 DBADRM COC(=O)c1cc2c(cc1NC(=O)C(=O)NCC(=O)[O-])OCO2 ZINC001593874994 955656774 /nfs/dbraw/zinc/65/67/74/955656774.db2.gz SMHMORGKNGDOFP-UHFFFAOYSA-N -1 0 324.245 -0.659 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)n(C)c1 ZINC001593875225 955658686 /nfs/dbraw/zinc/65/86/86/955658686.db2.gz BPDCFHZOUWQUAY-QMMMGPOBSA-N -1 0 316.335 -0.093 20 0 DBADRM Cn1cc(CCCn2nnnc2N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC001594541734 955659794 /nfs/dbraw/zinc/65/97/94/955659794.db2.gz KUQGCGXJGOWLSY-LLVKDONJSA-N -1 0 305.342 -0.050 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-])n[nH]1 ZINC001593875300 955659814 /nfs/dbraw/zinc/65/98/14/955659814.db2.gz GZXOWBFFRVMOIK-ZCFIWIBFSA-N -1 0 305.312 -0.463 20 0 DBADRM Cn1cc(CNC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cn1 ZINC001594543308 955673390 /nfs/dbraw/zinc/67/33/90/955673390.db2.gz YIQSCWIXNDLRPM-JTQLQIEISA-N -1 0 308.338 -0.250 20 0 DBADRM COC(=O)c1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCOC2)cn1 ZINC001593877122 955685573 /nfs/dbraw/zinc/68/55/73/955685573.db2.gz JOLUSQBGFSDFPB-AWEZNQCLSA-N -1 0 308.290 -0.229 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1=O ZINC001594548240 955696524 /nfs/dbraw/zinc/69/65/24/955696524.db2.gz KMZHELAZODLLGY-AWEZNQCLSA-N -1 0 307.306 -0.353 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)nn1 ZINC001594548631 955700783 /nfs/dbraw/zinc/70/07/83/955700783.db2.gz QNFNKBZJJRTRKG-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC001594549211 955708359 /nfs/dbraw/zinc/70/83/59/955708359.db2.gz BQZJXUYVGIRLEE-RQJHMYQMSA-N -1 0 317.323 -0.983 20 0 DBADRM COC(=O)c1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)nn1 ZINC001593881172 955710754 /nfs/dbraw/zinc/71/07/54/955710754.db2.gz CXZYWNAEBKGGPI-LBPRGKRZSA-N -1 0 310.266 -0.372 20 0 DBADRM C[C@@H](CNC(=O)c1cn(CC(=O)[O-])nn1)N1CCCCC1=O ZINC001589062970 955728962 /nfs/dbraw/zinc/72/89/62/955728962.db2.gz CZPHNILYGJLKHL-VIFPVBQESA-N -1 0 309.326 -0.507 20 0 DBADRM COC(=O)c1cccc(NC(=O)C(=O)N(C)CCC(=O)[O-])n1 ZINC001593884603 955734542 /nfs/dbraw/zinc/73/45/42/955734542.db2.gz GEKOJUKSLKDBSG-UHFFFAOYSA-N -1 0 309.278 -0.260 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN[C@@]2(C(=O)[O-])CCOC2)n1 ZINC001593884937 955736333 /nfs/dbraw/zinc/73/63/33/955736333.db2.gz HXOOMQVGWDEHOZ-AWEZNQCLSA-N -1 0 323.305 -0.360 20 0 DBADRM Cn1ccnc1[C@@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(C)(C)CO ZINC001594553788 955743547 /nfs/dbraw/zinc/74/35/47/955743547.db2.gz DQZSPPQNLAPPJA-NXEZZACHSA-N -1 0 324.337 -0.175 20 0 DBADRM Cn1ccnc1CN1CCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001594555532 955756764 /nfs/dbraw/zinc/75/67/64/955756764.db2.gz JBRJAIIFBCVGPH-LBPRGKRZSA-N -1 0 321.381 -0.777 20 0 DBADRM Cn1cnc(-c2ccc(NC(=O)C(=O)NCC(=O)[O-])cc2)n1 ZINC001594556458 955766796 /nfs/dbraw/zinc/76/67/96/955766796.db2.gz HONCDRBKHCHCJF-UHFFFAOYSA-N -1 0 303.278 -0.379 20 0 DBADRM COC(=O)c1cnc([C@H](C)NCC(=O)NCC(=O)[O-])s1 ZINC001593890225 955770202 /nfs/dbraw/zinc/77/02/02/955770202.db2.gz AQBLSMSXMVNVIO-LURJTMIESA-N -1 0 301.324 -0.219 20 0 DBADRM Cn1cnc2c1nccc2C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001594557298 955772699 /nfs/dbraw/zinc/77/26/99/955772699.db2.gz CXULUOQEWXYCDP-VIFPVBQESA-N -1 0 318.289 -0.189 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)nn1 ZINC001593890863 955778906 /nfs/dbraw/zinc/77/89/06/955778906.db2.gz OVMMFBPOCPHQAJ-IUCAKERBSA-N -1 0 310.310 -0.366 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)n1 ZINC001594557832 955780939 /nfs/dbraw/zinc/78/09/39/955780939.db2.gz MDCOFNLPVRPCEQ-UHFFFAOYSA-N -1 0 317.305 -0.554 20 0 DBADRM Cn1cnc(CCCNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001594557798 955781223 /nfs/dbraw/zinc/78/12/23/955781223.db2.gz KGKACLOOZRSQLR-SNVBAGLBSA-N -1 0 323.353 -0.813 20 0 DBADRM COC(=O)c1ccn(CCCC(=O)NC[C@](C)(O)C(=O)[O-])n1 ZINC001593891660 955789308 /nfs/dbraw/zinc/78/93/08/955789308.db2.gz MPONIANCMUFUST-ZDUSSCGKSA-N -1 0 313.310 -0.598 20 0 DBADRM Cn1cnn(CCC(=O)NC2(CC(=O)[O-])CCOCC2)c1=O ZINC001594558622 955789335 /nfs/dbraw/zinc/78/93/35/955789335.db2.gz POIQFFJIBGMBBC-UHFFFAOYSA-N -1 0 312.326 -0.888 20 0 DBADRM Cn1cnnc1[C@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594560128 955799144 /nfs/dbraw/zinc/79/91/44/955799144.db2.gz YVVMLZAXZSWBKB-WCBMZHEXSA-N -1 0 307.310 -0.249 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCCC1)OC(=O)COCC(=O)[O-] ZINC001589075950 955810571 /nfs/dbraw/zinc/81/05/71/955810571.db2.gz CMBISLSAOWGMCI-VIFPVBQESA-N -1 0 309.340 -0.555 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C1CC1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001589076184 955813328 /nfs/dbraw/zinc/81/33/28/955813328.db2.gz FQULSQMEFPGFPA-MWLCHTKSSA-N -1 0 318.395 -0.431 20 0 DBADRM COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CC(C(=O)[O-])=NO1)CC2 ZINC001593894868 955818738 /nfs/dbraw/zinc/81/87/38/955818738.db2.gz JHPZJAIRWBBURZ-SECBINFHSA-N -1 0 322.277 -0.690 20 0 DBADRM Cn1nccc1C1(O)CN(C(=O)c2cc(C(=O)[O-])nn2C)C1 ZINC001594564180 955822042 /nfs/dbraw/zinc/82/20/42/955822042.db2.gz NIBRESROSOBWBS-UHFFFAOYSA-N -1 0 305.294 -0.805 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001594564186 955822562 /nfs/dbraw/zinc/82/25/62/955822562.db2.gz NWUKBLVJPDWXQE-SECBINFHSA-N -1 0 321.337 -0.206 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCC(C)(C)CS(N)(=O)=O ZINC001594564752 955829799 /nfs/dbraw/zinc/82/97/99/955829799.db2.gz CYVWZMDQBDPSKG-UHFFFAOYSA-N -1 0 318.355 -0.837 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589077033 955830473 /nfs/dbraw/zinc/83/04/73/955830473.db2.gz OGCZNTOJAMLAPA-FHZGZLOMSA-N -1 0 300.336 -0.570 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@H](CO)[C@@H](O)c1cccnc1 ZINC001594564861 955832405 /nfs/dbraw/zinc/83/24/05/955832405.db2.gz INPSHZJYAMIJJY-PWSUYJOCSA-N -1 0 320.305 -0.662 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001594565638 955841291 /nfs/dbraw/zinc/84/12/91/955841291.db2.gz IOVMNCAGWYMEGT-ZDUSSCGKSA-N -1 0 324.293 -0.931 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001594565666 955842981 /nfs/dbraw/zinc/84/29/81/955842981.db2.gz KHZIMPUDQQCNDC-ZJUUUORDSA-N -1 0 308.338 -0.289 20 0 DBADRM COC(=O)c1ncoc1CCC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001593898416 955846015 /nfs/dbraw/zinc/84/60/15/955846015.db2.gz QWAHFWZTCMZKHZ-ZDUSSCGKSA-N -1 0 312.278 -0.246 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C(N)=O)C1 ZINC001594566096 955848364 /nfs/dbraw/zinc/84/83/64/955848364.db2.gz ZBJNLQJXBAQKGH-QMMMGPOBSA-N -1 0 309.326 -0.361 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001589081515 955859355 /nfs/dbraw/zinc/85/93/55/955859355.db2.gz QFKMHZZWPVOXOW-GHMZBOCLSA-N -1 0 323.353 -0.504 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001593900201 955860501 /nfs/dbraw/zinc/86/05/01/955860501.db2.gz BRTNFWKZGIZGQA-IUCAKERBSA-N -1 0 320.342 -0.570 20 0 DBADRM C[C@H](Cc1ccncc1)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001589082737 955872900 /nfs/dbraw/zinc/87/29/00/955872900.db2.gz WESGVZNTTBODNW-PWSUYJOCSA-N -1 0 321.333 -0.559 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC001593901963 955879738 /nfs/dbraw/zinc/87/97/38/955879738.db2.gz JLCKPVWNRLVYEX-NSHDSACASA-N -1 0 314.338 -0.817 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC001593901962 955879977 /nfs/dbraw/zinc/87/99/77/955879977.db2.gz JLCKPVWNRLVYEX-LLVKDONJSA-N -1 0 314.338 -0.817 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC001593902270 955882584 /nfs/dbraw/zinc/88/25/84/955882584.db2.gz OIKDLEHRJPUHMY-GHMZBOCLSA-N -1 0 311.338 -0.208 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC001593902271 955882823 /nfs/dbraw/zinc/88/28/23/955882823.db2.gz OIKDLEHRJPUHMY-MNOVXSKESA-N -1 0 311.338 -0.208 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001589083780 955884259 /nfs/dbraw/zinc/88/42/59/955884259.db2.gz ROPBVLWTMUWXFH-ONGXEEELSA-N -1 0 309.322 -0.173 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)c1ccc(C(=O)[O-])nc1)C(N)=O ZINC001589083936 955886362 /nfs/dbraw/zinc/88/63/62/955886362.db2.gz SZKRJBCTLLDTDN-CQSZACIVSA-N -1 0 317.305 -0.350 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC([C@]2(C)COC(=O)N2)CC1 ZINC001593902564 955886943 /nfs/dbraw/zinc/88/69/43/955886943.db2.gz TYOLYAFEWSSEDY-ZANVPECISA-N -1 0 300.311 -0.177 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001593904994 955901430 /nfs/dbraw/zinc/90/14/30/955901430.db2.gz MPTVBEKQMBXRED-CABZTGNLSA-N -1 0 305.352 -0.487 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ncn(C)n1 ZINC001589086197 955901887 /nfs/dbraw/zinc/90/18/87/955901887.db2.gz HMFWMQOGGJYRBS-ZJUUUORDSA-N -1 0 323.353 -0.294 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CC[S@](=O)C[C@@H]1c1cnn(C)c1 ZINC001593905110 955902333 /nfs/dbraw/zinc/90/23/33/955902333.db2.gz CYEHLXDXEZICSI-ULQSSITMSA-N -1 0 315.351 -0.848 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001593904995 955902549 /nfs/dbraw/zinc/90/25/49/955902549.db2.gz MPTVBEKQMBXRED-JOYOIKCWSA-N -1 0 305.352 -0.487 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])c1ncnn1C ZINC001589086345 955902679 /nfs/dbraw/zinc/90/26/79/955902679.db2.gz ILJCZCSVPHVITG-SSDOTTSWSA-N -1 0 318.293 -0.276 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001593905213 955904333 /nfs/dbraw/zinc/90/43/33/955904333.db2.gz GMEJMYDDVAJGIJ-SECBINFHSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccns1 ZINC001589086877 955908760 /nfs/dbraw/zinc/90/87/60/955908760.db2.gz WNMJBGHONPTDEL-JGVFFNPUSA-N -1 0 313.335 -0.368 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001589088409 955918632 /nfs/dbraw/zinc/91/86/32/955918632.db2.gz UUIXHFNGCZFNHV-BDAKNGLRSA-N -1 0 314.338 -0.234 20 0 DBADRM Cn1nc(CC(=O)NC[C@@](C)(O)C(=O)[O-])c2ccccc2c1=O ZINC001594576823 955924638 /nfs/dbraw/zinc/92/46/38/955924638.db2.gz KNJKGMZXSVWOHO-OAHLLOKOSA-N -1 0 319.317 -0.572 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC001593907266 955937334 /nfs/dbraw/zinc/93/73/34/955937334.db2.gz BNYBGIQSMSDLJE-SNVBAGLBSA-N -1 0 316.335 -0.819 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001593907386 955937978 /nfs/dbraw/zinc/93/79/78/955937978.db2.gz XMYOJYGUNKKRDQ-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC001593907711 955944136 /nfs/dbraw/zinc/94/41/36/955944136.db2.gz NAQCMGIFZIXRTJ-DCAQKATOSA-N -1 0 301.339 -0.230 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCCc1ncn(C)c1Br ZINC001593907897 955947025 /nfs/dbraw/zinc/94/70/25/955947025.db2.gz BHMLZXZNLOECRY-ZETCQYMHSA-N -1 0 320.143 -0.059 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ccnn1C ZINC001589091795 955949080 /nfs/dbraw/zinc/94/90/80/955949080.db2.gz HRUQSZVISDREMZ-NXEZZACHSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ncnn1C ZINC001589092227 955955009 /nfs/dbraw/zinc/95/50/09/955955009.db2.gz LGPQYXJFJMKIPZ-DTWKUNHWSA-N -1 0 309.326 -0.685 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1ccccc1S(C)(=O)=O ZINC001593908868 955955539 /nfs/dbraw/zinc/95/55/39/955955539.db2.gz NFNCNTXWZMIGFD-SNVBAGLBSA-N -1 0 301.320 -0.194 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2C[C@@H](O)C(C)(C)C2)c1C(=O)[O-] ZINC000387803952 972140292 /nfs/dbraw/zinc/14/02/92/972140292.db2.gz BFVKBSASDAJNKS-SSDOTTSWSA-N -1 0 303.340 -0.192 20 0 DBADRM Cn1ncc(Cl)c1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001594586348 956001659 /nfs/dbraw/zinc/00/16/59/956001659.db2.gz IXNDVCNDRKEMDD-SSDOTTSWSA-N -1 0 301.686 -0.084 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)O[C@H](C)CS(=O)(=O)N1CCCC1 ZINC001593914042 956005061 /nfs/dbraw/zinc/00/50/61/956005061.db2.gz DIGROSYLJPNHGC-RKDXNWHRSA-N -1 0 309.340 -0.557 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@H]1CCC[C@H](C(N)=O)C1)C(=O)[O-] ZINC001594587889 956016141 /nfs/dbraw/zinc/01/61/41/956016141.db2.gz OLPIBTZEFFRICZ-QXEWZRGKSA-N -1 0 308.338 -0.046 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)C(=O)Nc1ccc(F)nc1)C(=O)[O-] ZINC001594587963 956016545 /nfs/dbraw/zinc/01/65/45/956016545.db2.gz OZMDPDXUMPCJNS-SNVBAGLBSA-N -1 0 321.268 -0.165 20 0 DBADRM Cn1nccc1[C@H](NC(=O)C(=O)Nc1cccnc1F)C(=O)[O-] ZINC001594588195 956018018 /nfs/dbraw/zinc/01/80/18/956018018.db2.gz SGTFJNKPAQXELY-VIFPVBQESA-N -1 0 321.268 -0.165 20 0 DBADRM Cn1nccc1[C@H](NC(=O)Nc1cc(=O)n(C)cn1)C(=O)[O-] ZINC001594589123 956031669 /nfs/dbraw/zinc/03/16/69/956031669.db2.gz QJCLYLHIHCCKLI-JTQLQIEISA-N -1 0 306.282 -0.539 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CCC(=O)N1CCOCC1)C(=O)[O-] ZINC001594589468 956037197 /nfs/dbraw/zinc/03/71/97/956037197.db2.gz VWTZGRIJFPTMFY-ZDUSSCGKSA-N -1 0 324.337 -0.699 20 0 DBADRM C[C@H](NC(=O)NCCS(N)(=O)=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589108503 956046316 /nfs/dbraw/zinc/04/63/16/956046316.db2.gz CDCAUPIDNWQWFA-XHNCKOQMSA-N -1 0 321.399 -0.291 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)c1cccn2c(=O)[nH]nc12)C(=O)[O-] ZINC001594590349 956051915 /nfs/dbraw/zinc/05/19/15/956051915.db2.gz LDJUFOHXZUQFID-SECBINFHSA-N -1 0 316.277 -0.276 20 0 DBADRM Cn1nccc1[C@H](NC(=O)c1cccn2c(=O)[nH]nc12)C(=O)[O-] ZINC001594590350 956052061 /nfs/dbraw/zinc/05/20/61/956052061.db2.gz LDJUFOHXZUQFID-VIFPVBQESA-N -1 0 316.277 -0.276 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589112383 956062478 /nfs/dbraw/zinc/06/24/78/956062478.db2.gz AOLHUSHIXSFBBX-MAUMQABQSA-N -1 0 311.338 -0.164 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(C(=O)c2cccn2C)CC1 ZINC001593922197 956089975 /nfs/dbraw/zinc/08/99/75/956089975.db2.gz GSZPAAQBOHVCDD-HNNXBMFYSA-N -1 0 323.349 -0.201 20 0 DBADRM Cn1nccc1[C@@H]1COCCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001594596342 956094612 /nfs/dbraw/zinc/09/46/12/956094612.db2.gz FZOYPUIFIBYTNU-QWRGUYRKSA-N -1 0 308.294 -0.451 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCCc2ccc(C(N)=O)nc21 ZINC001593922569 956098296 /nfs/dbraw/zinc/09/82/96/956098296.db2.gz STMQJQYOAKLWLU-AWEZNQCLSA-N -1 0 307.306 -0.051 20 0 DBADRM Cn1nccc1CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001594596931 956101302 /nfs/dbraw/zinc/10/13/02/956101302.db2.gz MTYGDRUNPCAHPC-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(Cc2noc(C)n2)CC1 ZINC001593922990 956103236 /nfs/dbraw/zinc/10/32/36/956103236.db2.gz ZZVQEFHUQGVBMS-ZDUSSCGKSA-N -1 0 312.326 -0.488 20 0 DBADRM Cn1nccc1[C@H]1CN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001594597280 956104626 /nfs/dbraw/zinc/10/46/26/956104626.db2.gz SUUFKJCPYAOAGS-GHMZBOCLSA-N -1 0 308.294 -0.451 20 0 DBADRM Cn1nccc1CCn1nnnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001594597308 956104774 /nfs/dbraw/zinc/10/47/74/956104774.db2.gz TXLMHDOEFNYKNC-SNVBAGLBSA-N -1 0 305.342 -0.050 20 0 DBADRM Cn1nccc1[C@H]1CN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001594597286 956105180 /nfs/dbraw/zinc/10/51/80/956105180.db2.gz SUUFKJCPYAOAGS-WDEREUQCSA-N -1 0 308.294 -0.451 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001593924757 956107779 /nfs/dbraw/zinc/10/77/79/956107779.db2.gz CWGPJQNUWIDYOQ-PTRXPTGYSA-N -1 0 322.383 -0.690 20 0 DBADRM Cn1nnc2cc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])ccc21 ZINC001594597795 956108715 /nfs/dbraw/zinc/10/87/15/956108715.db2.gz DZLDQFHEBWAZMK-NSHDSACASA-N -1 0 314.323 -0.918 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001594598513 956112779 /nfs/dbraw/zinc/11/27/79/956112779.db2.gz SETIDVDGQTVKCN-VIFPVBQESA-N -1 0 311.323 -0.816 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C)C1 ZINC001593925335 956115008 /nfs/dbraw/zinc/11/50/08/956115008.db2.gz QMTOHQGHWFAXAB-JFUSQASVSA-N -1 0 305.352 -0.631 20 0 DBADRM Cn1ncnc1CN1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001594598890 956116872 /nfs/dbraw/zinc/11/68/72/956116872.db2.gz DHUJLKQHRVRBOL-SNVBAGLBSA-N -1 0 307.354 -0.287 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCC[S@](=O)CC(F)(F)F ZINC001593925770 956123257 /nfs/dbraw/zinc/12/32/57/956123257.db2.gz GFJPGBGBIAECPZ-YLVJLNSGSA-N -1 0 305.274 -0.097 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCc1cn(C(C)C)c(=O)[nH]c1=O ZINC001593926057 956126874 /nfs/dbraw/zinc/12/68/74/956126874.db2.gz ADDQJTWINSBEMG-CYBMUJFWSA-N -1 0 313.310 -0.364 20 0 DBADRM Cn1nnnc1CN1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001594602627 956148613 /nfs/dbraw/zinc/14/86/13/956148613.db2.gz WHODGGKBHLKRPM-SECBINFHSA-N -1 0 308.342 -0.892 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001593928288 956152584 /nfs/dbraw/zinc/15/25/84/956152584.db2.gz WOXACKNLBVGQPN-NKDKAASFSA-N -1 0 319.379 -0.052 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)O[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001593930701 956175079 /nfs/dbraw/zinc/17/50/79/956175079.db2.gz MMXLCBZBZWHAPV-IGJMFERPSA-N -1 0 303.311 -0.297 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000388266757 972163188 /nfs/dbraw/zinc/16/31/88/972163188.db2.gz MBZXKKPBUOVXTJ-ZETCQYMHSA-N -1 0 309.365 -0.190 20 0 DBADRM COC(=O)C[C@H](NC(=O)CCNC(=O)c1ccco1)C(=O)[O-] ZINC000388266201 972163203 /nfs/dbraw/zinc/16/32/03/972163203.db2.gz XKIKOJWSKOVWMN-QMMMGPOBSA-N -1 0 312.278 -0.468 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)OCc1coc(S(N)(=O)=O)c1 ZINC001593934058 956210867 /nfs/dbraw/zinc/21/08/67/956210867.db2.gz SCVXEINXSUPDOG-JTQLQIEISA-N -1 0 307.280 -0.540 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001593938014 956240841 /nfs/dbraw/zinc/24/08/41/956240841.db2.gz AOJMULKDXWZUOM-GMTAPVOTSA-N -1 0 314.338 -0.913 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1ccnn1CC1CC1)C(=O)[O-] ZINC001589137940 956241506 /nfs/dbraw/zinc/24/15/06/956241506.db2.gz DBSSXLXQPCLCBK-CYBMUJFWSA-N -1 0 310.310 -0.817 20 0 DBADRM C[C@](O)(CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C1CC1 ZINC001589138178 956243409 /nfs/dbraw/zinc/24/34/09/956243409.db2.gz ITRUXPKVGMCHSR-LBPRGKRZSA-N -1 0 319.379 -0.457 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F)C(=O)[O-] ZINC001589138382 956246496 /nfs/dbraw/zinc/24/64/96/956246496.db2.gz DBVYPHCGMTXDFW-ZTNVNUCQSA-N -1 0 312.244 -0.747 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1cccc(F)c1F)C(=O)[O-] ZINC001589138924 956254599 /nfs/dbraw/zinc/25/45/99/956254599.db2.gz WPWLYUXBKLNYSG-LBPRGKRZSA-N -1 0 302.233 -0.145 20 0 DBADRM C[C@](O)(CNC(=O)CC[C@H]1CC[C@H](C2OCCO2)O1)C(=O)[O-] ZINC001589139499 956259871 /nfs/dbraw/zinc/25/98/71/956259871.db2.gz WSPGPUNWJBADFC-RULNRJAQSA-N -1 0 317.338 -0.361 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C(F)(F)F ZINC001593939225 956262989 /nfs/dbraw/zinc/26/29/89/956262989.db2.gz ZFWMEZXGLBDRGD-NKWVEPMBSA-N -1 0 314.260 -0.141 20 0 DBADRM C[C@](O)(CNC(=O)Cc1ccn(CC(F)(F)F)n1)C(=O)[O-] ZINC001589140144 956263465 /nfs/dbraw/zinc/26/34/65/956263465.db2.gz BMNSJTJPDVLDKK-JTQLQIEISA-N -1 0 309.244 -0.060 20 0 DBADRM COC1([C@H](C)NC(=O)C(=O)N(C)CCC(=O)[O-])CCOCC1 ZINC001593943142 956296038 /nfs/dbraw/zinc/29/60/38/956296038.db2.gz GDNUONVMVRYCFQ-JTQLQIEISA-N -1 0 316.354 -0.380 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CCOC1 ZINC001593943229 956297382 /nfs/dbraw/zinc/29/73/82/956297382.db2.gz AYCRGBDZINNEFV-NOZJJQNGSA-N -1 0 302.327 -0.913 20 0 DBADRM CO[C@]1(CNC(=O)C2(CC(=O)[O-])CCC2)CCS(=O)(=O)C1 ZINC001593943459 956300722 /nfs/dbraw/zinc/30/07/22/956300722.db2.gz IEDLGRGNGMSSKS-ZDUSSCGKSA-N -1 0 319.379 -0.049 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001589147086 956303029 /nfs/dbraw/zinc/30/30/29/956303029.db2.gz PNNLNWIQKBUUCR-HQJQHLMTSA-N -1 0 310.310 -0.818 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CCOC1 ZINC001593943867 956306895 /nfs/dbraw/zinc/30/68/95/956306895.db2.gz SOWDNEGIMFEHFR-HZMBPMFUSA-N -1 0 316.354 -0.619 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1ccnn1C1CCC1)C(=O)[O-] ZINC001589148313 956320745 /nfs/dbraw/zinc/32/07/45/956320745.db2.gz PYENPMCWFXOFQE-NSHDSACASA-N -1 0 303.340 -0.278 20 0 DBADRM COC1(CS(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)CCOCC1 ZINC001593945568 956323843 /nfs/dbraw/zinc/32/38/43/956323843.db2.gz BVQRPXGPHXLMFZ-GFCCVEGCSA-N -1 0 323.367 -0.655 20 0 DBADRM COC1(CS(=O)(=O)N2CCOC[C@H]2C(=O)[O-])CCOCC1 ZINC001593945787 956326956 /nfs/dbraw/zinc/32/69/56/956326956.db2.gz KTMDZEUARCIWOS-JTQLQIEISA-N -1 0 323.367 -0.703 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C1CC1 ZINC001589152375 956335463 /nfs/dbraw/zinc/33/54/63/956335463.db2.gz NWJGZQVVQVQWEO-QMMMGPOBSA-N -1 0 310.310 -0.722 20 0 DBADRM C[C@H](O)CN(C(=O)NCC1(C(=O)[O-])CCOCC1)[C@@H](C)CO ZINC001589152491 956337617 /nfs/dbraw/zinc/33/76/17/956337617.db2.gz OXDSLHCZEOLAHK-QWRGUYRKSA-N -1 0 318.370 -0.359 20 0 DBADRM C[C@@H](O)CN(C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589152681 956339807 /nfs/dbraw/zinc/33/98/07/956339807.db2.gz RXKGWLPFHBUYEB-ZJUUUORDSA-N -1 0 301.343 -0.526 20 0 DBADRM COC1(OC)CCOC[C@@H]1NC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001593947464 956342066 /nfs/dbraw/zinc/34/20/66/956342066.db2.gz IYMPAXAXJIULCN-BDAKNGLRSA-N -1 0 302.283 -0.890 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CCO1 ZINC001589153353 956347628 /nfs/dbraw/zinc/34/76/28/956347628.db2.gz QVBHRCHUSSDXSN-JOYOIKCWSA-N -1 0 322.317 -0.069 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593950560 956376927 /nfs/dbraw/zinc/37/69/27/956376927.db2.gz BWBIMVZVEAOGQS-VXGBXAGGSA-N -1 0 324.333 -0.191 20 0 DBADRM CO[C@H]1COCC[C@@H]1N(C)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593950559 956377629 /nfs/dbraw/zinc/37/76/29/956377629.db2.gz BWBIMVZVEAOGQS-RYUDHWBXSA-N -1 0 324.333 -0.191 20 0 DBADRM CO[C@@H]1COCC[C@H]1CNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001593950697 956380038 /nfs/dbraw/zinc/38/00/38/956380038.db2.gz FRJWLISQOXDLFJ-HBNTYKKESA-N -1 0 302.327 -0.467 20 0 DBADRM NC(=O)[C@@H](C1CC1)N(CCS(=O)(=O)CC(=O)[O-])CC1CC1 ZINC001594637073 956380931 /nfs/dbraw/zinc/38/09/31/956380931.db2.gz UOKGJHKGKYRRNW-GFCCVEGCSA-N -1 0 318.395 -0.538 20 0 DBADRM NC(=O)[C@@H](F)C1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001594637156 956383056 /nfs/dbraw/zinc/38/30/56/956383056.db2.gz XCXGVEZRANYBSM-JTQLQIEISA-N -1 0 310.285 -0.150 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])[C@](C)(CO)C1 ZINC001593950984 956383655 /nfs/dbraw/zinc/38/36/55/956383655.db2.gz GFPHPYSOAYZWJJ-BFVZDQMLSA-N -1 0 316.354 -0.836 20 0 DBADRM NC(=O)[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccccn1 ZINC001594637180 956384332 /nfs/dbraw/zinc/38/43/32/956384332.db2.gz XWIOPZZBIOGZLI-OUJBWJOFSA-N -1 0 321.333 -0.006 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC001594637817 956385290 /nfs/dbraw/zinc/38/52/90/956385290.db2.gz AYGISMVKWVEIPT-ZJUUUORDSA-N -1 0 311.338 -0.967 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)Nc2ccnc(C(=O)[O-])c2)O1 ZINC001594638123 956388651 /nfs/dbraw/zinc/38/86/51/956388651.db2.gz KQWGAHHJYJZOHZ-SCZZXKLOSA-N -1 0 308.294 -0.066 20 0 DBADRM CO[C@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCO1 ZINC001593951354 956389384 /nfs/dbraw/zinc/38/93/84/956389384.db2.gz NVLPONUEYMHQRX-SNVBAGLBSA-N -1 0 302.327 -0.118 20 0 DBADRM CO[C@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])CC[C@H]1C ZINC001593951440 956391430 /nfs/dbraw/zinc/39/14/30/956391430.db2.gz PPTLOCADXHEHBI-ZJUUUORDSA-N -1 0 302.327 -0.913 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593951423 956391639 /nfs/dbraw/zinc/39/16/39/956391639.db2.gz ONZPBTSJZXIQRC-XFWSIPNHSA-N -1 0 320.367 -0.649 20 0 DBADRM NC(=O)C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001594638261 956391971 /nfs/dbraw/zinc/39/19/71/956391971.db2.gz FTPYXJNYKSVMQH-UWVGGRQHSA-N -1 0 319.383 -0.632 20 0 DBADRM NC(=O)C[C@H]1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001594638806 956397144 /nfs/dbraw/zinc/39/71/44/956397144.db2.gz NRWWOWSDPVUMIP-MRVPVSSYSA-N -1 0 320.305 -0.558 20 0 DBADRM CO[C@@H]1COCC[C@@H]1Cn1nnnc1N(C)C[C@H](C)C(=O)[O-] ZINC001593952078 956400877 /nfs/dbraw/zinc/40/08/77/956400877.db2.gz ZKRQNUWQSBBVPX-HBNTYKKESA-N -1 0 313.358 -0.119 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)Nc2cccnc2C(=O)[O-])CCO1 ZINC001594639306 956402913 /nfs/dbraw/zinc/40/29/13/956402913.db2.gz WRHXLHZWVOWWRY-QMMMGPOBSA-N -1 0 308.294 -0.112 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)Nc2cccnc2C(=O)[O-])CCO1 ZINC001594639304 956403142 /nfs/dbraw/zinc/40/31/42/956403142.db2.gz WRHXLHZWVOWWRY-MRVPVSSYSA-N -1 0 308.294 -0.112 20 0 DBADRM COCC(=O)NCCC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001593952938 956408323 /nfs/dbraw/zinc/40/83/23/956408323.db2.gz HRHMYIZXEHJTRU-UHFFFAOYSA-N -1 0 302.327 -0.863 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)C2(C(=O)[O-])CCSCC2)CCO1 ZINC001594640151 956412077 /nfs/dbraw/zinc/41/20/77/956412077.db2.gz DVSZFOQZCMOKCV-MRVPVSSYSA-N -1 0 302.352 -0.703 20 0 DBADRM COC[C@@H](C)CS(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593956119 956426917 /nfs/dbraw/zinc/42/69/17/956426917.db2.gz JXVHEIKILGNYOX-SCVCMEIPSA-N -1 0 307.368 -0.368 20 0 DBADRM NC(=O)CSCC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001594642080 956427020 /nfs/dbraw/zinc/42/70/20/956427020.db2.gz FWRKBAWXKHLKNW-UHFFFAOYSA-N -1 0 304.368 -0.313 20 0 DBADRM COC[C@H](C)NC(=S)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593956466 956431616 /nfs/dbraw/zinc/43/16/16/956431616.db2.gz XWCBBSNBSXGCJG-VHSXEESVSA-N -1 0 317.411 -0.049 20 0 DBADRM COC[C@H](NC(=O)N1CCO[C@](COC)(C(=O)[O-])C1)C1CC1 ZINC001593956602 956434409 /nfs/dbraw/zinc/43/44/09/956434409.db2.gz FFXHTNNRPCOKBQ-SMDDNHRTSA-N -1 0 316.354 -0.077 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001594644648 956434839 /nfs/dbraw/zinc/43/48/39/956434839.db2.gz IMXQKSQLDNIQFM-IUCAKERBSA-N -1 0 313.310 -0.994 20 0 DBADRM COC[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)[C@H]1CCCO1 ZINC001593956815 956436300 /nfs/dbraw/zinc/43/63/00/956436300.db2.gz KCPBZILTYVMHAK-GARJFASQSA-N -1 0 314.338 -0.770 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594645297 956437577 /nfs/dbraw/zinc/43/75/77/956437577.db2.gz PTHADAVPJUZOPA-QJPTWQEYSA-N -1 0 321.333 -0.658 20 0 DBADRM NC(=O)N1CCCN(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CC1 ZINC001594645948 956438543 /nfs/dbraw/zinc/43/85/43/956438543.db2.gz YJCHQGICRVVWQT-MNOVXSKESA-N -1 0 313.354 -0.131 20 0 DBADRM COC[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)[C@H]1CCCO1 ZINC001593957330 956445259 /nfs/dbraw/zinc/44/52/59/956445259.db2.gz MLUNKARYFFQASL-VXGBXAGGSA-N -1 0 324.333 -0.143 20 0 DBADRM COC[C@@H](CS(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)OC ZINC001593957519 956447546 /nfs/dbraw/zinc/44/75/46/956447546.db2.gz WAOIHMXOWXLVJJ-NHCYSSNCSA-N -1 0 323.367 -0.989 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000388654014 972184840 /nfs/dbraw/zinc/18/48/40/972184840.db2.gz SDHHWAZOACYVPJ-JTQLQIEISA-N -1 0 313.354 -0.225 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)OC ZINC001593958170 956457833 /nfs/dbraw/zinc/45/78/33/956457833.db2.gz QLKKQAMGRFSXKC-TVQRCGJNSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)OC ZINC001593958168 956457917 /nfs/dbraw/zinc/45/79/17/956457917.db2.gz QLKKQAMGRFSXKC-NOZJJQNGSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)OC ZINC001593958169 956458365 /nfs/dbraw/zinc/45/83/65/956458365.db2.gz QLKKQAMGRFSXKC-RNCFNFMXSA-N -1 0 302.327 -0.913 20 0 DBADRM NC(=O)c1cc(C(=O)NCCOCCOCC(=O)[O-])co1 ZINC001594649116 956458762 /nfs/dbraw/zinc/45/87/62/956458762.db2.gz WWUZMCIOBSHFCA-UHFFFAOYSA-N -1 0 300.267 -0.774 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)[nH]1 ZINC001594650056 956467043 /nfs/dbraw/zinc/46/70/43/956467043.db2.gz ZJSHKXUDWUZRKE-SNVBAGLBSA-N -1 0 322.321 -0.691 20 0 DBADRM C[C@H](SCC(=O)[O-])C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC001589169972 956467619 /nfs/dbraw/zinc/46/76/19/956467619.db2.gz VBRPXAOGHDYWCE-YFKPBYRVSA-N -1 0 301.324 -0.945 20 0 DBADRM NC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC001594650692 956472427 /nfs/dbraw/zinc/47/24/27/956472427.db2.gz KKLICQNVHGTXOK-SNVBAGLBSA-N -1 0 323.280 -0.061 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](O)Cc2cnn(C)c2)C1 ZINC001593960188 956480916 /nfs/dbraw/zinc/48/09/16/956480916.db2.gz PFXXSWPNRRWWHL-FZMZJTMJSA-N -1 0 311.338 -0.727 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC001594652381 956480995 /nfs/dbraw/zinc/48/09/95/956480995.db2.gz PBDVQKRTVPXPOX-JTQLQIEISA-N -1 0 305.290 -0.200 20 0 DBADRM NC(=O)c1cn(CCCCNC(=O)C2(C(=O)[O-])CCC2)nn1 ZINC001594653066 956483244 /nfs/dbraw/zinc/48/32/44/956483244.db2.gz BEIWUWJUNOKYMW-UHFFFAOYSA-N -1 0 309.326 -0.472 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001593961432 956485615 /nfs/dbraw/zinc/48/56/15/956485615.db2.gz BREJAYSMZVGUDE-GXFFZTMASA-N -1 0 319.379 -0.097 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)CCn2cnccc2=O)C1 ZINC001593961534 956488200 /nfs/dbraw/zinc/48/82/00/956488200.db2.gz GMHBKQQILNRZRC-CQSZACIVSA-N -1 0 309.322 -0.417 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)C1 ZINC001594653673 956488346 /nfs/dbraw/zinc/48/83/46/956488346.db2.gz CCYICLUWYWWDQU-ZJUUUORDSA-N -1 0 304.368 -0.233 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC001594653607 956488806 /nfs/dbraw/zinc/48/88/06/956488806.db2.gz AWBHUIIBURKNEG-UDNWOFFPSA-N -1 0 319.383 -0.298 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC001594653983 956492679 /nfs/dbraw/zinc/49/26/79/956492679.db2.gz IJITYHNUQRJRJM-SCZZXKLOSA-N -1 0 304.368 -0.376 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1 ZINC001594653950 956492842 /nfs/dbraw/zinc/49/28/42/956492842.db2.gz HDIVIAGKHZRSSL-KJNMHVQDSA-N -1 0 313.335 -0.898 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)Cn2cc([C@H](C)O)nn2)C1 ZINC001593962272 956499603 /nfs/dbraw/zinc/49/96/03/956499603.db2.gz DTQCLHJHRRQULQ-TVQRCGJNSA-N -1 0 312.326 -0.719 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC(C(=O)[O-])C2)c(F)c1 ZINC001594654856 956499833 /nfs/dbraw/zinc/49/98/33/956499833.db2.gz BJKNOTHTYVUWCM-UHFFFAOYSA-N -1 0 302.283 -0.370 20 0 DBADRM NS(=O)(=O)CCOCCNC(=O)C1(CC(=O)[O-])CCC1 ZINC001594657191 956505934 /nfs/dbraw/zinc/50/59/34/956505934.db2.gz BMDCNJOEWGUNMX-UHFFFAOYSA-N -1 0 308.356 -0.947 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001594657529 956506973 /nfs/dbraw/zinc/50/69/73/956506973.db2.gz HPXIEGUSFSTHOL-CIUDSAMLSA-N -1 0 305.356 -0.830 20 0 DBADRM NS(=O)(=O)N1CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001594657543 956508283 /nfs/dbraw/zinc/50/82/83/956508283.db2.gz IHEGPCXYHLXFSQ-GFCCVEGCSA-N -1 0 317.367 -0.855 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCC(=O)N(C)OC)C1 ZINC001593963664 956519643 /nfs/dbraw/zinc/51/96/43/956519643.db2.gz ZQLTWAFSYRNTBK-GFCCVEGCSA-N -1 0 303.315 -0.861 20 0 DBADRM NS(=O)(=O)c1ccsc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001594660026 956525862 /nfs/dbraw/zinc/52/58/62/956525862.db2.gz GAIBGWLXVYEARM-ZCFIWIBFSA-N -1 0 320.348 -0.679 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC001589184510 956554298 /nfs/dbraw/zinc/55/42/98/956554298.db2.gz XWJXPXFTWFACBP-GFCCVEGCSA-N -1 0 319.383 -0.632 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@](O)(C(F)F)C2)C1 ZINC001589186699 956559684 /nfs/dbraw/zinc/55/96/84/956559684.db2.gz AKHIIAPUYCKBIY-QWHCGFSZSA-N -1 0 320.292 -0.462 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001594665016 956564287 /nfs/dbraw/zinc/56/42/87/956564287.db2.gz LVJXTCBGRIHOBW-MRVPVSSYSA-N -1 0 320.309 -0.889 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC3(COC3)C2)CC1 ZINC001589187312 956565628 /nfs/dbraw/zinc/56/56/28/956565628.db2.gz PYZKLRHDYJIHSZ-UHFFFAOYSA-N -1 0 310.350 -0.051 20 0 DBADRM Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)CC2 ZINC001594665245 956568134 /nfs/dbraw/zinc/56/81/34/956568134.db2.gz VTXBWODTDKTUKT-XNCJUZBTSA-N -1 0 310.335 -0.072 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCCn3nncc3C2)C1 ZINC001589187757 956572641 /nfs/dbraw/zinc/57/26/41/956572641.db2.gz IFVFCSYBFKHUQN-CQSZACIVSA-N -1 0 321.337 -0.666 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C2(S(C)(=O)=O)CCOCC2)C1 ZINC001589188116 956575172 /nfs/dbraw/zinc/57/51/72/956575172.db2.gz AGRYDGTXUPARQL-GFCCVEGCSA-N -1 0 319.379 -0.097 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC001589188880 956583242 /nfs/dbraw/zinc/58/32/42/956583242.db2.gz KMRRIKWNPIBPFG-LBPRGKRZSA-N -1 0 313.335 -0.041 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC001589189053 956586943 /nfs/dbraw/zinc/58/69/43/956586943.db2.gz PVVGRRLBBRXVQP-GFCCVEGCSA-N -1 0 313.335 -0.192 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2nnnn2C2CCOCC2)C1 ZINC001593970193 956602037 /nfs/dbraw/zinc/60/20/37/956602037.db2.gz KCUQDZQGHZKZLW-CYBMUJFWSA-N -1 0 311.342 -0.048 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NC[C@@H]2CCCO2)CCO1 ZINC001593970502 956607400 /nfs/dbraw/zinc/60/74/00/956607400.db2.gz KIWNFVFQRSJDFR-GXFFZTMASA-N -1 0 302.327 -0.323 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@H]2CCOC[C@H]2C)CCO1 ZINC001593970543 956608597 /nfs/dbraw/zinc/60/85/97/956608597.db2.gz KSMUGHHWMWXUQZ-SUNKGSAMSA-N -1 0 316.354 -0.077 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H]2CCc3cncn3C2)CCO1 ZINC001593971136 956617598 /nfs/dbraw/zinc/61/75/98/956617598.db2.gz FAWBGZYEUIOPLO-XHDPSFHLSA-N -1 0 323.349 -0.226 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)COc2cc(C)on2)CCO1 ZINC001593972104 956630283 /nfs/dbraw/zinc/63/02/83/956630283.db2.gz DMRFTVVNUSSDRJ-ZDUSSCGKSA-N -1 0 314.294 -0.310 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CCCCC(N)=O)CCO1 ZINC001593973454 956643516 /nfs/dbraw/zinc/64/35/16/956643516.db2.gz NCZUQRVICMZJRG-ZDUSSCGKSA-N -1 0 302.327 -0.639 20 0 DBADRM C[C@]1(C(N)=O)CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001589202832 956644214 /nfs/dbraw/zinc/64/42/14/956644214.db2.gz FFQMBIUNNYFSTL-OTYXRUKQSA-N -1 0 311.338 -0.967 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(c2nnnn2[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC001589203025 956645692 /nfs/dbraw/zinc/64/56/92/956645692.db2.gz IKKGAOPADHKSFN-HZMBPMFUSA-N -1 0 320.353 -0.090 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H](O)C2CCOCC2)CCO1 ZINC001593975011 956656962 /nfs/dbraw/zinc/65/69/62/956656962.db2.gz OHMVERIQVLDUGM-FZMZJTMJSA-N -1 0 317.338 -0.898 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C2=C[S@](=O)CCC2)CCO1 ZINC001593976316 956667169 /nfs/dbraw/zinc/66/71/69/956667169.db2.gz XIHGHQJYSBMGAB-LRTDBIEQSA-N -1 0 317.363 -0.259 20 0 DBADRM O=C([O-])C1(CNC(=O)C[C@@H]2C=CS(=O)(=O)C2)CCOCC1 ZINC001594678376 956678379 /nfs/dbraw/zinc/67/83/79/956678379.db2.gz NZOCITJRIGJBNN-JTQLQIEISA-N -1 0 317.363 -0.068 20 0 DBADRM O=C([O-])C1(CNC(=O)C[C@H]2C=CS(=O)(=O)C2)CCOCC1 ZINC001594678377 956678410 /nfs/dbraw/zinc/67/84/10/956678410.db2.gz NZOCITJRIGJBNN-SNVBAGLBSA-N -1 0 317.363 -0.068 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C[C@@H]1C=CS(=O)(=O)C1)C2 ZINC001594678460 956679988 /nfs/dbraw/zinc/67/99/88/956679988.db2.gz RGDAXNMUOPRCQR-OPQQBVKSSA-N -1 0 315.347 -0.506 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC001589211412 956691551 /nfs/dbraw/zinc/69/15/51/956691551.db2.gz KWQAMKZRJUQGDH-UFBFGSQYSA-N -1 0 304.368 -0.376 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2ccc(C(N)=O)cn2)CCO1 ZINC001593979826 956705692 /nfs/dbraw/zinc/70/56/92/956705692.db2.gz JAUJBGQSIJBPSA-AWEZNQCLSA-N -1 0 323.305 -0.877 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2ccc(C=O)cn2)CCO1 ZINC001593980373 956710173 /nfs/dbraw/zinc/71/01/73/956710173.db2.gz QHTCIWBCNMBJCM-AWEZNQCLSA-N -1 0 308.290 -0.164 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001589217045 956729754 /nfs/dbraw/zinc/72/97/54/956729754.db2.gz DAMSBMHDXQFQAM-NEPJUHHUSA-N -1 0 305.352 -0.847 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cn(C3CC3)nn2)CCO1 ZINC001593983798 956738568 /nfs/dbraw/zinc/73/85/68/956738568.db2.gz QWRXHYCUFXSCJY-ZDUSSCGKSA-N -1 0 310.310 -0.445 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCCCn1cc(C(N)=O)nn1 ZINC001589218772 956748837 /nfs/dbraw/zinc/74/88/37/956748837.db2.gz YKAURJGSAZQBSQ-AWEZNQCLSA-N -1 0 323.353 -0.226 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)CCn1cnnn1)O2 ZINC001594691158 956750358 /nfs/dbraw/zinc/75/03/58/956750358.db2.gz FAVKMCGHRZUJMW-RUETXSTFSA-N -1 0 309.326 -0.408 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)CN1CCCCS1(=O)=O ZINC001594692277 956754566 /nfs/dbraw/zinc/75/45/66/956754566.db2.gz CPAUZOFEOOEMNV-UHFFFAOYSA-N -1 0 302.312 -0.528 20 0 DBADRM O=C(CN1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)NCC1CC1 ZINC001594692377 956756728 /nfs/dbraw/zinc/75/67/28/956756728.db2.gz MSELQYLOFIYQPL-GFCCVEGCSA-N -1 0 323.393 -0.090 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2ccc3nc(C)nn3n2)CCO1 ZINC001593984966 956758644 /nfs/dbraw/zinc/75/86/44/956758644.db2.gz NXBNUSNXDMAOAX-CYBMUJFWSA-N -1 0 307.310 -0.261 20 0 DBADRM COC[C@]1(C(=O)OC)CCCN1C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001593984976 956758916 /nfs/dbraw/zinc/75/89/16/956758916.db2.gz NYBIATKQSDJPPC-ZDUSSCGKSA-N -1 0 311.294 -0.098 20 0 DBADRM O=C([O-])C1(C(=O)NCC(=O)N2CCCO2)CCSCC1 ZINC001594695394 956767146 /nfs/dbraw/zinc/76/71/46/956767146.db2.gz FFBUUOHCBPQVNQ-UHFFFAOYSA-N -1 0 302.352 -0.136 20 0 DBADRM O=C([O-])C1(C(=O)NCC(=O)C2CC2)CCS(=O)(=O)CC1 ZINC001594695447 956767342 /nfs/dbraw/zinc/76/73/42/956767342.db2.gz GHMPEKBKIRPRGX-UHFFFAOYSA-N -1 0 303.336 -0.639 20 0 DBADRM COC[C@]1(C(=O)OC)CCCN1C(=O)[C@](C)(OC)C(=O)[O-] ZINC001593985970 956779291 /nfs/dbraw/zinc/77/92/91/956779291.db2.gz XREDHGMJIZJQEL-STQMWFEESA-N -1 0 303.311 -0.343 20 0 DBADRM CC1(C)CC[C@H](Cn2nnnc2N2CCO[C@H](C(=O)[O-])C2)O1 ZINC001589223972 956780786 /nfs/dbraw/zinc/78/07/86/956780786.db2.gz DXHKGRWDBRPUFP-ZJUUUORDSA-N -1 0 311.342 -0.080 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CCOC2CCOCC2)CCO1 ZINC001593986231 956785904 /nfs/dbraw/zinc/78/59/04/956785904.db2.gz QPCGMVCUFJYIKQ-AWEZNQCLSA-N -1 0 303.355 -0.016 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CCN2CCO[C@@H](C)C2)CCO1 ZINC001593986356 956789905 /nfs/dbraw/zinc/78/99/05/956789905.db2.gz ULXWEYRJKDBVGE-JSGCOSHPSA-N -1 0 302.371 -0.491 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CC(=O)Nc2nccs2)CCO1 ZINC001593986506 956794361 /nfs/dbraw/zinc/79/43/61/956794361.db2.gz YDMNCQFZTSPTKD-LBPRGKRZSA-N -1 0 315.351 -0.116 20 0 DBADRM COC[C@]1(C)CN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CCO1 ZINC001593986637 956795614 /nfs/dbraw/zinc/79/56/14/956795614.db2.gz CYAOPDOQSAPWOV-ZANVPECISA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@@]1(C)CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCO1 ZINC001593986675 956797165 /nfs/dbraw/zinc/79/71/65/956797165.db2.gz FQJPCRJNGWVNAD-GPCCPHFNSA-N -1 0 314.338 -0.770 20 0 DBADRM COCC1(C)CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001593986937 956800204 /nfs/dbraw/zinc/80/02/04/956800204.db2.gz VNLBTGMVRBHVCA-UHFFFAOYSA-N -1 0 306.384 -0.004 20 0 DBADRM O=C([O-])c1cccnc1C(=O)OCC(=O)NC(=O)NC1CC1 ZINC001594698968 956800483 /nfs/dbraw/zinc/80/04/83/956800483.db2.gz PXMHENUCMHFQSU-UHFFFAOYSA-N -1 0 307.262 -0.075 20 0 DBADRM CC1(C)CN(C(=O)C(=O)NCCOCC(=O)[O-])CC(C)(C)O1 ZINC001589226735 956806705 /nfs/dbraw/zinc/80/67/05/956806705.db2.gz JVPYAMNWRLGBOI-UHFFFAOYSA-N -1 0 316.354 -0.380 20 0 DBADRM COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)[C@@H](OC)C(=O)[O-])O1 ZINC001593988707 956811224 /nfs/dbraw/zinc/81/12/24/956811224.db2.gz KNXZGSOXRHJRQL-IRCOFANPSA-N -1 0 317.338 -0.493 20 0 DBADRM COCC1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC001593989285 956815894 /nfs/dbraw/zinc/81/58/94/956815894.db2.gz FPUUYWHHCLGLKR-NSHDSACASA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@@H]1CCN1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593989558 956820664 /nfs/dbraw/zinc/82/06/64/956820664.db2.gz TTYKWMFXEWPZBK-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM COCC[C@H](NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)C(N)=O ZINC001593991339 956851949 /nfs/dbraw/zinc/85/19/49/956851949.db2.gz ZWDNZAIQCDKUPN-BBBLOLIVSA-N -1 0 302.327 -0.737 20 0 DBADRM O=C([O-])c1ccccc1CC(=O)NCCCN1C(=O)CNC1=O ZINC001594707671 956852297 /nfs/dbraw/zinc/85/22/97/956852297.db2.gz IFKURCIRFXFARR-UHFFFAOYSA-N -1 0 319.317 -0.015 20 0 DBADRM C[C@@]1(CCCC(=O)Nc2ccn(CC(=O)[O-])n2)NC(=O)NC1=O ZINC001589239552 956864624 /nfs/dbraw/zinc/86/46/24/956864624.db2.gz NVLHYRJNFNSTGP-ZDUSSCGKSA-N -1 0 323.309 -0.325 20 0 DBADRM CC1(CCNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)OCCO1 ZINC001589239591 956864697 /nfs/dbraw/zinc/86/46/97/956864697.db2.gz OMAVLOLDWUSMCO-ZDUSSCGKSA-N -1 0 314.338 -0.421 20 0 DBADRM C[C@]1(C2CCN(C(=O)COCC(=O)[O-])CC2)COC(=O)N1 ZINC001589239695 956865824 /nfs/dbraw/zinc/86/58/24/956865824.db2.gz LILLATZPMYBMFP-CYBMUJFWSA-N -1 0 300.311 -0.175 20 0 DBADRM CC1(C)OC[C@@H]2C[C@@]21NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589240064 956873800 /nfs/dbraw/zinc/87/38/00/956873800.db2.gz MYKWDOSZKLDRAC-AMJWSMQMSA-N -1 0 310.350 -0.007 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)O1 ZINC001589240193 956876154 /nfs/dbraw/zinc/87/61/54/956876154.db2.gz NPTWABQQCUBYPZ-BHDSKKPTSA-N -1 0 314.338 -0.120 20 0 DBADRM C[C@@]1(CC(=O)NC2(CC(=O)[O-])CCC2)CCS(=O)(=O)N1 ZINC001589240342 956878305 /nfs/dbraw/zinc/87/83/05/956878305.db2.gz RBRIBOLARDAKOZ-NSHDSACASA-N -1 0 304.368 -0.028 20 0 DBADRM C[C@@]1([C@@H]2CCCN(C(=O)COCC(=O)[O-])C2)COC(=O)N1 ZINC001589240534 956881638 /nfs/dbraw/zinc/88/16/38/956881638.db2.gz USWPZHDFNPJJHB-RNCFNFMXSA-N -1 0 300.311 -0.175 20 0 DBADRM COCCCS(=O)(=O)NCc1nc([C@@H](C)C(=O)[O-])no1 ZINC001593995428 956884236 /nfs/dbraw/zinc/88/42/36/956884236.db2.gz XHRXVMPCTZCXHK-SSDOTTSWSA-N -1 0 307.328 -0.286 20 0 DBADRM COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H](C)C(=O)[O-])CC1=O ZINC001593995709 956892917 /nfs/dbraw/zinc/89/29/17/956892917.db2.gz PRWZSVHXAHGFIS-QWRGUYRKSA-N -1 0 315.370 -0.998 20 0 DBADRM C[C@]1(CNC(=O)NCCOCCOCC(=O)[O-])CCC(=O)N1 ZINC001589244980 956903117 /nfs/dbraw/zinc/90/31/17/956903117.db2.gz QOEOYCXZNALSIY-CYBMUJFWSA-N -1 0 317.342 -0.928 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)C1(N3CCOCC3)CC1)C2 ZINC001594714240 956905451 /nfs/dbraw/zinc/90/54/51/956905451.db2.gz CTNZQNFYXYVSTQ-FZMZJTMJSA-N -1 0 310.350 -0.589 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)C1(C(=O)[O-])CCOCC1 ZINC001593997348 956907678 /nfs/dbraw/zinc/90/76/78/956907678.db2.gz QTMUAUBMVZYWFT-UHFFFAOYSA-N -1 0 316.354 -0.569 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCCC2)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594714374 956908901 /nfs/dbraw/zinc/90/89/01/956908901.db2.gz GPYGYBAUSHEAQF-AOOOYVTPSA-N -1 0 308.338 -0.249 20 0 DBADRM O=C([O-])[C@H]1CCCN1Cc1cn(CC(=O)NCC2CC2)nn1 ZINC001594714513 956910827 /nfs/dbraw/zinc/91/08/27/956910827.db2.gz KJWIKIAAVJDLPS-GFCCVEGCSA-N -1 0 307.354 -0.147 20 0 DBADRM C[C@]1(CO)CCCN1C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589245788 956915468 /nfs/dbraw/zinc/91/54/68/956915468.db2.gz RBDHMFAYQSPHLD-CYBMUJFWSA-N -1 0 310.310 -0.720 20 0 DBADRM O=C([O-])[C@@H](C(=O)Nc1cnn(CC(=O)NCCO)c1)C1CC1 ZINC001594715006 956917709 /nfs/dbraw/zinc/91/77/09/956917709.db2.gz USAHUYUNJBFMOY-LLVKDONJSA-N -1 0 310.310 -0.959 20 0 DBADRM C[C@]1(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001589246590 956930856 /nfs/dbraw/zinc/93/08/56/956930856.db2.gz RAQZTUHNTYUWQZ-BREBYQMCSA-N -1 0 319.379 -0.050 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@]1(C)CCCS1(=O)=O ZINC001594001820 956936601 /nfs/dbraw/zinc/93/66/01/956936601.db2.gz WRXQLRYNAKWQLD-LBPRGKRZSA-N -1 0 307.368 -0.097 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H]1COCCN1CC(F)F ZINC001594002477 956940230 /nfs/dbraw/zinc/94/02/30/956940230.db2.gz MYMCNNXWJNYMOE-JTQLQIEISA-N -1 0 324.324 -0.098 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC001594004337 956945926 /nfs/dbraw/zinc/94/59/26/956945926.db2.gz CWZJQENXFMFNGB-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CC1(S(=O)(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001589252567 956962845 /nfs/dbraw/zinc/96/28/45/956962845.db2.gz KBUATDZSELFVDI-SECBINFHSA-N -1 0 304.368 -0.076 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1ccc2nnnn2c1 ZINC001594719722 956964450 /nfs/dbraw/zinc/96/44/50/956964450.db2.gz WOGHMQNZNVYNKT-LLVKDONJSA-N -1 0 312.289 -0.055 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCC1N=NC(=O)N1C ZINC001594005513 956968604 /nfs/dbraw/zinc/96/86/04/956968604.db2.gz SVVFVJNNHCDYLT-UHFFFAOYSA-N -1 0 301.303 -0.847 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001594008072 956983257 /nfs/dbraw/zinc/98/32/57/956983257.db2.gz KLBZVJJKJMVKRG-UHFFFAOYSA-N -1 0 322.321 -0.106 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2cccc(-n3cncn3)n2)CCOC1 ZINC001594723990 956983366 /nfs/dbraw/zinc/98/33/66/956983366.db2.gz PFIWNAYFSNHVKD-ZDUSSCGKSA-N -1 0 303.278 -0.364 20 0 DBADRM C[C@]12CN(C(=O)C3(C(=O)[O-])CC=CC3)C[C@]1(C)C(=O)NC2=O ZINC001589255278 956985170 /nfs/dbraw/zinc/98/51/70/956985170.db2.gz UEFVIOTWGXPKRL-ZIAGYGMSSA-N -1 0 306.318 -0.081 20 0 DBADRM CC1=C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[C@@H](C)n2nnnc2N1C ZINC001589256226 956991401 /nfs/dbraw/zinc/99/14/01/956991401.db2.gz LLMVGAWERVJVCL-HLTSFMKQSA-N -1 0 306.326 -0.063 20 0 DBADRM CC1=C(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])SCCO1 ZINC001589256800 957002619 /nfs/dbraw/zinc/00/26/19/957002619.db2.gz WQUMFEPBAQLBFV-QMMMGPOBSA-N -1 0 321.376 -0.309 20 0 DBADRM COCCO[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC001594018330 957053746 /nfs/dbraw/zinc/05/37/46/957053746.db2.gz RKDXYYPFGVYRMB-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)F)C2)C1 ZINC001594734616 957057825 /nfs/dbraw/zinc/05/78/25/957057825.db2.gz FPKHZVSNDGBRHS-DTWKUNHWSA-N -1 0 319.308 -0.625 20 0 DBADRM COCCO[C@H]1C[C@@H](CO)CN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC001594018735 957061068 /nfs/dbraw/zinc/06/10/68/957061068.db2.gz MLNZDSABSGTETN-MNOVXSKESA-N -1 0 301.339 -0.276 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001589263578 957069183 /nfs/dbraw/zinc/06/91/83/957069183.db2.gz RTNRLCVNSJHZLK-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ccnn2C)C1 ZINC001589265343 957076770 /nfs/dbraw/zinc/07/67/70/957076770.db2.gz FNVYNAPYTUYFOL-ZJUUUORDSA-N -1 0 308.338 -0.395 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC001594736743 957077322 /nfs/dbraw/zinc/07/73/22/957077322.db2.gz KAVDUWKNDIVZTL-WDEREUQCSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])C1CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC001594736846 957077904 /nfs/dbraw/zinc/07/79/04/957077904.db2.gz ATXZNMCYUSWKRG-UHFFFAOYSA-N -1 0 306.274 -0.312 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001594021516 957083178 /nfs/dbraw/zinc/08/31/78/957083178.db2.gz DCJFTRNTMOFQBM-VHSXEESVSA-N -1 0 307.368 -0.241 20 0 DBADRM CC(=O)Nc1nc(C(=O)NCC(=O)NCC(=O)[O-])cs1 ZINC000035383599 957206187 /nfs/dbraw/zinc/20/61/87/957206187.db2.gz LZZKWZCFQDYSPW-UHFFFAOYSA-N -1 0 300.296 -0.968 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCN(CC(=O)[O-])CC2)no1 ZINC000035680375 957218164 /nfs/dbraw/zinc/21/81/64/957218164.db2.gz VOCQSLWYDRPQBG-UHFFFAOYSA-N -1 0 303.340 -0.485 20 0 DBADRM O=C([O-])CCN1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000035687060 957221482 /nfs/dbraw/zinc/22/14/82/957221482.db2.gz PDWSOBUWCPMEHX-UHFFFAOYSA-N -1 0 305.400 -0.191 20 0 DBADRM Cn1cc(CNS(=O)(=O)c2scnc2C(=O)[O-])nn1 ZINC000389836896 972251143 /nfs/dbraw/zinc/25/11/43/972251143.db2.gz QEDMQQAFVUALGJ-UHFFFAOYSA-N -1 0 303.325 -0.552 20 0 DBADRM Cc1oc(C)c(S(=O)(=O)NCC(=O)N(C)C)c1C(=O)[O-] ZINC000037225474 957266656 /nfs/dbraw/zinc/26/66/56/957266656.db2.gz MVUIVNMHTMMIEZ-UHFFFAOYSA-N -1 0 304.324 -0.039 20 0 DBADRM COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000037465384 957302419 /nfs/dbraw/zinc/30/24/19/957302419.db2.gz WGMJQDQMOVDXKY-SSDOTTSWSA-N -1 0 321.307 -0.593 20 0 DBADRM COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000037465382 957302857 /nfs/dbraw/zinc/30/28/57/957302857.db2.gz WGMJQDQMOVDXKY-ZETCQYMHSA-N -1 0 321.307 -0.593 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000037598854 957314114 /nfs/dbraw/zinc/31/41/14/957314114.db2.gz ZZVLFAVXLOVXFC-NXEZZACHSA-N -1 0 306.384 -0.525 20 0 DBADRM CCNC(=O)CN(CC)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037830152 957331433 /nfs/dbraw/zinc/33/14/33/957331433.db2.gz KCEMWVWKVHYQSR-UHFFFAOYSA-N -1 0 321.399 -0.514 20 0 DBADRM CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037837027 957332965 /nfs/dbraw/zinc/33/29/65/957332965.db2.gz POKAHKWVGBEPKW-QMMMGPOBSA-N -1 0 316.339 -0.603 20 0 DBADRM CCCCN(CC(N)=O)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037837255 957333373 /nfs/dbraw/zinc/33/33/73/957333373.db2.gz GDHMUKWSEMVECY-UHFFFAOYSA-N -1 0 304.328 -0.616 20 0 DBADRM Cc1oc(C)c(S(=O)(=O)N(CCO)CCO)c1C(=O)[O-] ZINC000037838783 957334079 /nfs/dbraw/zinc/33/40/79/957334079.db2.gz ASRZMSMYTOHQTR-UHFFFAOYSA-N -1 0 307.324 -0.430 20 0 DBADRM COC(=O)[C@H](C)CN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037838616 957334262 /nfs/dbraw/zinc/33/42/62/957334262.db2.gz PJAXBTNUYFPTHK-SECBINFHSA-N -1 0 322.383 -0.231 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCc2cnccn2)cn1 ZINC000390043654 972262327 /nfs/dbraw/zinc/26/23/27/972262327.db2.gz KPEBQHTYHSEIPY-UHFFFAOYSA-N -1 0 311.323 -0.721 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)cn1 ZINC000052007715 957509278 /nfs/dbraw/zinc/50/92/78/957509278.db2.gz ZWBNQWMGRVEGNR-UWVGGRQHSA-N -1 0 303.340 -0.451 20 0 DBADRM COCC[C@@H](NC(=O)[C@H]1CC(=O)N(CCOC)C1)C(=O)[O-] ZINC000052784689 957511998 /nfs/dbraw/zinc/51/19/98/957511998.db2.gz NOJKLWFXIAEINS-VHSXEESVSA-N -1 0 302.327 -0.913 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCOCCO ZINC000052925581 957515406 /nfs/dbraw/zinc/51/54/06/957515406.db2.gz LFTBFRWJRYCWGT-UHFFFAOYSA-N -1 0 303.336 -0.020 20 0 DBADRM COCCN(C)CCNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000061379339 957580428 /nfs/dbraw/zinc/58/04/28/957580428.db2.gz UWHRQVSROPFRGA-UHFFFAOYSA-N -1 0 306.340 -0.166 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000062936506 957629215 /nfs/dbraw/zinc/62/92/15/957629215.db2.gz VXLDVLWWJGVVOK-SKDRFNHKSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C[C@H](O)COc1ccccc1 ZINC000066151554 957644694 /nfs/dbraw/zinc/64/46/94/957644694.db2.gz CXQOEBGLFPIPPM-AAEUAGOBSA-N -1 0 308.334 -0.299 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCCC[C@H]2C(N)=O)c1C(=O)[O-] ZINC000070446511 957672943 /nfs/dbraw/zinc/67/29/43/957672943.db2.gz SBFFHAPGAZKOKD-ZETCQYMHSA-N -1 0 316.339 -0.555 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCNC(=O)C2(C)C)c1C(=O)[O-] ZINC000070446663 957674034 /nfs/dbraw/zinc/67/40/34/957674034.db2.gz UCDLXFPLTGBIKE-UHFFFAOYSA-N -1 0 316.339 -0.685 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000070523376 957679899 /nfs/dbraw/zinc/67/98/99/957679899.db2.gz PEBSWMLLZHSPPD-IUCAKERBSA-N -1 0 315.351 -0.344 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001594271949 957682448 /nfs/dbraw/zinc/68/24/48/957682448.db2.gz PYEWIELZBZXEMV-SECBINFHSA-N -1 0 309.322 -0.189 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001594271972 957682746 /nfs/dbraw/zinc/68/27/46/957682746.db2.gz RPXCGYCLSQJLMV-SNVBAGLBSA-N -1 0 321.333 -0.045 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)c1=O ZINC001574746193 957706052 /nfs/dbraw/zinc/70/60/52/957706052.db2.gz WSUVKOSBKNRBTP-FOGDFJRCSA-N -1 0 322.317 -0.533 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])n1 ZINC001594025170 957707623 /nfs/dbraw/zinc/70/76/23/957707623.db2.gz JXDRSAGYVXVCBR-SECBINFHSA-N -1 0 312.326 -0.353 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccccc1 ZINC000390451872 972286292 /nfs/dbraw/zinc/28/62/92/972286292.db2.gz DNKQRXYGBKSNQV-ZJUUUORDSA-N -1 0 305.290 -0.431 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc(=O)[nH]1 ZINC001594276015 957716330 /nfs/dbraw/zinc/71/63/30/957716330.db2.gz NSHDPLCHLFSSLN-SECBINFHSA-N -1 0 314.319 -0.581 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001594027854 957724646 /nfs/dbraw/zinc/72/46/46/957724646.db2.gz DCKNKRHIFXSXMY-GHMZBOCLSA-N -1 0 322.383 -0.891 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@H](O)C1CCOCC1 ZINC001574754484 957730141 /nfs/dbraw/zinc/73/01/41/957730141.db2.gz QPJCSQWZZUUVKI-QWRGUYRKSA-N -1 0 322.383 -0.843 20 0 DBADRM COCc1ccccc1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001594029663 957751190 /nfs/dbraw/zinc/75/11/90/957751190.db2.gz FJORBZPGKPUNHD-GFCCVEGCSA-N -1 0 303.336 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC001574770984 957759166 /nfs/dbraw/zinc/75/91/66/957759166.db2.gz LLHGRHXRHPGYFI-UTUOFQBUSA-N -1 0 310.350 -0.007 20 0 DBADRM CON(C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)[C@@H](C)C(=O)[O-] ZINC001594032833 957775961 /nfs/dbraw/zinc/77/59/61/957775961.db2.gz HTKGEZXAJUKYMC-IUCAKERBSA-N -1 0 310.310 -0.364 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)[C@]1(C(=O)[O-])CCCO1)CC2 ZINC001594032986 957778539 /nfs/dbraw/zinc/77/85/39/957778539.db2.gz KWJVKKCVCVLQNG-XPTSAGLGSA-N -1 0 324.337 -0.511 20 0 DBADRM CON(C(=O)CN1CCCC2(CC2)S1(=O)=O)[C@@H](C)C(=O)[O-] ZINC001594034890 957803026 /nfs/dbraw/zinc/80/30/26/957803026.db2.gz IMCPMJFFBDFKQS-VIFPVBQESA-N -1 0 320.367 -0.192 20 0 DBADRM CON(C(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C)[C@@H](C)C(=O)[O-] ZINC001594037238 957823251 /nfs/dbraw/zinc/82/32/51/957823251.db2.gz NXQICGRFXTVQDN-WCBMZHEXSA-N -1 0 322.383 -0.044 20 0 DBADRM NC(=O)CN1CCN(C(=O)Nc2cccc(C(=O)[O-])c2)CC1=O ZINC001574798311 957827976 /nfs/dbraw/zinc/82/79/76/957827976.db2.gz JPPZLPWDFAYXRI-UHFFFAOYSA-N -1 0 320.305 -0.454 20 0 DBADRM CON(C)C(=O)[C@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001594042532 957888936 /nfs/dbraw/zinc/88/89/36/957888936.db2.gz WKPZRFBEFFQJRG-QMMMGPOBSA-N -1 0 323.371 -0.974 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594042914 957897405 /nfs/dbraw/zinc/89/74/05/957897405.db2.gz SMAQRYTYKMOKKD-OXIWPEFWSA-N -1 0 314.338 -0.467 20 0 DBADRM O=C([O-])c1cncc(NC(=O)N2CCS(=O)(=O)CCO2)c1 ZINC001574819055 957899672 /nfs/dbraw/zinc/89/96/72/957899672.db2.gz WFTUHNSCHARDKX-UHFFFAOYSA-N -1 0 315.307 -0.026 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@@H]3CC[C@@H]3C(=O)[O-])C[C@H]21 ZINC001594044347 957907398 /nfs/dbraw/zinc/90/73/98/957907398.db2.gz GTNIOXKAWFOMDV-KJPMQGKISA-N -1 0 317.363 -0.632 20 0 DBADRM Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)[nH]n1 ZINC001594300908 957908379 /nfs/dbraw/zinc/90/83/79/957908379.db2.gz ZKTZHSZSCLSDOA-PSASIEDQSA-N -1 0 308.338 -0.302 20 0 DBADRM CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001594044514 957910183 /nfs/dbraw/zinc/91/01/83/957910183.db2.gz LDTCZNQKFJNQDB-UWVGGRQHSA-N -1 0 324.337 -0.020 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594044515 957910852 /nfs/dbraw/zinc/91/08/52/957910852.db2.gz LHRYCQMRPASKEO-WTBMIXGQSA-N -1 0 300.311 -0.857 20 0 DBADRM O=C(C[C@H]1CC(=O)NC1=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001574825292 957928711 /nfs/dbraw/zinc/92/87/11/957928711.db2.gz OVSQHYZVFHKEQT-QWRGUYRKSA-N -1 0 304.302 -0.149 20 0 DBADRM Cc1cc(CN2CCN([C@@H]3CCN(CC(=O)[O-])C3=O)CC2)no1 ZINC001594303108 957929141 /nfs/dbraw/zinc/92/91/41/957929141.db2.gz LAUUAPJEUMGRHL-CYBMUJFWSA-N -1 0 322.365 -0.214 20 0 DBADRM Cc1cc(CN2CCN([C@H]3CCN(CC(=O)[O-])C3=O)CC2)no1 ZINC001594303109 957930990 /nfs/dbraw/zinc/93/09/90/957930990.db2.gz LAUUAPJEUMGRHL-ZDUSSCGKSA-N -1 0 322.365 -0.214 20 0 DBADRM COc1c[nH]c(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cc1=O ZINC001594047305 957942106 /nfs/dbraw/zinc/94/21/06/957942106.db2.gz FBPFXFPNZNOQOS-LLVKDONJSA-N -1 0 306.278 -0.327 20 0 DBADRM COc1c[nH]c(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)cc1=O ZINC001594047306 957942754 /nfs/dbraw/zinc/94/27/54/957942754.db2.gz FBPFXFPNZNOQOS-NSHDSACASA-N -1 0 306.278 -0.327 20 0 DBADRM Cc1cc(CNC(=O)NCCOCCOCC(=O)[O-])no1 ZINC001594304231 957948388 /nfs/dbraw/zinc/94/83/88/957948388.db2.gz LNHRBDYZUTUPEY-UHFFFAOYSA-N -1 0 301.299 -0.100 20 0 DBADRM Cc1cc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)ncn1 ZINC001594304260 957949626 /nfs/dbraw/zinc/94/96/26/957949626.db2.gz ULMVYAGSQDCKJW-UHFFFAOYSA-N -1 0 314.367 -0.084 20 0 DBADRM Cc1cc(CS(=O)(=O)CCS(=O)(=O)CC(=O)[O-])no1 ZINC001594306628 957974566 /nfs/dbraw/zinc/97/45/66/957974566.db2.gz OGPZHYQSHDQGQX-UHFFFAOYSA-N -1 0 311.337 -0.603 20 0 DBADRM Cc1cc(COCC(=O)N2CCN(C(=O)C(=O)[O-])CC2)no1 ZINC001594306833 957976969 /nfs/dbraw/zinc/97/69/69/957976969.db2.gz WAQHHOJGSJKJEG-UHFFFAOYSA-N -1 0 311.294 -0.745 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)C(=O)[O-] ZINC000391068510 972315339 /nfs/dbraw/zinc/31/53/39/972315339.db2.gz UIKXUJMJXHLYSL-ONGXEEELSA-N -1 0 322.317 -0.063 20 0 DBADRM CN1C(=O)C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O ZINC000088774803 958069626 /nfs/dbraw/zinc/06/96/26/958069626.db2.gz DKCVBLOOHQSKHD-RXMQYKEDSA-N -1 0 302.264 -0.987 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCc2nccs2)nn1 ZINC000089697837 958084120 /nfs/dbraw/zinc/08/41/20/958084120.db2.gz XOUYDPAXTIFFOE-UHFFFAOYSA-N -1 0 310.339 -0.025 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CNC(=O)C1)C(=O)[O-] ZINC001348945116 958087038 /nfs/dbraw/zinc/08/70/38/958087038.db2.gz VREUAHXMSJCWGA-NXEZZACHSA-N -1 0 313.354 -0.898 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)CCCN2C(=O)CNC2=O)cn1 ZINC001349386876 958091888 /nfs/dbraw/zinc/09/18/88/958091888.db2.gz YLKZFCHGGTWDAK-UHFFFAOYSA-N -1 0 309.282 -0.762 20 0 DBADRM COc1cc(N)c(C(=O)N[C@H](C)C(=O)[O-])cc1S(C)(=O)=O ZINC001594061678 958096438 /nfs/dbraw/zinc/09/64/38/958096438.db2.gz DCYQGKZLRTYPEW-ZCFIWIBFSA-N -1 0 316.335 -0.116 20 0 DBADRM CS(=O)(=O)Nc1ccc(C(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000090260762 958096685 /nfs/dbraw/zinc/09/66/85/958096685.db2.gz FIFHTJWSJGIUJR-VIFPVBQESA-N -1 0 302.308 -0.767 20 0 DBADRM COc1cc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)[nH]n1 ZINC001594062168 958098900 /nfs/dbraw/zinc/09/89/00/958098900.db2.gz QLPNRAYDMXCWPD-JGVFFNPUSA-N -1 0 310.310 -0.074 20 0 DBADRM COc1cc(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)ncn1 ZINC001594062334 958100031 /nfs/dbraw/zinc/10/00/31/958100031.db2.gz UEQXTEGYXLYDLO-BDAKNGLRSA-N -1 0 322.321 -0.007 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@H](OC)C1 ZINC001356090229 958174195 /nfs/dbraw/zinc/17/41/95/958174195.db2.gz IMINDIJTJCWYPH-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001594327454 958186202 /nfs/dbraw/zinc/18/62/02/958186202.db2.gz ZZMLZDBYRUDNQV-ZDUSSCGKSA-N -1 0 320.305 -0.462 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@H]1COc2ccccc2O1 ZINC000391294507 972327693 /nfs/dbraw/zinc/32/76/93/972327693.db2.gz WUVQRZPFTGNOPX-JOYOIKCWSA-N -1 0 320.301 -0.372 20 0 DBADRM NS(=O)(=O)CCCNC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000093681415 958255152 /nfs/dbraw/zinc/25/51/52/958255152.db2.gz NCMRIDASYNTHGA-UHFFFAOYSA-N -1 0 307.372 -0.439 20 0 DBADRM Cn1nnc2cc(C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)cnc21 ZINC001549226289 958257175 /nfs/dbraw/zinc/25/71/75/958257175.db2.gz YLFAVTXNTRECNN-XPTSAGLGSA-N -1 0 317.305 -0.464 20 0 DBADRM Cn1ccnc(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1=O ZINC001552378942 958304758 /nfs/dbraw/zinc/30/47/58/958304758.db2.gz SHPDQOHRRNSSQR-SDBXPKJASA-N -1 0 308.294 -0.655 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1C(N)=O ZINC000097063584 958344485 /nfs/dbraw/zinc/34/44/85/958344485.db2.gz YADHHDUQRMYBDI-SFYZADRCSA-N -1 0 315.351 -0.344 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000104346040 958365732 /nfs/dbraw/zinc/36/57/32/958365732.db2.gz GRJNHXBUUJBQFP-LURJTMIESA-N -1 0 309.321 -0.742 20 0 DBADRM C=CC(=O)N(CC)CC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC001588448374 958386854 /nfs/dbraw/zinc/38/68/54/958386854.db2.gz YMKIAXYBDRTADJ-JTQLQIEISA-N -1 0 313.354 -0.541 20 0 DBADRM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000110687148 958394843 /nfs/dbraw/zinc/39/48/43/958394843.db2.gz MGHBMKTVOOHBPF-SSDOTTSWSA-N -1 0 302.312 -0.993 20 0 DBADRM COc1ccc(COCC(=O)N[C@@]2(C(=O)[O-])CCOC2)cn1 ZINC001594096080 958402991 /nfs/dbraw/zinc/40/29/91/958402991.db2.gz PMDNNXZOPIREPD-AWEZNQCLSA-N -1 0 310.306 -0.033 20 0 DBADRM Cc1ccc(CCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC001594357554 958422744 /nfs/dbraw/zinc/42/27/44/958422744.db2.gz QZSFKOSLEPUEAN-LBPRGKRZSA-N -1 0 305.334 -0.018 20 0 DBADRM COc1ccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c(C)n1 ZINC001594101806 958444834 /nfs/dbraw/zinc/44/48/34/958444834.db2.gz SUEBYTJJBBQYPN-ZDUSSCGKSA-N -1 0 311.294 -0.711 20 0 DBADRM CCN1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1=O ZINC000391596761 972349038 /nfs/dbraw/zinc/34/90/38/972349038.db2.gz IFQLJKLOSKDCRA-QMMMGPOBSA-N -1 0 315.351 -0.378 20 0 DBADRM CN1C(=O)C[C@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)C1=O ZINC000116072869 958458435 /nfs/dbraw/zinc/45/84/35/958458435.db2.gz BAMTULCUZIMREW-VIFPVBQESA-N -1 0 312.303 -0.580 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)OCc1ccccc1 ZINC000117986292 958463390 /nfs/dbraw/zinc/46/33/90/958463390.db2.gz RLRTZRJHINLFIK-NEPJUHHUSA-N -1 0 322.317 -0.041 20 0 DBADRM Cn1nccc1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC000124119706 958518891 /nfs/dbraw/zinc/51/88/91/958518891.db2.gz SQBCJLUGFQHHLW-UHFFFAOYSA-N -1 0 302.356 -0.799 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1cnns1 ZINC000124625516 958540102 /nfs/dbraw/zinc/54/01/02/958540102.db2.gz LHCHDHUQJAQAQG-LURJTMIESA-N -1 0 305.337 -0.748 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)Cc1cc[nH]n1 ZINC000125897433 958571266 /nfs/dbraw/zinc/57/12/66/958571266.db2.gz HAGBGZOBTHSWAM-VIFPVBQESA-N -1 0 301.324 -0.948 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-])n1cccn1 ZINC000125945858 958572538 /nfs/dbraw/zinc/57/25/38/958572538.db2.gz BAXMQHCHTUYNKT-ZJUUUORDSA-N -1 0 315.351 -0.456 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])n(C)n1 ZINC000125930684 958573301 /nfs/dbraw/zinc/57/33/01/958573301.db2.gz LTICFVSNHVMMSN-VIFPVBQESA-N -1 0 315.351 -0.558 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCCn2ccnn2)o1 ZINC000126251724 958584177 /nfs/dbraw/zinc/58/41/77/958584177.db2.gz NRDGELTXYGCMRE-UHFFFAOYSA-N -1 0 300.296 -0.062 20 0 DBADRM CN(C(=O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-])C1CC1 ZINC000126319490 958585539 /nfs/dbraw/zinc/58/55/39/958585539.db2.gz HBKXXIBDEQYAKC-JTQLQIEISA-N -1 0 304.368 -0.819 20 0 DBADRM CC1(C)[C@H](O)C[C@@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000128026904 958627246 /nfs/dbraw/zinc/62/72/46/958627246.db2.gz ZXUWJNKBTNEHRK-DTWKUNHWSA-N -1 0 303.340 -0.595 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])no1 ZINC000129476998 958707676 /nfs/dbraw/zinc/70/76/76/958707676.db2.gz DKNUVKVGIXCJJX-JTQLQIEISA-N -1 0 304.324 -0.012 20 0 DBADRM CC[S@](=O)CCNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000133786087 958820233 /nfs/dbraw/zinc/82/02/33/958820233.db2.gz MCQMWEJSNCXDLX-HXUWFJFHSA-N -1 0 303.344 -0.956 20 0 DBADRM CC(=O)N[C@H]1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000133942909 958827457 /nfs/dbraw/zinc/82/74/57/958827457.db2.gz MZEPCSROVMHKOA-ZETCQYMHSA-N -1 0 302.312 -0.993 20 0 DBADRM CC(=O)N[C@@H]1CCN(S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000133945028 958827855 /nfs/dbraw/zinc/82/78/55/958827855.db2.gz ZEWAVUYWOVMDBU-SSDOTTSWSA-N -1 0 319.364 -0.260 20 0 DBADRM CCN(CC(=O)N(C)C)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134678623 958847356 /nfs/dbraw/zinc/84/73/56/958847356.db2.gz BKNTZEHOXXZGMI-UHFFFAOYSA-N -1 0 321.380 -0.060 20 0 DBADRM COC[C@H](NC(=O)[C@H](COC)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000147169598 958995998 /nfs/dbraw/zinc/99/59/98/958995998.db2.gz MWJGNLLZRTVELR-IUCAKERBSA-N -1 0 320.342 -0.258 20 0 DBADRM COC[C@@H](NC(=O)CSc1nnnn1C1CC1)C(=O)[O-] ZINC000158296731 959086949 /nfs/dbraw/zinc/08/69/49/959086949.db2.gz YRJUCNYCHSJRTD-SSDOTTSWSA-N -1 0 301.328 -0.684 20 0 DBADRM COC[C@@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000158343121 959088503 /nfs/dbraw/zinc/08/85/03/959088503.db2.gz DNADGLNOQUUCSA-SNVBAGLBSA-N -1 0 301.343 -0.404 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000162989741 959223514 /nfs/dbraw/zinc/22/35/14/959223514.db2.gz BKEWYVMIBPTPQQ-VIFPVBQESA-N -1 0 310.372 -0.891 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCC[C@](C)(O)C2)c1C(=O)[O-] ZINC000163097105 959225271 /nfs/dbraw/zinc/22/52/71/959225271.db2.gz CMQFUKJBQFZOLG-NSHDSACASA-N -1 0 303.340 -0.048 20 0 DBADRM CS(=O)(=O)NCCNC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000165736608 959292714 /nfs/dbraw/zinc/29/27/14/959292714.db2.gz JITWDYJPXZYDIJ-UHFFFAOYSA-N -1 0 321.399 -0.130 20 0 DBADRM CN1CCN(CC(=O)N[C@H](C(=O)[O-])c2cccs2)CC1=O ZINC001598614762 1017341038 /nfs/dbraw/zinc/34/10/38/1017341038.db2.gz CWRUDFYQLPZGLM-LBPRGKRZSA-N -1 0 311.363 -0.236 20 0 DBADRM C[C@H](C[S@@](C)=O)NS(=O)(=O)c1scnc1C(=O)[O-] ZINC000168779508 959393164 /nfs/dbraw/zinc/39/31/64/959393164.db2.gz KIHRDHFSAFXJIP-NEXAQPNMSA-N -1 0 312.394 -0.113 20 0 DBADRM COc1ccc(N2C[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])CC2=O)cc1 ZINC000170572021 959413679 /nfs/dbraw/zinc/41/36/79/959413679.db2.gz SJSOEXWJWQZWKG-CABZTGNLSA-N -1 0 322.317 -0.390 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)CN2CCC(=O)NC2=O)n1 ZINC000208475824 959668955 /nfs/dbraw/zinc/66/89/55/959668955.db2.gz IJVLADQTTFABFL-UHFFFAOYSA-N -1 0 312.307 -0.349 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)C(=O)[O-] ZINC000214190528 959729390 /nfs/dbraw/zinc/72/93/90/959729390.db2.gz CRYZMGVEKOARHW-VHSXEESVSA-N -1 0 300.311 -0.623 20 0 DBADRM CCOC(=O)CCCNC(=O)CN1CCSC[C@H]1C(=O)[O-] ZINC000215303500 959749678 /nfs/dbraw/zinc/74/96/78/959749678.db2.gz XIKRSCDDXPVYBW-JTQLQIEISA-N -1 0 318.395 -0.052 20 0 DBADRM CNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000223693116 959837789 /nfs/dbraw/zinc/83/77/89/959837789.db2.gz VBLBZQOXQJUBEV-UHFFFAOYSA-N -1 0 302.308 -0.582 20 0 DBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@H]1CCOC1=O ZINC000223690710 959838480 /nfs/dbraw/zinc/83/84/80/959838480.db2.gz WJFUDXQZZKAJFQ-QMMMGPOBSA-N -1 0 315.303 -0.013 20 0 DBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCNCC1 ZINC000223699883 959840328 /nfs/dbraw/zinc/84/03/28/959840328.db2.gz RODFPUWRAXGIHV-UHFFFAOYSA-N -1 0 300.336 -0.013 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)NC[C@]2(O)CCOC2)c1 ZINC000227115114 959921101 /nfs/dbraw/zinc/92/11/01/959921101.db2.gz SHWRBYIXDZSZJO-GFCCVEGCSA-N -1 0 319.310 -0.046 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000227115417 959921126 /nfs/dbraw/zinc/92/11/26/959921126.db2.gz GAPCXKXCAOFCGE-HQJQHLMTSA-N -1 0 304.324 -0.469 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000227116218 959923223 /nfs/dbraw/zinc/92/32/23/959923223.db2.gz STZPBWZQWAILCY-UFBFGSQYSA-N -1 0 318.351 -0.459 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000227116210 959923584 /nfs/dbraw/zinc/92/35/84/959923584.db2.gz STZPBWZQWAILCY-PRHODGIISA-N -1 0 318.351 -0.459 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(F)cn1 ZINC000228566789 960027067 /nfs/dbraw/zinc/02/70/67/960027067.db2.gz SKFXKULGGFELNB-VIFPVBQESA-N -1 0 316.310 -0.065 20 0 DBADRM CC(C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000228925744 960046413 /nfs/dbraw/zinc/04/64/13/960046413.db2.gz CCXOSEYMTPQAEL-QMMMGPOBSA-N -1 0 317.367 -0.085 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000229032441 960054701 /nfs/dbraw/zinc/05/47/01/960054701.db2.gz PUNXKTFDANPZPJ-SSDOTTSWSA-N -1 0 307.299 -0.191 20 0 DBADRM C[S@](=O)CCCNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000229335161 960078122 /nfs/dbraw/zinc/07/81/22/960078122.db2.gz SKRAWTCHHBZZGK-FQEVSTJZSA-N -1 0 303.344 -0.956 20 0 DBADRM C[C@@H](CCNC(=O)NCCn1cc(C(=O)[O-])nn1)[S@](C)=O ZINC000229851486 960097549 /nfs/dbraw/zinc/09/75/49/960097549.db2.gz CZAZMMLWSYIHBM-PPRQPISWSA-N -1 0 317.371 -0.567 20 0 DBADRM C[C@H]1CN(CC(=O)N2CCC(C(=O)[O-])CC2)C[C@@H](CO)O1 ZINC000229974278 960103361 /nfs/dbraw/zinc/10/33/61/960103361.db2.gz UVZTYYWUWPDNKC-JQWIXIFHSA-N -1 0 300.355 -0.609 20 0 DBADRM C[C@@]1(O)CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000230347901 960143955 /nfs/dbraw/zinc/14/39/55/960143955.db2.gz YBWHXCPUIVVRDJ-GFCCVEGCSA-N -1 0 317.367 -0.107 20 0 DBADRM Cn1cc(S(=O)(=O)NCCCOCCO)cc1C(=O)[O-] ZINC000230765649 960162655 /nfs/dbraw/zinc/16/26/55/960162655.db2.gz LDPADGHZBYSIFW-UHFFFAOYSA-N -1 0 306.340 -0.599 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000230811574 960167674 /nfs/dbraw/zinc/16/76/74/960167674.db2.gz ZVXWQNGMFYCLAU-ZETCQYMHSA-N -1 0 309.731 -0.452 20 0 DBADRM COC(C)(C)CC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000230927686 960173101 /nfs/dbraw/zinc/17/31/01/960173101.db2.gz WZXCIKCCACSTEI-SECBINFHSA-N -1 0 307.368 -0.098 20 0 DBADRM CNS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000231018072 960176881 /nfs/dbraw/zinc/17/68/81/960176881.db2.gz WULADTBXIDHEPY-UHFFFAOYSA-N -1 0 302.312 -0.550 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)Cc1ccccc1C(=O)[O-] ZINC000230987528 960177106 /nfs/dbraw/zinc/17/71/06/960177106.db2.gz PMAAGCDQEDJOPP-UHFFFAOYSA-N -1 0 314.363 -0.065 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ncccc1Br ZINC000231756232 960203740 /nfs/dbraw/zinc/20/37/40/960203740.db2.gz NPMFEVGHFORTLM-UHFFFAOYSA-N -1 0 316.111 -0.225 20 0 DBADRM CCC(C)(C)NC(=O)CS(=O)(=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000232880639 960301619 /nfs/dbraw/zinc/30/16/19/960301619.db2.gz QJBGZYRIZABNOT-VIFPVBQESA-N -1 0 322.383 -0.705 20 0 DBADRM CCCCNC(=O)[C@H](C)S(=O)(=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000232985233 960307789 /nfs/dbraw/zinc/30/77/89/960307789.db2.gz TUWWBXGUXXBATR-WPRPVWTQSA-N -1 0 322.383 -0.705 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)[C@@H](C)C(=O)NC(C)(C)C)C(=O)[O-] ZINC000235121669 960388683 /nfs/dbraw/zinc/38/86/83/960388683.db2.gz CXZBBKAMURSFCJ-JAEIOKQQSA-N -1 0 306.384 -0.372 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@](C)(C(N)=O)C2)c1C(=O)[O-] ZINC000235929931 960531461 /nfs/dbraw/zinc/53/14/61/960531461.db2.gz SKSUIVZEHQRKDO-NSHDSACASA-N -1 0 316.339 -0.698 20 0 DBADRM Cn1cncc1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000236070718 960546180 /nfs/dbraw/zinc/54/61/80/960546180.db2.gz JPKFJSXEZXXQQD-QMMMGPOBSA-N -1 0 301.324 -0.866 20 0 DBADRM Cn1cncc1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000236070730 960546222 /nfs/dbraw/zinc/54/62/22/960546222.db2.gz JPKFJSXEZXXQQD-MRVPVSSYSA-N -1 0 301.324 -0.866 20 0 DBADRM CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)NCCC(=O)[O-])c1 ZINC001571077043 960964507 /nfs/dbraw/zinc/96/45/07/960964507.db2.gz SQAKQTRXXHPAGL-UHFFFAOYSA-N -1 0 302.308 -0.215 20 0 DBADRM C[C@H](NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)C(=O)[O-] ZINC001571077171 960966158 /nfs/dbraw/zinc/96/61/58/960966158.db2.gz UGPAQVBXLKOSIP-QMMMGPOBSA-N -1 0 302.327 -0.329 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)NCC(=O)[O-] ZINC001571077202 960966666 /nfs/dbraw/zinc/96/66/66/960966666.db2.gz VZGOYZZBOZUHHQ-AMIZOPFISA-N -1 0 302.327 -0.052 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN[C@@H](c2cn[nH]c2)C1 ZINC001571084347 961029886 /nfs/dbraw/zinc/02/98/86/961029886.db2.gz AHQQFDXLISLOHL-SNVBAGLBSA-N -1 0 304.310 -0.372 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)CC2 ZINC001571091134 961098638 /nfs/dbraw/zinc/09/86/38/961098638.db2.gz AGUVLLYQNGLHBU-WAAGHKOSSA-N -1 0 306.322 -0.289 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CC2C(=O)N=CNC2=O)C[C@H]1C1CC1 ZINC001571096984 961181051 /nfs/dbraw/zinc/18/10/51/961181051.db2.gz VBCDVSVKMSORSH-VHSXEESVSA-N -1 0 307.306 -0.001 20 0 DBADRM C[C@@H](NC(=O)CCn1cccn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001485492656 1013234611 /nfs/dbraw/zinc/23/46/11/1013234611.db2.gz YSOISXNSKSTIAI-SNVBAGLBSA-N -1 0 319.369 -0.266 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000250003596 961207419 /nfs/dbraw/zinc/20/74/19/961207419.db2.gz SAYGDFHOUCLOHM-UWVGGRQHSA-N -1 0 319.383 -0.762 20 0 DBADRM CCCNC(=O)[C@H](C)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000250546546 961221415 /nfs/dbraw/zinc/22/14/15/961221415.db2.gz RIZHJRLLHYNSGO-VHSXEESVSA-N -1 0 306.384 -0.525 20 0 DBADRM CC[C@@H](C)NC(=O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000251919787 961262092 /nfs/dbraw/zinc/26/20/92/961262092.db2.gz QAQQECYSCIWHRJ-NXEZZACHSA-N -1 0 306.384 -0.525 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001571103610 961264512 /nfs/dbraw/zinc/26/45/12/961264512.db2.gz ZWNBTYVEICIQEN-BDAKNGLRSA-N -1 0 308.356 -0.431 20 0 DBADRM C[C@@](O)(CNC(=O)c1cnc2c(c1)NC(=O)CS2)C(=O)[O-] ZINC001571111205 961328635 /nfs/dbraw/zinc/32/86/35/961328635.db2.gz GSOVZGXWCVYQMC-GFCCVEGCSA-N -1 0 311.319 -0.309 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000262106411 961463634 /nfs/dbraw/zinc/46/36/34/961463634.db2.gz HHNOAQDZRNAEIH-JTQLQIEISA-N -1 0 310.397 -0.656 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001571125096 961483146 /nfs/dbraw/zinc/48/31/46/961483146.db2.gz BFMMJOPGEWRJBJ-JLIMGVALSA-N -1 0 315.347 -0.688 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001571125097 961483322 /nfs/dbraw/zinc/48/33/22/961483322.db2.gz BFMMJOPGEWRJBJ-JXUBOQSCSA-N -1 0 315.347 -0.688 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC001571129115 961531902 /nfs/dbraw/zinc/53/19/02/961531902.db2.gz YIWWCMWCCMPPET-SNVBAGLBSA-N -1 0 316.317 -0.055 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000262210952 961555716 /nfs/dbraw/zinc/55/57/16/961555716.db2.gz WYXJOBQQGGXFTC-ZJUUUORDSA-N -1 0 307.368 -0.242 20 0 DBADRM Cn1nncc1NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574474525 961641561 /nfs/dbraw/zinc/64/15/61/961641561.db2.gz PNNZYGAYRCQLGL-MRVPVSSYSA-N -1 0 310.314 -0.598 20 0 DBADRM NC(=O)CC1CC(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001574495810 961728975 /nfs/dbraw/zinc/72/89/75/961728975.db2.gz CHHMDCFMZLHUAB-RTBKNWGFSA-N -1 0 311.338 -0.920 20 0 DBADRM CN(CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)CCS(C)(=O)=O ZINC001571149768 961781421 /nfs/dbraw/zinc/78/14/21/961781421.db2.gz KDTCOHOPJVMCBP-WDEREUQCSA-N -1 0 320.411 -0.420 20 0 DBADRM CCCOCC(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001485593077 1013286215 /nfs/dbraw/zinc/28/62/15/1013286215.db2.gz DHTGAYPPAUUCJL-RTCCRHLQSA-N -1 0 309.370 -0.269 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC2CCOCC2)C[C@H]1C1CC1 ZINC001336626503 961966833 /nfs/dbraw/zinc/96/68/33/961966833.db2.gz ASFXCPXABOIIJK-NWDGAFQWSA-N -1 0 310.350 -0.149 20 0 DBADRM CN1CCN(S(=O)(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CC1 ZINC001598620818 1017353420 /nfs/dbraw/zinc/35/34/20/1017353420.db2.gz CCCGUUQSYIYHSZ-MNOVXSKESA-N -1 0 305.400 -0.288 20 0 DBADRM CN1C(=O)CN(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1=O ZINC001345110139 962232392 /nfs/dbraw/zinc/23/23/92/962232392.db2.gz YTIHPEGRQCKKHB-VHSXEESVSA-N -1 0 309.322 -0.550 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001598634022 1017361024 /nfs/dbraw/zinc/36/10/24/1017361024.db2.gz VFPYPDYAQAILIQ-VIFPVBQESA-N -1 0 307.354 -0.028 20 0 DBADRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000311491791 963482916 /nfs/dbraw/zinc/48/29/16/963482916.db2.gz JUCLLDOXSGSWTM-NTSWFWBYSA-N -1 0 303.258 -0.057 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000311936796 963524288 /nfs/dbraw/zinc/52/42/88/963524288.db2.gz WWXHWWUEHUAOTL-ZETCQYMHSA-N -1 0 309.365 -0.190 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)c(Cl)c1 ZINC000312276351 963550592 /nfs/dbraw/zinc/55/05/92/963550592.db2.gz NIUCLCZISXNYMY-DTORHVGOSA-N -1 0 321.738 -0.236 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)cc1F ZINC000312287003 963551077 /nfs/dbraw/zinc/55/10/77/963551077.db2.gz TXDLTCCXGXBHLI-UWVGGRQHSA-N -1 0 305.283 -0.750 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)c1ccc(C(=O)[O-])cn1 ZINC000312400515 963559350 /nfs/dbraw/zinc/55/93/50/963559350.db2.gz KUROPWCNYVLTSR-UHFFFAOYSA-N -1 0 301.324 -0.422 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)NCCCCS(N)(=O)=O)C1 ZINC000312631827 963579097 /nfs/dbraw/zinc/57/90/97/963579097.db2.gz MUNUDJYQFPWJCJ-LLVKDONJSA-N -1 0 307.372 -0.439 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccn1)C(=O)N(C)C ZINC000312633234 963580586 /nfs/dbraw/zinc/58/05/86/963580586.db2.gz IUETYAYEWAKLEZ-ZETCQYMHSA-N -1 0 301.324 -0.465 20 0 DBADRM CCNC(=O)NCCNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000312895334 963603101 /nfs/dbraw/zinc/60/31/01/963603101.db2.gz XNFORNUIZKQJEW-UHFFFAOYSA-N -1 0 305.312 -0.425 20 0 DBADRM CN(c1cc(C(=O)[O-])ncn1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000312925147 963605753 /nfs/dbraw/zinc/60/57/53/963605753.db2.gz DGBVJIKWSQIVNU-QMMMGPOBSA-N -1 0 300.340 -0.355 20 0 DBADRM C[C@@](CO)(NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000313508396 963653445 /nfs/dbraw/zinc/65/34/45/963653445.db2.gz NKEZHICMBQOWDO-LDWIPMOCSA-N -1 0 312.244 -0.651 20 0 DBADRM C[C@@H]1[C@H](NC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CCS1(=O)=O ZINC000313581288 963667155 /nfs/dbraw/zinc/66/71/55/963667155.db2.gz SSVXSJNVTDKCNS-ZYUZMQFOSA-N -1 0 304.368 -0.076 20 0 DBADRM O=C([O-])/C=C\c1ccc(S(=O)(=O)N[C@H]2CNC(=O)C2)cc1 ZINC000313742142 963678589 /nfs/dbraw/zinc/67/85/89/963678589.db2.gz UBQDVECJRPSYCP-XICOKMJESA-N -1 0 310.331 -0.049 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000313878845 963688172 /nfs/dbraw/zinc/68/81/72/963688172.db2.gz BKWNJBARUIFHCQ-JTQLQIEISA-N -1 0 317.363 -0.110 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCN1C(=O)CCC1=O ZINC000314127931 963714754 /nfs/dbraw/zinc/71/47/54/963714754.db2.gz MXXSJPRIPUAVSD-VIFPVBQESA-N -1 0 308.294 -0.939 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCCCC1=O ZINC000314194409 963724153 /nfs/dbraw/zinc/72/41/53/963724153.db2.gz ZRFUPCHZSHCLFJ-NSHDSACASA-N -1 0 308.338 -0.076 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598639963 1017363459 /nfs/dbraw/zinc/36/34/59/1017363459.db2.gz OOKZQWRIYBITGO-SSDOTTSWSA-N -1 0 308.294 -0.641 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1cn(-c2ccccc2)nn1 ZINC000314387926 963747464 /nfs/dbraw/zinc/74/74/64/963747464.db2.gz BXBLDDRTKYPFCO-ZYHUDNBSSA-N -1 0 302.290 -0.073 20 0 DBADRM CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000314495087 963761138 /nfs/dbraw/zinc/76/11/38/963761138.db2.gz QTZSLNZOFRXKPB-MRVPVSSYSA-N -1 0 315.351 -0.218 20 0 DBADRM CCNC(=O)NCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000314529592 963764629 /nfs/dbraw/zinc/76/46/29/963764629.db2.gz IOUCUVZQBCQVHU-UHFFFAOYSA-N -1 0 315.351 -0.018 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000314613943 963778025 /nfs/dbraw/zinc/77/80/25/963778025.db2.gz HTEUHNCWZPICDE-VIFPVBQESA-N -1 0 317.319 -0.495 20 0 DBADRM Cc1oc(CNC(=O)CN2C(=O)CN(C)C2=O)cc1C(=O)[O-] ZINC000314800459 963812966 /nfs/dbraw/zinc/81/29/66/963812966.db2.gz WNDVOXVICOTHCD-UHFFFAOYSA-N -1 0 309.278 -0.204 20 0 DBADRM CNC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001598638803 1017364024 /nfs/dbraw/zinc/36/40/24/1017364024.db2.gz GUGQOXDEJQZQOD-GMTAPVOTSA-N -1 0 313.354 -0.356 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@@H](CC(F)F)C(=O)[O-])CC1=O ZINC000314856664 963821477 /nfs/dbraw/zinc/82/14/77/963821477.db2.gz WECFRZBOYCAAOI-SFYZADRCSA-N -1 0 308.281 -0.294 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NCC(C)(C)CC(=O)[O-])CCO1 ZINC001598636693 1017364044 /nfs/dbraw/zinc/36/40/44/1017364044.db2.gz ACQDDCTVYJIKEW-VIFPVBQESA-N -1 0 301.343 -0.356 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCO1 ZINC001598638199 1017364093 /nfs/dbraw/zinc/36/40/93/1017364093.db2.gz VYKJBPAFFIRCSV-PUXPGTEJSA-N -1 0 311.338 -0.604 20 0 DBADRM COCCN(C)CCNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000314975268 963836585 /nfs/dbraw/zinc/83/65/85/963836585.db2.gz RAZQOHMUCRNSHQ-UHFFFAOYSA-N -1 0 317.367 -0.364 20 0 DBADRM CNC(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cn2C)C1 ZINC001598638818 1017364189 /nfs/dbraw/zinc/36/41/89/1017364189.db2.gz LVGQCJIVWQXOBC-QMMMGPOBSA-N -1 0 315.351 -0.520 20 0 DBADRM Cc1nc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])ccc1C#N ZINC000315349688 963887862 /nfs/dbraw/zinc/88/78/62/963887862.db2.gz GYSWFSALBVPXMO-NSHDSACASA-N -1 0 302.290 -0.323 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CN1CCCCCC1=O ZINC000315356528 963889156 /nfs/dbraw/zinc/88/91/56/963889156.db2.gz HZBFNSNYNWXZHL-SNVBAGLBSA-N -1 0 311.338 -0.809 20 0 DBADRM CC(=O)NCCCCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000315390782 963893755 /nfs/dbraw/zinc/89/37/55/963893755.db2.gz LBZJFXXUEUYTDZ-NSHDSACASA-N -1 0 313.354 -0.515 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1CC(=O)NCc1ccccc1 ZINC000315387926 963893997 /nfs/dbraw/zinc/89/39/97/963893997.db2.gz KRBWOHQRVDUGTL-LBPRGKRZSA-N -1 0 305.334 -0.422 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1CC(=O)NCc1ccccc1 ZINC000315387924 963894071 /nfs/dbraw/zinc/89/40/71/963894071.db2.gz KRBWOHQRVDUGTL-GFCCVEGCSA-N -1 0 305.334 -0.422 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])no1)c1nncn1C ZINC000315429171 963899989 /nfs/dbraw/zinc/89/99/89/963899989.db2.gz OWKYKMVENVPLQP-YFKPBYRVSA-N -1 0 301.284 -0.459 20 0 DBADRM C[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315443958 963901984 /nfs/dbraw/zinc/90/19/84/963901984.db2.gz QWLBCTCWDWUJDQ-QMMMGPOBSA-N -1 0 319.339 -0.628 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000315457066 963903937 /nfs/dbraw/zinc/90/39/37/963903937.db2.gz YPZIPGQDURPWHY-UHFFFAOYSA-N -1 0 321.399 -0.372 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)CN2C(=O)CNC2=O)cc1 ZINC000315732398 963930048 /nfs/dbraw/zinc/93/00/48/963930048.db2.gz MCINCPNRQWFZES-UHFFFAOYSA-N -1 0 305.290 -0.405 20 0 DBADRM CN(Cc1nccn1C)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000315897052 963948165 /nfs/dbraw/zinc/94/81/65/963948165.db2.gz MCZYEDLYFGTILU-UHFFFAOYSA-N -1 0 307.314 -0.449 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)CN2CCCCCC2=O)nn1 ZINC000315986431 963961815 /nfs/dbraw/zinc/96/18/15/963961815.db2.gz BTKRNHDKHVPKHZ-UHFFFAOYSA-N -1 0 309.326 -0.505 20 0 DBADRM CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C(C)(C)C1=O ZINC000316071711 963972553 /nfs/dbraw/zinc/97/25/53/963972553.db2.gz YREPPEQXXLEAFG-UHFFFAOYSA-N -1 0 317.323 -0.386 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])no2)C[C@H]1C ZINC000316191218 963987925 /nfs/dbraw/zinc/98/79/25/963987925.db2.gz LIYKLAMZCPTVQP-RNFRBKRXSA-N -1 0 318.307 -0.198 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)s1 ZINC000316442214 964012445 /nfs/dbraw/zinc/01/24/45/964012445.db2.gz RTDOUFLJIFVNCM-RQJHMYQMSA-N -1 0 307.349 -0.580 20 0 DBADRM CCCNC(=O)CCNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000316517577 964021585 /nfs/dbraw/zinc/02/15/85/964021585.db2.gz YSWYKKDWXAGEIF-UHFFFAOYSA-N -1 0 312.330 -0.808 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)NCc2ccc(C(=O)[O-])o2)C1=O ZINC000316792049 964057011 /nfs/dbraw/zinc/05/70/11/964057011.db2.gz REFFBUWIHWMQSG-QMMMGPOBSA-N -1 0 309.278 -0.076 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1nc2nccc(C)n2n1)C(=O)[O-] ZINC000316819602 964060244 /nfs/dbraw/zinc/06/02/44/964060244.db2.gz JBHCJIAJUXCKHL-ZETCQYMHSA-N -1 0 307.266 -0.821 20 0 DBADRM COc1cc(C(=O)NC[C@H](O)C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000316920305 964074458 /nfs/dbraw/zinc/07/44/58/964074458.db2.gz ZQSXNRCEHYIACZ-QMMMGPOBSA-N -1 0 314.250 -0.213 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC001598645435 1017365450 /nfs/dbraw/zinc/36/54/50/1017365450.db2.gz XBQQAPJPEDGGQX-UHFFFAOYSA-N -1 0 323.305 -0.741 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2nc(C)c(C)o2)c1[O-] ZINC001485986558 1013504133 /nfs/dbraw/zinc/50/41/33/1013504133.db2.gz DDTSVTFZFDHKEV-JTQLQIEISA-N -1 0 323.353 -0.091 20 0 DBADRM CNC(=O)NCCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001598651078 1017368880 /nfs/dbraw/zinc/36/88/80/1017368880.db2.gz VDWWZJSBQRSPKC-UHFFFAOYSA-N -1 0 308.341 -0.951 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])no2)CCO1 ZINC001598651734 1017369752 /nfs/dbraw/zinc/36/97/52/1017369752.db2.gz LEKGJNAGAAINFZ-SSDOTTSWSA-N -1 0 312.282 -0.857 20 0 DBADRM CNC(=O)NC(=O)CN1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001598650912 1017369285 /nfs/dbraw/zinc/36/92/85/1017369285.db2.gz AHLQDTLHOASHBH-LBPRGKRZSA-N -1 0 307.306 -0.038 20 0 DBADRM Cc1cc(C)nc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001486010696 1013555310 /nfs/dbraw/zinc/55/53/10/1013555310.db2.gz FHFJVDLJGZJOBW-SNVBAGLBSA-N -1 0 320.353 -0.597 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001486018747 1013567087 /nfs/dbraw/zinc/56/70/87/1013567087.db2.gz DQTWXUUSPHEBNV-USZNOCQGSA-N -1 0 323.397 -0.097 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1scc(C(=O)[O-])c1C ZINC001598655773 1017370677 /nfs/dbraw/zinc/37/06/77/1017370677.db2.gz HHUUWZPMFISKMX-LURJTMIESA-N -1 0 313.335 -0.056 20 0 DBADRM C[C@@H](C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1cccnc1 ZINC001486052408 1013630012 /nfs/dbraw/zinc/63/00/12/1013630012.db2.gz GUTMUVGMMFBNSC-KOLCDFICSA-N -1 0 320.353 -0.724 20 0 DBADRM COC(=O)[C@H]1CC(F)(F)CN1S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001598906054 1017473301 /nfs/dbraw/zinc/47/33/01/1017473301.db2.gz ZIYSWYMKOLUTAM-RNFRBKRXSA-N -1 0 315.294 -0.081 20 0 DBADRM COCCCNC(=O)[C@H](C)OC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001599225905 1017559521 /nfs/dbraw/zinc/55/95/21/1017559521.db2.gz WOEZVZCJXOYOPG-AEJSXWLSSA-N -1 0 303.311 -0.297 20 0 DBADRM CS(C)(=O)=NCCNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001599779983 1017631062 /nfs/dbraw/zinc/63/10/62/1017631062.db2.gz BHLKPDVYIRZBPU-UHFFFAOYSA-N -1 0 312.413 -0.112 20 0 DBADRM CC(=O)NCC(=O)N[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001486134773 1013692207 /nfs/dbraw/zinc/69/22/07/1013692207.db2.gz HFSCZSFJIIPTBG-YGRLFVJLSA-N -1 0 322.369 -0.740 20 0 DBADRM CC(=O)NCC(=O)N[C@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001486134770 1013693226 /nfs/dbraw/zinc/69/32/26/1013693226.db2.gz HFSCZSFJIIPTBG-HZMBPMFUSA-N -1 0 322.369 -0.740 20 0 DBADRM CC(C)(NS(=O)(=O)CCC1CCOCC1)[C@@H](O)C(=O)[O-] ZINC001603686904 1018221095 /nfs/dbraw/zinc/22/10/95/1018221095.db2.gz XNPAQRRNTJTZHC-JTQLQIEISA-N -1 0 309.384 -0.053 20 0 DBADRM CO[C@]1(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])CCS(=O)(=O)C1 ZINC001604481874 1018388279 /nfs/dbraw/zinc/38/82/79/1018388279.db2.gz YZPYHKORNCLYRF-YGOYTEALSA-N -1 0 305.352 -0.440 20 0 DBADRM O=C([O-])C[C@H]1CCCCN1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000038027855 967516939 /nfs/dbraw/zinc/51/69/39/967516939.db2.gz ZRCHDZHKXAYNDG-GHMZBOCLSA-N -1 0 318.395 -0.381 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N(CC(=O)[O-])CC(C)C)CC1=O ZINC001605471744 1018595699 /nfs/dbraw/zinc/59/56/99/1018595699.db2.gz VRRLSYUWSXTWOD-JTQLQIEISA-N -1 0 306.384 -0.020 20 0 DBADRM CCOC(=O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001605539711 1018615732 /nfs/dbraw/zinc/61/57/32/1018615732.db2.gz ZKXHNBXDCCQQTQ-UHFFFAOYSA-N -1 0 304.324 -0.093 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)CN1C[C@H](C(=O)[O-])CC1=O ZINC001606119441 1018723677 /nfs/dbraw/zinc/72/36/77/1018723677.db2.gz ZZMXADGWSYDCQC-VHSXEESVSA-N -1 0 304.368 -0.757 20 0 DBADRM CNS(=O)(=O)NCC(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001606303630 1018808811 /nfs/dbraw/zinc/80/88/11/1018808811.db2.gz PCWKYMMKRQGRDO-JTQLQIEISA-N -1 0 321.399 -0.563 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000250809161 967792306 /nfs/dbraw/zinc/79/23/06/967792306.db2.gz SSDRZTRNIVYDNZ-CABZTGNLSA-N -1 0 304.368 -0.771 20 0 DBADRM CCCn1c(C)nnc1CNCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596108965 1017113341 /nfs/dbraw/zinc/11/33/41/1017113341.db2.gz YOEYESZUFNTCBM-QWRGUYRKSA-N -1 0 309.370 -0.077 20 0 DBADRM CC[C@@H](CNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000313887656 967962817 /nfs/dbraw/zinc/96/28/17/967962817.db2.gz OOFIRBOAGFDMKL-VHSXEESVSA-N -1 0 321.399 -0.228 20 0 DBADRM COCCn1nc(C(=O)N(CC(=O)[O-])CC2CC2)ccc1=O ZINC000315853640 967976035 /nfs/dbraw/zinc/97/60/35/967976035.db2.gz LVAGMTLCDNKMCP-UHFFFAOYSA-N -1 0 309.322 -0.174 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000380398644 968081613 /nfs/dbraw/zinc/08/16/13/968081613.db2.gz AIIZEGXVWJORRU-VIFPVBQESA-N -1 0 307.372 -0.439 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC[C@H](N3CCOCC3)C2)nn1 ZINC000382519563 968098842 /nfs/dbraw/zinc/09/88/42/968098842.db2.gz ABBQUXHZMSXGLF-NSHDSACASA-N -1 0 323.353 -0.701 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)c1cc(S(N)(=O)=O)cn1C)C1CC1 ZINC000394835111 968218363 /nfs/dbraw/zinc/21/83/63/968218363.db2.gz AJSBMVHNTFBDET-SSDOTTSWSA-N -1 0 315.351 -0.250 20 0 DBADRM CCN(C(=O)[C@H]1CC(C(=O)[O-])=NO1)[C@H]1CCS(=O)(=O)C1 ZINC000395651285 968223584 /nfs/dbraw/zinc/22/35/84/968223584.db2.gz KXHURHVVSHURBB-IONNQARKSA-N -1 0 304.324 -0.749 20 0 DBADRM NC(=O)[C@H]1CSCCN1S(=O)(=O)CCCCCC(=O)[O-] ZINC001608229286 1019117697 /nfs/dbraw/zinc/11/76/97/1019117697.db2.gz HJTPLJHVLGKEFB-SECBINFHSA-N -1 0 324.424 -0.136 20 0 DBADRM COCCN(CCNC(=O)[C@@H]1CC1(F)F)Cc1n[nH]c(=O)[n-]1 ZINC001486428754 1013838954 /nfs/dbraw/zinc/83/89/54/1013838954.db2.gz RBQFFCZTLWADOT-QMMMGPOBSA-N -1 0 319.312 -0.270 20 0 DBADRM COCCN(CCNC(=O)c1cnco1)Cc1n[nH]c(=O)[n-]1 ZINC001486430162 1013839308 /nfs/dbraw/zinc/83/93/08/1013839308.db2.gz OMRMWRHNKJIQTE-UHFFFAOYSA-N -1 0 310.314 -0.623 20 0 DBADRM CC(=O)NCC(=O)NCC1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001486591641 1013861808 /nfs/dbraw/zinc/86/18/08/1013861808.db2.gz VMHQYJOQXQOHBG-UHFFFAOYSA-N -1 0 323.353 -0.816 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2cn(C3CCOCC3)nn2)CCOC1 ZINC001594723593 970251058 /nfs/dbraw/zinc/25/10/58/970251058.db2.gz HLGTXZLIIZQEPT-CYBMUJFWSA-N -1 0 310.310 -0.397 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N(CCO)C2CCC2)n1 ZINC001595148364 970309948 /nfs/dbraw/zinc/30/99/48/970309948.db2.gz PGOUCUAYKYLWKI-UHFFFAOYSA-N -1 0 310.310 -0.720 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000235789301 970312047 /nfs/dbraw/zinc/31/20/47/970312047.db2.gz PFSXRJPJYCADKG-UWVGGRQHSA-N -1 0 301.320 -0.581 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)NCC[C@H](O)C(=O)[O-])s1 ZINC000235791306 970312297 /nfs/dbraw/zinc/31/22/97/970312297.db2.gz NLRYIUNKJZHFOC-QMMMGPOBSA-N -1 0 300.336 -0.262 20 0 DBADRM O=C([O-])[C@H]1CC(C(=O)N[C@@H]2CNC(=O)C2)=NN1c1ccccc1 ZINC001606555000 970336067 /nfs/dbraw/zinc/33/60/67/970336067.db2.gz BTZSKTORHKGILN-JOYOIKCWSA-N -1 0 316.317 -0.289 20 0 DBADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CN1C(=O)CNC1=O)C2 ZINC000317284488 970344627 /nfs/dbraw/zinc/34/46/27/970344627.db2.gz KHRPYJOYACOYBE-UHFFFAOYSA-N -1 0 303.274 -0.221 20 0 DBADRM CC(C)NC(=O)CCNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000317431753 970358231 /nfs/dbraw/zinc/35/82/31/970358231.db2.gz QILAEYIBQUDJND-UHFFFAOYSA-N -1 0 312.330 -0.810 20 0 DBADRM COCCn1nc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)ccc1=O ZINC000317425511 970358365 /nfs/dbraw/zinc/35/83/65/970358365.db2.gz KYXONCIWNYITOR-ZJUUUORDSA-N -1 0 309.322 -0.175 20 0 DBADRM CC(C)CNC(=O)CNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000317442693 970359434 /nfs/dbraw/zinc/35/94/34/970359434.db2.gz SGOVTKMEFQLJMD-UHFFFAOYSA-N -1 0 312.330 -0.952 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1=O ZINC000317780478 970387181 /nfs/dbraw/zinc/38/71/81/970387181.db2.gz XHHWAQWTMNYWNG-RKDXNWHRSA-N -1 0 313.310 -0.981 20 0 DBADRM CO[C@]1(CNC(=O)NCCn2cc(C(=O)[O-])nn2)CCOC1 ZINC000317786796 970387246 /nfs/dbraw/zinc/38/72/46/970387246.db2.gz WMWVYINJMLYCFC-LBPRGKRZSA-N -1 0 313.314 -0.919 20 0 DBADRM COCC(=O)NC1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000318147123 970412332 /nfs/dbraw/zinc/41/23/32/970412332.db2.gz VJMHTBRYJLHGEK-MNOVXSKESA-N -1 0 314.338 -0.628 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1CC(=O)NCCOc1ccccc1 ZINC000318161733 970414532 /nfs/dbraw/zinc/41/45/32/970414532.db2.gz FCBMBFMXTFYEHW-DGCLKSJQSA-N -1 0 308.334 -0.299 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN1CC(=O)NCCOc1ccccc1 ZINC000318161732 970414618 /nfs/dbraw/zinc/41/46/18/970414618.db2.gz FCBMBFMXTFYEHW-AAEUAGOBSA-N -1 0 308.334 -0.299 20 0 DBADRM COc1cccc(CNC(=O)CN2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000318442029 970434133 /nfs/dbraw/zinc/43/41/33/970434133.db2.gz OCPPOJSEWMDCEQ-DGCLKSJQSA-N -1 0 308.334 -0.169 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000318710670 970463982 /nfs/dbraw/zinc/46/39/82/970463982.db2.gz JMWMBXQZUCOFGB-UHFFFAOYSA-N -1 0 305.290 -0.498 20 0 DBADRM CC(C)C(=O)NCCC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001487525123 1014000182 /nfs/dbraw/zinc/00/01/82/1014000182.db2.gz MBQCNMLPLLBTGG-SECBINFHSA-N -1 0 313.358 -0.254 20 0 DBADRM C[C@@H](O)C[C@@H]1CCCN1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000319459674 970538901 /nfs/dbraw/zinc/53/89/01/970538901.db2.gz UVSXOKFCARRWBV-ZJUUUORDSA-N -1 0 311.342 -0.079 20 0 DBADRM CS(=O)(=O)c1ccc(N2CC(n3cc(C(=O)[O-])nn3)C2)nc1 ZINC000319642866 970557764 /nfs/dbraw/zinc/55/77/64/970557764.db2.gz CJMUFVAPNGFFLC-UHFFFAOYSA-N -1 0 323.334 -0.164 20 0 DBADRM COc1cc(NC(=O)CN2C(=O)CNC2=O)ccc1C(=O)[O-] ZINC000319975224 970596785 /nfs/dbraw/zinc/59/67/85/970596785.db2.gz LPVFMCXFUWRABY-UHFFFAOYSA-N -1 0 307.262 -0.116 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000320177169 970625696 /nfs/dbraw/zinc/62/56/96/970625696.db2.gz YJKMLNYFVQIXTI-UHFFFAOYSA-N -1 0 306.318 -0.234 20 0 DBADRM C[C@@H](CN(C)C(=O)C1=CCCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001487748085 1014027631 /nfs/dbraw/zinc/02/76/31/1014027631.db2.gz LWPMRTSBYYSUKL-QMMMGPOBSA-N -1 0 321.337 -0.030 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000320682599 970698300 /nfs/dbraw/zinc/69/83/00/970698300.db2.gz OYFSYILYTHMPHM-RYUDHWBXSA-N -1 0 320.349 -0.077 20 0 DBADRM CC[C@@](COC)(NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000392884270 972538052 /nfs/dbraw/zinc/53/80/52/972538052.db2.gz OWTBSSVEGOTGRH-CABZTGNLSA-N -1 0 322.383 -0.305 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1ccc[nH]1 ZINC001487856656 1014045000 /nfs/dbraw/zinc/04/50/00/1014045000.db2.gz SISXSEIBLMGEMQ-MRVPVSSYSA-N -1 0 322.325 -0.706 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NCC(=O)NCC(F)F)c1 ZINC000393652308 972621912 /nfs/dbraw/zinc/62/19/12/972621912.db2.gz DZXJUWCXQZQSNE-UHFFFAOYSA-N -1 0 323.277 -0.561 20 0 DBADRM CC(C)(C)[C@@H](CO)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000393937934 972658145 /nfs/dbraw/zinc/65/81/45/972658145.db2.gz XPVWVSOYOKFMQM-SECBINFHSA-N -1 0 305.356 -0.347 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2ccccc2C(=O)[O-])C[C@H]1O ZINC000395810529 972832801 /nfs/dbraw/zinc/83/28/01/972832801.db2.gz LAFXPVUMWPAYLO-NXEZZACHSA-N -1 0 301.320 -0.235 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC=CCC2)c1[O-] ZINC001487938627 1014064868 /nfs/dbraw/zinc/06/48/68/1014064868.db2.gz KOTJGCJMUMCTQN-WDEREUQCSA-N -1 0 322.365 -0.013 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCNC(=O)CC2)o1 ZINC000396649064 972930585 /nfs/dbraw/zinc/93/05/85/972930585.db2.gz JJAYLRJZLPMWTA-ZETCQYMHSA-N -1 0 302.308 -0.075 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC000396846361 972944556 /nfs/dbraw/zinc/94/45/56/972944556.db2.gz CCVNMJWLZKLQTF-DTWKUNHWSA-N -1 0 319.335 -0.350 20 0 DBADRM COCCN1C[C@H](C(=O)Nc2ccncc2C(=O)[O-])CC1=O ZINC000397433104 973000797 /nfs/dbraw/zinc/00/07/97/973000797.db2.gz SKPFXIPVECHZSH-SECBINFHSA-N -1 0 307.306 -0.365 20 0 DBADRM C[C@H]1CSC[C@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000397971986 973044820 /nfs/dbraw/zinc/04/48/20/973044820.db2.gz ICHRMNTWVKOWGE-IONNQARKSA-N -1 0 305.381 -0.003 20 0 DBADRM C[C@@H]1CSC[C@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000397971993 973045123 /nfs/dbraw/zinc/04/51/23/973045123.db2.gz ICHRMNTWVKOWGE-VXNVDRBHSA-N -1 0 305.381 -0.003 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCOC(F)(F)F)cn1 ZINC000398217542 973083669 /nfs/dbraw/zinc/08/36/69/973083669.db2.gz MLFNJCIHRMVXEF-UHFFFAOYSA-N -1 0 317.245 -0.218 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000398217800 973084483 /nfs/dbraw/zinc/08/44/83/973084483.db2.gz BBIKOPJWOPDTHZ-SSDOTTSWSA-N -1 0 322.270 -0.152 20 0 DBADRM C[C@H](NC(=O)c1cccs1)C(=O)NC[C@H](O)CC(=O)[O-] ZINC000398223512 973085574 /nfs/dbraw/zinc/08/55/74/973085574.db2.gz FBVNTSCODQORLK-JGVFFNPUSA-N -1 0 300.336 -0.182 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000398264048 973097428 /nfs/dbraw/zinc/09/74/28/973097428.db2.gz ABCMOAXBFDANPJ-ZETCQYMHSA-N -1 0 307.262 -0.473 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@H](C)C2CC2)c1[O-] ZINC001487970812 1014087250 /nfs/dbraw/zinc/08/72/50/1014087250.db2.gz OGTBTYIRRARXFS-XCBNKYQSSA-N -1 0 310.354 -0.323 20 0 DBADRM C[C@@H]1CC[C@H](O)CN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000399296406 973210633 /nfs/dbraw/zinc/21/06/33/973210633.db2.gz NUMAUMZRFWYRDU-BDAKNGLRSA-N -1 0 303.340 -0.498 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000400198608 973260428 /nfs/dbraw/zinc/26/04/28/973260428.db2.gz ZEWBPTRYPCDWKL-UHFFFAOYSA-N -1 0 315.351 -0.133 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001596247897 1017123917 /nfs/dbraw/zinc/12/39/17/1017123917.db2.gz XLMSKBCLVDXRJI-AOOOYVTPSA-N -1 0 313.354 -0.707 20 0 DBADRM CCN(CC)C(=O)CN1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001596247753 1017123966 /nfs/dbraw/zinc/12/39/66/1017123966.db2.gz VQXFDIPVPOAAKB-NWDGAFQWSA-N -1 0 311.382 -0.282 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC000401310563 973354515 /nfs/dbraw/zinc/35/45/15/973354515.db2.gz XALGUMAYWYSLBK-QMMMGPOBSA-N -1 0 309.388 -0.612 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)n[nH]1 ZINC001571087892 1025822222 /nfs/dbraw/zinc/82/22/22/1025822222.db2.gz NZCLRLPIVLGEFM-MRVPVSSYSA-N -1 0 305.312 -0.416 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)c1ccsc1C(=O)[O-] ZINC001571096217 1025828019 /nfs/dbraw/zinc/82/80/19/1025828019.db2.gz IAONGIQLNYFMSO-ZCFIWIBFSA-N -1 0 307.349 -0.418 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401801041 973396027 /nfs/dbraw/zinc/39/60/27/973396027.db2.gz UCLMOQYYSBCVAK-IJLUTSLNSA-N -1 0 315.370 -0.816 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(S(=O)(=O)c2cccnc2F)C1 ZINC000401835752 973433544 /nfs/dbraw/zinc/43/35/44/973433544.db2.gz PXIBFVMJYRVOJC-JGVFFNPUSA-N -1 0 304.299 -0.323 20 0 DBADRM Cc1ccnc2nc(C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)nn21 ZINC000401839740 973438151 /nfs/dbraw/zinc/43/81/51/973438151.db2.gz SKGQFLMVFQBGSZ-DTWKUNHWSA-N -1 0 305.294 -0.660 20 0 DBADRM Cc1ccnc2nc(C(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)nn21 ZINC000401839744 973438729 /nfs/dbraw/zinc/43/87/29/973438729.db2.gz SKGQFLMVFQBGSZ-IUCAKERBSA-N -1 0 305.294 -0.660 20 0 DBADRM C[C@H]1C[C@@H](O)CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000401847536 973446581 /nfs/dbraw/zinc/44/65/81/973446581.db2.gz STDIOVOQEMGYIP-DTWKUNHWSA-N -1 0 303.340 -0.641 20 0 DBADRM CS(=O)(=O)c1cccnc1N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401850828 973451100 /nfs/dbraw/zinc/45/11/00/973451100.db2.gz ZPTIYKCQSFRWMA-IUCAKERBSA-N -1 0 300.336 -0.243 20 0 DBADRM COCCn1cc(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC000401899437 973504151 /nfs/dbraw/zinc/50/41/51/973504151.db2.gz PKBDWKOUIYWONK-ONGXEEELSA-N -1 0 312.326 -0.171 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(-n3cncn3)nc2)C1 ZINC000401902584 973510396 /nfs/dbraw/zinc/51/03/96/973510396.db2.gz FYDIHRJTJZMUGS-GHMZBOCLSA-N -1 0 317.305 -0.430 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2nnnn2C[C@H]2CCCO2)C1 ZINC001604541087 973512905 /nfs/dbraw/zinc/51/29/05/973512905.db2.gz GCJKUJXQCIJECU-MFKMUULPSA-N -1 0 311.342 -0.220 20 0 DBADRM C[S@](=O)C1(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC000401907283 973518372 /nfs/dbraw/zinc/51/83/72/973518372.db2.gz IKTHMGKICXWYLX-WDKLKTEZSA-N -1 0 304.368 -0.626 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2cncc(-n3cncn3)n2)C1 ZINC001604541373 973519846 /nfs/dbraw/zinc/51/98/46/973519846.db2.gz OIYLEYWNWODLFA-CYBMUJFWSA-N -1 0 304.310 -0.015 20 0 DBADRM CC(C)CNC(=O)NC(=O)CN1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401908501 973520042 /nfs/dbraw/zinc/52/00/42/973520042.db2.gz RUTNURUUWSPLPB-VHSXEESVSA-N -1 0 301.343 -0.764 20 0 DBADRM Cc1nnc(CCNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)s1 ZINC000401910707 973523342 /nfs/dbraw/zinc/52/33/42/973523342.db2.gz KSOGWGXKSGWOBU-RKDXNWHRSA-N -1 0 314.367 -0.134 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=S)NCC(=O)N(C)C)C1 ZINC001604541771 973527146 /nfs/dbraw/zinc/52/71/46/973527146.db2.gz JNJXXIDCOULHNU-LBPRGKRZSA-N -1 0 303.384 -0.628 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2nnnn2[C@@H]2CCCOC2)C1 ZINC001604542060 973530368 /nfs/dbraw/zinc/53/03/68/973530368.db2.gz ZPEPNFURZGRFNY-ZWNOBZJWSA-N -1 0 311.342 -0.048 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401920713 973534685 /nfs/dbraw/zinc/53/46/85/973534685.db2.gz NGSSJIIKOSUXQJ-VHSXEESVSA-N -1 0 317.367 -0.507 20 0 DBADRM CCn1cc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)nc1C ZINC000401926147 973539433 /nfs/dbraw/zinc/53/94/33/973539433.db2.gz RIBXQGKOVIOUTM-NXEZZACHSA-N -1 0 317.367 -0.332 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)CCO1 ZINC001604548774 973540681 /nfs/dbraw/zinc/54/06/81/973540681.db2.gz BJPDPZNPCBTDRP-ICUOPCATSA-N -1 0 314.338 -0.182 20 0 DBADRM CCC(=O)N[C@@H](CCSC)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001573660393 1026609990 /nfs/dbraw/zinc/60/99/90/1026609990.db2.gz JEPDPMYLUASXJW-UFBFGSQYSA-N -1 0 306.384 -0.414 20 0 DBADRM C[C@@H]1CCCCN1S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401969881 973576417 /nfs/dbraw/zinc/57/64/17/973576417.db2.gz KLLFBPLQCFTJJB-VWYCJHECSA-N -1 0 306.384 -0.127 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(S(=O)(=O)N2CCCCCC2)C1 ZINC000401971367 973577550 /nfs/dbraw/zinc/57/75/50/973577550.db2.gz MXDQDZOJESTQAX-MNOVXSKESA-N -1 0 306.384 -0.125 20 0 DBADRM Cn1nccc1[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-] ZINC000402534445 973620033 /nfs/dbraw/zinc/62/00/33/973620033.db2.gz STYJZKKRWBVNCS-LLVKDONJSA-N -1 0 321.318 -0.209 20 0 DBADRM C[C@H]1CCN(C(=O)NCC(=O)N=S(C)(C)=O)C[C@@H]1C(=O)[O-] ZINC001573727030 1026624659 /nfs/dbraw/zinc/62/46/59/1026624659.db2.gz RUCHSARXKVHEHA-IUCAKERBSA-N -1 0 319.383 -0.007 20 0 DBADRM CCNC(=O)CCC(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001573778383 1026632530 /nfs/dbraw/zinc/63/25/30/1026632530.db2.gz ULGHMYPFLXAYEI-OAQYLSRUSA-N -1 0 318.395 -0.273 20 0 DBADRM CC[N@H+](CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1n[nH]c(=O)[n-]1 ZINC001596327034 1017126681 /nfs/dbraw/zinc/12/66/81/1017126681.db2.gz QLJMAEPMYMJXAU-IUCAKERBSA-N -1 0 311.342 -0.441 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CC1 ZINC000405227757 973793158 /nfs/dbraw/zinc/79/31/58/973793158.db2.gz UGAMYLRNEXZWBX-VHSXEESVSA-N -1 0 313.354 -0.348 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NC[C@H](CC2CC2)C(=O)[O-])C1=O ZINC000405364306 973850552 /nfs/dbraw/zinc/85/05/52/973850552.db2.gz VQUFEEVLLWZTJM-VIFPVBQESA-N -1 0 311.338 -0.066 20 0 DBADRM O=C([O-])c1cnc(CNCCN2CCCS2(=O)=O)s1 ZINC000405435334 973877836 /nfs/dbraw/zinc/87/78/36/973877836.db2.gz MDPRUBBHPAIEMG-UHFFFAOYSA-N -1 0 305.381 -0.034 20 0 DBADRM NS(=O)(=O)CCCNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405430689 973878226 /nfs/dbraw/zinc/87/82/26/973878226.db2.gz YRHZBMUAOLIELO-SECBINFHSA-N -1 0 319.383 -0.439 20 0 DBADRM Cn1cc(S(=O)(=O)NCCN2CCCC2=O)cc1C(=O)[O-] ZINC000405513302 973893452 /nfs/dbraw/zinc/89/34/52/973893452.db2.gz ZJCJIYQIFOIPNW-UHFFFAOYSA-N -1 0 315.351 -0.376 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCSC[C@H]1C(=O)[O-] ZINC000417472392 973954342 /nfs/dbraw/zinc/95/43/42/973954342.db2.gz IPSQYVJBQWMTTL-YUMQZZPRSA-N -1 0 311.381 -0.373 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccnn1C ZINC001591720527 975652715 /nfs/dbraw/zinc/65/27/15/975652715.db2.gz PGSXGIKREICIKS-VIFPVBQESA-N -1 0 305.356 -0.081 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnnn1C ZINC001591720774 975654206 /nfs/dbraw/zinc/65/42/06/975654206.db2.gz UAOKWAIPCUBSSA-MRVPVSSYSA-N -1 0 306.344 -0.686 20 0 DBADRM CC(C)OCCCNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001591722722 975666147 /nfs/dbraw/zinc/66/61/47/975666147.db2.gz LLPPPBPQKAYVIK-QWRGUYRKSA-N -1 0 316.354 -0.788 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)C[C@H]2COC(=O)C2)c1[O-] ZINC001528042246 1014342518 /nfs/dbraw/zinc/34/25/18/1014342518.db2.gz PJUBDUODOAWDSF-SECBINFHSA-N -1 0 324.337 -0.435 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)CC2(O)CCC2)c1[O-] ZINC001528103766 1014359274 /nfs/dbraw/zinc/35/92/74/1014359274.db2.gz BZIZGIYULMRJSX-UHFFFAOYSA-N -1 0 310.354 -0.083 20 0 DBADRM COC(=O)CN(C)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013199800 977395255 /nfs/dbraw/zinc/39/52/55/977395255.db2.gz YRGNNIXKURHZSU-UHFFFAOYSA-N -1 0 303.292 -0.116 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2[C@H](C(=O)[O-])C[C@@H]3OCC[C@@H]32)C1 ZINC000926596825 977445448 /nfs/dbraw/zinc/44/54/48/977445448.db2.gz OZXZQBARBSRCCT-NAKRPEOUSA-N -1 0 304.368 -0.111 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2OCC[C@@H]2N1S(=O)(=O)[C@@H]1CCCOC1 ZINC000926594980 977445660 /nfs/dbraw/zinc/44/56/60/977445660.db2.gz ANEFQBRPLBUHBK-YTWAJWBKSA-N -1 0 305.352 -0.188 20 0 DBADRM COCC(=O)NC[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C ZINC001052377514 977718431 /nfs/dbraw/zinc/71/84/31/977718431.db2.gz MQDQEIKAHMZNNS-SCZZXKLOSA-N -1 0 310.354 -0.106 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@@]1(C)C=CCC1 ZINC001528479031 1014421781 /nfs/dbraw/zinc/42/17/81/1014421781.db2.gz SEFUMKAIRHCKAI-AWEZNQCLSA-N -1 0 323.353 -0.380 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnon1 ZINC001052808074 977818149 /nfs/dbraw/zinc/81/81/49/977818149.db2.gz ZQLMRHMRWNVPRK-QMMMGPOBSA-N -1 0 307.314 -0.322 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)c1nnc[nH]1 ZINC001052805763 977818860 /nfs/dbraw/zinc/81/88/60/977818860.db2.gz UUVQRNSOMFNYAN-MRVPVSSYSA-N -1 0 306.330 -0.587 20 0 DBADRM O=C(c1cnco1)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053364052 977939844 /nfs/dbraw/zinc/93/98/44/977939844.db2.gz OVNNSCZHIMGNKI-UHFFFAOYSA-N -1 0 320.309 -0.775 20 0 DBADRM O=C([C@@H]1CC12CC2)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053446852 977962791 /nfs/dbraw/zinc/96/27/91/977962791.db2.gz IQVNHSMXYWSDRG-JTQLQIEISA-N -1 0 319.365 -0.276 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCC3(CN(C[C@@H](C)O)C3)O2)c1[O-] ZINC001053589624 978002458 /nfs/dbraw/zinc/00/24/58/978002458.db2.gz MTTUMIBGWPDQCY-KOLCDFICSA-N -1 0 324.381 -0.232 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCC3(CN(CCCO)C3)O2)c1[O-] ZINC001053589262 978003197 /nfs/dbraw/zinc/00/31/97/978003197.db2.gz DXOHTQMETBHOCJ-NSHDSACASA-N -1 0 324.381 -0.231 20 0 DBADRM O=C(CC1CC1)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053720344 978037955 /nfs/dbraw/zinc/03/79/55/978037955.db2.gz UKYRNWCQGYIUNF-SNVBAGLBSA-N -1 0 307.354 -0.230 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)[C@@H]1CCCO1 ZINC001053730102 978041952 /nfs/dbraw/zinc/04/19/52/978041952.db2.gz YBNKMSJPOGMENH-UWVGGRQHSA-N -1 0 323.353 -0.851 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1ccoc1 ZINC001053738208 978043578 /nfs/dbraw/zinc/04/35/78/978043578.db2.gz FVOURGXAWYDHDL-JTQLQIEISA-N -1 0 319.321 -0.123 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)[C@H]1CCOC1 ZINC001053751686 978053055 /nfs/dbraw/zinc/05/30/55/978053055.db2.gz NTZZJYJIENZEHZ-UWVGGRQHSA-N -1 0 323.353 -0.994 20 0 DBADRM CC(C)CN1CC2(C1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053859017 978117518 /nfs/dbraw/zinc/11/75/18/978117518.db2.gz YAHATIUWOCVKBD-SECBINFHSA-N -1 0 323.353 -0.488 20 0 DBADRM CCN(CCNC(=O)CC1CC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001528722858 1014462165 /nfs/dbraw/zinc/46/21/65/1014462165.db2.gz QXAIFPJLGHSXKA-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM CCOC(=O)CN1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001207418349 978194058 /nfs/dbraw/zinc/19/40/58/978194058.db2.gz YPWXCMLZPPVHLH-UHFFFAOYSA-N -1 0 308.400 -0.165 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001596383921 1017134345 /nfs/dbraw/zinc/13/43/45/1017134345.db2.gz IGENLMGHRCSGGF-UHFFFAOYSA-N -1 0 306.296 -0.334 20 0 DBADRM C[C@@H]1CN(CCF)C[C@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001207784442 978254656 /nfs/dbraw/zinc/25/46/56/978254656.db2.gz KFNYUWPTBDEECX-NXEZZACHSA-N -1 0 315.349 -0.125 20 0 DBADRM COC(=O)C1CCN(c2ncc(N=c3nn[n-]n3C)cn2)CC1 ZINC001210697495 978527830 /nfs/dbraw/zinc/52/78/30/978527830.db2.gz PRDNLRJWFHBXDX-UHFFFAOYSA-N -1 0 318.341 -0.445 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)CSC ZINC001528975414 1014499490 /nfs/dbraw/zinc/49/94/90/1014499490.db2.gz JKFBYMGJBOTDRT-UHFFFAOYSA-N -1 0 315.355 -0.776 20 0 DBADRM Cc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)nc1 ZINC001211010646 978550966 /nfs/dbraw/zinc/55/09/66/978550966.db2.gz TUQLGIHUHZAECZ-UHFFFAOYSA-N -1 0 312.311 -0.599 20 0 DBADRM O=C1NC2(CCCCC2)C(=O)N1[N-]S(=O)(=O)c1ncc[nH]1 ZINC001211521373 978574884 /nfs/dbraw/zinc/57/48/84/978574884.db2.gz MLOWNSPASRXCAM-UHFFFAOYSA-N -1 0 313.339 -0.142 20 0 DBADRM CC[C@H](OC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001212001959 978605931 /nfs/dbraw/zinc/60/59/31/978605931.db2.gz CPAYBCZQSOBJAC-KXUCPTDWSA-N -1 0 313.358 -0.749 20 0 DBADRM CCOCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001212020001 978609116 /nfs/dbraw/zinc/60/91/16/978609116.db2.gz MHUDECMLZYKIQT-NXEZZACHSA-N -1 0 313.358 -0.748 20 0 DBADRM COC(=O)/C=C/[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC001214069684 978709452 /nfs/dbraw/zinc/70/94/52/978709452.db2.gz KPAMHQPSYKLSGI-SMMXGFFBSA-N -1 0 318.307 -0.143 20 0 DBADRM COC(=O)/C=C\[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC001214069683 978709632 /nfs/dbraw/zinc/70/96/32/978709632.db2.gz KPAMHQPSYKLSGI-MJSGSUOKSA-N -1 0 318.307 -0.143 20 0 DBADRM Nc1cccnc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001218223248 978822703 /nfs/dbraw/zinc/82/27/03/978822703.db2.gz FCSSSOXSBCZOLD-JTQLQIEISA-N -1 0 317.367 -0.369 20 0 DBADRM [NH3+][C@@H](Cc1nnn[n-]1)C(=O)Nc1cncnc1Br ZINC001218570234 978832898 /nfs/dbraw/zinc/83/28/98/978832898.db2.gz HSFHCLSXNWWGEW-BYPYZUCNSA-N -1 0 313.119 -0.739 20 0 DBADRM CCC[C@@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219343388 978919153 /nfs/dbraw/zinc/91/91/53/978919153.db2.gz ZFWIXQHETZBYDL-MXWKQRLJSA-N -1 0 311.386 -0.002 20 0 DBADRM CC(=O)N[C@@H](C)C[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001488727892 1014535372 /nfs/dbraw/zinc/53/53/72/1014535372.db2.gz YYPURDSZXQMJFD-DTWKUNHWSA-N -1 0 320.353 -0.509 20 0 DBADRM CS[C@@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219483985 978949058 /nfs/dbraw/zinc/94/90/58/978949058.db2.gz FZMSKHYRMDZQGU-YIZRAAEISA-N -1 0 315.399 -0.687 20 0 DBADRM CC(C)(CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC1 ZINC001219573582 978970210 /nfs/dbraw/zinc/97/02/10/978970210.db2.gz XUFDZFMECNTAFQ-MNOVXSKESA-N -1 0 323.397 -0.002 20 0 DBADRM CCN1C[C@@H](CNC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1=O ZINC001596397760 1017136522 /nfs/dbraw/zinc/13/65/22/1017136522.db2.gz NQLYLXIWLBTPQF-MXWKQRLJSA-N -1 0 313.354 -0.262 20 0 DBADRM N=C(NC(=O)c1cnc(CN)s1)SCCS(=O)(=O)[O-] ZINC001220127534 979105691 /nfs/dbraw/zinc/10/56/91/979105691.db2.gz YNPQVMRHPIJLSE-UHFFFAOYSA-N -1 0 324.409 -0.113 20 0 DBADRM CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)NCCOP(=O)([O-])[O-])C1 ZINC001220220693 979139745 /nfs/dbraw/zinc/13/97/45/979139745.db2.gz BBHXBDBISBGHNM-BDAKNGLRSA-N -1 0 310.287 -0.243 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221248718 979390866 /nfs/dbraw/zinc/39/08/66/979390866.db2.gz IMGMBRMKBDHPKV-JMJZKYOTSA-N -1 0 322.369 -0.932 20 0 DBADRM COCCCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221319850 979399831 /nfs/dbraw/zinc/39/98/31/979399831.db2.gz LKPCNWISSCIHRE-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM CCC(=O)NCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221451549 979428457 /nfs/dbraw/zinc/42/84/57/979428457.db2.gz NHCXVAGEDXLACO-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1noc(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001222396438 979509267 /nfs/dbraw/zinc/50/92/67/979509267.db2.gz DUTSPAZUUVMZQD-SNVBAGLBSA-N -1 0 321.355 -0.517 20 0 DBADRM NS(=O)(=O)c1cccc(COC(=O)[C@H](O)CCC(=O)[O-])c1 ZINC001222758919 979528578 /nfs/dbraw/zinc/52/85/78/979528578.db2.gz LALKSFNDRDAZLD-SNVBAGLBSA-N -1 0 317.319 -0.397 20 0 DBADRM Cn1ccnc1CO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001222938065 979532994 /nfs/dbraw/zinc/53/29/94/979532994.db2.gz BMVZPICZACYERA-NSHDSACASA-N -1 0 319.383 -0.475 20 0 DBADRM C=CS(=O)(=O)CC(CS(=O)(=O)C=C)OCc1nnn[n-]1 ZINC001223029439 979534745 /nfs/dbraw/zinc/53/47/45/979534745.db2.gz LKTUAWOCGRKDIB-UHFFFAOYSA-N -1 0 322.368 -0.799 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCc1c[nH]cn1 ZINC001222999714 979534775 /nfs/dbraw/zinc/53/47/75/979534775.db2.gz GOVDNKYKWTWBDO-LLVKDONJSA-N -1 0 305.356 -0.485 20 0 DBADRM Cn1cnc(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001223553615 979553017 /nfs/dbraw/zinc/55/30/17/979553017.db2.gz ZRAKIRJOGKFZLZ-GFCCVEGCSA-N -1 0 319.383 -0.475 20 0 DBADRM CC1(C)O[C@H]2O[C@@H]3[C@H](OCCS(=O)(=O)[O-])C(=O)O[C@@H]3[C@H]2O1 ZINC001224570861 979576612 /nfs/dbraw/zinc/57/66/12/979576612.db2.gz DJGNMUPRSCKJIW-UFNQKSLJSA-N -1 0 324.307 -0.939 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H](CCSC)C(=O)N(C)OC ZINC001224699347 979580624 /nfs/dbraw/zinc/58/06/24/979580624.db2.gz RPRCGYUIBILJBQ-QMMMGPOBSA-N -1 0 322.387 -0.895 20 0 DBADRM O=C(OCCC[NH+]1CCCCC1)[C@H](O)COP(=O)([O-])[O-] ZINC001224858814 979587232 /nfs/dbraw/zinc/58/72/32/979587232.db2.gz GFJYQIAGTANRPG-SNVBAGLBSA-N -1 0 311.271 -0.124 20 0 DBADRM O=C([O-])C[C@H](C(=O)OCCC[NH+]1CCCCC1)[C@H](O)C(=O)[O-] ZINC001224861274 979587587 /nfs/dbraw/zinc/58/75/87/979587587.db2.gz VPQCNMNAMCNBIG-JQWIXIFHSA-N -1 0 317.338 -0.058 20 0 DBADRM CC(=O)Nc1nc2[nH]cnc2c(OC(=O)[C@@H](O)CC(=O)[O-])n1 ZINC001225829828 979608173 /nfs/dbraw/zinc/60/81/73/979608173.db2.gz OAPJLHOUMUBIRW-YFKPBYRVSA-N -1 0 309.238 -0.948 20 0 DBADRM CCOC(=O)C(F)(F)[C@@H](CC)Oc1c([O-])c(=O)c(=O)c1=O ZINC001225833033 979608230 /nfs/dbraw/zinc/60/82/30/979608230.db2.gz JXTJWPIVZVBKNG-RXMQYKEDSA-N -1 0 306.217 -0.296 20 0 DBADRM CCOC(=O)c1cnc(=O)[nH]c1OC(=O)[C@@H](O)CC(=O)[O-] ZINC001225898615 979611347 /nfs/dbraw/zinc/61/13/47/979611347.db2.gz CJEIFZVAWPMHAH-LURJTMIESA-N -1 0 300.223 -0.900 20 0 DBADRM Cc1ccnnc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001226639554 979637732 /nfs/dbraw/zinc/63/77/32/979637732.db2.gz QOGJBLYFKHWLSY-NSHDSACASA-N -1 0 317.367 -0.248 20 0 DBADRM COC(=O)CN1C[C@H](Oc2nc3ncnc-3c(S)[n-]2)CC1=O ZINC001226786877 979648709 /nfs/dbraw/zinc/64/87/09/979648709.db2.gz SXINSXGQDQWYKD-ZCFIWIBFSA-N -1 0 323.334 -0.206 20 0 DBADRM COC(=O)CC(CC(=O)OC)Oc1[n-]c(=O)nc2nccnc21 ZINC001226989588 979651516 /nfs/dbraw/zinc/65/15/16/979651516.db2.gz MJGFIGSHJVHORZ-UHFFFAOYSA-N -1 0 322.277 -0.001 20 0 DBADRM COC[C@@H](OC)C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001229113240 979675875 /nfs/dbraw/zinc/67/58/75/979675875.db2.gz BWUPDKNIPNOZSJ-SNVBAGLBSA-N -1 0 313.358 -0.748 20 0 DBADRM COc1cc(/C=C\C(N)=O)ccc1OC(=O)[C@@H](O)CC(=O)[O-] ZINC001229489909 979677221 /nfs/dbraw/zinc/67/72/21/979677221.db2.gz FEMKIDDLFDUHNT-LVCFMKKZSA-N -1 0 309.274 -0.065 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001595159822 979679366 /nfs/dbraw/zinc/67/93/66/979679366.db2.gz NTUCUZDRYPGHLL-NXEZZACHSA-N -1 0 321.337 -0.240 20 0 DBADRM CC[C@@H](CNC(=O)c1nonc1C)Nc1ccnc(C(=O)[O-])n1 ZINC001595162997 979692180 /nfs/dbraw/zinc/69/21/80/979692180.db2.gz CARCVSHUIPDEGN-QMMMGPOBSA-N -1 0 320.309 -0.091 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nnc1C)Nc1ccnc(C(=O)[O-])n1 ZINC001595163823 979702738 /nfs/dbraw/zinc/70/27/38/979702738.db2.gz XRXHDEYMORDALR-MRVPVSSYSA-N -1 0 319.325 -0.356 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001325279366 979709701 /nfs/dbraw/zinc/70/97/01/979709701.db2.gz OGEFYPBQZOJXGA-IJLUTSLNSA-N -1 0 316.354 -0.619 20 0 DBADRM CC(C)=CC(=O)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001325817314 979715678 /nfs/dbraw/zinc/71/56/78/979715678.db2.gz GUWMCIHYVOTGTO-AWEZNQCLSA-N -1 0 309.370 -0.080 20 0 DBADRM O=C([O-])/C=C/CNS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001326460854 979736353 /nfs/dbraw/zinc/73/63/53/979736353.db2.gz BAYLFZODXDBVPD-PWTMJPFMSA-N -1 0 311.381 -0.629 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cc(F)ccc1F ZINC001326620661 979747797 /nfs/dbraw/zinc/74/77/97/979747797.db2.gz VWMHAEZMNLTOKH-UHFFFAOYSA-N -1 0 315.276 -0.235 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001327210461 979797730 /nfs/dbraw/zinc/79/77/30/979797730.db2.gz IAGNJEHGELRVCP-VIFPVBQESA-N -1 0 317.411 -0.087 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC001330390065 979819735 /nfs/dbraw/zinc/81/97/35/979819735.db2.gz RUAHOSKSMQSINL-UHFFFAOYSA-N -1 0 323.349 -0.024 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)C(=O)[N-]OCc1ccccc1 ZINC001330855827 979841208 /nfs/dbraw/zinc/84/12/08/979841208.db2.gz GTUDRYVKDQDSMI-CYBMUJFWSA-N -1 0 307.350 -0.319 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCOC[C@@H]1CC(C)C ZINC001331056159 979852866 /nfs/dbraw/zinc/85/28/66/979852866.db2.gz PWFGCWUGGINJSE-NSHDSACASA-N -1 0 315.370 -0.556 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc3n[nH]nc3n2)C1=O ZINC001331171776 979864284 /nfs/dbraw/zinc/86/42/84/979864284.db2.gz ZICYPYPYQOLMCQ-LBPRGKRZSA-N -1 0 303.282 -0.282 20 0 DBADRM CCN1C(=S)N=NC1CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001343012123 979915846 /nfs/dbraw/zinc/91/58/46/979915846.db2.gz LADHNVIBKPFCBM-UHFFFAOYSA-N -1 0 315.384 -0.181 20 0 DBADRM C[C@@]1(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1(F)F ZINC001343115308 979920987 /nfs/dbraw/zinc/92/09/87/979920987.db2.gz AUXACFLMCSMIAB-NSHDSACASA-N -1 0 305.281 -0.030 20 0 DBADRM O=C([N-]CCOCCOC(=O)[C@@H]1COC(=O)N1)C(F)(F)F ZINC001344064470 979974299 /nfs/dbraw/zinc/97/42/99/979974299.db2.gz SYBLILOEYUTTPZ-LURJTMIESA-N -1 0 314.216 -0.667 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC(OC2CCC2)CC1 ZINC001344756029 980006240 /nfs/dbraw/zinc/00/62/40/980006240.db2.gz LMPDMTCFNHKLNZ-UHFFFAOYSA-N -1 0 310.358 -0.111 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCC2(C1)CCOCC2 ZINC001344828260 980014167 /nfs/dbraw/zinc/01/41/67/980014167.db2.gz YANMLUAPAZSFOE-UHFFFAOYSA-N -1 0 310.358 -0.252 20 0 DBADRM Cn1ncc2cc(S(=O)(=O)NCCOCC(=O)[O-])cnc21 ZINC001345767186 980079998 /nfs/dbraw/zinc/07/99/98/980079998.db2.gz JFCLSNREQAJZCL-UHFFFAOYSA-N -1 0 314.323 -0.652 20 0 DBADRM CC(=O)N[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1 ZINC001529982103 1014629077 /nfs/dbraw/zinc/62/90/77/1014629077.db2.gz DLVJZESTBSVSRX-NSHDSACASA-N -1 0 319.321 -0.317 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001345932181 980102358 /nfs/dbraw/zinc/10/23/58/980102358.db2.gz UDSLACXUUUQVGE-RYUDHWBXSA-N -1 0 311.382 -0.138 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC2(CCN(C)C2=O)CC1 ZINC001346184165 980117211 /nfs/dbraw/zinc/11/72/11/980117211.db2.gz XNQNGPVINLNRRK-UHFFFAOYSA-N -1 0 312.370 -0.292 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1COc2ccccc2C1 ZINC001346351613 980134595 /nfs/dbraw/zinc/13/45/95/980134595.db2.gz HLGPSWRYSFVYQA-NSHDSACASA-N -1 0 321.333 -0.710 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCN1CCOCC1(C)C)C(=O)[O-] ZINC001346513535 980147680 /nfs/dbraw/zinc/14/76/80/980147680.db2.gz CSVVMFQZBBWCHD-JTQLQIEISA-N -1 0 315.370 -0.950 20 0 DBADRM CC(C)Oc1ccccc1NC(=O)C(=O)NN1CC(=O)NC1=O ZINC001346542440 980151855 /nfs/dbraw/zinc/15/18/55/980151855.db2.gz CBHAQHPLDDZGGL-UHFFFAOYSA-N -1 0 320.305 -0.005 20 0 DBADRM CCS(=O)(=O)CCCNC(=O)C[C@]1(C(=O)[O-])CCOC1 ZINC001346626419 980160796 /nfs/dbraw/zinc/16/07/96/980160796.db2.gz YFQDTQLTHZQCDF-GFCCVEGCSA-N -1 0 307.368 -0.191 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cnc3c(cnn3C)c2)nn1 ZINC001346982142 980185510 /nfs/dbraw/zinc/18/55/10/980185510.db2.gz QIKBRHSUXZXOEF-UHFFFAOYSA-N -1 0 321.322 -0.785 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1=O ZINC001347627644 980237011 /nfs/dbraw/zinc/23/70/11/980237011.db2.gz FSZVVTKSHLKSNV-XLKFXECMSA-N -1 0 321.337 -0.424 20 0 DBADRM CC1N=NC(=S)N1CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001347977636 980254684 /nfs/dbraw/zinc/25/46/84/980254684.db2.gz ITXLBICSVNCBPH-UHFFFAOYSA-N -1 0 319.350 -0.359 20 0 DBADRM CCCC(=O)NCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001348333647 980285103 /nfs/dbraw/zinc/28/51/03/980285103.db2.gz OYJKMFDWOVOQRT-UHFFFAOYSA-N -1 0 306.326 -0.896 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001595279554 980321010 /nfs/dbraw/zinc/32/10/10/980321010.db2.gz SBZPVDFTEBMNMD-QWRGUYRKSA-N -1 0 315.370 -0.367 20 0 DBADRM CN1CCC(O[N-]C(=O)C2(CS(C)(=O)=O)COC2)CC1 ZINC001348611862 980330811 /nfs/dbraw/zinc/33/08/11/980330811.db2.gz LPPALZFJUKYBPJ-UHFFFAOYSA-N -1 0 306.384 -0.810 20 0 DBADRM CCN(C(=O)[C@H]1C[C@@H]1C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001488934936 1014645406 /nfs/dbraw/zinc/64/54/06/1014645406.db2.gz YGHJEPHNQJJHAG-YIZRAAEISA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@@H](C)[C@H]2CCC(=O)N2)c1[O-] ZINC001348788785 980361739 /nfs/dbraw/zinc/36/17/39/980361739.db2.gz NOJSYQFMCARGNA-IONNQARKSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)Cc2cncs2)c1[O-] ZINC001348789673 980362858 /nfs/dbraw/zinc/36/28/58/980362858.db2.gz VEPQBFVYTYBEQM-UHFFFAOYSA-N -1 0 309.351 -0.031 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H](F)C2)CCO1 ZINC001349355539 980458477 /nfs/dbraw/zinc/45/84/77/980458477.db2.gz NSOVTNPURMGCQX-IVZWLZJFSA-N -1 0 302.302 -0.305 20 0 DBADRM C[C@H]1CCC[C@@H](C(=O)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001349408282 980464960 /nfs/dbraw/zinc/46/49/60/980464960.db2.gz WBLLFYDVOPWLMS-DTWKUNHWSA-N -1 0 323.353 -0.045 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)C(=O)OC ZINC001595310129 980466000 /nfs/dbraw/zinc/46/60/00/980466000.db2.gz BDLUMAKLPXTGPD-MRVPVSSYSA-N -1 0 304.324 -0.047 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H]2CSC[C@H]2C1 ZINC001349429666 980468018 /nfs/dbraw/zinc/46/80/18/980468018.db2.gz ZABKSAYNWQLDFV-VHSXEESVSA-N -1 0 315.395 -0.618 20 0 DBADRM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)C(=O)[N-]OCCSC)C2 ZINC001349513937 980480820 /nfs/dbraw/zinc/48/08/20/980480820.db2.gz FDGBVQFDBCWUEI-ZDMBXUJBSA-N -1 0 316.379 -0.145 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NCCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001349660704 980495272 /nfs/dbraw/zinc/49/52/72/980495272.db2.gz RNHAGFKRILRCFU-MRVPVSSYSA-N -1 0 311.342 -0.816 20 0 DBADRM O=C([O-])c1cccc(N2C(=O)C[C@@H](N3C[C@@H](O)[C@@H](O)C3)C2=O)c1 ZINC001349675551 980496963 /nfs/dbraw/zinc/49/69/63/980496963.db2.gz WYLYMOTZSWQUNX-UTUOFQBUSA-N -1 0 320.301 -0.946 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1nc(C)cs1 ZINC001349680835 980498102 /nfs/dbraw/zinc/49/81/02/980498102.db2.gz GZWTYUWRUGJDHG-UHFFFAOYSA-N -1 0 300.340 -0.748 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001349753036 980504704 /nfs/dbraw/zinc/50/47/04/980504704.db2.gz JVBCJKQQRRNDBB-MNOVXSKESA-N -1 0 314.386 -0.889 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)CCOc1ccccc1 ZINC001349752080 980504912 /nfs/dbraw/zinc/50/49/12/980504912.db2.gz AYFSCCZEEKSWSC-UHFFFAOYSA-N -1 0 323.349 -0.292 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](CC)OC[C@H]1C ZINC001349756101 980505876 /nfs/dbraw/zinc/50/58/76/980505876.db2.gz XBLIILOUGUWUCO-NXEZZACHSA-N -1 0 301.343 -0.804 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001349753528 980506080 /nfs/dbraw/zinc/50/60/80/980506080.db2.gz LMCTUFVDBGGBSR-MNOVXSKESA-N -1 0 313.354 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(OC(C)C)CC1 ZINC001349756836 980506256 /nfs/dbraw/zinc/50/62/56/980506256.db2.gz YGJLALPDTBIJLC-UHFFFAOYSA-N -1 0 315.370 -0.414 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)NCc2ncccn2)C1 ZINC001349803018 980511464 /nfs/dbraw/zinc/51/14/64/980511464.db2.gz MXEWEEFTHFSXKL-JTQLQIEISA-N -1 0 306.322 -0.194 20 0 DBADRM C[C@@H](CNC(=O)NC1CCC2(CC1)NC(=O)NC2=O)C(=O)[O-] ZINC001349840136 980516704 /nfs/dbraw/zinc/51/67/04/980516704.db2.gz OGVPMHNMXWBSSU-DWHFKYGWSA-N -1 0 312.326 -0.473 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001349957995 980526808 /nfs/dbraw/zinc/52/68/08/980526808.db2.gz GOOKAMZADCBRPQ-KKOKHZNYSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC001349957994 980527557 /nfs/dbraw/zinc/52/75/57/980527557.db2.gz GOOKAMZADCBRPQ-FIQHERPVSA-N -1 0 310.350 -0.149 20 0 DBADRM CCN1C[C@H](C)N(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[C@H]1C ZINC001349972807 980528280 /nfs/dbraw/zinc/52/82/80/980528280.db2.gz XHVJGZXPPWPCSR-WRWGMCAJSA-N -1 0 311.382 -0.093 20 0 DBADRM C[C@]1(C(F)F)CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCO1 ZINC001349972442 980528940 /nfs/dbraw/zinc/52/89/40/980528940.db2.gz VIXJVZIUXJYHND-OTPXZMOZSA-N -1 0 320.292 -0.152 20 0 DBADRM CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001350489843 980575942 /nfs/dbraw/zinc/57/59/42/980575942.db2.gz WLSIJMJTVWCCEU-SECBINFHSA-N -1 0 323.353 -0.719 20 0 DBADRM O=C(NCc1nc(CNCCF)cc(=O)[nH]1)[C@H]1COCCO1 ZINC001489070836 1014669770 /nfs/dbraw/zinc/66/97/70/1014669770.db2.gz MDXQMMURPZSYQU-SNVBAGLBSA-N -1 0 314.317 -0.727 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[C@]1(C)CC1(F)F ZINC001350877401 980609854 /nfs/dbraw/zinc/60/98/54/980609854.db2.gz DIOFCDCNKGMXIT-LLVKDONJSA-N -1 0 307.297 -0.278 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2c(F)cccc2C1 ZINC001351645431 980678560 /nfs/dbraw/zinc/67/85/60/980678560.db2.gz JABFAEAFVAJZNF-UHFFFAOYSA-N -1 0 309.297 -0.496 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)CCOc1cccc(C)c1 ZINC001351643335 980678943 /nfs/dbraw/zinc/67/89/43/980678943.db2.gz OOJAKMIMIRWJFG-UHFFFAOYSA-N -1 0 323.349 -0.374 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCSC2(CCC2)C1 ZINC001351645099 980679070 /nfs/dbraw/zinc/67/90/70/980679070.db2.gz HCCPCWFWQDSUQU-SECBINFHSA-N -1 0 315.395 -0.285 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N(C)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001351760668 980687727 /nfs/dbraw/zinc/68/77/27/980687727.db2.gz GAEPDERYAAXIQA-SFYZADRCSA-N -1 0 309.326 -0.483 20 0 DBADRM CCN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1CC1 ZINC001352269187 980717385 /nfs/dbraw/zinc/71/73/85/980717385.db2.gz KFYFTJSHUYTHES-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](C)c1ccncc1 ZINC001352346884 980722514 /nfs/dbraw/zinc/72/25/14/980722514.db2.gz KSWUNYUEQDOSSU-SNVBAGLBSA-N -1 0 308.338 -0.515 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCN(C2CC2)CC1 ZINC001353139103 980782020 /nfs/dbraw/zinc/78/20/20/980782020.db2.gz OWXGKSUOVDHDCV-UHFFFAOYSA-N -1 0 315.370 -0.406 20 0 DBADRM C[C@@H]1CN(C(=O)NCCOCCOCC(=O)[O-])[C@@H](C)CO1 ZINC001353138752 980782252 /nfs/dbraw/zinc/78/22/52/980782252.db2.gz JTTUXHQAXZDXHW-WDEREUQCSA-N -1 0 304.343 -0.077 20 0 DBADRM CC(C)=CC(=O)N[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001353155822 980785127 /nfs/dbraw/zinc/78/51/27/980785127.db2.gz RUCBVPRHYFHRAL-VIFPVBQESA-N -1 0 321.337 -0.126 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCO[C@@H](C2CCC2)C1 ZINC001353215632 980791607 /nfs/dbraw/zinc/79/16/07/980791607.db2.gz HQIOFAZAXUGKLH-GRYCIOLGSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001353438620 980803659 /nfs/dbraw/zinc/80/36/59/980803659.db2.gz UYGYPHKKXSEKJP-NWDGAFQWSA-N -1 0 307.350 -0.046 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC001354594150 980861337 /nfs/dbraw/zinc/86/13/37/980861337.db2.gz BYIDYQDEJXDNHL-UHFFFAOYSA-N -1 0 306.322 -0.589 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C ZINC001354967281 980880983 /nfs/dbraw/zinc/88/09/83/980880983.db2.gz KITWYBOWLTZSHY-JTQLQIEISA-N -1 0 305.334 -0.074 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccc(OC)cc1 ZINC001354961239 980881151 /nfs/dbraw/zinc/88/11/51/980881151.db2.gz IDZIHZMYXWJLRF-UHFFFAOYSA-N -1 0 309.322 -0.553 20 0 DBADRM CNC(=O)CC(=O)N[C@H](C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001355122678 980887226 /nfs/dbraw/zinc/88/72/26/980887226.db2.gz WFNAQRPXYLNXFD-SSDOTTSWSA-N -1 0 311.342 -0.816 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)/C=C/C1CC1 ZINC001355226563 980889368 /nfs/dbraw/zinc/88/93/68/980889368.db2.gz JPSJAJHMZQBDAJ-WTSVBCDHSA-N -1 0 321.337 -0.126 20 0 DBADRM CN(CCNC(=O)[C@]1(C)C=CCC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001355828236 980912685 /nfs/dbraw/zinc/91/26/85/980912685.db2.gz ZHJQBZQIPOXPLF-CQSZACIVSA-N -1 0 321.337 -0.173 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC001355895530 980917560 /nfs/dbraw/zinc/91/75/60/980917560.db2.gz HSISLJYPOJUOGG-WRWORJQWSA-N -1 0 320.300 -0.400 20 0 DBADRM CCCCC(=O)NC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001357582215 981071526 /nfs/dbraw/zinc/07/15/26/981071526.db2.gz BSWRPIWDKLXORX-PLNGDYQASA-N -1 0 311.342 -0.332 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2csnn2)c1[O-] ZINC001357731572 981087005 /nfs/dbraw/zinc/08/70/05/981087005.db2.gz KTWIPUKZXNWAHN-NSCUHMNNSA-N -1 0 322.350 -0.009 20 0 DBADRM CC/C(C)=C/C(=O)NC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001357794029 981092429 /nfs/dbraw/zinc/09/24/29/981092429.db2.gz RVWQAHPJTZYKTI-SYOZQWSFSA-N -1 0 323.353 -0.166 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)N[C@H]3CNOC3)cc2[n-]c1=S ZINC001358283222 981122955 /nfs/dbraw/zinc/12/29/55/981122955.db2.gz CBAVTWNQKVUHQB-QMMMGPOBSA-N -1 0 306.347 -0.145 20 0 DBADRM CCOCCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CCOC ZINC001358361432 981125444 /nfs/dbraw/zinc/12/54/44/981125444.db2.gz AAPXDQPPXNNXGP-UHFFFAOYSA-N -1 0 310.358 -0.379 20 0 DBADRM CCNC(=O)CC(=O)NCC1(NC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001358657554 981164525 /nfs/dbraw/zinc/16/45/25/981164525.db2.gz NLKJRTDSBZXUNY-UHFFFAOYSA-N -1 0 323.353 -0.671 20 0 DBADRM CCn1[nH]c(C)nc1=NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001361410981 981227044 /nfs/dbraw/zinc/22/70/44/981227044.db2.gz MXKRQMHKZJSFET-UHFFFAOYSA-N -1 0 302.298 -0.948 20 0 DBADRM Cn1ccnc(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)c1=O ZINC001361517693 981247418 /nfs/dbraw/zinc/24/74/18/981247418.db2.gz YKTAGUCSTJJHQI-UHFFFAOYSA-N -1 0 323.334 -0.201 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@@H](n2cncn2)C1 ZINC001361519616 981249082 /nfs/dbraw/zinc/24/90/82/981249082.db2.gz QGGDXMSCFMPVFJ-SECBINFHSA-N -1 0 314.309 -0.864 20 0 DBADRM CN(Cc1ccn(C)n1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001361569938 981261798 /nfs/dbraw/zinc/26/17/98/981261798.db2.gz JNUSNNOURODJLM-UHFFFAOYSA-N -1 0 301.310 -0.537 20 0 DBADRM Cc1cc(=O)n2nc(NC(=O)[C@]3(C)CCNC(=O)C3)[n-]c2n1 ZINC001361583565 981264893 /nfs/dbraw/zinc/26/48/93/981264893.db2.gz HQWGGTBFWNLSCW-CYBMUJFWSA-N -1 0 304.310 -0.419 20 0 DBADRM CO[C@@H]1COCC[C@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001361581780 981265337 /nfs/dbraw/zinc/26/53/37/981265337.db2.gz LXZCFTFSWNZUHQ-GXSJLCMTSA-N -1 0 321.337 -0.761 20 0 DBADRM CC(=O)N1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1 ZINC001361588076 981267771 /nfs/dbraw/zinc/26/77/71/981267771.db2.gz HHEZDQDAABVSDW-UHFFFAOYSA-N -1 0 315.337 -0.621 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1cc2c(cn1)OCCC2 ZINC001361635452 981282691 /nfs/dbraw/zinc/28/26/91/981282691.db2.gz FIHCLBPWKRRCET-UHFFFAOYSA-N -1 0 304.310 -0.286 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CCO[C@H]1C1CC1 ZINC001361646115 981286679 /nfs/dbraw/zinc/28/66/79/981286679.db2.gz MIMDTLOKUHBGOR-PWSUYJOCSA-N -1 0 303.322 -0.245 20 0 DBADRM CO[C@@]1(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCSC1 ZINC001361670787 981294911 /nfs/dbraw/zinc/29/49/11/981294911.db2.gz DJMZJNTVRQXPRY-CYBMUJFWSA-N -1 0 323.378 -0.291 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC001361695503 981298745 /nfs/dbraw/zinc/29/87/45/981298745.db2.gz YCNAURNINANNLR-LURJTMIESA-N -1 0 309.248 -0.558 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N=S1(=O)CCOCC1 ZINC001361709590 981302799 /nfs/dbraw/zinc/30/27/99/981302799.db2.gz WUVPUZFSZDZTRB-UHFFFAOYSA-N -1 0 311.323 -0.904 20 0 DBADRM CCN1CC[C@@H]1CNC(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001596415712 1017139969 /nfs/dbraw/zinc/13/99/69/1017139969.db2.gz UEGKQGQSQWEHRI-GFCCVEGCSA-N -1 0 311.382 -0.090 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001361756259 981313520 /nfs/dbraw/zinc/31/35/20/981313520.db2.gz AIIQZYFVDOHAJN-VIFPVBQESA-N -1 0 307.262 -0.706 20 0 DBADRM CN(Cc1nnc2n1CCCCC2)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001361758438 981315087 /nfs/dbraw/zinc/31/50/87/981315087.db2.gz OCXUKZITAFOKJF-UHFFFAOYSA-N -1 0 321.341 -0.334 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCO1 ZINC001361763599 981315918 /nfs/dbraw/zinc/31/59/18/981315918.db2.gz BFZQMTFPTPXNKC-LURJTMIESA-N -1 0 302.312 -0.997 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001361767063 981316798 /nfs/dbraw/zinc/31/67/98/981316798.db2.gz TVAMOBCMKMFHCZ-UHFFFAOYSA-N -1 0 317.371 -0.834 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)CCO1 ZINC001361770418 981318833 /nfs/dbraw/zinc/31/88/33/981318833.db2.gz UUMSVONTABHXCX-VIFPVBQESA-N -1 0 306.278 -0.963 20 0 DBADRM O=C([C@H]1CCCC12OCCO2)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001361783020 981321808 /nfs/dbraw/zinc/32/18/08/981321808.db2.gz JXXPAPOPNPJHGJ-NXEZZACHSA-N -1 0 309.326 -0.357 20 0 DBADRM Cc1ccn(C[C@H](C)C(=O)N2CCO[C@H](c3nnn[n-]3)C2)n1 ZINC001361782595 981322108 /nfs/dbraw/zinc/32/21/08/981322108.db2.gz IJYYDSRQPNLXBP-ONGXEEELSA-N -1 0 305.342 -0.059 20 0 DBADRM CC(=O)Nc1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)nc1 ZINC001361785138 981323062 /nfs/dbraw/zinc/32/30/62/981323062.db2.gz ROMMOMIEILSDRM-LLVKDONJSA-N -1 0 317.309 -0.233 20 0 DBADRM O=C(c1cnc(C2CC2)[nH]c1=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001361786187 981323080 /nfs/dbraw/zinc/32/30/80/981323080.db2.gz VKVSGCJPJMFCHO-VIFPVBQESA-N -1 0 317.309 -0.214 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cnc2nccn2c1 ZINC001361823312 981334072 /nfs/dbraw/zinc/33/40/72/981334072.db2.gz LCZNQLNQSSCBBX-UHFFFAOYSA-N -1 0 310.277 -0.247 20 0 DBADRM COC1(C(=O)Nc2n[nH]c(-c3ccccn3)n2)CS(=O)(=O)C1 ZINC001361841941 981339251 /nfs/dbraw/zinc/33/92/51/981339251.db2.gz IZWBNZJXSGLCMD-UHFFFAOYSA-N -1 0 323.334 -0.381 20 0 DBADRM COCCN(CC(=O)OC)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001361843933 981339873 /nfs/dbraw/zinc/33/98/73/981339873.db2.gz KRGAPYDVEAIZGE-UHFFFAOYSA-N -1 0 316.314 -0.883 20 0 DBADRM NC(=O)c1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cs1 ZINC001361849910 981340732 /nfs/dbraw/zinc/34/07/32/981340732.db2.gz NTBBKPMFCRUCMS-UHFFFAOYSA-N -1 0 318.318 -0.130 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)NCC(F)(F)F ZINC001361883524 981349177 /nfs/dbraw/zinc/34/91/77/981349177.db2.gz FKRCHJPUWGZXJX-GSVOUGTGSA-N -1 0 309.204 -0.920 20 0 DBADRM CCCN(C(=O)CCc1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC001361888786 981350337 /nfs/dbraw/zinc/35/03/37/981350337.db2.gz PYDQYEUEUIAXDL-VIFPVBQESA-N -1 0 301.372 -0.442 20 0 DBADRM CC(C)(C)OC(=O)NC1(CC(=O)NCc2nnn[n-]2)COC1 ZINC001361915313 981357951 /nfs/dbraw/zinc/35/79/51/981357951.db2.gz OUXAZTDMMORKHQ-UHFFFAOYSA-N -1 0 312.330 -0.500 20 0 DBADRM C[C@H](O)c1ncc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)s1 ZINC001361920779 981360627 /nfs/dbraw/zinc/36/06/27/981360627.db2.gz AZJPPIAZIJCULN-NKWVEPMBSA-N -1 0 310.339 -0.077 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)N1CCCC[C@H]1C ZINC001361925344 981362858 /nfs/dbraw/zinc/36/28/58/981362858.db2.gz KMOHKTBZUXLJPT-BDAKNGLRSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001361945485 981369142 /nfs/dbraw/zinc/36/91/42/981369142.db2.gz WYMPINYZSOPOSH-VIFPVBQESA-N -1 0 313.383 -0.023 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(c2ccc(O)cc2)CC1 ZINC001362017143 981387177 /nfs/dbraw/zinc/38/71/77/981387177.db2.gz RWNHYDBWOZESRU-UHFFFAOYSA-N -1 0 319.321 -0.256 20 0 DBADRM CNC(=O)CN(C)C(=O)c1nc[n-]c(=O)c1Br ZINC001362015873 981387578 /nfs/dbraw/zinc/38/75/78/981387578.db2.gz ABFHEGJBVBPMAP-UHFFFAOYSA-N -1 0 303.116 -0.237 20 0 DBADRM COC(=O)[C@](C)(NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1 ZINC001362030127 981391530 /nfs/dbraw/zinc/39/15/30/981391530.db2.gz JWZGNZNBTJDGQB-CQSZACIVSA-N -1 0 320.305 -0.106 20 0 DBADRM O=C(CCc1nnn[n-]1)NCc1cccnc1N1CCOCC1 ZINC001362043937 981397422 /nfs/dbraw/zinc/39/74/22/981397422.db2.gz DSUYQLTYBKQEAK-UHFFFAOYSA-N -1 0 317.353 -0.320 20 0 DBADRM NC(=O)[C@H]1Cc2ccccc2N(C(=O)CCc2nnn[n-]2)C1 ZINC001362045814 981398308 /nfs/dbraw/zinc/39/83/08/981398308.db2.gz HDBRGNCCQVOIFO-JTQLQIEISA-N -1 0 300.322 -0.177 20 0 DBADRM CC(C)[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N1CCOCC1 ZINC001362049298 981398378 /nfs/dbraw/zinc/39/83/78/981398378.db2.gz RLBYTTOAFQQSNC-JTQLQIEISA-N -1 0 313.358 -0.838 20 0 DBADRM CC(C)[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N1CCOCC1 ZINC001362049307 981399080 /nfs/dbraw/zinc/39/90/80/981399080.db2.gz RLBYTTOAFQQSNC-SNVBAGLBSA-N -1 0 313.358 -0.838 20 0 DBADRM CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362074075 981409436 /nfs/dbraw/zinc/40/94/36/981409436.db2.gz LZAHPNLNKDDLGQ-SECBINFHSA-N -1 0 317.353 -0.471 20 0 DBADRM COCCN(C(=O)c1c[n-]ncc1=O)[C@H]1CCS(=O)(=O)C1 ZINC001362070141 981409878 /nfs/dbraw/zinc/40/98/78/981409878.db2.gz AQGVBOZECAGENZ-VIFPVBQESA-N -1 0 315.351 -0.542 20 0 DBADRM COCCN(C(=O)c1c[n-]ncc1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001362070135 981410009 /nfs/dbraw/zinc/41/00/09/981410009.db2.gz AQGVBOZECAGENZ-SECBINFHSA-N -1 0 315.351 -0.542 20 0 DBADRM O=C(NC[C@@H]1CCS(=O)(=O)C1)c1c[n-]n2c1nccc2=O ZINC001362076319 981411468 /nfs/dbraw/zinc/41/14/68/981411468.db2.gz WFKLEVYQHDRGLL-QMMMGPOBSA-N -1 0 310.335 -0.813 20 0 DBADRM C[C@H](CCNC(=O)CCCn1c(=O)[n-][nH]c1=O)[S@](C)=O ZINC001362086090 981413748 /nfs/dbraw/zinc/41/37/48/981413748.db2.gz XRRLYAWKDDZGRE-SQFXPLBJSA-N -1 0 304.372 -0.257 20 0 DBADRM C[C@H](Cc1cnn(C)c1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362087724 981415641 /nfs/dbraw/zinc/41/56/41/981415641.db2.gz FXPLFYJMVLOWDG-KOLCDFICSA-N -1 0 305.342 -0.288 20 0 DBADRM O=C(c1noc2c1COCC2)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362092950 981416346 /nfs/dbraw/zinc/41/63/46/981416346.db2.gz XIZNOZDLGRUCGM-SECBINFHSA-N -1 0 306.282 -0.526 20 0 DBADRM O=C(c1cc2n(n1)CCCC2=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362093829 981416582 /nfs/dbraw/zinc/41/65/82/981416582.db2.gz ZZRVHTISAYOTSZ-NSHDSACASA-N -1 0 317.309 -0.414 20 0 DBADRM O=C(NC[C@@H](O)COc1ccc(F)cc1)c1n[nH]c(=O)[n-]c1=O ZINC001362104067 981421442 /nfs/dbraw/zinc/42/14/42/981421442.db2.gz BMCNELUZQUPCPP-MRVPVSSYSA-N -1 0 324.268 -0.408 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCS(=O)(=O)CC1CC1 ZINC001362103084 981421776 /nfs/dbraw/zinc/42/17/76/981421776.db2.gz NUAAFZHOUQAAJN-UHFFFAOYSA-N -1 0 320.396 -0.457 20 0 DBADRM O=C(CCC(F)F)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001530542621 1014733596 /nfs/dbraw/zinc/73/35/96/1014733596.db2.gz DIJMFNZZOFJVQK-UHFFFAOYSA-N -1 0 317.252 -0.731 20 0 DBADRM CC(=O)N[C@@](C)(C(=O)N1CCO[C@H](c2nnn[n-]2)C1)C(C)C ZINC001362122419 981428706 /nfs/dbraw/zinc/42/87/06/981428706.db2.gz GNCWNFDWZHBBTM-GXFFZTMASA-N -1 0 310.358 -0.350 20 0 DBADRM CN(C)C(=O)CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362122364 981429474 /nfs/dbraw/zinc/42/94/74/981429474.db2.gz AVMPXHXTWVJQAQ-UHFFFAOYSA-N -1 0 303.326 -0.717 20 0 DBADRM O=C(c1cnc2n1CCOC2)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362124765 981429480 /nfs/dbraw/zinc/42/94/80/981429480.db2.gz OHHAVLDLNBYIII-VIFPVBQESA-N -1 0 305.298 -0.860 20 0 DBADRM O=C(Cc1nnc(C2CC2)[nH]1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362127102 981430503 /nfs/dbraw/zinc/43/05/03/981430503.db2.gz VIXBMBHOAWBVQE-QMMMGPOBSA-N -1 0 304.314 -0.662 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@H]2CCN(C(N)=O)C2)cc1=O ZINC001362132870 981434402 /nfs/dbraw/zinc/43/44/02/981434402.db2.gz DXAJPHFXCKMKQN-JTQLQIEISA-N -1 0 309.370 -0.356 20 0 DBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)CCNC(=O)CO ZINC001362144021 981437608 /nfs/dbraw/zinc/43/76/08/981437608.db2.gz PTUGXARXBJARIV-UHFFFAOYSA-N -1 0 321.337 -0.833 20 0 DBADRM CCN(C(=O)CCc1nnn[n-]1)[C@H](C)CS(=O)(=O)CC ZINC001362154009 981440625 /nfs/dbraw/zinc/44/06/25/981440625.db2.gz JHPNMTFMTSYIEE-SECBINFHSA-N -1 0 303.388 -0.196 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCC(OCCO)CC1 ZINC001362158167 981441638 /nfs/dbraw/zinc/44/16/38/981441638.db2.gz YLSVQINBCZOUBZ-UHFFFAOYSA-N -1 0 321.337 -0.929 20 0 DBADRM CC(C)(CCS(C)(=O)=O)NC(=O)CCCc1nnn[n-]1 ZINC001362188804 981452885 /nfs/dbraw/zinc/45/28/85/981452885.db2.gz NFFFEQCHHGVSKU-UHFFFAOYSA-N -1 0 303.388 -0.148 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001362190322 981454601 /nfs/dbraw/zinc/45/46/01/981454601.db2.gz ZQGXQZIYNSYQSC-BDAKNGLRSA-N -1 0 324.362 -0.330 20 0 DBADRM Cc1c(Br)cnn1CC(=O)NCc1nc(=O)o[n-]1 ZINC001362197610 981456058 /nfs/dbraw/zinc/45/60/58/981456058.db2.gz GBPAJRFLPYQJDK-UHFFFAOYSA-N -1 0 316.115 -0.053 20 0 DBADRM COC[C@@H](CCO)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362198272 981457497 /nfs/dbraw/zinc/45/74/97/981457497.db2.gz LHBHYDIGHMDJFP-SNVBAGLBSA-N -1 0 306.326 -0.798 20 0 DBADRM CC(=O)c1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)nc1C ZINC001362221577 981466585 /nfs/dbraw/zinc/46/65/85/981466585.db2.gz IALQDEAFGOUPHM-UHFFFAOYSA-N -1 0 305.294 -0.088 20 0 DBADRM CS(=O)(=O)CCN(C(=O)CSc1n[nH]c(=O)[n-]1)C1CC1 ZINC001362222098 981467156 /nfs/dbraw/zinc/46/71/56/981467156.db2.gz JYFCPMACBWCOIP-UHFFFAOYSA-N -1 0 320.396 -0.362 20 0 DBADRM CCN1CC[C@@H]1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001596414319 1017140378 /nfs/dbraw/zinc/14/03/78/1017140378.db2.gz CCCARUTUUDZNHM-DOMZBBRYSA-N -1 0 311.382 -0.532 20 0 DBADRM CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@@H]1CCNC1=O ZINC001362263904 981488324 /nfs/dbraw/zinc/48/83/24/981488324.db2.gz VISZTRJZTGQROB-SNVBAGLBSA-N -1 0 301.310 -0.965 20 0 DBADRM CN1C(=O)COc2ccc(C(=O)NCc3nc(=O)o[n-]3)cc21 ZINC001362267362 981490008 /nfs/dbraw/zinc/49/00/08/981490008.db2.gz INSSXRFXKWVZDA-UHFFFAOYSA-N -1 0 304.262 -0.352 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362281245 981494784 /nfs/dbraw/zinc/49/47/84/981494784.db2.gz NLRABSBCNQMZIB-MRVPVSSYSA-N -1 0 320.371 -0.591 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCOC[C@@H]1c1ncon1 ZINC001362281418 981496739 /nfs/dbraw/zinc/49/67/39/981496739.db2.gz AZPGTHXVVCDTRH-MRVPVSSYSA-N -1 0 324.297 -0.547 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362296022 981502476 /nfs/dbraw/zinc/50/24/76/981502476.db2.gz IRFQBZQGZKBLOS-UHFFFAOYSA-N -1 0 300.315 -0.073 20 0 DBADRM CC(C)COC1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001362300058 981503802 /nfs/dbraw/zinc/50/38/02/981503802.db2.gz KBLKAHQYWQXNQQ-UHFFFAOYSA-N -1 0 305.338 -0.045 20 0 DBADRM COCCn1cc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)nn1 ZINC001362312259 981509210 /nfs/dbraw/zinc/50/92/10/981509210.db2.gz NXRZDGAPAURBRI-SECBINFHSA-N -1 0 306.330 -0.543 20 0 DBADRM COC(=O)C1(NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1 ZINC001362313564 981509410 /nfs/dbraw/zinc/50/94/10/981509410.db2.gz ILAJIGZCNSWFDF-UHFFFAOYSA-N -1 0 318.289 -0.298 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCSC[C@@H]1CO ZINC001362315271 981510609 /nfs/dbraw/zinc/51/06/09/981510609.db2.gz WNUIDAOWLLVQLX-QMMMGPOBSA-N -1 0 302.356 -0.594 20 0 DBADRM C[C@@H](O)C[C@@H]1COCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362325446 981515513 /nfs/dbraw/zinc/51/55/13/981515513.db2.gz MQOMZJSPKIJYSM-NXEZZACHSA-N -1 0 314.342 -0.532 20 0 DBADRM C[C@H](CN(C)C(=O)C[C@H]1CCCS1(=O)=O)c1nnn[n-]1 ZINC001362327497 981515551 /nfs/dbraw/zinc/51/55/51/981515551.db2.gz RCDASTPJOWTELA-RKDXNWHRSA-N -1 0 301.372 -0.271 20 0 DBADRM Cc1nc(C)c(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)s1 ZINC001362332897 981517609 /nfs/dbraw/zinc/51/76/09/981517609.db2.gz JYGDCWWSWIMPBM-UHFFFAOYSA-N -1 0 319.408 -0.115 20 0 DBADRM COC1(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CCOCC1 ZINC001362332498 981518124 /nfs/dbraw/zinc/51/81/24/981518124.db2.gz NRSOPNUTJIFUDV-UHFFFAOYSA-N -1 0 314.342 -0.219 20 0 DBADRM CC1(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)OCCO1 ZINC001362332111 981518662 /nfs/dbraw/zinc/51/86/62/981518662.db2.gz JRCAGPVHUHNTOY-UHFFFAOYSA-N -1 0 304.310 -0.432 20 0 DBADRM Cc1cc(COCC(=O)NCCC(=O)[N-]S(C)(=O)=O)no1 ZINC001362337143 981519676 /nfs/dbraw/zinc/51/96/76/981519676.db2.gz SDOADZRCPUNGQK-UHFFFAOYSA-N -1 0 319.339 -0.918 20 0 DBADRM CNc1nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cs1 ZINC001362344791 981522652 /nfs/dbraw/zinc/52/26/52/981522652.db2.gz FIVJEKVFRCTBMR-UHFFFAOYSA-N -1 0 306.369 -0.620 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1c(F)cncc1F ZINC001362345526 981524166 /nfs/dbraw/zinc/52/41/66/981524166.db2.gz HGCQBOSKKGUEPM-UHFFFAOYSA-N -1 0 307.278 -0.445 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001362357838 981529877 /nfs/dbraw/zinc/52/98/77/981529877.db2.gz PQOYBXCQVOSSLJ-SNVBAGLBSA-N -1 0 321.293 -0.380 20 0 DBADRM C[C@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@H](CO)O1 ZINC001362361256 981530714 /nfs/dbraw/zinc/53/07/14/981530714.db2.gz GQQADGJMQLAUSI-JOYOIKCWSA-N -1 0 318.337 -0.703 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362368990 981533665 /nfs/dbraw/zinc/53/36/65/981533665.db2.gz QURYJZQZXVRTPT-QXEWZRGKSA-N -1 0 323.353 -0.418 20 0 DBADRM CO[C@H]1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CCO1 ZINC001362370281 981534347 /nfs/dbraw/zinc/53/43/47/981534347.db2.gz MEFIZYJFBIGKPJ-LLVKDONJSA-N -1 0 320.305 -0.289 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362376332 981537147 /nfs/dbraw/zinc/53/71/47/981537147.db2.gz TVMWLFRAGUQKDY-SECBINFHSA-N -1 0 315.337 -0.622 20 0 DBADRM CS(=O)(=O)[C@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001362383053 981540457 /nfs/dbraw/zinc/54/04/57/981540457.db2.gz RYFQXEVNFZWMGM-LURJTMIESA-N -1 0 306.369 -0.752 20 0 DBADRM NC(=O)CC1CN(C(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001362383070 981540798 /nfs/dbraw/zinc/54/07/98/981540798.db2.gz RZQQOQKVWGYXPP-UHFFFAOYSA-N -1 0 315.127 -0.108 20 0 DBADRM COC(=O)C[C@@H](C)CC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362384102 981541548 /nfs/dbraw/zinc/54/15/48/981541548.db2.gz CHNCNZVMRLDONO-VIFPVBQESA-N -1 0 311.342 -0.401 20 0 DBADRM Nc1nnc(CC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)s1 ZINC001362387018 981541939 /nfs/dbraw/zinc/54/19/39/981541939.db2.gz SUOMUXLIEITABZ-ZCFIWIBFSA-N -1 0 309.355 -0.107 20 0 DBADRM Cc1c(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)nnn1C(C)C ZINC001362384107 981542566 /nfs/dbraw/zinc/54/25/66/981542566.db2.gz CJYXMLXWJXOOGM-UHFFFAOYSA-N -1 0 320.357 -0.196 20 0 DBADRM COC(=O)CC1(NC(=O)CCCc2nnn[n-]2)CCOCC1 ZINC001362390359 981543468 /nfs/dbraw/zinc/54/34/68/981543468.db2.gz STSUMSMTYNRWON-UHFFFAOYSA-N -1 0 311.342 -0.249 20 0 DBADRM CN1CCC[C@H]1c1cc(C(=O)NCCc2nc(=O)o[n-]2)[nH]n1 ZINC001362400945 981550139 /nfs/dbraw/zinc/55/01/39/981550139.db2.gz KORCIRNAZDDDCO-JTQLQIEISA-N -1 0 306.326 -0.175 20 0 DBADRM CC1(C)[C@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@@H]1O ZINC001362406652 981553347 /nfs/dbraw/zinc/55/33/47/981553347.db2.gz JYCKMVCYVFMBKO-MNOVXSKESA-N -1 0 302.338 -0.036 20 0 DBADRM NC(=O)c1ncccc1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362409322 981554526 /nfs/dbraw/zinc/55/45/26/981554526.db2.gz WBWNJDJPDZVDOS-MRVPVSSYSA-N -1 0 301.310 -0.287 20 0 DBADRM CS(=O)(=O)C1CCC(C(=O)NCc2n[nH]c(=O)[n-]2)CC1 ZINC001362415226 981559214 /nfs/dbraw/zinc/55/92/14/981559214.db2.gz JKJYXVJYHIQQBJ-UHFFFAOYSA-N -1 0 302.356 -0.270 20 0 DBADRM Cn1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])n1 ZINC001362423621 981562110 /nfs/dbraw/zinc/56/21/10/981562110.db2.gz WLTVIFDZXYDVQA-UHFFFAOYSA-N -1 0 310.335 -0.297 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC001362433350 981568050 /nfs/dbraw/zinc/56/80/50/981568050.db2.gz DGPAKMDKTZHRQN-DTORHVGOSA-N -1 0 309.326 -0.791 20 0 DBADRM O=C([C@H]1CCc2n[nH]cc2C1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362438712 981571675 /nfs/dbraw/zinc/57/16/75/981571675.db2.gz UZDJOMCZDSIGGB-VIFPVBQESA-N -1 0 317.353 -0.462 20 0 DBADRM CC1(C)CN(C(=O)C2CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362446946 981575404 /nfs/dbraw/zinc/57/54/04/981575404.db2.gz HUDOTYYXMATMGP-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM CCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H](C)C(=O)OCC ZINC001362449832 981577120 /nfs/dbraw/zinc/57/71/20/981577120.db2.gz GBKYTQXPOKJIHR-QMMMGPOBSA-N -1 0 300.315 -0.121 20 0 DBADRM C[C@@H](CN(C)C(=O)CCC(=O)N1CCC(O)CC1)c1nnn[n-]1 ZINC001362455939 981580660 /nfs/dbraw/zinc/58/06/60/981580660.db2.gz QFPWJGFTPNWWJH-JTQLQIEISA-N -1 0 324.385 -0.475 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)N[C@@H]3COC[C@H]3O)cc2=O)cc1 ZINC001362458493 981581632 /nfs/dbraw/zinc/58/16/32/981581632.db2.gz SWPNDMILCMKWOX-CHWSQXEVSA-N -1 0 303.318 -0.036 20 0 DBADRM C[C@@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1cnn(C)c1 ZINC001362466052 981584576 /nfs/dbraw/zinc/58/45/76/981584576.db2.gz IZDLERRNGRLHCJ-VIFPVBQESA-N -1 0 316.383 -0.504 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CCCC12OCCO2 ZINC001362471149 981587804 /nfs/dbraw/zinc/58/78/04/981587804.db2.gz XRSSJWMFUXQALC-SECBINFHSA-N -1 0 320.367 -0.888 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1coc2c1C(=O)NCCC2 ZINC001362471897 981588698 /nfs/dbraw/zinc/58/86/98/981588698.db2.gz CWZGRBVFPQUSEY-UHFFFAOYSA-N -1 0 306.278 -0.396 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001362474199 981589620 /nfs/dbraw/zinc/58/96/20/981589620.db2.gz LHCAGZGJYQDTRG-PSVAKVPMSA-N -1 0 315.351 -0.623 20 0 DBADRM O=C(NC[C@@H](O)C1CCOCC1)c1c[n-]n2c1nccc2=O ZINC001362480651 981593234 /nfs/dbraw/zinc/59/32/34/981593234.db2.gz NPJMDCDMRLOAFH-LLVKDONJSA-N -1 0 306.322 -0.460 20 0 DBADRM COc1n[nH]c(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)n1 ZINC001362485597 981594689 /nfs/dbraw/zinc/59/46/89/981594689.db2.gz CFWHYIWXWVXWLM-ZJUUUORDSA-N -1 0 311.342 -0.368 20 0 DBADRM COC(=O)c1cnc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)cn1 ZINC001362494531 981600574 /nfs/dbraw/zinc/60/05/74/981600574.db2.gz BSPVZAOBVMDTCY-SSDOTTSWSA-N -1 0 305.298 -0.348 20 0 DBADRM CCN1CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1=O ZINC001362497816 981602317 /nfs/dbraw/zinc/60/23/17/981602317.db2.gz BFTJETLFUHUFDX-UHFFFAOYSA-N -1 0 311.342 -0.450 20 0 DBADRM COc1ccc(OC)c([C@H](O)CNC(=O)CCc2nnn[n-]2)c1 ZINC001362503520 981603513 /nfs/dbraw/zinc/60/35/13/981603513.db2.gz HGXRDDDRCVNHCM-LLVKDONJSA-N -1 0 321.337 -0.001 20 0 DBADRM CSCC[C@H](NC(=O)CCc1nnn[n-]1)C(=O)N(C)C ZINC001362503788 981605920 /nfs/dbraw/zinc/60/59/20/981605920.db2.gz MEAKZNSWEYEOEN-QMMMGPOBSA-N -1 0 300.388 -0.542 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362506816 981606811 /nfs/dbraw/zinc/60/68/11/981606811.db2.gz YLZFCGTUVQATCX-BDAKNGLRSA-N -1 0 311.342 -0.500 20 0 DBADRM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362506820 981606896 /nfs/dbraw/zinc/60/68/96/981606896.db2.gz YLZFCGTUVQATCX-IUCAKERBSA-N -1 0 311.342 -0.500 20 0 DBADRM CCO[C@H]1COCC[C@H]1NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362533753 981641884 /nfs/dbraw/zinc/64/18/84/981641884.db2.gz OQDCSEDDPXVWKC-SFYZADRCSA-N -1 0 302.356 -0.087 20 0 DBADRM Cc1nnc(CC(=O)N2CCC(O)(c3nnn[n-]3)CC2)s1 ZINC001362558781 981674969 /nfs/dbraw/zinc/67/49/69/981674969.db2.gz CGFYSJTULGMYGU-UHFFFAOYSA-N -1 0 309.355 -0.588 20 0 DBADRM COCc1cncc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c1 ZINC001362562770 981682428 /nfs/dbraw/zinc/68/24/28/981682428.db2.gz QYMCKJDKGSJPHF-UHFFFAOYSA-N -1 0 318.337 -0.135 20 0 DBADRM CCN1CC[C@@H](NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1=O ZINC001596410273 1017140623 /nfs/dbraw/zinc/14/06/23/1017140623.db2.gz WXMFCTOXTBWSCH-GHMZBOCLSA-N -1 0 313.354 -0.526 20 0 DBADRM CC1(C)CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H](CO)O1 ZINC001362576934 981718396 /nfs/dbraw/zinc/71/83/96/981718396.db2.gz LTIBEVATIGDYMF-SECBINFHSA-N -1 0 321.337 -0.931 20 0 DBADRM Cc1ccccc1C[C@@H](CO)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362591849 981733198 /nfs/dbraw/zinc/73/31/98/981733198.db2.gz QJUSJSHCKIBUGG-NSHDSACASA-N -1 0 306.322 -0.282 20 0 DBADRM CN(C)C(=O)O[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001362596527 981740529 /nfs/dbraw/zinc/74/05/29/981740529.db2.gz PIAKHGNSKGJQLL-SSDOTTSWSA-N -1 0 311.298 -0.414 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001362601821 981745093 /nfs/dbraw/zinc/74/50/93/981745093.db2.gz CTENEYFBGHEQLA-AWEZNQCLSA-N -1 0 322.321 -0.757 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1c[n-]ncc1=O ZINC001362625106 981770262 /nfs/dbraw/zinc/77/02/62/981770262.db2.gz ICVXLULRFAHCJG-MRVPVSSYSA-N -1 0 300.340 -0.664 20 0 DBADRM COC(=O)[C@H](CC(F)(F)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362628716 981773987 /nfs/dbraw/zinc/77/39/87/981773987.db2.gz ZNXKSYOERHBRBO-BYPYZUCNSA-N -1 0 312.204 -0.701 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CCC[C@H](O)C1 ZINC001362629797 981778704 /nfs/dbraw/zinc/77/87/04/981778704.db2.gz AVFLEVDRNPKYDI-NSHDSACASA-N -1 0 304.306 -0.137 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1C[C@H]1[C@@H]1CCCO1 ZINC001362638338 981784377 /nfs/dbraw/zinc/78/43/77/981784377.db2.gz NMKRZQSPMYQNEJ-IEBDPFPHSA-N -1 0 303.322 -0.245 20 0 DBADRM CC1(C)COC(=O)[C@H]1NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362642472 981788117 /nfs/dbraw/zinc/78/81/17/981788117.db2.gz FOMSNCRIPYIIGP-SNVBAGLBSA-N -1 0 316.321 -0.244 20 0 DBADRM Cc1ccn(C[C@@H](C)C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC001362642032 981788128 /nfs/dbraw/zinc/78/81/28/981788128.db2.gz DYYDLYOWJNBXOB-SECBINFHSA-N -1 0 316.383 -0.590 20 0 DBADRM CO[C@@]1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCSC1 ZINC001362645417 981791219 /nfs/dbraw/zinc/79/12/19/981791219.db2.gz NCGVUZWZYXVLMM-JTQLQIEISA-N -1 0 310.397 -0.909 20 0 DBADRM CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)c2cc(=O)n(C)[n-]2)n1 ZINC001362657330 981803481 /nfs/dbraw/zinc/80/34/81/981803481.db2.gz BRBVSURQFYJHKB-ZCFIWIBFSA-N -1 0 308.298 -0.089 20 0 DBADRM O=C([C@H]1CCNC(=O)CC1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362675053 981811657 /nfs/dbraw/zinc/81/16/57/981811657.db2.gz VHOWIPQGTVMTKA-RKDXNWHRSA-N -1 0 310.383 -0.268 20 0 DBADRM O=C(CC1(O)CCOCC1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362682640 981815901 /nfs/dbraw/zinc/81/59/01/981815901.db2.gz HAMJQAXXKRISNG-VIFPVBQESA-N -1 0 313.383 -0.252 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NCc2nc(=O)o[n-]2)C1 ZINC001362682465 981816141 /nfs/dbraw/zinc/81/61/41/981816141.db2.gz KSNNAGZAKLJGOY-ZETCQYMHSA-N -1 0 312.282 -0.534 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1C[C@@H](O)C2(CC2)C1 ZINC001362684796 981816696 /nfs/dbraw/zinc/81/66/96/981816696.db2.gz HYAAISSSQLNEOT-LLVKDONJSA-N -1 0 316.317 -0.137 20 0 DBADRM CCn1cc(CC(=O)N2CCSC[C@@H]2c2nnn[n-]2)nn1 ZINC001362684774 981817216 /nfs/dbraw/zinc/81/72/16/981817216.db2.gz MIJPRVQQCFXEKJ-SECBINFHSA-N -1 0 308.371 -0.330 20 0 DBADRM CS(=O)(=O)C1CCC(C(=O)NCc2nc(=O)o[n-]2)CC1 ZINC001362687977 981820025 /nfs/dbraw/zinc/82/00/25/981820025.db2.gz XHSKRIJBOFNTNW-UHFFFAOYSA-N -1 0 303.340 -0.418 20 0 DBADRM O=C(CCn1cnccc1=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362689402 981820254 /nfs/dbraw/zinc/82/02/54/981820254.db2.gz QMIRROZKHUKGDI-SNVBAGLBSA-N -1 0 303.326 -0.447 20 0 DBADRM O=C([C@H](O)c1ccccn1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362689591 981820420 /nfs/dbraw/zinc/82/04/20/981820420.db2.gz YUZLIZLTMHBEDX-NXEZZACHSA-N -1 0 306.351 -0.055 20 0 DBADRM O=C([C@H](O)c1ccccn1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362689601 981820468 /nfs/dbraw/zinc/82/04/68/981820468.db2.gz YUZLIZLTMHBEDX-VHSXEESVSA-N -1 0 306.351 -0.055 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H]1OC ZINC001362702826 981830038 /nfs/dbraw/zinc/83/00/38/981830038.db2.gz IWVDCIBFVFOZCL-NGZCFLSTSA-N -1 0 314.342 -0.222 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NC[C@@H]3COCO3)cc2=O)n1 ZINC001362703707 981831350 /nfs/dbraw/zinc/83/13/50/981831350.db2.gz RXQLAEFXIHYOPU-SNVBAGLBSA-N -1 0 319.321 -0.325 20 0 DBADRM CS(=O)(=O)Nc1cc(F)ccc1NC(=O)Cn1ncnn1 ZINC001362711198 981837066 /nfs/dbraw/zinc/83/70/66/981837066.db2.gz DQQKHZVHLDZFOV-UHFFFAOYSA-N -1 0 314.302 -0.178 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC001362712361 981839249 /nfs/dbraw/zinc/83/92/49/981839249.db2.gz HSBIJODCAJXKIQ-FXBDTBDDSA-N -1 0 302.294 -0.098 20 0 DBADRM NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC001362718135 981844786 /nfs/dbraw/zinc/84/47/86/981844786.db2.gz VRPIVJYHYOYYCB-GMTAPVOTSA-N -1 0 300.322 -0.083 20 0 DBADRM O=C(N1CCC(O)(c2nnn[n-]2)CC1)[C@]12CCC[C@H]1OCC2 ZINC001362728413 981851592 /nfs/dbraw/zinc/85/15/92/981851592.db2.gz FOWSSBINQJFTTB-MFKMUULPSA-N -1 0 307.354 -0.031 20 0 DBADRM CC(=O)c1c[nH]c(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c1 ZINC001362732469 981854713 /nfs/dbraw/zinc/85/47/13/981854713.db2.gz RZVHQCOXMBGXNQ-UHFFFAOYSA-N -1 0 304.310 -0.146 20 0 DBADRM Cn1[nH]c(=O)c2c1CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)CC2 ZINC001362731620 981855216 /nfs/dbraw/zinc/85/52/16/981855216.db2.gz RNRMPEXVWAEADY-UHFFFAOYSA-N -1 0 322.325 -0.507 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001362733830 981857235 /nfs/dbraw/zinc/85/72/35/981857235.db2.gz ZYNUWKPWISSOFG-AWEZNQCLSA-N -1 0 322.296 -0.052 20 0 DBADRM CO[C@H]1COCC[C@H]1CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362745583 981862145 /nfs/dbraw/zinc/86/21/45/981862145.db2.gz YIWGAQRDAFNJAU-UWVGGRQHSA-N -1 0 314.342 -0.363 20 0 DBADRM CO[C@H]1COCC[C@@H]1CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362745935 981863249 /nfs/dbraw/zinc/86/32/49/981863249.db2.gz YIWGAQRDAFNJAU-ZJUUUORDSA-N -1 0 314.342 -0.363 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCC(CO)(CO)C2)cc1=O ZINC001362755944 981868338 /nfs/dbraw/zinc/86/83/38/981868338.db2.gz HUHDYXDKFLGCGC-UHFFFAOYSA-N -1 0 311.382 -0.422 20 0 DBADRM NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)CCc2nnn[n-]2)C1 ZINC001362755750 981868638 /nfs/dbraw/zinc/86/86/38/981868638.db2.gz IFKGHGVVBLZIKW-HNNXBMFYSA-N -1 0 314.349 -0.212 20 0 DBADRM O=C(COc1ccc(O)cc1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001362757394 981868967 /nfs/dbraw/zinc/86/89/67/981868967.db2.gz DTUIUWWOZYDARN-LLVKDONJSA-N -1 0 305.294 -0.116 20 0 DBADRM O=C(C[C@@H]1CCCS1(=O)=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001362760417 981871893 /nfs/dbraw/zinc/87/18/93/981871893.db2.gz KPZNGYVUPXABII-DTWKUNHWSA-N -1 0 315.355 -0.933 20 0 DBADRM O=C([C@@H](O)Cc1ccccc1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001362760414 981872274 /nfs/dbraw/zinc/87/22/74/981872274.db2.gz KPPCIGWOBMTKCS-NEPJUHHUSA-N -1 0 303.322 -0.297 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)n1C ZINC001362763309 981873116 /nfs/dbraw/zinc/87/31/16/981873116.db2.gz YMPZUGQZBLHPRD-JTQLQIEISA-N -1 0 320.309 -0.462 20 0 DBADRM COC[C@@](C)(CO)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362764644 981873700 /nfs/dbraw/zinc/87/37/00/981873700.db2.gz LQHDNPATJJSQKA-CQSZACIVSA-N -1 0 322.321 -0.607 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccoc1C1(O)CCOCC1 ZINC001362772612 981878711 /nfs/dbraw/zinc/87/87/11/981878711.db2.gz HWETWCVKWKAKKA-UHFFFAOYSA-N -1 0 323.305 -0.074 20 0 DBADRM C[C@@H]1CN(CCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H](C)O1 ZINC001362774613 981880748 /nfs/dbraw/zinc/88/07/48/981880748.db2.gz LHIAFIFLFQNXNJ-AOOOYVTPSA-N -1 0 313.358 -0.743 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H](CO)C1CCOCC1 ZINC001362794687 981892934 /nfs/dbraw/zinc/89/29/34/981892934.db2.gz UOYQZOARELFSML-SNVBAGLBSA-N -1 0 314.342 -0.627 20 0 DBADRM O=C([C@H]1CCCN1c1ncccn1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001362804040 981898536 /nfs/dbraw/zinc/89/85/36/981898536.db2.gz BBAMETPQUZJOPA-WDEREUQCSA-N -1 0 314.353 -0.025 20 0 DBADRM C[C@H](CN(C)C(=O)c1ncccc1S(C)(=O)=O)c1nnn[n-]1 ZINC001362825159 981916982 /nfs/dbraw/zinc/91/69/82/981916982.db2.gz MURFKSJMSDQQJL-MRVPVSSYSA-N -1 0 324.366 -0.126 20 0 DBADRM C[C@@H](CN(C)C(=O)c1ncccc1S(C)(=O)=O)c1nnn[n-]1 ZINC001362825179 981918229 /nfs/dbraw/zinc/91/82/29/981918229.db2.gz MURFKSJMSDQQJL-QMMMGPOBSA-N -1 0 324.366 -0.126 20 0 DBADRM O=C(CNC(=O)c1cccc(O)c1)NC1(c2nnn[n-]2)CCC1 ZINC001362835567 981926315 /nfs/dbraw/zinc/92/63/15/981926315.db2.gz MMQRCKUBLFAQTM-UHFFFAOYSA-N -1 0 316.321 -0.169 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)[C@H]1CCc2nnnn2CC1 ZINC001362836537 981927580 /nfs/dbraw/zinc/92/75/80/981927580.db2.gz QKGRLYLXBRUUFN-QMMMGPOBSA-N -1 0 303.330 -0.666 20 0 DBADRM Cn1nccc1[C@@H]1C[C@@H](NC(=O)CCc2nnn[n-]2)CCO1 ZINC001362855135 981947933 /nfs/dbraw/zinc/94/79/33/981947933.db2.gz SQHGCEJSMOGFCQ-ONGXEEELSA-N -1 0 305.342 -0.098 20 0 DBADRM CON1CCC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001362882352 981968484 /nfs/dbraw/zinc/96/84/84/981968484.db2.gz MAWNFBAPGNGLAF-UHFFFAOYSA-N -1 0 306.326 -0.787 20 0 DBADRM C[C@H](C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC001530727814 1014786246 /nfs/dbraw/zinc/78/62/46/1014786246.db2.gz QEKHAXSMIKGAGA-ZETCQYMHSA-N -1 0 321.337 -0.483 20 0 DBADRM CC(C)Cn1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC001362900445 981984288 /nfs/dbraw/zinc/98/42/88/981984288.db2.gz MTTAOKCJQGEENA-UHFFFAOYSA-N -1 0 316.383 -0.265 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362903447 981985507 /nfs/dbraw/zinc/98/55/07/981985507.db2.gz MTKFDRWHILWRHN-NWDGAFQWSA-N -1 0 318.337 -0.703 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)N[C@@H](COC)c2nnn[n-]2)C1 ZINC001362904289 981985651 /nfs/dbraw/zinc/98/56/51/981985651.db2.gz AGNQGWPZNGRDQY-ZJUUUORDSA-N -1 0 310.358 -0.348 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)O1 ZINC001362908842 981991492 /nfs/dbraw/zinc/99/14/92/981991492.db2.gz VXATXLNEQBOXNR-LPEHRKFASA-N -1 0 308.342 -0.986 20 0 DBADRM C[C@]1(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)CCC(=O)NC1 ZINC001362910127 981994103 /nfs/dbraw/zinc/99/41/03/981994103.db2.gz ZJQPKUGADYZLKU-HZMBPMFUSA-N -1 0 306.370 -0.103 20 0 DBADRM CNC(=O)C1(NC(=O)CSc2n[nH]c(=O)[n-]2)CCOCC1 ZINC001362929017 982010633 /nfs/dbraw/zinc/01/06/33/982010633.db2.gz QWMUODKKKAQVRW-UHFFFAOYSA-N -1 0 315.355 -0.986 20 0 DBADRM C[C@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C1(CO)CC1 ZINC001362933296 982012204 /nfs/dbraw/zinc/01/22/04/982012204.db2.gz JGYMIPAPULKDNT-VIFPVBQESA-N -1 0 302.338 -0.034 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1C[C@H]2C[C@@]2(CO)C1 ZINC001362934693 982012847 /nfs/dbraw/zinc/01/28/47/982012847.db2.gz DCKHQGXMZLQXKO-BMIGLBTASA-N -1 0 316.317 -0.279 20 0 DBADRM CCOC(=O)C1(CC(=O)Nn2c(=O)[n-][nH]c2=O)CCOCC1 ZINC001362951152 982022892 /nfs/dbraw/zinc/02/28/92/982022892.db2.gz XFVRQENEUDQTKO-UHFFFAOYSA-N -1 0 314.298 -0.491 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCC[C@@]12CCOC2=O ZINC001362969428 982036111 /nfs/dbraw/zinc/03/61/11/982036111.db2.gz HNBZZKBZZKBVDZ-AWEZNQCLSA-N -1 0 302.290 -0.056 20 0 DBADRM COC1(CO)CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001362987150 982048842 /nfs/dbraw/zinc/04/88/42/982048842.db2.gz UNNGBBZSCJKDCG-UHFFFAOYSA-N -1 0 302.356 -0.398 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC(N2CCCC2=O)C1 ZINC001362992061 982050981 /nfs/dbraw/zinc/05/09/81/982050981.db2.gz OYPNCWAZPNFEPL-UHFFFAOYSA-N -1 0 301.306 -0.531 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOC2(CCOCC2)CC1 ZINC001362995928 982053076 /nfs/dbraw/zinc/05/30/76/982053076.db2.gz SGPRQSVDRSVKBY-UHFFFAOYSA-N -1 0 312.326 -0.513 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)N1CCN(C)CC1 ZINC001362993438 982054892 /nfs/dbraw/zinc/05/48/92/982054892.db2.gz GAUQYZLSMBQPIU-VXGBXAGGSA-N -1 0 307.402 -0.458 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)[C@H](C)S(C)(=O)=O ZINC001362995308 982054962 /nfs/dbraw/zinc/05/49/62/982054962.db2.gz RDZSUPSSQOSJRK-LPEHRKFASA-N -1 0 315.399 -0.025 20 0 DBADRM CC1(C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1N1CCOCC1 ZINC001363000027 982058696 /nfs/dbraw/zinc/05/86/96/982058696.db2.gz GZKMIKGDGQBANP-RKDXNWHRSA-N -1 0 323.353 -0.488 20 0 DBADRM CC1(C)[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1N1CCOCC1 ZINC001363000020 982059138 /nfs/dbraw/zinc/05/91/38/982059138.db2.gz GZKMIKGDGQBANP-IUCAKERBSA-N -1 0 323.353 -0.488 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@](C)(C(F)F)O1 ZINC001362998871 982059620 /nfs/dbraw/zinc/05/96/20/982059620.db2.gz QGAMCZFSIDJGQQ-KBUNVGBDSA-N -1 0 306.269 -0.040 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(O[C@H]2CCOC2)CC1 ZINC001363011851 982068961 /nfs/dbraw/zinc/06/89/61/982068961.db2.gz MDOJDDZQCLMAJM-JTQLQIEISA-N -1 0 312.326 -0.514 20 0 DBADRM Cc1nccnc1N1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001363018260 982072871 /nfs/dbraw/zinc/07/28/71/982072871.db2.gz XDUMRBAIWHAICC-UHFFFAOYSA-N -1 0 316.369 -0.030 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(Cn2cnnc2)CC1 ZINC001363027165 982084216 /nfs/dbraw/zinc/08/42/16/982084216.db2.gz ZOZOGOCCJUPHBD-UHFFFAOYSA-N -1 0 307.314 -0.780 20 0 DBADRM O=C(CCN1CCCC1=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363029417 982086850 /nfs/dbraw/zinc/08/68/50/982086850.db2.gz QGNZWLIPJJCRHK-UHFFFAOYSA-N -1 0 308.342 -0.978 20 0 DBADRM CCNC(=O)CCCC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363031132 982087017 /nfs/dbraw/zinc/08/70/17/982087017.db2.gz WLTQHBZDFXRUSQ-UHFFFAOYSA-N -1 0 310.358 -0.684 20 0 DBADRM CCO[C@]12CCC[C@@]1(NC(=O)Cn1c(=O)[n-][nH]c1=O)CCO2 ZINC001363043846 982093289 /nfs/dbraw/zinc/09/32/89/982093289.db2.gz ZPOPLUKEVBIREI-OLZOCXBDSA-N -1 0 312.326 -0.119 20 0 DBADRM CN(C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1nnn[n-]1 ZINC001363045880 982095893 /nfs/dbraw/zinc/09/58/93/982095893.db2.gz DAGNZSRBYJMVJB-UHFFFAOYSA-N -1 0 322.350 -0.083 20 0 DBADRM O=C(CCc1nnn[n-]1)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC001363057238 982105548 /nfs/dbraw/zinc/10/55/48/982105548.db2.gz UZUMRCXDHFONHY-MFKMUULPSA-N -1 0 309.370 -0.184 20 0 DBADRM CNC(=O)NCCC(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001363061806 982109668 /nfs/dbraw/zinc/10/96/68/982109668.db2.gz VMVNMBMSBJJONZ-NSHDSACASA-N -1 0 303.326 -0.276 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC[C@H](O)[C@@H](CO)C1 ZINC001363062538 982109710 /nfs/dbraw/zinc/10/97/10/982109710.db2.gz ADNFBSOTVZLOLM-SCZZXKLOSA-N -1 0 320.305 -0.749 20 0 DBADRM COC(=O)[C@]1(OC)CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001363086785 982125903 /nfs/dbraw/zinc/12/59/03/982125903.db2.gz FWVJGBGJEANLLL-AWEZNQCLSA-N -1 0 320.305 -0.573 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@H](C(=O)NCCc2nc(=O)o[n-]2)C1 ZINC001363093842 982131869 /nfs/dbraw/zinc/13/18/69/982131869.db2.gz VFQMXKOWGCJRBV-JTQLQIEISA-N -1 0 320.309 -0.743 20 0 DBADRM COc1nn(C)cc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC001363113167 982146544 /nfs/dbraw/zinc/14/65/44/982146544.db2.gz VDTMHQFGRMKOIL-UHFFFAOYSA-N -1 0 300.300 -0.797 20 0 DBADRM Cc1ncc2n1C[C@H](C(=O)N1CCOC[C@@H]1c1nnn[n-]1)CC2 ZINC001363117658 982148802 /nfs/dbraw/zinc/14/88/02/982148802.db2.gz YIMKGNGWMWQXEE-ZYHUDNBSSA-N -1 0 317.353 -0.133 20 0 DBADRM O=C(NC[C@H](O)C(=O)OCc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001363120400 982151792 /nfs/dbraw/zinc/15/17/92/982151792.db2.gz AWQXYUCTVIFNFD-VIFPVBQESA-N -1 0 306.278 -0.656 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001363124252 982155251 /nfs/dbraw/zinc/15/52/51/982155251.db2.gz HPILAVWKLLHDKS-LLVKDONJSA-N -1 0 315.337 -0.575 20 0 DBADRM C[C@H](c1ccccc1)[C@H](O)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363127826 982157277 /nfs/dbraw/zinc/15/72/77/982157277.db2.gz ZETFMIYXWGRWMG-MWLCHTKSSA-N -1 0 306.322 -0.030 20 0 DBADRM C[C@H](c1ccccc1)[C@@H](O)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363127825 982157695 /nfs/dbraw/zinc/15/76/95/982157695.db2.gz ZETFMIYXWGRWMG-KOLCDFICSA-N -1 0 306.322 -0.030 20 0 DBADRM CN(CCCC(=O)Nn1c(=O)[n-][nH]c1=O)C(=O)c1ccncc1 ZINC001363137135 982161563 /nfs/dbraw/zinc/16/15/63/982161563.db2.gz KZFAMRSTYGLRJB-UHFFFAOYSA-N -1 0 320.309 -0.293 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC001363138728 982163800 /nfs/dbraw/zinc/16/38/00/982163800.db2.gz OPHSYLZCHGVDRQ-RDLWGGRYSA-N -1 0 300.340 -0.799 20 0 DBADRM COC[C@H](CO)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001363139299 982166893 /nfs/dbraw/zinc/16/68/93/982166893.db2.gz HGAZILLYGFLIEM-JTQLQIEISA-N -1 0 321.337 -0.690 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(C)c1nnn[n-]1 ZINC001363149181 982180410 /nfs/dbraw/zinc/18/04/10/982180410.db2.gz IEZFGIRXQROFJP-ZCFIWIBFSA-N -1 0 316.368 -0.409 20 0 DBADRM CN(C(=O)[C@](C)(O)CN1Cc2ccccc2C1=O)c1nnn[n-]1 ZINC001363149086 982180442 /nfs/dbraw/zinc/18/04/42/982180442.db2.gz HJNJNUKIXJQDPI-CQSZACIVSA-N -1 0 316.321 -0.431 20 0 DBADRM C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1nc([O-])cc(=O)[nH]1)CS2 ZINC001363153373 982182599 /nfs/dbraw/zinc/18/25/99/982182599.db2.gz UWGYSFFXWQEUSS-FUXBKTLASA-N -1 0 324.362 -0.042 20 0 DBADRM CNS(=O)(=O)c1ccc(CC(=O)N(C)c2nnn[n-]2)cc1 ZINC001363151616 982183032 /nfs/dbraw/zinc/18/30/32/982183032.db2.gz SJGXPARQWMYTOZ-UHFFFAOYSA-N -1 0 310.339 -0.687 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN[C@H](c2ccc(O)cc2)C1 ZINC001363169663 982194254 /nfs/dbraw/zinc/19/42/54/982194254.db2.gz RGKJUXBSSQXCGM-JTQLQIEISA-N -1 0 317.305 -0.225 20 0 DBADRM COC(=O)c1cc(NC(=O)CSc2n[nH]c(=O)[n-]2)nn1C ZINC001363172642 982196946 /nfs/dbraw/zinc/19/69/46/982196946.db2.gz NESNVPCAEFFBKP-UHFFFAOYSA-N -1 0 312.311 -0.239 20 0 DBADRM COC(=O)[C@H](CCF)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363193329 982213447 /nfs/dbraw/zinc/21/34/47/982213447.db2.gz FHQQWIRWMNPKDN-ZETCQYMHSA-N -1 0 304.278 -0.513 20 0 DBADRM CC(C)CCC(=O)NCC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363203984 982221398 /nfs/dbraw/zinc/22/13/98/982221398.db2.gz MKFLGEQMEKUCFI-JTQLQIEISA-N -1 0 310.358 -0.348 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)N3CC[C@H](c4nnn[n-]4)C3)C2)cn1 ZINC001363215272 982231528 /nfs/dbraw/zinc/23/15/28/982231528.db2.gz CLLUDDPYNJHSQV-KWQFWETISA-N -1 0 316.325 -0.558 20 0 DBADRM CCOC[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CCO1 ZINC001363227978 982238979 /nfs/dbraw/zinc/23/89/79/982238979.db2.gz SYJVNXQDHDGIAE-JTQLQIEISA-N -1 0 314.342 -0.267 20 0 DBADRM CCN1CC[C@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C1=O ZINC001363240032 982250218 /nfs/dbraw/zinc/25/02/18/982250218.db2.gz JYWTUHZMAMCJMF-NSHDSACASA-N -1 0 315.337 -0.575 20 0 DBADRM CNC(=O)Cc1noc(CN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC001363251619 982272763 /nfs/dbraw/zinc/27/27/63/982272763.db2.gz YRMSSBXPLJHCKT-MRVPVSSYSA-N -1 0 321.341 -0.439 20 0 DBADRM CNC(=O)Cc1noc(CN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC001363251620 982275455 /nfs/dbraw/zinc/27/54/55/982275455.db2.gz YRMSSBXPLJHCKT-QMMMGPOBSA-N -1 0 321.341 -0.439 20 0 DBADRM O=C(NCCS(=O)(=O)C1CCOCC1)c1c[n-]ncc1=O ZINC001363265437 982287899 /nfs/dbraw/zinc/28/78/99/982287899.db2.gz FHAKIEUWJJMFSA-UHFFFAOYSA-N -1 0 315.351 -0.494 20 0 DBADRM Cn1cncc1CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001363265549 982288476 /nfs/dbraw/zinc/28/84/76/982288476.db2.gz FXSOJIATVCGIBS-UHFFFAOYSA-N -1 0 310.335 -0.297 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@](CO)(COC)C1)C(=O)[O-] ZINC001594891746 982291773 /nfs/dbraw/zinc/29/17/73/982291773.db2.gz MJXYCYDFUFQAOV-LNSITVRQSA-N -1 0 316.398 -0.067 20 0 DBADRM C[C@@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CC(=O)N1 ZINC001363269742 982292102 /nfs/dbraw/zinc/29/21/02/982292102.db2.gz RSWWKOHYMJFBMZ-MRVPVSSYSA-N -1 0 301.310 -0.965 20 0 DBADRM CSCC[C@H](NC(=O)C1=CCS(=O)(=O)C1)c1nnn[n-]1 ZINC001363278591 982298805 /nfs/dbraw/zinc/29/88/05/982298805.db2.gz DMQOUPQEDQOIJS-QMMMGPOBSA-N -1 0 317.396 -0.535 20 0 DBADRM C[C@@H](C(=O)N1CCC(c2nnn[n-]2)CC1)[C@H](C)S(C)(=O)=O ZINC001363282326 982304046 /nfs/dbraw/zinc/30/40/46/982304046.db2.gz MCRWAHQPUAKYCI-BDAKNGLRSA-N -1 0 315.399 -0.025 20 0 DBADRM O=C(N[C@H]1CCCNC1=O)c1nc[n-]c(=O)c1Br ZINC001363298753 982323088 /nfs/dbraw/zinc/32/30/88/982323088.db2.gz ONGJAXJWKYQKSV-YFKPBYRVSA-N -1 0 315.127 -0.047 20 0 DBADRM CN(C(=O)CNS(=O)(=O)c1cccs1)c1nnn[n-]1 ZINC001363314413 982334507 /nfs/dbraw/zinc/33/45/07/982334507.db2.gz CUXSTHHWWFQZHK-UHFFFAOYSA-N -1 0 302.341 -0.798 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@@H](O)CC2(CCOCC2)C1 ZINC001363330453 982346172 /nfs/dbraw/zinc/34/61/72/982346172.db2.gz ZKBVEEQKJSODCE-QMMMGPOBSA-N -1 0 310.310 -0.714 20 0 DBADRM CN(CC(=O)N1CCCC1)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363334404 982349761 /nfs/dbraw/zinc/34/97/61/982349761.db2.gz PMDNJALDEFSUQW-UHFFFAOYSA-N -1 0 311.342 -0.450 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@H]1CCCS1(=O)=O ZINC001363354707 982359402 /nfs/dbraw/zinc/35/94/02/982359402.db2.gz JBNMJWXNNZQEEZ-SECBINFHSA-N -1 0 301.372 -0.239 20 0 DBADRM CC[C@@H]1[C@H](CO)CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001363374141 982368820 /nfs/dbraw/zinc/36/88/20/982368820.db2.gz JICWHZQFUAIYHP-GXSJLCMTSA-N -1 0 305.338 -0.309 20 0 DBADRM CC[C@H]1[C@H](CO)CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001363374145 982368967 /nfs/dbraw/zinc/36/89/67/982368967.db2.gz JICWHZQFUAIYHP-ONGXEEELSA-N -1 0 305.338 -0.309 20 0 DBADRM CSCC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)N(C)C ZINC001363378914 982373814 /nfs/dbraw/zinc/37/38/14/982373814.db2.gz AWPDANFKZNXAFS-ZETCQYMHSA-N -1 0 317.371 -0.985 20 0 DBADRM CCCn1cc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)nn1 ZINC001363378620 982374082 /nfs/dbraw/zinc/37/40/82/982374082.db2.gz NGJRLGVCXYXTPG-UHFFFAOYSA-N -1 0 309.330 -0.213 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)NCC1CC2(C1)OCCO2 ZINC001363388192 982382168 /nfs/dbraw/zinc/38/21/68/982382168.db2.gz VPGXPHUQEMWYMP-UHFFFAOYSA-N -1 0 311.294 -0.221 20 0 DBADRM COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)CCCc1nnn[n-]1 ZINC001363393160 982384551 /nfs/dbraw/zinc/38/45/51/982384551.db2.gz RLXYGUQEYHVZKG-NXEZZACHSA-N -1 0 311.342 -0.251 20 0 DBADRM O=C(c1cc2n(n1)CCO2)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001363395356 982387043 /nfs/dbraw/zinc/38/70/43/982387043.db2.gz DGGAQCBBVBQNPI-VIFPVBQESA-N -1 0 303.326 -0.117 20 0 DBADRM Cc1nnc(C2CN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C2)[nH]1 ZINC001363400527 982390340 /nfs/dbraw/zinc/39/03/40/982390340.db2.gz UBEOCAARIKHMNI-UHFFFAOYSA-N -1 0 307.314 -0.478 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCO[C@H](CC(N)=O)C2)cc1=O ZINC001363404302 982393768 /nfs/dbraw/zinc/39/37/68/982393768.db2.gz RFRBZCHYIDDTGX-GFCCVEGCSA-N -1 0 324.381 -0.522 20 0 DBADRM COC[C@@H](NC(=O)C1CCN(C(=O)OC)CC1)c1nnn[n-]1 ZINC001363408100 982397259 /nfs/dbraw/zinc/39/72/59/982397259.db2.gz BKFXYOYQKPZKCU-SECBINFHSA-N -1 0 312.330 -0.518 20 0 DBADRM O=C(Cn1nnc2c1CCCC2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363409251 982397580 /nfs/dbraw/zinc/39/75/80/982397580.db2.gz BOOZRBFAQMRVPR-LLVKDONJSA-N -1 0 318.341 -0.730 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CCCc2nn(C)cc21)c1nnn[n-]1 ZINC001363414132 982400152 /nfs/dbraw/zinc/40/01/52/982400152.db2.gz KQCAECQPFMYTLA-LDYMZIIASA-N -1 0 305.342 -0.143 20 0 DBADRM COC[C@H](NC(=O)[C@H]1COc2ccc(O)cc2O1)c1nnn[n-]1 ZINC001363433160 982408799 /nfs/dbraw/zinc/40/87/99/982408799.db2.gz JOHCOVDNXBLDOG-GZMMTYOYSA-N -1 0 321.293 -0.451 20 0 DBADRM O=C(C[C@H]1CCC(=O)NC1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001363437840 982412347 /nfs/dbraw/zinc/41/23/47/982412347.db2.gz XYMJFVFVKPTDMF-MNOVXSKESA-N -1 0 306.370 -0.103 20 0 DBADRM COC[C@@H](NC(=O)c1cccn(C2CC2)c1=O)c1nn[n-]n1 ZINC001363438825 982412551 /nfs/dbraw/zinc/41/25/51/982412551.db2.gz VKGLBVNOKAQWIY-SNVBAGLBSA-N -1 0 304.310 -0.186 20 0 DBADRM CCn1nc(C)c(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)n1 ZINC001363452829 982425794 /nfs/dbraw/zinc/42/57/94/982425794.db2.gz XGCMFQFBQDRWPO-UHFFFAOYSA-N -1 0 309.330 -0.294 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CCC(=O)N1CCC(O)CC1 ZINC001363453648 982426106 /nfs/dbraw/zinc/42/61/06/982426106.db2.gz SATXDTCFRDULKM-UHFFFAOYSA-N -1 0 312.326 -0.915 20 0 DBADRM CC(C)[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)N1CCCC1 ZINC001363454914 982427463 /nfs/dbraw/zinc/42/74/63/982427463.db2.gz BBXITFFOMLYEBI-JTQLQIEISA-N -1 0 311.342 -0.548 20 0 DBADRM COC(=O)[C@](C)(CCF)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363477460 982442222 /nfs/dbraw/zinc/44/22/22/982442222.db2.gz VATSLXHSIWLLKF-LBPRGKRZSA-N -1 0 318.305 -0.123 20 0 DBADRM CC(C)(C(=O)NCc1nc([O-])cc(=O)[nH]1)S(=O)(=O)C1CC1 ZINC001363482783 982445399 /nfs/dbraw/zinc/44/53/99/982445399.db2.gz CFEWMSZHRNEGLA-UHFFFAOYSA-N -1 0 315.351 -0.140 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@@H](CO)[C@H](CO)C2)cc1=O ZINC001363483502 982446610 /nfs/dbraw/zinc/44/66/10/982446610.db2.gz YGINPQWMUCIQQS-RYUDHWBXSA-N -1 0 311.382 -0.566 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(O)CCC(F)(F)CC1 ZINC001363485496 982447891 /nfs/dbraw/zinc/44/78/91/982447891.db2.gz TYDRRZGQOPMDGP-UHFFFAOYSA-N -1 0 306.269 -0.254 20 0 DBADRM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)[C@@H]1CCOC(=O)N1 ZINC001363496558 982458628 /nfs/dbraw/zinc/45/86/28/982458628.db2.gz QGBNTLGTAFUBNU-UWVGGRQHSA-N -1 0 302.294 -0.096 20 0 DBADRM CC(C)(C)N1C[C@H](C(=O)N2CCOC[C@@H]2c2nnn[n-]2)CC1=O ZINC001363509812 982471543 /nfs/dbraw/zinc/47/15/43/982471543.db2.gz CINSKYHUGUIJGK-NXEZZACHSA-N -1 0 322.369 -0.253 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363512217 982475928 /nfs/dbraw/zinc/47/59/28/982475928.db2.gz KYXMEDBFCZGXBS-KKZNHRDASA-N -1 0 303.326 -0.363 20 0 DBADRM Cn1cc2c(n1)CCC[C@@H]2C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363512370 982476058 /nfs/dbraw/zinc/47/60/58/982476058.db2.gz MPCIMZAGCDUXLM-JOYOIKCWSA-N -1 0 317.353 -0.047 20 0 DBADRM Cn1nccc1COCC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363514810 982478534 /nfs/dbraw/zinc/47/85/34/982478534.db2.gz UZMLOJAPYINALT-SNVBAGLBSA-N -1 0 307.314 -0.950 20 0 DBADRM CN1C[C@H](CCNC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1=O ZINC001363518079 982479960 /nfs/dbraw/zinc/47/99/60/982479960.db2.gz CGEGUJLWGLFGEA-SECBINFHSA-N -1 0 311.342 -0.546 20 0 DBADRM O=C(Cc1[nH]nc2c1CCCC2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363515343 982480143 /nfs/dbraw/zinc/48/01/43/982480143.db2.gz ZVGLDVFREPYETQ-GFCCVEGCSA-N -1 0 317.353 -0.056 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CC[C@H](c3nnn[n-]3)C2)cn1 ZINC001363521933 982483492 /nfs/dbraw/zinc/48/34/92/982483492.db2.gz CEKGOVCADNRGGN-VIFPVBQESA-N -1 0 301.310 -0.748 20 0 DBADRM Nc1nccnc1C(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001363530532 982490108 /nfs/dbraw/zinc/49/01/08/982490108.db2.gz RCVUSLXEDHWBLL-UHFFFAOYSA-N -1 0 302.294 -0.443 20 0 DBADRM C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)O2)[C@H]1C ZINC001363533917 982491985 /nfs/dbraw/zinc/49/19/85/982491985.db2.gz VRDZRQZPWAALRE-OSGJSWLFSA-N -1 0 324.337 -0.015 20 0 DBADRM C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)O2)CO1 ZINC001363538193 982494526 /nfs/dbraw/zinc/49/45/26/982494526.db2.gz ZJNHCETUTBGNFU-BFHDXFOESA-N -1 0 310.310 -0.261 20 0 DBADRM CC(=O)c1cn(CC(=O)N(Cc2nnn[n-]2)CC(C)C)nn1 ZINC001363544254 982499985 /nfs/dbraw/zinc/49/99/85/982499985.db2.gz MLSRNSOWNXUQKH-UHFFFAOYSA-N -1 0 306.330 -0.321 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCCCCCNC(=O)CC1 ZINC001363559814 982510809 /nfs/dbraw/zinc/51/08/09/982510809.db2.gz SJOCOFWSZWRWFJ-UHFFFAOYSA-N -1 0 311.342 -0.402 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CNC(=O)Cc1cccc(F)c1 ZINC001363564633 982513635 /nfs/dbraw/zinc/51/36/35/982513635.db2.gz GUTQGNXJLUCSOJ-UHFFFAOYSA-N -1 0 322.296 -0.181 20 0 DBADRM COC(=O)[C@]12CCC[C@H]1N(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC001363567985 982514583 /nfs/dbraw/zinc/51/45/83/982514583.db2.gz XCVHOEIFSSSOJL-UHLUBPPHSA-N -1 0 308.294 -0.159 20 0 DBADRM COC[C@@H](NC(=O)CN1CSCCSC1)c1nnn[n-]1 ZINC001363584233 982521325 /nfs/dbraw/zinc/52/13/25/982521325.db2.gz DGURREJUNHHMAN-MRVPVSSYSA-N -1 0 318.428 -0.300 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CCCN(CC(F)F)C1)c1nnn[n-]1 ZINC001363586718 982524246 /nfs/dbraw/zinc/52/42/46/982524246.db2.gz KWJBWBMYNCKAMU-RKDXNWHRSA-N -1 0 318.328 -0.020 20 0 DBADRM O=C(NC[C@@]1(CO)COCCN1)c1s[n-]c(=O)c1Cl ZINC001363592647 982528350 /nfs/dbraw/zinc/52/83/50/982528350.db2.gz AKSHPILXAOHNQV-SNVBAGLBSA-N -1 0 307.759 -0.417 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOc2ccccc2[C@@H]1CO ZINC001363613412 982536706 /nfs/dbraw/zinc/53/67/06/982536706.db2.gz VRYTWGHLHZEYPE-VIFPVBQESA-N -1 0 318.289 -0.149 20 0 DBADRM COC(=O)C1=NO[C@]2(CCN(C(=O)c3cc(=O)n(C)[n-]3)C2)C1 ZINC001363626414 982541776 /nfs/dbraw/zinc/54/17/76/982541776.db2.gz ISIOEMWHFCBYJG-CYBMUJFWSA-N -1 0 308.294 -0.340 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCC2(CNC(=O)O2)CC1 ZINC001363646891 982552264 /nfs/dbraw/zinc/55/22/64/982552264.db2.gz KKSISKIBQFJDGC-UHFFFAOYSA-N -1 0 317.305 -0.263 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@H](C)c2nn(C)cc2[O-])nn1 ZINC001363656404 982556193 /nfs/dbraw/zinc/55/61/93/982556193.db2.gz ACLOBVMKPWZCNO-BDAKNGLRSA-N -1 0 308.342 -0.021 20 0 DBADRM C[C@H](NC(=O)CCS(=O)(=O)N(C)C)c1nn(C)cc1[O-] ZINC001363665535 982561828 /nfs/dbraw/zinc/56/18/28/982561828.db2.gz LVYMFORLGHDMEW-QMMMGPOBSA-N -1 0 304.372 -0.416 20 0 DBADRM O=C(Cn1ccccc1=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001363688796 982572576 /nfs/dbraw/zinc/57/25/76/982572576.db2.gz MORTVNKHWQWNDS-UHFFFAOYSA-N -1 0 316.317 -0.267 20 0 DBADRM Cc1nnc2n1CCN(C(=O)CCCn1c(=O)[n-][nH]c1=O)[C@@H]2C ZINC001363699556 982575987 /nfs/dbraw/zinc/57/59/87/982575987.db2.gz LMARHMZQNPAUOD-MRVPVSSYSA-N -1 0 321.341 -0.027 20 0 DBADRM Cc1nnc2n1CCN(C(=O)CCCn1c(=O)[n-][nH]c1=O)[C@H]2C ZINC001363699562 982576680 /nfs/dbraw/zinc/57/66/80/982576680.db2.gz LMARHMZQNPAUOD-QMMMGPOBSA-N -1 0 321.341 -0.027 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CC(CNC(=O)C(F)(F)F)C1 ZINC001363705275 982580363 /nfs/dbraw/zinc/58/03/63/982580363.db2.gz RMGSWHZMWUGOJV-UHFFFAOYSA-N -1 0 306.248 -0.731 20 0 DBADRM COC(=O)C1(O)CN(C(=O)c2c(C)[nH]c(=O)nc2SC)C1 ZINC001363713262 982583484 /nfs/dbraw/zinc/58/34/84/982583484.db2.gz PEQPEHVJRPKFFH-UHFFFAOYSA-N -1 0 313.335 -0.428 20 0 DBADRM O=C(Cn1nnc2c1CCCC2)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363722704 982590458 /nfs/dbraw/zinc/59/04/58/982590458.db2.gz PNSYQXHGLUAUFG-SECBINFHSA-N -1 0 302.342 -0.314 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N1CC[C@H](c3nnn[n-]3)C1)CC2 ZINC001363727662 982591618 /nfs/dbraw/zinc/59/16/18/982591618.db2.gz WDXIPFONYZFSOE-UWVGGRQHSA-N -1 0 302.342 -0.322 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001363765269 982618052 /nfs/dbraw/zinc/61/80/52/982618052.db2.gz PZZSSTZMOQJUPJ-QMMMGPOBSA-N -1 0 308.385 -0.888 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001363775568 982625320 /nfs/dbraw/zinc/62/53/20/982625320.db2.gz RGSSYOZLVRBEMQ-HTQZYQBOSA-N -1 0 302.356 -0.135 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)c1cccc(C(N)=O)n1 ZINC001363797510 982642056 /nfs/dbraw/zinc/64/20/56/982642056.db2.gz BNHRCFAZAQUBBI-UHFFFAOYSA-N -1 0 303.326 -0.008 20 0 DBADRM C[C@H](NC(=O)C[C@]1(C)CCS(=O)(=O)N1)c1nn(C)cc1[O-] ZINC001363842046 982670162 /nfs/dbraw/zinc/67/01/62/982670162.db2.gz SOGLTXWEERBYCI-UFBFGSQYSA-N -1 0 316.383 -0.225 20 0 DBADRM COC(=O)C[C@@]1(NS(=O)(=O)c2nncn2C)CCCOC1 ZINC001363864314 982678762 /nfs/dbraw/zinc/67/87/62/982678762.db2.gz ZVMIDAUFHPTCLM-NSHDSACASA-N -1 0 318.355 -0.794 20 0 DBADRM Cc1nc(CS(=O)(=O)NCC(=O)Nc2ccn(C)n2)no1 ZINC001363864159 982680069 /nfs/dbraw/zinc/68/00/69/982680069.db2.gz FLPPUPBMWHGOPI-UHFFFAOYSA-N -1 0 314.327 -0.830 20 0 DBADRM O=c1cnc2cc(S(=O)(=O)[N-]N3CCCNC3=O)ccc2[nH]1 ZINC001363878161 982686745 /nfs/dbraw/zinc/68/67/45/982686745.db2.gz DRQLMHQFPAQMBN-UHFFFAOYSA-N -1 0 323.334 -0.468 20 0 DBADRM CC[C@H]1CN(S(=O)(=O)c2ncc[n-]2)C[C@@H](C)S1(=O)=O ZINC001363882909 982690600 /nfs/dbraw/zinc/69/06/00/982690600.db2.gz UENBWDAUWQKLMR-BDAKNGLRSA-N -1 0 307.397 -0.004 20 0 DBADRM Cn1cc([C@@H]2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)nn1 ZINC001363915404 982716992 /nfs/dbraw/zinc/71/69/92/982716992.db2.gz WDKYNQNRUZQWJI-MRVPVSSYSA-N -1 0 307.314 -0.776 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@H]1CNC(=O)C1 ZINC001363946385 982742252 /nfs/dbraw/zinc/74/22/52/982742252.db2.gz UVJLJMJGZHZPSG-SSDOTTSWSA-N -1 0 302.308 -0.519 20 0 DBADRM O=c1nc(CNS(=O)(=O)C[C@H]2CC[C@@H](C3CC3)O2)[n-]o1 ZINC001363952048 982743567 /nfs/dbraw/zinc/74/35/67/982743567.db2.gz XALVGBBWVLLRIZ-BDAKNGLRSA-N -1 0 303.340 -0.260 20 0 DBADRM CNC(=O)N[C@@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001363965157 982753206 /nfs/dbraw/zinc/75/32/06/982753206.db2.gz AEMGWAQGESFGIY-SECBINFHSA-N -1 0 318.337 -0.444 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@]1(O)CCO[C@@H]1C ZINC001363971164 982756718 /nfs/dbraw/zinc/75/67/18/982756718.db2.gz RKGKCWIOQILNHL-ZJUUUORDSA-N -1 0 314.429 -0.132 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@@H](C)c2noc(C)n2)CC1=O ZINC001363983194 982765918 /nfs/dbraw/zinc/76/59/18/982765918.db2.gz ZZRIQVGFNKZOAN-CBAPKCEASA-N -1 0 302.356 -0.021 20 0 DBADRM Cc1nnc([C@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)o1 ZINC001363986087 982767844 /nfs/dbraw/zinc/76/78/44/982767844.db2.gz CKMGXOUCBSPCOQ-AHGSNSTDSA-N -1 0 311.389 -0.152 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC001363992537 982773169 /nfs/dbraw/zinc/77/31/69/982773169.db2.gz ICKWXLAABUXTOL-BDAKNGLRSA-N -1 0 300.315 -0.874 20 0 DBADRM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001364029493 982797473 /nfs/dbraw/zinc/79/74/73/982797473.db2.gz YVGGEXRTTAZJGK-SSDOTTSWSA-N -1 0 321.307 -0.732 20 0 DBADRM COC[C@H](NC(=O)c1cc2n(n1)CCC[C@@H]2O)c1nnn[n-]1 ZINC001364032999 982800625 /nfs/dbraw/zinc/80/06/25/982800625.db2.gz PMXNNJWLQKQFMP-WPRPVWTQSA-N -1 0 307.314 -0.659 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-]c1nnn(C)n1)C1CCOCC1 ZINC001364040007 982803760 /nfs/dbraw/zinc/80/37/60/982803760.db2.gz JOSIBACWBWFTKZ-VIFPVBQESA-N -1 0 305.360 -0.607 20 0 DBADRM Cn1cnnc1[C@@H](CO)NS(=O)(=O)CCOC(C)(C)C ZINC001364042810 982804720 /nfs/dbraw/zinc/80/47/20/982804720.db2.gz GGWSLNPBAQXVHL-SECBINFHSA-N -1 0 306.388 -0.417 20 0 DBADRM COC[C@@H](CS(=O)(=O)NCc1nc(C(N)=O)cs1)OC ZINC001364042719 982805255 /nfs/dbraw/zinc/80/52/55/982805255.db2.gz ZSMWFXZUUYLNOF-ZETCQYMHSA-N -1 0 323.396 -0.677 20 0 DBADRM CC(=O)N[C@@](C)(C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)C(C)C ZINC001364051763 982808215 /nfs/dbraw/zinc/80/82/15/982808215.db2.gz YOIOOSYPACHLFI-LLVKDONJSA-N -1 0 317.371 -0.303 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1Cc2nc(C)[nH]c(=O)c2C1 ZINC001364076559 982819310 /nfs/dbraw/zinc/81/93/10/982819310.db2.gz TZJLQDPVVTUFLV-SSDOTTSWSA-N -1 0 315.351 -0.055 20 0 DBADRM COC(=O)C1(NS(=O)(=O)Cc2cc(C)no2)CC(CO)C1 ZINC001364076082 982819886 /nfs/dbraw/zinc/81/98/86/982819886.db2.gz VBHXBPPDELUTQV-UHFFFAOYSA-N -1 0 318.351 -0.283 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NS(=O)(=O)N(C)C(C)C ZINC001364078582 982820005 /nfs/dbraw/zinc/82/00/05/982820005.db2.gz WIBLRKGJPPEPDN-VIFPVBQESA-N -1 0 310.372 -0.534 20 0 DBADRM CN(CCCNC(=O)CCn1ccnn1)Cc1n[nH]c(=O)[n-]1 ZINC001490181049 1014882849 /nfs/dbraw/zinc/88/28/49/1014882849.db2.gz JQBYSDAZKJLJNT-UHFFFAOYSA-N -1 0 308.346 -0.870 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)C(C)(F)F ZINC001532065385 1014882968 /nfs/dbraw/zinc/88/29/68/1014882968.db2.gz QTBSUQARCRDNSP-ZCFIWIBFSA-N -1 0 321.284 -0.787 20 0 DBADRM CSCC[C@H](NC(=O)CS(=O)(=O)C(C)C)c1nnn[n-]1 ZINC001364092062 982824654 /nfs/dbraw/zinc/82/46/54/982824654.db2.gz YHIFEGGTLQUWTF-QMMMGPOBSA-N -1 0 321.428 -0.067 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001364092726 982824679 /nfs/dbraw/zinc/82/46/79/982824679.db2.gz FNYQZVSPWRDDTP-FUKZOUPISA-N -1 0 318.333 -0.102 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCc2nc(CO)n[nH]2)cc1=O ZINC001364101943 982828192 /nfs/dbraw/zinc/82/81/92/982828192.db2.gz MUUBUEWWHRIXGB-UHFFFAOYSA-N -1 0 308.342 -0.698 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H](c2ncccn2)C1 ZINC001364111334 982830680 /nfs/dbraw/zinc/83/06/80/982830680.db2.gz SOUAHLDSFWOBNY-VIFPVBQESA-N -1 0 304.310 -0.115 20 0 DBADRM C[C@]1([C@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)COC(=O)N1 ZINC001364129344 982835427 /nfs/dbraw/zinc/83/54/27/982835427.db2.gz VGAXAENKILHEBE-WPPNPWJKSA-N -1 0 323.309 -0.367 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O ZINC001364130127 982835673 /nfs/dbraw/zinc/83/56/73/982835673.db2.gz PFUDBYQUTSPTAO-JTQLQIEISA-N -1 0 315.337 -0.176 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H]1CCCCS1(=O)=O ZINC001364133138 982837063 /nfs/dbraw/zinc/83/70/63/982837063.db2.gz OXXKFUPJYLAAAT-MRVPVSSYSA-N -1 0 302.360 -0.796 20 0 DBADRM NC(=O)c1cccc2c1CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001364145684 982839437 /nfs/dbraw/zinc/83/94/37/982839437.db2.gz IAVFCGGPMOKFJD-UHFFFAOYSA-N -1 0 317.305 -0.627 20 0 DBADRM CN(C(=O)c1cnn(CC(=O)NC2CCCC2)c1)c1nnn[n-]1 ZINC001364191501 982851219 /nfs/dbraw/zinc/85/12/19/982851219.db2.gz GFXGSOUHSDPMAC-UHFFFAOYSA-N -1 0 318.341 -0.268 20 0 DBADRM Cc1ccnc(C(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001490185954 1014885277 /nfs/dbraw/zinc/88/52/77/1014885277.db2.gz FJAJUHJWELGWPN-UHFFFAOYSA-N -1 0 305.342 -0.139 20 0 DBADRM COCCn1cc(C(=O)NCc2nc([O-])cc(=O)[nH]2)c(C)n1 ZINC001364207889 982855992 /nfs/dbraw/zinc/85/59/92/982855992.db2.gz RVKWHEAHODGBJZ-UHFFFAOYSA-N -1 0 307.310 -0.031 20 0 DBADRM O=C(NCc1nc([O-])cc(=O)[nH]1)c1cc2n(n1)CCC[C@@H]2O ZINC001364207741 982856697 /nfs/dbraw/zinc/85/66/97/982856697.db2.gz RJUBOXMFVBBJSP-VIFPVBQESA-N -1 0 305.294 -0.159 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCC[C@@H](C(=O)N(C)C)C1 ZINC001364241564 982867814 /nfs/dbraw/zinc/86/78/14/982867814.db2.gz WSWSMFLQOCHYCD-MRVPVSSYSA-N -1 0 324.337 -0.163 20 0 DBADRM Cc1[n-][nH]c(=O)c1Sc1nnc(-c2n[nH]c3c2CCC3)n1N ZINC001364278557 982881920 /nfs/dbraw/zinc/88/19/20/982881920.db2.gz HZUIVZHCZGQLSV-SECBINFHSA-N -1 0 318.366 -0.163 20 0 DBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC000926581124 982910042 /nfs/dbraw/zinc/91/00/42/982910042.db2.gz HKODOLIPXJFLHM-JTQLQIEISA-N -1 0 305.400 -0.336 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(C)(C)S(=O)(=O)CC1 ZINC001364367488 982942712 /nfs/dbraw/zinc/94/27/12/982942712.db2.gz HYGUYZSZINTMMX-UHFFFAOYSA-N -1 0 316.387 -0.454 20 0 DBADRM O=C(COCc1ccncc1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001364382537 982950326 /nfs/dbraw/zinc/95/03/26/982950326.db2.gz GXLGYJIJLSTXIU-NSHDSACASA-N -1 0 304.310 -0.289 20 0 DBADRM Cn1ccnc1COCC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001364382522 982952089 /nfs/dbraw/zinc/95/20/89/982952089.db2.gz GOYSWTDAOXYWKT-VIFPVBQESA-N -1 0 307.314 -0.950 20 0 DBADRM O=C([C@@H]1CCc2nccn2C1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001364382563 982952144 /nfs/dbraw/zinc/95/21/44/982952144.db2.gz HGPIEEONQUNBCQ-NXEZZACHSA-N -1 0 303.326 -0.441 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)c2cn(C)nn2)c1[O-] ZINC001532186940 1014896108 /nfs/dbraw/zinc/89/61/08/1014896108.db2.gz WTPWJTQPMSCRIN-ZETCQYMHSA-N -1 0 321.341 -0.652 20 0 DBADRM NC(=O)CN1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1=O ZINC001364436261 982980283 /nfs/dbraw/zinc/98/02/83/982980283.db2.gz VJURNTWIVHRJGZ-UHFFFAOYSA-N -1 0 321.362 -0.474 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@H](CO)[C@@H](O)c1cccnc1 ZINC001364442157 982990528 /nfs/dbraw/zinc/99/05/28/982990528.db2.gz BMCWJRKGEIZBIJ-MFKMUULPSA-N -1 0 306.326 -0.872 20 0 DBADRM Cn1ncc(NC(=O)N2CCC(c3nnn[n-]3)CC2)cc1=O ZINC001364448721 982995101 /nfs/dbraw/zinc/99/51/01/982995101.db2.gz AABSUAPHHUMOEP-UHFFFAOYSA-N -1 0 304.314 -0.295 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCC(c3nnn[n-]3)CC2)no1 ZINC001364527598 983039577 /nfs/dbraw/zinc/03/95/77/983039577.db2.gz FXPCWUQBQFPMSU-UHFFFAOYSA-N -1 0 306.282 -0.006 20 0 DBADRM O=C([C@@H]1CCCCS1(=O)=O)N1CCC(c2nnn[n-]2)CC1 ZINC001364528515 983040449 /nfs/dbraw/zinc/04/04/49/983040449.db2.gz KDJIGYWNFUHOFF-JTQLQIEISA-N -1 0 313.383 -0.127 20 0 DBADRM COC(=O)[C@H](CCC1OCCO1)NC(=O)c1c[n-]ncc1=O ZINC001364538738 983046275 /nfs/dbraw/zinc/04/62/75/983046275.db2.gz ZPZCTTQBOHDONA-VIFPVBQESA-N -1 0 311.294 -0.393 20 0 DBADRM O=C(C1CC2(C1)CS(=O)(=O)C2)N1CC[C@H](c2nnn[n-]2)C1 ZINC001364567445 983055341 /nfs/dbraw/zinc/05/53/41/983055341.db2.gz JHALHMJZZJVADK-QMMMGPOBSA-N -1 0 311.367 -0.660 20 0 DBADRM CN(C)[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(F)(F)F ZINC001364729427 983112248 /nfs/dbraw/zinc/11/22/48/983112248.db2.gz MUSLMYOYYFAXQZ-RXMQYKEDSA-N -1 0 309.248 -0.105 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001364739785 983114853 /nfs/dbraw/zinc/11/48/53/983114853.db2.gz GHDXJORTAQCBFA-RITPCOANSA-N -1 0 310.232 -0.085 20 0 DBADRM O=C(NCCN1CCNC1=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001364745859 983117861 /nfs/dbraw/zinc/11/78/61/983117861.db2.gz PUJPBVLQNBIUFG-SECBINFHSA-N -1 0 323.357 -0.576 20 0 DBADRM CNC(=O)C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC001364751456 983121016 /nfs/dbraw/zinc/12/10/16/983121016.db2.gz YENOHVYLRHZBTH-IBGZPJMESA-N -1 0 323.371 -0.137 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001364763684 983124279 /nfs/dbraw/zinc/12/42/79/983124279.db2.gz WGYKIZVZLRAYLG-SECBINFHSA-N -1 0 305.381 -0.250 20 0 DBADRM COc1cc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)sn1 ZINC001364797160 983140253 /nfs/dbraw/zinc/14/02/53/983140253.db2.gz HLTXHGCTFWTMMW-SECBINFHSA-N -1 0 318.424 -0.570 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)C1(C(=O)OC)CCC1)C(=O)OC ZINC001364807424 983144628 /nfs/dbraw/zinc/14/46/28/983144628.db2.gz USNKMZGHNWJPIW-MRVPVSSYSA-N -1 0 309.340 -0.811 20 0 DBADRM COC[C@H](NC(=O)Cn1c(C)c(C)sc1=O)c1nnn[n-]1 ZINC001364813170 983148444 /nfs/dbraw/zinc/14/84/44/983148444.db2.gz HSUJPWVNTYHUPK-QMMMGPOBSA-N -1 0 312.355 -0.456 20 0 DBADRM COC[C@H](NC(=O)C1CCN(CC(F)F)CC1)c1nnn[n-]1 ZINC001364813640 983149133 /nfs/dbraw/zinc/14/91/33/983149133.db2.gz JPUKONVTBHCURA-VIFPVBQESA-N -1 0 318.328 -0.020 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1nnn[n-]1 ZINC001364812610 983150527 /nfs/dbraw/zinc/15/05/27/983150527.db2.gz FBGDKIJLRXKLHY-MWLCHTKSSA-N -1 0 322.369 -0.206 20 0 DBADRM Cn1cc(CCC(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)nn1 ZINC001364818525 983154936 /nfs/dbraw/zinc/15/49/36/983154936.db2.gz LFUABECAYYUGTQ-JTQLQIEISA-N -1 0 304.358 -0.258 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)Cc2nnc3n2CCN(C)C3=O)c1[O-] ZINC001364825675 983158422 /nfs/dbraw/zinc/15/84/22/983158422.db2.gz MKGNERVUOLBOEW-UHFFFAOYSA-N -1 0 319.325 -0.627 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H]1CCN(C)C1=O ZINC001364827494 983159636 /nfs/dbraw/zinc/15/96/36/983159636.db2.gz VVFLMEZEAHMIPZ-MRVPVSSYSA-N -1 0 302.308 -0.425 20 0 DBADRM COCCc1noc(CN(C)S(=O)(=O)c2ncc[n-]2)n1 ZINC001364830301 983160792 /nfs/dbraw/zinc/16/07/92/983160792.db2.gz NXMVQQKBNGHCAT-UHFFFAOYSA-N -1 0 301.328 -0.198 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2cc([O-])cc(F)c2)O1 ZINC001364829641 983161231 /nfs/dbraw/zinc/16/12/31/983161231.db2.gz KQJPSIWMAQJXHE-ONGXEEELSA-N -1 0 318.326 -0.158 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1cc(OC)ns1 ZINC001364829182 983161463 /nfs/dbraw/zinc/16/14/63/983161463.db2.gz DDFSAMIBCOJBPL-QMMMGPOBSA-N -1 0 324.380 -0.505 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)NCC(=O)N=S(C)(C)=O ZINC001364867012 983177292 /nfs/dbraw/zinc/17/72/92/983177292.db2.gz MLGICRXLDKUERZ-MRVPVSSYSA-N -1 0 300.402 -0.415 20 0 DBADRM CNS(=O)(=O)C1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001364871995 983179111 /nfs/dbraw/zinc/17/91/11/983179111.db2.gz OUHBSYJRRFJXSP-UHFFFAOYSA-N -1 0 308.385 -0.888 20 0 DBADRM NC(=O)c1coc(C[N-]S(=O)(=O)c2cncc(F)c2)n1 ZINC001364907465 983195034 /nfs/dbraw/zinc/19/50/34/983195034.db2.gz IUEWPMSZCOFELF-UHFFFAOYSA-N -1 0 300.271 -0.214 20 0 DBADRM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nnn(C)n3)cc21 ZINC001364914552 983196389 /nfs/dbraw/zinc/19/63/89/983196389.db2.gz AJHLJNHEWLDVGA-UHFFFAOYSA-N -1 0 322.350 -0.080 20 0 DBADRM CCc1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)[nH]n1 ZINC001364939079 983205690 /nfs/dbraw/zinc/20/56/90/983205690.db2.gz FZKAHDZVPNSCPZ-UHFFFAOYSA-N -1 0 305.342 -0.246 20 0 DBADRM Cc1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cnn1 ZINC001364948196 983209226 /nfs/dbraw/zinc/20/92/26/983209226.db2.gz YEPPJWAYTJNEOM-UHFFFAOYSA-N -1 0 303.326 -0.433 20 0 DBADRM CC(=O)N1Cc2ccc(S(=O)(=O)[N-]c3nnn(C)n3)cc2C1 ZINC001364953344 983210564 /nfs/dbraw/zinc/21/05/64/983210564.db2.gz VWMHXOXOWYBYPT-UHFFFAOYSA-N -1 0 322.350 -0.127 20 0 DBADRM CC(C)n1nnc([N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC001364962900 983215003 /nfs/dbraw/zinc/21/50/03/983215003.db2.gz MIRYGQBEWTYBEG-SECBINFHSA-N -1 0 314.371 -0.241 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)[N-]c2nnn(C(C)C)n2)C1 ZINC001364965189 983215621 /nfs/dbraw/zinc/21/56/21/983215621.db2.gz WVALFEXQVHRQGK-OCAPTIKFSA-N -1 0 303.344 -0.053 20 0 DBADRM C[C@@]1(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CCNC1=O ZINC001364989293 983222480 /nfs/dbraw/zinc/22/24/80/983222480.db2.gz SNBWOGMKLXYIGC-CYBMUJFWSA-N -1 0 301.310 -0.917 20 0 DBADRM CCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC001364993496 983224163 /nfs/dbraw/zinc/22/41/63/983224163.db2.gz ZKIJVHKWRFPSAY-SSDOTTSWSA-N -1 0 319.339 -0.346 20 0 DBADRM COC[C@@H](O)C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC001364997642 983225450 /nfs/dbraw/zinc/22/54/50/983225450.db2.gz SNYQOOMEXSAXJR-APBUJDDRSA-N -1 0 322.408 -0.015 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)OC)C[C@H]21 ZINC001365056783 983244544 /nfs/dbraw/zinc/24/45/44/983244544.db2.gz UIHYQRLFNNOJCN-RGOKHQFPSA-N -1 0 308.342 -0.176 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCn2nc(C3CC3)cc2C1 ZINC001365063114 983245704 /nfs/dbraw/zinc/24/57/04/983245704.db2.gz JKPTYJHJAWOZBE-UHFFFAOYSA-N -1 0 304.310 -0.194 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)c1cc(F)c([O-])c(F)c1 ZINC001365065385 983247812 /nfs/dbraw/zinc/24/78/12/983247812.db2.gz OZYFIOBDUQEVOV-SSDOTTSWSA-N -1 0 309.290 -0.194 20 0 DBADRM CN1CCn2nc(C(=O)[N-]n3ccccc3=O)cc2S1(=O)=O ZINC001365194264 983291858 /nfs/dbraw/zinc/29/18/58/983291858.db2.gz XUZZEYJCHXHAJL-UHFFFAOYSA-N -1 0 323.334 -0.937 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001365197670 983294527 /nfs/dbraw/zinc/29/45/27/983294527.db2.gz PGSNLSCVENUPBU-MRVPVSSYSA-N -1 0 315.351 -0.052 20 0 DBADRM COC(=O)c1ncccc1S(=O)(=O)[N-]N1CCCNC1=O ZINC001365379629 983356272 /nfs/dbraw/zinc/35/62/72/983356272.db2.gz MKWPTWPIZMUACY-UHFFFAOYSA-N -1 0 314.323 -0.523 20 0 DBADRM COCC[C@H]([N-]S(=O)(=O)c1occc1C(=O)OC)C(N)=O ZINC001365381459 983357674 /nfs/dbraw/zinc/35/76/74/983357674.db2.gz JTSCHKHUPGTZDY-QMMMGPOBSA-N -1 0 320.323 -0.765 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)c1cccc(Cl)c1[O-] ZINC001365387548 983359858 /nfs/dbraw/zinc/35/98/58/983359858.db2.gz FBMAVICBJXOFCX-ZETCQYMHSA-N -1 0 309.727 -0.142 20 0 DBADRM COC(=O)[C@]1(NS(=O)(=O)c2nncn2C)CCSC1 ZINC001365390950 983360918 /nfs/dbraw/zinc/36/09/18/983360918.db2.gz UMPYWVLGRSUBBY-VIFPVBQESA-N -1 0 306.369 -0.858 20 0 DBADRM CCS(=O)(=O)N1CCN(S(=O)(=O)c2ncc[n-]2)[C@H](C)C1 ZINC001365400856 983366052 /nfs/dbraw/zinc/36/60/52/983366052.db2.gz WYSBEGSWJHWHCL-SECBINFHSA-N -1 0 322.412 -0.546 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@]1(O)CCO[C@H]1C ZINC001365406372 983367609 /nfs/dbraw/zinc/36/76/09/983367609.db2.gz QGUCGYOFEZJRCA-QPUJVOFHSA-N -1 0 319.335 -0.116 20 0 DBADRM Cn1cnnc1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365413040 983371352 /nfs/dbraw/zinc/37/13/52/983371352.db2.gz SAQQRVSRRCVPOZ-SSDOTTSWSA-N -1 0 313.343 -0.793 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@](C)(CO)C(=O)OC ZINC001365418040 983373577 /nfs/dbraw/zinc/37/35/77/983373577.db2.gz PGLCWRIILHZLOE-LLVKDONJSA-N -1 0 321.307 -0.732 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365424371 983376904 /nfs/dbraw/zinc/37/69/04/983376904.db2.gz KJKLPESQBFAOKI-MNOVXSKESA-N -1 0 324.385 -0.270 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC001365501119 983404565 /nfs/dbraw/zinc/40/45/65/983404565.db2.gz SQCMXKDCHIJARJ-MRVPVSSYSA-N -1 0 302.360 -0.939 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC001365503267 983404614 /nfs/dbraw/zinc/40/46/14/983404614.db2.gz SJDQNHKWJDHMTJ-UWVGGRQHSA-N -1 0 309.374 -0.117 20 0 DBADRM Cn1cc(NC(=O)N2CCC(n3c(=O)[n-][nH]c3=O)CC2)nn1 ZINC001365524295 983408218 /nfs/dbraw/zinc/40/82/18/983408218.db2.gz SENLVOKEWRQWHG-UHFFFAOYSA-N -1 0 308.302 -0.313 20 0 DBADRM O=C(c1ncccc1O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001365630973 983447531 /nfs/dbraw/zinc/44/75/31/983447531.db2.gz YGSBNTGHWJQYCU-UHFFFAOYSA-N -1 0 304.310 -0.431 20 0 DBADRM O=C(NC[C@@H]1CCCNC1=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365642866 983452760 /nfs/dbraw/zinc/45/27/60/983452760.db2.gz ZBWIBXYTNPRECL-VHSXEESVSA-N -1 0 322.369 -0.075 20 0 DBADRM CCN(C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1)C1CC1 ZINC001596128500 983473196 /nfs/dbraw/zinc/47/31/96/983473196.db2.gz OFUYLKDYHAAJHP-NXEZZACHSA-N -1 0 312.322 -0.671 20 0 DBADRM CCN(C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1)C1CC1 ZINC001596128506 983473509 /nfs/dbraw/zinc/47/35/09/983473509.db2.gz OFUYLKDYHAAJHP-UWVGGRQHSA-N -1 0 312.322 -0.671 20 0 DBADRM CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)OC ZINC001365678756 983476674 /nfs/dbraw/zinc/47/66/74/983476674.db2.gz IWCWTZXLSFCISS-SKLCBMLGSA-N -1 0 301.390 -0.653 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)OC ZINC001365683925 983478001 /nfs/dbraw/zinc/47/80/01/983478001.db2.gz IPSYZFKVVBTSQA-SECBINFHSA-N -1 0 323.367 -0.563 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CC(CO)C3)cc-2c(=O)[n-]1 ZINC001365683953 983478505 /nfs/dbraw/zinc/47/85/05/983478505.db2.gz JHTUHLNWLXJCBY-UHFFFAOYSA-N -1 0 312.307 -0.951 20 0 DBADRM Cc1nnsc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001365686030 983480210 /nfs/dbraw/zinc/48/02/10/983480210.db2.gz MKXCJWUVGDIMHJ-UHFFFAOYSA-N -1 0 309.355 -0.372 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN([C@H](C)C(=O)N(C)C)CC2)c1[O-] ZINC001365695420 983484283 /nfs/dbraw/zinc/48/42/83/983484283.db2.gz YTFRIXCAEOBBJC-SNVBAGLBSA-N -1 0 309.370 -0.342 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001365702228 983486811 /nfs/dbraw/zinc/48/68/11/983486811.db2.gz OOGXCSPVXNCDMQ-QMMMGPOBSA-N -1 0 308.385 -0.901 20 0 DBADRM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001365706909 983491089 /nfs/dbraw/zinc/49/10/89/983491089.db2.gz JGWHOKVOEDYDGT-DCXZOGHSSA-N -1 0 315.417 -0.265 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)N[C@H]1COC[C@H]1OC ZINC001365711866 983494671 /nfs/dbraw/zinc/49/46/71/983494671.db2.gz GKDQXEKOVZNANK-NKWVEPMBSA-N -1 0 322.364 -0.378 20 0 DBADRM Cc1ncc(CNS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)o1 ZINC001365713727 983495904 /nfs/dbraw/zinc/49/59/04/983495904.db2.gz WWCIPCZEXZRBFS-UHFFFAOYSA-N -1 0 300.296 -0.739 20 0 DBADRM CC[C@H](NS(=O)(=O)c1c(C)nn2cccnc12)C(=O)NC ZINC001365715080 983496062 /nfs/dbraw/zinc/49/60/62/983496062.db2.gz HNISWBMWUDNTTH-VIFPVBQESA-N -1 0 311.367 -0.159 20 0 DBADRM O=S(=O)(NCc1nnc(C2CC2)s1)[C@@H]1COC[C@H]1O ZINC001365714273 983496082 /nfs/dbraw/zinc/49/60/82/983496082.db2.gz DRNRWDDEIMUMRD-HTQZYQBOSA-N -1 0 305.381 -0.405 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@](C)(CO)C(=O)OC)o1 ZINC001365713455 983496742 /nfs/dbraw/zinc/49/67/42/983496742.db2.gz KUMGBKFMVNSEOA-NSHDSACASA-N -1 0 321.307 -0.732 20 0 DBADRM COC1([C@@H](C)NS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CCC1 ZINC001365715247 983496908 /nfs/dbraw/zinc/49/69/08/983496908.db2.gz NCOZFKFBXRIXOJ-MRVPVSSYSA-N -1 0 317.367 -0.278 20 0 DBADRM CCN(C(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1)C1CC1 ZINC001596143602 983497675 /nfs/dbraw/zinc/49/76/75/983497675.db2.gz QMLVGCVZNYXBLK-OLZOCXBDSA-N -1 0 323.393 -0.138 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H]1CCCN(C)C1=O ZINC001365721993 983502996 /nfs/dbraw/zinc/50/29/96/983502996.db2.gz ICFAFHDGSAZZSF-VIFPVBQESA-N -1 0 316.335 -0.035 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CC[C@@H]3CO)cc-2c(=O)[n-]1 ZINC001365741067 983517507 /nfs/dbraw/zinc/51/75/07/983517507.db2.gz AQEWJUBZYPKHCV-ZCFIWIBFSA-N -1 0 312.307 -0.809 20 0 DBADRM CCn1cc(C[N-]S(=O)(=O)N=S(C)(C)=O)c(=O)[nH]c1=O ZINC001365752901 983524294 /nfs/dbraw/zinc/52/42/94/983524294.db2.gz HYKNJXLLFKYVMH-UHFFFAOYSA-N -1 0 324.384 -0.969 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001365819080 983542851 /nfs/dbraw/zinc/54/28/51/983542851.db2.gz AVZKBHQROVKIIM-UHFFFAOYSA-N -1 0 320.313 -0.995 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)Cc3cnoc3)C2)nc1=O ZINC001365836902 983551570 /nfs/dbraw/zinc/55/15/70/983551570.db2.gz DIDDTFKSHKNCEN-HOMQSWHASA-N -1 0 320.353 -0.677 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)Cn2cccn2)c1[O-] ZINC001532890440 1014960933 /nfs/dbraw/zinc/96/09/33/1014960933.db2.gz YVPPFSNIILQAJY-UHFFFAOYSA-N -1 0 320.353 -0.149 20 0 DBADRM Cn1ccc(CCC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001365972700 983626789 /nfs/dbraw/zinc/62/67/89/983626789.db2.gz AGWQXVKCBQFPAQ-NSHDSACASA-N -1 0 319.369 -0.433 20 0 DBADRM Cn1nccc1CCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001365977241 983632094 /nfs/dbraw/zinc/63/20/94/983632094.db2.gz FCLUTJKJWYIAGQ-JTQLQIEISA-N -1 0 319.369 -0.433 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001533026157 1014983274 /nfs/dbraw/zinc/98/32/74/1014983274.db2.gz MVLBKTVGRMUGPW-BDAKNGLRSA-N -1 0 323.353 -0.141 20 0 DBADRM CNC(=O)CN(C)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001366582936 983869088 /nfs/dbraw/zinc/86/90/88/983869088.db2.gz DCNNXOVNHJMKTO-UHFFFAOYSA-N -1 0 307.310 -0.664 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1cnc(C)o1 ZINC001366620099 983880418 /nfs/dbraw/zinc/88/04/18/983880418.db2.gz MPLNTQMKRLZIKP-UHFFFAOYSA-N -1 0 322.325 -0.169 20 0 DBADRM O=C(Cc1c[nH]cn1)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001366674770 983899337 /nfs/dbraw/zinc/89/93/37/983899337.db2.gz URNLEWVPSLGXJY-JTQLQIEISA-N -1 0 305.342 -0.443 20 0 DBADRM O=C(C[C@@H]1CCC(=O)N1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366696407 983923454 /nfs/dbraw/zinc/92/34/54/983923454.db2.gz LZKXUOMSAGJCIG-UWVGGRQHSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(CC1CC1)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001490478981 1014990888 /nfs/dbraw/zinc/99/08/88/1014990888.db2.gz TYMCPSGNZAOAQL-UHFFFAOYSA-N -1 0 308.386 -0.456 20 0 DBADRM Cc1c[nH]c(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)n1 ZINC001366754481 983971231 /nfs/dbraw/zinc/97/12/31/983971231.db2.gz IGFKTRKZFPOMMJ-UHFFFAOYSA-N -1 0 305.342 -0.064 20 0 DBADRM Cn1ccc(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)n1 ZINC001366764592 983972855 /nfs/dbraw/zinc/97/28/55/983972855.db2.gz YMYRFLYWZZQMSB-UHFFFAOYSA-N -1 0 305.342 -0.362 20 0 DBADRM Cn1cncc1CC(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001366760900 983973584 /nfs/dbraw/zinc/97/35/84/983973584.db2.gz YGTJMROXKJAFMC-UHFFFAOYSA-N -1 0 319.369 -0.433 20 0 DBADRM C[C@@H](F)CCN1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001366929951 984067163 /nfs/dbraw/zinc/06/71/63/984067163.db2.gz GVRACUSLNBVJSA-MRVPVSSYSA-N -1 0 313.333 -0.236 20 0 DBADRM O=C(Cc1ccc(F)cn1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366972937 984094116 /nfs/dbraw/zinc/09/41/16/984094116.db2.gz MNHNCJMRURYTBZ-UHFFFAOYSA-N -1 0 320.328 -0.165 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001367018390 984127657 /nfs/dbraw/zinc/12/76/57/984127657.db2.gz XTZPUCMSIGBZGT-VIFPVBQESA-N -1 0 324.385 -0.637 20 0 DBADRM Cc1ncc(CC(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)o1 ZINC001367513518 984328064 /nfs/dbraw/zinc/32/80/64/984328064.db2.gz HYWKJZGDTNVZQT-UHFFFAOYSA-N -1 0 308.342 -0.060 20 0 DBADRM CCn1cc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001367539550 984341538 /nfs/dbraw/zinc/34/15/38/984341538.db2.gz ADFPLPPZWZULCQ-UHFFFAOYSA-N -1 0 308.346 -0.674 20 0 DBADRM CCn1cnc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)c1 ZINC001367544213 984342410 /nfs/dbraw/zinc/34/24/10/984342410.db2.gz AEMVGINSNONPBF-UHFFFAOYSA-N -1 0 307.358 -0.069 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)C[C@@H]2C=CCC2)c1[O-] ZINC001533171265 1015035691 /nfs/dbraw/zinc/03/56/91/1015035691.db2.gz MUEWJQJBAAEMTP-MNOVXSKESA-N -1 0 322.365 -0.013 20 0 DBADRM C[C@@H](CNCc1ccon1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001367744547 984587720 /nfs/dbraw/zinc/58/77/20/984587720.db2.gz YSNDQJUAAHLJDO-VIFPVBQESA-N -1 0 324.341 -0.248 20 0 DBADRM Cc1c(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001367783104 984617836 /nfs/dbraw/zinc/61/78/36/984617836.db2.gz DVHWEHMXEHJNRT-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@@H](CN(C)CC(N)=O)NC(=O)c1n[n-]c2ccccc2c1=O ZINC001367833309 984683575 /nfs/dbraw/zinc/68/35/75/984683575.db2.gz QOBWASNEUJEREH-VIFPVBQESA-N -1 0 317.349 -0.129 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001367938959 984808969 /nfs/dbraw/zinc/80/89/69/984808969.db2.gz JVPDMDSXUXCSDX-IUCAKERBSA-N -1 0 309.326 -0.846 20 0 DBADRM Cc1c(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)cnn1C ZINC001367974998 984825305 /nfs/dbraw/zinc/82/53/05/984825305.db2.gz KUQCWUUGOGTLFB-UHFFFAOYSA-N -1 0 305.342 -0.396 20 0 DBADRM COc1cnc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)nc1 ZINC001368009973 984840739 /nfs/dbraw/zinc/84/07/39/984840739.db2.gz MHVHSHAUCBAPBK-UHFFFAOYSA-N -1 0 319.325 -0.639 20 0 DBADRM Cc1ncoc1CNC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001368037818 984851297 /nfs/dbraw/zinc/85/12/97/984851297.db2.gz PQGMXVMXRRMWKT-UHFFFAOYSA-N -1 0 322.325 -0.576 20 0 DBADRM C[C@@H](C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1)c1cnn(C)c1 ZINC001368045557 984853379 /nfs/dbraw/zinc/85/33/79/984853379.db2.gz NBABDIRUATUFNY-SECBINFHSA-N -1 0 319.369 -0.214 20 0 DBADRM C[C@@]1(NC(=O)Cn2cccn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368144621 984882990 /nfs/dbraw/zinc/88/29/90/984882990.db2.gz PFGYTIXSDOQJNW-CYBMUJFWSA-N -1 0 305.342 -0.512 20 0 DBADRM O=C(NCCn1cncn1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001368150892 984886510 /nfs/dbraw/zinc/88/65/10/984886510.db2.gz BBYWWTMYKYBLBZ-SECBINFHSA-N -1 0 306.330 -0.309 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)CC2(C)CC2)c1[O-] ZINC001533230124 1015083996 /nfs/dbraw/zinc/08/39/96/1015083996.db2.gz GWUGYVAUPFVONA-VIFPVBQESA-N -1 0 310.354 -0.179 20 0 DBADRM O=C(CCC1CC1)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368245442 984945499 /nfs/dbraw/zinc/94/54/99/984945499.db2.gz LJZCHUJWMVBBBA-CQSZACIVSA-N -1 0 309.370 -0.247 20 0 DBADRM O=C(Cc1ccc[nH]1)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368275165 985016744 /nfs/dbraw/zinc/01/67/44/985016744.db2.gz JYVUZIZJWZRJKU-AWEZNQCLSA-N -1 0 320.353 -0.866 20 0 DBADRM Cc1cocc1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368302435 985063164 /nfs/dbraw/zinc/06/31/64/985063164.db2.gz FBHPWLUGHTXLLK-UHFFFAOYSA-N -1 0 307.310 -0.612 20 0 DBADRM CN(C[C@H]1CCN1Cc1ccon1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001368439267 985178784 /nfs/dbraw/zinc/17/87/84/985178784.db2.gz VLISWYJXPIPWKF-SNVBAGLBSA-N -1 0 322.325 -0.590 20 0 DBADRM CC(F)(F)C(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001368608348 985304505 /nfs/dbraw/zinc/30/45/05/985304505.db2.gz MRRFUEMQZMRQDI-LBPRGKRZSA-N -1 0 319.312 -0.391 20 0 DBADRM COC[C@H](OC)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001368786065 985436534 /nfs/dbraw/zinc/43/65/34/985436534.db2.gz PNQXMPGPCGWSEA-UTLUCORTSA-N -1 0 313.358 -0.749 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NCc2cn(C)nn2)c1[O-] ZINC001368833319 985489415 /nfs/dbraw/zinc/48/94/15/985489415.db2.gz BIAHCYGBTWXZEJ-HTQZYQBOSA-N -1 0 307.358 -0.151 20 0 DBADRM C[C@@H](NCc1ccon1)[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001368891569 985550355 /nfs/dbraw/zinc/55/03/55/985550355.db2.gz FKEZVCXWWSWTEE-HTQZYQBOSA-N -1 0 310.314 -0.640 20 0 DBADRM Cc1cnc(CN[C@H](C)[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001368898933 985555144 /nfs/dbraw/zinc/55/51/44/985555144.db2.gz OQYNAHWPOYYKSN-RKDXNWHRSA-N -1 0 324.341 -0.331 20 0 DBADRM Cc1cc(OCC(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001368964695 985613043 /nfs/dbraw/zinc/61/30/43/985613043.db2.gz XBNHLYHJHJJFBU-MRVPVSSYSA-N -1 0 324.341 -0.178 20 0 DBADRM C[C@@H](CNC(=O)CCc1cnccn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001368993353 985635325 /nfs/dbraw/zinc/63/53/25/985635325.db2.gz CTTXQRJEFMSKMF-JTQLQIEISA-N -1 0 319.369 -0.130 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001368997911 985639340 /nfs/dbraw/zinc/63/93/40/985639340.db2.gz QWKFSKXGKVIWKI-MRVPVSSYSA-N -1 0 307.358 -0.279 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(CC(=O)NC(C)C)C2)c1[O-] ZINC001369068751 985694874 /nfs/dbraw/zinc/69/48/74/985694874.db2.gz DQHNVYAJAUYGCA-VIFPVBQESA-N -1 0 323.397 -0.002 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369165414 985784034 /nfs/dbraw/zinc/78/40/34/985784034.db2.gz QZWVRQJPNRORKG-QMMMGPOBSA-N -1 0 319.369 -0.279 20 0 DBADRM O=C(Cc1ccsc1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001369315924 985871574 /nfs/dbraw/zinc/87/15/74/985871574.db2.gz VEFNAPSFDNFHJN-SECBINFHSA-N -1 0 311.367 -0.619 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC/C=C\CNC(=O)C1CC=CC1 ZINC001533436783 1015175657 /nfs/dbraw/zinc/17/56/57/1015175657.db2.gz XJHONVZUUKARJO-ARJAWSKDSA-N -1 0 321.337 -0.556 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C(C)(F)F ZINC001533612304 1015203500 /nfs/dbraw/zinc/20/35/00/1015203500.db2.gz DEWMNWWIRCZDBY-ZCFIWIBFSA-N -1 0 318.280 -0.624 20 0 DBADRM Cc1nc[nH]c1C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001369526974 986270284 /nfs/dbraw/zinc/27/02/84/986270284.db2.gz XMWUSPRPFFYCNJ-VIFPVBQESA-N -1 0 323.357 -0.893 20 0 DBADRM Cc1nc[nH]c1C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001369526968 986273440 /nfs/dbraw/zinc/27/34/40/986273440.db2.gz XMWUSPRPFFYCNJ-SECBINFHSA-N -1 0 323.357 -0.893 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001369749813 986348810 /nfs/dbraw/zinc/34/88/10/986348810.db2.gz AHBHOMPWOKFTRP-UHFFFAOYSA-N -1 0 324.385 -0.589 20 0 DBADRM C[C@@H](CNC(=O)C(C)(F)F)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001369765513 986352160 /nfs/dbraw/zinc/35/21/60/986352160.db2.gz LZBOGMUYXUXFEG-YFKPBYRVSA-N -1 0 319.268 -0.485 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C1CCC1 ZINC001369901279 986438496 /nfs/dbraw/zinc/43/84/96/986438496.db2.gz KDOKYLBNIPWMRZ-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)CCCF ZINC001369915032 986455296 /nfs/dbraw/zinc/45/52/96/986455296.db2.gz ZVLIFJORXZQGQP-MRVPVSSYSA-N -1 0 317.321 -0.598 20 0 DBADRM CCCNC(=O)CN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001369965596 986508029 /nfs/dbraw/zinc/50/80/29/986508029.db2.gz BZQLRUSLSXQLDX-JTQLQIEISA-N -1 0 309.370 -0.246 20 0 DBADRM C[C@H](NC(=O)C(F)F)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001370069985 986584184 /nfs/dbraw/zinc/58/41/84/986584184.db2.gz BKQCHYDWJKBGTN-BYPYZUCNSA-N -1 0 317.252 -0.875 20 0 DBADRM C[C@@H](CN(C)C(=O)C(C)(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001370609678 986817811 /nfs/dbraw/zinc/81/78/11/986817811.db2.gz FDORSPBSNCSAFM-QMMMGPOBSA-N -1 0 313.358 -0.302 20 0 DBADRM CCNC(=O)NC1(C(=O)NC[C@@H](O)CC(=O)[O-])CCCC1 ZINC001596470713 1017151893 /nfs/dbraw/zinc/15/18/93/1017151893.db2.gz FJUFWFZPVVDYBN-VIFPVBQESA-N -1 0 301.343 -0.430 20 0 DBADRM Cc1cc(C(=O)NCCNC(=O)c2[nH]nc(C)c2[O-])n(C)n1 ZINC001491150461 1015260233 /nfs/dbraw/zinc/26/02/33/1015260233.db2.gz LWYNGUSLQBJXNL-UHFFFAOYSA-N -1 0 306.326 -0.375 20 0 DBADRM O=C([O-])C1(NC(=O)[C@H]2CCc3nncn3CC2)CCOCC1 ZINC001594723126 987218882 /nfs/dbraw/zinc/21/88/82/987218882.db2.gz FJALBKCBUYJDOX-JTQLQIEISA-N -1 0 308.338 -0.019 20 0 DBADRM C[C@H](CNC(=O)[C@H]1Cc2cccnc2C1)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001371443863 987348830 /nfs/dbraw/zinc/34/88/30/987348830.db2.gz SDWKUQKNSVNLKY-KOLCDFICSA-N -1 0 316.365 -0.085 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001596461615 1017152453 /nfs/dbraw/zinc/15/24/53/1017152453.db2.gz GUHVGCSIBVOMDN-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM CCC(=O)NCC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001371879037 987536045 /nfs/dbraw/zinc/53/60/45/987536045.db2.gz XUYKMURMKWMTMK-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CCN(C(=O)C2CC2)CC1 ZINC001372147511 987659987 /nfs/dbraw/zinc/65/99/87/987659987.db2.gz DXGKFFUCEASEAF-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM CCn1nc(C)c(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001372259462 987705299 /nfs/dbraw/zinc/70/52/99/987705299.db2.gz PSYMJPKYAGFEBF-UHFFFAOYSA-N -1 0 308.346 -0.708 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001372398839 987752407 /nfs/dbraw/zinc/75/24/07/987752407.db2.gz FIWORDYGBCJNQO-VXNVDRBHSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001372408259 987755525 /nfs/dbraw/zinc/75/55/25/987755525.db2.gz DDSSMEIBTIRCGL-QNSHHTMESA-N -1 0 323.353 -0.644 20 0 DBADRM CC[C@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001372591838 987816319 /nfs/dbraw/zinc/81/63/19/987816319.db2.gz UVRRVRJNJSEYEL-LPEHRKFASA-N -1 0 322.365 -0.091 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)CCn2cccn2)c1[O-] ZINC001372779289 987874083 /nfs/dbraw/zinc/87/40/83/987874083.db2.gz LEPCAHBRAYYLPY-SECBINFHSA-N -1 0 320.353 -0.055 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@]2(C)CNC(=O)C2)c1[O-] ZINC001372814105 987893536 /nfs/dbraw/zinc/89/35/36/987893536.db2.gz CTXPFNWJAPEXQQ-WJWGPLDTSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@]2(F)CCOC2)c1[O-] ZINC001372825159 987899526 /nfs/dbraw/zinc/89/95/26/987899526.db2.gz RFVBJXINUONEGZ-UHLUBPPHSA-N -1 0 314.317 -0.213 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CCNC(=O)c2cnnn2C)c1[O-] ZINC001373272932 988192592 /nfs/dbraw/zinc/19/25/92/988192592.db2.gz OZGFUWCMGKKMTH-SSDOTTSWSA-N -1 0 321.341 -0.509 20 0 DBADRM C[C@@H]1CCC[C@H]1CC(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001491358551 1015368856 /nfs/dbraw/zinc/36/88/56/1015368856.db2.gz MFOFHUFGQDSBSF-BDAKNGLRSA-N -1 0 323.353 -0.045 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001373310047 988218348 /nfs/dbraw/zinc/21/83/48/988218348.db2.gz MMGNFQKFNHSDHX-IWSPIJDZSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@H](CCNC(=O)C(C)(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001373339359 988240716 /nfs/dbraw/zinc/24/07/16/988240716.db2.gz XSVUNCKMBDIHGX-SSDOTTSWSA-N -1 0 311.342 -0.047 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)C[C@@H]2CCC(=O)N2)c1[O-] ZINC001373555794 988447354 /nfs/dbraw/zinc/44/73/54/988447354.db2.gz QBTOLIZGOSAINC-VIFPVBQESA-N -1 0 323.353 -0.719 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@H]1CC1(C)C ZINC001373584411 988469004 /nfs/dbraw/zinc/46/90/04/988469004.db2.gz BQNKGAZEKMPBEL-SSDOTTSWSA-N -1 0 309.326 -0.483 20 0 DBADRM CS[C@@H](C)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001373585370 988470350 /nfs/dbraw/zinc/47/03/50/988470350.db2.gz IPISKOBSEJVQSA-LURJTMIESA-N -1 0 315.355 -0.778 20 0 DBADRM CN(CCNC(=O)CCCF)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001373614469 988491794 /nfs/dbraw/zinc/49/17/94/988491794.db2.gz JGRHKLLYLOUPDS-UHFFFAOYSA-N -1 0 303.294 -0.986 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NCc1nnn(C)n1 ZINC001373741350 988578807 /nfs/dbraw/zinc/57/88/07/988578807.db2.gz JKOHPFQNPNJZCC-MRVPVSSYSA-N -1 0 308.346 -0.755 20 0 DBADRM CCN(CCNC(=O)[C@@H]1CC1(C)C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001373798343 988626876 /nfs/dbraw/zinc/62/68/76/988626876.db2.gz WHHNGYXIEUDFGV-QMMMGPOBSA-N -1 0 323.353 -0.093 20 0 DBADRM CCN(CCNC(=O)[C@H]1CC1(C)C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001373798337 988627765 /nfs/dbraw/zinc/62/77/65/988627765.db2.gz WHHNGYXIEUDFGV-MRVPVSSYSA-N -1 0 323.353 -0.093 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001596494822 1017154835 /nfs/dbraw/zinc/15/48/35/1017154835.db2.gz XRUJMXIQSWDRKY-KXUCPTDWSA-N -1 0 319.383 -0.570 20 0 DBADRM CCc1nn(C)cc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001374093516 988776246 /nfs/dbraw/zinc/77/62/46/988776246.db2.gz RDXLVMQENRSXPX-UHFFFAOYSA-N -1 0 319.369 -0.236 20 0 DBADRM CCn1nncc1CN1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001374280010 988845804 /nfs/dbraw/zinc/84/58/04/988845804.db2.gz LOKDNVOFOTWVIQ-UHFFFAOYSA-N -1 0 319.369 -0.007 20 0 DBADRM COCc1cc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001374540538 988904208 /nfs/dbraw/zinc/90/42/08/988904208.db2.gz XBBZLJIWYCZIQO-UHFFFAOYSA-N -1 0 324.341 -0.151 20 0 DBADRM CCOC(=O)[C@](C)(O)CNC(=O)Nc1cc(C(=O)[O-])nn1C ZINC001596516051 1017155042 /nfs/dbraw/zinc/15/50/42/1017155042.db2.gz JWUQGIKIAXHJPF-GFCCVEGCSA-N -1 0 314.298 -0.446 20 0 DBADRM CC[C@@H](C)[C@H](C)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001374726428 989172570 /nfs/dbraw/zinc/17/25/70/989172570.db2.gz MDXAYSMTSJFBHW-SFYZADRCSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1cc(C(=O)N[C@H](C)C[NH2+]Cc2nc(=O)n(C)[nH]2)n(C)n1 ZINC001374739181 989179163 /nfs/dbraw/zinc/17/91/63/989179163.db2.gz ULCVSDXTWFJSOR-SECBINFHSA-N -1 0 307.358 -0.942 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C[C@@H](C(=O)[O-])O1 ZINC001599864187 989217348 /nfs/dbraw/zinc/21/73/48/989217348.db2.gz UYCGXIOQMRLRKS-FOGDFJRCSA-N -1 0 324.337 -0.371 20 0 DBADRM CC[C@@H](C)C(=O)NCC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001374795004 989219868 /nfs/dbraw/zinc/21/98/68/989219868.db2.gz IGJWSWYIJXDAIB-SECBINFHSA-N -1 0 322.365 -0.280 20 0 DBADRM C[C@@H]1CN(CC(=O)N2CCOC[C@H]2C2CC2)C[C@@H](C(=O)[O-])O1 ZINC001599864987 989232433 /nfs/dbraw/zinc/23/24/33/989232433.db2.gz DWTQAQATROFXQK-WXHSDQCUSA-N -1 0 312.366 -0.202 20 0 DBADRM C[C@@H]1CN(CC(=O)NCC(=O)NC(C)(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599865087 989234936 /nfs/dbraw/zinc/23/49/36/989234936.db2.gz KLCPOHRQPHTQJI-ZJUUUORDSA-N -1 0 315.370 -0.809 20 0 DBADRM C[C@@H]1CN(C[C@H]2[C@H](C(=O)[O-])C2(F)F)CCN1S(C)(=O)=O ZINC001599865382 989243017 /nfs/dbraw/zinc/24/30/17/989243017.db2.gz AZXHNPSIXYQZBK-HRDYMLBCSA-N -1 0 312.338 -0.082 20 0 DBADRM COCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-] ZINC001374917843 989311331 /nfs/dbraw/zinc/31/13/31/989311331.db2.gz IKJCWNPQQKYFCF-UWVGGRQHSA-N -1 0 308.338 -0.114 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1nnc[nH]1 ZINC001375028496 989372720 /nfs/dbraw/zinc/37/27/20/989372720.db2.gz ZSTIDVNZDSLBGZ-QMMMGPOBSA-N -1 0 308.346 -0.802 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@](C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001536873732 1015471426 /nfs/dbraw/zinc/47/14/26/1015471426.db2.gz FRTHOOVVBLWFGE-MDDUGHTDSA-N -1 0 323.353 -0.237 20 0 DBADRM Cc1nc(CN(C)C[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)co1 ZINC001375077655 989414378 /nfs/dbraw/zinc/41/43/78/989414378.db2.gz YMGVMNZYIGYXEP-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM CCn1cnc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)c1 ZINC001375137489 989447888 /nfs/dbraw/zinc/44/78/88/989447888.db2.gz QRWQSIVCBDUGPP-SECBINFHSA-N -1 0 307.358 -0.023 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC12CC2 ZINC001375167568 989465999 /nfs/dbraw/zinc/46/59/99/989465999.db2.gz IJTWLSMRIUBYRR-HTQZYQBOSA-N -1 0 321.337 -0.293 20 0 DBADRM CO[N-]C(=O)CNC(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC001536984717 1015482562 /nfs/dbraw/zinc/48/25/62/1015482562.db2.gz KIPWPGJYPXWXHY-UHFFFAOYSA-N -1 0 305.290 -0.615 20 0 DBADRM Cc1ncc(CC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)o1 ZINC001375314045 989549615 /nfs/dbraw/zinc/54/96/15/989549615.db2.gz GQZRBNFRSRLQAG-VIFPVBQESA-N -1 0 306.326 -0.260 20 0 DBADRM CC(=O)NC[C@](C)(NC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001375378210 989582186 /nfs/dbraw/zinc/58/21/86/989582186.db2.gz MJZHYNYDEFETOY-AWEZNQCLSA-N -1 0 323.353 -0.364 20 0 DBADRM C[C@H]1COCC[C@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001375478550 989618991 /nfs/dbraw/zinc/61/89/91/989618991.db2.gz NBKSQYNYRDHQTE-VHSXEESVSA-N -1 0 309.370 -0.079 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@](O)(CNC(=O)C3CC3)C2)c1[O-] ZINC001537282023 1015494961 /nfs/dbraw/zinc/49/49/61/1015494961.db2.gz LIXGYXFKQZONDT-CQSZACIVSA-N -1 0 308.338 -0.473 20 0 DBADRM C[C@H](CNC(=O)C1=CCCC1)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001375679468 989739088 /nfs/dbraw/zinc/73/90/88/989739088.db2.gz DUTCEPCHLRWAMO-MRVPVSSYSA-N -1 0 321.337 -0.125 20 0 DBADRM C[C@@]1(NC(=O)C[C@@H]2COC(=O)C2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375819929 989810700 /nfs/dbraw/zinc/81/07/00/989810700.db2.gz JQCYUXUWVZXZPH-LKFCYVNXSA-N -1 0 323.353 -0.456 20 0 DBADRM C[C@]1(NC(=O)CCc2cn[nH]c2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375849431 989817344 /nfs/dbraw/zinc/81/73/44/989817344.db2.gz LYHDHBPIOWMCJV-AWEZNQCLSA-N -1 0 319.369 -0.053 20 0 DBADRM CC1(C)CC(C(=O)NC[C@@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001376037956 989851737 /nfs/dbraw/zinc/85/17/37/989851737.db2.gz PCCVECACFDSKQX-HNNXBMFYSA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(CCCF)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376045206 989856089 /nfs/dbraw/zinc/85/60/89/989856089.db2.gz BPMAJYBCIWLICN-LBPRGKRZSA-N -1 0 301.322 -0.687 20 0 DBADRM O=C(CCc1cn[nH]c1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376068673 989864864 /nfs/dbraw/zinc/86/48/64/989864864.db2.gz TWPFTVDCZOAHOO-NSHDSACASA-N -1 0 319.369 -0.053 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376080774 989870009 /nfs/dbraw/zinc/87/00/09/989870009.db2.gz NKDUOEMPMHXXKU-GPCCPHFNSA-N -1 0 309.370 -0.391 20 0 DBADRM CCOC(=O)C1(CC(=O)NCC(=O)[N-]OC)CCOCC1 ZINC001539091172 1015517430 /nfs/dbraw/zinc/51/74/30/1015517430.db2.gz KEXKORMUFZNHMH-UHFFFAOYSA-N -1 0 302.327 -0.470 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001539090940 1015518134 /nfs/dbraw/zinc/51/81/34/1015518134.db2.gz FVBIXCMVRWRHJU-SNVBAGLBSA-N -1 0 312.347 -0.259 20 0 DBADRM CCc1occc1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376162817 989924590 /nfs/dbraw/zinc/92/45/90/989924590.db2.gz NWSBMUNAIIRQHM-UHFFFAOYSA-N -1 0 321.337 -0.358 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CC[C@@H](F)C1 ZINC001376234597 989971110 /nfs/dbraw/zinc/97/11/10/989971110.db2.gz KMOPWOKDYOBVQX-DTWKUNHWSA-N -1 0 313.333 -0.689 20 0 DBADRM CC(=O)NCCCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001540680573 1015526267 /nfs/dbraw/zinc/52/62/67/1015526267.db2.gz LOABXXSMPNVYKL-UHFFFAOYSA-N -1 0 319.321 -0.478 20 0 DBADRM O=C(NCCn1ccnc1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001540772341 1015527100 /nfs/dbraw/zinc/52/71/00/1015527100.db2.gz SZCPEILIMIXQCW-UHFFFAOYSA-N -1 0 314.305 -0.107 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)c2ccnn2C)c1[O-] ZINC001491627575 1015529756 /nfs/dbraw/zinc/52/97/56/1015529756.db2.gz MTQPCHJFTSTZOZ-UHFFFAOYSA-N -1 0 306.326 -0.293 20 0 DBADRM CCN(CCCNC(=O)c1c[n-]ncc1=O)S(C)(=O)=O ZINC001542174273 1015530408 /nfs/dbraw/zinc/53/04/08/1015530408.db2.gz DTIPILVSYNLSDK-UHFFFAOYSA-N -1 0 302.356 -0.416 20 0 DBADRM CS(=O)(=O)CCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001542243514 1015531695 /nfs/dbraw/zinc/53/16/95/1015531695.db2.gz ZGGJHIVMRKPHSW-UHFFFAOYSA-N -1 0 306.344 -0.980 20 0 DBADRM CC(C)n1cnc(C(=O)NC[C@H](C)NCc2nc(=O)n(C)[nH]2)c1 ZINC001376789250 990320375 /nfs/dbraw/zinc/32/03/75/990320375.db2.gz STJCTWNXJZVCHI-JTQLQIEISA-N -1 0 321.385 -0.206 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)[C@]23C[C@H]2COC3)c1[O-] ZINC001491668883 1015557919 /nfs/dbraw/zinc/55/79/19/1015557919.db2.gz HSAVWOGAASCEBP-XPTSAGLGSA-N -1 0 308.338 -0.304 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@]23C[C@H]2COC3)c1[O-] ZINC001377025735 990420364 /nfs/dbraw/zinc/42/03/64/990420364.db2.gz KEJXEXDYCGDKNA-CMCSKWMBSA-N -1 0 308.338 -0.305 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CC1(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001377185699 990475872 /nfs/dbraw/zinc/47/58/72/990475872.db2.gz MIXQHWIUAMSSOF-UHNVWZDZSA-N -1 0 317.252 -0.828 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001377193190 990478962 /nfs/dbraw/zinc/47/89/62/990478962.db2.gz QJSNUUQPXFLJTF-LLVKDONJSA-N -1 0 324.385 -0.683 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC12CC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001377204077 990483024 /nfs/dbraw/zinc/48/30/24/990483024.db2.gz LFFHLDYAOCULGQ-HTQZYQBOSA-N -1 0 309.326 -0.890 20 0 DBADRM C[C@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001377205058 990483437 /nfs/dbraw/zinc/48/34/37/990483437.db2.gz UDZFGTHCBZQOPD-REIXXSIJSA-N -1 0 323.353 -0.644 20 0 DBADRM CN(CCNC(=O)CCc1cnn(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001377271189 990511227 /nfs/dbraw/zinc/51/12/27/990511227.db2.gz IYOKXQHECJWZCE-UHFFFAOYSA-N -1 0 307.358 -0.575 20 0 DBADRM CCN(CCNC(=O)c1ccc(OC)nn1)Cc1n[nH]c(=O)[n-]1 ZINC001377353469 990545260 /nfs/dbraw/zinc/54/52/60/990545260.db2.gz BVRZOHQOEOWDJB-UHFFFAOYSA-N -1 0 321.341 -0.439 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccnn2C)c1[O-] ZINC001548531177 1015583435 /nfs/dbraw/zinc/58/34/35/1015583435.db2.gz JHOBBGCELRZVIW-QPUJVOFHSA-N -1 0 318.337 -0.141 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001377852846 990757924 /nfs/dbraw/zinc/75/79/24/990757924.db2.gz QRAZMIDQBHVOSM-NKWVEPMBSA-N -1 0 309.326 -0.437 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CCNC(=O)NC(C)C)C2)c1[O-] ZINC001377878682 990769500 /nfs/dbraw/zinc/76/95/00/990769500.db2.gz DYOLHLMKUHLSPX-UHFFFAOYSA-N -1 0 324.385 -0.455 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N1CCO[C@H](CC(=O)[O-])C1)C(C)=O ZINC001596527472 1017157131 /nfs/dbraw/zinc/15/71/31/1017157131.db2.gz ZQQIDDSRGSVEAI-GHMZBOCLSA-N -1 0 315.322 -0.153 20 0 DBADRM O=C(CCc1cnccn1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378006524 990824763 /nfs/dbraw/zinc/82/47/63/990824763.db2.gz MZYSOMAUTMAXKA-UHFFFAOYSA-N -1 0 317.353 -0.519 20 0 DBADRM C[C@@H](CNC(=O)C1CCC(O)CC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001378036997 990833534 /nfs/dbraw/zinc/83/35/34/990833534.db2.gz JQQOCBNZLCKOSW-WHXUTIOJSA-N -1 0 311.386 -0.002 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1ccn(C)n1 ZINC001378086112 990851701 /nfs/dbraw/zinc/85/17/01/990851701.db2.gz SOJZTUBEPUYWPS-QMMMGPOBSA-N -1 0 321.341 -0.733 20 0 DBADRM C[C@@H](CNC(=O)c1cccn(C)c1=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001378195625 990879848 /nfs/dbraw/zinc/87/98/48/990879848.db2.gz KQUUYZGJZVSUKF-VIFPVBQESA-N -1 0 320.353 -0.541 20 0 DBADRM C[C@H](CNC(=O)c1cccn(C)c1=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001378195593 990880030 /nfs/dbraw/zinc/88/00/30/990880030.db2.gz KQUUYZGJZVSUKF-SECBINFHSA-N -1 0 320.353 -0.541 20 0 DBADRM CC(C)CC(=O)NC[C@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001378221292 990885934 /nfs/dbraw/zinc/88/59/34/990885934.db2.gz PTPHNJFHJFXDPD-SNVBAGLBSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001378226141 990888005 /nfs/dbraw/zinc/88/80/05/990888005.db2.gz BAJXOXQYBPHAHC-MWLCHTKSSA-N -1 0 324.385 -0.542 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1C(=O)CC1CCC1 ZINC001378467134 990978998 /nfs/dbraw/zinc/97/89/98/990978998.db2.gz BUNRXYHKTFMRIX-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@H](NC(=O)Cc1ncc[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378566849 991040775 /nfs/dbraw/zinc/04/07/75/991040775.db2.gz ZAGANFVQSOEYGS-QMMMGPOBSA-N -1 0 305.342 -0.587 20 0 DBADRM CC[C@@H](OC)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001378637823 991076756 /nfs/dbraw/zinc/07/67/56/991076756.db2.gz DDZVDABFEHIIAP-VHSXEESVSA-N -1 0 313.358 -0.748 20 0 DBADRM CC(C)CC(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001378976546 991257123 /nfs/dbraw/zinc/25/71/23/991257123.db2.gz IDDOMZAVNOXIKJ-UHFFFAOYSA-N -1 0 309.326 -0.293 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)[C@H]2CCCNC2=O)c1[O-] ZINC001379043317 991297748 /nfs/dbraw/zinc/29/77/48/991297748.db2.gz UVNOJHXYOFJWGT-JTQLQIEISA-N -1 0 309.370 -0.294 20 0 DBADRM Cc1nocc1CN(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001379071593 991314505 /nfs/dbraw/zinc/31/45/05/991314505.db2.gz WBRYXSLONZJAAT-UHFFFAOYSA-N -1 0 322.325 -0.217 20 0 DBADRM CCC1(C(=O)NCC2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)CC1 ZINC001379090452 991328972 /nfs/dbraw/zinc/32/89/72/991328972.db2.gz GMXHWQYCEXVUBG-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001379233981 991460235 /nfs/dbraw/zinc/46/02/35/991460235.db2.gz ZLXJEYRVCBMCEE-IVZWLZJFSA-N -1 0 311.386 -0.241 20 0 DBADRM CCOC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001596534573 1017158331 /nfs/dbraw/zinc/15/83/31/1017158331.db2.gz KPTYHRDZZUAEOQ-ZCFIWIBFSA-N -1 0 307.280 -0.820 20 0 DBADRM CCOC(=O)C1(CC(=O)NCC[C@H](O)C(=O)[O-])CCOCC1 ZINC001596553253 1017158448 /nfs/dbraw/zinc/15/84/48/1017158448.db2.gz UTMOBNDOPWPTPG-JTQLQIEISA-N -1 0 317.338 -0.312 20 0 DBADRM CCOC(=O)C1(C(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)CC1 ZINC001596542362 1017158602 /nfs/dbraw/zinc/15/86/02/1017158602.db2.gz ATLUKMKBPRZLMR-DTWKUNHWSA-N -1 0 313.306 -0.338 20 0 DBADRM Cc1cc(CN[C@@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])on1 ZINC001379393829 991622785 /nfs/dbraw/zinc/62/27/85/991622785.db2.gz DVLLVUCODMUYKZ-SECBINFHSA-N -1 0 309.326 -0.399 20 0 DBADRM CC1(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)CC(F)(F)C1 ZINC001379501988 991736885 /nfs/dbraw/zinc/73/68/85/991736885.db2.gz BPZIAAIFEUFYNN-SSDOTTSWSA-N -1 0 319.312 -0.488 20 0 DBADRM Cc1cc(F)ccc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001379503772 991739744 /nfs/dbraw/zinc/73/97/44/991739744.db2.gz ITFJWCFTYMMIFW-SNVBAGLBSA-N -1 0 323.328 -0.162 20 0 DBADRM O=C([C@@H]1COCCN1CC(F)F)N1CC[C@H](c2nnn[n-]2)C1 ZINC001548764101 1015670563 /nfs/dbraw/zinc/67/05/63/1015670563.db2.gz DTSYKHMTKFOAIE-IUCAKERBSA-N -1 0 316.312 -0.519 20 0 DBADRM Cc1occc1C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001379891001 992007802 /nfs/dbraw/zinc/00/78/02/992007802.db2.gz SOLIGNVZFUEBDE-JTQLQIEISA-N -1 0 323.353 -0.023 20 0 DBADRM Cc1nc(CN2CC[C@@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001380031029 992105755 /nfs/dbraw/zinc/10/57/55/992105755.db2.gz NROZBOUSXMPPDO-SNVBAGLBSA-N -1 0 322.325 -0.624 20 0 DBADRM O=C(NCC1(NCc2cscn2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001380102644 992142753 /nfs/dbraw/zinc/14/27/53/992142753.db2.gz DNFBJOWWSCUECX-UHFFFAOYSA-N -1 0 322.350 -0.209 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NCC1(NCc2cn(C)nn2)CC1 ZINC001380128040 992163464 /nfs/dbraw/zinc/16/34/64/992163464.db2.gz KOSAZPHVTDDEQZ-UHFFFAOYSA-N -1 0 317.353 -0.329 20 0 DBADRM CCCC(=O)N(C)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001491995436 1015689210 /nfs/dbraw/zinc/68/92/10/1015689210.db2.gz NPMTWAKEUOMVLT-VIFPVBQESA-N -1 0 311.342 -0.451 20 0 DBADRM O=C(CCCn1cncn1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001380159621 992182132 /nfs/dbraw/zinc/18/21/32/992182132.db2.gz KPBWUHPTJGIQTR-UHFFFAOYSA-N -1 0 320.357 -0.679 20 0 DBADRM C[C@H](OCC1CC1)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380214262 992200132 /nfs/dbraw/zinc/20/01/32/992200132.db2.gz FZQXBLJWDVRENL-VIFPVBQESA-N -1 0 309.370 -0.032 20 0 DBADRM NC(=O)[C@@H]1CCO[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001549039899 1015693501 /nfs/dbraw/zinc/69/35/01/1015693501.db2.gz DBKXFUIOANLPPL-NOOOWODRSA-N -1 0 310.350 -0.164 20 0 DBADRM C[C@@]1(NC(=O)CCCC(N)=O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380397867 992300446 /nfs/dbraw/zinc/30/04/46/992300446.db2.gz YBJZFJYJDHLMKN-CYBMUJFWSA-N -1 0 310.358 -0.754 20 0 DBADRM CC(=O)NCC(=O)NC[C@]1(C)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380466778 992322519 /nfs/dbraw/zinc/32/25/19/992322519.db2.gz YPTPPUAMYIJGOX-AWEZNQCLSA-N -1 0 324.385 -0.635 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)NC(=O)C1(C)CC1 ZINC001380476430 992327026 /nfs/dbraw/zinc/32/70/26/992327026.db2.gz RGQLAKQUDJOUKH-YUMQZZPRSA-N -1 0 311.342 -0.501 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1(C2CC2)CC1 ZINC001380535806 992366769 /nfs/dbraw/zinc/36/67/69/992366769.db2.gz IAJURMCYMIYZDF-AWEZNQCLSA-N -1 0 321.381 -0.247 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)N2CCOCC2)C[C@@H]1C1CC1 ZINC001549086559 1015702148 /nfs/dbraw/zinc/70/21/48/1015702148.db2.gz LDRVGAZEGWDQLV-MNOVXSKESA-N -1 0 304.368 -0.394 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](C(=O)N3CCOCC3)[C@H](C)C2)c1[O-] ZINC001549168426 1015708011 /nfs/dbraw/zinc/70/80/11/1015708011.db2.gz LTQYHPABGUGXOL-KOLCDFICSA-N -1 0 322.365 -0.009 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNC(=O)Cc2cc[nH]n2)c1[O-] ZINC001380660337 992467306 /nfs/dbraw/zinc/46/73/06/992467306.db2.gz VBYVGFVMIGTOGJ-QMMMGPOBSA-N -1 0 320.353 -0.034 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549219220 1015709898 /nfs/dbraw/zinc/70/98/98/1015709898.db2.gz AXBPTPAJZPOROH-OTYXRUKQSA-N -1 0 307.306 -0.703 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001549180607 1015710161 /nfs/dbraw/zinc/71/01/61/1015710161.db2.gz GFBFVOXWNKIMEY-WZRBSPASSA-N -1 0 318.395 -0.004 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)Cn2nccn2)c1[O-] ZINC001380687222 992477274 /nfs/dbraw/zinc/47/72/74/992477274.db2.gz OVNOJCGNYNHNGM-QMMMGPOBSA-N -1 0 321.341 -0.708 20 0 DBADRM CNc1nc(C)cc(C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001549222097 1015712846 /nfs/dbraw/zinc/71/28/46/1015712846.db2.gz LYUAPLGPDGHKFK-OTYXRUKQSA-N -1 0 306.322 0.000 20 0 DBADRM CC(C)(C)n1nnc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001549230482 1015712886 /nfs/dbraw/zinc/71/28/86/1015712886.db2.gz WXEJJSCQCUGUNP-SDBXPKJASA-N -1 0 309.326 -0.399 20 0 DBADRM NC(=O)c1cc(Cl)nnc1N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549300564 1015718685 /nfs/dbraw/zinc/71/86/85/1015718685.db2.gz YCPVEQSTOMXZCW-QTTZVWFDSA-N -1 0 312.713 -0.234 20 0 DBADRM O=C(CC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)NCC(F)(F)F ZINC001549306044 1015722225 /nfs/dbraw/zinc/72/22/25/1015722225.db2.gz OIRSTXUPLGADGQ-CPCISQLKSA-N -1 0 324.255 -0.385 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1CCC(=O)NC1)Cc1n[nH]c(=O)[n-]1 ZINC001380971665 992615216 /nfs/dbraw/zinc/61/52/16/992615216.db2.gz OGWMNIFKRCTTNE-JTQLQIEISA-N -1 0 324.385 -0.683 20 0 DBADRM Cc1nnc(CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)o1 ZINC001381082850 992654975 /nfs/dbraw/zinc/65/49/75/992654975.db2.gz KTNVJTAJKOKLGW-UHFFFAOYSA-N -1 0 307.314 -0.911 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2C[C@H](c3nnc[nH]3)C[C@@H]2O)c1[O-] ZINC001549517233 1015730981 /nfs/dbraw/zinc/73/09/81/1015730981.db2.gz CCKHJVVRYGLJTB-CIUDSAMLSA-N -1 0 306.326 -0.174 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2C[C@@H](c3nnc[nH]3)C[C@H]2O)c1[O-] ZINC001549517234 1015731584 /nfs/dbraw/zinc/73/15/84/1015731584.db2.gz CCKHJVVRYGLJTB-HRDYMLBCSA-N -1 0 306.326 -0.174 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2C[C@H](c3nnc[nH]3)C[C@H]2O)c1[O-] ZINC001549517235 1015732274 /nfs/dbraw/zinc/73/22/74/1015732274.db2.gz CCKHJVVRYGLJTB-XHNCKOQMSA-N -1 0 306.326 -0.174 20 0 DBADRM COc1cc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)nn1C ZINC001381542975 992832553 /nfs/dbraw/zinc/83/25/53/992832553.db2.gz IFEKZEWOKYHXFV-QMMMGPOBSA-N -1 0 323.357 -0.497 20 0 DBADRM C[C@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)N(C)[C@@H](C)C(N)=O ZINC001381607867 992847677 /nfs/dbraw/zinc/84/76/77/992847677.db2.gz KXVALIXSJODIPI-SFYZADRCSA-N -1 0 321.337 -0.148 20 0 DBADRM C[C@@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)N(C)[C@@H](C)C(N)=O ZINC001381607868 992848898 /nfs/dbraw/zinc/84/88/98/992848898.db2.gz KXVALIXSJODIPI-YUMQZZPRSA-N -1 0 321.337 -0.148 20 0 DBADRM CCC(=O)NC1(CCO)CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001381635068 992854905 /nfs/dbraw/zinc/85/49/05/992854905.db2.gz VJAVWUKWFRYXIS-UHFFFAOYSA-N -1 0 319.365 -0.514 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CCO)CN(C[C@@H]3CCOC3)C2)c1[O-] ZINC001381658161 992860776 /nfs/dbraw/zinc/86/07/76/992860776.db2.gz GLXFWOUFBHWJJC-NSHDSACASA-N -1 0 324.381 -0.373 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc[nH]1 ZINC001381675908 992864712 /nfs/dbraw/zinc/86/47/12/992864712.db2.gz PUIJLLHDWNGMJO-UHFFFAOYSA-N -1 0 306.326 -0.795 20 0 DBADRM Cc1cnn(CC(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001381795900 992882376 /nfs/dbraw/zinc/88/23/76/992882376.db2.gz YTIQYXOOGSAJPQ-JTQLQIEISA-N -1 0 319.369 -0.348 20 0 DBADRM C[C@H](CN(C)C(=O)C(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001381795682 992882459 /nfs/dbraw/zinc/88/24/59/992882459.db2.gz PRXWZPFDWPDPQS-SCSAIBSYSA-N -1 0 305.241 -0.875 20 0 DBADRM C[C@@H](CN(C)C(=O)CC1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001381799975 992884670 /nfs/dbraw/zinc/88/46/70/992884670.db2.gz CCFQQUXAVLVNOZ-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM CC[C@@H](C)C(=O)N(C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001381859252 992899546 /nfs/dbraw/zinc/89/95/46/992899546.db2.gz LMPPWGCPQHMSTK-HTQZYQBOSA-N -1 0 311.342 -0.094 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)c2cnon2)c1[O-] ZINC001381951701 992933891 /nfs/dbraw/zinc/93/38/91/992933891.db2.gz ZVSPHYLRZPJMMB-LURJTMIESA-N -1 0 308.298 -0.303 20 0 DBADRM CN(CCNC(=O)CC(C)(C)O)Cc1cc(=O)n2[n-]ccc2n1 ZINC001492237413 1015747532 /nfs/dbraw/zinc/74/75/32/1015747532.db2.gz KRISBXLSSAUQOS-UHFFFAOYSA-N -1 0 321.381 -0.268 20 0 DBADRM CCC(=O)NCCCN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001492242165 1015749392 /nfs/dbraw/zinc/74/93/92/1015749392.db2.gz MGQJUQBUIPWGKG-UHFFFAOYSA-N -1 0 311.342 -0.410 20 0 DBADRM CC[C@H](F)C(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001382120742 992996673 /nfs/dbraw/zinc/99/66/73/992996673.db2.gz LXMVPKXLWYWWRT-BQBZGAKWSA-N -1 0 315.305 -0.392 20 0 DBADRM O=C(N[C@@]1(CO)COc2ccccc2C1)c1n[nH]c(=O)[n-]c1=O ZINC001549652830 1015751914 /nfs/dbraw/zinc/75/19/14/1015751914.db2.gz DPNVOSOERHHDQX-AWEZNQCLSA-N -1 0 318.289 -0.621 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCOC[C@H]1CC(=O)[O-] ZINC001596615598 1017163015 /nfs/dbraw/zinc/16/30/15/1017163015.db2.gz AEKVNGJJAMSHEY-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)Cc2ncc[nH]2)c1[O-] ZINC001382192802 993038097 /nfs/dbraw/zinc/03/80/97/993038097.db2.gz SBGCKGTYZNEUEK-MRVPVSSYSA-N -1 0 320.353 -0.034 20 0 DBADRM CC(C)(CC(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001382199731 993045612 /nfs/dbraw/zinc/04/56/12/993045612.db2.gz CTGHRMQNOJVBOS-SNVBAGLBSA-N -1 0 311.386 -0.097 20 0 DBADRM CCn1ccc(CC(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001492256875 1015755195 /nfs/dbraw/zinc/75/51/95/1015755195.db2.gz KUXZDLNNDNDJNM-UHFFFAOYSA-N -1 0 307.358 -0.483 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H]1CCCC12CC2 ZINC001382217965 993063105 /nfs/dbraw/zinc/06/31/05/993063105.db2.gz SUGGMKJMXZLGNO-VHSXEESVSA-N -1 0 309.370 -0.343 20 0 DBADRM C[C@H](C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccco1 ZINC001382242032 993082922 /nfs/dbraw/zinc/08/29/22/993082922.db2.gz DECROGUIADAXDN-DTWKUNHWSA-N -1 0 309.326 -0.526 20 0 DBADRM CC1(C)CC[C@H](C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)C1 ZINC001382255726 993095072 /nfs/dbraw/zinc/09/50/72/993095072.db2.gz QODFSADKOYWPDB-UWVGGRQHSA-N -1 0 311.386 -0.097 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)C2=COCCC2)c1[O-] ZINC001382390127 993197880 /nfs/dbraw/zinc/19/78/80/993197880.db2.gz JMDHYYHSECUTNR-JTQLQIEISA-N -1 0 324.337 -0.675 20 0 DBADRM CCOC(=O)CCCNC(=O)Cn1cnc(C(=O)[O-])cc1=O ZINC001596603405 1017163517 /nfs/dbraw/zinc/16/35/17/1017163517.db2.gz BCFMMRGWSIEUTR-UHFFFAOYSA-N -1 0 311.294 -0.599 20 0 DBADRM Cc1nc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)c(=O)[nH]c1C ZINC001492299579 1015769571 /nfs/dbraw/zinc/76/95/71/1015769571.db2.gz XYHMXAZPHOREJV-UHFFFAOYSA-N -1 0 321.341 -0.515 20 0 DBADRM CCN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](c2cncn2C)C1 ZINC001549895445 1015773362 /nfs/dbraw/zinc/77/33/62/1015773362.db2.gz WFHIVNXFLOFGEQ-NXEZZACHSA-N -1 0 316.383 -0.283 20 0 DBADRM COCCN(CCNC(=O)c1ocnc1C)Cc1n[nH]c(=O)[n-]1 ZINC001382545744 993342308 /nfs/dbraw/zinc/34/23/08/993342308.db2.gz WJCVEFRLLKJBPR-UHFFFAOYSA-N -1 0 324.341 -0.315 20 0 DBADRM Cc1nc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)oc1C ZINC001492324340 1015778524 /nfs/dbraw/zinc/77/85/24/1015778524.db2.gz WQCXNBVHFUHWPQ-UHFFFAOYSA-N -1 0 322.325 -0.251 20 0 DBADRM CC(=O)N[C@H](C)[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001382697530 993402865 /nfs/dbraw/zinc/40/28/65/993402865.db2.gz ACIBACNPVZYDPT-HTQZYQBOSA-N -1 0 306.326 -0.900 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NC(=O)C2=COCCO2)c1[O-] ZINC001382717356 993406747 /nfs/dbraw/zinc/40/67/47/993406747.db2.gz GHZWWDNCJHXXIP-JGVFFNPUSA-N -1 0 324.337 -0.065 20 0 DBADRM CCCC(=O)NC[C@H](C)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001382888837 993436300 /nfs/dbraw/zinc/43/63/00/993436300.db2.gz RSYURIALKQOICA-VIFPVBQESA-N -1 0 310.354 -0.137 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CN(C)C(=O)C2CC2)c1[O-] ZINC001383105660 993543081 /nfs/dbraw/zinc/54/30/81/993543081.db2.gz QYGLSUCUWPUYIV-SNVBAGLBSA-N -1 0 310.354 -0.275 20 0 DBADRM CC(C)(C)[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC1 ZINC001383196404 993578158 /nfs/dbraw/zinc/57/81/58/993578158.db2.gz MEFFDJRLLJGGOH-QMMMGPOBSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@H](CN(C)C(=O)C1=CCCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001383697189 993717948 /nfs/dbraw/zinc/71/79/48/993717948.db2.gz SUGXXBUFRDYJMS-SECBINFHSA-N -1 0 323.353 -0.237 20 0 DBADRM CC(C)N1C(=O)CC[C@@H]1C(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001550346609 1015802426 /nfs/dbraw/zinc/80/24/26/1015802426.db2.gz RFELUQMSXGMXEP-FIXISWKDSA-N -1 0 310.350 -0.055 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)CNC(=O)N1CCCC1)C2 ZINC001550345748 1015802566 /nfs/dbraw/zinc/80/25/66/1015802566.db2.gz MBBIQPZBGFRYAB-YGRLFVJLSA-N -1 0 311.338 -0.649 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)c1ccnc3ccnn31)C2 ZINC001550345897 1015803004 /nfs/dbraw/zinc/80/30/04/1015803004.db2.gz NBDPOCSBMROYPO-LKFCYVNXSA-N -1 0 302.290 -0.098 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N2C[C@H](C(=O)[O-])[C@H](C3CC3)C2)cn1 ZINC001550373438 1015803694 /nfs/dbraw/zinc/80/36/94/1015803694.db2.gz SEXIOVOEAZAIHH-AVGNSLFASA-N -1 0 307.350 -0.107 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CC1CC1 ZINC001383782128 993744834 /nfs/dbraw/zinc/74/48/34/993744834.db2.gz DPEKGMQRUWACGU-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CCCF ZINC001383782581 993744849 /nfs/dbraw/zinc/74/48/49/993744849.db2.gz OWBSWRIRMXRQEG-ZETCQYMHSA-N -1 0 315.305 -0.391 20 0 DBADRM CC(=O)N[C@H](C)CN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001383795417 993749544 /nfs/dbraw/zinc/74/95/44/993749544.db2.gz WEZQNJQWHYLOGX-MRVPVSSYSA-N -1 0 306.326 -0.946 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(CCNC(=O)C2CC2)CC1 ZINC001383837420 993759423 /nfs/dbraw/zinc/75/94/23/993759423.db2.gz NCPGZVHJERDZSA-UHFFFAOYSA-N -1 0 323.353 -0.498 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001383877817 993800591 /nfs/dbraw/zinc/80/05/91/993800591.db2.gz LJQZHPRULVEWTB-CBAPKCEASA-N -1 0 314.342 -0.944 20 0 DBADRM CCC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001383948846 993859321 /nfs/dbraw/zinc/85/93/21/993859321.db2.gz OLLDYXOLUYMIOY-DTWKUNHWSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@]23C[C@H]2CCC3)c1[O-] ZINC001383997876 993894927 /nfs/dbraw/zinc/89/49/27/993894927.db2.gz PMGGZEBCPBREQM-IQMDTDKHSA-N -1 0 322.365 -0.179 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NS(=O)(=O)N3CCOCC3)[C@H]2C1 ZINC001551391844 1015819754 /nfs/dbraw/zinc/81/97/54/1015819754.db2.gz JGMOUWDJGCQLBP-ZNSHCXBVSA-N -1 0 304.368 -0.348 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNC(=O)C(C)(C)F)c1[O-] ZINC001384233199 994046858 /nfs/dbraw/zinc/04/68/58/994046858.db2.gz YKMVDJUULWJEOZ-QMMMGPOBSA-N -1 0 316.333 -0.279 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNC(=O)C(C)(C)F)c1[O-] ZINC001384233196 994047376 /nfs/dbraw/zinc/04/73/76/994047376.db2.gz YKMVDJUULWJEOZ-MRVPVSSYSA-N -1 0 316.333 -0.279 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CN(C)C(=O)C(C)C)c1[O-] ZINC001384284883 994083066 /nfs/dbraw/zinc/08/30/66/994083066.db2.gz FGJZHPWENDVLFJ-SNVBAGLBSA-N -1 0 312.370 -0.029 20 0 DBADRM CCCC(=O)N(C)C[C@@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001384314466 994090611 /nfs/dbraw/zinc/09/06/11/994090611.db2.gz GRLFWTDNDSSBTD-JTQLQIEISA-N -1 0 322.365 -0.041 20 0 DBADRM CO[C@H]1CCCCN(CC(=O)N(C)C[C@H](C)c2nnn[n-]2)C1=O ZINC001552122827 1015842199 /nfs/dbraw/zinc/84/21/99/1015842199.db2.gz WQIJNHQLLLBBSG-QWRGUYRKSA-N -1 0 324.385 -0.211 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)CNC(=O)C1CC1 ZINC001384579114 994194166 /nfs/dbraw/zinc/19/41/66/994194166.db2.gz IYGKZYSWSOZVSV-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM CO[C@@H]1CCCCN(CC(=O)N(C)C[C@H](C)c2nnn[n-]2)C1=O ZINC001552122828 1015841811 /nfs/dbraw/zinc/84/18/11/1015841811.db2.gz WQIJNHQLLLBBSG-WDEREUQCSA-N -1 0 324.385 -0.211 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3cnn(C)c3)CC2)c1[O-] ZINC001400527436 994210019 /nfs/dbraw/zinc/21/00/19/994210019.db2.gz SZBJIZOEJVEVNR-UHFFFAOYSA-N -1 0 318.337 -0.150 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001384730300 994233634 /nfs/dbraw/zinc/23/36/34/994233634.db2.gz UIEMIARHNQBZET-SCZZXKLOSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(C)C(=O)NC1(CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001400613360 994254541 /nfs/dbraw/zinc/25/45/41/994254541.db2.gz JZEJRFLFPWWLNT-UHFFFAOYSA-N -1 0 323.353 -0.364 20 0 DBADRM CC1CC(C(=O)NC2(CNC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)C1 ZINC001400624626 994262321 /nfs/dbraw/zinc/26/23/21/994262321.db2.gz ICHDXIIGTHKBPN-UHFFFAOYSA-N -1 0 321.337 -0.293 20 0 DBADRM CCC1(C(=O)NC2(CNC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)CC1 ZINC001400627817 994263475 /nfs/dbraw/zinc/26/34/75/994263475.db2.gz PEBGNPRHHZAJHX-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001384865907 994298039 /nfs/dbraw/zinc/29/80/39/994298039.db2.gz ISLRFXJLAHTCMV-JTQLQIEISA-N -1 0 323.353 -0.767 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)C(F)F)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001384892875 994305335 /nfs/dbraw/zinc/30/53/35/994305335.db2.gz IWZSPYMHLIOSRM-LURJTMIESA-N -1 0 319.268 -0.986 20 0 DBADRM CC(C)CC(=O)N(C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001400715099 994312908 /nfs/dbraw/zinc/31/29/08/994312908.db2.gz MNPVEYGCGHXJHN-UHFFFAOYSA-N -1 0 322.365 -0.185 20 0 DBADRM CCN(C(=O)Cn1cccn1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400728727 994322116 /nfs/dbraw/zinc/32/21/16/994322116.db2.gz AVDMSHOIKVDAAZ-NSHDSACASA-N -1 0 319.369 -0.170 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001385109100 994363682 /nfs/dbraw/zinc/36/36/82/994363682.db2.gz DHKYCJYLODMEOG-PSASIEDQSA-N -1 0 323.353 -0.721 20 0 DBADRM C[C@H]1CN(C(=O)NCCC(=O)[O-])C[C@@H]1C(=O)N1CCOCC1 ZINC001552372108 1015856481 /nfs/dbraw/zinc/85/64/81/1015856481.db2.gz RDNRWIRYNVREML-QWRGUYRKSA-N -1 0 313.354 -0.403 20 0 DBADRM C[C@]1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(C(=O)C2CC2)C1 ZINC001400891978 994387521 /nfs/dbraw/zinc/38/75/21/994387521.db2.gz HXVBUVLWGPWZPT-ZDUSSCGKSA-N -1 0 309.326 -0.794 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)N[C@@H]1CCc3ncnn3C1)C2 ZINC001552398250 1015857523 /nfs/dbraw/zinc/85/75/23/1015857523.db2.gz GPOJHHNDJBZOLD-RULNRJAQSA-N -1 0 321.337 -0.665 20 0 DBADRM Cn1cc(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)ccc1=O ZINC001552375900 1015857582 /nfs/dbraw/zinc/85/75/82/1015857582.db2.gz IPQRETMTXUGZHX-XPTSAGLGSA-N -1 0 307.306 -0.050 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)NCc1nnnn1C1CC1)C2 ZINC001552396758 1015857842 /nfs/dbraw/zinc/85/78/42/1015857842.db2.gz ANRDLOJSHRZASY-ISVAXAHUSA-N -1 0 322.325 -0.749 20 0 DBADRM C[C@H](CNC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC001552403156 1015857939 /nfs/dbraw/zinc/85/79/39/1015857939.db2.gz MGULVKOKYPCORG-VDDIYKPWSA-N -1 0 320.367 -0.838 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552401394 1015857986 /nfs/dbraw/zinc/85/79/86/1015857986.db2.gz JZNLWEDBXPZUIG-LNLATYFQSA-N -1 0 320.367 -0.838 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001552396735 1015858012 /nfs/dbraw/zinc/85/80/12/1015858012.db2.gz AIDUAJOSXKWJIP-RBQUTUCGSA-N -1 0 311.338 -0.617 20 0 DBADRM CCCC(=O)NC[C@@]1(O)CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001401041433 994416329 /nfs/dbraw/zinc/41/63/29/994416329.db2.gz NHDMYLAZCWPNOM-AWEZNQCLSA-N -1 0 310.354 -0.083 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001552655300 1015866435 /nfs/dbraw/zinc/86/64/35/1015866435.db2.gz REORMSYXRGYDIY-MWODSPESSA-N -1 0 315.326 -0.863 20 0 DBADRM C[C@H](NC[C@H](O)COc1ccc(C(=O)[O-])cc1)c1nnnn1C ZINC001593246167 994447027 /nfs/dbraw/zinc/44/70/27/994447027.db2.gz IAWQLOQHZJMDMX-ONGXEEELSA-N -1 0 321.337 -0.001 20 0 DBADRM CCC(=O)N1CC[C@@H](N(C)C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001385349280 994466752 /nfs/dbraw/zinc/46/67/52/994466752.db2.gz RDTPLHMVMYGYMN-SECBINFHSA-N -1 0 323.353 -0.315 20 0 DBADRM CNC(=O)CCCC(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001493195421 1015866099 /nfs/dbraw/zinc/86/60/99/1015866099.db2.gz HJXKFOLHMZVWJE-SNVBAGLBSA-N -1 0 324.385 -0.635 20 0 DBADRM CC(C)CC(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001493202604 1015867343 /nfs/dbraw/zinc/86/73/43/1015867343.db2.gz NRTLYIOAWZPNCO-SNVBAGLBSA-N -1 0 322.365 -0.137 20 0 DBADRM COC[C@@H](OC)C(=O)N1CCC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001385521925 994515670 /nfs/dbraw/zinc/51/56/70/994515670.db2.gz MKIHMANNIOFXGY-GXSJLCMTSA-N -1 0 311.342 -0.813 20 0 DBADRM CC(C)=CC(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001493203741 1015868988 /nfs/dbraw/zinc/86/89/88/1015868988.db2.gz HSMHXUHNHZICBN-JTQLQIEISA-N -1 0 320.349 -0.217 20 0 DBADRM CN(CCC(=O)[O-])C(=O)[C@@H]1CC[C@@H](C(=O)N2CCOCC2)O1 ZINC001552970992 1015871556 /nfs/dbraw/zinc/87/15/56/1015871556.db2.gz JREFGWUJSZODAN-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N(CC(=O)[O-])CC(=O)OC)C1CC1 ZINC001596791707 1017169878 /nfs/dbraw/zinc/16/98/78/1017169878.db2.gz KCCBDLQWLXFQNM-JTQLQIEISA-N -1 0 323.367 -0.309 20 0 DBADRM COC[C@H](OC)C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001493236979 1015874150 /nfs/dbraw/zinc/87/41/50/1015874150.db2.gz OQWRSKQKRSFNMV-UWVGGRQHSA-N -1 0 313.358 -0.890 20 0 DBADRM Cc1nc(CNC[C@H](O)CNC(=O)c2[nH]nc(C)c2[O-])c(C)o1 ZINC001401521354 994618902 /nfs/dbraw/zinc/61/89/02/994618902.db2.gz SNAKMYLUEZSNCD-JTQLQIEISA-N -1 0 323.353 -0.091 20 0 DBADRM CCO[C@@H]1C[C@@](NC(=O)[C@H](O)C(C)(C)O)(C(=O)[O-])C1(C)C ZINC001596812332 1017170023 /nfs/dbraw/zinc/17/00/23/1017170023.db2.gz HIBPXCNTGCHJMA-TVLCNXBWSA-N -1 0 303.355 -0.107 20 0 DBADRM CCC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001385842355 994651223 /nfs/dbraw/zinc/65/12/23/994651223.db2.gz PGQXIWCWCMNTJC-VIFPVBQESA-N -1 0 323.353 -0.719 20 0 DBADRM CC[C@H](F)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001385866809 994661030 /nfs/dbraw/zinc/66/10/30/994661030.db2.gz VXKPLEBTZCLYEW-BQBZGAKWSA-N -1 0 313.289 -0.638 20 0 DBADRM C[C@H](CNC(=O)c1cccs1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386147462 994765662 /nfs/dbraw/zinc/76/56/62/994765662.db2.gz SBITVNNKEQWFQZ-ZCFIWIBFSA-N -1 0 323.334 -0.107 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CN1CCCC1=O ZINC001401739684 994792739 /nfs/dbraw/zinc/79/27/39/994792739.db2.gz ZZWIQZCXOHDHPJ-SECBINFHSA-N -1 0 310.358 -0.931 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CNCc2nnn(C)n2)C2CC2)c1[O-] ZINC001401825593 994820738 /nfs/dbraw/zinc/82/07/38/994820738.db2.gz DYBUBRVPMOULAI-SECBINFHSA-N -1 0 320.357 -0.755 20 0 DBADRM Cc1cc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)ncn1 ZINC001401938919 994861735 /nfs/dbraw/zinc/86/17/35/994861735.db2.gz VHHLETGGHVAXFZ-UHFFFAOYSA-N -1 0 303.326 -0.339 20 0 DBADRM CCn1ccc(CC(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001401949198 994864390 /nfs/dbraw/zinc/86/43/90/994864390.db2.gz SCOZAVVUNZAWEQ-UHFFFAOYSA-N -1 0 319.369 -0.292 20 0 DBADRM C[C@]1(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)CCC(=O)NC1 ZINC001401961975 994869364 /nfs/dbraw/zinc/86/93/64/994869364.db2.gz OKJPMNDKRNHYLR-ZDUSSCGKSA-N -1 0 322.369 -0.835 20 0 DBADRM O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccoc1 ZINC001402109744 994921087 /nfs/dbraw/zinc/92/10/87/994921087.db2.gz WWLJPEGLBFGMHA-UHFFFAOYSA-N -1 0 320.353 -0.349 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CCNC(=O)c2cnn(C)n2)c1[O-] ZINC001386721531 995047240 /nfs/dbraw/zinc/04/72/40/995047240.db2.gz PTGJUBFBYPJHNT-SSDOTTSWSA-N -1 0 321.341 -0.509 20 0 DBADRM COC(=O)CCN(CC(OC)OC)C(=O)c1c[n-]ncc1=O ZINC001556156612 1015912415 /nfs/dbraw/zinc/91/24/15/1015912415.db2.gz CGNIHIKHWLMCSY-UHFFFAOYSA-N -1 0 313.310 -0.194 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(CC[C@H](C)F)C2)c1[O-] ZINC001402317143 995072966 /nfs/dbraw/zinc/07/29/66/995072966.db2.gz CHLFEFKJQRVUNB-QMMMGPOBSA-N -1 0 300.334 -0.052 20 0 DBADRM CS[C@H](C)CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402325385 995080155 /nfs/dbraw/zinc/08/01/55/995080155.db2.gz JVXZTCHQYFQVKK-MRVPVSSYSA-N -1 0 315.399 -0.685 20 0 DBADRM C[C@H](CNC(=O)C1(C)CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001386841977 995122289 /nfs/dbraw/zinc/12/22/89/995122289.db2.gz SNPSERHDVMCMJA-MRVPVSSYSA-N -1 0 308.338 -0.480 20 0 DBADRM O=C(c1ccnc(F)c1F)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001556348232 1015918463 /nfs/dbraw/zinc/91/84/63/1015918463.db2.gz BYWSKBOSNLSPHV-UHFFFAOYSA-N -1 0 310.264 -0.003 20 0 DBADRM Cn1nc(CN2CCC[C@](CO)(NC(=O)CC3CC3)C2)[n-]c1=O ZINC001402445116 995138827 /nfs/dbraw/zinc/13/88/27/995138827.db2.gz QXZAVKUKDAEKKJ-HNNXBMFYSA-N -1 0 323.397 -0.648 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001387018113 995216357 /nfs/dbraw/zinc/21/63/57/995216357.db2.gz QJTWVGPDIXASNI-KXUCPTDWSA-N -1 0 317.349 -0.087 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387031518 995224512 /nfs/dbraw/zinc/22/45/12/995224512.db2.gz XRHVVTJNJMBXRN-RKDXNWHRSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@@]2(F)CCOC2)c1[O-] ZINC001387054456 995235393 /nfs/dbraw/zinc/23/53/93/995235393.db2.gz TVHVGEMHQYPTRP-WPPNPWJKSA-N -1 0 314.317 -0.213 20 0 DBADRM C[C@H](CNC(=O)C1CC2(CC2)C1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387119554 995262350 /nfs/dbraw/zinc/26/23/50/995262350.db2.gz SOZBHPRUILSZLC-MRVPVSSYSA-N -1 0 323.353 -0.500 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)C1=COCCO1 ZINC001387185091 995285439 /nfs/dbraw/zinc/28/54/39/995285439.db2.gz VPLGYBXCJMDFSH-UHFFFAOYSA-N -1 0 324.337 -0.110 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NCc1nccs1 ZINC001402943734 995351812 /nfs/dbraw/zinc/35/18/12/995351812.db2.gz WBWBPNAOZRJVPB-ZCFIWIBFSA-N -1 0 310.339 -0.353 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001387514109 995370535 /nfs/dbraw/zinc/37/05/35/995370535.db2.gz CTRRXBXVRPQWKK-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM CO[C@H](C)C(=O)NCCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001387660299 995407613 /nfs/dbraw/zinc/40/76/13/995407613.db2.gz MVKPNKYSLCSURB-SECBINFHSA-N -1 0 321.337 -0.754 20 0 DBADRM Cc1nnc(CC(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)[nH]1 ZINC001403113153 995411733 /nfs/dbraw/zinc/41/17/33/995411733.db2.gz GOWGGMCPFORKEM-ZETCQYMHSA-N -1 0 308.346 -0.884 20 0 DBADRM C[C@H](CNC(=O)C1(F)CCOCC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403135067 995420076 /nfs/dbraw/zinc/42/00/76/995420076.db2.gz MDPIAHSROOLPCP-SECBINFHSA-N -1 0 315.349 -0.035 20 0 DBADRM C[C@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403133536 995420559 /nfs/dbraw/zinc/42/05/59/995420559.db2.gz FEJRVAKQAVKYAJ-OTYXRUKQSA-N -1 0 324.385 -0.637 20 0 DBADRM C[C@@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403133541 995420573 /nfs/dbraw/zinc/42/05/73/995420573.db2.gz FEJRVAKQAVKYAJ-XPTSAGLGSA-N -1 0 324.385 -0.637 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@@]2(F)CCOC2)c1[O-] ZINC001387682258 995421263 /nfs/dbraw/zinc/42/12/63/995421263.db2.gz YARCDIAZQRHXMN-CYBMUJFWSA-N -1 0 314.317 -0.259 20 0 DBADRM C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403172932 995437675 /nfs/dbraw/zinc/43/76/75/995437675.db2.gz UVCXHVGWIOTFBT-ZETCQYMHSA-N -1 0 309.330 -0.800 20 0 DBADRM O=C(CCC1CCC1)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001387706722 995439954 /nfs/dbraw/zinc/43/99/54/995439954.db2.gz BENAGCKJSRRLBM-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2ccn(C)n2)c1[O-] ZINC001387751833 995466957 /nfs/dbraw/zinc/46/69/57/995466957.db2.gz NEOFABQFDCBPMT-UHFFFAOYSA-N -1 0 306.326 -0.341 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC001557204774 1015948159 /nfs/dbraw/zinc/94/81/59/1015948159.db2.gz KIFFHMNKWWVKLA-CYBMUJFWSA-N -1 0 323.309 -0.958 20 0 DBADRM C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001403363625 995496831 /nfs/dbraw/zinc/49/68/31/995496831.db2.gz SKBRWFGFRMJCID-DTWKUNHWSA-N -1 0 308.346 -0.653 20 0 DBADRM CC(C)C(=O)NCC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001387841585 995504914 /nfs/dbraw/zinc/50/49/14/995504914.db2.gz LHMGDAGMONQEIS-UHFFFAOYSA-N -1 0 317.349 -0.133 20 0 DBADRM CC1(C(=O)NCC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001387876799 995524209 /nfs/dbraw/zinc/52/42/09/995524209.db2.gz DVZPUMDZKCTBBR-UHFFFAOYSA-N -1 0 309.326 -0.936 20 0 DBADRM CN(CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C(=O)C(F)F ZINC001387884895 995528305 /nfs/dbraw/zinc/52/83/05/995528305.db2.gz KWNJOOKGQLHMKA-UHFFFAOYSA-N -1 0 319.268 -0.945 20 0 DBADRM CC[C@@H](F)C(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001387905199 995534105 /nfs/dbraw/zinc/53/41/05/995534105.db2.gz DYQPUHQTDXXXJJ-MRVPVSSYSA-N -1 0 315.305 -0.988 20 0 DBADRM CN(CCNC(=O)CCC(F)F)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387911610 995534986 /nfs/dbraw/zinc/53/49/86/995534986.db2.gz XBQHHLKNPAAAJJ-UHFFFAOYSA-N -1 0 321.284 -0.691 20 0 DBADRM CCCC(=O)NC[C@H](CC)NC(=O)c1cnc([O-])n(C)c1=O ZINC001388002424 995569858 /nfs/dbraw/zinc/56/98/58/995569858.db2.gz XGOZJEAGLGPZMA-VIFPVBQESA-N -1 0 310.354 -0.089 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC(C)C ZINC001388131833 995613980 /nfs/dbraw/zinc/61/39/80/995613980.db2.gz LDKOQKHQHCAXAG-MRVPVSSYSA-N -1 0 311.342 -0.047 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001403648056 995614464 /nfs/dbraw/zinc/61/44/64/995614464.db2.gz UYCXDZVQUQSTER-UHFFFAOYSA-N -1 0 307.358 -0.278 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2ccnnc2)c1[O-] ZINC001388139088 995615673 /nfs/dbraw/zinc/61/56/73/995615673.db2.gz QKZHJTRWDHMJKV-UHFFFAOYSA-N -1 0 304.310 -0.284 20 0 DBADRM Cc1cc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)oc1C ZINC001403667515 995633370 /nfs/dbraw/zinc/63/33/70/995633370.db2.gz USCSVSUJRWFDAX-SECBINFHSA-N -1 0 309.326 -0.399 20 0 DBADRM CCOCC(=O)N(C)C[C@@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001596861100 1017173069 /nfs/dbraw/zinc/17/30/69/1017173069.db2.gz KMNGSOJESZWYIM-JTQLQIEISA-N -1 0 312.326 -0.558 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCc1ccnc(-n2cncn2)c1 ZINC001557925403 1015963265 /nfs/dbraw/zinc/96/32/65/1015963265.db2.gz CAYFMWDQPFDNQR-UHFFFAOYSA-N -1 0 313.325 -0.186 20 0 DBADRM CC(F)(F)C1(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)CC1 ZINC001403695886 995652900 /nfs/dbraw/zinc/65/29/00/995652900.db2.gz FAOXAZBPYNYKFP-SSDOTTSWSA-N -1 0 319.312 -0.488 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)[C@H]1CC12CC2 ZINC001388470394 995698004 /nfs/dbraw/zinc/69/80/04/995698004.db2.gz IXFTWKRDAGEUBA-HTQZYQBOSA-N -1 0 321.337 -0.435 20 0 DBADRM CC1(C(=O)NC[C@@H]2CCCN2C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001388495783 995704238 /nfs/dbraw/zinc/70/42/38/995704238.db2.gz AWIYIAWUBATEDN-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388505204 995705410 /nfs/dbraw/zinc/70/54/10/995705410.db2.gz GXYWDCROXFUNCO-YUMQZZPRSA-N -1 0 317.321 -0.694 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001388607126 995715647 /nfs/dbraw/zinc/71/56/47/995715647.db2.gz CTRRXBXVRPQWKK-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM CN(C[C@H](O)CNCc1cnn(C)n1)C(=O)c1ncccc1O ZINC001403830863 995718339 /nfs/dbraw/zinc/71/83/39/995718339.db2.gz PAUSIWCXMMKZJH-LLVKDONJSA-N -1 0 320.353 -0.862 20 0 DBADRM Cc1noc(CNC[C@H](O)CN(C)C(=O)c2cnc[nH]c2=O)n1 ZINC001403857713 995735898 /nfs/dbraw/zinc/73/58/98/995735898.db2.gz YSFFGUOGPKIJLB-VIFPVBQESA-N -1 0 322.325 -0.904 20 0 DBADRM Cc1n[nH]c(C(=O)NCc2nnc3c(=O)n(C)ccn23)c1[O-] ZINC001558152804 1015973134 /nfs/dbraw/zinc/97/31/34/1015973134.db2.gz OIMBYGZJLOVHRZ-UHFFFAOYSA-N -1 0 303.282 -0.905 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CN1C(=O)CN(C)C1=O ZINC001558162555 1015973511 /nfs/dbraw/zinc/97/35/11/1015973511.db2.gz KMAQYMKTPNZGTO-UHFFFAOYSA-N -1 0 309.330 -0.922 20 0 DBADRM COCCN(CCNC(=O)c1cccn1C)Cc1n[nH]c(=O)[n-]1 ZINC001403949242 995786428 /nfs/dbraw/zinc/78/64/28/995786428.db2.gz AMFVPJZULOZEPC-UHFFFAOYSA-N -1 0 322.369 -0.273 20 0 DBADRM O=C(Cn1ccnc1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404098348 995818094 /nfs/dbraw/zinc/81/80/94/995818094.db2.gz GDPDQNIVSDEMAS-JTQLQIEISA-N -1 0 305.342 -0.655 20 0 DBADRM CCCN(CCNC(=O)Cc1ccn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001404122539 995822117 /nfs/dbraw/zinc/82/21/17/995822117.db2.gz DDPZDXZUSKHVEP-UHFFFAOYSA-N -1 0 321.385 -0.185 20 0 DBADRM CCCN(CCNC(=O)C[C@H]1CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001404159378 995828103 /nfs/dbraw/zinc/82/81/03/995828103.db2.gz ZMZPSDRZMCCOPL-SNVBAGLBSA-N -1 0 324.385 -0.493 20 0 DBADRM CCC1(C(=O)NC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001389458361 995994610 /nfs/dbraw/zinc/99/46/10/995994610.db2.gz AAQICAUMKBXCMX-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(CCF)C1 ZINC001389476303 996003818 /nfs/dbraw/zinc/00/38/18/996003818.db2.gz ZDNMBGFUJLCTMF-VIFPVBQESA-N -1 0 301.322 -0.371 20 0 DBADRM O=C(CCCn1cncn1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001389493956 996012642 /nfs/dbraw/zinc/01/26/42/996012642.db2.gz DZFMWFDLVMJEBV-SNVBAGLBSA-N -1 0 320.357 -0.727 20 0 DBADRM O=C(CCC1CC1)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001389616655 996045158 /nfs/dbraw/zinc/04/51/58/996045158.db2.gz BRCYVIFTXRBLOU-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)Cn3cccn3)CC2)c1[O-] ZINC001389792895 996100601 /nfs/dbraw/zinc/10/06/01/996100601.db2.gz ZFVBLJLMOBUGAN-UHFFFAOYSA-N -1 0 318.337 -0.301 20 0 DBADRM CCC1(C(=O)N2CC(CNC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001389857974 996123377 /nfs/dbraw/zinc/12/33/77/996123377.db2.gz NDLCEBPHPKLQDA-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3cnn(C)n3)CC2)c1[O-] ZINC001389922634 996138774 /nfs/dbraw/zinc/13/87/74/996138774.db2.gz XSXPQAXQLUJODC-UHFFFAOYSA-N -1 0 319.325 -0.755 20 0 DBADRM CCCCC(=O)N(C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001390018128 996165141 /nfs/dbraw/zinc/16/51/41/996165141.db2.gz ARRVYKYQXDZGKG-UHFFFAOYSA-N -1 0 322.365 -0.041 20 0 DBADRM CC(=O)NCC(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001390112528 996186730 /nfs/dbraw/zinc/18/67/30/996186730.db2.gz ZDZABBPNMYQWIG-SNVBAGLBSA-N -1 0 310.358 -0.883 20 0 DBADRM CC(=O)NCC(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001390112527 996186961 /nfs/dbraw/zinc/18/69/61/996186961.db2.gz ZDZABBPNMYQWIG-JTQLQIEISA-N -1 0 310.358 -0.883 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1 ZINC001596884773 1017175204 /nfs/dbraw/zinc/17/52/04/1017175204.db2.gz QMCSBZYCMOIJHF-KXUCPTDWSA-N -1 0 323.367 -0.311 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001596884971 1017175351 /nfs/dbraw/zinc/17/53/51/1017175351.db2.gz VLNRLQGGCNDTCA-ZJUUUORDSA-N -1 0 322.383 -0.642 20 0 DBADRM CC(C)CC(=O)N[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001493628354 1016017263 /nfs/dbraw/zinc/01/72/63/1016017263.db2.gz GYRJIYFXGKBGRU-VIFPVBQESA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CSC ZINC001390577131 996308814 /nfs/dbraw/zinc/30/88/14/996308814.db2.gz BLQAXTZFFNQFBD-SSDOTTSWSA-N -1 0 317.371 -0.937 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(F)F ZINC001390586645 996311735 /nfs/dbraw/zinc/31/17/35/996311735.db2.gz SJAAQTGMRKAAPQ-BYPYZUCNSA-N -1 0 305.241 -0.828 20 0 DBADRM Cc1ccn(C[C@H](C)C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001390762237 996361723 /nfs/dbraw/zinc/36/17/23/996361723.db2.gz ALSQAMUGJSOVPJ-JTQLQIEISA-N -1 0 321.385 -0.100 20 0 DBADRM CCOc1nc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)co1 ZINC001390782152 996371114 /nfs/dbraw/zinc/37/11/14/996371114.db2.gz QUIZQHZNPTWIBH-UHFFFAOYSA-N -1 0 310.314 -0.241 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1nccs1 ZINC001390782266 996371527 /nfs/dbraw/zinc/37/15/27/996371527.db2.gz ROTJVZJPMSIPGB-UHFFFAOYSA-N -1 0 310.339 -0.399 20 0 DBADRM C[C@H](C(N)=O)N(C)CCNC(=O)c1n[n-]c2ccccc2c1=O ZINC001390818477 996381494 /nfs/dbraw/zinc/38/14/94/996381494.db2.gz QMFKNLPBHJXNMG-SECBINFHSA-N -1 0 317.349 -0.129 20 0 DBADRM CCn1nc(C)cc1C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001390815996 996383568 /nfs/dbraw/zinc/38/35/68/996383568.db2.gz BQHRGFFGAMPDGV-UHFFFAOYSA-N -1 0 307.358 -0.103 20 0 DBADRM CN(CCNC(=O)CCCn1ccnc1)Cc1n[nH]c(=O)[n-]1 ZINC001390867980 996401368 /nfs/dbraw/zinc/40/13/68/996401368.db2.gz UQXUERJJLWODCX-UHFFFAOYSA-N -1 0 307.358 -0.265 20 0 DBADRM CCO[C@@H](C)C(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[nH]1 ZINC001391031975 996425134 /nfs/dbraw/zinc/42/51/34/996425134.db2.gz UQOQXQFNDIEYCG-QWRGUYRKSA-N -1 0 311.386 -0.386 20 0 DBADRM CCO[C@@H](C)C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[nH]1 ZINC001391031976 996425539 /nfs/dbraw/zinc/42/55/39/996425539.db2.gz UQOQXQFNDIEYCG-WDEREUQCSA-N -1 0 311.386 -0.386 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCn3cncc3C2)C1 ZINC001593762629 996432604 /nfs/dbraw/zinc/43/26/04/996432604.db2.gz POSYSWJGFFCKGL-HNNXBMFYSA-N -1 0 320.349 -0.061 20 0 DBADRM O=C(Cc1ncc[nH]1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391106329 996453575 /nfs/dbraw/zinc/45/35/75/996453575.db2.gz BUFHWZOUBXQGJS-SECBINFHSA-N -1 0 305.342 -0.586 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)c2cnnn2C)c1[O-] ZINC001391218185 996493139 /nfs/dbraw/zinc/49/31/39/996493139.db2.gz BGKBUAHCFBDZER-SSDOTTSWSA-N -1 0 321.341 -0.652 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C)nn1 ZINC001596884098 1017175605 /nfs/dbraw/zinc/17/56/05/1017175605.db2.gz GMIHWWIHEORWMR-SECBINFHSA-N -1 0 303.340 -0.105 20 0 DBADRM CCN(C(=O)CN1CC(NC(=O)c2[nH]nc(C)c2[O-])C1)C1CC1 ZINC001391418600 996537257 /nfs/dbraw/zinc/53/72/57/996537257.db2.gz IBSRMCPMWGWTTO-UHFFFAOYSA-N -1 0 321.381 -0.151 20 0 DBADRM Cn1ccc(CCC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001391430096 996539199 /nfs/dbraw/zinc/53/91/99/996539199.db2.gz LFBSCTJELOVAEQ-UHFFFAOYSA-N -1 0 305.342 -0.823 20 0 DBADRM CC(C)CC(=O)NCCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391463884 996549117 /nfs/dbraw/zinc/54/91/17/996549117.db2.gz SVJGITPWGGBGLJ-UHFFFAOYSA-N -1 0 324.385 -0.637 20 0 DBADRM O=C(COCC(F)F)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391494850 996557707 /nfs/dbraw/zinc/55/77/07/996557707.db2.gz GPGMAJMMQPOULF-UHFFFAOYSA-N -1 0 305.285 -0.660 20 0 DBADRM Cc1cnc(CN2CC(CNC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001391514086 996562296 /nfs/dbraw/zinc/56/22/96/996562296.db2.gz HFTZATWESCPIIU-UHFFFAOYSA-N -1 0 322.325 -0.766 20 0 DBADRM CN(C(=O)CCn1cccn1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391599250 996587201 /nfs/dbraw/zinc/58/72/01/996587201.db2.gz BNPFWHMLPIFOEI-LLVKDONJSA-N -1 0 319.369 -0.170 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391623082 996596584 /nfs/dbraw/zinc/59/65/84/996596584.db2.gz QLENNRTWKSRLJF-GHMZBOCLSA-N -1 0 324.385 -0.542 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NCc1ncnn1C ZINC001391689504 996609784 /nfs/dbraw/zinc/60/97/84/996609784.db2.gz WEMDMAKXQLYXFO-SECBINFHSA-N -1 0 307.358 -0.150 20 0 DBADRM CN(CCN(C)C(=O)C(F)F)C(=O)c1cnc([O-])n(C)c1=O ZINC001391707696 996614182 /nfs/dbraw/zinc/61/41/82/996614182.db2.gz MGRIOOSABNLTGU-UHFFFAOYSA-N -1 0 318.280 -0.719 20 0 DBADRM CCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001391907917 996654314 /nfs/dbraw/zinc/65/43/14/996654314.db2.gz KWHYENJDJWLGPQ-DTWKUNHWSA-N -1 0 311.342 -0.500 20 0 DBADRM CC1(C)C[C@@H]1CNC(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001593869215 996676937 /nfs/dbraw/zinc/67/69/37/996676937.db2.gz VWYOQFFOGPQDNF-PSLIRLAXSA-N -1 0 323.349 -0.019 20 0 DBADRM CC1(C)C[C@H]1CNC(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001593869213 996677039 /nfs/dbraw/zinc/67/70/39/996677039.db2.gz VWYOQFFOGPQDNF-BJOHPYRUSA-N -1 0 323.349 -0.019 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@@H]2CCC(=O)N2C)c1[O-] ZINC001392282705 996774519 /nfs/dbraw/zinc/77/45/19/996774519.db2.gz JHSCWYXKRHXIMZ-APPZFPTMSA-N -1 0 323.353 -0.721 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)COCC(F)F)c1[O-] ZINC001392284553 996777025 /nfs/dbraw/zinc/77/70/25/996777025.db2.gz USXVZBXSJIZNKX-ZCFIWIBFSA-N -1 0 320.296 -0.060 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001596873179 1017176423 /nfs/dbraw/zinc/17/64/23/1017176423.db2.gz VSOJNYVUDRGSHA-JOYOIKCWSA-N -1 0 322.383 -0.594 20 0 DBADRM CN(CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)Cc1cnn(C)c1 ZINC001392321454 996792692 /nfs/dbraw/zinc/79/26/92/996792692.db2.gz KAGHXQJHEKRZJZ-UHFFFAOYSA-N -1 0 323.357 -0.987 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC001599074047 996827125 /nfs/dbraw/zinc/82/71/25/996827125.db2.gz XIDVRGDUUDEJNM-CQSZACIVSA-N -1 0 317.305 -0.022 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)C1 ZINC001599074151 996827967 /nfs/dbraw/zinc/82/79/67/996827967.db2.gz OEBGMBWHXOZIRU-KBVBSXBZSA-N -1 0 320.367 -0.553 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NC1CN(Cc2ccon2)C1 ZINC001404794170 996868085 /nfs/dbraw/zinc/86/80/85/996868085.db2.gz MRQSCMKWGFDQAM-UHFFFAOYSA-N -1 0 320.309 -0.796 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1 ZINC001596884771 1017176568 /nfs/dbraw/zinc/17/65/68/1017176568.db2.gz QMCSBZYCMOIJHF-AEJSXWLSSA-N -1 0 323.367 -0.311 20 0 DBADRM C[C@@]1(CCC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)CCC(=O)N1 ZINC001404867271 996889649 /nfs/dbraw/zinc/88/96/49/996889649.db2.gz RMDHLBUAIPISCO-CQSZACIVSA-N -1 0 322.369 -0.740 20 0 DBADRM C[C@@H](CC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)n1ccnc1 ZINC001404895746 996896527 /nfs/dbraw/zinc/89/65/27/996896527.db2.gz XWWLRYBIZXAYKB-JTQLQIEISA-N -1 0 319.369 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)Cn2ccnc2)c1[O-] ZINC001392452695 996937277 /nfs/dbraw/zinc/93/72/77/996937277.db2.gz RMAFMGMTGGOKEP-MRVPVSSYSA-N -1 0 306.326 -0.445 20 0 DBADRM CC(C)(CS(=O)(=O)N1C[C@H](CO)OC(C)(C)C1)C(=O)[O-] ZINC001593945022 996984900 /nfs/dbraw/zinc/98/49/00/996984900.db2.gz LYVPSDNWMLWHOM-SECBINFHSA-N -1 0 309.384 -0.101 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)c2cnn(C)n2)c1[O-] ZINC001405109561 997005770 /nfs/dbraw/zinc/00/57/70/997005770.db2.gz SEDZOMJGSBERCF-ZETCQYMHSA-N -1 0 321.341 -0.557 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(C)C1CC1 ZINC001392548298 997017585 /nfs/dbraw/zinc/01/75/85/997017585.db2.gz VDHBSKLRMYEDMJ-SSDOTTSWSA-N -1 0 323.353 -0.047 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1=O ZINC001593968955 997124687 /nfs/dbraw/zinc/12/46/87/997124687.db2.gz PLIRHJJKZFYFEU-CLAHSXSESA-N -1 0 309.322 -0.218 20 0 DBADRM CCOCCCn1c(CO)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001596921646 1017177579 /nfs/dbraw/zinc/17/75/79/1017177579.db2.gz NZJTUMOIBFYUHK-SNVBAGLBSA-N -1 0 314.342 -0.513 20 0 DBADRM CCOCCCNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001596917647 1017177597 /nfs/dbraw/zinc/17/75/97/1017177597.db2.gz ZJRNHXGCODZLRV-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)c2ccn(C)c2)c1[O-] ZINC001405307228 997180686 /nfs/dbraw/zinc/18/06/86/997180686.db2.gz ZYNFMMVZFCITEI-SNVBAGLBSA-N -1 0 321.337 -0.717 20 0 DBADRM CC[C@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001493976160 1016103896 /nfs/dbraw/zinc/10/38/96/1016103896.db2.gz UVRRVRJNJSEYEL-GUBZILKMSA-N -1 0 322.365 -0.091 20 0 DBADRM C[C@@]1(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)CCC(=O)NC1 ZINC001392857175 997273881 /nfs/dbraw/zinc/27/38/81/997273881.db2.gz KRYDXJMWGRUGQJ-YMTOWFKASA-N -1 0 322.369 -0.883 20 0 DBADRM CCO[C@@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001392992313 997348528 /nfs/dbraw/zinc/34/85/28/997348528.db2.gz AHTJUDXFJHSUFV-GFCCVEGCSA-N -1 0 309.370 -0.032 20 0 DBADRM CN(C(=O)CCc1ccncn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393007405 997359009 /nfs/dbraw/zinc/35/90/09/997359009.db2.gz WEKYRJAEYDMVBL-UHFFFAOYSA-N -1 0 317.353 -0.424 20 0 DBADRM CN(C)C(=O)CCCC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393022480 997371475 /nfs/dbraw/zinc/37/14/75/997371475.db2.gz RVXLTKHVZGGPRO-UHFFFAOYSA-N -1 0 324.385 -0.589 20 0 DBADRM C[C@@]1(NC(=O)[C@@]2(F)CCOC2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393103795 997417712 /nfs/dbraw/zinc/41/77/12/997417712.db2.gz CDAIATOJXWYLGQ-CHWSQXEVSA-N -1 0 313.333 -0.281 20 0 DBADRM C[C@]1(NC(=O)[C@@]2(F)CCOC2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393103812 997418361 /nfs/dbraw/zinc/41/83/61/997418361.db2.gz CDAIATOJXWYLGQ-QWHCGFSZSA-N -1 0 313.333 -0.281 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)C(C)C ZINC001406008755 997486044 /nfs/dbraw/zinc/48/60/44/997486044.db2.gz QBWHCBCOZJRQNQ-MNOVXSKESA-N -1 0 313.402 -0.236 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001393295558 997551454 /nfs/dbraw/zinc/55/14/54/997551454.db2.gz IOXWVISDLZFPNX-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1cc(CN2CC(O)(CNC(=O)c3[nH]nc(C)c3[O-])C2)on1 ZINC001393314726 997575373 /nfs/dbraw/zinc/57/53/73/997575373.db2.gz TZOUTMWXDGDBOL-UHFFFAOYSA-N -1 0 321.337 -0.303 20 0 DBADRM Cc1nc[nH]c(=O)c1CCC(=O)NCC1(O)CN(CC2CC2)C1 ZINC001393330295 997589084 /nfs/dbraw/zinc/58/90/84/997589084.db2.gz VTNWYFXKBHAERK-UHFFFAOYSA-N -1 0 320.393 -0.004 20 0 DBADRM C[C@H]1CCCC[C@@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393335114 997595482 /nfs/dbraw/zinc/59/54/82/997595482.db2.gz YRRUQNTWMRSVPI-QWRGUYRKSA-N -1 0 323.397 -0.001 20 0 DBADRM CCOCC[C@H](O)CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001596899383 1017179174 /nfs/dbraw/zinc/17/91/74/1017179174.db2.gz XFVDOIFVWBBLLQ-TVQRCGJNSA-N -1 0 302.327 -0.051 20 0 DBADRM O=C(Cc1ccc[nH]1)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001393512157 997704327 /nfs/dbraw/zinc/70/43/27/997704327.db2.gz MIKKDKRDDGIHTO-NSHDSACASA-N -1 0 320.353 -0.602 20 0 DBADRM C[C@@H](C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1)C1CC1 ZINC001393587288 997753461 /nfs/dbraw/zinc/75/34/61/997753461.db2.gz WHJDMYYXYILUQW-SSDOTTSWSA-N -1 0 321.337 -0.293 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001393707756 997813718 /nfs/dbraw/zinc/81/37/18/997813718.db2.gz VTLVMJRUEOYUOS-AWEZNQCLSA-N -1 0 311.386 -0.001 20 0 DBADRM C[C@H](CN(C)Cc1ccon1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001406640057 997844092 /nfs/dbraw/zinc/84/40/92/997844092.db2.gz KYAKJDMVDYKSRJ-SSDOTTSWSA-N -1 0 308.298 -0.479 20 0 DBADRM COCc1nocc1C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001406682791 997852739 /nfs/dbraw/zinc/85/27/39/997852739.db2.gz NFFIIEPKQMJRIM-MRVPVSSYSA-N -1 0 324.341 -0.105 20 0 DBADRM Cc1ncoc1CN(C)C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001406692954 997857632 /nfs/dbraw/zinc/85/76/32/997857632.db2.gz MLNSXCZMHFYENA-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001406703609 997858569 /nfs/dbraw/zinc/85/85/69/997858569.db2.gz UYEYJNFKCGSYJH-MWLCHTKSSA-N -1 0 324.385 -0.542 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001393836423 997861454 /nfs/dbraw/zinc/86/14/54/997861454.db2.gz TVJDMEXDIAUWMW-UWVGGRQHSA-N -1 0 309.370 -0.391 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001393836420 997861761 /nfs/dbraw/zinc/86/17/61/997861761.db2.gz TVJDMEXDIAUWMW-NXEZZACHSA-N -1 0 309.370 -0.391 20 0 DBADRM CC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001406745599 997866791 /nfs/dbraw/zinc/86/67/91/997866791.db2.gz UNPSYWZEVVRGML-LLVKDONJSA-N -1 0 310.354 -0.131 20 0 DBADRM O=C(CCCn1cncn1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001406879952 997915870 /nfs/dbraw/zinc/91/58/70/997915870.db2.gz MWEVUJNHXAISEC-JTQLQIEISA-N -1 0 320.357 -0.727 20 0 DBADRM CCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001406916062 997935586 /nfs/dbraw/zinc/93/55/86/997935586.db2.gz COEKBZVSDGTQEI-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1ncc(CC(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)o1 ZINC001406944376 997949391 /nfs/dbraw/zinc/94/93/91/997949391.db2.gz IPZWZYVJUICZFS-UHFFFAOYSA-N -1 0 306.326 -0.212 20 0 DBADRM Cc1c(CC(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001394075175 997963166 /nfs/dbraw/zinc/96/31/66/997963166.db2.gz DCPDIEUEWYDDOL-SECBINFHSA-N -1 0 321.385 -0.269 20 0 DBADRM C[C@@H](CNC(=O)CCc1c[nH]cn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001394076899 997964933 /nfs/dbraw/zinc/96/49/33/997964933.db2.gz HLXHFLLTHIPAAF-VIFPVBQESA-N -1 0 307.358 -0.197 20 0 DBADRM COCCN(CCOC)C1CN(C(=O)[C@H](C)CC(=O)[O-])C1 ZINC001599237348 997970139 /nfs/dbraw/zinc/97/01/39/997970139.db2.gz VTXFAOJWGMZDLQ-LLVKDONJSA-N -1 0 302.371 -0.097 20 0 DBADRM CC(C)[C@H](C)C(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001394110419 997982736 /nfs/dbraw/zinc/98/27/36/997982736.db2.gz HDOCXCLOADAUDG-QMMMGPOBSA-N -1 0 323.353 -0.142 20 0 DBADRM COC[C@@H](OC)C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001394106288 997984036 /nfs/dbraw/zinc/98/40/36/997984036.db2.gz BKWDBXBWJTWAQY-RKDXNWHRSA-N -1 0 301.347 -0.892 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001394132329 997995562 /nfs/dbraw/zinc/99/55/62/997995562.db2.gz NLHYGQBZZNUPAH-VHSXEESVSA-N -1 0 324.385 -0.542 20 0 DBADRM COCCN(CCO)C(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001599238901 998000350 /nfs/dbraw/zinc/00/03/50/998000350.db2.gz QKXWKTXFIYQDGS-UHFFFAOYSA-N -1 0 324.333 -0.281 20 0 DBADRM CC(C)OCCN1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001407075659 998000960 /nfs/dbraw/zinc/00/09/60/998000960.db2.gz BEJQWEPTYMQXGH-UHFFFAOYSA-N -1 0 313.358 -0.743 20 0 DBADRM COCCN(CCO)C(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001599238987 998001586 /nfs/dbraw/zinc/00/15/86/998001586.db2.gz WOBWGALTDSAGNS-UHFFFAOYSA-N -1 0 313.310 -0.573 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001407112942 998022209 /nfs/dbraw/zinc/02/22/09/998022209.db2.gz XCADKXMSQAZBQK-VIFPVBQESA-N -1 0 324.385 -0.494 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407165759 998049076 /nfs/dbraw/zinc/04/90/76/998049076.db2.gz KOHPANFBABVZPZ-RNCFNFMXSA-N -1 0 313.358 -0.748 20 0 DBADRM C[C@@H](NC(=O)CCc1cn[nH]n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001394255329 998062206 /nfs/dbraw/zinc/06/22/06/998062206.db2.gz WJCZVKWIPHVKIV-MRVPVSSYSA-N -1 0 320.357 -0.802 20 0 DBADRM C[C@H](NC(=O)CCc1cn[nH]n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001394255332 998064836 /nfs/dbraw/zinc/06/48/36/998064836.db2.gz WJCZVKWIPHVKIV-QMMMGPOBSA-N -1 0 320.357 -0.802 20 0 DBADRM CCOCCOCC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001596934656 1017181223 /nfs/dbraw/zinc/18/12/23/1017181223.db2.gz FSJNKDMZRXHAEW-CYBMUJFWSA-N -1 0 300.311 -0.129 20 0 DBADRM Cc1nccn1CC(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001394257714 998066074 /nfs/dbraw/zinc/06/60/74/998066074.db2.gz ZALVIVMVFWXWKE-SECBINFHSA-N -1 0 319.369 -0.348 20 0 DBADRM Cc1nonc1CC(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407205898 998068896 /nfs/dbraw/zinc/06/88/96/998068896.db2.gz XMZYUWRTPXLRRY-ZDUSSCGKSA-N -1 0 321.341 -0.475 20 0 DBADRM CCOCCOCCNC(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001596937608 1017181618 /nfs/dbraw/zinc/18/16/18/1017181618.db2.gz HFDILTBLYQBAOQ-CYBMUJFWSA-N -1 0 304.343 -0.075 20 0 DBADRM Cc1cc(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)oc1C ZINC001407407037 998178861 /nfs/dbraw/zinc/17/88/61/998178861.db2.gz KGAGSCLXWICIKA-UHFFFAOYSA-N -1 0 321.337 -0.303 20 0 DBADRM Cc1cc(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)c(C)[nH]1 ZINC001407432364 998194287 /nfs/dbraw/zinc/19/42/87/998194287.db2.gz LDMDURBEKVUOLN-UHFFFAOYSA-N -1 0 320.353 -0.568 20 0 DBADRM CC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001407442914 998201839 /nfs/dbraw/zinc/20/18/39/998201839.db2.gz XRFFYOJVQZNZQG-SCZZXKLOSA-N -1 0 311.342 -0.405 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001407499916 998242679 /nfs/dbraw/zinc/24/26/79/998242679.db2.gz WKYZXKCKJDLSLZ-JTQLQIEISA-N -1 0 313.358 -0.694 20 0 DBADRM C[C@H]1CCC[C@@H]1CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407541230 998257307 /nfs/dbraw/zinc/25/73/07/998257307.db2.gz YQYUPUDYFTUVAH-WDEREUQCSA-N -1 0 323.397 -0.001 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)C1(C(=O)OC)CCC1 ZINC001599150528 998289364 /nfs/dbraw/zinc/28/93/64/998289364.db2.gz QPQUXUZNPGZPPJ-NSHDSACASA-N -1 0 323.367 -0.119 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)CCCOC(C)=O ZINC001599150554 998290992 /nfs/dbraw/zinc/29/09/92/998290992.db2.gz RHZKUGLIZOXOFF-NSHDSACASA-N -1 0 311.356 -0.261 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001599150634 998292052 /nfs/dbraw/zinc/29/20/52/998292052.db2.gz WTCAQXZGNRGARQ-JQWIXIFHSA-N -1 0 324.399 -0.884 20 0 DBADRM COC[C@@](C)(NC(=O)/C=C(/C)CN1CCOCC1)C(=O)[O-] ZINC001599150948 998297276 /nfs/dbraw/zinc/29/72/76/998297276.db2.gz CELCGQZPKDHCBQ-KOTGUFOOSA-N -1 0 300.355 -0.129 20 0 DBADRM O=C(NC[C@H](NC(=O)C1CCC1)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001407674531 998320708 /nfs/dbraw/zinc/32/07/08/998320708.db2.gz VZWBHIUIUMRXCR-VIFPVBQESA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C1(F)CCCCC1 ZINC001394645371 998340121 /nfs/dbraw/zinc/34/01/21/998340121.db2.gz VLRHFVISISIXID-SECBINFHSA-N -1 0 315.349 -0.251 20 0 DBADRM CCC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001407814796 998381279 /nfs/dbraw/zinc/38/12/79/998381279.db2.gz XONNEWBECMZUBY-KYZUINATSA-N -1 0 323.353 -0.673 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001407879430 998413957 /nfs/dbraw/zinc/41/39/57/998413957.db2.gz MEMHFCGUQNPUCX-VIFPVBQESA-N -1 0 312.374 -0.685 20 0 DBADRM C[C@@H](CNC(=O)C1CC1)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001408056163 998472973 /nfs/dbraw/zinc/47/29/73/998472973.db2.gz HSEVJLHATAVYOE-ZETCQYMHSA-N -1 0 309.326 -0.754 20 0 DBADRM CS[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001394768605 998475015 /nfs/dbraw/zinc/47/50/15/998475015.db2.gz OGSZXEWLCCHWKX-IUCAKERBSA-N -1 0 317.415 -0.487 20 0 DBADRM COCCN(CCNC(=O)[C@@H]1CC12CC2)Cc1n[nH]c(=O)[n-]1 ZINC001394838707 998518797 /nfs/dbraw/zinc/51/87/97/998518797.db2.gz WCYRJJIZGCWBDZ-JTQLQIEISA-N -1 0 309.370 -0.125 20 0 DBADRM C[C@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)[C@H](C)NC(=O)C1CC1 ZINC001394926700 998544700 /nfs/dbraw/zinc/54/47/00/998544700.db2.gz HVCSCYVPTHIQIY-YUMQZZPRSA-N -1 0 323.353 -0.365 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CC1(C)CC1 ZINC001408263817 998578897 /nfs/dbraw/zinc/57/88/97/998578897.db2.gz QETRHJSAHVLIPR-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@H](CNC(=O)C1(C)CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001408273092 998583833 /nfs/dbraw/zinc/58/38/33/998583833.db2.gz GTXLMCLDLYTDLB-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM CCC(=O)N[C@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001408282743 998588989 /nfs/dbraw/zinc/58/89/89/998588989.db2.gz UBUXDAGGFFQQGZ-MRVPVSSYSA-N -1 0 306.326 -0.898 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)c2cnnn2C)c1[O-] ZINC001395076056 998596532 /nfs/dbraw/zinc/59/65/32/998596532.db2.gz LFWINCPZAWFXTC-SSDOTTSWSA-N -1 0 321.341 -0.557 20 0 DBADRM CCC(=O)N(C)[C@H](C)CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001395124826 998612205 /nfs/dbraw/zinc/61/22/05/998612205.db2.gz UGIBJKVQYLWNOR-MRVPVSSYSA-N -1 0 311.342 -0.412 20 0 DBADRM C[C@H](CNC(=O)C(C)(C)C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001395169251 998624540 /nfs/dbraw/zinc/62/45/40/998624540.db2.gz LPGILAZOOSALOL-SSDOTTSWSA-N -1 0 311.342 -0.094 20 0 DBADRM C[C@H](CCNC(=O)C1CCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001408436511 998627187 /nfs/dbraw/zinc/62/71/87/998627187.db2.gz USGJHYGPJDMSGH-SECBINFHSA-N -1 0 322.365 -0.089 20 0 DBADRM CC(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCCCC1 ZINC001395229199 998643461 /nfs/dbraw/zinc/64/34/61/998643461.db2.gz WZZQVMHZDRPKJJ-UHFFFAOYSA-N -1 0 309.326 -0.148 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)C2=COCCO2)c1[O-] ZINC001408516612 998646578 /nfs/dbraw/zinc/64/65/78/998646578.db2.gz FLDVBUPFXOQYDK-UHFFFAOYSA-N -1 0 310.310 -0.500 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2COCCO2)c1[O-] ZINC001395456865 998670410 /nfs/dbraw/zinc/67/04/10/998670410.db2.gz QUFSLDKSNWSNKT-VHSXEESVSA-N -1 0 324.337 -0.830 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)c2cn[nH]n2)c1[O-] ZINC001395606650 998694668 /nfs/dbraw/zinc/69/46/68/998694668.db2.gz OOXJTMYGXCSMFR-ZCFIWIBFSA-N -1 0 307.314 -0.568 20 0 DBADRM CCCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC001494385979 1016241088 /nfs/dbraw/zinc/24/10/88/1016241088.db2.gz SSQCWKYQHBKMSZ-IAZYJMLFSA-N -1 0 320.349 -0.527 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC23CCC3)c1[O-] ZINC001395727835 998745167 /nfs/dbraw/zinc/74/51/67/998745167.db2.gz CKCBSTUMODKEDC-VHSXEESVSA-N -1 0 322.365 -0.179 20 0 DBADRM CCO[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001596980886 1017183573 /nfs/dbraw/zinc/18/35/73/1017183573.db2.gz PHHNCRGMOHUWTQ-NXEZZACHSA-N -1 0 318.351 -0.195 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001396734687 998891459 /nfs/dbraw/zinc/89/14/59/998891459.db2.gz ZOSJZUFAVJIMTF-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM C[C@@H](CNC(=O)c1ccco1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001397372468 999023921 /nfs/dbraw/zinc/02/39/21/999023921.db2.gz ZLYSIYXAJJFMEW-QMMMGPOBSA-N -1 0 320.305 -0.373 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)Cn2cccn2)c1[O-] ZINC001397375444 999024813 /nfs/dbraw/zinc/02/48/13/999024813.db2.gz LJHMJWKZXSSSKV-QMMMGPOBSA-N -1 0 306.326 -0.445 20 0 DBADRM CCn1cc(C(=O)N[C@H](C)CNC(=O)c2[nH]nc(C)c2[O-])nn1 ZINC001397413152 999039398 /nfs/dbraw/zinc/03/93/98/999039398.db2.gz ATCWFWMZGJCWQR-SSDOTTSWSA-N -1 0 321.341 -0.417 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)C[C@H]1CCC(=O)N1 ZINC001397565513 999082084 /nfs/dbraw/zinc/08/20/84/999082084.db2.gz CRZMXBRDWFHABR-ZJUUUORDSA-N -1 0 322.369 -0.788 20 0 DBADRM CC1(C(=O)NC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001397698788 999113970 /nfs/dbraw/zinc/11/39/70/999113970.db2.gz LYHGOELCCYDWTO-VIFPVBQESA-N -1 0 323.353 -0.546 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2ccnn2C)c1[O-] ZINC001397882284 999158933 /nfs/dbraw/zinc/15/89/33/999158933.db2.gz NGHWORQGUWUDKN-UHFFFAOYSA-N -1 0 306.326 -0.341 20 0 DBADRM Cc1cc(CC(=O)N(C)CCNC(=O)c2[nH]nc(C)c2[O-])[nH]n1 ZINC001397893449 999161879 /nfs/dbraw/zinc/16/18/79/999161879.db2.gz ATPTYVYBMRVTPK-UHFFFAOYSA-N -1 0 320.353 -0.114 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@]2(C)CCC(=O)N2)c1[O-] ZINC001397894299 999162614 /nfs/dbraw/zinc/16/26/14/999162614.db2.gz PJMWOYQEFDWRLE-AWEZNQCLSA-N -1 0 323.353 -0.719 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2cnnn2C)c1[O-] ZINC001397894013 999162890 /nfs/dbraw/zinc/16/28/90/999162890.db2.gz DDMRTHUQBHHVCT-UHFFFAOYSA-N -1 0 307.314 -0.946 20 0 DBADRM CC[C@@H](C)CC(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397979408 999187746 /nfs/dbraw/zinc/18/77/46/999187746.db2.gz PBGNMMVLYBBQNT-MRVPVSSYSA-N -1 0 311.342 -0.093 20 0 DBADRM CCN(CCNC(=O)Cn1cccn1)C(=O)c1n[nH]c(C)c1[O-] ZINC001398064012 999205993 /nfs/dbraw/zinc/20/59/93/999205993.db2.gz QWRZANSOVMPHIZ-UHFFFAOYSA-N -1 0 320.353 -0.101 20 0 DBADRM CC1(C(=O)N2CCC[C@@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001398191865 999220469 /nfs/dbraw/zinc/22/04/69/999220469.db2.gz UNRGNZZKACHTJL-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001398356336 999256974 /nfs/dbraw/zinc/25/69/74/999256974.db2.gz OQIUOZGFOFMXEN-ZYHUDNBSSA-N -1 0 323.397 -0.002 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](NCc2ncnn2C)C2CC2)c1[O-] ZINC001398386921 999261649 /nfs/dbraw/zinc/26/16/49/999261649.db2.gz PJPXIUDVZJGONY-JTQLQIEISA-N -1 0 319.369 -0.150 20 0 DBADRM CCCC1(C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001398654138 999328969 /nfs/dbraw/zinc/32/89/69/999328969.db2.gz OQTYDRTVLAYMKE-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CC(C)C(=O)NCC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001398718540 999344943 /nfs/dbraw/zinc/34/49/43/999344943.db2.gz HUOVYQJWIVEQGG-UHFFFAOYSA-N -1 0 308.338 -0.670 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001398780468 999356006 /nfs/dbraw/zinc/35/60/06/999356006.db2.gz KNNCOKOSTBFXDT-GXSJLCMTSA-N -1 0 324.385 -0.637 20 0 DBADRM CCC(=O)N(CC)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001398826648 999362697 /nfs/dbraw/zinc/36/26/97/999362697.db2.gz BIGKEWYZRPBFOA-QMMMGPOBSA-N -1 0 309.326 -0.244 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(CCNC(=O)C3CC3)C2)c1[O-] ZINC001494541194 1016311868 /nfs/dbraw/zinc/31/18/68/1016311868.db2.gz DOMVSMKSTJCWGH-UHFFFAOYSA-N -1 0 321.381 -0.388 20 0 DBADRM CC[C@@H](CNC(=O)C1CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001398864540 999367798 /nfs/dbraw/zinc/36/77/98/999367798.db2.gz BOXUZGZNXHAHRC-QMMMGPOBSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(C)[C@@H](O)C(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001399488168 999435637 /nfs/dbraw/zinc/43/56/37/999435637.db2.gz ONEOMHUIACUHQW-CQSZACIVSA-N -1 0 321.381 -0.413 20 0 DBADRM CN(CCNC(=O)CCn1ccccc1=O)Cc1n[nH]c(=O)[n-]1 ZINC001399490427 999436786 /nfs/dbraw/zinc/43/67/86/999436786.db2.gz TUUBEYVYLVKGIT-UHFFFAOYSA-N -1 0 320.353 -0.690 20 0 DBADRM Cc1cc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)on1 ZINC001399500459 999438815 /nfs/dbraw/zinc/43/88/15/999438815.db2.gz IBCWWEICXADWHR-UHFFFAOYSA-N -1 0 308.298 -0.559 20 0 DBADRM CCCC(=O)NC[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)C ZINC001399547083 999444303 /nfs/dbraw/zinc/44/43/03/999444303.db2.gz IBMJPMANDLAFKG-QMMMGPOBSA-N -1 0 311.342 -0.047 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)c2cnnn2C)c1[O-] ZINC001399679780 999463923 /nfs/dbraw/zinc/46/39/23/999463923.db2.gz JWDNCMDVRGDEPG-UHFFFAOYSA-N -1 0 321.341 -0.604 20 0 DBADRM CN(CCN(C)C(=O)C1(C)CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001399704054 999467512 /nfs/dbraw/zinc/46/75/12/999467512.db2.gz FAIWNVQOHDYXTA-UHFFFAOYSA-N -1 0 311.342 -0.594 20 0 DBADRM CCN(CCNC(=O)CN1CCCCC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001399731850 999470795 /nfs/dbraw/zinc/47/07/95/999470795.db2.gz PKNVTHZVSGQNBF-UHFFFAOYSA-N -1 0 324.385 -0.539 20 0 DBADRM CC(C)CC(=O)NC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001494569260 1016325060 /nfs/dbraw/zinc/32/50/60/1016325060.db2.gz DFSJDSNVMYCFTK-VIFPVBQESA-N -1 0 310.354 -0.234 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)c1cccs1 ZINC001399883837 999513590 /nfs/dbraw/zinc/51/35/90/999513590.db2.gz FYVDTBHBTUPJBE-ZCFIWIBFSA-N -1 0 323.334 -0.107 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2ccnn2C)c1[O-] ZINC001400167171 999574650 /nfs/dbraw/zinc/57/46/50/999574650.db2.gz NJLIKHVMYXHJLD-ZETCQYMHSA-N -1 0 306.326 -0.294 20 0 DBADRM CS[C@H](C)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001400262567 999595854 /nfs/dbraw/zinc/59/58/54/999595854.db2.gz KTGNXAHDLNXPLX-NTSWFWBYSA-N -1 0 315.355 -0.731 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N[C@](C)(COC)CC(=O)[O-] ZINC001597224108 1017190677 /nfs/dbraw/zinc/19/06/77/1017190677.db2.gz KVPDPBIXDNHYIX-KWQFWETISA-N -1 0 310.372 -0.690 20 0 DBADRM CCS(=O)(=O)CC(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001597207739 1017188790 /nfs/dbraw/zinc/18/87/90/1017188790.db2.gz LJBBQYSXPAJUEA-JTQLQIEISA-N -1 0 309.340 -0.810 20 0 DBADRM CCS(=O)(=O)CCCCCN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001597209442 1017188891 /nfs/dbraw/zinc/18/88/91/1017188891.db2.gz CXAHHSCMPIMBFS-NSHDSACASA-N -1 0 320.411 -0.134 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001597210207 1017189082 /nfs/dbraw/zinc/18/90/82/1017189082.db2.gz OLIVWOAGSKQQFZ-MRVPVSSYSA-N -1 0 315.413 -0.160 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001597208507 1017189119 /nfs/dbraw/zinc/18/91/19/1017189119.db2.gz VPVWYUMEKCDRNA-MRVPVSSYSA-N -1 0 309.340 -0.856 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)NCC2(C(=O)[O-])CC2)CC1 ZINC001597220768 1017191664 /nfs/dbraw/zinc/19/16/64/1017191664.db2.gz FJTFYZGSEGRXBT-UHFFFAOYSA-N -1 0 319.383 -0.472 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC001597225496 1017192324 /nfs/dbraw/zinc/19/23/24/1017192324.db2.gz RCXOKCPJBYMZJX-SNVBAGLBSA-N -1 0 301.324 -0.737 20 0 DBADRM CC[S@@](=O)CCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001597248756 1017192867 /nfs/dbraw/zinc/19/28/67/1017192867.db2.gz CABPQPSKWAHLJQ-GSDQLPOLSA-N -1 0 304.368 -0.806 20 0 DBADRM CC[S@@](=O)CCNC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001597249012 1017193026 /nfs/dbraw/zinc/19/30/26/1017193026.db2.gz FMQGZAIPGZFDAE-LRTDBIEQSA-N -1 0 318.395 -0.416 20 0 DBADRM CC[S@@](=O)CCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001597248735 1017193152 /nfs/dbraw/zinc/19/31/52/1017193152.db2.gz BIJFPYIMYPCECJ-HXUWFJFHSA-N -1 0 304.368 -0.806 20 0 DBADRM CN(C1(CO)CCC1)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591038518 1016376568 /nfs/dbraw/zinc/37/65/68/1016376568.db2.gz WGVPBTQTERVRBK-UHFFFAOYSA-N -1 0 324.366 -0.203 20 0 DBADRM Cc1cnn(CC(=O)N[C@H](C)CNC(=O)c2[nH]nc(C)c2[O-])c1 ZINC001494682854 1016378375 /nfs/dbraw/zinc/37/83/75/1016378375.db2.gz YDDRFLLOJUSRSW-SECBINFHSA-N -1 0 320.353 -0.137 20 0 DBADRM CN(C[C@@H]1CCCCO1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591055858 1016378830 /nfs/dbraw/zinc/37/88/30/1016378830.db2.gz HXWCXJVLCFXVBZ-QMMMGPOBSA-N -1 0 321.341 -0.741 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)C(C)(C)C ZINC001591106027 1016389357 /nfs/dbraw/zinc/38/93/57/1016389357.db2.gz JRBQLXUOKQGJJX-UHFFFAOYSA-N -1 0 304.358 -0.005 20 0 DBADRM CC(C)C[C@H](C(N)=O)C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001591124403 1016390905 /nfs/dbraw/zinc/39/09/05/1016390905.db2.gz PPYHIBNWJANZGC-HBNTYKKESA-N -1 0 300.355 -0.013 20 0 DBADRM CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001591124237 1016390965 /nfs/dbraw/zinc/39/09/65/1016390965.db2.gz JYULUBSLIXNDFC-CIUDSAMLSA-N -1 0 301.343 -0.772 20 0 DBADRM CC(C)C[C@H](C(N)=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001591123925 1016394166 /nfs/dbraw/zinc/39/41/66/1016394166.db2.gz BLKYBMIDQUATIR-OTYXRUKQSA-N -1 0 311.338 -0.034 20 0 DBADRM CN(CCNC(=O)CCC1CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001408540000 1000215047 /nfs/dbraw/zinc/21/50/47/1000215047.db2.gz DWKVMJHPFORGHI-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CN([C@@H]1CCC[C@H]1O)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591155522 1016394856 /nfs/dbraw/zinc/39/48/56/1016394856.db2.gz YCIAKGPHEZAWBO-HTQZYQBOSA-N -1 0 313.339 -0.006 20 0 DBADRM CN(c1ncccn1)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC001591161913 1016396070 /nfs/dbraw/zinc/39/60/70/1016396070.db2.gz HNADBHAJEXYINX-UHFFFAOYSA-N -1 0 318.322 -0.123 20 0 DBADRM CN(OCC(F)(F)F)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001591154011 1016396839 /nfs/dbraw/zinc/39/68/39/1016396839.db2.gz BFMXZSZPBPITMU-UHFFFAOYSA-N -1 0 306.208 -0.590 20 0 DBADRM CC(C)C[C@H](C(N)=O)C(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001591124466 1016397798 /nfs/dbraw/zinc/39/77/98/1016397798.db2.gz SOMBSIVSXNGPCQ-SNVBAGLBSA-N -1 0 323.353 -0.150 20 0 DBADRM CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1n[nH]c(=O)[n-]1 ZINC001591143858 1016397446 /nfs/dbraw/zinc/39/74/46/1016397446.db2.gz CYEFTMZWDPUBOQ-UHFFFAOYSA-N -1 0 300.282 -0.037 20 0 DBADRM CCCC(=O)N(C)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001408653214 1000262358 /nfs/dbraw/zinc/26/23/58/1000262358.db2.gz DQZKQXPXCGOGSC-UHFFFAOYSA-N -1 0 320.353 -0.554 20 0 DBADRM CN(Cc1nccs1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591152718 1016398728 /nfs/dbraw/zinc/39/87/28/1016398728.db2.gz LBEYUIDZTWVTCK-UHFFFAOYSA-N -1 0 320.338 -0.653 20 0 DBADRM CN(c1ccnc(-c2nn[nH]n2)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001591157406 1016398778 /nfs/dbraw/zinc/39/87/78/1016398778.db2.gz INQXPZAPPRNCRS-JTQLQIEISA-N -1 0 323.382 -0.268 20 0 DBADRM CC(C)(C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1c[nH]cn1 ZINC001420888860 1000283454 /nfs/dbraw/zinc/28/34/54/1000283454.db2.gz SQCQYTQOIXSZOA-SECBINFHSA-N -1 0 319.369 -0.098 20 0 DBADRM O=C(CC[C@H]1CC[C@H](C2OCCO2)O1)NCc1nc(=O)o[n-]1 ZINC001420896639 1000284900 /nfs/dbraw/zinc/28/49/00/1000284900.db2.gz OGLFKJSTQYUPAW-RKDXNWHRSA-N -1 0 313.310 -0.320 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1Cc1ccns1 ZINC001420900405 1000286365 /nfs/dbraw/zinc/28/63/65/1000286365.db2.gz YUSMQMQABFTRLK-QMMMGPOBSA-N -1 0 324.366 -0.464 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N(CCNC(=O)C1CCC1)C1CC1 ZINC001408891654 1000314119 /nfs/dbraw/zinc/31/41/19/1000314119.db2.gz DDPBZQVJWGZSAD-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CC(=O)N[C@@H](C)C3CC3)C2)c1[O-] ZINC001421023857 1000333975 /nfs/dbraw/zinc/33/39/75/1000333975.db2.gz HTPSAJVVABWNAU-QMMMGPOBSA-N -1 0 321.381 -0.248 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001409042034 1000339166 /nfs/dbraw/zinc/33/91/66/1000339166.db2.gz JTGMZQHLPPBFEF-MRVPVSSYSA-N -1 0 323.353 -0.721 20 0 DBADRM CN(C(=O)CCCn1cncn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421080479 1000356687 /nfs/dbraw/zinc/35/66/87/1000356687.db2.gz UDRPTLCMNSZGOG-UHFFFAOYSA-N -1 0 320.357 -0.775 20 0 DBADRM CC(C)[C@@H](F)C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001409093049 1000362072 /nfs/dbraw/zinc/36/20/72/1000362072.db2.gz RDTTZXQFJWFUAZ-SECBINFHSA-N -1 0 315.305 -0.990 20 0 DBADRM CC(C)C[C@H](NC(=O)Cn1cnc2c(c1=O)COCC2)C(=O)[O-] ZINC001591177699 1016408442 /nfs/dbraw/zinc/40/84/42/1016408442.db2.gz HYYHBHWSIVDPGM-LBPRGKRZSA-N -1 0 323.349 -0.069 20 0 DBADRM CC[C@H](CNC(=O)C(C)(C)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001409220155 1000401576 /nfs/dbraw/zinc/40/15/76/1000401576.db2.gz LTLOVDYOHTUOBI-SSDOTTSWSA-N -1 0 317.321 -0.552 20 0 DBADRM C[C@]1(NC(=O)C[C@H]2CCNC2=O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421207810 1000406908 /nfs/dbraw/zinc/40/69/08/1000406908.db2.gz WCXQROXTCBERCJ-OTYXRUKQSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@]1(NC(=O)C[C@@H]2CCNC2=O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421207812 1000407417 /nfs/dbraw/zinc/40/74/17/1000407417.db2.gz WCXQROXTCBERCJ-XPTSAGLGSA-N -1 0 322.369 -0.883 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CCCF ZINC001409389858 1000444753 /nfs/dbraw/zinc/44/47/53/1000444753.db2.gz SUOLZKOPQKWYQG-ZETCQYMHSA-N -1 0 315.305 -0.343 20 0 DBADRM CCC(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCCC1 ZINC001409427356 1000453117 /nfs/dbraw/zinc/45/31/17/1000453117.db2.gz FGXIHOCPQXLDHV-UHFFFAOYSA-N -1 0 311.342 -0.356 20 0 DBADRM CC(C)C[C@]1(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)CCNC1=O ZINC001591191763 1016414889 /nfs/dbraw/zinc/41/48/89/1016414889.db2.gz FQKRSRGKMNEADT-CYBMUJFWSA-N -1 0 309.326 -0.077 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421380814 1000474409 /nfs/dbraw/zinc/47/44/09/1000474409.db2.gz TYQKSMVVOAHSGN-UEKVPHQBSA-N -1 0 323.397 -0.001 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421380801 1000475110 /nfs/dbraw/zinc/47/51/10/1000475110.db2.gz TYQKSMVVOAHSGN-HFAKWTLXSA-N -1 0 323.397 -0.001 20 0 DBADRM C[C@@H](CNC(=O)c1csc(=O)[nH]1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001409614400 1000485853 /nfs/dbraw/zinc/48/58/53/1000485853.db2.gz VJNBKZLMKJGACR-LURJTMIESA-N -1 0 312.355 -0.077 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H]1CNC(=O)C(F)F ZINC001409612838 1000486740 /nfs/dbraw/zinc/48/67/40/1000486740.db2.gz CCYRJBDIEXIROR-ZCFIWIBFSA-N -1 0 319.268 -0.938 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001409625827 1000488405 /nfs/dbraw/zinc/48/84/05/1000488405.db2.gz PNKIWQVFJDEVQH-MRVPVSSYSA-N -1 0 312.374 -0.639 20 0 DBADRM CCn1ccc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001409639149 1000493722 /nfs/dbraw/zinc/49/37/22/1000493722.db2.gz QKUMAWPPTCFMMR-SECBINFHSA-N -1 0 307.358 -0.023 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)Cn2nccn2)c1[O-] ZINC001409691447 1000508916 /nfs/dbraw/zinc/50/89/16/1000508916.db2.gz AGDDWSXFIVYHRQ-QMMMGPOBSA-N -1 0 321.341 -0.802 20 0 DBADRM C[C@H](NC(=O)[C@H](C)n1cccn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001409837767 1000536759 /nfs/dbraw/zinc/53/67/59/1000536759.db2.gz IAJZTXRPPVCXFI-UWVGGRQHSA-N -1 0 319.369 -0.096 20 0 DBADRM C[C@H](NC(=O)C[C@H]1CCC(=O)N1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001409903075 1000547915 /nfs/dbraw/zinc/54/79/15/1000547915.db2.gz HMTIODRCMPHACH-WCBMZHEXSA-N -1 0 322.369 -0.885 20 0 DBADRM CCCC(=O)NC[C@H](O)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001410026855 1000578907 /nfs/dbraw/zinc/57/89/07/1000578907.db2.gz IDOSDQNAHSUAHV-QMMMGPOBSA-N -1 0 322.321 -0.065 20 0 DBADRM COC[C@H](C)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001421695372 1000594240 /nfs/dbraw/zinc/59/42/40/1000594240.db2.gz URHDGYNCHGHKJH-UWVGGRQHSA-N -1 0 313.358 -0.890 20 0 DBADRM CN1CCO[C@H](C(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)C1 ZINC001591194911 1016421395 /nfs/dbraw/zinc/42/13/95/1016421395.db2.gz MNGJFPYQPFYOAL-NSHDSACASA-N -1 0 304.310 -0.393 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591203920 1016426884 /nfs/dbraw/zinc/42/68/84/1016426884.db2.gz NWYBBWBMWCZIRI-SNVBAGLBSA-N -1 0 316.321 -0.077 20 0 DBADRM CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591209479 1016431624 /nfs/dbraw/zinc/43/16/24/1016431624.db2.gz ITKLARVFEAMKEJ-RXMQYKEDSA-N -1 0 308.254 -0.539 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@@H]2CCNC(=O)C2)c1[O-] ZINC001410338823 1000728695 /nfs/dbraw/zinc/72/86/95/1000728695.db2.gz MRNVAQWKRNZEPO-IONNQARKSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)Cc2cnnn2C)c1[O-] ZINC001422156934 1000744369 /nfs/dbraw/zinc/74/43/69/1000744369.db2.gz NQYZJUGRCZAOKU-UHFFFAOYSA-N -1 0 307.358 -0.244 20 0 DBADRM C[C@@H](CNC(=O)C1(CF)CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001410430401 1000766714 /nfs/dbraw/zinc/76/67/14/1000766714.db2.gz QSOPOLAEYNTPLL-ZETCQYMHSA-N -1 0 315.305 -0.940 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](CO)C1 ZINC001422218597 1000770298 /nfs/dbraw/zinc/77/02/98/1000770298.db2.gz NQKAHBSKPSIFKP-VIFPVBQESA-N -1 0 313.358 -0.076 20 0 DBADRM CCCC(=O)NC[C@@H]1CCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001410529115 1000793073 /nfs/dbraw/zinc/79/30/73/1000793073.db2.gz YGELVWFDVNGBSK-VIFPVBQESA-N -1 0 323.353 -0.267 20 0 DBADRM Cc1cnc(CNC[C@@H](O)CNC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001422275855 1000796800 /nfs/dbraw/zinc/79/68/00/1000796800.db2.gz FAIPEJLRZCDZSO-SECBINFHSA-N -1 0 309.326 -0.399 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001410557206 1000803646 /nfs/dbraw/zinc/80/36/46/1000803646.db2.gz VHHLPXVTMAHSED-BDAKNGLRSA-N -1 0 311.342 -0.548 20 0 DBADRM COC(=O)C(=O)CCCn1nc(C)c(C)c(-c2nnn[n-]2)c1=O ZINC001591225970 1016442714 /nfs/dbraw/zinc/44/27/14/1016442714.db2.gz GVRSJRRGJYJPMA-UHFFFAOYSA-N -1 0 320.309 -0.437 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C1(F)CCCC1 ZINC001410675643 1000854955 /nfs/dbraw/zinc/85/49/55/1000854955.db2.gz WSKNNKSGOSIABY-QMMMGPOBSA-N -1 0 301.322 -0.641 20 0 DBADRM CC[C@H](C)C(=O)NCC1(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001410681412 1000857650 /nfs/dbraw/zinc/85/76/50/1000857650.db2.gz XNEQODVXNJOPHY-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM O=C(CC1CCC1)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001410772887 1000894577 /nfs/dbraw/zinc/89/45/77/1000894577.db2.gz MGFVLFZIARLRBP-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM COc1ccc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001410773174 1000894873 /nfs/dbraw/zinc/89/48/73/1000894873.db2.gz BGOWPVTUGWSTDJ-SNVBAGLBSA-N -1 0 321.337 -0.601 20 0 DBADRM COC(=O)[C@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001591235453 1016445525 /nfs/dbraw/zinc/44/55/25/1016445525.db2.gz TXDNAXUBJLLGKQ-HTRCEHHLSA-N -1 0 320.313 -0.913 20 0 DBADRM COC(=O)C1(Cn2nc(C)c(C)c(-c3nnn[n-]3)c2=O)CC1 ZINC001591242913 1016445770 /nfs/dbraw/zinc/44/57/70/1016445770.db2.gz ZVHHSZORSDUQKV-UHFFFAOYSA-N -1 0 304.310 -0.007 20 0 DBADRM COc1ccc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001422581994 1000917267 /nfs/dbraw/zinc/91/72/67/1000917267.db2.gz LDXJFVOIHWDCEY-QMMMGPOBSA-N -1 0 321.341 -0.441 20 0 DBADRM COC(=O)[C@H]1C[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)o2)CN1C ZINC001591247369 1016451332 /nfs/dbraw/zinc/45/13/32/1016451332.db2.gz BMEGADDSILJIRP-HTQZYQBOSA-N -1 0 321.293 -0.138 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001422642583 1000952675 /nfs/dbraw/zinc/95/26/75/1000952675.db2.gz OAFXAWLKOGKDAJ-WDEREUQCSA-N -1 0 321.381 -0.391 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC(=O)N(C)C1 ZINC001597777913 1017205646 /nfs/dbraw/zinc/20/56/46/1017205646.db2.gz JZEZGLRSGOEWFI-UHFFFAOYSA-N -1 0 302.308 -0.040 20 0 DBADRM CCC1(C(=O)NC2(CCO)CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001422644349 1000955064 /nfs/dbraw/zinc/95/50/64/1000955064.db2.gz UEXVJVATFIKMHJ-UHFFFAOYSA-N -1 0 309.370 -0.247 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CCCC(N)=O)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001410926912 1000962698 /nfs/dbraw/zinc/96/26/98/1000962698.db2.gz NDABCHCSHWTUKJ-ZJUUUORDSA-N -1 0 324.385 -0.365 20 0 DBADRM COC(=O)CC1(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001591260353 1016454746 /nfs/dbraw/zinc/45/47/46/1016454746.db2.gz UIYCZTCFFQIXSE-ZETCQYMHSA-N -1 0 320.313 -0.769 20 0 DBADRM C[C@H](NC(=O)C[C@H]1COC(=O)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001422722439 1000984618 /nfs/dbraw/zinc/98/46/18/1000984618.db2.gz UCDWNQQTXQXGBU-DTWKUNHWSA-N -1 0 323.353 -0.600 20 0 DBADRM COC(=O)CCNS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001591265545 1016456310 /nfs/dbraw/zinc/45/63/10/1016456310.db2.gz RVIBEPJLTJLLDV-UHFFFAOYSA-N -1 0 317.352 -0.230 20 0 DBADRM CN(C(=O)CCc1cn[nH]c1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001494852544 1016457487 /nfs/dbraw/zinc/45/74/87/1016457487.db2.gz NARZHJDVZIDPSM-NSHDSACASA-N -1 0 319.369 -0.101 20 0 DBADRM CNC(=O)CCCC(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001422815815 1001020731 /nfs/dbraw/zinc/02/07/31/1001020731.db2.gz YSKKDFSLCQGFDZ-VIFPVBQESA-N -1 0 312.374 -0.637 20 0 DBADRM Cc1nnccc1C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001422836019 1001027421 /nfs/dbraw/zinc/02/74/21/1001027421.db2.gz PPLKYRCXYBCPFY-QMMMGPOBSA-N -1 0 305.342 -0.141 20 0 DBADRM C[C@@]1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(C(=O)C2CC2)C1 ZINC001411134885 1001032385 /nfs/dbraw/zinc/03/23/85/1001032385.db2.gz DRIXFAQWHLSXLT-AWEZNQCLSA-N -1 0 323.353 -0.546 20 0 DBADRM COC(=O)[C@H]1CCCN(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001591282669 1016465822 /nfs/dbraw/zinc/46/58/22/1016465822.db2.gz FHNJZCNHTFNKIW-JTQLQIEISA-N -1 0 318.337 -0.129 20 0 DBADRM O=C(CCc1ncccn1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001423126723 1001129284 /nfs/dbraw/zinc/12/92/84/1001129284.db2.gz AGBTULGFOGKDON-JTQLQIEISA-N -1 0 317.353 -0.376 20 0 DBADRM CCC(=O)NCC(C)(C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001411461072 1001129657 /nfs/dbraw/zinc/12/96/57/1001129657.db2.gz PSWKFTVSXOFSQV-UHFFFAOYSA-N -1 0 311.342 -0.093 20 0 DBADRM COCc1nccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001411472196 1001131606 /nfs/dbraw/zinc/13/16/06/1001131606.db2.gz RZVBAEUYZIUZEG-UHFFFAOYSA-N -1 0 315.293 -0.354 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c2ncnn21 ZINC001411481736 1001134886 /nfs/dbraw/zinc/13/48/86/1001134886.db2.gz SRRIWSRKXQJZBT-VXNVDRBHSA-N -1 0 314.309 -0.515 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CC(=O)NC2CC2)c1 ZINC001591286616 1016471988 /nfs/dbraw/zinc/47/19/88/1016471988.db2.gz MFBMBGPWNTVBJJ-UHFFFAOYSA-N -1 0 318.293 -0.906 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001591289774 1016472106 /nfs/dbraw/zinc/47/21/06/1016472106.db2.gz MZVDOSZVBXYXCN-IUCAKERBSA-N -1 0 309.388 -0.614 20 0 DBADRM Cn1cncc1CC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001423168944 1001144115 /nfs/dbraw/zinc/14/41/15/1001144115.db2.gz HTZAATBBECYFPN-VIFPVBQESA-N -1 0 305.342 -0.823 20 0 DBADRM CC[C@](C)(NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(N)=O ZINC001411559473 1001161549 /nfs/dbraw/zinc/16/15/49/1001161549.db2.gz BGHDBYDBZJYEBB-LBPRGKRZSA-N -1 0 314.367 -0.163 20 0 DBADRM COC(=O)c1cccc(Cn2cncc(-c3nnn[n-]3)c2=O)n1 ZINC001591302563 1016474164 /nfs/dbraw/zinc/47/41/64/1016474164.db2.gz PRGZDIRGTDYVNW-UHFFFAOYSA-N -1 0 313.277 -0.347 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC[C@H]1C(=O)Nc2ccccc21 ZINC001411619085 1001179232 /nfs/dbraw/zinc/17/92/32/1001179232.db2.gz QDCRBLOLFGOULK-SECBINFHSA-N -1 0 317.305 -0.069 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C1=CCCC1 ZINC001411627235 1001182502 /nfs/dbraw/zinc/18/25/02/1001182502.db2.gz NXHOPMREYPWDKF-QMMMGPOBSA-N -1 0 321.337 -0.030 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)C(C)(C)F ZINC001411628729 1001183158 /nfs/dbraw/zinc/18/31/58/1001183158.db2.gz DVJVOLKMRPSKFA-ZETCQYMHSA-N -1 0 317.321 -0.600 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNC(=O)c2cnon2)c1[O-] ZINC001411647340 1001189021 /nfs/dbraw/zinc/18/90/21/1001189021.db2.gz NLSQLYXBSXXFHI-LURJTMIESA-N -1 0 308.298 -0.303 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2nc(C)no2)c1 ZINC001591285704 1016470167 /nfs/dbraw/zinc/47/01/67/1016470167.db2.gz NAWUFDBSWXCRMV-UHFFFAOYSA-N -1 0 317.265 -0.445 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNC(=O)Cc2ncc[nH]2)c1[O-] ZINC001411654922 1001190937 /nfs/dbraw/zinc/19/09/37/1001190937.db2.gz FRHNFVSXVNHFSR-QMMMGPOBSA-N -1 0 320.353 -0.034 20 0 DBADRM Cn1cc(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])ccc1=O ZINC001411674326 1001194419 /nfs/dbraw/zinc/19/44/19/1001194419.db2.gz ZIUYOYLVJBIPSF-UHFFFAOYSA-N -1 0 323.330 -0.009 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC001411671843 1001195108 /nfs/dbraw/zinc/19/51/08/1001195108.db2.gz TVQSCSVHUFKFBO-UHFFFAOYSA-N -1 0 305.250 -0.341 20 0 DBADRM NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCc1nnn[n-]1 ZINC001411688799 1001197523 /nfs/dbraw/zinc/19/75/23/1001197523.db2.gz DMDQFYWRIFYLPB-LLVKDONJSA-N -1 0 302.338 -0.265 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCc1nnn[n-]1 ZINC001411688805 1001197739 /nfs/dbraw/zinc/19/77/39/1001197739.db2.gz DMDQFYWRIFYLPB-NSHDSACASA-N -1 0 302.338 -0.265 20 0 DBADRM Cc1ccc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)cc1F ZINC001423248617 1001203473 /nfs/dbraw/zinc/20/34/73/1001203473.db2.gz UATPBPWOFFHPKL-JTQLQIEISA-N -1 0 323.328 -0.162 20 0 DBADRM C[C@@H](CN1CCCC1=O)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001411732410 1001208637 /nfs/dbraw/zinc/20/86/37/1001208637.db2.gz YKZJYXBVVHFIJM-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM CN(CCN1CCOCC1)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001411740475 1001211399 /nfs/dbraw/zinc/21/13/99/1001211399.db2.gz FEQBCEUHIFIZIA-UHFFFAOYSA-N -1 0 301.372 -0.607 20 0 DBADRM CO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001591319786 1016474635 /nfs/dbraw/zinc/47/46/35/1016474635.db2.gz HHKGIFOXHRLNHD-SSDOTTSWSA-N -1 0 311.323 -0.294 20 0 DBADRM O=C(Cc1cnn2c1CCCC2)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001411774918 1001222015 /nfs/dbraw/zinc/22/20/15/1001222015.db2.gz KUFKCGZXBJWTTC-LBPRGKRZSA-N -1 0 317.353 -0.125 20 0 DBADRM CCc1noc(COCC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)n1 ZINC001597750515 1017206750 /nfs/dbraw/zinc/20/67/50/1017206750.db2.gz CNJKGQZQSWXHEH-IUCAKERBSA-N -1 0 313.310 -0.151 20 0 DBADRM C[C@H]1CNc2c(C(=O)N3CCO[C@H](c4nnn[n-]4)C3)cnn2C1 ZINC001411785321 1001227265 /nfs/dbraw/zinc/22/72/65/1001227265.db2.gz ZOHBOAUSRYDXPL-WPRPVWTQSA-N -1 0 318.341 -0.329 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001591314831 1016476076 /nfs/dbraw/zinc/47/60/76/1016476076.db2.gz CFXXPOBORQDNNC-QWRGUYRKSA-N -1 0 317.305 -0.450 20 0 DBADRM O=C(NC[C@H](O)COc1cccc(F)c1)c1n[nH]c(=O)[n-]c1=O ZINC001411904775 1001244218 /nfs/dbraw/zinc/24/42/18/1001244218.db2.gz VUCXTOUXZQIWLL-QMMMGPOBSA-N -1 0 324.268 -0.408 20 0 DBADRM COc1cccc([C@H](O)CNC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001411900566 1001244349 /nfs/dbraw/zinc/24/43/49/1001244349.db2.gz PLDUXVBKWJMHIQ-SNVBAGLBSA-N -1 0 308.294 -0.452 20 0 DBADRM O=C(NC[C@@H](O)COc1cccc(F)c1)c1n[nH]c(=O)[n-]c1=O ZINC001411904731 1001245480 /nfs/dbraw/zinc/24/54/80/1001245480.db2.gz VUCXTOUXZQIWLL-MRVPVSSYSA-N -1 0 324.268 -0.408 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCS[C@H]2COCC[C@@H]21 ZINC001411909792 1001247067 /nfs/dbraw/zinc/24/70/67/1001247067.db2.gz CTRMZTBGALXSCK-YUMQZZPRSA-N -1 0 300.340 -0.578 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NC3(C(N)=O)CC3)cc2=O)n1 ZINC001411911899 1001247973 /nfs/dbraw/zinc/24/79/73/1001247973.db2.gz HUYSWGPLURTELL-UHFFFAOYSA-N -1 0 316.321 -0.680 20 0 DBADRM CO[C@@H](C)c1noc(Cn2cnc(-c3nnn[n-]3)cc2=O)n1 ZINC001591325810 1016478543 /nfs/dbraw/zinc/47/85/43/1016478543.db2.gz ZOVHDCNRARYPIK-LURJTMIESA-N -1 0 304.270 -0.438 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)c1nc[n-]c(=O)c1Br ZINC001411950527 1001260261 /nfs/dbraw/zinc/26/02/61/1001260261.db2.gz LQHXHNCXDCQZJP-BYPYZUCNSA-N -1 0 320.099 -0.792 20 0 DBADRM C[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@@H]1O ZINC001411989206 1001271119 /nfs/dbraw/zinc/27/11/19/1001271119.db2.gz KPYKNICLTYYZEC-UFBFGSQYSA-N -1 0 314.363 -0.118 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001411999101 1001274973 /nfs/dbraw/zinc/27/49/73/1001274973.db2.gz DFVMZPCYBXSZCR-UHFFFAOYSA-N -1 0 312.351 -0.471 20 0 DBADRM O=C(CCc1nnn[n-]1)NCc1ccc2c(c1)C(=O)NCC2 ZINC001412002659 1001275054 /nfs/dbraw/zinc/27/50/54/1001275054.db2.gz KRKAKVWXUXBVDF-UHFFFAOYSA-N -1 0 300.322 -0.265 20 0 DBADRM COC(=O)C[C@@]1(NC(=O)c2c[n-]n3c2nccc3=O)CCOC1 ZINC001412014332 1001277637 /nfs/dbraw/zinc/27/76/37/1001277637.db2.gz ZXILFTNVUQUHPM-AWEZNQCLSA-N -1 0 320.305 -0.525 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOCC2(CCOCC2)C1 ZINC001412018496 1001279532 /nfs/dbraw/zinc/27/95/32/1001279532.db2.gz JARWNDFGWZMMIU-UHFFFAOYSA-N -1 0 312.326 -0.655 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC001412022767 1001280505 /nfs/dbraw/zinc/28/05/05/1001280505.db2.gz TYUOEPXAAOREBN-RKDXNWHRSA-N -1 0 310.310 -0.714 20 0 DBADRM COCCn1cc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)cn1 ZINC001412041173 1001285963 /nfs/dbraw/zinc/28/59/63/1001285963.db2.gz HOVKZFBQMTZCIQ-UHFFFAOYSA-N -1 0 324.341 -0.371 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cn1 ZINC001412058058 1001291234 /nfs/dbraw/zinc/29/12/34/1001291234.db2.gz LKQMOWXEYMPSKR-VIFPVBQESA-N -1 0 301.310 -0.287 20 0 DBADRM CS(=O)(=O)[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001412059648 1001292479 /nfs/dbraw/zinc/29/24/79/1001292479.db2.gz WXNPZDBLKGEBMS-MRVPVSSYSA-N -1 0 310.335 -0.718 20 0 DBADRM Cn1cc(CCC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)nn1 ZINC001412065678 1001293389 /nfs/dbraw/zinc/29/33/89/1001293389.db2.gz MHXNUCRYBFNWSX-SECBINFHSA-N -1 0 305.342 -0.022 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cncc(N2CCCC2)n1 ZINC001412072898 1001294344 /nfs/dbraw/zinc/29/43/44/1001294344.db2.gz IXRUHBRZJYBMTL-UHFFFAOYSA-N -1 0 304.310 -0.274 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNCc2ncccn2)c1[O-] ZINC001423432275 1001299489 /nfs/dbraw/zinc/29/94/89/1001299489.db2.gz RXWDKKICURPOTK-JTQLQIEISA-N -1 0 320.353 -0.564 20 0 DBADRM O=C(NC[C@@H]1CCCS1(=O)=O)c1c[n-]n2c1nccc2=O ZINC001412132458 1001309432 /nfs/dbraw/zinc/30/94/32/1001309432.db2.gz OAWZCLJRTWZXSJ-QMMMGPOBSA-N -1 0 310.335 -0.670 20 0 DBADRM Cn1ccnc1[C@@H]1C[C@H](NC(=O)CCc2nnn[n-]2)CCO1 ZINC001412226758 1001339530 /nfs/dbraw/zinc/33/95/30/1001339530.db2.gz LTNNPSVYMDYPKY-ZJUUUORDSA-N -1 0 305.342 -0.098 20 0 DBADRM Cn1ccnc1[C@@H]1C[C@@H](NC(=O)CCc2nnn[n-]2)CCO1 ZINC001412226743 1001340474 /nfs/dbraw/zinc/34/04/74/1001340474.db2.gz LTNNPSVYMDYPKY-UWVGGRQHSA-N -1 0 305.342 -0.098 20 0 DBADRM CN(C(=O)CCCS(=O)(=O)N1CCCC1)c1nnn[n-]1 ZINC001412230101 1001341063 /nfs/dbraw/zinc/34/10/63/1001341063.db2.gz ZOIPWKYQSHHWBA-UHFFFAOYSA-N -1 0 302.360 -0.632 20 0 DBADRM CO[C@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)CC(C)C ZINC001591331540 1016482575 /nfs/dbraw/zinc/48/25/75/1016482575.db2.gz QBSBBRORVQVTFB-VIFPVBQESA-N -1 0 308.346 -0.365 20 0 DBADRM COC1(C)CN(c2nnc(-c3c[nH]nc3-c3nnn[n-]3)n2C)C1 ZINC001591340561 1016482610 /nfs/dbraw/zinc/48/26/10/1016482610.db2.gz XZXFTZNAUFGPHQ-UHFFFAOYSA-N -1 0 316.329 -0.390 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC2(C1)CNC(=O)O2 ZINC001412262874 1001351776 /nfs/dbraw/zinc/35/17/76/1001351776.db2.gz HTBACXRHZKEEIP-UHFFFAOYSA-N -1 0 317.261 -0.630 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001412266911 1001352861 /nfs/dbraw/zinc/35/28/61/1001352861.db2.gz JHKWBJWGNRPRSU-MRVPVSSYSA-N -1 0 320.371 -0.542 20 0 DBADRM CCC(=O)N[C@@H](CCSC)C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001412294401 1001359865 /nfs/dbraw/zinc/35/98/65/1001359865.db2.gz XIRZRCJXGWWOKI-QMMMGPOBSA-N -1 0 316.383 -0.031 20 0 DBADRM CSCC[C@H](NC(=O)CCS(C)(=O)=O)c1nnn[n-]1 ZINC001412369893 1001378305 /nfs/dbraw/zinc/37/83/05/1001378305.db2.gz PVZCHUTYPPJFPI-ZETCQYMHSA-N -1 0 307.401 -0.455 20 0 DBADRM CN(C(=O)COC1CN(C(=O)OC(C)(C)C)C1)c1nnn[n-]1 ZINC001412375078 1001379898 /nfs/dbraw/zinc/37/98/98/1001379898.db2.gz LGGNBPAHVDMFJB-UHFFFAOYSA-N -1 0 312.330 -0.202 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)N(C)c2nnn[n-]2)cc1C ZINC001412374645 1001380310 /nfs/dbraw/zinc/38/03/10/1001380310.db2.gz IAOBMLFQROJXIK-UHFFFAOYSA-N -1 0 324.366 -0.242 20 0 DBADRM CO[C@@H]1CCC[C@H]1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591363759 1016490912 /nfs/dbraw/zinc/49/09/12/1016490912.db2.gz YGSNRBLXHDYFFP-RKDXNWHRSA-N -1 0 306.330 -0.611 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423581382 1001384770 /nfs/dbraw/zinc/38/47/70/1001384770.db2.gz HNTPZURRDMASLP-AWEZNQCLSA-N -1 0 319.369 -0.135 20 0 DBADRM COCC(=O)N[C@H](C)CN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001591366803 1016491343 /nfs/dbraw/zinc/49/13/43/1016491343.db2.gz PERBRFFAXMBEMB-MRVPVSSYSA-N -1 0 306.330 -0.756 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC001412407127 1001389750 /nfs/dbraw/zinc/38/97/50/1001389750.db2.gz LSCGFEFZUKXKLE-LLVKDONJSA-N -1 0 322.369 -0.582 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)NC[C@H](O)[C@H](C)O)cc2=O)cc1 ZINC001412415534 1001394417 /nfs/dbraw/zinc/39/44/17/1001394417.db2.gz OOPPLANOBHBELC-GWCFXTLKSA-N -1 0 305.334 -0.054 20 0 DBADRM CN(Cc1ccccc1)C(=O)CNC(=O)CCc1nnn[n-]1 ZINC001412427264 1001398061 /nfs/dbraw/zinc/39/80/61/1001398061.db2.gz CANMVGJQGGHMLO-UHFFFAOYSA-N -1 0 302.338 -0.093 20 0 DBADRM C[C@H](CN(C)C(=O)c1ccc[nH]1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412433027 1001401476 /nfs/dbraw/zinc/40/14/76/1001401476.db2.gz KACLDHDRLRHMES-MRVPVSSYSA-N -1 0 322.325 -0.706 20 0 DBADRM Cn1cc(C(F)F)c(CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001412467485 1001415664 /nfs/dbraw/zinc/41/56/64/1001415664.db2.gz HZEGPUSUAKJHQG-UHFFFAOYSA-N -1 0 302.241 -0.323 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CC2(CO1)CCOCC2 ZINC001412467810 1001415677 /nfs/dbraw/zinc/41/56/77/1001415677.db2.gz INBFERKNTSOQCN-VIFPVBQESA-N -1 0 312.326 -0.609 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001591361314 1016487771 /nfs/dbraw/zinc/48/77/71/1016487771.db2.gz LELGDILWQOJAKP-VXNVDRBHSA-N -1 0 307.314 -0.030 20 0 DBADRM O=C(CNC(=O)OCC(F)(F)F)N1CC[C@H](c2nnn[n-]2)C1 ZINC001412487797 1001422973 /nfs/dbraw/zinc/42/29/73/1001422973.db2.gz IWTGMUKCOOUBLC-LURJTMIESA-N -1 0 322.247 -0.196 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(Cc2ccno2)CC1 ZINC001412493611 1001425454 /nfs/dbraw/zinc/42/54/54/1001425454.db2.gz WFZJJANFASEFTC-UHFFFAOYSA-N -1 0 308.298 -0.978 20 0 DBADRM CC(C)[C@H]1C(=O)NCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412497395 1001426538 /nfs/dbraw/zinc/42/65/38/1001426538.db2.gz CSEHQLLUIDCGNZ-JTQLQIEISA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)NCc3nnn[n-]3)c2C1 ZINC001412500266 1001427542 /nfs/dbraw/zinc/42/75/42/1001427542.db2.gz HQBRLXLLXGSCDD-VIFPVBQESA-N -1 0 318.341 -0.975 20 0 DBADRM COCC(C)(C)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591370769 1016493635 /nfs/dbraw/zinc/49/36/35/1016493635.db2.gz SVLGCSGIKRIFKF-UHFFFAOYSA-N -1 0 312.355 -0.035 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)c2s[n-]c(=O)c2Cl)C1 ZINC001412515986 1001434407 /nfs/dbraw/zinc/43/44/07/1001434407.db2.gz SXVGJXCZRSFMHG-UHFFFAOYSA-N -1 0 315.742 -0.026 20 0 DBADRM O=C(NC[C@@H]1CCC2(CCOCC2)CO1)c1n[nH]c(=O)[n-]c1=O ZINC001412515999 1001434894 /nfs/dbraw/zinc/43/48/94/1001434894.db2.gz KGJVUZKQWOXCPV-VIFPVBQESA-N -1 0 324.337 -0.012 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCc1nncn1C1CC1 ZINC001412534267 1001440439 /nfs/dbraw/zinc/44/04/39/1001440439.db2.gz PNJGJGXLSZCXKR-UHFFFAOYSA-N -1 0 307.314 -0.288 20 0 DBADRM CCN(CC)C(=O)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412563232 1001452182 /nfs/dbraw/zinc/45/21/82/1001452182.db2.gz WGTYHBMGLAAFIG-UHFFFAOYSA-N -1 0 317.353 -0.327 20 0 DBADRM CSC[C@@H](C)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423831509 1001453258 /nfs/dbraw/zinc/45/32/58/1001453258.db2.gz WKPDUOVSRAHDPN-MRVPVSSYSA-N -1 0 315.399 -0.828 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](COC)C(=O)OC ZINC001423841461 1001468991 /nfs/dbraw/zinc/46/89/91/1001468991.db2.gz FFTIQRKNJMIAIE-QMMMGPOBSA-N -1 0 316.401 -0.483 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1nnn[n-]1 ZINC001412589206 1001469199 /nfs/dbraw/zinc/46/91/99/1001469199.db2.gz GVYFMDGFKIJKSD-GHMZBOCLSA-N -1 0 322.369 -0.348 20 0 DBADRM CC(C)CNC(=O)NC(=O)[C@H](C)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001591374185 1016496717 /nfs/dbraw/zinc/49/67/17/1016496717.db2.gz QQTMZRSKUTUBQD-IUCAKERBSA-N -1 0 322.383 -0.008 20 0 DBADRM COC[C@](C)(O)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591371221 1016497150 /nfs/dbraw/zinc/49/71/50/1016497150.db2.gz MZDNGNKBNHSJJY-CYBMUJFWSA-N -1 0 307.310 -0.301 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cccc(Cl)c1[O-])C(N)=O ZINC001423848156 1001474603 /nfs/dbraw/zinc/47/46/03/1001474603.db2.gz BAPWQUKOBMSMEU-SSDOTTSWSA-N -1 0 308.743 -0.176 20 0 DBADRM COC[C@@H](NC(=O)CCNC(=O)c1cccs1)c1nnn[n-]1 ZINC001412591454 1001474752 /nfs/dbraw/zinc/47/47/52/1001474752.db2.gz JORSGICNIBHCPA-MRVPVSSYSA-N -1 0 324.366 -0.115 20 0 DBADRM COC[C@H](C)CNS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591373785 1016497259 /nfs/dbraw/zinc/49/72/59/1016497259.db2.gz ONSXWAOLFOJOGH-MRVPVSSYSA-N -1 0 312.355 -0.178 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001591376126 1016497300 /nfs/dbraw/zinc/49/73/00/1016497300.db2.gz RBRZAVPOCYSAIN-ZCFIWIBFSA-N -1 0 315.311 -0.446 20 0 DBADRM COC[C@@](C)(O)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591371222 1016497856 /nfs/dbraw/zinc/49/78/56/1016497856.db2.gz MZDNGNKBNHSJJY-ZDUSSCGKSA-N -1 0 307.310 -0.301 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)c1nnn[n-]1 ZINC001412607406 1001491423 /nfs/dbraw/zinc/49/14/23/1001491423.db2.gz MPQHANBUPBNPDR-RNFRBKRXSA-N -1 0 310.280 -0.114 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)o1 ZINC001412612531 1001498572 /nfs/dbraw/zinc/49/85/72/1001498572.db2.gz PDQFOETUFRRBCD-QMMMGPOBSA-N -1 0 304.310 -0.014 20 0 DBADRM C[C@]1(C2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)COC(=O)N1 ZINC001412619007 1001499901 /nfs/dbraw/zinc/49/99/01/1001499901.db2.gz NQKWLPFIERMTFK-CYBMUJFWSA-N -1 0 323.309 -0.367 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H](CO)[C@@H]1CCOC1 ZINC001423894661 1001519575 /nfs/dbraw/zinc/51/95/75/1001519575.db2.gz MDERWCHXGKTNAD-SCZZXKLOSA-N -1 0 319.335 -0.258 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H](CO)[C@H]1CCOC1 ZINC001423894662 1001519836 /nfs/dbraw/zinc/51/98/36/1001519836.db2.gz MDERWCHXGKTNAD-WCBMZHEXSA-N -1 0 319.335 -0.258 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCc1noc2c1COCC2 ZINC001412670565 1001527715 /nfs/dbraw/zinc/52/77/15/1001527715.db2.gz NCLWVZXHSFWWJB-UHFFFAOYSA-N -1 0 323.309 -0.153 20 0 DBADRM COc1ncc(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2cn[nH]n2)cn1 ZINC001423939728 1001530520 /nfs/dbraw/zinc/53/05/20/1001530520.db2.gz IKXDLAHMENPQIO-HTQZYQBOSA-N -1 0 319.325 -0.460 20 0 DBADRM COc1ncc(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2cn[nH]n2)cn1 ZINC001423939747 1001530773 /nfs/dbraw/zinc/53/07/73/1001530773.db2.gz IKXDLAHMENPQIO-YUMQZZPRSA-N -1 0 319.325 -0.460 20 0 DBADRM C[C@]1(NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CCNC1=O ZINC001412711086 1001537077 /nfs/dbraw/zinc/53/70/77/1001537077.db2.gz ULTLGUUBJTZUMJ-AWEZNQCLSA-N -1 0 317.305 -0.725 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2cc(-c3nn[nH]n3)cnn2)C1 ZINC001591386110 1016503077 /nfs/dbraw/zinc/50/30/77/1016503077.db2.gz GIRYLVVKXZRTGY-GFCCVEGCSA-N -1 0 305.298 -0.416 20 0 DBADRM CN(C(=O)c1nc[n-]c(=O)c1Br)[C@@H]1CCNC1=O ZINC001412710287 1001537712 /nfs/dbraw/zinc/53/77/12/1001537712.db2.gz MBCHKGSKKIEUTO-RXMQYKEDSA-N -1 0 315.127 -0.095 20 0 DBADRM CC(=O)NC[C@@H](CO)NC(=O)c1n[n-]c2ccccc2c1=O ZINC001412719246 1001539552 /nfs/dbraw/zinc/53/95/52/1001539552.db2.gz BGQUIVLAWVXXTF-VIFPVBQESA-N -1 0 304.306 -0.438 20 0 DBADRM CC(C)COC(=O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001591380032 1016503466 /nfs/dbraw/zinc/50/34/66/1016503466.db2.gz PILLMAAJMIBMGE-JTQLQIEISA-N -1 0 307.368 -0.241 20 0 DBADRM C[C@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001423994969 1001541601 /nfs/dbraw/zinc/54/16/01/1001541601.db2.gz DGVAHMGQQBOZKV-NXEZZACHSA-N -1 0 312.413 -0.378 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001412735003 1001548359 /nfs/dbraw/zinc/54/83/59/1001548359.db2.gz JTZMROFNDGLBJH-DTORHVGOSA-N -1 0 322.346 -0.861 20 0 DBADRM COC(=O)C1([N-]S(=O)(=O)Cc2ccon2)CCOCC1 ZINC001424061402 1001560888 /nfs/dbraw/zinc/56/08/88/1001560888.db2.gz CKUZFLIPVCEXNI-UHFFFAOYSA-N -1 0 304.324 -0.184 20 0 DBADRM O=C(N[C@@H]1CNC(=O)C1)c1nc[n-]c(=O)c1Br ZINC001412769370 1001568796 /nfs/dbraw/zinc/56/87/96/1001568796.db2.gz GXMBSPYJGBIDTF-BYPYZUCNSA-N -1 0 301.100 -0.437 20 0 DBADRM C[C@H](NC(=O)c1cnn(C[C@H](O)CO)c1)c1nn(C)cc1[O-] ZINC001412771659 1001570203 /nfs/dbraw/zinc/57/02/03/1001570203.db2.gz UPLYHYBGERWGFX-WPRPVWTQSA-N -1 0 309.326 -0.834 20 0 DBADRM CCC[C@H]1C(=O)NCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412774541 1001570894 /nfs/dbraw/zinc/57/08/94/1001570894.db2.gz NDQAUEJGGJYJSF-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)CCc1nnn[n-]1 ZINC001412775004 1001572751 /nfs/dbraw/zinc/57/27/51/1001572751.db2.gz QOMPKXMXTQDHLG-MRVPVSSYSA-N -1 0 319.325 -0.233 20 0 DBADRM COC[C@@H]1CN(Cn2cccc(-c3nnn[n-]3)c2=O)C[C@H](C)O1 ZINC001591396162 1016507158 /nfs/dbraw/zinc/50/71/58/1016507158.db2.gz RPWLUMJSMLOXRB-QWRGUYRKSA-N -1 0 320.353 -0.278 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)c2cnnn2C)c1[O-] ZINC001424131568 1001579987 /nfs/dbraw/zinc/57/99/87/1001579987.db2.gz SAWVRWCWBHCQNB-SSDOTTSWSA-N -1 0 321.341 -0.557 20 0 DBADRM C[C@H](CN(C)C(=O)C[C@H]1CCCS(=O)(=O)C1)c1nnn[n-]1 ZINC001412790507 1001584476 /nfs/dbraw/zinc/58/44/76/1001584476.db2.gz BTGAFLAYDQYJID-NXEZZACHSA-N -1 0 315.399 -0.024 20 0 DBADRM COC(=O)[C@@H](CNC(=O)CCCc1nnn[n-]1)[C@H]1CCOC1 ZINC001412801314 1001590609 /nfs/dbraw/zinc/59/06/09/1001590609.db2.gz AZKKHGXBWYFZRP-UWVGGRQHSA-N -1 0 311.342 -0.536 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC001412827578 1001607837 /nfs/dbraw/zinc/60/78/37/1001607837.db2.gz BOURMUCGFIPMHR-SNVBAGLBSA-N -1 0 324.259 -0.005 20 0 DBADRM CS(=O)(=O)c1ccc(CNC(=O)CCc2nnn[n-]2)s1 ZINC001412834420 1001611763 /nfs/dbraw/zinc/61/17/63/1001611763.db2.gz QRUIIAZZNWBVTH-UHFFFAOYSA-N -1 0 315.380 -0.086 20 0 DBADRM CC(C)(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1c[nH]cn1 ZINC001412834532 1001612264 /nfs/dbraw/zinc/61/22/64/1001612264.db2.gz XVBNWGMBAUUFRD-UHFFFAOYSA-N -1 0 302.356 -0.731 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001412838260 1001614240 /nfs/dbraw/zinc/61/42/40/1001614240.db2.gz LZFLDVAVRGUZPF-UHFFFAOYSA-N -1 0 323.334 -0.116 20 0 DBADRM C[C@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)c1nncn1C ZINC001412841144 1001615669 /nfs/dbraw/zinc/61/56/69/1001615669.db2.gz ICQCZDBNHQSVHW-MRVPVSSYSA-N -1 0 309.330 -0.482 20 0 DBADRM CN1C(=O)CN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1c1ccccc1 ZINC001412845040 1001617575 /nfs/dbraw/zinc/61/75/75/1001617575.db2.gz AVSIAOUNEQOMKX-LBPRGKRZSA-N -1 0 317.305 -0.311 20 0 DBADRM O=C(NC[C@H]1CNC(=O)C1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001412865826 1001627478 /nfs/dbraw/zinc/62/74/78/1001627478.db2.gz XKHALMMLACCLSZ-MRVPVSSYSA-N -1 0 302.290 -0.104 20 0 DBADRM Cn1nc(C2CC2)cc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412906208 1001643118 /nfs/dbraw/zinc/64/31/18/1001643118.db2.gz YOIVQHBTXBKGBP-UHFFFAOYSA-N -1 0 317.353 -0.066 20 0 DBADRM C[C@@H](O)c1ncc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)s1 ZINC001412906250 1001643323 /nfs/dbraw/zinc/64/33/23/1001643323.db2.gz YYLXEDYEFBSHPR-SSDOTTSWSA-N -1 0 324.366 -0.167 20 0 DBADRM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1cn[nH]n1)c1ccccc1 ZINC001412931632 1001653822 /nfs/dbraw/zinc/65/38/22/1001653822.db2.gz ZKSICFQJHKNINW-CMPLNLGQSA-N -1 0 317.349 -0.185 20 0 DBADRM NC(=O)N1CC[C@@H](CNC(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001412938063 1001656744 /nfs/dbraw/zinc/65/67/44/1001656744.db2.gz VLPWIBSWPYEJAC-LURJTMIESA-N -1 0 300.344 -0.881 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1 ZINC001424581462 1001665071 /nfs/dbraw/zinc/66/50/71/1001665071.db2.gz DESPLRDDXWKMKZ-UHFFFAOYSA-N -1 0 308.323 -0.104 20 0 DBADRM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2nnn(C)n2)s1 ZINC001424581364 1001665189 /nfs/dbraw/zinc/66/51/89/1001665189.db2.gz BQJVQKPWXVHVLA-UHFFFAOYSA-N -1 0 316.368 -0.292 20 0 DBADRM CCC(C)(C)C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001495008327 1016516400 /nfs/dbraw/zinc/51/64/00/1016516400.db2.gz ISZYSLFVWYRUCK-MRVPVSSYSA-N -1 0 313.358 -0.254 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC001591416865 1016516443 /nfs/dbraw/zinc/51/64/43/1016516443.db2.gz FQLIPJRQPSYTMU-UHFFFAOYSA-N -1 0 320.309 -0.111 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](C(=O)OC)[C@@H](C)O ZINC001424605374 1001667346 /nfs/dbraw/zinc/66/73/46/1001667346.db2.gz KVZDGDKGHXTFAD-SFYZADRCSA-N -1 0 316.401 -0.749 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)Cc1nocc1C ZINC001424620304 1001668529 /nfs/dbraw/zinc/66/85/29/1001668529.db2.gz OZBATIAKUCKUDU-VIFPVBQESA-N -1 0 306.340 -0.019 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(C2N=NC(=O)O2)CC1 ZINC001412992498 1001677760 /nfs/dbraw/zinc/67/77/60/1001677760.db2.gz RHWUHKBBHISJPW-QMMMGPOBSA-N -1 0 312.326 -0.368 20 0 DBADRM COCCN(CCF)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591424319 1016517759 /nfs/dbraw/zinc/51/77/59/1016517759.db2.gz XXRYGIHNWYZZHH-MRVPVSSYSA-N -1 0 312.309 -0.536 20 0 DBADRM CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)CCc1nnn[n-]1 ZINC001413060185 1001693139 /nfs/dbraw/zinc/69/31/39/1001693139.db2.gz ODZLHEQYEVRWOT-QMMMGPOBSA-N -1 0 314.371 -0.623 20 0 DBADRM CCOC(=O)CCN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001413123225 1001702255 /nfs/dbraw/zinc/70/22/55/1001702255.db2.gz UOLBXNLJJHMAKS-UHFFFAOYSA-N -1 0 300.315 -0.119 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CNC(=O)Cc1ccccc1 ZINC001413185980 1001709436 /nfs/dbraw/zinc/70/94/36/1001709436.db2.gz SFYJUYZAVZPDIB-UHFFFAOYSA-N -1 0 304.306 -0.320 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CNC(=O)NCc1ccco1 ZINC001413184420 1001709500 /nfs/dbraw/zinc/70/95/00/1001709500.db2.gz PXBKLOUTBRJNJN-UHFFFAOYSA-N -1 0 309.282 -0.586 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N1CCN(CC(=O)[O-])CC1 ZINC001591417729 1016514238 /nfs/dbraw/zinc/51/42/38/1016514238.db2.gz NQTSWTHFOABZQE-UHFFFAOYSA-N -1 0 320.411 -0.324 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C2CC2)C1 ZINC001424655752 1001716931 /nfs/dbraw/zinc/71/69/31/1001716931.db2.gz YTJLMIGXYJJRGY-ZETCQYMHSA-N -1 0 309.326 -0.938 20 0 DBADRM COC1(CO)CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001413222285 1001738644 /nfs/dbraw/zinc/73/86/44/1001738644.db2.gz CLIFGGBHCDVVSB-UHFFFAOYSA-N -1 0 306.322 -0.364 20 0 DBADRM COCCCOCCC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591417323 1016518745 /nfs/dbraw/zinc/51/87/45/1016518745.db2.gz UXIFBUBWQYLRAG-UHFFFAOYSA-N -1 0 324.345 -0.982 20 0 DBADRM CC(C)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001424716714 1001756057 /nfs/dbraw/zinc/75/60/57/1001756057.db2.gz LIBRIMACYIRVHU-PSVAKVPMSA-N -1 0 321.337 -0.627 20 0 DBADRM COCCOC(=O)N(C)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001591431954 1016520040 /nfs/dbraw/zinc/52/00/40/1016520040.db2.gz XSKRXIYCPBYJDG-UHFFFAOYSA-N -1 0 308.298 -0.299 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2CCC(O)(CO)CC2)co1 ZINC001413245714 1001772290 /nfs/dbraw/zinc/77/22/90/1001772290.db2.gz RYTKWDSUPJMYCW-UHFFFAOYSA-N -1 0 318.351 -0.853 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NCc2ncnn2C)c1[O-] ZINC001424773361 1001793041 /nfs/dbraw/zinc/79/30/41/1001793041.db2.gz OTYMRDAZADQMQW-JGVFFNPUSA-N -1 0 307.358 -0.151 20 0 DBADRM C[C@@H]1CCCC[C@@]12CC(=O)NN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001413275250 1001800359 /nfs/dbraw/zinc/80/03/59/1001800359.db2.gz FKNNYBMBKPMXCE-AMIZOPFISA-N -1 0 309.326 -0.098 20 0 DBADRM C[C@@H](NS(=O)(=O)c1nncn1C)C(=O)NCc1ccccc1 ZINC001413278096 1001800800 /nfs/dbraw/zinc/80/08/00/1001800800.db2.gz DAFYOMRKLJXTDA-SNVBAGLBSA-N -1 0 323.378 -0.202 20 0 DBADRM Cn1cnnc1S(=O)(=O)NCC(=O)NC1CCCCC1 ZINC001413278727 1001801050 /nfs/dbraw/zinc/80/10/50/1001801050.db2.gz MIVASTZWHVFZFN-UHFFFAOYSA-N -1 0 301.372 -0.458 20 0 DBADRM O=S(=O)(CCNS(=O)(=O)c1ncc[n-]1)NCC1CCC1 ZINC001413289208 1001804839 /nfs/dbraw/zinc/80/48/39/1001804839.db2.gz NTTBFDNOSKAHIV-UHFFFAOYSA-N -1 0 322.412 -0.593 20 0 DBADRM COCCOCc1noc([C@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001591439908 1016526948 /nfs/dbraw/zinc/52/69/48/1016526948.db2.gz SRGWNGYWVNSJSI-ZETCQYMHSA-N -1 0 321.301 -0.387 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-]CC1(O)CCOCC1 ZINC001413315674 1001812218 /nfs/dbraw/zinc/81/22/18/1001812218.db2.gz FTHGXWNTQCCEAL-UHFFFAOYSA-N -1 0 312.413 -0.376 20 0 DBADRM COCCOCCN(CCO)c1ccnc(-c2nnn[n-]2)n1 ZINC001591439567 1016527388 /nfs/dbraw/zinc/52/73/88/1016527388.db2.gz YCSWPHDCHOKVAR-UHFFFAOYSA-N -1 0 309.330 -0.882 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@H]1CC2(CCC2)CO1 ZINC001413323223 1001814150 /nfs/dbraw/zinc/81/41/50/1001814150.db2.gz RETPLGIVZMQRFC-NXEZZACHSA-N -1 0 307.368 -0.601 20 0 DBADRM CN(C(=O)CCNS(=O)(=O)c1cccs1)c1nnn[n-]1 ZINC001413330356 1001816851 /nfs/dbraw/zinc/81/68/51/1001816851.db2.gz YYOYDMNMXRLDBC-UHFFFAOYSA-N -1 0 316.368 -0.407 20 0 DBADRM Cc1ncc(CC(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)o1 ZINC001424958375 1001818014 /nfs/dbraw/zinc/81/80/14/1001818014.db2.gz QKTIRHCZWSBYJO-QMMMGPOBSA-N -1 0 308.342 -0.014 20 0 DBADRM CN1C[C@H](O)C[C@]1(C)C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC001413336553 1001818313 /nfs/dbraw/zinc/81/83/13/1001818313.db2.gz YKVCPZNFXFKVQB-LALPHHSUSA-N -1 0 316.365 -0.140 20 0 DBADRM COCCc1nc(COc2cnc(-c3nnn[n-]3)nc2)no1 ZINC001591447788 1016527882 /nfs/dbraw/zinc/52/78/82/1016527882.db2.gz FOHRCGYEWPBNJY-UHFFFAOYSA-N -1 0 304.270 -0.192 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@H](n2ccnn2)CC1 ZINC001413344124 1001821361 /nfs/dbraw/zinc/82/13/61/1001821361.db2.gz PUSOQMHBLHXPCI-QMMMGPOBSA-N -1 0 305.298 -0.258 20 0 DBADRM CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1cc(C(=O)OC)[nH]n1 ZINC001413352899 1001823019 /nfs/dbraw/zinc/82/30/19/1001823019.db2.gz JJKQHMJGGOVBGR-WCBMZHEXSA-N -1 0 317.367 -0.022 20 0 DBADRM O=c1nc(CNS(=O)(=O)C[C@@H]2CCC3(CCC3)O2)[n-]o1 ZINC001413365503 1001827692 /nfs/dbraw/zinc/82/76/92/1001827692.db2.gz JWOVKRRAYJVFHE-QMMMGPOBSA-N -1 0 303.340 -0.116 20 0 DBADRM COC(=O)c1ccnc(S(=O)(=O)N[C@H](CO)CCF)c1 ZINC001413386556 1001834190 /nfs/dbraw/zinc/83/41/90/1001834190.db2.gz QXOHTPVQYUIZHL-VIFPVBQESA-N -1 0 306.315 -0.133 20 0 DBADRM C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001413385655 1001834334 /nfs/dbraw/zinc/83/43/34/1001834334.db2.gz IOBXKGAVPRVLKM-KOLCDFICSA-N -1 0 304.310 -0.038 20 0 DBADRM C[C@@H](CNC(=O)CCc1cncn1C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001425049858 1001834955 /nfs/dbraw/zinc/83/49/55/1001834955.db2.gz JCRVYYQQMIOVNP-JTQLQIEISA-N -1 0 321.385 -0.187 20 0 DBADRM C[C@H](CNC(=O)CCc1cncn1C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001425049860 1001834963 /nfs/dbraw/zinc/83/49/63/1001834963.db2.gz JCRVYYQQMIOVNP-SNVBAGLBSA-N -1 0 321.385 -0.187 20 0 DBADRM CC(F)(F)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001425066938 1001839978 /nfs/dbraw/zinc/83/99/78/1001839978.db2.gz HVXBNGPMJFQUPD-UHFFFAOYSA-N -1 0 305.285 -0.782 20 0 DBADRM C[C@H](CN(C)C(=O)C1(C)CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001425087040 1001842647 /nfs/dbraw/zinc/84/26/47/1001842647.db2.gz DXVGNUIWDLHYCK-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)N=S(C)(C)=O ZINC001413437844 1001849490 /nfs/dbraw/zinc/84/94/90/1001849490.db2.gz OFPJZWFXPZKITP-ZETCQYMHSA-N -1 0 302.374 -0.874 20 0 DBADRM CO[C@H](C)CN1CC(CCO)(NC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001425124031 1001852970 /nfs/dbraw/zinc/85/29/70/1001852970.db2.gz XLBKRVTZXIQHRP-SNVBAGLBSA-N -1 0 324.381 -0.308 20 0 DBADRM CO[C@@H](C)CN1CC(CCO)(NC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001425124026 1001853049 /nfs/dbraw/zinc/85/30/49/1001853049.db2.gz XLBKRVTZXIQHRP-JTQLQIEISA-N -1 0 324.381 -0.308 20 0 DBADRM COC(=O)C1(O)CN(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC001413460004 1001853689 /nfs/dbraw/zinc/85/36/89/1001853689.db2.gz KVCQCOFFBYOHCA-UHFFFAOYSA-N -1 0 303.274 -0.305 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(Cc2ccno2)CC1 ZINC001413467599 1001856524 /nfs/dbraw/zinc/85/65/24/1001856524.db2.gz IKBXCYFUGJLQPV-UHFFFAOYSA-N -1 0 306.282 -0.771 20 0 DBADRM Cc1nnc(COCC(=O)N2CC[C@@H](c3nnn[n-]3)C2)s1 ZINC001413472250 1001857743 /nfs/dbraw/zinc/85/77/43/1001857743.db2.gz SIVKCTVJGORIMF-MRVPVSSYSA-N -1 0 309.355 -0.108 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCc1cn(C2CC2)c(=O)[nH]c1=O ZINC001413472690 1001857839 /nfs/dbraw/zinc/85/78/39/1001857839.db2.gz AEPCVDSYBWDJKI-UHFFFAOYSA-N -1 0 319.325 -0.564 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1=CCCC1 ZINC001425167638 1001860483 /nfs/dbraw/zinc/86/04/83/1001860483.db2.gz OZGWQOITSXNHPV-MRVPVSSYSA-N -1 0 321.337 -0.030 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1=CCCC1 ZINC001425171195 1001860529 /nfs/dbraw/zinc/86/05/29/1001860529.db2.gz POFUEAIBHBWSIV-VIFPVBQESA-N -1 0 323.353 -0.237 20 0 DBADRM O=C(CCN1CCOC1=O)N1CCC(Cc2nn[nH]n2)CC1 ZINC001413507802 1001865384 /nfs/dbraw/zinc/86/53/84/1001865384.db2.gz RKEUHPXZLKXELW-UHFFFAOYSA-N -1 0 308.342 -0.177 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21)C(=O)[O-] ZINC001591457791 1016532051 /nfs/dbraw/zinc/53/20/51/1016532051.db2.gz UKMPQCKEGNVDOA-OTMMVIPVSA-N -1 0 310.350 -0.057 20 0 DBADRM COC[C@H](CO)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001591453217 1016532188 /nfs/dbraw/zinc/53/21/88/1016532188.db2.gz ASTFIHSTXYIWHC-ZETCQYMHSA-N -1 0 308.298 -0.987 20 0 DBADRM C[C@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001425226401 1001869982 /nfs/dbraw/zinc/86/99/82/1001869982.db2.gz IMFJUSDOLAMLNX-BJOHPYRUSA-N -1 0 323.397 -0.002 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N2CC(CO)(CO)C2)c1 ZINC001413534510 1001873059 /nfs/dbraw/zinc/87/30/59/1001873059.db2.gz HEQKXJICHIGNKP-OAQYLSRUSA-N -1 0 313.375 -0.384 20 0 DBADRM CCC(=O)N(C)C1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001413542660 1001875100 /nfs/dbraw/zinc/87/51/00/1001875100.db2.gz KERLWFJQLWPWEE-UHFFFAOYSA-N -1 0 323.353 -0.269 20 0 DBADRM Cn1nccc1COCC(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001413554176 1001877549 /nfs/dbraw/zinc/87/75/49/1001877549.db2.gz APXMJESZEHQBFJ-NSHDSACASA-N -1 0 319.369 -0.069 20 0 DBADRM COC[C@@H](NC(=O)C1CCN(C(=O)C(C)C)CC1)c1nnn[n-]1 ZINC001413554675 1001878367 /nfs/dbraw/zinc/87/83/67/1001878367.db2.gz OOFHHHHLMCHNEL-LLVKDONJSA-N -1 0 324.385 -0.102 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)n(C)c1=O ZINC001413556985 1001879622 /nfs/dbraw/zinc/87/96/22/1001879622.db2.gz GIOXTIJTWDPPLF-VIFPVBQESA-N -1 0 305.342 -0.668 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)c1nnn[n-]1 ZINC001413559447 1001879829 /nfs/dbraw/zinc/87/98/29/1001879829.db2.gz YFSGADVQFKGQIC-VXNVDRBHSA-N -1 0 308.298 -0.585 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H](O)COc1ccccc1 ZINC001413563580 1001880261 /nfs/dbraw/zinc/88/02/61/1001880261.db2.gz AHUZXCGLPFYQLX-JTQLQIEISA-N -1 0 306.326 -0.324 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC001413565526 1001880383 /nfs/dbraw/zinc/88/03/83/1001880383.db2.gz IMRBSTZHKWLGBP-GHMZBOCLSA-N -1 0 324.385 -0.053 20 0 DBADRM CON(C)c1nnc(-c2c[nH]c(=O)c(-c3nnn[n-]3)c2)n1C ZINC001591464198 1016533696 /nfs/dbraw/zinc/53/36/96/1016533696.db2.gz DZIOKKBDWZFOOR-UHFFFAOYSA-N -1 0 303.286 -0.240 20 0 DBADRM CCOC(=O)N[C@H]1CCCN(C(=O)N=c2nn[n-]n2CC)C1 ZINC001413568749 1001881776 /nfs/dbraw/zinc/88/17/76/1001881776.db2.gz RFMNWFTWOGROOQ-VIFPVBQESA-N -1 0 311.346 -0.143 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC001413568243 1001882031 /nfs/dbraw/zinc/88/20/31/1001882031.db2.gz NNROFXGIBNFEOU-WDEREUQCSA-N -1 0 324.385 -0.196 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](C(=O)N1CCCC1)C(C)C ZINC001413569808 1001882162 /nfs/dbraw/zinc/88/21/62/1001882162.db2.gz WMKOVTCWWWKNEB-JTQLQIEISA-N -1 0 309.374 -0.117 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1COC[C@H]1C1CC1 ZINC001433567134 1001886010 /nfs/dbraw/zinc/88/60/10/1001886010.db2.gz HHQKPJPYNHTDQW-WDEREUQCSA-N -1 0 303.322 -0.388 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1COC[C@@H]1C1CC1 ZINC001433567131 1001886853 /nfs/dbraw/zinc/88/68/53/1001886853.db2.gz HHQKPJPYNHTDQW-GHMZBOCLSA-N -1 0 303.322 -0.388 20 0 DBADRM C[C@@H]1COC[C@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001413618841 1001891506 /nfs/dbraw/zinc/89/15/06/1001891506.db2.gz CCUYUQOTMWTBJJ-GMSGAONNSA-N -1 0 300.336 -0.196 20 0 DBADRM C[C@@H](CNC(=O)c1ccccc1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001433590508 1001892689 /nfs/dbraw/zinc/89/26/89/1001892689.db2.gz UUUSZSRTISLYLW-VIFPVBQESA-N -1 0 319.321 -0.376 20 0 DBADRM CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CCc1nnn[n-]1 ZINC001433593444 1001893586 /nfs/dbraw/zinc/89/35/86/1001893586.db2.gz AGLRGLNPDCVQAJ-DTWKUNHWSA-N -1 0 312.399 -0.052 20 0 DBADRM COC(=O)[C@@H](CO)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC001433601102 1001895037 /nfs/dbraw/zinc/89/50/37/1001895037.db2.gz CBDDKMNIZCJBFD-GFCCVEGCSA-N -1 0 319.317 -0.262 20 0 DBADRM C[C@H](C[C@@H](C)NC(=O)C1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001413654279 1001899243 /nfs/dbraw/zinc/89/92/43/1001899243.db2.gz XBHIGYLYCVOFNG-RKDXNWHRSA-N -1 0 322.365 -0.091 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC1CCS(=O)(=O)CC1 ZINC001433616404 1001900346 /nfs/dbraw/zinc/90/03/46/1001900346.db2.gz VLJWJRJIEYFWNO-UHFFFAOYSA-N -1 0 306.369 -0.704 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1cc(=O)cc[nH]1)C(=O)[O-] ZINC001591463255 1016537712 /nfs/dbraw/zinc/53/77/12/1016537712.db2.gz GXJNUTHEWIUZIG-NSHDSACASA-N -1 0 309.322 -0.280 20 0 DBADRM C[C@@H](NC(=O)CCc1nnn[n-]1)C(=O)NCc1ccccc1 ZINC001433632307 1001913614 /nfs/dbraw/zinc/91/36/14/1001913614.db2.gz QDYLGCIPUXLGOV-SNVBAGLBSA-N -1 0 302.338 -0.047 20 0 DBADRM COc1cc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)ccn1 ZINC001591540125 1016547744 /nfs/dbraw/zinc/54/77/44/1016547744.db2.gz NJUSMSUZLLKTIW-UHFFFAOYSA-N -1 0 301.266 -0.419 20 0 DBADRM CC(C)N(C)CC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001591551180 1016548712 /nfs/dbraw/zinc/54/87/12/1016548712.db2.gz WQPUOMFRZMSNNB-UHFFFAOYSA-N -1 0 306.384 -0.525 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001413701677 1001940421 /nfs/dbraw/zinc/94/04/21/1001940421.db2.gz HNSAABBWJKUOCR-PRJMDXOYSA-N -1 0 312.288 -0.166 20 0 DBADRM CC(C)Cn1ncnc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001591538213 1016551121 /nfs/dbraw/zinc/55/11/21/1016551121.db2.gz DIKAHXTYDLWWMO-SNVBAGLBSA-N -1 0 316.383 -0.382 20 0 DBADRM CC(C)C[C@H](NS(=O)(=O)C[C@H]1CN(C)CCO1)C(=O)[O-] ZINC001591472628 1016542234 /nfs/dbraw/zinc/54/22/34/1016542234.db2.gz QLZSRBAVCDJKOB-MNOVXSKESA-N -1 0 308.400 -0.264 20 0 DBADRM O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001433699154 1001978948 /nfs/dbraw/zinc/97/89/48/1001978948.db2.gz MQRRAXKTOGNTNZ-SSDOTTSWSA-N -1 0 307.310 -0.586 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433698394 1001980817 /nfs/dbraw/zinc/98/08/17/1001980817.db2.gz KVUAEXRHEABZHG-PHDIDXHHSA-N -1 0 304.328 -0.824 20 0 DBADRM O=C(NCC1(OCCO)CCCCC1)c1n[nH]c(=O)[n-]c1=O ZINC001413739363 1001982639 /nfs/dbraw/zinc/98/26/39/1001982639.db2.gz NDNHGPZHAAKEKJ-UHFFFAOYSA-N -1 0 312.326 -0.276 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001433710734 1001985739 /nfs/dbraw/zinc/98/57/39/1001985739.db2.gz ANUPDWMYJGGPBF-RNFRBKRXSA-N -1 0 320.396 -0.364 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)CSc2n[nH]c(=O)[n-]2)CCS1(=O)=O ZINC001433710731 1001987493 /nfs/dbraw/zinc/98/74/93/1001987493.db2.gz ANUPDWMYJGGPBF-NKWVEPMBSA-N -1 0 320.396 -0.364 20 0 DBADRM O=C(NC[C@H](CO)Cc1ccccc1)c1n[nH]c(=O)[n-]c1=O ZINC001433722700 1001997363 /nfs/dbraw/zinc/99/73/63/1001997363.db2.gz IHDAQBIOCQFWMJ-SNVBAGLBSA-N -1 0 304.306 -0.136 20 0 DBADRM CC(C)N(C[C@H](O)CO)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001591573675 1016552970 /nfs/dbraw/zinc/55/29/70/1016552970.db2.gz PELSMGWWKKCTGY-JTQLQIEISA-N -1 0 309.384 -0.365 20 0 DBADRM CC(C)N(CCN(C)CC(=O)N(C)C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001591593927 1016553901 /nfs/dbraw/zinc/55/39/01/1016553901.db2.gz LTBHDKPAWKVYPM-VXGBXAGGSA-N -1 0 313.398 -0.036 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)C[C@H]1C(=O)OC ZINC001413794219 1002013983 /nfs/dbraw/zinc/01/39/83/1002013983.db2.gz RJQVEFNIYDPQFL-OCAPTIKFSA-N -1 0 311.294 -0.840 20 0 DBADRM CC(C)NC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001591644702 1016556720 /nfs/dbraw/zinc/55/67/20/1016556720.db2.gz CZTJXMUZBBBCMI-UHFFFAOYSA-N -1 0 303.340 -0.474 20 0 DBADRM CC(C)NC(=O)[C@H](C)NS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001591640177 1016556758 /nfs/dbraw/zinc/55/67/58/1016556758.db2.gz SQBZVMMJLADBIE-QMMMGPOBSA-N -1 0 315.351 -0.029 20 0 DBADRM CC(C)N1CC[C@@H](N2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)C1=O ZINC001591617309 1016557022 /nfs/dbraw/zinc/55/70/22/1016557022.db2.gz AFTCSOGKUCXPKQ-KYXWUPHJSA-N -1 0 309.322 -0.363 20 0 DBADRM CCn1c([C@@H](O)COC)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001597842565 1017209210 /nfs/dbraw/zinc/20/92/10/1017209210.db2.gz JESZDKQCWGASIZ-UFBFGSQYSA-N -1 0 302.306 -0.019 20 0 DBADRM CC(C)N1CC[C@H](n2nnnc2N2CC[C@@H](C(=O)[O-])C2)C1=O ZINC001591623247 1016557193 /nfs/dbraw/zinc/55/71/93/1016557193.db2.gz RAOLSTOKHOBHEY-ZJUUUORDSA-N -1 0 308.342 -0.234 20 0 DBADRM CC(C)N1CC[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1=O ZINC001591622573 1016557489 /nfs/dbraw/zinc/55/74/89/1016557489.db2.gz FVHPNGIGZMVDKY-QMMMGPOBSA-N -1 0 316.339 -0.605 20 0 DBADRM CC(C)N1CC[C@@H](n2nnnc2N2CC[C@@H](C(=O)[O-])C2)C1=O ZINC001591623244 1016557761 /nfs/dbraw/zinc/55/77/61/1016557761.db2.gz RAOLSTOKHOBHEY-NXEZZACHSA-N -1 0 308.342 -0.234 20 0 DBADRM CC(C)NC(=O)CN(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001591641247 1016558347 /nfs/dbraw/zinc/55/83/47/1016558347.db2.gz NXEPTGQFPFSVDP-SNVBAGLBSA-N -1 0 313.354 -0.707 20 0 DBADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001413841079 1002036876 /nfs/dbraw/zinc/03/68/76/1002036876.db2.gz MYXXVTCHKGALRT-VXGBXAGGSA-N -1 0 319.317 -0.155 20 0 DBADRM CC(C)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001591624597 1016558408 /nfs/dbraw/zinc/55/84/08/1016558408.db2.gz QQHOGSFFJUGSSO-QWRGUYRKSA-N -1 0 318.395 -0.431 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)NCCSCC(=O)[O-] ZINC001591641071 1016558498 /nfs/dbraw/zinc/55/84/98/1016558498.db2.gz HFOBMTADFTZKSK-UHFFFAOYSA-N -1 0 305.400 -0.623 20 0 DBADRM CO[C@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)c1cnn(C)c1 ZINC001413849660 1002041119 /nfs/dbraw/zinc/04/11/19/1002041119.db2.gz JJXKKCKAEKPZBL-ZETCQYMHSA-N -1 0 314.327 -0.732 20 0 DBADRM CCC1(C(=O)NC[C@@H]2CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001433812386 1002043385 /nfs/dbraw/zinc/04/33/85/1002043385.db2.gz UXRUIFFDNDFKTQ-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM CC(C)NC(=O)NCCN1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001591652843 1016559923 /nfs/dbraw/zinc/55/99/23/1016559923.db2.gz OKQODAJTKXWBLD-JTQLQIEISA-N -1 0 300.359 -0.641 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001433830133 1002056694 /nfs/dbraw/zinc/05/66/94/1002056694.db2.gz MHDLLESPDPVRLR-RKDXNWHRSA-N -1 0 320.349 -0.480 20 0 DBADRM CC(C)NC(=O)CN1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001591645248 1016561904 /nfs/dbraw/zinc/56/19/04/1016561904.db2.gz QZUKGJJZMHLOGU-NEPJUHHUSA-N -1 0 311.382 -0.188 20 0 DBADRM CC(C)NC(=O)CN1CC=C(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001591645481 1016562043 /nfs/dbraw/zinc/56/20/43/1016562043.db2.gz VBSABIVHEUUMLU-STQMWFEESA-N -1 0 323.393 -0.020 20 0 DBADRM CC(C)NC(=O)OC1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001591657698 1016562206 /nfs/dbraw/zinc/56/22/06/1016562206.db2.gz XGXFHWGTTJCXOI-ZJUUUORDSA-N -1 0 300.311 -0.036 20 0 DBADRM Cc1nnc([C@H]2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)[nH]1 ZINC001433852957 1002071685 /nfs/dbraw/zinc/07/16/85/1002071685.db2.gz DDSFTKGDPYLWEU-QMMMGPOBSA-N -1 0 307.314 -0.478 20 0 DBADRM O=C(CC1CCC1)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001433860944 1002075376 /nfs/dbraw/zinc/07/53/76/1002075376.db2.gz XNBRNTRZEWTVDB-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM CCC(=O)NCC(=O)NCC1(NC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001433863019 1002079761 /nfs/dbraw/zinc/07/97/61/1002079761.db2.gz WQTHHWJVMQEATJ-UHFFFAOYSA-N -1 0 323.353 -0.671 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)CC(C)(C)O)CC2)c1[O-] ZINC001433868465 1002082432 /nfs/dbraw/zinc/08/24/32/1002082432.db2.gz HJDQXEXFTSDXMI-UHFFFAOYSA-N -1 0 310.354 -0.037 20 0 DBADRM CS(=O)(=O)C1CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001591673371 1016566494 /nfs/dbraw/zinc/56/64/94/1016566494.db2.gz RZAJMILMUGYCSO-UHFFFAOYSA-N -1 0 323.334 -0.559 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CC[C@H](NC(N)=O)C2)cc1=O ZINC001433878903 1002090514 /nfs/dbraw/zinc/09/05/14/1002090514.db2.gz CWDNTERPJMYBQP-JTQLQIEISA-N -1 0 309.370 -0.356 20 0 DBADRM CC(C)OC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001591676024 1016568340 /nfs/dbraw/zinc/56/83/40/1016568340.db2.gz PNAKDUWYDCOXDS-UHFFFAOYSA-N -1 0 304.324 -0.047 20 0 DBADRM COCCn1nc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)ccc1=O ZINC001433891524 1002098692 /nfs/dbraw/zinc/09/86/92/1002098692.db2.gz OTJFPIPVKZDXDU-SECBINFHSA-N -1 0 321.341 -0.722 20 0 DBADRM CNC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001433902104 1002102576 /nfs/dbraw/zinc/10/25/76/1002102576.db2.gz AYSIBFZHYBYHCP-JTQLQIEISA-N -1 0 319.321 -0.837 20 0 DBADRM O=C(CCc1nnn[n-]1)NC1CCN(c2cccnn2)CC1 ZINC001433910345 1002108144 /nfs/dbraw/zinc/10/81/44/1002108144.db2.gz SNPACLAXKANTLU-UHFFFAOYSA-N -1 0 302.342 -0.293 20 0 DBADRM CC(C)OC[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CCO1 ZINC001433924626 1002116595 /nfs/dbraw/zinc/11/65/95/1002116595.db2.gz PNDLXMFSRSNIBB-SECBINFHSA-N -1 0 300.315 -0.658 20 0 DBADRM Cn1cc([C@H](O)C(=O)N2CCSC[C@@H]2c2nnn[n-]2)cn1 ZINC001433926980 1002119605 /nfs/dbraw/zinc/11/96/05/1002119605.db2.gz WIENONDQLGXUAY-BDAKNGLRSA-N -1 0 309.355 -0.717 20 0 DBADRM CS(=O)(=O)[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001433935855 1002124931 /nfs/dbraw/zinc/12/49/31/1002124931.db2.gz CCWZRBGZAGCBIL-QMMMGPOBSA-N -1 0 318.355 -0.885 20 0 DBADRM CC1(C)OC[C@H]2C[C@]21C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001433937909 1002126615 /nfs/dbraw/zinc/12/66/15/1002126615.db2.gz YXRUBCHZQGNBEJ-YMTOWFKASA-N -1 0 307.354 -0.175 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001433943340 1002129735 /nfs/dbraw/zinc/12/97/35/1002129735.db2.gz NXUOBSVCWGJRTO-IUCAKERBSA-N -1 0 310.358 -0.091 20 0 DBADRM O=C(NCC1(NC(=O)C2CCC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001433948511 1002130267 /nfs/dbraw/zinc/13/02/67/1002130267.db2.gz VOSUYWADLPGEAN-UHFFFAOYSA-N -1 0 307.310 -0.539 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC2(CCOCC2)O1 ZINC001433958035 1002135351 /nfs/dbraw/zinc/13/53/51/1002135351.db2.gz GZFZUDPTUWYHSB-VIFPVBQESA-N -1 0 312.326 -0.514 20 0 DBADRM CS/C=C\C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001591693564 1016573726 /nfs/dbraw/zinc/57/37/26/1016573726.db2.gz MEQOGZMOVAEDAA-DJWKRKHSSA-N -1 0 323.338 -0.878 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](CO)Cc1cccnc1 ZINC001433966416 1002140069 /nfs/dbraw/zinc/14/00/69/1002140069.db2.gz JFPDLLNVWUXNID-SNVBAGLBSA-N -1 0 307.310 -0.948 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001591705442 1016577700 /nfs/dbraw/zinc/57/77/00/1016577700.db2.gz QILMRZCWTKOIRU-VHSXEESVSA-N -1 0 307.368 -0.100 20 0 DBADRM CSC[C@H](C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591696269 1016578075 /nfs/dbraw/zinc/57/80/75/1016578075.db2.gz QTAHFPKZJYXPBM-ZETCQYMHSA-N -1 0 311.375 -0.491 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001591705440 1016578331 /nfs/dbraw/zinc/57/83/31/1016578331.db2.gz QILMRZCWTKOIRU-UWVGGRQHSA-N -1 0 307.368 -0.100 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)NC[C@H](C)O)cc1-c1nnn[n-]1 ZINC001591704956 1016578588 /nfs/dbraw/zinc/57/85/88/1016578588.db2.gz VCYTVWAYDIJYLC-YFKPBYRVSA-N -1 0 310.339 -0.200 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CN1C(=O)CCC1=O ZINC001591703601 1016578858 /nfs/dbraw/zinc/57/88/58/1016578858.db2.gz FKKCUAZIMBWTKY-SECBINFHSA-N -1 0 300.311 -0.528 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CS(=O)(=O)C1CC1 ZINC001591705351 1016578898 /nfs/dbraw/zinc/57/88/98/1016578898.db2.gz WEBBKHQVEXUPGP-SNVBAGLBSA-N -1 0 307.368 -0.100 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)ccc1F ZINC001434041593 1002187983 /nfs/dbraw/zinc/18/79/83/1002187983.db2.gz MZMAFIZTFLGJHE-UHFFFAOYSA-N -1 0 316.270 -0.384 20 0 DBADRM O=C(Cn1cc(Br)cn1)Nn1c(=O)[n-][nH]c1=O ZINC001434043311 1002188626 /nfs/dbraw/zinc/18/86/26/1002188626.db2.gz QDGNBZXGGWRHMA-UHFFFAOYSA-N -1 0 303.076 -0.581 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cc(Br)c[nH]c1=O ZINC001434041512 1002189296 /nfs/dbraw/zinc/18/92/96/1002189296.db2.gz MUINQYIHPBZDOA-UHFFFAOYSA-N -1 0 316.071 -0.064 20 0 DBADRM C[C@@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591735564 1016582377 /nfs/dbraw/zinc/58/23/77/1016582377.db2.gz WCKBNYIGSCBSOT-HTQZYQBOSA-N -1 0 313.339 -0.006 20 0 DBADRM CC(C)OCCONC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001591726719 1016582466 /nfs/dbraw/zinc/58/24/66/1016582466.db2.gz JRBASXSLPNFWCU-UHFFFAOYSA-N -1 0 301.303 -0.368 20 0 DBADRM C[C@@H](O)C(=O)Nc1ccccc1-n1cnc(-c2nnn[n-]2)n1 ZINC001591731778 1016583322 /nfs/dbraw/zinc/58/33/22/1016583322.db2.gz PBEWRGCWQKBAMM-SSDOTTSWSA-N -1 0 300.282 -0.233 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]CC(=O)Nc1cccnc1 ZINC001414208843 1002252878 /nfs/dbraw/zinc/25/28/78/1002252878.db2.gz IUMJYTSVZJUBEI-UHFFFAOYSA-N -1 0 306.369 -0.418 20 0 DBADRM C[Si](C)(C)Cn1c(=O)c(-c2nnn[n-]2)cn(CCO)c1=O ZINC001591779614 1016591913 /nfs/dbraw/zinc/59/19/13/1016591913.db2.gz LJFOWACUNAYRDT-UHFFFAOYSA-N -1 0 310.390 -0.940 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)Cc1noc(C2CC2)n1)C(=O)OC ZINC001414224935 1002259307 /nfs/dbraw/zinc/25/93/07/1002259307.db2.gz AHGZHABFEJYXNN-MRVPVSSYSA-N -1 0 319.339 -0.446 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC2CC=CC2)c(=O)n1CCO ZINC001591793794 1016593517 /nfs/dbraw/zinc/59/35/17/1016593517.db2.gz JKAHVKCGDAVGMR-UHFFFAOYSA-N -1 0 318.337 -0.543 20 0 DBADRM COC[C@](C)([N-]S(=O)(=O)Cc1nocc1C)C(=O)OC ZINC001414234705 1002272800 /nfs/dbraw/zinc/27/28/00/1002272800.db2.gz WRMBGGARLWHMIC-NSHDSACASA-N -1 0 306.340 -0.019 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N(C)Cc2nc(=O)o[n-]2)co1 ZINC001434121137 1002273549 /nfs/dbraw/zinc/27/35/49/1002273549.db2.gz UDVXOKGSVITCHG-UHFFFAOYSA-N -1 0 316.295 -0.864 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC[C@H]2CCCO2)c(=O)n1C ZINC001591793779 1016594667 /nfs/dbraw/zinc/59/46/67/1016594667.db2.gz ISRFIKXICZZWHS-SECBINFHSA-N -1 0 306.326 -0.395 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CCOCC2CC2)c(=O)n1C ZINC001591794117 1016597869 /nfs/dbraw/zinc/59/78/69/1016597869.db2.gz ZEKKAKKWDIIGRL-UHFFFAOYSA-N -1 0 306.326 -0.538 20 0 DBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1)C(N)=O ZINC001591833238 1016597916 /nfs/dbraw/zinc/59/79/16/1016597916.db2.gz YXEMKZLUSQKBPJ-SNVBAGLBSA-N -1 0 307.306 -0.051 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1COC[C@H]1O ZINC001414267987 1002294174 /nfs/dbraw/zinc/29/41/74/1002294174.db2.gz NJQBMCSRZRHMND-GMJGCRJXSA-N -1 0 300.402 -0.523 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N[C@H]2C[C@H](C)OC2=O)CC1 ZINC001414274750 1002301247 /nfs/dbraw/zinc/30/12/47/1002301247.db2.gz DVUGIHTZTFDLFS-IUCAKERBSA-N -1 0 305.352 -0.047 20 0 DBADRM CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001591853399 1016600227 /nfs/dbraw/zinc/60/02/27/1016600227.db2.gz AKOBOODHPZBWTR-TUAOUCFPSA-N -1 0 312.366 -0.169 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H]2C(=O)OCC2(C)C)n[nH]1 ZINC001414285127 1002306191 /nfs/dbraw/zinc/30/61/91/1002306191.db2.gz WFMAUJHTIUYWNZ-MRVPVSSYSA-N -1 0 317.323 -0.574 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C(=O)[O-])n1 ZINC001591845877 1016600607 /nfs/dbraw/zinc/60/06/07/1016600607.db2.gz DRZRMXTVZIJZTQ-JBLDHEPKSA-N -1 0 320.349 -0.019 20 0 DBADRM COC(=O)C1=CC[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001434191112 1002311250 /nfs/dbraw/zinc/31/12/50/1002311250.db2.gz SJPOSAWTPNJBOF-SECBINFHSA-N -1 0 310.310 -0.153 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@@H](CO)CCF ZINC001591834706 1016601104 /nfs/dbraw/zinc/60/11/04/1016601104.db2.gz OHFCZYDTCDDJEO-SSDOTTSWSA-N -1 0 310.289 -0.274 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001591843866 1016601346 /nfs/dbraw/zinc/60/13/46/1016601346.db2.gz KNFKAPSERPFJQD-GZMMTYOYSA-N -1 0 322.383 -0.955 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@H]1C[C@H](CO)C1 ZINC001591836419 1016601434 /nfs/dbraw/zinc/60/14/34/1016601434.db2.gz SKLISMYDPSTRHM-ZKCHVHJHSA-N -1 0 304.310 -0.224 20 0 DBADRM CC(C)[C@@H](O)C(=O)NC[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001591845805 1016602383 /nfs/dbraw/zinc/60/23/83/1016602383.db2.gz APJZAGVTUYASBH-JFGNBEQYSA-N -1 0 322.365 -0.080 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC(OCC(N)=O)CC1)C(=O)[O-] ZINC001591868338 1016603577 /nfs/dbraw/zinc/60/35/77/1016603577.db2.gz WKLPHYBDRGCTOZ-ZDUSSCGKSA-N -1 0 315.370 -0.822 20 0 DBADRM C[C@H]1NC(C(=O)N(C)c2nnn[n-]2)=NN(c2ccccc2)C1=O ZINC001434232527 1002334002 /nfs/dbraw/zinc/33/40/02/1002334002.db2.gz SFEDAWLSPNEWDK-MRVPVSSYSA-N -1 0 314.309 -0.499 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCOC[C@]12CCOC2)C(=O)[O-] ZINC001591871192 1016604764 /nfs/dbraw/zinc/60/47/64/1016604764.db2.gz WKZNUUSASNRZDH-GXTWGEPZSA-N -1 0 300.355 -0.297 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC2(COC(=O)N2)CC1)C(=O)[O-] ZINC001591866938 1016605071 /nfs/dbraw/zinc/60/50/71/1016605071.db2.gz MWSMIMTUVWGBIQ-NSHDSACASA-N -1 0 313.354 -0.214 20 0 DBADRM C[C@](CO)(Cc1ccccc1F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001434247347 1002341400 /nfs/dbraw/zinc/34/14/00/1002341400.db2.gz CMIOOLJWLRWKBM-CQSZACIVSA-N -1 0 324.312 -0.062 20 0 DBADRM COc1ccccc1[C@H](O)C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001434273992 1002353974 /nfs/dbraw/zinc/35/39/74/1002353974.db2.gz ILKMOPAYCQQYJS-PWSUYJOCSA-N -1 0 319.321 -0.158 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cn(C)cn2)on1 ZINC001414368768 1002354051 /nfs/dbraw/zinc/35/40/51/1002354051.db2.gz LHNDCVUUTDOWMB-UHFFFAOYSA-N -1 0 300.296 -0.327 20 0 DBADRM Cc1cn2c(n1)C[C@H](C(=O)N1CCOC[C@H]1c1nnn[n-]1)CC2 ZINC001434278376 1002356146 /nfs/dbraw/zinc/35/61/46/1002356146.db2.gz UHLBIXRMLFQBTC-MNOVXSKESA-N -1 0 317.353 -0.133 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001434301795 1002363795 /nfs/dbraw/zinc/36/37/95/1002363795.db2.gz QQJHLYASAHFHMM-UHFFFAOYSA-N -1 0 323.401 -0.638 20 0 DBADRM CC(C)[C@H](NC(=O)Cn1ccnc1S(C)(=O)=O)C(=O)[O-] ZINC001591886043 1016610767 /nfs/dbraw/zinc/61/07/67/1016610767.db2.gz WQSLBBNUEGVORQ-VIFPVBQESA-N -1 0 303.340 -0.488 20 0 DBADRM COCCn1ncc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)c1C ZINC001434314157 1002371999 /nfs/dbraw/zinc/37/19/99/1002371999.db2.gz FFAMOZJHXCLSAI-SNVBAGLBSA-N -1 0 305.342 -0.019 20 0 DBADRM CCn1[n-]nnc1=NC(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC001414446250 1002374253 /nfs/dbraw/zinc/37/42/53/1002374253.db2.gz DSNLJVWDPVAPCZ-UHFFFAOYSA-N -1 0 307.318 -0.990 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCCC[C@H]1CS(C)(=O)=O ZINC001414445533 1002375229 /nfs/dbraw/zinc/37/52/29/1002375229.db2.gz DQTHKFBJLOYELJ-VIFPVBQESA-N -1 0 316.387 -0.454 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001591894311 1016611575 /nfs/dbraw/zinc/61/15/75/1016611575.db2.gz GXYYHBPHLOGLEA-BBBLOLIVSA-N -1 0 301.343 -0.467 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)N=c2nn[n-]n2CC)[C@@]12CCCO2 ZINC001414447452 1002375543 /nfs/dbraw/zinc/37/55/43/1002375543.db2.gz MRXYHMDEDSBLAL-CWSCBRNRSA-N -1 0 310.358 -0.037 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN(CC(F)F)C1 ZINC001434317755 1002375992 /nfs/dbraw/zinc/37/59/92/1002375992.db2.gz WETREQJYYDWCAC-ZETCQYMHSA-N -1 0 305.285 -0.608 20 0 DBADRM CC(C)[C@H](NC(=O)Cn1cc(Cl)c(=O)[nH]c1=O)C(=O)[O-] ZINC001591885815 1016611697 /nfs/dbraw/zinc/61/16/97/1016611697.db2.gz PQXVVNBVLSUBFA-QMMMGPOBSA-N -1 0 303.702 -0.172 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@]3(CNC(=O)C3)C2)n1 ZINC001591888766 1016611849 /nfs/dbraw/zinc/61/18/49/1016611849.db2.gz JPQWNRUGMILTID-CYBMUJFWSA-N -1 0 300.326 -0.318 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CC(C3CS(=O)(=O)C3)C2)n1 ZINC001591884407 1016611878 /nfs/dbraw/zinc/61/18/78/1016611878.db2.gz YZGFGLPXWMZQFN-UHFFFAOYSA-N -1 0 321.366 -0.554 20 0 DBADRM CCCNC(=O)[C@@H]1CCCN(C(=O)N=c2nn[n-]n2CC)C1 ZINC001414446623 1002377336 /nfs/dbraw/zinc/37/73/36/1002377336.db2.gz GEVKPOZCLAVQBG-SNVBAGLBSA-N -1 0 309.374 -0.115 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCc1cn2c(n1)SCC2 ZINC001414446299 1002377466 /nfs/dbraw/zinc/37/74/66/1002377466.db2.gz JMCTTWRFHBTSFO-UHFFFAOYSA-N -1 0 308.371 -0.219 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC(C)(C)c1ncc(OC)c(=O)[nH]1 ZINC001425754050 1002379683 /nfs/dbraw/zinc/37/96/83/1002379683.db2.gz KYKWGELRUAEHRL-UHFFFAOYSA-N -1 0 322.329 -0.324 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NC[C@@H]2CC(C(N)=O)=NO2)n1 ZINC001591894951 1016612418 /nfs/dbraw/zinc/61/24/18/1016612418.db2.gz IJVZJYPBBDCKMC-LURJTMIESA-N -1 0 303.286 -0.993 20 0 DBADRM CC(C)[C@H](O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001591907331 1016614752 /nfs/dbraw/zinc/61/47/52/1016614752.db2.gz MSAGICUWVGQRIN-FZMZJTMJSA-N -1 0 300.355 -0.609 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC001425764563 1002397277 /nfs/dbraw/zinc/39/72/77/1002397277.db2.gz VDKACEDNFCVBAB-SECBINFHSA-N -1 0 308.346 -0.864 20 0 DBADRM C[C@@]1(CC(=O)NC2(c3nnn[n-]3)CCC2)CCS(=O)(=O)N1 ZINC001434358340 1002414854 /nfs/dbraw/zinc/41/48/54/1002414854.db2.gz ARJWIRXNFUGBOY-JTQLQIEISA-N -1 0 314.371 -0.833 20 0 DBADRM NC(=O)Cc1occc1C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001434363762 1002416000 /nfs/dbraw/zinc/41/60/00/1002416000.db2.gz DNVIXAGEYXWHRV-VIFPVBQESA-N -1 0 318.337 -0.085 20 0 DBADRM CCOC(=O)N(C)CCCC(=O)N[C@H](COC)c1nnn[n-]1 ZINC001434362737 1002416681 /nfs/dbraw/zinc/41/66/81/1002416681.db2.gz HXJZUCVNJKZUKW-SECBINFHSA-N -1 0 314.346 -0.128 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CC(c2cccnc2)=NO1)c1nnn[n-]1 ZINC001434365651 1002419497 /nfs/dbraw/zinc/41/94/97/1002419497.db2.gz YTPQADOIJOVOCU-WDEREUQCSA-N -1 0 317.309 -0.408 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H]2CC23CC3)c1[O-] ZINC001425783411 1002427396 /nfs/dbraw/zinc/42/73/96/1002427396.db2.gz KUVVSBDPYUWVBV-VHSXEESVSA-N -1 0 322.365 -0.227 20 0 DBADRM COC(=O)[C@H]1CCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001434384900 1002437752 /nfs/dbraw/zinc/43/77/52/1002437752.db2.gz GICQXYMFMPLYJF-MRVPVSSYSA-N -1 0 304.262 -0.177 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccoc1C1CC1 ZINC001425794320 1002441361 /nfs/dbraw/zinc/44/13/61/1002441361.db2.gz IBVAZVPGDLERLL-SECBINFHSA-N -1 0 321.337 -0.139 20 0 DBADRM CC(C)CC(=O)NCC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001495435704 1016622426 /nfs/dbraw/zinc/62/24/26/1016622426.db2.gz FBGRWDDXNDHXMQ-SECBINFHSA-N -1 0 313.358 -0.254 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001434405889 1002454513 /nfs/dbraw/zinc/45/45/13/1002454513.db2.gz CRVMVNURSFJSDP-JTQLQIEISA-N -1 0 311.386 -0.241 20 0 DBADRM O=C(Nc1nncs1)C1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC001434428033 1002465912 /nfs/dbraw/zinc/46/59/12/1002465912.db2.gz XCMUFPWAOAZANA-UHFFFAOYSA-N -1 0 323.338 -0.147 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)C[C@H]2CCCS2(=O)=O)n[n-]1 ZINC001434428636 1002466395 /nfs/dbraw/zinc/46/63/95/1002466395.db2.gz SBYAJIMCMZAQEK-ZCFIWIBFSA-N -1 0 322.368 -0.886 20 0 DBADRM CC(C)c1nnc(CN2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]1 ZINC001592019416 1016625241 /nfs/dbraw/zinc/62/52/41/1016625241.db2.gz DOSQPFORUCBAGC-NXEZZACHSA-N -1 0 307.354 -0.051 20 0 DBADRM O=C(NCC1(N2CCOCC2)CCOCC1)c1n[nH]c(=O)[n-]1 ZINC001434433463 1002469375 /nfs/dbraw/zinc/46/93/75/1002469375.db2.gz HRHRGBOBGZWKJX-UHFFFAOYSA-N -1 0 311.342 -0.879 20 0 DBADRM O=S1(=O)[N-]C(CN2C[C@H](CO)[C@H](O)C2)=Nc2ccccc21 ZINC001434472795 1002487000 /nfs/dbraw/zinc/48/70/00/1002487000.db2.gz OROPBQUEPINPHG-MWLCHTKSSA-N -1 0 311.363 -0.707 20 0 DBADRM O=S1(=O)[N-]C(CN2C[C@H](O)[C@H](CO)C2)=Nc2ccccc21 ZINC001434472798 1002487057 /nfs/dbraw/zinc/48/70/57/1002487057.db2.gz OROPBQUEPINPHG-ONGXEEELSA-N -1 0 311.363 -0.707 20 0 DBADRM O=S1(=O)[N-]C(CN2C[C@@H](O)[C@H](CO)C2)=Nc2ccccc21 ZINC001434472783 1002488450 /nfs/dbraw/zinc/48/84/50/1002488450.db2.gz OROPBQUEPINPHG-GXSJLCMTSA-N -1 0 311.363 -0.707 20 0 DBADRM CC(C)c1nnc(CNC(=O)NCCn2cc(C(=O)[O-])nn2)[nH]1 ZINC001592060622 1016628451 /nfs/dbraw/zinc/62/84/51/1016628451.db2.gz SNTUNPUMFOUWGX-UHFFFAOYSA-N -1 0 322.329 -0.283 20 0 DBADRM CC(C)n1cnc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC001592145717 1016631142 /nfs/dbraw/zinc/63/11/42/1016631142.db2.gz RZPLACXUOJKOOQ-MRVPVSSYSA-N -1 0 311.298 -0.891 20 0 DBADRM CC(C)n1ccc(CC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])n1 ZINC001592133191 1016631763 /nfs/dbraw/zinc/63/17/63/1016631763.db2.gz FHFNMXCWLQIJEB-LLVKDONJSA-N -1 0 308.338 -0.240 20 0 DBADRM CC(C)n1nccc1NC(=O)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001592169694 1016631987 /nfs/dbraw/zinc/63/19/87/1016631987.db2.gz PNRKXMIVCWRVJA-KOLCDFICSA-N -1 0 324.337 -0.161 20 0 DBADRM CC(C)n1ncnc1Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC001592171447 1016632027 /nfs/dbraw/zinc/63/20/27/1016632027.db2.gz FYQNYJYGOYSQEA-UHFFFAOYSA-N -1 0 317.309 -0.102 20 0 DBADRM CC[C@@](C)([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)OC ZINC001434549617 1002519717 /nfs/dbraw/zinc/51/97/17/1002519717.db2.gz OXPDFVWNMVYHRM-LZVRBXCZSA-N -1 0 315.417 -0.263 20 0 DBADRM CC(C)n1ccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC001592138139 1016633488 /nfs/dbraw/zinc/63/34/88/1016633488.db2.gz PJDMMOZQEWUIJT-NSHDSACASA-N -1 0 324.337 -0.608 20 0 DBADRM CCC(=O)N1CCN(CCNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001414742779 1002526293 /nfs/dbraw/zinc/52/62/93/1002526293.db2.gz ASBYGEVCRMVNFS-UHFFFAOYSA-N -1 0 309.370 -0.292 20 0 DBADRM C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F)C(N)=O ZINC001434560593 1002527308 /nfs/dbraw/zinc/52/73/08/1002527308.db2.gz CLFGBCRQQVIFLI-XJZHNMMOSA-N -1 0 323.371 -0.009 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@@H]1CCC2(CCC2)O1 ZINC001434564956 1002529032 /nfs/dbraw/zinc/52/90/32/1002529032.db2.gz IJZZIMCNYUVLMB-VHSXEESVSA-N -1 0 307.368 -0.459 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC001592193066 1016635360 /nfs/dbraw/zinc/63/53/60/1016635360.db2.gz PTFKGZNRHVGPGM-QKMQQOOLSA-N -1 0 304.368 -0.749 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@]2(C)CCOC2=O)n[nH]1 ZINC001434573763 1002537967 /nfs/dbraw/zinc/53/79/67/1002537967.db2.gz IYGXZDHIDUDSEW-SNVBAGLBSA-N -1 0 303.296 -0.820 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]Cc1ncc2c(n1)CCOC2 ZINC001434583839 1002544258 /nfs/dbraw/zinc/54/42/58/1002544258.db2.gz NVUCIPSVMCBBEA-UHFFFAOYSA-N -1 0 320.396 -0.389 20 0 DBADRM Cc1ccn(CC(=O)c2cn(C)nn2)c(=O)c1-c1nnn[n-]1 ZINC001592265555 1016637273 /nfs/dbraw/zinc/63/72/73/1016637273.db2.gz AAYBATJEECVXLC-UHFFFAOYSA-N -1 0 300.282 -0.652 20 0 DBADRM C[C@@H](CC(=O)NCC(=O)NCC(=O)[O-])NC(=O)C1CCCC1 ZINC001592246810 1016638144 /nfs/dbraw/zinc/63/81/44/1016638144.db2.gz WSAYVZBAUKDRJJ-VIFPVBQESA-N -1 0 313.354 -0.612 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC001592220702 1016638583 /nfs/dbraw/zinc/63/85/83/1016638583.db2.gz ZUQXINWYSKDWRY-XDVGHUOJSA-N -1 0 303.278 -0.413 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C)CCNC2=O)on1 ZINC001434634206 1002559703 /nfs/dbraw/zinc/55/97/03/1002559703.db2.gz GXVHQAMVCVOUFQ-JTQLQIEISA-N -1 0 303.296 -0.982 20 0 DBADRM C[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1nnnn1C ZINC001434646854 1002564540 /nfs/dbraw/zinc/56/45/40/1002564540.db2.gz XYTKGSPQCLZERK-ZETCQYMHSA-N -1 0 308.389 -0.633 20 0 DBADRM C[C@H](CC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-])c1cnn(C)c1 ZINC001592226745 1016639863 /nfs/dbraw/zinc/63/98/63/1016639863.db2.gz IAIRZSAXUXUVIM-KOLCDFICSA-N -1 0 308.338 -0.333 20 0 DBADRM Cn1cc(CNS(=O)(=O)c2ccccc2[O-])c(=O)[nH]c1=O ZINC001434671180 1002570235 /nfs/dbraw/zinc/57/02/35/1002570235.db2.gz LAGAXNTXNXHEQJ-UHFFFAOYSA-N -1 0 311.319 -0.330 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)CS(C)(=O)=O)c1ccncc1 ZINC001592291391 1016640433 /nfs/dbraw/zinc/64/04/33/1016640433.db2.gz QLEJFVJLPPIFLV-LBPRGKRZSA-N -1 0 300.336 -0.068 20 0 DBADRM Cc1cc[nH]c(=O)c1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592275719 1016641809 /nfs/dbraw/zinc/64/18/09/1016641809.db2.gz WDEXHBJFAWGOKJ-UHFFFAOYSA-N -1 0 315.297 -0.703 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](CC(N)=O)c1ccccc1 ZINC001434729689 1002580338 /nfs/dbraw/zinc/58/03/38/1002580338.db2.gz IPZJUOCXXWCYJZ-SNVBAGLBSA-N -1 0 303.326 -0.147 20 0 DBADRM Cc1ccn2c(=O)cc(Cn3cc(-c4nnn[n-]4)nn3)nc2c1 ZINC001592265676 1016642782 /nfs/dbraw/zinc/64/27/82/1016642782.db2.gz HKICADHGGKORSH-UHFFFAOYSA-N -1 0 309.293 -0.177 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)C[C@@H]1CC(=O)NC1=O)c1ccccn1 ZINC001592281356 1016642993 /nfs/dbraw/zinc/64/29/93/1016642993.db2.gz VRJXCQNKVQYJGB-BJOHPYRUSA-N -1 0 319.317 -0.060 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)Nc1n[nH]nc1C(=O)NC1CC1 ZINC001434755413 1002588108 /nfs/dbraw/zinc/58/81/08/1002588108.db2.gz PHPBKUOWIYCTCE-RKDXNWHRSA-N -1 0 324.341 -0.378 20 0 DBADRM Cc1n[nH]c(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)c1C ZINC001592326633 1016645453 /nfs/dbraw/zinc/64/54/53/1016645453.db2.gz VXQMLLUMJMKJSB-MRVPVSSYSA-N -1 0 316.329 -0.324 20 0 DBADRM Cc1nc(-c2nn[nH]n2)cc(N(C)CCN2CCOCC2)n1 ZINC001592338833 1016645882 /nfs/dbraw/zinc/64/58/82/1016645882.db2.gz QGMYWUXRMCVBIB-UHFFFAOYSA-N -1 0 304.358 -0.266 20 0 DBADRM Cc1[nH]nc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1Cl ZINC001592330104 1016646035 /nfs/dbraw/zinc/64/60/35/1016646035.db2.gz KXYFBAOAKADTHH-UHFFFAOYSA-N -1 0 308.693 -0.218 20 0 DBADRM O=C(CCC1CC1)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001414999614 1002627686 /nfs/dbraw/zinc/62/76/86/1002627686.db2.gz KBFYTUYDKISWDF-AOOOYVTPSA-N -1 0 323.353 -0.357 20 0 DBADRM Cc1nc(C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1-c1nn[nH]n1 ZINC001592346696 1016650532 /nfs/dbraw/zinc/65/05/32/1016650532.db2.gz QGYIKFZGSGRBBO-JTQLQIEISA-N -1 0 318.293 -0.504 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CN(C)Cc2ccon2)c1[O-] ZINC001426063222 1002657891 /nfs/dbraw/zinc/65/78/91/1002657891.db2.gz RNRQZHPMYPFAKF-LLVKDONJSA-N -1 0 323.353 -0.023 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)c1ccccn1 ZINC001426068570 1002663823 /nfs/dbraw/zinc/66/38/23/1002663823.db2.gz YTIPBFLIPATFKV-JTQLQIEISA-N -1 0 320.353 -0.530 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)c1ccccn1 ZINC001426068572 1002665620 /nfs/dbraw/zinc/66/56/20/1002665620.db2.gz YTIPBFLIPATFKV-SNVBAGLBSA-N -1 0 320.353 -0.530 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC001592385418 1016653849 /nfs/dbraw/zinc/65/38/49/1016653849.db2.gz STQFMUNXZSZYER-UINNMSKDSA-N -1 0 311.338 -0.018 20 0 DBADRM Cc1nc(C)c(Cn2c(=O)c(-c3nnn[n-]3)c(C)n(C)c2=O)o1 ZINC001592357784 1016654487 /nfs/dbraw/zinc/65/44/87/1016654487.db2.gz YRSYXGBHUMTKHG-UHFFFAOYSA-N -1 0 317.309 -0.311 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC001592367289 1016654846 /nfs/dbraw/zinc/65/48/46/1016654846.db2.gz MCXIUMJHJWPLLZ-BDAKNGLRSA-N -1 0 314.338 -0.247 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)CC(C)(F)F ZINC001426084827 1002680636 /nfs/dbraw/zinc/68/06/36/1002680636.db2.gz RAZVYAYRCDYJTL-QMMMGPOBSA-N -1 0 321.328 -0.193 20 0 DBADRM CCCC(=O)NCc1nc(CNCC(=O)NCC)cc(=O)[nH]1 ZINC001436436363 1002709686 /nfs/dbraw/zinc/70/96/86/1002709686.db2.gz JMRWFXVQNFIVAO-UHFFFAOYSA-N -1 0 309.370 -0.176 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)NCCN(C)CCS(C)(=O)=O ZINC001592387998 1016659589 /nfs/dbraw/zinc/65/95/89/1016659589.db2.gz LOVRWGGIRXWIMW-JTQLQIEISA-N -1 0 308.400 -0.420 20 0 DBADRM Cc1nn(C)c(C)c1OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001592430521 1016662515 /nfs/dbraw/zinc/66/25/15/1016662515.db2.gz LIMWWAYFXGFUQS-QMMMGPOBSA-N -1 0 317.313 -0.025 20 0 DBADRM Cc1nccc(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001592416605 1016663423 /nfs/dbraw/zinc/66/34/23/1016663423.db2.gz JTBWMAVTBPIHCN-SSDOTTSWSA-N -1 0 314.313 -0.566 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001592427576 1016664292 /nfs/dbraw/zinc/66/42/92/1016664292.db2.gz MIMAPCGRDZKHJI-SECBINFHSA-N -1 0 315.341 -0.426 20 0 DBADRM C[C@H](CC(=O)[O-])c1nc(CCN(C)S(=O)(=O)N(C)C)no1 ZINC001592424688 1016665092 /nfs/dbraw/zinc/66/50/92/1016665092.db2.gz VZROKJYRRVSQBD-MRVPVSSYSA-N -1 0 320.371 -0.072 20 0 DBADRM CSCCC(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415226642 1002758868 /nfs/dbraw/zinc/75/88/68/1002758868.db2.gz VLKXRHNGFBAVLC-ZCFIWIBFSA-N -1 0 315.355 -0.730 20 0 DBADRM Cc1nn(CCOC(=O)N(C)C)c(=O)c(-c2nnn[n-]2)c1C ZINC001592437093 1016668644 /nfs/dbraw/zinc/66/86/44/1016668644.db2.gz LOBQQQUAGPAXEE-UHFFFAOYSA-N -1 0 307.314 -0.262 20 0 DBADRM Cc1nn(CCCN2CCOCC2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592437633 1016669570 /nfs/dbraw/zinc/66/95/70/1016669570.db2.gz VTYNGELTVUFQAA-UHFFFAOYSA-N -1 0 319.369 -0.237 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)NCCCNc1ncc(C(=O)[O-])cn1 ZINC001592453275 1016672724 /nfs/dbraw/zinc/67/27/24/1016672724.db2.gz SVEVZRDSUHWUQO-QMMMGPOBSA-N -1 0 309.326 -0.396 20 0 DBADRM Cc1nsc(C)c1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592467441 1016673946 /nfs/dbraw/zinc/67/39/46/1016673946.db2.gz YNVTVJQSWZYJHE-UHFFFAOYSA-N -1 0 319.354 -0.038 20 0 DBADRM Cc1noc([C@H](C)NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001592457074 1016674465 /nfs/dbraw/zinc/67/44/65/1016674465.db2.gz UHDKGXPICPAKAQ-NTSWFWBYSA-N -1 0 318.301 -0.412 20 0 DBADRM Cc1noc(CNC(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)n1 ZINC001592461939 1016674569 /nfs/dbraw/zinc/67/45/69/1016674569.db2.gz MUMYMBCGIVXXSY-UHFFFAOYSA-N -1 0 316.281 -0.103 20 0 DBADRM Cc1nsc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001592467414 1016675148 /nfs/dbraw/zinc/67/51/48/1016675148.db2.gz WOKWWNZGBHTUSW-UHFFFAOYSA-N -1 0 306.315 -0.952 20 0 DBADRM C[C@@H](C[C@H](C)Nc1cc[nH+]c(C(=O)[O-])n1)NC(=O)c1nnc[n-]1 ZINC001592452155 1016675324 /nfs/dbraw/zinc/67/53/24/1016675324.db2.gz JRJBUWORCBBKFV-YUMQZZPRSA-N -1 0 319.325 -0.276 20 0 DBADRM CC(=O)N1CC[C@H](CNC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001415285414 1002801234 /nfs/dbraw/zinc/80/12/34/1002801234.db2.gz DFGUJBPSKFJGSU-SNVBAGLBSA-N -1 0 311.342 -0.546 20 0 DBADRM C[C@@](CCF)(NC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001592496313 1016677609 /nfs/dbraw/zinc/67/76/09/1016677609.db2.gz SDNCYZSNIYZNRT-NSHDSACASA-N -1 0 310.347 -0.964 20 0 DBADRM C[C@](CCF)(NC(=O)C1=NN(CCO)C(=O)CC1)C(=O)[O-] ZINC001592490259 1016679183 /nfs/dbraw/zinc/67/91/83/1016679183.db2.gz ADXBDNGLYUWUGW-GFCCVEGCSA-N -1 0 303.290 -0.724 20 0 DBADRM C[C@](CCF)(NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001592506855 1016680795 /nfs/dbraw/zinc/68/07/95/1016680795.db2.gz GPMLFSUDDOIRID-JOYOIKCWSA-N -1 0 322.358 -0.128 20 0 DBADRM Cc1ccc(C(=O)NCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001415446714 1002837122 /nfs/dbraw/zinc/83/71/22/1002837122.db2.gz YMWCFRULUOZBAD-UHFFFAOYSA-N -1 0 323.309 -0.521 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H]1COCCO1)Nc1ccnc(C(=O)[O-])n1 ZINC001592513972 1016682131 /nfs/dbraw/zinc/68/21/31/1016682131.db2.gz WGPHCMMDTYCNQK-UWVGGRQHSA-N -1 0 324.337 -0.681 20 0 DBADRM NC(=O)CCCC(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001437046206 1002846415 /nfs/dbraw/zinc/84/64/15/1002846415.db2.gz PGPNVTCXXMBTNO-SNVBAGLBSA-N -1 0 324.385 -0.363 20 0 DBADRM C[C@@](CCF)(NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001592506853 1016682376 /nfs/dbraw/zinc/68/23/76/1016682376.db2.gz GPMLFSUDDOIRID-CABZTGNLSA-N -1 0 322.358 -0.128 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001592530872 1016684717 /nfs/dbraw/zinc/68/47/17/1016684717.db2.gz MAXPIEJBTCCBCY-IUCAKERBSA-N -1 0 321.337 -0.818 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)C1=COCCO1 ZINC001592530626 1016684732 /nfs/dbraw/zinc/68/47/32/1016684732.db2.gz KKABWVKWDYADPC-SECBINFHSA-N -1 0 322.321 -0.208 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2cn(C)nc2C)c1[O-] ZINC001415473848 1002851354 /nfs/dbraw/zinc/85/13/54/1002851354.db2.gz VQBNAPPMWJETBG-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NCc2nnnn2C2CC2)c1[O-] ZINC001437120440 1002858483 /nfs/dbraw/zinc/85/84/83/1002858483.db2.gz GDCREFDPWMGGNJ-ZETCQYMHSA-N -1 0 320.357 -0.347 20 0 DBADRM C[C@H](CCNC(=O)c1ccn(C)n1)Nc1ccnc(C(=O)[O-])n1 ZINC001592521651 1016684013 /nfs/dbraw/zinc/68/40/13/1016684013.db2.gz XRBDQKHTHIJSMD-SECBINFHSA-N -1 0 318.337 -0.049 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC001426682864 1002869008 /nfs/dbraw/zinc/86/90/08/1002869008.db2.gz WNEPGSXORJMZLH-HLTSFMKQSA-N -1 0 314.317 -0.527 20 0 DBADRM CCCC(=O)N(C)C[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001426716287 1002874474 /nfs/dbraw/zinc/87/44/74/1002874474.db2.gz MXNGMMWTUCEVJC-QMMMGPOBSA-N -1 0 309.326 -0.244 20 0 DBADRM CN(CCNC(=O)CCC(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415551656 1002878857 /nfs/dbraw/zinc/87/88/57/1002878857.db2.gz CZAYRRRVAITICF-UHFFFAOYSA-N -1 0 319.268 -0.484 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C(C)(F)F ZINC001426749190 1002881060 /nfs/dbraw/zinc/88/10/60/1002881060.db2.gz ZCUVIDMCLFXYIX-RXMQYKEDSA-N -1 0 319.268 -0.485 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001426764163 1002884056 /nfs/dbraw/zinc/88/40/56/1002884056.db2.gz UANJNCURKYSBKV-RNFRBKRXSA-N -1 0 315.305 -0.392 20 0 DBADRM Cn1c(=O)[nH]c(N2CCCOC(C)(C)C2)c(-c2nnn[n-]2)c1=O ZINC001592543681 1016687967 /nfs/dbraw/zinc/68/79/67/1016687967.db2.gz KGEDKDFUTAKHAK-UHFFFAOYSA-N -1 0 321.341 -0.741 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H]2CO[C@H](C3CC3)C2)c(-c2nnn[n-]2)c1=O ZINC001592546146 1016688271 /nfs/dbraw/zinc/68/82/71/1016688271.db2.gz KQEGRNXYSPWUCO-SFYZADRCSA-N -1 0 319.325 -0.355 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2C[C@@H]3CC[C@H]2O3)c(-c2nnn[n-]2)c1=O ZINC001592544956 1016688434 /nfs/dbraw/zinc/68/84/34/1016688434.db2.gz FOTLZMGYGHUNSQ-RRKCRQDMSA-N -1 0 305.298 -0.602 20 0 DBADRM Cn1c(=O)[nH]c(N2CCCC(F)(F)C2)c(-c2nnn[n-]2)c1=O ZINC001592543004 1016688778 /nfs/dbraw/zinc/68/87/78/1016688778.db2.gz DWLHJHPKJOAMIA-UHFFFAOYSA-N -1 0 313.268 -0.511 20 0 DBADRM O=C(N[C@H]1C[C@@H](CNC(=O)C(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC001426807450 1002894563 /nfs/dbraw/zinc/89/45/63/1002894563.db2.gz FJIZDXXXRDPICX-SYDPRGILSA-N -1 0 317.252 -0.828 20 0 DBADRM Cn1c(=O)[nH]c(SC[C@@H]2CCCO2)c(-c2nnn[n-]2)c1=O ZINC001592544974 1016689201 /nfs/dbraw/zinc/68/92/01/1016689201.db2.gz GKWDKSCPEBMLHL-LURJTMIESA-N -1 0 310.339 -0.475 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H]1CCNC1=O ZINC001592531443 1016689240 /nfs/dbraw/zinc/68/92/40/1016689240.db2.gz WQJPBEZGHPGJCX-RKDXNWHRSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@H](CCO)CCNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001592531018 1016689694 /nfs/dbraw/zinc/68/96/94/1016689694.db2.gz QELQJWUFMVMGCF-GUBZILKMSA-N -1 0 303.359 -0.328 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2CCCOCC2)c(-c2nnn[n-]2)c1=O ZINC001592545607 1016689981 /nfs/dbraw/zinc/68/99/81/1016689981.db2.gz GMLVRBAOMAHEMG-SSDOTTSWSA-N -1 0 307.314 -0.353 20 0 DBADRM Cn1c(=O)[nH]c(NCCC2(O)CCC2)c(-c2nnn[n-]2)c1=O ZINC001592546627 1016693324 /nfs/dbraw/zinc/69/33/24/1016693324.db2.gz QGPSGLJMJSZAMF-UHFFFAOYSA-N -1 0 307.314 -0.617 20 0 DBADRM Cn1c(Cn2cnc(-c3nnn[n-]3)n2)nnc1N1CCCCC1 ZINC001592553526 1016694094 /nfs/dbraw/zinc/69/40/94/1016694094.db2.gz GEJPBIJDYDQTDU-UHFFFAOYSA-N -1 0 315.345 -0.375 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2CCC[C@@H]2CCO)c(-c2nnn[n-]2)c1=O ZINC001592546911 1016694242 /nfs/dbraw/zinc/69/42/42/1016694242.db2.gz VZKZNHFLIOSBIN-HTQZYQBOSA-N -1 0 321.341 -0.371 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2C[C@@H]3CCCC[C@@H]32)n(C)c1=O ZINC001592555913 1016696275 /nfs/dbraw/zinc/69/62/75/1016696275.db2.gz UCYRTFVIDIJJAO-IUCAKERBSA-N -1 0 317.353 -0.357 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@H]2C=CCC2)n(C)c1=O ZINC001592555942 1016696548 /nfs/dbraw/zinc/69/65/48/1016696548.db2.gz YQNGRCXDKQFRGP-MRVPVSSYSA-N -1 0 303.326 -0.358 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n([C@@H]2CCC(C)(C)C2=O)c1=O ZINC001592557999 1016696627 /nfs/dbraw/zinc/69/66/27/1016696627.db2.gz JODWZJHGXXLZSB-MRVPVSSYSA-N -1 0 304.310 -0.343 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@H](O)CC2CCCC2)c1=O ZINC001592557863 1016696782 /nfs/dbraw/zinc/69/67/82/1016696782.db2.gz GKDJCRPDPNDFCN-SNVBAGLBSA-N -1 0 320.353 -0.332 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCc2cscn2)n(C)c1=O ZINC001592555133 1016696884 /nfs/dbraw/zinc/69/68/84/1016696884.db2.gz DTDLNESXMLUVQI-UHFFFAOYSA-N -1 0 320.338 -0.667 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(S[C@@H]2CCOC2)n(C)c1=O ZINC001592556996 1016697403 /nfs/dbraw/zinc/69/74/03/1016697403.db2.gz UJBBZHSIGCFDHU-ZCFIWIBFSA-N -1 0 310.339 -0.855 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CCOCC2CCC2)c1=O ZINC001592558277 1016698125 /nfs/dbraw/zinc/69/81/25/1016698125.db2.gz YKTUXWSRDJWQAA-UHFFFAOYSA-N -1 0 306.326 -0.456 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H](C)CC(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001592563677 1016702654 /nfs/dbraw/zinc/70/26/54/1016702654.db2.gz BUTGPUQQFIFBJZ-RKDXNWHRSA-N -1 0 323.353 -0.633 20 0 DBADRM COc1cc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001437458127 1003011512 /nfs/dbraw/zinc/01/15/12/1003011512.db2.gz ONDSYWWKKXBNKA-UHFFFAOYSA-N -1 0 307.314 -0.829 20 0 DBADRM Cn1ccc(S(=O)(=O)[N-]c2ncccc2-c2nn[nH]n2)n1 ZINC001592581884 1016709721 /nfs/dbraw/zinc/70/97/21/1016709721.db2.gz PLKXGAAPVSOWRG-UHFFFAOYSA-N -1 0 306.311 -0.204 20 0 DBADRM C[C@@H](CN(C)C(=O)c1ccncn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592578991 1016709825 /nfs/dbraw/zinc/70/98/25/1016709825.db2.gz MCAXAZQSTZYNCZ-VIFPVBQESA-N -1 0 316.321 -0.041 20 0 DBADRM CC(=O)NCCC[C@@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001495740843 1016710309 /nfs/dbraw/zinc/71/03/09/1016710309.db2.gz NOKMTZQNZZUNQW-SNVBAGLBSA-N -1 0 311.342 -0.403 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCN(C(=O)C1CCC1)C1CC1 ZINC001415872463 1003040135 /nfs/dbraw/zinc/04/01/35/1003040135.db2.gz GQMUAJILDFVFBM-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)CCNC(N)=O ZINC001592588962 1016713951 /nfs/dbraw/zinc/71/39/51/1016713951.db2.gz UGIIVGZWDAJQNQ-QMMMGPOBSA-N -1 0 324.341 -0.826 20 0 DBADRM Cn1nc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)cc1Cl ZINC001592595109 1016714293 /nfs/dbraw/zinc/71/42/93/1016714293.db2.gz RVRBSPLTTKPURT-UHFFFAOYSA-N -1 0 322.716 -0.838 20 0 DBADRM C[C@@H](CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1)C(=O)[O-] ZINC001592592524 1016714705 /nfs/dbraw/zinc/71/47/05/1016714705.db2.gz FVUCDBMMJUVVOB-UWVGGRQHSA-N -1 0 318.395 -0.525 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001437541150 1003060810 /nfs/dbraw/zinc/06/08/10/1003060810.db2.gz ORNUGPBPOAERSQ-JTQLQIEISA-N -1 0 321.385 -0.329 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001437562885 1003066198 /nfs/dbraw/zinc/06/61/98/1003066198.db2.gz FJCCZFFKUAAPPE-UHFFFAOYSA-N -1 0 307.358 -0.359 20 0 DBADRM CN(CCNC(=O)CC[C@@]1(C)CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001437568238 1003070849 /nfs/dbraw/zinc/07/08/49/1003070849.db2.gz KXGTTZFTXZDMHJ-AWEZNQCLSA-N -1 0 324.385 -0.493 20 0 DBADRM CC[C@H](C)CC(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001415993591 1003076793 /nfs/dbraw/zinc/07/67/93/1003076793.db2.gz LEYHJSWPAUQBAD-VIFPVBQESA-N -1 0 322.365 -0.137 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1cc(C)on1 ZINC001437606508 1003089253 /nfs/dbraw/zinc/08/92/53/1003089253.db2.gz GZLOAIDJHNOQNV-UHFFFAOYSA-N -1 0 322.325 -0.169 20 0 DBADRM CCN(CCNC(=O)c1cn(CC)cn1)Cc1n[nH]c(=O)[n-]1 ZINC001437636497 1003105491 /nfs/dbraw/zinc/10/54/91/1003105491.db2.gz BZEXIYCZOLIWHJ-UHFFFAOYSA-N -1 0 307.358 -0.021 20 0 DBADRM Cn1nnnc1SCCC(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001592612895 1016724915 /nfs/dbraw/zinc/72/49/15/1016724915.db2.gz URTPFLBCMKNTBK-UHFFFAOYSA-N -1 0 321.330 -0.766 20 0 DBADRM CN(C(=O)c1nc2ncc(Br)cn2n1)c1nnn[n-]1 ZINC001437662769 1003120498 /nfs/dbraw/zinc/12/04/98/1003120498.db2.gz DNCSCQMGOVIHAE-UHFFFAOYSA-N -1 0 324.102 -0.324 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N(C)c2nnn[n-]2)cn1 ZINC001437669587 1003127082 /nfs/dbraw/zinc/12/70/82/1003127082.db2.gz VYUHIIHKOABRLD-UHFFFAOYSA-N -1 0 311.327 -0.878 20 0 DBADRM CCCCC(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001416064693 1003138524 /nfs/dbraw/zinc/13/85/24/1003138524.db2.gz BRCNPSAZIOHQQK-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCCN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001495828515 1016739063 /nfs/dbraw/zinc/73/90/63/1016739063.db2.gz LBGAQOHJYXENHM-BDAKNGLRSA-N -1 0 323.353 -0.554 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1cccc(-c2nn[nH]n2)c1 ZINC001592613313 1016731372 /nfs/dbraw/zinc/73/13/72/1016731372.db2.gz QNTPPFHRULVODI-UHFFFAOYSA-N -1 0 306.311 -0.204 20 0 DBADRM C[C@@H](CN1CCCC1=O)NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001592617264 1016732261 /nfs/dbraw/zinc/73/22/61/1016732261.db2.gz OUEUGQDCQYHLEK-AXFHLTTASA-N -1 0 313.354 -0.119 20 0 DBADRM CCCN(CCNC(=O)[C@@H](C)NC(C)=O)Cc1n[nH]c(=O)[n-]1 ZINC001437735322 1003179268 /nfs/dbraw/zinc/17/92/68/1003179268.db2.gz GNKPXPVCZBWSRJ-SECBINFHSA-N -1 0 312.374 -0.637 20 0 DBADRM C[C@H](CNC(=O)/C=C\c1ccc(C(=O)[O-])o1)S(N)(=O)=O ZINC001592645790 1016732953 /nfs/dbraw/zinc/73/29/53/1016732953.db2.gz LGIPNHQXQZGYDR-YSCPKTQFSA-N -1 0 302.308 -0.216 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)Nc1ncc(C(=O)[O-])cn1 ZINC001592647220 1016733161 /nfs/dbraw/zinc/73/31/61/1016733161.db2.gz AVZUJXGINQMZBF-BDAKNGLRSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@H](CNC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001592640954 1016733471 /nfs/dbraw/zinc/73/34/71/1016733471.db2.gz SCKMUBADMBOFRJ-MRVPVSSYSA-N -1 0 302.327 -0.195 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1COCCO1)CNc1ccnc(C(=O)[O-])n1 ZINC001592647912 1016733566 /nfs/dbraw/zinc/73/35/66/1016733566.db2.gz QVRAPHVNYIVOEN-UWVGGRQHSA-N -1 0 324.337 -0.824 20 0 DBADRM CCCN(CCNC(=O)Cc1cc[nH]n1)Cc1n[nH]c(=O)[n-]1 ZINC001437743242 1003186628 /nfs/dbraw/zinc/18/66/28/1003186628.db2.gz BCEJOMYOAIJBQR-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM C[C@@H](CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)S(N)(=O)=O ZINC001592640132 1016734505 /nfs/dbraw/zinc/73/45/05/1016734505.db2.gz CISATORMPRQTLH-QMMMGPOBSA-N -1 0 304.368 -0.185 20 0 DBADRM C[C@@](CNC(=O)CN1CCNC(=O)C1)(C(=O)[O-])c1ccccc1 ZINC001592650561 1016734810 /nfs/dbraw/zinc/73/48/10/1016734810.db2.gz IEUAQNAKETYQFI-INIZCTEOSA-N -1 0 319.361 -0.423 20 0 DBADRM C[C@H](CNC(=O)CO[C@H]1CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001592654122 1016736328 /nfs/dbraw/zinc/73/63/28/1016736328.db2.gz SCOMBJFFWTUMIO-ZJUUUORDSA-N -1 0 324.337 -0.681 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)c1ccc(=O)[nH]n1 ZINC001437778410 1003208573 /nfs/dbraw/zinc/20/85/73/1003208573.db2.gz CFTLNHLPCCUNGF-UHFFFAOYSA-N -1 0 319.325 -0.600 20 0 DBADRM C[C@@H](CNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C)C(=O)[O-] ZINC001592660117 1016737616 /nfs/dbraw/zinc/73/76/16/1016737616.db2.gz MGVXDHVABZSOQJ-VHSXEESVSA-N -1 0 301.343 -0.103 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CC(=O)N(C)C)C2CC2)c1[O-] ZINC001437787031 1003220556 /nfs/dbraw/zinc/22/05/56/1003220556.db2.gz ZKLJAQUHTUTRLL-UHFFFAOYSA-N -1 0 309.370 -0.294 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(C)F ZINC001427632953 1003237324 /nfs/dbraw/zinc/23/73/24/1003237324.db2.gz OIHHYGSCKIVCLL-LURJTMIESA-N -1 0 315.305 -0.392 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)c2n[nH]nc2C)c1[O-] ZINC001427644782 1003239877 /nfs/dbraw/zinc/23/98/77/1003239877.db2.gz LBCTZARVLXNWHM-LURJTMIESA-N -1 0 321.341 -0.259 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001427646701 1003242465 /nfs/dbraw/zinc/24/24/65/1003242465.db2.gz TXRFUGPLGYFTBK-KXUCPTDWSA-N -1 0 322.365 -0.281 20 0 DBADRM C[C@H](CNC(=O)c1ccc(=O)[nH]n1)Nc1ncc(C(=O)[O-])cn1 ZINC001592697349 1016745542 /nfs/dbraw/zinc/74/55/42/1016745542.db2.gz RXGJZXIBHJDXHC-SSDOTTSWSA-N -1 0 318.293 -0.099 20 0 DBADRM C[C@@H](CNC(=O)Nc1ccn(CC(=O)[O-])n1)S(C)(=O)=O ZINC001592683756 1016746604 /nfs/dbraw/zinc/74/66/04/1016746604.db2.gz XZJGRGCEXIFZKS-ZETCQYMHSA-N -1 0 304.328 -0.478 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CNc1ccnc(C(=O)[O-])n1 ZINC001592688856 1016746946 /nfs/dbraw/zinc/74/69/46/1016746946.db2.gz PXQOTYLLIPLVSP-SVDPJWKOSA-N -1 0 320.349 -0.347 20 0 DBADRM C[C@@H](CNC(=O)c1cccc(OCC(=O)[O-])c1)S(N)(=O)=O ZINC001592698731 1016747705 /nfs/dbraw/zinc/74/77/05/1016747705.db2.gz KNFRYMFTZVGMOO-QMMMGPOBSA-N -1 0 316.335 -0.443 20 0 DBADRM C[C@H](CNC(=O)c1cn(C)nn1)N(C)c1ccnc(C(=O)[O-])n1 ZINC001592701100 1016749012 /nfs/dbraw/zinc/74/90/12/1016749012.db2.gz IZEHHEGQXUTSDR-MRVPVSSYSA-N -1 0 319.325 -0.442 20 0 DBADRM CC[C@@H](CNC(=O)C1(C)CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001416236335 1003274612 /nfs/dbraw/zinc/27/46/12/1003274612.db2.gz WKQKDYBWZONMIQ-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@@H](CNC(=O)c1cnn(C)n1)N(C)c1ccnc(C(=O)[O-])n1 ZINC001592706166 1016751349 /nfs/dbraw/zinc/75/13/49/1016751349.db2.gz OUWFXDZQBBNTFW-QMMMGPOBSA-N -1 0 319.325 -0.442 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)CCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001437951780 1003295777 /nfs/dbraw/zinc/29/57/77/1003295777.db2.gz GUNYLQMVRVLKBI-RYUDHWBXSA-N -1 0 322.413 -0.258 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438030274 1003320793 /nfs/dbraw/zinc/32/07/93/1003320793.db2.gz KDBZGIJQQWRDNW-ZJUUUORDSA-N -1 0 324.385 -0.494 20 0 DBADRM CC(C)CC(=O)NC[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001416416660 1003322669 /nfs/dbraw/zinc/32/26/69/1003322669.db2.gz AXJVPUPKPCFVDB-SECBINFHSA-N -1 0 313.358 -0.396 20 0 DBADRM CC(=O)N[C@H](C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)C(C)(C)C ZINC001438100175 1003348826 /nfs/dbraw/zinc/34/88/26/1003348826.db2.gz GZMZXDZXCSGWMX-LLVKDONJSA-N -1 0 324.385 -0.639 20 0 DBADRM CC(=O)N1CCCC[C@@H]1CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001416526561 1003352603 /nfs/dbraw/zinc/35/26/03/1003352603.db2.gz HSECLHHRBKYHPQ-SNVBAGLBSA-N -1 0 311.342 -0.403 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(F)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001416556554 1003353096 /nfs/dbraw/zinc/35/30/96/1003353096.db2.gz RFAUYEGJEWBKEX-ZCFIWIBFSA-N -1 0 321.284 -0.789 20 0 DBADRM Cc1cc(CN2CC(CNC(=O)Cn3c(=O)[n-][nH]c3=O)C2)on1 ZINC001438153739 1003360047 /nfs/dbraw/zinc/36/00/47/1003360047.db2.gz VPAMVPSNDVRXKH-UHFFFAOYSA-N -1 0 322.325 -0.766 20 0 DBADRM NC(=O)C1CCN(Cn2cccc(-c3nnn[n-]3)c2=O)CC1 ZINC001592720282 1016762867 /nfs/dbraw/zinc/76/28/67/1016762867.db2.gz IYHCOZYEVUYTNV-UHFFFAOYSA-N -1 0 303.326 -0.817 20 0 DBADRM CCC(=O)NC[C@H](O)CNC(=O)c1n[n-]c2ccccc2c1=O ZINC001416706627 1003391525 /nfs/dbraw/zinc/39/15/25/1003391525.db2.gz UISZALTZTXYYLF-VIFPVBQESA-N -1 0 318.333 -0.048 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@H](C)C(C)C)c1[O-] ZINC001427870822 1003415984 /nfs/dbraw/zinc/41/59/84/1003415984.db2.gz BEBDGUADCVVAJN-SCZZXKLOSA-N -1 0 312.370 -0.077 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@@H](C)C(C)C)c1[O-] ZINC001427870825 1003416119 /nfs/dbraw/zinc/41/61/19/1003416119.db2.gz BEBDGUADCVVAJN-WCBMZHEXSA-N -1 0 312.370 -0.077 20 0 DBADRM Cn1cnc(C(=O)NC[C@@H](NC(=O)c2cn[nH]n2)C2CC2)c1 ZINC001427889054 1003426616 /nfs/dbraw/zinc/42/66/16/1003426616.db2.gz GJWBYWGAWIDJAF-SECBINFHSA-N -1 0 303.326 -0.523 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)Cc1cnc[nH]1 ZINC001592729242 1016770759 /nfs/dbraw/zinc/77/07/59/1016770759.db2.gz JJIUMSMGEFKUPA-SECBINFHSA-N -1 0 318.337 -0.179 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)N(C)C(=O)Cc1nnc[nH]1 ZINC001592728140 1016772365 /nfs/dbraw/zinc/77/23/65/1016772365.db2.gz ANESHCRQOSKKEO-MRVPVSSYSA-N -1 0 319.325 -0.206 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1cccnn1 ZINC001592728604 1016772432 /nfs/dbraw/zinc/77/24/32/1016772432.db2.gz FAMHGCLJXNXUKB-SECBINFHSA-N -1 0 316.321 -0.041 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC001416749554 1003457269 /nfs/dbraw/zinc/45/72/69/1003457269.db2.gz OBTJOVDVYLPYPX-VPOLOUISSA-N -1 0 322.365 -0.323 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001416749796 1003458104 /nfs/dbraw/zinc/45/81/04/1003458104.db2.gz PMTQFTVCFJGBMA-JGVFFNPUSA-N -1 0 302.306 -0.621 20 0 DBADRM CCn1ncc(CN2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001597957189 1017219287 /nfs/dbraw/zinc/21/92/87/1017219287.db2.gz OJFNKEZPBYDLGG-RYUDHWBXSA-N -1 0 307.354 -0.339 20 0 DBADRM CC/C=C(/C)C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001495888626 1016776659 /nfs/dbraw/zinc/77/66/59/1016776659.db2.gz ASUQTFNHROPREN-UITAMQMPSA-N -1 0 311.342 -0.380 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1cn(C)nn1 ZINC001592729573 1016777966 /nfs/dbraw/zinc/77/79/66/1016777966.db2.gz NKQKETVGEWRELA-QMMMGPOBSA-N -1 0 319.325 -0.702 20 0 DBADRM C[C@@](CO)(NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-] ZINC001592733859 1016782325 /nfs/dbraw/zinc/78/23/25/1016782325.db2.gz JAHIQAGQGLZMGL-OTYXRUKQSA-N -1 0 310.306 -0.420 20 0 DBADRM C[C@@](CO)(NC(=O)c1cccc(CS(C)(=O)=O)c1)C(=O)[O-] ZINC001592744581 1016787350 /nfs/dbraw/zinc/78/73/50/1016787350.db2.gz MSWGGBMXFIKFMG-ZDUSSCGKSA-N -1 0 315.347 -0.203 20 0 DBADRM NS(=O)(=O)CC1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001592746461 1016788523 /nfs/dbraw/zinc/78/85/23/1016788523.db2.gz GAQHHDXPHMSVQQ-UHFFFAOYSA-N -1 0 324.370 -0.838 20 0 DBADRM C[C@@](CO)(NCC(=O)NC1CCC2(CC1)OCCO2)C(=O)[O-] ZINC001592750604 1016790881 /nfs/dbraw/zinc/79/08/81/1016790881.db2.gz TUIQTRSARRJBAC-ZDUSSCGKSA-N -1 0 316.354 -0.787 20 0 DBADRM C[C@](CO)(NCC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC001592750186 1016791512 /nfs/dbraw/zinc/79/15/12/1016791512.db2.gz OBDYVOKPOUVGFZ-CQSZACIVSA-N -1 0 310.306 -0.179 20 0 DBADRM C[C@](CO)(NCC(=O)NC[C@H]1COc2ccccc2O1)C(=O)[O-] ZINC001592749803 1016792331 /nfs/dbraw/zinc/79/23/31/1016792331.db2.gz MOGPUUGKGJDUHY-ZUZCIYMTSA-N -1 0 324.333 -0.632 20 0 DBADRM C[C@](CO)(NCC(=O)NC[C@@H]1COc2ccccc2O1)C(=O)[O-] ZINC001592749802 1016793866 /nfs/dbraw/zinc/79/38/66/1016793866.db2.gz MOGPUUGKGJDUHY-MEBBXXQBSA-N -1 0 324.333 -0.632 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1cccc2c1OCC2)C(=O)[O-] ZINC001592755325 1016796405 /nfs/dbraw/zinc/79/64/05/1016796405.db2.gz DQZFUIKRSINKOW-GFCCVEGCSA-N -1 0 301.320 -0.265 20 0 DBADRM C[C@@H](CO)CCCNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001592758567 1016797275 /nfs/dbraw/zinc/79/72/75/1016797275.db2.gz SHNAVRXDJBQLLK-GHMZBOCLSA-N -1 0 316.354 -0.787 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC001592755201 1016797982 /nfs/dbraw/zinc/79/79/82/1016797982.db2.gz AZCAHCMIABEDJZ-LLVKDONJSA-N -1 0 303.340 -0.667 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2cn(C)cn2)c1[O-] ZINC001416884786 1003619427 /nfs/dbraw/zinc/61/94/27/1003619427.db2.gz KSGHJTHZMVFMIY-ZETCQYMHSA-N -1 0 306.326 -0.294 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)CNC(=O)C2CC2)c1[O-] ZINC001416885041 1003621368 /nfs/dbraw/zinc/62/13/68/1003621368.db2.gz NKPAVPAYHDXEQD-ZETCQYMHSA-N -1 0 323.353 -0.816 20 0 DBADRM C[C@@H](CS(=O)(=O)N1C[C@H](O)CC2(CCOCC2)C1)C(=O)[O-] ZINC001592789523 1016801980 /nfs/dbraw/zinc/80/19/80/1016801980.db2.gz ITINZKIIUKJWIZ-WDEREUQCSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C(/C=C/[C@@H]1CCOC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592795218 1016802364 /nfs/dbraw/zinc/80/23/64/1016802364.db2.gz PEXXXVITICQBNU-GPYPMJJRSA-N -1 0 304.314 -0.833 20 0 DBADRM O=C(/C=C/[C@H]1CCOC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592795221 1016802722 /nfs/dbraw/zinc/80/27/22/1016802722.db2.gz PEXXXVITICQBNU-VWCDRPFISA-N -1 0 304.314 -0.833 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[N@H+](CC(=O)[O-])CC1)C(=O)[O-] ZINC001592797771 1016803253 /nfs/dbraw/zinc/80/32/53/1016803253.db2.gz HIAIFLSXDLJUFN-VIFPVBQESA-N -1 0 308.356 -0.871 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCOC[C@H]1[C@H]1CCCO1)C(=O)[O-] ZINC001592799909 1016803913 /nfs/dbraw/zinc/80/39/13/1016803913.db2.gz HHJXUOCYFMEXJR-OUAUKWLOSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@@H]2OCCNC(=O)[C@H]21)C(=O)[O-] ZINC001592799712 1016803984 /nfs/dbraw/zinc/80/39/84/1016803984.db2.gz ZHOXKOLSQQATHW-UTLUCORTSA-N -1 0 320.367 -0.984 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)C(=O)[O-] ZINC001592800079 1016803990 /nfs/dbraw/zinc/80/39/90/1016803990.db2.gz IPWSCIPMAHMLBJ-QWRGUYRKSA-N -1 0 322.427 -0.186 20 0 DBADRM C[C@H](CS(=O)(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2)C(=O)[O-] ZINC001592799387 1016804102 /nfs/dbraw/zinc/80/41/02/1016804102.db2.gz ASWSCDDLMADPQT-KXUCPTDWSA-N -1 0 304.368 -0.268 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H]1CCOC12CCOCC2)C(=O)[O-] ZINC001592806243 1016804825 /nfs/dbraw/zinc/80/48/25/1016804825.db2.gz FPWYMZABHPTXSN-NXEZZACHSA-N -1 0 307.368 -0.035 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCO[C@@]2(CCCOC2)C1)C(=O)[O-] ZINC001592799498 1016804257 /nfs/dbraw/zinc/80/42/57/1016804257.db2.gz DNCILOXRTZBSNR-PWSUYJOCSA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@H](CS(=O)(=O)NCC1(S(C)(=O)=O)CCC1)C(=O)[O-] ZINC001592806963 1016804273 /nfs/dbraw/zinc/80/42/73/1016804273.db2.gz AZGLXHNRXYGNEP-MRVPVSSYSA-N -1 0 313.397 -0.406 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001592815550 1016805336 /nfs/dbraw/zinc/80/53/36/1016805336.db2.gz JFAUGTSCZLDJMG-MRVPVSSYSA-N -1 0 313.397 -0.312 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001592815429 1016805742 /nfs/dbraw/zinc/80/57/42/1016805742.db2.gz GKJIAGMKLVGJBO-LURJTMIESA-N -1 0 302.312 -0.271 20 0 DBADRM C[C@H](CS(=O)(=O)NC[C@H]1COC2(CCOCC2)O1)C(=O)[O-] ZINC001592810552 1016806148 /nfs/dbraw/zinc/80/61/48/1016806148.db2.gz YIHIZDKMUNTUJZ-ZJUUUORDSA-N -1 0 323.367 -0.451 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001592814522 1016806564 /nfs/dbraw/zinc/80/65/64/1016806564.db2.gz SZJPEEPMKHURPL-NXEZZACHSA-N -1 0 306.384 -0.858 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H]1CCN(CC(F)F)C1)C(=O)[O-] ZINC001592809630 1016806616 /nfs/dbraw/zinc/80/66/16/1016806616.db2.gz XVGCPRMFFKRMGQ-HTQZYQBOSA-N -1 0 300.327 -0.034 20 0 DBADRM O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NC1CCC1 ZINC001592857560 1016807686 /nfs/dbraw/zinc/80/76/86/1016807686.db2.gz COPNGVQVLXZXED-UHFFFAOYSA-N -1 0 305.298 -0.812 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001592823129 1016807750 /nfs/dbraw/zinc/80/77/50/1016807750.db2.gz YDTMCWXJTVKHLD-LRCSVWDXSA-N -1 0 318.395 -0.561 20 0 DBADRM O=C(CCOCC(F)F)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592846106 1016808037 /nfs/dbraw/zinc/80/80/37/1016808037.db2.gz UKSVGDLTVWXGRA-UHFFFAOYSA-N -1 0 316.272 -0.754 20 0 DBADRM O=C(CCc1nnn[n-]1)Nc1cc(-c2nn[nH]n2)ccc1O ZINC001592857411 1016808191 /nfs/dbraw/zinc/80/81/91/1016808191.db2.gz JWCVVSDHEDGBSK-UHFFFAOYSA-N -1 0 301.270 -0.343 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001592822424 1016808846 /nfs/dbraw/zinc/80/88/46/1016808846.db2.gz MFRUSZYWHRUYLD-XVJOLYRASA-N -1 0 318.395 -0.114 20 0 DBADRM O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)Nc1cnoc1 ZINC001592859685 1016809782 /nfs/dbraw/zinc/80/97/82/1016809782.db2.gz SPWSDGYPROQSTI-UHFFFAOYSA-N -1 0 318.253 -0.854 20 0 DBADRM C[C@@H](CNC(=O)C1CC(C)C1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001416923731 1003687927 /nfs/dbraw/zinc/68/79/27/1003687927.db2.gz NAEGINOUOXDTQI-WTIBDHCWSA-N -1 0 309.326 -0.437 20 0 DBADRM O=C(CNc1ccc(-c2nn[nH]n2)cn1)[N-]OC1CCOCC1 ZINC001592879225 1016811729 /nfs/dbraw/zinc/81/17/29/1016811729.db2.gz IVZWOCJAZMTVJR-UHFFFAOYSA-N -1 0 319.325 -0.100 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001592926727 1016816543 /nfs/dbraw/zinc/81/65/43/1016816543.db2.gz XRLYGYBKVFYVEF-RWSFTLGLSA-N -1 0 322.365 -0.043 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)[C@H]1CCNC(=O)CC1)C(=O)[O-] ZINC001592916285 1016814648 /nfs/dbraw/zinc/81/46/48/1016814648.db2.gz DGUSHBMWRGTBFP-QMTHXVAHSA-N -1 0 308.338 -0.241 20 0 DBADRM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001592908632 1016814995 /nfs/dbraw/zinc/81/49/95/1016814995.db2.gz FVHSKTKIIXBTCD-KOLCDFICSA-N -1 0 306.326 -0.540 20 0 DBADRM C[C@H](Cc1c[nH]cn1)C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001592907701 1016815321 /nfs/dbraw/zinc/81/53/21/1016815321.db2.gz PXZUSJKACDGDMZ-SECBINFHSA-N -1 0 318.337 -0.273 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cnc2nccn2c1 ZINC001592941386 1016820957 /nfs/dbraw/zinc/82/09/57/1016820957.db2.gz JDFYWHURHIUJHH-UHFFFAOYSA-N -1 0 311.269 -0.860 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@H]1CCC2(CCC2)O1 ZINC001592941106 1016820990 /nfs/dbraw/zinc/82/09/90/1016820990.db2.gz SNBJNAUIIQPXIG-SECBINFHSA-N -1 0 318.341 -0.324 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC(F)(F)C(F)(F)C1 ZINC001592940510 1016821268 /nfs/dbraw/zinc/82/12/68/1016821268.db2.gz KYLJKXGUDNZQHT-UHFFFAOYSA-N -1 0 320.210 -0.429 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cccc2n[nH]nc21 ZINC001592941531 1016821318 /nfs/dbraw/zinc/82/13/18/1016821318.db2.gz CWRFQQGBYAREEK-UHFFFAOYSA-N -1 0 311.269 -0.632 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCC[C@@H]1CCO ZINC001592940013 1016822440 /nfs/dbraw/zinc/82/24/40/1016822440.db2.gz OUSHEBPEXIHGIN-RKDXNWHRSA-N -1 0 306.330 -0.875 20 0 DBADRM Cc1nnccc1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001438895479 1003740904 /nfs/dbraw/zinc/74/09/04/1003740904.db2.gz KJMONPRWGSWPRJ-UHFFFAOYSA-N -1 0 305.342 -0.187 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001592926602 1016817122 /nfs/dbraw/zinc/81/71/22/1016817122.db2.gz SWCALYVZZRCXMS-JTQLQIEISA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@](Cn1cccn1)(NCC(=O)NC[C@H]1CCCO1)C(=O)[O-] ZINC001592923013 1016817195 /nfs/dbraw/zinc/81/71/95/1016817195.db2.gz GSUGNFYAXMTQAV-BXUZGUMPSA-N -1 0 310.354 -0.389 20 0 DBADRM CN(CCN(C)C(=O)CCc1ncccn1)Cc1n[nH]c(=O)[n-]1 ZINC001438923023 1003756032 /nfs/dbraw/zinc/75/60/32/1003756032.db2.gz DSFZKJDNZWDSKI-UHFFFAOYSA-N -1 0 319.369 -0.177 20 0 DBADRM CCC(=O)NCC(=O)N1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001417013812 1003761586 /nfs/dbraw/zinc/76/15/86/1003761586.db2.gz SESMFXCQFIJJBI-VIFPVBQESA-N -1 0 323.353 -0.719 20 0 DBADRM CCC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001417013807 1003764636 /nfs/dbraw/zinc/76/46/36/1003764636.db2.gz SESMFXCQFIJJBI-SECBINFHSA-N -1 0 323.353 -0.719 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001592931330 1016818824 /nfs/dbraw/zinc/81/88/24/1016818824.db2.gz ULRMAPBPYKCLMB-OUAUKWLOSA-N -1 0 308.338 -0.433 20 0 DBADRM C[C@@H](Cn1cncn1)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001592930817 1016819555 /nfs/dbraw/zinc/81/95/55/1016819555.db2.gz XMEVBLJWORTEMY-QMMMGPOBSA-N -1 0 311.323 -0.262 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)nn1)NCc1ccc(F)cc1 ZINC001592936571 1016819567 /nfs/dbraw/zinc/81/95/67/1016819567.db2.gz PXSOQQJGRCBBHL-UHFFFAOYSA-N -1 0 302.273 -0.086 20 0 DBADRM C[C@](Cn1cnc2ccccc21)(NC(=O)CC(N)=O)C(=O)[O-] ZINC001592931136 1016819820 /nfs/dbraw/zinc/81/98/20/1016819820.db2.gz RQMBTOXNABQELM-CQSZACIVSA-N -1 0 304.306 -0.129 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCOCC1CCCC1 ZINC001592940895 1016820747 /nfs/dbraw/zinc/82/07/47/1016820747.db2.gz HOLVFDPDDYETAH-UHFFFAOYSA-N -1 0 320.357 -0.219 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccccn1 ZINC001592970109 1016826935 /nfs/dbraw/zinc/82/69/35/1016826935.db2.gz CAOVACOBBWZWED-MWLCHTKSSA-N -1 0 307.306 -0.429 20 0 DBADRM CC1(CC(=O)NC[C@@H]2CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001417058714 1003805557 /nfs/dbraw/zinc/80/55/57/1003805557.db2.gz YOGYYQXRSIGJBO-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H](NC(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001592979261 1016827174 /nfs/dbraw/zinc/82/71/74/1016827174.db2.gz PKBNHWAEFDYYAH-ZFRURQGFSA-N -1 0 310.350 -0.103 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ncnn1C ZINC001592970808 1016828301 /nfs/dbraw/zinc/82/83/01/1016828301.db2.gz KWQHFGVBLJUDGM-OQPBUACISA-N -1 0 309.326 -0.685 20 0 DBADRM CC(=O)N(C)CC(=O)NC1(CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001417129525 1003827088 /nfs/dbraw/zinc/82/70/88/1003827088.db2.gz VFZZYFOWGCWXIF-UHFFFAOYSA-N -1 0 323.353 -0.719 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1C[C@H]1[C@H]1CCCO1 ZINC001592941941 1016823313 /nfs/dbraw/zinc/82/33/13/1016823313.db2.gz RYULZIBLIAVMLV-IWSPIJDZSA-N -1 0 304.314 -0.858 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc(CO)cc1 ZINC001592941814 1016823549 /nfs/dbraw/zinc/82/35/49/1016823549.db2.gz LIDDAFCZPVZPRJ-UHFFFAOYSA-N -1 0 300.282 -0.411 20 0 DBADRM CC[C@@H](C)C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001417175376 1003836709 /nfs/dbraw/zinc/83/67/09/1003836709.db2.gz XVAMFLVQSPNGCZ-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM CC[C@H](C)C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001417175377 1003837303 /nfs/dbraw/zinc/83/73/03/1003837303.db2.gz XVAMFLVQSPNGCZ-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM C[C@H](Cc1cnn(C)c1)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001417451545 1003883385 /nfs/dbraw/zinc/88/33/85/1003883385.db2.gz CWQMLXTVCXINPY-SECBINFHSA-N -1 0 315.337 -0.448 20 0 DBADRM COC[C@@]1(C)CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001417454804 1003883850 /nfs/dbraw/zinc/88/38/50/1003883850.db2.gz PEKHWYVPOLJZTH-AWEZNQCLSA-N -1 0 305.338 -0.044 20 0 DBADRM C[C@@H](NC(=O)CCc1ocnc1C(=O)[O-])C(=O)NCCF ZINC001593020105 1016831999 /nfs/dbraw/zinc/83/19/99/1016831999.db2.gz UXTGQVHOGQOPIM-SSDOTTSWSA-N -1 0 301.274 -0.104 20 0 DBADRM C[C@@H](NC(=O)CCCC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC001593015701 1016832692 /nfs/dbraw/zinc/83/26/92/1016832692.db2.gz RZSWAYXUZOACHN-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001417604512 1003896163 /nfs/dbraw/zinc/89/61/63/1003896163.db2.gz VGSFETKHIHXXLJ-JTQLQIEISA-N -1 0 320.305 -0.410 20 0 DBADRM COC(=O)[C@@H](CO)NC(=O)c1nc[n-]c(=O)c1Br ZINC001417603813 1003896373 /nfs/dbraw/zinc/89/63/73/1003896373.db2.gz LQHXHNCXDCQZJP-SCSAIBSYSA-N -1 0 320.099 -0.792 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)c2c[n-]ncc2=O)CC1 ZINC001417611427 1003898591 /nfs/dbraw/zinc/89/85/91/1003898591.db2.gz ZQVAPXTVCDJVNI-UHFFFAOYSA-N -1 0 314.367 -0.274 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC001417612715 1003898784 /nfs/dbraw/zinc/89/87/84/1003898784.db2.gz BBWUKFUQNTXACM-NSHDSACASA-N -1 0 306.370 -0.103 20 0 DBADRM C[C@@H](NC(=O)COC(=O)c1ccnc(C(=O)[O-])c1)C(=O)N(C)C ZINC001593030593 1016833399 /nfs/dbraw/zinc/83/33/99/1016833399.db2.gz LRENVHZMBIUHIR-MRVPVSSYSA-N -1 0 323.305 -0.471 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCCN(CC(F)(F)F)CC1 ZINC001417619297 1003904249 /nfs/dbraw/zinc/90/42/49/1003904249.db2.gz UVEUQWDHPVDGEK-UHFFFAOYSA-N -1 0 321.259 -0.007 20 0 DBADRM C[C@H](NC(=O)COC(=O)c1ccc(C(=O)[O-])o1)C(=O)N(C)C ZINC001593029810 1016833706 /nfs/dbraw/zinc/83/37/06/1016833706.db2.gz FRDOIFSHJUHTET-ZETCQYMHSA-N -1 0 312.278 -0.273 20 0 DBADRM C[C@@H](NC(=O)COC(=O)c1ccc(C(=O)[O-])o1)C(=O)N(C)C ZINC001593029809 1016833903 /nfs/dbraw/zinc/83/39/03/1016833903.db2.gz FRDOIFSHJUHTET-SSDOTTSWSA-N -1 0 312.278 -0.273 20 0 DBADRM C[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1cnn(C)c1 ZINC001593025638 1016834021 /nfs/dbraw/zinc/83/40/21/1016834021.db2.gz GMASJOPNBXTZCD-KOLCDFICSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@@H](NC(=O)Cn1cncn1)[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001593050080 1016834436 /nfs/dbraw/zinc/83/44/36/1016834436.db2.gz JFYZCZJNSUXRQR-RKDXNWHRSA-N -1 0 319.325 -0.228 20 0 DBADRM C[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1nccc(N)n1 ZINC001593025498 1016834556 /nfs/dbraw/zinc/83/45/56/1016834556.db2.gz BSXWHFWXSLODEL-DTWKUNHWSA-N -1 0 321.337 -0.441 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H](C)NC(=O)Cn1cccn1 ZINC001593050183 1016835020 /nfs/dbraw/zinc/83/50/20/1016835020.db2.gz KIPMQZWBOMHICU-ZJUUUORDSA-N -1 0 318.337 -0.202 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001417633461 1003924492 /nfs/dbraw/zinc/92/44/92/1003924492.db2.gz GSQWCCUCMITBFP-RFZPGFLSSA-N -1 0 313.261 -0.961 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC001417634675 1003924539 /nfs/dbraw/zinc/92/45/39/1003924539.db2.gz LTZDYEMECYBFRO-JTQLQIEISA-N -1 0 317.305 -0.389 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001417636471 1003926105 /nfs/dbraw/zinc/92/61/05/1003926105.db2.gz ZVARBBJREDQANT-VHSXEESVSA-N -1 0 308.342 -0.501 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N1CCO[C@H](c3nnn[n-]3)C1)CC2 ZINC001417636314 1003926468 /nfs/dbraw/zinc/92/64/68/1003926468.db2.gz VUJIGYHHMYICQO-UWVGGRQHSA-N -1 0 318.341 -0.738 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001592989547 1016829683 /nfs/dbraw/zinc/82/96/83/1016829683.db2.gz HMNQEVDARYUKBO-IUCAKERBSA-N -1 0 311.342 -0.602 20 0 DBADRM Cc1ncc(CN(C)C[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001439341621 1003935439 /nfs/dbraw/zinc/93/54/39/1003935439.db2.gz BEIBHYIRYRHJED-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM CCN(C(=O)CCCc1nnn[n-]1)[C@@H](C)CS(C)(=O)=O ZINC001417643752 1003936816 /nfs/dbraw/zinc/93/68/16/1003936816.db2.gz FKXAMWDSRXJYTJ-VIFPVBQESA-N -1 0 303.388 -0.196 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001592990676 1016830369 /nfs/dbraw/zinc/83/03/69/1016830369.db2.gz GPRGWIXUKRBOSL-BDAKNGLRSA-N -1 0 313.354 -0.709 20 0 DBADRM CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnn[n-]2)n1 ZINC001417650591 1003943489 /nfs/dbraw/zinc/94/34/89/1003943489.db2.gz OEJCMJYERKWQFE-UHFFFAOYSA-N -1 0 302.703 -0.096 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1nnnn1C1CC1 ZINC001593062871 1016835733 /nfs/dbraw/zinc/83/57/33/1016835733.db2.gz MSYWSQMSGIQTQP-WPRPVWTQSA-N -1 0 324.341 -0.046 20 0 DBADRM C[C@H](NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)c1nncn1C ZINC001593053705 1016835971 /nfs/dbraw/zinc/83/59/71/1016835971.db2.gz LGQJRRKZJISWTH-WCBMZHEXSA-N -1 0 311.342 -0.257 20 0 DBADRM C[C@@H](NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)C(=O)N(C)C ZINC001593055776 1016836311 /nfs/dbraw/zinc/83/63/11/1016836311.db2.gz SQNGLFLRLGSCSE-SCZZXKLOSA-N -1 0 301.343 -0.670 20 0 DBADRM C[C@H](NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)c1nnnn1C1CC1 ZINC001593072587 1016836424 /nfs/dbraw/zinc/83/64/24/1016836424.db2.gz SASLQZJIKCNBDY-WEDXCCLWSA-N -1 0 324.341 -0.048 20 0 DBADRM C[C@@H](NC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1)C(=O)N(C)C ZINC001593064263 1016836951 /nfs/dbraw/zinc/83/69/51/1016836951.db2.gz RFOKBKIGUNSLJJ-BDAKNGLRSA-N -1 0 324.341 -0.591 20 0 DBADRM C[C@@H](NC(=O)Cn1nc(C(=O)[O-])nc1Cl)C(=O)N(C)C ZINC001593051507 1016837195 /nfs/dbraw/zinc/83/71/95/1016837195.db2.gz TYNOPDQXPHELCI-RXMQYKEDSA-N -1 0 303.706 -0.777 20 0 DBADRM C[C@@H](NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)c1nncn1C ZINC001593053704 1016837229 /nfs/dbraw/zinc/83/72/29/1016837229.db2.gz LGQJRRKZJISWTH-SCZZXKLOSA-N -1 0 311.342 -0.257 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001417687777 1003971006 /nfs/dbraw/zinc/97/10/06/1003971006.db2.gz BTISORFAUORNLG-WHUPJOBBSA-N -1 0 301.324 -0.665 20 0 DBADRM C[C@H](O)C[C@@H]1COCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001417707860 1003989911 /nfs/dbraw/zinc/98/99/11/1003989911.db2.gz NAGBSWJHUFQGKD-VHSXEESVSA-N -1 0 306.322 -0.366 20 0 DBADRM C[C@H](O)C[C@H]1COCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001417707859 1003991781 /nfs/dbraw/zinc/99/17/81/1003991781.db2.gz NAGBSWJHUFQGKD-UWVGGRQHSA-N -1 0 306.322 -0.366 20 0 DBADRM CC(=O)C[C@H]1COCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001417711965 1003996136 /nfs/dbraw/zinc/99/61/36/1003996136.db2.gz WJIMKLHEKYYURI-QMMMGPOBSA-N -1 0 300.340 -0.191 20 0 DBADRM C[C@@H](NC(=O)NCCC(=O)NCCC(=O)[O-])c1ccn(C)n1 ZINC001593088538 1016840232 /nfs/dbraw/zinc/84/02/32/1016840232.db2.gz JTIAIKASGSVSPD-SECBINFHSA-N -1 0 311.342 -0.239 20 0 DBADRM O=C(NCCNCc1ccon1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001593089479 1016840640 /nfs/dbraw/zinc/84/06/40/1016840640.db2.gz XXDGWHQWYGIMBE-UHFFFAOYSA-N -1 0 302.298 -0.298 20 0 DBADRM COc1c[nH]c(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)cc1=O ZINC001417719437 1004003586 /nfs/dbraw/zinc/00/35/86/1004003586.db2.gz GZVYPBILSIRLMZ-MRVPVSSYSA-N -1 0 322.350 -0.173 20 0 DBADRM CCOc1nc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)co1 ZINC001417726018 1004007865 /nfs/dbraw/zinc/00/78/65/1004007865.db2.gz RUYNVAIDLROZLL-UHFFFAOYSA-N -1 0 308.298 -0.290 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)[C@H]1CC12CCC2 ZINC001593089929 1016841022 /nfs/dbraw/zinc/84/10/22/1016841022.db2.gz AJHBKQAZCOWWOY-SECBINFHSA-N -1 0 314.353 -0.203 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NC[C@H]1CCSC1 ZINC001593111153 1016844879 /nfs/dbraw/zinc/84/48/79/1016844879.db2.gz KMYKCASWENSLDV-MRVPVSSYSA-N -1 0 323.386 -0.490 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@]1(C)CCOC1 ZINC001417749811 1004021318 /nfs/dbraw/zinc/02/13/18/1004021318.db2.gz XVZJGUCUVLXXQE-QMTHXVAHSA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccc(Cl)nn1 ZINC001593113266 1016845400 /nfs/dbraw/zinc/84/54/00/1016845400.db2.gz ZYAZLWHZMQIZHF-UHFFFAOYSA-N -1 0 320.704 -0.668 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cncc2[nH]ccc21 ZINC001593112328 1016846399 /nfs/dbraw/zinc/84/63/99/1016846399.db2.gz IZDYBORSOFZWKW-UHFFFAOYSA-N -1 0 324.308 -0.236 20 0 DBADRM C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(=O)NCC(F)(F)F ZINC001593141054 1016847312 /nfs/dbraw/zinc/84/73/12/1016847312.db2.gz DAKVRZZTGOWVFH-XVMARJQXSA-N -1 0 312.244 -0.198 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1CCC(F)(F)F ZINC001439579413 1004056477 /nfs/dbraw/zinc/05/64/77/1004056477.db2.gz XCGOYXDJFJPORN-SSDOTTSWSA-N -1 0 323.275 -0.168 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1C[C@]12CCOC2 ZINC001593110009 1016843558 /nfs/dbraw/zinc/84/35/58/1016843558.db2.gz QUNGQQHPTTXYTR-UFBFGSQYSA-N -1 0 304.314 -0.999 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CCC(F)(F)C1 ZINC001593109040 1016843735 /nfs/dbraw/zinc/84/37/35/1016843735.db2.gz GYBRUZYJIPBVPU-UHFFFAOYSA-N -1 0 313.272 -0.491 20 0 DBADRM C[C@H](C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001439646288 1004082399 /nfs/dbraw/zinc/08/23/99/1004082399.db2.gz HLEHUQMPEOWFSO-IUCAKERBSA-N -1 0 322.369 -0.837 20 0 DBADRM C[C@H](NC(=O)c1cncn1C)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593184441 1016851900 /nfs/dbraw/zinc/85/19/00/1016851900.db2.gz CFZWOUGDOOKGPN-IUCAKERBSA-N -1 0 318.337 -0.051 20 0 DBADRM CCN1C[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC001417876191 1004083622 /nfs/dbraw/zinc/08/36/22/1004083622.db2.gz ZXQDVGIAVYUQNA-QMMMGPOBSA-N -1 0 317.305 -0.213 20 0 DBADRM CCCN(CC(N)=O)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001417881315 1004085593 /nfs/dbraw/zinc/08/55/93/1004085593.db2.gz ALYBSPRSBNRXQB-UHFFFAOYSA-N -1 0 319.321 -0.396 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@@H]3COC(=O)C3)cc2=O)n1 ZINC001417886415 1004089322 /nfs/dbraw/zinc/08/93/22/1004089322.db2.gz WIVVBRVFXZAYBF-VIFPVBQESA-N -1 0 317.305 -0.382 20 0 DBADRM C[C@@](NC(=O)c1cn(C(F)(F)CO)nn1)(C(=O)[O-])C1CC1 ZINC001593183377 1016853036 /nfs/dbraw/zinc/85/30/36/1016853036.db2.gz DODQORYGFPAADZ-JTQLQIEISA-N -1 0 304.253 -0.197 20 0 DBADRM C[C@@H]1CN(CCO)CCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001417978451 1004147026 /nfs/dbraw/zinc/14/70/26/1004147026.db2.gz OKQCCGDGBWMGCX-MRVPVSSYSA-N -1 0 301.372 -0.873 20 0 DBADRM O=C(Nc1[nH]ncc1-c1nnn[n-]1)[C@@H]1CCc2n[nH]c(=O)n2C1 ZINC001593197956 1016853267 /nfs/dbraw/zinc/85/32/67/1016853267.db2.gz SOCRBUHFRLVTRF-RXMQYKEDSA-N -1 0 316.285 -0.912 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)c1cccc(-c2nn[nH]n2)c1 ZINC001593172695 1016849456 /nfs/dbraw/zinc/84/94/56/1016849456.db2.gz MSCLYNVWADIECB-UHFFFAOYSA-N -1 0 319.306 -0.292 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001439798677 1004122120 /nfs/dbraw/zinc/12/21/20/1004122120.db2.gz JPQCURIOPDDOGX-VIFPVBQESA-N -1 0 314.363 -0.013 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccc2c(-c3nn[nH]n3)c[nH]c2c1 ZINC001593154600 1016850304 /nfs/dbraw/zinc/85/03/04/1016850304.db2.gz QCWZILYVGDGNDW-UHFFFAOYSA-N -1 0 310.281 -0.209 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cccs1 ZINC001439975736 1004161857 /nfs/dbraw/zinc/16/18/57/1004161857.db2.gz MRBOMXHHLMDMED-ZDUSSCGKSA-N -1 0 323.378 -0.061 20 0 DBADRM C[C@H](C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001439985360 1004172104 /nfs/dbraw/zinc/17/21/04/1004172104.db2.gz WOPGIDACOLHOAL-XPTSAGLGSA-N -1 0 309.370 -0.391 20 0 DBADRM CC[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H](O)C(C)C ZINC001418038095 1004171849 /nfs/dbraw/zinc/17/18/49/1004171849.db2.gz RQZUKQYMTYCYSC-PWSUYJOCSA-N -1 0 307.354 -0.017 20 0 DBADRM CC[C@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C(=O)NC ZINC001418040289 1004175170 /nfs/dbraw/zinc/17/51/70/1004175170.db2.gz MQCVYMZOTPMIHE-JTQLQIEISA-N -1 0 303.326 -0.671 20 0 DBADRM C[C@@H](NC(=O)c1cnn(C)c1)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593185539 1016853794 /nfs/dbraw/zinc/85/37/94/1016853794.db2.gz ZQDNHTKHICYQCU-RKDXNWHRSA-N -1 0 318.337 -0.051 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1cccnc1-c1nn[nH]n1)C2 ZINC001593279137 1016855943 /nfs/dbraw/zinc/85/59/43/1016855943.db2.gz SCHASEHLWVVINR-AMIZOPFISA-N -1 0 302.294 -0.201 20 0 DBADRM O=C([O-])CN1CC[C@H](Oc2cccc(-c3nn[nH]n3)c2)C1=O ZINC001593278414 1016856118 /nfs/dbraw/zinc/85/61/18/1016856118.db2.gz DIRMDXWWXIZAOP-JTQLQIEISA-N -1 0 303.278 -0.069 20 0 DBADRM O=C([O-])CN1CC[C@H](Oc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC001593278510 1016856691 /nfs/dbraw/zinc/85/66/91/1016856691.db2.gz JIUXDNGVOPRBJQ-JTQLQIEISA-N -1 0 303.278 -0.069 20 0 DBADRM O=C(NC1CC(N2CCOCC2)C1)c1c[n-]n2c1nccc2=O ZINC001418164113 1004240890 /nfs/dbraw/zinc/24/08/90/1004240890.db2.gz QWNKWUXIRBWMIW-UHFFFAOYSA-N -1 0 317.349 -0.384 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)NCCF ZINC001593327230 1016860456 /nfs/dbraw/zinc/86/04/56/1016860456.db2.gz YKTXHVCJHFMELI-LURJTMIESA-N -1 0 308.287 -0.270 20 0 DBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001418189262 1004252211 /nfs/dbraw/zinc/25/22/11/1004252211.db2.gz YKSMCMDQSZPERS-VIFPVBQESA-N -1 0 311.342 -0.096 20 0 DBADRM C[C@H](NS(=O)(=O)c1cccnc1C(=O)[O-])c1nncn1C ZINC001593344412 1016863520 /nfs/dbraw/zinc/86/35/20/1016863520.db2.gz CCVGZRREEROJSZ-ZETCQYMHSA-N -1 0 311.323 -0.052 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCS(=O)CC1 ZINC001593335082 1016864270 /nfs/dbraw/zinc/86/42/70/1016864270.db2.gz KTRFDKSLKMTIHI-UHFFFAOYSA-N -1 0 307.335 -0.223 20 0 DBADRM O=C(c1coc(-c2nn[nH]n2)c1)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001593367788 1016865686 /nfs/dbraw/zinc/86/56/86/1016865686.db2.gz PNCMDHFBVAKREM-SCZZXKLOSA-N -1 0 307.310 -0.477 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CC[C@@H](n2cncn2)C1 ZINC001593348620 1016864976 /nfs/dbraw/zinc/86/49/76/1016864976.db2.gz HYRFYGPMOHJKFH-SECBINFHSA-N -1 0 311.309 -0.060 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)c1)N1C[C@H](CO)[C@H](CO)C1 ZINC001593348384 1016864983 /nfs/dbraw/zinc/86/49/83/1016864983.db2.gz VXVHXJDESJJSAN-TXEJJXNPSA-N -1 0 303.322 -0.461 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001593348446 1016866020 /nfs/dbraw/zinc/86/60/20/1016866020.db2.gz YNCMLHHBEJIOKB-VHSXEESVSA-N -1 0 318.337 -0.675 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001593352715 1016866085 /nfs/dbraw/zinc/86/60/85/1016866085.db2.gz GHKYYGIIFOYPCQ-ZCFIWIBFSA-N -1 0 301.324 -0.157 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1C[C@@H]1CCNC(=O)CC1 ZINC001593389895 1016871412 /nfs/dbraw/zinc/87/14/12/1016871412.db2.gz CRHRNVQYJKHVDH-ZETCQYMHSA-N -1 0 305.298 -0.955 20 0 DBADRM O=C(N[C@H](CO)CCF)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001418366074 1004361915 /nfs/dbraw/zinc/36/19/15/1004361915.db2.gz SOPVGVIXPFBRDR-VIFPVBQESA-N -1 0 310.285 -0.284 20 0 DBADRM C[C@@](O)(CNC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O)C(=O)[O-] ZINC001593398764 1016873741 /nfs/dbraw/zinc/87/37/41/1016873741.db2.gz FPDZSFXJBKZBMR-BLLLJJGKSA-N -1 0 320.345 -0.013 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)[C@@H](C)C(=O)NC2CC2)c1[O-] ZINC001418452977 1004401990 /nfs/dbraw/zinc/40/19/90/1004401990.db2.gz MLFCQLVVKPZNPM-VIFPVBQESA-N -1 0 309.370 -0.248 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1cccc(C(=O)[O-])c1=O)C(F)(F)F ZINC001593404687 1016875594 /nfs/dbraw/zinc/87/55/94/1016875594.db2.gz DRNFUDXHDBATGN-LLVKDONJSA-N -1 0 322.239 -0.024 20 0 DBADRM C[C@@](O)(CNC(=O)CN1CCc2ccccc2C1=O)C(=O)[O-] ZINC001593400455 1016876266 /nfs/dbraw/zinc/87/62/66/1016876266.db2.gz FOSBDKYOHFHTCU-OAHLLOKOSA-N -1 0 306.318 -0.363 20 0 DBADRM C[C@](O)(CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C(=O)[O-] ZINC001593411655 1016877192 /nfs/dbraw/zinc/87/71/92/1016877192.db2.gz IJLLAPAFZTWJDO-NSHDSACASA-N -1 0 320.298 -0.962 20 0 DBADRM C[C@](O)(CNC(=O)c1ccn(CCn2cccn2)n1)C(=O)[O-] ZINC001593411699 1016877688 /nfs/dbraw/zinc/87/76/88/1016877688.db2.gz LUXXOJCHZRHYPD-ZDUSSCGKSA-N -1 0 307.310 -0.655 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccc(S(C)(=O)=O)cc1N)C(=O)[O-] ZINC001593411740 1016877775 /nfs/dbraw/zinc/87/77/75/1016877775.db2.gz PIFAGZKCIVWJTL-GFCCVEGCSA-N -1 0 316.335 -0.762 20 0 DBADRM COc1ccc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001418509772 1004443440 /nfs/dbraw/zinc/44/34/40/1004443440.db2.gz IXVVTKYRIXQAKA-UHFFFAOYSA-N -1 0 307.314 -0.829 20 0 DBADRM C[C@H]1C[C@@H](C(=O)NCCN(C)Cc2nn(C)c(=O)[n-]2)CCO1 ZINC001418511750 1004443739 /nfs/dbraw/zinc/44/37/39/1004443739.db2.gz DVUNQGYDUUNNKK-QWRGUYRKSA-N -1 0 311.386 -0.529 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCn3nccc3C2)c1 ZINC001418528965 1004458039 /nfs/dbraw/zinc/45/80/39/1004458039.db2.gz UHQHOJXLPWDESS-UHFFFAOYSA-N -1 0 322.346 -0.108 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC(C)(C(=O)[O-])C1 ZINC001593433097 1016883818 /nfs/dbraw/zinc/88/38/18/1016883818.db2.gz UUHGYSBRCRVQBU-GXSJLCMTSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@](O)(CO)CNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001593416810 1016879706 /nfs/dbraw/zinc/87/97/06/1016879706.db2.gz FYMBXSCYRIEIOH-NSHDSACASA-N -1 0 302.308 -0.756 20 0 DBADRM C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCC(=O)[O-] ZINC001593419450 1016879901 /nfs/dbraw/zinc/87/99/01/1016879901.db2.gz KIJMJBMTOUUPIQ-LLVKDONJSA-N -1 0 322.239 -0.181 20 0 DBADRM C[C@@](O)(CO)CNC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001593421183 1016879946 /nfs/dbraw/zinc/87/99/46/1016879946.db2.gz ZFFWDFHJSCDKNI-HNNXBMFYSA-N -1 0 324.333 -0.498 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)N[C@@H](CCF)C(=O)[O-] ZINC001593420406 1016880017 /nfs/dbraw/zinc/88/00/17/1016880017.db2.gz UOONGKYKYMTPSH-ZANVPECISA-N -1 0 300.286 -0.472 20 0 DBADRM O=C1[C@H]2CCCCN2C(=O)N1CCn1cnc(-c2nnn[n-]2)n1 ZINC001593413230 1016880374 /nfs/dbraw/zinc/88/03/74/1016880374.db2.gz MMABEYMMGDUPET-MRVPVSSYSA-N -1 0 317.313 -0.725 20 0 DBADRM C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001593435145 1016883864 /nfs/dbraw/zinc/88/38/64/1016883864.db2.gz DYBCCOKALNRQLX-ZYGVAYEYSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001593425833 1016881107 /nfs/dbraw/zinc/88/11/07/1016881107.db2.gz NGQKSVITJDVMJS-INTNWOOBSA-N -1 0 312.366 -0.169 20 0 DBADRM C[C@H](O)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001593428245 1016881245 /nfs/dbraw/zinc/88/12/45/1016881245.db2.gz XNPWMDXXBDVXIJ-WWWOOCFRSA-N -1 0 305.352 -0.706 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001593426560 1016881614 /nfs/dbraw/zinc/88/16/14/1016881614.db2.gz SHAHWFFYXJDWOT-WCBMZHEXSA-N -1 0 300.355 -0.121 20 0 DBADRM CCC(=O)NCC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001418588526 1004487931 /nfs/dbraw/zinc/48/79/31/1004487931.db2.gz FOVHNKKPVAENGQ-VIFPVBQESA-N -1 0 310.358 -0.883 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC001593427852 1016882330 /nfs/dbraw/zinc/88/23/30/1016882330.db2.gz ODNLUNCVDIAZSJ-SECBINFHSA-N -1 0 307.306 -0.555 20 0 DBADRM C[C@@](O)(Cn1cnc2c(cnn2CC(=O)[O-])c1=O)C(F)F ZINC001593427897 1016882427 /nfs/dbraw/zinc/88/24/27/1016882427.db2.gz PRBJGOJRRZJOOS-LLVKDONJSA-N -1 0 302.237 -0.306 20 0 DBADRM C[C@H](O)C(C)(C)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001593426825 1016882452 /nfs/dbraw/zinc/88/24/52/1016882452.db2.gz DJRBWTRKPWURJW-VIFPVBQESA-N -1 0 303.359 -0.326 20 0 DBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N(C)c1nnn[n-]1 ZINC001418609895 1004497079 /nfs/dbraw/zinc/49/70/79/1004497079.db2.gz BNCVVIUPXSXIQR-ZETCQYMHSA-N -1 0 322.416 -0.777 20 0 DBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N(C)c1nnn[n-]1 ZINC001418609860 1004498055 /nfs/dbraw/zinc/49/80/55/1004498055.db2.gz BNCVVIUPXSXIQR-SSDOTTSWSA-N -1 0 322.416 -0.777 20 0 DBADRM COC(=O)c1ccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)n1C ZINC001418615303 1004499349 /nfs/dbraw/zinc/49/93/49/1004499349.db2.gz CTOKXFWTXKJSCS-UHFFFAOYSA-N -1 0 306.278 -0.057 20 0 DBADRM O=S(=O)(N[C@H](CCO)C1CC1)c1cccnc1-c1nnn[n-]1 ZINC001593430327 1016882809 /nfs/dbraw/zinc/88/28/09/1016882809.db2.gz PCTMMIVNRQQGTK-SECBINFHSA-N -1 0 324.366 -0.299 20 0 DBADRM O=S(=O)(NC[C@H](O)C1CC1)c1ccsc1-c1nnn[n-]1 ZINC001593435014 1016883933 /nfs/dbraw/zinc/88/39/33/1016883933.db2.gz JKPLALPDCHJWNN-ZETCQYMHSA-N -1 0 315.380 -0.023 20 0 DBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)N(C)c3nnn[n-]3)c2C1 ZINC001418611315 1004500502 /nfs/dbraw/zinc/50/05/02/1004500502.db2.gz DLEIJVJCSIBIKH-SECBINFHSA-N -1 0 318.341 -0.629 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001418618880 1004502998 /nfs/dbraw/zinc/50/29/98/1004502998.db2.gz WTFPLDCLGJRRHX-BDAKNGLRSA-N -1 0 310.358 -0.898 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCC(=O)C1(C(=O)[O-])CC1 ZINC001593431806 1016883091 /nfs/dbraw/zinc/88/30/91/1016883091.db2.gz IGZIEAICWJXXJO-XCBNKYQSSA-N -1 0 313.306 -0.761 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001418625207 1004510587 /nfs/dbraw/zinc/51/05/87/1004510587.db2.gz ZVOQRMKGENORHH-ZJUUUORDSA-N -1 0 324.385 -0.494 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CC(C)(C(=O)[O-])C1 ZINC001593433100 1016884349 /nfs/dbraw/zinc/88/43/49/1016884349.db2.gz UUHGYSBRCRVQBU-ONGXEEELSA-N -1 0 312.366 -0.025 20 0 DBADRM O=S(=O)([N-]c1ncccn1)c1ccc(-c2nn[nH]n2)nc1 ZINC001593447026 1016889745 /nfs/dbraw/zinc/88/97/45/1016889745.db2.gz HXKBKIBHFULDGF-UHFFFAOYSA-N -1 0 304.295 -0.148 20 0 DBADRM O=S(=O)(NC[C@H]1CCCOC1)c1cccnc1-c1nnn[n-]1 ZINC001593434434 1016884478 /nfs/dbraw/zinc/88/44/78/1016884478.db2.gz CEOIIPFNPOQEOW-SECBINFHSA-N -1 0 324.366 -0.033 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001593433241 1016884659 /nfs/dbraw/zinc/88/46/59/1016884659.db2.gz WTPUXJMTBIJSMP-CPCISQLKSA-N -1 0 307.306 -0.006 20 0 DBADRM C[C@H](O)[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001593435923 1016885118 /nfs/dbraw/zinc/88/51/18/1016885118.db2.gz ILSVWBVNJNRQLH-FIQHERPVSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H](O)[C@H]1CCCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001593438565 1016885529 /nfs/dbraw/zinc/88/55/29/1016885529.db2.gz WJIGLJKCEKOBLJ-ZJUUUORDSA-N -1 0 311.342 -0.221 20 0 DBADRM O=S(=O)(NC[C@H]1COCO1)c1ccc(-c2nnn[n-]2)o1 ZINC001593436322 1016886147 /nfs/dbraw/zinc/88/61/47/1016886147.db2.gz UYDKNTYKKXGODG-LURJTMIESA-N -1 0 301.284 -0.889 20 0 DBADRM C[C@H](O)[C@H](O)CNC(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC001593438905 1016886308 /nfs/dbraw/zinc/88/63/08/1016886308.db2.gz WYPWOJLIRFBDHZ-NKWVEPMBSA-N -1 0 318.355 -0.191 20 0 DBADRM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)NCC(C)(C)CC(=O)[O-])C1 ZINC001593437672 1016886545 /nfs/dbraw/zinc/88/65/45/1016886545.db2.gz SOZKGQLDKDJLGR-ZJUUUORDSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](O)[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CCO1 ZINC001593443287 1016887378 /nfs/dbraw/zinc/88/73/78/1016887378.db2.gz YATFXOOFAYINDA-UWVGGRQHSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@@H](O)[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CCO1 ZINC001593443289 1016887560 /nfs/dbraw/zinc/88/75/60/1016887560.db2.gz YATFXOOFAYINDA-ZJUUUORDSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@H](O)[C@H]1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CCO1 ZINC001593440668 1016887681 /nfs/dbraw/zinc/88/76/81/1016887681.db2.gz AHXSKUCGFYHJOK-VHSXEESVSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@@H](O)CN(C(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)C1CC1 ZINC001593447810 1016889847 /nfs/dbraw/zinc/88/98/47/1016889847.db2.gz XXNMMJJAYMZQJP-YWVKMMECSA-N -1 0 314.338 -0.941 20 0 DBADRM O=S(=O)(NCCn1cncn1)c1ccc(-c2nnn[n-]2)o1 ZINC001593443021 1016887953 /nfs/dbraw/zinc/88/79/53/1016887953.db2.gz JQMLYWVZOULWMW-UHFFFAOYSA-N -1 0 310.299 -0.970 20 0 DBADRM C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001593447977 1016889258 /nfs/dbraw/zinc/88/92/58/1016889258.db2.gz OGULXYUEZVTQQF-JGVFFNPUSA-N -1 0 319.339 -0.732 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001593448240 1016889545 /nfs/dbraw/zinc/88/95/45/1016889545.db2.gz QPSGHQWAMCYJPL-YGRLFVJLSA-N -1 0 300.355 -0.071 20 0 DBADRM CC(C)[C@@H](F)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001496327880 1016890503 /nfs/dbraw/zinc/89/05/03/1016890503.db2.gz IRUYFRYMKYBHKZ-SSDOTTSWSA-N -1 0 315.305 -0.535 20 0 DBADRM C[C@@H](O)C[C@H]1COCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC001593448762 1016890377 /nfs/dbraw/zinc/89/03/77/1016890377.db2.gz UJIIPERMUPDNGY-ZJUUUORDSA-N -1 0 310.372 -0.891 20 0 DBADRM Cc1nn(C)c(N2CCC2)c1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001418713251 1004590819 /nfs/dbraw/zinc/59/08/19/1004590819.db2.gz IKUUMLAHYIISRN-UHFFFAOYSA-N -1 0 305.298 -0.213 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1CC=C[C@@H]1CO ZINC001593456575 1016891115 /nfs/dbraw/zinc/89/11/15/1016891115.db2.gz ARTBNGAYIPOROC-MRVPVSSYSA-N -1 0 308.323 -0.817 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H]1CCO ZINC001593454714 1016891833 /nfs/dbraw/zinc/89/18/33/1016891833.db2.gz NNDOSYJMZIXVFQ-QMMMGPOBSA-N -1 0 313.339 -0.005 20 0 DBADRM C[C@H](O)CN(CCO)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001593460668 1016894483 /nfs/dbraw/zinc/89/44/83/1016894483.db2.gz YWNQULZPHZJFLH-VIFPVBQESA-N -1 0 314.342 -0.090 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CCN1CCF ZINC001418798452 1004650519 /nfs/dbraw/zinc/65/05/19/1004650519.db2.gz DBWGRCYPBQJBAH-BDAKNGLRSA-N -1 0 313.333 -0.236 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC001418806856 1004657149 /nfs/dbraw/zinc/65/71/49/1004657149.db2.gz JCNJFHGPMOYAGI-SNVBAGLBSA-N -1 0 323.353 -0.261 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])nn1 ZINC001593476839 1016895970 /nfs/dbraw/zinc/89/59/70/1016895970.db2.gz AVDFOWKCPQBRBF-POYBYMJQSA-N -1 0 304.253 -0.348 20 0 DBADRM C[C@H](O)c1cn(C2CN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)C2)nn1 ZINC001593477620 1016896036 /nfs/dbraw/zinc/89/60/36/1016896036.db2.gz YCXJOITUJFDOCC-XROYCOCOSA-N -1 0 310.310 -0.653 20 0 DBADRM C[C@H](OC(=O)[C@H](CO)NC(=O)c1ccccc1)C(=O)C(=O)[O-] ZINC001593484464 1016897188 /nfs/dbraw/zinc/89/71/88/1016897188.db2.gz JGIFREKCHSWTOR-WPRPVWTQSA-N -1 0 309.274 -0.637 20 0 DBADRM C[C@@H](O)c1ncc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])s1 ZINC001593482098 1016897364 /nfs/dbraw/zinc/89/73/64/1016897364.db2.gz OTAQRHCJRMAFEJ-RQJHMYQMSA-N -1 0 313.335 -0.388 20 0 DBADRM O=c1c(-c2nnn[n-]2)c2c(cn1CN1CCOCC1)CCC2 ZINC001593491875 1016897684 /nfs/dbraw/zinc/89/76/84/1016897684.db2.gz AKEPQDOLOVQLFO-UHFFFAOYSA-N -1 0 302.338 -0.193 20 0 DBADRM C[C@H](OC(=O)[C@@]1(C)CCC(=O)NC1)c1cn(CC(=O)[O-])nn1 ZINC001593491726 1016897703 /nfs/dbraw/zinc/89/77/03/1016897703.db2.gz WGXCDNQJGMEBEU-SDBXPKJASA-N -1 0 310.310 -0.117 20 0 DBADRM C[C@@H](OC(=O)[C@]1(C)CCC(=O)NC1)c1cn(CC(=O)[O-])nn1 ZINC001593491723 1016898122 /nfs/dbraw/zinc/89/81/22/1016898122.db2.gz WGXCDNQJGMEBEU-AMIZOPFISA-N -1 0 310.310 -0.117 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)O[C@@H](C)C(=O)C(=O)[O-] ZINC001593491214 1016898154 /nfs/dbraw/zinc/89/81/54/1016898154.db2.gz LMCQXKPIVSOIKJ-FXQIFTODSA-N -1 0 303.311 -0.517 20 0 DBADRM O=C(c1cnc2n1CCOC2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001418861932 1004691457 /nfs/dbraw/zinc/69/14/57/1004691457.db2.gz BMHVIKSGDFRRBU-SECBINFHSA-N -1 0 305.298 -0.860 20 0 DBADRM O=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001418863788 1004691901 /nfs/dbraw/zinc/69/19/01/1004691901.db2.gz OXWALPZIZJQKOP-SECBINFHSA-N -1 0 317.309 -0.214 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCOC[C@@H]1c1nnn[n-]1)CC2 ZINC001418864391 1004692513 /nfs/dbraw/zinc/69/25/13/1004692513.db2.gz YORIHDKDRYCOEF-LDYMZIIASA-N -1 0 318.341 -0.967 20 0 DBADRM O=C(Cc1cn2c(n1)CCCC2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001418862147 1004692863 /nfs/dbraw/zinc/69/28/63/1004692863.db2.gz CCKNRXCTSMFMKO-NSHDSACASA-N -1 0 317.353 -0.125 20 0 DBADRM O=c1cc(-c2nnn[n-]2)ncn1Cc1nnc2n1CCCCC2 ZINC001593495768 1016900968 /nfs/dbraw/zinc/90/09/68/1016900968.db2.gz UTVWPKRIGOBRTJ-UHFFFAOYSA-N -1 0 313.325 -0.210 20 0 DBADRM C[C@@H]1[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCS1(=O)=O ZINC001418888310 1004701086 /nfs/dbraw/zinc/70/10/86/1004701086.db2.gz YTOVMQGDXDQRRD-HTQZYQBOSA-N -1 0 318.355 -0.839 20 0 DBADRM COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001418897482 1004705131 /nfs/dbraw/zinc/70/51/31/1004705131.db2.gz SECQOZYNRIOOHU-INWYIAFRSA-N -1 0 312.282 -0.925 20 0 DBADRM O=c1cc(-c2nnn[n-]2)ncn1CC[S@@](=O)C(F)(F)F ZINC001593494240 1016899542 /nfs/dbraw/zinc/89/95/42/1016899542.db2.gz PHXONDQYFHXJMG-HXUWFJFHSA-N -1 0 308.245 -0.308 20 0 DBADRM O=c1cc(-c2nnn[n-]2)ncn1Cc1nnnn1-c1ccccc1 ZINC001593495823 1016899715 /nfs/dbraw/zinc/89/97/15/1016899715.db2.gz XIIKPXZUPDEUIT-UHFFFAOYSA-N -1 0 322.292 -0.553 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CCCS1(=O)=O)c1cn(CC(=O)[O-])nn1 ZINC001593499427 1016899875 /nfs/dbraw/zinc/89/98/75/1016899875.db2.gz BATSBXFQYQKHCT-VXNVDRBHSA-N -1 0 317.323 -0.456 20 0 DBADRM C[C@@H](OC(=O)C1(S(N)(=O)=O)CC1)C(=O)C(C)(C)C(=O)[O-] ZINC001593495955 1016901370 /nfs/dbraw/zinc/90/13/70/1016901370.db2.gz CZEGGUMPNJAGDO-ZCFIWIBFSA-N -1 0 307.324 -0.581 20 0 DBADRM O=C(CCc1cccnc1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001418978988 1004746231 /nfs/dbraw/zinc/74/62/31/1004746231.db2.gz JOQWHPWEWJRRGC-UHFFFAOYSA-N -1 0 302.338 -0.162 20 0 DBADRM C[C@@H](C(N)=O)N1CC(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC001419001958 1004756717 /nfs/dbraw/zinc/75/67/17/1004756717.db2.gz AYKABRCXMBZLCZ-LURJTMIESA-N -1 0 324.303 -0.882 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCc1nccn1C(F)F ZINC001419011311 1004761962 /nfs/dbraw/zinc/76/19/62/1004761962.db2.gz VUZTUZMHJTUQSM-UHFFFAOYSA-N -1 0 302.241 -0.360 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)NCC(=O)[O-] ZINC001593513399 1016904639 /nfs/dbraw/zinc/90/46/39/1016904639.db2.gz FBPMHVOJVSACGG-SFYZADRCSA-N -1 0 310.310 -0.948 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)C(=O)[O-] ZINC001593512772 1016905141 /nfs/dbraw/zinc/90/51/41/1016905141.db2.gz BIPLPPGDIGBBHX-RQJHMYQMSA-N -1 0 313.228 -0.165 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001419040988 1004780647 /nfs/dbraw/zinc/78/06/47/1004780647.db2.gz CGENDWKUUTWUKN-VIFPVBQESA-N -1 0 302.342 -0.236 20 0 DBADRM C[C@H](OC(=O)[C@H]1COc2ccccc2O1)C(=O)NCC(=O)[O-] ZINC001593512795 1016905973 /nfs/dbraw/zinc/90/59/73/1016905973.db2.gz BPYULMQWZCRXDX-GZMMTYOYSA-N -1 0 309.274 -0.041 20 0 DBADRM C[C@H](OC(=O)CCCC(=O)[O-])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001593516977 1016906229 /nfs/dbraw/zinc/90/62/29/1016906229.db2.gz VWJDWHWPTYHZPM-VHSXEESVSA-N -1 0 314.338 -0.103 20 0 DBADRM CC(C)OCCN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001419052673 1004786591 /nfs/dbraw/zinc/78/65/91/1004786591.db2.gz UWJWSIQGTNMIIJ-UWVGGRQHSA-N -1 0 323.353 -0.394 20 0 DBADRM COC(=O)c1cc(CNC(=O)CCc2nnn[n-]2)n(C)c1C ZINC001419072866 1004799046 /nfs/dbraw/zinc/79/90/46/1004799046.db2.gz OJRUCWSOGWLGOC-UHFFFAOYSA-N -1 0 306.326 -0.118 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001419078184 1004800911 /nfs/dbraw/zinc/80/09/11/1004800911.db2.gz CKKXMVZCKJIICP-VIFPVBQESA-N -1 0 324.385 -0.555 20 0 DBADRM C[C@@H](OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)C(=O)[O-] ZINC001593528566 1016909852 /nfs/dbraw/zinc/90/98/52/1016909852.db2.gz YIKWQNZRSGWKTE-UANNBLPKSA-N -1 0 312.278 -0.708 20 0 DBADRM O=C(CCc1ncccn1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001419178969 1004827585 /nfs/dbraw/zinc/82/75/85/1004827585.db2.gz FWTZPZYBECXUSQ-JTQLQIEISA-N -1 0 317.353 -0.376 20 0 DBADRM C[C@H](OC(=O)COCc1nncn1C)C(=O)C(C)(C)C(=O)[O-] ZINC001593534292 1016913456 /nfs/dbraw/zinc/91/34/56/1016913456.db2.gz UMYOOSQBLAWZTE-QMMMGPOBSA-N -1 0 313.310 -0.057 20 0 DBADRM CN(C)C(=O)CN1CCCN(C(=O)c2c[n-]ncc2=O)CC1 ZINC001419543391 1004896058 /nfs/dbraw/zinc/89/60/58/1004896058.db2.gz XDSNIIGPJPLEES-UHFFFAOYSA-N -1 0 307.354 -0.582 20 0 DBADRM O=C(Cn1cncn1)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001419557838 1004899497 /nfs/dbraw/zinc/89/94/97/1004899497.db2.gz OMOATWVZYGIIKO-SNVBAGLBSA-N -1 0 320.357 -0.870 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CNC(=O)c2ccccc21)c1nnn[n-]1 ZINC001419560396 1004900727 /nfs/dbraw/zinc/90/07/27/1004900727.db2.gz ZORRRYXFXQPROI-GHMZBOCLSA-N -1 0 316.321 -0.469 20 0 DBADRM C[C@@H](OC(=O)Cc1[nH]nc2c1CCCC2)C(=O)NCC(=O)[O-] ZINC001593537531 1016917918 /nfs/dbraw/zinc/91/79/18/1016917918.db2.gz UTUXAUMUKVCBEU-MRVPVSSYSA-N -1 0 309.322 -0.037 20 0 DBADRM C[C@@H](OC(=O)Cn1c(=O)oc2ccccc21)C(=O)NCC(=O)[O-] ZINC001593541395 1016917992 /nfs/dbraw/zinc/91/79/92/1016917992.db2.gz DQNAWEFSURKJPI-MRVPVSSYSA-N -1 0 322.273 -0.273 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001419589677 1004912507 /nfs/dbraw/zinc/91/25/07/1004912507.db2.gz KDYABYAWUANZSC-GXSJLCMTSA-N -1 0 324.385 -0.494 20 0 DBADRM COc1c[nH]c(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)cc1=O ZINC001419600506 1004915223 /nfs/dbraw/zinc/91/52/23/1004915223.db2.gz XNVNEONLZJDDSH-VIFPVBQESA-N -1 0 318.337 -0.009 20 0 DBADRM CCn1ncnc1CNC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001597969692 1017222820 /nfs/dbraw/zinc/22/28/20/1017222820.db2.gz UBAYUIBTJPABBU-VHSXEESVSA-N -1 0 307.354 -0.243 20 0 DBADRM O=c1cc(CN2CCn3ccnc32)nc2c(-c3nn[nH]n3)c[n-]n21 ZINC001593539020 1016920027 /nfs/dbraw/zinc/92/00/27/1016920027.db2.gz OACBNZQWPYCIFY-UHFFFAOYSA-N -1 0 324.308 -0.168 20 0 DBADRM c1c(Cn2cc(-c3nnn[n-]3)nn2)nnn1C[C@H]1CCOC1 ZINC001593543796 1016920226 /nfs/dbraw/zinc/92/02/26/1016920226.db2.gz ZYAMXMYEXJEKSD-MRVPVSSYSA-N -1 0 302.302 -0.866 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNCc2cn(C)nn2)c1[O-] ZINC001419666072 1004934502 /nfs/dbraw/zinc/93/45/02/1004934502.db2.gz ZQVUFLPVDBHXEA-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@@H](OC(=O)c1c[nH]nc1-c1cnn(C)c1)C(=O)NCC(=O)[O-] ZINC001593552862 1016922831 /nfs/dbraw/zinc/92/28/31/1016922831.db2.gz HIUJDKVVYMMLRK-SSDOTTSWSA-N -1 0 321.293 -0.444 20 0 DBADRM C[C@@H](OC(=O)c1cnc(C(=O)[O-])cn1)C(=O)N1CCNC1=O ZINC001593596973 1016927892 /nfs/dbraw/zinc/92/78/92/1016927892.db2.gz PSBXBDXMAZUZFS-ZCFIWIBFSA-N -1 0 308.250 -0.728 20 0 DBADRM c1cn(-c2cc(NCCn3cnc(-c4nnn[n-]4)n3)ncn2)cn1 ZINC001593582674 1016924236 /nfs/dbraw/zinc/92/42/36/1016924236.db2.gz XESQCMWJPOGNMS-UHFFFAOYSA-N -1 0 324.312 -0.454 20 0 DBADRM C[C@H](OC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)C(=O)[O-] ZINC001593593944 1016929799 /nfs/dbraw/zinc/92/97/99/1016929799.db2.gz UGLIYNDBACRBDX-ZETCQYMHSA-N -1 0 315.303 -0.326 20 0 DBADRM C[C@H](OC(=O)c1cnc2c(c1)NC(=O)CN2C)C(=O)C(=O)[O-] ZINC001593597150 1016930748 /nfs/dbraw/zinc/93/07/48/1016930748.db2.gz UOGFATQRIZEIJZ-LURJTMIESA-N -1 0 307.262 -0.331 20 0 DBADRM CCn1nncc1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001419964444 1005034107 /nfs/dbraw/zinc/03/41/07/1005034107.db2.gz IVVJRIKLVHMFIO-UHFFFAOYSA-N -1 0 308.346 -0.674 20 0 DBADRM COC[C@@H]1COCCN1C(=O)CNC(=O)c1ncccc1O ZINC001419978970 1005038831 /nfs/dbraw/zinc/03/88/31/1005038831.db2.gz XAAGSSRFGNFIKR-SNVBAGLBSA-N -1 0 309.322 -0.609 20 0 DBADRM C[C@H](OCCc1ccccc1)C(=O)NCC(=O)NCC(=O)[O-] ZINC001593608770 1016932617 /nfs/dbraw/zinc/93/26/17/1016932617.db2.gz RPVSXJKFQSCTCR-NSHDSACASA-N -1 0 308.334 -0.049 20 0 DBADRM C[C@H](OC[C@@H]1CCCCO1)C(=O)OCC(=O)NCC(=O)[O-] ZINC001593606125 1016932730 /nfs/dbraw/zinc/93/27/30/1016932730.db2.gz HXZUEMLPCMZFBK-UWVGGRQHSA-N -1 0 303.311 -0.295 20 0 DBADRM C[C@H](OCc1ccncc1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001593611043 1016933297 /nfs/dbraw/zinc/93/32/97/1016933297.db2.gz NZRKWWWXCVQMON-JQWIXIFHSA-N -1 0 321.333 -0.212 20 0 DBADRM C[C@@H](OC[C@@H]1CCCCO1)C(=O)OCC(=O)NCC(=O)[O-] ZINC001593606127 1016933492 /nfs/dbraw/zinc/93/34/92/1016933492.db2.gz HXZUEMLPCMZFBK-ZJUUUORDSA-N -1 0 303.311 -0.295 20 0 DBADRM C[C@@H](OC[C@H]1CCCCO1)C(=O)OCC(=O)NCC(=O)[O-] ZINC001593606124 1016933696 /nfs/dbraw/zinc/93/36/96/1016933696.db2.gz HXZUEMLPCMZFBK-NXEZZACHSA-N -1 0 303.311 -0.295 20 0 DBADRM C[C@]1(Br)C[C@H]1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001593740868 1016934441 /nfs/dbraw/zinc/93/44/41/1016934441.db2.gz WNHOXJPRSRVHQK-CVJICSNFSA-N -1 0 319.155 -0.038 20 0 DBADRM C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NCC(=O)NCC(=O)[O-] ZINC001593705352 1016935112 /nfs/dbraw/zinc/93/51/12/1016935112.db2.gz GNHCTWGRJMIJDC-BONVTDFDSA-N -1 0 308.334 -0.142 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CC23CC(O)C3)c1 ZINC001420091240 1005076764 /nfs/dbraw/zinc/07/67/64/1005076764.db2.gz ILDGAKXOVRLGSB-MXYBJEDBSA-N -1 0 312.347 -0.317 20 0 DBADRM CC1(C)CC(=O)N(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1 ZINC001593843619 1016941791 /nfs/dbraw/zinc/94/17/91/1016941791.db2.gz LDXPAIROLWPTON-JTQLQIEISA-N -1 0 318.395 -0.224 20 0 DBADRM C[C@H](c1nncn1C)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001593738223 1016935855 /nfs/dbraw/zinc/93/58/55/1016935855.db2.gz QUKUATUTSVPOOZ-RKDXNWHRSA-N -1 0 302.356 -0.550 20 0 DBADRM C[C@]1(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)CCCS1(=O)=O ZINC001593748940 1016935872 /nfs/dbraw/zinc/93/58/72/1016935872.db2.gz DQVOIRFDLSVUCM-GBIKHYSHSA-N -1 0 319.379 -0.193 20 0 DBADRM C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NCC(=O)NCC(=O)[O-] ZINC001593705354 1016936152 /nfs/dbraw/zinc/93/61/52/1016936152.db2.gz GNHCTWGRJMIJDC-MEBBXXQBSA-N -1 0 308.334 -0.142 20 0 DBADRM CN(C)CCN(CC(=O)[O-])C(=O)c1coc(S(C)(=O)=O)c1 ZINC001593699232 1016936535 /nfs/dbraw/zinc/93/65/35/1016936535.db2.gz VICZFZCKCLQWAE-UHFFFAOYSA-N -1 0 318.351 -0.229 20 0 DBADRM CN(CCCC(=O)[O-])Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC001593747863 1016936712 /nfs/dbraw/zinc/93/67/12/1016936712.db2.gz WBUATFYPQPRBEP-UHFFFAOYSA-N -1 0 309.326 -0.743 20 0 DBADRM C[C@]1(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCCS1(=O)=O ZINC001593756542 1016937982 /nfs/dbraw/zinc/93/79/82/1016937982.db2.gz WUWFOIYLNJHLDD-KBVBSXBZSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@@]1(C(=O)NCc2nc(C(=O)[O-])co2)CCCS1(=O)=O ZINC001593756429 1016938159 /nfs/dbraw/zinc/93/81/59/1016938159.db2.gz QQLYVBMJSQATNX-NSHDSACASA-N -1 0 302.308 -0.044 20 0 DBADRM C[C@]1(C(=O)NC[C@H](O)CNc2ccnc(C(=O)[O-])n2)C=CCC1 ZINC001593749839 1016938262 /nfs/dbraw/zinc/93/82/62/1016938262.db2.gz TYMWEYBSOADLBQ-BMIGLBTASA-N -1 0 320.349 -0.158 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)C1 ZINC001593784418 1016940054 /nfs/dbraw/zinc/94/00/54/1016940054.db2.gz MLPXVANCQJKRIV-ZETOZRRWSA-N -1 0 320.349 -0.261 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[C@H]2CCO[C@H]21 ZINC001593832831 1016941214 /nfs/dbraw/zinc/94/12/14/1016941214.db2.gz KGJUHBHRCIVKKX-RCZSTQMZSA-N -1 0 310.350 -0.105 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC001593803065 1016941322 /nfs/dbraw/zinc/94/13/22/1016941322.db2.gz YOYWWOPWLBDJKL-CQSZACIVSA-N -1 0 309.322 -0.360 20 0 DBADRM CC1(C)C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001593822359 1016942053 /nfs/dbraw/zinc/94/20/53/1016942053.db2.gz GONGTQDHKYTHJF-UHFFFAOYSA-N -1 0 302.312 -0.993 20 0 DBADRM CC1(C)C[S@](=O)CCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001593960614 1016944629 /nfs/dbraw/zinc/94/46/29/1016944629.db2.gz GQLIDSLIODUUGE-LJQANCHMSA-N -1 0 321.380 -0.361 20 0 DBADRM CC1(CC(=O)N2CC(CCO)(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001593995987 1016946121 /nfs/dbraw/zinc/94/61/21/1016946121.db2.gz CSXNAAMJAISKMQ-MNOVXSKESA-N -1 0 324.377 -0.023 20 0 DBADRM C[C@@]1(CCCC(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)NC(=O)NC1=O ZINC001594000460 1016946329 /nfs/dbraw/zinc/94/63/29/1016946329.db2.gz BIKHRSDXFKOWQE-MJEBZVHXSA-N -1 0 323.349 -0.020 20 0 DBADRM C[C@]1(CCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])CCC(=O)N1 ZINC001593999694 1016946721 /nfs/dbraw/zinc/94/67/21/1016946721.db2.gz QGFBAGCEHMIMPD-YMTOWFKASA-N -1 0 311.338 -0.763 20 0 DBADRM C[C@]1(CC(=O)N2CC3CC2(C(=O)[O-])C3)CCS(=O)(=O)N1 ZINC001593996049 1016947651 /nfs/dbraw/zinc/94/76/51/1016947651.db2.gz FSWOCNPXQQXDOR-BYIYDRLASA-N -1 0 302.352 -0.466 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H](O)CNC(=O)OC(C)(C)C ZINC001593997861 1016947877 /nfs/dbraw/zinc/94/78/77/1016947877.db2.gz HLWOOJZMJPZGBY-VIFPVBQESA-N -1 0 320.342 -0.568 20 0 DBADRM C[C@]1(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCC(=O)N1 ZINC001594027342 1016948661 /nfs/dbraw/zinc/94/86/61/1016948661.db2.gz GLGXCAKYGITOMC-SNVBAGLBSA-N -1 0 302.312 -0.945 20 0 DBADRM CC1(CNC(=O)C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001594013691 1016949772 /nfs/dbraw/zinc/94/97/72/1016949772.db2.gz UAODOKFDHGWPQY-VIFPVBQESA-N -1 0 321.337 -0.334 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCOC1 ZINC001594012073 1016949872 /nfs/dbraw/zinc/94/98/72/1016949872.db2.gz CJQDQMGQTZTXOK-YGRLFVJLSA-N -1 0 314.338 -0.769 20 0 DBADRM C[C@]1(CO)C[C@@H](O)CN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001594032292 1016949924 /nfs/dbraw/zinc/94/99/24/1016949924.db2.gz NWQDTDOCOWTNJX-LHLIQPBNSA-N -1 0 322.364 -0.652 20 0 DBADRM C[C@]1(CNS(=O)(=O)c2cncc(C(=O)[O-])c2)CCC(=O)N1 ZINC001594030072 1016949989 /nfs/dbraw/zinc/94/99/89/1016949989.db2.gz ICOWMUAWMGYXJV-GFCCVEGCSA-N -1 0 313.335 -0.273 20 0 DBADRM C[C@@]1(CCC(=O)[O-])NC(=O)N(C[C@]2(O)CCCOC2)C1=O ZINC001594003322 1016950038 /nfs/dbraw/zinc/95/00/38/1016950038.db2.gz UCNNQUSEUZSDSS-QWHCGFSZSA-N -1 0 300.311 -0.297 20 0 DBADRM C[C@@]1(CO)C[C@H](O)CN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594032001 1016950635 /nfs/dbraw/zinc/95/06/35/1016950635.db2.gz KIYDZDRUTQBBNQ-XPTSAGLGSA-N -1 0 309.322 -0.464 20 0 DBADRM C[C@@]1(CO)C[C@H](O)CN1C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001594033098 1016951961 /nfs/dbraw/zinc/95/19/61/1016951961.db2.gz UTXIYQRYDPPUSO-RTHLEPHNSA-N -1 0 324.337 -0.123 20 0 DBADRM C[C@@]1(CO)C[C@H](O)CN1S(=O)(=O)CCCCCC(=O)[O-] ZINC001594033173 1016953899 /nfs/dbraw/zinc/95/38/99/1016953899.db2.gz VTTBAESTRBHIJC-JQWIXIFHSA-N -1 0 309.384 -0.221 20 0 DBADRM CC1=C(C(=O)N2CC[C@@H](C(=O)[O-])C2)[C@H](C)n2nnnc2N1C ZINC001594090460 1016955581 /nfs/dbraw/zinc/95/55/81/1016955581.db2.gz NIZZKPYQSAGKLS-DTWKUNHWSA-N -1 0 306.326 -0.109 20 0 DBADRM C[C@]12CN(C(=O)c3cc(C(=O)[O-])on3)C[C@@]1(C)C(=O)NC2=O ZINC001594088768 1016955602 /nfs/dbraw/zinc/95/56/02/1016955602.db2.gz SHFJUAXSNPGKHD-BETUJISGSA-N -1 0 307.262 -0.502 20 0 DBADRM C[C@@H](NC(=O)[C@](C)(O)Cn1ccccc1=O)c1nn(C)cc1[O-] ZINC001420438209 1005260429 /nfs/dbraw/zinc/26/04/29/1005260429.db2.gz JQRJAIFCHHHXIH-MEBBXXQBSA-N -1 0 320.349 -0.084 20 0 DBADRM C[C@]12CN(C(=O)c3csc(C(=O)[O-])n3)C[C@@]1(C)C(=O)NC2=O ZINC001594087446 1016954987 /nfs/dbraw/zinc/95/49/87/1016954987.db2.gz GZXCSQUKJNFGTP-BETUJISGSA-N -1 0 323.330 -0.034 20 0 DBADRM CC1=NO[C@@H](C(=O)NC2(CC(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001594119409 1016959155 /nfs/dbraw/zinc/95/91/55/1016959155.db2.gz RQTYFGCYWNHVDD-SECBINFHSA-N -1 0 318.351 -0.311 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC001594130749 1016962801 /nfs/dbraw/zinc/96/28/01/1016962801.db2.gz XJQRYEJHQXUOAK-ZCFIWIBFSA-N -1 0 311.319 -0.268 20 0 DBADRM CC1=C(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)S(=O)(=O)CCO1 ZINC001594091825 1016959488 /nfs/dbraw/zinc/95/94/88/1016959488.db2.gz CSEILSFSJCYJKF-VXNVDRBHSA-N -1 0 303.336 -0.158 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1=O ZINC001594108503 1016959645 /nfs/dbraw/zinc/95/96/45/1016959645.db2.gz OMJKXGKMCQFXMR-IAZYJMLFSA-N -1 0 306.318 -0.129 20 0 DBADRM COc1cccc(C(=O)NCCNC(=O)[C@H](OC)C(=O)[O-])c1 ZINC001594121703 1016959753 /nfs/dbraw/zinc/95/97/53/1016959753.db2.gz FVESUGATKOQBAS-NSHDSACASA-N -1 0 310.306 -0.359 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1=O ZINC001594108573 1016959821 /nfs/dbraw/zinc/95/98/21/1016959821.db2.gz RZLDZLKJGDPGRQ-KCJUWKMLSA-N -1 0 324.333 -0.218 20 0 DBADRM COc1cccc(C[C@H](O)C(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC001594125944 1016960595 /nfs/dbraw/zinc/96/05/95/1016960595.db2.gz AXKCTODVWBXQQS-SWLSCSKDSA-N -1 0 309.318 -0.042 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001594127758 1016960690 /nfs/dbraw/zinc/96/06/90/1016960690.db2.gz CMUBUEHDVXAOGQ-SECBINFHSA-N -1 0 319.317 -0.101 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001594129004 1016960724 /nfs/dbraw/zinc/96/07/24/1016960724.db2.gz APFIFFUYNUFCMH-SSDOTTSWSA-N -1 0 323.280 -0.191 20 0 DBADRM Cc1ccc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001420567272 1005306453 /nfs/dbraw/zinc/30/64/53/1005306453.db2.gz IXYINMLFOTWHHW-VIFPVBQESA-N -1 0 305.342 -0.141 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001594126998 1016961028 /nfs/dbraw/zinc/96/10/28/1016961028.db2.gz UVSUBSFNWFXIDX-HWUMTFDVSA-N -1 0 323.349 -0.752 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001594129706 1016961390 /nfs/dbraw/zinc/96/13/90/1016961390.db2.gz UGASHQHKUGVQFL-ZETCQYMHSA-N -1 0 306.278 -0.635 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001594126707 1016961452 /nfs/dbraw/zinc/96/14/52/1016961452.db2.gz RLQHKOWMCQEFQP-WCBMZHEXSA-N -1 0 311.338 -0.750 20 0 DBADRM C[C@@H]1C(=O)N(C)S(=O)(=O)N1Cc1nc(C(=O)[O-])cs1 ZINC001594128641 1016961830 /nfs/dbraw/zinc/96/18/30/1016961830.db2.gz JSZCNGTZRNMTQK-RXMQYKEDSA-N -1 0 305.337 -0.251 20 0 DBADRM C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001594130724 1016962077 /nfs/dbraw/zinc/96/20/77/1016962077.db2.gz WWZIPFSGYAJSIM-ZETCQYMHSA-N -1 0 301.324 -0.768 20 0 DBADRM COC(=O)C1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC001420604166 1005318890 /nfs/dbraw/zinc/31/88/90/1005318890.db2.gz BNPOBQOWCUJDCK-UHFFFAOYSA-N -1 0 314.319 -0.715 20 0 DBADRM C[C@@H]1C(=O)NCCN1S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001594130277 1016962201 /nfs/dbraw/zinc/96/22/01/1016962201.db2.gz QFUWFLFDTVJYEN-UTLUCORTSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@@]12COC[C@H]1CN(C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C2 ZINC001594087542 1016955780 /nfs/dbraw/zinc/95/57/80/1016955780.db2.gz IHNZNRZTLNAQTF-YYHMBLRTSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@@]1(NS(=O)(=O)[C@@H]2COC[C@H]2O)CCCC[C@H]1C(=O)[O-] ZINC001594062323 1016956224 /nfs/dbraw/zinc/95/62/24/1016956224.db2.gz ZLJYXUUUMIRPHE-BTQIBKBOSA-N -1 0 307.368 -0.301 20 0 DBADRM CCC(=O)NCC(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001420637888 1005327635 /nfs/dbraw/zinc/32/76/35/1005327635.db2.gz YXMBDOSUWBSOAA-UHFFFAOYSA-N -1 0 310.358 -0.883 20 0 DBADRM C[C@]12COC[C@@H]1CN(C(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-])C2 ZINC001594087792 1016956824 /nfs/dbraw/zinc/95/68/24/1016956824.db2.gz MKNLTONFSJEMRZ-RWSFTLGLSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@]1(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)CCOC1=O ZINC001594065994 1016956998 /nfs/dbraw/zinc/95/69/98/1016956998.db2.gz KXEHMHBMLYGMBV-LLVKDONJSA-N -1 0 300.292 -0.236 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001420674234 1005339744 /nfs/dbraw/zinc/33/97/44/1005339744.db2.gz UIOQDTFMCAUYOK-MRVPVSSYSA-N -1 0 310.358 -0.898 20 0 DBADRM CC1=NO[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1 ZINC001594113105 1016958160 /nfs/dbraw/zinc/95/81/60/1016958160.db2.gz DNKAPTQDBWXJQU-BDAKNGLRSA-N -1 0 304.324 -0.749 20 0 DBADRM CC1=NO[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1 ZINC001594113208 1016958453 /nfs/dbraw/zinc/95/84/53/1016958453.db2.gz DNKAPTQDBWXJQU-RKDXNWHRSA-N -1 0 304.324 -0.749 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001594139118 1016963625 /nfs/dbraw/zinc/96/36/25/1016963625.db2.gz ROINDFPYGNUMCX-USZNOCQGSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cccn(C)c1=O ZINC001594139503 1016963741 /nfs/dbraw/zinc/96/37/41/1016963741.db2.gz BLOKVFJNGHVEIF-DTWKUNHWSA-N -1 0 307.306 -0.355 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001594139837 1016964463 /nfs/dbraw/zinc/96/44/63/1016964463.db2.gz WEBZZHSJWZXWBQ-OLPJOPMJSA-N -1 0 322.361 -0.152 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCOCC(F)F ZINC001594138159 1016964896 /nfs/dbraw/zinc/96/48/96/1016964896.db2.gz HZPXQBMSQLDUPO-YUMQZZPRSA-N -1 0 308.281 -0.294 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001594139119 1016965789 /nfs/dbraw/zinc/96/57/89/1016965789.db2.gz ROINDFPYGNUMCX-WYUUTHIRSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC001594137783 1016966075 /nfs/dbraw/zinc/96/60/75/1016966075.db2.gz GBCQDIRIKNEWRC-UTLUCORTSA-N -1 0 311.338 -0.955 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC001594138245 1016966307 /nfs/dbraw/zinc/96/63/07/1016966307.db2.gz IXUAVSAERLYHMD-MXWKQRLJSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1nnc2n1CCOC2 ZINC001594153118 1016967236 /nfs/dbraw/zinc/96/72/36/1016967236.db2.gz KXAILAXOLJHAKS-RKDXNWHRSA-N -1 0 309.326 -0.187 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCCCN1C(=O)CNC1=O ZINC001594149732 1016968120 /nfs/dbraw/zinc/96/81/20/1016968120.db2.gz NFOCLJRPLAATSV-DTWKUNHWSA-N -1 0 312.326 -0.567 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001594145601 1016968476 /nfs/dbraw/zinc/96/84/76/1016968476.db2.gz UBHAOHJBHLBCJS-VDDIYKPWSA-N -1 0 304.368 -0.220 20 0 DBADRM COc1cnc([C@H]2CCCN2C(=O)[C@H](OC)C(=O)[O-])[nH]c1=O ZINC001594152969 1016968987 /nfs/dbraw/zinc/96/89/87/1016968987.db2.gz MIHVTUFGPHMLJC-APPZFPTMSA-N -1 0 311.294 -0.046 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@H](n2cccn2)C1 ZINC001594140496 1016969134 /nfs/dbraw/zinc/96/91/34/1016969134.db2.gz YITFQQZGBZYYJO-WOPDTQHZSA-N -1 0 320.349 -0.022 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001594164521 1016972567 /nfs/dbraw/zinc/97/25/67/1016972567.db2.gz SUAHMHJRRXTXHQ-SCZZXKLOSA-N -1 0 318.351 -0.358 20 0 DBADRM COc1ncccc1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001594159574 1016970331 /nfs/dbraw/zinc/97/03/31/1016970331.db2.gz RQBXOTOVTKSSOW-JTQLQIEISA-N -1 0 323.305 -0.982 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594163265 1016970523 /nfs/dbraw/zinc/97/05/23/1016970523.db2.gz AUZCRGJMBVKYGA-SCZZXKLOSA-N -1 0 318.351 -0.358 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001594163402 1016970819 /nfs/dbraw/zinc/97/08/19/1016970819.db2.gz CBUOHEQSVDPZKA-JTQLQIEISA-N -1 0 319.379 -0.239 20 0 DBADRM COc1nnccc1NC(=O)NCCOCCOCC(=O)[O-] ZINC001594161193 1016970987 /nfs/dbraw/zinc/97/09/87/1016970987.db2.gz MJYAELPWDPZSNI-UHFFFAOYSA-N -1 0 314.298 -0.276 20 0 DBADRM COc1ncc(/C=C/C(=O)Nc2ncn(CC(=O)[O-])n2)cn1 ZINC001594156780 1016971178 /nfs/dbraw/zinc/97/11/78/1016971178.db2.gz GGJIPHOHQONBRQ-NSCUHMNNSA-N -1 0 304.266 -0.187 20 0 DBADRM COc1cncnc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001594155030 1016971707 /nfs/dbraw/zinc/97/17/07/1016971707.db2.gz OMNNHVVCNGRCQI-BDAKNGLRSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1nnc(CN(CCNC(C)=O)[C@@H](C)C(=O)[O-])s1 ZINC001594161363 1016971731 /nfs/dbraw/zinc/97/17/31/1016971731.db2.gz PNZDWRNRGCKILN-ZETCQYMHSA-N -1 0 302.356 -0.042 20 0 DBADRM COc1ncc(Cn2cc(CN(C)CC(=O)[O-])nn2)c(C)n1 ZINC001594160696 1016971765 /nfs/dbraw/zinc/97/17/65/1016971765.db2.gz WZFBLUYYLYEDPA-UHFFFAOYSA-N -1 0 306.326 -0.050 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001594163780 1016972958 /nfs/dbraw/zinc/97/29/58/1016972958.db2.gz KEJSMFPIPNNKJB-QWRGUYRKSA-N -1 0 318.395 -0.366 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001594164436 1016973336 /nfs/dbraw/zinc/97/33/36/1016973336.db2.gz PMJACMFTUVTFEI-MRVPVSSYSA-N -1 0 313.335 -0.176 20 0 DBADRM C[S@](=O)C1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC001594178551 1016978725 /nfs/dbraw/zinc/97/87/25/1016978725.db2.gz LISYLUZNRWOEHE-BTKVJGODSA-N -1 0 316.379 -0.663 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594163803 1016974066 /nfs/dbraw/zinc/97/40/66/1016974066.db2.gz LARZRZBEXXXSSG-SNVBAGLBSA-N -1 0 316.335 -0.088 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)C1 ZINC001594171537 1016978807 /nfs/dbraw/zinc/97/88/07/1016978807.db2.gz PHDXSSKWFOAORT-GWOFURMSSA-N -1 0 319.379 -0.052 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001594167999 1016975404 /nfs/dbraw/zinc/97/54/04/1016975404.db2.gz MUFLOCNYQXFDAS-JOYOIKCWSA-N -1 0 320.367 -0.982 20 0 DBADRM CS(=O)(=O)Cc1n[nH]c(CNC(=O)[C@H](C(=O)[O-])C2CC2)n1 ZINC001594167602 1016975676 /nfs/dbraw/zinc/97/56/76/1016975676.db2.gz ASWOSOIKBQGOQZ-SECBINFHSA-N -1 0 316.339 -0.924 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(C(=O)C2(C(=O)[O-])CCC2)C1 ZINC001594169951 1016976548 /nfs/dbraw/zinc/97/65/48/1016976548.db2.gz FDSAJWWTPUENPG-SECBINFHSA-N -1 0 304.368 -0.361 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC001594168749 1016976878 /nfs/dbraw/zinc/97/68/78/1016976878.db2.gz YORCIGXWKIWUJI-UHFFFAOYSA-N -1 0 318.395 -0.019 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC001594170919 1016977965 /nfs/dbraw/zinc/97/79/65/1016977965.db2.gz XDHVOFGNHWTRCV-SRHKJQAYSA-N -1 0 316.379 -0.006 20 0 DBADRM C[S@@](=O)CCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594177648 1016979559 /nfs/dbraw/zinc/97/95/59/1016979559.db2.gz AIJGKOYTAISSFO-JLTPVHFHSA-N -1 0 319.383 -0.870 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001594177898 1016979758 /nfs/dbraw/zinc/97/97/58/1016979758.db2.gz GCQBYLPPAHPYEL-HXUWFJFHSA-N -1 0 304.368 -0.806 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC001594170726 1016979909 /nfs/dbraw/zinc/97/99/09/1016979909.db2.gz STEWGGCCLVJRMS-WPRPVWTQSA-N -1 0 304.368 -0.505 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1nnnn1CC(=O)N1CCCCC1 ZINC001594172940 1016980015 /nfs/dbraw/zinc/98/00/15/1016980015.db2.gz IWXFYBMCIKDZJB-GHMZBOCLSA-N -1 0 322.369 -0.015 20 0 DBADRM CS(=O)(=O)NC[C@H]1COCCN1C(=O)CCCCC(=O)[O-] ZINC001594171081 1016980181 /nfs/dbraw/zinc/98/01/81/1016980181.db2.gz ZDDWGXXTVKCXRY-JTQLQIEISA-N -1 0 322.383 -0.592 20 0 DBADRM C[S@@](=O)C1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC001594178550 1016980264 /nfs/dbraw/zinc/98/02/64/1016980264.db2.gz LISYLUZNRWOEHE-AOUSDQRYSA-N -1 0 316.379 -0.663 20 0 DBADRM C[S@](=O)[C@@H]1CC[C@@H](NC(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001594178803 1016980987 /nfs/dbraw/zinc/98/09/87/1016980987.db2.gz NZVPPJHFXRDSQL-UWCLWIGYSA-N -1 0 300.340 -0.608 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001594178627 1016981062 /nfs/dbraw/zinc/98/10/62/1016981062.db2.gz MQJURAUWTPDHTC-UHFFFAOYSA-N -1 0 314.385 -0.570 20 0 DBADRM C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)C(=O)[O-] ZINC001594202527 1016985164 /nfs/dbraw/zinc/98/51/64/1016985164.db2.gz HYSHCXXLHUOKGE-SECBINFHSA-N -1 0 315.347 -0.416 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)CN(C)S(C)(=O)=O ZINC001594205765 1016985273 /nfs/dbraw/zinc/98/52/73/1016985273.db2.gz KOHKHSAGEJMATK-ILWJIGKKSA-N -1 0 306.384 -0.022 20 0 DBADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001594179054 1016982477 /nfs/dbraw/zinc/98/24/77/1016982477.db2.gz JTPNRCKBYHPVAN-CVXSDGKDSA-N -1 0 316.379 -0.809 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594179992 1016982536 /nfs/dbraw/zinc/98/25/36/1016982536.db2.gz UUHNLSIGJKOJAR-LKWPHKCZSA-N -1 0 322.364 -0.097 20 0 DBADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)NCCCCC(=O)[O-] ZINC001594179703 1016982599 /nfs/dbraw/zinc/98/25/99/1016982599.db2.gz ONRBTFFQGHRWJU-FDXSBTRWSA-N -1 0 318.395 -0.275 20 0 DBADRM CSc1c(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)cnn1C ZINC001594189181 1016982753 /nfs/dbraw/zinc/98/27/53/1016982753.db2.gz UKORWPZTGSRAQG-MRVPVSSYSA-N -1 0 313.335 -0.016 20 0 DBADRM C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)[O-] ZINC001594208711 1016983797 /nfs/dbraw/zinc/98/37/97/1016983797.db2.gz QDXJQHJXTVJLIP-SECBINFHSA-N -1 0 315.351 -0.013 20 0 DBADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)CN(C)S(C)(=O)=O ZINC001594205767 1016983949 /nfs/dbraw/zinc/98/39/49/1016983949.db2.gz KOHKHSAGEJMATK-RKDXNWHRSA-N -1 0 306.384 -0.022 20 0 DBADRM C[C@H]1C[C@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CCO1 ZINC001594203483 1016984150 /nfs/dbraw/zinc/98/41/50/1016984150.db2.gz MMMDMMOHHYEHOC-MPXOCVNLSA-N -1 0 319.379 -0.194 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001594199261 1016984440 /nfs/dbraw/zinc/98/44/40/1016984440.db2.gz VTQRHMLQMMNTLW-SECBINFHSA-N -1 0 307.306 -0.717 20 0 DBADRM C[C@@H](O)C1CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001594211534 1016984984 /nfs/dbraw/zinc/98/49/84/1016984984.db2.gz MDNUBXZHKDYSNK-PWSUYJOCSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CCO1 ZINC001594201708 1016985459 /nfs/dbraw/zinc/98/54/59/1016985459.db2.gz YZPOVRBCPWGTQM-VWYCJHECSA-N -1 0 319.379 -0.098 20 0 DBADRM CSc1ccncc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001594197975 1016985527 /nfs/dbraw/zinc/98/55/27/1016985527.db2.gz PSLMWTCWUUXCAO-LBPRGKRZSA-N -1 0 313.335 -0.306 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC001594223615 1016986132 /nfs/dbraw/zinc/98/61/32/1016986132.db2.gz IDGUUCBINUOUTJ-LNLATYFQSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N(C)Cc1nnc2n1CCN(C)C2=O ZINC001594222429 1016986276 /nfs/dbraw/zinc/98/62/76/1016986276.db2.gz JKVNPLYJGOJMNP-CLAHSXSESA-N -1 0 321.337 -0.567 20 0 DBADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)CN1CCS(=O)(=O)CC1 ZINC001594212736 1016986586 /nfs/dbraw/zinc/98/65/86/1016986586.db2.gz WBECFVKIJOPNFU-GHMZBOCLSA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001594218390 1016986854 /nfs/dbraw/zinc/98/68/54/1016986854.db2.gz SYQIUPHMTKLGQA-NQMVMOMDSA-N -1 0 323.309 -0.536 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C)C1 ZINC001594224429 1016987286 /nfs/dbraw/zinc/98/72/86/1016987286.db2.gz CQQFNNDACBJMFW-PNZRWIHMSA-N -1 0 301.364 -0.010 20 0 DBADRM C[C@@H]1C[C@H](C)CN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001594221605 1016987541 /nfs/dbraw/zinc/98/75/41/1016987541.db2.gz QVHGMGQSSMXPQD-WHOHXGKFSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CC[C@H](O)CN1C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594220345 1016987602 /nfs/dbraw/zinc/98/76/02/1016987602.db2.gz DPQPZZRJMXXTKP-ZJUUUORDSA-N -1 0 319.379 -0.362 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C[C@H]1CS(N)(=O)=O ZINC001594221787 1016988072 /nfs/dbraw/zinc/98/80/72/1016988072.db2.gz OLWKHHNEVNKDHJ-VDDIYKPWSA-N -1 0 320.367 -0.997 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N(C)Cc1nnc2c(=O)n(C)ccn12 ZINC001594222694 1016988132 /nfs/dbraw/zinc/98/81/32/1016988132.db2.gz NXSKWXLSBPSRDL-CLAHSXSESA-N -1 0 319.321 -0.503 20 0 DBADRM C[C@@H]1CN(CCN(C)C(=O)C(=O)NCCC(=O)[O-])C[C@H](C)O1 ZINC001594246017 1016989084 /nfs/dbraw/zinc/98/90/84/1016989084.db2.gz RRODNTAHMOWBQV-PHIMTYICSA-N -1 0 315.370 -0.855 20 0 DBADRM C[C@@H]1[C@H](O)CCN1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594231718 1016989487 /nfs/dbraw/zinc/98/94/87/1016989487.db2.gz VTPHYPITTQOQOI-OUAUKWLOSA-N -1 0 313.354 -0.383 20 0 DBADRM C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001594244524 1016989888 /nfs/dbraw/zinc/98/98/88/1016989888.db2.gz XBABKQOXBLEWMO-DZUFCKETSA-N -1 0 324.377 -0.167 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C)C(=O)[O-] ZINC001594233195 1016990803 /nfs/dbraw/zinc/99/08/03/1016990803.db2.gz MWPGAXPSNBCHBN-ZETCQYMHSA-N -1 0 321.289 -0.430 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc2c1OCC(=O)N2)C(=O)[O-] ZINC001594233286 1016991195 /nfs/dbraw/zinc/99/11/95/1016991195.db2.gz WOGATEXZLFLZPG-LURJTMIESA-N -1 0 307.262 -0.455 20 0 DBADRM C[C@H](NC(N)=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001594240628 1016991257 /nfs/dbraw/zinc/99/12/57/1016991257.db2.gz DYSIZAFGKRFBJF-LPEHRKFASA-N -1 0 323.353 -0.506 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c2ncnn21 ZINC001594249590 1016993062 /nfs/dbraw/zinc/99/30/62/1016993062.db2.gz OLGSFAXGVITTTA-RBXMUDONSA-N -1 0 307.310 -0.621 20 0 DBADRM C[C@]12CN(C(=O)NCCCC(=O)[O-])C[C@H]1CS(=O)(=O)C2 ZINC001594246925 1016993248 /nfs/dbraw/zinc/99/32/48/1016993248.db2.gz GDWWGAWZOJTRRX-JOYOIKCWSA-N -1 0 304.368 -0.073 20 0 DBADRM CC1CC(NC(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1 ZINC001594250339 1016994054 /nfs/dbraw/zinc/99/40/54/1016994054.db2.gz UJEJHVXIXLGCMD-SFJPCSRHSA-N -1 0 310.350 -0.149 20 0 DBADRM Cc1c(C(=O)N2CCC[C@H]2C(=O)[O-])nnn1-c1cnn(C)c1 ZINC001594256494 1016994283 /nfs/dbraw/zinc/99/42/83/1016994283.db2.gz FQIFUJMLBAFOHZ-JTQLQIEISA-N -1 0 304.310 -0.002 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c2ncnn21 ZINC001594253186 1016994301 /nfs/dbraw/zinc/99/43/01/1016994301.db2.gz NAWNPVMEMYNKSI-KATARQTJSA-N -1 0 309.326 -0.239 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CO1 ZINC001594249341 1016994408 /nfs/dbraw/zinc/99/44/08/1016994408.db2.gz LYWOQKIFVDJNJI-MXWKQRLJSA-N -1 0 310.350 -0.007 20 0 DBADRM CC1CC(NC(=O)C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001594248606 1016994660 /nfs/dbraw/zinc/99/46/60/1016994660.db2.gz FCBCAXXGFGEIRP-CTCYHXBNSA-N -1 0 309.322 -0.267 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)O[C@H]1C(=O)[O-] ZINC001594314930 1017000314 /nfs/dbraw/zinc/00/03/14/1017000314.db2.gz SSSIDZDSRCDGII-ZKKRXERASA-N -1 0 319.379 -0.054 20 0 DBADRM C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001594295843 1017000416 /nfs/dbraw/zinc/00/04/16/1017000416.db2.gz IYDWUGBXIQFSHL-RNFRBKRXSA-N -1 0 316.339 -0.618 20 0 DBADRM C[C@@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cn2C)C(=O)O1 ZINC001594264425 1016995929 /nfs/dbraw/zinc/99/59/29/1016995929.db2.gz QVUISQLOFQMGTG-SVRRBLITSA-N -1 0 302.308 -0.294 20 0 DBADRM Cc1c[nH]c(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)n1 ZINC001594267825 1016996698 /nfs/dbraw/zinc/99/66/98/1016996698.db2.gz LKKGDPUHUUJANY-UHFFFAOYSA-N -1 0 315.351 -0.386 20 0 DBADRM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N(C)CC(=O)[O-] ZINC001594261842 1016996853 /nfs/dbraw/zinc/99/68/53/1016996853.db2.gz ASSKKYKPCBAHRX-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM C[C@@H]1C[C@@H](NS(=O)(=O)c2scnc2C(=O)[O-])C(=O)O1 ZINC001594267114 1016996958 /nfs/dbraw/zinc/99/69/58/1016996958.db2.gz VGCGRSBBHBLXRY-RFZPGFLSSA-N -1 0 306.321 -0.176 20 0 DBADRM Cc1c(NC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)nnn1C ZINC001594266715 1016997357 /nfs/dbraw/zinc/99/73/57/1016997357.db2.gz PIYWAIMRKWXCDR-VIFPVBQESA-N -1 0 324.341 -0.289 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])nnn1C ZINC001594263379 1016997535 /nfs/dbraw/zinc/99/75/35/1016997535.db2.gz PIEQXSIUVHXZHG-VIFPVBQESA-N -1 0 311.342 -0.075 20 0 DBADRM Cc1c(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cnn1C ZINC001594268532 1016997874 /nfs/dbraw/zinc/99/78/74/1016997874.db2.gz DLNJVCZWSAXYCN-CABZTGNLSA-N -1 0 315.351 -0.550 20 0 DBADRM C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001594389653 1017002521 /nfs/dbraw/zinc/00/25/21/1017002521.db2.gz STNXZNJUUHDESL-LKFCYVNXSA-N -1 0 309.322 -0.171 20 0 DBADRM Cc1cccc([C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(=O)[O-])c1 ZINC001594391556 1017002811 /nfs/dbraw/zinc/00/28/11/1017002811.db2.gz GXTIKVXCBGJINP-GHMZBOCLSA-N -1 0 312.347 -0.071 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C[C@H]1CO ZINC001594392547 1017003313 /nfs/dbraw/zinc/00/33/13/1017003313.db2.gz HEVLUXOZBJDYQW-XMQPUEPBSA-N -1 0 324.377 -0.167 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)[C@H]1CO ZINC001594392270 1017003725 /nfs/dbraw/zinc/00/37/25/1017003725.db2.gz DJALMBSDQBECAO-QCNOEVLYSA-N -1 0 312.366 -0.215 20 0 DBADRM CN(C(=O)[C@@H](O)c1cnn(C)c1)[C@H](COC1CCC1)C(=O)[O-] ZINC001597991730 1017225097 /nfs/dbraw/zinc/22/50/97/1017225097.db2.gz UWQFNNMSWGUDHL-NEPJUHHUSA-N -1 0 311.338 -0.066 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)C[C@H]1F ZINC001594394067 1017006423 /nfs/dbraw/zinc/00/64/23/1017006423.db2.gz SHAGNVTYYKMDIV-GMTAPVOTSA-N -1 0 316.329 -0.105 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)[C@H](C(N)=O)C1 ZINC001594402152 1017006249 /nfs/dbraw/zinc/00/62/49/1017006249.db2.gz QKQDYMZUMPHINO-KOLCDFICSA-N -1 0 321.333 -0.341 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C[C@@H]1F ZINC001594394070 1017007447 /nfs/dbraw/zinc/00/74/47/1017007447.db2.gz SHAGNVTYYKMDIV-VWYCJHECSA-N -1 0 316.329 -0.105 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C[C@H]1F ZINC001594394069 1017007717 /nfs/dbraw/zinc/00/77/17/1017007717.db2.gz SHAGNVTYYKMDIV-OUAUKWLOSA-N -1 0 316.329 -0.105 20 0 DBADRM C[C@H]1CCN(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1=O ZINC001594423537 1017008298 /nfs/dbraw/zinc/00/82/98/1017008298.db2.gz YMXQDNCFQNELRI-UWVGGRQHSA-N -1 0 304.368 -0.614 20 0 DBADRM Cc1ccnc(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)c1 ZINC001594424084 1017008654 /nfs/dbraw/zinc/00/86/54/1017008654.db2.gz BZCAPUBLQAMZLN-UHFFFAOYSA-N -1 0 317.305 -0.074 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@H](C)CC(=O)[O-] ZINC001594429941 1017010782 /nfs/dbraw/zinc/01/07/82/1017010782.db2.gz JDPVCKJTFDBIQG-SSDOTTSWSA-N -1 0 301.324 -0.218 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001594439643 1017011878 /nfs/dbraw/zinc/01/18/78/1017011878.db2.gz VGKYETVYCGZDFN-MUWHJKNJSA-N -1 0 302.308 -0.219 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001594438919 1017012188 /nfs/dbraw/zinc/01/21/88/1017012188.db2.gz JDIQPXSGOAWGOA-XCBNKYQSSA-N -1 0 313.335 -0.417 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)nn1C ZINC001594456998 1017017084 /nfs/dbraw/zinc/01/70/84/1017017084.db2.gz TWLRCQKIFMMGJI-APPZFPTMSA-N -1 0 309.326 -0.369 20 0 DBADRM Cc1nc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])sc1C ZINC001594456869 1017018927 /nfs/dbraw/zinc/01/89/27/1017018927.db2.gz QTQMXUZDOLFALF-LLVKDONJSA-N -1 0 301.324 -0.350 20 0 DBADRM CC[C@@H](OC)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001440246870 1006023210 /nfs/dbraw/zinc/02/32/10/1006023210.db2.gz KDYSKRASCAYWPW-VHSXEESVSA-N -1 0 313.358 -0.748 20 0 DBADRM Cc1nc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)nn1-c1nc[nH]n1 ZINC001594445136 1017013446 /nfs/dbraw/zinc/01/34/46/1017013446.db2.gz NDDLSDZNCRHUFM-ZCFIWIBFSA-N -1 0 305.298 -0.228 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(CO)C2)C[C@H]1C(=O)[O-] ZINC001594455742 1017013919 /nfs/dbraw/zinc/01/39/19/1017013919.db2.gz WCVNQRJSKDKQRJ-CZFOOCMKSA-N -1 0 312.366 -0.358 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCSC[C@@H](C(=O)[O-])C2)CCO1 ZINC001594455473 1017014041 /nfs/dbraw/zinc/01/40/41/1017014041.db2.gz UHFCRPIFTMYCAZ-ZJUUUORDSA-N -1 0 316.379 -0.490 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC(C)(C)O1 ZINC001594453760 1017014164 /nfs/dbraw/zinc/01/41/64/1017014164.db2.gz JHPCVCCVQGXVOO-UWVGGRQHSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC(=O)N1 ZINC001594455409 1017014475 /nfs/dbraw/zinc/01/44/75/1017014475.db2.gz SUBMRFSRJKXOSS-ZJUUUORDSA-N -1 0 323.349 -0.953 20 0 DBADRM Cc1nc(CS(C)(=O)=O)sc1CC(=O)NCC(=O)[O-] ZINC001594452988 1017015206 /nfs/dbraw/zinc/01/52/06/1017015206.db2.gz FQOFPXZQOOYUKI-UHFFFAOYSA-N -1 0 306.365 -0.261 20 0 DBADRM CC[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001428816265 1006062925 /nfs/dbraw/zinc/06/29/25/1006062925.db2.gz WNEPGSXORJMZLH-DJLDLDEBSA-N -1 0 314.317 -0.527 20 0 DBADRM Cc1nc(NC(=O)NCCOCCOCC(=O)[O-])nn1C ZINC001594457199 1017019252 /nfs/dbraw/zinc/01/92/52/1017019252.db2.gz XAZNXSQWCHVIHC-UHFFFAOYSA-N -1 0 301.303 -0.637 20 0 DBADRM Cc1nc(S(=O)(=O)CCS(=O)(=O)CC(=O)[O-])[nH]c1C ZINC001594460296 1017019912 /nfs/dbraw/zinc/01/99/12/1017019912.db2.gz DEUDTCCONFKVRU-UHFFFAOYSA-N -1 0 310.353 -0.700 20 0 DBADRM C[C@H]1CN(C(=O)CC2C(=O)N=CNC2=O)CCN1CCC(=O)[O-] ZINC001594467206 1017021156 /nfs/dbraw/zinc/02/11/56/1017021156.db2.gz AHOXUJWJNMJGQB-VIFPVBQESA-N -1 0 324.337 -0.562 20 0 DBADRM Cc1nc[nH]c(=O)c1CCC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001594467854 1017021490 /nfs/dbraw/zinc/02/14/90/1017021490.db2.gz IRVUOHUAXYMABN-MEBBXXQBSA-N -1 0 321.333 -0.017 20 0 DBADRM C[C@@H]1CN(C(=O)CN[C@@H](C(=O)[O-])c2ccnn2C)C[C@@H](C)O1 ZINC001594467735 1017021595 /nfs/dbraw/zinc/02/15/95/1017021595.db2.gz JIZCFJIOQKAILW-GIPNMCIBSA-N -1 0 310.354 -0.229 20 0 DBADRM C[C@@H]1CN(C(=O)CC2C(=O)N=CNC2=O)CCN1CCC(=O)[O-] ZINC001594467205 1017021973 /nfs/dbraw/zinc/02/19/73/1017021973.db2.gz AHOXUJWJNMJGQB-SECBINFHSA-N -1 0 324.337 -0.562 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)C(=O)NCCCCC(=O)[O-])C2 ZINC001594465729 1017022852 /nfs/dbraw/zinc/02/28/52/1017022852.db2.gz NLCPZCZCKSRICQ-UHFFFAOYSA-N -1 0 309.326 -0.700 20 0 DBADRM Cc1nccc(N2CCN([C@@H]3CCN(CC(=O)[O-])C3=O)CC2)n1 ZINC001594471447 1017024218 /nfs/dbraw/zinc/02/42/18/1017024218.db2.gz ZXCDMNJLQHABNQ-GFCCVEGCSA-N -1 0 319.365 -0.407 20 0 DBADRM C[C@@H]1CN(C(=O)NCCn2cc(C(=O)[O-])nn2)C[C@@H](C)C1O ZINC001594473858 1017024703 /nfs/dbraw/zinc/02/47/03/1017024703.db2.gz RDXRLTGRQUZTBW-RKDXNWHRSA-N -1 0 311.342 -0.365 20 0 DBADRM Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001594482508 1017024856 /nfs/dbraw/zinc/02/48/56/1017024856.db2.gz YRBMTCPXZUUNJZ-JTQLQIEISA-N -1 0 308.338 -0.414 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](O)CNC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001594480615 1017024943 /nfs/dbraw/zinc/02/49/43/1017024943.db2.gz RUPUKBZBRPTIRD-QMTHXVAHSA-N -1 0 311.338 -0.180 20 0 DBADRM C[C@@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])CC[C@H]1O ZINC001594472894 1017025475 /nfs/dbraw/zinc/02/54/75/1017025475.db2.gz DWRSLERJSKGNGI-NXEZZACHSA-N -1 0 301.343 -0.620 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cnc(C(=O)[O-])cc2=O)CC(C)(C)O1 ZINC001594471487 1017026645 /nfs/dbraw/zinc/02/66/45/1017026645.db2.gz XHQJZZPRIOIOCG-VIFPVBQESA-N -1 0 309.322 -0.033 20 0 DBADRM Cc1nn(C)cc1CC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594484513 1017026900 /nfs/dbraw/zinc/02/69/00/1017026900.db2.gz PVDMZEVIFVPXLE-GFCCVEGCSA-N -1 0 322.365 -0.147 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)C[C@H](C)S1(=O)=O ZINC001594489234 1017027956 /nfs/dbraw/zinc/02/79/56/1017027956.db2.gz OPIVLYIJDWLXBE-YUMQZZPRSA-N -1 0 315.351 -0.234 20 0 DBADRM Cc1nnc(Cn2nnc(C(=O)N(C)CCC(=O)[O-])c2C)o1 ZINC001594492845 1017027997 /nfs/dbraw/zinc/02/79/97/1017027997.db2.gz NKCPAWJPSLCBMJ-UHFFFAOYSA-N -1 0 308.298 -0.127 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@@H](C)NC(=O)c2cnnn2C)c1[O-] ZINC001429011533 1006175897 /nfs/dbraw/zinc/17/58/97/1006175897.db2.gz MNMQJIGXQYGNPU-SSDOTTSWSA-N -1 0 321.341 -0.509 20 0 DBADRM Cc1noc(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)n1 ZINC001594495184 1017028556 /nfs/dbraw/zinc/02/85/56/1017028556.db2.gz GCHJYHATVCNFJP-VIFPVBQESA-N -1 0 322.321 -0.084 20 0 DBADRM Cc1nn2cccnc2c1C(=O)NCCOCCOCC(=O)[O-] ZINC001594490113 1017028611 /nfs/dbraw/zinc/02/86/11/1017028611.db2.gz XDTYTSDRJUHQCY-UHFFFAOYSA-N -1 0 322.321 -0.115 20 0 DBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1C ZINC001594493185 1017029533 /nfs/dbraw/zinc/02/95/33/1017029533.db2.gz SRIITXGXBUNROI-SECBINFHSA-N -1 0 322.321 -0.652 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CC(C(=O)[O-])C1 ZINC001594498798 1017031406 /nfs/dbraw/zinc/03/14/06/1017031406.db2.gz JZALSLFGYGERHK-UHFFFAOYSA-N -1 0 317.323 -0.887 20 0 DBADRM Cc1noc([C@@H](C)NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC001594496034 1017031077 /nfs/dbraw/zinc/03/10/77/1017031077.db2.gz QUFKUKHRADBCJT-FUXBKTLASA-N -1 0 310.310 -0.122 20 0 DBADRM C[C@H]1CN(CC(C)(C)O)CCN1S(=O)(=O)CCCC(=O)[O-] ZINC001594506012 1017031708 /nfs/dbraw/zinc/03/17/08/1017031708.db2.gz HNWXPXLCXJUPGE-NSHDSACASA-N -1 0 322.427 -0.042 20 0 DBADRM C[C@@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])n2)CCN1CCO ZINC001594505202 1017032009 /nfs/dbraw/zinc/03/20/09/1017032009.db2.gz AUAFROKRPPHFQY-LLVKDONJSA-N -1 0 322.365 -0.283 20 0 DBADRM CC[C@H](C)C(=O)N[C@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001429088413 1006222872 /nfs/dbraw/zinc/22/28/72/1006222872.db2.gz VSJOVVUXHJIHHH-DTWKUNHWSA-N -1 0 313.358 -0.254 20 0 DBADRM C[C@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1CC12CC2 ZINC001429086635 1006223019 /nfs/dbraw/zinc/22/30/19/1006223019.db2.gz PBDSERUVQNLBPK-BDAKNGLRSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001429104018 1006228406 /nfs/dbraw/zinc/22/84/06/1006228406.db2.gz QCDZOEBPZGXQGJ-QEYWKRMJSA-N -1 0 323.353 -0.644 20 0 DBADRM CN(Cc1ccc(C(N)=O)cc1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001440613100 1006231491 /nfs/dbraw/zinc/23/14/91/1006231491.db2.gz PPAXLEMAGGGYEC-UHFFFAOYSA-N -1 0 305.294 -0.553 20 0 DBADRM C[C@@H]1CN(CC(=O)NCCC(=O)[O-])C[C@@]2(CCCOC2)O1 ZINC001594508694 1017034615 /nfs/dbraw/zinc/03/46/15/1017034615.db2.gz YOSJDUVDLOMDSO-BXUZGUMPSA-N -1 0 300.355 -0.153 20 0 DBADRM CC1CC(C(=O)NC2(CO)CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001440693415 1006260872 /nfs/dbraw/zinc/26/08/72/1006260872.db2.gz VEDITWZKLMKCDZ-UHFFFAOYSA-N -1 0 323.397 -0.001 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001594512952 1017036258 /nfs/dbraw/zinc/03/62/58/1017036258.db2.gz CKGMSHYFBNUROV-FVCCEPFGSA-N -1 0 323.393 -0.092 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)Nc1cnn(C)c1 ZINC001594512969 1017037394 /nfs/dbraw/zinc/03/73/94/1017037394.db2.gz CUWQCNVMQBICSM-SNVBAGLBSA-N -1 0 323.353 -0.634 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)Cc2cncn2C)c1[O-] ZINC001429221808 1006293525 /nfs/dbraw/zinc/29/35/25/1006293525.db2.gz YTADDUYUESMTEG-UHFFFAOYSA-N -1 0 320.353 -0.412 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(S(C)(=O)=O)CC1 ZINC001594514295 1017038714 /nfs/dbraw/zinc/03/87/14/1017038714.db2.gz WRGLOXGAMOUODZ-SNVBAGLBSA-N -1 0 318.395 -0.429 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@H]2CCCC(=O)N2)c1[O-] ZINC001429221893 1006293895 /nfs/dbraw/zinc/29/38/95/1006293895.db2.gz ZCNNCGBTZPOVFQ-SECBINFHSA-N -1 0 323.353 -0.719 20 0 DBADRM COC[C@@H](OC)C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001429221090 1006294080 /nfs/dbraw/zinc/29/40/80/1006294080.db2.gz XJLDSOZHTAZRJS-SECBINFHSA-N -1 0 314.342 -0.727 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCCS1(=O)=O ZINC001594515735 1017039254 /nfs/dbraw/zinc/03/92/54/1017039254.db2.gz QMHOCOGNOCXNRV-GHMZBOCLSA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@@H]1CN(CCc2cn(CC(=O)[O-])nn2)CC[S@@](=O)C1 ZINC001594531952 1017043826 /nfs/dbraw/zinc/04/38/26/1017043826.db2.gz QWYNISVVRZRZHT-CFMSYZGJSA-N -1 0 300.384 -0.394 20 0 DBADRM C[C@@H]1CN(CCO)CCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001594532619 1017041544 /nfs/dbraw/zinc/04/15/44/1017041544.db2.gz ZHUCCBJQKJZEFH-LLVKDONJSA-N -1 0 323.349 -0.929 20 0 DBADRM C[C@H]1CN(CCO)CCN1C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001594530742 1017042147 /nfs/dbraw/zinc/04/21/47/1017042147.db2.gz CIQXJFDFLPMOMB-RWMBFGLXSA-N -1 0 314.382 -0.076 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C[C@H]1CCS(=O)(=O)C1 ZINC001594521915 1017042199 /nfs/dbraw/zinc/04/21/99/1017042199.db2.gz LLGWDROHDUTLFE-VXGBXAGGSA-N -1 0 304.412 -0.098 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)C[C@@H]1CCOC1 ZINC001594524694 1017042672 /nfs/dbraw/zinc/04/26/72/1017042672.db2.gz CFLGLKAGZFZQJB-NWDGAFQWSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@@H]1CN(CCNS(=O)(=O)CC2(C(=O)[O-])CC2)CCO1 ZINC001594532117 1017042710 /nfs/dbraw/zinc/04/27/10/1017042710.db2.gz UDCDZLPINISBKE-SNVBAGLBSA-N -1 0 306.384 -0.509 20 0 DBADRM C[C@H](CNC(=O)[C@H](C)n1cccn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440897700 1006343663 /nfs/dbraw/zinc/34/36/63/1006343663.db2.gz CUENUSBTIOASCL-ZJUUUORDSA-N -1 0 307.358 -0.096 20 0 DBADRM C[C@H](CNC(=O)CCn1ccnn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440909402 1006352109 /nfs/dbraw/zinc/35/21/09/1006352109.db2.gz OYIOSFKLNAMSMC-SECBINFHSA-N -1 0 308.346 -0.871 20 0 DBADRM C[C@@H](CNC(=O)CCn1ccnn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440909408 1006352150 /nfs/dbraw/zinc/35/21/50/1006352150.db2.gz OYIOSFKLNAMSMC-VIFPVBQESA-N -1 0 308.346 -0.871 20 0 DBADRM COC(=O)CCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001440918359 1006364180 /nfs/dbraw/zinc/36/41/80/1006364180.db2.gz DMJTXQFIWNGNLL-UHFFFAOYSA-N -1 0 306.278 -0.441 20 0 DBADRM CC(C)[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429397361 1006386399 /nfs/dbraw/zinc/38/63/99/1006386399.db2.gz XAOOYORPXJOZIN-DTWKUNHWSA-N -1 0 323.353 -0.237 20 0 DBADRM CC(C)[C@@H]1C[C@@H]1C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429397365 1006386896 /nfs/dbraw/zinc/38/68/96/1006386896.db2.gz XAOOYORPXJOZIN-IUCAKERBSA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@@H](C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001429396371 1006387047 /nfs/dbraw/zinc/38/70/47/1006387047.db2.gz POFBVHQRSKGMBR-SSDOTTSWSA-N -1 0 309.326 -0.483 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C[C@]1(C)CO ZINC001594553625 1017047031 /nfs/dbraw/zinc/04/70/31/1017047031.db2.gz DQXDYBIEGLWMPD-RDDDGLTNSA-N -1 0 303.340 -0.253 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])CC[S@@](=O)C1 ZINC001594555086 1017047178 /nfs/dbraw/zinc/04/71/78/1017047178.db2.gz ISRNDMAPBMLNHW-NIVTXAMTSA-N -1 0 312.413 -0.662 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC(=O)N1C ZINC001594550514 1017047597 /nfs/dbraw/zinc/04/75/97/1017047597.db2.gz MRUJFKRAFOVZNJ-SECBINFHSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@H]1CN(S(=O)(=O)[C@H]2CCOC[C@@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001594604498 1017049181 /nfs/dbraw/zinc/04/91/81/1017049181.db2.gz QHPWKLJJUIQWGB-NAKRPEOUSA-N -1 0 307.368 -0.085 20 0 DBADRM C[C@@H]1CO[C@@H](C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001594587574 1017049273 /nfs/dbraw/zinc/04/92/73/1017049273.db2.gz PKUPBNKLLNBGDU-DTWKUNHWSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@@H]1COCCN1CCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594607004 1017049324 /nfs/dbraw/zinc/04/93/24/1017049324.db2.gz BCKWEECNDNWYKZ-MXWKQRLJSA-N -1 0 306.384 -0.510 20 0 DBADRM C[C@@H]1COCC[C@H]1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001594597285 1017049524 /nfs/dbraw/zinc/04/95/24/1017049524.db2.gz QFGQBENTLPDXOG-NXEZZACHSA-N -1 0 308.338 -0.203 20 0 DBADRM C[C@@H]1COCC[C@@H]1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001594604180 1017049566 /nfs/dbraw/zinc/04/95/66/1017049566.db2.gz OGHSMYDJJSIENT-NEPJUHHUSA-N -1 0 320.411 -0.167 20 0 DBADRM Cn1ccc(C(=O)NC2(CCO)CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001441029994 1006430643 /nfs/dbraw/zinc/43/06/43/1006430643.db2.gz QUXARYSRQJMFJE-UHFFFAOYSA-N -1 0 320.353 -0.784 20 0 DBADRM C[C@@H](CNC(=O)CCN1CCCC1=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001441031457 1006434844 /nfs/dbraw/zinc/43/48/44/1006434844.db2.gz XRJGNBXHNDWNKY-JTQLQIEISA-N -1 0 324.385 -0.541 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001594648660 1017055955 /nfs/dbraw/zinc/05/59/55/1017055955.db2.gz LTWLJZCDYOMRBN-GUBZILKMSA-N -1 0 323.367 -0.311 20 0 DBADRM C[C@H]1COCC[C@H]1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001594597289 1017050788 /nfs/dbraw/zinc/05/07/88/1017050788.db2.gz QFGQBENTLPDXOG-VHSXEESVSA-N -1 0 308.338 -0.203 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@@H](C)C2)C[C@@H](C(=O)[O-])O1 ZINC001594606924 1017050979 /nfs/dbraw/zinc/05/09/79/1017050979.db2.gz ILJNLRNAXXTFHH-AXFHLTTASA-N -1 0 314.338 -0.818 20 0 DBADRM C[C@H]1COCCN1CCNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001594608305 1017051716 /nfs/dbraw/zinc/05/17/16/1017051716.db2.gz XEGAEOLHQDGBJR-NSHDSACASA-N -1 0 320.411 -0.119 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594629210 1017051806 /nfs/dbraw/zinc/05/18/06/1017051806.db2.gz GAGOOTREFPBQAK-LYFYHCNISA-N -1 0 317.323 -0.341 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001594632920 1017052646 /nfs/dbraw/zinc/05/26/46/1017052646.db2.gz RIUNVSJLEXJEJL-QXFUBDJGSA-N -1 0 323.309 -0.363 20 0 DBADRM C[C@H]1Cn2nc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)cc2CN1 ZINC001594625657 1017053313 /nfs/dbraw/zinc/05/33/13/1017053313.db2.gz IUXZZERVNXTXMX-ONGXEEELSA-N -1 0 308.338 -0.310 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001594610528 1017053370 /nfs/dbraw/zinc/05/33/70/1017053370.db2.gz QJBUYFDZSQHPHQ-QMMMGPOBSA-N -1 0 311.381 -0.558 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O ZINC001594674875 1017058611 /nfs/dbraw/zinc/05/86/11/1017058611.db2.gz WNNQLBIRPJLSPU-DEUMZCRWSA-N -1 0 306.322 -0.193 20 0 DBADRM O=C(Nc1ccc(N2CCNC(=O)C2)nc1)c1c[n-]ncc1=O ZINC001441246720 1006538525 /nfs/dbraw/zinc/53/85/25/1006538525.db2.gz PGNAVVYAOKRVGP-UHFFFAOYSA-N -1 0 314.305 -0.234 20 0 DBADRM CCC(=O)NCC(=O)N(C)[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001594708393 1017060851 /nfs/dbraw/zinc/06/08/51/1017060851.db2.gz UZQPISVPTZPGKG-SECBINFHSA-N -1 0 323.353 -0.040 20 0 DBADRM CCC(=O)NCC(=O)NC[C@H](CC)Nc1ccnc(C(=O)[O-])n1 ZINC001594708299 1017061319 /nfs/dbraw/zinc/06/13/19/1017061319.db2.gz SCMGALKPQDLWQC-VIFPVBQESA-N -1 0 323.353 -0.570 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001594756646 1017063330 /nfs/dbraw/zinc/06/33/30/1017063330.db2.gz VDNYEVDLWKRMES-JTQLQIEISA-N -1 0 307.368 -0.193 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)OCc1nc(CS(C)(=O)=O)no1 ZINC001594763876 1017062569 /nfs/dbraw/zinc/06/25/69/1017062569.db2.gz HAEONFSFGUYPFP-LURJTMIESA-N -1 0 306.296 -0.232 20 0 DBADRM CCCC(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001429808785 1006570865 /nfs/dbraw/zinc/57/08/65/1006570865.db2.gz ALUUNESAODGOIN-VIFPVBQESA-N -1 0 308.338 -0.383 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001594853499 1017067951 /nfs/dbraw/zinc/06/79/51/1017067951.db2.gz YTPXUQYQTZLWBD-JOYOIKCWSA-N -1 0 304.368 -0.078 20 0 DBADRM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001594868577 1017067974 /nfs/dbraw/zinc/06/79/74/1017067974.db2.gz YFHXRUYVLQHWNY-JLIMGVALSA-N -1 0 318.395 -0.116 20 0 DBADRM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001594868579 1017068084 /nfs/dbraw/zinc/06/80/84/1017068084.db2.gz YFHXRUYVLQHWNY-KYXWUPHJSA-N -1 0 318.395 -0.116 20 0 DBADRM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001594867846 1017068166 /nfs/dbraw/zinc/06/81/66/1017068166.db2.gz UJXFMAIOBWKOMT-CIUDSAMLSA-N -1 0 304.368 -0.504 20 0 DBADRM CC[C@](C)(NS(=O)(=O)CCCCS(N)(=O)=O)C(=O)[O-] ZINC001594853224 1017068204 /nfs/dbraw/zinc/06/82/04/1017068204.db2.gz MKUKAVVCEFCXDT-VIFPVBQESA-N -1 0 316.401 -0.772 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@H](C)NC(C)=O)C(=O)[O-] ZINC001594902912 1017068618 /nfs/dbraw/zinc/06/86/18/1017068618.db2.gz CZOSOMPQFQAHIB-LAEOZQHASA-N -1 0 302.327 -0.330 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@@H]1CCC(=O)N1C)C(=O)[O-] ZINC001594898179 1017068858 /nfs/dbraw/zinc/06/88/58/1017068858.db2.gz USCRNIQCKKFYAX-AUTRQRHGSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)Cn1nc2cnccn2c1=O)C(=O)[O-] ZINC001594908119 1017068942 /nfs/dbraw/zinc/06/89/42/1017068942.db2.gz CJPXMRPTXPSVDI-GZMMTYOYSA-N -1 0 307.310 -0.494 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC001594909430 1017069339 /nfs/dbraw/zinc/06/93/39/1017069339.db2.gz UIPQCQRVYOVMLP-KCJUWKMLSA-N -1 0 307.310 -0.494 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC001594757886 1017063746 /nfs/dbraw/zinc/06/37/46/1017063746.db2.gz SVSNWSAVTKPMHA-NXEZZACHSA-N -1 0 321.399 -0.516 20 0 DBADRM CC[C@@H](C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])N1CCCC1=O ZINC001594730015 1017063981 /nfs/dbraw/zinc/06/39/81/1017063981.db2.gz XYTLSDAFGHREMV-UWVGGRQHSA-N -1 0 314.338 -0.280 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCN(CC(=O)NCCOC)CC1 ZINC001594745166 1017064235 /nfs/dbraw/zinc/06/42/35/1017064235.db2.gz LZAZUMCKTGQMAL-NSHDSACASA-N -1 0 315.370 -0.996 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)NCC(=O)OC ZINC001594742769 1017064504 /nfs/dbraw/zinc/06/45/04/1017064504.db2.gz HNACWSXSTDGMJK-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)C1(C(N)=O)CCC1)C(=O)[O-] ZINC001594898126 1017069599 /nfs/dbraw/zinc/06/95/99/1017069599.db2.gz UKZXIAMSVWDWPJ-WCBMZHEXSA-N -1 0 314.338 -0.199 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCN(CCOC)CC1)C(=O)[O-] ZINC001594894275 1017069643 /nfs/dbraw/zinc/06/96/43/1017069643.db2.gz OMJLEOHPXPCJFD-TZMCWYRMSA-N -1 0 315.414 -0.134 20 0 DBADRM CC[C@](C)(NC(=O)C1=CN(C)S(=O)(=O)N=C1C)C(=O)[O-] ZINC001594836378 1017066004 /nfs/dbraw/zinc/06/60/04/1017066004.db2.gz WXKNCIORMYLYDG-NSHDSACASA-N -1 0 303.340 -0.109 20 0 DBADRM CCC(C)(C)C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001594794300 1017067115 /nfs/dbraw/zinc/06/71/15/1017067115.db2.gz HGEGIXOAFMYPFC-SECBINFHSA-N -1 0 310.354 -0.078 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)C2CC2)C1 ZINC001430137604 1006709017 /nfs/dbraw/zinc/70/90/17/1006709017.db2.gz KCSLBAHNZAXNPJ-UHFFFAOYSA-N -1 0 309.326 -0.794 20 0 DBADRM NC(=O)CCCC(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001441588010 1006741362 /nfs/dbraw/zinc/74/13/62/1006741362.db2.gz UFNBQGLXUPAPBQ-JTQLQIEISA-N -1 0 324.385 -0.506 20 0 DBADRM O=C(CNC(=O)CSc1n[nH]c(=O)[n-]1)NCc1ccco1 ZINC001441650008 1006774343 /nfs/dbraw/zinc/77/43/43/1006774343.db2.gz NGMYTNAWLYQAGJ-UHFFFAOYSA-N -1 0 311.323 -0.372 20 0 DBADRM CC1(C)CC(CC(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)C1 ZINC001441741890 1006846229 /nfs/dbraw/zinc/84/62/29/1006846229.db2.gz UKVNXFRKXAYXIR-SNVBAGLBSA-N -1 0 311.386 -0.097 20 0 DBADRM C[C@H](CNC(=O)C1CC1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001430411334 1006846388 /nfs/dbraw/zinc/84/63/88/1006846388.db2.gz LNGSJUDJGSAJOS-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1cc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)ccc1F ZINC001441746125 1006848549 /nfs/dbraw/zinc/84/85/49/1006848549.db2.gz PLKAXQNPSHSRBV-SNVBAGLBSA-N -1 0 323.328 -0.162 20 0 DBADRM C[C@H](CNC(=O)C(C)(C)F)NC(=O)c1cnc([O-])n(C)c1=O ZINC001430427401 1006851304 /nfs/dbraw/zinc/85/13/04/1006851304.db2.gz STABWNHDMKBTLL-SSDOTTSWSA-N -1 0 314.317 -0.532 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2cccnn2)c1[O-] ZINC001430481332 1006869988 /nfs/dbraw/zinc/86/99/88/1006869988.db2.gz OOKJEWNAALJXQN-SSDOTTSWSA-N -1 0 304.310 -0.238 20 0 DBADRM CC(C)n1cccc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001441793313 1006877675 /nfs/dbraw/zinc/87/76/75/1006877675.db2.gz MZBVQHKOLBMMEB-SNVBAGLBSA-N -1 0 322.369 -0.227 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)Cn1nccn1 ZINC001430571854 1006902450 /nfs/dbraw/zinc/90/24/50/1006902450.db2.gz MNPQNTMWFIEKIN-VIFPVBQESA-N -1 0 321.341 -0.660 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)c1ncn(C)n1 ZINC001430569540 1006903037 /nfs/dbraw/zinc/90/30/37/1006903037.db2.gz KCIOHFNZZQCTDT-QMMMGPOBSA-N -1 0 321.341 -0.509 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)Cn2ccc(C(=O)[O-])n2)O1 ZINC001598116772 1017233256 /nfs/dbraw/zinc/23/32/56/1017233256.db2.gz FLHOFYPMFOAOJH-ONGXEEELSA-N -1 0 324.337 -0.667 20 0 DBADRM CN(C(C)(C)C(N)=O)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001598106397 1017233417 /nfs/dbraw/zinc/23/34/17/1017233417.db2.gz MBXTWNGAWWADCR-UHFFFAOYSA-N -1 0 303.340 -0.392 20 0 DBADRM CN(C(=S)NCCNS(C)(=O)=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598103768 1017233536 /nfs/dbraw/zinc/23/35/36/1017233536.db2.gz SHFUWTJAUVNQGX-OCAPTIKFSA-N -1 0 309.413 -0.795 20 0 DBADRM CN(C)C(=O)[C@H]1CSCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001598119347 1017233685 /nfs/dbraw/zinc/23/36/85/1017233685.db2.gz OORODWLWHHMDID-SECBINFHSA-N -1 0 310.335 -0.222 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001598118808 1017233797 /nfs/dbraw/zinc/23/37/97/1017233797.db2.gz OLQKZZXUAUKNMS-MXWKQRLJSA-N -1 0 318.395 -0.020 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NC2CC(C(=O)[O-])C2)O1 ZINC001598118813 1017233983 /nfs/dbraw/zinc/23/39/83/1017233983.db2.gz ONMATVUTJKNDQZ-WFBLGPOFSA-N -1 0 313.354 -0.215 20 0 DBADRM CN(C(=O)c1cncnc1)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598098550 1017234027 /nfs/dbraw/zinc/23/40/27/1017234027.db2.gz PLSFGLUCHRFFJW-QWRGUYRKSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C)C1(CS(=O)(=O)N[C@H](CC2OCCO2)C(=O)[O-])CC1 ZINC001598184479 1017242269 /nfs/dbraw/zinc/24/22/69/1017242269.db2.gz UWAJLKYLIVMSKU-SECBINFHSA-N -1 0 322.383 -0.784 20 0 DBADRM CN(C)C(=O)CCCOC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001598124497 1017236118 /nfs/dbraw/zinc/23/61/18/1017236118.db2.gz JVOZLANATVSIOY-UHFFFAOYSA-N -1 0 310.306 -0.042 20 0 DBADRM CN(C)C(=O)CNC(=O)N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001598130406 1017236569 /nfs/dbraw/zinc/23/65/69/1017236569.db2.gz YULCDPGKQISASI-UHFFFAOYSA-N -1 0 306.322 -0.064 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001598130373 1017237219 /nfs/dbraw/zinc/23/72/19/1017237219.db2.gz XPPFJDFOZPQMRH-UHFFFAOYSA-N -1 0 321.333 -0.866 20 0 DBADRM CN(C)C(=O)CN1CCCN(c2cc(C(=O)[O-])ncn2)CC1 ZINC001598129923 1017237401 /nfs/dbraw/zinc/23/74/01/1017237401.db2.gz GZSMRVMHPJTTBC-UHFFFAOYSA-N -1 0 307.354 -0.225 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)c2ccc(C(=O)[O-])n2C)C1 ZINC001598130903 1017237438 /nfs/dbraw/zinc/23/74/38/1017237438.db2.gz OUIQMPHJKNLKDM-UHFFFAOYSA-N -1 0 309.322 -0.348 20 0 DBADRM CN(C)C(=O)c1ccnc(NC(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001598162752 1017242399 /nfs/dbraw/zinc/24/23/99/1017242399.db2.gz LPZAJPCDKRRGPY-SECBINFHSA-N -1 0 310.310 -0.260 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(C(=O)[O-])nc2)nn1 ZINC001598134413 1017238520 /nfs/dbraw/zinc/23/85/20/1017238520.db2.gz RKQSBTVGLAVYJX-UHFFFAOYSA-N -1 0 318.293 -0.288 20 0 DBADRM CN(C)C(=O)NC1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC001598139434 1017238613 /nfs/dbraw/zinc/23/86/13/1017238613.db2.gz MNJDVFZBKLXBKP-MNOVXSKESA-N -1 0 313.354 -0.119 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001598139408 1017238831 /nfs/dbraw/zinc/23/88/31/1017238831.db2.gz YXRMRRCSXGZXQP-VIFPVBQESA-N -1 0 324.341 -0.809 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)c2cc(C(=O)[O-])no2)n1 ZINC001598135399 1017239528 /nfs/dbraw/zinc/23/95/28/1017239528.db2.gz RGHNWYMVVBFGFC-UHFFFAOYSA-N -1 0 307.266 -0.090 20 0 DBADRM CN(C)C(=O)N1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001598139223 1017239858 /nfs/dbraw/zinc/23/98/58/1017239858.db2.gz IMJILGFZNUYDLD-UHFFFAOYSA-N -1 0 319.383 -0.377 20 0 DBADRM CN(C)C1(CS(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001598184539 1017241077 /nfs/dbraw/zinc/24/10/77/1017241077.db2.gz WKOAISJTQBXNLI-UWVGGRQHSA-N -1 0 306.384 -0.822 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@H]2COCCO2)ccc1[O-] ZINC001598161434 1017241603 /nfs/dbraw/zinc/24/16/03/1017241603.db2.gz YNDPKFLWCKLMPW-SECBINFHSA-N -1 0 302.308 -0.607 20 0 DBADRM CN(C(=O)[C@H](O)c1cnn(C)c1)[C@H](COC1CCC1)C(=O)[O-] ZINC001597991733 1017226930 /nfs/dbraw/zinc/22/69/30/1017226930.db2.gz UWQFNNMSWGUDHL-VXGBXAGGSA-N -1 0 311.338 -0.066 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001597997768 1017227112 /nfs/dbraw/zinc/22/71/12/1017227112.db2.gz AYXMXOOQQBWRJS-BDAKNGLRSA-N -1 0 320.305 -0.814 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cnn(C)c2)C1 ZINC001597998296 1017227191 /nfs/dbraw/zinc/22/71/91/1017227191.db2.gz KMMPGKDIVVGQNV-GHMZBOCLSA-N -1 0 306.322 -0.576 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)C2=COCCO2)C1 ZINC001597998323 1017227265 /nfs/dbraw/zinc/22/72/65/1017227265.db2.gz KUJSOANOZOKEFE-ZJUUUORDSA-N -1 0 310.306 -0.736 20 0 DBADRM CN(C(=O)C[C@H]1CC(=O)NC1=O)[C@H](COC1CCC1)C(=O)[O-] ZINC001598008604 1017228727 /nfs/dbraw/zinc/22/87/27/1017228727.db2.gz YBHACUXNRCOOGC-PSASIEDQSA-N -1 0 312.322 -0.480 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2ccnnc2)C1 ZINC001597998750 1017229284 /nfs/dbraw/zinc/22/92/84/1017229284.db2.gz UBWSYDWXFFDJAY-WDEREUQCSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(CCCS(C)(=O)=O)C1 ZINC001597998873 1017229402 /nfs/dbraw/zinc/22/94/02/1017229402.db2.gz WQQDMIFYSITKOG-MNOVXSKESA-N -1 0 318.395 -0.716 20 0 DBADRM CN(C(=O)Cc1ccon1)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598040245 1017229812 /nfs/dbraw/zinc/22/98/12/1017229812.db2.gz JQGUMEOQMJEFMU-WDEREUQCSA-N -1 0 307.306 -0.393 20 0 DBADRM CN(C(=O)N1CC[C@](F)(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC001598042460 1017231694 /nfs/dbraw/zinc/23/16/94/1017231694.db2.gz YUMXCQUVLGPLHE-GZMMTYOYSA-N -1 0 308.331 -0.276 20 0 DBADRM CN(C(=O)c1cnsn1)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598097277 1017232778 /nfs/dbraw/zinc/23/27/78/1017232778.db2.gz BMYKPZBKHJOABQ-SFYZADRCSA-N -1 0 310.335 -0.458 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC1(C)C ZINC001430691369 1006994769 /nfs/dbraw/zinc/99/47/69/1006994769.db2.gz YREJPASYOVJHRY-BQBZGAKWSA-N -1 0 309.326 -0.437 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1=CCCC1 ZINC001430699796 1007001512 /nfs/dbraw/zinc/00/15/12/1007001512.db2.gz YAMYNDFOOYEJJM-MRVPVSSYSA-N -1 0 309.326 -0.580 20 0 DBADRM CCC1(C(=O)N[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001430698806 1007003016 /nfs/dbraw/zinc/00/30/16/1007003016.db2.gz SPCNZBDRJQBOOK-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@@H](CNC(=O)CC1CC1)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001430947465 1007078990 /nfs/dbraw/zinc/07/89/90/1007078990.db2.gz CUJLICZDXZBOIB-ZETCQYMHSA-N -1 0 309.326 -0.435 20 0 DBADRM Cc1ccoc1C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001442035761 1007102474 /nfs/dbraw/zinc/10/24/74/1007102474.db2.gz FIBYXBLNRQRTQF-JTQLQIEISA-N -1 0 323.353 -0.023 20 0 DBADRM C[C@H](CNC(=O)CCCF)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001431052446 1007164670 /nfs/dbraw/zinc/16/46/70/1007164670.db2.gz JQNNDJILFVCDEM-MRVPVSSYSA-N -1 0 317.321 -0.693 20 0 DBADRM CC[C@H](F)C(=O)NCC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431068864 1007171565 /nfs/dbraw/zinc/17/15/65/1007171565.db2.gz MHAGRPYDTLCVEQ-RQJHMYQMSA-N -1 0 315.305 -0.345 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2cnns2)c1[O-] ZINC001431147057 1007213590 /nfs/dbraw/zinc/21/35/90/1007213590.db2.gz AOYOVZHHDWOBRG-UHFFFAOYSA-N -1 0 310.339 -0.223 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ncn(Cc2ccccc2)n1 ZINC001442209360 1007316804 /nfs/dbraw/zinc/31/68/04/1007316804.db2.gz FZIWEANVZCGJHS-UHFFFAOYSA-N -1 0 315.293 -0.032 20 0 DBADRM Cc1conc1C(=O)N(C)CCNC(=O)c1cnc[nH]c1=O ZINC001431322778 1007346898 /nfs/dbraw/zinc/34/68/98/1007346898.db2.gz NTJACLQOJJZIQF-UHFFFAOYSA-N -1 0 305.294 -0.019 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1CCCC1 ZINC001431414346 1007406039 /nfs/dbraw/zinc/40/60/39/1007406039.db2.gz ONLKMXLEUVLMHK-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM Cc1cocc1C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001431433541 1007419745 /nfs/dbraw/zinc/41/97/45/1007419745.db2.gz RQCQDJINXQHMDA-UHFFFAOYSA-N -1 0 323.309 -0.521 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001442421044 1007425822 /nfs/dbraw/zinc/42/58/22/1007425822.db2.gz RZPTWIONRZDQFE-BQBZGAKWSA-N -1 0 311.342 -0.817 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)c2nc[nH]n2)c1[O-] ZINC001442708129 1007626138 /nfs/dbraw/zinc/62/61/38/1007626138.db2.gz QABRPXPBXGJQEO-LURJTMIESA-N -1 0 307.314 -0.568 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N(CC)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431669569 1007664442 /nfs/dbraw/zinc/66/44/42/1007664442.db2.gz JTSLBGIANPFMES-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM CNC(=O)C1(NC(=O)c2c[n-]n3c2nccc3=O)CCCC1 ZINC001442802836 1007667834 /nfs/dbraw/zinc/66/78/34/1007667834.db2.gz ZFLYZIIJOVFKCS-UHFFFAOYSA-N -1 0 303.322 -0.189 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)CSC ZINC001431681998 1007668553 /nfs/dbraw/zinc/66/85/53/1007668553.db2.gz VMRKMHKPZBRCRF-UHFFFAOYSA-N -1 0 317.371 -0.983 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCCN1C(=O)C1CC1 ZINC001431757614 1007696800 /nfs/dbraw/zinc/69/68/00/1007696800.db2.gz RRUSKFBKLVHQDU-VIFPVBQESA-N -1 0 309.326 -0.794 20 0 DBADRM C[C@@H](CNC(=O)c1c[n-]n2c1nccc2=O)NC(=O)C(F)F ZINC001431755991 1007697029 /nfs/dbraw/zinc/69/70/29/1007697029.db2.gz VJMKMOHJYXXVDO-LURJTMIESA-N -1 0 313.264 -0.478 20 0 DBADRM CCCN(CCNC(=O)C1CC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001431772990 1007705013 /nfs/dbraw/zinc/70/50/13/1007705013.db2.gz LKDTVVCZVMEXME-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001598260232 1017250271 /nfs/dbraw/zinc/25/02/71/1017250271.db2.gz ZNSYKFJYIJJXMX-KYXWUPHJSA-N -1 0 304.368 -0.507 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001598257777 1017250639 /nfs/dbraw/zinc/25/06/39/1017250639.db2.gz SKGLEJLRBDMJGP-KYZUINATSA-N -1 0 319.383 -0.427 20 0 DBADRM CN(C)N(C(=S)NCCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001598257474 1017250671 /nfs/dbraw/zinc/25/06/71/1017250671.db2.gz MFCZUZHWEGIAFT-VIFPVBQESA-N -1 0 323.440 -0.309 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H]2C(=O)[O-])c1 ZINC001598266496 1017251489 /nfs/dbraw/zinc/25/14/89/1017251489.db2.gz CTZXUHVSVAYYQE-VIFPVBQESA-N -1 0 301.324 -0.436 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001598261596 1017252271 /nfs/dbraw/zinc/25/22/71/1017252271.db2.gz FLMGJNLAKSWLKC-UHFFFAOYSA-N -1 0 315.351 -0.071 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(c2nccnc2C(=O)[O-])CC1 ZINC001598264888 1017252448 /nfs/dbraw/zinc/25/24/48/1017252448.db2.gz CLJWBOKTJMPCRB-UHFFFAOYSA-N -1 0 315.355 -0.897 20 0 DBADRM CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001598265642 1017252722 /nfs/dbraw/zinc/25/27/22/1017252722.db2.gz ZHSGVLFPYVVYLD-UHFFFAOYSA-N -1 0 317.323 -0.802 20 0 DBADRM CN(C)S(=O)(=O)CCS(=O)(=O)NCCCCC(=O)[O-] ZINC001598262953 1017252987 /nfs/dbraw/zinc/25/29/87/1017252987.db2.gz YXSYSUZYZJNGJY-UHFFFAOYSA-N -1 0 316.401 -0.948 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)OCC(=O)C1(C(=O)[O-])CC1 ZINC001598262590 1017252999 /nfs/dbraw/zinc/25/29/99/1017252999.db2.gz XVSSMCJMMPPWJU-UHFFFAOYSA-N -1 0 307.324 -0.755 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC001598282955 1017255556 /nfs/dbraw/zinc/25/55/56/1017255556.db2.gz QOZBJBLBRCCFFQ-NTCNTBNZSA-N -1 0 313.401 -0.255 20 0 DBADRM CN(C)c1ccc(NC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001598322775 1017253942 /nfs/dbraw/zinc/25/39/42/1017253942.db2.gz MOBPKWTZHBPIFK-UHFFFAOYSA-N -1 0 307.306 -0.651 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N1CC2CC1(C(=O)[O-])C2 ZINC001598282728 1017254229 /nfs/dbraw/zinc/25/42/29/1017254229.db2.gz NLDBVWLKKXUIJZ-WGLYGASNSA-N -1 0 311.385 -0.645 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)NCC(C)(C)C(=O)[O-] ZINC001598283137 1017254240 /nfs/dbraw/zinc/25/42/40/1017254240.db2.gz FPTLNSHBFVRMEE-KRWDZBQOSA-N -1 0 301.390 -0.494 20 0 DBADRM CN(C)c1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])ccn1 ZINC001598287301 1017254290 /nfs/dbraw/zinc/25/42/90/1017254290.db2.gz AEJNVVOZIYBLAX-LLVKDONJSA-N -1 0 320.349 -0.047 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC001598282953 1017254651 /nfs/dbraw/zinc/25/46/51/1017254651.db2.gz QOZBJBLBRCCFFQ-CVJBHZAOSA-N -1 0 313.401 -0.255 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(Cc2cnn(C)n2)C2CC2)c1[O-] ZINC001442998851 1007754258 /nfs/dbraw/zinc/75/42/58/1007754258.db2.gz KQOCTFGSCCCOAN-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@@H](NC(=O)CC1CC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001443173444 1007803417 /nfs/dbraw/zinc/80/34/17/1007803417.db2.gz RBHBVUYYDLYZQQ-SSDOTTSWSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1C(=O)C1CCCC1 ZINC001432092853 1007810676 /nfs/dbraw/zinc/81/06/76/1007810676.db2.gz ZJWKHIBKCNGYOM-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM CN(CCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C(=O)C1(C)CC1 ZINC001443278549 1007823282 /nfs/dbraw/zinc/82/32/82/1007823282.db2.gz BFAVZVOSAZNUCQ-UHFFFAOYSA-N -1 0 322.413 -0.114 20 0 DBADRM Cn1cc(Br)c(C(=O)NCc2nnn[n-]2)cc1=O ZINC001443334372 1007832350 /nfs/dbraw/zinc/83/23/50/1007832350.db2.gz KGABJLMHJXMQAB-UHFFFAOYSA-N -1 0 313.115 -0.409 20 0 DBADRM O=C(C[C@H]1CS(=O)(=O)c2ccccc2O1)NCc1nnn[n-]1 ZINC001443338116 1007834368 /nfs/dbraw/zinc/83/43/68/1007834368.db2.gz RDUSFFYNNTZYND-QMMMGPOBSA-N -1 0 323.334 -0.559 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001443408679 1007844220 /nfs/dbraw/zinc/84/42/20/1007844220.db2.gz VTPZVUTWXRZECW-DTWKUNHWSA-N -1 0 310.358 -0.898 20 0 DBADRM O=C(c1cccn2c(=O)[nH]nc12)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001443448670 1007848509 /nfs/dbraw/zinc/84/85/09/1007848509.db2.gz KPLCNIRTWSJNCJ-MRVPVSSYSA-N -1 0 316.281 -0.838 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CCNC(=O)C3CC3)C2)c1[O-] ZINC001443489092 1007863107 /nfs/dbraw/zinc/86/31/07/1007863107.db2.gz YEYXWAXMBMUWMC-UHFFFAOYSA-N -1 0 307.354 -0.636 20 0 DBADRM C[C@@H](CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn(C)c1 ZINC001443506835 1007865695 /nfs/dbraw/zinc/86/56/95/1007865695.db2.gz FKJCGUFLPYZUIE-VIFPVBQESA-N -1 0 319.369 -0.262 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001432251385 1007868906 /nfs/dbraw/zinc/86/89/06/1007868906.db2.gz LHUNAMHTTGKEGS-YUMQZZPRSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001432251371 1007869188 /nfs/dbraw/zinc/86/91/88/1007869188.db2.gz LHUNAMHTTGKEGS-SFYZADRCSA-N -1 0 321.337 -0.293 20 0 DBADRM CC(C)C(=O)NC[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001443524408 1007869976 /nfs/dbraw/zinc/86/99/76/1007869976.db2.gz PAPSIHQHNFXGRM-KYZUINATSA-N -1 0 311.342 -0.644 20 0 DBADRM C[C@@H](Oc1ccccn1)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001443539631 1007872709 /nfs/dbraw/zinc/87/27/09/1007872709.db2.gz FGEHMFJZIDCCER-SECBINFHSA-N -1 0 318.337 -0.327 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)CS(C)(=O)=O)C(=O)[O-] ZINC001594895042 1017071090 /nfs/dbraw/zinc/07/10/90/1017071090.db2.gz ALPYCBBTPFKCHR-OIBJUYFYSA-N -1 0 309.340 -0.810 20 0 DBADRM CO[C@@H](C(=O)NC1CN(C(=O)c2cnc[nH]c2=O)C1)C(C)C ZINC001432346875 1007895813 /nfs/dbraw/zinc/89/58/13/1007895813.db2.gz WROZBUJLFGEIGY-LLVKDONJSA-N -1 0 308.338 -0.206 20 0 DBADRM COCC(=O)N(C)C1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001432356671 1007899031 /nfs/dbraw/zinc/89/90/31/1007899031.db2.gz MIKCMBRFVIIDND-UHFFFAOYSA-N -1 0 320.305 -0.142 20 0 DBADRM CC[C@H](C)C[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)[O-] ZINC001594938704 1017072051 /nfs/dbraw/zinc/07/20/51/1017072051.db2.gz ORSBFXQKMWQIEU-UWVGGRQHSA-N -1 0 323.415 -0.270 20 0 DBADRM CCC(=O)N(C)C[C@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001443694386 1007902739 /nfs/dbraw/zinc/90/27/39/1007902739.db2.gz IHZPUEPWBJZTRK-VIFPVBQESA-N -1 0 313.358 -0.157 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)/C=C\c1nccs1 ZINC001594959827 1017072224 /nfs/dbraw/zinc/07/22/24/1017072224.db2.gz HBIHOHRVBLSBKV-SLYZXXNYSA-N -1 0 316.360 -0.134 20 0 DBADRM CC[C@H](C)C[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001594939935 1017072481 /nfs/dbraw/zinc/07/24/81/1017072481.db2.gz VYXMBGIGSTYPJE-WPRPVWTQSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C\c1nccs1 ZINC001594959826 1017073078 /nfs/dbraw/zinc/07/30/78/1017073078.db2.gz HBIHOHRVBLSBKV-JQSQLHRZSA-N -1 0 316.360 -0.134 20 0 DBADRM CCC(CC)N1C[C@@H](C(=O)N[C@](C)(CO)C(=O)[O-])CC1=O ZINC001595115290 1017073848 /nfs/dbraw/zinc/07/38/48/1017073848.db2.gz BADBCDKCMXTEFT-LKFCYVNXSA-N -1 0 300.355 -0.025 20 0 DBADRM CCC(CC)[C@@H](C(=O)N1CC(O)(C(=O)[O-])C1)N1CCOCC1 ZINC001595105990 1017073904 /nfs/dbraw/zinc/07/39/04/1017073904.db2.gz WFZVNJWCTYENIV-LBPRGKRZSA-N -1 0 314.382 -0.219 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)Cc3ccon3)C2)c1[O-] ZINC001432391164 1007915753 /nfs/dbraw/zinc/91/57/53/1007915753.db2.gz VBOXMFUQMWOFGP-UHFFFAOYSA-N -1 0 319.321 -0.157 20 0 DBADRM CCC(CC)N1C[C@H](C(=O)NC[C@H](O)CC(=O)[O-])CC1=O ZINC001595117256 1017074140 /nfs/dbraw/zinc/07/41/40/1017074140.db2.gz VWUNHKYZBUVZCS-MWLCHTKSSA-N -1 0 300.355 -0.025 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)Cn2cccn2)c1[O-] ZINC001443756332 1007918600 /nfs/dbraw/zinc/91/86/00/1007918600.db2.gz HOENALWUYQSMHI-VIFPVBQESA-N -1 0 320.353 -0.103 20 0 DBADRM CCC(CC)(CC)CNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001595058012 1017074830 /nfs/dbraw/zinc/07/48/30/1017074830.db2.gz ZXNZITPQIKMSGD-UHFFFAOYSA-N -1 0 300.355 -0.023 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001595043338 1017075012 /nfs/dbraw/zinc/07/50/12/1017075012.db2.gz FSPNOLUMKKCVNU-MRVPVSSYSA-N -1 0 321.351 -0.319 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001594989605 1017075066 /nfs/dbraw/zinc/07/50/66/1017075066.db2.gz OULXCOUGGFVBCE-SWLSCSKDSA-N -1 0 313.398 -0.238 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001595003198 1017075213 /nfs/dbraw/zinc/07/52/13/1017075213.db2.gz AFHRKTIKSCOFSQ-DCAQKATOSA-N -1 0 315.370 -0.232 20 0 DBADRM CCC(CC)(CO)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001595088757 1017075267 /nfs/dbraw/zinc/07/52/67/1017075267.db2.gz VGXDIQLLWLJKJL-TVQRCGJNSA-N -1 0 321.395 -0.211 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)Nc1ccn(CCOC)n1)C(=O)[O-] ZINC001595135663 1017076384 /nfs/dbraw/zinc/07/63/84/1017076384.db2.gz ZKFDECWRMUKMHU-VIFPVBQESA-N -1 0 312.326 -0.305 20 0 DBADRM CC[C@](COC)(NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)[O-] ZINC001595189751 1017077850 /nfs/dbraw/zinc/07/78/50/1017077850.db2.gz WHYFZCVWMUKROE-CYBMUJFWSA-N -1 0 323.309 -0.933 20 0 DBADRM C[C@@H](C(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC001432464575 1007945926 /nfs/dbraw/zinc/94/59/26/1007945926.db2.gz CRRRXULYWGZSCA-MRVPVSSYSA-N -1 0 323.353 -0.690 20 0 DBADRM CC[C@](COC)(NC(=O)[C@@]1(F)CCS(=O)(=O)C1)C(=O)[O-] ZINC001595187228 1017078133 /nfs/dbraw/zinc/07/81/33/1017078133.db2.gz JWKBHBQLYPAKQL-GHMZBOCLSA-N -1 0 311.331 -0.491 20 0 DBADRM CC[C@@](COC)(NC(=O)C1=C(C)N(C)c2nnnn2C1)C(=O)[O-] ZINC001595187484 1017078741 /nfs/dbraw/zinc/07/87/41/1017078741.db2.gz MYQSTEIYIKNZET-ZDUSSCGKSA-N -1 0 324.341 -0.607 20 0 DBADRM CC[C@@H](CO)[NH+]1CCN(CCc2cn(CC(=O)[O-])nn2)CC1 ZINC001595174690 1017079059 /nfs/dbraw/zinc/07/90/59/1017079059.db2.gz UGLQHMZBHROTLD-ZDUSSCGKSA-N -1 0 311.386 -0.706 20 0 DBADRM CC[C@](COC)(NC(=O)C[C@@H]1CCCS1(=O)=O)C(=O)[O-] ZINC001595188486 1017079227 /nfs/dbraw/zinc/07/92/27/1017079227.db2.gz PLXGUQKRPMTOAV-JOYOIKCWSA-N -1 0 307.368 -0.050 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(F)F ZINC001443935719 1007968172 /nfs/dbraw/zinc/96/81/72/1007968172.db2.gz NELGLFFHJSBZKZ-YFKPBYRVSA-N -1 0 319.268 -0.485 20 0 DBADRM CN(CCN1CCCC1=O)C(=O)c1c[n-]n2c1nccc2=O ZINC001444061240 1008005894 /nfs/dbraw/zinc/00/58/94/1008005894.db2.gz XSBRUTOGSKIYRF-UHFFFAOYSA-N -1 0 303.322 -0.283 20 0 DBADRM CS[C@@H](C)C(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001444103366 1008026229 /nfs/dbraw/zinc/02/62/29/1008026229.db2.gz BSJGEVHMFRJRHR-JGVFFNPUSA-N -1 0 316.383 -0.618 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)CNC(=O)C1CCC1 ZINC001432935762 1008042315 /nfs/dbraw/zinc/04/23/15/1008042315.db2.gz YBYJKUUYSDERKB-VIFPVBQESA-N -1 0 322.365 -0.232 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1=O ZINC001444170709 1008059245 /nfs/dbraw/zinc/05/92/45/1008059245.db2.gz IGXPAKDIIWQRQV-VIFPVBQESA-N -1 0 311.342 -0.405 20 0 DBADRM CCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433210581 1008092580 /nfs/dbraw/zinc/09/25/80/1008092580.db2.gz GTOMDFSNPRSOSK-YUMQZZPRSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(C)C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433218473 1008095906 /nfs/dbraw/zinc/09/59/06/1008095906.db2.gz PELTYYGYMUDTOL-IUCAKERBSA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]2C[C@H]2C)c1[O-] ZINC001444703317 1008224853 /nfs/dbraw/zinc/22/48/53/1008224853.db2.gz HILNPQAJGPXBMU-FKTZTGRPSA-N -1 0 310.354 -0.371 20 0 DBADRM CC[C@H](F)C(=O)N(C)C[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001444703508 1008224867 /nfs/dbraw/zinc/22/48/67/1008224867.db2.gz GYXIJZDXNGYBLU-BDAKNGLRSA-N -1 0 316.333 -0.279 20 0 DBADRM CC[C@H](F)C(=O)N(C)C[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001444703521 1008225474 /nfs/dbraw/zinc/22/54/74/1008225474.db2.gz GYXIJZDXNGYBLU-IUCAKERBSA-N -1 0 316.333 -0.279 20 0 DBADRM Cc1c(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001444946409 1008262025 /nfs/dbraw/zinc/26/20/25/1008262025.db2.gz ZFUOQRZBUJEKJN-UHFFFAOYSA-N -1 0 307.358 -0.244 20 0 DBADRM CCc1nsc(N2CCN(C(=O)CCc3nnn[n-]3)CC2)n1 ZINC001444986470 1008268839 /nfs/dbraw/zinc/26/88/39/1008268839.db2.gz KXKHNOTVFBLNLF-UHFFFAOYSA-N -1 0 322.398 -0.105 20 0 DBADRM CCn1cc(CNC[C@H](C)NC(=O)c2[nH]nc(C)c2[O-])nn1 ZINC001445554587 1008396743 /nfs/dbraw/zinc/39/67/43/1008396743.db2.gz VQLFNXURFOQAJR-QMMMGPOBSA-N -1 0 307.358 -0.057 20 0 DBADRM Cc1cnc(CNC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)nc1 ZINC001445646008 1008412627 /nfs/dbraw/zinc/41/26/27/1008412627.db2.gz UDALDCMOFRDJBP-VIFPVBQESA-N -1 0 321.341 -0.918 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)Cc2nc(=O)n(C)[nH]2)c1[O-] ZINC001445694772 1008421489 /nfs/dbraw/zinc/42/14/89/1008421489.db2.gz UOCBDNLFYFIOQV-SSDOTTSWSA-N -1 0 323.357 -0.904 20 0 DBADRM Cc1cnn(CC(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)c1 ZINC001445700021 1008422466 /nfs/dbraw/zinc/42/24/66/1008422466.db2.gz XTHBOLMNPBOPSA-JTQLQIEISA-N -1 0 307.358 -0.348 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)Cc1cnn(C)c1 ZINC001445705121 1008423730 /nfs/dbraw/zinc/42/37/30/1008423730.db2.gz LEMSEQISMKEMES-SECBINFHSA-N -1 0 307.358 -0.577 20 0 DBADRM Cc1conc1CN(C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001445764231 1008431964 /nfs/dbraw/zinc/43/19/64/1008431964.db2.gz GKLUCUOEJPRFFP-QMMMGPOBSA-N -1 0 322.325 -0.170 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)COCC(F)F ZINC001445766963 1008432422 /nfs/dbraw/zinc/43/24/22/1008432422.db2.gz QKJBCWOLXPBMRR-SSDOTTSWSA-N -1 0 307.301 -0.272 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1ccn(C)c(=O)c1 ZINC001445773893 1008434934 /nfs/dbraw/zinc/43/49/34/1008434934.db2.gz VEHWVWJPUQHNBL-VIFPVBQESA-N -1 0 320.353 -0.541 20 0 DBADRM COc1c(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001445850360 1008440225 /nfs/dbraw/zinc/44/02/25/1008440225.db2.gz FUUINWIQMFROQQ-QMMMGPOBSA-N -1 0 323.357 -0.497 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC(C(=O)NCCCO)CC2)cc1=O ZINC001445941060 1008449802 /nfs/dbraw/zinc/44/98/02/1008449802.db2.gz DXRNHRAQERNQOC-UHFFFAOYSA-N -1 0 310.354 -0.524 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCc2cc(C(N)=O)no2)cc1=O ZINC001445987754 1008456426 /nfs/dbraw/zinc/45/64/26/1008456426.db2.gz PNOYDNBNNOJUSE-UHFFFAOYSA-N -1 0 321.337 -0.222 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCCO[C@H]1CCOC1 ZINC001446040399 1008466013 /nfs/dbraw/zinc/46/60/13/1008466013.db2.gz YPVBKBPUKDWPJM-QMMMGPOBSA-N -1 0 302.356 -0.086 20 0 DBADRM Cn1ccc(CCC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001446052921 1008467869 /nfs/dbraw/zinc/46/78/69/1008467869.db2.gz GNEXDJZMQATXAG-NSHDSACASA-N -1 0 319.369 -0.433 20 0 DBADRM Cc1cn(C)nc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001446170559 1008485143 /nfs/dbraw/zinc/48/51/43/1008485143.db2.gz ONAJHPBACMXIPM-UHFFFAOYSA-N -1 0 305.342 -0.396 20 0 DBADRM Cc1cc(=O)c(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)c[nH]1 ZINC001446255877 1008496551 /nfs/dbraw/zinc/49/65/51/1008496551.db2.gz DOVYZARVVMHYJR-UHFFFAOYSA-N -1 0 318.337 -0.441 20 0 DBADRM CON1CCC(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CC1 ZINC001457588698 1008544529 /nfs/dbraw/zinc/54/45/29/1008544529.db2.gz FWKYCOYKNVVSMU-UHFFFAOYSA-N -1 0 303.344 -0.580 20 0 DBADRM Cn1cc([C@@H]2C[C@H]2C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cn1 ZINC001457594984 1008545793 /nfs/dbraw/zinc/54/57/93/1008545793.db2.gz UWUXIAGWRYJIET-JGVFFNPUSA-N -1 0 310.339 -0.316 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@@H](C)n1cncn1)NC(=O)c1cn[nH]n1 ZINC001457604180 1008550233 /nfs/dbraw/zinc/55/02/33/1008550233.db2.gz QWPQASPEJOPJFA-ZJUUUORDSA-N -1 0 320.357 -0.472 20 0 DBADRM CN(C)Cc1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)no1 ZINC001457597373 1008552296 /nfs/dbraw/zinc/55/22/96/1008552296.db2.gz ZKAFXOLVQMVWKD-UHFFFAOYSA-N -1 0 314.327 -0.490 20 0 DBADRM O=C(CCCc1nnn[n-]1)NC1CCN([C@@H]2CCOC2=O)CC1 ZINC001446603959 1008601705 /nfs/dbraw/zinc/60/17/05/1008601705.db2.gz WNYAVGFLUBFOLM-LLVKDONJSA-N -1 0 322.369 -0.582 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1ccoc1C1(O)CCOCC1 ZINC001446602482 1008606346 /nfs/dbraw/zinc/60/63/46/1008606346.db2.gz DXZXOTZIRNNNAV-UHFFFAOYSA-N -1 0 309.278 -0.116 20 0 DBADRM CC[C@@H](F)C(=O)N(C)CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001457817068 1008636918 /nfs/dbraw/zinc/63/69/18/1008636918.db2.gz FVAAWVJZWCXSOF-MRVPVSSYSA-N -1 0 317.321 -0.646 20 0 DBADRM CCC(CC)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001446739026 1008734894 /nfs/dbraw/zinc/73/48/94/1008734894.db2.gz RYUXDHDEGDTZII-AWEZNQCLSA-N -1 0 311.386 -0.001 20 0 DBADRM Cc1c[nH]cc1C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001446798333 1008805124 /nfs/dbraw/zinc/80/51/24/1008805124.db2.gz WDGIPQXCYLSTEM-AWEZNQCLSA-N -1 0 320.353 -0.486 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1nccs1 ZINC001446811088 1008807779 /nfs/dbraw/zinc/80/77/79/1008807779.db2.gz SKNLUZDELCODQL-LBPRGKRZSA-N -1 0 324.366 -0.666 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN2CCOc3cccc1c32 ZINC001446879285 1008834101 /nfs/dbraw/zinc/83/41/01/1008834101.db2.gz JNPAPIQJNKCCPO-UHFFFAOYSA-N -1 0 317.305 -0.065 20 0 DBADRM C[C@@H](CNC(=O)C1(CF)CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001458486913 1008841222 /nfs/dbraw/zinc/84/12/22/1008841222.db2.gz FCWOQZAPZOTDRU-LURJTMIESA-N -1 0 313.289 -0.733 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@]2(C)CCC(=O)N2)c1[O-] ZINC001458530316 1008844018 /nfs/dbraw/zinc/84/40/18/1008844018.db2.gz QPPRNOXVVWCEAS-WJWGPLDTSA-N -1 0 323.353 -0.673 20 0 DBADRM CCC(=O)NC[C@@H]1CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001458625988 1008848830 /nfs/dbraw/zinc/84/88/30/1008848830.db2.gz GGOKWNZGOXBBRY-VIFPVBQESA-N -1 0 318.337 -0.802 20 0 DBADRM CC(C)C(=O)NC[C@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001458638360 1008850573 /nfs/dbraw/zinc/85/05/73/1008850573.db2.gz HWUGKDZAUAYHJT-SECBINFHSA-N -1 0 308.338 -0.527 20 0 DBADRM NC(=O)CO[N-]C(=O)CNC(=O)Nc1cccc(Cl)c1 ZINC001446950448 1008858219 /nfs/dbraw/zinc/85/82/19/1008858219.db2.gz IBJKLXQXIJDXMN-UHFFFAOYSA-N -1 0 300.702 -0.005 20 0 DBADRM Cc1nc(-c2ccn(C)n2)sc1CC(=O)[N-]OCC(N)=O ZINC001446957100 1008859978 /nfs/dbraw/zinc/85/99/78/1008859978.db2.gz QZMQNIYZDCZIDZ-UHFFFAOYSA-N -1 0 309.351 -0.072 20 0 DBADRM CC(=O)N[C@@]1(CO)CCCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001446994665 1008867512 /nfs/dbraw/zinc/86/75/12/1008867512.db2.gz AXTLWKYILWSUPD-HNNXBMFYSA-N -1 0 319.365 -0.514 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)C3=COCCO3)CC2)c1[O-] ZINC001458850165 1008886377 /nfs/dbraw/zinc/88/63/77/1008886377.db2.gz ZTEPRHXBVNKHDC-UHFFFAOYSA-N -1 0 322.321 -0.309 20 0 DBADRM O=C(CCc1nnn[n-]1)Nc1cccc(CN2CCOCC2)n1 ZINC001447124809 1008901984 /nfs/dbraw/zinc/90/19/84/1008901984.db2.gz UBHGSZMBIWTHPK-UHFFFAOYSA-N -1 0 317.353 -0.002 20 0 DBADRM Cc1cc(=O)c(C(=O)NCC2(NC(=O)c3cn[nH]n3)CC2)c[nH]1 ZINC001459090699 1008943453 /nfs/dbraw/zinc/94/34/53/1008943453.db2.gz BTPSTNXTVKSBIQ-UHFFFAOYSA-N -1 0 316.321 -0.506 20 0 DBADRM C[C@H](CN(C)C(=O)c1cn(C[C@@H]2CCOC2)nn1)c1nnn[n-]1 ZINC001447363895 1009047812 /nfs/dbraw/zinc/04/78/12/1009047812.db2.gz OXKMGUQMUSKMQM-ZJUUUORDSA-N -1 0 320.357 -0.297 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cn(C[C@@H]2CCOC2)nn1)c1nnn[n-]1 ZINC001447363884 1009051720 /nfs/dbraw/zinc/05/17/20/1009051720.db2.gz OXKMGUQMUSKMQM-UWVGGRQHSA-N -1 0 320.357 -0.297 20 0 DBADRM CCOC(=O)[C@@](C)(O)CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001447380608 1009056155 /nfs/dbraw/zinc/05/61/55/1009056155.db2.gz KZUDAEDIHQYDBU-JTQLQIEISA-N -1 0 304.328 -0.967 20 0 DBADRM CCC1(CC)CNC(=O)[C@H]1NCc1cc(=O)n2[n-]c(N)nc2n1 ZINC001460826525 1009119378 /nfs/dbraw/zinc/11/93/78/1009119378.db2.gz NTAMFOUUOKHISJ-SNVBAGLBSA-N -1 0 319.369 -0.606 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001463161142 1009196843 /nfs/dbraw/zinc/19/68/43/1009196843.db2.gz GQICQRFXBUJQHF-UHFFFAOYSA-N -1 0 320.280 -0.221 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC001463162943 1009197122 /nfs/dbraw/zinc/19/71/22/1009197122.db2.gz VZINVPFLCJEGQH-MRVPVSSYSA-N -1 0 312.326 -0.967 20 0 DBADRM COCC(COC)S(=O)(=O)[N-][C@@](C)(COC)C(=O)OC ZINC001463321411 1009204952 /nfs/dbraw/zinc/20/49/52/1009204952.db2.gz CIKXWJUTSXOIND-NSHDSACASA-N -1 0 313.372 -0.855 20 0 DBADRM Cc1cnccc1/C=C\C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001447644726 1009211469 /nfs/dbraw/zinc/21/14/69/1009211469.db2.gz JXPJVKGKOHSWNS-ARJAWSKDSA-N -1 0 311.363 -0.015 20 0 DBADRM COCCO[C@H]1COCC[C@@H]1NS(=O)(=O)c1ncc[n-]1 ZINC001463539387 1009228463 /nfs/dbraw/zinc/22/84/63/1009228463.db2.gz WITYNIUKRACQJL-UWVGGRQHSA-N -1 0 305.356 -0.492 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)CCc2nnn[n-]2)ccc1C ZINC001463645004 1009234685 /nfs/dbraw/zinc/23/46/85/1009234685.db2.gz VFNDORCELPOAOA-UHFFFAOYSA-N -1 0 324.366 -0.012 20 0 DBADRM Cn1cc(S(=O)(=O)NCCC[C@@H]2CCOC2)c(=O)[nH]c1=O ZINC001463707671 1009237886 /nfs/dbraw/zinc/23/78/86/1009237886.db2.gz DZZRVBCLVHLLHA-SECBINFHSA-N -1 0 317.367 -0.419 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NCc1nc(=O)o[n-]1 ZINC001463821878 1009249475 /nfs/dbraw/zinc/24/94/75/1009249475.db2.gz YEHCVKVVZULFTH-SFHVURJKSA-N -1 0 312.373 -0.406 20 0 DBADRM C[C@H]1CC(=O)NN1C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001463970272 1009267068 /nfs/dbraw/zinc/26/70/68/1009267068.db2.gz NSLFOMZDIRNQAN-ZETCQYMHSA-N -1 0 303.278 -0.468 20 0 DBADRM COC(=O)CNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001463941659 1009267493 /nfs/dbraw/zinc/26/74/93/1009267493.db2.gz FGHDRMJXFJPBIE-UHFFFAOYSA-N -1 0 305.294 -0.525 20 0 DBADRM CCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCS(=O)(=O)C1 ZINC001463969529 1009268124 /nfs/dbraw/zinc/26/81/24/1009268124.db2.gz YZISWIXPUHWZIR-ZETCQYMHSA-N -1 0 316.339 -0.678 20 0 DBADRM Cc1nnc(CC(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)[nH]1 ZINC001447735722 1009275254 /nfs/dbraw/zinc/27/52/54/1009275254.db2.gz RRNDGIGMZNSGMO-UHFFFAOYSA-N -1 0 300.282 -0.024 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)NC1(CC(=O)[O-])CCC1 ZINC001598365182 1017257077 /nfs/dbraw/zinc/25/70/77/1017257077.db2.gz JPDRCGMIXVBXEB-UHFFFAOYSA-N -1 0 321.337 -0.005 20 0 DBADRM CN(C)c1cccnc1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001598341585 1017257129 /nfs/dbraw/zinc/25/71/29/1017257129.db2.gz DDMVDZDJVRMUEZ-UHFFFAOYSA-N -1 0 304.310 -0.133 20 0 DBADRM CN(C)c1ccccc1NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001598342370 1017257689 /nfs/dbraw/zinc/25/76/89/1017257689.db2.gz YOQJHPSNORQGOB-UHFFFAOYSA-N -1 0 307.306 -0.651 20 0 DBADRM CN(C)c1n[nH]c(CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC001598365179 1017258086 /nfs/dbraw/zinc/25/80/86/1017258086.db2.gz JOOXHZJMICUBLY-SFYZADRCSA-N -1 0 317.371 -0.457 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)NCCS(N)(=O)=O)cc2=O)cc1 ZINC001464230279 1009294892 /nfs/dbraw/zinc/29/48/92/1009294892.db2.gz AWTAODQCWZQVJV-UHFFFAOYSA-N -1 0 324.362 -0.508 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)c2ccnc(C(=O)[O-])c2)n1 ZINC001598354837 1017258249 /nfs/dbraw/zinc/25/82/49/1017258249.db2.gz SPUOPKJPDSPYTP-UHFFFAOYSA-N -1 0 318.293 -0.030 20 0 DBADRM CN(C)c1noc(CCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC001598365203 1017258448 /nfs/dbraw/zinc/25/84/48/1017258448.db2.gz KKPFNLSVQFUBOB-VIFPVBQESA-N -1 0 312.326 -0.230 20 0 DBADRM CN(C)c1noc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)n1 ZINC001598364620 1017258517 /nfs/dbraw/zinc/25/85/17/1017258517.db2.gz NOPALVMLPHTWTF-SFYZADRCSA-N -1 0 313.314 -0.887 20 0 DBADRM C[C@H](CNC(=O)c1ccsc1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001447769028 1009298561 /nfs/dbraw/zinc/29/85/61/1009298561.db2.gz HGKOZLZIAPDEKK-ZCFIWIBFSA-N -1 0 323.334 -0.107 20 0 DBADRM NC(=O)NC[C@@H]1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001464197599 1009298989 /nfs/dbraw/zinc/29/89/89/1009298989.db2.gz MUWYTPWHLOALPV-ZETCQYMHSA-N -1 0 314.371 -0.491 20 0 DBADRM CN(C1CS(=O)(=O)C1)[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001598376319 1017260198 /nfs/dbraw/zinc/26/01/98/1017260198.db2.gz QPLZPMHBEDAZIN-JTQLQIEISA-N -1 0 304.368 -0.819 20 0 DBADRM CN(CC(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1)S(C)(=O)=O ZINC001598384695 1017260695 /nfs/dbraw/zinc/26/06/95/1017260695.db2.gz ARZAKXZYMSEGOT-NSHDSACASA-N -1 0 316.335 -0.475 20 0 DBADRM CN(CC(=O)N[C@H](CO)C(=O)[O-])C(=O)OCc1ccccc1 ZINC001598386916 1017261418 /nfs/dbraw/zinc/26/14/18/1017261418.db2.gz JNVONRCEUVRYCI-LLVKDONJSA-N -1 0 310.306 -0.183 20 0 DBADRM COc1ccc(CNC(=O)CNC(=O)CCc2nnn[n-]2)cc1 ZINC001464476425 1009316597 /nfs/dbraw/zinc/31/65/97/1009316597.db2.gz MSVQXIRNYUKQIE-UHFFFAOYSA-N -1 0 318.337 -0.427 20 0 DBADRM CN(CC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC001598378845 1017261698 /nfs/dbraw/zinc/26/16/98/1017261698.db2.gz FJOQJNHCWROQON-GARJFASQSA-N -1 0 318.395 -0.573 20 0 DBADRM CN(C[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)c1ccc[nH]1 ZINC001598437312 1017269201 /nfs/dbraw/zinc/26/92/01/1017269201.db2.gz VYZWNZWJMKDZJP-VIFPVBQESA-N -1 0 319.321 -0.530 20 0 DBADRM CN(CC(=O)NC1(C(=O)[O-])CCC1)c1ncnc2nc[nH]c21 ZINC001598386853 1017261901 /nfs/dbraw/zinc/26/19/01/1017261901.db2.gz MJHSCIMJZKCULN-UHFFFAOYSA-N -1 0 304.310 -0.087 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@]1(C)CCNC1=O ZINC001464648219 1009331320 /nfs/dbraw/zinc/33/13/20/1009331320.db2.gz ZCDMXCYHFHKCNM-NSHDSACASA-N -1 0 302.308 -0.377 20 0 DBADRM CN(CC(=O)NCc1ccco1)C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001598392929 1017264907 /nfs/dbraw/zinc/26/49/07/1017264907.db2.gz VGGNPRGVPAEPBA-UHFFFAOYSA-N -1 0 320.305 -0.051 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@]1(C)CCNC1=O ZINC001464648218 1009332889 /nfs/dbraw/zinc/33/28/89/1009332889.db2.gz ZCDMXCYHFHKCNM-LLVKDONJSA-N -1 0 302.308 -0.377 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(S(=O)(=O)c2ccccc2[O-])C1 ZINC001464696424 1009334320 /nfs/dbraw/zinc/33/43/20/1009334320.db2.gz DJVXGXWZTISEPC-SECBINFHSA-N -1 0 320.392 -0.309 20 0 DBADRM CN(CC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC001598396912 1017265137 /nfs/dbraw/zinc/26/51/37/1017265137.db2.gz XTDJENVKEAAKDS-OPRDCNLKSA-N -1 0 304.368 -0.915 20 0 DBADRM CN(CC(=O)Nc1nc(CC(=O)[O-])cs1)[C@@H]1CCNC1=O ZINC001598399708 1017265152 /nfs/dbraw/zinc/26/51/52/1017265152.db2.gz NFUUXVJMIKUBGD-MRVPVSSYSA-N -1 0 312.351 -0.471 20 0 DBADRM CN(CC1CC1)C(=O)CN1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598448401 1017268950 /nfs/dbraw/zinc/26/89/50/1017268950.db2.gz PYIUUXQDHRRPTR-STQMWFEESA-N -1 0 323.393 -0.377 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc(C(=O)OC)s1 ZINC001464699415 1009336452 /nfs/dbraw/zinc/33/64/52/1009336452.db2.gz XOIYGBYYNSJSBX-UHFFFAOYSA-N -1 0 308.337 -0.509 20 0 DBADRM CN(C[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)[C@H]1CCCO1 ZINC001598435234 1017266661 /nfs/dbraw/zinc/26/66/61/1017266661.db2.gz DJAOLKIFCLDBJC-VHSXEESVSA-N -1 0 324.337 -0.993 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001464821477 1009342999 /nfs/dbraw/zinc/34/29/99/1009342999.db2.gz SDEIZMOSIXVNDP-QMMMGPOBSA-N -1 0 301.310 -0.965 20 0 DBADRM CN(CC(C)(C)C)C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001598420140 1017267136 /nfs/dbraw/zinc/26/71/36/1017267136.db2.gz TUDOXKPSPNCVTN-UHFFFAOYSA-N -1 0 315.370 -0.412 20 0 DBADRM O=C(c1c[nH]nc1[C@@H]1CCCO1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001464886171 1009352731 /nfs/dbraw/zinc/35/27/31/1009352731.db2.gz VDQXEHQYXFJZKP-UWVGGRQHSA-N -1 0 319.325 -0.012 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCCc2nncn2C)cc1=O ZINC001464971035 1009358773 /nfs/dbraw/zinc/35/87/73/1009358773.db2.gz UDZGBOGHYVWWLC-UHFFFAOYSA-N -1 0 306.370 -0.138 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CCCS(=O)(=O)C1 ZINC001465169005 1009360177 /nfs/dbraw/zinc/36/01/77/1009360177.db2.gz MXYQPZWUYKQRAS-LURJTMIESA-N -1 0 306.369 -0.704 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)C[C@H]2COC(=O)C2)c1[O-] ZINC001447871955 1009361623 /nfs/dbraw/zinc/36/16/23/1009361623.db2.gz MGMCOSLOQWAVTE-IONNQARKSA-N -1 0 324.337 -0.389 20 0 DBADRM CCN(CC)C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001465232811 1009364659 /nfs/dbraw/zinc/36/46/59/1009364659.db2.gz PBQKRSVDXMZSMY-UHFFFAOYSA-N -1 0 324.341 -0.498 20 0 DBADRM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC001465345101 1009370701 /nfs/dbraw/zinc/37/07/01/1009370701.db2.gz CCOSPUJHORCWRO-RKDXNWHRSA-N -1 0 324.337 -0.325 20 0 DBADRM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC001465345099 1009371896 /nfs/dbraw/zinc/37/18/96/1009371896.db2.gz CCOSPUJHORCWRO-DTWKUNHWSA-N -1 0 324.337 -0.325 20 0 DBADRM Cn1cc(N2CCN(C(=O)c3c[n-]ncc3=O)CC2=O)cn1 ZINC001465583170 1009380633 /nfs/dbraw/zinc/38/06/33/1009380633.db2.gz JXTBEZHRCPMDAI-UHFFFAOYSA-N -1 0 302.294 -0.595 20 0 DBADRM C[S@](=O)c1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC001465707692 1009384402 /nfs/dbraw/zinc/38/44/02/1009384402.db2.gz RRTUXAGUIQXTRO-NRFANRHFSA-N -1 0 308.319 -0.050 20 0 DBADRM C[S@@](=O)c1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC001465707693 1009386017 /nfs/dbraw/zinc/38/60/17/1009386017.db2.gz RRTUXAGUIQXTRO-OAQYLSRUSA-N -1 0 308.319 -0.050 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)CCc1nnn[n-]1)CC2 ZINC001465839191 1009387272 /nfs/dbraw/zinc/38/72/72/1009387272.db2.gz JZIJZXCUTWJBLY-MRVPVSSYSA-N -1 0 306.330 -0.999 20 0 DBADRM COc1cc(CCNC(=O)Cn2c(=O)[n-][nH]c2=O)ccc1O ZINC001465979296 1009392042 /nfs/dbraw/zinc/39/20/42/1009392042.db2.gz QOXRVIAXFGCWTA-UHFFFAOYSA-N -1 0 308.294 -0.238 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001466078068 1009396163 /nfs/dbraw/zinc/39/61/63/1009396163.db2.gz PLKQBKYAKFJTKG-SSDOTTSWSA-N -1 0 318.355 -0.361 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCSC[C@H]1CO ZINC001466168832 1009407803 /nfs/dbraw/zinc/40/78/03/1009407803.db2.gz AEAONTOKSIGXLE-MRVPVSSYSA-N -1 0 322.346 -0.014 20 0 DBADRM O=C(CCCc1nnn[n-]1)NC[C@@H]1CCCCS1(=O)=O ZINC001466355367 1009418698 /nfs/dbraw/zinc/41/86/98/1009418698.db2.gz YOMNIHQIZOWMQN-VIFPVBQESA-N -1 0 301.372 -0.394 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1COc2ccccc2[C@H]1O ZINC001466547023 1009428672 /nfs/dbraw/zinc/42/86/72/1009428672.db2.gz BJIMNUZTRAMXCM-MWLCHTKSSA-N -1 0 304.310 -0.269 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC001466547206 1009428928 /nfs/dbraw/zinc/42/89/28/1009428928.db2.gz JCSYPRQHQIMWAH-UHFFFAOYSA-N -1 0 305.224 -0.427 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCCC[C@@H]1COC(=O)NC ZINC001466547385 1009429184 /nfs/dbraw/zinc/42/91/84/1009429184.db2.gz OTSUOOSTNARPPY-SECBINFHSA-N -1 0 311.346 -0.143 20 0 DBADRM CCNC(=O)CCC(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1 ZINC001466546184 1009429641 /nfs/dbraw/zinc/42/96/41/1009429641.db2.gz SKGGDLIAVUUWCS-UHFFFAOYSA-N -1 0 315.351 -0.106 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1ccc(CC(N)=O)cc1 ZINC001466547488 1009430390 /nfs/dbraw/zinc/43/03/90/1009430390.db2.gz UDQTWLYPSVVQII-UHFFFAOYSA-N -1 0 303.326 -0.536 20 0 DBADRM COCC1(O)CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001466598869 1009431759 /nfs/dbraw/zinc/43/17/59/1009431759.db2.gz GLAXEPGOXFWFEN-UHFFFAOYSA-N -1 0 321.337 -0.929 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N(C)C[C@@H](C)c2nnn[n-]2)C[C@H]1C ZINC001466678084 1009436268 /nfs/dbraw/zinc/43/62/68/1009436268.db2.gz VKBINEQXTUGHIC-ZYUZMQFOSA-N -1 0 311.342 -0.272 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001447995123 1009440541 /nfs/dbraw/zinc/44/05/41/1009440541.db2.gz LCXCKLPDOKIXDR-SECBINFHSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@H]1CCS(=O)(=O)CCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001466860018 1009451418 /nfs/dbraw/zinc/45/14/18/1009451418.db2.gz AWZMQVVELJWWNG-VIFPVBQESA-N -1 0 324.362 -0.328 20 0 DBADRM CCCC[C@H](O)CCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001466838194 1009452847 /nfs/dbraw/zinc/45/28/47/1009452847.db2.gz UBFORHJWXGUZBE-JTQLQIEISA-N -1 0 308.400 -0.100 20 0 DBADRM C[C@H](CNC(=O)C[C@@](C)(O)C1CC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448014168 1009463409 /nfs/dbraw/zinc/46/34/09/1009463409.db2.gz OTEBVPJAPSULNM-YMTOWFKASA-N -1 0 311.386 -0.002 20 0 DBADRM C[C@H](CNC(=O)C[C@](C)(O)C1CC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448014157 1009463938 /nfs/dbraw/zinc/46/39/38/1009463938.db2.gz OTEBVPJAPSULNM-OTYXRUKQSA-N -1 0 311.386 -0.002 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1cccc2c1N(C)C(=O)CO2 ZINC001467215826 1009472657 /nfs/dbraw/zinc/47/26/57/1009472657.db2.gz WJBVNWOYVAZXCO-UHFFFAOYSA-N -1 0 308.294 -0.159 20 0 DBADRM O=C(NCCc1n[n-]c(=S)o1)[C@@H]1CCCCS1(=O)=O ZINC001467315071 1009483224 /nfs/dbraw/zinc/48/32/24/1009483224.db2.gz VGZSTCYWYAXNGZ-ZETCQYMHSA-N -1 0 305.381 -0.016 20 0 DBADRM COC(=O)C(C)(C)N1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001467316629 1009485653 /nfs/dbraw/zinc/48/56/53/1009485653.db2.gz SCJVEWXMPNQVSO-UHFFFAOYSA-N -1 0 310.358 -0.772 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC001467350422 1009486910 /nfs/dbraw/zinc/48/69/10/1009486910.db2.gz SMAUAKCVPTUBQZ-YFKPBYRVSA-N -1 0 310.232 -0.246 20 0 DBADRM CCc1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)nn1C ZINC001467456933 1009494260 /nfs/dbraw/zinc/49/42/60/1009494260.db2.gz YJBACHJCMMBKOW-UHFFFAOYSA-N -1 0 305.342 -0.381 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)C[C@H]2CCC(=O)N2)c1[O-] ZINC001448050122 1009495602 /nfs/dbraw/zinc/49/56/02/1009495602.db2.gz ABEGCJHFXIOJER-VXNVDRBHSA-N -1 0 323.353 -0.673 20 0 DBADRM O=C(Cn1cc(Cl)cn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001467455231 1009497254 /nfs/dbraw/zinc/49/72/54/1009497254.db2.gz CFBQIBGXVZUQKW-UHFFFAOYSA-N -1 0 311.733 -0.440 20 0 DBADRM Cc1cc(N2CCC[C@@H](NC(=O)CCc3nnn[n-]3)C2)n(C)n1 ZINC001467609664 1009508889 /nfs/dbraw/zinc/50/88/89/1009508889.db2.gz SGTAFDSBFAFTRW-LLVKDONJSA-N -1 0 318.385 -0.041 20 0 DBADRM CC(C)OC(=O)CC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001467710023 1009516645 /nfs/dbraw/zinc/51/66/45/1009516645.db2.gz ILPVERCCCFMPRB-QMMMGPOBSA-N -1 0 300.315 -0.074 20 0 DBADRM CCOC(=O)[C@H]1CSCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001467755753 1009516848 /nfs/dbraw/zinc/51/68/48/1009516848.db2.gz XXHGVSSNZVYSDB-RXMQYKEDSA-N -1 0 300.296 -0.639 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001448082479 1009517413 /nfs/dbraw/zinc/51/74/13/1009517413.db2.gz TWZWNGGXYYNSDP-ZETCQYMHSA-N -1 0 320.275 -0.341 20 0 DBADRM CC[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H](C)S1(=O)=O ZINC001467868452 1009526065 /nfs/dbraw/zinc/52/60/65/1009526065.db2.gz DGORZJFXWDRUNI-SFYZADRCSA-N -1 0 318.355 -0.887 20 0 DBADRM C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001467907071 1009529675 /nfs/dbraw/zinc/52/96/75/1009529675.db2.gz KGOVIVXYLAQLMN-WDSKDSINSA-N -1 0 310.232 -0.133 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H](C)[S@]1=O ZINC001467925808 1009531502 /nfs/dbraw/zinc/53/15/02/1009531502.db2.gz PKFSMSDQOFMRMJ-SEJYDQARSA-N -1 0 302.356 -0.553 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC001468074222 1009539364 /nfs/dbraw/zinc/53/93/64/1009539364.db2.gz XOLBVUMWGZMPFM-RQJHMYQMSA-N -1 0 314.323 -0.926 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)c1cccc(C(=O)[O-])n1 ZINC001598437347 1017269643 /nfs/dbraw/zinc/26/96/43/1017269643.db2.gz WZQZGSRHFPZVHS-LLVKDONJSA-N -1 0 323.349 -0.455 20 0 DBADRM CN(CC1(C)COC1)C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001598442008 1017270041 /nfs/dbraw/zinc/27/00/41/1017270041.db2.gz KQXFDQUGNUTAJN-FTGAXOIBSA-N -1 0 310.350 -0.149 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)COc1cccnc1 ZINC001598489791 1017282344 /nfs/dbraw/zinc/28/23/44/1017282344.db2.gz XRKWOKFDHVKQIF-NWDGAFQWSA-N -1 0 321.333 -0.244 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)CCc1cnccn1 ZINC001598489089 1017282394 /nfs/dbraw/zinc/28/23/94/1017282394.db2.gz LCZLLTWWSJPBLS-NWDGAFQWSA-N -1 0 320.349 -0.296 20 0 DBADRM CCn1ncn(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)c1=O ZINC001468547162 1009571162 /nfs/dbraw/zinc/57/11/62/1009571162.db2.gz HJVMNVPLZYFVFD-UHFFFAOYSA-N -1 0 308.342 -0.477 20 0 DBADRM O=C(N[C@@H]1COC(=O)C1)c1nc[n-]c(=O)c1Br ZINC001468560376 1009572102 /nfs/dbraw/zinc/57/21/02/1009572102.db2.gz XAMNGUVXVTZJQR-BYPYZUCNSA-N -1 0 302.084 -0.010 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC001598470533 1017271743 /nfs/dbraw/zinc/27/17/43/1017271743.db2.gz NKSMFQCPMDBWDW-QWRGUYRKSA-N -1 0 322.383 -0.483 20 0 DBADRM CN(CCC(=O)N(C)CC(=O)[O-])Cc1ncnn1CC(F)F ZINC001598468842 1017272450 /nfs/dbraw/zinc/27/24/50/1017272450.db2.gz LZDGIVAHZODHQF-UHFFFAOYSA-N -1 0 319.312 -0.092 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@@H](OCCO)C1 ZINC001598470992 1017272488 /nfs/dbraw/zinc/27/24/88/1017272488.db2.gz RXTOBTHFTFXGPO-SNVBAGLBSA-N -1 0 310.372 -0.889 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[S@@](=O)CC1(C)C ZINC001598471161 1017272529 /nfs/dbraw/zinc/27/25/29/1017272529.db2.gz WJOFTWDGKDTTMM-GOSISDBHSA-N -1 0 312.413 -0.519 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CCNC2=O)CC1 ZINC001598470253 1017272950 /nfs/dbraw/zinc/27/29/50/1017272950.db2.gz CGWDNGMSDOOWOT-UHFFFAOYSA-N -1 0 319.383 -0.760 20 0 DBADRM CN(C[C@H]1CCN(C(=O)CC(N)=O)C1)c1ncc(C(=O)[O-])cn1 ZINC001598461532 1017273135 /nfs/dbraw/zinc/27/31/35/1017273135.db2.gz HTJACLFWAPVSSF-SECBINFHSA-N -1 0 321.337 -0.665 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001598467378 1017273177 /nfs/dbraw/zinc/27/31/77/1017273177.db2.gz LFUBGBPUBRXBJI-OUAUKWLOSA-N -1 0 314.338 -0.770 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC001598470229 1017273235 /nfs/dbraw/zinc/27/32/35/1017273235.db2.gz RTMMAGZQMVLUMR-OWUUHHOZSA-N -1 0 322.383 -0.090 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1n[nH]c2c1CCC2 ZINC001598489364 1017282431 /nfs/dbraw/zinc/28/24/31/1017282431.db2.gz OLFYNTPENDVXCP-VHSXEESVSA-N -1 0 320.349 -0.193 20 0 DBADRM CN(CCCCO)C(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001598476444 1017274582 /nfs/dbraw/zinc/27/45/82/1017274582.db2.gz ZMOFRIREWWKACP-MNOVXSKESA-N -1 0 300.355 -0.023 20 0 DBADRM CN(CCCC(=O)N[C@@](C)(CO)C(=O)[O-])C(=O)c1ccncc1 ZINC001598472374 1017274868 /nfs/dbraw/zinc/27/48/68/1017274868.db2.gz QDUOIIPAOHNXSR-HNNXBMFYSA-N -1 0 323.349 -0.114 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001598473709 1017275037 /nfs/dbraw/zinc/27/50/37/1017275037.db2.gz IHOQPRKMVMIFCR-QWRGUYRKSA-N -1 0 308.338 -0.261 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC001598471470 1017275047 /nfs/dbraw/zinc/27/50/47/1017275047.db2.gz ORFQYFRYYLIYJS-JTQLQIEISA-N -1 0 319.383 -0.619 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)Cc1ncc[nH]1 ZINC001598477372 1017275085 /nfs/dbraw/zinc/27/50/85/1017275085.db2.gz MUWDSTMDQSAIPX-MNOVXSKESA-N -1 0 322.365 -0.020 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001598477535 1017275637 /nfs/dbraw/zinc/27/56/37/1017275637.db2.gz QACIOTQPYHYRTI-OBPIAQAESA-N -1 0 324.377 -0.094 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1ncn(C)n1 ZINC001598479377 1017275762 /nfs/dbraw/zinc/27/57/62/1017275762.db2.gz IZAVYCSJCLLSNT-DTWKUNHWSA-N -1 0 309.326 -0.886 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)CCn1cccn1 ZINC001598480543 1017276497 /nfs/dbraw/zinc/27/64/97/1017276497.db2.gz WTDFYGVCXYWSNG-NEPJUHHUSA-N -1 0 322.365 -0.041 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)CCc1nnc[nH]1 ZINC001598479972 1017277196 /nfs/dbraw/zinc/27/71/96/1017277196.db2.gz PHPLVWFMHUWMCP-NXEZZACHSA-N -1 0 323.353 -0.577 20 0 DBADRM CN(CCCNC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC001598480096 1017277334 /nfs/dbraw/zinc/27/73/34/1017277334.db2.gz DGSURTGDIKPCMS-AOOOYVTPSA-N -1 0 321.399 -0.228 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1ccn(C)n1 ZINC001598480196 1017277697 /nfs/dbraw/zinc/27/76/97/1017277697.db2.gz SQODZQBHEZILPS-VHSXEESVSA-N -1 0 308.338 -0.281 20 0 DBADRM CN(CCCNC(=O)[C@@H]1CCNC1=O)c1ccnc(C(=O)[O-])n1 ZINC001598479952 1017277848 /nfs/dbraw/zinc/27/78/48/1017277848.db2.gz OXFNPNWZTGPMFP-VIFPVBQESA-N -1 0 321.337 -0.747 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)CCn1ccnc1 ZINC001598479771 1017277876 /nfs/dbraw/zinc/27/78/76/1017277876.db2.gz MIHYYWGTRZVEGW-VXGBXAGGSA-N -1 0 322.365 -0.041 20 0 DBADRM CN(CCCNC(=O)c1c[nH]c(=O)n1C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598481176 1017277884 /nfs/dbraw/zinc/27/78/84/1017277884.db2.gz IMVBEWJCOFGBDZ-IUCAKERBSA-N -1 0 324.337 -0.575 20 0 DBADRM CN(CCCNC(=O)c1cnnn1C)c1ccnc(C(=O)[O-])n1 ZINC001598481216 1017277934 /nfs/dbraw/zinc/27/79/34/1017277934.db2.gz JNXCAKBVWGBOQN-UHFFFAOYSA-N -1 0 319.325 -0.440 20 0 DBADRM CN(CCCNc1ncc(C(=O)[O-])cn1)C(=O)C(C)(C)C(N)=O ZINC001598482459 1017279923 /nfs/dbraw/zinc/27/99/23/1017279923.db2.gz BTRKNYUFZVLJCY-UHFFFAOYSA-N -1 0 323.353 -0.053 20 0 DBADRM CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)c1cccnn1 ZINC001598483627 1017280331 /nfs/dbraw/zinc/28/03/31/1017280331.db2.gz WYYHDKXDUJTICU-UHFFFAOYSA-N -1 0 316.321 -0.039 20 0 DBADRM CN(CCCNc1nccn2nnnc12)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598483103 1017280481 /nfs/dbraw/zinc/28/04/81/1017280481.db2.gz NHBKHSWJWJKNHI-BDAKNGLRSA-N -1 0 319.325 -0.500 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)C1=CCOCC1 ZINC001598486803 1017280549 /nfs/dbraw/zinc/28/05/49/1017280549.db2.gz WBZYJNIGSDGMHD-NWDGAFQWSA-N -1 0 310.350 -0.029 20 0 DBADRM CN(CCN1CCCC1=O)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598487749 1017282921 /nfs/dbraw/zinc/28/29/21/1017282921.db2.gz GHPBTYSIZNUFIK-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM CN(CCNC(=O)CCn1cccn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598489912 1017283045 /nfs/dbraw/zinc/28/30/45/1017283045.db2.gz BKUZIUQPGMMOLD-GHMZBOCLSA-N -1 0 308.338 -0.432 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@H](O)C(F)(F)C1 ZINC001469931963 1009703491 /nfs/dbraw/zinc/70/34/91/1009703491.db2.gz IWPYUIGIKLTCFW-ZETCQYMHSA-N -1 0 306.269 -0.302 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@@H](C)O1 ZINC001470113590 1009709953 /nfs/dbraw/zinc/70/99/53/1009709953.db2.gz BLKOTIFCJAZUMY-SCZZXKLOSA-N -1 0 320.305 -0.575 20 0 DBADRM CC1(C(=O)N2CC[C@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001448322505 1009711463 /nfs/dbraw/zinc/71/14/63/1009711463.db2.gz ZPOMLAMFQXTRDB-SECBINFHSA-N -1 0 323.353 -0.546 20 0 DBADRM C[C@@]1(CCC(=O)N2CCC(O)(c3nnn[n-]3)CC2)CCC(=O)N1 ZINC001448341512 1009724826 /nfs/dbraw/zinc/72/48/26/1009724826.db2.gz GCGZACQKPYWSQH-ZDUSSCGKSA-N -1 0 322.369 -0.541 20 0 DBADRM COc1nccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001448347219 1009730780 /nfs/dbraw/zinc/73/07/80/1009730780.db2.gz KHSUPRMBDPKQHX-UHFFFAOYSA-N -1 0 305.298 -0.878 20 0 DBADRM Cc1ccnc2nc(C(=O)[N-]N3C(=O)[C@@H](C)N(C)C3=O)nn21 ZINC001470307808 1009732693 /nfs/dbraw/zinc/73/26/93/1009732693.db2.gz IIWVUDSJKXGARS-SSDOTTSWSA-N -1 0 303.282 -0.640 20 0 DBADRM O=C([C@H]1CC12CCOCC2)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448354691 1009734024 /nfs/dbraw/zinc/73/40/24/1009734024.db2.gz XYJYZDYGMKRZSZ-SNVBAGLBSA-N -1 0 307.354 -0.174 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001448377482 1009741701 /nfs/dbraw/zinc/74/17/01/1009741701.db2.gz QNHOCSHSXCHDJL-KCJUWKMLSA-N -1 0 315.337 -0.671 20 0 DBADRM CN(C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1)c1nnn[n-]1 ZINC001470571140 1009763237 /nfs/dbraw/zinc/76/32/37/1009763237.db2.gz IBTBTRXCAGUCLB-IUCAKERBSA-N -1 0 320.334 -0.133 20 0 DBADRM CCNS(=O)(=O)c1ccc(C(=O)N(C)c2nnn[n-]2)cc1 ZINC001470567876 1009763917 /nfs/dbraw/zinc/76/39/17/1009763917.db2.gz QJNWRXNPLIYAGK-UHFFFAOYSA-N -1 0 310.339 -0.226 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC[C@H]1CCCS1(=O)=O ZINC001470702475 1009777265 /nfs/dbraw/zinc/77/72/65/1009777265.db2.gz QPOXNVJBWBXFHA-SECBINFHSA-N -1 0 307.372 -0.679 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC001470701037 1009779146 /nfs/dbraw/zinc/77/91/46/1009779146.db2.gz HMZRVRHKCNIQRM-SSDOTTSWSA-N -1 0 324.263 -0.252 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCN[C@@H](c2cn[nH]c2)C1 ZINC001470887062 1009791984 /nfs/dbraw/zinc/79/19/84/1009791984.db2.gz KWHVSWZUPAIHGH-SNVBAGLBSA-N -1 0 321.341 -0.634 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCN[C@H](c2cn[nH]c2)C1 ZINC001470887060 1009794009 /nfs/dbraw/zinc/79/40/09/1009794009.db2.gz KWHVSWZUPAIHGH-JTQLQIEISA-N -1 0 321.341 -0.634 20 0 DBADRM O=C(NC[C@@H](CO)[C@@H]1CCOC1)c1c[n-]n2c1nccc2=O ZINC001448484344 1009801239 /nfs/dbraw/zinc/80/12/39/1009801239.db2.gz YOISWWKNQWTNJQ-ZJUUUORDSA-N -1 0 306.322 -0.603 20 0 DBADRM COCC[C@@]1(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCOC1 ZINC001448489405 1009803043 /nfs/dbraw/zinc/80/30/43/1009803043.db2.gz PLRBJHCSQNATQA-CYBMUJFWSA-N -1 0 314.342 -0.219 20 0 DBADRM Cc1cn2nc(C(=O)N3CC[C@@H](c4nnn[n-]4)C3)cc2c(=O)[nH]1 ZINC001471459555 1009824374 /nfs/dbraw/zinc/82/43/74/1009824374.db2.gz HRSRHXSFISCDKK-MRVPVSSYSA-N -1 0 314.309 -0.526 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC001471483909 1009825758 /nfs/dbraw/zinc/82/57/58/1009825758.db2.gz ZLEREMATHLVGBA-HNNXBMFYSA-N -1 0 320.349 -0.497 20 0 DBADRM NC(=O)COc1cccc(C(=O)NC2(c3nnn[n-]3)CCC2)c1 ZINC001471659675 1009836955 /nfs/dbraw/zinc/83/69/55/1009836955.db2.gz OLERWHBNSZGSKJ-UHFFFAOYSA-N -1 0 316.321 -0.127 20 0 DBADRM O=C(CNC(=O)c1ccncc1)NC1(c2nnn[n-]2)CCC1 ZINC001471659855 1009837300 /nfs/dbraw/zinc/83/73/00/1009837300.db2.gz SFPHZHLHGNQFJL-UHFFFAOYSA-N -1 0 301.310 -0.480 20 0 DBADRM CCC(=O)NCCN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001448664964 1009841257 /nfs/dbraw/zinc/84/12/57/1009841257.db2.gz JTAORCWAOPHLTA-UHFFFAOYSA-N -1 0 306.326 -0.944 20 0 DBADRM CC(C)(O)[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001471698997 1009841639 /nfs/dbraw/zinc/84/16/39/1009841639.db2.gz VWDJTZXDWWKZQK-SECBINFHSA-N -1 0 305.338 -0.309 20 0 DBADRM O=C(NCC[C@@H]1CNC(=O)C1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001471749044 1009842852 /nfs/dbraw/zinc/84/28/52/1009842852.db2.gz LGODPBRHMMFYJE-ZETCQYMHSA-N -1 0 317.305 -0.308 20 0 DBADRM CC(C)CC(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001448683887 1009846729 /nfs/dbraw/zinc/84/67/29/1009846729.db2.gz SOWVECGYVIQVDF-UHFFFAOYSA-N -1 0 310.354 -0.280 20 0 DBADRM COC[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc21)c1nnn[n-]1 ZINC001471845026 1009848946 /nfs/dbraw/zinc/84/89/46/1009848946.db2.gz CGJQYSGPOUVNJW-WDEREUQCSA-N -1 0 316.321 -0.122 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001471935579 1009854678 /nfs/dbraw/zinc/85/46/78/1009854678.db2.gz WOJBXOZGDLGJGM-RITPCOANSA-N -1 0 306.369 -0.848 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001471951210 1009857264 /nfs/dbraw/zinc/85/72/64/1009857264.db2.gz GQCQAKGSGHRTQA-KZVJFYERSA-N -1 0 312.288 -0.310 20 0 DBADRM Cn1nccc1[C@@H](O)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001472041110 1009860906 /nfs/dbraw/zinc/86/09/06/1009860906.db2.gz KUKWEJAYUMALCK-JTQLQIEISA-N -1 0 302.294 -0.781 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCO[C@@H]2COCC[C@@H]21 ZINC001472081422 1009862913 /nfs/dbraw/zinc/86/29/13/1009862913.db2.gz MSVVVJBGPNDVKB-VHSXEESVSA-N -1 0 312.326 -0.514 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cn3c(n2)COCC3)C1=O ZINC001448751243 1009864818 /nfs/dbraw/zinc/86/48/18/1009864818.db2.gz GOOMNEPWAQIFTB-CYBMUJFWSA-N -1 0 307.310 -0.221 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cn3c(n2)COCC3)C1=O ZINC001448751315 1009864981 /nfs/dbraw/zinc/86/49/81/1009864981.db2.gz GOOMNEPWAQIFTB-ZDUSSCGKSA-N -1 0 307.310 -0.221 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)c1[O-] ZINC001472152768 1009869341 /nfs/dbraw/zinc/86/93/41/1009869341.db2.gz UQUYWQWRNGTYRT-MRVPVSSYSA-N -1 0 303.340 -0.691 20 0 DBADRM CCCNC(=O)[C@@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001472244206 1009874586 /nfs/dbraw/zinc/87/45/86/1009874586.db2.gz RQUTVTQAMOSLIE-SECBINFHSA-N -1 0 317.353 -0.281 20 0 DBADRM C[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1nn(C)cc1[O-] ZINC001472238069 1009874974 /nfs/dbraw/zinc/87/49/74/1009874974.db2.gz RSEOEASLCGMHJH-SSDOTTSWSA-N -1 0 309.326 -0.367 20 0 DBADRM CC(=O)c1cn(C2CN(C(=O)CSc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001472302933 1009879716 /nfs/dbraw/zinc/87/97/16/1009879716.db2.gz PEVILOJFJYGFNT-UHFFFAOYSA-N -1 0 323.338 -0.520 20 0 DBADRM COC(=O)[C@]1(CNC(=O)CSc2n[nH]c(=O)[n-]2)CCOC1 ZINC001472425883 1009885721 /nfs/dbraw/zinc/88/57/21/1009885721.db2.gz IZGQEWNAAYHKMB-NSHDSACASA-N -1 0 316.339 -0.702 20 0 DBADRM COC(=O)[C@@]1(CNC(=O)CSc2n[nH]c(=O)[n-]2)CCOC1 ZINC001472425882 1009886401 /nfs/dbraw/zinc/88/64/01/1009886401.db2.gz IZGQEWNAAYHKMB-LLVKDONJSA-N -1 0 316.339 -0.702 20 0 DBADRM COC(=O)c1c(NC(=O)c2ccn(C)n2)n[n-]c1OCCO ZINC001472585887 1009890501 /nfs/dbraw/zinc/89/05/01/1009890501.db2.gz LWDCYHMNRGITJZ-UHFFFAOYSA-N -1 0 309.282 -0.447 20 0 DBADRM Cc1ccncc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001448823509 1009899984 /nfs/dbraw/zinc/89/99/84/1009899984.db2.gz DIALXIOKFVGGAB-VIFPVBQESA-N -1 0 306.326 -0.906 20 0 DBADRM C[C@@H]1CCN(Cc2cc(=O)n3[n-]c(N)nc3n2)[C@@H](C(N)=O)C1 ZINC001473408781 1009916982 /nfs/dbraw/zinc/91/69/82/1009916982.db2.gz IENSIBFTTMEVAB-VXNVDRBHSA-N -1 0 305.342 -0.914 20 0 DBADRM Cc1cccc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)c1F ZINC001448828979 1009922640 /nfs/dbraw/zinc/92/26/40/1009922640.db2.gz WVONSQSIXJELTQ-VIFPVBQESA-N -1 0 323.328 -0.162 20 0 DBADRM Cc1cccc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)c1F ZINC001448828972 1009924509 /nfs/dbraw/zinc/92/45/09/1009924509.db2.gz WVONSQSIXJELTQ-SECBINFHSA-N -1 0 323.328 -0.162 20 0 DBADRM Cc1cc(CN[C@@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])no1 ZINC001448835980 1009943792 /nfs/dbraw/zinc/94/37/92/1009943792.db2.gz MEICCLKVHSSNHW-SNVBAGLBSA-N -1 0 309.326 -0.399 20 0 DBADRM Cc1cc(CN[C@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])nn1C ZINC001448848281 1009968254 /nfs/dbraw/zinc/96/82/54/1009968254.db2.gz ZGMQMXODCQINTB-NSHDSACASA-N -1 0 322.369 -0.654 20 0 DBADRM O=C(C[N-]S(=O)(=O)N=S1(=O)CCCC1)NCC1CC1 ZINC001475146209 1010001790 /nfs/dbraw/zinc/00/17/90/1010001790.db2.gz MLEYOJFVLMINNO-UHFFFAOYSA-N -1 0 309.413 -0.391 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]CC1(CO)COC1 ZINC001475121088 1010000367 /nfs/dbraw/zinc/00/03/67/1010000367.db2.gz RPNIUNJPLASONU-UHFFFAOYSA-N -1 0 300.402 -0.663 20 0 DBADRM CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001475178520 1010004429 /nfs/dbraw/zinc/00/44/29/1010004429.db2.gz UVHZOZSQOWKWGM-LURJTMIESA-N -1 0 323.758 -0.409 20 0 DBADRM C[S@](=O)(=NS(=O)(=O)[N-][C@@H]1COC[C@H]1O)c1ccccc1 ZINC001475303532 1010010866 /nfs/dbraw/zinc/01/08/66/1010010866.db2.gz PPDPVPNPBSYBDB-XCJKDKRRSA-N -1 0 320.392 -0.263 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001475249290 1010011934 /nfs/dbraw/zinc/01/19/34/1010011934.db2.gz NZVAIYPOZZUGNX-SECBINFHSA-N -1 0 307.397 -0.003 20 0 DBADRM Cn1nc2c(c1S(=O)(=O)NCc1nc(=O)o[n-]1)CCCC2 ZINC001475363728 1010021036 /nfs/dbraw/zinc/02/10/36/1010021036.db2.gz GFWLGOMNHWTEFJ-UHFFFAOYSA-N -1 0 313.339 -0.546 20 0 DBADRM CCON(C)C(=O)C[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001475459856 1010031648 /nfs/dbraw/zinc/03/16/48/1010031648.db2.gz XNIOLSWYAOHPBU-UHFFFAOYSA-N -1 0 320.323 -0.246 20 0 DBADRM O=C1NCCO[C@H]2CCCN(S(=O)(=O)c3ncc[n-]3)[C@H]12 ZINC001475609965 1010040761 /nfs/dbraw/zinc/04/07/61/1010040761.db2.gz BSIPRPVZBCGGJK-IUCAKERBSA-N -1 0 300.340 -0.922 20 0 DBADRM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2nnn(C)n2)cc1 ZINC001475644163 1010044442 /nfs/dbraw/zinc/04/44/42/1010044442.db2.gz FMOIODGHAJVAAX-UHFFFAOYSA-N -1 0 310.339 -0.006 20 0 DBADRM CC[C@@](COC)(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC001595199303 1017080690 /nfs/dbraw/zinc/08/06/90/1017080690.db2.gz AEEGEURRJFJHFE-LBPRGKRZSA-N -1 0 324.399 -0.189 20 0 DBADRM CC[C@@](COC)(NC(=O)c1coc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001595193023 1017080781 /nfs/dbraw/zinc/08/07/81/1017080781.db2.gz AGLLLHLETKPHEY-NSHDSACASA-N -1 0 320.323 -0.463 20 0 DBADRM CC[C@@](COC)(NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1)C(=O)[O-] ZINC001595194287 1017081176 /nfs/dbraw/zinc/08/11/76/1017081176.db2.gz NEGWZOXZBKMDCS-BREBYQMCSA-N -1 0 312.326 -0.417 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)C[C@@H]2CCNC2=O)c1[O-] ZINC001448916189 1010062550 /nfs/dbraw/zinc/06/25/50/1010062550.db2.gz QTZOTOUOBZEKEY-VIFPVBQESA-N -1 0 323.353 -0.862 20 0 DBADRM CCC[C@H](C(=O)N(C)[C@H](COC(C)C)C(=O)[O-])S(N)(=O)=O ZINC001595532445 1017089077 /nfs/dbraw/zinc/08/90/77/1017089077.db2.gz JUHWZJXPCZGEOC-NXEZZACHSA-N -1 0 324.399 -0.220 20 0 DBADRM CC[C@H](NC(=O)NCCOCC(=O)[O-])C(=O)N1CCOCC1 ZINC001595253657 1017082692 /nfs/dbraw/zinc/08/26/92/1017082692.db2.gz WQNIHSRBHVAOGV-JTQLQIEISA-N -1 0 317.342 -0.976 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC001476594998 1010073320 /nfs/dbraw/zinc/07/33/20/1010073320.db2.gz JMYMZQREHUZLBA-SNGHESPRSA-N -1 0 300.388 -0.074 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@H](S(C)(=O)=O)CC1 ZINC001476595030 1010073442 /nfs/dbraw/zinc/07/34/42/1010073442.db2.gz KHJCVGAJILIHHL-VIFPVBQESA-N -1 0 316.387 -0.454 20 0 DBADRM CC[C@@]1(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CCNC1=O ZINC001595365391 1017083259 /nfs/dbraw/zinc/08/32/59/1017083259.db2.gz SFODMWDKUGNOCJ-LKFCYVNXSA-N -1 0 321.337 -0.334 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001476594796 1010074669 /nfs/dbraw/zinc/07/46/69/1010074669.db2.gz BXSOBJBABNQUTP-RKDXNWHRSA-N -1 0 316.387 -0.408 20 0 DBADRM CC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001595355218 1017084337 /nfs/dbraw/zinc/08/43/37/1017084337.db2.gz RRBJIKWZWKTAQQ-KXUCPTDWSA-N -1 0 324.337 -0.735 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1ccc(C(=O)N(C)C)cn1 ZINC001476952120 1010082195 /nfs/dbraw/zinc/08/21/95/1010082195.db2.gz DKHIKXSVTRCUGO-UHFFFAOYSA-N -1 0 309.326 -0.027 20 0 DBADRM CC[C@H](OC)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001595354487 1017084606 /nfs/dbraw/zinc/08/46/06/1017084606.db2.gz XPWJOIKBZDOIOH-SMDDNHRTSA-N -1 0 300.355 -0.201 20 0 DBADRM CC[C@@H](OC)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001595354484 1017085136 /nfs/dbraw/zinc/08/51/36/1017085136.db2.gz XPWJOIKBZDOIOH-BXUZGUMPSA-N -1 0 300.355 -0.201 20 0 DBADRM CCC1(Cn2cc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)nn2)COC1 ZINC001595385214 1017085261 /nfs/dbraw/zinc/08/52/61/1017085261.db2.gz CWNXSZMMJIJQGM-AWEZNQCLSA-N -1 0 324.337 -0.322 20 0 DBADRM CC[C@@H]1CN(Cn2cnc(C(=O)[O-])n2)C[C@H](C)S1(=O)=O ZINC001595491471 1017089322 /nfs/dbraw/zinc/08/93/22/1017089322.db2.gz WXCZBGUHVRQEJP-DTWKUNHWSA-N -1 0 302.356 -0.169 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CCO1 ZINC001595472956 1017086010 /nfs/dbraw/zinc/08/60/10/1017086010.db2.gz WPCCEUJNQCWVGB-VWYCJHECSA-N -1 0 314.338 -0.676 20 0 DBADRM CC[C@@H]1CO[C@@H](CC)CN1C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001595471502 1017086609 /nfs/dbraw/zinc/08/66/09/1017086609.db2.gz QMPZMRMJHYPYTH-UTLUCORTSA-N -1 0 304.318 -0.059 20 0 DBADRM CC[C@@H]1CC[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])O1 ZINC001595414331 1017086672 /nfs/dbraw/zinc/08/66/72/1017086672.db2.gz CPBITMSNDXMALI-BBBLOLIVSA-N -1 0 305.352 -0.346 20 0 DBADRM CC[C@H](C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1)N1CCO[C@H](CC)C1 ZINC001595484523 1017086960 /nfs/dbraw/zinc/08/69/60/1017086960.db2.gz RTXNZBDAIPNDFL-BLTAXRJOSA-N -1 0 314.382 -0.030 20 0 DBADRM Cc1ccccc1CC(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001448950188 1010103173 /nfs/dbraw/zinc/10/31/73/1010103173.db2.gz YMFGLLGLIDWJLL-GFCCVEGCSA-N -1 0 319.365 -0.372 20 0 DBADRM CC[C@](COC)(NS(=O)(=O)CC1(C(=O)OC)CC1)C(=O)[O-] ZINC001595200064 1017080105 /nfs/dbraw/zinc/08/01/05/1017080105.db2.gz SMCJOIKFYLOTKT-GFCCVEGCSA-N -1 0 323.367 -0.261 20 0 DBADRM CC[C@H](NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)C(=O)[O-] ZINC001595232570 1017080288 /nfs/dbraw/zinc/08/02/88/1017080288.db2.gz DMQOPOADLAKNGA-WHGOUJPWSA-N -1 0 307.306 -0.063 20 0 DBADRM CN(CCNC(=O)CC1(C)CC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001449043028 1010177086 /nfs/dbraw/zinc/17/70/86/1010177086.db2.gz MUTGWBSETBOZQW-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1nnc(C2CCOCC2)[nH]1 ZINC001479095590 1010187478 /nfs/dbraw/zinc/18/74/78/1010187478.db2.gz MFWXRYBTLMSBDW-UHFFFAOYSA-N -1 0 312.330 -0.825 20 0 DBADRM Cc1nnc(CNC(=O)NCc2nc3c(c(=O)[nH]2)COCC3)[nH]1 ZINC001479156909 1010193104 /nfs/dbraw/zinc/19/31/04/1010193104.db2.gz MRZPSOMFKFONCZ-UHFFFAOYSA-N -1 0 319.325 -0.319 20 0 DBADRM CCC1(C(=O)N(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001449070383 1010199883 /nfs/dbraw/zinc/19/98/83/1010199883.db2.gz AXBLUNVSDXLLPH-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001449083491 1010212313 /nfs/dbraw/zinc/21/23/13/1010212313.db2.gz MMQJYWVZNGVMQT-RKDXNWHRSA-N -1 0 311.342 -0.690 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001449083482 1010212560 /nfs/dbraw/zinc/21/25/60/1010212560.db2.gz MMQJYWVZNGVMQT-DTWKUNHWSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1coc(C(=O)N(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001449084917 1010217317 /nfs/dbraw/zinc/21/73/17/1010217317.db2.gz PGQGACLVXQBBAV-UHFFFAOYSA-N -1 0 323.309 -0.521 20 0 DBADRM CN(CCNC(=O)CCc1cn(C)nn1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598491470 1017284015 /nfs/dbraw/zinc/28/40/15/1017284015.db2.gz ZRRYPFDLYMANKY-WDEREUQCSA-N -1 0 323.353 -0.957 20 0 DBADRM CN(CCNC(=O)Cc1c[nH]cn1)c1ncc(C(=O)[O-])cn1 ZINC001598491333 1017284089 /nfs/dbraw/zinc/28/40/89/1017284089.db2.gz WOKLQJFMNZHKET-UHFFFAOYSA-N -1 0 304.310 -0.307 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1nnc2n1CCCC2 ZINC001598491509 1017284556 /nfs/dbraw/zinc/28/45/56/1017284556.db2.gz ORYWMWDCWIKEIU-GHMZBOCLSA-N -1 0 321.381 -0.117 20 0 DBADRM CN(C)C(=O)NCCN(C)CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598491403 1017284655 /nfs/dbraw/zinc/28/46/55/1017284655.db2.gz UVVDSLUZDUJFCB-UHFFFAOYSA-N -1 0 323.353 -0.079 20 0 DBADRM CN(CCNC(=O)CCc1cn[nH]n1)c1ncc(C(=O)[O-])cn1 ZINC001598490571 1017285229 /nfs/dbraw/zinc/28/52/29/1017285229.db2.gz MJPWLRUGPVIJDC-UHFFFAOYSA-N -1 0 319.325 -0.522 20 0 DBADRM CN(CCNC(=O)CCc1cn[nH]n1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598491009 1017285498 /nfs/dbraw/zinc/28/54/98/1017285498.db2.gz RXMLRGLTSVFDTQ-NXEZZACHSA-N -1 0 309.326 -0.967 20 0 DBADRM CN(CCNC(=O)Cc1cscn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598490264 1017285719 /nfs/dbraw/zinc/28/57/19/1017285719.db2.gz JAIPELKXNFRJRV-UWVGGRQHSA-N -1 0 311.363 -0.019 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O ZINC001598521741 1017296765 /nfs/dbraw/zinc/29/67/65/1017296765.db2.gz YPXGBGGYUCEMAA-SECBINFHSA-N -1 0 319.358 -0.556 20 0 DBADRM CN(CCNC(=O)Cc1c[nH]cn1)c1ccnc(C(=O)[O-])n1 ZINC001598490217 1017285975 /nfs/dbraw/zinc/28/59/75/1017285975.db2.gz ICZBINJFXVBBBJ-UHFFFAOYSA-N -1 0 304.310 -0.307 20 0 DBADRM Cc1cc(CNC[C@H](O)CN(C)C(=O)c2n[nH]c(C)c2[O-])no1 ZINC001449122314 1010280249 /nfs/dbraw/zinc/28/02/49/1010280249.db2.gz XCCGAFWVQVWBAC-NSHDSACASA-N -1 0 323.353 -0.057 20 0 DBADRM CN(CCNC(=O)c1cncn1C)c1ccnc(C(=O)[O-])n1 ZINC001598492399 1017287616 /nfs/dbraw/zinc/28/76/16/1017287616.db2.gz FEDROJUOIYTJMB-UHFFFAOYSA-N -1 0 304.310 -0.226 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)[C@H]1CCCOC1 ZINC001598495289 1017287829 /nfs/dbraw/zinc/28/78/29/1017287829.db2.gz CVFFFKJHYKZTNY-JTQLQIEISA-N -1 0 308.338 -0.106 20 0 DBADRM CN(CCNC(=O)c1cnn2cc[nH]c12)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598493342 1017288034 /nfs/dbraw/zinc/28/80/34/1017288034.db2.gz XYDJYDDWLFQTBX-DTWKUNHWSA-N -1 0 319.321 -0.429 20 0 DBADRM CN(CCNC(=O)c1cnc[nH]c1=O)c1ncc(C(=O)[O-])cn1 ZINC001598492805 1017288399 /nfs/dbraw/zinc/28/83/99/1017288399.db2.gz SOHSDAWLQYNSRL-UHFFFAOYSA-N -1 0 318.293 -0.463 20 0 DBADRM CN(CCO)C(=O)C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001598495375 1017290883 /nfs/dbraw/zinc/29/08/83/1017290883.db2.gz FVPGFBRLYHGEMY-MRXNPFEDSA-N -1 0 320.345 -0.308 20 0 DBADRM CN(CCNc1cnc(C(=O)[O-])cn1)CCS(C)(=O)=O ZINC001598495364 1017291045 /nfs/dbraw/zinc/29/10/45/1017291045.db2.gz FPWXWMUPMJXDIO-UHFFFAOYSA-N -1 0 302.356 -0.437 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)[C@H]1C[C@@]12CCOC2 ZINC001598495623 1017291111 /nfs/dbraw/zinc/29/11/11/1017291111.db2.gz LDUVDDWFWBNACA-MEBBXXQBSA-N -1 0 320.349 -0.106 20 0 DBADRM CN(CCO)CCNS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001598496364 1017291357 /nfs/dbraw/zinc/29/13/57/1017291357.db2.gz DAVLVVNZWBVSMN-UHFFFAOYSA-N -1 0 308.381 -0.351 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1cnn(C)c1N ZINC001598496014 1017291398 /nfs/dbraw/zinc/29/13/98/1017291398.db2.gz SWWWWCXVDDWWCE-UHFFFAOYSA-N -1 0 319.325 -0.904 20 0 DBADRM CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001598505737 1017293009 /nfs/dbraw/zinc/29/30/09/1017293009.db2.gz SGNKYQIHNHRMME-JTQLQIEISA-N -1 0 310.310 -0.930 20 0 DBADRM CN(CCOCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ncccn1 ZINC001598497816 1017293805 /nfs/dbraw/zinc/29/38/05/1017293805.db2.gz LDKVRIZFEHMBHX-WDEREUQCSA-N -1 0 308.338 -0.234 20 0 DBADRM CN(CCOCCO)C(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001598497840 1017293957 /nfs/dbraw/zinc/29/39/57/1017293957.db2.gz LYGAOKSDIXHNHZ-CQSZACIVSA-N -1 0 316.354 -0.833 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cn1)S(=O)(=O)c1cnc(N)nc1 ZINC001598516872 1017294774 /nfs/dbraw/zinc/29/47/74/1017294774.db2.gz RZPRFLIXEBIXTF-UHFFFAOYSA-N -1 0 323.334 -0.027 20 0 DBADRM CN(Cc1nnc2n1CCC2)[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001598539504 1017295040 /nfs/dbraw/zinc/29/50/40/1017295040.db2.gz NNVUUHQSZDHVGR-SNVBAGLBSA-N -1 0 307.354 -0.268 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC001598520373 1017295179 /nfs/dbraw/zinc/29/51/79/1017295179.db2.gz BEKTXFQCWBWBQK-QMMMGPOBSA-N -1 0 319.321 -0.525 20 0 DBADRM CN(Cc1nnc2n1CCNC2=O)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598540386 1017296126 /nfs/dbraw/zinc/29/61/26/1017296126.db2.gz FBHLFVPYZFOMCK-OCAPTIKFSA-N -1 0 307.310 -0.909 20 0 DBADRM Cc1[nH]ccc1C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001449193782 1010366253 /nfs/dbraw/zinc/36/62/53/1010366253.db2.gz WJOCTRUPULXVAD-JTQLQIEISA-N -1 0 322.369 -0.288 20 0 DBADRM CN(CCCNC(=O)CN1CCCCC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001479781826 1010375164 /nfs/dbraw/zinc/37/51/64/1010375164.db2.gz XFZQRIPRWODUSI-UHFFFAOYSA-N -1 0 324.385 -0.539 20 0 DBADRM Cc1ccnn1CC(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001479799895 1010390454 /nfs/dbraw/zinc/39/04/54/1010390454.db2.gz NKVIWLKFARDINX-UHFFFAOYSA-N -1 0 307.358 -0.346 20 0 DBADRM C[C@@H](C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1)[C@H]1CCC(=O)N1 ZINC001479798406 1010392143 /nfs/dbraw/zinc/39/21/43/1010392143.db2.gz WRXKKVVRNBZTDA-NXEZZACHSA-N -1 0 324.385 -0.637 20 0 DBADRM C[C@@H](C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001479820031 1010403839 /nfs/dbraw/zinc/40/38/39/1010403839.db2.gz FZTPWIJCLKPPHC-SNVBAGLBSA-N -1 0 321.385 -0.014 20 0 DBADRM NC(=O)[C@H](CO)NC(=O)c1cc(Br)cc(F)c1[O-] ZINC001449354094 1010450635 /nfs/dbraw/zinc/45/06/35/1010450635.db2.gz WOHQBJQLNWYYEB-ZETCQYMHSA-N -1 0 321.102 -0.130 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H](C)NC(=O)C(F)F ZINC001449581410 1010516402 /nfs/dbraw/zinc/51/64/02/1010516402.db2.gz VDFCTQDEHBSMBC-QWWZWVQMSA-N -1 0 305.241 -0.829 20 0 DBADRM CCC[C@H](C(=O)N1CCC[C@]1(COC)C(=O)[O-])S(N)(=O)=O ZINC001595533162 1017089675 /nfs/dbraw/zinc/08/96/75/1017089675.db2.gz SXAOTTRREDNDKX-SKDRFNHKSA-N -1 0 322.383 -0.464 20 0 DBADRM CCCC(=O)NCCN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001595529309 1017090015 /nfs/dbraw/zinc/09/00/15/1017090015.db2.gz LCOVKRJSHXBPFO-NEPJUHHUSA-N -1 0 311.382 -0.232 20 0 DBADRM O=C(CCc1nnn[n-]1)Nc1cccc(N2C(=O)CNC2=O)c1 ZINC001595501713 1017090071 /nfs/dbraw/zinc/09/00/71/1017090071.db2.gz CANJYADFGKMARE-UHFFFAOYSA-N -1 0 315.293 -0.173 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NC(=O)Cn2ccnc2)c1[O-] ZINC001449669372 1010540782 /nfs/dbraw/zinc/54/07/82/1010540782.db2.gz WTHUKIPWSMEQAC-RKDXNWHRSA-N -1 0 320.353 -0.057 20 0 DBADRM CCCC(=O)NCC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001595527462 1017090441 /nfs/dbraw/zinc/09/04/41/1017090441.db2.gz JAMQITJTRIKMJJ-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM CCCC(=O)N1CCCC[C@@H]1C(=O)NCC(=O)NCC(=O)[O-] ZINC001595523260 1017090459 /nfs/dbraw/zinc/09/04/59/1017090459.db2.gz DLQTXFHQKCSWER-SNVBAGLBSA-N -1 0 313.354 -0.515 20 0 DBADRM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC001595506186 1017090682 /nfs/dbraw/zinc/09/06/82/1017090682.db2.gz RWYRSZHTNVODKX-LTAOASPFSA-N -1 0 316.379 -0.194 20 0 DBADRM CCC[C@@](C)(NC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001595546933 1017092134 /nfs/dbraw/zinc/09/21/34/1017092134.db2.gz IJBNQRNMFVNBHN-GFCCVEGCSA-N -1 0 306.384 -0.524 20 0 DBADRM CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)c1nc[nH]n1 ZINC001449718027 1010555109 /nfs/dbraw/zinc/55/51/09/1010555109.db2.gz ZNHJADMZEGNDNG-UHFFFAOYSA-N -1 0 321.341 -0.176 20 0 DBADRM CCC[C@@H](CCO)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001595592296 1017092679 /nfs/dbraw/zinc/09/26/79/1017092679.db2.gz ZVCJAFRRKIBRPR-GUBZILKMSA-N -1 0 303.359 -0.186 20 0 DBADRM CCC[C@@H](C)N1C[C@@H](C(=O)NCC(=O)NCC(=O)[O-])CC1=O ZINC001595580024 1017092696 /nfs/dbraw/zinc/09/26/96/1017092696.db2.gz ZLMYTUSFNKSPTK-ZJUUUORDSA-N -1 0 313.354 -0.660 20 0 DBADRM CCC[C@H](C)N1C[C@H](C(=O)NC[C@@H](O)CC(=O)[O-])CC1=O ZINC001595578838 1017092765 /nfs/dbraw/zinc/09/27/65/1017092765.db2.gz OTMJPBDSRQEKQE-AXFHLTTASA-N -1 0 300.355 -0.025 20 0 DBADRM CCC[C@H](C)N1C[C@@H](C(=O)NCC[C@H](O)C(=O)[O-])CC1=O ZINC001595578356 1017092839 /nfs/dbraw/zinc/09/28/39/1017092839.db2.gz KIHGDIJDKGWVEQ-DCAQKATOSA-N -1 0 300.355 -0.025 20 0 DBADRM CN(CC(C)(C)CNC(=O)C1CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001449767963 1010559392 /nfs/dbraw/zinc/55/93/92/1010559392.db2.gz PPRVGEFRPHBPEH-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM CCC[C@H](C(=O)N[C@H](CC(F)F)C(=O)[O-])S(N)(=O)=O ZINC001595535980 1017093259 /nfs/dbraw/zinc/09/32/59/1017093259.db2.gz KNJORPICKPMBOK-PHDIDXHHSA-N -1 0 302.299 -0.332 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001595637347 1017095917 /nfs/dbraw/zinc/09/59/17/1017095917.db2.gz DADRSQNWCXJBAQ-NXEZZACHSA-N -1 0 301.343 -0.084 20 0 DBADRM CCCCC(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001595625536 1017096190 /nfs/dbraw/zinc/09/61/90/1017096190.db2.gz FDOMIVHPVGMHPS-MNOVXSKESA-N -1 0 312.366 -0.023 20 0 DBADRM CCCCNC(=O)CN1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001595753921 1017098190 /nfs/dbraw/zinc/09/81/90/1017098190.db2.gz GKQNGKILLMEHIP-VXGBXAGGSA-N -1 0 311.382 -0.234 20 0 DBADRM O=C(CC1CC1)N(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001449902137 1010592025 /nfs/dbraw/zinc/59/20/25/1010592025.db2.gz SILCFBHUWUDOFW-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM CCCCOCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001595771129 1017098478 /nfs/dbraw/zinc/09/84/78/1017098478.db2.gz VRCNJDQNHLREJI-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM CCCCNC(=O)CN1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001595753654 1017098590 /nfs/dbraw/zinc/09/85/90/1017098590.db2.gz GKQNGKILLMEHIP-NWDGAFQWSA-N -1 0 311.382 -0.234 20 0 DBADRM CCCCN(CC(N)=O)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001595742278 1017099516 /nfs/dbraw/zinc/09/95/16/1017099516.db2.gz XTOBWNANMUAQKE-UHFFFAOYSA-N -1 0 309.322 -0.340 20 0 DBADRM CN1C(=O)CN(CC(=O)N2CCSC[C@@H](C(=O)[O-])C2)C1=O ZINC001598550848 1017298449 /nfs/dbraw/zinc/29/84/49/1017298449.db2.gz BUWWKMYNXUEDEH-QMMMGPOBSA-N -1 0 315.351 -0.843 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)C1=O ZINC001598545969 1017298483 /nfs/dbraw/zinc/29/84/83/1017298483.db2.gz SVUFADGMSYJZRY-CYBMUJFWSA-N -1 0 311.294 -0.880 20 0 DBADRM CN1C(=O)CC[C@H](N2C(=O)[C@@H]3CC[C@H](C(=O)[O-])CN3C2=O)C1=O ZINC001598549320 1017298590 /nfs/dbraw/zinc/29/85/90/1017298590.db2.gz ONZSNYLYIIOQFA-CIUDSAMLSA-N -1 0 323.305 -0.739 20 0 DBADRM CN1C(=O)CC[C@@H]1CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001598548043 1017299272 /nfs/dbraw/zinc/29/92/72/1017299272.db2.gz NGJKCRQARGIAQY-MRVPVSSYSA-N -1 0 307.310 -0.630 20 0 DBADRM CC[C@@H](F)C(=O)N(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001450030663 1010617875 /nfs/dbraw/zinc/61/78/75/1010617875.db2.gz ZAZIZZHNTJPPSD-NKWVEPMBSA-N -1 0 315.305 -0.392 20 0 DBADRM CN1C(=O)CN(CC(=O)O[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1=O ZINC001598551940 1017299998 /nfs/dbraw/zinc/29/99/98/1017299998.db2.gz WRSHMUDMMARYQD-RGOKHQFPSA-N -1 0 310.306 -0.077 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2)C1=O ZINC001598555920 1017300097 /nfs/dbraw/zinc/30/00/97/1017300097.db2.gz VGSWZXHYDFXHNX-KYZUINATSA-N -1 0 324.337 -0.425 20 0 DBADRM CN1C(=O)COc2ccc(C(=O)N3CC[C@@](O)(C(=O)[O-])C3)cc21 ZINC001598553490 1017300117 /nfs/dbraw/zinc/30/01/17/1017300117.db2.gz QPUKJBJKGWGYBC-HNNXBMFYSA-N -1 0 320.301 -0.297 20 0 DBADRM Cn1nccc1[C@H](NC(=O)/C=C1/SCC(=O)N1C)C(=O)[O-] ZINC001598553700 1017300201 /nfs/dbraw/zinc/30/02/01/1017300201.db2.gz NGQOGBLAGIUDOK-UAWPZABVSA-N -1 0 310.335 -0.291 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])C[C@H]2C1=O ZINC001598557140 1017300405 /nfs/dbraw/zinc/30/04/05/1017300405.db2.gz UAQWBQSFUPZCKV-UKKRHICBSA-N -1 0 323.349 -0.114 20 0 DBADRM CN1C(=O)COc2cc(NC(=O)NC[C@H](O)CC(=O)[O-])ccc21 ZINC001598551872 1017300501 /nfs/dbraw/zinc/30/05/01/1017300501.db2.gz CBLBFBKZPCXEEG-SECBINFHSA-N -1 0 323.305 -0.001 20 0 DBADRM CN1C(=O)Cc2cc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])ccc21 ZINC001598554240 1017300591 /nfs/dbraw/zinc/30/05/91/1017300591.db2.gz BGKMJHGOAGWRRJ-VIFPVBQESA-N -1 0 316.310 -0.094 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001598554282 1017300788 /nfs/dbraw/zinc/30/07/88/1017300788.db2.gz XIFPELOEBBMQRW-DSDFTUOUSA-N -1 0 314.363 -0.283 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)C[C@H]2C1=O ZINC001598556168 1017300803 /nfs/dbraw/zinc/30/08/03/1017300803.db2.gz DLDOCPSLHLUJDZ-MJEBZVHXSA-N -1 0 321.333 -0.504 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)C34CC(C(=O)[O-])(C3)C4)CC2)C1=O ZINC001598555522 1017300840 /nfs/dbraw/zinc/30/08/40/1017300840.db2.gz OIHMYMHUGYXNRV-UHFFFAOYSA-N -1 0 321.333 -0.216 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001598553936 1017300989 /nfs/dbraw/zinc/30/09/89/1017300989.db2.gz PWCNKMKVTGYSTH-ZHNVUNHESA-N -1 0 316.335 -0.635 20 0 DBADRM CN1C(=O)NCC12CCN(C(=O)NC[C@H](F)C(=O)[O-])CC2 ZINC001598556492 1017301001 /nfs/dbraw/zinc/30/10/01/1017301001.db2.gz ITKSVIHFGMFLTJ-QMMMGPOBSA-N -1 0 302.306 -0.392 20 0 DBADRM CN1C(=O)COc2cc(NC(=O)NC[C@@H](O)CC(=O)[O-])ccc21 ZINC001598551873 1017301063 /nfs/dbraw/zinc/30/10/63/1017301063.db2.gz CBLBFBKZPCXEEG-VIFPVBQESA-N -1 0 323.305 -0.001 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])C1=O ZINC001598551974 1017301077 /nfs/dbraw/zinc/30/10/77/1017301077.db2.gz YGGPOLRBPXEGNA-JTQLQIEISA-N -1 0 320.305 -0.913 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001598554289 1017301714 /nfs/dbraw/zinc/30/17/14/1017301714.db2.gz XIFPELOEBBMQRW-IGEMTJHASA-N -1 0 314.363 -0.283 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])C1=O ZINC001598555408 1017301830 /nfs/dbraw/zinc/30/18/30/1017301830.db2.gz LVURPRGFPDHXLM-VGAUDOQQSA-N -1 0 323.349 -0.066 20 0 DBADRM CN1C[C@H](O)C[C@@]1(C)C(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC001598568054 1017309822 /nfs/dbraw/zinc/30/98/22/1017309822.db2.gz BCQDBLCKSLUVKM-JQEORGNBSA-N -1 0 313.379 -0.290 20 0 DBADRM CN1C[C@@H](C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)NCC1=O ZINC001598560993 1017302695 /nfs/dbraw/zinc/30/26/95/1017302695.db2.gz WPRZVCRQFDVWRY-QWRGUYRKSA-N -1 0 311.382 -0.234 20 0 DBADRM CN1C[C@H](C(=O)NCC(=O)NCC(=O)[O-])c2ccccc2C1=O ZINC001598558724 1017302840 /nfs/dbraw/zinc/30/28/40/1017302840.db2.gz DDOLTCGQHXDESD-NSHDSACASA-N -1 0 319.317 -0.827 20 0 DBADRM CN1CC(=O)N(CCCC(=O)Nc2n[nH]c(CC(=O)[O-])n2)C1=O ZINC001598560771 1017303478 /nfs/dbraw/zinc/30/34/78/1017303478.db2.gz SDARCCAAEOIUBJ-UHFFFAOYSA-N -1 0 324.297 -0.956 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)C2=C[S@](=O)CCC2)CC1=O ZINC001598561206 1017303805 /nfs/dbraw/zinc/30/38/05/1017303805.db2.gz AWHWSUFOFMWQMD-GSDQLPOLSA-N -1 0 300.336 -0.833 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@@H](C(=O)[O-])c2ccccn2)C1=O ZINC001598558827 1017303858 /nfs/dbraw/zinc/30/38/58/1017303858.db2.gz KAZSLVQSZJCASF-LLVKDONJSA-N -1 0 306.278 -0.783 20 0 DBADRM CN1C[C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])NCC1=O ZINC001598560497 1017303928 /nfs/dbraw/zinc/30/39/28/1017303928.db2.gz RDVHYLMXGDQOOW-NWDGAFQWSA-N -1 0 323.324 -0.632 20 0 DBADRM CN1CC(=O)N(c2ccc(CC(=O)NCC(=O)[O-])cc2)C1=O ZINC001598560953 1017303949 /nfs/dbraw/zinc/30/39/49/1017303949.db2.gz WUXVAKMKEDATAK-UHFFFAOYSA-N -1 0 305.290 -0.172 20 0 DBADRM CN1C[C@H](N2C(=O)[C@H]3C[C@@H](C(=O)[O-])CCN3C2=O)CCC1=O ZINC001598568086 1017309957 /nfs/dbraw/zinc/30/99/57/1017309957.db2.gz NZTHEGRMAGGSPZ-IVZWLZJFSA-N -1 0 309.322 -0.265 20 0 DBADRM CO[C@H]1COCC[C@@H]1CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001450158464 1010650395 /nfs/dbraw/zinc/65/03/95/1010650395.db2.gz XPGLHARYDJAIJA-SFYZADRCSA-N -1 0 302.356 -0.230 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CCOCCN1 ZINC001450208668 1010664396 /nfs/dbraw/zinc/66/43/96/1010664396.db2.gz GFMHGZMHTLZRSZ-UHFFFAOYSA-N -1 0 305.294 -0.757 20 0 DBADRM COC(=O)[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccn1 ZINC001450221468 1010666667 /nfs/dbraw/zinc/66/66/67/1010666667.db2.gz YHENVENXRBYOKC-SECBINFHSA-N -1 0 307.266 -0.885 20 0 DBADRM CN([C@@H]1CCC(=O)N(C)C1)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001598568175 1017309464 /nfs/dbraw/zinc/30/94/64/1017309464.db2.gz YOKOBPUSXKBCCV-SSDOTTSWSA-N -1 0 317.323 -0.386 20 0 DBADRM COC(=O)COc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1 ZINC001450469745 1010737662 /nfs/dbraw/zinc/73/76/62/1010737662.db2.gz MRHOKRPFOBOMNF-UHFFFAOYSA-N -1 0 308.250 -0.375 20 0 DBADRM CC(=O)N1C[C@@H]2[C@@H](CNC(=O)CCCn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001450514953 1010747746 /nfs/dbraw/zinc/74/77/46/1010747746.db2.gz OQWJQZVFLUZPER-RTCCRHLQSA-N -1 0 323.353 -0.690 20 0 DBADRM CC(=O)N(C)CC(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001450554094 1010757366 /nfs/dbraw/zinc/75/73/66/1010757366.db2.gz CULFBKCGZNCLSS-UHFFFAOYSA-N -1 0 323.353 -0.910 20 0 DBADRM CCOCCC(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001480848085 1010773265 /nfs/dbraw/zinc/77/32/65/1010773265.db2.gz IBLFDTXDECMWJU-UHFFFAOYSA-N -1 0 321.381 -0.003 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ccccn1 ZINC001480886500 1010792865 /nfs/dbraw/zinc/79/28/65/1010792865.db2.gz MRFWUSVCYMBCKI-UHFFFAOYSA-N -1 0 304.310 -0.460 20 0 DBADRM CC(C)[C@@H](CCNC(=O)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001450727529 1010793177 /nfs/dbraw/zinc/79/31/77/1010793177.db2.gz RCHOJPKYPDCJBJ-SECBINFHSA-N -1 0 323.353 -0.047 20 0 DBADRM CCN(CCNC(=O)c1cn[nH]c(=O)c1)Cc1n[nH]c(=O)[n-]1 ZINC001480981278 1010821217 /nfs/dbraw/zinc/82/12/17/1010821217.db2.gz FEFWVILTPBKRQC-UHFFFAOYSA-N -1 0 307.314 -0.742 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H](C)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001451004311 1010835447 /nfs/dbraw/zinc/83/54/47/1010835447.db2.gz VVWBTASLCUZIRW-SFYZADRCSA-N -1 0 323.353 -0.094 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC1(C)C ZINC001451036851 1010841460 /nfs/dbraw/zinc/84/14/60/1010841460.db2.gz IIPLFHNYQKRHSS-SFYZADRCSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)[C@H]1COCCO1 ZINC001481159320 1010847460 /nfs/dbraw/zinc/84/74/60/1010847460.db2.gz HWRSULLFWBRKFE-SNVBAGLBSA-N -1 0 311.342 -0.994 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]OCc1ccccn1 ZINC001451094563 1010851613 /nfs/dbraw/zinc/85/16/13/1010851613.db2.gz XXNTVMYGFRKCOY-ZDUSSCGKSA-N -1 0 320.349 -0.244 20 0 DBADRM CC(=O)N[C@@](C)(CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001451205798 1010866958 /nfs/dbraw/zinc/86/69/58/1010866958.db2.gz DLGZUSGBCPJQFN-AWEZNQCLSA-N -1 0 323.353 -0.364 20 0 DBADRM COC(=O)[C@@](C)(CO)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001451210902 1010868600 /nfs/dbraw/zinc/86/86/00/1010868600.db2.gz LTDAYNZOESSCLW-CQSZACIVSA-N -1 0 321.289 -0.316 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(Cc2ccccn2)C1 ZINC001481657265 1010954791 /nfs/dbraw/zinc/95/47/91/1010954791.db2.gz RUCGITYZXUCSAV-UHFFFAOYSA-N -1 0 318.337 -0.668 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)C2(C)CCC2)c1[O-] ZINC001451505140 1010974181 /nfs/dbraw/zinc/97/41/81/1010974181.db2.gz SAZIECHTONGJFI-SECBINFHSA-N -1 0 310.354 -0.179 20 0 DBADRM CC[C@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1)C(=O)NC ZINC001451578106 1011002735 /nfs/dbraw/zinc/00/27/35/1011002735.db2.gz ZANGKHCIEBDWSY-ZETCQYMHSA-N -1 0 319.321 -0.001 20 0 DBADRM CC[C@@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1)C(=O)NC ZINC001451578103 1011002915 /nfs/dbraw/zinc/00/29/15/1011002915.db2.gz ZANGKHCIEBDWSY-SSDOTTSWSA-N -1 0 319.321 -0.001 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN(C)C(=O)C(C)(C)F)c1[O-] ZINC001451773655 1011033223 /nfs/dbraw/zinc/03/32/23/1011033223.db2.gz KYUWKWWVEBRWMP-QMMMGPOBSA-N -1 0 316.333 -0.279 20 0 DBADRM COCC(=O)NCCC(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001452152132 1011116627 /nfs/dbraw/zinc/11/66/27/1011116627.db2.gz POTOHRILDRIKSJ-JTQLQIEISA-N -1 0 314.342 -0.281 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1ccc(CO)cc1 ZINC001452203612 1011123270 /nfs/dbraw/zinc/12/32/70/1011123270.db2.gz OCDMPLDWTKNKRR-UHFFFAOYSA-N -1 0 313.317 -0.120 20 0 DBADRM Cc1cnc(CNC[C@H](C)N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001482358480 1011127769 /nfs/dbraw/zinc/12/77/69/1011127769.db2.gz OCABESZJVQKRGE-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM CC(=O)N1CC[C@H](C)[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001452310756 1011187352 /nfs/dbraw/zinc/18/73/52/1011187352.db2.gz ZCJDGFOHSZPTOF-WCBMZHEXSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC001452338030 1011210283 /nfs/dbraw/zinc/21/02/83/1011210283.db2.gz VWUGWEGXYLBKNX-UKKRHICBSA-N -1 0 322.365 -0.323 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC001452338034 1011210571 /nfs/dbraw/zinc/21/05/71/1011210571.db2.gz VWUGWEGXYLBKNX-ZNSHCXBVSA-N -1 0 322.365 -0.323 20 0 DBADRM CC(C)C(=O)N[C@H](C)C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001452360630 1011226479 /nfs/dbraw/zinc/22/64/79/1011226479.db2.gz SSGBFBGCRVFJMT-DTWKUNHWSA-N -1 0 313.358 -0.255 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)CNC(=O)C(F)F ZINC001452449761 1011266925 /nfs/dbraw/zinc/26/69/25/1011266925.db2.gz YLQHUPOLTPEJCL-RXMQYKEDSA-N -1 0 319.268 -0.485 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCCF)C[C@H]2O)c1[O-] ZINC001452628327 1011318572 /nfs/dbraw/zinc/31/85/72/1011318572.db2.gz FRLUQJWGSGUZIJ-RKDXNWHRSA-N -1 0 314.317 -0.525 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)Cn2cccn2)c1[O-] ZINC001452737652 1011369558 /nfs/dbraw/zinc/36/95/58/1011369558.db2.gz ZKPRNYZBVKATTH-QMMMGPOBSA-N -1 0 306.326 -0.445 20 0 DBADRM CN([C@H]1CCC(=O)N(C)C1)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001598568176 1017310124 /nfs/dbraw/zinc/31/01/24/1017310124.db2.gz YOKOBPUSXKBCCV-ZETCQYMHSA-N -1 0 317.323 -0.386 20 0 DBADRM CN1C[C@H](O)C[C@]1(C)C(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC001598568055 1017310690 /nfs/dbraw/zinc/31/06/90/1017310690.db2.gz BCQDBLCKSLUVKM-ZDSQKVDBSA-N -1 0 313.379 -0.290 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)c2csnc2C(=O)[O-])CC1=O ZINC001598569444 1017310787 /nfs/dbraw/zinc/31/07/87/1017310787.db2.gz KILBCDKMWNFTHA-YFKPBYRVSA-N -1 0 305.337 -0.650 20 0 DBADRM CN1C[C@@H](CCNS(=O)(=O)CC(C)(C)C(=O)[O-])CC1=O ZINC001598567066 1017310865 /nfs/dbraw/zinc/31/08/65/1017310865.db2.gz PVMYWCSKAKGCLU-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM CN1C[C@H](O)C[C@@H]1c1nnc(N2CC[C@](F)(C(=O)[O-])C2)n1C ZINC001598569870 1017310920 /nfs/dbraw/zinc/31/09/20/1017310920.db2.gz OCAKKULYGZPMFO-JRKPZEMJSA-N -1 0 313.333 -0.444 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)Cc2cnn3ccccc23)CC1=O ZINC001598565693 1017311357 /nfs/dbraw/zinc/31/13/57/1017311357.db2.gz YMAZJJZFVFIYCW-GFCCVEGCSA-N -1 0 316.317 -0.369 20 0 DBADRM CN1C[C@@H](OC(=O)CS(=O)(=O)C2CC2)C[C@@]1(C)C(=O)[O-] ZINC001598572050 1017312413 /nfs/dbraw/zinc/31/24/13/1017312413.db2.gz GZQNQSLJLWIMEN-UFBFGSQYSA-N -1 0 305.352 -0.346 20 0 DBADRM CN1C[C@H](OC(=O)C[C@H]2CCS(=O)(=O)C2)C[C@@H]1C(=O)[O-] ZINC001598572220 1017313246 /nfs/dbraw/zinc/31/32/46/1017313246.db2.gz HRMAGXQABLUESV-OPRDCNLKSA-N -1 0 305.352 -0.488 20 0 DBADRM CCCN(CCNC(=O)C(C)C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001497210671 1017313671 /nfs/dbraw/zinc/31/36/71/1017313671.db2.gz PVFZFXXKTAVMBM-UHFFFAOYSA-N -1 0 311.342 -0.093 20 0 DBADRM CN1C[C@H](OC(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C(=O)[O-] ZINC001598571967 1017314330 /nfs/dbraw/zinc/31/43/30/1017314330.db2.gz GTZIXVXLHCUFRE-HBNTYKKESA-N -1 0 319.379 -0.098 20 0 DBADRM CN1C[C@H](OC(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C(=O)[O-] ZINC001598572219 1017314752 /nfs/dbraw/zinc/31/47/52/1017314752.db2.gz HRMAGXQABLUESV-IVZWLZJFSA-N -1 0 305.352 -0.488 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1 ZINC001452826552 1011426743 /nfs/dbraw/zinc/42/67/43/1011426743.db2.gz OZSSSGCXQSASGQ-NSHDSACASA-N -1 0 309.326 -0.595 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCC[C@@]1(O)CCOC1 ZINC001452833910 1011427534 /nfs/dbraw/zinc/42/75/34/1011427534.db2.gz KXFHFKNOMDIYBV-GFCCVEGCSA-N -1 0 300.315 -0.873 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCC[C@]1(O)CCOC1 ZINC001452833911 1011429695 /nfs/dbraw/zinc/42/96/95/1011429695.db2.gz KXFHFKNOMDIYBV-LBPRGKRZSA-N -1 0 300.315 -0.873 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001452855981 1011434387 /nfs/dbraw/zinc/43/43/87/1011434387.db2.gz ODMQSMPGUHJGQV-RKDXNWHRSA-N -1 0 300.315 -0.922 20 0 DBADRM CN1C(=O)c2ccc(C(=O)NCC[C@H](O)C(=O)[O-])cc2C1=O ZINC001598581182 1017317084 /nfs/dbraw/zinc/31/70/84/1017317084.db2.gz FKIXGUWTELEXCC-JTQLQIEISA-N -1 0 306.274 -0.522 20 0 DBADRM CN1CC[C@](C)(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001598577706 1017317655 /nfs/dbraw/zinc/31/76/55/1017317655.db2.gz JHECGNKKSXWCJA-OTYXRUKQSA-N -1 0 321.337 -0.382 20 0 DBADRM CN1CC[C@H](C(=O)NCCCNc2ncc(C(=O)[O-])cn2)C1=O ZINC001598579710 1017318450 /nfs/dbraw/zinc/31/84/50/1017318450.db2.gz SVEMRWYASIBXLQ-SNVBAGLBSA-N -1 0 321.337 -0.429 20 0 DBADRM CN1CC[C@@H](C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)S1(=O)=O ZINC001598580083 1017318545 /nfs/dbraw/zinc/31/85/45/1017318545.db2.gz FBJXTYBMHAGLOO-CWSCBRNRSA-N -1 0 316.379 -0.124 20 0 DBADRM CN(CC(=O)Nc1cccc(C(=O)[O-])n1)[C@H]1CCN(C)C1=O ZINC001598583937 1017318905 /nfs/dbraw/zinc/31/89/05/1017318905.db2.gz PAYOTSAUHBLWTF-JTQLQIEISA-N -1 0 306.322 -0.119 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CC1=O ZINC001598581491 1017320960 /nfs/dbraw/zinc/32/09/60/1017320960.db2.gz VJTFSNZGAOXFBI-ZJUUUORDSA-N -1 0 314.338 -0.423 20 0 DBADRM CC(=O)N(CCO)C1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001453198066 1011552865 /nfs/dbraw/zinc/55/28/65/1011552865.db2.gz UPDKAVJFRRRWDY-UHFFFAOYSA-N -1 0 310.354 -0.131 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1C(=O)c1ccc[nH]1 ZINC001453219570 1011562178 /nfs/dbraw/zinc/56/21/78/1011562178.db2.gz BECNGMTULPQWHP-MRVPVSSYSA-N -1 0 320.309 -0.952 20 0 DBADRM CCC1(C(=O)NC2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)CC1 ZINC001453506433 1011708668 /nfs/dbraw/zinc/70/86/68/1011708668.db2.gz QMPRQSFICAGAMQ-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM C[C@H](CNCc1cnon1)NC(=O)c1c[n-]n2c1nccc2=O ZINC001483173775 1011762133 /nfs/dbraw/zinc/76/21/33/1011762133.db2.gz WZWJQSVVXBFUBS-MRVPVSSYSA-N -1 0 317.309 -0.686 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC001453720503 1011802790 /nfs/dbraw/zinc/80/27/90/1011802790.db2.gz ZLKLUSWKERSJTE-QMMMGPOBSA-N -1 0 307.310 -0.633 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC001453720498 1011803071 /nfs/dbraw/zinc/80/30/71/1011803071.db2.gz ZLKLUSWKERSJTE-MRVPVSSYSA-N -1 0 307.310 -0.633 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2nnc3ccccc3n2)C(=O)N1C ZINC001453747426 1011810519 /nfs/dbraw/zinc/81/05/19/1011810519.db2.gz HFSILICSYLMNJR-SSDOTTSWSA-N -1 0 300.278 -0.048 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN2CCN(C(=O)C3CC3)CC2)c1[O-] ZINC001453940281 1011838691 /nfs/dbraw/zinc/83/86/91/1011838691.db2.gz YUVBVMZMIPPBFT-UHFFFAOYSA-N -1 0 321.381 -0.292 20 0 DBADRM CCn1ccc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001483392896 1011865216 /nfs/dbraw/zinc/86/52/16/1011865216.db2.gz IBDIRURNUVJTJN-VIFPVBQESA-N -1 0 307.358 -0.023 20 0 DBADRM Cn1cncc1[C@@H](CO)NC(=O)c1c[n-]n2c1nccc2=O ZINC001454166968 1011880284 /nfs/dbraw/zinc/88/02/84/1011880284.db2.gz LTSILOMJZYZBBV-SECBINFHSA-N -1 0 302.294 -0.781 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N(C)c2nnn[n-]2)ccc1F ZINC001454164477 1011880331 /nfs/dbraw/zinc/88/03/31/1011880331.db2.gz UCZOKPOIHPFNNU-UHFFFAOYSA-N -1 0 314.302 -0.477 20 0 DBADRM CC1(C(=O)NC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C2CC2)CC1 ZINC001454171871 1011881561 /nfs/dbraw/zinc/88/15/61/1011881561.db2.gz UNAIDLIDNJKHSB-QMMMGPOBSA-N -1 0 321.337 -0.293 20 0 DBADRM CC1(C(=O)NC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C2CC2)CC1 ZINC001454171868 1011881671 /nfs/dbraw/zinc/88/16/71/1011881671.db2.gz UNAIDLIDNJKHSB-MRVPVSSYSA-N -1 0 321.337 -0.293 20 0 DBADRM CC(=O)N[C@@H](CNC(=O)c1c[n-]n2c1nccc2=O)C1CC1 ZINC001454178547 1011884305 /nfs/dbraw/zinc/88/43/05/1011884305.db2.gz VSDAMBVSPRSIMK-NSHDSACASA-N -1 0 303.322 -0.333 20 0 DBADRM COCCn1ncc(C(=O)NCc2nc([O-])cc(=O)[nH]2)c1C ZINC001454188900 1011885635 /nfs/dbraw/zinc/88/56/35/1011885635.db2.gz GMNMFJLNKCXVIY-UHFFFAOYSA-N -1 0 307.310 -0.031 20 0 DBADRM CN1C(=O)CN=C1NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC001454210661 1011889215 /nfs/dbraw/zinc/88/92/15/1011889215.db2.gz WZNPNJQYYYNABP-UHFFFAOYSA-N -1 0 310.335 -0.384 20 0 DBADRM COCCOc1ncccc1C(=O)[N-]n1ccc(=O)[nH]c1=O ZINC001454275221 1011898174 /nfs/dbraw/zinc/89/81/74/1011898174.db2.gz WUJJSOXCZZIMOC-UHFFFAOYSA-N -1 0 306.278 -0.247 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001595787535 1017100298 /nfs/dbraw/zinc/10/02/98/1017100298.db2.gz MYUBHZGQJVSMTN-JTQLQIEISA-N -1 0 304.368 -0.005 20 0 DBADRM CCCCn1nccc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001595810822 1017100357 /nfs/dbraw/zinc/10/03/57/1017100357.db2.gz QYCHLAABTFWDDL-SECBINFHSA-N -1 0 312.326 -0.427 20 0 DBADRM CCCN([C@@H](C)C(=O)[O-])S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001595831016 1017101109 /nfs/dbraw/zinc/10/11/09/1017101109.db2.gz GXAUMVMXFQWYBD-QWRGUYRKSA-N -1 0 308.400 -0.168 20 0 DBADRM CCCN(C(=O)Cn1cc(S(N)(=O)=O)cn1)[C@@H](C)C(=O)[O-] ZINC001595822590 1017101324 /nfs/dbraw/zinc/10/13/24/1017101324.db2.gz RLGFVQYDOQBWIX-QMMMGPOBSA-N -1 0 318.355 -0.758 20 0 DBADRM CCCN(CC1CC1)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001595870501 1017103240 /nfs/dbraw/zinc/10/32/40/1017103240.db2.gz NJBZZGKGLGTGNF-NEPJUHHUSA-N -1 0 312.366 -0.071 20 0 DBADRM CCCN1C[C@@H](C(=O)NCCC(=O)NCCC(=O)[O-])CC1=O ZINC001595895121 1017103436 /nfs/dbraw/zinc/10/34/36/1017103436.db2.gz BFNHMADWEVOJPX-JTQLQIEISA-N -1 0 313.354 -0.658 20 0 DBADRM CCCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1ncnn1C ZINC001595883356 1017103686 /nfs/dbraw/zinc/10/36/86/1017103686.db2.gz WZYOHRXIVFHFSZ-QWRGUYRKSA-N -1 0 309.370 -0.136 20 0 DBADRM COC[C@@H](NC(=O)c1cnc2cc(C)nn2c1C)c1nnn[n-]1 ZINC001595887615 1017104125 /nfs/dbraw/zinc/10/41/25/1017104125.db2.gz BNICOGAZRPVAMN-SNVBAGLBSA-N -1 0 316.325 -0.023 20 0 DBADRM CCCN1C[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)CC1=O ZINC001595895630 1017106333 /nfs/dbraw/zinc/10/63/33/1017106333.db2.gz GBGKHJSTEWKYIP-CABZTGNLSA-N -1 0 308.338 -0.080 20 0 DBADRM CCCNC(=O)CCCC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001595920629 1017107285 /nfs/dbraw/zinc/10/72/85/1017107285.db2.gz RLKKSCWUUKOPFK-WDEREUQCSA-N -1 0 300.355 -0.023 20 0 DBADRM CCCNC(=O)NC(=O)CN1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC001595925990 1017107467 /nfs/dbraw/zinc/10/74/67/1017107467.db2.gz DKRSSPZUKPUPAG-ZANVPECISA-N -1 0 301.343 -0.214 20 0 DBADRM CCCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001595921863 1017107956 /nfs/dbraw/zinc/10/79/56/1017107956.db2.gz MULYIYYDYFOXAG-UHFFFAOYSA-N -1 0 310.310 -0.696 20 0 DBADRM CCCNC(=O)CN1CC=C(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001595921855 1017108006 /nfs/dbraw/zinc/10/80/06/1017108006.db2.gz MONSRRLNSPQGNW-QWHCGFSZSA-N -1 0 323.393 -0.018 20 0 DBADRM O=C(c1ccc2nonc2c1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454553958 1012032738 /nfs/dbraw/zinc/03/27/38/1012032738.db2.gz NPZHCDZESMWCNQ-SNVBAGLBSA-N -1 0 301.266 -0.050 20 0 DBADRM CCCNC(=O)CNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001595922032 1017108130 /nfs/dbraw/zinc/10/81/30/1017108130.db2.gz QANAOQLDXCLRSX-SECBINFHSA-N -1 0 324.341 -0.541 20 0 DBADRM O=C([C@H]1CCCn2ncnc21)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454553949 1012034329 /nfs/dbraw/zinc/03/43/29/1012034329.db2.gz NICHNYJNXDPYNL-IUCAKERBSA-N -1 0 304.314 -0.731 20 0 DBADRM O=C(c1cc(F)cc2n[nH]nc21)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454555235 1012036584 /nfs/dbraw/zinc/03/65/84/1012036584.db2.gz SYKOXYMVUSVCSV-SECBINFHSA-N -1 0 318.272 -0.176 20 0 DBADRM CCCNC(=O)NC(=O)Cn1nc(C(=O)[O-])cc1C(=O)OC ZINC001595925813 1017108627 /nfs/dbraw/zinc/10/86/27/1017108627.db2.gz KOIJNCUXCJMFMM-UHFFFAOYSA-N -1 0 312.282 -0.396 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2nnn(C)c2C)c1[O-] ZINC001454594163 1012056199 /nfs/dbraw/zinc/05/61/99/1012056199.db2.gz FQMWGHLDGPLHFC-LURJTMIESA-N -1 0 321.341 -0.591 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@@H]1CCN1CCF ZINC001483690071 1012058413 /nfs/dbraw/zinc/05/84/13/1012058413.db2.gz YFZLNYKCYRXABR-VIFPVBQESA-N -1 0 308.317 -0.769 20 0 DBADRM CC(=O)N1CC[C@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001454797636 1012130599 /nfs/dbraw/zinc/13/05/99/1012130599.db2.gz XBSVSUZWKSCMPV-SECBINFHSA-N -1 0 309.326 -0.800 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001454894489 1012155543 /nfs/dbraw/zinc/15/55/43/1012155543.db2.gz OREJJNMZTHTKAQ-GUBZILKMSA-N -1 0 323.353 -0.690 20 0 DBADRM CC(C)CC(=O)N[C@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001455072955 1012210135 /nfs/dbraw/zinc/21/01/35/1012210135.db2.gz SWIHJIWSYNNRHP-MRVPVSSYSA-N -1 0 311.342 -0.047 20 0 DBADRM COC(=O)c1ccc(CC(=O)N2CC[C@@H](c3nnn[n-]3)C2)cn1 ZINC001455134256 1012228271 /nfs/dbraw/zinc/22/82/71/1012228271.db2.gz RVDILCXZBJFMBG-SNVBAGLBSA-N -1 0 316.321 -0.060 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)c1 ZINC001455134709 1012229661 /nfs/dbraw/zinc/22/96/61/1012229661.db2.gz UFYXQJNDYZNZLD-SNVBAGLBSA-N -1 0 316.321 -0.307 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)c1 ZINC001455134704 1012230280 /nfs/dbraw/zinc/23/02/80/1012230280.db2.gz UFYXQJNDYZNZLD-JTQLQIEISA-N -1 0 316.321 -0.307 20 0 DBADRM CC1(NC(=O)Cn2ccnc2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001483977062 1012235575 /nfs/dbraw/zinc/23/55/75/1012235575.db2.gz SNKYJUJUSFICTD-UHFFFAOYSA-N -1 0 319.369 -0.122 20 0 DBADRM CC(=O)N1C[C@@H]2CN(C(=O)CSc3n[nH]c(=O)[n-]3)C[C@@H]2C1 ZINC001455209013 1012277771 /nfs/dbraw/zinc/27/77/71/1012277771.db2.gz XMQQAFJPEOHYJV-DTORHVGOSA-N -1 0 311.367 -0.461 20 0 DBADRM CN(CCNC(=O)[C@@H]1CC1(C)C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001455211875 1012280805 /nfs/dbraw/zinc/28/08/05/1012280805.db2.gz WOTRLAMEURFNGF-QMMMGPOBSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@@H]2CCC(=O)NC2)c1[O-] ZINC001455351299 1012357588 /nfs/dbraw/zinc/35/75/88/1012357588.db2.gz XLNULDDFJCWMOT-SECBINFHSA-N -1 0 323.353 -0.862 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)c1ccsc1 ZINC001455371976 1012367280 /nfs/dbraw/zinc/36/72/80/1012367280.db2.gz ZKOZZQOBDZGXNB-UHFFFAOYSA-N -1 0 323.334 -0.154 20 0 DBADRM Cc1nonc1CC(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001455435145 1012402230 /nfs/dbraw/zinc/40/22/30/1012402230.db2.gz YYLHZYQTPUVHFT-UHFFFAOYSA-N -1 0 322.325 -0.454 20 0 DBADRM CCC[C@@H](C)CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484264618 1012487844 /nfs/dbraw/zinc/48/78/44/1012487844.db2.gz SSJOVKYUEVUPDX-SNVBAGLBSA-N -1 0 311.386 -0.001 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3cnns3)C2)c1[O-] ZINC001484266949 1012491576 /nfs/dbraw/zinc/49/15/76/1012491576.db2.gz BSAMUBQAYOJEGM-UHFFFAOYSA-N -1 0 324.366 -0.748 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N[C@H](COC)c1nnn[n-]1)C(C)=O ZINC001455729523 1012494968 /nfs/dbraw/zinc/49/49/68/1012494968.db2.gz MLBZZUBSTOSBHI-DTWKUNHWSA-N -1 0 313.314 -0.838 20 0 DBADRM CCn1cc(CC(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)nn1 ZINC001455733736 1012495924 /nfs/dbraw/zinc/49/59/24/1012495924.db2.gz DAIDONGMKREZOY-JTQLQIEISA-N -1 0 304.358 -0.165 20 0 DBADRM COC[C@@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)c1nnn[n-]1 ZINC001455730965 1012496027 /nfs/dbraw/zinc/49/60/27/1012496027.db2.gz TZWWOSRTPRDTOF-FWKUWYBHSA-N -1 0 309.326 -0.755 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)c1ccc(C)s1)c1nnn[n-]1 ZINC001455734022 1012497956 /nfs/dbraw/zinc/49/79/56/1012497956.db2.gz FRSQDCQYNIFERG-QMMMGPOBSA-N -1 0 324.366 -0.197 20 0 DBADRM COC[C@@H](NC(=O)c1ccnc(C(=O)OC)c1)c1nnn[n-]1 ZINC001455730841 1012498221 /nfs/dbraw/zinc/49/82/21/1012498221.db2.gz SPQFYCSDLTUOCX-SECBINFHSA-N -1 0 306.282 -0.501 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@H](O)c2c[nH]cn2)cc1=O ZINC001455739012 1012499851 /nfs/dbraw/zinc/49/98/51/1012499851.db2.gz KWXNYMHSMLGAOI-LBPRGKRZSA-N -1 0 307.354 -0.052 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001455750099 1012505040 /nfs/dbraw/zinc/50/50/40/1012505040.db2.gz CQMXYJJCBSLLJC-GUBZILKMSA-N -1 0 323.353 -0.548 20 0 DBADRM CO[C@]1(CNC(=O)c2[nH]nc(C)c2[O-])CCS(=O)(=O)C1 ZINC001455968878 1012553855 /nfs/dbraw/zinc/55/38/55/1012553855.db2.gz ZLWSSCDRBZPTAS-NSHDSACASA-N -1 0 303.340 -0.643 20 0 DBADRM CC(C)[C@]1(C)C[C@@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484303940 1012557478 /nfs/dbraw/zinc/55/74/78/1012557478.db2.gz RTVSWGZUSWSAIV-YGRLFVJLSA-N -1 0 323.397 -0.145 20 0 DBADRM CC[C@@H](C)C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001456205364 1012575933 /nfs/dbraw/zinc/57/59/33/1012575933.db2.gz BEXOXWCDXMZZRN-MRVPVSSYSA-N -1 0 308.338 -0.527 20 0 DBADRM CO[N-]C(=O)CNC(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC001456588647 1012768184 /nfs/dbraw/zinc/76/81/84/1012768184.db2.gz GZUSWAZZLRGHPJ-UHFFFAOYSA-N -1 0 321.399 -0.722 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)Cc1ccccc1CNC(=O)C(N)=O ZINC001484556369 1012769155 /nfs/dbraw/zinc/76/91/55/1012769155.db2.gz SRCMNFCBCDHRJS-UHFFFAOYSA-N -1 0 318.337 -0.756 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001456779793 1012813835 /nfs/dbraw/zinc/81/38/35/1012813835.db2.gz CZJBNPUKUHTKLL-JGVFFNPUSA-N -1 0 304.372 -0.369 20 0 DBADRM C[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)c1nn(C)cc1[O-] ZINC001456784393 1012815376 /nfs/dbraw/zinc/81/53/76/1012815376.db2.gz DGPPZBFQGIEZSN-QMMMGPOBSA-N -1 0 309.326 -0.726 20 0 DBADRM C[C@@H](NC(=O)C1=NN(CCO)C(=O)CC1)c1nn(C)cc1[O-] ZINC001456784385 1012815896 /nfs/dbraw/zinc/81/58/96/1012815896.db2.gz DGPPZBFQGIEZSN-MRVPVSSYSA-N -1 0 309.326 -0.726 20 0 DBADRM C[C@@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)CNC(=O)C1CC1 ZINC001457258963 1012860001 /nfs/dbraw/zinc/86/00/01/1012860001.db2.gz ZZCSGLYXGUHINQ-QMMMGPOBSA-N -1 0 323.353 -0.506 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001484796430 1012862089 /nfs/dbraw/zinc/86/20/89/1012862089.db2.gz VKQXBKPWEIJCNW-RZCNENHTSA-N -1 0 307.354 -0.064 20 0 DBADRM O=C(c1ccoc1)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001484828277 1012868577 /nfs/dbraw/zinc/86/85/77/1012868577.db2.gz DOTIDODDCITQGP-CQSZACIVSA-N -1 0 321.337 -0.140 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001595979823 1017110090 /nfs/dbraw/zinc/11/00/90/1017110090.db2.gz AEVQEBFJDRENRJ-GFCCVEGCSA-N -1 0 307.368 -0.049 20 0 DBADRM CCCn1c(C)nnc1CNCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596108964 1017112587 /nfs/dbraw/zinc/11/25/87/1017112587.db2.gz YOEYESZUFNTCBM-MNOVXSKESA-N -1 0 309.370 -0.077 20 0 DBADRM CCCS(=O)(=O)CCN1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001595980201 1017112661 /nfs/dbraw/zinc/11/26/61/1017112661.db2.gz KZEJNMCBPRTHST-ZJUUUORDSA-N -1 0 307.368 -0.383 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001595980281 1017112817 /nfs/dbraw/zinc/11/28/17/1017112817.db2.gz NZVXRHMZDDIKGJ-LLVKDONJSA-N -1 0 320.411 -0.181 20 0 DBADRM CCCn1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001596112118 1017113070 /nfs/dbraw/zinc/11/30/70/1017113070.db2.gz ODZDIPDILGWSCW-RYUDHWBXSA-N -1 0 320.349 -0.046 20 0 DBADRM CCC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)C(=O)[O-] ZINC001595992940 1017113193 /nfs/dbraw/zinc/11/31/93/1017113193.db2.gz MVDVSIZQGOGHGC-ZJUUUORDSA-N -1 0 315.370 -0.238 20 0 DBADRM CCN([C@@H]1CCNC1=O)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001596196672 1017119581 /nfs/dbraw/zinc/11/95/81/1017119581.db2.gz KBPXHEQFXGOAOF-MRVPVSSYSA-N -1 0 302.308 -0.123 20 0 DBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C/C(C)=C/C(=O)[O-] ZINC001596207202 1017119909 /nfs/dbraw/zinc/11/99/09/1017119909.db2.gz RBBKTIHMFMMCNO-CDCCAWJDSA-N -1 0 318.395 -0.358 20 0 DBADRM CCN(CC(C)C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001596231535 1017120361 /nfs/dbraw/zinc/12/03/61/1017120361.db2.gz PCTDRHJBVHERQW-MNOVXSKESA-N -1 0 300.355 -0.215 20 0 DBADRM CCN(C)S(=O)(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001596194658 1017120784 /nfs/dbraw/zinc/12/07/84/1017120784.db2.gz RTRQNTDCLOQYNG-QMMMGPOBSA-N -1 0 303.344 -0.580 20 0 DBADRM CCN(CC(=O)[O-])CC(=O)N[C@@H](C(=O)NC)c1ccccc1 ZINC001596222085 1017121125 /nfs/dbraw/zinc/12/11/25/1017121125.db2.gz FAQGHZVNGOVIDY-CQSZACIVSA-N -1 0 307.350 -0.004 20 0 DBADRM CCN(CCC(=O)NC)C(=O)COCc1ocnc1C(=O)[O-] ZINC001596300403 1017125014 /nfs/dbraw/zinc/12/50/14/1017125014.db2.gz ZCRZJIBOCPUKDM-UHFFFAOYSA-N -1 0 313.310 -0.126 20 0 DBADRM CCN(CCC(=O)NC)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001596300101 1017125200 /nfs/dbraw/zinc/12/52/00/1017125200.db2.gz NATWLOGCAJNAKP-SNVBAGLBSA-N -1 0 313.354 -0.706 20 0 DBADRM CCN(CCCNC(=O)NC[C@H]1C[C@H]1C(=O)[O-])S(C)(=O)=O ZINC001596327198 1017126621 /nfs/dbraw/zinc/12/66/21/1017126621.db2.gz SXIDUNSTADTAKV-NXEZZACHSA-N -1 0 321.399 -0.322 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)Cc1nnc(C)[nH]1 ZINC001596332933 1017128051 /nfs/dbraw/zinc/12/80/51/1017128051.db2.gz MUORYXJTVBHWJW-NXEZZACHSA-N -1 0 323.353 -0.659 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)Cc1cnc[nH]1 ZINC001596331652 1017128187 /nfs/dbraw/zinc/12/81/87/1017128187.db2.gz CUMJOBQCTQMNLU-MNOVXSKESA-N -1 0 308.338 -0.362 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)C(C)(C)C(N)=O ZINC001596333315 1017128303 /nfs/dbraw/zinc/12/83/03/1017128303.db2.gz PQJDYXKNQYPRPR-BDAKNGLRSA-N -1 0 313.354 -0.817 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc2nnnn2n1 ZINC001596332638 1017128871 /nfs/dbraw/zinc/12/88/71/1017128871.db2.gz KPCBXUUMAGAZKC-IUCAKERBSA-N -1 0 319.325 -0.818 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1cnnn1CC ZINC001596331492 1017129007 /nfs/dbraw/zinc/12/90/07/1017129007.db2.gz BGOMOYPWZAGPNC-NXEZZACHSA-N -1 0 323.353 -0.403 20 0 DBADRM CCN(CCNc1ccnc(C(=O)[O-])n1)C(=O)C1(C(N)=O)CC1 ZINC001596339241 1017130563 /nfs/dbraw/zinc/13/05/63/1017130563.db2.gz HGXKPOTWEDAWSN-UHFFFAOYSA-N -1 0 321.337 -0.877 20 0 DBADRM CCN(CCNC(=O)CCc1cn[nH]n1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596333978 1017130996 /nfs/dbraw/zinc/13/09/96/1017130996.db2.gz YBKXZIMPUHJLAO-WDEREUQCSA-N -1 0 323.353 -0.577 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1ccc(=O)[nH]n1 ZINC001596333966 1017131185 /nfs/dbraw/zinc/13/11/85/1017131185.db2.gz XXPYOTHYTCJXTG-DTWKUNHWSA-N -1 0 322.321 -0.519 20 0 DBADRM CCN(CCNC(=O)c1cnns1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596335401 1017132174 /nfs/dbraw/zinc/13/21/74/1017132174.db2.gz OZHMOTPCYDBPPK-JGVFFNPUSA-N -1 0 312.351 -0.163 20 0 DBADRM CCN(CCNC(=O)Cn1cncn1)c1ccnc(C(=O)[O-])n1 ZINC001596334238 1017132328 /nfs/dbraw/zinc/13/23/28/1017132328.db2.gz APEHMIWPVOIHFT-UHFFFAOYSA-N -1 0 319.325 -0.591 20 0 DBADRM CCN(CCOCCO)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001596345452 1017134018 /nfs/dbraw/zinc/13/40/18/1017134018.db2.gz KKQIXBVMKAXOIC-LLVKDONJSA-N -1 0 316.354 -0.833 20 0 DBADRM CCN(CCSC)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001596347264 1017134529 /nfs/dbraw/zinc/13/45/29/1017134529.db2.gz NUIOUJPAYZRBAD-ZJUUUORDSA-N -1 0 318.395 -0.508 20 0 DBADRM CCN1C[C@H](CNS(=O)(=O)C2(C(=O)[O-])CCC2)CC1=O ZINC001596397403 1017136774 /nfs/dbraw/zinc/13/67/74/1017136774.db2.gz GNNSNOHWOBFQGM-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CCN1C[C@H](C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])CC1=O ZINC001596394345 1017137025 /nfs/dbraw/zinc/13/70/25/1017137025.db2.gz HOZIXMHTOOUYOP-YGRLFVJLSA-N -1 0 308.338 -0.289 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CC[C@@H]3C(=O)[O-])CCN2C1=O ZINC001596390671 1017137252 /nfs/dbraw/zinc/13/72/52/1017137252.db2.gz YMLNDCNZPRJFND-UTLUCORTSA-N -1 0 309.322 -0.408 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1=O ZINC001596401382 1017137289 /nfs/dbraw/zinc/13/72/89/1017137289.db2.gz CFKMJUZTULINKF-UWVGGRQHSA-N -1 0 302.352 -0.300 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])CC1=O ZINC001596401268 1017137638 /nfs/dbraw/zinc/13/76/38/1017137638.db2.gz ALHQZOYOCRYUBH-NXEZZACHSA-N -1 0 304.368 -0.220 20 0 DBADRM CCN1CC[C@H](N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)C1=O ZINC001596409540 1017139442 /nfs/dbraw/zinc/13/94/42/1017139442.db2.gz OWVMTYODAWLJOL-SWLSCSKDSA-N -1 0 311.382 -0.532 20 0 DBADRM CCN1CC[C@@H](NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1=O ZINC001596409879 1017139529 /nfs/dbraw/zinc/13/95/29/1017139529.db2.gz RFKYIEYETZGVMM-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN1CC[C@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)C1=O ZINC001596410401 1017140040 /nfs/dbraw/zinc/14/00/40/1017140040.db2.gz LTHSPPDTUAMTCS-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1=O ZINC001596403155 1017140757 /nfs/dbraw/zinc/14/07/57/1017140757.db2.gz VNAXQOREVWBOIB-QYTUQVAYSA-N -1 0 316.379 -0.220 20 0 DBADRM CCN1CCC[C@H](NC(=O)Cn2cccc(C(=O)[O-])c2=O)C1=O ZINC001596418813 1017141930 /nfs/dbraw/zinc/14/19/30/1017141930.db2.gz VCWDAIDBTZXLIV-NSHDSACASA-N -1 0 321.333 -0.326 20 0 DBADRM CCN1CCN([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1=O ZINC001596431032 1017142313 /nfs/dbraw/zinc/14/23/13/1017142313.db2.gz FWERNQRYWGMXQN-NSHDSACASA-N -1 0 311.382 -0.138 20 0 DBADRM CCN1CCN(C(=O)C(=O)Nc2nn(C)cc2C(=O)[O-])[C@H](C)C1 ZINC001596427894 1017142811 /nfs/dbraw/zinc/14/28/11/1017142811.db2.gz VQIKKNNJLZKDEU-SECBINFHSA-N -1 0 323.353 -0.391 20 0 DBADRM CCN1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1=O ZINC001596425350 1017144076 /nfs/dbraw/zinc/14/40/76/1017144076.db2.gz AGFRIYQLOUJATQ-UHFFFAOYSA-N -1 0 307.372 -0.808 20 0 DBADRM CCN1CCOC[C@H]1C(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001596444240 1017145568 /nfs/dbraw/zinc/14/55/68/1017145568.db2.gz LJLXRRXHQIIRKC-FZMZJTMJSA-N -1 0 300.355 -0.153 20 0 DBADRM CCNC(=O)CC(=O)N1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001596456269 1017148706 /nfs/dbraw/zinc/14/87/06/1017148706.db2.gz IQGVQQKIEGTGOS-UHFFFAOYSA-N -1 0 321.337 -0.650 20 0 DBADRM CCNC(=O)C1(CNC(=O)NCCOCC(=O)[O-])CCC1 ZINC001596452495 1017149106 /nfs/dbraw/zinc/14/91/06/1017149106.db2.gz XJGXANHCHRNMKY-UHFFFAOYSA-N -1 0 301.343 -0.307 20 0 DBADRM CCNC(=O)CCCC(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001596457215 1017149968 /nfs/dbraw/zinc/14/99/68/1017149968.db2.gz RITAJHGUNYBHJY-VIFPVBQESA-N -1 0 302.327 -0.375 20 0 DBADRM CCNC(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001596456068 1017150149 /nfs/dbraw/zinc/15/01/49/1017150149.db2.gz DVUKGGWJKDWGSU-IUCAKERBSA-N -1 0 323.353 -0.572 20 0 DBADRM CCNC(=O)CN1CCN(C[C@@H]2[C@H](C(=O)[O-])C2(F)F)CC1 ZINC001596462408 1017152267 /nfs/dbraw/zinc/15/22/67/1017152267.db2.gz ZPJZQLWDERQTFH-MWLCHTKSSA-N -1 0 305.325 -0.294 20 0 DBADRM CCNC(=O)N1CCN([C@@H](CCC(=O)OC)C(=O)[O-])CC1 ZINC001596468362 1017152285 /nfs/dbraw/zinc/15/22/85/1017152285.db2.gz IRDLXLSISFBJLN-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001596495600 1017154044 /nfs/dbraw/zinc/15/40/44/1017154044.db2.gz BNLRULAYVPNNFF-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)CC(=O)[O-] ZINC001596519042 1017154056 /nfs/dbraw/zinc/15/40/56/1017154056.db2.gz JHYSZSRNXIPZTH-VGMNWLOBSA-N -1 0 302.327 -0.330 20 0 DBADRM CCNS(=O)(=O)CCNc1ncnc(C(=O)[O-])c1OC ZINC001596495996 1017154091 /nfs/dbraw/zinc/15/40/91/1017154091.db2.gz OZRRMFDEJGJRPR-UHFFFAOYSA-N -1 0 304.328 -0.465 20 0 DBADRM CCOC(=O)[C@@H](C(=O)N1CC(O)(C(=O)[O-])C1)c1ccccc1 ZINC001596509322 1017154334 /nfs/dbraw/zinc/15/43/34/1017154334.db2.gz HFVDVBUSYSLYEW-LLVKDONJSA-N -1 0 307.302 -0.009 20 0 DBADRM CCOC(=O)[C@H](C(=O)N1CC(O)(C(=O)[O-])C1)c1ccccc1 ZINC001596509323 1017155685 /nfs/dbraw/zinc/15/56/85/1017155685.db2.gz HFVDVBUSYSLYEW-NSHDSACASA-N -1 0 307.302 -0.009 20 0 DBADRM CCOC(=O)C1(O)CCN([C@H](CCC(=O)[O-])C(=O)OC)CC1 ZINC001596559829 1017157067 /nfs/dbraw/zinc/15/70/67/1017157067.db2.gz NZAGTBFPXZDNLW-SNVBAGLBSA-N -1 0 317.338 -0.217 20 0 DBADRM CCOC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001596534569 1017157886 /nfs/dbraw/zinc/15/78/86/1017157886.db2.gz KPTYHRDZZUAEOQ-LURJTMIESA-N -1 0 307.280 -0.820 20 0 DBADRM CCOC(=O)/C=C/CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001596583958 1017159967 /nfs/dbraw/zinc/15/99/67/1017159967.db2.gz QQFUPOUPRPQCGU-HMDXOVGESA-N -1 0 305.352 -0.321 20 0 DBADRM CCOC(=O)C12CC(C1)CN2CCc1cn(CC(=O)[O-])nn1 ZINC001596563477 1017160489 /nfs/dbraw/zinc/16/04/89/1017160489.db2.gz RWSXNQAZFFRXAU-UHFFFAOYSA-N -1 0 308.338 -0.067 20 0 DBADRM CCOC(=O)[C@H]1CCCN(CC(=O)N[C@H](COC)C(=O)[O-])C1 ZINC001596574770 1017161233 /nfs/dbraw/zinc/16/12/33/1017161233.db2.gz SGVJHWKUWZEMBG-WDEREUQCSA-N -1 0 316.354 -0.523 20 0 DBADRM CCOC(=O)CN(C(=O)Cn1cc(C(=O)[O-])nn1)C1CCC1 ZINC001596616078 1017162283 /nfs/dbraw/zinc/16/22/83/1017162283.db2.gz NLGMWMZRXNVEPA-UHFFFAOYSA-N -1 0 310.310 -0.080 20 0 DBADRM CCOC(=O)NCC(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001596659377 1017164648 /nfs/dbraw/zinc/16/46/48/1017164648.db2.gz QOHDZMADNVAQMG-MRVPVSSYSA-N -1 0 304.299 -0.545 20 0 DBADRM CCOC(=O)NCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001596659097 1017165068 /nfs/dbraw/zinc/16/50/68/1017165068.db2.gz ISWQFWWOOBQOAX-HTQZYQBOSA-N -1 0 302.283 -0.935 20 0 DBADRM CCOC(=O)NCC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001596659103 1017165086 /nfs/dbraw/zinc/16/50/86/1017165086.db2.gz ISWQFWWOOBQOAX-YUMQZZPRSA-N -1 0 302.283 -0.935 20 0 DBADRM CCOC(=O)N(C)CCCC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001596640081 1017165221 /nfs/dbraw/zinc/16/52/21/1017165221.db2.gz KEZQSNJLPHEFRN-CYBMUJFWSA-N -1 0 302.327 -0.097 20 0 DBADRM CCOC(=O)N1CCC[C@H](C(=O)N[C@](C)(CO)C(=O)[O-])C1 ZINC001596651325 1017165572 /nfs/dbraw/zinc/16/55/72/1017165572.db2.gz UZYWKYAYIVRHCK-TVQRCGJNSA-N -1 0 302.327 -0.193 20 0 DBADRM CCOC(=O)N1C[C@H](NC(=O)NCCCC(=O)[O-])[C@@H](CO)C1 ZINC001596642845 1017165830 /nfs/dbraw/zinc/16/58/30/1017165830.db2.gz JYCGVALQFPYIIG-ZJUUUORDSA-N -1 0 317.342 -0.400 20 0 DBADRM CCOC(=O)COCCNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001596629275 1017165877 /nfs/dbraw/zinc/16/58/77/1017165877.db2.gz QWDUBTXUYKWEJK-UHFFFAOYSA-N -1 0 321.307 -0.164 20 0 DBADRM CCO[C@@H](C(=O)NC1(C(=O)[O-])CC(CO)C1)[C@H]1CCOC1 ZINC001596762585 1017167966 /nfs/dbraw/zinc/16/79/66/1017167966.db2.gz VZGDFRAOXSYGQF-DUEVMTECSA-N -1 0 301.339 -0.230 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])C1 ZINC001596677640 1017167986 /nfs/dbraw/zinc/16/79/86/1017167986.db2.gz JZLHFRHSOBDYQR-AXFHLTTASA-N -1 0 324.337 -0.173 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC[C@H]1C(=O)[O-] ZINC001596696777 1017168166 /nfs/dbraw/zinc/16/81/66/1017168166.db2.gz RAWRWGAGYZGEME-ZETCQYMHSA-N -1 0 317.323 -0.258 20 0 DBADRM CCO[C@H](C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1CC1 ZINC001596761758 1017168175 /nfs/dbraw/zinc/16/81/75/1017168175.db2.gz DMFMTSCLWSCCPN-JTQLQIEISA-N -1 0 319.379 -0.050 20 0 DBADRM CCO[C@@H](C(=O)NC1(C(=O)[O-])CC(CO)C1)[C@@H]1CCOC1 ZINC001596762589 1017168814 /nfs/dbraw/zinc/16/88/14/1017168814.db2.gz VZGDFRAOXSYGQF-JXRVJTEKSA-N -1 0 301.339 -0.230 20 0 DBADRM CCO[C@H](C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)C1CC1 ZINC001596762479 1017169049 /nfs/dbraw/zinc/16/90/49/1017169049.db2.gz UNVJZUBVYUNIFK-OUJBWJOFSA-N -1 0 319.379 -0.194 20 0 DBADRM CCOC1(C)CN(C(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)C1 ZINC001596797946 1017171349 /nfs/dbraw/zinc/17/13/49/1017171349.db2.gz PWNHJOPMPMRHQZ-UHFFFAOYSA-N -1 0 324.337 -0.148 20 0 DBADRM CCOC(Cn1cc(C(=O)N[C@H](CF)C(=O)[O-])nn1)OCC ZINC001596791079 1017171674 /nfs/dbraw/zinc/17/16/74/1017171674.db2.gz RZCJKSBCMURIJS-MRVPVSSYSA-N -1 0 318.305 -0.170 20 0 DBADRM CCOC(Cn1cc(C(=O)NC[C@H](F)C(=O)[O-])nn1)OCC ZINC001596789934 1017171693 /nfs/dbraw/zinc/17/16/93/1017171693.db2.gz IARVDGNXFNWZHI-QMMMGPOBSA-N -1 0 318.305 -0.170 20 0 DBADRM CCO[C@@H]1C[C@](NC(=O)[C@H]2COC(=O)N2)(C(=O)[O-])C1(C)C ZINC001596826449 1017173708 /nfs/dbraw/zinc/17/37/08/1017173708.db2.gz ABJPOXVVEXHLSJ-RBDZCENOSA-N -1 0 300.311 -0.131 20 0 DBADRM CCO[C@H]1C[C@@](NC(=O)[C@H](C)NC(N)=O)(C(=O)[O-])C1(C)C ZINC001596829680 1017174315 /nfs/dbraw/zinc/17/43/15/1017174315.db2.gz YRNKALMUWITJAN-UVPNAGLESA-N -1 0 301.343 -0.182 20 0 DBADRM CCOCC[C@@H](O)CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001596899381 1017177681 /nfs/dbraw/zinc/17/76/81/1017177681.db2.gz XFVDOIFVWBBLLQ-NOZJJQNGSA-N -1 0 302.327 -0.051 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001596889137 1017178222 /nfs/dbraw/zinc/17/82/22/1017178222.db2.gz IYDXYXQUQJUNHT-HBNTYKKESA-N -1 0 309.384 -0.101 20 0 DBADRM CCOCCN(C)C(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001596923353 1017178359 /nfs/dbraw/zinc/17/83/59/1017178359.db2.gz QMCYLFAZUNLLAU-ZDUSSCGKSA-N -1 0 302.327 -0.817 20 0 DBADRM CCOCCCNC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001596916818 1017178972 /nfs/dbraw/zinc/17/89/72/1017178972.db2.gz LYYFYAZVPDZFEK-VHSXEESVSA-N -1 0 302.327 -0.072 20 0 DBADRM CCOCCCNC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001596917489 1017178979 /nfs/dbraw/zinc/17/89/79/1017178979.db2.gz XVTNFDSASLTDFW-UHFFFAOYSA-N -1 0 312.326 -0.243 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC001596945420 1017181450 /nfs/dbraw/zinc/18/14/50/1017181450.db2.gz ZYTRBSWTTCSCFT-LBPRGKRZSA-N -1 0 322.383 -0.592 20 0 DBADRM CCOCCNC(=O)CN1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001596929479 1017181571 /nfs/dbraw/zinc/18/15/71/1017181571.db2.gz IXZDFRGIZBCZBC-WDEREUQCSA-N -1 0 316.354 -0.523 20 0 DBADRM CCOCCOC1CN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001596935879 1017181880 /nfs/dbraw/zinc/18/18/80/1017181880.db2.gz ZPVJSQFYSZEEAP-UHFFFAOYSA-N -1 0 320.323 -0.201 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001596980392 1017183479 /nfs/dbraw/zinc/18/34/79/1017183479.db2.gz AYLMZXWOSIDWGH-GWOFURMSSA-N -1 0 302.327 -0.326 20 0 DBADRM CCS(=O)(=O)CCCNS(=O)(=O)N(C)CCC(=O)[O-] ZINC001597209840 1017188663 /nfs/dbraw/zinc/18/86/63/1017188663.db2.gz OZDCDVCGQOKHLK-UHFFFAOYSA-N -1 0 316.401 -0.948 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001596980584 1017183985 /nfs/dbraw/zinc/18/39/85/1017183985.db2.gz ILOPLKHILQDKGB-NXEZZACHSA-N -1 0 323.305 -0.362 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001596980534 1017184306 /nfs/dbraw/zinc/18/43/06/1017184306.db2.gz GMLKMDUQOXFRSU-HBNTYKKESA-N -1 0 314.338 -0.770 20 0 DBADRM CCOc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])[nH]n1 ZINC001596997775 1017184321 /nfs/dbraw/zinc/18/43/21/1017184321.db2.gz HLFPKHKCRLCGOV-SECBINFHSA-N -1 0 310.310 -0.386 20 0 DBADRM CCOc1cc(C(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])[nH]n1 ZINC001597005283 1017184349 /nfs/dbraw/zinc/18/43/49/1017184349.db2.gz CLCRCVHSANUKSR-SFYZADRCSA-N -1 0 310.310 -0.625 20 0 DBADRM CCON(C)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001596963508 1017184499 /nfs/dbraw/zinc/18/44/99/1017184499.db2.gz MMOMJRHANWADNZ-UHFFFAOYSA-N -1 0 320.323 -0.026 20 0 DBADRM CCON(CC)C(=O)CNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001596964380 1017184710 /nfs/dbraw/zinc/18/47/10/1017184710.db2.gz UFORYXQJFZJQKH-UHFFFAOYSA-N -1 0 322.383 -0.039 20 0 DBADRM CCS(=O)(=O)NCCCOC(=O)c1cc(C(=O)[O-])no1 ZINC001597225671 1017192710 /nfs/dbraw/zinc/19/27/10/1017192710.db2.gz VYDVEPBCHBUCKE-UHFFFAOYSA-N -1 0 306.296 -0.141 20 0 DBADRM CCOc1cnc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)cn1 ZINC001597186527 1017185634 /nfs/dbraw/zinc/18/56/34/1017185634.db2.gz WGDZVIXFOLJQTB-RKDXNWHRSA-N -1 0 323.305 -0.179 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCCOCC(=O)[O-] ZINC001597207435 1017189714 /nfs/dbraw/zinc/18/97/14/1017189714.db2.gz GLYMSBAYFSPTCL-SECBINFHSA-N -1 0 310.372 -0.448 20 0 DBADRM CN1C[C@@H](NC(=O)CSc2n[n-]c(=S)s2)C(=O)N1 ZINC001597619410 1017202475 /nfs/dbraw/zinc/20/24/75/1017202475.db2.gz NVWFRAJQXYEFRO-SCSAIBSYSA-N -1 0 305.410 -0.620 20 0 DBADRM CC[S@@](=O)CCNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001597250235 1017192537 /nfs/dbraw/zinc/19/25/37/1017192537.db2.gz PKPVMYZPSILQKD-GOSISDBHSA-N -1 0 308.381 -0.230 20 0 DBADRM CC[S@@](=O)CCNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001597250668 1017195337 /nfs/dbraw/zinc/19/53/37/1017195337.db2.gz UTZDNZGTDOGVAK-LAJNKCICSA-N -1 0 317.367 -0.230 20 0 DBADRM CC[C@@H]1C[C@H]1NC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001597301367 1017196055 /nfs/dbraw/zinc/19/60/55/1017196055.db2.gz RVIHMSYYRHFSKU-QJPTWQEYSA-N -1 0 311.382 -0.092 20 0 DBADRM CC[C@@H](O)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001597292079 1017196388 /nfs/dbraw/zinc/19/63/88/1017196388.db2.gz SAOHOFHZQJKZIN-BXKDBHETSA-N -1 0 322.317 -0.248 20 0 DBADRM CC[C@@H]1C[C@H]1NC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001597301097 1017196658 /nfs/dbraw/zinc/19/66/58/1017196658.db2.gz ITYHNYNCMQWZHH-JNIYBQFBSA-N -1 0 310.350 -0.149 20 0 DBADRM CCc1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1C ZINC001597429659 1017198285 /nfs/dbraw/zinc/19/82/85/1017198285.db2.gz NBSHUYGUJVRUBQ-WDEREUQCSA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1C ZINC001597429657 1017198449 /nfs/dbraw/zinc/19/84/49/1017198449.db2.gz NBSHUYGUJVRUBQ-MNOVXSKESA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1n[nH]cc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597399897 1017198569 /nfs/dbraw/zinc/19/85/69/1017198569.db2.gz PHDRLFDZFKWNNS-RKDXNWHRSA-N -1 0 306.322 -0.367 20 0 DBADRM CCc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001597429402 1017198590 /nfs/dbraw/zinc/19/85/90/1017198590.db2.gz CATHENYUZYZEQP-ZJUUUORDSA-N -1 0 306.322 -0.367 20 0 DBADRM CCc1c(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cnn1C ZINC001597402630 1017198620 /nfs/dbraw/zinc/19/86/20/1017198620.db2.gz QKGKSNKCACCJBX-ZJUUUORDSA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1cc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)n[nH]1 ZINC001597471161 1017199281 /nfs/dbraw/zinc/19/92/81/1017199281.db2.gz SDNHASFCXLIFQF-KWQFWETISA-N -1 0 308.338 -0.090 20 0 DBADRM CCc1cnc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])s1 ZINC001597631804 1017200305 /nfs/dbraw/zinc/20/03/05/1017200305.db2.gz HASMBHREUJYVRS-LURJTMIESA-N -1 0 301.324 -0.404 20 0 DBADRM CCc1nc(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)co1 ZINC001597651114 1017201177 /nfs/dbraw/zinc/20/11/77/1017201177.db2.gz URJFUPSCXAZBIZ-QPUJVOFHSA-N -1 0 316.335 -0.145 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)no1 ZINC001597477634 1017201541 /nfs/dbraw/zinc/20/15/41/1017201541.db2.gz HDODKCSBVLZQSG-SFYZADRCSA-N -1 0 311.294 -0.531 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)no1 ZINC001597477609 1017202113 /nfs/dbraw/zinc/20/21/13/1017202113.db2.gz FLUFWXPNQUTLMZ-UHFFFAOYSA-N -1 0 311.294 -0.386 20 0 DBADRM CCc1cc(NC(=O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)nn1C ZINC001597477911 1017202195 /nfs/dbraw/zinc/20/21/95/1017202195.db2.gz QEURWMRAYBPIQQ-CQSZACIVSA-N -1 0 324.337 -0.329 20 0 DBADRM CCc1cncc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC001597632413 1017202325 /nfs/dbraw/zinc/20/23/25/1017202325.db2.gz VSGLUDNCWIENMI-LLVKDONJSA-N -1 0 312.347 -0.032 20 0 DBADRM CCc1nc[nH]c1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001597697422 1017203540 /nfs/dbraw/zinc/20/35/40/1017203540.db2.gz DLFAYAPAEAYTFT-MRVPVSSYSA-N -1 0 301.324 -0.704 20 0 DBADRM CCc1nc(CNC2(C(=O)[O-])CCS(=O)(=O)CC2)no1 ZINC001597669681 1017203795 /nfs/dbraw/zinc/20/37/95/1017203795.db2.gz CPPIOGPZHVTHTP-UHFFFAOYSA-N -1 0 303.340 -0.246 20 0 DBADRM CCc1nnc(CNC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)[nH]1 ZINC001597669679 1017204075 /nfs/dbraw/zinc/20/40/75/1017204075.db2.gz CJEQREBROYWDAQ-ZDUSSCGKSA-N -1 0 322.325 -0.118 20 0 DBADRM CCc1nncn1CCN1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001597735504 1017205379 /nfs/dbraw/zinc/20/53/79/1017205379.db2.gz FZMULVADQMGFHS-ZJUUUORDSA-N -1 0 321.337 -0.032 20 0 DBADRM CCc1nnc2ccc(N3C[C@H](C(=O)[O-])[C@H](C(=O)OC)C3)nn21 ZINC001597735430 1017206432 /nfs/dbraw/zinc/20/64/32/1017206432.db2.gz CVXNJNKRSIGGOL-DTWKUNHWSA-N -1 0 319.321 -0.003 20 0 DBADRM CCc1nncn1CCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001597736397 1017206533 /nfs/dbraw/zinc/20/65/33/1017206533.db2.gz UXIRRMXEKUELFE-SNVBAGLBSA-N -1 0 323.353 -0.578 20 0 DBADRM CCn1c([C@H]2CCC(=O)NC2)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001597844937 1017207958 /nfs/dbraw/zinc/20/79/58/1017207958.db2.gz SMKMECHICXIKNS-VHSXEESVSA-N -1 0 323.353 -0.419 20 0 DBADRM CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CC(=O)[O-])C1 ZINC001597843116 1017208236 /nfs/dbraw/zinc/20/82/36/1017208236.db2.gz GYZIWJUUUAEYPI-NXEZZACHSA-N -1 0 323.353 -0.071 20 0 DBADRM CCc1ocnc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597824770 1017208633 /nfs/dbraw/zinc/20/86/33/1017208633.db2.gz QOPJBTGACVJGSZ-RKDXNWHRSA-N -1 0 307.306 -0.102 20 0 DBADRM CCn1c(C[S@@](C)=O)nnc1N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001597855702 1017208965 /nfs/dbraw/zinc/20/89/65/1017208965.db2.gz GWOVBHLKHQGGPW-VRNWYBPDSA-N -1 0 316.383 -0.145 20 0 DBADRM CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC[C@H](F)C(=O)[O-])ccc21 ZINC001597835596 1017209032 /nfs/dbraw/zinc/20/90/32/1017209032.db2.gz JCDBYAKOMMIGHJ-QMMMGPOBSA-N -1 0 323.280 -0.138 20 0 DBADRM CCn1c(-c2cn(C)nn2)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001597826290 1017209449 /nfs/dbraw/zinc/20/94/49/1017209449.db2.gz BJACGUBJOIQPLK-SCZZXKLOSA-N -1 0 321.341 -0.228 20 0 DBADRM CCn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1[C@@]1(O)CCOC1 ZINC001597858253 1017209664 /nfs/dbraw/zinc/20/96/64/1017209664.db2.gz CBJNQEQBOYNFMD-TVQRCGJNSA-N -1 0 312.326 -0.804 20 0 DBADRM CCn1c(CC2CC(O)C2)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001597850568 1017209733 /nfs/dbraw/zinc/20/97/33/1017209733.db2.gz PFNUIBXFASKJGN-VQXHTEKXSA-N -1 0 310.354 -0.099 20 0 DBADRM CCn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1[C@]1(C)CNC(=O)C1 ZINC001597858195 1017209740 /nfs/dbraw/zinc/20/97/40/1017209740.db2.gz ATCVOMSLQSOENJ-OTYXRUKQSA-N -1 0 323.353 -0.635 20 0 DBADRM CCn1cc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001597877099 1017210583 /nfs/dbraw/zinc/21/05/83/1017210583.db2.gz REMLVRGLJWJPDR-BDAKNGLRSA-N -1 0 309.326 -0.793 20 0 DBADRM CCn1cc(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)OC)nn1 ZINC001597881087 1017210966 /nfs/dbraw/zinc/21/09/66/1017210966.db2.gz SVEHDLGYBITVJZ-ONGXEEELSA-N -1 0 324.337 -0.295 20 0 DBADRM CCn1cc(CNC(=O)c2ccc(C(=O)[O-])[nH]2)c(=O)[nH]c1=O ZINC001597889607 1017211075 /nfs/dbraw/zinc/21/10/75/1017211075.db2.gz KNRBRNXOWGRURN-UHFFFAOYSA-N -1 0 306.278 -0.075 20 0 DBADRM CCn1cc(CNC/C=C/CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001597890706 1017211457 /nfs/dbraw/zinc/21/14/57/1017211457.db2.gz OWTYQWBMHNUFSK-LXYZTQFVSA-N -1 0 307.354 -0.219 20 0 DBADRM CCn1cc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])cn1 ZINC001597875837 1017211852 /nfs/dbraw/zinc/21/18/52/1017211852.db2.gz RDKFKSMWEAWQQL-SNVBAGLBSA-N -1 0 315.351 -0.383 20 0 DBADRM CCn1ccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)n1 ZINC001597905153 1017213336 /nfs/dbraw/zinc/21/33/36/1017213336.db2.gz VTQLPFFEPFMRJI-ONGXEEELSA-N -1 0 308.338 -0.159 20 0 DBADRM CCn1ccc(C(=O)O[C@@H]2COC[C@H]2n2cc(C(=O)[O-])nn2)n1 ZINC001597905354 1017214048 /nfs/dbraw/zinc/21/40/48/1017214048.db2.gz ZECZADITBWXNNB-GHMZBOCLSA-N -1 0 321.293 -0.010 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)cn1 ZINC001597898242 1017214114 /nfs/dbraw/zinc/21/41/14/1017214114.db2.gz NKHBFXJRPBZVSE-GXSJLCMTSA-N -1 0 317.367 -0.081 20 0 DBADRM CCn1ccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)n1 ZINC001597905149 1017214174 /nfs/dbraw/zinc/21/41/74/1017214174.db2.gz VTQLPFFEPFMRJI-KOLCDFICSA-N -1 0 308.338 -0.159 20 0 DBADRM CCn1cccc(Cn2nnnc2N2CC[C@H](C(=O)[O-])C2)c1=O ZINC001597910853 1017214369 /nfs/dbraw/zinc/21/43/69/1017214369.db2.gz DHIYNWNREZDTQF-NSHDSACASA-N -1 0 318.337 -0.186 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)cn1 ZINC001597898245 1017214450 /nfs/dbraw/zinc/21/44/50/1017214450.db2.gz NKHBFXJRPBZVSE-ONGXEEELSA-N -1 0 317.367 -0.081 20 0 DBADRM CCn1cnc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c1 ZINC001597916429 1017214511 /nfs/dbraw/zinc/21/45/11/1017214511.db2.gz HILPOUOGKNUVTF-UHFFFAOYSA-N -1 0 310.354 -0.238 20 0 DBADRM CCn1ccnc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c1=O ZINC001597911633 1017215107 /nfs/dbraw/zinc/21/51/07/1017215107.db2.gz XVALMSSYUSTDBA-OAHLLOKOSA-N -1 0 322.365 -0.371 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)NC[C@H](O)CC(=O)[O-])c1C ZINC001597943506 1017216411 /nfs/dbraw/zinc/21/64/11/1017216411.db2.gz ZTBUJGISXJIMIE-SECBINFHSA-N -1 0 305.356 -0.366 20 0 DBADRM CCn1nc(C)c(C(=O)NCCNc2ncc(C(=O)[O-])cn2)n1 ZINC001597932600 1017217106 /nfs/dbraw/zinc/21/71/06/1017217106.db2.gz OKFCYKSWZYUSLX-UHFFFAOYSA-N -1 0 319.325 -0.063 20 0 DBADRM CCn1nc(C)c(CNC(=O)Cn2cccc(C(=O)[O-])c2=O)n1 ZINC001597937944 1017217125 /nfs/dbraw/zinc/21/71/25/1017217125.db2.gz BUDGJNLBTUHCTE-UHFFFAOYSA-N -1 0 319.321 -0.217 20 0 DBADRM CCn1nc(C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)ccc1=O ZINC001597926944 1017217643 /nfs/dbraw/zinc/21/76/43/1017217643.db2.gz QMMFICAPJALIQF-GFCCVEGCSA-N -1 0 309.322 -0.127 20 0 DBADRM CCn1cnnc1CCNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001597923579 1017217653 /nfs/dbraw/zinc/21/76/53/1017217653.db2.gz VMZIDYZSTPETPX-UHFFFAOYSA-N -1 0 319.321 -0.483 20 0 DBADRM CCn1ncc(C)c1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001597954496 1017218374 /nfs/dbraw/zinc/21/83/74/1017218374.db2.gz DUAPZSDEHFAYFR-VIFPVBQESA-N -1 0 310.310 -0.538 20 0 DBADRM CCn1nccc1S(=O)(=O)[N-]c1ncn(CC(=O)[O-])n1 ZINC001597967865 1017218815 /nfs/dbraw/zinc/21/88/15/1017218815.db2.gz FQFKPWCCWKYQJA-UHFFFAOYSA-N -1 0 300.300 -0.620 20 0 DBADRM CCn1ncc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001597957264 1017219394 /nfs/dbraw/zinc/21/93/94/1017219394.db2.gz PZWSYRSQNZYJQU-NEPJUHHUSA-N -1 0 309.370 -0.043 20 0 DBADRM CCn1ncc(C(=O)OCCCc2cn(CC(=O)[O-])nn2)n1 ZINC001597954843 1017220132 /nfs/dbraw/zinc/22/01/32/1017220132.db2.gz JGDPWQRRSJVAAQ-UHFFFAOYSA-N -1 0 308.298 -0.236 20 0 DBADRM CCn1nncc1CNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001597975858 1017220990 /nfs/dbraw/zinc/22/09/90/1017220990.db2.gz LTRCCWLZOMQVIV-UHFFFAOYSA-N -1 0 311.323 -0.130 20 0 DBADRM CCn1nnc(C)c1CN1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597972963 1017221273 /nfs/dbraw/zinc/22/12/73/1017221273.db2.gz MCQQXVPEGLGDBC-RYUDHWBXSA-N -1 0 321.381 -0.125 20 0 DBADRM CCn1nncc1C(=O)N(C)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001597974017 1017221840 /nfs/dbraw/zinc/22/18/40/1017221840.db2.gz LXBLBYBLCPNPIY-IUCAKERBSA-N -1 0 309.326 -0.793 20 0 DBADRM CCn1nncc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001597973669 1017222765 /nfs/dbraw/zinc/22/27/65/1017222765.db2.gz DUWNFGJJDORDFI-RKDXNWHRSA-N -1 0 321.337 -0.603 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@H](O)C(F)(F)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597981386 1017223824 /nfs/dbraw/zinc/22/38/24/1017223824.db2.gz CDKCLZWXVHEENM-YIZRAAEISA-N -1 0 320.292 -0.464 20 0 DBADRM CN(C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1)[C@H]1CCSC1 ZINC001597981641 1017224236 /nfs/dbraw/zinc/22/42/36/1017224236.db2.gz DZQFQTYCCTXMKQ-VHSXEESVSA-N -1 0 316.379 -0.348 20 0 DBADRM CN(C(=O)C(=O)NCCC1(C)OCCO1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597984358 1017224713 /nfs/dbraw/zinc/22/47/13/1017224713.db2.gz OFVPONQNQLAVTL-AOOOYVTPSA-N -1 0 314.338 -0.423 20 0 DBADRM CN(C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)[C@@H]1CCSC1 ZINC001597983637 1017224926 /nfs/dbraw/zinc/22/49/26/1017224926.db2.gz YOHAFPSSGXQYDZ-BDAKNGLRSA-N -1 0 302.352 -0.738 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@](C)(C(N)=O)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597983289 1017225229 /nfs/dbraw/zinc/22/52/29/1017225229.db2.gz YXISZAZEUBNDIG-QIBSRJKCSA-N -1 0 311.338 -0.968 20 0 DBADRM CN(C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)[C@@H]1CCCC[C@H]1O ZINC001597983217 1017225306 /nfs/dbraw/zinc/22/53/06/1017225306.db2.gz RLBVLLMIXAEPAX-MXWKQRLJSA-N -1 0 314.338 -0.940 20 0 DBADRM CN(C(=O)N1CC[C@@](F)(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC001598042462 1017231128 /nfs/dbraw/zinc/23/11/28/1017231128.db2.gz YUMXCQUVLGPLHE-KCJUWKMLSA-N -1 0 308.331 -0.276 20 0 DBADRM CN(C(=O)Cn1cnc(N)n1)c1ccc(OCC(=O)[O-])cc1 ZINC001598041856 1017231193 /nfs/dbraw/zinc/23/11/93/1017231193.db2.gz CFVUZZRACLQJRT-UHFFFAOYSA-N -1 0 305.294 -0.013 20 0 DBADRM CN(C(=O)N1CC[C@](F)(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC001598042465 1017231332 /nfs/dbraw/zinc/23/13/32/1017231332.db2.gz YUMXCQUVLGPLHE-LDYMZIIASA-N -1 0 308.331 -0.276 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001598284074 1017255671 /nfs/dbraw/zinc/25/56/71/1017255671.db2.gz YFNCZIGCMFODDU-PLXFAVGWSA-N -1 0 323.343 -0.496 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC001598282100 1017255813 /nfs/dbraw/zinc/25/58/13/1017255813.db2.gz FLLUFUMKWZNBNE-GFCCVEGCSA-N -1 0 316.383 -0.166 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN1CCC[C@H]1C(=O)[O-] ZINC001598283523 1017255943 /nfs/dbraw/zinc/25/59/43/1017255943.db2.gz YNLAROVVEAEAPO-VIFPVBQESA-N -1 0 302.356 -0.413 20 0 DBADRM CN(CCCNC(=O)CCNC(N)=O)c1ncc(C(=O)[O-])cn1 ZINC001598479285 1017273906 /nfs/dbraw/zinc/27/39/06/1017273906.db2.gz GMVDWJNKLSJNJY-UHFFFAOYSA-N -1 0 324.341 -0.824 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)c1cnn(C)c1N ZINC001598495646 1017289862 /nfs/dbraw/zinc/28/98/62/1017289862.db2.gz LISNJRQTGODHOI-UHFFFAOYSA-N -1 0 319.325 -0.325 20 0 DBADRM CN(C[C@H](O)CO)C(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001598503122 1017292384 /nfs/dbraw/zinc/29/23/84/1017292384.db2.gz FHRIERFIIPFOHF-ZETCQYMHSA-N -1 0 302.308 -0.804 20 0 DBADRM CN(Cc1cc[nH]n1)C(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001598508816 1017292462 /nfs/dbraw/zinc/29/24/62/1017292462.db2.gz DTWATWJYNZZFMR-JTQLQIEISA-N -1 0 308.338 -0.015 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cccc3oc(=O)[nH]c32)CC1=O ZINC001598562305 1017305702 /nfs/dbraw/zinc/30/57/02/1017305702.db2.gz JERYYWVQONNDAI-MRVPVSSYSA-N -1 0 319.273 -0.099 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cnc3c[nH]nc3c2)CC1=O ZINC001598562966 1017306119 /nfs/dbraw/zinc/30/61/19/1017306119.db2.gz HJKMCHRVEDRKHR-SNVBAGLBSA-N -1 0 303.278 -0.675 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cn3ccccc3n2)CC1=O ZINC001598562272 1017306149 /nfs/dbraw/zinc/30/61/49/1017306149.db2.gz IWOMMVBZSLHSBF-JTQLQIEISA-N -1 0 302.290 -0.298 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccnn2C2CCC2)CC1=O ZINC001598562008 1017306494 /nfs/dbraw/zinc/30/64/94/1017306494.db2.gz GGYDTVZYCFFZDE-NSHDSACASA-N -1 0 306.322 -0.025 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)CN2CCc3ccccc32)CC1=O ZINC001598564591 1017307232 /nfs/dbraw/zinc/30/72/32/1017307232.db2.gz JEEQJXQPNZJKJF-ZDUSSCGKSA-N -1 0 317.345 -0.197 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(CCc2ccc(C(N)=O)cc2)CC1=O ZINC001598564841 1017307466 /nfs/dbraw/zinc/30/74/66/1017307466.db2.gz ZMJHXOHHZIBMOH-LBPRGKRZSA-N -1 0 305.334 -0.445 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1=O ZINC001598564909 1017307533 /nfs/dbraw/zinc/30/75/33/1017307533.db2.gz MCZKVIKPCJUOCU-TUAOUCFPSA-N -1 0 310.350 -0.197 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)Cc2csc3nccn23)CC1=O ZINC001598565248 1017307825 /nfs/dbraw/zinc/30/78/25/1017307825.db2.gz RIFXUMSFWUMRHL-VIFPVBQESA-N -1 0 322.346 -0.308 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1=O ZINC001598564908 1017308188 /nfs/dbraw/zinc/30/81/88/1017308188.db2.gz MCZKVIKPCJUOCU-QJPTWQEYSA-N -1 0 310.350 -0.197 20 0 DBADRM CN1CCC[C@@H]1c1cc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)n[nH]1 ZINC001598600038 1017329058 /nfs/dbraw/zinc/32/90/58/1017329058.db2.gz ZAJJNSWRVQIQJU-BXUZGUMPSA-N -1 0 308.338 -0.162 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CC1 ZINC001598603342 1017330410 /nfs/dbraw/zinc/33/04/10/1017330410.db2.gz GBJXWMJXRGSXDD-UHFFFAOYSA-N -1 0 323.353 -0.585 20 0 DBADRM CN1CCN(C(=O)CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC001598604524 1017331159 /nfs/dbraw/zinc/33/11/59/1017331159.db2.gz MOLRBBPSSGLJOJ-VXGBXAGGSA-N -1 0 311.382 -0.232 20 0 DBADRM CN1CCN(C(=O)CNC(=O)c2ccccc2C(=O)[O-])CC1 ZINC001598606951 1017336998 /nfs/dbraw/zinc/33/69/98/1017336998.db2.gz DUMSEERBWAISNZ-UHFFFAOYSA-N -1 0 305.334 -0.111 20 0 DBADRM CN1CCN(C(=O)CCN2CC(F)(F)C[C@H]2C(=O)[O-])CC1 ZINC001598606229 1017337560 /nfs/dbraw/zinc/33/75/60/1017337560.db2.gz UWAFCFHRGDAMKL-JTQLQIEISA-N -1 0 305.325 -0.055 20 0 DBADRM CN1CCN(CC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])CC1=O ZINC001598614771 1017341330 /nfs/dbraw/zinc/34/13/30/1017341330.db2.gz DAANURMILXMEHX-NEPJUHHUSA-N -1 0 311.382 -0.090 20 0 DBADRM CN1CCN(CC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1 ZINC001598613820 1017342638 /nfs/dbraw/zinc/34/26/38/1017342638.db2.gz DVHSIMMCMNTESF-UHFFFAOYSA-N -1 0 309.370 -0.111 20 0 DBADRM CN1CCN(C)CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001598614504 1017342944 /nfs/dbraw/zinc/34/29/44/1017342944.db2.gz OGEMBYODBKFYOS-UHFFFAOYSA-N -1 0 319.427 -0.497 20 0 DBADRM CN1CCN(CC(=O)N[C@H](CC(=O)[O-])c2ccncc2)CC1 ZINC001598616033 1017347877 /nfs/dbraw/zinc/34/78/77/1017347877.db2.gz MVAHTTSBGXTAQZ-CYBMUJFWSA-N -1 0 306.366 -0.039 20 0 DBADRM CN1CCN(S(=O)(=O)NCC2(C(=O)[O-])CCCC2)CC1 ZINC001598621596 1017350798 /nfs/dbraw/zinc/35/07/98/1017350798.db2.gz SLERCKWRPAHJGW-UHFFFAOYSA-N -1 0 305.400 -0.287 20 0 DBADRM CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C[C@@H]1CO ZINC001598621798 1017350878 /nfs/dbraw/zinc/35/08/78/1017350878.db2.gz XSQLMFFXPPLTMK-LLVKDONJSA-N -1 0 314.363 -0.318 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001497369590 1017355076 /nfs/dbraw/zinc/35/50/76/1017355076.db2.gz FKKDINOATZNHOA-CBAPKCEASA-N -1 0 321.337 -0.340 20 0 DBADRM CN1CCO[C@@H](C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)C1=O ZINC001598625773 1017355544 /nfs/dbraw/zinc/35/55/44/1017355544.db2.gz OGLGFKCSUOGLBC-RYUDHWBXSA-N -1 0 324.308 -0.033 20 0 DBADRM Cn1c([C@H]2COCCN2C)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001598625716 1017356479 /nfs/dbraw/zinc/35/64/79/1017356479.db2.gz RCOIINYBLSVXGY-NOZJJQNGSA-N -1 0 313.333 -0.179 20 0 DBADRM CN1CCOC[C@@H]1CN1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001598623561 1017356572 /nfs/dbraw/zinc/35/65/72/1017356572.db2.gz JZDYYMNLXLGZDU-VWYCJHECSA-N -1 0 311.338 -0.556 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N[C@](C)(CCF)C(=O)[O-])C1 ZINC001598623596 1017356691 /nfs/dbraw/zinc/35/66/91/1017356691.db2.gz KUBUBAABHAPEBA-GXSJLCMTSA-N -1 0 312.363 -0.561 20 0 DBADRM CN1C[C@@H](n2nnnc2N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1=O ZINC001598628803 1017357727 /nfs/dbraw/zinc/35/77/27/1017357727.db2.gz YDMIEOQICZCWBV-BHDSKKPTSA-N -1 0 320.353 -0.233 20 0 DBADRM CN1CCn2nc(NC(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])cc2C1 ZINC001598628158 1017358464 /nfs/dbraw/zinc/35/84/64/1017358464.db2.gz LOZDAWRDWKVFAV-BXKDBHETSA-N -1 0 323.353 -0.060 20 0 DBADRM CNC(=O)C1(C(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])CC1 ZINC001598631708 1017359827 /nfs/dbraw/zinc/35/98/27/1017359827.db2.gz HNNBOCIZRQOVSR-LLVKDONJSA-N -1 0 305.334 -0.033 20 0 DBADRM CNC(=O)C1(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)CC1 ZINC001598631702 1017359871 /nfs/dbraw/zinc/35/98/71/1017359871.db2.gz HHUWXBLZZFAACV-UHFFFAOYSA-N -1 0 321.337 -0.959 20 0 DBADRM CNC(=O)C1(C(=O)NC[C@H](C)Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001598631730 1017361137 /nfs/dbraw/zinc/36/11/37/1017361137.db2.gz IGXDHXKGXJFIRJ-QMMMGPOBSA-N -1 0 321.337 -0.961 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001598633557 1017361238 /nfs/dbraw/zinc/36/12/38/1017361238.db2.gz PYFSXWIMXDUUPU-NXEZZACHSA-N -1 0 319.365 -0.076 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001598632721 1017361560 /nfs/dbraw/zinc/36/15/60/1017361560.db2.gz JCTCCGBOKLTOEU-VHSXEESVSA-N -1 0 307.354 -0.172 20 0 DBADRM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598634965 1017361659 /nfs/dbraw/zinc/36/16/59/1017361659.db2.gz AXBXYECVECQAGR-DTWKUNHWSA-N -1 0 304.368 -0.315 20 0 DBADRM CNC(=O)[C@H]1CN(Cn2nc(C(=O)[O-])c(Cl)c2C)CCO1 ZINC001598637583 1017363950 /nfs/dbraw/zinc/36/39/50/1017363950.db2.gz NNPLNPXMXXSXLM-MRVPVSSYSA-N -1 0 316.745 -0.053 20 0 DBADRM CNC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cn2C)C1 ZINC001598638815 1017364560 /nfs/dbraw/zinc/36/45/60/1017364560.db2.gz LVGQCJIVWQXOBC-MRVPVSSYSA-N -1 0 315.351 -0.520 20 0 DBADRM CNC(=O)CCCC(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001598640518 1017364589 /nfs/dbraw/zinc/36/45/89/1017364589.db2.gz IULNQEMCKFDSOO-UHFFFAOYSA-N -1 0 309.326 -0.959 20 0 DBADRM CNC(=O)C1CN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])C1 ZINC001598639528 1017364635 /nfs/dbraw/zinc/36/46/35/1017364635.db2.gz XNHCYTLAVIYCIZ-UHFFFAOYSA-N -1 0 311.319 -0.411 20 0 DBADRM CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C1 ZINC001598638940 1017364834 /nfs/dbraw/zinc/36/48/34/1017364834.db2.gz NWNRNUNRHAVEIU-UHFFFAOYSA-N -1 0 319.317 -0.164 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)NC/C=C(\C)C(=O)[O-])CC1 ZINC001598643011 1017366296 /nfs/dbraw/zinc/36/62/96/1017366296.db2.gz NHDDSAYWCFOJOC-XCVCLJGOSA-N -1 0 312.370 -0.473 20 0 DBADRM CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)N1 ZINC001598645092 1017366492 /nfs/dbraw/zinc/36/64/92/1017366492.db2.gz DGLYMXBCJRKEKL-VIFPVBQESA-N -1 0 321.289 -0.663 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1 ZINC001598642485 1017367069 /nfs/dbraw/zinc/36/70/69/1017367069.db2.gz KAXQYGBADNRAQB-HAQNSBGRSA-N -1 0 311.382 -0.232 20 0 DBADRM CNC(=O)CCCN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001598642026 1017367118 /nfs/dbraw/zinc/36/71/18/1017367118.db2.gz KGTYZDKTADMWQZ-UHFFFAOYSA-N -1 0 317.367 -0.130 20 0 DBADRM CNC(=O)CCCCC(=O)N[C@H](CCC(=O)[O-])C(=O)OC ZINC001598642226 1017367149 /nfs/dbraw/zinc/36/71/49/1017367149.db2.gz OSXJWKAYQMVVDS-SECBINFHSA-N -1 0 302.327 -0.185 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001598645424 1017367520 /nfs/dbraw/zinc/36/75/20/1017367520.db2.gz WYTVZZJYLJPDIC-UHFFFAOYSA-N -1 0 309.278 -0.806 20 0 DBADRM CNC(=O)Cc1noc(CN2CC(F)(F)C[C@@H]2C(=O)[O-])n1 ZINC001598648897 1017368375 /nfs/dbraw/zinc/36/83/75/1017368375.db2.gz XMDWUBPLDICRBU-ZCFIWIBFSA-N -1 0 304.253 -0.348 20 0 DBADRM CNC(=O)NCC(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC001598650422 1017368445 /nfs/dbraw/zinc/36/84/45/1017368445.db2.gz AXJCEVQXLBWBDM-SNVBAGLBSA-N -1 0 309.322 -0.319 20 0 DBADRM CNC(=O)Cn1nc(N[C@@H]2CCN(CCC(=O)[O-])C2=O)cc1C ZINC001598651201 1017368934 /nfs/dbraw/zinc/36/89/34/1017368934.db2.gz NPSFLYAUVDJJSI-SNVBAGLBSA-N -1 0 323.353 -0.575 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001598652161 1017369025 /nfs/dbraw/zinc/36/90/25/1017369025.db2.gz CDSDWNLWBNXEDK-VIFPVBQESA-N -1 0 310.310 -0.517 20 0 DBADRM CNC(=O)NCCC(=O)NCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001598651983 1017369591 /nfs/dbraw/zinc/36/95/91/1017369591.db2.gz BLRGQZYKVQPWGS-UHFFFAOYSA-N -1 0 324.341 -0.954 20 0 DBADRM CNC(=O)NC(=O)CN1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001598652971 1017371581 /nfs/dbraw/zinc/37/15/81/1017371581.db2.gz ZRHPPUZRYRIKKX-UHFFFAOYSA-N -1 0 310.314 -0.931 20 0 DBADRM CNC(=O)NCC(=O)NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001598653193 1017372506 /nfs/dbraw/zinc/37/25/06/1017372506.db2.gz ZUVRCRCMLHAOHE-UHFFFAOYSA-N -1 0 305.294 -0.194 20 0 DBADRM CNC(=O)c1ccc(=O)n(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC001598656495 1017373682 /nfs/dbraw/zinc/37/36/82/1017373682.db2.gz ATBJYDCUMGAZLV-NSHDSACASA-N -1 0 323.349 -0.177 20 0 DBADRM CNC(=O)[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)C(C)C ZINC001598655938 1017373829 /nfs/dbraw/zinc/37/38/29/1017373829.db2.gz NRDLHCKZIGKRST-JTQLQIEISA-N -1 0 324.337 -0.451 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cn1 ZINC001598656384 1017374339 /nfs/dbraw/zinc/37/43/39/1017374339.db2.gz BJXVJXVESVWQDZ-QWRGUYRKSA-N -1 0 307.306 -0.509 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)CCSCC(=O)[O-])C1 ZINC001598670140 1017380413 /nfs/dbraw/zinc/38/04/13/1017380413.db2.gz WUOMFAWCOUJYPQ-MRVPVSSYSA-N -1 0 310.397 -0.656 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001598661378 1017374467 /nfs/dbraw/zinc/37/44/67/1017374467.db2.gz FCUBHBBJISNKJG-JTQLQIEISA-N -1 0 300.250 -0.805 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC001598659825 1017375823 /nfs/dbraw/zinc/37/58/23/1017375823.db2.gz XTLOMYFZNVCCFB-VIFPVBQESA-N -1 0 307.306 -0.243 20 0 DBADRM CNC(=O)c1ccc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)cn1 ZINC001598656573 1017375930 /nfs/dbraw/zinc/37/59/30/1017375930.db2.gz LFCRQMVOIXMJJL-CQSZACIVSA-N -1 0 307.306 -0.338 20 0 DBADRM CNC(=O)c1ccc(CS(=O)(=O)N[C@@H](CF)C(=O)[O-])cc1 ZINC001598657937 1017376018 /nfs/dbraw/zinc/37/60/18/1017376018.db2.gz MWRJIXHGZDYNFC-JTQLQIEISA-N -1 0 318.326 -0.112 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001598670588 1017379982 /nfs/dbraw/zinc/37/99/82/1017379982.db2.gz FUWUUTOEXWMXLZ-MRVPVSSYSA-N -1 0 307.353 -0.956 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001598669829 1017379920 /nfs/dbraw/zinc/37/99/20/1017379920.db2.gz SGKFHTQCLLFTMG-SECBINFHSA-N -1 0 313.335 -0.457 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001598670156 1017380014 /nfs/dbraw/zinc/38/00/14/1017380014.db2.gz XRTIPZFQYDZZKO-OPRDCNLKSA-N -1 0 319.383 -0.427 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001598670553 1017380203 /nfs/dbraw/zinc/38/02/03/1017380203.db2.gz FGOWIBWMIMRNAX-UHFFFAOYSA-N -1 0 305.287 -0.484 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(c2ccc(C(=O)[O-])c(OC)n2)C1 ZINC001598669870 1017380450 /nfs/dbraw/zinc/38/04/50/1017380450.db2.gz TVGVHSMXZAIYIR-QMMMGPOBSA-N -1 0 315.351 -0.084 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1c1ncc(C(=O)[O-])cn1 ZINC001598670452 1017381057 /nfs/dbraw/zinc/38/10/57/1017381057.db2.gz FFNIMEVDHDYQPF-SECBINFHSA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC001598672358 1017381909 /nfs/dbraw/zinc/38/19/09/1017381909.db2.gz ZSASUGYPSYNLDJ-BBBLOLIVSA-N -1 0 304.368 -0.363 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC001598671194 1017382039 /nfs/dbraw/zinc/38/20/39/1017382039.db2.gz NYLXOMWVLQYEHM-QMMMGPOBSA-N -1 0 307.353 -0.956 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001598672294 1017382344 /nfs/dbraw/zinc/38/23/44/1017382344.db2.gz XSSCAIMNNXZGHY-GARJFASQSA-N -1 0 318.395 -0.115 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N(C)[C@@H](C)C(=O)[O-])CC1 ZINC001598672103 1017382494 /nfs/dbraw/zinc/38/24/94/1017382494.db2.gz RPUDZJDTAFJNHB-QMMMGPOBSA-N -1 0 307.372 -0.906 20 0 DBADRM CNS(=O)(=O)CCNC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001598671207 1017382657 /nfs/dbraw/zinc/38/26/57/1017382657.db2.gz BQQFIJJPQDZJFT-UHFFFAOYSA-N -1 0 303.340 -0.391 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001598671046 1017382776 /nfs/dbraw/zinc/38/27/76/1017382776.db2.gz MOPBYHCNTICYKG-UHFFFAOYSA-N -1 0 305.287 -0.484 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001598670811 1017383103 /nfs/dbraw/zinc/38/31/03/1017383103.db2.gz JDSVKBSLFHDALW-VIFPVBQESA-N -1 0 305.356 -0.602 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001598672143 1017383114 /nfs/dbraw/zinc/38/31/14/1017383114.db2.gz NKQWSRVLZQJHNZ-VHSXEESVSA-N -1 0 319.383 -0.712 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)O[C@H](COC)C(=O)[O-])c1 ZINC001598676899 1017384669 /nfs/dbraw/zinc/38/46/69/1017384669.db2.gz FFWBHYFIDGOQAR-SSDOTTSWSA-N -1 0 323.348 -0.087 20 0 DBADRM CNS(=O)(=O)c1ccc(N2CC(O)(C(=O)[O-])C2)c(F)c1 ZINC001598675207 1017384745 /nfs/dbraw/zinc/38/47/45/1017384745.db2.gz KANLGXHZIZIFBL-UHFFFAOYSA-N -1 0 304.299 -0.631 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])cn1 ZINC001598673127 1017386145 /nfs/dbraw/zinc/38/61/45/1017386145.db2.gz RFDAIRCRVHPQHS-BDAKNGLRSA-N -1 0 313.335 -0.417 20 0 DBADRM CNc1nc(C)cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)n1 ZINC001598681793 1017386209 /nfs/dbraw/zinc/38/62/09/1017386209.db2.gz ROCLHAQDUMLCSF-DTWKUNHWSA-N -1 0 322.321 -0.227 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)C(=O)[O-])c(C)o1 ZINC001598673801 1017386272 /nfs/dbraw/zinc/38/62/72/1017386272.db2.gz BZQOHONTAWGWKQ-ZCFIWIBFSA-N -1 0 319.291 -0.305 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H](CCOC)C(=O)[O-])o1 ZINC001598674391 1017386659 /nfs/dbraw/zinc/38/66/59/1017386659.db2.gz GUVMGKLOGGRGLO-SSDOTTSWSA-N -1 0 320.323 -0.593 20 0 DBADRM COC(=O)/C(C)=C\CN1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001598687027 1017387484 /nfs/dbraw/zinc/38/74/84/1017387484.db2.gz DEMRIMCDRLJQIP-GLDPUFHNSA-N -1 0 312.366 -0.033 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001598687996 1017387582 /nfs/dbraw/zinc/38/75/82/1017387582.db2.gz LGRFQWMVYLSEQQ-KXUCPTDWSA-N -1 0 323.367 -0.263 20 0 DBADRM COC(=O)C(C)(C)NC(=O)/C=C(\C)C(=O)NC(C)(C)C(=O)[O-] ZINC001598685738 1017387726 /nfs/dbraw/zinc/38/77/26/1017387726.db2.gz HKYJLCNRJVNLCE-BQYQJAHWSA-N -1 0 314.338 -0.020 20 0 DBADRM COC(=O)[C@](C)(O)CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001598687142 1017388597 /nfs/dbraw/zinc/38/85/97/1017388597.db2.gz FGQNCGJBSFGYRY-IGJMFERPSA-N -1 0 303.311 -0.704 20 0 DBADRM COC(=O)[C@](C)(CO)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001598688112 1017388838 /nfs/dbraw/zinc/38/88/38/1017388838.db2.gz RBNMIHBGRNFPMD-AWEZNQCLSA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)/C(C)=C\CNC(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001598687511 1017388881 /nfs/dbraw/zinc/38/88/81/1017388881.db2.gz IGQWDSHLGGBTIA-VVOKDJNJSA-N -1 0 300.311 -0.009 20 0 DBADRM COC(=O)[C@H](C)CNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598687156 1017388891 /nfs/dbraw/zinc/38/88/91/1017388891.db2.gz CGRHEQRLFSCVIK-SSDOTTSWSA-N -1 0 302.308 -0.133 20 0 DBADRM COC(=O)C(C)(C)CCNS(=O)(=O)N(C)CCC(=O)[O-] ZINC001598684922 1017388919 /nfs/dbraw/zinc/38/89/19/1017388919.db2.gz ULMJOZVFDYDMOD-UHFFFAOYSA-N -1 0 310.372 -0.183 20 0 DBADRM CNc1nnc(CC(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)s1 ZINC001598682437 1017388961 /nfs/dbraw/zinc/38/89/61/1017388961.db2.gz JVNQEUREFGCFEI-YUMQZZPRSA-N -1 0 314.367 -0.024 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cnc(C)s1 ZINC001598694006 1017390348 /nfs/dbraw/zinc/39/03/48/1017390348.db2.gz HVBOFOQBCRROHE-LURJTMIESA-N -1 0 308.337 -0.254 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cn(C(C)C)cn1 ZINC001598693735 1017390832 /nfs/dbraw/zinc/39/08/32/1017390832.db2.gz GNCZOVMXKSAVAG-QMMMGPOBSA-N -1 0 319.339 -0.241 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001598694743 1017391051 /nfs/dbraw/zinc/39/10/51/1017391051.db2.gz ODMFQZGHFSBSBU-LDYMZIIASA-N -1 0 309.322 -0.028 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)Cc1[nH]nc2c1CCCC2 ZINC001598692595 1017391250 /nfs/dbraw/zinc/39/12/50/1017391250.db2.gz GXSVCKKPWMKESI-NSHDSACASA-N -1 0 309.322 -0.037 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CNc1ccccc1C(N)=O ZINC001598694221 1017391454 /nfs/dbraw/zinc/39/14/54/1017391454.db2.gz SOLWUGNUOZCKJR-JTQLQIEISA-N -1 0 323.305 -0.670 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc2c(cc1O)OCO2 ZINC001598694117 1017391584 /nfs/dbraw/zinc/39/15/84/1017391584.db2.gz WNEFBBQCDYKKHV-SSDOTTSWSA-N -1 0 311.246 -0.133 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC001598694393 1017391629 /nfs/dbraw/zinc/39/16/29/1017391629.db2.gz MQPFFKIVBJWEKB-MNOVXSKESA-N -1 0 321.285 -0.099 20 0 DBADRM COC(=O)[C@@H](CC(F)F)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001598696372 1017392830 /nfs/dbraw/zinc/39/28/30/1017392830.db2.gz BUZOKDDGAAMZGX-SSDOTTSWSA-N -1 0 305.237 -0.106 20 0 DBADRM COC(=O)[C@@H](CCC1OCCO1)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001598697763 1017392862 /nfs/dbraw/zinc/39/28/62/1017392862.db2.gz HOQJHNQTHNXXHK-IVZWLZJFSA-N -1 0 315.322 -0.092 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)C[C@H](C)CC(=O)[O-] ZINC001598698006 1017394384 /nfs/dbraw/zinc/39/43/84/1017394384.db2.gz QPRFGEVCLBRJRM-IUCAKERBSA-N -1 0 303.311 -0.092 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])c1ccnn1C ZINC001598709843 1017395276 /nfs/dbraw/zinc/39/52/76/1017395276.db2.gz QIVURANZCDTUMX-VXNVDRBHSA-N -1 0 319.339 -0.726 20 0 DBADRM COC(=O)[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001598703449 1017396056 /nfs/dbraw/zinc/39/60/56/1017396056.db2.gz VMGBSPYNVDVBAM-KXUCPTDWSA-N -1 0 311.294 -0.827 20 0 DBADRM COC(=O)[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)c1ccnn1C ZINC001598703057 1017396465 /nfs/dbraw/zinc/39/64/65/1017396465.db2.gz SHHRYKHDPIQXTH-UTLUCORTSA-N -1 0 311.294 -0.617 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CCN(C(C)(C)C(N)=O)CC1 ZINC001598700648 1017396669 /nfs/dbraw/zinc/39/66/69/1017396669.db2.gz ZLXPCLSQRULQRI-JTQLQIEISA-N -1 0 315.370 -0.726 20 0 DBADRM COC(=O)[C@H](OC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C1CC1 ZINC001598711503 1017396846 /nfs/dbraw/zinc/39/68/46/1017396846.db2.gz HXTUMVYPPRJIGN-GXSJLCMTSA-N -1 0 313.306 -0.196 20 0 DBADRM COC(=O)C1(C(=O)NCCCNC(=O)C2(C(=O)[O-])CC2)CC1 ZINC001598715871 1017397070 /nfs/dbraw/zinc/39/70/70/1017397070.db2.gz AGVGKCPOHHCUOD-UHFFFAOYSA-N -1 0 312.322 -0.573 20 0 DBADRM COC(=O)[C@@]1(C)C[C@@H](OC)CN1CCC(=O)NCC(=O)[O-] ZINC001598717129 1017397143 /nfs/dbraw/zinc/39/71/43/1017397143.db2.gz CSDDSQFICVUQCM-NOZJJQNGSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001598701334 1017397194 /nfs/dbraw/zinc/39/71/94/1017397194.db2.gz FMKPYKVFDQIWKV-MXWKQRLJSA-N -1 0 324.337 -0.173 20 0 DBADRM COC(=O)[C@]1(NC(=O)Cn2cc(C(=O)[O-])nn2)CCSC1 ZINC001598724947 1017398302 /nfs/dbraw/zinc/39/83/02/1017398302.db2.gz WWIZUATUIKRBSJ-NSHDSACASA-N -1 0 314.323 -0.859 20 0 DBADRM COC(=O)C1(NC(=O)c2ccoc2CC(=O)[O-])CC(CO)C1 ZINC001598724244 1017398582 /nfs/dbraw/zinc/39/85/82/1017398582.db2.gz AAVJMUKBCFSYMM-UHFFFAOYSA-N -1 0 311.290 -0.049 20 0 DBADRM COC(=O)[C@@]1(CNC(=O)Nc2ccc(C(=O)[O-])nn2)CCOC1 ZINC001598720515 1017399308 /nfs/dbraw/zinc/39/93/08/1017399308.db2.gz PKEUWTIYXWAMRA-CYBMUJFWSA-N -1 0 324.293 -0.124 20 0 DBADRM COC(=O)[C@@]1(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCSC1 ZINC001598724958 1017399362 /nfs/dbraw/zinc/39/93/62/1017399362.db2.gz XNNVTQRCDVFNKX-RGNHYFCHSA-N -1 0 303.336 -0.217 20 0 DBADRM COC(=O)[C@@]1(CNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CCOC1 ZINC001598720543 1017399452 /nfs/dbraw/zinc/39/94/52/1017399452.db2.gz RBOUFXGDZKAIFK-NZHONMPCSA-N -1 0 315.322 -0.440 20 0 DBADRM COC(=O)[C@]1(N2CCN(C/C=C(\C)C(=O)[O-])CC2)CCOC1 ZINC001598721989 1017399829 /nfs/dbraw/zinc/39/98/29/1017399829.db2.gz NRMWHXZAMUFDCP-COHQTCMYSA-N -1 0 312.366 -0.033 20 0 DBADRM COC(=O)[C@@]1(NC(=O)c2cnc(C(=O)[O-])cn2)CCSC1 ZINC001598724518 1017400033 /nfs/dbraw/zinc/40/00/33/1017400033.db2.gz CPPCWLVESMMDOG-GFCCVEGCSA-N -1 0 311.319 -0.047 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])CCC1 ZINC001598726443 1017401962 /nfs/dbraw/zinc/40/19/62/1017401962.db2.gz UJROXOPMUIVWGJ-DTWKUNHWSA-N -1 0 321.351 -0.678 20 0 DBADRM COC(=O)[C@]1(OC)CCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001598726173 1017402321 /nfs/dbraw/zinc/40/23/21/1017402321.db2.gz QKPGQWXQCDICOF-ZDUSSCGKSA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)[C@@]1(OC)CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC001598726399 1017402338 /nfs/dbraw/zinc/40/23/38/1017402338.db2.gz SHKXNDQIGSEFKY-LDYMZIIASA-N -1 0 309.340 -0.699 20 0 DBADRM COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1cccc(C(=O)[O-])n1 ZINC001598741898 1017403502 /nfs/dbraw/zinc/40/35/02/1017403502.db2.gz JNKQWOGBUWRZTI-WDEREUQCSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H]1CCCC(=O)N1 ZINC001598743752 1017403711 /nfs/dbraw/zinc/40/37/11/1017403711.db2.gz DYXCOYLUGNWJAN-OPRDCNLKSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CO[C@@H]1CCOC1 ZINC001598742277 1017403951 /nfs/dbraw/zinc/40/39/51/1017403951.db2.gz ACZHOIIMKPSQQR-MXWKQRLJSA-N -1 0 315.322 -0.343 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H]1CCC(=O)N1C ZINC001598743737 1017403965 /nfs/dbraw/zinc/40/39/65/1017403965.db2.gz DWYSLAUTZQBCRI-OPRDCNLKSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001598749271 1017404722 /nfs/dbraw/zinc/40/47/22/1017404722.db2.gz KXSROMPDHASCTB-DCAQKATOSA-N -1 0 314.338 -0.818 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1CCCS(C)(=O)=O ZINC001598749244 1017405113 /nfs/dbraw/zinc/40/51/13/1017405113.db2.gz FZCBVIATEIWJTJ-NXEZZACHSA-N -1 0 307.368 -0.241 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCc1cnn(C)n1 ZINC001598747858 1017405286 /nfs/dbraw/zinc/40/52/86/1017405286.db2.gz CCWLZPAAPNLMJN-GXSJLCMTSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)C1CN(C(C)=O)C1 ZINC001598749829 1017405390 /nfs/dbraw/zinc/40/53/90/1017405390.db2.gz NAEJLWYVFZCMQE-GXSJLCMTSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cnn(C)c1N ZINC001598750039 1017405885 /nfs/dbraw/zinc/40/58/85/1017405885.db2.gz HWJYJDIFRCZUBK-IONNQARKSA-N -1 0 310.310 -0.519 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cncc(OC)n1 ZINC001598748423 1017405971 /nfs/dbraw/zinc/40/59/71/1017405971.db2.gz AQJKCTOMBVQHRR-SCZZXKLOSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CC(=O)Nc1ccncc1 ZINC001598753546 1017407266 /nfs/dbraw/zinc/40/72/66/1017407266.db2.gz VOTRMENJZZCLFX-JQWIXIFHSA-N -1 0 321.333 -0.220 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2ccc(C(=O)[O-])n2C)C1 ZINC001598756541 1017407557 /nfs/dbraw/zinc/40/75/57/1017407557.db2.gz MIIQDQPVFBFZIV-IUCAKERBSA-N -1 0 310.306 -0.281 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)Nc2ccc(C(=O)[O-])nn2)C1 ZINC001598759513 1017407972 /nfs/dbraw/zinc/40/79/72/1017407972.db2.gz XRGBARBELPRQBI-JGVFFNPUSA-N -1 0 324.293 -0.438 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCc1cn(C)nn1 ZINC001598752946 1017408001 /nfs/dbraw/zinc/40/80/01/1017408001.db2.gz ZFBBOXIPWNOBRF-ONGXEEELSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001598754093 1017408178 /nfs/dbraw/zinc/40/81/78/1017408178.db2.gz CZDFAXKRSWPAMP-NXEZZACHSA-N -1 0 308.290 -0.224 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCc1cn(C)nn1 ZINC001598765852 1017409504 /nfs/dbraw/zinc/40/95/04/1017409504.db2.gz JQQSGSGCMCKJSN-KOLCDFICSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCn1cncn1 ZINC001598764459 1017409755 /nfs/dbraw/zinc/40/97/55/1017409755.db2.gz AGMYXIRPEGGWKS-MNOVXSKESA-N -1 0 324.337 -0.077 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1cn(C)nn1 ZINC001598765855 1017409771 /nfs/dbraw/zinc/40/97/71/1017409771.db2.gz JQQSGSGCMCKJSN-ONGXEEELSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1cnnn1C ZINC001598764710 1017410095 /nfs/dbraw/zinc/41/00/95/1017410095.db2.gz DKIBDMWPBFZHMB-PSASIEDQSA-N -1 0 310.310 -0.778 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC)CCN1CC(=O)NCCC(=O)[O-] ZINC001598764551 1017410128 /nfs/dbraw/zinc/41/01/28/1017410128.db2.gz HVOFKPKDRAELBO-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(C=O)n(C)n2)C1 ZINC001598772217 1017411443 /nfs/dbraw/zinc/41/14/43/1017411443.db2.gz KXLVUWCOAPHJCK-KWQFWETISA-N -1 0 323.305 -0.289 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001598772303 1017411610 /nfs/dbraw/zinc/41/16/10/1017411610.db2.gz GBKHZIFBORNVBJ-BBBLOLIVSA-N -1 0 313.306 -0.196 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001598770321 1017411896 /nfs/dbraw/zinc/41/18/96/1017411896.db2.gz GHIUMBJFDPVMSW-PSASIEDQSA-N -1 0 323.305 -0.741 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)Nc1ccncc1 ZINC001598771427 1017412185 /nfs/dbraw/zinc/41/21/85/1017412185.db2.gz RYCYIKZTNZPCBG-JQWIXIFHSA-N -1 0 321.333 -0.220 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(OC)nn2)C1 ZINC001598772626 1017412412 /nfs/dbraw/zinc/41/24/12/1017412412.db2.gz MEUPYPSJAZTRPJ-PSASIEDQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001598770323 1017412501 /nfs/dbraw/zinc/41/25/01/1017412501.db2.gz GHIUMBJFDPVMSW-WCBMZHEXSA-N -1 0 323.305 -0.741 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C[C@H](O)C1(O)CCCC1 ZINC001598772940 1017412513 /nfs/dbraw/zinc/41/25/13/1017412513.db2.gz WIRCCILSAJYGJU-WOPDTQHZSA-N -1 0 315.366 -0.009 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(C=O)n(C)n2)C1 ZINC001598772215 1017412753 /nfs/dbraw/zinc/41/27/53/1017412753.db2.gz KXLVUWCOAPHJCK-KCJUWKMLSA-N -1 0 323.305 -0.289 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(C=O)n(C)n2)C1 ZINC001598772220 1017412791 /nfs/dbraw/zinc/41/27/91/1017412791.db2.gz KXLVUWCOAPHJCK-LDYMZIIASA-N -1 0 323.305 -0.289 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2cncn2C)C1 ZINC001598772111 1017412851 /nfs/dbraw/zinc/41/28/51/1017412851.db2.gz FGABGMNNVUMTAN-GXSJLCMTSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(=O)cc[nH]2)C1 ZINC001598775194 1017413849 /nfs/dbraw/zinc/41/38/49/1017413849.db2.gz SJQYOCICWZPJGJ-LDYMZIIASA-N -1 0 308.290 -0.147 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccn(C)c(=O)c2)C1 ZINC001598776661 1017414522 /nfs/dbraw/zinc/41/45/22/1017414522.db2.gz IZGXOSZQPGIZCT-MNOVXSKESA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccn(C)c(=O)c2)C1 ZINC001598776659 1017414548 /nfs/dbraw/zinc/41/45/48/1017414548.db2.gz IZGXOSZQPGIZCT-GHMZBOCLSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)C1COC1 ZINC001598776332 1017414645 /nfs/dbraw/zinc/41/46/45/1017414645.db2.gz KBUNYZYUWLGNEJ-CBAPKCEASA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2cnnn2C)C1 ZINC001598776489 1017414797 /nfs/dbraw/zinc/41/47/97/1017414797.db2.gz ORTTVEZVHBPEEF-SCZZXKLOSA-N -1 0 310.310 -0.778 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1nnn(C)c1C ZINC001598774583 1017414808 /nfs/dbraw/zinc/41/48/08/1017414808.db2.gz ZFVFKENHFNAVTG-BDAKNGLRSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cccc[n+]2[O-])C1 ZINC001598778416 1017416188 /nfs/dbraw/zinc/41/61/88/1017416188.db2.gz NGBWXKGGDIVNJD-MWLCHTKSSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cccc[n+]2[O-])C1 ZINC001598778411 1017416291 /nfs/dbraw/zinc/41/62/91/1017416291.db2.gz NGBWXKGGDIVNJD-GXSJLCMTSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(CC(=O)N2CCOCC2)C1 ZINC001598782645 1017416419 /nfs/dbraw/zinc/41/64/19/1017416419.db2.gz ZPJDNDQCKWXLSI-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@H](O)CC(=O)[O-] ZINC001598787456 1017416473 /nfs/dbraw/zinc/41/64/73/1017416473.db2.gz JVTBWSXAMIIBEH-OPRDCNLKSA-N -1 0 323.367 -0.527 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)OC)CN1C(=O)COCC(=O)[O-] ZINC001598785651 1017416873 /nfs/dbraw/zinc/41/68/73/1017416873.db2.gz QTGIDBSRZGKEHC-DTWKUNHWSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001598783454 1017417481 /nfs/dbraw/zinc/41/74/81/1017417481.db2.gz YOAYQNWYXPMBTP-BBBLOLIVSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc[n+]2[O-])C1 ZINC001598778413 1017417795 /nfs/dbraw/zinc/41/77/95/1017417795.db2.gz NGBWXKGGDIVNJD-KOLCDFICSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C2CN(C(C)=O)C2)C1 ZINC001598782682 1017417814 /nfs/dbraw/zinc/41/78/14/1017417814.db2.gz QVSDZJVMWOTRHR-MWLCHTKSSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)OCC2(C(=O)[O-])CC2)C1=O ZINC001598788379 1017418772 /nfs/dbraw/zinc/41/87/72/1017418772.db2.gz FBVRLSMWGJNPAF-VIFPVBQESA-N -1 0 313.306 -0.194 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[C@@H]1C ZINC001598788338 1017418908 /nfs/dbraw/zinc/41/89/08/1017418908.db2.gz DRJXPWDYJCNFLI-IMSYWVGJSA-N -1 0 312.322 -0.624 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N(C)[C@@H](C)C(=O)[O-])C1=O ZINC001598788476 1017418944 /nfs/dbraw/zinc/41/89/44/1017418944.db2.gz PQNYVZJBOABGHQ-DTWKUNHWSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCc2cnn(C)n2)[C@H](C(=O)[O-])C1 ZINC001598791175 1017419140 /nfs/dbraw/zinc/41/91/40/1017419140.db2.gz HTUOQKQWXZWTTK-KOLCDFICSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])C1 ZINC001598788097 1017419263 /nfs/dbraw/zinc/41/92/63/1017419263.db2.gz CSGUQMVWQLOHMI-QMMMGPOBSA-N -1 0 323.305 -0.019 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@]2(F)CCOC2)[C@@H](C(=O)[O-])C1 ZINC001598789311 1017419750 /nfs/dbraw/zinc/41/97/50/1017419750.db2.gz LMUBYRDPGUHURM-KKFJDGPESA-N -1 0 303.286 -0.020 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)O[C@H](C)CC(=O)[O-])C1=O ZINC001598790097 1017419858 /nfs/dbraw/zinc/41/98/58/1017419858.db2.gz NVAGAZLWSUZIRC-BDAKNGLRSA-N -1 0 301.295 -0.196 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCc2nnc[nH]2)[C@H](C(=O)[O-])C1 ZINC001598790682 1017419915 /nfs/dbraw/zinc/41/99/15/1017419915.db2.gz FUNGXMOWDRWOOC-IUCAKERBSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N[C@H](CCF)C(=O)[O-])C1=O ZINC001598790711 1017420007 /nfs/dbraw/zinc/42/00/07/1017420007.db2.gz RJIPDQLAZPLVKD-DTWKUNHWSA-N -1 0 318.301 -0.673 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)[C@H](C(=O)[O-])C1 ZINC001598798917 1017421023 /nfs/dbraw/zinc/42/10/23/1017421023.db2.gz RTTIJCXRDCFAOF-AEJSXWLSSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](C)/C=C\C(=O)[O-])CC1 ZINC001598801040 1017421944 /nfs/dbraw/zinc/42/19/44/1017421944.db2.gz XATUWRLRIWRJSR-ZBJFTSOASA-N -1 0 320.367 -0.265 20 0 DBADRM C[C@H](C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001497563730 1017421963 /nfs/dbraw/zinc/42/19/63/1017421963.db2.gz TWMXLHHISMXYIX-GKQMSVHHSA-N -1 0 306.330 -0.875 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCCCC(N)=O)[C@@H](C(=O)[O-])C1 ZINC001598793457 1017422093 /nfs/dbraw/zinc/42/20/93/1017422093.db2.gz QDZVUZIAGJHILR-VHSXEESVSA-N -1 0 314.338 -0.103 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCCCC(N)=O)[C@H](C(=O)[O-])C1 ZINC001598793459 1017422326 /nfs/dbraw/zinc/42/23/26/1017422326.db2.gz QDZVUZIAGJHILR-ZJUUUORDSA-N -1 0 314.338 -0.103 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)[C@H]1[C@H](C(=O)N2CC[C@@H]2C(=O)[O-])[C@@H]1C ZINC001598801968 1017423822 /nfs/dbraw/zinc/42/38/22/1017423822.db2.gz ASOGBAKMYSNXHV-OGBGREFGSA-N -1 0 324.333 -0.672 20 0 DBADRM COC(=O)[C@H]1CCN1C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]1C(=O)[O-] ZINC001598804726 1017424007 /nfs/dbraw/zinc/42/40/07/1017424007.db2.gz XOWNHFWSAPXQGP-SGIHWFKDSA-N -1 0 310.306 -0.918 20 0 DBADRM COC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001598802527 1017424603 /nfs/dbraw/zinc/42/46/03/1017424603.db2.gz DEPHLFGNVDZVFU-QMMMGPOBSA-N -1 0 300.292 -0.284 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCCC(=O)[O-])C[C@H]1C(=O)OC ZINC001598806214 1017424789 /nfs/dbraw/zinc/42/47/89/1017424789.db2.gz CBDDVXBOXHILBG-RKDXNWHRSA-N -1 0 316.310 -0.545 20 0 DBADRM COC(=O)[C@@H]1CCN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598803367 1017424864 /nfs/dbraw/zinc/42/48/64/1017424864.db2.gz KWFDFCGPOXSADF-VIFPVBQESA-N -1 0 300.292 -0.284 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCCNC(C)=O)C[C@@H]1C(=O)[O-] ZINC001598808040 1017426042 /nfs/dbraw/zinc/42/60/42/1017426042.db2.gz KMQBKICWXQZMHE-VHSXEESVSA-N -1 0 315.326 -0.972 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2NCCc3occc32)C[C@@H]1C(=O)[O-] ZINC001598807832 1017426056 /nfs/dbraw/zinc/42/60/56/1017426056.db2.gz NLHRJRDZGHMYLL-UMNHJUIQSA-N -1 0 322.317 -0.201 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCC2CSC2)C[C@H]1C(=O)[O-] ZINC001598810128 1017426169 /nfs/dbraw/zinc/42/61/69/1017426169.db2.gz RYAGURIAORYTHQ-RKDXNWHRSA-N -1 0 302.352 -0.135 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)C[C@@H]1C(=O)[O-] ZINC001598810287 1017426323 /nfs/dbraw/zinc/42/63/23/1017426323.db2.gz VYMRMYHTJKMARE-DVVUODLYSA-N -1 0 321.333 -0.153 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)C[C@H]1C(=O)[O-] ZINC001598807639 1017426491 /nfs/dbraw/zinc/42/64/91/1017426491.db2.gz MKVYRBGIYVVSJZ-VPJKUYQRSA-N -1 0 309.318 -0.066 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCCNC(C)=O)C[C@@H]1C(=O)[O-] ZINC001598808039 1017426612 /nfs/dbraw/zinc/42/66/12/1017426612.db2.gz KMQBKICWXQZMHE-UWVGGRQHSA-N -1 0 315.326 -0.972 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C2(C(=O)NC3CC3)CC2)C[C@H]1C(=O)[O-] ZINC001598809410 1017426654 /nfs/dbraw/zinc/42/66/54/1017426654.db2.gz SAGVGTWOGZPOIV-NXEZZACHSA-N -1 0 324.333 -0.623 20 0 DBADRM COC(=O)C1CN(C(=O)[C@@H]2CC[C@H]2C(=O)N2CC(C(=O)[O-])C2)C1 ZINC001598807862 1017426718 /nfs/dbraw/zinc/42/67/18/1017426718.db2.gz NRPWANUHTSXQGY-GHMZBOCLSA-N -1 0 324.333 -0.813 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H](C)c2cnccn2)C[C@@H]1C(=O)[O-] ZINC001598807350 1017426795 /nfs/dbraw/zinc/42/67/95/1017426795.db2.gz MCILLSANKJMTNM-KXUCPTDWSA-N -1 0 307.306 -0.088 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CN2CCSC2=O)C[C@H]1C(=O)[O-] ZINC001598807908 1017427061 /nfs/dbraw/zinc/42/70/61/1017427061.db2.gz CDKOJKQSXRYLNJ-HTQZYQBOSA-N -1 0 316.335 -0.513 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C2(C(=O)NC3CC3)CC2)C[C@@H]1C(=O)[O-] ZINC001598809416 1017427204 /nfs/dbraw/zinc/42/72/04/1017427204.db2.gz SAGVGTWOGZPOIV-VHSXEESVSA-N -1 0 324.333 -0.623 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCC2=CCCOC2)C[C@H]1C(=O)[O-] ZINC001598810959 1017428490 /nfs/dbraw/zinc/42/84/90/1017428490.db2.gz VKHZIRAXDQNHIO-MNOVXSKESA-N -1 0 312.322 -0.152 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCC(C)(C)OC)C[C@@H]1C(=O)[O-] ZINC001598812253 1017428610 /nfs/dbraw/zinc/42/86/10/1017428610.db2.gz ZQDSLTIPQLTIRQ-DTWKUNHWSA-N -1 0 302.327 -0.073 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2cncnc2OC)C[C@H]1C(=O)[O-] ZINC001598814767 1017428621 /nfs/dbraw/zinc/42/86/21/1017428621.db2.gz MVSLCLPPPYOFSL-HTQZYQBOSA-N -1 0 324.293 -0.177 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598813104 1017429503 /nfs/dbraw/zinc/42/95/03/1017429503.db2.gz SILIWLMHGOUISG-WDEREUQCSA-N -1 0 314.338 -0.959 20 0 DBADRM COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1cccc(C(=O)[O-])c1 ZINC001598816878 1017431069 /nfs/dbraw/zinc/43/10/69/1017431069.db2.gz DKUPPVSMTNKITD-LLVKDONJSA-N -1 0 320.301 -0.159 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2cnn(C)c2C)C[C@H]1C(=O)[O-] ZINC001598818330 1017431643 /nfs/dbraw/zinc/43/16/43/1017431643.db2.gz XTFWCSXIBUPYOA-GHMZBOCLSA-N -1 0 324.337 -0.256 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cncc(C=O)c2)C[C@H]1C(=O)[O-] ZINC001598822324 1017432944 /nfs/dbraw/zinc/43/29/44/1017432944.db2.gz PWEPNJHJGRMDPP-MNOVXSKESA-N -1 0 306.274 -0.160 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1C(=O)[O-] ZINC001598822891 1017433171 /nfs/dbraw/zinc/43/31/71/1017433171.db2.gz UFKIEGBAPIIOTE-NXEZZACHSA-N -1 0 313.285 -0.202 20 0 DBADRM COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1ccc(C(=O)[O-])o1 ZINC001598820436 1017433400 /nfs/dbraw/zinc/43/34/00/1017433400.db2.gz SOKQNBUXSNNLQF-SSDOTTSWSA-N -1 0 310.262 -0.566 20 0 DBADRM COC(=O)[C@H]1CN(C(=S)NC2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598819795 1017434380 /nfs/dbraw/zinc/43/43/80/1017434380.db2.gz PZVANFGEATXVDW-UWVGGRQHSA-N -1 0 316.379 -0.155 20 0 DBADRM COC(=O)[C@@H]1CN(C)CCN(C(=O)c2cncc(C(=O)[O-])c2)C1 ZINC001598820209 1017434421 /nfs/dbraw/zinc/43/44/21/1017434421.db2.gz SEMPNMQUAYDNQQ-GFCCVEGCSA-N -1 0 321.333 -0.043 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)NCc2ccco2)C[C@@H]1C(=O)[O-] ZINC001598822550 1017434818 /nfs/dbraw/zinc/43/48/18/1017434818.db2.gz QXEGSOSMHJLYCX-QWRGUYRKSA-N -1 0 310.306 -0.299 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)N2CCCC2)C[C@H]1C(=O)[O-] ZINC001598823425 1017436543 /nfs/dbraw/zinc/43/65/43/1017436543.db2.gz COHSQPMLNVAIPA-RKDXNWHRSA-N -1 0 306.340 -0.867 20 0 DBADRM COC(=O)[C@@H]1CSCCN1C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001598824717 1017436591 /nfs/dbraw/zinc/43/65/91/1017436591.db2.gz IOTNCWXNQLQITA-VIFPVBQESA-N -1 0 313.335 -0.302 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)N(C)C(C)C)C[C@H]1C(=O)[O-] ZINC001598824574 1017436915 /nfs/dbraw/zinc/43/69/15/1017436915.db2.gz HPKBGLJELCAFHO-BDAKNGLRSA-N -1 0 308.356 -0.623 20 0 DBADRM COC(=O)[C@H]1CSCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001598825133 1017437264 /nfs/dbraw/zinc/43/72/64/1017437264.db2.gz LZOHQRGSESDANM-HLTSFMKQSA-N -1 0 303.336 -0.264 20 0 DBADRM COC(=O)[C@H]1CSCCN1C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001598824716 1017437360 /nfs/dbraw/zinc/43/73/60/1017437360.db2.gz IOTNCWXNQLQITA-SECBINFHSA-N -1 0 313.335 -0.302 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C[C@@H]1C(=O)[O-] ZINC001598827117 1017437542 /nfs/dbraw/zinc/43/75/42/1017437542.db2.gz QERNPYZFNZAKKU-AXTSPUMRSA-N -1 0 321.351 -0.701 20 0 DBADRM COC(=O)[C@H]1CN(c2ccc3nnc(C)n3n2)C[C@@H]1C(=O)[O-] ZINC001598827706 1017438219 /nfs/dbraw/zinc/43/82/19/1017438219.db2.gz OGOGPNWLDXXGQZ-IUCAKERBSA-N -1 0 305.294 -0.257 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)[O-] ZINC001598836431 1017439805 /nfs/dbraw/zinc/43/98/05/1017439805.db2.gz CAHYTXMEFYSPTA-MNOVXSKESA-N -1 0 321.285 -0.099 20 0 DBADRM COC(=O)[C@H]1CN(Cc2nc(CO)cs2)C[C@@H]1C(=O)[O-] ZINC001598828948 1017440070 /nfs/dbraw/zinc/44/00/70/1017440070.db2.gz ZYNFGZZNZQXTIT-IUCAKERBSA-N -1 0 300.336 -0.059 20 0 DBADRM COC(=O)C[C@H](C)CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001598836270 1017440333 /nfs/dbraw/zinc/44/03/33/1017440333.db2.gz YWPGZPJFJQTSRD-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)C[C@H](O)CNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001598840291 1017441583 /nfs/dbraw/zinc/44/15/83/1017441583.db2.gz FRKQCCSHUJLFAH-QMMMGPOBSA-N -1 0 317.319 -0.413 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cc2n[nH]nc2cc1F)C(=O)[O-] ZINC001598838851 1017441709 /nfs/dbraw/zinc/44/17/09/1017441709.db2.gz QCVXGVQJCBZMBG-VIFPVBQESA-N -1 0 310.241 -0.157 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)CCC[C@H]1CCOC1)C(=O)[O-] ZINC001598841205 1017441727 /nfs/dbraw/zinc/44/17/27/1017441727.db2.gz QHCLMNDIHKEVKI-VHSXEESVSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)C(=O)[O-] ZINC001598839072 1017442722 /nfs/dbraw/zinc/44/27/22/1017442722.db2.gz VWMLMHMWCPBSPJ-VXNVDRBHSA-N -1 0 312.278 -0.470 20 0 DBADRM COC(=O)C[C@H](NC(=O)CNC(=O)c1ccccc1C)C(=O)[O-] ZINC001598836749 1017442968 /nfs/dbraw/zinc/44/29/68/1017442968.db2.gz FMOATZASSXBBJV-NSHDSACASA-N -1 0 322.317 -0.143 20 0 DBADRM COC(=O)C[C@H](NC(=O)Cn1ccc(C(F)F)n1)C(=O)[O-] ZINC001598841970 1017443010 /nfs/dbraw/zinc/44/30/10/1017443010.db2.gz SLPZSLHYARJGDN-ZETCQYMHSA-N -1 0 305.237 -0.047 20 0 DBADRM COC(=O)C[C@]1(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CCCOC1 ZINC001598843439 1017443996 /nfs/dbraw/zinc/44/39/96/1017443996.db2.gz YTMGKQCVZYWHGJ-IMSIIYSGSA-N -1 0 315.322 -0.153 20 0 DBADRM COC(=O)C[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CC2)CCO1 ZINC001598845138 1017444166 /nfs/dbraw/zinc/44/41/66/1017444166.db2.gz JRTTVDLUEUYPEO-SECBINFHSA-N -1 0 321.351 -0.555 20 0 DBADRM COC(=O)C[C@]1(NS(=O)(=O)C[C@H](C)C(=O)[O-])CCCOC1 ZINC001598843488 1017444423 /nfs/dbraw/zinc/44/44/23/1017444423.db2.gz AYVFVIYTTUQZFL-JOYOIKCWSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CC(C)(C)CC(=O)[O-] ZINC001598845616 1017444450 /nfs/dbraw/zinc/44/44/50/1017444450.db2.gz JBKROBQYCACBGB-SECBINFHSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)C[C@@H]1COCCN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001598843974 1017444474 /nfs/dbraw/zinc/44/44/74/1017444474.db2.gz ABIQUSPWQOCPHJ-SNVBAGLBSA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001598846623 1017444626 /nfs/dbraw/zinc/44/46/26/1017444626.db2.gz GFYUGYMDHIMFML-SECBINFHSA-N -1 0 312.326 -0.078 20 0 DBADRM COC(=O)CC1CC(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1 ZINC001598846696 1017444817 /nfs/dbraw/zinc/44/48/17/1017444817.db2.gz QJLBSGPPCSDDQY-VGRIYTJTSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)C[C@@H]1CSCCN1CN1C[C@@H](C(=O)[O-])OC1=O ZINC001598844479 1017444924 /nfs/dbraw/zinc/44/49/24/1017444924.db2.gz NFQIEBSAZCROGF-BDAKNGLRSA-N -1 0 318.351 -0.170 20 0 DBADRM COC(=O)C[C@H]1COCCN1C(=O)c1cc(C(=O)[O-])nn1C ZINC001598844278 1017445291 /nfs/dbraw/zinc/44/52/91/1017445291.db2.gz GNPOWDIDTMYHEN-QMMMGPOBSA-N -1 0 311.294 -0.478 20 0 DBADRM COC(=O)CCCCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001598851816 1017447173 /nfs/dbraw/zinc/44/71/73/1017447173.db2.gz XTOHPEVPACSOTC-JTQLQIEISA-N -1 0 314.338 -0.088 20 0 DBADRM COC(=O)CCCCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001598851358 1017448533 /nfs/dbraw/zinc/44/85/33/1017448533.db2.gz SFOWFIHZNZYULA-JTQLQIEISA-N -1 0 314.338 -0.088 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1nc(C)c(C)[nH]c1=O)C(=O)[O-] ZINC001598857469 1017449428 /nfs/dbraw/zinc/44/94/28/1017449428.db2.gz SXIMVPKNFVEGND-MRVPVSSYSA-N -1 0 311.294 -0.477 20 0 DBADRM COC(=O)CCN1CC[C@H](N2CC[C@@](F)(C(=O)[O-])C2)C1=O ZINC001598854257 1017449886 /nfs/dbraw/zinc/44/98/86/1017449886.db2.gz UYUCPZPEFPYMAH-ZANVPECISA-N -1 0 302.302 -0.351 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cc(C(=O)OC)no1)C(=O)[O-] ZINC001598857118 1017450348 /nfs/dbraw/zinc/45/03/48/1017450348.db2.gz RTSAHAGXNWXMKN-ZCFIWIBFSA-N -1 0 314.250 -0.403 20 0 DBADRM COC(=O)CCNC(=O)CN1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC001598854916 1017450619 /nfs/dbraw/zinc/45/06/19/1017450619.db2.gz PIGSLQQTEWNXBQ-NXEZZACHSA-N -1 0 302.327 -0.770 20 0 DBADRM Cc1nnccc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497627139 1017450421 /nfs/dbraw/zinc/45/04/21/1017450421.db2.gz PNUCPUASGIPWAD-IHWYPQMZSA-N -1 0 303.326 -0.315 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C(=O)OC ZINC001598856832 1017451335 /nfs/dbraw/zinc/45/13/35/1017451335.db2.gz HVFWGIUDGHOTBS-DJLDLDEBSA-N -1 0 301.295 -0.292 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CSCN1C(C)=O)C(=O)[O-] ZINC001598854817 1017451498 /nfs/dbraw/zinc/45/14/98/1017451498.db2.gz CODZZKJPKUMAQH-RKDXNWHRSA-N -1 0 318.351 -0.570 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CN1CCC(CO)CC1)C(=O)[O-] ZINC001598856336 1017451525 /nfs/dbraw/zinc/45/15/25/1017451525.db2.gz LXWWULQAEMXFJY-LLVKDONJSA-N -1 0 316.354 -0.787 20 0 DBADRM COC(=O)CCc1nc(CS(=O)(=O)C[C@@H](C)C(=O)[O-])no1 ZINC001598859280 1017452962 /nfs/dbraw/zinc/45/29/62/1017452962.db2.gz YOSGVHINDUYYBT-SSDOTTSWSA-N -1 0 320.323 -0.189 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001598860589 1017453169 /nfs/dbraw/zinc/45/31/69/1017453169.db2.gz NTOFOJFUHCQVHT-SECBINFHSA-N -1 0 321.351 -0.713 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cc1cn2c(n1)CCCC2 ZINC001598860281 1017453713 /nfs/dbraw/zinc/45/37/13/1017453713.db2.gz UCMWVCBRHYKHLB-UHFFFAOYSA-N -1 0 309.322 -0.152 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccc(-n2cncn2)n1 ZINC001598861820 1017453732 /nfs/dbraw/zinc/45/37/32/1017453732.db2.gz QSLLTCLHYGQDKW-UHFFFAOYSA-N -1 0 319.277 -0.638 20 0 DBADRM COC(=O)CC[C@@H]1CC[C@H](C(=O)NCCOCC(=O)[O-])O1 ZINC001598858709 1017453988 /nfs/dbraw/zinc/45/39/88/1017453988.db2.gz RCFWZGLBIXQVTJ-VHSXEESVSA-N -1 0 303.311 -0.295 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001598860827 1017454080 /nfs/dbraw/zinc/45/40/80/1017454080.db2.gz PVLHTKYJSXEGKX-MRVPVSSYSA-N -1 0 310.310 -0.994 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cn1ncc2sccc2c1=O ZINC001598862671 1017455830 /nfs/dbraw/zinc/45/58/30/1017455830.db2.gz MMBTXVCGEQYMQE-UHFFFAOYSA-N -1 0 311.319 -0.025 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)CC[C@H]1CCCCO1 ZINC001598862767 1017456029 /nfs/dbraw/zinc/45/60/29/1017456029.db2.gz OZYIQHQVCDNWCP-SNVBAGLBSA-N -1 0 323.367 -0.165 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc(C)nc1 ZINC001598862632 1017456492 /nfs/dbraw/zinc/45/64/92/1017456492.db2.gz LPBPIPZZSSTMRQ-UHFFFAOYSA-N -1 0 302.308 -0.362 20 0 DBADRM COC(=O)COc1cccc(C(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001598867299 1017457738 /nfs/dbraw/zinc/45/77/38/1017457738.db2.gz SUOXVEUDAYRNJJ-JTQLQIEISA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)COCCNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001598866126 1017458189 /nfs/dbraw/zinc/45/81/89/1017458189.db2.gz PQEHBJSPOCZQIG-BDAKNGLRSA-N -1 0 304.299 -0.941 20 0 DBADRM COC(=O)COCC(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001598866077 1017458524 /nfs/dbraw/zinc/45/85/24/1017458524.db2.gz OADPSHQKYHRBTD-UHFFFAOYSA-N -1 0 303.311 -0.436 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001598865053 1017458667 /nfs/dbraw/zinc/45/86/67/1017458667.db2.gz ONDGLWJYRKYMGM-HYXAFXHYSA-N -1 0 310.262 -0.604 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC001598865930 1017459209 /nfs/dbraw/zinc/45/92/09/1017459209.db2.gz XSLAFUCVCJBERV-UHFFFAOYSA-N -1 0 311.294 -0.651 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1c1ncc(C(=O)[O-])cn1 ZINC001598865663 1017459215 /nfs/dbraw/zinc/45/92/15/1017459215.db2.gz USQYCMLKEAPEDV-VIFPVBQESA-N -1 0 308.294 -0.567 20 0 DBADRM COC(=O)N(C)CCCC(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001598876410 1017460493 /nfs/dbraw/zinc/46/04/93/1017460493.db2.gz FTYHBOPVZUQHNF-SECBINFHSA-N -1 0 313.314 -0.674 20 0 DBADRM COC(=O)C[C@@H](OC(=O)c1cnc(C(=O)[O-])cn1)C(=O)OC ZINC001598872139 1017460879 /nfs/dbraw/zinc/46/08/79/1017460879.db2.gz UYIXZXNREGHWGB-MRVPVSSYSA-N -1 0 312.234 -0.564 20 0 DBADRM COC(=O)N(C)CCCC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001598877252 1017461247 /nfs/dbraw/zinc/46/12/47/1017461247.db2.gz YEIGYCPHQRSNJQ-ZJUUUORDSA-N -1 0 302.327 -0.241 20 0 DBADRM COC(=O)N(C)CCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001598877874 1017461433 /nfs/dbraw/zinc/46/14/33/1017461433.db2.gz YTFYUMNQPWDCLI-BDAKNGLRSA-N -1 0 303.315 -0.838 20 0 DBADRM COC(=O)N(C)CCN1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001598877335 1017461793 /nfs/dbraw/zinc/46/17/93/1017461793.db2.gz DGUYTIUWLSLREM-RKDXNWHRSA-N -1 0 313.310 -0.188 20 0 DBADRM COC(=O)Cc1ccnc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1 ZINC001598873858 1017461935 /nfs/dbraw/zinc/46/19/35/1017461935.db2.gz RTWUFCJJTHSHDH-LLVKDONJSA-N -1 0 321.333 -0.033 20 0 DBADRM COC(=O)NCC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001598883453 1017463273 /nfs/dbraw/zinc/46/32/73/1017463273.db2.gz QSSVXOJGJWTZKM-VIFPVBQESA-N -1 0 323.309 -0.774 20 0 DBADRM COC(=O)NC(C)(C)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001598882032 1017463393 /nfs/dbraw/zinc/46/33/93/1017463393.db2.gz MIENNYGDFZLURP-ZETCQYMHSA-N -1 0 304.299 -0.547 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)C1 ZINC001598878656 1017463482 /nfs/dbraw/zinc/46/34/82/1017463482.db2.gz GLTYICYTZQCFFH-UHFFFAOYSA-N -1 0 323.309 -0.333 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](OC)[C@@H]1CCOC1 ZINC001598891110 1017465049 /nfs/dbraw/zinc/46/50/49/1017465049.db2.gz DLOVGOOWYJBUSH-FXPVBKGRSA-N -1 0 303.311 -0.440 20 0 DBADRM COC(=O)NCCCC(=O)N[C@H](CCC(=O)[O-])C(=O)OC ZINC001598883826 1017465662 /nfs/dbraw/zinc/46/56/62/1017465662.db2.gz RNBKCZKMUFMAHI-MRVPVSSYSA-N -1 0 304.299 -0.355 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001598884239 1017466230 /nfs/dbraw/zinc/46/62/30/1017466230.db2.gz QXIDUYLOQPRJDL-XLPZGREQSA-N -1 0 302.283 -0.937 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001598884123 1017466378 /nfs/dbraw/zinc/46/63/78/1017466378.db2.gz KBVOVIRLNLLJGK-XHNCKOQMSA-N -1 0 316.310 -0.404 20 0 DBADRM COC(=O)NCCCC(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001598883872 1017466502 /nfs/dbraw/zinc/46/65/02/1017466502.db2.gz VJJVVOLHOWSKSJ-VHSXEESVSA-N -1 0 302.327 -0.024 20 0 DBADRM C[C@H](C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)[C@@H]1CCC(=O)N1 ZINC001497683720 1017467842 /nfs/dbraw/zinc/46/78/42/1017467842.db2.gz RZSVZKZDFXADBO-AQHVTNBVSA-N -1 0 322.369 -0.813 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001598893132 1017467963 /nfs/dbraw/zinc/46/79/63/1017467963.db2.gz BPBCJWRETMTZBC-QMMMGPOBSA-N -1 0 321.282 -0.664 20 0 DBADRM COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)c1cc(C(=O)[O-])nn1C ZINC001598894273 1017468601 /nfs/dbraw/zinc/46/86/01/1017468601.db2.gz HJXJFUUNZMOBTC-SECBINFHSA-N -1 0 321.293 -0.645 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cc(CN(C)C)on1 ZINC001598892777 1017468714 /nfs/dbraw/zinc/46/87/14/1017468714.db2.gz NIFKCEMPOKGNDQ-SECBINFHSA-N -1 0 313.310 -0.128 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001598891359 1017468816 /nfs/dbraw/zinc/46/88/16/1017468816.db2.gz ITKSVUCUAUMIPJ-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cscn1 ZINC001598892663 1017468858 /nfs/dbraw/zinc/46/88/58/1017468858.db2.gz DZOLVXYLNLSINA-ZCFIWIBFSA-N -1 0 308.337 -0.172 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001598894513 1017469013 /nfs/dbraw/zinc/46/90/13/1017469013.db2.gz XBZAMWJZXSPVAT-ZETCQYMHSA-N -1 0 321.282 -0.664 20 0 DBADRM COC(=O)[C@@H](NC(=O)CN1CCOC[C@H]1CC(=O)[O-])C(C)C ZINC001598893892 1017469609 /nfs/dbraw/zinc/46/96/09/1017469609.db2.gz BXIUEAWKNTYGAF-MFKMUULPSA-N -1 0 316.354 -0.524 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])O1 ZINC001598897035 1017470868 /nfs/dbraw/zinc/47/08/68/1017470868.db2.gz HXTKGZODIHVLCI-AEJSXWLSSA-N -1 0 311.294 -0.827 20 0 DBADRM COC(=O)[C@@H]1CN(CN2CCSC[C@H]2CC(=O)[O-])C(=O)O1 ZINC001598898927 1017471370 /nfs/dbraw/zinc/47/13/70/1017471370.db2.gz QGFFWUSLMTYCHT-BDAKNGLRSA-N -1 0 318.351 -0.170 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001598899917 1017471561 /nfs/dbraw/zinc/47/15/61/1017471561.db2.gz GBUROCQHXIMXMT-VXNVDRBHSA-N -1 0 317.323 -0.945 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001598899838 1017472285 /nfs/dbraw/zinc/47/22/85/1017472285.db2.gz FXDMOPLJXBZRNR-JLIMGVALSA-N -1 0 310.306 -0.077 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)C1 ZINC001598907684 1017473602 /nfs/dbraw/zinc/47/36/02/1017473602.db2.gz YOBAXFQUJKUGFU-AXTSPUMRSA-N -1 0 312.322 -0.624 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001598905249 1017473934 /nfs/dbraw/zinc/47/39/34/1017473934.db2.gz CKFYWHKOKWHHPI-KNVOCYPGSA-N -1 0 302.308 -0.057 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC001598906182 1017473948 /nfs/dbraw/zinc/47/39/48/1017473948.db2.gz LFTAKWZGPAFSFD-OCAPTIKFSA-N -1 0 317.323 -0.802 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001598905700 1017474452 /nfs/dbraw/zinc/47/44/52/1017474452.db2.gz GELMLPWZZIXUGJ-AXTSPUMRSA-N -1 0 321.351 -0.965 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1 ZINC001598905702 1017474630 /nfs/dbraw/zinc/47/46/30/1017474630.db2.gz GELMLPWZZIXUGJ-KYXWUPHJSA-N -1 0 321.351 -0.965 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)C1 ZINC001598907685 1017474845 /nfs/dbraw/zinc/47/48/45/1017474845.db2.gz YOBAXFQUJKUGFU-DOLQZWNJSA-N -1 0 312.322 -0.624 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1 ZINC001598907383 1017475215 /nfs/dbraw/zinc/47/52/15/1017475215.db2.gz ZGMOSBKMYSMLSL-OPRDCNLKSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001598907310 1017475229 /nfs/dbraw/zinc/47/52/29/1017475229.db2.gz KGHBYOSJCMOKQE-OCAPTIKFSA-N -1 0 312.278 -0.043 20 0 DBADRM COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(C(=O)[O-])n1C ZINC001598903264 1017475247 /nfs/dbraw/zinc/47/52/47/1017475247.db2.gz AVIWCVRYQJNTMB-VIFPVBQESA-N -1 0 320.305 -0.040 20 0 DBADRM COC(=O)c1[nH]c(C)c(C(=O)NCC(=O)NCC(=O)[O-])c1C ZINC001598909701 1017476661 /nfs/dbraw/zinc/47/66/61/1017476661.db2.gz QDCKSHSMYLUAHT-UHFFFAOYSA-N -1 0 311.294 -0.651 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN(C)CC(=O)N1CCCC1 ZINC001598924313 1017476944 /nfs/dbraw/zinc/47/69/44/1017476944.db2.gz BBVWWXSDCORCAA-UHFFFAOYSA-N -1 0 324.337 -0.120 20 0 DBADRM COC(=O)c1cc(C(=O)OCCc2cn(CC(=O)[O-])nn2)c[nH]1 ZINC001598926481 1017477430 /nfs/dbraw/zinc/47/74/30/1017477430.db2.gz LVSSTDYCWSRBTQ-UHFFFAOYSA-N -1 0 322.277 -0.123 20 0 DBADRM COC(=O)c1cc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c(C)o1 ZINC001598918725 1017477912 /nfs/dbraw/zinc/47/79/12/1017477912.db2.gz ZEEIJYIGJBSSLL-SECBINFHSA-N -1 0 324.289 -0.258 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)n[nH]1 ZINC001598955403 1017479491 /nfs/dbraw/zinc/47/94/91/1017479491.db2.gz BKADEKFAIHQZJN-IZLXSQMJSA-N -1 0 303.296 -0.662 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n1C ZINC001598957597 1017480345 /nfs/dbraw/zinc/48/03/45/1017480345.db2.gz IMIQURQUGBTFMX-JTQLQIEISA-N -1 0 323.305 -0.773 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])o1 ZINC001598957783 1017480870 /nfs/dbraw/zinc/48/08/70/1017480870.db2.gz MRCBQPQZIAWGLW-ZETCQYMHSA-N -1 0 310.262 -0.566 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CCOC[C@@H]2CC(=O)[O-])n1 ZINC001598956781 1017481038 /nfs/dbraw/zinc/48/10/38/1017481038.db2.gz WGEIOSGOQKTHDA-VIFPVBQESA-N -1 0 311.294 -0.837 20 0 DBADRM COC(=O)c1cc(NC(=O)NC[C@@H](O)CC(=O)[O-])n(C)n1 ZINC001598944672 1017481227 /nfs/dbraw/zinc/48/12/27/1017481227.db2.gz HAOOYYWEHMPSSZ-LURJTMIESA-N -1 0 300.271 -0.836 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])nc1 ZINC001598957616 1017481462 /nfs/dbraw/zinc/48/14/62/1017481462.db2.gz IURZRIKVEUUNOP-SNVBAGLBSA-N -1 0 321.289 -0.717 20 0 DBADRM COC(=O)c1cccc(NC(=O)Cn2cc(C(=O)[O-])nn2)c1N ZINC001598997274 1017482404 /nfs/dbraw/zinc/48/24/04/1017482404.db2.gz DKRDCBJKSSMSJA-UHFFFAOYSA-N -1 0 319.277 -0.016 20 0 DBADRM COC(=O)c1ccccc1CCC(=O)NCC(=O)NCC(=O)[O-] ZINC001599001781 1017482723 /nfs/dbraw/zinc/48/27/23/1017482723.db2.gz JSPKCORBTUIHHW-UHFFFAOYSA-N -1 0 322.317 -0.277 20 0 DBADRM COC(=O)c1cccc(C(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001598992077 1017483891 /nfs/dbraw/zinc/48/38/91/1017483891.db2.gz GOYOHUHDBNKMNK-UHFFFAOYSA-N -1 0 319.277 -0.412 20 0 DBADRM COC(=O)c1cccn(CC(=O)N[C@@H](C)/C=C/C(=O)[O-])c1=O ZINC001599002586 1017484151 /nfs/dbraw/zinc/48/41/51/1017484151.db2.gz RGVWWDVMWYFZHK-CYNONHLPSA-N -1 0 308.290 -0.220 20 0 DBADRM COC(=O)c1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)nc1 ZINC001598973298 1017484319 /nfs/dbraw/zinc/48/43/19/1017484319.db2.gz HKPJBUILJXZTPQ-UHFFFAOYSA-N -1 0 319.277 -0.526 20 0 DBADRM COC(=O)c1ccc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)nn1 ZINC001598981777 1017484338 /nfs/dbraw/zinc/48/43/38/1017484338.db2.gz VDZLUGXDQGFNGA-QMMMGPOBSA-N -1 0 324.293 -0.029 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[nH]1 ZINC001598960385 1017484368 /nfs/dbraw/zinc/48/43/68/1017484368.db2.gz WYQMNFQUTWSOMY-BQBZGAKWSA-N -1 0 311.294 -0.491 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cn1 ZINC001599007592 1017486484 /nfs/dbraw/zinc/48/64/84/1017486484.db2.gz MILMZHCAACRFBA-UWVGGRQHSA-N -1 0 309.278 -0.687 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001599008331 1017487072 /nfs/dbraw/zinc/48/70/72/1017487072.db2.gz XDOOJQSOXMELIK-QMMMGPOBSA-N -1 0 317.323 -0.272 20 0 DBADRM COC(=O)c1cn(CCNC(=O)c2cccc(C(=O)[O-])n2)nn1 ZINC001599008080 1017487104 /nfs/dbraw/zinc/48/71/04/1017487104.db2.gz DWPWLPMOPZZGDG-UHFFFAOYSA-N -1 0 319.277 -0.412 20 0 DBADRM COC(=O)c1ccccc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001599002947 1017487760 /nfs/dbraw/zinc/48/77/60/1017487760.db2.gz LZQVUURQGYMMOD-MRVPVSSYSA-N -1 0 324.289 -0.637 20 0 DBADRM CO[C@@H](C(=O)Nc1n[nH]c(CC(=O)[O-])n1)C(=O)OC(C)(C)C ZINC001599027648 1017488682 /nfs/dbraw/zinc/48/86/82/1017488682.db2.gz XLHHNKHKZUHAGL-QMMMGPOBSA-N -1 0 314.298 -0.273 20 0 DBADRM COC(=O)c1cnoc1CN1[C@H](C(=O)[O-])CCS1(=O)=O ZINC001599013601 1017488924 /nfs/dbraw/zinc/48/89/24/1017488924.db2.gz VFVITWJZHBACOF-ZETCQYMHSA-N -1 0 304.280 -0.550 20 0 DBADRM COC(=O)c1cnc(N2CC(n3cc(C(=O)[O-])nn3)C2)nc1 ZINC001599009944 1017489458 /nfs/dbraw/zinc/48/94/58/1017489458.db2.gz BGFDYEVBWUXQOF-UHFFFAOYSA-N -1 0 304.266 -0.386 20 0 DBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)NCC1(C(=O)[O-])CC1 ZINC001599010893 1017489705 /nfs/dbraw/zinc/48/97/05/1017489705.db2.gz CJJCKXQHHDHOIY-UHFFFAOYSA-N -1 0 324.293 -0.874 20 0 DBADRM COC(=O)c1sccc1NC(=O)CN[C@@](C)(CO)C(=O)[O-] ZINC001599024227 1017489932 /nfs/dbraw/zinc/48/99/32/1017489932.db2.gz XMXXQULUKRBJID-LBPRGKRZSA-N -1 0 316.335 -0.102 20 0 DBADRM COC(=O)c1cncc(CN2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1 ZINC001599011518 1017489947 /nfs/dbraw/zinc/48/99/47/1017489947.db2.gz YPDJWVDRZCFDRV-LLVKDONJSA-N -1 0 307.306 -0.405 20 0 DBADRM CO[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC001599027496 1017490068 /nfs/dbraw/zinc/49/00/68/1017490068.db2.gz BPEZHVZWXAMQJJ-AXTSPUMRSA-N -1 0 302.327 -0.868 20 0 DBADRM COC(=O)c1cnn(CC(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC001599010998 1017490905 /nfs/dbraw/zinc/49/09/05/1017490905.db2.gz FOAHSMOVJWLXBR-SNVBAGLBSA-N -1 0 311.294 -0.628 20 0 DBADRM CO[C@H](C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)c1cnn(C)c1 ZINC001599024326 1017490963 /nfs/dbraw/zinc/49/09/63/1017490963.db2.gz FOHHZQAVLVACHR-RYUDHWBXSA-N -1 0 311.338 -0.208 20 0 DBADRM COC(C)(C)[C@H](C)NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599031117 1017491902 /nfs/dbraw/zinc/49/19/02/1017491902.db2.gz IJVYMBMHLLGTEO-UWVGGRQHSA-N -1 0 316.354 -0.382 20 0 DBADRM COC(C)(C)CNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599032932 1017492140 /nfs/dbraw/zinc/49/21/40/1017492140.db2.gz LDHWWJRVLNFQHF-BDAKNGLRSA-N -1 0 302.327 -0.772 20 0 DBADRM CO[C@@](C)(C(=O)NC[C@@H](O)CC(=O)[O-])C(=O)OC(C)(C)C ZINC001599031739 1017492323 /nfs/dbraw/zinc/49/23/23/1017492323.db2.gz MCSDJAIARMKXBB-SDBXPKJASA-N -1 0 305.327 -0.315 20 0 DBADRM CO[C@H](C(=O)OCCc1cn(CC(=O)[O-])nn1)[C@H]1CCOC1 ZINC001599028460 1017492600 /nfs/dbraw/zinc/49/26/00/1017492600.db2.gz BQCUERKXZBFSOE-CABZTGNLSA-N -1 0 313.310 -0.500 20 0 DBADRM COC(C)(C)CCNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599032291 1017493367 /nfs/dbraw/zinc/49/33/67/1017493367.db2.gz GICDFXKVNKEOSZ-ZJUUUORDSA-N -1 0 316.354 -0.382 20 0 DBADRM CO[C@H](CCNC(=O)C(=O)NC[C@H](F)C(=O)[O-])C(F)(F)F ZINC001599044532 1017494943 /nfs/dbraw/zinc/49/49/43/1017494943.db2.gz VYXSUANMPANOOF-NTSWFWBYSA-N -1 0 318.223 -0.391 20 0 DBADRM CO[C@H](C)CS(=O)(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001599037613 1017494978 /nfs/dbraw/zinc/49/49/78/1017494978.db2.gz JQVAWOJAFPGISE-GHMZBOCLSA-N -1 0 308.400 -0.168 20 0 DBADRM CO[C@@H](C)CC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001599038684 1017495684 /nfs/dbraw/zinc/49/56/84/1017495684.db2.gz SFYKWJQNUMQESB-IVZWLZJFSA-N -1 0 324.337 -0.735 20 0 DBADRM CO[C@H](C)CCNC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001599039868 1017495696 /nfs/dbraw/zinc/49/56/96/1017495696.db2.gz WWSPJOQCXKBKIQ-MRVPVSSYSA-N -1 0 312.326 -0.244 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001599037615 1017496079 /nfs/dbraw/zinc/49/60/79/1017496079.db2.gz JQVAWOJAFPGISE-QWRGUYRKSA-N -1 0 308.400 -0.168 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)CN1CSCC1=O)OC ZINC001599046013 1017496217 /nfs/dbraw/zinc/49/62/17/1017496217.db2.gz ZETUFUJDMLPYMF-UHFFFAOYSA-N -1 0 320.367 -0.559 20 0 DBADRM CO[C@H](CNC(=O)N1CC[C@@](OC)(C(=O)[O-])C1)[C@H]1CCOC1 ZINC001599051339 1017496948 /nfs/dbraw/zinc/49/69/48/1017496948.db2.gz FXWQLKWXOFWRMT-WDMOLILDSA-N -1 0 316.354 -0.077 20 0 DBADRM CO[C@H](CNC(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001599053054 1017497330 /nfs/dbraw/zinc/49/73/30/1017497330.db2.gz WFMDRFSJIQILOQ-HBNTYKKESA-N -1 0 302.327 -0.467 20 0 DBADRM CO[C@H](CNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC001599050085 1017497455 /nfs/dbraw/zinc/49/74/55/1017497455.db2.gz RFZXTZSMZBIOTC-DDHJBXDOSA-N -1 0 316.354 -0.173 20 0 DBADRM CO[C@H](CN1C(=O)N[C@H](CCC(=O)[O-])C1=O)[C@@H]1CCOC1 ZINC001599048559 1017497597 /nfs/dbraw/zinc/49/75/97/1017497597.db2.gz UYFVGZDKSLGKJO-OPRDCNLKSA-N -1 0 300.311 -0.177 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1)C(C)C ZINC001599050205 1017497655 /nfs/dbraw/zinc/49/76/55/1017497655.db2.gz GUMJOHLQLWWRFT-GHMZBOCLSA-N -1 0 316.354 -0.524 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)CC1CS(=O)(=O)C1)OC ZINC001599047996 1017498099 /nfs/dbraw/zinc/49/80/99/1017498099.db2.gz YPTKYLGNOJYHQZ-UHFFFAOYSA-N -1 0 323.367 -0.657 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C(C)C ZINC001599049061 1017498281 /nfs/dbraw/zinc/49/82/81/1017498281.db2.gz HVEJSFWFQHIRSA-MXWKQRLJSA-N -1 0 316.354 -0.526 20 0 DBADRM CO[C@@H](CNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC001599050089 1017498480 /nfs/dbraw/zinc/49/84/80/1017498480.db2.gz RFZXTZSMZBIOTC-WISYIIOYSA-N -1 0 316.354 -0.173 20 0 DBADRM CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@@H](CO)C(=O)[O-] ZINC001599051506 1017498505 /nfs/dbraw/zinc/49/85/05/1017498505.db2.gz OTHYNBGSJGHIFL-IUCAKERBSA-N -1 0 320.342 -0.522 20 0 DBADRM CO[C@@H](Cn1nnnc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)[C@H]1CCOC1 ZINC001599060992 1017499784 /nfs/dbraw/zinc/49/97/84/1017499784.db2.gz VYKFXEDOYWWQHN-HHHUOAJASA-N -1 0 323.353 -0.509 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@H](C(=O)[O-])C1CC1)[C@@H]1CCOC1 ZINC001599060315 1017500280 /nfs/dbraw/zinc/50/02/80/1017500280.db2.gz UVIIEBQUVCBVHX-MXWKQRLJSA-N -1 0 307.368 -0.180 20 0 DBADRM CO[C@H](Cc1ccccc1)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001599059337 1017500811 /nfs/dbraw/zinc/50/08/11/1017500811.db2.gz SGSTVSVPADHCAC-QWHCGFSZSA-N -1 0 320.345 -0.002 20 0 DBADRM COC(OC)C(=O)N1CCN(C(=O)CCCC(=O)[O-])CC1 ZINC001599060989 1017501561 /nfs/dbraw/zinc/50/15/61/1017501561.db2.gz VXUGKCHJGAIACR-UHFFFAOYSA-N -1 0 302.327 -0.469 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(F)(F)C2)C1 ZINC001599065875 1017502333 /nfs/dbraw/zinc/50/23/33/1017502333.db2.gz JJNVZHHOEMYMNA-LLVKDONJSA-N -1 0 306.265 -0.444 20 0 DBADRM COC1(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])CS(=O)(=O)C1 ZINC001599063689 1017502373 /nfs/dbraw/zinc/50/23/73/1017502373.db2.gz UJVLMDVMZJNOFS-UHFFFAOYSA-N -1 0 302.308 -0.227 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@@]23CCC(=O)N2CCS3)C1 ZINC001599066769 1017502692 /nfs/dbraw/zinc/50/26/92/1017502692.db2.gz YBDONQMHYMQVJN-OLZOCXBDSA-N -1 0 314.363 -0.246 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H]2CCC=CO2)C1 ZINC001599065722 1017503033 /nfs/dbraw/zinc/50/30/33/1017503033.db2.gz ITQWMYYBZNSBMJ-IINYFYTJSA-N -1 0 312.322 -0.503 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2nn(C)cc2C)C1 ZINC001599069077 1017504305 /nfs/dbraw/zinc/50/43/05/1017504305.db2.gz MUJAYYZSVCCGCI-ZDUSSCGKSA-N -1 0 310.310 -0.631 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2ccoc2C)C1 ZINC001599066947 1017504470 /nfs/dbraw/zinc/50/44/70/1017504470.db2.gz HPQUPLPMVQMCSU-CQSZACIVSA-N -1 0 310.306 -0.094 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC[C@H]2CC2(F)F)C1 ZINC001599066972 1017504541 /nfs/dbraw/zinc/50/45/41/1017504541.db2.gz IEAXMUCNBYGNDN-QPUJVOFHSA-N -1 0 320.292 -0.150 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001599068433 1017504837 /nfs/dbraw/zinc/50/48/37/1017504837.db2.gz MVCBSPIVEUOEIW-ZDUSSCGKSA-N -1 0 313.310 -0.980 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2cccnc2)C1 ZINC001599068519 1017505734 /nfs/dbraw/zinc/50/57/34/1017505734.db2.gz PCFXWXGSUGBLSU-AWEZNQCLSA-N -1 0 307.306 -0.487 20 0 DBADRM CCCn1nnnc1CNC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001497807660 1017506303 /nfs/dbraw/zinc/50/63/03/1017506303.db2.gz YGWVZSOFTKJHHX-MRVPVSSYSA-N -1 0 322.373 -0.272 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC001599071694 1017506569 /nfs/dbraw/zinc/50/65/69/1017506569.db2.gz GFDNHJCDIVLIFI-CABZTGNLSA-N -1 0 320.367 -0.551 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCc2nnc3n2CCCC3)C1 ZINC001599071400 1017506997 /nfs/dbraw/zinc/50/69/97/1017506997.db2.gz TWNYYFZOIQDRKN-AWEZNQCLSA-N -1 0 323.353 -0.001 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCCOC(C)C)C1 ZINC001599070577 1017507127 /nfs/dbraw/zinc/50/71/27/1017507127.db2.gz WJSLXUSGIPWJLD-AWEZNQCLSA-N -1 0 316.354 -0.380 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001599069320 1017507809 /nfs/dbraw/zinc/50/78/09/1017507809.db2.gz FIHVMGMCTKQGFE-CQSZACIVSA-N -1 0 309.322 -0.438 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(CC(=O)NCC(=O)NC(C)(C)C)C1 ZINC001599076176 1017508642 /nfs/dbraw/zinc/50/86/42/1017508642.db2.gz IVDKKZZXWYIIMP-CQSZACIVSA-N -1 0 315.370 -0.807 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC001599079809 1017508933 /nfs/dbraw/zinc/50/89/33/1017508933.db2.gz YMRSKLLUYBINCX-JTQLQIEISA-N -1 0 323.758 -0.062 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(Cc2nnn(CC(F)(F)F)n2)C1 ZINC001599078804 1017509355 /nfs/dbraw/zinc/50/93/55/1017509355.db2.gz LUUBMMTUYQRRIZ-VIFPVBQESA-N -1 0 309.248 -0.089 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC001599079122 1017509800 /nfs/dbraw/zinc/50/98/00/1017509800.db2.gz PELHEBIENBLSKE-MIZYBKAJSA-N -1 0 305.352 -0.188 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnnn2C[C@H]2CCCOC2)C1 ZINC001599081665 1017510459 /nfs/dbraw/zinc/51/04/59/1017510459.db2.gz SRXDUGQGYIEIAF-MFKMUULPSA-N -1 0 311.342 -0.220 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2CC2CCOCC2)C1 ZINC001599081706 1017510596 /nfs/dbraw/zinc/51/05/96/1017510596.db2.gz UNHSSPLBOXHLTO-CYBMUJFWSA-N -1 0 311.342 -0.220 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(CC(=O)NCC(=O)OC(C)(C)C)C1 ZINC001599076290 1017510662 /nfs/dbraw/zinc/51/06/62/1017510662.db2.gz KTEDUSKZFFRWIQ-CQSZACIVSA-N -1 0 316.354 -0.380 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(CN2C(=O)c3cccc(N)c3C2=O)C1 ZINC001599077412 1017510781 /nfs/dbraw/zinc/51/07/81/1017510781.db2.gz HVOABPHVBHOCAJ-HNNXBMFYSA-N -1 0 319.317 -0.002 20 0 DBADRM CO[C@@]1(C(=O)OC2CC(CC(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001599080117 1017510822 /nfs/dbraw/zinc/51/08/22/1017510822.db2.gz HRQAMMGAYXJFCT-KWPJZBAWSA-N -1 0 306.336 -0.013 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnc(CCO)n2CC2CC2)C1 ZINC001599080010 1017510920 /nfs/dbraw/zinc/51/09/20/1017510920.db2.gz DTDXEIDJNAIMJK-AWEZNQCLSA-N -1 0 310.354 -0.097 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2C[C@H]2CCCOC2)C1 ZINC001599081666 1017511072 /nfs/dbraw/zinc/51/10/72/1017511072.db2.gz SRXDUGQGYIEIAF-ZWNOBZJWSA-N -1 0 311.342 -0.220 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnnn2C[C@@]2(C)CCOC2)C1 ZINC001599080486 1017511269 /nfs/dbraw/zinc/51/12/69/1017511269.db2.gz KZSHKROKZROEOE-OLZOCXBDSA-N -1 0 311.342 -0.220 20 0 DBADRM CO[C@]1(CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCOC1 ZINC001599089482 1017511814 /nfs/dbraw/zinc/51/18/14/1017511814.db2.gz FYMDAQMMRPBKOG-BREBYQMCSA-N -1 0 302.327 -0.419 20 0 DBADRM COC1(c2nccn2C)CN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1 ZINC001599092872 1017512409 /nfs/dbraw/zinc/51/24/09/1017512409.db2.gz IOVBINHOXXKQCN-GMTAPVOTSA-N -1 0 323.349 -0.018 20 0 DBADRM CO[C@@]1(CNC(=O)c2c[nH]c(C(=O)[O-])c2)CCS(=O)(=O)C1 ZINC001599091625 1017512754 /nfs/dbraw/zinc/51/27/54/1017512754.db2.gz ZNWFHUAFIUHBBO-GFCCVEGCSA-N -1 0 316.335 -0.354 20 0 DBADRM CO[C@@]1(CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)CCOC1 ZINC001599090487 1017512903 /nfs/dbraw/zinc/51/29/03/1017512903.db2.gz BKFYYJXTXJDMDT-GFCCVEGCSA-N -1 0 316.335 -0.136 20 0 DBADRM COC1(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001599092286 1017512941 /nfs/dbraw/zinc/51/29/41/1017512941.db2.gz JOOOICJERBYZJM-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])n2)CCOC1 ZINC001599088608 1017513025 /nfs/dbraw/zinc/51/30/25/1017513025.db2.gz DIXDQPFHEMAHHV-AWEZNQCLSA-N -1 0 323.305 -0.360 20 0 DBADRM CO[C@@]1(CNC(=O)c2cc(C(=O)[O-])co2)CCS(=O)(=O)C1 ZINC001599091370 1017513689 /nfs/dbraw/zinc/51/36/89/1017513689.db2.gz SPULDAPTVQTCMJ-GFCCVEGCSA-N -1 0 317.319 -0.089 20 0 DBADRM CO[C@]1(CNC(=O)c2ccc(C(=O)[O-])o2)CCS(=O)(=O)C1 ZINC001599091097 1017513782 /nfs/dbraw/zinc/51/37/82/1017513782.db2.gz HQJJFHBRWWYXTA-LBPRGKRZSA-N -1 0 317.319 -0.089 20 0 DBADRM COC1(CO)CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)CC1 ZINC001599091696 1017513887 /nfs/dbraw/zinc/51/38/87/1017513887.db2.gz IDCOHCYDXUAADR-UHFFFAOYSA-N -1 0 324.333 -0.454 20 0 DBADRM COC1CCC(N(C)C(=O)C(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001599102503 1017515447 /nfs/dbraw/zinc/51/54/47/1017515447.db2.gz NWLYPRMNZFVPCB-RTBKNWGFSA-N -1 0 304.318 -0.059 20 0 DBADRM CO[C@@H]1CC[C@@H]1N(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599104201 1017515548 /nfs/dbraw/zinc/51/55/48/1017515548.db2.gz MWUMWQAVFQVIHL-AATLWQCWSA-N -1 0 301.343 -0.217 20 0 DBADRM COC1(c2cnnn2C)CN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1 ZINC001599096337 1017515605 /nfs/dbraw/zinc/51/56/05/1017515605.db2.gz YBAVQDCSNITAIO-FXPVBKGRSA-N -1 0 324.337 -0.623 20 0 DBADRM COC1(OC)CCOC[C@@H]1NC(=O)c1cc(C(=O)[O-])on1 ZINC001599095680 1017515700 /nfs/dbraw/zinc/51/57/00/1017515700.db2.gz UAXXAADLVRPCEC-VIFPVBQESA-N -1 0 300.267 -0.119 20 0 DBADRM CO[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001599114167 1017516409 /nfs/dbraw/zinc/51/64/09/1017516409.db2.gz CFSWTIVMDFDKLA-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)[C@@H](O)C(C)(C)O)C(=O)[O-])C1 ZINC001599106533 1017516502 /nfs/dbraw/zinc/51/65/02/1017516502.db2.gz QZRRUFBYJHYMST-ZRUFSTJUSA-N -1 0 303.355 -0.107 20 0 DBADRM CO[C@H]1CCN(C(=O)c2cccc(C(N)=O)n2)[C@@H](C(=O)[O-])C1 ZINC001599120893 1017517483 /nfs/dbraw/zinc/51/74/83/1017517483.db2.gz DGSXZKMUMBFTFH-GZMMTYOYSA-N -1 0 307.306 -0.115 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)c2cn(C)cn2)[C@@H](C(=O)[O-])C1 ZINC001599127899 1017519992 /nfs/dbraw/zinc/51/99/92/1017519992.db2.gz ZLVNHKHEJHUUDK-RKDXNWHRSA-N -1 0 303.340 -0.327 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2CCN=C3C2=NNN3C)[C@@](C)(C(=O)[O-])C1 ZINC001599132440 1017521007 /nfs/dbraw/zinc/52/10/07/1017521007.db2.gz XVPSDBKNASMXDM-ATEUNZGCSA-N -1 0 323.353 -0.699 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)NC3(C(=O)[O-])CC(CO)C3)nc2C1 ZINC001599126789 1017521108 /nfs/dbraw/zinc/52/11/08/1017521108.db2.gz BIPISVQUJMORHK-VOZQYIJBSA-N -1 0 323.349 -0.200 20 0 DBADRM CO[C@H]1CCN(Cc2nnc3c(=O)[nH]ccn23)[C@@H](C(=O)[O-])C1 ZINC001599124215 1017521515 /nfs/dbraw/zinc/52/15/15/1017521515.db2.gz PARYAGQNLQMRKB-DTWKUNHWSA-N -1 0 307.310 -0.518 20 0 DBADRM CO[C@H]1COCC[C@@H]1CC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599137587 1017523027 /nfs/dbraw/zinc/52/30/27/1017523027.db2.gz HBBSEMRGWDOCCP-MNOVXSKESA-N -1 0 316.354 -0.475 20 0 DBADRM CO[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)[C@@](C)(C(=O)[O-])C1 ZINC001599136066 1017523131 /nfs/dbraw/zinc/52/31/31/1017523131.db2.gz YVLCKHCKQHPRHN-LKFCYVNXSA-N -1 0 319.321 -0.243 20 0 DBADRM CO[C@H]1CN(CC2(O)CCS(=O)(=O)CC2)[C@](C)(C(=O)[O-])C1 ZINC001599134430 1017523682 /nfs/dbraw/zinc/52/36/82/1017523682.db2.gz YRJULVLJDRBCIO-PWSUYJOCSA-N -1 0 321.395 -0.510 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cccc(C(=O)[O-])n1 ZINC001599139520 1017525214 /nfs/dbraw/zinc/52/52/14/1017525214.db2.gz LFDSWFPKEHRYFX-ZJUUUORDSA-N -1 0 314.319 -0.678 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599137916 1017525848 /nfs/dbraw/zinc/52/58/48/1017525848.db2.gz DYDNXSUEFMXMMU-VXNVDRBHSA-N -1 0 317.319 -0.172 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NCc1cc(C(=O)[O-])c(C)n1C ZINC001599140346 1017526322 /nfs/dbraw/zinc/52/63/22/1017526322.db2.gz OQVVHBRWAXBXAU-NEPJUHHUSA-N -1 0 316.379 -0.067 20 0 DBADRM CO[C@H]1COCC[C@@H]1N(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001599139244 1017526446 /nfs/dbraw/zinc/52/64/46/1017526446.db2.gz KZYGGWMWFPBXKB-UWVGGRQHSA-N -1 0 310.372 -0.627 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001599137647 1017526503 /nfs/dbraw/zinc/52/65/03/1017526503.db2.gz HLWOKUAWYIPFIL-GMTAPVOTSA-N -1 0 314.338 -0.818 20 0 DBADRM COCC(=O)N1CCCO[C@H](CNc2ncc(C(=O)[O-])cn2)C1 ZINC001599138859 1017526649 /nfs/dbraw/zinc/52/66/49/1017526649.db2.gz CVQYNTORCLTODC-LLVKDONJSA-N -1 0 324.337 -0.149 20 0 DBADRM COCC(=O)N1CCN([C@H](CCC(=O)[O-])C(=O)OC)CC1 ZINC001599140136 1017526748 /nfs/dbraw/zinc/52/67/48/1017526748.db2.gz WTZYCGKATBVRBB-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM COCC(=O)NCCC(=O)N(C)[C@H](COC1CCC1)C(=O)[O-] ZINC001599142626 1017527587 /nfs/dbraw/zinc/52/75/87/1017527587.db2.gz FMPHBRIAAUJMMY-LLVKDONJSA-N -1 0 316.354 -0.380 20 0 DBADRM COCC(=O)NCCC(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-] ZINC001599142638 1017527972 /nfs/dbraw/zinc/52/79/72/1017527972.db2.gz FVSFKEXTHTZJOE-GFCCVEGCSA-N -1 0 324.333 -0.213 20 0 DBADRM COCC(=O)NCCC(=O)N(C)[C@@H](COC1CCC1)C(=O)[O-] ZINC001599142628 1017528190 /nfs/dbraw/zinc/52/81/90/1017528190.db2.gz FMPHBRIAAUJMMY-NSHDSACASA-N -1 0 316.354 -0.380 20 0 DBADRM COCC(=O)NC1CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001599143397 1017528591 /nfs/dbraw/zinc/52/85/91/1017528591.db2.gz RIXWEYHHGUSFAK-MWLCHTKSSA-N -1 0 313.354 -0.356 20 0 DBADRM COCC(=O)N(C)CC(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001599141279 1017528621 /nfs/dbraw/zinc/52/86/21/1017528621.db2.gz MHLFPXYQFPNDCN-GFCCVEGCSA-N -1 0 323.349 -0.454 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(C(=O)[O-])n1C ZINC001599142164 1017528651 /nfs/dbraw/zinc/52/86/51/1017528651.db2.gz YWJGNRRIXZLWAR-KOLCDFICSA-N -1 0 302.352 -0.375 20 0 DBADRM COCC(=O)NC1CCN(C(=O)NCC2(C(=O)[O-])CC2)CC1 ZINC001599143390 1017528800 /nfs/dbraw/zinc/52/88/00/1017528800.db2.gz RFDYSDULXYZMKM-UHFFFAOYSA-N -1 0 313.354 -0.212 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001599141616 1017528938 /nfs/dbraw/zinc/52/89/38/1017528938.db2.gz XOSNSADQZYNDDN-NXEZZACHSA-N -1 0 307.368 -0.035 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001599140637 1017529008 /nfs/dbraw/zinc/52/90/08/1017529008.db2.gz PWJQBAYZHWWYJM-ZRUFSTJUSA-N -1 0 307.368 -0.085 20 0 DBADRM COCC(=O)N[C@H](C(=O)NCCSCC(=O)[O-])C(C)C ZINC001599143200 1017529023 /nfs/dbraw/zinc/52/90/23/1017529023.db2.gz VZUSVWAPQQIRBJ-NSHDSACASA-N -1 0 306.384 -0.292 20 0 DBADRM COCC(=O)NCCC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC001599143537 1017530905 /nfs/dbraw/zinc/53/09/05/1017530905.db2.gz WIPAOLRESQUTDS-ZJUUUORDSA-N -1 0 302.327 -0.770 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@]1(F)CCS(=O)(=O)C1 ZINC001599145765 1017531238 /nfs/dbraw/zinc/53/12/38/1017531238.db2.gz IWHNDFSAOUHCRX-QWRGUYRKSA-N -1 0 311.331 -0.491 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-] ZINC001599155117 1017532055 /nfs/dbraw/zinc/53/20/55/1017532055.db2.gz JLBNGZLXSZCINI-LLVKDONJSA-N -1 0 323.367 -0.261 20 0 DBADRM COC[C@@](C)(O)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001599156145 1017532539 /nfs/dbraw/zinc/53/25/39/1017532539.db2.gz ADWZXLAGWOMYJH-GFCCVEGCSA-N -1 0 300.311 -0.394 20 0 DBADRM COC[C@](C)(NCC(=O)NC1CCN(C(C)=O)CC1)C(=O)[O-] ZINC001599154008 1017532784 /nfs/dbraw/zinc/53/27/84/1017532784.db2.gz FUVPEQRVHPHQMX-AWEZNQCLSA-N -1 0 315.370 -0.807 20 0 DBADRM COC[C@](C)(NCC(=O)NC(=O)NCC(F)(F)F)C(=O)[O-] ZINC001599154896 1017532970 /nfs/dbraw/zinc/53/29/70/1017532970.db2.gz ZOKAWJNKNRAGEI-VIFPVBQESA-N -1 0 315.248 -0.546 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001599160083 1017534314 /nfs/dbraw/zinc/53/43/14/1017534314.db2.gz PAWIHQYWKOYPJN-LPEHRKFASA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@H](C)C(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001599157517 1017534828 /nfs/dbraw/zinc/53/48/28/1017534828.db2.gz FSFTZSADMWPOEN-GUBZILKMSA-N -1 0 308.338 -0.062 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599156819 1017535252 /nfs/dbraw/zinc/53/52/52/1017535252.db2.gz KSRRKQIDVXVXGQ-ZJUUUORDSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001599160081 1017535581 /nfs/dbraw/zinc/53/55/81/1017535581.db2.gz PAWIHQYWKOYPJN-IVZWLZJFSA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@H](C)n1nnnc1N1C[C@@H]2COCC[C@]2(C(=O)[O-])C1 ZINC001599160878 1017535587 /nfs/dbraw/zinc/53/55/87/1017535587.db2.gz NCYWETFEHIJFQL-CWSCBRNRSA-N -1 0 311.342 -0.192 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001599160687 1017535618 /nfs/dbraw/zinc/53/56/18/1017535618.db2.gz UDPIAQSCOFXJNH-XHNCKOQMSA-N -1 0 309.340 -0.843 20 0 DBADRM COC[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001599157718 1017535654 /nfs/dbraw/zinc/53/56/54/1017535654.db2.gz JBZNNYQALKSERJ-AEJSXWLSSA-N -1 0 324.337 -0.877 20 0 DBADRM COC[C@H](CCO)NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599163526 1017537782 /nfs/dbraw/zinc/53/77/82/1017537782.db2.gz LYXBNTIDFOUBOV-QMMMGPOBSA-N -1 0 307.324 -0.038 20 0 DBADRM COCC(COC)N1CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC001599164938 1017537216 /nfs/dbraw/zinc/53/72/16/1017537216.db2.gz RGXLVVVYHFTQMR-UHFFFAOYSA-N -1 0 310.354 -0.042 20 0 DBADRM COC[C@@H](CCO)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001599162591 1017537372 /nfs/dbraw/zinc/53/73/72/1017537372.db2.gz CAEXEZNHZGMNKJ-MRVPVSSYSA-N -1 0 311.294 -0.768 20 0 DBADRM COC[C@H](CCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-])OC ZINC001599162803 1017537437 /nfs/dbraw/zinc/53/74/37/1017537437.db2.gz KSCGTWIKIOASEY-MNOVXSKESA-N -1 0 316.354 -0.380 20 0 DBADRM COC[C@@H](CCO)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001599162934 1017537593 /nfs/dbraw/zinc/53/75/93/1017537593.db2.gz QOAFDKCSORKWLJ-MRVPVSSYSA-N -1 0 302.283 -0.597 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001599164816 1017537725 /nfs/dbraw/zinc/53/77/25/1017537725.db2.gz COAOAVMXRRJFHW-JTQLQIEISA-N -1 0 310.306 -0.245 20 0 DBADRM COC[C@@H](CCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-])OC ZINC001599162802 1017537914 /nfs/dbraw/zinc/53/79/14/1017537914.db2.gz KSCGTWIKIOASEY-GHMZBOCLSA-N -1 0 316.354 -0.380 20 0 DBADRM COC[C@H](CCNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)OC ZINC001599163043 1017537932 /nfs/dbraw/zinc/53/79/32/1017537932.db2.gz VPWPXZHCAXXWKQ-VWYCJHECSA-N -1 0 304.343 -0.079 20 0 DBADRM COCC(=O)N(C)C[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001497887634 1017538712 /nfs/dbraw/zinc/53/87/12/1017538712.db2.gz NSUXRIFPIWMVPH-JTQLQIEISA-N -1 0 310.354 -0.009 20 0 DBADRM COC[C@@H](CS(=O)(=O)N1CCSC[C@H]1C(=O)[O-])OC ZINC001599166496 1017539198 /nfs/dbraw/zinc/53/91/98/1017539198.db2.gz OFECQMHZIKHZEU-IUCAKERBSA-N -1 0 313.397 -0.520 20 0 DBADRM COC[C@H](NC(=O)[C@H](C)Sc1nnnn1C1CC1)C(=O)[O-] ZINC001599165948 1017539606 /nfs/dbraw/zinc/53/96/06/1017539606.db2.gz HOLZPOWTDWHTDI-XPUUQOCRSA-N -1 0 315.355 -0.296 20 0 DBADRM COC[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC001599167887 1017539723 /nfs/dbraw/zinc/53/97/23/1017539723.db2.gz VQGQYNFJMGIAHD-SFYZADRCSA-N -1 0 310.372 -0.834 20 0 DBADRM COC[C@@H](NC(=O)[C@@](C)(O)Cn1c(C)cccc1=O)C(=O)[O-] ZINC001599167300 1017539752 /nfs/dbraw/zinc/53/97/52/1017539752.db2.gz RGARUIPQLSJKSL-YGRLFVJLSA-N -1 0 312.322 -0.876 20 0 DBADRM COC[C@@H](CS(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])OC ZINC001599167288 1017539997 /nfs/dbraw/zinc/53/99/97/1017539997.db2.gz VGAVSTYLOQULEE-BQBZGAKWSA-N -1 0 323.289 -0.027 20 0 DBADRM COC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001599167436 1017540077 /nfs/dbraw/zinc/54/00/77/1017540077.db2.gz VAOLMLAGSHEYJG-SNVBAGLBSA-N -1 0 310.306 -0.245 20 0 DBADRM COC[C@@H](CS(=O)(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)OC ZINC001599166105 1017540289 /nfs/dbraw/zinc/54/02/89/1017540289.db2.gz XULVJWROQFFXHM-FXQIFTODSA-N -1 0 317.310 -0.467 20 0 DBADRM COC[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)C(N)=O ZINC001599167343 1017540512 /nfs/dbraw/zinc/54/05/12/1017540512.db2.gz RTWJIEUHRPKKEY-PGUXBMHVSA-N -1 0 306.318 -0.139 20 0 DBADRM COC[C@@H](NC(=O)CCc1nc(-c2ncccn2)no1)C(=O)[O-] ZINC001599169594 1017541812 /nfs/dbraw/zinc/54/18/12/1017541812.db2.gz YYGCZEBDRPYTQD-MRVPVSSYSA-N -1 0 321.293 -0.325 20 0 DBADRM COC[C@H](NC(=O)c1nnn(Cc2cc(C)no2)c1C)C(=O)[O-] ZINC001599175249 1017542202 /nfs/dbraw/zinc/54/22/02/1017542202.db2.gz FBAJLGBYIXXJJF-JTQLQIEISA-N -1 0 323.309 -0.239 20 0 DBADRM COC[C@@H](NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1)C(C)C ZINC001599169644 1017542210 /nfs/dbraw/zinc/54/22/10/1017542210.db2.gz MJVTULHFSFHBFC-GMTAPVOTSA-N -1 0 316.354 -0.526 20 0 DBADRM COC[C@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)C(=O)[O-] ZINC001599169523 1017542276 /nfs/dbraw/zinc/54/22/76/1017542276.db2.gz CVOKWCNTDJLTPH-VIFPVBQESA-N -1 0 321.289 -0.682 20 0 DBADRM COC[C@@H](NC(=O)N1CC(O)(C(=O)[O-])C1)[C@H]1CCCOC1 ZINC001599170574 1017542330 /nfs/dbraw/zinc/54/23/30/1017542330.db2.gz UUTTYWKWWOIOFG-VHSXEESVSA-N -1 0 302.327 -0.731 20 0 DBADRM COC[C@H](NC(=O)c1c(C)nn(C)c1-n1cccn1)C(=O)[O-] ZINC001599174854 1017542408 /nfs/dbraw/zinc/54/24/08/1017542408.db2.gz UWSMQZSDNCEYLG-VIFPVBQESA-N -1 0 307.310 -0.256 20 0 DBADRM COC[C@H](N[C@@H](C(=O)OC)c1cccc(C(=O)[O-])c1)C(N)=O ZINC001599174311 1017542601 /nfs/dbraw/zinc/54/26/01/1017542601.db2.gz VPIGATWUFVJSRY-WDEREUQCSA-N -1 0 310.306 -0.311 20 0 DBADRM COC[C@H](NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C(N)=O ZINC001599176356 1017543367 /nfs/dbraw/zinc/54/33/67/1017543367.db2.gz JNXKKTWCTFTTMS-XHNCKOQMSA-N -1 0 308.356 -0.951 20 0 DBADRM COC[C@H](NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C(N)=O ZINC001599176355 1017543832 /nfs/dbraw/zinc/54/38/32/1017543832.db2.gz JNXKKTWCTFTTMS-VGMNWLOBSA-N -1 0 308.356 -0.951 20 0 DBADRM COC[C@H](NC(=O)c1cccc(S(N)(=O)=O)c1C)C(=O)[O-] ZINC001599175569 1017544290 /nfs/dbraw/zinc/54/42/90/1017544290.db2.gz UWWBVQGKHMMYBM-VIFPVBQESA-N -1 0 316.335 -0.528 20 0 DBADRM COC[C@H](O)CCNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001599179434 1017544299 /nfs/dbraw/zinc/54/42/99/1017544299.db2.gz QFAPAMVLZNRJFS-SECBINFHSA-N -1 0 318.351 -0.236 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)OC ZINC001599177871 1017544613 /nfs/dbraw/zinc/54/46/13/1017544613.db2.gz HMPFKXDANURHHY-SNVBAGLBSA-N -1 0 317.319 -0.149 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001599185365 1017546206 /nfs/dbraw/zinc/54/62/06/1017546206.db2.gz BVEHPULTJQGBFK-RKDXNWHRSA-N -1 0 312.326 -0.825 20 0 DBADRM COC[C@]1(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CCOC1 ZINC001599183035 1017547133 /nfs/dbraw/zinc/54/71/33/1017547133.db2.gz AWDUTYRWKUKKIG-KGLIPLIRSA-N -1 0 312.322 -0.129 20 0 DBADRM COC[C@@]1(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CCOC1 ZINC001599183676 1017547160 /nfs/dbraw/zinc/54/71/60/1017547160.db2.gz ILZHTOWVWJQBSW-YGRLFVJLSA-N -1 0 317.338 -0.238 20 0 DBADRM COC[C@@H](OC)C(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001599182083 1017547599 /nfs/dbraw/zinc/54/75/99/1017547599.db2.gz LPIIZKDUORBCIN-SECBINFHSA-N -1 0 324.337 -0.681 20 0 DBADRM COC[C@@H](OC)C(=O)NC[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001599180672 1017547779 /nfs/dbraw/zinc/54/77/79/1017547779.db2.gz AEDINIZOBNPNTA-WCBMZHEXSA-N -1 0 312.326 -0.247 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CS(=O)(=O)C1CC1 ZINC001599189625 1017548505 /nfs/dbraw/zinc/54/85/05/1017548505.db2.gz AKHUIFCSRQBHEA-LBPRGKRZSA-N -1 0 305.352 -0.344 20 0 DBADRM COCC1(S(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CC1 ZINC001599201425 1017550026 /nfs/dbraw/zinc/55/00/26/1017550026.db2.gz GERFDAKOSXKBHS-SNVBAGLBSA-N -1 0 307.368 -0.347 20 0 DBADRM COC[C@]1(CO)CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C1 ZINC001599200229 1017550102 /nfs/dbraw/zinc/55/01/02/1017550102.db2.gz CCJHJLFSJLKZGK-IUODEOHRSA-N -1 0 316.398 -0.067 20 0 DBADRM COC[C@]1(C)CN([C@@H]2CCN(CCC(=O)[O-])C2=O)CCO1 ZINC001599195817 1017550417 /nfs/dbraw/zinc/55/04/17/1017550417.db2.gz WIPVBBAAHAGUER-RISCZKNCSA-N -1 0 300.355 -0.201 20 0 DBADRM COC[C@@H]1CC[C@@H]([C@@H]2COCCN2CC(=O)NCC(=O)[O-])O1 ZINC001599202274 1017550849 /nfs/dbraw/zinc/55/08/49/1017550849.db2.gz AGPQPSIGJCBODQ-SRVKXCTJSA-N -1 0 316.354 -0.918 20 0 DBADRM COCC1(O)CN(S(=O)(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001599201169 1017550986 /nfs/dbraw/zinc/55/09/86/1017550986.db2.gz CHTUTQCCIGRYCY-UHFFFAOYSA-N -1 0 315.347 -0.092 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1c1nnnn1C[C@@H]1CCOC1 ZINC001599196249 1017551164 /nfs/dbraw/zinc/55/11/64/1017551164.db2.gz XFLWGJMHRDDQIK-GXFFZTMASA-N -1 0 311.342 -0.220 20 0 DBADRM COC[C@@]1(CO)CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001599200270 1017551460 /nfs/dbraw/zinc/55/14/60/1017551460.db2.gz CDKLYJAYVFTMOA-NSHDSACASA-N -1 0 320.323 -0.608 20 0 DBADRM COC[C@]1(CO)CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001599200313 1017551529 /nfs/dbraw/zinc/55/15/29/1017551529.db2.gz DGYGBPIQYBOXOS-CYBMUJFWSA-N -1 0 312.326 -0.170 20 0 DBADRM COC[C@@]1(CO)CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001599201495 1017551692 /nfs/dbraw/zinc/55/16/92/1017551692.db2.gz VBVXCTACICWDFX-LBPRGKRZSA-N -1 0 309.384 -0.242 20 0 DBADRM COCC1(O)CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001599201899 1017551789 /nfs/dbraw/zinc/55/17/89/1017551789.db2.gz SSHRIFFXCPQEQM-UHFFFAOYSA-N -1 0 309.384 -0.100 20 0 DBADRM COC[C@]1(CO)CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001599201326 1017551802 /nfs/dbraw/zinc/55/18/02/1017551802.db2.gz SLZPUTATOIARDR-GFCCVEGCSA-N -1 0 318.351 -0.268 20 0 DBADRM COC[C@@H]1CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CCO1 ZINC001599204996 1017552566 /nfs/dbraw/zinc/55/25/66/1017552566.db2.gz GUWYEBIEOKBHMD-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@H]1COCCN1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599207027 1017552764 /nfs/dbraw/zinc/55/27/64/1017552764.db2.gz GVRVTQVTLIXMQF-OUAUKWLOSA-N -1 0 302.327 -0.467 20 0 DBADRM COCC[C@H](C)NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001599210120 1017555716 /nfs/dbraw/zinc/55/57/16/1017555716.db2.gz BQXMWRMAEFUWSC-IVZWLZJFSA-N -1 0 302.327 -0.073 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC001599206385 1017552867 /nfs/dbraw/zinc/55/28/67/1017552867.db2.gz JFJGETSDUHNIRO-AXFHLTTASA-N -1 0 314.338 -0.818 20 0 DBADRM COC[C@@H]1CN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CCO1 ZINC001599204995 1017552959 /nfs/dbraw/zinc/55/29/59/1017552959.db2.gz GUWYEBIEOKBHMD-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@H]1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001599205834 1017553179 /nfs/dbraw/zinc/55/31/79/1017553179.db2.gz URBMZRWFQPMTTJ-QMMMGPOBSA-N -1 0 310.310 -0.448 20 0 DBADRM COC[C@@H]1CNCCN1S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001599206561 1017553756 /nfs/dbraw/zinc/55/37/56/1017553756.db2.gz BSNDVLJBEBHZOH-TUAOUCFPSA-N -1 0 320.411 -0.120 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C[C@H](C)O1 ZINC001599206245 1017554093 /nfs/dbraw/zinc/55/40/93/1017554093.db2.gz FCWYIGXLJKMUOT-NAKRPEOUSA-N -1 0 314.338 -0.914 20 0 DBADRM COC[C@@H]1COCCN1Cn1nc(C(=O)OC)cc1C(=O)[O-] ZINC001599208318 1017554206 /nfs/dbraw/zinc/55/42/06/1017554206.db2.gz RPQZDECFFBNSIN-SECBINFHSA-N -1 0 313.310 -0.327 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001599211411 1017554772 /nfs/dbraw/zinc/55/47/72/1017554772.db2.gz HUDVEZADPHTBBA-DTWKUNHWSA-N -1 0 308.356 -0.984 20 0 DBADRM COCC[C@H](NC(=O)[C@@H](C)Sc1nncn1C)C(=O)[O-] ZINC001599212813 1017555212 /nfs/dbraw/zinc/55/52/12/1017555212.db2.gz IRLZLZVHDRAGCN-SFYZADRCSA-N -1 0 302.356 -0.098 20 0 DBADRM COCC[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])n1)C(N)=O ZINC001599211471 1017555352 /nfs/dbraw/zinc/55/53/52/1017555352.db2.gz DYDZGURGWDINON-SECBINFHSA-N -1 0 310.310 -0.279 20 0 DBADRM COCC[C@H](CO)NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599212708 1017555475 /nfs/dbraw/zinc/55/54/75/1017555475.db2.gz YJHNEYDOYIVDPH-MRVPVSSYSA-N -1 0 307.324 -0.038 20 0 DBADRM COCC[C@](C)(O)CNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001599209952 1017555838 /nfs/dbraw/zinc/55/58/38/1017555838.db2.gz VSMLJGWDNKRLDJ-NSHDSACASA-N -1 0 309.384 -0.052 20 0 DBADRM COCC[C@@](C)(O)CNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001599209951 1017556273 /nfs/dbraw/zinc/55/62/73/1017556273.db2.gz VSMLJGWDNKRLDJ-LLVKDONJSA-N -1 0 309.384 -0.052 20 0 DBADRM COCCC(=O)N(C)C[C@@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001599208970 1017556314 /nfs/dbraw/zinc/55/63/14/1017556314.db2.gz XVYOUQWZETZSTQ-JTQLQIEISA-N -1 0 312.326 -0.558 20 0 DBADRM COCC[C@H](NC(=O)CN1CCCCC(=O)C1=O)C(=O)[O-] ZINC001599215559 1017557130 /nfs/dbraw/zinc/55/71/30/1017557130.db2.gz XANBRWUEAFGMFG-VIFPVBQESA-N -1 0 300.311 -0.826 20 0 DBADRM COCC[C@H](NC(=O)C[C@]1(C)CCS(=O)(=O)N1)C(=O)[O-] ZINC001599215290 1017557385 /nfs/dbraw/zinc/55/73/85/1017557385.db2.gz JJUARHPLFSZMKT-KWQFWETISA-N -1 0 308.356 -0.936 20 0 DBADRM COCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-] ZINC001599215062 1017558055 /nfs/dbraw/zinc/55/80/55/1017558055.db2.gz IFTNSUZLNBNKKY-WCBMZHEXSA-N -1 0 310.310 -0.632 20 0 DBADRM COCCCOC1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001599226560 1017559325 /nfs/dbraw/zinc/55/93/25/1017559325.db2.gz AUIRAQFOANMPNQ-ZYHUDNBSSA-N -1 0 316.354 -0.077 20 0 DBADRM COCCCOCC(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599226998 1017560218 /nfs/dbraw/zinc/56/02/18/1017560218.db2.gz NGVFPWLVLROMDH-QWRGUYRKSA-N -1 0 314.338 -0.913 20 0 DBADRM COCCCCS(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599223270 1017560655 /nfs/dbraw/zinc/56/06/55/1017560655.db2.gz NLELXVDJEBDMOQ-LLVKDONJSA-N -1 0 309.384 -0.100 20 0 DBADRM COCCCS(=O)(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599227795 1017560738 /nfs/dbraw/zinc/56/07/38/1017560738.db2.gz ZJRFROVYBGOPPM-SECBINFHSA-N -1 0 318.355 -0.411 20 0 DBADRM COCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599224440 1017561005 /nfs/dbraw/zinc/56/10/05/1017561005.db2.gz QEHQHCDUDCNEKA-VLLVSFFDSA-N -1 0 310.350 -0.293 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cn(-c2cccnc2)nn1 ZINC001599234298 1017563226 /nfs/dbraw/zinc/56/32/26/1017563226.db2.gz WXPGDGKTSLPMSB-UHFFFAOYSA-N -1 0 305.294 -0.165 20 0 DBADRM COCCCn1cc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])cn1 ZINC001599230198 1017563773 /nfs/dbraw/zinc/56/37/73/1017563773.db2.gz OGZRHMZTXRPAFJ-GFCCVEGCSA-N -1 0 321.337 -0.001 20 0 DBADRM COCCN1C[C@H](C(=O)OCc2oncc2C(=O)[O-])CC1=O ZINC001599240902 1017568667 /nfs/dbraw/zinc/56/86/67/1017568667.db2.gz UKGWZCOENVOOTQ-MRVPVSSYSA-N -1 0 312.278 -0.089 20 0 DBADRM COCCN1CCN(C(=O)Nc2cc(C(=O)[O-])nn2C)CC1 ZINC001599240783 1017569245 /nfs/dbraw/zinc/56/92/45/1017569245.db2.gz SKWORUYKOSNRHW-UHFFFAOYSA-N -1 0 311.342 -0.086 20 0 DBADRM COCCN1CCN(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1=O ZINC001599241005 1017569790 /nfs/dbraw/zinc/56/97/90/1017569790.db2.gz WRYZPWUZLJWZMY-NSHDSACASA-N -1 0 311.338 -0.340 20 0 DBADRM COCCOC[C@H](C)NC(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001599250058 1017570774 /nfs/dbraw/zinc/57/07/74/1017570774.db2.gz UAONULYYDCYCKX-GXFFZTMASA-N -1 0 304.343 -0.077 20 0 DBADRM COCCOCC(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001599248096 1017570875 /nfs/dbraw/zinc/57/08/75/1017570875.db2.gz PRIAPSNWEJDSNP-LLVKDONJSA-N -1 0 324.337 -0.467 20 0 DBADRM COCCNc1nc(CC(=O)N[C@@H](COC)C(=O)[O-])cs1 ZINC001599246367 1017571059 /nfs/dbraw/zinc/57/10/59/1017571059.db2.gz MLWWSNWAVYHPRL-VIFPVBQESA-N -1 0 317.367 -0.040 20 0 DBADRM COCCO[C@H](C)c1nnc(N2CCO[C@H](C(=O)[O-])C2)n1C ZINC001599249669 1017571180 /nfs/dbraw/zinc/57/11/80/1017571180.db2.gz ZNWQORLRUCHRGD-ZJUUUORDSA-N -1 0 314.342 -0.171 20 0 DBADRM COCCOC[C@H](C)N1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC001599250100 1017571419 /nfs/dbraw/zinc/57/14/19/1017571419.db2.gz UWLIPVNUPWGNKO-SGIHWFKDSA-N -1 0 300.311 -0.321 20 0 DBADRM COCCOCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001599248396 1017571476 /nfs/dbraw/zinc/57/14/76/1017571476.db2.gz XGCGOSQSRXWSTF-GHMZBOCLSA-N -1 0 314.338 -0.959 20 0 DBADRM COCCOCc1nnc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1C ZINC001599252777 1017573127 /nfs/dbraw/zinc/57/31/27/1017573127.db2.gz OMEDFLVHYQUWGX-ZJUUUORDSA-N -1 0 314.342 -0.344 20 0 DBADRM COCCOCCN(CCO)C(=O)c1csc(C(=O)[O-])n1 ZINC001599250676 1017574338 /nfs/dbraw/zinc/57/43/38/1017574338.db2.gz PWRXVFOHVLEWQZ-UHFFFAOYSA-N -1 0 318.351 -0.061 20 0 DBADRM COCCOCCCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001599250730 1017574747 /nfs/dbraw/zinc/57/47/47/1017574747.db2.gz SWWLSCBPGMLBRF-AWEZNQCLSA-N -1 0 316.354 -0.521 20 0 DBADRM COCCS(=O)(=O)CC(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001599262408 1017576191 /nfs/dbraw/zinc/57/61/91/1017576191.db2.gz RGMCVCUVUAWZLB-JTQLQIEISA-N -1 0 307.368 -0.335 20 0 DBADRM COCCc1noc(CN2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001599264956 1017576252 /nfs/dbraw/zinc/57/62/52/1017576252.db2.gz LENJXMCUQLWSHX-VHSXEESVSA-N -1 0 324.337 -0.720 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001599271139 1017576315 /nfs/dbraw/zinc/57/63/15/1017576315.db2.gz HYBRSKMUYBOXAQ-AOOOYVTPSA-N -1 0 324.337 -0.210 20 0 DBADRM COCCc1noc(CN2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001599264954 1017576500 /nfs/dbraw/zinc/57/65/00/1017576500.db2.gz LENJXMCUQLWSHX-UWVGGRQHSA-N -1 0 324.337 -0.720 20 0 DBADRM COCCn1cc(NC(=O)C(=O)NC2(C(=O)[O-])CC2)ccc1=O ZINC001599271517 1017576665 /nfs/dbraw/zinc/57/66/65/1017576665.db2.gz OXUZKBUDBAUCTJ-UHFFFAOYSA-N -1 0 323.305 -0.833 20 0 DBADRM COCCn1cc(C(=O)N[C@@](C)(CO)C(=O)[O-])c(=O)cc1C ZINC001599272485 1017577939 /nfs/dbraw/zinc/57/79/39/1017577939.db2.gz QNZCGQPROJUJDN-AWEZNQCLSA-N -1 0 312.322 -0.631 20 0 DBADRM COCCn1ccc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)n1 ZINC001599272921 1017578649 /nfs/dbraw/zinc/57/86/49/1017578649.db2.gz ONIWBMDGOTYUIU-AWEZNQCLSA-N -1 0 322.321 -0.025 20 0 DBADRM COC[C@@H](O)CNC(=O)C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001599276196 1017579067 /nfs/dbraw/zinc/57/90/67/1017579067.db2.gz POYYOKNYPNPTIK-ZETCQYMHSA-N -1 0 316.335 -0.183 20 0 DBADRM COCCn1cnc2c1c(=O)n(CC(=O)[O-])c(=O)n2CC(C)C ZINC001599274201 1017579079 /nfs/dbraw/zinc/57/90/79/1017579079.db2.gz NNAWZYDSUWXRTF-UHFFFAOYSA-N -1 0 324.337 -0.253 20 0 DBADRM COCCn1cc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])c(C)n1 ZINC001599272638 1017579162 /nfs/dbraw/zinc/57/91/62/1017579162.db2.gz WGZQHDOVIYAKFV-LBPRGKRZSA-N -1 0 321.337 -0.082 20 0 DBADRM COCCn1cc(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cn1 ZINC001599271950 1017579310 /nfs/dbraw/zinc/57/93/10/1017579310.db2.gz VBZWEOSAANOGCW-XYPYZODXSA-N -1 0 324.337 -0.875 20 0 DBADRM COCc1cccc(CNC(=O)CN2C[C@@H](O)C[C@H]2C(=O)[O-])c1 ZINC001599295842 1017580081 /nfs/dbraw/zinc/58/00/81/1017580081.db2.gz NJULQLMDSFTLIT-KBPBESRZSA-N -1 0 322.361 -0.031 20 0 DBADRM COCc1nc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])cs1 ZINC001599300114 1017580758 /nfs/dbraw/zinc/58/07/58/1017580758.db2.gz WQKZAWCDTSBYTL-QMMMGPOBSA-N -1 0 313.335 -0.343 20 0 DBADRM COCc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)ncn1 ZINC001599283156 1017581145 /nfs/dbraw/zinc/58/11/45/1017581145.db2.gz RVNBNWVCCFESTO-PSASIEDQSA-N -1 0 322.321 -0.259 20 0 DBADRM COCc1nc(C)c(C(=O)NCC(=O)NCC(=O)[O-])s1 ZINC001599300336 1017581271 /nfs/dbraw/zinc/58/12/71/1017581271.db2.gz CJEKGASRKNEJNL-UHFFFAOYSA-N -1 0 301.324 -0.471 20 0 DBADRM COC[C@H](O)CNC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001599277756 1017581986 /nfs/dbraw/zinc/58/19/86/1017581986.db2.gz QEYHKTAGJHSLHF-BDAKNGLRSA-N -1 0 320.342 -0.522 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599315067 1017587284 /nfs/dbraw/zinc/58/72/84/1017587284.db2.gz LGFNTNVPRWZHJR-YIZRAAEISA-N -1 0 303.315 -0.722 20 0 DBADRM COCc1cncc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC001599298554 1017582274 /nfs/dbraw/zinc/58/22/74/1017582274.db2.gz HWDIVDFVNRHUIZ-NSHDSACASA-N -1 0 307.306 -0.357 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)COCc1ocnc1C(=O)[O-] ZINC001599276882 1017582329 /nfs/dbraw/zinc/58/23/29/1017582329.db2.gz MPFDJLDOZUTRHR-RKDXNWHRSA-N -1 0 314.294 -0.502 20 0 DBADRM COCc1nccc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC001599305076 1017582889 /nfs/dbraw/zinc/58/28/89/1017582889.db2.gz ATQRONKYPANQKO-VIFPVBQESA-N -1 0 322.321 -0.115 20 0 DBADRM COCc1noc(CNC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001599307419 1017583847 /nfs/dbraw/zinc/58/38/47/1017583847.db2.gz BOCGVTDSHXFWJX-BDAKNGLRSA-N -1 0 324.337 -0.325 20 0 DBADRM COCn1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)n1 ZINC001599306932 1017584477 /nfs/dbraw/zinc/58/44/77/1017584477.db2.gz GXPIGOLBGBPACC-UHFFFAOYSA-N -1 0 306.282 -0.526 20 0 DBADRM CON(C)C(=O)CNC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001599315134 1017585372 /nfs/dbraw/zinc/58/53/72/1017585372.db2.gz NOYXAALRSJHHEA-UHFFFAOYSA-N -1 0 302.312 -0.089 20 0 DBADRM CON(C)C(=O)CNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001599315891 1017585696 /nfs/dbraw/zinc/58/56/96/1017585696.db2.gz NIGMIBBQTSGCKQ-TVQRCGJNSA-N -1 0 315.326 -0.861 20 0 DBADRM CON1CCC(CC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1 ZINC001599318351 1017586151 /nfs/dbraw/zinc/58/61/51/1017586151.db2.gz KUZMAEPTSXOVQW-NEPJUHHUSA-N -1 0 300.355 -0.056 20 0 DBADRM CON1CCC(CC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1 ZINC001599318361 1017586620 /nfs/dbraw/zinc/58/66/20/1017586620.db2.gz KUZMAEPTSXOVQW-VXGBXAGGSA-N -1 0 300.355 -0.056 20 0 DBADRM CON(C)C(=O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC001599315585 1017586682 /nfs/dbraw/zinc/58/66/82/1017586682.db2.gz FXBLKDLSKCFIHS-UHFFFAOYSA-N -1 0 323.305 -0.232 20 0 DBADRM CON(C)C(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001599315148 1017586802 /nfs/dbraw/zinc/58/68/02/1017586802.db2.gz NUHMIXSVKZIIJZ-SSDOTTSWSA-N -1 0 319.339 -0.590 20 0 DBADRM CON(C(=O)CNC(=O)c1ncccc1O)[C@@H](C)CC(=O)[O-] ZINC001599310585 1017587077 /nfs/dbraw/zinc/58/70/77/1017587077.db2.gz UEHKRVADIXGQQP-QMMMGPOBSA-N -1 0 311.294 -0.230 20 0 DBADRM CO[C@@H](C)CNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001599319697 1017588830 /nfs/dbraw/zinc/58/88/30/1017588830.db2.gz KKCWCTOHLKNYEP-QMMMGPOBSA-N -1 0 312.326 -0.208 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001599321631 1017589279 /nfs/dbraw/zinc/58/92/79/1017589279.db2.gz AYQMDKAQZHEIDG-KZWBYHQPSA-N -1 0 314.338 -0.467 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2csnc2C(=O)[O-])C[C@H]1O ZINC001599323314 1017590106 /nfs/dbraw/zinc/59/01/06/1017590106.db2.gz KEKCPECZDKQKEJ-PHDIDXHHSA-N -1 0 308.337 -0.779 20 0 DBADRM CO[C@@H]1C[C@H]1C(=O)N1[C@@H](C)SC[C@H]1C(=O)NCCC(=O)[O-] ZINC001599324553 1017591240 /nfs/dbraw/zinc/59/12/40/1017591240.db2.gz KPSZOEGSBDRNGP-DOLQZWNJSA-N -1 0 316.379 -0.098 20 0 DBADRM COc1c(C(=O)[O-])ncnc1N1CCN(C(=O)N(C)C)CC1 ZINC001599330888 1017592353 /nfs/dbraw/zinc/59/23/53/1017592353.db2.gz CWLODWZDLCKDKQ-UHFFFAOYSA-N -1 0 309.326 -0.013 20 0 DBADRM COc1c(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cnn1C ZINC001599328527 1017592542 /nfs/dbraw/zinc/59/25/42/1017592542.db2.gz GSCBOTRAAMAJIG-LKFCYVNXSA-N -1 0 309.322 -0.008 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599328682 1017593106 /nfs/dbraw/zinc/59/31/06/1017593106.db2.gz NUYKATWFGIECST-LURJTMIESA-N -1 0 313.266 -0.788 20 0 DBADRM COc1cc(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)on1 ZINC001599353775 1017593767 /nfs/dbraw/zinc/59/37/67/1017593767.db2.gz OBZVEBXHZCEEPC-WRWORJQWSA-N -1 0 318.307 -0.699 20 0 DBADRM COc1cc(C(=O)N2CC(O)(C(=O)[O-])C2)cc(OC)c1OC ZINC001599352457 1017593786 /nfs/dbraw/zinc/59/37/86/1017593786.db2.gz SNDVCINPNGLUJS-UHFFFAOYSA-N -1 0 311.290 -0.016 20 0 DBADRM COc1c(N)ncnc1N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599335880 1017593951 /nfs/dbraw/zinc/59/39/51/1017593951.db2.gz QQIWFFYBSNOFSI-ZETCQYMHSA-N -1 0 305.298 -0.192 20 0 DBADRM COc1c[nH]c(C(=O)NCCC(=O)NCCC(=O)[O-])cc1=O ZINC001599345879 1017594202 /nfs/dbraw/zinc/59/42/02/1017594202.db2.gz QVHFEMZWPSVZST-UHFFFAOYSA-N -1 0 311.294 -0.906 20 0 DBADRM COc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)ccn1 ZINC001599351912 1017594576 /nfs/dbraw/zinc/59/45/76/1017594576.db2.gz JYRDFAJYIDHKQS-WDEREUQCSA-N -1 0 319.317 -0.249 20 0 DBADRM COc1cc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)nn1C ZINC001599350915 1017595042 /nfs/dbraw/zinc/59/50/42/1017595042.db2.gz GRCHBWWLHHOOEB-QMMMGPOBSA-N -1 0 320.309 -0.194 20 0 DBADRM COc1cc(C(=O)[O-])ccc1CCNC(=O)N[C@@H]1COC[C@H]1O ZINC001599365858 1017595717 /nfs/dbraw/zinc/59/57/17/1017595717.db2.gz XCUYGHGUOAPQHR-VXGBXAGGSA-N -1 0 324.333 -0.005 20 0 DBADRM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CC(=O)N(C)C1 ZINC001599380856 1017595744 /nfs/dbraw/zinc/59/57/44/1017595744.db2.gz NJNLUNLVMXTKRD-NSHDSACASA-N -1 0 324.333 -0.135 20 0 DBADRM COc1cc(COCC(=O)N2CC[C@](O)(C(=O)[O-])C2)ccn1 ZINC001599416999 1017596836 /nfs/dbraw/zinc/59/68/36/1017596836.db2.gz NNYCPBFKNKIUIO-CQSZACIVSA-N -1 0 310.306 -0.345 20 0 DBADRM COc1cc(CC(=O)N[C@H](CO)C(=O)[O-])cc(OC)c1OC ZINC001599400440 1017596855 /nfs/dbraw/zinc/59/68/55/1017596855.db2.gz IUXLTAVDLIBXIF-SECBINFHSA-N -1 0 313.306 -0.183 20 0 DBADRM COc1cc(CCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])on1 ZINC001599402346 1017596933 /nfs/dbraw/zinc/59/69/33/1017596933.db2.gz GIZIMJWKWHPNLH-VIFPVBQESA-N -1 0 311.294 -0.583 20 0 DBADRM COc1cc(CC(=O)NCCC(=O)NCCC(=O)[O-])ccn1 ZINC001599401883 1017597121 /nfs/dbraw/zinc/59/71/21/1017597121.db2.gz YXHHZOXAGSUOSM-UHFFFAOYSA-N -1 0 309.322 -0.270 20 0 DBADRM COc1cc(C)c(C(=O)NCC(=O)NCC(=O)[O-])cc1OC ZINC001599390171 1017597313 /nfs/dbraw/zinc/59/73/13/1017597313.db2.gz RWQMESHTSBXXNN-UHFFFAOYSA-N -1 0 310.306 -0.057 20 0 DBADRM COc1cc(NC(=O)Cn2cnc(C(N)=O)n2)ccc1C(=O)[O-] ZINC001599434089 1017597792 /nfs/dbraw/zinc/59/77/92/1017597792.db2.gz SRQCKOQIANFPGK-UHFFFAOYSA-N -1 0 319.277 -0.278 20 0 DBADRM COc1cc(C)ccc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001599393145 1017598148 /nfs/dbraw/zinc/59/81/48/1017598148.db2.gz HNDOJARWHOLLKZ-VIFPVBQESA-N -1 0 310.306 -0.106 20 0 DBADRM COc1cc(OC)nc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)n1 ZINC001599454822 1017598994 /nfs/dbraw/zinc/59/89/94/1017598994.db2.gz DTZVSSYGMDZUPQ-CYBMUJFWSA-N -1 0 311.294 -0.143 20 0 DBADRM COc1ccc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)nn1 ZINC001599480697 1017599669 /nfs/dbraw/zinc/59/96/69/1017599669.db2.gz IWZKASZCNIOTCR-QMMMGPOBSA-N -1 0 318.293 -0.138 20 0 DBADRM COc1cc(S(=O)(=O)N[C@H](C)C(N)=O)ccc1C(=O)[O-] ZINC001599457905 1017600258 /nfs/dbraw/zinc/60/02/58/1017600258.db2.gz SZXSZDCUKOHCIY-ZCFIWIBFSA-N -1 0 302.308 -0.455 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)C(=O)NCCNC(C)=O)c1 ZINC001599486778 1017600272 /nfs/dbraw/zinc/60/02/72/1017600272.db2.gz GXGJMWPDFCQCGM-UHFFFAOYSA-N -1 0 323.305 -0.416 20 0 DBADRM COc1ccc(C(=O)[O-])cc1CN1CCN(CC(N)=O)C(=O)C1 ZINC001599499929 1017600704 /nfs/dbraw/zinc/60/07/04/1017600704.db2.gz IPOXZUBCCFDLTQ-UHFFFAOYSA-N -1 0 321.333 -0.477 20 0 DBADRM COc1ccc(CN(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])nn1 ZINC001599558892 1017602028 /nfs/dbraw/zinc/60/20/28/1017602028.db2.gz NUDWLKUMRRHZRF-WDEREUQCSA-N -1 0 308.338 -0.246 20 0 DBADRM COc1ccc(F)c(NC(=O)C(=O)NCCOCC(=O)[O-])c1 ZINC001599581933 1017602235 /nfs/dbraw/zinc/60/22/35/1017602235.db2.gz WXMNBTBJJODOPD-UHFFFAOYSA-N -1 0 314.269 -0.010 20 0 DBADRM COc1ccc([C@@H](NC(=O)[C@H]2COC(=O)N2)C(=O)[O-])cc1O ZINC001599522791 1017602821 /nfs/dbraw/zinc/60/28/21/1017602821.db2.gz KLFDXGNFEIRZOG-GMSGAONNSA-N -1 0 310.262 -0.249 20 0 DBADRM CS(=O)(=O)CC(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC001599747196 1017619007 /nfs/dbraw/zinc/61/90/07/1017619007.db2.gz JHIAHOBLBDHYQG-UHFFFAOYSA-N -1 0 307.353 -0.072 20 0 DBADRM COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001599572461 1017603532 /nfs/dbraw/zinc/60/35/32/1017603532.db2.gz MDPVUSRJMYBEPW-GHMZBOCLSA-N -1 0 320.349 -0.056 20 0 DBADRM COc1ccc(F)cc1CS(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC001599584880 1017604005 /nfs/dbraw/zinc/60/40/05/1017604005.db2.gz WLJWFOJEBRIVRJ-VIFPVBQESA-N -1 0 307.299 -0.301 20 0 DBADRM COc1ccc(C=O)cc1C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001599543020 1017604087 /nfs/dbraw/zinc/60/40/87/1017604087.db2.gz QSECCTPGEVWZAE-NSHDSACASA-N -1 0 318.289 -0.018 20 0 DBADRM COc1cccc([C@H](O)C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC001599661242 1017605044 /nfs/dbraw/zinc/60/50/44/1017605044.db2.gz ZZLTZHZJQTXSSF-AAEUAGOBSA-N -1 0 322.317 -0.470 20 0 DBADRM COc1cccc([C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC001599660355 1017605673 /nfs/dbraw/zinc/60/56/73/1017605673.db2.gz RMKQREDFGQJLME-AUTRQRHGSA-N -1 0 324.333 -0.177 20 0 DBADRM COc1ccc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001599614369 1017605689 /nfs/dbraw/zinc/60/56/89/1017605689.db2.gz RZWABPLAMHJLLA-MWLCHTKSSA-N -1 0 316.335 -0.311 20 0 DBADRM COc1cccc(C(=O)NCC(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001599642961 1017605779 /nfs/dbraw/zinc/60/57/79/1017605779.db2.gz GQULBURHNGWMGF-SNVBAGLBSA-N -1 0 310.306 -0.623 20 0 DBADRM COc1ccc(OC)c(CC(=O)OCC(=O)NCC(=O)[O-])c1 ZINC001599601670 1017605867 /nfs/dbraw/zinc/60/58/67/1017605867.db2.gz KTGUUPDJQGHAFY-UHFFFAOYSA-N -1 0 311.290 -0.010 20 0 DBADRM COc1cccc([C@H](C(=O)[O-])N2CCN(CC(N)=O)CC2)c1 ZINC001599651485 1017606230 /nfs/dbraw/zinc/60/62/30/1017606230.db2.gz UTGXOBFLNHSGRZ-CQSZACIVSA-N -1 0 307.350 -0.076 20 0 DBADRM COc1ccc(OCC(=O)N[C@H](Cn2cncn2)C(=O)[O-])cc1 ZINC001599604186 1017606821 /nfs/dbraw/zinc/60/68/21/1017606821.db2.gz FEDVURDPRYXORS-GFCCVEGCSA-N -1 0 320.305 -0.065 20 0 DBADRM COc1cccc([C@H](C(=O)[O-])N2CC(S(N)(=O)=O)C2)c1 ZINC001599648995 1017606824 /nfs/dbraw/zinc/60/68/24/1017606824.db2.gz BTHAXZCBKWDBJC-LLVKDONJSA-N -1 0 300.336 -0.206 20 0 DBADRM COc1cccc2c1OC[C@@H](NC(=O)N1CC(O)(C(=O)[O-])C1)C2 ZINC001599691807 1017608199 /nfs/dbraw/zinc/60/81/99/1017608199.db2.gz YWTLBFRKZOPBLL-JTQLQIEISA-N -1 0 322.317 -0.160 20 0 DBADRM COc1cccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001599673100 1017608502 /nfs/dbraw/zinc/60/85/02/1017608502.db2.gz OYGKWILCZKVOSC-JTQLQIEISA-N -1 0 300.336 -0.226 20 0 DBADRM COc1ccccc1C[C@H](CNC(=O)[C@@H]1CC(=O)N1)C(=O)[O-] ZINC001599706587 1017609241 /nfs/dbraw/zinc/60/92/41/1017609241.db2.gz NPXGLSZNQXELOS-MNOVXSKESA-N -1 0 306.318 -0.057 20 0 DBADRM COc1cccc([C@H](NCC(=O)N2CCNC(=O)C2)C(=O)[O-])c1 ZINC001599686149 1017609449 /nfs/dbraw/zinc/60/94/49/1017609449.db2.gz DPABCSWWOHFGSE-AWEZNQCLSA-N -1 0 321.333 -0.631 20 0 DBADRM COc1cccnc1CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC001599719640 1017609503 /nfs/dbraw/zinc/60/95/03/1017609503.db2.gz JXAAKIBIJPKUJZ-UHFFFAOYSA-N -1 0 303.340 -0.169 20 0 DBADRM COc1cnc(N(C)C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)nc1 ZINC001599724492 1017611121 /nfs/dbraw/zinc/61/11/21/1017611121.db2.gz KABAURSBYMUUNW-JTQLQIEISA-N -1 0 322.321 -0.229 20 0 DBADRM COc1cncc(S(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-])c1 ZINC001599727155 1017611198 /nfs/dbraw/zinc/61/11/98/1017611198.db2.gz KWNORTPGVFUHOG-SECBINFHSA-N -1 0 304.324 -0.407 20 0 DBADRM COc1cnc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)nc1 ZINC001599723341 1017611345 /nfs/dbraw/zinc/61/13/45/1017611345.db2.gz JYJVYINMLLGEQD-SECBINFHSA-N -1 0 309.278 -0.282 20 0 DBADRM COc1cnc(F)c(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])c1 ZINC001599724794 1017611557 /nfs/dbraw/zinc/61/15/57/1017611557.db2.gz NKJYVZIFGKWMLG-ZCFIWIBFSA-N -1 0 300.242 -0.025 20 0 DBADRM COc1nc(C(=O)NC[C@H](C)Nc2ccnc(C(=O)[O-])n2)co1 ZINC001599731176 1017612785 /nfs/dbraw/zinc/61/27/85/1017612785.db2.gz RTCLXFWSCJKAFR-ZETCQYMHSA-N -1 0 321.293 -0.176 20 0 DBADRM COc1nc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)ccc1C(=O)[O-] ZINC001599730780 1017613365 /nfs/dbraw/zinc/61/33/65/1017613365.db2.gz LVSOJEIIGLGRDM-UWVGGRQHSA-N -1 0 307.306 -0.118 20 0 DBADRM COc1cccnc1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001599732331 1017613865 /nfs/dbraw/zinc/61/38/65/1017613865.db2.gz LQBYZPTYNRQIAT-UHFFFAOYSA-N -1 0 317.305 -0.158 20 0 DBADRM COc1nccc(NC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])n1 ZINC001599734993 1017613960 /nfs/dbraw/zinc/61/39/60/1017613960.db2.gz CREMNYZZMCMQMF-QMMMGPOBSA-N -1 0 323.309 -0.318 20 0 DBADRM COc1nccc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001599735007 1017614039 /nfs/dbraw/zinc/61/40/39/1017614039.db2.gz CYTDFYUPQSAFGS-NEPJUHHUSA-N -1 0 320.349 -0.150 20 0 DBADRM COc1ncc(NC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1C(N)=O ZINC001599734099 1017614174 /nfs/dbraw/zinc/61/41/74/1017614174.db2.gz MZVOTFSDGOWEGB-MYJAWHEDSA-N -1 0 320.305 -0.017 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001599739409 1017614829 /nfs/dbraw/zinc/61/48/29/1017614829.db2.gz LTGPKWPOKCIUTQ-QMMMGPOBSA-N -1 0 310.310 -0.310 20 0 DBADRM C[S@](=N)(=O)N1CCN(Cc2cn(CC(=O)[O-])nn2)CC1 ZINC001599744193 1017614869 /nfs/dbraw/zinc/61/48/69/1017614869.db2.gz YOACJTPAMFOBBR-HXUWFJFHSA-N -1 0 302.360 -0.928 20 0 DBADRM COc1nn(C)cc1CNC(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001599739378 1017615336 /nfs/dbraw/zinc/61/53/36/1017615336.db2.gz KWDFUZJJEBPQMD-CYBMUJFWSA-N -1 0 312.326 -0.186 20 0 DBADRM CS(=O)(=O)C1(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])CC1 ZINC001599743894 1017615416 /nfs/dbraw/zinc/61/54/16/1017615416.db2.gz LROREZHRVLALOK-MRVPVSSYSA-N -1 0 301.324 -0.901 20 0 DBADRM C[S@@](=N)(=O)N1CCN(Cc2cn(CC(=O)[O-])nn2)CC1 ZINC001599744184 1017615880 /nfs/dbraw/zinc/61/58/80/1017615880.db2.gz YOACJTPAMFOBBR-FQEVSTJZSA-N -1 0 302.360 -0.928 20 0 DBADRM CSC[C@@H](CCO)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001599793693 1017634281 /nfs/dbraw/zinc/63/42/81/1017634281.db2.gz WSMGGXFLRRYMBM-MRVPVSSYSA-N -1 0 323.396 -0.640 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001599738608 1017616631 /nfs/dbraw/zinc/61/66/31/1017616631.db2.gz BSROVAILVHGYDA-QMMMGPOBSA-N -1 0 308.294 -0.343 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001599739017 1017616648 /nfs/dbraw/zinc/61/66/48/1017616648.db2.gz HDXFLJMOCFXBJE-SFYZADRCSA-N -1 0 310.310 -0.263 20 0 DBADRM CS(=O)(=O)CC(=O)N[C@H](Cc1ccccc1O)C(=O)[O-] ZINC001599747101 1017618515 /nfs/dbraw/zinc/61/85/15/1017618515.db2.gz DAIZEPMSASOJJC-SECBINFHSA-N -1 0 301.320 -0.451 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(c2cncc(C(=O)[O-])n2)CCO1 ZINC001599749662 1017618711 /nfs/dbraw/zinc/61/87/11/1017618711.db2.gz VPPMTZJHSYGKTK-QMMMGPOBSA-N -1 0 301.324 -0.575 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC001599749462 1017618833 /nfs/dbraw/zinc/61/88/33/1017618833.db2.gz RLUAHZLJNRASQZ-SECBINFHSA-N -1 0 313.397 -0.453 20 0 DBADRM CS(=O)(=O)CC(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001599747159 1017618936 /nfs/dbraw/zinc/61/89/36/1017618936.db2.gz HRDSTEHKMMLJPI-SNVBAGLBSA-N -1 0 300.336 -0.514 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCN(Cn2cc(C(=O)[O-])nn2)C1 ZINC001599749807 1017619615 /nfs/dbraw/zinc/61/96/15/1017619615.db2.gz WOPYNGDAVXAJOK-SECBINFHSA-N -1 0 302.356 -0.310 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001599749893 1017619945 /nfs/dbraw/zinc/61/99/45/1017619945.db2.gz ZOWJTPJRTILWEK-WDEREUQCSA-N -1 0 318.395 -0.572 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001599749994 1017619981 /nfs/dbraw/zinc/61/99/81/1017619981.db2.gz ZQCMHPPHSIUPQT-WGAJWPLOSA-N -1 0 317.319 -0.487 20 0 DBADRM CS(=O)(=O)CCCN1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001599750797 1017619994 /nfs/dbraw/zinc/61/99/94/1017619994.db2.gz JVQGRVOUQFVTQG-IUCAKERBSA-N -1 0 318.351 -0.452 20 0 DBADRM CS(=O)(=O)CCCC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001599750607 1017620008 /nfs/dbraw/zinc/62/00/08/1017620008.db2.gz KKDNEQVCLVVYGD-UWVGGRQHSA-N -1 0 307.368 -0.050 20 0 DBADRM CS(=O)(=O)CCCN1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599751018 1017620021 /nfs/dbraw/zinc/62/00/21/1017620021.db2.gz VYHDPTPOIKZQCI-QWRGUYRKSA-N -1 0 318.395 -0.810 20 0 DBADRM CS(=O)(=O)CCC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001599750394 1017620505 /nfs/dbraw/zinc/62/05/05/1017620505.db2.gz DQMWIHFKNOTLRW-UHFFFAOYSA-N -1 0 318.351 -0.357 20 0 DBADRM CS(=O)(=O)CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001599750434 1017620521 /nfs/dbraw/zinc/62/05/21/1017620521.db2.gz XYNSNFSGQDDDBG-VIFPVBQESA-N -1 0 303.340 -0.654 20 0 DBADRM CS(=O)(=O)CCCN1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599751017 1017620644 /nfs/dbraw/zinc/62/06/44/1017620644.db2.gz VYHDPTPOIKZQCI-MNOVXSKESA-N -1 0 318.395 -0.810 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001599749992 1017620870 /nfs/dbraw/zinc/62/08/70/1017620870.db2.gz ZQCMHPPHSIUPQT-QIUOEGRZSA-N -1 0 317.319 -0.487 20 0 DBADRM CS(=O)(=O)CC[C@H]1CCCCN1CC(=O)NCCC(=O)[O-] ZINC001599751289 1017620920 /nfs/dbraw/zinc/62/09/20/1017620920.db2.gz WPKIRASOEHHKFX-LLVKDONJSA-N -1 0 320.411 -0.134 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1 ZINC001599754319 1017622312 /nfs/dbraw/zinc/62/23/12/1017622312.db2.gz ZQUSMIHIEINILF-SNVBAGLBSA-N -1 0 318.395 -0.019 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](COC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001599754788 1017622438 /nfs/dbraw/zinc/62/24/38/1017622438.db2.gz JRGMGZOQHLMVKZ-KXUCPTDWSA-N -1 0 321.351 -0.557 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccnc(C(=O)[O-])n1 ZINC001599755159 1017622976 /nfs/dbraw/zinc/62/29/76/1017622976.db2.gz IBWXEACZHMKWNN-ZETCQYMHSA-N -1 0 314.323 -0.463 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001599756249 1017623361 /nfs/dbraw/zinc/62/33/61/1017623361.db2.gz UZNASBLVRJHQDW-NZHYYXIDSA-N -1 0 316.379 -0.364 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N2CCC(CC(=O)[O-])CC2)C1 ZINC001599754147 1017623376 /nfs/dbraw/zinc/62/33/76/1017623376.db2.gz SIYKHLAWECNUJV-UHFFFAOYSA-N -1 0 304.368 -0.409 20 0 DBADRM CS(=O)(=O)N1CCC(CC(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001599756068 1017623479 /nfs/dbraw/zinc/62/34/79/1017623479.db2.gz ZXTFOODXAUJEIZ-GHMZBOCLSA-N -1 0 318.395 -0.115 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)CCSCC(=O)[O-])CC1 ZINC001599755308 1017623500 /nfs/dbraw/zinc/62/35/00/1017623500.db2.gz FPJWCZZWYUGCNG-UHFFFAOYSA-N -1 0 324.424 -0.266 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])C1 ZINC001599754027 1017623501 /nfs/dbraw/zinc/62/35/01/1017623501.db2.gz NEWJRODWPTXLOO-SECBINFHSA-N -1 0 304.368 -0.505 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)NCc2ccc(C(=O)[O-])s2)C1 ZINC001599753865 1017623520 /nfs/dbraw/zinc/62/35/20/1017623520.db2.gz JGRRZQIHTKAWMN-UHFFFAOYSA-N -1 0 318.376 -0.046 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC001599757413 1017624927 /nfs/dbraw/zinc/62/49/27/1017624927.db2.gz QFKGHHJKOWGSGP-UEJVZZJDSA-N -1 0 305.356 -0.817 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1 ZINC001599758680 1017625273 /nfs/dbraw/zinc/62/52/73/1017625273.db2.gz UMXSLNBPCDCMKV-SECBINFHSA-N -1 0 319.383 -0.570 20 0 DBADRM CS(=O)(=O)NCC1CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC001599759462 1017626713 /nfs/dbraw/zinc/62/67/13/1017626713.db2.gz VIHLYMDSCNAHLI-UHFFFAOYSA-N -1 0 314.367 -0.060 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1ncccc1N)C(=O)[O-] ZINC001599764470 1017628836 /nfs/dbraw/zinc/62/88/36/1017628836.db2.gz JZKRLGXWDOBYLI-QPUJVOFHSA-N -1 0 313.335 -0.719 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)CC(=O)[O-])s1 ZINC001599768505 1017629134 /nfs/dbraw/zinc/62/91/34/1017629134.db2.gz NBPCHMGWDJPNDN-LURJTMIESA-N -1 0 307.349 -0.283 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])co1 ZINC001599764552 1017629529 /nfs/dbraw/zinc/62/95/29/1017629529.db2.gz YGRPWAGMSKTZAY-WCBMZHEXSA-N -1 0 317.319 -0.267 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)co1 ZINC001599764506 1017629732 /nfs/dbraw/zinc/62/97/32/1017629732.db2.gz XGHKKFVVAZHHRM-IONNQARKSA-N -1 0 317.319 -0.409 20 0 DBADRM CS(=O)(=O)c1ccc(/C=C\C(=O)NC[C@@H](O)CC(=O)[O-])o1 ZINC001599769854 1017629938 /nfs/dbraw/zinc/62/99/38/1017629938.db2.gz DVSVZRMANYEBNE-LTMVXPGCSA-N -1 0 317.319 -0.352 20 0 DBADRM CS[C@@H](C)CNC(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599784049 1017631882 /nfs/dbraw/zinc/63/18/82/1017631882.db2.gz JFNSUFMFPDOXDL-DJLDLDEBSA-N -1 0 304.368 -0.540 20 0 DBADRM CS[C@H](C)CNC(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599784050 1017631793 /nfs/dbraw/zinc/63/17/93/1017631793.db2.gz JFNSUFMFPDOXDL-IWSPIJDZSA-N -1 0 304.368 -0.540 20 0 DBADRM CS(=O)(=O)c1nnc(CN2CCSC[C@H]2C(=O)[O-])s1 ZINC001599775868 1017631979 /nfs/dbraw/zinc/63/19/79/1017631979.db2.gz TURFDPHJKUWAQL-LURJTMIESA-N -1 0 323.421 -0.056 20 0 DBADRM C[S@@](=O)C1(CN2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)CC1 ZINC001599775377 1017632480 /nfs/dbraw/zinc/63/24/80/1017632480.db2.gz LNIUAOULQXDFMH-YRHDPQFZSA-N -1 0 300.336 -0.461 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001599777640 1017632533 /nfs/dbraw/zinc/63/25/33/1017632533.db2.gz XLCVJADTQDASOU-FPVGNUTFSA-N -1 0 316.379 -0.806 20 0 DBADRM CSC[C@@H](C)NC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599792943 1017633702 /nfs/dbraw/zinc/63/37/02/1017633702.db2.gz ROMDBPYBZPZHBZ-PSASIEDQSA-N -1 0 318.395 -0.462 20 0 DBADRM CSCCCNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001599799566 1017633721 /nfs/dbraw/zinc/63/37/21/1017633721.db2.gz FBPYSJUWYQLJIG-IUCAKERBSA-N -1 0 304.368 -0.850 20 0 DBADRM CSc1nc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n[nH]1 ZINC001599829025 1017634159 /nfs/dbraw/zinc/63/41/59/1017634159.db2.gz KZLSGFPXLMEAFU-LURJTMIESA-N -1 0 313.339 -0.212 20 0 DBADRM CSC[C@H](CCO)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001599792964 1017634666 /nfs/dbraw/zinc/63/46/66/1017634666.db2.gz SZEWMTAWXFGPKE-VHSXEESVSA-N -1 0 318.395 -0.460 20 0 DBADRM CS[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001599790026 1017635092 /nfs/dbraw/zinc/63/50/92/1017635092.db2.gz AYYHJROLWNKRPD-BBBLOLIVSA-N -1 0 316.379 -0.349 20 0 DBADRM C[C@@H](CO)N(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001599836149 1017636319 /nfs/dbraw/zinc/63/63/19/1017636319.db2.gz BMTXKEPYFOCWKV-CABZTGNLSA-N -1 0 322.317 -0.296 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2)C(=O)[O-] ZINC001599842470 1017636410 /nfs/dbraw/zinc/63/64/10/1017636410.db2.gz HEWHEXPFPSSZJM-SSDOTTSWSA-N -1 0 319.360 -0.134 20 0 DBADRM C[C@@H](NC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O)C(=O)[O-] ZINC001599837648 1017636564 /nfs/dbraw/zinc/63/65/64/1017636564.db2.gz LDBHANNGZPWLLY-PSLIRLAXSA-N -1 0 306.318 -0.017 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)CCn1ccnn1 ZINC001599836839 1017636821 /nfs/dbraw/zinc/63/68/21/1017636821.db2.gz WYYIKWKYKUQKPD-VIFPVBQESA-N -1 0 319.325 -0.227 20 0 DBADRM C[C@@H](NC(=O)N1CCSC[C@H](C(=O)[O-])C1)C(=O)N(C)C ZINC001599838272 1017637109 /nfs/dbraw/zinc/63/71/09/1017637109.db2.gz BIFXSHPISGUHJS-RKDXNWHRSA-N -1 0 303.384 -0.078 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)c1cnc[nH]c1=O ZINC001599836586 1017637335 /nfs/dbraw/zinc/63/73/35/1017637335.db2.gz NTEGDAWTCHAGIP-ZETCQYMHSA-N -1 0 318.293 -0.099 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1ccnnc1 ZINC001599836608 1017637462 /nfs/dbraw/zinc/63/74/62/1017637462.db2.gz OTFDIPPBIDHDDA-QMMMGPOBSA-N -1 0 302.294 -0.383 20 0 DBADRM C[C@@H](CNC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])[NH+](C)C ZINC001599837060 1017637466 /nfs/dbraw/zinc/63/74/66/1017637466.db2.gz YKNJKZPFELSCCM-GUBZILKMSA-N -1 0 301.343 -0.104 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)[O-])CC1 ZINC001599843890 1017639031 /nfs/dbraw/zinc/63/90/31/1017639031.db2.gz QMOCZGMZEFSFAX-SFYZADRCSA-N -1 0 302.327 -0.006 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC001599843338 1017639230 /nfs/dbraw/zinc/63/92/30/1017639230.db2.gz BRCPHLCYGQSLRV-PELKAZGASA-N -1 0 305.294 -0.845 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2nccn2C)C[C@H]1CC(=O)[O-] ZINC001599848174 1017641705 /nfs/dbraw/zinc/64/17/05/1017641705.db2.gz SLLSZGNPWDSEIG-GHMZBOCLSA-N -1 0 322.365 -0.052 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CCOC3)C2)C[C@H]1C(=O)[O-] ZINC001599850024 1017641777 /nfs/dbraw/zinc/64/17/77/1017641777.db2.gz UWUMFGQDDKLEHW-UEKVPHQBSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CCOC3)C2)C[C@H]1C(=O)[O-] ZINC001599850023 1017641826 /nfs/dbraw/zinc/64/18/26/1017641826.db2.gz UWUMFGQDDKLEHW-HFAKWTLXSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)C[C@@H](C(=O)[O-])O1 ZINC001599854471 1017643101 /nfs/dbraw/zinc/64/31/01/1017643101.db2.gz XKVDUIOITGGIRW-ZHAHWJHGSA-N -1 0 322.321 -0.386 20 0 DBADRM C[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@@H](C(=O)[O-])O1 ZINC001599855225 1017643571 /nfs/dbraw/zinc/64/35/71/1017643571.db2.gz NAFHQQDZPPGDDG-BDAKNGLRSA-N -1 0 305.294 -0.633 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)CC2)C[C@H]1CC(=O)[O-] ZINC001599850672 1017643673 /nfs/dbraw/zinc/64/36/73/1017643673.db2.gz OWESZKNQZWELAW-VXGBXAGGSA-N -1 0 323.393 -0.138 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCOCC(F)F)C[C@H]1CC(=O)[O-] ZINC001599850534 1017643780 /nfs/dbraw/zinc/64/37/80/1017643780.db2.gz UQIFTOQGSARBIF-RKDXNWHRSA-N -1 0 322.308 -0.047 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001599851432 1017644240 /nfs/dbraw/zinc/64/42/40/1017644240.db2.gz VXHWVRNDANWQQE-VWYCJHECSA-N -1 0 314.338 -0.628 20 0 DBADRM C[C@@H]1CN(C(=O)CCCCCS(N)(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC001599853400 1017644420 /nfs/dbraw/zinc/64/44/20/1017644420.db2.gz QEFVVLBNBQYEGT-ZJUUUORDSA-N -1 0 322.383 -0.464 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cnns2)C[C@@H](C(=O)[O-])O1 ZINC001599851881 1017644470 /nfs/dbraw/zinc/64/44/70/1017644470.db2.gz VKJLBTRZUTYBGT-RITPCOANSA-N -1 0 300.296 -0.823 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2ccccn2)C[C@@H](C(=O)[O-])O1 ZINC001599850487 1017644492 /nfs/dbraw/zinc/64/44/92/1017644492.db2.gz REJAZQGDDAQNKH-KOLCDFICSA-N -1 0 307.306 -0.602 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCN2CCOC2=O)C[C@@H](C(=O)[O-])O1 ZINC001599858885 1017645798 /nfs/dbraw/zinc/64/57/98/1017645798.db2.gz XYRJQPPLRFTEAX-ZJUUUORDSA-N -1 0 315.326 -0.288 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C[C@@H](C(=O)[O-])O1 ZINC001599857643 1017645822 /nfs/dbraw/zinc/64/58/22/1017645822.db2.gz NYPQNRAMMCXBNF-KKZNHRDASA-N -1 0 311.338 -0.367 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)C[C@H]1CC(=O)[O-] ZINC001599855903 1017645887 /nfs/dbraw/zinc/64/58/87/1017645887.db2.gz MEOANJRFEWAEFU-HLTSFMKQSA-N -1 0 312.326 -0.631 20 0 DBADRM C[C@@H]1CN(C(=O)NCCN2C(=O)CCC2=O)C[C@H]1CC(=O)[O-] ZINC001599858599 1017646086 /nfs/dbraw/zinc/64/60/86/1017646086.db2.gz MFNXVBSDVFAODK-NXEZZACHSA-N -1 0 311.338 -0.112 20 0 DBADRM C[C@@H]1CN(c2nnnn2C[C@]2(C)CCCO2)C[C@@H](C(=O)[O-])O1 ZINC001599872240 1017647702 /nfs/dbraw/zinc/64/77/02/1017647702.db2.gz SVBXNNGYLXPGQF-NRUUGDAUSA-N -1 0 311.342 -0.080 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC(CN3CCOCC3)C2)O[C@H]1C(=O)[O-] ZINC001599872207 1017648700 /nfs/dbraw/zinc/64/87/00/1017648700.db2.gz OJFGLUJOBQNUIV-RAIGVLPGSA-N -1 0 312.366 -0.345 20 0 DBADRM C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)NC3)n2C)C[C@H]1C(=O)[O-] ZINC001599869725 1017648734 /nfs/dbraw/zinc/64/87/34/1017648734.db2.gz GPUIWGBEQJTKQS-OPRDCNLKSA-N -1 0 307.354 -0.034 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001599871624 1017648867 /nfs/dbraw/zinc/64/88/67/1017648867.db2.gz IOOOWIRUAYLQIB-APPZFPTMSA-N -1 0 301.324 -0.869 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)C[C@@H]2CN(C)CCO2)C[C@H]1C(=O)[O-] ZINC001599867863 1017648874 /nfs/dbraw/zinc/64/88/74/1017648874.db2.gz YEVCYUCAQWGEJD-OUAUKWLOSA-N -1 0 306.384 -0.701 20 0 DBADRM C[C@@H]1CN(c2nnnn2[C@H]2CC(=O)N(C)C2)C[C@H]1CC(=O)[O-] ZINC001599873066 1017650148 /nfs/dbraw/zinc/65/01/48/1017650148.db2.gz WAWMOSGWIYJYQB-BBBLOLIVSA-N -1 0 308.342 -0.377 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCC2(S(N)(=O)=O)CCC2)O[C@H]1C(=O)[O-] ZINC001599874512 1017650471 /nfs/dbraw/zinc/65/04/71/1017650471.db2.gz FTGCTHITOOPXIK-IWSPIJDZSA-N -1 0 320.367 -0.808 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCO[C@H](c3ncon3)C2)O[C@H]1C(=O)[O-] ZINC001599874204 1017650966 /nfs/dbraw/zinc/65/09/66/1017650966.db2.gz VQCJESCAPPLKGL-DOLQZWNJSA-N -1 0 311.294 -0.152 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cnon2)CCN1c1ncc(C(=O)[O-])cn1 ZINC001599881686 1017652100 /nfs/dbraw/zinc/65/21/00/1017652100.db2.gz VPNFSAGUSIBFIN-APPZFPTMSA-N -1 0 318.293 -0.045 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001599880740 1017652157 /nfs/dbraw/zinc/65/21/57/1017652157.db2.gz CTUHBSVVXBWQEK-XDMRBOTDSA-N -1 0 320.349 -0.112 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1COC(=O)N1 ZINC001599891325 1017652433 /nfs/dbraw/zinc/65/24/33/1017652433.db2.gz LAEDCYMPZBPLSI-HTRCEHHLSA-N -1 0 309.282 -0.800 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001599887744 1017652550 /nfs/dbraw/zinc/65/25/50/1017652550.db2.gz VNQCVSJPOXZFAP-NZXMKCKXSA-N -1 0 307.306 -0.063 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1nc(N)nc(N(C)C)n1 ZINC001599878047 1017652723 /nfs/dbraw/zinc/65/27/23/1017652723.db2.gz BPOSFMLFGTWKGU-HTQZYQBOSA-N -1 0 308.342 -0.155 20 0 DBADRM C[C@@H]1[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1(F)F ZINC001599882202 1017652892 /nfs/dbraw/zinc/65/28/92/1017652892.db2.gz LVUDDYHQHIAIPS-FJXKBIBVSA-N -1 0 311.306 -0.012 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1COC(=O)N1 ZINC001599891327 1017653042 /nfs/dbraw/zinc/65/30/42/1017653042.db2.gz LAEDCYMPZBPLSI-SVRRBLITSA-N -1 0 309.282 -0.800 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)COc1cccc(C=O)c1)C(=O)[O-] ZINC001599896602 1017654259 /nfs/dbraw/zinc/65/42/59/1017654259.db2.gz YGJWNNNZVYAFHF-UWVGGRQHSA-N -1 0 322.317 -0.028 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC001599891662 1017654501 /nfs/dbraw/zinc/65/45/01/1017654501.db2.gz TUAUJUHSTRFCPP-NSHDSACASA-N -1 0 305.334 -0.076 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1CCn2ccnc2C1)C(=O)[O-] ZINC001599895935 1017654547 /nfs/dbraw/zinc/65/45/47/1017654547.db2.gz DJPDWEPOSDGEFF-LPEHRKFASA-N -1 0 323.353 -0.525 20 0 DBADRM C[C@H](Cc1cn(C)nn1)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001599891800 1017654586 /nfs/dbraw/zinc/65/45/86/1017654586.db2.gz CMWHCHPRKFNQNG-SSDOTTSWSA-N -1 0 313.339 -0.249 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1C[C@@H]2[C@H](O)CC[C@@H]2C1)C(=O)[O-] ZINC001599895936 1017654877 /nfs/dbraw/zinc/65/48/77/1017654877.db2.gz DKHUGQOZBUXYOD-QUARPLMYSA-N -1 0 313.354 -0.624 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CCCCN(C)C1=O)C(=O)[O-] ZINC001599895069 1017654823 /nfs/dbraw/zinc/65/48/23/1017654823.db2.gz FOAJCXGPGWOYGM-LPEHRKFASA-N -1 0 313.354 -0.661 20 0 DBADRM C[C@H](CO)N(C)C(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001599892101 1017654917 /nfs/dbraw/zinc/65/49/17/1017654917.db2.gz XKMZYNMDNSHRGI-SSDOTTSWSA-N -1 0 324.289 -0.109 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)C[C@H]1CCOC1 ZINC001599892129 1017655455 /nfs/dbraw/zinc/65/54/55/1017655455.db2.gz XXJYDCDONUFJCD-NXEZZACHSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)C1CN(CC(F)F)C1)C(=O)[O-] ZINC001599895065 1017655605 /nfs/dbraw/zinc/65/56/05/1017655605.db2.gz FNESDBTYGGDTQP-BQBZGAKWSA-N -1 0 307.297 -0.723 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]1CCO)C(=O)[O-] ZINC001599897340 1017657312 /nfs/dbraw/zinc/65/73/12/1017657312.db2.gz YVEZCROZAXPBRJ-UKKRHICBSA-N -1 0 315.370 -0.186 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001599902914 1017658048 /nfs/dbraw/zinc/65/80/48/1017658048.db2.gz PXOBTRPPGXYHOZ-IUCAKERBSA-N -1 0 321.293 -0.741 20 0 DBADRM C[C@H](OC(=O)CN(C)S(=O)(=O)c1cccnc1)C(=O)[O-] ZINC001599904535 1017659514 /nfs/dbraw/zinc/65/95/14/1017659514.db2.gz RUNPVJGKCRCPKC-QMMMGPOBSA-N -1 0 302.308 -0.282 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)[O-] ZINC001599900354 1017659725 /nfs/dbraw/zinc/65/97/25/1017659725.db2.gz LXCISWROSZLCTK-GUBZILKMSA-N -1 0 322.383 -0.690 20 0 DBADRM C[C@H](NC(=O)c1cn(CCO)nc1C1CCOCC1)C(=O)[O-] ZINC001599902953 1017659767 /nfs/dbraw/zinc/65/97/67/1017659767.db2.gz SLLOWASDXKBNFK-VIFPVBQESA-N -1 0 311.338 -0.028 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@]23CCOC3)C[C@]1(C)C(=O)[O-] ZINC001599909994 1017661098 /nfs/dbraw/zinc/66/10/98/1017661098.db2.gz FTZGRPQJVKRBAX-LKTVYLICSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CO)C2)C[C@]1(C)C(=O)[O-] ZINC001599910548 1017661162 /nfs/dbraw/zinc/66/11/62/1017661162.db2.gz YZVASNPLHXVRPL-PGUXBMHVSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)C[C@]1(C)C(=O)[O-] ZINC001599910625 1017661224 /nfs/dbraw/zinc/66/12/24/1017661224.db2.gz AWNKDAIMFDVLHZ-ZEMPRUGVSA-N -1 0 324.377 -0.073 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC(CO)CC2)C[C@]1(C)C(=O)[O-] ZINC001599910145 1017661440 /nfs/dbraw/zinc/66/14/40/1017661440.db2.gz LPSOXQVWWPIQSI-BONVTDFDSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2cnn(C)c2)C[C@@H](C(=O)[O-])O1 ZINC001599908940 1017661475 /nfs/dbraw/zinc/66/14/75/1017661475.db2.gz GKSYGRCQDVCARK-ONGXEEELSA-N -1 0 324.337 -0.921 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC(F)(F)C2)C[C@@H](C(=O)[O-])O1 ZINC001599910313 1017661537 /nfs/dbraw/zinc/66/15/37/1017661537.db2.gz QVEWKAKTVQCDIG-YUMQZZPRSA-N -1 0 306.265 -0.446 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1 ZINC001599909343 1017661725 /nfs/dbraw/zinc/66/17/25/1017661725.db2.gz XSNKVXNLXVCGDZ-DDHJBXDOSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599912872 1017662863 /nfs/dbraw/zinc/66/28/63/1017662863.db2.gz OIWPIXFWMLPAEH-XHNCKOQMSA-N -1 0 301.343 -0.230 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)C[C@]1(C)C(=O)[O-] ZINC001599911343 1017663239 /nfs/dbraw/zinc/66/32/39/1017663239.db2.gz ZXNDXSIRHPMBGL-ZVXAKGHKSA-N -1 0 310.350 -0.340 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2ccnn2C)C[C@]1(C)C(=O)[O-] ZINC001599911786 1017663439 /nfs/dbraw/zinc/66/34/39/1017663439.db2.gz JJVVSHMWGALSPE-XPTSAGLGSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C[C@]1(C)C(=O)[O-] ZINC001599913379 1017663643 /nfs/dbraw/zinc/66/36/43/1017663643.db2.gz RJZGQGYXRMFAJN-CWSCBRNRSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001599911217 1017663789 /nfs/dbraw/zinc/66/37/89/1017663789.db2.gz VXHWVRNDANWQQE-AXFHLTTASA-N -1 0 314.338 -0.628 20 0 DBADRM C[C@H]1CN(C(=O)C2(CS(C)(=O)=O)COC2)C[C@]1(C)C(=O)[O-] ZINC001599915260 1017663852 /nfs/dbraw/zinc/66/38/52/1017663852.db2.gz TUKVFNHUDKQEDJ-CABZTGNLSA-N -1 0 319.379 -0.383 20 0 DBADRM C[C@H]1CN(C(=O)NCc2nnnn2CC2CC2)C[C@@H](C(=O)[O-])O1 ZINC001599921865 1017664771 /nfs/dbraw/zinc/66/47/71/1017664771.db2.gz XYUVFLHFDBPVNV-WPRPVWTQSA-N -1 0 324.341 -0.533 20 0 DBADRM C[C@H]1CN(C(=O)c2ccccc2OCC(N)=O)C[C@@H](C(=O)[O-])O1 ZINC001599925573 1017664815 /nfs/dbraw/zinc/66/48/15/1017664815.db2.gz WDMNTHDSKKHABD-CABZTGNLSA-N -1 0 322.317 -0.135 20 0 DBADRM C[C@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@@H](C(=O)[O-])O1 ZINC001599926546 1017665001 /nfs/dbraw/zinc/66/50/01/1017665001.db2.gz CZZYGLOTTLJCKH-XPUUQOCRSA-N -1 0 318.307 -0.759 20 0 DBADRM C[C@H]1CN([C@@H]2CCCN(CCC(=O)[O-])C2=O)CCS1(=O)=O ZINC001599927366 1017665115 /nfs/dbraw/zinc/66/51/15/1017665115.db2.gz SPDFFIAQZRGVHW-WDEREUQCSA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)CC[C@H]1C(=O)[O-] ZINC001599919535 1017665332 /nfs/dbraw/zinc/66/53/32/1017665332.db2.gz JXBHFSVTOMPWLZ-XHNCKOQMSA-N -1 0 312.326 -0.631 20 0 DBADRM C[C@H]1CN(C(=O)NC2CCC(C(N)=O)CC2)C[C@@H](C(=O)[O-])O1 ZINC001599918510 1017665374 /nfs/dbraw/zinc/66/53/74/1017665374.db2.gz OHXWJRRFLBSDKZ-PMUOWJKOSA-N -1 0 313.354 -0.086 20 0 DBADRM C[C@H]1CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001599918305 1017665692 /nfs/dbraw/zinc/66/56/92/1017665692.db2.gz LCWRETHUAIKMIN-GUBZILKMSA-N -1 0 320.367 -0.553 20 0 DBADRM C[C@H]1CN(C(=O)NCCCN2CCCC2=O)C[C@@H](C(=O)[O-])O1 ZINC001599920573 1017665795 /nfs/dbraw/zinc/66/57/95/1017665795.db2.gz LVIITJNHUAJNSP-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)C[C@H](C)N1CCO ZINC001599923778 1017666035 /nfs/dbraw/zinc/66/60/35/1017666035.db2.gz ACCDFZCCHAUYMI-AOOOYVTPSA-N -1 0 310.354 -0.355 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)C[C@@H](C(=O)[O-])O1 ZINC001599919578 1017666352 /nfs/dbraw/zinc/66/63/52/1017666352.db2.gz AEKUIDZLNHUCFV-KNZXXDILSA-N -1 0 314.338 -0.326 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2CCCS2(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC001599919776 1017666444 /nfs/dbraw/zinc/66/64/44/1017666444.db2.gz LKULOQVRCNVCSQ-AEJSXWLSSA-N -1 0 320.367 -0.553 20 0 DBADRM C[C@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1 ZINC001599933984 1017667944 /nfs/dbraw/zinc/66/79/44/1017667944.db2.gz RDJDEEYQJPPVES-TXWLSFLZSA-N -1 0 324.377 -0.169 20 0 DBADRM C[C@H]1CN(CC(=O)NCC(=O)NC(C)(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599927836 1017668111 /nfs/dbraw/zinc/66/81/11/1017668111.db2.gz KLCPOHRQPHTQJI-UWVGGRQHSA-N -1 0 315.370 -0.809 20 0 DBADRM C[C@H]1CN(CC2(O)CCS(=O)(=O)CC2)C[C@@H](C(=O)[O-])O1 ZINC001599928521 1017668603 /nfs/dbraw/zinc/66/86/03/1017668603.db2.gz CJMWJFUQCRHZTF-UWVGGRQHSA-N -1 0 307.368 -0.900 20 0 DBADRM C[C@H]1CN(CN2C[C@@H](c3cncn3C)CC2=O)C[C@@H](C(=O)[O-])O1 ZINC001599928815 1017668804 /nfs/dbraw/zinc/66/88/04/1017668804.db2.gz YDIYRXGRAJHJPM-GVXVVHGQSA-N -1 0 322.365 -0.133 20 0 DBADRM C[C@H]1OCCO[C@H]1C(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001599936596 1017668820 /nfs/dbraw/zinc/66/88/20/1017668820.db2.gz XWXROOGXEPDMIG-FXPVBKGRSA-N -1 0 303.311 -0.487 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CCN2CCOC2=O)C[C@]1(C)C(=O)[O-] ZINC001599930669 1017668910 /nfs/dbraw/zinc/66/89/10/1017668910.db2.gz QKNPTMLWNMFDQB-CABZTGNLSA-N -1 0 320.367 -0.189 20 0 DBADRM C[C@H]1CN(c2nnnn2[C@@H]2C[C@@H]3CC[C@H]2O3)C[C@@H](C(=O)[O-])O1 ZINC001599932896 1017668944 /nfs/dbraw/zinc/66/89/44/1017668944.db2.gz XAHXZUBBTROBEK-DAWVFNFOSA-N -1 0 309.326 -0.156 20 0 DBADRM C[C@H]1CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)C[C@@H](C(=O)[O-])O1 ZINC001599931006 1017668964 /nfs/dbraw/zinc/66/89/64/1017668964.db2.gz WWQYGNVNAKUOHA-HHKYUTTNSA-N -1 0 305.352 -0.190 20 0 DBADRM C[C@H]1CN(c2nnnn2CCOC2CCC2)C[C@@H](C(=O)[O-])O1 ZINC001599932950 1017669046 /nfs/dbraw/zinc/66/90/46/1017669046.db2.gz FBJFVHDSIZBQQW-ONGXEEELSA-N -1 0 311.342 -0.080 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@H](C)N1CCO ZINC001599930986 1017669383 /nfs/dbraw/zinc/66/93/83/1017669383.db2.gz TZAXQXVLAIGVNO-PHIMTYICSA-N -1 0 323.415 -0.975 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCC(=O)NCC12COC2 ZINC001599961181 1017670451 /nfs/dbraw/zinc/67/04/51/1017670451.db2.gz XPYCRDLXBNACBS-UHFFFAOYSA-N -1 0 321.333 -0.205 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001599966531 1017670985 /nfs/dbraw/zinc/67/09/85/1017670985.db2.gz BPJRJUAVSCHQLJ-AWEZNQCLSA-N -1 0 322.296 -0.101 20 0 DBADRM Cc1nc[nH]c1C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001599967321 1017671537 /nfs/dbraw/zinc/67/15/37/1017671537.db2.gz CBTYMRAXZJJAMM-DTWKUNHWSA-N -1 0 306.322 -0.183 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N(C)CCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599940805 1017671687 /nfs/dbraw/zinc/67/16/87/1017671687.db2.gz SVURQHFTURLWIH-DTWKUNHWSA-N -1 0 324.337 -0.325 20 0 DBADRM Cc1[nH]c(C(=O)NCCCNS(C)(=O)=O)c(C)c1C(=O)[O-] ZINC001599953677 1017671990 /nfs/dbraw/zinc/67/19/90/1017671990.db2.gz XNSZSCLTOIPJIY-UHFFFAOYSA-N -1 0 317.367 -0.001 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C)C1CS(=O)(=O)C1 ZINC001599957741 1017672484 /nfs/dbraw/zinc/67/24/84/1017672484.db2.gz XUEBACRIMJEHBE-UHFFFAOYSA-N -1 0 300.336 -0.067 20 0 DBADRM Cc1c(C(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nnn1C ZINC001599974983 1017673446 /nfs/dbraw/zinc/67/34/46/1017673446.db2.gz DLCNKMHYNSRQHF-ZJUUUORDSA-N -1 0 321.337 -0.968 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599968081 1017674206 /nfs/dbraw/zinc/67/42/06/1017674206.db2.gz JXCVQCUTJZUQEF-XWLWVQCSSA-N -1 0 320.349 -0.255 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001599968079 1017674493 /nfs/dbraw/zinc/67/44/93/1017674493.db2.gz JXCVQCUTJZUQEF-GWOFURMSSA-N -1 0 320.349 -0.255 20 0 DBADRM Cc1nc[nH]c1CC(=O)N(C)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001599968447 1017675083 /nfs/dbraw/zinc/67/50/83/1017675083.db2.gz UVICAMFHVXGTJI-UWVGGRQHSA-N -1 0 308.338 -0.444 20 0 DBADRM Cc1c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nnn1C ZINC001599983282 1017676089 /nfs/dbraw/zinc/67/60/89/1017676089.db2.gz IULSXJBUPQQWFX-ZYUZMQFOSA-N -1 0 321.337 -0.779 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)[C@@H]2CN(C)C(=O)CN2)n1C ZINC001599989085 1017676310 /nfs/dbraw/zinc/67/63/10/1017676310.db2.gz MSVXFSKFNQIJKK-NSHDSACASA-N -1 0 308.338 -0.922 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)C(=O)NC[C@@H]2CCOC2)n1C ZINC001599986926 1017676443 /nfs/dbraw/zinc/67/64/43/1017676443.db2.gz DYDOWFXDTINAAA-JTQLQIEISA-N -1 0 323.349 -0.199 20 0 DBADRM Cc1c(C(=O)NCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])nnn1C ZINC001599980903 1017676647 /nfs/dbraw/zinc/67/66/47/1017676647.db2.gz ZEVGWVULUKIYDG-BDAKNGLRSA-N -1 0 309.326 -0.968 20 0 DBADRM Cc1c(C(=O)NCCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])cnn1C ZINC001599980439 1017677059 /nfs/dbraw/zinc/67/70/59/1017677059.db2.gz MBXSGWFLJWHJJA-VHSXEESVSA-N -1 0 308.338 -0.315 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@@H]2CCOC2)cnn1CC(=O)[O-] ZINC001600026021 1017678087 /nfs/dbraw/zinc/67/80/87/1017678087.db2.gz FTSUAHCSNKCVTQ-VIFPVBQESA-N -1 0 310.310 -0.633 20 0 DBADRM Cc1c(NC(=O)C(=O)N(C)C[C@@H]2CCOC2)cnn1CC(=O)[O-] ZINC001600025024 1017678836 /nfs/dbraw/zinc/67/88/36/1017678836.db2.gz QVOPVIONLBKONV-JTQLQIEISA-N -1 0 324.337 -0.290 20 0 DBADRM Cc1c(NC(=O)CN2CCC(CO)CC2)cnn1CC(=O)[O-] ZINC001600033454 1017679900 /nfs/dbraw/zinc/67/99/00/1017679900.db2.gz KTYDRIZGVXJVRG-UHFFFAOYSA-N -1 0 310.354 -0.081 20 0 DBADRM Cc1c(NC(=O)[C@@H](C)N2CCN(C)CC2)cnn1CC(=O)[O-] ZINC001600031196 1017680061 /nfs/dbraw/zinc/68/00/61/1017680061.db2.gz SFWXHSSGCNFLGR-LLVKDONJSA-N -1 0 309.370 -0.149 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@]2(C)CCOC2=O)cnn1CC(=O)[O-] ZINC001600028909 1017680303 /nfs/dbraw/zinc/68/03/03/1017680303.db2.gz UJOXAAGOKXUPEQ-ZDUSSCGKSA-N -1 0 324.293 -0.964 20 0 DBADRM Cc1cc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])n(C)n1 ZINC001600078132 1017681744 /nfs/dbraw/zinc/68/17/44/1017681744.db2.gz FKRVRXFGHSNFJU-MNOVXSKESA-N -1 0 322.365 -0.020 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001600060181 1017681846 /nfs/dbraw/zinc/68/18/46/1017681846.db2.gz KPDMUAGZLDSEHD-PRHODGIISA-N -1 0 309.322 -0.430 20 0 DBADRM Cc1c[nH]c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600060795 1017682562 /nfs/dbraw/zinc/68/25/62/1017682562.db2.gz PMFVLRWFIXFXSI-LADJIXMOSA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1cc(C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cnn1 ZINC001600093156 1017683991 /nfs/dbraw/zinc/68/39/91/1017683991.db2.gz IROIDBIGFSPPNA-WDEREUQCSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](O)CC(=O)[O-])c2c(=O)[nH]n(C)c2n1 ZINC001600091995 1017684265 /nfs/dbraw/zinc/68/42/65/1017684265.db2.gz MFDGUXQJYDTCLO-ZETCQYMHSA-N -1 0 308.294 -0.452 20 0 DBADRM Cc1cc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)c(C)n1NC(N)=O ZINC001600081830 1017684343 /nfs/dbraw/zinc/68/43/43/1017684343.db2.gz YCUHAXZQLYYDRG-ZDUSSCGKSA-N -1 0 310.310 -0.611 20 0 DBADRM Cc1cc(C(=O)N[C@@H](CF)C(=O)[O-])ccc1S(N)(=O)=O ZINC001600090525 1017684386 /nfs/dbraw/zinc/68/43/86/1017684386.db2.gz PSOQGCFQCZXZLN-QMMMGPOBSA-N -1 0 304.299 -0.205 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCCN(CC(N)=O)C2)oc1C(=O)[O-] ZINC001600090224 1017684394 /nfs/dbraw/zinc/68/43/94/1017684394.db2.gz CRQJOCHIDKNITH-SECBINFHSA-N -1 0 309.322 -0.034 20 0 DBADRM Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)ncn1 ZINC001600081500 1017684470 /nfs/dbraw/zinc/68/44/70/1017684470.db2.gz WKDTZEAFLUWUHO-ZJUUUORDSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1cc(C(=O)NCC[C@H](O)C(=O)[O-])ccc1S(N)(=O)=O ZINC001600092780 1017684514 /nfs/dbraw/zinc/68/45/14/1017684514.db2.gz ADWMSDUHQHSHBL-VIFPVBQESA-N -1 0 316.335 -0.792 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)ncn1 ZINC001600097207 1017685140 /nfs/dbraw/zinc/68/51/40/1017685140.db2.gz YQCFEQFPXGUBET-LMLFDSFASA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NC[C@]1(O)CCOC1 ZINC001600117919 1017685201 /nfs/dbraw/zinc/68/52/01/1017685201.db2.gz UOGLENKMHXEHPS-OAHLLOKOSA-N -1 0 322.317 -0.101 20 0 DBADRM Cc1cc(C(=O)O[C@@H](C)C(=O)C(=O)[O-])ccc1S(N)(=O)=O ZINC001600134233 1017685313 /nfs/dbraw/zinc/68/53/13/1017685313.db2.gz GQQCDHWEZQMHDE-ZETCQYMHSA-N -1 0 315.303 -0.159 20 0 DBADRM Cc1cc([C@H](C)N2CCN3C(=O)C(=O)NC[C@@H]3C2)oc1C(=O)[O-] ZINC001600149164 1017685497 /nfs/dbraw/zinc/68/54/97/1017685497.db2.gz HVHKQDKVAKEQFY-VHSXEESVSA-N -1 0 321.333 -0.010 20 0 DBADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(=O)N[C@H](CO)[C@@H](C)O ZINC001600153274 1017685994 /nfs/dbraw/zinc/68/59/94/1017685994.db2.gz JLMFUVPLEYPIIT-BXKDBHETSA-N -1 0 324.333 -0.202 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N[C@H]1CNC(=O)C1 ZINC001600118114 1017686048 /nfs/dbraw/zinc/68/60/48/1017686048.db2.gz WNXSHLKOEPODCE-SECBINFHSA-N -1 0 305.290 -0.364 20 0 DBADRM Cc1cc([C@@H](C)N2CCN3C(=O)C(=O)NC[C@H]3C2)oc1C(=O)[O-] ZINC001600149165 1017686141 /nfs/dbraw/zinc/68/61/41/1017686141.db2.gz HVHKQDKVAKEQFY-ZJUUUORDSA-N -1 0 321.333 -0.010 20 0 DBADRM Cc1cc(CC(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001600187278 1017687386 /nfs/dbraw/zinc/68/73/86/1017687386.db2.gz CHIIFPAVXGEZNH-NEPJUHHUSA-N -1 0 320.349 -0.349 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600178457 1017687393 /nfs/dbraw/zinc/68/73/93/1017687393.db2.gz WDHGZKISQXTSMT-NEPJUHHUSA-N -1 0 320.349 -0.452 20 0 DBADRM Cc1cc(CCNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)nn1C ZINC001600187902 1017687461 /nfs/dbraw/zinc/68/74/61/1017687461.db2.gz MKBZRCZHOJHUEP-OAHLLOKOSA-N -1 0 322.365 -0.290 20 0 DBADRM Cc1cc(CC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)on1 ZINC001600187406 1017687672 /nfs/dbraw/zinc/68/76/72/1017687672.db2.gz YKNBYFICQJTZGM-JOYOIKCWSA-N -1 0 316.335 -0.470 20 0 DBADRM Cc1cc(C=O)c(O)c(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1 ZINC001600185529 1017688015 /nfs/dbraw/zinc/68/80/15/1017688015.db2.gz KBJFZGVFFIDGGW-LLVKDONJSA-N -1 0 320.301 -0.119 20 0 DBADRM Cc1cc(C)n(CC(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001600177321 1017688072 /nfs/dbraw/zinc/68/80/72/1017688072.db2.gz CLPBTZFRTSXAIU-VXGBXAGGSA-N -1 0 322.365 -0.205 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c(=O)n1 ZINC001600178551 1017688077 /nfs/dbraw/zinc/68/80/77/1017688077.db2.gz ZNJJQWKLOZUCHC-CMPLNLGQSA-N -1 0 309.322 -0.703 20 0 DBADRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CNC(=O)C1 ZINC001600224785 1017689083 /nfs/dbraw/zinc/68/90/83/1017689083.db2.gz VKFBUWBKCRZYDY-SSDOTTSWSA-N -1 0 316.310 -0.001 20 0 DBADRM Cc1cc(N(C)C)ccc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001600236511 1017689247 /nfs/dbraw/zinc/68/92/47/1017689247.db2.gz XXXQVLOYBQPZHT-NSHDSACASA-N -1 0 323.349 -0.049 20 0 DBADRM Cc1cc(CN2CC(O)(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)no1 ZINC001600192836 1017689259 /nfs/dbraw/zinc/68/92/59/1017689259.db2.gz VGRGYIIJQIYTPJ-QWRGUYRKSA-N -1 0 309.322 -0.633 20 0 DBADRM Cc1cc(CNC(=O)NCCn2cc(C(=O)[O-])nn2)ncn1 ZINC001600202225 1017689759 /nfs/dbraw/zinc/68/97/59/1017689759.db2.gz ZASKCAFUIOPRGK-UHFFFAOYSA-N -1 0 305.298 -0.426 20 0 DBADRM Cc1cc(Cn2nnnc2N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)n(C)n1 ZINC001600222805 1017689794 /nfs/dbraw/zinc/68/97/94/1017689794.db2.gz XCBNCWMYQINNIC-URLYPYJESA-N -1 0 303.326 -0.470 20 0 DBADRM Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)[nH]n1 ZINC001600189973 1017689871 /nfs/dbraw/zinc/68/98/71/1017689871.db2.gz WNGUWUCTUDFVRU-LDYMZIIASA-N -1 0 324.337 -0.923 20 0 DBADRM Cc1cc(F)ccc1-n1cc(C(=O)N[C@@H](CO)C(=O)[O-])nn1 ZINC001600232220 1017690093 /nfs/dbraw/zinc/69/00/93/1017690093.db2.gz WGBUXKILXPCNKY-JTQLQIEISA-N -1 0 308.269 -0.110 20 0 DBADRM Cc1cc(CN2CCN(CN3C[C@H](C(=O)[O-])CC3=O)CC2)on1 ZINC001600195426 1017690182 /nfs/dbraw/zinc/69/01/82/1017690182.db2.gz LYULGKOZGIIYLX-GFCCVEGCSA-N -1 0 322.365 -0.009 20 0 DBADRM Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)[nH]n1 ZINC001600189970 1017690272 /nfs/dbraw/zinc/69/02/72/1017690272.db2.gz WNGUWUCTUDFVRU-GZMMTYOYSA-N -1 0 324.337 -0.923 20 0 DBADRM Cc1cc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)ncn1 ZINC001600210164 1017690388 /nfs/dbraw/zinc/69/03/88/1017690388.db2.gz HZAWUCNLMHFWOA-UHFFFAOYSA-N -1 0 311.323 -0.455 20 0 DBADRM Cc1cc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)no1 ZINC001600192834 1017690402 /nfs/dbraw/zinc/69/04/02/1017690402.db2.gz VGRGYIIJQIYTPJ-GHMZBOCLSA-N -1 0 309.322 -0.633 20 0 DBADRM Cc1cc(CN2CCN([C@H](C)C(=O)NCC(=O)[O-])CC2)on1 ZINC001600195460 1017690535 /nfs/dbraw/zinc/69/05/35/1017690535.db2.gz MTXGTFPHITURJN-LLVKDONJSA-N -1 0 310.354 -0.310 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(N)=O)C2)n2nc(C(=O)[O-])nc2n1 ZINC001600239550 1017691519 /nfs/dbraw/zinc/69/15/19/1017691519.db2.gz YMRLZIXVEHIVNX-SSDOTTSWSA-N -1 0 305.298 -0.622 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)cn(C)c1=O ZINC001600246641 1017691655 /nfs/dbraw/zinc/69/16/55/1017691655.db2.gz WCJJYTVNRNSOSD-JTQLQIEISA-N -1 0 319.317 -0.078 20 0 DBADRM Cc1cc(NC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)n(C)n1 ZINC001600247958 1017691765 /nfs/dbraw/zinc/69/17/65/1017691765.db2.gz CHEHIYDVZJJJDI-UHFFFAOYSA-N -1 0 306.282 -0.263 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)c(C(=O)[O-])[nH]1 ZINC001600245813 1017692304 /nfs/dbraw/zinc/69/23/04/1017692304.db2.gz WVXSOWCVPMDJNB-MRVPVSSYSA-N -1 0 322.321 -0.351 20 0 DBADRM Cc1cc(NCCNC(=O)Cn2ccc(C(=O)[O-])n2)n(C)n1 ZINC001600280817 1017693916 /nfs/dbraw/zinc/69/39/16/1017693916.db2.gz BFSZQCJHQOPMGA-UHFFFAOYSA-N -1 0 306.326 -0.148 20 0 DBADRM Cc1cc(NCCN(CCO)C(=O)[C@@H]2C[C@H]2C(=O)[O-])ncn1 ZINC001600280983 1017693923 /nfs/dbraw/zinc/69/39/23/1017693923.db2.gz NNLPXJNKNZCGFW-GHMZBOCLSA-N -1 0 308.338 -0.261 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCn2ccnc2)c(C(=O)[O-])[nH]1 ZINC001600261336 1017694059 /nfs/dbraw/zinc/69/40/59/1017694059.db2.gz AWJUETKWXGPHMA-UHFFFAOYSA-N -1 0 305.294 -0.027 20 0 DBADRM Cc1cc(NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)ncc1C(=O)[O-] ZINC001600261960 1017694105 /nfs/dbraw/zinc/69/41/05/1017694105.db2.gz HDSXZYVEOZWSBY-DTORHVGOSA-N -1 0 318.289 -0.175 20 0 DBADRM Cc1cc(NC(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)n(C)n1 ZINC001600248497 1017694138 /nfs/dbraw/zinc/69/41/38/1017694138.db2.gz NLXXWDUKNKTQFN-UHFFFAOYSA-N -1 0 320.309 -0.105 20 0 DBADRM Cc1cc(NC(=O)CS(=O)(=O)C[C@@H](C)C(=O)[O-])n(C)n1 ZINC001600256737 1017694152 /nfs/dbraw/zinc/69/41/52/1017694152.db2.gz HNYBXVOLVCNGHI-SSDOTTSWSA-N -1 0 303.340 -0.197 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@@H]2COCCO2)c(C(=O)[O-])[nH]1 ZINC001600248552 1017694291 /nfs/dbraw/zinc/69/42/91/1017694291.db2.gz KLVFYFUOMFMYJO-MRVPVSSYSA-N -1 0 311.294 -0.509 20 0 DBADRM Cc1cc(NC(=O)CN(C)S(=O)(=O)N(C)C)c(C(=O)[O-])[nH]1 ZINC001600255634 1017694445 /nfs/dbraw/zinc/69/44/45/1017694445.db2.gz SPRKFQAGBXPAIX-UHFFFAOYSA-N -1 0 318.355 -0.302 20 0 DBADRM Cc1cc(NCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])nc(CO)n1 ZINC001600281359 1017694492 /nfs/dbraw/zinc/69/44/92/1017694492.db2.gz ZPSWNUNAEVUOMJ-VHSXEESVSA-N -1 0 308.338 -0.132 20 0 DBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CN1CCNC(=O)C1 ZINC001600288886 1017695545 /nfs/dbraw/zinc/69/55/45/1017695545.db2.gz KRPDFYSYHSKRJU-UHFFFAOYSA-N -1 0 321.333 -0.171 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC001600302006 1017696231 /nfs/dbraw/zinc/69/62/31/1017696231.db2.gz IFNMLEGWAUFLAM-MRVPVSSYSA-N -1 0 302.308 -0.172 20 0 DBADRM Cc1cc(S(=O)(=O)NC[C@@H]2COCCN2C)oc1C(=O)[O-] ZINC001600299568 1017696334 /nfs/dbraw/zinc/69/63/34/1017696334.db2.gz ZVGSRFINVYERFN-SECBINFHSA-N -1 0 318.351 -0.105 20 0 DBADRM Cc1cc(S(C)(=O)=O)cc(C(=O)NC[C@H](O)C(=O)[O-])c1C ZINC001600302944 1017696461 /nfs/dbraw/zinc/69/64/61/1017696461.db2.gz LIJBLCFHWJILFZ-NSHDSACASA-N -1 0 315.347 -0.118 20 0 DBADRM Cc1cc[nH]c1C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001600311223 1017696493 /nfs/dbraw/zinc/69/64/93/1017696493.db2.gz ABMWFYPZSJZDBX-IUCAKERBSA-N -1 0 320.305 -0.457 20 0 DBADRM Cc1cc2c(cc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])OCO2 ZINC001600306020 1017696542 /nfs/dbraw/zinc/69/65/42/1017696542.db2.gz AAAXWEWMQPELPF-QMMMGPOBSA-N -1 0 324.289 -0.386 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@H]2CCCNC2=O)oc1C(=O)[O-] ZINC001600301658 1017696607 /nfs/dbraw/zinc/69/66/07/1017696607.db2.gz OLHXERKBQYEGJL-ZETCQYMHSA-N -1 0 302.308 -0.157 20 0 DBADRM Cc1ccc(C(=O)NCCNC(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001600340750 1017697389 /nfs/dbraw/zinc/69/73/89/1017697389.db2.gz QZBANSGDVDCOHO-UHFFFAOYSA-N -1 0 321.333 -0.434 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1C[C@H](O)[C@@H](CO)C1 ZINC001600355543 1017697583 /nfs/dbraw/zinc/69/75/83/1017697583.db2.gz WZQLWBFDNBSXAW-YPMHNXCESA-N -1 0 308.334 -0.083 20 0 DBADRM Cc1ccc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nn1 ZINC001600340878 1017698004 /nfs/dbraw/zinc/69/80/04/1017698004.db2.gz YTJQIGIIFJCXME-NXEZZACHSA-N -1 0 306.322 -0.258 20 0 DBADRM Cc1ccc(CCNC(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])nc1 ZINC001600407707 1017698172 /nfs/dbraw/zinc/69/81/72/1017698172.db2.gz SUDARDAFEPGEIY-ZYHUDNBSSA-N -1 0 305.334 -0.114 20 0 DBADRM Cc1ccc(C(=O)NC[C@H](CO)Nc2ccnc(C(=O)[O-])n2)o1 ZINC001600337991 1017698269 /nfs/dbraw/zinc/69/82/69/1017698269.db2.gz CKSUIUPOOPBMOW-SECBINFHSA-N -1 0 320.305 -0.299 20 0 DBADRM Cc1ccc(C(=O)NCCN2CCNC(=O)C2)cc1C(=O)[O-] ZINC001600340130 1017698491 /nfs/dbraw/zinc/69/84/91/1017698491.db2.gz CTIPLTPITCEPCZ-UHFFFAOYSA-N -1 0 305.334 -0.145 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)CO)cc1C(=O)[O-] ZINC001600442711 1017699711 /nfs/dbraw/zinc/69/97/11/1017699711.db2.gz MZBIQUQSMCXLBN-AWEZNQCLSA-N -1 0 310.306 -0.509 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NC(C)(CO)CO)cc1C(=O)[O-] ZINC001600439147 1017699840 /nfs/dbraw/zinc/69/98/40/1017699840.db2.gz AOHMHHCFFCXEEH-UHFFFAOYSA-N -1 0 310.306 -0.509 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCNC(=O)C2)c(C(=O)[O-])c1 ZINC001600440274 1017699902 /nfs/dbraw/zinc/69/99/02/1017699902.db2.gz QWZKKDBCHJWFBE-UHFFFAOYSA-N -1 0 305.290 -0.410 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])c(Cl)n1 ZINC001600442574 1017700471 /nfs/dbraw/zinc/70/04/71/1017700471.db2.gz HPAIZDNGABACDV-SSDOTTSWSA-N -1 0 315.713 -0.066 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N(CCO)CCCO)c(C(=O)[O-])c1 ZINC001600438184 1017700483 /nfs/dbraw/zinc/70/04/83/1017700483.db2.gz BEBPZPHTHXGGKN-UHFFFAOYSA-N -1 0 324.333 -0.165 20 0 DBADRM Cc1ccc(S(=O)(=O)N(CCO)CCO)c(C(=O)[O-])c1 ZINC001600475267 1017700516 /nfs/dbraw/zinc/70/05/16/1017700516.db2.gz SWJVEUNUVSZHDJ-UHFFFAOYSA-N -1 0 303.336 -0.331 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NCC2(CO)COC2)c(C(=O)[O-])c1 ZINC001600443378 1017700568 /nfs/dbraw/zinc/70/05/68/1017700568.db2.gz YBJOGNKWDFBAKX-UHFFFAOYSA-N -1 0 322.317 -0.243 20 0 DBADRM Cc1ccccc1CNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001600581097 1017701327 /nfs/dbraw/zinc/70/13/27/1017701327.db2.gz RDZZVZHSUYGLKF-QWHCGFSZSA-N -1 0 320.345 -0.095 20 0 DBADRM Cc1cccc(CNC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1 ZINC001600531876 1017701402 /nfs/dbraw/zinc/70/14/02/1017701402.db2.gz ZFNGMFAVUGPNSA-PWSUYJOCSA-N -1 0 321.333 -0.293 20 0 DBADRM Cc1ccccc1[C@@H](C(=O)[O-])N1CCN(S(N)(=O)=O)CC1 ZINC001600568460 1017701416 /nfs/dbraw/zinc/70/14/16/1017701416.db2.gz QAXPWNMNRKPXGH-LBPRGKRZSA-N -1 0 313.379 -0.058 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@H](CCF)C(=O)[O-] ZINC001600509627 1017701873 /nfs/dbraw/zinc/70/18/73/1017701873.db2.gz FFKHRFRCUFEOAJ-QMTHXVAHSA-N -1 0 314.313 -0.163 20 0 DBADRM Cc1ccn(CC(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001600595162 1017702052 /nfs/dbraw/zinc/70/20/52/1017702052.db2.gz HZQBLIXLHOTNHG-JDEDCZITSA-N -1 0 320.349 -0.299 20 0 DBADRM Cc1cccn2c(=O)c(C(=O)NC[C@@H](O)CC(=O)[O-])cnc12 ZINC001600588151 1017702294 /nfs/dbraw/zinc/70/22/94/1017702294.db2.gz GEUPRBPLEPYUPJ-VIFPVBQESA-N -1 0 305.290 -0.432 20 0 DBADRM Cc1ccccc1NC(=O)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001600582445 1017702320 /nfs/dbraw/zinc/70/23/20/1017702320.db2.gz RZRMVNCTRIHTSG-LLVKDONJSA-N -1 0 319.317 -0.313 20 0 DBADRM Cc1cccc(NC(=O)NCC(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001600540351 1017702524 /nfs/dbraw/zinc/70/25/24/1017702524.db2.gz GGSCEHOUHPGNBS-UHFFFAOYSA-N -1 0 322.321 -0.566 20 0 DBADRM Cc1cn(C)nc1C(=O)NCCCNc1ccnc(C(=O)[O-])n1 ZINC001600611410 1017702824 /nfs/dbraw/zinc/70/28/24/1017702824.db2.gz HPQBMYSGODHBDQ-UHFFFAOYSA-N -1 0 318.337 -0.129 20 0 DBADRM Cc1ccnc(C(=O)N[C@H](C)CNc2ccnc(C(=O)[O-])n2)n1 ZINC001600598215 1017703219 /nfs/dbraw/zinc/70/32/19/1017703219.db2.gz IDDUTEOBIFQCPI-SECBINFHSA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1ccnc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600597807 1017703237 /nfs/dbraw/zinc/70/32/37/1017703237.db2.gz RZOOYBKRPYSBCT-GHMZBOCLSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1ccncc1NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001600606599 1017703399 /nfs/dbraw/zinc/70/33/99/1017703399.db2.gz KHBXRKQJQFOGQD-UWVGGRQHSA-N -1 0 307.306 -0.377 20 0 DBADRM Cc1ccnc(CNCCN(CCO)C(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001600600856 1017703515 /nfs/dbraw/zinc/70/35/15/1017703515.db2.gz GHSKHRPVIIXVEK-NWDGAFQWSA-N -1 0 322.365 -0.584 20 0 DBADRM Cc1ccnn1CC(=O)N(C)CCNc1ccnc(C(=O)[O-])n1 ZINC001600607768 1017703521 /nfs/dbraw/zinc/70/35/21/1017703521.db2.gz QKLBAPFBRFYOTL-UHFFFAOYSA-N -1 0 318.337 -0.328 20 0 DBADRM Cc1ccnn1CC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001600607727 1017703595 /nfs/dbraw/zinc/70/35/95/1017703595.db2.gz OGLJSTRYRMCEED-SNVBAGLBSA-N -1 0 315.351 -0.708 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)O[C@@H](C)C(=O)C(=O)[O-])c(=O)c1 ZINC001600598904 1017703681 /nfs/dbraw/zinc/70/36/81/1017703681.db2.gz SAVDODNMHSYVCB-XPTSAGLGSA-N -1 0 311.290 -0.507 20 0 DBADRM Cc1cn2ccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])cc2n1 ZINC001600615076 1017704481 /nfs/dbraw/zinc/70/44/81/1017704481.db2.gz NQDAKCIRPKNEJB-JTQLQIEISA-N -1 0 320.305 -0.467 20 0 DBADRM Cc1cn2c(n1)C[C@H](C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-])CC2 ZINC001600615790 1017704927 /nfs/dbraw/zinc/70/49/27/1017704927.db2.gz WYJOKZOHZLJVMO-MNOVXSKESA-N -1 0 320.349 -0.492 20 0 DBADRM Cc1cnc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c(O)c1 ZINC001600616603 1017704951 /nfs/dbraw/zinc/70/49/51/1017704951.db2.gz ZDXFNVPJFBVWDU-SECBINFHSA-N -1 0 307.306 -0.099 20 0 DBADRM Cc1cn2nc(C(=O)NCc3ocnc3C(=O)[O-])cc2c(=O)[nH]1 ZINC001600615609 1017705223 /nfs/dbraw/zinc/70/52/23/1017705223.db2.gz YDKIGZMACYZDOO-UHFFFAOYSA-N -1 0 317.261 -0.053 20 0 DBADRM Cc1cnc(CN2CC(O)(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001600620793 1017705321 /nfs/dbraw/zinc/70/53/21/1017705321.db2.gz RLHHICCICYCTQM-ZJUUUORDSA-N -1 0 309.322 -0.633 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001600623902 1017705727 /nfs/dbraw/zinc/70/57/27/1017705727.db2.gz HXSBLLJLQTWSHK-IONNQARKSA-N -1 0 301.324 -0.507 20 0 DBADRM Cc1cncc(CN2CC(O)(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001600627912 1017706736 /nfs/dbraw/zinc/70/67/36/1017706736.db2.gz UBMPNSGNFKQUGG-QWHCGFSZSA-N -1 0 319.361 -0.226 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001600635442 1017706972 /nfs/dbraw/zinc/70/69/72/1017706972.db2.gz JHFISGLDKXQOIL-UHFFFAOYSA-N -1 0 303.340 -0.767 20 0 DBADRM Cc1cnccc1CC(=O)NCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600630110 1017707497 /nfs/dbraw/zinc/70/74/97/1017707497.db2.gz NDOCIWZBKAIJMT-VXGBXAGGSA-N -1 0 305.334 -0.114 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)n1 ZINC001600628725 1017707539 /nfs/dbraw/zinc/70/75/39/1017707539.db2.gz PMQDAJZWLFAGES-PWSUYJOCSA-N -1 0 320.349 -0.235 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001600635242 1017708002 /nfs/dbraw/zinc/70/80/02/1017708002.db2.gz CARHNOQQTRGETE-IUCAKERBSA-N -1 0 303.340 -0.409 20 0 DBADRM Cc1cnn(-c2c(C(=O)N[C@H](CO)C(=O)[O-])c(C)nn2C)c1 ZINC001600632383 1017708069 /nfs/dbraw/zinc/70/80/69/1017708069.db2.gz KATDRUQSKCDJGC-SECBINFHSA-N -1 0 307.310 -0.602 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])n1 ZINC001600628866 1017708189 /nfs/dbraw/zinc/70/81/89/1017708189.db2.gz WQXYQRQUQOXHRG-LBPRGKRZSA-N -1 0 320.349 -0.091 20 0 DBADRM Cc1cnn(CC(=O)NCCNc2ccnc(C(=O)[O-])n2)c1 ZINC001600636509 1017708523 /nfs/dbraw/zinc/70/85/23/1017708523.db2.gz DYSATRGLZZUUSN-UHFFFAOYSA-N -1 0 304.310 -0.670 20 0 DBADRM Cc1cnoc1C(=O)NC[C@@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001600638042 1017708681 /nfs/dbraw/zinc/70/86/81/1017708681.db2.gz WCPLTTJMIAUJAJ-SECBINFHSA-N -1 0 321.293 -0.326 20 0 DBADRM Cc1cnn(Cc2cc(C(=O)N3CC(O)(C(=O)[O-])C3)no2)c1 ZINC001600638662 1017708935 /nfs/dbraw/zinc/70/89/35/1017708935.db2.gz HEYMZUAFAVXQEY-UHFFFAOYSA-N -1 0 306.278 -0.501 20 0 DBADRM Cc1cnn(CC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001600637362 1017709078 /nfs/dbraw/zinc/70/90/78/1017709078.db2.gz RMMQFIACILGCPX-HNNXBMFYSA-N -1 0 322.365 -0.421 20 0 DBADRM Cc1cnn(CCC(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001600636470 1017709103 /nfs/dbraw/zinc/70/91/03/1017709103.db2.gz FEGJOPNSFQYQPF-NWDGAFQWSA-N -1 0 320.349 -0.371 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@H]1CN2CCN1CC2 ZINC001600643198 1017709408 /nfs/dbraw/zinc/70/94/08/1017709408.db2.gz KUIAHAFDFPXNDA-NSHDSACASA-N -1 0 307.350 -0.055 20 0 DBADRM Cc1cnn(CC(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001600637964 1017709876 /nfs/dbraw/zinc/70/98/76/1017709876.db2.gz XGDCPDIKPLDWPM-NWDGAFQWSA-N -1 0 320.349 -0.419 20 0 DBADRM Cc1n[nH]c(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)c1C ZINC001600671323 1017710935 /nfs/dbraw/zinc/71/09/35/1017710935.db2.gz IXRDENQAVJQRQF-JTQLQIEISA-N -1 0 308.338 -0.034 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001600671159 1017711491 /nfs/dbraw/zinc/71/14/91/1017711491.db2.gz VOPBVRJVLROSAP-BDAKNGLRSA-N -1 0 303.340 -0.375 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001600671161 1017711501 /nfs/dbraw/zinc/71/15/01/1017711501.db2.gz VOPBVRJVLROSAP-IUCAKERBSA-N -1 0 303.340 -0.375 20 0 DBADRM Cc1nnc(CC(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)[nH]1 ZINC001600670910 1017711526 /nfs/dbraw/zinc/71/15/26/1017711526.db2.gz BZLKVXQJUQBCEV-DTWKUNHWSA-N -1 0 321.337 -0.859 20 0 DBADRM Cc1nc(N2CCN(C(=O)[C@H]3C[C@@H](C)[C@H](C(=O)[O-])O3)CC2)n[nH]1 ZINC001600670665 1017711751 /nfs/dbraw/zinc/71/17/51/1017711751.db2.gz JFSUXHYBGIAGTB-FBIMIBRVSA-N -1 0 323.353 -0.360 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@@H](O)[C@@H]2CCCO2)c1C(=O)[O-] ZINC001600673410 1017713331 /nfs/dbraw/zinc/71/33/31/1017713331.db2.gz PWXHLFRIAXRKOD-SFYZADRCSA-N -1 0 319.339 -0.765 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]1 ZINC001600671531 1017713357 /nfs/dbraw/zinc/71/33/57/1017713357.db2.gz MASSPFVPCSSMII-XKNYDFJKSA-N -1 0 321.337 -0.860 20 0 DBADRM Cc1nnc(CN2CCCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)[nH]1 ZINC001600671542 1017713626 /nfs/dbraw/zinc/71/36/26/1017713626.db2.gz MSGAHGAQFKWQGN-GHMZBOCLSA-N -1 0 307.354 -0.132 20 0 DBADRM Cc1nnc(CC(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)[nH]1 ZINC001600671684 1017713756 /nfs/dbraw/zinc/71/37/56/1017713756.db2.gz UWGDWZKHWXRHHB-SECBINFHSA-N -1 0 319.325 -0.191 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]1 ZINC001600671532 1017714156 /nfs/dbraw/zinc/71/41/56/1017714156.db2.gz MASSPFVPCSSMII-ZYUZMQFOSA-N -1 0 321.337 -0.860 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCN2CCCC2)c1C(=O)[O-] ZINC001600674058 1017714839 /nfs/dbraw/zinc/71/48/39/1017714839.db2.gz OIKJUMLYKHYBIG-UHFFFAOYSA-N -1 0 302.356 -0.210 20 0 DBADRM Cc1nnc(CN2CCCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)[nH]1 ZINC001600671543 1017715571 /nfs/dbraw/zinc/71/55/71/1017715571.db2.gz MSGAHGAQFKWQGN-MNOVXSKESA-N -1 0 307.354 -0.132 20 0 DBADRM Cc1nc(C)c(C(=O)N(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])[nH]1 ZINC001600683886 1017716033 /nfs/dbraw/zinc/71/60/33/1017716033.db2.gz ZTSJNWNGPISSMZ-UWVGGRQHSA-N -1 0 308.338 -0.065 20 0 DBADRM Cc1nn[nH]c1C(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001600675820 1017716363 /nfs/dbraw/zinc/71/63/63/1017716363.db2.gz RIVYZYKXIHPYOA-UHFFFAOYSA-N -1 0 317.309 -0.602 20 0 DBADRM Cc1nc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c(C)o1 ZINC001600683896 1017716376 /nfs/dbraw/zinc/71/63/76/1017716376.db2.gz LKHKEAKRUJYZHQ-NXEZZACHSA-N -1 0 307.306 -0.047 20 0 DBADRM Cc1nc(C)c(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])[nH]1 ZINC001600683885 1017716435 /nfs/dbraw/zinc/71/64/35/1017716435.db2.gz ZTSJNWNGPISSMZ-NXEZZACHSA-N -1 0 308.338 -0.065 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C[C@H]21 ZINC001600675985 1017716686 /nfs/dbraw/zinc/71/66/86/1017716686.db2.gz ZKSGBGZTUCPYKF-CDDJKKQXSA-N -1 0 319.321 -0.980 20 0 DBADRM CCn1ccc(CC(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001498288698 1017717959 /nfs/dbraw/zinc/71/79/59/1017717959.db2.gz NESQSYAVKHYTNB-JTQLQIEISA-N -1 0 321.385 -0.094 20 0 DBADRM Cc1nc(C)n(C2CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C2)n1 ZINC001600692442 1017718203 /nfs/dbraw/zinc/71/82/03/1017718203.db2.gz KBOPXTRNJKTOCY-SSDOTTSWSA-N -1 0 302.356 -0.198 20 0 DBADRM Cc1nc([C@H]2COCCN2C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)no1 ZINC001600694057 1017718462 /nfs/dbraw/zinc/71/84/62/1017718462.db2.gz DCCFKLDEJLFFDC-BBBLOLIVSA-N -1 0 311.294 -0.090 20 0 DBADRM Cc1nc(CN2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)CC2)no1 ZINC001600699869 1017718669 /nfs/dbraw/zinc/71/86/69/1017718669.db2.gz ACTVMDBJDOSLNO-MNOVXSKESA-N -1 0 324.337 -0.346 20 0 DBADRM Cc1nc(NC2CN(S(=O)(=O)N(C)C)C2)ccc1C(=O)[O-] ZINC001600714703 1017718679 /nfs/dbraw/zinc/71/86/79/1017718679.db2.gz ISHUZNMZRSXKSQ-UHFFFAOYSA-N -1 0 314.367 -0.009 20 0 DBADRM Cc1nc([C@H]2COCCN2CCC(=O)N(C)CC(=O)[O-])no1 ZINC001600694159 1017718882 /nfs/dbraw/zinc/71/88/82/1017718882.db2.gz DCHWZPWKUITLPL-SNVBAGLBSA-N -1 0 312.326 -0.316 20 0 DBADRM Cc1nnc(C2CN(S(=O)(=O)CC3(C(=O)[O-])CC3)C2)[nH]1 ZINC001600695553 1017719283 /nfs/dbraw/zinc/71/92/83/1017719283.db2.gz WILWAMQGFWAWNC-UHFFFAOYSA-N -1 0 300.340 -0.293 20 0 DBADRM Cc1nc(C)n(C2CN(S(=O)(=O)C[C@H](C)C(=O)[O-])C2)n1 ZINC001600692443 1017719306 /nfs/dbraw/zinc/71/93/06/1017719306.db2.gz KBOPXTRNJKTOCY-ZETCQYMHSA-N -1 0 302.356 -0.198 20 0 DBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001600722806 1017720368 /nfs/dbraw/zinc/72/03/68/1017720368.db2.gz HZEADLQUYQQEQH-OQPBUACISA-N -1 0 322.321 -0.456 20 0 DBADRM Cc1nc2ccnn2c(C)c1CCC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600730133 1017720388 /nfs/dbraw/zinc/72/03/88/1017720388.db2.gz MXNYXHLXEYGKJG-UHFFFAOYSA-N -1 0 318.333 -0.063 20 0 DBADRM Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001600731301 1017720677 /nfs/dbraw/zinc/72/06/77/1017720677.db2.gz MNIKQZFEENLDPP-CQSZACIVSA-N -1 0 321.337 -0.374 20 0 DBADRM Cc1nc(=NS(=O)(=O)c2cccc(CC(=O)[O-])c2)n(C)[nH]1 ZINC001600718473 1017720716 /nfs/dbraw/zinc/72/07/16/1017720716.db2.gz RYWKPXIHDOELHC-UHFFFAOYSA-N -1 0 310.335 -0.027 20 0 DBADRM Cc1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1C ZINC001600733591 1017721151 /nfs/dbraw/zinc/72/11/51/1017721151.db2.gz HHBGSBVVTNSDJH-ZJUUUORDSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1nc2ncnn2c(NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1C ZINC001600731505 1017721190 /nfs/dbraw/zinc/72/11/90/1017721190.db2.gz RPTSGZONDMLDBW-ZJUUUORDSA-N -1 0 318.337 -0.010 20 0 DBADRM Cc1ncc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c(N)n1 ZINC001600733338 1017721476 /nfs/dbraw/zinc/72/14/76/1017721476.db2.gz FUQJJLKSKRVZCI-LKFCYVNXSA-N -1 0 306.322 -0.069 20 0 DBADRM Cc1ncc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1C ZINC001600733629 1017721620 /nfs/dbraw/zinc/72/16/20/1017721620.db2.gz SPVZBKKINKFTOW-ZJUUUORDSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)cn1 ZINC001600737165 1017722012 /nfs/dbraw/zinc/72/20/12/1017722012.db2.gz GTJPLACDUGGERQ-XVKPBYJWSA-N -1 0 308.294 -0.576 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)cc1C(=O)[O-] ZINC001600747259 1017722390 /nfs/dbraw/zinc/72/23/90/1017722390.db2.gz SHQPFFYXKMLMOF-GHMZBOCLSA-N -1 0 316.335 -0.484 20 0 DBADRM Cc1ncc(NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1C(=O)[O-] ZINC001600740057 1017722698 /nfs/dbraw/zinc/72/26/98/1017722698.db2.gz IHUQOIHHKQDTRC-AOOOYVTPSA-N -1 0 318.289 -0.175 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)s1 ZINC001600737135 1017722956 /nfs/dbraw/zinc/72/29/56/1017722956.db2.gz FDGAESIWFZIMMJ-HTQZYQBOSA-N -1 0 313.335 -0.316 20 0 DBADRM Cc1ncc(S(=O)(=O)NC2(C(N)=O)CCC2)cc1C(=O)[O-] ZINC001600746482 1017723019 /nfs/dbraw/zinc/72/30/19/1017723019.db2.gz ZMXVDYFMOOFSNI-UHFFFAOYSA-N -1 0 313.335 -0.225 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1C(=O)[O-] ZINC001600747586 1017723255 /nfs/dbraw/zinc/72/32/55/1017723255.db2.gz UENWMDDQSSJOGL-NXEZZACHSA-N -1 0 302.308 -0.874 20 0 DBADRM Cc1nccc(N2CCN(CC(=O)NCCC(=O)[O-])CC2)n1 ZINC001600751243 1017724469 /nfs/dbraw/zinc/72/44/69/1017724469.db2.gz XDGAPNXDRWLKMM-UHFFFAOYSA-N -1 0 307.354 -0.502 20 0 DBADRM Cc1ncoc1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001600759155 1017724705 /nfs/dbraw/zinc/72/47/05/1017724705.db2.gz UYYJXOYCQJQFSI-UHFFFAOYSA-N -1 0 302.308 -0.255 20 0 DBADRM Cc1ncccc1CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600752972 1017724892 /nfs/dbraw/zinc/72/48/92/1017724892.db2.gz VHUYUYXMDPAXFB-CHWSQXEVSA-N -1 0 319.361 -0.226 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N[C@@H](Cn1ccnc1)C(=O)[O-] ZINC001600770299 1017726446 /nfs/dbraw/zinc/72/64/46/1017726446.db2.gz KXNLBEGYLNCFKD-NSHDSACASA-N -1 0 321.337 -0.118 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)NC[C@H](F)C(=O)[O-] ZINC001600768937 1017726690 /nfs/dbraw/zinc/72/66/90/1017726690.db2.gz GOQOKIFIVWJVQN-IUCAKERBSA-N -1 0 302.306 -0.208 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001600771508 1017726728 /nfs/dbraw/zinc/72/67/28/1017726728.db2.gz QGHLQQGNJYGWPD-XCBNKYQSSA-N -1 0 324.337 -0.324 20 0 DBADRM Cc1nn(C(F)F)c(C)c1CC(=O)NCC(=O)NCC(=O)[O-] ZINC001600767588 1017726741 /nfs/dbraw/zinc/72/67/41/1017726741.db2.gz TUNHDQDOXRHMBK-UHFFFAOYSA-N -1 0 318.280 -0.245 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001600765944 1017727101 /nfs/dbraw/zinc/72/71/01/1017727101.db2.gz WVTGOQUZFLFGMX-AWEZNQCLSA-N -1 0 317.305 -0.056 20 0 DBADRM Cc1ncoc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600759220 1017727442 /nfs/dbraw/zinc/72/74/42/1017727442.db2.gz YEVUJPWJQNHUGO-ZJUUUORDSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1nn(C)c(C)c1Cn1nnnc1N1CC[C@H](C(=O)[O-])C1 ZINC001600771490 1017727484 /nfs/dbraw/zinc/72/74/84/1017727484.db2.gz PYDPVKXJBMLZGG-JTQLQIEISA-N -1 0 305.342 -0.017 20 0 DBADRM Cc1nn(C)cc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600776821 1017729045 /nfs/dbraw/zinc/72/90/45/1017729045.db2.gz XMOUZQGYYVWDCN-VLEAKVRGSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])C1 ZINC001600778347 1017729299 /nfs/dbraw/zinc/72/92/99/1017729299.db2.gz RDJXKBQAEDNMNI-ZHAHWJHGSA-N -1 0 322.321 -0.732 20 0 DBADRM Cc1nn(C)cc1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600775733 1017729355 /nfs/dbraw/zinc/72/93/55/1017729355.db2.gz AQJRWPWNLQQBTH-ZJUUUORDSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1nn(C)cc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600775852 1017729365 /nfs/dbraw/zinc/72/93/65/1017729365.db2.gz DMSMSWKFLXWXSM-MNOVXSKESA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1nn2cccnc2c1C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001600790219 1017729919 /nfs/dbraw/zinc/72/99/19/1017729919.db2.gz CUHNSGKUZPJZTO-VHSXEESVSA-N -1 0 304.306 -0.055 20 0 DBADRM Cc1nn(CC(=O)N[C@@H](C(=O)[O-])c2cccs2)c(=O)n1C ZINC001600780014 1017729963 /nfs/dbraw/zinc/72/99/63/1017729963.db2.gz BNPOVKZHYOXFDL-SNVBAGLBSA-N -1 0 310.335 -0.106 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)Cn2cccc(C(=O)[O-])c2=O)[nH]1 ZINC001600791661 1017730044 /nfs/dbraw/zinc/73/00/44/1017730044.db2.gz ARFZPUAYQKZRAD-SSDOTTSWSA-N -1 0 305.294 -0.150 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)c1nnn(C)c1C ZINC001600782269 1017730430 /nfs/dbraw/zinc/73/04/30/1017730430.db2.gz JMFWEEDRVRCXAE-UHFFFAOYSA-N -1 0 306.326 -0.049 20 0 DBADRM Cc1nn(CCS(=O)(=O)NCC(C)(C)CC(=O)[O-])c(=O)o1 ZINC001600788264 1017730991 /nfs/dbraw/zinc/73/09/91/1017730991.db2.gz VWZVHXVXDLNVCL-UHFFFAOYSA-N -1 0 321.355 -0.435 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001600779711 1017731098 /nfs/dbraw/zinc/73/10/98/1017731098.db2.gz LIPFDDDEKOUXPB-WDEREUQCSA-N -1 0 324.337 -0.766 20 0 DBADRM Cc1nn(CC(=O)N(C)Cc2ccc(C(=O)[O-])cn2)c(=O)n1C ZINC001600779326 1017731240 /nfs/dbraw/zinc/73/12/40/1017731240.db2.gz ZNFVKDHQGDUAKH-UHFFFAOYSA-N -1 0 319.321 -0.358 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccnn1C)CC2 ZINC001600799971 1017731789 /nfs/dbraw/zinc/73/17/89/1017731789.db2.gz IQSREDIBBPBVQQ-SKDRFNHKSA-N -1 0 318.337 -0.175 20 0 DBADRM Cc1nnc(CNS(=O)(=O)CC2(C(=O)[O-])CCC2)n1C ZINC001600795356 1017731988 /nfs/dbraw/zinc/73/19/88/1017731988.db2.gz QLZAEPKHZSFUEC-UHFFFAOYSA-N -1 0 302.356 -0.202 20 0 DBADRM Cc1nnc(COCC(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC001600796640 1017732018 /nfs/dbraw/zinc/73/20/18/1017732018.db2.gz QWJQICQTRYDTRH-MRVPVSSYSA-N -1 0 301.324 -0.325 20 0 DBADRM Cc1nnc(N2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)CC2)n1C ZINC001600798054 1017732058 /nfs/dbraw/zinc/73/20/58/1017732058.db2.gz SEXURGBFQSBCHY-MNOVXSKESA-N -1 0 323.353 -0.596 20 0 DBADRM Cc1nnc(CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)n1C ZINC001600794688 1017732113 /nfs/dbraw/zinc/73/21/13/1017732113.db2.gz ASJAZRBJAZDDOE-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)s1 ZINC001600796416 1017732170 /nfs/dbraw/zinc/73/21/70/1017732170.db2.gz YEXGLJMNAGGHLP-POYBYMJQSA-N -1 0 312.351 -0.216 20 0 DBADRM Cc1nnc(CN2C(=O)[C@H]3CC[C@@H](C(=O)[O-])CN3C2=O)n1C ZINC001600794113 1017732402 /nfs/dbraw/zinc/73/24/02/1017732402.db2.gz LETXRGDSWOKVOV-RKDXNWHRSA-N -1 0 307.310 -0.249 20 0 DBADRM Cc1nnc(N2CCN(c3ncc(C(=O)[O-])cn3)CC2)n1C ZINC001600797594 1017732460 /nfs/dbraw/zinc/73/24/60/1017732460.db2.gz LHDSYLMKNHUVKG-UHFFFAOYSA-N -1 0 303.326 -0.062 20 0 DBADRM Cc1nnc(CCN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)o1 ZINC001600794957 1017732684 /nfs/dbraw/zinc/73/26/84/1017732684.db2.gz BZJNEVMVUBDAQY-CQSZACIVSA-N -1 0 310.354 -0.218 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)s1 ZINC001600796417 1017733152 /nfs/dbraw/zinc/73/31/52/1017733152.db2.gz YEXGLJMNAGGHLP-SVRRBLITSA-N -1 0 312.351 -0.216 20 0 DBADRM Cc1nnc(CCNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1C ZINC001600794896 1017733167 /nfs/dbraw/zinc/73/31/67/1017733167.db2.gz AMKBTGYSEWHLAW-JTQLQIEISA-N -1 0 323.353 -0.895 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)[C@@H](C)CC(=O)[O-])C2 ZINC001600800772 1017733520 /nfs/dbraw/zinc/73/35/20/1017733520.db2.gz BYNDDPIYRGAADC-WCBMZHEXSA-N -1 0 323.353 -0.504 20 0 DBADRM Cc1noc(CCC(=O)OCCc2cn(CC(=O)[O-])nn2)n1 ZINC001600812077 1017733576 /nfs/dbraw/zinc/73/35/76/1017733576.db2.gz SYPBDTNECAXGCR-UHFFFAOYSA-N -1 0 309.282 -0.227 20 0 DBADRM Cc1nnsc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600802363 1017733703 /nfs/dbraw/zinc/73/37/03/1017733703.db2.gz DISBIIOCXSVTBV-BZNPZCIMSA-N -1 0 324.362 -0.056 20 0 DBADRM Cc1nnsc1C(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001600802838 1017733728 /nfs/dbraw/zinc/73/37/28/1017733728.db2.gz RJXXAQURNIZGNO-ZCFIWIBFSA-N -1 0 322.350 -0.013 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)NCC[C@H](O)C(=O)[O-])cc1 ZINC001600800678 1017733804 /nfs/dbraw/zinc/73/38/04/1017733804.db2.gz PAOCHJNZQCAHNA-NSHDSACASA-N -1 0 305.294 -0.464 20 0 DBADRM Cc1nnsc1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600802796 1017733826 /nfs/dbraw/zinc/73/38/26/1017733826.db2.gz PAQLMJDSVFBBNV-JGVFFNPUSA-N -1 0 310.335 -0.492 20 0 DBADRM Cc1nnsc1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001600803163 1017733876 /nfs/dbraw/zinc/73/38/76/1017733876.db2.gz YTNDLDZBSJJJAK-UHFFFAOYSA-N -1 0 319.364 -0.392 20 0 DBADRM Cc1nnccc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600800615 1017734018 /nfs/dbraw/zinc/73/40/18/1017734018.db2.gz YKZGGNICLSIGBO-QSFUFRPTSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1nnsc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600802587 1017734236 /nfs/dbraw/zinc/73/42/36/1017734236.db2.gz JEDQKVYBLVFSME-BDAKNGLRSA-N -1 0 324.362 -0.150 20 0 DBADRM Cc1noc(C2CN(C(=O)C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C2)n1 ZINC001600812609 1017734480 /nfs/dbraw/zinc/73/44/80/1017734480.db2.gz AKFOTLYGTQRXDP-XWEPSHTISA-N -1 0 308.294 -0.717 20 0 DBADRM Cc1nnccc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600800614 1017734538 /nfs/dbraw/zinc/73/45/38/1017734538.db2.gz YKZGGNICLSIGBO-QCMRWSPLSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1nonc1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001600817330 1017734986 /nfs/dbraw/zinc/73/49/86/1017734986.db2.gz ANDZXBWYDZMJMZ-ZDUSSCGKSA-N -1 0 310.310 -0.620 20 0 DBADRM Cc1nonc1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600817597 1017735055 /nfs/dbraw/zinc/73/50/55/1017735055.db2.gz JALAINBTIZWJJX-AATLWQCWSA-N -1 0 322.321 -0.277 20 0 DBADRM Cc1nonc1CC(=O)NCCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001600818193 1017735254 /nfs/dbraw/zinc/73/52/54/1017735254.db2.gz ZSQRKAZJNSOWNS-IUCAKERBSA-N -1 0 310.310 -0.736 20 0 DBADRM Cc1noc(CCCNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1 ZINC001600813247 1017735493 /nfs/dbraw/zinc/73/54/93/1017735493.db2.gz SMOXYGOJCYEBNI-JTQLQIEISA-N -1 0 324.337 -0.250 20 0 DBADRM Cc1nonc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600818146 1017735538 /nfs/dbraw/zinc/73/55/38/1017735538.db2.gz XWCHBNUOJRLGML-BDAKNGLRSA-N -1 0 308.294 -0.618 20 0 DBADRM Cc1nocc1C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600816720 1017735859 /nfs/dbraw/zinc/73/58/59/1017735859.db2.gz LVKRGCIRJLWROG-IUCAKERBSA-N -1 0 323.305 -0.993 20 0 DBADRM Cc1nocc1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600816383 1017735884 /nfs/dbraw/zinc/73/58/84/1017735884.db2.gz XDAKYPUWVZSGOQ-UWVGGRQHSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1noc(CCCNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001600813576 1017735901 /nfs/dbraw/zinc/73/59/01/1017735901.db2.gz WSDVRRBUINNCFO-UWVGGRQHSA-N -1 0 312.326 -0.212 20 0 DBADRM Cc1nonc1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600818147 1017736055 /nfs/dbraw/zinc/73/60/55/1017736055.db2.gz XWCHBNUOJRLGML-DTWKUNHWSA-N -1 0 308.294 -0.618 20 0 DBADRM Cc1nonc1C(=O)N(C)CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600818746 1017736131 /nfs/dbraw/zinc/73/61/31/1017736131.db2.gz VWEXJZWAYLLVTD-DTWKUNHWSA-N -1 0 310.310 -0.323 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)n1 ZINC001600813644 1017736144 /nfs/dbraw/zinc/73/61/44/1017736144.db2.gz ZIGOVUOQYCTWLF-JTQLQIEISA-N -1 0 324.337 -0.346 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001600835498 1017736965 /nfs/dbraw/zinc/73/69/65/1017736965.db2.gz DSYBEVXDDVHSOT-NSHDSACASA-N -1 0 320.298 -0.126 20 0 DBADRM Cc1oc(CNC(=O)c2cn(C)c(=O)n(C)c2=O)cc1C(=O)[O-] ZINC001600850640 1017737134 /nfs/dbraw/zinc/73/71/34/1017737134.db2.gz KJSUGQQXLMFGAN-UHFFFAOYSA-N -1 0 321.289 -0.386 20 0 DBADRM Cc1oc(CNCCNS(=O)(=O)N(C)C)cc1C(=O)[O-] ZINC001600852157 1017737398 /nfs/dbraw/zinc/73/73/98/1017737398.db2.gz IOVRDMJSYIAIJV-UHFFFAOYSA-N -1 0 305.356 -0.228 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001600857188 1017737562 /nfs/dbraw/zinc/73/75/62/1017737562.db2.gz BHOWNLPROCKNMZ-QMMMGPOBSA-N -1 0 318.307 -0.839 20 0 DBADRM Cc1oc(S(=O)(=O)N(C)CC(C)(CO)CO)cc1C(=O)[O-] ZINC001600854746 1017737593 /nfs/dbraw/zinc/73/75/93/1017737593.db2.gz LEBSGJLLGREFDO-UHFFFAOYSA-N -1 0 321.351 -0.102 20 0 DBADRM Cc1oc(S(=O)(=O)N2C[C@H](O)C[C@H](O)C2)cc1C(=O)[O-] ZINC001600855714 1017737829 /nfs/dbraw/zinc/73/78/29/1017737829.db2.gz WTBLNQNAAQYKPV-OCAPTIKFSA-N -1 0 305.308 -0.598 20 0 DBADRM Cc1oc(CN(C)C(=O)Cn2ncn(C)c2=O)cc1C(=O)[O-] ZINC001600844451 1017737885 /nfs/dbraw/zinc/73/78/85/1017737885.db2.gz UHPXSGRDDZOHLN-UHFFFAOYSA-N -1 0 308.294 -0.160 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@]1(C)CCNC1=O ZINC001600836500 1017738046 /nfs/dbraw/zinc/73/80/46/1017738046.db2.gz NQJLVCGDVLYJLT-LLVKDONJSA-N -1 0 302.308 -0.157 20 0 DBADRM Cc1occc1C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001600860995 1017738647 /nfs/dbraw/zinc/73/86/47/1017738647.db2.gz ZMGGFHWNKOWWGT-SECBINFHSA-N -1 0 320.305 -0.299 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001600864651 1017738673 /nfs/dbraw/zinc/73/86/73/1017738673.db2.gz SIYSPVAHCGYJAC-UHFFFAOYSA-N -1 0 305.312 -0.835 20 0 DBADRM Cn1c(-c2cnc(CO)cn2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001600893810 1017739373 /nfs/dbraw/zinc/73/93/73/1017739373.db2.gz RNIBFEGGGBLVLV-QMMMGPOBSA-N -1 0 304.310 -0.325 20 0 DBADRM Cc1oc(S(=O)(=O)N2CC[C@@H](O)[C@@H](CO)C2)cc1C(=O)[O-] ZINC001600858089 1017739573 /nfs/dbraw/zinc/73/95/73/1017739573.db2.gz UTZCYLGZZKXRRF-PSASIEDQSA-N -1 0 319.335 -0.350 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NCc2ccc(C(=O)[O-])cn2)c1=O ZINC001600895991 1017740503 /nfs/dbraw/zinc/74/05/03/1017740503.db2.gz PEVTZTYFIDVUCC-UHFFFAOYSA-N -1 0 304.262 -0.491 20 0 DBADRM Cn1c(=O)ccn(CC(=O)O[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1=O ZINC001600896885 1017740542 /nfs/dbraw/zinc/74/05/42/1017740542.db2.gz VJVQHYRWDOSGLB-NXEZZACHSA-N -1 0 310.306 -0.266 20 0 DBADRM Cn1c2[nH]c(CN3CCC[C@@]3(C)C(=O)[O-])nc2c(=O)n(C)c1=O ZINC001600896627 1017741255 /nfs/dbraw/zinc/74/12/55/1017741255.db2.gz TXPWYENPQKARJX-AWEZNQCLSA-N -1 0 321.337 -0.601 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC001600905283 1017743210 /nfs/dbraw/zinc/74/32/10/1017743210.db2.gz JLMWUOUTHFUSEJ-UHFFFAOYSA-N -1 0 318.337 -0.201 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001600905734 1017743377 /nfs/dbraw/zinc/74/33/77/1017743377.db2.gz KFZUNRYLFMZHAQ-UHFFFAOYSA-N -1 0 318.289 -0.377 20 0 DBADRM Cn1c(C2=NO[C@H](CO)C2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001600908847 1017743712 /nfs/dbraw/zinc/74/37/12/1017743712.db2.gz WJLNTHGZFOWZAY-VIFPVBQESA-N -1 0 309.326 -0.399 20 0 DBADRM CN1C(=S)N=NC1CCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001600920142 1017744705 /nfs/dbraw/zinc/74/47/05/1017744705.db2.gz OXKQSVMJUFXJND-SFYZADRCSA-N -1 0 314.367 -0.215 20 0 DBADRM Cn1cc(C(=O)CCC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1 ZINC001600927761 1017745146 /nfs/dbraw/zinc/74/51/46/1017745146.db2.gz CNWYHZCDFKLOFU-MWLCHTKSSA-N -1 0 309.322 -0.323 20 0 DBADRM Cn1cc(C(=O)C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cn1 ZINC001600927836 1017745188 /nfs/dbraw/zinc/74/51/88/1017745188.db2.gz HEXNJHYGHRQQOX-UHFFFAOYSA-N -1 0 308.338 -0.390 20 0 DBADRM Cn1cc(-c2nc(C(=O)NCC(=O)NCC(=O)[O-])cs2)cn1 ZINC001600925720 1017745388 /nfs/dbraw/zinc/74/53/88/1017745388.db2.gz SZLNUYCTXPJJHS-UHFFFAOYSA-N -1 0 323.334 -0.526 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001600922050 1017745773 /nfs/dbraw/zinc/74/57/73/1017745773.db2.gz TYYNJLIICWWEHE-RQJHMYQMSA-N -1 0 323.758 -0.470 20 0 DBADRM Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)[C@H]2C[C@H]2C(=O)[O-])cn1 ZINC001600929670 1017746642 /nfs/dbraw/zinc/74/66/42/1017746642.db2.gz AUQVLOFFJDVGOG-GRYCIOLGSA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CCC2)cn1 ZINC001600929985 1017746820 /nfs/dbraw/zinc/74/68/20/1017746820.db2.gz LNJVICUJMHBIDJ-GHMZBOCLSA-N -1 0 320.349 -0.091 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CCN(c3ccnc(C(=O)[O-])n3)C2)nn1 ZINC001600931119 1017747031 /nfs/dbraw/zinc/74/70/31/1017747031.db2.gz ISRYAZLDHLMLRR-QMMMGPOBSA-N -1 0 317.309 -0.688 20 0 DBADRM Cn1cc(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)c(=O)[nH]c1=O ZINC001600930498 1017747135 /nfs/dbraw/zinc/74/71/35/1017747135.db2.gz GJASENPIXOWLDA-WDSKDSINSA-N -1 0 303.221 -0.818 20 0 DBADRM Cn1cc(C(=O)CNS(=O)(=O)c2cncc(C(=O)[O-])c2)cn1 ZINC001600929593 1017747335 /nfs/dbraw/zinc/74/73/35/1017747335.db2.gz WMSCRIPVNMNLIY-UHFFFAOYSA-N -1 0 324.318 -0.326 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)c(=O)n(C)c1=O ZINC001600930062 1017747727 /nfs/dbraw/zinc/74/77/27/1017747727.db2.gz ISBPZEKPEVXHKY-LOKLDPHHSA-N -1 0 321.333 -0.687 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)CCC[C@@]2(C)NC(=O)NC2=O)n1 ZINC001600934051 1017749009 /nfs/dbraw/zinc/74/90/09/1017749009.db2.gz XHNULPGRNPPRHQ-CYBMUJFWSA-N -1 0 323.309 -0.175 20 0 DBADRM Cn1cc(C2=NC[C@H](CN3CCO[C@H](CC(=O)[O-])C3)O2)cn1 ZINC001600946756 1017749379 /nfs/dbraw/zinc/74/93/79/1017749379.db2.gz UILRMLIDMREULM-VXGBXAGGSA-N -1 0 308.338 -0.259 20 0 DBADRM Cn1cc(C[C@@H](CO)NC(=O)c2cc(C(=O)[O-])ccn2)cn1 ZINC001600945621 1017749564 /nfs/dbraw/zinc/74/95/64/1017749564.db2.gz AHNDSCAWJXQAHR-NSHDSACASA-N -1 0 304.306 -0.153 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@](F)(CO)C1 ZINC001600941857 1017749839 /nfs/dbraw/zinc/74/98/39/1017749839.db2.gz WSKAGKVQURNRMA-LLVKDONJSA-N -1 0 306.315 -0.182 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)N3CCN(CC(=O)[O-])CC3)C2)cn1 ZINC001600946808 1017749867 /nfs/dbraw/zinc/74/98/67/1017749867.db2.gz USZQTNXEKNHDDJ-GFCCVEGCSA-N -1 0 321.337 -0.858 20 0 DBADRM Cn1cc(C2=NC[C@@H](CN3CCO[C@@H](CC(=O)[O-])C3)O2)cn1 ZINC001600946755 1017749994 /nfs/dbraw/zinc/74/99/94/1017749994.db2.gz UILRMLIDMREULM-RYUDHWBXSA-N -1 0 308.338 -0.259 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)NCC1N=NC(=O)N1C ZINC001600942038 1017750929 /nfs/dbraw/zinc/75/09/29/1017750929.db2.gz XNRURLZEHGNUFV-UHFFFAOYSA-N -1 0 315.311 -0.964 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cn1 ZINC001600946543 1017751000 /nfs/dbraw/zinc/75/10/00/1017751000.db2.gz HSYLWDVUYIRFPL-LLVKDONJSA-N -1 0 321.337 -0.022 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@@H](CCF)C(=O)[O-])c(=O)n(C)c1=O ZINC001600945926 1017751125 /nfs/dbraw/zinc/75/11/25/1017751125.db2.gz NNVMHMUZQRIMCG-TYRPZCRBSA-N -1 0 313.285 -0.974 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)Nc2cc(C(=O)[O-])nn2C)cn1 ZINC001600942890 1017751273 /nfs/dbraw/zinc/75/12/73/1017751273.db2.gz SODAZDHJZGUKOL-VIFPVBQESA-N -1 0 308.298 -0.293 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cn1 ZINC001600949333 1017751837 /nfs/dbraw/zinc/75/18/37/1017751837.db2.gz ZUVOXAQUDANKHZ-RXGFPQBGSA-N -1 0 307.350 -0.061 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)cn1 ZINC001600949081 1017752089 /nfs/dbraw/zinc/75/20/89/1017752089.db2.gz XQGUSVANABOVEA-CIUDSAMLSA-N -1 0 303.265 -0.594 20 0 DBADRM Cn1cc(C[C@@H](CO)CNC(=O)Cn2ccc(C(=O)[O-])n2)cn1 ZINC001600949065 1017752122 /nfs/dbraw/zinc/75/21/22/1017752122.db2.gz XFCRTQVXVNBRGC-LLVKDONJSA-N -1 0 321.337 -0.718 20 0 DBADRM Cn1cc(CN2CCC3(CN(C(=O)[C@@H]4C[C@@H]4C(=O)[O-])C3)C2)nn1 ZINC001600951257 1017752647 /nfs/dbraw/zinc/75/26/47/1017752647.db2.gz GWWYLFNBEHECLG-NEPJUHHUSA-N -1 0 319.365 -0.430 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC001600949788 1017752915 /nfs/dbraw/zinc/75/29/15/1017752915.db2.gz GQKXNIUDKDROLE-UHFFFAOYSA-N -1 0 308.338 -0.598 20 0 DBADRM Cn1cc(CCC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001600948980 1017752958 /nfs/dbraw/zinc/75/29/58/1017752958.db2.gz QTBWOFNGKRJAIG-VXGBXAGGSA-N -1 0 320.349 -0.600 20 0 DBADRM Cn1cc(CCCNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)cn1 ZINC001600949917 1017753221 /nfs/dbraw/zinc/75/32/21/1017753221.db2.gz IINPVRHYQNSKIR-LBPRGKRZSA-N -1 0 322.365 -0.208 20 0 DBADRM Cn1cc(CNC(=O)C(=O)N2CCC[C@](C)(C(=O)[O-])C2)cn1 ZINC001600953355 1017754911 /nfs/dbraw/zinc/75/49/11/1017754911.db2.gz CIBSXXXCBOMBTE-AWEZNQCLSA-N -1 0 308.338 -0.250 20 0 DBADRM Cn1cc(CNC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CCC2)nn1 ZINC001600953596 1017755001 /nfs/dbraw/zinc/75/50/01/1017755001.db2.gz ZZXZQEYWSKPWNG-WDEREUQCSA-N -1 0 307.354 -0.336 20 0 DBADRM Cn1cc(CNC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CCC2)nn1 ZINC001600953594 1017755142 /nfs/dbraw/zinc/75/51/42/1017755142.db2.gz ZZXZQEYWSKPWNG-MNOVXSKESA-N -1 0 307.354 -0.336 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])ccc1=O ZINC001600959858 1017755365 /nfs/dbraw/zinc/75/53/65/1017755365.db2.gz VLIYSKLHZNJDRU-NXEZZACHSA-N -1 0 307.306 -0.307 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)ccc1=O ZINC001600958399 1017755871 /nfs/dbraw/zinc/75/58/71/1017755871.db2.gz DOWQEDHGBOEYGZ-UHFFFAOYSA-N -1 0 305.290 -0.601 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N3CC[C@@](F)(C(=O)[O-])C3)CC2=O)cn1 ZINC001600961974 1017756464 /nfs/dbraw/zinc/75/64/64/1017756464.db2.gz NQPDSLSBARTOEB-OTYXRUKQSA-N -1 0 324.312 -0.202 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N3CC[C@@](F)(C(=O)[O-])C3)CC2=O)cn1 ZINC001600961975 1017757473 /nfs/dbraw/zinc/75/74/73/1017757473.db2.gz NQPDSLSBARTOEB-XPTSAGLGSA-N -1 0 324.312 -0.202 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N3CC[C@](F)(C(=O)[O-])C3)CC2=O)cn1 ZINC001600961976 1017758121 /nfs/dbraw/zinc/75/81/21/1017758121.db2.gz NQPDSLSBARTOEB-YMTOWFKASA-N -1 0 324.312 -0.202 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N3CC[C@@H]3C(=O)[O-])CCC2=O)cn1 ZINC001600962182 1017758188 /nfs/dbraw/zinc/75/81/88/1017758188.db2.gz RDOKJPKMKVIYST-GXSJLCMTSA-N -1 0 306.322 -0.151 20 0 DBADRM Cn1cc(NC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)nn1 ZINC001600963005 1017758325 /nfs/dbraw/zinc/75/83/25/1017758325.db2.gz SCTKCCGJXQRKDR-ZDUSSCGKSA-N -1 0 324.341 -0.792 20 0 DBADRM Cn1ccc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC001600970925 1017760076 /nfs/dbraw/zinc/76/00/76/1017760076.db2.gz IHPUJIIIXQFVTC-NEPJUHHUSA-N -1 0 323.349 -0.704 20 0 DBADRM Cn1cc(S(=O)(=O)NCCOCCCO)cc1C(=O)[O-] ZINC001600968366 1017760718 /nfs/dbraw/zinc/76/07/18/1017760718.db2.gz HXDBQOARVYVEGI-UHFFFAOYSA-N -1 0 306.340 -0.599 20 0 DBADRM Cn1ccc(C(=O)N[C@@H]2CCN(c3ccnc(C(=O)[O-])n3)C2)n1 ZINC001600972564 1017760788 /nfs/dbraw/zinc/76/07/88/1017760788.db2.gz JGZQOVXSFRDTOH-SECBINFHSA-N -1 0 316.321 -0.083 20 0 DBADRM Cn1ccc(C(=O)N2CC[C@@H](Nc3ccnc(C(=O)[O-])n3)C2)n1 ZINC001600970660 1017760813 /nfs/dbraw/zinc/76/08/13/1017760813.db2.gz DKYWZONUXFWMKB-SECBINFHSA-N -1 0 316.321 -0.343 20 0 DBADRM Cn1ccc(-c2cc(C(=O)NCC(=O)NCC(=O)[O-])no2)n1 ZINC001600971480 1017761096 /nfs/dbraw/zinc/76/10/96/1017761096.db2.gz SUPANJWEVYSYTA-UHFFFAOYSA-N -1 0 307.266 -0.994 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)Nc2cccc(C(=O)[O-])n2)n1 ZINC001600974916 1017762529 /nfs/dbraw/zinc/76/25/29/1017762529.db2.gz BDMWCUPQZNXIRC-UHFFFAOYSA-N -1 0 317.305 -0.189 20 0 DBADRM Cn1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600975642 1017762904 /nfs/dbraw/zinc/76/29/04/1017762904.db2.gz FWCWFHGJMMCVSH-JZRPKSSGSA-N -1 0 304.350 -0.313 20 0 DBADRM Cn1ccc([C@H](NS(=O)(=O)c2cscn2)C(=O)[O-])n1 ZINC001600976790 1017763448 /nfs/dbraw/zinc/76/34/48/1017763448.db2.gz WFYBGPQIRGIJIJ-QMMMGPOBSA-N -1 0 302.337 -0.019 20 0 DBADRM Cn1ccc(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)n1 ZINC001600972723 1017764709 /nfs/dbraw/zinc/76/47/09/1017764709.db2.gz SSSJNCKWBLHGNL-GZMMTYOYSA-N -1 0 301.324 -0.962 20 0 DBADRM Cn1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001600975644 1017765018 /nfs/dbraw/zinc/76/50/18/1017765018.db2.gz FWCWFHGJMMCVSH-KVSVUVNWSA-N -1 0 304.350 -0.313 20 0 DBADRM Cn1ccc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cc1=O ZINC001600976980 1017765805 /nfs/dbraw/zinc/76/58/05/1017765805.db2.gz XVLCAHDVCRLDJD-MRXNPFEDSA-N -1 0 321.377 -0.253 20 0 DBADRM Cn1ccnc1COCC(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001600987073 1017768482 /nfs/dbraw/zinc/76/84/82/1017768482.db2.gz LQQGRJNUXZRNDG-QWRGUYRKSA-N -1 0 311.338 -0.210 20 0 DBADRM Cn1cnc(C(=O)NCCNc2ncc(C(=O)[O-])cn2)cc1=O ZINC001600986588 1017769146 /nfs/dbraw/zinc/76/91/46/1017769146.db2.gz BRDCSLYSDMAVLU-UHFFFAOYSA-N -1 0 318.293 -0.890 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001600986639 1017769353 /nfs/dbraw/zinc/76/93/53/1017769353.db2.gz CVFODRCPCLOCOZ-LMLFDSFASA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2CCN(c3ncc(C(=O)[O-])cn3)C2)c1 ZINC001600986698 1017769436 /nfs/dbraw/zinc/76/94/36/1017769436.db2.gz FUFKXIUIFWNFBE-JTQLQIEISA-N -1 0 316.321 -0.083 20 0 DBADRM Cn1cnc(CN2C(=O)NC3(CCC(C(=O)[O-])CC3)C2=O)n1 ZINC001600989085 1017770313 /nfs/dbraw/zinc/77/03/13/1017770313.db2.gz UHIARJSKYAKJAW-UHFFFAOYSA-N -1 0 307.310 -0.120 20 0 DBADRM Cn1cnc(NC(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)n1 ZINC001600989758 1017770348 /nfs/dbraw/zinc/77/03/48/1017770348.db2.gz QTYOHLHFAVJYSP-MRVPVSSYSA-N -1 0 307.310 -0.533 20 0 DBADRM Cn1ccc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)cc1=O ZINC001600991518 1017770394 /nfs/dbraw/zinc/77/03/94/1017770394.db2.gz UFUPPNUREHXARK-JTQLQIEISA-N -1 0 308.290 -0.382 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1Cl ZINC001600991180 1017770910 /nfs/dbraw/zinc/77/09/10/1017770910.db2.gz VHYGHIBCOKZGHU-RNFRBKRXSA-N -1 0 323.758 -0.328 20 0 DBADRM Cn1cnc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600988115 1017771325 /nfs/dbraw/zinc/77/13/25/1017771325.db2.gz ZOOCPVRUGWWLSN-RGOKHQFPSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)n1 ZINC001600988894 1017771467 /nfs/dbraw/zinc/77/14/67/1017771467.db2.gz MLTNEJKLIXZFAW-SECBINFHSA-N -1 0 309.326 -0.952 20 0 DBADRM Cn1cnc(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)c1 ZINC001600988055 1017771611 /nfs/dbraw/zinc/77/16/11/1017771611.db2.gz YBCLDZCVVNELMO-GZMMTYOYSA-N -1 0 301.324 -0.962 20 0 DBADRM Cn1cncc1C(=O)NCC1(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600992343 1017771940 /nfs/dbraw/zinc/77/19/40/1017771940.db2.gz LKIYZAOOANBJPG-BDAKNGLRSA-N -1 0 306.322 -0.481 20 0 DBADRM Cn1cnc(CCCN2C(=O)[C@@H]3C[C@H](C(=O)[O-])CCN3C2=O)n1 ZINC001600989838 1017772147 /nfs/dbraw/zinc/77/21/47/1017772147.db2.gz FCMSZZHIDXFEDE-ZJUUUORDSA-N -1 0 321.337 -0.125 20 0 DBADRM Cn1cnc(C(=O)N2CC[C@H](Nc3ccnc(C(=O)[O-])n3)C2)c1 ZINC001600988363 1017772335 /nfs/dbraw/zinc/77/23/35/1017772335.db2.gz ZVCBDOIKMSZZKI-VIFPVBQESA-N -1 0 316.321 -0.343 20 0 DBADRM Cn1cnc(C(=O)NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CCC2)c1 ZINC001600987388 1017772526 /nfs/dbraw/zinc/77/25/26/1017772526.db2.gz ODXMFAHMEUEGHZ-UWVGGRQHSA-N -1 0 320.349 -0.091 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)c1Cl ZINC001600991223 1017772971 /nfs/dbraw/zinc/77/29/71/1017772971.db2.gz XHIAUWBLHLXNEQ-UHFFFAOYSA-N -1 0 323.758 -0.326 20 0 DBADRM Cn1cnnc1S(=O)(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001600995357 1017773774 /nfs/dbraw/zinc/77/37/74/1017773774.db2.gz PMIYAOFHJRRVJX-IUCAKERBSA-N -1 0 318.355 -0.637 20 0 DBADRM Cn1cnn(CC(=O)N2CCSC[C@@H]2CC(=O)[O-])c1=O ZINC001600995292 1017774377 /nfs/dbraw/zinc/77/43/77/1017774377.db2.gz IIVRMHXHSPCMTO-QMMMGPOBSA-N -1 0 300.340 -1.000 20 0 DBADRM Cn1cnnc1S(=O)(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001600995353 1017775354 /nfs/dbraw/zinc/77/53/54/1017775354.db2.gz PMIYAOFHJRRVJX-BDAKNGLRSA-N -1 0 318.355 -0.637 20 0 DBADRM Cn1cnc2cc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])ccc21 ZINC001600993220 1017775521 /nfs/dbraw/zinc/77/55/21/1017775521.db2.gz HZOLRRDAIRKXLG-VIFPVBQESA-N -1 0 320.305 -0.536 20 0 DBADRM Cn1cnn(CC(=O)N2CCOc3c(C(=O)[O-])cccc32)c1=O ZINC001600995013 1017777399 /nfs/dbraw/zinc/77/73/99/1017777399.db2.gz BJZWTZPASIBTJN-UHFFFAOYSA-N -1 0 318.289 -0.294 20 0 DBADRM Cn1cnnc1CN1CC=C(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600996381 1017778046 /nfs/dbraw/zinc/77/80/46/1017778046.db2.gz PBJDYCAKNZMWPP-RYUDHWBXSA-N -1 0 319.365 -0.216 20 0 DBADRM Cn1cnnc1COCC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001600995652 1017778448 /nfs/dbraw/zinc/77/84/48/1017778448.db2.gz IDVXWCQQERJTPW-SSDOTTSWSA-N -1 0 304.253 -0.348 20 0 DBADRM Cn1cnnc1COCC(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC001600995887 1017779507 /nfs/dbraw/zinc/77/95/07/1017779507.db2.gz LHLUFOIFVUOZGT-ZCFIWIBFSA-N -1 0 310.232 -0.147 20 0 DBADRM Cn1cnn(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c1=O ZINC001600996682 1017779595 /nfs/dbraw/zinc/77/95/95/1017779595.db2.gz YTXTZIFUVOZSNK-NSHDSACASA-N -1 0 322.296 -0.467 20 0 DBADRM Cn1cnnc1[C@H]1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001600995856 1017779743 /nfs/dbraw/zinc/77/97/43/1017779743.db2.gz DSGZRISXGAHKDC-VIFPVBQESA-N -1 0 314.367 -0.059 20 0 DBADRM Cn1nc(Br)cc1C(=O)NCC[C@H](O)C(=O)[O-] ZINC001600997562 1017779878 /nfs/dbraw/zinc/77/98/78/1017779878.db2.gz BHAUIAKCJXYIOT-LURJTMIESA-N -1 0 306.116 -0.252 20 0 DBADRM Cn1cnnc1[C@H]1CCN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC001600995984 1017780434 /nfs/dbraw/zinc/78/04/34/1017780434.db2.gz GZVHOLCPGCNRIG-VIFPVBQESA-N -1 0 302.356 -0.201 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCS(=O)(=O)C1CC1 ZINC001601001604 1017781883 /nfs/dbraw/zinc/78/18/83/1017781883.db2.gz KYDPDZVVAVCKBO-UHFFFAOYSA-N -1 0 301.324 -0.575 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC001601000416 1017782358 /nfs/dbraw/zinc/78/23/58/1017782358.db2.gz GOZNFVHVBFWBJG-NSHDSACASA-N -1 0 307.306 -0.062 20 0 DBADRM Cn1nc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])ccc1=O ZINC001601013914 1017783563 /nfs/dbraw/zinc/78/35/63/1017783563.db2.gz XQWPKAHSGJYTHU-VIFPVBQESA-N -1 0 311.294 -0.884 20 0 DBADRM Cn1nc(C(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])ccc1=O ZINC001601011616 1017783774 /nfs/dbraw/zinc/78/37/74/1017783774.db2.gz JVYWVFAFIHEOMH-MWLCHTKSSA-N -1 0 309.322 -0.220 20 0 DBADRM Cn1nc(NC(=O)CCCCCS(N)(=O)=O)cc1C(=O)[O-] ZINC001601013393 1017783916 /nfs/dbraw/zinc/78/39/16/1017783916.db2.gz VHVFIXGJEFGNMK-UHFFFAOYSA-N -1 0 318.355 -0.094 20 0 DBADRM Cn1nc(NC(=O)[C@]2(F)CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC001601012354 1017784034 /nfs/dbraw/zinc/78/40/34/1017784034.db2.gz ZAWIMWUZZIYTGB-JTQLQIEISA-N -1 0 305.287 -0.416 20 0 DBADRM Cn1nc(NC(=O)NCC(=O)NCC(F)(F)F)cc1C(=O)[O-] ZINC001601014906 1017784223 /nfs/dbraw/zinc/78/42/23/1017784223.db2.gz APTXTTXPMNEYCP-UHFFFAOYSA-N -1 0 323.231 -0.082 20 0 DBADRM Cn1ncc(C(=O)OCC(=O)Nc2cccc(C(=O)[O-])n2)c1N ZINC001601024941 1017785575 /nfs/dbraw/zinc/78/55/75/1017785575.db2.gz JQPSYKBOVJIXPE-UHFFFAOYSA-N -1 0 319.277 -0.109 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1O ZINC001601022544 1017785877 /nfs/dbraw/zinc/78/58/77/1017785877.db2.gz CZYZXOWNXXMMQW-IUCAKERBSA-N -1 0 310.310 -0.524 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N(CCO)CC1CC1 ZINC001601021550 1017785914 /nfs/dbraw/zinc/78/59/14/1017785914.db2.gz HZLRNWCJJOUYQR-UHFFFAOYSA-N -1 0 310.310 -0.712 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCC1(O)CCC1 ZINC001601024077 1017786001 /nfs/dbraw/zinc/78/60/01/1017786001.db2.gz YWVXDENCWLFQLW-UHFFFAOYSA-N -1 0 310.310 -0.522 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC1(CO)CCCC1 ZINC001601021292 1017786917 /nfs/dbraw/zinc/78/69/17/1017786917.db2.gz DMVXBDAPBHENBJ-UHFFFAOYSA-N -1 0 310.310 -0.522 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)NCC(=O)NCC(F)(F)F ZINC001601024504 1017787079 /nfs/dbraw/zinc/78/70/79/1017787079.db2.gz IDFWIEBDPYJGHL-UHFFFAOYSA-N -1 0 323.231 -0.082 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)c1-n1cnnc1 ZINC001601021767 1017787226 /nfs/dbraw/zinc/78/72/26/1017787226.db2.gz MYEJNILMNDQBFB-VIFPVBQESA-N -1 0 302.294 -0.096 20 0 DBADRM Cn1nccc1C(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601032091 1017788508 /nfs/dbraw/zinc/78/85/08/1017788508.db2.gz UHKAXAMUOFRPGS-GHMZBOCLSA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1nccc1C(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001601031590 1017789562 /nfs/dbraw/zinc/78/95/62/1017789562.db2.gz GPDUYGKRGCHWKM-UHFFFAOYSA-N -1 0 316.321 -0.295 20 0 DBADRM Cn1nccc1-c1nnc(N2CCO[C@H](CC(=O)[O-])C2)n1C ZINC001601031723 1017790254 /nfs/dbraw/zinc/79/02/54/1017790254.db2.gz HFXYLAILNDKEAO-SECBINFHSA-N -1 0 306.326 -0.105 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@H]1CCc2nnnn2CC1)C(=O)[O-] ZINC001601032941 1017791847 /nfs/dbraw/zinc/79/18/47/1017791847.db2.gz NRNLMZGMXOROPC-GZMMTYOYSA-N -1 0 319.325 -0.699 20 0 DBADRM Cn1nccc1[C@H](NC(=O)c1cnc2[nH]c(=O)[nH]c2c1)C(=O)[O-] ZINC001601033322 1017792096 /nfs/dbraw/zinc/79/20/96/1017792096.db2.gz CJUAVUGVPZMVQS-VIFPVBQESA-N -1 0 316.277 -0.047 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001601032951 1017792133 /nfs/dbraw/zinc/79/21/33/1017792133.db2.gz NWNZASQUJIXCHQ-OIBJUYFYSA-N -1 0 320.309 -0.778 20 0 DBADRM Cn1nccc1[C@H](NC(=O)/C=C\CN1CCOCC1)C(=O)[O-] ZINC001601033189 1017792153 /nfs/dbraw/zinc/79/21/53/1017792153.db2.gz VNCZPXQHYBUIFL-ZRMMWKCHSA-N -1 0 308.338 -0.450 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@@H]1CCc2nnnn2CC1)C(=O)[O-] ZINC001601032945 1017792335 /nfs/dbraw/zinc/79/23/35/1017792335.db2.gz NRNLMZGMXOROPC-KCJUWKMLSA-N -1 0 319.325 -0.699 20 0 DBADRM Cn1nccc1C(=O)NC1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601032098 1017792552 /nfs/dbraw/zinc/79/25/52/1017792552.db2.gz UHKAXAMUOFRPGS-WDEREUQCSA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1nccc1C(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001601032265 1017793076 /nfs/dbraw/zinc/79/30/76/1017793076.db2.gz ZDKLAXUIAXZDQI-VIFPVBQESA-N -1 0 316.321 -0.343 20 0 DBADRM Cn1nccc1[C@H]1COCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001601037569 1017793915 /nfs/dbraw/zinc/79/39/15/1017793915.db2.gz IPBVXEKHCOODLY-UTUOFQBUSA-N -1 0 309.322 -0.048 20 0 DBADRM Cn1ncnc1CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC001601038860 1017794508 /nfs/dbraw/zinc/79/45/08/1017794508.db2.gz OXDADXVQWYFAQO-WDEREUQCSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1nccc1COCC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001601037517 1017794646 /nfs/dbraw/zinc/79/46/46/1017794646.db2.gz AAOBBNPPKAZTRA-UHFFFAOYSA-N -1 0 308.298 -0.957 20 0 DBADRM Cn1[nH]cnc1=NC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001601039397 1017794804 /nfs/dbraw/zinc/79/48/04/1017794804.db2.gz GSVJXBGPILBDQD-AWEZNQCLSA-N -1 0 323.353 -0.149 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001601039116 1017795908 /nfs/dbraw/zinc/79/59/08/1017795908.db2.gz ZXVQVKFPTAVGOW-ZJUUUORDSA-N -1 0 323.353 -0.329 20 0 DBADRM Cn1nccc1C1(O)CN(C(=O)c2csc(C(=O)[O-])n2)C1 ZINC001601036440 1017796306 /nfs/dbraw/zinc/79/63/06/1017796306.db2.gz IVIREHXOJZLIQR-UHFFFAOYSA-N -1 0 308.319 -0.082 20 0 DBADRM Cn1ncnc1CCCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601038802 1017796328 /nfs/dbraw/zinc/79/63/28/1017796328.db2.gz MRKKSBBJWWWQOD-DTORHVGOSA-N -1 0 302.356 -0.470 20 0 DBADRM Cn1nccc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001601038076 1017796476 /nfs/dbraw/zinc/79/64/76/1017796476.db2.gz OVNFTAXKDZPXFV-RBLKWDMZSA-N -1 0 320.349 -0.553 20 0 DBADRM Cn1nccc1[C@@H]1CN(C(=O)NC[C@H](F)C(=O)[O-])CCO1 ZINC001601038044 1017796585 /nfs/dbraw/zinc/79/65/85/1017796585.db2.gz OBZFALHPRZQBED-WPRPVWTQSA-N -1 0 300.290 -0.074 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)NCc1ocnc1C(=O)[O-])CC2 ZINC001601042141 1017797077 /nfs/dbraw/zinc/79/70/77/1017797077.db2.gz IHLKDCJYTBKTSX-ZETCQYMHSA-N -1 0 305.294 -0.077 20 0 DBADRM Cn1nnc(CNC(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)n1 ZINC001601040873 1017798590 /nfs/dbraw/zinc/79/85/90/1017798590.db2.gz TYDNTNUFZBTKBB-JVVWGOMOSA-N -1 0 324.341 -0.578 20 0 DBADRM Cn1nnc(CN2CCC(C)(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001601041005 1017799509 /nfs/dbraw/zinc/79/95/09/1017799509.db2.gz YZELFNNBXNYQHP-UWVGGRQHSA-N -1 0 322.369 -0.599 20 0 DBADRM Cn1nnc(C(=O)N2CCOc3ccccc3[C@H]2C(=O)[O-])n1 ZINC001601040195 1017799838 /nfs/dbraw/zinc/79/98/38/1017799838.db2.gz ZLBHLMUBIYNHJG-JTQLQIEISA-N -1 0 303.278 -0.129 20 0 DBADRM Cn1nccc1S(=O)(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001601040223 1017800045 /nfs/dbraw/zinc/80/00/45/1017800045.db2.gz VAXRPPPNHBKUBK-QMMMGPOBSA-N -1 0 305.381 -0.142 20 0 DBADRM Cn1nnc2ccc(C(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)cc21 ZINC001601041291 1017800060 /nfs/dbraw/zinc/80/00/60/1017800060.db2.gz APHYHMTZQOSPGQ-ZJUUUORDSA-N -1 0 304.306 -0.124 20 0 DBADRM Cn1nncc1CNS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001601042431 1017800065 /nfs/dbraw/zinc/80/00/65/1017800065.db2.gz CXRLVLFFIJIFPT-UHFFFAOYSA-N -1 0 302.356 -0.121 20 0 DBADRM Cn1nnc2c1CC[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C2 ZINC001601044055 1017800339 /nfs/dbraw/zinc/80/03/39/1017800339.db2.gz YZDHKMRJAILCTL-XHNCKOQMSA-N -1 0 314.367 -0.545 20 0 DBADRM Cn1nnnc1CCCNC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001601044190 1017800492 /nfs/dbraw/zinc/80/04/92/1017800492.db2.gz IAUHYISZJWIHSD-DBIOUOCHSA-N -1 0 322.369 -0.059 20 0 DBADRM Cn1nnnc1-c1ccccc1NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001601044121 1017800673 /nfs/dbraw/zinc/80/06/73/1017800673.db2.gz DCLZTAJVWSYUEU-UHFFFAOYSA-N -1 0 318.293 -0.460 20 0 DBADRM Cn1nnnc1CNC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCC1 ZINC001601045538 1017800868 /nfs/dbraw/zinc/80/08/68/1017800868.db2.gz CAKJBDHARHDEBO-BDAKNGLRSA-N -1 0 308.342 -0.941 20 0 DBADRM Cn1nncc1C(=O)CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001601042700 1017800966 /nfs/dbraw/zinc/80/09/66/1017800966.db2.gz SGTYXWBSAXYTDG-GFCCVEGCSA-N -1 0 309.282 -0.827 20 0 DBADRM Cn1nnnc1C1CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601044441 1017801042 /nfs/dbraw/zinc/80/10/42/1017801042.db2.gz WROWHCIIHSKAQY-NXEZZACHSA-N -1 0 308.342 -0.180 20 0 DBADRM Cn1nnnc1CCCNC(=O)NCc1cc(C(=O)[O-])co1 ZINC001601044452 1017801127 /nfs/dbraw/zinc/80/11/27/1017801127.db2.gz XGOKDPKABBJJTE-UHFFFAOYSA-N -1 0 308.298 -0.067 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001601043175 1017801181 /nfs/dbraw/zinc/80/11/81/1017801181.db2.gz QDJGLEXGOSMEON-UHFFFAOYSA-N -1 0 316.317 -0.214 20 0 DBADRM Cn1nnn(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1=O ZINC001601044732 1017801273 /nfs/dbraw/zinc/80/12/73/1017801273.db2.gz MHXWFFLLFHIKOT-LLVKDONJSA-N -1 0 317.305 -0.985 20 0 DBADRM Cn1nnc2cc(C(=O)N3CCC([C@@H](O)C(=O)[O-])CC3)cnc21 ZINC001601042542 1017801350 /nfs/dbraw/zinc/80/13/50/1017801350.db2.gz FCUQKPICPPQHLH-LLVKDONJSA-N -1 0 319.321 -0.339 20 0 DBADRM Cn1nnnc1CN1CCC(C)(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601046617 1017801928 /nfs/dbraw/zinc/80/19/28/1017801928.db2.gz OPFCHNLJILPMSJ-UWVGGRQHSA-N -1 0 322.369 -0.599 20 0 DBADRM Cn1nnnc1CCNC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001601047198 1017802178 /nfs/dbraw/zinc/80/21/78/1017802178.db2.gz ZFVSGXUIJHJSLF-UHFFFAOYSA-N -1 0 322.329 -0.410 20 0 DBADRM Cn1nnnc1CCNC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001601046095 1017802276 /nfs/dbraw/zinc/80/22/76/1017802276.db2.gz KLBUPXZILREVGN-UHFFFAOYSA-N -1 0 305.298 -0.404 20 0 DBADRM NC(=O)C(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])CC2 ZINC001601136271 1017807292 /nfs/dbraw/zinc/80/72/92/1017807292.db2.gz AJJLLWHORWCWRI-ZJUUUORDSA-N -1 0 323.349 -0.967 20 0 DBADRM NC(=O)C(=O)NCCCN(c1ccnc(C(=O)[O-])n1)C1CC1 ZINC001601137185 1017807346 /nfs/dbraw/zinc/80/73/46/1017807346.db2.gz LDPQBIPNQHVJOS-UHFFFAOYSA-N -1 0 307.310 -0.865 20 0 DBADRM NC(=O)C(=O)NCCCCCCNc1ncc(C(=O)[O-])cn1 ZINC001601136825 1017808216 /nfs/dbraw/zinc/80/82/16/1017808216.db2.gz GLVGQNUCUBHBIH-UHFFFAOYSA-N -1 0 309.326 -0.251 20 0 DBADRM NC(=O)[C@]1(NCC(=O)Nc2ccc(C(=O)[O-])cc2)CCOC1 ZINC001601138200 1017808473 /nfs/dbraw/zinc/80/84/73/1017808473.db2.gz DPDBCPPYDIJTEF-AWEZNQCLSA-N -1 0 307.306 -0.443 20 0 DBADRM NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001601137534 1017808976 /nfs/dbraw/zinc/80/89/76/1017808976.db2.gz URWQJWBDUMYJSS-SCZZXKLOSA-N -1 0 321.337 -0.253 20 0 DBADRM NC(=O)C1(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)CCC1 ZINC001601138783 1017809015 /nfs/dbraw/zinc/80/90/15/1017809015.db2.gz BYKNRCYJWLGTDU-UHFFFAOYSA-N -1 0 309.322 -0.136 20 0 DBADRM NC(=O)[C@]1(NCc2nc3cc(C(=O)[O-])ccc3[nH]2)CCOC1 ZINC001601139276 1017809065 /nfs/dbraw/zinc/80/90/65/1017809065.db2.gz QSUNIEAMFNOQFP-AWEZNQCLSA-N -1 0 304.306 -0.005 20 0 DBADRM NC(=O)[C@](O)(CN1CCOC[C@H]1CC(=O)[O-])c1ccccc1 ZINC001601138403 1017809269 /nfs/dbraw/zinc/80/92/69/1017809269.db2.gz CREZZBAYIKYRJF-DOMZBBRYSA-N -1 0 308.334 -0.465 20 0 DBADRM NC(=O)C1=NO[C@H](CNS(=O)(=O)CCCCCC(=O)[O-])C1 ZINC001601141206 1017809626 /nfs/dbraw/zinc/80/96/26/1017809626.db2.gz IPVIJIRHGJFMBX-QMMMGPOBSA-N -1 0 321.355 -0.819 20 0 DBADRM NC(=O)[C@H]1CCC[C@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC001601141774 1017809681 /nfs/dbraw/zinc/80/96/81/1017809681.db2.gz CTJFJBBHGONZMK-IUCAKERBSA-N -1 0 321.337 -0.349 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)CCCC(=O)[O-] ZINC001601142086 1017809930 /nfs/dbraw/zinc/80/99/30/1017809930.db2.gz UMYJTTSQLOMWBE-YWVKMMECSA-N -1 0 304.368 -0.233 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)/C=C\c2cc(C(=O)[O-])co2)C1 ZINC001601141602 1017810099 /nfs/dbraw/zinc/81/00/99/1017810099.db2.gz OIPCETMMNBSPTA-JKERVTFKSA-N -1 0 307.262 -0.263 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC001601141743 1017810398 /nfs/dbraw/zinc/81/03/98/1017810398.db2.gz CTJFJBBHGONZMK-BDAKNGLRSA-N -1 0 321.337 -0.349 20 0 DBADRM NC(=O)[C@H]1CCC[C@@H](C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001601143937 1017810803 /nfs/dbraw/zinc/81/08/03/1017810803.db2.gz DPHBZNIUBAHNNW-VHSXEESVSA-N -1 0 313.354 -0.625 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)NCCc2cccc(C(=O)[O-])c2)CCO1 ZINC001601145230 1017810942 /nfs/dbraw/zinc/81/09/42/1017810942.db2.gz ACJHRWAHHMLKLB-LBPRGKRZSA-N -1 0 321.333 -0.177 20 0 DBADRM NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001601144174 1017811318 /nfs/dbraw/zinc/81/13/18/1017811318.db2.gz FJYPAPLBJFCJBA-SNVBAGLBSA-N -1 0 313.335 -0.192 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2ccccc2C(=O)[O-])C[C@H]1C(N)=O ZINC001601145317 1017811619 /nfs/dbraw/zinc/81/16/19/1017811619.db2.gz FDDVFDQOHFLEFO-AOOOYVTPSA-N -1 0 305.290 -0.956 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1 ZINC001601143772 1017811699 /nfs/dbraw/zinc/81/16/99/1017811699.db2.gz MWHQNZYVAYPITJ-SSDOTTSWSA-N -1 0 323.280 -0.204 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C[C@H]1C(N)=O ZINC001601146840 1017811879 /nfs/dbraw/zinc/81/18/79/1017811879.db2.gz VVBZJXJOMUZOHA-DTORHVGOSA-N -1 0 323.349 -0.933 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)Nc2cccc(C(=O)[O-])n2)CCO1 ZINC001601147797 1017812206 /nfs/dbraw/zinc/81/22/06/1017812206.db2.gz FPFJMYXNSPSJRS-QMMMGPOBSA-N -1 0 308.294 -0.112 20 0 DBADRM NC(=O)CC(=O)NC[C@@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001601147032 1017812450 /nfs/dbraw/zinc/81/24/50/1017812450.db2.gz ZKDZBTYSACUPCN-VIFPVBQESA-N -1 0 321.337 -0.617 20 0 DBADRM NC(=O)C[C@@H]1CCCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001601147832 1017812595 /nfs/dbraw/zinc/81/25/95/1017812595.db2.gz KEGHWEBDDWGAEW-HOSYDEDBSA-N -1 0 313.354 -0.227 20 0 DBADRM NC(=O)CC(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(C(=O)[O-])n1 ZINC001601146772 1017812632 /nfs/dbraw/zinc/81/26/32/1017812632.db2.gz UUZBCRDUBUPARX-RKDXNWHRSA-N -1 0 321.337 -0.831 20 0 DBADRM NC(=O)C[C@H]1COCCN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001601148339 1017812714 /nfs/dbraw/zinc/81/27/14/1017812714.db2.gz MJVUNZVYICYUIH-NSHDSACASA-N -1 0 322.317 -0.134 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)NCC2(CC(=O)[O-])CCCC2)CCO1 ZINC001601147104 1017812723 /nfs/dbraw/zinc/81/27/23/1017812723.db2.gz YRLFBOOMPIETMY-JTQLQIEISA-N -1 0 313.354 -0.083 20 0 DBADRM NC(=O)CN1CCC[C@@H](NC(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001601150933 1017813141 /nfs/dbraw/zinc/81/31/41/1017813141.db2.gz MSHWUOOJBSLRTG-SNVBAGLBSA-N -1 0 306.322 -0.541 20 0 DBADRM NC(=O)CN1CCN(Cc2ccc(OCC(=O)[O-])cc2)CC1=O ZINC001601151196 1017813165 /nfs/dbraw/zinc/81/31/65/1017813165.db2.gz SWAKEJKUGLPETC-UHFFFAOYSA-N -1 0 321.333 -0.721 20 0 DBADRM NC(=O)CCCC(=O)N1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001601149588 1017813298 /nfs/dbraw/zinc/81/32/98/1017813298.db2.gz LHXSNLPQOOONPO-UHFFFAOYSA-N -1 0 321.337 -0.521 20 0 DBADRM NC(=O)CN(C1CCOCC1)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601151256 1017813753 /nfs/dbraw/zinc/81/37/53/1017813753.db2.gz WUEHHVXQRMWTFD-WAAGHKOSSA-N -1 0 320.367 -0.854 20 0 DBADRM NC(=O)C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CCO1 ZINC001601149368 1017813791 /nfs/dbraw/zinc/81/37/91/1017813791.db2.gz XMBNEIAPBQWTOB-QMMMGPOBSA-N -1 0 318.307 -0.757 20 0 DBADRM NC(=O)COc1ccccc1C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001601151883 1017813967 /nfs/dbraw/zinc/81/39/67/1017813967.db2.gz IMXNTCYQXUWRDF-VHSXEESVSA-N -1 0 322.317 -0.542 20 0 DBADRM NC(=O)N1CC[C@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC001601154346 1017814307 /nfs/dbraw/zinc/81/43/07/1017814307.db2.gz CKYKANKRJIVAHI-SECBINFHSA-N -1 0 319.383 -0.439 20 0 DBADRM NC(=O)CSc1ccccc1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001601152390 1017814510 /nfs/dbraw/zinc/81/45/10/1017814510.db2.gz PUGIYNKBVVUIGC-CQSZACIVSA-N -1 0 324.358 -0.074 20 0 DBADRM NC(=O)N1CCC[C@H]1C(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001601155501 1017814611 /nfs/dbraw/zinc/81/46/11/1017814611.db2.gz VXIYJJGPUQTXJK-BDAKNGLRSA-N -1 0 315.326 -0.748 20 0 DBADRM NC(=O)N1CCCN(S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC001601155257 1017814990 /nfs/dbraw/zinc/81/49/90/1017814990.db2.gz QIDSDBNPBXORRU-UHFFFAOYSA-N -1 0 317.323 -0.247 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCOC[C@@H]2CC(=O)[O-])O1 ZINC001601157219 1017815361 /nfs/dbraw/zinc/81/53/61/1017815361.db2.gz RKCDSDHIEWELIK-AXFHLTTASA-N -1 0 314.338 -0.498 20 0 DBADRM NC(=O)N[C@@H](CC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])c1ccccc1 ZINC001601156434 1017815412 /nfs/dbraw/zinc/81/54/12/1017815412.db2.gz VUPXAJSHDJQGIJ-GRYCIOLGSA-N -1 0 321.333 -0.168 20 0 DBADRM NC(=O)N[C@@H](CC(=O)NC[C@H](O)CC(=O)[O-])c1cccs1 ZINC001601158818 1017815466 /nfs/dbraw/zinc/81/54/66/1017815466.db2.gz VXYPXDVFHGIWPF-SFYZADRCSA-N -1 0 315.351 -0.201 20 0 DBADRM NC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001601157322 1017815579 /nfs/dbraw/zinc/81/55/79/1017815579.db2.gz JFZJBPVRNBGNQR-VIFPVBQESA-N -1 0 313.335 -0.184 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)O1 ZINC001601158712 1017816188 /nfs/dbraw/zinc/81/61/88/1017816188.db2.gz NVYIUKMJJAAOJL-VHSXEESVSA-N -1 0 308.294 -0.933 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001601160233 1017816382 /nfs/dbraw/zinc/81/63/82/1017816382.db2.gz GQHOOUQCLGGWLR-CZMCAQCFSA-N -1 0 305.290 -0.297 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CCC(=O)N2CC[C@@](F)(C(=O)[O-])C2)O1 ZINC001601159806 1017816455 /nfs/dbraw/zinc/81/64/55/1017816455.db2.gz LGVDMDXBYHKOLF-RWEMILLDSA-N -1 0 302.302 -0.175 20 0 DBADRM NC(=O)c1cc(N2CCOC[C@@H]2CC(=O)[O-])nc(Cl)n1 ZINC001601161871 1017816524 /nfs/dbraw/zinc/81/65/24/1017816524.db2.gz QCQRWPTXBVLZMB-LURJTMIESA-N -1 0 300.702 -0.091 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)O1 ZINC001601159140 1017816560 /nfs/dbraw/zinc/81/65/60/1017816560.db2.gz BSXDSDLCPKUWCY-AXFHLTTASA-N -1 0 314.338 -0.498 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CCC(=O)N2CC[C@](F)(C(=O)[O-])C2)O1 ZINC001601159805 1017816728 /nfs/dbraw/zinc/81/67/28/1017816728.db2.gz LGVDMDXBYHKOLF-IGJMFERPSA-N -1 0 302.302 -0.175 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)nc1Cl ZINC001601162707 1017816776 /nfs/dbraw/zinc/81/67/76/1017816776.db2.gz JDSZIOCRGHBZNR-LBPRGKRZSA-N -1 0 313.697 -0.193 20 0 DBADRM NC(=O)[C@]12CCC[C@H]1CN(C(=O)Cn1cc(C(=O)[O-])nn1)C2 ZINC001601161447 1017817100 /nfs/dbraw/zinc/81/71/00/1017817100.db2.gz SFRMRWIOULPSBE-SDBXPKJASA-N -1 0 307.310 -0.910 20 0 DBADRM NC(=O)c1cc(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)on1 ZINC001601161114 1017817171 /nfs/dbraw/zinc/81/71/71/1017817171.db2.gz WOALYGGAEWFSCR-QMMMGPOBSA-N -1 0 312.282 -0.841 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])o1 ZINC001601163119 1017817199 /nfs/dbraw/zinc/81/71/99/1017817199.db2.gz GFWDXPNIPSVFTF-SSDOTTSWSA-N -1 0 309.278 -0.816 20 0 DBADRM NC(=O)c1cc(N2CCC(O)(C(=O)[O-])CC2)nc(Cl)n1 ZINC001601161743 1017817249 /nfs/dbraw/zinc/81/72/49/1017817249.db2.gz JMGFXALHGDISKT-UHFFFAOYSA-N -1 0 300.702 -0.355 20 0 DBADRM NC(=O)c1ccc(/C=C/C(=O)N[C@H](CC2OCCO2)C(=O)[O-])o1 ZINC001601164475 1017817851 /nfs/dbraw/zinc/81/78/51/1017817851.db2.gz FULLRBKNHDYNFO-HDMKULJXSA-N -1 0 324.289 -0.276 20 0 DBADRM NC(=O)c1ccc(/C=C/C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])o1 ZINC001601164478 1017817913 /nfs/dbraw/zinc/81/79/13/1017817913.db2.gz FULLRBKNHDYNFO-LXOKAJLYSA-N -1 0 324.289 -0.276 20 0 DBADRM NC(=O)c1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)co1 ZINC001601164243 1017818117 /nfs/dbraw/zinc/81/81/17/1017818117.db2.gz WEHIYOLCMVPZHA-DTWKUNHWSA-N -1 0 321.289 -0.960 20 0 DBADRM NC(=O)c1cccc2c1CCN(C(=O)NCCOCC(=O)[O-])C2 ZINC001601168582 1017818432 /nfs/dbraw/zinc/81/84/32/1017818432.db2.gz CXSZGKCBTBCSTA-UHFFFAOYSA-N -1 0 321.333 -0.046 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1 ZINC001601178634 1017820280 /nfs/dbraw/zinc/82/02/80/1017820280.db2.gz UIOTZCZPRKFGON-CRCLSJGQSA-N -1 0 307.278 -0.136 20 0 DBADRM NC(=O)c1cn(CCOC(=O)Cc2cccc(C(=O)[O-])c2)nn1 ZINC001601169819 1017818898 /nfs/dbraw/zinc/81/88/98/1017818898.db2.gz HMIOOEDSFBWZRI-UHFFFAOYSA-N -1 0 318.289 -0.139 20 0 DBADRM NC(=O)c1cn(CC(=O)NC[C@H](O)C(=O)[O-])c2ccccc12 ZINC001601171333 1017819143 /nfs/dbraw/zinc/81/91/43/1017819143.db2.gz SDOBJWDMELPVEP-NSHDSACASA-N -1 0 305.290 -0.698 20 0 DBADRM NC(=O)c1ncn(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)n1 ZINC001601173102 1017819174 /nfs/dbraw/zinc/81/91/74/1017819174.db2.gz HTCQOHJXKLCIBG-LPEHRKFASA-N -1 0 321.337 -0.521 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])S1 ZINC001601177971 1017819809 /nfs/dbraw/zinc/81/98/09/1017819809.db2.gz HJJUSWJDWIYHIC-RKDXNWHRSA-N -1 0 322.346 -0.250 20 0 DBADRM NC(=O)c1ncn(CC(=O)N[C@H](CC(=O)[O-])C2CCCC2)n1 ZINC001601174196 1017819910 /nfs/dbraw/zinc/81/99/10/1017819910.db2.gz UJHRRACGOXBGBI-SECBINFHSA-N -1 0 309.326 -0.473 20 0 DBADRM NC(=O)c1ncn(CC(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])n1 ZINC001601174623 1017820421 /nfs/dbraw/zinc/82/04/21/1017820421.db2.gz ZLVLHTJAHBCZMI-SNVBAGLBSA-N -1 0 323.353 -0.226 20 0 DBADRM NC(=O)c1ncn(CC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)n1 ZINC001601174203 1017820601 /nfs/dbraw/zinc/82/06/01/1017820601.db2.gz ULTPRLATPVKDJQ-QMMMGPOBSA-N -1 0 307.310 -0.910 20 0 DBADRM NCC(F)(F)CNC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001601184350 1017821836 /nfs/dbraw/zinc/82/18/36/1017821836.db2.gz ZVUBIVDKMUFNDB-UHFFFAOYSA-N -1 0 321.324 -0.200 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)Cc2ccc(C(=O)[O-])nc2)C1 ZINC001601192310 1017822606 /nfs/dbraw/zinc/82/26/06/1017822606.db2.gz KBCGGTFRCPXOMN-SECBINFHSA-N -1 0 313.335 -0.788 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)NC[C@H](CC(=O)[O-])C2CC2)CC1 ZINC001601192306 1017822837 /nfs/dbraw/zinc/82/28/37/1017822837.db2.gz JUIHZYYWUGJUCS-VIFPVBQESA-N -1 0 319.383 -0.392 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001601192805 1017822971 /nfs/dbraw/zinc/82/29/71/1017822971.db2.gz DYLAKRKVKQWZEI-SNVBAGLBSA-N -1 0 322.383 -0.463 20 0 DBADRM NS(=O)(=O)C1(C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])CC1 ZINC001601191978 1017822985 /nfs/dbraw/zinc/82/29/85/1017822985.db2.gz FLTZOQPQLNBJHO-ZETCQYMHSA-N -1 0 319.364 -0.924 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001601194087 1017823224 /nfs/dbraw/zinc/82/32/24/1017823224.db2.gz MLLZYVQAPJIPHB-UHFFFAOYSA-N -1 0 302.283 -0.363 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)/C=C/c2cc(C(=O)[O-])co2)C1 ZINC001601193711 1017823341 /nfs/dbraw/zinc/82/33/41/1017823341.db2.gz GYBCHPJALHGIJY-OWOJBTEDSA-N -1 0 300.292 -0.510 20 0 DBADRM NS(=O)(=O)CCCC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001601192993 1017823422 /nfs/dbraw/zinc/82/34/22/1017823422.db2.gz IPVSJUCRAHHMFV-SKDRFNHKSA-N -1 0 304.368 -0.089 20 0 DBADRM NS(=O)(=O)C[C@H]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])[nH]2)C1 ZINC001601193941 1017823487 /nfs/dbraw/zinc/82/34/87/1017823487.db2.gz NMWOGLSTSYYAJZ-JGVFFNPUSA-N -1 0 315.351 -0.100 20 0 DBADRM NS(=O)(=O)CCNC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001601194232 1017823491 /nfs/dbraw/zinc/82/34/91/1017823491.db2.gz XZUDTAYVMKTFEE-MFKMUULPSA-N -1 0 312.347 -0.350 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(c2cnc(C(=O)[O-])cn2)C1 ZINC001601194467 1017823713 /nfs/dbraw/zinc/82/37/13/1017823713.db2.gz SFOJODPLYNGGIH-QMMMGPOBSA-N -1 0 300.340 -0.320 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC001601194670 1017823777 /nfs/dbraw/zinc/82/37/77/1017823777.db2.gz VUDJWBZOIHSJHL-DUXPYHPUSA-N -1 0 300.292 -0.510 20 0 DBADRM NS(=O)(=O)CCNC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001601194233 1017824025 /nfs/dbraw/zinc/82/40/25/1017824025.db2.gz XZUDTAYVMKTFEE-ZWNOBZJWSA-N -1 0 312.347 -0.350 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC001601192916 1017824060 /nfs/dbraw/zinc/82/40/60/1017824060.db2.gz XYPVEGFHGOFSET-NSHDSACASA-N -1 0 312.347 -0.183 20 0 DBADRM NS(=O)(=O)c1cc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)co1 ZINC001601196392 1017824227 /nfs/dbraw/zinc/82/42/27/1017824227.db2.gz GSLDWWILTVFVRF-BDAKNGLRSA-N -1 0 304.324 -0.806 20 0 DBADRM NS(=O)(=O)c1cc(CN2CCC(O)(C(=O)[O-])CC2)co1 ZINC001601196504 1017824568 /nfs/dbraw/zinc/82/45/68/1017824568.db2.gz MNDXPHVBYINAFG-UHFFFAOYSA-N -1 0 304.324 -0.662 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cs1 ZINC001601195835 1017824820 /nfs/dbraw/zinc/82/48/20/1017824820.db2.gz FRDMKHPAKODKRK-QMSLJYSESA-N -1 0 316.360 -0.202 20 0 DBADRM NS(=O)(=O)N1CCN(Cc2cc(C(=O)[O-])cs2)CC1 ZINC001601195602 1017824938 /nfs/dbraw/zinc/82/49/38/1017824938.db2.gz WFDQHZVPBFHQAG-UHFFFAOYSA-N -1 0 305.381 -0.233 20 0 DBADRM NS(=O)(=O)NC[C@@H]1CCCN(c2cnc(C(=O)[O-])cn2)C1 ZINC001601195326 1017824993 /nfs/dbraw/zinc/82/49/93/1017824993.db2.gz PISMUJFYDWOFRK-QMMMGPOBSA-N -1 0 315.355 -0.816 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H](CF)C(=O)[O-])oc1Cl ZINC001601196156 1017825186 /nfs/dbraw/zinc/82/51/86/1017825186.db2.gz QFLDQVNJILKZEZ-GSVOUGTGSA-N -1 0 314.678 -0.267 20 0 DBADRM NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601195107 1017825190 /nfs/dbraw/zinc/82/51/90/1017825190.db2.gz HMYAPSOAMOSPKI-AEJSXWLSSA-N -1 0 319.383 -0.729 20 0 DBADRM Nc1nc(N)nc(CS[C@@H]2CCN(CCC(=O)[O-])C2=O)n1 ZINC001601219954 1017827308 /nfs/dbraw/zinc/82/73/08/1017827308.db2.gz NVJUPLBVDONUKS-ZCFIWIBFSA-N -1 0 312.355 -0.655 20 0 DBADRM Nc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])nc1 ZINC001601214571 1017827526 /nfs/dbraw/zinc/82/75/26/1017827526.db2.gz LEXPCIANIKHVLU-UHFFFAOYSA-N -1 0 308.338 -0.477 20 0 DBADRM Nc1nnc(CC(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)s1 ZINC001601223882 1017828500 /nfs/dbraw/zinc/82/85/00/1017828500.db2.gz HYLCVVDUZSBMRP-RNFRBKRXSA-N -1 0 300.340 -0.484 20 0 DBADRM Nc1nccnc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001601221853 1017828533 /nfs/dbraw/zinc/82/85/33/1017828533.db2.gz CWVVWGROFZNCBT-XAVMHZPKSA-N -1 0 319.321 -0.844 20 0 DBADRM Nc1nnn(CC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)n1 ZINC001601223417 1017828575 /nfs/dbraw/zinc/82/85/75/1017828575.db2.gz AZGLKSJNRGYXNM-MRVPVSSYSA-N -1 0 302.294 -0.140 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)[C@H]3CCS(=O)(=O)C3)C[C@H]1COCC2 ZINC001601228818 1017829025 /nfs/dbraw/zinc/82/90/25/1017829025.db2.gz XKFLDBOOTJAPAT-OUJBWJOFSA-N -1 0 317.363 -0.629 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N2CCC3(CC3(F)F)CC2)C1 ZINC001601226090 1017829125 /nfs/dbraw/zinc/82/91/25/1017829125.db2.gz WLRSJBHWENONAV-UHFFFAOYSA-N -1 0 318.276 -0.708 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCCOCC1)C2 ZINC001601224946 1017829266 /nfs/dbraw/zinc/82/92/66/1017829266.db2.gz RENMFGUPIPCLMU-NHYWBVRUSA-N -1 0 310.350 -0.051 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)C1 ZINC001601227274 1017829274 /nfs/dbraw/zinc/82/92/74/1017829274.db2.gz OGDTZCKBNHSHNQ-PSLIRLAXSA-N -1 0 302.286 -0.446 20 0 DBADRM Nc1nnn(CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)n1 ZINC001601224596 1017829326 /nfs/dbraw/zinc/82/93/26/1017829326.db2.gz PIUFRLPKAGWZQJ-KXUCPTDWSA-N -1 0 308.342 -0.253 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N2CCC3(C2)CCCCC3)C1 ZINC001601226047 1017829602 /nfs/dbraw/zinc/82/96/02/1017829602.db2.gz VIZWVIICSMLPKI-UHFFFAOYSA-N -1 0 310.350 -0.173 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C3=CCS(=O)(=O)C3)C[C@H]1COCC2 ZINC001601226218 1017829701 /nfs/dbraw/zinc/82/97/01/1017829701.db2.gz AAGXSXFAVJYAOV-GXFFZTMASA-N -1 0 315.347 -0.709 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C1 ZINC001601227573 1017829758 /nfs/dbraw/zinc/82/97/58/1017829758.db2.gz JSTMACKSAVHMFK-WRWORJQWSA-N -1 0 324.255 -0.412 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001601226837 1017829778 /nfs/dbraw/zinc/82/97/78/1017829778.db2.gz DYCXXPRLPPRFSX-SECBINFHSA-N -1 0 322.292 -0.164 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)C1 ZINC001601227484 1017829887 /nfs/dbraw/zinc/82/98/87/1017829887.db2.gz SAIVUINQTONVAB-NOZJJQNGSA-N -1 0 317.363 -0.751 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)C[C@H]2CCOC2)nc1 ZINC001601256401 1017830152 /nfs/dbraw/zinc/83/01/52/1017830152.db2.gz NAIPVBWXGHAFPO-MWLCHTKSSA-N -1 0 324.337 -0.510 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)C[C@@H]2C=CCC2)n1 ZINC001601247791 1017830336 /nfs/dbraw/zinc/83/03/36/1017830336.db2.gz CUEIJTCYWJLSBL-GHMZBOCLSA-N -1 0 320.349 -0.158 20 0 DBADRM O=C([O-])C1CC(OC(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC001601247060 1017830493 /nfs/dbraw/zinc/83/04/93/1017830493.db2.gz HJZWCARNQGMYCY-UHFFFAOYSA-N -1 0 310.310 -0.025 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001601248204 1017830688 /nfs/dbraw/zinc/83/06/88/1017830688.db2.gz JQMFMSXYDXNFFQ-DTWKUNHWSA-N -1 0 319.335 -0.733 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)C[C@H]2C=CCC2)n1 ZINC001601247793 1017830736 /nfs/dbraw/zinc/83/07/36/1017830736.db2.gz CUEIJTCYWJLSBL-QWRGUYRKSA-N -1 0 320.349 -0.158 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)CC2(O)CCC2)nc1 ZINC001601247001 1017830787 /nfs/dbraw/zinc/83/07/87/1017830787.db2.gz KNIYOYIWKGGKOB-SNVBAGLBSA-N -1 0 324.337 -0.631 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001601257893 1017831208 /nfs/dbraw/zinc/83/12/08/1017831208.db2.gz RATJWXAOBBOZMG-QMMMGPOBSA-N -1 0 319.335 -0.912 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001601257308 1017830979 /nfs/dbraw/zinc/83/09/79/1017830979.db2.gz WBUKPFWUNPJVHE-MWLCHTKSSA-N -1 0 319.379 -0.193 20 0 DBADRM O=C([O-])C1(NC(=O)C[C@H]2CCCS2(=O)=O)CC(CO)C1 ZINC001601256764 1017830994 /nfs/dbraw/zinc/83/09/94/1017830994.db2.gz VRHABYGEBGPLNF-NBBOBHDQSA-N -1 0 305.352 -0.704 20 0 DBADRM O=C(C[C@@H]1CCNC1=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001601256626 1017831016 /nfs/dbraw/zinc/83/10/16/1017831016.db2.gz TZGMMKBFPXKJPK-DTWKUNHWSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)CC2OCCCO2)n1 ZINC001601259175 1017831220 /nfs/dbraw/zinc/83/12/20/1017831220.db2.gz POYNJQYSJXKCEG-UHFFFAOYSA-N -1 0 310.310 -0.722 20 0 DBADRM O=C([O-])c1ccccc1CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001601264944 1017831526 /nfs/dbraw/zinc/83/15/26/1017831526.db2.gz PEYCIOTWZLRKMW-SNVBAGLBSA-N -1 0 305.290 -0.011 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CCCNC(=O)c1cccnc1 ZINC001601268555 1017831668 /nfs/dbraw/zinc/83/16/68/1017831668.db2.gz IGBWZHLQSGEGLK-WCQYABFASA-N -1 0 321.333 -0.050 20 0 DBADRM O=C([O-])c1cc(CNC(=O)CC[C@H]2NC(=O)NC2=O)ccn1 ZINC001601264983 1017831684 /nfs/dbraw/zinc/83/16/84/1017831684.db2.gz PXFYPUUHKXLREM-MRVPVSSYSA-N -1 0 306.278 -0.616 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNC(=O)CCCn1ccnc1 ZINC001601274576 1017831802 /nfs/dbraw/zinc/83/18/02/1017831802.db2.gz ZQPAGYNQZLOFCI-WDEREUQCSA-N -1 0 308.338 -0.384 20 0 DBADRM O=C(CCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)NC1CC1 ZINC001601268108 1017831987 /nfs/dbraw/zinc/83/19/87/1017831987.db2.gz SBTZSKJWKARDLD-SECBINFHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)CCCn2cncn2)n1 ZINC001601277067 1017832277 /nfs/dbraw/zinc/83/22/77/1017832277.db2.gz XATWKLLMWWRNSH-UHFFFAOYSA-N -1 0 319.325 -0.803 20 0 DBADRM O=C(CCOCC1CC1)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001601280914 1017832382 /nfs/dbraw/zinc/83/23/82/1017832382.db2.gz OLMDFAKQIBAQGT-RYUDHWBXSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCCN1CCNC1=S ZINC001601284608 1017832407 /nfs/dbraw/zinc/83/24/07/1017832407.db2.gz IBILBTMHDCKHET-VHSXEESVSA-N -1 0 315.395 -0.437 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)NC1(C(=O)[O-])CCSCC1 ZINC001601276019 1017832428 /nfs/dbraw/zinc/83/24/28/1017832428.db2.gz JXDGGYOTQDCUPA-UHFFFAOYSA-N -1 0 314.363 -0.008 20 0 DBADRM O=C([O-])c1nccc(NC(=O)CCNC(=O)c2ccco2)n1 ZINC001601279219 1017832708 /nfs/dbraw/zinc/83/27/08/1017832708.db2.gz LEHKPKYRRDBVIT-UHFFFAOYSA-N -1 0 304.262 -0.052 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CCN1CCOCC1 ZINC001601277234 1017832996 /nfs/dbraw/zinc/83/29/96/1017832996.db2.gz YUBUMRRJEHIJSI-CYBMUJFWSA-N -1 0 307.350 -0.084 20 0 DBADRM O=C(CCNC(=O)c1cccs1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001601279744 1017833215 /nfs/dbraw/zinc/83/32/15/1017833215.db2.gz QOZYTMXYPKRYGP-KTLJEJPDSA-N -1 0 312.347 -0.038 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCCNC(=O)CCc1cn[nH]c1 ZINC001601293871 1017833692 /nfs/dbraw/zinc/83/36/92/1017833692.db2.gz MFBFBHLUKUGDOY-QWRGUYRKSA-N -1 0 308.338 -0.315 20 0 DBADRM O=C(CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C1CC1)NC1CC1 ZINC001601301642 1017833699 /nfs/dbraw/zinc/83/36/99/1017833699.db2.gz UOXCXOMOASHRRH-NWDGAFQWSA-N -1 0 309.366 -0.434 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)CCn2ccnn2)C1 ZINC001601299336 1017833713 /nfs/dbraw/zinc/83/37/13/1017833713.db2.gz GVCGHSGAEVAZIZ-ZRUFSTJUSA-N -1 0 321.337 -0.848 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)CCc2nnc[nH]2)C1 ZINC001601296500 1017834003 /nfs/dbraw/zinc/83/40/03/1017834003.db2.gz ITDWICTZKGCYQS-NXEZZACHSA-N -1 0 321.337 -0.967 20 0 DBADRM O=C([O-])C1(NC(=O)CCn2ccnc2)CCS(=O)(=O)CC1 ZINC001601300159 1017834034 /nfs/dbraw/zinc/83/40/34/1017834034.db2.gz ZJTFDEONIIAECH-UHFFFAOYSA-N -1 0 315.351 -0.579 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCCNC(=O)CCc1cn[nH]c1 ZINC001601293870 1017834127 /nfs/dbraw/zinc/83/41/27/1017834127.db2.gz MFBFBHLUKUGDOY-MNOVXSKESA-N -1 0 308.338 -0.315 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001601300360 1017834265 /nfs/dbraw/zinc/83/42/65/1017834265.db2.gz PZLGOEYAGTVENV-ITMYJUKJSA-N -1 0 307.306 -0.704 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC001601301449 1017834516 /nfs/dbraw/zinc/83/45/16/1017834516.db2.gz BKWGKAIXLUUAKG-QMMMGPOBSA-N -1 0 315.301 -0.220 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)CCc2ncccn2)n1 ZINC001601294370 1017834525 /nfs/dbraw/zinc/83/45/25/1017834525.db2.gz HBQXGZCHXGHUBL-UHFFFAOYSA-N -1 0 316.321 -0.452 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)CN2CCC(CO)CC2)CCSC1 ZINC001601305490 1017834947 /nfs/dbraw/zinc/83/49/47/1017834947.db2.gz OKEVTCQRAGXZNT-CYBMUJFWSA-N -1 0 302.396 -0.233 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)CN1C(=O)CCC1=O ZINC001601303784 1017835079 /nfs/dbraw/zinc/83/50/79/1017835079.db2.gz VMCNDHVKYRUCFC-QMMMGPOBSA-N -1 0 320.305 -0.319 20 0 DBADRM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601302825 1017835329 /nfs/dbraw/zinc/83/53/29/1017835329.db2.gz MLUWWPYMLIXAOD-QFOLPQNPSA-N -1 0 324.333 -0.480 20 0 DBADRM O=C([O-])[C@]1(NC(=O)CN2CCC(CO)CC2)CCSC1 ZINC001601305491 1017835515 /nfs/dbraw/zinc/83/55/15/1017835515.db2.gz OKEVTCQRAGXZNT-ZDUSSCGKSA-N -1 0 302.396 -0.233 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2CCn3cncc3C2)C1=O ZINC001601308297 1017835699 /nfs/dbraw/zinc/83/56/99/1017835699.db2.gz LBIFFETWABZGHO-JQWIXIFHSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)N[C@@H]1CCCCNC1=O ZINC001601308792 1017835737 /nfs/dbraw/zinc/83/57/37/1017835737.db2.gz QVTKWGJUGDDLJO-NXEZZACHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NCC2(n3cccn3)CC2)C1=O ZINC001601309156 1017835932 /nfs/dbraw/zinc/83/59/32/1017835932.db2.gz XKARROQPWXEPKX-LLVKDONJSA-N -1 0 320.349 -0.188 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2CCC[C@H]2CCO)C1=O ZINC001601309314 1017836139 /nfs/dbraw/zinc/83/61/39/1017836139.db2.gz YTHVLPKJBVUKOZ-SDDRHHMPSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C(CN1CCC[C@@H]2C[C@@]21C(=O)[O-])N[C@H]1CCS(=O)(=O)C1 ZINC001601313802 1017837158 /nfs/dbraw/zinc/83/71/58/1017837158.db2.gz WLAXMDGVDVVUCG-NRUUGDAUSA-N -1 0 316.379 -0.771 20 0 DBADRM O=C([O-])c1cnc(COC(=O)CN2CCCS2(=O)=O)cn1 ZINC001601313756 1017837256 /nfs/dbraw/zinc/83/72/56/1017837256.db2.gz SILOTZXBJVIJAW-UHFFFAOYSA-N -1 0 315.307 -0.747 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)O[C@@H]1CC(=O)N(C2CC2)C1 ZINC001601310802 1017837313 /nfs/dbraw/zinc/83/73/13/1017837313.db2.gz RAYKEEAHHUBLBV-GHMZBOCLSA-N -1 0 324.333 -0.384 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCCC(=O)C1=O ZINC001601314989 1017837403 /nfs/dbraw/zinc/83/74/03/1017837403.db2.gz SXDCTMCNGGYRLF-JTQLQIEISA-N -1 0 322.321 -0.897 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)CN2CCN(C3CC3)C2=O)C1(F)F ZINC001601314671 1017837461 /nfs/dbraw/zinc/83/74/61/1017837461.db2.gz MEICUPIEORUWDP-WPRPVWTQSA-N -1 0 317.292 -0.032 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1CC(=O)NCC(=O)c1ccccc1 ZINC001601310644 1017837688 /nfs/dbraw/zinc/83/76/88/1017837688.db2.gz QICUCHXOJXITDH-SWLSCSKDSA-N -1 0 320.345 -0.105 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)O[C@H]1CC(=O)N(C2CC2)C1 ZINC001601310804 1017837782 /nfs/dbraw/zinc/83/77/82/1017837782.db2.gz RAYKEEAHHUBLBV-QWRGUYRKSA-N -1 0 324.333 -0.384 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC001601315190 1017837787 /nfs/dbraw/zinc/83/77/87/1017837787.db2.gz VVUXUIRKGSZFEP-BETUJISGSA-N -1 0 323.393 -0.136 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CN1CCOCC1=O ZINC001601316878 1017837921 /nfs/dbraw/zinc/83/79/21/1017837921.db2.gz MWJRLBVFTFIAJJ-LBPRGKRZSA-N -1 0 306.318 -0.343 20 0 DBADRM O=C(CN1CCCCS1(=O)=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601315770 1017837945 /nfs/dbraw/zinc/83/79/45/1017837945.db2.gz YWKWPMMWEWDVTN-MWLCHTKSSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)CN1CCCS1(=O)=O ZINC001601315719 1017838081 /nfs/dbraw/zinc/83/80/81/1017838081.db2.gz WRTVXDNUSYWOBV-ZCFIWIBFSA-N -1 0 318.273 -0.456 20 0 DBADRM O=C(CN1CCOCC1)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001601317034 1017838124 /nfs/dbraw/zinc/83/81/24/1017838124.db2.gz QLUAYBNEHOYEDE-SNVBAGLBSA-N -1 0 302.327 -0.959 20 0 DBADRM O=C(CN1CSCC1=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001601318364 1017838159 /nfs/dbraw/zinc/83/81/59/1017838159.db2.gz SJGWPDMENFTCAP-DTWKUNHWSA-N -1 0 302.352 -0.627 20 0 DBADRM O=C(CN1CSCC1=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001601318363 1017838235 /nfs/dbraw/zinc/83/82/35/1017838235.db2.gz SJGWPDMENFTCAP-BDAKNGLRSA-N -1 0 302.352 -0.627 20 0 DBADRM O=C([O-])c1sccc1NC(=O)CN1CC[C@@H](O)[C@@H](O)C1 ZINC001601318510 1017838428 /nfs/dbraw/zinc/83/84/28/1017838428.db2.gz OOJZHEIILICFFJ-BDAKNGLRSA-N -1 0 300.336 -0.188 20 0 DBADRM O=C([O-])c1cccc(CCNC(=O)CN2CCNCC2=O)c1 ZINC001601316273 1017838505 /nfs/dbraw/zinc/83/85/05/1017838505.db2.gz DLTUQZYTRIPZBV-UHFFFAOYSA-N -1 0 305.334 -0.525 20 0 DBADRM O=C(CN1CCNCC1=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001601316284 1017838584 /nfs/dbraw/zinc/83/85/84/1017838584.db2.gz DVXOYIAHGUDMRH-UHFFFAOYSA-N -1 0 311.382 -0.040 20 0 DBADRM O=C([O-])C1(NC(=O)CN2C[C@@H](O)C[C@H]2CO)CCCCC1 ZINC001601318597 1017838649 /nfs/dbraw/zinc/83/86/49/1017838649.db2.gz YXNYZIJZONTDSP-QWRGUYRKSA-N -1 0 300.355 -0.682 20 0 DBADRM O=C(CN1CCOC1=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001601316716 1017838709 /nfs/dbraw/zinc/83/87/09/1017838709.db2.gz RQPCALMRPQLIHK-MRVPVSSYSA-N -1 0 302.283 -0.839 20 0 DBADRM O=C(CN1CCOCC1=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001601316647 1017838788 /nfs/dbraw/zinc/83/87/88/1017838788.db2.gz HLACJKUCMJKRFH-MNOVXSKESA-N -1 0 314.338 -0.769 20 0 DBADRM O=C(CN1CSCC1=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001601318365 1017838816 /nfs/dbraw/zinc/83/88/16/1017838816.db2.gz SJGWPDMENFTCAP-IUCAKERBSA-N -1 0 302.352 -0.627 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CN2CCNCC2=O)c(F)c1 ZINC001601316506 1017838873 /nfs/dbraw/zinc/83/88/73/1017838873.db2.gz LQVFYEBXJLLFJE-UHFFFAOYSA-N -1 0 309.297 -0.428 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CN2CCN(CC(=O)NC3CC3)CC2)C1(F)F ZINC001601315914 1017838973 /nfs/dbraw/zinc/83/89/73/1017838973.db2.gz HZXMAEFUPLKCIE-JQWIXIFHSA-N -1 0 317.336 -0.152 20 0 DBADRM O=C([O-])c1ccc(NC(=O)NCC(=O)NCC(F)(F)F)nn1 ZINC001601320976 1017839095 /nfs/dbraw/zinc/83/90/95/1017839095.db2.gz NRXXAGMGQVQTJS-UHFFFAOYSA-N -1 0 321.215 -0.025 20 0 DBADRM O=C(CN1CCOC[C@H]1CO)NC1(C(=O)[O-])CCCCC1 ZINC001601319490 1017839282 /nfs/dbraw/zinc/83/92/82/1017839282.db2.gz UPYNBKIMGYBZLK-LLVKDONJSA-N -1 0 300.355 -0.417 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC001601320888 1017839445 /nfs/dbraw/zinc/83/94/45/1017839445.db2.gz FRAFHOJVYHCSHV-NSHDSACASA-N -1 0 305.290 -0.541 20 0 DBADRM O=C([O-])c1coc(CNC(=O)CN2CCS(=O)(=O)CC2)c1 ZINC001601319027 1017839493 /nfs/dbraw/zinc/83/94/93/1017839493.db2.gz KKVQZSDUIYOVDW-UHFFFAOYSA-N -1 0 316.335 -0.676 20 0 DBADRM O=C(CNC(=O)N1CCCC1)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001601322044 1017839501 /nfs/dbraw/zinc/83/95/01/1017839501.db2.gz XYYVRVMYJBXWEL-MNOVXSKESA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)N1CCCC1 ZINC001601321832 1017839647 /nfs/dbraw/zinc/83/96/47/1017839647.db2.gz UEVUYJCYXCQHOQ-JTQLQIEISA-N -1 0 309.326 -0.673 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)CNC(=O)c2ccncc2)C1(F)F ZINC001601322952 1017839954 /nfs/dbraw/zinc/83/99/54/1017839954.db2.gz IKJVTBYAIPJGFP-WPRPVWTQSA-N -1 0 313.260 -0.107 20 0 DBADRM O=C([O-])[C@@H](CCF)NC(=O)CNS(=O)(=O)c1cccnc1 ZINC001601327472 1017840416 /nfs/dbraw/zinc/84/04/16/1017840416.db2.gz NBFQVSRBIBKVDD-SECBINFHSA-N -1 0 319.314 -0.711 20 0 DBADRM O=C([O-])c1cnc(C(=O)OCC(=O)NC(=O)NC2CC2)cn1 ZINC001601336122 1017840499 /nfs/dbraw/zinc/84/04/99/1017840499.db2.gz URMUJNGNYVXUIK-UHFFFAOYSA-N -1 0 308.250 -0.680 20 0 DBADRM O=C([O-])C1(NC(=O)COC(=O)[C@]2(O)CCOC2)CCCCC1 ZINC001601330728 1017840874 /nfs/dbraw/zinc/84/08/74/1017840874.db2.gz BDMVCZAJYCUCIK-AWEZNQCLSA-N -1 0 315.322 -0.415 20 0 DBADRM O=C([O-])C1(NC(=O)CNS(=O)(=O)c2cccnc2)CCC1 ZINC001601327680 1017841045 /nfs/dbraw/zinc/84/10/45/1017841045.db2.gz RONXVSFUHZCACO-UHFFFAOYSA-N -1 0 313.335 -0.517 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)COCc2cccnc2)nn1 ZINC001601339629 1017841062 /nfs/dbraw/zinc/84/10/62/1017841062.db2.gz XHABUQFSCNLPJV-UHFFFAOYSA-N -1 0 305.294 -0.296 20 0 DBADRM O=C(COC1CCOCC1)NCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001601336327 1017841107 /nfs/dbraw/zinc/84/11/07/1017841107.db2.gz AMWMMFUKVQNSJE-GHMZBOCLSA-N -1 0 314.338 -0.865 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)Cc1c[nH]c2cnccc12 ZINC001601353487 1017841327 /nfs/dbraw/zinc/84/13/27/1017841327.db2.gz OYAYIOWYJAIVOP-GFCCVEGCSA-N -1 0 314.305 -0.034 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC001601343978 1017841442 /nfs/dbraw/zinc/84/14/42/1017841442.db2.gz IDEPLZGZWNGXOE-GFCCVEGCSA-N -1 0 322.317 -0.024 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)COc1cccc(N2CCCC2=O)c1 ZINC001601343902 1017841494 /nfs/dbraw/zinc/84/14/94/1017841494.db2.gz BDBYIKOBQZGQKL-LBPRGKRZSA-N -1 0 322.317 -0.246 20 0 DBADRM O=C(CSc1nnc2ccccn21)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001601351078 1017841499 /nfs/dbraw/zinc/84/14/99/1017841499.db2.gz AXTHDENJLNZVDD-KTLJEJPDSA-N -1 0 322.346 -0.084 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC001601360459 1017841573 /nfs/dbraw/zinc/84/15/73/1017841573.db2.gz BNIRHSNHKSDTBP-GFCCVEGCSA-N -1 0 322.317 -0.637 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)CSc2cccc[n+]2[O-])CC1 ZINC001601350133 1017841826 /nfs/dbraw/zinc/84/18/26/1017841826.db2.gz XRHSPSCCWZUWRD-UHFFFAOYSA-N -1 0 312.347 -0.150 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNC(=O)Cc1ccc(F)cn1 ZINC001601362337 1017841925 /nfs/dbraw/zinc/84/19/25/1017841925.db2.gz QAVHPHAQBSFKLV-QWRGUYRKSA-N -1 0 309.297 -0.284 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)CSc2nncs2)nn1 ZINC001601351515 1017842044 /nfs/dbraw/zinc/84/20/44/1017842044.db2.gz ZZSKNUUGOZSPJQ-UHFFFAOYSA-N -1 0 314.352 -0.264 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2ccon2)C1 ZINC001601371581 1017842516 /nfs/dbraw/zinc/84/25/16/1017842516.db2.gz TVYQSBCJJFGRGH-SASUGWTJSA-N -1 0 321.333 -0.051 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCCNC(=O)Cc1cccnc1 ZINC001601369783 1017842598 /nfs/dbraw/zinc/84/25/98/1017842598.db2.gz JHZRLHBGZRSKLJ-NWDGAFQWSA-N -1 0 305.334 -0.033 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 ZINC001601370797 1017843187 /nfs/dbraw/zinc/84/31/87/1017843187.db2.gz DMRCAMCQBXBBEG-HKLXJQGRSA-N -1 0 318.333 -0.754 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)Cc1cn2ccccc2n1 ZINC001601372229 1017843256 /nfs/dbraw/zinc/84/32/56/1017843256.db2.gz AMJXHZANHUSRMJ-NSHDSACASA-N -1 0 314.305 -0.262 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)Cc2cc[nH]n2)CC1 ZINC001601371068 1017843346 /nfs/dbraw/zinc/84/33/46/1017843346.db2.gz RPZKTLXGGHKFDX-NXEZZACHSA-N -1 0 306.322 -0.562 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)Cc2cc[nH]n2)CC1 ZINC001601371071 1017843454 /nfs/dbraw/zinc/84/34/54/1017843454.db2.gz RPZKTLXGGHKFDX-ZJUUUORDSA-N -1 0 306.322 -0.562 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)Cc2cscn2)C1 ZINC001601374860 1017843722 /nfs/dbraw/zinc/84/37/22/1017843722.db2.gz BKHBFLQSHPDUGV-WDEREUQCSA-N -1 0 323.374 -0.019 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2cnoc2)C1 ZINC001601374508 1017843769 /nfs/dbraw/zinc/84/37/69/1017843769.db2.gz YIBPBUOISXGCRH-KLHWPWHYSA-N -1 0 321.333 -0.051 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001601376338 1017844030 /nfs/dbraw/zinc/84/40/30/1017844030.db2.gz SBBHKKCMFXAWCE-LMLFDSFASA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NCCCn2ccc(=O)[nH]c2=O)c1 ZINC001601380050 1017844267 /nfs/dbraw/zinc/84/42/67/1017844267.db2.gz PWZGQWHODOJSKD-UHFFFAOYSA-N -1 0 321.293 -0.950 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NC[C@H]2CCS(=O)(=O)C2)c1 ZINC001601379750 1017844324 /nfs/dbraw/zinc/84/43/24/1017844324.db2.gz KLSXNDDGXRTGAY-MRVPVSSYSA-N -1 0 301.324 -0.868 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NCCCOc2ncccn2)c1 ZINC001601379848 1017844392 /nfs/dbraw/zinc/84/43/92/1017844392.db2.gz MFZVGNOLEYJSHN-UHFFFAOYSA-N -1 0 305.294 -0.043 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)Cn1c(=O)cnc2ccccc21 ZINC001601377161 1017844502 /nfs/dbraw/zinc/84/45/02/1017844502.db2.gz NQVGSZKOIUXXCS-IINYFYTJSA-N -1 0 317.301 -0.245 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001601376212 1017844617 /nfs/dbraw/zinc/84/46/17/1017844617.db2.gz NFLPGHGNEPVRNU-JXUBOQSCSA-N -1 0 321.337 -0.921 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)c1 ZINC001601380901 1017844827 /nfs/dbraw/zinc/84/48/27/1017844827.db2.gz KFZVDKBLLKEQDC-GHMZBOCLSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNC(=O)Cn1cc(C2CC2)cn1 ZINC001601383419 1017844933 /nfs/dbraw/zinc/84/49/33/1017844933.db2.gz GXDXOPDUIJRLFE-RYUDHWBXSA-N -1 0 320.349 -0.286 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCc2nc([C@H]3CCCO3)n[nH]2)n1 ZINC001601384966 1017844962 /nfs/dbraw/zinc/84/49/62/1017844962.db2.gz RXFPEAPUPOEPCJ-SECBINFHSA-N -1 0 320.309 -0.133 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCc2cc(=O)[nH]c(=S)[nH]2)n1 ZINC001601384864 1017845700 /nfs/dbraw/zinc/84/57/00/1017845700.db2.gz QIIZQWPVMSHGAV-UHFFFAOYSA-N -1 0 309.307 -0.318 20 0 DBADRM O=C([O-])c1cccn(CC(=O)O[C@@H]2CCN(C3CC3)C2=O)c1=O ZINC001601388838 1017845821 /nfs/dbraw/zinc/84/58/21/1017845821.db2.gz WXDATTHCQNNWEG-LLVKDONJSA-N -1 0 320.301 -0.147 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NC[C@@H](CO)[C@@H]2CCOC2)c1=O ZINC001601388759 1017845844 /nfs/dbraw/zinc/84/58/44/1017845844.db2.gz RZCCCVUTPBJAKL-MNOVXSKESA-N -1 0 324.333 -0.692 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NC[C@@H](O)c2cncs2)c1=O ZINC001601388724 1017845869 /nfs/dbraw/zinc/84/58/69/1017845869.db2.gz RGZIHEFIGSAVBZ-SECBINFHSA-N -1 0 323.330 -0.147 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCCCc2c[nH][nH]c2=O)c1=O ZINC001601387915 1017845928 /nfs/dbraw/zinc/84/59/28/1017845928.db2.gz HWUCUNSWAHWQSV-SECBINFHSA-N -1 0 320.305 -0.825 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)Cn3cccn3)C2)n1 ZINC001601389586 1017846004 /nfs/dbraw/zinc/84/60/04/1017846004.db2.gz SQMUIHVDAMCJFW-JTQLQIEISA-N -1 0 316.321 -0.234 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)Cn2cccn2)C1 ZINC001601389304 1017846121 /nfs/dbraw/zinc/84/61/21/1017846121.db2.gz JKJWLOVYRHWNCG-ZRUFSTJUSA-N -1 0 306.322 -0.633 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCC[C@@H](O)C(F)F)c1=O ZINC001601388748 1017846715 /nfs/dbraw/zinc/84/67/15/1017846715.db2.gz RVTSHCKSNXCUQY-MRVPVSSYSA-N -1 0 304.249 -0.321 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)OCC(=O)C1(C(=O)[O-])CC1 ZINC001601391541 1017846873 /nfs/dbraw/zinc/84/68/73/1017846873.db2.gz PFLSDSLPAFPZSQ-UHFFFAOYSA-N -1 0 323.305 -0.642 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCCC2)NC1(C(=O)[O-])CCC1 ZINC001601390811 1017846958 /nfs/dbraw/zinc/84/69/58/1017846958.db2.gz CMZHXDNVKYPHHA-UHFFFAOYSA-N -1 0 308.338 -0.105 20 0 DBADRM O=C([O-])c1cnc(NC(=O)Cn2ncn3nccc3c2=O)s1 ZINC001601391320 1017847028 /nfs/dbraw/zinc/84/70/28/1017847028.db2.gz JGSZXUHNIYEIRL-UHFFFAOYSA-N -1 0 320.290 -0.316 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Cn2ncc3ccccc3c2=O)C1 ZINC001601391317 1017847165 /nfs/dbraw/zinc/84/71/65/1017847165.db2.gz IZFLUZYECFTGIX-UHFFFAOYSA-N -1 0 303.274 -0.946 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)Cn2ncn3nccc3c2=O)c1 ZINC001601391026 1017847227 /nfs/dbraw/zinc/84/72/27/1017847227.db2.gz BZNNTLWENVTZCO-UHFFFAOYSA-N -1 0 314.261 -0.377 20 0 DBADRM O=C([O-])[C@@H](CC(F)F)NC(=O)Cn1ncn2nccc2c1=O ZINC001601391919 1017847409 /nfs/dbraw/zinc/84/74/09/1017847409.db2.gz WAZIMWDPBANLBY-ZCFIWIBFSA-N -1 0 315.236 -0.884 20 0 DBADRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1nc2n(n1)CCCN2 ZINC001601407420 1017847502 /nfs/dbraw/zinc/84/75/02/1017847502.db2.gz VQKWBMCNSPELLC-YFKPBYRVSA-N -1 0 307.232 -0.513 20 0 DBADRM O=C([O-])[C@H](CC(F)F)NC(=O)c1cnn(C[C@H](O)CO)c1 ZINC001601406916 1017847559 /nfs/dbraw/zinc/84/75/59/1017847559.db2.gz BCWSFQQFCWAAEF-YUMQZZPRSA-N -1 0 307.253 -0.926 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N[C@H](c2cccs2)C2CC2)C1 ZINC001601428551 1017847665 /nfs/dbraw/zinc/84/76/65/1017847665.db2.gz ZFYLLVXIQCUTRM-JTQLQIEISA-N -1 0 324.358 -0.027 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)c1cnc2n1CCOC2 ZINC001601426377 1017847685 /nfs/dbraw/zinc/84/76/85/1017847685.db2.gz YNHWAXWSBYGJSG-SECBINFHSA-N -1 0 305.294 -0.507 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)c1cc2n(n1)CCCC2=O ZINC001601425647 1017847804 /nfs/dbraw/zinc/84/78/04/1017847804.db2.gz GHAORGIACXXUOB-SNVBAGLBSA-N -1 0 317.305 -0.061 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cnc2[nH]cnc2c1 ZINC001601428171 1017847923 /nfs/dbraw/zinc/84/79/23/1017847923.db2.gz IJYBGSRKOPAMSE-SECBINFHSA-N -1 0 301.266 -0.567 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001601428645 1017848050 /nfs/dbraw/zinc/84/80/50/1017848050.db2.gz MECGYXWMWWVZFF-LDYMZIIASA-N -1 0 304.310 -0.624 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1[nH]cnc1C(F)(F)F ZINC001601428619 1017848076 /nfs/dbraw/zinc/84/80/76/1017848076.db2.gz LJFGMRAEGALDBV-YFKPBYRVSA-N -1 0 318.215 -0.097 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)CCOC1 ZINC001601430913 1017848804 /nfs/dbraw/zinc/84/88/04/1017848804.db2.gz RPPGQAPNDQLXQB-ZANVPECISA-N -1 0 317.363 -0.439 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001601438157 1017849021 /nfs/dbraw/zinc/84/90/21/1017849021.db2.gz JIJZUHIZUKIUCG-LDMBFOFVSA-N -1 0 310.350 -0.415 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2CCO)CC1 ZINC001601439546 1017849058 /nfs/dbraw/zinc/84/90/58/1017849058.db2.gz GUUKYXPVIKEVMZ-ZYHUDNBSSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)C1 ZINC001601440444 1017849172 /nfs/dbraw/zinc/84/91/72/1017849172.db2.gz PZBRTMUWXAKBGX-YFKTTZPYSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])c1nccnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001601433592 1017849222 /nfs/dbraw/zinc/84/92/22/1017849222.db2.gz IEJKLTDRIQRPNC-UHFFFAOYSA-N -1 0 319.321 -0.898 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@@H]2CCC(F)(F)C2)C1 ZINC001601436685 1017849390 /nfs/dbraw/zinc/84/93/90/1017849390.db2.gz BKTZGAHUKAGFDU-IWSPIJDZSA-N -1 0 320.292 -0.416 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N[C@H]1C[C@H]2CCCCN2C1=O ZINC001601436859 1017849511 /nfs/dbraw/zinc/84/95/11/1017849511.db2.gz IALUJGNXYNHUEX-YTWAJWBKSA-N -1 0 323.349 -0.765 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2CCO)CC1 ZINC001601439539 1017849757 /nfs/dbraw/zinc/84/97/57/1017849757.db2.gz GUUKYXPVIKEVMZ-CMPLNLGQSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2ccc(F)nc2)C1 ZINC001601447496 1017850012 /nfs/dbraw/zinc/85/00/12/1017850012.db2.gz HEHLIMZCTAKCTH-NXEZZACHSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2C[C@H](CO)[C@@H](CCO)C2)CCC1 ZINC001601725660 1017870462 /nfs/dbraw/zinc/87/04/62/1017870462.db2.gz ZNLZKTCESPCFHQ-VHSXEESVSA-N -1 0 307.368 -0.754 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC001601464956 1017851452 /nfs/dbraw/zinc/85/14/52/1017851452.db2.gz RUUOHSIOFHQYKL-SECBINFHSA-N -1 0 306.282 -0.446 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)CNC(=O)c1ccncc1 ZINC001601449953 1017851553 /nfs/dbraw/zinc/85/15/53/1017851553.db2.gz RZXMSXYJROJEDZ-JQWIXIFHSA-N -1 0 307.306 -0.752 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)c1ccc2n[nH]nc2n1)[C@H]1CCOC1 ZINC001601457331 1017851954 /nfs/dbraw/zinc/85/19/54/1017851954.db2.gz SQGCYQJUAZZMBA-YUMQZZPRSA-N -1 0 305.294 -0.180 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@@H](O)CN2CCCC2=O)ccn1 ZINC001601466535 1017851960 /nfs/dbraw/zinc/85/19/60/1017851960.db2.gz MOUTWSCOUNVCBR-SNVBAGLBSA-N -1 0 307.306 -0.507 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC[C@@H](O)CN1CCCC1=O ZINC001601466392 1017852016 /nfs/dbraw/zinc/85/20/16/1017852016.db2.gz LRKVBIMTJDGOAV-GRYCIOLGSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)c2cc[nH]c(=O)c2)CC1 ZINC001601475730 1017852400 /nfs/dbraw/zinc/85/24/00/1017852400.db2.gz HMCCCTTXFRSULH-ZJUUUORDSA-N -1 0 319.317 -0.114 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCC1(CNC(=O)c2nnc[nH]2)CC1 ZINC001601475061 1017852801 /nfs/dbraw/zinc/85/28/01/1017852801.db2.gz ZYIQEVBIQGXMRJ-RKDXNWHRSA-N -1 0 321.337 -0.458 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)c2ccccc2-n2cnnn2)CCOC1 ZINC001601472435 1017853032 /nfs/dbraw/zinc/85/30/32/1017853032.db2.gz NISGYHKXFUQEBX-AWEZNQCLSA-N -1 0 317.305 -0.117 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)NC[C@]1(O)CCOC1 ZINC001601475192 1017853062 /nfs/dbraw/zinc/85/30/62/1017853062.db2.gz HEPKJFUWVDWDCF-YMTOWFKASA-N -1 0 324.337 -0.133 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)C(=O)NC[C@H]3CCCO3)[C@@H]2C1 ZINC001601484826 1017853232 /nfs/dbraw/zinc/85/32/32/1017853232.db2.gz SZDQSDIJEMDEGO-OOCWMUITSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2cncnc2)C1 ZINC001601487711 1017853311 /nfs/dbraw/zinc/85/33/11/1017853311.db2.gz HCBYWGJYIROJHU-GHMZBOCLSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCSC1 ZINC001601486806 1017853659 /nfs/dbraw/zinc/85/36/59/1017853659.db2.gz SVDDNSNJMTZQGN-OPRDCNLKSA-N -1 0 316.379 -0.538 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2ncccn2)C1 ZINC001601487764 1017853992 /nfs/dbraw/zinc/85/39/92/1017853992.db2.gz IRBUWTNBAXVNMF-NXEZZACHSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2cncnc2)C1 ZINC001601487713 1017853999 /nfs/dbraw/zinc/85/39/99/1017853999.db2.gz HCBYWGJYIROJHU-QWRGUYRKSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC001601488792 1017854635 /nfs/dbraw/zinc/85/46/35/1017854635.db2.gz WCJUUJBXOVFHKB-IUCAKERBSA-N -1 0 306.290 -0.370 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2ncccc2O)C1 ZINC001601488689 1017854939 /nfs/dbraw/zinc/85/49/39/1017854939.db2.gz UHHACNVXCOZHRA-ZJUUUORDSA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC/C=C\CO)c2ccccc2O1 ZINC001601490718 1017855035 /nfs/dbraw/zinc/85/50/35/1017855035.db2.gz GWFJGYVFMKDVKH-MVZIDQBPSA-N -1 0 320.301 -0.470 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)C1=CCCC1 ZINC001601501611 1017855409 /nfs/dbraw/zinc/85/54/09/1017855409.db2.gz FACRUVBMZTZUQO-VXGBXAGGSA-N -1 0 310.350 -0.246 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(CCNC(=O)C2CC2)CC1 ZINC001601502319 1017855520 /nfs/dbraw/zinc/85/55/20/1017855520.db2.gz DEHMXCPCZWQLRY-OLZOCXBDSA-N -1 0 323.393 -0.232 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCCN2Cc3ccccc3C2)C1 ZINC001601502119 1017855775 /nfs/dbraw/zinc/85/57/75/1017855775.db2.gz HMGPGWMWVCAKCS-UHFFFAOYSA-N -1 0 305.334 -0.157 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCCCn2ccnc2)C1 ZINC001601498509 1017855848 /nfs/dbraw/zinc/85/58/48/1017855848.db2.gz WHGDZVJQNULYQJ-NSHDSACASA-N -1 0 308.338 -0.287 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(CCNC(=O)C2CC2)CC1 ZINC001601502320 1017856088 /nfs/dbraw/zinc/85/60/88/1017856088.db2.gz DEHMXCPCZWQLRY-QWHCGFSZSA-N -1 0 323.393 -0.232 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NCCCN1CCCS1(=O)=O ZINC001601498894 1017856108 /nfs/dbraw/zinc/85/61/08/1017856108.db2.gz QQWJYWPHJDGUHL-NXEZZACHSA-N -1 0 319.383 -0.568 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001601501024 1017856224 /nfs/dbraw/zinc/85/62/24/1017856224.db2.gz RBXTVUVDQIEQOB-ZETCQYMHSA-N -1 0 302.262 -0.939 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCCCn2ccnc2)C1 ZINC001601498508 1017856268 /nfs/dbraw/zinc/85/62/68/1017856268.db2.gz WHGDZVJQNULYQJ-LLVKDONJSA-N -1 0 308.338 -0.287 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1csc(=O)[nH]1 ZINC001601498803 1017856325 /nfs/dbraw/zinc/85/63/25/1017856325.db2.gz LMXYBWGFYXYDEY-RNFRBKRXSA-N -1 0 313.335 -0.195 20 0 DBADRM O=C([O-])c1cn(-c2cccc(NC(=O)C(=O)NCCO)c2)nn1 ZINC001601504909 1017856636 /nfs/dbraw/zinc/85/66/36/1017856636.db2.gz VXDRVUFJKSLURV-UHFFFAOYSA-N -1 0 319.277 -0.988 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)NCCN1CCNC1=S)C2 ZINC001601502565 1017856644 /nfs/dbraw/zinc/85/66/44/1017856644.db2.gz HMDZSSHWPZHYRD-ZDMBXUJBSA-N -1 0 312.395 -0.271 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCCOC(F)(F)C(F)(F)F)C1 ZINC001601504270 1017856828 /nfs/dbraw/zinc/85/68/28/1017856828.db2.gz IXGWSANROQNVQB-UHFFFAOYSA-N -1 0 322.186 -0.001 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNC(=O)c1cc2ncccn2n1 ZINC001601502903 1017856857 /nfs/dbraw/zinc/85/68/57/1017856857.db2.gz CNJKRRWMGUROLW-BDAKNGLRSA-N -1 0 317.305 -0.704 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCCO[C@@H]1CCOC1 ZINC001601504055 1017856874 /nfs/dbraw/zinc/85/68/74/1017856874.db2.gz XOJRGZWGDVHOGY-GMTAPVOTSA-N -1 0 302.327 -0.419 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1cc2ncccn2n1 ZINC001601502904 1017856968 /nfs/dbraw/zinc/85/69/68/1017856968.db2.gz CNJKRRWMGUROLW-DTWKUNHWSA-N -1 0 317.305 -0.704 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1cnc(C2CC2)nc1 ZINC001601503564 1017857062 /nfs/dbraw/zinc/85/70/62/1017857062.db2.gz NKCKTBXQIUKIBC-WDEREUQCSA-N -1 0 318.333 -0.079 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCO[C@@H]2CC2(F)F)nn1 ZINC001601504452 1017857077 /nfs/dbraw/zinc/85/70/77/1017857077.db2.gz MHHXZWAENRXMCT-MRVPVSSYSA-N -1 0 319.268 -0.300 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCN2CCC3(C2)OCCO3)c[nH]1 ZINC001601502610 1017857092 /nfs/dbraw/zinc/85/70/92/1017857092.db2.gz JPJPQLFLOTXEQV-UHFFFAOYSA-N -1 0 309.322 -0.109 20 0 DBADRM O=C(NCCO[C@H]1CC1(F)F)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001601504824 1017857228 /nfs/dbraw/zinc/85/72/28/1017857228.db2.gz SOAWANZUJMPMFZ-FXQIFTODSA-N -1 0 306.265 -0.494 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2ccns2)CCO1 ZINC001601513246 1017857800 /nfs/dbraw/zinc/85/78/00/1017857800.db2.gz LQDIUBJCXFSHID-SECBINFHSA-N -1 0 313.335 -0.886 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCCc2ccoc2)C1 ZINC001601513577 1017858359 /nfs/dbraw/zinc/85/83/59/1017858359.db2.gz SYEIYGFOVNDTMV-MNOVXSKESA-N -1 0 310.306 -0.768 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@H]2COC[C@@H]2C2CC2)nn1 ZINC001601517824 1017858393 /nfs/dbraw/zinc/85/83/93/1017858393.db2.gz OCTYGXZIKMKMDR-KOLCDFICSA-N -1 0 309.326 -0.300 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001601520795 1017858819 /nfs/dbraw/zinc/85/88/19/1017858819.db2.gz UXEXIGBTWLMRIV-NGJCXOISSA-N -1 0 300.208 -0.018 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@H](C1CCC1)[C@H]1CCOC1 ZINC001601519942 1017858980 /nfs/dbraw/zinc/85/89/80/1017858980.db2.gz KMISIWGOJKEOFT-GARJFASQSA-N -1 0 316.329 -0.153 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC001601519751 1017859189 /nfs/dbraw/zinc/85/91/89/1017859189.db2.gz DJIOPOUJLHNTOU-AXFHLTTASA-N -1 0 316.329 -0.011 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NC[C@@H]2Cc3ccccc3CO2)C1 ZINC001601520693 1017859242 /nfs/dbraw/zinc/85/92/42/1017859242.db2.gz MVJIWCXPUWXEMK-LBPRGKRZSA-N -1 0 306.318 -0.031 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001601520445 1017859401 /nfs/dbraw/zinc/85/94/01/1017859401.db2.gz QKUJSMHEAWHBJS-KZZCMQFTSA-N -1 0 300.286 -0.935 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001601520147 1017859487 /nfs/dbraw/zinc/85/94/87/1017859487.db2.gz NKEDEPSGHUYONP-SRQIZXRXSA-N -1 0 321.248 -0.252 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NC[C@@H](CO)CC2CC2)nn1 ZINC001601518949 1017859518 /nfs/dbraw/zinc/85/95/18/1017859518.db2.gz ZVDKXAKLIUCPGG-JTQLQIEISA-N -1 0 311.342 -0.316 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001601525784 1017859722 /nfs/dbraw/zinc/85/97/22/1017859722.db2.gz TZGNTFFCHBJVKJ-SASUGWTJSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001601525783 1017859749 /nfs/dbraw/zinc/85/97/49/1017859749.db2.gz TZGNTFFCHBJVKJ-KLHWPWHYSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(-n2cnnn2)cc1 ZINC001601524731 1017859756 /nfs/dbraw/zinc/85/97/56/1017859756.db2.gz DHZAEGDPAPKUAQ-ZYHUDNBSSA-N -1 0 317.305 -0.118 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CO)C[C@@H]1CCCO1 ZINC001601524357 1017859877 /nfs/dbraw/zinc/85/98/77/1017859877.db2.gz XEHTYKSPWUQFGJ-NOOOWODRSA-N -1 0 316.354 -0.295 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2csnn2)C1 ZINC001601525473 1017859918 /nfs/dbraw/zinc/85/99/18/1017859918.db2.gz LIWBFTGIGQBJER-BZNPZCIMSA-N -1 0 324.362 -0.117 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)c2cnns2)C1 ZINC001601526428 1017859925 /nfs/dbraw/zinc/85/99/25/1017859925.db2.gz AHFGRWCLQSGTAH-FNCVBFRFSA-N -1 0 324.362 -0.117 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC001601526866 1017860025 /nfs/dbraw/zinc/86/00/25/1017860025.db2.gz IXTUYBCQXKPIOZ-IYKVGLELSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001601525782 1017860274 /nfs/dbraw/zinc/86/02/74/1017860274.db2.gz TZGNTFFCHBJVKJ-IELRGYKMSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1cc[nH]c(=O)c1Br ZINC001601523662 1017860296 /nfs/dbraw/zinc/86/02/96/1017860296.db2.gz KYSDCVHBAKPPBU-YFKPBYRVSA-N -1 0 305.084 -0.275 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2ccncn2)C1 ZINC001601525167 1017860310 /nfs/dbraw/zinc/86/03/10/1017860310.db2.gz DOIFYOXFYVEDQL-ZRUFSTJUSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001601526476 1017860317 /nfs/dbraw/zinc/86/03/17/1017860317.db2.gz CLXQKSYOPKHMGQ-DDHJBXDOSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@]1(O)CCSC1 ZINC001601524836 1017860449 /nfs/dbraw/zinc/86/04/49/1017860449.db2.gz HENNIRKJUURDBZ-LNLATYFQSA-N -1 0 304.368 -0.357 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC001601526867 1017860462 /nfs/dbraw/zinc/86/04/62/1017860462.db2.gz IXTUYBCQXKPIOZ-LZQZFOIKSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NCc1cn(C2CC2)c(=O)[nH]c1=O ZINC001601546434 1017860806 /nfs/dbraw/zinc/86/08/06/1017860806.db2.gz HUJJSIRWWQDGOM-GMSGAONNSA-N -1 0 322.321 -0.196 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC001601526955 1017860969 /nfs/dbraw/zinc/86/09/69/1017860969.db2.gz LGVVXAGYZHSCGB-IWSPIJDZSA-N -1 0 320.292 -0.294 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCc2ncsc2C1 ZINC001601527256 1017861141 /nfs/dbraw/zinc/86/11/41/1017861141.db2.gz VPFZKFGBZOVSAQ-HTQZYQBOSA-N -1 0 309.347 -0.135 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC001601526980 1017861178 /nfs/dbraw/zinc/86/11/78/1017861178.db2.gz MFJJEOOBYZWMCD-KXUCPTDWSA-N -1 0 316.379 -0.850 20 0 DBADRM O=C([O-])c1occc1CNC(=O)c1cnn(C[C@H](O)CO)c1 ZINC001601546792 1017861209 /nfs/dbraw/zinc/86/12/09/1017861209.db2.gz QVVVPNGYYFTRLC-JTQLQIEISA-N -1 0 309.278 -0.543 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N(CCO)Cc1ccccc1 ZINC001601527207 1017861228 /nfs/dbraw/zinc/86/12/28/1017861228.db2.gz UACKWHVEHHUMQC-CHWSQXEVSA-N -1 0 320.345 -0.156 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001601573806 1017862484 /nfs/dbraw/zinc/86/24/84/1017862484.db2.gz LLWNINOPGZHWEC-LMLFDSFASA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)N1CCC3(COC3)C1)C2 ZINC001601573284 1017862642 /nfs/dbraw/zinc/86/26/42/1017862642.db2.gz DWMOMJMRFMQUTB-FTGAXOIBSA-N -1 0 308.334 -0.395 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)N[C@H]3CCOC3)CC2)CCOC1 ZINC001601569525 1017862649 /nfs/dbraw/zinc/86/26/49/1017862649.db2.gz BGCKDISAMOVKEL-SMDDNHRTSA-N -1 0 313.354 -0.654 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ncccn2)C1 ZINC001601573890 1017862678 /nfs/dbraw/zinc/86/26/78/1017862678.db2.gz NNBLKXHRYSLLGI-RGOKHQFPSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)c2nnc[nH]2)CC1 ZINC001601571004 1017862780 /nfs/dbraw/zinc/86/27/80/1017862780.db2.gz UTNRGPISKIKGNM-ZYUZMQFOSA-N -1 0 321.337 -0.317 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CC(OCC(F)F)C1 ZINC001601571179 1017863002 /nfs/dbraw/zinc/86/30/02/1017863002.db2.gz HPJKOZUPPRXDDI-KNVOCYPGSA-N -1 0 306.265 -0.542 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2ccnnc2)C1 ZINC001601574455 1017863262 /nfs/dbraw/zinc/86/32/62/1017863262.db2.gz WACBSODADDGUPN-IELRGYKMSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2ccnnc2)C1 ZINC001601574458 1017863269 /nfs/dbraw/zinc/86/32/69/1017863269.db2.gz WACBSODADDGUPN-ZDDJMSTPSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])c1c(NC(=O)c2cn3c(n2)CCC3)[nH]nc1OCCO ZINC001601578790 1017863465 /nfs/dbraw/zinc/86/34/65/1017863465.db2.gz DFTMVRQENIUTEO-UHFFFAOYSA-N -1 0 321.293 -0.126 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)C(=O)N3CC[C@]34CCOC4)[C@@H]2C1 ZINC001601578722 1017863544 /nfs/dbraw/zinc/86/35/44/1017863544.db2.gz XVBFBFCRDTXCDK-OYFAQSGBSA-N -1 0 322.361 -0.007 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccn1 ZINC001601578599 1017863665 /nfs/dbraw/zinc/86/36/65/1017863665.db2.gz QPVIXALSIZNQHC-XXFSISAASA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])c1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCNC1=O ZINC001601605422 1017863882 /nfs/dbraw/zinc/86/38/82/1017863882.db2.gz SZRUVXNSTNIBTE-VIFPVBQESA-N -1 0 309.253 -0.533 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1O ZINC001601596657 1017863906 /nfs/dbraw/zinc/86/39/06/1017863906.db2.gz OFIPQKALRMQNPM-IJLUTSLNSA-N -1 0 309.274 -0.558 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)c1ccc2[nH]c(CO)nc2c1 ZINC001601577862 1017864159 /nfs/dbraw/zinc/86/41/59/1017864159.db2.gz GCJBITOFJDIFHX-XZWHAEGMSA-N -1 0 305.290 -0.237 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnns1 ZINC001601578141 1017864184 /nfs/dbraw/zinc/86/41/84/1017864184.db2.gz JHAUVPQEEMVXIU-UFNQKSLJSA-N -1 0 322.346 -0.555 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)C(=O)N(CCO)C3CC3)[C@@H]2C1 ZINC001601577959 1017864246 /nfs/dbraw/zinc/86/42/46/1017864246.db2.gz SISWDLQUHLIRDA-IQIPOGNMSA-N -1 0 310.350 -0.415 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(F)cn1 ZINC001601606230 1017864654 /nfs/dbraw/zinc/86/46/54/1017864654.db2.gz GUSYYMNGLNFQPK-SCZZXKLOSA-N -1 0 311.269 -0.404 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001601656372 1017864798 /nfs/dbraw/zinc/86/47/98/1017864798.db2.gz GTDPIOZDCNHXJU-QWHCGFSZSA-N -1 0 308.334 -0.551 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)C1(O)CCSCC1 ZINC001601646767 1017865002 /nfs/dbraw/zinc/86/50/02/1017865002.db2.gz XPDAFJNROWSXGP-QMMMGPOBSA-N -1 0 305.352 -0.423 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001601655522 1017865016 /nfs/dbraw/zinc/86/50/16/1017865016.db2.gz NGUCBOBUGCFFLZ-PRJMDXOYSA-N -1 0 315.244 -0.468 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001601651433 1017865382 /nfs/dbraw/zinc/86/53/82/1017865382.db2.gz VKSFJTNKNPJEMK-CBAPKCEASA-N -1 0 317.298 -0.745 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001601664175 1017866315 /nfs/dbraw/zinc/86/63/15/1017866315.db2.gz ZXQNNKFTBXGAKD-QWRGUYRKSA-N -1 0 321.337 -0.752 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@@H]1CSCCS1 ZINC001601663004 1017866469 /nfs/dbraw/zinc/86/64/69/1017866469.db2.gz MUPXQVCXXUXKQV-YUMQZZPRSA-N -1 0 302.381 -0.304 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001601662287 1017866594 /nfs/dbraw/zinc/86/65/94/1017866594.db2.gz IBGRIQPMGSUGGC-TUAOUCFPSA-N -1 0 308.338 -0.090 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCCCS1(=O)=O ZINC001601662523 1017866670 /nfs/dbraw/zinc/86/66/70/1017866670.db2.gz IRXSJOXLONIMRU-NXEZZACHSA-N -1 0 315.351 -0.580 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001601662203 1017866713 /nfs/dbraw/zinc/86/67/13/1017866713.db2.gz GUKPJEDWHFEISM-KWQFWETISA-N -1 0 304.310 -0.309 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)N2CC[C@@H](CF)C2)CC1 ZINC001601680733 1017866734 /nfs/dbraw/zinc/86/67/34/1017866734.db2.gz LPVCYRKJFASQON-GXSJLCMTSA-N -1 0 316.329 -0.512 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001601682038 1017866817 /nfs/dbraw/zinc/86/68/17/1017866817.db2.gz SFUYMEXJMIXRPS-NXEZZACHSA-N -1 0 320.367 -0.959 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC001601684403 1017867087 /nfs/dbraw/zinc/86/70/87/1017867087.db2.gz LAKNPRDUFKCNDP-JTQLQIEISA-N -1 0 307.310 -0.925 20 0 DBADRM O=C([O-])C1(C(=O)COC(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC001601697898 1017867153 /nfs/dbraw/zinc/86/71/53/1017867153.db2.gz PEMXBGUUSOCMBX-UHFFFAOYSA-N -1 0 324.293 -0.844 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC1 ZINC001601710658 1017867311 /nfs/dbraw/zinc/86/73/11/1017867311.db2.gz CAJJMSVUBODHMJ-SECBINFHSA-N -1 0 315.351 -0.012 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCO[C@@]3(CCOC3)C2)CC1 ZINC001601712067 1017868492 /nfs/dbraw/zinc/86/84/92/1017868492.db2.gz PGGLDQQVSYIGQY-LBPRGKRZSA-N -1 0 305.352 -0.328 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCN(CCCO)CC2)CCC1 ZINC001601713077 1017868674 /nfs/dbraw/zinc/86/86/74/1017868674.db2.gz WVVKSGVUMIYCRJ-UHFFFAOYSA-N -1 0 320.411 -0.429 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCCO[C@@H]2CCOC2)CC1 ZINC001601716629 1017868699 /nfs/dbraw/zinc/86/86/99/1017868699.db2.gz YIGZFFSPINXISF-SNVBAGLBSA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])[C@]1(O)CCN(c2cc(N3CCCC[C@H]3CO)ncn2)C1 ZINC001601723016 1017870290 /nfs/dbraw/zinc/87/02/90/1017870290.db2.gz SDUFDMBMOURCNW-NHYWBVRUSA-N -1 0 322.365 -0.146 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)c2cnc3n2CCCC3)CCOC1 ZINC001601724105 1017870468 /nfs/dbraw/zinc/87/04/68/1017870468.db2.gz XAEKSWMTJNBHOT-GFCCVEGCSA-N -1 0 315.351 -0.259 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC001601735547 1017870787 /nfs/dbraw/zinc/87/07/87/1017870787.db2.gz SCYYQDRUKUPSAX-BDAKNGLRSA-N -1 0 308.294 -0.895 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001601738208 1017870856 /nfs/dbraw/zinc/87/08/56/1017870856.db2.gz UJHWLTXSBRYDOH-ZETCQYMHSA-N -1 0 302.237 -0.277 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(C(=O)C(=O)NCC1CC1)CC2 ZINC001601738710 1017870984 /nfs/dbraw/zinc/87/09/84/1017870984.db2.gz HVVFUSDCASESRD-UHFFFAOYSA-N -1 0 309.322 -0.265 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)C2)C1 ZINC001601738784 1017871192 /nfs/dbraw/zinc/87/11/92/1017871192.db2.gz JGYOACPRGMNVKV-HHFXWNNXSA-N -1 0 321.333 -0.267 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]3COC[C@@H]32)C1 ZINC001601737699 1017871301 /nfs/dbraw/zinc/87/13/01/1017871301.db2.gz UCFCZEGAYKGKJK-UTUOFQBUSA-N -1 0 308.334 -0.087 20 0 DBADRM O=C([O-])C12CC(C(=O)NCCS(=O)(=O)N3CCCC3)(C1)C2 ZINC001601728942 1017871315 /nfs/dbraw/zinc/87/13/15/1017871315.db2.gz RQGHFGSPOLKPIQ-UHFFFAOYSA-N -1 0 316.379 -0.217 20 0 DBADRM O=C([O-])C1=CC[C@H](NS(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC001601739775 1017871659 /nfs/dbraw/zinc/87/16/59/1017871659.db2.gz BWZILWDSRHDLOL-GXSJLCMTSA-N -1 0 314.363 -0.158 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)Cn3cc(C4CC4)nn3)C2)C1 ZINC001601741169 1017871783 /nfs/dbraw/zinc/87/17/83/1017871783.db2.gz ISBDMMCTRLKGKM-AWEZNQCLSA-N -1 0 319.321 -0.013 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)Cc1nc2ncccn2n1 ZINC001601749975 1017872183 /nfs/dbraw/zinc/87/21/83/1017872183.db2.gz GKAXISBUYKVIND-KCJUWKMLSA-N -1 0 305.294 -0.897 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)CS(=O)(=O)C3CC3)C2)C1 ZINC001601741264 1017872336 /nfs/dbraw/zinc/87/23/36/1017872336.db2.gz JDTFLKMGNIRACF-GFCCVEGCSA-N -1 0 316.335 -0.604 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(S(=O)(=O)C[C@H]3CCCO3)C2)C1 ZINC001601745078 1017872533 /nfs/dbraw/zinc/87/25/33/1017872533.db2.gz VKVUUFRCDUJBJQ-BXKDBHETSA-N -1 0 318.351 -0.199 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1Cc1nnnn1CC(F)(F)F ZINC001601753584 1017872717 /nfs/dbraw/zinc/87/27/17/1017872717.db2.gz MFEUPTBCDDBFAP-POYBYMJQSA-N -1 0 309.248 -0.355 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1Cc1nnnn1CC(F)(F)F ZINC001601753583 1017872764 /nfs/dbraw/zinc/87/27/64/1017872764.db2.gz MFEUPTBCDDBFAP-HTRCEHHLSA-N -1 0 309.248 -0.355 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CC[C@H](CN3CCCC3=O)C2)C1 ZINC001601758519 1017873135 /nfs/dbraw/zinc/87/31/35/1017873135.db2.gz CAQABKCFMYHEIP-NWDGAFQWSA-N -1 0 309.366 -0.179 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001601757524 1017873416 /nfs/dbraw/zinc/87/34/16/1017873416.db2.gz HCKALLCMXNOEQP-IUCAKERBSA-N -1 0 306.278 -0.286 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001601758373 1017873918 /nfs/dbraw/zinc/87/39/18/1017873918.db2.gz PSRRTFVMBAEDJW-DTWKUNHWSA-N -1 0 306.278 -0.286 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001601757802 1017873948 /nfs/dbraw/zinc/87/39/48/1017873948.db2.gz XXSPOARJBIXHAG-UHTWSYAYSA-N -1 0 310.354 -0.276 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CCN(c3ncccn3)CC2)C1 ZINC001601758657 1017873963 /nfs/dbraw/zinc/87/39/63/1017873963.db2.gz CYYFRMLMFLBTLD-NSHDSACASA-N -1 0 305.338 -0.511 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1ccc(-n2cncn2)nc1 ZINC001601757329 1017873986 /nfs/dbraw/zinc/87/39/86/1017873986.db2.gz GLWJHXVTNPRSHR-PWSUYJOCSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001601758151 1017874021 /nfs/dbraw/zinc/87/40/21/1017874021.db2.gz MCUIDCGBEZLZJD-WPRPVWTQSA-N -1 0 306.278 -0.515 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1ccc(-n2cnnn2)cn1 ZINC001601758817 1017874043 /nfs/dbraw/zinc/87/40/43/1017874043.db2.gz UTMQKVXGGDBWMB-MNOVXSKESA-N -1 0 318.293 -0.893 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCC2CC3(C2)OCCO3)C1 ZINC001601763242 1017874229 /nfs/dbraw/zinc/87/42/29/1017874229.db2.gz OTCKPOLJSSUWSA-GHMZBOCLSA-N -1 0 314.338 -0.384 20 0 DBADRM O=C([O-])C1CC(NS(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC001601760226 1017874469 /nfs/dbraw/zinc/87/44/69/1017874469.db2.gz INPVAYDWUONFNY-UHFFFAOYSA-N -1 0 320.367 -0.477 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC[C@H](F)C2)C1 ZINC001601761054 1017874821 /nfs/dbraw/zinc/87/48/21/1017874821.db2.gz ZBCSIJQINNPGEN-UTLUCORTSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001601761927 1017874947 /nfs/dbraw/zinc/87/49/47/1017874947.db2.gz AXAHSYTWVXZQNL-DTWKUNHWSA-N -1 0 318.293 -0.831 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC001601764725 1017875015 /nfs/dbraw/zinc/87/50/15/1017875015.db2.gz ISCSWQNHNHUKCA-RNJOBUHISA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCCCO[C@@H]2CCOC2)C1 ZINC001601763247 1017875031 /nfs/dbraw/zinc/87/50/31/1017875031.db2.gz OTCOBLMAXPAROI-IJLUTSLNSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)NCc2nnc3n2CCC3)C1 ZINC001601766855 1017875329 /nfs/dbraw/zinc/87/53/29/1017875329.db2.gz XKAOBRWWMPTBDR-IUCAKERBSA-N -1 0 309.326 -0.799 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001601766864 1017875529 /nfs/dbraw/zinc/87/55/29/1017875529.db2.gz VFFCFDZSXQCSFC-TUAOUCFPSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 ZINC001601765242 1017875648 /nfs/dbraw/zinc/87/56/48/1017875648.db2.gz WVVIAJJVBLRWKO-VWYCJHECSA-N -1 0 308.338 -0.256 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001601765640 1017875690 /nfs/dbraw/zinc/87/56/90/1017875690.db2.gz PTOYABOHKKYVMJ-UWVGGRQHSA-N -1 0 320.305 -0.173 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCc2nnc3n2CCCC3)C1 ZINC001601765724 1017875796 /nfs/dbraw/zinc/87/57/96/1017875796.db2.gz UVTISPHRLFBLQV-NXEZZACHSA-N -1 0 323.353 -0.409 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)CN2C(=O)Cc3ccccc32)C1 ZINC001601768328 1017875943 /nfs/dbraw/zinc/87/59/43/1017875943.db2.gz UKIITJTYMRWWMW-RYUDHWBXSA-N -1 0 318.329 -0.130 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)CCOC[C@@H]2CCCO2)C1 ZINC001601767489 1017876002 /nfs/dbraw/zinc/87/60/02/1017876002.db2.gz RKBRKURIHYELCO-WOPDTQHZSA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 ZINC001601765240 1017876067 /nfs/dbraw/zinc/87/60/67/1017876067.db2.gz WVVIAJJVBLRWKO-OUAUKWLOSA-N -1 0 308.338 -0.256 20 0 DBADRM CC[C@H](CNC(C)=O)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001498857448 1017876238 /nfs/dbraw/zinc/87/62/38/1017876238.db2.gz QYQWPFAVFZHUJU-SECBINFHSA-N -1 0 306.326 -0.898 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001601769190 1017876401 /nfs/dbraw/zinc/87/64/01/1017876401.db2.gz YLUMPSLHMPPDAG-HBNTYKKESA-N -1 0 319.379 -0.505 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(C(=O)C(=O)N1C[C@@H]3COC[C@@H]3C1)CC2 ZINC001601774204 1017876613 /nfs/dbraw/zinc/87/66/13/1017876613.db2.gz WYAHVJFTWOTMFO-GRYCIOLGSA-N -1 0 322.361 -0.196 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC1 ZINC001601775964 1017876899 /nfs/dbraw/zinc/87/68/99/1017876899.db2.gz PINBFKXCCGZCTO-YVECIDJPSA-N -1 0 321.377 -0.385 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN1CC1=NS(=O)(=O)c2ccccc21 ZINC001601774364 1017876923 /nfs/dbraw/zinc/87/69/23/1017876923.db2.gz XOHITZPGHWCLFW-KWQFWETISA-N -1 0 310.331 -0.302 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001601775859 1017877180 /nfs/dbraw/zinc/87/71/80/1017877180.db2.gz MJDLNVMTBHIKBL-QWQWKMKNSA-N -1 0 324.377 -0.310 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001601775857 1017877320 /nfs/dbraw/zinc/87/73/20/1017877320.db2.gz MJDLNVMTBHIKBL-CKIKVBCHSA-N -1 0 324.377 -0.310 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN1CC1=NS(=O)(=O)c2ccccc21 ZINC001601774362 1017877328 /nfs/dbraw/zinc/87/73/28/1017877328.db2.gz XOHITZPGHWCLFW-GZMMTYOYSA-N -1 0 310.331 -0.302 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1cnon1)C2 ZINC001601775320 1017877523 /nfs/dbraw/zinc/87/75/23/1017877523.db2.gz AQMOEZPCURBZPV-RKDXNWHRSA-N -1 0 320.305 -0.535 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC001601772504 1017877531 /nfs/dbraw/zinc/87/75/31/1017877531.db2.gz KONYBYIRPUPEMH-QNWHQSFQSA-N -1 0 312.366 -0.324 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N(CCO)CCNCc1nccs1 ZINC001601776108 1017877540 /nfs/dbraw/zinc/87/75/40/1017877540.db2.gz SNJJUCMLJRVGRJ-UWVGGRQHSA-N -1 0 313.379 -0.226 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2ccnnc2)CC1 ZINC001601776780 1017877760 /nfs/dbraw/zinc/87/77/60/1017877760.db2.gz CFKJJVIPZUEJNR-NWDGAFQWSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(CCOC2CCC2)C1 ZINC001601777076 1017877787 /nfs/dbraw/zinc/87/77/87/1017877787.db2.gz CTTKYFFVZKSCLH-NWDGAFQWSA-N -1 0 312.366 -0.561 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2cnns2)CC1 ZINC001601776528 1017877947 /nfs/dbraw/zinc/87/79/47/1017877947.db2.gz ALZDCMIYTTXDFC-DTWKUNHWSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001601776992 1017877981 /nfs/dbraw/zinc/87/79/81/1017877981.db2.gz BFWUEWXXNZEAQE-GHMZBOCLSA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]c1 ZINC001601776136 1017878599 /nfs/dbraw/zinc/87/85/99/1017878599.db2.gz SUHDKXDIQMSYLH-WRWGMCAJSA-N -1 0 318.333 -0.054 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)CC2(O)CCC2)CC1 ZINC001601776659 1017878638 /nfs/dbraw/zinc/87/86/38/1017878638.db2.gz DAPUDDWBUIHTPH-GHMZBOCLSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)COC2CCCC2)C1 ZINC001601776788 1017878662 /nfs/dbraw/zinc/87/86/62/1017878662.db2.gz CGQMBVAIQNJFFQ-NWDGAFQWSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cn[nH]c3)C[C@H]21 ZINC001601777813 1017878886 /nfs/dbraw/zinc/87/88/86/1017878886.db2.gz ALSSYFCOTGOXPU-OGBGREFGSA-N -1 0 304.306 -0.683 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cnn(CCF)c2)C1 ZINC001601778006 1017879176 /nfs/dbraw/zinc/87/91/76/1017879176.db2.gz HKDUGAXFDXFOMI-WDEREUQCSA-N -1 0 324.312 -0.486 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001601777499 1017879387 /nfs/dbraw/zinc/87/93/87/1017879387.db2.gz HUJREIPRGWVSNM-NEPJUHHUSA-N -1 0 320.349 -0.266 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnsn3)C[C@H]21 ZINC001601778310 1017879709 /nfs/dbraw/zinc/87/97/09/1017879709.db2.gz BUTCKAXIJIRAFE-KUIGQIJESA-N -1 0 322.346 -0.555 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2ccncn2)CC1 ZINC001601777186 1017879737 /nfs/dbraw/zinc/87/97/37/1017879737.db2.gz DMUAURSOPBQIRF-WDEREUQCSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cccnn2)CC1 ZINC001601777208 1017879838 /nfs/dbraw/zinc/87/98/38/1017879838.db2.gz GKRQLYZWBTUGGK-UWVGGRQHSA-N -1 0 304.306 -0.518 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(OC2CN(CCO)C2)CC1 ZINC001601779641 1017880301 /nfs/dbraw/zinc/88/03/01/1017880301.db2.gz PSAPNPRKWZKUON-QWHCGFSZSA-N -1 0 312.366 -0.609 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3csnn3)C[C@H]21 ZINC001601778940 1017880368 /nfs/dbraw/zinc/88/03/68/1017880368.db2.gz FKJPGNMMZNSPSF-BGJNVIQHSA-N -1 0 322.346 -0.555 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(OC2CN(CCO)C2)CC1 ZINC001601779642 1017880545 /nfs/dbraw/zinc/88/05/45/1017880545.db2.gz PSAPNPRKWZKUON-STQMWFEESA-N -1 0 312.366 -0.609 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)Cc2cncnc2)C1 ZINC001601781221 1017881346 /nfs/dbraw/zinc/88/13/46/1017881346.db2.gz OAVXFKQLEBGLIO-RYUDHWBXSA-N -1 0 318.333 -0.686 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2ccnnc2)C1 ZINC001601781267 1017881527 /nfs/dbraw/zinc/88/15/27/1017881527.db2.gz OJYRUEVRSWLGRY-MNOVXSKESA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CCOCC3)C[C@H]21 ZINC001601781358 1017881583 /nfs/dbraw/zinc/88/15/83/1017881583.db2.gz NTFKOKLUCULLFF-JZRPKSSGSA-N -1 0 320.345 -0.373 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)Cc2cc[nH]n2)C1 ZINC001601780733 1017881610 /nfs/dbraw/zinc/88/16/10/1017881610.db2.gz MPTAZGZXXDDEIW-QWRGUYRKSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NCc2nnnn2C2CC2)C1 ZINC001601782418 1017882382 /nfs/dbraw/zinc/88/23/82/1017882382.db2.gz QBERIPDBIHWOPI-YJFSRANCSA-N -1 0 320.353 -0.535 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)Cc2ccon2)CC1 ZINC001601782772 1017882574 /nfs/dbraw/zinc/88/25/74/1017882574.db2.gz YNBDQGKDLSDNEZ-NEPJUHHUSA-N -1 0 321.333 -0.001 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)C2=COCCO2)CC1 ZINC001601781749 1017882692 /nfs/dbraw/zinc/88/26/92/1017882692.db2.gz SXLANGQHLALXTM-GHMZBOCLSA-N -1 0 324.333 -0.298 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1nc(CNCCF)cc(=O)[nH]1 ZINC001601783217 1017882737 /nfs/dbraw/zinc/88/27/37/1017882737.db2.gz SNKJAZYPQXRYJT-BDAKNGLRSA-N -1 0 312.301 -0.422 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2cscn2)C1 ZINC001601783185 1017883132 /nfs/dbraw/zinc/88/31/32/1017883132.db2.gz WFZJMCMLOTVJSJ-UWVGGRQHSA-N -1 0 311.363 -0.473 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)c1ccc[nH]1 ZINC001601783106 1017883404 /nfs/dbraw/zinc/88/34/04/1017883404.db2.gz SQWMVSRRABADPH-UWVGGRQHSA-N -1 0 309.322 -0.714 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)N2C1 ZINC001601798271 1017883720 /nfs/dbraw/zinc/88/37/20/1017883720.db2.gz MMELEBLWWTVRRB-HLTSFMKQSA-N -1 0 316.335 -0.699 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2ccncn2)C1 ZINC001601784319 1017883883 /nfs/dbraw/zinc/88/38/83/1017883883.db2.gz VEWCXJKWJLADQC-NXEZZACHSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3cnoc3)C[C@H]21 ZINC001601784647 1017883912 /nfs/dbraw/zinc/88/39/12/1017883912.db2.gz WAEBRCMFUIOMET-YFVNTRNASA-N -1 0 319.317 -0.489 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001601785590 1017884065 /nfs/dbraw/zinc/88/40/65/1017884065.db2.gz YTQFRVGRUXMILD-KVSVUVNWSA-N -1 0 304.350 -0.350 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@]1(O)CCOC1 ZINC001601810092 1017885188 /nfs/dbraw/zinc/88/51/88/1017885188.db2.gz KKFOMMOKNIOWBS-CKYFFXLPSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCC[C@H]2c2nc[nH]n2)C1=O ZINC001601817066 1017885195 /nfs/dbraw/zinc/88/51/95/1017885195.db2.gz DIQHDTYOUJPOBR-UWVGGRQHSA-N -1 0 321.337 -0.209 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCN(CCO)CC1 ZINC001601808894 1017885376 /nfs/dbraw/zinc/88/53/76/1017885376.db2.gz PFFLGRKIQPSUPL-VXGBXAGGSA-N -1 0 320.411 -0.431 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)NCCN1CCOCC1 ZINC001601808970 1017885526 /nfs/dbraw/zinc/88/55/26/1017885526.db2.gz CVJKUGYFFRLWPC-VXGBXAGGSA-N -1 0 320.411 -0.119 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC[C@@](O)(C(F)F)C2)C1=O ZINC001601818372 1017885728 /nfs/dbraw/zinc/88/57/28/1017885728.db2.gz LSSNKXXHNIDNLW-SDBXPKJASA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)C1=O ZINC001601818230 1017885791 /nfs/dbraw/zinc/88/57/91/1017885791.db2.gz PYXSHHRRQPHVAD-RNJOBUHISA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)C1 ZINC001601819866 1017885863 /nfs/dbraw/zinc/88/58/63/1017885863.db2.gz HIXIOKQABZZCCS-GMTAPVOTSA-N -1 0 306.322 -0.651 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2Cc3cncnc3C2)C1=O ZINC001601818096 1017885995 /nfs/dbraw/zinc/88/59/95/1017885995.db2.gz ORQYXVSNPSRHSQ-SNVBAGLBSA-N -1 0 304.306 -0.358 20 0 DBADRM O=C([O-])C1CCN(C(=O)COC(=O)[C@@]2(F)CCOC2)CC1 ZINC001601822976 1017886054 /nfs/dbraw/zinc/88/60/54/1017886054.db2.gz RWWASBMZPZPSIJ-CYBMUJFWSA-N -1 0 303.286 -0.019 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@H](O)[C@@H](F)C2)C1=O ZINC001601817835 1017886112 /nfs/dbraw/zinc/88/61/12/1017886112.db2.gz HPBHAZVRUSBNKQ-UTLUCORTSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)C1 ZINC001601819871 1017886154 /nfs/dbraw/zinc/88/61/54/1017886154.db2.gz HIXIOKQABZZCCS-VWYCJHECSA-N -1 0 306.322 -0.651 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCCn3nccc32)C1=O ZINC001601818776 1017886189 /nfs/dbraw/zinc/88/61/89/1017886189.db2.gz PQZSBFOFKLPBGK-SNVBAGLBSA-N -1 0 306.322 -0.057 20 0 DBADRM O=C([O-])C1CCN(C(=O)COn2nnc3cccnc32)CC1 ZINC001601822983 1017886366 /nfs/dbraw/zinc/88/63/66/1017886366.db2.gz SAGVXWOLSVPZGU-UHFFFAOYSA-N -1 0 305.294 -0.422 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC[C@](O)(C(F)F)C2)C1=O ZINC001601818370 1017886621 /nfs/dbraw/zinc/88/66/21/1017886621.db2.gz LSSNKXXHNIDNLW-ISVAXAHUSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@H]1CCN1C(=O)CNS(=O)(=O)c1ccccc1F ZINC001601834515 1017886781 /nfs/dbraw/zinc/88/67/81/1017886781.db2.gz OLQOQPJFMWXDSD-SECBINFHSA-N -1 0 316.310 -0.211 20 0 DBADRM O=C([O-])[C@H]1CCS(=O)(=O)N1Cc1noc2c1COCC2 ZINC001601837055 1017886866 /nfs/dbraw/zinc/88/68/66/1017886866.db2.gz DPBFDZVZTVHAPI-SECBINFHSA-N -1 0 302.308 -0.264 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCC[C@@H]3CCNC(=O)[C@H]32)CC1 ZINC001601823477 1017887447 /nfs/dbraw/zinc/88/74/47/1017887447.db2.gz QTHWLQMBGWKCHM-RISCZKNCSA-N -1 0 323.393 -0.090 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CCn2cnnn2)c2ccccc2O1 ZINC001601843104 1017888094 /nfs/dbraw/zinc/88/80/94/1017888094.db2.gz KLJSKOJJUBRICF-LLVKDONJSA-N -1 0 303.278 -0.058 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2CCC[C@H]2CCOC2)CCO1 ZINC001601850970 1017888290 /nfs/dbraw/zinc/88/82/90/1017888290.db2.gz SGUXETITIYPFEN-QWRGUYRKSA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2Cc2cccc(F)n2)CCO1 ZINC001601850446 1017888657 /nfs/dbraw/zinc/88/86/57/1017888657.db2.gz NZIYLJOCMGXSFX-SECBINFHSA-N -1 0 308.273 -0.455 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCc1ccccn1 ZINC001601854069 1017889215 /nfs/dbraw/zinc/88/92/15/1017889215.db2.gz NFOLRTZEPZPEOS-LLVKDONJSA-N -1 0 312.347 -0.276 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCCCS1 ZINC001601853768 1017889359 /nfs/dbraw/zinc/88/93/59/1017889359.db2.gz QOHFRAACTKMWJZ-RKDXNWHRSA-N -1 0 307.393 -0.018 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@]1(C2CCCC2)CCNC1=O ZINC001601853339 1017889686 /nfs/dbraw/zinc/88/96/86/1017889686.db2.gz WCTFIERTLREDIG-NHYWBVRUSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(F)c[nH]c1=O ZINC001601854112 1017889742 /nfs/dbraw/zinc/88/97/42/1017889742.db2.gz PLFKIPPHECPINY-QMMMGPOBSA-N -1 0 318.282 -0.750 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1coc(CO)c1 ZINC001601854433 1017890266 /nfs/dbraw/zinc/89/02/66/1017890266.db2.gz HSQZBVYMZOHZGL-SECBINFHSA-N -1 0 303.292 -0.904 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc2nc[nH]c21 ZINC001601854239 1017890575 /nfs/dbraw/zinc/89/05/75/1017890575.db2.gz XNEUGAYLJONJOU-JTQLQIEISA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ocnc1C1CC1 ZINC001601854368 1017890585 /nfs/dbraw/zinc/89/05/85/1017890585.db2.gz DTAWOHOEKPLDFF-QMMMGPOBSA-N -1 0 314.319 -0.124 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)N2CCS(=O)(=O)CC2)C1 ZINC001601855881 1017890587 /nfs/dbraw/zinc/89/05/87/1017890587.db2.gz JKHDQMGKKKXKPG-VIFPVBQESA-N -1 0 322.408 -0.414 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cn2ccccc2n1 ZINC001601854777 1017890689 /nfs/dbraw/zinc/89/06/89/1017890689.db2.gz ZRXCRPJVDNWXLE-JTQLQIEISA-N -1 0 323.330 -0.342 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)C1CC1 ZINC001601889472 1017891117 /nfs/dbraw/zinc/89/11/17/1017891117.db2.gz DYQSWQYGTIZKQL-LPEHRKFASA-N -1 0 309.322 -0.599 20 0 DBADRM O=C([O-])/C=C/c1ccc(S(=O)(=O)N[C@H]2CCNC2=O)cc1 ZINC001601885975 1017891143 /nfs/dbraw/zinc/89/11/43/1017891143.db2.gz QWZQFUVZRPNYQM-GQOHGMTASA-N -1 0 310.331 -0.049 20 0 DBADRM O=C([O-])/C=C/c1ccc(C(=O)NC[C@@H](O)Cn2ccnn2)o1 ZINC001601877203 1017891539 /nfs/dbraw/zinc/89/15/39/1017891539.db2.gz WIUTURMESCDFQL-HDMKULJXSA-N -1 0 306.278 -0.240 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)c1ccc(N2CCOCC2)nc1 ZINC001601911738 1017891948 /nfs/dbraw/zinc/89/19/48/1017891948.db2.gz YYZJFHCNMMRRGQ-NSHDSACASA-N -1 0 309.322 -0.516 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)CCCC1CCOCC1 ZINC001601912728 1017892267 /nfs/dbraw/zinc/89/22/67/1017892267.db2.gz MFDBGMYEOJDADS-NSHDSACASA-N -1 0 309.384 -0.052 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1cccc2c1OCO2 ZINC001601908987 1017892350 /nfs/dbraw/zinc/89/23/50/1017892350.db2.gz OCXVJGQSAQITOU-SSDOTTSWSA-N -1 0 310.262 -0.694 20 0 DBADRM O=C([O-])C[C@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)c1cccs1 ZINC001601909050 1017892437 /nfs/dbraw/zinc/89/24/37/1017892437.db2.gz XEOXCMRMEXNZJI-QXFUBDJGSA-N -1 0 321.376 -0.057 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1cccc2c1OCO2 ZINC001601908988 1017892644 /nfs/dbraw/zinc/89/26/44/1017892644.db2.gz OCXVJGQSAQITOU-ZETCQYMHSA-N -1 0 310.262 -0.694 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC001601910110 1017892840 /nfs/dbraw/zinc/89/28/40/1017892840.db2.gz YELDOGUKKGPIJI-XHDPSFHLSA-N -1 0 306.318 -0.604 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC001601913161 1017893222 /nfs/dbraw/zinc/89/32/22/1017893222.db2.gz XLYFMFZJAJGRTO-PWSUYJOCSA-N -1 0 306.384 -0.773 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)CCN2C(=O)CCC2=O)CCCOC1 ZINC001601926659 1017893271 /nfs/dbraw/zinc/89/32/71/1017893271.db2.gz FFOCDODNUULDGC-CQSZACIVSA-N -1 0 312.322 -0.334 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CC(N3CCCC3=O)C2)CC1 ZINC001601920585 1017893275 /nfs/dbraw/zinc/89/32/75/1017893275.db2.gz BWYZFHXABDUJSV-UHFFFAOYSA-N -1 0 316.379 -0.122 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)C2=CS(=O)(=O)CCC2)CCOC1 ZINC001601925606 1017893437 /nfs/dbraw/zinc/89/34/37/1017893437.db2.gz OKVDUYWISKEONB-GFCCVEGCSA-N -1 0 303.336 -0.171 20 0 DBADRM O=C([O-])CC1(NC(=O)C(=O)Nc2cccc3c2CNC3=O)CC1 ZINC001601924373 1017893544 /nfs/dbraw/zinc/89/35/44/1017893544.db2.gz OFKXHEFPNLLHGW-UHFFFAOYSA-N -1 0 317.301 -0.008 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)CCN2C(=O)CCC2=O)CCCOC1 ZINC001601926658 1017893616 /nfs/dbraw/zinc/89/36/16/1017893616.db2.gz FFOCDODNUULDGC-AWEZNQCLSA-N -1 0 312.322 -0.334 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)C[C@H]2CCS(=O)(=O)C2)CCCOC1 ZINC001601925072 1017893652 /nfs/dbraw/zinc/89/36/52/1017893652.db2.gz BOFXQVWDMZDKHF-ZWNOBZJWSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)C(=O)Nc2cccnc2F)CCOC1 ZINC001601924460 1017893898 /nfs/dbraw/zinc/89/38/98/1017893898.db2.gz RSCZKOOSTOJMIJ-CYBMUJFWSA-N -1 0 311.269 -0.091 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@H]2CCCS(=O)(=O)C2)CCOCC1 ZINC001601925642 1017893902 /nfs/dbraw/zinc/89/39/02/1017893902.db2.gz RWWJRMHHSBHZOW-JTQLQIEISA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)N2CCS(=O)(=O)CC2)CCCOC1 ZINC001601927637 1017894313 /nfs/dbraw/zinc/89/43/13/1017894313.db2.gz IARYUZOEMMBTHS-GFCCVEGCSA-N -1 0 320.367 -0.550 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@@H]2CSCC(=O)N2)CCOCC1 ZINC001601930217 1017894441 /nfs/dbraw/zinc/89/44/41/1017894441.db2.gz HFEDXMCGZJCLMT-QMMMGPOBSA-N -1 0 302.352 -0.642 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccccc1 ZINC001601940097 1017894659 /nfs/dbraw/zinc/89/46/59/1017894659.db2.gz QTEJTVHEIMKRAY-NSHDSACASA-N -1 0 319.317 -0.782 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCCC12OCCO2 ZINC001601939615 1017895167 /nfs/dbraw/zinc/89/51/67/1017895167.db2.gz OTXZGXYBQLJDIS-ZJUUUORDSA-N -1 0 312.322 -0.669 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ncc2ccccn21 ZINC001601938841 1017895197 /nfs/dbraw/zinc/89/51/97/1017895197.db2.gz DLUGEJOFKIWLHX-SNVBAGLBSA-N -1 0 302.290 -0.250 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccccc1 ZINC001601940096 1017895265 /nfs/dbraw/zinc/89/52/65/1017895265.db2.gz QTEJTVHEIMKRAY-LLVKDONJSA-N -1 0 319.317 -0.782 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1Cc1nnnn1CC(F)(F)F ZINC001601940896 1017895830 /nfs/dbraw/zinc/89/58/30/1017895830.db2.gz OKSWJNAVIAGTDX-LURJTMIESA-N -1 0 322.247 -0.990 20 0 DBADRM O=C([O-])CC1CC(NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)C1 ZINC001601945548 1017896083 /nfs/dbraw/zinc/89/60/83/1017896083.db2.gz QZZGDVJFBYQMDZ-AMDVSUOASA-N -1 0 323.309 -0.630 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC001601942594 1017896338 /nfs/dbraw/zinc/89/63/38/1017896338.db2.gz VBZOFAIPWRNSFB-UHFFFAOYSA-N -1 0 323.349 -0.811 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)c1c[nH]nc1Cl ZINC001601941917 1017896455 /nfs/dbraw/zinc/89/64/55/1017896455.db2.gz WAKVLKYZAQCZJB-RXMQYKEDSA-N -1 0 322.730 -0.973 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)NCCO[C@H]2CC2(F)F)C1 ZINC001601942836 1017896459 /nfs/dbraw/zinc/89/64/59/1017896459.db2.gz WOPFLEWUVHLATA-HACHORDNSA-N -1 0 320.292 -0.104 20 0 DBADRM O=C([O-])CC1CC(NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)C1 ZINC001601945550 1017896478 /nfs/dbraw/zinc/89/64/78/1017896478.db2.gz QZZGDVJFBYQMDZ-HACHORDNSA-N -1 0 323.309 -0.630 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2CC[C@H](CCCO)C2)C1 ZINC001601941846 1017896489 /nfs/dbraw/zinc/89/64/89/1017896489.db2.gz UWNDNFOUJFVDKL-UNXYVOJBSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])C[C@H]1CCCCN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC001601949091 1017896603 /nfs/dbraw/zinc/89/66/03/1017896603.db2.gz JTGGLBVMQDJZJE-SNVBAGLBSA-N -1 0 311.338 -0.187 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)C[C@H]1CCCOC1 ZINC001601940781 1017896668 /nfs/dbraw/zinc/89/66/68/1017896668.db2.gz MVYUQBYWXSOJMN-VHSXEESVSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N2OC3CCC2CC3)CCO1 ZINC001601958665 1017897085 /nfs/dbraw/zinc/89/70/85/1017897085.db2.gz QOKYKCNSVOHXTD-VQXHTEKXSA-N -1 0 312.322 -0.227 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CC2(F)F)CCO1 ZINC001601957333 1017897510 /nfs/dbraw/zinc/89/75/10/1017897510.db2.gz CMAIGVRIZHTGIL-IUCAKERBSA-N -1 0 320.292 -0.150 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)NCCO[C@@H]1CCOC1 ZINC001601951780 1017897529 /nfs/dbraw/zinc/89/75/29/1017897529.db2.gz JYQPLUNNEFIKOG-WDEREUQCSA-N -1 0 314.338 -0.626 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2COCCN2CC(F)F)CCO1 ZINC001601958908 1017897690 /nfs/dbraw/zinc/89/76/90/1017897690.db2.gz VUCJMBOZWXBMHU-UWVGGRQHSA-N -1 0 322.308 -0.346 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2COCCN2CC(F)F)CCO1 ZINC001601958905 1017897823 /nfs/dbraw/zinc/89/78/23/1017897823.db2.gz VUCJMBOZWXBMHU-NXEZZACHSA-N -1 0 322.308 -0.346 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC001601951838 1017897854 /nfs/dbraw/zinc/89/78/54/1017897854.db2.gz LILONCWZPPLEIH-MNOVXSKESA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001601951765 1017897874 /nfs/dbraw/zinc/89/78/74/1017897874.db2.gz JRXJAVLAPKHKFE-CMPLNLGQSA-N -1 0 309.366 -0.195 20 0 DBADRM O=C([O-])CC1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001601954501 1017897891 /nfs/dbraw/zinc/89/78/91/1017897891.db2.gz FTMNZDHJWZPJRL-MOWSAHLDSA-N -1 0 322.361 -0.008 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NC2CC(F)(F)C2)CCO1 ZINC001601957462 1017897970 /nfs/dbraw/zinc/89/79/70/1017897970.db2.gz GGHJCWYACSRHEY-MRVPVSSYSA-N -1 0 306.265 -0.398 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001498984249 1017898158 /nfs/dbraw/zinc/89/81/58/1017898158.db2.gz MHJSGTOVPGDDGZ-DTWKUNHWSA-N -1 0 310.358 -0.885 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NCc2nnc3n2CCC3)CCO1 ZINC001601960534 1017898378 /nfs/dbraw/zinc/89/83/78/1017898378.db2.gz ZOOSSRDRAVCESQ-VIFPVBQESA-N -1 0 309.326 -0.391 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1CCCN1CCOCC1 ZINC001601967519 1017898852 /nfs/dbraw/zinc/89/88/52/1017898852.db2.gz FTDQDGWLMBVXSS-LBPRGKRZSA-N -1 0 320.411 -0.718 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)CCOCC1CC1 ZINC001601964375 1017899169 /nfs/dbraw/zinc/89/91/69/1017899169.db2.gz REMZYZVCEIPCHQ-LLVKDONJSA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001601964924 1017899364 /nfs/dbraw/zinc/89/93/64/1017899364.db2.gz FNAXVCNQLUKABK-JTQLQIEISA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C[C@H]1C[C@@]12CCOC2 ZINC001601967457 1017899425 /nfs/dbraw/zinc/89/94/25/1017899425.db2.gz DUZUSCPPYDIQSN-NQBHXWOUSA-N -1 0 303.380 -0.013 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)CCCCCO ZINC001601965022 1017899600 /nfs/dbraw/zinc/89/96/00/1017899600.db2.gz YRVRINGEJYMXNW-JTQLQIEISA-N -1 0 307.368 -0.361 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1Cn1cc[nH]c1=S ZINC001601966701 1017899611 /nfs/dbraw/zinc/89/96/11/1017899611.db2.gz BAYIAFMRHJOJKQ-MRVPVSSYSA-N -1 0 305.381 -0.297 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1CCNC(=O)C1CC1 ZINC001601968609 1017900769 /nfs/dbraw/zinc/90/07/69/1017900769.db2.gz RQVGZEKQYJTWTA-SNVBAGLBSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC2(CNC(=O)O2)CC1 ZINC001601991241 1017901308 /nfs/dbraw/zinc/90/13/08/1017901308.db2.gz ZTPNNEOBKZBCPN-UHFFFAOYSA-N -1 0 313.310 -0.932 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1CCC(O)(CO)CC1 ZINC001601986657 1017901656 /nfs/dbraw/zinc/90/16/56/1017901656.db2.gz DWTBFJUISSLIOG-UHFFFAOYSA-N -1 0 309.384 -0.220 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1csc(=O)[nH]1 ZINC001601968699 1017901734 /nfs/dbraw/zinc/90/17/34/1017901734.db2.gz SHWMKKVNYWNUGW-ZCFIWIBFSA-N -1 0 320.348 -0.437 20 0 DBADRM O=C([O-])CCCC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC001601978734 1017902185 /nfs/dbraw/zinc/90/21/85/1017902185.db2.gz OLWJMGDHAHYWFJ-UHFFFAOYSA-N -1 0 324.337 -0.065 20 0 DBADRM O=C([O-])CCN(C(=O)c1nc2n(n1)CCCN2)C1CCOCC1 ZINC001602004071 1017906245 /nfs/dbraw/zinc/90/62/45/1017906245.db2.gz FXWKNFFPSKHWIM-UHFFFAOYSA-N -1 0 323.353 -0.553 20 0 DBADRM Cc1cc(OCC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)no1 ZINC001498997059 1017907216 /nfs/dbraw/zinc/90/72/16/1017907216.db2.gz FFNIQAOJQRBCOH-SECBINFHSA-N -1 0 322.325 -0.424 20 0 DBADRM O=C([O-])CCCNC(=S)NC[C@]12COC(=O)N1CCOC2 ZINC001601993254 1017907686 /nfs/dbraw/zinc/90/76/86/1017907686.db2.gz IJRIRUPYPBRLDH-LBPRGKRZSA-N -1 0 317.367 -0.464 20 0 DBADRM O=C([O-])CCN1CC[C@H](n2cc(CN3CCCC3=O)nn2)C1=O ZINC001602011628 1017910321 /nfs/dbraw/zinc/91/03/21/1017910321.db2.gz BTPZGYVADXDSMT-NSHDSACASA-N -1 0 321.337 -0.351 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)CCN2CCCC2=O)C1=O ZINC001602012116 1017910353 /nfs/dbraw/zinc/91/03/53/1017910353.db2.gz VJPUUWHWSGERGM-SNVBAGLBSA-N -1 0 312.322 -0.382 20 0 DBADRM O=C([O-])CC[N@H+](C[C@H]1CCCO1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC001602006209 1017910700 /nfs/dbraw/zinc/91/07/00/1017910700.db2.gz LXTURYIUPCVOQH-MNOVXSKESA-N -1 0 314.338 -0.372 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001602015855 1017914530 /nfs/dbraw/zinc/91/45/30/1017914530.db2.gz DUVHRQCWAIQAGI-VIFPVBQESA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CCNC(=O)CCN1C(=O)[C@@H]2C[C@H](F)CN2C1=O ZINC001602016033 1017916057 /nfs/dbraw/zinc/91/60/57/1017916057.db2.gz NFPDOJHYRHPVBP-YUMQZZPRSA-N -1 0 301.274 -0.658 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)[C@@H]2CCCS2(=O)=O)C1=O ZINC001602017385 1017916322 /nfs/dbraw/zinc/91/63/22/1017916322.db2.gz XEVLZXXHXOTPCQ-BDAKNGLRSA-N -1 0 319.335 -0.818 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)/C=C/c1cncc(O)c1 ZINC001602017037 1017917321 /nfs/dbraw/zinc/91/73/21/1017917321.db2.gz UKUGFILHBDEDIR-OWOJBTEDSA-N -1 0 307.306 -0.102 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCC[C@H](CCO)C1 ZINC001602018486 1017919044 /nfs/dbraw/zinc/91/90/44/1017919044.db2.gz YBWWQXLCMDYWSB-LLVKDONJSA-N -1 0 315.370 -0.229 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC[C@@](F)(CO)C1 ZINC001602017783 1017919551 /nfs/dbraw/zinc/91/95/51/1017919551.db2.gz JGULPCYKSSWJOM-LBPRGKRZSA-N -1 0 305.306 -0.917 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)CCc1ccc(=O)[nH]c1 ZINC001602018651 1017919760 /nfs/dbraw/zinc/91/97/60/1017919760.db2.gz ZNRXKHCWBMMIKB-UHFFFAOYSA-N -1 0 309.322 -0.183 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@H]1CC12CCOCC2 ZINC001602018735 1017920071 /nfs/dbraw/zinc/92/00/71/1017920071.db2.gz FTFJVFQEWRSHBT-JTQLQIEISA-N -1 0 313.354 -0.164 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)[C@H]1COCCN1CC(F)F ZINC001602021496 1017923565 /nfs/dbraw/zinc/92/35/65/1017923565.db2.gz KMKCSWZFGWQBDO-MRVPVSSYSA-N -1 0 324.280 -0.914 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@@H](O)Cc1ccccc1 ZINC001602020293 1017924425 /nfs/dbraw/zinc/92/44/25/1017924425.db2.gz FVJMLYLITKBJAE-LBPRGKRZSA-N -1 0 308.334 -0.313 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NC[C@@H]1CCC[C@H]1O ZINC001602020938 1017924849 /nfs/dbraw/zinc/92/48/49/1017924849.db2.gz WFVRHIHHXOUGHN-VHSXEESVSA-N -1 0 301.343 -0.572 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1nnc2ccccc2n1 ZINC001602021287 1017925102 /nfs/dbraw/zinc/92/51/02/1017925102.db2.gz DMYRTEOGKYXUQG-UHFFFAOYSA-N -1 0 304.262 -0.228 20 0 DBADRM O=C([O-])CCNC(=O)CSc1nnnn1C[C@@H]1CCCO1 ZINC001602022630 1017925239 /nfs/dbraw/zinc/92/52/39/1017925239.db2.gz JLEINPRVCUKKQZ-QMMMGPOBSA-N -1 0 315.355 -0.465 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCC(CO)(CO)CC2)O1 ZINC001602034814 1017926140 /nfs/dbraw/zinc/92/61/40/1017926140.db2.gz SOKOIAAIMXOFMA-NWDGAFQWSA-N -1 0 315.366 -0.008 20 0 DBADRM O=C([O-])CN(C(=O)CC[C@H]1NC(=O)NC1=O)C1CCOCC1 ZINC001602050314 1017926165 /nfs/dbraw/zinc/92/61/65/1017926165.db2.gz RKLHWPCHLAIKEB-SECBINFHSA-N -1 0 313.310 -0.933 20 0 DBADRM O=C([O-])CCc1csc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001602047750 1017927220 /nfs/dbraw/zinc/92/72/20/1017927220.db2.gz UPCMSJGQFFTNET-LURJTMIESA-N -1 0 312.307 -0.303 20 0 DBADRM O=C([O-])CC[C@H]1NC(=O)N([C@H]2CC(=O)N(CC3CC3)C2)C1=O ZINC001602038356 1017928132 /nfs/dbraw/zinc/92/81/32/1017928132.db2.gz IXSPXJZISPRGAZ-VHSXEESVSA-N -1 0 309.322 -0.218 20 0 DBADRM O=C([O-])CN1CCN(C(=O)[C@@H]2CC(c3ccccn3)=NO2)CC1 ZINC001602063003 1017931602 /nfs/dbraw/zinc/93/16/02/1017931602.db2.gz GMVBSMMBCABFKQ-ZDUSSCGKSA-N -1 0 318.333 -0.197 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)N1CCOCC1 ZINC001602054731 1017931669 /nfs/dbraw/zinc/93/16/69/1017931669.db2.gz VIEVBECZUZBQCH-UHFFFAOYSA-N -1 0 301.343 -0.843 20 0 DBADRM O=C([O-])CN1CCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001602062506 1017931757 /nfs/dbraw/zinc/93/17/57/1017931757.db2.gz OFBYXNNDQUORLB-UHFFFAOYSA-N -1 0 317.309 -0.896 20 0 DBADRM O=C([O-])CN1CCN(C(=O)c2nnc3ccccc3n2)CC1 ZINC001602060704 1017933265 /nfs/dbraw/zinc/93/32/65/1017933265.db2.gz IUPXKFJAWHFFSJ-UHFFFAOYSA-N -1 0 301.306 -0.133 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@H]1C[C@@]12CCOC2 ZINC001602054877 1017933765 /nfs/dbraw/zinc/93/37/65/1017933765.db2.gz KCVFMBILLLXPPL-IUODEOHRSA-N -1 0 312.366 -0.342 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)/C=C/Cn1cncn1 ZINC001602064279 1017935021 /nfs/dbraw/zinc/93/50/21/1017935021.db2.gz NPIJUOGOYRDBGA-YWNRKNDBSA-N -1 0 307.310 -0.974 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1S(=O)(=O)Cc1ccon1 ZINC001602067513 1017938730 /nfs/dbraw/zinc/93/87/30/1017938730.db2.gz KGHMDZMHQWTOKN-VIFPVBQESA-N -1 0 317.323 -0.830 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)CN1Cc2ccccc2OC1=O ZINC001602069103 1017938973 /nfs/dbraw/zinc/93/89/73/1017938973.db2.gz KOBMSMCXMKSYRS-UHFFFAOYSA-N -1 0 321.289 -0.682 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C[C@@H]1CN(C2CC2)C(=O)O1 ZINC001602067503 1017939301 /nfs/dbraw/zinc/93/93/01/1017939301.db2.gz KBSPEZGUHDHDSL-MNOVXSKESA-N -1 0 311.338 -0.365 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)CSCC(=O)c1ccccc1 ZINC001602069231 1017939885 /nfs/dbraw/zinc/93/98/85/1017939885.db2.gz SLYZGOBUPAYQGG-UHFFFAOYSA-N -1 0 324.358 -0.081 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1cncc(Cl)n1 ZINC001602066224 1017940215 /nfs/dbraw/zinc/94/02/15/1017940215.db2.gz LWNFPQKUGCZAGR-MRVPVSSYSA-N -1 0 312.713 -0.065 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1S(=O)(=O)CCC1CC1 ZINC001602068507 1017940430 /nfs/dbraw/zinc/94/04/30/1017940430.db2.gz PPERLRSXEIPMIB-JTQLQIEISA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H](O)c1ccccc1 ZINC001602067612 1017942453 /nfs/dbraw/zinc/94/24/53/1017942453.db2.gz UBMNCXIPQRWLHB-WCQYABFASA-N -1 0 306.318 -0.088 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC001602069853 1017943318 /nfs/dbraw/zinc/94/33/18/1017943318.db2.gz JEBOOFLHKLCYSO-UHFFFAOYSA-N -1 0 316.216 -0.061 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc2ccccc2[nH]c1=O ZINC001602069477 1017943925 /nfs/dbraw/zinc/94/39/25/1017943925.db2.gz JMOTTWWHEMHVGB-UHFFFAOYSA-N -1 0 303.274 -0.129 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC001602070220 1017945628 /nfs/dbraw/zinc/94/56/28/1017945628.db2.gz ZVJJDFIDGSTVOH-UHFFFAOYSA-N -1 0 321.211 -0.263 20 0 DBADRM O=C([O-])COCC(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001602076366 1017948332 /nfs/dbraw/zinc/94/83/32/1017948332.db2.gz WMLRMHHODXLVNW-GFCCVEGCSA-N -1 0 305.352 -0.485 20 0 DBADRM O=C([O-])COCC(=O)N(CCC(F)(F)F)C[C@H](O)CO ZINC001602076299 1017948913 /nfs/dbraw/zinc/94/89/13/1017948913.db2.gz QURPUMASZCWDIY-ZETCQYMHSA-N -1 0 303.233 -0.778 20 0 DBADRM O=C([O-])COCC(=O)NCCN1C(=O)COc2ccccc21 ZINC001602077256 1017948931 /nfs/dbraw/zinc/94/89/31/1017948931.db2.gz XZOLBHOOLCJYBO-UHFFFAOYSA-N -1 0 308.290 -0.371 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)Nn2cnnc2)cc1 ZINC001602074468 1017949489 /nfs/dbraw/zinc/94/94/89/1017949489.db2.gz PJHBYZKOBQTHAS-UHFFFAOYSA-N -1 0 304.266 -0.132 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC001602078118 1017949926 /nfs/dbraw/zinc/94/99/26/1017949926.db2.gz ZETROUIFRAWXBU-UHFFFAOYSA-N -1 0 320.252 -0.696 20 0 DBADRM O=C([O-])COCC(=O)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC001602076290 1017950035 /nfs/dbraw/zinc/95/00/35/1017950035.db2.gz PUBJZLHXRMLAFF-NSHDSACASA-N -1 0 310.306 -0.012 20 0 DBADRM O=C([O-])COCC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC001602076803 1017950248 /nfs/dbraw/zinc/95/02/48/1017950248.db2.gz TXLPVDIZGBWFJK-UHFFFAOYSA-N -1 0 320.367 -0.886 20 0 DBADRM O=C([O-])CSCCC(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC001602097425 1017952543 /nfs/dbraw/zinc/95/25/43/1017952543.db2.gz ZCTCSLSYRNUUMV-UHFFFAOYSA-N -1 0 313.383 -0.343 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)c1 ZINC001602089595 1017952730 /nfs/dbraw/zinc/95/27/30/1017952730.db2.gz AONVJGPOOMXPBM-DGCLKSJQSA-N -1 0 309.318 -0.035 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)NCCn2cnnn2)cc1 ZINC001602087712 1017952858 /nfs/dbraw/zinc/95/28/58/1017952858.db2.gz UKPXMTXHVVIYLF-UHFFFAOYSA-N -1 0 306.282 -0.042 20 0 DBADRM O=C([O-])COc1ccc(CN2CC3(C2)NC(=O)NC3=O)cc1 ZINC001602082486 1017953437 /nfs/dbraw/zinc/95/34/37/1017953437.db2.gz DJIKFGDAYABPDH-UHFFFAOYSA-N -1 0 305.290 -0.456 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](O)C2)cc1 ZINC001602085482 1017953921 /nfs/dbraw/zinc/95/39/21/1017953921.db2.gz LZEQEDGYJQKIPN-MGCOHNPYSA-N -1 0 308.290 -0.272 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)CCCN2C(=O)CNC2=O)n1 ZINC001602136072 1017955903 /nfs/dbraw/zinc/95/59/03/1017955903.db2.gz XVORKBRITDHPOW-UHFFFAOYSA-N -1 0 320.305 -0.021 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)NC[C@@H]2COCCN2)cc1 ZINC001602134047 1017955944 /nfs/dbraw/zinc/95/59/44/1017955944.db2.gz YRUHDAROGHRDMQ-LLVKDONJSA-N -1 0 314.363 -0.420 20 0 DBADRM O=C([O-])CSCCNC(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001602100084 1017956001 /nfs/dbraw/zinc/95/60/01/1017956001.db2.gz FBALCZHGCHFOCA-GFCCVEGCSA-N -1 0 301.368 -0.274 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2cnn(C[C@H](O)CO)c2)C1 ZINC001602112821 1017956077 /nfs/dbraw/zinc/95/60/77/1017956077.db2.gz UMKPHUDIEHVPOZ-USWWRNFRSA-N -1 0 311.338 -0.391 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC001602122595 1017957444 /nfs/dbraw/zinc/95/74/44/1017957444.db2.gz TWSJMWANSSCWRN-ITGUQSILSA-N -1 0 318.329 -0.051 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C[C@@H]2NC(=O)NC2=O)cc1F ZINC001602123367 1017958373 /nfs/dbraw/zinc/95/83/73/1017958373.db2.gz NVCSSZSKAROEQY-VIFPVBQESA-N -1 0 309.253 -0.011 20 0 DBADRM O=C([O-])Cc1ccc(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1 ZINC001602118397 1017958399 /nfs/dbraw/zinc/95/83/99/1017958399.db2.gz BOAVVLYRHYUMJB-UMVBOHGHSA-N -1 0 321.329 -0.657 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)N2C[C@@H](O)C[C@H]2CO)n1 ZINC001602151852 1017959036 /nfs/dbraw/zinc/95/90/36/1017959036.db2.gz GWZNUOICFXINDO-YUMQZZPRSA-N -1 0 301.324 -0.270 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)N2CCN(C(=O)CO)CC2)n1 ZINC001602139469 1017960639 /nfs/dbraw/zinc/96/06/39/1017960639.db2.gz XPSMINVSKNENHR-UHFFFAOYSA-N -1 0 322.321 -0.623 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)N2CC(CO)(CO)C2)c1 ZINC001602141487 1017961009 /nfs/dbraw/zinc/96/10/09/1017961009.db2.gz HRDOJLGLRYGGJQ-UHFFFAOYSA-N -1 0 315.347 -0.711 20 0 DBADRM O=C([O-])Cc1cn(CC(=O)N2CCC3(CC2)OCCO3)nn1 ZINC001602149718 1017961441 /nfs/dbraw/zinc/96/14/41/1017961441.db2.gz YJZNXKWVUHKDCJ-UHFFFAOYSA-N -1 0 310.310 -0.729 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)NCCc2nnc[nH]2)c1 ZINC001602143171 1017961769 /nfs/dbraw/zinc/96/17/69/1017961769.db2.gz NCLVIMOLIKTQBS-UHFFFAOYSA-N -1 0 310.335 -0.047 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001602145939 1017961954 /nfs/dbraw/zinc/96/19/54/1017961954.db2.gz XWWBPMMLHSGWEB-NSHDSACASA-N -1 0 312.347 -0.378 20 0 DBADRM O=C([O-])Cn1cc(CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)nn1 ZINC001602162939 1017964300 /nfs/dbraw/zinc/96/43/00/1017964300.db2.gz PGHAVVQGRIQTDQ-UWVGGRQHSA-N -1 0 314.367 -0.771 20 0 DBADRM O=C([O-])Cn1cc(CCCOC(=O)C[C@@H]2COC(=O)C2)nn1 ZINC001602159594 1017964328 /nfs/dbraw/zinc/96/43/28/1017964328.db2.gz QTTJSSFEFXVQSD-VIFPVBQESA-N -1 0 311.294 -0.208 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)C[C@@H]2CCCC(=O)N2)nn1 ZINC001602160895 1017964347 /nfs/dbraw/zinc/96/43/47/1017964347.db2.gz VKUKHXVFIJPWAL-VIFPVBQESA-N -1 0 310.310 -0.493 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)cn1 ZINC001602162061 1017964454 /nfs/dbraw/zinc/96/44/54/1017964454.db2.gz CNOOVICEMYSTGW-GCDPNZCJSA-N -1 0 321.289 -0.373 20 0 DBADRM O=C([O-])Cn1cc(CN2C[C@H](O)CC3(CCOCC3)C2)nn1 ZINC001602160792 1017964692 /nfs/dbraw/zinc/96/46/92/1017964692.db2.gz FNRJPMNFZYTBKI-GFCCVEGCSA-N -1 0 310.354 -0.274 20 0 DBADRM O=C([O-])Cn1cc(Cn2c(=O)cncc2Br)nn1 ZINC001602162591 1017964771 /nfs/dbraw/zinc/96/47/71/1017964771.db2.gz TZGSPARRVXJCLJ-UHFFFAOYSA-N -1 0 314.099 -0.270 20 0 DBADRM O=C([O-])Cn1cc(CCN2CCO[C@H](C(=O)C3CC3)C2)nn1 ZINC001602159662 1017964818 /nfs/dbraw/zinc/96/48/18/1017964818.db2.gz SQPCYWJRVVRRQM-LBPRGKRZSA-N -1 0 308.338 -0.415 20 0 DBADRM O=C([O-])Cn1cc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)nn1 ZINC001602162753 1017966115 /nfs/dbraw/zinc/96/61/15/1017966115.db2.gz HTAWKQHFXIYKQL-MNOVXSKESA-N -1 0 314.367 -0.486 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC3(CCO3)CC2)cn1 ZINC001602163686 1017968029 /nfs/dbraw/zinc/96/80/29/1017968029.db2.gz VVPHYBCAUBWOSO-UHFFFAOYSA-N -1 0 315.351 -0.089 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC001602168742 1017968821 /nfs/dbraw/zinc/96/88/21/1017968821.db2.gz AOUOENPKIBOWII-VIFPVBQESA-N -1 0 315.280 -0.130 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)c2ccc3n[nH]c(=O)n3c2)n1 ZINC001602166824 1017970828 /nfs/dbraw/zinc/97/08/28/1017970828.db2.gz HLTLCFIXRFJFIJ-UHFFFAOYSA-N -1 0 302.250 -0.032 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cnn(C[C@@H](O)CO)c2)C[C@H]1C1CC1 ZINC001602186913 1017971962 /nfs/dbraw/zinc/97/19/62/1017971962.db2.gz PLUKGXFIFKVZAY-FRRDWIJNSA-N -1 0 323.349 -0.581 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cccc2nc[nH]c(=O)c21 ZINC001602192325 1017972791 /nfs/dbraw/zinc/97/27/91/1017972791.db2.gz VWRWVFOEPZBTCH-XCBNKYQSSA-N -1 0 303.274 -0.005 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCN3C(=O)NC[C@H]3C2)C1 ZINC001602191967 1017972939 /nfs/dbraw/zinc/97/29/39/1017972939.db2.gz XCCCFVJHLNLVKC-GARJFASQSA-N -1 0 311.338 -0.508 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1ccnc(N2CCOCC2)n1 ZINC001602197131 1017972985 /nfs/dbraw/zinc/97/29/85/1017972985.db2.gz OSTINJJDEXBCOJ-ONGXEEELSA-N -1 0 324.312 -0.050 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCC[C@H]2CN2CCOCC2)C(=O)O1 ZINC001602188226 1017973848 /nfs/dbraw/zinc/97/38/48/1017973848.db2.gz OYHMSWXOHGNSMT-RYUDHWBXSA-N -1 0 313.354 -0.354 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001602196859 1017973954 /nfs/dbraw/zinc/97/39/54/1017973954.db2.gz QLMUVXRYNTWSII-IUCAKERBSA-N -1 0 312.301 -0.595 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ncc(Br)cn1 ZINC001602192323 1017974357 /nfs/dbraw/zinc/97/43/57/1017974357.db2.gz VTQQLIGNZNPJQF-RQJHMYQMSA-N -1 0 316.111 -0.101 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC001602191033 1017974651 /nfs/dbraw/zinc/97/46/51/1017974651.db2.gz YLIOQYVZXSPPFK-PWSUYJOCSA-N -1 0 321.333 -0.089 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N(CCOC[C@@H]2CCCO2)C1=O ZINC001602198412 1017975947 /nfs/dbraw/zinc/97/59/47/1017975947.db2.gz IYULAOWCWRAABH-LNFKQOIKSA-N -1 0 312.322 -0.177 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCC[C@@H]1CCOC1 ZINC001602202754 1017976064 /nfs/dbraw/zinc/97/60/64/1017976064.db2.gz DWMRTEZPCAAYTB-OUAUKWLOSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]21 ZINC001602207137 1017977094 /nfs/dbraw/zinc/97/70/94/1017977094.db2.gz YSHMUMNHAYOLAB-BXSSEVMYSA-N -1 0 304.306 -0.448 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)C[C@H]1C=CCC1 ZINC001602197654 1017977817 /nfs/dbraw/zinc/97/78/17/1017977817.db2.gz KTUPRLZQEXSWJH-DCAQKATOSA-N -1 0 321.333 -0.051 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H](O)CC(F)(F)C1 ZINC001602201992 1017977994 /nfs/dbraw/zinc/97/79/94/1017977994.db2.gz KBDIAEDGXUFYCQ-IWSPIJDZSA-N -1 0 308.281 -0.112 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)NCCS(=O)(=O)CC3CC3)C[C@@H]21 ZINC001602205157 1017978086 /nfs/dbraw/zinc/97/80/86/1017978086.db2.gz NWRZBHCUBKBKBM-URLYPYJESA-N -1 0 316.379 -0.217 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N([C@@H]2CCOC23CCOCC3)C1=O ZINC001602200040 1017978271 /nfs/dbraw/zinc/97/82/71/1017978271.db2.gz NHBKVFNLICOWPI-GWOFURMSSA-N -1 0 324.333 -0.034 20 0 DBADRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)CCCN1C(=O)CNC1=O ZINC001602209575 1017980257 /nfs/dbraw/zinc/98/02/57/1017980257.db2.gz CWWBJQRTQIQUEH-SSDOTTSWSA-N -1 0 319.264 -0.361 20 0 DBADRM O=C([O-])c1c(NC(=O)[C@H]2C[C@@]23CCOC3)[nH]nc1OCCO ZINC001602231895 1017980939 /nfs/dbraw/zinc/98/09/39/1017980939.db2.gz CBDJGSVJYJFCNA-FUXBKTLASA-N -1 0 311.294 -0.156 20 0 DBADRM O=C([O-])c1c(NC(=O)[C@@H]2CCS(=O)(=O)N2)nc2n1CCC2 ZINC001602231504 1017981806 /nfs/dbraw/zinc/98/18/06/1017981806.db2.gz GXWOJSCWDQAXOO-LURJTMIESA-N -1 0 314.323 -0.842 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@@H](CO)[C@H](O)c2ccccn2)on1 ZINC001602245333 1017982053 /nfs/dbraw/zinc/98/20/53/1017982053.db2.gz NTUIXGLATBSUHQ-GXSJLCMTSA-N -1 0 307.262 -0.408 20 0 DBADRM O=C([O-])c1c(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[nH]nc1OCCO ZINC001602233109 1017982604 /nfs/dbraw/zinc/98/26/04/1017982604.db2.gz PMOZLQODKNQGJF-KUIGQIJESA-N -1 0 323.305 -0.159 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN(c3nccnn3)CC2)c[nH]1 ZINC001602243825 1017983054 /nfs/dbraw/zinc/98/30/54/1017983054.db2.gz RXTMVJAPQQZVTN-UHFFFAOYSA-N -1 0 302.294 -0.140 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H](OCCO)C2)on1 ZINC001602290259 1017984049 /nfs/dbraw/zinc/98/40/49/1017984049.db2.gz DWONHADSBJWYGY-MRVPVSSYSA-N -1 0 320.323 -0.465 20 0 DBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)N2C[C@H](O)C[C@H](O)C2)c1 ZINC001602273531 1017984178 /nfs/dbraw/zinc/98/41/78/1017984178.db2.gz VIRWTLLFOVWMAE-AOOOYVTPSA-N -1 0 319.310 -0.360 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CO[C@@H](C3CC3)C2)n[nH]1 ZINC001602294343 1017984325 /nfs/dbraw/zinc/98/43/25/1017984325.db2.gz YJWKNNILSKMWMG-IONNQARKSA-N -1 0 301.324 -0.046 20 0 DBADRM O=C([O-])c1cc(N2CCN(C(=O)N3CCOCC3)CC2)ncn1 ZINC001602278214 1017984382 /nfs/dbraw/zinc/98/43/82/1017984382.db2.gz GROYPMDOXXIZJF-UHFFFAOYSA-N -1 0 321.337 -0.251 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCC3(C2)OCCO3)n[nH]1 ZINC001602294533 1017985241 /nfs/dbraw/zinc/98/52/41/1017985241.db2.gz KBBDFUKMYDPWRR-ZETCQYMHSA-N -1 0 317.323 -0.318 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H](O)[C@@H]2CCCO2)c[nH]1 ZINC001602294682 1017985691 /nfs/dbraw/zinc/98/56/91/1017985691.db2.gz WTUWNWJVQZDDRS-ZJUUUORDSA-N -1 0 304.324 -0.469 20 0 DBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)NC[C@]2(O)CCOC2)c1 ZINC001602273644 1017985714 /nfs/dbraw/zinc/98/57/14/1017985714.db2.gz PHKYEPQIUFGCAQ-GFCCVEGCSA-N -1 0 319.310 -0.046 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC2(CF)CCOCC2)n[nH]1 ZINC001602295170 1017987632 /nfs/dbraw/zinc/98/76/32/1017987632.db2.gz ZXTLDBAVLOAOHQ-UHFFFAOYSA-N -1 0 307.303 -0.095 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC2(CO)CCCC2)n[nH]1 ZINC001602294749 1017987818 /nfs/dbraw/zinc/98/78/18/1017987818.db2.gz YYJFSWIPGJBLHA-UHFFFAOYSA-N -1 0 303.340 -0.061 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CCO[C@@H]([C@@H]3CCCO3)C2)n1 ZINC001602313461 1017988027 /nfs/dbraw/zinc/98/80/27/1017988027.db2.gz KJPHFLXPRBWFES-NWDGAFQWSA-N -1 0 309.322 -0.221 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)N1C[C@H](O)C[C@H]1CO ZINC001602305336 1017988041 /nfs/dbraw/zinc/98/80/41/1017988041.db2.gz CMVAWYMVRYDCBZ-AEJSXWLSSA-N -1 0 324.337 -0.447 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2COCCN2)cs1 ZINC001602295737 1017988532 /nfs/dbraw/zinc/98/85/32/1017988532.db2.gz SGHIUIYSZJBFSG-ZETCQYMHSA-N -1 0 306.365 -0.287 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CCO[C@@]3(CCCOC3)C2)n1 ZINC001602313525 1017989745 /nfs/dbraw/zinc/98/97/45/1017989745.db2.gz ORNIFKCLIVYISV-AWEZNQCLSA-N -1 0 309.322 -0.220 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCOC[C@H]2CCCO2)n[nH]1 ZINC001602296262 1017990023 /nfs/dbraw/zinc/99/00/23/1017990023.db2.gz XDFAPSDVJIYWQQ-MRVPVSSYSA-N -1 0 319.339 -0.418 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cn1 ZINC001602333754 1017991800 /nfs/dbraw/zinc/99/18/00/1017991800.db2.gz ANZHGHONLIIBJG-JTQLQIEISA-N -1 0 318.289 -0.915 20 0 DBADRM O=C([O-])c1ccc(C(=O)NN2CCS(=O)(=O)CC2)c(F)c1 ZINC001602323576 1017992287 /nfs/dbraw/zinc/99/22/87/1017992287.db2.gz KVMXLLFCHYBAHH-UHFFFAOYSA-N -1 0 316.310 -0.101 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCCn2ccnn2)cn1 ZINC001602399205 1017995340 /nfs/dbraw/zinc/99/53/40/1017995340.db2.gz UDTBUVMFIKFFGL-UHFFFAOYSA-N -1 0 311.323 -0.260 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCC[C@@]2(O)CCOC2)cn1 ZINC001602397936 1017995369 /nfs/dbraw/zinc/99/53/69/1017995369.db2.gz PHINHZALURPTLQ-GFCCVEGCSA-N -1 0 316.335 -0.400 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCCOCCO)cn1 ZINC001602397591 1017995686 /nfs/dbraw/zinc/99/56/86/1017995686.db2.gz GFAJGTNYWQQMJQ-UHFFFAOYSA-N -1 0 304.324 -0.543 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCCn3ncnc32)cn1 ZINC001602394602 1017996188 /nfs/dbraw/zinc/99/61/88/1017996188.db2.gz GDXIPBIKCQFVEL-UHFFFAOYSA-N -1 0 309.307 -0.030 20 0 DBADRM O=C([O-])c1ccc2c(=O)[nH]c(CN3C[C@H](CO)[C@H](O)C3)nc2c1 ZINC001602417953 1017996530 /nfs/dbraw/zinc/99/65/30/1017996530.db2.gz PFICXCVMTIVVIK-BXKDBHETSA-N -1 0 319.317 -0.181 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCc3n[nH]cc3C2)c1=O ZINC001602476038 1017999060 /nfs/dbraw/zinc/99/90/60/1017999060.db2.gz OWERDUVDOGNNTQ-UHFFFAOYSA-N -1 0 302.290 -0.146 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c1=O ZINC001602475416 1017999177 /nfs/dbraw/zinc/99/91/77/1017999177.db2.gz HRVZWTXYGHZPQP-PSASIEDQSA-N -1 0 306.274 -0.822 20 0 DBADRM O=C([O-])c1cccc2c1OCCN(C(=O)Cn1ncnn1)C2 ZINC001602460108 1017999954 /nfs/dbraw/zinc/99/99/54/1017999954.db2.gz HVAMYNLMYFFXGH-UHFFFAOYSA-N -1 0 303.278 -0.208 20 0 DBADRM O=C([O-])c1ccccc1C(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001602464849 1018000622 /nfs/dbraw/zinc/00/06/22/1018000622.db2.gz JJBDZCYUHLZYKH-MRXNPFEDSA-N -1 0 320.345 -0.096 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCC[C@@]23CCOC3=O)c1=O ZINC001602475902 1018000636 /nfs/dbraw/zinc/00/06/36/1018000636.db2.gz OMGPXPSYXZMCKA-HNNXBMFYSA-N -1 0 320.301 -0.145 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCN(C(=O)C3CC3)C2)c1=O ZINC001602475118 1018000813 /nfs/dbraw/zinc/00/08/13/1018000813.db2.gz DUYCBTGSALQLJS-UHFFFAOYSA-N -1 0 319.317 -0.415 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2C[C@@H](O)CC(F)(F)C2)c1=O ZINC001602476168 1018000998 /nfs/dbraw/zinc/00/09/98/1018000998.db2.gz QUOKMBXSQZXXQV-QMMMGPOBSA-N -1 0 316.260 -0.225 20 0 DBADRM O=C([O-])c1ccnc(N2CCC3(CC2)C[C@H](O)CNC3=O)n1 ZINC001602479991 1018001295 /nfs/dbraw/zinc/00/12/95/1018001295.db2.gz BYWTVCBTSCHCOE-VIFPVBQESA-N -1 0 306.322 -0.358 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)CNC(=O)C3CC3)C2)nn1 ZINC001602492501 1018001402 /nfs/dbraw/zinc/00/14/02/1018001402.db2.gz CIVMRBVCEUBZOU-SECBINFHSA-N -1 0 307.310 -0.724 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NCCO[C@H]2CCOC2)c1 ZINC001602486753 1018001589 /nfs/dbraw/zinc/00/15/89/1018001589.db2.gz PPYMEUBXYOYMJL-JTQLQIEISA-N -1 0 316.335 -0.136 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)c3cc(=O)[nH]cn3)C2)nn1 ZINC001602492152 1018001727 /nfs/dbraw/zinc/00/17/27/1018001727.db2.gz SNQFJGNADQLNFP-MRVPVSSYSA-N -1 0 318.293 -0.051 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCN(c3ncccn3)CC2)n1 ZINC001602477332 1018001864 /nfs/dbraw/zinc/00/18/64/1018001864.db2.gz NQNYDHNXBQKGQW-UHFFFAOYSA-N -1 0 316.321 -0.280 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC001602478177 1018002615 /nfs/dbraw/zinc/00/26/15/1018002615.db2.gz QMFSXBXYVCIVNQ-AOOOYVTPSA-N -1 0 310.331 -0.104 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)NC[C@H](CO)[C@@H]1CCOC1 ZINC001602489110 1018002798 /nfs/dbraw/zinc/00/27/98/1018002798.db2.gz RVXDQKOKSCTIAX-RKDXNWHRSA-N -1 0 319.335 -0.099 20 0 DBADRM O=C([O-])c1ccnc(C(=O)NCCNC(=O)c2ccn[nH]2)c1 ZINC001602479151 1018003243 /nfs/dbraw/zinc/00/32/43/1018003243.db2.gz KHQZBXJRPYBQPJ-UHFFFAOYSA-N -1 0 303.278 -0.337 20 0 DBADRM O=C([O-])c1ccnc(C(=O)NCCC(=O)N2CCOCC2)c1 ZINC001602479338 1018003634 /nfs/dbraw/zinc/00/36/34/1018003634.db2.gz RXDGBNYWPDERFM-UHFFFAOYSA-N -1 0 307.306 -0.242 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NC[C@H](O)[C@H]2CCCO2)c1 ZINC001602484875 1018003651 /nfs/dbraw/zinc/00/36/51/1018003651.db2.gz RWEPRTQQYNBVRZ-VHSXEESVSA-N -1 0 316.335 -0.402 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)C(F)(F)C3(O)CCC3)C2)nn1 ZINC001602501157 1018004153 /nfs/dbraw/zinc/00/41/53/1018004153.db2.gz YXJANWVYFDBKCA-UHFFFAOYSA-N -1 0 316.264 -0.090 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)N[C@H]3CCNC3=O)CC2)nn1 ZINC001602499169 1018004168 /nfs/dbraw/zinc/00/41/68/1018004168.db2.gz NRSZPLYXSOLLCO-VIFPVBQESA-N -1 0 322.325 -0.789 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)[C@]3(O)CCOC3)C2)nn1 ZINC001602494536 1018004480 /nfs/dbraw/zinc/00/44/80/1018004480.db2.gz JNXQFKBMTOBOMY-RNCFNFMXSA-N -1 0 310.310 -0.709 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(Cc3ncnn3CCF)C2)nn1 ZINC001602500538 1018004680 /nfs/dbraw/zinc/00/46/80/1018004680.db2.gz IXKKFQUAPRGZAU-SECBINFHSA-N -1 0 309.305 -0.016 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)c3ccc[n+]([O-])c3)C2)nn1 ZINC001602497958 1018005525 /nfs/dbraw/zinc/00/55/25/1018005525.db2.gz FJGPSKNMXBRGHH-JTQLQIEISA-N -1 0 303.278 -0.303 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)CCc3cn[nH]n3)CC2)nn1 ZINC001602492791 1018005744 /nfs/dbraw/zinc/00/57/44/1018005744.db2.gz LJGIAYSRSAHTKO-UHFFFAOYSA-N -1 0 319.325 -0.109 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)nn1 ZINC001602501537 1018005788 /nfs/dbraw/zinc/00/57/88/1018005788.db2.gz OJNCITSZKLYOFD-JTQLQIEISA-N -1 0 321.337 -0.553 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)[C@@]3(O)CCOC3)C2)nn1 ZINC001602494534 1018006420 /nfs/dbraw/zinc/00/64/20/1018006420.db2.gz JNXQFKBMTOBOMY-NOZJJQNGSA-N -1 0 310.310 -0.709 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@@](CO)(C(F)(F)F)C2)nn1 ZINC001602501444 1018006445 /nfs/dbraw/zinc/00/64/45/1018006445.db2.gz IHUFFZCLWJEEBU-SNVBAGLBSA-N -1 0 322.243 -0.250 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CCOC3CCOCC3)C2)nn1 ZINC001602501730 1018006462 /nfs/dbraw/zinc/00/64/62/1018006462.db2.gz HUARKEAGJIYFTE-UHFFFAOYSA-N -1 0 324.337 -0.055 20 0 DBADRM O=C([O-])c1cn(CCN2C(=O)[C@@H]3[C@H]4CC[C@H](C4)N3C2=O)nn1 ZINC001602504231 1018007397 /nfs/dbraw/zinc/00/73/97/1018007397.db2.gz LHYSQXNRKDYKJU-XKSSXDPKSA-N -1 0 305.294 -0.209 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCC[C@@](O)(C3CC3)C2)nn1 ZINC001602503297 1018007614 /nfs/dbraw/zinc/00/76/14/1018007614.db2.gz HWLYVLFQGZUSRW-AWEZNQCLSA-N -1 0 323.353 -0.077 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@H](Cn3ccnn3)C2)nn1 ZINC001602502855 1018007943 /nfs/dbraw/zinc/00/79/43/1018007943.db2.gz OBUVKNUQXRACSL-VIFPVBQESA-N -1 0 305.298 -0.884 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCC[C@](O)(C3CC3)C2)nn1 ZINC001602503298 1018008255 /nfs/dbraw/zinc/00/82/55/1018008255.db2.gz HWLYVLFQGZUSRW-CQSZACIVSA-N -1 0 323.353 -0.077 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC001602507608 1018009360 /nfs/dbraw/zinc/00/93/60/1018009360.db2.gz RHURUSWSMLBKIL-OLZOCXBDSA-N -1 0 320.349 -0.154 20 0 DBADRM O=C([O-])c1cnc(C(=O)NC[C@]23COC(=O)N2CCOC3)cn1 ZINC001602508137 1018009853 /nfs/dbraw/zinc/00/98/53/1018009853.db2.gz BQTHXPRHHXJGQG-ZDUSSCGKSA-N -1 0 322.277 -0.874 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cn1 ZINC001602507610 1018011106 /nfs/dbraw/zinc/01/11/06/1018011106.db2.gz RHURUSWSMLBKIL-STQMWFEESA-N -1 0 320.349 -0.154 20 0 DBADRM O=C([O-])c1cnc(C(=O)NC[C@@]2(OCCO)CCOC2)cn1 ZINC001602508219 1018011138 /nfs/dbraw/zinc/01/11/38/1018011138.db2.gz OGFUCPWMZSXHIR-ZDUSSCGKSA-N -1 0 311.294 -0.927 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cn1 ZINC001602508792 1018011592 /nfs/dbraw/zinc/01/15/92/1018011592.db2.gz OKQLLKRRNBTMQT-NXEZZACHSA-N -1 0 306.322 -0.544 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)cn1 ZINC001602508676 1018012089 /nfs/dbraw/zinc/01/20/89/1018012089.db2.gz BTLYSLWLCSIQCV-SECBINFHSA-N -1 0 319.321 -0.195 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)Cc3cc[nH]n3)CC2)nc1 ZINC001602526991 1018012350 /nfs/dbraw/zinc/01/23/50/1018012350.db2.gz JGTZHDNNDACWNF-UHFFFAOYSA-N -1 0 316.321 -0.211 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)[C@H]2CC2(F)F)nc1 ZINC001602529561 1018012441 /nfs/dbraw/zinc/01/24/41/1018012441.db2.gz GGLHHNOPLPBYDS-JGVFFNPUSA-N -1 0 316.264 -0.281 20 0 DBADRM O=C([O-])c1cnc(NC(=O)C2(n3cnnn3)CCOCC2)s1 ZINC001602528151 1018012556 /nfs/dbraw/zinc/01/25/56/1018012556.db2.gz JGRXKTSFHBKKEZ-UHFFFAOYSA-N -1 0 324.322 -0.028 20 0 DBADRM O=C([O-])c1cnc(N(CCNC(=O)c2cnon2)C2CC2)nc1 ZINC001602525266 1018012581 /nfs/dbraw/zinc/01/25/81/1018012581.db2.gz LLVHXKMFLWHLMD-UHFFFAOYSA-N -1 0 318.293 -0.043 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)[C@H]3COCCO3)C2)nc1 ZINC001602528019 1018012613 /nfs/dbraw/zinc/01/26/13/1018012613.db2.gz OPWHNEYDBWXOKV-WDEREUQCSA-N -1 0 322.321 -0.715 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)nc1 ZINC001602528389 1018012710 /nfs/dbraw/zinc/01/27/10/1018012710.db2.gz ZEGILXKKVPKDOB-GMTAPVOTSA-N -1 0 322.321 -0.981 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)c2cccnc2)nc1 ZINC001602530381 1018013289 /nfs/dbraw/zinc/01/32/89/1018013289.db2.gz QVTLGZMPQDWHER-NSHDSACASA-N -1 0 317.305 -0.227 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)[C@@H]2CC2(F)F)nc1 ZINC001602529567 1018013544 /nfs/dbraw/zinc/01/35/44/1018013544.db2.gz GGLHHNOPLPBYDS-YUMQZZPRSA-N -1 0 316.264 -0.281 20 0 DBADRM O=C([O-])c1cnc(N[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)nc1 ZINC001602529664 1018013574 /nfs/dbraw/zinc/01/35/74/1018013574.db2.gz BXKBEFWNFVSCBU-ZJUUUORDSA-N -1 0 319.321 -0.676 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)C2CCOCC2)nc1 ZINC001602529726 1018013683 /nfs/dbraw/zinc/01/36/83/1018013683.db2.gz IEVCIXOOKBPCKB-LLVKDONJSA-N -1 0 324.337 -0.510 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)c2ccncn2)nc1 ZINC001602530662 1018013868 /nfs/dbraw/zinc/01/38/68/1018013868.db2.gz RLQNUDCRPINDST-SECBINFHSA-N -1 0 318.293 -0.832 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)[C@@H]2CC2(F)F)nc1 ZINC001602530319 1018014440 /nfs/dbraw/zinc/01/44/40/1018014440.db2.gz QBEBEMSBXUCRGA-SFYZADRCSA-N -1 0 316.264 -0.281 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)c3cn[nH]c3)CC2)nc1 ZINC001602527158 1018014456 /nfs/dbraw/zinc/01/44/56/1018014456.db2.gz NVZNKFPTXNNJIP-UHFFFAOYSA-N -1 0 302.294 -0.140 20 0 DBADRM O=C([O-])c1cnc(NCCCNC(=O)[C@H]2CCNC2=O)nc1 ZINC001602532691 1018014888 /nfs/dbraw/zinc/01/48/88/1018014888.db2.gz XDUNTHXUADCIMG-SECBINFHSA-N -1 0 307.310 -0.771 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCC(N3CCNC3=O)CC2)c1 ZINC001602543958 1018015668 /nfs/dbraw/zinc/01/56/68/1018015668.db2.gz CAKLGPYENHMWAU-UHFFFAOYSA-N -1 0 321.337 -0.403 20 0 DBADRM O=C([O-])c1cnc(NCCNC(=O)c2cc3n(n2)CCO3)nc1 ZINC001602532475 1018015930 /nfs/dbraw/zinc/01/59/30/1018015930.db2.gz VKZZBFCXPHKCHM-UHFFFAOYSA-N -1 0 318.293 -0.394 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N2CC[C@@H](O)[C@@H](F)C2)c1 ZINC001602542339 1018016113 /nfs/dbraw/zinc/01/61/13/1018016113.db2.gz UKAQWCWRKSFOFC-VHSXEESVSA-N -1 0 304.299 -0.127 20 0 DBADRM O=C([O-])c1cnc(NCCN(CCO)C(=O)c2ccon2)nc1 ZINC001602532519 1018016495 /nfs/dbraw/zinc/01/64/95/1018016495.db2.gz XWXVNYLHTNENKZ-UHFFFAOYSA-N -1 0 321.293 -0.291 20 0 DBADRM O=C([O-])c1cncnc1N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001602545027 1018016633 /nfs/dbraw/zinc/01/66/33/1018016633.db2.gz ATVGCGBHHJZAKA-GFCCVEGCSA-N -1 0 313.335 -0.431 20 0 DBADRM O=C([O-])c1cncc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)c1 ZINC001602533764 1018016694 /nfs/dbraw/zinc/01/66/94/1018016694.db2.gz JJTXBLXNSZBMDC-NWDGAFQWSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)NC[C@]2(O)CCSC2)c1 ZINC001602542959 1018017221 /nfs/dbraw/zinc/01/72/21/1018017221.db2.gz UQRQJWGSTWBQSK-LLVKDONJSA-N -1 0 318.376 -0.074 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)C2(F)CCOCC2)n1 ZINC001602572892 1018017494 /nfs/dbraw/zinc/01/74/94/1018017494.db2.gz CQCHFYTZFDLTOK-UHFFFAOYSA-N -1 0 312.301 -0.357 20 0 DBADRM O=C([O-])c1nccc(N2CCN(C(=O)Cc3nnc[nH]3)CC2)n1 ZINC001602571923 1018017973 /nfs/dbraw/zinc/01/79/73/1018017973.db2.gz LXFRNCAWSXETRB-UHFFFAOYSA-N -1 0 317.309 -0.816 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)c2csc(=O)[nH]2)n1 ZINC001602572885 1018018254 /nfs/dbraw/zinc/01/82/54/1018018254.db2.gz CHQCQGIXRQKYNJ-UHFFFAOYSA-N -1 0 323.334 -0.009 20 0 DBADRM O=C([O-])c1nccc(NC/C=C/CNC(=O)[C@@H]2CCCO2)n1 ZINC001602573057 1018018387 /nfs/dbraw/zinc/01/83/87/1018018387.db2.gz FCXFCNLKCWVMNA-YOLVWIGZSA-N -1 0 306.322 -0.140 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001602565649 1018019260 /nfs/dbraw/zinc/01/92/60/1018019260.db2.gz CLGQIELTIGKYBL-KOLCDFICSA-N -1 0 324.337 -0.074 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2C[C@H](CO)[C@@H](CCO)C2)c1 ZINC001602555722 1018019286 /nfs/dbraw/zinc/01/92/86/1018019286.db2.gz KNDDVNFEQSFZCE-WCBMZHEXSA-N -1 0 319.335 -0.411 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)[C@@H]2CC23CC3)n1 ZINC001602575466 1018020663 /nfs/dbraw/zinc/02/06/63/1018020663.db2.gz YJAJVHDCXSEOEK-IUCAKERBSA-N -1 0 306.322 -0.714 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)n1 ZINC001602575154 1018021265 /nfs/dbraw/zinc/02/12/65/1018021265.db2.gz RQOKQNFSASDMAO-QMMMGPOBSA-N -1 0 317.309 -0.569 20 0 DBADRM O=C([O-])c1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCOC2)n1 ZINC001602574875 1018021603 /nfs/dbraw/zinc/02/16/03/1018021603.db2.gz YHRGYKMTSWPSNE-SVDPJWKOSA-N -1 0 318.333 -0.238 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)n1 ZINC001602575062 1018021791 /nfs/dbraw/zinc/02/17/91/1018021791.db2.gz QYLSUMCXOURWEH-WMFXKJRFSA-N -1 0 318.333 -0.354 20 0 DBADRM O=C([O-])c1ncn(CN2CCN(C(=O)c3ccccn3)CC2)n1 ZINC001602580802 1018022039 /nfs/dbraw/zinc/02/20/39/1018022039.db2.gz FLXCHURCVZHHMW-UHFFFAOYSA-N -1 0 316.321 -0.213 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N[C@H](CO)c1ncc[nH]1 ZINC001602583132 1018023274 /nfs/dbraw/zinc/02/32/74/1018023274.db2.gz JYJKWFOYOPPAFZ-RXMQYKEDSA-N -1 0 318.336 -0.424 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NCCCn1cncn1 ZINC001602578961 1018023534 /nfs/dbraw/zinc/02/35/34/1018023534.db2.gz YXDWTEIKWSHBFW-UHFFFAOYSA-N -1 0 311.323 -0.260 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001602584718 1018024020 /nfs/dbraw/zinc/02/40/20/1018024020.db2.gz JEMMYMNDAFVAON-DTWKUNHWSA-N -1 0 314.294 -0.909 20 0 DBADRM O=C([O-])[C@]1(N2CCN([C@H]3CCN(C4CC4)C3=O)CC2)CCOC1 ZINC001602628915 1018024418 /nfs/dbraw/zinc/02/44/18/1018024418.db2.gz BNKBVJWXIFBBPQ-BBRMVZONSA-N -1 0 323.393 -0.389 20 0 DBADRM O=C([O-])[C@@]1(N2CCN([C@H]3CCN(C4CC4)C3=O)CC2)CCOC1 ZINC001602628918 1018024945 /nfs/dbraw/zinc/02/49/45/1018024945.db2.gz BNKBVJWXIFBBPQ-XJKSGUPXSA-N -1 0 323.393 -0.389 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 ZINC001602623894 1018025235 /nfs/dbraw/zinc/02/52/35/1018025235.db2.gz HGSAYPMVNJKRGQ-UHFFFAOYSA-N -1 0 315.285 -0.496 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001602624840 1018026543 /nfs/dbraw/zinc/02/65/43/1018026543.db2.gz MTQVVVJZLUHICH-AWEZNQCLSA-N -1 0 302.290 -0.071 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccccc2Cn2cncn2)C1 ZINC001602627192 1018026563 /nfs/dbraw/zinc/02/65/63/1018026563.db2.gz LNHBCFIIENDTHA-UHFFFAOYSA-N -1 0 302.290 -0.402 20 0 DBADRM O=C([O-])c1c(F)cccc1NC(=O)C(=O)N[C@H]1CNC(=O)C1 ZINC001602636018 1018026843 /nfs/dbraw/zinc/02/68/43/1018026843.db2.gz ALMKYGFWRQPHAW-ZCFIWIBFSA-N -1 0 309.253 -0.533 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CNC(=O)C2)cn1 ZINC001602632957 1018027048 /nfs/dbraw/zinc/02/70/48/1018027048.db2.gz AEQBBKGXZIBLEH-QMMMGPOBSA-N -1 0 313.335 -0.416 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C3=C4CCCN=C4NN3)C[C@H]1COCC2 ZINC001602630285 1018027341 /nfs/dbraw/zinc/02/73/41/1018027341.db2.gz DEXDKNOWBNXPFA-BJOHPYRUSA-N -1 0 320.349 -0.510 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)nn1 ZINC001602633176 1018027419 /nfs/dbraw/zinc/02/74/19/1018027419.db2.gz BZSGPFUUJMJZCH-BDAKNGLRSA-N -1 0 308.294 -0.297 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cncc(N3CCOCC3)c2)C1 ZINC001602630165 1018027748 /nfs/dbraw/zinc/02/77/48/1018027748.db2.gz YIVBYUKLZLZLOP-HNNXBMFYSA-N -1 0 321.333 -0.420 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCC[C@H]2CNC(=O)C2)cn1 ZINC001602632956 1018027958 /nfs/dbraw/zinc/02/79/58/1018027958.db2.gz AEQBBKGXZIBLEH-MRVPVSSYSA-N -1 0 313.335 -0.416 20 0 DBADRM O=C([O-])c1cc(F)ccc1S(=O)(=O)NC[C@@H]1CNC(=O)C1 ZINC001602636491 1018028091 /nfs/dbraw/zinc/02/80/91/1018028091.db2.gz GMPLFFVJXCMQGS-ZETCQYMHSA-N -1 0 316.310 -0.062 20 0 DBADRM O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001602634221 1018028604 /nfs/dbraw/zinc/02/86/04/1018028604.db2.gz WEZZQRZBABCQHX-HFXIDOFESA-N -1 0 324.333 -0.432 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)CN2CCCCC(=O)C2=O)C1 ZINC001602644224 1018029597 /nfs/dbraw/zinc/02/95/97/1018029597.db2.gz VTMCAPOOQHASJX-CYBMUJFWSA-N -1 0 300.286 -0.407 20 0 DBADRM O=C([O-])c1c(NC(=O)N[C@H]2CCC(=O)NC2=O)nc2n1CCC2 ZINC001602638390 1018029837 /nfs/dbraw/zinc/02/98/37/1018029837.db2.gz FEBZRNHRLJMKID-LURJTMIESA-N -1 0 321.293 -0.546 20 0 DBADRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C1=NN(CCO)C(=O)CC1 ZINC001602643580 1018029917 /nfs/dbraw/zinc/02/99/17/1018029917.db2.gz VGKNHWGRYYORQS-OTYXRUKQSA-N -1 0 309.322 -0.577 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NC[C@@H]2CC(=O)c3ccccc3O2)C1 ZINC001602637293 1018030302 /nfs/dbraw/zinc/03/03/02/1018030302.db2.gz OVIIHHWTZXQHIO-VIFPVBQESA-N -1 0 320.301 -0.139 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC001602636765 1018030631 /nfs/dbraw/zinc/03/06/31/1018030631.db2.gz IXJCUZOPXHXGJL-MNOVXSKESA-N -1 0 320.301 -0.933 20 0 DBADRM O=C([O-])C1(C2(O)CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CCC1 ZINC001602641800 1018030764 /nfs/dbraw/zinc/03/07/64/1018030764.db2.gz GBMIYMVHUQDHOG-SNVBAGLBSA-N -1 0 310.350 -0.127 20 0 DBADRM O=C([O-])c1ccc(/C=C/C(=O)N2CC(=O)NCC23COC3)o1 ZINC001602648217 1018031236 /nfs/dbraw/zinc/03/12/36/1018031236.db2.gz GMOQZMCCDOFMHN-DUXPYHPUSA-N -1 0 306.274 -0.282 20 0 DBADRM O=C([O-])c1nccc(N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)n1 ZINC001602647296 1018031270 /nfs/dbraw/zinc/03/12/70/1018031270.db2.gz NEWHDAPXKQLSBT-SECBINFHSA-N -1 0 319.321 -0.898 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)[C@H]3CCCC(=O)N3)C2)nn1 ZINC001602645354 1018031538 /nfs/dbraw/zinc/03/15/38/1018031538.db2.gz CSAVBGHUIZFQAY-NXEZZACHSA-N -1 0 321.337 -0.192 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)N2CCNC(=O)CC2)CC1 ZINC001602644564 1018031765 /nfs/dbraw/zinc/03/17/65/1018031765.db2.gz GPRTZZHBVKOXNX-UHFFFAOYSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)CN1CCC(=O)NC1=O)CC2 ZINC001602646789 1018031800 /nfs/dbraw/zinc/03/18/00/1018031800.db2.gz OUNYKMZIEMEJPO-OTYXRUKQSA-N -1 0 309.322 -0.216 20 0 DBADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCC(=O)NCC23COC3)C1 ZINC001602644992 1018032006 /nfs/dbraw/zinc/03/20/06/1018032006.db2.gz SSPRVXARQLRZNQ-QWRGUYRKSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)N2CCNC(=O)CC2)c1 ZINC001602644944 1018032037 /nfs/dbraw/zinc/03/20/37/1018032037.db2.gz SEWJIXMVXKQMDD-UHFFFAOYSA-N -1 0 323.280 -0.189 20 0 DBADRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)CN1CCC(=O)NC1=O ZINC001602646336 1018032186 /nfs/dbraw/zinc/03/21/86/1018032186.db2.gz FUEGRCYHDKMLDE-YFKPBYRVSA-N -1 0 311.216 -0.550 20 0 DBADRM O=C([O-])c1cn(CCNc2ncnc3c2NC(=O)CS3)nn1 ZINC001602653083 1018033405 /nfs/dbraw/zinc/03/34/05/1018033405.db2.gz JTGGLUHOJFSTKB-UHFFFAOYSA-N -1 0 321.322 -0.077 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)c1cccc2c1NC(=O)CO2 ZINC001602653718 1018033910 /nfs/dbraw/zinc/03/39/10/1018033910.db2.gz VZQWZOMXGWFLAX-BGIOPWKHSA-N -1 0 306.274 -0.275 20 0 DBADRM O=C([O-])C1CN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1 ZINC001602652282 1018034540 /nfs/dbraw/zinc/03/45/40/1018034540.db2.gz WTDFUQDEFAUIBW-UHFFFAOYSA-N -1 0 303.274 -0.475 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)c2ccnc3c2CC(=O)N3)CC1 ZINC001602653978 1018034700 /nfs/dbraw/zinc/03/47/00/1018034700.db2.gz ZGQZCGDYTOHHSF-GFCCVEGCSA-N -1 0 319.317 -0.126 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CSCC(=O)N1)[C@@H]1CCOC1 ZINC001602654105 1018034815 /nfs/dbraw/zinc/03/48/15/1018034815.db2.gz TYSGPTJVPQCQSW-HLTSFMKQSA-N -1 0 302.352 -0.929 20 0 DBADRM O=C([O-])c1ccc(C(=O)COC(=O)CN2CC(=O)NC2=O)cc1 ZINC001602650645 1018034987 /nfs/dbraw/zinc/03/49/87/1018034987.db2.gz WDTMFKPLPMHOIZ-UHFFFAOYSA-N -1 0 320.257 -0.338 20 0 DBADRM O=C([O-])c1cccc2c1CCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001602656725 1018035796 /nfs/dbraw/zinc/03/57/96/1018035796.db2.gz UXRQQIUFEOCEDK-VIFPVBQESA-N -1 0 303.274 -0.128 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC([C@@H]3COC(=O)N3)CC2)O1 ZINC001602656819 1018036482 /nfs/dbraw/zinc/03/64/82/1018036482.db2.gz YTWRGKFZACISMR-AXFHLTTASA-N -1 0 312.322 -0.034 20 0 DBADRM O=C([O-])c1cncc(NC[C@H]2CCC[C@]23NC(=O)NC3=O)n1 ZINC001602655173 1018036612 /nfs/dbraw/zinc/03/66/12/1018036612.db2.gz NKSPTNTYIKDJCS-UHLUBPPHSA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001602656269 1018036727 /nfs/dbraw/zinc/03/67/27/1018036727.db2.gz MEWSQPNFDVTTFX-AEJSXWLSSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCC([C@@H]3COC(=O)N3)CC2)n1 ZINC001602656582 1018037110 /nfs/dbraw/zinc/03/71/10/1018037110.db2.gz VELUZTZDVTWFHW-NSHDSACASA-N -1 0 322.321 -0.072 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c[nH]1 ZINC001602655193 1018037185 /nfs/dbraw/zinc/03/71/85/1018037185.db2.gz NVWYIYAHUBDWSD-CLAHSXSESA-N -1 0 320.305 -0.179 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)[C@@H]3CCOC(=O)N3)C2)nn1 ZINC001602656491 1018037364 /nfs/dbraw/zinc/03/73/64/1018037364.db2.gz PJJHPCHBEJWCCD-YUMQZZPRSA-N -1 0 309.282 -0.752 20 0 DBADRM O=CN1CCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001602663454 1018037707 /nfs/dbraw/zinc/03/77/07/1018037707.db2.gz RSGYVGOMNKJVLM-PWSUYJOCSA-N -1 0 321.337 -0.239 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCC[C@H]3CCNC(=O)[C@@H]32)CCC1 ZINC001602659832 1018038277 /nfs/dbraw/zinc/03/82/77/1018038277.db2.gz TZJYIOXAWBTODT-VHSXEESVSA-N -1 0 316.379 -0.076 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCC[C@H]2CCOC2=O)CCO1 ZINC001602662125 1018038414 /nfs/dbraw/zinc/03/84/14/1018038414.db2.gz YRJMNVPYGKGMKJ-VHSXEESVSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)[C@@H]([C@@H]2CCCO2)C1 ZINC001602659951 1018038428 /nfs/dbraw/zinc/03/84/28/1018038428.db2.gz YNYQZFPHYJZSPJ-MMWGEVLESA-N -1 0 312.322 -0.034 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1coc2c1C(=O)NCCC2 ZINC001602658543 1018038653 /nfs/dbraw/zinc/03/86/53/1018038653.db2.gz NFJQSXNDPUHMPJ-VXNVDRBHSA-N -1 0 308.290 -0.384 20 0 DBADRM O=CN1CCC[C@@H]1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001602663452 1018038703 /nfs/dbraw/zinc/03/87/03/1018038703.db2.gz RSGYVGOMNKJVLM-CMPLNLGQSA-N -1 0 321.337 -0.239 20 0 DBADRM O=C([O-])[C@]1([NH+]2CCN(CC[C@@H]3CCNC3=O)CC2)CCOC1 ZINC001602657588 1018038992 /nfs/dbraw/zinc/03/89/92/1018038992.db2.gz BCPXFOJCSQSAHO-WFASDCNBSA-N -1 0 311.382 -0.626 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)C1 ZINC001602658254 1018039157 /nfs/dbraw/zinc/03/91/57/1018039157.db2.gz IWYXXNSICGOCRM-RKDXNWHRSA-N -1 0 321.293 -0.710 20 0 DBADRM O=C([O-])C1(C2(O)CCN(C(=O)[C@H]3CCNC3=O)CC2)CCC1 ZINC001602659731 1018039511 /nfs/dbraw/zinc/03/95/11/1018039511.db2.gz SASZLVQJZUNTIP-JTQLQIEISA-N -1 0 310.350 -0.269 20 0 DBADRM O=C([O-])[C@@]1([NH+]2CCN(CC[C@@H]3CCNC3=O)CC2)CCOC1 ZINC001602657586 1018039537 /nfs/dbraw/zinc/03/95/37/1018039537.db2.gz BCPXFOJCSQSAHO-SWLSCSKDSA-N -1 0 311.382 -0.626 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCC[C@@H]3CCNC(=O)[C@@H]32)CCC1 ZINC001602659827 1018039566 /nfs/dbraw/zinc/03/95/66/1018039566.db2.gz TZJYIOXAWBTODT-NXEZZACHSA-N -1 0 316.379 -0.076 20 0 DBADRM O=C([O-])c1ccc2[nH]c(CNC(=O)[C@H]3COC(=O)N3)nc2c1 ZINC001602658182 1018039614 /nfs/dbraw/zinc/03/96/14/1018039614.db2.gz PDQFDWPLAJDAHE-SECBINFHSA-N -1 0 304.262 -0.014 20 0 DBADRM O=Cc1ccc(OCC(=O)NCCC(=O)NCCC(=O)[O-])cc1 ZINC001602666653 1018040579 /nfs/dbraw/zinc/04/05/79/1018040579.db2.gz FJCGPLBLOJWXSI-UHFFFAOYSA-N -1 0 322.317 -0.025 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCc3c(=O)[nH]cnc3C2)C1 ZINC001602668800 1018041351 /nfs/dbraw/zinc/04/13/51/1018041351.db2.gz WALOJOXBHXOSND-OCAPTIKFSA-N -1 0 313.335 -0.267 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H](CC)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001499274493 1018053248 /nfs/dbraw/zinc/05/32/48/1018053248.db2.gz RPAPMWJESQRLPG-NKWVEPMBSA-N -1 0 315.305 -0.345 20 0 DBADRM COc1ccc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC001499284412 1018056019 /nfs/dbraw/zinc/05/60/19/1018056019.db2.gz XQWZMWAWBFMSSR-UHFFFAOYSA-N -1 0 318.337 -0.034 20 0 DBADRM CC(=O)NCCN(C(=O)Cc1nnc(C2CC2)[nH]1)[C@@H](C)C(=O)[O-] ZINC001602755526 1018059128 /nfs/dbraw/zinc/05/91/28/1018059128.db2.gz BAQXVNJVNXNBPP-QMMMGPOBSA-N -1 0 323.353 -0.338 20 0 DBADRM CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001602765183 1018060299 /nfs/dbraw/zinc/06/02/99/1018060299.db2.gz KXCLGVYGKVQUSF-CQSZACIVSA-N -1 0 323.305 -0.465 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1cnccn1)[C@H](C)C(=O)[O-] ZINC001602755942 1018060826 /nfs/dbraw/zinc/06/08/26/1018060826.db2.gz YEQREFLYEDPORY-SNVBAGLBSA-N -1 0 308.338 -0.153 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])n1cccc1 ZINC001602789756 1018064418 /nfs/dbraw/zinc/06/44/18/1018064418.db2.gz WBHNLNASAKQOCU-VHSXEESVSA-N -1 0 300.336 -0.241 20 0 DBADRM CC(=O)OC[C@@H](CO)NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001602766974 1018064460 /nfs/dbraw/zinc/06/44/60/1018064460.db2.gz JSVLLTCISYVIFU-SNVBAGLBSA-N -1 0 303.311 -0.702 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)C(=O)Nc1cnc(N(C)C)nc1)C1CC1 ZINC001602815240 1018065371 /nfs/dbraw/zinc/06/53/71/1018065371.db2.gz YMILVFWNDZKPIP-QMMMGPOBSA-N -1 0 321.337 -0.055 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)OCC(=O)c1ccc(S(C)(=O)=O)nc1 ZINC001602808465 1018065737 /nfs/dbraw/zinc/06/57/37/1018065737.db2.gz BISNKZXSKFEJAW-SSDOTTSWSA-N -1 0 315.303 -0.068 20 0 DBADRM C[C@H](C(=O)[O-])N(Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C1CC1 ZINC001602821914 1018065795 /nfs/dbraw/zinc/06/57/95/1018065795.db2.gz VNDRLHJUIURVGG-SSDOTTSWSA-N -1 0 321.337 -0.602 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001602814310 1018066747 /nfs/dbraw/zinc/06/67/47/1018066747.db2.gz IWVFJTXVGUNCJS-GXSJLCMTSA-N -1 0 318.395 -0.431 20 0 DBADRM C[C@@H](C(=O)[O-])c1noc(CN2CCN(S(C)(=O)=O)CC2)n1 ZINC001602829907 1018067187 /nfs/dbraw/zinc/06/71/87/1018067187.db2.gz ANMQOCCOPPPTCR-MRVPVSSYSA-N -1 0 318.355 -0.665 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 ZINC001602798000 1018067443 /nfs/dbraw/zinc/06/74/43/1018067443.db2.gz ZBYCWNFSVCWUDA-NSHDSACASA-N -1 0 312.370 -0.781 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC001602853130 1018069583 /nfs/dbraw/zinc/06/95/83/1018069583.db2.gz YZAISLIDQRYLQJ-SECBINFHSA-N -1 0 321.395 -0.211 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001602854693 1018069783 /nfs/dbraw/zinc/06/97/83/1018069783.db2.gz SRXVFUWYRKENIZ-WPRPVWTQSA-N -1 0 314.342 -0.750 20 0 DBADRM CC(C)(C)N1C[C@H](CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1=O ZINC001602868079 1018071643 /nfs/dbraw/zinc/07/16/43/1018071643.db2.gz DOBIDEQMLCORMC-WCBMZHEXSA-N -1 0 311.338 -0.021 20 0 DBADRM CC(C)(C)N(CCS(C)(=O)=O)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001602868454 1018071989 /nfs/dbraw/zinc/07/19/89/1018071989.db2.gz ITLBBCLFVMUDAB-SNVBAGLBSA-N -1 0 320.411 -0.183 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001602905634 1018075531 /nfs/dbraw/zinc/07/55/31/1018075531.db2.gz VESXADPEZLUWPK-IUCAKERBSA-N -1 0 318.326 -0.816 20 0 DBADRM CC(C)(C)OC(=O)NCCN(CCO)C(=O)NCCC(=O)[O-] ZINC001602905516 1018075600 /nfs/dbraw/zinc/07/56/00/1018075600.db2.gz OMPDFZJUDVCXGN-UHFFFAOYSA-N -1 0 319.358 -0.010 20 0 DBADRM CC(C)(C)n1[nH]cnc1=NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001602929149 1018076835 /nfs/dbraw/zinc/07/68/35/1018076835.db2.gz VJXYWLHOMRMXJL-UHFFFAOYSA-N -1 0 319.321 -0.046 20 0 DBADRM CC(=O)N1CC[C@@H](CCNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001602923750 1018077743 /nfs/dbraw/zinc/07/77/43/1018077743.db2.gz FFQWSHYEWBQAOL-SNVBAGLBSA-N -1 0 302.342 -0.251 20 0 DBADRM CC(C)(CCNC(=O)NC[C@]1(O)CCS(=O)(=O)C1)C(=O)[O-] ZINC001602940680 1018080520 /nfs/dbraw/zinc/08/05/20/1018080520.db2.gz QBUPMLFUSAMJHY-GFCCVEGCSA-N -1 0 322.383 -0.664 20 0 DBADRM CC(C)(CCNC(=O)NC[C@@H](O)CS(C)(=O)=O)C(=O)[O-] ZINC001602940764 1018081225 /nfs/dbraw/zinc/08/12/25/1018081225.db2.gz XEURHLMSLFFCLM-MRVPVSSYSA-N -1 0 310.372 -0.808 20 0 DBADRM CC(C)(CCCO)CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001602938725 1018082684 /nfs/dbraw/zinc/08/26/84/1018082684.db2.gz SQOBMMLFHJRPAI-SNVBAGLBSA-N -1 0 300.355 -0.166 20 0 DBADRM CC(C)(CO)N1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001602948441 1018084717 /nfs/dbraw/zinc/08/47/17/1018084717.db2.gz FBZZWKVPSGZMFL-AWEZNQCLSA-N -1 0 300.355 -0.465 20 0 DBADRM CC(C)(CNC(N)=O)NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001602948603 1018085618 /nfs/dbraw/zinc/08/56/18/1018085618.db2.gz IRZTYNCSKDWRDZ-RKDXNWHRSA-N -1 0 301.343 -0.181 20 0 DBADRM C/C(=C\CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)C(=O)[O-] ZINC001602962626 1018085679 /nfs/dbraw/zinc/08/56/79/1018085679.db2.gz LWLGMGPGROCLHB-KRXBUXKQSA-N -1 0 316.335 -0.484 20 0 DBADRM CC(=O)OCCn1c(=O)c(-c2nnn[n-]2)c(C)n(C2CC2)c1=O ZINC001602958549 1018086035 /nfs/dbraw/zinc/08/60/35/1018086035.db2.gz XNNLJSFCRDOIIK-UHFFFAOYSA-N -1 0 320.309 -0.603 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC(O)(COCCO)CC1 ZINC001602961294 1018086373 /nfs/dbraw/zinc/08/63/73/1018086373.db2.gz VWWXYOJZSOYKJL-LLVKDONJSA-N -1 0 303.355 -0.294 20 0 DBADRM CC(=O)OC1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001602958170 1018086799 /nfs/dbraw/zinc/08/67/99/1018086799.db2.gz NLRJVRVPKFOHSF-UHFFFAOYSA-N -1 0 320.313 -0.988 20 0 DBADRM CC(C)(O)CCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001602955043 1018086846 /nfs/dbraw/zinc/08/68/46/1018086846.db2.gz WKSCRFOVMBFADH-JTQLQIEISA-N -1 0 315.370 -0.088 20 0 DBADRM C/C(=C\CNC(=O)N1CCCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001602966900 1018086982 /nfs/dbraw/zinc/08/69/82/1018086982.db2.gz FGSYEPTUYCPXLW-ONNFQVAWSA-N -1 0 319.383 -0.306 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O ZINC001602970843 1018088727 /nfs/dbraw/zinc/08/87/27/1018088727.db2.gz WLUSMGZGPJPMFC-ONGXEEELSA-N -1 0 314.338 -0.247 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CC(O)(c2ncnn2C)C1)C(=O)[O-] ZINC001602978647 1018088879 /nfs/dbraw/zinc/08/88/79/1018088879.db2.gz JMBTZGANLCFUIY-VIFPVBQESA-N -1 0 311.342 -0.615 20 0 DBADRM C[C@@H](C(=O)N(C)[C@@H]1CCCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001602990167 1018090690 /nfs/dbraw/zinc/09/06/90/1018090690.db2.gz VZTWHZXUKHTKHM-DTWKUNHWSA-N -1 0 306.330 -0.343 20 0 DBADRM CC(C)[C@](C)(CO)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001603004160 1018092274 /nfs/dbraw/zinc/09/22/74/1018092274.db2.gz BIBUBKBATIATRL-UFBFGSQYSA-N -1 0 308.346 -0.458 20 0 DBADRM CC(=O)N(C)CC(=O)OCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001603005948 1018092721 /nfs/dbraw/zinc/09/27/21/1018092721.db2.gz ZXKDELSMYBEKGZ-JTQLQIEISA-N -1 0 302.327 -0.377 20 0 DBADRM CC(C)[C@H](CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001602991984 1018093564 /nfs/dbraw/zinc/09/35/64/1018093564.db2.gz XGGJSEWMELEICU-ZETCQYMHSA-N -1 0 319.339 -0.879 20 0 DBADRM C[C@@H](C(=O)N[C@H]1C(=O)OCC1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001603007903 1018093597 /nfs/dbraw/zinc/09/35/97/1018093597.db2.gz LSKOPNARGCVDBI-BQBZGAKWSA-N -1 0 320.313 -0.913 20 0 DBADRM C[C@H](C(=O)N(CCO)CC1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001602990674 1018094139 /nfs/dbraw/zinc/09/41/39/1018094139.db2.gz MLXYRRKKXOIWMJ-MRVPVSSYSA-N -1 0 306.330 -0.750 20 0 DBADRM C[C@@H](C(=O)NCCc1cc[nH]n1)n1cnc(-c2nnn[n-]2)n1 ZINC001603017108 1018096416 /nfs/dbraw/zinc/09/64/16/1018096416.db2.gz OFJUSNIXDUTFOT-ZETCQYMHSA-N -1 0 302.302 -0.899 20 0 DBADRM C[C@@H](C(=O)NCCc1ncc[nH]1)n1cnc(-c2nnn[n-]2)n1 ZINC001603017542 1018097100 /nfs/dbraw/zinc/09/71/00/1018097100.db2.gz VJAABSZAVQHFCT-ZETCQYMHSA-N -1 0 302.302 -0.899 20 0 DBADRM C[C@H](C(=O)N[C@H]1C(=O)OCC1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001603007906 1018097312 /nfs/dbraw/zinc/09/73/12/1018097312.db2.gz LSKOPNARGCVDBI-RQJHMYQMSA-N -1 0 320.313 -0.913 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC001603016467 1018098510 /nfs/dbraw/zinc/09/85/10/1018098510.db2.gz LFMLSAFAUWXOPO-WFASDCNBSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCCC1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001603013283 1018098961 /nfs/dbraw/zinc/09/89/61/1018098961.db2.gz SUDIIPOEBAVYFF-SFYZADRCSA-N -1 0 304.314 -0.495 20 0 DBADRM CC(=O)N1C[C@@H](C(=O)N[C@](C)(CO)C(=O)[O-])Oc2ccccc21 ZINC001603013310 1018099666 /nfs/dbraw/zinc/09/96/66/1018099666.db2.gz ISOCHGIMGMNRAK-SWLSCSKDSA-N -1 0 322.317 -0.248 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1COC(C)(C)O1)n1cnc(-c2nnn[n-]2)n1 ZINC001603017164 1018100656 /nfs/dbraw/zinc/10/06/56/1018100656.db2.gz YYNIQSJQHUGNKA-HTQZYQBOSA-N -1 0 322.329 -0.713 20 0 DBADRM CC(=O)N1CC[C@@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC001603025298 1018102642 /nfs/dbraw/zinc/10/26/42/1018102642.db2.gz AKTDWKKCMVBBJV-SNVBAGLBSA-N -1 0 304.368 -0.219 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001603024376 1018103280 /nfs/dbraw/zinc/10/32/80/1018103280.db2.gz JJMIRYWYAQALKA-UHFFFAOYSA-N -1 0 309.322 -0.128 20 0 DBADRM CC(=O)N/C(=C/c1ccccc1)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001603032253 1018104395 /nfs/dbraw/zinc/10/43/95/1018104395.db2.gz ZFRVFXHOJNJPKD-KPKJPENVSA-N -1 0 304.302 -0.179 20 0 DBADRM CC(=O)N1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)C1 ZINC001603025936 1018106777 /nfs/dbraw/zinc/10/67/77/1018106777.db2.gz LUXMURFHZKEPRR-NEPJUHHUSA-N -1 0 310.350 -0.053 20 0 DBADRM CC(=O)N[C@@H](C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)C(C)C ZINC001603034750 1018108376 /nfs/dbraw/zinc/10/83/76/1018108376.db2.gz BVVJYIJGFARTNT-BXUZGUMPSA-N -1 0 311.338 -0.021 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001603035970 1018109192 /nfs/dbraw/zinc/10/91/92/1018109192.db2.gz YOPXFUVJPNDOBY-YUMQZZPRSA-N -1 0 309.326 -0.384 20 0 DBADRM CC(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001603042910 1018109886 /nfs/dbraw/zinc/10/98/86/1018109886.db2.gz QJPIXGBCGBRUFS-JGVFFNPUSA-N -1 0 309.326 -0.962 20 0 DBADRM C[C@@H](C(=O)OCc1cnccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001603038063 1018109924 /nfs/dbraw/zinc/10/99/24/1018109924.db2.gz YIGLGBMLAHJWHU-ZETCQYMHSA-N -1 0 301.270 -0.447 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001603042912 1018110039 /nfs/dbraw/zinc/11/00/39/1018110039.db2.gz QJPIXGBCGBRUFS-YUMQZZPRSA-N -1 0 309.326 -0.962 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001603041912 1018110406 /nfs/dbraw/zinc/11/04/06/1018110406.db2.gz BBDKDBPOHNDXML-VIFPVBQESA-N -1 0 302.327 -0.519 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC(C(=O)[O-])C1 ZINC001603035385 1018110434 /nfs/dbraw/zinc/11/04/34/1018110434.db2.gz VMPVMTDPEKUAHS-UHFFFAOYSA-N -1 0 313.354 -0.661 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC=C[C@@H]1CO)CC(=O)[O-] ZINC001603042531 1018111505 /nfs/dbraw/zinc/11/15/05/1018111505.db2.gz RYJSRQNYLNCLKL-NWDGAFQWSA-N -1 0 312.366 -0.001 20 0 DBADRM C[C@@H](C(=O)OCCc1ccn(C)n1)n1cnc(-c2nnn[n-]2)n1 ZINC001603037088 1018111645 /nfs/dbraw/zinc/11/16/45/1018111645.db2.gz KJVPBHPBLUHDGO-QMMMGPOBSA-N -1 0 317.313 -0.461 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001603047697 1018112506 /nfs/dbraw/zinc/11/25/06/1018112506.db2.gz LTZONJOGINIAET-UHFFFAOYSA-N -1 0 313.335 -0.021 20 0 DBADRM CC(C)NC(=O)CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603068442 1018113081 /nfs/dbraw/zinc/11/30/81/1018113081.db2.gz NBDMCBDYHLSFMW-SNVBAGLBSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001603068278 1018113431 /nfs/dbraw/zinc/11/34/31/1018113431.db2.gz FMKMKVHMVYAUIZ-UWVGGRQHSA-N -1 0 312.322 -0.386 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001603047787 1018114104 /nfs/dbraw/zinc/11/41/04/1018114104.db2.gz QURZJCLMDWMQEK-UHFFFAOYSA-N -1 0 310.310 -0.446 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)Cc1noc(C2CC2)n1)C(=O)[O-] ZINC001603055430 1018114540 /nfs/dbraw/zinc/11/45/40/1018114540.db2.gz OKVPTRPYJLDRDF-FFVOIRBGSA-N -1 0 301.324 -0.215 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001603052079 1018114807 /nfs/dbraw/zinc/11/48/07/1018114807.db2.gz BILXVNBCTGLZLR-VIFPVBQESA-N -1 0 314.338 -0.042 20 0 DBADRM CC(C)N(C[C@H]1CCC(=O)N1)C(=O)C(=O)N(C)CCC(=O)[O-] ZINC001603065975 1018115554 /nfs/dbraw/zinc/11/55/54/1018115554.db2.gz QHNREYCYWNZFHU-SNVBAGLBSA-N -1 0 313.354 -0.565 20 0 DBADRM CC(=O)NCCCCCN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001603044727 1018115791 /nfs/dbraw/zinc/11/57/91/1018115791.db2.gz KJEPEYOKYYMDTF-GFCCVEGCSA-N -1 0 320.411 -0.134 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC001603121303 1018117870 /nfs/dbraw/zinc/11/78/70/1018117870.db2.gz UKDCIICRNMRJTN-ZCFIWIBFSA-N -1 0 311.269 -0.158 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NC[C@H](F)C(=O)[O-])s1 ZINC001603086262 1018118084 /nfs/dbraw/zinc/11/80/84/1018118084.db2.gz DKCLPRVCOXXXRA-YFKPBYRVSA-N -1 0 311.316 -0.198 20 0 DBADRM CC(=O)OC[C@@H](CO)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001603087804 1018118733 /nfs/dbraw/zinc/11/87/33/1018118733.db2.gz OTHIZEIWCNWWJD-OUAUKWLOSA-N -1 0 303.311 -0.561 20 0 DBADRM CC(C)Oc1cncc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001603086553 1018118838 /nfs/dbraw/zinc/11/88/38/1018118838.db2.gz FMSAYESAEVWLPW-LBPRGKRZSA-N -1 0 318.351 -0.017 20 0 DBADRM CC(=O)c1cc(C(=O)NCC(=O)NCC(=O)[O-])c(C)nc1C ZINC001603099646 1018119165 /nfs/dbraw/zinc/11/91/65/1018119165.db2.gz PCAMWMCOCMFTNV-UHFFFAOYSA-N -1 0 307.306 -0.168 20 0 DBADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)Cn1nc(C)n(C)c1=O ZINC001603101723 1018119332 /nfs/dbraw/zinc/11/93/32/1018119332.db2.gz UOZDELISGTWNAQ-UHFFFAOYSA-N -1 0 321.293 -0.242 20 0 DBADRM CC(C)n1cnnc1CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603115408 1018119564 /nfs/dbraw/zinc/11/95/64/1018119564.db2.gz ZPWXXFTZBJCYRH-JTQLQIEISA-N -1 0 323.353 -0.202 20 0 DBADRM CC(=O)c1cncc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC001603123483 1018120968 /nfs/dbraw/zinc/12/09/68/1018120968.db2.gz DXJZPRCRBWXDBV-LLVKDONJSA-N -1 0 305.290 -0.301 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N(CC(=O)[O-])C1CCOCC1 ZINC001603133398 1018121113 /nfs/dbraw/zinc/12/11/13/1018121113.db2.gz KYMZYPHPBPYBIR-SECBINFHSA-N -1 0 322.383 -0.642 20 0 DBADRM CC(=O)c1cn(CC(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)nn1 ZINC001603123679 1018122090 /nfs/dbraw/zinc/12/20/90/1018122090.db2.gz INXXEDAFIJSRHH-NSHDSACASA-N -1 0 324.337 -0.037 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001603133867 1018123500 /nfs/dbraw/zinc/12/35/00/1018123500.db2.gz OJKMSJNQBXDAMM-RKDXNWHRSA-N -1 0 324.424 -0.458 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC([C@H](C)O)CC1)C(=O)[O-] ZINC001603145321 1018125405 /nfs/dbraw/zinc/12/54/05/1018125405.db2.gz PCJIBIHDZMXXMD-ZJUUUORDSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@@H](CCO)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603143183 1018126053 /nfs/dbraw/zinc/12/60/53/1018126053.db2.gz VAFKZNHMEIFZPI-UWVGGRQHSA-N -1 0 301.343 -0.478 20 0 DBADRM C[C@@H](CCO)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603143184 1018126893 /nfs/dbraw/zinc/12/68/93/1018126893.db2.gz VAFKZNHMEIFZPI-VHSXEESVSA-N -1 0 301.343 -0.478 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCO[C@@]2(CCOC2)C1)C(=O)[O-] ZINC001603145295 1018127371 /nfs/dbraw/zinc/12/73/71/1018127371.db2.gz OVSNMBWXVONNKM-HZMBPMFUSA-N -1 0 314.338 -0.817 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1=O ZINC001603145257 1018127790 /nfs/dbraw/zinc/12/77/90/1018127790.db2.gz ODGMYIDCNYKRAH-ZJUUUORDSA-N -1 0 313.354 -0.709 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NCCC(=O)NC(C)(C)C)C(=O)[O-] ZINC001603145460 1018128600 /nfs/dbraw/zinc/12/86/00/1018128600.db2.gz RHMXTNQPBQRSQJ-SECBINFHSA-N -1 0 315.370 -0.414 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CC[C@H](O)C(F)(F)C1)C(=O)[O-] ZINC001603146039 1018130267 /nfs/dbraw/zinc/13/02/67/1018130267.db2.gz YFIHPIHYCPPPAK-YUMQZZPRSA-N -1 0 308.281 -0.606 20 0 DBADRM C[C@@H](CN(C)C(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001603155564 1018130579 /nfs/dbraw/zinc/13/05/79/1018130579.db2.gz DDCPOEGIPMFMEJ-ZETCQYMHSA-N -1 0 301.324 -0.478 20 0 DBADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1F)N1CCNCC1=O ZINC001603152422 1018131136 /nfs/dbraw/zinc/13/11/36/1018131136.db2.gz BQYALGBUYIXDME-ZANVPECISA-N -1 0 323.324 -0.112 20 0 DBADRM C[C@H](C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)[C@H](C)S(C)(=O)=O ZINC001603147629 1018131763 /nfs/dbraw/zinc/13/17/63/1018131763.db2.gz FIBVKUPKDKBTHU-KATARQTJSA-N -1 0 307.368 -0.244 20 0 DBADRM C[C@H](C(=O)N[C@H](CO)C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC001603156099 1018132109 /nfs/dbraw/zinc/13/21/09/1018132109.db2.gz RCKTWIDXHPPSFS-PSASIEDQSA-N -1 0 305.294 -0.537 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NCc1ccnc(N(C)C)n1)C(=O)[O-] ZINC001603146021 1018132975 /nfs/dbraw/zinc/13/29/75/1018132975.db2.gz YFBYCRJAEOBGNM-VIFPVBQESA-N -1 0 323.353 -0.662 20 0 DBADRM C[C@@H](C(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1)C1CCC1 ZINC001603164328 1018137091 /nfs/dbraw/zinc/13/70/91/1018137091.db2.gz NCDJJROXVTXDBG-MWLCHTKSSA-N -1 0 322.365 -0.078 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001603162549 1018137239 /nfs/dbraw/zinc/13/72/39/1018137239.db2.gz VUSXARWLZKBSLP-SNVBAGLBSA-N -1 0 314.386 -0.299 20 0 DBADRM C[C@H](C(=O)NCCn1cc(C(=O)[O-])nn1)[C@H](C)S(C)(=O)=O ZINC001603165835 1018138850 /nfs/dbraw/zinc/13/88/50/1018138850.db2.gz DWIUQUIXNJXUQJ-YUMQZZPRSA-N -1 0 318.355 -0.838 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)S(N)(=O)=O ZINC001603168137 1018139307 /nfs/dbraw/zinc/13/93/07/1018139307.db2.gz MRFJBSMPWBDAKP-HLTSFMKQSA-N -1 0 308.356 -0.951 20 0 DBADRM C[C@H](C(=O)NCCn1cc(C(=O)[O-])nn1)N1CCSCC1 ZINC001603166894 1018139393 /nfs/dbraw/zinc/13/93/93/1018139393.db2.gz QDDICDMSKFIIKZ-SECBINFHSA-N -1 0 313.383 -0.470 20 0 DBADRM C[C@@H](CNC(=O)N1CCN(Cc2nccn2C)CC1)C(=O)[O-] ZINC001603175499 1018142215 /nfs/dbraw/zinc/14/22/15/1018142215.db2.gz QUAWRTKLHGXGJY-NSHDSACASA-N -1 0 309.370 -0.032 20 0 DBADRM C[C@@H](CS(=O)(=O)N(C)C)OC(=O)c1cnc(C(=O)[O-])cn1 ZINC001603199319 1018143811 /nfs/dbraw/zinc/14/38/11/1018143811.db2.gz JAYDDXJUOJDQSM-ZETCQYMHSA-N -1 0 317.323 -0.389 20 0 DBADRM C[C@H](CNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1)C(=O)[O-] ZINC001603185080 1018144743 /nfs/dbraw/zinc/14/47/43/1018144743.db2.gz NQFKEKNJCXXJFB-WQAKAFBOSA-N -1 0 321.333 -0.183 20 0 DBADRM CC(F)(F)CN1CCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001603208686 1018146837 /nfs/dbraw/zinc/14/68/37/1018146837.db2.gz ZIATTZIBQATVJC-JTQLQIEISA-N -1 0 305.325 -0.055 20 0 DBADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCC1)c1nnc2c(=O)[nH]ccn21 ZINC001603215349 1018146885 /nfs/dbraw/zinc/14/68/85/1018146885.db2.gz DWLDOBADYRSFFD-SSDOTTSWSA-N -1 0 305.294 -0.150 20 0 DBADRM C[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])[C@@H](C)N1CCOCC1 ZINC001603210992 1018147805 /nfs/dbraw/zinc/14/78/05/1018147805.db2.gz QWXCXVTWCPXWCQ-GHMZBOCLSA-N -1 0 315.370 -0.807 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC=C[C@H]1CO)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603211022 1018148604 /nfs/dbraw/zinc/14/86/04/1018148604.db2.gz RYTZMVLUISSJJR-FIQHERPVSA-N -1 0 324.377 -0.003 20 0 DBADRM C[C@@](O)(CNC(=O)[C@H]1CCCN1Cc1ccccn1)C(=O)[O-] ZINC001603256030 1018149307 /nfs/dbraw/zinc/14/93/07/1018149307.db2.gz CGRCEHGYWDVIRK-IUODEOHRSA-N -1 0 307.350 -0.002 20 0 DBADRM CC(C)(C(=O)NCCn1cc(C(=O)[O-])nn1)n1ccc(N)n1 ZINC001603238453 1018150345 /nfs/dbraw/zinc/15/03/45/1018150345.db2.gz ZNICGQBTFVIYGH-UHFFFAOYSA-N -1 0 307.314 -0.694 20 0 DBADRM C[C@](NCc1cn(CC(N)=O)nn1)(C(=O)[O-])c1ccccc1 ZINC001603251047 1018150926 /nfs/dbraw/zinc/15/09/26/1018150926.db2.gz ZDMIAVLOSWQNFR-CQSZACIVSA-N -1 0 303.322 -0.147 20 0 DBADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CNOC2)C1 ZINC001603249863 1018151132 /nfs/dbraw/zinc/15/11/32/1018151132.db2.gz HRXLAYKFWNOWFT-NXEZZACHSA-N -1 0 313.354 -0.645 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)CN1C(=O)N[C@@](C)(c2cnccn2)C1=O ZINC001603240041 1018151944 /nfs/dbraw/zinc/15/19/44/1018151944.db2.gz RGIDYXARDGOIGV-AWEZNQCLSA-N -1 0 320.305 -0.077 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)c(F)c1F)C(=O)[O-] ZINC001603256222 1018152865 /nfs/dbraw/zinc/15/28/65/1018152865.db2.gz KNAFNNYRILSWQV-LBPRGKRZSA-N -1 0 320.223 -0.006 20 0 DBADRM C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001603265498 1018155952 /nfs/dbraw/zinc/15/59/52/1018155952.db2.gz LEVBKPWETREKJH-ZJUUUORDSA-N -1 0 324.337 -0.474 20 0 DBADRM C[C@H](O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001603266235 1018156116 /nfs/dbraw/zinc/15/61/16/1018156116.db2.gz RIKVATQNQNWVCT-SRVKXCTJSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)CCOCC1CCCC1)C(=O)[O-] ZINC001603263405 1018156285 /nfs/dbraw/zinc/15/62/85/1018156285.db2.gz JMZPSHRFEMWSQA-GFCCVEGCSA-N -1 0 309.384 -0.052 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)C2(CC(=O)[O-])CCOCC2)CCO1 ZINC001603264720 1018156494 /nfs/dbraw/zinc/15/64/94/1018156494.db2.gz BOKIRDOJFGVWRL-QWRGUYRKSA-N -1 0 301.339 -0.134 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1ccnn1C[C@H]1CCOC1)C(=O)[O-] ZINC001603256755 1018156982 /nfs/dbraw/zinc/15/69/82/1018156982.db2.gz GGPRTMQBXQUTDE-NOZJJQNGSA-N -1 0 312.326 -0.123 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)c2cc(C(=O)[O-])nn2C)[C@H](C)C1 ZINC001603268933 1018159140 /nfs/dbraw/zinc/15/91/40/1018159140.db2.gz QHKGZKWENWFJPU-ZJUUUORDSA-N -1 0 310.354 -0.355 20 0 DBADRM CC(C)(C(N)=O)C(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001603294161 1018159898 /nfs/dbraw/zinc/15/98/98/1018159898.db2.gz XSVWWCSXNKKPRP-VIFPVBQESA-N -1 0 321.337 -0.619 20 0 DBADRM CC(C)CN(C)c1nnc(Cn2cnc(-c3nnn[n-]3)n2)n1C ZINC001603288138 1018160001 /nfs/dbraw/zinc/16/00/01/1018160001.db2.gz DLQZZLDFVPXYSX-UHFFFAOYSA-N -1 0 317.361 -0.273 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C2=NN(CCO)C(=O)CC2)CC1 ZINC001603297464 1018161870 /nfs/dbraw/zinc/16/18/70/1018161870.db2.gz XMIKGOAKGQCABQ-UHFFFAOYSA-N -1 0 311.338 -0.330 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)NCCOCC(=O)[O-])nn1 ZINC001603296783 1018162292 /nfs/dbraw/zinc/16/22/92/1018162292.db2.gz YCCFEEANQKJFSM-UHFFFAOYSA-N -1 0 312.326 -0.276 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(c2nnnn2CCN2CCOCC2)C1 ZINC001603309770 1018163251 /nfs/dbraw/zinc/16/32/51/1018163251.db2.gz GLWKOELHMKIORR-ZDUSSCGKSA-N -1 0 310.358 -0.694 20 0 DBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001603311180 1018163467 /nfs/dbraw/zinc/16/34/67/1018163467.db2.gz WKEAXONCENIINR-WPRPVWTQSA-N -1 0 301.343 -0.229 20 0 DBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001603310987 1018163874 /nfs/dbraw/zinc/16/38/74/1018163874.db2.gz VOXZTOZMRPOPQR-HLTSFMKQSA-N -1 0 301.343 -0.325 20 0 DBADRM CC(C)(C)C(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001603295831 1018163894 /nfs/dbraw/zinc/16/38/94/1018163894.db2.gz REUABFMAFNPVJR-APLZJWDSSA-N -1 0 322.361 -0.105 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC001603322273 1018165213 /nfs/dbraw/zinc/16/52/13/1018165213.db2.gz JUDOZTPKRZBZRU-CYBMUJFWSA-N -1 0 307.310 -0.739 20 0 DBADRM CC1(C)OCC(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)CO1 ZINC001603336209 1018165285 /nfs/dbraw/zinc/16/52/85/1018165285.db2.gz FALIZZPEULMSPX-UHFFFAOYSA-N -1 0 314.338 -0.375 20 0 DBADRM CC(C)(C)[C@@H](O)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001603313587 1018165331 /nfs/dbraw/zinc/16/53/31/1018165331.db2.gz RIQIEVJCSJXWRO-WPRPVWTQSA-N -1 0 307.368 -0.506 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC(S(N)(=O)=O)CC1 ZINC001603323093 1018165390 /nfs/dbraw/zinc/16/53/90/1018165390.db2.gz VJPNOPSTEYFYFM-GFCCVEGCSA-N -1 0 304.368 -0.233 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001603320935 1018166457 /nfs/dbraw/zinc/16/64/57/1018166457.db2.gz NHSLDHRKHZAIOA-VIFPVBQESA-N -1 0 311.342 -0.600 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001603321605 1018166577 /nfs/dbraw/zinc/16/65/77/1018166577.db2.gz VDKJXLXQKPVLLJ-AWEZNQCLSA-N -1 0 307.306 -0.227 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCCc1nnc2c(=O)[nH]ccn12 ZINC001603321089 1018166609 /nfs/dbraw/zinc/16/66/09/1018166609.db2.gz PIVJFDRERBWOOU-CQSZACIVSA-N -1 0 319.321 -0.423 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1nnc2n1CCNC2=O ZINC001603321742 1018167380 /nfs/dbraw/zinc/16/73/80/1018167380.db2.gz WMVPXKVMBNMOCN-CYBMUJFWSA-N -1 0 307.310 -0.861 20 0 DBADRM CC(C)(C)NC(=O)CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603349989 1018169941 /nfs/dbraw/zinc/16/99/41/1018169941.db2.gz HZMRVTNEAMDVHW-UHFFFAOYSA-N -1 0 306.384 -0.477 20 0 DBADRM C[C@@]1(NC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CCOC1 ZINC001603346033 1018170041 /nfs/dbraw/zinc/17/00/41/1018170041.db2.gz CLWFHCGRGPCDNQ-IINYFYTJSA-N -1 0 313.354 -0.070 20 0 DBADRM C[C@]1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCC(=O)N1 ZINC001603341788 1018170993 /nfs/dbraw/zinc/17/09/93/1018170993.db2.gz OZKLXXVECJQCCP-GFCCVEGCSA-N -1 0 319.383 -0.714 20 0 DBADRM CC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC001603345135 1018171389 /nfs/dbraw/zinc/17/13/89/1018171389.db2.gz CKIDNZPQHYXSSG-NSHDSACASA-N -1 0 311.382 -0.138 20 0 DBADRM C[C@@]12CN(C(=O)c3ccc(C(=O)[O-])cn3)C[C@@]1(C)C(=O)NC2=O ZINC001603347665 1018171578 /nfs/dbraw/zinc/17/15/78/1018171578.db2.gz CRTIQDBPFVQGNT-GJZGRUSLSA-N -1 0 317.301 -0.095 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)O1 ZINC001603336887 1018171843 /nfs/dbraw/zinc/17/18/43/1018171843.db2.gz WGXORIANSNMFJW-UTLUCORTSA-N -1 0 314.338 -0.376 20 0 DBADRM C[C@]1(c2cccc(C(=O)OCC(=O)C(=O)[O-])c2)NC(=O)NC1=O ZINC001603347444 1018172069 /nfs/dbraw/zinc/17/20/69/1018172069.db2.gz HIYILWLEFLHPSZ-CQSZACIVSA-N -1 0 320.257 -0.448 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001603360649 1018174276 /nfs/dbraw/zinc/17/42/76/1018174276.db2.gz VTJCLCPHGPECJQ-NXEZZACHSA-N -1 0 311.338 -0.112 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001603360650 1018174386 /nfs/dbraw/zinc/17/43/86/1018174386.db2.gz VTJCLCPHGPECJQ-UWVGGRQHSA-N -1 0 311.338 -0.112 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)N[C@](C)(CO)C(=O)[O-])C1 ZINC001603358125 1018175025 /nfs/dbraw/zinc/17/50/25/1018175025.db2.gz FDYIKQSIAFCXNY-AMIZOPFISA-N -1 0 316.310 -0.575 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001603356129 1018175331 /nfs/dbraw/zinc/17/53/31/1018175331.db2.gz WLZCDDKYOVKHDB-HTQZYQBOSA-N -1 0 316.339 -0.990 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001603373586 1018176247 /nfs/dbraw/zinc/17/62/47/1018176247.db2.gz DMRZYLYQVHOFOU-BDAKNGLRSA-N -1 0 303.311 -0.609 20 0 DBADRM C[C@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001603376089 1018178123 /nfs/dbraw/zinc/17/81/23/1018178123.db2.gz ZHLYNTSQJJZIMA-WDEREUQCSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C(=O)[O-] ZINC001603417575 1018180723 /nfs/dbraw/zinc/18/07/23/1018180723.db2.gz UIDZIXMUPWAJKI-VHSXEESVSA-N -1 0 304.368 -0.409 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(C(=O)CC(=O)[O-])[C@@H](CO)C1 ZINC001603417786 1018180819 /nfs/dbraw/zinc/18/08/19/1018180819.db2.gz JTHMCEYMJMNKMJ-SECBINFHSA-N -1 0 302.327 -0.099 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)c2cn(CC(=O)[O-])nn2)CS1(=O)=O ZINC001603398180 1018181565 /nfs/dbraw/zinc/18/15/65/1018181565.db2.gz UZUFCLGNKJADOA-HTQZYQBOSA-N -1 0 316.339 -0.942 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)[C@H]1CO ZINC001603416473 1018181921 /nfs/dbraw/zinc/18/19/21/1018181921.db2.gz RQCMYZDVLAHRJK-KCJUWKMLSA-N -1 0 307.306 -0.052 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)[C@@H]1CO ZINC001603415574 1018182371 /nfs/dbraw/zinc/18/23/71/1018182371.db2.gz FYIBGWFFFFMVIO-DTWKUNHWSA-N -1 0 310.310 -0.865 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)[C@H]1CO ZINC001603415570 1018182649 /nfs/dbraw/zinc/18/26/49/1018182649.db2.gz FYIBGWFFFFMVIO-BDAKNGLRSA-N -1 0 310.310 -0.865 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001603422980 1018182802 /nfs/dbraw/zinc/18/28/02/1018182802.db2.gz HECYJBHIHXNLRO-DTWKUNHWSA-N -1 0 302.327 -0.052 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)C[C@@H]1C(=O)[O-] ZINC001603426164 1018184391 /nfs/dbraw/zinc/18/43/91/1018184391.db2.gz BAQQOQQLSSYCTM-USWWRNFRSA-N -1 0 311.338 -0.581 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCC(=O)[O-])C[C@@]2(CCCOC2)O1 ZINC001603440637 1018184532 /nfs/dbraw/zinc/18/45/32/1018184532.db2.gz YYDDHMZYCPXNRS-IINYFYTJSA-N -1 0 314.338 -0.626 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CCC(=O)[O-])C[C@]2(CCOC2)O1 ZINC001603440457 1018184846 /nfs/dbraw/zinc/18/48/46/1018184846.db2.gz WYODFNPCDQNAAH-HZMBPMFUSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[C@H]1C(=O)[O-] ZINC001603443630 1018184873 /nfs/dbraw/zinc/18/48/73/1018184873.db2.gz WZPFKFWXYYRUFD-NXEZZACHSA-N -1 0 309.322 -0.504 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)c2cnc(C(=O)[O-])cn2)C[C@H](C)O1 ZINC001603443571 1018184973 /nfs/dbraw/zinc/18/49/73/1018184973.db2.gz VTGYYYWPTANXDN-DTORHVGOSA-N -1 0 323.305 -0.033 20 0 DBADRM C[C@@H]1CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CC[C@H]1O ZINC001603439067 1018185562 /nfs/dbraw/zinc/18/55/62/1018185562.db2.gz HXNLJHVJSLVHDL-NXEZZACHSA-N -1 0 319.379 -0.505 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C[C@@H](CO)O1 ZINC001603440276 1018185888 /nfs/dbraw/zinc/18/58/88/1018185888.db2.gz VVRYICDGCYOQIA-KWQFWETISA-N -1 0 323.305 -0.674 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCc2nnnn2C)CC[C@@H]1C(=O)[O-] ZINC001603449931 1018188543 /nfs/dbraw/zinc/18/85/43/1018188543.db2.gz CEEOZHZNMMHJNM-ZJUUUORDSA-N -1 0 310.358 -0.105 20 0 DBADRM CC(C)(C)OC(=O)NCCOCC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001603462548 1018190469 /nfs/dbraw/zinc/19/04/69/1018190469.db2.gz XXDKGTMTTOJHMO-UHFFFAOYSA-N -1 0 318.326 -0.814 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC[S@@](=O)C1 ZINC001603464869 1018192172 /nfs/dbraw/zinc/19/21/72/1018192172.db2.gz ZJDIZPQFADBUAS-ZPEMSAPTSA-N -1 0 324.424 -0.519 20 0 DBADRM C[C@@H]1CN(Cn2nnc3c(cnn3C)c2=O)CC[C@@H]1C(=O)[O-] ZINC001603463958 1018192629 /nfs/dbraw/zinc/19/26/29/1018192629.db2.gz MWFZUDXWYDIAQV-BDAKNGLRSA-N -1 0 306.326 -0.475 20 0 DBADRM C[C@H](C[C@@H]1CCOC1)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001603467105 1018193528 /nfs/dbraw/zinc/19/35/28/1018193528.db2.gz TXAGEQTUWZPFIZ-BBBLOLIVSA-N -1 0 320.357 -0.050 20 0 DBADRM CC[C@H](CCO)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603548396 1018200220 /nfs/dbraw/zinc/20/02/20/1018200220.db2.gz CJWLXKYHYIOSFO-MNOVXSKESA-N -1 0 315.370 -0.088 20 0 DBADRM C[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)N(C)C(=O)C(N)=O ZINC001603552557 1018200993 /nfs/dbraw/zinc/20/09/93/1018200993.db2.gz DHTRZQGPIXKDAH-ZETCQYMHSA-N -1 0 304.314 -0.994 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)O)C1)C(=O)[O-] ZINC001603549271 1018201145 /nfs/dbraw/zinc/20/11/45/1018201145.db2.gz ONADFGWWYHISFO-MXWKQRLJSA-N -1 0 300.355 -0.167 20 0 DBADRM CC[C@H](CCO)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603548395 1018201887 /nfs/dbraw/zinc/20/18/87/1018201887.db2.gz CJWLXKYHYIOSFO-GHMZBOCLSA-N -1 0 315.370 -0.088 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCC[C@](O)(C2CC2)C1)C(=O)[O-] ZINC001603548914 1018203282 /nfs/dbraw/zinc/20/32/82/1018203282.db2.gz MIENTWSFOHMCCA-MEBBXXQBSA-N -1 0 312.366 -0.023 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(=O)OC ZINC001603550438 1018203440 /nfs/dbraw/zinc/20/34/40/1018203440.db2.gz KYICPHLLSINSPI-UWVGGRQHSA-N -1 0 314.338 -0.375 20 0 DBADRM CC[C@H](CNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001603560951 1018207801 /nfs/dbraw/zinc/20/78/01/1018207801.db2.gz HVBYKAKGLPJCBC-VHSXEESVSA-N -1 0 321.399 -0.322 20 0 DBADRM CC[C@H](CNC(=O)CCC(=O)N1CCC(O)CC1)C(=O)[O-] ZINC001603553020 1018208126 /nfs/dbraw/zinc/20/81/26/1018208126.db2.gz XVQRVTLYSSDPFI-SNVBAGLBSA-N -1 0 300.355 -0.023 20 0 DBADRM CC[C@]1(C(=O)N(CCC(=O)OC)CC(=O)[O-])CCNC1=O ZINC001603592926 1018209739 /nfs/dbraw/zinc/20/97/39/1018209739.db2.gz YGVIKWKKMRVKIA-ZDUSSCGKSA-N -1 0 300.311 -0.621 20 0 DBADRM CC[C@H](OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)C(=O)[O-] ZINC001603586309 1018210911 /nfs/dbraw/zinc/21/09/11/1018210911.db2.gz MNJUWWMPAMPSRH-ZETCQYMHSA-N -1 0 315.307 -0.638 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001603582323 1018211279 /nfs/dbraw/zinc/21/12/79/1018211279.db2.gz ISCNIPQHNPQKBH-GXFFZTMASA-N -1 0 302.327 -0.770 20 0 DBADRM CC[C@]1(C)CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC001603608656 1018211429 /nfs/dbraw/zinc/21/14/29/1018211429.db2.gz CGNKVBNSVBXALS-QMTHXVAHSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H](NC(=O)C1CC1)[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001603611549 1018211679 /nfs/dbraw/zinc/21/16/79/1018211679.db2.gz TUYQYUSEVVBWTI-HTQZYQBOSA-N -1 0 302.342 -0.206 20 0 DBADRM CC[C@H](O)[C@@H](C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603586497 1018212430 /nfs/dbraw/zinc/21/24/30/1018212430.db2.gz OUTOCJWTFVKXMK-MXWKQRLJSA-N -1 0 300.355 -0.025 20 0 DBADRM CC[C@@H]1CN(C(=O)c2cn(CC(=O)[O-])nn2)C[C@@]2(CCOC2)O1 ZINC001603624242 1018213378 /nfs/dbraw/zinc/21/33/78/1018213378.db2.gz CLEXQTHFKGBOJL-QMTHXVAHSA-N -1 0 324.337 -0.227 20 0 DBADRM CC(C)(CN1CCOCC1)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001603619062 1018213990 /nfs/dbraw/zinc/21/39/90/1018213990.db2.gz WDFPMUZGFAWNBB-UHFFFAOYSA-N -1 0 310.354 -0.192 20 0 DBADRM CC(C)(CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)OCCO ZINC001603625053 1018214614 /nfs/dbraw/zinc/21/46/14/1018214614.db2.gz HYYUMIPQKNVIPD-JTQLQIEISA-N -1 0 316.354 -0.787 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001603627531 1018214988 /nfs/dbraw/zinc/21/49/88/1018214988.db2.gz DHAFPCTVRZCSCK-NXEZZACHSA-N -1 0 323.367 -0.167 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001603628204 1018215064 /nfs/dbraw/zinc/21/50/64/1018215064.db2.gz XLKAMKKPUNWTRZ-SKDRFNHKSA-N -1 0 323.367 -0.119 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCOC[C@@]12CCOC2)C(=O)[O-] ZINC001603654550 1018217300 /nfs/dbraw/zinc/21/73/00/1018217300.db2.gz XUSBWQXOSPLVCR-LBPRGKRZSA-N -1 0 307.368 -0.082 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCOC[C@]12CCOC2)C(=O)[O-] ZINC001603654549 1018217526 /nfs/dbraw/zinc/21/75/26/1018217526.db2.gz XUSBWQXOSPLVCR-GFCCVEGCSA-N -1 0 307.368 -0.082 20 0 DBADRM CC(C)(NC[C@H](O)CN1CCOCC1)c1cc(C(=O)[O-])on1 ZINC001603680816 1018218755 /nfs/dbraw/zinc/21/87/55/1018218755.db2.gz LGEVZPZJOXXPKO-JTQLQIEISA-N -1 0 313.354 -0.109 20 0 DBADRM CC(C)(NC(=O)CN1CCC(=O)NC1=O)c1cc(C(=O)[O-])on1 ZINC001603673239 1018218788 /nfs/dbraw/zinc/21/87/88/1018218788.db2.gz LRBWXHVTMKLURI-UHFFFAOYSA-N -1 0 324.293 -0.334 20 0 DBADRM CCCNC(=O)CN1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001603674669 1018219062 /nfs/dbraw/zinc/21/90/62/1018219062.db2.gz QUDRKPZIXKLZKK-LLVKDONJSA-N -1 0 311.382 -0.090 20 0 DBADRM CC(C)(F)C(=O)N(CCO)CCNc1ccnc(C(=O)[O-])n1 ZINC001603665680 1018219470 /nfs/dbraw/zinc/21/94/70/1018219470.db2.gz BMIBOYLNNIHRBB-UHFFFAOYSA-N -1 0 314.317 -0.422 20 0 DBADRM CC(C)(CS(=O)(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC001603660542 1018219506 /nfs/dbraw/zinc/21/95/06/1018219506.db2.gz VOTPJCFKQPTIDN-YUMQZZPRSA-N -1 0 308.356 -0.951 20 0 DBADRM CC(C)(CS(=O)(=O)NC[C@@H]1CN2CCN1CC2)C(=O)[O-] ZINC001603660424 1018219889 /nfs/dbraw/zinc/21/98/89/1018219889.db2.gz SXKZLCIMCDYBBT-SNVBAGLBSA-N -1 0 305.400 -0.984 20 0 DBADRM CC(C)(NC[C@@H](O)CN1CCOCC1)c1cc(C(=O)[O-])on1 ZINC001603680817 1018220037 /nfs/dbraw/zinc/22/00/37/1018220037.db2.gz LGEVZPZJOXXPKO-SNVBAGLBSA-N -1 0 313.354 -0.109 20 0 DBADRM CCCN(CC(=O)NCC(=O)[O-])S(=O)(=O)C(F)(F)F ZINC001603660702 1018220695 /nfs/dbraw/zinc/22/06/95/1018220695.db2.gz VZCDTZSBCKPOAG-UHFFFAOYSA-N -1 0 306.262 -0.251 20 0 DBADRM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC001603678886 1018220713 /nfs/dbraw/zinc/22/07/13/1018220713.db2.gz OGEFKPVEGXOOML-YUMQZZPRSA-N -1 0 321.341 -0.107 20 0 DBADRM CC(C)(O)CCC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001603689646 1018222149 /nfs/dbraw/zinc/22/21/49/1018222149.db2.gz QZEAMDHHHLKTIQ-UHFFFAOYSA-N -1 0 302.371 -0.217 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-] ZINC001603692116 1018223577 /nfs/dbraw/zinc/22/35/77/1018223577.db2.gz KYMKNFZEELZZGD-SFYZADRCSA-N -1 0 303.315 -0.654 20 0 DBADRM C[C@H](O)CC(C)(C)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001603697241 1018225659 /nfs/dbraw/zinc/22/56/59/1018225659.db2.gz YCPXMNMJLMCANW-QMMMGPOBSA-N -1 0 308.346 -0.629 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001603777402 1018238035 /nfs/dbraw/zinc/23/80/35/1018238035.db2.gz YMNVTHGASVYQNN-RKDXNWHRSA-N -1 0 323.367 -0.422 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCN(C)C[C@@H]1CO)C(=O)[O-] ZINC001603777105 1018240342 /nfs/dbraw/zinc/24/03/42/1018240342.db2.gz ZVAYEUZYROSYBM-NEPJUHHUSA-N -1 0 301.387 -0.790 20 0 DBADRM CCN(C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)[C@H]1CC(=O)NC1=O ZINC001603706120 1018231175 /nfs/dbraw/zinc/23/11/75/1018231175.db2.gz TYBOZAZVIKJDOO-GUBZILKMSA-N -1 0 312.322 -0.480 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001603723283 1018232144 /nfs/dbraw/zinc/23/21/44/1018232144.db2.gz RWTLINYXYOLSAA-UHFFFAOYSA-N -1 0 322.321 -0.297 20 0 DBADRM C[C@@]1(C(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)CCNC1=O ZINC001603748885 1018232223 /nfs/dbraw/zinc/23/22/23/1018232223.db2.gz ZAVUINZJALAFQC-CYBMUJFWSA-N -1 0 302.294 -0.197 20 0 DBADRM CCN(CC(=O)N(C)C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603723588 1018232374 /nfs/dbraw/zinc/23/23/74/1018232374.db2.gz APTVODODBDVUEP-SNVBAGLBSA-N -1 0 313.354 -0.754 20 0 DBADRM CCN(CC(C)(C)O)C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001603723921 1018232535 /nfs/dbraw/zinc/23/25/35/1018232535.db2.gz FVMGDUBKXZVHBN-UHFFFAOYSA-N -1 0 300.355 -0.071 20 0 DBADRM CCN(C[C@H]1CCOC1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001603736425 1018233359 /nfs/dbraw/zinc/23/33/59/1018233359.db2.gz FRUROAKXQOMCPC-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM CCN(C[C@@H]1CCOC1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001603736426 1018233898 /nfs/dbraw/zinc/23/38/98/1018233898.db2.gz FRUROAKXQOMCPC-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM CC(C)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001603753408 1018234661 /nfs/dbraw/zinc/23/46/61/1018234661.db2.gz VJPKTKTXZBFYPJ-NAKRPEOUSA-N -1 0 323.349 -0.116 20 0 DBADRM CC1(C)[C@H](O)C[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603755825 1018235660 /nfs/dbraw/zinc/23/56/60/1018235660.db2.gz BXYKEJJTVRGFHD-HTQZYQBOSA-N -1 0 313.339 -0.103 20 0 DBADRM CCN1CCC[C@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1=O ZINC001603760272 1018236219 /nfs/dbraw/zinc/23/62/19/1018236219.db2.gz JJLJWVULYMDPMR-UWVGGRQHSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CC(C)(C(=O)[O-])C1 ZINC001603760935 1018236636 /nfs/dbraw/zinc/23/66/36/1018236636.db2.gz BGNAOAHDIIMZOP-SECBINFHSA-N -1 0 313.354 -0.674 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001603767938 1018237911 /nfs/dbraw/zinc/23/79/11/1018237911.db2.gz IGMGKLXVCOXLIV-QWHCGFSZSA-N -1 0 307.350 -0.086 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001603768767 1018238048 /nfs/dbraw/zinc/23/80/48/1018238048.db2.gz YZRYCMLELXSWTI-VIFPVBQESA-N -1 0 315.370 -0.556 20 0 DBADRM CC(C)C[C@@H](CO)N(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001603775910 1018238502 /nfs/dbraw/zinc/23/85/02/1018238502.db2.gz KSYFHARXVMLPEC-QWRGUYRKSA-N -1 0 316.354 -0.836 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCC(O)(CO)CC1)C(=O)[O-] ZINC001603775074 1018239122 /nfs/dbraw/zinc/23/91/22/1018239122.db2.gz CZNBRFDCKBTOCB-NSHDSACASA-N -1 0 302.371 -0.579 20 0 DBADRM CCOC(=O)C[C@H](CO)NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001603793087 1018241382 /nfs/dbraw/zinc/24/13/82/1018241382.db2.gz AWENOCBVSGRFTF-HBNTYKKESA-N -1 0 317.338 -0.313 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC12COC2 ZINC001603791893 1018241734 /nfs/dbraw/zinc/24/17/34/1018241734.db2.gz CBGFZSRHYGRLSH-MRVPVSSYSA-N -1 0 323.305 -0.240 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)[C@@](C)(OC)C(=O)[O-])CC12COC2 ZINC001603792052 1018241914 /nfs/dbraw/zinc/24/19/14/1018241914.db2.gz GSKKNJAEVKPHHD-TVQRCGJNSA-N -1 0 315.322 -0.486 20 0 DBADRM CCOC(=O)N1CCN(C(=O)COC(=O)CCC(=O)[O-])CC1 ZINC001603803722 1018242096 /nfs/dbraw/zinc/24/20/96/1018242096.db2.gz XACBAIZPRVFEFE-UHFFFAOYSA-N -1 0 316.310 -0.305 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC12COC2 ZINC001603791894 1018242280 /nfs/dbraw/zinc/24/22/80/1018242280.db2.gz CBGFZSRHYGRLSH-QMMMGPOBSA-N -1 0 323.305 -0.240 20 0 DBADRM CCOC(=O)CC(=O)CS[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001603793632 1018242640 /nfs/dbraw/zinc/24/26/40/1018242640.db2.gz LRRRIKHFPDOSHW-SECBINFHSA-N -1 0 303.336 -0.073 20 0 DBADRM CC(C)CN(C(=O)CN1CC(=O)N(C)C[C@@H]1C(=O)[O-])C1CC1 ZINC001603800170 1018242761 /nfs/dbraw/zinc/24/27/61/1018242761.db2.gz WTPRLVQDBCKSJM-GFCCVEGCSA-N -1 0 311.382 -0.139 20 0 DBADRM CC1(CC(=O)NCCNc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001603797253 1018242997 /nfs/dbraw/zinc/24/29/97/1018242997.db2.gz OJUBTGOZCYEBES-UHFFFAOYSA-N -1 0 302.342 -0.203 20 0 DBADRM CC(C)NS(=O)(=O)N1CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC001603905553 1018260268 /nfs/dbraw/zinc/26/02/68/1018260268.db2.gz WVCUWXZXZJTMRW-JTQLQIEISA-N -1 0 321.399 -0.516 20 0 DBADRM CCOC(=O)C[C@H](CO)NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001603793088 1018243885 /nfs/dbraw/zinc/24/38/85/1018243885.db2.gz AWENOCBVSGRFTF-MXWKQRLJSA-N -1 0 317.338 -0.313 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001603806737 1018246559 /nfs/dbraw/zinc/24/65/59/1018246559.db2.gz WVZDRMUMAUIMMF-VHSXEESVSA-N -1 0 312.322 -0.669 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@H]1CCOC(=O)N1)C(=O)[O-] ZINC001603840092 1018248947 /nfs/dbraw/zinc/24/89/47/1018248947.db2.gz CHEULMWGOFBCJS-BDAKNGLRSA-N -1 0 315.326 -0.783 20 0 DBADRM CC1=NO[C@@H](CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001603828373 1018249271 /nfs/dbraw/zinc/24/92/71/1018249271.db2.gz VBRIOKOGJAIEGO-ZCFIWIBFSA-N -1 0 306.286 -0.757 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2cccc(-c3nn[nH]n3)n2)C(=O)N1C ZINC001603831124 1018249552 /nfs/dbraw/zinc/24/95/52/1018249552.db2.gz VBBJAZZATCDZOC-LURJTMIESA-N -1 0 316.281 -0.811 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)CC(F)(F)CN)C(=O)[O-] ZINC001603840386 1018250312 /nfs/dbraw/zinc/25/03/12/1018250312.db2.gz OMNJWRWTZJPRSL-QMMMGPOBSA-N -1 0 309.313 -0.298 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCOC(=O)N1)C(=O)[O-] ZINC001603840093 1018250717 /nfs/dbraw/zinc/25/07/17/1018250717.db2.gz CHEULMWGOFBCJS-IUCAKERBSA-N -1 0 315.326 -0.783 20 0 DBADRM C[C@@H]1[C@H](Nc2ccnc(-c3nnn[n-]3)n2)CCN1C(=O)C1CC1 ZINC001603836142 1018251517 /nfs/dbraw/zinc/25/15/17/1018251517.db2.gz IDDMPHLPSALTKF-PSASIEDQSA-N -1 0 314.353 -0.110 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@H]1CCC(=O)NC1)C(=O)[O-] ZINC001603840287 1018251750 /nfs/dbraw/zinc/25/17/50/1018251750.db2.gz KQIXFHVYCGNLGV-UWVGGRQHSA-N -1 0 313.354 -0.756 20 0 DBADRM CCO[C@H](C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O)[C@H]1CCOC1 ZINC001603824796 1018251868 /nfs/dbraw/zinc/25/18/68/1018251868.db2.gz ZKWRDQOVLUNYEQ-UMNHJUIQSA-N -1 0 315.322 -0.343 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c2nccn21 ZINC001603853541 1018253365 /nfs/dbraw/zinc/25/33/65/1018253365.db2.gz QVWSWXOJHDZFQZ-JGVFFNPUSA-N -1 0 314.313 -0.523 20 0 DBADRM CCON(C)C(=O)CNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001603842435 1018253741 /nfs/dbraw/zinc/25/37/41/1018253741.db2.gz AGDUCPAGYYTKQI-ZJUUUORDSA-N -1 0 302.327 -0.218 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001603842487 1018253853 /nfs/dbraw/zinc/25/38/53/1018253853.db2.gz UVWUQDKBXMKKQH-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM C/C=C(\C)C(=O)NC[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001500160088 1018256022 /nfs/dbraw/zinc/25/60/22/1018256022.db2.gz TUAWVGLZSIVPTC-DHFUWRPHSA-N -1 0 311.342 -0.476 20 0 DBADRM CCS(=O)(=O)NCCCN1CCO[C@](COC)(C(=O)[O-])C1 ZINC001603894519 1018258319 /nfs/dbraw/zinc/25/83/19/1018258319.db2.gz RCSBAFYYJWJHJT-GFCCVEGCSA-N -1 0 324.399 -0.882 20 0 DBADRM C[C@@H]1C[C@@H]1c1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n[nH]1 ZINC001603871531 1018258790 /nfs/dbraw/zinc/25/87/90/1018258790.db2.gz OKUYBQOIGFZROC-RQJHMYQMSA-N -1 0 314.313 -0.057 20 0 DBADRM CC(C)NC(=O)CNC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001603898677 1018259317 /nfs/dbraw/zinc/25/93/17/1018259317.db2.gz OIJCTPHXLIEXMP-SECBINFHSA-N -1 0 303.384 -0.030 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001603894825 1018259586 /nfs/dbraw/zinc/25/95/86/1018259586.db2.gz VFBLVFKKMRGLGH-CABZTGNLSA-N -1 0 322.383 -0.736 20 0 DBADRM CC(C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001603896897 1018259936 /nfs/dbraw/zinc/25/99/36/1018259936.db2.gz NABKQVKXHSKZEU-QMMMGPOBSA-N -1 0 322.321 -0.252 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001603895905 1018260441 /nfs/dbraw/zinc/26/04/41/1018260441.db2.gz YMNVAMWLKKDRFO-ULQSSITMSA-N -1 0 318.395 -0.560 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001603899094 1018260743 /nfs/dbraw/zinc/26/07/43/1018260743.db2.gz WEOZUUKVHHTCDR-UHFFFAOYSA-N -1 0 322.365 -0.148 20 0 DBADRM CC(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001603896901 1018261089 /nfs/dbraw/zinc/26/10/89/1018261089.db2.gz NLAPXDRVYTXCCV-MRVPVSSYSA-N -1 0 315.351 -0.029 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001603895901 1018261376 /nfs/dbraw/zinc/26/13/76/1018261376.db2.gz YMNVAMWLKKDRFO-FRGLDACASA-N -1 0 318.395 -0.560 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1OCCN(C)C1=O ZINC001603916950 1018262188 /nfs/dbraw/zinc/26/21/88/1018262188.db2.gz QIVJKYPDFQAPNM-VHSXEESVSA-N -1 0 302.327 -0.820 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CCn1ncn(C)c1=O ZINC001603916495 1018262470 /nfs/dbraw/zinc/26/24/70/1018262470.db2.gz CLCVQFBLPYAXMJ-SNVBAGLBSA-N -1 0 314.342 -0.692 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)C1CN(S(C)(=O)=O)C1 ZINC001603916819 1018262614 /nfs/dbraw/zinc/26/26/14/1018262614.db2.gz OKZJQVWICHDHBW-JTQLQIEISA-N -1 0 322.383 -0.786 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001603934978 1018263809 /nfs/dbraw/zinc/26/38/09/1018263809.db2.gz KUBXFQYNLCEZTO-XRNSZHNASA-N -1 0 314.338 -0.234 20 0 DBADRM C[C@@H]1CSC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001603946281 1018265038 /nfs/dbraw/zinc/26/50/38/1018265038.db2.gz ALOQXEWBWUXBJV-PHDIDXHHSA-N -1 0 309.355 -0.171 20 0 DBADRM CCn1c(N)c(C(=O)CN(CC(=O)[O-])CC2CC2)c(=O)[nH]c1=O ZINC001604007514 1018277956 /nfs/dbraw/zinc/27/79/56/1018277956.db2.gz FCQDUXGHHUESHN-UHFFFAOYSA-N -1 0 324.337 -0.470 20 0 DBADRM CC[C@H](C)Cn1c(=O)c(-c2nnn[n-]2)c(C)n(CCO)c1=O ZINC001604003545 1018278711 /nfs/dbraw/zinc/27/87/11/1018278711.db2.gz DYRZBBYVLPFRGA-QMMMGPOBSA-N -1 0 308.342 -0.463 20 0 DBADRM CCn1cnnc1CNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001604018696 1018279178 /nfs/dbraw/zinc/27/91/78/1018279178.db2.gz YLRWBSQMSZFZBW-UHFFFAOYSA-N -1 0 305.294 -0.526 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])n1 ZINC001604025013 1018279253 /nfs/dbraw/zinc/27/92/53/1018279253.db2.gz ZIDYNROZWKVMEX-UHFFFAOYSA-N -1 0 318.293 -0.354 20 0 DBADRM CCn1nccc1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001604023835 1018279272 /nfs/dbraw/zinc/27/92/72/1018279272.db2.gz FDKGADIRVNJSIV-UHFFFAOYSA-N -1 0 306.282 -0.239 20 0 DBADRM CCc1nncn1CCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001603992685 1018279333 /nfs/dbraw/zinc/27/93/33/1018279333.db2.gz CAXBJOUFMBYFQV-AWEZNQCLSA-N -1 0 323.353 -0.720 20 0 DBADRM CN(C(=O)C(=O)NCc1cccc(C(=O)[O-])c1)[C@H]1CCNC1=O ZINC001604024535 1018279997 /nfs/dbraw/zinc/27/99/97/1018279997.db2.gz RFZJKZQTQIDVTQ-NSHDSACASA-N -1 0 319.317 -0.652 20 0 DBADRM CCn1nnnc1N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001604023802 1018280063 /nfs/dbraw/zinc/28/00/63/1018280063.db2.gz DSVOLXOPEVKDFN-JVVWGOMOSA-N -1 0 309.326 -0.217 20 0 DBADRM CC(C)c1nnc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)[nH]1 ZINC001604020861 1018280192 /nfs/dbraw/zinc/28/01/92/1018280192.db2.gz BECPJWKSYLPHKX-SECBINFHSA-N -1 0 323.353 -0.133 20 0 DBADRM CN(C(=O)[C@H](C(=O)[O-])C1CCCC1)N1CCS(=O)(=O)CC1 ZINC001604024168 1018280340 /nfs/dbraw/zinc/28/03/40/1018280340.db2.gz FRNFVIIXIVIZCE-LLVKDONJSA-N -1 0 318.395 -0.019 20 0 DBADRM CCn1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001604017611 1018280352 /nfs/dbraw/zinc/28/03/52/1018280352.db2.gz BQCGDDNQJMKEAF-VIFPVBQESA-N -1 0 301.324 -0.773 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001604045314 1018282342 /nfs/dbraw/zinc/28/23/42/1018282342.db2.gz ZJFUKZAIHZTSAR-DTWKUNHWSA-N -1 0 322.348 -0.009 20 0 DBADRM CC(C)n1ncc(C(=O)NCCn2cc(C(=O)[O-])nn2)c1N ZINC001604042633 1018282385 /nfs/dbraw/zinc/28/23/85/1018282385.db2.gz DKCIBJIHDLAYQY-UHFFFAOYSA-N -1 0 307.314 -0.234 20 0 DBADRM CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001604040530 1018283094 /nfs/dbraw/zinc/28/30/94/1018283094.db2.gz CMXKBIBBEXFNMS-YUMQZZPRSA-N -1 0 301.324 -0.794 20 0 DBADRM CC(C)n1cc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001604036131 1018283137 /nfs/dbraw/zinc/28/31/37/1018283137.db2.gz MUXFRXAITBADMX-WDEREUQCSA-N -1 0 324.337 -0.161 20 0 DBADRM CC[C@H](COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC001604040644 1018283217 /nfs/dbraw/zinc/28/32/17/1018283217.db2.gz SPJSONTYKLVHHV-JGVFFNPUSA-N -1 0 323.313 -0.238 20 0 DBADRM CN(C)C(=O)CCCOC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604041500 1018283614 /nfs/dbraw/zinc/28/36/14/1018283614.db2.gz QNXUTJFTZIHRHP-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM CN(C)C(=O)c1ccnc(NC(=O)c2cn(CC(=O)[O-])nn2)c1 ZINC001604046579 1018284316 /nfs/dbraw/zinc/28/43/16/1018284316.db2.gz OAQWETXZZPAHNK-UHFFFAOYSA-N -1 0 318.293 -0.288 20 0 DBADRM CC(C)n1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001604037115 1018284334 /nfs/dbraw/zinc/28/43/34/1018284334.db2.gz KMCFMKMTVPIAGZ-JTQLQIEISA-N -1 0 315.351 -0.212 20 0 DBADRM CN(C)[C@H](C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)c1cncn1C ZINC001604046096 1018284518 /nfs/dbraw/zinc/28/45/18/1018284518.db2.gz GDFUNCPYCMFTLR-WBIUFABUSA-N -1 0 322.365 -0.418 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)CS(C)(=O)=O)c1ccccn1 ZINC001604078792 1018289390 /nfs/dbraw/zinc/28/93/90/1018289390.db2.gz RHLKQGBLQCQVHP-LBPRGKRZSA-N -1 0 300.336 -0.068 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)CN1C(=O)CNC1=O)c1ccccn1 ZINC001604077662 1018291555 /nfs/dbraw/zinc/29/15/55/1018291555.db2.gz IQVJJXAMRNMWEH-AWEZNQCLSA-N -1 0 320.305 -0.561 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(OC(=O)COCC(=O)[O-])cc1 ZINC001604083711 1018292404 /nfs/dbraw/zinc/29/24/04/1018292404.db2.gz PZMDTTLAECRHJW-UHFFFAOYSA-N -1 0 317.319 -0.057 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001604094240 1018294878 /nfs/dbraw/zinc/29/48/78/1018294878.db2.gz LKHLFHKCJQPIQN-OPRDCNLKSA-N -1 0 306.384 -0.069 20 0 DBADRM CN(CC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1ncnc2nc[nH]c21 ZINC001604102893 1018295399 /nfs/dbraw/zinc/29/53/99/1018295399.db2.gz TUALBVMZXYFZEB-ZKCHVHJHSA-N -1 0 304.310 -0.232 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001604095263 1018295446 /nfs/dbraw/zinc/29/54/46/1018295446.db2.gz SGPPCHHXIGDYNG-ZETCQYMHSA-N -1 0 314.385 -0.729 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC001604105377 1018296346 /nfs/dbraw/zinc/29/63/46/1018296346.db2.gz QZWGDYAOGUTANI-NXEZZACHSA-N -1 0 322.383 -0.736 20 0 DBADRM Cc1cncn1CC(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500241458 1018296674 /nfs/dbraw/zinc/29/66/74/1018296674.db2.gz MVXZUJYFPNWINA-CQSZACIVSA-N -1 0 319.369 -0.204 20 0 DBADRM CC/C=C\CNC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001604120924 1018297914 /nfs/dbraw/zinc/29/79/14/1018297914.db2.gz XRBQYYXWBSRDBF-ARJAWSKDSA-N -1 0 305.298 -0.789 20 0 DBADRM CN(CC(=O)[O-])C(=O)c1cn(CCO)nc1C1CCOCC1 ZINC001604112461 1018298571 /nfs/dbraw/zinc/29/85/71/1018298571.db2.gz TURBXRODYRBZDU-UHFFFAOYSA-N -1 0 311.338 -0.074 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCCC(=O)NC(C)(C)C ZINC001604134164 1018301798 /nfs/dbraw/zinc/30/17/98/1018301798.db2.gz SDPFPNBSHPBAEM-UHFFFAOYSA-N -1 0 301.343 -0.660 20 0 DBADRM CCC[C@@H](C)[C@H](CO)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001604134258 1018301877 /nfs/dbraw/zinc/30/18/77/1018301877.db2.gz DPCWHUWFBKDVQX-BDAKNGLRSA-N -1 0 308.346 -0.629 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001604125090 1018302217 /nfs/dbraw/zinc/30/22/17/1018302217.db2.gz HYSGBRDIHLKVET-MRVPVSSYSA-N -1 0 309.326 -0.761 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)NC/C=C/CNc1ncc(C(=O)[O-])cn1 ZINC001604125289 1018302695 /nfs/dbraw/zinc/30/26/95/1018302695.db2.gz NMDYUZVJJCAXND-HPOULIHZSA-N -1 0 321.337 -0.229 20 0 DBADRM C[C@@](CCF)(NC(=O)[C@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001604140973 1018302814 /nfs/dbraw/zinc/30/28/14/1018302814.db2.gz XKZAVDYMULUNHX-MADCSZMMSA-N -1 0 300.290 -0.135 20 0 DBADRM C[C@]1(NC(=O)Cc2ncc[nH]2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500271081 1018303477 /nfs/dbraw/zinc/30/34/77/1018303477.db2.gz BSXRVIUSXDIEQH-ZDUSSCGKSA-N -1 0 305.342 -0.443 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC001604133758 1018303812 /nfs/dbraw/zinc/30/38/12/1018303812.db2.gz HSJNJZLIQAPZRD-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@](CCF)(NC(=O)CN1CCCCC(=O)C1=O)C(=O)[O-] ZINC001604140632 1018303982 /nfs/dbraw/zinc/30/39/82/1018303982.db2.gz TYYABBTYQRVILH-CYBMUJFWSA-N -1 0 302.302 -0.113 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC001604134066 1018304126 /nfs/dbraw/zinc/30/41/26/1018304126.db2.gz OFWNRUIERXPTSJ-SNVBAGLBSA-N -1 0 324.337 -0.209 20 0 DBADRM C[C@@]1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCN(CCF)C1 ZINC001500267151 1018305197 /nfs/dbraw/zinc/30/51/97/1018305197.db2.gz AHRSOVCRHIUTQS-CQSZACIVSA-N -1 0 322.344 -0.379 20 0 DBADRM CCCCC(=O)Cn1c(=O)c(-c2nnn[n-]2)cn(CC)c1=O ZINC001604156961 1018305814 /nfs/dbraw/zinc/30/58/14/1018305814.db2.gz PVIWNMSMAUACPX-UHFFFAOYSA-N -1 0 306.326 -0.031 20 0 DBADRM C[C@H](CN(C(=O)[C@@H]1CCN=C2C1=NNN2C)C1CC1)C(=O)[O-] ZINC001604150051 1018306939 /nfs/dbraw/zinc/30/69/39/1018306939.db2.gz PCRLYBLKZFYFBW-PSASIEDQSA-N -1 0 307.354 -0.078 20 0 DBADRM C[C@@](CCF)(NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC001604142402 1018307872 /nfs/dbraw/zinc/30/78/72/1018307872.db2.gz NODWGTZDKBSEEL-QMMMGPOBSA-N -1 0 305.349 -0.847 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)Cc1cc[nH]n1 ZINC001604142776 1018307944 /nfs/dbraw/zinc/30/79/44/1018307944.db2.gz XMJFQIKOSODWPB-SECBINFHSA-N -1 0 318.337 -0.131 20 0 DBADRM CN(CCCNC(=O)C1CCC1)C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001604169112 1018308525 /nfs/dbraw/zinc/30/85/25/1018308525.db2.gz YICAEFKSLWMHTA-LLVKDONJSA-N -1 0 311.338 -0.019 20 0 DBADRM C[C@H](CN(C1CC1)S(=O)(=O)N1CCN(C)CC1)C(=O)[O-] ZINC001604159495 1018308649 /nfs/dbraw/zinc/30/86/49/1018308649.db2.gz UWNVRVMJINPUCC-SNVBAGLBSA-N -1 0 305.400 -0.336 20 0 DBADRM C[C@@H](CN1CCOCC1)C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001604166383 1018308765 /nfs/dbraw/zinc/30/87/65/1018308765.db2.gz AQEOUHRSCOKTPT-RYUDHWBXSA-N -1 0 300.355 -0.343 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1)C(=O)[O-] ZINC001604206752 1018322039 /nfs/dbraw/zinc/32/20/39/1018322039.db2.gz RNTGRJSMIFAQOO-KXUCPTDWSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1COCCO1 ZINC001604158983 1018309368 /nfs/dbraw/zinc/30/93/68/1018309368.db2.gz HKYCJFASBCWJFT-ONGXEEELSA-N -1 0 324.337 -0.469 20 0 DBADRM C[C@H](CN1CCC[C@@H]1C(=O)NCC(=O)[O-])CS(C)(=O)=O ZINC001604164474 1018309998 /nfs/dbraw/zinc/30/99/98/1018309998.db2.gz BCEDSDQOVKPJRA-NXEZZACHSA-N -1 0 306.384 -0.668 20 0 DBADRM C[C@H](CN1CCOCC1)C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001604166839 1018310559 /nfs/dbraw/zinc/31/05/59/1018310559.db2.gz HPBFLOFLRGWZNA-RISCZKNCSA-N -1 0 300.355 -0.295 20 0 DBADRM C[C@H](CNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC001604176406 1018311839 /nfs/dbraw/zinc/31/18/39/1018311839.db2.gz REACSZZQMXVJOQ-HLTSFMKQSA-N -1 0 308.356 -0.697 20 0 DBADRM CN(CCNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)CCS(C)(=O)=O ZINC001604174828 1018311951 /nfs/dbraw/zinc/31/19/51/1018311951.db2.gz BWZDSXKZSUSSDF-JTQLQIEISA-N -1 0 322.427 -0.174 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCNC1=O)N(C)c1ccnc(C(=O)[O-])n1 ZINC001604172777 1018312367 /nfs/dbraw/zinc/31/23/67/1018312367.db2.gz DRHPDLMQOBCCNT-IUCAKERBSA-N -1 0 321.337 -0.748 20 0 DBADRM C[C@@H](CNC(=O)Cn1cncn1)Nc1ncc(C(=O)[O-])cn1 ZINC001604174709 1018312503 /nfs/dbraw/zinc/31/25/03/1018312503.db2.gz VGPGNYPOILKXLG-QMMMGPOBSA-N -1 0 305.298 -0.617 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NC[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001604171735 1018312531 /nfs/dbraw/zinc/31/25/31/1018312531.db2.gz GALYTQQSVBPJGC-SFYZADRCSA-N -1 0 309.326 -0.397 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)Nc1ncc(C(=O)[O-])cn1 ZINC001604172699 1018312773 /nfs/dbraw/zinc/31/27/73/1018312773.db2.gz AXCRWZFMUKCOCK-IUCAKERBSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@H](C[S@@](C)=O)N(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001604210481 1018323052 /nfs/dbraw/zinc/32/30/52/1018323052.db2.gz GQSPTHIAOMQNBI-FDXSBTRWSA-N -1 0 318.395 -0.465 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1ccnc(C(=O)[O-])n1 ZINC001604181024 1018314198 /nfs/dbraw/zinc/31/41/98/1018314198.db2.gz NFSUSZASAWIBQX-BDAKNGLRSA-N -1 0 321.337 -0.961 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001604180891 1018314641 /nfs/dbraw/zinc/31/46/41/1018314641.db2.gz YQGXQSFZCANYHB-IUCAKERBSA-N -1 0 308.356 -0.997 20 0 DBADRM C[C@@H](CNC(=O)c1cn(C)cn1)CNc1ccnc(C(=O)[O-])n1 ZINC001604183512 1018315358 /nfs/dbraw/zinc/31/53/58/1018315358.db2.gz KEGRTJAJRADRKM-SECBINFHSA-N -1 0 318.337 -0.192 20 0 DBADRM CN(Cc1ncccn1)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604195241 1018316352 /nfs/dbraw/zinc/31/63/52/1018316352.db2.gz OGFOGLVUQMATRM-JTQLQIEISA-N -1 0 306.322 -0.242 20 0 DBADRM CN(Cc1nc[nH]n1)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001604194686 1018316448 /nfs/dbraw/zinc/31/64/48/1018316448.db2.gz BTLGEJJBNVEVGQ-UHFFFAOYSA-N -1 0 309.326 -0.524 20 0 DBADRM C[C@@](CO)(NCc1cnc(N2CCOCC2)s1)C(=O)[O-] ZINC001604195727 1018316587 /nfs/dbraw/zinc/31/65/87/1018316587.db2.gz LTYWROUMYHSSQK-LBPRGKRZSA-N -1 0 301.368 -0.095 20 0 DBADRM C[C@@](CO)(NC(=O)c1csc(S(C)(=O)=O)c1)C(=O)[O-] ZINC001604194586 1018316986 /nfs/dbraw/zinc/31/69/86/1018316986.db2.gz FOISSQHUGRYTBY-JTQLQIEISA-N -1 0 307.349 -0.283 20 0 DBADRM CN(Cc1ccn(C)n1)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604196661 1018317062 /nfs/dbraw/zinc/31/70/62/1018317062.db2.gz BTMPMCXTDBQYDH-NSHDSACASA-N -1 0 308.338 -0.298 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)C2(C(=O)[O-])CCSCC2)C1=O ZINC001604196642 1018317335 /nfs/dbraw/zinc/31/73/35/1018317335.db2.gz QYODWKIHIKESLA-QMMMGPOBSA-N -1 0 314.363 -0.152 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)O[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001604197098 1018317388 /nfs/dbraw/zinc/31/73/88/1018317388.db2.gz XBMCGHWGMDJGAB-NXEZZACHSA-N -1 0 312.322 -0.384 20 0 DBADRM C[C@](CO)(NC(=O)Cn1nnnc1-c1ccccc1)C(=O)[O-] ZINC001604193120 1018317940 /nfs/dbraw/zinc/31/79/40/1018317940.db2.gz DWSBRYCVYODHIN-CYBMUJFWSA-N -1 0 305.294 -0.708 20 0 DBADRM C[C@](CO)(NC(=O)c1cn(Cc2cccs2)nn1)C(=O)[O-] ZINC001604193503 1018318106 /nfs/dbraw/zinc/31/81/06/1018318106.db2.gz QWPXDXVACAIFNP-GFCCVEGCSA-N -1 0 310.335 -0.047 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001604202734 1018320133 /nfs/dbraw/zinc/32/01/33/1018320133.db2.gz HNCSDMIWOBQBKD-WRWGMCAJSA-N -1 0 316.354 -0.343 20 0 DBADRM CN1CCC(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CC1 ZINC001604202671 1018320559 /nfs/dbraw/zinc/32/05/59/1018320559.db2.gz IOUQHXIUFRRRIS-SNVBAGLBSA-N -1 0 304.368 -0.962 20 0 DBADRM C[C@H](C[S@](C)=O)N(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001604210489 1018322894 /nfs/dbraw/zinc/32/28/94/1018322894.db2.gz GQSPTHIAOMQNBI-ULQSSITMSA-N -1 0 318.395 -0.465 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1)C(=O)[O-] ZINC001604206999 1018323081 /nfs/dbraw/zinc/32/30/81/1018323081.db2.gz VTSSZZBEQSPMAZ-HLTSFMKQSA-N -1 0 313.397 -0.456 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1)C(=O)[O-] ZINC001604206753 1018323314 /nfs/dbraw/zinc/32/33/14/1018323314.db2.gz RNTGRJSMIFAQOO-OPRDCNLKSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@H](CS(=O)(=O)NCCCn1cccnc1=O)C(=O)[O-] ZINC001604210299 1018323324 /nfs/dbraw/zinc/32/33/24/1018323324.db2.gz VGPANMUQSFYSEG-SECBINFHSA-N -1 0 303.340 -0.727 20 0 DBADRM CN1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)C[C@@H]1CO ZINC001604221823 1018324416 /nfs/dbraw/zinc/32/44/16/1018324416.db2.gz WQPGXXVYUYWROK-GFCCVEGCSA-N -1 0 308.334 -0.102 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@@H]1CCCCN(C)C1=O)C(=O)[O-] ZINC001604216269 1018325645 /nfs/dbraw/zinc/32/56/45/1018325645.db2.gz GREZLACIJNEBBM-GXSJLCMTSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@@H](Cc1ccc(NC(=O)C(=O)NCCC(N)=O)cc1)C(=O)[O-] ZINC001604223435 1018325811 /nfs/dbraw/zinc/32/58/11/1018325811.db2.gz BZZYJIVKTSVTPF-VIFPVBQESA-N -1 0 321.333 -0.120 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001604215621 1018326146 /nfs/dbraw/zinc/32/61/46/1018326146.db2.gz VZVLDAFPGAUYHQ-ZPWHCFADSA-N -1 0 300.336 -0.570 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN([S@@](C)(=N)=O)CC1)C(=O)[O-] ZINC001604211784 1018326872 /nfs/dbraw/zinc/32/68/72/1018326872.db2.gz WJEAWVGLMNFGII-NTCNTBNZSA-N -1 0 313.401 -0.754 20 0 DBADRM C[C@H](Cc1ccc(NC(=O)C(=O)NCCC(N)=O)cc1)C(=O)[O-] ZINC001604223434 1018327169 /nfs/dbraw/zinc/32/71/69/1018327169.db2.gz BZZYJIVKTSVTPF-SECBINFHSA-N -1 0 321.333 -0.120 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@H]1CCCCN(C)C1=O)C(=O)[O-] ZINC001604216271 1018327234 /nfs/dbraw/zinc/32/72/34/1018327234.db2.gz GREZLACIJNEBBM-MWLCHTKSSA-N -1 0 308.338 -0.080 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)C2(C(=O)[O-])CC=CC2)n1 ZINC001604240410 1018329820 /nfs/dbraw/zinc/32/98/20/1018329820.db2.gz CRQCBALSLWZMFP-UHFFFAOYSA-N -1 0 309.278 -0.178 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001604232560 1018330342 /nfs/dbraw/zinc/33/03/42/1018330342.db2.gz SRJPNXFDAVFDJT-NOZJJQNGSA-N -1 0 317.342 -0.977 20 0 DBADRM CNC(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC001604231918 1018330354 /nfs/dbraw/zinc/33/03/54/1018330354.db2.gz KCLVBCJCFCCQQU-UWVGGRQHSA-N -1 0 313.354 -0.946 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)C(=O)N(C)CCC(=O)[O-])c1 ZINC001604247072 1018331677 /nfs/dbraw/zinc/33/16/77/1018331677.db2.gz CZWDODJMPHOPPC-UHFFFAOYSA-N -1 0 321.333 -0.405 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N(CC(=O)[O-])C(C)C)CC1 ZINC001604249041 1018331792 /nfs/dbraw/zinc/33/17/92/1018331792.db2.gz DPBVSQZDHYVDBP-UHFFFAOYSA-N -1 0 321.399 -0.516 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(N)=O ZINC001604241706 1018332276 /nfs/dbraw/zinc/33/22/76/1018332276.db2.gz FMSWMDZUWSOFBG-RBZYPMLTSA-N -1 0 308.338 -0.256 20 0 DBADRM C[C@H](Cn1cncn1)NS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001604250122 1018333646 /nfs/dbraw/zinc/33/36/46/1018333646.db2.gz STXYMBVTXSTSQE-MRVPVSSYSA-N -1 0 311.323 -0.262 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC001604249381 1018333847 /nfs/dbraw/zinc/33/38/47/1018333847.db2.gz JJGVLVYKZLMMNY-VIFPVBQESA-N -1 0 302.352 -0.443 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)c1ccc[nH]1 ZINC001604256740 1018334099 /nfs/dbraw/zinc/33/40/99/1018334099.db2.gz SPSGOMIUAXZCAS-GUBZILKMSA-N -1 0 309.322 -0.514 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-])c1ncnn1C ZINC001604255748 1018334753 /nfs/dbraw/zinc/33/47/53/1018334753.db2.gz KLLJPUFGXSEKJJ-IUCAKERBSA-N -1 0 309.326 -0.542 20 0 DBADRM CC(F)(F)Cn1nnnc1N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001604251950 1018334776 /nfs/dbraw/zinc/33/47/76/1018334776.db2.gz FHOSIPRCBPXDFO-MRVPVSSYSA-N -1 0 305.285 -0.010 20 0 DBADRM C[C@@H](OC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NCC(=O)[O-] ZINC001604262614 1018336121 /nfs/dbraw/zinc/33/61/21/1018336121.db2.gz GWMGJVJLPQNHHF-JGVFFNPUSA-N -1 0 302.327 -0.330 20 0 DBADRM C[C@@H](NC(=O)C1(C(N)=O)CC1)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604265812 1018336441 /nfs/dbraw/zinc/33/64/41/1018336441.db2.gz UYNMUVZFEQENLO-HTQZYQBOSA-N -1 0 321.337 -0.833 20 0 DBADRM COC(=O)[C@H](COC(C)C)N(C)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001604267308 1018336950 /nfs/dbraw/zinc/33/69/50/1018336950.db2.gz GDNROGCVEUWAGK-MNOVXSKESA-N -1 0 316.354 -0.430 20 0 DBADRM COC(=O)C(C)(C)N1CCN(C(=O)[C@](C)(OC)C(=O)[O-])CC1 ZINC001604262283 1018337320 /nfs/dbraw/zinc/33/73/20/1018337320.db2.gz CHPDARXYHHAKRN-AWEZNQCLSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)[C@@H](CC1CC1)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001604267449 1018337637 /nfs/dbraw/zinc/33/76/37/1018337637.db2.gz HPHZYODBOPYITH-ZJUUUORDSA-N -1 0 320.367 -0.289 20 0 DBADRM COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001604267363 1018337727 /nfs/dbraw/zinc/33/77/27/1018337727.db2.gz GWAWBGIMRPPZGU-JEZHCXPESA-N -1 0 314.294 -0.557 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC001604262616 1018338067 /nfs/dbraw/zinc/33/80/67/1018338067.db2.gz GWMGJVJLPQNHHF-YUMQZZPRSA-N -1 0 302.327 -0.330 20 0 DBADRM COC(=O)C1(CNC(=O)NC[C@@H](C)C(=O)[O-])CCOCC1 ZINC001604276038 1018340190 /nfs/dbraw/zinc/34/01/90/1018340190.db2.gz RYBVCHDCLPGNIP-SECBINFHSA-N -1 0 302.327 -0.024 20 0 DBADRM C[C@@H](NC(=O)CN[C@H](C(=O)[O-])c1cccc(O)c1)C(=O)N(C)C ZINC001604272963 1018340241 /nfs/dbraw/zinc/34/02/41/1018340241.db2.gz JKWDBBSFWNNSKS-RNCFNFMXSA-N -1 0 323.349 -0.300 20 0 DBADRM COC(=O)[C@H](O)C1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001604271911 1018340495 /nfs/dbraw/zinc/34/04/95/1018340495.db2.gz PGVLASNPJHCJIQ-SNVBAGLBSA-N -1 0 311.294 -0.506 20 0 DBADRM C[C@H](NC(=O)CN1CCSC[C@H](C(=O)[O-])C1)C(=O)N(C)C ZINC001604274981 1018340667 /nfs/dbraw/zinc/34/06/67/1018340667.db2.gz IGLPLNKJVJFRFA-VHSXEESVSA-N -1 0 317.411 -0.671 20 0 DBADRM C[C@@H](NC(=O)CN1C(=O)CNC1=O)c1ncc(C(=O)[O-])s1 ZINC001604274957 1018340772 /nfs/dbraw/zinc/34/07/72/1018340772.db2.gz IEWRSRDCCZOMSB-RXMQYKEDSA-N -1 0 312.307 -0.430 20 0 DBADRM CCN(CC)C(=O)Cn1c(=O)c(-c2nnn[n-]2)cn(CC)c1=O ZINC001604281616 1018341673 /nfs/dbraw/zinc/34/16/73/1018341673.db2.gz HKXPDDLRVGBODJ-UHFFFAOYSA-N -1 0 321.341 -0.922 20 0 DBADRM C[C@H](NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC001604283109 1018342000 /nfs/dbraw/zinc/34/20/00/1018342000.db2.gz PDJYJROYMODUSS-YFKTTZPYSA-N -1 0 315.370 -0.411 20 0 DBADRM CCN(C[C@H]1CCOC1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604289202 1018342439 /nfs/dbraw/zinc/34/24/39/1018342439.db2.gz GJFJNGMPYCSFIS-MRVPVSSYSA-N -1 0 321.341 -0.884 20 0 DBADRM C[C@H](NC(=O)NCCC(=O)NCCC(=O)[O-])c1cnn(C)c1 ZINC001604290941 1018342473 /nfs/dbraw/zinc/34/24/73/1018342473.db2.gz KSVDFEVVHIRABF-VIFPVBQESA-N -1 0 311.342 -0.239 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC)CCN1CCS(=O)(=O)CC(=O)[O-] ZINC001604280526 1018343582 /nfs/dbraw/zinc/34/35/82/1018343582.db2.gz QJJFQESHGMKNLE-ZJUUUORDSA-N -1 0 323.367 -0.862 20 0 DBADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])nn1C)C(=O)NCCF ZINC001604296518 1018345754 /nfs/dbraw/zinc/34/57/54/1018345754.db2.gz TVSMXNXGLWQHLM-LURJTMIESA-N -1 0 301.278 -0.286 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C[C@@H]1C(=O)OC ZINC001604291684 1018346379 /nfs/dbraw/zinc/34/63/79/1018346379.db2.gz CBRXRCAZGSPGDX-JWUFEOHASA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)CS(=O)(=O)C(C)C ZINC001604303510 1018346647 /nfs/dbraw/zinc/34/66/47/1018346647.db2.gz OWCYBBIEXBJYFD-UHFFFAOYSA-N -1 0 309.340 -0.714 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H](C(=O)[O-])C2CC2)C[C@H]1C(=O)OC ZINC001604293165 1018347107 /nfs/dbraw/zinc/34/71/07/1018347107.db2.gz RKJNDEGXMNRCAC-OPRDCNLKSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C[C@@H]1CCOC[C@@H]1OC ZINC001604302801 1018347500 /nfs/dbraw/zinc/34/75/00/1018347500.db2.gz BPCNVSKVCOCQHK-QWRGUYRKSA-N -1 0 317.338 -0.096 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001604311881 1018348780 /nfs/dbraw/zinc/34/87/80/1018348780.db2.gz YKVQYDPVWQCCQF-PHIMTYICSA-N -1 0 324.333 -0.155 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001604312386 1018349149 /nfs/dbraw/zinc/34/91/49/1018349149.db2.gz AFQWUAXDGRSBSY-PSASIEDQSA-N -1 0 321.293 -0.741 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@]1(C)CCN(C)C1=O ZINC001604303633 1018350102 /nfs/dbraw/zinc/35/01/02/1018350102.db2.gz UTBFTPXCYCRXTD-CYBMUJFWSA-N -1 0 300.311 -0.669 20 0 DBADRM C[C@@H](NC(=O)c1ccn(C)n1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604312439 1018350140 /nfs/dbraw/zinc/35/01/40/1018350140.db2.gz BJALFCAKRPDLGM-DTWKUNHWSA-N -1 0 318.337 -0.051 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001604326005 1018350904 /nfs/dbraw/zinc/35/09/04/1018350904.db2.gz IZTWIFUZANOBRD-XHNCKOQMSA-N -1 0 301.295 -0.292 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1ccoc1CC(N)=O)C(=O)[O-] ZINC001604322323 1018351037 /nfs/dbraw/zinc/35/10/37/1018351037.db2.gz NNWINFLMIKYGBJ-QMMMGPOBSA-N -1 0 312.278 -0.556 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1ccn2nnnc2c1)C(=O)[O-] ZINC001604321783 1018351980 /nfs/dbraw/zinc/35/19/80/1018351980.db2.gz FBBXTWLZTVYAJG-QMMMGPOBSA-N -1 0 307.266 -0.740 20 0 DBADRM COC(=O)CCN1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)[C@H](C)C1 ZINC001604317474 1018352288 /nfs/dbraw/zinc/35/22/88/1018352288.db2.gz WHWDEPIOTRLUAL-SECBINFHSA-N -1 0 324.337 -0.183 20 0 DBADRM CCN1CCN(Cn2ccc(C)c(-c3nnn[n-]3)c2=O)CC1=O ZINC001604344926 1018356530 /nfs/dbraw/zinc/35/65/30/1018356530.db2.gz BVVVNZPRGVRJEK-UHFFFAOYSA-N -1 0 317.353 -0.542 20 0 DBADRM COC(=O)N[C@H](C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O)C(C)C ZINC001604344935 1018356736 /nfs/dbraw/zinc/35/67/36/1018356736.db2.gz HXSGMHXDIOFCCJ-WPRPVWTQSA-N -1 0 316.310 -0.404 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)[C@@H](O)C(F)(F)F ZINC001604353768 1018358152 /nfs/dbraw/zinc/35/81/52/1018358152.db2.gz CWBLWAVEPWLAAT-BBIVZNJYSA-N -1 0 317.245 -0.302 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC001604354355 1018358366 /nfs/dbraw/zinc/35/83/66/1018358366.db2.gz AKNKPXCMUNVYCX-UTLUCORTSA-N -1 0 321.351 -0.557 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)NCC2(C(=O)[O-])CCOCC2)O1 ZINC001604354376 1018359761 /nfs/dbraw/zinc/35/97/61/1018359761.db2.gz BJPKLBXHVOPJPE-ZJUUUORDSA-N -1 0 315.322 -0.295 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])C1 ZINC001604354648 1018360416 /nfs/dbraw/zinc/36/04/16/1018360416.db2.gz PKIVSEKPVKMRCS-UTLUCORTSA-N -1 0 321.351 -0.557 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C(=O)[O-])c1cccnc1 ZINC001604359654 1018361330 /nfs/dbraw/zinc/36/13/30/1018361330.db2.gz VYBJCPSTEFQUNK-VXNVDRBHSA-N -1 0 301.324 -0.739 20 0 DBADRM COC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604361928 1018362629 /nfs/dbraw/zinc/36/26/29/1018362629.db2.gz VUVFHRZIMIKNPD-IUCAKERBSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001604361127 1018363642 /nfs/dbraw/zinc/36/36/42/1018363642.db2.gz JPEPVNLYCRHKSM-VHSXEESVSA-N -1 0 320.367 -0.192 20 0 DBADRM COC(=O)c1cc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)ccn1 ZINC001604372362 1018363844 /nfs/dbraw/zinc/36/38/44/1018363844.db2.gz ZRSLLJOJCFUGNC-SNVBAGLBSA-N -1 0 307.262 -0.286 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccc(C(N)=O)c(Cl)n1)C(=O)[O-] ZINC001604373638 1018366491 /nfs/dbraw/zinc/36/64/91/1018366491.db2.gz XVKDBBGDHXMSKY-LLVKDONJSA-N -1 0 301.686 -0.601 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001604377288 1018366250 /nfs/dbraw/zinc/36/62/50/1018366250.db2.gz BTEUGCASKJCDDG-HQJQHLMTSA-N -1 0 309.322 -0.063 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCO[C@H]([C@H](C)O)C1 ZINC001604379822 1018366281 /nfs/dbraw/zinc/36/62/81/1018366281.db2.gz IDFAQBRMGDUWGP-MDZLAQPJSA-N -1 0 314.382 -0.220 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001604378117 1018366402 /nfs/dbraw/zinc/36/64/02/1018366402.db2.gz JWNYPLARXNGMTD-KWQFWETISA-N -1 0 300.355 -0.121 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)Nc2ccc(C(=O)[O-])nc2)CC1 ZINC001604377703 1018366540 /nfs/dbraw/zinc/36/65/40/1018366540.db2.gz HOYKDLLKSAMKEI-SECBINFHSA-N -1 0 322.321 -0.163 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C1 ZINC001604379796 1018366727 /nfs/dbraw/zinc/36/67/27/1018366727.db2.gz HZASLBMDLPBCHP-SQYUCLKFSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H](O)CN(C(=O)Nc1cc(C(=O)[O-])nn1C)[C@H](C)CO ZINC001604386187 1018367854 /nfs/dbraw/zinc/36/78/54/1018367854.db2.gz CZWSCTDRISTHGM-HTQZYQBOSA-N -1 0 300.315 -0.286 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001604387429 1018368008 /nfs/dbraw/zinc/36/80/08/1018368008.db2.gz WEHKFNCJGQBCNF-SFYZADRCSA-N -1 0 300.315 -0.286 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001604380619 1018368583 /nfs/dbraw/zinc/36/85/83/1018368583.db2.gz VOYVYKBJPHTUCY-OQPBUACISA-N -1 0 321.333 -0.077 20 0 DBADRM C[C@@H](O)CN(C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C1CC1 ZINC001604386664 1018369020 /nfs/dbraw/zinc/36/90/20/1018369020.db2.gz LUXBPTWFJMDVKJ-SSDOTTSWSA-N -1 0 310.310 -0.571 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)COCc2ocnc2C(=O)[O-])CCO1 ZINC001604381513 1018369178 /nfs/dbraw/zinc/36/91/78/1018369178.db2.gz WTQGAMZDFQWPCA-DTWKUNHWSA-N -1 0 314.294 -0.502 20 0 DBADRM C[C@@H](O)CN1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)[C@H](C)C1 ZINC001604387366 1018369425 /nfs/dbraw/zinc/36/94/25/1018369425.db2.gz OCSHVMKCHHGSCY-GHMZBOCLSA-N -1 0 320.411 -0.290 20 0 DBADRM C[C@H](O)C[C@H](C)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604383962 1018369487 /nfs/dbraw/zinc/36/94/87/1018369487.db2.gz RSJGQDUNQQVZDQ-UWVGGRQHSA-N -1 0 303.359 -0.326 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)c1cn(CC(=O)[O-])nn1 ZINC001604396604 1018369928 /nfs/dbraw/zinc/36/99/28/1018369928.db2.gz HSHNVIANEAPGFO-HTQZYQBOSA-N -1 0 317.323 -0.598 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)[C@H](C)C1 ZINC001604387746 1018370878 /nfs/dbraw/zinc/37/08/78/1018370878.db2.gz VRKYKBRDNDVNRX-KKOKHZNYSA-N -1 0 300.355 -0.468 20 0 DBADRM C[C@@H](O)CN(C(=O)CCCn1ccc(C(=O)[O-])n1)[C@@H](C)CO ZINC001604387630 1018372221 /nfs/dbraw/zinc/37/22/21/1018372221.db2.gz ZCGAEIVDMIILAU-WDEREUQCSA-N -1 0 313.354 -0.048 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)nn1 ZINC001604389704 1018372366 /nfs/dbraw/zinc/37/23/66/1018372366.db2.gz ZVCLFKGXFQUYAG-PELKAZGASA-N -1 0 312.326 -0.985 20 0 DBADRM CCO[C@H](C)c1noc(Cn2cncc(-c3nnn[n-]3)c2=O)n1 ZINC001604401731 1018372494 /nfs/dbraw/zinc/37/24/94/1018372494.db2.gz YSWAVUHBFXIWRC-SSDOTTSWSA-N -1 0 318.297 -0.048 20 0 DBADRM C[C@@H](OC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)C(=O)[O-] ZINC001604392926 1018372730 /nfs/dbraw/zinc/37/27/30/1018372730.db2.gz NVMJDNMUSLNHDL-HTRCEHHLSA-N -1 0 309.340 -0.464 20 0 DBADRM COC(=O)c1coc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC001604403887 1018373816 /nfs/dbraw/zinc/37/38/16/1018373816.db2.gz XTITZECMYQUKOF-MRVPVSSYSA-N -1 0 311.246 -0.092 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC001604423718 1018376785 /nfs/dbraw/zinc/37/67/85/1018376785.db2.gz HNCRRARNKNJQFX-BDAKNGLRSA-N -1 0 302.352 -0.390 20 0 DBADRM C[C@@H](OC[C@H]1CCCO1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001604423152 1018377605 /nfs/dbraw/zinc/37/76/05/1018377605.db2.gz VDEPVZMCIJQDTF-UKKRHICBSA-N -1 0 316.354 -0.336 20 0 DBADRM C[C@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)NCC(=O)[O-] ZINC001604417812 1018377630 /nfs/dbraw/zinc/37/76/30/1018377630.db2.gz MYZVIYQXVFAWJZ-QMMMGPOBSA-N -1 0 319.277 -0.592 20 0 DBADRM C[C@@H](OC[C@@H]1CCCO1)C(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001604421808 1018377888 /nfs/dbraw/zinc/37/78/88/1018377888.db2.gz AFKIAUMZWRUWQY-ICYKSAPQSA-N -1 0 301.339 -0.088 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1cc(-c2cccnc2)nn1CCO ZINC001604433113 1018380440 /nfs/dbraw/zinc/38/04/40/1018380440.db2.gz BQDSDINALCNITR-LBPRGKRZSA-N -1 0 320.305 -0.025 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC001604432824 1018382191 /nfs/dbraw/zinc/38/21/91/1018382191.db2.gz WBSZDVPFENIVDC-MRVPVSSYSA-N -1 0 322.383 -0.547 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC001604432115 1018382468 /nfs/dbraw/zinc/38/24/68/1018382468.db2.gz LSUQUWOLLMNZHG-ZDUSSCGKSA-N -1 0 324.333 -0.131 20 0 DBADRM C[C@H](Sc1nnc(-c2cnccn2)n1C)C(=O)NCC(=O)[O-] ZINC001604459044 1018383005 /nfs/dbraw/zinc/38/30/05/1018383005.db2.gz NPQRNBZNOSVUFY-ZETCQYMHSA-N -1 0 322.350 -0.047 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)CCO)cc1 ZINC001604442984 1018383178 /nfs/dbraw/zinc/38/31/78/1018383178.db2.gz ZKRDKNRWMFXSBF-JTQLQIEISA-N -1 0 317.319 -0.509 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC001604454804 1018383245 /nfs/dbraw/zinc/38/32/45/1018383245.db2.gz FNFUCQGAGLOYRB-JDFFRZJASA-N -1 0 313.310 -0.887 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC(C(=O)NCCCO)CC1 ZINC001604450800 1018383262 /nfs/dbraw/zinc/38/32/62/1018383262.db2.gz MSPWVQXKRSKYDS-CQSZACIVSA-N -1 0 316.354 -0.787 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001604460088 1018383528 /nfs/dbraw/zinc/38/35/28/1018383528.db2.gz XWNCWDLWGNDSJZ-CIUDSAMLSA-N -1 0 314.367 -0.410 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC001604450386 1018384428 /nfs/dbraw/zinc/38/44/28/1018384428.db2.gz HJEZBFDMMPAVLB-SKDRFNHKSA-N -1 0 322.383 -0.642 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC001604450384 1018384068 /nfs/dbraw/zinc/38/40/68/1018384068.db2.gz HJEZBFDMMPAVLB-CABZTGNLSA-N -1 0 322.383 -0.642 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1cccc(N2C(=O)CNC2=O)c1 ZINC001604441880 1018384151 /nfs/dbraw/zinc/38/41/51/1018384151.db2.gz RFXJSVMEFKNIGM-SNVBAGLBSA-N -1 0 307.262 -0.219 20 0 DBADRM CCO[C@H]1CCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001604441370 1018384194 /nfs/dbraw/zinc/38/41/94/1018384194.db2.gz ZRIWOTSOLFAZDY-VIFPVBQESA-N -1 0 321.345 -0.721 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)OC[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001604461349 1018384271 /nfs/dbraw/zinc/38/42/71/1018384271.db2.gz IDNZGOQGZHPLTF-JOYOIKCWSA-N -1 0 323.367 -0.309 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001604459776 1018384761 /nfs/dbraw/zinc/38/47/61/1018384761.db2.gz ULUQXDHXXORMEY-BWZBUEFSSA-N -1 0 300.340 -0.658 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCc1ccc(S(C)(=O)=O)nc1 ZINC001604462661 1018384799 /nfs/dbraw/zinc/38/47/99/1018384799.db2.gz GFIXCLFQZDHXCE-LBPRGKRZSA-N -1 0 316.335 -0.409 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC001604455570 1018385029 /nfs/dbraw/zinc/38/50/29/1018385029.db2.gz XAYOLPYVXLYOBS-ZDUSSCGKSA-N -1 0 312.301 -0.246 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC001604441514 1018385262 /nfs/dbraw/zinc/38/52/62/1018385262.db2.gz ODRKBHSUSPUOGM-SNVBAGLBSA-N -1 0 316.335 -0.025 20 0 DBADRM C[C@H](c1nc(N)nc(N(C)C)n1)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001604479616 1018386230 /nfs/dbraw/zinc/38/62/30/1018386230.db2.gz WGYADCVZXNCKOQ-IWSPIJDZSA-N -1 0 310.358 -0.652 20 0 DBADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC(NS(N)(=O)=O)CC1 ZINC001604476746 1018386413 /nfs/dbraw/zinc/38/64/13/1018386413.db2.gz FKAXBGDTUMCIKB-ZETCQYMHSA-N -1 0 318.355 -0.309 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCc1ccnc(-n2cncn2)c1 ZINC001604462729 1018387858 /nfs/dbraw/zinc/38/78/58/1018387858.db2.gz HZBIKZINVVTNNP-ZDUSSCGKSA-N -1 0 305.294 -0.232 20 0 DBADRM CO[C@@]1(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])CCS(=O)(=O)C1 ZINC001604481873 1018388095 /nfs/dbraw/zinc/38/80/95/1018388095.db2.gz YZPYHKORNCLYRF-SBMIAAHKSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(CCO)CC(F)F)C1 ZINC001604489847 1018389021 /nfs/dbraw/zinc/38/90/21/1018389021.db2.gz KUZABWAYUFGZJT-CYBMUJFWSA-N -1 0 322.308 -0.214 20 0 DBADRM C[C@]1(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CCCO1 ZINC001604486523 1018389073 /nfs/dbraw/zinc/38/90/73/1018389073.db2.gz XTRAADGDFFMSCK-HUUCEWRRSA-N -1 0 312.366 -0.057 20 0 DBADRM C[C@@]1(C(=O)NC[C@]2(C(=O)[O-])CCOC2)CCCS1(=O)=O ZINC001604486997 1018389092 /nfs/dbraw/zinc/38/90/92/1018389092.db2.gz PMMBPBLGEZEYFM-NWDGAFQWSA-N -1 0 305.352 -0.439 20 0 DBADRM CO[C@@]1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001604487193 1018389134 /nfs/dbraw/zinc/38/91/34/1018389134.db2.gz IGYYQMKLIGYTJP-OPQQBVKSSA-N -1 0 319.379 -0.193 20 0 DBADRM C[C@@]1(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CCC(=O)NC1 ZINC001604485104 1018389711 /nfs/dbraw/zinc/38/97/11/1018389711.db2.gz YXKYDVKSOHCTIJ-CYBMUJFWSA-N -1 0 307.310 -0.724 20 0 DBADRM C[C@]1(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CCNC(=O)C1 ZINC001604484878 1018390377 /nfs/dbraw/zinc/39/03/77/1018390377.db2.gz VFKVABDPAFVTQO-KBPBESRZSA-N -1 0 309.322 -0.265 20 0 DBADRM CC1(C(=O)N[C@@H]2CN(c3ncc(C(=O)[O-])cn3)C[C@H]2O)CC1 ZINC001604487714 1018390514 /nfs/dbraw/zinc/39/05/14/1018390514.db2.gz HYHFTJBVENSZKE-NXEZZACHSA-N -1 0 306.322 -0.359 20 0 DBADRM C[C@]1(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CCNC1=O ZINC001604485865 1018390734 /nfs/dbraw/zinc/39/07/34/1018390734.db2.gz PHSGTTGTJSUREH-SDBXPKJASA-N -1 0 300.311 -0.765 20 0 DBADRM CC1(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CCOCC1 ZINC001604486147 1018391027 /nfs/dbraw/zinc/39/10/27/1018391027.db2.gz DAJPGEYIZJUWFN-QWRGUYRKSA-N -1 0 310.350 -0.149 20 0 DBADRM CO[C@]1(Cn2nnnc2N2CCC[C@@H](C(=O)[O-])C2)CCOC1 ZINC001604491666 1018391982 /nfs/dbraw/zinc/39/19/82/1018391982.db2.gz IKURJAQXMZOLNF-MFKMUULPSA-N -1 0 311.342 -0.220 20 0 DBADRM COC1(c2nccn2C)CN(C(=O)c2cc(C(=O)[O-])nn2C)C1 ZINC001604491739 1018392316 /nfs/dbraw/zinc/39/23/16/1018392316.db2.gz MDGLNNMSJFYXTP-UHFFFAOYSA-N -1 0 319.321 -0.151 20 0 DBADRM CO[C@@H]1CCC[C@H]1Cn1nnnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001604501270 1018392464 /nfs/dbraw/zinc/39/24/64/1018392464.db2.gz UWIXPVUCGYKVIO-AXFHLTTASA-N -1 0 311.342 -0.222 20 0 DBADRM COC1(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CCOCC1 ZINC001604491986 1018392590 /nfs/dbraw/zinc/39/25/90/1018392590.db2.gz UEMFEBBDGJHMSY-JTQLQIEISA-N -1 0 323.367 -0.703 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C(C)C ZINC001604514446 1018394329 /nfs/dbraw/zinc/39/43/29/1018394329.db2.gz GISLNMNEQNQYMH-GHMZBOCLSA-N -1 0 316.354 -0.667 20 0 DBADRM CO[C@H]1COCC[C@H]1CC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001604505250 1018394474 /nfs/dbraw/zinc/39/44/74/1018394474.db2.gz SOKLOUMUZUYOFZ-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)[C@@H]1CCCOC1 ZINC001604516147 1018394816 /nfs/dbraw/zinc/39/48/16/1018394816.db2.gz BZBCTGAVJNLPRB-MIMYLULJSA-N -1 0 300.311 -0.226 20 0 DBADRM COC[C@@H](Cn1cncn1)OC(=O)c1cnc(C(=O)[O-])cn1 ZINC001604516188 1018394899 /nfs/dbraw/zinc/39/48/99/1018394899.db2.gz GBQVKZHDTYOAAL-MRVPVSSYSA-N -1 0 307.266 -0.362 20 0 DBADRM COC[C@H](Cn1cncn1)OC(=O)c1cnc(C(=O)[O-])cn1 ZINC001604516189 1018395290 /nfs/dbraw/zinc/39/52/90/1018395290.db2.gz GBQVKZHDTYOAAL-QMMMGPOBSA-N -1 0 307.266 -0.362 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C(C)C ZINC001604514450 1018395766 /nfs/dbraw/zinc/39/57/66/1018395766.db2.gz GISLNMNEQNQYMH-QWRGUYRKSA-N -1 0 316.354 -0.667 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)Cn2cncn2)C1 ZINC001604526018 1018396753 /nfs/dbraw/zinc/39/67/53/1018396753.db2.gz DVBCLLPDXBYDGY-MFKMUULPSA-N -1 0 311.342 -0.201 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCCOCC(=O)OC)C1 ZINC001604532769 1018396957 /nfs/dbraw/zinc/39/69/57/1018396957.db2.gz FNMVQANOLHSWQY-ZDUSSCGKSA-N -1 0 318.326 -0.691 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H](CO)NC(=O)C(C)C)C1 ZINC001604533870 1018397328 /nfs/dbraw/zinc/39/73/28/1018397328.db2.gz NANMTUKLTGALBC-HZMBPMFUSA-N -1 0 316.354 -0.931 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCn2cccc2)C1 ZINC001604522739 1018397397 /nfs/dbraw/zinc/39/73/97/1018397397.db2.gz FSHINWULFXVQTB-HNNXBMFYSA-N -1 0 323.349 -0.446 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@]2(C)CCCS2(=O)=O)C1 ZINC001604522951 1018398007 /nfs/dbraw/zinc/39/80/07/1018398007.db2.gz IHSLDHCAMPKYAP-STQMWFEESA-N -1 0 319.379 -0.097 20 0 DBADRM CC1(C)CCCN1C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604535856 1018398089 /nfs/dbraw/zinc/39/80/89/1018398089.db2.gz CKKWMBIDRBAJGR-UHFFFAOYSA-N -1 0 313.354 -0.515 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CO[C@H]2CCOC2)CCO1 ZINC001604551000 1018399863 /nfs/dbraw/zinc/39/98/63/1018399863.db2.gz NFLGJPUXYOJWON-GWCFXTLKSA-N -1 0 303.311 -0.880 20 0 DBADRM CC1(C)CS(=O)(=O)CCN1Cc1cn(CC(=O)[O-])nn1 ZINC001604552768 1018399906 /nfs/dbraw/zinc/39/99/06/1018399906.db2.gz BSMZHAUYQCIWEZ-UHFFFAOYSA-N -1 0 302.356 -0.628 20 0 DBADRM CC1(C)COC[C@H]1NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604552527 1018400336 /nfs/dbraw/zinc/40/03/36/1018400336.db2.gz HALYOYKDTNCDKD-SECBINFHSA-N -1 0 301.343 -0.308 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H](C)NC(=O)OC)CCO1 ZINC001604558010 1018401209 /nfs/dbraw/zinc/40/12/09/1018401209.db2.gz SMSYNQZGOCGXHV-UFBFGSQYSA-N -1 0 304.299 -0.941 20 0 DBADRM CC1(C)SC[C@@H]1NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001604560826 1018401449 /nfs/dbraw/zinc/40/14/49/1018401449.db2.gz LPYQCOCIAHMJOM-BDAKNGLRSA-N -1 0 316.379 -0.301 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2c[nH]c(C)cc2=O)CCO1 ZINC001604558533 1018401808 /nfs/dbraw/zinc/40/18/08/1018401808.db2.gz XKXWJYLUEBJQFZ-AWEZNQCLSA-N -1 0 310.306 -0.374 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)O1 ZINC001604560633 1018402168 /nfs/dbraw/zinc/40/21/68/1018402168.db2.gz TZOCMHOTUQCHCT-GUBZILKMSA-N -1 0 302.327 -0.385 20 0 DBADRM CC1(C)SC[C@@H]1NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001604560828 1018402208 /nfs/dbraw/zinc/40/22/08/1018402208.db2.gz LPYQCOCIAHMJOM-IUCAKERBSA-N -1 0 316.379 -0.301 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN([C@H]2CCN(C3CCC3)C2=O)CCO1 ZINC001604557794 1018402227 /nfs/dbraw/zinc/40/22/27/1018402227.db2.gz JLVCDGNPJJADFT-SWLSCSKDSA-N -1 0 312.366 -0.058 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cn3cccnc3n2)CCO1 ZINC001604557133 1018402249 /nfs/dbraw/zinc/40/22/49/1018402249.db2.gz DWMRAVJHGZWCSG-AWEZNQCLSA-N -1 0 320.305 -0.329 20 0 DBADRM CC1(C)OC[C@H](/C=C\C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])O1 ZINC001604562392 1018402510 /nfs/dbraw/zinc/40/25/10/1018402510.db2.gz TVVMWXRCTKBFFC-CMIOBCHKSA-N -1 0 310.310 -0.445 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)O1 ZINC001604560075 1018402606 /nfs/dbraw/zinc/40/26/06/1018402606.db2.gz NOKVIBLXBKJHSJ-VHSXEESVSA-N -1 0 314.338 -0.423 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H]2C[C@@H](C(=O)OC)C2)CCO1 ZINC001604556702 1018402733 /nfs/dbraw/zinc/40/27/33/1018402733.db2.gz GFWHYZYHPWKPOX-RBZYPMLTSA-N -1 0 315.322 -0.486 20 0 DBADRM CC1(C)OC[C@H](CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])O1 ZINC001604560305 1018402767 /nfs/dbraw/zinc/40/27/67/1018402767.db2.gz QPRLFKZUNWZVIV-ZJUUUORDSA-N -1 0 307.368 -0.288 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)O1 ZINC001604560635 1018402955 /nfs/dbraw/zinc/40/29/55/1018402955.db2.gz TZOCMHOTUQCHCT-UTLUCORTSA-N -1 0 302.327 -0.385 20 0 DBADRM C[C@@]1(CC(=O)N2CCSC[C@@H]2C(=O)[O-])CCS(=O)(=O)N1 ZINC001604569176 1018404412 /nfs/dbraw/zinc/40/44/12/1018404412.db2.gz RNBHQVPVRLCVCK-KCJUWKMLSA-N -1 0 322.408 -0.513 20 0 DBADRM COCC1(C2CC2)CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC001604567051 1018404478 /nfs/dbraw/zinc/40/44/78/1018404478.db2.gz PTQYEQYWFYPQEX-JTQLQIEISA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@]1(CN2C(=O)[C@@H]3CC[C@@H](C(=O)[O-])CN3C2=O)CCC(=O)N1 ZINC001604571496 1018404491 /nfs/dbraw/zinc/40/44/91/1018404491.db2.gz NCIMAWYBXZJAPD-TVLCNXBWSA-N -1 0 309.322 -0.218 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1=O ZINC001604566269 1018404623 /nfs/dbraw/zinc/40/46/23/1018404623.db2.gz TYHYNWZEPVOURZ-BONVTDFDSA-N -1 0 321.333 -0.004 20 0 DBADRM C[C@]1(CC(=O)N2CCSC[C@@H]2C(=O)[O-])CCS(=O)(=O)N1 ZINC001604569178 1018404832 /nfs/dbraw/zinc/40/48/32/1018404832.db2.gz RNBHQVPVRLCVCK-LDYMZIIASA-N -1 0 322.408 -0.513 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2nc(OC)cc(OC)n2)CCO1 ZINC001604565010 1018404869 /nfs/dbraw/zinc/40/48/69/1018404869.db2.gz PNTCQIUIATVHAU-CYBMUJFWSA-N -1 0 313.310 -0.200 20 0 DBADRM COC[C@@H]1CCCN1NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604566970 1018405043 /nfs/dbraw/zinc/40/50/43/1018405043.db2.gz FOGSXDUYOCTKJR-WDEREUQCSA-N -1 0 313.354 -0.548 20 0 DBADRM COCC1(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCOCC1 ZINC001604566811 1018405209 /nfs/dbraw/zinc/40/52/09/1018405209.db2.gz HEZXRBJUUZYQHD-JTQLQIEISA-N -1 0 300.311 -0.225 20 0 DBADRM C[C@]1(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])CCS(=O)(=O)N1 ZINC001604568314 1018405519 /nfs/dbraw/zinc/40/55/19/1018405519.db2.gz BAQZCKRYTODJGD-JOYOIKCWSA-N -1 0 320.367 -0.840 20 0 DBADRM COCC1(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCOCC1 ZINC001604566812 1018405570 /nfs/dbraw/zinc/40/55/70/1018405570.db2.gz HEZXRBJUUZYQHD-SNVBAGLBSA-N -1 0 300.311 -0.225 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1=O ZINC001604566271 1018405581 /nfs/dbraw/zinc/40/55/81/1018405581.db2.gz TYHYNWZEPVOURZ-ZUZCIYMTSA-N -1 0 321.333 -0.004 20 0 DBADRM COCCN([C@H]1CCOC1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001604584371 1018406234 /nfs/dbraw/zinc/40/62/34/1018406234.db2.gz PEBZLWHXAFBQEG-QWRGUYRKSA-N -1 0 322.383 -0.483 20 0 DBADRM C[C@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCC(=O)N1 ZINC001604580302 1018406331 /nfs/dbraw/zinc/40/63/31/1018406331.db2.gz LQWGCHQKSYUYSM-SNVBAGLBSA-N -1 0 303.296 -0.680 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)CCCS1 ZINC001604575645 1018406425 /nfs/dbraw/zinc/40/64/25/1018406425.db2.gz OTJRCBPIZWXVSI-LLVKDONJSA-N -1 0 302.352 -0.954 20 0 DBADRM CC1(CO)CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001604582767 1018407303 /nfs/dbraw/zinc/40/73/03/1018407303.db2.gz KURMFVPKZNEXJA-MNOVXSKESA-N -1 0 312.366 -0.023 20 0 DBADRM COCCN([C@@H]1CCOC1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001604584369 1018407681 /nfs/dbraw/zinc/40/76/81/1018407681.db2.gz PEBZLWHXAFBQEG-MNOVXSKESA-N -1 0 322.383 -0.483 20 0 DBADRM C[C@]1(CCC(=O)NCCn2cc(C(=O)[O-])nn2)CCC(=O)N1 ZINC001604573121 1018408041 /nfs/dbraw/zinc/40/80/41/1018408041.db2.gz ZKRZFLDUYXCWRE-ZDUSSCGKSA-N -1 0 309.326 -0.459 20 0 DBADRM COCCN(C[C@H](O)C(F)(F)F)C(=O)[C@@H](OC)C(=O)[O-] ZINC001604597805 1018409297 /nfs/dbraw/zinc/40/92/97/1018409297.db2.gz NEFBIIQXWTVRTN-NKWVEPMBSA-N -1 0 303.233 -0.516 20 0 DBADRM C[C@@]1(NS(=O)(=O)c2csnc2C(=O)[O-])CCOC1=O ZINC001604596614 1018409406 /nfs/dbraw/zinc/40/94/06/1018409406.db2.gz RTWYBQFUQYZWKO-SECBINFHSA-N -1 0 306.321 -0.175 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)C1=CN(C)S(=O)(=O)N=C1C ZINC001604584477 1018409615 /nfs/dbraw/zinc/40/96/15/1018409615.db2.gz RKLFCOBKJXYZNL-UHFFFAOYSA-N -1 0 319.339 -0.919 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@@H]1[C@@H](C)O ZINC001604597808 1018409828 /nfs/dbraw/zinc/40/98/28/1018409828.db2.gz NIVYRWBOCQBNBT-GHMZBOCLSA-N -1 0 316.354 -0.692 20 0 DBADRM CC1=C(C(=O)NCCOCC(=O)[O-])[C@H](C)n2nnnc2N1C ZINC001604608083 1018411463 /nfs/dbraw/zinc/41/14/63/1018411463.db2.gz UYXJGZBINQLLKP-QMMMGPOBSA-N -1 0 310.314 -0.825 20 0 DBADRM CC1=C(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)S(=O)(=O)CCO1 ZINC001604608145 1018411693 /nfs/dbraw/zinc/41/16/93/1018411693.db2.gz XVIGIFBMTQDGDB-VIFPVBQESA-N -1 0 301.320 -0.048 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001604599840 1018412015 /nfs/dbraw/zinc/41/20/15/1018412015.db2.gz FRJMZEOXMYBAEI-JTQLQIEISA-N -1 0 322.383 -0.446 20 0 DBADRM CC1=C(C(=O)NC[C@@](C)(O)C(=O)[O-])[C@@H](C)n2ncnc2N1C ZINC001604607648 1018412160 /nfs/dbraw/zinc/41/21/60/1018412160.db2.gz KHBAFOWSUABFKR-AMIZOPFISA-N -1 0 309.326 -0.485 20 0 DBADRM CC1(c2nccc(NC(=O)NCC(=O)NCC(=O)[O-])n2)CC1 ZINC001604603532 1018412245 /nfs/dbraw/zinc/41/22/45/1018412245.db2.gz LYGHQZFAUYXMHP-UHFFFAOYSA-N -1 0 307.310 -0.150 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2CCO[C@H]2C)c1=O ZINC001604601430 1018412460 /nfs/dbraw/zinc/41/24/60/1018412460.db2.gz USSOSTRPXNCAQZ-IUCAKERBSA-N -1 0 306.326 -0.365 20 0 DBADRM COCCNC(=O)C1(NC(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC001604612747 1018414888 /nfs/dbraw/zinc/41/48/88/1018414888.db2.gz REMAUJAEVJFUGW-UHFFFAOYSA-N -1 0 307.306 -0.195 20 0 DBADRM CC1=C(C(=O)[O-])C[C@H](Cn2cc(CN3CCNC(=O)C3)nn2)O1 ZINC001604613942 1018415051 /nfs/dbraw/zinc/41/50/51/1018415051.db2.gz SLKDXRDUPLWRPY-LLVKDONJSA-N -1 0 321.337 -0.643 20 0 DBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001604617350 1018415351 /nfs/dbraw/zinc/41/53/51/1018415351.db2.gz BZVQZMXNCATTLV-QJPTWQEYSA-N -1 0 316.354 -0.077 20 0 DBADRM COCCO[C@H]1CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001604611690 1018415845 /nfs/dbraw/zinc/41/58/45/1018415845.db2.gz JGERUVJFGNXPOP-NSHDSACASA-N -1 0 309.384 -0.387 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC001604624975 1018417099 /nfs/dbraw/zinc/41/70/99/1018417099.db2.gz UCIUMXGUXGCJHP-JRPNMDOOSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCc1ccnn1C ZINC001604625710 1018417455 /nfs/dbraw/zinc/41/74/55/1018417455.db2.gz IVTDLAKILKYXRN-KOLCDFICSA-N -1 0 308.338 -0.600 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCC[C@@](C)(CO)C1 ZINC001604621738 1018417774 /nfs/dbraw/zinc/41/77/74/1018417774.db2.gz BAHKZNGKFNGUND-JRPNMDOOSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NC[C@@H]1COC(C)(C)O1 ZINC001604625368 1018417901 /nfs/dbraw/zinc/41/79/01/1018417901.db2.gz GDPCCDNWYXDPFM-BBBLOLIVSA-N -1 0 314.338 -0.424 20 0 DBADRM COCc1cc(C(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)no1 ZINC001604640956 1018420628 /nfs/dbraw/zinc/42/06/28/1018420628.db2.gz WWYVHAIWTRAVGW-ZDUSSCGKSA-N -1 0 314.294 -0.237 20 0 DBADRM C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001604642687 1018421004 /nfs/dbraw/zinc/42/10/04/1018421004.db2.gz BRHFPRUQBBDIMQ-QTAHKJALSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=S)NCCN1CCOCC1 ZINC001604638303 1018421199 /nfs/dbraw/zinc/42/11/99/1018421199.db2.gz WRZUNWOWDILPNE-QWRGUYRKSA-N -1 0 301.412 -0.012 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1nccn1S(=O)(=O)N(C)C ZINC001604636043 1018421290 /nfs/dbraw/zinc/42/12/90/1018421290.db2.gz FFGJOMWYYDIFEI-UWVGGRQHSA-N -1 0 316.383 -0.167 20 0 DBADRM CON(C(=O)Cc1ccc(S(N)(=O)=O)cc1)[C@@H](C)C(=O)[O-] ZINC001604657951 1018423270 /nfs/dbraw/zinc/42/32/70/1018423270.db2.gz UHKXSVDDTRXXNC-QMMMGPOBSA-N -1 0 316.335 -0.260 20 0 DBADRM C[C@H]1CC(CNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C[C@H](C)C1 ZINC001604657238 1018423392 /nfs/dbraw/zinc/42/33/92/1018423392.db2.gz WOUUGCVNVYRPFH-NXEZZACHSA-N -1 0 312.366 -0.167 20 0 DBADRM COCc1nc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cs1 ZINC001604648748 1018423400 /nfs/dbraw/zinc/42/34/00/1018423400.db2.gz QAJFCQJGBKANJM-VIFPVBQESA-N -1 0 320.392 -0.027 20 0 DBADRM C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001604661704 1018423421 /nfs/dbraw/zinc/42/34/21/1018423421.db2.gz CAUZUTVWNAKJAK-KXNHARMFSA-N -1 0 312.366 -0.167 20 0 DBADRM CON(C(=O)c1cnc2c(c1)NC(=O)CN2C)[C@@H](C)C(=O)[O-] ZINC001604660886 1018423541 /nfs/dbraw/zinc/42/35/41/1018423541.db2.gz JPJXZRYWDASEEV-ZETCQYMHSA-N -1 0 308.294 -0.053 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C)C(=O)[O-] ZINC001604675497 1018427535 /nfs/dbraw/zinc/42/75/35/1018427535.db2.gz DXQRWHIRIXZZIQ-SOYHJAILSA-N -1 0 301.343 -0.171 20 0 DBADRM C[C@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccn2)C(=O)O1 ZINC001604678329 1018428134 /nfs/dbraw/zinc/42/81/34/1018428134.db2.gz YQRNCJDIQUGQQZ-XPUUQOCRSA-N -1 0 300.292 -0.238 20 0 DBADRM C[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)CN1C(=O)c1nc[nH]n1 ZINC001604679182 1018428596 /nfs/dbraw/zinc/42/85/96/1018428596.db2.gz QCNFKMKWXHSFEZ-JGVFFNPUSA-N -1 0 317.309 -0.570 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](N2C(=O)N[C@H](CCC(=O)[O-])C2=O)CC1=O ZINC001604689136 1018430207 /nfs/dbraw/zinc/43/02/07/1018430207.db2.gz UKXUXFNZOFKAGP-RGOKHQFPSA-N -1 0 309.322 -0.219 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1=O ZINC001604689103 1018430558 /nfs/dbraw/zinc/43/05/58/1018430558.db2.gz UDZJKKMSHFDEBI-MGLZNHIESA-N -1 0 307.350 -0.032 20 0 DBADRM COc1cc(-c2noc(CN[C@]3(C(=O)[O-])CCOC3)n2)ncn1 ZINC001604680021 1018431715 /nfs/dbraw/zinc/43/17/15/1018431715.db2.gz HEXIAQDOQLTMHP-CYBMUJFWSA-N -1 0 321.293 -0.132 20 0 DBADRM COc1cc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)ccn1 ZINC001604709175 1018433386 /nfs/dbraw/zinc/43/33/86/1018433386.db2.gz CMFCSJSZGXZUIN-JTQLQIEISA-N -1 0 307.306 -0.361 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001604739508 1018435573 /nfs/dbraw/zinc/43/55/73/1018435573.db2.gz BXWCGYSAULVNRG-ZJUUUORDSA-N -1 0 321.337 -0.382 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)[nH]n1 ZINC001604722652 1018436361 /nfs/dbraw/zinc/43/63/61/1018436361.db2.gz ZLXJMNIWXFTIEQ-MRVPVSSYSA-N -1 0 310.310 -0.026 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])[C@@H]1CCO ZINC001604734797 1018436499 /nfs/dbraw/zinc/43/64/99/1018436499.db2.gz YLSLUWDUTPYSJT-IRCOFANPSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@](C)(C(=O)[O-])C2)[C@@H]1CO ZINC001604739848 1018436792 /nfs/dbraw/zinc/43/67/92/1018436792.db2.gz HJWSRYUCVAYDJR-HFAKWTLXSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@@H]2CCN=C3C2=NNN3C)[C@@H](C(=O)[O-])C1 ZINC001604743145 1018437267 /nfs/dbraw/zinc/43/72/67/1018437267.db2.gz HXLWKUOPHBUYMF-OPRDCNLKSA-N -1 0 307.354 -0.078 20 0 DBADRM C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1CNc1ccnc(C(=O)[O-])n1 ZINC001604733633 1018437295 /nfs/dbraw/zinc/43/72/95/1018437295.db2.gz DKMJBBNQBFEVPE-IUCAKERBSA-N -1 0 321.337 -0.879 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001604758412 1018439363 /nfs/dbraw/zinc/43/93/63/1018439363.db2.gz AOUMAGKVEQMONF-IONNQARKSA-N -1 0 313.335 -0.417 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001604761253 1018442723 /nfs/dbraw/zinc/44/27/23/1018442723.db2.gz TYZOHIJPGSJJDU-KCJUWKMLSA-N -1 0 319.317 -0.036 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCC(=O)NCCC(=O)[O-])C[C@H]1C ZINC001604766770 1018442751 /nfs/dbraw/zinc/44/27/51/1018442751.db2.gz BEAMTCSHMKPZAS-AOOOYVTPSA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCO1 ZINC001604770754 1018444610 /nfs/dbraw/zinc/44/46/10/1018444610.db2.gz WDXXQUHEBMJNQP-GHMZBOCLSA-N -1 0 323.353 -0.530 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H](C)C1O ZINC001604769244 1018444697 /nfs/dbraw/zinc/44/46/97/1018444697.db2.gz SJWCCBXCJVXBFD-XWLWVQCSSA-N -1 0 312.366 -0.217 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])[C@@H](C)CO1 ZINC001604769203 1018445178 /nfs/dbraw/zinc/44/51/78/1018445178.db2.gz PMFDLWYGXUFEGF-UKKRHICBSA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001604772460 1018445243 /nfs/dbraw/zinc/44/52/43/1018445243.db2.gz XMXHRUYFIGVGEB-IONNQARKSA-N -1 0 307.310 -0.691 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001604785978 1018446984 /nfs/dbraw/zinc/44/69/84/1018446984.db2.gz JKKZFFXRIJHNKV-ZETCQYMHSA-N -1 0 302.308 -0.171 20 0 DBADRM C[C@@H]1CN([C@@H]2CCN(CCC(=O)[O-])C2=O)C[C@]2(CCOC2)O1 ZINC001604785250 1018447795 /nfs/dbraw/zinc/44/77/95/1018447795.db2.gz FYHIOSNNHAXGBT-JMSVASOKSA-N -1 0 312.366 -0.058 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)O[C@H]1C(=O)[O-] ZINC001604779855 1018447970 /nfs/dbraw/zinc/44/79/70/1018447970.db2.gz SUHFBCPMPNBXEM-KAMPLNKDSA-N -1 0 319.379 -0.101 20 0 DBADRM C[C@H]1CN(C(=O)c2cc3n(n2)CCO3)CCN1CCC(=O)[O-] ZINC001604780656 1018447990 /nfs/dbraw/zinc/44/79/90/1018447990.db2.gz HVIQUXRWRAACPS-JTQLQIEISA-N -1 0 308.338 -0.104 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC[S@@](=O)C[C@@H](C)C1)C(=O)[O-] ZINC001604786649 1018448385 /nfs/dbraw/zinc/44/83/85/1018448385.db2.gz WBKNYCNHHZTFGW-GXUQNELRSA-N -1 0 304.412 -0.088 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCC[S@@](C)=O ZINC001604791569 1018450588 /nfs/dbraw/zinc/45/05/88/1018450588.db2.gz ZAMWWEMCXWMJDW-WSVYEEACSA-N -1 0 319.427 -0.055 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCC[S@@](C)=O ZINC001604791568 1018452097 /nfs/dbraw/zinc/45/20/97/1018452097.db2.gz ZAMWWEMCXWMJDW-WIUDPPPLSA-N -1 0 319.427 -0.055 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)c1c[nH]cn1 ZINC001604795632 1018452853 /nfs/dbraw/zinc/45/28/53/1018452853.db2.gz YQDIARLQECNNOA-VIFPVBQESA-N -1 0 302.356 -0.421 20 0 DBADRM C[C@@H]1CN(CCNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)[C@@H](C)CO1 ZINC001604797648 1018452987 /nfs/dbraw/zinc/45/29/87/1018452987.db2.gz YXLPQZIYRLOWJR-WHOHXGKFSA-N -1 0 320.411 -0.122 20 0 DBADRM C[C@@H]1CN(CC[S@](C)=O)[C@@H](C(=O)[O-])CN1CC[S@](C)=O ZINC001604798644 1018453436 /nfs/dbraw/zinc/45/34/36/1018453436.db2.gz WGFNSVPCHKWTFD-HPUVFHFKSA-N -1 0 324.468 -0.797 20 0 DBADRM C[C@H]1CN(CCO)CCN1C(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001604795779 1018453670 /nfs/dbraw/zinc/45/36/70/1018453670.db2.gz FKXKYMGJRCAVQF-VIFPVBQESA-N -1 0 309.326 -0.295 20 0 DBADRM C[C@@H]1CN(CCNS(=O)(=O)CC2(C(=O)[O-])CCC2)CCO1 ZINC001604795628 1018453757 /nfs/dbraw/zinc/45/37/57/1018453757.db2.gz CNKFQHBYVPCBEQ-LLVKDONJSA-N -1 0 320.411 -0.119 20 0 DBADRM COc1ccc(F)c(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001604806207 1018453954 /nfs/dbraw/zinc/45/39/54/1018453954.db2.gz KOOQWMNWYNNXCS-ZDUSSCGKSA-N -1 0 314.269 -0.275 20 0 DBADRM C[C@H]1CN(Cn2nc(C(=O)[O-])ccc2=O)C[C@]2(CCOC2)O1 ZINC001604802577 1018454015 /nfs/dbraw/zinc/45/40/15/1018454015.db2.gz HNBTXDJUBJESNQ-HZMBPMFUSA-N -1 0 309.322 -0.221 20 0 DBADRM C[C@@H](CS(=O)(=O)NCCN1C[C@@H](C)OC[C@H]1C)C(=O)[O-] ZINC001604796630 1018454305 /nfs/dbraw/zinc/45/43/05/1018454305.db2.gz QMUHWRMUSLWOHB-HBNTYKKESA-N -1 0 308.400 -0.264 20 0 DBADRM C[C@H]1CN(CCNC(=O)NCCOCC(=O)[O-])[C@@H](C)CO1 ZINC001604797364 1018454424 /nfs/dbraw/zinc/45/44/24/1018454424.db2.gz VSLZYFJEYLSNSK-QWRGUYRKSA-N -1 0 303.359 -0.504 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1C(=O)COCc1ocnc1C(=O)[O-] ZINC001604816756 1018455895 /nfs/dbraw/zinc/45/58/95/1018455895.db2.gz JEQYLVYGDPWYED-IUCAKERBSA-N -1 0 314.294 -0.502 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cnn2c1NC[C@@H](C)C2)C(=O)[O-] ZINC001604816136 1018456596 /nfs/dbraw/zinc/45/65/96/1018456596.db2.gz ZHLNZNSKOFMUHW-VGMNWLOBSA-N -1 0 323.353 -0.348 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001604816672 1018456605 /nfs/dbraw/zinc/45/66/05/1018456605.db2.gz HOWGVOSHSFCHRD-IUCAKERBSA-N -1 0 323.305 -0.674 20 0 DBADRM C[C@H]1COCC[C@H]1CNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001604820301 1018456699 /nfs/dbraw/zinc/45/66/99/1018456699.db2.gz YICHEJQMKSBESL-UWVGGRQHSA-N -1 0 311.342 -0.052 20 0 DBADRM CN(Cc1cn(C)nn1)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604821930 1018457127 /nfs/dbraw/zinc/45/71/27/1018457127.db2.gz QNIYLVLPDBFQSY-UHFFFAOYSA-N -1 0 324.326 -0.591 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc3n(n2)C[C@H](C)NC3)C[C@@H](C(=O)[O-])O1 ZINC001604827872 1018458000 /nfs/dbraw/zinc/45/80/00/1018458000.db2.gz NTPXTGRNYPWXNS-SBMIAAHKSA-N -1 0 308.338 -0.311 20 0 DBADRM C[C@@H]1NC(=O)N(c2ccc(CC(=O)NCC(=O)[O-])cc2)C1=O ZINC001604833428 1018458331 /nfs/dbraw/zinc/45/83/31/1018458331.db2.gz XFFQDNPHQGIXJI-QMMMGPOBSA-N -1 0 305.290 -0.125 20 0 DBADRM C[C@H]1OCC[C@H]1S(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001604834546 1018458380 /nfs/dbraw/zinc/45/83/80/1018458380.db2.gz LPBGOQGZPNUCAC-GMSGAONNSA-N -1 0 316.339 -0.660 20 0 DBADRM C[C@H]1OCC[C@@]12CN(C(=O)Cn1ccc(C(=O)[O-])n1)CCO2 ZINC001604832655 1018458713 /nfs/dbraw/zinc/45/87/13/1018458713.db2.gz DPVRNBOBEYIGTF-QMTHXVAHSA-N -1 0 309.322 -0.012 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001604823474 1018458890 /nfs/dbraw/zinc/45/88/90/1018458890.db2.gz QQAMUTCWNGOQOY-QMMMGPOBSA-N -1 0 301.324 -0.773 20 0 DBADRM C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)C1CC(=O)C1 ZINC001604838405 1018462090 /nfs/dbraw/zinc/46/20/90/1018462090.db2.gz JWZGWNBVUPXUHB-OIBJUYFYSA-N -1 0 314.363 -0.154 20 0 DBADRM C/C=C/C[C@@H](CO)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001604850773 1018466617 /nfs/dbraw/zinc/46/66/17/1018466617.db2.gz HHJOXZMRCOVAEJ-CBEQDWNCSA-N -1 0 301.343 -0.410 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1 ZINC001604859041 1018467680 /nfs/dbraw/zinc/46/76/80/1018467680.db2.gz CSWJHCNZRHSVRQ-VWYCJHECSA-N -1 0 313.354 -0.526 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604860161 1018468893 /nfs/dbraw/zinc/46/88/93/1018468893.db2.gz SDVLGJBKPZDCOA-IUCAKERBSA-N -1 0 323.353 -0.572 20 0 DBADRM COc1cccc(C[C@H](O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC001604862949 1018469123 /nfs/dbraw/zinc/46/91/23/1018469123.db2.gz JFUDGVINNAKIHB-QWHCGFSZSA-N -1 0 309.318 -0.089 20 0 DBADRM CC[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-])N(C)C ZINC001604868365 1018471960 /nfs/dbraw/zinc/47/19/60/1018471960.db2.gz HWDYUPUJZAJQSX-NXEZZACHSA-N -1 0 306.384 -0.573 20 0 DBADRM CC[C@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])N1CCCC1=O ZINC001604868355 1018472032 /nfs/dbraw/zinc/47/20/32/1018472032.db2.gz HRNRJTKQEJTVHD-VHSXEESVSA-N -1 0 309.326 -0.752 20 0 DBADRM CC[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-])N(C)C ZINC001604868369 1018473411 /nfs/dbraw/zinc/47/34/11/1018473411.db2.gz HWDYUPUJZAJQSX-VHSXEESVSA-N -1 0 306.384 -0.573 20 0 DBADRM CNC(=O)c1cccnc1NCCn1cnc(-c2nnn[n-]2)n1 ZINC001604891323 1018477848 /nfs/dbraw/zinc/47/78/48/1018477848.db2.gz ZKCVIDPKTXOLKI-UHFFFAOYSA-N -1 0 314.313 -0.675 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001604913745 1018483340 /nfs/dbraw/zinc/48/33/40/1018483340.db2.gz GCDLRJKDCMGXHT-QWRGUYRKSA-N -1 0 318.395 -0.429 20 0 DBADRM CS(=O)(=O)CCN1CCC(NC(=O)CCC(=O)[O-])CC1 ZINC001604920017 1018487729 /nfs/dbraw/zinc/48/77/29/1018487729.db2.gz IGYFSPOVYVGHOL-UHFFFAOYSA-N -1 0 306.384 -0.524 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCC(CO)(CO)C1)C(=O)[O-] ZINC001604929160 1018489571 /nfs/dbraw/zinc/48/95/71/1018489571.db2.gz SFDIIHCEHMSPIN-CMPLNLGQSA-N -1 0 302.371 -0.721 20 0 DBADRM COC(=O)CCNC(=O)Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001604938598 1018491915 /nfs/dbraw/zinc/49/19/15/1018491915.db2.gz QFKQTJYBZFAYHY-UHFFFAOYSA-N -1 0 320.309 -0.984 20 0 DBADRM CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)C(=O)[O-])c1 ZINC001604932278 1018492224 /nfs/dbraw/zinc/49/22/24/1018492224.db2.gz TXQHMTVJGCXYGC-UHFFFAOYSA-N -1 0 301.276 -0.131 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1[C@@H](CO)CC[C@@H]1CO)C(=O)[O-] ZINC001604931655 1018493015 /nfs/dbraw/zinc/49/30/15/1018493015.db2.gz JZYUEZACFGGTGM-PRULPYPASA-N -1 0 302.371 -0.581 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1[C@@H](CO)CC[C@@H]1CO)C(=O)[O-] ZINC001604931659 1018494030 /nfs/dbraw/zinc/49/40/30/1018494030.db2.gz JZYUEZACFGGTGM-SBFPOUOMSA-N -1 0 302.371 -0.581 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCO[C@@H](CC(N)=O)C1)C(=O)[O-] ZINC001604932675 1018494047 /nfs/dbraw/zinc/49/40/47/1018494047.db2.gz PAZCQHKYWUNPMB-KWBADKCTSA-N -1 0 315.370 -0.822 20 0 DBADRM C[C@H](C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC001500862851 1018495060 /nfs/dbraw/zinc/49/50/60/1018495060.db2.gz LJCDWXQIRZNSHV-VIFPVBQESA-N -1 0 309.370 -0.391 20 0 DBADRM C[S@](=O)CCCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001604944509 1018496600 /nfs/dbraw/zinc/49/66/00/1018496600.db2.gz XUDDJDSPCOKALT-FQEVSTJZSA-N -1 0 300.336 -0.569 20 0 DBADRM CC[C@H](C)OCC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001604965775 1018499511 /nfs/dbraw/zinc/49/95/11/1018499511.db2.gz JSNMWPZNEHRNPI-VIFPVBQESA-N -1 0 307.368 -0.050 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001604963449 1018499771 /nfs/dbraw/zinc/49/97/71/1018499771.db2.gz ONKPYTGUNISPHK-ASCAZGACSA-N -1 0 315.417 -0.009 20 0 DBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)COCC(=O)[O-])CC1 ZINC001604968458 1018499946 /nfs/dbraw/zinc/49/99/46/1018499946.db2.gz NCYUNRPXRWHGGJ-LLVKDONJSA-N -1 0 315.370 -0.854 20 0 DBADRM COC(=O)c1cnoc1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001604989569 1018502432 /nfs/dbraw/zinc/50/24/32/1018502432.db2.gz HIYXWDHQSZIAOM-UHFFFAOYSA-N -1 0 302.250 -0.149 20 0 DBADRM COC(C)(C)[C@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604995029 1018503243 /nfs/dbraw/zinc/50/32/43/1018503243.db2.gz AZEUTDURYNYLTC-YUMQZZPRSA-N -1 0 308.346 -0.051 20 0 DBADRM C[C@@H]1COCCN1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605012048 1018504687 /nfs/dbraw/zinc/50/46/87/1018504687.db2.gz PIMUXRJVUXVBHR-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM CCC(CC)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001605011810 1018504928 /nfs/dbraw/zinc/50/49/28/1018504928.db2.gz URIUMZBCMHVFRE-GHMZBOCLSA-N -1 0 312.366 -0.167 20 0 DBADRM CCC(CC)(NC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001605010248 1018505513 /nfs/dbraw/zinc/50/55/13/1018505513.db2.gz LJJYYMJYRMMQLZ-UHFFFAOYSA-N -1 0 318.355 -0.710 20 0 DBADRM CO[C@H](C)C(=O)N[C@H](C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001605000255 1018506166 /nfs/dbraw/zinc/50/61/66/1018506166.db2.gz VJLQTJMPIMAPDG-RKDXNWHRSA-N -1 0 320.357 -0.580 20 0 DBADRM CO[C@@H](Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O)[C@H]1CCOC1 ZINC001605011556 1018507131 /nfs/dbraw/zinc/50/71/31/1018507131.db2.gz DUEHKFOPAQDQOF-CBAPKCEASA-N -1 0 308.298 -0.820 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001605018511 1018509224 /nfs/dbraw/zinc/50/92/24/1018509224.db2.gz LCCRHBKJZXEZDZ-PSLIRLAXSA-N -1 0 323.349 -0.953 20 0 DBADRM CO[C@@H]1CN(C(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)CCO1 ZINC001605031918 1018510493 /nfs/dbraw/zinc/51/04/93/1018510493.db2.gz GYOKHXVAVMMHPF-VIFPVBQESA-N -1 0 320.309 -0.279 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001500913559 1018511903 /nfs/dbraw/zinc/51/19/03/1018511903.db2.gz QOSMHIPPSVSCHY-CIUDSAMLSA-N -1 0 323.353 -0.191 20 0 DBADRM CC[C@H](CNC(=O)c1cn[nH]n1)Nc1ccnc(C(=O)[O-])n1 ZINC001605035858 1018512286 /nfs/dbraw/zinc/51/22/86/1018512286.db2.gz UYYPGGKRLVVVFI-SSDOTTSWSA-N -1 0 305.298 -0.665 20 0 DBADRM C[C@H]1CCC[C@H](C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001500911999 1018512336 /nfs/dbraw/zinc/51/23/36/1018512336.db2.gz FFJHOQJNABOONR-QWRGUYRKSA-N -1 0 323.397 -0.001 20 0 DBADRM CC[C@@H](CNC(=O)c1cn[nH]n1)Nc1ccnc(C(=O)[O-])n1 ZINC001605035859 1018513424 /nfs/dbraw/zinc/51/34/24/1018513424.db2.gz UYYPGGKRLVVVFI-ZETCQYMHSA-N -1 0 305.298 -0.665 20 0 DBADRM CC[C@@H](CNC(=O)c1cnn(C)n1)Nc1ccnc(C(=O)[O-])n1 ZINC001605039004 1018514575 /nfs/dbraw/zinc/51/45/75/1018514575.db2.gz DHVVSXWVFSQLAX-QMMMGPOBSA-N -1 0 319.325 -0.654 20 0 DBADRM C[C@H](NC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001605041956 1018515430 /nfs/dbraw/zinc/51/54/30/1018515430.db2.gz OJBQGRUIGLGIBP-QMMMGPOBSA-N -1 0 302.327 -0.052 20 0 DBADRM CC[C@H](CNC(=O)c1ccnc2c(C(N)=O)cnn21)C(=O)[O-] ZINC001605039693 1018515836 /nfs/dbraw/zinc/51/58/36/1018515836.db2.gz YJWYTVMWUOYOIG-SSDOTTSWSA-N -1 0 305.294 -0.331 20 0 DBADRM CCC(CO)(CO)NC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001605043094 1018516227 /nfs/dbraw/zinc/51/62/27/1018516227.db2.gz NABXLIQJKDUOTR-UHFFFAOYSA-N -1 0 314.342 -0.042 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001605041361 1018517059 /nfs/dbraw/zinc/51/70/59/1018517059.db2.gz HGYGZZZSWWFDEU-IMSYWVGJSA-N -1 0 319.383 -0.714 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001605041308 1018517539 /nfs/dbraw/zinc/51/75/39/1018517539.db2.gz DRALAIDTGQPWJU-VHSXEESVSA-N -1 0 319.383 -0.213 20 0 DBADRM COC[C@H](C)C(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001605045368 1018517706 /nfs/dbraw/zinc/51/77/06/1018517706.db2.gz QDIVISPVLLTHEX-VIFPVBQESA-N -1 0 320.357 -0.769 20 0 DBADRM CC[C@](COC)(NC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)[O-] ZINC001605050779 1018518132 /nfs/dbraw/zinc/51/81/32/1018518132.db2.gz XTHBYGLIXHZGRM-CYBMUJFWSA-N -1 0 315.326 -0.687 20 0 DBADRM CC[C@H](CO)NC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001605046905 1018518258 /nfs/dbraw/zinc/51/82/58/1018518258.db2.gz SCASMZSUIOVEFI-SSDOTTSWSA-N -1 0 324.289 -0.061 20 0 DBADRM CC[C@@](COC)(NC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)[O-] ZINC001605050780 1018518398 /nfs/dbraw/zinc/51/83/98/1018518398.db2.gz XTHBYGLIXHZGRM-ZDUSSCGKSA-N -1 0 315.326 -0.687 20 0 DBADRM C[C@@H]1CN(CCN(C)CCS(=O)(=O)CC(=O)[O-])C[C@H](C)O1 ZINC001605062754 1018522194 /nfs/dbraw/zinc/52/21/94/1018522194.db2.gz GDCOKPBLLPOMFP-TXEJJXNPSA-N -1 0 322.427 -0.473 20 0 DBADRM COC[C@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001605072990 1018522261 /nfs/dbraw/zinc/52/22/61/1018522261.db2.gz RWZDNBVZBOTCQM-VIFPVBQESA-N -1 0 306.330 -0.657 20 0 DBADRM Cc1c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cnn1C ZINC001605077354 1018522712 /nfs/dbraw/zinc/52/27/12/1018522712.db2.gz SYSLYUCDOPGWKL-SECBINFHSA-N -1 0 301.324 -0.948 20 0 DBADRM COCC[C@H]1COCCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001605083349 1018523737 /nfs/dbraw/zinc/52/37/37/1018523737.db2.gz HBMSRJXALMXSDG-NSHDSACASA-N -1 0 320.353 -0.277 20 0 DBADRM CC[C@H](NC(=O)NC/C=C(/C)C(=O)[O-])C(=O)N1CCOCC1 ZINC001605077884 1018524670 /nfs/dbraw/zinc/52/46/70/1018524670.db2.gz WECJEOJJPYBCKX-FGUAACIASA-N -1 0 313.354 -0.046 20 0 DBADRM COCCC(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001605074762 1018524740 /nfs/dbraw/zinc/52/47/40/1018524740.db2.gz PIRCIYUHGCDXTM-UHFFFAOYSA-N -1 0 318.341 -0.824 20 0 DBADRM CC[C@@](NC(=O)Cn1nnc(N)n1)(C(=O)[O-])c1ccccc1 ZINC001605085245 1018524884 /nfs/dbraw/zinc/52/48/84/1018524884.db2.gz OIGCNRSMTVIFDG-ZDUSSCGKSA-N -1 0 304.310 -0.238 20 0 DBADRM CC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@H](O)C(F)F ZINC001605099220 1018529252 /nfs/dbraw/zinc/52/92/52/1018529252.db2.gz OCXYRGMSBRMAIX-XPUUQOCRSA-N -1 0 304.315 -0.368 20 0 DBADRM COCCN(Cn1cccc(-c2nnn[n-]2)c1=O)[C@H]1CCOC1 ZINC001605102946 1018529563 /nfs/dbraw/zinc/52/95/63/1018529563.db2.gz GWVBHEZTNDLRNB-NSHDSACASA-N -1 0 320.353 -0.277 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)nn1 ZINC001605115058 1018531425 /nfs/dbraw/zinc/53/14/25/1018531425.db2.gz XGNXDLPKPXTIBZ-RNCFNFMXSA-N -1 0 312.326 -0.587 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)nn1 ZINC001605114717 1018532651 /nfs/dbraw/zinc/53/26/51/1018532651.db2.gz UOWPIIFZGFIEMK-PELKAZGASA-N -1 0 314.367 -0.261 20 0 DBADRM CC[C@H](O)[C@H](C)C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001605111426 1018533615 /nfs/dbraw/zinc/53/36/15/1018533615.db2.gz KABGKJAWPUYSKZ-IUCAKERBSA-N -1 0 307.368 -0.458 20 0 DBADRM CCC1(CC)CN([C@H](C)C(=O)NCC(=O)[O-])CCS1(=O)=O ZINC001605139032 1018535183 /nfs/dbraw/zinc/53/51/83/1018535183.db2.gz VDZJMSQSAVISKH-SNVBAGLBSA-N -1 0 320.411 -0.135 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)NCCOCC(=O)[O-])C1=O ZINC001605140862 1018535368 /nfs/dbraw/zinc/53/53/68/1018535368.db2.gz PICOTPIYVXCHCX-UHFFFAOYSA-N -1 0 315.326 -0.686 20 0 DBADRM CCC1(CC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)COC1 ZINC001605134905 1018535478 /nfs/dbraw/zinc/53/54/78/1018535478.db2.gz GJBYXEKXXKSDTO-UHFFFAOYSA-N -1 0 319.379 -0.049 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001605271679 1018553894 /nfs/dbraw/zinc/55/38/94/1018553894.db2.gz BNYSRBDCUGKKKF-MNOVXSKESA-N -1 0 321.395 -0.115 20 0 DBADRM CC[C@@H]1C(=O)NCCN1Cn1nc(C(=O)[O-])cc1C(=O)OC ZINC001605151774 1018540694 /nfs/dbraw/zinc/54/06/94/1018540694.db2.gz WUYMIPWKPVBITN-SECBINFHSA-N -1 0 310.310 -0.464 20 0 DBADRM CN(CCN(C)C(=O)C1CCC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001500981551 1018540691 /nfs/dbraw/zinc/54/06/91/1018540691.db2.gz UBTPKWCPNBJYKG-UHFFFAOYSA-N -1 0 311.342 -0.594 20 0 DBADRM CC[C@@]1(COC)NC(=O)N(CCC(=O)NCCC(=O)[O-])C1=O ZINC001605145521 1018540727 /nfs/dbraw/zinc/54/07/27/1018540727.db2.gz NNNNCMNMVWWETH-ZDUSSCGKSA-N -1 0 315.326 -0.686 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C[C@H](CC)O1 ZINC001605171663 1018542521 /nfs/dbraw/zinc/54/25/21/1018542521.db2.gz VYGKEXMSKFUWFW-UWVGGRQHSA-N -1 0 314.338 -0.940 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)[nH]n1 ZINC001605172489 1018542824 /nfs/dbraw/zinc/54/28/24/1018542824.db2.gz JPVJTVAQGRJETR-KWQFWETISA-N -1 0 308.338 -0.096 20 0 DBADRM CC[C@H](C(=O)NC[C@@H](O)CC(=O)[O-])N1CCO[C@H](CC)C1 ZINC001605171828 1018543704 /nfs/dbraw/zinc/54/37/04/1018543704.db2.gz BMFCTMUSNOTFTE-QJPTWQEYSA-N -1 0 302.371 -0.172 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)[nH]n1 ZINC001605172488 1018543785 /nfs/dbraw/zinc/54/37/85/1018543785.db2.gz JPVJTVAQGRJETR-KCJUWKMLSA-N -1 0 308.338 -0.096 20 0 DBADRM CC[C@@H]1CCCN1C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001605166643 1018544300 /nfs/dbraw/zinc/54/43/00/1018544300.db2.gz PVLSZXJJLHTBKM-SNVBAGLBSA-N -1 0 313.354 -0.515 20 0 DBADRM CCC[C@H](C(=O)N1CCSC[C@H]1C(=O)[O-])S(N)(=O)=O ZINC001605192403 1018544772 /nfs/dbraw/zinc/54/47/72/1018544772.db2.gz MEBYCPGLLYFOEV-JGVFFNPUSA-N -1 0 310.397 -0.528 20 0 DBADRM CCC[C@@H](C(=O)N1CCSC[C@@H]1C(=O)[O-])S(N)(=O)=O ZINC001605192404 1018545266 /nfs/dbraw/zinc/54/52/66/1018545266.db2.gz MEBYCPGLLYFOEV-SFYZADRCSA-N -1 0 310.397 -0.528 20 0 DBADRM CCC[C@@H](C)C(=O)NCCNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001605206833 1018547269 /nfs/dbraw/zinc/54/72/69/1018547269.db2.gz YQAGWWAIMRWPBP-SECBINFHSA-N -1 0 311.342 -0.355 20 0 DBADRM Cc1cc(NC(=O)c2cccn(CC(=O)[O-])c2=O)nc(O)n1 ZINC001605211929 1018547979 /nfs/dbraw/zinc/54/79/79/1018547979.db2.gz LUVSWQZSCSSBSH-UHFFFAOYSA-N -1 0 304.262 -0.011 20 0 DBADRM CCC/C=C\[C@@H](O)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001605229733 1018549344 /nfs/dbraw/zinc/54/93/44/1018549344.db2.gz MBFDYFMQIAUKBE-OGKMEYJUSA-N -1 0 319.379 -0.292 20 0 DBADRM CCC[C@@H]1CN(C(=O)CC(=O)[O-])CCN1C(=O)CC(=O)OC ZINC001605227350 1018549478 /nfs/dbraw/zinc/54/94/78/1018549478.db2.gz WPPKUWNPZSZGGK-SNVBAGLBSA-N -1 0 314.338 -0.136 20 0 DBADRM CCC[C@@H](O)[C@H](CO)NC(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001605217720 1018549897 /nfs/dbraw/zinc/54/98/97/1018549897.db2.gz MWDPIBYXMUUHGO-DTWKUNHWSA-N -1 0 300.315 -0.238 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001605245829 1018550036 /nfs/dbraw/zinc/55/00/36/1018550036.db2.gz KWMDVMSFXZPYJQ-TVQRCGJNSA-N -1 0 301.343 -0.084 20 0 DBADRM CCC[C@@H](O)[C@@H](CO)NC(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001605217722 1018550472 /nfs/dbraw/zinc/55/04/72/1018550472.db2.gz MWDPIBYXMUUHGO-RKDXNWHRSA-N -1 0 300.315 -0.238 20 0 DBADRM CCC/C=C\[C@H](O)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001605229731 1018550830 /nfs/dbraw/zinc/55/08/30/1018550830.db2.gz MBFDYFMQIAUKBE-JCUVFOFXSA-N -1 0 319.379 -0.292 20 0 DBADRM CCCC[C@@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001605242277 1018551362 /nfs/dbraw/zinc/55/13/62/1018551362.db2.gz YGPWGHUYYVUUJE-WDEREUQCSA-N -1 0 320.411 -0.135 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)nn1 ZINC001605250591 1018551756 /nfs/dbraw/zinc/55/17/56/1018551756.db2.gz ZCLZHTWBGBRISL-LLVKDONJSA-N -1 0 306.322 -0.019 20 0 DBADRM CCCCn1nnnc1CN1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605295833 1018553399 /nfs/dbraw/zinc/55/33/99/1018553399.db2.gz HAIKAZCHOQQMSK-NXEZZACHSA-N -1 0 311.342 -0.221 20 0 DBADRM COc1coc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)cc1=O ZINC001605342561 1018557513 /nfs/dbraw/zinc/55/75/13/1018557513.db2.gz GFDVJOREKOPOFN-UHFFFAOYSA-N -1 0 318.249 -0.861 20 0 DBADRM CCCNC(=O)CCC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001605326440 1018557637 /nfs/dbraw/zinc/55/76/37/1018557637.db2.gz FMCLXSXFNFVZTE-ZJUUUORDSA-N -1 0 314.338 -0.375 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001605345805 1018558106 /nfs/dbraw/zinc/55/81/06/1018558106.db2.gz TYKSPHLXYORYDM-QMMMGPOBSA-N -1 0 309.340 -0.856 20 0 DBADRM Cc1ccc2c(c1)nnn([C@H]1CCN(CC(=O)[O-])C1=O)c2=O ZINC001605310275 1018557859 /nfs/dbraw/zinc/55/78/59/1018557859.db2.gz ZDTKIKDCXWLYNC-NSHDSACASA-N -1 0 302.290 -0.042 20 0 DBADRM CCCN1C[C@H](C(=O)N[C@@H](CC(=O)OC)C(=O)[O-])CC1=O ZINC001605323259 1018558179 /nfs/dbraw/zinc/55/81/79/1018558179.db2.gz ZUKGVMPMEMJESM-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM Cc1ccc2c(c1)nnn([C@@H]1CCN(CC(=O)[O-])C1=O)c2=O ZINC001605310274 1018558975 /nfs/dbraw/zinc/55/89/75/1018558975.db2.gz ZDTKIKDCXWLYNC-LLVKDONJSA-N -1 0 302.290 -0.042 20 0 DBADRM CCCNS(=O)(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001605334265 1018559490 /nfs/dbraw/zinc/55/94/90/1018559490.db2.gz USDDGRRWOVSOFD-MRVPVSSYSA-N -1 0 303.344 -0.533 20 0 DBADRM CS(=O)(=O)[C@H]1CCC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001605353114 1018562050 /nfs/dbraw/zinc/56/20/50/1018562050.db2.gz ZPADLVIUUIDIRX-IUCAKERBSA-N -1 0 323.382 -0.154 20 0 DBADRM CCC[C@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)C(N)=O ZINC001605360729 1018565971 /nfs/dbraw/zinc/56/59/71/1018565971.db2.gz ALGKGOLTOMVYSC-VIFPVBQESA-N -1 0 301.324 -0.288 20 0 DBADRM Cc1nc(C(=O)N2CCC[C@H](C(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001605398150 1018570965 /nfs/dbraw/zinc/57/09/65/1018570965.db2.gz ASBIZXWTBGRTCH-QMMMGPOBSA-N -1 0 305.298 -0.369 20 0 DBADRM Cc1nc(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001605398214 1018572193 /nfs/dbraw/zinc/57/21/93/1018572193.db2.gz FMCHHAZEMXJRII-CBAPKCEASA-N -1 0 319.325 -0.123 20 0 DBADRM CCN(C(=O)CNC(=O)N1CC(O)(C(=O)[O-])C1)c1ccccc1 ZINC001605395469 1018572241 /nfs/dbraw/zinc/57/22/41/1018572241.db2.gz BLNQIBLQIJBPCL-UHFFFAOYSA-N -1 0 321.333 -0.120 20 0 DBADRM CCCn1nccc1NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001605391016 1018572607 /nfs/dbraw/zinc/57/26/07/1018572607.db2.gz RSAVGJUXUVVSJR-JTQLQIEISA-N -1 0 324.337 -0.066 20 0 DBADRM CCN([C@@H]1CCNC1=O)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001605411695 1018573726 /nfs/dbraw/zinc/57/37/26/1018573726.db2.gz XQUIBLDZVAKSGG-SSDOTTSWSA-N -1 0 316.339 -0.685 20 0 DBADRM C[C@@H]1CC[C@H](O)CN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001605409885 1018573793 /nfs/dbraw/zinc/57/37/93/1018573793.db2.gz CPTOXRZBZUFQHH-BDAKNGLRSA-N -1 0 324.366 -0.204 20 0 DBADRM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001501095173 1018574745 /nfs/dbraw/zinc/57/47/45/1018574745.db2.gz JJJYMUPKQRPPDG-MRVPVSSYSA-N -1 0 323.353 -0.141 20 0 DBADRM CCN(C)C(=O)CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001605406808 1018575673 /nfs/dbraw/zinc/57/56/73/1018575673.db2.gz MCSKEUUMZQCLPD-UHFFFAOYSA-N -1 0 307.353 -0.402 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)c2ncc[nH]2)c1[O-] ZINC001501114548 1018575960 /nfs/dbraw/zinc/57/59/60/1018575960.db2.gz PWNSGRSRWBOKQH-UHFFFAOYSA-N -1 0 306.326 -0.009 20 0 DBADRM Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001605416569 1018576031 /nfs/dbraw/zinc/57/60/31/1018576031.db2.gz QVNCGTDWYNQIEJ-HNNXBMFYSA-N -1 0 319.317 -0.343 20 0 DBADRM CCN(C(=O)c1cn(CC(=O)N(C)C)nn1)C(C)(C)C(=O)[O-] ZINC001605402844 1018576190 /nfs/dbraw/zinc/57/61/90/1018576190.db2.gz FNRKQSYXZYFTNU-UHFFFAOYSA-N -1 0 311.342 -0.308 20 0 DBADRM Cc1nc(CN2CCN(C(=O)[C@@]3(C(=O)[O-])CCCO3)CC2)no1 ZINC001605403621 1018576633 /nfs/dbraw/zinc/57/66/33/1018576633.db2.gz NNTDPLUCNPYBSE-CQSZACIVSA-N -1 0 324.337 -0.344 20 0 DBADRM Cc1n[nH]nc1C(=O)N(C)CCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001501114786 1018576685 /nfs/dbraw/zinc/57/66/85/1018576685.db2.gz QYRNCJPGHHODRD-UHFFFAOYSA-N -1 0 321.341 -0.306 20 0 DBADRM Cc1nc(NC(=O)CCCC(=O)[O-])c(C(=O)NCCO)n1C ZINC001605409010 1018576994 /nfs/dbraw/zinc/57/69/94/1018576994.db2.gz ZPIYCUARGDDHRU-UHFFFAOYSA-N -1 0 312.326 -0.356 20 0 DBADRM CCN(CC(=O)OC)C(=O)/C=C(\C)C(=O)N(CC)CC(=O)[O-] ZINC001605417535 1018577402 /nfs/dbraw/zinc/57/74/02/1018577402.db2.gz YTMRPOHLGQCQNC-JXMROGBWSA-N -1 0 314.338 -0.113 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC/C=C\CNc1ccnc(-c2nnn[n-]2)n1 ZINC001605426229 1018579191 /nfs/dbraw/zinc/57/91/91/1018579191.db2.gz AKZVCFCQHSYDAM-JAFKPYBISA-N -1 0 314.353 -0.181 20 0 DBADRM Cc1nc[nH]c(=O)c1CCC(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001605421531 1018580234 /nfs/dbraw/zinc/58/02/34/1018580234.db2.gz XXQJBJZXVIIMFA-JTQLQIEISA-N -1 0 323.305 -0.348 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)s1 ZINC001605440150 1018580893 /nfs/dbraw/zinc/58/08/93/1018580893.db2.gz BOIQOUFKOHYMTA-UHFFFAOYSA-N -1 0 324.322 -0.617 20 0 DBADRM Cc1nn(C)c(C)c1CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001605433306 1018582187 /nfs/dbraw/zinc/58/21/87/1018582187.db2.gz DTTOPSRRBZGGSV-LLVKDONJSA-N -1 0 322.365 -0.024 20 0 DBADRM CCN(CC)S(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001605432825 1018583514 /nfs/dbraw/zinc/58/35/14/1018583514.db2.gz XMMIMECHWWSZJK-SECBINFHSA-N -1 0 307.372 -0.762 20 0 DBADRM Cc1ncoc1CNC(=O)NCCOCCOCC(=O)[O-] ZINC001605429081 1018583591 /nfs/dbraw/zinc/58/35/91/1018583591.db2.gz UDFIIOBECFNDTE-UHFFFAOYSA-N -1 0 301.299 -0.100 20 0 DBADRM CCN(CCC(=O)NCC(=O)[O-])[C@H](C)CS(=O)(=O)CC ZINC001605438780 1018584205 /nfs/dbraw/zinc/58/42/05/1018584205.db2.gz OFJHQYRELMVSBX-SNVBAGLBSA-N -1 0 308.400 -0.278 20 0 DBADRM Cc1noc(CCCNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001605448671 1018585701 /nfs/dbraw/zinc/58/57/01/1018585701.db2.gz HQPANVADOHBYFX-JTQLQIEISA-N -1 0 324.337 -0.250 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC001605441526 1018585853 /nfs/dbraw/zinc/58/58/53/1018585853.db2.gz GZSCWQBCVMCDSR-VIFPVBQESA-N -1 0 307.372 -0.775 20 0 DBADRM Cc1nn2cccnc2c1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001605441250 1018585888 /nfs/dbraw/zinc/58/58/88/1018585888.db2.gz XFDHCZROMSHGHP-SECBINFHSA-N -1 0 318.289 -0.120 20 0 DBADRM Cc1nnc(CN(C)C(=O)C(=O)NC[C@@H](C)C(=O)[O-])s1 ZINC001605440657 1018586408 /nfs/dbraw/zinc/58/64/08/1018586408.db2.gz KLJANEMANNYPHT-ZCFIWIBFSA-N -1 0 300.340 -0.358 20 0 DBADRM CCN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1cnnn1C ZINC001605448206 1018586867 /nfs/dbraw/zinc/58/68/67/1018586867.db2.gz WLTKZECGUJKOLX-UHFFFAOYSA-N -1 0 319.325 -0.701 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)CC2 ZINC001605444629 1018586890 /nfs/dbraw/zinc/58/68/90/1018586890.db2.gz MXWGLGRMCJEHSK-FIXISWKDSA-N -1 0 320.349 -0.291 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)N(C)CC(=O)[O-] ZINC001605448642 1018587789 /nfs/dbraw/zinc/58/77/89/1018587789.db2.gz DOXUJYRCQPABIB-UHFFFAOYSA-N -1 0 305.312 -0.887 20 0 DBADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CC(C(=O)[O-])C1 ZINC001605455002 1018590705 /nfs/dbraw/zinc/59/07/05/1018590705.db2.gz RNGPQBPFHDPYKL-UHFFFAOYSA-N -1 0 302.308 -0.300 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(C[C@H]2CCOC2)c(=O)n1C1CC1 ZINC001605463129 1018592106 /nfs/dbraw/zinc/59/21/06/1018592106.db2.gz QLMFCLNIRMHSQU-SECBINFHSA-N -1 0 318.337 -0.130 20 0 DBADRM CCN1C(=O)[C@@H]2CN(c3cncc(C(=O)[O-])n3)CCN2C1=O ZINC001605464244 1018593506 /nfs/dbraw/zinc/59/35/06/1018593506.db2.gz CTYJBEMHESBPOI-VIFPVBQESA-N -1 0 305.294 -0.353 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)c3c[nH]c(C(=O)[O-])c3)CCN2C1=O ZINC001605464981 1018593741 /nfs/dbraw/zinc/59/37/41/1018593741.db2.gz RJCLYPZDPZJWJT-SNVBAGLBSA-N -1 0 320.305 -0.179 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1=O ZINC001605470267 1018594234 /nfs/dbraw/zinc/59/42/34/1018594234.db2.gz ABYKNKBCVQNOLY-ZJUUUORDSA-N -1 0 304.368 -0.220 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(C/C=C/Cl)c(=O)n1CCO ZINC001605462369 1018594540 /nfs/dbraw/zinc/59/45/40/1018594540.db2.gz BZRFIJMVUSUYIZ-NSCUHMNNSA-N -1 0 312.717 -0.757 20 0 DBADRM Cn1c(N2CC[C@](C)(C(=O)[O-])C2)nnc1[C@]1(C)CNC(=O)C1 ZINC001605466813 1018594956 /nfs/dbraw/zinc/59/49/56/1018594956.db2.gz YDDQVPXIKLXARX-KBPBESRZSA-N -1 0 307.354 -0.106 20 0 DBADRM Cn1cc(C(=O)NCc2ccccc2C(=O)[O-])c(=O)n(C)c1=O ZINC001605481345 1018596246 /nfs/dbraw/zinc/59/62/46/1018596246.db2.gz SUCUEDVHCRUMQH-UHFFFAOYSA-N -1 0 317.301 -0.288 20 0 DBADRM CCN1CCCN(C(=O)NCCn2cc(C(=O)[O-])nn2)CC1=O ZINC001605478960 1018598699 /nfs/dbraw/zinc/59/86/99/1018598699.db2.gz PASAQYYPFXNREH-UHFFFAOYSA-N -1 0 324.341 -0.760 20 0 DBADRM Cn1c(=O)cc(NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)n(C)c1=O ZINC001605473456 1018598838 /nfs/dbraw/zinc/59/88/38/1018598838.db2.gz RYDVKOYFGALDMU-VOZQYIJBSA-N -1 0 323.349 -0.092 20 0 DBADRM Cn1cc(C(=O)Nc2ccnc(C(=O)[O-])c2)c(=O)n(C)c1=O ZINC001605483873 1018600564 /nfs/dbraw/zinc/60/05/64/1018600564.db2.gz PIOOGKGQQZPRFD-UHFFFAOYSA-N -1 0 304.262 -0.571 20 0 DBADRM CCNC(=O)C(C)(C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001605487629 1018600690 /nfs/dbraw/zinc/60/06/90/1018600690.db2.gz XIWWGUIHSFHPGX-VIFPVBQESA-N -1 0 313.354 -0.660 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001605488053 1018600758 /nfs/dbraw/zinc/60/07/58/1018600758.db2.gz CHENLDOSSXLFEH-RKDXNWHRSA-N -1 0 306.326 -0.066 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(CCS(C)(=O)=O)C2)cn1 ZINC001605488968 1018600918 /nfs/dbraw/zinc/60/09/18/1018600918.db2.gz OUZTYZPJCPJRRQ-MNOVXSKESA-N -1 0 315.395 -0.045 20 0 DBADRM CCN1CCO[C@H](C(=O)N[C@]2(CC(=O)[O-])CCCOC2)C1 ZINC001605482710 1018601331 /nfs/dbraw/zinc/60/13/31/1018601331.db2.gz ATRSHPOKJHPQLG-FZMZJTMJSA-N -1 0 300.355 -0.153 20 0 DBADRM CCNC(=O)C(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001605487451 1018602682 /nfs/dbraw/zinc/60/26/82/1018602682.db2.gz OMGLMOAINKVVRU-UHFFFAOYSA-N -1 0 317.367 -0.084 20 0 DBADRM CCN1CCOC[C@H]1C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001605485005 1018602832 /nfs/dbraw/zinc/60/28/32/1018602832.db2.gz FDPPKIYILRWFOA-JQWIXIFHSA-N -1 0 316.354 -0.524 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC001605491207 1018603754 /nfs/dbraw/zinc/60/37/54/1018603754.db2.gz QXQNVURUDMANEJ-LLVKDONJSA-N -1 0 308.338 -0.598 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])CC1 ZINC001605535189 1018617765 /nfs/dbraw/zinc/61/77/65/1018617765.db2.gz NTMFJJOOQFBQDX-JTQLQIEISA-N -1 0 309.340 -0.773 20 0 DBADRM CCNC(=O)CCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001605490319 1018604017 /nfs/dbraw/zinc/60/40/17/1018604017.db2.gz SWSYBGBPXCCCEC-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001605490687 1018605552 /nfs/dbraw/zinc/60/55/52/1018605552.db2.gz VXFBHKUYXSSTMJ-UHFFFAOYSA-N -1 0 319.317 -0.082 20 0 DBADRM CCNC(=O)CN1CCCN(c2cncc(C(=O)[O-])n2)CC1 ZINC001605493382 1018605775 /nfs/dbraw/zinc/60/57/75/1018605775.db2.gz SZBRCMQQRXVCKK-UHFFFAOYSA-N -1 0 307.354 -0.177 20 0 DBADRM CCOC(=O)[C@@H](CC)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001605507010 1018606735 /nfs/dbraw/zinc/60/67/35/1018606735.db2.gz BXDFHNKMGWZBTP-VIFPVBQESA-N -1 0 310.310 -0.051 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001605498972 1018606890 /nfs/dbraw/zinc/60/68/90/1018606890.db2.gz MXJFGTCMWHUWRE-PTRXPTGYSA-N -1 0 319.383 -0.522 20 0 DBADRM CCNS(=O)(=O)NC1(C(=O)OC)CCC(C(=O)[O-])CC1 ZINC001605498992 1018607183 /nfs/dbraw/zinc/60/71/83/1018607183.db2.gz NVWNEBZOKBMJQJ-UHFFFAOYSA-N -1 0 308.356 -0.383 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N[C@@]3(C(=O)[O-])CCOC3)CC2=O)cn1 ZINC001605502131 1018607695 /nfs/dbraw/zinc/60/76/95/1018607695.db2.gz YIFOUMGAVHCUAG-OTYXRUKQSA-N -1 0 322.321 -0.867 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-])C(C)=O ZINC001605507569 1018608081 /nfs/dbraw/zinc/60/80/81/1018608081.db2.gz GIJDGIJHDTZVKU-FOGDFJRCSA-N -1 0 315.322 -0.419 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NC(C)(C)CC(N)=O ZINC001605506690 1018608127 /nfs/dbraw/zinc/60/81/27/1018608127.db2.gz LVNFRHXXYCKHSD-UHFFFAOYSA-N -1 0 319.325 -0.340 20 0 DBADRM CCOC(=O)[C@@H](CC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001605508974 1018608454 /nfs/dbraw/zinc/60/84/54/1018608454.db2.gz OANDFRZDZAICAB-CIUDSAMLSA-N -1 0 302.327 -0.330 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CCC[C@H](O)C1 ZINC001605507324 1018608842 /nfs/dbraw/zinc/60/88/42/1018608842.db2.gz XZYOTGXTXZNHDD-QMMMGPOBSA-N -1 0 304.310 -0.127 20 0 DBADRM CCOC(=O)[C@H](CO)NC(=O)CCc1ocnc1C(=O)[O-] ZINC001605508193 1018608991 /nfs/dbraw/zinc/60/89/91/1018608991.db2.gz HVWDNLCPMUKWCE-ZETCQYMHSA-N -1 0 300.267 -0.654 20 0 DBADRM CCOC(=O)C1(CC(=O)N[C@H](CO)C(=O)[O-])CCOCC1 ZINC001605517436 1018609820 /nfs/dbraw/zinc/60/98/20/1018609820.db2.gz LRFWIBAZJHHDCE-SECBINFHSA-N -1 0 303.311 -0.702 20 0 DBADRM Cn1ccnc1[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001605512631 1018610146 /nfs/dbraw/zinc/61/01/46/1018610146.db2.gz YCNMOVZCQXYVIE-LSJOCFKGSA-N -1 0 322.321 -0.014 20 0 DBADRM Cn1cccc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c1=O ZINC001605511268 1018610184 /nfs/dbraw/zinc/61/01/84/1018610184.db2.gz DWAYBDLWRWZCNK-NSHDSACASA-N -1 0 321.333 -0.419 20 0 DBADRM CCOC(=O)[C@@H](CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001605514161 1018610487 /nfs/dbraw/zinc/61/04/87/1018610487.db2.gz RRKVIXZHEQRDEM-SNVBAGLBSA-N -1 0 317.319 -0.413 20 0 DBADRM CCOC(=O)[C@@]1(CNC(=O)COCC(=O)[O-])CCCOC1 ZINC001605519157 1018611159 /nfs/dbraw/zinc/61/11/59/1018611159.db2.gz BFQFALDQJFKRET-CYBMUJFWSA-N -1 0 303.311 -0.436 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)NC/C=C(/C)C(=O)[O-])CCO1 ZINC001605526522 1018613100 /nfs/dbraw/zinc/61/31/00/1018613100.db2.gz MGNSRJZYFSNMPQ-ZUYFITGHSA-N -1 0 300.311 -0.009 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC001605532745 1018613114 /nfs/dbraw/zinc/61/31/14/1018613114.db2.gz IDFYATWCLNPFIL-QMMMGPOBSA-N -1 0 309.326 -0.361 20 0 DBADRM Cn1nc(C(=O)[O-])cc1-c1nc(CCS(C)(=O)=O)no1 ZINC001605533043 1018613414 /nfs/dbraw/zinc/61/34/14/1018613414.db2.gz RGITXZKGLVBXES-UHFFFAOYSA-N -1 0 300.296 -0.245 20 0 DBADRM Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)NCCCCC(=O)[O-] ZINC001605522212 1018614101 /nfs/dbraw/zinc/61/41/01/1018614101.db2.gz AOHZXVARDLATOP-SNVBAGLBSA-N -1 0 323.353 -0.150 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)NC/C=C(/C)C(=O)[O-])CCO1 ZINC001605526517 1018614117 /nfs/dbraw/zinc/61/41/17/1018614117.db2.gz MGNSRJZYFSNMPQ-FWAPLPHYSA-N -1 0 300.311 -0.009 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001605532197 1018614582 /nfs/dbraw/zinc/61/45/82/1018614582.db2.gz DOOIVEUXVWGFMY-TVQRCGJNSA-N -1 0 313.310 -0.843 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC(C)(C)CS(C)(=O)=O ZINC001605533437 1018614993 /nfs/dbraw/zinc/61/49/93/1018614993.db2.gz DCHRWZRGONQMHB-UHFFFAOYSA-N -1 0 303.340 -0.329 20 0 DBADRM CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cn1cc(C(=O)[O-])nn1 ZINC001605534469 1018616103 /nfs/dbraw/zinc/61/61/03/1018616103.db2.gz BASFFTMPTLEYJP-UWVGGRQHSA-N -1 0 312.326 -0.024 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC001605538993 1018616211 /nfs/dbraw/zinc/61/62/11/1018616211.db2.gz GXLSHADOCDATSN-WDEREUQCSA-N -1 0 316.354 -0.428 20 0 DBADRM Cn1nc(C2CC2)cc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001605545016 1018616364 /nfs/dbraw/zinc/61/63/64/1018616364.db2.gz BTOSWLGYEMTWQN-UHFFFAOYSA-N -1 0 306.322 -0.334 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC001605538987 1018616653 /nfs/dbraw/zinc/61/66/53/1018616653.db2.gz GXLSHADOCDATSN-MNOVXSKESA-N -1 0 316.354 -0.428 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCc1cnc2n1CCOC2 ZINC001605539148 1018616927 /nfs/dbraw/zinc/61/69/27/1018616927.db2.gz MJTOZFPZXLPGMB-UHFFFAOYSA-N -1 0 305.294 -0.225 20 0 DBADRM Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC001605538070 1018617427 /nfs/dbraw/zinc/61/74/27/1018617427.db2.gz VPFSLZLBKDRYBI-UHFFFAOYSA-N -1 0 302.254 -0.438 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC001605536869 1018617738 /nfs/dbraw/zinc/61/77/38/1018617738.db2.gz JQPDBLXOFDFYEP-UHFFFAOYSA-N -1 0 322.383 -0.638 20 0 DBADRM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cn1cnc(C(=O)[O-])n1 ZINC001605534691 1018617767 /nfs/dbraw/zinc/61/77/67/1018617767.db2.gz FTGCFSKCVQUOOZ-VHSXEESVSA-N -1 0 312.326 -0.024 20 0 DBADRM CCOC(=O)NCCC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001605552062 1018619619 /nfs/dbraw/zinc/61/96/19/1018619619.db2.gz VKMOTNOKRNMFKB-ZDUSSCGKSA-N -1 0 313.310 -0.045 20 0 DBADRM CCOC(=O)NCCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001605551173 1018621657 /nfs/dbraw/zinc/62/16/57/1018621657.db2.gz JPVYEAGZNXMDFK-SECBINFHSA-N -1 0 315.326 -0.686 20 0 DBADRM CCOC(=O)NCCCC(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001605551749 1018621662 /nfs/dbraw/zinc/62/16/62/1018621662.db2.gz OWKSGEKOSWUAOU-VIFPVBQESA-N -1 0 313.314 -0.626 20 0 DBADRM CCOC(=O)[C@H](COC)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001605558614 1018623533 /nfs/dbraw/zinc/62/35/33/1018623533.db2.gz ZLWADEAWYHCBHV-UTLUCORTSA-N -1 0 323.367 -0.263 20 0 DBADRM CC[C@H](C)C(=O)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001501304457 1018624154 /nfs/dbraw/zinc/62/41/54/1018624154.db2.gz UTSDLDBESXCEDQ-IINYFYTJSA-N -1 0 311.386 -0.001 20 0 DBADRM CCOC(=O)c1cc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)on1 ZINC001605565465 1018624918 /nfs/dbraw/zinc/62/49/18/1018624918.db2.gz NIVROAHCFSEEAL-HTQZYQBOSA-N -1 0 312.278 -0.241 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)c1ccc2n[nH]nc2n1)C(=O)[O-] ZINC001605568318 1018625437 /nfs/dbraw/zinc/62/54/37/1018625437.db2.gz PWILEDYHADXAPL-SECBINFHSA-N -1 0 301.266 -0.358 20 0 DBADRM Cn1nccc1[C@H](NC(=O)Cc1nnc(C2CC2)[nH]1)C(=O)[O-] ZINC001605564360 1018625651 /nfs/dbraw/zinc/62/56/51/1018625651.db2.gz ZZJVSEZPUVRTPM-NSHDSACASA-N -1 0 304.310 -0.100 20 0 DBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC1(C(=O)[O-])CC1 ZINC001605577305 1018626853 /nfs/dbraw/zinc/62/68/53/1018626853.db2.gz HIPPLIPNIRWMEP-UHFFFAOYSA-N -1 0 324.293 -0.731 20 0 DBADRM CC[C@H](C)C(=O)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001501304446 1018627227 /nfs/dbraw/zinc/62/72/27/1018627227.db2.gz UTSDLDBESXCEDQ-HZMBPMFUSA-N -1 0 311.386 -0.001 20 0 DBADRM Cn1nncc1CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001605575891 1018627513 /nfs/dbraw/zinc/62/75/13/1018627513.db2.gz FPOYWVMHCZJYSZ-UHFFFAOYSA-N -1 0 304.266 -0.837 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NCCS(=O)(=O)N(C)C)n1 ZINC001605581070 1018628849 /nfs/dbraw/zinc/62/88/49/1018628849.db2.gz YBJRSCCONLQSAX-UHFFFAOYSA-N -1 0 312.359 -0.732 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NCCNC(=O)c2ccon2)n1 ZINC001605578797 1018629338 /nfs/dbraw/zinc/62/93/38/1018629338.db2.gz DOWFSLMTRIDSKF-UHFFFAOYSA-N -1 0 315.297 -0.205 20 0 DBADRM CCO[C@@H]1C[C@](NCC(=O)NC(=O)NC)(C(=O)[O-])C1(C)C ZINC001605608421 1018631221 /nfs/dbraw/zinc/63/12/21/1018631221.db2.gz PUBPLZJCCKRLAV-OQPBUACISA-N -1 0 301.343 -0.310 20 0 DBADRM CCO[C@H]1C[C@@](NCc2nc(N)nc(N)n2)(C(=O)[O-])C1(C)C ZINC001605603476 1018631449 /nfs/dbraw/zinc/63/14/49/1018631449.db2.gz IGHLFNNKRZCGMT-WPPNPWJKSA-N -1 0 310.358 -0.216 20 0 DBADRM CCO[C@@H]1C[C@](NC(=O)[C@@H]2COC(=O)N2)(C(=O)[O-])C1(C)C ZINC001605603096 1018633071 /nfs/dbraw/zinc/63/30/71/1018633071.db2.gz ABJPOXVVEXHLSJ-DAROEXNTSA-N -1 0 300.311 -0.131 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)Cn1ccc(C(=O)OC)n1 ZINC001605620708 1018635033 /nfs/dbraw/zinc/63/50/33/1018635033.db2.gz RAKGTVISLPCZTK-JTQLQIEISA-N -1 0 313.310 -0.382 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CCS(=O)(=O)N(C)C ZINC001605618431 1018635654 /nfs/dbraw/zinc/63/56/54/1018635654.db2.gz JXHRHBOVGSGJDG-VIFPVBQESA-N -1 0 310.372 -0.784 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC001605626322 1018637060 /nfs/dbraw/zinc/63/70/60/1018637060.db2.gz ZZNBIYJYFNSISX-RKDXNWHRSA-N -1 0 310.372 -0.786 20 0 DBADRM CCOC[C@H]1CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CCO1 ZINC001605626588 1018637251 /nfs/dbraw/zinc/63/72/51/1018637251.db2.gz ZDHYUMOFOJFOHZ-YPMHNXCESA-N -1 0 302.371 -0.051 20 0 DBADRM CCOC[C@@H]1CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CCO1 ZINC001605626586 1018637665 /nfs/dbraw/zinc/63/76/65/1018637665.db2.gz ZDHYUMOFOJFOHZ-AAEUAGOBSA-N -1 0 302.371 -0.051 20 0 DBADRM NC(=O)[C@H]1CCCCN1C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001605627851 1018637788 /nfs/dbraw/zinc/63/77/88/1018637788.db2.gz QLZQAXBUHVGDKH-VHSXEESVSA-N -1 0 311.338 -0.824 20 0 DBADRM CCOC[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001605626394 1018638100 /nfs/dbraw/zinc/63/81/00/1018638100.db2.gz VINTYXSHOWVTNZ-OUAUKWLOSA-N -1 0 314.338 -0.770 20 0 DBADRM NC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001605627845 1018638122 /nfs/dbraw/zinc/63/81/22/1018638122.db2.gz QLZQAXBUHVGDKH-NXEZZACHSA-N -1 0 311.338 -0.824 20 0 DBADRM NC(=O)c1cccc2c1CCN([C@H]1CCN(CC(=O)[O-])C1=O)C2 ZINC001605642930 1018639792 /nfs/dbraw/zinc/63/97/92/1018639792.db2.gz NJIVJWLNRUXFHC-ZDUSSCGKSA-N -1 0 317.345 -0.171 20 0 DBADRM CCOCCn1cc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])cn1 ZINC001605640467 1018639897 /nfs/dbraw/zinc/63/98/97/1018639897.db2.gz GXLOAJYWHALZQK-GFCCVEGCSA-N -1 0 321.337 -0.001 20 0 DBADRM NC(=O)c1ncn(CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC001605642674 1018640534 /nfs/dbraw/zinc/64/05/34/1018640534.db2.gz DMEXZILPADTWRW-SNVBAGLBSA-N -1 0 317.305 -0.811 20 0 DBADRM NC(=O)c1nccnc1N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605642817 1018641038 /nfs/dbraw/zinc/64/10/38/1018641038.db2.gz LQLHYMHAWBDYPD-QMMMGPOBSA-N -1 0 307.310 -0.547 20 0 DBADRM NC(=O)N1CCCN(C(=O)C2(CC(=O)[O-])CCOCC2)CC1 ZINC001605635022 1018641128 /nfs/dbraw/zinc/64/11/28/1018641128.db2.gz YXYVYMDSZWMQPN-UHFFFAOYSA-N -1 0 313.354 -0.129 20 0 DBADRM NC(=O)c1cc(CNC(=O)C2(C(=O)[O-])CCSCC2)on1 ZINC001605638517 1018641272 /nfs/dbraw/zinc/64/12/72/1018641272.db2.gz FKRDXZYCRKVOGT-UHFFFAOYSA-N -1 0 313.335 -0.012 20 0 DBADRM CCON(C)C(=O)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001605647031 1018642807 /nfs/dbraw/zinc/64/28/07/1018642807.db2.gz LRWAEQIVQQRNKH-UHFFFAOYSA-N -1 0 305.312 -0.599 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001605643290 1018642829 /nfs/dbraw/zinc/64/28/29/1018642829.db2.gz PBQAAPFCAIGKMT-SSDOTTSWSA-N -1 0 314.323 -0.932 20 0 DBADRM NC(=O)c1cn(CCOC(=O)c2ccc(C(=O)[O-])nc2)nn1 ZINC001605643225 1018643017 /nfs/dbraw/zinc/64/30/17/1018643017.db2.gz WUDITQJRBHUVDZ-UHFFFAOYSA-N -1 0 305.250 -0.673 20 0 DBADRM NS(=O)(=O)N1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC001605649646 1018643056 /nfs/dbraw/zinc/64/30/56/1018643056.db2.gz GKMIHBPHZUGWIZ-JTQLQIEISA-N -1 0 319.383 -0.775 20 0 DBADRM CCOCn1nc(C)c(CC(=O)NC[C@H](O)CC(=O)[O-])c1C ZINC001605646824 1018643447 /nfs/dbraw/zinc/64/34/47/1018643447.db2.gz FYZFQBPRHCAVKH-LLVKDONJSA-N -1 0 313.354 -0.012 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001605643291 1018644019 /nfs/dbraw/zinc/64/40/19/1018644019.db2.gz PBQAAPFCAIGKMT-ZETCQYMHSA-N -1 0 314.323 -0.932 20 0 DBADRM Nc1cccnc1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605655483 1018644716 /nfs/dbraw/zinc/64/47/16/1018644716.db2.gz PDOQNFSOSLNMMB-JTQLQIEISA-N -1 0 306.322 -0.141 20 0 DBADRM Nc1ccc(F)cc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001605654850 1018645902 /nfs/dbraw/zinc/64/59/02/1018645902.db2.gz UQQNDZKFYHSJMJ-SNVBAGLBSA-N -1 0 316.310 -0.268 20 0 DBADRM Nc1ncnc2c1ncn2CCNC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001605660813 1018646101 /nfs/dbraw/zinc/64/61/01/1018646101.db2.gz VZSHDGKDBSQZGN-JGVFFNPUSA-N -1 0 304.310 -0.365 20 0 DBADRM O=C(C[C@H]1CC(=O)NC1=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001605669633 1018647577 /nfs/dbraw/zinc/64/75/77/1018647577.db2.gz MGGCVGRPYHUFTF-HFXIDOFESA-N -1 0 324.333 -0.432 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCC(=O)NCc2ccccc2)C1 ZINC001605696349 1018648672 /nfs/dbraw/zinc/64/86/72/1018648672.db2.gz NFHUQFZSTSAETM-NSHDSACASA-N -1 0 305.290 -0.352 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CS(=O)(=O)C1CC1)C2 ZINC001605702758 1018648688 /nfs/dbraw/zinc/64/86/88/1018648688.db2.gz GBQVRWACJFPZNJ-PRHODGIISA-N -1 0 303.336 -0.877 20 0 DBADRM O=C([O-])C1(C(=O)OCC(=O)N2CCOCC2)CCSCC1 ZINC001605698575 1018649045 /nfs/dbraw/zinc/64/90/45/1018649045.db2.gz DTTTVZBUZZIVMC-UHFFFAOYSA-N -1 0 317.363 -0.014 20 0 DBADRM O=C([O-])c1c[nH]nc1NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC001605703098 1018649461 /nfs/dbraw/zinc/64/94/61/1018649461.db2.gz SVXGWNVXEZQOPO-LURJTMIESA-N -1 0 319.364 -0.033 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)CNC(=O)Cc2ccc(O)cc2)CCOC1 ZINC001605709428 1018650077 /nfs/dbraw/zinc/65/00/77/1018650077.db2.gz IUXPZEGLHHBZIE-OAHLLOKOSA-N -1 0 322.317 -0.589 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001605718597 1018650668 /nfs/dbraw/zinc/65/06/68/1018650668.db2.gz IYHPGLAXMSLIAY-NSHDSACASA-N -1 0 303.340 -0.723 20 0 DBADRM CCOc1ncccc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001605722104 1018652552 /nfs/dbraw/zinc/65/25/52/1018652552.db2.gz KMZXEYVGRLYVJO-MRVPVSSYSA-N -1 0 311.294 -0.629 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)O[C@H](COC)C(=O)[O-])C1 ZINC001605724999 1018652909 /nfs/dbraw/zinc/65/29/09/1018652909.db2.gz DEOBTNBCBWTXHA-VHSXEESVSA-N -1 0 323.367 -0.309 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NCc1ocnc1C(=O)[O-] ZINC001605724821 1018653133 /nfs/dbraw/zinc/65/31/33/1018653133.db2.gz HOWFXWXYKBWXLI-UHFFFAOYSA-N -1 0 305.312 -0.730 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001605725907 1018653177 /nfs/dbraw/zinc/65/31/77/1018653177.db2.gz LORHXMQDDRRHNZ-KXUCPTDWSA-N -1 0 306.384 -0.117 20 0 DBADRM CC[S@](=O)CCN1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001605734929 1018655490 /nfs/dbraw/zinc/65/54/90/1018655490.db2.gz ARIWTVWWVCPVKC-ZLVALASMSA-N -1 0 302.352 -0.118 20 0 DBADRM CC[S@@](=O)CCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001605736677 1018655549 /nfs/dbraw/zinc/65/55/49/1018655549.db2.gz PMJATELGLWKRQS-GWNMQOMSSA-N -1 0 304.368 -0.663 20 0 DBADRM O=C([O-])c1c(NC(=O)Cn2ccccc2=O)nc2n1CCOC2 ZINC001605731169 1018656333 /nfs/dbraw/zinc/65/63/33/1018656333.db2.gz OUQWBLBCIPSKLA-UHFFFAOYSA-N -1 0 318.289 -0.088 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC001605744026 1018656852 /nfs/dbraw/zinc/65/68/52/1018656852.db2.gz XSSIQZYDEKRQNS-IBDDOAPXSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)CCOC1 ZINC001605736126 1018656877 /nfs/dbraw/zinc/65/68/77/1018656877.db2.gz FGXFXFYVYFLTQO-ZANVPECISA-N -1 0 310.310 -0.712 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001605753001 1018658957 /nfs/dbraw/zinc/65/89/57/1018658957.db2.gz HKJDGCNRSGQYSV-RGOKHQFPSA-N -1 0 309.322 -0.362 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NC[C@@H]2CCCNC2=O)c1 ZINC001605769375 1018659367 /nfs/dbraw/zinc/65/93/67/1018659367.db2.gz YVAUJIKMVMBVJA-QMMMGPOBSA-N -1 0 320.305 -0.639 20 0 DBADRM CCc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])n(C)n1 ZINC001605785142 1018662799 /nfs/dbraw/zinc/66/27/99/1018662799.db2.gz LOHDUYPKUMCKHD-SNVBAGLBSA-N -1 0 308.338 -0.212 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)C(=O)N2CC=C[C@H]2CO)c1 ZINC001605800934 1018663472 /nfs/dbraw/zinc/66/34/72/1018663472.db2.gz RRRGFLLEXOJJQA-LBPRGKRZSA-N -1 0 304.302 -0.240 20 0 DBADRM CCc1n[nH]c(=O)c(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1CC ZINC001605842116 1018665727 /nfs/dbraw/zinc/66/57/27/1018665727.db2.gz CHRYVVFHZJEANB-AWEZNQCLSA-N -1 0 309.322 -0.031 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001605840114 1018666225 /nfs/dbraw/zinc/66/62/25/1018666225.db2.gz ISFVELGJEQEDTP-SSDOTTSWSA-N -1 0 306.282 -0.012 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001605861116 1018667284 /nfs/dbraw/zinc/66/72/84/1018667284.db2.gz JMSVSEIXQDKLMO-MWLCHTKSSA-N -1 0 322.321 -0.586 20 0 DBADRM CCc1nncn1CCNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605873734 1018668467 /nfs/dbraw/zinc/66/84/67/1018668467.db2.gz LXSDGXMEDVUFAL-AOOOYVTPSA-N -1 0 323.353 -0.722 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1cnsn1)C2 ZINC001605873809 1018668663 /nfs/dbraw/zinc/66/86/63/1018668663.db2.gz ODEUIRJWUQLZHH-KSBSHMNSSA-N -1 0 312.307 -0.964 20 0 DBADRM CCc1noc([C@H](C)S(=O)(=O)C[C@H](NC(C)=O)C(=O)[O-])n1 ZINC001605874553 1018669242 /nfs/dbraw/zinc/66/92/42/1018669242.db2.gz VSOHYCIIBYZBEA-XPUUQOCRSA-N -1 0 319.339 -0.303 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001605866235 1018669257 /nfs/dbraw/zinc/66/92/57/1018669257.db2.gz CALPXSWVYKZUNZ-IUCAKERBSA-N -1 0 317.367 -0.561 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2CCCN(C3CC3)C2=O)CC1 ZINC001605885417 1018669711 /nfs/dbraw/zinc/66/97/11/1018669711.db2.gz GVJMVWPVSMVFTK-LLVKDONJSA-N -1 0 323.349 -0.857 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cc2csc3nccn23)CC1 ZINC001605885607 1018670086 /nfs/dbraw/zinc/67/00/86/1018670086.db2.gz JOUMDGYIBOPUQV-UHFFFAOYSA-N -1 0 322.346 -0.306 20 0 DBADRM CCc1nncn1CCNS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001605873604 1018670317 /nfs/dbraw/zinc/67/03/17/1018670317.db2.gz IYIUEXREXPJWEA-UHFFFAOYSA-N -1 0 304.372 -0.129 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001605866233 1018670439 /nfs/dbraw/zinc/67/04/39/1018670439.db2.gz CALPXSWVYKZUNZ-BDAKNGLRSA-N -1 0 317.367 -0.561 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NN2CCCNC2=O)c1 ZINC001605871061 1018670542 /nfs/dbraw/zinc/67/05/42/1018670542.db2.gz MOEFFVYLCBJWCD-UHFFFAOYSA-N -1 0 307.266 -0.835 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21)C1CC1 ZINC001605893056 1018671357 /nfs/dbraw/zinc/67/13/57/1018671357.db2.gz LSYQWQUEJZLXRP-DCAQKATOSA-N -1 0 317.363 -0.488 20 0 DBADRM CCn1c([C@H]2CCNC(=O)C2)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001605908400 1018672114 /nfs/dbraw/zinc/67/21/14/1018672114.db2.gz WVGNYPHEOOXSEA-VHSXEESVSA-N -1 0 323.353 -0.419 20 0 DBADRM CCn1c(C[S@](C)=O)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001605905827 1018673059 /nfs/dbraw/zinc/67/30/59/1018673059.db2.gz GWOVBHLKHQGGPW-HORACTTISA-N -1 0 316.383 -0.145 20 0 DBADRM CCn1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cn1 ZINC001605915738 1018674293 /nfs/dbraw/zinc/67/42/93/1018674293.db2.gz WRBMVZZCKDWVQO-VIFPVBQESA-N -1 0 301.324 -0.773 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@H]2CC[C@H](O)C2)CCS(=O)(=O)CC1 ZINC001605924046 1018674311 /nfs/dbraw/zinc/67/43/11/1018674311.db2.gz MXSZIDDHFVCAHG-UWVGGRQHSA-N -1 0 319.379 -0.457 20 0 DBADRM CCn1cc(C(=O)C(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)cn1 ZINC001605915793 1018674433 /nfs/dbraw/zinc/67/44/33/1018674433.db2.gz ZTANGGTXFYNZJV-SNVBAGLBSA-N -1 0 305.294 -0.239 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@H]2CC[C@H](O)C2)CCS(=O)(=O)CC1 ZINC001605924048 1018674633 /nfs/dbraw/zinc/67/46/33/1018674633.db2.gz MXSZIDDHFVCAHG-ZJUUUORDSA-N -1 0 319.379 -0.457 20 0 DBADRM CCn1cc(C(=O)C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)cn1 ZINC001605915559 1018675149 /nfs/dbraw/zinc/67/51/49/1018675149.db2.gz SFNZRKYBGHGKLL-MWLCHTKSSA-N -1 0 309.322 -0.061 20 0 DBADRM CCn1cc(CC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])nn1 ZINC001605920302 1018675501 /nfs/dbraw/zinc/67/55/01/1018675501.db2.gz IFHVUHDDOFMKEA-SNVBAGLBSA-N -1 0 309.326 -0.968 20 0 DBADRM CCn1cc(Cl)c(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC001605922564 1018675654 /nfs/dbraw/zinc/67/56/54/1018675654.db2.gz VPYMQDSCSSSWFN-QMMMGPOBSA-N -1 0 314.729 -0.028 20 0 DBADRM CCn1nc(C)c(C(=O)NCCNc2ccnc(C(=O)[O-])n2)n1 ZINC001605934443 1018676565 /nfs/dbraw/zinc/67/65/65/1018676565.db2.gz KDHRDOQVTHOXKQ-UHFFFAOYSA-N -1 0 319.325 -0.642 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])c1C ZINC001605938949 1018676819 /nfs/dbraw/zinc/67/68/19/1018676819.db2.gz NYDVHDDZTMLTKU-NSHDSACASA-N -1 0 305.356 -0.366 20 0 DBADRM CCn1ccc(NC(=O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)n1 ZINC001605927601 1018676843 /nfs/dbraw/zinc/67/68/43/1018676843.db2.gz MIUDOHDZFXAUJD-CYBMUJFWSA-N -1 0 310.310 -0.409 20 0 DBADRM CCn1cccc(NC(=O)NCCn2cc(C(=O)[O-])nn2)c1=O ZINC001605927055 1018677274 /nfs/dbraw/zinc/67/72/74/1018677274.db2.gz CPXCPOOHQMPVHA-UHFFFAOYSA-N -1 0 320.309 -0.020 20 0 DBADRM CCn1cnc(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001605932101 1018677878 /nfs/dbraw/zinc/67/78/78/1018677878.db2.gz CXXRCNNSPMOFSL-QWRGUYRKSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1nc(C)c(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])n1 ZINC001605939572 1018678192 /nfs/dbraw/zinc/67/81/92/1018678192.db2.gz DLFBFKNDHFBDGY-SNVBAGLBSA-N -1 0 316.383 -0.320 20 0 DBADRM CCn1nnc(C)c1CN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001605945302 1018678941 /nfs/dbraw/zinc/67/89/41/1018678941.db2.gz IUJCWGNBCFZJGP-RYUDHWBXSA-N -1 0 321.381 -0.029 20 0 DBADRM CCn1ncc(CNS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])n1 ZINC001605941570 1018679417 /nfs/dbraw/zinc/67/94/17/1018679417.db2.gz YHFWALXSNYPHAD-UHFFFAOYSA-N -1 0 314.327 -0.494 20 0 DBADRM CCn1nccc1S(=O)(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001605946002 1018679829 /nfs/dbraw/zinc/67/98/29/1018679829.db2.gz PANCFRVHPHMRLR-JTQLQIEISA-N -1 0 316.383 -0.460 20 0 DBADRM O=C([O-])C1(C(=O)Nn2ccccc2=O)CCS(=O)(=O)CC1 ZINC001605943534 1018680296 /nfs/dbraw/zinc/68/02/96/1018680296.db2.gz AANBVAOUKIMYTN-UHFFFAOYSA-N -1 0 314.319 -0.802 20 0 DBADRM CCn1nncc1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001605946753 1018680689 /nfs/dbraw/zinc/68/06/89/1018680689.db2.gz CVYRUFKPISKBMR-VHSXEESVSA-N -1 0 321.337 -0.699 20 0 DBADRM CCn1ncc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001605941547 1018680697 /nfs/dbraw/zinc/68/06/97/1018680697.db2.gz RDYPZELVGDJJSI-MRVPVSSYSA-N -1 0 305.298 -0.325 20 0 DBADRM CN(C(=O)C1CCN(S(N)(=O)=O)CC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605955203 1018681761 /nfs/dbraw/zinc/68/17/61/1018681761.db2.gz FOXMHEBGFNABGC-AOOOYVTPSA-N -1 0 319.383 -0.777 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001605955584 1018682482 /nfs/dbraw/zinc/68/24/82/1018682482.db2.gz AHPDMSAOIDYDCG-NXEZZACHSA-N -1 0 321.337 -0.412 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001605957521 1018683026 /nfs/dbraw/zinc/68/30/26/1018683026.db2.gz RPSVKHZTZJNUAI-IUCAKERBSA-N -1 0 322.321 -0.871 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cncn2C)C1 ZINC001605956037 1018683154 /nfs/dbraw/zinc/68/31/54/1018683154.db2.gz FCXOPHCGQLCONQ-VHSXEESVSA-N -1 0 306.322 -0.576 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@@H]([C@H](O)C(F)(F)F)C2)C1 ZINC001605964352 1018684234 /nfs/dbraw/zinc/68/42/34/1018684234.db2.gz ZYCNRVDDFHIPOP-DTLFHODZSA-N -1 0 310.228 -0.012 20 0 DBADRM CN(C(=O)Cn1cc(C(N)=O)nn1)c1ccccc1C(=O)[O-] ZINC001605966958 1018684460 /nfs/dbraw/zinc/68/44/60/1018684460.db2.gz ZCQMQSZGDYBFNG-UHFFFAOYSA-N -1 0 303.278 -0.262 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCN(c3cc(F)ncn3)CC2)C1 ZINC001605967661 1018684513 /nfs/dbraw/zinc/68/45/13/1018684513.db2.gz KOWWVBHSYGLNTM-SECBINFHSA-N -1 0 323.284 -0.506 20 0 DBADRM CN(C(=O)CN1C(=O)CNC1=O)c1nc(CC(=O)[O-])cs1 ZINC001605961119 1018685084 /nfs/dbraw/zinc/68/50/84/1018685084.db2.gz VHNHQSIORZPMDZ-UHFFFAOYSA-N -1 0 312.307 -0.715 20 0 DBADRM CN(C(=O)Cc1cc[nH]n1)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001605966455 1018685461 /nfs/dbraw/zinc/68/54/61/1018685461.db2.gz MXBXXYDUWILHAD-WDEREUQCSA-N -1 0 306.322 -0.658 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N(CCOCCO)C2CCC2)C1 ZINC001605964359 1018685613 /nfs/dbraw/zinc/68/56/13/1018685613.db2.gz ZYGWNSBVEBEHQK-NSHDSACASA-N -1 0 300.311 -0.394 20 0 DBADRM CN(C(=O)CCc1nnc[nH]1)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605960669 1018686186 /nfs/dbraw/zinc/68/61/86/1018686186.db2.gz FHTUECICKVAVQI-UWVGGRQHSA-N -1 0 321.337 -0.873 20 0 DBADRM CN(C(=O)c1cnon1)C1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001605988595 1018686903 /nfs/dbraw/zinc/68/69/03/1018686903.db2.gz JWDZQFOZCJXPFP-ZJUUUORDSA-N -1 0 322.321 -0.147 20 0 DBADRM CN([C@H](COC1CCC1)C(=O)[O-])S(=O)(=O)[C@@H]1COC[C@H]1O ZINC001605995003 1018690252 /nfs/dbraw/zinc/69/02/52/1018690252.db2.gz ZMICPVSUVMYXNH-GMTAPVOTSA-N -1 0 323.367 -0.970 20 0 DBADRM CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001606075683 1018711037 /nfs/dbraw/zinc/71/10/37/1018711037.db2.gz AUCSMLCFZBHBLC-QMMMGPOBSA-N -1 0 311.381 -0.558 20 0 DBADRM CN(C)C(=O)CN1CCCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001605996990 1018690574 /nfs/dbraw/zinc/69/05/74/1018690574.db2.gz KYUVOEWFXHTLCO-UHFFFAOYSA-N -1 0 307.354 -0.225 20 0 DBADRM CN(C)C(=O)[C@@H]1CSCN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001605995205 1018691666 /nfs/dbraw/zinc/69/16/66/1018691666.db2.gz UYRJJFQFERWLRW-VIFPVBQESA-N -1 0 312.351 -0.429 20 0 DBADRM CN([C@@H](COC1CCC1)C(=O)[O-])S(=O)(=O)[C@@H]1COC[C@H]1O ZINC001605995006 1018691720 /nfs/dbraw/zinc/69/17/20/1018691720.db2.gz ZMICPVSUVMYXNH-HBNTYKKESA-N -1 0 323.367 -0.970 20 0 DBADRM CN(C)C1(CS(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])CC1 ZINC001606012744 1018694205 /nfs/dbraw/zinc/69/42/05/1018694205.db2.gz MNGGLRATGJSBDQ-SNVBAGLBSA-N -1 0 306.384 -0.414 20 0 DBADRM CN(C)C1(CS(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)CC1 ZINC001606013061 1018694612 /nfs/dbraw/zinc/69/46/12/1018694612.db2.gz XFWVWRNHSLFWKC-NSHDSACASA-N -1 0 306.384 -0.366 20 0 DBADRM Cc1nc(-c2nnn[n-]2)c(N2NC(=O)[C@@H]3CCC[C@@H]3C2=O)o1 ZINC001606019599 1018696806 /nfs/dbraw/zinc/69/68/06/1018696806.db2.gz KKOBSUUFIGCPRP-RQJHMYQMSA-N -1 0 303.282 -0.043 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2Cc3cncnc3C2)CC1 ZINC001606022364 1018698369 /nfs/dbraw/zinc/69/83/69/1018698369.db2.gz MVVKVFWRRYYLKE-UHFFFAOYSA-N -1 0 312.351 -0.166 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001606038288 1018702770 /nfs/dbraw/zinc/70/27/70/1018702770.db2.gz YUEFCJGVDWCRSX-UHFFFAOYSA-N -1 0 314.363 -0.065 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])c1cccnc1 ZINC001606038250 1018703019 /nfs/dbraw/zinc/70/30/19/1018703019.db2.gz XKLGRZCAGSWMBO-SNVBAGLBSA-N -1 0 301.324 -0.785 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2CCC[C@H]2CCOC2=O)C1 ZINC001606030177 1018703184 /nfs/dbraw/zinc/70/31/84/1018703184.db2.gz CAXNIPJEUDNZBO-VHSXEESVSA-N -1 0 309.326 -0.073 20 0 DBADRM O=C([O-])[C@H]1CCN(c2nnnn2CCC[C@H]2CCOC2=O)C1 ZINC001606030176 1018704093 /nfs/dbraw/zinc/70/40/93/1018704093.db2.gz CAXNIPJEUDNZBO-UWVGGRQHSA-N -1 0 309.326 -0.073 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)NCCSCC(=O)[O-] ZINC001606045083 1018705102 /nfs/dbraw/zinc/70/51/02/1018705102.db2.gz FCBOVOZFHAGSIA-QGZVFWFLSA-N -1 0 319.430 -0.787 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)CN[C@]1(CC(=O)[O-])CCCOC1 ZINC001606045137 1018705934 /nfs/dbraw/zinc/70/59/34/1018705934.db2.gz GTLXTEOERNTXLW-QKVFXAPYSA-N -1 0 321.399 -0.299 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2CCc2ccns2)CCO1 ZINC001606048730 1018706387 /nfs/dbraw/zinc/70/63/87/1018706387.db2.gz KNWDFHLPXKOSKP-SECBINFHSA-N -1 0 310.339 -0.338 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN1CCC[C@H]1CC(=O)[O-] ZINC001606045878 1018706819 /nfs/dbraw/zinc/70/68/19/1018706819.db2.gz UXSDWJJPQHDDEM-JTQLQIEISA-N -1 0 316.383 -0.023 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001606045372 1018707048 /nfs/dbraw/zinc/70/70/48/1018707048.db2.gz JMGTVTIODTVNME-WIUDPPPLSA-N -1 0 321.399 -0.755 20 0 DBADRM CN(C)c1ccccc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001606062333 1018707389 /nfs/dbraw/zinc/70/73/89/1018707389.db2.gz ZIVIAHDWVQXOFQ-SECBINFHSA-N -1 0 309.322 -0.357 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CSC(F)F ZINC001606054067 1018707466 /nfs/dbraw/zinc/70/74/66/1018707466.db2.gz ZPIOGABVEIVQKO-YFKPBYRVSA-N -1 0 303.308 -0.348 20 0 DBADRM CN(C)c1ccc(NC(=O)C(=O)NCCOCC(=O)[O-])cn1 ZINC001606054999 1018707487 /nfs/dbraw/zinc/70/74/87/1018707487.db2.gz ICCVIMSYCKWKBL-UHFFFAOYSA-N -1 0 310.310 -0.697 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001606057125 1018707698 /nfs/dbraw/zinc/70/76/98/1018707698.db2.gz MYKFRNWHJQLXHB-MRVPVSSYSA-N -1 0 300.292 -0.889 20 0 DBADRM CN(C)c1ccccc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001606062334 1018707987 /nfs/dbraw/zinc/70/79/87/1018707987.db2.gz ZIVIAHDWVQXOFQ-VIFPVBQESA-N -1 0 309.322 -0.357 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc2nc[nH]c2n1 ZINC001606056904 1018708214 /nfs/dbraw/zinc/70/82/14/1018708214.db2.gz FFGQLFUJCDNREE-SECBINFHSA-N -1 0 324.318 -0.718 20 0 DBADRM CN(C)c1cccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001606059335 1018709097 /nfs/dbraw/zinc/70/90/97/1018709097.db2.gz FROHCOCYKMRHAQ-LLVKDONJSA-N -1 0 313.379 -0.169 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cnn2cccnc12 ZINC001606057878 1018709544 /nfs/dbraw/zinc/70/95/44/1018709544.db2.gz UNHSTFHEEUSMKM-SECBINFHSA-N -1 0 324.318 -0.947 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H](O)c1ccccc1 ZINC001606053790 1018709741 /nfs/dbraw/zinc/70/97/41/1018709741.db2.gz PEFBWLIMFGYVQF-WDEREUQCSA-N -1 0 313.331 -0.570 20 0 DBADRM CN(C)c1noc(CCC(=O)Nc2ccn(CC(=O)[O-])n2)n1 ZINC001606069842 1018710441 /nfs/dbraw/zinc/71/04/41/1018710441.db2.gz CMENDWHZGCJODN-UHFFFAOYSA-N -1 0 308.298 -0.012 20 0 DBADRM CN(CC(=O)N1CC[C@](O)(C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001606075295 1018711276 /nfs/dbraw/zinc/71/12/76/1018711276.db2.gz GVIUIBPLJDBWMU-CYBMUJFWSA-N -1 0 302.327 -0.099 20 0 DBADRM O=C([O-])CC1(C(=O)N2CC[C@H](O)[C@H](CO)C2)CCOCC1 ZINC001606070574 1018711443 /nfs/dbraw/zinc/71/14/43/1018711443.db2.gz JNHVPUJWFUJIGV-QWRGUYRKSA-N -1 0 301.339 -0.540 20 0 DBADRM CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001606075681 1018712044 /nfs/dbraw/zinc/71/20/44/1018712044.db2.gz AUCSMLCFZBHBLC-MRVPVSSYSA-N -1 0 311.381 -0.558 20 0 DBADRM O=C([O-])CC1(C(=O)NCCN2CCNC2=S)CCOCC1 ZINC001606072967 1018712322 /nfs/dbraw/zinc/71/23/22/1018712322.db2.gz WXUOINWGCLVSMY-UHFFFAOYSA-N -1 0 315.395 -0.436 20 0 DBADRM CN([C@H]1CCNC1=O)S(=O)(=O)c1scnc1C(=O)[O-] ZINC001606075737 1018712799 /nfs/dbraw/zinc/71/27/99/1018712799.db2.gz CSYHJDLRQHNEBW-YFKPBYRVSA-N -1 0 305.337 -0.650 20 0 DBADRM CN(CC(=O)NC[C@H](O)C(=O)[O-])C(=O)OCc1ccccc1 ZINC001606081678 1018713623 /nfs/dbraw/zinc/71/36/23/1018713623.db2.gz XCLUTKOWVVQDGT-NSHDSACASA-N -1 0 310.306 -0.183 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCS(=O)(=O)CC1(C)C ZINC001606086948 1018714052 /nfs/dbraw/zinc/71/40/52/1018714052.db2.gz XQXVCNDMBBPRBY-UHFFFAOYSA-N -1 0 306.384 -0.572 20 0 DBADRM CN(CC(=O)NCCC(=O)[O-])Cc1ncnn1CC(F)F ZINC001606080650 1018714301 /nfs/dbraw/zinc/71/43/01/1018714301.db2.gz IZJBCISUMWAPNG-UHFFFAOYSA-N -1 0 305.285 -0.434 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)C1 ZINC001606091031 1018714388 /nfs/dbraw/zinc/71/43/88/1018714388.db2.gz WHXDNKKBYGYETH-RWSFTLGLSA-N -1 0 310.350 -0.460 20 0 DBADRM CN(CC(=O)N[C@H](CCC1OCCO1)C(=O)[O-])C(=O)C1CC1 ZINC001606080240 1018715256 /nfs/dbraw/zinc/71/52/56/1018715256.db2.gz UJEBHQRWHDALLE-SNVBAGLBSA-N -1 0 314.338 -0.423 20 0 DBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H](C(=O)[O-])C1CC1 ZINC001606080391 1018715409 /nfs/dbraw/zinc/71/54/09/1018715409.db2.gz AYQJZGGGEGXOCO-ONGXEEELSA-N -1 0 304.368 -0.915 20 0 DBADRM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001606101042 1018717108 /nfs/dbraw/zinc/71/71/08/1018717108.db2.gz PHRPDTFRKMHIMU-BJDJZHNGSA-N -1 0 312.366 -0.025 20 0 DBADRM CN(CC1(O)CCOCC1)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606095598 1018717912 /nfs/dbraw/zinc/71/79/12/1018717912.db2.gz DEJFVCIADBJUQL-UHFFFAOYSA-N -1 0 319.339 -0.730 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001606093569 1018719224 /nfs/dbraw/zinc/71/92/24/1018719224.db2.gz BBKQYLGJZMMFEM-UHFFFAOYSA-N -1 0 315.232 -0.455 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001606094096 1018719432 /nfs/dbraw/zinc/71/94/32/1018719432.db2.gz PJZWXVYPDFPUKW-RYUDHWBXSA-N -1 0 312.366 -0.167 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001606181010 1018720430 /nfs/dbraw/zinc/72/04/30/1018720430.db2.gz VFQIXRPGBPWGHK-NXEZZACHSA-N -1 0 302.308 -0.840 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC001606104541 1018720688 /nfs/dbraw/zinc/72/06/88/1018720688.db2.gz CSRQCCKXTXJXLT-QWRGUYRKSA-N -1 0 306.384 -0.004 20 0 DBADRM CN(Cc1nnc2c(=O)n(C)ccn12)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001606178704 1018720756 /nfs/dbraw/zinc/72/07/56/1018720756.db2.gz MNCMNOUNVWIHSJ-JGVFFNPUSA-N -1 0 305.294 -0.893 20 0 DBADRM CN1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])NCC1=O ZINC001606197286 1018721515 /nfs/dbraw/zinc/72/15/15/1018721515.db2.gz BXXWJZDCSFMXSR-RYUDHWBXSA-N -1 0 305.334 -0.771 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@H](N2CCOC2=O)C1 ZINC001606104789 1018721547 /nfs/dbraw/zinc/72/15/47/1018721547.db2.gz PCGACMCFVKJTCZ-VIFPVBQESA-N -1 0 321.355 -0.836 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc(CCO)cc1 ZINC001606110459 1018721959 /nfs/dbraw/zinc/72/19/59/1018721959.db2.gz LTPZIXWPBSABJR-UHFFFAOYSA-N -1 0 316.379 -0.038 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001606191494 1018722473 /nfs/dbraw/zinc/72/24/73/1018722473.db2.gz MTOMMZZPVMFHLB-YCGNWBHESA-N -1 0 300.336 -0.217 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001606104539 1018722789 /nfs/dbraw/zinc/72/27/89/1018722789.db2.gz CSRQCCKXTXJXLT-GHMZBOCLSA-N -1 0 306.384 -0.004 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001606191487 1018722666 /nfs/dbraw/zinc/72/26/66/1018722666.db2.gz MTOMMZZPVMFHLB-GFSSTFBJSA-N -1 0 300.336 -0.217 20 0 DBADRM CN1C[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c2ccccc2C1=O ZINC001606197443 1018722887 /nfs/dbraw/zinc/72/28/87/1018722887.db2.gz FHVRBMDCQPLYNJ-ICCXJUOJSA-N -1 0 318.329 -0.098 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC001606191785 1018723486 /nfs/dbraw/zinc/72/34/86/1018723486.db2.gz PSCHQHBCUUJUIY-MDZLAQPJSA-N -1 0 324.308 -0.093 20 0 DBADRM CN1C[C@H](C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)NC1=O ZINC001606197352 1018723641 /nfs/dbraw/zinc/72/36/41/1018723641.db2.gz DIYRQWXGZCCIII-IONNQARKSA-N -1 0 307.310 -0.444 20 0 DBADRM CN1C[C@@H](C(=O)N[C@](C)(CC(=O)[O-])c2cccnc2)NC1=O ZINC001606198371 1018725136 /nfs/dbraw/zinc/72/51/36/1018725136.db2.gz UQGAQFHNHNAGCS-IINYFYTJSA-N -1 0 306.322 -0.089 20 0 DBADRM CN1C[C@@H](C(=O)Nc2nnc(CCCC(=O)[O-])s2)NC1=O ZINC001606197768 1018725539 /nfs/dbraw/zinc/72/55/39/1018725539.db2.gz KOCCCVCCQBYUCD-LURJTMIESA-N -1 0 313.339 -0.093 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccn3nccc3n2)CC1=O ZINC001606200327 1018725574 /nfs/dbraw/zinc/72/55/74/1018725574.db2.gz QVBOLFHKRIMYPG-SECBINFHSA-N -1 0 303.278 -0.903 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)CCO3)CC1=O ZINC001606198854 1018725870 /nfs/dbraw/zinc/72/58/70/1018725870.db2.gz AMLXPZYZAKIKGW-NSHDSACASA-N -1 0 304.302 -0.011 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@H]2COc3ccccc32)CC1=O ZINC001606198568 1018726393 /nfs/dbraw/zinc/72/63/93/1018726393.db2.gz WSNJJAXCMRDKEY-WDEREUQCSA-N -1 0 304.302 -0.084 20 0 DBADRM CN1C[C@@H](C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)NC1=O ZINC001606198605 1018726536 /nfs/dbraw/zinc/72/65/36/1018726536.db2.gz XREYWHOJRYXQFL-BDAKNGLRSA-N -1 0 322.325 -0.837 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NCCN2CCNC2=S)CO1 ZINC001606111668 1018726711 /nfs/dbraw/zinc/72/67/11/1018726711.db2.gz MIPCBRHQTXTIFY-NXEZZACHSA-N -1 0 315.395 -0.437 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NCc2nnnn2C2CC2)CO1 ZINC001606111398 1018727072 /nfs/dbraw/zinc/72/70/72/1018727072.db2.gz GVDWNGGBLZKXHV-PSASIEDQSA-N -1 0 309.326 -0.106 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccnn2CC(F)F)CC1=O ZINC001606199762 1018727501 /nfs/dbraw/zinc/72/75/01/1018727501.db2.gz IVLCJYNBBIXPAG-QMMMGPOBSA-N -1 0 316.264 -0.484 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)[nH]1 ZINC001606118113 1018727951 /nfs/dbraw/zinc/72/79/51/1018727951.db2.gz ACBMYZLAZKXILD-WDSKDSINSA-N -1 0 317.317 -0.677 20 0 DBADRM CN1C[C@H](NS(=O)(=O)CC2(C(=O)[O-])CCC2)CCC1=O ZINC001606203492 1018728666 /nfs/dbraw/zinc/72/86/66/1018728666.db2.gz UNTOPNRIRSNNPH-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001606117233 1018728887 /nfs/dbraw/zinc/72/88/87/1018728887.db2.gz PFOKRIAYLJOQML-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cccs2)CC1=O ZINC001606201370 1018728784 /nfs/dbraw/zinc/72/87/84/1018728784.db2.gz AQAADIUGYHTNEQ-ZETCQYMHSA-N -1 0 304.349 -0.336 20 0 DBADRM CN([C@H]1CCC(=O)N(C)C1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001606204004 1018729312 /nfs/dbraw/zinc/72/93/12/1018729312.db2.gz ZVJQOPQQRNDIOH-QMMMGPOBSA-N -1 0 315.351 -0.046 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(F)cc2)CC1=O ZINC001606201649 1018729570 /nfs/dbraw/zinc/72/95/70/1018729570.db2.gz CUAWQAIPFXYCNJ-SNVBAGLBSA-N -1 0 316.310 -0.258 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cscn2)CC1=O ZINC001606203764 1018731207 /nfs/dbraw/zinc/73/12/07/1018731207.db2.gz NKQQBQIISKYMHQ-ZCFIWIBFSA-N -1 0 305.337 -0.941 20 0 DBADRM CN(CCN(C)c1ccnc(C(=O)[O-])n1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001606126571 1018731907 /nfs/dbraw/zinc/73/19/07/1018731907.db2.gz IFFGXUNKPNDSHM-BDAKNGLRSA-N -1 0 321.337 -0.809 20 0 DBADRM CN(CCCNC(=O)c1cn[nH]n1)c1ncc(C(=O)[O-])cn1 ZINC001606122708 1018733114 /nfs/dbraw/zinc/73/31/14/1018733114.db2.gz ZDKKFCBHWRBFEC-UHFFFAOYSA-N -1 0 305.298 -0.451 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H]2CCOC2(C)C)c(-c2nnn[n-]2)c1=O ZINC001606206172 1018734036 /nfs/dbraw/zinc/73/40/36/1018734036.db2.gz SXPZHELVILPNHC-LURJTMIESA-N -1 0 307.314 -0.355 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@@H]2CCCS2)c(-c2nnn[n-]2)c1=O ZINC001606205865 1018734129 /nfs/dbraw/zinc/73/41/29/1018734129.db2.gz KMZSFWKWSHMXGD-LURJTMIESA-N -1 0 309.355 -0.027 20 0 DBADRM Cc1noc(CN(C)C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001606134493 1018736037 /nfs/dbraw/zinc/73/60/37/1018736037.db2.gz LEWKPDFKKVQBBK-LURJTMIESA-N -1 0 318.301 -0.631 20 0 DBADRM CN(CCN1CCOCC1)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001606131356 1018736897 /nfs/dbraw/zinc/73/68/97/1018736897.db2.gz WXLJGENZBZYGAE-VXGBXAGGSA-N -1 0 315.370 -0.550 20 0 DBADRM CN1CC[C@@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CC1=O ZINC001606208966 1018737912 /nfs/dbraw/zinc/73/79/12/1018737912.db2.gz OOCNVOUOMGAZHX-MRVPVSSYSA-N -1 0 307.310 -0.772 20 0 DBADRM CN1CC[C@@](C)(C(=O)N2CCc3[nH]nc(C(=O)[O-])c3C2)C1=O ZINC001606213771 1018742061 /nfs/dbraw/zinc/74/20/61/1018742061.db2.gz MBDSOUPHWMBAOF-CQSZACIVSA-N -1 0 306.322 -0.139 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])C1=O ZINC001606211852 1018742144 /nfs/dbraw/zinc/74/21/44/1018742144.db2.gz DBWQBBYUINIKMF-BDAKNGLRSA-N -1 0 300.311 -0.813 20 0 DBADRM CN(CCc1cn(CC(=O)[O-])nn1)Cc1nnc2n1CCC2 ZINC001606141272 1018743681 /nfs/dbraw/zinc/74/36/81/1018743681.db2.gz QHLYOMGWJBIUNY-UHFFFAOYSA-N -1 0 305.342 -0.425 20 0 DBADRM O=C([O-])CCCNC(=O)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001606178073 1018745391 /nfs/dbraw/zinc/74/53/91/1018745391.db2.gz PJYYTRMUUSASBA-JTQLQIEISA-N -1 0 313.354 -0.476 20 0 DBADRM CN(Cc1cccnc1)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001606170932 1018745786 /nfs/dbraw/zinc/74/57/86/1018745786.db2.gz JTUGQBMLTWQHLF-VXGBXAGGSA-N -1 0 321.333 -0.666 20 0 DBADRM CN(Cc1cnn(C)n1)C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001606174461 1018745873 /nfs/dbraw/zinc/74/58/73/1018745873.db2.gz QBIJTZCJFBOVRP-CHWSQXEVSA-N -1 0 321.381 -0.041 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@H]2CCCOC2)n(C)c1=O ZINC001606218666 1018749191 /nfs/dbraw/zinc/74/91/91/1018749191.db2.gz UBZSDDASFAYTSM-MRVPVSSYSA-N -1 0 321.341 -0.897 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccn2)CC1=O ZINC001606218813 1018749330 /nfs/dbraw/zinc/74/93/30/1018749330.db2.gz DFYLKKAKSFSMFV-VIFPVBQESA-N -1 0 313.335 -0.321 20 0 DBADRM CN1CCN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@@H](C(=O)[O-])C1 ZINC001606228429 1018750756 /nfs/dbraw/zinc/75/07/56/1018750756.db2.gz IIOKCBNZSAGVGU-WDEREUQCSA-N -1 0 318.395 -0.572 20 0 DBADRM CN1CCC[C@H](C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])C1=O ZINC001606223812 1018751495 /nfs/dbraw/zinc/75/14/95/1018751495.db2.gz UWHDUHYRBMADNR-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1CCC[C@@H](C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001606223530 1018754666 /nfs/dbraw/zinc/75/46/66/1018754666.db2.gz RJCVTJBFRUGSAB-VHSXEESVSA-N -1 0 321.337 -0.382 20 0 DBADRM CN1CCN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@H](C(=O)[O-])C1 ZINC001606228426 1018755555 /nfs/dbraw/zinc/75/55/55/1018755555.db2.gz IIOKCBNZSAGVGU-GHMZBOCLSA-N -1 0 318.395 -0.572 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCCCCCCO)C1=O ZINC001606250084 1018780338 /nfs/dbraw/zinc/78/03/38/1018780338.db2.gz IYEYRWKZECWSSW-LLVKDONJSA-N -1 0 300.355 -0.022 20 0 DBADRM CN1CCN(C(=O)C2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)CC1 ZINC001606228632 1018758637 /nfs/dbraw/zinc/75/86/37/1018758637.db2.gz KGKKRYHHSPALOC-UHFFFAOYSA-N -1 0 323.393 -0.136 20 0 DBADRM CN1CCN(C(=O)C[C@@H]2CCCS2(=O)=O)C[C@@H](C(=O)[O-])C1 ZINC001606229409 1018759176 /nfs/dbraw/zinc/75/91/76/1018759176.db2.gz XPXRMACYDRAOCU-QWRGUYRKSA-N -1 0 318.395 -0.572 20 0 DBADRM CN1CCN(C(=O)C[C@H]2CCCS2(=O)=O)C[C@@H](C(=O)[O-])C1 ZINC001606229410 1018759576 /nfs/dbraw/zinc/75/95/76/1018759576.db2.gz XPXRMACYDRAOCU-WDEREUQCSA-N -1 0 318.395 -0.572 20 0 DBADRM CN1CCN(C(=O)CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1 ZINC001606233022 1018764172 /nfs/dbraw/zinc/76/41/72/1018764172.db2.gz FKUCSWVVRZKMQH-HWKANZROSA-N -1 0 321.333 -0.119 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)c1cc(C(=O)[O-])co1 ZINC001606233256 1018764587 /nfs/dbraw/zinc/76/45/87/1018764587.db2.gz JAUBTAAWRAYMBG-UHFFFAOYSA-N -1 0 309.322 -0.176 20 0 DBADRM CN1CCN(C(=O)CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1 ZINC001606233023 1018767504 /nfs/dbraw/zinc/76/75/04/1018767504.db2.gz FKUCSWVVRZKMQH-HYXAFXHYSA-N -1 0 321.333 -0.119 20 0 DBADRM CN1CCN(C)[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001606238336 1018773024 /nfs/dbraw/zinc/77/30/24/1018773024.db2.gz VYSKTOKJUDEUEM-SNVBAGLBSA-N -1 0 317.367 -0.498 20 0 DBADRM CN1CCO[C@H](C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)C1 ZINC001606247373 1018776063 /nfs/dbraw/zinc/77/60/63/1018776063.db2.gz KTABCSTVMCOQDN-LBPRGKRZSA-N -1 0 323.353 -0.530 20 0 DBADRM CN1CCN(c2ccc(S(C)(=O)=O)cn2)C[C@H](C(=O)[O-])C1 ZINC001606247461 1018776366 /nfs/dbraw/zinc/77/63/66/1018776366.db2.gz MGDHNAIDRLLGEH-SNVBAGLBSA-N -1 0 313.379 -0.062 20 0 DBADRM CN1CCO[C@H](C(=O)N2CCSC[C@H]2CC(=O)[O-])C1=O ZINC001606249143 1018776502 /nfs/dbraw/zinc/77/65/02/1018776502.db2.gz GPJHWLZUYMDONM-SCZZXKLOSA-N -1 0 302.352 -0.738 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001606249158 1018776734 /nfs/dbraw/zinc/77/67/34/1018776734.db2.gz GXGKQJHTKPPNNM-VQXHTEKXSA-N -1 0 306.384 -0.510 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)Cn2cc(C3CC3)cn2)C1=O ZINC001606247366 1018777729 /nfs/dbraw/zinc/77/77/29/1018777729.db2.gz FZEJPULQGMZUIL-NSHDSACASA-N -1 0 307.306 -0.011 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)C2(C(=O)NC3CC3)CCC2)C1=O ZINC001606247112 1018777764 /nfs/dbraw/zinc/77/77/64/1018777764.db2.gz FIBAYKSBTOZLAP-JTQLQIEISA-N -1 0 324.333 -0.336 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@H](CC2CCOCC2)C(=O)[O-])C1 ZINC001606248588 1018777777 /nfs/dbraw/zinc/77/77/77/1018777777.db2.gz CIQWVBYKDMNKKJ-NEPJUHHUSA-N -1 0 300.355 -0.297 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1=O ZINC001606251760 1018779204 /nfs/dbraw/zinc/77/92/04/1018779204.db2.gz PQNBMOFVNVKZEJ-KOLCDFICSA-N -1 0 323.349 -0.811 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCC(=O)N2CCCC2)C1=O ZINC001606249283 1018780012 /nfs/dbraw/zinc/78/00/12/1018780012.db2.gz FWJDYIVIQGUUQC-SNVBAGLBSA-N -1 0 311.338 -0.952 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCC(=O)OCC2CC2)C1=O ZINC001606251791 1018780508 /nfs/dbraw/zinc/78/05/08/1018780508.db2.gz QFQSFIWWAQWCCU-JTQLQIEISA-N -1 0 312.322 -0.621 20 0 DBADRM Cn1ccc(NC(=O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001606250696 1018780660 /nfs/dbraw/zinc/78/06/60/1018780660.db2.gz WVCMASWUUSJMNC-UHFFFAOYSA-N -1 0 315.297 -0.703 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](N2C(=O)N3CC4CC3(C4)C2=O)C1=O ZINC001606257259 1018782222 /nfs/dbraw/zinc/78/22/22/1018782222.db2.gz KCDQNOYKHIIXDR-KGXJWFGYSA-N -1 0 321.333 -0.121 20 0 DBADRM CN1N=C(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)CCC1=O ZINC001606258186 1018783383 /nfs/dbraw/zinc/78/33/83/1018783383.db2.gz BFBNIWVIFVZSTG-UHFFFAOYSA-N -1 0 322.321 -0.183 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)CO[C@@H]2CCOC2)C1=O ZINC001606257064 1018783554 /nfs/dbraw/zinc/78/35/54/1018783554.db2.gz HYCPQDRNQZNBOA-MNOVXSKESA-N -1 0 314.338 -0.626 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N2CCO[C@H]3C[C@H]32)C1=O ZINC001606258802 1018784108 /nfs/dbraw/zinc/78/41/08/1018784108.db2.gz XMXPHDQMBQJKOQ-AXFHLTTASA-N -1 0 311.338 -0.365 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NS(=O)(=O)c2c[nH]cn2)C1=O ZINC001606259023 1018784365 /nfs/dbraw/zinc/78/43/65/1018784365.db2.gz NVYFQXWTXKIQRY-MRVPVSSYSA-N -1 0 316.339 -0.846 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC001606259316 1018785029 /nfs/dbraw/zinc/78/50/29/1018785029.db2.gz QBFMHBCNOACRTB-UHFFFAOYSA-N -1 0 303.278 -0.534 20 0 DBADRM O=C([O-])CNC(=O)C[S@](=O)Cc1nncn1-c1ccccc1 ZINC001606264499 1018785119 /nfs/dbraw/zinc/78/51/19/1018785119.db2.gz HAVHRXNYZHODGW-JOCHJYFZSA-N -1 0 322.346 -0.283 20 0 DBADRM CNC(=O)[C@H]1CCN(C(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001606262240 1018785206 /nfs/dbraw/zinc/78/52/06/1018785206.db2.gz SZCNHSBYDGHOLE-QMMMGPOBSA-N -1 0 311.294 -0.516 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001606259967 1018787256 /nfs/dbraw/zinc/78/72/56/1018787256.db2.gz RMENSSRJVAXVGU-ZCFIWIBFSA-N -1 0 304.299 -0.063 20 0 DBADRM CNC(=O)[C@H](O)CNC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001606261768 1018787348 /nfs/dbraw/zinc/78/73/48/1018787348.db2.gz WZCSXNCCZFOWOJ-LLVKDONJSA-N -1 0 324.333 -0.396 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001606259418 1018787621 /nfs/dbraw/zinc/78/76/21/1018787621.db2.gz NWSJTRBDGVAHNT-SSDOTTSWSA-N -1 0 322.350 -0.067 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001606259826 1018788006 /nfs/dbraw/zinc/78/80/06/1018788006.db2.gz NXVXIOBEORNYEO-AEJSXWLSSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C([O-])CNC(=O)CN1CCOC[C@@H]1CC1CCOCC1 ZINC001606264612 1018788025 /nfs/dbraw/zinc/78/80/25/1018788025.db2.gz NOXRRZBQWMAPMP-LBPRGKRZSA-N -1 0 300.355 -0.295 20 0 DBADRM CNC(=O)CCCN(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606268959 1018789300 /nfs/dbraw/zinc/78/93/00/1018789300.db2.gz AVXNHONPOVJCRB-JTQLQIEISA-N -1 0 313.354 -0.706 20 0 DBADRM CNC(=O)[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CCO1 ZINC001606266754 1018790095 /nfs/dbraw/zinc/79/00/95/1018790095.db2.gz ZZUVIFZCCSYCMZ-VIFPVBQESA-N -1 0 320.367 -0.982 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)C2=CCCC2)c1[O-] ZINC001501486001 1018790295 /nfs/dbraw/zinc/79/02/95/1018790295.db2.gz BEUBQMBZFXMRPV-SNVBAGLBSA-N -1 0 308.338 -0.259 20 0 DBADRM CNC(=O)C1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC001606266449 1018790687 /nfs/dbraw/zinc/79/06/87/1018790687.db2.gz VUDDHPUEWUPKGI-UHFFFAOYSA-N -1 0 323.280 -0.333 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)Nc2cccc(CC(=O)[O-])n2)CCO1 ZINC001606265764 1018791109 /nfs/dbraw/zinc/79/11/09/1018791109.db2.gz AJNQNIJVMDKMRM-SNVBAGLBSA-N -1 0 322.321 -0.313 20 0 DBADRM CNC(=O)C[C@H](C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001606267354 1018791751 /nfs/dbraw/zinc/79/17/51/1018791751.db2.gz BIWCWEGGDIGZRO-YFKPBYRVSA-N -1 0 304.328 -0.781 20 0 DBADRM CNC(=O)CCCCC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001606268993 1018792604 /nfs/dbraw/zinc/79/26/04/1018792604.db2.gz BMIHRWZDKZAMJF-ZDUSSCGKSA-N -1 0 300.355 -0.023 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC2(F)F)c1[O-] ZINC001501489477 1018794686 /nfs/dbraw/zinc/79/46/86/1018794686.db2.gz OGHPYLCKJGCFFB-RQJHMYQMSA-N -1 0 318.280 -0.714 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001606271163 1018795600 /nfs/dbraw/zinc/79/56/00/1018795600.db2.gz QUYCOGQIYIDWOK-UHFFFAOYSA-N -1 0 321.333 -0.752 20 0 DBADRM O=C([O-])COCCOCCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001606278883 1018800289 /nfs/dbraw/zinc/80/02/89/1018800289.db2.gz KAYRPFBGZQOFQJ-SNVBAGLBSA-N -1 0 302.327 -0.863 20 0 DBADRM O=C([O-])COCCOCCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001606278882 1018800664 /nfs/dbraw/zinc/80/06/64/1018800664.db2.gz KAYRPFBGZQOFQJ-JTQLQIEISA-N -1 0 302.327 -0.863 20 0 DBADRM O=C([O-])COCCNC(=O)NCC1(N2CCOCC2)CC1 ZINC001606279288 1018800803 /nfs/dbraw/zinc/80/08/03/1018800803.db2.gz IFPMKQJYPFKNLI-UHFFFAOYSA-N -1 0 301.343 -0.748 20 0 DBADRM CNC(=O)Cc1nc(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)cs1 ZINC001606277997 1018800947 /nfs/dbraw/zinc/80/09/47/1018800947.db2.gz XMPFHCCINCKQCS-PSASIEDQSA-N -1 0 313.379 -0.301 20 0 DBADRM Cn1ncc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1C(F)F ZINC001606276739 1018800985 /nfs/dbraw/zinc/80/09/85/1018800985.db2.gz ZQLQHDLIJJQEID-UHFFFAOYSA-N -1 0 324.255 -0.232 20 0 DBADRM CNC(=O)Cc1noc(CN[C@]2(CC(=O)[O-])CCCOC2)n1 ZINC001606277967 1018801035 /nfs/dbraw/zinc/80/10/35/1018801035.db2.gz WGVHEPWHQXCVIP-ZDUSSCGKSA-N -1 0 312.326 -0.528 20 0 DBADRM CNC(=O)NCCC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001606282089 1018801590 /nfs/dbraw/zinc/80/15/90/1018801590.db2.gz WJUYBBRAZQGPIW-VHSXEESVSA-N -1 0 301.343 -0.308 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NC[C@H]1CC[C@H](O)C1 ZINC001606284754 1018803511 /nfs/dbraw/zinc/80/35/11/1018803511.db2.gz KDWJMYSTASAKJW-QWRGUYRKSA-N -1 0 304.343 -0.436 20 0 DBADRM CNC(=O)NCCC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001606282222 1018801653 /nfs/dbraw/zinc/80/16/53/1018801653.db2.gz WJUYBBRAZQGPIW-ZJUUUORDSA-N -1 0 301.343 -0.308 20 0 DBADRM Cn1nccc1[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001606282706 1018801781 /nfs/dbraw/zinc/80/17/81/1018801781.db2.gz SIUHIWUGCDZTDN-UHFFFAOYSA-N -1 0 306.311 -0.204 20 0 DBADRM CNC(=O)N[C@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001606280033 1018802598 /nfs/dbraw/zinc/80/25/98/1018802598.db2.gz BCEVWARAYCHFSX-VIFPVBQESA-N -1 0 321.337 -0.278 20 0 DBADRM CNC(=O)NC[C@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001606282316 1018802698 /nfs/dbraw/zinc/80/26/98/1018802698.db2.gz XJJJFVCBYSIHOW-SECBINFHSA-N -1 0 324.341 -0.714 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1ccc2n[nH]nc2c1 ZINC001606284547 1018803029 /nfs/dbraw/zinc/80/30/29/1018803029.db2.gz GJLGPNFODAKIOR-UHFFFAOYSA-N -1 0 308.294 -0.195 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1ccnc2[nH]cnc21 ZINC001606284922 1018803296 /nfs/dbraw/zinc/80/32/96/1018803296.db2.gz RJSAAZPLFXJYBF-UHFFFAOYSA-N -1 0 308.294 -0.195 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NOC1CCOCC1 ZINC001606284791 1018803685 /nfs/dbraw/zinc/80/36/85/1018803685.db2.gz MCEUQMIPAGIBDW-UHFFFAOYSA-N -1 0 306.315 -0.486 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC001606284847 1018803958 /nfs/dbraw/zinc/80/39/58/1018803958.db2.gz OPKKLWMOHUDNKT-NWDGAFQWSA-N -1 0 316.354 -0.029 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC001606286403 1018804005 /nfs/dbraw/zinc/80/40/05/1018804005.db2.gz WJAZCLYACOXDAW-AAEUAGOBSA-N -1 0 309.318 -0.035 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])n1 ZINC001606287646 1018804192 /nfs/dbraw/zinc/80/41/92/1018804192.db2.gz HFXVZSXDXZKSQO-QWRGUYRKSA-N -1 0 307.306 -0.509 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1cc(OC)ccc1C(=O)[O-] ZINC001606283714 1018804323 /nfs/dbraw/zinc/80/43/23/1018804323.db2.gz JBVXMSHWNAIATK-ZETCQYMHSA-N -1 0 316.335 -0.194 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1cnn2c1OCCC2 ZINC001606286376 1018804375 /nfs/dbraw/zinc/80/43/75/1018804375.db2.gz UVPCNDZTYSSZIY-UHFFFAOYSA-N -1 0 313.310 -0.487 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)NC(C)(C)C(=O)[O-])cc1 ZINC001606289657 1018804597 /nfs/dbraw/zinc/80/45/97/1018804597.db2.gz KVJVSBARAARPIW-UHFFFAOYSA-N -1 0 307.306 -0.036 20 0 DBADRM CNC(=O)c1cccc(NC(=O)C(=O)NC2(C(=O)[O-])CC2)c1 ZINC001606289878 1018805257 /nfs/dbraw/zinc/80/52/57/1018805257.db2.gz QSXJIVHFYPWAOT-UHFFFAOYSA-N -1 0 305.290 -0.282 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC[C@@H](n2ccnn2)C1 ZINC001606291624 1018805577 /nfs/dbraw/zinc/80/55/77/1018805577.db2.gz UVSWCFZHAALCPC-SNVBAGLBSA-N -1 0 302.356 -0.586 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC([C@H]2COC(=O)N2)CC1 ZINC001606291471 1018805714 /nfs/dbraw/zinc/80/57/14/1018805714.db2.gz JPHCDTREXFRCRK-SNVBAGLBSA-N -1 0 320.367 -0.694 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC[C@@H]1C(=O)NC1CC1 ZINC001606291533 1018805755 /nfs/dbraw/zinc/80/57/55/1018805755.db2.gz ODTDXPRXWGDZNH-SNVBAGLBSA-N -1 0 304.368 -0.771 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(c2ccc(C(=O)[O-])nn2)C1 ZINC001606302346 1018806200 /nfs/dbraw/zinc/80/62/00/1018806200.db2.gz FDDUXTVJHOGTKP-VIFPVBQESA-N -1 0 314.367 -0.060 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(Cc2cc(C(=O)[O-])no2)C1 ZINC001606298885 1018806226 /nfs/dbraw/zinc/80/62/26/1018806226.db2.gz KTJCIDXNXNFOIL-SECBINFHSA-N -1 0 303.340 -0.114 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1c1ccnc(C(=O)[O-])n1 ZINC001606302373 1018806281 /nfs/dbraw/zinc/80/62/81/1018806281.db2.gz FRNSRKQGERREGI-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001606302598 1018806551 /nfs/dbraw/zinc/80/65/51/1018806551.db2.gz JKASDVLFADEQIM-VIFPVBQESA-N -1 0 314.367 -0.060 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001606302353 1018806725 /nfs/dbraw/zinc/80/67/25/1018806725.db2.gz FHLNKXIDYUTATD-GFCCVEGCSA-N -1 0 315.351 -0.563 20 0 DBADRM CNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC001606301966 1018806801 /nfs/dbraw/zinc/80/68/01/1018806801.db2.gz XCJPAYATVXLTHC-ZJUUUORDSA-N -1 0 319.383 -0.904 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001606299309 1018806999 /nfs/dbraw/zinc/80/69/99/1018806999.db2.gz XRTIPZFQYDZZKO-KXUCPTDWSA-N -1 0 319.383 -0.427 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001606301939 1018807151 /nfs/dbraw/zinc/80/71/51/1018807151.db2.gz VXHMNAGSOMEYJB-YFKPBYRVSA-N -1 0 322.368 -0.928 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001606303546 1018807625 /nfs/dbraw/zinc/80/76/25/1018807625.db2.gz JFFZIJRLUCNGAQ-GZMMTYOYSA-N -1 0 307.372 -0.810 20 0 DBADRM CNc1cnc(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(=O)OC)cn1 ZINC001606313320 1018807632 /nfs/dbraw/zinc/80/76/32/1018807632.db2.gz OJBPFCSAVGOZQO-WCBMZHEXSA-N -1 0 322.321 -0.003 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(c2nccnc2C(=O)[O-])C1 ZINC001606303271 1018808078 /nfs/dbraw/zinc/80/80/78/1018808078.db2.gz YHVZAOWWXWNTMD-VIFPVBQESA-N -1 0 314.367 -0.060 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001606302825 1018808205 /nfs/dbraw/zinc/80/82/05/1018808205.db2.gz NURQWPLLLVWSMW-NBBOBHDQSA-N -1 0 320.367 -0.936 20 0 DBADRM CNc1nc(C)cc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])n1 ZINC001606313345 1018808237 /nfs/dbraw/zinc/80/82/37/1018808237.db2.gz OTJQORYHDCHCIB-VIFPVBQESA-N -1 0 307.310 -0.806 20 0 DBADRM CNc1nc(C(=O)NCCC(=O)NCCC(=O)[O-])cs1 ZINC001606313046 1018808260 /nfs/dbraw/zinc/80/82/60/1018808260.db2.gz JOXJNPLLDNFNBM-UHFFFAOYSA-N -1 0 300.340 -0.104 20 0 DBADRM CNS(=O)(=O)CC(=O)NCc1ccccc1CC(=O)[O-] ZINC001606303273 1018808298 /nfs/dbraw/zinc/80/82/98/1018808298.db2.gz YJOGYOSLISQHID-UHFFFAOYSA-N -1 0 300.336 -0.521 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001606303547 1018808462 /nfs/dbraw/zinc/80/84/62/1018808462.db2.gz JFFZIJRLUCNGAQ-KCJUWKMLSA-N -1 0 307.372 -0.810 20 0 DBADRM CNS(=O)(=O)NCC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001606303838 1018808877 /nfs/dbraw/zinc/80/88/77/1018808877.db2.gz ZOZWURRJJYYYIK-UHFFFAOYSA-N -1 0 315.351 -0.903 20 0 DBADRM COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606320115 1018809141 /nfs/dbraw/zinc/80/91/41/1018809141.db2.gz DODXDAJJIQGUOS-TVQRCGJNSA-N -1 0 312.326 -0.463 20 0 DBADRM COC(=O)/C(C)=C\CNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001606320707 1018809268 /nfs/dbraw/zinc/80/92/68/1018809268.db2.gz PRAKFOKYUZXEBS-NEOSZVFXSA-N -1 0 313.354 -0.237 20 0 DBADRM CNc1nnc(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)s1 ZINC001606315555 1018809838 /nfs/dbraw/zinc/80/98/38/1018809838.db2.gz SLKUBGKRCXSJSE-SSDOTTSWSA-N -1 0 300.340 -0.176 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001606321415 1018810080 /nfs/dbraw/zinc/81/00/80/1018810080.db2.gz JKXVINUYIMDZRD-QMMMGPOBSA-N -1 0 309.340 -0.963 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@H](N3CCC3)[C@@H](F)C2)nn1 ZINC001606326551 1018810580 /nfs/dbraw/zinc/81/05/80/1018810580.db2.gz RZWWOOBXXJNAQT-ONGXEEELSA-N -1 0 311.317 -0.379 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)nn1 ZINC001606326212 1018810807 /nfs/dbraw/zinc/81/08/07/1018810807.db2.gz MJYOYPGZSDMAMS-VHSXEESVSA-N -1 0 312.351 -0.291 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001606330853 1018810900 /nfs/dbraw/zinc/81/09/00/1018810900.db2.gz YOOSKZXRFIBBAJ-MRVPVSSYSA-N -1 0 317.319 -0.495 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC[C@H](N3CCCC3=O)C2)nn1 ZINC001606326128 1018811252 /nfs/dbraw/zinc/81/12/52/1018811252.db2.gz LJGSIAGLNRAZKN-JTQLQIEISA-N -1 0 321.337 -0.410 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)nn1 ZINC001606326845 1018811267 /nfs/dbraw/zinc/81/12/67/1018811267.db2.gz YHGHVHNRFMSZTK-VIFPVBQESA-N -1 0 322.325 -0.961 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(OC)nc1 ZINC001606325319 1018811354 /nfs/dbraw/zinc/81/13/54/1018811354.db2.gz KPZQAQQFXFBOTN-QMMMGPOBSA-N -1 0 318.307 -0.615 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001606324146 1018811400 /nfs/dbraw/zinc/81/14/00/1018811400.db2.gz URAJXOQHCYOGOC-WCBMZHEXSA-N -1 0 314.338 -0.186 20 0 DBADRM O=C([O-])Cn1cc(C(=O)Nc2ccc(CO)c(CO)c2)nn1 ZINC001606331125 1018811512 /nfs/dbraw/zinc/81/15/12/1018811512.db2.gz NLWWJORZHRZPDG-UHFFFAOYSA-N -1 0 306.278 -0.400 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@H](O)Cc2cccc(F)c2)nn1 ZINC001606326739 1018811814 /nfs/dbraw/zinc/81/18/14/1018811814.db2.gz UNALJYHPACMHIJ-LLVKDONJSA-N -1 0 322.296 -0.165 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NC2(CO)CCCC2)n1 ZINC001606340848 1018812688 /nfs/dbraw/zinc/81/26/88/1018812688.db2.gz FVHUPPRTKVOPMS-UHFFFAOYSA-N -1 0 310.310 -0.673 20 0 DBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001606335037 1018812935 /nfs/dbraw/zinc/81/29/35/1018812935.db2.gz RFLZATYIWSKTCX-VIFPVBQESA-N -1 0 307.266 -0.724 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)c1cc(C(=O)[O-])ccn1 ZINC001606332703 1018813449 /nfs/dbraw/zinc/81/34/49/1018813449.db2.gz RCDMRZDLQKEMTB-SNVBAGLBSA-N -1 0 324.289 -0.186 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NC[C@H](O)CC(=O)[O-])CCCC1 ZINC001606352218 1018813918 /nfs/dbraw/zinc/81/39/18/1018813918.db2.gz ZILDPHXVQNDAOJ-SECBINFHSA-N -1 0 323.367 -0.525 20 0 DBADRM COC(=O)[C@]1(C)C[C@H](OC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CN1C ZINC001606347536 1018814213 /nfs/dbraw/zinc/81/42/13/1018814213.db2.gz HAULGFAKIMVLBG-RZGXBDKHSA-N -1 0 315.322 -0.202 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CC[C@]3(CCOC3=O)C2)c1=O ZINC001606350908 1018814348 /nfs/dbraw/zinc/81/43/48/1018814348.db2.gz ZYSWCAQDTWLPAI-HNNXBMFYSA-N -1 0 320.301 -0.288 20 0 DBADRM COC(=O)C1(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CC1 ZINC001606346885 1018814353 /nfs/dbraw/zinc/81/43/53/1018814353.db2.gz OKYGDLKIQJHHIV-QMMMGPOBSA-N -1 0 301.295 -0.338 20 0 DBADRM COC(=O)C1(NC(=O)Cn2ccc(C(=O)[O-])n2)CCOCC1 ZINC001606352272 1018814484 /nfs/dbraw/zinc/81/44/84/1018814484.db2.gz BUOCWXLCGQNTCE-UHFFFAOYSA-N -1 0 311.294 -0.580 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1=O ZINC001606349934 1018814544 /nfs/dbraw/zinc/81/45/44/1018814544.db2.gz APVDOPQFLGTNJI-VIFPVBQESA-N -1 0 321.289 -0.791 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])CCC1 ZINC001606356387 1018815862 /nfs/dbraw/zinc/81/58/62/1018815862.db2.gz DARLLTBPXRRYCU-MRVPVSSYSA-N -1 0 323.392 -0.086 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCC(=O)OCC2CC2)c1=O ZINC001606355054 1018816769 /nfs/dbraw/zinc/81/67/69/1018816769.db2.gz CBTGELARXAHHGF-UHFFFAOYSA-N -1 0 308.290 -0.384 20 0 DBADRM COC(=O)[C@@H]1[C@H](O)CCCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001606374322 1018817389 /nfs/dbraw/zinc/81/73/89/1018817389.db2.gz ZAXZEMPNYXKATQ-BDAKNGLRSA-N -1 0 323.367 -0.575 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@H](C)n1cncn1 ZINC001606371170 1018817721 /nfs/dbraw/zinc/81/77/21/1018817721.db2.gz NJYYTSOUKCYSJD-GUBZILKMSA-N -1 0 310.310 -0.296 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)NCCC2CS(=O)(=O)C2)C1 ZINC001606376477 1018818687 /nfs/dbraw/zinc/81/86/87/1018818687.db2.gz WAHBMGDTPDIFOD-SNVBAGLBSA-N -1 0 304.368 -0.073 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cnc(C)nc1N ZINC001606384940 1018818699 /nfs/dbraw/zinc/81/86/99/1018818699.db2.gz GRYUYPYDCZQGNY-PSASIEDQSA-N -1 0 322.321 -0.154 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1Cc1nnnn1C1CC1 ZINC001606376774 1018818775 /nfs/dbraw/zinc/81/87/75/1018818775.db2.gz QZOHMUFMQLLTJK-WCBMZHEXSA-N -1 0 309.326 -0.154 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CN(C)C(C)=O ZINC001606383849 1018818829 /nfs/dbraw/zinc/81/88/29/1018818829.db2.gz KYDLLHACOFOOLQ-NXEZZACHSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cnc(C)nc1N ZINC001606384944 1018819390 /nfs/dbraw/zinc/81/93/90/1018819390.db2.gz GRYUYPYDCZQGNY-WPRPVWTQSA-N -1 0 322.321 -0.154 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1 ZINC001606377932 1018819702 /nfs/dbraw/zinc/81/97/02/1018819702.db2.gz NPHQKKLRSHDSKZ-SCVCMEIPSA-N -1 0 316.354 -0.932 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cn1cccnc1=O ZINC001606382990 1018819783 /nfs/dbraw/zinc/81/97/83/1018819783.db2.gz AGWXHAJABGMBJE-UWVGGRQHSA-N -1 0 323.305 -0.892 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1Cc1nnc2n1CCOC2 ZINC001606378057 1018820009 /nfs/dbraw/zinc/82/00/09/1018820009.db2.gz XAJPLNIDFPCLHT-VHSXEESVSA-N -1 0 324.337 -0.354 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2COCCO2)C1 ZINC001606388513 1018821155 /nfs/dbraw/zinc/82/11/55/1018821155.db2.gz NSHADMWGVVMRQU-OPRDCNLKSA-N -1 0 301.295 -0.733 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N2C[C@H](CO)[C@@H](CCO)C2)C1 ZINC001606395716 1018822079 /nfs/dbraw/zinc/82/20/79/1018822079.db2.gz OUPYOZUFCABZPO-KXNHARMFSA-N -1 0 300.355 -0.128 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N2C[C@H](CO)[C@H](CCO)C2)C1 ZINC001606395715 1018822574 /nfs/dbraw/zinc/82/25/74/1018822574.db2.gz OUPYOZUFCABZPO-KKOKHZNYSA-N -1 0 300.355 -0.128 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2ccnn2C)C1 ZINC001606392935 1018822679 /nfs/dbraw/zinc/82/26/79/1018822679.db2.gz QWLXOGORPSPVAC-GXSJLCMTSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cnncc2O)C1 ZINC001606394603 1018822786 /nfs/dbraw/zinc/82/27/86/1018822786.db2.gz PCSCNJDWXVBEFZ-IONNQARKSA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(Cc2nnc3n2CCOC3)C1 ZINC001606394456 1018823052 /nfs/dbraw/zinc/82/30/52/1018823052.db2.gz NFILAZACPOSYAD-ZJUUUORDSA-N -1 0 324.337 -0.354 20 0 DBADRM COC(=O)C1CCC(NC(=O)CCCC(N)=O)(C(=O)[O-])CC1 ZINC001606395837 1018823303 /nfs/dbraw/zinc/82/33/03/1018823303.db2.gz BMHJDJKJECQACP-UHFFFAOYSA-N -1 0 314.338 -0.055 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@@H]1C ZINC001606403060 1018823815 /nfs/dbraw/zinc/82/38/15/1018823815.db2.gz DRJXPWDYJCNFLI-KYXWUPHJSA-N -1 0 312.322 -0.624 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@H]1C ZINC001606403059 1018824842 /nfs/dbraw/zinc/82/48/42/1018824842.db2.gz DRJXPWDYJCNFLI-AATLWQCWSA-N -1 0 312.322 -0.624 20 0 DBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)C[C@H](C)CC(=O)[O-] ZINC001606425180 1018832656 /nfs/dbraw/zinc/83/26/56/1018832656.db2.gz FLVAJTXRTQSVAS-IUCAKERBSA-N -1 0 300.311 -0.671 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1c1ccnc(-c2nnn[n-]2)n1 ZINC001606409459 1018826279 /nfs/dbraw/zinc/82/62/79/1018826279.db2.gz LXMFCLGRDGAAEK-XKSSXDPKSA-N -1 0 300.326 -0.253 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2nccnc2N)[C@H](C(=O)[O-])C1 ZINC001606408222 1018826388 /nfs/dbraw/zinc/82/63/88/1018826388.db2.gz AVASNGDCMWCEKS-YUMQZZPRSA-N -1 0 308.294 -0.463 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cc(=O)[nH]cn2)[C@H](C(=O)[O-])C1 ZINC001606407671 1018827142 /nfs/dbraw/zinc/82/71/42/1018827142.db2.gz SKJMKYQLSZQZMB-APPZFPTMSA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)[C@@H](C(=O)[O-])C1 ZINC001606405529 1018827345 /nfs/dbraw/zinc/82/73/45/1018827345.db2.gz ZNBBEUPDVYKPGH-IVZWLZJFSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](CC(C)C)C(N)=O)C[C@@H]1C(=O)[O-] ZINC001606415667 1018827678 /nfs/dbraw/zinc/82/76/78/1018827678.db2.gz HVTARWAPANXPQZ-LPEHRKFASA-N -1 0 314.338 -0.534 20 0 DBADRM COC(=O)[C@H]1CCN(S(=O)(=O)C2COC2)[C@H](C(=O)[O-])C1 ZINC001606413507 1018828221 /nfs/dbraw/zinc/82/82/21/1018828221.db2.gz CPCHWFHKVWJGAT-CBAPKCEASA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)[C@@H]1CCN(Cc2nnnn2C2CC2)[C@@H](C(=O)[O-])C1 ZINC001606414512 1018828645 /nfs/dbraw/zinc/82/86/45/1018828645.db2.gz SVGXJCDKZWLTGY-PSASIEDQSA-N -1 0 309.326 -0.154 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CC(C)=NO2)C[C@@H]1C(=O)[O-] ZINC001606416485 1018829235 /nfs/dbraw/zinc/82/92/35/1018829235.db2.gz CCEZBROYURUPFL-LPEHRKFASA-N -1 0 313.310 -0.334 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CNCC(F)(F)F)C[C@H]1C(=O)[O-] ZINC001606417700 1018830038 /nfs/dbraw/zinc/83/00/38/1018830038.db2.gz ITLXAUMLKDHBJV-RNFRBKRXSA-N -1 0 312.244 -0.530 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)/C=C\c2cn(C)cn2)C[C@H]1C(=O)[O-] ZINC001606415929 1018830209 /nfs/dbraw/zinc/83/02/09/1018830209.db2.gz KCQULEWLSCIZKH-ANDSXOESSA-N -1 0 307.306 -0.235 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@@H]1C(=O)[O-] ZINC001606416361 1018830241 /nfs/dbraw/zinc/83/02/41/1018830241.db2.gz MNPCNPWOKNEYLT-AEJSXWLSSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@@H]1C(=O)[O-] ZINC001606420451 1018830916 /nfs/dbraw/zinc/83/09/16/1018830916.db2.gz UWEXGTJVFRHXPE-QWRGUYRKSA-N -1 0 309.322 -0.397 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2ncoc2C)C[C@H]1C(=O)[O-] ZINC001606420350 1018830965 /nfs/dbraw/zinc/83/09/65/1018830965.db2.gz GVJIIDBNBWJOGT-RKDXNWHRSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc[n+]([O-])c2)C[C@@H]1C(=O)[O-] ZINC001606422471 1018831776 /nfs/dbraw/zinc/83/17/76/1018831776.db2.gz MWXFGWSTCBUJRL-VHSXEESVSA-N -1 0 309.278 -0.343 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1C(=O)[O-] ZINC001606423782 1018832551 /nfs/dbraw/zinc/83/25/51/1018832551.db2.gz WBNMYKMMIDWSLR-GWOFURMSSA-N -1 0 321.333 -0.144 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H]2C[C@H](OC)C2)C[C@H]1C(=O)[O-] ZINC001606425014 1018832645 /nfs/dbraw/zinc/83/26/45/1018832645.db2.gz ZGPFFMMLJUPZAB-GWOFURMSSA-N -1 0 314.338 -0.073 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001606425869 1018832808 /nfs/dbraw/zinc/83/28/08/1018832808.db2.gz IJKFXBSBMMTAHY-ZKCHVHJHSA-N -1 0 302.294 -0.434 20 0 DBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1ccc(C(=O)[O-])n1C ZINC001606426290 1018834002 /nfs/dbraw/zinc/83/40/02/1018834002.db2.gz QLBQCNYZSZGAOF-JTQLQIEISA-N -1 0 323.305 -0.821 20 0 DBADRM COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)COCC(=O)[O-] ZINC001606429414 1018834454 /nfs/dbraw/zinc/83/44/54/1018834454.db2.gz SHABAWUXDHYPCD-LBPRGKRZSA-N -1 0 323.301 -0.080 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001606426396 1018835122 /nfs/dbraw/zinc/83/51/22/1018835122.db2.gz XPCYNDWJXUWSEM-OLQVQODUSA-N -1 0 312.311 -0.998 20 0 DBADRM COC(=O)[C@@H]1CN(CN2C[C@@H](C(F)F)CC2=O)C[C@@H]1C(=O)[O-] ZINC001606429791 1018835250 /nfs/dbraw/zinc/83/52/50/1018835250.db2.gz KWPPOEFMXGWTKI-XHNCKOQMSA-N -1 0 320.292 -0.137 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)Cn3cc(C(=O)[O-])nn3)[C@@H]2C1 ZINC001606428821 1018835536 /nfs/dbraw/zinc/83/55/36/1018835536.db2.gz GVZCTVOQGFVJFG-KYXWUPHJSA-N -1 0 322.321 -0.320 20 0 DBADRM COC(=O)C=C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606434762 1018836359 /nfs/dbraw/zinc/83/63/59/1018836359.db2.gz YYIJRJAGABUOCR-SYDCGGLASA-N -1 0 303.296 -0.496 20 0 DBADRM COC(=O)[C@H]1COCCN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606430985 1018837371 /nfs/dbraw/zinc/83/73/71/1018837371.db2.gz GEXDKZFMLHTAOS-SNVBAGLBSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)C[C@@H](NC(=O)/C=C\CN1CCOCC1)C(=O)[O-] ZINC001606438186 1018837803 /nfs/dbraw/zinc/83/78/03/1018837803.db2.gz DRZRIBULCFEDMD-MXQLGCADSA-N -1 0 300.311 -0.993 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)C1CCCC1)C(=O)[O-] ZINC001606438268 1018838282 /nfs/dbraw/zinc/83/82/82/1018838282.db2.gz FDNLECWQHDKMKL-WPRPVWTQSA-N -1 0 314.338 -0.186 20 0 DBADRM COC(=O)C[C@@H](C)CC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001606439119 1018838801 /nfs/dbraw/zinc/83/88/01/1018838801.db2.gz BOKREKCOIRNSRD-IUCAKERBSA-N -1 0 300.311 -0.671 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(c2cncc(-c3nn[nH]n3)n2)C1 ZINC001606442849 1018838834 /nfs/dbraw/zinc/83/88/34/1018838834.db2.gz YLHVXLHRGVHTBI-QMMMGPOBSA-N -1 0 324.370 -0.838 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)C1 ZINC001606441421 1018838993 /nfs/dbraw/zinc/83/89/93/1018838993.db2.gz JBDRCFXFBYYELK-SRVKXCTJSA-N -1 0 320.349 -0.261 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)C1 ZINC001606441422 1018839318 /nfs/dbraw/zinc/83/93/18/1018839318.db2.gz JBDRCFXFBYYELK-TUAOUCFPSA-N -1 0 320.349 -0.261 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(C(=O)[O-])n1 ZINC001606447466 1018840218 /nfs/dbraw/zinc/84/02/18/1018840218.db2.gz ZZKCVUJQYLPMFG-SNVBAGLBSA-N -1 0 321.289 -0.717 20 0 DBADRM COC(=O)C[C@H]1CS(=O)(=O)CCN1CC1(CC(=O)[O-])CC1 ZINC001606447485 1018840241 /nfs/dbraw/zinc/84/02/41/1018840241.db2.gz OYVUFVGQQDEADS-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001606442964 1018840255 /nfs/dbraw/zinc/84/02/55/1018840255.db2.gz DERJJVZTCGLIMC-JTQLQIEISA-N -1 0 324.289 -0.637 20 0 DBADRM COC(=O)C[C@H]1CN(S(=O)(=O)CC(C)(C)C(=O)[O-])CCO1 ZINC001606446908 1018841036 /nfs/dbraw/zinc/84/10/36/1018841036.db2.gz GMLMXHJOJUGKFI-VIFPVBQESA-N -1 0 323.367 -0.309 20 0 DBADRM COC(=O)CCCCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606453437 1018841668 /nfs/dbraw/zinc/84/16/68/1018841668.db2.gz YVMSQCVAHQDHNI-SNVBAGLBSA-N -1 0 314.338 -0.231 20 0 DBADRM COC(=O)CCCCNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001606453160 1018841795 /nfs/dbraw/zinc/84/17/95/1018841795.db2.gz OWXHCDOJTADEGA-UHFFFAOYSA-N -1 0 305.312 -0.271 20 0 DBADRM COC(=O)CCCCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001606453250 1018842664 /nfs/dbraw/zinc/84/26/64/1018842664.db2.gz SUXIBFXJMOIITE-UHFFFAOYSA-N -1 0 314.338 -0.231 20 0 DBADRM O=C(NCC=CCNC(=O)C1CCCC1)c1n[nH]c(=O)[n-]c1=O ZINC001501623192 1018842891 /nfs/dbraw/zinc/84/28/91/1018842891.db2.gz HUOMGTDOJVOBDR-ONEGZZNKSA-N -1 0 321.337 -0.125 20 0 DBADRM O=C(NCC=CCNC(=O)C1CCCC1)c1n[nH]c(=O)[n-]c1=O ZINC001501623191 1018843114 /nfs/dbraw/zinc/84/31/14/1018843114.db2.gz HUOMGTDOJVOBDR-ARJAWSKDSA-N -1 0 321.337 -0.125 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001606455428 1018843122 /nfs/dbraw/zinc/84/31/22/1018843122.db2.gz VFSRHLQKUZMFQB-DTWKUNHWSA-N -1 0 301.295 -0.290 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)C[C@@]1(C)CC1(F)F ZINC001606468518 1018844716 /nfs/dbraw/zinc/84/47/16/1018844716.db2.gz IHCCLVSGHMRPAS-SECBINFHSA-N -1 0 315.294 -0.079 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCCCCNC(C)=O ZINC001606465111 1018845004 /nfs/dbraw/zinc/84/50/04/1018845004.db2.gz VJXNLJWDUFJPIP-UHFFFAOYSA-N -1 0 302.327 -0.231 20 0 DBADRM COC(=O)COCC(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-] ZINC001606470735 1018845065 /nfs/dbraw/zinc/84/50/65/1018845065.db2.gz DXQFDZUJFPLWMD-GFCCVEGCSA-N -1 0 323.301 -0.080 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCC[C@H](C(=O)NCC(=O)[O-])C1 ZINC001606471483 1018845295 /nfs/dbraw/zinc/84/52/95/1018845295.db2.gz GJIGIDVUQDCLPR-DTWKUNHWSA-N -1 0 300.311 -0.717 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cc1cnn2c1CCCC2 ZINC001606465363 1018845396 /nfs/dbraw/zinc/84/53/96/1018845396.db2.gz ZCLOGRQFYYDDGP-UHFFFAOYSA-N -1 0 309.322 -0.152 20 0 DBADRM COC(=O)COCC(=O)NC(C)(C)c1nocc1C(=O)[O-] ZINC001606470903 1018845690 /nfs/dbraw/zinc/84/56/90/1018845690.db2.gz MWEZHTUVAMFILO-UHFFFAOYSA-N -1 0 300.267 -0.086 20 0 DBADRM COC(=O)COCC(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001606470792 1018845770 /nfs/dbraw/zinc/84/57/70/1018845770.db2.gz HRVRPYKNKVVFLP-UHFFFAOYSA-N -1 0 302.308 -0.310 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCC[C@@H](C(=O)NCC(=O)[O-])C1 ZINC001606471482 1018845834 /nfs/dbraw/zinc/84/58/34/1018845834.db2.gz GJIGIDVUQDCLPR-BDAKNGLRSA-N -1 0 300.311 -0.717 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@@]2(OCCO)CCOC2)nc1 ZINC001606472708 1018846603 /nfs/dbraw/zinc/84/66/03/1018846603.db2.gz FLGKXOFXJGGNBR-AWEZNQCLSA-N -1 0 310.306 -0.322 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001606501367 1018848006 /nfs/dbraw/zinc/84/80/06/1018848006.db2.gz VDPJFQUPFRWQKT-OIBJUYFYSA-N -1 0 311.294 -0.521 20 0 DBADRM COC(=O)NCCNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001606495173 1018848246 /nfs/dbraw/zinc/84/82/46/1018848246.db2.gz XFCLBYROMMOOPK-UHFFFAOYSA-N -1 0 317.323 -0.277 20 0 DBADRM COC(=O)N1CCC(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])CC1 ZINC001606490069 1018848256 /nfs/dbraw/zinc/84/82/56/1018848256.db2.gz SFXVLTMKUZBOGG-WDEREUQCSA-N -1 0 314.338 -0.099 20 0 DBADRM COC(=O)NCCC(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001606493798 1018848281 /nfs/dbraw/zinc/84/82/81/1018848281.db2.gz LDNWZIUGNDWXFS-MRVPVSSYSA-N -1 0 304.299 -0.545 20 0 DBADRM COC(=O)N(C)CCCC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001606486358 1018848298 /nfs/dbraw/zinc/84/82/98/1018848298.db2.gz LZOHUFQZIUHYBB-MWLCHTKSSA-N -1 0 302.327 -0.099 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)c2cnn(C[C@H](O)CO)c2)cc1 ZINC001606489090 1018848503 /nfs/dbraw/zinc/84/85/03/1018848503.db2.gz ATVCLKKPYWIJAB-ZDUSSCGKSA-N -1 0 319.317 -0.136 20 0 DBADRM COC(=O)NCCCC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001606494480 1018848788 /nfs/dbraw/zinc/84/87/88/1018848788.db2.gz APUUNSHKKGFULD-SNVBAGLBSA-N -1 0 301.343 -0.403 20 0 DBADRM COC(=O)NCCCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001606494532 1018848968 /nfs/dbraw/zinc/84/89/68/1018848968.db2.gz CXXUKROIFPWHAQ-RKDXNWHRSA-N -1 0 316.310 -0.545 20 0 DBADRM COC(=O)[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C(C)C ZINC001606506384 1018849738 /nfs/dbraw/zinc/84/97/38/1018849738.db2.gz WZRVQWZPBOWKFZ-ONGXEEELSA-N -1 0 314.338 -0.377 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)[C@H](C)C1 ZINC001606507102 1018850106 /nfs/dbraw/zinc/85/01/06/1018850106.db2.gz SRMVPRVWMNAROU-RKDXNWHRSA-N -1 0 310.310 -0.224 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cc(C(N)=O)cn1C ZINC001606505403 1018850368 /nfs/dbraw/zinc/85/03/68/1018850368.db2.gz PZHLOWGMNHVOFF-MRVPVSSYSA-N -1 0 311.294 -0.740 20 0 DBADRM COC(=O)[C@@H]1CN(CN2CCSC[C@@H](C(=O)[O-])C2)C(=O)O1 ZINC001606510942 1018851030 /nfs/dbraw/zinc/85/10/30/1018851030.db2.gz SIMUGLANTNGMPD-IUCAKERBSA-N -1 0 318.351 -0.313 20 0 DBADRM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C2 ZINC001606515701 1018851076 /nfs/dbraw/zinc/85/10/76/1018851076.db2.gz CSLKUYDSTXLKDU-UJVNDKKSSA-N -1 0 308.294 -0.566 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N[C@]2(CC(=O)[O-])CCOC2)C[C@H]1C ZINC001606514328 1018851094 /nfs/dbraw/zinc/85/10/94/1018851094.db2.gz JLVFQCWXDZKZCJ-FTBFGRRBSA-N -1 0 315.322 -0.297 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001606519143 1018851255 /nfs/dbraw/zinc/85/12/55/1018851255.db2.gz BBRYHPMTXNPQFB-QEYWKRMJSA-N -1 0 321.351 -0.558 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001606519457 1018851409 /nfs/dbraw/zinc/85/14/09/1018851409.db2.gz IENBWAMLXABIHT-OPRDCNLKSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)[C@H](C)NC(=O)c1cccc(C(=O)N[C@@H](C)C(=O)[O-])n1 ZINC001606515655 1018851473 /nfs/dbraw/zinc/85/14/73/1018851473.db2.gz ASQYQMNCRAKLBC-YUMQZZPRSA-N -1 0 323.305 -0.424 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])C1 ZINC001606520055 1018851480 /nfs/dbraw/zinc/85/14/80/1018851480.db2.gz VSKXIYORGWVFDU-KXUCPTDWSA-N -1 0 315.322 -0.092 20 0 DBADRM COC(=O)[C@H](C)NC(=O)C[C@H](C)CC(=O)N[C@@H](C)C(=O)[O-] ZINC001606516040 1018851572 /nfs/dbraw/zinc/85/15/72/1018851572.db2.gz OWAUICPCFACEFR-VGMNWLOBSA-N -1 0 302.327 -0.330 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC001606518858 1018851718 /nfs/dbraw/zinc/85/17/18/1018851718.db2.gz BYZKUCVPBLPFOT-DOLQZWNJSA-N -1 0 312.322 -0.767 20 0 DBADRM COC(=O)[C@H]1CC(F)(F)CN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001606515404 1018851744 /nfs/dbraw/zinc/85/17/44/1018851744.db2.gz OGQLYOWIVWWLSE-MRVPVSSYSA-N -1 0 317.248 -0.010 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001606519575 1018851858 /nfs/dbraw/zinc/85/18/58/1018851858.db2.gz PLUQRKLTHWLTIV-QEYWKRMJSA-N -1 0 300.311 -0.179 20 0 DBADRM COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC001606511327 1018851907 /nfs/dbraw/zinc/85/19/07/1018851907.db2.gz VCNQJQPXBSTWLW-HBNTYKKESA-N -1 0 315.322 -0.343 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)on1 ZINC001606535158 1018852388 /nfs/dbraw/zinc/85/23/88/1018852388.db2.gz UXOYAIAXHKNZGN-SNVBAGLBSA-N -1 0 312.278 -0.241 20 0 DBADRM COC(=O)c1c[nH]c(C(=O)[O-])c1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001606527553 1018852578 /nfs/dbraw/zinc/85/25/78/1018852578.db2.gz MKTDLFAOSQOQNS-LURJTMIESA-N -1 0 309.278 -0.084 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN2C[C@@H]3C[C@H]2C[S@@]3=O)n1 ZINC001606536931 1018853117 /nfs/dbraw/zinc/85/31/17/1018853117.db2.gz QOXLOIIZFSGUGB-KLBQYZOKSA-N -1 0 313.335 -0.469 20 0 DBADRM COC(=O)c1cc(C(=O)NCC(=O)NCC(=O)[O-])ccc1C ZINC001606533371 1018853503 /nfs/dbraw/zinc/85/35/03/1018853503.db2.gz PNUHRMPRQGDMHR-UHFFFAOYSA-N -1 0 308.290 -0.288 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)C1 ZINC001606520329 1018853610 /nfs/dbraw/zinc/85/36/10/1018853610.db2.gz YOBAXFQUJKUGFU-XKNYDFJKSA-N -1 0 312.322 -0.624 20 0 DBADRM O=C(CN1CSCC1=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001606550908 1018853894 /nfs/dbraw/zinc/85/38/94/1018853894.db2.gz MFXRJBNIEFWTPC-UHFFFAOYSA-N -1 0 320.334 -0.190 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)N(C)CCO)ccc1C(=O)[O-] ZINC001606548475 1018853949 /nfs/dbraw/zinc/85/39/49/1018853949.db2.gz XPPSWEJJSVXEMM-UHFFFAOYSA-N -1 0 324.289 -0.439 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NC[C@@H]2CCC(=O)N2)c1 ZINC001606560612 1018855004 /nfs/dbraw/zinc/85/50/04/1018855004.db2.gz AXLZTVRDZWPSBE-QMMMGPOBSA-N -1 0 306.278 -0.887 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C)C=CC(=O)[O-])n[nH]1 ZINC001606564987 1018855208 /nfs/dbraw/zinc/85/52/08/1018855208.db2.gz UIOSFWCEATUEMO-FCJGRKLLSA-N -1 0 303.296 -0.496 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1CCN([C@@H]2CCOC2=O)CC1 ZINC001606566958 1018855316 /nfs/dbraw/zinc/85/53/16/1018855316.db2.gz YCBQZIKLFDPVTA-QJPTWQEYSA-N -1 0 310.350 -0.007 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C=CC(=O)[O-])n[nH]1 ZINC001606564990 1018855325 /nfs/dbraw/zinc/85/53/25/1018855325.db2.gz UIOSFWCEATUEMO-YUDCMIJISA-N -1 0 303.296 -0.496 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NN2C(=O)c3ccccc3C2=O)CCCO1 ZINC001606566542 1018855826 /nfs/dbraw/zinc/85/58/26/1018855826.db2.gz OIJNPSDMHRFDQD-AWEZNQCLSA-N -1 0 304.258 -0.052 20 0 DBADRM O=C([O-])C1(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CCOCC1 ZINC001606560503 1018855985 /nfs/dbraw/zinc/85/59/85/1018855985.db2.gz WGXSCAUDHPFIHR-GHMZBOCLSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)CC=CCC1 ZINC001606568948 1018856011 /nfs/dbraw/zinc/85/60/11/1018856011.db2.gz DFBNUBQZEMRSKD-MEBBXXQBSA-N -1 0 308.334 -0.493 20 0 DBADRM O=C([O-])C1(C(=O)O[C@@H]2CCC(=O)NC2=O)CCSCC1 ZINC001606559054 1018856118 /nfs/dbraw/zinc/85/61/18/1018856118.db2.gz FVJGDTCTBQWHTN-SSDOTTSWSA-N -1 0 301.320 -0.067 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)cc1)N[C@H](CO)c1ncc[nH]1 ZINC001606591990 1018856666 /nfs/dbraw/zinc/85/66/66/1018856666.db2.gz HFQLIDYGXIWCAI-LLVKDONJSA-N -1 0 313.321 -0.018 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)NC[C@H]1COCCO1 ZINC001606575778 1018856704 /nfs/dbraw/zinc/85/67/04/1018856704.db2.gz OEYDHCINPRBMKZ-LBPRGKRZSA-N -1 0 319.321 -0.223 20 0 DBADRM COC(=O)c1ccc(CN2CCC[C@H]2C(=O)NCC(=O)[O-])[nH]1 ZINC001606588059 1018856773 /nfs/dbraw/zinc/85/67/73/1018856773.db2.gz KUWLNEPMLKWMSW-NSHDSACASA-N -1 0 309.322 -0.034 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])cn1 ZINC001606572557 1018857211 /nfs/dbraw/zinc/85/72/11/1018857211.db2.gz QQUKLIKDRZUCBV-JTQLQIEISA-N -1 0 321.289 -0.764 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)NN1CCOC1=O ZINC001606577827 1018857249 /nfs/dbraw/zinc/85/72/49/1018857249.db2.gz YCJJDOKOLXGMBK-UHFFFAOYSA-N -1 0 304.266 -0.271 20 0 DBADRM O=C([O-])c1ccccc1CC(=O)N1CC2(C1)NC(=O)NC2=O ZINC001606569601 1018857485 /nfs/dbraw/zinc/85/74/85/1018857485.db2.gz MSTSXRWYHUUIDY-UHFFFAOYSA-N -1 0 303.274 -0.652 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)cc1)N[C@@]1(C(=O)[O-])CCOC1 ZINC001606592428 1018857580 /nfs/dbraw/zinc/85/75/80/1018857580.db2.gz WXAYJURUUKCFQH-AWEZNQCLSA-N -1 0 317.305 -0.231 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001606615230 1018858567 /nfs/dbraw/zinc/85/85/67/1018858567.db2.gz LJUHKYIMQNZHEC-RNLVFQAGSA-N -1 0 317.309 -0.956 20 0 DBADRM COC(=O)c1ccccc1NC(=O)CN[C@@](C)(CO)C(=O)[O-] ZINC001606618990 1018858583 /nfs/dbraw/zinc/85/85/83/1018858583.db2.gz JFJKSSCNATYFHH-AWEZNQCLSA-N -1 0 310.306 -0.163 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NC1CCCC1 ZINC001606615464 1018858704 /nfs/dbraw/zinc/85/87/04/1018858704.db2.gz VBPCMTJERYLANT-UHFFFAOYSA-N -1 0 305.298 -0.812 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN2C[C@@H](O)C[C@H]2C(=O)[O-])c1 ZINC001606614451 1018858847 /nfs/dbraw/zinc/85/88/47/1018858847.db2.gz SLQZLSFXKQYGLO-RYUDHWBXSA-N -1 0 322.317 -0.069 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001606615016 1018858990 /nfs/dbraw/zinc/85/89/90/1018858990.db2.gz DFJFKHGQDBDYSU-UHFFFAOYSA-N -1 0 320.244 -0.353 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1nccn1C(F)F ZINC001606623630 1018860211 /nfs/dbraw/zinc/86/02/11/1018860211.db2.gz UZSCFJRVTPGBNN-UHFFFAOYSA-N -1 0 324.255 -0.634 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC(=O)NC1CCCCC1 ZINC001606620667 1018861089 /nfs/dbraw/zinc/86/10/89/1018861089.db2.gz MFUXFWPULZJZOL-UHFFFAOYSA-N -1 0 319.329 -0.383 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001606636976 1018862091 /nfs/dbraw/zinc/86/20/91/1018862091.db2.gz OULFGWCFYPQAPE-HTQZYQBOSA-N -1 0 312.278 -0.185 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001606625749 1018862581 /nfs/dbraw/zinc/86/25/81/1018862581.db2.gz NSVJFOWMECBYPY-RNFRBKRXSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)c1coc(/C=C\C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001606630251 1018862794 /nfs/dbraw/zinc/86/27/94/1018862794.db2.gz FHKUCPIFVGVKDB-IHWYPQMZSA-N -1 0 310.262 -0.604 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC001606636825 1018862866 /nfs/dbraw/zinc/86/28/66/1018862866.db2.gz JEFZGKSWEWGMDK-SNVBAGLBSA-N -1 0 312.278 -0.043 20 0 DBADRM CO[C@](C)(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)C1CC1 ZINC001606651985 1018863478 /nfs/dbraw/zinc/86/34/78/1018863478.db2.gz NCLQVMBPEOFWPQ-TVYUQYBPSA-N -1 0 319.379 -0.194 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC001606652728 1018863778 /nfs/dbraw/zinc/86/37/78/1018863778.db2.gz GVXGEVQWBZSDPJ-RNCFNFMXSA-N -1 0 302.327 -0.517 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@H](Nc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001606659809 1018863809 /nfs/dbraw/zinc/86/38/09/1018863809.db2.gz SRJRRGQLUJWRNR-WPRPVWTQSA-N -1 0 308.338 -0.062 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001606659886 1018864347 /nfs/dbraw/zinc/86/43/47/1018864347.db2.gz UKBDFIGJFSSLIV-GUBZILKMSA-N -1 0 308.338 -0.062 20 0 DBADRM CO[C@@H](C)C(=O)N(CCO)CCNc1ncc(C(=O)[O-])cn1 ZINC001606658975 1018864536 /nfs/dbraw/zinc/86/45/36/1018864536.db2.gz FYZGZGGPENLBNI-VIFPVBQESA-N -1 0 312.326 -0.558 20 0 DBADRM COC(C)(C)CC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001606657228 1018864658 /nfs/dbraw/zinc/86/46/58/1018864658.db2.gz VFKGASHJMQANFU-UHFFFAOYSA-N -1 0 307.368 -0.050 20 0 DBADRM CO[C@@]1(C(=O)NCCn2cc(C(=O)[O-])nn2)CCSC1 ZINC001606690239 1018866885 /nfs/dbraw/zinc/86/68/85/1018866885.db2.gz BVBIDSDRGZEFGA-NSHDSACASA-N -1 0 300.340 -0.385 20 0 DBADRM CO[C@H](CC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-])C(F)(F)F ZINC001606671032 1018865107 /nfs/dbraw/zinc/86/51/07/1018865107.db2.gz VNWXETUYZMKLOW-NKWVEPMBSA-N -1 0 312.244 -0.292 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001606673447 1018865158 /nfs/dbraw/zinc/86/51/58/1018865158.db2.gz KTUSZQHYOAMLBC-GWOFURMSSA-N -1 0 314.338 -0.867 20 0 DBADRM COC(CN(CCC(=O)[O-])S(=O)(=O)c1cn(C)cn1)OC ZINC001606674527 1018865165 /nfs/dbraw/zinc/86/51/65/1018865165.db2.gz LKNRYLPJYXWIBU-UHFFFAOYSA-N -1 0 321.355 -0.496 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)C1CC1 ZINC001606681219 1018865187 /nfs/dbraw/zinc/86/51/87/1018865187.db2.gz LMBNFNQWTLQVJB-VXGBXAGGSA-N -1 0 321.395 -0.101 20 0 DBADRM CO[C@H](C)CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001606661512 1018865207 /nfs/dbraw/zinc/86/52/07/1018865207.db2.gz NZJANTPAESDGOE-RKDXNWHRSA-N -1 0 308.356 -0.984 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)c1cn(C)ccc1=O)OC ZINC001606675087 1018865385 /nfs/dbraw/zinc/86/53/85/1018865385.db2.gz ZSTCRZUUQKWGQJ-UHFFFAOYSA-N -1 0 312.322 -0.079 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001606673450 1018865449 /nfs/dbraw/zinc/86/54/49/1018865449.db2.gz KTUSZQHYOAMLBC-UKKRHICBSA-N -1 0 314.338 -0.867 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@@H]1CCC(=O)NC1)OC ZINC001606669507 1018865477 /nfs/dbraw/zinc/86/54/77/1018865477.db2.gz XBXDYLUTXUPGTL-SECBINFHSA-N -1 0 302.327 -0.565 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001606661511 1018865537 /nfs/dbraw/zinc/86/55/37/1018865537.db2.gz NZJANTPAESDGOE-IUCAKERBSA-N -1 0 308.356 -0.984 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)Cc1cnnn1C)OC ZINC001606669749 1018865763 /nfs/dbraw/zinc/86/57/63/1018865763.db2.gz YPSGLYFYDINDBV-UHFFFAOYSA-N -1 0 300.315 -0.720 20 0 DBADRM COC(COCCNC(=O)Cn1ccc(C(=O)[O-])n1)OC ZINC001606681161 1018865865 /nfs/dbraw/zinc/86/58/65/1018865865.db2.gz KVTQSRPNNVBVNJ-UHFFFAOYSA-N -1 0 301.299 -0.667 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001606673452 1018865950 /nfs/dbraw/zinc/86/59/50/1018865950.db2.gz KTUSZQHYOAMLBC-ZNSHCXBVSA-N -1 0 314.338 -0.867 20 0 DBADRM CO[C@H](C)CS(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001606661509 1018865961 /nfs/dbraw/zinc/86/59/61/1018865961.db2.gz NZJANTPAESDGOE-BDAKNGLRSA-N -1 0 308.356 -0.984 20 0 DBADRM COC1(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])CS(=O)(=O)C1 ZINC001606690362 1018866758 /nfs/dbraw/zinc/86/67/58/1018866758.db2.gz LBSSRUXTXNBIHO-SKDRFNHKSA-N -1 0 319.379 -0.050 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@@H](CCF)C(=O)[O-])[C@@H]1CCOC1 ZINC001606683556 1018867012 /nfs/dbraw/zinc/86/70/12/1018867012.db2.gz WCLVAFXNPFSXQG-KXUCPTDWSA-N -1 0 313.347 -0.230 20 0 DBADRM COC1(C(=O)N2CCSC[C@@H]2CC(=O)[O-])CS(=O)(=O)C1 ZINC001606689015 1018867534 /nfs/dbraw/zinc/86/75/34/1018867534.db2.gz QIBURVWWAMUVIS-QMMMGPOBSA-N -1 0 323.392 -0.781 20 0 DBADRM COC1(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])CS(=O)(=O)C1 ZINC001606690360 1018867608 /nfs/dbraw/zinc/86/76/08/1018867608.db2.gz LBSSRUXTXNBIHO-CABZTGNLSA-N -1 0 319.379 -0.050 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2cccnc2C)C1 ZINC001606696383 1018867980 /nfs/dbraw/zinc/86/79/80/1018867980.db2.gz KZKNJGMCVHSNGX-OAHLLOKOSA-N -1 0 321.333 -0.292 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC001606692637 1018868169 /nfs/dbraw/zinc/86/81/69/1018868169.db2.gz ZIUJUHYPVRXBOW-RGNHYFCHSA-N -1 0 318.276 -0.588 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOC(C)(C)C2)C1 ZINC001606691884 1018868243 /nfs/dbraw/zinc/86/82/43/1018868243.db2.gz SAMDZGFTPYZYIX-AWEZNQCLSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC001606692676 1018868343 /nfs/dbraw/zinc/86/83/43/1018868343.db2.gz ZIUJUHYPVRXBOW-SXMVTHIZSA-N -1 0 318.276 -0.588 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@H]2CC[C@@H](C)O2)C1 ZINC001606691281 1018868587 /nfs/dbraw/zinc/86/85/87/1018868587.db2.gz KXLCOYCPIGFBGW-GPCCPHFNSA-N -1 0 314.338 -0.628 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCCCN2CCOC2=O)C1 ZINC001606699215 1018869735 /nfs/dbraw/zinc/86/97/35/1018869735.db2.gz QHDKFKDUTJKYGZ-CYBMUJFWSA-N -1 0 315.326 -0.286 20 0 DBADRM O=C(NC[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)C1CC1)C1CC1 ZINC001606702077 1018870085 /nfs/dbraw/zinc/87/00/85/1018870085.db2.gz WQDFBKHIGHURCV-SNVBAGLBSA-N -1 0 314.353 -0.205 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)Nc2nc(C(N)=O)cs2)C1 ZINC001606700599 1018870096 /nfs/dbraw/zinc/87/00/96/1018870096.db2.gz UNQPPBOYNHJOMO-NSHDSACASA-N -1 0 314.323 -0.051 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CCCCCNC(N)=O)C1 ZINC001606697438 1018870117 /nfs/dbraw/zinc/87/01/17/1018870117.db2.gz MZIUGXQRLNKRFQ-ZDUSSCGKSA-N -1 0 301.343 -0.083 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nccc(S(C)(=O)=O)n2)C1 ZINC001606706787 1018871057 /nfs/dbraw/zinc/87/10/57/1018871057.db2.gz RINVAFHMGPUAKV-LLVKDONJSA-N -1 0 301.324 -0.440 20 0 DBADRM COC1([C@@H](C)NC(=O)NCCOCC(=O)[O-])CCOCC1 ZINC001606708217 1018871206 /nfs/dbraw/zinc/87/12/06/1018871206.db2.gz HSSFGGIEUDWLOF-SNVBAGLBSA-N -1 0 304.343 -0.029 20 0 DBADRM COC1(CNC(=O)C(=O)NCCCCC(=O)[O-])CCOCC1 ZINC001606717081 1018871420 /nfs/dbraw/zinc/87/14/20/1018871420.db2.gz NQOFWYRGUJTNOT-UHFFFAOYSA-N -1 0 316.354 -0.331 20 0 DBADRM COC1([C@@H](C(=O)[O-])N(C)CC(=O)N2CCN(C)CC2)CCC1 ZINC001606708586 1018871427 /nfs/dbraw/zinc/87/14/27/1018871427.db2.gz OCYOOGFQUHZJSZ-CYBMUJFWSA-N -1 0 313.398 -0.286 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)CCOC1 ZINC001606713967 1018871857 /nfs/dbraw/zinc/87/18/57/1018871857.db2.gz CIKQFMHOKOVFIP-BHDSKKPTSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@]1(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CCSC1 ZINC001606717097 1018871814 /nfs/dbraw/zinc/87/18/14/1018871814.db2.gz OAWZPVAWMAJXJZ-BREBYQMCSA-N -1 0 318.395 -0.015 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2CCc2cccnc2)C1 ZINC001606707036 1018872116 /nfs/dbraw/zinc/87/21/16/1018872116.db2.gz UMHLGZIVCSXJLQ-CQSZACIVSA-N -1 0 318.337 -0.009 20 0 DBADRM O=C(Cc1ccoc1)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001501774215 1018872311 /nfs/dbraw/zinc/87/23/11/1018872311.db2.gz ZKKMEWCFMZTNFP-NSHDSACASA-N -1 0 321.337 -0.337 20 0 DBADRM CO[C@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C12CCC2 ZINC001606723645 1018872927 /nfs/dbraw/zinc/87/29/27/1018872927.db2.gz WJYDVKONHUCZQU-NAKRPEOUSA-N -1 0 310.350 -0.103 20 0 DBADRM COC1(c2cnnn2C)CN(C(=O)c2ccc(C(=O)[O-])[nH]2)C1 ZINC001606724494 1018873037 /nfs/dbraw/zinc/87/30/37/1018873037.db2.gz LQRUZGOGYINJPP-UHFFFAOYSA-N -1 0 305.294 -0.161 20 0 DBADRM COC1(Cn2nnnc2N2CC[C@@](OC)(C(=O)[O-])C2)CCC1 ZINC001606722666 1018873123 /nfs/dbraw/zinc/87/31/23/1018873123.db2.gz KFVLGSFSPCWACR-ZDUSSCGKSA-N -1 0 311.342 -0.078 20 0 DBADRM CO[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)C1 ZINC001606748435 1018873243 /nfs/dbraw/zinc/87/32/43/1018873243.db2.gz IJXYSRPOGBCRTN-SNVBAGLBSA-N -1 0 324.337 -0.148 20 0 DBADRM COC1(OC)CC(Cn2nnnc2N2CC[C@H](C(=O)[O-])C2)C1 ZINC001606722338 1018873266 /nfs/dbraw/zinc/87/32/66/1018873266.db2.gz GOVVVXURSSMTHC-JTQLQIEISA-N -1 0 311.342 -0.017 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2cn(C)nn2)c1[O-] ZINC001501782381 1018873463 /nfs/dbraw/zinc/87/34/63/1018873463.db2.gz TXBKJMYJFBAEMW-ARJAWSKDSA-N -1 0 319.325 -0.732 20 0 DBADRM COC1(CS(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)CCC1 ZINC001606721087 1018873652 /nfs/dbraw/zinc/87/36/52/1018873652.db2.gz UBNUQQFZPMHGAW-UHFFFAOYSA-N -1 0 307.368 -0.203 20 0 DBADRM CO[C@@H]1CCN(Cc2nnc3c(=O)n(C)ccn23)[C@@H](C(=O)[O-])C1 ZINC001606762490 1018874373 /nfs/dbraw/zinc/87/43/73/1018874373.db2.gz ZWXASOLRQHUNQH-NXEZZACHSA-N -1 0 321.337 -0.508 20 0 DBADRM CO[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)[C@](C)(C(=O)[O-])C1 ZINC001606762861 1018874396 /nfs/dbraw/zinc/87/43/96/1018874396.db2.gz FYQJJZHRBKRUEO-BONVTDFDSA-N -1 0 321.333 -0.186 20 0 DBADRM COCC(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(C(=O)[O-])n1 ZINC001606774796 1018874570 /nfs/dbraw/zinc/87/45/70/1018874570.db2.gz ZWFSJKDFYCBYOP-ZJUUUORDSA-N -1 0 308.338 -0.060 20 0 DBADRM COCC(=O)NCCC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001606774167 1018874644 /nfs/dbraw/zinc/87/46/44/1018874644.db2.gz HPDHQCBJSDLMRH-NXEZZACHSA-N -1 0 302.327 -0.722 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001501782773 1018874724 /nfs/dbraw/zinc/87/47/24/1018874724.db2.gz ZXMDOKHUWZRQCO-FLBPTNPYSA-N -1 0 320.349 -0.282 20 0 DBADRM COCC(=O)N(C)CC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001606771537 1018874667 /nfs/dbraw/zinc/87/46/67/1018874667.db2.gz HFPAHYXCKSTGKA-UHFFFAOYSA-N -1 0 310.310 -0.862 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001606772358 1018874676 /nfs/dbraw/zinc/87/46/76/1018874676.db2.gz VHLWXMTVKABJGC-DDHJBXDOSA-N -1 0 316.354 -0.485 20 0 DBADRM COCC(=O)N(C)CC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC001606771235 1018874931 /nfs/dbraw/zinc/87/49/31/1018874931.db2.gz BWCJDWJLCKQBRK-UWVGGRQHSA-N -1 0 302.327 -0.818 20 0 DBADRM COCC(=O)NCCC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001606774080 1018875044 /nfs/dbraw/zinc/87/50/44/1018875044.db2.gz DJZMBJSKERUYLX-QWRGUYRKSA-N -1 0 316.354 -0.475 20 0 DBADRM COCC(=O)NC1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001606774182 1018875431 /nfs/dbraw/zinc/87/54/31/1018875431.db2.gz ICOPLARPXSRHFG-HOMQSWHASA-N -1 0 313.354 -0.214 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001606772961 1018875483 /nfs/dbraw/zinc/87/54/83/1018875483.db2.gz ZEIHPNFJGSGYSP-NXEZZACHSA-N -1 0 302.327 -0.770 20 0 DBADRM COCC(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(C(=O)[O-])n1 ZINC001606774793 1018875603 /nfs/dbraw/zinc/87/56/03/1018875603.db2.gz ZWFSJKDFYCBYOP-NXEZZACHSA-N -1 0 308.338 -0.060 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001606779411 1018876368 /nfs/dbraw/zinc/87/63/68/1018876368.db2.gz PEHYGOVEDKPSBO-ZDUSSCGKSA-N -1 0 313.310 -0.265 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001606781066 1018876680 /nfs/dbraw/zinc/87/66/80/1018876680.db2.gz YRXJOBDFQMZHLR-UHFFFAOYSA-N -1 0 311.309 -0.685 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001606797077 1018878166 /nfs/dbraw/zinc/87/81/66/1018878166.db2.gz FEJXPOIVVSBFGM-MRVPVSSYSA-N -1 0 312.326 -0.387 20 0 DBADRM COC[C@](C)(NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-] ZINC001606791050 1018878393 /nfs/dbraw/zinc/87/83/93/1018878393.db2.gz DNSIRUFPTFEXAC-NSHDSACASA-N -1 0 311.356 -0.405 20 0 DBADRM COC[C@@H](C)CNC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001606797078 1018878451 /nfs/dbraw/zinc/87/84/51/1018878451.db2.gz FEJXPOIVVSBFGM-QMMMGPOBSA-N -1 0 312.326 -0.387 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001606798618 1018878699 /nfs/dbraw/zinc/87/86/99/1018878699.db2.gz QYVMETIZYAZZGH-BDAKNGLRSA-N -1 0 308.356 -0.984 20 0 DBADRM COC[C@@](C)(NC(=O)C1CC2(C1)CS(=O)(=O)C2)C(=O)[O-] ZINC001606788009 1018878924 /nfs/dbraw/zinc/87/89/24/1018878924.db2.gz OOIGDDJXVSYISM-LLVKDONJSA-N -1 0 305.352 -0.583 20 0 DBADRM COC[C@@](C)(NCC(=O)N1CCC[C@H](NC(C)=O)C1)C(=O)[O-] ZINC001606790697 1018878948 /nfs/dbraw/zinc/87/89/48/1018878948.db2.gz DDMOYCXKEJDAGF-SMDDNHRTSA-N -1 0 315.370 -0.807 20 0 DBADRM COC[C@H](CS(=O)(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)OC ZINC001606804996 1018879241 /nfs/dbraw/zinc/87/92/41/1018879241.db2.gz RXBXOGHBUABSET-BTQIBKBOSA-N -1 0 307.368 -0.180 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccc(F)nc1 ZINC001606802683 1018879274 /nfs/dbraw/zinc/87/92/74/1018879274.db2.gz PBHUYZCLISMGDR-UHFFFAOYSA-N -1 0 303.261 -0.578 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-])OC ZINC001606800182 1018879415 /nfs/dbraw/zinc/87/94/15/1018879415.db2.gz FCEZVLRXHQDZHV-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM COC[C@H](CCO)NS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001606800580 1018879464 /nfs/dbraw/zinc/87/94/64/1018879464.db2.gz NKVIHGOOJDUCTL-JTQLQIEISA-N -1 0 309.384 -0.052 20 0 DBADRM COC[C@H](CO)NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC001606804988 1018879538 /nfs/dbraw/zinc/87/95/38/1018879538.db2.gz RMCQUVYCDWEHMB-VIFPVBQESA-N -1 0 312.322 -0.110 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001606802996 1018879667 /nfs/dbraw/zinc/87/96/67/1018879667.db2.gz PRBUYOOQGLBPGK-IVZWLZJFSA-N -1 0 317.357 -0.054 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cnoc1C1CC1 ZINC001606803222 1018880740 /nfs/dbraw/zinc/88/07/40/1018880740.db2.gz ZOFHTADUCIIXAM-UHFFFAOYSA-N -1 0 315.297 -0.246 20 0 DBADRM COC[C@@H](NC(=O)NCCOCC(=O)[O-])[C@H]1CCCOC1 ZINC001606807750 1018881664 /nfs/dbraw/zinc/88/16/64/1018881664.db2.gz QFFWAPFTCDXLIX-WDEREUQCSA-N -1 0 304.343 -0.172 20 0 DBADRM O=C(Cc1ccco1)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001501833728 1018881580 /nfs/dbraw/zinc/88/15/80/1018881580.db2.gz ATAPVMBKQWRZMS-SNVBAGLBSA-N -1 0 321.337 -0.337 20 0 DBADRM COC[C@@H](NC(=O)Cn1cc(Br)cn1)C(=O)[O-] ZINC001606811400 1018882020 /nfs/dbraw/zinc/88/20/20/1018882020.db2.gz ZKDYRNDYTSRCDE-SSDOTTSWSA-N -1 0 306.116 -0.139 20 0 DBADRM COC[C@@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)[O-] ZINC001606813240 1018882072 /nfs/dbraw/zinc/88/20/72/1018882072.db2.gz QXNZLDVKIBVXBV-SNVBAGLBSA-N -1 0 316.335 -0.696 20 0 DBADRM COC[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCCC1)C(N)=O ZINC001606816212 1018882108 /nfs/dbraw/zinc/88/21/08/1018882108.db2.gz RKCAYUVTAJYALX-VIFPVBQESA-N -1 0 322.383 -0.559 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)C(N)=O ZINC001606816078 1018882161 /nfs/dbraw/zinc/88/21/61/1018882161.db2.gz MHSUKYDPSOFHQF-VIFPVBQESA-N -1 0 320.298 -0.698 20 0 DBADRM COC[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)[C@H]1CCCOC1 ZINC001606809000 1018882255 /nfs/dbraw/zinc/88/22/55/1018882255.db2.gz DUVVZOVDDIEKFD-ONGXEEELSA-N -1 0 312.326 -0.466 20 0 DBADRM COCC[C@@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(N)=O ZINC001606858763 1018889332 /nfs/dbraw/zinc/88/93/32/1018889332.db2.gz BUIDUEIBRISUBG-HRDYMLBCSA-N -1 0 308.356 -0.951 20 0 DBADRM COC[C@H](O)CCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001606819090 1018883593 /nfs/dbraw/zinc/88/35/93/1018883593.db2.gz QSNDDSSZLGIACX-GFCCVEGCSA-N -1 0 324.333 -0.234 20 0 DBADRM COC[C@@]1(C(=O)OC)CCCN1Cc1cn(CC(=O)[O-])nn1 ZINC001606834169 1018884350 /nfs/dbraw/zinc/88/43/50/1018884350.db2.gz CGVPOXAERWVDNC-CYBMUJFWSA-N -1 0 312.326 -0.483 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CCN1CCOCC1 ZINC001606828973 1018884726 /nfs/dbraw/zinc/88/47/26/1018884726.db2.gz CJULEHZDXRADJT-CQSZACIVSA-N -1 0 300.355 -0.199 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1c1nnnn1C[C@H]1CCCO1 ZINC001606833818 1018885204 /nfs/dbraw/zinc/88/52/04/1018885204.db2.gz ATCGBHHZAILOBA-ZWNOBZJWSA-N -1 0 311.342 -0.078 20 0 DBADRM COC[C@@]1(CO)CCN(S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001606841262 1018885828 /nfs/dbraw/zinc/88/58/28/1018885828.db2.gz VGWTWBNFZWHKNW-LBPRGKRZSA-N -1 0 319.335 -0.003 20 0 DBADRM COCC1(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)CCC1 ZINC001606842187 1018886786 /nfs/dbraw/zinc/88/67/86/1018886786.db2.gz AMVYOFZXSHHMDA-UHFFFAOYSA-N -1 0 307.368 -0.203 20 0 DBADRM COCC1(O)CN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001606842910 1018886988 /nfs/dbraw/zinc/88/69/88/1018886988.db2.gz XSHMMAYMOLSARP-UWVGGRQHSA-N -1 0 307.368 -0.347 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC001606847450 1018887335 /nfs/dbraw/zinc/88/73/35/1018887335.db2.gz BTGKQEIKSMQKAI-GWOFURMSSA-N -1 0 314.338 -0.772 20 0 DBADRM COCCC(=O)N[C@H]1C[C@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001606851320 1018887786 /nfs/dbraw/zinc/88/77/86/1018887786.db2.gz RVYWCIKSFOGUEA-MGCOHNPYSA-N -1 0 308.338 -0.060 20 0 DBADRM COC[C@H]1COCCN1C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606849539 1018887893 /nfs/dbraw/zinc/88/78/93/1018887893.db2.gz IAOWBGRYELEHGX-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@@H]1COCCN1S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001606849856 1018887937 /nfs/dbraw/zinc/88/79/37/1018887937.db2.gz KKFNDJAHXOTNQM-MRVPVSSYSA-N -1 0 319.339 -0.548 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001606852638 1018888053 /nfs/dbraw/zinc/88/80/53/1018888053.db2.gz PMJMPSMWAUUJFO-ONGXEEELSA-N -1 0 309.384 -0.101 20 0 DBADRM COCC[C@](C)(O)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606852095 1018888070 /nfs/dbraw/zinc/88/80/70/1018888070.db2.gz AVCPVVNVWHCALU-YGRLFVJLSA-N -1 0 316.354 -0.787 20 0 DBADRM COCC[C@@H](C)CNC(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001606852713 1018888202 /nfs/dbraw/zinc/88/82/02/1018888202.db2.gz ROCBDAURRVCNCM-QMTHXVAHSA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CCO1 ZINC001606847567 1018888227 /nfs/dbraw/zinc/88/82/27/1018888227.db2.gz GYLDRRQUQQFYJK-HZMBPMFUSA-N -1 0 314.338 -0.817 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001606852648 1018888369 /nfs/dbraw/zinc/88/83/69/1018888369.db2.gz PTIAGGGNWGOCEP-ZJUUUORDSA-N -1 0 322.383 -0.594 20 0 DBADRM COCC[C@@H](NC(=O)c1nnn(-c2ccn(C)n2)c1C)C(=O)[O-] ZINC001606858809 1018888797 /nfs/dbraw/zinc/88/87/97/1018888797.db2.gz DBRYBJKZCYGNKK-SECBINFHSA-N -1 0 322.325 -0.471 20 0 DBADRM COCC[C@H](COC)N1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC001606855542 1018888968 /nfs/dbraw/zinc/88/89/68/1018888968.db2.gz IPANHFUREPLQAX-KYXWUPHJSA-N -1 0 300.311 -0.321 20 0 DBADRM COCC[C@@H](NS(=O)(=O)C1(C(=O)OC)CCC1)C(=O)[O-] ZINC001606859691 1018889087 /nfs/dbraw/zinc/88/90/87/1018889087.db2.gz URWGFKFPVIKEIB-MRVPVSSYSA-N -1 0 309.340 -0.509 20 0 DBADRM COCC[C@]1(NC(=O)Cn2cccc(C(=O)[O-])c2=O)CCOC1 ZINC001606866981 1018889218 /nfs/dbraw/zinc/88/92/18/1018889218.db2.gz TXVXBBNTCKASHF-HNNXBMFYSA-N -1 0 324.333 -0.142 20 0 DBADRM COCC[C@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606855561 1018889369 /nfs/dbraw/zinc/88/93/69/1018889369.db2.gz IUOHGQRLLGFIDP-MRVPVSSYSA-N -1 0 311.294 -0.768 20 0 DBADRM COCC[C@@]1(NC(=O)Cn2cccc(C(=O)[O-])c2=O)CCOC1 ZINC001606866982 1018889461 /nfs/dbraw/zinc/88/94/61/1018889461.db2.gz TXVXBBNTCKASHF-OAHLLOKOSA-N -1 0 324.333 -0.142 20 0 DBADRM COCC[C@H](NC(=O)c1ccc(=O)n(CCOC)c1)C(=O)[O-] ZINC001606856782 1018889496 /nfs/dbraw/zinc/88/94/96/1018889496.db2.gz JDVJNJZQOASWCT-NSHDSACASA-N -1 0 312.322 -0.286 20 0 DBADRM COCC[C@H](COC)N1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC001606855544 1018889589 /nfs/dbraw/zinc/88/95/89/1018889589.db2.gz IPANHFUREPLQAX-ZYUZMQFOSA-N -1 0 300.311 -0.321 20 0 DBADRM COCCCn1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cn1 ZINC001606878444 1018890356 /nfs/dbraw/zinc/89/03/56/1018890356.db2.gz YOSYKBRZOAQYCW-LLVKDONJSA-N -1 0 324.337 -0.665 20 0 DBADRM COCCCNC(=O)Cc1noc(-c2cnc(C(=O)[O-])cn2)n1 ZINC001606870472 1018890986 /nfs/dbraw/zinc/89/09/86/1018890986.db2.gz SRBAETXVZZHCDF-UHFFFAOYSA-N -1 0 321.293 -0.080 20 0 DBADRM COCCN1C[C@@H](C(=O)NC[C@]2(C(=O)[O-])CCOC2)CC1=O ZINC001606893453 1018892064 /nfs/dbraw/zinc/89/20/64/1018892064.db2.gz MKWXWGBKBIATES-IINYFYTJSA-N -1 0 314.338 -0.911 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c2ncncc12 ZINC001606883873 1018892152 /nfs/dbraw/zinc/89/21/52/1018892152.db2.gz VEJYICDLSNMUKX-UHFFFAOYSA-N -1 0 314.323 -0.369 20 0 DBADRM COCc1ccccc1S(=O)(=O)NC[C@H](O)CC(=O)[O-] ZINC001606968882 1018897948 /nfs/dbraw/zinc/89/79/48/1018897948.db2.gz RXOPFMSGUDTEOY-SNVBAGLBSA-N -1 0 303.336 -0.053 20 0 DBADRM COCCN(CCO)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001606888615 1018892401 /nfs/dbraw/zinc/89/24/01/1018892401.db2.gz JAIKPJYOPZDESL-UHFFFAOYSA-N -1 0 313.310 -0.871 20 0 DBADRM COCCN1C[C@H](C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1=O ZINC001606893081 1018892559 /nfs/dbraw/zinc/89/25/59/1018892559.db2.gz GRHGDJMCWBLGTD-WEDXCCLWSA-N -1 0 320.292 -0.437 20 0 DBADRM COCCNC(=O)C1(NC(=O)c2ccoc2CC(=O)[O-])CC1 ZINC001606894497 1018892856 /nfs/dbraw/zinc/89/28/56/1018892856.db2.gz CTEBVQSXQDIJEU-UHFFFAOYSA-N -1 0 310.306 -0.068 20 0 DBADRM COCCN(CCO)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001606888880 1018893042 /nfs/dbraw/zinc/89/30/42/1018893042.db2.gz RULPLHWVXWRSCD-UHFFFAOYSA-N -1 0 304.324 -0.591 20 0 DBADRM COCCNc1nc(CC(=O)N2CC(O)(C(=O)[O-])C2)cs1 ZINC001606898292 1018893467 /nfs/dbraw/zinc/89/34/67/1018893467.db2.gz GBUOGOWJCCAZQJ-UHFFFAOYSA-N -1 0 315.351 -0.598 20 0 DBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)NC[C@H](F)C(=O)[O-] ZINC001606900533 1018893569 /nfs/dbraw/zinc/89/35/69/1018893569.db2.gz JSYGUUNZHKCSNV-GUBZILKMSA-N -1 0 308.306 -0.471 20 0 DBADRM COCCN1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001606895602 1018893585 /nfs/dbraw/zinc/89/35/85/1018893585.db2.gz SYDDXSURYPWTFB-UHFFFAOYSA-N -1 0 306.384 -0.555 20 0 DBADRM COCCOC[C@H](C)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001606903591 1018893759 /nfs/dbraw/zinc/89/37/59/1018893759.db2.gz PCYGLPVBAGRXAX-VIFPVBQESA-N -1 0 315.330 -0.673 20 0 DBADRM COCCOC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606903080 1018893953 /nfs/dbraw/zinc/89/39/53/1018893953.db2.gz AHMXDAVZYQMLFK-SSDOTTSWSA-N -1 0 307.328 -0.562 20 0 DBADRM COCCN1CN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1=O ZINC001606895164 1018893966 /nfs/dbraw/zinc/89/39/66/1018893966.db2.gz LTFSUVGPYCDGHX-FXPVBKGRSA-N -1 0 300.311 -0.861 20 0 DBADRM COCCOCCCN1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC001606903266 1018894437 /nfs/dbraw/zinc/89/44/37/1018894437.db2.gz GSTPLUFCUWHEFR-OPRDCNLKSA-N -1 0 300.311 -0.319 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC001606919209 1018895010 /nfs/dbraw/zinc/89/50/10/1018895010.db2.gz CUOZKENKOHOUGX-UWVGGRQHSA-N -1 0 323.367 -0.862 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001606919125 1018895455 /nfs/dbraw/zinc/89/54/55/1018895455.db2.gz ATRUHDWFXKJYNF-CABZTGNLSA-N -1 0 307.368 -0.383 20 0 DBADRM COCCS(=O)(=O)CC(=O)OCc1cnc(C(=O)[O-])cn1 ZINC001606919586 1018895468 /nfs/dbraw/zinc/89/54/68/1018895468.db2.gz JGKICZUEROQIKU-UHFFFAOYSA-N -1 0 318.307 -0.721 20 0 DBADRM COCCc1ccccc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001606925445 1018895586 /nfs/dbraw/zinc/89/55/86/1018895586.db2.gz XTQLXZPDNKGROS-LLVKDONJSA-N -1 0 324.333 -0.234 20 0 DBADRM COCCS(=O)(=O)CCCN1CCN(CC(=O)[O-])CC1 ZINC001606919460 1018895764 /nfs/dbraw/zinc/89/57/64/1018895764.db2.gz MSIMWMDOTPRLEK-UHFFFAOYSA-N -1 0 308.400 -0.860 20 0 DBADRM COCCn1c(CCO)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001606928225 1018895863 /nfs/dbraw/zinc/89/58/63/1018895863.db2.gz ZZYNGHVIBKGCOR-ZJUUUORDSA-N -1 0 314.342 -0.862 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001606920392 1018895879 /nfs/dbraw/zinc/89/58/79/1018895879.db2.gz SYEWYBWSFMNUGB-ZCFIWIBFSA-N -1 0 303.283 -0.728 20 0 DBADRM COC[C@H](C)NC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001606937645 1018896542 /nfs/dbraw/zinc/89/65/42/1018896542.db2.gz CMITTWLSQFVIOO-FZMZJTMJSA-N -1 0 315.370 -0.408 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001606937745 1018896603 /nfs/dbraw/zinc/89/66/03/1018896603.db2.gz JXGMTYDVKGMGRA-JTQLQIEISA-N -1 0 310.306 -0.245 20 0 DBADRM COC[C@H](C)NC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001606937646 1018896933 /nfs/dbraw/zinc/89/69/33/1018896933.db2.gz CMITTWLSQFVIOO-SMDDNHRTSA-N -1 0 315.370 -0.408 20 0 DBADRM COCCn1cc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c(=O)cc1C ZINC001606930824 1018897056 /nfs/dbraw/zinc/89/70/56/1018897056.db2.gz HELNLMATJKRXSK-WCQYABFASA-N -1 0 324.333 -0.225 20 0 DBADRM COCCn1c([C@@H](C)O)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001606929059 1018897310 /nfs/dbraw/zinc/89/73/10/1018897310.db2.gz FDTBAPAUFQKOKC-PELKAZGASA-N -1 0 302.306 -0.019 20 0 DBADRM COCCn1cc(C(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)[O-])nn1 ZINC001606929558 1018897422 /nfs/dbraw/zinc/89/74/22/1018897422.db2.gz SJCAWDUWJIUAAJ-ZANVPECISA-N -1 0 312.326 -0.371 20 0 DBADRM COCCn1cc(CNS(=O)(=O)N(C)CCC(=O)[O-])cn1 ZINC001606931858 1018897439 /nfs/dbraw/zinc/89/74/39/1018897439.db2.gz WDJUDQASZFJBPA-UHFFFAOYSA-N -1 0 320.371 -0.730 20 0 DBADRM COCc1nnc2n1CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C2 ZINC001606980602 1018900735 /nfs/dbraw/zinc/90/07/35/1018900735.db2.gz CFWGDMPHNPTPLM-BDAKNGLRSA-N -1 0 310.310 -0.601 20 0 DBADRM COCc1n[nH]c(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC001606982705 1018900801 /nfs/dbraw/zinc/90/08/01/1018900801.db2.gz YTQMUEJYMKXFFA-UHFFFAOYSA-N -1 0 315.311 -0.544 20 0 DBADRM CON(C)C(=O)[C@@H](C)NS(=O)(=O)CCCCCC(=O)[O-] ZINC001606990093 1018901045 /nfs/dbraw/zinc/90/10/45/1018901045.db2.gz LSIKYOHIAJZWEV-SECBINFHSA-N -1 0 310.372 -0.041 20 0 DBADRM COCc1ncc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])s1 ZINC001606977988 1018901541 /nfs/dbraw/zinc/90/15/41/1018901541.db2.gz LDZFAUGTONDMFA-ZETCQYMHSA-N -1 0 313.335 -0.343 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001607007070 1018908519 /nfs/dbraw/zinc/90/85/19/1018908519.db2.gz PIOKLYHAZXIDKV-SCSAIBSYSA-N -1 0 319.220 -0.169 20 0 DBADRM COc1c(C)[nH]cc(CN(C)[C@@H](C)C(=O)NCC(=O)[O-])c1=O ZINC001607012287 1018909714 /nfs/dbraw/zinc/90/97/14/1018909714.db2.gz RRUDNXKDFRRLQX-VIFPVBQESA-N -1 0 311.338 -0.287 20 0 DBADRM CO[C@H]1C[C@H](Cn2nnnc2N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)C1 ZINC001607006157 1018910425 /nfs/dbraw/zinc/91/04/25/1018910425.db2.gz GXOMEEOMKVBMIT-GWOFURMSSA-N -1 0 311.342 -0.224 20 0 DBADRM COc1c(C(=O)[O-])ncnc1N1CCC(OCC(N)=O)CC1 ZINC001607011794 1018911022 /nfs/dbraw/zinc/91/10/22/1018911022.db2.gz RPGWLMDGTBSYMK-UHFFFAOYSA-N -1 0 310.310 -0.346 20 0 DBADRM O=S(=O)(N[C@H]1CC[C@H](O)CC1)c1cccnc1-c1nnn[n-]1 ZINC001607067615 1018934812 /nfs/dbraw/zinc/93/48/12/1018934812.db2.gz LZRXNABCGIHGNY-KYZUINATSA-N -1 0 324.366 -0.157 20 0 DBADRM O=S(=O)(NCCCCO)c1ccsc1-c1nnn[n-]1 ZINC001607066364 1018936504 /nfs/dbraw/zinc/93/65/04/1018936504.db2.gz SDIBEBINFBWMFB-UHFFFAOYSA-N -1 0 303.369 -0.021 20 0 DBADRM O=S(=O)(N[C@@H](CO)CCF)c1ccsc1-c1nnn[n-]1 ZINC001607062507 1018937540 /nfs/dbraw/zinc/93/75/40/1018937540.db2.gz IEQJAABWTQUPPB-ZCFIWIBFSA-N -1 0 321.359 -0.073 20 0 DBADRM COc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)ncn1 ZINC001607068437 1018943695 /nfs/dbraw/zinc/94/36/95/1018943695.db2.gz VODKHCRLLBTAGH-BDAKNGLRSA-N -1 0 320.305 -0.854 20 0 DBADRM O[C@H](C[C@H](O)Cn1cc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001607092340 1018955885 /nfs/dbraw/zinc/95/58/85/1018955885.db2.gz VXVYQZWKQZDXRH-CMPLNLGQSA-N -1 0 301.310 -0.057 20 0 DBADRM O=c1[n-]c(CNc2cc(-c3nn[nH]n3)nc(C3CC3)n2)n[nH]1 ZINC001607088654 1018956790 /nfs/dbraw/zinc/95/67/90/1018956790.db2.gz RDKHGMZWKVJSJI-UHFFFAOYSA-N -1 0 300.286 -0.030 20 0 DBADRM O=c1[nH]nc(Cl)cc1NCCn1cnc(-c2nnn[n-]2)n1 ZINC001607088576 1018957225 /nfs/dbraw/zinc/95/72/25/1018957225.db2.gz MZISOEGQTBQZTG-UHFFFAOYSA-N -1 0 308.693 -0.281 20 0 DBADRM c1cc(N2CCN([C@@H]3CCOC3)CC2)nc(-c2nnn[n-]2)n1 ZINC001607119322 1018974604 /nfs/dbraw/zinc/97/46/04/1018974604.db2.gz AOCWOFDTWYKLBR-SNVBAGLBSA-N -1 0 302.342 -0.432 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)c(C(=O)[O-])c1 ZINC001607286293 1018982837 /nfs/dbraw/zinc/98/28/37/1018982837.db2.gz YRWFVHQZTPOEDG-LURJTMIESA-N -1 0 302.308 -0.455 20 0 DBADRM O=c1cc(CN2CC[C@H](O)C2)nc2c(-c3nn[nH]n3)c[n-]n21 ZINC001607111125 1018978975 /nfs/dbraw/zinc/97/89/75/1018978975.db2.gz NTWZUCORTKYJNN-QMMMGPOBSA-N -1 0 302.298 -0.818 20 0 DBADRM COc1cc(CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])ccn1 ZINC001607161798 1018979763 /nfs/dbraw/zinc/97/97/63/1018979763.db2.gz PWKUWSRMGFPIHT-IUCAKERBSA-N -1 0 324.337 -0.133 20 0 DBADRM COc1cc(S(=O)(=O)N[C@H](C)CC(N)=O)ccc1C(=O)[O-] ZINC001607190826 1018980009 /nfs/dbraw/zinc/98/00/09/1018980009.db2.gz PKOVVYKINNQADN-SSDOTTSWSA-N -1 0 316.335 -0.064 20 0 DBADRM COc1cc(OC)nc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])n1 ZINC001607186273 1018980824 /nfs/dbraw/zinc/98/08/24/1018980824.db2.gz ULWGEEZCOPJFMU-QMMMGPOBSA-N -1 0 321.293 -0.357 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)ncn1 ZINC001607170650 1018980903 /nfs/dbraw/zinc/98/09/03/1018980903.db2.gz GVGMHANAUCBIAZ-SFYZADRCSA-N -1 0 308.294 -0.255 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)nn1C ZINC001607170876 1018981331 /nfs/dbraw/zinc/98/13/31/1018981331.db2.gz JKSNDWYKOXMJFJ-QMMMGPOBSA-N -1 0 310.310 -0.310 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)ccn1 ZINC001607171991 1018982105 /nfs/dbraw/zinc/98/21/05/1018982105.db2.gz YERHVWMFSHDXAY-CQSZACIVSA-N -1 0 323.305 -0.269 20 0 DBADRM COc1ccc(CCC(=O)N[C@H](Cn2cncn2)C(=O)[O-])cn1 ZINC001607246130 1018982643 /nfs/dbraw/zinc/98/26/43/1018982643.db2.gz PRZSBNDUPRVBFP-LLVKDONJSA-N -1 0 319.321 -0.116 20 0 DBADRM COc1ccc2c(c1)C[C@H](C(=O)NCC(=O)NCC(=O)[O-])CO2 ZINC001607293269 1018982983 /nfs/dbraw/zinc/98/29/83/1018982983.db2.gz CNYWWJVZQYSHIG-JTQLQIEISA-N -1 0 322.317 -0.437 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](C)C(N)=O)c(C(=O)[O-])c1 ZINC001607286294 1018983392 /nfs/dbraw/zinc/98/33/92/1018983392.db2.gz YRWFVHQZTPOEDG-ZCFIWIBFSA-N -1 0 302.308 -0.455 20 0 DBADRM COc1cccc(OC)c1S(=O)(=O)NC[C@H](O)CC(=O)[O-] ZINC001607328360 1018984282 /nfs/dbraw/zinc/98/42/82/1018984282.db2.gz XLFXAGFKZKHWMU-MRVPVSSYSA-N -1 0 319.335 -0.182 20 0 DBADRM COc1ccc(CNC(=O)N2CC(O)(C(=O)[O-])C2)c(OC)n1 ZINC001607256080 1018984360 /nfs/dbraw/zinc/98/43/60/1018984360.db2.gz VBYDYAPVTIGSEN-UHFFFAOYSA-N -1 0 311.294 -0.560 20 0 DBADRM COc1cccc(-n2cc(C(=O)N[C@@H](CO)C(=O)[O-])nn2)c1 ZINC001607304154 1018984538 /nfs/dbraw/zinc/98/45/38/1018984538.db2.gz OOOQYAZPNBYFSI-NSHDSACASA-N -1 0 306.278 -0.549 20 0 DBADRM COc1cccnc1CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001607349223 1018987060 /nfs/dbraw/zinc/98/70/60/1018987060.db2.gz YAMKWITVCVJQKQ-LLVKDONJSA-N -1 0 321.333 -0.176 20 0 DBADRM COc1nc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)co1 ZINC001607354598 1018987326 /nfs/dbraw/zinc/98/73/26/1018987326.db2.gz BZKCVYFTHBRQQB-IUCAKERBSA-N -1 0 323.305 -0.312 20 0 DBADRM COc1ccnc(NCCN(CCO)C(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001607350649 1018987338 /nfs/dbraw/zinc/98/73/38/1018987338.db2.gz BYDLWRVFSXFMCA-VHSXEESVSA-N -1 0 324.337 -0.561 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001607336671 1018987380 /nfs/dbraw/zinc/98/73/80/1018987380.db2.gz OLDYDWVJGAWRSI-LBPRGKRZSA-N -1 0 322.317 -0.263 20 0 DBADRM COc1ccnc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001607350392 1018987827 /nfs/dbraw/zinc/98/78/27/1018987827.db2.gz ZOVRVPXHRPZZBS-QWRGUYRKSA-N -1 0 319.317 -0.249 20 0 DBADRM COc1cncc(CN2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001607354171 1018987988 /nfs/dbraw/zinc/98/79/88/1018987988.db2.gz JQDNLADZMHYFCQ-WDEREUQCSA-N -1 0 306.322 -0.494 20 0 DBADRM COc1cncc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001607356327 1018988753 /nfs/dbraw/zinc/98/87/53/1018988753.db2.gz RMISPFAIHUPFQA-DTWKUNHWSA-N -1 0 316.335 -0.454 20 0 DBADRM COc1ncccc1NC(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001607361778 1018989363 /nfs/dbraw/zinc/98/93/63/1018989363.db2.gz QMLSLBWEDNEBAZ-CQSZACIVSA-N -1 0 323.305 -0.269 20 0 DBADRM COc1nn(C)cc1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001607362174 1018989635 /nfs/dbraw/zinc/98/96/35/1018989635.db2.gz CJOPROLHEPBNCM-SECBINFHSA-N -1 0 310.310 -0.766 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001607366411 1018989930 /nfs/dbraw/zinc/98/99/30/1018989930.db2.gz IEHZZJPVEGSAHJ-WCBMZHEXSA-N -1 0 305.352 -0.440 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001607362486 1018990034 /nfs/dbraw/zinc/99/00/34/1018990034.db2.gz SBPNXWIKMNHAKO-GFCCVEGCSA-N -1 0 314.273 -0.608 20 0 DBADRM COc1nn(C)cc1C(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001607362310 1018990083 /nfs/dbraw/zinc/99/00/83/1018990083.db2.gz JZVOENRTQAGLTR-UHFFFAOYSA-N -1 0 320.309 -0.241 20 0 DBADRM COc1ncc(/C=C/C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cn1 ZINC001607359804 1018990356 /nfs/dbraw/zinc/99/03/56/1018990356.db2.gz OLDJZRPEOVYINU-PBKGFPTLSA-N -1 0 320.305 -0.700 20 0 DBADRM COc1nn(C)cc1NC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001607362440 1018990380 /nfs/dbraw/zinc/99/03/80/1018990380.db2.gz QGPIMFQVYFYZHE-UHFFFAOYSA-N -1 0 321.297 -0.193 20 0 DBADRM COc1ncccc1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607360895 1018990620 /nfs/dbraw/zinc/99/06/20/1018990620.db2.gz MCFJCELRDWJUJB-QWRGUYRKSA-N -1 0 319.317 -0.249 20 0 DBADRM COc1ncc(/C=C\C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cn1 ZINC001607359806 1018990884 /nfs/dbraw/zinc/99/08/84/1018990884.db2.gz OLDJZRPEOVYINU-ZMWSMAPVSA-N -1 0 320.305 -0.700 20 0 DBADRM CS(=O)(=O)c1ccc(N)c(C(=O)N[C@H](CF)C(=O)[O-])c1 ZINC001607381554 1018998813 /nfs/dbraw/zinc/99/88/13/1018998813.db2.gz KXJVIEJXMAWDEI-SECBINFHSA-N -1 0 304.299 -0.175 20 0 DBADRM COc1ncc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001607359777 1018991490 /nfs/dbraw/zinc/99/14/90/1018991490.db2.gz NMHRECWIXLTYOD-UWVGGRQHSA-N -1 0 320.305 -0.854 20 0 DBADRM COc1nc(C)ccc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001607357408 1018991720 /nfs/dbraw/zinc/99/17/20/1018991720.db2.gz NYOOHPRRIIZDHD-JTQLQIEISA-N -1 0 307.306 -0.186 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)NCC2(C(=O)[O-])CC2)C1 ZINC001607369481 1018993106 /nfs/dbraw/zinc/99/31/06/1018993106.db2.gz FEHHCJGOTPMORY-SECBINFHSA-N -1 0 304.368 -0.073 20 0 DBADRM CS(=O)(=O)CC(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001607366839 1018993311 /nfs/dbraw/zinc/99/33/11/1018993311.db2.gz PETIKMVMBUDTFI-MRVPVSSYSA-N -1 0 307.324 -0.960 20 0 DBADRM CS(=O)(=O)Cc1ccc(C(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001607370063 1018993559 /nfs/dbraw/zinc/99/35/59/1018993559.db2.gz LECBUQJOSGXPSW-UHFFFAOYSA-N -1 0 313.331 -0.497 20 0 DBADRM CS(=O)(=O)CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001607366803 1018993666 /nfs/dbraw/zinc/99/36/66/1018993666.db2.gz ONAJMHFNKYGDTB-JTQLQIEISA-N -1 0 303.311 -0.018 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001607370367 1018994000 /nfs/dbraw/zinc/99/40/00/1018994000.db2.gz WVESWYIRZRBVIF-QUNCOHTASA-N -1 0 319.379 -0.050 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)OCCCC(=O)C(=O)[O-] ZINC001607371686 1018996249 /nfs/dbraw/zinc/99/62/49/1018996249.db2.gz BXBDCUHKQVLUEZ-QMMMGPOBSA-N -1 0 307.324 -0.613 20 0 DBADRM CS(=O)(=O)NCCNC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001607374483 1018996871 /nfs/dbraw/zinc/99/68/71/1018996871.db2.gz XYIBYZQLDPIUSD-UHFFFAOYSA-N -1 0 321.399 -0.130 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CC1OCCCO1)C(=O)[O-] ZINC001607378153 1018999105 /nfs/dbraw/zinc/99/91/05/1018999105.db2.gz XIFWMIWPGYHLSO-QPUJVOFHSA-N -1 0 321.351 -0.856 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)/C=C\[C@@H]1CCOC1)C(=O)[O-] ZINC001607377838 1018999238 /nfs/dbraw/zinc/99/92/38/1018999238.db2.gz SWVNDFTZCSXJGM-JWZWIUFPSA-N -1 0 317.363 -0.417 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@H]1C[C@@]12CCOC2)C(=O)[O-] ZINC001607377256 1018999254 /nfs/dbraw/zinc/99/92/54/1018999254.db2.gz DRHYOGFTFZJQDY-OTMMVIPVSA-N -1 0 317.363 -0.583 20 0 DBADRM CS(=O)(=O)c1nccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])n1 ZINC001607383240 1018999675 /nfs/dbraw/zinc/99/96/75/1018999675.db2.gz QRXCUZGSUVYAFK-SECBINFHSA-N -1 0 313.335 -0.041 20 0 DBADRM CSC1(CNC(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001607390414 1019001883 /nfs/dbraw/zinc/00/18/83/1019001883.db2.gz UNFJICZKYJMIOQ-RKDXNWHRSA-N -1 0 316.379 -0.396 20 0 DBADRM CS[C@@H](C)CNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001607391107 1019002391 /nfs/dbraw/zinc/00/23/91/1019002391.db2.gz ZBFZRCGLZGJHQT-VGMNWLOBSA-N -1 0 304.368 -0.445 20 0 DBADRM C[S@@](=O)C1(CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001607385136 1019002734 /nfs/dbraw/zinc/00/27/34/1019002734.db2.gz NYWHYKFMWHEDLY-ZUNJMDCASA-N -1 0 304.368 -0.314 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001607387393 1019003281 /nfs/dbraw/zinc/00/32/81/1019003281.db2.gz IYPQFWNDGREBKZ-UHFFFAOYSA-N -1 0 307.353 -0.158 20 0 DBADRM CSCC[C@@H](OC(=O)Cn1nc(C)n(C)c1=O)C(=O)[O-] ZINC001607399131 1019003836 /nfs/dbraw/zinc/00/38/36/1019003836.db2.gz YGHJOPNFJASEOU-MRVPVSSYSA-N -1 0 303.340 -0.360 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)[O-] ZINC001607423779 1019004627 /nfs/dbraw/zinc/00/46/27/1019004627.db2.gz DULWKJBZULVBHN-PRJMDXOYSA-N -1 0 314.260 -0.800 20 0 DBADRM CSc1nnc(CNC(=O)Cn2cc(C(=O)[O-])nn2)s1 ZINC001607415307 1019004734 /nfs/dbraw/zinc/00/47/34/1019004734.db2.gz KMTUVUUOEVHOBN-UHFFFAOYSA-N -1 0 314.352 -0.134 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001607418729 1019005545 /nfs/dbraw/zinc/00/55/45/1019005545.db2.gz IGUOEBFZWZUPQI-IUCAKERBSA-N -1 0 321.337 -0.866 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cccc(N2CCNC2=O)c1)C(=O)[O-] ZINC001607424742 1019007188 /nfs/dbraw/zinc/00/71/88/1019007188.db2.gz JKYJVPJGEHXKCF-KCJUWKMLSA-N -1 0 307.306 -0.220 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)C[C@@H](C(=O)[O-])O1 ZINC001607428425 1019008384 /nfs/dbraw/zinc/00/83/84/1019008384.db2.gz JSYUMKQBADTWED-IIRVCBMXSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1CC(=O)[O-] ZINC001607429661 1019008739 /nfs/dbraw/zinc/00/87/39/1019008739.db2.gz BHBBDQTUPWWDCZ-NXEZZACHSA-N -1 0 311.338 -0.112 20 0 DBADRM C[C@@H]1CN(C(=O)C2C[C@@H]3COC[C@H](C2)C3=O)C[C@@H](C(=O)[O-])O1 ZINC001607430192 1019009986 /nfs/dbraw/zinc/00/99/86/1019009986.db2.gz SLTVZLBAMQEESP-MGMMNNENSA-N -1 0 311.334 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)[C@]23CCC(=O)N2CCS3)C[C@@H](C(=O)[O-])O1 ZINC001607430190 1019010179 /nfs/dbraw/zinc/01/01/79/1019010179.db2.gz RZRNAAMENPSYIJ-VYUIOLGVSA-N -1 0 314.363 -0.248 20 0 DBADRM C[C@@H]1CN(CC(=O)N2CCOC(C)(C)C2)C[C@@H](C(=O)[O-])O1 ZINC001607436897 1019010413 /nfs/dbraw/zinc/01/04/13/1019010413.db2.gz HBSWYYRJGNDGBV-MNOVXSKESA-N -1 0 300.355 -0.202 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)nc2)C[C@@H](C(=O)[O-])O1 ZINC001607435506 1019010806 /nfs/dbraw/zinc/01/08/06/1019010806.db2.gz LRPKZFCBYJQKHV-KOLCDFICSA-N -1 0 317.305 -0.024 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)N(C)C)CC2)O[C@H]1C(=O)[O-] ZINC001607441432 1019011516 /nfs/dbraw/zinc/01/15/16/1019011516.db2.gz OAWNGMKSYHTVPT-GMTAPVOTSA-N -1 0 313.354 -0.310 20 0 DBADRM C[C@@H]1CN(c2nnnn2CCN2CCOCC2)C[C@H]1CC(=O)[O-] ZINC001607440079 1019012460 /nfs/dbraw/zinc/01/24/60/1019012460.db2.gz BZIRQYAADNKEMV-VXGBXAGGSA-N -1 0 324.385 -0.448 20 0 DBADRM C[C@@H]1CN(c2nnc([C@@]3(C)C[C@H](O)CN3C)n2C)C[C@H]1C(=O)[O-] ZINC001607440110 1019012680 /nfs/dbraw/zinc/01/26/80/1019012680.db2.gz BMWTWWSCQRFFQA-JNIYBQFBSA-N -1 0 323.397 -0.116 20 0 DBADRM C[C@@H]1CN(c2nnnn2[C@H]2CCN(C)C2=O)C[C@H]1CC(=O)[O-] ZINC001607441457 1019013086 /nfs/dbraw/zinc/01/30/86/1019013086.db2.gz UCBZVQVSTAFMMU-BBBLOLIVSA-N -1 0 308.342 -0.377 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001607445251 1019013500 /nfs/dbraw/zinc/01/35/00/1019013500.db2.gz ACLFEZZFHZJGIC-RKDXNWHRSA-N -1 0 309.322 -0.591 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnc(N)nc2)C[C@H]1CC(=O)[O-] ZINC001607439227 1019013747 /nfs/dbraw/zinc/01/37/47/1019013747.db2.gz YOSOJLNDEWKFIQ-HTQZYQBOSA-N -1 0 300.340 -0.210 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC12CCOCC2)C(=O)[O-] ZINC001607458208 1019014546 /nfs/dbraw/zinc/01/45/46/1019014546.db2.gz HOHBXFLAWACUTJ-UWVGGRQHSA-N -1 0 313.354 -0.071 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC(OCC(F)F)C1)C(=O)[O-] ZINC001607458546 1019014591 /nfs/dbraw/zinc/01/45/91/1019014591.db2.gz MZBNRUJJIBXXIC-BQBZGAKWSA-N -1 0 323.296 -0.360 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCc2n[nH]nc21)C(=O)[O-] ZINC001607458713 1019014951 /nfs/dbraw/zinc/01/49/51/1019014951.db2.gz PJMBTERAVVUITQ-BIIVOSGPSA-N -1 0 309.326 -0.681 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1n[nH]c2c1CCCC2)C(=O)[O-] ZINC001607458922 1019015760 /nfs/dbraw/zinc/01/57/60/1019015760.db2.gz SRVSTAVZNVOABN-YUMQZZPRSA-N -1 0 308.338 -0.004 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@H](O)[C@H](F)C1)C(=O)[O-] ZINC001607459300 1019017267 /nfs/dbraw/zinc/01/72/67/1019017267.db2.gz YKMKWBGOLPSDGP-MAUMQABQSA-N -1 0 305.306 -0.922 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)[C@@H]1COC(C)(C)C1)C(=O)[O-] ZINC001607459549 1019017287 /nfs/dbraw/zinc/01/72/87/1019017287.db2.gz FHOGBLUPLXVIHG-CIUDSAMLSA-N -1 0 322.383 -0.549 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1c[nH]nc1[C@@H]1CCCO1)C(=O)[O-] ZINC001607459671 1019017862 /nfs/dbraw/zinc/01/78/62/1019017862.db2.gz GKVOPTQQYPWBNK-NRPADANISA-N -1 0 324.337 -0.031 20 0 DBADRM C[C@H](O)C1CCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001607462216 1019018996 /nfs/dbraw/zinc/01/89/96/1019018996.db2.gz UBBFFFLGJLGDGK-ZMLRMANQSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@](O)(C3CC3)C2)C[C@]1(C)C(=O)[O-] ZINC001607466315 1019019100 /nfs/dbraw/zinc/01/91/00/1019019100.db2.gz DVVRMXAHTQKHPL-CIISACIHSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C[C@]1(C)C(=O)[O-] ZINC001607466212 1019019118 /nfs/dbraw/zinc/01/91/18/1019019118.db2.gz CVBFBOHABANCEJ-ZVXAKGHKSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@H]1CN(C(=O)NCc2nc3ncccn3n2)C[C@@H](C(=O)[O-])O1 ZINC001607472712 1019020068 /nfs/dbraw/zinc/02/00/68/1019020068.db2.gz RGHYMNSBAMHYHN-IUCAKERBSA-N -1 0 320.309 -0.492 20 0 DBADRM C[C@H]1CN(C(=O)NCCCC(=O)NC2CC2)C[C@@H](C(=O)[O-])O1 ZINC001607469703 1019020256 /nfs/dbraw/zinc/02/02/56/1019020256.db2.gz WYEOPEVXJFIFJO-ONGXEEELSA-N -1 0 313.354 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC(F)(F)C2)C[C@@H](C(=O)[O-])O1 ZINC001607467887 1019020364 /nfs/dbraw/zinc/02/03/64/1019020364.db2.gz OHFMAPFFMNVUDZ-CIUDSAMLSA-N -1 0 320.292 -0.009 20 0 DBADRM C[C@H]1CN(C(=O)NCc2cc(C(N)=O)no2)C[C@@H](C(=O)[O-])O1 ZINC001607472323 1019020917 /nfs/dbraw/zinc/02/09/17/1019020917.db2.gz BDQBWRDAHXKHIC-RCOVLWMOSA-N -1 0 312.282 -0.843 20 0 DBADRM C[C@H]1CN(C(=O)NCCO[C@@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001607469634 1019021107 /nfs/dbraw/zinc/02/11/07/1019021107.db2.gz TZVKIGDGSZIIOG-AXFHLTTASA-N -1 0 302.327 -0.325 20 0 DBADRM C[C@]12CN(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C[C@H]1CS(=O)(=O)C2 ZINC001607481899 1019021889 /nfs/dbraw/zinc/02/18/89/1019021889.db2.gz ZSLLGYQXOJQAFQ-AVWBDOJWSA-N -1 0 316.379 -0.074 20 0 DBADRM C[C@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001607476197 1019022445 /nfs/dbraw/zinc/02/24/45/1019022445.db2.gz HGZUVGCBYPIXHE-DCAQKATOSA-N -1 0 306.384 -0.558 20 0 DBADRM C[C@H]1CN(Cc2nnnn2CC(F)(F)F)C[C@@H](C(=O)[O-])O1 ZINC001607478185 1019022506 /nfs/dbraw/zinc/02/25/06/1019022506.db2.gz HMQMZOSEZIGOJL-BQBZGAKWSA-N -1 0 309.248 -0.091 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)C[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001607479875 1019022733 /nfs/dbraw/zinc/02/27/33/1019022733.db2.gz KDCTZRGECFNFLL-GUBZILKMSA-N -1 0 308.338 -0.516 20 0 DBADRM Cc1[nH]c(C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(C)c1C(=O)[O-] ZINC001607490774 1019023961 /nfs/dbraw/zinc/02/39/61/1019023961.db2.gz XXGKVBCEIIXVJF-OCAPTIKFSA-N -1 0 305.290 -0.326 20 0 DBADRM C[C@H]1CN(c2nnc([C@]3(O)CCOC3)n2C)CC[C@H]1C(=O)[O-] ZINC001607480202 1019024399 /nfs/dbraw/zinc/02/43/99/1019024399.db2.gz CBYQBZUJCDTYNY-RBZYPMLTSA-N -1 0 310.354 -0.030 20 0 DBADRM Cc1c(C(=O)[O-])csc1NC(=O)C(=O)NC[C@@](C)(O)CO ZINC001607518576 1019025432 /nfs/dbraw/zinc/02/54/32/1019025432.db2.gz GHEKIDBOAVLCQI-GFCCVEGCSA-N -1 0 316.335 -0.447 20 0 DBADRM Cc1c(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)nnn1-c1ccn(C)n1 ZINC001607509595 1019025506 /nfs/dbraw/zinc/02/55/06/1019025506.db2.gz DNNSYMSXECIOEO-KYZUINATSA-N -1 0 304.310 -0.098 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)CCCS(N)(=O)=O)n1C ZINC001607512571 1019027083 /nfs/dbraw/zinc/02/70/83/1019027083.db2.gz CAQXMWLGLNJEHM-UHFFFAOYSA-N -1 0 317.367 -0.283 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@@H](O)CO)ccc(F)c1C(=O)[O-] ZINC001607536053 1019027954 /nfs/dbraw/zinc/02/79/54/1019027954.db2.gz BQQXCBDIWVUPNS-SSDOTTSWSA-N -1 0 314.269 -0.760 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCOCC[C@H]2C)cnn1CC(=O)[O-] ZINC001607535648 1019028692 /nfs/dbraw/zinc/02/86/92/1019028692.db2.gz VUJLCYANHFRXHL-SECBINFHSA-N -1 0 324.337 -0.148 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@@](C)(O)C2CC2)cnn1CC(=O)[O-] ZINC001607537714 1019028716 /nfs/dbraw/zinc/02/87/16/1019028716.db2.gz WKQOYLRFTPVZGC-CQSZACIVSA-N -1 0 324.337 -0.508 20 0 DBADRM Cc1c(NC(=O)C(=O)NC2(CCO)CC2)cnn1CC(=O)[O-] ZINC001607537329 1019029022 /nfs/dbraw/zinc/02/90/22/1019029022.db2.gz OYZNFCNUISZOOB-UHFFFAOYSA-N -1 0 310.310 -0.754 20 0 DBADRM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NCCC(=O)[O-] ZINC001607533718 1019029495 /nfs/dbraw/zinc/02/94/95/1019029495.db2.gz AJYXAIVBSOGJMD-UHFFFAOYSA-N -1 0 304.299 -0.014 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cnn1C ZINC001607527921 1019029872 /nfs/dbraw/zinc/02/98/72/1019029872.db2.gz MUBDVHLKNZGCRN-VFZGTOFNSA-N -1 0 322.365 -0.086 20 0 DBADRM Cc1c(CCC(=O)N[C@H](Cn2cncn2)C(=O)[O-])cnn1C ZINC001607525791 1019030075 /nfs/dbraw/zinc/03/00/75/1019030075.db2.gz DIVVDDLJQQWYTF-LLVKDONJSA-N -1 0 306.326 -0.478 20 0 DBADRM Cc1cc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)ncn1 ZINC001607578525 1019031035 /nfs/dbraw/zinc/03/10/35/1019031035.db2.gz LUJSQMDDMCSLLA-UHFFFAOYSA-N -1 0 313.335 -0.453 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2CCO[C@@H](CS(C)(=O)=O)C2)n1 ZINC001607601152 1019033519 /nfs/dbraw/zinc/03/35/19/1019033519.db2.gz JRBLSJKXLDDTPS-SECBINFHSA-N -1 0 315.351 -0.267 20 0 DBADRM Cc1cc(C(=O)[O-])c(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)s1 ZINC001607587412 1019034910 /nfs/dbraw/zinc/03/49/10/1019034910.db2.gz YBSZKJOSJHNMTD-YUMQZZPRSA-N -1 0 314.319 -0.743 20 0 DBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)NC[C@H](F)C(=O)[O-])c1 ZINC001607610234 1019035156 /nfs/dbraw/zinc/03/51/56/1019035156.db2.gz BPWOFZSNICUGCZ-VIFPVBQESA-N -1 0 304.299 -0.205 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001607699177 1019036444 /nfs/dbraw/zinc/03/64/44/1019036444.db2.gz HPYGTYVTDIBAMP-SNVBAGLBSA-N -1 0 312.347 -0.109 20 0 DBADRM Cc1cc(N2CC[C@H](CO)[C@@H](O)C2)n2nc(C(=O)[O-])nc2n1 ZINC001607685392 1019036516 /nfs/dbraw/zinc/03/65/16/1019036516.db2.gz WUDVSYDYZOYBLF-BDAKNGLRSA-N -1 0 307.310 -0.690 20 0 DBADRM Cc1cc(N(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n2ncnc2n1 ZINC001607669267 1019037036 /nfs/dbraw/zinc/03/70/36/1019037036.db2.gz KHDQRTMCNNDHLJ-UWVGGRQHSA-N -1 0 318.337 -0.294 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CCSC[C@H]1C(=O)[O-] ZINC001607699159 1019038294 /nfs/dbraw/zinc/03/82/94/1019038294.db2.gz HPYGTYVTDIBAMP-JTQLQIEISA-N -1 0 312.347 -0.109 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)c(C(=O)[O-])[nH]1 ZINC001607669954 1019038405 /nfs/dbraw/zinc/03/84/05/1019038405.db2.gz GJIWTOQZLFGLRJ-BRPSZJMVSA-N -1 0 307.306 -0.343 20 0 DBADRM Cc1cc(=O)[nH]c(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1 ZINC001607699485 1019038937 /nfs/dbraw/zinc/03/89/37/1019038937.db2.gz PFQXFGYUKXCBKT-JTQLQIEISA-N -1 0 307.306 -0.099 20 0 DBADRM Cc1ccc(C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001607730025 1019039078 /nfs/dbraw/zinc/03/90/78/1019039078.db2.gz AJDMSYNNXYQCBX-ZJUUUORDSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1ccc([C@H](O)CNS(=O)(=O)N(C)CCC(=O)[O-])o1 ZINC001607761254 1019039908 /nfs/dbraw/zinc/03/99/08/1019039908.db2.gz VUPRAMIPKXRHHE-SECBINFHSA-N -1 0 306.340 -0.138 20 0 DBADRM Cc1ccc(C(=O)C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cc1 ZINC001607724268 1019040219 /nfs/dbraw/zinc/04/02/19/1019040219.db2.gz KIIQDNVMFAYPLX-LLVKDONJSA-N -1 0 304.302 -0.068 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCNC1=O ZINC001607737001 1019040525 /nfs/dbraw/zinc/04/05/25/1019040525.db2.gz BOMFMXWKUVSGBG-NSHDSACASA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1cc2c(cc1S(=O)(=O)N1CC(O)(C(=O)[O-])C1)OCO2 ZINC001607711941 1019040903 /nfs/dbraw/zinc/04/09/03/1019040903.db2.gz RAOALDCHQMIHCY-UHFFFAOYSA-N -1 0 315.303 -0.456 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)N[C@@](C)(CO)C(=O)[O-])cc1C ZINC001607730404 1019040982 /nfs/dbraw/zinc/04/09/82/1019040982.db2.gz FUNZQRQVYRFECD-HNNXBMFYSA-N -1 0 308.334 -0.015 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001607781823 1019043908 /nfs/dbraw/zinc/04/39/08/1019043908.db2.gz XXLIJFNGUFEEST-RYUDHWBXSA-N -1 0 321.333 -0.700 20 0 DBADRM Cc1ccc(S(=O)(=O)NCc2nnn(C)n2)c(C(=O)[O-])c1 ZINC001607821376 1019043948 /nfs/dbraw/zinc/04/39/48/1019043948.db2.gz NSEUQMCEOZCSPN-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM Cc1cn2ccnc(C(=O)NCCn3cc(C(=O)[O-])nn3)c2n1 ZINC001607903282 1019044495 /nfs/dbraw/zinc/04/44/95/1019044495.db2.gz RUDIJGGDSVBZEE-UHFFFAOYSA-N -1 0 315.293 -0.243 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607898897 1019044978 /nfs/dbraw/zinc/04/49/78/1019044978.db2.gz HRPQRJDNIPHISD-KKOKHZNYSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])nn21 ZINC001607896674 1019045033 /nfs/dbraw/zinc/04/50/33/1019045033.db2.gz NXNMBTZWWXDLEZ-ZETCQYMHSA-N -1 0 307.266 -0.821 20 0 DBADRM Cc1ccn(CC(=O)OCCn2cc(C(=O)[O-])nn2)c(=O)c1 ZINC001607892224 1019045165 /nfs/dbraw/zinc/04/51/65/1019045165.db2.gz SDTKFUHOKJMXJG-UHFFFAOYSA-N -1 0 306.278 -0.310 20 0 DBADRM Cc1ccn(CC(=O)NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001607892316 1019045216 /nfs/dbraw/zinc/04/52/16/1019045216.db2.gz VPKDZMGWFUMGNC-QWRGUYRKSA-N -1 0 320.349 -0.323 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607898896 1019045672 /nfs/dbraw/zinc/04/56/72/1019045672.db2.gz HRPQRJDNIPHISD-FIQHERPVSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1cn2nnc(C(=O)NC3(C(=O)[O-])CC(CO)C3)c2c(=O)[nH]1 ZINC001607902855 1019045943 /nfs/dbraw/zinc/04/59/43/1019045943.db2.gz FXGQGPCTAVLDQW-UHFFFAOYSA-N -1 0 321.293 -0.906 20 0 DBADRM Cc1cncn1CC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607915019 1019047657 /nfs/dbraw/zinc/04/76/57/1019047657.db2.gz NAYGCAFYABUDTQ-MNOVXSKESA-N -1 0 306.322 -0.761 20 0 DBADRM Cc1cnc2c(cnn2CC(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)c1 ZINC001607908619 1019048166 /nfs/dbraw/zinc/04/81/66/1019048166.db2.gz HQEFJHJQPYIZEE-WJONMLJTSA-N -1 0 304.306 -0.166 20 0 DBADRM Cc1cncn1CC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607914550 1019048186 /nfs/dbraw/zinc/04/81/86/1019048186.db2.gz BQJRPYAQQBOPQI-VXGBXAGGSA-N -1 0 320.349 -0.513 20 0 DBADRM Cc1c[nH]cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c1=O ZINC001607910858 1019048594 /nfs/dbraw/zinc/04/85/94/1019048594.db2.gz XTEKGGUMZXVKMR-UHFFFAOYSA-N -1 0 323.349 -0.458 20 0 DBADRM Cc1cncn1CC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607915018 1019049201 /nfs/dbraw/zinc/04/92/01/1019049201.db2.gz NAYGCAFYABUDTQ-GHMZBOCLSA-N -1 0 306.322 -0.761 20 0 DBADRM Cc1cnc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])s1 ZINC001607910721 1019049605 /nfs/dbraw/zinc/04/96/05/1019049605.db2.gz TWZSFUAXUVJGPY-JGVFFNPUSA-N -1 0 313.335 -0.173 20 0 DBADRM Cc1cnn(C)c1C(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001607916658 1019049745 /nfs/dbraw/zinc/04/97/45/1019049745.db2.gz GAKGIFQWROYPED-VIFPVBQESA-N -1 0 318.337 -0.131 20 0 DBADRM Cc1cnc(CCNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cn1 ZINC001607906680 1019049869 /nfs/dbraw/zinc/04/98/69/1019049869.db2.gz ICORWYHZXJEXRZ-UWVGGRQHSA-N -1 0 323.353 -0.395 20 0 DBADRM Cc1cnn(C)c1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001607916797 1019049975 /nfs/dbraw/zinc/04/99/75/1019049975.db2.gz INGRJSQNOCLTKL-UHFFFAOYSA-N -1 0 324.337 -0.335 20 0 DBADRM Cc1nnc(CC(=O)NCCN(C)c2ncc(C(=O)[O-])cn2)[nH]1 ZINC001607936174 1019051359 /nfs/dbraw/zinc/05/13/59/1019051359.db2.gz AOIAHSXQDCXPGX-UHFFFAOYSA-N -1 0 319.325 -0.604 20 0 DBADRM Cc1conc1NC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001607923616 1019051557 /nfs/dbraw/zinc/05/15/57/1019051557.db2.gz YPFXLYPLHKOGMQ-SECBINFHSA-N -1 0 311.294 -0.394 20 0 DBADRM Cc1[nH]nc(Br)c1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001607934493 1019052585 /nfs/dbraw/zinc/05/25/85/1019052585.db2.gz CTBLVBOVALFTGL-UHFFFAOYSA-N -1 0 304.100 -0.248 20 0 DBADRM Cc1conc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001607922551 1019052657 /nfs/dbraw/zinc/05/26/57/1019052657.db2.gz HSFCMKHYYSHGKS-NXEZZACHSA-N -1 0 307.306 -0.012 20 0 DBADRM Cc1csc2ncc(C(=O)N3CC[C@](O)(C(=O)[O-])C3)c(=O)n12 ZINC001607933882 1019052948 /nfs/dbraw/zinc/05/29/48/1019052948.db2.gz LLVMJAFTVVAFEU-CYBMUJFWSA-N -1 0 323.330 -0.274 20 0 DBADRM Cc1nc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])co1 ZINC001607943604 1019054264 /nfs/dbraw/zinc/05/42/64/1019054264.db2.gz CBAXBAWFBVWIAF-MRVPVSSYSA-N -1 0 302.308 -0.303 20 0 DBADRM Cc1nc(C2CC2)[nH]c(=S)c1C(=O)NCC(=O)NCC(=O)[O-] ZINC001607951365 1019054406 /nfs/dbraw/zinc/05/44/06/1019054406.db2.gz YCHMDPDAGYSOGB-UHFFFAOYSA-N -1 0 324.362 -0.118 20 0 DBADRM Cc1nc([C@H]2COCCN2S(=O)(=O)C[C@@H](C)C(=O)[O-])no1 ZINC001607951950 1019054780 /nfs/dbraw/zinc/05/47/80/1019054780.db2.gz JKTDBWOPBRLNCU-VXNVDRBHSA-N -1 0 319.339 -0.198 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC001608041751 1019070250 /nfs/dbraw/zinc/07/02/50/1019070250.db2.gz QWVICXOJRRBHQQ-SECBINFHSA-N -1 0 302.308 -0.172 20 0 DBADRM Cc1ncc(CC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)o1 ZINC001607977581 1019057107 /nfs/dbraw/zinc/05/71/07/1019057107.db2.gz BQAPKHYYCVEBAK-JOYOIKCWSA-N -1 0 316.335 -0.470 20 0 DBADRM Cc1ncc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c(C)n1 ZINC001607975515 1019057140 /nfs/dbraw/zinc/05/71/40/1019057140.db2.gz CPGGAYLULBGKFE-QWRGUYRKSA-N -1 0 318.333 -0.245 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)Cn1ccc(C(=O)[O-])n1)CC2 ZINC001607974080 1019057494 /nfs/dbraw/zinc/05/74/94/1019057494.db2.gz AFVLEZPYZDLXOF-SECBINFHSA-N -1 0 304.310 -0.388 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)CC2 ZINC001607974614 1019059458 /nfs/dbraw/zinc/05/94/58/1019059458.db2.gz LOGWUALDNNUSNS-LSJOCFKGSA-N -1 0 323.353 -0.215 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CCC[C@H]2C(N)=O)cc1C(=O)[O-] ZINC001607984280 1019059801 /nfs/dbraw/zinc/05/98/01/1019059801.db2.gz ZMJBKHYIIDVXHW-JTQLQIEISA-N -1 0 313.335 -0.273 20 0 DBADRM Cc1nccn1CCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001607989660 1019059823 /nfs/dbraw/zinc/05/98/23/1019059823.db2.gz PKIJHMMLICUUKN-LLVKDONJSA-N -1 0 308.338 -0.369 20 0 DBADRM Cc1ncccc1CC(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607988738 1019060565 /nfs/dbraw/zinc/06/05/65/1019060565.db2.gz IRTRHHIISWYQGK-QWHCGFSZSA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1ncoc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607992620 1019060748 /nfs/dbraw/zinc/06/07/48/1019060748.db2.gz DLOXTRXUQLTZGP-NXEZZACHSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])s1 ZINC001607983938 1019060960 /nfs/dbraw/zinc/06/09/60/1019060960.db2.gz KAWHNDVTXZUMLT-ZETCQYMHSA-N -1 0 319.364 -0.633 20 0 DBADRM Cc1nccnc1CCNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001607991554 1019061139 /nfs/dbraw/zinc/06/11/39/1019061139.db2.gz UCMLZJLTSADNJZ-QWRGUYRKSA-N -1 0 308.338 -0.195 20 0 DBADRM Cc1ncn(C)c1C(=O)NCC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607991283 1019061191 /nfs/dbraw/zinc/06/11/91/1019061191.db2.gz VWBRXGBMQHRETD-MNOVXSKESA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1nccc(C(=O)N[C@H](C)CNc2ccnc(C(=O)[O-])n2)n1 ZINC001607986366 1019062374 /nfs/dbraw/zinc/06/23/74/1019062374.db2.gz BXSBLPYTGCWIMQ-MRVPVSSYSA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1nn(CC(=O)N2CCSC[C@@H]2CC(=O)[O-])c(=O)o1 ZINC001608004864 1019062887 /nfs/dbraw/zinc/06/28/87/1019062887.db2.gz DFNBCKXZARGUNM-QMMMGPOBSA-N -1 0 301.324 -0.437 20 0 DBADRM Cc1nn(CCO)c2ncc(C(=O)O[C@H](C)C(=O)C(=O)[O-])cc12 ZINC001608008906 1019063366 /nfs/dbraw/zinc/06/33/66/1019063366.db2.gz AJVOBSLHCDBQQZ-MRVPVSSYSA-N -1 0 321.289 -0.069 20 0 DBADRM Cc1nn2cccnc2c1C(=O)OCC(=O)NCCC(=O)[O-] ZINC001608010045 1019063644 /nfs/dbraw/zinc/06/36/44/1019063644.db2.gz OFHMKMIFFANSII-UHFFFAOYSA-N -1 0 306.278 -0.215 20 0 DBADRM Cc1nn(C)cc1C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608005797 1019064818 /nfs/dbraw/zinc/06/48/18/1019064818.db2.gz YYRUAYYLVFHCHU-VHSXEESVSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)c1ccc(=O)n(C)n1 ZINC001608005144 1019065242 /nfs/dbraw/zinc/06/52/42/1019065242.db2.gz SRFHAVGKCSEDHI-UHFFFAOYSA-N -1 0 319.321 -0.392 20 0 DBADRM Cc1noc(CCCNC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC001608026560 1019065598 /nfs/dbraw/zinc/06/55/98/1019065598.db2.gz YBSJBAHXVFZLHV-PSASIEDQSA-N -1 0 324.337 -0.394 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@H](CF)C(=O)[O-] ZINC001608023494 1019065647 /nfs/dbraw/zinc/06/56/47/1019065647.db2.gz JYFYASJWSVVPLF-SSDOTTSWSA-N -1 0 323.302 -0.891 20 0 DBADRM Cc1nnccc1C(=O)NCC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608017616 1019065776 /nfs/dbraw/zinc/06/57/76/1019065776.db2.gz FVIZIJYTKXOURE-RYUDHWBXSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1noc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001608019767 1019065945 /nfs/dbraw/zinc/06/59/45/1019065945.db2.gz LNXUKQAFCIWEJD-ZDUSSCGKSA-N -1 0 310.310 -0.620 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)n1C ZINC001608016415 1019066063 /nfs/dbraw/zinc/06/60/63/1019066063.db2.gz NOSGIUUSUPEZNN-DTORHVGOSA-N -1 0 309.326 -0.939 20 0 DBADRM Cc1n[nH]c(=O)c(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1C ZINC001608017992 1019067628 /nfs/dbraw/zinc/06/76/28/1019067628.db2.gz BPGVPQRYQMDKTJ-UWVGGRQHSA-N -1 0 324.337 -0.224 20 0 DBADRM Cn1cnn(CCC(=O)N[C@]2(C(=O)[O-])CCSC2)c1=O ZINC001608137591 1019090509 /nfs/dbraw/zinc/09/05/09/1019090509.db2.gz QADCLNTUBKEGSG-LLVKDONJSA-N -1 0 300.340 -0.952 20 0 DBADRM Cc1oc(CNC(=O)[C@H](C)NS(C)(=O)=O)cc1C(=O)[O-] ZINC001608047425 1019070846 /nfs/dbraw/zinc/07/08/46/1019070846.db2.gz QXDRTTGMTVCQQL-LURJTMIESA-N -1 0 304.324 -0.160 20 0 DBADRM Cc1occc1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001608056204 1019071734 /nfs/dbraw/zinc/07/17/34/1019071734.db2.gz WZKKDGCIVQBGHE-NEPJUHHUSA-N -1 0 324.333 -0.141 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N(C2CC2)C2(C(=O)[O-])CCC2)c1=O ZINC001608077853 1019071791 /nfs/dbraw/zinc/07/17/91/1019071791.db2.gz MQHZGJGODLKFIE-UHFFFAOYSA-N -1 0 321.333 -0.455 20 0 DBADRM Cc1oc(S(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)cc1C(=O)[O-] ZINC001608055706 1019071867 /nfs/dbraw/zinc/07/18/67/1019071867.db2.gz CIUOHKQVSAZTGA-IUCAKERBSA-N -1 0 319.335 -0.492 20 0 DBADRM Cn1c(=O)ccn(CC(=O)O[C@@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)c1=O ZINC001608077744 1019072823 /nfs/dbraw/zinc/07/28/23/1019072823.db2.gz HFVSUFSKYGPOBC-LMLFDSFASA-N -1 0 322.317 -0.411 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[C@@H]3C(=O)[O-])cnc21 ZINC001608075987 1019073595 /nfs/dbraw/zinc/07/35/95/1019073595.db2.gz MCCCCMTZZSPQGY-MRVPVSSYSA-N -1 0 304.262 -0.667 20 0 DBADRM Cn1c(=O)oc2cc(NC(=O)NCC(=O)NCC(=O)[O-])ccc21 ZINC001608077214 1019073756 /nfs/dbraw/zinc/07/37/56/1019073756.db2.gz JDSUSIMCVKCTSS-UHFFFAOYSA-N -1 0 322.277 -0.546 20 0 DBADRM Cn1c(=O)ccn(CC(=O)OC[C@H]2CCCC[C@@H]2C(=O)[O-])c1=O ZINC001608077900 1019073813 /nfs/dbraw/zinc/07/38/13/1019073813.db2.gz NNLGCISDOAFHEI-MNOVXSKESA-N -1 0 324.333 -0.019 20 0 DBADRM Cc1ocnc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001608056609 1019073873 /nfs/dbraw/zinc/07/38/73/1019073873.db2.gz OIDJMSFNQRJEKB-NXEZZACHSA-N -1 0 307.306 -0.013 20 0 DBADRM Cn1c([C@@H]2CC=C[C@H](O)C2)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001608091699 1019074297 /nfs/dbraw/zinc/07/42/97/1019074297.db2.gz GMMDVRKUYLDWLC-OUAUKWLOSA-N -1 0 308.338 -0.101 20 0 DBADRM Cn1c([C@@H]2SCCNC2=O)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001608086693 1019074448 /nfs/dbraw/zinc/07/44/48/1019074448.db2.gz DDDPQVRSVKGLTQ-YUMQZZPRSA-N -1 0 311.367 -0.370 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCO[C@@H](Cn2ccnn2)C1 ZINC001608082464 1019074553 /nfs/dbraw/zinc/07/45/53/1019074553.db2.gz GZTARAWHTANKAU-SNVBAGLBSA-N -1 0 319.321 -0.144 20 0 DBADRM Cn1c(CO)nc2cc(C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])ccc21 ZINC001608089363 1019075170 /nfs/dbraw/zinc/07/51/70/1019075170.db2.gz BRMVSORDWBWLSD-SKDRFNHKSA-N -1 0 319.317 -0.274 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001608082900 1019076022 /nfs/dbraw/zinc/07/60/22/1019076022.db2.gz LXMPGDMNZOLCBK-MRVPVSSYSA-N -1 0 315.351 -0.526 20 0 DBADRM Cn1cc(-c2ncc(C(=O)NCC(=O)NCC(=O)[O-])s2)cn1 ZINC001608094831 1019076329 /nfs/dbraw/zinc/07/63/29/1019076329.db2.gz QISGMQRLXOQXHX-UHFFFAOYSA-N -1 0 323.334 -0.526 20 0 DBADRM Cn1c(CN2CCC[C@H]2CS(N)(=O)=O)ccc1C(=O)[O-] ZINC001608086449 1019076702 /nfs/dbraw/zinc/07/67/02/1019076702.db2.gz BAHFBCXWSMLEPQ-JTQLQIEISA-N -1 0 301.368 -0.024 20 0 DBADRM Cn1cc(C(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])n(C)c1=O ZINC001608098230 1019076935 /nfs/dbraw/zinc/07/69/35/1019076935.db2.gz NQCCBYGWSXFWMD-JTQLQIEISA-N -1 0 311.338 -0.277 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)n1 ZINC001608099404 1019076982 /nfs/dbraw/zinc/07/69/82/1019076982.db2.gz SZSZCMJVKCODKE-ZCFIWIBFSA-N -1 0 317.327 -0.987 20 0 DBADRM Cn1cc(C(=O)N2CCN(c3ccc(C(=O)[O-])nn3)CC2)nn1 ZINC001608096094 1019077043 /nfs/dbraw/zinc/07/70/43/1019077043.db2.gz DOGKXCKSBWPAES-UHFFFAOYSA-N -1 0 317.309 -0.734 20 0 DBADRM Cn1cc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001608098111 1019077208 /nfs/dbraw/zinc/07/72/08/1019077208.db2.gz ILWYFBQJUQVRAW-MEBBXXQBSA-N -1 0 323.349 -0.153 20 0 DBADRM Cn1cc(C(=O)NCc2ccc(C(=O)[O-])cn2)c(=O)n(C)c1=O ZINC001608098836 1019077414 /nfs/dbraw/zinc/07/74/14/1019077414.db2.gz SEGNRNYBHDCZPC-UHFFFAOYSA-N -1 0 318.289 -0.893 20 0 DBADRM Cn1cc(C(=O)CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cn1 ZINC001608097223 1019077516 /nfs/dbraw/zinc/07/75/16/1019077516.db2.gz SSFXNRKQLJVUDM-OTSSQURYSA-N -1 0 301.324 -0.615 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001608097638 1019077560 /nfs/dbraw/zinc/07/75/60/1019077560.db2.gz DJNBUNVVJRYWJR-HKWIRBFKSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001608096847 1019077562 /nfs/dbraw/zinc/07/75/62/1019077562.db2.gz UCMPQTXJZGOYSD-RTHLEPHNSA-N -1 0 307.306 -0.187 20 0 DBADRM Cn1cc(C(=O)NCC2(CC(=O)[O-])CCOCC2)n(C)c1=O ZINC001608097912 1019077669 /nfs/dbraw/zinc/07/76/69/1019077669.db2.gz BLIXVLHRJIKPEA-UHFFFAOYSA-N -1 0 311.338 -0.275 20 0 DBADRM Cn1cc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001608098110 1019077867 /nfs/dbraw/zinc/07/78/67/1019077867.db2.gz ILWYFBQJUQVRAW-BONVTDFDSA-N -1 0 323.349 -0.153 20 0 DBADRM Cn1cc(/C=C\C(=O)O[C@H](C(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC001608107114 1019078434 /nfs/dbraw/zinc/07/84/34/1019078434.db2.gz MNMUFCLTWHDYNT-GZTOBOFZSA-N -1 0 308.290 -0.496 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)N3CCC(O)(C(=O)[O-])CC3)C2)cn1 ZINC001608106749 1019078819 /nfs/dbraw/zinc/07/88/19/1019078819.db2.gz GWAPVVGJFNNQBF-LLVKDONJSA-N -1 0 322.321 -0.649 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)N3CCO[C@@H](CC(=O)[O-])C3)C2)cn1 ZINC001608106132 1019078896 /nfs/dbraw/zinc/07/88/96/1019078896.db2.gz CBHRKCATMCHFJW-JQWIXIFHSA-N -1 0 322.321 -0.385 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)CCCn2ccc(C(=O)[O-])n2)cn1 ZINC001608106557 1019079316 /nfs/dbraw/zinc/07/93/16/1019079316.db2.gz XBSHPMGLBVRBGL-LBPRGKRZSA-N -1 0 321.337 -0.055 20 0 DBADRM Cn1cc(CC(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cn1 ZINC001608106395 1019080217 /nfs/dbraw/zinc/08/02/17/1019080217.db2.gz CCXZXFAPQCYHFE-WDEREUQCSA-N -1 0 320.349 -0.552 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)N3CCO[C@@H](CC(=O)[O-])C3)C2)cn1 ZINC001608106129 1019080570 /nfs/dbraw/zinc/08/05/70/1019080570.db2.gz CBHRKCATMCHFJW-CMPLNLGQSA-N -1 0 322.321 -0.385 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])cn1 ZINC001608110406 1019081440 /nfs/dbraw/zinc/08/14/40/1019081440.db2.gz TYLWDZLJLDHNLS-NSHDSACASA-N -1 0 308.338 -0.456 20 0 DBADRM Cn1cc(Cl)c(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])n1 ZINC001608113394 1019081829 /nfs/dbraw/zinc/08/18/29/1019081829.db2.gz FCSQOXDFXYYLLW-QMMMGPOBSA-N -1 0 314.729 -0.121 20 0 DBADRM Cn1cc(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001608112126 1019082007 /nfs/dbraw/zinc/08/20/07/1019082007.db2.gz UNHWGXURXGKIJR-BDAKNGLRSA-N -1 0 309.322 -0.007 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCCOCC(=O)[O-])c(C2CC2)n1 ZINC001608116560 1019082669 /nfs/dbraw/zinc/08/26/69/1019082669.db2.gz UXODIDCVMTYYEW-UHFFFAOYSA-N -1 0 310.310 -0.547 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)NC[C@H]3C[C@H]3C(=O)[O-])CC2=O)cn1 ZINC001608117713 1019082843 /nfs/dbraw/zinc/08/28/43/1019082843.db2.gz RJQBEROAUBRQOC-FXPVBKGRSA-N -1 0 306.322 -0.390 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N[C@H](CCF)C(=O)[O-])CC2=O)cn1 ZINC001608117095 1019083136 /nfs/dbraw/zinc/08/31/36/1019083136.db2.gz GNWZHJAJJMASNK-WCBMZHEXSA-N -1 0 312.301 -0.298 20 0 DBADRM Cn1cc(Cc2nnc(N3CCO[C@H](C(=O)[O-])C3)n2C)cn1 ZINC001608113230 1019083242 /nfs/dbraw/zinc/08/32/42/1019083242.db2.gz BLJYHDUVCQSGME-JTQLQIEISA-N -1 0 306.326 -0.571 20 0 DBADRM CN(C(=O)C(=O)Nc1ccc(=O)n(C)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001608116339 1019083488 /nfs/dbraw/zinc/08/34/88/1019083488.db2.gz DVMNWAJMQQABGF-WAAGHKOSSA-N -1 0 307.306 -0.355 20 0 DBADRM Cn1cc(CNC(=O)Nc2cccc(C(=O)[O-])n2)c(=O)[nH]c1=O ZINC001608112959 1019083507 /nfs/dbraw/zinc/08/35/07/1019083507.db2.gz AHUKPZRBIDXURR-UHFFFAOYSA-N -1 0 319.277 -0.099 20 0 DBADRM Cn1cc(NC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)cn1 ZINC001608119836 1019084103 /nfs/dbraw/zinc/08/41/03/1019084103.db2.gz UQLNVXKSRLMJGC-GZMMTYOYSA-N -1 0 316.339 -0.571 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cn1 ZINC001608120627 1019084305 /nfs/dbraw/zinc/08/43/05/1019084305.db2.gz NOQZQLCMZVCYPQ-SNVBAGLBSA-N -1 0 303.340 -0.734 20 0 DBADRM Cn1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001608123887 1019084422 /nfs/dbraw/zinc/08/44/22/1019084422.db2.gz XPRCFXWRCYXLHX-MNOVXSKESA-N -1 0 321.333 -0.951 20 0 DBADRM Cn1ccc(=O)n(CCCNC(=O)c2ccc(C(=O)[O-])[nH]2)c1=O ZINC001608123369 1019084871 /nfs/dbraw/zinc/08/48/71/1019084871.db2.gz HCNPOXVBUZDPLW-UHFFFAOYSA-N -1 0 320.305 -0.607 20 0 DBADRM Cn1cc(NC(=O)c2cccc(C(=O)[O-])n2)c(=O)n(C)c1=O ZINC001608121065 1019085275 /nfs/dbraw/zinc/08/52/75/1019085275.db2.gz ZZUJIBIBHFNZPO-UHFFFAOYSA-N -1 0 304.262 -0.571 20 0 DBADRM Cn1cnc(/C=C/C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC001608133734 1019086682 /nfs/dbraw/zinc/08/66/82/1019086682.db2.gz HQDCZGSYANWWSS-VMZHVLLKSA-N -1 0 313.335 -0.857 20 0 DBADRM Cn1ccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)cc1=O ZINC001608130067 1019087540 /nfs/dbraw/zinc/08/75/40/1019087540.db2.gz DZXSUWPCVDGDHP-JTQLQIEISA-N -1 0 307.306 -0.353 20 0 DBADRM Cn1cnc(C(=O)NC[C@@H](O)CNc2ncc(C(=O)[O-])cn2)c1 ZINC001608133433 1019087630 /nfs/dbraw/zinc/08/76/30/1019087630.db2.gz DQOMOVXYPROCFF-SECBINFHSA-N -1 0 320.309 -0.889 20 0 DBADRM Cn1ccnc1CN1CCC(C(=O)NCC[C@H](O)C(=O)[O-])CC1 ZINC001608132278 1019087964 /nfs/dbraw/zinc/08/79/64/1019087964.db2.gz CEOBEMNXSAACKD-LBPRGKRZSA-N -1 0 324.381 -0.416 20 0 DBADRM Cn1cnc(C(=O)N2CCN(c3ccc(C(=O)[O-])nn3)CC2)n1 ZINC001608133965 1019088700 /nfs/dbraw/zinc/08/87/00/1019088700.db2.gz LGPBZTKHRPQDFF-UHFFFAOYSA-N -1 0 317.309 -0.734 20 0 DBADRM Cn1ccc([C@@H](NC(=O)c2cnc3c(c2)nnn3C)C(=O)[O-])n1 ZINC001608127381 1019088921 /nfs/dbraw/zinc/08/89/21/1019088921.db2.gz YGSUPYVLOPODJX-SNVBAGLBSA-N -1 0 315.293 -0.348 20 0 DBADRM Cn1cnc(/C=C/C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1 ZINC001608134924 1019089095 /nfs/dbraw/zinc/08/90/95/1019089095.db2.gz YQGMMPFYGFVSLD-ZWNMCFTASA-N -1 0 306.322 -0.375 20 0 DBADRM Cn1cnn(CC(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])c1=O ZINC001608137685 1019089467 /nfs/dbraw/zinc/08/94/67/1019089467.db2.gz SNNWEUMSGWGXRP-NSHDSACASA-N -1 0 305.290 -0.179 20 0 DBADRM Cn1cnn(CC(=O)Nc2ncc(C(=O)[O-])cc2Cl)c1=O ZINC001608137557 1019090162 /nfs/dbraw/zinc/09/01/62/1019090162.db2.gz ONELQYMDMYRFLC-UHFFFAOYSA-N -1 0 311.685 -0.033 20 0 DBADRM Cn1cncc1CC(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608136277 1019090075 /nfs/dbraw/zinc/09/00/75/1019090075.db2.gz IXZIOJJCLVCYRS-NEPJUHHUSA-N -1 0 320.349 -0.742 20 0 DBADRM Cn1cnn(CC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1=O ZINC001608137504 1019091737 /nfs/dbraw/zinc/09/17/37/1019091737.db2.gz NESCRSCIKDVEPI-SNVBAGLBSA-N -1 0 322.243 -0.553 20 0 DBADRM Cn1cnnc1[C@@H](CO)NS(=O)(=O)CCCCCC(=O)[O-] ZINC001608138712 1019091859 /nfs/dbraw/zinc/09/18/59/1019091859.db2.gz KQSXDOSTTGTZLP-SECBINFHSA-N -1 0 320.371 -0.587 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)NC[C@H](CO)[C@H]1CCOC1 ZINC001608143615 1019092211 /nfs/dbraw/zinc/09/22/11/1019092211.db2.gz HXTGEJOHFXGSBB-DTWKUNHWSA-N -1 0 312.326 -0.115 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)C1CCS(=O)(=O)CC1 ZINC001608144104 1019092254 /nfs/dbraw/zinc/09/22/54/1019092254.db2.gz MLFMAKZRNDICGO-UHFFFAOYSA-N -1 0 301.324 -0.118 20 0 DBADRM Cn1nc(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)cc1C(=O)[O-] ZINC001608149016 1019092293 /nfs/dbraw/zinc/09/22/93/1019092293.db2.gz TXBJCRZRCJOIBT-ZCFIWIBFSA-N -1 0 306.282 -0.384 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001608146832 1019092311 /nfs/dbraw/zinc/09/23/11/1019092311.db2.gz CUVIDAPBYVKOJD-VIFPVBQESA-N -1 0 321.337 -0.963 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC(C2CS(=O)(=O)C2)C1 ZINC001608142207 1019092548 /nfs/dbraw/zinc/09/25/48/1019092548.db2.gz RDLXWHGFZPRZCK-UHFFFAOYSA-N -1 0 313.335 -0.765 20 0 DBADRM Cn1cnnc1CN1CCC2(CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)C1 ZINC001608139440 1019092927 /nfs/dbraw/zinc/09/29/27/1019092927.db2.gz SJDKCSWIMVZRKV-WDEREUQCSA-N -1 0 319.365 -0.430 20 0 DBADRM Cn1ncc(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1N ZINC001608153349 1019093849 /nfs/dbraw/zinc/09/38/49/1019093849.db2.gz IJGUOMIRLKLOAL-MRVPVSSYSA-N -1 0 319.325 -0.231 20 0 DBADRM Cn1nc2c(c1C(=O)N1CC[C@@](O)(C(=O)[O-])C1)CSCC2 ZINC001608151603 1019093893 /nfs/dbraw/zinc/09/38/93/1019093893.db2.gz PNBLSYPVBUYBPR-ZDUSSCGKSA-N -1 0 311.363 -0.129 20 0 DBADRM Cn1ncc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])c1C(F)F ZINC001608153376 1019093973 /nfs/dbraw/zinc/09/39/73/1019093973.db2.gz KPQDVRFMEIGNDT-SSDOTTSWSA-N -1 0 314.252 -0.168 20 0 DBADRM Cn1ncc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001608155281 1019094203 /nfs/dbraw/zinc/09/42/03/1019094203.db2.gz HDPUVJAPBLHPIS-UTINFBMNSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1ncc(Br)c1CC(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001608152861 1019094578 /nfs/dbraw/zinc/09/45/78/1019094578.db2.gz AHUWDRYBMJIOQS-JTQLQIEISA-N -1 0 320.143 -0.323 20 0 DBADRM Cn1nc2c(c1NC(=O)C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])CCC2 ZINC001608151518 1019094768 /nfs/dbraw/zinc/09/47/68/1019094768.db2.gz LLEYLSXSQICSHA-XVKPBYJWSA-N -1 0 324.312 -0.129 20 0 DBADRM Cn1ncc(C(=O)N2CCN(c3ccc(C(=O)[O-])nn3)CC2)n1 ZINC001608153028 1019094918 /nfs/dbraw/zinc/09/49/18/1019094918.db2.gz ASPWVYWLIFSABR-UHFFFAOYSA-N -1 0 317.309 -0.734 20 0 DBADRM Cn1ncc(CN2CCC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001608157328 1019095326 /nfs/dbraw/zinc/09/53/26/1019095326.db2.gz AIJKHLVZVAAJOQ-CHWSQXEVSA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC001608154678 1019095520 /nfs/dbraw/zinc/09/55/20/1019095520.db2.gz FUIMLVHAWIMDAV-SSDOTTSWSA-N -1 0 316.339 -0.231 20 0 DBADRM Cn1ncc(C(=O)N[C@@H]2CCN(c3ccnc(C(=O)[O-])n3)C2)n1 ZINC001608155300 1019095697 /nfs/dbraw/zinc/09/56/97/1019095697.db2.gz HSZZEXMFVBIGRJ-MRVPVSSYSA-N -1 0 317.309 -0.688 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)c1cnc2c(c1)nnn2C)C(=O)[O-] ZINC001608163375 1019096562 /nfs/dbraw/zinc/09/65/62/1019096562.db2.gz SLPVXSCZXXVQTB-SNVBAGLBSA-N -1 0 315.293 -0.348 20 0 DBADRM Cn1nccc1COCC(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001608165133 1019097252 /nfs/dbraw/zinc/09/72/52/1019097252.db2.gz GYAZSPXWGDLBAN-LBPRGKRZSA-N -1 0 307.310 -0.388 20 0 DBADRM Cn1ncc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001608158336 1019097785 /nfs/dbraw/zinc/09/77/85/1019097785.db2.gz ZZZVVGQEGKVBOR-YVECIDJPSA-N -1 0 319.365 -0.289 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N1CCC(O)(C(=O)[O-])CC1)CC2 ZINC001608161007 1019097823 /nfs/dbraw/zinc/09/78/23/1019097823.db2.gz YWKQQIFYAMZVGE-SNVBAGLBSA-N -1 0 307.350 -0.037 20 0 DBADRM Cn1nccc1[C@@H](O)CNC(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001608164620 1019098566 /nfs/dbraw/zinc/09/85/66/1019098566.db2.gz QHQKNYSEQVWWIU-VIFPVBQESA-N -1 0 306.282 -0.237 20 0 DBADRM Cn1ncc2c1nc(SCC(=O)NCCC(=O)[O-])[nH]c2=O ZINC001608160945 1019098588 /nfs/dbraw/zinc/09/85/88/1019098588.db2.gz XDKOXFYFFOUFJY-UHFFFAOYSA-N -1 0 311.323 -0.248 20 0 DBADRM Cn1nncc1CN1CC=C(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608168010 1019099073 /nfs/dbraw/zinc/09/90/73/1019099073.db2.gz NIYSVUWKJTUOIE-STQMWFEESA-N -1 0 319.365 -0.216 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC001608166286 1019099382 /nfs/dbraw/zinc/09/93/82/1019099382.db2.gz CKOPJSUVMFYEQN-UHFFFAOYSA-N -1 0 303.278 -0.748 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)NCCC(=O)NCCC(=O)[O-])CC2 ZINC001608166962 1019099863 /nfs/dbraw/zinc/09/98/63/1019099863.db2.gz DABXJYKDELZNNK-VIFPVBQESA-N -1 0 323.353 -0.983 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001608167372 1019100244 /nfs/dbraw/zinc/10/02/44/1019100244.db2.gz DISITHSVPQHRRB-UHFFFAOYSA-N -1 0 303.278 -0.748 20 0 DBADRM Cn1nnc2cc(NC(=O)C(=O)NCCOCC(=O)[O-])ccc21 ZINC001608167612 1019101631 /nfs/dbraw/zinc/10/16/31/1019101631.db2.gz GWFLLRGTOKQRIQ-UHFFFAOYSA-N -1 0 321.293 -0.876 20 0 DBADRM Cn1nnc2ccc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])cc21 ZINC001608167274 1019101762 /nfs/dbraw/zinc/10/17/62/1019101762.db2.gz BLKALTPDZJGONI-NSHDSACASA-N -1 0 317.305 -0.616 20 0 DBADRM NC(=O)[C@H]1CC(C(=O)N2CC[C@H]2C(=O)[O-])=NN1c1ccccc1 ZINC001608228983 1019114466 /nfs/dbraw/zinc/11/44/66/1019114466.db2.gz BYRUKNURPJQKMK-NWDGAFQWSA-N -1 0 316.317 -0.208 20 0 DBADRM NC(=O)C(=O)N1CCC[C@H]2[C@H]1CCN2c1ncc(C(=O)[O-])cn1 ZINC001608227329 1019114619 /nfs/dbraw/zinc/11/46/19/1019114619.db2.gz MJKAWLJFPGNKHA-VHSXEESVSA-N -1 0 319.321 -0.770 20 0 DBADRM NC(=O)C1(C(=O)N2CCC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)CC1 ZINC001608227761 1019116529 /nfs/dbraw/zinc/11/65/29/1019116529.db2.gz CZVQALNOXNDPJM-VHSXEESVSA-N -1 0 323.349 -0.920 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001608229375 1019118725 /nfs/dbraw/zinc/11/87/25/1019118725.db2.gz JORXSJQEHZNADI-BYDTYLDUSA-N -1 0 307.262 -0.263 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)NCCCCCCC(=O)[O-])CCO1 ZINC001608230340 1019120024 /nfs/dbraw/zinc/12/00/24/1019120024.db2.gz WBHFZAATSCBKEO-JTQLQIEISA-N -1 0 301.343 -0.083 20 0 DBADRM NC(=O)CC(=O)NC1CCC(Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001608229459 1019120115 /nfs/dbraw/zinc/12/01/15/1019120115.db2.gz KFXRTZBXUYSBRA-UHFFFAOYSA-N -1 0 321.337 -0.689 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)NCCSCC(=O)[O-])CCO1 ZINC001608231483 1019121276 /nfs/dbraw/zinc/12/12/76/1019121276.db2.gz FKORNVRLHHJFME-MRVPVSSYSA-N -1 0 305.356 -0.910 20 0 DBADRM NC(=O)CN1CCC[C@H](NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC001608234421 1019122025 /nfs/dbraw/zinc/12/20/25/1019122025.db2.gz FSFHUXPQRFCLJW-SRVKXCTJSA-N -1 0 311.382 -0.057 20 0 DBADRM NC(=O)CN1Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])cc2C1 ZINC001608235075 1019122116 /nfs/dbraw/zinc/12/21/16/1019122116.db2.gz SNCJWYKCPWFKPP-OLZOCXBDSA-N -1 0 317.345 -0.176 20 0 DBADRM NC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1=O ZINC001608234377 1019122944 /nfs/dbraw/zinc/12/29/44/1019122944.db2.gz CEPHUYIJMDKBQN-ZJUUUORDSA-N -1 0 311.338 -0.967 20 0 DBADRM NC(=O)C[C@H]1COCCN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC001608231681 1019122986 /nfs/dbraw/zinc/12/29/86/1019122986.db2.gz IKGDXHDZDZURIG-JTQLQIEISA-N -1 0 321.333 -0.101 20 0 DBADRM NC(=O)CC1(CNS(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC001608231511 1019123026 /nfs/dbraw/zinc/12/30/26/1019123026.db2.gz RXGRUBBSPRFSQK-UHFFFAOYSA-N -1 0 319.364 -0.225 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001608231765 1019123408 /nfs/dbraw/zinc/12/34/08/1019123408.db2.gz HSLAPLMWJYJKQZ-MNOVXSKESA-N -1 0 319.317 -0.049 20 0 DBADRM NC(=O)CN1CCN([C@H](C(=O)[O-])c2ccccc2F)CC1=O ZINC001608235060 1019123458 /nfs/dbraw/zinc/12/34/58/1019123458.db2.gz SAJZMVJYELNOLU-ZDUSSCGKSA-N -1 0 309.297 -0.419 20 0 DBADRM NC(=O)CN1CCC[C@H](NC(=O)CCc2ocnc2C(=O)[O-])C1 ZINC001608234928 1019123615 /nfs/dbraw/zinc/12/36/15/1019123615.db2.gz QEURAGNVKCGFGV-VIFPVBQESA-N -1 0 324.337 -0.629 20 0 DBADRM NC(=O)[C@@]1(O)CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001608231184 1019124105 /nfs/dbraw/zinc/12/41/05/1019124105.db2.gz ZQOZUKOPJYOMMP-CQSZACIVSA-N -1 0 307.306 -0.755 20 0 DBADRM NC(=O)Cn1cc(CNCc2ccc(C(=O)[O-])cc2F)nn1 ZINC001608237444 1019125600 /nfs/dbraw/zinc/12/56/00/1019125600.db2.gz ZXKBUZGTEKOQLN-UHFFFAOYSA-N -1 0 307.285 -0.110 20 0 DBADRM NC(=O)CSc1ccccc1C(=O)NCC[C@H](O)C(=O)[O-] ZINC001608235724 1019125825 /nfs/dbraw/zinc/12/58/25/1019125825.db2.gz CZXGVNQCDPGTIZ-VIFPVBQESA-N -1 0 312.347 -0.171 20 0 DBADRM NC(=O)N[C@@H]1CCN(C(=O)Nc2nc3n(c2C(=O)[O-])CCC3)C1 ZINC001608238235 1019126507 /nfs/dbraw/zinc/12/65/07/1019126507.db2.gz OKXTTZYWXQIGBD-SSDOTTSWSA-N -1 0 322.325 -0.198 20 0 DBADRM NC(=O)N1CC[C@@H](CNS(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001608236777 1019127193 /nfs/dbraw/zinc/12/71/93/1019127193.db2.gz HEHJAZSZMNPMCY-ZETCQYMHSA-N -1 0 317.323 -0.343 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)CC1=O ZINC001608235291 1019127494 /nfs/dbraw/zinc/12/74/94/1019127494.db2.gz ZQZBLEGVSAPSSR-UHFFFAOYSA-N -1 0 323.280 -0.706 20 0 DBADRM NC(=O)Cn1cc(CNCc2ccc(Cl)c(C(=O)[O-])n2)nn1 ZINC001608236764 1019127575 /nfs/dbraw/zinc/12/75/75/1019127575.db2.gz HBNLYUKEEONOML-UHFFFAOYSA-N -1 0 324.728 -0.200 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001608240843 1019128731 /nfs/dbraw/zinc/12/87/31/1019128731.db2.gz MDVPYHVGKMPTJT-UHFFFAOYSA-N -1 0 323.305 -0.406 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)c1 ZINC001608240944 1019128749 /nfs/dbraw/zinc/12/87/49/1019128749.db2.gz OLYUWODTKCEZGM-UHFFFAOYSA-N -1 0 320.305 -0.051 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])nc1 ZINC001608242881 1019129055 /nfs/dbraw/zinc/12/90/55/1019129055.db2.gz IAGGCKOQMKJRSE-SNVBAGLBSA-N -1 0 303.278 -0.740 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)nc1Cl ZINC001608242862 1019129103 /nfs/dbraw/zinc/12/91/03/1019129103.db2.gz GVHLXXVBKHLTIY-HROTXWNQSA-N -1 0 313.697 -0.458 20 0 DBADRM NC(=O)[C@H]1CCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001608239987 1019129977 /nfs/dbraw/zinc/12/99/77/1019129977.db2.gz MQJIQKRNWQUTTN-RXMQYKEDSA-N -1 0 305.337 -0.520 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])O1 ZINC001608240987 1019130384 /nfs/dbraw/zinc/13/03/84/1019130384.db2.gz UPGWLVFBWWGDKQ-GARJFASQSA-N -1 0 314.338 -0.595 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](N2C(=O)[C@H]3CC[C@H](C(=O)[O-])CN3C2=O)C1 ZINC001608240141 1019130512 /nfs/dbraw/zinc/13/05/12/1019130512.db2.gz OMXUSPPHEBTFNZ-AXTSPUMRSA-N -1 0 309.322 -0.232 20 0 DBADRM NC(=O)c1cc(N2C[C@H](O)C[C@H](C(=O)[O-])C2)nc(Cl)n1 ZINC001608241420 1019130551 /nfs/dbraw/zinc/13/05/51/1019130551.db2.gz LREOOIBVYUBRIO-NTSWFWBYSA-N -1 0 300.702 -0.499 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)NCc2cccc(OCC(=O)[O-])c2)O1 ZINC001608239949 1019130934 /nfs/dbraw/zinc/13/09/34/1019130934.db2.gz LUTQCDBUKRYDHR-NEPJUHHUSA-N -1 0 322.317 -0.201 20 0 DBADRM NC(=O)c1ccc(CC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)cn1 ZINC001608242561 1019130993 /nfs/dbraw/zinc/13/09/93/1019130993.db2.gz GNQVTVGUSCNOSJ-XVKPBYJWSA-N -1 0 313.260 -0.195 20 0 DBADRM NC(=O)c1ccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cn1 ZINC001608244493 1019133074 /nfs/dbraw/zinc/13/30/74/1019133074.db2.gz FYBGYBOOVPBOBM-APPZFPTMSA-N -1 0 308.294 -0.520 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001608245827 1019133287 /nfs/dbraw/zinc/13/32/87/1019133287.db2.gz QNVXGEDODCXQCT-QMMMGPOBSA-N -1 0 317.305 -0.235 20 0 DBADRM NC(=O)c1ccc(CCC(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)cc1 ZINC001608242964 1019133574 /nfs/dbraw/zinc/13/35/74/1019133574.db2.gz MVJBMHWKECFODA-WGRBQBNCSA-N -1 0 306.318 -0.188 20 0 DBADRM NC(=O)c1cnc(NC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])s1 ZINC001608247038 1019134079 /nfs/dbraw/zinc/13/40/79/1019134079.db2.gz PWQHEXLCFMMSEY-UJURSFKZSA-N -1 0 300.296 -0.394 20 0 DBADRM NC(=O)c1csc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])c1 ZINC001608246126 1019134262 /nfs/dbraw/zinc/13/42/62/1019134262.db2.gz VMDWFVSJQLUHMU-ZETCQYMHSA-N -1 0 309.307 -0.678 20 0 DBADRM NC(=O)c1ccc(F)c(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)c1 ZINC001608244125 1019134465 /nfs/dbraw/zinc/13/44/65/1019134465.db2.gz FYLVXRHBBKDDLE-CYBMUJFWSA-N -1 0 311.269 -0.022 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC001608244747 1019134624 /nfs/dbraw/zinc/13/46/24/1019134624.db2.gz BYZCSBSHNCGLGE-SECBINFHSA-N -1 0 317.305 -0.189 20 0 DBADRM NC(=O)c1ncn(CC(=O)NCc2ccccc2CC(=O)[O-])n1 ZINC001608247324 1019136479 /nfs/dbraw/zinc/13/64/79/1019136479.db2.gz CSSFZGAOWOWBDA-UHFFFAOYSA-N -1 0 317.305 -0.680 20 0 DBADRM NCC(F)(F)CNC(=O)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001608253588 1019137760 /nfs/dbraw/zinc/13/77/60/1019137760.db2.gz YOXVVNCWTMSUBK-UHFFFAOYSA-N -1 0 321.305 -0.227 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C1 ZINC001608259541 1019139862 /nfs/dbraw/zinc/13/98/62/1019139862.db2.gz ODLLMXPNGAKHLT-LPEHRKFASA-N -1 0 319.383 -0.298 20 0 DBADRM NS(=O)(=O)C1(C(=O)NCc2ccc(CC(=O)[O-])cc2)CC1 ZINC001608257863 1019140434 /nfs/dbraw/zinc/14/04/34/1019140434.db2.gz CWSAAOBHMVNXRZ-UHFFFAOYSA-N -1 0 312.347 -0.249 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)NCCOCC(F)F ZINC001608329952 1019162865 /nfs/dbraw/zinc/16/28/65/1019162865.db2.gz KECKMSQNEKMCAO-MRVPVSSYSA-N -1 0 308.281 -0.293 20 0 DBADRM NS(=O)(=O)c1n[nH]cc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001608263789 1019143248 /nfs/dbraw/zinc/14/32/48/1019143248.db2.gz CTIZBXABRPJTPR-LURJTMIESA-N -1 0 302.312 -0.864 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)o1 ZINC001608261588 1019145368 /nfs/dbraw/zinc/14/53/68/1019145368.db2.gz MWPUVBUIHJCKOJ-KPCSLPGQSA-N -1 0 300.292 -0.670 20 0 DBADRM Nc1ncn(CC(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)n1 ZINC001608277666 1019147792 /nfs/dbraw/zinc/14/77/92/1019147792.db2.gz MOUUMZJOQZVDCI-JTQLQIEISA-N -1 0 303.278 -0.261 20 0 DBADRM Nc1nc(C2CC2)ncc1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001608275370 1019148008 /nfs/dbraw/zinc/14/80/08/1019148008.db2.gz IQIHGTTYOOYOGW-UHFFFAOYSA-N -1 0 317.309 -0.344 20 0 DBADRM Nc1c(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cnn1-c1ccccn1 ZINC001608266882 1019149596 /nfs/dbraw/zinc/14/95/96/1019149596.db2.gz LGQJFQSCFLSPHD-GXSJLCMTSA-N -1 0 317.305 -0.179 20 0 DBADRM Nc1nnn(CC(=O)N(CCc2ccccc2)CC(=O)[O-])n1 ZINC001608280127 1019150725 /nfs/dbraw/zinc/15/07/25/1019150725.db2.gz VNNMQUHJSWPOKU-UHFFFAOYSA-N -1 0 304.310 -0.589 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])c1 ZINC001608279537 1019150877 /nfs/dbraw/zinc/15/08/77/1019150877.db2.gz GPVSMUQGQTTZTO-WPRPVWTQSA-N -1 0 320.284 -0.288 20 0 DBADRM O=C([O-])c1nccc(N2C[C@@H](O)[C@H](NC(=O)C=C3CCC3)C2)n1 ZINC001608283930 1019151189 /nfs/dbraw/zinc/15/11/89/1019151189.db2.gz WEHJQJUNVRMKSM-GHMZBOCLSA-N -1 0 318.333 -0.049 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)CCCNC(=O)C1CC1 ZINC001608304093 1019155369 /nfs/dbraw/zinc/15/53/69/1019155369.db2.gz DBVQUAMGYLUYRG-LLVKDONJSA-N -1 0 308.338 -0.172 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001608304260 1019155489 /nfs/dbraw/zinc/15/54/89/1019155489.db2.gz HWMGYVYEQSWRET-JTQLQIEISA-N -1 0 311.338 -0.065 20 0 DBADRM O=C(CCCCN1CCOCC1)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001608302359 1019156159 /nfs/dbraw/zinc/15/61/59/1019156159.db2.gz AQNXLNSJQYACDQ-WCQYABFASA-N -1 0 300.355 -0.153 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)NC[C@H]1CCCS1(=O)=O ZINC001608322612 1019159430 /nfs/dbraw/zinc/15/94/30/1019159430.db2.gz TYMZTORFQLAPQQ-MRVPVSSYSA-N -1 0 316.335 -0.001 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)CCOC1CCOCC1 ZINC001608311227 1019159604 /nfs/dbraw/zinc/15/96/04/1019159604.db2.gz HKBJDFYBFLSKOS-NSHDSACASA-N -1 0 312.326 -0.567 20 0 DBADRM O=C([O-])[C@H](CCF)NC(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC001608320874 1019159708 /nfs/dbraw/zinc/15/97/08/1019159708.db2.gz HVUDGQCNXGIEPT-LURJTMIESA-N -1 0 312.261 -0.284 20 0 DBADRM O=C([O-])C1(NC(=O)CN2CCC(CO)CC2)CC(CO)C1 ZINC001608326817 1019162058 /nfs/dbraw/zinc/16/20/58/1019162058.db2.gz AMMGQSDNQSKUCZ-UHFFFAOYSA-N -1 0 300.355 -0.967 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC001608329932 1019162309 /nfs/dbraw/zinc/16/23/09/1019162309.db2.gz JQLOQXYSYMCLEQ-GRYCIOLGSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)N[C@H]1CC12CCOCC2 ZINC001608329993 1019162377 /nfs/dbraw/zinc/16/23/77/1019162377.db2.gz KXIZOUQRFCRYQF-MNOVXSKESA-N -1 0 310.350 -0.005 20 0 DBADRM O=C(CN1C(=O)CCC1=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001608326435 1019162528 /nfs/dbraw/zinc/16/25/28/1019162528.db2.gz OOWKHFFFKNXXLV-KGXJWFGYSA-N -1 0 324.333 -0.336 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCC1(C(=O)[O-])CC1 ZINC001608327541 1019162668 /nfs/dbraw/zinc/16/26/68/1019162668.db2.gz HOSPNWHBADLXGM-AOOOYVTPSA-N -1 0 306.318 -0.081 20 0 DBADRM O=C([O-])c1ncoc1CNC(=O)CN1CCCCC(=O)C1=O ZINC001608331797 1019163483 /nfs/dbraw/zinc/16/34/83/1019163483.db2.gz XQPUKJRHCIGHLU-UHFFFAOYSA-N -1 0 309.278 -0.429 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1CC(=O)NC(=O)NC1CCCC1 ZINC001608332239 1019163747 /nfs/dbraw/zinc/16/37/47/1019163747.db2.gz CVOVTICEVOABOM-CMPLNLGQSA-N -1 0 313.354 -0.335 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)CN2CCCS2(=O)=O)C1(F)F ZINC001608331574 1019163954 /nfs/dbraw/zinc/16/39/54/1019163954.db2.gz SLDJNZAEGSFGQO-XPUUQOCRSA-N -1 0 312.294 -0.896 20 0 DBADRM O=C([O-])C1(NC(=O)CN2CCN(c3ccccn3)CC2)CC1 ZINC001608333650 1019164850 /nfs/dbraw/zinc/16/48/50/1019164850.db2.gz LILUATJVHNJGFY-UHFFFAOYSA-N -1 0 304.350 -0.063 20 0 DBADRM O=C([O-])[C@]1(NC(=O)CNC(=O)c2cccnc2)CCSC1 ZINC001608338482 1019165515 /nfs/dbraw/zinc/16/55/15/1019165515.db2.gz LPCVNVLPTLDROC-ZDUSSCGKSA-N -1 0 309.347 -0.112 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)COCC(F)(F)F ZINC001608346570 1019166131 /nfs/dbraw/zinc/16/61/31/1019166131.db2.gz BHBXTEXPAFVMBK-ZCFIWIBFSA-N -1 0 301.217 -0.102 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)CNC(=O)c1ccccc1 ZINC001608338969 1019166404 /nfs/dbraw/zinc/16/64/04/1019166404.db2.gz VTEVJMRMUBDSOH-LBPRGKRZSA-N -1 0 316.317 -0.118 20 0 DBADRM O=C([O-])c1ccc(C(=O)OCC(=O)NC(=O)NC2CC2)cn1 ZINC001608346390 1019167001 /nfs/dbraw/zinc/16/70/01/1019167001.db2.gz GNLDTQIFQYEEGI-UHFFFAOYSA-N -1 0 307.262 -0.075 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NCCC(=O)N2CCOCC2)cn1 ZINC001608362200 1019168784 /nfs/dbraw/zinc/16/87/84/1019168784.db2.gz LEZDNSSIQNHKKZ-UHFFFAOYSA-N -1 0 321.333 -0.313 20 0 DBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001608353815 1019169729 /nfs/dbraw/zinc/16/97/29/1019169729.db2.gz CRNDZJNEXRZUNS-DKCNOQQISA-N -1 0 323.392 -0.999 20 0 DBADRM O=C([O-])c1c[nH]c(SCC(=O)NCC(=O)N2CCCC2)n1 ZINC001608357335 1019169928 /nfs/dbraw/zinc/16/99/28/1019169928.db2.gz ZGZRZIIOWFTVFS-UHFFFAOYSA-N -1 0 312.351 -0.061 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CSc2nnc3ccccn32)C1 ZINC001608355520 1019170367 /nfs/dbraw/zinc/17/03/67/1019170367.db2.gz JVVREGRIOMZFGN-UHFFFAOYSA-N -1 0 308.319 -0.521 20 0 DBADRM O=C(Cc1ccc(-n2cnnn2)cc1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001608360075 1019170638 /nfs/dbraw/zinc/17/06/38/1019170638.db2.gz CXZFHSVCJCEBTQ-VDISTLRHSA-N -1 0 317.305 -0.701 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)Cc2ncccc2F)C1 ZINC001608371905 1019172096 /nfs/dbraw/zinc/17/20/96/1019172096.db2.gz YCFPVBBESNSOLW-VHSXEESVSA-N -1 0 321.308 -0.189 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC001608372992 1019172704 /nfs/dbraw/zinc/17/27/04/1019172704.db2.gz BXACRZUCJWGPMW-VIFPVBQESA-N -1 0 309.253 -0.359 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)nn1 ZINC001608375352 1019173422 /nfs/dbraw/zinc/17/34/22/1019173422.db2.gz CJLKZULSEVUHNW-TVQRCGJNSA-N -1 0 310.310 -0.569 20 0 DBADRM O=C([O-])C1(C2(O)CCN(C(=O)Cn3ncnn3)CC2)CCC1 ZINC001608382001 1019176196 /nfs/dbraw/zinc/17/61/96/1019176196.db2.gz YDYCJJPYQXDBLS-UHFFFAOYSA-N -1 0 309.326 -0.719 20 0 DBADRM O=C([O-])c1occc1CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001608383112 1019176211 /nfs/dbraw/zinc/17/62/11/1019176211.db2.gz VGUMZOWWVBRCPJ-UHFFFAOYSA-N -1 0 320.305 -0.011 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)Cn2nc3n(c2=O)CCCC3)o1 ZINC001608383176 1019176349 /nfs/dbraw/zinc/17/63/49/1019176349.db2.gz YTQAKFRFXRVOKI-UHFFFAOYSA-N -1 0 320.305 -0.011 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001608402460 1019177947 /nfs/dbraw/zinc/17/79/47/1019177947.db2.gz HRIYEJGQQFSJQH-SSDOTTSWSA-N -1 0 300.225 -0.178 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001608402473 1019178090 /nfs/dbraw/zinc/17/80/90/1019178090.db2.gz HRIYEJGQQFSJQH-ZETCQYMHSA-N -1 0 300.225 -0.178 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001608397307 1019178353 /nfs/dbraw/zinc/17/83/53/1019178353.db2.gz TYDWPWMWUFUPSW-UWVGGRQHSA-N -1 0 309.322 -0.222 20 0 DBADRM O=C([O-])C1(NC(=O)c2nc3n(n2)CCCN3)CCSCC1 ZINC001608405923 1019179065 /nfs/dbraw/zinc/17/90/65/1019179065.db2.gz APMLSHMSWGKRQF-UHFFFAOYSA-N -1 0 311.367 -0.569 20 0 DBADRM O=C([O-])C1(NC(=O)C2=COCCO2)CCS(=O)(=O)CC1 ZINC001608405018 1019178919 /nfs/dbraw/zinc/17/89/19/1019178919.db2.gz DWQOXTQRWPLUKL-UHFFFAOYSA-N -1 0 305.308 -0.977 20 0 DBADRM O=C([O-])[C@@H](CC1CCOCC1)NC(=O)c1cnn(CCO)c1 ZINC001608396697 1019179681 /nfs/dbraw/zinc/17/96/81/1019179681.db2.gz OPEFNKIMRLKSRE-GFCCVEGCSA-N -1 0 311.338 -0.125 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001608396703 1019179700 /nfs/dbraw/zinc/17/97/00/1019179700.db2.gz OPVCJEMOCHIHRT-GZMMTYOYSA-N -1 0 309.322 -0.153 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001608402653 1019180195 /nfs/dbraw/zinc/18/01/95/1019180195.db2.gz JNASUAIACRDGHW-KWQFWETISA-N -1 0 304.310 -0.624 20 0 DBADRM O=C(CNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)N1CCCCC1 ZINC001608414731 1019181494 /nfs/dbraw/zinc/18/14/94/1019181494.db2.gz RYSDGONJBSCATI-MGCOHNPYSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CNC(=O)c1ccc(F)cc1 ZINC001608414421 1019181581 /nfs/dbraw/zinc/18/15/81/1019181581.db2.gz GTNCSAIWQUJJKH-NSHDSACASA-N -1 0 310.281 -0.133 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)no1 ZINC001608410229 1019181641 /nfs/dbraw/zinc/18/16/41/1019181641.db2.gz KQZUTTXJEBJNFX-ZETCQYMHSA-N -1 0 319.277 -0.123 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C3(C(=O)NC4CC4)CC3)C[C@H]1COCC2 ZINC001608407298 1019182220 /nfs/dbraw/zinc/18/22/20/1019182220.db2.gz WJZRYAJCGCMBKO-MGPLVRAMSA-N -1 0 322.361 -0.005 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCOC1 ZINC001608427637 1019184364 /nfs/dbraw/zinc/18/43/64/1019184364.db2.gz AAGLRNNOIDAIJP-OTYXRUKQSA-N -1 0 322.321 -0.630 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)C2=CCCC2)n1 ZINC001608424348 1019184516 /nfs/dbraw/zinc/18/45/16/1019184516.db2.gz LWEFGSISHIJCOI-SNVBAGLBSA-N -1 0 306.322 -0.404 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C1CCS(=O)(=O)CC1)[C@@H]1CCOC1 ZINC001608419715 1019184652 /nfs/dbraw/zinc/18/46/52/1019184652.db2.gz YDEIKIIRMAVPAR-MNOVXSKESA-N -1 0 319.379 -0.335 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccc[nH]2)C1 ZINC001608429821 1019185500 /nfs/dbraw/zinc/18/55/00/1019185500.db2.gz FXKRTUFWQVVLRI-BDAKNGLRSA-N -1 0 307.306 -0.962 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccccc2)C1 ZINC001608430918 1019185886 /nfs/dbraw/zinc/18/58/86/1019185886.db2.gz QULMSOXRDZJBQN-NEPJUHHUSA-N -1 0 318.329 -0.290 20 0 DBADRM O=C([O-])[C@H](CNC(=O)c1ccn2nnnc2c1)[C@H]1CCOC1 ZINC001608416792 1019185909 /nfs/dbraw/zinc/18/59/09/1019185909.db2.gz FPFSBTGJSPNBEX-VHSXEESVSA-N -1 0 305.294 -0.409 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)c2ccccn2)n1 ZINC001608425458 1019186355 /nfs/dbraw/zinc/18/63/55/1019186355.db2.gz YIJSGQRCHVPGBN-VIFPVBQESA-N -1 0 317.305 -0.806 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2cnns2)C1 ZINC001608438745 1019187230 /nfs/dbraw/zinc/18/72/30/1019187230.db2.gz MEBMADREFHFVPG-YUMQZZPRSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCC23COCCN2CCOC3)cn1 ZINC001608433397 1019187843 /nfs/dbraw/zinc/18/78/43/1019187843.db2.gz UPYJSOYSZDYWIB-UHFFFAOYSA-N -1 0 321.333 -0.389 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC001608431892 1019188414 /nfs/dbraw/zinc/18/84/14/1019188414.db2.gz HQZFTRJYZPUFLP-KXNHARMFSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NCC1CC1)Cc1ccncc1 ZINC001608433054 1019188547 /nfs/dbraw/zinc/18/85/47/1019188547.db2.gz PZFOUYHGHINZKK-GFCCVEGCSA-N -1 0 305.334 -0.033 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@H]1CCC2(CCC2)CO1 ZINC001608433789 1019188660 /nfs/dbraw/zinc/18/86/60/1019188660.db2.gz BRYCAUDRKICYAO-ZJUUUORDSA-N -1 0 316.329 -0.009 20 0 DBADRM O=C([O-])c1nccc(NCC=CCNC(=O)c2csnn2)n1 ZINC001608437414 1019189036 /nfs/dbraw/zinc/18/90/36/1019189036.db2.gz WWHCTGLPPSPUPI-UPHRSURJSA-N -1 0 320.334 -0.154 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)NC[C@]2(O)CCOC2)c1 ZINC001608431165 1019189048 /nfs/dbraw/zinc/18/90/48/1019189048.db2.gz WAYLRTSBJYXFEQ-GFCCVEGCSA-N -1 0 314.319 -0.348 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)c3ccncn3)CC2)n1 ZINC001608431266 1019189104 /nfs/dbraw/zinc/18/91/04/1019189104.db2.gz XQQGNDLSONKUMM-UHFFFAOYSA-N -1 0 314.305 -0.239 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NC[C@H]2COC3(CCCCC3)O2)C1 ZINC001608439073 1019189129 /nfs/dbraw/zinc/18/91/29/1019189129.db2.gz PRBKEVUXMVAFGI-JTQLQIEISA-N -1 0 314.338 -0.097 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC001608440420 1019190260 /nfs/dbraw/zinc/19/02/60/1019190260.db2.gz DEVUUQOPVOODJA-FPYNETTCSA-N -1 0 324.377 -0.167 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCCCO)c2ccccc2O1 ZINC001608443623 1019190393 /nfs/dbraw/zinc/19/03/93/1019190393.db2.gz RKTHIRKVAKBNFS-GFCCVEGCSA-N -1 0 322.317 -0.246 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCCc2ccco2)C1 ZINC001608454520 1019190495 /nfs/dbraw/zinc/19/04/95/1019190495.db2.gz KPRUNIWQTVJPLT-NXEZZACHSA-N -1 0 310.306 -0.768 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCCCOC(F)F)C1 ZINC001608444149 1019191038 /nfs/dbraw/zinc/19/10/38/1019191038.db2.gz JWMZKLWZHLCBOP-JGVFFNPUSA-N -1 0 324.280 -0.974 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)NCCOCCF)C2 ZINC001608447704 1019191331 /nfs/dbraw/zinc/19/13/31/1019191331.db2.gz FFAAQUFBZKAZRR-ZDMBXUJBSA-N -1 0 302.302 -0.542 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)NCCc2nnc[nH]2)ccc1F ZINC001608456015 1019191422 /nfs/dbraw/zinc/19/14/22/1019191422.db2.gz RCNHCFSNXNFIML-UHFFFAOYSA-N -1 0 321.268 -0.061 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C(=O)Nc2ccsc2)nn1 ZINC001608456020 1019191549 /nfs/dbraw/zinc/19/15/49/1019191549.db2.gz RIYGQXOGODEVFG-UHFFFAOYSA-N -1 0 309.307 -0.207 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001608457428 1019192275 /nfs/dbraw/zinc/19/22/75/1019192275.db2.gz LMWZRLAOTOXOMI-YUMQZZPRSA-N -1 0 313.289 -0.517 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCC(n2ccnc2)CC1 ZINC001608457284 1019192819 /nfs/dbraw/zinc/19/28/19/1019192819.db2.gz JLHMXZFFCCVLTK-JTQLQIEISA-N -1 0 312.301 -0.415 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC001608457502 1019193037 /nfs/dbraw/zinc/19/30/37/1019193037.db2.gz MMFTXZTVWXPCGL-WDEREUQCSA-N -1 0 316.329 -0.057 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001608459714 1019193066 /nfs/dbraw/zinc/19/30/66/1019193066.db2.gz NRIFACAGLHVKND-RYUDHWBXSA-N -1 0 322.317 -0.021 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)c2cccnn2)C1 ZINC001608461018 1019193970 /nfs/dbraw/zinc/19/39/70/1019193970.db2.gz QIASKBWKEICBRJ-DBIOUOCHSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)c2cnsn2)C1 ZINC001608461259 1019194000 /nfs/dbraw/zinc/19/40/00/1019194000.db2.gz RZDRPXXCFFXVRO-BGZDPUMWSA-N -1 0 324.362 -0.117 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCC[C@H](n2ccnc2)C1 ZINC001608460999 1019194267 /nfs/dbraw/zinc/19/42/67/1019194267.db2.gz PRMRQGFONPITBJ-GRYCIOLGSA-N -1 0 320.349 -0.117 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)C(=O)N3CCC[C@@H]3CO)[C@@H]2C1 ZINC001608492668 1019195184 /nfs/dbraw/zinc/19/51/84/1019195184.db2.gz ONPSXMRMEZOFBP-OOCWMUITSA-N -1 0 310.350 -0.415 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1ccc2n[nH]c(=S)n2c1 ZINC001608488908 1019195768 /nfs/dbraw/zinc/19/57/68/1019195768.db2.gz YWFNEZLHRWHVKI-IONNQARKSA-N -1 0 308.319 -0.010 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H]2C[C@@H](NC(=O)c3cnon3)C2)n1 ZINC001608492512 1019196597 /nfs/dbraw/zinc/19/65/97/1019196597.db2.gz IXBVJVGUEIVXEV-ZKCHVHJHSA-N -1 0 318.293 -0.400 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H](NC(=O)C3=CCCC3)[C@@H](O)C2)nc1 ZINC001608487420 1019196638 /nfs/dbraw/zinc/19/66/38/1019196638.db2.gz GWBIYZRBWIKJAY-NEPJUHHUSA-N -1 0 318.333 -0.049 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CC[C@@H](C2OCCO2)C1 ZINC001608492285 1019197037 /nfs/dbraw/zinc/19/70/37/1019197037.db2.gz WVSBZCMXCLTINY-BBBLOLIVSA-N -1 0 312.322 -0.813 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001608492577 1019197350 /nfs/dbraw/zinc/19/73/50/1019197350.db2.gz LLWNINOPGZHWEC-XWLWVQCSSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001608487306 1019197677 /nfs/dbraw/zinc/19/76/77/1019197677.db2.gz BHEGOYJEGOQRLW-IEECTRCBSA-N -1 0 324.377 -0.025 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)N1CCS(=O)(=O)CC1 ZINC001608531943 1019199617 /nfs/dbraw/zinc/19/96/17/1019199617.db2.gz OKLRXWWMIZKCDP-UWVGGRQHSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C1(n2cnnn2)CC1)Cc1ccncc1 ZINC001608534517 1019199778 /nfs/dbraw/zinc/19/97/78/1019199778.db2.gz DWNVRXYQWOBCDS-LLVKDONJSA-N -1 0 316.321 -0.383 20 0 DBADRM O=C([O-])[C@H](CF)NS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC001608535773 1019200841 /nfs/dbraw/zinc/20/08/41/1019200841.db2.gz ZKRLGLSTPWSBJC-VIFPVBQESA-N -1 0 315.286 -0.637 20 0 DBADRM O=C([O-])C(=O)CCCOC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001608528553 1019200939 /nfs/dbraw/zinc/20/09/39/1019200939.db2.gz IHJGPYNQYFRXAQ-VIFPVBQESA-N -1 0 311.294 -0.095 20 0 DBADRM O=C([O-])[C@@H](CF)NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC001608533338 1019201485 /nfs/dbraw/zinc/20/14/85/1019201485.db2.gz LDFZFEKZPBTZBE-ZCFIWIBFSA-N -1 0 322.245 -0.039 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C1(O)CCOCC1)Cc1ccncc1 ZINC001608535813 1019202068 /nfs/dbraw/zinc/20/20/68/1019202068.db2.gz OOBFAICAIYIYMB-LBPRGKRZSA-N -1 0 308.334 -0.017 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)c2cccn3c(=O)[nH]nc23)CC1 ZINC001608558897 1019203857 /nfs/dbraw/zinc/20/38/57/1019203857.db2.gz YAVOVOCRYOZPFJ-SNVBAGLBSA-N -1 0 320.305 -0.267 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC001608552638 1019204612 /nfs/dbraw/zinc/20/46/12/1019204612.db2.gz DKWFHOYLZMKROU-MFKMUULPSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)c2ccnc3n[nH]nc32)CC1 ZINC001608556633 1019205207 /nfs/dbraw/zinc/20/52/07/1019205207.db2.gz CQDUAVLFRIOPAA-SNVBAGLBSA-N -1 0 305.294 -0.349 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCN2CCOCC2)CCCC1 ZINC001608574077 1019206894 /nfs/dbraw/zinc/20/68/94/1019206894.db2.gz SLNTWSPMNYSZLU-UHFFFAOYSA-N -1 0 320.411 -0.117 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)CCOC2CCOCC2)CC1 ZINC001608570637 1019207088 /nfs/dbraw/zinc/20/70/88/1019207088.db2.gz KVZWRFZNFZAKNH-UHFFFAOYSA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])C12CC(C(=O)NCC34COCCN3CCOC4)(C1)C2 ZINC001608582156 1019207357 /nfs/dbraw/zinc/20/73/57/1019207357.db2.gz BIRPLYXLCKQNRC-UHFFFAOYSA-N -1 0 310.350 -0.541 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CC[C@@H](n3cncn3)C2)CCC1 ZINC001608579285 1019207455 /nfs/dbraw/zinc/20/74/55/1019207455.db2.gz IMBAQDKREHJOSM-SECBINFHSA-N -1 0 300.340 -0.138 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N(CCO)CCCO)CCCC1 ZINC001608570998 1019208753 /nfs/dbraw/zinc/20/87/53/1019208753.db2.gz RHBFFQFDOLKVQH-UHFFFAOYSA-N -1 0 309.384 -0.362 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC001608579852 1019209024 /nfs/dbraw/zinc/20/90/24/1019209024.db2.gz SPFBIGRETKNYIE-UHFFFAOYSA-N -1 0 324.314 -0.652 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)N2CCCOCC2)CCOCC1 ZINC001608577528 1019209261 /nfs/dbraw/zinc/20/92/61/1019209261.db2.gz FBSGGXPLLSKDQN-UHFFFAOYSA-N -1 0 308.356 -0.823 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)CCCC2CCOCC2)C1 ZINC001608579543 1019209911 /nfs/dbraw/zinc/20/99/11/1019209911.db2.gz LTKYWAUHKJMCON-UHFFFAOYSA-N -1 0 307.368 -0.346 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCOC[C@@H]2CCOC2)CC1 ZINC001608573261 1019210088 /nfs/dbraw/zinc/21/00/88/1019210088.db2.gz BOPNCFBXKFAZHG-SNVBAGLBSA-N -1 0 307.368 -0.176 20 0 DBADRM O=C([O-])C1=CC[C@H](n2nnnc2N2CCC3(C2)OCCO3)C1 ZINC001608590073 1019211074 /nfs/dbraw/zinc/21/10/74/1019211074.db2.gz AZRCUJNMCYWQGN-JTQLQIEISA-N -1 0 307.310 -0.028 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CC(OCC(F)F)C2)C1 ZINC001608585496 1019212345 /nfs/dbraw/zinc/21/23/45/1019212345.db2.gz BHQMAUZLFDWBFY-QMMMGPOBSA-N -1 0 318.276 -0.232 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)C3(CO)CCOCC3)C2)C1 ZINC001608591172 1019212521 /nfs/dbraw/zinc/21/25/21/1019212521.db2.gz KFEKGEJWXZOVNY-AWEZNQCLSA-N -1 0 312.322 -0.393 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1cncc(-n2ccnn2)c1 ZINC001608594396 1019212663 /nfs/dbraw/zinc/21/26/63/1019212663.db2.gz FWVGKHRBMDQMOI-RYUDHWBXSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)[C@H](O)c3ccccn3)C2)C1 ZINC001608590811 1019213528 /nfs/dbraw/zinc/21/35/28/1019213528.db2.gz GIHAKTQOCJPIAU-BXUZGUMPSA-N -1 0 305.290 -0.053 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)CCCCN1CCOCC1 ZINC001608598476 1019214784 /nfs/dbraw/zinc/21/47/84/1019214784.db2.gz XCJWAEZNDAQDOE-JSGCOSHPSA-N -1 0 314.382 -0.075 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)CNC(=O)C2CCCCC2)C1 ZINC001608602608 1019215317 /nfs/dbraw/zinc/21/53/17/1019215317.db2.gz RHCGKQWMORARLV-NEPJUHHUSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001608596859 1019215453 /nfs/dbraw/zinc/21/54/53/1019215453.db2.gz PXYICLPNKWNUCX-ZJUUUORDSA-N -1 0 318.293 -0.688 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1CC(=O)N1CCOC[C@H]1C1CC1 ZINC001608597829 1019215848 /nfs/dbraw/zinc/21/58/48/1019215848.db2.gz ZLOONQLRZRENMN-SCRDCRAPSA-N -1 0 312.366 -0.466 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2cccnc2OCCO)C1 ZINC001608602391 1019216086 /nfs/dbraw/zinc/21/60/86/1019216086.db2.gz SQHHLKRVYGOTFE-VHSXEESVSA-N -1 0 310.306 -0.640 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1ccc2c(n1)OCCO2 ZINC001608598509 1019216610 /nfs/dbraw/zinc/21/66/10/1019216610.db2.gz XIVLLUFXKDTRHX-MWLCHTKSSA-N -1 0 308.290 -0.097 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC001608605810 1019217913 /nfs/dbraw/zinc/21/79/13/1019217913.db2.gz REOLETRUCYSZJS-JCIQBVFBSA-N -1 0 314.338 -0.733 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN1Cc1cnc(N2CCOCC2)s1 ZINC001608608376 1019218678 /nfs/dbraw/zinc/21/86/78/1019218678.db2.gz YZXGPYJOGNFODS-GXSJLCMTSA-N -1 0 313.379 -0.001 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC001608605799 1019219185 /nfs/dbraw/zinc/21/91/85/1019219185.db2.gz REOLETRUCYSZJS-GCHJQGSQSA-N -1 0 314.338 -0.733 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC001608605811 1019219425 /nfs/dbraw/zinc/21/94/25/1019219425.db2.gz REOLETRUCYSZJS-OOCWMUITSA-N -1 0 314.338 -0.733 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(CC(=O)N2CCC2)CC1 ZINC001608609666 1019219801 /nfs/dbraw/zinc/21/98/01/1019219801.db2.gz CKLFFNYGYZFVBV-VXGBXAGGSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)c2cccnn2)CC1 ZINC001608609855 1019221678 /nfs/dbraw/zinc/22/16/78/1019221678.db2.gz DUJJGQMOKDPQLP-GHMZBOCLSA-N -1 0 318.333 -0.128 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)Cc2cnc[nH]2)C1 ZINC001608610961 1019221789 /nfs/dbraw/zinc/22/17/89/1019221789.db2.gz MASDVIFYQZXOKD-MNOVXSKESA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cnsn2)CC1 ZINC001608610060 1019222821 /nfs/dbraw/zinc/22/28/21/1019222821.db2.gz GEEJHJUYIYDXOZ-JGVFFNPUSA-N -1 0 310.335 -0.457 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)c3cocn3)C[C@@H]2C1 ZINC001608610644 1019223234 /nfs/dbraw/zinc/22/32/34/1019223234.db2.gz JQXOHWPQZUNRGK-VLEAKVRGSA-N -1 0 319.317 -0.074 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]n1 ZINC001608610094 1019223270 /nfs/dbraw/zinc/22/32/70/1019223270.db2.gz GTPKKMDHOGSBQL-ZRUFSTJUSA-N -1 0 318.333 -0.054 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)Cc2cccnc2)C1 ZINC001608610692 1019223357 /nfs/dbraw/zinc/22/33/57/1019223357.db2.gz KRTXYWJFRFYZLR-NWDGAFQWSA-N -1 0 303.318 -0.328 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001608612003 1019224078 /nfs/dbraw/zinc/22/40/78/1019224078.db2.gz XIEVXNSODNNDQU-AIGXORKKSA-N -1 0 322.361 -0.390 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cnsn3)C[C@H]21 ZINC001608611219 1019224196 /nfs/dbraw/zinc/22/41/96/1019224196.db2.gz QADJTEQGKLVPCX-OGBGREFGSA-N -1 0 308.363 -0.195 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC2(CN(C(=O)c3cn[nH]c3)C2)C1 ZINC001608611196 1019225763 /nfs/dbraw/zinc/22/57/63/1019225763.db2.gz NVABUFBJAWQYAQ-MNOVXSKESA-N -1 0 318.333 -0.195 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnon1 ZINC001608611306 1019225967 /nfs/dbraw/zinc/22/59/67/1019225967.db2.gz ONNIKRHBHSGHSV-UTINFBMNSA-N -1 0 320.305 -0.394 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CC1 ZINC001608611642 1019226368 /nfs/dbraw/zinc/22/63/68/1019226368.db2.gz UPPVANBXCAMQNJ-ZYUZMQFOSA-N -1 0 323.353 -0.252 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnon1 ZINC001608611302 1019226389 /nfs/dbraw/zinc/22/63/89/1019226389.db2.gz ONNIKRHBHSGHSV-QCLAVDOMSA-N -1 0 320.305 -0.394 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)Cc2cnoc2)CC1 ZINC001608611254 1019226640 /nfs/dbraw/zinc/22/66/40/1019226640.db2.gz OEYDWKUNBIUDJA-NEPJUHHUSA-N -1 0 321.333 -0.001 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001608612106 1019227945 /nfs/dbraw/zinc/22/79/45/1019227945.db2.gz STOYCEQXSQWSSQ-RKDXNWHRSA-N -1 0 319.321 -0.800 20 0 DBADRM O=C([O-])C1CC2(C1)C[C@@H](NC(=O)C1CS(=O)(=O)C1)CCO2 ZINC001608613712 1019228844 /nfs/dbraw/zinc/22/88/44/1019228844.db2.gz SUXQGUHTIMCTPO-SLYADPJGSA-N -1 0 317.363 -0.440 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001608612420 1019229320 /nfs/dbraw/zinc/22/93/20/1019229320.db2.gz VSOVUICAMQCSRN-DTWKUNHWSA-N -1 0 320.305 -0.909 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)CCn2cccn2)C1 ZINC001608612251 1019229380 /nfs/dbraw/zinc/22/93/80/1019229380.db2.gz UGABAWGZLPNMDM-VXGBXAGGSA-N -1 0 320.349 -0.432 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)NCCn1ncnn1 ZINC001608626161 1019231330 /nfs/dbraw/zinc/23/13/30/1019231330.db2.gz GNPIFCJVSAMEOW-IUCAKERBSA-N -1 0 303.344 -0.764 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2C[C@H](O)CC(F)(F)C2)C1=O ZINC001608628591 1019231405 /nfs/dbraw/zinc/23/14/05/1019231405.db2.gz GKQBNAMNYBYEDF-BDAKNGLRSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H](CO)CN2CCOCC2)C1 ZINC001608621715 1019232316 /nfs/dbraw/zinc/23/23/16/1019232316.db2.gz WPOPVHRBVQSLJF-XQQFMLRXSA-N -1 0 314.382 -0.313 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)NCC1(CO)COC1 ZINC001608625964 1019232540 /nfs/dbraw/zinc/23/25/40/1019232540.db2.gz DAIQLOJZAFNHSD-UWVGGRQHSA-N -1 0 307.368 -0.442 20 0 DBADRM O=C([O-])C1CCN(C(=O)Cn2ccc(=O)n3nccc32)CC1 ZINC001608632217 1019232785 /nfs/dbraw/zinc/23/27/85/1019232785.db2.gz OOKCSHRNYCRHCQ-UHFFFAOYSA-N -1 0 304.306 -0.181 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCC2CC3(C2)OCCO3)CCO1 ZINC001608643394 1019234154 /nfs/dbraw/zinc/23/41/54/1019234154.db2.gz RXQVNRBKUARHGO-JTQLQIEISA-N -1 0 300.311 -0.366 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2cnc3n2CCOC3)CCO1 ZINC001608643380 1019234371 /nfs/dbraw/zinc/23/43/71/1019234371.db2.gz PYWJWTFLPXDMLV-JTQLQIEISA-N -1 0 310.310 -0.592 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CC(c2ccccn2)=NO1 ZINC001608646678 1019234457 /nfs/dbraw/zinc/23/44/57/1019234457.db2.gz SOXSDTOFGKJZEZ-RYUDHWBXSA-N -1 0 305.290 -0.113 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2C[C@H]2CC[C@@H](C3CC3)O2)CCO1 ZINC001608646110 1019234627 /nfs/dbraw/zinc/23/46/27/1019234627.db2.gz IDXLFGNKVZXQGY-WOPDTQHZSA-N -1 0 323.353 -0.080 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001608647784 1019235492 /nfs/dbraw/zinc/23/54/92/1019235492.db2.gz YVEFHKFRBIKWLP-KYXWUPHJSA-N -1 0 303.336 -0.736 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCOCC1CC1 ZINC001608647725 1019235514 /nfs/dbraw/zinc/23/55/14/1019235514.db2.gz SVORQODPJCVRDT-SNVBAGLBSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)C1CC1 ZINC001608666444 1019238103 /nfs/dbraw/zinc/23/81/03/1019238103.db2.gz JAQVERNYQODJHC-UWVGGRQHSA-N -1 0 324.337 -0.567 20 0 DBADRM O=C([O-])/C=C/c1ccc(C(=O)N2CC3(C2)C[C@H](O)CNC3=O)o1 ZINC001608656871 1019238456 /nfs/dbraw/zinc/23/84/56/1019238456.db2.gz CTHIKGJHQZOCOV-LXOKAJLYSA-N -1 0 320.301 -0.300 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)c1cnn(C[C@@H](O)CO)c1)C1CC1 ZINC001608667424 1019238512 /nfs/dbraw/zinc/23/85/12/1019238512.db2.gz FWFNMNXLJJPZMV-CMPLNLGQSA-N -1 0 311.338 -0.533 20 0 DBADRM O=C([O-])C[C@H](NC(=O)CN1CCNCC1=O)c1cccs1 ZINC001608670496 1019238646 /nfs/dbraw/zinc/23/86/46/1019238646.db2.gz GZNSFCPKJPHJQW-VIFPVBQESA-N -1 0 311.363 -0.188 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC001608674492 1019238742 /nfs/dbraw/zinc/23/87/42/1019238742.db2.gz VYLXINDQCQRQRZ-LLVKDONJSA-N -1 0 322.317 -0.098 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC001608675549 1019240180 /nfs/dbraw/zinc/24/01/80/1019240180.db2.gz HXRVSTBPNONLAB-NSHDSACASA-N -1 0 321.333 -0.149 20 0 DBADRM O=C([O-])CC1(CNC(=O)[C@@H]2CCCS2(=O)=O)CCOCC1 ZINC001608677759 1019240292 /nfs/dbraw/zinc/24/02/92/1019240292.db2.gz IJMBIUFDOOMXLW-JTQLQIEISA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC001608675744 1019240663 /nfs/dbraw/zinc/24/06/63/1019240663.db2.gz KCAWSQSVZXQLFE-NSHDSACASA-N -1 0 305.294 -0.843 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NC[C@H](CO)[C@H]2CCOC2)CC1 ZINC001608681346 1019241139 /nfs/dbraw/zinc/24/11/39/1019241139.db2.gz PIEWFLDRWRDTJE-WDEREUQCSA-N -1 0 321.395 -0.194 20 0 DBADRM O=C([O-])CC1CC(NC(=O)N2C[C@@H](CO)[C@H](CCO)C2)C1 ZINC001608691812 1019242120 /nfs/dbraw/zinc/24/21/20/1019242120.db2.gz WEKXYBSHANETJN-UPOSSJBDSA-N -1 0 300.355 -0.128 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cnc2cc[nH]c2c1 ZINC001608689772 1019242160 /nfs/dbraw/zinc/24/21/60/1019242160.db2.gz MMPFYDLPECFMKB-NSHDSACASA-N -1 0 302.290 -0.022 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cnc2n[nH]cc2c1 ZINC001608689322 1019242450 /nfs/dbraw/zinc/24/24/50/1019242450.db2.gz BISOCVRHLQCBGD-SECBINFHSA-N -1 0 303.278 -0.627 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cc2n(n1)CCC[C@@H]2O ZINC001608689910 1019242768 /nfs/dbraw/zinc/24/27/68/1019242768.db2.gz RQQAPNIMXRSKPH-MNOVXSKESA-N -1 0 322.321 -0.874 20 0 DBADRM O=C([O-])CC1CC(NC(=O)N2C[C@H](CO)[C@@H](CCO)C2)C1 ZINC001608691811 1019242881 /nfs/dbraw/zinc/24/28/81/1019242881.db2.gz WEKXYBSHANETJN-LVFLEHKBSA-N -1 0 300.355 -0.128 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)C1 ZINC001608690374 1019244056 /nfs/dbraw/zinc/24/40/56/1019244056.db2.gz KBMYVIDEIQWVTE-HACHORDNSA-N -1 0 320.292 -0.416 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC001608699320 1019245319 /nfs/dbraw/zinc/24/53/19/1019245319.db2.gz JPHHFOLAUIPXAI-GHMZBOCLSA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NCc2cnc3n2CCOC3)CCO1 ZINC001608699961 1019245591 /nfs/dbraw/zinc/24/55/91/1019245591.db2.gz QWILQLRRMYMRIM-NSHDSACASA-N -1 0 324.337 -0.202 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cn2)CCO1 ZINC001608698853 1019245788 /nfs/dbraw/zinc/24/57/88/1019245788.db2.gz PWVRSHULXGRQPF-VIFPVBQESA-N -1 0 311.269 -0.139 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N2CC(NC3COC3)C2)c1 ZINC001574731497 1019246272 /nfs/dbraw/zinc/24/62/72/1019246272.db2.gz BPXPAWLLZDDNIF-UHFFFAOYSA-N -1 0 306.318 -0.037 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001608695185 1019246250 /nfs/dbraw/zinc/24/62/50/1019246250.db2.gz OUMWAUCTUJQKCE-GHMZBOCLSA-N -1 0 320.349 -0.151 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)CCO1 ZINC001608700282 1019246490 /nfs/dbraw/zinc/24/64/90/1019246490.db2.gz DUBKGSWVIFZNMW-NSHDSACASA-N -1 0 317.305 -0.022 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)CCO1 ZINC001608700751 1019246523 /nfs/dbraw/zinc/24/65/23/1019246523.db2.gz QBNFTKJYIGADPN-SECBINFHSA-N -1 0 321.289 -0.272 20 0 DBADRM O=C([O-])CC1CC(NC(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001608692407 1019246578 /nfs/dbraw/zinc/24/65/78/1019246578.db2.gz FDENFUSEDNMGDK-UHFFFAOYSA-N -1 0 304.253 -0.197 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)CC1(O)CCC1 ZINC001608702476 1019247203 /nfs/dbraw/zinc/24/72/03/1019247203.db2.gz NXSLUOUYCIDRKV-VIFPVBQESA-N -1 0 305.352 -0.608 20 0 DBADRM O=C([O-])CC[C@H]1CCCN(C(=O)C(=O)N2CC=C[C@H]2CO)C1 ZINC001608707121 1019247216 /nfs/dbraw/zinc/24/72/16/1019247216.db2.gz LBHVWMAPRYOFJC-NEPJUHHUSA-N -1 0 310.350 -0.151 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)CNC(=O)c1ccncc1 ZINC001608701280 1019247226 /nfs/dbraw/zinc/24/72/26/1019247226.db2.gz VQGGDRMZVJJCSB-NSHDSACASA-N -1 0 307.306 -0.487 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC001608712643 1019247337 /nfs/dbraw/zinc/24/73/37/1019247337.db2.gz GMSCUQVZQLIZMM-CQSZACIVSA-N -1 0 314.338 -0.625 20 0 DBADRM O=C([O-])CCCCCNC(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001608711662 1019247389 /nfs/dbraw/zinc/24/73/89/1019247389.db2.gz IBBGHDHGKAKZIJ-UHFFFAOYSA-N -1 0 322.325 -0.138 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001608701418 1019247537 /nfs/dbraw/zinc/24/75/37/1019247537.db2.gz AZXRIZZSROTLDU-ZJUUUORDSA-N -1 0 322.321 -0.535 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)c2ccc(CO)nc2)C1=O ZINC001574723572 1019248078 /nfs/dbraw/zinc/24/80/78/1019248078.db2.gz JBAGTEUONFGPEA-GFCCVEGCSA-N -1 0 321.333 -0.231 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC001608717975 1019249811 /nfs/dbraw/zinc/24/98/11/1019249811.db2.gz MLYRNOCBRQDHCF-KOLCDFICSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])CCCc1nc(CN2CC[C@H]3OCC(=O)N[C@@H]3C2)no1 ZINC001608719437 1019249946 /nfs/dbraw/zinc/24/99/46/1019249946.db2.gz SPGXQRQNXCFNGV-NXEZZACHSA-N -1 0 324.337 -0.434 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC001608718518 1019250268 /nfs/dbraw/zinc/25/02/68/1019250268.db2.gz ZJAUWWBNWWQTSX-SECBINFHSA-N -1 0 313.397 -0.405 20 0 DBADRM O=C([O-])CCCNC(=O)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001608714575 1019250737 /nfs/dbraw/zinc/25/07/37/1019250737.db2.gz NISBIWQBKDFJPN-UWVGGRQHSA-N -1 0 304.368 -0.073 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)NCCn1cnccc1=O ZINC001608712893 1019250834 /nfs/dbraw/zinc/25/08/34/1019250834.db2.gz XRYUWFHUOATPQI-UHFFFAOYSA-N -1 0 317.367 -0.192 20 0 DBADRM O=C([O-])CCCc1nnc(NC(=O)C2CS(=O)(=O)C2)s1 ZINC001608719756 1019250876 /nfs/dbraw/zinc/25/08/76/1019250876.db2.gz QHYFKJPKAMWOET-UHFFFAOYSA-N -1 0 319.364 -0.072 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](N2CCN3C(=O)OC[C@H]3C2)C1=O ZINC001608725002 1019252747 /nfs/dbraw/zinc/25/27/47/1019252747.db2.gz BXMUZTYFSWCGKD-GHMZBOCLSA-N -1 0 311.338 -0.412 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)C(=O)c1ccc(O)cc1 ZINC001608727333 1019253697 /nfs/dbraw/zinc/25/36/97/1019253697.db2.gz MOKFIXFDFMOXAO-UHFFFAOYSA-N -1 0 308.290 -0.328 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CC[C@H](NC(=O)NC3CC3)C2)C1=O ZINC001608723574 1019253835 /nfs/dbraw/zinc/25/38/35/1019253835.db2.gz UDYKSJUXAHTHLM-NWDGAFQWSA-N -1 0 324.381 -0.402 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)Cn1cc(C2CC2)nn1 ZINC001608727261 1019254701 /nfs/dbraw/zinc/25/47/01/1019254701.db2.gz JYLVFFDHZVRCTK-UHFFFAOYSA-N -1 0 309.326 -0.747 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)c2cc3n(n2)CCO3)C1=O ZINC001608723915 1019254787 /nfs/dbraw/zinc/25/47/87/1019254787.db2.gz BRJFTSCZVHNJHY-VIFPVBQESA-N -1 0 309.278 -0.492 20 0 DBADRM O=C([O-])CCNC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC001608729884 1019256893 /nfs/dbraw/zinc/25/68/93/1019256893.db2.gz ACKCWCQPRUFIRE-MRVPVSSYSA-N -1 0 316.339 -0.161 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)CO)CC2)O1 ZINC001608736003 1019258112 /nfs/dbraw/zinc/25/81/12/1019258112.db2.gz KSHIZKOPGWOBDY-WDEREUQCSA-N -1 0 314.338 -0.938 20 0 DBADRM O=C([O-])CN1CCN(C(=O)C[C@@H]2CCCS2(=O)=O)CC1 ZINC001608748919 1019259839 /nfs/dbraw/zinc/25/98/39/1019259839.db2.gz BGVOUTDLVWUIPC-JTQLQIEISA-N -1 0 304.368 -0.818 20 0 DBADRM O=C([O-])CN(C(=O)c1nc2ncc(CCO)cn2n1)C1CC1 ZINC001608744091 1019259986 /nfs/dbraw/zinc/25/99/86/1019259986.db2.gz ZDXXRYMQRUUKDO-UHFFFAOYSA-N -1 0 305.294 -0.652 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1coc(CO)c1 ZINC001608745710 1019259993 /nfs/dbraw/zinc/25/99/93/1019259993.db2.gz ICMPOMIAOKNIOJ-UHFFFAOYSA-N -1 0 312.322 -0.369 20 0 DBADRM O=C([O-])CCc1nnn(CC(=O)N2CCOC[C@@H]2C2CC2)n1 ZINC001608742642 1019260004 /nfs/dbraw/zinc/26/00/04/1019260004.db2.gz VBKIMVQYBSIMRX-SNVBAGLBSA-N -1 0 309.326 -0.672 20 0 DBADRM C[C@@H](CNC(=O)C(C)(C)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001503758105 1019260444 /nfs/dbraw/zinc/26/04/44/1019260444.db2.gz XRAJTYJYRCNMAJ-LURJTMIESA-N -1 0 303.294 -0.942 20 0 DBADRM O=C([O-])CN1CCN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)CC1 ZINC001608748528 1019260883 /nfs/dbraw/zinc/26/08/83/1019260883.db2.gz FDNYFQTXJRAERC-ZDUSSCGKSA-N -1 0 318.333 -0.197 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)C(=O)NCCCc1ccccc1 ZINC001608752014 1019262760 /nfs/dbraw/zinc/26/27/60/1019262760.db2.gz HEHRICCQXZCONS-UHFFFAOYSA-N -1 0 321.333 -0.948 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC001608752374 1019263104 /nfs/dbraw/zinc/26/31/04/1019263104.db2.gz PANLDZRDUJLXPG-NXEZZACHSA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001608750530 1019263127 /nfs/dbraw/zinc/26/31/27/1019263127.db2.gz LVVUJTSLCRMNBD-KKZNHRDASA-N -1 0 306.322 -0.295 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CCc2cncn2C1 ZINC001608750459 1019263229 /nfs/dbraw/zinc/26/32/29/1019263229.db2.gz JRLZXQCVEHIXJH-CMPLNLGQSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@H](O)c1ccc(Cl)cc1F ZINC001608752232 1019263628 /nfs/dbraw/zinc/26/36/28/1019263628.db2.gz PYGULTZHUOZCHI-LLVKDONJSA-N -1 0 318.688 -0.171 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)C[C@H](n1cccn1)C(F)(F)F ZINC001608752287 1019263975 /nfs/dbraw/zinc/26/39/75/1019263975.db2.gz WHBXQKBBIRBQOA-ZETCQYMHSA-N -1 0 322.243 -0.306 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)C1SCCS1 ZINC001608751299 1019264078 /nfs/dbraw/zinc/26/40/78/1019264078.db2.gz XLBGSJAIYCWYEU-ZETCQYMHSA-N -1 0 304.393 -0.016 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(CO)cc1 ZINC001608750510 1019264286 /nfs/dbraw/zinc/26/42/86/1019264286.db2.gz LHZLRWADRNXAHQ-LBPRGKRZSA-N -1 0 306.318 -0.016 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1ccnc2n[nH]nc21 ZINC001608751202 1019264305 /nfs/dbraw/zinc/26/43/05/1019264305.db2.gz OGOKPAOPHXXCER-QMMMGPOBSA-N -1 0 318.293 -0.842 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCc2nncn2C1 ZINC001608750888 1019264367 /nfs/dbraw/zinc/26/43/67/1019264367.db2.gz QQFOCTWIRPGDPO-ZJUUUORDSA-N -1 0 321.337 -0.968 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)C[C@@H]1CCC(=O)NC1 ZINC001608750514 1019265378 /nfs/dbraw/zinc/26/53/78/1019265378.db2.gz LJXHYUXRNKGCNG-UWVGGRQHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])COCCNC(=O)NC[C@@H](CO)Cc1ccco1 ZINC001608757519 1019267536 /nfs/dbraw/zinc/26/75/36/1019267536.db2.gz IKXWULBWJCUTAM-JTQLQIEISA-N -1 0 300.311 -0.169 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cnc(-c2ccccn2)nc1 ZINC001608752915 1019268864 /nfs/dbraw/zinc/26/88/64/1019268864.db2.gz WBRQNMSAJBQAFB-UHFFFAOYSA-N -1 0 315.289 -0.531 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC001608753315 1019268916 /nfs/dbraw/zinc/26/89/16/1019268916.db2.gz XPOHLYWOZOGBBQ-UHFFFAOYSA-N -1 0 303.278 -0.598 20 0 DBADRM O=C([O-])COc1ccc(C(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC001608758299 1019271127 /nfs/dbraw/zinc/27/11/27/1019271127.db2.gz HKGLVKVHLVKSRV-LLVKDONJSA-N -1 0 320.305 -0.468 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC001608758095 1019271187 /nfs/dbraw/zinc/27/11/87/1019271187.db2.gz KUNISWIFLACYQL-YPMHNXCESA-N -1 0 309.318 -0.035 20 0 DBADRM O=C([O-])CSCCNC(=O)CCN1C(=O)CCNC1=S ZINC001608767330 1019272435 /nfs/dbraw/zinc/27/24/35/1019272435.db2.gz ARWHYSCZLNCBOL-UHFFFAOYSA-N -1 0 319.408 -0.583 20 0 DBADRM O=C([O-])COCCNC(=O)NCc1ccc(-n2cncn2)nc1 ZINC001608757595 1019272656 /nfs/dbraw/zinc/27/26/56/1019272656.db2.gz NXCFXKOIBREYNB-UHFFFAOYSA-N -1 0 320.309 -0.437 20 0 DBADRM O=C([O-])Cn1cc(CN2C(=O)c3ccccc3S2(=O)=O)nn1 ZINC001608796917 1019275314 /nfs/dbraw/zinc/27/53/14/1019275314.db2.gz BKEURAOYMUCTQA-UHFFFAOYSA-N -1 0 322.302 -0.293 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)c2cn3c(n2)COCC3)nn1 ZINC001608796822 1019275420 /nfs/dbraw/zinc/27/54/20/1019275420.db2.gz UWRPPEGDNCTZFP-UHFFFAOYSA-N -1 0 321.293 -0.511 20 0 DBADRM O=C([O-])Cn1cc(CN2CCS(=O)(=O)C[C@H]2C2CC2)nn1 ZINC001608797351 1019276020 /nfs/dbraw/zinc/27/60/20/1019276020.db2.gz CBHJEDGIDJSIJY-NSHDSACASA-N -1 0 314.367 -0.628 20 0 DBADRM O=C([O-])Cn1cc(CNCC[S@@](=O)CC(F)(F)F)nn1 ZINC001608797666 1019276040 /nfs/dbraw/zinc/27/60/40/1019276040.db2.gz RXBFLRLGCPIGSB-HXUWFJFHSA-N -1 0 314.289 -0.237 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)O1 ZINC001608804284 1019277801 /nfs/dbraw/zinc/27/78/01/1019277801.db2.gz BWEYLLITIRJEPI-YIZRAAEISA-N -1 0 310.310 -0.095 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(CC(F)(F)CO)CC2)O1 ZINC001608803821 1019277972 /nfs/dbraw/zinc/27/79/72/1019277972.db2.gz FKWXJWRAHBXTLW-ZJUUUORDSA-N -1 0 322.308 -0.610 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC[C@]23CCOC3)C[C@H]1C1CC1 ZINC001608805747 1019278899 /nfs/dbraw/zinc/27/88/99/1019278899.db2.gz HRJYIGPSXSTTFF-HWWQOWPSSA-N -1 0 322.361 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2CCS(=O)(=O)CC2)O1 ZINC001608804140 1019280277 /nfs/dbraw/zinc/28/02/77/1019280277.db2.gz FNGZBRJNUFRDIX-ZJUUUORDSA-N -1 0 305.352 -0.440 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NS(=O)(=O)N2CCCOCC2)[C@H]2C[C@H]21 ZINC001608812884 1019282014 /nfs/dbraw/zinc/28/20/14/1019282014.db2.gz FYOICRYWZYZJOX-YTWAJWBKSA-N -1 0 304.368 -0.348 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N(Cc2cnn(CCF)c2)C1=O ZINC001608814282 1019282760 /nfs/dbraw/zinc/28/27/60/1019282760.db2.gz UCPZUBFDSYHGQY-OPRDCNLKSA-N -1 0 310.285 -0.006 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CS[C@H]3CCS(=O)(=O)C3)C[C@@H]21 ZINC001608815961 1019282864 /nfs/dbraw/zinc/28/28/64/1019282864.db2.gz KWLTVZWXSQQIJY-WYOJIJJFSA-N -1 0 319.404 -0.304 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC001608812577 1019283070 /nfs/dbraw/zinc/28/30/70/1019283070.db2.gz FJGDDBVQCXAXLP-BQBZGAKWSA-N -1 0 324.272 -0.189 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@@H](CO)C[C@H]2CCCO2)C1 ZINC001608824468 1019285034 /nfs/dbraw/zinc/28/50/34/1019285034.db2.gz WSMCAFYQJWFKGF-DBIOUOCHSA-N -1 0 307.368 -0.301 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC[C@@H](CO)[C@@H]2CCOC2)C1 ZINC001608824273 1019285242 /nfs/dbraw/zinc/28/52/42/1019285242.db2.gz ONBAQLIXOAZYAF-ZNSHCXBVSA-N -1 0 307.368 -0.586 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2C[C@@H](CO)[C@H](CCO)C2)C1 ZINC001608823586 1019285287 /nfs/dbraw/zinc/28/52/87/1019285287.db2.gz BUFGXUICGSTVSV-ZNSHCXBVSA-N -1 0 307.368 -0.898 20 0 DBADRM O=C([O-])c1c(NC(=O)[C@@]2(F)CCOC2)[nH]nc1OCCO ZINC001608830537 1019285612 /nfs/dbraw/zinc/28/56/12/1019285612.db2.gz RTHALVFXEBQQKB-LLVKDONJSA-N -1 0 303.246 -0.454 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@H](CO)C[C@@H]2CCCO2)C1 ZINC001608824470 1019285943 /nfs/dbraw/zinc/28/59/43/1019285943.db2.gz WSMCAFYQJWFKGF-XWLWVQCSSA-N -1 0 307.368 -0.301 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCOC[C@]23CCOC3)C1 ZINC001608824116 1019286322 /nfs/dbraw/zinc/28/63/22/1019286322.db2.gz JILPWFKLEIDTSG-JFGNBEQYSA-N -1 0 305.352 -0.329 20 0 DBADRM O=C([O-])c1c(OCCO)n[nH]c1NC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC001608830758 1019286532 /nfs/dbraw/zinc/28/65/32/1019286532.db2.gz ZMSSESNRTLUWOX-APQOSEDMSA-N -1 0 309.278 -0.357 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1cnn(-c2ccncc2)c1 ZINC001608823651 1019286637 /nfs/dbraw/zinc/28/66/37/1019286637.db2.gz GYIODQBQQZKHQL-VXGBXAGGSA-N -1 0 302.290 -0.073 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(c3nnnn3C[C@H]3C[C@@H]4COC[C@@H]4O3)C[C@@H]21 ZINC001608817221 1019287142 /nfs/dbraw/zinc/28/71/42/1019287142.db2.gz GPTSFBUVMVVKAS-UCFKJQRDSA-N -1 0 321.337 -0.756 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC2(c3nc[nH]n3)CCC2)C1 ZINC001608824296 1019287269 /nfs/dbraw/zinc/28/72/69/1019287269.db2.gz PFQVBFKLRGATQW-OCAPTIKFSA-N -1 0 300.340 -0.034 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H](CO)[C@H]2CCCOC2)n[nH]1 ZINC001608859853 1019288340 /nfs/dbraw/zinc/28/83/40/1019288340.db2.gz KYMXQDYASZFCIR-CBAPKCEASA-N -1 0 319.339 -0.826 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)n[nH]1 ZINC001608858426 1019288890 /nfs/dbraw/zinc/28/88/90/1019288890.db2.gz LGUSLBANUJEOGI-UHFFFAOYSA-N -1 0 317.323 -0.365 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)on1 ZINC001608835461 1019289449 /nfs/dbraw/zinc/28/94/49/1019289449.db2.gz JIUSGMSLMCLVGU-WPRPVWTQSA-N -1 0 309.278 -0.508 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC2CN(c3ccncn3)C2)c[nH]1 ZINC001608860507 1019289513 /nfs/dbraw/zinc/28/95/13/1019289513.db2.gz OLXXOIBJVNIYJV-UHFFFAOYSA-N -1 0 323.334 -0.330 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCS(=O)(=O)CCO2)c[nH]1 ZINC001608859003 1019290696 /nfs/dbraw/zinc/29/06/96/1019290696.db2.gz WCSZOUSTYLFWPK-UHFFFAOYSA-N -1 0 324.336 -0.936 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)n[nH]1 ZINC001608861675 1019291147 /nfs/dbraw/zinc/29/11/47/1019291147.db2.gz JNGMBMHZGFIHRF-BHNWBGBOSA-N -1 0 317.323 -0.810 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCCO[C@@H]2CCOC2)n[nH]1 ZINC001608861690 1019291754 /nfs/dbraw/zinc/29/17/54/1019291754.db2.gz KPKAIOTVHIMFCT-MRVPVSSYSA-N -1 0 319.339 -0.418 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCOC(=O)C2CC2)n[nH]1 ZINC001608861865 1019291820 /nfs/dbraw/zinc/29/18/20/1019291820.db2.gz UXTXIQNTLVZURC-UHFFFAOYSA-N -1 0 303.296 -0.661 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)C2=C3CCCN=C3NN2)cn1 ZINC001608884924 1019292265 /nfs/dbraw/zinc/29/22/65/1019292265.db2.gz CMVPUWMZQADGGJ-UHFFFAOYSA-N -1 0 301.306 -0.050 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CC[C@H](CN3CCCC3=O)C2)n1 ZINC001608870409 1019292815 /nfs/dbraw/zinc/29/28/15/1019292815.db2.gz BMPFWLPJVSARMO-NSHDSACASA-N -1 0 320.349 -0.157 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC(N3CC[C@@H](O)C3)C2)o1 ZINC001608908958 1019292922 /nfs/dbraw/zinc/29/29/22/1019292922.db2.gz HCYWSVIRBNDXGR-SECBINFHSA-N -1 0 316.335 -0.583 20 0 DBADRM O=C([O-])c1ccc(OC[C@H](O)Cn2nnn(C3CC3)c2=O)cc1 ZINC001608906268 1019293012 /nfs/dbraw/zinc/29/30/12/1019293012.db2.gz JEJABSMPVRVWHM-LLVKDONJSA-N -1 0 320.305 -0.087 20 0 DBADRM O=C([O-])c1ccc(=O)n(Cc2nnnn2CC2CCOCC2)n1 ZINC001608870783 1019293189 /nfs/dbraw/zinc/29/31/89/1019293189.db2.gz OGRHCXDASSNULB-UHFFFAOYSA-N -1 0 320.309 -0.597 20 0 DBADRM O=C([O-])c1ccc(OC[C@@H](O)CN2CCN(CCO)CC2)cc1 ZINC001608907131 1019294001 /nfs/dbraw/zinc/29/40/01/1019294001.db2.gz XHRFTJRJCAQHOK-AWEZNQCLSA-N -1 0 324.377 -0.266 20 0 DBADRM O=C([O-])c1ccc(CN2CCN3[C@H](CNS3(=O)=O)C2)o1 ZINC001608882639 1019294154 /nfs/dbraw/zinc/29/41/54/1019294154.db2.gz HTXBGSXTAJFPPP-MRVPVSSYSA-N -1 0 301.324 -0.688 20 0 DBADRM O=C([O-])c1ccc(C(=O)N(CCO)CCOCCO)cc1F ZINC001608871851 1019294180 /nfs/dbraw/zinc/29/41/80/1019294180.db2.gz VQFRBEPSBKAPOY-UHFFFAOYSA-N -1 0 315.297 -0.033 20 0 DBADRM O=C([O-])c1ccnc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c1 ZINC001608951823 1019295924 /nfs/dbraw/zinc/29/59/24/1019295924.db2.gz OOKQJGBUNLKGFC-LBPRGKRZSA-N -1 0 314.319 -0.941 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1=O ZINC001608949771 1019295941 /nfs/dbraw/zinc/29/59/41/1019295941.db2.gz JMJUUJAXXOPKQS-UFGOTCBOSA-N -1 0 306.318 -0.082 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCn2cnccc2=O)cc1 ZINC001608912919 1019295957 /nfs/dbraw/zinc/29/59/57/1019295957.db2.gz RYBSRKFRMOAUON-UHFFFAOYSA-N -1 0 323.330 -0.080 20 0 DBADRM O=C([O-])c1cccc(C(=O)NCc2nnc3n2CCNC3=O)c1 ZINC001608929228 1019296378 /nfs/dbraw/zinc/29/63/78/1019296378.db2.gz LATXRHIIKMFHQY-UHFFFAOYSA-N -1 0 315.289 -0.350 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCCC3(C2)OCCO3)c1=O ZINC001608949610 1019297193 /nfs/dbraw/zinc/29/71/93/1019297193.db2.gz BPJTURIJMVTNTH-UHFFFAOYSA-N -1 0 322.317 -0.088 20 0 DBADRM O=C([O-])CNC(=O)c1c(Br)nc2n1CCOC2 ZINC001574896134 1019297885 /nfs/dbraw/zinc/29/78/85/1019297885.db2.gz AOFOKPISAYDIKO-UHFFFAOYSA-N -1 0 304.100 -0.010 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCOC[C@H]2C[C@H]2CCCO2)nn1 ZINC001608963279 1019297850 /nfs/dbraw/zinc/29/78/50/1019297850.db2.gz HIMNPZXFGQBBAK-GHMZBOCLSA-N -1 0 324.337 -0.227 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)[C@H](O)c3cccnc3)C2)nn1 ZINC001608959209 1019297873 /nfs/dbraw/zinc/29/78/73/1019297873.db2.gz ORVQAQZPMWASBX-CMPLNLGQSA-N -1 0 317.305 -0.122 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(S(=O)(=O)[C@H]3CCOC3)C2)nn1 ZINC001608962449 1019298467 /nfs/dbraw/zinc/29/84/67/1019298467.db2.gz TWKQXZNYZGZRJX-BDAKNGLRSA-N -1 0 316.339 -0.658 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)COCc3cccnc3)C2)nn1 ZINC001608962576 1019298592 /nfs/dbraw/zinc/29/85/92/1019298592.db2.gz WACNQYMRDGKJFM-UHFFFAOYSA-N -1 0 317.305 -0.029 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)[C@H](O)c3cccnc3)C2)nn1 ZINC001608959212 1019300316 /nfs/dbraw/zinc/30/03/16/1019300316.db2.gz ORVQAQZPMWASBX-ZYHUDNBSSA-N -1 0 317.305 -0.122 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCC3(C2)OCCO3)nn1 ZINC001608964110 1019301051 /nfs/dbraw/zinc/30/10/51/1019301051.db2.gz XGPYITWWMCNUNO-UHFFFAOYSA-N -1 0 311.298 -0.865 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCO[C@@H]1CCCCO1 ZINC001608965280 1019301175 /nfs/dbraw/zinc/30/11/75/1019301175.db2.gz IHOHFKPESCQOST-SECBINFHSA-N -1 0 319.339 -0.071 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)[C@@]3(F)CCOC3)C2)nc1 ZINC001608974486 1019302105 /nfs/dbraw/zinc/30/21/05/1019302105.db2.gz WHNMBNZSXAPNOV-IINYFYTJSA-N -1 0 324.312 -0.002 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@H](O)[C@H](F)C2)nn1 ZINC001608963640 1019302372 /nfs/dbraw/zinc/30/23/72/1019302372.db2.gz CPTZIJJESSSJRO-APPZFPTMSA-N -1 0 301.278 -0.909 20 0 DBADRM O=C([O-])c1cnc(N(CCNC(=O)c2nnc[nH]2)C2CC2)nc1 ZINC001608973873 1019302499 /nfs/dbraw/zinc/30/24/99/1019302499.db2.gz ODDIFRPJVYTXNT-UHFFFAOYSA-N -1 0 317.309 -0.308 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC001608965493 1019302599 /nfs/dbraw/zinc/30/25/99/1019302599.db2.gz VBUUQJXTUGMANC-ZCFIWIBFSA-N -1 0 324.309 -0.274 20 0 DBADRM O=C([O-])c1cnc(N2CCC(NC(=O)c3cn[nH]n3)CC2)nc1 ZINC001608974186 1019302861 /nfs/dbraw/zinc/30/28/61/1019302861.db2.gz HCJFTSXIOJGWBC-UHFFFAOYSA-N -1 0 317.309 -0.308 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC(Cn3ccnn3)CC2)nn1 ZINC001608963452 1019303201 /nfs/dbraw/zinc/30/32/01/1019303201.db2.gz PUYPVRCXGCGEQW-UHFFFAOYSA-N -1 0 319.325 -0.493 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H]3CCNC(=O)[C@H]32)nn1 ZINC001608963535 1019303312 /nfs/dbraw/zinc/30/33/12/1019303312.db2.gz VJQCRAFQELMTEE-KWQFWETISA-N -1 0 307.310 -0.897 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCN(C(=O)C3CC3)C2)nn1 ZINC001608963971 1019303718 /nfs/dbraw/zinc/30/37/18/1019303718.db2.gz QUMDGRYEOYJKGI-UHFFFAOYSA-N -1 0 322.325 -0.802 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCO[C@@H]1CCOC1 ZINC001608965324 1019303817 /nfs/dbraw/zinc/30/38/17/1019303817.db2.gz KZJOWPCGTOTIMO-SSDOTTSWSA-N -1 0 305.312 -0.808 20 0 DBADRM O=C([O-])c1coc(CNC(=O)[C@@H]2COCCN2CC(F)F)n1 ZINC001608988405 1019304724 /nfs/dbraw/zinc/30/47/24/1019304724.db2.gz GLJCLZGZBTUJRN-QMMMGPOBSA-N -1 0 319.264 -0.045 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CC[C@H](N3CCCC3=O)C2)c1 ZINC001608984186 1019304782 /nfs/dbraw/zinc/30/47/82/1019304782.db2.gz ZHPSJXILSKWENT-NSHDSACASA-N -1 0 306.322 -0.195 20 0 DBADRM O=C([O-])c1cncc(C(=O)NCCNC(=O)c2ccn[nH]2)c1 ZINC001608979897 1019305073 /nfs/dbraw/zinc/30/50/73/1019305073.db2.gz ZPMGPMRJBCRAAH-UHFFFAOYSA-N -1 0 303.278 -0.337 20 0 DBADRM O=C([O-])c1coc(C(=O)NCCN2CCS(=O)(=O)CC2)c1 ZINC001608986268 1019305093 /nfs/dbraw/zinc/30/50/93/1019305093.db2.gz BBDARLNLEDJBIT-UHFFFAOYSA-N -1 0 316.335 -0.562 20 0 DBADRM O=C([O-])c1coc(C(=O)NCCNC(=O)c2cnccn2)c1 ZINC001608986660 1019305141 /nfs/dbraw/zinc/30/51/41/1019305141.db2.gz PSRFNBBTKUZWRQ-UHFFFAOYSA-N -1 0 304.262 -0.072 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)c2nc[nH]n2)nc1 ZINC001608975738 1019305538 /nfs/dbraw/zinc/30/55/38/1019305538.db2.gz MECGFKANBWYQOT-IUCAKERBSA-N -1 0 315.293 -0.604 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)NCCOCCCO)c1 ZINC001608982923 1019305598 /nfs/dbraw/zinc/30/55/98/1019305598.db2.gz FPBLYHIXYHSXQD-UHFFFAOYSA-N -1 0 304.324 -0.543 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)c2ccnnc2)nc1 ZINC001608976835 1019306161 /nfs/dbraw/zinc/30/61/61/1019306161.db2.gz IAJPIWWLARWLBI-SNVBAGLBSA-N -1 0 318.293 -0.832 20 0 DBADRM O=C([O-])c1cnc(NC/C=C/CNC(=O)[C@@H]2COCCO2)nc1 ZINC001608977627 1019306478 /nfs/dbraw/zinc/30/64/78/1019306478.db2.gz SPMJNBMZIBVYJV-GXFZAYBSSA-N -1 0 322.321 -0.326 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)[C@@H]2C[C@H]2C2CC2)n1 ZINC001608998855 1019307426 /nfs/dbraw/zinc/30/74/26/1019307426.db2.gz GEZLXFWUDKRTFV-GARJFASQSA-N -1 0 320.349 -0.468 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCCN(C(=O)c3cnon3)C2)n1 ZINC001608999189 1019308108 /nfs/dbraw/zinc/30/81/08/1019308108.db2.gz PKWPCFALXFAYOI-MRVPVSSYSA-N -1 0 318.293 -0.304 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)[C@@H]2CC23CCC3)n1 ZINC001608999090 1019308453 /nfs/dbraw/zinc/30/84/53/1019308453.db2.gz MEXIFXDGGCXLQZ-ZJUUUORDSA-N -1 0 320.349 -0.324 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)Cc3cnoc3)C2)n1 ZINC001608999747 1019308485 /nfs/dbraw/zinc/30/84/85/1019308485.db2.gz QOXIAMWVLXVOGS-JTQLQIEISA-N -1 0 317.305 -0.160 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)n1 ZINC001608999756 1019308618 /nfs/dbraw/zinc/30/86/18/1019308618.db2.gz QTHMYOYQMPEPJO-QPJWQJBDSA-N -1 0 318.333 -0.452 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@@H](NC(=O)c3n[nH]cc3F)C2)n1 ZINC001608999621 1019309013 /nfs/dbraw/zinc/30/90/13/1019309013.db2.gz JSCXMJKWQHYHOO-KNVOCYPGSA-N -1 0 320.284 -0.168 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)NC[C@@H](O)[C@@H]2CCCO2)c1 ZINC001608990523 1019309536 /nfs/dbraw/zinc/30/95/36/1019309536.db2.gz CGJTUMONJRRUQU-BDAKNGLRSA-N -1 0 305.308 -0.204 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CC(NC2COC2)C1 ZINC001609002622 1019309968 /nfs/dbraw/zinc/30/99/68/1019309968.db2.gz AXZHZNLDWKKMCD-UHFFFAOYSA-N -1 0 311.294 -0.911 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)N1CCS(=O)(=O)CC1 ZINC001609002198 1019311225 /nfs/dbraw/zinc/31/12/25/1019311225.db2.gz HVXSLJSBIAPJKW-UHFFFAOYSA-N -1 0 302.308 -0.438 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N[C@H](CO)c1ncc[nH]1 ZINC001609000822 1019313239 /nfs/dbraw/zinc/31/32/39/1019313239.db2.gz RAIRBBZPNUDJNO-SSDOTTSWSA-N -1 0 312.307 -0.485 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001609003322 1019313297 /nfs/dbraw/zinc/31/32/97/1019313297.db2.gz HMPVPIYYCAXETM-PHDIDXHHSA-N -1 0 310.328 -0.065 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)NC[C@@H]1COCCN1 ZINC001609010364 1019313607 /nfs/dbraw/zinc/31/36/07/1019313607.db2.gz LIBDOXGYNYGMGT-SSDOTTSWSA-N -1 0 306.365 -0.287 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)c2ccc(Cn3ccnn3)o2)CC1 ZINC001609028596 1019314215 /nfs/dbraw/zinc/31/42/15/1019314215.db2.gz YBCPUJNXUSOCGC-UHFFFAOYSA-N -1 0 320.305 -0.029 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)nn1 ZINC001609035630 1019315337 /nfs/dbraw/zinc/31/53/37/1019315337.db2.gz KPAIFNMVSIBICI-UWVGGRQHSA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCNC(=O)CC2)n[nH]1 ZINC001609037390 1019315904 /nfs/dbraw/zinc/31/59/04/1019315904.db2.gz VEFAJMODDYHIIT-LURJTMIESA-N -1 0 302.312 -0.945 20 0 DBADRM O=C([O-])c1cnc(NCCCNC(=O)[C@H]2CCCC(=O)N2)nc1 ZINC001609037904 1019316312 /nfs/dbraw/zinc/31/63/12/1019316312.db2.gz KJEOJBCKNWIQTO-SNVBAGLBSA-N -1 0 321.337 -0.238 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N[C@H]2CCNC(=O)CC2)CCC1 ZINC001609036941 1019316488 /nfs/dbraw/zinc/31/64/88/1019316488.db2.gz IHZOJIVQHDDJLD-SECBINFHSA-N -1 0 304.368 -0.171 20 0 DBADRM O=C([O-])[C@@H](Cc1cncs1)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001609034703 1019316793 /nfs/dbraw/zinc/31/67/93/1019316793.db2.gz BGDCQHKMJDTYCV-HTRCEHHLSA-N -1 0 311.319 -0.692 20 0 DBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)NC[C@H]2CNC(=O)C2)c1 ZINC001609036456 1019317067 /nfs/dbraw/zinc/31/70/67/1019317067.db2.gz VPTACZBDYVACOY-SSDOTTSWSA-N -1 0 316.310 -0.062 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)[C@H]3CCC(=O)C3)CC2)CCOC1 ZINC001609034564 1019317121 /nfs/dbraw/zinc/31/71/21/1019317121.db2.gz WLFBIJGZINJDHD-NHYWBVRUSA-N -1 0 310.350 -0.257 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCC[C@@H]2CNC(=O)C2)c1=O ZINC001609036359 1019317153 /nfs/dbraw/zinc/31/71/53/1019317153.db2.gz SXNHPHRPRGBHMH-VIFPVBQESA-N -1 0 307.306 -0.811 20 0 DBADRM O=C([O-])c1cccc(NC(=O)COC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001609035837 1019317379 /nfs/dbraw/zinc/31/73/79/1019317379.db2.gz PIVQDEHNDJGDMN-MRVPVSSYSA-N -1 0 321.289 -0.212 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)NCC[C@@H]3CNC(=O)C3)C2)C1 ZINC001609036558 1019317521 /nfs/dbraw/zinc/31/75/21/1019317521.db2.gz XWMPHEXAWWHNOJ-XPTSAGLGSA-N -1 0 324.337 -0.472 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]2CCC[C@@H]21 ZINC001609040881 1019319135 /nfs/dbraw/zinc/31/91/35/1019319135.db2.gz BZNONAVUMBMJEX-WOPDTQHZSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Nc2cccc3c2OCC(=O)N3)C1 ZINC001609042047 1019319314 /nfs/dbraw/zinc/31/93/14/1019319314.db2.gz JMFZFMIHTZHNMC-UHFFFAOYSA-N -1 0 307.262 -0.319 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCC([C@H]3COC(=O)N3)CC2)c1 ZINC001609043941 1019319792 /nfs/dbraw/zinc/31/97/92/1019319792.db2.gz NJFISMHZJWOSID-LLVKDONJSA-N -1 0 322.321 -0.072 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]2CCC[C@H]21 ZINC001609040880 1019319882 /nfs/dbraw/zinc/31/98/82/1019319882.db2.gz BZNONAVUMBMJEX-SRVKXCTJSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)CCN2CCOC2=O)CCCC1 ZINC001609047129 1019321457 /nfs/dbraw/zinc/32/14/57/1019321457.db2.gz MSIYTCJKNXDDFY-UHFFFAOYSA-N -1 0 306.340 -0.245 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC([C@@H]3COC(=O)N3)CC2)nn1 ZINC001609044289 1019321981 /nfs/dbraw/zinc/32/19/81/1019321981.db2.gz RVOVGXYATKNMAP-JTQLQIEISA-N -1 0 323.309 -0.677 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2coc3c2C(=O)NCCC3)CCO1 ZINC001609045424 1019322013 /nfs/dbraw/zinc/32/20/13/1019322013.db2.gz WJQXKUFCWWEEBX-SNVBAGLBSA-N -1 0 308.290 -0.119 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC([C@H]3COC(=O)N3)CC2)nn1 ZINC001609044290 1019322066 /nfs/dbraw/zinc/32/20/66/1019322066.db2.gz RVOVGXYATKNMAP-SNVBAGLBSA-N -1 0 323.309 -0.677 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001609044897 1019322356 /nfs/dbraw/zinc/32/23/56/1019322356.db2.gz BKKNTKNSVBWUGK-BDAKNGLRSA-N -1 0 322.317 -0.137 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@H]1COC(=O)N1)Oc1ccc(F)cc1 ZINC001609045928 1019322413 /nfs/dbraw/zinc/32/24/13/1019322413.db2.gz SOFZSUCDOLMORS-ZJUUUORDSA-N -1 0 312.253 -0.118 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC001609046666 1019323070 /nfs/dbraw/zinc/32/30/70/1019323070.db2.gz VFYVIJPUEZBQLB-JLLWLGSASA-N -1 0 305.286 -0.186 20 0 DBADRM O=C([O-])C1(C(=O)CN2C(=O)c3cccnc3S2(=O)=O)CC1 ZINC001609047402 1019323506 /nfs/dbraw/zinc/32/35/06/1019323506.db2.gz YJICIQXQDWDYPI-UHFFFAOYSA-N -1 0 310.287 -0.340 20 0 DBADRM O=CN1CCCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CC1 ZINC001609047910 1019323687 /nfs/dbraw/zinc/32/36/87/1019323687.db2.gz VJZRFGIKNWLALV-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM O=CNc1ccc(C(=O)NCCC(=O)NCCC(=O)[O-])cc1 ZINC001609047657 1019324106 /nfs/dbraw/zinc/32/41/06/1019324106.db2.gz JLCSDXRRVSFSGT-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM C[C@H](C(=O)N1CC([C@@H]2CCOC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068156 1019324314 /nfs/dbraw/zinc/32/43/14/1019324314.db2.gz MCDFIQQZDFJOQZ-RKDXNWHRSA-N -1 0 318.341 -0.486 20 0 DBADRM O=Cc1ccc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)[nH]1 ZINC001609049395 1019325822 /nfs/dbraw/zinc/32/58/22/1019325822.db2.gz PZTBYDCHJINLQH-UHFFFAOYSA-N -1 0 314.319 -0.411 20 0 DBADRM O=CN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC001609047567 1019327040 /nfs/dbraw/zinc/32/70/40/1019327040.db2.gz FTXBLDGYISMZKU-UHFFFAOYSA-N -1 0 313.335 -0.367 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC001609047320 1019327854 /nfs/dbraw/zinc/32/78/54/1019327854.db2.gz WFAOKWNKNQNUDS-UJNFCWOMSA-N -1 0 318.351 -0.248 20 0 DBADRM C[C@@H](C(=O)OCCCn1ccnc1)n1cnc(-c2nnn[n-]2)n1 ZINC001609072326 1019329844 /nfs/dbraw/zinc/32/98/44/1019329844.db2.gz LJEMXSGGKXRPNO-VIFPVBQESA-N -1 0 317.313 -0.151 20 0 DBADRM C[C@@H](C(=O)N1CC[C@]2(CCOC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068824 1019332269 /nfs/dbraw/zinc/33/22/69/1019332269.db2.gz NRBFFBLRPOQVBB-ZANVPECISA-N -1 0 318.341 -0.342 20 0 DBADRM CC(C)(C)CCNC(=O)Cn1cncc(-c2nnn[n-]2)c1=O ZINC001609075218 1019334108 /nfs/dbraw/zinc/33/41/08/1019334108.db2.gz DZTIMPJDGNVWCL-UHFFFAOYSA-N -1 0 305.342 -0.024 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCSC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609070656 1019334667 /nfs/dbraw/zinc/33/46/67/1019334667.db2.gz OWTZNDQMPWWIPA-SFYZADRCSA-N -1 0 308.371 -0.112 20 0 DBADRM C[C@H](C(=O)NCC(=O)C(C)(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001609069676 1019334814 /nfs/dbraw/zinc/33/48/14/1019334814.db2.gz CXQNOTXKNAWSAN-SSDOTTSWSA-N -1 0 306.330 -0.249 20 0 DBADRM CC(C)C[C@@H](O)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609093377 1019336400 /nfs/dbraw/zinc/33/64/00/1019336400.db2.gz ZXYCAFOWBFKVFO-SECBINFHSA-N -1 0 323.361 -0.836 20 0 DBADRM CC(C)[C@@H](CCO)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609087521 1019338573 /nfs/dbraw/zinc/33/85/73/1019338573.db2.gz ZXRPEMZVTBHDAZ-DTWKUNHWSA-N -1 0 308.346 -0.458 20 0 DBADRM CC(C)(CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)C(N)=O ZINC001609083742 1019339563 /nfs/dbraw/zinc/33/95/63/1019339563.db2.gz WGLVZLZBPPBOQH-UHFFFAOYSA-N -1 0 304.310 -0.186 20 0 DBADRM CC(C)C[C@H](O)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609093378 1019340975 /nfs/dbraw/zinc/34/09/75/1019340975.db2.gz ZXYCAFOWBFKVFO-VIFPVBQESA-N -1 0 323.361 -0.836 20 0 DBADRM C[C@H](CO)CCCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609114382 1019347846 /nfs/dbraw/zinc/34/78/46/1019347846.db2.gz HBIICEBRYKACRW-IUCAKERBSA-N -1 0 308.346 -0.456 20 0 DBADRM C/C=C(\C)C(=O)NCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001575006999 1019354760 /nfs/dbraw/zinc/35/47/60/1019354760.db2.gz HNJHDGIQBWQTJE-YCRREMRBSA-N -1 0 311.342 -0.332 20 0 DBADRM C[C@@H](c1nc(-c2cnccn2)no1)n1cnc(-c2nnn[n-]2)n1 ZINC001609142212 1019358216 /nfs/dbraw/zinc/35/82/16/1019358216.db2.gz PNWCATORGINMMA-LURJTMIESA-N -1 0 311.269 -0.093 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@]2(F)CCOC2)c1[O-] ZINC001575026144 1019361719 /nfs/dbraw/zinc/36/17/19/1019361719.db2.gz FSDGFKXDNBKVSE-LBPRGKRZSA-N -1 0 300.290 -0.602 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2n[nH]c3c2CCC3)c1[O-] ZINC001575027066 1019362697 /nfs/dbraw/zinc/36/26/97/1019362697.db2.gz QWQFQMXZDSSMRF-UHFFFAOYSA-N -1 0 318.337 -0.205 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@H]2OCCO[C@H]2C)c1[O-] ZINC001575026848 1019363602 /nfs/dbraw/zinc/36/36/02/1019363602.db2.gz PTFVCVNBKWOAAS-KWQFWETISA-N -1 0 312.326 -0.926 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)N2CC3(C2)NC(=O)NC3=O)cc1 ZINC001575041303 1019368688 /nfs/dbraw/zinc/36/86/88/1019368688.db2.gz SQZDJULNQTWTMW-UHFFFAOYSA-N -1 0 318.289 -0.512 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NS(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC001575039398 1019368754 /nfs/dbraw/zinc/36/87/54/1019368754.db2.gz JYIVPEVEGBGJQQ-NRPADANISA-N -1 0 302.352 -0.468 20 0 DBADRM CC[C@H]1CN(C)CCN1C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609201625 1019368818 /nfs/dbraw/zinc/36/88/18/1019368818.db2.gz MJUXRDMBTIIZNM-UWVGGRQHSA-N -1 0 319.373 -0.428 20 0 DBADRM CC[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)(C)O ZINC001609192145 1019369768 /nfs/dbraw/zinc/36/97/68/1019369768.db2.gz XFPMTNFLOCYWSF-HTQZYQBOSA-N -1 0 308.346 -0.315 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)NC1CCC2(CC1)NC(=O)NC2=O ZINC001575041296 1019370095 /nfs/dbraw/zinc/37/00/95/1019370095.db2.gz QEJXYACQBWYCKZ-NRJXTTLSSA-N -1 0 324.337 -0.330 20 0 DBADRM C[C@@H]1OCCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)[C@H]1C ZINC001609179712 1019370651 /nfs/dbraw/zinc/37/06/51/1019370651.db2.gz WJCIPVZDUOJRHC-IUCAKERBSA-N -1 0 321.345 -0.723 20 0 DBADRM CC[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1)C(=O)[O-] ZINC001609194833 1019372328 /nfs/dbraw/zinc/37/23/28/1019372328.db2.gz PGQFMGVMXCUPNR-ZETCQYMHSA-N -1 0 312.311 -0.597 20 0 DBADRM CC[C@H]1CCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001609200936 1019372663 /nfs/dbraw/zinc/37/26/63/1019372663.db2.gz QUZCIBNRNZSYQV-VIFPVBQESA-N -1 0 305.346 -0.100 20 0 DBADRM CC[C@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)OC ZINC001609190208 1019372768 /nfs/dbraw/zinc/37/27/68/1019372768.db2.gz CCOPCPFPSXWORZ-SSDOTTSWSA-N -1 0 309.330 -0.899 20 0 DBADRM CCCc1nc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)no1 ZINC001609217981 1019379571 /nfs/dbraw/zinc/37/95/71/1019379571.db2.gz ASNOTNIEGQZFIX-UHFFFAOYSA-N -1 0 304.270 -0.487 20 0 DBADRM CCCc1noc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)n1 ZINC001609218022 1019379956 /nfs/dbraw/zinc/37/99/56/1019379956.db2.gz CSOLXSDYCWSKBR-UHFFFAOYSA-N -1 0 304.270 -0.487 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCOCC(F)F)c1=O ZINC001609258161 1019388735 /nfs/dbraw/zinc/38/87/35/1019388735.db2.gz SQUSTSRWTMAMKC-UHFFFAOYSA-N -1 0 316.268 -0.508 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2csnn2)c1=O ZINC001609258123 1019389786 /nfs/dbraw/zinc/38/97/86/1019389786.db2.gz RUZHTVSMCMDFME-UHFFFAOYSA-N -1 0 306.311 -0.890 20 0 DBADRM CCn1ncc(C(=O)Cn2ccc(C)c(-c3nnn[n-]3)c2=O)n1 ZINC001609260255 1019390790 /nfs/dbraw/zinc/39/07/90/1019390790.db2.gz QKWFJXACFCIFBN-UHFFFAOYSA-N -1 0 314.309 -0.169 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC[C@@H]2CCOC2)c1=O ZINC001609258038 1019391563 /nfs/dbraw/zinc/39/15/63/1019391563.db2.gz PLQIEIXFZHPCGZ-SECBINFHSA-N -1 0 306.326 -0.363 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@H](OC)C2CC2)c1=O ZINC001609257499 1019393194 /nfs/dbraw/zinc/39/31/94/1019393194.db2.gz AEKMOYVIVRIWQL-JTQLQIEISA-N -1 0 306.326 -0.365 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001609274547 1019394288 /nfs/dbraw/zinc/39/42/88/1019394288.db2.gz SZPACUVBZIMNLB-UHFFFAOYSA-N -1 0 312.311 -0.643 20 0 DBADRM CCCC[C@@H](C)C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001575095837 1019402460 /nfs/dbraw/zinc/40/24/60/1019402460.db2.gz SXLNWUBWOFVNFD-SECBINFHSA-N -1 0 313.358 -0.252 20 0 DBADRM COC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609310495 1019418838 /nfs/dbraw/zinc/41/88/38/1019418838.db2.gz ISNHAPNFJVPKDA-UHFFFAOYSA-N -1 0 323.334 -0.149 20 0 DBADRM COC[C@@H](C)NC(=S)NNc1oc(C)nc1-c1nnn[n-]1 ZINC001609317841 1019428388 /nfs/dbraw/zinc/42/83/88/1019428388.db2.gz QRJFYQSNBYBQGF-RXMQYKEDSA-N -1 0 312.359 -0.011 20 0 DBADRM COC[C@H]1CCCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001609319907 1019429763 /nfs/dbraw/zinc/42/97/63/1019429763.db2.gz PTOLZADGPBJMKQ-ZJUUUORDSA-N -1 0 320.357 -0.096 20 0 DBADRM COC1(CC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCC1 ZINC001609312844 1019430796 /nfs/dbraw/zinc/43/07/96/1019430796.db2.gz TWHDGGZXBVWJAX-UHFFFAOYSA-N -1 0 306.330 -0.466 20 0 DBADRM COCCS(=O)(=O)Oc1ccc(F)nc1-c1nnn[n-]1 ZINC001609329838 1019435137 /nfs/dbraw/zinc/43/51/37/1019435137.db2.gz DSZSJKMIVJCPCH-UHFFFAOYSA-N -1 0 303.275 -0.244 20 0 DBADRM COCc1nsc(NCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001609332123 1019435840 /nfs/dbraw/zinc/43/58/40/1019435840.db2.gz VIYLQFHWAMACEJ-UHFFFAOYSA-N -1 0 308.331 -0.432 20 0 DBADRM Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1nc(=O)o[n-]1 ZINC001609387345 1019449847 /nfs/dbraw/zinc/44/98/47/1019449847.db2.gz GUXQJRKELHEQFE-UHFFFAOYSA-N -1 0 301.266 -0.219 20 0 DBADRM Cc1cnn(CCOC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)c1 ZINC001609441856 1019454266 /nfs/dbraw/zinc/45/42/66/1019454266.db2.gz JXOYTWSUAJQXLM-VIFPVBQESA-N -1 0 317.313 -0.232 20 0 DBADRM Cc1nn(CC[C@H]2CCOC2=O)c(=O)c(-c2nnn[n-]2)c1C ZINC001609459404 1019461780 /nfs/dbraw/zinc/46/17/80/1019461780.db2.gz FOHPJIUBOHJXCB-VIFPVBQESA-N -1 0 304.310 -0.007 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1-c1nn[nH]n1 ZINC001609456555 1019466636 /nfs/dbraw/zinc/46/66/36/1019466636.db2.gz URELTGPRJIEXKG-ZCFIWIBFSA-N -1 0 312.311 -0.678 20 0 DBADRM Cc1noc2ncnc(NCCn3cnc(-c4nnn[n-]4)n3)c12 ZINC001609463549 1019469270 /nfs/dbraw/zinc/46/92/70/1019469270.db2.gz SECPXFKBDWPLCM-UHFFFAOYSA-N -1 0 313.285 -0.190 20 0 DBADRM Cn1cc(-c2nn[nH]n2)cc1C(=O)NCCc1n[n-]c(=S)o1 ZINC001609477822 1019477346 /nfs/dbraw/zinc/47/73/46/1019477346.db2.gz KJMCSLXUFALHJQ-UHFFFAOYSA-N -1 0 320.338 -0.151 20 0 DBADRM O=C(N[C@@]1(CO)CCOC1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609539686 1019500542 /nfs/dbraw/zinc/50/05/42/1019500542.db2.gz VRMDYRDYSICQJF-CYBMUJFWSA-N -1 0 305.294 -0.547 20 0 DBADRM O=C(N[C@]1(CCO)CCOC1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609539486 1019502448 /nfs/dbraw/zinc/50/24/48/1019502448.db2.gz HRKOZCYGRAIWSP-CQSZACIVSA-N -1 0 319.321 -0.156 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cccc(Cl)n1 ZINC001609552800 1019509823 /nfs/dbraw/zinc/50/98/23/1019509823.db2.gz XQLBJQHWOQBOCK-UHFFFAOYSA-N -1 0 319.716 -0.063 20 0 DBADRM O=C([N-]OCC1CC1)C(=O)Nc1cccc(-c2nn[nH]n2)n1 ZINC001609559698 1019513159 /nfs/dbraw/zinc/51/31/59/1019513159.db2.gz ACNQUMYMYXQAMX-UHFFFAOYSA-N -1 0 303.282 -0.342 20 0 DBADRM O=C(NC[C@@]1(O)CCOC1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609545112 1019514464 /nfs/dbraw/zinc/51/44/64/1019514464.db2.gz JAEMJTAXUFGGNE-ZDUSSCGKSA-N -1 0 305.294 -0.547 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1cccc(-c2nn[nH]n2)n1 ZINC001609548828 1019515370 /nfs/dbraw/zinc/51/53/70/1019515370.db2.gz ZJNWVBHWBNAFIZ-UHFFFAOYSA-N -1 0 315.297 -0.552 20 0 DBADRM C[C@H](NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C1(C)CC1 ZINC001575295439 1019519398 /nfs/dbraw/zinc/51/93/98/1019519398.db2.gz XDEHTDHASMCSSC-ZETCQYMHSA-N -1 0 319.325 -0.566 20 0 DBADRM CC(=O)N1CC(C(=O)OCC(=O)N[C@H](CC(C)C)C(=O)[O-])C1 ZINC001609583714 1019522664 /nfs/dbraw/zinc/52/26/64/1019522664.db2.gz BEQGHDMXOAEVJN-LLVKDONJSA-N -1 0 314.338 -0.377 20 0 DBADRM O=S(=O)(NC[C@H]1COCCO1)c1ccc(-c2nnn[n-]2)o1 ZINC001609595060 1019523769 /nfs/dbraw/zinc/52/37/69/1019523769.db2.gz UBICMMPQDRFWMR-ZETCQYMHSA-N -1 0 315.311 -0.847 20 0 DBADRM O=S(=O)(NC[C@H]1CCC[C@@H]1O)c1ccc(-c2nnn[n-]2)o1 ZINC001609595317 1019524892 /nfs/dbraw/zinc/52/48/92/1019524892.db2.gz OAMWNJIJLBZDLG-SFYZADRCSA-N -1 0 313.339 -0.101 20 0 DBADRM CC(C)(F)C(=O)N1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001505819131 1019528494 /nfs/dbraw/zinc/52/84/94/1019528494.db2.gz LJUBYWBWMSVGAI-ZETCQYMHSA-N -1 0 315.305 -0.846 20 0 DBADRM O=S1(=O)CCC[C@H](COc2cnc(-c3nnn[n-]3)nc2)C1 ZINC001609598384 1019529190 /nfs/dbraw/zinc/52/91/90/1019529190.db2.gz BCBFZQLEMZBTJU-MRVPVSSYSA-N -1 0 310.339 -0.140 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1C[C@H]2C[C@@]2(CO)C1 ZINC001609597084 1019530645 /nfs/dbraw/zinc/53/06/45/1019530645.db2.gz BLVNAXQRAUGATB-HQJQHLMTSA-N -1 0 311.323 -0.537 20 0 DBADRM c1cnc(N2CCC[C@H](Nc3ccnc(-c4nnn[n-]4)n3)C2)nc1 ZINC001609619365 1019534266 /nfs/dbraw/zinc/53/42/66/1019534266.db2.gz NONCYUBOASTBIO-JTQLQIEISA-N -1 0 324.352 -0.051 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)CCCN1CCCC1=O)C(=O)[O-] ZINC001609622355 1019535511 /nfs/dbraw/zinc/53/55/11/1019535511.db2.gz QYGRJQWYHOQMPU-JTQLQIEISA-N -1 0 320.367 -0.997 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)Cc1nc(C2CC2)no1)C(=O)[O-] ZINC001609622518 1019536034 /nfs/dbraw/zinc/53/60/34/1019536034.db2.gz ARGDGUIBZZGUNS-FFVOIRBGSA-N -1 0 301.324 -0.215 20 0 DBADRM c1nc(-c2nnn[n-]2)nn1Cc1nnnn1Cc1ccccc1 ZINC001609617215 1019536225 /nfs/dbraw/zinc/53/62/25/1019536225.db2.gz BDIFXIFDJDPJRN-UHFFFAOYSA-N -1 0 309.297 -0.459 20 0 DBADRM C[C@H](C(=O)NC(N)=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001609634748 1019537954 /nfs/dbraw/zinc/53/79/54/1019537954.db2.gz LCUGXXSOTIYBIK-HTQZYQBOSA-N -1 0 310.314 -0.803 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC(=O)N(C)[C@@H](C)C1 ZINC001609632551 1019538211 /nfs/dbraw/zinc/53/82/11/1019538211.db2.gz VDZBWRPSAVPZIH-WDEREUQCSA-N -1 0 311.382 -0.139 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCn2ncnc2C1 ZINC001609632870 1019539184 /nfs/dbraw/zinc/53/91/84/1019539184.db2.gz JBRLDDHLENULAJ-JTQLQIEISA-N -1 0 307.354 -0.195 20 0 DBADRM C[C@@H](C(=O)N[C@@]1(CC(=O)[O-])CCCOC1)N1CCN(C)CC1 ZINC001609634786 1019539487 /nfs/dbraw/zinc/53/94/87/1019539487.db2.gz NBOXLOXWAVDZAG-SWLSCSKDSA-N -1 0 313.398 -0.238 20 0 DBADRM CC(C)(C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)N1CCOCC1 ZINC001609647350 1019541570 /nfs/dbraw/zinc/54/15/70/1019541570.db2.gz FRDSGCWBQMCNLL-UHFFFAOYSA-N -1 0 323.353 -0.530 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC001609635524 1019542676 /nfs/dbraw/zinc/54/26/76/1019542676.db2.gz ZRPFZLDHIASXKN-VHSXEESVSA-N -1 0 306.384 -0.668 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H](CF)C(=O)[O-] ZINC001609665572 1019544473 /nfs/dbraw/zinc/54/44/73/1019544473.db2.gz NFSPKDSJFRKLFV-SSDOTTSWSA-N -1 0 321.305 -0.834 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001609669071 1019544716 /nfs/dbraw/zinc/54/47/16/1019544716.db2.gz LOUNDFNHLIFHLO-DTWKUNHWSA-N -1 0 307.368 -0.506 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001609669073 1019544762 /nfs/dbraw/zinc/54/47/62/1019544762.db2.gz LOUNDFNHLIFHLO-RKDXNWHRSA-N -1 0 307.368 -0.506 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC001609652921 1019544930 /nfs/dbraw/zinc/54/49/30/1019544930.db2.gz HFHHOOLXVAJRHV-UHFFFAOYSA-N -1 0 309.366 -0.351 20 0 DBADRM CC(C)(CNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1)C(N)=O ZINC001609675371 1019546009 /nfs/dbraw/zinc/54/60/09/1019546009.db2.gz MNBMOICJXREXHY-UHFFFAOYSA-N -1 0 321.333 -0.120 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCN2CCOC[C@H]2C1)C(=O)[O-] ZINC001609677548 1019546868 /nfs/dbraw/zinc/54/68/68/1019546868.db2.gz YHVHSYPPAWARKB-SNVBAGLBSA-N -1 0 306.384 -0.557 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)[C@@H]1CCC(=O)NC1)C(=O)[O-] ZINC001609693767 1019547447 /nfs/dbraw/zinc/54/74/47/1019547447.db2.gz BTHBINVUUMIGHF-NXEZZACHSA-N -1 0 314.338 -0.329 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1C[C@@H]2C[C@H]1C[S@]2=O)C(=O)[O-] ZINC001609694001 1019547481 /nfs/dbraw/zinc/54/74/81/1019547481.db2.gz KRSUCHQRGZSHTG-PIKGMYQHSA-N -1 0 302.396 -0.193 20 0 DBADRM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NC[C@H](O)C(=O)[O-] ZINC001609686653 1019548726 /nfs/dbraw/zinc/54/87/26/1019548726.db2.gz PLFCVOMNFYCSQL-QWRGUYRKSA-N -1 0 309.322 -0.602 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCOC[C@H]1CC(N)=O)C(=O)[O-] ZINC001609693819 1019548736 /nfs/dbraw/zinc/54/87/36/1019548736.db2.gz FJKWJLXLTUOLFN-GHMZBOCLSA-N -1 0 315.370 -0.822 20 0 DBADRM CC(C)(NC[C@@H](O)CN1CCOCC1)c1nocc1C(=O)[O-] ZINC001609680358 1019548984 /nfs/dbraw/zinc/54/89/84/1019548984.db2.gz JVESSFQUPYWROM-SNVBAGLBSA-N -1 0 313.354 -0.109 20 0 DBADRM CC(C)(CS(=O)(=O)N1CC[C@@H](n2cncn2)C1)C(=O)[O-] ZINC001609676706 1019549091 /nfs/dbraw/zinc/54/90/91/1019549091.db2.gz DCBKAQMQABORCN-SECBINFHSA-N -1 0 302.356 -0.035 20 0 DBADRM CC(C)C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCS(C)(=O)=O ZINC001609701729 1019551573 /nfs/dbraw/zinc/55/15/73/1019551573.db2.gz GXVPXRUFEFHFQZ-VIFPVBQESA-N -1 0 315.413 -0.208 20 0 DBADRM CC(C)NC(=O)CN1CCN(c2ncncc2C(=O)[O-])CC1 ZINC001609707194 1019551711 /nfs/dbraw/zinc/55/17/11/1019551711.db2.gz UCNWWIJWAPQQDI-UHFFFAOYSA-N -1 0 307.354 -0.179 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1=O ZINC001609706155 1019551742 /nfs/dbraw/zinc/55/17/42/1019551742.db2.gz WYHARAZORJEMKC-AXFHLTTASA-N -1 0 313.354 -0.527 20 0 DBADRM CC(C)N(CCC(=O)[O-])C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC001609704919 1019552169 /nfs/dbraw/zinc/55/21/69/1019552169.db2.gz NOODSFIWONBSQO-NSHDSACASA-N -1 0 320.411 -0.183 20 0 DBADRM CC(C)n1nccc1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001609725157 1019553950 /nfs/dbraw/zinc/55/39/50/1019553950.db2.gz MWPAZUIVIALYFI-ZJUUUORDSA-N -1 0 324.337 -0.304 20 0 DBADRM CC(C)[C@H](NC(=O)CN1C[C@@H](C)S(=O)(=O)[C@@H](C)C1)C(=O)[O-] ZINC001609716775 1019554155 /nfs/dbraw/zinc/55/41/55/1019554155.db2.gz TZAUQRHLLUTYDD-UMNHJUIQSA-N -1 0 320.411 -0.281 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccoc2CC(N)=O)CC1 ZINC001609735166 1019554190 /nfs/dbraw/zinc/55/41/90/1019554190.db2.gz LNCNMIABAREUCK-SNVBAGLBSA-N -1 0 323.349 -0.072 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)c1ccc(=O)n(C)n1)C(=O)[O-] ZINC001609717062 1019556872 /nfs/dbraw/zinc/55/68/72/1019556872.db2.gz GNIBMCQSSIHFJU-NSHDSACASA-N -1 0 311.294 -0.838 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001609747477 1019557694 /nfs/dbraw/zinc/55/76/94/1019557694.db2.gz CZYHHCANIDQLNA-QYPWJOEMSA-N -1 0 304.368 -0.809 20 0 DBADRM C[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])c1nnc2n1CCC2 ZINC001609750593 1019557901 /nfs/dbraw/zinc/55/79/01/1019557901.db2.gz QBJXNYFBLHWIKA-HTQZYQBOSA-N -1 0 302.356 -0.075 20 0 DBADRM C[C@H](CS(=O)(=O)Oc1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC001609747386 1019558047 /nfs/dbraw/zinc/55/80/47/1019558047.db2.gz BHRARYIIDTWNQE-MRVPVSSYSA-N -1 0 317.319 -0.020 20 0 DBADRM C[C@H](CN1CCOCC1)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001609743053 1019558235 /nfs/dbraw/zinc/55/82/35/1019558235.db2.gz BXRWLDZCLJRHES-SECBINFHSA-N -1 0 318.351 -0.023 20 0 DBADRM C[C@@H](CO)CCCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001609747888 1019558429 /nfs/dbraw/zinc/55/84/29/1019558429.db2.gz YQOQPBMNVIWFGY-GHMZBOCLSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@H](N2CCOCC2)C[C@H]1C)C(=O)[O-] ZINC001609747606 1019559842 /nfs/dbraw/zinc/55/98/42/1019559842.db2.gz MOHINEYMSJVRKN-IJLUTSLNSA-N -1 0 320.411 -0.168 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ncnn1C ZINC001609757844 1019560466 /nfs/dbraw/zinc/56/04/66/1019560466.db2.gz MPBKYYUASQROJX-SSDOTTSWSA-N -1 0 320.309 -0.332 20 0 DBADRM CC(C)(C)n1ncnc1C[S@](=O)CC(=O)NCC(=O)[O-] ZINC001609777109 1019560736 /nfs/dbraw/zinc/56/07/36/1019560736.db2.gz CXAHDONOKADLQX-FQEVSTJZSA-N -1 0 302.356 -0.517 20 0 DBADRM C[C@@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)C(N)=O ZINC001609760141 1019560968 /nfs/dbraw/zinc/56/09/68/1019560968.db2.gz AIBADJBNZAVGQL-SFYZADRCSA-N -1 0 317.342 -0.266 20 0 DBADRM C[C@](O)(CNC(=O)Cc1ccc(-n2cnnc2)cc1)C(=O)[O-] ZINC001609784861 1019562266 /nfs/dbraw/zinc/56/22/66/1019562266.db2.gz PXXKDUDPWKOAHH-AWEZNQCLSA-N -1 0 304.306 -0.238 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccc[nH]1 ZINC001609756290 1019563000 /nfs/dbraw/zinc/56/30/00/1019563000.db2.gz CINOGBCUFVKXFB-NXEZZACHSA-N -1 0 309.322 -0.106 20 0 DBADRM C[C@@H](O)CN(CCO)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001609786775 1019564227 /nfs/dbraw/zinc/56/42/27/1019564227.db2.gz LWHHECLAURAESG-SSDOTTSWSA-N -1 0 303.340 -0.023 20 0 DBADRM C[C@@H](OC(=O)C1(S(C)(=O)=O)CC1)c1cn(CC(=O)[O-])nn1 ZINC001609790286 1019565147 /nfs/dbraw/zinc/56/51/47/1019565147.db2.gz PSIHJFRLEZEAMS-SSDOTTSWSA-N -1 0 317.323 -0.456 20 0 DBADRM CC(C)[C@@H](C(=O)O[C@H](C)C(=O)C(=O)[O-])N1CCCS1(=O)=O ZINC001609790490 1019565742 /nfs/dbraw/zinc/56/57/42/1019565742.db2.gz GXRBZTMUOWXNFF-BDAKNGLRSA-N -1 0 321.351 -0.368 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)OCc1ccc(C(=O)[O-])cn1 ZINC001609787266 1019566069 /nfs/dbraw/zinc/56/60/69/1019566069.db2.gz UYQWJBJVYBXRIL-ZETCQYMHSA-N -1 0 302.308 -0.239 20 0 DBADRM C[C@H](O)c1cn(CC(=O)Nc2cccc(CC(=O)[O-])n2)nn1 ZINC001609790095 1019566274 /nfs/dbraw/zinc/56/62/74/1019566274.db2.gz BEOKHUQFDVWUEQ-QMMMGPOBSA-N -1 0 305.294 -0.008 20 0 DBADRM C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CNC2=O)C(=O)C(=O)[O-] ZINC001609797582 1019566637 /nfs/dbraw/zinc/56/66/37/1019566637.db2.gz LXXKSCKFARHPAD-ZCFIWIBFSA-N -1 0 320.257 -0.433 20 0 DBADRM C[C@H](OC(=O)C[C@@H]1NC(=O)NC1=O)C(=O)C(C)(C)C(=O)[O-] ZINC001609800464 1019566696 /nfs/dbraw/zinc/56/66/96/1019566696.db2.gz UYYSCGYFWRRUSZ-WDSKDSINSA-N -1 0 300.267 -0.804 20 0 DBADRM C[C@@H](OC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)C(C)(C)C(=O)[O-] ZINC001609795665 1019567110 /nfs/dbraw/zinc/56/71/10/1019567110.db2.gz PMIHWLQUMVNMKX-SSDOTTSWSA-N -1 0 312.278 -0.440 20 0 DBADRM C[C@H](OC(=O)c1cc(S(N)(=O)=O)ccc1F)C(=O)C(=O)[O-] ZINC001609796761 1019567466 /nfs/dbraw/zinc/56/74/66/1019567466.db2.gz NBDFSEPTPAFYLD-YFKPBYRVSA-N -1 0 319.266 -0.328 20 0 DBADRM C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1N)C(=O)[O-] ZINC001609794664 1019567990 /nfs/dbraw/zinc/56/79/90/1019567990.db2.gz RBFKOMPRZBPLEM-SSDOTTSWSA-N -1 0 302.308 -0.437 20 0 DBADRM CC1(C)CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@@]2(CCOC2)O1 ZINC001609817123 1019569775 /nfs/dbraw/zinc/56/97/75/1019569775.db2.gz ZMQRKNBYYJEAAX-CQSZACIVSA-N -1 0 324.337 -0.227 20 0 DBADRM CC1(C)CC(CNC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1 ZINC001609816124 1019569956 /nfs/dbraw/zinc/56/99/56/1019569956.db2.gz CDEOHXZCBGODRW-GHMZBOCLSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001609806440 1019571410 /nfs/dbraw/zinc/57/14/10/1019571410.db2.gz LPZVVGROVVRDBZ-VXNVDRBHSA-N -1 0 324.366 -0.029 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001609814138 1019571712 /nfs/dbraw/zinc/57/17/12/1019571712.db2.gz GTQFHGMMWPLTFB-GFCCVEGCSA-N -1 0 304.368 -0.265 20 0 DBADRM CC1(C)CC(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1 ZINC001609816126 1019571877 /nfs/dbraw/zinc/57/18/77/1019571877.db2.gz CDEOHXZCBGODRW-MNOVXSKESA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H]1C(=O)N(C)CN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001609831787 1019572994 /nfs/dbraw/zinc/57/29/94/1019572994.db2.gz WBJNSBQMTLFKLP-YFKPBYRVSA-N -1 0 305.337 -0.350 20 0 DBADRM C[C@@]1(CCCC(=O)N[C@H](CC(F)F)C(=O)[O-])NC(=O)NC1=O ZINC001609823655 1019573298 /nfs/dbraw/zinc/57/32/98/1019573298.db2.gz QMBUPRWYXKDJKB-INWYIAFRSA-N -1 0 321.280 -0.021 20 0 DBADRM CC(C)OCCN1CCN(C(=O)C(=O)NCCC(=O)[O-])CC1 ZINC001609828146 1019573361 /nfs/dbraw/zinc/57/33/61/1019573361.db2.gz GEBKZCBUNVNXCC-UHFFFAOYSA-N -1 0 315.370 -0.854 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001609831315 1019573406 /nfs/dbraw/zinc/57/34/06/1019573406.db2.gz UFHYZJHJRNBNNU-SECBINFHSA-N -1 0 304.368 -0.266 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)O1 ZINC001609819573 1019573832 /nfs/dbraw/zinc/57/38/32/1019573832.db2.gz JUQBEKJEYHVJQN-IUCAKERBSA-N -1 0 300.311 -0.813 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CCO1 ZINC001609818565 1019574395 /nfs/dbraw/zinc/57/43/95/1019574395.db2.gz LGJNDJZKZYNCLW-UWVGGRQHSA-N -1 0 322.383 -0.891 20 0 DBADRM C[C@@]1(CCC(=O)[O-])NC(=O)N(CC(=O)N2CCOCC2)C1=O ZINC001609820611 1019574459 /nfs/dbraw/zinc/57/44/59/1019574459.db2.gz BRWGLIDVACQOFF-ZDUSSCGKSA-N -1 0 313.310 -0.980 20 0 DBADRM C[C@H](Nc1ccnc(-c2nnn[n-]2)n1)C(=O)NCc1ccco1 ZINC001575438988 1019575880 /nfs/dbraw/zinc/57/58/80/1019575880.db2.gz RMXFRAZAXVLCPR-QMMMGPOBSA-N -1 0 314.309 -0.212 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1nc(CS(C)(=O)=O)no1 ZINC001609834562 1019575811 /nfs/dbraw/zinc/57/58/11/1019575811.db2.gz PETSAWDUXZMPNV-SFYZADRCSA-N -1 0 303.340 -0.091 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC001609835737 1019575906 /nfs/dbraw/zinc/57/59/06/1019575906.db2.gz RKDNNBWUSFLLHS-KOLCDFICSA-N -1 0 323.349 -0.859 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001609832287 1019576359 /nfs/dbraw/zinc/57/63/59/1019576359.db2.gz LRZFXNNVGAOZFT-WPRPVWTQSA-N -1 0 319.383 -0.618 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1nc(CS(C)(=O)=O)no1 ZINC001609834558 1019577706 /nfs/dbraw/zinc/57/77/06/1019577706.db2.gz PETSAWDUXZMPNV-JGVFFNPUSA-N -1 0 303.340 -0.091 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1coc(S(N)(=O)=O)c1 ZINC001609835409 1019577740 /nfs/dbraw/zinc/57/77/40/1019577740.db2.gz TWEAZKMFMKVIGQ-SVRRBLITSA-N -1 0 302.308 -0.138 20 0 DBADRM C[C@@H]1CCCCN1C(=O)COC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001609852337 1019578891 /nfs/dbraw/zinc/57/88/91/1019578891.db2.gz HOSIOYTVFVPGLE-SECBINFHSA-N -1 0 310.310 -0.080 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC(=O)N1 ZINC001609863749 1019579713 /nfs/dbraw/zinc/57/97/13/1019579713.db2.gz UFAHITYCMHXUFC-VIFPVBQESA-N -1 0 319.317 -0.401 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)CC[C@@H]1O ZINC001609861986 1019580211 /nfs/dbraw/zinc/58/02/11/1019580211.db2.gz APRAWTPIQNLNJY-JRPNMDOOSA-N -1 0 312.366 -0.071 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@H](CO)O[C@@H](C)C1)C(=O)[O-] ZINC001609897960 1019590457 /nfs/dbraw/zinc/59/04/57/1019590457.db2.gz AZGOJQKOJHGWHM-KQXIARHKSA-N -1 0 302.371 -0.317 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1C[C@H](C)OC2(CCOCC2)C1 ZINC001609867000 1019581823 /nfs/dbraw/zinc/58/18/23/1019581823.db2.gz KOZMOZOLRWVAAX-WDEREUQCSA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001609871232 1019582243 /nfs/dbraw/zinc/58/22/43/1019582243.db2.gz SLBSBJLYGMVJCT-FMSGJZPZSA-N -1 0 323.393 -0.092 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1C[C@H](C)OC2(CCOCC2)C1 ZINC001609866999 1019582828 /nfs/dbraw/zinc/58/28/28/1019582828.db2.gz KOZMOZOLRWVAAX-QWRGUYRKSA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C[C@@H](CO)O1 ZINC001609874239 1019583516 /nfs/dbraw/zinc/58/35/16/1019583516.db2.gz JXTWSAJKHKZLGT-UWVGGRQHSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC001609864580 1019584100 /nfs/dbraw/zinc/58/41/00/1019584100.db2.gz FKLYVQABFAHDTQ-MRVPVSSYSA-N -1 0 322.321 -0.299 20 0 DBADRM C[C@H]1COCCN1CCNS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001609876563 1019585197 /nfs/dbraw/zinc/58/51/97/1019585197.db2.gz HOUURWPSYJCFOH-VIFPVBQESA-N -1 0 318.351 -0.023 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001609876849 1019585298 /nfs/dbraw/zinc/58/52/98/1019585298.db2.gz PIKCKMBQWVVLGR-UTUOFQBUSA-N -1 0 315.370 -0.816 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001609882398 1019585814 /nfs/dbraw/zinc/58/58/14/1019585814.db2.gz HPZBIEMCVSRSOL-VIFPVBQESA-N -1 0 309.326 -0.649 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)N[C@H](CC(=O)[O-])C(=O)OC)C1 ZINC001609883506 1019586530 /nfs/dbraw/zinc/58/65/30/1019586530.db2.gz OWUAAFGWXBIFNL-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C[C@H](CO)O1 ZINC001609874647 1019586669 /nfs/dbraw/zinc/58/66/69/1019586669.db2.gz NIDARLBSFCPURU-RKDXNWHRSA-N -1 0 316.335 -0.450 20 0 DBADRM CC[C@@H](C)[C@@H](O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001609898251 1019588548 /nfs/dbraw/zinc/58/85/48/1019588548.db2.gz AQAKDAWNFOVBKF-SCZZXKLOSA-N -1 0 305.356 -0.347 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@@H]1COCCO1)C(=O)[O-] ZINC001609899364 1019588380 /nfs/dbraw/zinc/58/83/80/1019588380.db2.gz BTWZEVNEAYSFEP-QXEWZRGKSA-N -1 0 303.311 -0.440 20 0 DBADRM CC[C@@](C)(NC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001609896679 1019588531 /nfs/dbraw/zinc/58/85/31/1019588531.db2.gz YDWLJUGAIUXISH-LLVKDONJSA-N -1 0 301.324 -0.288 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@H]([C@H](C)O)C1)C(=O)[O-] ZINC001609887574 1019588686 /nfs/dbraw/zinc/58/86/86/1019588686.db2.gz OAIXBSIJRPEAPA-VWYCJHECSA-N -1 0 300.355 -0.215 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)O[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001609893541 1019589048 /nfs/dbraw/zinc/58/90/48/1019589048.db2.gz WXAPLTCSWNPUFU-OPRDCNLKSA-N -1 0 314.338 -0.247 20 0 DBADRM C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC001609887569 1019589202 /nfs/dbraw/zinc/58/92/02/1019589202.db2.gz OAIXBSIJRPEAPA-GMTAPVOTSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1cnc(C(=O)[O-])cn1 ZINC001609903675 1019589904 /nfs/dbraw/zinc/58/99/04/1019589904.db2.gz IEQCFPLPUNVTPR-ZETCQYMHSA-N -1 0 301.324 -0.320 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@H]1COCCO1)C(=O)[O-] ZINC001609899361 1019590406 /nfs/dbraw/zinc/59/04/06/1019590406.db2.gz BTWZEVNEAYSFEP-IQJOONFLSA-N -1 0 303.311 -0.440 20 0 DBADRM CC[C@H](C)[C@H](C)NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001609899484 1019590651 /nfs/dbraw/zinc/59/06/51/1019590651.db2.gz LYKNLNFHAXSIPP-MMWGEVLESA-N -1 0 300.355 -0.169 20 0 DBADRM CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1 ZINC001609952992 1019591709 /nfs/dbraw/zinc/59/17/09/1019591709.db2.gz WTSJVDWYJUQSLS-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)C(=O)[O-] ZINC001609943359 1019591832 /nfs/dbraw/zinc/59/18/32/1019591832.db2.gz XZCWTJOPOFTRML-CYBMUJFWSA-N -1 0 310.262 -0.694 20 0 DBADRM CC[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CNC2=O)C(=O)[O-] ZINC001609929021 1019591932 /nfs/dbraw/zinc/59/19/32/1019591932.db2.gz RJOCGMUHRZEAKH-SECBINFHSA-N -1 0 305.290 -0.039 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(Cl)nc1)C(=O)[O-] ZINC001609943087 1019593342 /nfs/dbraw/zinc/59/33/42/1019593342.db2.gz GZOUYKDAQROBOX-LLVKDONJSA-N -1 0 301.686 -0.375 20 0 DBADRM CC[C@@H](O)CCCNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001609936293 1019593354 /nfs/dbraw/zinc/59/33/54/1019593354.db2.gz KREIQVFCKRAATH-MRVPVSSYSA-N -1 0 312.326 -0.276 20 0 DBADRM CCCN1C[C@@H](C(=O)N(CC(=O)[O-])CC(=O)OC)CC1=O ZINC001609979010 1019595495 /nfs/dbraw/zinc/59/54/95/1019595495.db2.gz WMFUOGCLDGGBGX-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM C[C@](O)(CNC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)[O-] ZINC001609955270 1019595609 /nfs/dbraw/zinc/59/56/09/1019595609.db2.gz FEBKNNCZSFZZGP-AWEZNQCLSA-N -1 0 305.290 -0.170 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1ccc2c(c1)C(=O)OC2)C(=O)[O-] ZINC001609972948 1019596267 /nfs/dbraw/zinc/59/62/67/1019596267.db2.gz SYLSGKXVJZWKIW-GFCCVEGCSA-N -1 0 315.303 -0.529 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001609965342 1019596314 /nfs/dbraw/zinc/59/63/14/1019596314.db2.gz VNNZXHBIWXPTQT-LPEHRKFASA-N -1 0 301.343 -0.350 20 0 DBADRM C[C@](O)(CNC(=O)Nc1cc(-n2cnnn2)ccc1F)C(=O)[O-] ZINC001609955295 1019596434 /nfs/dbraw/zinc/59/64/34/1019596434.db2.gz GSYLWJGALFYUME-LBPRGKRZSA-N -1 0 324.272 -0.242 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001609981671 1019597526 /nfs/dbraw/zinc/59/75/26/1019597526.db2.gz QLMYYNDXYDXSKS-LLVKDONJSA-N -1 0 320.411 -0.181 20 0 DBADRM CCN([C@@H]1CCNC1=O)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001609995465 1019598924 /nfs/dbraw/zinc/59/89/24/1019598924.db2.gz KDPPJVXCSGKQAW-SNVBAGLBSA-N -1 0 313.335 -0.321 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1 ZINC001609981680 1019599344 /nfs/dbraw/zinc/59/93/44/1019599344.db2.gz RDBCZIQBJDVYCB-SNVBAGLBSA-N -1 0 303.340 -0.513 20 0 DBADRM CCN1CCCN(Cn2nc(C(=O)[O-])cc2C(=O)OC)CC1=O ZINC001610006858 1019601233 /nfs/dbraw/zinc/60/12/33/1019601233.db2.gz HEPXLEYUTFPIEW-UHFFFAOYSA-N -1 0 324.337 -0.120 20 0 DBADRM CCOC(=O)C(C)(C)CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001610010459 1019601543 /nfs/dbraw/zinc/60/15/43/1019601543.db2.gz HHRNZTGYTGSFKQ-VIFPVBQESA-N -1 0 314.338 -0.233 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC1 ZINC001610006612 1019601566 /nfs/dbraw/zinc/60/15/66/1019601566.db2.gz AEKFZHNKJUPLMA-LBPRGKRZSA-N -1 0 323.393 -0.136 20 0 DBADRM CCNC(=O)C1CN(C(=O)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])C1 ZINC001610007880 1019602460 /nfs/dbraw/zinc/60/24/60/1019602460.db2.gz QKZCWOMKZHRSQK-UHFFFAOYSA-N -1 0 322.321 -0.446 20 0 DBADRM CCN1CCN(CC(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])C(=O)C1=O ZINC001610005670 1019602621 /nfs/dbraw/zinc/60/26/21/1019602621.db2.gz KRFMQVQDGXSKHS-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM CCOC(=O)C1(C(=O)NC[C@@](C)(O)C(=O)[O-])CCOCC1 ZINC001610013510 1019602946 /nfs/dbraw/zinc/60/29/46/1019602946.db2.gz AAMPZCYWIADUQZ-GFCCVEGCSA-N -1 0 303.311 -0.702 20 0 DBADRM CCO[C@@H]1C[C@H]1C(=O)O[C@@H]1COC[C@H]1n1cc(C(=O)[O-])nn1 ZINC001610028432 1019605289 /nfs/dbraw/zinc/60/52/89/1019605289.db2.gz GCASRNGQHMKBFG-QCNRFFRDSA-N -1 0 311.294 -0.116 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001610032094 1019605800 /nfs/dbraw/zinc/60/58/00/1019605800.db2.gz YILFHMMFDAJMMW-NXEZZACHSA-N -1 0 307.368 -0.241 20 0 DBADRM CCOC(=O)c1cc(CN2CCNC(=O)[C@H]2CC(=O)[O-])on1 ZINC001610020971 1019607056 /nfs/dbraw/zinc/60/70/56/1019607056.db2.gz AOJCOLGCGJCPEK-SNVBAGLBSA-N -1 0 311.294 -0.374 20 0 DBADRM C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)c1nnn[n-]1 ZINC001575491416 1019607982 /nfs/dbraw/zinc/60/79/82/1019607982.db2.gz HEMDQQMNOIMYMO-ZETCQYMHSA-N -1 0 315.297 -0.190 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC001610048368 1019608224 /nfs/dbraw/zinc/60/82/24/1019608224.db2.gz NZFHBIGKTRFDSF-QMMMGPOBSA-N -1 0 310.397 -0.656 20 0 DBADRM CCS(=O)(=O)CCN(C)CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001610048493 1019608426 /nfs/dbraw/zinc/60/84/26/1019608426.db2.gz AAYSHYKEZATZIA-NSHDSACASA-N -1 0 308.400 -0.422 20 0 DBADRM CC1=C(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CCCO1 ZINC001610053495 1019608567 /nfs/dbraw/zinc/60/85/67/1019608567.db2.gz ARPZXPGAWUAQKA-JTQLQIEISA-N -1 0 303.336 -0.219 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)NC1(C(=O)[O-])CCC1 ZINC001610037564 1019609340 /nfs/dbraw/zinc/60/93/40/1019609340.db2.gz YMSBANJBEYKFPC-UHFFFAOYSA-N -1 0 308.356 -0.934 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](CF)C(=O)[O-])C1 ZINC001610047844 1019609371 /nfs/dbraw/zinc/60/93/71/1019609371.db2.gz ARWUQVTZWMTLPS-DTWKUNHWSA-N -1 0 310.347 -0.413 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)OC ZINC001610085455 1019610562 /nfs/dbraw/zinc/61/05/62/1019610562.db2.gz DBEAQYJPUDNWEP-ZETCQYMHSA-N -1 0 305.312 -0.802 20 0 DBADRM CCn1nc(C)c(C(=O)NCC(=O)NCC(=O)[O-])c1Cl ZINC001610083854 1019610762 /nfs/dbraw/zinc/61/07/62/1019610762.db2.gz XHGBWETZXLDMLZ-UHFFFAOYSA-N -1 0 302.718 -0.205 20 0 DBADRM CCn1nc(C(=O)N2CC[C@@H](OC)C[C@H]2C(=O)[O-])ccc1=O ZINC001610083751 1019610961 /nfs/dbraw/zinc/61/09/61/1019610961.db2.gz POOJZJCGKOTVCF-KOLCDFICSA-N -1 0 309.322 -0.033 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001610082573 1019611059 /nfs/dbraw/zinc/61/10/59/1019611059.db2.gz PDKNDWQTZRKEKD-NXEZZACHSA-N -1 0 310.310 -0.722 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001610068819 1019611397 /nfs/dbraw/zinc/61/13/97/1019611397.db2.gz ZJYBPGYTLUWKTJ-MFNRYDQQSA-N -1 0 316.379 -0.713 20 0 DBADRM CCn1ccc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)n1 ZINC001610082938 1019611452 /nfs/dbraw/zinc/61/14/52/1019611452.db2.gz PRRUQWFVIREFOC-UHFFFAOYSA-N -1 0 315.351 -0.335 20 0 DBADRM CN(C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)[C@H]1CCCOC1 ZINC001610087306 1019613374 /nfs/dbraw/zinc/61/33/74/1019613374.db2.gz GXCGRWPDDSPMJH-QMMMGPOBSA-N -1 0 310.310 -0.306 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001610093277 1019614602 /nfs/dbraw/zinc/61/46/02/1019614602.db2.gz DQAKRJGAMFJNLQ-UHFFFAOYSA-N -1 0 322.365 -0.005 20 0 DBADRM CN(C(C)(C)CC(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC001610096890 1019614646 /nfs/dbraw/zinc/61/46/46/1019614646.db2.gz ISJLHDIZHYFAOX-UHFFFAOYSA-N -1 0 317.367 -0.002 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CC2)cn1 ZINC001610101550 1019617241 /nfs/dbraw/zinc/61/72/41/1019617241.db2.gz JDWCCZPILUNSST-UHFFFAOYSA-N -1 0 313.335 -0.321 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)c1cncc(C(=O)[O-])c1 ZINC001610111045 1019617281 /nfs/dbraw/zinc/61/72/81/1019617281.db2.gz ODONSYBKHYFLJS-CYBMUJFWSA-N -1 0 323.349 -0.455 20 0 DBADRM C[C@H]1c2nncn2CCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001610109732 1019617317 /nfs/dbraw/zinc/61/73/17/1019617317.db2.gz UVYNSIWMIBUOKG-LKFCYVNXSA-N -1 0 321.337 -0.496 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCc2n[nH]c(=O)cc2C1 ZINC001610114210 1019620500 /nfs/dbraw/zinc/62/05/00/1019620500.db2.gz IGJQCGQGVMQTBI-UHFFFAOYSA-N -1 0 316.339 -0.808 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC001610111926 1019620560 /nfs/dbraw/zinc/62/05/60/1019620560.db2.gz XKSKQJGTMMOXQE-UHFFFAOYSA-N -1 0 315.232 -0.455 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC001610114206 1019620772 /nfs/dbraw/zinc/62/07/72/1019620772.db2.gz IASSKARRILCJET-JQWIXIFHSA-N -1 0 322.383 -0.435 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1=O ZINC001610132469 1019622824 /nfs/dbraw/zinc/62/28/24/1019622824.db2.gz GAKIVYKNGVPJGV-NXEZZACHSA-N -1 0 323.349 -0.953 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)CC2(C(=O)[O-])CCCC2)C1=O ZINC001610133901 1019623222 /nfs/dbraw/zinc/62/32/22/1019623222.db2.gz MVJFVVHJVABUIA-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)Nc2ccn(CC(=O)[O-])n2)C1=O ZINC001610127667 1019623403 /nfs/dbraw/zinc/62/34/03/1019623403.db2.gz OGKBVXFENBIBKK-ZETCQYMHSA-N -1 0 309.282 -0.763 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)c2csnc2C(=O)[O-])CCC1=O ZINC001610133821 1019624521 /nfs/dbraw/zinc/62/45/21/1019624521.db2.gz LLBMWRNHUTWOKY-LURJTMIESA-N -1 0 319.364 -0.260 20 0 DBADRM CN1C(=O)COc2cc(NC(=O)C(=O)NCCC(=O)[O-])ccc21 ZINC001610128645 1019624747 /nfs/dbraw/zinc/62/47/47/1019624747.db2.gz YZRRRIGEKJLSGZ-UHFFFAOYSA-N -1 0 321.289 -0.429 20 0 DBADRM CN1CC[C@H](C(=O)OCc2noc(CCCC(=O)[O-])n2)C1=O ZINC001610129694 1019625075 /nfs/dbraw/zinc/62/50/75/1019625075.db2.gz RECSQEAZNQMJEE-QMMMGPOBSA-N -1 0 311.294 -0.002 20 0 DBADRM CN1CCN([C@H](C(=O)N[C@@H](CO)C(=O)[O-])c2ccccc2)CC1 ZINC001610136321 1019625893 /nfs/dbraw/zinc/62/58/93/1019625893.db2.gz FGXAZKGTDUNGKG-KBPBESRZSA-N -1 0 321.377 -0.463 20 0 DBADRM CNC(=O)[C@H]1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CCO1 ZINC001610138268 1019626381 /nfs/dbraw/zinc/62/63/81/1019626381.db2.gz CCVHCTKUMRVDKX-SECBINFHSA-N -1 0 320.367 -0.982 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1=O ZINC001610135091 1019627726 /nfs/dbraw/zinc/62/77/26/1019627726.db2.gz WDYZBSAGCWFOEQ-LPEHRKFASA-N -1 0 304.368 -0.220 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001610134861 1019628516 /nfs/dbraw/zinc/62/85/16/1019628516.db2.gz TUVFLKHDNICUOA-UHFFFAOYSA-N -1 0 308.338 -0.393 20 0 DBADRM CNC(=O)CCCC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610139260 1019628933 /nfs/dbraw/zinc/62/89/33/1019628933.db2.gz NKNJLAUOSKNLEN-SECBINFHSA-N -1 0 309.326 -0.334 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)c2ccoc2CC(=O)[O-])CC1 ZINC001610140445 1019630097 /nfs/dbraw/zinc/63/00/97/1019630097.db2.gz OFJHKEUKNIUPFI-UHFFFAOYSA-N -1 0 323.349 -0.153 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCCCC(=O)[O-] ZINC001610141741 1019630384 /nfs/dbraw/zinc/63/03/84/1019630384.db2.gz DUSLQPDLYQJDSY-ZJUUUORDSA-N -1 0 313.354 -0.612 20 0 DBADRM CNC(=O)C1(C(=O)OCC(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001610143757 1019630672 /nfs/dbraw/zinc/63/06/72/1019630672.db2.gz VODZMGNQZUAJLB-UHFFFAOYSA-N -1 0 321.289 -0.212 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001610139667 1019630808 /nfs/dbraw/zinc/63/08/08/1019630808.db2.gz VCAMMTOFZVRJCZ-IUCAKERBSA-N -1 0 303.384 -0.030 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001610140370 1019631284 /nfs/dbraw/zinc/63/12/84/1019631284.db2.gz KTKMBPILCIVVNY-UHFFFAOYSA-N -1 0 310.310 -0.744 20 0 DBADRM CNS(=O)(=O)CCNC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001610147386 1019632918 /nfs/dbraw/zinc/63/29/18/1019632918.db2.gz QMYGVSDLYMMHGD-UHFFFAOYSA-N -1 0 316.339 -0.621 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1nnc2ccccc2n1 ZINC001610150955 1019634355 /nfs/dbraw/zinc/63/43/55/1019634355.db2.gz LOUMDDOOAPWNNI-SECBINFHSA-N -1 0 304.262 -0.229 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC001610154404 1019635859 /nfs/dbraw/zinc/63/58/59/1019635859.db2.gz YQSLIAVWJKEYRM-HLTSFMKQSA-N -1 0 300.311 -0.589 20 0 DBADRM COC(=O)[C@@]1(NCC(=O)N[C@H](CC(C)C)C(=O)[O-])CCOC1 ZINC001610155866 1019635909 /nfs/dbraw/zinc/63/59/09/1019635909.db2.gz BXOQAFOEXGRGRG-QMTHXVAHSA-N -1 0 316.354 -0.476 20 0 DBADRM COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001610156818 1019636125 /nfs/dbraw/zinc/63/61/25/1019636125.db2.gz UUCGSIJZCONHBM-QMMMGPOBSA-N -1 0 321.307 -0.431 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccnc2c1nnn2C ZINC001610153621 1019636331 /nfs/dbraw/zinc/63/63/31/1019636331.db2.gz SSMYATJTZJQQEJ-ZETCQYMHSA-N -1 0 307.266 -0.891 20 0 DBADRM COC(=O)C1(NC(=O)CCNC(N)=O)CCC(C(=O)[O-])CC1 ZINC001610153482 1019637292 /nfs/dbraw/zinc/63/72/92/1019637292.db2.gz CALJPOHXZICJEE-UHFFFAOYSA-N -1 0 315.326 -0.652 20 0 DBADRM COC(=O)C1(C(=O)NCCN(C)C(=O)C2(C(=O)[O-])CC2)CC1 ZINC001610159111 1019637346 /nfs/dbraw/zinc/63/73/46/1019637346.db2.gz OBWSQKLIWDIZJN-UHFFFAOYSA-N -1 0 312.322 -0.621 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@H](C(=O)[O-])C1 ZINC001610168366 1019638497 /nfs/dbraw/zinc/63/84/97/1019638497.db2.gz HLGXYKHIKBSULR-QWRGUYRKSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cnc(OC)nc2)[C@@H](C(=O)[O-])C1 ZINC001610164523 1019638720 /nfs/dbraw/zinc/63/87/20/1019638720.db2.gz AJRCYZZBYGGIDT-PSASIEDQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CC2OCCO2)[C@@H](C(=O)[O-])C1 ZINC001610174743 1019639081 /nfs/dbraw/zinc/63/90/81/1019639081.db2.gz ZKZASXFXGSRTDV-DTWKUNHWSA-N -1 0 301.295 -0.386 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc[n+]([O-])cc1 ZINC001610174570 1019639597 /nfs/dbraw/zinc/63/95/97/1019639597.db2.gz OQACZVWFMNJDEX-MNOVXSKESA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cc(Cn2cccn2)on1)C(=O)[O-] ZINC001610176708 1019641023 /nfs/dbraw/zinc/64/10/23/1019641023.db2.gz AWNRDSBKBGAIEE-JTQLQIEISA-N -1 0 322.277 -0.335 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H]1CCCC12OCCO2)C(=O)[O-] ZINC001610181260 1019641705 /nfs/dbraw/zinc/64/17/05/1019641705.db2.gz RTIQNLXDZRFSIL-BDAKNGLRSA-N -1 0 301.295 -0.338 20 0 DBADRM COC(=O)C[C@@H]1COCCN1CN1C[C@@H](C(=O)[O-])OC1=O ZINC001610181358 1019641880 /nfs/dbraw/zinc/64/18/80/1019641880.db2.gz UQXPZEZROMBUPI-BDAKNGLRSA-N -1 0 302.283 -0.887 20 0 DBADRM COC(=O)[C@H]1CSCCN(CC(=O)NCCC(=O)[O-])C1 ZINC001610176276 1019642084 /nfs/dbraw/zinc/64/20/84/1019642084.db2.gz BIMZRRHJKJNARE-SECBINFHSA-N -1 0 304.368 -0.585 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cc(OC(F)F)n(C)n1)C(=O)[O-] ZINC001610178070 1019642699 /nfs/dbraw/zinc/64/26/99/1019642699.db2.gz LFPLLQKEQKCXAG-LURJTMIESA-N -1 0 321.236 -0.232 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc2nnn(C)c2c1 ZINC001610184924 1019644112 /nfs/dbraw/zinc/64/41/12/1019644112.db2.gz IYBSRJJRACZPGD-UHFFFAOYSA-N -1 0 306.278 -0.332 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC001610183306 1019644259 /nfs/dbraw/zinc/64/42/59/1019644259.db2.gz OBMZDPWSSIIBMY-UWVGGRQHSA-N -1 0 323.367 -0.167 20 0 DBADRM COC(=O)CCCCNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001610184526 1019644479 /nfs/dbraw/zinc/64/44/79/1019644479.db2.gz RTPTUOAWDBLVAL-NXEZZACHSA-N -1 0 314.338 -0.375 20 0 DBADRM COC(=O)CN(CC(C)C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001610183687 1019644489 /nfs/dbraw/zinc/64/44/89/1019644489.db2.gz AXOSBEXUBXJKMD-UHFFFAOYSA-N -1 0 310.372 -0.231 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC001610183305 1019644804 /nfs/dbraw/zinc/64/48/04/1019644804.db2.gz OBMZDPWSSIIBMY-NXEZZACHSA-N -1 0 323.367 -0.167 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1ccc(C(N)=O)cn1)C(=O)[O-] ZINC001610182611 1019644937 /nfs/dbraw/zinc/64/49/37/1019644937.db2.gz JIVOTHGPPTUBSZ-SECBINFHSA-N -1 0 309.278 -0.683 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001610184727 1019644964 /nfs/dbraw/zinc/64/49/64/1019644964.db2.gz BAWCAJHUETVAFL-KYZUINATSA-N -1 0 301.295 -0.290 20 0 DBADRM COC(=O)CCCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001610184010 1019646044 /nfs/dbraw/zinc/64/60/44/1019646044.db2.gz HJWFIHHXOIGFGB-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001610192153 1019647022 /nfs/dbraw/zinc/64/70/22/1019647022.db2.gz CYCAOZPFMZRMMI-CIUDSAMLSA-N -1 0 309.340 -0.917 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001610192154 1019647525 /nfs/dbraw/zinc/64/75/25/1019647525.db2.gz CYCAOZPFMZRMMI-HRDYMLBCSA-N -1 0 309.340 -0.917 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001610191189 1019648276 /nfs/dbraw/zinc/64/82/76/1019648276.db2.gz OBWFNVWQUWXEST-NXEZZACHSA-N -1 0 309.322 -0.032 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cn(C)nc1C ZINC001610192640 1019648346 /nfs/dbraw/zinc/64/83/46/1019648346.db2.gz OCFPWAFEGGPVNF-MRVPVSSYSA-N -1 0 319.339 -0.587 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)N1CCC(C)CC1 ZINC001610192113 1019648516 /nfs/dbraw/zinc/64/85/16/1019648516.db2.gz BLQAOYTVQMZUPM-SNVBAGLBSA-N -1 0 322.383 -0.041 20 0 DBADRM COC(=O)[C@@H]1CN(CN2CCOC[C@@H]2CC(=O)[O-])C(=O)O1 ZINC001610192210 1019648542 /nfs/dbraw/zinc/64/85/42/1019648542.db2.gz FAWJZTABMSVUGX-IUCAKERBSA-N -1 0 302.283 -0.887 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCc2nncn2C1 ZINC001610191720 1019648753 /nfs/dbraw/zinc/64/87/53/1019648753.db2.gz VSADCIFQVXAFNI-RKDXNWHRSA-N -1 0 310.310 -0.637 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001610190209 1019648801 /nfs/dbraw/zinc/64/88/01/1019648801.db2.gz JQCFBAZIXQGMTL-DJLDLDEBSA-N -1 0 316.310 -0.404 20 0 DBADRM COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC001610222208 1019650191 /nfs/dbraw/zinc/65/01/91/1019650191.db2.gz WCMRQGNOPMOBLG-LURJTMIESA-N -1 0 323.348 -0.433 20 0 DBADRM COC(CN(CCCO)C(=O)c1cnc(C(=O)[O-])cn1)OC ZINC001610224353 1019650573 /nfs/dbraw/zinc/65/05/73/1019650573.db2.gz NYEIJSGXQJIUMY-UHFFFAOYSA-N -1 0 313.310 -0.382 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)nc1 ZINC001610206879 1019650590 /nfs/dbraw/zinc/65/05/90/1019650590.db2.gz LCNWXVNAYNYAEV-SECBINFHSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)c1cnn(Cc2noc(CCC(=O)[O-])n2)c(=O)c1 ZINC001610219318 1019650796 /nfs/dbraw/zinc/65/07/96/1019650796.db2.gz VOQCKUDAAFNYAG-UHFFFAOYSA-N -1 0 308.250 -0.522 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCC[N@H+](C)CC(=O)[O-])c[n-]1 ZINC001610206817 1019650831 /nfs/dbraw/zinc/65/08/31/1019650831.db2.gz WUSQKTRGKVIJGY-UHFFFAOYSA-N -1 0 319.339 -0.904 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC001610225131 1019652518 /nfs/dbraw/zinc/65/25/18/1019652518.db2.gz PUDRJKZSSVQXEI-UHFFFAOYSA-N -1 0 301.324 -0.334 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@@H]1NC(=O)O[C@H]1C)OC ZINC001610229393 1019653988 /nfs/dbraw/zinc/65/39/88/1019653988.db2.gz JEFMAWZYTZOLIJ-OIBJUYFYSA-N -1 0 304.299 -0.595 20 0 DBADRM CO[C@H](C)CS(=O)(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001610225224 1019654077 /nfs/dbraw/zinc/65/40/77/1019654077.db2.gz LPFIFRAKWZTBEO-GHMZBOCLSA-N -1 0 308.400 -0.168 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)c2ccn(C)n2)[C@@H](C(=O)[O-])C1 ZINC001610240525 1019654343 /nfs/dbraw/zinc/65/43/43/1019654343.db2.gz SPZVCSJPLBHDAR-DTWKUNHWSA-N -1 0 303.340 -0.327 20 0 DBADRM COCC(COC)NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001610244581 1019655272 /nfs/dbraw/zinc/65/52/72/1019655272.db2.gz FIMWQIGVUQILAE-IINYFYTJSA-N -1 0 316.354 -0.220 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)[C@H](C)C(=O)N(C)C ZINC001610243524 1019655588 /nfs/dbraw/zinc/65/55/88/1019655588.db2.gz NZGSAHMZZMIKQF-KCJUWKMLSA-N -1 0 310.372 -0.738 20 0 DBADRM COC[C@@H](NC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O)C(=O)[O-] ZINC001610246336 1019656190 /nfs/dbraw/zinc/65/61/90/1019656190.db2.gz ZGGYKABJYGCFSJ-YGRLFVJLSA-N -1 0 312.322 -0.876 20 0 DBADRM COC[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)[O-] ZINC001610245783 1019656286 /nfs/dbraw/zinc/65/62/86/1019656286.db2.gz HJYRQSBGEUSLRP-LLVKDONJSA-N -1 0 320.305 -0.603 20 0 DBADRM COC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001610246024 1019656616 /nfs/dbraw/zinc/65/66/16/1019656616.db2.gz XQLLXTRPZHDOOQ-MRVPVSSYSA-N -1 0 314.269 -0.414 20 0 DBADRM COC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC001610248930 1019658688 /nfs/dbraw/zinc/65/86/88/1019658688.db2.gz MMIFERBZQQRFPA-SNVBAGLBSA-N -1 0 306.274 -0.258 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CCOC[C@@H]2CC(=O)[O-])C1=O ZINC001610251454 1019658781 /nfs/dbraw/zinc/65/87/81/1019658781.db2.gz ZFFRKHZPGVVJNH-TVQRCGJNSA-N -1 0 315.326 -0.924 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)C(N)=O ZINC001610250408 1019658810 /nfs/dbraw/zinc/65/88/10/1019658810.db2.gz JMGNZNNUWSPZBG-SNVBAGLBSA-N -1 0 316.335 -0.528 20 0 DBADRM COC[C@H](NC(=O)c1cc2c(ncnc2N(C)C)n1C)C(=O)[O-] ZINC001610249035 1019659792 /nfs/dbraw/zinc/65/97/92/1019659792.db2.gz BXCLQOYZVKDHAL-VIFPVBQESA-N -1 0 321.337 -0.136 20 0 DBADRM COC[C@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001610249132 1019659819 /nfs/dbraw/zinc/65/98/19/1019659819.db2.gz OVGPRFJDYCKBDJ-VIFPVBQESA-N -1 0 309.340 -0.699 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCN(CC(=O)NCCC(=O)[O-])C1 ZINC001610372668 1019673017 /nfs/dbraw/zinc/67/30/17/1019673017.db2.gz SNXAPALZVDZOIK-SNVBAGLBSA-N -1 0 306.384 -0.666 20 0 DBADRM COCCN(C)CCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001610258375 1019661208 /nfs/dbraw/zinc/66/12/08/1019661208.db2.gz OWLKYUVOZHYMIQ-UHFFFAOYSA-N -1 0 317.367 -0.364 20 0 DBADRM COCC[C@@H](NC(=O)[C@](C)(O)Cn1ccccc1=O)C(=O)[O-] ZINC001610253845 1019661238 /nfs/dbraw/zinc/66/12/38/1019661238.db2.gz BSOSPGZINLQXCU-QMTHXVAHSA-N -1 0 312.322 -0.795 20 0 DBADRM COCCCCNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001610256199 1019661383 /nfs/dbraw/zinc/66/13/83/1019661383.db2.gz MIHKTVDFBCGYFL-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)CCO1 ZINC001610253498 1019661668 /nfs/dbraw/zinc/66/16/68/1019661668.db2.gz DRLFOYRELFPMTI-DCAQKATOSA-N -1 0 314.338 -0.818 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OC ZINC001610253803 1019661874 /nfs/dbraw/zinc/66/18/74/1019661874.db2.gz OPHNOOLRAAXILT-SSDOTTSWSA-N -1 0 321.307 -0.166 20 0 DBADRM COCC[C@@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC001610254082 1019662686 /nfs/dbraw/zinc/66/26/86/1019662686.db2.gz UUWFWHMOFFHTGT-MRVPVSSYSA-N -1 0 309.278 -0.368 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3ccncn3)CC2)c1[O-] ZINC001506014370 1019663418 /nfs/dbraw/zinc/66/34/18/1019663418.db2.gz ZIGKWFXCUKJJKP-UHFFFAOYSA-N -1 0 316.321 -0.094 20 0 DBADRM COCCOCC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001610264416 1019663835 /nfs/dbraw/zinc/66/38/35/1019663835.db2.gz WEDWCGYHFGSVAE-ZJUUUORDSA-N -1 0 303.311 -0.486 20 0 DBADRM COCCn1cc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])c(C)n1 ZINC001610268223 1019664074 /nfs/dbraw/zinc/66/40/74/1019664074.db2.gz SESOINMBFDNXFW-VIFPVBQESA-N -1 0 313.310 -0.416 20 0 DBADRM COCCn1cc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])ccc1=O ZINC001610266131 1019664621 /nfs/dbraw/zinc/66/46/21/1019664621.db2.gz YKWIFOJZOZZSJS-WCQYABFASA-N -1 0 324.333 -0.455 20 0 DBADRM COCCNC(=O)c1ccc(N2C[C@H](O)C[C@H](C(=O)[O-])C2)nc1 ZINC001610261768 1019664736 /nfs/dbraw/zinc/66/47/36/1019664736.db2.gz OGPGMIMMBSYAEY-NWDGAFQWSA-N -1 0 323.349 -0.270 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)[C@H]3COCCO3)CC2)c1[O-] ZINC001506013536 1019664849 /nfs/dbraw/zinc/66/48/49/1019664849.db2.gz BZNQQYPKPWKQLS-SECBINFHSA-N -1 0 324.337 -0.782 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001610267805 1019665196 /nfs/dbraw/zinc/66/51/96/1019665196.db2.gz DICAUNVJQMTUIW-ZCFIWIBFSA-N -1 0 324.742 -0.281 20 0 DBADRM COC[C@H](O)CNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC001610268217 1019665263 /nfs/dbraw/zinc/66/52/63/1019665263.db2.gz HXZMXNPUMYPLGE-SECBINFHSA-N -1 0 312.322 -0.110 20 0 DBADRM CCN(C(=O)[C@H]1CC(C(=O)[O-])=NO1)[C@H](C)CS(=O)(=O)CC ZINC001610271076 1019667132 /nfs/dbraw/zinc/66/71/32/1019667132.db2.gz VXIVTYYSMSMOQD-PSASIEDQSA-N -1 0 320.367 -0.112 20 0 DBADRM COCn1nccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001610275870 1019668259 /nfs/dbraw/zinc/66/82/59/1019668259.db2.gz XBJXQIGWCZDMBA-IUCAKERBSA-N -1 0 303.340 -0.029 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001610271056 1019668009 /nfs/dbraw/zinc/66/80/09/1019668009.db2.gz RYNAFVYSUTWEGF-UHFFFAOYSA-N -1 0 321.333 -0.405 20 0 DBADRM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCNC(=O)C1 ZINC001610285874 1019668109 /nfs/dbraw/zinc/66/81/09/1019668109.db2.gz GYCGXKQWAJEGLD-NSHDSACASA-N -1 0 324.333 -0.435 20 0 DBADRM CCN(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)[C@@H](C)CS(=O)(=O)CC ZINC001610271079 1019668706 /nfs/dbraw/zinc/66/87/06/1019668706.db2.gz VXIVTYYSMSMOQD-WPRPVWTQSA-N -1 0 320.367 -0.112 20 0 DBADRM CCOCCN1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])CC1 ZINC001610351881 1019669653 /nfs/dbraw/zinc/66/96/53/1019669653.db2.gz BSDWDDKPCBZWOD-UHFFFAOYSA-N -1 0 315.370 -0.900 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cn1 ZINC001610339887 1019670226 /nfs/dbraw/zinc/67/02/26/1019670226.db2.gz CQRBHJWFKOPWBN-KOLCDFICSA-N -1 0 323.305 -0.535 20 0 DBADRM C[C@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)N(C)CCF ZINC001506024373 1019670679 /nfs/dbraw/zinc/67/06/79/1019670679.db2.gz RLILEPLRBFVQOC-SECBINFHSA-N -1 0 310.333 -0.523 20 0 DBADRM COc1cc(S(=O)(=O)NC2(C(N)=O)CC2)ccc1C(=O)[O-] ZINC001610307533 1019670376 /nfs/dbraw/zinc/67/03/76/1019670376.db2.gz RPHVXKGYJYUZSL-UHFFFAOYSA-N -1 0 314.319 -0.310 20 0 DBADRM COc1ccccc1CCNC(=O)CN1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001610365093 1019670638 /nfs/dbraw/zinc/67/06/38/1019670638.db2.gz FYJRNCQJHPKPCK-CHWSQXEVSA-N -1 0 322.361 -0.126 20 0 DBADRM COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[C@@](O)(C(N)=O)C2)c1 ZINC001610307632 1019671628 /nfs/dbraw/zinc/67/16/28/1019671628.db2.gz UNICUEUIRNWZJH-DOMZBBRYSA-N -1 0 324.333 -0.248 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N[C@H]2CCOC2)cc1C(=O)[O-] ZINC001610333126 1019671663 /nfs/dbraw/zinc/67/16/63/1019671663.db2.gz KVGZRUNKSNDJLL-JTQLQIEISA-N -1 0 322.317 -0.085 20 0 DBADRM COc1ccc(CN2CCO[C@H](C(=O)[O-])C2)cc1OCC(N)=O ZINC001610332399 1019671988 /nfs/dbraw/zinc/67/19/88/1019671988.db2.gz HJBNCMCMLIXANK-ZDUSSCGKSA-N -1 0 324.333 -0.155 20 0 DBADRM CS(=O)(=O)C1(C(=O)OCCCC(=O)C(=O)[O-])CCOCC1 ZINC001610373411 1019673231 /nfs/dbraw/zinc/67/32/31/1019673231.db2.gz UYCAXQVXQISVQN-UHFFFAOYSA-N -1 0 322.335 -0.443 20 0 DBADRM CS(=O)(=O)Cc1noc(CN[C@@H]2CCC[C@H]2C(=O)[O-])n1 ZINC001610375341 1019674098 /nfs/dbraw/zinc/67/40/98/1019674098.db2.gz ILCVXJOOVMZTOM-HTQZYQBOSA-N -1 0 303.340 -0.043 20 0 DBADRM CS(=O)(=O)CCC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610371854 1019674619 /nfs/dbraw/zinc/67/46/19/1019674619.db2.gz CAFPQGATSNHJCR-QMMMGPOBSA-N -1 0 316.339 -0.816 20 0 DBADRM COc1ncc(COC(=O)Cn2cc(C(=O)[O-])nn2)c(C)n1 ZINC001610371250 1019674789 /nfs/dbraw/zinc/67/47/89/1019674789.db2.gz SFGNVYDGKQVPPD-UHFFFAOYSA-N -1 0 307.266 -0.173 20 0 DBADRM CSc1nc(C)c(CCC(=O)N[C@@H](CO)C(=O)[O-])c(=O)[nH]1 ZINC001610389798 1019675785 /nfs/dbraw/zinc/67/57/85/1019675785.db2.gz YOVLFYQQNBTENV-QMMMGPOBSA-N -1 0 315.351 -0.293 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCCn2cccn2)C[C@H]1C(=O)[O-] ZINC001610392570 1019676654 /nfs/dbraw/zinc/67/66/54/1019676654.db2.gz GKXLVDPMFWYZFC-GHMZBOCLSA-N -1 0 308.338 -0.432 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1sccc1C(=O)[O-])C(=O)N(C)C ZINC001610394235 1019677057 /nfs/dbraw/zinc/67/70/57/1019677057.db2.gz IULSDTHMZBJZLE-LURJTMIESA-N -1 0 313.335 -0.022 20 0 DBADRM CCOc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001610383217 1019677427 /nfs/dbraw/zinc/67/74/27/1019677427.db2.gz JFOQLCMALPSLCN-CQSZACIVSA-N -1 0 310.306 -0.024 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001610404330 1019678795 /nfs/dbraw/zinc/67/87/95/1019678795.db2.gz AGACYOZZGREZHZ-JOYOIKCWSA-N -1 0 315.351 -0.170 20 0 DBADRM Cc1c(NC(=O)C(=O)N(C)Cc2ccon2)cnn1CC(=O)[O-] ZINC001610418935 1019678925 /nfs/dbraw/zinc/67/89/25/1019678925.db2.gz ZSMGYMBLJSBOPY-UHFFFAOYSA-N -1 0 321.293 -0.139 20 0 DBADRM Cc1[nH]c(C(=O)N(C)CCNS(C)(=O)=O)c(C)c1C(=O)[O-] ZINC001610398651 1019679229 /nfs/dbraw/zinc/67/92/29/1019679229.db2.gz HEOQJDNLPMQJFJ-UHFFFAOYSA-N -1 0 317.367 -0.049 20 0 DBADRM Cc1c(NC(=O)C(=O)N(C)C[C@@H]2CCCO2)cnn1CC(=O)[O-] ZINC001610418648 1019680348 /nfs/dbraw/zinc/68/03/48/1019680348.db2.gz XSUPTCVGHGTUCY-JTQLQIEISA-N -1 0 324.337 -0.148 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCC(C)(C)O)cnn1CC(=O)[O-] ZINC001610420441 1019680743 /nfs/dbraw/zinc/68/07/43/1019680743.db2.gz JXXGQMPIYCNPHX-UHFFFAOYSA-N -1 0 312.326 -0.508 20 0 DBADRM CCn1cc(CC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cn1 ZINC001610462993 1019682071 /nfs/dbraw/zinc/68/20/71/1019682071.db2.gz LYWMYICNUPMDRP-JTQLQIEISA-N -1 0 310.354 -0.117 20 0 DBADRM CCc1cnc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])s1 ZINC001610438010 1019682646 /nfs/dbraw/zinc/68/26/46/1019682646.db2.gz QOWKVASCUYZFKG-NSHDSACASA-N -1 0 301.324 -0.404 20 0 DBADRM Cc1cc(S(N)(=O)=O)sc1C(=O)O[C@H](C)C(=O)C(=O)[O-] ZINC001610478410 1019682714 /nfs/dbraw/zinc/68/27/14/1019682714.db2.gz IIQDZPFGXIUJJF-RXMQYKEDSA-N -1 0 321.332 -0.097 20 0 DBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NCCCO ZINC001610477222 1019682946 /nfs/dbraw/zinc/68/29/46/1019682946.db2.gz LFTODTIHVANQGX-UHFFFAOYSA-N -1 0 310.306 -0.104 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c(=O)[nH]1 ZINC001610503737 1019684764 /nfs/dbraw/zinc/68/47/64/1019684764.db2.gz CZBJXIAQBHGFQE-BDAKNGLRSA-N -1 0 323.305 -0.672 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H](C)c2nncn2C)c1C(=O)[O-] ZINC001610549516 1019685799 /nfs/dbraw/zinc/68/57/99/1019685799.db2.gz FAWOWOSTRPKJHX-LURJTMIESA-N -1 0 314.327 -0.416 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001610568222 1019687906 /nfs/dbraw/zinc/68/79/06/1019687906.db2.gz DUBWYCCTTQOMHY-AWEZNQCLSA-N -1 0 309.322 -0.030 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001610568231 1019688232 /nfs/dbraw/zinc/68/82/32/1019688232.db2.gz DUBWYCCTTQOMHY-CQSZACIVSA-N -1 0 309.322 -0.030 20 0 DBADRM Cc1nc(Cn2nnc(C(=O)N[C@H](C(=O)[O-])C3CC3)c2C)no1 ZINC001610556964 1019688497 /nfs/dbraw/zinc/68/84/97/1019688497.db2.gz KNOIKMMTASTOGX-NSHDSACASA-N -1 0 320.309 -0.081 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001610565243 1019688874 /nfs/dbraw/zinc/68/88/74/1019688874.db2.gz KYTFJDRJDKEDHL-ONGXEEELSA-N -1 0 308.338 -0.371 20 0 DBADRM Cc1nc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)nn1-c1nc[nH]n1 ZINC001610551623 1019688903 /nfs/dbraw/zinc/68/89/03/1019688903.db2.gz NCGJMOLSWLIVCI-LBPRGKRZSA-N -1 0 305.298 -0.323 20 0 DBADRM Cc1nc([C@@H]2COCCN2C(=O)Cn2cc(C(=O)[O-])nn2)no1 ZINC001610554578 1019688944 /nfs/dbraw/zinc/68/89/44/1019688944.db2.gz HPMGERMOCWHNJQ-VIFPVBQESA-N -1 0 322.281 -0.732 20 0 DBADRM Cc1n[nH]c(C)c1CCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001610550919 1019689037 /nfs/dbraw/zinc/68/90/37/1019689037.db2.gz NIRALQBXZVPTGK-NSHDSACASA-N -1 0 308.338 -0.239 20 0 DBADRM Cc1nccc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)n1 ZINC001610566486 1019690187 /nfs/dbraw/zinc/69/01/87/1019690187.db2.gz JEJNVCSUFKHUKP-BDAKNGLRSA-N -1 0 308.294 -0.982 20 0 DBADRM Cc1nn(CC(=O)NCC(=O)NCC(=O)[O-])c(C)c1Cl ZINC001610571689 1019691587 /nfs/dbraw/zinc/69/15/87/1019691587.db2.gz RPVBIBNNWNAPMU-UHFFFAOYSA-N -1 0 302.718 -0.530 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N2CC[C@@H](CO)C2)cc1C(=O)[O-] ZINC001610583638 1019691706 /nfs/dbraw/zinc/69/17/06/1019691706.db2.gz OYRPFDCGIODHEO-SECBINFHSA-N -1 0 310.306 -0.257 20 0 DBADRM Cc1nnsc1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001610574532 1019692079 /nfs/dbraw/zinc/69/20/79/1019692079.db2.gz QUWCQIMCXNAHTA-UHFFFAOYSA-N -1 0 314.367 -0.294 20 0 DBADRM Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001610569610 1019692584 /nfs/dbraw/zinc/69/25/84/1019692584.db2.gz KQFACTVXQYUXNA-KCJUWKMLSA-N -1 0 324.337 -0.782 20 0 DBADRM Cc1nnc(CNC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)n1C ZINC001610571873 1019692957 /nfs/dbraw/zinc/69/29/57/1019692957.db2.gz RMBYJIXQWATINM-LLVKDONJSA-N -1 0 311.342 -0.509 20 0 DBADRM Cc1noc(C)c1NC(=O)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001610576074 1019692998 /nfs/dbraw/zinc/69/29/98/1019692998.db2.gz WPXDUYGPNMYJIV-PSASIEDQSA-N -1 0 311.294 -0.334 20 0 DBADRM Cc1nnc(CNS(=O)(=O)c2cncc(C(=O)[O-])c2)n1C ZINC001610571373 1019693185 /nfs/dbraw/zinc/69/31/85/1019693185.db2.gz ALKYBCRCMQFZJY-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM Cc1occc1CNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001610588311 1019694913 /nfs/dbraw/zinc/69/49/13/1019694913.db2.gz CBJRCHROUHKDTM-WDEREUQCSA-N -1 0 310.306 -0.502 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001610596473 1019695588 /nfs/dbraw/zinc/69/55/88/1019695588.db2.gz TZXQSLVGPQNMDA-UHFFFAOYSA-N -1 0 315.351 -0.467 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC001610597088 1019695631 /nfs/dbraw/zinc/69/56/31/1019695631.db2.gz OUBCGEQOXLWZLB-SSDOTTSWSA-N -1 0 301.324 -0.774 20 0 DBADRM Cc1occc1CNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001610588310 1019695816 /nfs/dbraw/zinc/69/58/16/1019695816.db2.gz CBJRCHROUHKDTM-QWRGUYRKSA-N -1 0 310.306 -0.502 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-] ZINC001610599364 1019695865 /nfs/dbraw/zinc/69/58/65/1019695865.db2.gz WDHKFSYZSZQMCO-ZCFIWIBFSA-N -1 0 311.747 -0.424 20 0 DBADRM Cn1c(=O)ccn(CC(=O)OCc2ccc(C(=O)[O-])cn2)c1=O ZINC001610596082 1019696060 /nfs/dbraw/zinc/69/60/60/1019696060.db2.gz XEUGMZQCNXZWQN-UHFFFAOYSA-N -1 0 319.273 -0.616 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cn1 ZINC001610603275 1019696855 /nfs/dbraw/zinc/69/68/55/1019696855.db2.gz GHZQQVZZGQVZAX-JGVFFNPUSA-N -1 0 309.244 -0.155 20 0 DBADRM Cn1ccc(N2CCC[C@@H](N3CCC(O)(C(=O)[O-])CC3)C2=O)n1 ZINC001610608948 1019697171 /nfs/dbraw/zinc/69/71/71/1019697171.db2.gz WHKZZJOIGPXDQN-LLVKDONJSA-N -1 0 322.365 -0.173 20 0 DBADRM Cn1ccnc1[C@@H](O)C1CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC001610610479 1019697694 /nfs/dbraw/zinc/69/76/94/1019697694.db2.gz VSVAOFYNRKSUEH-AWEZNQCLSA-N -1 0 324.381 -0.244 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@]2(C)CCOC2=O)cc1C(=O)[O-] ZINC001610604057 1019697720 /nfs/dbraw/zinc/69/77/20/1019697720.db2.gz CDRXGNQGJKYPST-CYBMUJFWSA-N -1 0 309.278 -0.516 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)c3cc(C(=O)[O-])on3)C2=O)cn1 ZINC001610605549 1019697800 /nfs/dbraw/zinc/69/78/00/1019697800.db2.gz XCIISUFUSHAJNH-QMMMGPOBSA-N -1 0 319.277 -0.358 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCC[C@](C)(CO)C1 ZINC001610614710 1019699800 /nfs/dbraw/zinc/69/98/00/1019699800.db2.gz QZENZBPSUBXRJD-AWEZNQCLSA-N -1 0 324.337 -0.322 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCO[C@H](C2CC2)C1 ZINC001610614381 1019699893 /nfs/dbraw/zinc/69/98/93/1019699893.db2.gz LADMEMFLAHTLBT-JTQLQIEISA-N -1 0 322.321 -0.306 20 0 DBADRM Cn1cncc1[C@H]1CC(=O)N(CN2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001610611441 1019699992 /nfs/dbraw/zinc/69/99/92/1019699992.db2.gz IFLLJKSEFLCPEL-RYUDHWBXSA-N -1 0 322.365 -0.131 20 0 DBADRM Cn1cncc1[C@H]1CC(=O)N(CN2CCOC[C@@H]2CC(=O)[O-])C1 ZINC001610611628 1019700356 /nfs/dbraw/zinc/70/03/56/1019700356.db2.gz NETNWVQLKNLDFS-RYUDHWBXSA-N -1 0 322.365 -0.131 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)NC1CCS(=O)(=O)CC1 ZINC001610614230 1019700741 /nfs/dbraw/zinc/70/07/41/1019700741.db2.gz ORJYJOFDISNELA-UHFFFAOYSA-N -1 0 316.339 -0.183 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001610613439 1019701815 /nfs/dbraw/zinc/70/18/15/1019701815.db2.gz HYMVKYMEPBXWBD-AWEZNQCLSA-N -1 0 308.338 -0.015 20 0 DBADRM Cn1nnnc1CCNC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001610618386 1019702423 /nfs/dbraw/zinc/70/24/23/1019702423.db2.gz SYCVIPALWGTRQS-UHFFFAOYSA-N -1 0 318.337 -0.007 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001610618002 1019702789 /nfs/dbraw/zinc/70/27/89/1019702789.db2.gz NZGZNYPIEGYMET-QMMMGPOBSA-N -1 0 302.337 -0.019 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)CC2 ZINC001610615383 1019703083 /nfs/dbraw/zinc/70/30/83/1019703083.db2.gz SFMGARUWYBBIIG-ADEWGFFLSA-N -1 0 307.350 -0.181 20 0 DBADRM Cn1nccc1CCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001610616493 1019703819 /nfs/dbraw/zinc/70/38/19/1019703819.db2.gz UNKFRPKHERGVMN-UHFFFAOYSA-N -1 0 304.310 -0.274 20 0 DBADRM Cn1nnnc1CCNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001610618566 1019704384 /nfs/dbraw/zinc/70/43/84/1019704384.db2.gz WTQJWOFDGSNREG-BDAKNGLRSA-N -1 0 317.371 -0.685 20 0 DBADRM NC(=O)C1CCN(C(=O)CN2CC[C@@](F)(C(=O)[O-])C2)CC1 ZINC001610636201 1019705068 /nfs/dbraw/zinc/70/50/68/1019705068.db2.gz PFNPXHJGJFYWPD-ZDUSSCGKSA-N -1 0 301.318 -0.791 20 0 DBADRM NC(=O)[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccc(F)cc1 ZINC001610637357 1019705224 /nfs/dbraw/zinc/70/52/24/1019705224.db2.gz SSWOVDUFPFPSFQ-LLVKDONJSA-N -1 0 321.268 -0.542 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001610634463 1019705522 /nfs/dbraw/zinc/70/55/22/1019705522.db2.gz CHSVUBDNXFVVKI-SECBINFHSA-N -1 0 305.290 -0.343 20 0 DBADRM NC(=O)CC1(CNS(=O)(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC001610635930 1019705796 /nfs/dbraw/zinc/70/57/96/1019705796.db2.gz LPUGIUZOEQJTQQ-UHFFFAOYSA-N -1 0 313.335 -0.286 20 0 DBADRM NC(=O)[C@@H]1CC(C(=O)N[C@@H](CF)C(=O)[O-])=NN1c1ccccc1 ZINC001610634668 1019707269 /nfs/dbraw/zinc/70/72/69/1019707269.db2.gz DHYRNSNSOHPOQN-QWRGUYRKSA-N -1 0 322.296 -0.355 20 0 DBADRM NC(=O)c1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)c(F)c1 ZINC001610640949 1019707853 /nfs/dbraw/zinc/70/78/53/1019707853.db2.gz KHWDWVMYJVMLJO-UHFFFAOYSA-N -1 0 323.280 -0.156 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001610638711 1019709045 /nfs/dbraw/zinc/70/90/45/1019709045.db2.gz YGCLFZRRMRSAJY-SECBINFHSA-N -1 0 301.343 -0.443 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)NCC1(C(=O)[O-])CC1 ZINC001610639777 1019709206 /nfs/dbraw/zinc/70/92/06/1019709206.db2.gz BFTFNQPPSVGTLX-UHFFFAOYSA-N -1 0 303.278 -0.577 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)N(CC(=O)[O-])C2CCOCC2)C1 ZINC001610638769 1019709752 /nfs/dbraw/zinc/70/97/52/1019709752.db2.gz LFWHGANDMNITSK-SNVBAGLBSA-N -1 0 313.354 -0.131 20 0 DBADRM NC(=O)c1ccc(=O)n(Cc2cn3cccc(C(=O)[O-])c3n2)n1 ZINC001610639679 1019710007 /nfs/dbraw/zinc/71/00/07/1019710007.db2.gz UXXBBAVSFWLKTQ-UHFFFAOYSA-N -1 0 313.273 -0.264 20 0 DBADRM NC(=O)c1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)nc1 ZINC001610640274 1019710457 /nfs/dbraw/zinc/71/04/57/1019710457.db2.gz IWVFVQLNQSMNND-UHFFFAOYSA-N -1 0 319.277 -0.744 20 0 DBADRM NC(=O)c1ncn(CC(=O)NCCc2cccc(C(=O)[O-])c2)n1 ZINC001610642682 1019712814 /nfs/dbraw/zinc/71/28/14/1019712814.db2.gz VCJBBUPNVBXCJJ-UHFFFAOYSA-N -1 0 317.305 -0.566 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CN1C(=O)CNC1=O)c1ccc(F)cc1 ZINC001610661992 1019714789 /nfs/dbraw/zinc/71/47/89/1019714789.db2.gz NNTLEUYNIVMIOB-JTQLQIEISA-N -1 0 323.280 -0.338 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001610656074 1019715034 /nfs/dbraw/zinc/71/50/34/1019715034.db2.gz KJZMYVHEHPUGAJ-BBBLOLIVSA-N -1 0 312.322 -0.887 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CN1CC(=O)NC1=O)c1ccc(F)cc1 ZINC001610662685 1019716296 /nfs/dbraw/zinc/71/62/96/1019716296.db2.gz YASGAPDLELBNEM-SNVBAGLBSA-N -1 0 323.280 -0.338 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC001610683124 1019717016 /nfs/dbraw/zinc/71/70/16/1019717016.db2.gz NGUBLZSFEXLZEE-MRVPVSSYSA-N -1 0 323.273 -0.142 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)C1CC1 ZINC001610679177 1019717807 /nfs/dbraw/zinc/71/78/07/1019717807.db2.gz XSUSGOFCMAXJHS-QJPTWQEYSA-N -1 0 319.317 -0.063 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC001610682854 1019718011 /nfs/dbraw/zinc/71/80/11/1019718011.db2.gz FXXPYFSAEDJPSX-GZMMTYOYSA-N -1 0 310.281 -0.260 20 0 DBADRM O=C([O-])c1cn(CC(=O)O[C@@H]2C[C@H]3CCCC[C@H]3NC2=O)nn1 ZINC001610677740 1019718464 /nfs/dbraw/zinc/71/84/64/1019718464.db2.gz IIGKOLOVNVGRDY-FXPVBKGRSA-N -1 0 322.321 -0.033 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC001610682855 1019718655 /nfs/dbraw/zinc/71/86/55/1019718655.db2.gz FXXPYFSAEDJPSX-LDYMZIIASA-N -1 0 310.281 -0.260 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC2(CO)Cc3ccccc3C2)nn1 ZINC001610677328 1019718777 /nfs/dbraw/zinc/71/87/77/1019718777.db2.gz KQGMGAONCSACDN-UHFFFAOYSA-N -1 0 316.317 -0.378 20 0 DBADRM O=C([O-])C1(CNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001610690316 1019720415 /nfs/dbraw/zinc/72/04/15/1019720415.db2.gz GUINAEYITAXIPN-VIFPVBQESA-N -1 0 304.368 -0.025 20 0 DBADRM O=C([O-])c1cc(Cl)cc(NC(=O)C(=O)NC[C@@H](O)CO)c1 ZINC001610688968 1019720668 /nfs/dbraw/zinc/72/06/68/1019720668.db2.gz YDXYTAAKVVSKEW-SECBINFHSA-N -1 0 316.697 -0.554 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)CNC(=O)c1ccc(F)cc1 ZINC001610687549 1019720969 /nfs/dbraw/zinc/72/09/69/1019720969.db2.gz SZOFIFOMWNVAPD-AAEUAGOBSA-N -1 0 324.308 -0.008 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@H]2CCn3ccnc3C2)nn1 ZINC001610695248 1019721363 /nfs/dbraw/zinc/72/13/63/1019721363.db2.gz ASBVTYWSWKNFCR-VIFPVBQESA-N -1 0 319.325 -0.513 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC001610725087 1019722197 /nfs/dbraw/zinc/72/21/97/1019722197.db2.gz ZGDUYWUILIFEFM-LLVKDONJSA-N -1 0 306.384 -0.125 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N(CCO)CCO)CCCCC1 ZINC001610727087 1019722296 /nfs/dbraw/zinc/72/22/96/1019722296.db2.gz FGRWGGZHDRGVDX-UHFFFAOYSA-N -1 0 309.384 -0.362 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCc2ccccc2F)C1 ZINC001610697895 1019722584 /nfs/dbraw/zinc/72/25/84/1019722584.db2.gz FTZYAYLEQCFOOA-MNOVXSKESA-N -1 0 324.308 -0.264 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)NCc2cccnc2)CC1 ZINC001610698388 1019723804 /nfs/dbraw/zinc/72/38/04/1019723804.db2.gz SERXCKBXJIHYMW-GFCCVEGCSA-N -1 0 321.333 -0.618 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC001610716530 1019723948 /nfs/dbraw/zinc/72/39/48/1019723948.db2.gz YOBMOMWGQSXISG-NXEZZACHSA-N -1 0 310.306 -0.164 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)C(=O)NCc2ccccn2)C1 ZINC001610698198 1019724189 /nfs/dbraw/zinc/72/41/89/1019724189.db2.gz OYOOSQSXHIXJNN-JTQLQIEISA-N -1 0 323.374 -0.026 20 0 DBADRM O=C([O-])[C@@H](CF)NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC001610715588 1019724386 /nfs/dbraw/zinc/72/43/86/1019724386.db2.gz DWZYBLKXZHJPKY-MRVPVSSYSA-N -1 0 312.319 -0.918 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)[C@@H]1CCCCS1(=O)=O ZINC001610733377 1019724714 /nfs/dbraw/zinc/72/47/14/1019724714.db2.gz RUGAIQCJVXNEEU-UTLUCORTSA-N -1 0 305.352 -0.610 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(S(=O)(=O)c2cnc3n2CCC3)C1 ZINC001610737329 1019726129 /nfs/dbraw/zinc/72/61/29/1019726129.db2.gz PJAXXARODPKWTD-IUCAKERBSA-N -1 0 315.351 -0.715 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@H](CO)[C@@H]2CCOC2)CCC1 ZINC001610727308 1019726604 /nfs/dbraw/zinc/72/66/04/1019726604.db2.gz FQFSRDUBUKAXNF-GHMZBOCLSA-N -1 0 321.395 -0.194 20 0 DBADRM O=C([O-])CC1(CNC(=O)C(=O)NCC(F)F)CCOCC1 ZINC001610753035 1019728331 /nfs/dbraw/zinc/72/83/31/1019728331.db2.gz ARJMWHYINORRJA-UHFFFAOYSA-N -1 0 308.281 -0.245 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCO[C@@]3(CCOC3)C2)CC1 ZINC001610742573 1019728962 /nfs/dbraw/zinc/72/89/62/1019728962.db2.gz IVOMTZMNVJEUFF-HNNXBMFYSA-N -1 0 312.366 -0.199 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC[C@H](O)CN2CCCC2=O)C1 ZINC001610739980 1019729083 /nfs/dbraw/zinc/72/90/83/1019729083.db2.gz CHZOOALQRWQHHX-TUAOUCFPSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC001610737988 1019729852 /nfs/dbraw/zinc/72/98/52/1019729852.db2.gz MOZUIIBYCLMCJB-VHSXEESVSA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC001610739355 1019729903 /nfs/dbraw/zinc/72/99/03/1019729903.db2.gz XIOBUHYHAOEKTD-OUAUKWLOSA-N -1 0 308.338 -0.325 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001610761957 1019730561 /nfs/dbraw/zinc/73/05/61/1019730561.db2.gz NVCGJPAIECORQO-MRVPVSSYSA-N -1 0 319.277 -0.921 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1c[nH]c2ncccc12 ZINC001610760030 1019730781 /nfs/dbraw/zinc/73/07/81/1019730781.db2.gz ULWSTNVWIHBAOM-JTQLQIEISA-N -1 0 302.290 -0.022 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cc2n[nH]nc2cc1F ZINC001610760047 1019730799 /nfs/dbraw/zinc/73/07/99/1019730799.db2.gz VGJQUOXXTYLMOT-JTQLQIEISA-N -1 0 321.268 -0.488 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)C2CCS(=O)(=O)CC2)CCCOC1 ZINC001610755879 1019731013 /nfs/dbraw/zinc/73/10/13/1019731013.db2.gz XHXRCWCWXWSWSN-ZDUSSCGKSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC001610760791 1019731378 /nfs/dbraw/zinc/73/13/78/1019731378.db2.gz GGNZGVMZYKZPTO-SECBINFHSA-N -1 0 309.326 -0.212 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1noc2c1CCCC2 ZINC001610761685 1019731416 /nfs/dbraw/zinc/73/14/16/1019731416.db2.gz IVYXHNOZTDFBCX-VIFPVBQESA-N -1 0 307.306 -0.031 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)NCc1nnc2n1CCOC2 ZINC001610761394 1019731676 /nfs/dbraw/zinc/73/16/76/1019731676.db2.gz XYKAJIWAPVJARF-VIFPVBQESA-N -1 0 309.326 -0.043 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)C[C@@H]2CCCS(=O)(=O)C2)CCOC1 ZINC001610755709 1019731793 /nfs/dbraw/zinc/73/17/93/1019731793.db2.gz JKYTZHYOSNMPQE-GXFFZTMASA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)C[C@H]2CCS(=O)(=O)C2)CCOC1 ZINC001610755645 1019731878 /nfs/dbraw/zinc/73/18/78/1019731878.db2.gz FJYQETCFOOQGET-SKDRFNHKSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])CCCNC(=S)NCCN1CCCS1(=O)=O ZINC001610770117 1019732759 /nfs/dbraw/zinc/73/27/59/1019732759.db2.gz PPBGWHYZSPVSNO-UHFFFAOYSA-N -1 0 309.413 -0.649 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001610774352 1019732777 /nfs/dbraw/zinc/73/27/77/1019732777.db2.gz QOMJHHFWBMPEQG-PBINXNQUSA-N -1 0 313.306 -0.638 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)CC[C@H]1NC(=O)NC1=O ZINC001610765190 1019732990 /nfs/dbraw/zinc/73/29/90/1019732990.db2.gz KXYCIIMESLRMOQ-HTQZYQBOSA-N -1 0 315.351 -0.607 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)CC[C@H]1NC(=O)NC1=O ZINC001610765191 1019734493 /nfs/dbraw/zinc/73/44/93/1019734493.db2.gz KXYCIIMESLRMOQ-JGVFFNPUSA-N -1 0 315.351 -0.607 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)c2cn(C3CCOCC3)nn2)CCO1 ZINC001610764240 1019734809 /nfs/dbraw/zinc/73/48/09/1019734809.db2.gz UNJYJXAJHWVOIZ-NSHDSACASA-N -1 0 324.337 -0.055 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)NC2(CO)CC2)c1 ZINC001610788409 1019735757 /nfs/dbraw/zinc/73/57/57/1019735757.db2.gz CQNJTZQHNFWVRT-UHFFFAOYSA-N -1 0 308.290 -0.270 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CNC(=O)CC1CCCCC1 ZINC001610783705 1019735818 /nfs/dbraw/zinc/73/58/18/1019735818.db2.gz NREHKIIWLQHUOG-UHFFFAOYSA-N -1 0 314.338 -0.183 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)/C=C/[C@@H]1CCCO1 ZINC001610779924 1019736803 /nfs/dbraw/zinc/73/68/03/1019736803.db2.gz KYEPULQXTZIDRP-OOPCZODUSA-N -1 0 312.366 -0.033 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)CN2CCNCC2=O)cc1 ZINC001610787348 1019736834 /nfs/dbraw/zinc/73/68/34/1019736834.db2.gz AANWIWSRFOKVDK-UHFFFAOYSA-N -1 0 307.306 -0.480 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@]1(F)CCOC1 ZINC001610780059 1019737227 /nfs/dbraw/zinc/73/72/27/1019737227.db2.gz RKZWEBNMMWYIRE-CYBMUJFWSA-N -1 0 304.318 -0.640 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1S(=O)(=O)C[C@H]1CCCO1 ZINC001610783108 1019737294 /nfs/dbraw/zinc/73/72/94/1019737294.db2.gz MSYHXYSLOSQAJE-NXEZZACHSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])COc1cccc(CNC(=O)CN2CCNCC2=O)c1 ZINC001610787991 1019737532 /nfs/dbraw/zinc/73/75/32/1019737532.db2.gz SZHYMCCTLVRLEU-UHFFFAOYSA-N -1 0 321.333 -0.802 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1cn(C2CCC2)nn1 ZINC001610782777 1019737605 /nfs/dbraw/zinc/73/76/05/1019737605.db2.gz LQMUVAXZHCAROA-LLVKDONJSA-N -1 0 321.337 -0.192 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCN(CC(F)(F)F)C(=O)C1 ZINC001610781911 1019737769 /nfs/dbraw/zinc/73/77/69/1019737769.db2.gz UQBUOHMFJTXZQY-UHFFFAOYSA-N -1 0 311.260 -0.716 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccnc(-n2ccnc2)c1 ZINC001610802380 1019739486 /nfs/dbraw/zinc/73/94/86/1019739486.db2.gz DYUCLHNEYVTGAH-MNOVXSKESA-N -1 0 302.290 -0.073 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC3(C2)CCOC3)cn1 ZINC001610800278 1019740298 /nfs/dbraw/zinc/74/02/98/1019740298.db2.gz DEBYQCNQLCSJHJ-UHFFFAOYSA-N -1 0 301.324 -0.621 20 0 DBADRM O=C([O-])Cn1cc(CC[S@](=O)c2n[nH]c(C3CC3)n2)nn1 ZINC001610799780 1019740436 /nfs/dbraw/zinc/74/04/36/1019740436.db2.gz HIDXOFCMVDRQJA-NRFANRHFSA-N -1 0 310.339 -0.292 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCCN(C(=O)C3CC3)CC2)C(=O)O1 ZINC001610802463 1019740762 /nfs/dbraw/zinc/74/07/62/1019740762.db2.gz JNHMRCPYNSYNER-NSHDSACASA-N -1 0 311.338 -0.206 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCNC[C@H]2C(F)F)c[nH]1 ZINC001610816445 1019741774 /nfs/dbraw/zinc/74/17/74/1019741774.db2.gz KRHBFSDEFXMASA-QMMMGPOBSA-N -1 0 309.294 -0.060 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@H](O)C[C@H](O)C2)ccc1F ZINC001610816645 1019741795 /nfs/dbraw/zinc/74/17/95/1019741795.db2.gz YBLDENVTTVLLTN-OCAPTIKFSA-N -1 0 319.310 -0.360 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2cn(C3CCC3)nn2)nn1 ZINC001610859965 1019742212 /nfs/dbraw/zinc/74/22/12/1019742212.db2.gz BFXUOADESYGRRG-UHFFFAOYSA-N -1 0 305.298 -0.277 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@@H]2CCn3cncc3C2)nn1 ZINC001610859301 1019742232 /nfs/dbraw/zinc/74/22/32/1019742232.db2.gz MYQYWJNQRQKUOY-SECBINFHSA-N -1 0 304.310 -0.448 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCNC[C@@H]2C(F)F)c[nH]1 ZINC001610816444 1019742706 /nfs/dbraw/zinc/74/27/06/1019742706.db2.gz KRHBFSDEFXMASA-MRVPVSSYSA-N -1 0 309.294 -0.060 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@H](O)C[C@H](O)C2)cs1 ZINC001610816364 1019742874 /nfs/dbraw/zinc/74/28/74/1019742874.db2.gz AOTRPBLMHYOUBM-KNVOCYPGSA-N -1 0 307.349 -0.438 20 0 DBADRM O=C([O-])c1cn(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)nn1 ZINC001610860114 1019744052 /nfs/dbraw/zinc/74/40/52/1019744052.db2.gz LPVSKWIZOJQSHC-SECBINFHSA-N -1 0 300.340 -0.415 20 0 DBADRM O=C([O-])c1cncc(C(=O)N(CCO)CCN2CCOCC2)c1 ZINC001610863397 1019744114 /nfs/dbraw/zinc/74/41/14/1019744114.db2.gz XFXNLZCAASCJIM-UHFFFAOYSA-N -1 0 323.349 -0.454 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)CCC1 ZINC001610886048 1019747380 /nfs/dbraw/zinc/74/73/80/1019747380.db2.gz BZQIFMFLAPKSOO-SECBINFHSA-N -1 0 317.367 -0.720 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)N3CCOCC3)CC2)nc1 ZINC001610861127 1019748030 /nfs/dbraw/zinc/74/80/30/1019748030.db2.gz FLDZDVXLCZZAQG-UHFFFAOYSA-N -1 0 321.337 -0.251 20 0 DBADRM CN(C)C(=O)C1(CNC(=O)C(=O)NCCC(=O)[O-])CCCC1 ZINC001610892386 1019749067 /nfs/dbraw/zinc/74/90/67/1019749067.db2.gz MMEJBBSCKDMPHR-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)Cc1ncc(Cl)n1C ZINC001610920701 1019749537 /nfs/dbraw/zinc/74/95/37/1019749537.db2.gz SXWCGYFNRRJONF-UHFFFAOYSA-N -1 0 316.745 -0.035 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001610904638 1019750017 /nfs/dbraw/zinc/75/00/17/1019750017.db2.gz KICHHOFCZRJDJN-AWEZNQCLSA-N -1 0 321.337 -0.196 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001610904616 1019750394 /nfs/dbraw/zinc/75/03/94/1019750394.db2.gz DBOCFTBXDBDVHN-SECBINFHSA-N -1 0 307.310 -0.443 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccc(C(N)=O)cc1F ZINC001610920683 1019751319 /nfs/dbraw/zinc/75/13/19/1019751319.db2.gz RAMQPCXKFUNOHS-UHFFFAOYSA-N -1 0 311.269 -0.204 20 0 DBADRM COC(=O)c1c(C)csc1NC(=O)C(=O)NCC(=O)[O-] ZINC001610972287 1019752164 /nfs/dbraw/zinc/75/21/64/1019752164.db2.gz CVVCEUCFMDOYJW-UHFFFAOYSA-N -1 0 300.292 -0.018 20 0 DBADRM COC(=O)c1ccc(N2CCN(C(=O)[C@H](C)C(=O)[O-])CC2)nn1 ZINC001610981672 1019752584 /nfs/dbraw/zinc/75/25/84/1019752584.db2.gz ZSNIHEDOFSBKFJ-VIFPVBQESA-N -1 0 322.321 -0.368 20 0 DBADRM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCS(=O)(=O)CC(=O)[O-] ZINC001610965231 1019752629 /nfs/dbraw/zinc/75/26/29/1019752629.db2.gz STYHQBFCFTUBDX-SCVCMEIPSA-N -1 0 319.379 -0.241 20 0 DBADRM CN1Cc2ccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])cc2C1 ZINC001610956341 1019753249 /nfs/dbraw/zinc/75/32/49/1019753249.db2.gz VWPGKLANLAGYRL-HNNXBMFYSA-N -1 0 321.333 -0.478 20 0 DBADRM CNS(=O)(=O)c1ccc(CC(=O)N(C)CC(=O)[O-])cc1 ZINC001610960165 1019753304 /nfs/dbraw/zinc/75/33/04/1019753304.db2.gz FPPYZXKXTUXPOW-UHFFFAOYSA-N -1 0 300.336 -0.320 20 0 DBADRM CNC(=O)CNC(=O)c1cccc(NC(=O)NCC(=O)[O-])c1 ZINC001610956303 1019753543 /nfs/dbraw/zinc/75/35/43/1019753543.db2.gz PAFWFZTWCVUGFP-UHFFFAOYSA-N -1 0 308.294 -0.632 20 0 DBADRM COCC1=CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC001611000476 1019755376 /nfs/dbraw/zinc/75/53/76/1019755376.db2.gz QAHJKRYPGKODCP-NSHDSACASA-N -1 0 312.322 -0.897 20 0 DBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)N(C)CCC(=O)[O-] ZINC001611012080 1019755925 /nfs/dbraw/zinc/75/59/25/1019755925.db2.gz ADMBRVZHAQKMRC-GHMZBOCLSA-N -1 0 304.343 -0.077 20 0 DBADRM COCCNC(=O)CN1CCN(c2cccc(C(=O)[O-])n2)CC1 ZINC001611012227 1019755958 /nfs/dbraw/zinc/75/59/58/1019755958.db2.gz WOZLINKWZGCVBQ-UHFFFAOYSA-N -1 0 322.365 -0.336 20 0 DBADRM Cc1cc(C)c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])[nH]1 ZINC001611137022 1019757984 /nfs/dbraw/zinc/75/79/84/1019757984.db2.gz ZWUMKWHQKFMLPK-VIFPVBQESA-N -1 0 300.336 -0.045 20 0 DBADRM Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)NCCC(=O)[O-])C2 ZINC001611244349 1019758334 /nfs/dbraw/zinc/75/83/34/1019758334.db2.gz QBQMMYLJZAQGRO-SNVBAGLBSA-N -1 0 306.322 -0.651 20 0 DBADRM Cc1cc(CS(=O)(=O)CCS(=O)(=O)CC(=O)[O-])ncn1 ZINC001611146629 1019758502 /nfs/dbraw/zinc/75/85/02/1019758502.db2.gz YNHNVYMCFFQJFJ-UHFFFAOYSA-N -1 0 322.364 -0.801 20 0 DBADRM O=C(NN1C(=O)c2ccccc2C1=O)c1c[n-]n2c1nccc2=O ZINC001611129443 1019758963 /nfs/dbraw/zinc/75/89/63/1019758963.db2.gz QGXQUQSRVBSHCP-UHFFFAOYSA-N -1 0 323.268 -0.036 20 0 DBADRM NC(=O)CCc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC001611304767 1019760940 /nfs/dbraw/zinc/76/09/40/1019760940.db2.gz HKAJGXGYHKUEJE-UHFFFAOYSA-N -1 0 307.306 -0.366 20 0 DBADRM O=C([O-])[C@H]1CC(C(=O)NC(CO)CO)=NN1c1ccccc1 ZINC001611328898 1019761157 /nfs/dbraw/zinc/76/11/57/1019761157.db2.gz WBQWSLKGOUVHTK-GFCCVEGCSA-N -1 0 307.306 -0.825 20 0 DBADRM Cn1nccc1[C@@H]1C[C@@H](NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001611286271 1019761206 /nfs/dbraw/zinc/76/12/06/1019761206.db2.gz SHYMLQXPKKXKIK-KPXOXKRLSA-N -1 0 322.321 -0.014 20 0 DBADRM NC(=O)C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001611304881 1019761267 /nfs/dbraw/zinc/76/12/67/1019761267.db2.gz URAJCEUXZBFSTI-NXEZZACHSA-N -1 0 311.338 -0.967 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001611282840 1019761330 /nfs/dbraw/zinc/76/13/30/1019761330.db2.gz KXOPCQMDFLVRQR-UWVGGRQHSA-N -1 0 321.337 -0.588 20 0 DBADRM NC(=O)C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001611304884 1019761691 /nfs/dbraw/zinc/76/16/91/1019761691.db2.gz URAJCEUXZBFSTI-VHSXEESVSA-N -1 0 311.338 -0.967 20 0 DBADRM NC(=O)c1ccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1 ZINC001611309473 1019761728 /nfs/dbraw/zinc/76/17/28/1019761728.db2.gz XGEPHJJPGMYYRY-LLVKDONJSA-N -1 0 312.347 -0.531 20 0 DBADRM Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001611282841 1019762099 /nfs/dbraw/zinc/76/20/99/1019762099.db2.gz KXOPCQMDFLVRQR-VHSXEESVSA-N -1 0 321.337 -0.588 20 0 DBADRM Cn1nncc1NC(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001611291060 1019762134 /nfs/dbraw/zinc/76/21/34/1019762134.db2.gz HRDGSKOSUYWYCJ-VIFPVBQESA-N -1 0 309.326 -0.143 20 0 DBADRM Nc1nccc([C@H]2CCCN(C(=O)[C@@H]3CC(C(=O)[O-])=NO3)C2)n1 ZINC001611313696 1019762367 /nfs/dbraw/zinc/76/23/67/1019762367.db2.gz IAKJFNWQYDBZRO-KWQFWETISA-N -1 0 319.321 -0.006 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)Nc2ccc3ncnn3c2)C1 ZINC001611349523 1019762423 /nfs/dbraw/zinc/76/24/23/1019762423.db2.gz JKVDZIWSMFIZBM-QMMMGPOBSA-N -1 0 303.278 -0.399 20 0 DBADRM Cn1nccc1[C@@H]1C[C@H](NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001611286269 1019762575 /nfs/dbraw/zinc/76/25/75/1019762575.db2.gz SHYMLQXPKKXKIK-JFUSQASVSA-N -1 0 322.321 -0.014 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC(C3CCOCC3)C2)C1 ZINC001611369676 1019764726 /nfs/dbraw/zinc/76/47/26/1019764726.db2.gz MFFYOWPIXTUAMU-NSHDSACASA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](n3ccnc3)C2)C1 ZINC001611369627 1019764962 /nfs/dbraw/zinc/76/49/62/1019764962.db2.gz AJQYCWSLURCJQL-NEPJUHHUSA-N -1 0 320.349 -0.020 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@](O)(C(F)F)C2)CC1 ZINC001611369718 1019764998 /nfs/dbraw/zinc/76/49/98/1019764998.db2.gz WLBHCMYKHOOSSA-CYBMUJFWSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)CCO1 ZINC001611391793 1019765130 /nfs/dbraw/zinc/76/51/30/1019765130.db2.gz VFDTZYSMDLFXDY-AXFHLTTASA-N -1 0 311.338 -0.365 20 0 DBADRM CC(C)[C@@H](C)C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001506153920 1019765998 /nfs/dbraw/zinc/76/59/98/1019765998.db2.gz JBCGSOOOQRSVTP-MRVPVSSYSA-N -1 0 323.353 -0.047 20 0 DBADRM CC(C)[C@H](C)C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001506153922 1019766991 /nfs/dbraw/zinc/76/69/91/1019766991.db2.gz JBCGSOOOQRSVTP-QMMMGPOBSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCOC[C@H]1CC(F)F ZINC001611488576 1019767248 /nfs/dbraw/zinc/76/72/48/1019767248.db2.gz PSTUPFVCGZOXGF-MRVPVSSYSA-N -1 0 301.311 -0.158 20 0 DBADRM O=C([O-])Cc1noc([C@H]2CC(=O)N(CCN3CCOCC3)C2)n1 ZINC001611519390 1019767270 /nfs/dbraw/zinc/76/72/70/1019767270.db2.gz MEEKEAMAHSCHPN-JTQLQIEISA-N -1 0 324.337 -0.655 20 0 DBADRM CC[C@H](F)C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001506172306 1019774911 /nfs/dbraw/zinc/77/49/11/1019774911.db2.gz ZCLIGGAPVWESRG-ZETCQYMHSA-N -1 0 315.305 -0.798 20 0 DBADRM O=C(c1ccnc2[nH]cnc21)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001616142822 1019777223 /nfs/dbraw/zinc/77/72/23/1019777223.db2.gz VYXKGLGQEPDGHQ-QMMMGPOBSA-N -1 0 300.282 -0.315 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001616675304 1019781932 /nfs/dbraw/zinc/78/19/32/1019781932.db2.gz PTEQJUHMUFRGDU-UHFFFAOYSA-N -1 0 319.350 -0.588 20 0 DBADRM C[C@H](C(=O)N1C[C@H](C)C[C@@H](CO)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001575976170 1019782386 /nfs/dbraw/zinc/78/23/86/1019782386.db2.gz IHJQSPYKIILKKA-OPRDCNLKSA-N -1 0 320.357 -0.504 20 0 DBADRM Cn1nc(CCNC(=O)Cn2c(=O)[n-][nH]c2=O)c2ccccc21 ZINC001616757196 1019782990 /nfs/dbraw/zinc/78/29/90/1019782990.db2.gz PPRDDUUSBIUYHP-UHFFFAOYSA-N -1 0 316.321 -0.065 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1nnn(-c2ccc(OC)cc2)c1C ZINC001618147881 1019793596 /nfs/dbraw/zinc/79/35/96/1019793596.db2.gz DOFYRBSSJHFPAK-UHFFFAOYSA-N -1 0 319.321 -0.008 20 0 DBADRM CCC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576471982 1019854224 /nfs/dbraw/zinc/85/42/24/1019854224.db2.gz SPFJPSIMHSMWPG-CYBMUJFWSA-N -1 0 318.341 -0.876 20 0 DBADRM CCC(=O)NC[C@@H]1COCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001576486276 1019856430 /nfs/dbraw/zinc/85/64/30/1019856430.db2.gz DFWIYALIAFLVJX-SECBINFHSA-N -1 0 318.341 -0.612 20 0 DBADRM Cc1nnc(CC(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001506618122 1019876596 /nfs/dbraw/zinc/87/65/96/1019876596.db2.gz XSRYDNUIUXDKAS-ZETCQYMHSA-N -1 0 321.341 -0.619 20 0 DBADRM CC(=O)NCC1(C)CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001506631680 1019880419 /nfs/dbraw/zinc/88/04/19/1019880419.db2.gz DNOUZXQQCXUZOH-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM CC[C@H](CNC(=O)[C@H](C)OC)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001576772445 1019888744 /nfs/dbraw/zinc/88/87/44/1019888744.db2.gz BFIFQQYPEMYHRP-DTWKUNHWSA-N -1 0 320.357 -0.580 20 0 DBADRM CN(CCNC(=O)CCCCc1c[nH]nn1)Cc1n[nH]c(=O)[n-]1 ZINC001576821760 1019896546 /nfs/dbraw/zinc/89/65/46/1019896546.db2.gz KEEOPMHZDBWLCT-UHFFFAOYSA-N -1 0 322.373 -0.411 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)N3CCC[C@@H](c4nnn[n-]4)C3)cc2CN1 ZINC001576871541 1019915581 /nfs/dbraw/zinc/91/55/81/1019915581.db2.gz FPWZVONFMKYALJ-NXEZZACHSA-N -1 0 316.369 -0.092 20 0 DBADRM CC[C@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C(=O)OC ZINC001576924729 1019951815 /nfs/dbraw/zinc/95/18/15/1019951815.db2.gz IHOGXTIHTNREJU-ZCFIWIBFSA-N -1 0 323.313 -0.723 20 0 DBADRM CC[C@@H](F)C(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001576957989 1019963748 /nfs/dbraw/zinc/96/37/48/1019963748.db2.gz WOSMFGSCBDVKAZ-MRVPVSSYSA-N -1 0 320.332 -0.113 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576965369 1019967162 /nfs/dbraw/zinc/96/71/62/1019967162.db2.gz JHINRXUITGXPAG-HRDYMLBCSA-N -1 0 320.332 -0.114 20 0 DBADRM CC[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)[C@H](O)C(C)C ZINC001576976733 1019972939 /nfs/dbraw/zinc/97/29/39/1019972939.db2.gz XQLSSIYOPBGHRH-LPEHRKFASA-N -1 0 322.373 -0.069 20 0 DBADRM CCC1(C(=O)NCCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC1 ZINC001577101011 1020005379 /nfs/dbraw/zinc/00/53/79/1020005379.db2.gz IBZLVLOAGYZZCE-UHFFFAOYSA-N -1 0 319.325 -0.565 20 0 DBADRM CC[C@@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@H]1C ZINC001577159726 1020016831 /nfs/dbraw/zinc/01/68/31/1020016831.db2.gz ARTBSKMRUHSOGH-DTWKUNHWSA-N -1 0 319.369 -0.111 20 0 DBADRM CCC[C@H](CCO)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001577322803 1020052826 /nfs/dbraw/zinc/05/28/26/1020052826.db2.gz TXAPBXYIZZRMKW-MRVPVSSYSA-N -1 0 323.357 -0.123 20 0 DBADRM CCCCC(=O)NC[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001577416275 1020061934 /nfs/dbraw/zinc/06/19/34/1020061934.db2.gz FEZBSRAAXIUGIA-SECBINFHSA-N -1 0 320.357 -0.842 20 0 DBADRM CCN(CCCNC(C)=O)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001577435743 1020064587 /nfs/dbraw/zinc/06/45/87/1020064587.db2.gz XNKNPOXFUXJIAB-UHFFFAOYSA-N -1 0 311.342 -0.410 20 0 DBADRM CCN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C(F)F ZINC001577613165 1020085105 /nfs/dbraw/zinc/08/51/05/1020085105.db2.gz SLSMQQXVMRLQCY-UHFFFAOYSA-N -1 0 319.268 -0.484 20 0 DBADRM CCN(c1ccnc(-c2nnn[n-]2)n1)[C@H](C)CNC(=O)COC ZINC001578192721 1020200517 /nfs/dbraw/zinc/20/05/17/1020200517.db2.gz ZYJCHWGGBNNMQP-SECBINFHSA-N -1 0 320.357 -0.366 20 0 DBADRM CCN1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[nH]n2)CC1=O ZINC001578214406 1020204685 /nfs/dbraw/zinc/20/46/85/1020204685.db2.gz AACXIKQNWXSMMJ-ZETCQYMHSA-N -1 0 319.329 -0.658 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001578227840 1020204907 /nfs/dbraw/zinc/20/49/07/1020204907.db2.gz XEARMYOQLUNPNL-MRVPVSSYSA-N -1 0 318.341 -0.686 20 0 DBADRM CCN1C[C@H](NC(=O)Cc2noc(C)c2-c2nn[nH]n2)CC1=O ZINC001578215210 1020205190 /nfs/dbraw/zinc/20/51/90/1020205190.db2.gz KOEGJNOKBRDJDV-MRVPVSSYSA-N -1 0 319.325 -0.557 20 0 DBADRM CCOCC(=O)N[C@@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001578363900 1020221310 /nfs/dbraw/zinc/22/13/10/1020221310.db2.gz GBVHHYXVLBMLJF-SNVBAGLBSA-N -1 0 317.353 -0.007 20 0 DBADRM CCS(=O)(=O)CC(=O)NCc1ccnc(-c2nn[nH]n2)c1 ZINC001578411267 1020230759 /nfs/dbraw/zinc/23/07/59/1020230759.db2.gz JSMDHNKVUPMGJT-UHFFFAOYSA-N -1 0 310.339 -0.687 20 0 DBADRM CC[C@@H]1OCC[C@H]1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001578444193 1020241101 /nfs/dbraw/zinc/24/11/01/1020241101.db2.gz LVIMGLLKUIKLBW-BDAKNGLRSA-N -1 0 321.345 -0.675 20 0 DBADRM CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)OC ZINC001578474768 1020245991 /nfs/dbraw/zinc/24/59/91/1020245991.db2.gz SSUHZLBGVKYOGD-LURJTMIESA-N -1 0 315.311 -0.310 20 0 DBADRM CCc1c[nH]c(Sc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)n1 ZINC001578495052 1020247287 /nfs/dbraw/zinc/24/72/87/1020247287.db2.gz ZCTZYJAQZIKJNB-UHFFFAOYSA-N -1 0 320.338 -0.310 20 0 DBADRM CCc1onc(C)c1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001578727916 1020286976 /nfs/dbraw/zinc/28/69/76/1020286976.db2.gz HCVXPEXVFCRTHD-UHFFFAOYSA-N -1 0 317.313 -0.367 20 0 DBADRM CCn1ncc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1C ZINC001578823379 1020311982 /nfs/dbraw/zinc/31/19/82/1020311982.db2.gz OFUOFDJUUHWXBR-UHFFFAOYSA-N -1 0 302.302 -0.378 20 0 DBADRM CN(CC(N)=O)S(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001579021103 1020353868 /nfs/dbraw/zinc/35/38/68/1020353868.db2.gz IUAFWIPXDHOVLY-UHFFFAOYSA-N -1 0 314.302 -0.888 20 0 DBADRM CN(CCNC(=O)[C@@H]1CC1(F)F)c1ccnc(-c2nnn[n-]2)n1 ZINC001579167103 1020388406 /nfs/dbraw/zinc/38/84/06/1020388406.db2.gz OURAGTRVGJTZKW-ZETCQYMHSA-N -1 0 324.295 -0.136 20 0 DBADRM CN(CCNC(=O)c1ccon1)c1nccnc1-c1nn[nH]n1 ZINC001579201264 1020389598 /nfs/dbraw/zinc/38/95/98/1020389598.db2.gz GJZJWKDEEOHKCD-UHFFFAOYSA-N -1 0 315.297 -0.489 20 0 DBADRM CN(CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)Cc1cnon1 ZINC001579197145 1020390859 /nfs/dbraw/zinc/39/08/59/1020390859.db2.gz AHDXXDIUDLPMIH-UHFFFAOYSA-N -1 0 317.313 -0.560 20 0 DBADRM CN(CCNC(=O)c1cocn1)c1nccnc1-c1nn[nH]n1 ZINC001579203924 1020391976 /nfs/dbraw/zinc/39/19/76/1020391976.db2.gz WWBHDKSPLWJUQB-UHFFFAOYSA-N -1 0 315.297 -0.489 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)C1CCC1 ZINC001579214479 1020393742 /nfs/dbraw/zinc/39/37/42/1020393742.db2.gz ZYSMUONENFLDDN-UHFFFAOYSA-N -1 0 302.342 -0.251 20 0 DBADRM CN(Cc1cn(C)nn1)C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001579261662 1020401658 /nfs/dbraw/zinc/40/16/58/1020401658.db2.gz YQPFCZQFOYMGBP-UHFFFAOYSA-N -1 0 314.309 -0.027 20 0 DBADRM CN(Cc1ncc[nH]1)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001579265474 1020402155 /nfs/dbraw/zinc/40/21/55/1020402155.db2.gz HZBBKPWKAAZNNS-UHFFFAOYSA-N -1 0 320.338 -0.195 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)Nc2c[nH]nc2-c2nnn[n-]2)C[C@H]1C ZINC001579471965 1020467318 /nfs/dbraw/zinc/46/73/18/1020467318.db2.gz AGXYZRGSONQZGF-SLBFFKMLSA-N -1 0 321.297 -0.505 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001579467602 1020468904 /nfs/dbraw/zinc/46/89/04/1020468904.db2.gz AOUFDANFRXZPQC-PRJMDXOYSA-N -1 0 320.313 -0.913 20 0 DBADRM COC(=O)c1cc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)no1 ZINC001579476404 1020472324 /nfs/dbraw/zinc/47/23/24/1020472324.db2.gz IUGVLCABCCBUDV-UHFFFAOYSA-N -1 0 304.226 -0.383 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(COC(=O)N(C)C)c1 ZINC001579477546 1020472719 /nfs/dbraw/zinc/47/27/19/1020472719.db2.gz RAQLDEHYMNLSSR-UHFFFAOYSA-N -1 0 322.281 -0.529 20 0 DBADRM COC(=O)c1csc(Cn2cncc(-c3nnn[n-]3)c2=O)n1 ZINC001579491281 1020477865 /nfs/dbraw/zinc/47/78/65/1020477865.db2.gz FGLFYYQGNZVJBT-UHFFFAOYSA-N -1 0 319.306 -0.285 20 0 DBADRM CO[C@@H](C)C(=O)N(C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579532966 1020479790 /nfs/dbraw/zinc/47/97/90/1020479790.db2.gz OAOZMRNRRSZLDE-QMMMGPOBSA-N -1 0 321.341 -0.582 20 0 DBADRM CO[C@@H](C)C(=O)N(C)CCN(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001579533298 1020480369 /nfs/dbraw/zinc/48/03/69/1020480369.db2.gz QVYANKMEKFNGKX-VIFPVBQESA-N -1 0 320.357 -0.414 20 0 DBADRM CO[C@@H](C)C(=O)N1CC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579533170 1020481611 /nfs/dbraw/zinc/48/16/11/1020481611.db2.gz QNQFIEKAAVDQGH-ZETCQYMHSA-N -1 0 319.325 -0.830 20 0 DBADRM CO[C@H](C)C(=O)NC[C@H](C)CNc1nccnc1-c1nn[nH]n1 ZINC001579543514 1020486909 /nfs/dbraw/zinc/48/69/09/1020486909.db2.gz ASIGDDNSNGZEIV-RKDXNWHRSA-N -1 0 320.357 -0.144 20 0 DBADRM CO[C@H](C)C(=O)NC[C@@H](C)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001579543545 1020487593 /nfs/dbraw/zinc/48/75/93/1020487593.db2.gz AYNZKBLXIMQCSD-DTWKUNHWSA-N -1 0 320.357 -0.144 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001579543878 1020487940 /nfs/dbraw/zinc/48/79/40/1020487940.db2.gz CLFGWTROGZDDRM-UWVGGRQHSA-N -1 0 317.353 -0.009 20 0 DBADRM CO[C@@](C)([C@@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001579534130 1020488358 /nfs/dbraw/zinc/48/83/58/1020488358.db2.gz OKLCDTJJAWBERY-OQPBUACISA-N -1 0 320.357 -0.222 20 0 DBADRM CO[C@H](C)C(=O)N[C@H](C)CCNc1cncc(-c2nn[nH]n2)n1 ZINC001579540878 1020488936 /nfs/dbraw/zinc/48/89/36/1020488936.db2.gz WXGXJDNZJIOUTN-RKDXNWHRSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579538696 1020488984 /nfs/dbraw/zinc/48/89/84/1020488984.db2.gz BTNZPNQRXJXXRE-JGVFFNPUSA-N -1 0 321.341 -0.536 20 0 DBADRM COC1(OC)CC(NC(=O)Nc2nn(C)cc2-c2nn[nH]n2)C1 ZINC001579602932 1020500471 /nfs/dbraw/zinc/50/04/71/1020500471.db2.gz ZFGYQMVTZWJYCF-UHFFFAOYSA-N -1 0 322.329 -0.127 20 0 DBADRM COCC(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001579623761 1020504893 /nfs/dbraw/zinc/50/48/93/1020504893.db2.gz KJIIQLZFAAQEKA-BDAKNGLRSA-N -1 0 318.341 -0.438 20 0 DBADRM COCC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579620785 1020505481 /nfs/dbraw/zinc/50/54/81/1020505481.db2.gz ORMTWMQPTAKVMO-SECBINFHSA-N -1 0 318.341 -0.660 20 0 DBADRM COCC(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001579623779 1020507260 /nfs/dbraw/zinc/50/72/60/1020507260.db2.gz LGBALPKXWXXDGT-WCBMZHEXSA-N -1 0 318.341 -0.438 20 0 DBADRM COCC(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nn[nH]n1 ZINC001579623407 1020507294 /nfs/dbraw/zinc/50/72/94/1020507294.db2.gz MPIGTJDGGBUQGX-VIFPVBQESA-N -1 0 321.341 -0.861 20 0 DBADRM COCC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579623212 1020507664 /nfs/dbraw/zinc/50/76/64/1020507664.db2.gz GQXPLXFVKLCPLK-PSASIEDQSA-N -1 0 318.341 -0.438 20 0 DBADRM COCC(=O)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001579629228 1020512479 /nfs/dbraw/zinc/51/24/79/1020512479.db2.gz ZEUVJZQRSVYKLE-IUCAKERBSA-N -1 0 318.341 -0.874 20 0 DBADRM COC[C@@H](C)C(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001579676649 1020531547 /nfs/dbraw/zinc/53/15/47/1020531547.db2.gz VZQOKRPHQHEXRG-SECBINFHSA-N -1 0 320.357 -0.508 20 0 DBADRM COC[C@H](CNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C)OC ZINC001579697912 1020536636 /nfs/dbraw/zinc/53/66/36/1020536636.db2.gz UNSMAGRGISWZLI-QMMMGPOBSA-N -1 0 322.325 -0.333 20 0 DBADRM COCCC(=O)N[C@H](C)CN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001579761576 1020547413 /nfs/dbraw/zinc/54/74/13/1020547413.db2.gz UWOLKVGUJJBNOS-SECBINFHSA-N -1 0 320.357 -0.366 20 0 DBADRM COCCn1cc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)nn1 ZINC001579820765 1020567699 /nfs/dbraw/zinc/56/76/99/1020567699.db2.gz GTWBKPKUJIFHHF-UHFFFAOYSA-N -1 0 304.274 -0.920 20 0 DBADRM CC(=O)NC1CC(CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001508330689 1020569239 /nfs/dbraw/zinc/56/92/39/1020569239.db2.gz UADLWVXDFTWNEG-UHFFFAOYSA-N -1 0 309.326 -0.754 20 0 DBADRM COc1cc(CNC(=O)[C@H]2C[C@H]2C(N)=O)ccc1-c1nn[nH]n1 ZINC001579926237 1020597148 /nfs/dbraw/zinc/59/71/48/1020597148.db2.gz QZHWXEVVHPAJNM-ZJUUUORDSA-N -1 0 316.321 -0.387 20 0 DBADRM COc1cc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n(C)n1 ZINC001579933232 1020598746 /nfs/dbraw/zinc/59/87/46/1020598746.db2.gz RKUDCVTWAXHNSY-LURJTMIESA-N -1 0 318.301 -0.600 20 0 DBADRM CCCCC(=O)N[C@@H](C)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001508489415 1020602321 /nfs/dbraw/zinc/60/23/21/1020602321.db2.gz VUQMEWSCTWCVPC-IUCAKERBSA-N -1 0 313.358 -0.111 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NC(=O)Cn2nccn2)c1[O-] ZINC001508542292 1020623776 /nfs/dbraw/zinc/62/37/76/1020623776.db2.gz XTAVTZFEJPUVNB-YUMQZZPRSA-N -1 0 321.341 -0.662 20 0 DBADRM CC(C)=CC(=O)N1CC[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001580012036 1020626306 /nfs/dbraw/zinc/62/63/06/1020626306.db2.gz BZDOTISKFDGALT-JTQLQIEISA-N -1 0 323.353 -0.380 20 0 DBADRM COc1ccc(CNC(=O)Cn2cc(-c3nnn[n-]3)nn2)cc1 ZINC001580011012 1020626484 /nfs/dbraw/zinc/62/64/84/1020626484.db2.gz FFKVEYXKZRGASX-UHFFFAOYSA-N -1 0 314.309 -0.217 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNC(=O)Cn2cccn2)c1[O-] ZINC001508738015 1020658843 /nfs/dbraw/zinc/65/88/43/1020658843.db2.gz XXQAQOQLZXFDOF-VIFPVBQESA-N -1 0 320.353 -0.103 20 0 DBADRM CS[C@@H](C)C(=O)NCCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001580189388 1020664009 /nfs/dbraw/zinc/66/40/09/1020664009.db2.gz JUDBXWBZMGTQSE-QMMMGPOBSA-N -1 0 322.398 -0.252 20 0 DBADRM CS[C@@H]1CCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001580204586 1020667690 /nfs/dbraw/zinc/66/76/90/1020667690.db2.gz KORYQGIPTCLDHN-MRVPVSSYSA-N -1 0 323.386 -0.395 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)N2CC(CO)C2)cc1-c1nnn[n-]1 ZINC001580231256 1020671612 /nfs/dbraw/zinc/67/16/12/1020671612.db2.gz OZNQVBXEJJAGNA-UHFFFAOYSA-N -1 0 322.350 -0.247 20 0 DBADRM C[C@@H]1CC[C@@H](O)CN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001580315922 1020687092 /nfs/dbraw/zinc/68/70/92/1020687092.db2.gz XYVJHNHRTZSUOJ-RKDXNWHRSA-N -1 0 321.345 -0.987 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1ccc[nH]1 ZINC001580416369 1020710297 /nfs/dbraw/zinc/71/02/97/1020710297.db2.gz BLCOARDENYFITC-MRVPVSSYSA-N -1 0 313.325 -0.363 20 0 DBADRM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)c1cnccn1 ZINC001580441248 1020714096 /nfs/dbraw/zinc/71/40/96/1020714096.db2.gz LNQWZZUSLFMTLV-LURJTMIESA-N -1 0 315.297 -0.371 20 0 DBADRM C[C@@H](CNC(=O)CCCF)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001509018691 1020725678 /nfs/dbraw/zinc/72/56/78/1020725678.db2.gz YTUCBZLQDYUZAU-QMMMGPOBSA-N -1 0 317.321 -0.598 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1C[C@@H](O)C2(CC2)C1 ZINC001580597177 1020758846 /nfs/dbraw/zinc/75/88/46/1020758846.db2.gz DKGKVOWEYUIFRD-SECBINFHSA-N -1 0 316.321 -0.127 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N(CC(N)=O)C(C)C ZINC001580597929 1020760051 /nfs/dbraw/zinc/76/00/51/1020760051.db2.gz OGBWXXZJRGXWMC-UHFFFAOYSA-N -1 0 319.325 -0.388 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@H](C)c1nc[nH]n1 ZINC001580601115 1020763475 /nfs/dbraw/zinc/76/34/75/1020763475.db2.gz JBLJLSAMPDWYPQ-ZCFIWIBFSA-N -1 0 315.297 -0.115 20 0 DBADRM CC(=O)N1CC([C@H](C)NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001509481040 1020795486 /nfs/dbraw/zinc/79/54/86/1020795486.db2.gz NRYCTCGHOOLXNV-QMMMGPOBSA-N -1 0 318.337 -0.946 20 0 DBADRM CNC(=O)CCCC(=O)NC[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001509884072 1020821038 /nfs/dbraw/zinc/82/10/38/1020821038.db2.gz FZQOTNVTCDFUIJ-MGCOHNPYSA-N -1 0 322.369 -0.654 20 0 DBADRM Cc1[nH]nc(NC(=O)[C@@H](NC(N)=O)C(C)(C)C)c1-c1nn[nH]n1 ZINC001581401204 1020833478 /nfs/dbraw/zinc/83/34/78/1020833478.db2.gz CVDPSIAVVRVCHU-SSDOTTSWSA-N -1 0 321.345 -0.080 20 0 DBADRM Cc1nc([C@@H](C)Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)no1 ZINC001581438789 1020835717 /nfs/dbraw/zinc/83/57/17/1020835717.db2.gz ZWTWSSGBSWHKMR-SCSAIBSYSA-N -1 0 319.285 -0.469 20 0 DBADRM Cc1nc(CNc2ccnc(-c3nnn[n-]3)n2)sc1C(N)=O ZINC001581454434 1020835888 /nfs/dbraw/zinc/83/58/88/1020835888.db2.gz ZKOKMCFTHDJPRN-UHFFFAOYSA-N -1 0 317.338 -0.445 20 0 DBADRM C/C=C(\C)C(=O)N(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001581499799 1020837446 /nfs/dbraw/zinc/83/74/46/1020837446.db2.gz UJHLWNHPTBZAFG-FPYGCLRLSA-N -1 0 321.337 -0.030 20 0 DBADRM Cn1c(=O)[nH]c(NCC(C)(C)CCO)c(-c2nnn[n-]2)c1=O ZINC001581747933 1020844410 /nfs/dbraw/zinc/84/44/10/1020844410.db2.gz KRVFVARADSPZDU-UHFFFAOYSA-N -1 0 309.330 -0.514 20 0 DBADRM Cn1c(=O)[nH]c(NCC(=O)OC(C)(C)C)c(-c2nnn[n-]2)c1=O ZINC001581747754 1020844793 /nfs/dbraw/zinc/84/47/93/1020844793.db2.gz IEQFJXYXKAYMDY-UHFFFAOYSA-N -1 0 323.313 -0.580 20 0 DBADRM NC(=O)C1CN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001581890540 1020856895 /nfs/dbraw/zinc/85/68/95/1020856895.db2.gz OAUDDKWHTPKQFD-UHFFFAOYSA-N -1 0 314.352 -0.966 20 0 DBADRM CCC(=CC(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)CC ZINC001581972730 1020865385 /nfs/dbraw/zinc/86/53/85/1020865385.db2.gz GRRNPZKVRZBELL-UHFFFAOYSA-N -1 0 323.353 -0.237 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCc1ccc(-c2nn[nH]n2)cn1 ZINC001582048831 1020871080 /nfs/dbraw/zinc/87/10/80/1020871080.db2.gz LOOWZXUYRVDVJO-UHFFFAOYSA-N -1 0 314.313 -0.586 20 0 DBADRM O=C(CCCF)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001582041514 1020871332 /nfs/dbraw/zinc/87/13/32/1020871332.db2.gz IXUYFHHIQRLQML-VIFPVBQESA-N -1 0 320.332 -0.159 20 0 DBADRM O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1CC(CO)(CO)C1 ZINC001582057739 1020872257 /nfs/dbraw/zinc/87/22/57/1020872257.db2.gz SNGQPBCUSRAOIT-UHFFFAOYSA-N -1 0 317.349 -0.388 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001510680936 1020875910 /nfs/dbraw/zinc/87/59/10/1020875910.db2.gz QUEPGZIEHHESOL-IVGLGHLBSA-N -1 0 309.326 -0.174 20 0 DBADRM O=C(CSCc1ccc(-c2nn[nH]n2)cc1)NC[C@@H](O)CO ZINC001582132664 1020879276 /nfs/dbraw/zinc/87/92/76/1020879276.db2.gz SVQWAMRVZGXPLM-LLVKDONJSA-N -1 0 323.378 -0.431 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1nc(C2CC2)no1 ZINC001582199585 1020884920 /nfs/dbraw/zinc/88/49/20/1020884920.db2.gz PYBSIHLHZAGVBH-UHFFFAOYSA-N -1 0 316.285 -0.965 20 0 DBADRM O=C(N1CCc2ccc(-c3nn[nH]n3)cc21)[C@@]1(O)CCOC1 ZINC001582216849 1020886052 /nfs/dbraw/zinc/88/60/52/1020886052.db2.gz JSUJYHXKSHNGTD-CQSZACIVSA-N -1 0 301.306 -0.093 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1CC12CC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001510806125 1020887235 /nfs/dbraw/zinc/88/72/35/1020887235.db2.gz YAWVGEWLVGUVKV-BDAKNGLRSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001582528573 1020904671 /nfs/dbraw/zinc/90/46/71/1020904671.db2.gz BAJXKBGNUWPUBW-UTLUCORTSA-N -1 0 317.357 -0.054 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1nnc(C2CC2)o1 ZINC001582528657 1020905860 /nfs/dbraw/zinc/90/58/60/1020905860.db2.gz HAXUOJSDEWIOIE-UHFFFAOYSA-N -1 0 316.285 -0.851 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccnc(-c2nn[nH]n2)c1 ZINC001582558304 1020909849 /nfs/dbraw/zinc/90/98/49/1020909849.db2.gz REQKUEIFAAKYOU-UHFFFAOYSA-N -1 0 302.258 -0.593 20 0 DBADRM CC/C(C)=C\C(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001510921264 1020946330 /nfs/dbraw/zinc/94/63/30/1020946330.db2.gz HGNRFOJVFQTCDP-NVDWLVSRSA-N -1 0 310.354 -0.013 20 0 DBADRM C/C(=C/C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001582989085 1020951407 /nfs/dbraw/zinc/95/14/07/1020951407.db2.gz DFGFOIOQVPVMMD-OFSNVTPPSA-N -1 0 322.365 -0.013 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCn1cnc2ccccc21 ZINC001583688969 1021002000 /nfs/dbraw/zinc/00/20/00/1021002000.db2.gz CXGBLCHFJBFNNE-UHFFFAOYSA-N -1 0 302.294 -0.145 20 0 DBADRM C[C@@H](CNC(=O)/C=C/C1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001584276430 1021016302 /nfs/dbraw/zinc/01/63/02/1021016302.db2.gz MFLVHYWLHLFEGH-ZJELKQJVSA-N -1 0 309.326 -0.724 20 0 DBADRM O=C(C=C1CCC1)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001584629246 1021026254 /nfs/dbraw/zinc/02/62/54/1021026254.db2.gz NTOVXLMWJKMOCH-SNVBAGLBSA-N -1 0 321.337 -0.483 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001511235707 1021033177 /nfs/dbraw/zinc/03/31/77/1021033177.db2.gz PHNQITZZAQZNPI-OIBJUYFYSA-N -1 0 323.353 -0.721 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001511272062 1021036877 /nfs/dbraw/zinc/03/68/77/1021036877.db2.gz BVMGSRCTUZTABZ-YXCTTXFESA-N -1 0 323.353 -0.239 20 0 DBADRM Cc1cn2nnc(C(=O)[N-]N3C(=O)[C@@H](C)N(C)C3=O)c2c(=O)[nH]1 ZINC001585139039 1021046613 /nfs/dbraw/zinc/04/66/13/1021046613.db2.gz XUCHQWCMULBWMW-ZCFIWIBFSA-N -1 0 319.281 -0.934 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2ccccc2OCC(N)=O)C(=O)N1C ZINC001585138324 1021046648 /nfs/dbraw/zinc/04/66/48/1021046648.db2.gz QILBRLXLCNNFSJ-QMMMGPOBSA-N -1 0 320.305 -0.522 20 0 DBADRM C[C@@]1(CCCC(=O)N2CC[C@@H](c3nnn[n-]3)C2)NC(=O)NC1=O ZINC001588217327 1021086930 /nfs/dbraw/zinc/08/69/30/1021086930.db2.gz FETIUDKFYKFIMF-OQPBUACISA-N -1 0 321.341 -0.716 20 0 DBADRM CC(=O)N1CCCN(C(=O)C(=O)NCCCCC(=O)[O-])CC1 ZINC001588495893 1021106740 /nfs/dbraw/zinc/10/67/40/1021106740.db2.gz YRFFIJLVJQTBQM-UHFFFAOYSA-N -1 0 313.354 -0.562 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC001588571353 1021117182 /nfs/dbraw/zinc/11/71/82/1021117182.db2.gz WVTNTBPRMAEHJI-PHDIDXHHSA-N -1 0 320.289 -0.354 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)C2(C(=O)[O-])CCOCC2)CCO1 ZINC001588502081 1021107465 /nfs/dbraw/zinc/10/74/65/1021107465.db2.gz MQTRRAXLRODLPS-LLVKDONJSA-N -1 0 314.338 -0.769 20 0 DBADRM CC(=O)N1CCC[C@@H](Cn2nnnc2N2CC[C@H](C(=O)[O-])C2)C1 ZINC001588494112 1021107550 /nfs/dbraw/zinc/10/75/50/1021107550.db2.gz HANGAUWBLRYXTB-NEPJUHHUSA-N -1 0 322.369 -0.158 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1ccn(C)n1)[C@H](C)C(=O)[O-] ZINC001588506840 1021108241 /nfs/dbraw/zinc/10/82/41/1021108241.db2.gz SPWDHSADXWZHTI-SNVBAGLBSA-N -1 0 310.354 -0.210 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)CCC(=O)[O-])C1 ZINC001588502463 1021108269 /nfs/dbraw/zinc/10/82/69/1021108269.db2.gz UJWOYWWMHFANCP-JTQLQIEISA-N -1 0 300.311 -0.479 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCCN(C)C1=O)[C@@H](C)C(=O)[O-] ZINC001588506388 1021108273 /nfs/dbraw/zinc/10/82/73/1021108273.db2.gz HMQZQLWNADQZHY-GXSJLCMTSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCc2nc[nH]c2C1)[C@@H](C)C(=O)[O-] ZINC001588506709 1021108467 /nfs/dbraw/zinc/10/84/67/1021108467.db2.gz NXAFUIIFSNHJIN-GXSJLCMTSA-N -1 0 322.365 -0.048 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1ncccn1)[C@H](C)C(=O)[O-] ZINC001588506037 1021108722 /nfs/dbraw/zinc/10/87/22/1021108722.db2.gz ACRCCMRNHBZGAP-SNVBAGLBSA-N -1 0 308.338 -0.153 20 0 DBADRM CC(=O)NC[C@@H]1CCCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001588502648 1021108753 /nfs/dbraw/zinc/10/87/53/1021108753.db2.gz ZZUFGDCKVNZLIK-JTQLQIEISA-N -1 0 309.326 -0.507 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@@H](C)C(=O)[O-] ZINC001588507812 1021109042 /nfs/dbraw/zinc/10/90/42/1021109042.db2.gz SNAHARFCOHNYLH-GDPRMGEGSA-N -1 0 313.354 -0.674 20 0 DBADRM CC(=O)NCCN(C(=O)CS(=O)(=O)C1CC1)[C@H](C)C(=O)[O-] ZINC001588507559 1021109203 /nfs/dbraw/zinc/10/92/03/1021109203.db2.gz KHSFWCLGTBIFJU-MRVPVSSYSA-N -1 0 320.367 -0.999 20 0 DBADRM CC(=O)NCCN(C(=O)C1=C[S@](=O)CCC1)[C@@H](C)C(=O)[O-] ZINC001588506107 1021109214 /nfs/dbraw/zinc/10/92/14/1021109214.db2.gz DAIUCMFVWJUCFX-JLTPVHFHSA-N -1 0 316.379 -0.149 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCCN(C)C1=O)[C@H](C)C(=O)[O-] ZINC001588506390 1021109233 /nfs/dbraw/zinc/10/92/33/1021109233.db2.gz HMQZQLWNADQZHY-MWLCHTKSSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1cncn1C)[C@H](C)C(=O)[O-] ZINC001588506351 1021109388 /nfs/dbraw/zinc/10/93/88/1021109388.db2.gz FSRPWBARBRUMAI-SNVBAGLBSA-N -1 0 310.354 -0.210 20 0 DBADRM CC(=O)NCCN(C(=O)c1coc(C(N)=O)c1)[C@H](C)C(=O)[O-] ZINC001588508227 1021109465 /nfs/dbraw/zinc/10/94/65/1021109465.db2.gz FRVAHMXPZMUFDO-SSDOTTSWSA-N -1 0 311.294 -0.570 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1)C(N)=O ZINC001588515341 1021110669 /nfs/dbraw/zinc/11/06/69/1021110669.db2.gz MTHUSTGKYGGHSD-AAEUAGOBSA-N -1 0 321.333 -0.383 20 0 DBADRM CC(=O)NCCN(CCS(=O)(=O)C(C)C)[C@H](C)C(=O)[O-] ZINC001588513197 1021110746 /nfs/dbraw/zinc/11/07/46/1021110746.db2.gz IZJSSIQRWCVUKS-SNVBAGLBSA-N -1 0 308.400 -0.279 20 0 DBADRM CC(=O)NCCN(CC(=O)NCc1ccccn1)[C@H](C)C(=O)[O-] ZINC001588512980 1021111149 /nfs/dbraw/zinc/11/11/49/1021111149.db2.gz GGNPNLDGJDIYNM-LLVKDONJSA-N -1 0 322.365 -0.391 20 0 DBADRM CC(=O)c1cnccc1NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001588534372 1021112615 /nfs/dbraw/zinc/11/26/15/1021112615.db2.gz ZKFBDGXDKYQVHZ-JTQLQIEISA-N -1 0 319.317 -0.032 20 0 DBADRM CC(=O)c1cn(CC(=O)N[C@@H](C(=O)[O-])c2ccnn2C)nn1 ZINC001588534233 1021113404 /nfs/dbraw/zinc/11/34/04/1021113404.db2.gz SCVKIMKAYVZGPD-LLVKDONJSA-N -1 0 306.282 -0.844 20 0 DBADRM CC(=O)c1cnccc1NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001588534373 1021113502 /nfs/dbraw/zinc/11/35/02/1021113502.db2.gz ZKFBDGXDKYQVHZ-SNVBAGLBSA-N -1 0 319.317 -0.032 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001588545332 1021114036 /nfs/dbraw/zinc/11/40/36/1021114036.db2.gz QPXJGBUJKGPYPN-SECBINFHSA-N -1 0 322.383 -0.736 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])C1CCOCC1 ZINC001588550917 1021115677 /nfs/dbraw/zinc/11/56/77/1021115677.db2.gz HGNGPTSICHUVQX-ONGXEEELSA-N -1 0 319.379 -0.241 20 0 DBADRM C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)NCCC(=O)[O-] ZINC001588552581 1021115805 /nfs/dbraw/zinc/11/58/05/1021115805.db2.gz VFHWVZYZCYFVDN-QMMMGPOBSA-N -1 0 301.343 -0.661 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 ZINC001588580570 1021116888 /nfs/dbraw/zinc/11/68/88/1021116888.db2.gz RENHMMRNPREXIF-QMMMGPOBSA-N -1 0 317.319 -0.023 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC001588570594 1021117383 /nfs/dbraw/zinc/11/73/83/1021117383.db2.gz RNSOLCOLBKRULF-NXEZZACHSA-N -1 0 308.338 -0.252 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001588566430 1021118038 /nfs/dbraw/zinc/11/80/38/1021118038.db2.gz XARBKLSENLHYSV-VHSXEESVSA-N -1 0 306.384 -0.163 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001588576231 1021118244 /nfs/dbraw/zinc/11/82/44/1021118244.db2.gz PGNQHMIZMIJVOK-YIZRAAEISA-N -1 0 302.327 -0.197 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)CN(C)S(=O)(=O)N(C)C)C1CC1 ZINC001588585060 1021118451 /nfs/dbraw/zinc/11/84/51/1021118451.db2.gz VXTUTLPOQYACEO-QMMMGPOBSA-N -1 0 307.372 -0.811 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(N2C(=O)[C@@H]3COCCN3C2=O)n1 ZINC001588620194 1021119163 /nfs/dbraw/zinc/11/91/63/1021119163.db2.gz OLPPJGRDNKMQKL-QMMMGPOBSA-N -1 0 308.294 -0.130 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC001588611343 1021119251 /nfs/dbraw/zinc/11/92/51/1021119251.db2.gz RTBHCCIQZSGDDC-UHFFFAOYSA-N -1 0 306.384 -0.115 20 0 DBADRM CC(C)(C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC001588610055 1021120094 /nfs/dbraw/zinc/12/00/94/1021120094.db2.gz LFGXFPQLBLGPAQ-UFBFGSQYSA-N -1 0 305.352 -0.631 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)CN2CCOCC2=O)cn1 ZINC001588617623 1021120334 /nfs/dbraw/zinc/12/03/34/1021120334.db2.gz XRBHTBJIJVEPRQ-UHFFFAOYSA-N -1 0 310.310 -0.500 20 0 DBADRM CC(C)(C)[C@H](O)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588638825 1021121089 /nfs/dbraw/zinc/12/10/89/1021121089.db2.gz JSYQVYIRWCFHCV-GXSJLCMTSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(N2C(=O)[C@@H]3C[C@@H](O)CN3C2=O)n1 ZINC001588620395 1021121690 /nfs/dbraw/zinc/12/16/90/1021121690.db2.gz TWGQZRHTCPRGMR-SFYZADRCSA-N -1 0 308.294 -0.395 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001588630885 1021121860 /nfs/dbraw/zinc/12/18/60/1021121860.db2.gz MUQYTJCILMSHPS-SECBINFHSA-N -1 0 314.338 -0.233 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@@H](CO)CN1CCOCC1 ZINC001588634399 1021122482 /nfs/dbraw/zinc/12/24/82/1021122482.db2.gz BIGNDXXZYRGJCX-MNOVXSKESA-N -1 0 302.371 -0.457 20 0 DBADRM C=C1c2ccccc2C(=O)N1CC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001588650916 1021123581 /nfs/dbraw/zinc/12/35/81/1021123581.db2.gz SYYCZHLMTQEBOO-UHFFFAOYSA-N -1 0 302.286 -0.229 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001588651549 1021124058 /nfs/dbraw/zinc/12/40/58/1021124058.db2.gz PJJBRZSDZAWRAF-VHSXEESVSA-N -1 0 312.322 -0.504 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001588655060 1021124491 /nfs/dbraw/zinc/12/44/91/1021124491.db2.gz NVSRDKZKCSETOM-JTQLQIEISA-N -1 0 321.337 -0.216 20 0 DBADRM CC(C)(C)CN(CC(=O)[O-])CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001588655711 1021125008 /nfs/dbraw/zinc/12/50/08/1021125008.db2.gz JFSWKXNABVENCM-JTQLQIEISA-N -1 0 320.411 -0.278 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001588665725 1021127130 /nfs/dbraw/zinc/12/71/30/1021127130.db2.gz RAOIXTMNOSNTQB-MRVPVSSYSA-N -1 0 321.355 -0.950 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001588726156 1021128264 /nfs/dbraw/zinc/12/82/64/1021128264.db2.gz ZVFKPOFZFFYADV-BDAKNGLRSA-N -1 0 318.326 -0.816 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001588725692 1021128333 /nfs/dbraw/zinc/12/83/33/1021128333.db2.gz PDVUUAAYRCPWFS-AMIZOPFISA-N -1 0 318.326 -0.768 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)OCC(=O)C(=O)[O-] ZINC001588726098 1021129128 /nfs/dbraw/zinc/12/91/28/1021129128.db2.gz XOSNRXCIWAOGEM-APPZFPTMSA-N -1 0 317.294 -0.135 20 0 DBADRM CC(C)(O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001588796230 1021132699 /nfs/dbraw/zinc/13/26/99/1021132699.db2.gz XETHLNYZJDSROH-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC001588799194 1021132880 /nfs/dbraw/zinc/13/28/80/1021132880.db2.gz LZOXFDKHESZESH-UHFFFAOYSA-N -1 0 309.326 -0.697 20 0 DBADRM CC(C)(O)CCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588795251 1021133292 /nfs/dbraw/zinc/13/32/92/1021133292.db2.gz DSSZUFHYUFQZON-WDEREUQCSA-N -1 0 312.366 -0.167 20 0 DBADRM CC(C)(O)[C@H]1CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001588796093 1021133691 /nfs/dbraw/zinc/13/36/91/1021133691.db2.gz SELYXQGNIAUHSJ-QWRGUYRKSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)(O)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001588796231 1021133704 /nfs/dbraw/zinc/13/37/04/1021133704.db2.gz XETHLNYZJDSROH-MNOVXSKESA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 ZINC001588803814 1021134476 /nfs/dbraw/zinc/13/44/76/1021134476.db2.gz IWZCSBQZYBKTFG-UWVGGRQHSA-N -1 0 307.368 -0.385 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)OCC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001588812650 1021134735 /nfs/dbraw/zinc/13/47/35/1021134735.db2.gz GZRXXOFVPXDAKO-SCZZXKLOSA-N -1 0 306.336 -0.110 20 0 DBADRM CC(C)[C@@](C)(O)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588813533 1021134844 /nfs/dbraw/zinc/13/48/44/1021134844.db2.gz XUEHOWOPMNSHTJ-IINYFYTJSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(=O)N1CC[C@](C)(CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001588810756 1021135582 /nfs/dbraw/zinc/13/55/82/1021135582.db2.gz IQIBSKINNFDZFJ-CYBMUJFWSA-N -1 0 302.342 -0.251 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC(F)(F)C[C@H]1CO)C(=O)[O-] ZINC001588815143 1021135690 /nfs/dbraw/zinc/13/56/90/1021135690.db2.gz DISRWDPYLFWNKS-DTWKUNHWSA-N -1 0 322.308 -0.312 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC001588803837 1021135698 /nfs/dbraw/zinc/13/56/98/1021135698.db2.gz JIDNMINKFHSRRN-ZYTOWTHASA-N -1 0 311.338 -0.020 20 0 DBADRM CC(C)[C@H](CCO)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001588815561 1021136560 /nfs/dbraw/zinc/13/65/60/1021136560.db2.gz RAKMYGJXXKSICR-JTQLQIEISA-N -1 0 321.395 -0.211 20 0 DBADRM CC(C)[C@@H](CCO)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001588815562 1021136937 /nfs/dbraw/zinc/13/69/37/1021136937.db2.gz RAKMYGJXXKSICR-SNVBAGLBSA-N -1 0 321.395 -0.211 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(F)(F)C(=O)N1CCOCC1)C(=O)[O-] ZINC001588817133 1021137136 /nfs/dbraw/zinc/13/71/36/1021137136.db2.gz WROFAWURMZQVJV-SECBINFHSA-N -1 0 322.308 -0.047 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@](C)(CO)C1)C(=O)[O-] ZINC001588815291 1021137208 /nfs/dbraw/zinc/13/72/08/1021137208.db2.gz KIDVCQGTPFSXFE-ZETOZRRWSA-N -1 0 314.382 -0.064 20 0 DBADRM CC(C)C1(O)CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001588839206 1021139107 /nfs/dbraw/zinc/13/91/07/1021139107.db2.gz UOZDFGFMSNWLIZ-UHFFFAOYSA-N -1 0 319.379 -0.505 20 0 DBADRM CC(C)[C@H]1C(=O)NCCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001588837859 1021139353 /nfs/dbraw/zinc/13/93/53/1021139353.db2.gz CENDLTHTVFWIED-LBPRGKRZSA-N -1 0 321.333 -0.471 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N(CC(=O)[O-])CC1CC1 ZINC001588833477 1021139754 /nfs/dbraw/zinc/13/97/54/1021139754.db2.gz BOFBJIGBPNNYLC-LLVKDONJSA-N -1 0 306.384 -0.117 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1)C(=O)[O-] ZINC001588847332 1021142005 /nfs/dbraw/zinc/14/20/05/1021142005.db2.gz MDNCTEVBPIVVEC-JRPNMDOOSA-N -1 0 312.366 -0.167 20 0 DBADRM CC(C)CNC(=O)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001588875902 1021147893 /nfs/dbraw/zinc/14/78/93/1021147893.db2.gz BOVXQXJVZAVHLU-JTQLQIEISA-N -1 0 313.354 -0.802 20 0 DBADRM CC(C)C[C@H](CO)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001588898630 1021149740 /nfs/dbraw/zinc/14/97/40/1021149740.db2.gz NRISQYIAFGIYBS-GHMZBOCLSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(=O)[C@@H]1CCCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001588888501 1021150325 /nfs/dbraw/zinc/15/03/25/1021150325.db2.gz VVPAKMATFHXSMJ-VIFPVBQESA-N -1 0 304.314 -0.572 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)C(=O)NCCCCC(=O)[O-])CC1=O ZINC001588921928 1021150387 /nfs/dbraw/zinc/15/03/87/1021150387.db2.gz SBEWBPUEFKDPHY-JTQLQIEISA-N -1 0 313.354 -0.517 20 0 DBADRM CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)COCC(=O)[O-] ZINC001588912781 1021150964 /nfs/dbraw/zinc/15/09/64/1021150964.db2.gz RUGXDXRNBDETLH-VIFPVBQESA-N -1 0 304.368 -0.144 20 0 DBADRM CC(C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001588923331 1021153235 /nfs/dbraw/zinc/15/32/35/1021153235.db2.gz SAFQGJSAVVFUEA-ZJUUUORDSA-N -1 0 313.354 -0.661 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001588928203 1021153576 /nfs/dbraw/zinc/15/35/76/1021153576.db2.gz RJNGRSPDDYJQME-ZJUUUORDSA-N -1 0 322.383 -0.043 20 0 DBADRM C[C@H](C(=O)N(CCCCO)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588943461 1021155769 /nfs/dbraw/zinc/15/57/69/1021155769.db2.gz OUJUKXPZJFCXNV-SECBINFHSA-N -1 0 320.357 -0.217 20 0 DBADRM C/C(=C\C(=O)N[C@H](Cn1cncn1)C(=O)[O-])c1cnccn1 ZINC001588938368 1021156171 /nfs/dbraw/zinc/15/61/71/1021156171.db2.gz CZDXRTARQMAMIR-VCFDLTMXSA-N -1 0 302.294 -0.259 20 0 DBADRM C[C@@H](C(=O)N(C)[C@@H]1CCSC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588936760 1021157683 /nfs/dbraw/zinc/15/76/83/1021157683.db2.gz RTMNLCKAXOVOQK-JGVFFNPUSA-N -1 0 308.371 -0.017 20 0 DBADRM C[C@@H](C(=O)N(CCO)C1CCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588943012 1021158249 /nfs/dbraw/zinc/15/82/49/1021158249.db2.gz JAEASHDYVAFCJY-QMMMGPOBSA-N -1 0 306.330 -0.607 20 0 DBADRM CC(=CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])CN1CCOCC1 ZINC001588942673 1021159244 /nfs/dbraw/zinc/15/92/44/1021159244.db2.gz QKDABPNFIOFDOP-VKUYVZBCSA-N -1 0 322.365 -0.200 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H]1CCO)n1cnc(-c2nnn[n-]2)n1 ZINC001588955112 1021161802 /nfs/dbraw/zinc/16/18/02/1021161802.db2.gz RKIAQDRIICMOEG-RKDXNWHRSA-N -1 0 306.330 -0.607 20 0 DBADRM C[C@@H](C(=O)N1C[C@@H](O)CC[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001588962549 1021162435 /nfs/dbraw/zinc/16/24/35/1021162435.db2.gz GJCLFOBZNFOMSW-CIUDSAMLSA-N -1 0 306.330 -0.609 20 0 DBADRM C[C@H](C(=O)N1CCCC[C@@H]1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001588957048 1021164197 /nfs/dbraw/zinc/16/41/97/1021164197.db2.gz PHXMGZOPCDBSME-RKDXNWHRSA-N -1 0 306.330 -0.607 20 0 DBADRM C[C@H](C(=O)N1CC[C@]12CCOC2)n1cnc(-c2nnn[n-]2)n1 ZINC001588952747 1021164507 /nfs/dbraw/zinc/16/45/07/1021164507.db2.gz XVIZCLUHUWAUNG-PRHODGIISA-N -1 0 304.314 -0.589 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@]12CCOC2)n1cnc(-c2nnn[n-]2)n1 ZINC001588952749 1021164684 /nfs/dbraw/zinc/16/46/84/1021164684.db2.gz XVIZCLUHUWAUNG-UFBFGSQYSA-N -1 0 304.314 -0.589 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)C1(CO)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588966129 1021167605 /nfs/dbraw/zinc/16/76/05/1021167605.db2.gz VLGWFHDTLONQLL-SFYZADRCSA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@H](C(=O)N[C@H]1CC12CC(O)C2)n1cnc(-c2nnn[n-]2)n1 ZINC001588973664 1021168039 /nfs/dbraw/zinc/16/80/39/1021168039.db2.gz UZVABVMQTWYJDR-CPONLOHJSA-N -1 0 304.314 -0.951 20 0 DBADRM CC(C)c1nc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c[nH]1 ZINC001588975487 1021168368 /nfs/dbraw/zinc/16/83/68/1021168368.db2.gz YZQPGLWLGAKUMM-SECBINFHSA-N -1 0 315.351 -0.143 20 0 DBADRM C[C@@H](C(=O)NC(C)(C)C(C)(C)O)n1cnc(-c2nnn[n-]2)n1 ZINC001588966017 1021169454 /nfs/dbraw/zinc/16/94/54/1021169454.db2.gz RSSYDBFSAYYJRT-ZETCQYMHSA-N -1 0 308.346 -0.315 20 0 DBADRM C/C(=C/CNC(=O)CSCC(=O)N1CCOCC1)C(=O)[O-] ZINC001588966293 1021169748 /nfs/dbraw/zinc/16/97/48/1021169748.db2.gz CQQYNRHBUJZUGO-SGAXSIHGSA-N -1 0 316.379 -0.275 20 0 DBADRM C[C@H](C(=O)NC(C)(C)c1ncc[nH]1)n1cnc(-c2nnn[n-]2)n1 ZINC001588965429 1021171164 /nfs/dbraw/zinc/17/11/64/1021171164.db2.gz DQCCTXJQVDPZLT-SSDOTTSWSA-N -1 0 316.329 -0.206 20 0 DBADRM C[C@@H](C(=O)N[C@H](CO)C1CCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588970516 1021171488 /nfs/dbraw/zinc/17/14/88/1021171488.db2.gz KLJZXBBWAHBJOM-IONNQARKSA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCOC1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588984368 1021172266 /nfs/dbraw/zinc/17/22/66/1021172266.db2.gz ZVNFSMNFWXNQSD-DTWKUNHWSA-N -1 0 320.357 -0.050 20 0 DBADRM C[C@@H](C(=O)NCC1(CO)CCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588978845 1021174459 /nfs/dbraw/zinc/17/44/59/1021174459.db2.gz PONAPTGIHUXSDV-VIFPVBQESA-N -1 0 320.357 -0.312 20 0 DBADRM CC(C)c1nnc2n1CCN(C(=O)C(=O)NCCC(=O)[O-])[C@@H]2C ZINC001588981397 1021175346 /nfs/dbraw/zinc/17/53/46/1021175346.db2.gz NGSVBAAQYRSTAH-SECBINFHSA-N -1 0 323.353 -0.104 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC001588993146 1021175529 /nfs/dbraw/zinc/17/55/29/1021175529.db2.gz MACXNSHIJWFRQD-ZETCQYMHSA-N -1 0 321.289 -0.065 20 0 DBADRM CC(C)n1nnc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001588988528 1021176594 /nfs/dbraw/zinc/17/65/94/1021176594.db2.gz QDMKVBAQYGJHOV-MRVPVSSYSA-N -1 0 310.314 -0.484 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001588997988 1021177784 /nfs/dbraw/zinc/17/77/84/1021177784.db2.gz GTPZPTYXFWRPPM-KXUCPTDWSA-N -1 0 321.399 -0.133 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1cccc2c1CCNC2=O ZINC001588993445 1021177916 /nfs/dbraw/zinc/17/79/16/1021177916.db2.gz PVZZQZVOBQBTAN-MRVPVSSYSA-N -1 0 319.317 -0.110 20 0 DBADRM C[C@@H](C(=O)NCCn1cccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001588996404 1021178125 /nfs/dbraw/zinc/17/81/25/1021178125.db2.gz SEBSBJVUPBRGDH-QMMMGPOBSA-N -1 0 302.302 -0.968 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001588996843 1021178355 /nfs/dbraw/zinc/17/83/55/1021178355.db2.gz LNMOSRUZOJFOKH-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H](C(=O)NCCc1cnoc1)n1cnc(-c2nnn[n-]2)n1 ZINC001588996315 1021178578 /nfs/dbraw/zinc/17/85/78/1021178578.db2.gz QANGILYYHRRZLM-ZETCQYMHSA-N -1 0 303.286 -0.634 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1cccnc1-n1cncn1 ZINC001588993579 1021178621 /nfs/dbraw/zinc/17/86/21/1021178621.db2.gz RHECOGZXAJMWAE-QMMMGPOBSA-N -1 0 318.293 -0.420 20 0 DBADRM C[C@@H](C(=O)NCc1cnccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001588999865 1021179953 /nfs/dbraw/zinc/17/99/53/1021179953.db2.gz PPALTTMCTRZPPT-ZETCQYMHSA-N -1 0 300.286 -0.874 20 0 DBADRM C[C@H](C(=O)NCCc1ccc[nH]1)n1cnc(-c2nnn[n-]2)n1 ZINC001588996363 1021180063 /nfs/dbraw/zinc/18/00/63/1021180063.db2.gz RGYJFZLXHZELKO-MRVPVSSYSA-N -1 0 301.314 -0.294 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001589093751 1021195699 /nfs/dbraw/zinc/19/56/99/1021195699.db2.gz LTLNNOIGWJOTDG-KXUCPTDWSA-N -1 0 302.352 -0.486 20 0 DBADRM C[C@H](C(=O)OC[C@@]1(F)CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001589027250 1021183099 /nfs/dbraw/zinc/18/30/99/1021183099.db2.gz MJMZFZYRTLDPLB-RDDDGLTNSA-N -1 0 311.277 -0.309 20 0 DBADRM C[C@@H](C(=O)O[C@@H]1CCN(CCF)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001589028799 1021184257 /nfs/dbraw/zinc/18/42/57/1021184257.db2.gz YQLHUYZAXWQPQN-DTWKUNHWSA-N -1 0 324.320 -0.394 20 0 DBADRM C[C@H](C(=O)Nc1ccc[n+]([O-])c1)n1cnc(-c2nnn[n-]2)n1 ZINC001589017878 1021185154 /nfs/dbraw/zinc/18/51/54/1021185154.db2.gz LAUIXJXVFMYEML-SSDOTTSWSA-N -1 0 301.270 -0.709 20 0 DBADRM CC(=O)NCc1ccc(C(=O)NC[C@H](O)CC(=O)[O-])s1 ZINC001589145804 1021201418 /nfs/dbraw/zinc/20/14/18/1021201418.db2.gz HXWQTHSQQBRXHE-MRVPVSSYSA-N -1 0 300.336 -0.050 20 0 DBADRM CC(=O)N1CC(C(=O)NCCNc2ncc(C(=O)[O-])cn2)C1 ZINC001589055492 1021187611 /nfs/dbraw/zinc/18/76/11/1021187611.db2.gz CRHVLJBAHOHHBH-UHFFFAOYSA-N -1 0 307.310 -0.819 20 0 DBADRM CC(=O)N1CC(C(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)C1 ZINC001589056510 1021188932 /nfs/dbraw/zinc/18/89/32/1021188932.db2.gz IHQBXEZMYCTXDN-NSHDSACASA-N -1 0 312.322 -0.526 20 0 DBADRM CC(=O)N1CC(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001589055655 1021189093 /nfs/dbraw/zinc/18/90/93/1021189093.db2.gz FWDOHUFTGOXTPI-SNVBAGLBSA-N -1 0 307.310 -0.772 20 0 DBADRM C[C@@H](C(=O)OCc1csnn1)n1cnc(-c2nnn[n-]2)n1 ZINC001589032108 1021189339 /nfs/dbraw/zinc/18/93/39/1021189339.db2.gz HUDDUQFROVQETA-YFKPBYRVSA-N -1 0 307.299 -0.386 20 0 DBADRM CC(=O)N1CCC(NC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1 ZINC001589064989 1021189489 /nfs/dbraw/zinc/18/94/89/1021189489.db2.gz DSZBGGZOFRHFML-UHFFFAOYSA-N -1 0 321.333 -0.326 20 0 DBADRM CC(=O)CSCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001589041628 1021189579 /nfs/dbraw/zinc/18/95/79/1021189579.db2.gz VNIGFIDQUQIVHS-MRVPVSSYSA-N -1 0 309.365 -0.981 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001589074956 1021191966 /nfs/dbraw/zinc/19/19/66/1021191966.db2.gz FXTLQZWCFHDZCW-QWRGUYRKSA-N -1 0 311.338 -0.811 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)[C@H](C)C1 ZINC001589085563 1021192167 /nfs/dbraw/zinc/19/21/67/1021192167.db2.gz WXRDNSSBWACQPG-IEBDPFPHSA-N -1 0 304.368 -0.268 20 0 DBADRM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC001589087652 1021192409 /nfs/dbraw/zinc/19/24/09/1021192409.db2.gz IZBDWIGAZZRPRY-SECBINFHSA-N -1 0 315.351 -0.378 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001589080354 1021192762 /nfs/dbraw/zinc/19/27/62/1021192762.db2.gz WRKPPSMCAUBPMI-JTQLQIEISA-N -1 0 323.353 -0.541 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC1(C(=O)[O-])CC1 ZINC001589123463 1021194544 /nfs/dbraw/zinc/19/45/44/1021194544.db2.gz VKZAPJABQBHHOL-SNVBAGLBSA-N -1 0 311.338 -0.906 20 0 DBADRM CC(=O)N[C@H](CC(=O)N1CC(O)(C(=O)[O-])C1)c1ccccc1 ZINC001589107759 1021195445 /nfs/dbraw/zinc/19/54/45/1021195445.db2.gz SLQDAUWZVDCYKD-GFCCVEGCSA-N -1 0 306.318 -0.088 20 0 DBADRM CC(=O)NC1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)CC1 ZINC001589119632 1021195580 /nfs/dbraw/zinc/19/55/80/1021195580.db2.gz GSSZJSQOELYNKS-UHFFFAOYSA-N -1 0 321.333 -0.326 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001589093794 1021195937 /nfs/dbraw/zinc/19/59/37/1021195937.db2.gz OCSHTXPWKMQNMV-BXKDBHETSA-N -1 0 302.352 -0.342 20 0 DBADRM CC(=O)N[C@H](CCC(C)C)C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001589112062 1021196306 /nfs/dbraw/zinc/19/63/06/1021196306.db2.gz AIMDICVJNLIDJC-BXUZGUMPSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001589096603 1021196533 /nfs/dbraw/zinc/19/65/33/1021196533.db2.gz CKMMFRLMNYSJFW-ZDUSSCGKSA-N -1 0 318.329 -0.382 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001589093797 1021196953 /nfs/dbraw/zinc/19/69/53/1021196953.db2.gz OCSHTXPWKMQNMV-SKDRFNHKSA-N -1 0 302.352 -0.342 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)CN2C[C@@H](F)C[C@H]2C(=O)[O-])C1 ZINC001589120236 1021196971 /nfs/dbraw/zinc/19/69/71/1021196971.db2.gz SWHHYFIVLHZUKA-TUAOUCFPSA-N -1 0 315.345 -0.390 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nn2)CCO1 ZINC001589133139 1021198803 /nfs/dbraw/zinc/19/88/03/1021198803.db2.gz FEOAOINBNYNJBE-VIFPVBQESA-N -1 0 323.309 -0.456 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001589127752 1021199071 /nfs/dbraw/zinc/19/90/71/1021199071.db2.gz NJQWLWWNMZRXCV-UHFFFAOYSA-N -1 0 311.294 -0.845 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)C(N)=O ZINC001589153143 1021199208 /nfs/dbraw/zinc/19/92/08/1021199208.db2.gz NIEYAVCXJXMORT-RBZYPMLTSA-N -1 0 311.338 -0.778 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NCc1ccccc1CC(=O)[O-] ZINC001589127862 1021199554 /nfs/dbraw/zinc/19/95/54/1021199554.db2.gz UTYQMRQDVUYPHY-UHFFFAOYSA-N -1 0 321.333 -0.818 20 0 DBADRM CC(=O)NCC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001589127890 1021200635 /nfs/dbraw/zinc/20/06/35/1021200635.db2.gz WSAYQKFGTPSRND-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM CC(=O)NCc1ccc(CNC(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001589145595 1021200647 /nfs/dbraw/zinc/20/06/47/1021200647.db2.gz CNRLIZLWMXBSEV-UHFFFAOYSA-N -1 0 321.333 -0.336 20 0 DBADRM CC(=O)NCCN(C)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001589140046 1021201194 /nfs/dbraw/zinc/20/11/94/1021201194.db2.gz UWOZZEOIISLICY-UHFFFAOYSA-N -1 0 307.353 -0.402 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001589129111 1021201228 /nfs/dbraw/zinc/20/12/28/1021201228.db2.gz CVDLVPTYUYDULY-NSHDSACASA-N -1 0 316.354 -0.083 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NCC1(C(=O)[O-])CCCCC1)C(N)=O ZINC001589152884 1021201504 /nfs/dbraw/zinc/20/15/04/1021201504.db2.gz KSAKWIIKPKUOJN-JTQLQIEISA-N -1 0 313.354 -0.482 20 0 DBADRM CC(=O)OCCCS(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001589229499 1021202947 /nfs/dbraw/zinc/20/29/47/1021202947.db2.gz USHZTDUQWGVKDN-WDEREUQCSA-N -1 0 323.367 -0.404 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)Cc1scnc1C)C(=O)[O-] ZINC001589156381 1021203038 /nfs/dbraw/zinc/20/30/38/1021203038.db2.gz RUKVQZDSSCEWED-QMMMGPOBSA-N -1 0 306.365 -0.044 20 0 DBADRM CC(=O)OCCCS(=O)(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001589228452 1021203140 /nfs/dbraw/zinc/20/31/40/1021203140.db2.gz HWNDZFFKRZNITI-UHFFFAOYSA-N -1 0 323.367 -0.117 20 0 DBADRM CC(=O)Nc1ccccc1CC(=O)NCC(=O)NCC(=O)[O-] ZINC001589217812 1021203162 /nfs/dbraw/zinc/20/31/62/1021203162.db2.gz AQLDOLIFXWAMMM-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001589229748 1021203235 /nfs/dbraw/zinc/20/32/35/1021203235.db2.gz VTXVNTSKABIBDQ-GFCCVEGCSA-N -1 0 323.367 -0.117 20 0 DBADRM CC(=O)OCCCS(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001589228805 1021203809 /nfs/dbraw/zinc/20/38/09/1021203809.db2.gz IZJMOIASWSSWAQ-NXEZZACHSA-N -1 0 309.340 -0.651 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)CCNC(=O)NC(C)C)C(=O)[O-] ZINC001589156003 1021204161 /nfs/dbraw/zinc/20/41/61/1021204161.db2.gz NDXZQNOJAJVVHN-LXGOIASLSA-N -1 0 307.372 -0.968 20 0 DBADRM CC(=O)Nc1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])ccc1F ZINC001589182178 1021204744 /nfs/dbraw/zinc/20/47/44/1021204744.db2.gz GFFKVQJQYVWSMX-JTQLQIEISA-N -1 0 320.298 -0.492 20 0 DBADRM CC(=O)N[C@H](CC1CCC1)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001589165261 1021204848 /nfs/dbraw/zinc/20/48/48/1021204848.db2.gz BNFUKEBJESEDML-JHJVBQTASA-N -1 0 312.366 -0.025 20 0 DBADRM CC(=O)OC[C@@H](CO)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001589229874 1021205315 /nfs/dbraw/zinc/20/53/15/1021205315.db2.gz YGXCPISFSGYFAX-LLVKDONJSA-N -1 0 311.290 -0.196 20 0 DBADRM CC(=O)c1cn(CC(=O)NC2(C(=O)[O-])CCSCC2)nn1 ZINC001589318458 1021207881 /nfs/dbraw/zinc/20/78/81/1021207881.db2.gz FAZXPLSDDIAISF-UHFFFAOYSA-N -1 0 312.351 -0.053 20 0 DBADRM CC(=O)c1cn(CC(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)nn1 ZINC001589318560 1021208972 /nfs/dbraw/zinc/20/89/72/1021208972.db2.gz JAUCZAMRBXIPBD-SNVBAGLBSA-N -1 0 324.293 -0.901 20 0 DBADRM C[C@@H](C(=O)N1CC(C(=O)[O-])C1)N1C(=O)NC2(CCCC2)C1=O ZINC001589343730 1021212550 /nfs/dbraw/zinc/21/25/50/1021212550.db2.gz XFYPCUNMAFKRAW-QMMMGPOBSA-N -1 0 309.322 -0.218 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)NCCOCC(=O)[O-])n1cccn1 ZINC001589337319 1021215029 /nfs/dbraw/zinc/21/50/29/1021215029.db2.gz QUDHTBOSPPGKJD-JTQLQIEISA-N -1 0 312.326 -0.880 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(C)[C@@H](CO)C1 ZINC001589350421 1021217676 /nfs/dbraw/zinc/21/76/76/1021217676.db2.gz QCOMIWFCHJQGSD-DGCLKSJQSA-N -1 0 313.398 -0.694 20 0 DBADRM C[C@H](C(=O)N(C)[C@@H](COC1CCC1)C(=O)[O-])S(C)(=O)=O ZINC001589338058 1021218473 /nfs/dbraw/zinc/21/84/73/1021218473.db2.gz YTHSBEIGDNTQTG-SCZZXKLOSA-N -1 0 307.368 -0.100 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])c1ccncc1 ZINC001589364516 1021219475 /nfs/dbraw/zinc/21/94/75/1021219475.db2.gz HREXEZWIMLXUCP-MWLCHTKSSA-N -1 0 312.347 -0.105 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H]1C(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC001589357006 1021220991 /nfs/dbraw/zinc/22/09/91/1021220991.db2.gz UMFHPFZSNSWHBO-RKDXNWHRSA-N -1 0 309.322 -0.075 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])c1ccncc1 ZINC001589364515 1021221552 /nfs/dbraw/zinc/22/15/52/1021221552.db2.gz HREXEZWIMLXUCP-KOLCDFICSA-N -1 0 312.347 -0.105 20 0 DBADRM C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC001589373128 1021222154 /nfs/dbraw/zinc/22/21/54/1021222154.db2.gz BCZKUTVDQSXWLT-OQPBUACISA-N -1 0 301.343 -0.479 20 0 DBADRM C[C@@H](C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])n1cnc2c1ncnc2N ZINC001589369697 1021222686 /nfs/dbraw/zinc/22/26/86/1021222686.db2.gz YROFIDONIFFQIL-FXQIFTODSA-N -1 0 322.300 -0.007 20 0 DBADRM C[C@@H](C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)N1C(=O)CCC1=O ZINC001589352971 1021222919 /nfs/dbraw/zinc/22/29/19/1021222919.db2.gz RDCCFDUOUCKZDG-QPUJVOFHSA-N -1 0 312.322 -0.792 20 0 DBADRM C[C@@H](C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)N1C(=O)CCC1=O ZINC001589352973 1021223307 /nfs/dbraw/zinc/22/33/07/1021223307.db2.gz RDCCFDUOUCKZDG-UFBFGSQYSA-N -1 0 312.322 -0.792 20 0 DBADRM C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001589375398 1021224809 /nfs/dbraw/zinc/22/48/09/1021224809.db2.gz UKFNDVYGAJNAPJ-OPRDCNLKSA-N -1 0 315.370 -0.233 20 0 DBADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccccn1)N1CCN(C)CC1 ZINC001589378983 1021225354 /nfs/dbraw/zinc/22/53/54/1021225354.db2.gz XAYKSCWVRCHJOC-DGCLKSJQSA-N -1 0 306.366 -0.041 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN2C(=O)N=NC2C1 ZINC001589353342 1021225421 /nfs/dbraw/zinc/22/54/21/1021225421.db2.gz WJAHZAFSAMAGHO-VIFPVBQESA-N -1 0 323.353 -0.489 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)N1CCNCC1=O ZINC001589357163 1021225849 /nfs/dbraw/zinc/22/58/49/1021225849.db2.gz WEJBRFYDOBIMNX-RYUDHWBXSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001589376823 1021226121 /nfs/dbraw/zinc/22/61/21/1021226121.db2.gz ZZMLGKFDOLZYCL-GZMMTYOYSA-N -1 0 313.354 -0.479 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@H](OC(=O)N(C)C)C1 ZINC001589397894 1021228005 /nfs/dbraw/zinc/22/80/05/1021228005.db2.gz VISGGUCLMWZNEH-UWVGGRQHSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@H](C(=O)N[C@H](CCF)C(=O)[O-])n1cnc2c1ncnc2N ZINC001589386173 1021229481 /nfs/dbraw/zinc/22/94/81/1021229481.db2.gz TVODRTPRWVHNOW-RNFRBKRXSA-N -1 0 310.289 -0.102 20 0 DBADRM C[C@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)CC(=O)N1C ZINC001589392041 1021230261 /nfs/dbraw/zinc/23/02/61/1021230261.db2.gz HIYCSYNYNKDKRH-VIFPVBQESA-N -1 0 307.306 -0.764 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](OC(=O)N(C)C)C1 ZINC001589397895 1021230341 /nfs/dbraw/zinc/23/03/41/1021230341.db2.gz VISGGUCLMWZNEH-VHSXEESVSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@@H](C(=O)NC1CC1)N1CCN(c2nccnc2C(=O)[O-])CC1 ZINC001589398851 1021231027 /nfs/dbraw/zinc/23/10/27/1021231027.db2.gz UZKAMAOGTHEQNS-JTQLQIEISA-N -1 0 319.365 -0.036 20 0 DBADRM C[C@H](C(=O)NC[C@H](F)C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001589413673 1021236106 /nfs/dbraw/zinc/23/61/06/1021236106.db2.gz JCFWCVAGLOUGDW-APPZFPTMSA-N -1 0 311.331 -0.492 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)N1CCN(C)CC1 ZINC001589414143 1021236525 /nfs/dbraw/zinc/23/65/25/1021236525.db2.gz ZQQIBDUORYYOAU-GUBZILKMSA-N -1 0 305.325 -0.296 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1Cc2nc(C3CC3)[nH]c(=O)c2C1 ZINC001589401843 1021237348 /nfs/dbraw/zinc/23/73/48/1021237348.db2.gz YRQGTGTXQMIHHV-ZETCQYMHSA-N -1 0 306.322 -0.036 20 0 DBADRM C[C@H](C(=O)NCCc1ncc(C(=O)[O-])s1)S(C)(=O)=O ZINC001589409762 1021238427 /nfs/dbraw/zinc/23/84/27/1021238427.db2.gz IGCKHYGOOJCSEK-ZCFIWIBFSA-N -1 0 306.365 -0.067 20 0 DBADRM C[C@@H](C(=O)NCCNc1ncc(C(=O)[O-])cn1)n1cncn1 ZINC001589410245 1021239086 /nfs/dbraw/zinc/23/90/86/1021239086.db2.gz YRHVQEWXVFJLPK-QMMMGPOBSA-N -1 0 305.298 -0.444 20 0 DBADRM C[C@H](C(=O)NCCSCC(=O)[O-])n1cnc2c1ncnc2N ZINC001589409981 1021239417 /nfs/dbraw/zinc/23/94/17/1021239417.db2.gz OYWCQLGICRVBCY-SSDOTTSWSA-N -1 0 324.366 -0.097 20 0 DBADRM C[C@@H](C(=O)NCCNc1ccnc(C(=O)[O-])n1)[C@H]1CCCO1 ZINC001589409567 1021240693 /nfs/dbraw/zinc/24/06/93/1021240693.db2.gz GMIIZNPZGZBQQR-NXEZZACHSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[C@H](C)S(C)(=O)=O ZINC001589422709 1021243122 /nfs/dbraw/zinc/24/31/22/1021243122.db2.gz APZDHLNKQUZOBB-JBDRJPRFSA-N -1 0 322.383 -0.850 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H](C)n1cncn1 ZINC001589422018 1021246422 /nfs/dbraw/zinc/24/64/22/1021246422.db2.gz DOJFLAMTFAKMTD-RKDXNWHRSA-N -1 0 319.325 -0.056 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H](C)n1cccn1 ZINC001589423907 1021247680 /nfs/dbraw/zinc/24/76/80/1021247680.db2.gz XJNDBFVSSIVBQG-NXEZZACHSA-N -1 0 318.337 -0.029 20 0 DBADRM CC(C)[C@@](C)(O)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001589427785 1021249165 /nfs/dbraw/zinc/24/91/65/1021249165.db2.gz BWEOCJOYZWXNHQ-LBPRGKRZSA-N -1 0 309.330 -0.515 20 0 DBADRM CC(C)[C@@H](O)CCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001589476712 1021250819 /nfs/dbraw/zinc/25/08/19/1021250819.db2.gz UKPWGZPHIXLIFZ-ZETCQYMHSA-N -1 0 309.330 -0.515 20 0 DBADRM C[C@H](C(=O)OC(C)(C)C)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001589539708 1021257197 /nfs/dbraw/zinc/25/71/97/1021257197.db2.gz FQNJMONWRAXEAK-DTWKUNHWSA-N -1 0 314.338 -0.234 20 0 DBADRM CC(C)CCN(C)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001589600731 1021257355 /nfs/dbraw/zinc/25/73/55/1021257355.db2.gz UWSZKXWNWXWSHS-UHFFFAOYSA-N -1 0 321.341 -0.367 20 0 DBADRM C[C@@H](C(=O)OCC(=O)NCC(=O)[O-])n1nnnc1C(C)(C)C ZINC001589543619 1021257468 /nfs/dbraw/zinc/25/74/68/1021257468.db2.gz QPWFDVOOPFVTEV-ZETCQYMHSA-N -1 0 313.314 -0.724 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)COC(=O)Cn1ncn2nccc2c1=O ZINC001589583261 1021260915 /nfs/dbraw/zinc/26/09/15/1021260915.db2.gz MFDAASOQEGOFAX-UHFFFAOYSA-N -1 0 322.277 -0.886 20 0 DBADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001589612345 1021263283 /nfs/dbraw/zinc/26/32/83/1021263283.db2.gz XXZWMBCLOKGVTJ-SECBINFHSA-N -1 0 323.353 -0.274 20 0 DBADRM CC(C)[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CCO1 ZINC001589518910 1021263882 /nfs/dbraw/zinc/26/38/82/1021263882.db2.gz VGHBDJNOPKLOCK-MRVPVSSYSA-N -1 0 321.341 -0.885 20 0 DBADRM CC(C)[C@@H]1NC(=O)N(CCn2cnc(-c3nnn[n-]3)n2)C1=O ZINC001589520928 1021263936 /nfs/dbraw/zinc/26/39/36/1021263936.db2.gz LKBJWICZQPJRTE-ZETCQYMHSA-N -1 0 305.302 -0.965 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)N(CCO)C2CC2)cn1 ZINC001589656969 1021266023 /nfs/dbraw/zinc/26/60/23/1021266023.db2.gz HIWXJVONXJPNDU-UHFFFAOYSA-N -1 0 324.337 -0.375 20 0 DBADRM CC(C)C[C@H](CO)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589658660 1021266761 /nfs/dbraw/zinc/26/67/61/1021266761.db2.gz LMHDPRJYWRAVNB-RKDXNWHRSA-N -1 0 308.346 -0.458 20 0 DBADRM CC(C)CN(c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C1CC1 ZINC001589628930 1021270101 /nfs/dbraw/zinc/27/01/01/1021270101.db2.gz RPOQVCCENKREHH-UHFFFAOYSA-N -1 0 305.342 -0.122 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001589689823 1021276571 /nfs/dbraw/zinc/27/65/71/1021276571.db2.gz SMBVYUAQZDRRIW-DTWKUNHWSA-N -1 0 304.318 -0.201 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C2(S(N)(=O)=O)CC2)n1 ZINC001589671151 1021277477 /nfs/dbraw/zinc/27/74/77/1021277477.db2.gz RNYWPJNLYSSUEN-UHFFFAOYSA-N -1 0 316.339 -0.538 20 0 DBADRM CC(C)Cn1ncnc1Cn1cnc(-c2nnn[n-]2)cc1=O ZINC001589671402 1021278275 /nfs/dbraw/zinc/27/82/75/1021278275.db2.gz FSPBGRQRYAPNGZ-UHFFFAOYSA-N -1 0 301.314 -0.281 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001589681767 1021280913 /nfs/dbraw/zinc/28/09/13/1021280913.db2.gz DOIIGHVGGXWPQK-LLVKDONJSA-N -1 0 324.381 -0.249 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC001589672388 1021282778 /nfs/dbraw/zinc/28/27/78/1021282778.db2.gz JFKNDLOJPXVESP-LURJTMIESA-N -1 0 309.282 -0.761 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N(CCO)CCO)n1 ZINC001589675027 1021283318 /nfs/dbraw/zinc/28/33/18/1021283318.db2.gz IRNNYZQRMIJGIX-UHFFFAOYSA-N -1 0 300.315 -0.479 20 0 DBADRM CC(C)(C)C(=O)C(=O)NC[C@H](CO)Nc1ncc(C(=O)[O-])cn1 ZINC001589684320 1021283722 /nfs/dbraw/zinc/28/37/22/1021283722.db2.gz CVTMJAHFIDCYFH-SECBINFHSA-N -1 0 324.337 -0.321 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001589689877 1021283964 /nfs/dbraw/zinc/28/39/64/1021283964.db2.gz BMOKAZCHRYRHAY-VIFPVBQESA-N -1 0 316.354 -0.129 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001589693047 1021284669 /nfs/dbraw/zinc/28/46/69/1021284669.db2.gz ZUOMEOZHXYTMDX-KYZUINATSA-N -1 0 313.354 -0.756 20 0 DBADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001589707074 1021290306 /nfs/dbraw/zinc/29/03/06/1021290306.db2.gz YXPZHURIHKQTKL-GHMZBOCLSA-N -1 0 313.354 -0.145 20 0 DBADRM CC(C)NC(=O)[C@H](C)OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589719745 1021290340 /nfs/dbraw/zinc/29/03/40/1021290340.db2.gz FQNCVLIUXOASIL-YUMQZZPRSA-N -1 0 322.329 -0.525 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001589722671 1021297909 /nfs/dbraw/zinc/29/79/09/1021297909.db2.gz MREHOICMLAVDFK-MNOVXSKESA-N -1 0 313.354 -0.145 20 0 DBADRM CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001589740936 1021299518 /nfs/dbraw/zinc/29/95/18/1021299518.db2.gz SDXXQRMSPRTPGW-VHSXEESVSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H](CC(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001589792706 1021304240 /nfs/dbraw/zinc/30/42/40/1021304240.db2.gz ICPPMZZOALPWRN-ZJUUUORDSA-N -1 0 320.357 -0.220 20 0 DBADRM C[C@@H](CC(=O)NCCn1cnc(-c2nnn[n-]2)n1)n1cccn1 ZINC001589793496 1021304427 /nfs/dbraw/zinc/30/44/27/1021304427.db2.gz UTRLYEQORFGJPU-VIFPVBQESA-N -1 0 316.329 -0.578 20 0 DBADRM CC(C)(C)N1CCC[C@H](C(=O)NCC[C@H](O)C(=O)[O-])C1=O ZINC001589817673 1021308762 /nfs/dbraw/zinc/30/87/62/1021308762.db2.gz FVQBQKOZPZRPFD-ZJUUUORDSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(C)N1C[C@H](C(=O)NCCn2cc(C(=O)[O-])nn2)CC1=O ZINC001589796585 1021310054 /nfs/dbraw/zinc/31/00/54/1021310054.db2.gz UMHPHTFRKVGULH-SECBINFHSA-N -1 0 323.353 -0.261 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589847141 1021316070 /nfs/dbraw/zinc/31/60/70/1021316070.db2.gz COEKBMWWKJAJTQ-VIFPVBQESA-N -1 0 306.326 -0.090 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001589834387 1021316053 /nfs/dbraw/zinc/31/60/53/1021316053.db2.gz GCOGXJCQRJPRFN-SECBINFHSA-N -1 0 304.368 -0.006 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001589834089 1021317261 /nfs/dbraw/zinc/31/72/61/1021317261.db2.gz AVBIWGDYTXEOOQ-SECBINFHSA-N -1 0 322.383 -0.594 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1)C(=O)[O-] ZINC001589850936 1021321707 /nfs/dbraw/zinc/32/17/07/1021321707.db2.gz VJVYCJAGSQDZIE-ZCFIWIBFSA-N -1 0 319.281 -0.963 20 0 DBADRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)[C@H]1CCNC1=O ZINC001589878271 1021326611 /nfs/dbraw/zinc/32/66/11/1021326611.db2.gz UVPQQBBQUNWYLG-VIFPVBQESA-N -1 0 314.338 -0.233 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)COCC(=O)[O-] ZINC001589865663 1021329369 /nfs/dbraw/zinc/32/93/69/1021329369.db2.gz DTRSVIXFVVQDCE-VIFPVBQESA-N -1 0 303.311 -0.343 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)Cn1ncc(C(=O)[O-])cc1=O ZINC001589889744 1021331855 /nfs/dbraw/zinc/33/18/55/1021331855.db2.gz DKNKISSWAILPAW-UHFFFAOYSA-N -1 0 311.294 -0.601 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCOC[C@@H]1CC(=O)[O-] ZINC001589889604 1021333987 /nfs/dbraw/zinc/33/39/87/1021333987.db2.gz AQCUAYRDUDRBIR-JTQLQIEISA-N -1 0 316.354 -0.380 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)c1ncn(C)n1 ZINC001589976214 1021345064 /nfs/dbraw/zinc/34/50/64/1021345064.db2.gz NVTVMPASDQSSNP-ZCFIWIBFSA-N -1 0 324.326 -0.372 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1cccnc1-c1nnn[n-]1)C1CC1 ZINC001589990504 1021347860 /nfs/dbraw/zinc/34/78/60/1021347860.db2.gz JUVYQIFJXILCMW-LBPRGKRZSA-N -1 0 324.366 -0.299 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(F)c1)C(=O)[O-] ZINC001589972902 1021348581 /nfs/dbraw/zinc/34/85/81/1021348581.db2.gz BQRSMKFOFXXENF-YFKPBYRVSA-N -1 0 315.286 -0.243 20 0 DBADRM C[C@@H](O)[C@H]1CCCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001589994639 1021352891 /nfs/dbraw/zinc/35/28/91/1021352891.db2.gz HABUTCXPHMVAGS-RKDXNWHRSA-N -1 0 306.330 -0.780 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC001513480796 1021373543 /nfs/dbraw/zinc/37/35/43/1021373543.db2.gz DLVLEFQTYQMCTA-UPINEFLWSA-N -1 0 308.338 -0.309 20 0 DBADRM C[C@@H](OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(=O)C1CC1 ZINC001590004398 1021374590 /nfs/dbraw/zinc/37/45/90/1021374590.db2.gz HTKDQPRFKGDJDJ-NKWVEPMBSA-N -1 0 305.298 -0.070 20 0 DBADRM CC1(C)CC[C@@H](CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)O1 ZINC001590089806 1021385163 /nfs/dbraw/zinc/38/51/63/1021385163.db2.gz VFFPGRCQNQLBLR-QMMMGPOBSA-N -1 0 306.330 -0.468 20 0 DBADRM CC1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCOCC1 ZINC001590070184 1021385892 /nfs/dbraw/zinc/38/58/92/1021385892.db2.gz RHEKYYSOJWTTKM-UHFFFAOYSA-N -1 0 306.330 -0.609 20 0 DBADRM CC(C)(C)OC(=O)NC1(C(=O)NC[C@](C)(O)C(=O)[O-])CC1 ZINC001590125759 1021387859 /nfs/dbraw/zinc/38/78/59/1021387859.db2.gz QWVBQYWPRLCZLJ-LBPRGKRZSA-N -1 0 302.327 -0.005 20 0 DBADRM CC1(CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCC1 ZINC001590130651 1021391495 /nfs/dbraw/zinc/39/14/95/1021391495.db2.gz RKOCHIJNAWAZFW-UHFFFAOYSA-N -1 0 305.346 -0.052 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2csc(-c3nn[nH]n3)c2)C(=O)N1C ZINC001590165842 1021403378 /nfs/dbraw/zinc/40/33/78/1021403378.db2.gz PDHQYZJEVCMNSA-RXMQYKEDSA-N -1 0 321.322 -0.145 20 0 DBADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001590167808 1021406520 /nfs/dbraw/zinc/40/65/20/1021406520.db2.gz PMTHLYGJXFKQKV-FQOARCPFSA-N -1 0 322.394 -0.173 20 0 DBADRM CC(C)(C)OC(=O)NCCN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001590200268 1021419813 /nfs/dbraw/zinc/41/98/13/1021419813.db2.gz CHGCOGXYYMEJJB-SECBINFHSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)[C@H](C)O1 ZINC001590199163 1021424540 /nfs/dbraw/zinc/42/45/40/1021424540.db2.gz JERAFVDHDVKVIS-VGMNWLOBSA-N -1 0 321.345 -0.677 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001590214052 1021428442 /nfs/dbraw/zinc/42/84/42/1021428442.db2.gz IQQJVCGNQYXWGB-HTRCEHHLSA-N -1 0 317.309 -0.832 20 0 DBADRM C[C@H]1C[C@@H](NS(=O)(=O)c2cccnc2-c2nnn[n-]2)CO1 ZINC001590207341 1021429193 /nfs/dbraw/zinc/42/91/93/1021429193.db2.gz RFZJXCYOOMSSPK-JGVFFNPUSA-N -1 0 310.339 -0.283 20 0 DBADRM C[C@H]1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CS1 ZINC001590206619 1021430899 /nfs/dbraw/zinc/43/08/99/1021430899.db2.gz JWHLGEHJJCIEQV-NTSWFWBYSA-N -1 0 309.355 -0.028 20 0 DBADRM C[C@@H]1C[C@@H](NS(=O)(=O)c2cccnc2-c2nnn[n-]2)CO1 ZINC001590207340 1021431115 /nfs/dbraw/zinc/43/11/15/1021431115.db2.gz RFZJXCYOOMSSPK-HTQZYQBOSA-N -1 0 310.339 -0.283 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590234057 1021433422 /nfs/dbraw/zinc/43/34/22/1021433422.db2.gz QYSKDSKURCVIRH-DTWKUNHWSA-N -1 0 305.346 -0.054 20 0 DBADRM C[C@H]1CCCN1C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590263845 1021433911 /nfs/dbraw/zinc/43/39/11/1021433911.db2.gz HQVKYOTZFWLVCF-ZETCQYMHSA-N -1 0 305.298 -0.860 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H]1CCNC1=O ZINC001590247177 1021438489 /nfs/dbraw/zinc/43/84/89/1021438489.db2.gz XLRJJZVIZJMGIX-YUMQZZPRSA-N -1 0 315.326 -0.641 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)NC(CO)CO ZINC001590273692 1021442675 /nfs/dbraw/zinc/44/26/75/1021442675.db2.gz NQRFVDYXRXPGNW-SECBINFHSA-N -1 0 320.342 -0.786 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ccc(-c3nnn[n-]3)cc2=O)C[C@H](C)O1 ZINC001590290865 1021443618 /nfs/dbraw/zinc/44/36/18/1021443618.db2.gz FGDPECQAKKZUNR-AOOOYVTPSA-N -1 0 318.337 -0.336 20 0 DBADRM C[C@H]1COCC[C@H]1CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590321462 1021454415 /nfs/dbraw/zinc/45/44/15/1021454415.db2.gz CARLZDSSMFPXGS-YUMQZZPRSA-N -1 0 321.341 -0.250 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C[C@H]1O ZINC001590315648 1021456125 /nfs/dbraw/zinc/45/61/25/1021456125.db2.gz ZONXQNNCGHOGTF-HTQZYQBOSA-N -1 0 310.339 -0.737 20 0 DBADRM C[C@@H]1COCC[C@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590322374 1021456261 /nfs/dbraw/zinc/45/62/61/1021456261.db2.gz FGRYWDNOTFZQIE-BDAKNGLRSA-N -1 0 306.330 -0.753 20 0 DBADRM C[C@@H](C(=O)N[C@H]1[C@@H](C)O[C@@H](C)[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590333198 1021466745 /nfs/dbraw/zinc/46/67/45/1021466745.db2.gz BZFIAEQLUQASMP-RXKWGBCNSA-N -1 0 320.357 -0.053 20 0 DBADRM C[C@@H](C(=O)N1CCSC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590328367 1021466785 /nfs/dbraw/zinc/46/67/85/1021466785.db2.gz YQGXWDRAICGPOJ-SFYZADRCSA-N -1 0 308.371 -0.017 20 0 DBADRM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)C1(C(N)=O)CC1 ZINC001590340665 1021468984 /nfs/dbraw/zinc/46/89/84/1021468984.db2.gz YCBNBVUBEUUFCZ-QMMMGPOBSA-N -1 0 314.338 -0.057 20 0 DBADRM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)C[C@@H]1CC(=O)N1 ZINC001590340860 1021469916 /nfs/dbraw/zinc/46/99/16/1021469916.db2.gz FHNVFAQKQUKIJS-IUCAKERBSA-N -1 0 314.338 -0.044 20 0 DBADRM C/C=C\C[C@H](CO)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590351601 1021470345 /nfs/dbraw/zinc/47/03/45/1021470345.db2.gz HQAJLJGSTCJQOZ-UREXNXCXSA-N -1 0 306.330 -0.538 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590336206 1021472330 /nfs/dbraw/zinc/47/23/30/1021472330.db2.gz XBFIYYNGRBOLPD-RTHLEPHNSA-N -1 0 319.321 -0.158 20 0 DBADRM C/C=C\C[C@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590353924 1021474286 /nfs/dbraw/zinc/47/42/86/1021474286.db2.gz QRPTUMASTINKMB-KFOINNEUSA-N -1 0 307.314 -0.595 20 0 DBADRM CCC(=O)N1CCC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590362729 1021477719 /nfs/dbraw/zinc/47/77/19/1021477719.db2.gz WBVKBKKODUMTFA-VIFPVBQESA-N -1 0 302.342 -0.109 20 0 DBADRM CCC(=O)N1CC[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590360970 1021477812 /nfs/dbraw/zinc/47/78/12/1021477812.db2.gz QXHPIXSFZRVLIQ-VIFPVBQESA-N -1 0 302.342 -0.251 20 0 DBADRM CC[C@@H](C)CONc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001590410457 1021489676 /nfs/dbraw/zinc/48/96/76/1021489676.db2.gz OIOLRTDYQZZMJE-SSDOTTSWSA-N -1 0 309.330 -0.346 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001590423068 1021489846 /nfs/dbraw/zinc/48/98/46/1021489846.db2.gz ZTIFWJKAHWGFLE-LBPRGKRZSA-N -1 0 307.368 -0.193 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001590455726 1021496025 /nfs/dbraw/zinc/49/60/25/1021496025.db2.gz GIRXDIOKVVPUDU-HTQZYQBOSA-N -1 0 308.321 -0.257 20 0 DBADRM CC[C@H](F)C(=O)N[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001590455732 1021498192 /nfs/dbraw/zinc/49/81/92/1021498192.db2.gz GIRXDIOKVVPUDU-SFYZADRCSA-N -1 0 308.321 -0.257 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2coc(-c3nn[nH]n3)c2)C1=O ZINC001590491651 1021511061 /nfs/dbraw/zinc/51/10/61/1021511061.db2.gz HRTWCMPSYHERSM-LBPRGKRZSA-N -1 0 319.281 -0.175 20 0 DBADRM CCC1CN(C(=O)CCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001590517689 1021511337 /nfs/dbraw/zinc/51/13/37/1021511337.db2.gz RZAKROXNSLFOJP-UHFFFAOYSA-N -1 0 319.325 -0.613 20 0 DBADRM CC[C@@H](SC)C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001590482129 1021511467 /nfs/dbraw/zinc/51/14/67/1021511467.db2.gz WKTHGZWZNAXVSM-MRVPVSSYSA-N -1 0 322.398 -0.252 20 0 DBADRM CCC(O)(CC)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590473901 1021511628 /nfs/dbraw/zinc/51/16/28/1021511628.db2.gz XRNKZGVRKKOYPD-UHFFFAOYSA-N -1 0 323.361 -0.692 20 0 DBADRM CC[C@@H](O)CCCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590476764 1021512345 /nfs/dbraw/zinc/51/23/45/1021512345.db2.gz ZTXGHNJWRIALSV-SSDOTTSWSA-N -1 0 309.330 -0.371 20 0 DBADRM CCCC(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001590536842 1021516305 /nfs/dbraw/zinc/51/63/05/1021516305.db2.gz XHFZUQHRACDGTF-UHFFFAOYSA-N -1 0 302.342 -0.061 20 0 DBADRM CC[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@H](C)CO1 ZINC001590519116 1021518178 /nfs/dbraw/zinc/51/81/78/1021518178.db2.gz VXIWLODIPJMTJT-BDAKNGLRSA-N -1 0 306.330 -0.516 20 0 DBADRM CC(C)(C)n1cc(C(=O)NCCC(=O)NCCC(=O)[O-])nn1 ZINC001590587730 1021518765 /nfs/dbraw/zinc/51/87/65/1021518765.db2.gz XGAFRVYOEYZNQF-UHFFFAOYSA-N -1 0 311.342 -0.256 20 0 DBADRM CCC[C@@H](CCO)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590556769 1021519646 /nfs/dbraw/zinc/51/96/46/1021519646.db2.gz XLYNXXWMIQSDKO-BDAKNGLRSA-N -1 0 308.346 -0.314 20 0 DBADRM CCC/C=C\[C@H](O)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590568347 1021520301 /nfs/dbraw/zinc/52/03/01/1021520301.db2.gz CQRGBUSOVQOFSQ-WBSSQXGSSA-N -1 0 306.330 -0.708 20 0 DBADRM CCC[C@](C)(CO)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590542683 1021520557 /nfs/dbraw/zinc/52/05/57/1021520557.db2.gz DQUYLNXSFIXMQL-QPUJVOFHSA-N -1 0 308.346 -0.314 20 0 DBADRM CCCCC[C@@H](O)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590590692 1021521720 /nfs/dbraw/zinc/52/17/20/1021521720.db2.gz STOKRSFHGOZKDL-SECBINFHSA-N -1 0 308.346 -0.484 20 0 DBADRM CCCNC(=O)[C@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590635637 1021525712 /nfs/dbraw/zinc/52/57/12/1021525712.db2.gz ZWDUVUSEPWDXAV-YUMQZZPRSA-N -1 0 321.345 -0.950 20 0 DBADRM CC(C)(CC(N)=O)NS(=O)(=O)c1csnc1C(=O)[O-] ZINC001590654512 1021531091 /nfs/dbraw/zinc/53/10/91/1021531091.db2.gz NRWOSHKEYCAFGC-UHFFFAOYSA-N -1 0 307.353 -0.226 20 0 DBADRM CCCNC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590638277 1021536846 /nfs/dbraw/zinc/53/68/46/1021536846.db2.gz VIHIITNTDDLPNO-UHFFFAOYSA-N -1 0 314.327 -0.736 20 0 DBADRM CC(C)(CNC(=O)C(=O)N(CCO)C1CCC1)CC(=O)[O-] ZINC001590702884 1021547842 /nfs/dbraw/zinc/54/78/42/1021547842.db2.gz RIZJNZXLFYGNPP-UHFFFAOYSA-N -1 0 300.355 -0.023 20 0 DBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1nnn(C)n1 ZINC001518169551 1021557860 /nfs/dbraw/zinc/55/78/60/1021557860.db2.gz YQCAXZSNFPHIRM-UHFFFAOYSA-N -1 0 302.298 -0.244 20 0 DBADRM CC(C)(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CS(N)(=O)=O ZINC001590727062 1021558798 /nfs/dbraw/zinc/55/87/98/1021558798.db2.gz SXDRBCCYQQVYJH-BDAKNGLRSA-N -1 0 321.399 -0.146 20 0 DBADRM CCNC(=O)CCOC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590741218 1021560300 /nfs/dbraw/zinc/56/03/00/1021560300.db2.gz PTBQTGMYKWDKNS-SSDOTTSWSA-N -1 0 308.302 -0.911 20 0 DBADRM CCN1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)CC1 ZINC001590736578 1021563407 /nfs/dbraw/zinc/56/34/07/1021563407.db2.gz OGTNLTCHHZEJIC-UHFFFAOYSA-N -1 0 323.382 -0.412 20 0 DBADRM CCOC(=O)[C@H](C)OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590751180 1021567887 /nfs/dbraw/zinc/56/78/87/1021567887.db2.gz GEWRGBBPBVPTAG-RQJHMYQMSA-N -1 0 309.286 -0.486 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590753744 1021568796 /nfs/dbraw/zinc/56/87/96/1021568796.db2.gz YKFUYDGAYHIVSW-BQBZGAKWSA-N -1 0 308.302 -0.913 20 0 DBADRM CC(C)(CNC(=O)c1ccc(S(N)(=O)=O)nc1)CC(=O)[O-] ZINC001590751022 1021569489 /nfs/dbraw/zinc/56/94/89/1021569489.db2.gz ZIZNLDGCRFCPBU-UHFFFAOYSA-N -1 0 315.351 -0.040 20 0 DBADRM CC(C)(CNC(=O)c1nc2ncc(CCO)cn2n1)C(=O)[O-] ZINC001590758796 1021571178 /nfs/dbraw/zinc/57/11/78/1021571178.db2.gz PMVJYZLHNGOYKU-UHFFFAOYSA-N -1 0 307.310 -0.500 20 0 DBADRM CC(C)(CNS(N)(=O)=O)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001590774313 1021580147 /nfs/dbraw/zinc/58/01/47/1021580147.db2.gz PIOOEDOLVGYSSS-IUCAKERBSA-N -1 0 321.399 -0.435 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCO[C@@]2(CCOC2)C1)C(=O)[O-] ZINC001590797743 1021581262 /nfs/dbraw/zinc/58/12/62/1021581262.db2.gz BVEBTBNODKVZFS-LBPRGKRZSA-N -1 0 307.368 -0.082 20 0 DBADRM CC(C)(CS(=O)(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1)C(=O)[O-] ZINC001590797694 1021584455 /nfs/dbraw/zinc/58/44/55/1021584455.db2.gz AHPAQBWSPSARHN-BDAKNGLRSA-N -1 0 320.367 -0.143 20 0 DBADRM CC(C)(CS(=O)(=O)NCCN1CCC(O)CC1)C(=O)[O-] ZINC001590803042 1021588801 /nfs/dbraw/zinc/58/88/01/1021588801.db2.gz IGEAVZQAHFKQBI-UHFFFAOYSA-N -1 0 308.400 -0.527 20 0 DBADRM CC(C)(CS(=O)(=O)NC[C@H]1CCCS1(=O)=O)C(=O)[O-] ZINC001590804581 1021588861 /nfs/dbraw/zinc/58/88/61/1021588861.db2.gz XZSMTKNWMXNEKI-MRVPVSSYSA-N -1 0 313.397 -0.406 20 0 DBADRM CC(C)(CS(=O)(=O)NCCNc1ncccn1)C(=O)[O-] ZINC001590802489 1021591454 /nfs/dbraw/zinc/59/14/54/1021591454.db2.gz ADVYZNBFJHOGBA-UHFFFAOYSA-N -1 0 302.356 -0.081 20 0 DBADRM CC(C)(F)C(=O)NC1(CCO)CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001590827533 1021592411 /nfs/dbraw/zinc/59/24/11/1021592411.db2.gz ZRZHLODWNZWURI-IUCAKERBSA-N -1 0 316.329 -0.465 20 0 DBADRM CC(C)(F)C(=O)N(CCO)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001590827438 1021594668 /nfs/dbraw/zinc/59/46/68/1021594668.db2.gz VZAYUBXGOVQEDI-IUCAKERBSA-N -1 0 304.318 -0.608 20 0 DBADRM CC(C)(NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1cn[nH]n1 ZINC001590844937 1021595194 /nfs/dbraw/zinc/59/51/94/1021595194.db2.gz RUPYJTYCWNGEIU-QMMMGPOBSA-N -1 0 309.326 -0.521 20 0 DBADRM CC(C)(NC(=O)CN1CCOCC1=O)c1nocc1C(=O)[O-] ZINC001590844463 1021596402 /nfs/dbraw/zinc/59/64/02/1021596402.db2.gz DUOAECFZFYCHSS-UHFFFAOYSA-N -1 0 311.294 -0.417 20 0 DBADRM CC(C)(CS(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)[O-])C(=O)[O-] ZINC001590817571 1021596484 /nfs/dbraw/zinc/59/64/84/1021596484.db2.gz CJLSBQCWZWMADO-QMMMGPOBSA-N -1 0 310.372 -0.401 20 0 DBADRM CC[C@@H]1C[C@H]1CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590860503 1021599348 /nfs/dbraw/zinc/59/93/48/1021599348.db2.gz ZIHWZSFPXCGTTO-BDAKNGLRSA-N -1 0 305.346 -0.197 20 0 DBADRM CC(C)(NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001590874931 1021602966 /nfs/dbraw/zinc/60/29/66/1021602966.db2.gz PROILLPRVPEHJW-MRVPVSSYSA-N -1 0 313.397 -0.406 20 0 DBADRM CC(C)(O)CC(=O)N[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001590894055 1021603486 /nfs/dbraw/zinc/60/34/86/1021603486.db2.gz YKNSFOCRQVAFLX-DTORHVGOSA-N -1 0 308.338 -0.183 20 0 DBADRM CC(C)(O)CC(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001590894032 1021605021 /nfs/dbraw/zinc/60/50/21/1021605021.db2.gz XYUVOHALGGKJCK-UHFFFAOYSA-N -1 0 308.338 -0.016 20 0 DBADRM CCc1cc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n[nH]1 ZINC001590882735 1021607211 /nfs/dbraw/zinc/60/72/11/1021607211.db2.gz NHKVLGCLLGYJEW-ZCFIWIBFSA-N -1 0 302.302 -0.057 20 0 DBADRM CC(C)(O)C[C@H](O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001590893895 1021607781 /nfs/dbraw/zinc/60/77/81/1021607781.db2.gz VMRAMUOQANOGGA-ZJUUUORDSA-N -1 0 309.384 -0.918 20 0 DBADRM CC(C)C(=O)N(C)CCOCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001590928185 1021610926 /nfs/dbraw/zinc/61/09/26/1021610926.db2.gz VTEIZEXXTYIVNY-GHMZBOCLSA-N -1 0 300.355 -0.046 20 0 DBADRM CC(C)C(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001590931574 1021611795 /nfs/dbraw/zinc/61/17/95/1021611795.db2.gz HUXWYRUNOQKYKS-MNOVXSKESA-N -1 0 312.366 -0.167 20 0 DBADRM CCc1nc(COC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)no1 ZINC001590913685 1021612378 /nfs/dbraw/zinc/61/23/78/1021612378.db2.gz DJVVFUFVZODYDI-ZCFIWIBFSA-N -1 0 319.285 -0.292 20 0 DBADRM CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCC(=O)NCC(=O)[O-] ZINC001590933593 1021612865 /nfs/dbraw/zinc/61/28/65/1021612865.db2.gz NKYXFBNIVCDKLO-SNVBAGLBSA-N -1 0 313.354 -0.660 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2C[C@]23CCOC3)c1=O ZINC001590949903 1021614559 /nfs/dbraw/zinc/61/45/59/1021614559.db2.gz NCNDEPZDQVHLIS-OTYXRUKQSA-N -1 0 318.337 -0.363 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O ZINC001590939156 1021614992 /nfs/dbraw/zinc/61/49/92/1021614992.db2.gz VUMYZYYTFJMOFY-MNOVXSKESA-N -1 0 308.338 -0.113 20 0 DBADRM CC(C)C(=O)NCCNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001590940293 1021616511 /nfs/dbraw/zinc/61/65/11/1021616511.db2.gz WLGWEGCLVRWAJB-IUCAKERBSA-N -1 0 316.358 -0.964 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001590939039 1021617339 /nfs/dbraw/zinc/61/73/39/1021617339.db2.gz OPZVGVNVIIALEE-QWRGUYRKSA-N -1 0 300.355 -0.263 20 0 DBADRM CC(C)[C@@H](C)N(C)C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001590970112 1021620527 /nfs/dbraw/zinc/62/05/27/1021620527.db2.gz OEEMIUQWYUSVDJ-SNVBAGLBSA-N -1 0 315.370 -0.414 20 0 DBADRM CC(C)[C@](C)(O)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001590967462 1021621200 /nfs/dbraw/zinc/62/12/00/1021621200.db2.gz WEMAEZRSVOOITI-MWODSPESSA-N -1 0 303.359 -0.330 20 0 DBADRM CC(C)[C@@H](C)C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001590966804 1021622630 /nfs/dbraw/zinc/62/26/30/1021622630.db2.gz GZQJXQRNNMQXFD-ZJUUUORDSA-N -1 0 310.354 -0.222 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CC(O)(C(=O)[O-])C1)N1CCOCC1 ZINC001590983059 1021625906 /nfs/dbraw/zinc/62/59/06/1021625906.db2.gz CESDTPYTEASDHX-NSHDSACASA-N -1 0 315.370 -0.816 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1ccc2c(c1)CC(=O)N2C ZINC001522405786 1021704499 /nfs/dbraw/zinc/70/44/99/1021704499.db2.gz NQLVEKRYTIRPIL-UHFFFAOYSA-N -1 0 306.322 -0.318 20 0 DBADRM O=C(NCCNC(=O)c1c[n-]n2c1nccc2=O)c1ccoc1 ZINC001522513550 1021745912 /nfs/dbraw/zinc/74/59/12/1021745912.db2.gz YGYKXXQEWSKRHR-UHFFFAOYSA-N -1 0 315.289 -0.225 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)C[C@@H]2COC(=O)C2)c1[O-] ZINC001522583230 1021802226 /nfs/dbraw/zinc/80/22/26/1021802226.db2.gz NWJWLLKIDYACBO-QMMMGPOBSA-N -1 0 310.310 -0.777 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)CCc2cn[nH]c2)c1[O-] ZINC001522590637 1021803949 /nfs/dbraw/zinc/80/39/49/1021803949.db2.gz KHLRVFDRCWOBTF-UHFFFAOYSA-N -1 0 306.326 -0.374 20 0 DBADRM CC[C@@]1(C)C[C@@H]1C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001522781116 1021867386 /nfs/dbraw/zinc/86/73/86/1021867386.db2.gz ABILSBBBNTZWID-OQPBUACISA-N -1 0 311.342 -0.642 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001523342976 1022042570 /nfs/dbraw/zinc/04/25/70/1022042570.db2.gz JBDQRSDGWJQWNU-JGVFFNPUSA-N -1 0 309.326 -0.483 20 0 DBADRM O=C(N[C@H](CNC(=O)C(F)F)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001524302200 1022233104 /nfs/dbraw/zinc/23/31/04/1022233104.db2.gz OKGIJLIZWDXLEB-RXMQYKEDSA-N -1 0 317.252 -0.828 20 0 DBADRM CCCC(=O)NC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001524322668 1022239099 /nfs/dbraw/zinc/23/90/99/1022239099.db2.gz APZQXVZJYZYMPZ-SECBINFHSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@@H](CNC(=O)C1CC=CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001526465937 1022506178 /nfs/dbraw/zinc/50/61/78/1022506178.db2.gz KVCBGMSJINEOKS-VIFPVBQESA-N -1 0 320.349 -0.313 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)C[C@@H]2CCC(=O)N2)c1[O-] ZINC001526499862 1022512659 /nfs/dbraw/zinc/51/26/59/1022512659.db2.gz FWSYPUDMSYOQBV-CBAPKCEASA-N -1 0 323.353 -0.673 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H](C)CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001526753653 1022558124 /nfs/dbraw/zinc/55/81/24/1022558124.db2.gz XDNOAMIIXLGFNX-OTOXVQDCSA-N -1 0 323.353 -0.198 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O ZINC001558574116 1023963040 /nfs/dbraw/zinc/96/30/40/1023963040.db2.gz YCETWIZTKBRULL-KWQFWETISA-N -1 0 302.327 -0.737 20 0 DBADRM Cc1nn2cccnc2c1S(=O)(=O)N[C@H]1CC(=O)N(C)C1=O ZINC001561560016 1024010930 /nfs/dbraw/zinc/01/09/30/1024010930.db2.gz AFWSYKGSBUXVDO-QMMMGPOBSA-N -1 0 323.334 -0.927 20 0 DBADRM CN(C)C(=O)OCCNS(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001561727622 1024014430 /nfs/dbraw/zinc/01/44/30/1024014430.db2.gz UXEPZVJHGXWQDF-GOSISDBHSA-N -1 0 316.405 -0.907 20 0 DBADRM CCO[N-]C(=O)C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC001561716351 1024015300 /nfs/dbraw/zinc/01/53/00/1024015300.db2.gz QULCIWYWIXUFNA-GOSISDBHSA-N -1 0 315.417 -0.215 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccc(OCCC(N)=O)cc1 ZINC001562379599 1024021009 /nfs/dbraw/zinc/02/10/09/1024021009.db2.gz QNIOJWJDVQEZQN-UHFFFAOYSA-N -1 0 310.310 -0.260 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1cc(=O)n2ccccc2n1 ZINC001562801930 1024021118 /nfs/dbraw/zinc/02/11/18/1024021118.db2.gz LEIQRJDJMNCPHZ-UHFFFAOYSA-N -1 0 314.309 -0.556 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1ccccc1S(C)(=O)=O ZINC001564931524 1024045741 /nfs/dbraw/zinc/04/57/41/1024045741.db2.gz BIBLQQVCHIIGLU-UHFFFAOYSA-N -1 0 315.351 -0.433 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1ccc(-c2nncnn2)cc1 ZINC001565010351 1024046132 /nfs/dbraw/zinc/04/61/32/1024046132.db2.gz PGDHJHURLVIWHF-UHFFFAOYSA-N -1 0 317.309 -0.590 20 0 DBADRM CCO[C@H]1C[C@@](CO)(NC(=O)NCC(=O)[N-]OC)C1(C)C ZINC001565420368 1024052563 /nfs/dbraw/zinc/05/25/63/1024052563.db2.gz BOTISYFMFZZVAQ-ZANVPECISA-N -1 0 303.359 -0.471 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2coc3c2C(=O)NCCC3)C1=O ZINC001566470670 1024191265 /nfs/dbraw/zinc/19/12/65/1024191265.db2.gz UOIPGTJTCOXVGK-UHFFFAOYSA-N -1 0 306.278 -0.506 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)[N-]OCC(N)=O ZINC001566980833 1024446778 /nfs/dbraw/zinc/44/67/78/1024446778.db2.gz REVRHUZWLNPYLE-IUCAKERBSA-N -1 0 317.342 -0.551 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001568885123 1025064702 /nfs/dbraw/zinc/06/47/02/1025064702.db2.gz QBKKKIYEZHBRKW-JWXWKVPASA-N -1 0 322.369 -0.669 20 0 DBADRM Cc1cnn(CCC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)c1 ZINC001568970714 1025102797 /nfs/dbraw/zinc/10/27/97/1025102797.db2.gz ZDSUCGRZBUMNQF-NSCUHMNNSA-N -1 0 319.369 -0.132 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)Cc1nnc(C2CCOCC2)[nH]1 ZINC001571069812 1025808499 /nfs/dbraw/zinc/80/84/99/1025808499.db2.gz RMZSXGVBFVWMPK-QMMMGPOBSA-N -1 0 300.290 -0.220 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)Cc1nnc(C2CCOCC2)[nH]1 ZINC001571069802 1025809182 /nfs/dbraw/zinc/80/91/82/1025809182.db2.gz RDNSKZPBIHYWCG-QMMMGPOBSA-N -1 0 300.290 -0.220 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001571072153 1025809362 /nfs/dbraw/zinc/80/93/62/1025809362.db2.gz MSGRNEQEMATVIR-AXFHLTTASA-N -1 0 300.355 -0.311 20 0 DBADRM NC(=O)c1ncc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)s1 ZINC001571070400 1025809836 /nfs/dbraw/zinc/80/98/36/1025809836.db2.gz ZWHVVBATZCERAJ-JTQLQIEISA-N -1 0 300.296 -0.705 20 0 DBADRM O=C(C[C@@H]1CCC(=O)NC1)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001571070205 1025810053 /nfs/dbraw/zinc/81/00/53/1025810053.db2.gz WNWOORNKZBMMLT-DTWKUNHWSA-N -1 0 300.311 -0.765 20 0 DBADRM CNC(=O)NCCC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC001571074402 1025810461 /nfs/dbraw/zinc/81/04/61/1025810461.db2.gz JYGBIGUSAKEYJP-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM C[C@]1(CO)CN(C(=O)NC2CN(C(=O)[O-])C2)C[C@@]1(C)CO ZINC001571074311 1025811395 /nfs/dbraw/zinc/81/13/95/1025811395.db2.gz JRHCZMZBRARMRD-BETUJISGSA-N -1 0 301.343 -0.629 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@H](CO)[C@H](CCO)C2)O[C@H]1C(=O)[O-] ZINC001571074041 1025811139 /nfs/dbraw/zinc/81/11/39/1025811139.db2.gz FGQLAMOYYQRNOH-LZQZFOIKSA-N -1 0 301.339 -0.686 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](CO)[C@H]2CO)O[C@H]1C(=O)[O-] ZINC001571074926 1025811163 /nfs/dbraw/zinc/81/11/63/1025811163.db2.gz OZFRGENVNVXYHP-IYKVGLELSA-N -1 0 301.339 -0.544 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H]2CC23CC(O)C3)c1C(=O)[O-] ZINC001571074638 1025811288 /nfs/dbraw/zinc/81/12/88/1025811288.db2.gz KVJCZDDCPXOUHV-KKOGVWMFSA-N -1 0 301.324 -0.392 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2CC[C@@H](CS(N)(=O)=O)C2)n1 ZINC001571072315 1025811327 /nfs/dbraw/zinc/81/13/27/1025811327.db2.gz SJMJFOVQFYEYCO-MRVPVSSYSA-N -1 0 300.340 -0.402 20 0 DBADRM CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)C(=O)[O-] ZINC001571075091 1025812346 /nfs/dbraw/zinc/81/23/46/1025812346.db2.gz XHEXZWNVSZPLDM-IUCAKERBSA-N -1 0 301.343 -0.628 20 0 DBADRM O=C([O-])c1cnoc1CN1CCS(=O)(=O)C[C@@H]1CCO ZINC001571085625 1025818750 /nfs/dbraw/zinc/81/87/50/1025818750.db2.gz RKHQREPISWSMES-QMMMGPOBSA-N -1 0 304.324 -0.646 20 0 DBADRM C[C@@H]1CN(C(=O)CC2SC(=N)NC2=O)C[C@@H](C(=O)[O-])O1 ZINC001571075275 1025812748 /nfs/dbraw/zinc/81/27/48/1025812748.db2.gz UCKKKKWHIAJXGT-DSYKOEDSSA-N -1 0 301.324 -0.757 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(-n2cccn2)nc1 ZINC001571077018 1025812809 /nfs/dbraw/zinc/81/28/09/1025812809.db2.gz RRIOVXOKICXRNR-MNOVXSKESA-N -1 0 302.290 -0.073 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCc2ncc3c(n2)CCC3)nn1 ZINC001571076772 1025813245 /nfs/dbraw/zinc/81/32/45/1025813245.db2.gz IQPLEPGFGHEETN-UHFFFAOYSA-N -1 0 302.294 -0.429 20 0 DBADRM CCCNC(=O)CCC(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001571076505 1025813369 /nfs/dbraw/zinc/81/33/69/1025813369.db2.gz DMTGXUNSMHZIIZ-SECBINFHSA-N -1 0 302.327 -0.375 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)NC1(CC(=O)[O-])CC1 ZINC001571076884 1025813439 /nfs/dbraw/zinc/81/34/39/1025813439.db2.gz NZMDOQAZISZPDQ-UHFFFAOYSA-N -1 0 302.308 -0.027 20 0 DBADRM O=C([O-])C1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC001571076979 1025813565 /nfs/dbraw/zinc/81/35/65/1025813565.db2.gz PWMFEXKSLLNNNU-UHFFFAOYSA-N -1 0 302.294 -0.006 20 0 DBADRM CCN1C[C@H](NS(=O)(=O)c2occc2C(=O)[O-])CC1=O ZINC001571077051 1025813702 /nfs/dbraw/zinc/81/37/02/1025813702.db2.gz SUGORIPVAWYWCW-SSDOTTSWSA-N -1 0 302.308 -0.123 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCC[C@H]2CCO)n[nH]1 ZINC001571079585 1025814696 /nfs/dbraw/zinc/81/46/96/1025814696.db2.gz ICAILUKAKCMNOB-YUMQZZPRSA-N -1 0 303.340 -0.063 20 0 DBADRM COC1(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CCOCC1 ZINC001571080253 1025814843 /nfs/dbraw/zinc/81/48/43/1025814843.db2.gz PIIOFRIMHJOBIL-VIFPVBQESA-N -1 0 303.311 -0.486 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1cc(C(=O)[O-])nn1C ZINC001571079771 1025814901 /nfs/dbraw/zinc/81/49/01/1025814901.db2.gz IJHWQLXMIOJWMS-ZETCQYMHSA-N -1 0 303.340 -0.377 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC001571080348 1025815099 /nfs/dbraw/zinc/81/50/99/1025815099.db2.gz QMLROJIRCKGTQJ-SSDOTTSWSA-N -1 0 303.296 -0.662 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])n[nH]1 ZINC001571079876 1025815206 /nfs/dbraw/zinc/81/52/06/1025815206.db2.gz LROSWVGICWWZGV-ZETCQYMHSA-N -1 0 303.296 -0.566 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001571079484 1025815497 /nfs/dbraw/zinc/81/54/97/1025815497.db2.gz GGGIPWOJBIRUMB-LLVKDONJSA-N -1 0 303.340 -0.502 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccc2cc(=O)[nH]cc21 ZINC001571079600 1025815607 /nfs/dbraw/zinc/81/56/07/1025815607.db2.gz KHZRBPKLODNWSC-UHFFFAOYSA-N -1 0 303.274 -0.129 20 0 DBADRM COC1(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])CCOCC1 ZINC001571080252 1025815736 /nfs/dbraw/zinc/81/57/36/1025815736.db2.gz PIIOFRIMHJOBIL-SECBINFHSA-N -1 0 303.311 -0.486 20 0 DBADRM O=C([O-])c1coc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c1 ZINC001571079323 1025815814 /nfs/dbraw/zinc/81/58/14/1025815814.db2.gz DKPPJDQZRTZDNI-NSHDSACASA-N -1 0 303.292 -0.743 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NC(=O)N2CCS(=O)(=O)CC2)[C@H]2C[C@H]21 ZINC001571080562 1025816438 /nfs/dbraw/zinc/81/64/38/1025816438.db2.gz YBJYUUODFZXLND-RGOKHQFPSA-N -1 0 302.352 -0.464 20 0 DBADRM COCCN(CC(=O)[O-])CC(=O)NCC(=O)NC(C)(C)C ZINC001571081615 1025817044 /nfs/dbraw/zinc/81/70/44/1025817044.db2.gz OQTTWJMGXMNHFY-UHFFFAOYSA-N -1 0 303.359 -0.950 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)C1 ZINC001571080843 1025817146 /nfs/dbraw/zinc/81/71/46/1025817146.db2.gz WUFLYOSUPYNPDX-KATARQTJSA-N -1 0 303.336 -0.326 20 0 DBADRM CS(=O)(=O)Cc1nnc(C[NH2+][C@H]2CC[C@H](C(=O)[O-])C2)[n-]1 ZINC001571080556 1025817225 /nfs/dbraw/zinc/81/72/25/1025817225.db2.gz XWXXDRGVBIOVGF-YUMQZZPRSA-N -1 0 302.356 -0.308 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnco3)C[C@H]21 ZINC001571084584 1025817267 /nfs/dbraw/zinc/81/72/67/1025817267.db2.gz LTQZEJZBHZFFOJ-HTFKAIDBSA-N -1 0 305.290 -0.418 20 0 DBADRM CC(=O)c1cn(CC(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)nn1 ZINC001571084517 1025817312 /nfs/dbraw/zinc/81/73/12/1025817312.db2.gz KHHAIOHGCHVRND-UHFFFAOYSA-N -1 0 305.250 -0.082 20 0 DBADRM CN(CC(C)(C)CO)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001571081689 1025817348 /nfs/dbraw/zinc/81/73/48/1025817348.db2.gz RYXPTYPLZMHXOQ-UHFFFAOYSA-N -1 0 303.359 -0.373 20 0 DBADRM Cn1nnc2cc(C(=O)NC3(C(=O)[O-])CC(CO)C3)cnc21 ZINC001571084188 1025817607 /nfs/dbraw/zinc/81/76/07/1025817607.db2.gz GBJLGHLZEYTCOY-UHFFFAOYSA-N -1 0 305.294 -0.681 20 0 DBADRM Cc1nnc([C@H]2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)C2)[nH]1 ZINC001571084818 1025818347 /nfs/dbraw/zinc/81/83/47/1025818347.db2.gz OQJSSARSMGAPJJ-QMMMGPOBSA-N -1 0 305.298 -0.581 20 0 DBADRM O=C([O-])C1CCN(C(=O)c2cn(C(F)(F)CO)nn2)CC1 ZINC001571084663 1025819114 /nfs/dbraw/zinc/81/91/14/1025819114.db2.gz FFQYCTTZFPZYSP-UHFFFAOYSA-N -1 0 304.253 -0.244 20 0 DBADRM C[C@](CO)(NC(=O)c1cn(Cc2ccccn2)nn1)C(=O)[O-] ZINC001571084586 1025819373 /nfs/dbraw/zinc/81/93/73/1025819373.db2.gz LWRRASXRUVSMEF-CYBMUJFWSA-N -1 0 305.294 -0.713 20 0 DBADRM Cn1ccn2c(CNC(=O)[C@H]3CC[C@H]3C(=O)[O-])nnc2c1=O ZINC001571084935 1025819446 /nfs/dbraw/zinc/81/94/46/1025819446.db2.gz RQUKNMDROLXQKV-JGVFFNPUSA-N -1 0 305.294 -0.845 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1ccns1)C(=O)[O-] ZINC001571086040 1025820810 /nfs/dbraw/zinc/82/08/10/1025820810.db2.gz GVPOJWRIOJRZRK-OIBJUYFYSA-N -1 0 304.349 -0.239 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001571086442 1025820831 /nfs/dbraw/zinc/82/08/31/1025820831.db2.gz NUTTYEJBRUKWOH-LWINAJNOSA-N -1 0 304.368 -0.316 20 0 DBADRM CC(=O)N1C[C@@H]2CN(C(=O)c3cnc(C(=O)[O-])cn3)C[C@@H]2C1 ZINC001571086062 1025821084 /nfs/dbraw/zinc/82/10/84/1025821084.db2.gz VSCFRRUUPXVFNJ-AOOOYVTPSA-N -1 0 304.306 -0.275 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(Cc2cc3n(n2)CCC3)C1 ZINC001571086031 1025821414 /nfs/dbraw/zinc/82/14/14/1025821414.db2.gz GNQBKSRHSNGYDE-QWHCGFSZSA-N -1 0 304.350 -0.150 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001571086506 1025821436 /nfs/dbraw/zinc/82/14/36/1025821436.db2.gz QITSAVWRMAWLEI-JGVFFNPUSA-N -1 0 304.328 -0.884 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001571086070 1025821536 /nfs/dbraw/zinc/82/15/36/1025821536.db2.gz VXRJLVOKIGPJIQ-UHFFFAOYSA-N -1 0 304.299 -0.116 20 0 DBADRM C[C@@H](O)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001571088381 1025823035 /nfs/dbraw/zinc/82/30/35/1025823035.db2.gz XNPWMDXXBDVXIJ-MREXVIKHSA-N -1 0 305.352 -0.706 20 0 DBADRM C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCS1(=O)=O ZINC001571087548 1025822490 /nfs/dbraw/zinc/82/24/90/1025822490.db2.gz DTKIQJYUIFWJTG-JLIMGVALSA-N -1 0 305.352 -0.300 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCS1(=O)=O ZINC001571087550 1025823075 /nfs/dbraw/zinc/82/30/75/1025823075.db2.gz DTKIQJYUIFWJTG-QEYWKRMJSA-N -1 0 305.352 -0.300 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001571091179 1025823117 /nfs/dbraw/zinc/82/31/17/1025823117.db2.gz AXIMAAANGPEHCV-LURJTMIESA-N -1 0 306.282 -0.384 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)C1CCN(C(=O)[O-])CC1 ZINC001571087606 1025823478 /nfs/dbraw/zinc/82/34/78/1025823478.db2.gz GXFLLENHKNASAF-UHFFFAOYSA-N -1 0 305.356 -0.253 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)[C@@H]3CCOC3)CC2)nc1 ZINC001571091955 1025824067 /nfs/dbraw/zinc/82/40/67/1025824067.db2.gz LYJGISYGSPHDQN-SNVBAGLBSA-N -1 0 306.322 -0.140 20 0 DBADRM CCOC(=O)N1CSC[C@H]1C(=O)NC[C@H](O)CC(=O)[O-] ZINC001571091897 1025824301 /nfs/dbraw/zinc/82/43/01/1025824301.db2.gz LHEBLUCYPIOJKR-SFYZADRCSA-N -1 0 306.340 -0.530 20 0 DBADRM CN(CCS(N)(=O)=O)Cc1noc(CCCC(=O)[O-])n1 ZINC001571092279 1025824354 /nfs/dbraw/zinc/82/43/54/1025824354.db2.gz QGVDCWUDYDXXIV-UHFFFAOYSA-N -1 0 306.344 -0.803 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NS(=O)(=O)Cc1ccon1 ZINC001571092103 1025824681 /nfs/dbraw/zinc/82/46/81/1025824681.db2.gz OOMNPHFZTZQTNN-MRVPVSSYSA-N -1 0 306.296 -0.690 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001571096504 1025829237 /nfs/dbraw/zinc/82/92/37/1025829237.db2.gz LQBMTOCJAFWASK-SVDPJWKOSA-N -1 0 307.368 -0.301 20 0 DBADRM Cc1c[nH]nc1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571091774 1025825778 /nfs/dbraw/zinc/82/57/78/1025825778.db2.gz JJDYUVGYEHKLMB-VHSXEESVSA-N -1 0 306.322 -0.277 20 0 DBADRM O=C([O-])c1cc(C2CN(C(=O)NC[C@@H]3CNC(=O)C3)C2)[nH]n1 ZINC001571095605 1025826209 /nfs/dbraw/zinc/82/62/09/1025826209.db2.gz ADEXNZAJYFSKKF-ZETCQYMHSA-N -1 0 307.310 -0.647 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC001571093701 1025826270 /nfs/dbraw/zinc/82/62/70/1025826270.db2.gz WXDNEJRKHVSBTQ-SNVBAGLBSA-N -1 0 306.384 -0.019 20 0 DBADRM O=C([O-])[C@@H](CC(F)(F)F)NS(=O)(=O)[C@@H]1COC[C@H]1O ZINC001571095917 1025826837 /nfs/dbraw/zinc/82/68/37/1025826837.db2.gz FQMHQLGCZXWIMH-HSUXUTPPSA-N -1 0 307.246 -0.929 20 0 DBADRM CN(C)C1(CS(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)CC1 ZINC001571093576 1025826852 /nfs/dbraw/zinc/82/68/52/1025826852.db2.gz RDHALQQQYGQZLC-LLVKDONJSA-N -1 0 306.384 -0.509 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)N[C@@H]1CCOC[C@H]1O ZINC001571096019 1025826929 /nfs/dbraw/zinc/82/69/29/1025826929.db2.gz GBBIDHYCCYPJKO-LNFKQOIKSA-N -1 0 307.368 -0.301 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H]1CCOC[C@H]1O ZINC001571096015 1025827712 /nfs/dbraw/zinc/82/77/12/1025827712.db2.gz GBBIDHYCCYPJKO-DBIOUOCHSA-N -1 0 307.368 -0.301 20 0 DBADRM NC(=O)Cc1ccc(CNC(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001571095642 1025827793 /nfs/dbraw/zinc/82/77/93/1025827793.db2.gz BHVKMUCPVJLJFS-UHFFFAOYSA-N -1 0 307.306 -0.945 20 0 DBADRM COC[C@@H](O)CCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001571096634 1025828148 /nfs/dbraw/zinc/82/81/48/1025828148.db2.gz PGXCFSGXGHVMJV-ZETCQYMHSA-N -1 0 307.328 -0.908 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])cn1 ZINC001571096575 1025828293 /nfs/dbraw/zinc/82/82/93/1025828293.db2.gz OUKNVXLXTLSBEX-ZWNOBZJWSA-N -1 0 307.310 -0.690 20 0 DBADRM C[C@H](C(=O)N[C@@]1(CC(=O)[O-])CCOC1)[C@H](C)S(C)(=O)=O ZINC001571096527 1025828515 /nfs/dbraw/zinc/82/85/15/1025828515.db2.gz MMETWHFMJDYTRH-HOTUBEGUSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)CCO2)O[C@H]1C(=O)[O-] ZINC001571096987 1025828840 /nfs/dbraw/zinc/82/88/40/1025828840.db2.gz VCWQXXDAEAICBQ-IWSPIJDZSA-N -1 0 307.324 -0.947 20 0 DBADRM CCOC1CC(O)(CNS(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001571097340 1025829062 /nfs/dbraw/zinc/82/90/62/1025829062.db2.gz WVKOZWNRRRUJCE-UHFFFAOYSA-N -1 0 307.368 -0.299 20 0 DBADRM C[C@H](NC(=O)C(C)(C)NC(=O)[O-])c1nnc2c(=O)[nH]ccn21 ZINC001571097704 1025829907 /nfs/dbraw/zinc/82/99/07/1025829907.db2.gz CWQQTGRXIJEYLE-LURJTMIESA-N -1 0 308.298 -0.359 20 0 DBADRM Cn1nc(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])ccc1=O ZINC001571098762 1025830321 /nfs/dbraw/zinc/83/03/21/1025830321.db2.gz YFPHGEXSUSACOI-SECBINFHSA-N -1 0 308.319 -0.338 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)cc1 ZINC001571097754 1025830886 /nfs/dbraw/zinc/83/08/86/1025830886.db2.gz DQMJTEOZCKUHGK-DEZZCRIOSA-N -1 0 308.290 -0.741 20 0 DBADRM CNc1cnc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)cn1 ZINC001571098220 1025830928 /nfs/dbraw/zinc/83/09/28/1025830928.db2.gz OPWYLGBNBOISAS-JGVFFNPUSA-N -1 0 308.294 -0.536 20 0 DBADRM CNc1cnc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)cn1 ZINC001571098218 1025831008 /nfs/dbraw/zinc/83/10/08/1025831008.db2.gz OPWYLGBNBOISAS-HTQZYQBOSA-N -1 0 308.294 -0.536 20 0 DBADRM NC(=O)Cc1csc(NC(=O)Cn2ccc(C(=O)[O-])n2)n1 ZINC001571100246 1025831114 /nfs/dbraw/zinc/83/11/14/1025831114.db2.gz BPUYMRNRHACZCC-UHFFFAOYSA-N -1 0 309.307 -0.296 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)NC[C@H]2C[C@H]2C(=O)[O-])cn1 ZINC001571101412 1025832292 /nfs/dbraw/zinc/83/22/92/1025832292.db2.gz AWZMAWMGVIFQMW-PSASIEDQSA-N -1 0 309.326 -0.187 20 0 DBADRM Cn1nc(NC(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1C(=O)[O-] ZINC001571101003 1025832339 /nfs/dbraw/zinc/83/23/39/1025832339.db2.gz SNQASZCLOVDLIG-ZETCQYMHSA-N -1 0 309.282 -0.213 20 0 DBADRM NC(=O)N[C@H]1CCN(C(=O)CCCn2ccc(C(=O)[O-])n2)C1 ZINC001571101680 1025832669 /nfs/dbraw/zinc/83/26/69/1025832669.db2.gz FTHDCRAAVYBWIK-VIFPVBQESA-N -1 0 309.326 -0.369 20 0 DBADRM Cn1nc(NC(=O)N2CCN3C(=O)OC[C@H]3C2)cc1C(=O)[O-] ZINC001571101002 1025833130 /nfs/dbraw/zinc/83/31/30/1025833130.db2.gz SNQASZCLOVDLIG-SSDOTTSWSA-N -1 0 309.282 -0.213 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1C(=O)[O-] ZINC001571100535 1025833274 /nfs/dbraw/zinc/83/32/74/1025833274.db2.gz KEAYYLFQIFUODD-RKDXNWHRSA-N -1 0 309.278 -0.569 20 0 DBADRM C[C@H](NC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1)C(=O)N(C)C ZINC001571103130 1025833593 /nfs/dbraw/zinc/83/35/93/1025833593.db2.gz XFPLYOPAFJIVOM-ZETCQYMHSA-N -1 0 309.326 -0.307 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CCCn2ncnc21)C(=O)[O-] ZINC001571102684 1025833891 /nfs/dbraw/zinc/83/38/91/1025833891.db2.gz PYPSJUKRXNURIC-CIUDSAMLSA-N -1 0 309.326 -0.751 20 0 DBADRM CC(C)(CNC(=O)NC[C@H](O)CS(C)(=O)=O)CC(=O)[O-] ZINC001571106637 1025835975 /nfs/dbraw/zinc/83/59/75/1025835975.db2.gz SZHWNZNDLYFKHY-QMMMGPOBSA-N -1 0 310.372 -0.808 20 0 DBADRM CN(CCCC(=O)NCc1nnc2n1CCNC2=O)C(=O)[O-] ZINC001571105852 1025836137 /nfs/dbraw/zinc/83/61/37/1025836137.db2.gz BSLLCVBNYJFWCR-UHFFFAOYSA-N -1 0 310.314 -0.972 20 0 DBADRM C[C@](O)(CNC(=O)c1cc2c([nH]c1=O)CCC[C@H]2O)C(=O)[O-] ZINC001571105997 1025836297 /nfs/dbraw/zinc/83/62/97/1025836297.db2.gz CSVAIONDPHLXQS-YGRLFVJLSA-N -1 0 310.306 -0.278 20 0 DBADRM COCC(=O)N1CCO[C@H](CNc2ncc(C(=O)[O-])cn2)C1 ZINC001571105833 1025836437 /nfs/dbraw/zinc/83/64/37/1025836437.db2.gz ASDVAQLKGVCWTQ-SNVBAGLBSA-N -1 0 310.310 -0.540 20 0 DBADRM COC(=O)c1cc(C(=O)CN2C[C@H](O)C[C@@H]2C(=O)[O-])c(C)[nH]1 ZINC001571106541 1025836882 /nfs/dbraw/zinc/83/68/82/1025836882.db2.gz NELSNSWBBPILBB-LDYMZIIASA-N -1 0 310.306 -0.188 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1c[nH]nc1Cl ZINC001571105982 1025837031 /nfs/dbraw/zinc/83/70/31/1025837031.db2.gz COIADFDMZVLBBI-IYSWYEEDSA-N -1 0 309.731 -0.169 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)C[C@H](C)O1 ZINC001571108647 1025837552 /nfs/dbraw/zinc/83/75/52/1025837552.db2.gz YRHSIGIFYYXHPM-WPRPVWTQSA-N -1 0 311.294 -0.630 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2cc(C)n[nH]2)C[C@@H]1C(=O)[O-] ZINC001571107120 1025837833 /nfs/dbraw/zinc/83/78/33/1025837833.db2.gz ZTGYDIJWJCEOJZ-UWVGGRQHSA-N -1 0 310.310 -0.267 20 0 DBADRM C[C@H]1CN(C(=O)Nc2cn(C)nc2C(N)=O)C[C@@H](C(=O)[O-])O1 ZINC001571111747 1025839270 /nfs/dbraw/zinc/83/92/70/1025839270.db2.gz QCAMVPQNJXBLJY-XPUUQOCRSA-N -1 0 311.298 -0.775 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)Nc2cn(C)nc2C(N)=O)C1 ZINC001571111010 1025839443 /nfs/dbraw/zinc/83/94/43/1025839443.db2.gz CBSJQOVMKAFAEE-GFCCVEGCSA-N -1 0 311.298 -0.774 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCN3C(=O)NC[C@H]3C2)O1 ZINC001571111654 1025839517 /nfs/dbraw/zinc/83/95/17/1025839517.db2.gz OKSVFXQEGXDEFX-GARJFASQSA-N -1 0 311.338 -0.365 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H](C)c1ccnn1C)C(=O)[O-] ZINC001571111963 1025839596 /nfs/dbraw/zinc/83/95/96/1025839596.db2.gz UGBATQFSRBSKER-CIUDSAMLSA-N -1 0 311.342 -0.242 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCN3C(=O)NC[C@@H]3C2)O1 ZINC001571111657 1025840001 /nfs/dbraw/zinc/84/00/01/1025840001.db2.gz OKSVFXQEGXDEFX-OUAUKWLOSA-N -1 0 311.338 -0.365 20 0 DBADRM Cn1nccc1[C@H](O)CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001571111985 1025840509 /nfs/dbraw/zinc/84/05/09/1025840509.db2.gz UVKHPFHXKYVPEL-MVWJERBFSA-N -1 0 311.338 -0.018 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001571112917 1025841157 /nfs/dbraw/zinc/84/11/57/1025841157.db2.gz OHUAGGGBOPWALV-ACZMJKKPSA-N -1 0 312.244 -0.747 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)C2=NN(CCO)C(=O)CC2)C1 ZINC001571112682 1025841496 /nfs/dbraw/zinc/84/14/96/1025841496.db2.gz QCNDLHNWDJNLHY-SECBINFHSA-N -1 0 312.326 -0.784 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)C1CS(=O)(=O)C1)c1cccnc1 ZINC001571112678 1025841678 /nfs/dbraw/zinc/84/16/78/1025841678.db2.gz QCLBFRRGIASMAL-CYBMUJFWSA-N -1 0 312.347 -0.068 20 0 DBADRM C[C@H](NC(=O)c1nc(S(N)(=O)=O)c2ccccn12)C(=O)[O-] ZINC001571112497 1025842295 /nfs/dbraw/zinc/84/22/95/1025842295.db2.gz MJFFNKIXTWKDBV-LURJTMIESA-N -1 0 312.307 -0.815 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)NC1(C(=O)[O-])CCCC1 ZINC001571116511 1025843115 /nfs/dbraw/zinc/84/31/15/1025843115.db2.gz GKKIOQAWDRYHMN-GOSISDBHSA-N -1 0 313.401 -0.207 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001571118509 1025843150 /nfs/dbraw/zinc/84/31/50/1025843150.db2.gz DOMKVUVLEDPZEK-UWEQVVMYSA-N -1 0 313.306 -0.338 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001571117131 1025843494 /nfs/dbraw/zinc/84/34/94/1025843494.db2.gz VPXUDEDMNJLZBZ-MXWKQRLJSA-N -1 0 313.354 -0.167 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)NC1(C(=O)[O-])CCCC1 ZINC001571116512 1025843531 /nfs/dbraw/zinc/84/35/31/1025843531.db2.gz GKKIOQAWDRYHMN-SFHVURJKSA-N -1 0 313.401 -0.207 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NS(=O)(=O)c2cccnc2C(=O)[O-])C1 ZINC001571119152 1025845114 /nfs/dbraw/zinc/84/51/14/1025845114.db2.gz WHTHRKXIJXZNNP-JGVFFNPUSA-N -1 0 313.335 -0.288 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])cnn1 ZINC001571118999 1025845204 /nfs/dbraw/zinc/84/52/04/1025845204.db2.gz PPWZTDJOHAIHPG-JTQLQIEISA-N -1 0 313.335 -0.501 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccsc1)C(N)=O ZINC001571119119 1025845358 /nfs/dbraw/zinc/84/53/58/1025845358.db2.gz VCMNROIFVPZUHV-WPRPVWTQSA-N -1 0 313.335 -0.630 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)COc2ccsn2)C[C@@H]1C(=O)[O-] ZINC001571119979 1025845394 /nfs/dbraw/zinc/84/53/94/1025845394.db2.gz OCABLAZBELPJAA-YUMQZZPRSA-N -1 0 314.319 -0.146 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)c1cnc(C2OCCO2)s1 ZINC001571119720 1025845487 /nfs/dbraw/zinc/84/54/87/1025845487.db2.gz LAPQYYWPSUIZRH-ZFUMSHNSSA-N -1 0 314.319 -0.104 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)nnn2C)C(=O)[O-] ZINC001571119482 1025845525 /nfs/dbraw/zinc/84/55/25/1025845525.db2.gz GFZLDOWKKLTIOP-LDWIPMOCSA-N -1 0 314.323 -0.919 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NS(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC001571119059 1025845857 /nfs/dbraw/zinc/84/58/57/1025845857.db2.gz RXXZUEJGNYSKCY-IONNQARKSA-N -1 0 313.335 -0.288 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCN2CCNC2=O)cn1 ZINC001571119278 1025846021 /nfs/dbraw/zinc/84/60/21/1025846021.db2.gz BGOHINRWYADYKJ-UHFFFAOYSA-N -1 0 314.323 -0.917 20 0 DBADRM COCCn1ccc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])n1 ZINC001571119115 1025846149 /nfs/dbraw/zinc/84/61/49/1025846149.db2.gz VAIYYIDIJFZCKY-SNVBAGLBSA-N -1 0 313.310 -0.525 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1csc(C(=O)[O-])n1 ZINC001571123681 1025847129 /nfs/dbraw/zinc/84/71/29/1025847129.db2.gz UQDNOOHXFJYRAV-UHFFFAOYSA-N -1 0 315.307 -0.668 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)N=S(C)(C)=O)[C@@](C)(C(=O)[O-])C1 ZINC001571123777 1025847615 /nfs/dbraw/zinc/84/76/15/1025847615.db2.gz WEOQIXSUJPMXLK-IONNQARKSA-N -1 0 314.385 -0.477 20 0 DBADRM O=C([O-])c1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2nnc[nH]2)nc1 ZINC001571123584 1025847691 /nfs/dbraw/zinc/84/76/91/1025847691.db2.gz RUDSEYXMJLCAOL-BRPSZJMVSA-N -1 0 315.293 -0.843 20 0 DBADRM COC(=O)C1(O)CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001571123513 1025847905 /nfs/dbraw/zinc/84/79/05/1025847905.db2.gz QLYCKSQMABRWRQ-UHFFFAOYSA-N -1 0 315.303 -0.707 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001571122725 1025848060 /nfs/dbraw/zinc/84/80/60/1025848060.db2.gz HQBBXIDTLQPYFZ-UHFFFAOYSA-N -1 0 315.303 -0.707 20 0 DBADRM CON1CCC(NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CC1 ZINC001571126792 1025848648 /nfs/dbraw/zinc/84/86/48/1025848648.db2.gz ZPIFRYUUNNXENQ-GFCCVEGCSA-N -1 0 315.370 -0.121 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(Cc2ccc(-n3ccnc3)nc2)CC1=O ZINC001571125554 1025848654 /nfs/dbraw/zinc/84/86/54/1025848654.db2.gz JXWOBPNBDHLIDQ-LBPRGKRZSA-N -1 0 315.333 -0.006 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cnc1N ZINC001571125390 1025849033 /nfs/dbraw/zinc/84/90/33/1025849033.db2.gz FTYNEIZSTXIEKU-UWVGGRQHSA-N -1 0 315.351 -0.429 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)NC[C@@]1(C)CCC(=O)N1 ZINC001571126228 1025849049 /nfs/dbraw/zinc/84/90/49/1025849049.db2.gz OOPJSYBRZQEMBG-GFCCVEGCSA-N -1 0 315.351 -0.330 20 0 DBADRM C[N@@H+]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@@H](C(=O)[O-])C1 ZINC001571126664 1025849525 /nfs/dbraw/zinc/84/95/25/1025849525.db2.gz VIZGYTYXEQRUTM-ZETCQYMHSA-N -1 0 315.355 -0.923 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCNC(=O)CC1 ZINC001571126584 1025849771 /nfs/dbraw/zinc/84/97/71/1025849771.db2.gz SOJXNDBLYUYIGL-VIFPVBQESA-N -1 0 315.351 -0.330 20 0 DBADRM CC(C)[C@H](NC(=O)CN(CC(N)=O)C1CCOCC1)C(=O)[O-] ZINC001571126746 1025850083 /nfs/dbraw/zinc/85/00/83/1025850083.db2.gz XUJAUMJAXBSPDL-ZDUSSCGKSA-N -1 0 315.370 -0.822 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@@H](C)[C@H](CO)C1)C(=O)[O-] ZINC001571126456 1025850149 /nfs/dbraw/zinc/85/01/49/1025850149.db2.gz RPKRXGDPASCCIO-RCWTZXSCSA-N -1 0 315.370 -0.376 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001571126873 1025850498 /nfs/dbraw/zinc/85/04/98/1025850498.db2.gz XYAKFHNCMBZSCB-GFCCVEGCSA-N -1 0 315.351 -0.155 20 0 DBADRM NC(=O)C1(NCc2cc(C(=O)[O-])co2)CCS(=O)(=O)CC1 ZINC001571128249 1025851054 /nfs/dbraw/zinc/85/10/54/1025851054.db2.gz JJSANMJOYMGAHQ-UHFFFAOYSA-N -1 0 316.335 -0.500 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)c1ccc(C(=O)[O-])cn1)C(N)=O ZINC001571130443 1025851207 /nfs/dbraw/zinc/85/12/07/1025851207.db2.gz CWKNUQWBXLDSHZ-CQSZACIVSA-N -1 0 317.305 -0.350 20 0 DBADRM CC(C)(CNS(=O)(=O)CCCC(=O)[O-])CS(N)(=O)=O ZINC001571131043 1025851410 /nfs/dbraw/zinc/85/14/10/1025851410.db2.gz QEWRAOSWZIMXLC-UHFFFAOYSA-N -1 0 316.401 -0.915 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC001571127693 1025851531 /nfs/dbraw/zinc/85/15/31/1025851531.db2.gz CCNDTOVBDWOUGF-RKDXNWHRSA-N -1 0 316.335 -0.431 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC001571127690 1025851878 /nfs/dbraw/zinc/85/18/78/1025851878.db2.gz CCNDTOVBDWOUGF-DTWKUNHWSA-N -1 0 316.335 -0.431 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)Cc3cc[nH]n3)C2)nc1 ZINC001571128293 1025851916 /nfs/dbraw/zinc/85/19/16/1025851916.db2.gz KVBLTVWNGHBEKC-LLVKDONJSA-N -1 0 316.321 -0.165 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)c2cnc(N)nc2)[C@H](C(=O)[O-])C1 ZINC001571131806 1025852553 /nfs/dbraw/zinc/85/25/53/1025852553.db2.gz UQIHGUWHPZMXGK-APPZFPTMSA-N -1 0 316.339 -0.689 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])no2)C[C@H]1CS(N)(=O)=O ZINC001571132479 1025852863 /nfs/dbraw/zinc/85/28/63/1025852863.db2.gz BNCLNWYJIXIYBL-RQJHMYQMSA-N -1 0 317.323 -0.631 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)NCCC(=O)NCCC(=O)[O-])C(N)=O ZINC001571131845 1025853331 /nfs/dbraw/zinc/85/33/31/1025853331.db2.gz VMQYIUPQAGNRSO-KWQFWETISA-N -1 0 316.358 -0.833 20 0 DBADRM CCOC[C@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCO1 ZINC001571131602 1025853375 /nfs/dbraw/zinc/85/33/75/1025853375.db2.gz MATSSKUBDPTQCG-IJLUTSLNSA-N -1 0 316.354 -0.077 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001571131616 1025853603 /nfs/dbraw/zinc/85/36/03/1025853603.db2.gz MXZMEXYOPZFCSN-QWRGUYRKSA-N -1 0 316.354 -0.130 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)c2cnc(N)nc2)[C@@H](C(=O)[O-])C1 ZINC001571131809 1025853747 /nfs/dbraw/zinc/85/37/47/1025853747.db2.gz UQIHGUWHPZMXGK-VXNVDRBHSA-N -1 0 316.339 -0.689 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1 ZINC001571131874 1025853772 /nfs/dbraw/zinc/85/37/72/1025853772.db2.gz WQMOUQBQQWZTCD-MFKMUULPSA-N -1 0 316.379 -0.266 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCC2N=NC(=O)N2C2CC2)C1 ZINC001571131798 1025853965 /nfs/dbraw/zinc/85/39/65/1025853965.db2.gz UJRWSSJDEVVTLW-WRXNHJIOSA-N -1 0 316.339 -0.399 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)CC(=O)NCC(=O)NC(C)(C)C ZINC001571133479 1025854538 /nfs/dbraw/zinc/85/45/38/1025854538.db2.gz PBWGISSRUVBPHY-SNVBAGLBSA-N -1 0 317.386 -0.561 20 0 DBADRM CN(C(=O)c1cn[nH]n1)C1CC(Nc2ccnc(C(=O)[O-])n2)C1 ZINC001571133162 1025854837 /nfs/dbraw/zinc/85/48/37/1025854837.db2.gz LCXNCFJOOXXXAR-UHFFFAOYSA-N -1 0 317.309 -0.570 20 0 DBADRM CN(CC(N)=O)C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001571132927 1025854964 /nfs/dbraw/zinc/85/49/64/1025854964.db2.gz HYQNFBBLNBPSEM-MRVPVSSYSA-N -1 0 317.342 -0.312 20 0 DBADRM CN(CCn1cnnc1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001571133315 1025854978 /nfs/dbraw/zinc/85/49/78/1025854978.db2.gz MDIABXYQMGMPRX-UHFFFAOYSA-N -1 0 317.371 -0.749 20 0 DBADRM COC[C@@](C)(NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C(=O)OC ZINC001571133355 1025855349 /nfs/dbraw/zinc/85/53/49/1025855349.db2.gz OQDFHHFYUUCHIU-IMSIIYSGSA-N -1 0 317.338 -0.049 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)Cc2ccno2)CC1 ZINC001571133326 1025855969 /nfs/dbraw/zinc/85/59/69/1025855969.db2.gz MHODKSHFGWPFJM-UHFFFAOYSA-N -1 0 317.367 -0.015 20 0 DBADRM Cc1ncc(NC(=O)Cn2ccc(=O)n(C)c2=O)cc1C(=O)[O-] ZINC001571138443 1025856648 /nfs/dbraw/zinc/85/66/48/1025856648.db2.gz WNZIWTYPEGNPIN-UHFFFAOYSA-N -1 0 318.289 -0.413 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@@H]1COc2ccccc2O1 ZINC001571137995 1025856653 /nfs/dbraw/zinc/85/66/53/1025856653.db2.gz PDEKEQYCPAEGQX-CABZTGNLSA-N -1 0 318.289 -0.313 20 0 DBADRM CN(C(=O)c1nc[nH]n1)[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001571133521 1025856853 /nfs/dbraw/zinc/85/68/53/1025856853.db2.gz RFLJNIPUQQUAEE-MRVPVSSYSA-N -1 0 317.309 -0.356 20 0 DBADRM CC[C@@](COC)(NCC(=O)N[C@H](C(=O)[O-])C(C)C)C(=O)OC ZINC001571137742 1025857022 /nfs/dbraw/zinc/85/70/22/1025857022.db2.gz LCTFYWXUCIJZOP-FZMZJTMJSA-N -1 0 318.370 -0.230 20 0 DBADRM C[C@@H]1COCCN1CCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571137450 1025857158 /nfs/dbraw/zinc/85/71/58/1025857158.db2.gz GWKRYXBDDBZCQX-MRVPVSSYSA-N -1 0 318.355 -0.893 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3ccc[nH]3)C[C@H]21 ZINC001571133627 1025857208 /nfs/dbraw/zinc/85/72/08/1025857208.db2.gz RNNXMAWSYKSMBB-MOWSAHLDSA-N -1 0 317.345 -0.149 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2n[nH]nc2c1 ZINC001571133792 1025857240 /nfs/dbraw/zinc/85/72/40/1025857240.db2.gz XFWOEJNOPFYYAS-NSHDSACASA-N -1 0 317.305 -0.237 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)nn1 ZINC001571138233 1025857261 /nfs/dbraw/zinc/85/72/61/1025857261.db2.gz SMGOHUVDKCXKKH-ZKWXMUAHSA-N -1 0 318.280 -0.255 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C[C@H]1CCOC[C@@H]1OC ZINC001571133860 1025857327 /nfs/dbraw/zinc/85/73/27/1025857327.db2.gz YJFJRBUOJJSQEX-MXWKQRLJSA-N -1 0 317.338 -0.049 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cn[nH]n2)CCN1c1ncc(C(=O)[O-])cn1 ZINC001571133867 1025857385 /nfs/dbraw/zinc/85/73/85/1025857385.db2.gz YPIXREGQTDRXBU-APPZFPTMSA-N -1 0 317.309 -0.310 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1 ZINC001571133900 1025857635 /nfs/dbraw/zinc/85/76/35/1025857635.db2.gz ZJECMQLVRNFRHP-XXFSISAASA-N -1 0 317.363 -0.080 20 0 DBADRM CC[C@](COC)(NCC(=O)N[C@H](C(=O)[O-])C(C)C)C(=O)OC ZINC001571137743 1025857677 /nfs/dbraw/zinc/85/76/77/1025857677.db2.gz LCTFYWXUCIJZOP-SMDDNHRTSA-N -1 0 318.370 -0.230 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3ccc[nH]3)C[C@H]21 ZINC001571133630 1025857821 /nfs/dbraw/zinc/85/78/21/1025857821.db2.gz RNNXMAWSYKSMBB-ZXPJVPCYSA-N -1 0 317.345 -0.149 20 0 DBADRM Cc1nonc1C(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001571138237 1025857869 /nfs/dbraw/zinc/85/78/69/1025857869.db2.gz SPLPAYCXNLOFEC-MRVPVSSYSA-N -1 0 318.293 -0.385 20 0 DBADRM CC(C)OC[C@@H](CO)N(C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571137279 1025857895 /nfs/dbraw/zinc/85/78/95/1025857895.db2.gz CWXZQAZIWUXUQG-IJLUTSLNSA-N -1 0 318.370 -0.097 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2cccnn2)C1 ZINC001571140169 1025858778 /nfs/dbraw/zinc/85/87/78/1025858778.db2.gz QIASKBWKEICBRJ-LMLFDSFASA-N -1 0 318.333 -0.178 20 0 DBADRM COC(=O)[C@@H](CCC1OCCO1)NC(=O)C(C)(C)NC(=O)[O-] ZINC001571140303 1025858816 /nfs/dbraw/zinc/85/88/16/1025858816.db2.gz RWOHHNGNJSQNIS-MRVPVSSYSA-N -1 0 318.326 -0.157 20 0 DBADRM CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H](CO)C(=O)[O-])COC1 ZINC001571139334 1025858946 /nfs/dbraw/zinc/85/89/46/1025858946.db2.gz JLGJNJPKFIFPGX-QMMMGPOBSA-N -1 0 318.326 -0.768 20 0 DBADRM C[C@@](O)(CNC(=O)c1cc(S(C)(=O)=O)ccc1F)C(=O)[O-] ZINC001571140636 1025859409 /nfs/dbraw/zinc/85/94/09/1025859409.db2.gz HXZXAVROJBBMBM-GFCCVEGCSA-N -1 0 319.310 -0.205 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001571140891 1025859681 /nfs/dbraw/zinc/85/96/81/1025859681.db2.gz UJGVKYZSDIQVFT-JOYOIKCWSA-N -1 0 318.351 -0.991 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)Cc2cncnc2)CC1 ZINC001571138877 1025859756 /nfs/dbraw/zinc/85/97/56/1025859756.db2.gz FSOLWAUBJWJZJX-VXGBXAGGSA-N -1 0 318.333 -0.589 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2COCC[C@H]2O)c(F)c1 ZINC001571141126 1025860289 /nfs/dbraw/zinc/86/02/89/1025860289.db2.gz LRZXQSAUOBEKEL-NXEZZACHSA-N -1 0 319.310 -0.048 20 0 DBADRM O=C([O-])c1c(NC(=O)Cn2ccc(=O)[nH]c2=O)nc2n1CCC2 ZINC001571141883 1025860448 /nfs/dbraw/zinc/86/04/48/1025860448.db2.gz SZINSFMQVRICSG-UHFFFAOYSA-N -1 0 319.277 -0.572 20 0 DBADRM Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001571140932 1025860614 /nfs/dbraw/zinc/86/06/14/1025860614.db2.gz VRLYYENWHFCQOB-DBIOUOCHSA-N -1 0 318.333 -0.117 20 0 DBADRM C[C@@H](C(=O)NCC[C@H](O)C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC001571142942 1025860628 /nfs/dbraw/zinc/86/06/28/1025860628.db2.gz FBTFQGMCRGPAOE-ONGXEEELSA-N -1 0 319.321 -0.147 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CCSC[C@H]1CCO ZINC001571141128 1025860830 /nfs/dbraw/zinc/86/08/30/1025860830.db2.gz LVPZOXLHMDUHEN-GMTAPVOTSA-N -1 0 318.395 -0.015 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001571143003 1025860879 /nfs/dbraw/zinc/86/08/79/1025860879.db2.gz HKGZLNFQMFZSJX-QMMMGPOBSA-N -1 0 319.339 -0.603 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccn1)C(=O)NCCF ZINC001571142224 1025860943 /nfs/dbraw/zinc/86/09/43/1025860943.db2.gz ZAFPVPQHTACXGZ-ZETCQYMHSA-N -1 0 319.314 -0.468 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571143099 1025863098 /nfs/dbraw/zinc/86/30/98/1025863098.db2.gz LHTVYABDEVKMCR-DTWKUNHWSA-N -1 0 319.339 -0.468 20 0 DBADRM COC(=O)c1[nH]cnc1NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001571145438 1025864379 /nfs/dbraw/zinc/86/43/79/1025864379.db2.gz WRGMSJLAJPTEFL-UHFFFAOYSA-N -1 0 320.261 -0.305 20 0 DBADRM O=C([O-])NC1CCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001571144829 1025864572 /nfs/dbraw/zinc/86/45/72/1025864572.db2.gz YSZSDBALVILNQU-VIFPVBQESA-N -1 0 319.383 -0.137 20 0 DBADRM C[C@@H](CS(=O)(=O)NC[C@@H](CO)Cc1cnn(C)c1)C(=O)[O-] ZINC001571144664 1025864652 /nfs/dbraw/zinc/86/46/52/1025864652.db2.gz SCOPQBKSCYABJL-ONGXEEELSA-N -1 0 319.383 -0.789 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)c3n[nH]cc3F)C2)n1 ZINC001571144911 1025864875 /nfs/dbraw/zinc/86/48/75/1025864875.db2.gz BCAMCNQRSJGBOI-ZETCQYMHSA-N -1 0 320.284 -0.215 20 0 DBADRM C[C@](CO)(NC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1)C(=O)[O-] ZINC001571145685 1025864950 /nfs/dbraw/zinc/86/49/50/1025864950.db2.gz GPLBQCIKYXDPMH-CVEARBPZSA-N -1 0 320.345 -0.214 20 0 DBADRM CS(=O)(=O)C1CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC001571145533 1025865189 /nfs/dbraw/zinc/86/51/89/1025865189.db2.gz BCSHEISHSNQCFU-UHFFFAOYSA-N -1 0 320.348 -0.803 20 0 DBADRM COc1cccc([C@@H](O)C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])c1 ZINC001571145581 1025865328 /nfs/dbraw/zinc/86/53/28/1025865328.db2.gz CQKTVKFCLKZJMJ-NWDGAFQWSA-N -1 0 320.305 -0.410 20 0 DBADRM COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H](O)C(=O)[O-] ZINC001571146518 1025865986 /nfs/dbraw/zinc/86/59/86/1025865986.db2.gz ZWFYRUJIEYIKQK-IUCAKERBSA-N -1 0 320.342 -0.522 20 0 DBADRM Cn1cnc(C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)c1 ZINC001571146167 1025866025 /nfs/dbraw/zinc/86/60/25/1025866025.db2.gz SNBBTBFTYHJBKE-GHMZBOCLSA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1nnc2cc(C(=O)N[C@@H](CC3OCCO3)C(=O)[O-])ccc21 ZINC001571145894 1025866067 /nfs/dbraw/zinc/86/60/67/1025866067.db2.gz NRYQJMKBXOFVRB-JTQLQIEISA-N -1 0 320.305 -0.086 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC001571155957 1025876989 /nfs/dbraw/zinc/87/69/89/1025876989.db2.gz IUGSMNQFZVJLOY-VDDIYKPWSA-N -1 0 322.383 -0.595 20 0 DBADRM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1occc1C(=O)[O-] ZINC001571146317 1025866524 /nfs/dbraw/zinc/86/65/24/1025866524.db2.gz VDGIPCJEMRXYHJ-ZETCQYMHSA-N -1 0 320.323 -0.511 20 0 DBADRM Cc1cnn(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001571146150 1025867234 /nfs/dbraw/zinc/86/72/34/1025867234.db2.gz SAGINHXEPGABMZ-KKOKHZNYSA-N -1 0 320.349 -0.324 20 0 DBADRM Cn1cncc1C(=O)N1CCC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571145847 1025867262 /nfs/dbraw/zinc/86/72/62/1025867262.db2.gz LXVAJQUTHQLVPB-WDEREUQCSA-N -1 0 320.349 -0.138 20 0 DBADRM Cc1cc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n[nH]1 ZINC001571146504 1025867383 /nfs/dbraw/zinc/86/73/83/1025867383.db2.gz ZPSGZKXTSJVRCY-RBLKWDMZSA-N -1 0 320.349 -0.255 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)C(=O)OC ZINC001571145738 1025867529 /nfs/dbraw/zinc/86/75/29/1025867529.db2.gz IWAUCPBPVUWZFY-MRVPVSSYSA-N -1 0 320.323 -0.810 20 0 DBADRM CC(C)OC(=O)CNC(=O)[C@@H](C)SCC(=O)NCC(=O)[O-] ZINC001571149294 1025868037 /nfs/dbraw/zinc/86/80/37/1025868037.db2.gz RTFMQPNONSUZNW-MRVPVSSYSA-N -1 0 320.367 -0.623 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCCN(CCO)CC2)C1 ZINC001571149813 1025868333 /nfs/dbraw/zinc/86/83/33/1025868333.db2.gz MJMQILNOOLTPGK-NEPJUHHUSA-N -1 0 320.411 -0.431 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCOC3)C2)n1 ZINC001571149447 1025868598 /nfs/dbraw/zinc/86/85/98/1025868598.db2.gz XWSKLBMKRWUETM-GMTAPVOTSA-N -1 0 320.349 -0.060 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1=O ZINC001571149304 1025868793 /nfs/dbraw/zinc/86/87/93/1025868793.db2.gz SEBPEQITMRXVMV-UTLUCORTSA-N -1 0 320.367 -0.889 20 0 DBADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1)C1CC1 ZINC001571149405 1025868801 /nfs/dbraw/zinc/86/88/01/1025868801.db2.gz XBDGAOJRBZMMEO-GRYCIOLGSA-N -1 0 320.349 -0.214 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001571149244 1025868908 /nfs/dbraw/zinc/86/89/08/1025868908.db2.gz QLUNEEWYMHPCOZ-IMSYWVGJSA-N -1 0 320.367 -0.697 20 0 DBADRM NC(=O)Cn1cc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)nn1 ZINC001571149752 1025868989 /nfs/dbraw/zinc/86/89/89/1025868989.db2.gz JOYGUBMKPGUZKK-SNVBAGLBSA-N -1 0 321.259 -0.398 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001571151155 1025869925 /nfs/dbraw/zinc/86/99/25/1025869925.db2.gz ROLFRLQHUSCGAD-AATLWQCWSA-N -1 0 321.337 -0.840 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001571150999 1025870256 /nfs/dbraw/zinc/87/02/56/1025870256.db2.gz QGCMFJPDSCEKFZ-KYXWUPHJSA-N -1 0 321.337 -0.542 20 0 DBADRM COC(=O)C1(O)CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001571150547 1025870376 /nfs/dbraw/zinc/87/03/76/1025870376.db2.gz JHAFAHHPTPYEFY-DTORHVGOSA-N -1 0 321.351 -0.821 20 0 DBADRM CCn1cc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001571151127 1025871152 /nfs/dbraw/zinc/87/11/52/1025871152.db2.gz RDXLMFWIGWVKFV-VHSXEESVSA-N -1 0 321.337 -0.697 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001571150224 1025871222 /nfs/dbraw/zinc/87/12/22/1025871222.db2.gz AVKXILGWENUOCR-RKDXNWHRSA-N -1 0 321.337 -0.054 20 0 DBADRM CN(C)c1ccc2nnc(CNC(=O)C(C)(C)NC(=O)[O-])n2n1 ZINC001571151015 1025871376 /nfs/dbraw/zinc/87/13/76/1025871376.db2.gz QKADLFMSMRKKJT-UHFFFAOYSA-N -1 0 321.341 -0.147 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2cn(C(F)(F)CO)nn2)CCSC1 ZINC001571152521 1025872955 /nfs/dbraw/zinc/87/29/55/1025872955.db2.gz CZKKTDWNRFZPJM-VIFPVBQESA-N -1 0 322.293 -0.490 20 0 DBADRM O=C([O-])N1CCN(c2ccc(NC(=O)C3(O)COC3)cn2)CC1 ZINC001571153421 1025873172 /nfs/dbraw/zinc/87/31/72/1025873172.db2.gz NERFDXFVGFHEOK-UHFFFAOYSA-N -1 0 322.321 -0.419 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC001571153719 1025874179 /nfs/dbraw/zinc/87/41/79/1025874179.db2.gz QJLGJZNWFVRFKD-BXKDBHETSA-N -1 0 322.317 -0.069 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)O1 ZINC001571154421 1025874323 /nfs/dbraw/zinc/87/43/23/1025874323.db2.gz YQWPASCYNWPXCA-BBBLOLIVSA-N -1 0 322.321 -0.491 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)CC1(N(C)C)CC1 ZINC001571155606 1025874417 /nfs/dbraw/zinc/87/44/17/1025874417.db2.gz AVICRMQMSUOSOF-SECBINFHSA-N -1 0 322.383 -0.594 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC001571154303 1025874587 /nfs/dbraw/zinc/87/45/87/1025874587.db2.gz KGKBNVOKNFKFJS-MRVPVSSYSA-N -1 0 321.380 -0.676 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnn3c2NCCC3)C[C@H]1C(=O)[O-] ZINC001571153724 1025874652 /nfs/dbraw/zinc/87/46/52/1025874652.db2.gz QJQLLORZSPMNGP-NXEZZACHSA-N -1 0 322.321 -0.356 20 0 DBADRM C[C@]1(CO)C[C@@H](O)CN1S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001571154919 1025875016 /nfs/dbraw/zinc/87/50/16/1025875016.db2.gz XSJTVKCWLXMHHN-ZYHUDNBSSA-N -1 0 321.395 -0.221 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)N[C@]3(CC(=O)[O-])CCOC3)C2)cn1 ZINC001571153749 1025875098 /nfs/dbraw/zinc/87/50/98/1025875098.db2.gz QMEFLRMUYAVNTC-FZMZJTMJSA-N -1 0 322.321 -0.337 20 0 DBADRM Cc1cccc(C[C@@H](CNC(=O)[C@@H](CO)NC(N)=O)C(=O)[O-])c1 ZINC001571158162 1025875521 /nfs/dbraw/zinc/87/55/21/1025875521.db2.gz HSAWVBBJCSRXDN-NWDGAFQWSA-N -1 0 323.349 -0.616 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001571158088 1025875997 /nfs/dbraw/zinc/87/59/97/1025875997.db2.gz GPMMDRPFOJHMDK-PTRXPTGYSA-N -1 0 323.367 -0.527 20 0 DBADRM COC(=O)CCCS(=O)(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001571158344 1025876106 /nfs/dbraw/zinc/87/61/06/1025876106.db2.gz JYBBYTMLDYEEQN-UWVGGRQHSA-N -1 0 323.367 -0.404 20 0 DBADRM CO[C@]1(CNC(=O)[C@@H](NC(=O)[O-])C(C)C)CCS(=O)(=O)C1 ZINC001571155937 1025876746 /nfs/dbraw/zinc/87/67/46/1025876746.db2.gz IEOOXYUIVBFUAE-CABZTGNLSA-N -1 0 322.383 -0.402 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)CC1(N(C)C)CC1)C(=O)[O-] ZINC001571155911 1025876570 /nfs/dbraw/zinc/87/65/70/1025876570.db2.gz HQZHQAQPGRLMFR-SECBINFHSA-N -1 0 322.383 -0.594 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001571155881 1025877052 /nfs/dbraw/zinc/87/70/52/1025877052.db2.gz GZKAEESCZWPAIT-UTLUCORTSA-N -1 0 322.383 -0.880 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)Oc1cnccc1C(=O)[O-] ZINC001571158825 1025877641 /nfs/dbraw/zinc/87/76/41/1025877641.db2.gz UWFTVOAQOGONBC-IBGZPJMESA-N -1 0 323.352 -0.022 20 0 DBADRM C[C@@H](C(=O)[O-])N(CC(F)F)S(=O)(=O)CCS(C)(=O)=O ZINC001571158550 1025878216 /nfs/dbraw/zinc/87/82/16/1025878216.db2.gz NDRVPPDENXRKLZ-LURJTMIESA-N -1 0 323.339 -0.599 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)NCC(=O)NCC(F)(F)F)n1 ZINC001571160449 1025878444 /nfs/dbraw/zinc/87/84/44/1025878444.db2.gz YBUZWPFNDSCHIL-UHFFFAOYSA-N -1 0 323.231 -0.082 20 0 DBADRM C[C@]1(NC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCOC1=O ZINC001571159385 1025878803 /nfs/dbraw/zinc/87/88/03/1025878803.db2.gz GRLUGFIOHAAZDW-OQPBUACISA-N -1 0 323.309 -0.362 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(CCCN2CCCC2=O)CC1 ZINC001571160635 1025878886 /nfs/dbraw/zinc/87/88/86/1025878886.db2.gz CMZVGKXXZSZFKH-QWHCGFSZSA-N -1 0 323.393 -0.136 20 0 DBADRM CC(C)[C@@H](C(=O)N[C@H](Cn1cncn1)C(=O)[O-])N1CCCC1=O ZINC001571159143 1025879015 /nfs/dbraw/zinc/87/90/15/1025879015.db2.gz ZDDMJKAECVQPJS-PWSUYJOCSA-N -1 0 323.353 -0.506 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)Cc2nnc(C3CCOCC3)[nH]2)C1 ZINC001571163620 1025879727 /nfs/dbraw/zinc/87/97/27/1025879727.db2.gz ONGSNAQFAIDNTO-CQSZACIVSA-N -1 0 324.337 -0.711 20 0 DBADRM C[C@H]1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C[C@@H](C(=O)[O-])O1 ZINC001571163889 1025879768 /nfs/dbraw/zinc/87/97/68/1025879768.db2.gz UYCGXIOQMRLRKS-NHCYSSNCSA-N -1 0 324.337 -0.371 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)[C@@]3(F)CCOC3)C2)n1 ZINC001571163431 1025880680 /nfs/dbraw/zinc/88/06/80/1025880680.db2.gz LOYIVBFDEDWKIU-YMTOWFKASA-N -1 0 324.312 -0.262 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCCn2nncc2C1)C(=O)[O-] ZINC001571165022 1025881556 /nfs/dbraw/zinc/88/15/56/1025881556.db2.gz JCHPNVKQNGEJRQ-IUCAKERBSA-N -1 0 324.341 -0.829 20 0 DBADRM C/C=C(\C)C(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001571818644 1026187333 /nfs/dbraw/zinc/18/73/33/1026187333.db2.gz OBCOOXQRFWDLNP-IVGLGHLBSA-N -1 0 309.326 -0.174 20 0 DBADRM CCCC(=O)N[C@@H](C)CCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001572072362 1026248189 /nfs/dbraw/zinc/24/81/89/1026248189.db2.gz KOLVDVJHKNHYJN-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)C[C@H]2C=CCC2)c1[O-] ZINC001572320204 1026336077 /nfs/dbraw/zinc/33/60/77/1026336077.db2.gz QPRASOWLOSKUNU-WDEREUQCSA-N -1 0 322.365 -0.013 20 0 DBADRM CC(C)=CC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001572375381 1026374651 /nfs/dbraw/zinc/37/46/51/1026374651.db2.gz LOLJSYIMCKIVQN-DTWKUNHWSA-N -1 0 321.337 -0.032 20 0 DBADRM CC(=O)[C@](C)(O)CN1CCC(C(=O)[O-])(S(C)(=O)=O)CC1 ZINC001573370551 1026558028 /nfs/dbraw/zinc/55/80/28/1026558028.db2.gz JUPGALDATWDYLF-LLVKDONJSA-N -1 0 307.368 -0.710 20 0 DBADRM CC(=O)NCCN(C(=O)c1cc2ncccn2n1)[C@H](C)C(=O)[O-] ZINC001573348506 1026554318 /nfs/dbraw/zinc/55/43/18/1026554318.db2.gz FUIGYPOESMOSTO-SECBINFHSA-N -1 0 319.321 -0.219 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])c1cnccn1 ZINC001573362869 1026557069 /nfs/dbraw/zinc/55/70/69/1026557069.db2.gz GCTQZNNTCZGBAK-WPRPVWTQSA-N -1 0 313.335 -0.710 20 0 DBADRM C=Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)CNC(=O)[O-])cc1 ZINC001573384377 1026559039 /nfs/dbraw/zinc/55/90/39/1026559039.db2.gz KPWCLZUCQJKGQK-LBPRGKRZSA-N -1 0 321.333 -0.196 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NC[C@@H](CC(C)C)NC(=O)[O-] ZINC001573374889 1026559150 /nfs/dbraw/zinc/55/91/50/1026559150.db2.gz IBRXSCNVOXYEMY-SNVBAGLBSA-N -1 0 316.358 -0.963 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NC[C@H](CC(C)C)NC(=O)[O-] ZINC001573374887 1026559557 /nfs/dbraw/zinc/55/95/57/1026559557.db2.gz IBRXSCNVOXYEMY-JTQLQIEISA-N -1 0 316.358 -0.963 20 0 DBADRM CC(=CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])CN1CCOCC1 ZINC001573386227 1026560438 /nfs/dbraw/zinc/56/04/38/1026560438.db2.gz QKDABPNFIOFDOP-TUOYRWMMSA-N -1 0 322.365 -0.200 20 0 DBADRM CC(=O)c1cncc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)c1 ZINC001573397234 1026560785 /nfs/dbraw/zinc/56/07/85/1026560785.db2.gz IKMGWJCABIXHBJ-RYUDHWBXSA-N -1 0 307.306 -0.015 20 0 DBADRM CC(=O)c1cncc(C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC001573398277 1026561291 /nfs/dbraw/zinc/56/12/91/1026561291.db2.gz ZHQZEMLBSBNIBC-SFYZADRCSA-N -1 0 307.306 -0.008 20 0 DBADRM CC(=O)c1cn(CC(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])nn1 ZINC001573397246 1026561492 /nfs/dbraw/zinc/56/14/92/1026561492.db2.gz IVFDGNLPMCRCFV-NXEZZACHSA-N -1 0 310.310 -0.381 20 0 DBADRM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573401718 1026562681 /nfs/dbraw/zinc/56/26/81/1026562681.db2.gz GJUSWMGSZSYNGU-LLVKDONJSA-N -1 0 321.337 -0.334 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@H](C)N(C)c1ccnc(C(=O)[O-])n1 ZINC001573401293 1026563345 /nfs/dbraw/zinc/56/33/45/1026563345.db2.gz BSDWOTPKPBJCII-VIFPVBQESA-N -1 0 323.353 -0.406 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001573401266 1026563472 /nfs/dbraw/zinc/56/34/72/1026563472.db2.gz BLFXBPYHTOAMDC-SECBINFHSA-N -1 0 323.353 -0.666 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001573400981 1026564148 /nfs/dbraw/zinc/56/41/48/1026564148.db2.gz JXMZQILSDKADRY-JTQLQIEISA-N -1 0 321.337 -0.652 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001573401030 1026564247 /nfs/dbraw/zinc/56/42/47/1026564247.db2.gz KWDQVQRJXWMRQZ-NSHDSACASA-N -1 0 321.337 -0.652 20 0 DBADRM CC(=O)CSCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001573402184 1026564790 /nfs/dbraw/zinc/56/47/90/1026564790.db2.gz IOLBWWYKUPATGO-VIFPVBQESA-N -1 0 302.352 -0.500 20 0 DBADRM CC(=O)N(C)CCCC(=O)N[C@@H](C)CNC(=O)CNC(=O)[O-] ZINC001573402052 1026564972 /nfs/dbraw/zinc/56/49/72/1026564972.db2.gz YPUSJWCHSINDLF-VIFPVBQESA-N -1 0 316.358 -0.867 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H](C)CCNc1ncc(C(=O)[O-])cn1 ZINC001573404050 1026565818 /nfs/dbraw/zinc/56/58/18/1026565818.db2.gz YNPAFBDWNSKXJY-SECBINFHSA-N -1 0 323.353 -0.040 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@H](C(=O)N[C@H](CO)CC(=O)[O-])C1 ZINC001573407911 1026565831 /nfs/dbraw/zinc/56/58/31/1026565831.db2.gz RTLZBYRJGDLVIU-UWVGGRQHSA-N -1 0 316.354 -0.788 20 0 DBADRM CC(=O)N(C)CC(=O)N1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001573402188 1026565840 /nfs/dbraw/zinc/56/58/40/1026565840.db2.gz IQGLSBRIQHBJKD-UHFFFAOYSA-N -1 0 321.337 -0.698 20 0 DBADRM C[C@H](C(=O)[O-])C1CN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001573408209 1026565892 /nfs/dbraw/zinc/56/58/92/1026565892.db2.gz VSDOLNGSTRRYBR-QMMMGPOBSA-N -1 0 302.294 -0.150 20 0 DBADRM CC(=O)N1CCC(NC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1 ZINC001573411270 1026566714 /nfs/dbraw/zinc/56/67/14/1026566714.db2.gz NNYDEMPNVWAERU-SKDRFNHKSA-N -1 0 313.354 -0.119 20 0 DBADRM CC(=O)N1CC2(C1)C[C@@H](NC(=O)CNC(=O)[O-])c1nccn12 ZINC001573410926 1026566962 /nfs/dbraw/zinc/56/69/62/1026566962.db2.gz ZCRNGCGBPAKOGB-SECBINFHSA-N -1 0 307.310 -0.731 20 0 DBADRM CC(=O)N[C@@H](C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-])C(C)C ZINC001573417248 1026567249 /nfs/dbraw/zinc/56/72/49/1026567249.db2.gz HKTBYCSSEFUZCF-CMPLNLGQSA-N -1 0 316.354 -0.130 20 0 DBADRM CC(=O)N1CC(C(=O)NC[C@H](C)Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573410817 1026567357 /nfs/dbraw/zinc/56/73/57/1026567357.db2.gz VWVDFUUAABXOJD-QMMMGPOBSA-N -1 0 321.337 -0.430 20 0 DBADRM CC(=O)N1CCC(OC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001573411752 1026567769 /nfs/dbraw/zinc/56/77/69/1026567769.db2.gz WAQHXPMPDMZTJP-CHWSQXEVSA-N -1 0 310.350 -0.055 20 0 DBADRM CC(=O)N1CC[C@H](N2CCN(c3ncc(C(=O)[O-])cn3)CC2)C1 ZINC001573411801 1026567809 /nfs/dbraw/zinc/56/78/09/1026567809.db2.gz WQMZIFRPVKSEOY-ZDUSSCGKSA-N -1 0 319.365 -0.082 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001573414888 1026568070 /nfs/dbraw/zinc/56/80/70/1026568070.db2.gz WSNHZDVXNFALAU-SECBINFHSA-N -1 0 314.338 -0.233 20 0 DBADRM CC(=O)N1CCCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001573414940 1026568130 /nfs/dbraw/zinc/56/81/30/1026568130.db2.gz XGQDZBIIKXUHGE-VXGBXAGGSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(=O)N[C@@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])C1CCCC1 ZINC001573416908 1026568181 /nfs/dbraw/zinc/56/81/81/1026568181.db2.gz DGZZMFQXKNIHNG-NWDGAFQWSA-N -1 0 323.353 -0.458 20 0 DBADRM CC(=O)N[C@](C)(C(=O)N[C@H](Cn1cncn1)C(=O)[O-])C(C)C ZINC001573417130 1026568189 /nfs/dbraw/zinc/56/81/89/1026568189.db2.gz FBPOMXVXOBEVPV-MFKMUULPSA-N -1 0 311.342 -0.602 20 0 DBADRM CC(=O)N1C[C@@H]2CN(C(=O)c3cc(C(=O)[O-])nn3C)C[C@@H]2C1 ZINC001573418064 1026568978 /nfs/dbraw/zinc/56/89/78/1026568978.db2.gz MYSFCLFTZHWJQV-AOOOYVTPSA-N -1 0 306.322 -0.331 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573421747 1026569433 /nfs/dbraw/zinc/56/94/33/1026569433.db2.gz LNHDKJBEMBEXAE-KCJUWKMLSA-N -1 0 321.337 -0.288 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NCCC[C@H](C)NC(=O)CNC(=O)[O-] ZINC001573420509 1026569843 /nfs/dbraw/zinc/56/98/43/1026569843.db2.gz CIZXHHVTJDUSAW-DTWKUNHWSA-N -1 0 316.358 -0.820 20 0 DBADRM CC(=O)N[C@](C)(C(=O)NCCC(=O)NCCC(=O)[O-])C(C)C ZINC001573419112 1026569849 /nfs/dbraw/zinc/56/98/49/1026569849.db2.gz YFFQNSJDWKLPDM-AWEZNQCLSA-N -1 0 315.370 -0.366 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001573421728 1026570214 /nfs/dbraw/zinc/57/02/14/1026570214.db2.gz LCCBJMJOSOWXBZ-WCBMZHEXSA-N -1 0 321.337 -0.866 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573426494 1026570839 /nfs/dbraw/zinc/57/08/39/1026570839.db2.gz FCULXIIAOAVEIR-BKDNQFJXSA-N -1 0 321.337 -0.242 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@H](NC(=O)CNC(=O)[O-])C(C)C ZINC001573423422 1026570941 /nfs/dbraw/zinc/57/09/41/1026570941.db2.gz YJISZSUVIFTHIG-WPRPVWTQSA-N -1 0 316.358 -0.964 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573423320 1026571232 /nfs/dbraw/zinc/57/12/32/1026571232.db2.gz WRJKENUOVUTJRT-IUCAKERBSA-N -1 0 323.353 -0.136 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573423318 1026571280 /nfs/dbraw/zinc/57/12/80/1026571280.db2.gz WRJKENUOVUTJRT-DTWKUNHWSA-N -1 0 323.353 -0.136 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)[C@@H]1C ZINC001573428019 1026571339 /nfs/dbraw/zinc/57/13/39/1026571339.db2.gz ONWXKKSULSWDQC-WPRPVWTQSA-N -1 0 321.337 -0.866 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573427938 1026571693 /nfs/dbraw/zinc/57/16/93/1026571693.db2.gz MTYQDSPBGPDXSH-NSHDSACASA-N -1 0 321.337 -0.286 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573423321 1026572214 /nfs/dbraw/zinc/57/22/14/1026572214.db2.gz WRJKENUOVUTJRT-RKDXNWHRSA-N -1 0 323.353 -0.136 20 0 DBADRM CC(=O)NCC(=O)N(C)C1CC(Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573428571 1026573512 /nfs/dbraw/zinc/57/35/12/1026573512.db2.gz YCCGAVYPPXCHOP-UHFFFAOYSA-N -1 0 321.337 -0.288 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)NCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001573429214 1026573515 /nfs/dbraw/zinc/57/35/15/1026573515.db2.gz FKCDZFAPQYDSGL-NXEZZACHSA-N -1 0 313.354 -0.898 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)Cn2cnc(C(=O)[O-])cc2=O)C1 ZINC001573428393 1026573523 /nfs/dbraw/zinc/57/35/23/1026573523.db2.gz WANYUNRSBUCOJN-SNVBAGLBSA-N -1 0 322.321 -0.931 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CNC(=O)CNC(=O)[O-] ZINC001573429028 1026573530 /nfs/dbraw/zinc/57/35/30/1026573530.db2.gz ARIGYRIVGKBQHL-QMMMGPOBSA-N -1 0 316.358 -0.963 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@H](CNc2ncc(C(=O)[O-])cn2)C1 ZINC001573428450 1026573664 /nfs/dbraw/zinc/57/36/64/1026573664.db2.gz XFNCDCUUEPHOSP-SNVBAGLBSA-N -1 0 321.337 -0.429 20 0 DBADRM CC(=O)NCC(=O)N[C@@]1(C)CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001573430220 1026573744 /nfs/dbraw/zinc/57/37/44/1026573744.db2.gz QNDPRBZOWXGKNO-AWEZNQCLSA-N -1 0 321.337 -0.604 20 0 DBADRM CC(=O)NCC(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CC1 ZINC001573430632 1026573941 /nfs/dbraw/zinc/57/39/41/1026573941.db2.gz UHDPILWGDNCZTL-UHFFFAOYSA-N -1 0 307.310 -0.628 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@H](N(C)c2ccnc(C(=O)[O-])n2)C1 ZINC001573428566 1026574074 /nfs/dbraw/zinc/57/40/74/1026574074.db2.gz XYXKWBAKKIHGSQ-JTQLQIEISA-N -1 0 321.337 -0.652 20 0 DBADRM CC(=O)N[C@H](C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])C(C)(C)C ZINC001573436869 1026574696 /nfs/dbraw/zinc/57/46/96/1026574696.db2.gz ZJHUJDWYHZTTIS-GXSJLCMTSA-N -1 0 316.354 -0.130 20 0 DBADRM CC(=O)NCC(=O)NC[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001573430952 1026574755 /nfs/dbraw/zinc/57/47/55/1026574755.db2.gz XIKOOACJNUCMFL-SNVBAGLBSA-N -1 0 321.337 -0.747 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC001573434869 1026574785 /nfs/dbraw/zinc/57/47/85/1026574785.db2.gz SXHBMCPIBZGDSM-WOPDTQHZSA-N -1 0 313.354 -0.214 20 0 DBADRM CC(=O)Nc1ccc(C(=O)NCCn2cc(C(=O)[O-])nn2)nc1 ZINC001573443033 1026575509 /nfs/dbraw/zinc/57/55/09/1026575509.db2.gz OTVSLCYEAVUARL-UHFFFAOYSA-N -1 0 318.293 -0.240 20 0 DBADRM CC(=O)NCc1nc2c(s1)CCN(C(=O)CNC(=O)[O-])C2 ZINC001573435929 1026576089 /nfs/dbraw/zinc/57/60/89/1026576089.db2.gz FBGJYXNZBYZUGI-UHFFFAOYSA-N -1 0 312.351 -0.069 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001573464758 1026577272 /nfs/dbraw/zinc/57/72/72/1026577272.db2.gz KNWKJZQMHQXFQO-ISVAXAHUSA-N -1 0 320.342 -0.786 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)[C@H](O)CC(=O)[O-])CCO1 ZINC001573460690 1026577450 /nfs/dbraw/zinc/57/74/50/1026577450.db2.gz OVJPRHOPBUMXEC-BDAKNGLRSA-N -1 0 303.311 -0.609 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)NCCO)C1 ZINC001573450587 1026577847 /nfs/dbraw/zinc/57/78/47/1026577847.db2.gz HCTUKTOTXMQUOU-CYBMUJFWSA-N -1 0 318.326 -0.814 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001573464759 1026578001 /nfs/dbraw/zinc/57/80/01/1026578001.db2.gz KNWKJZQMHQXFQO-OQPBUACISA-N -1 0 320.342 -0.786 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)[C@@H](O)CC(=O)[O-] ZINC001573464412 1026578035 /nfs/dbraw/zinc/57/80/35/1026578035.db2.gz FFNVWXNDRRBZMR-IUCAKERBSA-N -1 0 302.327 -0.052 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CNC(=O)[O-])[C@H](O)C1 ZINC001573465731 1026579474 /nfs/dbraw/zinc/57/94/74/1026579474.db2.gz WXJUGKWISYZSBG-DTWKUNHWSA-N -1 0 317.342 -0.260 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CSC[C@H]1C(=O)[O-] ZINC001573469010 1026579561 /nfs/dbraw/zinc/57/95/61/1026579561.db2.gz VUMRMMUERYNUJH-YUMQZZPRSA-N -1 0 320.367 -0.142 20 0 DBADRM CC(C)[C@H](CNC(=O)C[C@]1(C)CCS(=O)(=O)N1)C(=O)[O-] ZINC001573489522 1026581445 /nfs/dbraw/zinc/58/14/45/1026581445.db2.gz GFIBZMJGNVPOQZ-CABZTGNLSA-N -1 0 306.384 -0.069 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001573495393 1026581507 /nfs/dbraw/zinc/58/15/07/1026581507.db2.gz WCAPAMIEYJEOHY-YTWAJWBKSA-N -1 0 318.395 -0.261 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1)C(=O)[O-] ZINC001573489641 1026581682 /nfs/dbraw/zinc/58/16/82/1026581682.db2.gz HABBDXMSSZZUBN-WOPDTQHZSA-N -1 0 322.365 -0.111 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001573492691 1026581803 /nfs/dbraw/zinc/58/18/03/1026581803.db2.gz ITZHEPCZVJZUCL-VHSXEESVSA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)[C@@H](CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C(=O)[O-] ZINC001573489521 1026581993 /nfs/dbraw/zinc/58/19/93/1026581993.db2.gz GFIBZMJGNVPOQZ-BXKDBHETSA-N -1 0 306.384 -0.069 20 0 DBADRM C[C@@H](CCC(=O)[O-])NC(=O)NC[C@]1(OCCO)CCOC1 ZINC001573540190 1026586672 /nfs/dbraw/zinc/58/66/72/1026586672.db2.gz GRDJJHGYCLCSEC-GXFFZTMASA-N -1 0 304.343 -0.293 20 0 DBADRM CC(C)N1C[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1=O ZINC001573524425 1026583544 /nfs/dbraw/zinc/58/35/44/1026583544.db2.gz CLOSBMJHGQYTGT-SSDOTTSWSA-N -1 0 316.339 -0.605 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1ncc(C(=O)[O-])n1C ZINC001573531436 1026583851 /nfs/dbraw/zinc/58/38/51/1026583851.db2.gz QQIUBQXZONLQCI-QMMMGPOBSA-N -1 0 318.355 -0.369 20 0 DBADRM CC(C)CN1C[C@@H]2CN(C(=O)[C@H](O)CC(=O)[O-])CCN2C1=O ZINC001573516079 1026583960 /nfs/dbraw/zinc/58/39/60/1026583960.db2.gz KHFDFOUOQAXQPK-WDEREUQCSA-N -1 0 313.354 -0.574 20 0 DBADRM CC(C)N1C[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1=O ZINC001573524426 1026584011 /nfs/dbraw/zinc/58/40/11/1026584011.db2.gz CLOSBMJHGQYTGT-ZETCQYMHSA-N -1 0 316.339 -0.605 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001573530786 1026584554 /nfs/dbraw/zinc/58/45/54/1026584554.db2.gz FZXKFJOCXPEEJJ-UWVGGRQHSA-N -1 0 304.368 -0.150 20 0 DBADRM CC(C)S(=O)(=O)CCNC(=O)N1CC([C@H](F)C(=O)[O-])C1 ZINC001573526394 1026585136 /nfs/dbraw/zinc/58/51/36/1026585136.db2.gz NZCZHRCRSUJKIW-VIFPVBQESA-N -1 0 310.347 -0.126 20 0 DBADRM CC(C)OCCS(=O)(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573523384 1026585274 /nfs/dbraw/zinc/58/52/74/1026585274.db2.gz DGEUILNZWWYNDR-ZJUUUORDSA-N -1 0 310.372 -0.699 20 0 DBADRM CC(C)n1ncc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)c1N ZINC001573534672 1026586157 /nfs/dbraw/zinc/58/61/57/1026586157.db2.gz CFXSXAUEDNCDFX-WCBMZHEXSA-N -1 0 311.342 -0.253 20 0 DBADRM C[C@@H](CCC(=O)[O-])NC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC001573541512 1026586515 /nfs/dbraw/zinc/58/65/15/1026586515.db2.gz VWTHKCUKRDLZKP-VIFPVBQESA-N -1 0 321.399 -0.050 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001573540036 1026586843 /nfs/dbraw/zinc/58/68/43/1026586843.db2.gz CBNHVHDBVVOPKX-ZETCQYMHSA-N -1 0 316.339 -0.890 20 0 DBADRM C[C@H](CCC(=O)[O-])NC(=O)NC[C@]1(OCCO)CCOC1 ZINC001573540192 1026587143 /nfs/dbraw/zinc/58/71/43/1026587143.db2.gz GRDJJHGYCLCSEC-ZWNOBZJWSA-N -1 0 304.343 -0.293 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001573540700 1026587294 /nfs/dbraw/zinc/58/72/94/1026587294.db2.gz NGICCFASBBSKJH-NXEZZACHSA-N -1 0 313.354 -0.721 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1ccc(S(C)(=O)=O)nn1 ZINC001573540292 1026587667 /nfs/dbraw/zinc/58/76/67/1026587667.db2.gz JFGYWLFMEXEWRJ-LURJTMIESA-N -1 0 302.312 -0.135 20 0 DBADRM C[C@@H](CNC(=O)N1CC[C@H](CNS(C)(=O)=O)C1)CC(=O)[O-] ZINC001573544139 1026587903 /nfs/dbraw/zinc/58/79/03/1026587903.db2.gz FZOAZCPSQAXHHX-NXEZZACHSA-N -1 0 321.399 -0.322 20 0 DBADRM C[C@H](CNC(=O)NCC1(OCCO)CCOCC1)CC(=O)[O-] ZINC001573544328 1026588840 /nfs/dbraw/zinc/58/88/40/1026588840.db2.gz JCUDAABBBWYHPB-NSHDSACASA-N -1 0 318.370 -0.046 20 0 DBADRM C[C@@H](CNC(=O)NC[C@@]1(CO)COCCN1C)CC(=O)[O-] ZINC001573544146 1026589114 /nfs/dbraw/zinc/58/91/14/1026589114.db2.gz GAFZGRLQRDOSOU-ZWNOBZJWSA-N -1 0 303.359 -0.911 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001573547118 1026589467 /nfs/dbraw/zinc/58/94/67/1026589467.db2.gz HTEVEXKDAXISRF-NSHDSACASA-N -1 0 301.387 -0.084 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)NCc1cc(C(=O)[O-])no1 ZINC001573549925 1026589558 /nfs/dbraw/zinc/58/95/58/1026589558.db2.gz HXHBBUYUPLTVFD-SSDOTTSWSA-N -1 0 319.339 -0.053 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)CC1(C(=O)[O-])CCC1)C(N)=O ZINC001573550168 1026589637 /nfs/dbraw/zinc/58/96/37/1026589637.db2.gz JMYGJCIDBJJVSX-ZDUSSCGKSA-N -1 0 308.338 -0.112 20 0 DBADRM CC(C)O[C@]1(CNC(=O)c2cn(CC(=O)[O-])nn2)CCOC1 ZINC001573549701 1026589652 /nfs/dbraw/zinc/58/96/52/1026589652.db2.gz NGOSPWFFZDMOGU-ZDUSSCGKSA-N -1 0 312.326 -0.323 20 0 DBADRM C[C@H](CNC(=O)NC[C@@]1(CO)COCCN1C)CC(=O)[O-] ZINC001573544144 1026589844 /nfs/dbraw/zinc/58/98/44/1026589844.db2.gz GAFZGRLQRDOSOU-GXFFZTMASA-N -1 0 303.359 -0.911 20 0 DBADRM C[C@@H](CNS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001573550687 1026589852 /nfs/dbraw/zinc/58/98/52/1026589852.db2.gz HNDMTJMIZLZCBE-DTWKUNHWSA-N -1 0 313.397 -0.549 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC001573551840 1026589888 /nfs/dbraw/zinc/58/98/88/1026589888.db2.gz POYVVYDZEINOLK-UHFFFAOYSA-N -1 0 310.372 -0.961 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1c2c(nn1C)CCC2)C(=O)[O-] ZINC001573560063 1026590938 /nfs/dbraw/zinc/59/09/38/1026590938.db2.gz OXXHJCXJERCLEB-YUMQZZPRSA-N -1 0 308.338 -0.384 20 0 DBADRM C[C@@H](NS(=O)(=O)C[C@@H](C)C1CC1)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573560197 1026591123 /nfs/dbraw/zinc/59/11/23/1026591123.db2.gz RNDBUUSKKSUGGV-HLTSFMKQSA-N -1 0 306.384 -0.070 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)NC(=O)NCCc1cn(C)cn1)C(=O)[O-] ZINC001573554023 1026591218 /nfs/dbraw/zinc/59/12/18/1026591218.db2.gz OQZWYHAFAOBVIU-RKDXNWHRSA-N -1 0 311.342 -0.760 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NC(=O)Cc1nnc(C2CC2)[nH]1)C(=O)[O-] ZINC001573554312 1026591266 /nfs/dbraw/zinc/59/12/66/1026591266.db2.gz RYOKEXODGNQZIW-NKWVEPMBSA-N -1 0 309.326 -0.681 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)NC(=O)c1c2c(nn1C)CCC2)C(=O)[O-] ZINC001573560060 1026591315 /nfs/dbraw/zinc/59/13/15/1026591315.db2.gz OXXHJCXJERCLEB-HTQZYQBOSA-N -1 0 308.338 -0.384 20 0 DBADRM C[C@@H](NC(=O)c1c2c(nn1C)CCC2)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573560062 1026591495 /nfs/dbraw/zinc/59/14/95/1026591495.db2.gz OXXHJCXJERCLEB-SFYZADRCSA-N -1 0 308.338 -0.384 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1nc(C(=O)[O-])n[nH]1 ZINC001573559275 1026591508 /nfs/dbraw/zinc/59/15/08/1026591508.db2.gz CBDARPVPTFULQD-PHDIDXHHSA-N -1 0 302.312 -0.885 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ncc2n1CCCC2)C(=O)[O-] ZINC001573560111 1026591819 /nfs/dbraw/zinc/59/18/19/1026591819.db2.gz POZOBMOAYXEATC-RKDXNWHRSA-N -1 0 308.338 -0.073 20 0 DBADRM C[C@H](NC(=O)Cn1cc(C2CC2)nn1)c1nc(C(=O)[O-])n[nH]1 ZINC001573561794 1026593188 /nfs/dbraw/zinc/59/31/88/1026593188.db2.gz IQZQLQVNRWVAGM-LURJTMIESA-N -1 0 305.298 -0.151 20 0 DBADRM C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1(C(=O)[O-])CCOCC1 ZINC001573568954 1026593563 /nfs/dbraw/zinc/59/35/63/1026593563.db2.gz JUIJLAGXXXPXCP-LPEHRKFASA-N -1 0 314.338 -0.595 20 0 DBADRM C[C@H](NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO)c1cnn(C)c1 ZINC001573563336 1026594232 /nfs/dbraw/zinc/59/42/32/1026594232.db2.gz SWRVIRIUZZWYIG-INTQDDNPSA-N -1 0 311.342 -0.249 20 0 DBADRM C[C@H](NS(=O)(=O)[C@H]1CCO[C@H]1C)c1nc(C(=O)[O-])n[nH]1 ZINC001573580355 1026594858 /nfs/dbraw/zinc/59/48/58/1026594858.db2.gz ZNINISUZYURPGB-ACZMJKKPSA-N -1 0 304.328 -0.339 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001573578308 1026595101 /nfs/dbraw/zinc/59/51/01/1026595101.db2.gz CDVBEBHSMWTMLN-XHNCKOQMSA-N -1 0 308.356 -0.937 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001573578306 1026595831 /nfs/dbraw/zinc/59/58/31/1026595831.db2.gz CDVBEBHSMWTMLN-CIUDSAMLSA-N -1 0 308.356 -0.937 20 0 DBADRM C[C@@H](NS(=O)(=O)c1nncn1C)C1(C(=O)[O-])CCOCC1 ZINC001573578667 1026595892 /nfs/dbraw/zinc/59/58/92/1026595892.db2.gz KDZFIUQBCFSVMZ-MRVPVSSYSA-N -1 0 318.355 -0.637 20 0 DBADRM C[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1nnnn1C ZINC001573578468 1026596220 /nfs/dbraw/zinc/59/62/20/1026596220.db2.gz FSMQAMKHULSJIQ-ZETCQYMHSA-N -1 0 311.323 -0.052 20 0 DBADRM C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001573578754 1026596504 /nfs/dbraw/zinc/59/65/04/1026596504.db2.gz MDGOIKKCKJHKQV-YDOATTNVSA-N -1 0 301.390 -0.496 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)NC[C@H](C)CC(=O)[O-] ZINC001573625792 1026604644 /nfs/dbraw/zinc/60/46/44/1026604644.db2.gz LGLGZUANLWXEPR-SSDOTTSWSA-N -1 0 303.340 -0.252 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccc2c(c1)C(=O)NCCO2)C(=O)[O-] ZINC001573582648 1026597294 /nfs/dbraw/zinc/59/72/94/1026597294.db2.gz OGTYTSPWZANMEI-CQSZACIVSA-N -1 0 308.290 -0.626 20 0 DBADRM C[C@@H](O)CN(C(=O)Nc1ncc(C(=O)[O-])n1C)[C@H](C)CO ZINC001573581808 1026597246 /nfs/dbraw/zinc/59/72/46/1026597246.db2.gz KVYGPGCXHKUIGL-HTQZYQBOSA-N -1 0 300.315 -0.286 20 0 DBADRM C[C@H](O)[C@H](O)CN1CCN(c2nc(C(=O)[O-])cs2)CC1 ZINC001573583301 1026597690 /nfs/dbraw/zinc/59/76/90/1026597690.db2.gz SNJQAAVYANMRNL-WCBMZHEXSA-N -1 0 301.368 -0.295 20 0 DBADRM C[C@H](c1nnnn1C)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001573590888 1026597787 /nfs/dbraw/zinc/59/77/87/1026597787.db2.gz YRIKPIMHMVTKCP-SQFXPLBJSA-N -1 0 301.372 -0.431 20 0 DBADRM C[C@H](O)c1cn(CC(=O)NC[C@]2(C(=O)[O-])CCCOC2)nn1 ZINC001573582281 1026598041 /nfs/dbraw/zinc/59/80/41/1026598041.db2.gz LYQOINULLIOLAY-TVQRCGJNSA-N -1 0 312.326 -0.671 20 0 DBADRM C[C@@H](CNC(=O)N1CCC(C(=O)NCCO)CC1)C(=O)[O-] ZINC001573594255 1026598227 /nfs/dbraw/zinc/59/82/27/1026598227.db2.gz XYMVEZKOUJKHIK-VIFPVBQESA-N -1 0 301.343 -0.763 20 0 DBADRM C[C@](O)(CN1CCOC2(CCS(=O)(=O)CC2)C1)C(=O)[O-] ZINC001573583423 1026598285 /nfs/dbraw/zinc/59/82/85/1026598285.db2.gz UMHWTLDMWXKCDL-NSHDSACASA-N -1 0 307.368 -0.898 20 0 DBADRM C[C@]1(C(=O)[O-])CN(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)CCO1 ZINC001573602196 1026600327 /nfs/dbraw/zinc/60/03/27/1026600327.db2.gz SXXRTSVDNTWBSF-NJBDSQKTSA-N -1 0 314.338 -0.325 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CCO1 ZINC001573600706 1026600476 /nfs/dbraw/zinc/60/04/76/1026600476.db2.gz JDMOTRFBLUEAPZ-BFVZDQMLSA-N -1 0 314.338 -0.498 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)CCO1 ZINC001573602197 1026600782 /nfs/dbraw/zinc/60/07/82/1026600782.db2.gz SXXRTSVDNTWBSF-PUHVVEEASA-N -1 0 314.338 -0.325 20 0 DBADRM C[C@]1(C(=O)[O-])CN(C(=O)Nc2ncc(C(N)=O)s2)CCO1 ZINC001573601730 1026600864 /nfs/dbraw/zinc/60/08/64/1026600864.db2.gz QCDPHIZQPGOOFZ-LLVKDONJSA-N -1 0 314.323 -0.051 20 0 DBADRM CC1(C)COC(=O)[C@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573614082 1026601976 /nfs/dbraw/zinc/60/19/76/1026601976.db2.gz FTHYXMQOGTVQLT-ZCFIWIBFSA-N -1 0 303.296 -0.662 20 0 DBADRM CC1(C)CNC(=O)[C@@H]1NC(=O)Nc1nnc(CC(=O)[O-])s1 ZINC001573612653 1026602159 /nfs/dbraw/zinc/60/21/59/1026602159.db2.gz FYBMMFMCTAOTFC-ZETCQYMHSA-N -1 0 313.339 -0.189 20 0 DBADRM CC1=C(C(=O)N2CCCC[C@H]2C(=O)[O-])Cn2nnnc2N1C ZINC001573627039 1026603628 /nfs/dbraw/zinc/60/36/28/1026603628.db2.gz VHWJHGUKLLKWTL-JTQLQIEISA-N -1 0 306.326 -0.137 20 0 DBADRM C[C@@H]1CN(CC(=O)N(C)CC(=O)[O-])CCN1c1cnccn1 ZINC001573649802 1026607270 /nfs/dbraw/zinc/60/72/70/1026607270.db2.gz RXIDVXFMNKLSLS-LLVKDONJSA-N -1 0 307.354 -0.470 20 0 DBADRM C[C@@H](O)c1ncc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])s1 ZINC001573635222 1026607481 /nfs/dbraw/zinc/60/74/81/1026607481.db2.gz KNQAWMMIJFEFNE-APPZFPTMSA-N -1 0 320.392 -0.120 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)NCCCn2ccc(=O)[nH]c2=O)C1 ZINC001573652946 1026607950 /nfs/dbraw/zinc/60/79/50/1026607950.db2.gz KPRJDYYNRYNFFM-CQSZACIVSA-N -1 0 324.337 -0.155 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)N=c1nc[nH]n1C ZINC001573655736 1026609028 /nfs/dbraw/zinc/60/90/28/1026609028.db2.gz YZZCPDADBCJITI-SSDOTTSWSA-N -1 0 305.298 -0.432 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)NCc1cc(C(=O)[O-])no1 ZINC001573653541 1026609234 /nfs/dbraw/zinc/60/92/34/1026609234.db2.gz BCBJSNNTIYNXQV-VIFPVBQESA-N -1 0 312.326 -0.107 20 0 DBADRM C[C@]1(C(N)=O)CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001573653789 1026609424 /nfs/dbraw/zinc/60/94/24/1026609424.db2.gz MHUOQFKGVIOSOL-AWEZNQCLSA-N -1 0 307.306 -0.730 20 0 DBADRM CC[C@@H](C(=O)N1CCC(C(=O)[O-])(S(C)(=O)=O)CC1)[C@H](C)O ZINC001573660695 1026610558 /nfs/dbraw/zinc/61/05/58/1026610558.db2.gz KKBNPFOPHLIMLB-VHSXEESVSA-N -1 0 321.395 -0.116 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573662151 1026610701 /nfs/dbraw/zinc/61/07/01/1026610701.db2.gz TWTGTGWQGANBQF-QEYWKRMJSA-N -1 0 308.356 -0.946 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC001573660752 1026610983 /nfs/dbraw/zinc/61/09/83/1026610983.db2.gz LEBBDOQWIQUJSM-BIIVOSGPSA-N -1 0 310.314 -0.508 20 0 DBADRM CC[C@@H](C)C[C@@H](NC(=O)C1=NN(CCO)C(=O)CC1)C(=O)[O-] ZINC001573672541 1026614228 /nfs/dbraw/zinc/61/42/28/1026614228.db2.gz JHDQFIZDCXZADA-MWLCHTKSSA-N -1 0 313.354 -0.037 20 0 DBADRM C[C@]1(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCC(=O)N1 ZINC001573684187 1026617769 /nfs/dbraw/zinc/61/77/69/1026617769.db2.gz KQWCXHNATOUMHK-LKFCYVNXSA-N -1 0 311.338 -0.906 20 0 DBADRM CC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573680069 1026618336 /nfs/dbraw/zinc/61/83/36/1026618336.db2.gz ZJPWVKUTLVWFRU-NKWVEPMBSA-N -1 0 318.355 -0.311 20 0 DBADRM C[C@@]1(CO)CCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001573684270 1026618387 /nfs/dbraw/zinc/61/83/87/1026618387.db2.gz LUFWIYVKFLYYLC-ZDUSSCGKSA-N -1 0 304.343 -0.339 20 0 DBADRM C[C@@]1(CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCS(=O)(=O)N1 ZINC001573683102 1026618677 /nfs/dbraw/zinc/61/86/77/1026618677.db2.gz ATBZFFXCGKASFI-PTRXPTGYSA-N -1 0 304.368 -0.172 20 0 DBADRM CC1(CCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)OCCO1 ZINC001573686697 1026620434 /nfs/dbraw/zinc/62/04/34/1026620434.db2.gz XQUKNVKNWYEQBI-HZMBPMFUSA-N -1 0 314.338 -0.118 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@H](C)Cc1cn(C)nn1 ZINC001573724100 1026622234 /nfs/dbraw/zinc/62/22/34/1026622234.db2.gz DOBLYYGLFWEOHV-PSASIEDQSA-N -1 0 304.372 -0.081 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573700438 1026622289 /nfs/dbraw/zinc/62/22/89/1026622289.db2.gz UMYMKPBJTRBOMI-AEJSXWLSSA-N -1 0 306.384 -0.069 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N2CCO[C@](C)(C(=O)[O-])C2)nn1 ZINC001573710157 1026622386 /nfs/dbraw/zinc/62/23/86/1026622386.db2.gz VUSSWKLECFHLJN-RNCFNFMXSA-N -1 0 312.326 -0.635 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N1CC2(C1)CCNC(=O)O2 ZINC001573724017 1026622763 /nfs/dbraw/zinc/62/27/63/1026622763.db2.gz BUDUKGXETLTEGI-QMMMGPOBSA-N -1 0 306.340 -0.246 20 0 DBADRM CC[C@H](CNS(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)OC ZINC001573700794 1026622945 /nfs/dbraw/zinc/62/29/45/1026622945.db2.gz XPSIBTXZCIKDRQ-ZCFIWIBFSA-N -1 0 305.312 -0.415 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)nn1 ZINC001573709218 1026623744 /nfs/dbraw/zinc/62/37/44/1026623744.db2.gz GFCONUVKCFNPBV-MIZYBKAJSA-N -1 0 308.338 -0.158 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001573724610 1026624731 /nfs/dbraw/zinc/62/47/31/1026624731.db2.gz NPZUHVOSPVHRAY-XHNCKOQMSA-N -1 0 308.356 -0.808 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NCc1nnc2n1CCOC2 ZINC001573724376 1026625027 /nfs/dbraw/zinc/62/50/27/1026625027.db2.gz JHPMWOUGQLEISL-QMMMGPOBSA-N -1 0 318.355 -0.519 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N[C@H](C)CS(=O)(=O)CC ZINC001573724354 1026625389 /nfs/dbraw/zinc/62/53/89/1026625389.db2.gz JCNBIGXCCHJPKF-BDAKNGLRSA-N -1 0 315.413 -0.018 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N[C@@H](CO)Cc1cnn(C)c1 ZINC001573724788 1026625449 /nfs/dbraw/zinc/62/54/49/1026625449.db2.gz RRFFYUXTRFRWBB-MNOVXSKESA-N -1 0 319.383 -0.504 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NCC(=O)N=S(C)(C)=O ZINC001573724894 1026625458 /nfs/dbraw/zinc/62/54/58/1026625458.db2.gz UFCGYSAPXJZPOC-ZETCQYMHSA-N -1 0 314.385 -0.587 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NCC1N=NC(=O)N1C1CC1 ZINC001573725160 1026625487 /nfs/dbraw/zinc/62/54/87/1026625487.db2.gz XLTVELVLPCAURI-QMMMGPOBSA-N -1 0 318.355 -0.009 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001573724608 1026625549 /nfs/dbraw/zinc/62/55/49/1026625549.db2.gz NPZUHVOSPVHRAY-HRDYMLBCSA-N -1 0 308.356 -0.808 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NCCn1ccc(=O)[nH]c1=O ZINC001573724524 1026625658 /nfs/dbraw/zinc/62/56/58/1026625658.db2.gz MLCWZBDRVVGMEK-QMMMGPOBSA-N -1 0 319.339 -0.878 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NCC1(CO)CCOCC1 ZINC001573724529 1026625897 /nfs/dbraw/zinc/62/58/97/1026625897.db2.gz MOUMJURMAMATNQ-JTQLQIEISA-N -1 0 309.384 -0.052 20 0 DBADRM CCC[C@H](NS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)OC ZINC001573763286 1026627583 /nfs/dbraw/zinc/62/75/83/1026627583.db2.gz BFLFZZGKUALFDU-DTWKUNHWSA-N -1 0 308.356 -0.289 20 0 DBADRM CCCN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@@H](C)C(=O)[O-] ZINC001573743008 1026628724 /nfs/dbraw/zinc/62/87/24/1026628724.db2.gz OSHVSINKSOVGIE-VHSXEESVSA-N -1 0 321.399 -0.386 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC001573768614 1026630200 /nfs/dbraw/zinc/63/02/00/1026630200.db2.gz WDEACOSFZQAKAD-SSDOTTSWSA-N -1 0 305.312 -0.320 20 0 DBADRM CCN(C(=O)Cn1ncc(C(=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 ZINC001573770570 1026630363 /nfs/dbraw/zinc/63/03/63/1026630363.db2.gz XLHSWZYFTRIIGS-QMMMGPOBSA-N -1 0 316.339 -0.988 20 0 DBADRM CCOC(=O)[C@@H](NC(=O)CNC(=O)[O-])[C@@H](O)c1cccnc1 ZINC001573784033 1026631827 /nfs/dbraw/zinc/63/18/27/1026631827.db2.gz AIFKUKGZGVWORZ-QWRGUYRKSA-N -1 0 311.294 -0.570 20 0 DBADRM CCOC(=O)[C@@H](C)[C@@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573781976 1026631939 /nfs/dbraw/zinc/63/19/39/1026631939.db2.gz NDXOTEPNBIWKMY-NKWVEPMBSA-N -1 0 319.339 -0.026 20 0 DBADRM CCOC(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)CC(=O)[O-] ZINC001573788300 1026634458 /nfs/dbraw/zinc/63/44/58/1026634458.db2.gz VZCYCPGZQVCLPV-JGVFFNPUSA-N -1 0 306.340 -0.530 20 0 DBADRM CCN1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H](C)C1 ZINC001573778489 1026633222 /nfs/dbraw/zinc/63/32/22/1026633222.db2.gz XTJKWGXQAHYXPG-MRVPVSSYSA-N -1 0 302.356 -0.177 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N(C)[C@@H](C(=O)[O-])c1cccnc1 ZINC001573786295 1026634343 /nfs/dbraw/zinc/63/43/43/1026634343.db2.gz OJUNDHRAZHAQJJ-CMPLNLGQSA-N -1 0 310.306 -0.020 20 0 DBADRM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001573787957 1026634488 /nfs/dbraw/zinc/63/44/88/1026634488.db2.gz PWSMKQSHKQXPJQ-LMLFDSFASA-N -1 0 314.338 -0.337 20 0 DBADRM CCOC(=O)CCCN1CCOC[C@H]1C(=O)NCC(=O)[O-] ZINC001573786496 1026634590 /nfs/dbraw/zinc/63/45/90/1026634590.db2.gz TWQPTWMVXRAKGI-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)NC1(CC(=O)[O-])COC1 ZINC001573786547 1026634603 /nfs/dbraw/zinc/63/46/03/1026634603.db2.gz UWXPAYAFPLQVCA-UHFFFAOYSA-N -1 0 309.340 -0.507 20 0 DBADRM CCOC(=O)Cn1cnc(NC(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC001573787491 1026634656 /nfs/dbraw/zinc/63/46/56/1026634656.db2.gz CPBSYBKREQWOKR-QMMMGPOBSA-N -1 0 311.298 -0.220 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F ZINC001573786675 1026634759 /nfs/dbraw/zinc/63/47/59/1026634759.db2.gz XTXMBEIMFMAWRB-RITPCOANSA-N -1 0 301.217 -0.178 20 0 DBADRM CCOC(=O)N[C@H](C(=O)NCc1nc(C(=O)[O-])n[nH]1)C(C)C ZINC001573787807 1026635208 /nfs/dbraw/zinc/63/52/08/1026635208.db2.gz MDHCXFXQDYKYOC-QMMMGPOBSA-N -1 0 313.314 -0.110 20 0 DBADRM CCOC(=O)c1cnn(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC001573794022 1026636572 /nfs/dbraw/zinc/63/65/72/1026636572.db2.gz UKHMFFKJIQRALY-SECBINFHSA-N -1 0 310.310 -0.222 20 0 DBADRM CC[C@H](CNC(=O)NCCNS(=O)(=O)NC(C)C)C(=O)[O-] ZINC001573797761 1026636697 /nfs/dbraw/zinc/63/66/97/1026636697.db2.gz CNODQSXXPQLDOS-SECBINFHSA-N -1 0 324.403 -0.771 20 0 DBADRM CCO[C@H](C(=O)N(CC(N)=O)CC(=O)[O-])C1CCOCC1 ZINC001573794859 1026636730 /nfs/dbraw/zinc/63/67/30/1026636730.db2.gz BRFWNDHDFLIHST-LBPRGKRZSA-N -1 0 302.327 -0.783 20 0 DBADRM CCOCn1nc(C)c(CC(=O)NC[C@](C)(O)C(=O)[O-])c1C ZINC001573801595 1026636785 /nfs/dbraw/zinc/63/67/85/1026636785.db2.gz GPQIBXDMYREGPP-AWEZNQCLSA-N -1 0 313.354 -0.012 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1CCCN1C(=O)CNC(C)=O)C(=O)[O-] ZINC001573795092 1026636798 /nfs/dbraw/zinc/63/67/98/1026636798.db2.gz IHXXIHNHLUWWMN-GHMZBOCLSA-N -1 0 313.354 -0.660 20 0 DBADRM CCOCc1cccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC001573802973 1026636968 /nfs/dbraw/zinc/63/69/68/1026636968.db2.gz UYBKVBDGLWBRGL-NSHDSACASA-N -1 0 303.336 -0.053 20 0 DBADRM CCO[C@H]1COCC[C@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573801960 1026637272 /nfs/dbraw/zinc/63/72/72/1026637272.db2.gz KIOTUEXEMIDLQZ-BDAKNGLRSA-N -1 0 319.339 -0.420 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001573807607 1026637932 /nfs/dbraw/zinc/63/79/32/1026637932.db2.gz PNCWHTXFIWFCJT-QMMMGPOBSA-N -1 0 314.385 -0.476 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC([C@H](F)C(=O)[O-])C1 ZINC001573807071 1026638024 /nfs/dbraw/zinc/63/80/24/1026638024.db2.gz DRDNHHVPBYLWSG-APPZFPTMSA-N -1 0 310.347 -0.126 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NCc1cc(C(=O)[O-])no1 ZINC001573807424 1026638920 /nfs/dbraw/zinc/63/89/20/1026638920.db2.gz LDMIUIPJGFDHBS-UHFFFAOYSA-N -1 0 305.312 -0.730 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)NC2(C(=O)[O-])CCOCC2)nn1 ZINC001573813734 1026639330 /nfs/dbraw/zinc/63/93/30/1026639330.db2.gz PZTGKQOZRAZSRZ-VIFPVBQESA-N -1 0 312.326 -0.587 20 0 DBADRM CCn1ccc(CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001573847442 1026641196 /nfs/dbraw/zinc/64/11/96/1026641196.db2.gz ORSVKHVKAFJGNW-ONGXEEELSA-N -1 0 311.342 -0.327 20 0 DBADRM CCn1ccc(CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001573847440 1026641467 /nfs/dbraw/zinc/64/14/67/1026641467.db2.gz ORSVKHVKAFJGNW-KOLCDFICSA-N -1 0 311.342 -0.327 20 0 DBADRM CCc1nccn1CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001573840893 1026641491 /nfs/dbraw/zinc/64/14/91/1026641491.db2.gz UIYWJZDVAOATIX-JTQLQIEISA-N -1 0 316.383 -0.171 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)N2CC[C@@H](NC(N)=O)C2)n1 ZINC001573847533 1026641833 /nfs/dbraw/zinc/64/18/33/1026641833.db2.gz WJCHZLIMBUXDNT-SSDOTTSWSA-N -1 0 310.314 -0.124 20 0 DBADRM CCc1nnc(CNS(=O)(=O)C2CCN(C(=O)[O-])CC2)[nH]1 ZINC001573833591 1026641844 /nfs/dbraw/zinc/64/18/44/1026641844.db2.gz LNROLFCSXCDLAA-UHFFFAOYSA-N -1 0 317.371 -0.071 20 0 DBADRM CN(C(=O)Cn1cnc(C(N)=O)n1)c1cccc(CC(=O)[O-])c1 ZINC001573853039 1026642499 /nfs/dbraw/zinc/64/24/99/1026642499.db2.gz UUKFEBCXEJEEQI-UHFFFAOYSA-N -1 0 317.305 -0.333 20 0 DBADRM CN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@@H](C(=O)[O-])c1cccnc1 ZINC001573851305 1026642616 /nfs/dbraw/zinc/64/26/16/1026642616.db2.gz UQIRPZNAWWFWCU-VHSXEESVSA-N -1 0 313.335 -0.643 20 0 DBADRM CN(C(=O)Nc1ncc(CC(=O)[O-])s1)[C@@H]1COC[C@H]1O ZINC001573851822 1026643574 /nfs/dbraw/zinc/64/35/74/1026643574.db2.gz DMXCVRMKTYFNDZ-HTQZYQBOSA-N -1 0 301.324 -0.006 20 0 DBADRM CN(CC(=O)N[C@H]1CCC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001573864512 1026644567 /nfs/dbraw/zinc/64/45/67/1026644567.db2.gz HPFOAUDXZWQNHR-MXWKQRLJSA-N -1 0 318.395 -0.525 20 0 DBADRM CN(CC(=O)N[C@H]1CCC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001573864511 1026645029 /nfs/dbraw/zinc/64/50/29/1026645029.db2.gz HPFOAUDXZWQNHR-AXFHLTTASA-N -1 0 318.395 -0.525 20 0 DBADRM C[N@H+](CC(=O)NC[C@@]1(C(=O)[O-])CCCOC1)[C@@H]1CCC[C@H]1O ZINC001573864386 1026645754 /nfs/dbraw/zinc/64/57/54/1026645754.db2.gz ASMHPLBFOKKLQQ-JMSVASOKSA-N -1 0 314.382 -0.171 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cc1nnc[nH]1 ZINC001573864479 1026645984 /nfs/dbraw/zinc/64/59/84/1026645984.db2.gz FKJYUBQBRMDREG-VIFPVBQESA-N -1 0 309.326 -0.871 20 0 DBADRM CN(CCCC(=O)Nc1ccc(=O)n(CC(N)=O)c1)C(=O)[O-] ZINC001573870290 1026647471 /nfs/dbraw/zinc/64/74/71/1026647471.db2.gz JTWXLCANDHIPAT-UHFFFAOYSA-N -1 0 310.310 -0.338 20 0 DBADRM CN(C1(CO)CCCC1)S(=O)(=O)N1CCN(C(=O)[O-])CC1 ZINC001573865867 1026647643 /nfs/dbraw/zinc/64/76/43/1026647643.db2.gz QMGCVFOIOAJUJA-UHFFFAOYSA-N -1 0 321.399 -0.236 20 0 DBADRM CN(C)c1n[nH]c(CNS(=O)(=O)C2(C(=O)[O-])CCC2)n1 ZINC001573865652 1026648102 /nfs/dbraw/zinc/64/81/02/1026648102.db2.gz OVMXXOVSGDFTGY-UHFFFAOYSA-N -1 0 303.344 -0.703 20 0 DBADRM CN(CC(=O)[O-])C(=O)CN(CCC(F)(F)F)C[C@H](O)CO ZINC001573865436 1026648347 /nfs/dbraw/zinc/64/83/47/1026648347.db2.gz WBNWQPGBWITPPW-QMMMGPOBSA-N -1 0 316.276 -0.863 20 0 DBADRM CN1CCC[C@H]1c1cc(C(=O)N(CC(N)=O)CC(=O)[O-])n[nH]1 ZINC001573884298 1026649542 /nfs/dbraw/zinc/64/95/42/1026649542.db2.gz BWZSSJZWJBIIDY-JTQLQIEISA-N -1 0 309.326 -0.812 20 0 DBADRM CN1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)Cc1cc(C(=O)[O-])no1 ZINC001573883339 1026649797 /nfs/dbraw/zinc/64/97/97/1026649797.db2.gz UWUXNWOIYINMHL-DTORHVGOSA-N -1 0 315.351 -0.019 20 0 DBADRM CN1CCC[C@@H]1c1cc(C(=O)N(CC(N)=O)CC(=O)[O-])n[nH]1 ZINC001573884299 1026650201 /nfs/dbraw/zinc/65/02/01/1026650201.db2.gz BWZSSJZWJBIIDY-SNVBAGLBSA-N -1 0 309.326 -0.812 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001573882671 1026650879 /nfs/dbraw/zinc/65/08/79/1026650879.db2.gz LUNYGTDVZAFYGM-WXHSDQCUSA-N -1 0 321.333 -0.305 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573885197 1026652018 /nfs/dbraw/zinc/65/20/18/1026652018.db2.gz OJAZMIKUKCRIMP-NWDGAFQWSA-N -1 0 311.382 -0.280 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCCC(=O)[O-] ZINC001573887605 1026652448 /nfs/dbraw/zinc/65/24/48/1026652448.db2.gz FDGFJBDHOZQESG-JGVFFNPUSA-N -1 0 303.315 -0.783 20 0 DBADRM CCN1CCN(CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(=O)C1=O ZINC001573888780 1026652652 /nfs/dbraw/zinc/65/26/52/1026652652.db2.gz KRFMQVQDGXSKHS-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC001573889633 1026654702 /nfs/dbraw/zinc/65/47/02/1026654702.db2.gz OGNOQUHPXTURAH-UWVGGRQHSA-N -1 0 313.354 -0.532 20 0 DBADRM CCOC(=O)[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1CC1 ZINC001573890731 1026654994 /nfs/dbraw/zinc/65/49/94/1026654994.db2.gz MSDVGNGHTFZLBT-VHSXEESVSA-N -1 0 320.367 -0.289 20 0 DBADRM CN1N=C(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)CCC1=O ZINC001573889705 1026655291 /nfs/dbraw/zinc/65/52/91/1026655291.db2.gz VDIMDZUDVJCJQC-NWDGAFQWSA-N -1 0 320.305 -0.707 20 0 DBADRM CNC(=O)CN1CCCN(C(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001573890395 1026655399 /nfs/dbraw/zinc/65/53/99/1026655399.db2.gz OJXSMSJDOZIXOU-UHFFFAOYSA-N -1 0 310.310 -0.733 20 0 DBADRM CNC(=O)CCn1c(C)nnc1N1CCC[C@H](NC(=O)[O-])C1 ZINC001573890515 1026655762 /nfs/dbraw/zinc/65/57/62/1026655762.db2.gz QPFRGCCUMPCKJA-JTQLQIEISA-N -1 0 310.358 -0.041 20 0 DBADRM CCOC(=O)NCCCC(=O)N(CCC(=O)OC)CC(=O)[O-] ZINC001573899820 1026657245 /nfs/dbraw/zinc/65/72/45/1026657245.db2.gz FEHCGXLSOQICMW-UHFFFAOYSA-N -1 0 318.326 -0.011 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(Cc2nc(C(=O)[O-])no2)C1 ZINC001573902645 1026658019 /nfs/dbraw/zinc/65/80/19/1026658019.db2.gz CVRMADMLGXRCLT-SSDOTTSWSA-N -1 0 304.328 -0.719 20 0 DBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001573894570 1026658544 /nfs/dbraw/zinc/65/85/44/1026658544.db2.gz GVDRRGJCCHNNQD-JTQLQIEISA-N -1 0 310.310 -0.080 20 0 DBADRM COC(=O)[C@H](Cc1ccccc1)NCC(=O)N(C)CC(=O)[O-] ZINC001573907930 1026659894 /nfs/dbraw/zinc/65/98/94/1026659894.db2.gz SOIBHRJTQRXQQJ-LBPRGKRZSA-N -1 0 308.334 -0.097 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)CCCN(C)C(=O)[O-] ZINC001573907344 1026660077 /nfs/dbraw/zinc/66/00/77/1026660077.db2.gz OIYDSSWLXFRXLQ-VIFPVBQESA-N -1 0 318.326 -0.203 20 0 DBADRM COC(=O)C[C@@](C)(NC(=O)[C@@H](O)CC(=O)[O-])c1ccncc1 ZINC001573914142 1026660703 /nfs/dbraw/zinc/66/07/03/1026660703.db2.gz FQCQZHZXDMNNEZ-IINYFYTJSA-N -1 0 310.306 -0.188 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)NC2(CC(=O)[O-])COC2)CC1 ZINC001573914310 1026660935 /nfs/dbraw/zinc/66/09/35/1026660935.db2.gz IFQJUNJQQLMFKE-UHFFFAOYSA-N -1 0 321.351 -0.507 20 0 DBADRM COC(=O)C[C@](C)(NC(=O)[C@@H](O)CC(=O)[O-])c1ccncc1 ZINC001573914141 1026661220 /nfs/dbraw/zinc/66/12/20/1026661220.db2.gz FQCQZHZXDMNNEZ-HZMBPMFUSA-N -1 0 310.306 -0.188 20 0 DBADRM COC(=O)C[C@]1(NS(=O)(=O)C2(C(=O)[O-])CCC2)CCOC1 ZINC001573914600 1026661612 /nfs/dbraw/zinc/66/16/12/1026661612.db2.gz NRUDNRRAMQVOLL-LLVKDONJSA-N -1 0 321.351 -0.365 20 0 DBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H]1C ZINC001573914906 1026661927 /nfs/dbraw/zinc/66/19/27/1026661927.db2.gz QPKBLEQPGOYJJP-NKWVEPMBSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)N[C@@H](CC(=O)[O-])C(F)(F)F ZINC001573914493 1026661967 /nfs/dbraw/zinc/66/19/67/1026661967.db2.gz LHQSARLFCGOMBI-WDSKDSINSA-N -1 0 316.232 -0.385 20 0 DBADRM COC(=O)C1(CNS(=O)(=O)Cc2cc(C(=O)[O-])no2)CC1 ZINC001573916868 1026662582 /nfs/dbraw/zinc/66/25/82/1026662582.db2.gz ZHKRYNFUGLKFGQ-UHFFFAOYSA-N -1 0 318.307 -0.255 20 0 DBADRM COC(=O)C1(S(=O)(=O)NCc2cc(C(=O)[O-])no2)CCC1 ZINC001573916799 1026663021 /nfs/dbraw/zinc/66/30/21/1026663021.db2.gz YULBUYVJIMHXLA-UHFFFAOYSA-N -1 0 318.307 -0.112 20 0 DBADRM COC(=O)C1(NS(=O)(=O)C2(C(=O)[O-])CCC2)CCOCC1 ZINC001573915409 1026663188 /nfs/dbraw/zinc/66/31/88/1026663188.db2.gz HGXPGBCQUIXRED-UHFFFAOYSA-N -1 0 321.351 -0.365 20 0 DBADRM COC(=O)C1(NS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCC1 ZINC001573916671 1026663994 /nfs/dbraw/zinc/66/39/94/1026663994.db2.gz URYZVYZPLAZMOP-UHFFFAOYSA-N -1 0 317.323 -0.210 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001573925443 1026665053 /nfs/dbraw/zinc/66/50/53/1026665053.db2.gz IJXAYOLWSYNSEQ-UJNFCWOMSA-N -1 0 311.294 -0.571 20 0 DBADRM COC(=O)Cn1nc(C)c(CNC(=O)[C@@H](O)CC(=O)[O-])c1C ZINC001573922262 1026665424 /nfs/dbraw/zinc/66/54/24/1026665424.db2.gz IRZFRLRZTOMPFT-JTQLQIEISA-N -1 0 313.310 -0.875 20 0 DBADRM COC(=O)NCCC(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001573926382 1026665698 /nfs/dbraw/zinc/66/56/98/1026665698.db2.gz WQPABPKJBBQXGU-OAQYLSRUSA-N -1 0 320.367 -0.443 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1c1n[nH]nc1C(=O)[O-] ZINC001573924728 1026665835 /nfs/dbraw/zinc/66/58/35/1026665835.db2.gz DNQKRSUSIZAPRC-BQBZGAKWSA-N -1 0 311.298 -0.089 20 0 DBADRM COC(=O)NCCC(=O)N1CCC[C@H]1c1n[nH]nc1C(=O)[O-] ZINC001573926376 1026665887 /nfs/dbraw/zinc/66/58/87/1026665887.db2.gz WOWZYUQOZOKYCE-ZETCQYMHSA-N -1 0 311.298 -0.088 20 0 DBADRM COC(=O)COCC(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-] ZINC001573921745 1026665960 /nfs/dbraw/zinc/66/59/60/1026665960.db2.gz OCOAWAZGUWISSA-SECBINFHSA-N -1 0 305.327 -0.049 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001573925435 1026666000 /nfs/dbraw/zinc/66/60/00/1026666000.db2.gz IJXAYOLWSYNSEQ-FXBDTBDDSA-N -1 0 311.294 -0.571 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](NS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C1 ZINC001573931493 1026666993 /nfs/dbraw/zinc/66/69/93/1026666993.db2.gz XLFLQOKKGAQNCC-KXUCPTDWSA-N -1 0 320.367 -0.289 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001573931478 1026667973 /nfs/dbraw/zinc/66/79/73/1026667973.db2.gz XHRPUBJPADYWLW-BDAKNGLRSA-N -1 0 316.335 -0.047 20 0 DBADRM COC(=O)[C@H]1C[C@@H](N(C)S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001573934807 1026668022 /nfs/dbraw/zinc/66/80/22/1026668022.db2.gz CRESDIKNUZYTHF-KNVOCYPGSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001573931530 1026668030 /nfs/dbraw/zinc/66/80/30/1026668030.db2.gz XZZAHBYBPDTEJS-ZJUUUORDSA-N -1 0 320.367 -0.431 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])n[nH]1 ZINC001573938337 1026668688 /nfs/dbraw/zinc/66/86/88/1026668688.db2.gz LROSWVGICWWZGV-SSDOTTSWSA-N -1 0 303.296 -0.566 20 0 DBADRM COC(=O)[C@]1(C)CCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573935437 1026669092 /nfs/dbraw/zinc/66/90/92/1026669092.db2.gz QJOAWIJZEWXZGK-NSHDSACASA-N -1 0 317.323 -0.176 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)NCC1(C(=O)[O-])CC1 ZINC001573935433 1026669249 /nfs/dbraw/zinc/66/92/49/1026669249.db2.gz QFOWZYGJKJZOAC-UHFFFAOYSA-N -1 0 317.323 -0.352 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1n[nH]nc1C(=O)[O-] ZINC001573935565 1026669498 /nfs/dbraw/zinc/66/94/98/1026669498.db2.gz XJUZAEMELRVRPD-XLPZGREQSA-N -1 0 308.294 -0.025 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC001573935232 1026669662 /nfs/dbraw/zinc/66/96/62/1026669662.db2.gz MCFUWYLZCCEAFC-WDSKDSINSA-N -1 0 319.339 -0.108 20 0 DBADRM COC(=O)c1ccc(CNS(=O)(=O)CCC(=O)[O-])cn1 ZINC001573940826 1026671357 /nfs/dbraw/zinc/67/13/57/1026671357.db2.gz SBMUXYQBZFURNF-UHFFFAOYSA-N -1 0 302.308 -0.238 20 0 DBADRM COC(=O)c1cccn(CC(=O)N[C@H](C(=O)[O-])C2CC2)c1=O ZINC001573941072 1026672397 /nfs/dbraw/zinc/67/23/97/1026672397.db2.gz CCODISNFXIYYKM-NSHDSACASA-N -1 0 308.290 -0.386 20 0 DBADRM CO[C@]1(C(=O)Nc2ccn(CC(=O)[O-])n2)CCS(=O)(=O)C1 ZINC001573948007 1026672404 /nfs/dbraw/zinc/67/24/04/1026672404.db2.gz GLELLWDQHIBJDT-LLVKDONJSA-N -1 0 317.323 -0.890 20 0 DBADRM CC[C@H](NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(=O)[O-] ZINC001573943760 1026672518 /nfs/dbraw/zinc/67/25/18/1026672518.db2.gz QTCRQPVUJTUKSX-WOPDTQHZSA-N -1 0 300.355 -0.154 20 0 DBADRM CO[C@]1(CNS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCOC1 ZINC001573955038 1026673223 /nfs/dbraw/zinc/67/32/23/1026673223.db2.gz USQIGTOFJXBPAE-NSHDSACASA-N -1 0 319.339 -0.500 20 0 DBADRM CO[C@H](CNC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO)C1CC1 ZINC001573949044 1026673573 /nfs/dbraw/zinc/67/35/73/1026673573.db2.gz MKJUCDOAOXBLIP-GMTAPVOTSA-N -1 0 301.343 -0.319 20 0 DBADRM COC1(C[C@H](NC(=O)Cn2nc(C)oc2=O)C(=O)[O-])CCC1 ZINC001573952662 1026673694 /nfs/dbraw/zinc/67/36/94/1026673694.db2.gz CXDCWXQFBIAVNO-VIFPVBQESA-N -1 0 313.310 -0.327 20 0 DBADRM COC1(C(=O)Nc2cc(C(=O)[O-])n(C)c2)CS(=O)(=O)C1 ZINC001573948160 1026674138 /nfs/dbraw/zinc/67/41/38/1026674138.db2.gz GYRQPSNJVCTJTJ-UHFFFAOYSA-N -1 0 302.308 -0.525 20 0 DBADRM CO[C@@]1(C(=O)Nc2ccc(C(=O)[O-])nc2)CCS(=O)(=O)C1 ZINC001573949121 1026674303 /nfs/dbraw/zinc/67/43/03/1026674303.db2.gz MYZYKSWHWULMPX-LBPRGKRZSA-N -1 0 314.319 -0.078 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1n[nH]cc1C(=O)[O-])C(F)(F)F ZINC001573949331 1026674394 /nfs/dbraw/zinc/67/43/94/1026674394.db2.gz PQEYSRIIQVMIBL-YFKPBYRVSA-N -1 0 317.245 -0.037 20 0 DBADRM COCC(=O)NCCC(=O)N(C)c1ncc(CC(=O)[O-])s1 ZINC001573965850 1026675924 /nfs/dbraw/zinc/67/59/24/1026675924.db2.gz BOKAMZSCWNUFMZ-UHFFFAOYSA-N -1 0 315.351 -0.114 20 0 DBADRM COCC(=O)Nc1cccc(CNC(=O)[C@H](O)CC(=O)[O-])c1 ZINC001573965773 1026676116 /nfs/dbraw/zinc/67/61/16/1026676116.db2.gz AQWFXJVJTPRMHY-LLVKDONJSA-N -1 0 310.306 -0.277 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCCN(C)C(=O)[O-] ZINC001573966037 1026678137 /nfs/dbraw/zinc/67/81/37/1026678137.db2.gz DLCKGBIBTAECRD-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573968071 1026679267 /nfs/dbraw/zinc/67/92/67/1026679267.db2.gz BBVUZWHRGMQADU-SNVBAGLBSA-N -1 0 307.328 -0.908 20 0 DBADRM COC[C@H](NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO)C1CC1 ZINC001573969151 1026680285 /nfs/dbraw/zinc/68/02/85/1026680285.db2.gz RXSOGKBDVPGODQ-MXWKQRLJSA-N -1 0 301.343 -0.319 20 0 DBADRM COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001573986570 1026686809 /nfs/dbraw/zinc/68/68/09/1026686809.db2.gz XZUSGQOXOYHNKP-YUMQZZPRSA-N -1 0 306.315 -0.912 20 0 DBADRM COCC[C@H](COC)NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573975336 1026680920 /nfs/dbraw/zinc/68/09/20/1026680920.db2.gz PSPASBOQQFBCIV-GMTAPVOTSA-N -1 0 319.358 -0.692 20 0 DBADRM COCC1(S(=O)(=O)N2C[C@H](C(=O)[O-])C3(COC3)C2)CCC1 ZINC001573974633 1026681106 /nfs/dbraw/zinc/68/11/06/1026681106.db2.gz LOAFMQPUJBVEQS-SNVBAGLBSA-N -1 0 319.379 -0.082 20 0 DBADRM CCn1cc(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cn1 ZINC001573971314 1026681306 /nfs/dbraw/zinc/68/13/06/1026681306.db2.gz PGSDDNNVKGVYDS-SNVBAGLBSA-N -1 0 315.351 -0.844 20 0 DBADRM COCC[C@H](COC)NC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573975335 1026681550 /nfs/dbraw/zinc/68/15/50/1026681550.db2.gz PSPASBOQQFBCIV-AXFHLTTASA-N -1 0 319.358 -0.692 20 0 DBADRM CN(C)C(=O)C1(CNC(=O)c2cn(CC(=O)[O-])nn2)CCCC1 ZINC001573983604 1026683717 /nfs/dbraw/zinc/68/37/17/1026683717.db2.gz VUPIVGDXTXZTQF-UHFFFAOYSA-N -1 0 323.353 -0.259 20 0 DBADRM COCC[C@H](NC(=O)N[C@H](CC(=O)[O-])C(F)(F)F)C(N)=O ZINC001573977346 1026684124 /nfs/dbraw/zinc/68/41/24/1026684124.db2.gz BPDKLTGPJKSJMW-NTSWFWBYSA-N -1 0 315.248 -0.418 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1)C(=O)[O-] ZINC001573986606 1026685262 /nfs/dbraw/zinc/68/52/62/1026685262.db2.gz ZMRZRLAEOBMDLG-IUCAKERBSA-N -1 0 316.310 -0.311 20 0 DBADRM COC[C@H](NC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C)C(=O)[O-] ZINC001573991310 1026685369 /nfs/dbraw/zinc/68/53/69/1026685369.db2.gz SFMPVDRSCUYNBT-VIFPVBQESA-N -1 0 321.293 -0.494 20 0 DBADRM CO[C@@H]1CCC[C@H]1NC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001573991984 1026685772 /nfs/dbraw/zinc/68/57/72/1026685772.db2.gz ADZSAGCTQDBUBX-ZYUZMQFOSA-N -1 0 301.343 -0.169 20 0 DBADRM COCCn1nc(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)ccc1=O ZINC001573986568 1026686043 /nfs/dbraw/zinc/68/60/43/1026686043.db2.gz XZDGSCHLMXCRNH-GBIKHYSHSA-N -1 0 321.333 -0.318 20 0 DBADRM COC[C@H](NC(=O)Cn1nnnc1-c1ccccc1)C(=O)[O-] ZINC001573986076 1026686490 /nfs/dbraw/zinc/68/64/90/1026686490.db2.gz SDWACYHCPDDCMN-JTQLQIEISA-N -1 0 305.294 -0.444 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)N1CCO[C@@](C)(C(=O)[O-])C1 ZINC001573992040 1026686708 /nfs/dbraw/zinc/68/67/08/1026686708.db2.gz DROBJNVCQGAOBS-GIPNMCIBSA-N -1 0 302.327 -0.325 20 0 DBADRM COCCn1cc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)cn1 ZINC001573986548 1026686858 /nfs/dbraw/zinc/68/68/58/1026686858.db2.gz XHKVQRWXOGMQTM-MNOVXSKESA-N -1 0 312.326 -0.770 20 0 DBADRM CC(C)[C@H](C)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001574004870 1026688250 /nfs/dbraw/zinc/68/82/50/1026688250.db2.gz ZCTCHQNGNIMWLJ-QMMMGPOBSA-N -1 0 321.341 -0.463 20 0 DBADRM COCc1nn(C)cc1C(=O)N[C@@H](C)c1nc(C(=O)[O-])n[nH]1 ZINC001573993682 1026688603 /nfs/dbraw/zinc/68/86/03/1026688603.db2.gz VHMIBRVAQLINDZ-LURJTMIESA-N -1 0 308.298 -0.126 20 0 DBADRM CON1CCC(N(C)S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC001573992706 1026688951 /nfs/dbraw/zinc/68/89/51/1026688951.db2.gz JLQKNWRWERPHPL-UHFFFAOYSA-N -1 0 318.355 -0.246 20 0 DBADRM CS(=O)(=O)c1ccc(CNC(=O)[C@@H](O)CC(=O)[O-])s1 ZINC001574059231 1026698396 /nfs/dbraw/zinc/69/83/96/1026698396.db2.gz FBCDQGCFMYHUSC-ZETCQYMHSA-N -1 0 307.349 -0.397 20 0 DBADRM COc1cc(C(N)=O)ccc1NC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001574012227 1026689609 /nfs/dbraw/zinc/68/96/09/1026689609.db2.gz GGENKSVOZGXLTE-ZDUSSCGKSA-N -1 0 311.294 -0.249 20 0 DBADRM COc1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)on1 ZINC001574012472 1026690938 /nfs/dbraw/zinc/69/09/38/1026690938.db2.gz MHWIKZDNFDXMQH-QWRGUYRKSA-N -1 0 307.262 -0.005 20 0 DBADRM COc1cc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)sn1 ZINC001574012475 1026691021 /nfs/dbraw/zinc/69/10/21/1026691021.db2.gz MKVVVOQUOYCFNM-BQBZGAKWSA-N -1 0 301.324 -0.148 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001574032406 1026692081 /nfs/dbraw/zinc/69/20/81/1026692081.db2.gz WWKIPBXEJOQCRU-VIFPVBQESA-N -1 0 313.354 -0.802 20 0 DBADRM CNC(=O)CC[C@@H]1CCCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001574031740 1026692348 /nfs/dbraw/zinc/69/23/48/1026692348.db2.gz FKDTWRIHSHYBNK-JTQLQIEISA-N -1 0 323.353 -0.116 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N[C@H](C)CC(=O)[O-])C1=O ZINC001574046984 1026694270 /nfs/dbraw/zinc/69/42/70/1026694270.db2.gz IURLFVWBFMBDQA-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM COc1ccccc1OCCC(=O)N(CC(N)=O)CC(=O)[O-] ZINC001574052702 1026694362 /nfs/dbraw/zinc/69/43/62/1026694362.db2.gz VBEDCPMXBHVNSU-UHFFFAOYSA-N -1 0 310.306 -0.137 20 0 DBADRM COc1cncc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)n1 ZINC001574052074 1026694405 /nfs/dbraw/zinc/69/44/05/1026694405.db2.gz GEYZSUPCUKFNGN-RYUDHWBXSA-N -1 0 318.289 -0.203 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001574047052 1026694472 /nfs/dbraw/zinc/69/44/72/1026694472.db2.gz RQYKPGAIRDIXHU-ZYUZMQFOSA-N -1 0 300.311 -0.585 20 0 DBADRM COc1cccnc1CC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001574052538 1026695032 /nfs/dbraw/zinc/69/50/32/1026695032.db2.gz RUZUFHVYCXSRET-MWLCHTKSSA-N -1 0 309.322 -0.280 20 0 DBADRM COc1cncc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)n1 ZINC001574052072 1026695038 /nfs/dbraw/zinc/69/50/38/1026695038.db2.gz GEYZSUPCUKFNGN-NEPJUHHUSA-N -1 0 318.289 -0.203 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N[C@@H](C)CC(=O)[O-])C1=O ZINC001574046986 1026695180 /nfs/dbraw/zinc/69/51/80/1026695180.db2.gz IURLFVWBFMBDQA-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001574046943 1026695242 /nfs/dbraw/zinc/69/52/42/1026695242.db2.gz RAGGQAOWYYLVSE-UJNFCWOMSA-N -1 0 314.294 -0.605 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H](OC)[C@H]1CCOC1 ZINC001574055727 1026696252 /nfs/dbraw/zinc/69/62/52/1026696252.db2.gz QGPBRELPCFYHNM-JOYOIKCWSA-N -1 0 303.311 -0.486 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])n1 ZINC001574056709 1026696865 /nfs/dbraw/zinc/69/68/65/1026696865.db2.gz DPGLYHWLVVBMAL-DTWKUNHWSA-N -1 0 315.351 -0.023 20 0 DBADRM CS(=O)(=O)Cc1n[nH]c(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])n1 ZINC001574056555 1026697121 /nfs/dbraw/zinc/69/71/21/1026697121.db2.gz AHGAUECXJBFTHY-NKWVEPMBSA-N -1 0 316.339 -0.924 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001574057836 1026698050 /nfs/dbraw/zinc/69/80/50/1026698050.db2.gz ZPKZPSKVGGZPIS-UHFFFAOYSA-N -1 0 302.308 -0.073 20 0 DBADRM CS(=O)(=O)Nc1ccccc1CNC(=O)[C@H](O)CC(=O)[O-] ZINC001574059521 1026698290 /nfs/dbraw/zinc/69/82/90/1026698290.db2.gz NHQLYJOJVXUFHM-SNVBAGLBSA-N -1 0 316.335 -0.490 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CC(=O)[O-])cn1 ZINC001574059035 1026698380 /nfs/dbraw/zinc/69/83/80/1026698380.db2.gz AKIHYIHJYZEICQ-MRVPVSSYSA-N -1 0 302.308 -0.950 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC001574059389 1026698472 /nfs/dbraw/zinc/69/84/72/1026698472.db2.gz JYECUEQSDQWALD-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM CS(=O)(=O)Cc1nnc(C[NH2+]Cc2ccc(C(=O)[O-])[nH]2)[n-]1 ZINC001574057738 1026698497 /nfs/dbraw/zinc/69/84/97/1026698497.db2.gz XARCLHVOBFHRON-UHFFFAOYSA-N -1 0 313.339 -0.335 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)CO[C@H]2CCOC2)CC1 ZINC001574059084 1026698684 /nfs/dbraw/zinc/69/86/84/1026698684.db2.gz CMZHIUVUQJQGEB-CHNSCGDPSA-N -1 0 319.379 -0.384 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)CN2CCOCC2)CC1 ZINC001574059287 1026698916 /nfs/dbraw/zinc/69/89/16/1026698916.db2.gz HCOHLHKJPRMOIM-OAQYLSRUSA-N -1 0 318.395 -0.857 20 0 DBADRM COC(=O)NCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001574075780 1026699954 /nfs/dbraw/zinc/69/99/54/1026699954.db2.gz KWHRKDUAPDRSJM-UFBFGSQYSA-N -1 0 301.299 -0.915 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CCN1CCOC1=O)C(=O)[O-] ZINC001574063652 1026700017 /nfs/dbraw/zinc/70/00/17/1026700017.db2.gz VYAXLASAXSPCPB-QMMMGPOBSA-N -1 0 302.283 -0.649 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001574077318 1026700272 /nfs/dbraw/zinc/70/02/72/1026700272.db2.gz OVINRDJJFYUGHF-ZKWXMUAHSA-N -1 0 300.311 -0.720 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC001574060075 1026700324 /nfs/dbraw/zinc/70/03/24/1026700324.db2.gz WFBPWXWJTCFKCE-VHSXEESVSA-N -1 0 320.367 -0.984 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001574060136 1026700880 /nfs/dbraw/zinc/70/08/80/1026700880.db2.gz YQRSMWNZYSOFOR-AEJSXWLSSA-N -1 0 304.368 -0.363 20 0 DBADRM COC(=O)c1cnc(CCNC(=O)[C@H](OC)C(=O)[O-])s1 ZINC001574095629 1026702214 /nfs/dbraw/zinc/70/22/14/1026702214.db2.gz SDONSKWNBSPSDQ-QMMMGPOBSA-N -1 0 302.308 -0.312 20 0 DBADRM COC(=O)c1cccn(CC(=O)Nc2c[nH]nc2C(=O)[O-])c1=O ZINC001574094331 1026702581 /nfs/dbraw/zinc/70/25/81/1026702581.db2.gz DUAFHGOYYSDBCG-UHFFFAOYSA-N -1 0 320.261 -0.305 20 0 DBADRM COC(=O)c1ccc(C(=O)NCCOCCOCC(=O)[O-])[nH]1 ZINC001574085128 1026702938 /nfs/dbraw/zinc/70/29/38/1026702938.db2.gz ISSGNPZYOVSFOX-UHFFFAOYSA-N -1 0 314.294 -0.351 20 0 DBADRM CSC[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC001574096182 1026703561 /nfs/dbraw/zinc/70/35/61/1026703561.db2.gz AQANUWWMBNMLLQ-SSDOTTSWSA-N -1 0 319.426 -0.843 20 0 DBADRM CSC[C@@H](NC(=O)[C@@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001574097237 1026703606 /nfs/dbraw/zinc/70/36/06/1026703606.db2.gz YOTHWJGVUUBHPI-RNFRBKRXSA-N -1 0 300.340 -0.522 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)c2cnns2)CC1 ZINC001574097539 1026704516 /nfs/dbraw/zinc/70/45/16/1026704516.db2.gz PHHZQKJMCIBDEW-IBGZPJMESA-N -1 0 303.365 -0.024 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC001574097727 1026704779 /nfs/dbraw/zinc/70/47/79/1026704779.db2.gz RXORMMQREZCGQR-VIFPVBQESA-N -1 0 314.385 -0.570 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)c2cnns2)CC1 ZINC001574097540 1026704947 /nfs/dbraw/zinc/70/49/47/1026704947.db2.gz PHHZQKJMCIBDEW-LJQANCHMSA-N -1 0 303.365 -0.024 20 0 DBADRM CS(C)(=O)=NC(=O)CNS(=O)(=O)C1(CC(=O)[O-])CC1 ZINC001574098113 1026705975 /nfs/dbraw/zinc/70/59/75/1026705975.db2.gz XFZAVZUCNNYZBP-UHFFFAOYSA-N -1 0 312.369 -0.833 20 0 DBADRM Cc1[nH]c(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1C(=O)[O-] ZINC001574113995 1026706317 /nfs/dbraw/zinc/70/63/17/1026706317.db2.gz RHCZNUOEXIWHGH-GHMZBOCLSA-N -1 0 307.306 -0.249 20 0 DBADRM Cc1n[nH]c(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)c1C(=O)[O-] ZINC001574114033 1026706763 /nfs/dbraw/zinc/70/67/63/1026706763.db2.gz SLSIKKJFIVIPFP-LLVKDONJSA-N -1 0 308.338 -0.199 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@H]1CCOC[C@H]1Nc1ccnc(C)n1 ZINC001574107067 1026707756 /nfs/dbraw/zinc/70/77/56/1026707756.db2.gz ZGGAZJQLRFFTCS-HOSYDEDBSA-N -1 0 324.337 -0.430 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCN1S(C)(=O)=O ZINC001574113355 1026707991 /nfs/dbraw/zinc/70/79/91/1026707991.db2.gz UJZNOKGEGFAOGL-GARJFASQSA-N -1 0 318.395 -0.020 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccnc(S(C)(=O)=O)c1 ZINC001574111596 1026708275 /nfs/dbraw/zinc/70/82/75/1026708275.db2.gz OBGMDCSXBOPBHK-LLVKDONJSA-N -1 0 302.308 -0.087 20 0 DBADRM COC[C@](C)(NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)C(=O)OC ZINC001574120712 1026709109 /nfs/dbraw/zinc/70/91/09/1026709109.db2.gz ZDIIUDKKYFNNOC-RBZYPMLTSA-N -1 0 317.338 -0.049 20 0 DBADRM Cc1c(C(=O)N[C@@H](C(=O)[O-])C2CC2)nnn1-c1cnn(C)c1 ZINC001574114489 1026709391 /nfs/dbraw/zinc/70/93/91/1026709391.db2.gz VHGLMBCOMHAJIO-LLVKDONJSA-N -1 0 304.310 -0.098 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001574114394 1026709785 /nfs/dbraw/zinc/70/97/85/1026709785.db2.gz UQXGPQZKEAPQJR-QWHCGFSZSA-N -1 0 304.306 -0.041 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[C@H](NC(=O)CCNC(=O)[O-])C2)n1 ZINC001574128383 1026710831 /nfs/dbraw/zinc/71/08/31/1026710831.db2.gz TXPRBUWYGLEGSA-VIFPVBQESA-N -1 0 309.326 -0.157 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[C@@H](NC(=O)CCNC(=O)[O-])C2)n1 ZINC001574128379 1026711023 /nfs/dbraw/zinc/71/10/23/1026711023.db2.gz TXPRBUWYGLEGSA-SECBINFHSA-N -1 0 309.326 -0.157 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N[C@@H](C)c1nc(C(=O)[O-])n[nH]1 ZINC001574144750 1026713769 /nfs/dbraw/zinc/71/37/69/1026713769.db2.gz RPYLIDBISRZKGW-ZETCQYMHSA-N -1 0 321.293 -0.444 20 0 DBADRM Cc1cc(CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)n(C)n1 ZINC001574136274 1026713878 /nfs/dbraw/zinc/71/38/78/1026713878.db2.gz ZIHMJHIXCMSBJP-GXSJLCMTSA-N -1 0 311.342 -0.502 20 0 DBADRM Cc1cc(NC(=O)[C@@H](C)NS(C)(=O)=O)n(CC(=O)[O-])n1 ZINC001574136795 1026713943 /nfs/dbraw/zinc/71/39/43/1026713943.db2.gz GPJOFABNPVHOSR-SSDOTTSWSA-N -1 0 304.328 -0.848 20 0 DBADRM Cc1cc2c(N3CC(NC(=O)CNC(=O)[O-])C3)nccn2n1 ZINC001574145032 1026713993 /nfs/dbraw/zinc/71/39/93/1026713993.db2.gz WXDKDZKISMTNDY-UHFFFAOYSA-N -1 0 304.310 -0.390 20 0 DBADRM Cc1cc(NC(=O)CN2CCC(=O)NC2=O)n(CC(=O)[O-])n1 ZINC001574140668 1026714165 /nfs/dbraw/zinc/71/41/65/1026714165.db2.gz AVTYGLJSPPQTPL-UHFFFAOYSA-N -1 0 309.282 -0.843 20 0 DBADRM Cc1cc(NC(=O)CCCS(N)(=O)=O)n(CC(=O)[O-])n1 ZINC001574141750 1026714391 /nfs/dbraw/zinc/71/43/91/1026714391.db2.gz SFHONMGSYGXQEP-UHFFFAOYSA-N -1 0 304.328 -0.717 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN([C@H](C)C(=O)Nc2ncccn2)CCO1 ZINC001574147213 1026715495 /nfs/dbraw/zinc/71/54/95/1026715495.db2.gz SBFRYUMDGUALTL-QMTHXVAHSA-N -1 0 324.337 -0.394 20 0 DBADRM Cc1ccc(C2=NO[C@H](C(=O)N(CC(N)=O)CC(=O)[O-])C2)cc1 ZINC001574152057 1026716333 /nfs/dbraw/zinc/71/63/33/1026716333.db2.gz NLJPTWYQFNKORH-LBPRGKRZSA-N -1 0 319.317 -0.113 20 0 DBADRM COCCOCCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001574163960 1026716583 /nfs/dbraw/zinc/71/65/83/1026716583.db2.gz AGAJJPDTIHOLDD-FZMZJTMJSA-N -1 0 316.354 -0.218 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CCC(=O)N1CCC(O)CC1 ZINC001574149661 1026716644 /nfs/dbraw/zinc/71/66/44/1026716644.db2.gz IZDDXFAKBMRFAZ-UHFFFAOYSA-N -1 0 316.354 -0.691 20 0 DBADRM Cc1nc(C(=O)[O-])cc(N2CC[C@H](CNS(C)(=O)=O)C2)n1 ZINC001574180094 1026717795 /nfs/dbraw/zinc/71/77/95/1026717795.db2.gz ASQSONQDHSZOCK-SECBINFHSA-N -1 0 314.367 -0.141 20 0 DBADRM Cc1cncn1CC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001574179332 1026718373 /nfs/dbraw/zinc/71/83/73/1026718373.db2.gz HSDXFHRZRARIHV-STQMWFEESA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1ccn2ncc(C(=O)N[C@H]3CN(C(=O)[O-])C[C@H]3CO)c2n1 ZINC001574172779 1026718688 /nfs/dbraw/zinc/71/86/88/1026718688.db2.gz LECGVHAXGLTBFL-ONGXEEELSA-N -1 0 319.321 -0.262 20 0 DBADRM Cc1nc(SCC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)n[nH]1 ZINC001574181669 1026719450 /nfs/dbraw/zinc/71/94/50/1026719450.db2.gz DJPJMDBUPCXXHF-HTQZYQBOSA-N -1 0 315.355 -0.708 20 0 DBADRM Cc1nc(C(=O)N(CC(=O)[O-])C2CCC2)nn1-c1nc[nH]n1 ZINC001574183165 1026719498 /nfs/dbraw/zinc/71/94/98/1026719498.db2.gz YWEYUDHZCLDTBA-UHFFFAOYSA-N -1 0 305.298 -0.227 20 0 DBADRM Cc1nc(SCC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)n[nH]1 ZINC001574181670 1026719563 /nfs/dbraw/zinc/71/95/63/1026719563.db2.gz DJPJMDBUPCXXHF-JGVFFNPUSA-N -1 0 315.355 -0.708 20 0 DBADRM Cc1nc(C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)ccc1C(=O)[O-] ZINC001574182563 1026719682 /nfs/dbraw/zinc/71/96/82/1026719682.db2.gz OXOWZXNTULLKDG-SECBINFHSA-N -1 0 319.317 -0.589 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H]2C(=O)NCC[C@@H]2C)c1C(=O)[O-] ZINC001574182725 1026720073 /nfs/dbraw/zinc/72/00/73/1026720073.db2.gz RIHMOGQPPBWJOM-YLWLKBPMSA-N -1 0 316.339 -0.781 20 0 DBADRM COc1cc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n(C)n1 ZINC001574186083 1026720179 /nfs/dbraw/zinc/72/01/79/1026720179.db2.gz JROWGYUNNSWBJC-QMMMGPOBSA-N -1 0 310.310 -0.310 20 0 DBADRM Cc1nc(NCC2CN(S(C)(=O)=O)C2)cc(C(=O)[O-])n1 ZINC001574187729 1026720211 /nfs/dbraw/zinc/72/02/11/1026720211.db2.gz KDEBJTJCHMVWTE-UHFFFAOYSA-N -1 0 300.340 -0.213 20 0 DBADRM Cc1nc([C@H](C)NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)no1 ZINC001574186956 1026720229 /nfs/dbraw/zinc/72/02/29/1026720229.db2.gz DDISETFGNQSIPH-CNUIFLNQSA-N -1 0 313.314 -0.291 20 0 DBADRM COc1cc(CCNC(=O)c2cn(CC(=O)[O-])nn2)ccn1 ZINC001574181511 1026720334 /nfs/dbraw/zinc/72/03/34/1026720334.db2.gz ASOKOXBXNGESKR-UHFFFAOYSA-N -1 0 305.294 -0.261 20 0 DBADRM Cc1conc1CS(=O)(=O)N1C[C@@H](C(=O)[O-])C2(COC2)C1 ZINC001574180887 1026720697 /nfs/dbraw/zinc/72/06/97/1026720697.db2.gz XBPZHTPIVAHECG-VIFPVBQESA-N -1 0 316.335 -0.154 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H](CO)[C@@H]2CCOC2)c1C(=O)[O-] ZINC001574183010 1026720829 /nfs/dbraw/zinc/72/08/29/1026720829.db2.gz WKMTUEMQPILYEB-HTQZYQBOSA-N -1 0 319.339 -0.908 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H](C)C(=O)NC(C)C)c1C(=O)[O-] ZINC001574182964 1026720867 /nfs/dbraw/zinc/72/08/67/1026720867.db2.gz UPFAIXULLJUFQD-SSDOTTSWSA-N -1 0 318.355 -0.392 20 0 DBADRM Cc1nc(C(=O)[O-])cc(N2CCC3(CC2)C[C@H](O)CNC3=O)n1 ZINC001574180716 1026720964 /nfs/dbraw/zinc/72/09/64/1026720964.db2.gz LORJUWTYMLOYAG-JTQLQIEISA-N -1 0 320.349 -0.049 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H]2C(=O)NCC[C@@H]2C)c1C(=O)[O-] ZINC001574182723 1026720976 /nfs/dbraw/zinc/72/09/76/1026720976.db2.gz RIHMOGQPPBWJOM-XNCJUZBTSA-N -1 0 316.339 -0.781 20 0 DBADRM Cc1nc(CCC(=O)[O-])cc(NC[C@H]2CC(C(N)=O)=NO2)n1 ZINC001574188794 1026721446 /nfs/dbraw/zinc/72/14/46/1026721446.db2.gz XUDBBYFUQACNMM-SECBINFHSA-N -1 0 307.310 -0.156 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@H](C)c2nc(C(=O)[O-])n[nH]2)cn1C ZINC001574191331 1026721651 /nfs/dbraw/zinc/72/16/51/1026721651.db2.gz DVAFTRAYOXNHLS-YFKPBYRVSA-N -1 0 314.327 -0.416 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)NC1(CC(=O)[O-])COC1 ZINC001574197766 1026721700 /nfs/dbraw/zinc/72/17/00/1026721700.db2.gz GLBVTAIICGTQEI-UHFFFAOYSA-N -1 0 317.305 -0.056 20 0 DBADRM Cc1nc(NCCS(=O)(=O)NC2CC2)cc(C(=O)[O-])n1 ZINC001574188839 1026721976 /nfs/dbraw/zinc/72/19/76/1026721976.db2.gz VQVZNQKBYWXDMX-UHFFFAOYSA-N -1 0 300.340 -0.023 20 0 DBADRM Cc1nc(CCC(=O)[O-])cc(N2CCO[C@H](CC(N)=O)C2)n1 ZINC001574188383 1026722472 /nfs/dbraw/zinc/72/24/72/1026722472.db2.gz QWSLXPZULLCERT-LLVKDONJSA-N -1 0 308.338 -0.117 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N(CC(=O)[O-])C1CC1 ZINC001574207065 1026724660 /nfs/dbraw/zinc/72/46/60/1026724660.db2.gz XQAHQXIXXUOCPO-UHFFFAOYSA-N -1 0 302.308 -0.075 20 0 DBADRM Cc1nnc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)s1 ZINC001574198247 1026724745 /nfs/dbraw/zinc/72/47/45/1026724745.db2.gz PQRYTQPRVYZOLO-RNFRBKRXSA-N -1 0 301.328 -0.061 20 0 DBADRM Cc1nonc1CC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001574206531 1026724785 /nfs/dbraw/zinc/72/47/85/1026724785.db2.gz TVGQOQKQLPETIB-VXGBXAGGSA-N -1 0 306.278 -0.381 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])o1 ZINC001574199376 1026724900 /nfs/dbraw/zinc/72/49/00/1026724900.db2.gz AIAGLZRLVHOJLF-DSYKOEDSSA-N -1 0 313.314 -0.284 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2C[C@@H](CO)[C@H](CCO)C2)n1 ZINC001574211409 1026726326 /nfs/dbraw/zinc/72/63/26/1026726326.db2.gz HSYLTKPVZKBSIC-BDAKNGLRSA-N -1 0 312.326 -0.427 20 0 DBADRM Cn1c(=O)[nH]cc1C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001574208346 1026726471 /nfs/dbraw/zinc/72/64/71/1026726471.db2.gz BONFOSVQJTUTRR-ZJUUUORDSA-N -1 0 306.278 -0.563 20 0 DBADRM Cn1c(CO)nnc1SCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001574208558 1026727081 /nfs/dbraw/zinc/72/70/81/1026727081.db2.gz HBQIRBFDMQZWRE-UHFFFAOYSA-N -1 0 314.367 -0.277 20 0 DBADRM Cn1c2cc(NC(=O)NCCC(=O)[O-])ccc2c(=O)n(C)c1=O ZINC001574208316 1026727216 /nfs/dbraw/zinc/72/72/16/1026727216.db2.gz AQSYAWPXDGADOT-UHFFFAOYSA-N -1 0 320.305 -0.167 20 0 DBADRM Cn1cc([C@H](O)C(=O)NCc2nc(CC(=O)[O-])cs2)cn1 ZINC001574212746 1026728154 /nfs/dbraw/zinc/72/81/54/1026728154.db2.gz PZPFOCDNCKAYRN-NSHDSACASA-N -1 0 310.335 -0.147 20 0 DBADRM Cn1cc(CCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccncc2)nn1 ZINC001574212431 1026728474 /nfs/dbraw/zinc/72/84/74/1026728474.db2.gz MNGYEPANKNNUKO-STQMWFEESA-N -1 0 319.321 -0.554 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)NCc2cc(C(=O)[O-])no2)cn1 ZINC001574212471 1026729034 /nfs/dbraw/zinc/72/90/34/1026729034.db2.gz OBAHIYNBMKACDE-SNVBAGLBSA-N -1 0 309.282 -0.361 20 0 DBADRM Cn1cc(C[C@@H](CO)NC(=O)c2ccc(C(=O)[O-])cn2)cn1 ZINC001574212744 1026729083 /nfs/dbraw/zinc/72/90/83/1026729083.db2.gz PZMMLDUXBXXJQI-NSHDSACASA-N -1 0 304.306 -0.153 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)cn1 ZINC001574212836 1026729264 /nfs/dbraw/zinc/72/92/64/1026729264.db2.gz UEDVAQDQQSNCSJ-TUAOUCFPSA-N -1 0 320.305 -0.849 20 0 DBADRM Cn1cc(CCNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)cn1 ZINC001574212523 1026729488 /nfs/dbraw/zinc/72/94/88/1026729488.db2.gz OOQIDECIZVRKBZ-WDEREUQCSA-N -1 0 311.342 -0.768 20 0 DBADRM Cn1ccc(CCNC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001574225000 1026730149 /nfs/dbraw/zinc/73/01/49/1026730149.db2.gz VCQWPEWWHIIWTP-KOLCDFICSA-N -1 0 311.342 -0.768 20 0 DBADRM Cn1cnc2cncc(C(=O)N[C@@H]3CN(C(=O)[O-])C[C@@H]3CO)c21 ZINC001574221739 1026730394 /nfs/dbraw/zinc/73/03/94/1026730394.db2.gz XRMHGVREIPXHEC-LDYMZIIASA-N -1 0 319.321 -0.331 20 0 DBADRM Cn1cnc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccncc2)cc1=O ZINC001574221333 1026731343 /nfs/dbraw/zinc/73/13/43/1026731343.db2.gz OCMYCLNMVQSHMU-NWDGAFQWSA-N -1 0 318.289 -0.908 20 0 DBADRM Cn1nc(C2CC2)cc1S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC001574226685 1026732456 /nfs/dbraw/zinc/73/24/56/1026732456.db2.gz OTTZTKUETOHMJY-NSHDSACASA-N -1 0 303.340 -0.589 20 0 DBADRM Cn1ncc2cc(C(=O)N[C@@H]3CN(C(=O)[O-])C[C@@H]3CO)cnc21 ZINC001574228178 1026732469 /nfs/dbraw/zinc/73/24/69/1026732469.db2.gz HAHAWQIHRUCPCT-GHMZBOCLSA-N -1 0 319.321 -0.331 20 0 DBADRM Cn1nnc2ccc(C(=O)N[C@H]3CN(C(=O)[O-])C[C@@H]3CO)cc21 ZINC001574229292 1026732753 /nfs/dbraw/zinc/73/27/53/1026732753.db2.gz YQLJPHVTXGJSMD-KOLCDFICSA-N -1 0 319.321 -0.331 20 0 DBADRM Cn1ncc(C(=O)N2CCC[C@@H]2c2n[nH]nc2C(=O)[O-])c1N ZINC001574226447 1026732880 /nfs/dbraw/zinc/73/28/80/1026732880.db2.gz GTDOKPJYTPZFLC-SSDOTTSWSA-N -1 0 305.298 -0.204 20 0 DBADRM Cn1ncc(CCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)n1 ZINC001574226748 1026733907 /nfs/dbraw/zinc/73/39/07/1026733907.db2.gz RNAYCTZUFLJQAC-OLZOCXBDSA-N -1 0 319.321 -0.554 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001574242981 1026734759 /nfs/dbraw/zinc/73/47/59/1026734759.db2.gz RGTUSIIHOOYCLU-UWVGGRQHSA-N -1 0 307.368 -0.601 20 0 DBADRM CC(C)C[C@@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001574232886 1026734805 /nfs/dbraw/zinc/73/48/05/1026734805.db2.gz PVDSEQIVRMWMRE-ZETCQYMHSA-N -1 0 309.330 -0.515 20 0 DBADRM NC(=O)[C@@]1(NC(=O)CC2(C(=O)[O-])CCOCC2)CCOC1 ZINC001574247185 1026735042 /nfs/dbraw/zinc/73/50/42/1026735042.db2.gz ANCCUSGEHFTOKF-CYBMUJFWSA-N -1 0 300.311 -0.982 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001574243224 1026735224 /nfs/dbraw/zinc/73/52/24/1026735224.db2.gz SSSAMFBFZLNALD-QXFUBDJGSA-N -1 0 318.351 -0.312 20 0 DBADRM NC(=O)[C@@H](F)C1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC001574247170 1026735569 /nfs/dbraw/zinc/73/55/69/1026735569.db2.gz ALLGTZHJDRTYJA-JTQLQIEISA-N -1 0 310.347 -0.284 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)C[C@H]1C(N)=O ZINC001574247701 1026735651 /nfs/dbraw/zinc/73/56/51/1026735651.db2.gz FMYNXVNFRAHFHA-NXEZZACHSA-N -1 0 305.290 -0.956 20 0 DBADRM COc1cnc(N(C)C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)nc1 ZINC001574238631 1026735693 /nfs/dbraw/zinc/73/56/93/1026735693.db2.gz ZRAYSKMCMVLUOJ-JTQLQIEISA-N -1 0 322.321 -0.229 20 0 DBADRM CC(C)N(C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C1COC1 ZINC001574246332 1026735916 /nfs/dbraw/zinc/73/59/16/1026735916.db2.gz KQAHLMQBDYIPHC-MRVPVSSYSA-N -1 0 306.330 -0.345 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001574249407 1026737958 /nfs/dbraw/zinc/73/79/58/1026737958.db2.gz WUCIGPPIDFDQFM-KXUCPTDWSA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC001574248818 1026738122 /nfs/dbraw/zinc/73/81/22/1026738122.db2.gz SZRSUUSCERDRMW-IDKOKCKLSA-N -1 0 319.383 -0.427 20 0 DBADRM NC(=O)[C@@H](CNC(=O)[C@H](O)CC(=O)[O-])Cc1ccc(F)cc1 ZINC001574249521 1026738160 /nfs/dbraw/zinc/73/81/60/1026738160.db2.gz WUDFINWLJQHPLQ-MWLCHTKSSA-N -1 0 312.297 -0.579 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cn1 ZINC001574249456 1026738175 /nfs/dbraw/zinc/73/81/75/1026738175.db2.gz XBEARASGRUOOOU-GFCCVEGCSA-N -1 0 314.319 -0.541 20 0 DBADRM NC(=O)CN(C(=O)[C@H]1CSCN1C(=O)[O-])C1CCOCC1 ZINC001574255119 1026738656 /nfs/dbraw/zinc/73/86/56/1026738656.db2.gz QVTJEJMXRKERFC-SECBINFHSA-N -1 0 317.367 -0.468 20 0 DBADRM NC(=O)CCC(=O)N1CCC(n2cnc(C(=O)[O-])c2N)CC1 ZINC001574250131 1026738995 /nfs/dbraw/zinc/73/89/95/1026738995.db2.gz XJIZNZMHGGCTMT-UHFFFAOYSA-N -1 0 309.326 -0.408 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)c1cnn(-c2ccncc2)c1 ZINC001574254884 1026739013 /nfs/dbraw/zinc/73/90/13/1026739013.db2.gz KMJJELYEFAMPPD-UHFFFAOYSA-N -1 0 303.278 -0.721 20 0 DBADRM NC(=O)CN(C1CCOCC1)S(=O)(=O)CCCC(=O)[O-] ZINC001574254860 1026739081 /nfs/dbraw/zinc/73/90/81/1026739081.db2.gz JWQDSFWPCSFAGF-UHFFFAOYSA-N -1 0 308.356 -0.853 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)C1CCN(CC(F)F)CC1 ZINC001574254899 1026739303 /nfs/dbraw/zinc/73/93/03/1026739303.db2.gz KWMZBRGJVAILRG-UHFFFAOYSA-N -1 0 307.297 -0.638 20 0 DBADRM NC(=O)[C@H]1CCCN1C(=O)c1ccnc2c(C(=O)[O-])cnn21 ZINC001574257263 1026741448 /nfs/dbraw/zinc/74/14/48/1026741448.db2.gz UZGXIKNTBMLMNG-MRVPVSSYSA-N -1 0 303.278 -0.483 20 0 DBADRM NC(=O)Cn1cc(CN[C@]2(C(=O)[O-])CCc3ccccc32)nn1 ZINC001574256724 1026741976 /nfs/dbraw/zinc/74/19/76/1026741976.db2.gz KBPIQFSMWQHWEG-OAHLLOKOSA-N -1 0 315.333 -0.221 20 0 DBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@H](O)CC(=O)[O-])C1 ZINC001574259651 1026742319 /nfs/dbraw/zinc/74/23/19/1026742319.db2.gz RTLPBIHYEVMECB-JOYOIKCWSA-N -1 0 321.333 -0.684 20 0 DBADRM NC(=O)N[C@@H]1CCN(Cc2cnc3c(C(=O)[O-])cnn3c2)C1 ZINC001574256846 1026742429 /nfs/dbraw/zinc/74/24/29/1026742429.db2.gz NNSPHUFJRGOJFY-SECBINFHSA-N -1 0 304.310 -0.330 20 0 DBADRM NC(=O)N1CC[C@H](CNC(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC001574256325 1026742473 /nfs/dbraw/zinc/74/24/73/1026742473.db2.gz CJFWNEUBEJBQCZ-HTQZYQBOSA-N -1 0 302.356 -0.444 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CC([C@@H](F)C(=O)[O-])C2)O1 ZINC001574256228 1026742489 /nfs/dbraw/zinc/74/24/89/1026742489.db2.gz AUNPOAXKBPAHEX-WCABBAIRSA-N -1 0 302.302 -0.319 20 0 DBADRM NC(=O)c1ccc(CNS(=O)(=O)C2(C(=O)[O-])CCC2)cn1 ZINC001574258917 1026743319 /nfs/dbraw/zinc/74/33/19/1026743319.db2.gz CFVUIRLPKQUSFO-UHFFFAOYSA-N -1 0 313.335 -0.393 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)ccn1 ZINC001574280293 1026747188 /nfs/dbraw/zinc/74/71/88/1026747188.db2.gz KDFKUYOUBWTMNQ-QMMMGPOBSA-N -1 0 314.323 -0.789 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001574280754 1026747597 /nfs/dbraw/zinc/74/75/97/1026747597.db2.gz RQKAHDOYLANHSI-VHSXEESVSA-N -1 0 304.368 -0.376 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1 ZINC001574280742 1026747916 /nfs/dbraw/zinc/74/79/16/1026747916.db2.gz QQSVTKXUBSNJRF-ZJUUUORDSA-N -1 0 319.383 -0.729 20 0 DBADRM Nc1nnc(CC(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])s1 ZINC001574291355 1026750340 /nfs/dbraw/zinc/75/03/40/1026750340.db2.gz GHTYHNWUXHQKQD-BQBZGAKWSA-N -1 0 300.340 -0.199 20 0 DBADRM O=C([O-])c1cc(CNC(=O)C[C@H]2C=CS(=O)(=O)C2)on1 ZINC001574292521 1026750633 /nfs/dbraw/zinc/75/06/33/1026750633.db2.gz BJKLMHXQXQGEAH-SSDOTTSWSA-N -1 0 300.292 -0.063 20 0 DBADRM O=C([O-])N1C[C@H](NS(=O)(=O)c2cscn2)[C@@H](CO)C1 ZINC001574377403 1026774555 /nfs/dbraw/zinc/77/45/55/1026774555.db2.gz PSEWJPWCMRFHCL-RQJHMYQMSA-N -1 0 307.353 -0.608 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCOCC1)[C@H](O)c1cccnc1 ZINC001574300105 1026752530 /nfs/dbraw/zinc/75/25/30/1026752530.db2.gz AFTVSBFOBQUZHE-QWHCGFSZSA-N -1 0 309.322 -0.983 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)CCc2ccc(=O)[nH]c2)[C@@H](CO)C1 ZINC001574299729 1026753225 /nfs/dbraw/zinc/75/32/25/1026753225.db2.gz RCQNAYMIFMTMSH-MNOVXSKESA-N -1 0 309.322 -0.193 20 0 DBADRM O=C([O-])c1c[nH]c(NC(=O)CN2CCCCS2(=O)=O)n1 ZINC001574299385 1026753652 /nfs/dbraw/zinc/75/36/52/1026753652.db2.gz FSIHVISTGHRICB-UHFFFAOYSA-N -1 0 302.312 -0.528 20 0 DBADRM O=C(CC1(C(=O)[O-])CCOCC1)NCc1nnnn1C1CC1 ZINC001574293138 1026753761 /nfs/dbraw/zinc/75/37/61/1026753761.db2.gz VNCVRZOVENJVPX-UHFFFAOYSA-N -1 0 309.326 -0.104 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCn1ccnn1)[C@H](O)c1cccnc1 ZINC001574299901 1026753766 /nfs/dbraw/zinc/75/37/66/1026753766.db2.gz VYAJITYBUPKYPV-VXGBXAGGSA-N -1 0 305.294 -0.634 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCN1CCCC1=O)[C@H](O)c1ccncc1 ZINC001574293279 1026754101 /nfs/dbraw/zinc/75/41/01/1026754101.db2.gz AZXFDHWVOXEKBU-ZIAGYGMSSA-N -1 0 321.333 -0.303 20 0 DBADRM O=C([O-])[C@H](NC(=O)CO[C@@H]1CCOC1)[C@@H](O)c1ccncc1 ZINC001574300346 1026755193 /nfs/dbraw/zinc/75/51/93/1026755193.db2.gz IUQCOVOTVBXPMU-RTXFEEFZSA-N -1 0 310.306 -0.510 20 0 DBADRM O=C([O-])c1cnn2ccc(NC(=O)CN3CCOCC3=O)cc12 ZINC001574300836 1026755237 /nfs/dbraw/zinc/75/52/37/1026755237.db2.gz YAPVKOASCMYHCM-UHFFFAOYSA-N -1 0 318.289 -0.170 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCOC1=O)[C@@H](O)c1ccncc1 ZINC001574300153 1026755714 /nfs/dbraw/zinc/75/57/14/1026755714.db2.gz DSLHESDYVIZNIN-QWRGUYRKSA-N -1 0 309.278 -0.863 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCOCC1)[C@@H](O)c1ccncc1 ZINC001574300127 1026756074 /nfs/dbraw/zinc/75/60/74/1026756074.db2.gz BRRHMVMVDDWQOL-OLZOCXBDSA-N -1 0 309.322 -0.983 20 0 DBADRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)c1nc2ncccn2n1 ZINC001574307934 1026756402 /nfs/dbraw/zinc/75/64/02/1026756402.db2.gz DOHHTNRFNMVOKG-RKDXNWHRSA-N -1 0 305.294 -0.124 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H](CO)CN2CCOCC2)C1 ZINC001574309623 1026756418 /nfs/dbraw/zinc/75/64/18/1026756418.db2.gz BDNIHEZSHFGLRU-QJPTWQEYSA-N -1 0 300.355 -0.703 20 0 DBADRM O=C([O-])N1CCC[C@H](C(=O)N[C@H](CO)CC2OCCO2)C1 ZINC001574309893 1026756434 /nfs/dbraw/zinc/75/64/34/1026756434.db2.gz HCVFOYZXNZMBTD-UWVGGRQHSA-N -1 0 302.327 -0.384 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1cnn(CCO)c1 ZINC001574309728 1026757562 /nfs/dbraw/zinc/75/75/62/1026757562.db2.gz FWGIMIGKLXQYGJ-GFCCVEGCSA-N -1 0 304.306 -0.304 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cc(CO)on1)[C@H](O)c1cccnc1 ZINC001574309573 1026757801 /nfs/dbraw/zinc/75/78/01/1026757801.db2.gz YEOVDXABGPVJJZ-WDEREUQCSA-N -1 0 307.262 -0.522 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC001574308669 1026757924 /nfs/dbraw/zinc/75/79/24/1026757924.db2.gz NQQCVVAAVNLPRY-LLVKDONJSA-N -1 0 313.331 -0.202 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1cc(=O)cc[nH]1)[C@@H](O)c1ccncc1 ZINC001574308536 1026757966 /nfs/dbraw/zinc/75/79/66/1026757966.db2.gz LXFYNMJTNQYAER-NEPJUHHUSA-N -1 0 303.274 -0.314 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2c[nH]cc(Cl)c2=O)[C@@H](CO)C1 ZINC001574311709 1026758586 /nfs/dbraw/zinc/75/85/86/1026758586.db2.gz NLCNHILKESCHEE-MUWHJKNJSA-N -1 0 315.713 -0.271 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2cn3cccnc3n2)[C@@H](CO)C1 ZINC001574312154 1026758659 /nfs/dbraw/zinc/75/86/59/1026758659.db2.gz VHNJYHHGOLOAGU-BDAKNGLRSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001574311536 1026759143 /nfs/dbraw/zinc/75/91/43/1026759143.db2.gz JUUOZGWHDVCPJV-IUCAKERBSA-N -1 0 321.293 -0.865 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2csc(CO)n2)[C@@H](CO)C1 ZINC001574311173 1026759649 /nfs/dbraw/zinc/75/96/49/1026759649.db2.gz FCYYTOQEHXHIEI-RQJHMYQMSA-N -1 0 301.324 -0.664 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)NCCc2ccns2)[C@@H](CO)C1 ZINC001574323906 1026761009 /nfs/dbraw/zinc/76/10/09/1026761009.db2.gz QZZPACHYJKYKQU-SCZZXKLOSA-N -1 0 314.367 -0.045 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2(O)CCS(=O)(=O)CC2)C1 ZINC001574321788 1026761428 /nfs/dbraw/zinc/76/14/28/1026761428.db2.gz GBAPFHQZCSCGJJ-VHSXEESVSA-N -1 0 319.379 -0.457 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)NC[C@@]2(OCCO)CCOC2)C1 ZINC001574322412 1026761804 /nfs/dbraw/zinc/76/18/04/1026761804.db2.gz QFROXASOZCZKHL-FZMZJTMJSA-N -1 0 314.338 -0.373 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)NCCc2cccnc2)C1 ZINC001574323692 1026762164 /nfs/dbraw/zinc/76/21/64/1026762164.db2.gz PDBDSTPKBCYNBH-NWDGAFQWSA-N -1 0 308.338 -0.106 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)NCCc2ccncc2)C1 ZINC001574323983 1026762870 /nfs/dbraw/zinc/76/28/70/1026762870.db2.gz YAHPWRJBUGICRD-VXGBXAGGSA-N -1 0 308.338 -0.106 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001574332437 1026764029 /nfs/dbraw/zinc/76/40/29/1026764029.db2.gz LCSPYOIGNVPEBD-UTUOFQBUSA-N -1 0 311.338 -0.391 20 0 DBADRM O=C([O-])c1cc(CNC(=O)NC[C@H](O)COCC2CC2)on1 ZINC001574327111 1026764495 /nfs/dbraw/zinc/76/44/95/1026764495.db2.gz WADFEOAFHOKFOI-VIFPVBQESA-N -1 0 313.310 -0.041 20 0 DBADRM O=C([O-])c1nc(NC(=O)c2cn(C(F)(F)CO)nn2)c[nH]1 ZINC001574338835 1026764661 /nfs/dbraw/zinc/76/46/61/1026764661.db2.gz SUYBRGZWWABEJZ-UHFFFAOYSA-N -1 0 302.197 -0.507 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001574344519 1026764776 /nfs/dbraw/zinc/76/47/76/1026764776.db2.gz PAMGKMGEIMYAPN-KNVOCYPGSA-N -1 0 302.308 -0.172 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)NCc2ncccc2F)C1 ZINC001574334981 1026765009 /nfs/dbraw/zinc/76/50/09/1026765009.db2.gz YHKPSTMFAUDJPW-KWQFWETISA-N -1 0 312.301 -0.009 20 0 DBADRM O=C([O-])[C@@H]1CCC[N@H+](CC(=O)N2CC[C@@H](c3nnn[n-]3)C2)C1 ZINC001574355446 1026765738 /nfs/dbraw/zinc/76/57/38/1026765738.db2.gz CTIMZCQGADWJJP-NXEZZACHSA-N -1 0 308.342 -0.688 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001574345808 1026766095 /nfs/dbraw/zinc/76/60/95/1026766095.db2.gz PLTCCDLACHAZMD-ACZMJKKPSA-N -1 0 321.273 -0.539 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)Nc2ccnc3ccnn32)C1 ZINC001574346528 1026766469 /nfs/dbraw/zinc/76/64/69/1026766469.db2.gz XWASRNRBWBLMRZ-IUCAKERBSA-N -1 0 320.309 -0.179 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)Nc2ccnc3ccnn32)[C@@H](CO)C1 ZINC001574346520 1026766574 /nfs/dbraw/zinc/76/65/74/1026766574.db2.gz XWASRNRBWBLMRZ-BDAKNGLRSA-N -1 0 320.309 -0.179 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001574355639 1026766854 /nfs/dbraw/zinc/76/68/54/1026766854.db2.gz GKUGNCNYBOEVBF-SSDOTTSWSA-N -1 0 306.282 -0.966 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001574355401 1026767177 /nfs/dbraw/zinc/76/71/77/1026767177.db2.gz BKNXARCMNAMDQF-ZNSHCXBVSA-N -1 0 320.367 -0.826 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC001574355820 1026767974 /nfs/dbraw/zinc/76/79/74/1026767974.db2.gz NWZWWRKHKBUQHD-UKKRHICBSA-N -1 0 304.368 -0.375 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001574356451 1026768018 /nfs/dbraw/zinc/76/80/18/1026768018.db2.gz HDRCDCBORSTTDG-NJUXHZRNSA-N -1 0 301.217 -0.716 20 0 DBADRM O=C([O-])[C@@H]1c2ccoc2CCN1S(=O)(=O)[C@@H]1COC[C@H]1O ZINC001574356129 1026768118 /nfs/dbraw/zinc/76/81/18/1026768118.db2.gz BCEJOGKOTVRKQH-IEBDPFPHSA-N -1 0 317.319 -0.647 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)CNC(=O)OCc1ccccc1 ZINC001574356364 1026769240 /nfs/dbraw/zinc/76/92/40/1026769240.db2.gz FFOSZTKMSRSVBD-LLVKDONJSA-N -1 0 310.306 -0.135 20 0 DBADRM O=C([O-])C[C@H](NC(=O)N1C[C@@H](CO)[C@H](CO)C1)C(F)(F)F ZINC001574358722 1026769363 /nfs/dbraw/zinc/76/93/63/1026769363.db2.gz XKXNKZNYUIRNKL-FXQIFTODSA-N -1 0 314.260 -0.366 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N[C@H](CO)c1cccnc1 ZINC001574356069 1026769501 /nfs/dbraw/zinc/76/95/01/1026769501.db2.gz XPWGNWFXGNMPHF-GHMZBOCLSA-N -1 0 315.351 -0.502 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1nc2ncc(CCO)cn2n1 ZINC001574361856 1026770144 /nfs/dbraw/zinc/77/01/44/1026770144.db2.gz OHPSNKDYNRRFQZ-JTQLQIEISA-N -1 0 319.321 -0.262 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC001574364459 1026770546 /nfs/dbraw/zinc/77/05/46/1026770546.db2.gz YIYMJEJDUQRECW-UWVGGRQHSA-N -1 0 308.338 -0.234 20 0 DBADRM O=C([O-])CC1(NC(=O)Cc2ccc(-n3cnnn3)cc2)COC1 ZINC001574364611 1026770935 /nfs/dbraw/zinc/77/09/35/1026770935.db2.gz FJPBWJUFTIJMCP-UHFFFAOYSA-N -1 0 317.305 -0.435 20 0 DBADRM O=C([O-])CC1(NS(=O)(=O)c2cn3c(n2)CCCC3)COC1 ZINC001574364669 1026771250 /nfs/dbraw/zinc/77/12/50/1026771250.db2.gz GYIUFMHXHDWJLV-UHFFFAOYSA-N -1 0 315.351 -0.259 20 0 DBADRM O=C([O-])CCN(C(=O)c1cn(C(F)(F)CO)nn1)C1CC1 ZINC001574361479 1026771666 /nfs/dbraw/zinc/77/16/66/1026771666.db2.gz JUDOVZGZBXPAIP-UHFFFAOYSA-N -1 0 304.253 -0.101 20 0 DBADRM O=C([O-])CC1(NC(=O)c2coc3c2C(=O)NCCC3)COC1 ZINC001574365559 1026772301 /nfs/dbraw/zinc/77/23/01/1026772301.db2.gz ZRTOSDLCYZOTCL-UHFFFAOYSA-N -1 0 308.290 -0.071 20 0 DBADRM O=C([O-])CC1(S(=O)(=O)NC[C@@H]2CCCS2(=O)=O)CC1 ZINC001574365289 1026772530 /nfs/dbraw/zinc/77/25/30/1026772530.db2.gz SWJUANLRNKVUKW-QMMMGPOBSA-N -1 0 311.381 -0.510 20 0 DBADRM O=C([O-])Cc1nnc(NC(=O)N2CC3(C2)CNC(=O)O3)s1 ZINC001574374926 1026772572 /nfs/dbraw/zinc/77/25/72/1026772572.db2.gz BATWZLQQONUXIR-UHFFFAOYSA-N -1 0 313.295 -0.509 20 0 DBADRM O=C([O-])CNC(=O)C1CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001574372417 1026773383 /nfs/dbraw/zinc/77/33/83/1026773383.db2.gz QTFJBYZICOIUIP-UHFFFAOYSA-N -1 0 308.294 -0.765 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)C[C@@H]2CCCS2(=O)=O)n1 ZINC001574375589 1026774648 /nfs/dbraw/zinc/77/46/48/1026774648.db2.gz SDGHMNBJENGYIB-ZETCQYMHSA-N -1 0 302.312 -0.732 20 0 DBADRM O=C([O-])Cn1cccc(NC(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)c1=O ZINC001574375532 1026775017 /nfs/dbraw/zinc/77/50/17/1026775017.db2.gz PQTHBVQCFKNLDX-IUCAKERBSA-N -1 0 321.289 -0.430 20 0 DBADRM O=C([O-])Cc1nnc(NC(=O)N2C[C@H](CO)[C@H](CO)C2)s1 ZINC001574375628 1026775149 /nfs/dbraw/zinc/77/51/49/1026775149.db2.gz SIWAPCMUCHJUHI-KNVOCYPGSA-N -1 0 316.339 -0.770 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)N2CC[C@H](C3OCCO3)C2)n1 ZINC001574375542 1026775386 /nfs/dbraw/zinc/77/53/86/1026775386.db2.gz QLJYEWIVOFUICL-QMMMGPOBSA-N -1 0 311.298 -0.411 20 0 DBADRM O=C([O-])N1CCC[C@@H](C(=O)N2CCC[C@@H](CO)[C@H]2CO)C1 ZINC001574377175 1026775398 /nfs/dbraw/zinc/77/53/98/1026775398.db2.gz NVKSMTAERWXCPG-GRYCIOLGSA-N -1 0 300.355 -0.032 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001574385645 1026776999 /nfs/dbraw/zinc/77/69/99/1026776999.db2.gz FKRFODUSAUISDS-AXFHLTTASA-N -1 0 316.379 -0.078 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001574393755 1026777720 /nfs/dbraw/zinc/77/77/20/1026777720.db2.gz AMWHDDLPAOBMIJ-GHMZBOCLSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC001574384250 1026777739 /nfs/dbraw/zinc/77/77/39/1026777739.db2.gz NBMLWGBBKPLHHJ-NXEZZACHSA-N -1 0 314.319 -0.336 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001574393741 1026777899 /nfs/dbraw/zinc/77/78/99/1026777899.db2.gz ZJCKWCMDGOLZQK-NXEZZACHSA-N -1 0 305.352 -0.583 20 0 DBADRM O=C([O-])NCCC(=O)NC[C@H](O)C(=O)OCc1ccccc1 ZINC001574381217 1026778680 /nfs/dbraw/zinc/77/86/80/1026778680.db2.gz YNWLDJPJZYAUGH-NSHDSACASA-N -1 0 310.306 -0.135 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)Cn3nc4n(c3=O)CCCC4)C[C@@H]21 ZINC001574402767 1026779204 /nfs/dbraw/zinc/77/92/04/1026779204.db2.gz DYXBHUUPUUXSFO-GBIKHYSHSA-N -1 0 320.349 -0.440 20 0 DBADRM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)CN1CCS(=O)(=O)CC1 ZINC001574398924 1026779247 /nfs/dbraw/zinc/77/92/47/1026779247.db2.gz MTNDTKDSWCWAIC-UMNHJUIQSA-N -1 0 316.379 -0.819 20 0 DBADRM O=C([O-])c1nc[nH]c1CNC(=O)[C@H]1COCCN1CC(F)F ZINC001574405443 1026780021 /nfs/dbraw/zinc/78/00/21/1026780021.db2.gz GFMGESIYRXRXSQ-MRVPVSSYSA-N -1 0 318.280 -0.310 20 0 DBADRM O=C([O-])c1nc[nH]c1CNC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001574405430 1026780289 /nfs/dbraw/zinc/78/02/89/1026780289.db2.gz FOOIUDGOIARLCN-RBTHTUONSA-N -1 0 321.289 -0.555 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)on1 ZINC001574408687 1026780427 /nfs/dbraw/zinc/78/04/27/1026780427.db2.gz NCRFMNVLKJHQMF-ZETCQYMHSA-N -1 0 302.308 -0.073 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@@H]2C(=O)NCC23CCOCC3)on1 ZINC001574408251 1026780718 /nfs/dbraw/zinc/78/07/18/1026780718.db2.gz IZXFSNGAHWSLCQ-SECBINFHSA-N -1 0 309.278 -0.602 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC001574415308 1026780793 /nfs/dbraw/zinc/78/07/93/1026780793.db2.gz OEMQINBRHKPYFN-JWHQNHQBSA-N -1 0 315.351 -0.111 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)on1 ZINC001574405446 1026781375 /nfs/dbraw/zinc/78/13/75/1026781375.db2.gz GHSQYLPYTGUFBC-JGVFFNPUSA-N -1 0 314.319 -0.121 20 0 DBADRM O=C([O-])c1n[nH]c(C2CCN(C(=O)CCc3nnc[nH]3)CC2)n1 ZINC001574423092 1026782757 /nfs/dbraw/zinc/78/27/57/1026782757.db2.gz HPYVPZWJTBZBOK-UHFFFAOYSA-N -1 0 319.325 -0.040 20 0 DBADRM Cc1nc(C)c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])o1 ZINC001574417936 1026782777 /nfs/dbraw/zinc/78/27/77/1026782777.db2.gz YTKZVDDUXTYPPR-MRVPVSSYSA-N -1 0 302.308 -0.385 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@H]1CCCN1C(=O)C1CS(=O)(=O)C1 ZINC001574423431 1026784863 /nfs/dbraw/zinc/78/48/63/1026784863.db2.gz QCJQVFYEGLPKOB-SSDOTTSWSA-N -1 0 314.323 -0.789 20 0 DBADRM Cc1nn(CCS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)c(=O)o1 ZINC001574434643 1026787168 /nfs/dbraw/zinc/78/71/68/1026787168.db2.gz ORWFXQJOCLMCDT-MRVPVSSYSA-N -1 0 307.328 -0.827 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@H]1CCC(=O)NC1)[C@@H](O)c1cccnc1 ZINC001574430922 1026787359 /nfs/dbraw/zinc/78/73/59/1026787359.db2.gz OVHQTCCIURQCIK-IIMNLJJBSA-N -1 0 321.333 -0.399 20 0 DBADRM O=C([O-])N1CCC(S(=O)(=O)N[C@H]2CCNC(=O)CC2)CC1 ZINC001574430946 1026787489 /nfs/dbraw/zinc/78/74/89/1026787489.db2.gz PWEQATMMVIIPAA-SECBINFHSA-N -1 0 319.383 -0.283 20 0 DBADRM O=C([O-])N1CCC(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)CC1 ZINC001574431304 1026787566 /nfs/dbraw/zinc/78/75/66/1026787566.db2.gz VURQHINKDQDHMK-GHMZBOCLSA-N -1 0 311.338 -0.508 20 0 DBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCC[C@@H]2CNC(=O)C2)C1 ZINC001574431487 1026787824 /nfs/dbraw/zinc/78/78/24/1026787824.db2.gz YNNPIYBCJNRDJC-UWVGGRQHSA-N -1 0 319.383 -0.856 20 0 DBADRM Cn1ccn2c(CCNC(=O)[C@H](C(=O)[O-])C3CC3)nnc2c1=O ZINC001574456367 1026790696 /nfs/dbraw/zinc/79/06/96/1026790696.db2.gz FGLMJZCHCQPIFU-SNVBAGLBSA-N -1 0 319.321 -0.803 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001574499716 1026792371 /nfs/dbraw/zinc/79/23/71/1026792371.db2.gz DXMITMHHLOIDMU-SNVBAGLBSA-N -1 0 317.342 -0.989 20 0 DBADRM O=C([O-])C1(C(=O)NCCCCCO)CCS(=O)(=O)CC1 ZINC001574630258 1026800032 /nfs/dbraw/zinc/80/00/32/1026800032.db2.gz NGWLAKYNJBZLJC-UHFFFAOYSA-N -1 0 307.368 -0.455 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CCN2C1=O ZINC001574499873 1026793241 /nfs/dbraw/zinc/79/32/41/1026793241.db2.gz IAQQJFMSXPWFSW-OPRDCNLKSA-N -1 0 324.337 -0.473 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)NCCCCC(=O)[O-])C1 ZINC001574507566 1026793402 /nfs/dbraw/zinc/79/34/02/1026793402.db2.gz OJPCWRSBILXKOT-VIFPVBQESA-N -1 0 307.372 -0.439 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1CCCc3nn[nH]c31)C2 ZINC001574512424 1026793642 /nfs/dbraw/zinc/79/36/42/1026793642.db2.gz LYPPUDRCFQGCIX-QIBSRJKCSA-N -1 0 306.322 -0.216 20 0 DBADRM NC(=O)C[C@H]1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001574497279 1026793803 /nfs/dbraw/zinc/79/38/03/1026793803.db2.gz VBNXSGJUAADUPV-SECBINFHSA-N -1 0 307.306 -0.730 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)NCCn2ccc(=O)[nH]c2=O)c1 ZINC001574573490 1026794414 /nfs/dbraw/zinc/79/44/14/1026794414.db2.gz HMBNHBGFQRAGPO-UHFFFAOYSA-N -1 0 319.277 -0.136 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001574528409 1026795087 /nfs/dbraw/zinc/79/50/87/1026795087.db2.gz JPVHSJOACRGWHM-KYZUINATSA-N -1 0 307.372 -0.522 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCNC(=O)c2cccnc2)[nH]n1 ZINC001574571125 1026796084 /nfs/dbraw/zinc/79/60/84/1026796084.db2.gz ULXOSSHKNUVWEH-UHFFFAOYSA-N -1 0 303.278 -0.337 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC001574616409 1026798716 /nfs/dbraw/zinc/79/87/16/1026798716.db2.gz OGFQBZCYXFSWCR-NWDGAFQWSA-N -1 0 303.318 -0.060 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NC[C@H](n2cncn2)C(F)(F)F)C1 ZINC001574644761 1026800019 /nfs/dbraw/zinc/80/00/19/1026800019.db2.gz YTIQSCCTDJWYNG-RQJHMYQMSA-N -1 0 321.215 -0.273 20 0 DBADRM CS(=O)(=O)c1ccc(/C=C\C(=O)N[C@@H](CO)C(=O)[O-])o1 ZINC001574651480 1026800616 /nfs/dbraw/zinc/80/06/16/1026800616.db2.gz QYVKGPVEQXTJGZ-LTMVXPGCSA-N -1 0 303.292 -0.742 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)C1 ZINC001574644392 1026800708 /nfs/dbraw/zinc/80/07/08/1026800708.db2.gz UPJBCHGVJWOVDK-QWRGUYRKSA-N -1 0 321.264 -0.113 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C/[C@@H]1CCOC1 ZINC001574670142 1026801251 /nfs/dbraw/zinc/80/12/51/1026801251.db2.gz YIWLVSAKOIIJBU-HXNLBGINSA-N -1 0 303.336 -0.711 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCC1(O)CCC1 ZINC001574668763 1026801451 /nfs/dbraw/zinc/80/14/51/1026801451.db2.gz IVWSCWHXIQPTMI-SECBINFHSA-N -1 0 305.352 -0.608 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)COc1ccsn1 ZINC001574668728 1026801719 /nfs/dbraw/zinc/80/17/19/1026801719.db2.gz IBJAIWVKESSUKW-ZETCQYMHSA-N -1 0 320.348 -0.768 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCc2cccc(=O)[nH]2)C1=O ZINC001574718693 1026801778 /nfs/dbraw/zinc/80/17/78/1026801778.db2.gz BGDBAEYUZKMOBZ-SNVBAGLBSA-N -1 0 307.306 -0.273 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NN2CCS(=O)(=O)CC2)CO1 ZINC001574687888 1026802064 /nfs/dbraw/zinc/80/20/64/1026802064.db2.gz XLCQGQQVKWMYHI-VHSXEESVSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001574668796 1026802414 /nfs/dbraw/zinc/80/24/14/1026802414.db2.gz KDVMAWQVTHVYAD-ZYUZMQFOSA-N -1 0 303.336 -0.878 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc2ncnn21 ZINC001574668807 1026802621 /nfs/dbraw/zinc/80/26/21/1026802621.db2.gz KUCGEJZGEOXRBZ-SECBINFHSA-N -1 0 324.318 -0.947 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N[C@H]1CCN(C)C1=O)C(=O)[O-] ZINC000424508511 282083156 /nfs/dbraw/zinc/08/31/56/282083156.db2.gz VVBVHWWMNBMLAV-VIFPVBQESA-N -1 0 313.354 -0.660 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1nnc(N)o1 ZINC000356554503 412495990 /nfs/dbraw/zinc/49/59/90/412495990.db2.gz VYCWRVOJCVVLKT-UHFFFAOYSA-N -1 0 311.323 -0.047 20 0 DBADRM CNC(=O)Cn1[nH]c(=NC(=O)N=c2cc(C)c(C)n[n-]2)cc1C ZINC000446145242 529875886 /nfs/dbraw/zinc/87/58/86/529875886.db2.gz PNOCOEUVLRZFQG-UHFFFAOYSA-N -1 0 317.353 -0.168 20 0 DBADRM CO[C@]1(C(=O)[N-]S(=O)(=O)c2c(C)onc2N)CCOC1 ZINC000408476500 412510626 /nfs/dbraw/zinc/51/06/26/412510626.db2.gz LVBXUMLMGDMNSR-SNVBAGLBSA-N -1 0 305.312 -0.824 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1c(N)noc1C)C(=O)[O-] ZINC000569932029 412511843 /nfs/dbraw/zinc/51/18/43/412511843.db2.gz UGDSEKGSSAGFMC-LURJTMIESA-N -1 0 321.311 -0.750 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1c(C)onc1N)C(=O)[O-] ZINC000566311952 412519170 /nfs/dbraw/zinc/51/91/70/412519170.db2.gz JEXWPPOUPRRSIA-BQBZGAKWSA-N -1 0 307.328 -0.542 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000408476675 412521659 /nfs/dbraw/zinc/52/16/59/412521659.db2.gz MEVJAUDHLZQKHO-UHFFFAOYSA-N -1 0 313.339 0.034 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC000583325772 412523300 /nfs/dbraw/zinc/52/33/00/412523300.db2.gz YKQNGJSIEHJUDO-LURJTMIESA-N -1 0 307.328 -0.589 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000583381087 412536642 /nfs/dbraw/zinc/53/66/42/412536642.db2.gz WPVGGJNDUQGEKG-QMMMGPOBSA-N -1 0 306.326 -0.203 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCCC(=O)[O-] ZINC000563934302 412541485 /nfs/dbraw/zinc/54/14/85/412541485.db2.gz QLYMJJOQHHLJBU-UHFFFAOYSA-N -1 0 306.326 -0.153 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](C)C(=O)[O-] ZINC000569428568 412541971 /nfs/dbraw/zinc/54/19/71/412541971.db2.gz CHVYGMPPJJQGPE-ZETCQYMHSA-N -1 0 306.326 -0.155 20 0 DBADRM Nc1nsc(N2CCN(C(=O)N=c3[n-]ncs3)CC2)n1 ZINC000362200922 412543267 /nfs/dbraw/zinc/54/32/67/412543267.db2.gz SQQQBCUOLOWWDZ-UHFFFAOYSA-N -1 0 312.384 -0.252 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000367470319 290868509 /nfs/dbraw/zinc/86/85/09/290868509.db2.gz SFRVXRSBQBRVCR-SFYZADRCSA-N -1 0 309.340 -0.965 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000042551393 291009224 /nfs/dbraw/zinc/00/92/24/291009224.db2.gz PDCFXXKLQLNNAJ-SECBINFHSA-N -1 0 308.356 -0.335 20 0 DBADRM O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000344247853 303831201 /nfs/dbraw/zinc/83/12/01/303831201.db2.gz DWQLYHJCYOQOBY-SECBINFHSA-N -1 0 316.273 -0.435 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1)C(=O)[O-] ZINC000262402954 299228092 /nfs/dbraw/zinc/22/80/92/299228092.db2.gz BEYAJLFTSFPTEP-PEXQALLHSA-N -1 0 308.338 -0.081 20 0 DBADRM CCCCNC(=O)CS(=O)(=O)c1ncc(C(=O)OC)[n-]1 ZINC000285172325 535285201 /nfs/dbraw/zinc/28/52/01/535285201.db2.gz RUOYSLDKZAJBJG-UHFFFAOYSA-N -1 0 303.340 -0.114 20 0 DBADRM COCCN(CCOC)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000284034302 138096966 /nfs/dbraw/zinc/09/69/66/138096966.db2.gz RGEGSTMMNUXDDY-UHFFFAOYSA-N -1 0 315.330 -0.719 20 0 DBADRM CSc1n[nH]c([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)n1 ZINC000341536196 138110962 /nfs/dbraw/zinc/11/09/62/138110962.db2.gz VQOOLBOLMDBFOU-UHFFFAOYSA-N -1 0 316.368 -0.235 20 0 DBADRM NC(=O)[C@H](CO)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000341749934 138113925 /nfs/dbraw/zinc/11/39/25/138113925.db2.gz WENIAYSYAPSKRF-VIFPVBQESA-N -1 0 324.724 -0.193 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2cc(C)on2)CCOC1 ZINC000340934688 138102239 /nfs/dbraw/zinc/10/22/39/138102239.db2.gz WTBBSMOJUOUHPE-LLVKDONJSA-N -1 0 304.324 -0.265 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)NC(C)(C)c1nnn[n-]1 ZINC000341395581 138108199 /nfs/dbraw/zinc/10/81/99/138108199.db2.gz ZEPNZIDXLZULJF-UHFFFAOYSA-N -1 0 304.376 -0.730 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000355947648 138141613 /nfs/dbraw/zinc/14/16/13/138141613.db2.gz VTECAOJIKLVEAQ-GFCCVEGCSA-N -1 0 316.383 -0.928 20 0 DBADRM O=C(CNC(=O)c1cc(F)cc(F)c1)NCc1n[nH]c(=O)[n-]1 ZINC000347733001 138134116 /nfs/dbraw/zinc/13/41/16/138134116.db2.gz FYEJFVZRQNCOHB-UHFFFAOYSA-N -1 0 311.248 -0.165 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000357874698 138146716 /nfs/dbraw/zinc/14/67/16/138146716.db2.gz TXOMCIYNCOHMIV-SSDOTTSWSA-N -1 0 315.293 -0.154 20 0 DBADRM O=Cc1cccc(OCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1 ZINC000371678616 138163050 /nfs/dbraw/zinc/16/30/50/138163050.db2.gz CWCNHZRALWDKOB-GFCCVEGCSA-N -1 0 317.305 -0.009 20 0 DBADRM O=Cc1ccc(OCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1 ZINC000371680194 138163375 /nfs/dbraw/zinc/16/33/75/138163375.db2.gz YNQKBRVBRLSXQN-GFCCVEGCSA-N -1 0 317.305 -0.009 20 0 DBADRM CCN1CCO[C@H](CN2CCN(C(=O)CNC(=O)[O-])CC2)C1 ZINC000376114501 138185323 /nfs/dbraw/zinc/18/53/23/138185323.db2.gz JMVRPFWSUXFXBK-LBPRGKRZSA-N -1 0 314.386 -0.881 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@@H](CC(N)=O)C2)cc1C(=O)[O-] ZINC000376671586 138188949 /nfs/dbraw/zinc/18/89/49/138188949.db2.gz JKNCBORNNHLHGG-QMMMGPOBSA-N -1 0 315.351 -0.391 20 0 DBADRM Cn1cnc2c1nccc2C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000408334335 138215082 /nfs/dbraw/zinc/21/50/82/138215082.db2.gz NRUJWHBWYAYDBH-MRVPVSSYSA-N -1 0 310.335 -0.183 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)CO1 ZINC000408158199 138209182 /nfs/dbraw/zinc/20/91/82/138209182.db2.gz MNESJGRQYMOIOU-BDAKNGLRSA-N -1 0 315.351 -0.105 20 0 DBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)c1=O ZINC000408255028 138212693 /nfs/dbraw/zinc/21/26/93/138212693.db2.gz PVIHDKSEMHSNDR-SNVBAGLBSA-N -1 0 314.363 -0.129 20 0 DBADRM CC(C)(C)N1C[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)CC1=O ZINC000408385356 138216632 /nfs/dbraw/zinc/21/66/32/138216632.db2.gz LLHCKGHBVNVPJU-ZJUUUORDSA-N -1 0 318.395 -0.132 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000408388758 138217392 /nfs/dbraw/zinc/21/73/92/138217392.db2.gz WTWCDFNSPXBDOV-WPRPVWTQSA-N -1 0 302.352 -0.768 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)C1 ZINC000408406453 138217734 /nfs/dbraw/zinc/21/77/34/138217734.db2.gz HTFROROFNJSIQA-GHMZBOCLSA-N -1 0 318.395 -0.130 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)C1 ZINC000408406456 138218080 /nfs/dbraw/zinc/21/80/80/138218080.db2.gz HTFROROFNJSIQA-MNOVXSKESA-N -1 0 318.395 -0.130 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)CC1=O ZINC000408429293 138218357 /nfs/dbraw/zinc/21/83/57/138218357.db2.gz XRCCDXFCOYWYPZ-UWVGGRQHSA-N -1 0 304.368 -0.520 20 0 DBADRM Cn1nnc2ccc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)cc21 ZINC000408449105 138219327 /nfs/dbraw/zinc/21/93/27/138219327.db2.gz DVKMPJWLCJQOMU-VIFPVBQESA-N -1 0 310.335 -0.183 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000408445877 138219346 /nfs/dbraw/zinc/21/93/46/138219346.db2.gz CVJDQLBZDFMGDN-GHMZBOCLSA-N -1 0 318.395 -0.082 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408456279 138219948 /nfs/dbraw/zinc/21/99/48/138219948.db2.gz HHIAHVKGNKQZBX-WDEREUQCSA-N -1 0 306.384 -0.668 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)c1cc2n(n1)CCO2 ZINC000408476131 138220178 /nfs/dbraw/zinc/22/01/78/138220178.db2.gz JSOZHCCGYBPHRA-SECBINFHSA-N -1 0 315.351 -0.238 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2 ZINC000408489854 138220189 /nfs/dbraw/zinc/22/01/89/138220189.db2.gz WPGKYOQXCVUPJR-UHFFFAOYSA-N -1 0 311.323 -0.482 20 0 DBADRM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000408498084 138220205 /nfs/dbraw/zinc/22/02/05/138220205.db2.gz KGZDVGUEDOXQHR-NTSWFWBYSA-N -1 0 302.274 -0.281 20 0 DBADRM C[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)CC(N)=O)c2C1 ZINC000408500394 138220257 /nfs/dbraw/zinc/22/02/57/138220257.db2.gz OMQDMCYYGVUZHM-SSDOTTSWSA-N -1 0 300.340 -0.990 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCCO3)cn1 ZINC000408488792 138220261 /nfs/dbraw/zinc/22/02/61/138220261.db2.gz OIZOHOQJVJJKDR-UHFFFAOYSA-N -1 0 311.323 -0.482 20 0 DBADRM C[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)CC(N)=O)c2C1 ZINC000408500398 138220346 /nfs/dbraw/zinc/22/03/46/138220346.db2.gz OMQDMCYYGVUZHM-ZETCQYMHSA-N -1 0 300.340 -0.990 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@H]1CCCCS1(=O)=O ZINC000408484081 138220386 /nfs/dbraw/zinc/22/03/86/138220386.db2.gz YQEDOTHKCCDZGL-DTWKUNHWSA-N -1 0 311.381 -0.811 20 0 DBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000408495468 138220396 /nfs/dbraw/zinc/22/03/96/138220396.db2.gz JDJXUMVHLPCADC-VWYCJHECSA-N -1 0 316.379 -0.520 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1cc2n(n1)CCCO2 ZINC000408487417 138220521 /nfs/dbraw/zinc/22/05/21/138220521.db2.gz LVZLXFDZPOIIHI-SECBINFHSA-N -1 0 315.351 -0.096 20 0 DBADRM Cn1ncc2cc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)cnc21 ZINC000408479574 138220550 /nfs/dbraw/zinc/22/05/50/138220550.db2.gz NCPRAMIZUBTRBV-SNVBAGLBSA-N -1 0 310.335 -0.183 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-] ZINC000274959242 295971737 /nfs/dbraw/zinc/97/17/37/295971737.db2.gz URXCTCCVPTXNGJ-IUCAKERBSA-N -1 0 303.340 -0.157 20 0 DBADRM CCCNC(=O)C[C@@H](C(N)=O)N(CCC)Cc1n[nH]c(=O)[n-]1 ZINC000358038975 283371773 /nfs/dbraw/zinc/37/17/73/283371773.db2.gz ODLHOQXIZPSHON-VIFPVBQESA-N -1 0 312.374 -0.508 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])cn1 ZINC000261753829 291172250 /nfs/dbraw/zinc/17/22/50/291172250.db2.gz WUWIRSIDNNXAKR-SSDOTTSWSA-N -1 0 305.312 -0.850 20 0 DBADRM CO[C@@H](CNC(=O)[C@H](C)NC(=O)COc1ccccc1)C(=O)[O-] ZINC000427803815 236919883 /nfs/dbraw/zinc/91/98/83/236919883.db2.gz YZNUQKFUYXZVKL-JQWIXIFHSA-N -1 0 324.333 -0.214 20 0 DBADRM CN(C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1)C1CC(O)C1 ZINC000420584444 237403461 /nfs/dbraw/zinc/40/34/61/237403461.db2.gz MKBGEYNPCXZUKL-UHFFFAOYSA-N -1 0 306.318 -0.017 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCOCC(F)F)C1 ZINC000420575987 237405646 /nfs/dbraw/zinc/40/56/46/237405646.db2.gz BKSUKKVPMAHJSB-GFCCVEGCSA-N -1 0 308.281 -0.293 20 0 DBADRM O=C([O-])Cn1cc(CNC(=O)CCC(=O)NC2CCCC2)nn1 ZINC000439703924 304090937 /nfs/dbraw/zinc/09/09/37/304090937.db2.gz CBHGXOGTCFSZMO-UHFFFAOYSA-N -1 0 323.353 -0.182 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000088439854 283557739 /nfs/dbraw/zinc/55/77/39/283557739.db2.gz UKZFMLFRLJGLLG-NXEZZACHSA-N -1 0 322.383 -0.043 20 0 DBADRM Cn1cc(S(=O)(=O)NCCSc2n[nH]c(=O)[n-]2)cn1 ZINC000446066554 238302545 /nfs/dbraw/zinc/30/25/45/238302545.db2.gz BURXSELZKBLRGM-UHFFFAOYSA-N -1 0 304.357 -0.686 20 0 DBADRM COCC[C@@]1(NC(=O)CSc2n[nH]c(=O)[n-]2)CCOC1 ZINC000446956514 238316800 /nfs/dbraw/zinc/31/68/00/238316800.db2.gz HKJKRIIILXOMRS-LLVKDONJSA-N -1 0 302.356 -0.086 20 0 DBADRM Cn1c2cccc(C(=O)NCCc3nc(=O)o[n-]3)c2oc1=O ZINC000447635656 238331508 /nfs/dbraw/zinc/33/15/08/238331508.db2.gz FQDZGGARHHMDRZ-UHFFFAOYSA-N -1 0 304.262 -0.220 20 0 DBADRM O=C(CNC(=O)c1ccc(F)cc1)NCCc1nc(=O)o[n-]1 ZINC000447633445 238332123 /nfs/dbraw/zinc/33/21/23/238332123.db2.gz ZKCHRNNLURQXCI-UHFFFAOYSA-N -1 0 308.269 -0.409 20 0 DBADRM Cc1cccn2c(=O)c(C(=O)NCCc3nc(=O)o[n-]3)cnc12 ZINC000447636887 238332265 /nfs/dbraw/zinc/33/22/65/238332265.db2.gz OXMTUYDYAMOCPQ-UHFFFAOYSA-N -1 0 315.289 -0.348 20 0 DBADRM Cn1ncc2c1ncc(C(=O)NCCc1nc(=O)o[n-]1)c2O ZINC000447638239 238333681 /nfs/dbraw/zinc/33/36/81/238333681.db2.gz WSBHPHQURQQWEX-UHFFFAOYSA-N -1 0 304.266 -0.677 20 0 DBADRM COCCN(CCOC)S(=O)(=O)NC1(C(=O)[O-])CCCC1 ZINC000535473768 283652383 /nfs/dbraw/zinc/65/23/83/283652383.db2.gz GCLVOUXGKADHHH-UHFFFAOYSA-N -1 0 324.399 -0.187 20 0 DBADRM CN(C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)[C@H]1CCNC1=O ZINC000535558223 283653000 /nfs/dbraw/zinc/65/30/00/283653000.db2.gz KFLATTFLRXULLE-JTQLQIEISA-N -1 0 302.290 -0.010 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC000507397372 238636089 /nfs/dbraw/zinc/63/60/89/238636089.db2.gz AQXULTRFANNLOI-VHSXEESVSA-N -1 0 304.368 -0.409 20 0 DBADRM C[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)[O-] ZINC000540671008 283683580 /nfs/dbraw/zinc/68/35/80/283683580.db2.gz UTDVMEYUPUAINV-SSDOTTSWSA-N -1 0 303.340 -0.285 20 0 DBADRM NC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000541910324 283693934 /nfs/dbraw/zinc/69/39/34/283693934.db2.gz XSTOKIQNWSEWDI-QMMMGPOBSA-N -1 0 322.726 -0.837 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000542756582 283698532 /nfs/dbraw/zinc/69/85/32/283698532.db2.gz VDTCAKJCGJAHET-JTQLQIEISA-N -1 0 309.290 -0.082 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)NC[C@H](C)C(=O)[O-])cn1 ZINC000547541819 283742359 /nfs/dbraw/zinc/74/23/59/283742359.db2.gz SRLMJGMDRSNJHK-ZETCQYMHSA-N -1 0 305.312 -0.945 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCCC[C@@H](C)C(=O)[O-] ZINC000547568939 283745028 /nfs/dbraw/zinc/74/50/28/283745028.db2.gz HQJWJQKHQRQTNH-SECBINFHSA-N -1 0 310.372 -0.183 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)CC2CCC2)C1 ZINC000547577485 283745382 /nfs/dbraw/zinc/74/53/82/283745382.db2.gz JNHZUYXTPYRBJJ-JTQLQIEISA-N -1 0 304.368 -0.361 20 0 DBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)N1CCCCC1 ZINC000547595948 283745786 /nfs/dbraw/zinc/74/57/86/283745786.db2.gz AWNAXZKGKCNBOA-NXEZZACHSA-N -1 0 319.383 -0.632 20 0 DBADRM CCN(CC)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000547595943 283745936 /nfs/dbraw/zinc/74/59/36/283745936.db2.gz ATKIKLRUNYNOMP-DTWKUNHWSA-N -1 0 307.372 -0.777 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)Cc1ccc(F)cc1F ZINC000547545111 283742428 /nfs/dbraw/zinc/74/24/28/283742428.db2.gz CBZKEIKFQDESBY-UHFFFAOYSA-N -1 0 322.289 -0.415 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC000547545792 283742567 /nfs/dbraw/zinc/74/25/67/283742567.db2.gz MFJJGSNGKNJBNX-KXUCPTDWSA-N -1 0 323.367 -0.527 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)[O-] ZINC000547549030 283743281 /nfs/dbraw/zinc/74/32/81/283743281.db2.gz CVNJMFMZTPUIAE-JTQLQIEISA-N -1 0 322.383 -0.041 20 0 DBADRM COCC[C@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-] ZINC000547554171 283743838 /nfs/dbraw/zinc/74/38/38/283743838.db2.gz YNADGWJSYXJCRL-VIFPVBQESA-N -1 0 323.367 -0.261 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)nc1C ZINC000547552733 283743845 /nfs/dbraw/zinc/74/38/45/283743845.db2.gz JZQQPXKQGKKOQG-GXSJLCMTSA-N -1 0 317.367 -0.021 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)N2CCCCC2)C(=O)[O-])c1 ZINC000547554100 283743947 /nfs/dbraw/zinc/74/39/47/283743947.db2.gz WXUZVNXVKUIETD-NSHDSACASA-N -1 0 316.383 -0.035 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)[O-] ZINC000547553825 283743954 /nfs/dbraw/zinc/74/39/54/283743954.db2.gz XYILSPIZFKZFDQ-HQJQHLMTSA-N -1 0 316.310 -0.049 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC000547615675 283747164 /nfs/dbraw/zinc/74/71/64/283747164.db2.gz RKIBQLPOFNYNPI-UWVGGRQHSA-N -1 0 324.399 -0.454 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-] ZINC000547639829 283747553 /nfs/dbraw/zinc/74/75/53/283747553.db2.gz CQYQZYUMZNPIFI-SSDOTTSWSA-N -1 0 313.282 -0.474 20 0 DBADRM CCN(C)S(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000547900837 283757575 /nfs/dbraw/zinc/75/75/75/283757575.db2.gz AHAIZTUOMPZGIW-SNVBAGLBSA-N -1 0 304.372 -0.551 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCC1(C(=O)[O-])CCCC1 ZINC000547899878 283757738 /nfs/dbraw/zinc/75/77/38/283757738.db2.gz FTRSNCAUUWRWLS-UHFFFAOYSA-N -1 0 322.383 -0.039 20 0 DBADRM CCn1cc(S(=O)(=O)N(C)[C@H](COC)C(=O)[O-])nc1C ZINC000547911847 283758236 /nfs/dbraw/zinc/75/82/36/283758236.db2.gz XCASWXZRCCVKLR-SECBINFHSA-N -1 0 305.356 -0.068 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])CCO1 ZINC000547914737 283758250 /nfs/dbraw/zinc/75/82/50/283758250.db2.gz QNYLPCQAMRFVQT-QMMMGPOBSA-N -1 0 310.397 -0.199 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000547905994 283758596 /nfs/dbraw/zinc/75/85/96/283758596.db2.gz CIWUECLJGBYBTE-SECBINFHSA-N -1 0 319.339 -0.460 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000547921619 283759069 /nfs/dbraw/zinc/75/90/69/283759069.db2.gz QBLYZQQXFXMXLT-VHSXEESVSA-N -1 0 321.399 -0.531 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCOC1)NS(=O)(=O)C[C@@H]1CCOC1 ZINC000547876849 283755695 /nfs/dbraw/zinc/75/56/95/283755695.db2.gz PLEFKZXDFIGQDL-MXWKQRLJSA-N -1 0 307.368 -0.178 20 0 DBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000547878015 283755745 /nfs/dbraw/zinc/75/57/45/283755745.db2.gz WSOZDNJAFLBBFP-YIZRAAEISA-N -1 0 309.340 -0.917 20 0 DBADRM CCN(C)S(=O)(=O)N[C@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000547881564 283756323 /nfs/dbraw/zinc/75/63/23/283756323.db2.gz IRRJRXMDMNIYMO-SNVBAGLBSA-N -1 0 304.372 -0.261 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])oc1C ZINC000547898447 283757506 /nfs/dbraw/zinc/75/75/06/283757506.db2.gz FIVLSHYYXUNZFG-QMMMGPOBSA-N -1 0 321.307 -0.247 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000547931489 283759789 /nfs/dbraw/zinc/75/97/89/283759789.db2.gz BBOHVTCHLAFIKH-SECBINFHSA-N -1 0 319.339 -0.776 20 0 DBADRM CC(C)OCCS(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000547928931 283759907 /nfs/dbraw/zinc/75/99/07/283759907.db2.gz HSWHBILMFKOFLP-YYSFKGJASA-N -1 0 313.397 -0.741 20 0 DBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000547930979 283759991 /nfs/dbraw/zinc/75/99/91/283759991.db2.gz CSTWCJJGMOSYOU-KVHAEHDBSA-N -1 0 324.424 -0.521 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cnn(CC)c1)C(=O)[O-] ZINC000547937465 283760590 /nfs/dbraw/zinc/76/05/90/283760590.db2.gz GWWUNSSVZLHVLQ-NXEZZACHSA-N -1 0 305.356 -0.205 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000548241689 283772334 /nfs/dbraw/zinc/77/23/34/283772334.db2.gz SQKXJTYZRKAAON-OPRDCNLKSA-N -1 0 310.372 -0.628 20 0 DBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)CCCC(=O)OC ZINC000548243955 283772391 /nfs/dbraw/zinc/77/23/91/283772391.db2.gz ZEMNYMILHOVTHM-SECBINFHSA-N -1 0 311.356 -0.309 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC000548243348 283772417 /nfs/dbraw/zinc/77/24/17/283772417.db2.gz RZDAKVKYNYMZFF-MRVPVSSYSA-N -1 0 319.383 -0.117 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)cn1 ZINC000548200938 283769060 /nfs/dbraw/zinc/76/90/60/283769060.db2.gz YEHYIDGFSJWNCZ-JTQLQIEISA-N -1 0 313.339 -0.259 20 0 DBADRM COCCCCS(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000548198870 283769135 /nfs/dbraw/zinc/76/91/35/283769135.db2.gz DPVUGAQNVWKJBS-JTQLQIEISA-N -1 0 305.356 -0.108 20 0 DBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000548193678 283769139 /nfs/dbraw/zinc/76/91/39/283769139.db2.gz IRTMZTRXAJKGHK-LLVKDONJSA-N -1 0 301.320 -0.169 20 0 DBADRM O=C([O-])Cc1csc(CCNS(=O)(=O)NC2CC2)n1 ZINC000548203709 283769417 /nfs/dbraw/zinc/76/94/17/283769417.db2.gz VMPXMCSWOQUVQZ-UHFFFAOYSA-N -1 0 305.381 -0.101 20 0 DBADRM CCN(CC)S(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548208939 283770105 /nfs/dbraw/zinc/77/01/05/283770105.db2.gz WEQSCYWKGQADTC-SNVBAGLBSA-N -1 0 304.372 -0.179 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000548210700 283770268 /nfs/dbraw/zinc/77/02/68/283770268.db2.gz YLNIKTMYKHLYMU-IONNQARKSA-N -1 0 319.339 -0.726 20 0 DBADRM CCOc1ccc(S(=O)(=O)N[C@@H](COC)C(=O)[O-])cn1 ZINC000548213138 283770798 /nfs/dbraw/zinc/77/07/98/283770798.db2.gz MDSIUXKZHMCTSN-VIFPVBQESA-N -1 0 304.324 -0.142 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000548239031 283771936 /nfs/dbraw/zinc/77/19/36/283771936.db2.gz VBZAZCJJDWAJCC-UHFFFAOYSA-N -1 0 305.312 -0.849 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000548256702 283773285 /nfs/dbraw/zinc/77/32/85/283773285.db2.gz FFHNNWCJVDCODK-ZMFHDSSTSA-N -1 0 313.397 -0.741 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000548268250 283773588 /nfs/dbraw/zinc/77/35/88/283773588.db2.gz JGUQYNPJZISWSG-SECBINFHSA-N -1 0 310.372 -0.328 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000548554197 283784814 /nfs/dbraw/zinc/78/48/14/283784814.db2.gz MGJBIICCFQVRPE-ONGXEEELSA-N -1 0 319.383 -0.240 20 0 DBADRM CC(C)OCCS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000548571329 283785103 /nfs/dbraw/zinc/78/51/03/283785103.db2.gz AZOGQWJFZKGZSV-UWVGGRQHSA-N -1 0 322.383 -0.608 20 0 DBADRM CCn1nccc1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC000548566954 283785190 /nfs/dbraw/zinc/78/51/90/283785190.db2.gz VVTGHPCIDZQCQY-VIFPVBQESA-N -1 0 305.356 -0.251 20 0 DBADRM C[C@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000548527582 283782046 /nfs/dbraw/zinc/78/20/46/283782046.db2.gz NUVWKQDCRDQJCG-SSDOTTSWSA-N -1 0 322.364 -0.667 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCOC1)NS(=O)(=O)C[C@H]1CCCO1 ZINC000548528548 283782428 /nfs/dbraw/zinc/78/24/28/283782428.db2.gz CHKVHUDNHXLLDE-AXFHLTTASA-N -1 0 307.368 -0.035 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)N2CCC[C@@H]2C)C(=O)[O-])c1 ZINC000548529723 283782487 /nfs/dbraw/zinc/78/24/87/283782487.db2.gz HVFATDQBVYPRNA-WDEREUQCSA-N -1 0 316.383 -0.037 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)N2CCC[C@H]2C)C(=O)[O-])c1 ZINC000548529718 283782543 /nfs/dbraw/zinc/78/25/43/283782543.db2.gz HVFATDQBVYPRNA-MNOVXSKESA-N -1 0 316.383 -0.037 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000548528351 283782578 /nfs/dbraw/zinc/78/25/78/283782578.db2.gz BISYHJABIJYYDO-WCBMZHEXSA-N -1 0 302.356 -0.136 20 0 DBADRM CS(=O)(=O)N[C@H](Cc1cn(-c2ccccc2)nn1)C(=O)[O-] ZINC000548541129 283783694 /nfs/dbraw/zinc/78/36/94/283783694.db2.gz WYPDOFROQZPMOF-LLVKDONJSA-N -1 0 310.335 -0.188 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)s1)C(=O)[O-] ZINC000548544828 283784220 /nfs/dbraw/zinc/78/42/20/283784220.db2.gz XMRJFHNNIFJUQA-LURJTMIESA-N -1 0 323.348 -0.087 20 0 DBADRM CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)[C@@H]1CCOC1)C(=O)[O-] ZINC000548550300 283784237 /nfs/dbraw/zinc/78/42/37/283784237.db2.gz UFHSIYYGDVEEPV-BDAKNGLRSA-N -1 0 323.367 -0.120 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])C[C@H](C)O1 ZINC000548683922 283789185 /nfs/dbraw/zinc/78/91/85/283789185.db2.gz RWMHPSZAXYRARW-UMNHJUIQSA-N -1 0 324.399 -0.597 20 0 DBADRM Nc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cc1 ZINC000548585990 283786064 /nfs/dbraw/zinc/78/60/64/283786064.db2.gz YZXGIMSIWPRGNI-DGIBIBHMSA-N -1 0 318.376 -0.525 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548770281 283792336 /nfs/dbraw/zinc/79/23/36/283792336.db2.gz WTJGBFKNGHXUDK-VHSXEESVSA-N -1 0 317.367 -0.113 20 0 DBADRM CCCN(CC1CC1)S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC000548838251 283795244 /nfs/dbraw/zinc/79/52/44/283795244.db2.gz ZICLZMUMIMFHRE-QWRGUYRKSA-N -1 0 306.384 -0.127 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cccc(N(C)C)c1)C(=O)[O-] ZINC000549519458 283800296 /nfs/dbraw/zinc/80/02/96/283800296.db2.gz KQQVMCIRIKZWMQ-KCJUWKMLSA-N -1 0 302.352 -0.135 20 0 DBADRM CO[C@H](C)CS(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000263463999 294282669 /nfs/dbraw/zinc/28/26/69/294282669.db2.gz FPYMTFFFDDSHDR-BDAKNGLRSA-N -1 0 310.372 -0.738 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1 ZINC000555129810 283941779 /nfs/dbraw/zinc/94/17/79/283941779.db2.gz RWTBVKLGOBHUHM-ZANVPECISA-N -1 0 310.331 -0.119 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000555695086 283945949 /nfs/dbraw/zinc/94/59/49/283945949.db2.gz PMAAFRWRXRYSRI-SVRRBLITSA-N -1 0 323.758 -0.159 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000555695087 283946151 /nfs/dbraw/zinc/94/61/51/283946151.db2.gz PMAAFRWRXRYSRI-XPUUQOCRSA-N -1 0 323.758 -0.159 20 0 DBADRM CC(C)(O)CCNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000557572959 283966173 /nfs/dbraw/zinc/96/61/73/283966173.db2.gz WFIMPJAYXPGBEU-SNVBAGLBSA-N -1 0 300.355 -0.023 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)NCc1nnc2n1CCCCC2 ZINC000557775353 283968906 /nfs/dbraw/zinc/96/89/06/283968906.db2.gz QHRQWIXHFLMYDV-SNVBAGLBSA-N -1 0 323.353 -0.001 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-] ZINC000558639252 283975988 /nfs/dbraw/zinc/97/59/88/283975988.db2.gz RXPYFPNQCWSPEI-XEVUQIKYSA-N -1 0 304.368 -0.185 20 0 DBADRM COCCN(CCOC)C(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000560075917 283987506 /nfs/dbraw/zinc/98/75/06/283987506.db2.gz AKMBBDTWNQWWPF-CHNSCGDPSA-N -1 0 322.383 -0.781 20 0 DBADRM O=C([O-])[C@H](Cc1ccco1)NC(=O)N1CCS(=O)(=O)CC1 ZINC000559431550 283983852 /nfs/dbraw/zinc/98/38/52/283983852.db2.gz MREDJSJAQJIHGC-JTQLQIEISA-N -1 0 316.335 -0.285 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)[O-] ZINC000560419737 283992034 /nfs/dbraw/zinc/99/20/34/283992034.db2.gz RYAKDJFRQZBBRN-IUCAKERBSA-N -1 0 305.356 -0.379 20 0 DBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H](C)N1CCOCC1 ZINC000267551413 296108530 /nfs/dbraw/zinc/10/85/30/296108530.db2.gz CJYZHHYDGVXUSI-ZJUUUORDSA-N -1 0 310.354 -0.675 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000561364516 284001892 /nfs/dbraw/zinc/00/18/92/284001892.db2.gz YSHNHIVRFSBBMQ-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000261828343 304136066 /nfs/dbraw/zinc/13/60/66/304136066.db2.gz BEQPPVACZXKWIM-JTQLQIEISA-N -1 0 306.274 -0.057 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000561454148 284002384 /nfs/dbraw/zinc/00/23/84/284002384.db2.gz BAHRTLJZFVJPKV-JTQLQIEISA-N -1 0 321.399 -0.180 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000562425310 284010157 /nfs/dbraw/zinc/01/01/57/284010157.db2.gz NYNLXQBMMJPCAU-CMPLNLGQSA-N -1 0 322.383 -0.768 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)[C@@H]2CCOC2)C[C@]12CCOC2 ZINC000562425202 284010466 /nfs/dbraw/zinc/01/04/66/284010466.db2.gz ZHUMKVUGXGJYCT-SCVCMEIPSA-N -1 0 305.352 -0.472 20 0 DBADRM CCN(CCCNC(=O)N1CCC[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC000562426798 284010544 /nfs/dbraw/zinc/01/05/44/284010544.db2.gz NTNPUUQSNIRNTR-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM C[C@@H](NC(=O)NCC(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000562391743 284009027 /nfs/dbraw/zinc/00/90/27/284009027.db2.gz QUYJLKXDAMRJNZ-SSDOTTSWSA-N -1 0 301.324 -0.221 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)Cn2cc(C(=O)[O-])nn2)CC1=O ZINC000562649227 284013508 /nfs/dbraw/zinc/01/35/08/284013508.db2.gz AEECVQPNLXAYGN-KHQFGBGNSA-N -1 0 307.310 -0.898 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC000563069893 284021453 /nfs/dbraw/zinc/02/14/53/284021453.db2.gz XXCRMVGOCIPDDM-DCAQKATOSA-N -1 0 322.383 -0.484 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000562999597 284019325 /nfs/dbraw/zinc/01/93/25/284019325.db2.gz OVNPUFLWPSRKDY-JTQLQIEISA-N -1 0 313.339 -0.434 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1ccc(N(C)C)nc1)C(=O)[O-] ZINC000563082310 284021799 /nfs/dbraw/zinc/02/17/99/284021799.db2.gz XDCLZJGSEIKVTP-VIFPVBQESA-N -1 0 303.340 -0.475 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)O1 ZINC000563191908 284028180 /nfs/dbraw/zinc/02/81/80/284028180.db2.gz CMLLBQZSBLFCCL-KXUCPTDWSA-N -1 0 324.337 -0.063 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)O1 ZINC000563191911 284028469 /nfs/dbraw/zinc/02/84/69/284028469.db2.gz CMLLBQZSBLFCCL-LPEHRKFASA-N -1 0 324.337 -0.063 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000598011334 376192422 /nfs/dbraw/zinc/19/24/22/376192422.db2.gz WQYUWKGPBWVFKW-IMTBSYHQSA-N -1 0 307.262 -0.011 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000450539467 304139215 /nfs/dbraw/zinc/13/92/15/304139215.db2.gz KCTWIQVSLKDXRM-OUAUKWLOSA-N -1 0 316.379 -0.266 20 0 DBADRM COCCN(CCOC)C(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000563430262 284038400 /nfs/dbraw/zinc/03/84/00/284038400.db2.gz DTQJSZKDWVDCQR-VXGBXAGGSA-N -1 0 318.370 -0.141 20 0 DBADRM CO[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H](C(=O)[O-])C1 ZINC000563449704 284040072 /nfs/dbraw/zinc/04/00/72/284040072.db2.gz PNTALQAEMNFVHN-ZJUUUORDSA-N -1 0 320.367 -0.888 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000563532165 284042307 /nfs/dbraw/zinc/04/23/07/284042307.db2.gz JJZKHSOTURTYPY-BDAKNGLRSA-N -1 0 307.372 -0.712 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000563569995 284042962 /nfs/dbraw/zinc/04/29/62/284042962.db2.gz YHSWVZCDYQLQTL-VHSXEESVSA-N -1 0 306.384 -0.020 20 0 DBADRM O=C([O-])[C@H]1CN(c2cc(N3CCC[C@H](CO)C3)ncn2)CCO1 ZINC000563719226 284047508 /nfs/dbraw/zinc/04/75/08/284047508.db2.gz XCCPSJHJVSAUNC-NWDGAFQWSA-N -1 0 322.365 -0.025 20 0 DBADRM COCCN(CCO)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000563622065 284045084 /nfs/dbraw/zinc/04/50/84/284045084.db2.gz CIZMEOYTVOWQMD-UHFFFAOYSA-N -1 0 310.306 -0.209 20 0 DBADRM CC1(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CC1 ZINC000563623377 284045346 /nfs/dbraw/zinc/04/53/46/284045346.db2.gz FLJINTRJPACLCN-QMMMGPOBSA-N -1 0 311.381 -0.558 20 0 DBADRM C[C@@H](NC(=O)NCC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000563922209 284052348 /nfs/dbraw/zinc/05/23/48/284052348.db2.gz FQDYIZUZXPNQIU-MRVPVSSYSA-N -1 0 307.372 -0.570 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000563799618 284049314 /nfs/dbraw/zinc/04/93/14/284049314.db2.gz OZNRBHABYQXQMY-SNVBAGLBSA-N -1 0 314.338 -0.231 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000563957331 284053572 /nfs/dbraw/zinc/05/35/72/284053572.db2.gz CRRQQSRBAKHILJ-CQSZACIVSA-N -1 0 311.338 -0.904 20 0 DBADRM NC(=O)[C@@]1(NC(=O)c2nn(-c3ccccc3)cc2[O-])CCOC1 ZINC000563974485 284053961 /nfs/dbraw/zinc/05/39/61/284053961.db2.gz XTLKFMIILHLFHG-OAHLLOKOSA-N -1 0 316.317 -0.048 20 0 DBADRM NS(=O)(=O)c1cnc(N2CCO[C@H](CC(=O)[O-])C2)s1 ZINC000564089854 284055011 /nfs/dbraw/zinc/05/50/11/284055011.db2.gz JCNSDRJEEJHXDB-ZCFIWIBFSA-N -1 0 307.353 -0.530 20 0 DBADRM NS(=O)(=O)N1CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000564209135 284056583 /nfs/dbraw/zinc/05/65/83/284056583.db2.gz HQZMTATYIGAXFK-UHFFFAOYSA-N -1 0 313.335 -0.654 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(N(C)C)nc1)C(=O)[O-] ZINC000564726523 284065585 /nfs/dbraw/zinc/06/55/85/284065585.db2.gz PATRXRVMOKGCQN-VIFPVBQESA-N -1 0 303.340 -0.475 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCOC[C@@H]1CCCO1 ZINC000564922577 284071758 /nfs/dbraw/zinc/07/17/58/284071758.db2.gz AEMWUIZVIHBRTC-QWRGUYRKSA-N -1 0 322.383 -0.435 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000564925936 284072564 /nfs/dbraw/zinc/07/25/64/284072564.db2.gz WKARRFZUBNYIJI-VHSXEESVSA-N -1 0 321.399 -0.322 20 0 DBADRM CN(C)c1ncc(CNC(=O)C(=O)NCCCC(=O)[O-])n1C ZINC000564985487 284076610 /nfs/dbraw/zinc/07/66/10/284076610.db2.gz HUDQYMDLTMBCPP-UHFFFAOYSA-N -1 0 311.342 -0.917 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)CC2)C[C@H]1C(=O)[O-] ZINC000564972518 284075254 /nfs/dbraw/zinc/07/52/54/284075254.db2.gz VLQSIZNQBHQNNZ-WCQYABFASA-N -1 0 323.393 -0.138 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)Cc2ccn(C)n2)C1=O ZINC000564978973 284075787 /nfs/dbraw/zinc/07/57/87/284075787.db2.gz PYGFBOQSYHIPOG-YPMHNXCESA-N -1 0 322.365 -0.211 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000564987242 284076579 /nfs/dbraw/zinc/07/65/79/284076579.db2.gz TWOIZVIQDSFELE-VIFPVBQESA-N -1 0 320.367 -0.949 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000565053822 284079977 /nfs/dbraw/zinc/07/99/77/284079977.db2.gz FIRPEPLCDJCOSE-CABZTGNLSA-N -1 0 306.384 -0.020 20 0 DBADRM Cc1c([C@H](NS(=O)(=O)[C@@H]2CCO[C@H]2C)C(=O)[O-])cnn1C ZINC000565056550 284080181 /nfs/dbraw/zinc/08/01/81/284080181.db2.gz QVMDNICJYFEKAU-GDPRMGEGSA-N -1 0 317.367 -0.049 20 0 DBADRM CCOC(=O)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(F)(F)F ZINC000598052060 376193478 /nfs/dbraw/zinc/19/34/78/376193478.db2.gz ZPFDPPBXWCMKAG-SCSAIBSYSA-N -1 0 324.215 -0.103 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)c1 ZINC000565277082 284091530 /nfs/dbraw/zinc/09/15/30/284091530.db2.gz TXCDWFAIMJPIQX-NOZJJQNGSA-N -1 0 310.331 -0.119 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@@H]1CCCO1)[C@@H]1CCCOC1 ZINC000565477041 284096196 /nfs/dbraw/zinc/09/61/96/284096196.db2.gz XOKMDEHUOFFCII-OUAUKWLOSA-N -1 0 307.368 -0.035 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)C[C@@H]1CCOC1)C(=O)[O-] ZINC000565592399 284099923 /nfs/dbraw/zinc/09/99/23/284099923.db2.gz QKESBKKDRJWDPL-ZJUUUORDSA-N -1 0 323.367 -0.261 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)Cn1nnnc1-c1ccsc1 ZINC000565833973 284105528 /nfs/dbraw/zinc/10/55/28/284105528.db2.gz WEUNEECFPDFOGC-SECBINFHSA-N -1 0 323.334 -0.286 20 0 DBADRM Cn1cnc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)c1 ZINC000565876711 284106390 /nfs/dbraw/zinc/10/63/90/284106390.db2.gz GRTFDYWZAVEELV-CABZTGNLSA-N -1 0 315.351 -0.468 20 0 DBADRM CCOCCS(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1C ZINC000530436036 374258147 /nfs/dbraw/zinc/25/81/47/374258147.db2.gz QYDQKBGGYYZCJF-JTQLQIEISA-N -1 0 305.356 -0.190 20 0 DBADRM Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCc1nnn[n-]1 ZINC000605305797 374266974 /nfs/dbraw/zinc/26/69/74/374266974.db2.gz ICUROSCSTWFDPX-NSHDSACASA-N -1 0 313.325 -0.405 20 0 DBADRM Cc1c([C@@H](NS(=O)(=O)C[C@H]2CCCO2)C(=O)[O-])cnn1C ZINC000530488140 374276368 /nfs/dbraw/zinc/27/63/68/374276368.db2.gz HIIKLLHZLKAJGU-MWLCHTKSSA-N -1 0 317.367 -0.047 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cccc(OC)c1)C(=O)[O-] ZINC000379285506 374233969 /nfs/dbraw/zinc/23/39/69/374233969.db2.gz GRRQQGKBLPBYCD-SNVBAGLBSA-N -1 0 317.319 -0.010 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)C(N)=O ZINC000379292134 374236419 /nfs/dbraw/zinc/23/64/19/374236419.db2.gz KPUKUSXQXAVWQQ-SNVBAGLBSA-N -1 0 300.336 -0.144 20 0 DBADRM C[S@@](=O)CCCNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000232104907 374284716 /nfs/dbraw/zinc/28/47/16/374284716.db2.gz CKWVYVKPZLLMOV-DYBLOJMWSA-N -1 0 312.413 -0.614 20 0 DBADRM CO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000010893273 374327142 /nfs/dbraw/zinc/32/71/42/374327142.db2.gz OWBUMGCPRFXBFR-QMMMGPOBSA-N -1 0 315.351 -0.011 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCC(=O)[O-])C1 ZINC000037420162 374381364 /nfs/dbraw/zinc/38/13/64/374381364.db2.gz KKIRGPLWKHRDIX-SECBINFHSA-N -1 0 308.356 -0.429 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)N1CCOCC1 ZINC000125981388 374426863 /nfs/dbraw/zinc/42/68/63/374426863.db2.gz KQRNQYNZDCRBKN-SECBINFHSA-N -1 0 306.340 -0.988 20 0 DBADRM C[C@@]1(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCCO1 ZINC000094796852 374426981 /nfs/dbraw/zinc/42/69/81/374426981.db2.gz STYJEXFSEKTITK-NSHDSACASA-N -1 0 303.340 -0.185 20 0 DBADRM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1F ZINC000357178297 374443692 /nfs/dbraw/zinc/44/36/92/374443692.db2.gz RMHDTKDCSZHOPX-UHFFFAOYSA-N -1 0 320.327 -0.003 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000627661517 374460092 /nfs/dbraw/zinc/46/00/92/374460092.db2.gz ZUCMHDAJKFIETO-MRVPVSSYSA-N -1 0 314.367 -0.293 20 0 DBADRM C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000070311998 374478771 /nfs/dbraw/zinc/47/87/71/374478771.db2.gz RICQLORMISFYCD-ZETCQYMHSA-N -1 0 303.340 -0.344 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)cc1O ZINC000617887811 374470959 /nfs/dbraw/zinc/47/09/59/374470959.db2.gz IOUKNHJMCLGQQA-KOLCDFICSA-N -1 0 301.320 -0.360 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-] ZINC000584057262 374474050 /nfs/dbraw/zinc/47/40/50/374474050.db2.gz XGTDNOXQAAQDDZ-BIIVOSGPSA-N -1 0 310.397 -0.359 20 0 DBADRM Cn1[n-]nnc1=NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000530956714 374498126 /nfs/dbraw/zinc/49/81/26/374498126.db2.gz XDXRUSROZYWZEC-UHFFFAOYSA-N -1 0 316.369 -0.822 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1C(N)=O ZINC000079483769 374502222 /nfs/dbraw/zinc/50/22/22/374502222.db2.gz IFEKBTMKOIWXCO-LBPRGKRZSA-N -1 0 315.351 -0.248 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](CO)CCF)c1 ZINC000616558385 374541945 /nfs/dbraw/zinc/54/19/45/374541945.db2.gz LSIKIRDJTAQKFQ-ZETCQYMHSA-N -1 0 306.315 -0.510 20 0 DBADRM C[C@@H](CCO)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000616564546 374541987 /nfs/dbraw/zinc/54/19/87/374541987.db2.gz GPMXOXMTAPGFAL-QMMMGPOBSA-N -1 0 302.352 -0.118 20 0 DBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000262315130 296218568 /nfs/dbraw/zinc/21/85/68/296218568.db2.gz QOEPXJRPKXTDDQ-AATLWQCWSA-N -1 0 307.368 -0.101 20 0 DBADRM Cn1cc(S(=O)(=O)NC2(C)CCCC2)c(=O)n(C)c1=O ZINC000049239917 374575998 /nfs/dbraw/zinc/57/59/98/374575998.db2.gz FVUJZEGBWZAIGB-UHFFFAOYSA-N -1 0 301.368 -0.305 20 0 DBADRM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)[N-]CC(F)(F)CO ZINC000234567366 374580030 /nfs/dbraw/zinc/58/00/30/374580030.db2.gz JVLCSLGCQLWGFZ-SFYZADRCSA-N -1 0 301.311 -0.125 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000085855732 374581557 /nfs/dbraw/zinc/58/15/57/374581557.db2.gz IERJAEHJROAPSD-NSHDSACASA-N -1 0 303.340 -0.441 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC000621604529 374599328 /nfs/dbraw/zinc/59/93/28/374599328.db2.gz JRKXSWMFAQTDLR-QMMMGPOBSA-N -1 0 324.424 -0.410 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000088439853 374623007 /nfs/dbraw/zinc/62/30/07/374623007.db2.gz UKZFMLFRLJGLLG-VHSXEESVSA-N -1 0 322.383 -0.043 20 0 DBADRM CCCCNC(=O)Cc1noc(-c2cnc([O-])n(C)c2=O)n1 ZINC000584243404 374702769 /nfs/dbraw/zinc/70/27/69/374702769.db2.gz YYHQDUDOVPYIPE-UHFFFAOYSA-N -1 0 307.310 -0.005 20 0 DBADRM CC(C)NC(=O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000048268411 374647065 /nfs/dbraw/zinc/64/70/65/374647065.db2.gz SQMUMHRMHJUYEC-UHFFFAOYSA-N -1 0 305.294 -0.722 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1 ZINC000090262823 374650692 /nfs/dbraw/zinc/65/06/92/374650692.db2.gz JLGAACODTQMEMJ-SNVBAGLBSA-N -1 0 317.319 -0.413 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000393594027 374661453 /nfs/dbraw/zinc/66/14/53/374661453.db2.gz BMJXDGJYDZAGQN-KXUCPTDWSA-N -1 0 322.383 -0.185 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000393594028 374661504 /nfs/dbraw/zinc/66/15/04/374661504.db2.gz BMJXDGJYDZAGQN-LPEHRKFASA-N -1 0 322.383 -0.185 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)NC/C=C/C(=O)[O-])CC1 ZINC000278734392 374801826 /nfs/dbraw/zinc/80/18/26/374801826.db2.gz PWNLGLDQGCSGKY-ONEGZZNKSA-N -1 0 320.367 -0.263 20 0 DBADRM CN(CCN1C(=O)CNC1=O)Cc1nc(=O)c2sccc2[n-]1 ZINC000131533800 374804380 /nfs/dbraw/zinc/80/43/80/374804380.db2.gz WXLKKBZBBBGGRK-UHFFFAOYSA-N -1 0 321.362 -0.032 20 0 DBADRM CC(C)(NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400123974 374814866 /nfs/dbraw/zinc/81/48/66/374814866.db2.gz NEJIQVKELYNMDI-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CSCC(=O)[O-] ZINC000128157171 374773188 /nfs/dbraw/zinc/77/31/88/374773188.db2.gz CQAVPVMGWNSLCW-SECBINFHSA-N -1 0 324.424 -0.266 20 0 DBADRM CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2nnn[n-]2)c1 ZINC000600498679 374788248 /nfs/dbraw/zinc/78/82/48/374788248.db2.gz XIVMTTVEJODJNT-UHFFFAOYSA-N -1 0 310.339 -0.654 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)NCCCC(=O)[O-])CC1 ZINC000400177291 374885878 /nfs/dbraw/zinc/88/58/78/374885878.db2.gz FGVPVLFSUNVKGZ-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC000400262577 374901736 /nfs/dbraw/zinc/90/17/36/374901736.db2.gz IQLRSSXCODGRLE-SECBINFHSA-N -1 0 313.335 -0.457 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N(CC(=O)[O-])C2CC2)C1 ZINC000400184508 374887885 /nfs/dbraw/zinc/88/78/85/374887885.db2.gz ISICEAMYSGNKRD-MRVPVSSYSA-N -1 0 305.356 -0.721 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)NC2(C(=O)[O-])CCC2)C1 ZINC000400205913 374890311 /nfs/dbraw/zinc/89/03/11/374890311.db2.gz TXKREBCOEQKYEX-MRVPVSSYSA-N -1 0 305.356 -0.673 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cnc(C)n1C)C(=O)[O-] ZINC000600657439 374837086 /nfs/dbraw/zinc/83/70/86/374837086.db2.gz KESXWYDYQPTMID-SSDOTTSWSA-N -1 0 305.312 -0.977 20 0 DBADRM CCOC(=O)c1cc([N-]S(=O)(=O)c2cnnn2C)[nH]n1 ZINC000600652183 374838773 /nfs/dbraw/zinc/83/87/73/374838773.db2.gz NGZLQQUBPNRBNI-UHFFFAOYSA-N -1 0 300.300 -0.484 20 0 DBADRM COCCN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1 ZINC000150124625 374862315 /nfs/dbraw/zinc/86/23/15/374862315.db2.gz HACRKUCAJMPZNZ-UHFFFAOYSA-N -1 0 304.306 -0.138 20 0 DBADRM C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000110662499 374934922 /nfs/dbraw/zinc/93/49/22/374934922.db2.gz BDOWPFUCIAROMV-LURJTMIESA-N -1 0 304.349 -0.045 20 0 DBADRM COC[C@](C)(O)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000625928079 374935695 /nfs/dbraw/zinc/93/56/95/374935695.db2.gz FURUTXPYNRJPQQ-GFCCVEGCSA-N -1 0 317.367 -0.420 20 0 DBADRM COc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c1C ZINC000625950450 374942970 /nfs/dbraw/zinc/94/29/70/374942970.db2.gz PFNDTBKUIGZNJV-CQSZACIVSA-N -1 0 310.306 -0.106 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000625953835 374947293 /nfs/dbraw/zinc/94/72/93/374947293.db2.gz RAJLVCQUQPTBHM-ZKCHVHJHSA-N -1 0 305.290 -0.297 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)nn1C ZINC000625954196 374947319 /nfs/dbraw/zinc/94/73/19/374947319.db2.gz BZTQGTSSBBBYQU-RKDXNWHRSA-N -1 0 324.337 -0.064 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)nn1C ZINC000625954195 374947327 /nfs/dbraw/zinc/94/73/27/374947327.db2.gz BZTQGTSSBBBYQU-IUCAKERBSA-N -1 0 324.337 -0.064 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000400275457 374904944 /nfs/dbraw/zinc/90/49/44/374904944.db2.gz OEZIPLFHHIZRLY-SECBINFHSA-N -1 0 313.335 -0.457 20 0 DBADRM COc1ccccc1[C@@H](CO)NC(=O)c1cnc([O-])n(C)c1=O ZINC000536466703 374908267 /nfs/dbraw/zinc/90/82/67/374908267.db2.gz CLQIDJVHNCCCOA-LLVKDONJSA-N -1 0 319.317 -0.042 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2ccc(-n3cnnn3)cc2)CCOC1 ZINC000262141781 375024406 /nfs/dbraw/zinc/02/44/06/375024406.db2.gz MNBNMBBOCWFJBP-CYBMUJFWSA-N -1 0 303.278 -0.364 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000634918960 375074926 /nfs/dbraw/zinc/07/49/26/375074926.db2.gz CJQCVYPMUAZLBU-ZJUUUORDSA-N -1 0 304.368 -0.411 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)[C@H]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000634924889 375075741 /nfs/dbraw/zinc/07/57/41/375075741.db2.gz LKHLCJJPUXISAI-QWRGUYRKSA-N -1 0 307.354 -0.035 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2C(=O)[O-])CCN1S(C)(=O)=O ZINC000634929071 375076581 /nfs/dbraw/zinc/07/65/81/375076581.db2.gz DIOFIGZGVINMNG-OUAUKWLOSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)CCN1S(C)(=O)=O ZINC000634929945 375078186 /nfs/dbraw/zinc/07/81/86/375078186.db2.gz VPKDHFCLBVDFGW-KXUCPTDWSA-N -1 0 318.395 -0.165 20 0 DBADRM O=C(C1CN(CC(F)F)C1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000622566897 375083210 /nfs/dbraw/zinc/08/32/10/375083210.db2.gz BDRHPAWOBUAIPE-ZDUSSCGKSA-N -1 0 316.308 -0.616 20 0 DBADRM O=C([O-])C[C@@H]1CN(c2cc(N3CCOCC3)ncn2)CCO1 ZINC000566621619 375089047 /nfs/dbraw/zinc/08/90/47/375089047.db2.gz IIEDKNJQSJGSHH-LLVKDONJSA-N -1 0 308.338 -0.007 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCOCC2(CCOCC2)C1 ZINC000635524769 375139573 /nfs/dbraw/zinc/13/95/73/375139573.db2.gz PWXHUUOMZRUDMQ-UHFFFAOYSA-N -1 0 316.354 -0.074 20 0 DBADRM CC(C)OC[C@H]1CN(C(=O)NCCOCC(=O)[O-])CCO1 ZINC000635525179 375139942 /nfs/dbraw/zinc/13/99/42/375139942.db2.gz WIFSKMCGWGERHC-LLVKDONJSA-N -1 0 304.343 -0.077 20 0 DBADRM CN(CCO)C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000566915811 375141447 /nfs/dbraw/zinc/14/14/47/375141447.db2.gz OIDCYYSMAOFSBF-OLZOCXBDSA-N -1 0 320.345 -0.236 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)C(=O)[O-])c(C)o1 ZINC000262788737 375146786 /nfs/dbraw/zinc/14/67/86/375146786.db2.gz PKBGPBPXOSYUSL-ZCFIWIBFSA-N -1 0 304.324 -0.053 20 0 DBADRM COCC(=O)N1CCN(C(=O)NCCCCC(=O)[O-])CC1 ZINC000635530532 375149290 /nfs/dbraw/zinc/14/92/90/375149290.db2.gz XKDHJUAPZKMLLE-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262810005 375168507 /nfs/dbraw/zinc/16/85/07/375168507.db2.gz TWZJMAJSYYSFEH-QWRGUYRKSA-N -1 0 313.354 -0.119 20 0 DBADRM CN1CCN(C(=O)CC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC000091619570 375172584 /nfs/dbraw/zinc/17/25/84/375172584.db2.gz WMNFFYKIPYBYMG-UHFFFAOYSA-N -1 0 322.413 -0.526 20 0 DBADRM O=C(CN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)NC1CCCCC1 ZINC000091618390 375173385 /nfs/dbraw/zinc/17/33/85/375173385.db2.gz XQASPYMZJCUNSP-UHFFFAOYSA-N -1 0 322.413 -0.336 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC1(C(=O)[O-])CC1 ZINC000203655178 375194982 /nfs/dbraw/zinc/19/49/82/375194982.db2.gz ZQWCQQPOYSWSIU-QMMMGPOBSA-N -1 0 306.340 -0.535 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000216277682 375196423 /nfs/dbraw/zinc/19/64/23/375196423.db2.gz GCEFSNOJLCCNKV-SNVBAGLBSA-N -1 0 317.319 -0.010 20 0 DBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)CCCc1nnn[n-]1 ZINC000635918599 375284067 /nfs/dbraw/zinc/28/40/67/375284067.db2.gz DJZOYPUDCPQKOX-NEPJUHHUSA-N -1 0 308.386 -0.156 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000635923127 375286567 /nfs/dbraw/zinc/28/65/67/375286567.db2.gz IZWQYUPEVMIYJN-UHFFFAOYSA-N -1 0 320.275 -0.245 20 0 DBADRM C[N@@H+]1C[C@H]2CCN(C(=O)c3cccc(-n4[n-]nnc4=N)c3)[C@@H]2C1 ZINC000635954211 375288618 /nfs/dbraw/zinc/28/86/18/375288618.db2.gz LQGRWSBYPWKMNC-DGCLKSJQSA-N -1 0 313.365 -0.149 20 0 DBADRM Cn1cnc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1Cl ZINC000279318590 375313644 /nfs/dbraw/zinc/31/36/44/375313644.db2.gz FVUYYRWQHBJATQ-UHFFFAOYSA-N -1 0 307.719 -0.729 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCCCO[C@H]1CCOC1 ZINC000569693938 375257171 /nfs/dbraw/zinc/25/71/71/375257171.db2.gz BXHROIUVEODHPX-JTQLQIEISA-N -1 0 302.327 -0.721 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cnn2c1OCCC2)C(=O)[O-] ZINC000570088711 375335095 /nfs/dbraw/zinc/33/50/95/375335095.db2.gz MXKGJACRSNHFSI-ZETCQYMHSA-N -1 0 305.312 -0.957 20 0 DBADRM COCCN1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1=O ZINC000570160782 375338220 /nfs/dbraw/zinc/33/82/20/375338220.db2.gz IWCGQRAOHKBRGO-UHFFFAOYSA-N -1 0 322.321 -0.504 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F ZINC000572607423 375350891 /nfs/dbraw/zinc/35/08/91/375350891.db2.gz XWHFYLQHBOXBBA-RQJHMYQMSA-N -1 0 316.326 -0.262 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)cn1C ZINC000570323612 375351138 /nfs/dbraw/zinc/35/11/38/375351138.db2.gz YJAWODQVDVGZCL-ONGXEEELSA-N -1 0 317.367 -0.113 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000262854200 375352778 /nfs/dbraw/zinc/35/27/78/375352778.db2.gz UKLZPANQTZZYEA-UHFFFAOYSA-N -1 0 313.354 -0.468 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N(CC(=O)[O-])C1CCC1 ZINC000570507358 375367566 /nfs/dbraw/zinc/36/75/66/375367566.db2.gz PLSCMNMRLJFDLA-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCCS1(=O)=O)[C@H](C)C(=O)[O-] ZINC000570527264 375369150 /nfs/dbraw/zinc/36/91/50/375369150.db2.gz KFFFOAQUYHLERF-SCZZXKLOSA-N -1 0 320.367 -0.999 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])c1 ZINC000570898916 375399867 /nfs/dbraw/zinc/39/98/67/375399867.db2.gz FOCUBNXFEQEHTQ-BDAKNGLRSA-N -1 0 303.340 -0.422 20 0 DBADRM C[C@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000570925599 375400478 /nfs/dbraw/zinc/40/04/78/375400478.db2.gz CSXOOXBEFOLYGB-ZETCQYMHSA-N -1 0 301.386 -0.408 20 0 DBADRM CC(=O)NCCN(C(=O)c1cnn2c1CCC2)[C@H](C)C(=O)[O-] ZINC000570719715 375383780 /nfs/dbraw/zinc/38/37/80/375383780.db2.gz SPZGVPYIHQEGNO-SECBINFHSA-N -1 0 308.338 -0.119 20 0 DBADRM CC(C)Cc1nc(=NC(=O)CN(C)S(C)(=O)=O)s[n-]1 ZINC000618347120 375436888 /nfs/dbraw/zinc/43/68/88/375436888.db2.gz SFXDRPUPYCQLJQ-UHFFFAOYSA-N -1 0 306.413 -0.012 20 0 DBADRM CNS(=O)(=O)NCC(=O)N=c1nc(CC(C)C)[n-]s1 ZINC000618349371 375438070 /nfs/dbraw/zinc/43/80/70/375438070.db2.gz UIISGEGUVRJSSJ-UHFFFAOYSA-N -1 0 307.401 -0.849 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000008276178 375452825 /nfs/dbraw/zinc/45/28/25/375452825.db2.gz NSBQHFOSBZVZBB-SECBINFHSA-N -1 0 304.299 -0.177 20 0 DBADRM Cn1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)n1 ZINC000589260567 375454929 /nfs/dbraw/zinc/45/49/29/375454929.db2.gz PGAYIKKGGUXIMP-UHFFFAOYSA-N -1 0 324.366 -0.304 20 0 DBADRM C[C@@H]1OCCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H]1C ZINC000166565626 375454986 /nfs/dbraw/zinc/45/49/86/375454986.db2.gz DBEPFHZPKXHNFO-YUMQZZPRSA-N -1 0 304.306 -0.139 20 0 DBADRM CC(C)(CCNC(=O)NCC(=O)N1CCOCC1)C(=O)[O-] ZINC000313939313 375487602 /nfs/dbraw/zinc/48/76/02/375487602.db2.gz ICJGCODIQYBAQG-UHFFFAOYSA-N -1 0 301.343 -0.355 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1 ZINC000012141674 375493500 /nfs/dbraw/zinc/49/35/00/375493500.db2.gz YYBUGSZISCHBCA-UHFFFAOYSA-N -1 0 314.363 -0.005 20 0 DBADRM CC(C)[C@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000175331726 375495717 /nfs/dbraw/zinc/49/57/17/375495717.db2.gz CIISWJPRRVBSOV-ZETCQYMHSA-N -1 0 312.351 -0.066 20 0 DBADRM O=C(N[C@@H]1CCC[C@H]1CCO)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000187885069 375588452 /nfs/dbraw/zinc/58/84/52/375588452.db2.gz LRIQFOYPSKCRAZ-GZMMTYOYSA-N -1 0 318.333 -0.108 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000363927574 375556317 /nfs/dbraw/zinc/55/63/17/375556317.db2.gz MGYCJNQUEYLZGH-SECBINFHSA-N -1 0 308.338 -0.187 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])CC1 ZINC000318790586 375560527 /nfs/dbraw/zinc/56/05/27/375560527.db2.gz QFOVXMHYPHZRBI-BXUZGUMPSA-N -1 0 311.382 -0.138 20 0 DBADRM COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000601438036 375612700 /nfs/dbraw/zinc/61/27/00/375612700.db2.gz XZQIOTBTELAGKB-IONNQARKSA-N -1 0 301.311 -0.125 20 0 DBADRM CC(C)COCCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643152648 375622663 /nfs/dbraw/zinc/62/26/63/375622663.db2.gz WPUYEXAELJSLQU-NSHDSACASA-N -1 0 316.354 -0.523 20 0 DBADRM COC(=O)[C@@H](CF)[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000601417029 375606756 /nfs/dbraw/zinc/60/67/56/375606756.db2.gz IHBNSKFQRIZCCT-RKDXNWHRSA-N -1 0 308.331 -0.820 20 0 DBADRM COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC000601440410 375611118 /nfs/dbraw/zinc/61/11/18/375611118.db2.gz VWRNQYFRRWVPDB-VIFPVBQESA-N -1 0 302.356 -0.865 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]OC[C@@H]2CCOC2)C1=O ZINC000364542187 375651464 /nfs/dbraw/zinc/65/14/64/375651464.db2.gz IZRJDMXZJDFDCU-OTYXRUKQSA-N -1 0 311.338 -0.209 20 0 DBADRM CC(=O)N[C@@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)C1CCCC1 ZINC000364528261 375651807 /nfs/dbraw/zinc/65/18/07/375651807.db2.gz GKWNZQMTGJDGJK-VXGBXAGGSA-N -1 0 322.369 -0.206 20 0 DBADRM Cc1ccc(CCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)o1 ZINC000643154782 375632499 /nfs/dbraw/zinc/63/24/99/375632499.db2.gz TWWDMMIQURORJW-NSHDSACASA-N -1 0 310.306 -0.441 20 0 DBADRM CCn1nccc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000364407943 375634552 /nfs/dbraw/zinc/63/45/52/375634552.db2.gz CVCBAGJTBHCPFN-SECBINFHSA-N -1 0 303.340 -0.233 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000364410542 375635646 /nfs/dbraw/zinc/63/56/46/375635646.db2.gz IMPCTRPWIOBHMJ-BDAKNGLRSA-N -1 0 309.340 -0.699 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@H]2Cc3ccccc32)CCO1 ZINC000643156764 375637304 /nfs/dbraw/zinc/63/73/04/375637304.db2.gz TVWVEQFSWWDYPE-YPMHNXCESA-N -1 0 318.329 -0.246 20 0 DBADRM CC(C)CCOCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643156782 375637382 /nfs/dbraw/zinc/63/73/82/375637382.db2.gz WSFQFACIQVBGAO-LLVKDONJSA-N -1 0 316.354 -0.523 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cn1 ZINC000364419589 375637563 /nfs/dbraw/zinc/63/75/63/375637563.db2.gz REJJFVPVMNGUCL-VIFPVBQESA-N -1 0 303.340 -0.233 20 0 DBADRM CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1(C)C ZINC000643168632 375687715 /nfs/dbraw/zinc/68/77/15/375687715.db2.gz SAQSINFPFUEPSG-LPEHRKFASA-N -1 0 314.338 -0.772 20 0 DBADRM CCN(CC)C(=O)CN1CCCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC000616997957 375697957 /nfs/dbraw/zinc/69/79/57/375697957.db2.gz YOEPJHSDEWEPFC-UHFFFAOYSA-N -1 0 324.385 -0.473 20 0 DBADRM CC(=O)NC(C)(C)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000591151843 375708068 /nfs/dbraw/zinc/70/80/68/375708068.db2.gz HTWOTJPUUHQHLU-UHFFFAOYSA-N -1 0 321.384 -0.237 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000591270069 375709514 /nfs/dbraw/zinc/70/95/14/375709514.db2.gz PYDJGDVDCJHWOX-IVZWLZJFSA-N -1 0 300.311 -0.177 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000591350202 375712234 /nfs/dbraw/zinc/71/22/34/375712234.db2.gz CYKWUPZQCHDATO-SECBINFHSA-N -1 0 321.351 -0.413 20 0 DBADRM O=C(NC1=NCC(=O)N1)c1nn(-c2ccccc2F)cc1[O-] ZINC000591436440 375713471 /nfs/dbraw/zinc/71/34/71/375713471.db2.gz GPGYRTJYUDUHCX-UHFFFAOYSA-N -1 0 303.253 -0.067 20 0 DBADRM CCSCCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591459282 375715592 /nfs/dbraw/zinc/71/55/92/375715592.db2.gz WLZHIQROGLSFLW-VIFPVBQESA-N -1 0 304.368 -0.442 20 0 DBADRM CC[C@H](CSC)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591459072 375716962 /nfs/dbraw/zinc/71/69/62/375716962.db2.gz DXSSQRYCEMAEKE-BDAKNGLRSA-N -1 0 304.368 -0.444 20 0 DBADRM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)[C@@H]1COC[C@@H]1OC ZINC000591696921 375741294 /nfs/dbraw/zinc/74/12/94/375741294.db2.gz JUDQULSAZKVCFZ-GJMOJQLCSA-N -1 0 317.310 -0.484 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCCc2nnnn2C)c1 ZINC000591774147 375746403 /nfs/dbraw/zinc/74/64/03/375746403.db2.gz WUYOYMFZGOXZCE-JOCHJYFZSA-N -1 0 323.378 -0.315 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000592195815 375783126 /nfs/dbraw/zinc/78/31/26/375783126.db2.gz KWINWLUHUSJPMO-ONGXEEELSA-N -1 0 306.322 -0.622 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cn1 ZINC000567810878 375774854 /nfs/dbraw/zinc/77/48/54/375774854.db2.gz KNQMRWBMMJJTHQ-LLVKDONJSA-N -1 0 302.308 -0.388 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCC(C)(C(=O)[O-])CC2)nn1 ZINC000592991751 375841895 /nfs/dbraw/zinc/84/18/95/375841895.db2.gz MFZWZNDWJDPOMQ-UHFFFAOYSA-N -1 0 310.310 -0.222 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCOC[C@@H]1C(=O)[O-])C(=O)OC ZINC000592988547 375842186 /nfs/dbraw/zinc/84/21/86/375842186.db2.gz IBHCCIWSSWTYSF-HOSYDEDBSA-N -1 0 316.354 -0.524 20 0 DBADRM COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000592993044 375842212 /nfs/dbraw/zinc/84/22/12/375842212.db2.gz GWLWWYMIAKTZPX-GHMZBOCLSA-N -1 0 314.338 -0.959 20 0 DBADRM CCCSC[C@H](NS(=O)(=O)c1cnnn1C)C(=O)[O-] ZINC000593254630 375853181 /nfs/dbraw/zinc/85/31/81/375853181.db2.gz PQRDPRLKFAWNIJ-ZETCQYMHSA-N -1 0 308.385 -0.310 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)[C@H]1CCO[C@H](C)C1)C(=O)[O-] ZINC000593255975 375853995 /nfs/dbraw/zinc/85/39/95/375853995.db2.gz AVTQUWTUCICUIG-KXUCPTDWSA-N -1 0 323.367 -0.120 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H](C)O1 ZINC000593842306 375891405 /nfs/dbraw/zinc/89/14/05/375891405.db2.gz JHOKBQMIADHIGS-BQBZGAKWSA-N -1 0 316.339 -0.609 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000593923898 375896926 /nfs/dbraw/zinc/89/69/26/375896926.db2.gz GIXFRCDUBGQFCH-BDAKNGLRSA-N -1 0 300.311 -0.636 20 0 DBADRM COC(=O)c1cn(CCNC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)nn1 ZINC000593923928 375897861 /nfs/dbraw/zinc/89/78/61/375897861.db2.gz HGBUFGOHYJIZPR-BDAKNGLRSA-N -1 0 310.310 -0.318 20 0 DBADRM COC(=O)c1ccc(CNS(=O)(=O)c2cnnn2C)nc1 ZINC000594471248 375927722 /nfs/dbraw/zinc/92/77/22/375927722.db2.gz QWRFUALOBRKOBC-UHFFFAOYSA-N -1 0 311.323 -0.525 20 0 DBADRM COC(=O)C1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000594544543 375933647 /nfs/dbraw/zinc/93/36/47/375933647.db2.gz MDFFBPAKWUWEAN-QMMMGPOBSA-N -1 0 300.311 -0.765 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000594546953 375934509 /nfs/dbraw/zinc/93/45/09/375934509.db2.gz YEABZHTUARBJMY-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000594541545 375934754 /nfs/dbraw/zinc/93/47/54/375934754.db2.gz BBKZCQGBIQCMDH-BDAKNGLRSA-N -1 0 300.311 -0.765 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000594544398 375934870 /nfs/dbraw/zinc/93/48/70/375934870.db2.gz KJAADRPCCMLTHD-NXEZZACHSA-N -1 0 314.338 -0.375 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000594535329 375935717 /nfs/dbraw/zinc/93/57/17/375935717.db2.gz AJZKCOMEYHRCCW-JTQLQIEISA-N -1 0 316.354 -0.083 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cn1C ZINC000594526616 375936068 /nfs/dbraw/zinc/93/60/68/375936068.db2.gz DSYLPWOXYLYXPP-ZETCQYMHSA-N -1 0 311.294 -0.413 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CSCC(=O)[O-])C[C@H]21 ZINC000595277646 375991525 /nfs/dbraw/zinc/99/15/25/375991525.db2.gz PBWRWILVQSJAJF-YIZRAAEISA-N -1 0 323.392 -0.925 20 0 DBADRM CN(CC(=O)NC(=O)NCc1ccco1)Cc1n[n-]c(=O)o1 ZINC000595551661 376016335 /nfs/dbraw/zinc/01/63/35/376016335.db2.gz KAIXNFMCUKFQPI-UHFFFAOYSA-N -1 0 309.282 -0.174 20 0 DBADRM C[S@](=O)C1(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000595263871 375984659 /nfs/dbraw/zinc/98/46/59/375984659.db2.gz WGTXBARDENEGAJ-GOGRFCQKSA-N -1 0 316.379 -0.360 20 0 DBADRM CCN(C(=O)CSCC(=O)N1CCOCC1)[C@H](C)C(=O)[O-] ZINC000595280806 375990779 /nfs/dbraw/zinc/99/07/79/375990779.db2.gz JCYZPJFTKCMVJX-SNVBAGLBSA-N -1 0 318.395 -0.100 20 0 DBADRM COC(=O)C(C)(C)n1ccc(=NC(=O)N=c2ncn(C)[n-]2)[nH]1 ZINC000596920222 376103666 /nfs/dbraw/zinc/10/36/66/376103666.db2.gz RACPJLWRGYJOMB-UHFFFAOYSA-N -1 0 307.314 -0.593 20 0 DBADRM COC(=O)c1cn(CC(=O)NC[C@H](C(=O)[O-])C2CCC2)nn1 ZINC000596004066 376058602 /nfs/dbraw/zinc/05/86/02/376058602.db2.gz UNULMLOVWVWELV-VIFPVBQESA-N -1 0 310.310 -0.318 20 0 DBADRM CCOC(=O)Cn1[n-]c(C)c(C(=O)NC[C@@H]2CCCO2)c1=O ZINC000596010520 376058993 /nfs/dbraw/zinc/05/89/93/376058993.db2.gz SNIAVMUIYRAZBZ-JQWIXIFHSA-N -1 0 311.338 -0.321 20 0 DBADRM COC(=O)c1oc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc1C ZINC000596032678 376065956 /nfs/dbraw/zinc/06/59/56/376065956.db2.gz OWPBVVBPNOKLNH-ZETCQYMHSA-N -1 0 321.307 -0.511 20 0 DBADRM COC(=O)c1oc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc1C ZINC000596024549 376066318 /nfs/dbraw/zinc/06/63/18/376066318.db2.gz SGZNYVPOBCJLRD-NSHDSACASA-N -1 0 321.307 -0.511 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])C[C@H]1C ZINC000595999241 376066742 /nfs/dbraw/zinc/06/67/42/376066742.db2.gz KTMKJRXDVGHHRY-QMTHXVAHSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)CCN1CCN(C(=O)c2cc(=O)n(C)[n-]2)[C@@H](C)C1 ZINC000597476446 376139819 /nfs/dbraw/zinc/13/98/19/376139819.db2.gz LJRSQHFXEFWDNZ-JTQLQIEISA-N -1 0 310.354 -0.165 20 0 DBADRM COC(=O)[C@@](C)(O)CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000597508881 376140946 /nfs/dbraw/zinc/14/09/46/376140946.db2.gz SXGAMBMKWOCVPC-AWEZNQCLSA-N -1 0 321.289 -0.316 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597495145 376142727 /nfs/dbraw/zinc/14/27/27/376142727.db2.gz ALRHQGMWUFJSQN-QOLSBQFWSA-N -1 0 320.392 -0.464 20 0 DBADRM CCOC(=O)C[C@@H](CO)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000597674825 376161821 /nfs/dbraw/zinc/16/18/21/376161821.db2.gz VVMCLEBYYKFABO-ZETCQYMHSA-N -1 0 309.278 -0.028 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000054334096 376213428 /nfs/dbraw/zinc/21/34/28/376213428.db2.gz WLUQFSHPUAGASP-VIFPVBQESA-N -1 0 322.383 -0.183 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCC2(CO)CC2)on1 ZINC000599321208 376281482 /nfs/dbraw/zinc/28/14/82/376281482.db2.gz IQOIFRMKUWMELK-UHFFFAOYSA-N -1 0 304.324 -0.098 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]Cc2noc(C)n2)on1 ZINC000599242525 376256374 /nfs/dbraw/zinc/25/63/74/376256374.db2.gz NMGPATVGJHWFMO-UHFFFAOYSA-N -1 0 302.268 -0.369 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCN2CCCC2)on1 ZINC000599209272 376257700 /nfs/dbraw/zinc/25/77/00/376257700.db2.gz PQFMCOMSXFPTID-UHFFFAOYSA-N -1 0 303.340 -0.165 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)on1 ZINC000599239115 376262620 /nfs/dbraw/zinc/26/26/20/376262620.db2.gz NUDHPAFFPQFAMH-ZETCQYMHSA-N -1 0 317.323 -0.640 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCN(C)C2=O)on1 ZINC000599249429 376263929 /nfs/dbraw/zinc/26/39/29/376263929.db2.gz BLJXFLBIPJUGQP-SSDOTTSWSA-N -1 0 317.323 -0.640 20 0 DBADRM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)no1)C(=O)OC ZINC000599256229 376264793 /nfs/dbraw/zinc/26/47/93/376264793.db2.gz XGRHTAQVAIHADV-LURJTMIESA-N -1 0 306.296 -0.309 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC[C@H](C)[S@](C)=O)on1 ZINC000599260501 376266197 /nfs/dbraw/zinc/26/61/97/376266197.db2.gz HGAPIDDKURIRAH-IIYDVTGLSA-N -1 0 324.380 -0.103 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC[C@@H](C)[S@](C)=O)on1 ZINC000599260626 376266787 /nfs/dbraw/zinc/26/67/87/376266787.db2.gz HGAPIDDKURIRAH-XJZHNMMOSA-N -1 0 324.380 -0.103 20 0 DBADRM CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599264323 376266939 /nfs/dbraw/zinc/26/69/39/376266939.db2.gz APIXSXBGBGKXPC-UHFFFAOYSA-N -1 0 319.339 -0.488 20 0 DBADRM COC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)OC)no1)OC ZINC000599273088 376268063 /nfs/dbraw/zinc/26/80/63/376268063.db2.gz ZPRXMIYLCSPCGG-SSDOTTSWSA-N -1 0 308.312 -0.599 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C2(C)C)on1 ZINC000599281915 376269624 /nfs/dbraw/zinc/26/96/24/376269624.db2.gz XHPHQXWMFAZBQO-JGVFFNPUSA-N -1 0 304.324 -0.101 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCc2ccn(C)n2)on1 ZINC000599282304 376270882 /nfs/dbraw/zinc/27/08/82/376270882.db2.gz ZXLKOFDODLZXNN-UHFFFAOYSA-N -1 0 314.323 -0.284 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCC2CC(O)C2)on1 ZINC000599286756 376275734 /nfs/dbraw/zinc/27/57/34/376275734.db2.gz MCXKPWNNSQOPRU-UHFFFAOYSA-N -1 0 304.324 -0.100 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)C2CCC2)on1 ZINC000599337791 376277515 /nfs/dbraw/zinc/27/75/15/376277515.db2.gz IGTPJVNBSDOZPA-VIFPVBQESA-N -1 0 304.324 -0.100 20 0 DBADRM CCc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1 ZINC000037406593 182888245 /nfs/dbraw/zinc/88/82/45/182888245.db2.gz RVJVVTZFRZBZQJ-JTQLQIEISA-N -1 0 300.336 -0.144 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599752561 376332705 /nfs/dbraw/zinc/33/27/05/376332705.db2.gz PYEHGEWURMQARG-RLBGWGEZSA-N -1 0 319.408 -0.050 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599752563 376333232 /nfs/dbraw/zinc/33/32/32/376333232.db2.gz PYEHGEWURMQARG-YLVJLNSGSA-N -1 0 319.408 -0.050 20 0 DBADRM COC(=O)c1cnn(CC(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1 ZINC000599762379 376334631 /nfs/dbraw/zinc/33/46/31/376334631.db2.gz PHIUAQVUBMHJCX-MRVPVSSYSA-N -1 0 307.314 -0.555 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000599861177 376341686 /nfs/dbraw/zinc/34/16/86/376341686.db2.gz YREUWFQEGXIRGC-VIFPVBQESA-N -1 0 315.326 -0.828 20 0 DBADRM COc1ccc(C(=O)NCC(=O)NCc2nnn[n-]2)cc1OC ZINC000599334071 376283322 /nfs/dbraw/zinc/28/33/22/376283322.db2.gz CBBFGUAALRENJH-UHFFFAOYSA-N -1 0 320.309 -0.737 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000599334585 376283575 /nfs/dbraw/zinc/28/35/75/376283575.db2.gz NGVQKKDCIZZOIR-UHFFFAOYSA-N -1 0 315.268 -0.185 20 0 DBADRM CCn1c(=O)[nH]c2cc(C(=O)NCc3nnn[n-]3)ccc2c1=O ZINC000599335014 376284778 /nfs/dbraw/zinc/28/47/78/376284778.db2.gz WSLNKEWARQMRCY-UHFFFAOYSA-N -1 0 315.293 -0.435 20 0 DBADRM Cc1ccc(C(=O)NCc2nnn[n-]2)cc1NS(C)(=O)=O ZINC000599377743 376285680 /nfs/dbraw/zinc/28/56/80/376285680.db2.gz ZEQBJUGDOYXJKI-UHFFFAOYSA-N -1 0 310.339 -0.190 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NC[C@H]2COCCO2)C1 ZINC000252384779 376303088 /nfs/dbraw/zinc/30/30/88/376303088.db2.gz CCBDEKSPRZQRHP-ZJUUUORDSA-N -1 0 308.356 -0.967 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])CCO1 ZINC000601997116 376402685 /nfs/dbraw/zinc/40/26/85/376402685.db2.gz JTUGMUJUQFOZHS-WCABBAIRSA-N -1 0 318.395 -0.055 20 0 DBADRM CSC1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000601583438 376376349 /nfs/dbraw/zinc/37/63/49/376376349.db2.gz BBWIFVUVSUBGLY-JTQLQIEISA-N -1 0 316.379 -0.348 20 0 DBADRM C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000070073069 376554187 /nfs/dbraw/zinc/55/41/87/376554187.db2.gz PVBUZXVHMILPBD-VIFPVBQESA-N -1 0 312.347 -0.177 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccccc1OC)C(=O)[O-] ZINC000070141604 376554889 /nfs/dbraw/zinc/55/48/89/376554889.db2.gz JTKNWIIJUHXYPC-QMMMGPOBSA-N -1 0 317.319 -0.010 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)C(=O)OC ZINC000603591635 376565304 /nfs/dbraw/zinc/56/53/04/376565304.db2.gz MPQYXLPLEDLWAP-VIFPVBQESA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F ZINC000603299724 376543657 /nfs/dbraw/zinc/54/36/57/376543657.db2.gz KNZFOFNEZWXICQ-NKWVEPMBSA-N -1 0 301.311 -0.269 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)[O-] ZINC000071337463 376610476 /nfs/dbraw/zinc/61/04/76/376610476.db2.gz MLODOFVMKPDVJG-BDAKNGLRSA-N -1 0 308.356 -0.431 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)C(=O)[O-] ZINC000071337473 376610990 /nfs/dbraw/zinc/61/09/90/376610990.db2.gz BMJXDGJYDZAGQN-BBBLOLIVSA-N -1 0 322.383 -0.185 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000606118004 376726977 /nfs/dbraw/zinc/72/69/77/376726977.db2.gz ZFOTXCLEOFTENM-UHFFFAOYSA-N -1 0 312.293 -0.360 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2nnn[n-]2)c2ccccc2O1 ZINC000606116991 376727061 /nfs/dbraw/zinc/72/70/61/376727061.db2.gz JBCRKKFDAONDOM-MRVPVSSYSA-N -1 0 302.294 -0.370 20 0 DBADRM CC(C)COc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cn1 ZINC000606116445 376728057 /nfs/dbraw/zinc/72/80/57/376728057.db2.gz CZGKNYBRRKSNEB-UHFFFAOYSA-N -1 0 319.325 -0.116 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC[C@H]2CCCOC2)cn1 ZINC000038044601 376735846 /nfs/dbraw/zinc/73/58/46/376735846.db2.gz ULOVJGGYAULRTP-SECBINFHSA-N -1 0 303.340 -0.327 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)CCO1 ZINC000261996703 376765561 /nfs/dbraw/zinc/76/55/61/376765561.db2.gz UQCZPKVZZAILDQ-NSHDSACASA-N -1 0 310.281 -0.133 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccc(OCC(N)=O)cc1 ZINC000262036293 376765960 /nfs/dbraw/zinc/76/59/60/376765960.db2.gz ZPHWLSJMFPVQSE-UHFFFAOYSA-N -1 0 310.306 -0.276 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000262341549 376811449 /nfs/dbraw/zinc/81/14/49/376811449.db2.gz UIBPOQLWVCUZBE-HTQZYQBOSA-N -1 0 324.255 -0.291 20 0 DBADRM CO[C@H](C)c1nsc(=NCC2CN(S(C)(=O)=O)C2)[n-]1 ZINC000337876170 376900172 /nfs/dbraw/zinc/90/01/72/376900172.db2.gz QQBITZLYECHUIG-SSDOTTSWSA-N -1 0 306.413 -0.029 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000262411350 376901377 /nfs/dbraw/zinc/90/13/77/376901377.db2.gz JEASNJFOWZGOGI-LBPRGKRZSA-N -1 0 321.333 -0.949 20 0 DBADRM CO[C@@H](C)c1nsc(=NC[C@@H]2CS(=O)(=O)CCO2)[n-]1 ZINC000337881094 376901388 /nfs/dbraw/zinc/90/13/88/376901388.db2.gz URVYJJXCRHZNDX-JGVFFNPUSA-N -1 0 307.397 -0.107 20 0 DBADRM CC(C)C(=O)NCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000051325690 376895198 /nfs/dbraw/zinc/89/51/98/376895198.db2.gz XCZKOSMNPNUHNH-UHFFFAOYSA-N -1 0 319.321 -0.474 20 0 DBADRM C[C@@H](CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)[O-] ZINC000262499441 376976065 /nfs/dbraw/zinc/97/60/65/376976065.db2.gz HYSFDAJLOVCCTA-QMMMGPOBSA-N -1 0 313.335 -0.679 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)CCO1 ZINC000262430003 376923086 /nfs/dbraw/zinc/92/30/86/376923086.db2.gz RSAGGTGIFGZDRA-LLVKDONJSA-N -1 0 303.278 -0.412 20 0 DBADRM CN(C)c1nc(C(=O)NCCCc2n[nH]c(=O)[n-]2)cc(=O)[nH]1 ZINC000338830623 376979035 /nfs/dbraw/zinc/97/90/35/376979035.db2.gz FBBOZPQRVNOMCC-UHFFFAOYSA-N -1 0 307.314 -0.566 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000262525955 377013858 /nfs/dbraw/zinc/01/38/58/377013858.db2.gz NNGLKOLMFXOBEC-QMMMGPOBSA-N -1 0 305.290 -0.061 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000339104347 377018499 /nfs/dbraw/zinc/01/84/99/377018499.db2.gz WQRYHAWSTASDSV-UHFFFAOYSA-N -1 0 319.387 -0.487 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C(=O)[O-])ccc1OC ZINC000262541321 377022824 /nfs/dbraw/zinc/02/28/24/377022824.db2.gz RJSYBKUOEFNFIA-ZETCQYMHSA-N -1 0 316.335 -0.194 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000262591012 377034105 /nfs/dbraw/zinc/03/41/05/377034105.db2.gz HSIHGZSYGCWLRL-WDEREUQCSA-N -1 0 319.317 -0.208 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H](C)C(=O)[O-] ZINC000262500470 376980714 /nfs/dbraw/zinc/98/07/14/376980714.db2.gz IBDYQADHCPNQSL-ZETCQYMHSA-N -1 0 316.335 -0.207 20 0 DBADRM CN(CC(=O)[O-])C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000262505183 376983878 /nfs/dbraw/zinc/98/38/78/376983878.db2.gz ZHIIAHCLNBEMND-CQSZACIVSA-N -1 0 305.290 -0.102 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CNC(=O)NCc1ccco1 ZINC000262513451 376996853 /nfs/dbraw/zinc/99/68/53/376996853.db2.gz PHUCNVXIDLYKOF-SNVBAGLBSA-N -1 0 311.294 -0.609 20 0 DBADRM CO[C@H](C)c1nsc(NC([O-])=CS(=O)(=O)N(C)C)n1 ZINC000338914650 376997176 /nfs/dbraw/zinc/99/71/76/376997176.db2.gz LGHMZEOHAIWQIW-ZCFIWIBFSA-N -1 0 308.385 -0.503 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000338992000 377001064 /nfs/dbraw/zinc/00/10/64/377001064.db2.gz GNYMTUJZACYWGO-VIFPVBQESA-N -1 0 319.387 -0.487 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](CO)C2CCC2)c1 ZINC000617316951 377007820 /nfs/dbraw/zinc/00/78/20/377007820.db2.gz OZVMYHJWOPXFOC-LLVKDONJSA-N -1 0 314.363 -0.070 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000263028958 377109060 /nfs/dbraw/zinc/10/90/60/377109060.db2.gz UJTOFYSMSMPFLP-UHFFFAOYSA-N -1 0 321.333 -0.405 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CN2C(=O)c3ccccc3C2=O)CCO1 ZINC000262995682 377109779 /nfs/dbraw/zinc/10/97/79/377109779.db2.gz OZHWBMICGMZNRO-NSHDSACASA-N -1 0 318.285 -0.405 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000262612571 377066268 /nfs/dbraw/zinc/06/62/68/377066268.db2.gz LLJWPQYLGAOKIH-SDDRHHMPSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC000531521381 377072818 /nfs/dbraw/zinc/07/28/18/377072818.db2.gz WIKGAJHDNDZCSD-JTQLQIEISA-N -1 0 322.369 -0.721 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262893901 377104301 /nfs/dbraw/zinc/10/43/01/377104301.db2.gz APUKIBDUPKCVTD-IUCAKERBSA-N -1 0 302.352 -0.390 20 0 DBADRM CC[C@@H](NC(=O)CNS(=O)(=O)CCOC(C)C)C(=O)[O-] ZINC000262975938 377106225 /nfs/dbraw/zinc/10/62/25/377106225.db2.gz MIJMCFLHFQMKKM-SECBINFHSA-N -1 0 310.372 -0.690 20 0 DBADRM COC[C@](C)(NC(=O)CNC(=O)COc1ccccc1)C(=O)[O-] ZINC000263011189 377106929 /nfs/dbraw/zinc/10/69/29/377106929.db2.gz WPICXXPNHFJTQZ-HNNXBMFYSA-N -1 0 324.333 -0.213 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339939972 377158824 /nfs/dbraw/zinc/15/88/24/377158824.db2.gz ZDKBWBZHSQWFDR-JTQLQIEISA-N -1 0 323.280 -0.019 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)CCCC(=O)[O-] ZINC000571281302 377166395 /nfs/dbraw/zinc/16/63/95/377166395.db2.gz PRTRMJPZJJQZKL-BDAKNGLRSA-N -1 0 315.413 -0.066 20 0 DBADRM C[C@]1(c2cccc(C(=O)NCCC(=O)[O-])c2)NC(=O)NC1=O ZINC000263240680 377184071 /nfs/dbraw/zinc/18/40/71/377184071.db2.gz GFHWMLLUHGRUHM-CQSZACIVSA-N -1 0 305.290 -0.054 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000263254629 377186066 /nfs/dbraw/zinc/18/60/66/377186066.db2.gz FKANEDDBWNAIOL-QMMMGPOBSA-N -1 0 313.335 -0.585 20 0 DBADRM CC(=O)NCCN(C(=O)Cn1nc(C)cc1C)[C@@H](C)C(=O)[O-] ZINC000262199885 377267201 /nfs/dbraw/zinc/26/72/01/377267201.db2.gz IGTQFUMSBMZGBO-NSHDSACASA-N -1 0 310.354 -0.062 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000262207350 377267322 /nfs/dbraw/zinc/26/73/22/377267322.db2.gz STVXNHZRFJNLNR-QWRGUYRKSA-N -1 0 322.365 -0.002 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)N[C@]1(C(=O)[O-])CCOC1)c2=O ZINC000262151070 377267930 /nfs/dbraw/zinc/26/79/30/377267930.db2.gz TZRLMFDMPOJLJG-OAHLLOKOSA-N -1 0 317.301 -0.024 20 0 DBADRM Cc1cc(C)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])s1 ZINC000292423829 377229703 /nfs/dbraw/zinc/22/97/03/377229703.db2.gz KZUDQOQEQFAJPN-ZETCQYMHSA-N -1 0 306.365 -0.028 20 0 DBADRM CN1C(=O)c2ccc(C(=O)N[C@]3(C(=O)[O-])CCOC3)cc2C1=O ZINC000262154619 377268075 /nfs/dbraw/zinc/26/80/75/377268075.db2.gz MFMAMGRYZXOHCZ-OAHLLOKOSA-N -1 0 318.285 -0.114 20 0 DBADRM CNS(=O)(=O)c1ccc(N2CCO[C@@H](CC(=O)[O-])C2)nc1 ZINC000571567165 377254222 /nfs/dbraw/zinc/25/42/22/377254222.db2.gz ZUEJIQXLOYZWFX-VIFPVBQESA-N -1 0 315.351 -0.330 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCCN1C(C)=O)[C@@H](C)C(=O)[O-] ZINC000262292731 377269568 /nfs/dbraw/zinc/26/95/68/377269568.db2.gz YVTNDPUYESGVNI-CABZTGNLSA-N -1 0 313.354 -0.565 20 0 DBADRM CN1CC(=O)N(CC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1=O ZINC000262272508 377269591 /nfs/dbraw/zinc/26/95/91/377269591.db2.gz TYWFXBOETHLOIC-LKFCYVNXSA-N -1 0 309.322 -0.406 20 0 DBADRM COC(=O)c1cc(OC)c(S(=O)(=O)NCC(=O)[O-])s1 ZINC000261666227 377258614 /nfs/dbraw/zinc/25/86/14/377258614.db2.gz JSFSTTHHRPGBEW-UHFFFAOYSA-N -1 0 309.321 -0.094 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N[C@H](CCOC)C(=O)[O-] ZINC000262264696 377269672 /nfs/dbraw/zinc/26/96/72/377269672.db2.gz FPCVQVHRIFJRTP-RKDXNWHRSA-N -1 0 304.368 -0.096 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C ZINC000261653621 377258678 /nfs/dbraw/zinc/25/86/78/377258678.db2.gz HYSKQHCAJBWUTO-QMMMGPOBSA-N -1 0 319.339 -0.026 20 0 DBADRM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCC(=O)[O-] ZINC000261601666 377259511 /nfs/dbraw/zinc/25/95/11/377259511.db2.gz BWISLEJCZODRIQ-UHFFFAOYSA-N -1 0 323.348 -0.538 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000261652124 377259634 /nfs/dbraw/zinc/25/96/34/377259634.db2.gz HVDNXTHZOOSBKO-ZETCQYMHSA-N -1 0 313.335 -0.372 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000261727905 377261395 /nfs/dbraw/zinc/26/13/95/377261395.db2.gz SBCLJFGRPRITND-SSDOTTSWSA-N -1 0 307.349 -0.159 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)Cc2ccc(-n3cnnn3)cc2)CCOC1 ZINC000262057942 377264594 /nfs/dbraw/zinc/26/45/94/377264594.db2.gz GOKSIULBSAWTHY-CQSZACIVSA-N -1 0 317.305 -0.435 20 0 DBADRM Cn1c2ccccc2n(CC(=O)N[C@@]2(C(=O)[O-])CCOC2)c1=O ZINC000262073181 377265829 /nfs/dbraw/zinc/26/58/29/377265829.db2.gz COWOYDSWDGFVTC-HNNXBMFYSA-N -1 0 319.317 -0.300 20 0 DBADRM CN(CC(=O)Nc1ccc(OCC(=O)[O-])cc1)S(C)(=O)=O ZINC000262319971 377270485 /nfs/dbraw/zinc/27/04/85/377270485.db2.gz QQHVGUXLJRROOC-UHFFFAOYSA-N -1 0 316.335 -0.020 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cnn(C)c1 ZINC000262384414 377274184 /nfs/dbraw/zinc/27/41/84/377274184.db2.gz HMSUYTGZOKCWBT-MRVPVSSYSA-N -1 0 318.355 -0.980 20 0 DBADRM COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC000420601010 291664014 /nfs/dbraw/zinc/66/40/14/291664014.db2.gz OYEVLDPBQNAHKJ-ZDUSSCGKSA-N -1 0 300.311 -0.621 20 0 DBADRM CO[C@H](CNC(=O)CCNC(=O)Cc1ccccc1)C(=O)[O-] ZINC000263029740 377280282 /nfs/dbraw/zinc/28/02/82/377280282.db2.gz CCPKHZGHLQKUPQ-GFCCVEGCSA-N -1 0 308.334 -0.049 20 0 DBADRM CC[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)[O-] ZINC000263018134 377280930 /nfs/dbraw/zinc/28/09/30/377280930.db2.gz SEJWMIWSAGIFOP-SECBINFHSA-N -1 0 313.335 -0.537 20 0 DBADRM CO[C@@H](CNC(=O)CN1C(=O)COc2ccccc21)C(=O)[O-] ZINC000263039647 377281635 /nfs/dbraw/zinc/28/16/35/377281635.db2.gz DKJFIQOFDGIJPX-NSHDSACASA-N -1 0 308.290 -0.372 20 0 DBADRM CN1C(=O)c2ccc(C(=O)NCCOCC(=O)[O-])cc2C1=O ZINC000263493065 377282128 /nfs/dbraw/zinc/28/21/28/377282128.db2.gz XFMJUNNOAHLDEH-UHFFFAOYSA-N -1 0 306.274 -0.257 20 0 DBADRM Cc1ccc(-c2nnn(CC(=O)NCCOCC(=O)[O-])n2)cc1 ZINC000263501265 377284269 /nfs/dbraw/zinc/28/42/69/377284269.db2.gz ZBHBDBJNBQJEGS-UHFFFAOYSA-N -1 0 319.321 -0.134 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)CCn1cncn1)C(=O)[O-] ZINC000263265026 377284317 /nfs/dbraw/zinc/28/43/17/377284317.db2.gz KSEUZZYXWOPFRM-JTQLQIEISA-N -1 0 311.342 -0.600 20 0 DBADRM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NN2CC(=O)NC2=O)C1 ZINC000263640740 377286832 /nfs/dbraw/zinc/28/68/32/377286832.db2.gz ARKZOCRNIXWDTP-ZJUUUORDSA-N -1 0 310.354 -0.146 20 0 DBADRM COC[C@H](O)CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000268628008 377367082 /nfs/dbraw/zinc/36/70/82/377367082.db2.gz LOYWMFXGUWFJSL-SECBINFHSA-N -1 0 302.352 -0.205 20 0 DBADRM COc1ccsc1S(=O)(=O)NCCC(=O)NC(N)=O ZINC000268814292 377374721 /nfs/dbraw/zinc/37/47/21/377374721.db2.gz VDUUOQOXLIDUEG-UHFFFAOYSA-N -1 0 307.353 -0.380 20 0 DBADRM CCS(=O)(=O)CCNS(=O)(=O)c1cccc2nonc21 ZINC000268871255 377376726 /nfs/dbraw/zinc/37/67/26/377376726.db2.gz OZNCDHANTPCTJY-UHFFFAOYSA-N -1 0 319.364 -0.064 20 0 DBADRM COc1ccnc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC000268921674 377378047 /nfs/dbraw/zinc/37/80/47/377378047.db2.gz SWJCSXWUVRZTFR-VHSXEESVSA-N -1 0 306.322 -0.146 20 0 DBADRM COc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC000268921672 377378208 /nfs/dbraw/zinc/37/82/08/377378208.db2.gz SWJCSXWUVRZTFR-UWVGGRQHSA-N -1 0 306.322 -0.146 20 0 DBADRM CN(C)c1cccc(CNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC000270088642 377434572 /nfs/dbraw/zinc/43/45/72/377434572.db2.gz MLPAXLVUXCIVAJ-UHFFFAOYSA-N -1 0 303.322 -0.123 20 0 DBADRM COC[C@@H](O)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000270141438 377437316 /nfs/dbraw/zinc/43/73/16/377437316.db2.gz VCBMQBNPNTULMO-VIFPVBQESA-N -1 0 323.374 -0.191 20 0 DBADRM CC[C@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H](O)C(F)(F)F ZINC000270919028 377474808 /nfs/dbraw/zinc/47/48/08/377474808.db2.gz UPLTVSODKMECHK-BQBZGAKWSA-N -1 0 309.244 -0.083 20 0 DBADRM Cc1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])sc1C ZINC000271338415 377493809 /nfs/dbraw/zinc/49/38/09/377493809.db2.gz CFHZKNGNPPYTMS-UHFFFAOYSA-N -1 0 306.365 -0.156 20 0 DBADRM C[C@@H](CCC(=O)[O-])NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000271928716 377512535 /nfs/dbraw/zinc/51/25/35/377512535.db2.gz HCOYJCJXAJWZAH-CYNONHLPSA-N -1 0 309.322 -0.533 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000275930848 377537090 /nfs/dbraw/zinc/53/70/90/377537090.db2.gz BBLYLECETNXOPN-UHFFFAOYSA-N -1 0 307.306 -0.053 20 0 DBADRM CN(C)c1c(Cl)cccc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000276114113 377548098 /nfs/dbraw/zinc/54/80/98/377548098.db2.gz KSJHQQOOWLPJPP-UHFFFAOYSA-N -1 0 314.729 -0.122 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)O1 ZINC000276115828 377548147 /nfs/dbraw/zinc/54/81/47/377548147.db2.gz KWQRVXSWCLBCPR-CSMHCCOUSA-N -1 0 324.255 -0.102 20 0 DBADRM CO[C@H](C)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000276132960 377549089 /nfs/dbraw/zinc/54/90/89/377549089.db2.gz AZPMWXVHORKDGV-ZCFIWIBFSA-N -1 0 314.323 -0.251 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000277233977 377590568 /nfs/dbraw/zinc/59/05/68/377590568.db2.gz BSDJSYZWXDMWQF-RXMQYKEDSA-N -1 0 309.244 -0.635 20 0 DBADRM COC(=O)Nc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000277282705 377590622 /nfs/dbraw/zinc/59/06/22/377590622.db2.gz PUEPPPCNXCSSLV-SECBINFHSA-N -1 0 318.307 -0.411 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccco1 ZINC000277316760 377593582 /nfs/dbraw/zinc/59/35/82/377593582.db2.gz TYQVUGNQMSORNH-QMMMGPOBSA-N -1 0 323.348 -0.458 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc2c(c1)OCO2 ZINC000277689178 377603845 /nfs/dbraw/zinc/60/38/45/377603845.db2.gz QTDYQQCXPDTIIQ-UHFFFAOYSA-N -1 0 314.319 -0.389 20 0 DBADRM COc1ncccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000277701828 377604586 /nfs/dbraw/zinc/60/45/86/377604586.db2.gz RKIZLCAZAQLFBN-UHFFFAOYSA-N -1 0 301.324 -0.714 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cn1ncc2ccccc21 ZINC000277718910 377606584 /nfs/dbraw/zinc/60/65/84/377606584.db2.gz SICSXPVSEYVHOJ-UHFFFAOYSA-N -1 0 324.362 -0.382 20 0 DBADRM Cc1cc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c(C)o1 ZINC000278164900 377617255 /nfs/dbraw/zinc/61/72/55/377617255.db2.gz CTQAWYHOAIMYHD-UHFFFAOYSA-N -1 0 304.324 -0.234 20 0 DBADRM CCn1cc([N-]S(=O)(=O)C[C@@H]2CCCO2)c(C(N)=O)n1 ZINC000278599845 377626597 /nfs/dbraw/zinc/62/65/97/377626597.db2.gz KYEOJVSXZFVEQH-QMMMGPOBSA-N -1 0 302.356 -0.077 20 0 DBADRM CN1C(=O)c2ccc(S(=O)(=O)N3CC[C@H]3C(=O)[O-])cc2C1=O ZINC000279204251 377647194 /nfs/dbraw/zinc/64/71/94/377647194.db2.gz GIKIEGMNMJOMTC-JTQLQIEISA-N -1 0 324.314 -0.240 20 0 DBADRM CCOc1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cn1 ZINC000279553817 377659961 /nfs/dbraw/zinc/65/99/61/377659961.db2.gz WULMFEQGKRTIGR-UHFFFAOYSA-N -1 0 314.323 -0.322 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCO)cc1 ZINC000340082466 377722751 /nfs/dbraw/zinc/72/27/51/377722751.db2.gz XTXSRYOWEBJKDE-UHFFFAOYSA-N -1 0 324.362 -0.057 20 0 DBADRM C[C@]1(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CCC(=O)NC1 ZINC000282474559 377782650 /nfs/dbraw/zinc/78/26/50/377782650.db2.gz UXKOTXMNJRDKAH-AWEZNQCLSA-N -1 0 316.321 -0.190 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(Cl)cn1 ZINC000282021316 377759840 /nfs/dbraw/zinc/75/98/40/377759840.db2.gz JNMQBIUXSMJGRD-UHFFFAOYSA-N -1 0 305.743 -0.069 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@@]1(O)CCSC1 ZINC000282021114 377761328 /nfs/dbraw/zinc/76/13/28/377761328.db2.gz XIAYRSUMBTVUOU-GFCCVEGCSA-N -1 0 307.335 -0.238 20 0 DBADRM CCc1ncsc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000282337361 377774244 /nfs/dbraw/zinc/77/42/44/377774244.db2.gz WASHWPFTTFIFSW-UHFFFAOYSA-N -1 0 305.381 -0.099 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)cn1 ZINC000263573860 377896053 /nfs/dbraw/zinc/89/60/53/377896053.db2.gz MZBMLNNXFSBCFM-JTQLQIEISA-N -1 0 315.351 -0.171 20 0 DBADRM COC[C@H](CO)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000292668953 377956700 /nfs/dbraw/zinc/95/67/00/377956700.db2.gz VSNRNZBBRULQLL-VIFPVBQESA-N -1 0 323.374 -0.191 20 0 DBADRM CC[C@@H](C)CO[N-]C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000292237437 377947014 /nfs/dbraw/zinc/94/70/14/377947014.db2.gz QBBYWMCWSJTYSQ-SECBINFHSA-N -1 0 323.353 -0.472 20 0 DBADRM CNC(=O)OC[C@H]1CCCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000292569203 377954904 /nfs/dbraw/zinc/95/49/04/377954904.db2.gz IOMSENHOINLJNA-SECBINFHSA-N -1 0 324.337 -0.163 20 0 DBADRM CCCNS(=O)(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000293479124 377973167 /nfs/dbraw/zinc/97/31/67/377973167.db2.gz QMUAPHFKCMCDFI-JTQLQIEISA-N -1 0 315.399 -0.251 20 0 DBADRM C[C@@H](c1ccccc1)[C@@H](NC(=O)CN1CC(=O)NC1=O)C(N)=O ZINC000294455412 377991119 /nfs/dbraw/zinc/99/11/19/377991119.db2.gz ZZJQVWIHBPGBQP-TVQRCGJNSA-N -1 0 318.333 -0.688 20 0 DBADRM C[C@@H](c1ccccc1)[C@H](NC(=O)CN1CC(=O)NC1=O)C(N)=O ZINC000294455420 377991419 /nfs/dbraw/zinc/99/14/19/377991419.db2.gz ZZJQVWIHBPGBQP-ZANVPECISA-N -1 0 318.333 -0.688 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263577032 377995520 /nfs/dbraw/zinc/99/55/20/377995520.db2.gz RAXWHSMYDXWCEE-LLVKDONJSA-N -1 0 314.363 -0.262 20 0 DBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N[C@@H]1COC[C@H]1O ZINC000296867714 378032647 /nfs/dbraw/zinc/03/26/47/378032647.db2.gz IMGRILFKRBRFBU-GHMZBOCLSA-N -1 0 321.358 -0.439 20 0 DBADRM O=C(Cn1cc(Br)ccc1=O)NCc1nnn[n-]1 ZINC000044928784 378042617 /nfs/dbraw/zinc/04/26/17/378042617.db2.gz LQRZHFLPLKSQOL-UHFFFAOYSA-N -1 0 313.115 -0.560 20 0 DBADRM Cn1[n-]nnc1=NCc1cccc(OCCN2CCOCC2)c1 ZINC000608080935 378079533 /nfs/dbraw/zinc/07/95/33/378079533.db2.gz PPHKZLIKBKYFMS-UHFFFAOYSA-N -1 0 318.381 -0.045 20 0 DBADRM COC(=O)C1(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)CC1 ZINC000342192726 378086928 /nfs/dbraw/zinc/08/69/28/378086928.db2.gz ADEOJUHLWMPBDE-UHFFFAOYSA-N -1 0 320.352 -0.199 20 0 DBADRM O=c1[n-]c([C@H]2CCCN(S(=O)(=O)[C@@H]3CCOC3)C2)n[nH]1 ZINC000328868532 378192462 /nfs/dbraw/zinc/19/24/62/378192462.db2.gz XKQHJOHDTCGROD-DTWKUNHWSA-N -1 0 302.356 -0.192 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCOC1 ZINC000262318464 378307761 /nfs/dbraw/zinc/30/77/61/378307761.db2.gz QNRUCZPLWXZFGU-RDDDGLTNSA-N -1 0 324.255 -0.243 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCn2ccnc2C1)[C@@H](C)C(=O)[O-] ZINC000623176521 378360268 /nfs/dbraw/zinc/36/02/68/378360268.db2.gz DADRFIRMUZQPHS-JQWIXIFHSA-N -1 0 322.365 -0.117 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC000348947398 378403919 /nfs/dbraw/zinc/40/39/19/378403919.db2.gz BQUTVGUADUCVFH-VIFPVBQESA-N -1 0 315.413 -0.064 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000584345200 378407688 /nfs/dbraw/zinc/40/76/88/378407688.db2.gz SCZKWWRBJGJAEG-HNNXBMFYSA-N -1 0 323.349 -0.857 20 0 DBADRM C[C@H]1OCCN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)[C@H]1C ZINC000530154299 378444264 /nfs/dbraw/zinc/44/42/64/378444264.db2.gz LKNCYLUOTCMXNH-JGVFFNPUSA-N -1 0 303.340 -0.084 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N(CC(=O)[O-])C2CC2)cc1 ZINC000532260241 378448881 /nfs/dbraw/zinc/44/88/81/378448881.db2.gz ZVRJOPLIUYTIOE-UHFFFAOYSA-N -1 0 312.347 -0.048 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C[C@@H](C)O1 ZINC000582179081 378417498 /nfs/dbraw/zinc/41/74/98/378417498.db2.gz IYFKUVWZOHEQKF-SFYZADRCSA-N -1 0 319.339 -0.468 20 0 DBADRM C[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H](C)S1(=O)=O ZINC000329659084 378500035 /nfs/dbraw/zinc/50/00/35/378500035.db2.gz NRMVZFAHRYKKIL-KNVOCYPGSA-N -1 0 320.396 -0.364 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC/C=C/CO)c1 ZINC000617685332 378553182 /nfs/dbraw/zinc/55/31/82/378553182.db2.gz NQTDHQHEKQJQHG-ONEGZZNKSA-N -1 0 314.363 -0.079 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000532676114 378585250 /nfs/dbraw/zinc/58/52/50/378585250.db2.gz FYHZTFJRULLNNS-SSDOTTSWSA-N -1 0 322.321 -0.879 20 0 DBADRM CN(C[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)S(C)(=O)=O ZINC000352566454 378574103 /nfs/dbraw/zinc/57/41/03/378574103.db2.gz ZQIQRCSFQJSMAL-VIFPVBQESA-N -1 0 303.388 -0.386 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000547572658 378578138 /nfs/dbraw/zinc/57/81/38/378578138.db2.gz MUKJOPFHGGGFMC-HRDYMLBCSA-N -1 0 309.340 -0.917 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])s1 ZINC000547604920 378580239 /nfs/dbraw/zinc/58/02/39/378580239.db2.gz AHGAUXFJPGTRPA-ULCDLSAGSA-N -1 0 324.405 -0.342 20 0 DBADRM CC[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)C(=O)[O-] ZINC000532597520 378581759 /nfs/dbraw/zinc/58/17/59/378581759.db2.gz NJSFEIIDFPMEFR-SSDOTTSWSA-N -1 0 306.365 -0.083 20 0 DBADRM C[C@@H]1CN(C(=O)NCCS(=O)(=O)N(C)C)CC[C@@H]1C(=O)[O-] ZINC000313968803 378591668 /nfs/dbraw/zinc/59/16/68/378591668.db2.gz NIUWUZIZYDLSCP-ZJUUUORDSA-N -1 0 321.399 -0.370 20 0 DBADRM COCc1cc(NCCCc2nc(=O)[n-][nH]2)n2ncnc2n1 ZINC000301535437 378601538 /nfs/dbraw/zinc/60/15/38/378601538.db2.gz MJCFAZITNDKLRB-UHFFFAOYSA-N -1 0 304.314 -0.273 20 0 DBADRM CCn1cc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)cn1 ZINC000367140221 378620995 /nfs/dbraw/zinc/62/09/95/378620995.db2.gz FVEKZRWXVMEXAV-UHFFFAOYSA-N -1 0 303.340 -0.185 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)NCc2nnn[n-]2)c(F)c1 ZINC000609952977 378623313 /nfs/dbraw/zinc/62/33/13/378623313.db2.gz QPVCCXRKJKIOLO-UHFFFAOYSA-N -1 0 322.256 -0.620 20 0 DBADRM CCOC(=O)c1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1 ZINC000609952989 378623536 /nfs/dbraw/zinc/62/35/36/378623536.db2.gz USOUZXQBGITINW-UHFFFAOYSA-N -1 0 318.293 -0.369 20 0 DBADRM CC(C)(NC(=O)c1cn(CC2(C)COC2)nn1)c1nnn[n-]1 ZINC000353711911 378679864 /nfs/dbraw/zinc/67/98/64/378679864.db2.gz PWGZCAOPKKPTQV-UHFFFAOYSA-N -1 0 306.330 -0.507 20 0 DBADRM O=C(NCCN1C(=O)CNC1=O)c1cnc2ccccc2c1O ZINC000354515785 378736471 /nfs/dbraw/zinc/73/64/71/378736471.db2.gz SWUVDQSKUPKASW-UHFFFAOYSA-N -1 0 314.301 -0.190 20 0 DBADRM NC(=O)COCCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000354580079 378740393 /nfs/dbraw/zinc/74/03/93/378740393.db2.gz VUJQRCUKULHVML-UHFFFAOYSA-N -1 0 322.296 -0.051 20 0 DBADRM CCNC(=O)[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C(C)C ZINC000354317584 378724296 /nfs/dbraw/zinc/72/42/96/378724296.db2.gz RZPDRBDPYRQZTB-MRVPVSSYSA-N -1 0 301.372 -0.121 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000367173486 378733960 /nfs/dbraw/zinc/73/39/60/378733960.db2.gz LVUPUYCNVRTVPK-YIZRAAEISA-N -1 0 309.340 -0.701 20 0 DBADRM CC(C)(NC(=O)c1cn(Cc2ccccn2)nn1)c1nnn[n-]1 ZINC000354769622 378765215 /nfs/dbraw/zinc/76/52/15/378765215.db2.gz GXHNYLPMSJJILZ-UHFFFAOYSA-N -1 0 313.325 -0.100 20 0 DBADRM CC(C)(NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1nnn[n-]1 ZINC000354797388 378767312 /nfs/dbraw/zinc/76/73/12/378767312.db2.gz YFATXWPPDPNYOE-CYBMUJFWSA-N -1 0 321.341 -0.729 20 0 DBADRM CC(C)(NC(=O)CCCN1C(=O)NC(C)(C)C1=O)c1nnn[n-]1 ZINC000354807337 378768857 /nfs/dbraw/zinc/76/88/57/378768857.db2.gz VNCKCCTZDXXZSP-UHFFFAOYSA-N -1 0 323.357 -0.338 20 0 DBADRM COCCn1cc(NC(=O)c2c(C)[n-]n(CCOC)c2=O)cn1 ZINC000355323618 378805792 /nfs/dbraw/zinc/80/57/92/378805792.db2.gz QXDYEKWSJHBIBP-GFCCVEGCSA-N -1 0 323.353 -0.051 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC(=O)N(C)C1 ZINC000355454576 378816461 /nfs/dbraw/zinc/81/64/61/378816461.db2.gz JQZKBZWLIMTDEE-UHFFFAOYSA-N -1 0 314.319 -0.186 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)Cn1[n-]c(SC)nc1=O ZINC000355974268 378847277 /nfs/dbraw/zinc/84/72/77/378847277.db2.gz ZFKBJIPNLFSVBN-LURJTMIESA-N -1 0 303.344 -0.846 20 0 DBADRM O=C(CN1CC(=O)NC1=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000355817373 378839007 /nfs/dbraw/zinc/83/90/07/378839007.db2.gz DXODQENLDHQPJA-UHFFFAOYSA-N -1 0 316.277 -0.332 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCn2nccc21 ZINC000367230726 378872566 /nfs/dbraw/zinc/87/25/66/378872566.db2.gz KFVGOLMLCGAKGC-UHFFFAOYSA-N -1 0 311.323 -0.008 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)CNC(C)=O)ccc1[O-] ZINC000357336373 378938857 /nfs/dbraw/zinc/93/88/57/378938857.db2.gz LXQBCPLRDOIJCR-UHFFFAOYSA-N -1 0 301.324 -0.625 20 0 DBADRM O=C(CN1CN=NC1=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000357021230 378913181 /nfs/dbraw/zinc/91/31/81/378913181.db2.gz YTMVBPIGUMLPKU-UHFFFAOYSA-N -1 0 302.254 -0.696 20 0 DBADRM CS(=O)(=O)Nc1cncc(C(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000357045406 378914052 /nfs/dbraw/zinc/91/40/52/378914052.db2.gz CHFNEKSCMKGIGC-UHFFFAOYSA-N -1 0 323.338 -0.615 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)NC1(c2nnn[n-]2)CC1 ZINC000357048372 378914290 /nfs/dbraw/zinc/91/42/90/378914290.db2.gz MMYQTCZHCBOXDL-UHFFFAOYSA-N -1 0 301.372 -0.234 20 0 DBADRM O=C(CN1C(=O)c2ccccc2C1=O)NC1(c2nnn[n-]2)CC1 ZINC000357067156 378916181 /nfs/dbraw/zinc/91/61/81/378916181.db2.gz DLWMEXZNUHMCTN-UHFFFAOYSA-N -1 0 312.289 -0.399 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)NC1(c2nnn[n-]2)CC1 ZINC000357071603 378916581 /nfs/dbraw/zinc/91/65/81/378916581.db2.gz FNHZGHLVCSTDFX-UHFFFAOYSA-N -1 0 316.321 -0.256 20 0 DBADRM NC(=O)CN(CC(N)=O)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000357615547 378959799 /nfs/dbraw/zinc/95/97/99/378959799.db2.gz KVVFCECAABZQGW-UHFFFAOYSA-N -1 0 305.212 -0.778 20 0 DBADRM COc1ccc(COCCNC(=O)C[C@H]2NC(=O)NC2=O)cc1 ZINC000357973628 378987112 /nfs/dbraw/zinc/98/71/12/378987112.db2.gz LEDCJNIHLSUXIX-GFCCVEGCSA-N -1 0 321.333 -0.074 20 0 DBADRM CC(C)CO[C@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000643431325 378992586 /nfs/dbraw/zinc/99/25/86/378992586.db2.gz HHBBXFSTEFROLN-NXEZZACHSA-N -1 0 307.368 -0.242 20 0 DBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)Cc1ccon1)C(=O)OC ZINC000358130446 379001807 /nfs/dbraw/zinc/00/18/07/379001807.db2.gz MBEURCVBLLFOMN-MRVPVSSYSA-N -1 0 306.296 -0.801 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000358387832 379034677 /nfs/dbraw/zinc/03/46/77/379034677.db2.gz ZKXRFPGJCWHLHL-RKDXNWHRSA-N -1 0 318.403 -0.665 20 0 DBADRM O=C(Cn1c(=O)cnc2ccccc21)NCc1n[nH]c(=O)[n-]1 ZINC000358351494 379029098 /nfs/dbraw/zinc/02/90/98/379029098.db2.gz FTURCVDWUQPYJB-UHFFFAOYSA-N -1 0 300.278 -0.463 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)CCc2nnc[nH]2)C1=O ZINC000358704996 379077296 /nfs/dbraw/zinc/07/72/96/379077296.db2.gz BJJSJFMDYRDKBG-JOYOIKCWSA-N -1 0 323.353 -0.436 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)Cc2cnn(C)c2)C1=O ZINC000358715389 379082223 /nfs/dbraw/zinc/08/22/23/379082223.db2.gz OCZWOBZYRAVTLC-YPMHNXCESA-N -1 0 322.365 -0.211 20 0 DBADRM CCCCO[C@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000643432560 379087746 /nfs/dbraw/zinc/08/77/46/379087746.db2.gz UJNUEOUOXKUBDW-NXEZZACHSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)c2nccnc2N)C1=O ZINC000358705969 379079379 /nfs/dbraw/zinc/07/93/79/379079379.db2.gz CCEQWICXXJABBB-WPRPVWTQSA-N -1 0 321.337 -0.501 20 0 DBADRM CC(C)(C)CCNC(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000643435341 379111737 /nfs/dbraw/zinc/11/17/37/379111737.db2.gz GRIUQUVUBLAJKT-SNVBAGLBSA-N -1 0 320.411 -0.278 20 0 DBADRM CN1CCN(c2cc(NCc3n[nH]c(=O)[n-]3)ncn2)CC1=O ZINC000359807723 379201565 /nfs/dbraw/zinc/20/15/65/379201565.db2.gz RVHAWGDPGIDTNW-UHFFFAOYSA-N -1 0 304.314 -0.809 20 0 DBADRM COc1cccc(C(=O)NCC(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000360406992 379264089 /nfs/dbraw/zinc/26/40/89/379264089.db2.gz MQUKKRKUYQYABM-UHFFFAOYSA-N -1 0 305.294 -0.435 20 0 DBADRM CCOC(=O)[C@@H](CO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000360608564 379282832 /nfs/dbraw/zinc/28/28/32/379282832.db2.gz VLEFKZLEGZBTLO-MRVPVSSYSA-N -1 0 322.277 -0.910 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2nc(OC)n[nH]2)cn1 ZINC000360934799 379319531 /nfs/dbraw/zinc/31/95/31/379319531.db2.gz BOKGXBDILIAJDO-UHFFFAOYSA-N -1 0 313.295 -0.204 20 0 DBADRM CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC000643441443 379324463 /nfs/dbraw/zinc/32/44/63/379324463.db2.gz WDYQPMGDRJOGGG-UHFFFAOYSA-N -1 0 319.317 -0.164 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000361903907 379395442 /nfs/dbraw/zinc/39/54/42/379395442.db2.gz BKXREHRNJGRYIP-ZETCQYMHSA-N -1 0 322.412 -0.116 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)NC(C)(C)CCC(=O)[O-])c2=O ZINC000362460800 379438887 /nfs/dbraw/zinc/43/88/87/379438887.db2.gz ODDYTFJTUISFCG-UHFFFAOYSA-N -1 0 321.337 -0.110 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CCO3)CCO1 ZINC000643443829 379422415 /nfs/dbraw/zinc/42/24/15/379422415.db2.gz JGUFZWOBJOLXIW-GFCCVEGCSA-N -1 0 320.301 -0.128 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CCO3)CCO1 ZINC000643443832 379423107 /nfs/dbraw/zinc/42/31/07/379423107.db2.gz JGUFZWOBJOLXIW-LBPRGKRZSA-N -1 0 320.301 -0.128 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCO3)CCO1 ZINC000643444166 379423160 /nfs/dbraw/zinc/42/31/60/379423160.db2.gz ZWTGOLFOKYVGNJ-GFCCVEGCSA-N -1 0 320.301 -0.128 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000362602278 379450641 /nfs/dbraw/zinc/45/06/41/379450641.db2.gz KNSDXSBUJAHILL-QMMMGPOBSA-N -1 0 307.310 -0.691 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000367396066 379451713 /nfs/dbraw/zinc/45/17/13/379451713.db2.gz GGFLQUXTDBZKOJ-JTQLQIEISA-N -1 0 311.363 -0.185 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)C2)cn1 ZINC000368815970 379555773 /nfs/dbraw/zinc/55/57/73/379555773.db2.gz BNZPQMQDPRGMDF-WCQGTBRESA-N -1 0 308.338 -0.253 20 0 DBADRM Cn1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)n1 ZINC000022410930 379631595 /nfs/dbraw/zinc/63/15/95/379631595.db2.gz FMETVFFVADQVSI-UHFFFAOYSA-N -1 0 316.364 -0.132 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000626464923 379604495 /nfs/dbraw/zinc/60/44/95/379604495.db2.gz IYJMKNFHCMVTMP-NSHDSACASA-N -1 0 300.322 -0.022 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCc2nnc3n2CCCC3)C1 ZINC000582278788 379607044 /nfs/dbraw/zinc/60/70/44/379607044.db2.gz IOEBGMOATKZNHU-ZJUUUORDSA-N -1 0 323.353 -0.002 20 0 DBADRM CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643457010 379685651 /nfs/dbraw/zinc/68/56/51/379685651.db2.gz CFGJLYGKKDXSOU-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)CC2)C1 ZINC000633062711 379687974 /nfs/dbraw/zinc/68/79/74/379687974.db2.gz KRWBSLDRLJMXHJ-NSHDSACASA-N -1 0 309.366 -0.384 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C[C@@H](C)S1 ZINC000643457493 379688338 /nfs/dbraw/zinc/68/83/38/379688338.db2.gz GIGIMEQXIPICIM-OPRDCNLKSA-N -1 0 316.379 -0.349 20 0 DBADRM CC1(C)CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCS1 ZINC000643460273 379701204 /nfs/dbraw/zinc/70/12/04/379701204.db2.gz IKXQKFFZZLVHLZ-VIFPVBQESA-N -1 0 316.379 -0.348 20 0 DBADRM CCCN(CC(C)(C)O)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643458645 379694814 /nfs/dbraw/zinc/69/48/14/379694814.db2.gz COGVHVUSDFCQCG-SNVBAGLBSA-N -1 0 316.354 -0.692 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](c3ccco3)C2)CCO1 ZINC000643459164 379697362 /nfs/dbraw/zinc/69/73/62/379697362.db2.gz OGXDSTGXZBGGET-PWSUYJOCSA-N -1 0 322.317 -0.093 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000376672731 379676481 /nfs/dbraw/zinc/67/64/81/379676481.db2.gz MLHNPXLZFBHCNZ-NSHDSACASA-N -1 0 309.340 -0.651 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N(CC2CC2)CC2CC2)CCO1 ZINC000643460154 379704137 /nfs/dbraw/zinc/70/41/37/379704137.db2.gz KZXCUKITGSZHTD-LBPRGKRZSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCc3c[nH]nc3C2)C1 ZINC000643460827 379707295 /nfs/dbraw/zinc/70/72/95/379707295.db2.gz ITFGCYJSOWBSHV-ONGXEEELSA-N -1 0 320.349 -0.136 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](C3CC3)C2)C1 ZINC000643461221 379709397 /nfs/dbraw/zinc/70/93/97/379709397.db2.gz ZWCWFIJLFPFKCX-IAQYHMDHSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCS1 ZINC000643463755 379798719 /nfs/dbraw/zinc/79/87/19/379798719.db2.gz AHFFWXIKPMITRT-UWVGGRQHSA-N -1 0 316.379 -0.348 20 0 DBADRM CC(C)([N-]S(=O)(=O)CCCS(N)(=O)=O)C(F)(F)F ZINC000349447707 379802441 /nfs/dbraw/zinc/80/24/41/379802441.db2.gz JEJGIRXQJMNRIT-UHFFFAOYSA-N -1 0 312.335 -0.075 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC[C@H]1C ZINC000643461549 379759444 /nfs/dbraw/zinc/75/94/44/379759444.db2.gz SVQNKZZZIZGEIH-GMTAPVOTSA-N -1 0 314.338 -0.818 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCCO1 ZINC000643461833 379762568 /nfs/dbraw/zinc/76/25/68/379762568.db2.gz SWKYXCBTRNWVFZ-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC([C@H](C)C(=O)[O-])C1 ZINC000530367487 379770519 /nfs/dbraw/zinc/77/05/19/379770519.db2.gz WPSCXNSTKUFSCT-QMMMGPOBSA-N -1 0 308.356 -0.621 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C(F)F)CC2)C1 ZINC000633069813 379787135 /nfs/dbraw/zinc/78/71/35/379787135.db2.gz AZXBNRNJYJVEOR-BDAKNGLRSA-N -1 0 320.292 -0.198 20 0 DBADRM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)NCCCS(C)(=O)=O)C1 ZINC000044567856 379868376 /nfs/dbraw/zinc/86/83/76/379868376.db2.gz TWNMDJTTWGEGKJ-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000584775140 379841101 /nfs/dbraw/zinc/84/11/01/379841101.db2.gz CLESXDMUBQXWFA-CBAPKCEASA-N -1 0 319.339 -0.726 20 0 DBADRM COC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])[C@H]1CCCO1 ZINC000584781427 379843220 /nfs/dbraw/zinc/84/32/20/379843220.db2.gz NTWHPTZHCUTRPI-VHSXEESVSA-N -1 0 302.327 -0.722 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000040578776 379862332 /nfs/dbraw/zinc/86/23/32/379862332.db2.gz ZSNKPGHWPIHIHO-SNVBAGLBSA-N -1 0 321.399 -0.132 20 0 DBADRM NS(=O)(=O)c1ccc(NC[C@]2(O)CCOC2)c(C(=O)[O-])c1 ZINC000227168065 379864853 /nfs/dbraw/zinc/86/48/53/379864853.db2.gz HZFBJIKYPIQSPT-GFCCVEGCSA-N -1 0 316.335 -0.405 20 0 DBADRM Cc1c(CNS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cnn1C ZINC000226223701 379865222 /nfs/dbraw/zinc/86/52/22/379865222.db2.gz NTPYXOBBMRJWLV-SNVBAGLBSA-N -1 0 316.383 -0.140 20 0 DBADRM COc1ccc(OC)c(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC000230065147 379867114 /nfs/dbraw/zinc/86/71/14/379867114.db2.gz MHXRUTBXHNEBMK-VIFPVBQESA-N -1 0 319.335 -0.182 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000230102868 379867499 /nfs/dbraw/zinc/86/74/99/379867499.db2.gz QJBRFSWSHVIUCN-VIFPVBQESA-N -1 0 304.280 -0.027 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CC[C@H](C3CCC3)C2)CCO1 ZINC000643467022 379820664 /nfs/dbraw/zinc/82/06/64/379820664.db2.gz LLUJNRMYFLZAQU-NWDGAFQWSA-N -1 0 310.350 -0.053 20 0 DBADRM Cc1ccoc1CN(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643467181 379821222 /nfs/dbraw/zinc/82/12/22/379821222.db2.gz HULRFSCXFUMVJE-NSHDSACASA-N -1 0 310.306 -0.142 20 0 DBADRM COC[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643466453 379821227 /nfs/dbraw/zinc/82/12/27/379821227.db2.gz MEMPWBRDGNIXSF-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])cc1 ZINC000230103553 379867766 /nfs/dbraw/zinc/86/77/66/379867766.db2.gz ADMBKGPEYSKULW-SNVBAGLBSA-N -1 0 317.319 -0.149 20 0 DBADRM NC(=O)[C@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CCO1 ZINC000050925764 379912530 /nfs/dbraw/zinc/91/25/30/379912530.db2.gz OLBHUXGGRSMQFW-GFCCVEGCSA-N -1 0 303.322 -0.341 20 0 DBADRM O=C(CN1CSCC1=O)NCC1(C(=O)[O-])CCOCC1 ZINC000165931974 379883278 /nfs/dbraw/zinc/88/32/78/379883278.db2.gz YJKHKVIKDXHXPU-UHFFFAOYSA-N -1 0 302.352 -0.483 20 0 DBADRM C[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1cnn(C)c1 ZINC000125071969 379893324 /nfs/dbraw/zinc/89/33/24/379893324.db2.gz CMQRQCGMCPDLPI-SSDOTTSWSA-N -1 0 314.305 -0.164 20 0 DBADRM Cn1ncnc1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000126943387 379895453 /nfs/dbraw/zinc/89/54/53/379895453.db2.gz ZVPPQIRAGVUWPR-UHFFFAOYSA-N -1 0 306.311 -0.408 20 0 DBADRM Cc1nc2n(n1)C[C@H](NS(=O)(=O)[N-]CC(F)(F)F)CC2 ZINC000195211149 379932062 /nfs/dbraw/zinc/93/20/62/379932062.db2.gz HOLYPDJKUSWHFQ-SSDOTTSWSA-N -1 0 313.305 -0.112 20 0 DBADRM Cn1nccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000420540912 380064470 /nfs/dbraw/zinc/06/44/70/380064470.db2.gz YFJNPIKLVGFNKO-ZUZCIYMTSA-N -1 0 320.349 -0.250 20 0 DBADRM CCOC(=O)C[C@@H](C)CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000420560871 380064593 /nfs/dbraw/zinc/06/45/93/380064593.db2.gz NUVCZXREHFNWQS-NXEZZACHSA-N -1 0 314.338 -0.375 20 0 DBADRM COc1ncccc1CNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000420533600 380064635 /nfs/dbraw/zinc/06/46/35/380064635.db2.gz RRIMQSLJMHIFNZ-MWLCHTKSSA-N -1 0 321.333 -0.115 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000420569098 380064912 /nfs/dbraw/zinc/06/49/12/380064912.db2.gz VDRBZZCNOKRROQ-NSHDSACASA-N -1 0 319.317 -0.501 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCC(=O)[O-])[C@H]1OC ZINC000420568172 380065111 /nfs/dbraw/zinc/06/51/11/380065111.db2.gz WJJHXNMAWPGCMM-HOSYDEDBSA-N -1 0 316.354 -0.382 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)NCCCC(=O)[O-] ZINC000420570258 380065190 /nfs/dbraw/zinc/06/51/90/380065190.db2.gz NPIUCUURHWECHI-SECBINFHSA-N -1 0 302.327 -0.329 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1=O ZINC000420569730 380065439 /nfs/dbraw/zinc/06/54/39/380065439.db2.gz WFZCCKQAQOPVOB-RCWTZXSCSA-N -1 0 323.349 -0.955 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NCCOC(F)(F)F)C(=O)[O-] ZINC000420549608 380066865 /nfs/dbraw/zinc/06/68/65/380066865.db2.gz DPCBMCXOCYPHQV-ZCFIWIBFSA-N -1 0 300.233 -0.182 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000420551141 380066964 /nfs/dbraw/zinc/06/69/64/380066964.db2.gz HECRTFIPYABFEY-UWVGGRQHSA-N -1 0 323.349 -0.811 20 0 DBADRM CC(C)N1C[C@H](NC(=O)C(=O)N(C)CCCC(=O)[O-])CC1=O ZINC000420547045 380067081 /nfs/dbraw/zinc/06/70/81/380067081.db2.gz NLDWCOKQKRZPFW-SNVBAGLBSA-N -1 0 313.354 -0.565 20 0 DBADRM COC[C@H](Cc1ccccc1)NC(=O)C(=O)NCCC(=O)[O-] ZINC000420549262 380067150 /nfs/dbraw/zinc/06/71/50/380067150.db2.gz FOHFOFOHZLFEPO-LBPRGKRZSA-N -1 0 308.334 -0.049 20 0 DBADRM CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)NCCC(=O)[O-] ZINC000420601074 380068893 /nfs/dbraw/zinc/06/88/93/380068893.db2.gz PJNHLSOZSKKTHU-SNVBAGLBSA-N -1 0 322.317 -0.124 20 0 DBADRM CCCN1CCCN(C(=O)C(=O)NCCCC(=O)[O-])CC1=O ZINC000420593773 380069074 /nfs/dbraw/zinc/06/90/74/380069074.db2.gz OKECNEFRZSOLEO-UHFFFAOYSA-N -1 0 313.354 -0.562 20 0 DBADRM NS(=O)(=O)c1cc(F)cc([N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000070416993 380090265 /nfs/dbraw/zinc/09/02/65/380090265.db2.gz KXCNLJXZYLBTPO-UHFFFAOYSA-N -1 0 320.327 -0.003 20 0 DBADRM COC(=O)[C@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000420572333 380070466 /nfs/dbraw/zinc/07/04/66/380070466.db2.gz CBXYBZMEXXDPRG-VIFPVBQESA-N -1 0 300.311 -0.621 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCOC(F)(F)F)C1 ZINC000420573568 380071075 /nfs/dbraw/zinc/07/10/75/380071075.db2.gz ZIDLBHRLNRPNST-SNVBAGLBSA-N -1 0 312.244 -0.038 20 0 DBADRM Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000572223653 380139555 /nfs/dbraw/zinc/13/95/55/380139555.db2.gz DEFICBCYLPFMRD-GZMMTYOYSA-N -1 0 320.309 -0.074 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NC[C@H]1COCCO1 ZINC000572239776 380140035 /nfs/dbraw/zinc/14/00/35/380140035.db2.gz KYTZRHUGMFDXKM-QMMMGPOBSA-N -1 0 302.308 -0.527 20 0 DBADRM CCOC(=O)[C@]1(COC)CCCN(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000571743167 380118754 /nfs/dbraw/zinc/11/87/54/380118754.db2.gz QYQDHCIFVFTFAH-CYBMUJFWSA-N -1 0 312.326 -0.058 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000261914123 380161206 /nfs/dbraw/zinc/16/12/06/380161206.db2.gz YXYZIEFNVHFKIW-UHFFFAOYSA-N -1 0 304.368 -0.266 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000262862328 380204381 /nfs/dbraw/zinc/20/43/81/380204381.db2.gz UFOBKVOXNBHDAO-MWLCHTKSSA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@H]1OCCN[C@@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000261958269 380164182 /nfs/dbraw/zinc/16/41/82/380164182.db2.gz PEKFKBHCNVGFML-RITPCOANSA-N -1 0 321.384 -0.775 20 0 DBADRM CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C12CCC2 ZINC000572352513 380167437 /nfs/dbraw/zinc/16/74/37/380167437.db2.gz OWKLGPVAWCAEAF-HBNTYKKESA-N -1 0 310.350 -0.007 20 0 DBADRM COC[C@@H](NC(=O)Cn1nnc(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC000262967817 380205665 /nfs/dbraw/zinc/20/56/65/380205665.db2.gz MNWWVEZOORMDSR-LLVKDONJSA-N -1 0 319.321 -0.136 20 0 DBADRM O=C([O-])CCNS(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000262416429 380187178 /nfs/dbraw/zinc/18/71/78/380187178.db2.gz MHJOEWJJDFTLIX-UHFFFAOYSA-N -1 0 312.347 -0.095 20 0 DBADRM COC(=O)c1cc(C)ccc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000611603605 380187327 /nfs/dbraw/zinc/18/73/27/380187327.db2.gz HCHOBKJBOVPCHI-UHFFFAOYSA-N -1 0 318.293 -0.450 20 0 DBADRM CCN(CC)S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000262481472 380191378 /nfs/dbraw/zinc/19/13/78/380191378.db2.gz VTSAJDULBFGWJO-SECBINFHSA-N -1 0 309.388 -0.516 20 0 DBADRM C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(C)(C)O ZINC000611750531 380206491 /nfs/dbraw/zinc/20/64/91/380206491.db2.gz JNGPMLYCVOPAIU-ZETCQYMHSA-N -1 0 302.352 -0.071 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)c1cn(CC(=O)N(C)C)nn1)C1CC1 ZINC000262659249 380198014 /nfs/dbraw/zinc/19/80/14/380198014.db2.gz TYUUWQLUYWVLHC-MRVPVSSYSA-N -1 0 309.326 -0.556 20 0 DBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000262667569 380199131 /nfs/dbraw/zinc/19/91/31/380199131.db2.gz WIDZEAFAQCYZTC-MNOVXSKESA-N -1 0 319.317 -0.761 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000263150631 380212026 /nfs/dbraw/zinc/21/20/26/380212026.db2.gz WWRHPWGRKSZXLV-SECBINFHSA-N -1 0 315.351 -0.319 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000263328697 380215415 /nfs/dbraw/zinc/21/54/15/380215415.db2.gz LBCQYCQBAUMRFA-VHSXEESVSA-N -1 0 323.353 -0.108 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000263370756 380215650 /nfs/dbraw/zinc/21/56/50/380215650.db2.gz VGYBIEHGXHQFSY-FIQHERPVSA-N -1 0 323.353 -0.030 20 0 DBADRM CC(C)C[C@@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000263399679 380216518 /nfs/dbraw/zinc/21/65/18/380216518.db2.gz GEDDUZKKOBJBPS-SECBINFHSA-N -1 0 315.351 -0.042 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N(CCO)CC(=O)[O-])CCC1 ZINC000572421342 380228480 /nfs/dbraw/zinc/22/84/80/380228480.db2.gz IFXBVDQAPJAMHY-UHFFFAOYSA-N -1 0 309.340 -0.962 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CNC(=O)c2ccccc21 ZINC000626704600 380238475 /nfs/dbraw/zinc/23/84/75/380238475.db2.gz DDTQLUJFEOBVNB-JTQLQIEISA-N -1 0 302.290 -0.451 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)C[C@H]1C(=O)[O-] ZINC000422572368 380293032 /nfs/dbraw/zinc/29/30/32/380293032.db2.gz NCRIEKRZCICYDT-MWLCHTKSSA-N -1 0 316.317 -0.029 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000422820897 380297995 /nfs/dbraw/zinc/29/79/95/380297995.db2.gz SVFGZTXOHGFDDQ-UHFFFAOYSA-N -1 0 311.338 -0.857 20 0 DBADRM CC[C@]1(CO)CCCN1C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000422843921 380299614 /nfs/dbraw/zinc/29/96/14/380299614.db2.gz KBWKLPRZJOYDIN-IINYFYTJSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@@H](O)C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000422840709 380299651 /nfs/dbraw/zinc/29/96/51/380299651.db2.gz UMKCAIPFMKYICP-DDHJBXDOSA-N -1 0 312.366 -0.073 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000422831885 380299733 /nfs/dbraw/zinc/29/97/33/380299733.db2.gz FLBCBECUAJSGPN-MNOVXSKESA-N -1 0 300.355 -0.071 20 0 DBADRM CC[C@@]1(CO)CCCN1C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000422843920 380299770 /nfs/dbraw/zinc/29/97/70/380299770.db2.gz KBWKLPRZJOYDIN-HZMBPMFUSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@H]1C(C)(C)O)C(=O)[O-] ZINC000422828623 380299936 /nfs/dbraw/zinc/29/99/36/380299936.db2.gz OOOADTDCDCTWLY-ZJUUUORDSA-N -1 0 300.355 -0.073 20 0 DBADRM COCCCOC1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000422855009 380300143 /nfs/dbraw/zinc/30/01/43/380300143.db2.gz BRVOSFNWVUSVHB-SNVBAGLBSA-N -1 0 314.338 -0.817 20 0 DBADRM CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000422839709 380300562 /nfs/dbraw/zinc/30/05/62/380300562.db2.gz AEXHXENJMOBFTL-ZJUUUORDSA-N -1 0 316.354 -0.034 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000422831675 380300707 /nfs/dbraw/zinc/30/07/07/380300707.db2.gz TVDQPVSEMUYAQP-KKOKHZNYSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@@H]1C(C)(C)O)C(=O)[O-] ZINC000422828622 380300796 /nfs/dbraw/zinc/30/07/96/380300796.db2.gz OOOADTDCDCTWLY-VHSXEESVSA-N -1 0 300.355 -0.073 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)C1 ZINC000422861008 380301519 /nfs/dbraw/zinc/30/15/19/380301519.db2.gz ISAISMKJNXNMQQ-RWSFTLGLSA-N -1 0 312.366 -0.071 20 0 DBADRM COCCCOC1CN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000422865996 380302396 /nfs/dbraw/zinc/30/23/96/380302396.db2.gz ZTLRJCUMRPEXCJ-UHFFFAOYSA-N -1 0 302.327 -0.817 20 0 DBADRM CCCN1CCCN(C(=O)C(=O)N(C)CCC(=O)[O-])CC1=O ZINC000422896269 380303108 /nfs/dbraw/zinc/30/31/08/380303108.db2.gz IAPJRWVSSJWHSJ-UHFFFAOYSA-N -1 0 313.354 -0.610 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)C(=O)N1CCSC[C@H]1CCO ZINC000422907818 380303499 /nfs/dbraw/zinc/30/34/99/380303499.db2.gz XRUQOKSGQVJYMB-SNVBAGLBSA-N -1 0 318.395 -0.364 20 0 DBADRM C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000422929541 380304009 /nfs/dbraw/zinc/30/40/09/380304009.db2.gz QKZYVWFXTRLWDM-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCO[C@H](CF)C2)C1 ZINC000422932539 380305101 /nfs/dbraw/zinc/30/51/01/380305101.db2.gz ZLYRNJSXRKARTF-GMTAPVOTSA-N -1 0 316.329 -0.248 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)CCO1 ZINC000626786998 380367302 /nfs/dbraw/zinc/36/73/02/380367302.db2.gz HTYJVNDCZULIGU-GHMZBOCLSA-N -1 0 311.338 -0.365 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000424512267 380395811 /nfs/dbraw/zinc/39/58/11/380395811.db2.gz ZWBLVFJZRPUPDM-VHSXEESVSA-N -1 0 315.370 -0.558 20 0 DBADRM COC[C@H](CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])OC ZINC000424490306 380389500 /nfs/dbraw/zinc/38/95/00/380389500.db2.gz VEXHVACMYAAYHH-VIFPVBQESA-N -1 0 304.343 -0.619 20 0 DBADRM COc1ccnc(CNC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000424492174 380392437 /nfs/dbraw/zinc/39/24/37/380392437.db2.gz ZXCDYCJNPJBSSV-RKDXNWHRSA-N -1 0 322.321 -0.720 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)NCc1ncn(C)n1)C(=O)[O-] ZINC000424499052 380393503 /nfs/dbraw/zinc/39/35/03/380393503.db2.gz KAZQDQGIGVTYEO-UHFFFAOYSA-N -1 0 311.342 -0.562 20 0 DBADRM C[C@H]1CN(C(=O)NCCNC(=O)c2ccn[nH]2)CC[C@@H]1C(=O)[O-] ZINC000626759880 380349567 /nfs/dbraw/zinc/34/95/67/380349567.db2.gz UUSREDUBUKONIX-UWVGGRQHSA-N -1 0 323.353 -0.108 20 0 DBADRM Cc1ccccc1C(=O)NCC(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000081814968 380350780 /nfs/dbraw/zinc/35/07/80/380350780.db2.gz DEEDUXMOSBXFKE-UHFFFAOYSA-N -1 0 317.349 -0.115 20 0 DBADRM O=C([O-])CCNC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000626766515 380351169 /nfs/dbraw/zinc/35/11/69/380351169.db2.gz IZQGJTJZKADJFF-SECBINFHSA-N -1 0 319.325 -0.523 20 0 DBADRM CCC[C@@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)c1nnn[n-]1 ZINC000612061390 380356204 /nfs/dbraw/zinc/35/62/04/380356204.db2.gz PFLGYHPZVBMVCG-HTQZYQBOSA-N -1 0 304.376 -0.386 20 0 DBADRM C[C@H](CNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1)C(=O)[O-] ZINC000626771788 380358859 /nfs/dbraw/zinc/35/88/59/380358859.db2.gz QIVXKHBDMJWHKS-SECBINFHSA-N -1 0 319.383 -0.474 20 0 DBADRM COC(=O)c1cn([C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C2)nn1 ZINC000612839782 380450909 /nfs/dbraw/zinc/45/09/09/380450909.db2.gz WLTGAJLKTQGSGE-QMMMGPOBSA-N -1 0 320.309 -0.111 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000628524169 380454944 /nfs/dbraw/zinc/45/49/44/380454944.db2.gz IIFYPFVYZZIODJ-RYUDHWBXSA-N -1 0 314.363 -0.374 20 0 DBADRM CCC[C@@H](O)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612425382 380403432 /nfs/dbraw/zinc/40/34/32/380403432.db2.gz ZQXCQZJDQIKBPU-MRVPVSSYSA-N -1 0 302.352 -0.070 20 0 DBADRM COC[C@@H](CCO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612504549 380406874 /nfs/dbraw/zinc/40/68/74/380406874.db2.gz ILAGBKGHDVKVNL-MRVPVSSYSA-N -1 0 318.351 -0.833 20 0 DBADRM CC[C@@H](CCO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612502625 380407403 /nfs/dbraw/zinc/40/74/03/380407403.db2.gz WPBHGFVZWRFXBH-QMMMGPOBSA-N -1 0 302.352 -0.070 20 0 DBADRM COCC[C@@H](CO)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000626881321 380496483 /nfs/dbraw/zinc/49/64/83/380496483.db2.gz OOZCBGDJXFFLOZ-JTQLQIEISA-N -1 0 317.367 -0.420 20 0 DBADRM O=C(c1nn(-c2cccc(F)c2)cc1[O-])N1C[C@H](O)[C@@H](O)C1 ZINC000628527498 380474013 /nfs/dbraw/zinc/47/40/13/380474013.db2.gz VGQBDCKHZVHKRL-QWRGUYRKSA-N -1 0 307.281 -0.105 20 0 DBADRM C[C@@](NC(=O)CCN1CCCS1(=O)=O)(C(=O)[O-])C1CC1 ZINC000537401634 380476036 /nfs/dbraw/zinc/47/60/36/380476036.db2.gz WYXCNSYWWTXXCJ-LBPRGKRZSA-N -1 0 304.368 -0.219 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC2(C(=O)[O-])CC2)c1 ZINC000537364276 380476121 /nfs/dbraw/zinc/47/61/21/380476121.db2.gz SYBZPUCPBQHJDH-UHFFFAOYSA-N -1 0 301.324 -0.388 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2COCCC2=O)cn1 ZINC000628885507 380569731 /nfs/dbraw/zinc/56/97/31/380569731.db2.gz WIVQZWLKDCKPIA-VIFPVBQESA-N -1 0 313.335 -0.459 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000629336306 380630782 /nfs/dbraw/zinc/63/07/82/380630782.db2.gz LRNINLHDVRXQBD-QMMMGPOBSA-N -1 0 315.413 -0.066 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000629340997 380631935 /nfs/dbraw/zinc/63/19/35/380631935.db2.gz SOGJRZIDIFUGQF-IUCAKERBSA-N -1 0 318.355 -0.637 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])n1 ZINC000629340316 380633227 /nfs/dbraw/zinc/63/32/27/380633227.db2.gz MGCPTZXMPGJYLG-VHSXEESVSA-N -1 0 317.367 -0.032 20 0 DBADRM O=C([O-])[C@@H](C[C@@H]1CCCOC1)NS(=O)(=O)c1c[nH]cn1 ZINC000629340051 380633504 /nfs/dbraw/zinc/63/35/04/380633504.db2.gz XVROGBQXNLWVKR-DTWKUNHWSA-N -1 0 303.340 -0.042 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1ncccc1N1CCOCC1 ZINC000629351335 380635098 /nfs/dbraw/zinc/63/50/98/380635098.db2.gz LVYPTVJPGUMPDS-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM Cn1ncc2c1nc(SCC(=O)N1CCN(C)CC1)[nH]c2=O ZINC000629218180 380612692 /nfs/dbraw/zinc/61/26/92/380612692.db2.gz WXRNXTGSNAVVKF-UHFFFAOYSA-N -1 0 322.394 -0.065 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])n1C ZINC000629293222 380622234 /nfs/dbraw/zinc/62/22/34/380622234.db2.gz HDCJTPZBMJFYHC-ZJUUUORDSA-N -1 0 317.367 -0.113 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC000632568684 380622318 /nfs/dbraw/zinc/62/23/18/380622318.db2.gz NONCTTXYBVVGDM-VIFPVBQESA-N -1 0 301.372 -0.214 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C1CC1 ZINC000629292122 380622342 /nfs/dbraw/zinc/62/23/42/380622342.db2.gz ZUUFGOAWNSTOMH-UWVGGRQHSA-N -1 0 322.383 -0.560 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@@H](CO)C(=O)[O-])c1ccc(F)cc1 ZINC000629294330 380622487 /nfs/dbraw/zinc/62/24/87/380622487.db2.gz WYDLLPFAXAVBAV-QWRGUYRKSA-N -1 0 321.326 -0.122 20 0 DBADRM CCO[C@H](CS(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])C1CC1 ZINC000629292462 380622631 /nfs/dbraw/zinc/62/26/31/380622631.db2.gz NABGZXYNVAJVKC-DTWKUNHWSA-N -1 0 308.356 -0.951 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)CO1 ZINC000629303739 380623599 /nfs/dbraw/zinc/62/35/99/380623599.db2.gz BETYVAYOHKFGAH-SECBINFHSA-N -1 0 307.368 -0.205 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1ccccc1O[C@H]1CC(=O)N1 ZINC000629301613 380624172 /nfs/dbraw/zinc/62/41/72/380624172.db2.gz NPUKEOVPTWMKIK-NSHDSACASA-N -1 0 323.334 -0.159 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cnc(C)n1C)C(=O)[O-] ZINC000629295746 380624224 /nfs/dbraw/zinc/62/42/24/380624224.db2.gz ODDIXLCLZQGRCM-SCZZXKLOSA-N -1 0 305.356 -0.379 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cnn(C)c2C)[C@@](C)(C(=O)[O-])C1 ZINC000629308318 380625152 /nfs/dbraw/zinc/62/51/52/380625152.db2.gz IJGSNFQEDGHVKG-JOYOIKCWSA-N -1 0 317.367 -0.019 20 0 DBADRM Cc1ncc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C(=O)[O-])n1C ZINC000629305245 380625371 /nfs/dbraw/zinc/62/53/71/380625371.db2.gz MSLSAIGAHJGSDI-DKCNOQQISA-N -1 0 317.367 -0.020 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000629313849 380625377 /nfs/dbraw/zinc/62/53/77/380625377.db2.gz ALNVEOQNKXCUCZ-UHFFFAOYSA-N -1 0 311.323 -0.007 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2ccnn2C)[C@@](C)(C(=O)[O-])C1 ZINC000629306981 380625430 /nfs/dbraw/zinc/62/54/30/380625430.db2.gz AYFMOAJMHRIGEK-GZMMTYOYSA-N -1 0 303.340 -0.327 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000629307352 380625443 /nfs/dbraw/zinc/62/54/43/380625443.db2.gz CUNIRFBMAVACSS-ONGXEEELSA-N -1 0 310.372 -0.627 20 0 DBADRM CO[C@@H]1CN(C(=O)N2CCS(=O)(=O)CC2)[C@@](C)(C(=O)[O-])C1 ZINC000629310552 380625449 /nfs/dbraw/zinc/62/54/49/380625449.db2.gz UBRLCBKRZWYOMW-JOYOIKCWSA-N -1 0 320.367 -0.599 20 0 DBADRM O=C([O-])[C@H]1CC(F)(F)CN1S(=O)(=O)N1CCOCC1 ZINC000629307078 380625458 /nfs/dbraw/zinc/62/54/58/380625458.db2.gz QWKXSZHEOJPLIL-SSDOTTSWSA-N -1 0 300.283 -0.642 20 0 DBADRM O=C([O-])c1cnc(CNS(=O)(=O)C[C@@H]2CCCO2)nc1 ZINC000629313648 380625796 /nfs/dbraw/zinc/62/57/96/380625796.db2.gz DAPLXVNDWZBHNW-VIFPVBQESA-N -1 0 301.324 -0.227 20 0 DBADRM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)N1CCS(=O)(=O)CC1 ZINC000629309860 380627128 /nfs/dbraw/zinc/62/71/28/380627128.db2.gz WJJXYSKEKGBDJK-ZETCQYMHSA-N -1 0 312.294 -0.369 20 0 DBADRM CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc(F)cc2[O-])C1 ZINC000629533000 380662150 /nfs/dbraw/zinc/66/21/50/380662150.db2.gz CGDWEFZXFXWRLS-UHFFFAOYSA-N -1 0 317.342 -0.248 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000640451168 380667046 /nfs/dbraw/zinc/66/70/46/380667046.db2.gz MAUJKXBQECWVIV-LURJTMIESA-N -1 0 322.243 -0.268 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1COCCN1C1CCCC1 ZINC000640466062 380669072 /nfs/dbraw/zinc/66/90/72/380669072.db2.gz NQRGSPMLNOTHHH-LLVKDONJSA-N -1 0 310.354 -0.035 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000447742897 380678091 /nfs/dbraw/zinc/67/80/91/380678091.db2.gz RKFVZHSZWWVFBN-NXSYQRQQSA-N -1 0 320.305 -0.294 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCNC(=O)C2)ccc1O ZINC000013198132 380680465 /nfs/dbraw/zinc/68/04/65/380680465.db2.gz MSDDUCILHGFWNG-UHFFFAOYSA-N -1 0 300.292 -0.789 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC000613225429 380696676 /nfs/dbraw/zinc/69/66/76/380696676.db2.gz IZCKPZINIKJSOW-QMMMGPOBSA-N -1 0 302.356 -0.721 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]2(C)CO)CC[C@H]1C(=O)[O-] ZINC000629775072 380716721 /nfs/dbraw/zinc/71/67/21/380716721.db2.gz GYZBSTMVRMEPSR-HFAKWTLXSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](O)CN1CCN(S(=O)(=O)[N-]CC(F)(F)F)C[C@@H]1C ZINC000195307521 380716836 /nfs/dbraw/zinc/71/68/36/380716836.db2.gz WOCLHDCOQJQYBX-DTWKUNHWSA-N -1 0 319.349 -0.230 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CCO)CC[C@H]1C(=O)[O-] ZINC000629778331 380717135 /nfs/dbraw/zinc/71/71/35/380717135.db2.gz AAAPDQQQEANXSZ-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]2(C)CO)CC[C@@H]1C(=O)[O-] ZINC000629775074 380717645 /nfs/dbraw/zinc/71/76/45/380717645.db2.gz GYZBSTMVRMEPSR-JRPNMDOOSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](O)CN1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000195465015 380718238 /nfs/dbraw/zinc/71/82/38/380718238.db2.gz RVRZHJUUOGBOJU-MRVPVSSYSA-N -1 0 305.322 -0.619 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1C(=O)[O-] ZINC000629776316 380718619 /nfs/dbraw/zinc/71/86/19/380718619.db2.gz MGSPLQAZEAAFEK-WISYIIOYSA-N -1 0 310.350 -0.055 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NCCN1CCCOCC1 ZINC000195465936 380718960 /nfs/dbraw/zinc/71/89/60/380718960.db2.gz PFBOZPDOVJNRJZ-UHFFFAOYSA-N -1 0 305.322 -0.305 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000629777505 380719048 /nfs/dbraw/zinc/71/90/48/380719048.db2.gz SHWYSFDGDCFXEX-HFAKWTLXSA-N -1 0 312.366 -0.071 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CCF)C2)C1 ZINC000629781393 380719895 /nfs/dbraw/zinc/71/98/95/380719895.db2.gz LYVDPHBTRMNFDN-QWRGUYRKSA-N -1 0 316.329 -0.103 20 0 DBADRM C[C@H]1CC(F)(F)CCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000629783324 380720837 /nfs/dbraw/zinc/72/08/37/380720837.db2.gz RGARRKRAZLGFPA-IUCAKERBSA-N -1 0 320.292 -0.055 20 0 DBADRM CC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000629783742 380721377 /nfs/dbraw/zinc/72/13/77/380721377.db2.gz LMGTZNJHWCMPAI-LLVKDONJSA-N -1 0 313.354 -0.563 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)CC[C@@H]1C(=O)[O-] ZINC000629783159 380721464 /nfs/dbraw/zinc/72/14/64/380721464.db2.gz FZGAOWRTNLKWPT-JZRPKSSGSA-N -1 0 324.377 -0.073 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)C1 ZINC000629784107 380721481 /nfs/dbraw/zinc/72/14/81/380721481.db2.gz QKDFLESGEGFGBF-JZRPKSSGSA-N -1 0 324.377 -0.073 20 0 DBADRM COc1cc(CS(=O)(=O)N[C@H]2CCCNC2=O)sn1 ZINC000641307561 380878572 /nfs/dbraw/zinc/87/85/72/380878572.db2.gz HNEUTFWKVPFNNJ-QMMMGPOBSA-N -1 0 305.381 -0.150 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000275196686 381022053 /nfs/dbraw/zinc/02/20/53/381022053.db2.gz GDEREVQAUNXIKC-UHNVWZDZSA-N -1 0 307.246 -0.127 20 0 DBADRM COc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc1F ZINC000230065347 381098285 /nfs/dbraw/zinc/09/82/85/381098285.db2.gz CVFYSVNRQICEBQ-VIFPVBQESA-N -1 0 307.299 -0.052 20 0 DBADRM Cc1oc(C)c(S(=O)(=O)NCCOCC(N)=O)c1C(=O)[O-] ZINC000230956375 381103483 /nfs/dbraw/zinc/10/34/83/381103483.db2.gz JZXDDUCZIVOXND-UHFFFAOYSA-N -1 0 320.323 -0.625 20 0 DBADRM COC[C@@H](CCO)[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000231520005 381104662 /nfs/dbraw/zinc/10/46/62/381104662.db2.gz FDPFTYZBXBVXNI-SSDOTTSWSA-N -1 0 324.380 -0.395 20 0 DBADRM CCN(CC(N)=O)S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000231816056 381106810 /nfs/dbraw/zinc/10/68/10/381106810.db2.gz KCLHFVAVYCUXKH-UHFFFAOYSA-N -1 0 316.335 -0.111 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)NC2(CC(=O)[O-])CC2)C1 ZINC000398284545 381076037 /nfs/dbraw/zinc/07/60/37/381076037.db2.gz MWAYTNPDMOPNTL-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CCn1cnnc1CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000226374199 381077980 /nfs/dbraw/zinc/07/79/80/381077980.db2.gz BCTWWAHWEKGMCL-UHFFFAOYSA-N -1 0 313.339 -0.187 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000613474207 381127447 /nfs/dbraw/zinc/12/74/47/381127447.db2.gz FYXHAFWBZRIFBO-SFYZADRCSA-N -1 0 304.376 -0.911 20 0 DBADRM C[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])[C@H]1CO ZINC000613834925 381198801 /nfs/dbraw/zinc/19/88/01/381198801.db2.gz SLQNRMTYYCIGCY-KWQFWETISA-N -1 0 314.363 -0.118 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2CC[C@H](O)C2)c1 ZINC000613886063 381203946 /nfs/dbraw/zinc/20/39/46/381203946.db2.gz AXZXCYHVUMUZEB-BDAKNGLRSA-N -1 0 314.363 -0.070 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CC[C@@H](CO)[C@@H](O)C1 ZINC000613907494 381205589 /nfs/dbraw/zinc/20/55/89/381205589.db2.gz NNEUXWTYLMYKFN-RYUDHWBXSA-N -1 0 319.317 -0.155 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000614382079 381250948 /nfs/dbraw/zinc/25/09/48/381250948.db2.gz IHRBDYYXFQBEIP-VIFPVBQESA-N -1 0 308.356 -0.335 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614503974 381263433 /nfs/dbraw/zinc/26/34/33/381263433.db2.gz UHPNRPWSJHVKNT-SECBINFHSA-N -1 0 312.399 -0.892 20 0 DBADRM CCC1(Cn2cc(C(=O)NCCc3nc(=O)o[n-]3)nn2)COC1 ZINC000614170047 381231802 /nfs/dbraw/zinc/23/18/02/381231802.db2.gz BWJBNCJBDZLJNK-UHFFFAOYSA-N -1 0 322.325 -0.647 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)C(=O)[O-] ZINC000614348090 381245646 /nfs/dbraw/zinc/24/56/46/381245646.db2.gz GNNHDULZXYGENC-NXEZZACHSA-N -1 0 323.367 -0.119 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N(CCO)CCC(=O)[O-])CC1 ZINC000614376001 381248013 /nfs/dbraw/zinc/24/80/13/381248013.db2.gz SASXTQFIOSISKY-UHFFFAOYSA-N -1 0 323.367 -0.572 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c[nH]1 ZINC000530141390 381291825 /nfs/dbraw/zinc/29/18/25/381291825.db2.gz UQQDCUUZPHKLII-UHFFFAOYSA-N -1 0 316.383 -0.112 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c1 ZINC000530142325 381292084 /nfs/dbraw/zinc/29/20/84/381292084.db2.gz DPPAJXJALFCPBO-UHFFFAOYSA-N -1 0 316.383 -0.410 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H](COC)OC)ccc1[O-] ZINC000614568794 381292843 /nfs/dbraw/zinc/29/28/43/381292843.db2.gz JGYFUFWCLIRQPM-JTQLQIEISA-N -1 0 318.351 -0.100 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)NC2CC2)ccc1[O-] ZINC000614568499 381292870 /nfs/dbraw/zinc/29/28/70/381292870.db2.gz HKJVFWFWXPVXNT-UHFFFAOYSA-N -1 0 313.335 -0.483 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000530148423 381293636 /nfs/dbraw/zinc/29/36/36/381293636.db2.gz GDNOGKZMGQVWLS-QNSHHTMESA-N -1 0 315.351 -0.036 20 0 DBADRM CCn1nncc1CNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC000530148145 381293642 /nfs/dbraw/zinc/29/36/42/381293642.db2.gz BJSDKBWNAAEBNI-UHFFFAOYSA-N -1 0 311.323 -0.130 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(C)cnn2C)C1 ZINC000530149375 381293917 /nfs/dbraw/zinc/29/39/17/381293917.db2.gz BLUCDYDLBIYOCI-LLVKDONJSA-N -1 0 303.340 -0.407 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000530152443 381293981 /nfs/dbraw/zinc/29/39/81/381293981.db2.gz RXMCDDQIKIBABU-DBIOUOCHSA-N -1 0 322.383 -0.486 20 0 DBADRM CCn1ncc(CNS(=O)(=O)c2scnc2C(=O)[O-])n1 ZINC000530151097 381294507 /nfs/dbraw/zinc/29/45/07/381294507.db2.gz MEQPJUCVVHMMGD-UHFFFAOYSA-N -1 0 317.352 -0.069 20 0 DBADRM CCOC[C@@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1 ZINC000530149502 381294734 /nfs/dbraw/zinc/29/47/34/381294734.db2.gz CGEZZAYQMLVSGS-QMMMGPOBSA-N -1 0 319.339 -0.466 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000530154039 381295916 /nfs/dbraw/zinc/29/59/16/381295916.db2.gz RJLRMBUGYBSZJV-NSHDSACASA-N -1 0 303.340 -0.407 20 0 DBADRM CN(CCn1cccn1)S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530155407 381296283 /nfs/dbraw/zinc/29/62/83/381296283.db2.gz UJFMVIDFFZPMAM-UHFFFAOYSA-N -1 0 313.339 -0.365 20 0 DBADRM CC(C)N(CCOCCO)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000614571559 381300265 /nfs/dbraw/zinc/30/02/65/381300265.db2.gz VDEFJLMXNGQYDY-UHFFFAOYSA-N -1 0 304.372 -0.152 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@@H]1CCC(=O)NC1 ZINC000530295781 381302385 /nfs/dbraw/zinc/30/23/85/381302385.db2.gz XXZWRDUWUKKPPD-MRVPVSSYSA-N -1 0 302.294 -0.167 20 0 DBADRM CCN(C(=O)Cn1cc(C(=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000630108523 381323000 /nfs/dbraw/zinc/32/30/00/381323000.db2.gz YJADZWXSYCRHML-JTQLQIEISA-N -1 0 315.351 -0.383 20 0 DBADRM Cc1ncc(C(=O)[O-])cc1C(=O)NCCNS(C)(=O)=O ZINC000630117232 381324518 /nfs/dbraw/zinc/32/45/18/381324518.db2.gz OCBFDQJNNFWEHT-UHFFFAOYSA-N -1 0 301.324 -0.633 20 0 DBADRM CC(C)(CNC(=O)Cn1cc(C(=O)[O-])cn1)NS(C)(=O)=O ZINC000630118786 381324752 /nfs/dbraw/zinc/32/47/52/381324752.db2.gz MNRSSZZGEMODNE-UHFFFAOYSA-N -1 0 318.355 -0.975 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)c2cc(C(=O)[O-])nn2C)C1=O ZINC000630123797 381325841 /nfs/dbraw/zinc/32/58/41/381325841.db2.gz RTHCFVKZYJRUBM-SSDOTTSWSA-N -1 0 308.294 -0.616 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2cc(C(=O)[O-])nn2C)CC1=O ZINC000630124404 381326211 /nfs/dbraw/zinc/32/62/11/381326211.db2.gz VCSWKLBNJXHOMU-KHQFGBGNSA-N -1 0 306.322 -0.143 20 0 DBADRM COCCCS(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1C ZINC000530383194 381308595 /nfs/dbraw/zinc/30/85/95/381308595.db2.gz QUCIGJFFGNXOJP-JTQLQIEISA-N -1 0 305.356 -0.190 20 0 DBADRM Cc1c([C@H](NS(=O)(=O)c2cn(C)cn2)C(=O)[O-])cnn1C ZINC000530383416 381308801 /nfs/dbraw/zinc/30/88/01/381308801.db2.gz WIVQISBXBWBIEA-JTQLQIEISA-N -1 0 313.339 -0.434 20 0 DBADRM COCCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1C ZINC000530383195 381310275 /nfs/dbraw/zinc/31/02/75/381310275.db2.gz QUCIGJFFGNXOJP-SNVBAGLBSA-N -1 0 305.356 -0.190 20 0 DBADRM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC000614684082 381319952 /nfs/dbraw/zinc/31/99/52/381319952.db2.gz AECRICKPHYYTCA-VIFPVBQESA-N -1 0 316.383 -0.378 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)c2cc(=O)n(C)[n-]2)[C@H](C)C1 ZINC000614833590 381347359 /nfs/dbraw/zinc/34/73/59/381347359.db2.gz MCUDSIOKKOZIML-SECBINFHSA-N -1 0 316.383 -0.378 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000627265084 381347910 /nfs/dbraw/zinc/34/79/10/381347910.db2.gz DGDPCFRQBDPXPB-LDYMZIIASA-N -1 0 308.338 -0.096 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC000627265565 381350045 /nfs/dbraw/zinc/35/00/45/381350045.db2.gz KIJSHSTZSIIDAP-JOYOIKCWSA-N -1 0 320.349 -0.030 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000630163133 381351133 /nfs/dbraw/zinc/35/11/33/381351133.db2.gz GCGHIVFCUWHAHY-WPRPVWTQSA-N -1 0 319.321 -0.027 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)c1 ZINC000630165023 381351891 /nfs/dbraw/zinc/35/18/91/381351891.db2.gz MZFLJVSBRNEGRM-GHMZBOCLSA-N -1 0 306.322 -0.149 20 0 DBADRM C[C@H](C(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-])S(C)(=O)=O ZINC000630278199 381378726 /nfs/dbraw/zinc/37/87/26/381378726.db2.gz SYYKBTFUPGGLAN-OPRDCNLKSA-N -1 0 307.368 -0.194 20 0 DBADRM O=C(N1CCC[C@H](c2nnn[n-]2)C1)[C@]12CCC(=O)N1CCS2 ZINC000540427345 381366137 /nfs/dbraw/zinc/36/61/37/381366137.db2.gz QNHKADKNEDBIGA-TVQRCGJNSA-N -1 0 322.394 -0.029 20 0 DBADRM O=C(N1CCC[C@@H](c2nnn[n-]2)C1)[C@]12CCC(=O)N1CCS2 ZINC000540427343 381367032 /nfs/dbraw/zinc/36/70/32/381367032.db2.gz QNHKADKNEDBIGA-NOZJJQNGSA-N -1 0 322.394 -0.029 20 0 DBADRM CN(CC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-])S(C)(=O)=O ZINC000630275564 381379060 /nfs/dbraw/zinc/37/90/60/381379060.db2.gz OLZBLFZGSMEIPH-UWVGGRQHSA-N -1 0 322.383 -0.736 20 0 DBADRM O=C([O-])c1cncc(C(=O)N2CCN(c3nccnn3)CC2)c1 ZINC000630231184 381368272 /nfs/dbraw/zinc/36/82/72/381368272.db2.gz UBXZTAHHMHYTOG-UHFFFAOYSA-N -1 0 314.305 -0.073 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CCN(c3nccnn3)CC2)O1 ZINC000630231223 381368673 /nfs/dbraw/zinc/36/86/73/381368673.db2.gz VDCPUHJIKCWAHR-UWVGGRQHSA-N -1 0 307.310 -0.848 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N1CCc2occc2[C@H]1C(=O)[O-] ZINC000630237148 381369085 /nfs/dbraw/zinc/36/90/85/381369085.db2.gz XCSXPHWVNMKFCN-ZDUSSCGKSA-N -1 0 323.305 -0.958 20 0 DBADRM C[C@H](C(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-])S(C)(=O)=O ZINC000630278201 381379308 /nfs/dbraw/zinc/37/93/08/381379308.db2.gz SYYKBTFUPGGLAN-UTLUCORTSA-N -1 0 307.368 -0.194 20 0 DBADRM O=C(CN1CSCC1=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000630280005 381379431 /nfs/dbraw/zinc/37/94/31/381379431.db2.gz PXSZVVGAPOFAEE-VHSXEESVSA-N -1 0 316.379 -0.095 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2CC[C@](OC)(C(=O)[O-])C2)cn1 ZINC000630253485 381375413 /nfs/dbraw/zinc/37/54/13/381375413.db2.gz FHUJXEKUQKSERX-CQSZACIVSA-N -1 0 307.306 -0.243 20 0 DBADRM O=C([O-])COCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000630263096 381376488 /nfs/dbraw/zinc/37/64/88/381376488.db2.gz UVFNYHMQSFHMGX-LLVKDONJSA-N -1 0 321.333 -0.353 20 0 DBADRM COc1ccc(C(=O)NCC(=O)NCCOCC(=O)[O-])cc1 ZINC000630262173 381377438 /nfs/dbraw/zinc/37/74/38/381377438.db2.gz LEEQKUVHSROUIV-UHFFFAOYSA-N -1 0 310.306 -0.358 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000627263609 381343334 /nfs/dbraw/zinc/34/33/34/381343334.db2.gz HNIFDFPBXJYAPB-IJLUTSLNSA-N -1 0 322.365 -0.043 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2ccnn2C)CC[C@H]1C(=O)[O-] ZINC000627263806 381343759 /nfs/dbraw/zinc/34/37/59/381343759.db2.gz JGEPSZLTVQKKRH-MWLCHTKSSA-N -1 0 308.338 -0.395 20 0 DBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000630441701 381417345 /nfs/dbraw/zinc/41/73/45/381417345.db2.gz QQLADFJLMUACOU-WCBMZHEXSA-N -1 0 302.352 -0.514 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CNC(=O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000543565309 381412745 /nfs/dbraw/zinc/41/27/45/381412745.db2.gz AJEBCQIMVBPKIK-ZCFIWIBFSA-N -1 0 303.278 -0.637 20 0 DBADRM O=C(CC(=O)N1CCC[C@@H](c2nnn[n-]2)C1)NCC(F)(F)F ZINC000543721054 381413977 /nfs/dbraw/zinc/41/39/77/381413977.db2.gz JIASRFVFEPSIFQ-SSDOTTSWSA-N -1 0 320.275 -0.026 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000630274798 381379982 /nfs/dbraw/zinc/37/99/82/381379982.db2.gz ZMUXESOMPIXCCD-VHSXEESVSA-N -1 0 322.383 -0.736 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@@H]2CCN(C3CCC3)C2=O)nn1 ZINC000630306689 381383434 /nfs/dbraw/zinc/38/34/34/381383434.db2.gz XCEHTNWBRFEDJQ-SECBINFHSA-N -1 0 307.310 -0.754 20 0 DBADRM CO[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)[C@](C)(C(=O)[O-])C1 ZINC000630313146 381387989 /nfs/dbraw/zinc/38/79/89/381387989.db2.gz WVMGPCBLBCYNJW-XPTSAGLGSA-N -1 0 307.306 -0.115 20 0 DBADRM CO[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)[C@@](C)(C(=O)[O-])C1 ZINC000630314086 381388124 /nfs/dbraw/zinc/38/81/24/381388124.db2.gz XLPWYKUIJWZJHC-JOYOIKCWSA-N -1 0 320.367 -0.888 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000630314286 381388371 /nfs/dbraw/zinc/38/83/71/381388371.db2.gz PREFTOUGVAXLNN-ZJUUUORDSA-N -1 0 322.383 -0.688 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)[C@](C)(C(=O)[O-])C1 ZINC000630318710 381389665 /nfs/dbraw/zinc/38/96/65/381389665.db2.gz YFOYKSNFLJMJEW-SBMIAAHKSA-N -1 0 305.352 -0.346 20 0 DBADRM Cn1nccc1COCC(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000630339102 381389812 /nfs/dbraw/zinc/38/98/12/381389812.db2.gz JPWBEDRITNYDQS-CQSZACIVSA-N -1 0 311.338 -0.066 20 0 DBADRM Cn1nnc2c1nccc2C(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC000630340878 381389825 /nfs/dbraw/zinc/38/98/25/381389825.db2.gz JLPDVSTVSPSABV-AWEZNQCLSA-N -1 0 319.321 -0.026 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)[C@H]2CCCCS2(=O)=O)CCCOC1 ZINC000630337425 381389937 /nfs/dbraw/zinc/38/99/37/381389937.db2.gz JLDOWTHGKZOXJC-ZWNOBZJWSA-N -1 0 319.379 -0.049 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)CC1=O ZINC000630443617 381416238 /nfs/dbraw/zinc/41/62/38/381416238.db2.gz DCKBFQNYLUFPPY-GARJFASQSA-N -1 0 318.395 -0.020 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)c1=O ZINC000630342110 381390026 /nfs/dbraw/zinc/39/00/26/381390026.db2.gz VGCOUYARUKAFNX-CYBMUJFWSA-N -1 0 311.294 -0.903 20 0 DBADRM CCCS(=O)(=O)CC(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000630336605 381390043 /nfs/dbraw/zinc/39/00/43/381390043.db2.gz OPBUQYQCAZQZAJ-GFCCVEGCSA-N -1 0 307.368 -0.191 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)CCCOC1 ZINC000630335305 381390236 /nfs/dbraw/zinc/39/02/36/381390236.db2.gz HSUKANYPGKQGBI-ZUZCIYMTSA-N -1 0 310.350 -0.005 20 0 DBADRM CN1CC[C@@H](C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)S1(=O)=O ZINC000630342540 381391429 /nfs/dbraw/zinc/39/14/29/381391429.db2.gz ZPIYLGQDRJVEBH-CABZTGNLSA-N -1 0 320.367 -0.982 20 0 DBADRM C[C@@H](CN(C)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC000630444029 381417508 /nfs/dbraw/zinc/41/75/08/381417508.db2.gz RVYCXDZBOVCYIP-WPRPVWTQSA-N -1 0 304.368 -0.268 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CCCOC2)c1 ZINC000614935262 381429602 /nfs/dbraw/zinc/42/96/02/381429602.db2.gz PGWCMXMUNNYBMX-MRVPVSSYSA-N -1 0 300.336 -0.052 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000627269605 381447029 /nfs/dbraw/zinc/44/70/29/381447029.db2.gz VAKHMLSIILGPEI-HBNTYKKESA-N -1 0 323.353 -0.648 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)CC1=O ZINC000630443618 381417647 /nfs/dbraw/zinc/41/76/47/381417647.db2.gz DCKBFQNYLUFPPY-GMTAPVOTSA-N -1 0 318.395 -0.020 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000547555445 381485147 /nfs/dbraw/zinc/48/51/47/381485147.db2.gz QAHQWVSZLVAKIZ-SECBINFHSA-N -1 0 313.339 -0.400 20 0 DBADRM O=C([C@@H]1CCCCS1(=O)=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000547485439 381480651 /nfs/dbraw/zinc/48/06/51/381480651.db2.gz CPSBRNYAJXRWJP-ZJUUUORDSA-N -1 0 313.383 -0.127 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000547545896 381484348 /nfs/dbraw/zinc/48/43/48/381484348.db2.gz VZSDWGSWQJAEIQ-CBAPKCEASA-N -1 0 319.339 -0.866 20 0 DBADRM CCCCCS(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-] ZINC000547550247 381485528 /nfs/dbraw/zinc/48/55/28/381485528.db2.gz BGHGLOJBUOCYLT-NSHDSACASA-N -1 0 308.400 -0.119 20 0 DBADRM CCN(CC)C(=O)CN1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC000630618418 381464525 /nfs/dbraw/zinc/46/45/25/381464525.db2.gz BPBQYYCJTRTBPY-UHFFFAOYSA-N -1 0 323.401 -0.855 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000547553809 381484731 /nfs/dbraw/zinc/48/47/31/381484731.db2.gz GSTYUSJKBWXSKV-SECBINFHSA-N -1 0 323.367 -0.404 20 0 DBADRM COCCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N1c1cnn(C)c1 ZINC000630650774 381470848 /nfs/dbraw/zinc/47/08/48/381470848.db2.gz QBRBFSRWFDSTHV-NEPJUHHUSA-N -1 0 310.354 -0.005 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCOCC(=O)[O-] ZINC000547933519 381503687 /nfs/dbraw/zinc/50/36/87/381503687.db2.gz MJPSTWQBMMXLRF-UHFFFAOYSA-N -1 0 324.336 -0.691 20 0 DBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1cccs1 ZINC000547928973 381503743 /nfs/dbraw/zinc/50/37/43/381503743.db2.gz LHKCWLPSADCFMU-GJEGPGMTSA-N -1 0 309.390 -0.046 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-] ZINC000548218462 381520354 /nfs/dbraw/zinc/52/03/54/381520354.db2.gz YALYBAJPUKBOLV-SECBINFHSA-N -1 0 310.372 -0.090 20 0 DBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1ccccc1 ZINC000547930012 381504818 /nfs/dbraw/zinc/50/48/18/381504818.db2.gz DXWWGAKCFVSICT-MLCYQJTMSA-N -1 0 303.361 -0.107 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])o1 ZINC000548196957 381516855 /nfs/dbraw/zinc/51/68/55/381516855.db2.gz MVOQVDRKMXMESD-LURJTMIESA-N -1 0 307.280 -0.820 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)cn1 ZINC000548223352 381519073 /nfs/dbraw/zinc/51/90/73/381519073.db2.gz XRKXNYATOQYUKD-SNVBAGLBSA-N -1 0 317.323 -0.802 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000548260506 381521061 /nfs/dbraw/zinc/52/10/61/381521061.db2.gz FRIVSGQFANFSBO-UWVGGRQHSA-N -1 0 319.383 -0.071 20 0 DBADRM CCN(CC)S(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548208938 381519450 /nfs/dbraw/zinc/51/94/50/381519450.db2.gz WEQSCYWKGQADTC-JTQLQIEISA-N -1 0 304.372 -0.179 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCCn2ccnn2)CC[C@@H]1C(=O)[O-] ZINC000627273087 381519483 /nfs/dbraw/zinc/51/94/83/381519483.db2.gz ZQWBAHKGTIEPCL-MNOVXSKESA-N -1 0 323.353 -0.646 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000548220967 381519504 /nfs/dbraw/zinc/51/95/04/381519504.db2.gz NBMZXWOCNBLSKJ-LURJTMIESA-N -1 0 314.241 -0.176 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000547557902 381485688 /nfs/dbraw/zinc/48/56/88/381485688.db2.gz AXUCKRKRYRLIOY-JTQLQIEISA-N -1 0 313.339 -0.136 20 0 DBADRM COC[C@@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-] ZINC000547561905 381486531 /nfs/dbraw/zinc/48/65/31/381486531.db2.gz XFNOSYWDTJXOIW-MRVPVSSYSA-N -1 0 309.340 -0.651 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000547597283 381486637 /nfs/dbraw/zinc/48/66/37/381486637.db2.gz MOTFENOVGQGCFP-GUBZILKMSA-N -1 0 322.383 -0.608 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000547592727 381486716 /nfs/dbraw/zinc/48/67/16/381486716.db2.gz JKRHMEKHPWZSBJ-UWVGGRQHSA-N -1 0 322.383 -0.089 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc2c(c1)ncn2C)C(=O)[O-] ZINC000547563164 381486731 /nfs/dbraw/zinc/48/67/31/381486731.db2.gz QKJHFTQZIKZDKV-JTQLQIEISA-N -1 0 313.335 -0.049 20 0 DBADRM COC[C@H](C)S(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000547569584 381486762 /nfs/dbraw/zinc/48/67/62/381486762.db2.gz MZTHAWUYAKNPSP-GXSJLCMTSA-N -1 0 319.383 -0.382 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)C[C@H]2CCCO2)C1 ZINC000547566316 381487214 /nfs/dbraw/zinc/48/72/14/381487214.db2.gz YBSIUASHWHPGEM-NXEZZACHSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])C[C@@H](NS(=O)(=O)c1c[nH]cn1)C1CCOCC1 ZINC000547612163 381488618 /nfs/dbraw/zinc/48/86/18/381488618.db2.gz ZUHUSUABGGASTN-SECBINFHSA-N -1 0 303.340 -0.042 20 0 DBADRM CCN(C)S(=O)(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000547608441 381488642 /nfs/dbraw/zinc/48/86/42/381488642.db2.gz CXJYFOJXVCCWQB-QMMMGPOBSA-N -1 0 310.372 -0.043 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccnn1CC)C(=O)[O-] ZINC000547614064 381488666 /nfs/dbraw/zinc/48/86/66/381488666.db2.gz DRSYTLWTVJTDRY-WCBMZHEXSA-N -1 0 305.356 -0.205 20 0 DBADRM C[C@@H](CNS(=O)(=O)CCCS(C)(=O)=O)CC(=O)[O-] ZINC000547615694 381488801 /nfs/dbraw/zinc/48/88/01/381488801.db2.gz XUIUPISVQQMEAP-MRVPVSSYSA-N -1 0 301.386 -0.549 20 0 DBADRM CC[C@](C)(CNS(=O)(=O)N(C)CCC(=O)OC)C(=O)[O-] ZINC000548228407 381519753 /nfs/dbraw/zinc/51/97/53/381519753.db2.gz FRZLTJKPSAENMU-LLVKDONJSA-N -1 0 310.372 -0.183 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000548212548 381520046 /nfs/dbraw/zinc/52/00/46/381520046.db2.gz AAPHQAWAIRPFLJ-NXEZZACHSA-N -1 0 319.383 -0.904 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000547887408 381501400 /nfs/dbraw/zinc/50/14/00/381501400.db2.gz RHNDZLMJNFSWCR-ONGXEEELSA-N -1 0 316.383 -0.266 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000547903062 381501543 /nfs/dbraw/zinc/50/15/43/381501543.db2.gz PLSZNZFHQVCAEG-SSDOTTSWSA-N -1 0 317.410 -0.790 20 0 DBADRM CCCN(C)S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000547886167 381502209 /nfs/dbraw/zinc/50/22/09/381502209.db2.gz QDHFCYYQDWWNTC-SECBINFHSA-N -1 0 307.372 -0.904 20 0 DBADRM CCc1noc2ncc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc12 ZINC000547888222 381502717 /nfs/dbraw/zinc/50/27/17/381502717.db2.gz FFNSCCSEILUPRI-VIFPVBQESA-N -1 0 315.307 -0.491 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])s1 ZINC000547886205 381502755 /nfs/dbraw/zinc/50/27/55/381502755.db2.gz RJQMVPSTZFQVJL-LURJTMIESA-N -1 0 323.348 -0.087 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-] ZINC000547889881 381502911 /nfs/dbraw/zinc/50/29/11/381502911.db2.gz SDWRAWJYQDFYEB-GJMOJQLCSA-N -1 0 311.381 -0.027 20 0 DBADRM CCN(C)S(=O)(=O)N[C@@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000547881559 381502921 /nfs/dbraw/zinc/50/29/21/381502921.db2.gz IRRJRXMDMNIYMO-JTQLQIEISA-N -1 0 304.372 -0.261 20 0 DBADRM C[C@H](CCC(=O)[O-])CNS(=O)(=O)CCCS(C)(=O)=O ZINC000547888679 381502934 /nfs/dbraw/zinc/50/29/34/381502934.db2.gz AROSHWSIXBDITE-SECBINFHSA-N -1 0 315.413 -0.159 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000548554196 381537036 /nfs/dbraw/zinc/53/70/36/381537036.db2.gz MGJBIICCFQVRPE-MWLCHTKSSA-N -1 0 319.383 -0.240 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-] ZINC000548553667 381537602 /nfs/dbraw/zinc/53/76/02/381537602.db2.gz IOMBNSLDUGFRGJ-JTQLQIEISA-N -1 0 306.340 -0.312 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)NC[C@@H](OC)C(=O)[O-] ZINC000548540258 381537952 /nfs/dbraw/zinc/53/79/52/381537952.db2.gz GLRANQCHHRAMDW-RXMQYKEDSA-N -1 0 324.336 -0.692 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cnn(CC(=O)OC)c1)C(=O)[O-] ZINC000548535797 381538016 /nfs/dbraw/zinc/53/80/16/381538016.db2.gz VBXXUZAEIXJBAD-QMMMGPOBSA-N -1 0 305.312 -0.802 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC000548560100 381538172 /nfs/dbraw/zinc/53/81/72/381538172.db2.gz QCCKGBBVRUFWSW-RKDXNWHRSA-N -1 0 311.356 -0.717 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)C[C@H]2CCCO2)C(=O)[O-])c1 ZINC000548537255 381538185 /nfs/dbraw/zinc/53/81/85/381538185.db2.gz PIFDRNDZBXRCQS-MNOVXSKESA-N -1 0 317.367 -0.257 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000548577255 381539128 /nfs/dbraw/zinc/53/91/28/381539128.db2.gz ORZJSBMKFUTLEY-ZYHUDNBSSA-N -1 0 306.384 -0.004 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)C1 ZINC000548576862 381539690 /nfs/dbraw/zinc/53/96/90/381539690.db2.gz RFDOMUDWJXAGRF-OPRDCNLKSA-N -1 0 319.383 -0.777 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000548770804 381549977 /nfs/dbraw/zinc/54/99/77/381549977.db2.gz COXCUMXVQMILAZ-NSHDSACASA-N -1 0 301.324 -0.506 20 0 DBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)N1CCCCC1 ZINC000548256986 381521417 /nfs/dbraw/zinc/52/14/17/381521417.db2.gz ODZLVPTUFLKNFS-LZVRBXCZSA-N -1 0 310.397 -0.765 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000548256697 381521686 /nfs/dbraw/zinc/52/16/86/381521686.db2.gz DZNDWTFKMIVXEX-OOSSNNJISA-N -1 0 310.397 -0.767 20 0 DBADRM CCN(C)S(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000548251646 381521931 /nfs/dbraw/zinc/52/19/31/381521931.db2.gz BFPMJXDYJYPVDR-VHSXEESVSA-N -1 0 319.383 -0.810 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C1CC1 ZINC000548262623 381523312 /nfs/dbraw/zinc/52/33/12/381523312.db2.gz OSSANSAYJUQMCW-KOLCDFICSA-N -1 0 315.351 -0.014 20 0 DBADRM CC(C)[C@H](CNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000548269008 381523871 /nfs/dbraw/zinc/52/38/71/381523871.db2.gz YWASYPQXCBXIPB-VIFPVBQESA-N -1 0 315.413 -0.303 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-] ZINC000548268993 381524367 /nfs/dbraw/zinc/52/43/67/381524367.db2.gz YTLZZBSAQDZKMP-WCBMZHEXSA-N -1 0 317.367 -0.135 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCOC1)NS(=O)(=O)C[C@@H]1CCCO1 ZINC000548528552 381535955 /nfs/dbraw/zinc/53/59/55/381535955.db2.gz CHKVHUDNHXLLDE-VWYCJHECSA-N -1 0 307.368 -0.035 20 0 DBADRM COCCS(=O)(=O)N[C@@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000548535729 381536008 /nfs/dbraw/zinc/53/60/08/381536008.db2.gz YNCDOWOKYIMAOM-JTQLQIEISA-N -1 0 305.356 -0.481 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000551316697 381580724 /nfs/dbraw/zinc/58/07/24/381580724.db2.gz KZJWPTUZJYYZHY-SNVBAGLBSA-N -1 0 314.319 -0.740 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c[nH]1 ZINC000551314738 381581606 /nfs/dbraw/zinc/58/16/06/381581606.db2.gz GUDONFVNODXHTP-SECBINFHSA-N -1 0 318.307 -0.725 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000627273921 381553967 /nfs/dbraw/zinc/55/39/67/381553967.db2.gz MIYKNHUYMPMHDW-NXEZZACHSA-N -1 0 313.354 -0.850 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-] ZINC000549021512 381558253 /nfs/dbraw/zinc/55/82/53/381558253.db2.gz GODQDVCTNLRSIR-SSDOTTSWSA-N -1 0 303.292 -0.207 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCC(C)(C)O)CC[C@@H]1C(=O)[O-] ZINC000627274892 381571390 /nfs/dbraw/zinc/57/13/90/381571390.db2.gz ZQZLBWSTDFWYBZ-UWVGGRQHSA-N -1 0 300.355 -0.167 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000250656427 381605068 /nfs/dbraw/zinc/60/50/68/381605068.db2.gz BPPXUHRJZMDELM-UWVGGRQHSA-N -1 0 322.383 -0.183 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000252632163 381613943 /nfs/dbraw/zinc/61/39/43/381613943.db2.gz BPVCXMQNUYKKFB-ZRUFSTJUSA-N -1 0 304.368 -0.041 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](C)CC(=O)[O-])C1 ZINC000252431957 381614145 /nfs/dbraw/zinc/61/41/45/381614145.db2.gz SVSZXECNKJUBLJ-NXEZZACHSA-N -1 0 322.383 -0.041 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000630868481 381623889 /nfs/dbraw/zinc/62/38/89/381623889.db2.gz OYQVARRAWZMSIS-SECBINFHSA-N -1 0 310.383 -0.344 20 0 DBADRM O=C([O-])Cn1cc(CNC(=O)[C@@H]2Cc3ccccc3O2)nn1 ZINC000262365463 381625690 /nfs/dbraw/zinc/62/56/90/381625690.db2.gz WUZJXCVQPYLFRZ-LBPRGKRZSA-N -1 0 302.290 -0.017 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)Cn1nc2ccccn2c1=O)C1CC1 ZINC000262579900 381630240 /nfs/dbraw/zinc/63/02/40/381630240.db2.gz FJESMKDMVPECJL-VIFPVBQESA-N -1 0 304.306 -0.040 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000566300942 381649507 /nfs/dbraw/zinc/64/95/07/381649507.db2.gz PIDCMRRRXSSDCH-MRVPVSSYSA-N -1 0 307.306 -0.049 20 0 DBADRM CC(=O)N(C)CC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000566287775 381649788 /nfs/dbraw/zinc/64/97/88/381649788.db2.gz PEFGGCIPOYNCTI-SNVBAGLBSA-N -1 0 309.326 -0.382 20 0 DBADRM Cc1ncc(S(=O)(=O)NC[C@@H]2COCCO2)cc1C(=O)[O-] ZINC000566180360 381639974 /nfs/dbraw/zinc/63/99/74/381639974.db2.gz FUBIMPWNXUNZPA-SECBINFHSA-N -1 0 316.335 -0.218 20 0 DBADRM COc1ccnc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC000566178267 381640269 /nfs/dbraw/zinc/64/02/69/381640269.db2.gz XZOITOINUZQBON-QMMMGPOBSA-N -1 0 316.339 -0.631 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-]c1ccn(CC(N)=O)n1)C1CC1 ZINC000566229469 381644155 /nfs/dbraw/zinc/64/41/55/381644155.db2.gz SJRJQUWLHYPVLJ-VIFPVBQESA-N -1 0 302.356 -0.465 20 0 DBADRM CNS(=O)(=O)c1ccc(CNC(=O)[C@@H](C)C(=O)[O-])s1 ZINC000566212464 381644682 /nfs/dbraw/zinc/64/46/82/381644682.db2.gz VXKIYIJVZASNIX-ZCFIWIBFSA-N -1 0 306.365 -0.007 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)c1cnc(C(=O)[O-])cn1 ZINC000566223814 381645492 /nfs/dbraw/zinc/64/54/92/381645492.db2.gz LSPJDEAQWNQFAE-ZETCQYMHSA-N -1 0 301.324 -0.272 20 0 DBADRM COC(=O)Cc1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1 ZINC000566490186 381660244 /nfs/dbraw/zinc/66/02/44/381660244.db2.gz HDHSVTBXAFMMMF-SNVBAGLBSA-N -1 0 317.319 -0.874 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])co1 ZINC000566973894 381674862 /nfs/dbraw/zinc/67/48/62/381674862.db2.gz PJCYNCJUQZIBIQ-ZETCQYMHSA-N -1 0 304.324 -0.020 20 0 DBADRM C[C@@](CO)(CNS(=O)(=O)CCOC(F)(F)F)CC(=O)[O-] ZINC000566907697 381676021 /nfs/dbraw/zinc/67/60/21/381676021.db2.gz LCYSPMYTXGJYQX-QMMMGPOBSA-N -1 0 323.289 -0.085 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)c1ccc2n[nH]nc2c1 ZINC000264521652 381679534 /nfs/dbraw/zinc/67/95/34/381679534.db2.gz GBVVSHYCKABTKF-UHFFFAOYSA-N -1 0 306.278 -0.254 20 0 DBADRM O=C([O-])c1noc2c1CN(S(=O)(=O)N1CCOCC1)CC2 ZINC000567198426 381684676 /nfs/dbraw/zinc/68/46/76/381684676.db2.gz MPYZGTGIHNKMMK-UHFFFAOYSA-N -1 0 317.323 -0.692 20 0 DBADRM C[C@H]1C[C@@H](S(=O)(=O)NCCC(=O)NCC(=O)[O-])CCO1 ZINC000567239593 381687980 /nfs/dbraw/zinc/68/79/80/381687980.db2.gz VYTVHOUGOSXROZ-IUCAKERBSA-N -1 0 308.356 -0.936 20 0 DBADRM O=C([O-])[C@@H]1COCCN1CCNS(=O)(=O)c1ccccc1 ZINC000567322412 381690171 /nfs/dbraw/zinc/69/01/71/381690171.db2.gz VTLDJDVXDXXXPQ-LBPRGKRZSA-N -1 0 314.363 -0.250 20 0 DBADRM C[C@H](C(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-])c1ccccn1 ZINC000567662525 381706161 /nfs/dbraw/zinc/70/61/61/381706161.db2.gz HPUGYWFLEOITIC-WPRPVWTQSA-N -1 0 317.305 -0.022 20 0 DBADRM CNC(=O)c1ccc(CN2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000567989555 381728544 /nfs/dbraw/zinc/72/85/44/381728544.db2.gz KBVJFZRLVKVQBG-UHFFFAOYSA-N -1 0 305.334 -0.225 20 0 DBADRM COC[C@](C)(CC(=O)OC)NC(=O)c1cnc(C(=O)[O-])cn1 ZINC000567988094 381729698 /nfs/dbraw/zinc/72/96/98/381729698.db2.gz UWMPQNUGLCPZPC-ZDUSSCGKSA-N -1 0 311.294 -0.127 20 0 DBADRM NC(=O)[C@]1([N-]S(=O)(=O)c2c(F)cccc2F)CCOC1 ZINC000568240480 381747022 /nfs/dbraw/zinc/74/70/22/381747022.db2.gz NYBMOIAVUJKALQ-NSHDSACASA-N -1 0 306.290 -0.113 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000569110206 381787108 /nfs/dbraw/zinc/78/71/08/381787108.db2.gz GKLRYLRQSPHWMJ-WCBMZHEXSA-N -1 0 302.356 -0.136 20 0 DBADRM Cc1c(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)cnn1C ZINC000569110104 381787584 /nfs/dbraw/zinc/78/75/84/381787584.db2.gz FFPNAHURRVSRKD-GXSJLCMTSA-N -1 0 317.367 -0.113 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000572761725 381800658 /nfs/dbraw/zinc/80/06/58/381800658.db2.gz CGDVPGNQEBSPJV-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000572812587 381800860 /nfs/dbraw/zinc/80/08/60/381800860.db2.gz QXPCNXDNKFTDEQ-WPRPVWTQSA-N -1 0 303.340 -0.436 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCNC(C)(C)C1 ZINC000572737362 381798607 /nfs/dbraw/zinc/79/86/07/381798607.db2.gz YITNTPIKPDXOOD-UHFFFAOYSA-N -1 0 316.383 -0.041 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)[C@H]1CCOC1)C(=O)[O-] ZINC000568470889 381761535 /nfs/dbraw/zinc/76/15/35/381761535.db2.gz QBRNLPIKKRJXNN-IUCAKERBSA-N -1 0 309.340 -0.509 20 0 DBADRM CO[C@@H](CNC(=O)c1ccc(-n2nnnc2C)cc1)C(=O)[O-] ZINC000568641995 381767757 /nfs/dbraw/zinc/76/77/57/381767757.db2.gz UZIPELHIPVLRCV-NSHDSACASA-N -1 0 305.294 -0.200 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC000568857574 381776749 /nfs/dbraw/zinc/77/67/49/381776749.db2.gz HYCQJMUHIGVCFQ-NSHDSACASA-N -1 0 303.340 -0.185 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2nc3c(cnn3C)c(N)n2)C1 ZINC000568868887 381777939 /nfs/dbraw/zinc/77/79/39/381777939.db2.gz AEBSOZQSJZFJOW-ZDUSSCGKSA-N -1 0 306.326 -0.127 20 0 DBADRM O=C([O-])Cn1cc(CNS(=O)(=O)c2ccc(F)cc2)nn1 ZINC000167257428 381821713 /nfs/dbraw/zinc/82/17/13/381821713.db2.gz KYPUBAUBVDSOQA-UHFFFAOYSA-N -1 0 314.298 -0.020 20 0 DBADRM O=C([O-])Cn1cc(CNS(=O)(=O)N2CCCCC2)nn1 ZINC000167254796 381821763 /nfs/dbraw/zinc/82/17/63/381821763.db2.gz OWQQIRVXOOUCRE-UHFFFAOYSA-N -1 0 303.344 -0.817 20 0 DBADRM O=C([O-])CSCC(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000573721795 381839201 /nfs/dbraw/zinc/83/92/01/381839201.db2.gz DDTJMXHKXKMTPP-UHFFFAOYSA-N -1 0 324.362 -0.226 20 0 DBADRM COCCN(C)S(=O)(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000573798067 381841344 /nfs/dbraw/zinc/84/13/44/381841344.db2.gz CVRCCWKMOQZNQC-NSHDSACASA-N -1 0 324.399 -0.235 20 0 DBADRM O=C([O-])[C@@H]1c2cccn2CCN1S(=O)(=O)N1CCOCC1 ZINC000572953876 381808341 /nfs/dbraw/zinc/80/83/41/381808341.db2.gz ZMLQFNNAFUINGZ-NSHDSACASA-N -1 0 315.351 -0.494 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cn1 ZINC000572993208 381809122 /nfs/dbraw/zinc/80/91/22/381809122.db2.gz SIHQTFCJBWUKGO-KYZUINATSA-N -1 0 303.340 -0.329 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cs1 ZINC000573105020 381814206 /nfs/dbraw/zinc/81/42/06/381814206.db2.gz RPJNQBKPFHEZBA-KBTIHESUSA-N -1 0 304.349 -0.012 20 0 DBADRM C[C@H](C(=O)Nc1ncccn1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000573123778 381815031 /nfs/dbraw/zinc/81/50/31/381815031.db2.gz OANRKKWPDOVMBZ-SECBINFHSA-N -1 0 307.310 -0.968 20 0 DBADRM COC(=O)[C@H](NC(=O)c1n[nH]c(=O)[n-]1)[C@H]1CCC[C@H](OC)C1 ZINC000574885540 381882172 /nfs/dbraw/zinc/88/21/72/381882172.db2.gz IAOKTGIZJCWHBW-XHNCKOQMSA-N -1 0 312.326 -0.013 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccon2)C1 ZINC000575053311 381882578 /nfs/dbraw/zinc/88/25/78/381882578.db2.gz GSJTWYBVXVKPJM-LLVKDONJSA-N -1 0 304.324 -0.073 20 0 DBADRM Cc1c(C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)nnn1C ZINC000573982543 381847143 /nfs/dbraw/zinc/84/71/43/381847143.db2.gz QNGQYTLDFVKYCZ-KOLCDFICSA-N -1 0 323.353 -0.437 20 0 DBADRM C[C@@H]1CCN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C[C@H]1C(=O)[O-] ZINC000574154359 381853830 /nfs/dbraw/zinc/85/38/30/381853830.db2.gz FLAHRXZHJVZKNM-LMLFDSFASA-N -1 0 313.354 -0.229 20 0 DBADRM NS(=O)(=O)c1ccc(N2C[C@@H](O)C3(CC3)C2)c(C(=O)[O-])c1 ZINC000574328607 381860459 /nfs/dbraw/zinc/86/04/59/381860459.db2.gz SJPJCGMVFGHHPU-LLVKDONJSA-N -1 0 312.347 -0.007 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)[C@H]1CO ZINC000574400115 381863168 /nfs/dbraw/zinc/86/31/68/381863168.db2.gz MZEHDJILCKPBHL-KXNHARMFSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000574456827 381864977 /nfs/dbraw/zinc/86/49/77/381864977.db2.gz DKLVCXZMTOWZBI-SECBINFHSA-N -1 0 312.347 -0.177 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CC(=O)N1 ZINC000574695230 381874273 /nfs/dbraw/zinc/87/42/73/381874273.db2.gz FTFOQYHLNAHJHU-VIFPVBQESA-N -1 0 312.347 -0.177 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CC(=O)N1 ZINC000574695229 381874646 /nfs/dbraw/zinc/87/46/46/381874646.db2.gz FTFOQYHLNAHJHU-SECBINFHSA-N -1 0 312.347 -0.177 20 0 DBADRM Cc1noc(CCNS(=O)(=O)c2cncc(C(=O)[O-])c2)n1 ZINC000575800084 381898318 /nfs/dbraw/zinc/89/83/18/381898318.db2.gz GSULWGQAOAXQKG-UHFFFAOYSA-N -1 0 312.307 -0.008 20 0 DBADRM Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCC(=O)[O-] ZINC000575868130 381900796 /nfs/dbraw/zinc/90/07/96/381900796.db2.gz RPMYOTXYCZXYNT-UHFFFAOYSA-N -1 0 319.321 -0.422 20 0 DBADRM Cc1ccncc1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000575920123 381905658 /nfs/dbraw/zinc/90/56/58/381905658.db2.gz LGMVTUAZWMSFAD-UHFFFAOYSA-N -1 0 311.323 -0.455 20 0 DBADRM O=S(=O)(NC[C@@H]1CS(=O)(=O)CCO1)c1cscn1 ZINC000576104354 381910787 /nfs/dbraw/zinc/91/07/87/381910787.db2.gz CPJCCAXQFNCSTR-SSDOTTSWSA-N -1 0 312.394 -0.765 20 0 DBADRM O=S(=O)(NC[C@H]1CS(=O)(=O)CCO1)c1cscn1 ZINC000576104355 381912086 /nfs/dbraw/zinc/91/20/86/381912086.db2.gz CPJCCAXQFNCSTR-ZETCQYMHSA-N -1 0 312.394 -0.765 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000576240663 381918571 /nfs/dbraw/zinc/91/85/71/381918571.db2.gz DYRICXPDZBNVCE-KOLCDFICSA-N -1 0 317.367 -0.251 20 0 DBADRM CCO[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])[C@H]1OC ZINC000576343789 381920343 /nfs/dbraw/zinc/92/03/43/381920343.db2.gz HNVIYYQJGWTSKK-UKKRHICBSA-N -1 0 322.383 -0.438 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCn2cccc2[C@@H]1C(=O)[O-] ZINC000576512407 381926967 /nfs/dbraw/zinc/92/69/67/381926967.db2.gz UBFDICSBHFOXMK-LLVKDONJSA-N -1 0 317.367 -0.248 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1)C(=O)[O-] ZINC000577729762 381973169 /nfs/dbraw/zinc/97/31/69/381973169.db2.gz ZZZRVNCXPVUGCC-MRVPVSSYSA-N -1 0 311.294 -0.270 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000577572112 381965264 /nfs/dbraw/zinc/96/52/64/381965264.db2.gz YRXHLLBZKAGEHN-HOSYDEDBSA-N -1 0 307.368 -0.226 20 0 DBADRM CS(=O)(=O)Nc1cccc(CNC(=O)NCC(=O)[O-])c1 ZINC000577527926 381966294 /nfs/dbraw/zinc/96/62/94/381966294.db2.gz RJQRQYFSJCRTDF-UHFFFAOYSA-N -1 0 301.324 -0.058 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)[C@@H]1CCO[C@H](C)C1)C(=O)[O-] ZINC000577639772 381968243 /nfs/dbraw/zinc/96/82/43/381968243.db2.gz SVTNSWYYIYMLHV-HLTSFMKQSA-N -1 0 309.340 -0.510 20 0 DBADRM CCN(CC(N)=O)S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000576639796 381932397 /nfs/dbraw/zinc/93/23/97/381932397.db2.gz ARJGAEFKXXNWCA-UHFFFAOYSA-N -1 0 300.336 -0.190 20 0 DBADRM Cc1ncc(S(=O)(=O)NCc2nncn2C)cc1C(=O)[O-] ZINC000576751856 381934092 /nfs/dbraw/zinc/93/40/92/381934092.db2.gz QBQOSKKVZZTXPS-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C2(C(=O)[O-])CCCC2)C1 ZINC000577755780 381972071 /nfs/dbraw/zinc/97/20/71/381972071.db2.gz FVYVMIBEABJSPG-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C2(C(=O)[O-])CCCC2)C1 ZINC000577755779 381972129 /nfs/dbraw/zinc/97/21/29/381972129.db2.gz FVYVMIBEABJSPG-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2CCO[C@H](CO)C2)c1 ZINC000576822677 381937439 /nfs/dbraw/zinc/93/74/39/381937439.db2.gz HGHZITJNCBYOAW-NSHDSACASA-N -1 0 308.290 -0.457 20 0 DBADRM COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC000576994132 381943633 /nfs/dbraw/zinc/94/36/33/381943633.db2.gz KOGYIUZHIGZNNS-VHSXEESVSA-N -1 0 309.278 -0.687 20 0 DBADRM Cc1oc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000577060192 381945989 /nfs/dbraw/zinc/94/59/89/381945989.db2.gz LOBXRUIPMFNHIN-ZETCQYMHSA-N -1 0 323.348 -0.248 20 0 DBADRM CC(C)(NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-] ZINC000580635229 381950535 /nfs/dbraw/zinc/95/05/35/381950535.db2.gz YYVFKOLAUGTFHV-MRVPVSSYSA-N -1 0 303.340 -0.014 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000578132144 381996275 /nfs/dbraw/zinc/99/62/75/381996275.db2.gz PLNMAMDVDLSNSK-NXEZZACHSA-N -1 0 306.384 -0.259 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000578237343 382005722 /nfs/dbraw/zinc/00/57/22/382005722.db2.gz JHKBNBGAGDZGCB-GXSJLCMTSA-N -1 0 313.354 -0.850 20 0 DBADRM O=C(c1cccnc1)N1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000631770323 382007981 /nfs/dbraw/zinc/00/79/81/382007981.db2.gz AKOAPMPPCBRINW-UHFFFAOYSA-N -1 0 321.362 -0.049 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc2nc(C)nn2c1)C(=O)[O-] ZINC000578358757 382013996 /nfs/dbraw/zinc/01/39/96/382013996.db2.gz IVVAVQNQGCXJIE-SECBINFHSA-N -1 0 305.294 -0.044 20 0 DBADRM CSc1c[nH]nc1[N-]S(=O)(=O)CCCS(N)(=O)=O ZINC000349451417 381987543 /nfs/dbraw/zinc/98/75/43/381987543.db2.gz NGVKCJHXFWAJQU-UHFFFAOYSA-N -1 0 314.414 -0.448 20 0 DBADRM CC(C)NS(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1 ZINC000349601201 381989600 /nfs/dbraw/zinc/98/96/00/381989600.db2.gz JKBJRIKAUQKAIK-UHFFFAOYSA-N -1 0 310.401 -0.131 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC000578070792 381990008 /nfs/dbraw/zinc/99/00/08/381990008.db2.gz JNXURMHGPRPQRV-YTWAJWBKSA-N -1 0 307.368 -0.085 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000578070300 381990142 /nfs/dbraw/zinc/99/01/42/381990142.db2.gz ORZWXRVEHZPLGV-SNVBAGLBSA-N -1 0 321.337 -0.578 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-] ZINC000578981902 382042818 /nfs/dbraw/zinc/04/28/18/382042818.db2.gz UUKBVTHEPDKJPE-SECBINFHSA-N -1 0 309.340 -0.651 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000579005284 382046658 /nfs/dbraw/zinc/04/66/58/382046658.db2.gz UKGNEWOLILKJCR-VHSXEESVSA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000579005281 382046988 /nfs/dbraw/zinc/04/69/88/382046988.db2.gz UKGNEWOLILKJCR-NXEZZACHSA-N -1 0 306.384 -0.115 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCOC[C@]23CCOC3)c[nH]1 ZINC000579194152 382054336 /nfs/dbraw/zinc/05/43/36/382054336.db2.gz XRDULSJNXQFRDW-GFCCVEGCSA-N -1 0 316.335 -0.107 20 0 DBADRM CCS(=O)(=O)N1CCN(c2ncncc2C(=O)[O-])CC1 ZINC000578537086 382021918 /nfs/dbraw/zinc/02/19/18/382021918.db2.gz VOXFZYFYZYNEJB-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000578626495 382026488 /nfs/dbraw/zinc/02/64/88/382026488.db2.gz RPKOPDISIKCPNQ-KWQFWETISA-N -1 0 319.317 -0.036 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-] ZINC000579442151 382067859 /nfs/dbraw/zinc/06/78/59/382067859.db2.gz LPOQCUYDMFYHRD-MRVPVSSYSA-N -1 0 303.340 -0.029 20 0 DBADRM CCN1CCOC[C@H]1C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000578895718 382039493 /nfs/dbraw/zinc/03/94/93/382039493.db2.gz NLVSKRXMIPQELT-NSHDSACASA-N -1 0 309.370 -0.063 20 0 DBADRM CCCN(C(=O)NCCCS(C)(=O)=O)[C@H](COC)C(=O)[O-] ZINC000580767537 382112251 /nfs/dbraw/zinc/11/22/51/382112251.db2.gz ZIGLXPUMBXZIKF-SNVBAGLBSA-N -1 0 324.399 -0.058 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCOCC3(CC3)C2)C1 ZINC000580827677 382115093 /nfs/dbraw/zinc/11/50/93/382115093.db2.gz CVULTJBLYDDZAK-LLVKDONJSA-N -1 0 310.350 -0.051 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC000579597111 382078226 /nfs/dbraw/zinc/07/82/26/382078226.db2.gz YKOJNOYGRAAEDN-MNOVXSKESA-N -1 0 309.370 -0.063 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000579668329 382083345 /nfs/dbraw/zinc/08/33/45/382083345.db2.gz ZDNTXGBUFQKOOH-ONGXEEELSA-N -1 0 311.342 -0.154 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCCCC(=O)[O-] ZINC000579709034 382088244 /nfs/dbraw/zinc/08/82/44/382088244.db2.gz MJUJINZVXCIDGL-IUCAKERBSA-N -1 0 317.342 -0.393 20 0 DBADRM Cc1nc(N2CCO[C@@H](C(=O)[O-])C2)sc1S(N)(=O)=O ZINC000581886637 382181202 /nfs/dbraw/zinc/18/12/02/382181202.db2.gz MMKLKZZAKZUCGO-ZCFIWIBFSA-N -1 0 307.353 -0.611 20 0 DBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000581074522 382129705 /nfs/dbraw/zinc/12/97/05/382129705.db2.gz OMGCKSZTADFABS-UTINFBMNSA-N -1 0 301.295 -0.857 20 0 DBADRM CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000581129047 382132123 /nfs/dbraw/zinc/13/21/23/382132123.db2.gz JUNLMLJIORVAAZ-MRVPVSSYSA-N -1 0 323.348 -0.215 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000581168156 382133443 /nfs/dbraw/zinc/13/34/43/382133443.db2.gz CRBWLZWXSCEKAL-MXWKQRLJSA-N -1 0 306.384 -0.127 20 0 DBADRM NS(=O)(=O)c1cccnc1N1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC000581255119 382138295 /nfs/dbraw/zinc/13/82/95/382138295.db2.gz WHHNNWZEKINGDZ-UHFFFAOYSA-N -1 0 323.334 -0.287 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000380988473 382139572 /nfs/dbraw/zinc/13/95/72/382139572.db2.gz FZYFKRHOUIYLAJ-NSHDSACASA-N -1 0 305.356 -0.195 20 0 DBADRM COC[C@](C)(NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000381061893 382141697 /nfs/dbraw/zinc/14/16/97/382141697.db2.gz NQHCNKKZFFWROE-KKZNHRDASA-N -1 0 310.372 -0.580 20 0 DBADRM O=C([O-])[C@@H](NC(=O)NCC1CCS(=O)(=O)CC1)C1CC1 ZINC000581407605 382144982 /nfs/dbraw/zinc/14/49/82/382144982.db2.gz VISYKBSJZIEKIC-JTQLQIEISA-N -1 0 304.368 -0.026 20 0 DBADRM CC(C)(C)CS(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000581433196 382146170 /nfs/dbraw/zinc/14/61/70/382146170.db2.gz YTTXPKQKABJOEP-QMMMGPOBSA-N -1 0 313.397 -0.454 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC000581440440 382150015 /nfs/dbraw/zinc/15/00/15/382150015.db2.gz HGDAQGJPXQNMPM-UWVGGRQHSA-N -1 0 307.368 -0.098 20 0 DBADRM COCCN1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1=O ZINC000581488619 382151610 /nfs/dbraw/zinc/15/16/10/382151610.db2.gz QNVNIPDZKBAICB-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM Cn1c(N2CCO[C@H](CC(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000581551182 382157741 /nfs/dbraw/zinc/15/77/41/382157741.db2.gz DRWHVSQYYZMZKY-SSDOTTSWSA-N -1 0 323.309 -0.948 20 0 DBADRM Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])C2 ZINC000581608088 382161046 /nfs/dbraw/zinc/16/10/46/382161046.db2.gz KHIUQJNMTKXWNK-LLVKDONJSA-N -1 0 320.349 -0.260 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)CCn2ncn(C)c2=O)s[n-]1 ZINC000581618053 382163468 /nfs/dbraw/zinc/16/34/68/382163468.db2.gz OQQITBCGQVWOID-SSDOTTSWSA-N -1 0 312.355 -0.409 20 0 DBADRM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CC(O)(CO)C1 ZINC000615429886 382164850 /nfs/dbraw/zinc/16/48/50/382164850.db2.gz RCIKLJAJZHJIRP-UHFFFAOYSA-N -1 0 307.281 -0.104 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[C@H]2C(=O)[O-])C1 ZINC000384565538 382167806 /nfs/dbraw/zinc/16/78/06/382167806.db2.gz JUAHICSMZKTAGO-ZJUUUORDSA-N -1 0 320.367 -0.335 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC(CC(=O)[O-])CC1 ZINC000581669759 382167866 /nfs/dbraw/zinc/16/78/66/382167866.db2.gz GGFLGOXKUZIJMB-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCC1(N2CCOCC2)CC1 ZINC000581685870 382171414 /nfs/dbraw/zinc/17/14/14/382171414.db2.gz SLFCTIYDSQAMTK-UHFFFAOYSA-N -1 0 313.383 -0.417 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000581726912 382173236 /nfs/dbraw/zinc/17/32/36/382173236.db2.gz QPVVEARDNFQPIW-GMTAPVOTSA-N -1 0 323.353 -0.648 20 0 DBADRM CC[C@H](CO)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000615471025 382201411 /nfs/dbraw/zinc/20/14/11/382201411.db2.gz TZMBBPZKTVWNOL-MRVPVSSYSA-N -1 0 302.352 -0.118 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000582006492 382211464 /nfs/dbraw/zinc/21/14/64/382211464.db2.gz LGWVUPCREYPEKN-JTQLQIEISA-N -1 0 306.384 -0.163 20 0 DBADRM Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000582003661 382211623 /nfs/dbraw/zinc/21/16/23/382211623.db2.gz SDQMWURXCIZHKD-SNVBAGLBSA-N -1 0 308.338 -0.283 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC[C@@H](n1cccn1)C(F)(F)F ZINC000627277670 382213202 /nfs/dbraw/zinc/21/32/02/382213202.db2.gz SRLKJMIQOFGCBC-SSDOTTSWSA-N -1 0 322.243 -0.306 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CC[C@@H]1C(=O)[O-] ZINC000627279597 382215192 /nfs/dbraw/zinc/21/51/92/382215192.db2.gz PYRGJJZFCHUFDG-MJDLHHQISA-N -1 0 310.350 -0.008 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](CCF)C2)C1 ZINC000627278507 382215335 /nfs/dbraw/zinc/21/53/35/382215335.db2.gz RWWCCNVUYIWBGZ-VWYCJHECSA-N -1 0 316.329 -0.057 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCO[C@H](CCF)C2)CCC1 ZINC000627280364 382216184 /nfs/dbraw/zinc/21/61/84/382216184.db2.gz GANLCZAEYVVBBQ-SNVBAGLBSA-N -1 0 316.329 -0.056 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCOC[C@@H](O)C1 ZINC000615676194 382225748 /nfs/dbraw/zinc/22/57/48/382225748.db2.gz MPNNJXLSNWXBJB-NSHDSACASA-N -1 0 305.290 -0.137 20 0 DBADRM CO[N-]C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000017821667 382188839 /nfs/dbraw/zinc/18/88/39/382188839.db2.gz FCGMQCDYLCABJA-UHFFFAOYSA-N -1 0 315.351 -0.057 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)C[C@@H](C)O1 ZINC000386515371 382191903 /nfs/dbraw/zinc/19/19/03/382191903.db2.gz WQSWJEZWFSCIRZ-NXEZZACHSA-N -1 0 322.383 -0.748 20 0 DBADRM COC[C@@H]1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000081043422 382285919 /nfs/dbraw/zinc/28/59/19/382285919.db2.gz SQKONKMSBBSJML-MNOVXSKESA-N -1 0 306.384 -0.004 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC23CC3)CCO1 ZINC000627284763 382245924 /nfs/dbraw/zinc/24/59/24/382245924.db2.gz IXRATCOCCQSSOP-MNOVXSKESA-N -1 0 310.350 -0.005 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ccc[nH]c2=O)C1 ZINC000627285309 382246504 /nfs/dbraw/zinc/24/65/04/382246504.db2.gz YRHPQUHKWXZJBQ-ONGXEEELSA-N -1 0 321.333 -0.027 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCCn2cncn2)C1 ZINC000627286321 382253407 /nfs/dbraw/zinc/25/34/07/382253407.db2.gz JSPWWIIIJNAGTK-QWRGUYRKSA-N -1 0 323.353 -0.646 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)c1[O-] ZINC000615937202 382303965 /nfs/dbraw/zinc/30/39/65/382303965.db2.gz DYECFHAXLOICRS-QMMMGPOBSA-N -1 0 317.371 -0.788 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)c1[O-] ZINC000615937201 382304203 /nfs/dbraw/zinc/30/42/03/382304203.db2.gz DYECFHAXLOICRS-MRVPVSSYSA-N -1 0 317.371 -0.788 20 0 DBADRM CCOC(=O)c1nc(NC(=O)[C@H](C)NS(C)(=O)=O)c[nH]1 ZINC000617875935 382345694 /nfs/dbraw/zinc/34/56/94/382345694.db2.gz AOPFLLZKJGHNCR-LURJTMIESA-N -1 0 304.328 -0.537 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000090262666 382335293 /nfs/dbraw/zinc/33/52/93/382335293.db2.gz RNOIMYHCWBZSMW-SECBINFHSA-N -1 0 317.319 -0.428 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-])nc1C ZINC000214222467 382340347 /nfs/dbraw/zinc/34/03/47/382340347.db2.gz JPGXQGWOIRTPMB-MRVPVSSYSA-N -1 0 319.339 -0.494 20 0 DBADRM CC(C)Cc1nc(=NC(=O)c2cn(CC(N)=O)nn2)s[n-]1 ZINC000618347740 382358485 /nfs/dbraw/zinc/35/84/85/382358485.db2.gz QECJGSNMOVVZLC-UHFFFAOYSA-N -1 0 309.355 -0.512 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cc(=O)n(C)[n-]3)C[C@H]21 ZINC000619220601 382381943 /nfs/dbraw/zinc/38/19/43/382381943.db2.gz HEEMWCFYXMHCSI-SFGNSQDASA-N -1 0 315.351 -0.990 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000619708975 382421766 /nfs/dbraw/zinc/42/17/66/382421766.db2.gz HZKJMOGRJXWCFK-UHFFFAOYSA-N -1 0 323.367 -0.117 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000620823536 382456625 /nfs/dbraw/zinc/45/66/25/382456625.db2.gz CZVBQBFNXWAQMX-NWDGAFQWSA-N -1 0 310.350 -0.029 20 0 DBADRM O=C(CCN1C(=O)c2ccccc2C1=O)NCc1nnn[n-]1 ZINC000074803865 382457350 /nfs/dbraw/zinc/45/73/50/382457350.db2.gz YJHRNTXDRQJRKL-UHFFFAOYSA-N -1 0 300.278 -0.498 20 0 DBADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])nc1)NS(C)(=O)=O ZINC000111775212 382469109 /nfs/dbraw/zinc/46/91/09/382469109.db2.gz GXSRCZSXILOEAC-UHFFFAOYSA-N -1 0 315.351 -0.163 20 0 DBADRM CN(CC(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC000621614770 382492656 /nfs/dbraw/zinc/49/26/56/382492656.db2.gz TUKYSTCGSMZYSE-GWCFXTLKSA-N -1 0 318.395 -0.019 20 0 DBADRM CN1CC[C@H](C(=O)N2CCSC[C@@H](C(=O)[O-])C2)S1(=O)=O ZINC000621606748 382492715 /nfs/dbraw/zinc/49/27/15/382492715.db2.gz DBRFCWUVSIXTDM-DTWKUNHWSA-N -1 0 322.408 -0.704 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1ncc(C(=O)[O-])s1 ZINC000621611677 382492948 /nfs/dbraw/zinc/49/29/48/382492948.db2.gz JBCVTQBOGJUVMR-RITPCOANSA-N -1 0 319.364 -0.290 20 0 DBADRM C[C@H](NC(=O)CS(=O)(=O)N(C)C)c1ncc(C(=O)[O-])s1 ZINC000621612039 382492986 /nfs/dbraw/zinc/49/29/86/382492986.db2.gz QJEHRXXYALOMBP-LURJTMIESA-N -1 0 321.380 -0.090 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC000621607160 382493145 /nfs/dbraw/zinc/49/31/45/382493145.db2.gz NNPGBJPLIIYPLI-RKDXNWHRSA-N -1 0 307.393 -0.160 20 0 DBADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC000621558519 382489287 /nfs/dbraw/zinc/48/92/87/382489287.db2.gz IHCNYLTZLMEIDN-NSHDSACASA-N -1 0 310.331 -0.081 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NC2(CC(=O)[O-])CCCC2)nn1 ZINC000621565844 382489650 /nfs/dbraw/zinc/48/96/50/382489650.db2.gz NXFNSAURURSKGV-UHFFFAOYSA-N -1 0 323.353 -0.116 20 0 DBADRM O=C([O-])[C@H]1CCCCCN1C(=O)CN1CCCS1(=O)=O ZINC000621568036 382489704 /nfs/dbraw/zinc/48/97/04/382489704.db2.gz KHNRIPPXUQSKMK-SNVBAGLBSA-N -1 0 304.368 -0.122 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000621577030 382490551 /nfs/dbraw/zinc/49/05/51/382490551.db2.gz NGEUIAPZOJRGHY-AWEZNQCLSA-N -1 0 313.354 -0.515 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)NCC1(C(=O)[O-])CC1 ZINC000621572619 382490648 /nfs/dbraw/zinc/49/06/48/382490648.db2.gz RZYOCHCIQBKVRU-UHFFFAOYSA-N -1 0 322.383 -0.688 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C1CCCCC1 ZINC000621586285 382491547 /nfs/dbraw/zinc/49/15/47/382491547.db2.gz YATVOMOADYFSJZ-NXEZZACHSA-N -1 0 304.368 -0.172 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@H]1OC ZINC000621954018 382529141 /nfs/dbraw/zinc/52/91/41/382529141.db2.gz FGNBHXCUQRTYEH-HOSYDEDBSA-N -1 0 306.322 -0.055 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000312213850 382502153 /nfs/dbraw/zinc/50/21/53/382502153.db2.gz AIORSPBPXKRNIE-UHFFFAOYSA-N -1 0 304.299 -0.110 20 0 DBADRM CCn1cc(CCN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cn1 ZINC000621773776 382505602 /nfs/dbraw/zinc/50/56/02/382505602.db2.gz BMSCSUQQVZMSPF-LLVKDONJSA-N -1 0 301.368 -0.371 20 0 DBADRM C[C@@H]1CN(CCNC(=O)c2c[n-]n3c2nccc3=O)CCO1 ZINC000621821549 382509573 /nfs/dbraw/zinc/50/95/73/382509573.db2.gz XZBXGJUMUCKRPL-SNVBAGLBSA-N -1 0 305.338 -0.527 20 0 DBADRM C[C@H]1CN(CCNC(=O)c2c[n-]n3c2nccc3=O)CCO1 ZINC000621821548 382510163 /nfs/dbraw/zinc/51/01/63/382510163.db2.gz XZBXGJUMUCKRPL-JTQLQIEISA-N -1 0 305.338 -0.527 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)N3CC(C(=O)[O-])C3)C2=O)cn1 ZINC000621830410 382511628 /nfs/dbraw/zinc/51/16/28/382511628.db2.gz HSBWCIHVIOVGMO-JTQLQIEISA-N -1 0 307.310 -0.749 20 0 DBADRM Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N(C)CC(=O)[O-] ZINC000621833982 382512823 /nfs/dbraw/zinc/51/28/23/382512823.db2.gz OSKBMRUEFGPLCL-UHFFFAOYSA-N -1 0 315.351 -0.132 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CC2(F)F)CCO1 ZINC000621836593 382513731 /nfs/dbraw/zinc/51/37/31/382513731.db2.gz MTTJNRWCTZXJNZ-HTQZYQBOSA-N -1 0 306.265 -0.540 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC[C@H]2CC2(F)F)CCO1 ZINC000621836594 382513795 /nfs/dbraw/zinc/51/37/95/382513795.db2.gz MTTJNRWCTZXJNZ-JGVFFNPUSA-N -1 0 306.265 -0.540 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CC2(F)F)CCO1 ZINC000621836596 382514039 /nfs/dbraw/zinc/51/40/39/382514039.db2.gz MTTJNRWCTZXJNZ-YUMQZZPRSA-N -1 0 306.265 -0.540 20 0 DBADRM CC1(C)COCCN1CCNC(=O)c1c[n-]n2c1nccc2=O ZINC000621854481 382518770 /nfs/dbraw/zinc/51/87/70/382518770.db2.gz XMDSPMSSOAAQQV-UHFFFAOYSA-N -1 0 319.365 -0.137 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](CO)C1)C(=O)[O-] ZINC000622046105 382540576 /nfs/dbraw/zinc/54/05/76/382540576.db2.gz ISGGCKQZTHRJEN-MXWKQRLJSA-N -1 0 300.355 -0.358 20 0 DBADRM O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1c[n-]n2c1nccc2=O ZINC000622090456 382546137 /nfs/dbraw/zinc/54/61/37/382546137.db2.gz MGPLWRVERRZQBL-PHIMTYICSA-N -1 0 317.349 -0.384 20 0 DBADRM CC(C)(CN1CCOCC1)NC(=O)c1c[n-]n2c1nccc2=O ZINC000622124207 382549051 /nfs/dbraw/zinc/54/90/51/382549051.db2.gz COAUCNYNJKTMNU-UHFFFAOYSA-N -1 0 319.365 -0.137 20 0 DBADRM Cn1nc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)ccc1=O ZINC000622611843 382571622 /nfs/dbraw/zinc/57/16/22/382571622.db2.gz LUOJVJLRFBLJJJ-GFCCVEGCSA-N -1 0 311.305 -0.187 20 0 DBADRM CO[C@H](C)c1nc(=N[C@@H](CO)CN2CCOCC2)s[n-]1 ZINC000631306766 382647096 /nfs/dbraw/zinc/64/70/96/382647096.db2.gz IWRBCUOUOHFEJT-NXEZZACHSA-N -1 0 302.400 -0.228 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NC[C@H]2COCCN2C)cc1 ZINC000631404570 382647787 /nfs/dbraw/zinc/64/77/87/382647787.db2.gz WNORAAMHQIWIAL-ZDUSSCGKSA-N -1 0 318.381 -0.106 20 0 DBADRM CC(C)C1(S(=O)(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC000632188279 382663568 /nfs/dbraw/zinc/66/35/68/382663568.db2.gz NZWPVNKHFBWGGA-SECBINFHSA-N -1 0 301.368 -0.259 20 0 DBADRM CN1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)[C@H](CO)C1 ZINC000632576221 382674025 /nfs/dbraw/zinc/67/40/25/382674025.db2.gz LYYQSHFHQMNJAZ-JTQLQIEISA-N -1 0 304.343 -0.172 20 0 DBADRM CCN1CC[C@@H](NS(=O)(=O)c2cnn3c2OCCC3)C1=O ZINC000632611259 382675235 /nfs/dbraw/zinc/67/52/35/382675235.db2.gz AUPSYKOJLULHAS-SECBINFHSA-N -1 0 314.367 -0.435 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCc2c1cccc2F ZINC000632984860 382679701 /nfs/dbraw/zinc/67/97/01/382679701.db2.gz UGXLSCKSFZKDGP-UHFFFAOYSA-N -1 0 310.281 -0.068 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)[C@H]2CCOC2)C1 ZINC000633065050 382680615 /nfs/dbraw/zinc/68/06/15/382680615.db2.gz XONRAYHACKUBIN-IINYFYTJSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOC[C@H]2C)C1 ZINC000633065222 382680623 /nfs/dbraw/zinc/68/06/23/382680623.db2.gz CXTBOADZKKSLDR-QMTHXVAHSA-N -1 0 314.338 -0.817 20 0 DBADRM CN(CCCCCO)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000633066348 382680912 /nfs/dbraw/zinc/68/09/12/382680912.db2.gz IJIYTPHGKQSCEK-NSHDSACASA-N -1 0 300.355 -0.069 20 0 DBADRM C[C@]12COC[C@@H]1CN(C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)C2 ZINC000633069944 382680914 /nfs/dbraw/zinc/68/09/14/382680914.db2.gz SHOOPXKPOJACRJ-PGUXBMHVSA-N -1 0 310.350 -0.196 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC3CC2(C)C3)C1 ZINC000633068873 382680950 /nfs/dbraw/zinc/68/09/50/382680950.db2.gz AIKBOLHENMERPG-LBRDCAJSSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CC(=O)N(CCC(F)(F)F)C1 ZINC000633291783 382684949 /nfs/dbraw/zinc/68/49/49/382684949.db2.gz VFQXQNJPJDFGOZ-UHFFFAOYSA-N -1 0 306.248 -0.287 20 0 DBADRM CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)NC ZINC000627694626 382639847 /nfs/dbraw/zinc/63/98/47/382639847.db2.gz XNHGDBZBPFMNLP-VIFPVBQESA-N -1 0 314.367 -0.293 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000355301367 220604539 /nfs/dbraw/zinc/60/45/39/220604539.db2.gz BRNDABBEORXGLN-SECBINFHSA-N -1 0 313.397 -0.453 20 0 DBADRM CN1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1=O ZINC000355451338 220616975 /nfs/dbraw/zinc/61/69/75/220616975.db2.gz DCQOEUOOCKOOPG-UHFFFAOYSA-N -1 0 314.319 -0.430 20 0 DBADRM COCCN1C[C@H](C(=O)N(C)C[C@@H](C)c2nnn[n-]2)CC1=O ZINC000358384761 220760785 /nfs/dbraw/zinc/76/07/85/220760785.db2.gz TVLJKGYCJZAUSU-NXEZZACHSA-N -1 0 310.358 -0.744 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1 ZINC000358553648 220767981 /nfs/dbraw/zinc/76/79/81/220767981.db2.gz GCBRJNBFROBAGR-UHFFFAOYSA-N -1 0 310.339 -0.545 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)nn1 ZINC000263353505 304274413 /nfs/dbraw/zinc/27/44/13/304274413.db2.gz QPTATJSXFUSLNP-SCZZXKLOSA-N -1 0 307.310 -0.754 20 0 DBADRM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000447768535 533245394 /nfs/dbraw/zinc/24/53/94/533245394.db2.gz SGQUSZVMVZXTHJ-RQJHMYQMSA-N -1 0 316.326 -0.421 20 0 DBADRM COCCc1nc(=NCCCN2CCC[C@@H]2C(N)=O)s[n-]1 ZINC000444822885 533328632 /nfs/dbraw/zinc/32/86/32/533328632.db2.gz CHRLEJYXMKVWMT-SNVBAGLBSA-N -1 0 313.427 -0.099 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)N2C[C@H](C)OC[C@H]2C)CCOC1 ZINC000447185854 533634147 /nfs/dbraw/zinc/63/41/47/533634147.db2.gz ZWYBEFFVMTTYHX-SCVCMEIPSA-N -1 0 322.383 -0.738 20 0 DBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(C)CC(N)=O)c1F ZINC000273641560 130148510 /nfs/dbraw/zinc/14/85/10/130148510.db2.gz FHFRXQAUBBASKP-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C(N)=O)C1 ZINC000273650585 130149888 /nfs/dbraw/zinc/14/98/88/130149888.db2.gz GJWRJWWIPDUKOG-QMMMGPOBSA-N -1 0 318.307 -0.839 20 0 DBADRM NC(=O)COCCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000273861064 130177784 /nfs/dbraw/zinc/17/77/84/130177784.db2.gz ZEUBVAAMKANMNJ-UHFFFAOYSA-N -1 0 320.298 -0.696 20 0 DBADRM CNC(=O)C1CN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C1 ZINC000274422982 130233642 /nfs/dbraw/zinc/23/36/42/130233642.db2.gz YKZQFJLJJHLEME-UHFFFAOYSA-N -1 0 311.363 -0.124 20 0 DBADRM Cc1cccc(F)c1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000274745271 130257374 /nfs/dbraw/zinc/25/73/74/130257374.db2.gz MMSSZJCZBSIMCZ-UHFFFAOYSA-N -1 0 304.299 -0.387 20 0 DBADRM CCN(C)C(=O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000274855853 130267079 /nfs/dbraw/zinc/26/70/79/130267079.db2.gz QKDFYHNNYQGRQY-UHFFFAOYSA-N -1 0 319.321 -0.047 20 0 DBADRM Cc1cccc(CS(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000274901428 130272168 /nfs/dbraw/zinc/27/21/68/130272168.db2.gz IDHAAEIAYOSBTP-JTQLQIEISA-N -1 0 300.336 -0.257 20 0 DBADRM C[C@H](CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000274914680 130273741 /nfs/dbraw/zinc/27/37/41/130273741.db2.gz LKNLHAILTIIVDU-MRVPVSSYSA-N -1 0 312.347 -0.029 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)Cc1c(F)cccc1F)C(=O)[O-] ZINC000274912822 130273963 /nfs/dbraw/zinc/27/39/63/130273963.db2.gz LDSZFRNZJPMXTI-SECBINFHSA-N -1 0 322.289 -0.287 20 0 DBADRM CCc1ccc(CS(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1 ZINC000274977757 130279003 /nfs/dbraw/zinc/27/90/03/130279003.db2.gz XJNYARRNHRYHLC-NSHDSACASA-N -1 0 314.363 -0.003 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1cnn(CCOC)c1)C(=O)[O-] ZINC000275014027 130282044 /nfs/dbraw/zinc/28/20/44/130282044.db2.gz CFEOSGDHXNCQRF-JTQLQIEISA-N -1 0 321.355 -0.703 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)[C@H]1CCOC1)C(=O)[O-] ZINC000275026377 130285438 /nfs/dbraw/zinc/28/54/38/130285438.db2.gz DZRNIEPCOQDWTO-ONGXEEELSA-N -1 0 317.367 -0.129 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)C[C@H](C)C(=O)OC)C(=O)[O-] ZINC000275057802 130287847 /nfs/dbraw/zinc/28/78/47/130287847.db2.gz UFKTXFDRCLDRKT-CBAPKCEASA-N -1 0 309.340 -0.463 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000275060761 130287968 /nfs/dbraw/zinc/28/79/68/130287968.db2.gz JRNYRTOWCMNTKC-LURJTMIESA-N -1 0 311.747 -0.159 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-] ZINC000275079320 130289348 /nfs/dbraw/zinc/28/93/48/130289348.db2.gz MWBFVXISVYAFDH-ANLVUFKYSA-N -1 0 316.291 -0.767 20 0 DBADRM CN(C)S(=O)(=O)N[C@H](Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000275108559 130291550 /nfs/dbraw/zinc/29/15/50/130291550.db2.gz RQQRHVIVHPQYID-SECBINFHSA-N -1 0 316.335 -0.193 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000275108385 130291992 /nfs/dbraw/zinc/29/19/92/130291992.db2.gz ROXPPURLYFIQPM-MRVPVSSYSA-N -1 0 321.742 -0.268 20 0 DBADRM Cc1nc(C)c(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])s1 ZINC000275129202 130293454 /nfs/dbraw/zinc/29/34/54/130293454.db2.gz VDZDNXHHIBIFCE-ZETCQYMHSA-N -1 0 321.380 -0.243 20 0 DBADRM O=C([O-])C1CN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC000275124053 130293974 /nfs/dbraw/zinc/29/39/74/130293974.db2.gz MTISQZBVXFXCBJ-VIFPVBQESA-N -1 0 301.324 -0.450 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)Cc1noc2ccccc21 ZINC000275177572 130297163 /nfs/dbraw/zinc/29/71/63/130297163.db2.gz DANZECLSBOHZRA-VIFPVBQESA-N -1 0 300.292 -0.307 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)c1cccc2c1OCCO2 ZINC000275204974 130298459 /nfs/dbraw/zinc/29/84/59/130298459.db2.gz BQZCOESRDDHOGP-UHFFFAOYSA-N -1 0 317.319 -0.475 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275264878 130301092 /nfs/dbraw/zinc/30/10/92/130301092.db2.gz MPZBONPBAFZNTM-PSASIEDQSA-N -1 0 305.356 -0.630 20 0 DBADRM Cn1cc(C[C@@H](NS(=O)(=O)C[C@@H]2CCCO2)C(=O)[O-])cn1 ZINC000275265221 130301159 /nfs/dbraw/zinc/30/11/59/130301159.db2.gz MRPAMNCYONEFFB-WDEREUQCSA-N -1 0 317.367 -0.486 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000275298198 130301945 /nfs/dbraw/zinc/30/19/45/130301945.db2.gz QDPPNNVSBLSKQY-JTQLQIEISA-N -1 0 301.320 -0.265 20 0 DBADRM CCCN(C)S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275302738 130302003 /nfs/dbraw/zinc/30/20/03/130302003.db2.gz QPAXBDPBOBXMEU-SNVBAGLBSA-N -1 0 304.372 -0.408 20 0 DBADRM CCCN(C)S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275302729 130303167 /nfs/dbraw/zinc/30/31/67/130303167.db2.gz QPAXBDPBOBXMEU-JTQLQIEISA-N -1 0 304.372 -0.408 20 0 DBADRM COC(=O)c1c(F)cccc1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000275286315 130303255 /nfs/dbraw/zinc/30/32/55/130303255.db2.gz OVTHZLHPQQPHMQ-ZETCQYMHSA-N -1 0 321.282 -0.664 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])o1 ZINC000275340884 130305743 /nfs/dbraw/zinc/30/57/43/130305743.db2.gz RPTITOVPFAKNER-RNFRBKRXSA-N -1 0 319.291 -0.725 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1 ZINC000275335760 130306521 /nfs/dbraw/zinc/30/65/21/130306521.db2.gz RAWSFRVPUJGUAP-UHFFFAOYSA-N -1 0 316.335 -0.886 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cccc(N)c1)C(=O)[O-] ZINC000275375748 130309774 /nfs/dbraw/zinc/30/97/74/130309774.db2.gz ZEPKQEQMBCHDGU-SNVBAGLBSA-N -1 0 316.335 -0.047 20 0 DBADRM Cc1nc(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])s1 ZINC000275380375 130310615 /nfs/dbraw/zinc/31/06/15/130310615.db2.gz XNFWYAHTEPYIPO-SFYZADRCSA-N -1 0 306.365 -0.032 20 0 DBADRM CCC(=O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275503131 130326406 /nfs/dbraw/zinc/32/64/06/130326406.db2.gz ZSWLLGXQSZWZCP-UHFFFAOYSA-N -1 0 312.307 -0.307 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)O1 ZINC000276115832 130441574 /nfs/dbraw/zinc/44/15/74/130441574.db2.gz KWQRVXSWCLBCPR-PRJMDXOYSA-N -1 0 324.255 -0.102 20 0 DBADRM NC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])cc1 ZINC000507422276 391913581 /nfs/dbraw/zinc/91/35/81/391913581.db2.gz HSJLIPSTNINEHM-MNOVXSKESA-N -1 0 319.317 -0.049 20 0 DBADRM COC(=O)NCCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000308125678 391931551 /nfs/dbraw/zinc/93/15/51/391931551.db2.gz AJNKEDJNLLNVGO-UHFFFAOYSA-N -1 0 316.335 -0.052 20 0 DBADRM CCC[C@@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)c1nnn[n-]1 ZINC000648815424 391984161 /nfs/dbraw/zinc/98/41/61/391984161.db2.gz QFVPDNMILODDTF-SFYZADRCSA-N -1 0 302.360 -0.809 20 0 DBADRM CC[C@@](C)(NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400140671 391985847 /nfs/dbraw/zinc/98/58/47/391985847.db2.gz WMPDHMZZKDXHTI-JOYOIKCWSA-N -1 0 321.399 -0.037 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N[C@H](CC2CC2)C(=O)[O-])C1 ZINC000400215991 391987809 /nfs/dbraw/zinc/98/78/09/391987809.db2.gz WVYGXAWABZZOAN-VHSXEESVSA-N -1 0 319.383 -0.427 20 0 DBADRM CC[C@H](C)C[C@@H](CO)NC(=O)C(=O)N=c1nc2n([n-]1)CCCC2 ZINC000646815705 391946418 /nfs/dbraw/zinc/94/64/18/391946418.db2.gz SYDJAGXJOPVUSA-QWRGUYRKSA-N -1 0 323.397 -0.112 20 0 DBADRM CN1CC[C@@H](C(=O)NC2(c3nnn[n-]3)CCCC2)S1(=O)=O ZINC000648788680 391973570 /nfs/dbraw/zinc/97/35/70/391973570.db2.gz SCVJHCDKCUCARO-QMMMGPOBSA-N -1 0 314.371 -0.881 20 0 DBADRM Cc1nccn1CCCN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000649450061 392071011 /nfs/dbraw/zinc/07/10/11/392071011.db2.gz ICWPAQQYNARMRO-NSHDSACASA-N -1 0 301.368 -0.235 20 0 DBADRM C[C@H](Oc1cccnc1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000277743956 130636036 /nfs/dbraw/zinc/63/60/36/130636036.db2.gz UMTMOPBBKVWQOS-VIFPVBQESA-N -1 0 315.351 -0.569 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000649453137 392072980 /nfs/dbraw/zinc/07/29/80/392072980.db2.gz DFCILTLRIPVOCB-JLIMGVALSA-N -1 0 304.368 -0.459 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000649454759 392073370 /nfs/dbraw/zinc/07/33/70/392073370.db2.gz QUXKQXDRXKVXBS-IJLUTSLNSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCCN2C(=O)CNC2=O)nc1 ZINC000649454909 392073822 /nfs/dbraw/zinc/07/38/22/392073822.db2.gz HTPMTECHCQWPSV-UHFFFAOYSA-N -1 0 306.278 -0.549 20 0 DBADRM COc1ccc(-n2cc([O-])c(C(=O)N[C@@H](CO)C(N)=O)n2)cc1 ZINC000553308882 392079179 /nfs/dbraw/zinc/07/91/79/392079179.db2.gz AUJZAWGOZMTCOW-JTQLQIEISA-N -1 0 320.305 -0.838 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N[C@@H](CCF)C(=O)[O-])C1 ZINC000649530935 392087384 /nfs/dbraw/zinc/08/73/84/392087384.db2.gz POYCGINGRJGULM-SFYZADRCSA-N -1 0 311.335 -0.868 20 0 DBADRM CNC(=O)Cn1[nH]c(=NC(=O)NC2(CC(=O)[O-])CCC2)cc1C ZINC000649541675 392090078 /nfs/dbraw/zinc/09/00/78/392090078.db2.gz FPHHOAVWBRMAOV-UHFFFAOYSA-N -1 0 323.353 -0.122 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000649246649 392023250 /nfs/dbraw/zinc/02/32/50/392023250.db2.gz UAAHHSKRHXNGEQ-LDYMZIIASA-N -1 0 308.356 -0.984 20 0 DBADRM CN1CC[C@H](C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])S1(=O)=O ZINC000649250001 392023317 /nfs/dbraw/zinc/02/33/17/392023317.db2.gz YVWDLYRNVXXWIC-ZDCRXTMVSA-N -1 0 316.379 -0.268 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)S1(=O)=O ZINC000649248210 392023480 /nfs/dbraw/zinc/02/34/80/392023480.db2.gz LMRMAUVYYLCVHO-IVZWLZJFSA-N -1 0 320.367 -0.984 20 0 DBADRM CN1CC[C@H](C(=O)NC2(C(=O)[O-])CCSCC2)S1(=O)=O ZINC000649246175 392023489 /nfs/dbraw/zinc/02/34/89/392023489.db2.gz ROPIQQRRKGDVCF-MRVPVSSYSA-N -1 0 322.408 -0.513 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000649246647 392023570 /nfs/dbraw/zinc/02/35/70/392023570.db2.gz UAAHHSKRHXNGEQ-KCJUWKMLSA-N -1 0 308.356 -0.984 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@H](C(=O)[O-])C1 ZINC000649251261 392025326 /nfs/dbraw/zinc/02/53/26/392025326.db2.gz SADCMVOSLZMEPT-KXUCPTDWSA-N -1 0 304.368 -0.268 20 0 DBADRM COc1cc(OC)nc([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)n1 ZINC000278533871 130699468 /nfs/dbraw/zinc/69/94/68/130699468.db2.gz IXJZZEDLHAWPIK-ZETCQYMHSA-N -1 0 318.355 -0.288 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(c2cncc(C(=O)[O-])n2)C1 ZINC000649385652 392060883 /nfs/dbraw/zinc/06/08/83/392060883.db2.gz VBHLRSVABBZHLT-VIFPVBQESA-N -1 0 314.367 -0.060 20 0 DBADRM C[C@@H]1OCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)[C@H]1C ZINC000380381886 392063023 /nfs/dbraw/zinc/06/30/23/392063023.db2.gz QQFIGXVPNOYSID-IUCAKERBSA-N -1 0 303.340 -0.234 20 0 DBADRM Cc1sc(NC[C@@H]2CS(=O)(=O)CCO2)nc1C(=O)[O-] ZINC000649397612 392063361 /nfs/dbraw/zinc/06/33/61/392063361.db2.gz QTUQGLZZIYNIML-SSDOTTSWSA-N -1 0 306.365 -0.203 20 0 DBADRM CS(=O)(=O)NC1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC000649384026 392063604 /nfs/dbraw/zinc/06/36/04/392063604.db2.gz ZXYLVHVADMOTAK-UHFFFAOYSA-N -1 0 300.340 -0.307 20 0 DBADRM C[C@@H]1OCC[C@@]12CN(C(=O)c1cnc([O-])n(C)c1=O)C[C@@H](C)O2 ZINC000279401701 130745865 /nfs/dbraw/zinc/74/58/65/130745865.db2.gz RUTPOSHYCUXJCD-HFBDOXOYSA-N -1 0 323.349 -0.106 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000554531447 392094821 /nfs/dbraw/zinc/09/48/21/392094821.db2.gz AYNKTHJFTPVNCE-DTWKUNHWSA-N -1 0 323.367 -0.405 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)CCCCF)C1 ZINC000554531778 392095220 /nfs/dbraw/zinc/09/52/20/392095220.db2.gz KGHCTXZYQWKHEY-SECBINFHSA-N -1 0 310.347 -0.411 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)CC(C)(C)C(=O)[O-])CC1 ZINC000554732369 392098644 /nfs/dbraw/zinc/09/86/44/392098644.db2.gz WBAJWNOVHSLDFX-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000555070027 392103499 /nfs/dbraw/zinc/10/34/99/392103499.db2.gz KREQPEYQGCSDGE-WRWGMCAJSA-N -1 0 307.354 -0.043 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC1COCCOC1 ZINC000383281323 392107453 /nfs/dbraw/zinc/10/74/53/392107453.db2.gz IGRJIIZAFMEIME-UHFFFAOYSA-N -1 0 305.308 -0.020 20 0 DBADRM COC[C@@](C)(NC(=O)NCCCO[C@@H]1CCOC1)C(=O)[O-] ZINC000555845561 392111964 /nfs/dbraw/zinc/11/19/64/392111964.db2.gz BTIYYUUGDIWYEN-ZWNOBZJWSA-N -1 0 304.343 -0.029 20 0 DBADRM Cc1cc2c(cc1S(=O)(=O)N[C@H](CO)C(=O)[O-])OCO2 ZINC000279929534 130771338 /nfs/dbraw/zinc/77/13/38/130771338.db2.gz GATQIMCVALXBBX-SSDOTTSWSA-N -1 0 303.292 -0.552 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c(F)c1 ZINC000275153657 392122664 /nfs/dbraw/zinc/12/26/64/392122664.db2.gz ZAUWLYFIFZHBHB-QMMMGPOBSA-N -1 0 304.299 -0.259 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)Cc1ccccc1F)C(=O)[O-] ZINC000274888563 392122991 /nfs/dbraw/zinc/12/29/91/392122991.db2.gz FJMPRUQJYLDBJF-VIFPVBQESA-N -1 0 304.299 -0.426 20 0 DBADRM COC(=O)c1sccc1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000275223374 392123202 /nfs/dbraw/zinc/12/32/02/392123202.db2.gz DPHQBPXZWOEPIV-UHFFFAOYSA-N -1 0 323.348 -0.398 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000274194579 392123334 /nfs/dbraw/zinc/12/33/34/392123334.db2.gz RQVNMCKNNRXLEI-UHFFFAOYSA-N -1 0 302.290 -0.068 20 0 DBADRM NS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ncc[nH]2)cc1 ZINC000380793783 392129161 /nfs/dbraw/zinc/12/91/61/392129161.db2.gz JCQUSGYMXGKFAB-UHFFFAOYSA-N -1 0 316.364 -0.001 20 0 DBADRM Cc1cncc(/C=C/C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000282294073 130912440 /nfs/dbraw/zinc/91/24/40/130912440.db2.gz RSQFHVSRHDGJMM-ONEGZZNKSA-N -1 0 311.363 -0.015 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1Cc2ccccc2O1 ZINC000282360236 130916674 /nfs/dbraw/zinc/91/66/74/130916674.db2.gz XHSAWRZGNHXZJZ-LLVKDONJSA-N -1 0 312.347 -0.428 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000340183757 131014501 /nfs/dbraw/zinc/01/45/01/131014501.db2.gz BVFSSIIRNKLYNM-UHFFFAOYSA-N -1 0 319.360 -0.279 20 0 DBADRM CCCNC(=O)NC(=O)CN1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000284316250 131069091 /nfs/dbraw/zinc/06/90/91/131069091.db2.gz PLIQPBPOXWLEHF-VIFPVBQESA-N -1 0 311.342 -0.222 20 0 DBADRM CN1CCN(Cc2nc(=O)[n-][nH]2)C[C@@H]1c1nc(C2CC2)no1 ZINC000284559738 131092246 /nfs/dbraw/zinc/09/22/46/131092246.db2.gz FWVUYXGLEVGENE-SECBINFHSA-N -1 0 305.342 -0.153 20 0 DBADRM O=C(CN1CC(=O)NC1=O)NCc1ccnc(OC(F)F)c1 ZINC000284739085 131108292 /nfs/dbraw/zinc/10/82/92/131108292.db2.gz QLLWQVKHEKHKDZ-UHFFFAOYSA-N -1 0 314.248 -0.149 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)[O-] ZINC000284961603 131126695 /nfs/dbraw/zinc/12/66/95/131126695.db2.gz DWMSCGLAPYIFOY-ZETCQYMHSA-N -1 0 305.312 -0.977 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2nc(N(C)C)n[nH]2)c[nH]1 ZINC000285043604 131133304 /nfs/dbraw/zinc/13/33/04/131133304.db2.gz JHNPLZQMSNBBJT-UHFFFAOYSA-N -1 0 314.327 -0.214 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CCNC(=O)N2CCSCC2)C1 ZINC000285072794 131136016 /nfs/dbraw/zinc/13/60/16/131136016.db2.gz KRFWSVBKRVODRK-SECBINFHSA-N -1 0 301.368 -0.322 20 0 DBADRM COC(=O)CN(C)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000037466045 392375821 /nfs/dbraw/zinc/37/58/21/392375821.db2.gz PVAQUJHDTDJLBQ-UHFFFAOYSA-N -1 0 317.319 -0.057 20 0 DBADRM CC[C@@H](C)NC(=O)CCNC(=O)C(=O)[N-]OCCSC ZINC000285337451 131158860 /nfs/dbraw/zinc/15/88/60/131158860.db2.gz XVNZSHFFPGWYPY-SECBINFHSA-N -1 0 305.400 -0.182 20 0 DBADRM C[C@H](O)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-] ZINC000036965587 392368393 /nfs/dbraw/zinc/36/83/93/392368393.db2.gz XJBRAVUABTUGBL-WRWORJQWSA-N -1 0 301.320 -0.266 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000036969621 392368436 /nfs/dbraw/zinc/36/84/36/392368436.db2.gz LIVVGSMTMCXBGT-UHFFFAOYSA-N -1 0 314.319 -0.730 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-] ZINC000036965586 392368706 /nfs/dbraw/zinc/36/87/06/392368706.db2.gz XJBRAVUABTUGBL-HQJQHLMTSA-N -1 0 301.320 -0.266 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)CSCC(=O)N1CCOCC1 ZINC000036980299 392369103 /nfs/dbraw/zinc/36/91/03/392369103.db2.gz VPMCUPPFOWBFIA-UHFFFAOYSA-N -1 0 318.395 -0.098 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(N)=O ZINC000037268761 392371662 /nfs/dbraw/zinc/37/16/62/392371662.db2.gz SSKHWXPTQBPPMG-UHFFFAOYSA-N -1 0 302.308 -0.501 20 0 DBADRM Cn1cc(S(=O)(=O)NCCC[S@@](C)=O)cc1C(=O)[O-] ZINC000229193538 392373412 /nfs/dbraw/zinc/37/34/12/392373412.db2.gz NXHTYJHHBUCPFB-GOSISDBHSA-N -1 0 308.381 -0.230 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cn1C ZINC000037418981 392373737 /nfs/dbraw/zinc/37/37/37/392373737.db2.gz NDUUBMVMQDELBL-SECBINFHSA-N -1 0 315.351 -0.378 20 0 DBADRM CN(CCCC(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000037418398 392374096 /nfs/dbraw/zinc/37/40/96/392374096.db2.gz GGAKPZAUEXDUOA-UHFFFAOYSA-N -1 0 303.340 -0.391 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(OC)c1 ZINC000037406700 392374106 /nfs/dbraw/zinc/37/41/06/392374106.db2.gz QEEDHRITXMDRAL-QMMMGPOBSA-N -1 0 305.308 -0.572 20 0 DBADRM CC[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@@H](C)[S@@]1=O ZINC000286425392 131235396 /nfs/dbraw/zinc/23/53/96/131235396.db2.gz BKZYGECLXHUAJT-UWCLWIGYSA-N -1 0 318.424 -0.052 20 0 DBADRM CC(C)Oc1ccc(=NC(=O)C(=O)N2CN(C)C(=O)[C@@H]2C)[n-]n1 ZINC000646910854 392386405 /nfs/dbraw/zinc/38/64/05/392386405.db2.gz HNBMPOLNTMGERB-VIFPVBQESA-N -1 0 321.337 -0.729 20 0 DBADRM CCC[C@@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC000036838115 392378160 /nfs/dbraw/zinc/37/81/60/392378160.db2.gz VFAPVFWYRXOPDG-SNVBAGLBSA-N -1 0 322.383 -0.041 20 0 DBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cn(C)nc1C ZINC000287626559 131291321 /nfs/dbraw/zinc/29/13/21/131291321.db2.gz SWTMLRUAQMFUGF-SECBINFHSA-N -1 0 305.356 -0.161 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]N=c1nc(OC)cc[nH]1 ZINC000288132576 131313203 /nfs/dbraw/zinc/31/32/03/131313203.db2.gz AXDLFDJRVBWJSE-UHFFFAOYSA-N -1 0 318.355 -0.069 20 0 DBADRM C[C@@H]1SCC[C@H]1NC(=O)C(=O)N=c1nc2n([n-]1)CCCC2 ZINC000646942495 392387698 /nfs/dbraw/zinc/38/76/98/392387698.db2.gz NTAAWNCJDJRPQJ-DTWKUNHWSA-N -1 0 309.395 -0.015 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cn1 ZINC000289033388 131353122 /nfs/dbraw/zinc/35/31/22/131353122.db2.gz WREVCDAASCLOHG-QMMMGPOBSA-N -1 0 312.355 -0.600 20 0 DBADRM COC(=O)c1sccc1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000037417421 392417054 /nfs/dbraw/zinc/41/70/54/392417054.db2.gz VYRHVIQMKKBXCU-YFKPBYRVSA-N -1 0 309.321 -0.742 20 0 DBADRM NC(=O)[C@H](CO)NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000557514716 392436007 /nfs/dbraw/zinc/43/60/07/392436007.db2.gz MWGQPYDADYDJNQ-VIFPVBQESA-N -1 0 308.269 -0.707 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000647175814 392474540 /nfs/dbraw/zinc/47/45/40/392474540.db2.gz HXPWRLUUQJOWKC-LPEHRKFASA-N -1 0 318.395 -0.117 20 0 DBADRM COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1 ZINC000090262857 392476211 /nfs/dbraw/zinc/47/62/11/392476211.db2.gz HRZPRSUHXXNUHM-SECBINFHSA-N -1 0 317.319 -0.495 20 0 DBADRM C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)nc1)C(=O)[O-] ZINC000647205737 392482586 /nfs/dbraw/zinc/48/25/86/392482586.db2.gz OZXSTAQNYOCEGS-SSDOTTSWSA-N -1 0 301.324 -0.465 20 0 DBADRM C[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)[C@H](C)N1CCOCC1 ZINC000559278800 392482795 /nfs/dbraw/zinc/48/27/95/392482795.db2.gz LKRNHFZXXZKVAT-MNOVXSKESA-N -1 0 319.365 -0.138 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000647219799 392484817 /nfs/dbraw/zinc/48/48/17/392484817.db2.gz ZOFYJSBWOZOTIX-LLVKDONJSA-N -1 0 307.306 -0.491 20 0 DBADRM Cn1nccc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000559543218 392507077 /nfs/dbraw/zinc/50/70/77/392507077.db2.gz WJVZXKFZCVEFCA-CABZTGNLSA-N -1 0 315.351 -0.468 20 0 DBADRM COCCN(CCOC)C(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000560075918 392514435 /nfs/dbraw/zinc/51/44/35/392514435.db2.gz AKMBBDTWNQWWPF-CWKPULSASA-N -1 0 322.383 -0.781 20 0 DBADRM COCC[C@@H]1COCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000291328682 131561186 /nfs/dbraw/zinc/56/11/86/131561186.db2.gz ZSCCSFVUAIXEHP-MRVPVSSYSA-N -1 0 302.356 -0.546 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000049606925 392516417 /nfs/dbraw/zinc/51/64/17/392516417.db2.gz RXFFAERQKKYNSZ-UHFFFAOYSA-N -1 0 316.335 -0.493 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000427717464 392552328 /nfs/dbraw/zinc/55/23/28/392552328.db2.gz HHOMWWXBOOMTGB-QMMMGPOBSA-N -1 0 322.321 -0.982 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N(C)CCCC(=O)[O-] ZINC000427735601 392552568 /nfs/dbraw/zinc/55/25/68/392552568.db2.gz RRVWPJUKRHXFJP-UHFFFAOYSA-N -1 0 310.372 -0.735 20 0 DBADRM CO[C@@H](CNC(=O)c1nn(C)c2ccccc2c1=O)C(=O)[O-] ZINC000427747754 392553095 /nfs/dbraw/zinc/55/30/95/392553095.db2.gz VMTOKOOZYLYWTQ-JTQLQIEISA-N -1 0 305.290 -0.237 20 0 DBADRM CO[C@@H](CNC(=O)[C@@H](C)NC(=O)COc1ccccc1)C(=O)[O-] ZINC000427803817 392556394 /nfs/dbraw/zinc/55/63/94/392556394.db2.gz YZNUQKFUYXZVKL-PWSUYJOCSA-N -1 0 324.333 -0.214 20 0 DBADRM CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000443521624 392571910 /nfs/dbraw/zinc/57/19/10/392571910.db2.gz JLXJCSBVMCPLFB-SVRRBLITSA-N -1 0 305.360 -0.910 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)Cc2cnn(C)c2)C[C@@H]1C(=O)[O-] ZINC000647500819 392616871 /nfs/dbraw/zinc/61/68/71/392616871.db2.gz LKQNFRWDZOWFCP-JQWIXIFHSA-N -1 0 322.365 -0.052 20 0 DBADRM CC(C)NS(=O)(=O)NCCNc1ccc(C(=O)[O-])cn1 ZINC000647453634 392590229 /nfs/dbraw/zinc/59/02/29/392590229.db2.gz OKSHRFIVNQFTHA-UHFFFAOYSA-N -1 0 302.356 -0.554 20 0 DBADRM O=C([O-])c1cnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c(Cl)c1 ZINC000647450918 392590474 /nfs/dbraw/zinc/59/04/74/392590474.db2.gz DQYWCTXUXFTOTL-QMMMGPOBSA-N -1 0 324.724 -0.420 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1)C(=O)[O-] ZINC000647489029 392596199 /nfs/dbraw/zinc/59/61/99/392596199.db2.gz KCWCPFLLQGQSKX-QMMMGPOBSA-N -1 0 324.293 -0.893 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC000647487246 392596263 /nfs/dbraw/zinc/59/62/63/392596263.db2.gz OPFJYLFPUVADEJ-MRVPVSSYSA-N -1 0 321.289 -0.065 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000647487578 392596383 /nfs/dbraw/zinc/59/63/83/392596383.db2.gz LQPGKQDPCUWPTD-VXGBXAGGSA-N -1 0 322.317 -0.218 20 0 DBADRM CCOCCO[C@@H](C)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424233474 392664904 /nfs/dbraw/zinc/66/49/04/392664904.db2.gz DGMPOFFRSHSALG-UWVGGRQHSA-N -1 0 323.367 -0.862 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ncccc2O)CCS1(=O)=O ZINC000424235948 392665275 /nfs/dbraw/zinc/66/52/75/392665275.db2.gz GKKQWGPKAJKOHL-QMMMGPOBSA-N -1 0 300.292 -0.889 20 0 DBADRM CCOCCO[C@@H](C)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424233477 392665418 /nfs/dbraw/zinc/66/54/18/392665418.db2.gz DGMPOFFRSHSALG-VHSXEESVSA-N -1 0 323.367 -0.862 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C[C@@H]2CCCCO2)CCS1(=O)=O ZINC000424231666 392665689 /nfs/dbraw/zinc/66/56/89/392665689.db2.gz BKFUJOCESOKJSW-UWVGGRQHSA-N -1 0 305.352 -0.344 20 0 DBADRM CCc1nn(C)cc1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424248591 392666739 /nfs/dbraw/zinc/66/67/39/392666739.db2.gz SEEWEURVPHNTRS-SNVBAGLBSA-N -1 0 315.351 -0.694 20 0 DBADRM CC(C)n1ccc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424252161 392666756 /nfs/dbraw/zinc/66/67/56/392666756.db2.gz VXFDXGBZODADQM-JTQLQIEISA-N -1 0 315.351 -0.212 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1cccnc1 ZINC000424248646 392666804 /nfs/dbraw/zinc/66/68/04/392666804.db2.gz SIDFWNLIGXNDQS-KOLCDFICSA-N -1 0 312.347 -0.105 20 0 DBADRM CC(C)n1cc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cn1 ZINC000424244842 392666889 /nfs/dbraw/zinc/66/68/89/392666889.db2.gz ODIKNNVZQKSFRE-SNVBAGLBSA-N -1 0 315.351 -0.212 20 0 DBADRM CCCCO[C@H](C)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424248729 392666935 /nfs/dbraw/zinc/66/69/35/392666935.db2.gz SMCXVPLKHFUERO-ZJUUUORDSA-N -1 0 307.368 -0.098 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C[C@@H]2CCCC[C@H]2O)CCS1(=O)=O ZINC000424254615 392667082 /nfs/dbraw/zinc/66/70/82/392667082.db2.gz YWHKWCRSIAWJPO-AXFHLTTASA-N -1 0 319.379 -0.362 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccccn1 ZINC000424243885 392667124 /nfs/dbraw/zinc/66/71/24/392667124.db2.gz NPJPLLAAFQJOPM-GXSJLCMTSA-N -1 0 312.347 -0.105 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CC[C@H]2CCCO2)CCS1(=O)=O ZINC000424248668 392667258 /nfs/dbraw/zinc/66/72/58/392667258.db2.gz SJKKZACDAVKRKY-NXEZZACHSA-N -1 0 305.352 -0.344 20 0 DBADRM CC(C)CCS(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424374510 392668355 /nfs/dbraw/zinc/66/83/55/392668355.db2.gz ZGMBSBXQESCVJW-SECBINFHSA-N -1 0 313.397 -0.454 20 0 DBADRM CC1(C)OCC[C@@H]1NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424399986 392668441 /nfs/dbraw/zinc/66/84/41/392668441.db2.gz SEUHCMAJLDKYOL-BDAKNGLRSA-N -1 0 320.367 -0.553 20 0 DBADRM CC[C@@H](C)CS(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424367481 392668485 /nfs/dbraw/zinc/66/84/85/392668485.db2.gz MGPFPUNBEVUTBC-RKDXNWHRSA-N -1 0 313.397 -0.454 20 0 DBADRM CCCCCS(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424367691 392668509 /nfs/dbraw/zinc/66/85/09/392668509.db2.gz NJOUMMZTQOLCBL-VIFPVBQESA-N -1 0 313.397 -0.310 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N2CCSCC2)CCS1(=O)=O ZINC000424371821 392668901 /nfs/dbraw/zinc/66/89/01/392668901.db2.gz VRZMQQQMGBZKLS-MRVPVSSYSA-N -1 0 308.381 -0.661 20 0 DBADRM Cc1nc2[nH]ccc2c(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424473737 392670243 /nfs/dbraw/zinc/67/02/43/392670243.db2.gz QYKMDZDBAKQGJT-VIFPVBQESA-N -1 0 310.335 -0.046 20 0 DBADRM Cn1ncc2c1nccc2N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424474334 392670332 /nfs/dbraw/zinc/67/03/32/392670332.db2.gz RJCLTMRSAIHYCC-JTQLQIEISA-N -1 0 310.335 -0.344 20 0 DBADRM CCC(CC)NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424471412 392671945 /nfs/dbraw/zinc/67/19/45/392671945.db2.gz SJCBRQICDBDIDP-SECBINFHSA-N -1 0 320.367 -0.999 20 0 DBADRM CC(C)Oc1ccc(=NC(=O)[C@H]2CCN(C)S2(=O)=O)[n-]n1 ZINC000648363888 392682391 /nfs/dbraw/zinc/68/23/91/392682391.db2.gz INBYDTZHXBBIHL-SECBINFHSA-N -1 0 314.367 -0.342 20 0 DBADRM CN(CC(C)(C)O)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647503905 392621961 /nfs/dbraw/zinc/62/19/61/392621961.db2.gz TZUNACUKYMONJO-UHFFFAOYSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)NCC(=O)N2CCOCC2)CC[C@@H]1C(=O)[O-] ZINC000318822607 392622108 /nfs/dbraw/zinc/62/21/08/392622108.db2.gz YIOGCZKTLVACEM-MNOVXSKESA-N -1 0 313.354 -0.403 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C1 ZINC000319182443 392622817 /nfs/dbraw/zinc/62/28/17/392622817.db2.gz JXXKYQNYNDRGIQ-YGRLFVJLSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCc3c[nH]nc3C2)C[C@H]1C(=O)[O-] ZINC000647504307 392623502 /nfs/dbraw/zinc/62/35/02/392623502.db2.gz QEHZJYMADBFSEP-MWLCHTKSSA-N -1 0 320.349 -0.136 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCc3c[nH]nc3C2)C[C@@H]1C(=O)[O-] ZINC000647504306 392623552 /nfs/dbraw/zinc/62/35/52/392623552.db2.gz QEHZJYMADBFSEP-KOLCDFICSA-N -1 0 320.349 -0.136 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)CCOCCO)C[C@@H]1C(=O)[O-] ZINC000647505255 392624042 /nfs/dbraw/zinc/62/40/42/392624042.db2.gz NMMLCCGMHFIJSG-MNOVXSKESA-N -1 0 316.354 -0.977 20 0 DBADRM CNC(=O)c1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cc1 ZINC000647579977 392647826 /nfs/dbraw/zinc/64/78/26/392647826.db2.gz YFJOEEMZCXGMEB-UHFFFAOYSA-N -1 0 321.333 -0.357 20 0 DBADRM CN1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1=O ZINC000647584490 392647932 /nfs/dbraw/zinc/64/79/32/392647932.db2.gz FZZKFWOGGHSLHW-AEJSXWLSSA-N -1 0 311.338 -0.907 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCCn2cncn2)C[C@@H]1C(=O)[O-] ZINC000647579595 392647990 /nfs/dbraw/zinc/64/79/90/392647990.db2.gz BZAOMJNYEISRQR-MNOVXSKESA-N -1 0 323.353 -0.646 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2CCSC2)CCOCC1 ZINC000647583155 392647994 /nfs/dbraw/zinc/64/79/94/392647994.db2.gz HLEOHCGNOYQBCW-SECBINFHSA-N -1 0 316.379 -0.394 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 ZINC000647580227 392648036 /nfs/dbraw/zinc/64/80/36/392648036.db2.gz DJGGRFAOQVPBNF-MIMYLULJSA-N -1 0 320.349 -0.247 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647582474 392648281 /nfs/dbraw/zinc/64/82/81/392648281.db2.gz CSGUGILVDLJDIL-SNVBAGLBSA-N -1 0 323.353 -0.504 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C2 ZINC000647590308 392649493 /nfs/dbraw/zinc/64/94/93/392649493.db2.gz GJQWZQFEESVOOL-VHSXEESVSA-N -1 0 321.337 -0.702 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C[C@@H]1OC ZINC000647592154 392650717 /nfs/dbraw/zinc/65/07/17/392650717.db2.gz VOEACQPOUPINJQ-ZRUFSTJUSA-N -1 0 314.338 -0.772 20 0 DBADRM COCCOC1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647592541 392651014 /nfs/dbraw/zinc/65/10/14/392651014.db2.gz IYNSHSRNECJKGG-VHSXEESVSA-N -1 0 314.338 -0.770 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1n1cccn1 ZINC000647602104 392654776 /nfs/dbraw/zinc/65/47/76/392654776.db2.gz BYWGQBKXSFUWNT-XKSSXDPKSA-N -1 0 320.309 -0.372 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H](O)C(N)=O ZINC000647625790 392655729 /nfs/dbraw/zinc/65/57/29/392655729.db2.gz ATKCFECGJBOASP-SNVBAGLBSA-N -1 0 315.351 -0.976 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C(=O)[O-] ZINC000647617714 392656053 /nfs/dbraw/zinc/65/60/53/392656053.db2.gz HBBVDABKWKBXOY-SKWCMTHISA-N -1 0 303.340 -0.031 20 0 DBADRM CC[C@H](CS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C)OC ZINC000647642824 392663261 /nfs/dbraw/zinc/66/32/61/392663261.db2.gz MTPCZDZPRVJXFD-SCZZXKLOSA-N -1 0 305.356 -0.110 20 0 DBADRM CCC[C@@H](C)C(=O)NCCNC(=O)c1cnc([O-])n(C)c1=O ZINC000293758377 131767108 /nfs/dbraw/zinc/76/71/08/131767108.db2.gz UQXFMZVJLQLCLB-SECBINFHSA-N -1 0 310.354 -0.232 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N=c1nc2ccccn2[n-]1 ZINC000647745914 392837150 /nfs/dbraw/zinc/83/71/50/392837150.db2.gz GMIFEMWJDOVBLE-UHFFFAOYSA-N -1 0 321.318 -0.048 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647746979 392838349 /nfs/dbraw/zinc/83/83/49/392838349.db2.gz QITAMKCPQBJEIK-UHFFFAOYSA-N -1 0 304.328 -0.766 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])c[nH]1 ZINC000275059817 292004281 /nfs/dbraw/zinc/00/42/81/292004281.db2.gz YPYVDZZHWBNRJB-QMMMGPOBSA-N -1 0 320.348 -0.051 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)OC ZINC000491487618 392781475 /nfs/dbraw/zinc/78/14/75/392781475.db2.gz FSBRRUPXHCYLTA-VIFPVBQESA-N -1 0 310.372 -0.054 20 0 DBADRM CO[C@@H](C)c1nsc(NC([O-])=C2CCN(C)S2(=O)=O)n1 ZINC000648383859 392795516 /nfs/dbraw/zinc/79/55/16/392795516.db2.gz LYERLQGLQDFZOJ-NKWVEPMBSA-N -1 0 320.396 -0.360 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000390133588 392805275 /nfs/dbraw/zinc/80/52/75/392805275.db2.gz CJWZBTRIFBZDAB-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000647755959 392842775 /nfs/dbraw/zinc/84/27/75/392842775.db2.gz RLNLOTOAGDYFKY-MXWKQRLJSA-N -1 0 318.395 -0.020 20 0 DBADRM CN1CC[C@H](C(=O)NC2CCC(C(=O)[O-])CC2)S1(=O)=O ZINC000647729038 392828708 /nfs/dbraw/zinc/82/87/08/392828708.db2.gz WYBDUSCFLHAAHW-UDNWOFFPSA-N -1 0 304.368 -0.220 20 0 DBADRM CS(=O)(=O)NCCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000647733993 392831881 /nfs/dbraw/zinc/83/18/81/392831881.db2.gz NOWWGYXQSIEESE-UHFFFAOYSA-N -1 0 308.356 -0.982 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)cc1C(=O)[O-] ZINC000021504462 392832001 /nfs/dbraw/zinc/83/20/01/392832001.db2.gz VAZJVZDPWNPOGT-MRVPVSSYSA-N -1 0 301.324 -0.638 20 0 DBADRM Cn1ccc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2=O)n1 ZINC000647738736 392835120 /nfs/dbraw/zinc/83/51/20/392835120.db2.gz AZWIPPKYJDKSQQ-BBBLOLIVSA-N -1 0 306.322 -0.248 20 0 DBADRM C[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1C(=O)[O-] ZINC000647743522 392835876 /nfs/dbraw/zinc/83/58/76/392835876.db2.gz LNKJITRZLISTSU-KXUCPTDWSA-N -1 0 304.368 -0.268 20 0 DBADRM Cc1cc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])ccc1S(N)(=O)=O ZINC000647742441 392836073 /nfs/dbraw/zinc/83/60/73/392836073.db2.gz YOWLBHOGSIMLRU-NXEZZACHSA-N -1 0 312.347 -0.021 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CC(=O)N(C)C1 ZINC000274159594 392852768 /nfs/dbraw/zinc/85/27/68/392852768.db2.gz MIOKSHZPAJFAAB-ZCFIWIBFSA-N -1 0 319.364 -0.561 20 0 DBADRM CNc1nc(C)cc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)n1 ZINC000647768998 392858162 /nfs/dbraw/zinc/85/81/62/392858162.db2.gz GVPWDVOEVZTJDI-JTQLQIEISA-N -1 0 304.310 -0.462 20 0 DBADRM CNc1nc(C)cc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)n1 ZINC000647768999 392858167 /nfs/dbraw/zinc/85/81/67/392858167.db2.gz GVPWDVOEVZTJDI-SNVBAGLBSA-N -1 0 304.310 -0.462 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)C(=O)[O-] ZINC000647769245 392858921 /nfs/dbraw/zinc/85/89/21/392858921.db2.gz PIEGANNOHYBTIL-SNVBAGLBSA-N -1 0 317.367 -0.125 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C1(C(=O)[O-])CCC1 ZINC000571049349 392861533 /nfs/dbraw/zinc/86/15/33/392861533.db2.gz HGMNCCIAHFPCBP-SECBINFHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000647899928 392922153 /nfs/dbraw/zinc/92/21/53/392922153.db2.gz CKALWJWKNNXUAJ-NSHDSACASA-N -1 0 300.384 -0.248 20 0 DBADRM CCCC[C@@H](NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-] ZINC000273178497 392935699 /nfs/dbraw/zinc/93/56/99/392935699.db2.gz IJMTXQOINDJFLS-LLVKDONJSA-N -1 0 315.370 -0.222 20 0 DBADRM CNS(=O)(=O)N1CCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000298895869 132082791 /nfs/dbraw/zinc/08/27/91/132082791.db2.gz KDYUIVRILSDTAJ-UHFFFAOYSA-N -1 0 317.342 -0.247 20 0 DBADRM CN1CCN(C(=O)c2ccc(CNC(=O)C(=O)[O-])cc2)CC1 ZINC000274167272 392937848 /nfs/dbraw/zinc/93/78/48/392937848.db2.gz MEILIWLACHJGLM-UHFFFAOYSA-N -1 0 305.334 -0.225 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCCOCCO ZINC000299225081 132094330 /nfs/dbraw/zinc/09/43/30/132094330.db2.gz BCLVLQPGHJBXAQ-UHFFFAOYSA-N -1 0 320.342 -0.064 20 0 DBADRM COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)[O-])C1=O ZINC000274203149 392939685 /nfs/dbraw/zinc/93/96/85/392939685.db2.gz UOVOKOOEBROCLE-ZETCQYMHSA-N -1 0 312.303 -0.159 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000274869834 392940593 /nfs/dbraw/zinc/94/05/93/392940593.db2.gz ALSKWHLHYOTALD-QMMMGPOBSA-N -1 0 311.323 -0.339 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000274951962 392940942 /nfs/dbraw/zinc/94/09/42/392940942.db2.gz SVKYULQQJZEDHA-JTQLQIEISA-N -1 0 311.323 -0.196 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1C ZINC000274946775 392941027 /nfs/dbraw/zinc/94/10/27/392941027.db2.gz RVWOOKUMTCZTPB-JTQLQIEISA-N -1 0 317.319 -0.495 20 0 DBADRM CSc1nc(=O)n(CC(=O)NCCCN2CCCC2=O)[n-]1 ZINC000340709508 132171094 /nfs/dbraw/zinc/17/10/94/132171094.db2.gz LNVQVKXQTNCNJI-UHFFFAOYSA-N -1 0 313.383 -0.578 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2cncc(C(N)=O)n2)C1=O ZINC000416449505 393006128 /nfs/dbraw/zinc/00/61/28/393006128.db2.gz WAUVBZZYGLOYLS-KCJUWKMLSA-N -1 0 321.337 -0.303 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2cncc(C(N)=O)n2)C1=O ZINC000416449502 393006789 /nfs/dbraw/zinc/00/67/89/393006789.db2.gz WAUVBZZYGLOYLS-GZMMTYOYSA-N -1 0 321.337 -0.303 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)N2CCOCC2)C1=O ZINC000417448808 393047023 /nfs/dbraw/zinc/04/70/23/393047023.db2.gz WMFGVOBHDVGIKB-MNOVXSKESA-N -1 0 313.354 -0.262 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)CCCF)C1=O ZINC000417450284 393049592 /nfs/dbraw/zinc/04/95/92/393049592.db2.gz ZUCRMWMQFRKNKQ-NXEZZACHSA-N -1 0 324.374 -0.025 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)NC1(c2nnn[n-]2)CC1 ZINC000348283510 393135554 /nfs/dbraw/zinc/13/55/54/393135554.db2.gz QKKWCZXTDXWSTG-UHFFFAOYSA-N -1 0 301.372 -0.090 20 0 DBADRM O=C(CNC(=O)Cc1cccc(F)c1)NC1(c2nnn[n-]2)CC1 ZINC000348280285 393135728 /nfs/dbraw/zinc/13/57/28/393135728.db2.gz HODUTFBSEVBCAD-UHFFFAOYSA-N -1 0 318.312 -0.197 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)NC2(c3nnn[n-]3)CC2)C1=O ZINC000348294880 393137654 /nfs/dbraw/zinc/13/76/54/393137654.db2.gz UCPVHWBRUZBITH-GFCCVEGCSA-N -1 0 319.325 -0.975 20 0 DBADRM NC(=O)c1cccc(OCCC(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000348291962 393137725 /nfs/dbraw/zinc/13/77/25/393137725.db2.gz KFUBFKYRBXSDLS-UHFFFAOYSA-N -1 0 316.321 -0.127 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000348292614 393137883 /nfs/dbraw/zinc/13/78/83/393137883.db2.gz LHCNITMAANQOAZ-VIFPVBQESA-N -1 0 316.321 -0.053 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2cc(CCOC)nn2C)c1[O-] ZINC000348686740 393163701 /nfs/dbraw/zinc/16/37/01/393163701.db2.gz FDVBYTHJVXNEQM-SNVBAGLBSA-N -1 0 310.310 -0.403 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2cc(CCOC)nn2C)c1[O-] ZINC000348686737 393163827 /nfs/dbraw/zinc/16/38/27/393163827.db2.gz FDVBYTHJVXNEQM-JTQLQIEISA-N -1 0 310.310 -0.403 20 0 DBADRM CCCc1nc(=NC(=O)N2CCC[C@@](O)(C(N)=O)C2)s[n-]1 ZINC000350904458 393257050 /nfs/dbraw/zinc/25/70/50/393257050.db2.gz WBCHTIUPEFLMFQ-LBPRGKRZSA-N -1 0 313.383 -0.243 20 0 DBADRM O=C(CS(=O)(=O)c1n[nH]c(=O)[n-]1)N1CCc2ccccc21 ZINC000350183325 393232013 /nfs/dbraw/zinc/23/20/13/393232013.db2.gz GMDMSSDMQXLCAH-UHFFFAOYSA-N -1 0 308.319 -0.127 20 0 DBADRM COCCCNC(=O)CS(=O)(=O)c1ncc(C(=O)OC)[n-]1 ZINC000350213730 393235115 /nfs/dbraw/zinc/23/51/15/393235115.db2.gz BMRSDIQPOFIKSM-UHFFFAOYSA-N -1 0 319.339 -0.877 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)NCCC(=O)NC(N)=O)s[n-]1 ZINC000350624132 393241718 /nfs/dbraw/zinc/24/17/18/393241718.db2.gz YWWSLJQNPGCAHV-RXMQYKEDSA-N -1 0 316.343 -0.626 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)NC[C@@]2(O)CCOC2)s[n-]1 ZINC000350668173 393243271 /nfs/dbraw/zinc/24/32/71/393243271.db2.gz SQGRLZNZKDCQQT-CPCISQLKSA-N -1 0 302.356 -0.060 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)N(CCO)C[C@@H](C)O)s[n-]1 ZINC000350702275 393246169 /nfs/dbraw/zinc/24/61/69/393246169.db2.gz BDKOLLATGSMFNY-SFYZADRCSA-N -1 0 304.372 -0.126 20 0 DBADRM CCCc1nc(=NC(=O)N2CCN(C(=O)CO)CC2)s[n-]1 ZINC000350868349 393253388 /nfs/dbraw/zinc/25/33/88/393253388.db2.gz OCHYUGLQPIELFB-UHFFFAOYSA-N -1 0 313.383 -0.419 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)NC[C@](C)(O)C(=O)[O-])nn1 ZINC000349057995 393187809 /nfs/dbraw/zinc/18/78/09/393187809.db2.gz VWEVGCNBRQMVRW-ZDUSSCGKSA-N -1 0 312.326 -0.541 20 0 DBADRM CC[C@@H]1C[C@H](C(=O)Nc2n[nH]c(CC(=O)OC)n2)CC(=O)N1 ZINC000349124733 393187914 /nfs/dbraw/zinc/18/79/14/393187914.db2.gz CFYUDAWVUOXWME-JGVFFNPUSA-N -1 0 309.326 -0.237 20 0 DBADRM CC[C@H]1C[C@@H](C(=O)Nc2n[nH]c(CC(=O)OC)n2)CC(=O)N1 ZINC000349124734 393189130 /nfs/dbraw/zinc/18/91/30/393189130.db2.gz CFYUDAWVUOXWME-SFYZADRCSA-N -1 0 309.326 -0.237 20 0 DBADRM COC(=O)[C@H](NC(=O)Cn1[n-]c(SC)nc1=O)C(C)C ZINC000351651628 393296736 /nfs/dbraw/zinc/29/67/36/393296736.db2.gz PPIYAZQVPLGIJU-MRVPVSSYSA-N -1 0 302.356 -0.393 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)[C@@H]2COc3ccccc3O2)n[n-]1 ZINC000352749996 393401315 /nfs/dbraw/zinc/40/13/15/393401315.db2.gz VHCBSRQHTAERRK-VIFPVBQESA-N -1 0 324.318 -0.013 20 0 DBADRM CS(=O)(=O)c1nnc(NC(=O)c2ccc3n[nH]nc3c2)[n-]1 ZINC000352749530 393401489 /nfs/dbraw/zinc/40/14/89/393401489.db2.gz REMPOBQMPOUQLK-UHFFFAOYSA-N -1 0 307.295 -0.268 20 0 DBADRM O=C(CCNC(=O)CSc1n[nH]c(=O)[n-]1)Nc1ccncc1 ZINC000352791725 393402964 /nfs/dbraw/zinc/40/29/64/393402964.db2.gz IJLWPJCDKWFOCC-UHFFFAOYSA-N -1 0 322.350 -0.436 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000352806066 393404544 /nfs/dbraw/zinc/40/45/44/393404544.db2.gz QYPCCBJIQPHYAY-NTSWFWBYSA-N -1 0 302.312 -0.654 20 0 DBADRM CC(C)N1CCC[C@H](N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])C1=O ZINC000333369305 393357124 /nfs/dbraw/zinc/35/71/24/393357124.db2.gz FHZNQPRHHKEQAM-VHSXEESVSA-N -1 0 323.353 -0.348 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000352274870 393362284 /nfs/dbraw/zinc/36/22/84/393362284.db2.gz MMBXCNRSBDWHDG-QWRGUYRKSA-N -1 0 312.347 -0.038 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(C)Cc2nccn2C)cn1 ZINC000352323629 393366691 /nfs/dbraw/zinc/36/66/91/393366691.db2.gz GMYSEMNRNADSBJ-UHFFFAOYSA-N -1 0 323.378 -0.005 20 0 DBADRM CN(C)C(=O)NCCN(C)S(=O)(=O)[N-]CC(F)(F)F ZINC000352337326 393366806 /nfs/dbraw/zinc/36/68/06/393366806.db2.gz GNOHOLFLPAXBJX-UHFFFAOYSA-N -1 0 306.310 -0.414 20 0 DBADRM C[C@H](CN(C)C(=O)CNC(=O)NCc1ccco1)c1nnn[n-]1 ZINC000352472908 393378102 /nfs/dbraw/zinc/37/81/02/393378102.db2.gz LVWBZIWAZYOVMH-SECBINFHSA-N -1 0 321.341 -0.146 20 0 DBADRM O=C(CN1CCOC[C@@H]1C(=O)[O-])NC[C@H]1Cc2ccccc2O1 ZINC000648425780 393469549 /nfs/dbraw/zinc/46/95/49/393469549.db2.gz PLUGVAPZOGLGOE-CHWSQXEVSA-N -1 0 320.345 -0.108 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000321341477 393492574 /nfs/dbraw/zinc/49/25/74/393492574.db2.gz ARBLUIVHMMBTNR-SNVBAGLBSA-N -1 0 319.273 -0.113 20 0 DBADRM CN1C(=O)C[C@@H](NS(=O)(=O)CCOCC2CCC2)C1=O ZINC000645695467 393493599 /nfs/dbraw/zinc/49/35/99/393493599.db2.gz FJDMZTLRYZIAIT-SNVBAGLBSA-N -1 0 304.368 -0.520 20 0 DBADRM CN1C(=O)C[C@H](NS(=O)(=O)CCC[C@H]2CCOC2)C1=O ZINC000645696044 393494017 /nfs/dbraw/zinc/49/40/17/393494017.db2.gz PBXXEELSLVOUOY-UWVGGRQHSA-N -1 0 304.368 -0.520 20 0 DBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N(C)CC(=O)[O-] ZINC000037438197 393501970 /nfs/dbraw/zinc/50/19/70/393501970.db2.gz SUSHMOHMLHODDO-QMMMGPOBSA-N -1 0 312.413 -0.410 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NC[C@](C)(O)CO)c1 ZINC000424813201 393511381 /nfs/dbraw/zinc/51/13/81/393511381.db2.gz PKXYLUHTJZCJOA-RNODOKPDSA-N -1 0 301.364 -0.338 20 0 DBADRM CN1CC[C@@H](CNS(=O)(=O)[N-]CC(F)(F)F)CC1=O ZINC000425188774 393515312 /nfs/dbraw/zinc/51/53/12/393515312.db2.gz YLIVENQOMIICQX-SSDOTTSWSA-N -1 0 303.306 -0.159 20 0 DBADRM O=C([O-])Cn1cc(CNC(=O)c2cc3c(cn2)OCCO3)nn1 ZINC000425247503 393521154 /nfs/dbraw/zinc/52/11/54/393521154.db2.gz YJYHVTZPCQLTGI-UHFFFAOYSA-N -1 0 319.277 -0.541 20 0 DBADRM CC(C)(C)[C@@H]1CCN(C(=O)C(=O)NCCC(=O)[O-])C[C@H]1O ZINC000420586351 393593198 /nfs/dbraw/zinc/59/31/98/393593198.db2.gz CSJSBOQEVIATAQ-NXEZZACHSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000420575502 393593310 /nfs/dbraw/zinc/59/33/10/393593310.db2.gz ZMYLFQDLWQXVKY-UWVGGRQHSA-N -1 0 316.354 -0.131 20 0 DBADRM CO[C@@H](CNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)CC(C)C ZINC000419537779 393586087 /nfs/dbraw/zinc/58/60/87/393586087.db2.gz NWEOQQSTRNIUEC-GHMZBOCLSA-N -1 0 312.370 -0.007 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)CCCn1cccn1 ZINC000424224507 393635065 /nfs/dbraw/zinc/63/50/65/393635065.db2.gz BCDLYVFFJXOQFS-SECBINFHSA-N -1 0 320.309 -0.544 20 0 DBADRM CCC(CC)(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C(=O)[O-] ZINC000424260411 393636221 /nfs/dbraw/zinc/63/62/21/393636221.db2.gz ZRMWEGVSUMFQJX-VIFPVBQESA-N -1 0 301.343 -0.626 20 0 DBADRM CC(C)C[C@@H](CNC(=O)N1CC[C@@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000424403693 393638131 /nfs/dbraw/zinc/63/81/31/393638131.db2.gz BKDNXSTVNJDQKO-VHSXEESVSA-N -1 0 321.399 -0.194 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424394234 393638182 /nfs/dbraw/zinc/63/81/82/393638182.db2.gz CSPKOQWIGYYROS-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM CC(C)C[C@@H](CNC(=O)N1CC[C@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000424403691 393638393 /nfs/dbraw/zinc/63/83/93/393638393.db2.gz BKDNXSTVNJDQKO-UWVGGRQHSA-N -1 0 321.399 -0.194 20 0 DBADRM CCn1nnc(C)c1CN1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424408687 393639401 /nfs/dbraw/zinc/63/94/01/393639401.db2.gz FDJWHLNDZFYIJH-VIFPVBQESA-N -1 0 307.314 -0.627 20 0 DBADRM CS[C@H](C)CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424446798 393640607 /nfs/dbraw/zinc/64/06/07/393640607.db2.gz HDEJNQKYXCMQDB-HTQZYQBOSA-N -1 0 310.397 -0.369 20 0 DBADRM CC(C)(CCNC(=O)NCC1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000424454161 393642702 /nfs/dbraw/zinc/64/27/02/393642702.db2.gz SPYQDZKQPHURJG-UHFFFAOYSA-N -1 0 321.399 -0.322 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1C[C@H](O)C[C@@H]1C)C(=O)[O-] ZINC000424486622 393643419 /nfs/dbraw/zinc/64/34/19/393643419.db2.gz FYZNKVRMNHLYMN-HBNTYKKESA-N -1 0 300.355 -0.169 20 0 DBADRM CN(CCn1cccn1)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424482484 393643551 /nfs/dbraw/zinc/64/35/51/393643551.db2.gz NDPZHUMZYNXCJC-UHFFFAOYSA-N -1 0 310.354 -0.041 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])cn1 ZINC000424525573 393645735 /nfs/dbraw/zinc/64/57/35/393645735.db2.gz WJJUXGTXNYTHGH-UHFFFAOYSA-N -1 0 310.354 -0.304 20 0 DBADRM CCOC(=O)Cn1cnc(=NC(=O)N=c2cc(C3CC3)[nH][nH]2)[n-]1 ZINC000425711857 393656830 /nfs/dbraw/zinc/65/68/30/393656830.db2.gz NPYJTHRIPSLQFX-UHFFFAOYSA-N -1 0 319.325 -0.071 20 0 DBADRM COC[C@]1(C)CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCO1 ZINC000629898221 393732130 /nfs/dbraw/zinc/73/21/30/393732130.db2.gz BUSNFQRRVPJYMQ-NSHDSACASA-N -1 0 302.356 -0.134 20 0 DBADRM CN(CCn1cccn1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000645968508 393736894 /nfs/dbraw/zinc/73/68/94/393736894.db2.gz VROIMSCTRNVEML-JTQLQIEISA-N -1 0 302.356 -0.391 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NCCOC[C@@H]1CCOC1 ZINC000645964799 393737003 /nfs/dbraw/zinc/73/70/03/393737003.db2.gz VKMKNSJSUIYWKT-GHMZBOCLSA-N -1 0 322.383 -0.577 20 0 DBADRM CCn1cc(CN(C)S(=O)(=O)N(C)CCC(=O)[O-])cn1 ZINC000645970128 393737922 /nfs/dbraw/zinc/73/79/22/393737922.db2.gz CETWZXZPNSOFHW-UHFFFAOYSA-N -1 0 304.372 -0.014 20 0 DBADRM CS(=O)(=O)CC1(CNS(=O)(=O)CCCC(=O)[O-])CC1 ZINC000645991119 393738628 /nfs/dbraw/zinc/73/86/28/393738628.db2.gz KJZBOXSRKYLDHH-UHFFFAOYSA-N -1 0 313.397 -0.405 20 0 DBADRM CCOCCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1cnnn1C ZINC000646007311 393740201 /nfs/dbraw/zinc/74/02/01/393740201.db2.gz SHHUJZYCTGZQQZ-SECBINFHSA-N -1 0 320.371 -0.437 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000646014413 393740991 /nfs/dbraw/zinc/74/09/91/393740991.db2.gz PSROYYONVPGRHQ-SSDOTTSWSA-N -1 0 306.369 -0.604 20 0 DBADRM Cn1nncc1S(=O)(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000646013769 393741007 /nfs/dbraw/zinc/74/10/07/393741007.db2.gz VYDLMSPBESWIJG-VIFPVBQESA-N -1 0 318.355 -0.541 20 0 DBADRM Cn1nncc1S(=O)(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000646025955 393741736 /nfs/dbraw/zinc/74/17/36/393741736.db2.gz PFVDBSVGOCPEQX-JTQLQIEISA-N -1 0 310.335 -0.038 20 0 DBADRM Cn1nncc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000646043392 393743646 /nfs/dbraw/zinc/74/36/46/393743646.db2.gz SKBIGFRKSIXUOR-NRPADANISA-N -1 0 300.340 -0.311 20 0 DBADRM Cc1nn(C)c2ncc(S(=O)(=O)N[C@H](CF)C(=O)[O-])cc12 ZINC000646046093 393747091 /nfs/dbraw/zinc/74/70/91/393747091.db2.gz LZCXHVDRYLVGLC-SECBINFHSA-N -1 0 316.314 -0.022 20 0 DBADRM O=C([O-])C1(CNC(=O)NC[C@H]2CC[C@@H](CO)O2)CCOCC1 ZINC000646167568 393755413 /nfs/dbraw/zinc/75/54/13/393755413.db2.gz VAJWVLGPWYAJRA-MNOVXSKESA-N -1 0 316.354 -0.293 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000646152489 393755426 /nfs/dbraw/zinc/75/54/26/393755426.db2.gz JPOICYZUXHDDLK-ZJUUUORDSA-N -1 0 313.354 -0.084 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646169394 393755505 /nfs/dbraw/zinc/75/55/05/393755505.db2.gz XZVUGMWLIPHVGT-SNVBAGLBSA-N -1 0 313.354 -0.260 20 0 DBADRM COCCCN(CCO)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646168713 393755512 /nfs/dbraw/zinc/75/55/12/393755512.db2.gz OLWXBSAYXIEPQF-UHFFFAOYSA-N -1 0 318.370 -0.092 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)NCCCC(=O)[O-] ZINC000646162402 393755594 /nfs/dbraw/zinc/75/55/94/393755594.db2.gz XLHHRKBZYRNNLC-UHFFFAOYSA-N -1 0 307.372 -0.472 20 0 DBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C)nc2)n1 ZINC000430069747 393703228 /nfs/dbraw/zinc/70/32/28/393703228.db2.gz ZQGFVKKJOFWYGT-UHFFFAOYSA-N -1 0 310.339 -0.472 20 0 DBADRM COC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCCC2)C1 ZINC000491178309 393804274 /nfs/dbraw/zinc/80/42/74/393804274.db2.gz GXZFHXGGLIRGFS-JTQLQIEISA-N -1 0 319.383 -0.078 20 0 DBADRM COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000491244176 393808380 /nfs/dbraw/zinc/80/83/80/393808380.db2.gz AEKVSGMAYNTLJT-UHFFFAOYSA-N -1 0 318.355 -0.297 20 0 DBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)C(C)C ZINC000491367263 393811159 /nfs/dbraw/zinc/81/11/59/393811159.db2.gz PKXYEJBOWLCDTB-BDAKNGLRSA-N -1 0 308.356 -0.398 20 0 DBADRM COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000491540302 393817908 /nfs/dbraw/zinc/81/79/08/393817908.db2.gz RTLVIORDPQSFBZ-SECBINFHSA-N -1 0 308.356 -0.300 20 0 DBADRM COC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000491539150 393818509 /nfs/dbraw/zinc/81/85/09/393818509.db2.gz DALHNVNGBDTRJE-NXEZZACHSA-N -1 0 320.367 -0.300 20 0 DBADRM COc1cc(/C=C/C(=O)[N-]S(=O)(=O)CC(N)=O)ccc1F ZINC000492565039 393831662 /nfs/dbraw/zinc/83/16/62/393831662.db2.gz LSAMABAAUGMAOM-HWKANZROSA-N -1 0 316.310 -0.221 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)/C=C\c1ccc(Cl)nc1 ZINC000492599533 393832588 /nfs/dbraw/zinc/83/25/88/393832588.db2.gz XJXDPCKZQNGYCK-RQOWECAXSA-N -1 0 303.727 -0.321 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C)C(=O)N(C)C ZINC000134677867 292037717 /nfs/dbraw/zinc/03/77/17/292037717.db2.gz JKMBUQQZPARMNA-ZCFIWIBFSA-N -1 0 321.380 -0.315 20 0 DBADRM CCOC(=O)CN(C(=O)CSc1n[nH]c(=O)[n-]1)C(C)C ZINC000276132744 285725497 /nfs/dbraw/zinc/72/54/97/285725497.db2.gz AAVKBKBNRLIKIE-UHFFFAOYSA-N -1 0 302.356 -0.010 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000263553119 286122803 /nfs/dbraw/zinc/12/28/03/286122803.db2.gz MJAPXWMWVRUGEM-VIFPVBQESA-N -1 0 322.383 -0.594 20 0 DBADRM CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)CCC(=O)[O-] ZINC000345191246 289252744 /nfs/dbraw/zinc/25/27/44/289252744.db2.gz BGRUADOSXDMNLO-SNVBAGLBSA-N -1 0 321.399 -0.372 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000262266902 292370690 /nfs/dbraw/zinc/37/06/90/292370690.db2.gz ZPEQLTRGZZBCNX-LBPRGKRZSA-N -1 0 322.383 -0.735 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000263161982 286648784 /nfs/dbraw/zinc/64/87/84/286648784.db2.gz YCEPZBAANHPSJP-NXEZZACHSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C[C@@H]1O ZINC000388001221 411633959 /nfs/dbraw/zinc/63/39/59/411633959.db2.gz GAVVPURXGHJUCN-CPCISQLKSA-N -1 0 300.336 -0.151 20 0 DBADRM CCNS(=O)(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000650232285 411638110 /nfs/dbraw/zinc/63/81/10/411638110.db2.gz TWPRHHIJMYSRGP-VIFPVBQESA-N -1 0 319.383 -0.762 20 0 DBADRM CCC[C@@H](C)[C@H](CO)NC(=O)C(=O)N=c1ccc(OC)n[n-]1 ZINC000651963560 411641544 /nfs/dbraw/zinc/64/15/44/411641544.db2.gz BDQFPOZONXMJQG-ZJUUUORDSA-N -1 0 310.354 -0.241 20 0 DBADRM Cc1nc(=NC(=O)C(=O)N2CCC[C@@H](OC(C)C)C2)[n-]n1C ZINC000651967905 411642649 /nfs/dbraw/zinc/64/26/49/411642649.db2.gz YZWBOKVNUVLUMH-LLVKDONJSA-N -1 0 309.370 -0.100 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)C1(n2cnnn2)CC1 ZINC000659116100 411706159 /nfs/dbraw/zinc/70/61/59/411706159.db2.gz QKJFFQIDUAWNII-NSHDSACASA-N -1 0 301.306 -0.026 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC000650291413 411658303 /nfs/dbraw/zinc/65/83/03/411658303.db2.gz RHMWVZUBLIYHLB-MFKMUULPSA-N -1 0 316.379 -0.052 20 0 DBADRM C[C@]1(C(N)=O)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000389451404 411660848 /nfs/dbraw/zinc/66/08/48/411660848.db2.gz IKBUOVBUTIFHOY-ZDUSSCGKSA-N -1 0 313.354 -0.225 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000663120658 411669780 /nfs/dbraw/zinc/66/97/80/411669780.db2.gz XWGAVHXHLGUMPT-IUCAKERBSA-N -1 0 307.372 -0.777 20 0 DBADRM C[C@@]1(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCS(=O)(=O)C1 ZINC000037019737 411671985 /nfs/dbraw/zinc/67/19/85/411671985.db2.gz SDFNNSNNIRFNJD-SNVBAGLBSA-N -1 0 322.364 -0.432 20 0 DBADRM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)[C@H]1CCCS1(=O)=O ZINC000655391283 411676971 /nfs/dbraw/zinc/67/69/71/411676971.db2.gz JWPNLGLJPIQOIG-MNOVXSKESA-N -1 0 321.362 -0.018 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])CC1 ZINC000037828085 411680142 /nfs/dbraw/zinc/68/01/42/411680142.db2.gz SJSNHHCOYYZTGK-WDEREUQCSA-N -1 0 316.379 -0.243 20 0 DBADRM CC(C)C(=O)NCCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000393007918 411682528 /nfs/dbraw/zinc/68/25/28/411682528.db2.gz SDUTWHCERORHAD-UHFFFAOYSA-N -1 0 315.370 -0.061 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCC(=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000663627048 411682724 /nfs/dbraw/zinc/68/27/24/411682724.db2.gz DUARXUNSSUGQJG-MADCSZMMSA-N -1 0 308.281 -0.152 20 0 DBADRM O=C([O-])c1cc(NCC2(O)CCS(=O)(=O)CC2)ccn1 ZINC000650769678 411687051 /nfs/dbraw/zinc/68/70/51/411687051.db2.gz BEUIVEYCDVEITE-UHFFFAOYSA-N -1 0 300.336 -0.447 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC000659060082 411688830 /nfs/dbraw/zinc/68/88/30/411688830.db2.gz XUFVTYSIYGLHBL-UHFFFAOYSA-N -1 0 306.278 -0.933 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)c2cnn(C)c2SC)[n-]n1 ZINC000650818538 411690270 /nfs/dbraw/zinc/69/02/70/411690270.db2.gz OLAZALNYUAOUPO-UHFFFAOYSA-N -1 0 306.351 -0.034 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@H]2CCCN2C(=O)C(C)C)[n-]n1 ZINC000650816356 411690405 /nfs/dbraw/zinc/69/04/05/411690405.db2.gz SUZHDLPTFLCNLF-NSHDSACASA-N -1 0 319.365 -0.156 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)CCc2cnn(C)c2C)[n-]n1 ZINC000650817937 411690935 /nfs/dbraw/zinc/69/09/35/411690935.db2.gz RSXXNOPYFDPUPN-UHFFFAOYSA-N -1 0 302.338 -0.129 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)[n-]n1 ZINC000650818909 411691016 /nfs/dbraw/zinc/69/10/16/411691016.db2.gz BBUYSRWCNHYQBE-VHSXEESVSA-N -1 0 300.322 -0.266 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)CCNC(=O)C(C)(C)C)[n-]n1 ZINC000650814894 411691024 /nfs/dbraw/zinc/69/10/24/411691024.db2.gz AVXPEURIWFLCJZ-UHFFFAOYSA-N -1 0 307.354 -0.251 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)Cn2nnnc2C(C)C)[n-]n1 ZINC000650817935 411691092 /nfs/dbraw/zinc/69/10/92/411691092.db2.gz RQUCTENIKZCVNX-UHFFFAOYSA-N -1 0 304.314 -0.993 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@H](NC(C)=O)C2CCCC2)[n-]n1 ZINC000650815581 411691289 /nfs/dbraw/zinc/69/12/89/411691289.db2.gz WQHDOARSXQQYGN-CYBMUJFWSA-N -1 0 319.365 -0.109 20 0 DBADRM O=C([O-])[C@H]1CCCCN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000653278498 411701228 /nfs/dbraw/zinc/70/12/28/411701228.db2.gz ZMQOHWGFMZMZNQ-SNVBAGLBSA-N -1 0 308.338 -0.153 20 0 DBADRM Cc1nc(CNC(=O)C2(n3cnnn3)CC2)sc1C(=O)[O-] ZINC000659143954 411729639 /nfs/dbraw/zinc/72/96/39/411729639.db2.gz XTDCCBDLLRKVLM-UHFFFAOYSA-N -1 0 308.323 -0.058 20 0 DBADRM O=C([O-])C(=O)N1CCN(Cc2nc(-c3ccccn3)no2)CC1 ZINC000396648013 411729818 /nfs/dbraw/zinc/72/98/18/411729818.db2.gz MKQQTNIYSLVKGL-UHFFFAOYSA-N -1 0 317.305 -0.140 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)/N=c1\[n-]nc2ccccn21 ZINC000041837311 411737816 /nfs/dbraw/zinc/73/78/16/411737816.db2.gz LPNJRUFXYSPJDK-SNVBAGLBSA-N -1 0 323.378 -0.096 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCCC1)[C@H]1CCCS(=O)(=O)C1 ZINC000651353509 411737949 /nfs/dbraw/zinc/73/79/49/411737949.db2.gz JUTILRNCGOPYRO-VIFPVBQESA-N -1 0 313.383 -0.090 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC000653311659 411738550 /nfs/dbraw/zinc/73/85/50/411738550.db2.gz YODFCHPIRGWQKS-LLVKDONJSA-N -1 0 320.349 -0.193 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CC1(n2cnnn2)CCOCC1 ZINC000659152778 411742334 /nfs/dbraw/zinc/74/23/34/411742334.db2.gz DFLAHQNXCGFLGN-MNOVXSKESA-N -1 0 323.353 -0.062 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Nc2nncs2)[C@H](C(=O)[O-])C1 ZINC000565870475 411747494 /nfs/dbraw/zinc/74/74/94/411747494.db2.gz NRUXGZQWAYSLGR-BQBZGAKWSA-N -1 0 314.323 0.408 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)NCCNc2ccccn2)[n-]1 ZINC000651497094 411751217 /nfs/dbraw/zinc/75/12/17/411751217.db2.gz UZJGFSFZUVJWFJ-UHFFFAOYSA-N -1 0 317.353 -0.157 20 0 DBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2ccn3nnnc3c2)C1 ZINC000659160276 411752606 /nfs/dbraw/zinc/75/26/06/411752606.db2.gz IFZNGBKNEIGDLI-VHSXEESVSA-N -1 0 305.294 -0.172 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652055495 411753542 /nfs/dbraw/zinc/75/35/42/411753542.db2.gz DBPCIELRPRPKFK-UWVGGRQHSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 ZINC000652066486 411753693 /nfs/dbraw/zinc/75/36/93/411753693.db2.gz LTHRQPSWYQDCFW-JTQLQIEISA-N -1 0 314.319 -0.220 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652069589 411754213 /nfs/dbraw/zinc/75/42/13/411754213.db2.gz RNMLBRLAPJMREB-IMSYWVGJSA-N -1 0 302.352 -0.610 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652126149 411759206 /nfs/dbraw/zinc/75/92/06/411759206.db2.gz WELQGCBLTBAIPZ-VHSXEESVSA-N -1 0 318.395 -0.117 20 0 DBADRM CCN1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C[C@H]1C ZINC000651636932 411765173 /nfs/dbraw/zinc/76/51/73/411765173.db2.gz XUUUEEZFGDDKBF-LLVKDONJSA-N -1 0 308.386 -0.228 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@@H]2C[C@@H](C)O)[n-]1 ZINC000651634740 411765551 /nfs/dbraw/zinc/76/55/51/411765551.db2.gz AHIMLADBSOZGRX-GHMZBOCLSA-N -1 0 309.370 -0.019 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N(C)C[C@@H]2CCC[C@H]2O)[n-]1 ZINC000651637638 411766675 /nfs/dbraw/zinc/76/66/75/411766675.db2.gz XRCYAUKZRRXGDA-WDEREUQCSA-N -1 0 309.370 -0.161 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)[n-]1 ZINC000651734854 411772555 /nfs/dbraw/zinc/77/25/55/411772555.db2.gz WYRQXWPAARWDGV-MRVPVSSYSA-N -1 0 317.296 -0.552 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C)[C@H](C)[C@H]2C)[n-]1 ZINC000651734929 411772602 /nfs/dbraw/zinc/77/26/02/411772602.db2.gz ZBAKJNAEEROPQF-GHMZBOCLSA-N -1 0 308.386 -0.230 20 0 DBADRM CC[C@@]1(CO)CCCN1C(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651740574 411772635 /nfs/dbraw/zinc/77/26/35/411772635.db2.gz FAHIUXXSRMFAQD-AWEZNQCLSA-N -1 0 309.370 -0.017 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N[C@H](CO)C2CCCC2)[n-]1 ZINC000651814924 411777452 /nfs/dbraw/zinc/77/74/52/411777452.db2.gz PZMUIMWZTWTBCV-LLVKDONJSA-N -1 0 309.370 -0.113 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)NC[C@]2(O)CCC[C@@H]2C)[n-]1 ZINC000651827200 411777595 /nfs/dbraw/zinc/77/75/95/411777595.db2.gz XYUARIKLXKENPU-IINYFYTJSA-N -1 0 309.370 -0.113 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000659180132 411790696 /nfs/dbraw/zinc/79/06/96/411790696.db2.gz PYLDXUOCKIVHPP-UHFFFAOYSA-N -1 0 320.367 -0.982 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665302576 411722601 /nfs/dbraw/zinc/72/26/01/411722601.db2.gz VMXCHCDWLYZACJ-SNVBAGLBSA-N -1 0 321.399 -0.274 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000653304838 411725929 /nfs/dbraw/zinc/72/59/29/411725929.db2.gz YQRSMWNZYSOFOR-KXUCPTDWSA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)[O-])C2CC2)C1 ZINC000054503888 411863883 /nfs/dbraw/zinc/86/38/83/411863883.db2.gz OBASYSLVJNBJAC-UWVGGRQHSA-N -1 0 304.368 -0.363 20 0 DBADRM COCC[N@@H+]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 ZINC000652927050 411864338 /nfs/dbraw/zinc/86/43/38/411864338.db2.gz WVUXFNHSNFPPON-JTQLQIEISA-N -1 0 312.370 -0.846 20 0 DBADRM CC(C)c1n[n-]c(=NC(=O)c2nc(N)nc(N(C)C)n2)s1 ZINC000552917700 411801896 /nfs/dbraw/zinc/80/18/96/411801896.db2.gz FXGDQUPWPVKOGE-UHFFFAOYSA-N -1 0 308.371 0.169 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1C(=O)[O-] ZINC000652655906 411810657 /nfs/dbraw/zinc/81/06/57/411810657.db2.gz PDQBAPADNYVXEK-ZIQFBCGOSA-N -1 0 310.350 -0.008 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000653339728 411814337 /nfs/dbraw/zinc/81/43/37/411814337.db2.gz RZLQTXSFEMHDDA-VIFPVBQESA-N -1 0 307.310 -0.548 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N(C)[C@@H](CC)C(=O)[O-] ZINC000653341338 411815506 /nfs/dbraw/zinc/81/55/06/411815506.db2.gz BIOWXNGERPXRND-VIFPVBQESA-N -1 0 310.372 -0.736 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCc2nccn2C1)[C@H](C)C(=O)[O-] ZINC000655540209 411816698 /nfs/dbraw/zinc/81/66/98/411816698.db2.gz XEWHUIYSIHIXGH-ZYHUDNBSSA-N -1 0 322.365 -0.117 20 0 DBADRM CN1CCC[C@H](NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1=O ZINC000659396564 411821186 /nfs/dbraw/zinc/82/11/86/411821186.db2.gz DARRXWNJQGSUQK-ISTVAULSSA-N -1 0 311.338 -0.650 20 0 DBADRM CC(C)NC(=O)CCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659394268 411821284 /nfs/dbraw/zinc/82/12/84/411821284.db2.gz QOQNNWSSRJGFOW-QMTHXVAHSA-N -1 0 313.354 -0.356 20 0 DBADRM O=C([O-])CN(CC1CC1)C(=O)c1ccc(-n2cnnn2)cn1 ZINC000655556947 411833064 /nfs/dbraw/zinc/83/30/64/411833064.db2.gz RHQUYDPUYYFPHR-UHFFFAOYSA-N -1 0 302.294 -0.006 20 0 DBADRM C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000655559784 411833895 /nfs/dbraw/zinc/83/38/95/411833895.db2.gz QVLHFABLNKQYSI-QMMMGPOBSA-N -1 0 318.326 -0.059 20 0 DBADRM COc1cc(C(=O)NC[C@@H](C)C(=O)[O-])sc1S(N)(=O)=O ZINC000655561044 411834700 /nfs/dbraw/zinc/83/47/00/411834700.db2.gz ZLLLYFYSZKFJLF-RXMQYKEDSA-N -1 0 322.364 -0.145 20 0 DBADRM CC(C)[C@H](CNC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-] ZINC000655569320 411834930 /nfs/dbraw/zinc/83/49/30/411834930.db2.gz AFANKSXXDJEABK-VIFPVBQESA-N -1 0 311.342 -0.547 20 0 DBADRM Cc1nc(C(=O)NC[C@H](C(=O)[O-])C(C)C)nn1-c1nc[nH]n1 ZINC000655565482 411834940 /nfs/dbraw/zinc/83/49/40/411834940.db2.gz XPOWEJPPLBKLNV-QMMMGPOBSA-N -1 0 307.314 -0.220 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655568463 411835068 /nfs/dbraw/zinc/83/50/68/411835068.db2.gz KPGSEEWYHQEACP-NSHDSACASA-N -1 0 315.370 -0.508 20 0 DBADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)C1(n2cnnn2)CCOCC1 ZINC000659243966 411836149 /nfs/dbraw/zinc/83/61/49/411836149.db2.gz XLHMKXDPXBMLCO-ZWNOBZJWSA-N -1 0 323.353 -0.062 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)[C@H](O)C1CCOCC1 ZINC000655598356 411836902 /nfs/dbraw/zinc/83/69/02/411836902.db2.gz IKADYCHIZQDGEE-CHWSQXEVSA-N -1 0 308.334 -0.019 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000655596995 411836988 /nfs/dbraw/zinc/83/69/88/411836988.db2.gz MUZWWCYFFMGHCB-JTQLQIEISA-N -1 0 315.351 -0.915 20 0 DBADRM CN(CC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-])S(C)(=O)=O ZINC000655599123 411837030 /nfs/dbraw/zinc/83/70/30/411837030.db2.gz JZNIGOMLLCFXBY-JTQLQIEISA-N -1 0 315.351 -0.915 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000652796824 411838970 /nfs/dbraw/zinc/83/89/70/411838970.db2.gz NQJJXPZOMZUISW-IAQIWYKVSA-N -1 0 303.278 -0.570 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1COCCO1)C(=O)[O-] ZINC000659660417 411859113 /nfs/dbraw/zinc/85/91/13/411859113.db2.gz AAUXIGKBJDGIHL-MNOVXSKESA-N -1 0 316.354 -0.667 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000659658816 411859118 /nfs/dbraw/zinc/85/91/18/411859118.db2.gz NKGATEONEWHBAS-SSDOTTSWSA-N -1 0 312.244 -0.243 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1(F)F ZINC000659662739 411859564 /nfs/dbraw/zinc/85/95/64/411859564.db2.gz BPJJUJCKOXOWMV-RDDDGLTNSA-N -1 0 306.265 -0.540 20 0 DBADRM CO[C@H](C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC000659761317 411886438 /nfs/dbraw/zinc/88/64/38/411886438.db2.gz FRRMCFORZBFZGJ-DLOVCJGASA-N -1 0 316.354 -0.524 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000659773178 411888070 /nfs/dbraw/zinc/88/80/70/411888070.db2.gz OYUPHATWADVJDE-MNOVXSKESA-N -1 0 313.331 -0.073 20 0 DBADRM CCN(C(=O)c1ccc(S(=O)(=O)NC)nc1)[C@@H](C)C(=O)[O-] ZINC000659770997 411888128 /nfs/dbraw/zinc/88/81/28/411888128.db2.gz QIDNXKRPUJKJSW-QMMMGPOBSA-N -1 0 315.351 -0.075 20 0 DBADRM CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)[C@@H](C)C(=O)[O-] ZINC000659777575 411889411 /nfs/dbraw/zinc/88/94/11/411889411.db2.gz WPZZGUPNKMUMCP-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000659199502 411897281 /nfs/dbraw/zinc/89/72/81/411897281.db2.gz SMMQNRKPXCYXTN-NXEZZACHSA-N -1 0 306.384 -0.020 20 0 DBADRM CCc1n[n-]c(=NC(=O)N2CCN(Cc3nc[nH]n3)CC2)s1 ZINC000649938461 411924640 /nfs/dbraw/zinc/92/46/40/411924640.db2.gz JXDMFFQZHBCPGI-UHFFFAOYSA-N -1 0 322.398 -0.010 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)CC1=O ZINC000402821087 411930429 /nfs/dbraw/zinc/93/04/29/411930429.db2.gz MJFIGGMNDQMXLM-JOYOIKCWSA-N -1 0 324.337 -0.843 20 0 DBADRM CN=c1[n-]nc(CC(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)s1 ZINC000653006481 411870582 /nfs/dbraw/zinc/87/05/82/411870582.db2.gz SDLDXENLCKGBQO-RKDXNWHRSA-N -1 0 312.395 -0.051 20 0 DBADRM CNC(=O)c1cccc(OCC(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000653558217 411879254 /nfs/dbraw/zinc/87/92/54/411879254.db2.gz RWBFHKMCMGLQSR-LBPRGKRZSA-N -1 0 322.317 -0.263 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-]CC(F)(F)CO)[C@H]1CCOC1 ZINC000656963832 412019109 /nfs/dbraw/zinc/01/91/09/412019109.db2.gz SLPPUXNIUSPPKZ-DTWKUNHWSA-N -1 0 303.327 -0.415 20 0 DBADRM Cc1nn(CC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c(=O)n1C ZINC000655058600 411965333 /nfs/dbraw/zinc/96/53/33/411965333.db2.gz RNXFFBHFTHGMCQ-VIFPVBQESA-N -1 0 321.341 -0.880 20 0 DBADRM CC(C)[C@H](CNC(=O)NCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000655868472 411974833 /nfs/dbraw/zinc/97/48/33/411974833.db2.gz RHOAPCROPUZLLO-QMMMGPOBSA-N -1 0 300.315 -0.806 20 0 DBADRM CCN(CCCNC(=O)NC[C@H](C)C(=O)[O-])S(C)(=O)=O ZINC000655862490 411975343 /nfs/dbraw/zinc/97/53/43/411975343.db2.gz FZCSCSQETFASDZ-VIFPVBQESA-N -1 0 309.388 -0.322 20 0 DBADRM C[C@H](CNC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000655875041 411975383 /nfs/dbraw/zinc/97/53/83/411975383.db2.gz UNPDJCQEDVVUCI-BBBLOLIVSA-N -1 0 301.343 -0.358 20 0 DBADRM CC(C)[C@H](CNC(=O)NCC1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000655877294 411975633 /nfs/dbraw/zinc/97/56/33/411975633.db2.gz WHLACGLQJQMPLS-JTQLQIEISA-N -1 0 321.399 -0.466 20 0 DBADRM CC(C)[C@H](CNC(=O)NCCNC(=O)c1ccn[nH]1)C(=O)[O-] ZINC000655872778 411975776 /nfs/dbraw/zinc/97/57/76/411975776.db2.gz CQOMCYCOLRFHFM-VIFPVBQESA-N -1 0 311.342 -0.205 20 0 DBADRM C[C@H](CNC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1)C(=O)[O-] ZINC000655881032 411975785 /nfs/dbraw/zinc/97/57/85/411975785.db2.gz FQJYLLZJHVKGAZ-ZJUUUORDSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@H](CNC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000655875045 411975974 /nfs/dbraw/zinc/97/59/74/411975974.db2.gz UNPDJCQEDVVUCI-OPRDCNLKSA-N -1 0 301.343 -0.358 20 0 DBADRM C[C@@H](CNC(=O)N1CCCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000655888422 411975980 /nfs/dbraw/zinc/97/59/80/411975980.db2.gz KOFWHAYJCUILGP-VIFPVBQESA-N -1 0 307.372 -0.616 20 0 DBADRM CC(C)[C@H](CNC(=O)NCCCn1cc(CO)nn1)C(=O)[O-] ZINC000655896398 411976084 /nfs/dbraw/zinc/97/60/84/411976084.db2.gz LUGXOHGMPKATBL-NSHDSACASA-N -1 0 313.358 -0.184 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)C(=O)[O-] ZINC000655894901 411976259 /nfs/dbraw/zinc/97/62/59/411976259.db2.gz OGLYCGJGUSJTDP-IUCAKERBSA-N -1 0 312.326 -0.711 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655885589 411976288 /nfs/dbraw/zinc/97/62/88/411976288.db2.gz RULYTUHJGQLERL-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000655887492 411976465 /nfs/dbraw/zinc/97/64/65/411976465.db2.gz AILQZTNOVGYBQM-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H](CNC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000655877207 411976527 /nfs/dbraw/zinc/97/65/27/411976527.db2.gz YFYLHEUTSXLQOH-BBBLOLIVSA-N -1 0 321.399 -0.276 20 0 DBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)NC[C@H](C)C(=O)[O-] ZINC000655876021 411976616 /nfs/dbraw/zinc/97/66/16/411976616.db2.gz IRZOFSLANGVFMM-GARJFASQSA-N -1 0 304.343 -0.173 20 0 DBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655876023 411976635 /nfs/dbraw/zinc/97/66/35/411976635.db2.gz IRZOFSLANGVFMM-GMTAPVOTSA-N -1 0 304.343 -0.173 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000655888938 411976652 /nfs/dbraw/zinc/97/66/52/411976652.db2.gz PKUPWBGOXYHBNO-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)(C)n1nnc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC000655881633 411976806 /nfs/dbraw/zinc/97/68/06/411976806.db2.gz CIWBDMFZCFQKGJ-QMMMGPOBSA-N -1 0 312.330 -0.577 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000655940330 411979673 /nfs/dbraw/zinc/97/96/73/411979673.db2.gz RLIVELXMYSAYER-QMMMGPOBSA-N -1 0 319.317 -0.252 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc(C(N)=O)c1 ZINC000655938882 411980213 /nfs/dbraw/zinc/98/02/13/411980213.db2.gz GZTYWFIUCAYNOQ-QMMMGPOBSA-N -1 0 307.306 -0.131 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1cccc2c1oc(=O)n2C)C(=O)[O-] ZINC000655939140 411980655 /nfs/dbraw/zinc/98/06/55/411980655.db2.gz CDDZZTSLMTWUCI-SSDOTTSWSA-N -1 0 321.289 -0.093 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCCOC[C@@H]1CCCO1)C(=O)[O-] ZINC000655978876 411981731 /nfs/dbraw/zinc/98/17/31/411981731.db2.gz WGMZMPUIAVGWQF-QWRGUYRKSA-N -1 0 316.354 -0.475 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCc1cnn(C)c1)C(=O)[O-] ZINC000655980047 411982430 /nfs/dbraw/zinc/98/24/30/411982430.db2.gz BWRJBGTZZZRFMT-LLVKDONJSA-N -1 0 310.354 -0.448 20 0 DBADRM CCN(CC)C(=O)CCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655979952 411982484 /nfs/dbraw/zinc/98/24/84/411982484.db2.gz ANXZYYHGIDANLL-JTQLQIEISA-N -1 0 315.370 -0.412 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655981942 411982488 /nfs/dbraw/zinc/98/24/88/411982488.db2.gz QBLAFCPNHLILLT-VIFPVBQESA-N -1 0 301.343 -0.898 20 0 DBADRM C[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1nnc2ccccn21 ZINC000655979017 411982500 /nfs/dbraw/zinc/98/25/00/411982500.db2.gz WWFMEXQNMANRMP-DTWKUNHWSA-N -1 0 319.321 -0.257 20 0 DBADRM Cc1nccn1CCCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655987420 411983083 /nfs/dbraw/zinc/98/30/83/411983083.db2.gz LFSXIWKCUWXFDV-JTQLQIEISA-N -1 0 310.354 -0.075 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)[O-] ZINC000655995115 411983132 /nfs/dbraw/zinc/98/31/32/411983132.db2.gz XLNPAOQKYPZZFT-LMLFDSFASA-N -1 0 310.350 -0.103 20 0 DBADRM CCNC(=O)C1(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])CCC1 ZINC000655994202 411983265 /nfs/dbraw/zinc/98/32/65/411983265.db2.gz OFNLBSRYVLONKW-SECBINFHSA-N -1 0 313.354 -0.754 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCn2ccnc2C1)C(=O)[O-] ZINC000655992608 411983278 /nfs/dbraw/zinc/98/32/78/411983278.db2.gz CFILNCMVENIQIF-MNOVXSKESA-N -1 0 322.365 -0.213 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000655986354 411983312 /nfs/dbraw/zinc/98/33/12/411983312.db2.gz CIKFAPABRWIMGF-IUCAKERBSA-N -1 0 322.383 -0.991 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCCO[C@H]1CCOC1)C(=O)[O-] ZINC000655991357 411983568 /nfs/dbraw/zinc/98/35/68/411983568.db2.gz LUGFIWGQFRUBPN-ZJUUUORDSA-N -1 0 302.327 -0.865 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000655986356 411983593 /nfs/dbraw/zinc/98/35/93/411983593.db2.gz CIKFAPABRWIMGF-RKDXNWHRSA-N -1 0 322.383 -0.991 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C)C(=O)[O-] ZINC000656000051 411983802 /nfs/dbraw/zinc/98/38/02/411983802.db2.gz QTMUYHNCEOBMDB-GXSJLCMTSA-N -1 0 324.337 -0.843 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCCO[C@H]1CCOC1)C(=O)[O-] ZINC000655991355 411983923 /nfs/dbraw/zinc/98/39/23/411983923.db2.gz LUGFIWGQFRUBPN-UWVGGRQHSA-N -1 0 302.327 -0.865 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-])n1 ZINC000655998123 411985221 /nfs/dbraw/zinc/98/52/21/411985221.db2.gz OWURBIWIRNDCAZ-UHFFFAOYSA-N -1 0 312.326 -0.046 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C[C@H](C)O1 ZINC000655999725 411985324 /nfs/dbraw/zinc/98/53/24/411985324.db2.gz IZWHGBIGFYYGLW-UTLUCORTSA-N -1 0 302.327 -0.914 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@@H](c2nccn2C)C1)C(=O)[O-] ZINC000656001391 411985704 /nfs/dbraw/zinc/98/57/04/411985704.db2.gz GTJMSKDINWXNCQ-VHSXEESVSA-N -1 0 308.338 -0.427 20 0 DBADRM CCOCCO[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000655999536 411985765 /nfs/dbraw/zinc/98/57/65/411985765.db2.gz HCKIFRRULNEAEP-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@H](Cn2ccnn2)C1)C(=O)[O-] ZINC000656001141 411985858 /nfs/dbraw/zinc/98/58/58/411985858.db2.gz ZKDDHKZSDLNAOU-QWRGUYRKSA-N -1 0 323.353 -0.646 20 0 DBADRM CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000656002008 411985912 /nfs/dbraw/zinc/98/59/12/411985912.db2.gz RIZIMCCUSRPOKS-ZJUUUORDSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@](C)(O)C1)C(=O)[O-] ZINC000656010868 411986506 /nfs/dbraw/zinc/98/65/06/411986506.db2.gz GSBDHUGTLZESDT-YGRLFVJLSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)O)C1)C(=O)[O-] ZINC000656007510 411986651 /nfs/dbraw/zinc/98/66/51/411986651.db2.gz GWPOLRJOVYOIHP-VWYCJHECSA-N -1 0 316.354 -0.932 20 0 DBADRM CNC(=O)CCCN(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000656010728 411986791 /nfs/dbraw/zinc/98/67/91/411986791.db2.gz PTIXZYWDNNVSRA-JTQLQIEISA-N -1 0 315.370 -0.556 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC(C)(O)CC1)C(=O)[O-] ZINC000656013978 411986889 /nfs/dbraw/zinc/98/68/89/411986889.db2.gz TWZUBAKFWMJFCM-SNVBAGLBSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CCO)C(=O)[O-] ZINC000656007786 411986938 /nfs/dbraw/zinc/98/69/38/411986938.db2.gz MUBXHQSFVCZJRJ-WDEREUQCSA-N -1 0 300.355 -0.167 20 0 DBADRM CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])[C@H](C)CS(C)(=O)=O ZINC000656007980 411986970 /nfs/dbraw/zinc/98/69/70/411986970.db2.gz PESKGBPUQPLODG-RKDXNWHRSA-N -1 0 322.383 -0.895 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@]1(C)CO)C(=O)[O-] ZINC000656011953 411987044 /nfs/dbraw/zinc/98/70/44/411987044.db2.gz VSGNDIJOKHDOAL-YGRLFVJLSA-N -1 0 300.355 -0.167 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000656014468 411988982 /nfs/dbraw/zinc/98/89/82/411988982.db2.gz UXLBXHDFHMXXPM-YGRLFVJLSA-N -1 0 300.355 -0.167 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@H](CCF)C(=O)[O-] ZINC000656162102 411997059 /nfs/dbraw/zinc/99/70/59/411997059.db2.gz BSDGOLFHHYWRCC-SECBINFHSA-N -1 0 316.351 -0.772 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])cn1 ZINC000656163278 411997637 /nfs/dbraw/zinc/99/76/37/411997637.db2.gz TXZSLIYRRKMVAB-VIFPVBQESA-N -1 0 309.319 -0.379 20 0 DBADRM Cn1cnnc1N1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000656179791 411999395 /nfs/dbraw/zinc/99/93/95/411999395.db2.gz DGCGXXISNDPKBF-UHFFFAOYSA-N -1 0 317.371 -0.868 20 0 DBADRM CC(C)(C)n1nnc(CNS(=O)(=O)CCCC(=O)[O-])n1 ZINC000656179771 411999595 /nfs/dbraw/zinc/99/95/95/411999595.db2.gz CKCSAMOBQIZCKX-UHFFFAOYSA-N -1 0 305.360 -0.288 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC000656247330 412001184 /nfs/dbraw/zinc/00/11/84/412001184.db2.gz IIQPQOSWFWXJIQ-VHSXEESVSA-N -1 0 309.326 -0.904 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)CCc1ccc(F)cc1)C(=O)[O-] ZINC000656509745 412007081 /nfs/dbraw/zinc/00/70/81/412007081.db2.gz XQLOCSZCZSRQHA-JTQLQIEISA-N -1 0 318.326 -0.384 20 0 DBADRM CC(C)(C)n1nnc(CNC(=O)C[C@@]2(C(=O)[O-])CCOC2)n1 ZINC000656483835 412007128 /nfs/dbraw/zinc/00/71/28/412007128.db2.gz GQDSNDVCTDEPKJ-ZDUSSCGKSA-N -1 0 311.342 -0.074 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)CCc1ccc(F)cc1)C(=O)[O-] ZINC000656509746 412007138 /nfs/dbraw/zinc/00/71/38/412007138.db2.gz XQLOCSZCZSRQHA-SNVBAGLBSA-N -1 0 318.326 -0.384 20 0 DBADRM COC1CCN(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])CC1 ZINC000656515557 412007193 /nfs/dbraw/zinc/00/71/93/412007193.db2.gz UMDZLQYOHLWDML-JTQLQIEISA-N -1 0 308.356 -0.873 20 0 DBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1 ZINC000656508951 412007310 /nfs/dbraw/zinc/00/73/10/412007310.db2.gz GGNWHJOCGANLTN-SNVBAGLBSA-N -1 0 316.335 -0.792 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)CCc1ccccc1F)C(=O)[O-] ZINC000656509463 412007778 /nfs/dbraw/zinc/00/77/78/412007778.db2.gz UKNZYYBWMUPYTO-JTQLQIEISA-N -1 0 318.326 -0.384 20 0 DBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)c1 ZINC000656509158 412007870 /nfs/dbraw/zinc/00/78/70/412007870.db2.gz NCALXJSTQWHVEI-XVKPBYJWSA-N -1 0 316.335 -0.794 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)C[C@@H]1CCCCO1)C2 ZINC000656561195 412008457 /nfs/dbraw/zinc/00/84/57/412008457.db2.gz DMJJFXWYEXYGTM-NTZNESFSSA-N -1 0 319.379 -0.082 20 0 DBADRM CCCCN(C)S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656563173 412008827 /nfs/dbraw/zinc/00/88/27/412008827.db2.gz ZNHMUCWVSGUFQX-ZYHUDNBSSA-N -1 0 306.384 -0.004 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC000656562576 412008899 /nfs/dbraw/zinc/00/88/99/412008899.db2.gz LAZMTKTXUSVNDT-GMTAPVOTSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656562444 412008931 /nfs/dbraw/zinc/00/89/31/412008931.db2.gz QFCPITXWKKIZLV-IRUJWGPZSA-N -1 0 318.395 -0.006 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC[C@@](C)(O)C(=O)[O-])C1CCCC1 ZINC000656561817 412009058 /nfs/dbraw/zinc/00/90/58/412009058.db2.gz FHTGPNXILJHQQD-CMPLNLGQSA-N -1 0 309.384 -0.053 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656562086 412009549 /nfs/dbraw/zinc/00/95/49/412009549.db2.gz MPFJAZBWSYFSTO-ZYHUDNBSSA-N -1 0 304.368 -0.394 20 0 DBADRM COC[C@](C)(NC(=O)NC[C@@H](OC)[C@@H]1CCOC1)C(=O)[O-] ZINC000656586325 412010175 /nfs/dbraw/zinc/01/01/75/412010175.db2.gz NLMWGIHKMKPXII-BREBYQMCSA-N -1 0 304.343 -0.173 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NC[C@@H](OC)[C@H]1CCOC1 ZINC000656585966 412010531 /nfs/dbraw/zinc/01/05/31/412010531.db2.gz HSEQLYJMIWKAPT-WDEREUQCSA-N -1 0 304.343 -0.220 20 0 DBADRM COC[C@@H](CCNC(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1)OC ZINC000656589272 412010725 /nfs/dbraw/zinc/01/07/25/412010725.db2.gz ZQOQVUQIUCKKAB-MWLCHTKSSA-N -1 0 314.342 -0.104 20 0 DBADRM C[C@H]1C[C@@H](S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC000656564356 412010994 /nfs/dbraw/zinc/01/09/94/412010994.db2.gz KFZZMIBEFQBBEG-SRRSOLGSSA-N -1 0 319.379 -0.083 20 0 DBADRM COC1CCN(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)CC1 ZINC000656628535 412011224 /nfs/dbraw/zinc/01/12/24/412011224.db2.gz NYRVXDQINKHYMS-UHFFFAOYSA-N -1 0 303.344 -0.724 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656564554 412011248 /nfs/dbraw/zinc/01/12/48/412011248.db2.gz QSYMSMDCLAWKOC-BXKDBHETSA-N -1 0 307.368 -0.226 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@]1(C(=O)[O-])CCOC1)[C@H]1CCOC1 ZINC000656564689 412011255 /nfs/dbraw/zinc/01/12/55/412011255.db2.gz VGCBAEMVTUWKSX-HOSYDEDBSA-N -1 0 323.367 -0.799 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-]c1nc(N(C)C)n[nH]1)[C@H]1CCOC1 ZINC000656736453 412012028 /nfs/dbraw/zinc/01/20/28/412012028.db2.gz AHJMSVKRMITQJR-IUCAKERBSA-N -1 0 319.387 -0.336 20 0 DBADRM CO[C@H](CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@H]1CCOC1 ZINC000656719273 412012479 /nfs/dbraw/zinc/01/24/79/412012479.db2.gz URCUHIAKRIQCFP-GARJFASQSA-N -1 0 322.383 -0.579 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCO[C@@H]1CC1(F)F ZINC000656719289 412012537 /nfs/dbraw/zinc/01/25/37/412012537.db2.gz HOHGXEZOZWOXLP-SSDOTTSWSA-N -1 0 302.299 -0.349 20 0 DBADRM C[C@]12COC[C@@H]1CN(S(=O)(=O)c1n[nH]cc1C(=O)[O-])C2 ZINC000656733030 412012540 /nfs/dbraw/zinc/01/25/40/412012540.db2.gz ZKXWWVNRMNJWIH-CPCISQLKSA-N -1 0 301.324 -0.235 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000656716099 412012648 /nfs/dbraw/zinc/01/26/48/412012648.db2.gz FVEFTHRQDPYSJC-JTQLQIEISA-N -1 0 302.356 -0.205 20 0 DBADRM COC[C@H](CCNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)OC ZINC000656717303 412012692 /nfs/dbraw/zinc/01/26/92/412012692.db2.gz MRWYLDSVBUWNEM-QWRGUYRKSA-N -1 0 324.399 -0.331 20 0 DBADRM CO[C@@H](CNS(=O)(=O)N(C)CCC(=O)[O-])[C@@H]1CCOC1 ZINC000656719592 412012754 /nfs/dbraw/zinc/01/27/54/412012754.db2.gz ZDFISYSBKPMCBX-ZJUUUORDSA-N -1 0 310.372 -0.721 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]23)n1 ZINC000656852221 412014066 /nfs/dbraw/zinc/01/40/66/412014066.db2.gz WVFUPLQNTGUUEV-AEJSXWLSSA-N -1 0 321.337 -0.004 20 0 DBADRM O=C1NC(=O)N2CCN(S(=O)(=O)c3ccccc3[O-])C[C@@H]12 ZINC000656952278 412017958 /nfs/dbraw/zinc/01/79/58/412017958.db2.gz FWQNDGXPUJPKSX-QMMMGPOBSA-N -1 0 311.319 -0.683 20 0 DBADRM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccccc1[O-] ZINC000656952621 412017964 /nfs/dbraw/zinc/01/79/64/412017964.db2.gz ZEXUNHPASNBEFU-MRVPVSSYSA-N -1 0 302.377 -0.016 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)c1ccccc1[O-] ZINC000657001322 412022252 /nfs/dbraw/zinc/02/22/52/412022252.db2.gz KDTSMYWKBZUIPM-SECBINFHSA-N -1 0 322.408 -0.002 20 0 DBADRM CC(C)(C)[C@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C(N)=O ZINC000659056807 412076553 /nfs/dbraw/zinc/07/65/53/412076553.db2.gz BVOAYVDSYHWHTG-SECBINFHSA-N -1 0 322.321 -0.266 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCOCC2)n1 ZINC000659049763 412076855 /nfs/dbraw/zinc/07/68/55/412076855.db2.gz DBTDOHOUMJQBKB-UHFFFAOYSA-N -1 0 310.310 -0.500 20 0 DBADRM COCCOC1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659057932 412076930 /nfs/dbraw/zinc/07/69/30/412076930.db2.gz LDSNMZNBDBLRET-UHFFFAOYSA-N -1 0 323.305 -0.408 20 0 DBADRM C[C@@H]1C[C@H](O)CN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659058313 412076981 /nfs/dbraw/zinc/07/69/81/412076981.db2.gz MXIPNGCGLZMYQT-BDAKNGLRSA-N -1 0 324.337 -0.377 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659060746 412077218 /nfs/dbraw/zinc/07/72/18/412077218.db2.gz LUMCIZPHIJWRGN-NXEZZACHSA-N -1 0 323.305 -0.362 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCC[C@@](O)(CO)C1 ZINC000659060261 412077450 /nfs/dbraw/zinc/07/74/50/412077450.db2.gz KVJAUVKHPINFQZ-AWEZNQCLSA-N -1 0 323.305 -0.936 20 0 DBADRM CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659050554 412077477 /nfs/dbraw/zinc/07/74/77/412077477.db2.gz LYCFRWOFVHEPIS-UHFFFAOYSA-N -1 0 322.321 -0.299 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000659060647 412076301 /nfs/dbraw/zinc/07/63/01/412076301.db2.gz ANMVFHHQPXYSNA-UHFFFAOYSA-N -1 0 319.317 -0.156 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659054419 412076477 /nfs/dbraw/zinc/07/64/77/412076477.db2.gz AKMDQPWVMZSRNB-SSDOTTSWSA-N -1 0 308.294 -0.641 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])nn1 ZINC000659245379 412084047 /nfs/dbraw/zinc/08/40/47/412084047.db2.gz FIRDMOUETGSNIH-DTWKUNHWSA-N -1 0 309.326 -0.651 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n(C)n1 ZINC000659065863 412078162 /nfs/dbraw/zinc/07/81/62/412078162.db2.gz FDJFZVGAJHOASK-YMTOWFKASA-N -1 0 322.321 -0.773 20 0 DBADRM COCCOc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cn1 ZINC000659062434 412078222 /nfs/dbraw/zinc/07/82/22/412078222.db2.gz ICOQEYYEDGTTFS-MRVPVSSYSA-N -1 0 311.294 -0.365 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)C(=O)[O-] ZINC000659062187 412078574 /nfs/dbraw/zinc/07/85/74/412078574.db2.gz CATZINDMONPNSM-SSDOTTSWSA-N -1 0 321.289 -0.430 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccnc(OCCO)c2)C1 ZINC000659062049 412078660 /nfs/dbraw/zinc/07/86/60/412078660.db2.gz JCUNSALBBAMHDS-SECBINFHSA-N -1 0 323.305 -0.676 20 0 DBADRM Cc1ccncc1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659065996 412078814 /nfs/dbraw/zinc/07/88/14/412078814.db2.gz GERNIPNPDJAWOV-MEBBXXQBSA-N -1 0 319.317 -0.112 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc2c1CCN(C)C2=O)C(=O)[O-] ZINC000659061552 412078833 /nfs/dbraw/zinc/07/88/33/412078833.db2.gz WNYDGGXOJFKTLG-MRVPVSSYSA-N -1 0 319.317 -0.158 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C)C(=O)[O-] ZINC000659062410 412078834 /nfs/dbraw/zinc/07/88/34/412078834.db2.gz HEOFWHLOYWEIHL-SSDOTTSWSA-N -1 0 305.290 -0.267 20 0 DBADRM COC[C@@H](OC)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000659143918 412081064 /nfs/dbraw/zinc/08/10/64/412081064.db2.gz QBCXROMMMSJNQO-WDEREUQCSA-N -1 0 316.354 -0.571 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000659172034 412081161 /nfs/dbraw/zinc/08/11/61/412081161.db2.gz BWSGDPHPASTXOI-SCZZXKLOSA-N -1 0 308.356 -0.984 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000659174669 412081284 /nfs/dbraw/zinc/08/12/84/412081284.db2.gz ODFNTVYRLLZUQT-QPUJVOFHSA-N -1 0 306.274 -0.011 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)C2(n3cnnn3)CCOCC2)o1 ZINC000659134923 412081563 /nfs/dbraw/zinc/08/15/63/412081563.db2.gz XJKAPWJHMKFBRH-UHFFFAOYSA-N -1 0 321.293 -0.214 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccn2nnnc2c1 ZINC000659170711 412081624 /nfs/dbraw/zinc/08/16/24/412081624.db2.gz SSGXZDKWAZENKF-CYBMUJFWSA-N -1 0 305.294 -0.170 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000659143837 412081645 /nfs/dbraw/zinc/08/16/45/412081645.db2.gz OLXNLPWDACFESW-MEWQQHAOSA-N -1 0 310.350 -0.340 20 0 DBADRM CO[C@H]1CCN(C(=O)CS(=O)(=O)C(C)C)[C@@H](C(=O)[O-])C1 ZINC000659220431 412081914 /nfs/dbraw/zinc/08/19/14/412081914.db2.gz PARSDDAAZQCDHY-VHSXEESVSA-N -1 0 307.368 -0.100 20 0 DBADRM C[C@@H](CNC(=O)CC1(n2cnnn2)CCOCC1)CC(=O)[O-] ZINC000659144322 412081952 /nfs/dbraw/zinc/08/19/52/412081952.db2.gz GGOIXGBUENCGPF-SNVBAGLBSA-N -1 0 311.342 -0.204 20 0 DBADRM Cn1ncc(C2CC2)c1CNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000659199910 412082039 /nfs/dbraw/zinc/08/20/39/412082039.db2.gz UZMBVEFHBIZGPM-UHFFFAOYSA-N -1 0 304.310 -0.096 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCCCn1ccnn1)C2 ZINC000659403900 412086695 /nfs/dbraw/zinc/08/66/95/412086695.db2.gz OOCRSWYGPLTARS-ZWNOBZJWSA-N -1 0 309.326 -0.589 20 0 DBADRM CO[C@@]1(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCOC1 ZINC000659405011 412086972 /nfs/dbraw/zinc/08/69/72/412086972.db2.gz YCDVSSSYOFCUMU-LERXQTSPSA-N -1 0 314.338 -0.466 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)N[C@@H]1CC(=O)N(C3CC3)C1)C2 ZINC000659398063 412086983 /nfs/dbraw/zinc/08/69/83/412086983.db2.gz RYONJRORCWQJEF-IQMDTDKHSA-N -1 0 323.349 -0.508 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CCC1 ZINC000659420656 412087117 /nfs/dbraw/zinc/08/71/17/412087117.db2.gz JHHGWSHISJIJDV-MRVPVSSYSA-N -1 0 310.310 -0.813 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000659410099 412087144 /nfs/dbraw/zinc/08/71/44/412087144.db2.gz ONZPBTSJZXIQRC-QCLAVDOMSA-N -1 0 320.367 -0.649 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NC[C@H](C)C(=O)[O-])C[C@H]21 ZINC000659410737 412087160 /nfs/dbraw/zinc/08/71/60/412087160.db2.gz GMGDTNLONASIGP-QEYWKRMJSA-N -1 0 320.367 -0.840 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659405301 412087187 /nfs/dbraw/zinc/08/71/87/412087187.db2.gz GTZXSUUVEGFSML-ZHSDAYTOSA-N -1 0 314.338 -0.467 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)o1 ZINC000659396351 412087357 /nfs/dbraw/zinc/08/73/57/412087357.db2.gz CQVLGWZZCHXYML-XLKFXECMSA-N -1 0 323.305 -0.379 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000659411499 412087474 /nfs/dbraw/zinc/08/74/74/412087474.db2.gz NLUYBHYLFWLJRD-IVZWLZJFSA-N -1 0 322.383 -0.546 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659420221 412087690 /nfs/dbraw/zinc/08/76/90/412087690.db2.gz APSGNHFFKHAINK-SECBINFHSA-N -1 0 319.383 -0.426 20 0 DBADRM Cn1cnc(CCNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000659405296 412087851 /nfs/dbraw/zinc/08/78/51/412087851.db2.gz GQEAZBQUWRTDBI-QMTHXVAHSA-N -1 0 308.338 -0.295 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1cccs1)C2 ZINC000659645037 412096868 /nfs/dbraw/zinc/09/68/68/412096868.db2.gz UAIXQQLWWKHSFM-YMTOWFKASA-N -1 0 324.358 -0.076 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1ccccc1)C2 ZINC000659645312 412096993 /nfs/dbraw/zinc/09/69/93/412096993.db2.gz WSKFKFXJBHKBSG-MLGOLLRUSA-N -1 0 318.329 -0.138 20 0 DBADRM C[C@@H](CO)[C@H]1CCCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000659655465 412098537 /nfs/dbraw/zinc/09/85/37/412098537.db2.gz IZKBYZDODDUUHI-WDEREUQCSA-N -1 0 300.355 -0.023 20 0 DBADRM COCCOCCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659650293 412098692 /nfs/dbraw/zinc/09/86/92/412098692.db2.gz ZFJORSNZOGXQEH-UHFFFAOYSA-N -1 0 302.327 -0.863 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCCCn2ccnn2)CCC1 ZINC000659651945 412099229 /nfs/dbraw/zinc/09/92/29/412099229.db2.gz FWLVTZWTBNCBOT-UHFFFAOYSA-N -1 0 309.326 -0.845 20 0 DBADRM CCn1cc(CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])nn1 ZINC000659660933 412100170 /nfs/dbraw/zinc/10/01/70/412100170.db2.gz VJKWKYVYSPLIDZ-UHFFFAOYSA-N -1 0 311.342 -0.469 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)CO)C(=O)[O-] ZINC000659662066 412100294 /nfs/dbraw/zinc/10/02/94/412100294.db2.gz OZVGAVQIHBTDMJ-OUAUKWLOSA-N -1 0 300.355 -0.167 20 0 DBADRM COc1ccnc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1F ZINC000659661541 412100329 /nfs/dbraw/zinc/10/03/29/412100329.db2.gz JIFCOKXMIGRGEQ-ZETCQYMHSA-N -1 0 313.285 -0.318 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)nn1 ZINC000659665056 412100455 /nfs/dbraw/zinc/10/04/55/412100455.db2.gz UVCSAUINONOAMH-KOLCDFICSA-N -1 0 323.353 -0.517 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)CCO1 ZINC000659666444 412100904 /nfs/dbraw/zinc/10/09/04/412100904.db2.gz ZPMRGESTGRSRAQ-RHYQMDGZSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCCO[C@H]2CC2(F)F)CCC1 ZINC000659662948 412100916 /nfs/dbraw/zinc/10/09/16/412100916.db2.gz ILLPRSRRJHUHCW-QMMMGPOBSA-N -1 0 320.292 -0.102 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@@H]3OCC[C@@H]3C2)CCC1 ZINC000659670883 412101845 /nfs/dbraw/zinc/10/18/45/412101845.db2.gz QPDHERBNBAKAJZ-MNOVXSKESA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCCc2ccco2)CCO1 ZINC000659668717 412101855 /nfs/dbraw/zinc/10/18/55/412101855.db2.gz AFHLUGJGEQICAW-NSHDSACASA-N -1 0 310.306 -0.360 20 0 DBADRM C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659670721 412101866 /nfs/dbraw/zinc/10/18/66/412101866.db2.gz OGSKUDPFQOIDKA-GHMZBOCLSA-N -1 0 312.366 -0.023 20 0 DBADRM CN1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CCC1=O ZINC000659672035 412101898 /nfs/dbraw/zinc/10/18/98/412101898.db2.gz OIGRWQWDGDKPHN-UHFFFAOYSA-N -1 0 311.338 -0.952 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659669317 412102001 /nfs/dbraw/zinc/10/20/01/412102001.db2.gz SABZDDGDJLFNAZ-SECBINFHSA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)CCO1 ZINC000659762351 412122534 /nfs/dbraw/zinc/12/25/34/412122534.db2.gz FTSPDHJDYRGYFH-KXNHARMFSA-N -1 0 310.350 -0.007 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000659760078 412122664 /nfs/dbraw/zinc/12/26/64/412122664.db2.gz INAFRDIXOZYYPF-QWHCGFSZSA-N -1 0 307.306 -0.477 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CCCN1C(=O)CCC1=O)C2 ZINC000659778481 412122787 /nfs/dbraw/zinc/12/27/87/412122787.db2.gz ITAVXBIJJWWHQI-MEBBXXQBSA-N -1 0 324.333 -0.525 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)CC1(n2cnnn2)CCOCC1 ZINC000659766217 412123249 /nfs/dbraw/zinc/12/32/49/412123249.db2.gz JSMDOVPCDNSTND-SNVBAGLBSA-N -1 0 311.342 -0.110 20 0 DBADRM CS(=O)(=O)CCCC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659779551 412123834 /nfs/dbraw/zinc/12/38/34/412123834.db2.gz OQHHMPPZAZGMGR-BXKDBHETSA-N -1 0 305.352 -0.629 20 0 DBADRM CC(C)(C)CN(CC(=O)[O-])C(=O)Cn1ncn2nccc2c1=O ZINC000659781999 412124005 /nfs/dbraw/zinc/12/40/05/412124005.db2.gz VHXBJGOXZYKOQF-UHFFFAOYSA-N -1 0 321.337 -0.150 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C1(C(=O)NC3CC3)CC1)C2 ZINC000659778880 412124559 /nfs/dbraw/zinc/12/45/59/412124559.db2.gz CYOXXLUIRLUJLO-RFAUZJTJSA-N -1 0 308.334 -0.395 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000422716866 412181624 /nfs/dbraw/zinc/18/16/24/412181624.db2.gz KDNWHESULWQVHA-HGCLJGPKSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000422716869 412182219 /nfs/dbraw/zinc/18/22/19/412182219.db2.gz KDNWHESULWQVHA-ROHXPCBUSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000422716867 412182253 /nfs/dbraw/zinc/18/22/53/412182253.db2.gz KDNWHESULWQVHA-KQSJRHEJSA-N -1 0 310.350 -0.008 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nccc(N3CCOCC3)n1)C2 ZINC000662885949 412207705 /nfs/dbraw/zinc/20/77/05/412207705.db2.gz PGGGGHPTTKVVRM-IAQYHMDHSA-N -1 0 320.349 -0.149 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)[C@@H](Nc2cc(N3CCOCC3)ncn2)C1 ZINC000662896170 412208660 /nfs/dbraw/zinc/20/86/60/412208660.db2.gz KNEBUWYAYZCKHZ-GARJFASQSA-N -1 0 308.338 -0.051 20 0 DBADRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1ccc(C(=O)NCCO)nn1 ZINC000662892244 412208698 /nfs/dbraw/zinc/20/86/98/412208698.db2.gz CBLDPXWYLJWYQY-UWVGGRQHSA-N -1 0 308.338 -0.112 20 0 DBADRM CNS(=O)(=O)c1ccc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)nc1 ZINC000662897892 412208842 /nfs/dbraw/zinc/20/88/42/412208842.db2.gz YZJBBLMJIGAQDC-FXBDTBDDSA-N -1 0 315.351 -0.374 20 0 DBADRM CCN(C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C1CCC1 ZINC000662905735 412209143 /nfs/dbraw/zinc/20/91/43/412209143.db2.gz GLRMWPVIIKBNFE-MEBBXXQBSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@H]3CCC[C@H]31)C2 ZINC000662903738 412209375 /nfs/dbraw/zinc/20/93/75/412209375.db2.gz GHUUBYMOQXMTJA-DSZLRUIBSA-N -1 0 322.361 -0.053 20 0 DBADRM CC1=CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000662903387 412209397 /nfs/dbraw/zinc/20/93/97/412209397.db2.gz BAGJHHNTJSBKBU-IAQYHMDHSA-N -1 0 308.334 -0.275 20 0 DBADRM NS(=O)(=O)c1cnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)s1 ZINC000662886401 412209558 /nfs/dbraw/zinc/20/95/58/412209558.db2.gz XYWNHSPATKGBAF-LHLIQPBNSA-N -1 0 319.364 -0.672 20 0 DBADRM CC[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662904201 412209829 /nfs/dbraw/zinc/20/98/29/412209829.db2.gz PROGXWSCGVNIKP-JRPNMDOOSA-N -1 0 310.350 -0.053 20 0 DBADRM CC[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662905586 412209849 /nfs/dbraw/zinc/20/98/49/412209849.db2.gz DYWUAITWVFMNPC-UEKVPHQBSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@]1(C(F)F)CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC000662913522 412210603 /nfs/dbraw/zinc/21/06/03/412210603.db2.gz LZAPHXBBUFNQIM-OQPBUACISA-N -1 0 320.292 -0.198 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N(C)CC(=O)N1CCCC1)C(=O)[O-] ZINC000662910974 412211060 /nfs/dbraw/zinc/21/10/60/412211060.db2.gz BOZNMVYABYCLDQ-JTQLQIEISA-N -1 0 313.354 -0.754 20 0 DBADRM CN(CC(=O)N1CCCC1)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000662914338 412211496 /nfs/dbraw/zinc/21/14/96/412211496.db2.gz PZIJGCLAUAUPGU-SNVBAGLBSA-N -1 0 311.338 -1.000 20 0 DBADRM C[C@@]12COC[C@@H]1CN(C(=O)C(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC000662911395 412211521 /nfs/dbraw/zinc/21/15/21/412211521.db2.gz DNLHSDAHPRKTOZ-XHDPSFHLSA-N -1 0 310.350 -0.196 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000662914671 412212325 /nfs/dbraw/zinc/21/23/25/412212325.db2.gz TXPMFAMISUKMDE-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])CN1CC[C@H](N2C[C@@H](CO)Oc3ccccc32)C1=O ZINC000662207035 412170940 /nfs/dbraw/zinc/17/09/40/412170940.db2.gz UPSLKUOEOKTEQT-JQWIXIFHSA-N -1 0 306.318 -0.068 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NC2(C(=O)[O-])CCOCC2)C1=O ZINC000317076442 412260578 /nfs/dbraw/zinc/26/05/78/412260578.db2.gz ZITDCBLYSPDHNN-UHFFFAOYSA-N -1 0 313.310 -0.933 20 0 DBADRM CC(C)[C@H](CNC(=O)NCCC(=O)N1CCOCC1)C(=O)[O-] ZINC000317076889 412262204 /nfs/dbraw/zinc/26/22/04/412262204.db2.gz UUSDCQWIMLXJDD-NSHDSACASA-N -1 0 315.370 -0.109 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCNC(=O)C2CC2)CCOCC1 ZINC000317223505 412268039 /nfs/dbraw/zinc/26/80/39/412268039.db2.gz TYFLYAKGAGTDOD-UHFFFAOYSA-N -1 0 313.354 -0.307 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)n1 ZINC000583693261 412276981 /nfs/dbraw/zinc/27/69/81/412276981.db2.gz HXYSUMRUDJOBOT-WDEREUQCSA-N -1 0 308.338 0.267 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000663020407 412223379 /nfs/dbraw/zinc/22/33/79/412223379.db2.gz AWHLULDYOBDXPX-SNVBAGLBSA-N -1 0 319.383 -0.775 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000663022755 412223936 /nfs/dbraw/zinc/22/39/36/412223936.db2.gz NIMCWAHJEAICAV-SSDOTTSWSA-N -1 0 302.308 -0.218 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccn2nnnc2c1)[C@H](C)C(=O)[O-] ZINC000663027439 412223971 /nfs/dbraw/zinc/22/39/71/412223971.db2.gz TZAYZGQQTQDLOZ-MRVPVSSYSA-N -1 0 320.309 -0.824 20 0 DBADRM CC(C)C[C@@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663023916 412223974 /nfs/dbraw/zinc/22/39/74/412223974.db2.gz JSQYGXJVCDBKFQ-VHSXEESVSA-N -1 0 321.399 -0.483 20 0 DBADRM COCCN1CCCN(C(=O)[C@](C)(OC)C(=O)[O-])CC1=O ZINC000663050356 412224063 /nfs/dbraw/zinc/22/40/63/412224063.db2.gz TXBFBMZZYDOLIS-ZDUSSCGKSA-N -1 0 302.327 -0.817 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC000663047485 412224075 /nfs/dbraw/zinc/22/40/75/412224075.db2.gz DAOLNKOYRUHIBV-UWVGGRQHSA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC000663048795 412224161 /nfs/dbraw/zinc/22/41/61/412224161.db2.gz LSVIBZGRJLNYEC-LLVKDONJSA-N -1 0 318.395 -0.115 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000663024233 412224231 /nfs/dbraw/zinc/22/42/31/412224231.db2.gz CFIIIUDJYNYREI-SKDRFNHKSA-N -1 0 322.383 -0.955 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)[C@@](C)(OC)C(=O)[O-])CC1 ZINC000663041871 412224268 /nfs/dbraw/zinc/22/42/68/412224268.db2.gz OULRCPZQSBRECE-GFCCVEGCSA-N -1 0 322.383 -0.594 20 0 DBADRM CCCC[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663027219 412224286 /nfs/dbraw/zinc/22/42/86/412224286.db2.gz QYGRRLPNKPINGP-ZJUUUORDSA-N -1 0 321.399 -0.339 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1c(F)cccc1F)C(=O)[O-] ZINC000663027962 412224476 /nfs/dbraw/zinc/22/44/76/412224476.db2.gz ZPLXMKBYDHZUCG-GFCCVEGCSA-N -1 0 302.233 -0.145 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663050680 412224518 /nfs/dbraw/zinc/22/45/18/412224518.db2.gz KKHVQKFCFRORIF-NXEZZACHSA-N -1 0 304.368 -0.363 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@]2(c3ccccc3)CNC(=O)C2)CCO1 ZINC000663023612 412224622 /nfs/dbraw/zinc/22/46/22/412224622.db2.gz XEUORDIOWQETGE-WBMJQRKESA-N -1 0 318.329 -0.244 20 0 DBADRM CC(C)(CCNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663057177 412225143 /nfs/dbraw/zinc/22/51/43/412225143.db2.gz GLCVCHSJCZVHHW-SECBINFHSA-N -1 0 321.399 -0.481 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000663074394 412225566 /nfs/dbraw/zinc/22/55/66/412225566.db2.gz CYZPFKMCVAAUMY-IINYFYTJSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@]1(C2CCN(C(=O)[C@@H](C(=O)[O-])C3CC3)CC2)NC(=O)NC1=O ZINC000663063373 412225608 /nfs/dbraw/zinc/22/56/08/412225608.db2.gz QNARJPASSUFGBW-ZUZCIYMTSA-N -1 0 323.349 -0.066 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000663111426 412226241 /nfs/dbraw/zinc/22/62/41/412226241.db2.gz OGMCEIVCJGHSKX-QMTHXVAHSA-N -1 0 310.354 -0.005 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)[C@@](C)(OC)C(=O)[O-] ZINC000663080779 412226345 /nfs/dbraw/zinc/22/63/45/412226345.db2.gz XIASRWBSDRRENR-LLVKDONJSA-N -1 0 310.372 -0.736 20 0 DBADRM CCN(C(=O)C1CCN(S(N)(=O)=O)CC1)[C@H](C)C(=O)[O-] ZINC000663123825 412226359 /nfs/dbraw/zinc/22/63/59/412226359.db2.gz IVUKINSYFLFNFZ-MRVPVSSYSA-N -1 0 307.372 -0.777 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC000663081170 412226431 /nfs/dbraw/zinc/22/64/31/412226431.db2.gz UJZQJBMZSKLVHF-SNVBAGLBSA-N -1 0 319.383 -0.952 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000663088703 412226455 /nfs/dbraw/zinc/22/64/55/412226455.db2.gz MBKPVGRWMYZTKI-LBPRGKRZSA-N -1 0 304.368 -0.361 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000663100143 412226488 /nfs/dbraw/zinc/22/64/88/412226488.db2.gz GZXKKWVHSTXMST-PELKAZGASA-N -1 0 304.368 -0.363 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000663100146 412226530 /nfs/dbraw/zinc/22/65/30/412226530.db2.gz GZXKKWVHSTXMST-QPUJVOFHSA-N -1 0 304.368 -0.363 20 0 DBADRM CCN(C(=O)CCC(=O)NCCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000663123875 412226547 /nfs/dbraw/zinc/22/65/47/412226547.db2.gz GKEYJMAEAHNRMS-VIFPVBQESA-N -1 0 301.343 -0.660 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000663120657 412226807 /nfs/dbraw/zinc/22/68/07/412226807.db2.gz XWGAVHXHLGUMPT-DTWKUNHWSA-N -1 0 307.372 -0.777 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC000663101407 412226896 /nfs/dbraw/zinc/22/68/96/412226896.db2.gz OVBMOAJHTRYFPM-SECBINFHSA-N -1 0 302.352 -0.443 20 0 DBADRM O=C([O-])[C@@H](C(=O)NCCCn1nc2n(c1=O)CCCC2)C1CC1 ZINC000663087120 412226917 /nfs/dbraw/zinc/22/69/17/412226917.db2.gz TTYYRNBUQZUSMU-GFCCVEGCSA-N -1 0 322.365 -0.002 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC[C@H](C)C(=O)[O-] ZINC000663120910 412226926 /nfs/dbraw/zinc/22/69/26/412226926.db2.gz BRPZOVRDWXQZJQ-WCBMZHEXSA-N -1 0 306.384 -0.070 20 0 DBADRM CCN(C(=O)c1ccnc(S(N)(=O)=O)c1)[C@@H](C)C(=O)[O-] ZINC000663123375 412226976 /nfs/dbraw/zinc/22/69/76/412226976.db2.gz CBSDQHKKTVXFAG-ZETCQYMHSA-N -1 0 301.324 -0.336 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000663128624 412227317 /nfs/dbraw/zinc/22/73/17/412227317.db2.gz AKBFEXFQAWASGG-MEBBXXQBSA-N -1 0 320.349 -0.205 20 0 DBADRM CC(=O)N1CCCC[C@H]1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000663129380 412227350 /nfs/dbraw/zinc/22/73/50/412227350.db2.gz KIGUKZQYNGRGSG-TYNCELHUSA-N -1 0 310.350 -0.053 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(C)(C)C(=O)[O-])C[C@H]21 ZINC000663134928 412227442 /nfs/dbraw/zinc/22/74/42/412227442.db2.gz ISCDEOIIFLHKHI-YIZRAAEISA-N -1 0 305.352 -0.632 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCC2(C(=O)[O-])CCC2)nc1 ZINC000663141240 412227464 /nfs/dbraw/zinc/22/74/64/412227464.db2.gz IOCOVKXSYJKXPB-UHFFFAOYSA-N -1 0 313.335 -0.286 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1C ZINC000663129809 412227688 /nfs/dbraw/zinc/22/76/88/412227688.db2.gz WEKQQHVECAZXOD-MEBBXXQBSA-N -1 0 321.333 -0.430 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC000663136518 412227700 /nfs/dbraw/zinc/22/77/00/412227700.db2.gz HPHHLDPZCQZSSP-QMTHXVAHSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000663127845 412227860 /nfs/dbraw/zinc/22/78/60/412227860.db2.gz UDVWLTFEDBKZRH-ZETCQYMHSA-N -1 0 318.355 -0.421 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N(CC(=O)[O-])CC(C)(C)C)C(N)=O ZINC000663136461 412228001 /nfs/dbraw/zinc/22/80/01/412228001.db2.gz HEFQNYZWNRFWQW-VIFPVBQESA-N -1 0 301.343 -0.674 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000663136447 412228020 /nfs/dbraw/zinc/22/80/20/412228020.db2.gz GVEVLCCWPAWAHU-TVQRCGJNSA-N -1 0 301.343 -0.310 20 0 DBADRM Cc1csc(=O)n1CCC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000663130558 412228125 /nfs/dbraw/zinc/22/81/25/412228125.db2.gz JZFYMEGMNQLCIW-GFCCVEGCSA-N -1 0 300.336 -0.032 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)nn1 ZINC000663152437 412228496 /nfs/dbraw/zinc/22/84/96/412228496.db2.gz VZKGISQMUZAEFR-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM CN(C)c1ncnc2c1ncn2[C@H]1CCN(CC(=O)[O-])C1=O ZINC000663219855 412228833 /nfs/dbraw/zinc/22/88/33/412228833.db2.gz LPTQEJAYYWGHJV-QMMMGPOBSA-N -1 0 304.310 -0.250 20 0 DBADRM NS(=O)(=O)c1ccc(O[C@@H]2CCN(CC(=O)[O-])C2=O)cc1 ZINC000663219427 412228895 /nfs/dbraw/zinc/22/88/95/412228895.db2.gz IQIXHBHUUAZMFS-SNVBAGLBSA-N -1 0 314.319 -0.602 20 0 DBADRM Cc1nc(C(=O)NC[C@H](C(=O)[O-])C2CCC2)nn1-c1nc[nH]n1 ZINC000663151886 412228906 /nfs/dbraw/zinc/22/89/06/412228906.db2.gz GELDQSCZXXRXNZ-VIFPVBQESA-N -1 0 319.325 -0.075 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NC[C@H](C(=O)[O-])C2CCC2)nn1 ZINC000663152432 412229082 /nfs/dbraw/zinc/22/90/82/412229082.db2.gz VZKGISQMUZAEFR-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663145846 412229136 /nfs/dbraw/zinc/22/91/36/412229136.db2.gz BFPMFCSHGMNIJL-SNVBAGLBSA-N -1 0 311.338 -0.065 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1=O ZINC000663148111 412229307 /nfs/dbraw/zinc/22/93/07/412229307.db2.gz RAJGCYVQKYSZCO-SECBINFHSA-N -1 0 311.338 -0.066 20 0 DBADRM COCC(=O)N[C@H](C(=O)Nc1ccn(CC(=O)[O-])n1)C(C)C ZINC000663144821 412229590 /nfs/dbraw/zinc/22/95/90/412229590.db2.gz PZKUZYFMUOCXNM-LBPRGKRZSA-N -1 0 312.326 -0.307 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC000663252378 412230219 /nfs/dbraw/zinc/23/02/19/412230219.db2.gz INMILRGPRBIAKK-NSHDSACASA-N -1 0 307.299 -0.052 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)[O-])N(S(=O)(=O)CCC1CC1)C2 ZINC000663254132 412230326 /nfs/dbraw/zinc/23/03/26/412230326.db2.gz ZSEUXUVTSBYXQH-SNVBAGLBSA-N -1 0 314.367 -0.015 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000663252377 412230904 /nfs/dbraw/zinc/23/09/04/412230904.db2.gz INMILRGPRBIAKK-LLVKDONJSA-N -1 0 307.299 -0.052 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663254875 412231035 /nfs/dbraw/zinc/23/10/35/412231035.db2.gz DOUDTZLBLGHQRS-WCBMZHEXSA-N -1 0 306.384 -0.117 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000663285041 412231046 /nfs/dbraw/zinc/23/10/46/412231046.db2.gz CMRINFZJZKEOOZ-UHFFFAOYSA-N -1 0 307.299 -0.098 20 0 DBADRM Cn1nnc(CS(=O)(=O)c2n[nH]c(Cc3ccccc3)n2)n1 ZINC000663247385 412231180 /nfs/dbraw/zinc/23/11/80/412231180.db2.gz FRLJLECCTVLXFJ-UHFFFAOYSA-N -1 0 319.350 -0.107 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCc2nccnc2C1 ZINC000663433007 412231648 /nfs/dbraw/zinc/23/16/48/412231648.db2.gz YKUIDCGMOCBQAB-UHFFFAOYSA-N -1 0 300.340 -0.514 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCc2nccnc2C1 ZINC000663433006 412232856 /nfs/dbraw/zinc/23/28/56/412232856.db2.gz YIUDHNYNGZAAPW-NSHDSACASA-N -1 0 312.351 -0.372 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663634790 412236509 /nfs/dbraw/zinc/23/65/09/412236509.db2.gz MUOYQNCXKDFKGW-GXSJLCMTSA-N -1 0 300.355 -0.167 20 0 DBADRM Cn1ccnc1CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663626434 412236647 /nfs/dbraw/zinc/23/66/47/412236647.db2.gz ZGQIGJAMKFYUTF-SNVBAGLBSA-N -1 0 308.338 -0.347 20 0 DBADRM C[C@]1(O)CCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663633375 412236758 /nfs/dbraw/zinc/23/67/58/412236758.db2.gz PJTRUDJNEVVCGV-NHYWBVRUSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCOCCF)C[C@H]1C(=O)[O-] ZINC000663628548 412236940 /nfs/dbraw/zinc/23/69/40/412236940.db2.gz DCSJJXXMGCBHMT-VHSXEESVSA-N -1 0 304.318 -0.342 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCOCCF)C1 ZINC000663628397 412236973 /nfs/dbraw/zinc/23/69/73/412236973.db2.gz BTAQOJPYDNEHBT-UWVGGRQHSA-N -1 0 304.318 -0.342 20 0 DBADRM Cn1ccnc1CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663626432 412236983 /nfs/dbraw/zinc/23/69/83/412236983.db2.gz ZGQIGJAMKFYUTF-JTQLQIEISA-N -1 0 308.338 -0.347 20 0 DBADRM CN(Cc1cc[nH]n1)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663628964 412237081 /nfs/dbraw/zinc/23/70/81/412237081.db2.gz GOEOLGWSHLUENX-LLVKDONJSA-N -1 0 308.338 -0.015 20 0 DBADRM CN(CC1(CO)CC1)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663637306 412237698 /nfs/dbraw/zinc/23/76/98/412237698.db2.gz YJPMNYNSTUGELK-NSHDSACASA-N -1 0 312.366 -0.166 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663637847 412237813 /nfs/dbraw/zinc/23/78/13/412237813.db2.gz JJYDOAWCUWYQEA-MVWJERBFSA-N -1 0 312.366 -0.167 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCc2c[nH]nc2C1)C1CCC1 ZINC000663636860 412238007 /nfs/dbraw/zinc/23/80/07/412238007.db2.gz UDRLYWOMKRMHIF-NSHDSACASA-N -1 0 320.349 -0.089 20 0 DBADRM COC[C@H](CN1[N-]S(=O)(=O)c2ccccc2C1=O)OC ZINC000663932884 412244055 /nfs/dbraw/zinc/24/40/55/412244055.db2.gz QXVPKLRJOBAMPC-VIFPVBQESA-N -1 0 300.336 -0.003 20 0 DBADRM COCCc1ccc(OC[C@@H](O)CN=c2nn[n-]n2C)cc1 ZINC000664146495 412249374 /nfs/dbraw/zinc/24/93/74/412249374.db2.gz YQXBZNDVAGTGBG-LBPRGKRZSA-N -1 0 307.354 -0.327 20 0 DBADRM Cc1ccc(-n2[n-]nnc2=NC[C@]2(OCCO)CCOC2)cc1 ZINC000664240405 412249998 /nfs/dbraw/zinc/24/99/98/412249998.db2.gz YIFJHJOCOZVKDK-OAHLLOKOSA-N -1 0 319.365 -0.027 20 0 DBADRM O=C([O-])[C@H](CNC(=O)NC[C@H](O)Cn1ccnn1)C1CCC1 ZINC000665318498 412307864 /nfs/dbraw/zinc/30/78/64/412307864.db2.gz YKDGVHHNILZRFW-WDEREUQCSA-N -1 0 311.342 -0.561 20 0 DBADRM Cc1cc(C)n2nc(C(=O)[N-]c3nn4cnnc4s3)nc2n1 ZINC000641924725 412349307 /nfs/dbraw/zinc/34/93/07/412349307.db2.gz ASHXNJRMEXPXJR-UHFFFAOYSA-N -1 0 315.322 0.493 20 0 DBADRM Cc1cc(C)n2nc(NC(=O)c3c(=O)[nH][n-]c3C3CC3)nc2n1 ZINC000578313473 412349418 /nfs/dbraw/zinc/34/94/18/412349418.db2.gz BEFYBANEDQHDTL-SECBINFHSA-N -1 0 313.321 0.192 20 0 DBADRM CNc1nnc(CC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)s1 ZINC000570803782 412352911 /nfs/dbraw/zinc/35/29/11/412352911.db2.gz BXXXHJAMQPZPBZ-ZETCQYMHSA-N -1 0 323.382 0.352 20 0 DBADRM CNc1nnc(CC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)s1 ZINC000570803781 412353163 /nfs/dbraw/zinc/35/31/63/412353163.db2.gz BXXXHJAMQPZPBZ-SSDOTTSWSA-N -1 0 323.382 0.352 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)Nc2nnn[n-]2)=NO1 ZINC000495458703 412300592 /nfs/dbraw/zinc/30/05/92/412300592.db2.gz MHBBVWCFEQASTM-LURJTMIESA-N -1 0 311.302 -0.192 20 0 DBADRM CS(=O)(=O)NCCNC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665302339 412304472 /nfs/dbraw/zinc/30/44/72/412304472.db2.gz PZQKEOIHUUZZKS-SECBINFHSA-N -1 0 307.372 -0.664 20 0 DBADRM C[C@H](O)CNc1cc(NCCn2cc(C(=O)[O-])nn2)ncn1 ZINC000519767986 412304531 /nfs/dbraw/zinc/30/45/31/412304531.db2.gz GANDMUUYMOPLSL-QMMMGPOBSA-N -1 0 307.314 -0.329 20 0 DBADRM COCCn1cc(S(=O)(=O)[N-]c2cc(OC)n(C)n2)cn1 ZINC000547499416 412400097 /nfs/dbraw/zinc/40/00/97/412400097.db2.gz DWKQCMMVFUTEER-UHFFFAOYSA-N -1 0 315.355 0.072 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)C(=O)Nc1cc(C)on1 ZINC000643850477 412413079 /nfs/dbraw/zinc/41/30/79/412413079.db2.gz SORJHFVFSLPZPE-CYBMUJFWSA-N -1 0 311.294 0.014 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)CNC(=O)NCc2ccco2)n1 ZINC000362610000 412417137 /nfs/dbraw/zinc/41/71/37/412417137.db2.gz YDOKALUWUSLSOE-UHFFFAOYSA-N -1 0 321.293 -0.001 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)CNC(=O)c2ccccc2)n1 ZINC000362606812 412417695 /nfs/dbraw/zinc/41/76/95/412417695.db2.gz SAHMFCKYASOBHE-UHFFFAOYSA-N -1 0 302.290 0.336 20 0 DBADRM COC(=O)c1ccc(=NC(=O)NCc2cncnc2N)[n-]n1 ZINC000619632679 412480173 /nfs/dbraw/zinc/48/01/73/412480173.db2.gz NYOHFYRLNFYROK-UHFFFAOYSA-N -1 0 303.282 -0.621 20 0 DBADRM COCCNC(=O)[C@H](CC(C)C)N=c1nc2[nH][nH]cc-2c(N)n1 ZINC000354574305 412488249 /nfs/dbraw/zinc/48/82/49/412488249.db2.gz LEXDQKOWLBIEOP-JTQLQIEISA-N -1 0 321.385 -0.102 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)cn1 ZINC000430075740 412443581 /nfs/dbraw/zinc/44/35/81/412443581.db2.gz IHJQMFASCRLMHL-UHFFFAOYSA-N -1 0 306.307 0.329 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](Nc2ccc(C(=O)[O-])nn2)C1 ZINC000400138057 412459098 /nfs/dbraw/zinc/45/90/98/412459098.db2.gz UXOQDHLXSOLWAS-QMMMGPOBSA-N -1 0 300.340 0.011 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1CNc1ccc(C(=O)[O-])nn1 ZINC000565483153 412459209 /nfs/dbraw/zinc/45/92/09/412459209.db2.gz FJDWWQXITLNSDY-VIFPVBQESA-N -1 0 314.367 0.401 20 0 DBADRM Cn1c(NCCCCCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000416424744 412467947 /nfs/dbraw/zinc/46/79/47/412467947.db2.gz BAELKDQESDVALO-UHFFFAOYSA-N -1 0 309.326 0.430 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2cc3ccccn3n2)cc1C(N)=O ZINC000556803520 412471725 /nfs/dbraw/zinc/47/17/25/412471725.db2.gz YUNSTDVYMFEQGA-UHFFFAOYSA-N -1 0 319.346 0.573 20 0 DBADRM Cc1cc(C)n2[n-]c(=NC(=O)N[C@H]3C[C@@H](C(N)=O)C3)nc2n1 ZINC000650365490 412476200 /nfs/dbraw/zinc/47/62/00/412476200.db2.gz QXLTVCZMFLSMNT-KYZUINATSA-N -1 0 303.326 -0.452 20 0 DBADRM CCn1cncc1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000558588292 418942312 /nfs/dbraw/zinc/94/23/12/418942312.db2.gz QYMWVJALCUJUNG-UHFFFAOYSA-N -1 0 303.340 -0.185 20 0 DBADRM COc1ncc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1Cl ZINC000650414694 418942818 /nfs/dbraw/zinc/94/28/18/418942818.db2.gz UHBYCIVLZQYBTR-UHFFFAOYSA-N -1 0 324.742 -0.189 20 0 DBADRM C[C@H]([C@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-])C1CC1 ZINC000558686234 418943747 /nfs/dbraw/zinc/94/37/47/418943747.db2.gz XSIULSCMKWVBGJ-WPRPVWTQSA-N -1 0 304.368 -0.074 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC000663060693 418946779 /nfs/dbraw/zinc/94/67/79/418946779.db2.gz BSGJCSOBAJELQL-AWEZNQCLSA-N -1 0 313.354 -0.164 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CCOCC2CC2)C[C@H](C(=O)[O-])O1 ZINC000650446389 418946827 /nfs/dbraw/zinc/94/68/27/418946827.db2.gz VYWAUGDBVZZTEQ-MWLCHTKSSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C[C@H](C(=O)[O-])O1 ZINC000652116616 418949931 /nfs/dbraw/zinc/94/99/31/418949931.db2.gz KYPKCSIBHPESIE-OPRDCNLKSA-N -1 0 320.367 -0.889 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)C[C@H](C)O1 ZINC000043511288 418950391 /nfs/dbraw/zinc/95/03/91/418950391.db2.gz RVVRXIBLFSTEBI-WCABBAIRSA-N -1 0 324.424 -0.110 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCNC(=O)c2ccccc2)CCO1 ZINC000666512810 418983877 /nfs/dbraw/zinc/98/38/77/418983877.db2.gz BGOYOQQLHAHMMC-LBPRGKRZSA-N -1 0 321.333 -0.089 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000061836372 544418394 /nfs/dbraw/zinc/41/83/94/544418394.db2.gz RRIIACLINYNLRX-JTQLQIEISA-N -1 0 321.399 -0.562 20 0 DBADRM CN(C(=O)N1CCOC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000088393886 544422647 /nfs/dbraw/zinc/42/26/47/544422647.db2.gz WOTMRHBEJUMWAZ-BDAKNGLRSA-N -1 0 306.340 -0.989 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1nc2ncccn2n1)C1CCOCC1 ZINC000668305071 544424951 /nfs/dbraw/zinc/42/49/51/544424951.db2.gz DNDLSHZRIVPIRO-SECBINFHSA-N -1 0 305.294 -0.266 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC(C)(C)C(=O)OC ZINC000558474052 544443630 /nfs/dbraw/zinc/44/36/30/544443630.db2.gz HQWVIAHAQUTXDB-QMMMGPOBSA-N -1 0 311.356 -0.453 20 0 DBADRM CCC[C@@H](C(=O)NC1(c2nnn[n-]2)CCCC1)S(N)(=O)=O ZINC000668870372 544507425 /nfs/dbraw/zinc/50/74/25/544507425.db2.gz DSNRTZPILIVQQG-QMMMGPOBSA-N -1 0 316.387 -0.458 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000668871728 544507716 /nfs/dbraw/zinc/50/77/16/544507716.db2.gz OIICEZDBVFPPMW-QMMMGPOBSA-N -1 0 317.357 -0.690 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000673480245 544564139 /nfs/dbraw/zinc/56/41/39/544564139.db2.gz VVBXISSAWUZPPG-QMMMGPOBSA-N -1 0 320.371 -0.303 20 0 DBADRM CCCN(CCO)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000666191261 544550488 /nfs/dbraw/zinc/55/04/88/544550488.db2.gz BHTWWVFZURXABN-UHFFFAOYSA-N -1 0 302.352 -0.116 20 0 DBADRM CC(C)[C@H](CNC(=O)NCCS(=O)(=O)N(C)C)C(=O)[O-] ZINC000231021833 544574134 /nfs/dbraw/zinc/57/41/34/544574134.db2.gz KUEBWBLSWPOVII-VIFPVBQESA-N -1 0 309.388 -0.466 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000231021863 544574209 /nfs/dbraw/zinc/57/42/09/544574209.db2.gz HUTIMMBPVAGRNW-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@H]1CCCC[C@@H]1O ZINC000085977286 544577063 /nfs/dbraw/zinc/57/70/63/544577063.db2.gz YKARORVDGVEUDI-APPZFPTMSA-N -1 0 303.340 -0.063 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000085977283 544577342 /nfs/dbraw/zinc/57/73/42/544577342.db2.gz YKARORVDGVEUDI-CBAPKCEASA-N -1 0 303.340 -0.063 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000087506625 544581665 /nfs/dbraw/zinc/58/16/65/544581665.db2.gz LHNZHFVMKWSVFI-SNVBAGLBSA-N -1 0 321.399 -0.370 20 0 DBADRM C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCOCC(=O)[O-])CS2 ZINC000093227902 544607391 /nfs/dbraw/zinc/60/73/91/544607391.db2.gz IQSCFQHNJDLCHH-PRHODGIISA-N -1 0 302.352 -0.342 20 0 DBADRM C[C@@]12CCC(=O)N1[C@H](C(=O)NCCOCC(=O)[O-])CS2 ZINC000093227895 544607193 /nfs/dbraw/zinc/60/71/93/544607193.db2.gz IQSCFQHNJDLCHH-QPUJVOFHSA-N -1 0 302.352 -0.342 20 0 DBADRM COCCN(C(=O)NCCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000242764484 544615982 /nfs/dbraw/zinc/61/59/82/544615982.db2.gz DOHGUCCOMFDOKR-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400255489 544636186 /nfs/dbraw/zinc/63/61/86/544636186.db2.gz FIYJTMQBMWRZAP-DTWKUNHWSA-N -1 0 306.384 -0.117 20 0 DBADRM CN(C(=O)CC(C)(C)C(=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000380428445 544648530 /nfs/dbraw/zinc/64/85/30/544648530.db2.gz JPFHNHHHXOWCAA-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM CC(C)(CNC(=O)N[C@@](C)(C(=O)[O-])C1CC1)NS(C)(=O)=O ZINC000111774719 544680167 /nfs/dbraw/zinc/68/01/67/544680167.db2.gz ZRWKRSKLKFGBMS-GFCCVEGCSA-N -1 0 321.399 -0.133 20 0 DBADRM CC(C)(C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)n1cccn1 ZINC000515672473 544643060 /nfs/dbraw/zinc/64/30/60/544643060.db2.gz BGQDVVKZVZLYJC-VIFPVBQESA-N -1 0 315.351 -0.672 20 0 DBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1ccccc1[O-] ZINC000390423159 544690773 /nfs/dbraw/zinc/69/07/73/544690773.db2.gz PIJNSXFKQVBNPP-UHFFFAOYSA-N -1 0 308.381 -0.390 20 0 DBADRM CO[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)C[C@@H]1OC ZINC000320101083 544747260 /nfs/dbraw/zinc/74/72/60/544747260.db2.gz PEWAULDDUDCFQI-PHIMTYICSA-N -1 0 316.354 -0.077 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000668059689 544755470 /nfs/dbraw/zinc/75/54/70/544755470.db2.gz VEVOGXVBXAAPSN-NSHDSACASA-N -1 0 308.338 -0.031 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@]2(C(=O)[O-])CCOC2)C1 ZINC000224764526 544757785 /nfs/dbraw/zinc/75/77/85/544757785.db2.gz KBKVCNORQSRENS-CABZTGNLSA-N -1 0 320.367 -0.982 20 0 DBADRM C[C@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)C[C@@H](CO)O1 ZINC000318602620 544743048 /nfs/dbraw/zinc/74/30/48/544743048.db2.gz ZVSZNGRKNOUFTL-QWRGUYRKSA-N -1 0 316.354 -0.341 20 0 DBADRM CC(C)c1nc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c[nH]1 ZINC000673883053 544812834 /nfs/dbraw/zinc/81/28/34/544812834.db2.gz DYUBITDSLJZCMS-UHFFFAOYSA-N -1 0 304.328 -0.988 20 0 DBADRM O=C(CCCS(=O)(=O)N1CCCC1)NCc1n[nH]c(=O)[n-]1 ZINC000673948968 544816850 /nfs/dbraw/zinc/81/68/50/544816850.db2.gz GZMWDIPGQORNCJ-UHFFFAOYSA-N -1 0 317.371 -0.668 20 0 DBADRM C[C@H]1Oc2ccccc2N(CC(=O)NCc2n[nH]c(=O)[n-]2)C1=O ZINC000673949569 544817164 /nfs/dbraw/zinc/81/71/64/544817164.db2.gz QELPGGSDQMMEEY-MRVPVSSYSA-N -1 0 317.305 -0.059 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)n1 ZINC000675567729 544850504 /nfs/dbraw/zinc/85/05/04/544850504.db2.gz CRPYDUIOZDZXJB-UHFFFAOYSA-N -1 0 308.302 -0.883 20 0 DBADRM CS(=O)(=O)NCCc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000676211016 544859569 /nfs/dbraw/zinc/85/95/69/544859569.db2.gz RXGPYPYDTCRRLW-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@]23CCC(=O)N2CCS3)CCO1 ZINC000676214183 544859736 /nfs/dbraw/zinc/85/97/36/544859736.db2.gz QCVZGELLVOBMOX-PELKAZGASA-N -1 0 300.336 -0.636 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@]23CCC(=O)N2CCS3)CCO1 ZINC000676214194 544859754 /nfs/dbraw/zinc/85/97/54/544859754.db2.gz QCVZGELLVOBMOX-UFBFGSQYSA-N -1 0 300.336 -0.636 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)CCO1 ZINC000676214101 544860066 /nfs/dbraw/zinc/86/00/66/544860066.db2.gz PPLDWWFAVPQEER-NSHDSACASA-N -1 0 310.281 -0.246 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2cc(Br)cn2)CCO1 ZINC000676213772 544860160 /nfs/dbraw/zinc/86/01/60/544860160.db2.gz GPPQHZQDKMRFIT-QMMMGPOBSA-N -1 0 318.127 -0.042 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c1[O-] ZINC000676698031 544876386 /nfs/dbraw/zinc/87/63/86/544876386.db2.gz KLKRZTHVHJLACQ-SECBINFHSA-N -1 0 304.310 -0.307 20 0 DBADRM CC(=O)N(CCc1ccccc1)CC(=O)NCc1nnn[n-]1 ZINC000677765961 544896308 /nfs/dbraw/zinc/89/63/08/544896308.db2.gz YFZDEYLFAVPTKD-UHFFFAOYSA-N -1 0 302.338 -0.093 20 0 DBADRM O=C(NC1CC1)C1(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)CC1 ZINC000677929320 544901506 /nfs/dbraw/zinc/90/15/06/544901506.db2.gz UAWFZYJAIHSXIO-VIFPVBQESA-N -1 0 304.354 -0.036 20 0 DBADRM CCNC(=O)c1cccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)c1 ZINC000677948570 544902529 /nfs/dbraw/zinc/90/25/29/544902529.db2.gz VRBUWQURQZZFDH-UHFFFAOYSA-N -1 0 317.305 -0.038 20 0 DBADRM NC(=O)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCCCC1 ZINC000677950226 544902677 /nfs/dbraw/zinc/90/26/77/544902677.db2.gz MESWRBZBDYEMGT-MRVPVSSYSA-N -1 0 309.326 -0.163 20 0 DBADRM O=C(NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1cccs1 ZINC000677949162 544902898 /nfs/dbraw/zinc/90/28/98/544902898.db2.gz QOQJWSPJLKQLQH-UHFFFAOYSA-N -1 0 323.334 -0.106 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)c1[O-] ZINC000677113966 544884439 /nfs/dbraw/zinc/88/44/39/544884439.db2.gz HEVPKOPOAVECHN-MRVPVSSYSA-N -1 0 302.356 -0.422 20 0 DBADRM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1n[nH]c(=O)[n-]1 ZINC000677213477 544887605 /nfs/dbraw/zinc/88/76/05/544887605.db2.gz QIQIRKZZTICNTN-UHFFFAOYSA-N -1 0 315.289 -0.122 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@]12CCCO2 ZINC000680601605 544952119 /nfs/dbraw/zinc/95/21/19/544952119.db2.gz AXCBLQCUVRQBMB-OTPXZMOZSA-N -1 0 310.310 -0.261 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cnn2cc(Br)cnc12 ZINC000678314273 544911987 /nfs/dbraw/zinc/91/19/87/544911987.db2.gz ZHHJYJXASYKFMP-UHFFFAOYSA-N -1 0 323.114 -0.065 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000678933732 544923321 /nfs/dbraw/zinc/92/33/21/544923321.db2.gz WVOVIKZNYFZGAO-MRVPVSSYSA-N -1 0 300.336 -0.061 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000678990796 544924424 /nfs/dbraw/zinc/92/44/24/544924424.db2.gz XTPUDEAQVMXAND-IQMDTDKHSA-N -1 0 324.333 -0.479 20 0 DBADRM CCc1cc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)no1 ZINC000679001646 544924623 /nfs/dbraw/zinc/92/46/23/544924623.db2.gz YNAZGJXZAJODLM-UHFFFAOYSA-N -1 0 314.323 -0.565 20 0 DBADRM CN(CC(=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000679538443 544933642 /nfs/dbraw/zinc/93/36/42/544933642.db2.gz GUAYXTLKQGCQAY-UHFFFAOYSA-N -1 0 307.353 -0.379 20 0 DBADRM C[C@](O)(CNC(=O)CCn1cc(Br)cn1)C(=O)[O-] ZINC000681129482 544964082 /nfs/dbraw/zinc/96/40/82/544964082.db2.gz MCTISGRVSLXFMT-JTQLQIEISA-N -1 0 320.143 -0.013 20 0 DBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC000681557593 544974513 /nfs/dbraw/zinc/97/45/13/544974513.db2.gz WANJECZSIXDQCL-SECBINFHSA-N -1 0 319.383 -0.341 20 0 DBADRM CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O ZINC000681577047 544975816 /nfs/dbraw/zinc/97/58/16/544975816.db2.gz JYBHVGYHZOHSSI-VIFPVBQESA-N -1 0 315.413 -0.160 20 0 DBADRM Cc1cccc(C[C@H](CO)NC(=O)c2n[nH]c(=O)[n-]c2=O)c1 ZINC000682551203 545001131 /nfs/dbraw/zinc/00/11/31/545001131.db2.gz QJSMOPMJJGYKPR-SNVBAGLBSA-N -1 0 304.306 -0.075 20 0 DBADRM O=C([O-])C1CC(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000682700130 545003821 /nfs/dbraw/zinc/00/38/21/545003821.db2.gz DBKMNFFCQUAPOM-UHFFFAOYSA-N -1 0 323.349 -0.953 20 0 DBADRM C[C@@H]1CCCCN1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000683729232 545012465 /nfs/dbraw/zinc/01/24/65/545012465.db2.gz CZCHTZOPZPKBKJ-SECBINFHSA-N -1 0 307.372 -0.714 20 0 DBADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC[C@@H](O)C(N)=O)n1 ZINC000683916483 545015108 /nfs/dbraw/zinc/01/51/08/545015108.db2.gz QUNJWQLRKRSPIR-SNVBAGLBSA-N -1 0 322.296 -0.399 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(Cn2cncn2)cc1 ZINC000684063997 545016608 /nfs/dbraw/zinc/01/66/08/545016608.db2.gz LEFVPRGCBUYGEO-UHFFFAOYSA-N -1 0 314.305 -0.025 20 0 DBADRM CN1C[C@H](C(=O)NCCc2nc(=O)o[n-]2)c2ccccc2C1=O ZINC000684063911 545016665 /nfs/dbraw/zinc/01/66/65/545016665.db2.gz GIKNUWODGQNLBL-NSHDSACASA-N -1 0 316.317 -0.109 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CCCN1c1ncccn1 ZINC000684064195 545016766 /nfs/dbraw/zinc/01/67/66/545016766.db2.gz FJVXPJSBHQJNGZ-VIFPVBQESA-N -1 0 304.310 -0.519 20 0 DBADRM O=C(NCc1ccc2c(c1)OCCO2)c1n[nH]c(=O)[n-]c1=O ZINC000684161786 545018203 /nfs/dbraw/zinc/01/82/03/545018203.db2.gz GJXHPWXZBUOCER-UHFFFAOYSA-N -1 0 304.262 -0.016 20 0 DBADRM Cn1cc(S(=O)(=O)NC(C)(C)C(F)F)c(=O)n(C)c1=O ZINC000684599821 545022293 /nfs/dbraw/zinc/02/22/93/545022293.db2.gz WRGOLZSSRDXXRZ-UHFFFAOYSA-N -1 0 311.310 -0.594 20 0 DBADRM O=C([O-])[C@@H](NC(=O)NCc1nnnn1C1CC1)[C@H]1CCCOC1 ZINC000684736414 545023380 /nfs/dbraw/zinc/02/33/80/545023380.db2.gz PXZQJLWVKSOIIX-KWQFWETISA-N -1 0 324.341 -0.313 20 0 DBADRM CC[C@@](C)(NC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC000684721590 545023420 /nfs/dbraw/zinc/02/34/20/545023420.db2.gz RXMGDPMCIGCFCL-LLVKDONJSA-N -1 0 309.388 -0.180 20 0 DBADRM CN(CCCNC(=O)N[C@@H](CC1CC1)C(=O)[O-])S(C)(=O)=O ZINC000684720401 545023447 /nfs/dbraw/zinc/02/34/47/545023447.db2.gz BUHCNAFLUIJNQN-JTQLQIEISA-N -1 0 321.399 -0.180 20 0 DBADRM Cc1nnnn1-c1cccc(NC(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000684746534 545023812 /nfs/dbraw/zinc/02/38/12/545023812.db2.gz XMOXQIGIDSZOQB-RDDDGLTNSA-N -1 0 320.309 -0.074 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCNC(=O)C2)cc1C(=O)[O-] ZINC000036863994 545036384 /nfs/dbraw/zinc/03/63/84/545036384.db2.gz HPOLFTSMNYMYHY-UHFFFAOYSA-N -1 0 301.324 -0.673 20 0 DBADRM CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(S(C)(=O)=O)C1 ZINC000228813473 265676053 /nfs/dbraw/zinc/67/60/53/265676053.db2.gz CISVKIKDXRHVKP-NSHDSACASA-N -1 0 308.356 0.000 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000420570886 265860908 /nfs/dbraw/zinc/86/09/08/265860908.db2.gz XDPDQRIUSDUUIR-BJOHPYRUSA-N -1 0 323.349 -0.811 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000422703187 265879444 /nfs/dbraw/zinc/87/94/44/265879444.db2.gz MKADFORCEUVKSS-NXEZZACHSA-N -1 0 313.354 -0.850 20 0 DBADRM CC(C)N1CCN(C(=O)C(=O)N(C)CCCC(=O)[O-])CC1=O ZINC000422834235 265881667 /nfs/dbraw/zinc/88/16/67/265881667.db2.gz XBCDAZCBNYGEAM-UHFFFAOYSA-N -1 0 313.354 -0.611 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C[C@H]1OC ZINC000422854798 265882741 /nfs/dbraw/zinc/88/27/41/265882741.db2.gz DAIGUEKYFJPIMB-HBNTYKKESA-N -1 0 314.338 -0.818 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])[C@H]1C ZINC000422927226 265883777 /nfs/dbraw/zinc/88/37/77/265883777.db2.gz YKXYHASFDVFSAJ-DTWKUNHWSA-N -1 0 300.311 -0.671 20 0 DBADRM CCCNC(=O)CCC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424241461 265928123 /nfs/dbraw/zinc/92/81/23/265928123.db2.gz LHGBUJGQBHNEGJ-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM CCc1onc(C)c1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424236549 265928510 /nfs/dbraw/zinc/92/85/10/265928510.db2.gz HBWCMUFUJQBREP-VIFPVBQESA-N -1 0 316.335 -0.131 20 0 DBADRM CCCCCS(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424367690 265930197 /nfs/dbraw/zinc/93/01/97/265930197.db2.gz NJOUMMZTQOLCBL-SECBINFHSA-N -1 0 313.397 -0.310 20 0 DBADRM COCC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424394483 265931224 /nfs/dbraw/zinc/93/12/24/265931224.db2.gz DBIRAEJMBAYIOY-SECBINFHSA-N -1 0 322.383 -0.448 20 0 DBADRM CN(CC(F)(F)F)C(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424391744 265931599 /nfs/dbraw/zinc/93/15/99/265931599.db2.gz NPIPFHXFATUCLY-RXMQYKEDSA-N -1 0 323.231 -0.133 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCC(F)(F)F)CCS1(=O)=O ZINC000424405411 265932114 /nfs/dbraw/zinc/93/21/14/265932114.db2.gz HWHABSCBHMASNM-ZCFIWIBFSA-N -1 0 318.273 -0.168 20 0 DBADRM CC[C@](C)(CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)OC ZINC000424395771 265932227 /nfs/dbraw/zinc/93/22/27/265932227.db2.gz FSVLDGJXJBFROD-JOYOIKCWSA-N -1 0 322.383 -0.305 20 0 DBADRM CCn1nnc(C)c1CN1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424408686 265933370 /nfs/dbraw/zinc/93/33/70/265933370.db2.gz FDJWHLNDZFYIJH-SECBINFHSA-N -1 0 307.314 -0.627 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCO1 ZINC000424428132 265933979 /nfs/dbraw/zinc/93/39/79/265933979.db2.gz WUSIWVYWMKRRTH-QWRGUYRKSA-N -1 0 315.370 -0.110 20 0 DBADRM COc1ncc(Cl)c(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424471518 265934395 /nfs/dbraw/zinc/93/43/95/265934395.db2.gz NMHZAWZJCGUUHM-ZETCQYMHSA-N -1 0 321.742 -0.173 20 0 DBADRM CCc1ncnc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1F ZINC000424470394 265935175 /nfs/dbraw/zinc/93/51/75/265935175.db2.gz LKTZQLCKYJKOJJ-MRVPVSSYSA-N -1 0 303.315 -0.134 20 0 DBADRM CCC(CC)NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424471414 265935344 /nfs/dbraw/zinc/93/53/44/265935344.db2.gz SJCBRQICDBDIDP-VIFPVBQESA-N -1 0 320.367 -0.999 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N[C@H]1CCn2ccnc2C1)C(=O)[O-] ZINC000424486116 265936759 /nfs/dbraw/zinc/93/67/59/265936759.db2.gz HMNMGGSYYNIQQA-JTQLQIEISA-N -1 0 322.365 -0.069 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])nn1 ZINC000428081167 265973012 /nfs/dbraw/zinc/97/30/12/265973012.db2.gz WIISCDNWJLFLNZ-JTQLQIEISA-N -1 0 317.305 -0.811 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000430329329 266002354 /nfs/dbraw/zinc/00/23/54/266002354.db2.gz GZNNBRGCYREUGU-UHFFFAOYSA-N -1 0 316.321 -0.127 20 0 DBADRM CNC(=O)NCCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000432411276 266030377 /nfs/dbraw/zinc/03/03/77/266030377.db2.gz WYGUNJLDIDXICM-UHFFFAOYSA-N -1 0 322.372 -0.833 20 0 DBADRM CCOC[C@@H](O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000434444880 266050662 /nfs/dbraw/zinc/05/06/62/266050662.db2.gz LRGNLHCPVZMPJR-QMMMGPOBSA-N -1 0 322.321 -0.128 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000435219934 266059327 /nfs/dbraw/zinc/05/93/27/266059327.db2.gz JKNUPYBXDMVXEO-UHFFFAOYSA-N -1 0 316.317 -0.225 20 0 DBADRM NC(=O)c1cn(C2CN(C(=O)c3c([O-])cccc3F)C2)nn1 ZINC000436929811 266071993 /nfs/dbraw/zinc/07/19/93/266071993.db2.gz WEDJJZZUVOILLU-UHFFFAOYSA-N -1 0 305.269 -0.081 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)NC(C)(C)c1nnn[n-]1 ZINC000437910611 266075992 /nfs/dbraw/zinc/07/59/92/266075992.db2.gz QGXKVLVLEGYANJ-UHFFFAOYSA-N -1 0 306.326 -0.183 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H](C)O ZINC000442921409 266131856 /nfs/dbraw/zinc/13/18/56/266131856.db2.gz NAJFPVYPRVHFFD-XCBNKYQSSA-N -1 0 321.289 -0.318 20 0 DBADRM C[C@@H]1COCCN1CCNS(=O)(=O)[N-]CC(F)(F)F ZINC000442945422 266133301 /nfs/dbraw/zinc/13/33/01/266133301.db2.gz ALDWJGOYOWSMAJ-MRVPVSSYSA-N -1 0 305.322 -0.307 20 0 DBADRM CN1CCN(C)[C@H](CNS(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000442948962 266133937 /nfs/dbraw/zinc/13/39/37/266133937.db2.gz ICACSHRWLFMQAV-MRVPVSSYSA-N -1 0 304.338 -0.782 20 0 DBADRM O=C1C[C@@H](CNS(=O)(=O)[N-]CC(F)(F)F)CN1C1CC1 ZINC000443050093 266135105 /nfs/dbraw/zinc/13/51/05/266135105.db2.gz OHPFEACIWWALSB-ZETCQYMHSA-N -1 0 315.317 -0.016 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)[N-]CC(F)(F)F)O1 ZINC000443030120 266135519 /nfs/dbraw/zinc/13/55/19/266135519.db2.gz XLLBVSQOBUVGKG-PHDIDXHHSA-N -1 0 305.278 -0.994 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N1CCO[C@]2(CCOC2)C1 ZINC000443051223 266135783 /nfs/dbraw/zinc/13/57/83/266135783.db2.gz WBHHUIIOWFQCBG-MRVPVSSYSA-N -1 0 304.290 -0.126 20 0 DBADRM O=C1NC[C@@H]2[C@H]1CCCN2S(=O)(=O)[N-]CC(F)(F)F ZINC000443216175 266138401 /nfs/dbraw/zinc/13/84/01/266138401.db2.gz OTPIYVLSNQVSML-RNFRBKRXSA-N -1 0 301.290 -0.407 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NCC1(N2CCOCC2)CC1 ZINC000443197689 266138595 /nfs/dbraw/zinc/13/85/95/266138595.db2.gz APTJKJLCLCOIDV-UHFFFAOYSA-N -1 0 317.333 -0.163 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@H](C(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000492137466 266152829 /nfs/dbraw/zinc/15/28/29/266152829.db2.gz JKXJGISQNCRNQW-GZTOBOFZSA-N -1 0 307.306 -0.923 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000492120875 266153523 /nfs/dbraw/zinc/15/35/23/266153523.db2.gz VHGUBWGVSXKJEO-CVEYJHOQSA-N -1 0 323.349 -0.287 20 0 DBADRM CC(C)C[C@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000492184734 266154647 /nfs/dbraw/zinc/15/46/47/266154647.db2.gz VTOMEXWCQWZCIJ-GZTOBOFZSA-N -1 0 323.349 -0.287 20 0 DBADRM CC(C)[C@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000492216742 266155178 /nfs/dbraw/zinc/15/51/78/266155178.db2.gz YVVMWSMKXNHHQG-GZTOBOFZSA-N -1 0 309.322 -0.677 20 0 DBADRM CC(C)[C@@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000492216743 266155336 /nfs/dbraw/zinc/15/53/36/266155336.db2.gz YVVMWSMKXNHHQG-ISALQUGTSA-N -1 0 309.322 -0.677 20 0 DBADRM Cn1cc(/C=C/C(=O)NC2(C(=O)[O-])CCCC2)c(=O)n(C)c1=O ZINC000492159017 266155524 /nfs/dbraw/zinc/15/55/24/266155524.db2.gz XXVSZGGISLQAOY-AATRIKPKSA-N -1 0 321.333 -0.389 20 0 DBADRM O=C(CNC(=O)OCC(F)(F)F)NC1(c2nnn[n-]2)CC1 ZINC000492188626 266155732 /nfs/dbraw/zinc/15/57/32/266155732.db2.gz NQDIPDPWVARABH-UHFFFAOYSA-N -1 0 308.220 -0.407 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000492386362 266160078 /nfs/dbraw/zinc/16/00/78/266160078.db2.gz MIXMWACMOXOILD-IJVDHGTGSA-N -1 0 321.333 -0.533 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)/C=C/c1ccnc(Cl)c1 ZINC000492620625 266162731 /nfs/dbraw/zinc/16/27/31/266162731.db2.gz SYNNVJWTZBMTTF-OWOJBTEDSA-N -1 0 303.727 -0.321 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)/C=C\c1ccnc(Cl)c1 ZINC000492620626 266162897 /nfs/dbraw/zinc/16/28/97/266162897.db2.gz SYNNVJWTZBMTTF-UPHRSURJSA-N -1 0 303.727 -0.321 20 0 DBADRM COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)N2CCCC2)cn1 ZINC000492735470 266163699 /nfs/dbraw/zinc/16/36/99/266163699.db2.gz MAFAYCBNCOPFDZ-SNAWJCMRSA-N -1 0 312.351 -0.045 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C\c1cnc(OC)nc1 ZINC000492732973 266164010 /nfs/dbraw/zinc/16/40/10/266164010.db2.gz HAQSORNEVPMPIE-XRVBUDJMSA-N -1 0 315.351 -0.021 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccncn1 ZINC000492759495 266165650 /nfs/dbraw/zinc/16/56/50/266165650.db2.gz IBNKJWJXBLTCQL-SNAWJCMRSA-N -1 0 313.335 -0.111 20 0 DBADRM Cc1ccc(/C=C\C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC000492860507 266167710 /nfs/dbraw/zinc/16/77/10/266167710.db2.gz OXAAETKRZAPFMT-WAYWQWQTSA-N -1 0 311.363 -0.015 20 0 DBADRM O=C(/C=C\c1cccnc1)NCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000493378723 266175068 /nfs/dbraw/zinc/17/50/68/266175068.db2.gz CGPBLMCYKPMTBY-MVZIDQBPSA-N -1 0 319.317 -0.477 20 0 DBADRM Cn1nccc1C=CC(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000493431779 266176624 /nfs/dbraw/zinc/17/66/24/266176624.db2.gz JUQYKVHQSHRQMI-PKRMOACSSA-N -1 0 318.293 -0.774 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2cccnc2)CCS1(=O)=O ZINC000493501118 266177255 /nfs/dbraw/zinc/17/72/55/266177255.db2.gz VMGBGUDAFGSVPG-UFFNRZRYSA-N -1 0 310.331 -0.195 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)/C=C/c2cccnc2)CCS1(=O)=O ZINC000493501117 266177524 /nfs/dbraw/zinc/17/75/24/266177524.db2.gz VMGBGUDAFGSVPG-PGLGOXFNSA-N -1 0 310.331 -0.195 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000493583524 266178871 /nfs/dbraw/zinc/17/88/71/266178871.db2.gz KIJRXKCAKAWJJL-JDGPPOGSSA-N -1 0 319.317 -0.234 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000493620510 266178907 /nfs/dbraw/zinc/17/89/07/266178907.db2.gz ORDNLXBYRMCKMY-FAAWYNLUSA-N -1 0 319.317 -0.186 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)NCCC(=O)[O-])CC1 ZINC000494160175 266190299 /nfs/dbraw/zinc/19/02/99/266190299.db2.gz RPVXTRNVUSHDGM-UHFFFAOYSA-N -1 0 309.344 -0.930 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000494446702 266193499 /nfs/dbraw/zinc/19/34/99/266193499.db2.gz WHKHERYWCPMURC-GLEZIHRCSA-N -1 0 318.333 -0.265 20 0 DBADRM C[C@@H](CO[N-]C(=O)C1=NNC(=O)C1)NC(=O)OC(C)(C)C ZINC000495238058 266202352 /nfs/dbraw/zinc/20/23/52/266202352.db2.gz ODWYVGRWGZCYPY-ZETCQYMHSA-N -1 0 300.315 -0.177 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000495507860 266207724 /nfs/dbraw/zinc/20/77/24/266207724.db2.gz AWSBOGMYQSACQZ-SECBINFHSA-N -1 0 323.371 -0.684 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC ZINC000495650701 266212145 /nfs/dbraw/zinc/21/21/45/266212145.db2.gz JTQLVPZPLJGSTP-BIIVOSGPSA-N -1 0 324.355 -0.626 20 0 DBADRM CN(C)C(=O)N1CCN(CCCOC(=O)NC(N)=O)CC1 ZINC000495798034 266218308 /nfs/dbraw/zinc/21/83/08/266218308.db2.gz JDPVAZRNIUNRPW-UHFFFAOYSA-N -1 0 301.347 -0.519 20 0 DBADRM COC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)C1 ZINC000495858639 266220321 /nfs/dbraw/zinc/22/03/21/266220321.db2.gz WYAIWDJEQKKPJR-NXEZZACHSA-N -1 0 322.383 -0.054 20 0 DBADRM CN(C)C(=O)OC1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000495992904 266222808 /nfs/dbraw/zinc/22/28/08/266222808.db2.gz OHEDOBQSEYABPD-UHFFFAOYSA-N -1 0 324.337 -0.211 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000496387112 266234219 /nfs/dbraw/zinc/23/42/19/266234219.db2.gz NNVSBUXHSGGHEG-SECBINFHSA-N -1 0 308.356 -0.443 20 0 DBADRM CCOC(=O)N[C@H](C(=O)NCCc1nc(=O)o[n-]1)C(C)C ZINC000496509129 266237026 /nfs/dbraw/zinc/23/70/26/266237026.db2.gz WLMVCQPQTSVXEQ-VIFPVBQESA-N -1 0 300.315 -0.208 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000496518099 266237629 /nfs/dbraw/zinc/23/76/29/266237629.db2.gz ILRJYPBAXONQHE-IMJSIDKUSA-N -1 0 321.340 -0.655 20 0 DBADRM COC(=O)N1CC(NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000496662578 266242337 /nfs/dbraw/zinc/24/23/37/266242337.db2.gz OXVQBWXKOQKRDM-UHFFFAOYSA-N -1 0 321.289 -0.110 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)OCC(F)(F)F ZINC000496683305 266243305 /nfs/dbraw/zinc/24/33/05/266243305.db2.gz ORDKZTOSOZNCGT-BYPYZUCNSA-N -1 0 310.188 -0.049 20 0 DBADRM CCOC(=O)NCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000496722013 266243897 /nfs/dbraw/zinc/24/38/97/266243897.db2.gz QTMDKFDGCLKBJA-QMMMGPOBSA-N -1 0 303.315 -0.830 20 0 DBADRM COC(=O)N1CC(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000496782912 266245120 /nfs/dbraw/zinc/24/51/20/266245120.db2.gz XMJZHKFMHRZRGR-UHFFFAOYSA-N -1 0 315.326 -0.830 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)NC2(c3nnn[n-]3)CC2)C1 ZINC000496996938 266252359 /nfs/dbraw/zinc/25/23/59/266252359.db2.gz IVEKNJKURHETBO-UHFFFAOYSA-N -1 0 324.341 -0.713 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)OC[C@@H]1CCCO1 ZINC000496987633 266253026 /nfs/dbraw/zinc/25/30/26/266253026.db2.gz TVQUISGHSIPDSP-JGVFFNPUSA-N -1 0 312.282 -0.432 20 0 DBADRM CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC000497060834 266254299 /nfs/dbraw/zinc/25/42/99/266254299.db2.gz CNKBRTCHLRRSOA-VIFPVBQESA-N -1 0 315.326 -0.686 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000497039838 266254346 /nfs/dbraw/zinc/25/43/46/266254346.db2.gz WZTWUZCGBDCCOF-XVKPBYJWSA-N -1 0 302.294 -0.020 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000514605779 266261499 /nfs/dbraw/zinc/26/14/99/266261499.db2.gz ODBAVUQSOXWOTE-RKDXNWHRSA-N -1 0 320.305 -0.112 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCO[C@]2(CCOC2)C1 ZINC000514600882 266261548 /nfs/dbraw/zinc/26/15/48/266261548.db2.gz UYWBZBNNXCHXNI-ZYHUDNBSSA-N -1 0 320.367 -0.729 20 0 DBADRM NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1n[nH]c(=O)[n-]1 ZINC000514685819 266263624 /nfs/dbraw/zinc/26/36/24/266263624.db2.gz DUGIAVFFXUDDFZ-MRVPVSSYSA-N -1 0 309.713 -0.010 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000514862899 266266155 /nfs/dbraw/zinc/26/61/55/266266155.db2.gz HXVVLJRBAALZBB-HGNGGELXSA-N -1 0 303.340 -0.357 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000514942026 266267788 /nfs/dbraw/zinc/26/77/88/266267788.db2.gz OVBOZLPCMCREEM-SFGNSQDASA-N -1 0 303.340 -0.498 20 0 DBADRM Cc1c[nH]cc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1=O ZINC000515176567 266268810 /nfs/dbraw/zinc/26/88/10/266268810.db2.gz VQCAVNXSQOBEAW-VIFPVBQESA-N -1 0 314.319 -0.993 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-] ZINC000515173673 266268964 /nfs/dbraw/zinc/26/89/64/266268964.db2.gz MNKJFRFBWZBDEU-GXSJLCMTSA-N -1 0 318.351 -0.017 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000515176339 266269028 /nfs/dbraw/zinc/26/90/28/266269028.db2.gz JKZPLVRKJZRMMU-NXEZZACHSA-N -1 0 322.383 -0.688 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2OC[C@H]3COCC[C@H]32)C1 ZINC000515302372 266270403 /nfs/dbraw/zinc/27/04/03/266270403.db2.gz RUFLMLCWZOUFCS-BLTAXRJOSA-N -1 0 313.350 -0.012 20 0 DBADRM O=C([O-])[C@H](O)[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000515267140 266270706 /nfs/dbraw/zinc/27/07/06/266270706.db2.gz JXXJJWMYJLQYNL-GARJFASQSA-N -1 0 307.368 -0.347 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NCCCC(=O)[O-])C1 ZINC000515379709 266272123 /nfs/dbraw/zinc/27/21/23/266272123.db2.gz NBYGHRDUMYQEFM-JTQLQIEISA-N -1 0 321.399 -0.178 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cccc2c1CNC2=O)C(=O)[O-] ZINC000515845956 266274811 /nfs/dbraw/zinc/27/48/11/266274811.db2.gz ZEUJEUWSIUYSCK-SECBINFHSA-N -1 0 305.290 -0.152 20 0 DBADRM CNS(=O)(=O)c1cccc(CNC(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000515995869 266276481 /nfs/dbraw/zinc/27/64/81/266276481.db2.gz SBBXYNJEGRVGBY-UHFFFAOYSA-N -1 0 311.323 -0.652 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCCOC[C@@H]1CCCO1 ZINC000516290943 266280867 /nfs/dbraw/zinc/28/08/67/266280867.db2.gz CQJPVFMYRMZWTE-JTQLQIEISA-N -1 0 302.327 -0.721 20 0 DBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)NC1(C(=O)[O-])CC1 ZINC000516786877 266285555 /nfs/dbraw/zinc/28/55/55/266285555.db2.gz IBVDKHFDDBEFND-UHFFFAOYSA-N -1 0 319.360 -0.014 20 0 DBADRM NC(=O)[C@]1(NS(=O)(=O)c2cccc(C(=O)[O-])c2)CCOC1 ZINC000517038003 266289452 /nfs/dbraw/zinc/28/94/52/266289452.db2.gz FNIJEBWXPUMMBV-LBPRGKRZSA-N -1 0 314.319 -0.693 20 0 DBADRM COCCCN(C(=O)[C@H](C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000517142582 266289580 /nfs/dbraw/zinc/28/95/80/266289580.db2.gz RXAKTILWCYXSJQ-VHSXEESVSA-N -1 0 307.368 -0.241 20 0 DBADRM CC(C)(C)c1cc(CS(=O)(=O)NC[C@@H](O)C(=O)[O-])no1 ZINC000517041082 266289774 /nfs/dbraw/zinc/28/97/74/266289774.db2.gz FGSDVMIHVRDYBD-MRVPVSSYSA-N -1 0 306.340 -0.163 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cnn2c1OCCC2 ZINC000517137977 266289952 /nfs/dbraw/zinc/28/99/52/266289952.db2.gz SDFIUHFNAIEXFF-QMMMGPOBSA-N -1 0 301.324 -0.097 20 0 DBADRM COCCCN(C(=O)[C@@H](C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000517142577 266289970 /nfs/dbraw/zinc/28/99/70/266289970.db2.gz RXAKTILWCYXSJQ-NXEZZACHSA-N -1 0 307.368 -0.241 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000517236012 266291242 /nfs/dbraw/zinc/29/12/42/266291242.db2.gz GFURWLJXTZHWTK-NXEZZACHSA-N -1 0 306.384 -0.163 20 0 DBADRM CC(C)(CCS(=O)(=O)NC(C)(C)C(=O)[O-])S(C)(=O)=O ZINC000517365950 266293230 /nfs/dbraw/zinc/29/32/30/266293230.db2.gz OYOFQNMTVIOBBP-UHFFFAOYSA-N -1 0 315.413 -0.018 20 0 DBADRM O=C(CNC(=O)c1ccc(O)cc1)NC[C@H](CO)[C@H]1CCOC1 ZINC000517648290 266294605 /nfs/dbraw/zinc/29/46/05/266294605.db2.gz CXXBZYDFOVQBDS-QWHCGFSZSA-N -1 0 322.361 -0.117 20 0 DBADRM COCc1ccc(OC)c(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000517573496 266295257 /nfs/dbraw/zinc/29/52/57/266295257.db2.gz WFHCECJOEXXQQK-SECBINFHSA-N -1 0 319.335 -0.435 20 0 DBADRM O=C(CNC(=O)c1ccc(O)cc1)NC[C@@H](CO)[C@H]1CCOC1 ZINC000517648291 266295437 /nfs/dbraw/zinc/29/54/37/266295437.db2.gz CXXBZYDFOVQBDS-STQMWFEESA-N -1 0 322.361 -0.117 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cn1 ZINC000517738403 266296801 /nfs/dbraw/zinc/29/68/01/266296801.db2.gz QDMALKZDJLJXHC-GFCCVEGCSA-N -1 0 315.351 -0.330 20 0 DBADRM O=C([O-])C(=O)N1CCN(Cc2ncn(-c3ccccc3)n2)CC1 ZINC000517746821 266297201 /nfs/dbraw/zinc/29/72/01/266297201.db2.gz CEFXJXQGUMXAGG-UHFFFAOYSA-N -1 0 315.333 -0.004 20 0 DBADRM COCCN(C(=O)C(=O)NCCCC(=O)[O-])[C@@H]1CCOC1 ZINC000518185849 266300029 /nfs/dbraw/zinc/30/00/29/266300029.db2.gz SPNFFRYDLFORDU-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM COc1ccccc1OCCNC(=O)CN1CC(=O)NC1=O ZINC000518442015 266300896 /nfs/dbraw/zinc/30/08/96/266300896.db2.gz UQMQQYPVUBDDDV-UHFFFAOYSA-N -1 0 307.306 -0.258 20 0 DBADRM Cn1ccnc(N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1=O ZINC000518542556 266303923 /nfs/dbraw/zinc/30/39/23/266303923.db2.gz ZHYRQRGYFWMZOT-SECBINFHSA-N -1 0 304.310 -0.089 20 0 DBADRM COCC1(S(=O)(=O)N[C@H](CCC(=O)OC)C(=O)[O-])CC1 ZINC000518778422 266305404 /nfs/dbraw/zinc/30/54/04/266305404.db2.gz NQNKMUGADXGQTE-MRVPVSSYSA-N -1 0 309.340 -0.509 20 0 DBADRM CO[C@H]1C[C@H](CC(=O)[O-])N(c2ncc(S(N)(=O)=O)s2)C1 ZINC000519548394 266309918 /nfs/dbraw/zinc/30/99/18/266309918.db2.gz VVKDSBOXMZYQDO-RQJHMYQMSA-N -1 0 321.380 -0.141 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C[C@H]1CO ZINC000519615008 266311075 /nfs/dbraw/zinc/31/10/75/266311075.db2.gz ZLAVNFKQBZBCMF-WISYIIOYSA-N -1 0 312.366 -0.358 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000519600657 266311281 /nfs/dbraw/zinc/31/12/81/266311281.db2.gz GIVGJUMIWAWYFR-GXSJLCMTSA-N -1 0 319.383 -0.003 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000519595070 266311401 /nfs/dbraw/zinc/31/14/01/266311401.db2.gz GIUZMGBHJCZWTQ-JTQLQIEISA-N -1 0 304.372 -0.032 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@H]2C2CC2)C[C@H]1C(=O)[O-] ZINC000519817523 266315001 /nfs/dbraw/zinc/31/50/01/266315001.db2.gz ZAKKCNJVNSQGER-HKWIRBFKSA-N -1 0 310.350 -0.151 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000520195411 266316875 /nfs/dbraw/zinc/31/68/75/266316875.db2.gz KFABLQHWTSKFGW-JXUBOQSCSA-N -1 0 323.367 -0.528 20 0 DBADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000521380365 266325894 /nfs/dbraw/zinc/32/58/94/266325894.db2.gz FGDARVSGRNZSRP-NSHDSACASA-N -1 0 316.379 -0.124 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)[C@@H]1CO ZINC000521609663 266328010 /nfs/dbraw/zinc/32/80/10/266328010.db2.gz ADLKYQDCPOBCFZ-AZKPJATDSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)NCCCC(=O)[O-] ZINC000521875231 266329552 /nfs/dbraw/zinc/32/95/52/266329552.db2.gz VURFFIFESDAKBU-SECBINFHSA-N -1 0 315.370 -0.271 20 0 DBADRM CSc1nc(=O)n(CC(=O)N2CCC[C@@H](NC(C)=O)C2)[n-]1 ZINC000526068501 266350866 /nfs/dbraw/zinc/35/08/66/266350866.db2.gz QUIQWZIGMBPPMS-SECBINFHSA-N -1 0 313.383 -0.580 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc2n[nH]nc21 ZINC000527108023 266353126 /nfs/dbraw/zinc/35/31/26/266353126.db2.gz WOKVVBFSDHBZGW-JTQLQIEISA-N -1 0 317.305 -0.538 20 0 DBADRM COC1CCN(C(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])CC1 ZINC000527067425 266353758 /nfs/dbraw/zinc/35/37/58/266353758.db2.gz CCSLLHNMULNBJV-FVINQWEUSA-N -1 0 304.368 -0.265 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000527484524 266358759 /nfs/dbraw/zinc/35/87/59/266358759.db2.gz QWRWRWZYIGQEMO-VHSXEESVSA-N -1 0 322.383 -0.231 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1noc2c1COCC2 ZINC000527597943 266363574 /nfs/dbraw/zinc/36/35/74/266363574.db2.gz LDBTYXARNZBMHC-MRVPVSSYSA-N -1 0 316.335 -0.014 20 0 DBADRM CC(=O)Nc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)ccn1 ZINC000528951495 266382501 /nfs/dbraw/zinc/38/25/01/266382501.db2.gz KEVOHZNYLIYRCB-SNVBAGLBSA-N -1 0 313.335 -0.112 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000528958187 266382784 /nfs/dbraw/zinc/38/27/84/266382784.db2.gz BAMMNLWUYHRURY-LMLFDSFASA-N -1 0 306.384 -0.261 20 0 DBADRM COCCCn1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cn1 ZINC000528951946 266382854 /nfs/dbraw/zinc/38/28/54/266382854.db2.gz XUOZZIBAHSTUCU-NSHDSACASA-N -1 0 317.367 -0.232 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)n1 ZINC000529105467 266383630 /nfs/dbraw/zinc/38/36/30/266383630.db2.gz IUWLXOPQZLAPQX-QMMMGPOBSA-N -1 0 302.356 -0.075 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)CC1=O ZINC000529102763 266384278 /nfs/dbraw/zinc/38/42/78/266384278.db2.gz DKYQZRHOPCGGBS-UWVGGRQHSA-N -1 0 318.395 -0.132 20 0 DBADRM CN1CC(=O)N(CC(=O)N=c2nc(C3(C)CC3)[n-]s2)C1=O ZINC000529702779 266394077 /nfs/dbraw/zinc/39/40/77/266394077.db2.gz NPNRBPIUAJAYNN-UHFFFAOYSA-N -1 0 309.351 -0.156 20 0 DBADRM O=C(NC[C@@H](O)[C@H]1CCCO1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000529765052 266397615 /nfs/dbraw/zinc/39/76/15/266397615.db2.gz LAUGMMFPYOKGHK-NXEZZACHSA-N -1 0 320.305 -0.294 20 0 DBADRM CC[C@H]1CN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)CCO1 ZINC000530147661 266404385 /nfs/dbraw/zinc/40/43/85/266404385.db2.gz GTLKUGVLDWYVSV-QMMMGPOBSA-N -1 0 303.340 -0.082 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)C[C@H](C)O1 ZINC000530148303 266404752 /nfs/dbraw/zinc/40/47/52/266404752.db2.gz CBAOXZKZDPBSGZ-OCAPTIKFSA-N -1 0 303.340 -0.084 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)CC[C@H]2CCOC2)C1 ZINC000530149278 266405653 /nfs/dbraw/zinc/40/56/53/266405653.db2.gz ANTKSNQHYCDKCD-ZYHUDNBSSA-N -1 0 307.368 -0.082 20 0 DBADRM Cc1c([C@@H](NS(=O)(=O)c2ccnn2C)C(=O)[O-])cnn1C ZINC000530436119 266409864 /nfs/dbraw/zinc/40/98/64/266409864.db2.gz FDPHETFTWGCCML-SNVBAGLBSA-N -1 0 313.339 -0.434 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1C ZINC000530488318 266412179 /nfs/dbraw/zinc/41/21/79/266412179.db2.gz HIPZSJKSDBNONB-SNVBAGLBSA-N -1 0 313.339 -0.136 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000365381719 277307885 /nfs/dbraw/zinc/30/78/85/277307885.db2.gz RIVWAIZDGHNAMB-SECBINFHSA-N -1 0 322.331 -0.441 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000262826700 278095488 /nfs/dbraw/zinc/09/54/88/278095488.db2.gz QLSYKDLXRHRVHY-NSHDSACASA-N -1 0 319.317 -0.546 20 0 DBADRM CC(=O)NCCN(C(=O)c1cnn2cccnc12)[C@@H](C)C(=O)[O-] ZINC000262196082 278109129 /nfs/dbraw/zinc/10/91/29/278109129.db2.gz HLRDHSSFLFBJAB-VIFPVBQESA-N -1 0 319.321 -0.219 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccnn1C ZINC000262492208 278113458 /nfs/dbraw/zinc/11/34/58/278113458.db2.gz XQGVEGYSCSVZIE-MRVPVSSYSA-N -1 0 318.355 -0.980 20 0 DBADRM CC(=O)N[C@H](CC(=O)N1C[C@H]2CCC[C@]2(C(=O)[O-])C1)C(N)=O ZINC000341364040 278170751 /nfs/dbraw/zinc/17/07/51/278170751.db2.gz QWAYVVAKRGRLAI-RULNRJAQSA-N -1 0 311.338 -0.920 20 0 DBADRM CC(=O)N[C@H](CC(=O)N1C[C@H]2CCC[C@@]2(C(=O)[O-])C1)C(N)=O ZINC000341364029 278170766 /nfs/dbraw/zinc/17/07/66/278170766.db2.gz QWAYVVAKRGRLAI-GPCCPHFNSA-N -1 0 311.338 -0.920 20 0 DBADRM CC(C)(CC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000338110606 278595973 /nfs/dbraw/zinc/59/59/73/278595973.db2.gz DXLMUGDMGGJRQW-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CCn2cnnc2C1)C(=O)[O-] ZINC000424490582 278603182 /nfs/dbraw/zinc/60/31/82/278603182.db2.gz WFWLRZUXKUOSKP-UHFFFAOYSA-N -1 0 309.326 -0.763 20 0 DBADRM CC(C)C[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000063142301 279002374 /nfs/dbraw/zinc/00/23/74/279002374.db2.gz LJNPQGVZUPTJJO-MRVPVSSYSA-N -1 0 301.386 -0.550 20 0 DBADRM CC(C)[C@@H](C(=O)N(C)CCC(=O)[O-])N1CCCS1(=O)=O ZINC000262086357 279753098 /nfs/dbraw/zinc/75/30/98/279753098.db2.gz KYXLEZVBHUJRFT-NSHDSACASA-N -1 0 306.384 -0.020 20 0 DBADRM CC(C)[C@@H](NC(=O)CSCC(=O)N1CCOCC1)C(=O)[O-] ZINC000037432848 279884688 /nfs/dbraw/zinc/88/46/88/279884688.db2.gz PQCGIBZFMGGNJS-GFCCVEGCSA-N -1 0 318.395 -0.196 20 0 DBADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC000450527379 280119640 /nfs/dbraw/zinc/11/96/40/280119640.db2.gz ZDSWXKWLXHFNDV-GFCCVEGCSA-N -1 0 306.384 -0.163 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)Cc2cnn(C)c2)C1=O ZINC000358715386 280187362 /nfs/dbraw/zinc/18/73/62/280187362.db2.gz OCZWOBZYRAVTLC-DGCLKSJQSA-N -1 0 322.365 -0.211 20 0 DBADRM CC1(F)CC(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000332450473 281580961 /nfs/dbraw/zinc/58/09/61/281580961.db2.gz MFFWOOLGVWQPPC-KAIZJQOQSA-N -1 0 308.331 -0.230 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1C ZINC000274965881 288756142 /nfs/dbraw/zinc/75/61/42/288756142.db2.gz VOSGYBXMAKPBFV-SECBINFHSA-N -1 0 305.356 -0.366 20 0 DBADRM CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C(C)(C)C(=O)[O-] ZINC000061150715 288793842 /nfs/dbraw/zinc/79/38/42/288793842.db2.gz VJDFJDUWZVAINY-UHFFFAOYSA-N -1 0 306.384 -0.020 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])nn1 ZINC000262673279 288972174 /nfs/dbraw/zinc/97/21/74/288972174.db2.gz QFJJFCNODGNTGS-JTQLQIEISA-N -1 0 309.326 -0.554 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000455796764 289229724 /nfs/dbraw/zinc/22/97/24/289229724.db2.gz QJYRPFZQROSYJB-JOYOIKCWSA-N -1 0 304.368 -0.409 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)CCn1cncn1 ZINC000262159631 289458951 /nfs/dbraw/zinc/45/89/51/289458951.db2.gz KIHPJERJYWSDQR-LLVKDONJSA-N -1 0 323.353 -0.550 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000262314947 289581263 /nfs/dbraw/zinc/58/12/63/289581263.db2.gz PBJFJGGZZHLDCP-UHFFFAOYSA-N -1 0 313.335 -0.583 20 0 DBADRM CN1CC[C@@H](C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC000262308929 290125221 /nfs/dbraw/zinc/12/52/21/290125221.db2.gz BEUKRAHCHIALQV-JRPNMDOOSA-N -1 0 310.350 -0.196 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CCN1CCCS1(=O)=O ZINC000262181689 293241054 /nfs/dbraw/zinc/24/10/54/293241054.db2.gz XSIWRPBHTKHGMC-LBPRGKRZSA-N -1 0 322.383 -0.592 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOC(C)(C)C2)C[C@H]1C(=O)[O-] ZINC000263051695 297051533 /nfs/dbraw/zinc/05/15/33/297051533.db2.gz DNDXRUIYQNSRIA-NXEZZACHSA-N -1 0 306.384 -0.006 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC000263307304 295488981 /nfs/dbraw/zinc/48/89/81/295488981.db2.gz WEIMOANMBIZQFT-UHFFFAOYSA-N -1 0 313.335 -0.271 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCn3cncc3C2)C1 ZINC000332581108 297213241 /nfs/dbraw/zinc/21/32/41/297213241.db2.gz BONVHWNICDIQIX-GHMZBOCLSA-N -1 0 320.349 -0.206 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])C1 ZINC000088376981 297230673 /nfs/dbraw/zinc/23/06/73/297230673.db2.gz PVGAORWVZQHXMJ-GMTAPVOTSA-N -1 0 306.384 -0.006 20 0 DBADRM C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])O1 ZINC000333545368 297372277 /nfs/dbraw/zinc/37/22/77/297372277.db2.gz IOCIPHHGUDTZOQ-ODHVRURNSA-N -1 0 310.310 -0.407 20 0 DBADRM C[C@H]1OCCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H]1C ZINC000166565739 300597695 /nfs/dbraw/zinc/59/76/95/300597695.db2.gz DBEPFHZPKXHNFO-HTQZYQBOSA-N -1 0 304.306 -0.139 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCC(=O)NC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266811500 301137305 /nfs/dbraw/zinc/13/73/05/301137305.db2.gz HRQXKGXBXZYKIM-SSDOTTSWSA-N -1 0 317.305 -0.247 20 0 DBADRM Cc1cc(C(=O)N[C@H](C)C(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000262690177 301143721 /nfs/dbraw/zinc/14/37/21/301143721.db2.gz FZQLNNPTNMKXSA-SSDOTTSWSA-N -1 0 320.305 -0.856 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)nc1Cl ZINC000368517584 302919955 /nfs/dbraw/zinc/91/99/55/302919955.db2.gz ISMPIJIITYVOIR-VIFPVBQESA-N -1 0 309.731 -0.405 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000227866082 303050091 /nfs/dbraw/zinc/05/00/91/303050091.db2.gz LHORTWAQEZAUSW-IYSWYEEDSA-N -1 0 309.731 -0.718 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CCCC[C@@H]1C(=O)[O-])c2=O ZINC000354171434 303061240 /nfs/dbraw/zinc/06/12/40/303061240.db2.gz IGGGLRNBLYVUPU-SNVBAGLBSA-N -1 0 319.321 -0.404 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)Cc1ccc(F)cc1)C(=O)[O-] ZINC000037417541 303260438 /nfs/dbraw/zinc/26/04/38/303260438.db2.gz XSVQYQAXDKVHKH-VIFPVBQESA-N -1 0 304.299 -0.426 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)N2CCCC[C@H]2C(=O)[O-])CC1 ZINC000262680578 303440142 /nfs/dbraw/zinc/44/01/42/303440142.db2.gz SMLWYASGXKZWGO-JTQLQIEISA-N -1 0 319.383 -0.632 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000370140669 303505105 /nfs/dbraw/zinc/50/51/05/303505105.db2.gz CCLBEUSYUAQVFT-JTQLQIEISA-N -1 0 321.742 -0.161 20 0 DBADRM Cc1c(S(=O)(=O)N2CC(C)(C)OC[C@@H]2C(=O)[O-])cnn1C ZINC000570534509 332769717 /nfs/dbraw/zinc/76/97/17/332769717.db2.gz AKCUGCVGCJJJED-SECBINFHSA-N -1 0 317.367 -0.019 20 0 DBADRM CC(=O)NCCN(C(=O)c1cnn2c1CCC2)[C@@H](C)C(=O)[O-] ZINC000570719725 332806618 /nfs/dbraw/zinc/80/66/18/332806618.db2.gz SPZGVPYIHQEGNO-VIFPVBQESA-N -1 0 308.338 -0.119 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c(C)c1 ZINC000570867219 332831693 /nfs/dbraw/zinc/83/16/93/332831693.db2.gz PDZMOPOIWBOJTH-SECBINFHSA-N -1 0 317.319 -0.495 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C[C@H]1O ZINC000570918269 332841818 /nfs/dbraw/zinc/84/18/18/332841818.db2.gz XXHNLXUMHVGEQZ-VXGBXAGGSA-N -1 0 322.317 -0.150 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000580062395 332921704 /nfs/dbraw/zinc/92/17/04/332921704.db2.gz VRSJRPNMGKELDO-JTQLQIEISA-N -1 0 323.349 -0.857 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])o1 ZINC000584088756 331682467 /nfs/dbraw/zinc/68/24/67/331682467.db2.gz LVDLPPMZZNCWFL-LURJTMIESA-N -1 0 307.280 -0.820 20 0 DBADRM CCn1cc([N-]S(=O)(=O)N(C)CCOC)c(C(N)=O)n1 ZINC000568769473 331802088 /nfs/dbraw/zinc/80/20/88/331802088.db2.gz XTQLFSTUNOFWCS-UHFFFAOYSA-N -1 0 305.360 -0.763 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)[C@H]1CCO[C@@H]1C)C(=O)[O-] ZINC000584116968 331834464 /nfs/dbraw/zinc/83/44/64/331834464.db2.gz QIABBUHCPTVHLC-UTLUCORTSA-N -1 0 323.367 -0.120 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C(=O)[O-] ZINC000576823525 331835669 /nfs/dbraw/zinc/83/56/69/331835669.db2.gz MJNXYHXEFUHJJS-IQJOONFLSA-N -1 0 323.367 -0.168 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)C1 ZINC000584172393 331852703 /nfs/dbraw/zinc/85/27/03/331852703.db2.gz NNRZOAHVUUOKJW-KXUCPTDWSA-N -1 0 320.367 -0.841 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H](C)C1)C(=O)[O-] ZINC000577639774 332303319 /nfs/dbraw/zinc/30/33/19/332303319.db2.gz SVTNSWYYIYMLHV-YIZRAAEISA-N -1 0 309.340 -0.510 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000574210898 332333399 /nfs/dbraw/zinc/33/33/99/332333399.db2.gz RALJZBLTUOUAGL-UJNFCWOMSA-N -1 0 303.340 -0.357 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000566311839 332334264 /nfs/dbraw/zinc/33/42/64/332334264.db2.gz JHQIPMBMWHRVKH-QEYWKRMJSA-N -1 0 320.367 -0.856 20 0 DBADRM Cn1cccc1S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000583368930 332363798 /nfs/dbraw/zinc/36/37/98/332363798.db2.gz XOTXSKIBQBLBDM-VIFPVBQESA-N -1 0 315.351 -0.764 20 0 DBADRM CCc1oc(C(=O)OC)cc1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000578550443 332387399 /nfs/dbraw/zinc/38/73/99/332387399.db2.gz FYWVDWRHKSMEMI-ZCFIWIBFSA-N -1 0 321.307 -0.648 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000583444447 332415026 /nfs/dbraw/zinc/41/50/26/332415026.db2.gz ZYNGVJVDQALLRR-WDSKDSINSA-N -1 0 302.299 -0.509 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-] ZINC000581373499 332655388 /nfs/dbraw/zinc/65/53/88/332655388.db2.gz YOVWJSBYCUCGTB-RKDXNWHRSA-N -1 0 322.383 -0.643 20 0 DBADRM CS(=O)(=O)NCCNS(=O)(=O)CCCCCC(=O)[O-] ZINC000569840431 332684816 /nfs/dbraw/zinc/68/48/16/332684816.db2.gz CARLTWOQRJLMKX-UHFFFAOYSA-N -1 0 316.401 -0.900 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)CC(C)(C)OC)C(=O)[O-] ZINC000569931981 332694759 /nfs/dbraw/zinc/69/47/59/332694759.db2.gz RUTDZPSZXQVSIJ-MRVPVSSYSA-N -1 0 311.356 -0.263 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CC1CC(F)(F)C1)[C@@H](C)O ZINC000570107800 332713244 /nfs/dbraw/zinc/71/32/44/332713244.db2.gz PTBCNWPFAUVQMT-SVRRBLITSA-N -1 0 301.311 -0.127 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000570393996 332749684 /nfs/dbraw/zinc/74/96/84/332749684.db2.gz ZFTAYNXPBRXSSQ-SWWCQVKSSA-N -1 0 324.424 -0.379 20 0 DBADRM Cn1c(N2CCC[C@H]2CC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000570399892 332750477 /nfs/dbraw/zinc/75/04/77/332750477.db2.gz PLYZODJTJQMTCE-ZETCQYMHSA-N -1 0 307.310 -0.184 20 0 DBADRM CCCN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000580149614 332963559 /nfs/dbraw/zinc/96/35/59/332963559.db2.gz AQIRCWDRBVIKFC-CMPLNLGQSA-N -1 0 306.384 -0.004 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC000580216440 333015937 /nfs/dbraw/zinc/01/59/37/333015937.db2.gz YFMIVQOKHQVFPV-BDAKNGLRSA-N -1 0 307.393 -0.018 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000582060987 333194549 /nfs/dbraw/zinc/19/45/49/333194549.db2.gz RJBCMSQQZPBVQG-NSHDSACASA-N -1 0 303.340 -0.403 20 0 DBADRM CS(=O)(=O)[N-]c1nc2c(s1)CN(C(=O)[C@@H]1C[C@@H]1[NH3+])CC2 ZINC000582061237 333194470 /nfs/dbraw/zinc/19/44/70/333194470.db2.gz HFXOGUNLTPGKOQ-RQJHMYQMSA-N -1 0 316.408 -0.254 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000567468290 333650579 /nfs/dbraw/zinc/65/05/79/333650579.db2.gz HXZIPCVLRIRFDF-VIFPVBQESA-N -1 0 320.371 -0.545 20 0 DBADRM Cc1nc(N2CCO[C@@H](CC(=O)[O-])C2)sc1S(N)(=O)=O ZINC000571093216 333659314 /nfs/dbraw/zinc/65/93/14/333659314.db2.gz IJJVIAPZVGYDDD-ZETCQYMHSA-N -1 0 321.380 -0.221 20 0 DBADRM CCC1(O)CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000571438409 333789908 /nfs/dbraw/zinc/78/99/08/333789908.db2.gz KVSQQYVLTDEGKJ-UHFFFAOYSA-N -1 0 317.367 -0.107 20 0 DBADRM O=C([O-])C[C@@H](NS(=O)(=O)N1CCOCC1)c1ccncc1 ZINC000582192092 335751883 /nfs/dbraw/zinc/75/18/83/335751883.db2.gz YDZHUPDQWIWDEY-LLVKDONJSA-N -1 0 315.351 -0.236 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C)C(N)=O ZINC000379282349 336262473 /nfs/dbraw/zinc/26/24/73/336262473.db2.gz DSYCAVJDCRUJDP-MRVPVSSYSA-N -1 0 316.335 -0.059 20 0 DBADRM NC(=O)[C@H]1CC[C@@H]1C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000567099208 336394754 /nfs/dbraw/zinc/39/47/54/336394754.db2.gz SSOMJPIEPCHZHB-RYUDHWBXSA-N -1 0 305.334 -0.250 20 0 DBADRM COC(=O)c1ccccc1CS(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000582252420 336395084 /nfs/dbraw/zinc/39/50/84/336395084.db2.gz GTRFYYVPQJDXTK-SNVBAGLBSA-N -1 0 317.319 -0.662 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000390315385 336936928 /nfs/dbraw/zinc/93/69/28/336936928.db2.gz HAMMFNOBCFMSBC-NSHDSACASA-N -1 0 307.372 -0.522 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)NCCC(=O)NCC(=O)[O-])C1 ZINC000582466022 337093432 /nfs/dbraw/zinc/09/34/32/337093432.db2.gz FTAGYFGYBCRYBX-SECBINFHSA-N -1 0 307.372 -0.856 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000394217601 337106840 /nfs/dbraw/zinc/10/68/40/337106840.db2.gz HKWHVVLLZNHQSS-NSHDSACASA-N -1 0 303.340 -0.468 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NCCC(=O)NCc2ccccn2)O1 ZINC000582606438 337112871 /nfs/dbraw/zinc/11/28/71/337112871.db2.gz OOTBOCKPTRMALN-NWDGAFQWSA-N -1 0 321.333 -0.164 20 0 DBADRM Cn1nccc1[C@H](CO)NS(=O)(=O)c1c(Cl)cnn1C ZINC000582616558 337115168 /nfs/dbraw/zinc/11/51/68/337115168.db2.gz HRGWQVRYNJCVLX-QMMMGPOBSA-N -1 0 319.774 -0.181 20 0 DBADRM COCC1(CC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000582665825 337118101 /nfs/dbraw/zinc/11/81/01/337118101.db2.gz CTVMAYANIUXNPM-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])nn1 ZINC000582788952 337166374 /nfs/dbraw/zinc/16/63/74/337166374.db2.gz PZQDZSDSJOAAMG-KCJUWKMLSA-N -1 0 310.310 -0.224 20 0 DBADRM O=C(N[C@@H]1COC[C@H]1O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000583068212 337235359 /nfs/dbraw/zinc/23/53/59/337235359.db2.gz JULQCOHEPAQBOK-MBNYWOFBSA-N -1 0 320.345 -0.127 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCc1nnn(C)n1 ZINC000398050104 337305083 /nfs/dbraw/zinc/30/50/83/337305083.db2.gz DBHPNFVYAROERJ-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM CCS(=O)(=O)NCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000583322394 337315679 /nfs/dbraw/zinc/31/56/79/337315679.db2.gz GWDREPVQQIEELO-UHFFFAOYSA-N -1 0 308.356 -0.982 20 0 DBADRM Cc1c(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])cnn1C ZINC000583848538 337341712 /nfs/dbraw/zinc/34/17/12/337341712.db2.gz ICEQVAUXKWPYBX-UWVGGRQHSA-N -1 0 317.367 -0.113 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000022158189 337342960 /nfs/dbraw/zinc/34/29/60/337342960.db2.gz KKFXCLTTYAWFLJ-MRVPVSSYSA-N -1 0 315.351 -0.391 20 0 DBADRM CSCC[C@@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000584532745 337357329 /nfs/dbraw/zinc/35/73/29/337357329.db2.gz DWPVWBVRRMUIEV-JGVFFNPUSA-N -1 0 312.413 -0.411 20 0 DBADRM CC[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CCO1 ZINC000036769589 337358159 /nfs/dbraw/zinc/35/81/59/337358159.db2.gz XDHLTWKXQLTYSA-VIFPVBQESA-N -1 0 303.340 -0.233 20 0 DBADRM CC(C)[C@@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC000036970711 337361515 /nfs/dbraw/zinc/36/15/15/337361515.db2.gz DUWNEUMEWLRWSC-SECBINFHSA-N -1 0 303.340 -0.489 20 0 DBADRM C[C@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1 ZINC000036983304 337361594 /nfs/dbraw/zinc/36/15/94/337361594.db2.gz LAGKXRQONZMIMM-UKKRHICBSA-N -1 0 306.384 -0.271 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C ZINC000036983855 337361736 /nfs/dbraw/zinc/36/17/36/337361736.db2.gz UKZFMLFRLJGLLG-ZJUUUORDSA-N -1 0 322.383 -0.043 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)CC(=O)[O-])C1 ZINC000036983843 337361804 /nfs/dbraw/zinc/36/18/04/337361804.db2.gz AVFBXRNNFZQONJ-SECBINFHSA-N -1 0 308.356 -0.477 20 0 DBADRM C[C@@]1(NS(=O)(=O)c2ccc(C(=O)[O-])o2)CCS(=O)(=O)C1 ZINC000037019744 337362837 /nfs/dbraw/zinc/36/28/37/337362837.db2.gz SFBPXZPCKDGESD-SNVBAGLBSA-N -1 0 323.348 -0.167 20 0 DBADRM COc1ccc(OC)c(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000037406714 337363425 /nfs/dbraw/zinc/36/34/25/337363425.db2.gz OGFOZFPAWWBULH-QMMMGPOBSA-N -1 0 305.308 -0.572 20 0 DBADRM CC(=O)Nc1ccc(C)c(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000037406721 337363479 /nfs/dbraw/zinc/36/34/79/337363479.db2.gz CUDXIFCBTCVANY-SNVBAGLBSA-N -1 0 316.335 -0.323 20 0 DBADRM CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037464744 337364044 /nfs/dbraw/zinc/36/40/44/337364044.db2.gz ISNHRIFMGAAJTJ-SSDOTTSWSA-N -1 0 322.364 -0.480 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000037374585 337364848 /nfs/dbraw/zinc/36/48/48/337364848.db2.gz IDONLUGVIHVZSD-QMMMGPOBSA-N -1 0 308.262 -0.428 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000571710351 337571113 /nfs/dbraw/zinc/57/11/13/337571113.db2.gz UMDKFVGUWUBXEA-UWVGGRQHSA-N -1 0 319.383 -0.777 20 0 DBADRM C[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C(=O)[O-] ZINC000572120783 337591695 /nfs/dbraw/zinc/59/16/95/337591695.db2.gz AOOYZIYLKANJIY-DTWKUNHWSA-N -1 0 311.338 -0.114 20 0 DBADRM Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@@H](C(=O)[O-])[C@@H](C)O ZINC000572223656 337598271 /nfs/dbraw/zinc/59/82/71/337598271.db2.gz DEFICBCYLPFMRD-LDYMZIIASA-N -1 0 320.309 -0.074 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-])c1 ZINC000547558314 341222173 /nfs/dbraw/zinc/22/21/73/341222173.db2.gz WTUITSXWDXHHII-SNVBAGLBSA-N -1 0 315.355 -0.675 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000566007866 341545360 /nfs/dbraw/zinc/54/53/60/341545360.db2.gz WBXMQZRCVQPULR-SNVBAGLBSA-N -1 0 309.384 -0.100 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000566118735 341548126 /nfs/dbraw/zinc/54/81/26/341548126.db2.gz YTIQYDATFGPJBC-WCBMZHEXSA-N -1 0 303.340 -0.422 20 0 DBADRM C[C@@H]1CCN(C(=O)NCC(=O)N2CCOCC2)C[C@H]1C(=O)[O-] ZINC000566181493 341550092 /nfs/dbraw/zinc/55/00/92/341550092.db2.gz MXJYIIRZPIZJMV-GHMZBOCLSA-N -1 0 313.354 -0.403 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCc2ncn(C)n2)C[C@@H]1C(=O)[O-] ZINC000566241037 341551700 /nfs/dbraw/zinc/55/17/00/341551700.db2.gz QKAGDSJUDMZCOG-IUCAKERBSA-N -1 0 309.326 -1.000 20 0 DBADRM CS(=O)(=O)c1csc(C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000566718119 341566165 /nfs/dbraw/zinc/56/61/65/341566165.db2.gz NKOYTCFKIDWPAQ-UHFFFAOYSA-N -1 0 317.348 -0.200 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-] ZINC000567171167 341584124 /nfs/dbraw/zinc/58/41/24/341584124.db2.gz YFSZOUCIHCLHIA-BDAKNGLRSA-N -1 0 324.399 -0.349 20 0 DBADRM Cc1nc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)no1 ZINC000567235294 341590397 /nfs/dbraw/zinc/59/03/97/341590397.db2.gz DIFOJCLOVVFOHI-IONNQARKSA-N -1 0 310.310 -0.437 20 0 DBADRM CCc1noc2ncc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc12 ZINC000567292080 341593593 /nfs/dbraw/zinc/59/35/93/341593593.db2.gz FFNSCCSEILUPRI-SECBINFHSA-N -1 0 315.307 -0.491 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000567612965 341620172 /nfs/dbraw/zinc/62/01/72/341620172.db2.gz GEKBFZYIRIEQJU-DTWKUNHWSA-N -1 0 311.290 -0.008 20 0 DBADRM COC[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(C)C ZINC000567673570 341626661 /nfs/dbraw/zinc/62/66/61/341626661.db2.gz LILSXGQHCLZGAM-VHSXEESVSA-N -1 0 322.383 -0.449 20 0 DBADRM O=C([O-])c1cn(CCNS(=O)(=O)CCC(F)(F)F)nn1 ZINC000567740322 341630841 /nfs/dbraw/zinc/63/08/41/341630841.db2.gz SZXGUPJKVYQRRA-UHFFFAOYSA-N -1 0 316.261 -0.152 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCc1cn2ccccc2n1 ZINC000567888092 341638701 /nfs/dbraw/zinc/63/87/01/341638701.db2.gz YIYXTACEZRNJEY-UHFFFAOYSA-N -1 0 304.306 -0.069 20 0 DBADRM CCn1ncnc1CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000567887862 341638830 /nfs/dbraw/zinc/63/88/30/341638830.db2.gz TWBYIMDYFDCLKM-NXEZZACHSA-N -1 0 323.353 -0.517 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N(CCO)CC(=O)[O-])CCCC1 ZINC000568149982 341654369 /nfs/dbraw/zinc/65/43/69/341654369.db2.gz LAVQEWQIWGCARQ-UHFFFAOYSA-N -1 0 323.367 -0.572 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)nc1 ZINC000568230498 341659914 /nfs/dbraw/zinc/65/99/14/341659914.db2.gz IOFFMFDBYQINBU-UHFFFAOYSA-N -1 0 304.324 -0.188 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ncccn2)C1 ZINC000568288292 341663533 /nfs/dbraw/zinc/66/35/33/341663533.db2.gz ZIFMFOKCLXQHGW-ZJUUUORDSA-N -1 0 306.322 -0.338 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000568621213 341676558 /nfs/dbraw/zinc/67/65/58/341676558.db2.gz VFCWQEKDZKAHBY-KYZUINATSA-N -1 0 323.334 -0.196 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)CCOC(F)(F)F)CCO1 ZINC000568721915 341678631 /nfs/dbraw/zinc/67/86/31/341678631.db2.gz CSWKGQLKDCARNW-ZCFIWIBFSA-N -1 0 307.246 -0.362 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)CCOC(F)(F)F)CCO1 ZINC000568721914 341679626 /nfs/dbraw/zinc/67/96/26/341679626.db2.gz CSWKGQLKDCARNW-LURJTMIESA-N -1 0 307.246 -0.362 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NCc1ccc(C(=O)[O-])o1 ZINC000568889823 341684632 /nfs/dbraw/zinc/68/46/32/341684632.db2.gz WXVQYZOZWZLCRJ-ZETCQYMHSA-N -1 0 304.324 -0.126 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C ZINC000569059055 341689606 /nfs/dbraw/zinc/68/96/06/341689606.db2.gz GVMHEZBLPRWZRG-VIFPVBQESA-N -1 0 310.372 -0.185 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCn3ncnc3C2)C[C@@H]1C(=O)[O-] ZINC000569103491 341690804 /nfs/dbraw/zinc/69/08/04/341690804.db2.gz IVNXBJJGZHPDKZ-ZJUUUORDSA-N -1 0 321.337 -0.811 20 0 DBADRM NS(=O)(=O)c1ccc(N2CCn3ncnc3C2)c(C(=O)[O-])c1 ZINC000572725466 341701900 /nfs/dbraw/zinc/70/19/00/341701900.db2.gz PCOLUTOELUEVRF-UHFFFAOYSA-N -1 0 323.334 -0.356 20 0 DBADRM CC1(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)CC1 ZINC000573254922 341722507 /nfs/dbraw/zinc/72/25/07/341722507.db2.gz CYFZPIDRKADNAB-NXEZZACHSA-N -1 0 316.379 -0.124 20 0 DBADRM CCN1CCOC[C@H]1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000573686655 341735965 /nfs/dbraw/zinc/73/59/65/341735965.db2.gz QGZBRXYZOLOJCY-MNOVXSKESA-N -1 0 309.370 -0.063 20 0 DBADRM CC(C)(C)CC[C@H](NC(=O)c1cn(CC(N)=O)nn1)C(=O)[O-] ZINC000573920757 341743209 /nfs/dbraw/zinc/74/32/09/341743209.db2.gz YIDWXOFBSIPLGE-QMMMGPOBSA-N -1 0 311.342 -0.227 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000573966552 341744588 /nfs/dbraw/zinc/74/45/88/341744588.db2.gz YYZWXONSQCSXKL-SECBINFHSA-N -1 0 313.335 -0.464 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cncc(F)c1)C(=O)[O-] ZINC000168815869 341752407 /nfs/dbraw/zinc/75/24/07/341752407.db2.gz DHOJZQBSIHBNIT-VIFPVBQESA-N -1 0 320.298 -0.095 20 0 DBADRM COC(=O)Cc1cccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1 ZINC000574290244 341754400 /nfs/dbraw/zinc/75/44/00/341754400.db2.gz IGXHLLNUBDINRZ-SNVBAGLBSA-N -1 0 317.319 -0.874 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)N2CC(S(C)(=O)=O)C2)s[n-]1 ZINC000574457006 341759189 /nfs/dbraw/zinc/75/91/89/341759189.db2.gz LIDIRIHRXZKFFZ-ZCFIWIBFSA-N -1 0 320.396 -0.072 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000574638310 341764463 /nfs/dbraw/zinc/76/44/63/341764463.db2.gz ORJCCCWTESTJIF-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM COCCOCCCNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000575043759 341773349 /nfs/dbraw/zinc/77/33/49/341773349.db2.gz PEEBLVRTPNGUDA-SNVBAGLBSA-N -1 0 310.372 -0.577 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000575321312 341792367 /nfs/dbraw/zinc/79/23/67/341792367.db2.gz WXOAEBYAMXXNRA-RKDXNWHRSA-N -1 0 322.383 -0.608 20 0 DBADRM C[C@@H]([C@@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)[O-])C1CC1 ZINC000575926953 341815035 /nfs/dbraw/zinc/81/50/35/341815035.db2.gz OOULGFYVZCZURW-KHQFGBGNSA-N -1 0 306.384 -0.118 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000576240664 341835741 /nfs/dbraw/zinc/83/57/41/341835741.db2.gz DYRICXPDZBNVCE-MWLCHTKSSA-N -1 0 317.367 -0.251 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cccc2c1OCC2)C(=O)[O-] ZINC000576337063 341840993 /nfs/dbraw/zinc/84/09/93/341840993.db2.gz QCOOAZDKHXKDJD-SECBINFHSA-N -1 0 301.320 -0.001 20 0 DBADRM CCO[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])[C@@H]1OC ZINC000576343790 341841322 /nfs/dbraw/zinc/84/13/22/341841322.db2.gz HNVIYYQJGWTSKK-ZDCRXTMVSA-N -1 0 322.383 -0.438 20 0 DBADRM C[C@@H]1C[C@@H](S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])CCO1 ZINC000576469403 341848051 /nfs/dbraw/zinc/84/80/51/341848051.db2.gz PEGVNELFVDRKIY-SCVCMEIPSA-N -1 0 309.384 -0.053 20 0 DBADRM C[C@@H]1C[C@@H](S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])CCO1 ZINC000576469402 341848095 /nfs/dbraw/zinc/84/80/95/341848095.db2.gz PEGVNELFVDRKIY-JFGNBEQYSA-N -1 0 309.384 -0.053 20 0 DBADRM CC(C)(C)[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000576565412 341852606 /nfs/dbraw/zinc/85/26/06/341852606.db2.gz ORHPSMXHQRIFLL-MRVPVSSYSA-N -1 0 315.413 -0.160 20 0 DBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC000576647943 341856892 /nfs/dbraw/zinc/85/68/92/341856892.db2.gz JSABCIJYKINSLE-BBBLOLIVSA-N -1 0 305.352 -0.346 20 0 DBADRM Cc1c(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)cnn1C ZINC000576717666 341860061 /nfs/dbraw/zinc/86/00/61/341860061.db2.gz LWYZHTMRNJVICW-GXSJLCMTSA-N -1 0 317.367 -0.425 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cn1 ZINC000580559417 341876747 /nfs/dbraw/zinc/87/67/47/341876747.db2.gz FXJFBQCSHDJPLL-ZETCQYMHSA-N -1 0 320.348 -0.755 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCCC(=O)[O-])C1 ZINC000580559373 341876803 /nfs/dbraw/zinc/87/68/03/341876803.db2.gz CZTYXRMBSGYEJF-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)N2CCCC2)C[C@]12CCOC2 ZINC000577045044 341880300 /nfs/dbraw/zinc/88/03/00/341880300.db2.gz BMCOFAQOGWHMDD-PWSUYJOCSA-N -1 0 304.368 -0.250 20 0 DBADRM COc1cccc(C(=O)NCC(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000577373685 341906511 /nfs/dbraw/zinc/90/65/11/341906511.db2.gz XPBBYQQWMTWITE-CQSZACIVSA-N -1 0 310.306 -0.623 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000577570463 341918816 /nfs/dbraw/zinc/91/88/16/341918816.db2.gz JOVQVOUHAHVVTQ-QMMMGPOBSA-N -1 0 321.380 -0.278 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000577607368 341922767 /nfs/dbraw/zinc/92/27/67/341922767.db2.gz MJNOHBBHBREEFE-JTQLQIEISA-N -1 0 305.381 -0.033 20 0 DBADRM CCCN(C(=O)NCCNS(C)(=O)=O)[C@H](CC)C(=O)[O-] ZINC000577696715 341929694 /nfs/dbraw/zinc/92/96/94/341929694.db2.gz JQLALJYPQRGGNM-SECBINFHSA-N -1 0 309.388 -0.180 20 0 DBADRM Cn1cccc1S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000577963586 341959925 /nfs/dbraw/zinc/95/99/25/341959925.db2.gz GEPZPBLDAOOPLT-ONGXEEELSA-N -1 0 302.352 -0.129 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262793092 518897992 /nfs/dbraw/zinc/89/79/92/518897992.db2.gz QBCXFMHMXJGBNM-VIFPVBQESA-N -1 0 307.368 -0.098 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCCOCCO)c1 ZINC000424578766 533817578 /nfs/dbraw/zinc/81/75/78/533817578.db2.gz STZOLXMWLSNNPM-HXUWFJFHSA-N -1 0 301.364 -0.072 20 0 DBADRM COC[C@@H](O)CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000268628009 522417971 /nfs/dbraw/zinc/41/79/71/522417971.db2.gz LOYWMFXGUWFJSL-VIFPVBQESA-N -1 0 302.352 -0.205 20 0 DBADRM CCN(CC)S(=O)(=O)CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC000357418789 535618444 /nfs/dbraw/zinc/61/84/44/535618444.db2.gz JTIWAHDVMJJZSE-ZJUUUORDSA-N -1 0 322.383 -0.594 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000261812214 517450428 /nfs/dbraw/zinc/45/04/28/517450428.db2.gz LYAKBFCNMZUFOZ-JTQLQIEISA-N -1 0 322.383 -0.736 20 0 DBADRM C/C=C/C[C@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000263282362 518542489 /nfs/dbraw/zinc/54/24/89/518542489.db2.gz OSHNJMCSFCSDGE-PBKGFPTLSA-N -1 0 304.368 -0.052 20 0 DBADRM CC(C)C[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000262673300 519237170 /nfs/dbraw/zinc/23/71/70/519237170.db2.gz QHOXNIVDCLFMSH-SNVBAGLBSA-N -1 0 321.399 -0.483 20 0 DBADRM CC(C)(NC(=O)c1ccc(S(N)(=O)=O)cc1)c1nnn[n-]1 ZINC000344890863 519317096 /nfs/dbraw/zinc/31/70/96/519317096.db2.gz PQHHLWDHADHEOS-UHFFFAOYSA-N -1 0 310.339 -0.488 20 0 DBADRM CC(=O)N1CC(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000346488440 519498281 /nfs/dbraw/zinc/49/82/81/519498281.db2.gz NETQEXZXJNKHAA-UHFFFAOYSA-N -1 0 303.278 -0.604 20 0 DBADRM CC(=O)NCCN(C(=O)c1cccc(C(N)=O)c1)[C@H](C)C(=O)[O-] ZINC000262176385 519661885 /nfs/dbraw/zinc/66/18/85/519661885.db2.gz DXGKPJDULNXKCB-SECBINFHSA-N -1 0 321.333 -0.163 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1CCCC1 ZINC000262375471 519662965 /nfs/dbraw/zinc/66/29/65/519662965.db2.gz GAWKRZOJHYDKSU-SECBINFHSA-N -1 0 307.372 -0.762 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N(C)CC1CC1 ZINC000262415284 519663190 /nfs/dbraw/zinc/66/31/90/519663190.db2.gz MDQOLCLLKBIAHR-SECBINFHSA-N -1 0 321.399 -0.516 20 0 DBADRM CCOCCOCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000344678173 519989754 /nfs/dbraw/zinc/98/97/54/519989754.db2.gz ASSMTIFMXVNYMW-UHFFFAOYSA-N -1 0 324.384 -0.099 20 0 DBADRM CCN(CC(=O)[O-])C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000261880548 520375194 /nfs/dbraw/zinc/37/51/94/520375194.db2.gz ABDVYFBKHVQQRC-UHFFFAOYSA-N -1 0 313.335 -0.583 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N(CCCO)Cc1ccccc1 ZINC000420599303 534491670 /nfs/dbraw/zinc/49/16/70/534491670.db2.gz MLXISQNNQWHYOK-UHFFFAOYSA-N -1 0 308.334 -0.012 20 0 DBADRM CCN(CC)C(=O)CCCNC(=O)c1cnc([O-])n(C)c1=O ZINC000267557318 520464218 /nfs/dbraw/zinc/46/42/18/520464218.db2.gz GEOOHQJPIOQTFI-UHFFFAOYSA-N -1 0 310.354 -0.136 20 0 DBADRM CC1(C)C[C@H]1CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000332120866 520566055 /nfs/dbraw/zinc/56/60/55/520566055.db2.gz HMRIDYIEQRASIS-DTWKUNHWSA-N -1 0 304.368 -0.074 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)C(=O)NCc1ccc(F)cc1 ZINC000447635704 534501520 /nfs/dbraw/zinc/50/15/20/534501520.db2.gz FZXULGUHNMGNEE-UHFFFAOYSA-N -1 0 308.269 -0.523 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc2c(c1)C(=O)NC2=O ZINC000447634564 534501863 /nfs/dbraw/zinc/50/18/63/534501863.db2.gz RWEHAFRYTGOBKX-UHFFFAOYSA-N -1 0 302.246 -0.781 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccccc1-n1ccnn1 ZINC000447636315 534501907 /nfs/dbraw/zinc/50/19/07/534501907.db2.gz HWAIVCNCORTCDU-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cncc(N2CCOCC2)c1 ZINC000447637125 534503843 /nfs/dbraw/zinc/50/38/43/534503843.db2.gz ODKVWWBSBTYKOL-UHFFFAOYSA-N -1 0 319.321 -0.433 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000262111209 520766685 /nfs/dbraw/zinc/76/66/85/520766685.db2.gz HVFAMCRNZBRFPP-NSHDSACASA-N -1 0 324.424 -0.266 20 0 DBADRM CCCC[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000347259073 521079447 /nfs/dbraw/zinc/07/94/47/521079447.db2.gz KDFXAWMNIACAHL-SNVBAGLBSA-N -1 0 321.337 -0.110 20 0 DBADRM CCC[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)c1nnn[n-]1 ZINC000343767115 521144263 /nfs/dbraw/zinc/14/42/63/521144263.db2.gz QDSNCEZCZODSFC-LURJTMIESA-N -1 0 314.327 -0.289 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N[C@@H](CCOC)C(=O)[O-] ZINC000262264695 521164658 /nfs/dbraw/zinc/16/46/58/521164658.db2.gz FPCVQVHRIFJRTP-IUCAKERBSA-N -1 0 304.368 -0.096 20 0 DBADRM CCN1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1=O ZINC000331410659 521602760 /nfs/dbraw/zinc/60/27/60/521602760.db2.gz FZGJOQUWKZEMLA-JTQLQIEISA-N -1 0 311.338 -1.000 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cn1C ZINC000062132655 521791284 /nfs/dbraw/zinc/79/12/84/521791284.db2.gz REBRATDHYKBWCA-MRVPVSSYSA-N -1 0 315.351 -0.520 20 0 DBADRM COCC[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)[O-] ZINC000262274262 521839232 /nfs/dbraw/zinc/83/92/32/521839232.db2.gz HMYLKQRZTCUDTD-SNVBAGLBSA-N -1 0 307.306 -0.065 20 0 DBADRM COc1cc(C(=O)N=c2[n-]c(C)no2)ccc1OCC(N)=O ZINC000338353746 522100016 /nfs/dbraw/zinc/10/00/16/522100016.db2.gz IPHUYWRGPIJUDP-UHFFFAOYSA-N -1 0 306.278 -0.075 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N(C)CCC(=O)[O-])cn1 ZINC000262431883 522149080 /nfs/dbraw/zinc/14/90/80/522149080.db2.gz OLDSWQMGBOUENT-UHFFFAOYSA-N -1 0 302.308 -0.037 20 0 DBADRM CNS(=O)(=O)CCCN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344084200 522189611 /nfs/dbraw/zinc/18/96/11/522189611.db2.gz GFKOIEXHMFVFTM-VIFPVBQESA-N -1 0 303.388 -0.371 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NC(C)(C)c2nnn[n-]2)co1 ZINC000339364143 522259895 /nfs/dbraw/zinc/25/98/95/522259895.db2.gz SUGPNHAFOGWEPD-UHFFFAOYSA-N -1 0 314.327 -0.634 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H]2COCCO2)ccc1[O-] ZINC000331195407 522270021 /nfs/dbraw/zinc/27/00/21/522270021.db2.gz TYEKICGSFXJSHF-SNVBAGLBSA-N -1 0 316.335 -0.346 20 0 DBADRM O=C(NC[C@H]1CCCC(=O)N1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000447743883 534635003 /nfs/dbraw/zinc/63/50/03/534635003.db2.gz IKOKAUNAADJSAX-MRVPVSSYSA-N -1 0 317.305 -0.166 20 0 DBADRM CN(CC(=O)NCc1cccc(C(=O)[O-])c1)S(C)(=O)=O ZINC000344449119 522484313 /nfs/dbraw/zinc/48/43/13/522484313.db2.gz WLLYEBQYGISZMT-UHFFFAOYSA-N -1 0 300.336 -0.108 20 0 DBADRM CC[C@@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)[O-] ZINC000263049211 522669102 /nfs/dbraw/zinc/66/91/02/522669102.db2.gz WURKOGWCOJMSER-SECBINFHSA-N -1 0 313.335 -0.537 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)CS(=O)(=O)c2ncc[n-]2)C1 ZINC000356082780 534657362 /nfs/dbraw/zinc/65/73/62/534657362.db2.gz BLLRXGRENFSPKY-JTQLQIEISA-N -1 0 314.367 -0.690 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-] ZINC000263403084 522723108 /nfs/dbraw/zinc/72/31/08/522723108.db2.gz FOABUWJNPZNFQG-KOLCDFICSA-N -1 0 310.306 -0.156 20 0 DBADRM COC[C@](C)(NC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)[O-] ZINC000262076081 522882955 /nfs/dbraw/zinc/88/29/55/522882955.db2.gz CZCKPLHFVZGISP-AWEZNQCLSA-N -1 0 319.321 -0.054 20 0 DBADRM COC[C@](C)(NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000262145560 522883538 /nfs/dbraw/zinc/88/35/38/522883538.db2.gz SPLKWLMBDFVQGS-AWEZNQCLSA-N -1 0 322.321 -0.508 20 0 DBADRM COC[C@](C)(NC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)[O-] ZINC000262223701 522883710 /nfs/dbraw/zinc/88/37/10/522883710.db2.gz UFRPPNVOZFTFCI-HNNXBMFYSA-N -1 0 321.333 -0.054 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000129483887 523034175 /nfs/dbraw/zinc/03/41/75/523034175.db2.gz YOQLCGHNEOBJAL-SECBINFHSA-N -1 0 309.340 -0.555 20 0 DBADRM COCCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccn(C)n1 ZINC000345714265 523184694 /nfs/dbraw/zinc/18/46/94/523184694.db2.gz HKMDBFIRVLZEIU-NSHDSACASA-N -1 0 319.383 -0.020 20 0 DBADRM COCCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccn(C)n1 ZINC000345714263 523185945 /nfs/dbraw/zinc/18/59/45/523185945.db2.gz HKMDBFIRVLZEIU-LLVKDONJSA-N -1 0 319.383 -0.020 20 0 DBADRM COC(=O)C[C@H]1COCCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC000347468237 523355967 /nfs/dbraw/zinc/35/59/67/523355967.db2.gz SEWDYKWZZACSST-NSHDSACASA-N -1 0 306.322 -0.214 20 0 DBADRM CN(Cc1nnnn1C)C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000343790645 523613746 /nfs/dbraw/zinc/61/37/46/523613746.db2.gz CFGTYBBMXNRFAE-UHFFFAOYSA-N -1 0 324.366 -0.146 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000345310886 523646839 /nfs/dbraw/zinc/64/68/39/523646839.db2.gz XJNMSXYEOCJDAO-VIFPVBQESA-N -1 0 307.262 -0.706 20 0 DBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)C(=O)c2c(C)nn(C)c2C)C1 ZINC000347437021 523763367 /nfs/dbraw/zinc/76/33/67/523763367.db2.gz XOPSMCLDKOFPBL-NXEZZACHSA-N -1 0 309.322 -0.080 20 0 DBADRM COCCN1CN(S(=O)(=O)[N-]CC(F)(F)F)CC1=O ZINC000338000871 523879105 /nfs/dbraw/zinc/87/91/05/523879105.db2.gz WYBSYWMXTBJGBI-UHFFFAOYSA-N -1 0 305.278 -0.869 20 0 DBADRM CN1CCN(C(=O)c2c[n-]n3c2nccc3=O)C(C)(C)C1=O ZINC000332749476 523882145 /nfs/dbraw/zinc/88/21/45/523882145.db2.gz UQZAIBQBEQPWTB-UHFFFAOYSA-N -1 0 303.322 -0.285 20 0 DBADRM CN1CCOC[C@@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000343938319 523934628 /nfs/dbraw/zinc/93/46/28/523934628.db2.gz PYGBNXLXZPDFNJ-ZCFIWIBFSA-N -1 0 321.384 -0.821 20 0 DBADRM COCCNS(=O)(=O)c1cccc(C(=O)NCC(=O)[O-])c1 ZINC000262616426 523961168 /nfs/dbraw/zinc/96/11/68/523961168.db2.gz LYRVXEHLYCSTBE-UHFFFAOYSA-N -1 0 316.335 -0.574 20 0 DBADRM CN1CC[C@@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)C1=O ZINC000230952806 523968051 /nfs/dbraw/zinc/96/80/51/523968051.db2.gz UHJYPCYKBBYJMB-SSDOTTSWSA-N -1 0 304.349 -0.045 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])nn1 ZINC000262216441 524000026 /nfs/dbraw/zinc/00/00/26/524000026.db2.gz LVPFNWPEGJZRIE-VIFPVBQESA-N -1 0 309.326 -0.651 20 0 DBADRM CN(C)C(=O)NCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000347677219 524006279 /nfs/dbraw/zinc/00/62/79/524006279.db2.gz AAOUPVBQNDCBTM-UHFFFAOYSA-N -1 0 320.309 -0.563 20 0 DBADRM C[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000339247404 524558934 /nfs/dbraw/zinc/55/89/34/524558934.db2.gz RHWYKPXNFIHCMQ-SSDOTTSWSA-N -1 0 308.306 -0.260 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC2(O)CCC2)C1 ZINC000331926602 524770710 /nfs/dbraw/zinc/77/07/10/524770710.db2.gz VPZBPYKFMZAPNL-WDEREUQCSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCn3cncc3C2)C1 ZINC000332581112 524871982 /nfs/dbraw/zinc/87/19/82/524871982.db2.gz BONVHWNICDIQIX-QWRGUYRKSA-N -1 0 320.349 -0.206 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC(C(C)(C)O)C2)C1 ZINC000332496023 524872694 /nfs/dbraw/zinc/87/26/94/524872694.db2.gz YGIGLPLZQDPOMF-UWVGGRQHSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCS(=O)(=O)N(C)C)C1 ZINC000263361585 524872831 /nfs/dbraw/zinc/87/28/31/524872831.db2.gz SCBZFMIVSLKXLH-UWVGGRQHSA-N -1 0 321.399 -0.370 20 0 DBADRM CS(=O)(=O)CCCC(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000332390708 525110202 /nfs/dbraw/zinc/11/02/02/525110202.db2.gz HURLNLCAHHCQIQ-UHFFFAOYSA-N -1 0 301.372 -0.090 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)N[C@@H](C(=O)[O-])C2CC2)o1 ZINC000262835908 525203790 /nfs/dbraw/zinc/20/37/90/525203790.db2.gz YNDHZQWAKNPLTB-SNVBAGLBSA-N -1 0 316.335 -0.078 20 0 DBADRM C[C@@](O)(CNC(=O)CCNC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000262446510 525768740 /nfs/dbraw/zinc/76/87/40/525768740.db2.gz DGVUYZZNXQNOGJ-CQSZACIVSA-N -1 0 312.297 -0.103 20 0 DBADRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)N1CCCC1=O ZINC000408384215 534904733 /nfs/dbraw/zinc/90/47/33/534904733.db2.gz ISINGVJNSGTDFP-CMPLNLGQSA-N -1 0 318.395 -0.132 20 0 DBADRM CSc1nc(=O)n(CC(=O)NC(=O)NCC(F)(F)F)[n-]1 ZINC000347639306 526207763 /nfs/dbraw/zinc/20/77/63/526207763.db2.gz DJGLVSRUWQUGHS-UHFFFAOYSA-N -1 0 313.261 -0.319 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)C1 ZINC000368904891 526263382 /nfs/dbraw/zinc/26/33/82/526263382.db2.gz ILDXEEZOZSIPLO-VHSXEESVSA-N -1 0 308.342 -0.642 20 0 DBADRM Cc1cc(C(=O)NCC(=O)NC2CC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000265816373 526265028 /nfs/dbraw/zinc/26/50/28/526265028.db2.gz UOVGJSVHIZGORE-UHFFFAOYSA-N -1 0 317.305 -0.247 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)C1 ZINC000331779319 526277586 /nfs/dbraw/zinc/27/75/86/526277586.db2.gz KSHGRHCFMPTGRE-GHMZBOCLSA-N -1 0 321.337 -0.625 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000262207345 526283430 /nfs/dbraw/zinc/28/34/30/526283430.db2.gz STVXNHZRFJNLNR-GHMZBOCLSA-N -1 0 322.365 -0.002 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCCOC2)CCS1(=O)=O ZINC000333363053 526284994 /nfs/dbraw/zinc/28/49/94/526284994.db2.gz DEUHCUWOKOBOCJ-BDAKNGLRSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@H]2CCCCO2)CCS1(=O)=O ZINC000333349917 526285100 /nfs/dbraw/zinc/28/51/00/526285100.db2.gz AYOAGJAPTKOWHP-ZJUUUORDSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(C3CC3)C2)C1 ZINC000331457092 526321553 /nfs/dbraw/zinc/32/15/53/526321553.db2.gz GJWLIKORMPVPLV-ZUZCIYMTSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@H]1CC[C@H]1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000262207348 526331097 /nfs/dbraw/zinc/33/10/97/526331097.db2.gz STVXNHZRFJNLNR-MNOVXSKESA-N -1 0 322.365 -0.002 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCC[C@@H]2CCOC2)CCS1(=O)=O ZINC000333603377 526331844 /nfs/dbraw/zinc/33/18/44/526331844.db2.gz QTZMRNGRSRUVTF-NXEZZACHSA-N -1 0 320.367 -0.694 20 0 DBADRM O=C([O-])[C@]1(NC(=O)Cn2ncc(=O)c3ccccc32)CCOC1 ZINC000345882496 526338717 /nfs/dbraw/zinc/33/87/17/526338717.db2.gz JBTALNHQMAKMSR-HNNXBMFYSA-N -1 0 317.301 -0.244 20 0 DBADRM O=c1nc2[nH]c(NC(O)=CC=C([O-])N=c3cc[nH][nH]3)ccc-2[nH]1 ZINC000347678092 526383504 /nfs/dbraw/zinc/38/35/04/526383504.db2.gz FOUSFIURTVOQAX-UHFFFAOYSA-N -1 0 315.293 -0.412 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)[N-]OCCO)C(=O)C1 ZINC000492505511 526408032 /nfs/dbraw/zinc/40/80/32/526408032.db2.gz FFWCVYZIAHSMEO-UHFFFAOYSA-N -1 0 317.342 -0.894 20 0 DBADRM Cc1noc(CCNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1 ZINC000230952138 526610799 /nfs/dbraw/zinc/61/07/99/526610799.db2.gz KQFLXYPBSMATKC-UHFFFAOYSA-N -1 0 314.323 -0.064 20 0 DBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N(CCO)CCO)s[n-]1 ZINC000430006950 526855356 /nfs/dbraw/zinc/85/53/56/526855356.db2.gz KUCFRYBFWFDIJY-UHFFFAOYSA-N -1 0 316.383 -0.991 20 0 DBADRM NC(=O)COc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1 ZINC000261621207 526891435 /nfs/dbraw/zinc/89/14/35/526891435.db2.gz AVHZGOVCTFARJV-NSHDSACASA-N -1 0 322.317 -0.134 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)Cc1ccccc1F)C(=O)[O-] ZINC000274888561 526903516 /nfs/dbraw/zinc/90/35/16/526903516.db2.gz FJMPRUQJYLDBJF-SECBINFHSA-N -1 0 304.299 -0.426 20 0 DBADRM O=C(N[C@H](CO)[C@H]1CCCO1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000344917495 526997394 /nfs/dbraw/zinc/99/73/94/526997394.db2.gz WXUIWSOAAFADDK-NXEZZACHSA-N -1 0 320.305 -0.294 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NC2(C(=O)[O-])CCCCC2)c1=O ZINC000261661377 527033331 /nfs/dbraw/zinc/03/33/31/527033331.db2.gz KPYJVMJHAKUOLB-UHFFFAOYSA-N -1 0 309.322 -0.549 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NCCCCCCC(=O)[O-])c1=O ZINC000261716388 527033598 /nfs/dbraw/zinc/03/35/98/527033598.db2.gz PQBBGVYJHMPXIK-UHFFFAOYSA-N -1 0 311.338 -0.302 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCCCC(=O)[O-])cnc21 ZINC000262736609 527076352 /nfs/dbraw/zinc/07/63/52/527076352.db2.gz GBQSZWDDXWYGAG-UHFFFAOYSA-N -1 0 306.278 -0.371 20 0 DBADRM Cn1cc(Cl)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000192032290 527239453 /nfs/dbraw/zinc/23/94/53/527239453.db2.gz NUKCDOKUSFBBAC-UHFFFAOYSA-N -1 0 307.759 -0.126 20 0 DBADRM Cn1cc(N2CCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)cn1 ZINC000333172456 527251238 /nfs/dbraw/zinc/25/12/38/527251238.db2.gz QEVRYFSJRUUMEN-UHFFFAOYSA-N -1 0 318.337 -0.818 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])nc1Cl ZINC000364426249 527285619 /nfs/dbraw/zinc/28/56/19/527285619.db2.gz ZQRNJNAZPBZRKE-SSDOTTSWSA-N -1 0 323.758 -0.062 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2cncc(F)c2)c(=O)n(C)c1=O ZINC000337317631 527291963 /nfs/dbraw/zinc/29/19/63/527291963.db2.gz YVTYBSKDQCCTQX-UHFFFAOYSA-N -1 0 314.298 -0.581 20 0 DBADRM NS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC000228310606 527297685 /nfs/dbraw/zinc/29/76/85/527297685.db2.gz XARDXUKWKXTGDC-UHFFFAOYSA-N -1 0 303.315 -0.507 20 0 DBADRM NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000042477513 527310587 /nfs/dbraw/zinc/31/05/87/527310587.db2.gz RRIRXHAIBWDPMM-GHMZBOCLSA-N -1 0 312.347 -0.287 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)c1 ZINC000051952521 527488505 /nfs/dbraw/zinc/48/85/05/527488505.db2.gz PQAZUDCEHXNKTO-UHFFFAOYSA-N -1 0 316.364 -0.132 20 0 DBADRM O=C([O-])C1(NC(=O)Cn2nnc3ccccc3c2=O)CCC1 ZINC000345830716 527555897 /nfs/dbraw/zinc/55/58/97/527555897.db2.gz FINGUSWTSXYALS-UHFFFAOYSA-N -1 0 302.290 -0.085 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000026467477 527634344 /nfs/dbraw/zinc/63/43/44/527634344.db2.gz SJYHGYVFYYHJLV-JTQLQIEISA-N -1 0 316.310 -0.211 20 0 DBADRM Cn1nnc2c1nccc2C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000338395403 527642281 /nfs/dbraw/zinc/64/22/81/527642281.db2.gz SZFPWBBKRDPRJX-UHFFFAOYSA-N -1 0 302.298 -0.450 20 0 DBADRM Cn1nnnc1-c1cccc(S(=O)(=O)NCCC(=O)[O-])c1 ZINC000261717971 527655023 /nfs/dbraw/zinc/65/50/23/527655023.db2.gz QPDOEBPCCZVROC-UHFFFAOYSA-N -1 0 311.323 -0.370 20 0 DBADRM COCCCN(CCOC)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000275045407 536528512 /nfs/dbraw/zinc/52/85/12/536528512.db2.gz WGVKOOGXEJCIQO-UHFFFAOYSA-N -1 0 304.372 -0.298 20 0 DBADRM COC1(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)CCOCC1 ZINC000408126200 536534720 /nfs/dbraw/zinc/53/47/20/536534720.db2.gz KXHKWSHWDYTAHV-SNVBAGLBSA-N -1 0 307.368 -0.193 20 0 DBADRM CCOC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCOC)C1 ZINC000491354206 528971417 /nfs/dbraw/zinc/97/14/17/528971417.db2.gz DOOWHRANNLNWKT-SNVBAGLBSA-N -1 0 322.383 -0.053 20 0 DBADRM CCOC(=O)N1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC000497272274 528985510 /nfs/dbraw/zinc/98/55/10/528985510.db2.gz OWRMJPUVADZFQN-UHFFFAOYSA-N -1 0 315.326 -0.732 20 0 DBADRM CC(C)N1C[C@H](NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC1=O ZINC000420543024 529099609 /nfs/dbraw/zinc/09/96/09/529099609.db2.gz CSVVHLOFMYTYNW-NXEZZACHSA-N -1 0 313.354 -0.709 20 0 DBADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)N1CCCC1=O ZINC000408384216 535140120 /nfs/dbraw/zinc/14/01/20/535140120.db2.gz ISINGVJNSGTDFP-JQWIXIFHSA-N -1 0 318.395 -0.132 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)CC1=O ZINC000408382582 535140794 /nfs/dbraw/zinc/14/07/94/535140794.db2.gz DLTQLMLBTUPYPZ-WDEREUQCSA-N -1 0 318.395 -0.274 20 0 DBADRM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)NC(C)(C)C ZINC000408063404 535254078 /nfs/dbraw/zinc/25/40/78/535254078.db2.gz QGHCHWXMLFPDAQ-VHSXEESVSA-N -1 0 315.395 -0.078 20 0 DBADRM CCN(CC)C(=O)CN(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000274900351 535421123 /nfs/dbraw/zinc/42/11/23/535421123.db2.gz PKWFGWORVCCANM-UHFFFAOYSA-N -1 0 301.372 -0.483 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)[O-] ZINC000275312606 535892241 /nfs/dbraw/zinc/89/22/41/535892241.db2.gz RMPKCMKCSQPFGR-QMMMGPOBSA-N -1 0 319.339 -0.412 20 0 DBADRM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCOC)nc1 ZINC000273174223 536319907 /nfs/dbraw/zinc/31/99/07/536319907.db2.gz FRIBVLBTAXSGAX-UHFFFAOYSA-N -1 0 309.369 -0.622 20 0 DBADRM CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1cn(C)nc1C ZINC000288564033 536402061 /nfs/dbraw/zinc/40/20/61/536402061.db2.gz KDJSYOXRNAYNRG-UHFFFAOYSA-N -1 0 312.355 -0.080 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000275135353 536440884 /nfs/dbraw/zinc/44/08/84/536440884.db2.gz VZSDWGSWQJAEIQ-IONNQARKSA-N -1 0 319.339 -0.866 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)CCc1scnc1C ZINC000289057581 536692026 /nfs/dbraw/zinc/69/20/26/536692026.db2.gz FZGAFSDDHDIYDU-QMMMGPOBSA-N -1 0 308.381 -0.553 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cncc(OC)c1 ZINC000281157559 536821557 /nfs/dbraw/zinc/82/15/57/536821557.db2.gz BFSJRRIFXWDBHG-UHFFFAOYSA-N -1 0 304.324 -0.188 20 0 DBADRM COc1ccccc1C(=O)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000371887531 536984553 /nfs/dbraw/zinc/98/45/53/536984553.db2.gz HDBKJRGCXQMQJP-NSHDSACASA-N -1 0 317.305 -0.009 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC000575398203 568586645 /nfs/dbraw/zinc/58/66/45/568586645.db2.gz ADJNUBSDZMFCRN-JTQLQIEISA-N -1 0 305.312 -0.523 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-] ZINC000170306881 568585250 /nfs/dbraw/zinc/58/52/50/568585250.db2.gz YSBOWMXXTMVLPW-LLVKDONJSA-N -1 0 305.356 -0.222 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000823951241 603629191 /nfs/dbraw/zinc/62/91/91/603629191.db2.gz HREZCLRLLZXUDZ-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000823951949 603678470 /nfs/dbraw/zinc/67/84/70/603678470.db2.gz LSOYYANJOCKQRM-QMMMGPOBSA-N -1 0 307.372 -0.440 20 0 DBADRM C[C@@H](CC(=O)N1CCSC[C@@H]1S(C)(=O)=O)NC(=O)[O-] ZINC000824598373 603682179 /nfs/dbraw/zinc/68/21/79/603682179.db2.gz CMBDYMDOJIMNRN-CBAPKCEASA-N -1 0 310.397 -0.021 20 0 DBADRM C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000828422037 601263097 /nfs/dbraw/zinc/26/30/97/601263097.db2.gz HQGYMEHFKQVTDJ-WDEREUQCSA-N -1 0 307.416 -0.090 20 0 DBADRM Cn1nnnc1SCCC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000739062698 599734897 /nfs/dbraw/zinc/73/48/97/599734897.db2.gz YSYIKLVVTHIXEO-UHFFFAOYSA-N -1 0 311.327 -0.388 20 0 DBADRM CN([C@H]1CCN(C)C1=O)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830923237 601517308 /nfs/dbraw/zinc/51/73/08/601517308.db2.gz CDXBFYQMRCCOHP-VIFPVBQESA-N -1 0 304.368 -0.266 20 0 DBADRM CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])N1CCCC1=O ZINC000736686498 599750872 /nfs/dbraw/zinc/75/08/72/599750872.db2.gz SQRNIOYEAOFQDM-CABZTGNLSA-N -1 0 314.338 -0.234 20 0 DBADRM COC(C)(C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821673631 599067189 /nfs/dbraw/zinc/06/71/89/599067189.db2.gz HMXDCPVGLJWCQC-UHFFFAOYSA-N -1 0 309.330 -0.899 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000831170586 601593953 /nfs/dbraw/zinc/59/39/53/601593953.db2.gz RJDUICTUOKIHJP-SNVBAGLBSA-N -1 0 322.383 -0.782 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000233802917 601708234 /nfs/dbraw/zinc/70/82/34/601708234.db2.gz IYXUMZZOLLXGQY-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM CC1(C)CN(S(=O)(=O)CCCC(=O)[O-])CCS1(=O)=O ZINC000828074956 601810250 /nfs/dbraw/zinc/81/02/50/601810250.db2.gz VVTSYPBQVGFALI-UHFFFAOYSA-N -1 0 313.397 -0.310 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)NC(C)C ZINC000739317967 601929220 /nfs/dbraw/zinc/92/92/20/601929220.db2.gz SMEWPJHCVFBBRX-VIFPVBQESA-N -1 0 309.388 -0.133 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738139200 599157459 /nfs/dbraw/zinc/15/74/59/599157459.db2.gz MKKRYNKRFKXBKM-MRVPVSSYSA-N -1 0 324.322 -0.890 20 0 DBADRM CC[C@@H](C)NC(=O)CCNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739247269 602853243 /nfs/dbraw/zinc/85/32/43/602853243.db2.gz VDLPTLRZPCDKMO-ZJUUUORDSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@](C)(CNC(=O)[O-])C1CC1 ZINC000739036299 603097054 /nfs/dbraw/zinc/09/70/54/603097054.db2.gz CJFRNRLILKJQPM-HQJQHLMTSA-N -1 0 307.372 -0.523 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000739926458 603268543 /nfs/dbraw/zinc/26/85/43/603268543.db2.gz IPZIBLBUUIGWDG-SECBINFHSA-N -1 0 305.356 -0.431 20 0 DBADRM CN(CC(=O)[O-])C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000739626215 596900260 /nfs/dbraw/zinc/90/02/60/596900260.db2.gz POBVUEWYBIZXBW-UHFFFAOYSA-N -1 0 319.325 -0.721 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000817750440 596904881 /nfs/dbraw/zinc/90/48/81/596904881.db2.gz VYFULFRCFVBFLH-OIBJUYFYSA-N -1 0 313.335 -0.352 20 0 DBADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCCC(=O)[O-])C1=O ZINC000818478189 596928025 /nfs/dbraw/zinc/92/80/25/596928025.db2.gz FXRWAKCOVIAFFZ-AMIZOPFISA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])C1CCN(C(=O)CCN2CCCS2(=O)=O)CC1 ZINC000740476187 596930104 /nfs/dbraw/zinc/93/01/04/596930104.db2.gz PNZXGIXQBQDQRH-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)NCCC(=O)[O-])ccn1 ZINC000818373779 596960199 /nfs/dbraw/zinc/96/01/99/596960199.db2.gz AHAOIOXHWWPGPL-UHFFFAOYSA-N -1 0 308.294 -0.687 20 0 DBADRM COc1cc(C(=O)N(C)CC(=O)[O-])sc1S(N)(=O)=O ZINC000818555963 596970424 /nfs/dbraw/zinc/97/04/24/596970424.db2.gz BPBPGHOGZUPBNC-UHFFFAOYSA-N -1 0 308.337 -0.439 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000819522102 596974889 /nfs/dbraw/zinc/97/48/89/596974889.db2.gz YBJBFQFMEDKQBZ-UHFFFAOYSA-N -1 0 321.211 -0.450 20 0 DBADRM CN(CCC(=O)[O-])C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000818439888 596987244 /nfs/dbraw/zinc/98/72/44/596987244.db2.gz JFJWVGFMFLOCRO-UHFFFAOYSA-N -1 0 318.355 -0.134 20 0 DBADRM CN(CCC(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000400139493 596992076 /nfs/dbraw/zinc/99/20/76/596992076.db2.gz VSNJZLSEMJSPAW-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)CCC(=O)[O-] ZINC000817727810 596999573 /nfs/dbraw/zinc/99/95/73/596999573.db2.gz KGVQQMCKFRZXND-ZJUUUORDSA-N -1 0 306.384 -0.573 20 0 DBADRM CCN(C(=O)[C@H](C)N(C)CCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000818190197 597002406 /nfs/dbraw/zinc/00/24/06/597002406.db2.gz IPLLXLZFCKXAFJ-QWRGUYRKSA-N -1 0 320.411 -0.183 20 0 DBADRM CC[C@H](NC(=O)N(C)CCC(=O)[O-])C(=O)N1CCOCC1 ZINC000818140733 597004992 /nfs/dbraw/zinc/00/49/92/597004992.db2.gz KFZXIEOMHYZAAW-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CN(CCC(=O)[O-])C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000818423321 597009621 /nfs/dbraw/zinc/00/96/21/597009621.db2.gz IFZYRVWYYUSDOE-UHFFFAOYSA-N -1 0 307.310 -0.065 20 0 DBADRM CN(CCC(=O)[O-])C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000737991981 597010586 /nfs/dbraw/zinc/01/05/86/597010586.db2.gz ZJPXCKSDAVUIFQ-UHFFFAOYSA-N -1 0 306.278 -0.419 20 0 DBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)CC(=O)[O-] ZINC000818922188 597017138 /nfs/dbraw/zinc/01/71/38/597017138.db2.gz ZIPHNKKCQSYVSB-UHFFFAOYSA-N -1 0 315.351 -0.403 20 0 DBADRM C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000739071426 597022042 /nfs/dbraw/zinc/02/20/42/597022042.db2.gz LSCYQOBYZPHDEH-CQSZACIVSA-N -1 0 305.290 -0.346 20 0 DBADRM CCOC(=O)c1cnc(SCC(=O)NCC(=O)[O-])nc1N ZINC000739480171 597028791 /nfs/dbraw/zinc/02/87/91/597028791.db2.gz UVFIBXWRNHNMEG-UHFFFAOYSA-N -1 0 314.323 -0.472 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000817863334 597033201 /nfs/dbraw/zinc/03/32/01/597033201.db2.gz MBOSIWAZEXVEML-SNVBAGLBSA-N -1 0 306.384 -0.668 20 0 DBADRM CC(C)[C@H](NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1)C(=O)[O-] ZINC000817956621 597037262 /nfs/dbraw/zinc/03/72/62/597037262.db2.gz VQFKIHPPWQBLHA-LBPRGKRZSA-N -1 0 321.333 -0.122 20 0 DBADRM Cc1c(NC(=O)C(=O)NCC(=O)[O-])cccc1-n1cnnn1 ZINC000740044604 597043788 /nfs/dbraw/zinc/04/37/88/597043788.db2.gz BCKQCYOKKPKRBU-UHFFFAOYSA-N -1 0 304.266 -0.890 20 0 DBADRM COC(=O)COc1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000739765579 597043838 /nfs/dbraw/zinc/04/38/38/597043838.db2.gz RCEVLRRFPUHDPR-UHFFFAOYSA-N -1 0 310.262 -0.622 20 0 DBADRM CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000739743301 597045739 /nfs/dbraw/zinc/04/57/39/597045739.db2.gz BUONGWIEZYJATL-UHFFFAOYSA-N -1 0 313.697 -0.161 20 0 DBADRM CNC(=O)c1cc(NC(=O)C(=O)NCC(=O)[O-])ccc1Cl ZINC000739746738 597045820 /nfs/dbraw/zinc/04/58/20/597045820.db2.gz WLRCUMJPQHKQCP-UHFFFAOYSA-N -1 0 313.697 -0.161 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cccc(CN2CCCC2=O)c1 ZINC000740482937 597047847 /nfs/dbraw/zinc/04/78/47/597047847.db2.gz IKMHLPXAMPPHQH-UHFFFAOYSA-N -1 0 319.317 -0.052 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)O1 ZINC000819111364 597065398 /nfs/dbraw/zinc/06/53/98/597065398.db2.gz RWRCDLSDUWUUQZ-DCAQKATOSA-N -1 0 313.354 -0.084 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)CSCC(=O)[O-])n1 ZINC000739598795 597091720 /nfs/dbraw/zinc/09/17/20/597091720.db2.gz DZGOLCTULUNBFD-UHFFFAOYSA-N -1 0 300.340 -0.272 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000769530639 597096790 /nfs/dbraw/zinc/09/67/90/597096790.db2.gz JYBNKLKBFYDWND-JTQLQIEISA-N -1 0 307.368 -0.239 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)CSCC(=O)[O-])C1 ZINC000740343114 597101736 /nfs/dbraw/zinc/10/17/36/597101736.db2.gz SPAJNDWUWSVKED-QMMMGPOBSA-N -1 0 310.397 -0.669 20 0 DBADRM Cn1ccnc1CN1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000740301476 597101839 /nfs/dbraw/zinc/10/18/39/597101839.db2.gz VYPDMXSMSVOVDS-UHFFFAOYSA-N -1 0 312.395 -0.118 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)nn1 ZINC000818369135 597104721 /nfs/dbraw/zinc/10/47/21/597104721.db2.gz ZQMIBYFQRYHIQV-SNVBAGLBSA-N -1 0 323.353 -0.307 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000737974076 597120565 /nfs/dbraw/zinc/12/05/65/597120565.db2.gz NGXRYMPPDJEZME-JTQLQIEISA-N -1 0 322.321 -0.280 20 0 DBADRM O=C([O-])[C@@H]1CCCN1C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000819231742 597164005 /nfs/dbraw/zinc/16/40/05/597164005.db2.gz VFGQDOGCWBKRCP-ZETCQYMHSA-N -1 0 306.282 -0.137 20 0 DBADRM O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000819142277 597172470 /nfs/dbraw/zinc/17/24/70/597172470.db2.gz RZHCBXYBDUWDRM-WDEREUQCSA-N -1 0 319.317 -0.213 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1)C(=O)[O-] ZINC000818023032 597215434 /nfs/dbraw/zinc/21/54/34/597215434.db2.gz QWARJSANHXUONM-SSDOTTSWSA-N -1 0 308.294 -0.689 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)C(=O)[O-] ZINC000818269697 597221408 /nfs/dbraw/zinc/22/14/08/597221408.db2.gz KHIYXHZPESEGJZ-SECBINFHSA-N -1 0 318.293 -0.420 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cccnc1-n1cncn1)C(=O)[O-] ZINC000818269836 597223213 /nfs/dbraw/zinc/22/32/13/597223213.db2.gz VCSIYRMEECHBGE-MRVPVSSYSA-N -1 0 318.293 -0.420 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)S(=O)(=O)C1CCOCC1 ZINC000817733579 597232540 /nfs/dbraw/zinc/23/25/40/597232540.db2.gz IXRMKYCRPYCEME-VHSXEESVSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(-n2ccnn2)c1)C(=O)[O-] ZINC000818021987 597261220 /nfs/dbraw/zinc/26/12/20/597261220.db2.gz AYDZQVZZOWBGRW-MRVPVSSYSA-N -1 0 303.278 -0.205 20 0 DBADRM NS(=O)(=O)CCNC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000040578952 597286518 /nfs/dbraw/zinc/28/65/18/597286518.db2.gz LDAXOKMPSWVBMM-UHFFFAOYSA-N -1 0 301.324 -0.528 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)NCCC(=O)[O-])CC2)n1C ZINC000819035879 597295092 /nfs/dbraw/zinc/29/50/92/597295092.db2.gz DWMMMLJYPCKCAD-UHFFFAOYSA-N -1 0 310.358 -0.575 20 0 DBADRM CCOC[C@@H](O)CN1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000818232587 597295122 /nfs/dbraw/zinc/29/51/22/597295122.db2.gz JMDQUJLUWVNXLB-NSHDSACASA-N -1 0 303.359 -0.814 20 0 DBADRM O=C([O-])CCNC(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000819473338 597296765 /nfs/dbraw/zinc/29/67/65/597296765.db2.gz NQGXILLYLFAPMH-UHFFFAOYSA-N -1 0 301.343 -0.619 20 0 DBADRM Cn1c(=O)ccn(CC(=O)OCc2ccc(C(=O)[O-])cc2)c1=O ZINC000819057892 597312488 /nfs/dbraw/zinc/31/24/88/597312488.db2.gz RFQYLHGXLSQYFB-UHFFFAOYSA-N -1 0 318.285 -0.011 20 0 DBADRM C[C@H](NC(=O)Nc1ccn(CCN2CCOCC2)n1)C(=O)[O-] ZINC000818039559 597320208 /nfs/dbraw/zinc/32/02/08/597320208.db2.gz GHJXZBBCVIIQNY-JTQLQIEISA-N -1 0 311.342 -0.190 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1)C(=O)[O-] ZINC000818023147 597323098 /nfs/dbraw/zinc/32/30/98/597323098.db2.gz TZSOUFARXYIKRO-WCBMZHEXSA-N -1 0 319.317 -0.182 20 0 DBADRM CN(C[C@@H]1CN(C(=O)NCCC(=O)[O-])CCO1)c1cccnn1 ZINC000818413456 597329256 /nfs/dbraw/zinc/32/92/56/597329256.db2.gz YOVSMFADTJCINB-LLVKDONJSA-N -1 0 323.353 -0.202 20 0 DBADRM COCCn1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000261700935 597353568 /nfs/dbraw/zinc/35/35/68/597353568.db2.gz OFBWSCDCDSZHRB-SECBINFHSA-N -1 0 303.340 -0.375 20 0 DBADRM O=C([O-])Cn1cc(COC(=O)c2ccc3nncn3c2)nn1 ZINC000821539171 597359415 /nfs/dbraw/zinc/35/94/15/597359415.db2.gz BZVPBZWAMQEBMG-UHFFFAOYSA-N -1 0 302.250 -0.238 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)OCc2cn(CC(=O)[O-])nn2)C1 ZINC000819731980 597361180 /nfs/dbraw/zinc/36/11/80/597361180.db2.gz QVRYDPBEGMBOHF-SNVBAGLBSA-N -1 0 310.310 -0.336 20 0 DBADRM O=C([O-])Cn1cc(COC(=O)[C@H]2CC(=O)N(C3CC3)C2)nn1 ZINC000821538787 597362983 /nfs/dbraw/zinc/36/29/83/597362983.db2.gz PBWFDFJALLRWSP-QMMMGPOBSA-N -1 0 308.294 -0.583 20 0 DBADRM COC(=O)C[C@@H](C)N1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000818502346 597368196 /nfs/dbraw/zinc/36/81/96/597368196.db2.gz WZUWUXRLQZSBCJ-SNVBAGLBSA-N -1 0 318.395 -0.100 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000820673076 597372735 /nfs/dbraw/zinc/37/27/35/597372735.db2.gz OPAYBIQUGXSKSZ-ZETCQYMHSA-N -1 0 317.323 -0.258 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000315235101 597377158 /nfs/dbraw/zinc/37/71/58/597377158.db2.gz XAXSURXZMXFBFG-SECBINFHSA-N -1 0 311.294 -0.559 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CCc2nc(-c3nc[nH]n3)no2)CCO1 ZINC000819307176 597382737 /nfs/dbraw/zinc/38/27/37/597382737.db2.gz BMZQIYQNEJHUDY-SSDOTTSWSA-N -1 0 322.281 -0.901 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc2c1oc(=O)n2C)C(=O)[O-] ZINC000820115068 597384166 /nfs/dbraw/zinc/38/41/66/597384166.db2.gz SUZWNSLMUKALDM-LURJTMIESA-N -1 0 307.262 -0.341 20 0 DBADRM Cn1cc(N2CCC[C@H](N3CCO[C@H](C(=O)[O-])C3)C2=O)cn1 ZINC000738410110 597384613 /nfs/dbraw/zinc/38/46/13/597384613.db2.gz CRTNLXUKIMHYHZ-RYUDHWBXSA-N -1 0 308.338 -0.299 20 0 DBADRM CS(=O)(=O)Cc1nc(CN2CCO[C@H](C(=O)[O-])C2)cs1 ZINC000818645199 597387012 /nfs/dbraw/zinc/38/70/12/597387012.db2.gz BTKDHHJZCLNNGC-VIFPVBQESA-N -1 0 320.392 -0.027 20 0 DBADRM O=C([O-])[C@@H]1CN(Cn2nc(CO)n(C3CC3)c2=S)CCO1 ZINC000821512448 597417093 /nfs/dbraw/zinc/41/70/93/597417093.db2.gz IHQSEUCGOILCRY-VIFPVBQESA-N -1 0 314.367 -0.016 20 0 DBADRM COC(=O)CSCCNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000818507005 597425408 /nfs/dbraw/zinc/42/54/08/597425408.db2.gz WNFUMXNIMKACGH-MRVPVSSYSA-N -1 0 306.340 -0.612 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)c1nnc2n1CCC2 ZINC000737682811 597424812 /nfs/dbraw/zinc/42/48/12/597424812.db2.gz IGHMNXAGLMMMPZ-IUCAKERBSA-N -1 0 309.326 -0.220 20 0 DBADRM COCCNC(=O)c1ccc(N2CCO[C@H](C(=O)[O-])C2)nc1 ZINC000818542874 597441093 /nfs/dbraw/zinc/44/10/93/597441093.db2.gz XBWXKEJCEBDAOM-NSHDSACASA-N -1 0 309.322 -0.252 20 0 DBADRM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000818136491 597449272 /nfs/dbraw/zinc/44/92/72/597449272.db2.gz WZSBPWDMWWMAFV-IVZWLZJFSA-N -1 0 301.343 -0.215 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCCOC[C@@H]2CCOC2)CCO1 ZINC000819310581 597449517 /nfs/dbraw/zinc/44/95/17/597449517.db2.gz IFPPUEDPHUDAJC-NWDGAFQWSA-N -1 0 316.354 -0.075 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCCOC[C@@H]2CCOC2)CCO1 ZINC000819310582 597449941 /nfs/dbraw/zinc/44/99/41/597449941.db2.gz IFPPUEDPHUDAJC-RYUDHWBXSA-N -1 0 316.354 -0.075 20 0 DBADRM O=C([O-])CNC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000819526727 597486345 /nfs/dbraw/zinc/48/63/45/597486345.db2.gz BADZFQORLFTHDP-UHFFFAOYSA-N -1 0 306.278 -0.056 20 0 DBADRM Cn1nc2c(c1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)CCC2 ZINC000821315560 597490601 /nfs/dbraw/zinc/49/06/01/597490601.db2.gz WXMVBVFPWFGFFG-MRVPVSSYSA-N -1 0 306.322 -0.220 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000825301862 607778961 /nfs/dbraw/zinc/77/89/61/607778961.db2.gz QMISVIKCUFEFEZ-UHFFFAOYSA-N -1 0 313.343 -0.489 20 0 DBADRM C[C@@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)[O-] ZINC000737703964 597494696 /nfs/dbraw/zinc/49/46/96/597494696.db2.gz LSZSOMJYHWQYBY-SSDOTTSWSA-N -1 0 300.292 -0.500 20 0 DBADRM O=C([O-])CSCC(=O)N1CCN(CCn2cncn2)CC1 ZINC000819539623 597494999 /nfs/dbraw/zinc/49/49/99/597494999.db2.gz CDJMHJPWIWZFFX-UHFFFAOYSA-N -1 0 313.383 -0.760 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)[O-] ZINC000738108142 597495386 /nfs/dbraw/zinc/49/53/86/597495386.db2.gz XQOJDOJFAKHXCK-ZCFIWIBFSA-N -1 0 303.292 -0.028 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000062118748 597495554 /nfs/dbraw/zinc/49/55/54/597495554.db2.gz IJTARWFBWPKJED-SNVBAGLBSA-N -1 0 304.368 -0.409 20 0 DBADRM C[C@H](OC(=O)COc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000737709342 597500625 /nfs/dbraw/zinc/50/06/25/597500625.db2.gz YUFNKDZHPPMQJS-ZETCQYMHSA-N -1 0 303.292 -0.271 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000819181589 597508008 /nfs/dbraw/zinc/50/80/08/597508008.db2.gz HSYAKBFKRQKVBK-NSHDSACASA-N -1 0 306.322 -0.073 20 0 DBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCCC(=O)[O-] ZINC000818113516 597512953 /nfs/dbraw/zinc/51/29/53/597512953.db2.gz PKBQZIPFWJUGRA-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM CCn1nnnc1-c1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000818363512 597514848 /nfs/dbraw/zinc/51/48/48/597514848.db2.gz GXIJICHIXQAGHE-UHFFFAOYSA-N -1 0 318.293 -0.501 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1)C(=O)[O-] ZINC000818018355 597515498 /nfs/dbraw/zinc/51/54/98/597515498.db2.gz OOPHAHOSMBNIFO-SSDOTTSWSA-N -1 0 321.268 -0.066 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1)C(=O)[O-] ZINC000818022006 597516788 /nfs/dbraw/zinc/51/67/88/597516788.db2.gz BJSUVTVPJRISGU-VIFPVBQESA-N -1 0 317.305 -0.146 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)C(=O)[O-] ZINC000818018410 597518254 /nfs/dbraw/zinc/51/82/54/597518254.db2.gz PXLHQFLLGWDDAT-QMMMGPOBSA-N -1 0 303.278 -0.205 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1-n1cnnn1 ZINC000818899045 597519580 /nfs/dbraw/zinc/51/95/80/597519580.db2.gz WJSXWMREGHJCJC-MRVPVSSYSA-N -1 0 318.293 -0.501 20 0 DBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000819040824 597519884 /nfs/dbraw/zinc/51/98/84/597519884.db2.gz GECFCGCWXZUFSR-ZETCQYMHSA-N -1 0 318.293 -0.501 20 0 DBADRM CON(C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000818552527 597520338 /nfs/dbraw/zinc/52/03/38/597520338.db2.gz SFDMYFOOTWLFCY-QMMMGPOBSA-N -1 0 323.305 -0.152 20 0 DBADRM NC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000819117111 597524521 /nfs/dbraw/zinc/52/45/21/597524521.db2.gz YPZYGENCRJLBQB-SNVBAGLBSA-N -1 0 319.317 -0.414 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000261677836 597533169 /nfs/dbraw/zinc/53/31/69/597533169.db2.gz LHOSPRRJXOFNJT-SNVBAGLBSA-N -1 0 310.372 -0.768 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)CC2 ZINC000821224365 597666457 /nfs/dbraw/zinc/66/64/57/597666457.db2.gz BBAIXGOMOZDMJF-ZJUUUORDSA-N -1 0 309.326 -0.604 20 0 DBADRM CC(=O)NCCN(CC(=O)NC1CCOCC1)[C@@H](C)C(=O)[O-] ZINC000819770326 597676266 /nfs/dbraw/zinc/67/62/66/597676266.db2.gz OHNYVHQWOYKNIN-JTQLQIEISA-N -1 0 315.370 -0.807 20 0 DBADRM CC(=O)NCCN(CC(=O)NC1CCOCC1)[C@H](C)C(=O)[O-] ZINC000819770327 597676347 /nfs/dbraw/zinc/67/63/47/597676347.db2.gz OHNYVHQWOYKNIN-SNVBAGLBSA-N -1 0 315.370 -0.807 20 0 DBADRM CC(=O)NCCN(C(=O)C[C@H]1COC(=O)C1)[C@H](C)C(=O)[O-] ZINC000819744685 597686259 /nfs/dbraw/zinc/68/62/59/597686259.db2.gz ZOUURVIJXAGEFW-PSASIEDQSA-N -1 0 300.311 -0.623 20 0 DBADRM CC(=O)NCCN(C(=O)C[C@@H]1COC(=O)C1)[C@@H](C)C(=O)[O-] ZINC000819744688 597686277 /nfs/dbraw/zinc/68/62/77/597686277.db2.gz ZOUURVIJXAGEFW-WPRPVWTQSA-N -1 0 300.311 -0.623 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C/c1cnn(C)c1)[C@H](C)C(=O)[O-] ZINC000781136916 597693669 /nfs/dbraw/zinc/69/36/69/597693669.db2.gz RFEFBZSUSURKLN-ORAHPGNNSA-N -1 0 308.338 -0.129 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H](C)CS(C)(=O)=O)[C@@H](C)C(=O)[O-] ZINC000819744320 597695039 /nfs/dbraw/zinc/69/50/39/597695039.db2.gz GCEGQKNMDVNDFC-IUCAKERBSA-N -1 0 322.383 -0.895 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccccn1 ZINC000819769869 597698793 /nfs/dbraw/zinc/69/87/93/597698793.db2.gz CDCQNBLXPIWLLK-VIFPVBQESA-N -1 0 315.351 -0.319 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NCCCCCC(=O)[O-])CCO1 ZINC000820631157 597711259 /nfs/dbraw/zinc/71/12/59/597711259.db2.gz QGNIRWGXKUXRII-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM O=C([O-])[C@@H]1CC(C(=O)NN2CN=NC2=O)=NN1c1ccccc1 ZINC000821483487 597717982 /nfs/dbraw/zinc/71/79/82/597717982.db2.gz FICVRYRAJRVKQK-JTQLQIEISA-N -1 0 316.277 -0.227 20 0 DBADRM Cn1cc(CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])nn1 ZINC000821287638 597731281 /nfs/dbraw/zinc/73/12/81/597731281.db2.gz QEGGMFXKFNGQHS-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM Cn1c2nc(Cl)n(CCCC(=O)[O-])c2c(=O)n(C)c1=O ZINC000746326145 597747676 /nfs/dbraw/zinc/74/76/76/597747676.db2.gz HSFQDBBLMNKOPX-UHFFFAOYSA-N -1 0 300.702 -0.048 20 0 DBADRM CS(=O)(=O)CCc1ccc(NCC(=O)NCC(=O)[O-])cc1 ZINC000820886188 597748270 /nfs/dbraw/zinc/74/82/70/597748270.db2.gz YLRMLLXBUHJFOE-UHFFFAOYSA-N -1 0 314.363 -0.114 20 0 DBADRM C[C@]1(c2cccs2)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000818703297 597752253 /nfs/dbraw/zinc/75/22/53/597752253.db2.gz OAFNGSQYVVRGLZ-GFCCVEGCSA-N -1 0 311.319 -0.284 20 0 DBADRM C[C@]1(c2cccnc2)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000818706514 597757054 /nfs/dbraw/zinc/75/70/54/597757054.db2.gz YZLIBDJPUUVZBJ-CYBMUJFWSA-N -1 0 306.278 -0.951 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O ZINC000821530075 597760503 /nfs/dbraw/zinc/76/05/03/597760503.db2.gz XCNGRHKAKDWZRQ-NSHDSACASA-N -1 0 319.317 -0.260 20 0 DBADRM COc1cccc(C(=O)N(C)C)c1OCC(=O)NCC(=O)[O-] ZINC000820858478 597760572 /nfs/dbraw/zinc/76/05/72/597760572.db2.gz BEBDVRHUJDMQIT-UHFFFAOYSA-N -1 0 310.306 -0.023 20 0 DBADRM COc1ccc(C(N)=NOCC(=O)NCC(=O)[O-])cc1OC ZINC000820826582 597760742 /nfs/dbraw/zinc/76/07/42/597760742.db2.gz HKLASLZPSKCHBH-UHFFFAOYSA-N -1 0 311.294 -0.249 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000821530274 597793386 /nfs/dbraw/zinc/79/33/86/597793386.db2.gz DEIZMIVGVKCMIL-LLVKDONJSA-N -1 0 320.349 -0.067 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(Cc2cccc(O)c2)CC1 ZINC000821530244 597796250 /nfs/dbraw/zinc/79/62/50/597796250.db2.gz BXUWXGOUNPFKSW-UHFFFAOYSA-N -1 0 307.350 -0.289 20 0 DBADRM O=C([O-])CCCCN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000821515953 597800562 /nfs/dbraw/zinc/80/05/62/597800562.db2.gz LZQYSBJRVMFDLB-NWDGAFQWSA-N -1 0 320.411 -0.983 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H]1COCCN1CC(=O)NCC(=O)[O-] ZINC000821202570 597808244 /nfs/dbraw/zinc/80/82/44/597808244.db2.gz OUHCEIVEAYZZIN-NSHDSACASA-N -1 0 310.354 -0.389 20 0 DBADRM CC(=O)N[C@@H](C(=O)OCC(=O)NCC(=O)[O-])C1CCCC1 ZINC000819737300 597827120 /nfs/dbraw/zinc/82/71/20/597827120.db2.gz ODGGETDQIUSEFI-GFCCVEGCSA-N -1 0 300.311 -0.575 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cnn(-c2ccccc2)n1 ZINC000821532750 597829292 /nfs/dbraw/zinc/82/92/92/597829292.db2.gz SMAYOPZVHQLCLM-UHFFFAOYSA-N -1 0 304.262 -0.375 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000821532315 597832139 /nfs/dbraw/zinc/83/21/39/597832139.db2.gz JDVQZCIILCJUKT-UHFFFAOYSA-N -1 0 305.246 -0.307 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cn(Cc2ccccc2)nn1 ZINC000821531845 597832410 /nfs/dbraw/zinc/83/24/10/597832410.db2.gz BIMAJSSXNFXXSV-UHFFFAOYSA-N -1 0 318.289 -0.316 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1CCCCN1c1ncccn1 ZINC000821532768 597833547 /nfs/dbraw/zinc/83/35/47/597833547.db2.gz VKFKSDXWCYNJOH-JTQLQIEISA-N -1 0 322.321 -0.421 20 0 DBADRM CN(CC(=O)OCC(=O)NCC(=O)[O-])c1ccc(Cl)nn1 ZINC000820574217 597834182 /nfs/dbraw/zinc/83/41/82/597834182.db2.gz ICRWWUBIVYLQFE-UHFFFAOYSA-N -1 0 316.701 -0.690 20 0 DBADRM CC(C)c1c(C(=O)OCC(=O)NCC(=O)[O-])cnc2ncnn21 ZINC000820057536 597834573 /nfs/dbraw/zinc/83/45/73/597834573.db2.gz LDKBGKWVFOZALI-UHFFFAOYSA-N -1 0 321.293 -0.395 20 0 DBADRM CC(=O)Nc1ccc(O)c(C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000819796883 597837247 /nfs/dbraw/zinc/83/72/47/597837247.db2.gz OFTYZXRQYNGFRN-UHFFFAOYSA-N -1 0 310.262 -0.292 20 0 DBADRM CCCC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820297481 597837293 /nfs/dbraw/zinc/83/72/93/597837293.db2.gz ZVCHVIUALAXCRA-SNVBAGLBSA-N -1 0 314.338 -0.088 20 0 DBADRM C[C@H](NC(=O)C1CCCCC1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000820113752 597837303 /nfs/dbraw/zinc/83/73/03/597837303.db2.gz GBLLJXXWXPUDMR-VIFPVBQESA-N -1 0 314.338 -0.185 20 0 DBADRM CC(=O)NCCNS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000036746362 600218871 /nfs/dbraw/zinc/21/88/71/600218871.db2.gz PXFOBAJTPZLXHK-UHFFFAOYSA-N -1 0 300.336 -0.060 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC000820454264 598056696 /nfs/dbraw/zinc/05/66/96/598056696.db2.gz RYRAQDDZFAPBCI-XVKPBYJWSA-N -1 0 315.351 -0.042 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000819889840 598084764 /nfs/dbraw/zinc/08/47/64/598084764.db2.gz VHDNSTSEQOUHGV-QMMMGPOBSA-N -1 0 317.342 -0.441 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)N2CC[C@H](C(=O)[O-])C2)cc1C ZINC000820637790 598093655 /nfs/dbraw/zinc/09/36/55/598093655.db2.gz VGAHLEGTNFHKDL-VIFPVBQESA-N -1 0 309.326 -0.124 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000821529004 598094064 /nfs/dbraw/zinc/09/40/64/598094064.db2.gz AIHQJEVDCBPPPQ-UHFFFAOYSA-N -1 0 303.278 -0.534 20 0 DBADRM C[S@@](=O)CCN1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000821941409 607326406 /nfs/dbraw/zinc/32/64/06/607326406.db2.gz GEBJGNLKWYQPDF-JOCHJYFZSA-N -1 0 321.410 -0.238 20 0 DBADRM C[S@](=O)CCN1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000821941410 607326433 /nfs/dbraw/zinc/32/64/33/607326433.db2.gz GEBJGNLKWYQPDF-QFIPXVFZSA-N -1 0 321.410 -0.238 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CCO1 ZINC000821510515 598161043 /nfs/dbraw/zinc/16/10/43/598161043.db2.gz GRSUUEJYJRUUAC-UHIISALHSA-N -1 0 314.338 -0.181 20 0 DBADRM Cn1nnnc1CCNC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000821314982 598161810 /nfs/dbraw/zinc/16/18/10/598161810.db2.gz FUKMWDDABZVGCK-UHFFFAOYSA-N -1 0 304.310 -0.050 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)NCCCCC(=O)[O-])c2=O ZINC000821315375 598165633 /nfs/dbraw/zinc/16/56/33/598165633.db2.gz QGODQGJKBJYCMX-UHFFFAOYSA-N -1 0 307.310 -0.499 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)NCCCCC(=O)[O-])C1 ZINC000820890698 598167034 /nfs/dbraw/zinc/16/70/34/598167034.db2.gz NIMDDGVUPWBTCA-JTQLQIEISA-N -1 0 321.399 -0.178 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)NCCCCC(=O)[O-])C1 ZINC000820641771 598167474 /nfs/dbraw/zinc/16/74/74/598167474.db2.gz YQNKUOSCVNKFRA-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(=O)NCCCCC(=O)[O-])cn1 ZINC000821298864 598168180 /nfs/dbraw/zinc/16/81/80/598168180.db2.gz YJULMFKIJGDZHO-UHFFFAOYSA-N -1 0 318.355 -0.931 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)NCCCCC(=O)[O-])n1 ZINC000820530483 598169258 /nfs/dbraw/zinc/16/92/58/598169258.db2.gz NWAUBBBOAYTLGC-UHFFFAOYSA-N -1 0 312.330 -0.257 20 0 DBADRM COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)OCC(=O)[O-] ZINC000820849780 598186100 /nfs/dbraw/zinc/18/61/00/598186100.db2.gz UPVVVIFOVTXGBN-UHFFFAOYSA-N -1 0 319.291 -0.407 20 0 DBADRM O=C([O-])CCNC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000821525597 598190053 /nfs/dbraw/zinc/19/00/53/598190053.db2.gz WQMAZHCHAONFPU-JOYOIKCWSA-N -1 0 320.367 -0.503 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC000820530394 598207186 /nfs/dbraw/zinc/20/71/86/598207186.db2.gz HXHAZDPAGCNHMM-QMMMGPOBSA-N -1 0 310.314 -0.553 20 0 DBADRM CC(C)C[C@@H](NC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O)C(=O)[O-] ZINC000819980107 598220582 /nfs/dbraw/zinc/22/05/82/598220582.db2.gz JTYFZOKTJLEIQE-FBIMIBRVSA-N -1 0 300.355 -0.123 20 0 DBADRM COCC[C@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736979637 598245018 /nfs/dbraw/zinc/24/50/18/598245018.db2.gz SRHTWXKSOAHSSV-ZETCQYMHSA-N -1 0 309.330 -0.899 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCC(C(=O)[O-])CC1 ZINC000231021182 600564678 /nfs/dbraw/zinc/56/46/78/600564678.db2.gz ICJIYIXXHMVGHE-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c[nH]1 ZINC000020560781 600685408 /nfs/dbraw/zinc/68/54/08/600685408.db2.gz LNNNOWFIVIJXSO-LURJTMIESA-N -1 0 308.337 -0.822 20 0 DBADRM CC(C)C[C@@H](CO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000735771836 598501965 /nfs/dbraw/zinc/50/19/65/598501965.db2.gz PWIPYGZGYWNZCB-QMMMGPOBSA-N -1 0 323.357 -0.917 20 0 DBADRM CCC[C@H](CCO)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821021805 607360305 /nfs/dbraw/zinc/36/03/05/607360305.db2.gz PDZFLZBOKZMJOV-SECBINFHSA-N -1 0 308.346 -0.627 20 0 DBADRM C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1nnn[n-]1 ZINC000736188093 598604064 /nfs/dbraw/zinc/60/40/64/598604064.db2.gz LFYFUGOJZTVHGK-ZCFIWIBFSA-N -1 0 301.270 -0.214 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)NCc1nnn[n-]1 ZINC000095236969 598625057 /nfs/dbraw/zinc/62/50/57/598625057.db2.gz ZVRWPBUOIZEWBE-UHFFFAOYSA-N -1 0 301.270 -0.925 20 0 DBADRM C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nnn[n-]1 ZINC000736168928 598625702 /nfs/dbraw/zinc/62/57/02/598625702.db2.gz LDUVOJVLARQCGT-SSDOTTSWSA-N -1 0 315.297 -0.537 20 0 DBADRM C[C@@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(CC(=O)[O-])C1=O ZINC000820628479 607365428 /nfs/dbraw/zinc/36/54/28/607365428.db2.gz FAYZWOYUBUQLQT-ZDUSSCGKSA-N -1 0 316.277 -0.282 20 0 DBADRM CC(C)[C@](C)(O)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000735692461 598788245 /nfs/dbraw/zinc/78/82/45/598788245.db2.gz IIPVIJPZNMZEFS-CYBMUJFWSA-N -1 0 323.357 -0.917 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)OCC(=O)NC(=O)NCC(F)(F)F ZINC000739322981 599700862 /nfs/dbraw/zinc/70/08/62/599700862.db2.gz SVOPLBLWVCKKKN-UHNVWZDZSA-N -1 0 312.200 -0.362 20 0 DBADRM Cn1c(=O)c2cc(NC(=O)CCNC(=O)[O-])cnc2n(C)c1=O ZINC000739003611 599714367 /nfs/dbraw/zinc/71/43/67/599714367.db2.gz LDJXNJGCGSLFHR-UHFFFAOYSA-N -1 0 321.293 -0.772 20 0 DBADRM O=C([O-])NCCC(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000739937081 599717726 /nfs/dbraw/zinc/71/77/26/599717726.db2.gz HIHDLDQDVQNJIO-UHFFFAOYSA-N -1 0 315.351 -0.261 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CCCNC(=O)[O-] ZINC000738165073 599719975 /nfs/dbraw/zinc/71/99/75/599719975.db2.gz KGZDZXBFJUDWHU-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CCCNC(=O)[O-] ZINC000738165071 599720130 /nfs/dbraw/zinc/72/01/30/599720130.db2.gz KGZDZXBFJUDWHU-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM CCCNC(=O)CN1CCC(NC(=O)CCNC(=O)[O-])CC1 ZINC000737024849 599720639 /nfs/dbraw/zinc/72/06/39/599720639.db2.gz LWBCWMVVRSNYSN-UHFFFAOYSA-N -1 0 314.386 -0.249 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000737350238 599725718 /nfs/dbraw/zinc/72/57/18/599725718.db2.gz OVQBWNLFVFVNMM-UHFFFAOYSA-N -1 0 300.359 -0.735 20 0 DBADRM Cc1nccn1CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000738894026 599730732 /nfs/dbraw/zinc/73/07/32/599730732.db2.gz GGJIAYVYPVRLIE-NSHDSACASA-N -1 0 308.338 -0.227 20 0 DBADRM C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(C[C@@H](F)C(=O)[O-])C1=O ZINC000736743238 599731250 /nfs/dbraw/zinc/73/12/50/599731250.db2.gz YKJZVDFPEITHAQ-OTYXRUKQSA-N -1 0 323.280 -0.025 20 0 DBADRM C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(C[C@H](F)C(=O)[O-])C1=O ZINC000736743240 599731315 /nfs/dbraw/zinc/73/13/15/599731315.db2.gz YKJZVDFPEITHAQ-XPTSAGLGSA-N -1 0 323.280 -0.025 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000736477424 599741361 /nfs/dbraw/zinc/74/13/61/599741361.db2.gz LHFTUTVFVIRMJL-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM Cc1[nH]c(C(=O)N2CCN(CC(N)=O)CC2)c(C)c1C(=O)[O-] ZINC000738162300 599741956 /nfs/dbraw/zinc/74/19/56/599741956.db2.gz VUFHCALBACAYJM-UHFFFAOYSA-N -1 0 308.338 -0.427 20 0 DBADRM Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](CO)C(=O)[O-] ZINC000036977322 599744043 /nfs/dbraw/zinc/74/40/43/599744043.db2.gz BABOQOAEZDSUPB-JTQLQIEISA-N -1 0 301.320 -0.426 20 0 DBADRM COC(=O)c1cn(CC(=O)N[C@H](CO)C(=O)[O-])c2ccccc12 ZINC000737712314 599745365 /nfs/dbraw/zinc/74/53/65/599745365.db2.gz MEUBUQWAHUSABK-LLVKDONJSA-N -1 0 320.301 -0.010 20 0 DBADRM COc1ccc([C@H](CC(=O)N[C@H](CO)C(=O)[O-])NC(C)=O)cc1 ZINC000737949809 599745368 /nfs/dbraw/zinc/74/53/68/599745368.db2.gz OXVIHZZJVGWWIN-QWHCGFSZSA-N -1 0 324.333 -0.176 20 0 DBADRM COc1ccc([C@H](CC(=O)N[C@@H](CO)C(=O)[O-])NC(C)=O)cc1 ZINC000737949813 599745420 /nfs/dbraw/zinc/74/54/20/599745420.db2.gz OXVIHZZJVGWWIN-STQMWFEESA-N -1 0 324.333 -0.176 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CN1C(=O)CSc2ccccc21 ZINC000739275307 599745794 /nfs/dbraw/zinc/74/57/94/599745794.db2.gz ZQXJCDSMAWYIFA-MRVPVSSYSA-N -1 0 310.331 -0.313 20 0 DBADRM NC(=O)c1cccnc1N1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000739183094 599753801 /nfs/dbraw/zinc/75/38/01/599753801.db2.gz ALXGXKKICFADLT-UHFFFAOYSA-N -1 0 321.337 -0.513 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(-n2cnnn2)cc1 ZINC000737609011 599754547 /nfs/dbraw/zinc/75/45/47/599754547.db2.gz SKGVBLKVLKHPIC-UHFFFAOYSA-N -1 0 319.277 -0.638 20 0 DBADRM O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000739236336 599762030 /nfs/dbraw/zinc/76/20/30/599762030.db2.gz RZHCBXYBDUWDRM-QWRGUYRKSA-N -1 0 319.317 -0.213 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000262204181 599771764 /nfs/dbraw/zinc/77/17/64/599771764.db2.gz RFUVBBOTOUBZEM-UHFFFAOYSA-N -1 0 321.333 -0.105 20 0 DBADRM Cc1ccnc(NC(=O)CN(C)CC(=O)NCCC(=O)[O-])c1 ZINC000738791832 599772059 /nfs/dbraw/zinc/77/20/59/599772059.db2.gz BRMIOWVHSZRGTF-UHFFFAOYSA-N -1 0 308.338 -0.149 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000037739521 599774691 /nfs/dbraw/zinc/77/46/91/599774691.db2.gz GTPFWLGREGYJNB-UHFFFAOYSA-N -1 0 307.349 -0.292 20 0 DBADRM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000110687025 599778241 /nfs/dbraw/zinc/77/82/41/599778241.db2.gz FMYKODNICSYACM-ZETCQYMHSA-N -1 0 302.308 -0.123 20 0 DBADRM C[C@H]1C(=O)NCCN1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000736747201 599781053 /nfs/dbraw/zinc/78/10/53/599781053.db2.gz NXKRUQFOLNHTMS-MKVDPYIPSA-N -1 0 313.379 -0.302 20 0 DBADRM C[C@@H](NC(=O)CN[C@H](C(=O)[O-])c1ccccc1)C(=O)N(C)C ZINC000736638568 599781530 /nfs/dbraw/zinc/78/15/30/599781530.db2.gz IGTYITVJMQQCDW-MFKMUULPSA-N -1 0 307.350 -0.005 20 0 DBADRM O=C([O-])NCCCC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000739952756 599783737 /nfs/dbraw/zinc/78/37/37/599783737.db2.gz DTDHKKGJWVLAJD-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM CN(CC(=O)OCC(=O)NCC(=O)[O-])C(=O)OC(C)(C)C ZINC000737406921 599785184 /nfs/dbraw/zinc/78/51/84/599785184.db2.gz SLNBADVXHQOQHZ-UHFFFAOYSA-N -1 0 304.299 -0.403 20 0 DBADRM C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736766999 599791781 /nfs/dbraw/zinc/79/17/81/599791781.db2.gz XZVFNXSSRTXBNP-GZMMTYOYSA-N -1 0 319.317 -0.036 20 0 DBADRM C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736767002 599791792 /nfs/dbraw/zinc/79/17/92/599791792.db2.gz XZVFNXSSRTXBNP-LDYMZIIASA-N -1 0 319.317 -0.036 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000736359672 599810735 /nfs/dbraw/zinc/81/07/35/599810735.db2.gz AFXXDHQLQUEVCZ-SNVBAGLBSA-N -1 0 321.399 -0.181 20 0 DBADRM COc1ccnc(N2CCN(CC(=O)NCC(=O)[O-])CC2)c1 ZINC000738143191 599814085 /nfs/dbraw/zinc/81/40/85/599814085.db2.gz LWFIYUXLNBYXHI-UHFFFAOYSA-N -1 0 308.338 -0.587 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000736363902 599822417 /nfs/dbraw/zinc/82/24/17/599822417.db2.gz QNTSTLCLCLAVEI-OQPBUACISA-N -1 0 312.326 -0.569 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cnc(C(=O)[O-])n2)C1 ZINC000737134926 599823690 /nfs/dbraw/zinc/82/36/90/599823690.db2.gz SIYBHSHLPDRWCO-SECBINFHSA-N -1 0 310.310 -0.222 20 0 DBADRM COc1ccc(C(=O)NC(=O)Cn2cnc(C(=O)[O-])n2)cc1 ZINC000737923621 599824946 /nfs/dbraw/zinc/82/49/46/599824946.db2.gz ZQQXIHFWUASHMW-UHFFFAOYSA-N -1 0 304.262 -0.059 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000736324037 599834197 /nfs/dbraw/zinc/83/41/97/599834197.db2.gz BJFZWFRGXHLUGX-SNVBAGLBSA-N -1 0 313.354 -0.118 20 0 DBADRM COc1ccc([C@H](NCC(=O)N2CCNC2=O)C(=O)[O-])cc1 ZINC000737973589 599859488 /nfs/dbraw/zinc/85/94/88/599859488.db2.gz QUXHYYZLGHAYKJ-LBPRGKRZSA-N -1 0 307.306 -0.038 20 0 DBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000738163926 599875578 /nfs/dbraw/zinc/87/55/78/599875578.db2.gz LCCYNJRXHUPFBF-UHFFFAOYSA-N -1 0 308.337 -0.579 20 0 DBADRM C[C@@H](OC(=O)c1ccc2c(c1)nnn2C)C(=O)NCC(=O)[O-] ZINC000736691298 599861517 /nfs/dbraw/zinc/86/15/17/599861517.db2.gz QGINVHWZNKTZPF-SSDOTTSWSA-N -1 0 306.278 -0.286 20 0 DBADRM NC(=O)[C@@H]1CN(S(=O)(=O)CCC(=O)[O-])c2ccccc2O1 ZINC000037464615 599874392 /nfs/dbraw/zinc/87/43/92/599874392.db2.gz RWAMDQURCYQSLL-JTQLQIEISA-N -1 0 314.319 -0.456 20 0 DBADRM CN(CCO)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000737449525 599881879 /nfs/dbraw/zinc/88/18/79/599881879.db2.gz PSJCOAOAEGTMQD-UHFFFAOYSA-N -1 0 316.335 -0.886 20 0 DBADRM COCCN1C[C@H](C(=O)NCCSCC(=O)[O-])CC1=O ZINC000389435915 599890340 /nfs/dbraw/zinc/89/03/40/599890340.db2.gz CNRVMGOQZCUQIP-SECBINFHSA-N -1 0 304.368 -0.585 20 0 DBADRM O=C([O-])CSCCNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000739862923 599891116 /nfs/dbraw/zinc/89/11/16/599891116.db2.gz MJBXBGUAUYEGJT-UHFFFAOYSA-N -1 0 323.330 -0.236 20 0 DBADRM O=C([O-])CSCCNC(=O)c1cnc2n(c1=O)CCS2 ZINC000389479674 599891187 /nfs/dbraw/zinc/89/11/87/599891187.db2.gz TVQYIMNRGBUBIE-UHFFFAOYSA-N -1 0 315.376 -0.103 20 0 DBADRM O=C([O-])CSCCNC(=O)NCCN1C(=O)CSC1=O ZINC000739861301 599900546 /nfs/dbraw/zinc/90/05/46/599900546.db2.gz SFSLFDUOEXMFPG-UHFFFAOYSA-N -1 0 321.380 -0.201 20 0 DBADRM CN(C(=O)NCCSCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000389435210 599906569 /nfs/dbraw/zinc/90/65/69/599906569.db2.gz BROKDUGYCJJPDR-QMMMGPOBSA-N -1 0 310.397 -0.367 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)COCC(=O)NCc1cccnc1 ZINC000262148915 599913493 /nfs/dbraw/zinc/91/34/93/599913493.db2.gz QVXBJGTXNBDULD-GFCCVEGCSA-N -1 0 321.333 -0.210 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCc2nnc(N(C)C)cc2C1 ZINC000736209369 599914387 /nfs/dbraw/zinc/91/43/87/599914387.db2.gz SQUYYSQYGYGTJM-SECBINFHSA-N -1 0 307.354 -0.510 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC(N(C)c2cccnn2)CC1 ZINC000736208398 599914470 /nfs/dbraw/zinc/91/44/70/599914470.db2.gz NIVCICGHOFATPC-LLVKDONJSA-N -1 0 321.381 -0.034 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC(Nc2cccnn2)CC1 ZINC000736210177 599914787 /nfs/dbraw/zinc/91/47/87/599914787.db2.gz WTJUPUPNXBHYAT-SNVBAGLBSA-N -1 0 307.354 -0.058 20 0 DBADRM CN(c1cccnn1)C1CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC000737506071 599915058 /nfs/dbraw/zinc/91/50/58/599915058.db2.gz LKVXMUKNHMMLLQ-UHFFFAOYSA-N -1 0 321.381 -0.032 20 0 DBADRM Cc1ccc(N2CCCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)nn1 ZINC000738614218 599915307 /nfs/dbraw/zinc/91/53/07/599915307.db2.gz HDCIEIJNRNSTRR-LBPRGKRZSA-N -1 0 321.381 -0.114 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCC(Nc2cccnn2)CC1 ZINC000739734991 599915579 /nfs/dbraw/zinc/91/55/79/599915579.db2.gz QXBMYGULOYHPCW-UHFFFAOYSA-N -1 0 307.354 -0.056 20 0 DBADRM CCOCCN1CCN([C@H](C)C(=O)NCC(=O)[O-])C[C@@H]1C ZINC000737177686 599916199 /nfs/dbraw/zinc/91/61/99/599916199.db2.gz ZYPSKLANVWKXAZ-NWDGAFQWSA-N -1 0 301.387 -0.382 20 0 DBADRM Cn1cc(CN2CCCN(CC(=O)NCCC(=O)[O-])CC2)cn1 ZINC000739029181 599918287 /nfs/dbraw/zinc/91/82/87/599918287.db2.gz ULMNURDMZVRUQR-UHFFFAOYSA-N -1 0 323.397 -0.481 20 0 DBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000739158392 599919489 /nfs/dbraw/zinc/91/94/89/599919489.db2.gz ZQVSLUPRKWYXKQ-MNOVXSKESA-N -1 0 319.317 -0.049 20 0 DBADRM CN(c1cccnn1)C1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000737506064 599921655 /nfs/dbraw/zinc/92/16/55/599921655.db2.gz LENVYJHWDDTSMO-UHFFFAOYSA-N -1 0 307.354 -0.422 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000739808264 599921723 /nfs/dbraw/zinc/92/17/23/599921723.db2.gz CFDUZXUGIIEZNZ-AWEZNQCLSA-N -1 0 321.377 -0.462 20 0 DBADRM CCN1CCN(C2CCN(CC(=O)NCC(=O)[O-])CC2)C1=O ZINC000737116094 599923246 /nfs/dbraw/zinc/92/32/46/599923246.db2.gz SVEPCYGMYUXSPE-UHFFFAOYSA-N -1 0 312.370 -0.591 20 0 DBADRM O=C([O-])c1csc(S(=O)(=O)N2CCCNC(=O)C2)c1 ZINC000087885290 599940296 /nfs/dbraw/zinc/94/02/96/599940296.db2.gz LDVJBTHWMVGFPX-UHFFFAOYSA-N -1 0 304.349 -0.043 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000739554402 599938215 /nfs/dbraw/zinc/93/82/15/599938215.db2.gz UVFUDTLSZWFBFJ-RYUDHWBXSA-N -1 0 308.338 -0.126 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)o1 ZINC000169796856 599941321 /nfs/dbraw/zinc/94/13/21/599941321.db2.gz XOLAJVKHWICNKL-MRVPVSSYSA-N -1 0 318.307 -0.887 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCCNC(=O)C2)cccc1C(=O)[O-] ZINC000738303161 599953392 /nfs/dbraw/zinc/95/33/92/599953392.db2.gz UOSDFODQEKCYIA-UHFFFAOYSA-N -1 0 319.317 -0.020 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(CCO)CC1)C(=O)[O-] ZINC000033450243 599960376 /nfs/dbraw/zinc/96/03/76/599960376.db2.gz BJWFJLZTWQGUKQ-AAEUAGOBSA-N -1 0 301.387 -0.788 20 0 DBADRM O=C(CN1CCO[C@H](C(=O)[O-])C1)NCCOc1ccccc1 ZINC000315435698 599975306 /nfs/dbraw/zinc/97/53/06/599975306.db2.gz WOTVTGJVNPTBET-ZDUSSCGKSA-N -1 0 308.334 -0.033 20 0 DBADRM CN(C(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-])c1ccccc1 ZINC000315358534 599980990 /nfs/dbraw/zinc/98/09/90/599980990.db2.gz IDBULOWMUAKNFX-GFCCVEGCSA-N -1 0 305.334 -0.076 20 0 DBADRM CC1CCC(NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)[O-])CC1 ZINC000315431879 599982550 /nfs/dbraw/zinc/98/25/50/599982550.db2.gz PIFGRWSRUDMPCH-MCIGGMRASA-N -1 0 311.382 -0.044 20 0 DBADRM CNC(=O)CCN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000234358088 599982810 /nfs/dbraw/zinc/98/28/10/599982810.db2.gz KUZJVBIJQJOEDZ-UHFFFAOYSA-N -1 0 307.372 -0.904 20 0 DBADRM Cc1cc(NC(=O)CCN2CCNC(=O)[C@@H]2CC(=O)[O-])no1 ZINC000387058724 599983611 /nfs/dbraw/zinc/98/36/11/599983611.db2.gz KTCMJEBAJFPPTG-VIFPVBQESA-N -1 0 310.310 -0.991 20 0 DBADRM O=C([O-])CSCCNC(=O)NCCCN1C(=O)CCC1=O ZINC000739861145 599983922 /nfs/dbraw/zinc/98/39/22/599983922.db2.gz RFTXOKZLHFTOKO-UHFFFAOYSA-N -1 0 317.367 -0.358 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1Cl ZINC000738409683 599984499 /nfs/dbraw/zinc/98/44/99/599984499.db2.gz CGEVQXANKOLUEI-ZCFIWIBFSA-N -1 0 309.731 -0.452 20 0 DBADRM CNC(=O)C1(C(=O)OCC(=O)N[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000737535441 599990813 /nfs/dbraw/zinc/99/08/13/599990813.db2.gz PNCMVYZYJZZCEF-SECBINFHSA-N -1 0 314.338 -0.329 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000315307691 600004581 /nfs/dbraw/zinc/00/45/81/600004581.db2.gz JTZNEYJJNUFWSH-NSHDSACASA-N -1 0 315.370 -0.855 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc(-n3cnnn3)cc2)CCO1 ZINC000738548964 600006533 /nfs/dbraw/zinc/00/65/33/600006533.db2.gz RQUQHAHPAAWQKX-NSHDSACASA-N -1 0 318.293 -0.020 20 0 DBADRM NC(=O)COc1cccc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000738439985 600007127 /nfs/dbraw/zinc/00/71/27/600007127.db2.gz KBPQDGVWQNXQGD-LLVKDONJSA-N -1 0 323.305 -0.132 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000737602930 600008693 /nfs/dbraw/zinc/00/86/93/600008693.db2.gz BIMVBSFXKZUUJC-VIFPVBQESA-N -1 0 314.338 -0.280 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Nc2ccc(-n3nccn3)nc2)CCO1 ZINC000738548411 600009091 /nfs/dbraw/zinc/00/90/91/600009091.db2.gz KAIABFUELQZJKA-SNVBAGLBSA-N -1 0 318.293 -0.020 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CNC(=O)OC(C)(C)C ZINC000737605021 600009552 /nfs/dbraw/zinc/00/95/52/600009552.db2.gz JDMKOTMNHYPEDA-UHFFFAOYSA-N -1 0 304.299 -0.403 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000737608847 600009790 /nfs/dbraw/zinc/00/97/90/600009790.db2.gz PQOHLGKKUIBRME-UHFFFAOYSA-N -1 0 322.273 -0.283 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000737604472 600010174 /nfs/dbraw/zinc/01/01/74/600010174.db2.gz KYCYOXOKDWTSEC-QMMMGPOBSA-N -1 0 302.327 -0.377 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1csc(NC(C)=O)n1 ZINC000737612379 600010717 /nfs/dbraw/zinc/01/07/17/600010717.db2.gz IVNSHJQFPBGYPN-UHFFFAOYSA-N -1 0 315.307 -0.199 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)Nc1ccc2c(c1)OCO2 ZINC000737615191 600014367 /nfs/dbraw/zinc/01/43/67/600014367.db2.gz IXVOVQKWWBAYJT-UHFFFAOYSA-N -1 0 324.289 -0.087 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(C)(C)C(=O)[O-] ZINC000040910484 600028545 /nfs/dbraw/zinc/02/85/45/600028545.db2.gz GHHYTECGHJXPOT-QMMMGPOBSA-N -1 0 308.356 -0.289 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000262240147 600028522 /nfs/dbraw/zinc/02/85/22/600028522.db2.gz UGPZDFXGHGVZQJ-SSDOTTSWSA-N -1 0 302.308 -0.136 20 0 DBADRM CC[C@H](C)NC(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000736887208 600031220 /nfs/dbraw/zinc/03/12/20/600031220.db2.gz QDQNTRKCWOTYCF-QMMMGPOBSA-N -1 0 307.310 -0.408 20 0 DBADRM CN(C(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O)C1CC1 ZINC000737327360 600031379 /nfs/dbraw/zinc/03/13/79/600031379.db2.gz HBLXJJSBYDHWPP-UHFFFAOYSA-N -1 0 305.294 -0.702 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCCN2CCOCC2)CCO1 ZINC000043706263 600032313 /nfs/dbraw/zinc/03/23/13/600032313.db2.gz CQVQINVFXJYBEV-LLVKDONJSA-N -1 0 301.343 -0.796 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cn(C)c(C)n1 ZINC000737576675 600034938 /nfs/dbraw/zinc/03/49/38/600034938.db2.gz UGGJDOFEAXEGSM-ZETCQYMHSA-N -1 0 305.312 -0.977 20 0 DBADRM CNC(=O)C1CCC(NC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000737535357 600039485 /nfs/dbraw/zinc/03/94/85/600039485.db2.gz LQRKRQBGCCIEKK-ILDUYXDCSA-N -1 0 313.354 -0.214 20 0 DBADRM CC(=O)NC1CCC(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000736149810 600039805 /nfs/dbraw/zinc/03/98/05/600039805.db2.gz PFURURHKFRDYFB-HTAVTVPLSA-N -1 0 313.354 -0.071 20 0 DBADRM CC1(C)COCCN1CCNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736736352 600040679 /nfs/dbraw/zinc/04/06/79/600040679.db2.gz CIFRUDAJDVFJDJ-LLVKDONJSA-N -1 0 315.370 -0.408 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)CC2 ZINC000738368369 600041084 /nfs/dbraw/zinc/04/10/84/600041084.db2.gz UQBFRVSNDTYDJV-VHSXEESVSA-N -1 0 309.326 -0.604 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1Cc1cc(=O)n2ccccc2n1 ZINC000391366150 600042373 /nfs/dbraw/zinc/04/23/73/600042373.db2.gz NEPIZSHVRSHYPP-NSHDSACASA-N -1 0 316.317 -0.530 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC(=O)N(C)C)ccc1C(=O)[O-] ZINC000738410016 600042463 /nfs/dbraw/zinc/04/24/63/600042463.db2.gz APZLCOJQTNTBGD-UHFFFAOYSA-N -1 0 307.306 -0.164 20 0 DBADRM COc1ncccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738146940 600055203 /nfs/dbraw/zinc/05/52/03/600055203.db2.gz XJNJHWMFTWOHLK-SECBINFHSA-N -1 0 309.278 -0.659 20 0 DBADRM CCCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000737025336 600071820 /nfs/dbraw/zinc/07/18/20/600071820.db2.gz UFSOXVKLKSGZLE-RYUDHWBXSA-N -1 0 311.382 -0.186 20 0 DBADRM CC(C)(CNC(=O)CCSCC(=O)[O-])NS(C)(=O)=O ZINC000736320584 600073027 /nfs/dbraw/zinc/07/30/27/600073027.db2.gz WTVUMBFPLZNINT-UHFFFAOYSA-N -1 0 312.413 -0.362 20 0 DBADRM CS(=O)(=O)CCN1CCC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000738153298 600073554 /nfs/dbraw/zinc/07/35/54/600073554.db2.gz PGMYGQJCUQMJLI-WDEREUQCSA-N -1 0 318.395 -0.668 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NCCSCC(=O)[O-] ZINC000389434492 600086546 /nfs/dbraw/zinc/08/65/46/600086546.db2.gz BCNKOGVWULIBHN-UHFFFAOYSA-N -1 0 313.401 -0.957 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)C1(C(N)=O)CC1)C(=O)[O-] ZINC000736414041 600087940 /nfs/dbraw/zinc/08/79/40/600087940.db2.gz GEKNQHCJFUWGRX-MRVPVSSYSA-N -1 0 300.311 -0.589 20 0 DBADRM CC[C@@H]1C(=O)NCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000110687132 600098407 /nfs/dbraw/zinc/09/84/07/600098407.db2.gz OJNKKWZNIMQQOY-SNVBAGLBSA-N -1 0 319.383 -0.762 20 0 DBADRM CCCCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000736996223 600105357 /nfs/dbraw/zinc/10/53/57/600105357.db2.gz UUFRBFBMPZUBNM-NEPJUHHUSA-N -1 0 311.382 -0.232 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000739544506 600105908 /nfs/dbraw/zinc/10/59/08/600105908.db2.gz IZLMIAFJTBZLJH-NEPJUHHUSA-N -1 0 309.366 -0.526 20 0 DBADRM CCCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000736950834 600106715 /nfs/dbraw/zinc/10/67/15/600106715.db2.gz FVMPSLLTOYYFTG-MRVPVSSYSA-N -1 0 318.351 -0.568 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000736211826 600106990 /nfs/dbraw/zinc/10/69/90/600106990.db2.gz PDUHAANNGNDWRR-USWWRNFRSA-N -1 0 309.366 -0.482 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000739543555 600107376 /nfs/dbraw/zinc/10/73/76/600107376.db2.gz BKOLPNSNLDEAIN-QWHCGFSZSA-N -1 0 323.393 -0.136 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000739543553 600107394 /nfs/dbraw/zinc/10/73/94/600107394.db2.gz BKOLPNSNLDEAIN-OLZOCXBDSA-N -1 0 323.393 -0.136 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000736887137 600108655 /nfs/dbraw/zinc/10/86/55/600108655.db2.gz PCBDJRYEAKDGNA-TUAOUCFPSA-N -1 0 311.382 -0.234 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000037834998 600110631 /nfs/dbraw/zinc/11/06/31/600110631.db2.gz DYELFWJISADYLJ-NXEZZACHSA-N -1 0 304.368 -0.363 20 0 DBADRM CN(C)CC(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000737360268 600110978 /nfs/dbraw/zinc/11/09/78/600110978.db2.gz KVPZSYULXLXHPU-UHFFFAOYSA-N -1 0 315.351 -0.450 20 0 DBADRM CN(C1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1)S(C)(=O)=O ZINC000262629950 600115143 /nfs/dbraw/zinc/11/51/43/600115143.db2.gz OCWJQWYFYZBAMT-UWVGGRQHSA-N -1 0 304.368 -0.411 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)CC(=O)NC1CCCC1 ZINC000739789567 600146258 /nfs/dbraw/zinc/14/62/58/600146258.db2.gz CCYFRFSSXVEHMD-UHFFFAOYSA-N -1 0 313.398 -0.236 20 0 DBADRM CCNC(=O)CNS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000036780567 600162126 /nfs/dbraw/zinc/16/21/26/600162126.db2.gz YRKHKSVVAGSMDK-UHFFFAOYSA-N -1 0 300.336 -0.060 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000739554182 600168700 /nfs/dbraw/zinc/16/87/00/600168700.db2.gz BDMPSERLOIYIQI-QWRGUYRKSA-N -1 0 324.333 -0.669 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000739555635 600168722 /nfs/dbraw/zinc/16/87/22/600168722.db2.gz FGEKQVVRKKWIAH-ZJUUUORDSA-N -1 0 313.306 -0.384 20 0 DBADRM CCN1CCN(CC(=O)Nc2cc(C)[nH]c2C(=O)[O-])C(=O)C1=O ZINC000737116217 600169032 /nfs/dbraw/zinc/16/90/32/600169032.db2.gz OZTYNBACOXVXEX-UHFFFAOYSA-N -1 0 322.321 -0.349 20 0 DBADRM C[C@H](OC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC000736685342 600170343 /nfs/dbraw/zinc/17/03/43/600170343.db2.gz OALVFULELOISFX-UJNFCWOMSA-N -1 0 312.322 -0.624 20 0 DBADRM C[C@H](OC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)Nc1ncnc2[nH]cnc21 ZINC000736682691 600170697 /nfs/dbraw/zinc/17/06/97/600170697.db2.gz GLPIBYWCYOOEDA-ACZMJKKPSA-N -1 0 319.277 -0.056 20 0 DBADRM COC(=O)C1CCN(C(=O)COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000737582776 600174373 /nfs/dbraw/zinc/17/43/73/600174373.db2.gz DDZQNCGVFFZTNE-VHSXEESVSA-N -1 0 313.306 -0.338 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)CNC(=O)c2cccs2)n[nH]1 ZINC000739900635 600182256 /nfs/dbraw/zinc/18/22/56/600182256.db2.gz NOUJDYBHYFMNSP-UHFFFAOYSA-N -1 0 309.307 -0.138 20 0 DBADRM Cc1nnc(SCc2noc(CCC(=O)[O-])n2)n(N)c1=O ZINC000738932802 600183914 /nfs/dbraw/zinc/18/39/14/600183914.db2.gz ZZANXLILOOOKOY-UHFFFAOYSA-N -1 0 312.311 -0.647 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCOC[C@H]2CCCO2)CCO1 ZINC000738546895 600190276 /nfs/dbraw/zinc/19/02/76/600190276.db2.gz SPXIJKRCWXLZOE-GHMZBOCLSA-N -1 0 302.327 -0.323 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000739539854 600192962 /nfs/dbraw/zinc/19/29/62/600192962.db2.gz XBWRFVBVZXAPPF-UWVGGRQHSA-N -1 0 316.321 -0.506 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736146861 600195181 /nfs/dbraw/zinc/19/51/81/600195181.db2.gz DAKLGSSOVGOEOP-CQSZACIVSA-N -1 0 321.333 -0.477 20 0 DBADRM C[C@@H](CS(=O)(=O)CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000736812056 600198232 /nfs/dbraw/zinc/19/82/32/600198232.db2.gz PXMLKQIZGIEHOX-LPEHRKFASA-N -1 0 307.368 -0.242 20 0 DBADRM C[C@H](CS(=O)(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC000736613564 600198309 /nfs/dbraw/zinc/19/83/09/600198309.db2.gz GBBFKGPXMHOAQQ-MRVPVSSYSA-N -1 0 320.367 -0.158 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)COC(=O)CCNC(=O)[O-] ZINC000736262910 600200639 /nfs/dbraw/zinc/20/06/39/600200639.db2.gz QFPAMEKIDBZTSA-UHFFFAOYSA-N -1 0 303.315 -0.782 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CCNC(=O)[O-])C1 ZINC000736149834 600202734 /nfs/dbraw/zinc/20/27/34/600202734.db2.gz PNZDSULEDFXDJH-SNVBAGLBSA-N -1 0 315.326 -0.686 20 0 DBADRM CCOC[C@H](O)CN1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC000737162202 600206094 /nfs/dbraw/zinc/20/60/94/600206094.db2.gz OOQLRMSAUGTKFR-LLVKDONJSA-N -1 0 310.354 -0.306 20 0 DBADRM CCOC[C@@H](O)CN1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC000737162203 600206381 /nfs/dbraw/zinc/20/63/81/600206381.db2.gz OOQLRMSAUGTKFR-NSHDSACASA-N -1 0 310.354 -0.306 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCOCC12CCC2 ZINC000826425186 607429497 /nfs/dbraw/zinc/42/94/97/607429497.db2.gz SOTJJPSZLFQCRO-UHFFFAOYSA-N -1 0 304.314 -0.760 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(N2CCCC2)nn1 ZINC000737568160 600242174 /nfs/dbraw/zinc/24/21/74/600242174.db2.gz UVJSJDRJMGZZRA-SNVBAGLBSA-N -1 0 322.321 -0.177 20 0 DBADRM NC(=O)CN1C[C@H](OC(=O)c2cccc(C(=O)[O-])c2)CC1=O ZINC000739163362 600243310 /nfs/dbraw/zinc/24/33/10/600243310.db2.gz ONSFYFDLXUUNAY-SNVBAGLBSA-N -1 0 306.274 -0.372 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc2c(c1)nnn2C)C(=O)[O-] ZINC000737589998 600243468 /nfs/dbraw/zinc/24/34/68/600243468.db2.gz GRMLLJOVFQTPPF-SECBINFHSA-N -1 0 306.278 -0.286 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H]1CSCN1C(C)=O)C(=O)[O-] ZINC000737597520 600245242 /nfs/dbraw/zinc/24/52/42/600245242.db2.gz KOBVQXHVRAPDPO-YUMQZZPRSA-N -1 0 304.324 -0.960 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H]1CSCN1C(C)=O)C(=O)[O-] ZINC000737597515 600245288 /nfs/dbraw/zinc/24/52/88/600245288.db2.gz KOBVQXHVRAPDPO-HTQZYQBOSA-N -1 0 304.324 -0.960 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)CC1CCCC1 ZINC000737562814 600245642 /nfs/dbraw/zinc/24/56/42/600245642.db2.gz BXOLGWBKSJLQDG-JTQLQIEISA-N -1 0 314.338 -0.185 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCO1)C(=O)[O-] ZINC000737598428 600245915 /nfs/dbraw/zinc/24/59/15/600245915.db2.gz PKGJTXRKYPZDHX-UTLUCORTSA-N -1 0 303.311 -0.297 20 0 DBADRM CC(C)CCC(=O)NCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000736429158 600247822 /nfs/dbraw/zinc/24/78/22/600247822.db2.gz RROPTVKPRAKIOV-SNVBAGLBSA-N -1 0 313.354 -0.660 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=S)NCCCC(=O)[O-])C1 ZINC000738158078 600248301 /nfs/dbraw/zinc/24/83/01/600248301.db2.gz QBXUYRAEYLUMNN-MRVPVSSYSA-N -1 0 309.413 -0.651 20 0 DBADRM Cn1cc(C(=O)OCc2ccc(C(=O)[O-])o2)c(=O)n(C)c1=O ZINC000739028426 600249962 /nfs/dbraw/zinc/24/99/62/600249962.db2.gz VKPHTSXWKDNVJM-UHFFFAOYSA-N -1 0 308.246 -0.268 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccc(-n2cccn2)n1 ZINC000737608560 600251947 /nfs/dbraw/zinc/25/19/47/600251947.db2.gz JJBCJFUWFGCCQR-UHFFFAOYSA-N -1 0 318.289 -0.033 20 0 DBADRM Cn1cc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000739027605 600258365 /nfs/dbraw/zinc/25/83/65/600258365.db2.gz UVRBGEUBKGPBMY-SNVBAGLBSA-N -1 0 321.333 -0.589 20 0 DBADRM Cc1[nH]c(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c(C)c1C(=O)[O-] ZINC000738162135 600258988 /nfs/dbraw/zinc/25/89/88/600258988.db2.gz UBHHQDOWPJSXNQ-AWEZNQCLSA-N -1 0 320.305 -0.246 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000740315916 600259443 /nfs/dbraw/zinc/25/94/43/600259443.db2.gz JANJGUIRXXWKDV-AWEZNQCLSA-N -1 0 303.274 -0.191 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000737615177 600259777 /nfs/dbraw/zinc/25/97/77/600259777.db2.gz IQRPHGLHDJSFRE-AWEZNQCLSA-N -1 0 314.338 -0.075 20 0 DBADRM CCO[C@@H](C)c1noc(CN2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC000737156351 600261143 /nfs/dbraw/zinc/26/11/43/600261143.db2.gz DLAKLMMBPVEJII-DTWKUNHWSA-N -1 0 312.326 -0.058 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1ccc[nH]c1=O ZINC000739786230 600264350 /nfs/dbraw/zinc/26/43/50/600264350.db2.gz MEIGWYLWTLJLSW-UHFFFAOYSA-N -1 0 309.322 -0.354 20 0 DBADRM Cn1cc(C(=O)OCc2occc2C(=O)[O-])c(=O)n(C)c1=O ZINC000739026287 600267508 /nfs/dbraw/zinc/26/75/08/600267508.db2.gz IPADHWKTWRGMSY-UHFFFAOYSA-N -1 0 308.246 -0.268 20 0 DBADRM Cc1cc(NCCN2C(=O)CCC2=O)n2nc(C(=O)[O-])nc2n1 ZINC000738459914 600282174 /nfs/dbraw/zinc/28/21/74/600282174.db2.gz MKCBGEHBCQJQEA-UHFFFAOYSA-N -1 0 318.293 -0.308 20 0 DBADRM CN(C(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-])c1nccs1 ZINC000737321138 600286186 /nfs/dbraw/zinc/28/61/86/600286186.db2.gz BMVZCCKRNAAGSY-MRVPVSSYSA-N -1 0 312.351 -0.619 20 0 DBADRM CCN(CCC(=O)N(C)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737094130 600286903 /nfs/dbraw/zinc/28/69/03/600286903.db2.gz NXHFRFUQMJUKSM-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000739635992 600286929 /nfs/dbraw/zinc/28/69/29/600286929.db2.gz XUPKGZAEZLQXBZ-JGVFFNPUSA-N -1 0 323.271 -0.575 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCN(C(=O)N2CCCC2)CC1 ZINC000739805848 600287720 /nfs/dbraw/zinc/28/77/20/600287720.db2.gz KEWKLCVEFWMWQA-UHFFFAOYSA-N -1 0 312.370 -0.589 20 0 DBADRM O=C([O-])[C@H]1CN(CCN2C(=O)CNC2=O)c2ccccc2O1 ZINC000739615370 600288177 /nfs/dbraw/zinc/28/81/77/600288177.db2.gz AJISCNSPRSQJTP-LLVKDONJSA-N -1 0 305.290 -0.110 20 0 DBADRM CC(C)COC(=O)N1CCN(CCC(=O)NCC(=O)[O-])CC1 ZINC000736444248 600294245 /nfs/dbraw/zinc/29/42/45/600294245.db2.gz RQFAIKDSOFFUMH-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000739806845 600296433 /nfs/dbraw/zinc/29/64/33/600296433.db2.gz OVXYFBUOLZCTMZ-JTQLQIEISA-N -1 0 324.337 -0.089 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737540228 600298955 /nfs/dbraw/zinc/29/89/55/600298955.db2.gz LCUVJIHULHFRJR-UHFFFAOYSA-N -1 0 313.697 -0.161 20 0 DBADRM O=C([O-])/C=C1\SCC(=O)N1CCCN1CCS(=O)CC1 ZINC000739625286 600300261 /nfs/dbraw/zinc/30/02/61/600300261.db2.gz NXUCILJTGMUEEK-FLIBITNWSA-N -1 0 318.420 -0.058 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)CN2CCS(=O)CC2)n1 ZINC000738632077 600300639 /nfs/dbraw/zinc/30/06/39/600300639.db2.gz NKZMJAXCUREVDY-UHFFFAOYSA-N -1 0 317.392 -0.227 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736146871 600307433 /nfs/dbraw/zinc/30/74/33/600307433.db2.gz DIFPGTULHHCUNX-UHFFFAOYSA-N -1 0 322.321 -0.355 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NCC(=O)c1cccs1 ZINC000739295964 600310109 /nfs/dbraw/zinc/31/01/09/600310109.db2.gz XPOLAUMCNABNPL-BDAKNGLRSA-N -1 0 312.347 -0.433 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)Cc1cn2cccnc2n1 ZINC000739789533 600316491 /nfs/dbraw/zinc/31/64/91/600316491.db2.gz BKKUNHZMXLGTNT-UHFFFAOYSA-N -1 0 319.365 -0.052 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cnc(C3CC3)nc2)CCO1 ZINC000739490059 600320705 /nfs/dbraw/zinc/32/07/05/600320705.db2.gz ZXXNEVHAXNDPMT-JTQLQIEISA-N -1 0 320.305 -0.396 20 0 DBADRM CCNC(=O)CN(C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000070197665 600340741 /nfs/dbraw/zinc/34/07/41/600340741.db2.gz UZYNWALDFHTQRH-UHFFFAOYSA-N -1 0 304.328 -0.827 20 0 DBADRM COC(=O)CCNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000737598666 600333262 /nfs/dbraw/zinc/33/32/62/600333262.db2.gz HZYJDOVTJMKBCC-UHFFFAOYSA-N -1 0 324.289 -0.232 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000738588768 600333545 /nfs/dbraw/zinc/33/35/45/600333545.db2.gz QFHGWDPGANNPEU-UHFFFAOYSA-N -1 0 304.266 -0.808 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000738589292 600333857 /nfs/dbraw/zinc/33/38/57/600333857.db2.gz WXBLVCSMNNUTQE-UHFFFAOYSA-N -1 0 321.268 -0.064 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405406943 600342910 /nfs/dbraw/zinc/34/29/10/600342910.db2.gz JQIRALPXVNTKDJ-VIFPVBQESA-N -1 0 319.383 -0.568 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC000736588069 600345610 /nfs/dbraw/zinc/34/56/10/600345610.db2.gz KTFNDTBKOBPJED-QMMMGPOBSA-N -1 0 323.305 -0.674 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000737540081 600347602 /nfs/dbraw/zinc/34/76/02/600347602.db2.gz KTJWKFKNGUNLQV-SECBINFHSA-N -1 0 321.333 -0.250 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)CCn2cccn2)c1C(=O)[O-] ZINC000738338837 600347921 /nfs/dbraw/zinc/34/79/21/600347921.db2.gz VVBVZIRQFNBTNZ-UHFFFAOYSA-N -1 0 313.339 -0.066 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)NCCn2cncn2)cc1 ZINC000739877074 600348469 /nfs/dbraw/zinc/34/84/69/600348469.db2.gz JNLTZAWMDFSHDO-UHFFFAOYSA-N -1 0 317.305 -0.340 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737539435 600361100 /nfs/dbraw/zinc/36/11/00/600361100.db2.gz FOHUKEAWRSHGSN-UHFFFAOYSA-N -1 0 322.321 -0.403 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1cccc(C(=O)[O-])c1O ZINC000736147231 600362446 /nfs/dbraw/zinc/36/24/46/600362446.db2.gz GPNHUARYPXTGKX-UHFFFAOYSA-N -1 0 309.278 -0.719 20 0 DBADRM C[C@@H](OC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)NCC(=O)[O-] ZINC000736689355 600366954 /nfs/dbraw/zinc/36/69/54/600366954.db2.gz JXYJPSJMQXAZJS-ZCFIWIBFSA-N -1 0 320.257 -0.684 20 0 DBADRM O=C(COC(=O)[C@@H]1CNC(=O)N1)Nc1ccccc1C(=O)[O-] ZINC000738470306 600369804 /nfs/dbraw/zinc/36/98/04/600369804.db2.gz AQCRJPPKNVFMPM-VIFPVBQESA-N -1 0 307.262 -0.452 20 0 DBADRM C[C@H](CN(C)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000736576369 600376728 /nfs/dbraw/zinc/37/67/28/600376728.db2.gz YUNLPRHJWVGNEP-GMTAPVOTSA-N -1 0 320.411 -0.327 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CSc1nnnn1C1CC1 ZINC000049606766 600386042 /nfs/dbraw/zinc/38/60/42/600386042.db2.gz CGMMHKBVCZESKE-UHFFFAOYSA-N -1 0 315.355 -0.340 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)CCSCC(=O)[O-] ZINC000739194033 600389539 /nfs/dbraw/zinc/38/95/39/600389539.db2.gz XHHOEWQGOKYIDP-MRVPVSSYSA-N -1 0 310.397 -0.526 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cnn2ccc(C)nc12 ZINC000737578041 600413136 /nfs/dbraw/zinc/41/31/36/600413136.db2.gz XOCITEWXCCKVFN-VIFPVBQESA-N -1 0 306.278 -0.216 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)N[C@](C)(C(C)C)C1=O ZINC000737616145 600417867 /nfs/dbraw/zinc/41/78/67/600417867.db2.gz STZFMLVGTUTZQN-CYBMUJFWSA-N -1 0 315.326 -0.530 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)N[C@@](C)(C(C)C)C1=O ZINC000737616147 600418113 /nfs/dbraw/zinc/41/81/13/600418113.db2.gz STZFMLVGTUTZQN-ZDUSSCGKSA-N -1 0 315.326 -0.530 20 0 DBADRM CC(C)(CCC(=O)[O-])NC(=O)CN1CCS(=O)(=O)CC1 ZINC000736314288 600418475 /nfs/dbraw/zinc/41/84/75/600418475.db2.gz OUPWBSLWQISEOK-UHFFFAOYSA-N -1 0 306.384 -0.524 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])N1CCS(=O)CC1 ZINC000736320213 600418852 /nfs/dbraw/zinc/41/88/52/600418852.db2.gz LRWWEBLQHUKAGX-ZJUUUORDSA-N -1 0 302.396 -0.334 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC000737516294 600418966 /nfs/dbraw/zinc/41/89/66/600418966.db2.gz UKRQLBYVRJNQPG-UHFFFAOYSA-N -1 0 320.349 -0.326 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000262365053 600420621 /nfs/dbraw/zinc/42/06/21/600420621.db2.gz DVQUISPZEJAFMZ-UHFFFAOYSA-N -1 0 305.308 -0.144 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000737770276 600421560 /nfs/dbraw/zinc/42/15/60/600421560.db2.gz XYGOSIGCKSVRGE-UHFFFAOYSA-N -1 0 322.325 -0.651 20 0 DBADRM Cc1cnn(C[C@H]2CN(Cn3cc(C(=O)[O-])nn3)CCO2)c1 ZINC000738811736 600431538 /nfs/dbraw/zinc/43/15/38/600431538.db2.gz KRRQIHGPQGZDQL-LLVKDONJSA-N -1 0 306.326 -0.160 20 0 DBADRM O=C([O-])[C@@H]1CCCN1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000739587246 600436627 /nfs/dbraw/zinc/43/66/27/600436627.db2.gz GMTIKBKOYJWTPV-LBPRGKRZSA-N -1 0 309.366 -0.384 20 0 DBADRM Nc1c(C(=O)CN2CCC[C@@H]2C(=O)[O-])c(=O)[nH]c(=O)n1C1CC1 ZINC000739201942 600437593 /nfs/dbraw/zinc/43/75/93/600437593.db2.gz XNLGYESEYYBQMX-MRVPVSSYSA-N -1 0 322.321 -0.402 20 0 DBADRM CN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000690133482 600449641 /nfs/dbraw/zinc/44/96/41/600449641.db2.gz XJKRZHIRYNNWDK-SSDOTTSWSA-N -1 0 302.308 -0.171 20 0 DBADRM C[C@H]1CN(C(=O)NCCSCC(=O)[O-])CCS1(=O)=O ZINC000707501471 600458667 /nfs/dbraw/zinc/45/86/67/600458667.db2.gz SOSZUXURTDZTOH-QMMMGPOBSA-N -1 0 310.397 -0.367 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)NCCSCC(=O)[O-] ZINC000688549600 600465326 /nfs/dbraw/zinc/46/53/26/600465326.db2.gz ULOGVXMMZGACPR-MRVPVSSYSA-N -1 0 312.413 -0.121 20 0 DBADRM CC(C)C[C@H](NC(=O)CN(C)[C@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000736411404 600467343 /nfs/dbraw/zinc/46/73/43/600467343.db2.gz GQJSTJBJBKYAPB-MNOVXSKESA-N -1 0 322.427 -0.033 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN(C)[C@@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000736878118 600467605 /nfs/dbraw/zinc/46/76/05/600467605.db2.gz LLUOIBOYHJURFM-NHCYSSNCSA-N -1 0 322.427 -0.033 20 0 DBADRM CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000737530361 600468995 /nfs/dbraw/zinc/46/89/95/600468995.db2.gz UQNGLZPUSCJTIX-LBPRGKRZSA-N -1 0 321.333 -0.230 20 0 DBADRM COC(=O)c1ncn(CC(=O)NC2(C(=O)[O-])CCCCC2)n1 ZINC000737714950 600473923 /nfs/dbraw/zinc/47/39/23/600473923.db2.gz UJQSILGINVTORT-UHFFFAOYSA-N -1 0 310.310 -0.032 20 0 DBADRM NC(=O)CSCC(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000739161810 600485874 /nfs/dbraw/zinc/48/58/74/600485874.db2.gz UUXRGJHBXOZPBN-UHFFFAOYSA-N -1 0 312.347 -0.015 20 0 DBADRM CCS(=O)(=O)CCN(CCN1CCOCC1)CC(=O)[O-] ZINC000737220226 600489208 /nfs/dbraw/zinc/48/92/08/600489208.db2.gz KOLDTLZFVPKOQG-UHFFFAOYSA-N -1 0 308.400 -0.860 20 0 DBADRM CN(C)C(=O)C1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000037836997 600491164 /nfs/dbraw/zinc/49/11/64/600491164.db2.gz MYTJMHVZQZJKRJ-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM Cc1nc2n(n1)C[C@H](NS(=O)(=O)CCCC(=O)[O-])CC2 ZINC000738367424 600498497 /nfs/dbraw/zinc/49/84/97/600498497.db2.gz KVRMYTKKGLBPPW-SECBINFHSA-N -1 0 302.356 -0.314 20 0 DBADRM C[C@@H](NS(=O)(=O)CCCC(=O)[O-])[C@H](C)N1CCOCC1 ZINC000736665816 600498527 /nfs/dbraw/zinc/49/85/27/600498527.db2.gz ZJAQNRSOGGVBNZ-MNOVXSKESA-N -1 0 308.400 -0.120 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)CN1CCCNC1=O ZINC000532003106 600501081 /nfs/dbraw/zinc/50/10/81/600501081.db2.gz FOSRKFBIVBXGTQ-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN(C)CCN1CCOCC1)C(=O)[O-] ZINC000736413008 600508264 /nfs/dbraw/zinc/50/82/64/600508264.db2.gz QWAQYQLXTGKULR-CYBMUJFWSA-N -1 0 315.414 -0.134 20 0 DBADRM CC(C)C[C@H](NC(=O)CN(C)CCN1CCOCC1)C(=O)[O-] ZINC000736413011 600508489 /nfs/dbraw/zinc/50/84/89/600508489.db2.gz QWAQYQLXTGKULR-ZDUSSCGKSA-N -1 0 315.414 -0.134 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN(C)CCN1CCOCC1)C(=O)[O-] ZINC000736879058 600508589 /nfs/dbraw/zinc/50/85/89/600508589.db2.gz OXKPTBNKJVKNFF-GXTWGEPZSA-N -1 0 315.414 -0.134 20 0 DBADRM CCN(C)C(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000737066602 600523941 /nfs/dbraw/zinc/52/39/41/600523941.db2.gz FKBDVNVLBWNQOX-UHFFFAOYSA-N -1 0 321.333 -0.153 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000390354195 600531965 /nfs/dbraw/zinc/53/19/65/600531965.db2.gz MQXQHRZZWYUZGJ-UHFFFAOYSA-N -1 0 319.339 -0.284 20 0 DBADRM CCN(CCC(=O)N(C)CC(=O)[O-])[C@@H](C)CS(C)(=O)=O ZINC000737094624 600542815 /nfs/dbraw/zinc/54/28/15/600542815.db2.gz ZVLXOXWHHBWXQJ-JTQLQIEISA-N -1 0 308.400 -0.326 20 0 DBADRM C[C@H](O)CCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000736676420 600549894 /nfs/dbraw/zinc/54/98/94/600549894.db2.gz MLHCPOUKXRBBKS-CABZTGNLSA-N -1 0 322.317 -0.248 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1C ZINC000738932279 600550248 /nfs/dbraw/zinc/55/02/48/600550248.db2.gz SXOPXCAWDHOSJX-GHMZBOCLSA-N -1 0 307.354 -0.512 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1=O ZINC000737506274 600552566 /nfs/dbraw/zinc/55/25/66/600552566.db2.gz AGIQQAMIQYUUSA-UHFFFAOYSA-N -1 0 323.236 -0.117 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c(=O)n(C)c1=O ZINC000739027562 600553375 /nfs/dbraw/zinc/55/33/75/600553375.db2.gz PXSKIHVFAFNGTL-JMEBYUIHSA-N -1 0 323.349 -0.287 20 0 DBADRM C[C@H](CNC(=O)Nc1ccn(CC(=O)[O-])n1)N1CCOCC1 ZINC000736599526 600570468 /nfs/dbraw/zinc/57/04/68/600570468.db2.gz WKYDSDPCXPPFTK-SNVBAGLBSA-N -1 0 311.342 -0.190 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCn2c(nnc2C(F)(F)F)C1 ZINC000736208355 600575165 /nfs/dbraw/zinc/57/51/65/600575165.db2.gz MUCFBEOEWFFWAX-ZCFIWIBFSA-N -1 0 321.259 -0.298 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000049099001 600579250 /nfs/dbraw/zinc/57/92/50/600579250.db2.gz LAHBQIDDVMLWHB-ZETCQYMHSA-N -1 0 316.335 -0.194 20 0 DBADRM CC(C)N(CCC(=O)[O-])C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000736461361 600596106 /nfs/dbraw/zinc/59/61/06/600596106.db2.gz PIPNQDKRCPLQMD-UHFFFAOYSA-N -1 0 321.399 -0.386 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)CCN1CCCS1(=O)=O ZINC000737785133 600620167 /nfs/dbraw/zinc/62/01/67/600620167.db2.gz KQFODPXMTSTXRF-UHFFFAOYSA-N -1 0 322.383 -0.638 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccnc(-n2cccn2)c1 ZINC000739812270 600620197 /nfs/dbraw/zinc/62/01/97/600620197.db2.gz BXOKRUWDKBQWBR-UHFFFAOYSA-N -1 0 304.262 -0.375 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)NC1CCN(C(=O)[O-])CC1 ZINC000736388693 600631204 /nfs/dbraw/zinc/63/12/04/600631204.db2.gz CPRLBENOWOILDC-JTQLQIEISA-N -1 0 321.399 -0.181 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)CSc1nncn1C ZINC000737788603 600633277 /nfs/dbraw/zinc/63/32/77/600633277.db2.gz IKLIOMLWEOZQKO-UHFFFAOYSA-N -1 0 302.356 -0.143 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)NCC(=O)NC2CC2)cc1 ZINC000036782532 600645786 /nfs/dbraw/zinc/64/57/86/600645786.db2.gz ROKMDPCLNXZTDM-UHFFFAOYSA-N -1 0 312.347 -0.129 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000739198542 600648409 /nfs/dbraw/zinc/64/84/09/600648409.db2.gz ZGZLAFDTUWDAOU-IUCAKERBSA-N -1 0 316.310 -0.190 20 0 DBADRM CC(C)C(=O)NCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000393025575 600694556 /nfs/dbraw/zinc/69/45/56/600694556.db2.gz FOJGVSCYMDDHOE-UHFFFAOYSA-N -1 0 303.340 -0.237 20 0 DBADRM CC(C)C(=O)NCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000393052387 600694575 /nfs/dbraw/zinc/69/45/75/600694575.db2.gz GYVYIPCJPPGNSW-UHFFFAOYSA-N -1 0 318.355 -0.982 20 0 DBADRM CC(C)OC(=O)CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000826990693 600696406 /nfs/dbraw/zinc/69/64/06/600696406.db2.gz XNOJPYKCDSJNIO-UHFFFAOYSA-N -1 0 319.339 -0.412 20 0 DBADRM CS(=O)(=O)NCCC(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000738164885 600698297 /nfs/dbraw/zinc/69/82/97/600698297.db2.gz GGLUYFSEJVPFTR-QMMMGPOBSA-N -1 0 310.397 -0.656 20 0 DBADRM CCOC(=O)CCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000081134364 600701276 /nfs/dbraw/zinc/70/12/76/600701276.db2.gz MPHKYAJTJIUKLC-UHFFFAOYSA-N -1 0 319.339 -0.411 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)[C@@H]1CCCO1 ZINC000035734752 600704200 /nfs/dbraw/zinc/70/42/00/600704200.db2.gz MWSDJVANXWEVIG-WPRPVWTQSA-N -1 0 303.340 -0.187 20 0 DBADRM CC(C)CN(CC(N)=O)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000037838013 600704645 /nfs/dbraw/zinc/70/46/45/600704645.db2.gz BSSLQSLIOFBMTJ-UHFFFAOYSA-N -1 0 318.355 -0.900 20 0 DBADRM COC(=O)c1ncn(CN2CCSC[C@H]2CC(=O)[O-])n1 ZINC000737713951 600704683 /nfs/dbraw/zinc/70/46/83/600704683.db2.gz NRDMIZDIENWSOW-MRVPVSSYSA-N -1 0 300.340 -0.086 20 0 DBADRM CNC(=O)c1cccc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])c1 ZINC000831015632 600705765 /nfs/dbraw/zinc/70/57/65/600705765.db2.gz ADTPIDJRKCRYGM-MRVPVSSYSA-N -1 0 308.290 -0.208 20 0 DBADRM COC(=O)CN(C(C)C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000037837271 600709406 /nfs/dbraw/zinc/70/94/06/600709406.db2.gz NZPOCLSOTYCZGO-UHFFFAOYSA-N -1 0 319.339 -0.460 20 0 DBADRM C[C@H](OC(=O)c1cn(CC(N)=O)nn1)c1ccc(C(=O)[O-])o1 ZINC000827867454 600712500 /nfs/dbraw/zinc/71/25/00/600712500.db2.gz OKVUWJWPBWFKJI-LURJTMIESA-N -1 0 308.250 -0.027 20 0 DBADRM NC(=O)CC1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000037838208 600713712 /nfs/dbraw/zinc/71/37/12/600713712.db2.gz NKKRFHNAZMJFPB-UHFFFAOYSA-N -1 0 315.351 -0.011 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000390126278 600715089 /nfs/dbraw/zinc/71/50/89/600715089.db2.gz ZIDAYVHNDNXTMU-VIFPVBQESA-N -1 0 307.372 -0.568 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCNc2cnccn2)c[nH]1 ZINC000833304220 600724617 /nfs/dbraw/zinc/72/46/17/600724617.db2.gz GSDJXRAUNQGKID-UHFFFAOYSA-N -1 0 311.323 -0.107 20 0 DBADRM CCCN(CC(=O)[O-])CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000038021458 600739683 /nfs/dbraw/zinc/73/96/83/600739683.db2.gz UAICXJKDHNOZIH-LLVKDONJSA-N -1 0 320.411 -0.181 20 0 DBADRM CC(C)(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)NS(C)(=O)=O ZINC000111774691 600749405 /nfs/dbraw/zinc/74/94/05/600749405.db2.gz XTYCWZNBJGIBRQ-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM NC(=O)C1(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCCC1 ZINC000833082850 600753013 /nfs/dbraw/zinc/75/30/13/600753013.db2.gz RMDNWWASWQNYDT-UHFFFAOYSA-N -1 0 319.383 -0.585 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(C)C ZINC000086696253 600763500 /nfs/dbraw/zinc/76/35/00/600763500.db2.gz OAJFFIZZIRWFBP-SNVBAGLBSA-N -1 0 305.356 -0.083 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=S)NCCCC(=O)[O-])CCO1 ZINC000737135919 600765302 /nfs/dbraw/zinc/76/53/02/600765302.db2.gz NGMRBKVKDHIMGD-VIFPVBQESA-N -1 0 304.368 -0.010 20 0 DBADRM CN([C@H]1CCCN(C)C1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000053244767 600765915 /nfs/dbraw/zinc/76/59/15/600765915.db2.gz RAYDRHRRULQOLO-JTQLQIEISA-N -1 0 316.383 -0.318 20 0 DBADRM CCS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000233830616 600779373 /nfs/dbraw/zinc/77/93/73/600779373.db2.gz MRCQESPYZNUSKB-UHFFFAOYSA-N -1 0 324.380 -0.564 20 0 DBADRM CN(CCS(C)(=O)=O)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000094299094 600779514 /nfs/dbraw/zinc/77/95/14/600779514.db2.gz GXFXYSGHPCJCFV-UHFFFAOYSA-N -1 0 324.380 -0.612 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000833228328 600784667 /nfs/dbraw/zinc/78/46/67/600784667.db2.gz LRVDHJDPYMWVPA-LBPRGKRZSA-N -1 0 320.411 -0.022 20 0 DBADRM CCC(CC)(NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000094240541 600790057 /nfs/dbraw/zinc/79/00/57/600790057.db2.gz ACKCTXJISHWQGP-UHFFFAOYSA-N -1 0 301.386 -0.406 20 0 DBADRM CCN1CC[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000389276457 600792520 /nfs/dbraw/zinc/79/25/20/600792520.db2.gz GWGBMUKFVREKQR-SECBINFHSA-N -1 0 302.356 -0.660 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCc2nnnn2C2CC2)o1 ZINC000833323392 600793831 /nfs/dbraw/zinc/79/38/31/600793831.db2.gz KNHRQRGGBHWDMY-UHFFFAOYSA-N -1 0 313.295 -0.222 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)CCCC(=O)[O-])CC1=O ZINC000828200841 600796458 /nfs/dbraw/zinc/79/64/58/600796458.db2.gz JKWHPMNBZFOUSW-BBBLOLIVSA-N -1 0 304.368 -0.220 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000738180130 600803003 /nfs/dbraw/zinc/80/30/03/600803003.db2.gz RNCSXCHTSWBGKO-HXUWFJFHSA-N -1 0 305.400 -0.443 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1Cc1nc(CC(F)(F)F)no1 ZINC000833208179 600816913 /nfs/dbraw/zinc/81/69/13/600816913.db2.gz VKFWGUQXCGNSFX-LURJTMIESA-N -1 0 322.243 -0.051 20 0 DBADRM CCn1nc2c(cc1=O)CN([C@H](C)C(=O)NCC(=O)[O-])CC2 ZINC000830445732 600827195 /nfs/dbraw/zinc/82/71/95/600827195.db2.gz RKUDBNMGWZHDSI-SECBINFHSA-N -1 0 308.338 -0.789 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCCn3ncnc32)cc1C(=O)[O-] ZINC000833053810 600828356 /nfs/dbraw/zinc/82/83/56/600828356.db2.gz RSLQCHCIISWDLJ-UHFFFAOYSA-N -1 0 311.323 -0.086 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC000826126466 600832257 /nfs/dbraw/zinc/83/22/57/600832257.db2.gz CLZKKGNAEBMKLI-UHFFFAOYSA-N -1 0 320.349 -0.199 20 0 DBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000819117083 600855615 /nfs/dbraw/zinc/85/56/15/600855615.db2.gz WKAZKPPAZFCZAH-UHFFFAOYSA-N -1 0 314.319 -0.850 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000833206447 600859942 /nfs/dbraw/zinc/85/99/42/600859942.db2.gz TYBKGIRTDHSZEY-LDYMZIIASA-N -1 0 306.322 -0.684 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000833206443 600860027 /nfs/dbraw/zinc/86/00/27/600860027.db2.gz TYBKGIRTDHSZEY-KCJUWKMLSA-N -1 0 306.322 -0.684 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)CCNC(=O)[O-])cn1 ZINC000737815752 600873001 /nfs/dbraw/zinc/87/30/01/600873001.db2.gz VYIHVWNXZUWOTP-UHFFFAOYSA-N -1 0 313.314 -0.758 20 0 DBADRM NC(=O)Cn1cc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)nn1 ZINC000833083416 600880191 /nfs/dbraw/zinc/88/01/91/600880191.db2.gz XYHVVGZPGISRIW-UHFFFAOYSA-N -1 0 315.289 -0.382 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000231024222 600882621 /nfs/dbraw/zinc/88/26/21/600882621.db2.gz MBOKFAKJEJBOPR-ZJUUUORDSA-N -1 0 306.384 -0.067 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000390228138 600887937 /nfs/dbraw/zinc/88/79/37/600887937.db2.gz GGZQJLUBMRYIOH-VHSXEESVSA-N -1 0 306.384 -0.067 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])C1 ZINC000833081687 600889065 /nfs/dbraw/zinc/88/90/65/600889065.db2.gz WGBSZCVHPGKARL-LURJTMIESA-N -1 0 311.319 -0.281 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCSC[C@H]2CC(=O)[O-])S1 ZINC000833089574 600892352 /nfs/dbraw/zinc/89/23/52/600892352.db2.gz RSXXUMXBGAJGEY-RNFRBKRXSA-N -1 0 317.392 -0.038 20 0 DBADRM COC[C@](C)(O)CNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC000831637274 600899392 /nfs/dbraw/zinc/89/93/92/600899392.db2.gz HZHPASJSVBGITR-GFCCVEGCSA-N -1 0 316.335 -0.102 20 0 DBADRM CC(C)C[C@@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000736409242 600918258 /nfs/dbraw/zinc/91/82/58/600918258.db2.gz ALYXZXIKOZINGQ-VIFPVBQESA-N -1 0 311.338 -0.439 20 0 DBADRM CC(C)C[C@@H](CNC(=O)CN1CCCS1(=O)=O)C(=O)[O-] ZINC000262149457 600927016 /nfs/dbraw/zinc/92/70/16/600927016.db2.gz LRSKQYCOOYNKHU-JTQLQIEISA-N -1 0 306.384 -0.115 20 0 DBADRM NC(=O)Cn1cc(C(=O)Oc2cccc(CC(=O)[O-])c2)nn1 ZINC000833083787 600947114 /nfs/dbraw/zinc/94/71/14/600947114.db2.gz LYQIAHIVSIXFQO-UHFFFAOYSA-N -1 0 304.262 -0.390 20 0 DBADRM CN1CCN(CC(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)CC1 ZINC000830951368 600954897 /nfs/dbraw/zinc/95/48/97/600954897.db2.gz YXTHYXSAYLUFLV-CYBMUJFWSA-N -1 0 313.398 -0.284 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000827768178 600965888 /nfs/dbraw/zinc/96/58/88/600965888.db2.gz NXHIEMPVANRYRA-JGVFFNPUSA-N -1 0 310.397 -0.657 20 0 DBADRM CCS(=O)(=O)CC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000830126387 600967524 /nfs/dbraw/zinc/96/75/24/600967524.db2.gz ODMHJIRYPSHEJU-UHFFFAOYSA-N -1 0 307.368 -0.097 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCO[C@H](COC)C1)C(=O)[O-] ZINC000736887957 600969314 /nfs/dbraw/zinc/96/93/14/600969314.db2.gz SYAYVJPTDTVBDX-GVXVVHGQSA-N -1 0 302.371 -0.051 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C(=O)[O-])c1ccccn1 ZINC000827767766 600974510 /nfs/dbraw/zinc/97/45/10/600974510.db2.gz KLHRZZMXTRDADQ-APPZFPTMSA-N -1 0 301.324 -0.739 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)Cn1cc[nH]c1=S ZINC000833248733 600985740 /nfs/dbraw/zinc/98/57/40/600985740.db2.gz ZWJPAGGVVSCVHC-UHFFFAOYSA-N -1 0 300.384 -0.152 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000829847160 600989353 /nfs/dbraw/zinc/98/93/53/600989353.db2.gz ASUFKUUSGOARIV-UHFFFAOYSA-N -1 0 323.367 -0.165 20 0 DBADRM CCN(Cc1cnn(C)c1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000829734449 600994168 /nfs/dbraw/zinc/99/41/68/600994168.db2.gz AQDMDFGJPMNPSV-UHFFFAOYSA-N -1 0 304.372 -0.107 20 0 DBADRM C[C@@H](C(=O)NC1CC1)N1CCN(c2cncc(C(=O)[O-])n2)CC1 ZINC000825999529 600999502 /nfs/dbraw/zinc/99/95/02/600999502.db2.gz CZKHKCCIAGIIKS-JTQLQIEISA-N -1 0 319.365 -0.036 20 0 DBADRM CCc1c(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cnn1C ZINC000737247649 601018673 /nfs/dbraw/zinc/01/86/73/601018673.db2.gz MQXBONYXAQGGNL-UHFFFAOYSA-N -1 0 324.381 -0.159 20 0 DBADRM Cn1cc(C(=O)Oc2ccccc2CC(=O)[O-])c(=O)n(C)c1=O ZINC000739028489 601022500 /nfs/dbraw/zinc/02/25/00/601022500.db2.gz XCVBSMDITPXXFO-UHFFFAOYSA-N -1 0 318.285 -0.070 20 0 DBADRM Cn1ccc(N2CCC[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2=O)n1 ZINC000739037547 601044611 /nfs/dbraw/zinc/04/46/11/601044611.db2.gz AZWIPPKYJDKSQQ-UTLUCORTSA-N -1 0 306.322 -0.248 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N[C@@H]2CCCS(=O)(=O)C2)n1 ZINC000833275255 601057458 /nfs/dbraw/zinc/05/74/58/601057458.db2.gz CCBYPJLCEMOZAG-MRVPVSSYSA-N -1 0 316.339 -0.334 20 0 DBADRM COC(=O)N1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000831204204 601057560 /nfs/dbraw/zinc/05/75/60/601057560.db2.gz PKFSYRYSIXPDHT-UHFFFAOYSA-N -1 0 311.298 -0.116 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000827575912 601059922 /nfs/dbraw/zinc/05/99/22/601059922.db2.gz SHCGXAFSWLHWAZ-SSDOTTSWSA-N -1 0 304.328 -0.478 20 0 DBADRM C[C@H]1CN(C(=O)Nc2ccn(CC(=O)[O-])n2)CCS1(=O)=O ZINC000828386139 601061024 /nfs/dbraw/zinc/06/10/24/601061024.db2.gz LVORDSJWXSFANR-QMMMGPOBSA-N -1 0 316.339 -0.382 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CN1CCC(=O)NC1=O)c1ccccc1 ZINC000738458822 601079429 /nfs/dbraw/zinc/07/94/29/601079429.db2.gz CINVJQYCGJQRPE-NSHDSACASA-N -1 0 319.317 -0.087 20 0 DBADRM CC(C)c1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])nn1C ZINC000827102152 601081665 /nfs/dbraw/zinc/08/16/65/601081665.db2.gz RSUPCAPZXIQMCI-LLVKDONJSA-N -1 0 308.338 -0.041 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000827355091 601085933 /nfs/dbraw/zinc/08/59/33/601085933.db2.gz IJZVCLPQTGCYTJ-WDEREUQCSA-N -1 0 318.395 -0.572 20 0 DBADRM Cn1ccnc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)c1=O ZINC000833058866 601099182 /nfs/dbraw/zinc/09/91/82/601099182.db2.gz IRBRLLLRCRTFHI-VHSXEESVSA-N -1 0 306.322 -0.850 20 0 DBADRM Cc1nc([C@H]2CN(S(=O)(=O)CCCC(=O)[O-])CCO2)n[nH]1 ZINC000738336893 601107974 /nfs/dbraw/zinc/10/79/74/601107974.db2.gz AQGQESOCVHQJPT-SECBINFHSA-N -1 0 318.355 -0.319 20 0 DBADRM CCC(=O)N1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000828563398 601113337 /nfs/dbraw/zinc/11/33/37/601113337.db2.gz YZQBNNCQJWWGPY-UWVGGRQHSA-N -1 0 314.338 -0.090 20 0 DBADRM CCC(=O)N1CCCC[C@H]1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000828563400 601113375 /nfs/dbraw/zinc/11/33/75/601113375.db2.gz YZQBNNCQJWWGPY-ZJUUUORDSA-N -1 0 314.338 -0.090 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cn(CC(N)=O)nn1 ZINC000737471304 601115519 /nfs/dbraw/zinc/11/55/19/601115519.db2.gz SQRHWGWCOYHWOC-UHFFFAOYSA-N -1 0 317.305 -0.266 20 0 DBADRM CC(C)OCCN1CCN([C@@H](C)C(=O)NCC(=O)[O-])CC1 ZINC000827030794 601115812 /nfs/dbraw/zinc/11/58/12/601115812.db2.gz MPUGMZASWNNBPW-LBPRGKRZSA-N -1 0 301.387 -0.382 20 0 DBADRM C[C@@H](CNS(=O)(=O)CC1(CC(=O)[O-])CC1)N1CCOCC1 ZINC000827501985 601130858 /nfs/dbraw/zinc/13/08/58/601130858.db2.gz GHJUSTDNRIBDGY-NSHDSACASA-N -1 0 320.411 -0.119 20 0 DBADRM CC1(C)C(=O)NCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000828042188 601131490 /nfs/dbraw/zinc/13/14/90/601131490.db2.gz SAVPBCBYMPPTRV-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM CCN(C/C=C(/C)C(=O)[O-])CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000829692903 601154062 /nfs/dbraw/zinc/15/40/62/601154062.db2.gz QPIZRSRUTJGBKI-FGUAACIASA-N -1 0 318.395 -0.358 20 0 DBADRM Cn1cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000833046546 601159214 /nfs/dbraw/zinc/15/92/14/601159214.db2.gz YGQHEIKIVWAKIC-BDAKNGLRSA-N -1 0 309.322 -0.087 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000830987728 601159872 /nfs/dbraw/zinc/15/98/72/601159872.db2.gz ONQXJMHMWHECAH-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM Cc1nsc(N2CCN([C@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC000833024329 601179958 /nfs/dbraw/zinc/17/99/58/601179958.db2.gz ZNQNWQKBUWIKOL-MRVPVSSYSA-N -1 0 313.383 -0.442 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCN(C2CC2)C(=O)C1)C(=O)[O-] ZINC000826786465 601181066 /nfs/dbraw/zinc/18/10/66/601181066.db2.gz NPYQZEPZWDTFGH-LBPRGKRZSA-N -1 0 311.382 -0.092 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000827571916 601183020 /nfs/dbraw/zinc/18/30/20/601183020.db2.gz VZJWBEAAQBTYMF-SECBINFHSA-N -1 0 307.368 -0.241 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCO1 ZINC000769521439 601185304 /nfs/dbraw/zinc/18/53/04/601185304.db2.gz CMFMBOQHTMYJQL-SCZZXKLOSA-N -1 0 308.294 -0.925 20 0 DBADRM CNC(=O)NC(=O)CNc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000831000389 601187795 /nfs/dbraw/zinc/18/77/95/601187795.db2.gz FJBIPKDZYVHPFZ-UHFFFAOYSA-N -1 0 308.294 -0.632 20 0 DBADRM C[C@H](OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000820194397 601188420 /nfs/dbraw/zinc/18/84/20/601188420.db2.gz LFWBYWIBNJROSB-LURJTMIESA-N -1 0 307.262 -0.738 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000831180471 601191258 /nfs/dbraw/zinc/19/12/58/601191258.db2.gz UKYOKHRZKQQOTP-IUCAKERBSA-N -1 0 301.295 -0.290 20 0 DBADRM NC(=O)[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccccc1 ZINC000833077756 601195615 /nfs/dbraw/zinc/19/56/15/601195615.db2.gz ADVSGXYDBZWOOP-NSHDSACASA-N -1 0 303.278 -0.681 20 0 DBADRM NC(=O)[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccccc1 ZINC000833077755 601195736 /nfs/dbraw/zinc/19/57/36/601195736.db2.gz ADVSGXYDBZWOOP-LLVKDONJSA-N -1 0 303.278 -0.681 20 0 DBADRM CCN(C(=O)Cn1cc(C(=O)[O-])nn1)[C@@H]1CCS(=O)(=O)C1 ZINC000050213280 601195835 /nfs/dbraw/zinc/19/58/35/601195835.db2.gz HQVDLABNMMHYIY-MRVPVSSYSA-N -1 0 316.339 -0.988 20 0 DBADRM Cc1nc(C(=O)NCC(=O)[O-])nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000262623118 601196154 /nfs/dbraw/zinc/19/61/54/601196154.db2.gz NCNBERWQKUSQNA-UHFFFAOYSA-N -1 0 319.203 -0.473 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCC2N=NC(=S)N2C2CC2)nn1 ZINC000833120963 601200006 /nfs/dbraw/zinc/20/00/06/601200006.db2.gz KPAFDCWJUYPCFY-UHFFFAOYSA-N -1 0 323.338 -0.492 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCOc3ncccc32)cn1 ZINC000833274645 601202271 /nfs/dbraw/zinc/20/22/71/601202271.db2.gz JWFAAELFZXDUAE-UHFFFAOYSA-N -1 0 324.318 -0.050 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000013077213 601207440 /nfs/dbraw/zinc/20/74/40/601207440.db2.gz KXSMFCIVHWHCSC-UHFFFAOYSA-N -1 0 304.299 -0.110 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(N)=O ZINC000035149053 601210122 /nfs/dbraw/zinc/21/01/22/601210122.db2.gz CQVOHFMKGQAAMP-LURJTMIESA-N -1 0 302.308 -0.455 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000830987713 601211201 /nfs/dbraw/zinc/21/12/01/601211201.db2.gz OKUMQWDOPJPDDO-UHFFFAOYSA-N -1 0 322.364 -0.179 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)Cc1cc(C)no1)C(=O)[O-] ZINC000831134910 601230687 /nfs/dbraw/zinc/23/06/87/601230687.db2.gz VRCOEUHIXNRDFI-MRVPVSSYSA-N -1 0 306.296 -0.581 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000831175126 601235009 /nfs/dbraw/zinc/23/50/09/601235009.db2.gz HSSADXRGFXKJEF-UHFFFAOYSA-N -1 0 319.339 -0.219 20 0 DBADRM COCC(=O)N1CCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000262643458 601243825 /nfs/dbraw/zinc/24/38/25/601243825.db2.gz QJNMBUHHGVZZGD-UHFFFAOYSA-N -1 0 307.306 -0.289 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000826793161 601244550 /nfs/dbraw/zinc/24/45/50/601244550.db2.gz LICCTRWTGDJACV-BDAKNGLRSA-N -1 0 312.326 -0.569 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CC(N)=O ZINC000136091784 601251103 /nfs/dbraw/zinc/25/11/03/601251103.db2.gz WMWKMYPRLUOMJO-ZETCQYMHSA-N -1 0 316.335 -0.064 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)CC(=O)N1CCCC1 ZINC000088769669 601253694 /nfs/dbraw/zinc/25/36/94/601253694.db2.gz WQJQABGLQVNAGZ-UHFFFAOYSA-N -1 0 307.372 -0.808 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC(=O)NCc1ccco1 ZINC000830742622 601254049 /nfs/dbraw/zinc/25/40/49/601254049.db2.gz JIQOUYJZEKRQPB-UHFFFAOYSA-N -1 0 319.339 -0.863 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000250008831 601254576 /nfs/dbraw/zinc/25/45/76/601254576.db2.gz UMPMIHRHIGRLSF-JTQLQIEISA-N -1 0 319.383 -0.619 20 0 DBADRM CCOC(=O)CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000045702027 601257468 /nfs/dbraw/zinc/25/74/68/601257468.db2.gz QTMNJTLMQUUFQT-UHFFFAOYSA-N -1 0 305.312 -0.801 20 0 DBADRM CC(C)N1C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])CC1=O ZINC000826961591 601258366 /nfs/dbraw/zinc/25/83/66/601258366.db2.gz ULGCRDWBKFWFCW-VIFPVBQESA-N -1 0 307.372 -0.763 20 0 DBADRM Cc1nc2n(n1)C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])CC2 ZINC000833006602 601259466 /nfs/dbraw/zinc/25/94/66/601259466.db2.gz GKBBJHQSNJGVIA-SECBINFHSA-N -1 0 317.371 -0.858 20 0 DBADRM COC(=O)c1ccc(CNS(=O)(=O)N(C)CCC(=O)[O-])o1 ZINC000831385558 601262420 /nfs/dbraw/zinc/26/24/20/601262420.db2.gz YARXUDQBDMSLLN-UHFFFAOYSA-N -1 0 320.323 -0.193 20 0 DBADRM C[C@H](CNS(=O)(=O)N(C)CCC(=O)[O-])CN1CCOCC1 ZINC000827502064 601262686 /nfs/dbraw/zinc/26/26/86/601262686.db2.gz IIAKLCQDBAHWCO-LLVKDONJSA-N -1 0 323.415 -0.804 20 0 DBADRM Cc1nn(C)c(C)c1CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000092325901 601263586 /nfs/dbraw/zinc/26/35/86/601263586.db2.gz NFKRLDJRDRUHOM-UHFFFAOYSA-N -1 0 304.372 -0.222 20 0 DBADRM O=C([O-])CC1(NS(=O)(=O)C[C@H]2CCOC2)CCOCC1 ZINC000833205625 601270102 /nfs/dbraw/zinc/27/01/02/601270102.db2.gz JGFOTVFQNLOLNH-JTQLQIEISA-N -1 0 307.368 -0.034 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)C(=O)OC ZINC000831133181 601272161 /nfs/dbraw/zinc/27/21/61/601272161.db2.gz CNBVYQNKQDBIDA-VIFPVBQESA-N -1 0 310.262 -0.386 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000827547173 601272484 /nfs/dbraw/zinc/27/24/84/601272484.db2.gz SFASUWJSSIAJDP-JTQLQIEISA-N -1 0 314.367 -0.351 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)c1ccnc(C(=O)[O-])c1 ZINC000231024196 601273129 /nfs/dbraw/zinc/27/31/29/601273129.db2.gz MCFGVRZCCDFKLM-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM NC(=O)c1ccc(F)c(NC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000833085339 601277043 /nfs/dbraw/zinc/27/70/43/601277043.db2.gz LJDQNXQWGKNXNP-UHFFFAOYSA-N -1 0 307.241 -0.147 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCNC(=O)c2cccs2)nn1 ZINC000833120977 601277046 /nfs/dbraw/zinc/27/70/46/601277046.db2.gz WEEPFTRVLAYPHY-UHFFFAOYSA-N -1 0 323.334 -0.416 20 0 DBADRM O=C([O-])c1cn(CC(=O)Nc2ccc3c(c2)OCC(=O)N3)nn1 ZINC000833121376 601277778 /nfs/dbraw/zinc/27/77/78/601277778.db2.gz GLGDNMZPQCJKEJ-UHFFFAOYSA-N -1 0 317.261 -0.054 20 0 DBADRM C[C@](NC(=O)Cn1cc(C(=O)[O-])nn1)(C(N)=O)c1ccccc1 ZINC000827637319 601280093 /nfs/dbraw/zinc/28/00/93/601280093.db2.gz RUYUSAWFGSQBGJ-CQSZACIVSA-N -1 0 317.305 -0.507 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCC(=O)Nc2ccccn2)nn1 ZINC000833120666 601280689 /nfs/dbraw/zinc/28/06/89/601280689.db2.gz LGZQBALLEKYIPB-UHFFFAOYSA-N -1 0 318.293 -0.484 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCCN2c2ncccn2)CCO1 ZINC000387019984 601281606 /nfs/dbraw/zinc/28/16/06/601281606.db2.gz KOIDPJIZRIHNNI-WDEREUQCSA-N -1 0 306.322 -0.243 20 0 DBADRM C[C@H]([C@H](C)NC(=O)Cn1cc(C(=O)[O-])nn1)N1CCOCC1 ZINC000827637965 601282975 /nfs/dbraw/zinc/28/29/75/601282975.db2.gz YZPLSGUHKFXTMN-VHSXEESVSA-N -1 0 311.342 -0.798 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H](N3CCCC3=O)C2)nn1 ZINC000833340364 601285346 /nfs/dbraw/zinc/28/53/46/601285346.db2.gz SAZZJXLPOHVSMY-JTQLQIEISA-N -1 0 321.337 -0.410 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000826071959 601285907 /nfs/dbraw/zinc/28/59/07/601285907.db2.gz QDNJRZKPDIVGOG-SFYZADRCSA-N -1 0 318.355 -0.744 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCCN2C(=O)CNC2=O)ccn1 ZINC000833138578 601286133 /nfs/dbraw/zinc/28/61/33/601286133.db2.gz XKSCPQIJJNUWPB-UHFFFAOYSA-N -1 0 306.278 -0.549 20 0 DBADRM COC(=O)[C@@H]1CC12CCN(C(=O)Cn1cc(C(=O)[O-])nn1)CC2 ZINC000831099008 601286374 /nfs/dbraw/zinc/28/63/74/601286374.db2.gz CAGUNATUCNIUTE-VIFPVBQESA-N -1 0 322.321 -0.222 20 0 DBADRM CCc1nc2n(n1)C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)CC2 ZINC000830322705 601286533 /nfs/dbraw/zinc/28/65/33/601286533.db2.gz LIXFOWLZVFPMCV-MRVPVSSYSA-N -1 0 319.325 -0.739 20 0 DBADRM COCCCn1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)n1 ZINC000831709785 601286728 /nfs/dbraw/zinc/28/67/28/601286728.db2.gz HYNZJOSUVONJBI-UHFFFAOYSA-N -1 0 308.298 -0.152 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H](Cn3cncn3)C2)nn1 ZINC000833340314 601288530 /nfs/dbraw/zinc/28/85/30/601288530.db2.gz RBHVGYMAKITNFX-JTQLQIEISA-N -1 0 319.325 -0.493 20 0 DBADRM C[C@@H](CNC(=O)Cn1cc(C(=O)[O-])nn1)CN1CCOCC1 ZINC000827470621 601288936 /nfs/dbraw/zinc/28/89/36/601288936.db2.gz YKVTVLWOOORVLM-JTQLQIEISA-N -1 0 311.342 -0.939 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CCC(=O)N1CCOCC1 ZINC000831548962 601292518 /nfs/dbraw/zinc/29/25/18/601292518.db2.gz BNZXACGDUDVKEN-CQSZACIVSA-N -1 0 316.354 -0.379 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000831544877 601296861 /nfs/dbraw/zinc/29/68/61/601296861.db2.gz JZRPDLMYTXCZDL-XPTSAGLGSA-N -1 0 324.337 -0.241 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000831545585 601299280 /nfs/dbraw/zinc/29/92/80/601299280.db2.gz ZUZSCENKUNQACS-NOZJJQNGSA-N -1 0 301.343 -0.227 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000831549279 601302508 /nfs/dbraw/zinc/30/25/08/601302508.db2.gz RURWJNMUMOIGGY-CYBMUJFWSA-N -1 0 315.326 -0.687 20 0 DBADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000828794071 601305148 /nfs/dbraw/zinc/30/51/48/601305148.db2.gz QPRVVBUWZZMUKZ-UHFFFAOYSA-N -1 0 311.338 -0.153 20 0 DBADRM CC(C)OCCS(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC000093297640 601306704 /nfs/dbraw/zinc/30/67/04/601306704.db2.gz WVOGVESPFRBOLD-UHFFFAOYSA-N -1 0 308.400 -0.167 20 0 DBADRM Cn1cc(NC(=O)c2cn(C)c(=O)n(C)c2=O)cc1C(=O)[O-] ZINC000833050604 601311763 /nfs/dbraw/zinc/31/17/63/601311763.db2.gz ISBPEOGMUYNOCA-UHFFFAOYSA-N -1 0 306.278 -0.627 20 0 DBADRM Cn1cc(NC(=O)CCn2cc[nH]c(=O)c2=O)cc1C(=O)[O-] ZINC000833045040 601320348 /nfs/dbraw/zinc/32/03/48/601320348.db2.gz IFDJYHCEFJRWOD-UHFFFAOYSA-N -1 0 306.278 -0.398 20 0 DBADRM CN1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)c2cccnc21 ZINC000830946065 601323995 /nfs/dbraw/zinc/32/39/95/601323995.db2.gz HBQZOOSOMIZGHD-UHFFFAOYSA-N -1 0 302.294 -0.146 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCO[C@H](c2cnn(C)c2)C1 ZINC000830692594 601326096 /nfs/dbraw/zinc/32/60/96/601326096.db2.gz NHAKRBHKLSJNLJ-LBPRGKRZSA-N -1 0 310.354 -0.274 20 0 DBADRM N=C1NC(=O)C(CC(=O)NC2(CC(=O)[O-])CCOCC2)S1 ZINC000833089357 601326656 /nfs/dbraw/zinc/32/66/56/601326656.db2.gz OAOWMVYXZMSVBP-ZETCQYMHSA-N -1 0 315.351 -0.317 20 0 DBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCCCC(=O)[O-] ZINC000818113521 601332372 /nfs/dbraw/zinc/33/23/72/601332372.db2.gz PWXDQNSHBCJXLO-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM NC(=O)CCOc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000833082212 601339263 /nfs/dbraw/zinc/33/92/63/601339263.db2.gz NWSNFJZMTGFJPM-UHFFFAOYSA-N -1 0 323.305 -0.530 20 0 DBADRM CNS(=O)(=O)CC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000831024321 601340856 /nfs/dbraw/zinc/34/08/56/601340856.db2.gz FNPYNRAXFFVXGA-UHFFFAOYSA-N -1 0 302.308 -0.362 20 0 DBADRM O=C([O-])Nc1cc(NC(=O)C(=O)NC(CO)CO)ccc1F ZINC000833283462 601347121 /nfs/dbraw/zinc/34/71/21/601347121.db2.gz KDFQVSRDIXEEBB-UHFFFAOYSA-N -1 0 315.257 -0.677 20 0 DBADRM Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000819008736 601361065 /nfs/dbraw/zinc/36/10/65/601361065.db2.gz AETBNWLQWXGMNT-UWVGGRQHSA-N -1 0 309.326 -0.084 20 0 DBADRM CN(C)c1ncc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)n1C ZINC000818390945 601361162 /nfs/dbraw/zinc/36/11/62/601361162.db2.gz QTSMBMHLHLILSK-JTQLQIEISA-N -1 0 311.342 -0.519 20 0 DBADRM C[C@H](CCO)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000827417695 601364599 /nfs/dbraw/zinc/36/45/99/601364599.db2.gz NTRUPEYKFIFLNF-SECBINFHSA-N -1 0 310.306 -0.024 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000827398198 601366152 /nfs/dbraw/zinc/36/61/52/601366152.db2.gz TVZDJRXFOAQFNA-MRVPVSSYSA-N -1 0 323.305 -0.531 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000091295427 601366126 /nfs/dbraw/zinc/36/61/26/601366126.db2.gz AIBAUEDDTCHWJL-BDAKNGLRSA-N -1 0 306.340 -0.941 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000827398338 601366147 /nfs/dbraw/zinc/36/61/47/601366147.db2.gz WUZPAIORUWPFDA-MRVPVSSYSA-N -1 0 323.305 -0.531 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=S)NCCCC(=O)[O-])CCO1 ZINC000831147758 601368071 /nfs/dbraw/zinc/36/80/71/601368071.db2.gz JDPRRIHDRFQZOP-SECBINFHSA-N -1 0 304.368 -0.010 20 0 DBADRM O=C([O-])[C@]1(F)CCN(Cn2nnn(-c3ccccc3)c2=O)C1 ZINC000833175893 601371127 /nfs/dbraw/zinc/37/11/27/601371127.db2.gz MCBKXURTHBPPLP-ZDUSSCGKSA-N -1 0 307.285 -0.115 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(Cn2nnn(-c3ccccc3)c2=O)C1 ZINC000833175892 601371151 /nfs/dbraw/zinc/37/11/51/601371151.db2.gz MCBKXURTHBPPLP-CYBMUJFWSA-N -1 0 307.285 -0.115 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CN2CCO[C@H](CC(=O)[O-])C2)C1=O ZINC000828089368 601373988 /nfs/dbraw/zinc/37/39/88/601373988.db2.gz VVUGPEQEKRUHLM-QMTHXVAHSA-N -1 0 311.338 -0.160 20 0 DBADRM CO[C@@H](C)c1noc(CN(C)CCC(=O)NCC(=O)[O-])n1 ZINC000831505503 601380527 /nfs/dbraw/zinc/38/05/27/601380527.db2.gz QLVPQVJPXDZDKQ-QMMMGPOBSA-N -1 0 300.315 -0.200 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000320631886 601386528 /nfs/dbraw/zinc/38/65/28/601386528.db2.gz BVHSZBAYLJDBCY-VXGBXAGGSA-N -1 0 311.382 -0.232 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000829905221 601389865 /nfs/dbraw/zinc/38/98/65/601389865.db2.gz RCVZBMNFUWEORU-VIFPVBQESA-N -1 0 317.360 -0.751 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)CC1CCOCC1 ZINC000833207823 601389918 /nfs/dbraw/zinc/38/99/18/601389918.db2.gz RCPGSUWSLDZMTE-JTQLQIEISA-N -1 0 320.367 -0.982 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000829905220 601390009 /nfs/dbraw/zinc/39/00/09/601390009.db2.gz RCVZBMNFUWEORU-SECBINFHSA-N -1 0 317.360 -0.751 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000830742542 601392472 /nfs/dbraw/zinc/39/24/72/601392472.db2.gz FIZAJAMRGWJXPK-SECBINFHSA-N -1 0 321.399 -0.373 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000829624043 601401073 /nfs/dbraw/zinc/40/10/73/601401073.db2.gz LMWNQDDYLOWEPQ-NSHDSACASA-N -1 0 313.335 -0.350 20 0 DBADRM CCc1oc(C(=O)[O-])cc1CN1CCN(S(N)(=O)=O)CC1 ZINC000830374346 601412231 /nfs/dbraw/zinc/41/22/31/601412231.db2.gz CUCCUTLYFTXRJN-UHFFFAOYSA-N -1 0 317.367 -0.139 20 0 DBADRM C/C(=C/COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000825758846 601413056 /nfs/dbraw/zinc/41/30/56/601413056.db2.gz RDLSDVCDFOPGJI-WEHQGULRSA-N -1 0 308.290 -0.329 20 0 DBADRM C/C(=C\COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000825758844 601413219 /nfs/dbraw/zinc/41/32/19/601413219.db2.gz RDLSDVCDFOPGJI-HSKKLARCSA-N -1 0 308.290 -0.329 20 0 DBADRM C/C(=C\COC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000825759398 601414085 /nfs/dbraw/zinc/41/40/85/601414085.db2.gz ZYECRDJOCXPAAE-XBXARRHUSA-N -1 0 306.340 -0.524 20 0 DBADRM C/C(=C\COC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000825765563 601416102 /nfs/dbraw/zinc/41/61/02/601416102.db2.gz SRMHSHDAKGXDMZ-FPYGCLRLSA-N -1 0 317.323 -0.728 20 0 DBADRM O=C([O-])/C=C1\SCC(=O)N1CCCN1CCO[C@H](CO)C1 ZINC000833196450 601426423 /nfs/dbraw/zinc/42/64/23/601426423.db2.gz ULJCUZZTQMEKKI-OGGBREFQSA-N -1 0 316.379 -0.429 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)NC1(CC(=O)[O-])CCC1 ZINC000262516366 601436445 /nfs/dbraw/zinc/43/64/45/601436445.db2.gz LJTYFHWJOODDHP-UHFFFAOYSA-N -1 0 313.354 -0.468 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000826001781 601443391 /nfs/dbraw/zinc/44/33/91/601443391.db2.gz ZMIKBOMDJGGZLQ-VDDIYKPWSA-N -1 0 322.358 -0.823 20 0 DBADRM CCOC(=O)CCCNC(=O)CN1CC[C@](F)(C(=O)[O-])C1 ZINC000829843329 601446110 /nfs/dbraw/zinc/44/61/10/601446110.db2.gz SUZOUFFUCROTEG-CYBMUJFWSA-N -1 0 304.318 -0.056 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CCO[C@@H](CC(=O)[O-])C1 ZINC000831643257 601455149 /nfs/dbraw/zinc/45/51/49/601455149.db2.gz DNAWFNXETZSXFF-UWVGGRQHSA-N -1 0 317.342 -0.977 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@@H](CO)C2)ccc1C(=O)[O-] ZINC000820991685 601455649 /nfs/dbraw/zinc/45/56/49/601455649.db2.gz NNIDYCILFLZLHJ-LLVKDONJSA-N -1 0 322.317 -0.149 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCO[C@H](CO)C2)cc1C(=O)[O-] ZINC000832937563 601455990 /nfs/dbraw/zinc/45/59/90/601455990.db2.gz SCKDZGLMFPJZQV-NSHDSACASA-N -1 0 322.317 -0.149 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)N2CCO[C@@H](CO)C2)cc1 ZINC000833285630 601456310 /nfs/dbraw/zinc/45/63/10/601456310.db2.gz JBEXVLDKZSLOSE-LLVKDONJSA-N -1 0 323.305 -0.065 20 0 DBADRM COCCS(=O)(=O)CCCN1CCO[C@@H](CC(=O)[O-])C1 ZINC000831788521 601457293 /nfs/dbraw/zinc/45/72/93/601457293.db2.gz XUWPDUJNSCIGSZ-NSHDSACASA-N -1 0 309.384 -0.387 20 0 DBADRM CCN1CCN(C(=O)[C@H](C)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000829771063 601458911 /nfs/dbraw/zinc/45/89/11/601458911.db2.gz RHNFLASACWFGQZ-STQMWFEESA-N -1 0 313.398 -0.286 20 0 DBADRM CCCCNC(=O)NC(=O)CN1CCO[C@H](CC(=O)[O-])C1 ZINC000091296903 601459521 /nfs/dbraw/zinc/45/95/21/601459521.db2.gz KTEGWIYCKDRZBU-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCO[C@H](CC(=O)[O-])C2)C[C@H](C)O1 ZINC000091296146 601461049 /nfs/dbraw/zinc/46/10/49/601461049.db2.gz DXXLDNFUORHXQF-GRYCIOLGSA-N -1 0 300.355 -0.202 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCN2C(=O)NC[C@@H]2C1)C(=O)[O-] ZINC000826785764 601461809 /nfs/dbraw/zinc/46/18/09/601461809.db2.gz DRFYARBYKXQOKT-GHMZBOCLSA-N -1 0 312.370 -0.689 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000819111310 601470724 /nfs/dbraw/zinc/47/07/24/601470724.db2.gz QUBVZNPUOOOFDL-JTQLQIEISA-N -1 0 319.317 -0.414 20 0 DBADRM CC(C)OCCS(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000093665620 601475406 /nfs/dbraw/zinc/47/54/06/601475406.db2.gz LRMUOEXRZMHNSE-VIFPVBQESA-N -1 0 308.356 -0.984 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CCCN(C)C2=O)cc1C(=O)[O-] ZINC000830935269 601478417 /nfs/dbraw/zinc/47/84/17/601478417.db2.gz UNLJENYAWZVBIM-VIFPVBQESA-N -1 0 315.351 -0.378 20 0 DBADRM COC(=O)N1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000831204281 601508311 /nfs/dbraw/zinc/50/83/11/601508311.db2.gz QQBYOYKONDJQDH-UHFFFAOYSA-N -1 0 320.367 -0.045 20 0 DBADRM CNC(=O)[C@H]1CCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830984200 601508620 /nfs/dbraw/zinc/50/86/20/601508620.db2.gz KEWKWGVZXFPAOR-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])CCN(Cc1ccncc1)C(=O)CN1CC(=O)NC1=O ZINC000833235018 601515496 /nfs/dbraw/zinc/51/54/96/601515496.db2.gz UKFRBCHBIITUFB-UHFFFAOYSA-N -1 0 320.305 -0.563 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCCN2C(=O)CCC2=O)CC1 ZINC000833202585 601515645 /nfs/dbraw/zinc/51/56/45/601515645.db2.gz JPWFSAGYMOMOTO-UHFFFAOYSA-N -1 0 318.351 -0.690 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000826718005 601521059 /nfs/dbraw/zinc/52/10/59/601521059.db2.gz XXSSJRFEDZZAAB-ONGXEEELSA-N -1 0 306.384 -0.070 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000137175202 601526300 /nfs/dbraw/zinc/52/63/00/601526300.db2.gz NPXVHGZYQXDLKR-VHSXEESVSA-N -1 0 304.368 -0.220 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000833091670 601536451 /nfs/dbraw/zinc/53/64/51/601536451.db2.gz YWXDMOFJMXCUKZ-MRVPVSSYSA-N -1 0 304.310 -0.222 20 0 DBADRM Cn1ncc2c1nnn(CN(CC(=O)[O-])CC(F)(F)F)c2=O ZINC000833061883 601559154 /nfs/dbraw/zinc/55/91/54/601559154.db2.gz LCDRQCIEKMKXAS-UHFFFAOYSA-N -1 0 320.231 -0.569 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCOC[C@H]1C(=O)OC)C(=O)[O-] ZINC000828715574 601559331 /nfs/dbraw/zinc/55/93/31/601559331.db2.gz DJFIRTSNYTVNCI-NHCYSSNCSA-N -1 0 316.354 -0.524 20 0 DBADRM Cc1oc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1S(N)(=O)=O ZINC000833024677 601559487 /nfs/dbraw/zinc/55/94/87/601559487.db2.gz OXWGTGUQRMKSDL-LLVKDONJSA-N -1 0 318.307 -0.791 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)C(=O)c2cccc(F)c21 ZINC000831170319 601559708 /nfs/dbraw/zinc/55/97/08/601559708.db2.gz KANVEHNCCSFHAS-UHFFFAOYSA-N -1 0 324.264 -0.128 20 0 DBADRM O=C([O-])CNC(=O)CN1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000821531351 601568707 /nfs/dbraw/zinc/56/87/07/601568707.db2.gz QPRAVFRZKZMJQW-UHFFFAOYSA-N -1 0 318.395 -0.380 20 0 DBADRM NC(=O)CCNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000833081189 601571798 /nfs/dbraw/zinc/57/17/98/601571798.db2.gz DVSMNTUMERUNHT-UHFFFAOYSA-N -1 0 308.262 -0.183 20 0 DBADRM O=C(CN1CCN2C(=O)NC[C@H]2C1)NC1(C(=O)[O-])CCCCC1 ZINC000833107347 601579463 /nfs/dbraw/zinc/57/94/63/601579463.db2.gz CKYUPJHNBGLZEA-NSHDSACASA-N -1 0 324.381 -0.401 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N[C@H](C(=O)[O-])C1CC1)c2=O ZINC000347396377 601591867 /nfs/dbraw/zinc/59/18/67/601591867.db2.gz KKGASCQXIMBWOB-JTQLQIEISA-N -1 0 305.294 -0.891 20 0 DBADRM CN1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C(C)(C)C1=O ZINC000094865712 601593852 /nfs/dbraw/zinc/59/38/52/601593852.db2.gz ZRAJRCRVWMILNG-UHFFFAOYSA-N -1 0 315.351 -0.046 20 0 DBADRM COC(=O)[C@]1(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCOC1 ZINC000831093134 601595554 /nfs/dbraw/zinc/59/55/54/601595554.db2.gz DDKWLOMXCVDYBP-NSHDSACASA-N -1 0 318.307 -0.677 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])C2CC2)CC1 ZINC000054503141 601596499 /nfs/dbraw/zinc/59/64/99/601596499.db2.gz JIFSBUBFUPPJQK-JTQLQIEISA-N -1 0 304.368 -0.363 20 0 DBADRM Cn1nc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c2ccccc2c1=O ZINC000767057770 601606544 /nfs/dbraw/zinc/60/65/44/601606544.db2.gz FIBBKBOYXVFCPF-LLVKDONJSA-N -1 0 317.301 -0.141 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)cc1C(N)=O ZINC000137192704 601613455 /nfs/dbraw/zinc/61/34/55/601613455.db2.gz NZHIHUYFJHIKOC-SECBINFHSA-N -1 0 315.351 -0.344 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1CC1 ZINC000831135114 601613501 /nfs/dbraw/zinc/61/35/01/601613501.db2.gz WNMMSGXWSSYVCG-SECBINFHSA-N -1 0 308.356 -0.431 20 0 DBADRM NS(=O)(=O)N1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000833088311 601617252 /nfs/dbraw/zinc/61/72/52/601617252.db2.gz OLDVPGDMFOVZGC-UHFFFAOYSA-N -1 0 317.342 -0.155 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC000818547339 601628792 /nfs/dbraw/zinc/62/87/92/601628792.db2.gz GTDPWOCPQWUTNS-SECBINFHSA-N -1 0 310.310 -0.599 20 0 DBADRM O=C([O-])CCCS(=O)(=O)CC(=O)NCC(=O)N1CCCC1 ZINC000833227616 601639604 /nfs/dbraw/zinc/63/96/04/601639604.db2.gz OPOLNDFRBDZOQQ-UHFFFAOYSA-N -1 0 320.367 -0.995 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCCC(=O)[O-] ZINC000262769175 601640060 /nfs/dbraw/zinc/64/00/60/601640060.db2.gz TYDYEXIXPYHKCA-QMMMGPOBSA-N -1 0 318.355 -0.932 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000767213197 601660595 /nfs/dbraw/zinc/66/05/95/601660595.db2.gz CXOZLHTUVNQIMT-GZMMTYOYSA-N -1 0 308.331 -0.564 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N2CC[C@](F)(C(=O)[O-])C2)C1=O ZINC000828082343 601660767 /nfs/dbraw/zinc/66/07/67/601660767.db2.gz OFQXWGLGUNUKAK-GFCCVEGCSA-N -1 0 301.274 -0.658 20 0 DBADRM C[C@H]1CN(C(=O)NCC(C)(C)NS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000111774619 601661324 /nfs/dbraw/zinc/66/13/24/601661324.db2.gz BQTBLVMAZIOWIE-IUCAKERBSA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000826970815 601668644 /nfs/dbraw/zinc/66/86/44/601668644.db2.gz DBLYFIACMAWTTO-LLVKDONJSA-N -1 0 315.370 -0.855 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)NCC(C)(C)C(=O)[O-] ZINC000830130486 601671024 /nfs/dbraw/zinc/67/10/24/601671024.db2.gz GHBMAYNWRMTCHC-UHFFFAOYSA-N -1 0 309.388 -0.274 20 0 DBADRM O=C([O-])CN(C(=O)CSCC(=O)N1CCOCC1)C1CC1 ZINC000037588943 601672506 /nfs/dbraw/zinc/67/25/06/601672506.db2.gz JLAYSHWMAOHAFE-UHFFFAOYSA-N -1 0 316.379 -0.346 20 0 DBADRM O=C([O-])CN(C(=O)COCC(=O)NCc1cccnc1)C1CC1 ZINC000833244787 601673188 /nfs/dbraw/zinc/67/31/88/601673188.db2.gz GWHOCNHPSBVHRM-UHFFFAOYSA-N -1 0 321.333 -0.210 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1 ZINC000831025346 601686111 /nfs/dbraw/zinc/68/61/11/601686111.db2.gz QOSUKAOOGIJAHW-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)nn1 ZINC000833340515 601690420 /nfs/dbraw/zinc/69/04/20/601690420.db2.gz VDQHBOBFRJYENZ-MNOVXSKESA-N -1 0 310.310 -0.617 20 0 DBADRM COC[C@@](C)(NC(=O)CS(=O)(=O)C1CCCC1)C(=O)[O-] ZINC000262218230 601691041 /nfs/dbraw/zinc/69/10/41/601691041.db2.gz SVBYWXWHYCVIBI-GFCCVEGCSA-N -1 0 307.368 -0.050 20 0 DBADRM COC[C@](C)(NC(=O)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000262115373 601694896 /nfs/dbraw/zinc/69/48/96/601694896.db2.gz OUEFGMSBENZORO-NSHDSACASA-N -1 0 308.356 -0.982 20 0 DBADRM COC[C@@](C)(NC(=O)CCC(=O)N1CCOCC1)C(=O)[O-] ZINC000831602676 601695150 /nfs/dbraw/zinc/69/51/50/601695150.db2.gz NPURIGUYSXGYBY-CYBMUJFWSA-N -1 0 302.327 -0.769 20 0 DBADRM C[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828341020 601695414 /nfs/dbraw/zinc/69/54/14/601695414.db2.gz MRBVARLMDPDBPS-OWCSCZDJSA-N -1 0 323.349 -0.114 20 0 DBADRM COC[C@](C)(NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-] ZINC000831597751 601698336 /nfs/dbraw/zinc/69/83/36/601698336.db2.gz ZGMYDUBOVCLEOA-OQPBUACISA-N -1 0 310.310 -0.632 20 0 DBADRM COC[C@](C)(NC(=O)CCCN1C(=O)CCC1=O)C(=O)[O-] ZINC000831602669 601698999 /nfs/dbraw/zinc/69/89/99/601698999.db2.gz NAKHIYLQIHUSQC-ZDUSSCGKSA-N -1 0 300.311 -0.479 20 0 DBADRM CC(C)(CNC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000781135341 601707066 /nfs/dbraw/zinc/70/70/66/601707066.db2.gz UHGDNRALAZYBEA-UHFFFAOYSA-N -1 0 307.372 -0.871 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(C)(C)C(=O)[O-] ZINC000825871060 601707386 /nfs/dbraw/zinc/70/73/86/601707386.db2.gz LOAWUNZWNPMQBF-SNVBAGLBSA-N -1 0 313.354 -0.660 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000828042084 601709203 /nfs/dbraw/zinc/70/92/03/601709203.db2.gz NVNDEHCVHGERDK-GFCCVEGCSA-N -1 0 301.274 -0.658 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000833090871 601710091 /nfs/dbraw/zinc/71/00/91/601710091.db2.gz KDGLCXRCRNOOOS-GFCCVEGCSA-N -1 0 308.273 -0.566 20 0 DBADRM Cn1nnnc1SCCC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000833063082 601711999 /nfs/dbraw/zinc/71/19/99/601711999.db2.gz GRRCIMOQCKDBMA-JTQLQIEISA-N -1 0 303.319 -0.283 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000833357177 601713913 /nfs/dbraw/zinc/71/39/13/601713913.db2.gz QKMQJGONWLGMJC-CQSZACIVSA-N -1 0 321.264 -0.145 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCC(C)(C)C(=O)[O-])cnc21 ZINC000833037932 601714499 /nfs/dbraw/zinc/71/44/99/601714499.db2.gz WSYINYRJUOGSHK-UHFFFAOYSA-N -1 0 320.305 -0.125 20 0 DBADRM C[C@@H]1CN(C(=O)CCCN2C(=O)CN(C)C2=O)C[C@@H]1C(=O)[O-] ZINC000315091763 601717682 /nfs/dbraw/zinc/71/76/82/601717682.db2.gz HNLXQPCRLURWJO-ZJUUUORDSA-N -1 0 311.338 -0.160 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000825876184 601717756 /nfs/dbraw/zinc/71/77/56/601717756.db2.gz SGLPNZLLQTYVLG-KOLCDFICSA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@@H]1C(=O)[O-] ZINC000828326288 601720331 /nfs/dbraw/zinc/72/03/31/601720331.db2.gz PPKOPQFOVVCMCW-WPRPVWTQSA-N -1 0 319.383 -0.919 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000261827829 601720877 /nfs/dbraw/zinc/72/08/77/601720877.db2.gz BCDNNKKTCFKRNU-LLVKDONJSA-N -1 0 307.306 -0.220 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000833193272 601721224 /nfs/dbraw/zinc/72/12/24/601721224.db2.gz JPIWGRVTPUEDOA-MRVPVSSYSA-N -1 0 323.334 -0.217 20 0 DBADRM CN(C)C(=O)N1CCC(C(=O)N[C@]2(C(=O)[O-])CCOC2)CC1 ZINC000316453311 601723772 /nfs/dbraw/zinc/72/37/72/601723772.db2.gz GJVXYIFLLVULME-CQSZACIVSA-N -1 0 313.354 -0.260 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000832694433 601724235 /nfs/dbraw/zinc/72/42/35/601724235.db2.gz DFCILTLRIPVOCB-XFWSIPNHSA-N -1 0 304.368 -0.459 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCO1 ZINC000833216084 601737121 /nfs/dbraw/zinc/73/71/21/601737121.db2.gz YZKLXXSZIVZJBQ-ONGXEEELSA-N -1 0 322.321 -0.535 20 0 DBADRM CN(CC(=O)N[C@@]1(C(=O)[O-])CCOC1)c1ncnc2nc[nH]c21 ZINC000830674610 601738066 /nfs/dbraw/zinc/73/80/66/601738066.db2.gz OFPSDZVGYHWFAH-ZDUSSCGKSA-N -1 0 320.309 -0.851 20 0 DBADRM CN(CC(=O)N[C@]1(C(=O)[O-])CCOC1)c1ncnc2nc[nH]c21 ZINC000830674607 601738119 /nfs/dbraw/zinc/73/81/19/601738119.db2.gz OFPSDZVGYHWFAH-CYBMUJFWSA-N -1 0 320.309 -0.851 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)NC3=O)CCO1 ZINC000833219396 601743134 /nfs/dbraw/zinc/74/31/34/601743134.db2.gz IBGRJWGUPFISCF-SECBINFHSA-N -1 0 318.285 -0.114 20 0 DBADRM Cc1oc(C(=O)NCCSCC(=O)[O-])cc1S(N)(=O)=O ZINC000262354210 601755593 /nfs/dbraw/zinc/75/55/93/601755593.db2.gz BXYWOAZBMTZDQO-UHFFFAOYSA-N -1 0 322.364 -0.217 20 0 DBADRM Cc1cc(C(=O)NN2CC(=O)NC2=O)cc(C)c1OCC(=O)[O-] ZINC000832864732 601756131 /nfs/dbraw/zinc/75/61/31/601756131.db2.gz TXOQCZONTVHJLU-UHFFFAOYSA-N -1 0 321.289 -0.037 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C(=O)[O-] ZINC000828400799 601758704 /nfs/dbraw/zinc/75/87/04/601758704.db2.gz CJBVMLJDLGLCNQ-RNFRBKRXSA-N -1 0 302.308 -0.280 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@@H]1C(=O)[O-] ZINC000828325092 601761305 /nfs/dbraw/zinc/76/13/05/601761305.db2.gz ANIROYLBOHVINF-KKZNHRDASA-N -1 0 306.322 -0.058 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cnn1C ZINC000832855200 601762193 /nfs/dbraw/zinc/76/21/93/601762193.db2.gz NEKFCCJEOWVSFU-VIFPVBQESA-N -1 0 310.310 -0.631 20 0 DBADRM CC(C)NC(=O)CCNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000122600572 601764190 /nfs/dbraw/zinc/76/41/90/601764190.db2.gz FJVRCUKQQANMSJ-SNVBAGLBSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@@H]1CN(C(=S)NCCNS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000828411090 601764648 /nfs/dbraw/zinc/76/46/48/601764648.db2.gz DLBSBOAKCNRHDE-SFYZADRCSA-N -1 0 309.413 -0.937 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2ccc(-n3cncn3)nc2)CCOC1 ZINC000315885039 601765701 /nfs/dbraw/zinc/76/57/01/601765701.db2.gz KFGKUSVSTBVGMH-CYBMUJFWSA-N -1 0 303.278 -0.364 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000316735668 601765761 /nfs/dbraw/zinc/76/57/61/601765761.db2.gz OCUZKGQTUNHLDT-RYUDHWBXSA-N -1 0 315.370 -0.408 20 0 DBADRM Cc1nc(SCCC(=O)N[C@]2(C(=O)[O-])CCOC2)n[nH]1 ZINC000833021115 601766589 /nfs/dbraw/zinc/76/65/89/601766589.db2.gz HWEDSWRICMGGRU-LLVKDONJSA-N -1 0 300.340 -0.045 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2ccc(N3CCOCC3)nc2)CCOC1 ZINC000833127621 601767694 /nfs/dbraw/zinc/76/76/94/601767694.db2.gz KFQZYCIKSQOFHZ-HNNXBMFYSA-N -1 0 321.333 -0.108 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cs1 ZINC000833087531 601767895 /nfs/dbraw/zinc/76/78/95/601767895.db2.gz COIBZKDVTRHOHD-SNVBAGLBSA-N -1 0 320.348 -0.631 20 0 DBADRM C[C@H](CS(=O)(=O)N(C)CC(=O)NCc1ccco1)C(=O)[O-] ZINC000827534156 601771261 /nfs/dbraw/zinc/77/12/61/601771261.db2.gz UELMTDYBRDYXOO-SECBINFHSA-N -1 0 318.351 -0.122 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)CC2 ZINC000833006090 601773105 /nfs/dbraw/zinc/77/31/05/601773105.db2.gz BFLWZRNMNIZXOX-GHMZBOCLSA-N -1 0 323.353 -0.214 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1=O ZINC000826966528 601775385 /nfs/dbraw/zinc/77/53/85/601775385.db2.gz RKSJTFYJPWYWRQ-MNOVXSKESA-N -1 0 313.354 -0.119 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)N[C@H]2CCc3ncnn3C2)CCO1 ZINC000833215899 601777425 /nfs/dbraw/zinc/77/74/25/601777425.db2.gz ARMIAIZOFMJNJY-VHSXEESVSA-N -1 0 309.326 -0.522 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC(N2CCNC2=O)CC1)C(=O)[O-] ZINC000827540733 601777894 /nfs/dbraw/zinc/77/78/94/601777894.db2.gz GMJBFUVODNHXBC-SECBINFHSA-N -1 0 319.383 -0.474 20 0 DBADRM COCCOC[C@@H](C)NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000831762224 601778381 /nfs/dbraw/zinc/77/83/81/601778381.db2.gz DXSIGUVWGFQRNL-MNOVXSKESA-N -1 0 304.343 -0.077 20 0 DBADRM COCCOC[C@H](C)NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000831762225 601778433 /nfs/dbraw/zinc/77/84/33/601778433.db2.gz DXSIGUVWGFQRNL-QWRGUYRKSA-N -1 0 304.343 -0.077 20 0 DBADRM NC(=O)C1CCC(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000833083100 601780034 /nfs/dbraw/zinc/78/00/34/601780034.db2.gz XAPLXNKFNYAXLM-ILDUYXDCSA-N -1 0 313.354 -0.084 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CCO1 ZINC000833217482 601781434 /nfs/dbraw/zinc/78/14/34/601781434.db2.gz OLGIDLULJWKJGK-GXSJLCMTSA-N -1 0 311.338 -0.365 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)N[C@H]2CCCn3ncnc32)CCO1 ZINC000833216851 601781930 /nfs/dbraw/zinc/78/19/30/601781930.db2.gz JLPUBCLADUWHHC-ZJUUUORDSA-N -1 0 309.326 -0.002 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC000825870840 601782357 /nfs/dbraw/zinc/78/23/57/601782357.db2.gz GJDREGCWBDVMGE-ONGXEEELSA-N -1 0 306.384 -0.115 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])CC2 ZINC000833007570 601786359 /nfs/dbraw/zinc/78/63/59/601786359.db2.gz PCKSKRPOTPYINX-CBAPKCEASA-N -1 0 302.356 -0.459 20 0 DBADRM C[C@H](CS(=O)(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000827533592 601790497 /nfs/dbraw/zinc/79/04/97/601790497.db2.gz RBBKUBCAWHZOTF-VGMNWLOBSA-N -1 0 315.413 -0.210 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000830125827 601790825 /nfs/dbraw/zinc/79/08/25/601790825.db2.gz IURIJWKDOVXPCU-RKDXNWHRSA-N -1 0 315.413 -0.208 20 0 DBADRM C[C@H](CS(=O)(=O)NCc1cnc(N(C)C)n1C)C(=O)[O-] ZINC000827562766 601791028 /nfs/dbraw/zinc/79/10/28/601791028.db2.gz FHBDPCKZBXBSRP-MRVPVSSYSA-N -1 0 304.372 -0.374 20 0 DBADRM COCCN1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C[C@H]1C ZINC000831745914 601792441 /nfs/dbraw/zinc/79/24/41/601792441.db2.gz SLLMJDNYBGJQCQ-GHMZBOCLSA-N -1 0 308.400 -0.311 20 0 DBADRM Cc1nc([C@@H]2CN(S(=O)(=O)C[C@H](C)C(=O)[O-])CCO2)n[nH]1 ZINC000832990723 601796549 /nfs/dbraw/zinc/79/65/49/601796549.db2.gz GHLXFHDDWONRII-CBAPKCEASA-N -1 0 318.355 -0.463 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN(c2cnn(C)c2)CC1)C(=O)[O-] ZINC000827547106 601797663 /nfs/dbraw/zinc/79/76/63/601797663.db2.gz RMHRSESKXZBCDR-SNVBAGLBSA-N -1 0 316.383 -0.407 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN(C2CCOCC2)CC1)C(=O)[O-] ZINC000827547824 601798413 /nfs/dbraw/zinc/79/84/13/601798413.db2.gz XDGYVGOWSGLQDV-LLVKDONJSA-N -1 0 320.411 -0.167 20 0 DBADRM COC[C@@](C)(CC(=O)OC)NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000831591661 601799301 /nfs/dbraw/zinc/79/93/01/601799301.db2.gz XIIQABSSSMKBKD-LDYMZIIASA-N -1 0 311.356 -0.405 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000831058793 601799334 /nfs/dbraw/zinc/79/93/34/601799334.db2.gz AUWRKBAXAPTHBA-RKDXNWHRSA-N -1 0 309.340 -0.699 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000328507960 601804880 /nfs/dbraw/zinc/80/48/80/601804880.db2.gz ZCHHWCNFNGQBFI-GFCCVEGCSA-N -1 0 316.335 -0.447 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OC ZINC000831632140 601805637 /nfs/dbraw/zinc/80/56/37/601805637.db2.gz SKVGHSJGUWFCIX-LLVKDONJSA-N -1 0 321.307 -0.166 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CCOC1CCOCC1 ZINC000831067401 601810797 /nfs/dbraw/zinc/81/07/97/601810797.db2.gz QRSJMIKARRUITD-JTQLQIEISA-N -1 0 303.311 -0.295 20 0 DBADRM CC[C@H]1CC(=O)N(CN(CCN2CCOCC2)CC(=O)[O-])C1 ZINC000829075900 601811610 /nfs/dbraw/zinc/81/16/10/601811610.db2.gz XODQNFYNMOMUBC-ZDUSSCGKSA-N -1 0 313.398 -0.079 20 0 DBADRM CN(CC(=O)NCC(C)(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000830674828 601820126 /nfs/dbraw/zinc/82/01/26/601820126.db2.gz RXVXZVDDUUZLHG-VIFPVBQESA-N -1 0 306.384 -0.668 20 0 DBADRM CC(C)Cn1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000817906593 601855756 /nfs/dbraw/zinc/85/57/56/601855756.db2.gz REOMACGRLMMULV-LLVKDONJSA-N -1 0 324.337 -0.210 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCOCCO)cc1F ZINC000833142504 601859747 /nfs/dbraw/zinc/85/97/47/601859747.db2.gz LLWCKUPQNAIMMC-UHFFFAOYSA-N -1 0 314.269 -0.413 20 0 DBADRM COCc1nn(CN2CCSC[C@@H]2CC(=O)[O-])c(=O)o1 ZINC000831832107 601880367 /nfs/dbraw/zinc/88/03/67/601880367.db2.gz VFGYTCVPRTVCRC-QMMMGPOBSA-N -1 0 303.340 -0.168 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)Nc1ccn(CC(N)=O)n1 ZINC000740012380 601891354 /nfs/dbraw/zinc/89/13/54/601891354.db2.gz KQYYGVGEXWIMNY-ZETCQYMHSA-N -1 0 315.355 -0.304 20 0 DBADRM COC(=O)C[C@H]1CSCCN1CC(=O)NCCC(=O)[O-] ZINC000831148203 601893019 /nfs/dbraw/zinc/89/30/19/601893019.db2.gz QXVOGDLUPGSCPE-VIFPVBQESA-N -1 0 304.368 -0.442 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000739581222 601898559 /nfs/dbraw/zinc/89/85/59/601898559.db2.gz DBQBUXZIMOFQJC-JTQLQIEISA-N -1 0 324.337 -0.852 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC000739577432 601906542 /nfs/dbraw/zinc/90/65/42/601906542.db2.gz HIQMVWZBDPLAAT-RKDXNWHRSA-N -1 0 312.326 -0.425 20 0 DBADRM O=C([O-])NCCCC(=O)NCCCN1CCCS1(=O)=O ZINC000739960131 601910903 /nfs/dbraw/zinc/91/09/03/601910903.db2.gz SMBGLIBOGYHDLD-UHFFFAOYSA-N -1 0 307.372 -0.424 20 0 DBADRM CC(C)N1C(=O)C(=O)N(CN2CC[C@@H](CNC(=O)[O-])C2)C1=O ZINC000738850582 601914108 /nfs/dbraw/zinc/91/41/08/601914108.db2.gz AUBIWCVOGPULHK-VIFPVBQESA-N -1 0 312.326 -0.267 20 0 DBADRM CCCN1C(=O)C(=O)N(CN2CC[C@@H](CNC(=O)[O-])C2)C1=O ZINC000739364085 601914566 /nfs/dbraw/zinc/91/45/66/601914566.db2.gz PNEVJCPZHIRULH-VIFPVBQESA-N -1 0 312.326 -0.266 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)[O-])CCO1 ZINC000740327217 601939128 /nfs/dbraw/zinc/93/91/28/601939128.db2.gz LAUGJOMBDXHPJO-NWDGAFQWSA-N -1 0 321.333 -0.422 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCSC[C@H]2CC(=O)[O-])nn1 ZINC000827804045 601943327 /nfs/dbraw/zinc/94/33/27/601943327.db2.gz RDNLUFWJOJCQJC-DTWKUNHWSA-N -1 0 314.367 -0.250 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)Cn1cc([C@H](C)O)nn1 ZINC000831554033 601943641 /nfs/dbraw/zinc/94/36/41/601943641.db2.gz QLZXARBWYDWPEJ-QPUJVOFHSA-N -1 0 300.315 -0.673 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000739532388 601946289 /nfs/dbraw/zinc/94/62/89/601946289.db2.gz VSIQHDOMUVDSDV-JTQLQIEISA-N -1 0 321.399 -0.180 20 0 DBADRM Cc1ncc([N+](=O)[O-])n1CCN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000315457971 601948866 /nfs/dbraw/zinc/94/88/66/601948866.db2.gz SOJFHXDYWKJAIA-VIFPVBQESA-N -1 0 311.298 -0.625 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000739317537 601952437 /nfs/dbraw/zinc/95/24/37/601952437.db2.gz YISIDMQBYHVRNK-SDBXPKJASA-N -1 0 312.326 -0.425 20 0 DBADRM CS(=O)(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000832699821 601959815 /nfs/dbraw/zinc/95/98/15/601959815.db2.gz OXVKUCSCTOCGOX-UHFFFAOYSA-N -1 0 321.376 -0.265 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)O1 ZINC000833080997 601961193 /nfs/dbraw/zinc/96/11/93/601961193.db2.gz DSOPVFMDAMZIGB-IMTBSYHQSA-N -1 0 317.323 -0.976 20 0 DBADRM CC(C)NC(=O)CNC(=S)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738858582 601978206 /nfs/dbraw/zinc/97/82/06/601978206.db2.gz YUVLCNURARDHTJ-VIFPVBQESA-N -1 0 302.400 -0.025 20 0 DBADRM CC(C)(C)n1ncc2c1ncn(CC(=O)NCCC(=O)[O-])c2=O ZINC000826529457 601979338 /nfs/dbraw/zinc/97/93/38/601979338.db2.gz ILCAXCIMUNCWMR-UHFFFAOYSA-N -1 0 321.337 -0.061 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000830742640 601990754 /nfs/dbraw/zinc/99/07/54/601990754.db2.gz KFIDALRUBIQIBH-VHSXEESVSA-N -1 0 321.399 -0.339 20 0 DBADRM C[C@@H](NS(=O)(=O)N1CCOCC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739038265 601993188 /nfs/dbraw/zinc/99/31/88/601993188.db2.gz JZDHMZTWUHYWBN-MNOVXSKESA-N -1 0 321.399 -0.069 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)N(C)CCC(=O)[O-])[C@H](C)C1 ZINC000825841418 602000298 /nfs/dbraw/zinc/00/02/98/602000298.db2.gz RSXPFEYJIRCBHF-SECBINFHSA-N -1 0 307.372 -0.810 20 0 DBADRM C[C@H]1CC[C@H](C(=O)N(CCN2CCOCC2)CC(=O)[O-])O1 ZINC000828207540 602006754 /nfs/dbraw/zinc/00/67/54/602006754.db2.gz MLWBETFKBREDLR-NWDGAFQWSA-N -1 0 300.355 -0.201 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCc2ccc(F)cn2)cn1 ZINC000833274560 602009690 /nfs/dbraw/zinc/00/96/90/602009690.db2.gz DEIIZHXTYXJAKK-UHFFFAOYSA-N -1 0 314.298 -0.020 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)CN(C)S(C)(=O)=O ZINC000738998947 602012419 /nfs/dbraw/zinc/01/24/19/602012419.db2.gz FDHUNPVRVAMHQV-NXEZZACHSA-N -1 0 321.399 -0.085 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000833206463 602021390 /nfs/dbraw/zinc/02/13/90/602021390.db2.gz UWQLMGHHQIBCIS-GZMMTYOYSA-N -1 0 306.322 -0.369 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)CCn2cc[nH]c(=O)c2=O)c1 ZINC000776208899 602023680 /nfs/dbraw/zinc/02/36/80/602023680.db2.gz KAPNLARURCIJEB-UHFFFAOYSA-N -1 0 317.301 -0.059 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)c1ncccc1O ZINC000739620403 602025723 /nfs/dbraw/zinc/02/57/23/602025723.db2.gz FKUXYTHIGQSTAG-UHFFFAOYSA-N -1 0 322.321 -0.319 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2ncccc2O)CC1 ZINC000740403846 602026638 /nfs/dbraw/zinc/02/66/38/602026638.db2.gz HRHKCCIXMLIZFE-UHFFFAOYSA-N -1 0 308.294 -0.661 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000738992542 602033869 /nfs/dbraw/zinc/03/38/69/602033869.db2.gz AXIOAYJFCXCMSA-SNVBAGLBSA-N -1 0 308.338 -0.145 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739038377 602036656 /nfs/dbraw/zinc/03/66/56/602036656.db2.gz LBNZINTVROFKCO-BDAKNGLRSA-N -1 0 307.372 -0.475 20 0 DBADRM C[C@@H](OC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1)C(N)=O ZINC000739043407 602040706 /nfs/dbraw/zinc/04/07/06/602040706.db2.gz OGKKGNRROKPGIF-SSDOTTSWSA-N -1 0 311.298 -0.376 20 0 DBADRM CS(=O)(=O)CCCNC(=O)NCCN(C(=O)[O-])C1CC1 ZINC000739983494 602060154 /nfs/dbraw/zinc/06/01/54/602060154.db2.gz MZTKINDFHAIVAS-UHFFFAOYSA-N -1 0 307.372 -0.137 20 0 DBADRM NC(=O)NC(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000833083894 602062862 /nfs/dbraw/zinc/06/28/62/602062862.db2.gz QCWHMWFECNYHRS-UHFFFAOYSA-N -1 0 315.307 -0.752 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)COc1c(C)nn(C)c1C ZINC000831067421 602083266 /nfs/dbraw/zinc/08/32/66/602083266.db2.gz RASVCSYLTZDWBP-SECBINFHSA-N -1 0 313.310 -0.452 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)COc1c(C)nn(C)c1C ZINC000831067422 602083335 /nfs/dbraw/zinc/08/33/35/602083335.db2.gz RASVCSYLTZDWBP-VIFPVBQESA-N -1 0 313.310 -0.452 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NCC(=O)NC2CC2)c1 ZINC000738620451 602117342 /nfs/dbraw/zinc/11/73/42/602117342.db2.gz QOOCTHFPVNPRIL-UHFFFAOYSA-N -1 0 319.317 -0.353 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)NCCCNS(C)(=O)=O ZINC000739289039 602118003 /nfs/dbraw/zinc/11/80/03/602118003.db2.gz UDLVZCKCKTZWPF-NSHDSACASA-N -1 0 309.388 -0.132 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)NCCNS(=O)(=O)CC ZINC000739232961 602122551 /nfs/dbraw/zinc/12/25/51/602122551.db2.gz GCQYVWXCEHAAEU-RKDXNWHRSA-N -1 0 309.388 -0.276 20 0 DBADRM CC(=O)NCC(=O)Nc1ccc(N2CCN(C(=O)[O-])CC2)cn1 ZINC000738549303 602126425 /nfs/dbraw/zinc/12/64/25/602126425.db2.gz FWVBPNUPNPASFZ-UHFFFAOYSA-N -1 0 321.337 -0.044 20 0 DBADRM Cc1c(C(=O)OCC(N)=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740043058 602129350 /nfs/dbraw/zinc/12/93/50/602129350.db2.gz DFMJSBZDNDCKOP-UHFFFAOYSA-N -1 0 311.298 -0.456 20 0 DBADRM CN1CC[C@@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1=O ZINC000738016573 602129563 /nfs/dbraw/zinc/12/95/63/602129563.db2.gz KRQDDYWOKDFTMN-LLVKDONJSA-N -1 0 319.317 -0.401 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 ZINC000827310615 602133421 /nfs/dbraw/zinc/13/34/21/602133421.db2.gz JZHMGXZNJIPALO-MRVPVSSYSA-N -1 0 307.306 -0.049 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000827293377 602134542 /nfs/dbraw/zinc/13/45/42/602134542.db2.gz WQRSJTCBZKPAAX-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)C(=O)[O-] ZINC000827542310 602135016 /nfs/dbraw/zinc/13/50/16/602135016.db2.gz SRHKDUZCNNLGIS-OPRDCNLKSA-N -1 0 304.368 -0.220 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CO)cc1C(=O)[O-] ZINC000831390261 602136355 /nfs/dbraw/zinc/13/63/55/602136355.db2.gz OFOIKYRXIKMGRV-ZETCQYMHSA-N -1 0 324.289 -0.393 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CO)ccc1C(=O)[O-] ZINC000831258505 602136566 /nfs/dbraw/zinc/13/65/66/602136566.db2.gz UIUZQRFYUZNXMQ-ZETCQYMHSA-N -1 0 324.289 -0.393 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000739238801 602143585 /nfs/dbraw/zinc/14/35/85/602143585.db2.gz NHRCVKILRWEMSM-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000827293631 602155967 /nfs/dbraw/zinc/15/59/67/602155967.db2.gz ZZOHCUMXMIFHBL-VIFPVBQESA-N -1 0 306.384 -0.067 20 0 DBADRM CN(CC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1)C(=O)[O-] ZINC000739623237 602162102 /nfs/dbraw/zinc/16/21/02/602162102.db2.gz BAIJJMOMYOSCFL-UHFFFAOYSA-N -1 0 322.321 -0.872 20 0 DBADRM CC(C)(NC(=O)[O-])c1noc(CN2CCS(=O)(=O)CC2)n1 ZINC000738756251 602162776 /nfs/dbraw/zinc/16/27/76/602162776.db2.gz ZQPNADQDSYCMMU-UHFFFAOYSA-N -1 0 318.355 -0.197 20 0 DBADRM CCCS(=O)(=O)N1CCC(NC(=O)CN(C)C(=O)[O-])CC1 ZINC000739375629 602166272 /nfs/dbraw/zinc/16/62/72/602166272.db2.gz VQPZLHYDGKEMJU-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000827317758 602166544 /nfs/dbraw/zinc/16/65/44/602166544.db2.gz OFYCAMWFUCEYBU-SNVBAGLBSA-N -1 0 324.337 -0.209 20 0 DBADRM CN1CCO[C@@H]2CN(S(=O)(=O)CC3(CC(=O)[O-])CC3)C[C@@H]21 ZINC000830964815 602174726 /nfs/dbraw/zinc/17/47/26/602174726.db2.gz LZAMJWLDSXPQSI-WDEREUQCSA-N -1 0 318.395 -0.414 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000827257138 602184659 /nfs/dbraw/zinc/18/46/59/602184659.db2.gz LLCBNRJEFZHDNA-RFXMVYNHSA-N -1 0 311.338 -0.066 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cc1csc2nccn12 ZINC000833206109 602186091 /nfs/dbraw/zinc/18/60/91/602186091.db2.gz OHSJDDHDDXJDON-SECBINFHSA-N -1 0 322.346 -0.260 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000827279517 602187834 /nfs/dbraw/zinc/18/78/34/602187834.db2.gz CYILQQPUHKSYAB-BBBLOLIVSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000740368346 602189372 /nfs/dbraw/zinc/18/93/72/602189372.db2.gz UFTUNQLXLCZLQP-SNVBAGLBSA-N -1 0 324.337 -0.567 20 0 DBADRM CN(CC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000739620460 602192266 /nfs/dbraw/zinc/19/22/66/602192266.db2.gz ULXMWSFMDBTVJX-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)C(=O)[O-] ZINC000739619975 602192401 /nfs/dbraw/zinc/19/24/01/602192401.db2.gz HHCZQULCTFSFRC-VIFPVBQESA-N -1 0 307.372 -0.616 20 0 DBADRM COCCCNC(=O)C1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000739808366 602194106 /nfs/dbraw/zinc/19/41/06/602194106.db2.gz SSEOISWADVKMJP-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM CN1CCO[C@H]2CN(C(=O)NC3CCN(C(=O)[O-])CC3)C[C@H]21 ZINC000830964635 602196238 /nfs/dbraw/zinc/19/62/38/602196238.db2.gz LPCVXLCMDABTRC-NEPJUHHUSA-N -1 0 312.370 -0.147 20 0 DBADRM CN1CCO[C@H]2CN(C(=O)NCCSCC(=O)[O-])C[C@H]21 ZINC000830964388 602196707 /nfs/dbraw/zinc/19/67/07/602196707.db2.gz JVRGNESYVHRRBA-ZJUUUORDSA-N -1 0 303.384 -0.471 20 0 DBADRM C[C@H](OC(=O)CN(C)C(=O)[O-])C(=O)Nc1ncnc2[nH]cnc21 ZINC000739040657 602206313 /nfs/dbraw/zinc/20/63/13/602206313.db2.gz DXAXPIGRGQQVGY-LURJTMIESA-N -1 0 322.281 -0.167 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)OCCNC(=O)[O-])o1 ZINC000737375380 602216200 /nfs/dbraw/zinc/21/62/00/602216200.db2.gz IHAGMMBLTRBXQG-UHFFFAOYSA-N -1 0 306.296 -0.046 20 0 DBADRM O=C([O-])NCCOC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000739971588 602217669 /nfs/dbraw/zinc/21/76/69/602217669.db2.gz HAZBEFJTMUHYMW-UHFFFAOYSA-N -1 0 315.307 -0.705 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)OCCN1C(=O)CNC1=O ZINC000739298845 602218726 /nfs/dbraw/zinc/21/87/26/602218726.db2.gz UMOZSPASLSJHLX-GFCCVEGCSA-N -1 0 301.299 -0.092 20 0 DBADRM O=C([O-])NCCOC(=O)CCNS(=O)(=O)c1cccnc1 ZINC000739971929 602219693 /nfs/dbraw/zinc/21/96/93/602219693.db2.gz BBOKNTLZUKBMRI-UHFFFAOYSA-N -1 0 317.323 -0.439 20 0 DBADRM C[C@H](CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1)[S@@](C)=O ZINC000229786158 602226713 /nfs/dbraw/zinc/22/67/13/602226713.db2.gz UOTFYXBJUSCKIE-LILOVNGRSA-N -1 0 323.396 -0.597 20 0 DBADRM Cn1cc([C@@]2(C)CN(CC(=O)NCCC(=O)[O-])CCO2)cn1 ZINC000833043428 602238177 /nfs/dbraw/zinc/23/81/77/602238177.db2.gz RAVDZQDTYXBEIR-CQSZACIVSA-N -1 0 310.354 -0.442 20 0 DBADRM CCOC(Cn1cc(C(=O)N[C@H](C)C(=O)[O-])nn1)OCC ZINC000829917303 602245351 /nfs/dbraw/zinc/24/53/51/602245351.db2.gz FFODMQIDKGTAGJ-MRVPVSSYSA-N -1 0 300.315 -0.120 20 0 DBADRM C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)[O-] ZINC000033554669 602245779 /nfs/dbraw/zinc/24/57/79/602245779.db2.gz YJACNPYMDJOQSU-SSDOTTSWSA-N -1 0 312.303 -0.580 20 0 DBADRM C[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000738954079 602246650 /nfs/dbraw/zinc/24/66/50/602246650.db2.gz JNIYLKOUNLOHGW-LDYMZIIASA-N -1 0 304.306 -0.304 20 0 DBADRM C[C@@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)C(=O)[O-] ZINC000738954074 602246914 /nfs/dbraw/zinc/24/69/14/602246914.db2.gz JNIYLKOUNLOHGW-KCJUWKMLSA-N -1 0 304.306 -0.304 20 0 DBADRM CN1CCO[C@H]2CN(CC(=O)N3CCC(C(=O)[O-])CC3)C[C@@H]21 ZINC000830966094 602261325 /nfs/dbraw/zinc/26/13/25/602261325.db2.gz XOYMEKUXVJCVTM-STQMWFEESA-N -1 0 311.382 -0.676 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@H](C)CC(=O)[O-])C1 ZINC000825871833 602271275 /nfs/dbraw/zinc/27/12/75/602271275.db2.gz YIMUTHIVOINXDU-MWLCHTKSSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)O[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000827324324 602275213 /nfs/dbraw/zinc/27/52/13/602275213.db2.gz CVVDKGOBZPZEPY-KXUCPTDWSA-N -1 0 314.338 -0.247 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@H](C)CC(=O)[O-] ZINC000831643161 602275330 /nfs/dbraw/zinc/27/53/30/602275330.db2.gz BZLSFLPBABRMNI-SFYZADRCSA-N -1 0 304.299 -0.499 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O ZINC000827333260 602275804 /nfs/dbraw/zinc/27/58/04/602275804.db2.gz JCKOPSSNFZYDCM-BDAKNGLRSA-N -1 0 300.311 -0.493 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC000829794947 602279837 /nfs/dbraw/zinc/27/98/37/602279837.db2.gz NTWYGECLNISVHV-SECBINFHSA-N -1 0 324.341 -0.107 20 0 DBADRM Cn1c(=O)oc2cc(NC(=O)C(=O)NCCNC(=O)[O-])ccc21 ZINC000740278772 602292308 /nfs/dbraw/zinc/29/23/08/602292308.db2.gz NDPZPRJEXOUGON-UHFFFAOYSA-N -1 0 322.277 -0.546 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)NCCN(C)C(=O)[O-])C1=O ZINC000739265715 602297111 /nfs/dbraw/zinc/29/71/11/602297111.db2.gz UANMNWHWTPFUJK-UHFFFAOYSA-N -1 0 314.342 -0.177 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)NCCN(C)C(=O)[O-])c1 ZINC000739750928 602298463 /nfs/dbraw/zinc/29/84/63/602298463.db2.gz SWEQCLOPZSMLSA-UHFFFAOYSA-N -1 0 315.351 -0.066 20 0 DBADRM CN(CCNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)[O-] ZINC000739692521 602298806 /nfs/dbraw/zinc/29/88/06/602298806.db2.gz QLYDWRSTWMYGJC-UWVGGRQHSA-N -1 0 311.338 -0.112 20 0 DBADRM CN(CCNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)[O-] ZINC000739692516 602298998 /nfs/dbraw/zinc/29/89/98/602298998.db2.gz QLYDWRSTWMYGJC-AOOOYVTPSA-N -1 0 311.338 -0.112 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000738035783 602302187 /nfs/dbraw/zinc/30/21/87/602302187.db2.gz HJNPMHKIJWWKKO-VHSXEESVSA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000738993856 602302518 /nfs/dbraw/zinc/30/25/18/602302518.db2.gz GIIAMORJYRPETL-SNVBAGLBSA-N -1 0 311.342 -0.190 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)[O-])CCO1 ZINC000739757345 602302939 /nfs/dbraw/zinc/30/29/39/602302939.db2.gz WYSYMOLBNWJYAF-SFYZADRCSA-N -1 0 304.324 -0.560 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C2(NC(=O)[O-])CCCC2)CCO1 ZINC000739756563 602302962 /nfs/dbraw/zinc/30/29/62/602302962.db2.gz RTLLIPFZSLQQCH-VIFPVBQESA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])N1CCC[C@@H](C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)C1 ZINC000738716618 602308575 /nfs/dbraw/zinc/30/85/75/602308575.db2.gz BIKKXVOHDQMXIO-PSASIEDQSA-N -1 0 309.322 -0.218 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)NC(C)(C)CNC(=O)[O-] ZINC000738856397 602308767 /nfs/dbraw/zinc/30/87/67/602308767.db2.gz YLHONMZEPXBAHT-UHFFFAOYSA-N -1 0 302.375 -0.395 20 0 DBADRM CCN(CCNC(=O)[C@@H]1CC(=O)N(CCOC)C1)C(=O)[O-] ZINC000739425620 602314420 /nfs/dbraw/zinc/31/44/20/602314420.db2.gz XDTQRAHIVJYUST-SNVBAGLBSA-N -1 0 301.343 -0.403 20 0 DBADRM CCN(CCNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000739422884 602314792 /nfs/dbraw/zinc/31/47/92/602314792.db2.gz AJDOOWAWVWAHEG-WAYWQWQTSA-N -1 0 324.337 -0.787 20 0 DBADRM CCN(CCNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000739425404 602315737 /nfs/dbraw/zinc/31/57/37/602315737.db2.gz RCYPPLMFYVSAMF-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CCN(CCNC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000739425405 602315840 /nfs/dbraw/zinc/31/58/40/602315840.db2.gz RCYPPLMFYVSAMF-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NCCN(C)C(=O)[O-])cn1C ZINC000739747028 602317465 /nfs/dbraw/zinc/31/74/65/602317465.db2.gz YLCACAZFIMOJJJ-UHFFFAOYSA-N -1 0 318.355 -0.727 20 0 DBADRM Cn1cc(S(=O)(=O)NC(C)(C)CNC(=O)[O-])cc1C(N)=O ZINC000740291529 602317534 /nfs/dbraw/zinc/31/75/34/602317534.db2.gz VGWSYDAAVXBIIK-UHFFFAOYSA-N -1 0 318.355 -0.552 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)NCCN(C)C(=O)[O-])CC1 ZINC000739755707 602317582 /nfs/dbraw/zinc/31/75/82/602317582.db2.gz LHFPBLPGZLNBRO-UHFFFAOYSA-N -1 0 323.371 -0.684 20 0 DBADRM CN(CC(=O)Nc1cnn(CCN2CCOCC2)c1)C(=O)[O-] ZINC000737399395 602319816 /nfs/dbraw/zinc/31/98/16/602319816.db2.gz HUTVCIMWPZYLQU-UHFFFAOYSA-N -1 0 311.342 -0.236 20 0 DBADRM CN(CC(=O)NCCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000739624347 602324345 /nfs/dbraw/zinc/32/43/45/602324345.db2.gz WWDGABPRNDRELN-UHFFFAOYSA-N -1 0 315.351 -0.309 20 0 DBADRM CN(CCN1CCOCC1)C(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000739687882 602325751 /nfs/dbraw/zinc/32/57/51/602325751.db2.gz RXKGILDWZLNCNN-JTQLQIEISA-N -1 0 303.384 -0.170 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@@H](C)CCS(C)(=O)=O)C(=O)[O-] ZINC000827421932 602330393 /nfs/dbraw/zinc/33/03/93/602330393.db2.gz FOHAKYZWCBSXDE-YUMQZZPRSA-N -1 0 301.386 -0.550 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)NCCN1CCOCC1 ZINC000740011764 602331954 /nfs/dbraw/zinc/33/19/54/602331954.db2.gz WNLYAULTWCGTDA-JTQLQIEISA-N -1 0 305.400 -0.176 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N[C@@H]2CCCC[C@H]2O)CC1 ZINC000740440617 602332795 /nfs/dbraw/zinc/33/27/95/602332795.db2.gz SONPNHSSMHEPFB-VXGBXAGGSA-N -1 0 314.386 -0.115 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)OCCCNC(=O)[O-] ZINC000738553301 602335149 /nfs/dbraw/zinc/33/51/49/602335149.db2.gz VWRYIJULMJKHML-SNVBAGLBSA-N -1 0 315.326 -0.686 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCNC(=O)[O-])C1 ZINC000739519924 602344007 /nfs/dbraw/zinc/34/40/07/602344007.db2.gz XEVSNERRQRDKIL-SNVBAGLBSA-N -1 0 321.399 -0.178 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000739315967 602345461 /nfs/dbraw/zinc/34/54/61/602345461.db2.gz STKRTBVTAZYJDL-NSHDSACASA-N -1 0 314.386 -0.345 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCCCNC(=O)[O-])c1 ZINC000739615323 602346365 /nfs/dbraw/zinc/34/63/65/602346365.db2.gz QTUAJEGSVAJGEG-UHFFFAOYSA-N -1 0 318.355 -0.348 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)NCCCNC(=O)[O-])[nH]c2=O ZINC000740296956 602347304 /nfs/dbraw/zinc/34/73/04/602347304.db2.gz KRDJCHJQAFCMKD-UHFFFAOYSA-N -1 0 322.325 -0.225 20 0 DBADRM CC(C)N(CC(N)=O)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000826940200 602350541 /nfs/dbraw/zinc/35/05/41/602350541.db2.gz KDQJQPUJXVCTGP-UHFFFAOYSA-N -1 0 314.367 -0.096 20 0 DBADRM CC(C)N(CCC(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000738839823 602356470 /nfs/dbraw/zinc/35/64/70/602356470.db2.gz QDAOENMCWPHDSD-UHFFFAOYSA-N -1 0 321.399 -0.131 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000739310633 602370228 /nfs/dbraw/zinc/37/02/28/602370228.db2.gz HJWVFBOPHURWPD-JTQLQIEISA-N -1 0 321.399 -0.037 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)NCCCNC(=O)[O-])CC1 ZINC000739755102 602387785 /nfs/dbraw/zinc/38/77/85/602387785.db2.gz DJECADCBXAHBAW-UHFFFAOYSA-N -1 0 323.371 -0.637 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)NC1CCN(CC(=O)NC)CC1 ZINC000739312457 602390410 /nfs/dbraw/zinc/39/04/10/602390410.db2.gz MOVRHJZUAGCBIE-NSHDSACASA-N -1 0 314.386 -0.251 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@@H](O)c2ccccc2F)nn1 ZINC000833121799 602393432 /nfs/dbraw/zinc/39/34/32/602393432.db2.gz LYIOYAFWDQRCDX-LLVKDONJSA-N -1 0 308.269 -0.035 20 0 DBADRM CN(CCCNC(=O)NCCCNC(=O)[O-])S(C)(=O)=O ZINC000739672713 602393533 /nfs/dbraw/zinc/39/35/33/602393533.db2.gz AXMQWDMIJAFWMX-UHFFFAOYSA-N -1 0 310.376 -0.775 20 0 DBADRM O=C([O-])NCCCNC(=O)NCCC(=O)N1CCOCC1 ZINC000740652564 602393974 /nfs/dbraw/zinc/39/39/74/602393974.db2.gz MNJQICIDNHYOBY-UHFFFAOYSA-N -1 0 302.331 -0.808 20 0 DBADRM O=C([O-])NCCCNC(=O)NCCN1C(=O)CSC1=O ZINC000740653978 602394507 /nfs/dbraw/zinc/39/45/07/602394507.db2.gz XSDUCNSRXLUOFN-UHFFFAOYSA-N -1 0 304.328 -0.361 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)NCCCNC(=O)[O-] ZINC000738859587 602395280 /nfs/dbraw/zinc/39/52/80/602395280.db2.gz IKVZFFWQEOFXGE-UHFFFAOYSA-N -1 0 310.376 -0.729 20 0 DBADRM COc1ccccc1[C@@H](O)CNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000832595556 602398300 /nfs/dbraw/zinc/39/83/00/602398300.db2.gz MGIKTOGSTANMNF-NSHDSACASA-N -1 0 320.305 -0.165 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830551615 602402240 /nfs/dbraw/zinc/40/22/40/602402240.db2.gz FMCLVYYHNDRIBL-UHFFFAOYSA-N -1 0 311.269 -0.333 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)NCCCNC(=O)[O-] ZINC000738702280 602403527 /nfs/dbraw/zinc/40/35/27/602403527.db2.gz CADXVYTXHUQAKB-UHFFFAOYSA-N -1 0 324.403 -0.339 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)NCCCNC(=O)[O-])C1 ZINC000739991121 602404235 /nfs/dbraw/zinc/40/42/35/602404235.db2.gz KFTIUGZMBVPVHO-VIFPVBQESA-N -1 0 322.387 -0.633 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)NCCCNC(=O)[O-])CC1 ZINC000739601275 602404241 /nfs/dbraw/zinc/40/42/41/602404241.db2.gz ZDLHMEUMGLHXHY-UHFFFAOYSA-N -1 0 301.347 -0.347 20 0 DBADRM O=C([O-])NCCCNC(=O)N1CCN(c2ncccn2)CC1 ZINC000740649197 602404811 /nfs/dbraw/zinc/40/48/11/602404811.db2.gz BYRFMHVLWZUNDM-UHFFFAOYSA-N -1 0 308.342 -0.034 20 0 DBADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 ZINC000738995782 602405062 /nfs/dbraw/zinc/40/50/62/602405062.db2.gz FUDAJQOOZHCNRQ-VIFPVBQESA-N -1 0 321.399 -0.228 20 0 DBADRM O=C([O-])NCCCNC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000740652173 602406777 /nfs/dbraw/zinc/40/67/77/602406777.db2.gz IQVBJHGUGGJVMM-UHFFFAOYSA-N -1 0 323.305 -0.081 20 0 DBADRM COC(=O)CNC(=O)CN1CCC(CN(C)C(=O)[O-])CC1 ZINC000739760377 602408683 /nfs/dbraw/zinc/40/86/83/602408683.db2.gz FGEDNZCPXMSZAS-UHFFFAOYSA-N -1 0 301.343 -0.403 20 0 DBADRM CN1CC(=O)N(CC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000739723265 602419311 /nfs/dbraw/zinc/41/93/11/602419311.db2.gz KUHLPCBHYYPDPY-SECBINFHSA-N -1 0 312.326 -0.613 20 0 DBADRM COCCS(=O)(=O)CC(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000739838293 602420386 /nfs/dbraw/zinc/42/03/86/602420386.db2.gz PHTTTWZTCOCHHP-JTQLQIEISA-N -1 0 322.383 -0.446 20 0 DBADRM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)CNC(=O)[O-] ZINC000736809468 602421676 /nfs/dbraw/zinc/42/16/76/602421676.db2.gz LIMJCSCFBGGMOG-NEPJUHHUSA-N -1 0 314.386 -0.883 20 0 DBADRM COCC(=O)N1CCN(C(=O)NCCCNC(=O)[O-])CC1 ZINC000739806543 602421848 /nfs/dbraw/zinc/42/18/48/602421848.db2.gz VSFZSNPUXDQGHY-UHFFFAOYSA-N -1 0 302.331 -0.856 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)NCCCNC(=O)[O-])CC1 ZINC000739514956 602422010 /nfs/dbraw/zinc/42/20/10/602422010.db2.gz CHQLOJYYFZJMQP-UHFFFAOYSA-N -1 0 322.387 -0.679 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC000739146541 602425520 /nfs/dbraw/zinc/42/55/20/602425520.db2.gz ATQSLXKIGKUJGY-SECBINFHSA-N -1 0 310.310 -0.863 20 0 DBADRM Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NCCCNC(=O)[O-] ZINC000740117775 602426058 /nfs/dbraw/zinc/42/60/58/602426058.db2.gz MHRDZNVEALBUGJ-UHFFFAOYSA-N -1 0 322.321 -0.194 20 0 DBADRM CNC(=O)c1cccc(NC(=O)C(=O)NCCCNC(=O)[O-])c1 ZINC000739747421 602426971 /nfs/dbraw/zinc/42/69/71/602426971.db2.gz HFFRQLTUKVTTTK-UHFFFAOYSA-N -1 0 322.321 -0.241 20 0 DBADRM CN(C[C@H]1CCN(C(=S)NCCS(C)(=O)=O)C1)C(=O)[O-] ZINC000739659357 602430240 /nfs/dbraw/zinc/43/02/40/602430240.db2.gz JHEDIOONLWFLBW-SECBINFHSA-N -1 0 323.440 -0.163 20 0 DBADRM CCN(CCNC(=O)NCC(=O)NCC(F)(F)F)C(=O)[O-] ZINC000739430235 602440367 /nfs/dbraw/zinc/44/03/67/602440367.db2.gz DZGDXBWNPGZJSP-UHFFFAOYSA-N -1 0 314.264 -0.036 20 0 DBADRM COc1ccnc(N2CCN(C(=O)NCCNC(=O)[O-])CC2)n1 ZINC000739986922 602442249 /nfs/dbraw/zinc/44/22/49/602442249.db2.gz ZLHFUKNWVNUZEK-UHFFFAOYSA-N -1 0 324.341 -0.416 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)NCCN(C)C(=O)[O-])CC1 ZINC000739463464 602443507 /nfs/dbraw/zinc/44/35/07/602443507.db2.gz RDAUEGIEHDSXHI-UHFFFAOYSA-N -1 0 315.374 -0.941 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739037276 602459704 /nfs/dbraw/zinc/45/97/04/602459704.db2.gz GYEXAOPUXDLFPC-DTWKUNHWSA-N -1 0 321.399 -0.181 20 0 DBADRM O=C([O-])NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000740602186 602464354 /nfs/dbraw/zinc/46/43/54/602464354.db2.gz WVYKSGGIKNNLSX-ZJUUUORDSA-N -1 0 320.367 -0.551 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)Cn1nc2ccccn2c1=O ZINC000738932744 602465071 /nfs/dbraw/zinc/46/50/71/602465071.db2.gz XSUNQHJHRLWKCA-SECBINFHSA-N -1 0 307.310 -0.390 20 0 DBADRM NC(=O)CN1CCN(C(=O)C2(NC(=O)[O-])CCCCC2)CC1 ZINC000740333100 602465682 /nfs/dbraw/zinc/46/56/82/602465682.db2.gz BCKBONDRTADROO-UHFFFAOYSA-N -1 0 312.370 -0.414 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000738926642 602466264 /nfs/dbraw/zinc/46/62/64/602466264.db2.gz FIBCWMPNAASPKJ-MRVPVSSYSA-N -1 0 321.341 -0.096 20 0 DBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)c2cocn2)C1 ZINC000740659221 602467424 /nfs/dbraw/zinc/46/74/24/602467424.db2.gz HRHMNFBXSWAVKP-SECBINFHSA-N -1 0 310.310 -0.089 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000739072182 602469654 /nfs/dbraw/zinc/46/96/54/602469654.db2.gz BAXHNECWERQFNF-YMTOWFKASA-N -1 0 324.337 -0.425 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1)N1C(=O)CCC1=O ZINC000738618574 602484464 /nfs/dbraw/zinc/48/44/64/602484464.db2.gz UCKPODOILDRCEC-ZJUUUORDSA-N -1 0 311.338 -0.018 20 0 DBADRM COC(=O)NCC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739771405 602496707 /nfs/dbraw/zinc/49/67/07/602496707.db2.gz ACUXKOHQZBQDTK-UHFFFAOYSA-N -1 0 302.331 -0.904 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1cccc[n+]1[O-] ZINC000739688853 602496906 /nfs/dbraw/zinc/49/69/06/602496906.db2.gz UHTLFEQYQMUUAO-UHFFFAOYSA-N -1 0 308.338 -0.312 20 0 DBADRM O=C([O-])N1CCCC[C@@H]1C(=O)NCCC(=O)N1CCOCC1 ZINC000740420106 602497939 /nfs/dbraw/zinc/49/79/39/602497939.db2.gz WYNFIVVHEDHTFT-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000739313076 602500823 /nfs/dbraw/zinc/50/08/23/602500823.db2.gz MHSCSUNIOBBNHQ-NXEZZACHSA-N -1 0 321.399 -0.050 20 0 DBADRM CCCN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739351926 602513756 /nfs/dbraw/zinc/51/37/56/602513756.db2.gz UOKMBHRUJHJWFI-JTQLQIEISA-N -1 0 324.337 -0.060 20 0 DBADRM CCCN(C(=O)CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739346273 602515215 /nfs/dbraw/zinc/51/52/15/602515215.db2.gz VLBREBSPCPQFKD-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM CCCN(C(=O)CN(C)S(C)(=O)=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739343167 602515958 /nfs/dbraw/zinc/51/59/58/602515958.db2.gz KAWQVMHEBJDCFB-JTQLQIEISA-N -1 0 321.399 -0.131 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC000738013161 602524120 /nfs/dbraw/zinc/52/41/20/602524120.db2.gz SSFKRJIDOGQBRW-UHFFFAOYSA-N -1 0 312.326 -0.519 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000738935752 602526022 /nfs/dbraw/zinc/52/60/22/602526022.db2.gz WQYNULHAINQNTI-SSDOTTSWSA-N -1 0 320.305 -0.056 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)cs1 ZINC000740339335 602534687 /nfs/dbraw/zinc/53/46/87/602534687.db2.gz YXLFUYXIHSBNGL-ZETCQYMHSA-N -1 0 319.364 -0.122 20 0 DBADRM CN(C(=O)[O-])C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000737938904 602537950 /nfs/dbraw/zinc/53/79/50/602537950.db2.gz KTVILAFDCKGZRD-UHFFFAOYSA-N -1 0 307.372 -0.362 20 0 DBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740379434 602538466 /nfs/dbraw/zinc/53/84/66/602538466.db2.gz HOBVKNMOQPOEFT-BDAKNGLRSA-N -1 0 322.408 -0.225 20 0 DBADRM NS(=O)(=O)CCNC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000740339292 602547013 /nfs/dbraw/zinc/54/70/13/602547013.db2.gz XYHZYOIISWBEAS-UHFFFAOYSA-N -1 0 305.287 -0.066 20 0 DBADRM CN(C[C@@H]1CCN(S(=O)(=O)N2CCOCC2)C1)C(=O)[O-] ZINC000739664755 602549360 /nfs/dbraw/zinc/54/93/60/602549360.db2.gz NYEXJBSAFIONOU-JTQLQIEISA-N -1 0 307.372 -0.505 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCC[C@@H](NC(=O)[O-])C1 ZINC000737863755 602549779 /nfs/dbraw/zinc/54/97/79/602549779.db2.gz ZHJOBSZKYMEQFA-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM O=C([O-])N1CCCC[C@H]1C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000740729850 602555797 /nfs/dbraw/zinc/55/57/97/602555797.db2.gz IJEALDNKEHXODO-VIFPVBQESA-N -1 0 313.310 -0.980 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)CN(C)[C@@H](C)CNC(=O)[O-])C1 ZINC000738544274 602556595 /nfs/dbraw/zinc/55/65/95/602556595.db2.gz YEUGKHBQWURRPH-CMPLNLGQSA-N -1 0 314.386 -0.299 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000739812587 602563272 /nfs/dbraw/zinc/56/32/72/602563272.db2.gz IHUDEIVDVOHBRU-SNVBAGLBSA-N -1 0 309.388 -0.211 20 0 DBADRM CS(=O)(=O)CCNC(=S)NC[C@H]1CCCN1C(=O)[O-] ZINC000739981805 602567090 /nfs/dbraw/zinc/56/70/90/602567090.db2.gz BVMICELERKDMNT-MRVPVSSYSA-N -1 0 309.413 -0.363 20 0 DBADRM CCNC(=O)CCCC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739464093 602568132 /nfs/dbraw/zinc/56/81/32/602568132.db2.gz XYANGQARMKWIKH-UHFFFAOYSA-N -1 0 314.386 -0.295 20 0 DBADRM COC(=O)NCCC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739771643 602570038 /nfs/dbraw/zinc/57/00/38/602570038.db2.gz AOLMMRJYKCXXLT-UHFFFAOYSA-N -1 0 316.358 -0.466 20 0 DBADRM CCN(CCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1)C(=O)[O-] ZINC000739439450 602573572 /nfs/dbraw/zinc/57/35/72/602573572.db2.gz NKRGXBREFGNNGV-UHFFFAOYSA-N -1 0 308.302 -0.576 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN2C(=O)[O-])o1 ZINC000740340779 602579167 /nfs/dbraw/zinc/57/91/67/602579167.db2.gz MVMHZFISJHJLNU-SSDOTTSWSA-N -1 0 317.323 -0.201 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NCCN2C(=O)CSC2=O)C1 ZINC000740439009 602579289 /nfs/dbraw/zinc/57/92/89/602579289.db2.gz KKCXMOIKOFYAIG-ZETCQYMHSA-N -1 0 316.339 -0.267 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000739989411 602585448 /nfs/dbraw/zinc/58/54/48/602585448.db2.gz BCXJTZFNRWVGGQ-UWVGGRQHSA-N -1 0 319.383 -0.331 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000740357665 602587713 /nfs/dbraw/zinc/58/77/13/602587713.db2.gz ZTSWJQBNXKDONQ-SNVBAGLBSA-N -1 0 319.383 -0.329 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)[C@@H](O)c2cccnc2)CC1 ZINC000740438214 602588625 /nfs/dbraw/zinc/58/86/25/602588625.db2.gz DGCPUCQBUMXMGW-LBPRGKRZSA-N -1 0 308.338 -0.473 20 0 DBADRM C[C@H](NC(=O)CN1CC(=O)NC1=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738963418 602589906 /nfs/dbraw/zinc/58/99/06/602589906.db2.gz XONZYGBVJWQIMH-IUCAKERBSA-N -1 0 312.326 -0.567 20 0 DBADRM C[C@@H](NC(=O)CN1CC(=O)NC1=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738963415 602589967 /nfs/dbraw/zinc/58/99/67/602589967.db2.gz XONZYGBVJWQIMH-BDAKNGLRSA-N -1 0 312.326 -0.567 20 0 DBADRM Cn1c(NC[C@H]2CCCN2C(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000740282450 602591216 /nfs/dbraw/zinc/59/12/16/602591216.db2.gz NOXPTAHQISRGRB-SSDOTTSWSA-N -1 0 322.325 -0.073 20 0 DBADRM CN(C[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1)C(=O)[O-] ZINC000739643231 602591673 /nfs/dbraw/zinc/59/16/73/602591673.db2.gz FQWREPRUDNIQSC-SECBINFHSA-N -1 0 312.326 -0.613 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC000739587127 602592261 /nfs/dbraw/zinc/59/22/61/602592261.db2.gz GLSSNNLYOKGNPA-UHFFFAOYSA-N -1 0 312.326 -0.471 20 0 DBADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC000739000036 602592426 /nfs/dbraw/zinc/59/24/26/602592426.db2.gz PZWVJOBDRZQRRB-QMMMGPOBSA-N -1 0 312.326 -0.567 20 0 DBADRM O=C(CN1CC(=O)NC1=O)NCC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740369017 602592802 /nfs/dbraw/zinc/59/28/02/602592802.db2.gz NRPGDFOJAYJBQH-VIFPVBQESA-N -1 0 312.326 -0.566 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)n1 ZINC000739599159 602603526 /nfs/dbraw/zinc/60/35/26/602603526.db2.gz GJKGNXBXIVXKPL-SECBINFHSA-N -1 0 324.341 -0.155 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000740340274 602607008 /nfs/dbraw/zinc/60/70/08/602607008.db2.gz FAOOOLSKSRJYMN-QMMMGPOBSA-N -1 0 319.325 -0.333 20 0 DBADRM Cc1cc(C(=O)NCCNC(=O)[O-])ccc1S(N)(=O)=O ZINC000740058361 602607847 /nfs/dbraw/zinc/60/78/47/602607847.db2.gz IWMATOKFXGWKLF-UHFFFAOYSA-N -1 0 301.324 -0.360 20 0 DBADRM COC[C@H](C)NC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739809310 602608727 /nfs/dbraw/zinc/60/87/27/602608727.db2.gz YHYHAGSPLJGZAG-NSHDSACASA-N -1 0 302.375 -0.042 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NCCCN2CCOCC2)C1 ZINC000740428732 602611311 /nfs/dbraw/zinc/61/13/11/602611311.db2.gz OOGDCBMQTYVBCC-NSHDSACASA-N -1 0 300.359 -0.240 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)NCC1(O)CCOCC1 ZINC000740414789 602617340 /nfs/dbraw/zinc/61/73/40/602617340.db2.gz DQIJQXBXPDLDIG-SNVBAGLBSA-N -1 0 301.343 -0.031 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000738861776 602624052 /nfs/dbraw/zinc/62/40/52/602624052.db2.gz ZFODWBQIKJCZMQ-SECBINFHSA-N -1 0 324.403 -0.388 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCN(C(=O)[O-])C1)CC2 ZINC000740231144 602627426 /nfs/dbraw/zinc/62/74/26/602627426.db2.gz GVYHFBZILLWBGQ-ZJUUUORDSA-N -1 0 308.342 -0.047 20 0 DBADRM CN(CCNC(=O)N1CCO[C@H](Cn2cccn2)C1)C(=O)[O-] ZINC000739693099 602629031 /nfs/dbraw/zinc/62/90/31/602629031.db2.gz SLMFUZLXVDOHNT-NSHDSACASA-N -1 0 311.342 -0.097 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739755503 602633299 /nfs/dbraw/zinc/63/32/99/602633299.db2.gz JGDPWDGIBRDLJH-DTWKUNHWSA-N -1 0 301.299 -0.678 20 0 DBADRM CN(CCNC(=O)Nc1cnn(CC(=O)NC2CC2)c1)C(=O)[O-] ZINC000739696812 602634026 /nfs/dbraw/zinc/63/40/26/602634026.db2.gz AYODTZOIBRQAJI-UHFFFAOYSA-N -1 0 324.341 -0.107 20 0 DBADRM CN(C(=O)N[C@@H]1CCN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000739578169 602635323 /nfs/dbraw/zinc/63/53/23/602635323.db2.gz XKGKBJSURPAKDO-BDAKNGLRSA-N -1 0 305.356 -0.433 20 0 DBADRM CN1CCO[C@H](CNC(=O)N2CC[C@H](CNC(=O)[O-])C2)C1 ZINC000739746057 602638642 /nfs/dbraw/zinc/63/86/42/602638642.db2.gz ZKDYMYXNZJGEHY-GHMZBOCLSA-N -1 0 300.359 -0.384 20 0 DBADRM CCN(CCNC(=O)NCCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000739433044 602651848 /nfs/dbraw/zinc/65/18/48/602651848.db2.gz VFSLWIQJEJYJKY-UHFFFAOYSA-N -1 0 315.330 -0.773 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)OCCN(C)C(=O)[O-] ZINC000737545856 602657828 /nfs/dbraw/zinc/65/78/28/602657828.db2.gz DHDNJHMZOYWBLE-SNVBAGLBSA-N -1 0 315.326 -0.734 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)COCCNC(=O)[O-])cn1 ZINC000739994454 602661257 /nfs/dbraw/zinc/66/12/57/602661257.db2.gz PYPVBGBDQTXXKJ-UHFFFAOYSA-N -1 0 317.323 -0.292 20 0 DBADRM CCC(=O)N1CCCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000739212580 602662070 /nfs/dbraw/zinc/66/20/70/602662070.db2.gz UYHWSEHBYOMKNS-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)CCCNC(=O)[O-] ZINC000737370693 602662281 /nfs/dbraw/zinc/66/22/81/602662281.db2.gz QHMHSPOTJNEZMY-UHFFFAOYSA-N -1 0 311.360 -0.684 20 0 DBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000739613784 602662639 /nfs/dbraw/zinc/66/26/39/602662639.db2.gz CMZNJQCBTFUCEX-VIFPVBQESA-N -1 0 323.371 -0.590 20 0 DBADRM CNC(=O)C1CCC(NC(=O)COCCNC(=O)[O-])CC1 ZINC000739737119 602663551 /nfs/dbraw/zinc/66/35/51/602663551.db2.gz CRFTYIFXHKPFPZ-UHFFFAOYSA-N -1 0 301.343 -0.308 20 0 DBADRM O=C([O-])N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000740492974 602664235 /nfs/dbraw/zinc/66/42/35/602664235.db2.gz UMGHOTXEFBBSBB-LLVKDONJSA-N -1 0 306.384 -0.124 20 0 DBADRM CC(C)C(=O)N1CCCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000738763475 602664982 /nfs/dbraw/zinc/66/49/82/602664982.db2.gz KZFBZIKTUIUVLE-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000738757709 602666247 /nfs/dbraw/zinc/66/62/47/602666247.db2.gz MBHLBAFKELFBJM-UHFFFAOYSA-N -1 0 303.359 -0.814 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000740667425 602667763 /nfs/dbraw/zinc/66/77/63/602667763.db2.gz NDBUWHKGVNJQRC-UHFFFAOYSA-N -1 0 309.326 -0.218 20 0 DBADRM CN(CC(=O)Nc1ccccc1C(=O)NCCC(N)=O)C(=O)[O-] ZINC000737397447 602674061 /nfs/dbraw/zinc/67/40/61/602674061.db2.gz RSTXFCUKVTXUMI-UHFFFAOYSA-N -1 0 322.321 -0.160 20 0 DBADRM CNC(=O)C1(C(=O)NCCN2CCN(C(=O)[O-])CC2)CCC1 ZINC000739743328 602674155 /nfs/dbraw/zinc/67/41/55/602674155.db2.gz ONLUSGCYGXWLKL-UHFFFAOYSA-N -1 0 312.370 -0.686 20 0 DBADRM COCCN(C(=O)[C@H](C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739812729 602675469 /nfs/dbraw/zinc/67/54/69/602675469.db2.gz NWXYLWXAFHBCJN-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000737162185 602683187 /nfs/dbraw/zinc/68/31/87/602683187.db2.gz OANDYADXIJOWEP-LLVKDONJSA-N -1 0 317.386 -0.426 20 0 DBADRM CCOC[C@@H](O)CN1CCN(C(=O)[C@H](C)NC(=O)[O-])CC1 ZINC000739491601 602683773 /nfs/dbraw/zinc/68/37/73/602683773.db2.gz VLDGGVLTRPLJIR-QWRGUYRKSA-N -1 0 303.359 -0.816 20 0 DBADRM O=C([O-])NCCC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000738656681 602686085 /nfs/dbraw/zinc/68/60/85/602686085.db2.gz TUSVUDHBIZAQNO-UHFFFAOYSA-N -1 0 311.342 -0.189 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000738444060 602689850 /nfs/dbraw/zinc/68/98/50/602689850.db2.gz ABAVVLWVPOIEKL-BDAKNGLRSA-N -1 0 305.356 -0.734 20 0 DBADRM O=C([O-])N1CC[C@@H](CCNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000740425528 602690746 /nfs/dbraw/zinc/69/07/46/602690746.db2.gz GJHOVTXKYWMBMW-NXEZZACHSA-N -1 0 319.383 -0.137 20 0 DBADRM O=C([O-])N(CCNC(=O)Cn1ncn2nccc2c1=O)C1CC1 ZINC000740389163 602703077 /nfs/dbraw/zinc/70/30/77/602703077.db2.gz BCSJURRXWFKTED-UHFFFAOYSA-N -1 0 320.309 -0.850 20 0 DBADRM CN(C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)[C@H]1CCOC1 ZINC000739576447 602704910 /nfs/dbraw/zinc/70/49/10/602704910.db2.gz NXLFHBKUUPIWIJ-JTQLQIEISA-N -1 0 314.342 -0.761 20 0 DBADRM CS(=O)(=O)NCCNC(=O)c1csc(CNC(=O)[O-])n1 ZINC000739994293 602706565 /nfs/dbraw/zinc/70/65/65/602706565.db2.gz JFOCLMCEFHEMOJ-UHFFFAOYSA-N -1 0 322.368 -0.810 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCN1CCCS1(=O)=O ZINC000739148267 602716177 /nfs/dbraw/zinc/71/61/77/602716177.db2.gz JSCRPWLAABCNAV-SNVBAGLBSA-N -1 0 319.383 -0.377 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CN1CCCS1(=O)=O ZINC000739148219 602719102 /nfs/dbraw/zinc/71/91/02/602719102.db2.gz ITQXLRWBHAGHLH-SECBINFHSA-N -1 0 305.356 -0.767 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cn1nc2ccccn2c1=O ZINC000739150826 602720482 /nfs/dbraw/zinc/72/04/82/602720482.db2.gz CVXCCONXJWANMF-JTQLQIEISA-N -1 0 319.321 -0.293 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000738993732 602729266 /nfs/dbraw/zinc/72/92/66/602729266.db2.gz GTQPLCIUJPXWNA-SECBINFHSA-N -1 0 321.399 -0.732 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000739530797 602729356 /nfs/dbraw/zinc/72/93/56/602729356.db2.gz KIUIGWNQVVZMCO-JTQLQIEISA-N -1 0 321.399 -0.132 20 0 DBADRM CS(=O)(=O)Nc1cccc(CC(=O)NCCNC(=O)[O-])c1 ZINC000739996117 602731763 /nfs/dbraw/zinc/73/17/63/602731763.db2.gz OGNMEOXOTHFBCD-UHFFFAOYSA-N -1 0 315.351 -0.016 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NCCCS(C)(=O)=O ZINC000739151647 602748225 /nfs/dbraw/zinc/74/82/25/602748225.db2.gz HYRBTQSSSJIFLY-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM C[C@@H](CCNC(=O)NCC(C)(C)NS(C)(=O)=O)NC(=O)[O-] ZINC000738908314 602749367 /nfs/dbraw/zinc/74/93/67/602749367.db2.gz STXFLSOFXMIYGB-QMMMGPOBSA-N -1 0 324.403 -0.340 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NCC[C@@H](C)NC(=O)[O-] ZINC000739466605 602749815 /nfs/dbraw/zinc/74/98/15/602749815.db2.gz UQABOBKEUDKQIR-MRVPVSSYSA-N -1 0 310.376 -0.729 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000739155116 602753080 /nfs/dbraw/zinc/75/30/80/602753080.db2.gz SARPATBFFXEAGB-DTWKUNHWSA-N -1 0 305.356 -0.433 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000739838267 602762146 /nfs/dbraw/zinc/76/21/46/602762146.db2.gz PBEYLRMQWYQMBS-NXEZZACHSA-N -1 0 322.383 -0.400 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCN(C)C(=O)[O-])ccc1C(N)=O ZINC000740078058 602765206 /nfs/dbraw/zinc/76/52/06/602765206.db2.gz DRWYDXNZUOUXCW-UHFFFAOYSA-N -1 0 322.321 -0.242 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H](C)N1C(=O)[O-] ZINC000739139770 602765838 /nfs/dbraw/zinc/76/58/38/602765838.db2.gz ZGDQFAJRDQGBMY-UWVGGRQHSA-N -1 0 319.383 -0.379 20 0 DBADRM CCn1cc(NC(=O)C(=O)NCCN(C)C(=O)[O-])ccc1=O ZINC000739567028 602768595 /nfs/dbraw/zinc/76/85/95/602768595.db2.gz OPTUEGKMYNKKJG-UHFFFAOYSA-N -1 0 310.310 -0.467 20 0 DBADRM CCN(C(=O)c1ccc(CNC(=O)[O-])o1)[C@H]1CC(=O)NC1=O ZINC000826983177 602779872 /nfs/dbraw/zinc/77/98/72/602779872.db2.gz FXKXRFZDBUEPHJ-QMMMGPOBSA-N -1 0 309.278 -0.076 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000737768067 602794695 /nfs/dbraw/zinc/79/46/95/602794695.db2.gz NKGXWFRLAUEOTE-NSHDSACASA-N -1 0 303.359 -0.158 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@H]1CSCN1C(=O)[O-] ZINC000739815048 602795501 /nfs/dbraw/zinc/79/55/01/602795501.db2.gz XSWAPTZNXDNWQH-SECBINFHSA-N -1 0 319.383 -0.398 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)S(=O)(=O)CCCS(C)(=O)=O ZINC000738945146 602802252 /nfs/dbraw/zinc/80/22/52/602802252.db2.gz YUBHMALKRJDUMV-MRVPVSSYSA-N -1 0 316.401 -0.661 20 0 DBADRM CC(C)(CCC(=O)NCCCN1C(=O)CNC1=O)NC(=O)[O-] ZINC000738738630 602803976 /nfs/dbraw/zinc/80/39/76/602803976.db2.gz BIFOHSSVANXHCS-UHFFFAOYSA-N -1 0 314.342 -0.129 20 0 DBADRM C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H](C)N1C(=O)[O-] ZINC000739138124 602808028 /nfs/dbraw/zinc/80/80/28/602808028.db2.gz VXOMUTLNXCCPRH-DTORHVGOSA-N -1 0 312.326 -0.520 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739813223 602809673 /nfs/dbraw/zinc/80/96/73/602809673.db2.gz LQMVKVVQXBVNQJ-NXEZZACHSA-N -1 0 309.388 -0.213 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739813226 602809684 /nfs/dbraw/zinc/80/96/84/602809684.db2.gz LQMVKVVQXBVNQJ-VHSXEESVSA-N -1 0 309.388 -0.213 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])n1 ZINC000739750798 602813899 /nfs/dbraw/zinc/81/38/99/602813899.db2.gz YABORJCQZJFCFW-JGVFFNPUSA-N -1 0 310.314 -0.601 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCCN1CCOCC1 ZINC000740426195 602821661 /nfs/dbraw/zinc/82/16/61/602821661.db2.gz AUYKFYBPODWEHR-NSHDSACASA-N -1 0 301.343 -0.796 20 0 DBADRM COC(=O)C1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739756117 602823881 /nfs/dbraw/zinc/82/38/81/602823881.db2.gz ODCPFVOZSOQXQK-JTQLQIEISA-N -1 0 300.311 -0.223 20 0 DBADRM Cc1ccc(C(=O)N(CC(N)=O)CC(N)=O)cc1NC(=O)[O-] ZINC000830182283 602825225 /nfs/dbraw/zinc/82/52/25/602825225.db2.gz WZGFLZVUBJKMOY-UHFFFAOYSA-N -1 0 308.294 -0.502 20 0 DBADRM CC(C)[C@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000738789086 602827309 /nfs/dbraw/zinc/82/73/09/602827309.db2.gz QQSDPQYONFMUOD-IUCAKERBSA-N -1 0 307.372 -0.235 20 0 DBADRM C[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@@H](C)N1C(=O)[O-] ZINC000739189209 602827635 /nfs/dbraw/zinc/82/76/35/602827635.db2.gz ZVBJSYXZRKTOAK-NXEZZACHSA-N -1 0 310.354 -0.343 20 0 DBADRM CN(CCNC(=O)N(C)C[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739695585 602831475 /nfs/dbraw/zinc/83/14/75/602831475.db2.gz VSAJSOZOTKCJAY-VIFPVBQESA-N -1 0 307.372 -0.328 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000740353375 602839494 /nfs/dbraw/zinc/83/94/94/602839494.db2.gz XNVMMGHPDMQFSC-JTQLQIEISA-N -1 0 300.311 -0.269 20 0 DBADRM NC(=O)c1cccc(CNC(=O)[C@H]2COCCN2C(=O)[O-])c1 ZINC000740335348 602840915 /nfs/dbraw/zinc/84/09/15/602840915.db2.gz OAZVPDZCQUPZNV-LLVKDONJSA-N -1 0 307.306 -0.220 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1COCCN1C(=O)[O-])N1CCOCC1 ZINC000738912628 602841762 /nfs/dbraw/zinc/84/17/62/602841762.db2.gz CYUJGNXRCSYOAT-WDEREUQCSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@H](CNC(=O)[C@H]1COCCN1C(=O)[O-])N1CCOCC1 ZINC000738912625 602841860 /nfs/dbraw/zinc/84/18/60/602841860.db2.gz CYUJGNXRCSYOAT-GHMZBOCLSA-N -1 0 301.343 -0.798 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000738798080 602843483 /nfs/dbraw/zinc/84/34/83/602843483.db2.gz RYJOAZQJQAAEAQ-RKDXNWHRSA-N -1 0 307.372 -0.571 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)NCCN1C(=O)CNC1=O ZINC000739286735 602850937 /nfs/dbraw/zinc/85/09/37/602850937.db2.gz GHMCMVNLDTXRLW-LBPRGKRZSA-N -1 0 300.315 -0.519 20 0 DBADRM CC(C)(CNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C(N)=O ZINC000738746762 602851163 /nfs/dbraw/zinc/85/11/63/602851163.db2.gz LNTFARPXOCJSMI-VIFPVBQESA-N -1 0 301.343 -0.227 20 0 DBADRM CC(C)[C@H](CNC(=O)N(C)CCS(C)(=O)=O)NC(=O)[O-] ZINC000738778935 602853191 /nfs/dbraw/zinc/85/31/91/602853191.db2.gz UYMCUAWYBOVRDX-VIFPVBQESA-N -1 0 309.388 -0.035 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CCN(C(=O)[O-])CC2)C1=O ZINC000737753586 602858900 /nfs/dbraw/zinc/85/89/00/602858900.db2.gz NXGUECOXFUONIN-LBPRGKRZSA-N -1 0 300.315 -0.804 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000739514030 602860181 /nfs/dbraw/zinc/86/01/81/602860181.db2.gz FAWFXMDRGMWMLU-JGVFFNPUSA-N -1 0 310.397 -0.021 20 0 DBADRM CC(C)N1C(=O)C(=O)N(CN2CCN(C(=O)[O-])C[C@@H]2C)C1=O ZINC000739153674 602862799 /nfs/dbraw/zinc/86/27/99/602862799.db2.gz IFIPWJGMTUKHHL-VIFPVBQESA-N -1 0 312.326 -0.173 20 0 DBADRM NC(=O)CNC(=O)c1ccc(OC(=O)CCNC(=O)[O-])cc1 ZINC000738439914 602866871 /nfs/dbraw/zinc/86/68/71/602866871.db2.gz GDBMRDOEKUSJQD-UHFFFAOYSA-N -1 0 309.278 -0.535 20 0 DBADRM O=C([O-])N1CCCC[C@H](NS(=O)(=O)N2CCOCC2)C1 ZINC000740518108 602868069 /nfs/dbraw/zinc/86/80/69/602868069.db2.gz JITVNSGDOCXTIN-JTQLQIEISA-N -1 0 307.372 -0.315 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)Cc1nnc2n1CCC2 ZINC000739684820 602871470 /nfs/dbraw/zinc/87/14/70/602871470.db2.gz QCGDFRYQNORYLV-UHFFFAOYSA-N -1 0 308.386 -0.048 20 0 DBADRM CCc1nnc2n1C[C@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])CC2 ZINC000739559711 602877494 /nfs/dbraw/zinc/87/74/94/602877494.db2.gz PEQGFTOXRSYLPR-ZJUUUORDSA-N -1 0 323.353 -0.350 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCN(c2cccnn2)CC1 ZINC000740349625 602880770 /nfs/dbraw/zinc/88/07/70/602880770.db2.gz OJOAUDCXUKPJNL-NSHDSACASA-N -1 0 321.337 -0.496 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCC(=O)Nc1cccnc1 ZINC000740380787 602880838 /nfs/dbraw/zinc/88/08/38/602880838.db2.gz ZJGJWSLTURGNBJ-SNVBAGLBSA-N -1 0 308.294 -0.485 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000739775406 602881354 /nfs/dbraw/zinc/88/13/54/602881354.db2.gz IPRQCWWOFZPBCE-VHSXEESVSA-N -1 0 315.326 -0.288 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCC(=O)Nc1ccccn1 ZINC000740356648 602881843 /nfs/dbraw/zinc/88/18/43/602881843.db2.gz MGQYYHIHHCFJJB-JTQLQIEISA-N -1 0 322.321 -0.095 20 0 DBADRM CN(CCN1CCOCC1)C(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739687717 602883374 /nfs/dbraw/zinc/88/33/74/602883374.db2.gz PGUVXRXMQXYWSV-NSHDSACASA-N -1 0 301.343 -0.844 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1COCCN1C(=O)[O-])CC2 ZINC000740233360 602883399 /nfs/dbraw/zinc/88/33/99/602883399.db2.gz RLDNQRHMINTFJK-NXEZZACHSA-N -1 0 309.326 -0.604 20 0 DBADRM CC1(C)C(=O)NCCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739066705 602885271 /nfs/dbraw/zinc/88/52/71/602885271.db2.gz NDFWKCMWTUTXHF-JTQLQIEISA-N -1 0 313.354 -0.118 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739762482 602886662 /nfs/dbraw/zinc/88/66/62/602886662.db2.gz RCOIUCSWSGKJOU-MRVPVSSYSA-N -1 0 302.283 -0.791 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739187614 602888311 /nfs/dbraw/zinc/88/83/11/602888311.db2.gz HLTCMVTZOWQSRM-WDEREUQCSA-N -1 0 301.343 -0.798 20 0 DBADRM Cc1nnc(CNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])n1C ZINC000740257640 602892485 /nfs/dbraw/zinc/89/24/85/602892485.db2.gz IIALNEJSODQNNU-JTQLQIEISA-N -1 0 311.342 -0.101 20 0 DBADRM CC(C)(CCC(=O)OCC(=O)N1CCNC1=O)NC(=O)[O-] ZINC000738746438 602895402 /nfs/dbraw/zinc/89/54/02/602895402.db2.gz SZHLTKTWHOMTNY-UHFFFAOYSA-N -1 0 301.299 -0.092 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCCS(=O)(=O)CC1 ZINC000740353612 602900436 /nfs/dbraw/zinc/90/04/36/602900436.db2.gz ZABDFECGOYJTIO-SECBINFHSA-N -1 0 306.340 -0.988 20 0 DBADRM COCCN1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739833830 602904196 /nfs/dbraw/zinc/90/41/96/602904196.db2.gz JZUSKYAAYRNWTK-NSHDSACASA-N -1 0 301.343 -0.844 20 0 DBADRM COCCN1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739833829 602904224 /nfs/dbraw/zinc/90/42/24/602904224.db2.gz JZUSKYAAYRNWTK-LLVKDONJSA-N -1 0 301.343 -0.844 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCOC[C@H]1CCCO1 ZINC000740445161 602909003 /nfs/dbraw/zinc/90/90/03/602909003.db2.gz WBHXCHFYHOYDNQ-GHMZBOCLSA-N -1 0 302.327 -0.323 20 0 DBADRM CCN1CCO[C@H](CNC(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC000739457278 602912986 /nfs/dbraw/zinc/91/29/86/602912986.db2.gz RCWPDUUDBXTRIL-ZJUUUORDSA-N -1 0 303.384 -0.124 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739662627 602917554 /nfs/dbraw/zinc/91/75/54/602917554.db2.gz BQTGTOVDDSTCHC-VHSXEESVSA-N -1 0 320.367 -0.742 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)C1 ZINC000831244699 602919274 /nfs/dbraw/zinc/91/92/74/602919274.db2.gz BXUDITBQPHLIBE-QMMMGPOBSA-N -1 0 317.323 -0.450 20 0 DBADRM C[C@H](CNC(=O)N1CCN(C(=O)[O-])CC1)CN1CCOCC1 ZINC000736596165 602920784 /nfs/dbraw/zinc/92/07/84/602920784.db2.gz SMICEWCXBUYVDM-GFCCVEGCSA-N -1 0 314.386 -0.040 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000738855450 602921971 /nfs/dbraw/zinc/92/19/71/602921971.db2.gz NFWQMNSXCCDWJN-NSHDSACASA-N -1 0 314.386 -0.347 20 0 DBADRM C[C@@H](CO)[C@H](C)NC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000738943265 602933164 /nfs/dbraw/zinc/93/31/64/602933164.db2.gz WSUJVZHACFTBSF-RYUDHWBXSA-N -1 0 316.402 -0.012 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)COCCNC(=O)[O-])C[C@H](C)O1 ZINC000739138940 602933222 /nfs/dbraw/zinc/93/32/22/602933222.db2.gz YSIIURAIJWDHFD-AOOOYVTPSA-N -1 0 318.326 -0.550 20 0 DBADRM C[C@@H](CO)[C@@H](C)NC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000738943262 602933268 /nfs/dbraw/zinc/93/32/68/602933268.db2.gz WSUJVZHACFTBSF-NWDGAFQWSA-N -1 0 316.402 -0.012 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)NCCN2C(=O)CCC2=O)o1 ZINC000832697406 602935586 /nfs/dbraw/zinc/93/55/86/602935586.db2.gz BGSUIZYAYNODAN-UHFFFAOYSA-N -1 0 309.278 -0.074 20 0 DBADRM C[C@@H]1CN(C(=O)CCSc2nnnn2C)CCN1C(=O)[O-] ZINC000739128549 602949018 /nfs/dbraw/zinc/94/90/18/602949018.db2.gz WJWMIHNXIPWDFH-MRVPVSSYSA-N -1 0 314.371 -0.097 20 0 DBADRM CC(C)N(CCC(=O)N1CC[C@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC000738838132 602962294 /nfs/dbraw/zinc/96/22/94/602962294.db2.gz JCOZOGFONBPFFF-JTQLQIEISA-N -1 0 321.399 -0.085 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000739991173 602963411 /nfs/dbraw/zinc/96/34/11/602963411.db2.gz KWVHKHNZWYCFNX-RKDXNWHRSA-N -1 0 305.356 -0.721 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000739227168 602963589 /nfs/dbraw/zinc/96/35/89/602963589.db2.gz QFKDYUKVXTYZDO-IVZWLZJFSA-N -1 0 321.399 -0.181 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C2(NC(=O)[O-])CCCC2)C1 ZINC000739991866 602963672 /nfs/dbraw/zinc/96/36/72/602963672.db2.gz OISXXFYHTIIMNQ-VIFPVBQESA-N -1 0 319.383 -0.283 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)C[C@H](C)NC(=O)[O-])CC2)n1C ZINC000830887999 602976124 /nfs/dbraw/zinc/97/61/24/602976124.db2.gz ZEODXSXNCAYDOM-JTQLQIEISA-N -1 0 324.385 -0.186 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC2)n1C ZINC000830888000 602976212 /nfs/dbraw/zinc/97/62/12/602976212.db2.gz ZEODXSXNCAYDOM-SNVBAGLBSA-N -1 0 324.385 -0.186 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])C1=O ZINC000739723699 602977259 /nfs/dbraw/zinc/97/72/59/602977259.db2.gz NMSPBIOAEVMCJO-DTWKUNHWSA-N -1 0 312.326 -0.567 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000739515117 602980188 /nfs/dbraw/zinc/98/01/88/602980188.db2.gz LRBHIUIIMXAWJP-RKDXNWHRSA-N -1 0 307.372 -0.522 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC000740625191 602981077 /nfs/dbraw/zinc/98/10/77/602981077.db2.gz VMHCINVNJFKMMV-VHSXEESVSA-N -1 0 324.337 -0.521 20 0 DBADRM CC(=O)NCc1ccc(NC(=O)C(=O)NCCNC(=O)[O-])cc1 ZINC000738548898 602981318 /nfs/dbraw/zinc/98/13/18/602981318.db2.gz JQWINKPKVACVQM-UHFFFAOYSA-N -1 0 322.321 -0.355 20 0 DBADRM CCC(CC)(CNC(=O)[O-])NC(=O)CN1CCC(=O)NC1=O ZINC000739250830 602983021 /nfs/dbraw/zinc/98/30/21/602983021.db2.gz VTYOJOCPWADTMO-UHFFFAOYSA-N -1 0 314.342 -0.129 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)CN1CCC(=O)NC1=O ZINC000738807708 602983143 /nfs/dbraw/zinc/98/31/43/602983143.db2.gz RWPCXCLDDGEDEJ-VIFPVBQESA-N -1 0 314.342 -0.273 20 0 DBADRM COCCN(CC(=O)N1CCN(CCOC)[C@H](C)C1)C(=O)[O-] ZINC000739818280 602986650 /nfs/dbraw/zinc/98/66/50/602986650.db2.gz WSWOWUSBYDUZLG-GFCCVEGCSA-N -1 0 317.386 -0.208 20 0 DBADRM CCN(CCC(=O)OC)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739414787 602994503 /nfs/dbraw/zinc/99/45/03/602994503.db2.gz KMDCHOKDUFCOBW-UHFFFAOYSA-N -1 0 315.326 -0.780 20 0 DBADRM CCO[C@@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739490584 602996633 /nfs/dbraw/zinc/99/66/33/602996633.db2.gz OFEBYCOSDOKQGE-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)O[C@@H]1CC(=O)N(CC(N)=O)C1 ZINC000739327321 602998721 /nfs/dbraw/zinc/99/87/21/602998721.db2.gz ZMYZHSUSHXOZTG-SFYZADRCSA-N -1 0 301.299 -0.948 20 0 DBADRM Cn1cc(CCCNC(=O)CN2CCN(C(=O)[O-])CC2=O)cn1 ZINC000740286222 602999924 /nfs/dbraw/zinc/99/99/24/602999924.db2.gz KGPZCALXFVCGQS-UHFFFAOYSA-N -1 0 323.353 -0.709 20 0 DBADRM CN(C)c1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)nc1 ZINC000739615641 603004565 /nfs/dbraw/zinc/00/45/65/603004565.db2.gz AOXBXDSHCDLNNK-UHFFFAOYSA-N -1 0 321.337 -0.092 20 0 DBADRM CC(=O)NCC(=O)NCc1nc([C@H](C)CN(C)C(=O)[O-])no1 ZINC000738551852 603006768 /nfs/dbraw/zinc/00/67/68/603006768.db2.gz QCWHEFYZNSCGNX-SSDOTTSWSA-N -1 0 313.314 -0.465 20 0 DBADRM CCc1cc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)n(C)n1 ZINC000739543190 603007641 /nfs/dbraw/zinc/00/76/41/603007641.db2.gz PVAPIYKZNJZFKC-UHFFFAOYSA-N -1 0 309.326 -0.257 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCCc2cccnc2)C(=O)C1 ZINC000740368860 603015946 /nfs/dbraw/zinc/01/59/46/603015946.db2.gz LRQKVJSHXRVGSD-UHFFFAOYSA-N -1 0 306.322 -0.438 20 0 DBADRM CN(C[C@@H]1CCCCO1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739633473 603019429 /nfs/dbraw/zinc/01/94/29/603019429.db2.gz JDQAKGFVWUGOIW-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM CC(C)(C)OCCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738723414 603020326 /nfs/dbraw/zinc/02/03/26/603020326.db2.gz PXKWEVCISLHEQY-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM NC(=O)C1(CNC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])CCOCC1 ZINC000740326350 603021052 /nfs/dbraw/zinc/02/10/52/603021052.db2.gz VFUZUHOAZUKDAY-NXEZZACHSA-N -1 0 313.354 -0.179 20 0 DBADRM CSc1nc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)n[nH]1 ZINC000740024696 603021262 /nfs/dbraw/zinc/02/12/62/603021262.db2.gz JFIUUBQPCGZCQK-UHFFFAOYSA-N -1 0 314.327 -0.713 20 0 DBADRM Cc1nccn1CCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740241182 603021575 /nfs/dbraw/zinc/02/15/75/603021575.db2.gz YAUYAXHCHPGLBM-UHFFFAOYSA-N -1 0 309.326 -0.870 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000739806397 603024780 /nfs/dbraw/zinc/02/47/80/603024780.db2.gz SIAZRSRLXHGHDO-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM COC[C@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739813678 603029054 /nfs/dbraw/zinc/02/90/54/603029054.db2.gz VILBTNJLNCFPND-NSHDSACASA-N -1 0 313.354 -0.306 20 0 DBADRM CC(C)(C)C[C@H](O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738681560 603030011 /nfs/dbraw/zinc/03/00/11/603030011.db2.gz BNHUWSKOZPCQKW-JTQLQIEISA-N -1 0 315.370 -0.278 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)NCCN1C(=O)CCC1=O ZINC000740009942 603030304 /nfs/dbraw/zinc/03/03/04/603030304.db2.gz DYVQOYWQNMPMKL-QMMMGPOBSA-N -1 0 317.367 -0.359 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCCN1C(=O)CCC1=O ZINC000740438491 603030425 /nfs/dbraw/zinc/03/04/25/603030425.db2.gz IIGLZUOFRZQXQT-SSDOTTSWSA-N -1 0 301.324 -0.696 20 0 DBADRM Cc1cnn(CCNC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000740201776 603031234 /nfs/dbraw/zinc/03/12/34/603031234.db2.gz ZJTFWUCOKCIRDP-UHFFFAOYSA-N -1 0 309.326 -0.870 20 0 DBADRM CSC[C@@](C)(O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740001693 603032057 /nfs/dbraw/zinc/03/20/57/603032057.db2.gz YURJTJLGGVUZLF-LBPRGKRZSA-N -1 0 319.383 -0.961 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NC[C@H]2CCCC[C@H]2O)C(=O)C1 ZINC000740370328 603032818 /nfs/dbraw/zinc/03/28/18/603032818.db2.gz TXKYFJSQZMVVAV-GHMZBOCLSA-N -1 0 313.354 -0.524 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)[O-])CCO1 ZINC000739471843 603033419 /nfs/dbraw/zinc/03/34/19/603033419.db2.gz FKVRWBFAMDIJKA-BDAKNGLRSA-N -1 0 318.351 -0.170 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)C1CCS(=O)(=O)CC1)C1CC1 ZINC000740601779 603034046 /nfs/dbraw/zinc/03/40/46/603034046.db2.gz JBWZALVZGLIDIC-SNVBAGLBSA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NCCN1CCCS1(=O)=O ZINC000740571090 603034181 /nfs/dbraw/zinc/03/41/81/603034181.db2.gz OZYLKQUOJLXWHF-VHSXEESVSA-N -1 0 319.383 -0.426 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000739992378 603039731 /nfs/dbraw/zinc/03/97/31/603039731.db2.gz QTRNYSFHFXBNJL-ZJUUUORDSA-N -1 0 319.383 -0.427 20 0 DBADRM CC(C)(CC(=O)N1CCCN(CC(N)=O)CC1)NC(=O)[O-] ZINC000738732248 603041034 /nfs/dbraw/zinc/04/10/34/603041034.db2.gz QQLGHQPVHHRLPP-UHFFFAOYSA-N -1 0 300.359 -0.558 20 0 DBADRM CC(C)(CNC(=O)CCNC(=O)[O-])N1CCS(=O)CC1 ZINC000736320204 603054430 /nfs/dbraw/zinc/05/44/30/603054430.db2.gz LNHLBPCHHAXHFU-UHFFFAOYSA-N -1 0 305.400 -0.397 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000740334219 603041754 /nfs/dbraw/zinc/04/17/54/603041754.db2.gz LORIXZGMNLHCFD-MNOVXSKESA-N -1 0 312.370 -0.558 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)NCCCN(C)C(=O)[O-])CCO1 ZINC000738548780 603044037 /nfs/dbraw/zinc/04/40/37/603044037.db2.gz BPZMQIBNZIMZMP-LLVKDONJSA-N -1 0 316.358 -0.467 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)Cn1nc2ccccn2c1=O)C1CC1 ZINC000740602871 603044248 /nfs/dbraw/zinc/04/42/48/603044248.db2.gz GMCLVCRUQPLOQB-SNVBAGLBSA-N -1 0 319.321 -0.342 20 0 DBADRM O=C([O-])NCCCNC(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000740650625 603046630 /nfs/dbraw/zinc/04/66/30/603046630.db2.gz VPSWXQPYMRXJID-JTQLQIEISA-N -1 0 312.330 -0.654 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@H](CNC(=O)[O-])C2CC2)CC1=O ZINC000739827924 603046809 /nfs/dbraw/zinc/04/68/09/603046809.db2.gz ATIQNRXQCSJJFD-WDEREUQCSA-N -1 0 313.354 -0.356 20 0 DBADRM CCN(CCNC(=O)N1CCO[C@@H](CNC(C)=O)C1)C(=O)[O-] ZINC000739431425 603047283 /nfs/dbraw/zinc/04/72/83/603047283.db2.gz YRCRANXXUXGNMW-NSHDSACASA-N -1 0 316.358 -0.467 20 0 DBADRM CCN(CCNC(=O)N1CCO[C@H](CNC(C)=O)C1)C(=O)[O-] ZINC000739431420 603047538 /nfs/dbraw/zinc/04/75/38/603047538.db2.gz YRCRANXXUXGNMW-LLVKDONJSA-N -1 0 316.358 -0.467 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739464315 603047642 /nfs/dbraw/zinc/04/76/42/603047642.db2.gz DWGYNLWKPYPBNB-BDAKNGLRSA-N -1 0 307.372 -0.522 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000739814537 603049751 /nfs/dbraw/zinc/04/97/51/603049751.db2.gz SRPXVJMPMAIQGR-GHMZBOCLSA-N -1 0 315.370 -0.014 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C1CC1 ZINC000740604519 603053336 /nfs/dbraw/zinc/05/33/36/603053336.db2.gz ZRZGMIBGCNWEBJ-SECBINFHSA-N -1 0 310.310 -0.911 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CCN(C(=O)[O-])[C@@H](C)C2)n1 ZINC000739781215 603053965 /nfs/dbraw/zinc/05/39/65/603053965.db2.gz SQHGCJHRXJBXCN-VIFPVBQESA-N -1 0 310.310 -0.329 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])n[nH]1 ZINC000739767918 603053986 /nfs/dbraw/zinc/05/39/86/603053986.db2.gz BWPICGIBBVNBBM-RQJHMYQMSA-N -1 0 311.298 -0.105 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000740005140 603056313 /nfs/dbraw/zinc/05/63/13/603056313.db2.gz KUNQYNDWSMDNIR-MQJDWESPSA-N -1 0 317.411 -0.349 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000740578198 603056461 /nfs/dbraw/zinc/05/64/61/603056461.db2.gz SPDTYBPWSQNHSA-GRYCIOLGSA-N -1 0 323.353 -0.058 20 0 DBADRM O=C([O-])NCCCC(=O)N1CCN(CCn2cncn2)CC1 ZINC000739964384 603056500 /nfs/dbraw/zinc/05/65/00/603056500.db2.gz PGAAFMATBOQMOQ-UHFFFAOYSA-N -1 0 310.358 -0.530 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000740604031 603058351 /nfs/dbraw/zinc/05/83/51/603058351.db2.gz XOOSZCZBHGNQRW-WPRPVWTQSA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCC(=O)OCc1ccccc1 ZINC000740379969 603061865 /nfs/dbraw/zinc/06/18/65/603061865.db2.gz UQZGQGSNWPBAQM-RYUDHWBXSA-N -1 0 322.317 -0.041 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)OCc1ccccc1 ZINC000740379966 603062061 /nfs/dbraw/zinc/06/20/61/603062061.db2.gz UQZGQGSNWPBAQM-NWDGAFQWSA-N -1 0 322.317 -0.041 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739763743 603063007 /nfs/dbraw/zinc/06/30/07/603063007.db2.gz RWQNFYSJQAALHL-SECBINFHSA-N -1 0 308.356 -0.141 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)S(=O)(=O)[C@H]1CCOC1 ZINC000739683375 603063692 /nfs/dbraw/zinc/06/36/92/603063692.db2.gz ATTDPLZGXABZAL-NSHDSACASA-N -1 0 321.399 -0.668 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)[C@@H](C)NC(=O)[O-])C2=O)n(C)n1 ZINC000830072445 603071641 /nfs/dbraw/zinc/07/16/41/603071641.db2.gz FGZCOHIAUOMLSI-RKDXNWHRSA-N -1 0 309.326 -0.394 20 0 DBADRM CN(Cc1cccc(C(N)=O)c1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739717466 603071725 /nfs/dbraw/zinc/07/17/25/603071725.db2.gz XFKWLAWKEZTYRB-NEPJUHHUSA-N -1 0 321.333 -0.143 20 0 DBADRM CC(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000738511585 603073774 /nfs/dbraw/zinc/07/37/74/603073774.db2.gz NSRGTJAGCDWQNI-NEPJUHHUSA-N -1 0 313.354 -0.431 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CCC[C@H](CNC(=O)[O-])C2)n1 ZINC000739781384 603080646 /nfs/dbraw/zinc/08/06/46/603080646.db2.gz VEIJBPOJQQQNRR-SNVBAGLBSA-N -1 0 324.337 -0.033 20 0 DBADRM CCN(CC)S(=O)(=O)N1CCN(CCNC(=O)[O-])CC1 ZINC000739412701 603081865 /nfs/dbraw/zinc/08/18/65/603081865.db2.gz WTBGQKBDEKVFPA-UHFFFAOYSA-N -1 0 308.404 -0.542 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000738985660 603082814 /nfs/dbraw/zinc/08/28/14/603082814.db2.gz JYNPRSOCXMTJSO-HTQZYQBOSA-N -1 0 309.326 -0.129 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CCN(C(=O)[O-])CC1 ZINC000737386569 603083298 /nfs/dbraw/zinc/08/32/98/603083298.db2.gz KCYVOWLMOYEFTF-UHFFFAOYSA-N -1 0 307.372 -0.362 20 0 DBADRM COCCOC[C@@H]1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000829001737 603083684 /nfs/dbraw/zinc/08/36/84/603083684.db2.gz DRMIVEPFWPDHII-NEPJUHHUSA-N -1 0 316.354 -0.123 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000739517496 603084757 /nfs/dbraw/zinc/08/47/57/603084757.db2.gz XNGUNIHOYSRQCA-VIFPVBQESA-N -1 0 322.387 -0.729 20 0 DBADRM COCCN(CC(=O)N1CCN(C(=O)C(C)C)CC1)C(=O)[O-] ZINC000739818584 603087156 /nfs/dbraw/zinc/08/71/56/603087156.db2.gz XMWJCFNBSGJKLX-UHFFFAOYSA-N -1 0 315.370 -0.060 20 0 DBADRM COCCN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)C(=O)[O-] ZINC000739819965 603087690 /nfs/dbraw/zinc/08/76/90/603087690.db2.gz UXGBEXSZXVIGCI-NSHDSACASA-N -1 0 308.356 -0.694 20 0 DBADRM CN1CCO[C@H](C(=O)NCCCN2CCN(C(=O)[O-])CC2)C1 ZINC000739735628 603089313 /nfs/dbraw/zinc/08/93/13/603089313.db2.gz AOVKLHQVSKRXBM-LBPRGKRZSA-N -1 0 314.386 -0.881 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NC1CCC2(CC1)OCCO2 ZINC000740393993 603089478 /nfs/dbraw/zinc/08/94/78/603089478.db2.gz ZUKSTHSJUNBEEL-GHMZBOCLSA-N -1 0 314.338 -0.099 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCC(=O)NC1CCCCC1 ZINC000740376614 603090579 /nfs/dbraw/zinc/09/05/79/603090579.db2.gz HJHFBQVMULXXGI-GHMZBOCLSA-N -1 0 313.354 -0.335 20 0 DBADRM CNc1cc(N2CCC[C@@H]2CNC(=O)CNC(=O)[O-])ncn1 ZINC000285577672 603091913 /nfs/dbraw/zinc/09/19/13/603091913.db2.gz GZPIZLIRSCZUBH-SECBINFHSA-N -1 0 308.342 -0.129 20 0 DBADRM COCCN(CC(=O)N1CCC(CNC(C)=O)CC1)C(=O)[O-] ZINC000739815629 603094812 /nfs/dbraw/zinc/09/48/12/603094812.db2.gz GYJSMFQEDMGIKC-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM Cc1cc(CC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)no1 ZINC000740078645 603095222 /nfs/dbraw/zinc/09/52/22/603095222.db2.gz FNSQCKIYQMWVDB-UHFFFAOYSA-N -1 0 310.310 -0.536 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000739188415 603098010 /nfs/dbraw/zinc/09/80/10/603098010.db2.gz KDGQLUOWXUHDQO-ZJUUUORDSA-N -1 0 319.383 -0.043 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NC1(CNC(=O)[O-])CCCC1 ZINC000739038684 603098154 /nfs/dbraw/zinc/09/81/54/603098154.db2.gz WNTVXKMPNRWUEL-QMMMGPOBSA-N -1 0 307.372 -0.379 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)NCCN(C(=O)[O-])C1CC1 ZINC000739186991 603098362 /nfs/dbraw/zinc/09/83/62/603098362.db2.gz GNPKFZZQIZURDD-VIFPVBQESA-N -1 0 319.383 -0.043 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739514199 603098626 /nfs/dbraw/zinc/09/86/26/603098626.db2.gz FYYXUUPEPFFIGT-CIUDSAMLSA-N -1 0 308.356 -0.961 20 0 DBADRM COCCN(CC(=O)NCC1CCN(C(C)=O)CC1)C(=O)[O-] ZINC000739819433 603099867 /nfs/dbraw/zinc/09/98/67/603099867.db2.gz QTVFGMGXWAXKDQ-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCCc2ccc(O)cc2)C(=O)C1 ZINC000740369483 603102251 /nfs/dbraw/zinc/10/22/51/603102251.db2.gz PTOWDYWBKXSGHW-UHFFFAOYSA-N -1 0 321.333 -0.127 20 0 DBADRM CN(CCCC(=O)Nc1nc(CS(C)(=O)=O)no1)C(=O)[O-] ZINC000739669112 603104200 /nfs/dbraw/zinc/10/42/00/603104200.db2.gz ULSPHFKNVLRQJR-UHFFFAOYSA-N -1 0 320.327 -0.057 20 0 DBADRM O=C([O-])N1CCN(CC(=O)Nc2ccc(CCO)cc2)C(=O)C1 ZINC000740370039 603105411 /nfs/dbraw/zinc/10/54/11/603105411.db2.gz ZRFCHFQUXGTPDI-UHFFFAOYSA-N -1 0 321.333 -0.018 20 0 DBADRM CCNC(=O)N1CCN(C(=O)CN(CCOC)C(=O)[O-])CC1 ZINC000739465988 603105572 /nfs/dbraw/zinc/10/55/72/603105572.db2.gz ZHMFQLODFBCILD-UHFFFAOYSA-N -1 0 316.358 -0.514 20 0 DBADRM CC(C)(C)C(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738667322 603105995 /nfs/dbraw/zinc/10/59/95/603105995.db2.gz XRQYXORMCARXHN-UHFFFAOYSA-N -1 0 300.311 -0.033 20 0 DBADRM C[C@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)NC1CC1 ZINC000739040254 603106113 /nfs/dbraw/zinc/10/61/13/603106113.db2.gz BFHBFQPZAHHRMZ-QMMMGPOBSA-N -1 0 313.310 -0.981 20 0 DBADRM Cc1cc(C)n(CCOC(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000740069708 603106596 /nfs/dbraw/zinc/10/65/96/603106596.db2.gz PEPTUSQYPPLYFX-UHFFFAOYSA-N -1 0 324.337 -0.135 20 0 DBADRM CCCCNC(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739334085 603106929 /nfs/dbraw/zinc/10/69/29/603106929.db2.gz XDLWAILKMRGQAA-UHFFFAOYSA-N -1 0 315.326 -0.732 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000739201749 603108450 /nfs/dbraw/zinc/10/84/50/603108450.db2.gz LZCPTMMMAZNKMQ-XHNCKOQMSA-N -1 0 320.367 -0.207 20 0 DBADRM COc1ncc(C(=O)NCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000739984583 603108697 /nfs/dbraw/zinc/10/86/97/603108697.db2.gz SEEDHXYZYRNXLX-UHFFFAOYSA-N -1 0 309.326 -0.489 20 0 DBADRM Cc1nnc([C@H](C)OC(=O)CN2CCN(C(=O)[O-])CC2=O)o1 ZINC000740259059 603111042 /nfs/dbraw/zinc/11/10/42/603111042.db2.gz PGGAPVPSYAUIJZ-ZETCQYMHSA-N -1 0 312.282 -0.196 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000740400419 603114127 /nfs/dbraw/zinc/11/41/27/603114127.db2.gz YEKVUJKMHOJFMQ-HTQZYQBOSA-N -1 0 308.381 -0.267 20 0 DBADRM COCCN(CC(=O)NCCN1CCSCC1)C(=O)[O-] ZINC000739819085 603115234 /nfs/dbraw/zinc/11/52/34/603115234.db2.gz UZEHABSEDAHSGW-UHFFFAOYSA-N -1 0 305.400 -0.222 20 0 DBADRM COCCN(CC(=O)N(C)CCN1CCCC1=O)C(=O)[O-] ZINC000739812263 603115406 /nfs/dbraw/zinc/11/54/06/603115406.db2.gz GNQIBGDXWQOHJR-UHFFFAOYSA-N -1 0 301.343 -0.306 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCN(C(N)=O)C1 ZINC000740009568 603116750 /nfs/dbraw/zinc/11/67/50/603116750.db2.gz AWIZLYBGAOURIJ-YUMQZZPRSA-N -1 0 304.372 -0.355 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000829674283 603117779 /nfs/dbraw/zinc/11/77/79/603117779.db2.gz PFADTNRWZTWLNU-MRVPVSSYSA-N -1 0 314.385 -0.907 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000740611511 603122039 /nfs/dbraw/zinc/12/20/39/603122039.db2.gz KANFXIZTQLGDNT-BDAKNGLRSA-N -1 0 305.356 -0.481 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)OCCCN1C(=O)CNC1=O ZINC000740582348 603125171 /nfs/dbraw/zinc/12/51/71/603125171.db2.gz QZHFVLSNNLFSOA-IUCAKERBSA-N -1 0 313.310 -0.092 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000823778548 603125745 /nfs/dbraw/zinc/12/57/45/603125745.db2.gz DQATUYWTDJGCGU-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000738769793 603127291 /nfs/dbraw/zinc/12/72/91/603127291.db2.gz YRBFXSLFRGPRJA-CYBMUJFWSA-N -1 0 312.326 -0.102 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1C(=O)CN1CCCS1(=O)=O ZINC000832546426 603130786 /nfs/dbraw/zinc/13/07/86/603130786.db2.gz NNOXEONWZLOKBI-SECBINFHSA-N -1 0 305.356 -0.720 20 0 DBADRM CNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000739744630 603134033 /nfs/dbraw/zinc/13/40/33/603134033.db2.gz HCKTWLYJRWXFRR-NEPJUHHUSA-N -1 0 321.333 -0.224 20 0 DBADRM COC[C@@H]1CCN(C(=O)NCCN2CCN(C(=O)[O-])CC2)C1 ZINC000739807641 603145325 /nfs/dbraw/zinc/14/53/25/603145325.db2.gz WVIIQUZPRXWVDH-GFCCVEGCSA-N -1 0 314.386 -0.040 20 0 DBADRM COCCc1noc(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])n1 ZINC000739839040 603146012 /nfs/dbraw/zinc/14/60/12/603146012.db2.gz VZCFUVBGTXVWET-YUMQZZPRSA-N -1 0 315.282 -0.585 20 0 DBADRM Cc1nc(Cc2noc(CN3CCN(C(=O)[O-])CC3=O)n2)no1 ZINC000740220194 603146677 /nfs/dbraw/zinc/14/66/77/603146677.db2.gz GVZFTRXHCSDBFX-UHFFFAOYSA-N -1 0 322.281 -0.326 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)Nc1ccc(O)cc1 ZINC000740375669 603147703 /nfs/dbraw/zinc/14/77/03/603147703.db2.gz FTSWIOQAWCHIIB-QWRGUYRKSA-N -1 0 324.289 -0.013 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCCCN1CCCC1=O ZINC000740719732 603148958 /nfs/dbraw/zinc/14/89/58/603148958.db2.gz IKFABLNGKINCTB-VHSXEESVSA-N -1 0 300.311 -0.345 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000828963822 603152454 /nfs/dbraw/zinc/15/24/54/603152454.db2.gz DMNPGMPQUANPAR-JTQLQIEISA-N -1 0 309.388 -0.116 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NCC1CCC1 ZINC000740374488 603153321 /nfs/dbraw/zinc/15/33/21/603153321.db2.gz AVGWEXMGWQDHTE-UWVGGRQHSA-N -1 0 300.311 -0.441 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC000828218655 603154056 /nfs/dbraw/zinc/15/40/56/603154056.db2.gz RDJLHSMLGZGYAT-QMMMGPOBSA-N -1 0 310.310 -0.300 20 0 DBADRM O=C([O-])N1CC(NC(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000740387300 603157606 /nfs/dbraw/zinc/15/76/06/603157606.db2.gz DQJPGXWXBVFVFG-UHFFFAOYSA-N -1 0 302.290 -0.125 20 0 DBADRM CNS(=O)(=O)CCCOC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739748462 603160800 /nfs/dbraw/zinc/16/08/00/603160800.db2.gz CDKGENJXWYBXII-VIFPVBQESA-N -1 0 308.356 -0.141 20 0 DBADRM C[C@@H]1CCCN(C(=O)COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000739101085 603161237 /nfs/dbraw/zinc/16/12/37/603161237.db2.gz BOSIPGSWENSNGZ-VWYCJHECSA-N -1 0 314.338 -0.099 20 0 DBADRM Cc1cc(NC(=O)COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])no1 ZINC000740083890 603162929 /nfs/dbraw/zinc/16/29/29/603162929.db2.gz HTIWNOVFSNGQCW-SFYZADRCSA-N -1 0 313.266 -0.422 20 0 DBADRM Cn1ccnc(N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c1=O ZINC000831027206 603183406 /nfs/dbraw/zinc/18/34/06/603183406.db2.gz WLCHVVIMMJTCBA-SNVBAGLBSA-N -1 0 323.353 -0.620 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)Cn1nc2ccccn2c1=O ZINC000739677238 603186435 /nfs/dbraw/zinc/18/64/35/603186435.db2.gz FZEJHWRVJHXCRH-UHFFFAOYSA-N -1 0 307.310 -0.388 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC000740342584 603187240 /nfs/dbraw/zinc/18/72/40/603187240.db2.gz PRWYYQSGDWYQSK-SFYZADRCSA-N -1 0 323.396 -0.681 20 0 DBADRM C[C@H]1CN(c2ncccc2S(N)(=O)=O)CCN1C(=O)[O-] ZINC000826088273 603194531 /nfs/dbraw/zinc/19/45/31/603194531.db2.gz WKFKKAIINFFHBZ-QMMMGPOBSA-N -1 0 300.340 -0.083 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000738158499 603197132 /nfs/dbraw/zinc/19/71/32/603197132.db2.gz SGVIJQAMOXDEDA-UWVGGRQHSA-N -1 0 319.383 -0.331 20 0 DBADRM O=C([O-])NCCC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000832599706 603205875 /nfs/dbraw/zinc/20/58/75/603205875.db2.gz YGOJSDYQWXIFDL-MRVPVSSYSA-N -1 0 316.339 -0.161 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)CN(C)C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825794121 603206471 /nfs/dbraw/zinc/20/64/71/603206471.db2.gz GNKDEWIZZYKGQV-PSASIEDQSA-N -1 0 309.326 -0.360 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC000739358321 603206535 /nfs/dbraw/zinc/20/65/35/603206535.db2.gz MMLZRTKAEBOQCX-SNVBAGLBSA-N -1 0 319.321 -0.245 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CSCC(N)=O ZINC000739202725 603210802 /nfs/dbraw/zinc/21/08/02/603210802.db2.gz HMBBKYPZECFWOH-YUMQZZPRSA-N -1 0 319.383 -0.176 20 0 DBADRM C[C@H](CC(=O)NCc1ccc(S(N)(=O)=O)cc1)NC(=O)[O-] ZINC000824665245 603218057 /nfs/dbraw/zinc/21/80/57/603218057.db2.gz STJQCXZHRUWNCO-MRVPVSSYSA-N -1 0 315.351 -0.004 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738127143 603224004 /nfs/dbraw/zinc/22/40/04/603224004.db2.gz OESRCZLVAWWASR-SNVBAGLBSA-N -1 0 322.383 -0.446 20 0 DBADRM O=C([O-])NCCC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000738653784 603232729 /nfs/dbraw/zinc/23/27/29/603232729.db2.gz OAWZUYCCIMYTCU-UHFFFAOYSA-N -1 0 319.325 -0.569 20 0 DBADRM O=C([O-])NCC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000738653372 603232735 /nfs/dbraw/zinc/23/27/35/603232735.db2.gz ZJCLAQDHTPHIMM-UHFFFAOYSA-N -1 0 305.298 -0.960 20 0 DBADRM Cc1nonc1CN1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000740265647 603236450 /nfs/dbraw/zinc/23/64/50/603236450.db2.gz AUGZJWLQBPTABE-JTQLQIEISA-N -1 0 311.342 -0.026 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739994584 603237501 /nfs/dbraw/zinc/23/75/01/603237501.db2.gz JODCHMMIGDPVCO-VHSXEESVSA-N -1 0 321.399 -0.132 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N1CCC[C@@H]1CNC(=O)[O-] ZINC000829687832 603237957 /nfs/dbraw/zinc/23/79/57/603237957.db2.gz NXKGGOKPHDLRHO-MRVPVSSYSA-N -1 0 324.428 -0.858 20 0 DBADRM C[C@@H](CC(=O)N1CCN(CC(=O)N(C)C)CC1)NC(=O)[O-] ZINC000824593838 603240138 /nfs/dbraw/zinc/24/01/38/603240138.db2.gz ZVVDYQCWSWSZON-JTQLQIEISA-N -1 0 300.359 -0.735 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739760950 603240816 /nfs/dbraw/zinc/24/08/16/603240816.db2.gz ICOSBTFACLVYEW-MRVPVSSYSA-N -1 0 302.283 -0.839 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000737608023 603243443 /nfs/dbraw/zinc/24/34/43/603243443.db2.gz MBWIAVCHZQQPBP-SSDOTTSWSA-N -1 0 320.327 -0.155 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000828095982 603247434 /nfs/dbraw/zinc/24/74/34/603247434.db2.gz QVFDVWFLQVZTCE-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000739413518 603250882 /nfs/dbraw/zinc/25/08/82/603250882.db2.gz CNVKMBKFOJSGGP-NXEZZACHSA-N -1 0 319.383 -0.137 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000738153112 603255196 /nfs/dbraw/zinc/25/51/96/603255196.db2.gz KNUHAGUQNPTNOL-VIFPVBQESA-N -1 0 307.372 -0.137 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000737222600 603258554 /nfs/dbraw/zinc/25/85/54/603258554.db2.gz DUEZHGRVMRARMY-VIFPVBQESA-N -1 0 322.387 -0.633 20 0 DBADRM O=C(CN1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1)NC1CC1 ZINC000740366784 603267721 /nfs/dbraw/zinc/26/77/21/603267721.db2.gz AAFVAJCHSZXFLC-NSHDSACASA-N -1 0 324.381 -0.591 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)OC ZINC000739760394 603270243 /nfs/dbraw/zinc/27/02/43/603270243.db2.gz KVWDHQUZIAGUIR-HTQZYQBOSA-N -1 0 302.283 -0.793 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000739992944 603277795 /nfs/dbraw/zinc/27/77/95/603277795.db2.gz UUASBCNFTDYAMI-VHSXEESVSA-N -1 0 319.383 -0.474 20 0 DBADRM CC[C@@H](OC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)C(N)=O ZINC000739279452 603279378 /nfs/dbraw/zinc/27/93/78/603279378.db2.gz QTQHLZNVQMKSRD-SECBINFHSA-N -1 0 301.343 -0.132 20 0 DBADRM Cn1nnnc1COC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000740305745 603280263 /nfs/dbraw/zinc/28/02/63/603280263.db2.gz XCVOSCLBABJMJQ-UHFFFAOYSA-N -1 0 312.330 -0.673 20 0 DBADRM C[C@H](C(=O)NC(C(N)=O)C(N)=O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823677422 603282281 /nfs/dbraw/zinc/28/22/81/603282281.db2.gz KTSZMODJKNKHCY-CBAPKCEASA-N -1 0 322.321 -0.913 20 0 DBADRM O=C(CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)NCC1CC1 ZINC000740366404 603295778 /nfs/dbraw/zinc/29/57/78/603295778.db2.gz FGRZABBCQLQVLR-UHFFFAOYSA-N -1 0 324.337 -0.423 20 0 DBADRM O=C([O-])N1CCC[C@H](C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000738720803 603298447 /nfs/dbraw/zinc/29/84/47/603298447.db2.gz QSDNRUBRURHHOR-ISVAXAHUSA-N -1 0 310.310 -0.813 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000740619972 603307935 /nfs/dbraw/zinc/30/79/35/603307935.db2.gz KMWYQQNDCWMCBE-GUBZILKMSA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000740619971 603308137 /nfs/dbraw/zinc/30/81/37/603308137.db2.gz KMWYQQNDCWMCBE-AEJSXWLSSA-N -1 0 304.368 -0.026 20 0 DBADRM C[C@@H](CC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)NC(=O)[O-] ZINC000824584072 603308089 /nfs/dbraw/zinc/30/80/89/603308089.db2.gz WRTNKCFYSHQWOY-VHSXEESVSA-N -1 0 321.399 -0.037 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739752110 603309549 /nfs/dbraw/zinc/30/95/49/603309549.db2.gz ZPTQJLSKHJOTLL-SECBINFHSA-N -1 0 319.383 -0.474 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000739751244 603314646 /nfs/dbraw/zinc/31/46/46/603314646.db2.gz SCNYQOICSVCNDU-UWVGGRQHSA-N -1 0 319.383 -0.474 20 0 DBADRM O=C([O-])N1CC[C@H](C(=O)N2CCO[C@H](Cn3cncn3)C2)C1 ZINC000740491732 603317924 /nfs/dbraw/zinc/31/79/24/603317924.db2.gz MOJHXBSOTZTHIE-QWRGUYRKSA-N -1 0 309.326 -0.495 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@@H]1NC(=O)[O-] ZINC000739137444 603320173 /nfs/dbraw/zinc/32/01/73/603320173.db2.gz VTUSDRNAHFSCPB-BDAKNGLRSA-N -1 0 312.326 -0.567 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)O[C@H]2CCN(C(=O)[O-])C2)nn1 ZINC000739595171 603323336 /nfs/dbraw/zinc/32/33/36/603323336.db2.gz BFPOFROHIJKCCI-QMMMGPOBSA-N -1 0 311.298 -0.725 20 0 DBADRM C[C@H](CC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)NC(=O)[O-] ZINC000824582122 603325616 /nfs/dbraw/zinc/32/56/16/603325616.db2.gz NWNJMKOMTYPIPL-RKDXNWHRSA-N -1 0 307.372 -0.427 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)O[C@H]1CCN(C(=O)[O-])C1)c2=O ZINC000740297241 603327973 /nfs/dbraw/zinc/32/79/73/603327973.db2.gz MCTIGCWGKICMHI-QMMMGPOBSA-N -1 0 321.293 -0.575 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC[C@H]1NC(=O)[O-] ZINC000739127743 603333406 /nfs/dbraw/zinc/33/34/06/603333406.db2.gz OJOWPAXSAWDVCB-OPRDCNLKSA-N -1 0 304.368 -0.074 20 0 DBADRM CCc1nc2n(n1)C[C@H](NC(=O)COCCNC(=O)[O-])CC2 ZINC000739556718 603333584 /nfs/dbraw/zinc/33/35/84/603333584.db2.gz GGEPCQISHRMGGJ-SECBINFHSA-N -1 0 311.342 -0.444 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCC(NC(=O)[O-])CC2)S1 ZINC000831241178 603345517 /nfs/dbraw/zinc/34/55/17/603345517.db2.gz UBDIAZPNNFJFKC-SSDOTTSWSA-N -1 0 300.340 -0.199 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[C@H]1NC(=O)[O-] ZINC000739129513 603346531 /nfs/dbraw/zinc/34/65/31/603346531.db2.gz BXXBOSYWBWEFGD-NXEZZACHSA-N -1 0 324.337 -0.948 20 0 DBADRM N=C1NC(=O)C(CC(=O)NC2CCN(C(=O)[O-])CC2)S1 ZINC000831240837 603347379 /nfs/dbraw/zinc/34/73/79/603347379.db2.gz RDRRILMEFXQVCC-ZETCQYMHSA-N -1 0 300.340 -0.199 20 0 DBADRM C[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1NC(=O)[O-] ZINC000739134004 603349136 /nfs/dbraw/zinc/34/91/36/603349136.db2.gz LLSRCOYSXZIZOE-DTWKUNHWSA-N -1 0 312.326 -0.615 20 0 DBADRM C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1NC(=O)[O-] ZINC000739134002 603349292 /nfs/dbraw/zinc/34/92/92/603349292.db2.gz LLSRCOYSXZIZOE-BDAKNGLRSA-N -1 0 312.326 -0.615 20 0 DBADRM C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@H]1NC(=O)[O-] ZINC000739167681 603355741 /nfs/dbraw/zinc/35/57/41/603355741.db2.gz NXVITDPJJGHIQC-IONNQARKSA-N -1 0 310.310 -0.396 20 0 DBADRM CC[C@@H](C)[C@H](O)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739240969 603358239 /nfs/dbraw/zinc/35/82/39/603358239.db2.gz XUJBQPZIKPYFKR-VXGBXAGGSA-N -1 0 316.402 -0.012 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)NCCn2cccn2)CC1 ZINC000740441931 603358758 /nfs/dbraw/zinc/35/87/58/603358758.db2.gz RSBOOMABHWEVGE-UHFFFAOYSA-N -1 0 310.358 -0.522 20 0 DBADRM C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[C@@H]1NC(=O)[O-] ZINC000739127672 603360387 /nfs/dbraw/zinc/36/03/87/603360387.db2.gz SZCYNFILVBKJFJ-ZJUUUORDSA-N -1 0 324.337 -0.569 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CC[C@H]1NC(=O)[O-] ZINC000739132773 603363275 /nfs/dbraw/zinc/36/32/75/603363275.db2.gz ISCDKQDQBOOOQH-RKDXNWHRSA-N -1 0 310.310 -0.547 20 0 DBADRM CN(C)C(=O)CNC(=S)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000739598439 603375510 /nfs/dbraw/zinc/37/55/10/603375510.db2.gz ZZTMAJHXOPTCIU-RKDXNWHRSA-N -1 0 302.400 -0.025 20 0 DBADRM CCN(CC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000739389034 603379517 /nfs/dbraw/zinc/37/95/17/603379517.db2.gz FHCMDXMBJSLQKX-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)COCCNC(=O)[O-])C1 ZINC000739981683 603387246 /nfs/dbraw/zinc/38/72/46/603387246.db2.gz BIEKXAIJDHTOJR-UWVGGRQHSA-N -1 0 322.383 -0.257 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CSCN1C(=O)[O-] ZINC000739662612 603388714 /nfs/dbraw/zinc/38/87/14/603388714.db2.gz BINPPHQBXBDZHD-DTWKUNHWSA-N -1 0 322.408 -0.068 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])N[C@@H]1CCCCNC1=O ZINC000740364214 603393585 /nfs/dbraw/zinc/39/35/85/603393585.db2.gz LGZDJXOMVZRDIK-WDEREUQCSA-N -1 0 313.354 -0.070 20 0 DBADRM CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCCNC(=O)[O-] ZINC000738509388 603401001 /nfs/dbraw/zinc/40/10/01/603401001.db2.gz PFTANGJTGKWGTJ-UHFFFAOYSA-N -1 0 322.321 -0.008 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)n(C)n1 ZINC000740079916 603407847 /nfs/dbraw/zinc/40/78/47/603407847.db2.gz OXMUJPQLBSTUEQ-SECBINFHSA-N -1 0 309.326 -0.217 20 0 DBADRM CN(CCc1cnn(C)c1)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739704479 603408768 /nfs/dbraw/zinc/40/87/68/603408768.db2.gz KMNAXYGCCCHEQO-UHFFFAOYSA-N -1 0 309.370 -0.283 20 0 DBADRM C[C@@H](CC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000824572947 603413702 /nfs/dbraw/zinc/41/37/02/603413702.db2.gz QYXMISJLJGKWIV-VIFPVBQESA-N -1 0 321.399 -0.085 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)C(=O)Nc2ccn(C)n2)CC1 ZINC000737928343 603414676 /nfs/dbraw/zinc/41/46/76/603414676.db2.gz MEMQWSOXJFQVMS-UHFFFAOYSA-N -1 0 309.326 -0.041 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[O-])C[C@@H]2C)n(C)n1 ZINC000740080495 603417038 /nfs/dbraw/zinc/41/70/38/603417038.db2.gz UXFCJYWKVOQFOQ-VIFPVBQESA-N -1 0 309.326 -0.122 20 0 DBADRM CCN(CC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000739391470 603421140 /nfs/dbraw/zinc/42/11/40/603421140.db2.gz WWIQLCWHDZBHOY-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)CN(CC)C(=O)[O-])CC1 ZINC000739463954 603422924 /nfs/dbraw/zinc/42/29/24/603422924.db2.gz VGIFYGIZALIHFA-UHFFFAOYSA-N -1 0 300.359 -0.733 20 0 DBADRM CCN(CC(=O)NCCCN(C)S(=O)(=O)CC)C(=O)[O-] ZINC000739393535 603423423 /nfs/dbraw/zinc/42/34/23/603423423.db2.gz PVBZXZNOEUTSAA-UHFFFAOYSA-N -1 0 309.388 -0.226 20 0 DBADRM NC(=O)Cn1cc(C(=O)N2CCCC[C@@H]2CNC(=O)[O-])nn1 ZINC000831199755 603424070 /nfs/dbraw/zinc/42/40/70/603424070.db2.gz INBODXDWKVXDCE-MRVPVSSYSA-N -1 0 310.314 -0.974 20 0 DBADRM Cn1cc(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000738410937 603424884 /nfs/dbraw/zinc/42/48/84/603424884.db2.gz KAOCXLXCIQBWIX-QMMMGPOBSA-N -1 0 310.310 -0.588 20 0 DBADRM Cn1cc(NC(=O)[C@@H]2CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000738410710 603424948 /nfs/dbraw/zinc/42/49/48/603424948.db2.gz KAOCXLXCIQBWIX-MRVPVSSYSA-N -1 0 310.310 -0.588 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)n1 ZINC000739600981 603434766 /nfs/dbraw/zinc/43/47/66/603434766.db2.gz WHKNWSKHPATOKG-MRVPVSSYSA-N -1 0 310.314 -0.695 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)OCC(=O)N2CCOCC2)C1 ZINC000832297853 603438354 /nfs/dbraw/zinc/43/83/54/603438354.db2.gz QQFFJWNJJXJOMY-NXEZZACHSA-N -1 0 300.311 -0.175 20 0 DBADRM COC(=O)[C@]1(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCOC1 ZINC000828624125 603441446 /nfs/dbraw/zinc/44/14/46/603441446.db2.gz LFYIAFBWQZWBKK-NEPJUHHUSA-N -1 0 304.274 -0.473 20 0 DBADRM O=C(COC(=O)COC1CN(C(=O)[O-])C1)NCc1ccco1 ZINC000831507654 603445431 /nfs/dbraw/zinc/44/54/31/603445431.db2.gz OQWLFQKIJJJWCK-UHFFFAOYSA-N -1 0 312.278 -0.182 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)NCC(C)(C)NC(=O)[O-] ZINC000827475254 603448541 /nfs/dbraw/zinc/44/85/41/603448541.db2.gz HSEJTSJYDCTQEN-UHFFFAOYSA-N -1 0 324.403 -0.339 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)COC2CN(C(=O)[O-])C2)C[C@H]1C ZINC000828638685 603450593 /nfs/dbraw/zinc/45/05/93/603450593.db2.gz BWFXHUPFRHHYPU-PSASIEDQSA-N -1 0 300.311 -0.367 20 0 DBADRM NC(=O)Cn1cc(C(=O)OC[C@H]2CCCCN2C(=O)[O-])nn1 ZINC000831199433 603450815 /nfs/dbraw/zinc/45/08/15/603450815.db2.gz CDDUCWKGMUKLOH-MRVPVSSYSA-N -1 0 311.298 -0.547 20 0 DBADRM O=C([O-])N1CC[C@H](C(=O)N2CCN(CCn3cncn3)CC2)C1 ZINC000831864246 603451308 /nfs/dbraw/zinc/45/13/08/603451308.db2.gz RBWLHCCYGSUBGU-LBPRGKRZSA-N -1 0 322.369 -0.578 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000832263214 603458596 /nfs/dbraw/zinc/45/85/96/603458596.db2.gz QQWCXYKKVAEMLH-KXUCPTDWSA-N -1 0 304.368 -0.026 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000826074126 603461932 /nfs/dbraw/zinc/46/19/32/603461932.db2.gz ICUNGCZGLSKTDV-IWSPIJDZSA-N -1 0 307.372 -0.571 20 0 DBADRM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)CNC(=O)[O-])[C@@H](C)C1 ZINC000826067350 603461945 /nfs/dbraw/zinc/46/19/45/603461945.db2.gz KKSHYZXWRCBHRT-VHSXEESVSA-N -1 0 321.399 -0.181 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CN(C)C(=O)[O-] ZINC000826073952 603461963 /nfs/dbraw/zinc/46/19/63/603461963.db2.gz FFOYZPXVICBKSV-RKDXNWHRSA-N -1 0 307.372 -0.618 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)CCNC(=O)[O-] ZINC000826074308 603462154 /nfs/dbraw/zinc/46/21/54/603462154.db2.gz LDBFBASQTKZFAA-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H]1CN(S(=O)(=O)NCC(C)(C)NC(=O)[O-])C[C@H](C)O1 ZINC000826075633 603470325 /nfs/dbraw/zinc/47/03/25/603470325.db2.gz ZTGATOOHBWLHIF-IUCAKERBSA-N -1 0 309.388 -0.024 20 0 DBADRM CC(C)(CNS(=O)(=O)CCCS(C)(=O)=O)NC(=O)[O-] ZINC000824011404 603471930 /nfs/dbraw/zinc/47/19/30/603471930.db2.gz LAINEGOKYMPIPN-UHFFFAOYSA-N -1 0 316.401 -0.613 20 0 DBADRM CNC(=O)CN1CCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000828542749 603473176 /nfs/dbraw/zinc/47/31/76/603473176.db2.gz NVEYMUFWCYVYFY-NSHDSACASA-N -1 0 312.370 -0.591 20 0 DBADRM Cc1nc([C@H]2CN(C(=O)N[C@H]3CCN(C(=O)[O-])C3)CCO2)n[nH]1 ZINC000830678886 603482587 /nfs/dbraw/zinc/48/25/87/603482587.db2.gz RRAPWAUJZCNRQD-VHSXEESVSA-N -1 0 324.341 -0.052 20 0 DBADRM CN(C(=O)Cn1ccc(=O)[nH]c1=O)C1CCC(NC(=O)[O-])CC1 ZINC000827782033 603483634 /nfs/dbraw/zinc/48/36/34/603483634.db2.gz QIPNVABYCIFWJR-UHFFFAOYSA-N -1 0 324.337 -0.014 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828902482 603490852 /nfs/dbraw/zinc/49/08/52/603490852.db2.gz FONBUIKKRNQZAX-NXEZZACHSA-N -1 0 316.358 -0.469 20 0 DBADRM CC[C@H](CCO)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000826582301 603494560 /nfs/dbraw/zinc/49/45/60/603494560.db2.gz XTMQUURBIIKAKF-GFCCVEGCSA-N -1 0 316.402 -0.010 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)c2nccn3ccnc23)CC1 ZINC000831689055 603496117 /nfs/dbraw/zinc/49/61/17/603496117.db2.gz KKPVNRYRSVTVOJ-UHFFFAOYSA-N -1 0 318.337 -0.245 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCC[C@@H]2CNC(=O)[O-])nn1 ZINC000828804073 603498898 /nfs/dbraw/zinc/49/88/98/603498898.db2.gz IYANFOPOVZFMJW-MRVPVSSYSA-N -1 0 311.298 -0.677 20 0 DBADRM C[C@H](NC(=O)CN(C)[C@H]1CCN(C(=O)[O-])C1)C(=O)N(C)C ZINC000825114280 603499427 /nfs/dbraw/zinc/49/94/27/603499427.db2.gz CDQJOIVMOAYSFL-UWVGGRQHSA-N -1 0 300.359 -0.737 20 0 DBADRM CCNC(=O)CCCC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000827237471 603501328 /nfs/dbraw/zinc/50/13/28/603501328.db2.gz TXPNJPUUDLLQEQ-NSHDSACASA-N -1 0 314.386 -0.297 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000827847344 603503626 /nfs/dbraw/zinc/50/36/26/603503626.db2.gz WGZZLFVSTKECEU-SNVBAGLBSA-N -1 0 319.321 -0.293 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)Cc1cc[nH]n1 ZINC000828095858 603503696 /nfs/dbraw/zinc/50/36/96/603503696.db2.gz PVZJKCDFUKZJJK-UHFFFAOYSA-N -1 0 309.326 -0.767 20 0 DBADRM CN1CCN(C(=O)COc2cccnc2)[C@H](CNC(=O)[O-])C1 ZINC000828499992 603507799 /nfs/dbraw/zinc/50/77/99/603507799.db2.gz CXSIAWWDTVTDRH-LLVKDONJSA-N -1 0 308.338 -0.129 20 0 DBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)CN1CC(=O)NC1=O ZINC000828128564 603509610 /nfs/dbraw/zinc/50/96/10/603509610.db2.gz GLVVBXXAMJETBL-UHFFFAOYSA-N -1 0 300.315 -0.710 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000824020648 603516558 /nfs/dbraw/zinc/51/65/58/603516558.db2.gz TYGCSYLDHULFJL-SNVBAGLBSA-N -1 0 313.354 -0.071 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000830846563 603517106 /nfs/dbraw/zinc/51/71/06/603517106.db2.gz PPULKXFGWXZFBN-LBPRGKRZSA-N -1 0 323.397 -0.010 20 0 DBADRM CN1CCN(C(=O)CCN2CCCC2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828495347 603518716 /nfs/dbraw/zinc/51/87/16/603518716.db2.gz PLBYWXOAKAYZFN-NSHDSACASA-N -1 0 312.370 -0.591 20 0 DBADRM Cn1c(NCC(C)(C)NC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000830978325 603520992 /nfs/dbraw/zinc/52/09/92/603520992.db2.gz DXDMSNNQBAJMGD-UHFFFAOYSA-N -1 0 310.314 -0.169 20 0 DBADRM CN1CCN(C(=O)c2ccc(C(N)=O)cn2)[C@@H](CNC(=O)[O-])C1 ZINC000828513869 603521849 /nfs/dbraw/zinc/52/18/49/603521849.db2.gz RAYAABXOQQAZFP-JTQLQIEISA-N -1 0 321.337 -0.796 20 0 DBADRM C[C@@H](CC(=O)N(C)CC(=O)N1CCN(C)CC1)NC(=O)[O-] ZINC000824553445 603522495 /nfs/dbraw/zinc/52/24/95/603522495.db2.gz ZIOYEEHWLSURCO-JTQLQIEISA-N -1 0 300.359 -0.735 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000826742806 603524566 /nfs/dbraw/zinc/52/45/66/603524566.db2.gz FJAJQFADBVDXHH-IUCAKERBSA-N -1 0 307.372 -0.298 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000831238964 603526916 /nfs/dbraw/zinc/52/69/16/603526916.db2.gz BXPOROFTPAXVNN-BDAKNGLRSA-N -1 0 305.356 -0.734 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000831238973 603527105 /nfs/dbraw/zinc/52/71/05/603527105.db2.gz BXPOROFTPAXVNN-RKDXNWHRSA-N -1 0 305.356 -0.734 20 0 DBADRM CN(CC(=O)NCC(=O)NC(C)(C)C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828103106 603536649 /nfs/dbraw/zinc/53/66/49/603536649.db2.gz ZIFXWWIWQSBGKE-SNVBAGLBSA-N -1 0 314.386 -0.299 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N(C)CC(=O)N1CCN(C)CC1 ZINC000824824462 603538736 /nfs/dbraw/zinc/53/87/36/603538736.db2.gz LWFSSIDVWFHWFK-NSHDSACASA-N -1 0 314.386 -0.535 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)C1 ZINC000827841704 603541202 /nfs/dbraw/zinc/54/12/02/603541202.db2.gz ZXGVUWSYUQAJPI-VIFPVBQESA-N -1 0 321.399 -0.085 20 0 DBADRM COCCCS(=O)(=O)NCCN1CCCN(C(=O)[O-])CC1 ZINC000828964149 603543279 /nfs/dbraw/zinc/54/32/79/603543279.db2.gz MRTWWRXMOXOQJI-UHFFFAOYSA-N -1 0 323.415 -0.372 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)COC2CN(C(=O)[O-])C2)C1=O ZINC000824350154 603546074 /nfs/dbraw/zinc/54/60/74/603546074.db2.gz BYLFHXNKYKXJAR-SECBINFHSA-N -1 0 313.310 -0.983 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000827046737 603555042 /nfs/dbraw/zinc/55/50/42/603555042.db2.gz ZTMSRFVEMCWDAM-SNVBAGLBSA-N -1 0 321.399 -0.131 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC000827829793 603555122 /nfs/dbraw/zinc/55/51/22/603555122.db2.gz MRZNILJDQHNPMN-MRVPVSSYSA-N -1 0 307.372 -0.475 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CC[C@@H](N(C)C(=O)[O-])C1)C(C)C ZINC000828885676 603555835 /nfs/dbraw/zinc/55/58/35/603555835.db2.gz LLHJSQJYUKLGEK-PWSUYJOCSA-N -1 0 315.370 -0.016 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)[C@@H]3COCCN3C(=O)[O-])CCO2)cn1 ZINC000831000272 603559239 /nfs/dbraw/zinc/55/92/39/603559239.db2.gz WXGKFRDOFGKPJX-RYUDHWBXSA-N -1 0 324.337 -0.301 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)C(C)(C)NC(=O)[O-] ZINC000828162347 603561384 /nfs/dbraw/zinc/56/13/84/603561384.db2.gz NRCGLWWBAWQZOO-SNVBAGLBSA-N -1 0 303.359 -0.816 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000827514851 603561479 /nfs/dbraw/zinc/56/14/79/603561479.db2.gz VRPVHUUDDHCDOS-MNOVXSKESA-N -1 0 303.359 -0.816 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCC(c2nnc[nH]2)CC1 ZINC000831283500 603566285 /nfs/dbraw/zinc/56/62/85/603566285.db2.gz NZUAQCDNBYBYLE-SNVBAGLBSA-N -1 0 309.326 -0.111 20 0 DBADRM CNS(=O)(=O)CC(=O)NCC1(NC(=O)[O-])CCCCC1 ZINC000828579189 603566514 /nfs/dbraw/zinc/56/65/14/603566514.db2.gz IXJHRALJKKBSOI-UHFFFAOYSA-N -1 0 307.372 -0.378 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CN1CCC[C@@H]1CNC(=O)[O-] ZINC000823771394 603570695 /nfs/dbraw/zinc/57/06/95/603570695.db2.gz CYSXLOMPQYFPIE-SNVBAGLBSA-N -1 0 314.386 -0.251 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)CC2CN(C(=O)[O-])C2)cn1 ZINC000827967499 603571360 /nfs/dbraw/zinc/57/13/60/603571360.db2.gz YEFOOJLWIVFWNR-UHFFFAOYSA-N -1 0 309.326 -0.090 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C[C@@H](C)NC(=O)[O-] ZINC000828579813 603584041 /nfs/dbraw/zinc/58/40/41/603584041.db2.gz QQZIFRREALBTPQ-BDAKNGLRSA-N -1 0 307.372 -0.427 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H]1CS(=O)(=O)NC ZINC000826742478 603585200 /nfs/dbraw/zinc/58/52/00/603585200.db2.gz AULITYKBQBKJBV-VHSXEESVSA-N -1 0 321.399 -0.037 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827264577 603586499 /nfs/dbraw/zinc/58/64/99/603586499.db2.gz BQXPMMUMQGGKSE-RKDXNWHRSA-N -1 0 307.372 -0.522 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)NS(C)(=O)=O ZINC000823900150 603588069 /nfs/dbraw/zinc/58/80/69/603588069.db2.gz CKCATSJUCZDCTC-DTWKUNHWSA-N -1 0 321.399 -0.133 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)c1=O ZINC000830963452 603592613 /nfs/dbraw/zinc/59/26/13/603592613.db2.gz IOLZVEXGEBXAGT-QMMMGPOBSA-N -1 0 310.310 -0.394 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN(C)[C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000828921191 603594532 /nfs/dbraw/zinc/59/45/32/603594532.db2.gz ZUEJYSNNHIPRBD-ZANVPECISA-N -1 0 314.342 -0.415 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)[O-] ZINC000828573577 603594990 /nfs/dbraw/zinc/59/49/90/603594990.db2.gz UCLFXQUSHKUOBQ-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM CNS(=O)(=O)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000828573106 603595093 /nfs/dbraw/zinc/59/50/93/603595093.db2.gz MUIOVUYYUHQLRP-CBLAIPOGSA-N -1 0 305.356 -0.675 20 0 DBADRM CCCN1C(=O)C(=O)N(CN(C)[C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000826915953 603597265 /nfs/dbraw/zinc/59/72/65/603597265.db2.gz ALXVJKHOPBHVEO-SECBINFHSA-N -1 0 312.326 -0.171 20 0 DBADRM CCNC(=O)CN(C)CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O ZINC000827242244 603600077 /nfs/dbraw/zinc/60/00/77/603600077.db2.gz NCGOSGGVNADLJP-JTQLQIEISA-N -1 0 313.358 -0.888 20 0 DBADRM CN(CCn1cccn1)CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O ZINC000828346239 603602230 /nfs/dbraw/zinc/60/22/30/603602230.db2.gz VPJBQDCNXQVNTF-LBPRGKRZSA-N -1 0 322.369 -0.128 20 0 DBADRM O=C([O-])N1CCN2C(=O)N(CN3CCn4cnnc4C3)C[C@H]2C1 ZINC000832043365 603604864 /nfs/dbraw/zinc/60/48/64/603604864.db2.gz WYMBXKUDOJYRAY-SNVBAGLBSA-N -1 0 321.341 -0.849 20 0 DBADRM CC(=O)N(C)c1cccc(NC(=O)C(=O)NCCNC(=O)[O-])c1 ZINC000823537105 603608978 /nfs/dbraw/zinc/60/89/78/603608978.db2.gz DVQRGLQQUFPUMW-UHFFFAOYSA-N -1 0 322.321 -0.008 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)NCCNS(C)(=O)=O ZINC000824196737 603619204 /nfs/dbraw/zinc/61/92/04/603619204.db2.gz MXRDMYJWDRFQBB-SECBINFHSA-N -1 0 324.403 -0.483 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(=O)[O-])C1 ZINC000740343728 603621197 /nfs/dbraw/zinc/62/11/97/603621197.db2.gz WGCMBKYUDAYSNG-UWVGGRQHSA-N -1 0 319.383 -0.202 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000827480146 603622907 /nfs/dbraw/zinc/62/29/07/603622907.db2.gz GRQNOWQITKOFJG-VIFPVBQESA-N -1 0 322.387 -0.681 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)C1 ZINC000831199634 603623185 /nfs/dbraw/zinc/62/31/85/603623185.db2.gz FYKJFONAFKBRIL-SCZZXKLOSA-N -1 0 313.310 -0.358 20 0 DBADRM C[C@H]1CN(C(=O)NCCN(C)C(=O)[O-])C[C@H]1N1CCOCC1 ZINC000826001291 603630943 /nfs/dbraw/zinc/63/09/43/603630943.db2.gz LUNRHPKRKKZYFU-NWDGAFQWSA-N -1 0 314.386 -0.042 20 0 DBADRM CC(=O)NCCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000823579000 603631915 /nfs/dbraw/zinc/63/19/15/603631915.db2.gz CTPLIVZDLANLGC-UHFFFAOYSA-N -1 0 300.359 -0.687 20 0 DBADRM NC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000831222293 603634920 /nfs/dbraw/zinc/63/49/20/603634920.db2.gz AYFDYTRWPYDQDJ-MNOVXSKESA-N -1 0 307.306 -0.485 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCCNC(=O)[O-] ZINC000826073984 603639799 /nfs/dbraw/zinc/63/97/99/603639799.db2.gz FWITYAYRWLRXOR-RKDXNWHRSA-N -1 0 322.387 -0.777 20 0 DBADRM CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000828102437 603639815 /nfs/dbraw/zinc/63/98/15/603639815.db2.gz KJVVLKULBDQHDL-IUCAKERBSA-N -1 0 301.343 -0.527 20 0 DBADRM CC[C@H]1CC[C@H](C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)O1 ZINC000826660343 603640821 /nfs/dbraw/zinc/64/08/21/603640821.db2.gz KIWGVHNVMFVOHH-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCc1nnc2n1CCCCC2 ZINC000831730831 603644437 /nfs/dbraw/zinc/64/44/37/603644437.db2.gz NUJSQVQPSSSULK-ZJUUUORDSA-N -1 0 323.353 -0.266 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCOCC(F)(F)F ZINC000831694605 603645783 /nfs/dbraw/zinc/64/57/83/603645783.db2.gz WNDKQBXIKOUUKJ-NKWVEPMBSA-N -1 0 300.233 -0.205 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000827241927 603649004 /nfs/dbraw/zinc/64/90/04/603649004.db2.gz DYLXQTRTSIMGIY-UHFFFAOYSA-N -1 0 312.370 -0.733 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCc1cn2c(n1)CCCC2 ZINC000831704149 603651668 /nfs/dbraw/zinc/65/16/68/603651668.db2.gz JHXAUAXVKHUWRR-NWDGAFQWSA-N -1 0 322.365 -0.009 20 0 DBADRM CC(C)(C(=O)NCCCn1cncn1)N1CCN(C(=O)[O-])CC1 ZINC000823743247 603663164 /nfs/dbraw/zinc/66/31/64/603663164.db2.gz BVYZEDHGZRULBQ-UHFFFAOYSA-N -1 0 324.385 -0.141 20 0 DBADRM CCOC(=O)C1(C(=O)NCCN2CCN(C(=O)[O-])CC2)CC1 ZINC000827290809 603672309 /nfs/dbraw/zinc/67/23/09/603672309.db2.gz KDZKWLQMCKGHQQ-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM CCN1CCO[C@@H](C(=O)NCCN2CCN(C(=O)[O-])CC2)C1 ZINC000827227800 603672678 /nfs/dbraw/zinc/67/26/78/603672678.db2.gz JGNCMHPSZBHMIB-GFCCVEGCSA-N -1 0 314.386 -0.881 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(C)(C)CNC(=O)[O-])C1 ZINC000828572774 603673945 /nfs/dbraw/zinc/67/39/45/603673945.db2.gz ILLFHTFIIHUYRD-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)[C@H](O)C2CCOCC2)CC1 ZINC000831689166 603674021 /nfs/dbraw/zinc/67/40/21/603674021.db2.gz LKKNDDLVFCAWGV-GFCCVEGCSA-N -1 0 315.370 -0.814 20 0 DBADRM CN(C(=O)CCN1CCCS1(=O)=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827759335 603677930 /nfs/dbraw/zinc/67/79/30/603677930.db2.gz QZODOEXWIFFRTH-JTQLQIEISA-N -1 0 319.383 -0.377 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CCCN(C(=O)[O-])CC2)n1C ZINC000830887442 603683117 /nfs/dbraw/zinc/68/31/17/603683117.db2.gz KNNHMOFIINCBHQ-UHFFFAOYSA-N -1 0 324.385 -0.232 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000824135715 603683377 /nfs/dbraw/zinc/68/33/77/603683377.db2.gz GQXFFJYIADDLIH-SNVBAGLBSA-N -1 0 314.386 -0.313 20 0 DBADRM C[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1CNC(=O)[O-] ZINC000825920566 603684194 /nfs/dbraw/zinc/68/41/94/603684194.db2.gz ZDWOINKXGUFVSL-WPRPVWTQSA-N -1 0 324.341 -0.728 20 0 DBADRM CCN(CC(=O)N1CCN(C(C)(C)C(N)=O)CC1)C(=O)[O-] ZINC000826997343 603684841 /nfs/dbraw/zinc/68/48/41/603684841.db2.gz YKGVMPUNOUBIDD-UHFFFAOYSA-N -1 0 300.359 -0.606 20 0 DBADRM NC(=O)Cc1csc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])n1 ZINC000831200325 603684745 /nfs/dbraw/zinc/68/47/45/603684745.db2.gz ZTMHXDACOZMHNH-BQBZGAKWSA-N -1 0 314.323 -0.777 20 0 DBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000829669886 603685481 /nfs/dbraw/zinc/68/54/81/603685481.db2.gz RLVKBOYDAXGMCS-IUCAKERBSA-N -1 0 322.408 -0.068 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)CC2(O)CCCC2)CC1 ZINC000831292851 603686365 /nfs/dbraw/zinc/68/63/65/603686365.db2.gz QSIQRDKBHPZXFD-UHFFFAOYSA-N -1 0 313.354 -0.380 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000832550814 603687892 /nfs/dbraw/zinc/68/78/92/603687892.db2.gz FHRTUXHQDCBZNH-NXEZZACHSA-N -1 0 319.383 -0.137 20 0 DBADRM C[C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1CNC(=O)[O-] ZINC000825914024 603692600 /nfs/dbraw/zinc/69/26/00/603692600.db2.gz WOXPCDVUACPJSB-UWVGGRQHSA-N -1 0 324.337 -0.156 20 0 DBADRM COC(=O)N1CCC(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000828705486 603693519 /nfs/dbraw/zinc/69/35/19/603693519.db2.gz VYJRMKOZKKGLGJ-UWVGGRQHSA-N -1 0 315.326 -0.553 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000829668877 603696206 /nfs/dbraw/zinc/69/62/06/603696206.db2.gz HZBKKDGEVPKKJQ-SECBINFHSA-N -1 0 319.383 -0.137 20 0 DBADRM CN(C(=O)Cc1nc2ncccn2n1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827781481 603697018 /nfs/dbraw/zinc/69/70/18/603697018.db2.gz JSLMXFQOXAHGAE-VIFPVBQESA-N -1 0 304.310 -0.123 20 0 DBADRM CNC(=O)[C@H](C)CN(C)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000828526347 603698099 /nfs/dbraw/zinc/69/80/99/603698099.db2.gz MLVKJYAGFWHUFP-GHMZBOCLSA-N -1 0 315.370 -0.014 20 0 DBADRM NC(=O)NCc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000831207875 603701464 /nfs/dbraw/zinc/70/14/64/603701464.db2.gz FYLBQKITESLXET-MNOVXSKESA-N -1 0 322.321 -0.093 20 0 DBADRM CN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827744674 603701830 /nfs/dbraw/zinc/70/18/30/603701830.db2.gz ALOVJBGKAFGMHL-UWVGGRQHSA-N -1 0 319.383 -0.379 20 0 DBADRM CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827744675 603701843 /nfs/dbraw/zinc/70/18/43/603701843.db2.gz ALOVJBGKAFGMHL-VHSXEESVSA-N -1 0 319.383 -0.379 20 0 DBADRM CN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827744676 603702232 /nfs/dbraw/zinc/70/22/32/603702232.db2.gz ALOVJBGKAFGMHL-ZJUUUORDSA-N -1 0 319.383 -0.379 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000831283516 603718861 /nfs/dbraw/zinc/71/88/61/603718861.db2.gz OJNNMANPUUYVPI-SDDRHHMPSA-N -1 0 314.338 -0.228 20 0 DBADRM CN(C(=O)Cn1ncn2nccc2c1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827780786 603718947 /nfs/dbraw/zinc/71/89/47/603718947.db2.gz ATDYXNZKOTYAEG-SECBINFHSA-N -1 0 320.309 -0.898 20 0 DBADRM CN(C(=O)CCSc1nnnn1C)[C@H]1CCN(C(=O)[O-])C1 ZINC000827758662 603723090 /nfs/dbraw/zinc/72/30/90/603723090.db2.gz ALMSFZYKUYQHSH-QMMMGPOBSA-N -1 0 314.371 -0.097 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000828557182 603725274 /nfs/dbraw/zinc/72/52/74/603725274.db2.gz MNGRTDVLMFAKRQ-ZCFIWIBFSA-N -1 0 309.282 -0.639 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000828557498 603725491 /nfs/dbraw/zinc/72/54/91/603725491.db2.gz QJWOHRRKOSNTPA-SSDOTTSWSA-N -1 0 308.294 -0.034 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000827046312 603729852 /nfs/dbraw/zinc/72/98/52/603729852.db2.gz RYKDOYXFPJXSCO-SNVBAGLBSA-N -1 0 321.399 -0.226 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000831274551 603736148 /nfs/dbraw/zinc/73/61/48/603736148.db2.gz XHXFSNTXASMNBF-DCAQKATOSA-N -1 0 314.338 -0.289 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)CCNC(=O)[O-] ZINC000829687889 603737430 /nfs/dbraw/zinc/73/74/30/603737430.db2.gz OVFIBQNWFLSPKT-IUCAKERBSA-N -1 0 307.372 -0.522 20 0 DBADRM COC(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000828731535 603739304 /nfs/dbraw/zinc/73/93/04/603739304.db2.gz WCISHILSDSCPGD-LPEHRKFASA-N -1 0 300.311 -0.489 20 0 DBADRM COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000828633443 603739322 /nfs/dbraw/zinc/73/93/22/603739322.db2.gz WCISHILSDSCPGD-UTLUCORTSA-N -1 0 300.311 -0.489 20 0 DBADRM CC(C)(CNC(=O)COC1CN(C(=O)[O-])C1)N1CCOCC1 ZINC000823911987 603740265 /nfs/dbraw/zinc/74/02/65/603740265.db2.gz DNGXEHYJADAOSU-UHFFFAOYSA-N -1 0 315.370 -0.408 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000831858817 603741052 /nfs/dbraw/zinc/74/10/52/603741052.db2.gz OPYHIOMHROFPOT-UHFFFAOYSA-N -1 0 321.337 -0.496 20 0 DBADRM O=C([O-])NCc1cccc(NC(=O)C(=O)N2CC[C@@H](O)C2)c1 ZINC000832719407 603741306 /nfs/dbraw/zinc/74/13/06/603741306.db2.gz IEZWDFHNPVEVKK-LLVKDONJSA-N -1 0 307.306 -0.014 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC000826111099 603742085 /nfs/dbraw/zinc/74/20/85/603742085.db2.gz ZDISPYOLLIKESF-DTWKUNHWSA-N -1 0 320.367 -0.253 20 0 DBADRM NC(=O)[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)c1ccccc1 ZINC000831167369 603742671 /nfs/dbraw/zinc/74/26/71/603742671.db2.gz JMYFMIYHQYVCNW-LBPRGKRZSA-N -1 0 307.306 -0.292 20 0 DBADRM NC(=O)COc1ccc(NC(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000831194145 603746164 /nfs/dbraw/zinc/74/61/64/603746164.db2.gz HOTBYZONSNJREW-UHFFFAOYSA-N -1 0 323.305 -0.132 20 0 DBADRM O=C([O-])N1CC(OCC(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000831541998 603753549 /nfs/dbraw/zinc/75/35/49/603753549.db2.gz LJROXYIOWITFFZ-UHFFFAOYSA-N -1 0 318.293 -0.020 20 0 DBADRM CNC(=O)CCOC1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000828538546 603754616 /nfs/dbraw/zinc/75/46/16/603754616.db2.gz ZDDQMXSMTFHPRP-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739743905 603757832 /nfs/dbraw/zinc/75/78/32/603757832.db2.gz PDVGBTWCBXZSGR-SECBINFHSA-N -1 0 300.359 -0.689 20 0 DBADRM COC(=O)CSCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000828688065 603757975 /nfs/dbraw/zinc/75/79/75/603757975.db2.gz GHDUSINAXWOBEK-YUMQZZPRSA-N -1 0 306.340 -0.878 20 0 DBADRM CC(C)c1nnc2n1CCN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])C2 ZINC000824511536 603759117 /nfs/dbraw/zinc/75/91/17/603759117.db2.gz WMSZMXLAOCFMQN-UWVGGRQHSA-N -1 0 323.353 -0.143 20 0 DBADRM CCc1nnc2n1CCN(C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])C2 ZINC000827657338 603759681 /nfs/dbraw/zinc/75/96/81/603759681.db2.gz YNWZSOQLQFLHLO-DTWKUNHWSA-N -1 0 309.326 -0.704 20 0 DBADRM C[C@H]1CCCN(S(=O)(=O)N2CCOCC2)[C@H]1CNC(=O)[O-] ZINC000825931787 603759730 /nfs/dbraw/zinc/75/97/30/603759730.db2.gz NAOHHFGIQGSXCW-QWRGUYRKSA-N -1 0 321.399 -0.069 20 0 DBADRM COC(=O)C1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000828625290 603762165 /nfs/dbraw/zinc/76/21/65/603762165.db2.gz YNYVKMPBIZOIEI-LXKPXOPUSA-N -1 0 314.338 -0.052 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000824755776 603763196 /nfs/dbraw/zinc/76/31/96/603763196.db2.gz ZRHKIPXBIJOLRI-MRVPVSSYSA-N -1 0 322.321 -0.227 20 0 DBADRM CC(C)(C)N1C[C@@H](NC(=O)COCCNC(=O)[O-])CC1=O ZINC000823772933 603764609 /nfs/dbraw/zinc/76/46/09/603764609.db2.gz PNALOGSEODTRCX-VIFPVBQESA-N -1 0 301.343 -0.214 20 0 DBADRM COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000828619349 603764954 /nfs/dbraw/zinc/76/49/54/603764954.db2.gz VXNGDAFIEXFICU-QPUJVOFHSA-N -1 0 304.274 -0.521 20 0 DBADRM Cc1nnc(CN(C)CC(=O)NC[C@@H]2CCCN2C(=O)[O-])n1C ZINC000830887554 603770451 /nfs/dbraw/zinc/77/04/51/603770451.db2.gz NNAQCXODPQULMI-NSHDSACASA-N -1 0 324.385 -0.186 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[O-])C1 ZINC000827961085 603772473 /nfs/dbraw/zinc/77/24/73/603772473.db2.gz PSKBUSNEAPKMHL-WDEREUQCSA-N -1 0 313.354 -0.262 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000824210410 603772515 /nfs/dbraw/zinc/77/25/15/603772515.db2.gz FUPMFDUVGZCMTQ-LLVKDONJSA-N -1 0 315.370 -0.016 20 0 DBADRM CC[C@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000826594624 603773976 /nfs/dbraw/zinc/77/39/76/603773976.db2.gz XCNBTFUEYAKMDR-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)cnn1C ZINC000829877569 603774618 /nfs/dbraw/zinc/77/46/18/603774618.db2.gz OMLPVZRUNHIPLX-VIFPVBQESA-N -1 0 309.326 -0.217 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCCN(C(=O)[O-])CC2)cnn1C ZINC000829877834 603774652 /nfs/dbraw/zinc/77/46/52/603774652.db2.gz WFJCXFHUVQLXOC-UHFFFAOYSA-N -1 0 309.326 -0.121 20 0 DBADRM CC(C)(CNC(=O)CC1CN(C(=O)[O-])C1)NS(C)(=O)=O ZINC000823906423 603775009 /nfs/dbraw/zinc/77/50/09/603775009.db2.gz BIZJUUKWQQPOMI-UHFFFAOYSA-N -1 0 307.372 -0.570 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)cnn1C ZINC000829876673 603778082 /nfs/dbraw/zinc/77/80/82/603778082.db2.gz HSDILWUDOKMYMV-SECBINFHSA-N -1 0 309.326 -0.122 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000827264614 603780738 /nfs/dbraw/zinc/78/07/38/603780738.db2.gz CHAHMIWJOCMZLH-SECBINFHSA-N -1 0 322.387 -0.681 20 0 DBADRM CC(C)[C@H](OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)NC(N)=O ZINC000824151590 603785001 /nfs/dbraw/zinc/78/50/01/603785001.db2.gz YUDCDVCTLQKQJE-JVXZTZIISA-N -1 0 319.289 -0.159 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000829674188 603785664 /nfs/dbraw/zinc/78/56/64/603785664.db2.gz OJFRXVJTPSNRJW-VIFPVBQESA-N -1 0 323.371 -0.901 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])CC(F)(F)F ZINC000828320924 603786696 /nfs/dbraw/zinc/78/66/96/603786696.db2.gz AAKCVVUEVCRYNP-YUMQZZPRSA-N -1 0 313.276 -0.290 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000831273697 603786826 /nfs/dbraw/zinc/78/68/26/603786826.db2.gz SMWDRKFAPUHSBO-ZJUUUORDSA-N -1 0 321.337 -0.389 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)OCC(=O)N2CCCC2=O)C1 ZINC000831914848 603788293 /nfs/dbraw/zinc/78/82/93/603788293.db2.gz QYWFDUKXXQSFLK-LBPRGKRZSA-N -1 0 302.258 -0.229 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCCOC[C@@H]1CCCO1 ZINC000831680103 603790972 /nfs/dbraw/zinc/79/09/72/603790972.db2.gz BWAOOMLCPMUZIV-GRYCIOLGSA-N -1 0 316.354 -0.199 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000828600570 603791254 /nfs/dbraw/zinc/79/12/54/603791254.db2.gz KEMAXFUCBBUKLC-BDAKNGLRSA-N -1 0 308.356 -0.285 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)NCCN(C(=O)[O-])C1CC1 ZINC000828607798 603791806 /nfs/dbraw/zinc/79/18/06/603791806.db2.gz MJRAEVJPUGQTCY-QMMMGPOBSA-N -1 0 308.356 -0.143 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000828601157 603793254 /nfs/dbraw/zinc/79/32/54/603793254.db2.gz NCURGSQVBHWVMB-DTWKUNHWSA-N -1 0 308.356 -0.191 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)OCC(=O)NC2CCOCC2)C1 ZINC000831497963 603795488 /nfs/dbraw/zinc/79/54/88/603795488.db2.gz LBDOURZRPDKADZ-CYBMUJFWSA-N -1 0 318.301 -0.083 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)C1CCN(C(=O)[O-])CC1 ZINC000828639322 603807970 /nfs/dbraw/zinc/80/79/70/603807970.db2.gz GGCXPCVCAUGWQP-JTQLQIEISA-N -1 0 300.311 -0.223 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828639910 603807976 /nfs/dbraw/zinc/80/79/76/603807976.db2.gz IQEGKQASIVBXRJ-UFBFGSQYSA-N -1 0 304.274 -0.521 20 0 DBADRM COC(=O)[C@H]1COCCN1C(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000828640127 603808024 /nfs/dbraw/zinc/80/80/24/603808024.db2.gz JSGQXEHTPAOBGB-NXEZZACHSA-N -1 0 300.311 -0.081 20 0 DBADRM COCCN1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C[C@@H]1C ZINC000828990083 603813486 /nfs/dbraw/zinc/81/34/86/603813486.db2.gz DOQIAZQOUWSCLQ-SRVKXCTJSA-N -1 0 315.370 -0.721 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)NCc1nnnn1C1CC1)C1CC1 ZINC000832426992 603817527 /nfs/dbraw/zinc/81/75/27/603817527.db2.gz DQFMUQCMTOHCFQ-SECBINFHSA-N -1 0 309.330 -0.147 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCC[C@H](O)C(F)(F)F ZINC000831659340 603817768 /nfs/dbraw/zinc/81/77/68/603817768.db2.gz GYYFIRZYXDZOBT-QYNIQEEDSA-N -1 0 300.233 -0.471 20 0 DBADRM CC(C)c1nncn1CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000824511116 603818540 /nfs/dbraw/zinc/81/85/40/603818540.db2.gz OEOZXZRALVCFLP-ZJUUUORDSA-N -1 0 311.342 -0.369 20 0 DBADRM CN(CC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)C(=O)[O-] ZINC000828108918 603818629 /nfs/dbraw/zinc/81/86/29/603818629.db2.gz YARQZMVHPHLYBF-SDBXPKJASA-N -1 0 312.326 -0.567 20 0 DBADRM CC(C)c1nncn1CCNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000824511445 603818989 /nfs/dbraw/zinc/81/89/89/603818989.db2.gz SODOOBFFVNXIMX-SNVBAGLBSA-N -1 0 311.342 -0.104 20 0 DBADRM CS(=O)(=O)Cc1noc(NC(=O)CC2CN(C(=O)[O-])C2)n1 ZINC000829682988 603819559 /nfs/dbraw/zinc/81/95/59/603819559.db2.gz KLPKKHAUZZQPDF-UHFFFAOYSA-N -1 0 318.311 -0.447 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000831274473 603821216 /nfs/dbraw/zinc/82/12/16/603821216.db2.gz WQMWVYPWBCXFNN-WOPDTQHZSA-N -1 0 323.353 -0.370 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000831274468 603821409 /nfs/dbraw/zinc/82/14/09/603821409.db2.gz WQMWVYPWBCXFNN-SRVKXCTJSA-N -1 0 323.353 -0.370 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)[O-])CCO1 ZINC000828663544 603823363 /nfs/dbraw/zinc/82/33/63/603823363.db2.gz OHARRLUNIRVTGV-NXEZZACHSA-N -1 0 300.311 -0.081 20 0 DBADRM CNC(=O)CCOC1CCN(C(=O)[C@H](C)NC(=O)[O-])CC1 ZINC000828538499 603823438 /nfs/dbraw/zinc/82/34/38/603823438.db2.gz XMADUOBURUPOJY-VIFPVBQESA-N -1 0 301.343 -0.214 20 0 DBADRM COCCCS(=O)(=O)NCCN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000828963749 603824146 /nfs/dbraw/zinc/82/41/46/603824146.db2.gz CIGHVTRZSDBOKQ-LLVKDONJSA-N -1 0 323.415 -0.374 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCCNC(=O)C1CCC1 ZINC000831676118 603824198 /nfs/dbraw/zinc/82/41/98/603824198.db2.gz LVWXBQRYKGUZEZ-MNOVXSKESA-N -1 0 313.354 -0.478 20 0 DBADRM CC(C)CNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000824262653 603825140 /nfs/dbraw/zinc/82/51/40/603825140.db2.gz DYYIGLXQBNBYLJ-GUBZILKMSA-N -1 0 302.327 -0.197 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000831259806 603827120 /nfs/dbraw/zinc/82/71/20/603827120.db2.gz HWBRFIFMMBQZFR-UHFFFAOYSA-N -1 0 311.298 -0.221 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000825698406 603833330 /nfs/dbraw/zinc/83/33/30/603833330.db2.gz XNXMPHAUMJPNCS-MRVPVSSYSA-N -1 0 312.326 -0.521 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000831901285 603833835 /nfs/dbraw/zinc/83/38/35/603833835.db2.gz GGTNPRQSJRGZLS-LDYMZIIASA-N -1 0 308.331 -0.371 20 0 DBADRM CC[C@H](NC(=O)NCCNC(=O)[O-])C(=O)N1CCOCC1 ZINC000826613732 603845192 /nfs/dbraw/zinc/84/51/92/603845192.db2.gz QDEXRAFFAJXPCR-VIFPVBQESA-N -1 0 302.331 -0.809 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000828881414 603846230 /nfs/dbraw/zinc/84/62/30/603846230.db2.gz ZOXFUXBSBDXFPP-ZDUSSCGKSA-N -1 0 317.317 -0.604 20 0 DBADRM CO[C@@H]1CCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000829060857 603846293 /nfs/dbraw/zinc/84/62/93/603846293.db2.gz FBDOMRPXSMCTQZ-SNVBAGLBSA-N -1 0 314.342 -0.761 20 0 DBADRM C[C@@H](NC(=O)NCCN1CCN(C(=O)[O-])CC1)C(=O)N(C)C ZINC000829788174 603846457 /nfs/dbraw/zinc/84/64/57/603846457.db2.gz RHDROKNFZXJICO-SNVBAGLBSA-N -1 0 315.374 -0.942 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000828664138 603855546 /nfs/dbraw/zinc/85/55/46/603855546.db2.gz WEERQXKNWQICLH-VHSXEESVSA-N -1 0 315.326 -0.288 20 0 DBADRM COCCOC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000829002555 603861425 /nfs/dbraw/zinc/86/14/25/603861425.db2.gz WXXCAABBQCORRW-WOPDTQHZSA-N -1 0 316.354 -0.389 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000827046094 603862151 /nfs/dbraw/zinc/86/21/51/603862151.db2.gz PAWQSZHGAOMCGN-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000831646796 603862440 /nfs/dbraw/zinc/86/24/40/603862440.db2.gz JLKHZRBQNAOCAM-UWVGGRQHSA-N -1 0 311.342 -0.452 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)N1CCN2C(=O)NC[C@H]2C1)C1CC1 ZINC000832420770 603872044 /nfs/dbraw/zinc/87/20/44/603872044.db2.gz HEXIZEBRNVEHDA-VHSXEESVSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(C)NC(=O)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000824368140 603873499 /nfs/dbraw/zinc/87/34/99/603873499.db2.gz JNSAOUBKIPZEIX-UHFFFAOYSA-N -1 0 312.326 -0.425 20 0 DBADRM C[C@@]1(C(=O)NC[C@@H]2CCS(=O)(=O)C2)CCN(C(=O)[O-])C1 ZINC000825663158 603873534 /nfs/dbraw/zinc/87/35/34/603873534.db2.gz LNAPRCVYKLWZQC-JOYOIKCWSA-N -1 0 304.368 -0.073 20 0 DBADRM CN(CCN1CCOCC1)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828316102 603874092 /nfs/dbraw/zinc/87/40/92/603874092.db2.gz JYUIUUAQBODTMG-CYBMUJFWSA-N -1 0 303.334 -0.131 20 0 DBADRM O=C([O-])N1CCN(Cc2nc(-c3cnccn3)no2)C(=O)C1 ZINC000832036441 603878659 /nfs/dbraw/zinc/87/86/59/603878659.db2.gz LGKKHEIPJKWATH-UHFFFAOYSA-N -1 0 304.266 -0.151 20 0 DBADRM Cc1nnc(CCNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])[nH]1 ZINC000830741687 603884243 /nfs/dbraw/zinc/88/42/43/603884243.db2.gz NLVDGXWSAGBBPW-JTQLQIEISA-N -1 0 311.342 -0.069 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])CC2)cn1 ZINC000831009410 603884477 /nfs/dbraw/zinc/88/44/77/603884477.db2.gz TWQKIVOWMDPEQT-RYUDHWBXSA-N -1 0 323.353 -0.818 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NCCCN2C(=O)CNC2=O)C1 ZINC000831900854 603889604 /nfs/dbraw/zinc/88/96/04/603889604.db2.gz BTAIRWMDIIUQHP-GFCCVEGCSA-N -1 0 316.289 -0.864 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000825014845 603891702 /nfs/dbraw/zinc/89/17/02/603891702.db2.gz AWOGZURIVHRBPY-LDYMZIIASA-N -1 0 310.347 -0.030 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCCN2C(=O)CCC2=O)C1 ZINC000831901877 603894830 /nfs/dbraw/zinc/89/48/30/603894830.db2.gz KUIAWYYCQKCEJL-LBPRGKRZSA-N -1 0 301.274 -0.656 20 0 DBADRM O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])NC1CCCC1 ZINC000831504302 603902684 /nfs/dbraw/zinc/90/26/84/603902684.db2.gz VIJYSEOXPUYBDR-SNVBAGLBSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NC[C@@H](O)C2CCOCC2)C1 ZINC000831894189 603903268 /nfs/dbraw/zinc/90/32/68/603903268.db2.gz GOUWXAORTOAHHZ-MFKMUULPSA-N -1 0 304.318 -0.018 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000826093776 603903934 /nfs/dbraw/zinc/90/39/34/603903934.db2.gz LNQXPPSNCXAQEO-KWQFWETISA-N -1 0 308.331 -0.276 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000827300498 603906364 /nfs/dbraw/zinc/90/63/64/603906364.db2.gz VULPISQAQNMLBL-NOZJJQNGSA-N -1 0 318.301 -0.131 20 0 DBADRM COCCCS(=O)(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000828964260 603912572 /nfs/dbraw/zinc/91/25/72/603912572.db2.gz QPFBQEZFCQMMSA-UHFFFAOYSA-N -1 0 323.415 -0.372 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C2CC(F)(F)C2)CC1 ZINC000831615636 603915538 /nfs/dbraw/zinc/91/55/38/603915538.db2.gz AENDTXROTYNVAS-UHFFFAOYSA-N -1 0 305.281 -0.030 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CC[C@@H](N(C)C(=O)[O-])C2)C1=O ZINC000828920106 603917114 /nfs/dbraw/zinc/91/71/14/603917114.db2.gz DJJRNCODCAAVNM-NOZJJQNGSA-N -1 0 314.342 -0.415 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CC[C@H](N(C)C(=O)[O-])C2)C1=O ZINC000828920109 603917741 /nfs/dbraw/zinc/91/77/41/603917741.db2.gz DJJRNCODCAAVNM-ZANVPECISA-N -1 0 314.342 -0.415 20 0 DBADRM CCCN1C(=O)C(=O)N(CN2CC[C@H](N(C)C(=O)[O-])C2)C1=O ZINC000826915979 603918899 /nfs/dbraw/zinc/91/88/99/603918899.db2.gz BARVFXCPTGQRQZ-VIFPVBQESA-N -1 0 312.326 -0.171 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000825508090 603920778 /nfs/dbraw/zinc/92/07/78/603920778.db2.gz GNZCISZBCBFSOB-AEJSXWLSSA-N -1 0 321.399 -0.133 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825509520 603922611 /nfs/dbraw/zinc/92/26/11/603922611.db2.gz QMFKWANRRIUGHB-GQDPBHBBSA-N -1 0 319.383 -0.286 20 0 DBADRM C[C@@H](COC(=O)COC1CN(C(=O)[O-])C1)CS(C)(=O)=O ZINC000824987544 603926358 /nfs/dbraw/zinc/92/63/58/603926358.db2.gz NJXYDAUMCWFBSC-QMMMGPOBSA-N -1 0 309.340 -0.411 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000825172408 603937197 /nfs/dbraw/zinc/93/71/97/603937197.db2.gz SPKROBHXXUZDPT-CPFSXVBKSA-N -1 0 312.326 -0.521 20 0 DBADRM C[C@@]1(C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CCN(C(=O)[O-])C1 ZINC000825650949 603938976 /nfs/dbraw/zinc/93/89/76/603938976.db2.gz SOYCYRRDLNQCLS-LDYMZIIASA-N -1 0 305.356 -0.734 20 0 DBADRM C[C@]1(C(=O)N2CC[C@H](S(N)(=O)=O)C2)CCN(C(=O)[O-])C1 ZINC000825650947 603939088 /nfs/dbraw/zinc/93/90/88/603939088.db2.gz SOYCYRRDLNQCLS-KWQFWETISA-N -1 0 305.356 -0.734 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000828971481 603940778 /nfs/dbraw/zinc/94/07/78/603940778.db2.gz XOYSKQHJEXFKMI-CQSZACIVSA-N -1 0 315.370 -0.060 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)C(=O)OC ZINC000828646300 603942311 /nfs/dbraw/zinc/94/23/11/603942311.db2.gz HHYAFIFXKRYVHD-YIZRAAEISA-N -1 0 316.310 -0.356 20 0 DBADRM CC1(C)CN(C(=O)[O-])CCN1C(=O)CN1CCC(=O)NC1=O ZINC000825724063 603943805 /nfs/dbraw/zinc/94/38/05/603943805.db2.gz BQCJVYCYLOMTTG-UHFFFAOYSA-N -1 0 312.326 -0.471 20 0 DBADRM C[C@]1(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCN(C(=O)[O-])C1 ZINC000825650018 603946783 /nfs/dbraw/zinc/94/67/83/603946783.db2.gz BJJTYIZMELXDLE-CABZTGNLSA-N -1 0 319.383 -0.474 20 0 DBADRM CNC(=O)N1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000828552516 603947894 /nfs/dbraw/zinc/94/78/94/603947894.db2.gz SBFWJBGDCCQSKW-GFCCVEGCSA-N -1 0 302.306 -0.438 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000828683121 603948823 /nfs/dbraw/zinc/94/88/23/603948823.db2.gz GXLAWGVUEUMBKS-BDAKNGLRSA-N -1 0 316.310 -0.260 20 0 DBADRM C[C@@]1(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)CCN(C(=O)[O-])C1 ZINC000825651317 603949366 /nfs/dbraw/zinc/94/93/66/603949366.db2.gz XJSSYDYOJANEJZ-JOYOIKCWSA-N -1 0 319.383 -0.344 20 0 DBADRM COC[C@@H](C)C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000828896037 603957119 /nfs/dbraw/zinc/95/71/19/603957119.db2.gz GANUUBRHGQWQGV-MRVPVSSYSA-N -1 0 312.330 -0.174 20 0 DBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3cnccn3)n2)CC1 ZINC000831815081 603958793 /nfs/dbraw/zinc/95/87/93/603958793.db2.gz AETCRSINZXTAEF-UHFFFAOYSA-N -1 0 318.297 -0.353 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000825002086 603961008 /nfs/dbraw/zinc/96/10/08/603961008.db2.gz SGNHRIOWXVCCLU-OUAUKWLOSA-N -1 0 302.327 -0.325 20 0 DBADRM CN1CCC[C@@H](NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1=O ZINC000828480175 603961919 /nfs/dbraw/zinc/96/19/19/603961919.db2.gz DNSPPXQJMYVHSN-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828684281 603968136 /nfs/dbraw/zinc/96/81/36/603968136.db2.gz SFZIFMUZUZCBLV-IUCAKERBSA-N -1 0 316.310 -0.403 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@]2(C)CCN(C(=O)[O-])C2)n1 ZINC000828551957 603969321 /nfs/dbraw/zinc/96/93/21/603969321.db2.gz JYVBZWBSFOBUTC-GFCCVEGCSA-N -1 0 310.314 -0.647 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000828684223 603975291 /nfs/dbraw/zinc/97/52/91/603975291.db2.gz RJAWVWBVAKRUDF-MXWKQRLJSA-N -1 0 313.354 -0.119 20 0 DBADRM CCCC[C@H](CNC(=O)[O-])NC(=O)CN1C(=O)CN(C)C1=O ZINC000826782030 603977805 /nfs/dbraw/zinc/97/78/05/603977805.db2.gz UOJGKUQABWFVRX-SECBINFHSA-N -1 0 314.342 -0.177 20 0 DBADRM CCCC[C@@H](CNC(=O)[O-])NC(=O)CN(C)S(C)(=O)=O ZINC000826781869 603979426 /nfs/dbraw/zinc/97/94/26/603979426.db2.gz SLTWAKNTTKDSDP-VIFPVBQESA-N -1 0 309.388 -0.180 20 0 DBADRM NC(=O)NC[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000831208736 603979646 /nfs/dbraw/zinc/97/96/46/603979646.db2.gz UUPHYTLJTZVEFN-TVQRCGJNSA-N -1 0 316.333 -0.015 20 0 DBADRM NC(=O)NC[C@@H]1CCCN(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000831208094 603979862 /nfs/dbraw/zinc/97/98/62/603979862.db2.gz KGRKAGYHHNNAMJ-VIFPVBQESA-N -1 0 314.342 -0.728 20 0 DBADRM NC(=O)NC[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000831208734 603979921 /nfs/dbraw/zinc/97/99/21/603979921.db2.gz UUPHYTLJTZVEFN-RNCFNFMXSA-N -1 0 316.333 -0.015 20 0 DBADRM CC(C)(NC(=O)[O-])c1noc(CN2CCO[C@@H](CO)C2)n1 ZINC000824030430 603988463 /nfs/dbraw/zinc/98/84/63/603988463.db2.gz XRXNXBIGRVMEDI-MRVPVSSYSA-N -1 0 300.315 -0.235 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)CN(CC2CC2)C(=O)[O-])n1 ZINC000828078636 603989389 /nfs/dbraw/zinc/98/93/89/603989389.db2.gz ZZENKIGNGGVALG-UHFFFAOYSA-N -1 0 324.341 -0.047 20 0 DBADRM CCc1nnc2n1C[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)CC2 ZINC000827657150 603993120 /nfs/dbraw/zinc/99/31/20/603993120.db2.gz WRSVQIONOGPIDN-VIFPVBQESA-N -1 0 323.353 -0.350 20 0 DBADRM C[C@@H]1CN(CCNC(=O)COC2CN(C(=O)[O-])C2)CCO1 ZINC000826056648 603993428 /nfs/dbraw/zinc/99/34/28/603993428.db2.gz DRULKQQAESPBAA-SNVBAGLBSA-N -1 0 301.343 -0.798 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000828705104 603995660 /nfs/dbraw/zinc/99/56/60/603995660.db2.gz RDCRTWNUQXAKLR-VIFPVBQESA-N -1 0 315.326 -0.288 20 0 DBADRM NC(=O)NC[C@H]1CCCCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000831208806 603995694 /nfs/dbraw/zinc/99/56/94/603995694.db2.gz VVYLWKKUUFLVSC-SECBINFHSA-N -1 0 314.342 -0.585 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC(C3OCCO3)CC2)C1 ZINC000831852739 603996696 /nfs/dbraw/zinc/99/66/96/603996696.db2.gz TWUDPIBZRKBDSA-UHFFFAOYSA-N -1 0 314.338 -0.023 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC[C@H](C3OCCO3)C2)C1 ZINC000831852829 603996777 /nfs/dbraw/zinc/99/67/77/603996777.db2.gz VMJBRLCRUBGQAE-JTQLQIEISA-N -1 0 314.338 -0.023 20 0 DBADRM Cn1cc(N2CCN(C(=O)CC3CN(C(=O)[O-])C3)CC2=O)cn1 ZINC000831009497 603997402 /nfs/dbraw/zinc/99/74/02/603997402.db2.gz WCXNWEUTXXREDE-UHFFFAOYSA-N -1 0 321.337 -0.405 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)COC2CN(C(=O)[O-])C2)n1 ZINC000828698871 603997603 /nfs/dbraw/zinc/99/76/03/603997603.db2.gz AAOBXSGJEQRYIX-UHFFFAOYSA-N -1 0 312.282 -0.627 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)COC1CN(C(=O)[O-])C1)CC2 ZINC000830797700 603998542 /nfs/dbraw/zinc/99/85/42/603998542.db2.gz GCOIWVALWQOHTC-SECBINFHSA-N -1 0 309.326 -0.604 20 0 DBADRM NS(=O)(=O)CCNC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000831246338 604003402 /nfs/dbraw/zinc/00/34/02/604003402.db2.gz PQJKBOFJMIYHFW-YUMQZZPRSA-N -1 0 308.360 -0.990 20 0 DBADRM CCOCCN1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000827399557 604005396 /nfs/dbraw/zinc/00/53/96/604005396.db2.gz JTOKHQMTVUWPOC-UHFFFAOYSA-N -1 0 315.370 -0.454 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCCOC[C@H]1CCOC1 ZINC000831533500 604005764 /nfs/dbraw/zinc/00/57/64/604005764.db2.gz MXCFHAZZGCRDDL-JTQLQIEISA-N -1 0 302.327 -0.466 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000831199852 604005729 /nfs/dbraw/zinc/00/57/29/604005729.db2.gz LCULGDMCWMSYTR-JTQLQIEISA-N -1 0 322.321 -0.261 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC[C@@H]2Cn2cncn2)C1 ZINC000831857631 604008698 /nfs/dbraw/zinc/00/86/98/604008698.db2.gz CVTHDUQCWBRCDG-SNVBAGLBSA-N -1 0 309.326 -0.352 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCCOC[C@@H]1CCCO1 ZINC000831534431 604010150 /nfs/dbraw/zinc/01/01/50/604010150.db2.gz ZWROMJDNBOWIFD-JTQLQIEISA-N -1 0 302.327 -0.323 20 0 DBADRM COC(=O)[C@@](C)(NC(=O)COC1CN(C(=O)[O-])C1)C1CC1 ZINC000828600472 604012362 /nfs/dbraw/zinc/01/23/62/604012362.db2.gz JJHXEFDPUVNMOA-ZDUSSCGKSA-N -1 0 300.311 -0.177 20 0 DBADRM Nc1nsc(N2CCN(C(=O)CCNC(=O)[O-])CC2)n1 ZINC000831265297 604012440 /nfs/dbraw/zinc/01/24/40/604012440.db2.gz GKPPJCWVYFQBMH-UHFFFAOYSA-N -1 0 300.344 -0.573 20 0 DBADRM Cn1ncc2c1nnn(CN1CCCN(C(=O)[O-])CC1)c2=O ZINC000831054589 604015253 /nfs/dbraw/zinc/01/52/53/604015253.db2.gz GSYFMXYJVQXQAG-UHFFFAOYSA-N -1 0 307.314 -0.832 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)COC2CN(C(=O)[O-])C2)CCO1 ZINC000827295303 604016367 /nfs/dbraw/zinc/01/63/67/604016367.db2.gz ABYFQAKDSWVSGJ-SNVBAGLBSA-N -1 0 316.310 -0.844 20 0 DBADRM CC(C)(CCS(C)(=O)=O)NC(=O)COC1CN(C(=O)[O-])C1 ZINC000823895001 604019440 /nfs/dbraw/zinc/01/94/40/604019440.db2.gz IBULYSSIASIGRZ-UHFFFAOYSA-N -1 0 322.383 -0.305 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)COC1CN(C(=O)[O-])C1)CC2 ZINC000831050056 604026368 /nfs/dbraw/zinc/02/63/68/604026368.db2.gz FNDFSVPKOWLQOI-UHFFFAOYSA-N -1 0 322.321 -0.956 20 0 DBADRM O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)Cn1cccnc1=O)CC2 ZINC000831567725 604026567 /nfs/dbraw/zinc/02/65/67/604026567.db2.gz VANQBGUVTYZHOM-MNOVXSKESA-N -1 0 306.322 -0.013 20 0 DBADRM NC(=O)CSCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000831195112 604032340 /nfs/dbraw/zinc/03/23/40/604032340.db2.gz XFTWGSHZHUNALU-BDAKNGLRSA-N -1 0 301.368 -0.052 20 0 DBADRM NC(=O)Cn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])nn1 ZINC000831200115 604032393 /nfs/dbraw/zinc/03/23/93/604032393.db2.gz SYHKTNPWKIPKTM-BDAKNGLRSA-N -1 0 322.325 -0.880 20 0 DBADRM COc1cc(C(=O)NCCNC(=O)[O-])sc1S(N)(=O)=O ZINC000829080483 604036016 /nfs/dbraw/zinc/03/60/16/604036016.db2.gz KBDVGQAFYFKWME-UHFFFAOYSA-N -1 0 323.352 -0.599 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000825270998 604040634 /nfs/dbraw/zinc/04/06/34/604040634.db2.gz CYJWFVPQHVXEQE-MNOVXSKESA-N -1 0 321.399 -0.069 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000736360767 604050325 /nfs/dbraw/zinc/05/03/25/604050325.db2.gz BCIAZIYDVMQEEA-MQJDWESPSA-N -1 0 319.427 -0.199 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827481899 604054012 /nfs/dbraw/zinc/05/40/12/604054012.db2.gz YXCPNVMZAOYLCR-DTWKUNHWSA-N -1 0 308.356 -0.095 20 0 DBADRM CN(C)CCN(C(=O)CN(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000828024934 604054896 /nfs/dbraw/zinc/05/48/96/604054896.db2.gz XMMJKFKAAFSZBV-JTQLQIEISA-N -1 0 321.399 -0.827 20 0 DBADRM COCCCOC1CN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000828950559 604058207 /nfs/dbraw/zinc/05/82/07/604058207.db2.gz MDIYNCYDEBLUPJ-MWLCHTKSSA-N -1 0 302.327 -0.637 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2COCCN2C(=O)[O-])C1=O ZINC000824350572 604058569 /nfs/dbraw/zinc/05/85/69/604058569.db2.gz FVNMIRHZGCSZMK-DTWKUNHWSA-N -1 0 313.310 -0.983 20 0 DBADRM NC(=O)c1cc(NC(=O)CC2CN(C(=O)[O-])C2)cc(C(N)=O)c1 ZINC000831216044 604061790 /nfs/dbraw/zinc/06/17/90/604061790.db2.gz OWXRZYJIBVKNJA-UHFFFAOYSA-N -1 0 320.305 -0.177 20 0 DBADRM NC(=O)NC(=O)COC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000831207751 604061994 /nfs/dbraw/zinc/06/19/94/604061994.db2.gz DDSHIKIZHPYDRY-JTQLQIEISA-N -1 0 323.305 -0.007 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000829700937 604066057 /nfs/dbraw/zinc/06/60/57/604066057.db2.gz XDZBBMIGXRASIW-OAQYLSRUSA-N -1 0 317.411 -0.491 20 0 DBADRM O=C([O-])NCCCOC1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000832621696 604073575 /nfs/dbraw/zinc/07/35/75/604073575.db2.gz TUEZHNKGDSLFGY-JTQLQIEISA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])NC1(CC(=O)N2CCC3(CC2)NC(=O)NC3=O)CCC1 ZINC000832194498 604079577 /nfs/dbraw/zinc/07/95/77/604079577.db2.gz VKKTYEYPOPEXBT-UHFFFAOYSA-N -1 0 324.337 -0.233 20 0 DBADRM C[C@@H](NC(=O)CN1CCC[C@H]1CN(C)C(=O)[O-])C(=O)N(C)C ZINC000825120295 604089892 /nfs/dbraw/zinc/08/98/92/604089892.db2.gz DIWCWIQLOYDEEQ-MNOVXSKESA-N -1 0 314.386 -0.347 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000824833316 604092810 /nfs/dbraw/zinc/09/28/10/604092810.db2.gz NBMSWPZYNFFEKJ-NXEZZACHSA-N -1 0 321.399 -0.228 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)[C@@H](C)CN(C)C(=O)[O-])CC1 ZINC000823560809 604094475 /nfs/dbraw/zinc/09/44/75/604094475.db2.gz GDOOKXDWFWQADN-NSHDSACASA-N -1 0 314.386 -0.487 20 0 DBADRM COCC(=O)N1CCN(C(=O)CC2(NC(=O)[O-])CCC2)CC1 ZINC000828880096 604102618 /nfs/dbraw/zinc/10/26/18/604102618.db2.gz GLDFGOUJNMFEEM-UHFFFAOYSA-N -1 0 313.354 -0.116 20 0 DBADRM C[C@H](OC(=O)[C@]1(C)CCN(C(=O)[O-])C1)C(=O)N1CCNC1=O ZINC000825535364 604106166 /nfs/dbraw/zinc/10/61/66/604106166.db2.gz KVWHDPMQCPPHBV-ISVAXAHUSA-N -1 0 313.310 -0.140 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000828543317 604114900 /nfs/dbraw/zinc/11/49/00/604114900.db2.gz SVLVQPMJXRYBJS-MRVPVSSYSA-N -1 0 322.321 -0.184 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C1CC1 ZINC000832420374 604115512 /nfs/dbraw/zinc/11/55/12/604115512.db2.gz CIDMJEVMFSPRGG-ONGXEEELSA-N -1 0 321.337 -0.075 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000827250944 604115545 /nfs/dbraw/zinc/11/55/45/604115545.db2.gz WBCGFLRXXQFFIC-GFCCVEGCSA-N -1 0 301.299 -0.235 20 0 DBADRM NC(=O)NCCC(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000831208592 604116965 /nfs/dbraw/zinc/11/69/65/604116965.db2.gz SBLZFPNIRKTMRX-UHFFFAOYSA-N -1 0 316.358 -0.290 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000824847500 604120611 /nfs/dbraw/zinc/12/06/11/604120611.db2.gz IHXGUVBOUPGHDT-VHSXEESVSA-N -1 0 321.399 -0.228 20 0 DBADRM O=C([O-])N1CCN(CC(=O)OCCNc2cccnn2)C(=O)C1 ZINC000831488822 604124021 /nfs/dbraw/zinc/12/40/21/604124021.db2.gz LCNBYFZQRZVZCG-UHFFFAOYSA-N -1 0 323.309 -0.746 20 0 DBADRM COC(=O)c1ccsc1NC(=O)C(=O)NCCNC(=O)[O-] ZINC000828803585 604124949 /nfs/dbraw/zinc/12/49/49/604124949.db2.gz BURFRJZTINYNFL-UHFFFAOYSA-N -1 0 315.307 -0.143 20 0 DBADRM O=C([O-])NC1(CC(=O)NCCN2CCCS2(=O)=O)CCC1 ZINC000832203447 604130010 /nfs/dbraw/zinc/13/00/10/604130010.db2.gz ISELOQBEYMSNTL-UHFFFAOYSA-N -1 0 319.383 -0.282 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000824830148 604135592 /nfs/dbraw/zinc/13/55/92/604135592.db2.gz CDGKQNBUHGADAD-ISVAXAHUSA-N -1 0 312.326 -0.615 20 0 DBADRM C[C@@H](CCNC(=O)C(=O)Nc1cccn(C)c1=O)NC(=O)[O-] ZINC000824779108 604143190 /nfs/dbraw/zinc/14/31/90/604143190.db2.gz XOFOZUAQHXEZKN-QMMMGPOBSA-N -1 0 310.310 -0.514 20 0 DBADRM CCN(CCNC(=O)C(=O)Nc1cccn(C)c1=O)C(=O)[O-] ZINC000827134819 604147510 /nfs/dbraw/zinc/14/75/10/604147510.db2.gz MNXMMTBFADNFMS-UHFFFAOYSA-N -1 0 310.310 -0.560 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CCC[C@H]2CNC(=O)[O-])c1=O ZINC000831023222 604148062 /nfs/dbraw/zinc/14/80/62/604148062.db2.gz ZTTQLQFBJGBLKS-VIFPVBQESA-N -1 0 322.321 -0.418 20 0 DBADRM COCCN(CC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000828971351 604148467 /nfs/dbraw/zinc/14/84/67/604148467.db2.gz WNLCLJGXAHKDTD-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCCN(CC(N)=O)CC1 ZINC000824833963 604149672 /nfs/dbraw/zinc/14/96/72/604149672.db2.gz SHWAARRLTYSBOV-SNVBAGLBSA-N -1 0 300.359 -0.748 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[O-])[C@H](C)C2)n(C)n1 ZINC000830091090 604151573 /nfs/dbraw/zinc/15/15/73/604151573.db2.gz YYDCSIQTDZWGAY-SECBINFHSA-N -1 0 309.326 -0.122 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000824854086 604161759 /nfs/dbraw/zinc/16/17/59/604161759.db2.gz GVKZPTQNCWJXQX-MRVPVSSYSA-N -1 0 309.388 -0.324 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)CC2(NC(=O)[O-])CCC2)C1 ZINC000831247229 604168334 /nfs/dbraw/zinc/16/83/34/604168334.db2.gz XJAVEOCEXPPWNO-MRVPVSSYSA-N -1 0 305.356 -0.544 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000824831868 604169337 /nfs/dbraw/zinc/16/93/37/604169337.db2.gz HGMQMJDYXAVBKF-DTWKUNHWSA-N -1 0 307.372 -0.488 20 0 DBADRM O=C([O-])N1CCC[C@H](CNC(=O)N2CCO[C@H](CO)C2)C1 ZINC000831981277 604170428 /nfs/dbraw/zinc/17/04/28/604170428.db2.gz VLISKWDJAJCXKR-MNOVXSKESA-N -1 0 301.343 -0.221 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])C1 ZINC000828572598 604172617 /nfs/dbraw/zinc/17/26/17/604172617.db2.gz FFXCAYCRXXVBHZ-VHSXEESVSA-N -1 0 321.399 -0.228 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])CCO1 ZINC000831178987 604181625 /nfs/dbraw/zinc/18/16/25/604181625.db2.gz PCMSDENXUJZRIY-GUBZILKMSA-N -1 0 314.342 -0.682 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)OCC[C@H]1CCCO1 ZINC000831489146 604209452 /nfs/dbraw/zinc/20/94/52/604209452.db2.gz OHXRJDJHWXDKQB-SNVBAGLBSA-N -1 0 300.311 -0.079 20 0 DBADRM C[C@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)[C@@H]1CCOC1 ZINC000825592175 604210831 /nfs/dbraw/zinc/21/08/31/604210831.db2.gz HRWDVOAIPCGOGW-VHSXEESVSA-N -1 0 300.311 -0.223 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)[C@H]3CCCN3C(=O)[O-])CC2)C1=O ZINC000828445837 604211267 /nfs/dbraw/zinc/21/12/67/604211267.db2.gz PSOPNSLZBRAXQO-SECBINFHSA-N -1 0 324.337 -0.328 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000829792787 604213636 /nfs/dbraw/zinc/21/36/36/604213636.db2.gz RRHOOGMWACXDLN-BFHDXFOESA-N -1 0 312.326 -0.521 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@H](C)CN(C)C(=O)[O-])CC1 ZINC000828542310 604216942 /nfs/dbraw/zinc/21/69/42/604216942.db2.gz JBWGBWZMVMMQLF-SNVBAGLBSA-N -1 0 300.359 -0.878 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CCNC(N)=O ZINC000826115164 604224218 /nfs/dbraw/zinc/22/42/18/604224218.db2.gz BXTIUASDRSINLR-HTQZYQBOSA-N -1 0 302.331 -0.336 20 0 DBADRM O=C([O-])NCc1nc(C(=O)N2C[C@H](O)C[C@H](O)C2)cs1 ZINC000832734760 604229783 /nfs/dbraw/zinc/22/97/83/604229783.db2.gz MJEKKCOWPRFVSN-KNVOCYPGSA-N -1 0 301.324 -0.522 20 0 DBADRM O=C([O-])NC[C@H](C(=O)N1C[C@H](O)C[C@H](O)C1)c1ccccc1 ZINC000832402895 604231329 /nfs/dbraw/zinc/23/13/29/604231329.db2.gz MXEOELVSAKWKBS-XQQFMLRXSA-N -1 0 308.334 -0.008 20 0 DBADRM O=C([O-])NC1(CC(=O)OCC(=O)N2CCNC(=O)C2)CCC1 ZINC000832216511 604235163 /nfs/dbraw/zinc/23/51/63/604235163.db2.gz XIAOEAZYHYBNCG-UHFFFAOYSA-N -1 0 313.310 -0.932 20 0 DBADRM NC(=O)Cn1cc(C(=O)OC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])nn1 ZINC000831199876 604241014 /nfs/dbraw/zinc/24/10/14/604241014.db2.gz LRTOQNXLXZNERX-JVHMLUBASA-N -1 0 323.309 -0.406 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])O[C@H]1CCS(=O)(=O)C1 ZINC000831480172 604248040 /nfs/dbraw/zinc/24/80/40/604248040.db2.gz PLFUBXMXGZXTNN-ZJUUUORDSA-N -1 0 321.351 -0.124 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])OCCN1CCNC1=O ZINC000831478678 604253378 /nfs/dbraw/zinc/25/33/78/604253378.db2.gz DEMSXGAFQZAGBU-SNVBAGLBSA-N -1 0 315.326 -0.286 20 0 DBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CNC(=O)[O-])CC1 ZINC000823668249 604257242 /nfs/dbraw/zinc/25/72/42/604257242.db2.gz COKBGWCAXSYVOD-NSHDSACASA-N -1 0 312.370 -0.591 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828573939 604261003 /nfs/dbraw/zinc/26/10/03/604261003.db2.gz YNVNBPLRAPSGJS-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM COCCOC1CN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828996649 604266165 /nfs/dbraw/zinc/26/61/65/604266165.db2.gz UTNDCVQXNYULMM-JTQLQIEISA-N -1 0 302.327 -0.371 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828639004 604267484 /nfs/dbraw/zinc/26/74/84/604267484.db2.gz DOTJSEPCUQTXNZ-ZJUUUORDSA-N -1 0 316.310 -0.844 20 0 DBADRM C[C@H](CCNC(=O)NC[C@H]1CCCS1(=O)=O)NC(=O)[O-] ZINC000824793517 604269179 /nfs/dbraw/zinc/26/91/79/604269179.db2.gz LPISKVYEEYVNEQ-RKDXNWHRSA-N -1 0 307.372 -0.091 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@]1(CCO)CCOC1 ZINC000831626877 604269606 /nfs/dbraw/zinc/26/96/06/604269606.db2.gz AZAGKGFCRBWLMV-GWCFXTLKSA-N -1 0 302.327 -0.730 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NC[C@]1(CCO)CCOC1 ZINC000831627149 604270296 /nfs/dbraw/zinc/27/02/96/604270296.db2.gz GRLNHRBEWCJNRP-CWSCBRNRSA-N -1 0 302.327 -0.995 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000828662579 604275294 /nfs/dbraw/zinc/27/52/94/604275294.db2.gz BHQBTIFUIQYCGG-NXEZZACHSA-N -1 0 316.310 -0.844 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)NC[C@@H]1CCCS1(=O)=O)C1CC1 ZINC000832428910 604276845 /nfs/dbraw/zinc/27/68/45/604276845.db2.gz XRUIMMFUMUNASO-UWVGGRQHSA-N -1 0 319.383 -0.091 20 0 DBADRM C[C@H](O)c1cn(CC(=O)NC[C@H]2CCCCN2C(=O)[O-])nn1 ZINC000825527507 604277524 /nfs/dbraw/zinc/27/75/24/604277524.db2.gz DUBRBWVMBUZJBE-VHSXEESVSA-N -1 0 311.342 -0.020 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCC(CNC(=O)[O-])CC2)nn1 ZINC000825528557 604277923 /nfs/dbraw/zinc/27/79/23/604277923.db2.gz PHIXJGHKNQTKDF-SECBINFHSA-N -1 0 311.342 -0.162 20 0 DBADRM COC(=O)CN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000828674839 604278641 /nfs/dbraw/zinc/27/86/41/604278641.db2.gz HDOTXSTYNPDVSC-SNVBAGLBSA-N -1 0 300.311 -0.081 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)nn1 ZINC000825528932 604278662 /nfs/dbraw/zinc/27/86/62/604278662.db2.gz VVYMWFBHQVHXSW-ZJUUUORDSA-N -1 0 311.342 -0.162 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)nn1 ZINC000825528381 604278732 /nfs/dbraw/zinc/27/87/32/604278732.db2.gz MATJIPWKYHIMGN-GUBZILKMSA-N -1 0 311.342 -0.164 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)nn1 ZINC000825528243 604278844 /nfs/dbraw/zinc/27/88/44/604278844.db2.gz LCAQNKFIIUCQLD-ZJUUUORDSA-N -1 0 311.342 -0.162 20 0 DBADRM COC(=O)[C@@]1(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCOC1 ZINC000828624532 604285177 /nfs/dbraw/zinc/28/51/77/604285177.db2.gz PHLAGEQDTAYPGZ-TVQRCGJNSA-N -1 0 316.310 -0.796 20 0 DBADRM NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831173702 604292256 /nfs/dbraw/zinc/29/22/56/604292256.db2.gz NQQIVACFCANQIW-VWYCJHECSA-N -1 0 313.354 -0.084 20 0 DBADRM NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000831173694 604292532 /nfs/dbraw/zinc/29/25/32/604292532.db2.gz NQQIVACFCANQIW-GMTAPVOTSA-N -1 0 313.354 -0.084 20 0 DBADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])C1CC1)S(=O)(=O)C1CCOCC1 ZINC000825989112 604297458 /nfs/dbraw/zinc/29/74/58/604297458.db2.gz ASONKYAFUBNXTM-LDYMZIIASA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)CCO1 ZINC000825302807 604302134 /nfs/dbraw/zinc/30/21/34/604302134.db2.gz SQBGPJBWPVHENQ-GUBZILKMSA-N -1 0 300.311 -0.177 20 0 DBADRM O=C([O-])N1CCCN(C(=O)NC[C@@H]2CCCS2(=O)=O)CC1 ZINC000832010068 604303051 /nfs/dbraw/zinc/30/30/51/604303051.db2.gz RPCGMPLVVQOXQU-JTQLQIEISA-N -1 0 319.383 -0.041 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000827851798 604303159 /nfs/dbraw/zinc/30/31/59/604303159.db2.gz MLUSPQAGRZWZHQ-VHSXEESVSA-N -1 0 319.383 -0.043 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NC[C@@]2(CCO)CCOC2)C1 ZINC000831627182 604305975 /nfs/dbraw/zinc/30/59/75/604305975.db2.gz GWEKPFIXOZESRT-ZWNOBZJWSA-N -1 0 302.327 -0.730 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCN3C(=O)OC[C@@H]3C2)C1 ZINC000832068629 604309110 /nfs/dbraw/zinc/30/91/10/604309110.db2.gz CZAGFMUJOZPNLM-VHSXEESVSA-N -1 0 313.310 -0.582 20 0 DBADRM CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000827334116 604323979 /nfs/dbraw/zinc/32/39/79/604323979.db2.gz OUSIRQWMYOMYNO-DCAQKATOSA-N -1 0 314.338 -0.099 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 ZINC000825171153 604324115 /nfs/dbraw/zinc/32/41/15/604324115.db2.gz HWYTVTMUWMDIPY-MRVPVSSYSA-N -1 0 307.372 -0.475 20 0 DBADRM CN(C(=O)CCCNC(=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000827759187 604325121 /nfs/dbraw/zinc/32/51/21/604325121.db2.gz PAEPYWJKDBTSBR-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2c(C)[nH]c(C(=O)[O-])c2C)CC1 ZINC000830992140 604333237 /nfs/dbraw/zinc/33/32/37/604333237.db2.gz YURSZNKEEGUSNF-UHFFFAOYSA-N -1 0 322.365 -0.166 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@H](CO)c2ccccc2)nn1 ZINC000833121394 604335060 /nfs/dbraw/zinc/33/50/60/604335060.db2.gz GHTQOBUYNITPKR-LLVKDONJSA-N -1 0 304.306 -0.131 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000826949504 604349066 /nfs/dbraw/zinc/34/90/66/604349066.db2.gz OPIHTRBBHCOEBR-SNVBAGLBSA-N -1 0 315.374 -0.765 20 0 DBADRM CN(CCCNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC000828294073 604351798 /nfs/dbraw/zinc/35/17/98/604351798.db2.gz URMVXNSISUYUCW-BDAKNGLRSA-N -1 0 302.331 -0.682 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@@H](CO)OC[C@@H]1C)C(=O)[O-] ZINC000826785730 604353144 /nfs/dbraw/zinc/35/31/44/604353144.db2.gz CJXSPWINMMVPME-SRVKXCTJSA-N -1 0 302.371 -0.317 20 0 DBADRM CCN(CCCNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)C(=O)[O-] ZINC000827125207 604353586 /nfs/dbraw/zinc/35/35/86/604353586.db2.gz XJWQZGDGNUQRON-VHSXEESVSA-N -1 0 316.358 -0.292 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](CO)OC[C@H]1C)C(=O)[O-] ZINC000828709939 604354031 /nfs/dbraw/zinc/35/40/31/604354031.db2.gz UOWOZLRWIYVUMO-NOHGZBONSA-N -1 0 302.371 -0.317 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CCN1C(=O)[O-] ZINC000825996206 604354089 /nfs/dbraw/zinc/35/40/89/604354089.db2.gz KWHILNLNBQZUFR-OPRDCNLKSA-N -1 0 314.342 -0.587 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000826027179 604354264 /nfs/dbraw/zinc/35/42/64/604354264.db2.gz RLQJZJQFBZIFBS-UTLUCORTSA-N -1 0 314.342 -0.587 20 0 DBADRM CC(C)[C@H](CNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1)NC(=O)[O-] ZINC000824117682 604355193 /nfs/dbraw/zinc/35/51/93/604355193.db2.gz QWSYGHMOGVXUJZ-KXUCPTDWSA-N -1 0 316.358 -0.389 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@H](NC(=O)[O-])C2)O1 ZINC000831173949 604355314 /nfs/dbraw/zinc/35/53/14/604355314.db2.gz PLGFQBPWZCZTIF-AEJSXWLSSA-N -1 0 314.342 -0.539 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C1 ZINC000827851760 604356148 /nfs/dbraw/zinc/35/61/48/604356148.db2.gz MFBMARSMLCWYFC-KXUCPTDWSA-N -1 0 314.342 -0.587 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCCN(C(=O)[O-])CC2)O1 ZINC000831173402 604356325 /nfs/dbraw/zinc/35/63/25/604356325.db2.gz MJRUKWQWYRGXPY-UWVGGRQHSA-N -1 0 314.342 -0.585 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC[C@H]2CNC(=O)[O-])O1 ZINC000831173379 604356571 /nfs/dbraw/zinc/35/65/71/604356571.db2.gz MEZDPFLHBATCSU-GUBZILKMSA-N -1 0 314.342 -0.539 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000776699163 604357468 /nfs/dbraw/zinc/35/74/68/604357468.db2.gz BRDHOLRUWSCHCW-ZCFIWIBFSA-N -1 0 309.731 -0.452 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000776699162 604357688 /nfs/dbraw/zinc/35/76/88/604357688.db2.gz BRDHOLRUWSCHCW-LURJTMIESA-N -1 0 309.731 -0.452 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000738626751 604374186 /nfs/dbraw/zinc/37/41/86/604374186.db2.gz WFSNPNBGZUQUQK-OPRDCNLKSA-N -1 0 319.383 -0.980 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)O1 ZINC000831172616 604379571 /nfs/dbraw/zinc/37/95/71/604379571.db2.gz IZXZVHBUXIAKSJ-LWINAJNOSA-N -1 0 303.290 -0.773 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)OCc1nc(N)nc(N(C)C)n1 ZINC000736384104 604382411 /nfs/dbraw/zinc/38/24/11/604382411.db2.gz CZRYTXKNEPGGHG-QMMMGPOBSA-N -1 0 312.330 -0.145 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)OCCNC(=O)c2ccncc2)C1 ZINC000831692840 604388112 /nfs/dbraw/zinc/38/81/12/604388112.db2.gz BVVDGQJSMBGCGB-NSHDSACASA-N -1 0 323.305 -0.267 20 0 DBADRM CC(C)N(CCC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)C(=O)[O-] ZINC000824336837 604393363 /nfs/dbraw/zinc/39/33/63/604393363.db2.gz ZYKAWCHAYDBOQR-VHSXEESVSA-N -1 0 301.343 -0.086 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000826721140 604393424 /nfs/dbraw/zinc/39/34/24/604393424.db2.gz PNLNMUJQQASPIH-ZDMBXUJBSA-N -1 0 301.343 -0.038 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000826721135 604393560 /nfs/dbraw/zinc/39/35/60/604393560.db2.gz PNLNMUJQQASPIH-KKFJDGPESA-N -1 0 301.343 -0.038 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)[C@H]2CSCN2C(=O)[O-])O1 ZINC000831172995 604394103 /nfs/dbraw/zinc/39/41/03/604394103.db2.gz KQLGQIGKXBFUHZ-XLPZGREQSA-N -1 0 303.340 -0.812 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCN([C@H](C)C(=O)[O-])CC2)cn1C ZINC000051658319 604394122 /nfs/dbraw/zinc/39/41/22/604394122.db2.gz QLYQRRNSJBLWOE-SECBINFHSA-N -1 0 316.383 -0.492 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)C2(CNC(=O)[O-])CCCC2)O1 ZINC000831174541 604394855 /nfs/dbraw/zinc/39/48/55/604394855.db2.gz VGHJBKXBRBWXQW-VHSXEESVSA-N -1 0 313.354 -0.037 20 0 DBADRM CN(CC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-])C(=O)C1CC1 ZINC000828501958 604394861 /nfs/dbraw/zinc/39/48/61/604394861.db2.gz ZJNVLAITYGQQAP-LLVKDONJSA-N -1 0 312.370 -0.735 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000167100766 604394868 /nfs/dbraw/zinc/39/48/68/604394868.db2.gz GEEPNPZIUUPLCG-YUMQZZPRSA-N -1 0 305.308 -0.252 20 0 DBADRM CN1CCN(C(=O)Cn2ccccc2=O)[C@H](CNC(=O)[O-])C1 ZINC000828507279 604395004 /nfs/dbraw/zinc/39/50/04/604395004.db2.gz NPBLNQDUMQOMIN-LLVKDONJSA-N -1 0 308.338 -0.742 20 0 DBADRM CN1CCN(C(=O)c2cn3cccnc3n2)[C@@H](CNC(=O)[O-])C1 ZINC000828513635 604403278 /nfs/dbraw/zinc/40/32/78/604403278.db2.gz NTNCFDBCNOHFIC-JTQLQIEISA-N -1 0 318.337 -0.247 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C[C@@H](O)CN1CCCC1=O ZINC000827015735 604404444 /nfs/dbraw/zinc/40/44/44/604404444.db2.gz HDUIGCBMODVYRL-NEPJUHHUSA-N -1 0 302.371 -0.220 20 0 DBADRM C[C@@H](C(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-])c1cnn(C)c1 ZINC000823668028 604405686 /nfs/dbraw/zinc/40/56/86/604405686.db2.gz BFGDSZHKJUBNPN-PWSUYJOCSA-N -1 0 309.370 -0.066 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000828618648 604407286 /nfs/dbraw/zinc/40/72/86/604407286.db2.gz PBMLPSUDVSPYIR-VYUIOLGVSA-N -1 0 300.311 -0.489 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1(C(N)=O)CC1 ZINC000832195058 604408669 /nfs/dbraw/zinc/40/86/69/604408669.db2.gz KXJBRDMVNPXWSG-UHFFFAOYSA-N -1 0 314.319 -0.310 20 0 DBADRM COC(=O)[C@H](C)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000831059331 604410135 /nfs/dbraw/zinc/41/01/35/604410135.db2.gz FWPFSVKJCMFTRS-MRVPVSSYSA-N -1 0 308.356 -0.574 20 0 DBADRM CN1CCN(C(=O)/C=C/c2cnccn2)[C@H](CNC(=O)[O-])C1 ZINC000828493793 604410575 /nfs/dbraw/zinc/41/05/75/604410575.db2.gz CUFQBDQNWNWUHI-QAVQXKDTSA-N -1 0 305.338 -0.100 20 0 DBADRM CN1CCN(C(=O)/C=C\c2cnccn2)[C@@H](CNC(=O)[O-])C1 ZINC000828493790 604410666 /nfs/dbraw/zinc/41/06/66/604410666.db2.gz CUFQBDQNWNWUHI-DLGQBQFBSA-N -1 0 305.338 -0.100 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1 ZINC000314161844 604410884 /nfs/dbraw/zinc/41/08/84/604410884.db2.gz KDDQQUVOPXRFNJ-SNVBAGLBSA-N -1 0 305.290 -0.282 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC2CN(C(=O)[O-])C2)c[nH]1 ZINC000828760856 604414078 /nfs/dbraw/zinc/41/40/78/604414078.db2.gz JBUVDCOJJJUNLD-UHFFFAOYSA-N -1 0 303.296 -0.558 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000828508362 604415539 /nfs/dbraw/zinc/41/55/39/604415539.db2.gz CONKGHSRTIRKRB-CABZTGNLSA-N -1 0 322.317 -0.069 20 0 DBADRM O=C([O-])NC1(C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000832151001 604421685 /nfs/dbraw/zinc/42/16/85/604421685.db2.gz BJPDLYPTVJYJKZ-UHFFFAOYSA-N -1 0 310.354 -0.791 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)Nc2nnn(C)n2)c(C(=O)[O-])c1C ZINC000825937179 604426477 /nfs/dbraw/zinc/42/64/77/604426477.db2.gz SSMCPVRNCKBLQV-UHFFFAOYSA-N -1 0 306.282 -0.071 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CN1CCCS1(=O)=O ZINC000827000916 604431095 /nfs/dbraw/zinc/43/10/95/604431095.db2.gz JYFUDFJPNRXSET-JTQLQIEISA-N -1 0 322.383 -0.642 20 0 DBADRM CCN(CCCNC(=O)C1(NC(=O)[O-])CC1)S(C)(=O)=O ZINC000827116875 604431629 /nfs/dbraw/zinc/43/16/29/604431629.db2.gz QVZYUYVEABPWMJ-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000818537177 604433951 /nfs/dbraw/zinc/43/39/51/604433951.db2.gz ZGLNZGDPYVAUOK-UHFFFAOYSA-N -1 0 322.383 -0.735 20 0 DBADRM CCN1C(=O)CN(CN2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)C1=O ZINC000827200524 604438372 /nfs/dbraw/zinc/43/83/72/604438372.db2.gz UKWVUBUDXYNSBW-NXEZZACHSA-N -1 0 314.342 -0.415 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CN(C)S(C)(=O)=O ZINC000827001093 604439218 /nfs/dbraw/zinc/43/92/18/604439218.db2.gz LIONZIYACFQXIK-VIFPVBQESA-N -1 0 310.372 -0.786 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CN1C(=O)CN(C)C1=O ZINC000827001969 604443402 /nfs/dbraw/zinc/44/34/02/604443402.db2.gz TUPXYISVZIIFSO-SECBINFHSA-N -1 0 315.326 -0.783 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000826996089 604444117 /nfs/dbraw/zinc/44/41/17/604444117.db2.gz RSBVGILZLPWBOU-RKDXNWHRSA-N -1 0 310.372 -0.739 20 0 DBADRM O=C([O-])NC1(C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000832186322 604458072 /nfs/dbraw/zinc/45/80/72/604458072.db2.gz OMGMKSAHAXAUIR-UHFFFAOYSA-N -1 0 323.353 -0.046 20 0 DBADRM C[C@@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])C(=O)OC(C)(C)C ZINC000829787984 604462695 /nfs/dbraw/zinc/46/26/95/604462695.db2.gz JNSUAXQMXQAICB-HRDYMLBCSA-N -1 0 302.327 -0.054 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)CSc2nnnn2C2CC2)C1 ZINC000740585373 604470256 /nfs/dbraw/zinc/47/02/56/604470256.db2.gz DSRVFVOSVNWBAY-SSDOTTSWSA-N -1 0 312.355 -0.031 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)o1 ZINC000739752334 604472338 /nfs/dbraw/zinc/47/23/38/604472338.db2.gz KQZVNYICQWMHEE-SSDOTTSWSA-N -1 0 317.323 -0.330 20 0 DBADRM C[C@@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)[C@@H]1CN(C)CCO1 ZINC000827681745 604472847 /nfs/dbraw/zinc/47/28/47/604472847.db2.gz PLJRBTBUKREJBJ-ZJUUUORDSA-N -1 0 311.342 -0.192 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C2(NC(=O)[O-])CC2)C1=O ZINC000828444864 604481339 /nfs/dbraw/zinc/48/13/39/604481339.db2.gz IQWWGKNKDULVFI-RTHLEPHNSA-N -1 0 324.337 -0.377 20 0 DBADRM O=C(CN[C@]1(C(=O)[O-])CCOC1)NC[C@H]1Cc2ccccc2O1 ZINC000833765115 604489424 /nfs/dbraw/zinc/48/94/24/604489424.db2.gz XLSQCDOBJQYEST-MLGOLLRUSA-N -1 0 320.345 -0.060 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)N(C)CC2CC2)CCO1 ZINC000825361845 604489596 /nfs/dbraw/zinc/48/95/96/604489596.db2.gz UUCKVAZUHCUEOM-ONGXEEELSA-N -1 0 321.399 -0.070 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)[C@@H]2CCOC2)CCO1 ZINC000825358380 604492073 /nfs/dbraw/zinc/49/20/73/604492073.db2.gz GLCKDMFNNKMSDL-AEJSXWLSSA-N -1 0 308.356 -0.538 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)CCO1 ZINC000825361458 604492613 /nfs/dbraw/zinc/49/26/13/604492613.db2.gz SJMSQFLBAUFFRC-IUCAKERBSA-N -1 0 318.355 -0.534 20 0 DBADRM CN(CCCNC(=O)N1CCC[C@@H]1CC(=O)[O-])S(C)(=O)=O ZINC000830772316 604493190 /nfs/dbraw/zinc/49/31/90/604493190.db2.gz GSNCGIQDLLJRQT-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000829984268 604497774 /nfs/dbraw/zinc/49/77/74/604497774.db2.gz JJDWADBNUWNQKH-DTWKUNHWSA-N -1 0 311.356 -0.453 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000829984267 604498076 /nfs/dbraw/zinc/49/80/76/604498076.db2.gz JJDWADBNUWNQKH-BDAKNGLRSA-N -1 0 311.356 -0.453 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000829978445 604498515 /nfs/dbraw/zinc/49/85/15/604498515.db2.gz ISLWNZYHQQRMQC-GARJFASQSA-N -1 0 324.399 -0.238 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)OCC(=O)NCCC(=O)[O-] ZINC000833447674 604501510 /nfs/dbraw/zinc/50/15/10/604501510.db2.gz ZUEDTAXIONIHLX-UHFFFAOYSA-N -1 0 309.340 -0.666 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000740290626 604505714 /nfs/dbraw/zinc/50/57/14/604505714.db2.gz QSWVFLINYIIELQ-SSDOTTSWSA-N -1 0 316.339 -0.845 20 0 DBADRM CNC(=O)[C@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)C(C)C ZINC000830979328 604506927 /nfs/dbraw/zinc/50/69/27/604506927.db2.gz UHFVXHHDKGXGBP-SNVBAGLBSA-N -1 0 306.384 -0.069 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)NCCCN1C(=O)CNC1=O ZINC000833211059 604513175 /nfs/dbraw/zinc/51/31/75/604513175.db2.gz RKLDBDRZDPGDEX-SECBINFHSA-N -1 0 312.326 -0.423 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1nc(N)nc(N(C)C)n1 ZINC000827021863 604516236 /nfs/dbraw/zinc/51/62/36/604516236.db2.gz KXVHTAQWFGGRNA-VIFPVBQESA-N -1 0 312.374 -0.170 20 0 DBADRM CC(=O)NCCCNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000823578989 604531438 /nfs/dbraw/zinc/53/14/38/604531438.db2.gz CRFYPYBQEYRVOT-KOLCDFICSA-N -1 0 316.358 -0.421 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1)C(=O)N(C)C ZINC000825149250 604538573 /nfs/dbraw/zinc/53/85/73/604538573.db2.gz FINLJHTZLXMRGS-LPEHRKFASA-N -1 0 316.358 -0.470 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCS(C)(=O)=O)CCO1 ZINC000825318976 604543096 /nfs/dbraw/zinc/54/30/96/604543096.db2.gz QYHQOENNRPRNLB-IUCAKERBSA-N -1 0 323.371 -0.903 20 0 DBADRM C[C@@H]1CN(c2ncnc(N3C[C@H](C)[C@H](O)C3)c2C(=O)[O-])C[C@@H]1O ZINC000833633560 604546783 /nfs/dbraw/zinc/54/67/83/604546783.db2.gz BNCUMMDMVJCZLI-CKIJPRSSSA-N -1 0 322.365 -0.191 20 0 DBADRM CC1(CNS(=O)(=O)c2csnc2C(=O)[O-])OCCO1 ZINC000833566207 604550004 /nfs/dbraw/zinc/55/00/04/604550004.db2.gz SBJDHHVMODBQMP-UHFFFAOYSA-N -1 0 308.337 -0.117 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CC1=O ZINC000830946755 604550278 /nfs/dbraw/zinc/55/02/78/604550278.db2.gz WYFQRQYAZFOHIC-UHFFFAOYSA-N -1 0 311.319 -0.315 20 0 DBADRM CCc1[nH]c(C(=O)NC[C@H](C)S(N)(=O)=O)c(C)c1C(=O)[O-] ZINC000833667924 604555992 /nfs/dbraw/zinc/55/59/92/604555992.db2.gz MGPGMQBODQWBJR-LURJTMIESA-N -1 0 317.367 -0.009 20 0 DBADRM Cc1nc(CNC(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)no1 ZINC000830756536 604556937 /nfs/dbraw/zinc/55/69/37/604556937.db2.gz HGECRVOKPCBSPL-APPZFPTMSA-N -1 0 313.314 -0.055 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)NCC(C)(C)C(=O)[O-] ZINC000262142576 604561191 /nfs/dbraw/zinc/56/11/91/604561191.db2.gz SDCRDGRMYAVZLC-UHFFFAOYSA-N -1 0 310.372 -0.831 20 0 DBADRM O=C([O-])N1CC(NC(=O)NCC(=O)NCc2ccccc2)C1 ZINC000831493553 604573103 /nfs/dbraw/zinc/57/31/03/604573103.db2.gz QSMFQGMWSHYMFR-UHFFFAOYSA-N -1 0 306.322 -0.036 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000829683634 604577002 /nfs/dbraw/zinc/57/70/02/604577002.db2.gz WWNNRLRDIIXAKK-MRVPVSSYSA-N -1 0 320.371 -0.928 20 0 DBADRM CC[C@@H](O)CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000826625995 604578337 /nfs/dbraw/zinc/57/83/37/604578337.db2.gz NZAKCJNHTQWMNE-SNVBAGLBSA-N -1 0 321.399 -0.933 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@@H]2CC(=O)[O-])nn1 ZINC000830557327 604581556 /nfs/dbraw/zinc/58/15/56/604581556.db2.gz VKTLKQBLUCIIIX-SECBINFHSA-N -1 0 309.326 -0.554 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)NCCCN2CCOCC2)C1 ZINC000740588404 604584534 /nfs/dbraw/zinc/58/45/34/604584534.db2.gz OYCLWHHOKOFEHC-LLVKDONJSA-N -1 0 300.359 -0.240 20 0 DBADRM COCCN1CCN(C(=O)[C@@H](CC(C)C)NC(=O)[O-])CC1=O ZINC000833724808 604584547 /nfs/dbraw/zinc/58/45/47/604584547.db2.gz SYTTXXGVCLHYQT-LLVKDONJSA-N -1 0 315.370 -0.014 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000827242231 604585748 /nfs/dbraw/zinc/58/57/48/604585748.db2.gz MMLUZBXFXKCZID-RKDXNWHRSA-N -1 0 316.383 -0.041 20 0 DBADRM C[C@@H](CNC(=O)N1CC[C@@H](NC(=O)[O-])C1)N1CCOCC1 ZINC000738914277 604590514 /nfs/dbraw/zinc/59/05/14/604590514.db2.gz BRJLDTQACCXZAR-WDEREUQCSA-N -1 0 300.359 -0.241 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CC(=O)N2CCOCC2)CCO1 ZINC000825344874 604592688 /nfs/dbraw/zinc/59/26/88/604592688.db2.gz PZKOMDMWWPHYTO-GHMZBOCLSA-N -1 0 301.343 -0.798 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)COC3)CCO1 ZINC000821466115 604593347 /nfs/dbraw/zinc/59/33/47/604593347.db2.gz GFMRDXWYFGDZLH-LBPRGKRZSA-N -1 0 320.301 -0.033 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)O)ccc1C(=O)[O-] ZINC000833712887 604596761 /nfs/dbraw/zinc/59/67/61/604596761.db2.gz KAVGSHRJOUFDAM-SSDOTTSWSA-N -1 0 324.289 -0.393 20 0 DBADRM CCOCCNC(=O)CN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827404947 604597412 /nfs/dbraw/zinc/59/74/12/604597412.db2.gz JMGCGFYFIYGXPY-WDEREUQCSA-N -1 0 303.359 -0.504 20 0 DBADRM CCCNC(=O)NC(=O)CN1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000826925339 604598961 /nfs/dbraw/zinc/59/89/61/604598961.db2.gz FNNZGBWHQPYWDV-UWVGGRQHSA-N -1 0 316.358 -0.421 20 0 DBADRM Cc1ncc(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)c(N)n1 ZINC000833008281 604602403 /nfs/dbraw/zinc/60/24/03/604602403.db2.gz SIMSPZGOJZVNEA-UHFFFAOYSA-N -1 0 322.321 -0.153 20 0 DBADRM Cn1cc(N2CCN(C(=O)NC3CN(C(=O)[O-])C3)CC2)cn1 ZINC000831008779 604608060 /nfs/dbraw/zinc/60/80/60/604608060.db2.gz BWMUFNGNTCGGJL-UHFFFAOYSA-N -1 0 308.342 -0.386 20 0 DBADRM Cn1ccnc1CN1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000831037834 604608164 /nfs/dbraw/zinc/60/81/64/604608164.db2.gz YOZVXVIMAZJDLJ-UHFFFAOYSA-N -1 0 322.369 -0.391 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)N2CC[C@@H](NC(=O)[O-])C2)O1 ZINC000831171814 604612172 /nfs/dbraw/zinc/61/21/72/604612172.db2.gz GAWRFTUPBUAFMI-IWSPIJDZSA-N -1 0 300.315 -0.929 20 0 DBADRM COCCN1CCN(C(=O)CCSCC(=O)[O-])CC1=O ZINC000833724848 604616107 /nfs/dbraw/zinc/61/61/07/604616107.db2.gz UWCSOXWCTDFDGC-UHFFFAOYSA-N -1 0 304.368 -0.489 20 0 DBADRM Cc1cnn(C[C@H]2CN(C(=O)NC3CN(C(=O)[O-])C3)CCO2)c1 ZINC000830646716 604616136 /nfs/dbraw/zinc/61/61/36/604616136.db2.gz ZOXAWVRBNMMFIM-GFCCVEGCSA-N -1 0 323.353 -0.036 20 0 DBADRM COCCN1CCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1=O ZINC000833723835 604616321 /nfs/dbraw/zinc/61/63/21/604616321.db2.gz BQYRXSQFGVWXEN-UHFFFAOYSA-N -1 0 307.306 -0.289 20 0 DBADRM CCn1nc2c(cc1=O)CN(C(=O)NC1CN(C(=O)[O-])C1)CC2 ZINC000827723547 604619685 /nfs/dbraw/zinc/61/96/85/604619685.db2.gz AYWIZOPZJGMVSL-UHFFFAOYSA-N -1 0 321.337 -0.307 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)NC2CN(C(=O)[O-])C2)CCO1 ZINC000827298984 604623043 /nfs/dbraw/zinc/62/30/43/604623043.db2.gz PHJZHYZTMBTQOA-VIFPVBQESA-N -1 0 301.299 -0.678 20 0 DBADRM O=C([O-])N1CC(NC(=O)N2CCC[C@@H]2CN2CCOCC2)C1 ZINC000831847758 604623625 /nfs/dbraw/zinc/62/36/25/604623625.db2.gz WNSLPKVTAQJWIV-GFCCVEGCSA-N -1 0 312.370 -0.145 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000833665849 604637316 /nfs/dbraw/zinc/63/73/16/604637316.db2.gz NPMIBNYZGLXULB-JGVFFNPUSA-N -1 0 301.386 -0.550 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000833665851 604637441 /nfs/dbraw/zinc/63/74/41/604637441.db2.gz NPMIBNYZGLXULB-SFYZADRCSA-N -1 0 301.386 -0.550 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)[C@H]1CCC(=O)O1)C(=O)[O-] ZINC000826785917 604643420 /nfs/dbraw/zinc/64/34/20/604643420.db2.gz HIYUQCJGNNLFLB-RKDXNWHRSA-N -1 0 301.295 -0.149 20 0 DBADRM Cc1nnc([C@@H]2CCCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])C2)[nH]1 ZINC000830735848 604646576 /nfs/dbraw/zinc/64/65/76/604646576.db2.gz VWVLTUSNIFUQCB-OUAUKWLOSA-N -1 0 323.353 -0.068 20 0 DBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)C1(NC(=O)[O-])CC1 ZINC000828050763 604655757 /nfs/dbraw/zinc/65/57/57/604655757.db2.gz FCGMUQIRCSBVKA-UHFFFAOYSA-N -1 0 309.344 -0.932 20 0 DBADRM NC(=O)CNC(=O)c1cccc(OC(=O)C2(NC(=O)[O-])CC2)c1 ZINC000831189751 604658772 /nfs/dbraw/zinc/65/87/72/604658772.db2.gz FFUXXVNWSQPXCK-UHFFFAOYSA-N -1 0 321.289 -0.393 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)N[C@H]1CCS(=O)(=O)C1 ZINC000831383111 604659044 /nfs/dbraw/zinc/65/90/44/604659044.db2.gz TZRZOTMYJUKGEK-IUCAKERBSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCc2nnc3ccccn32)C1 ZINC000831704551 604660487 /nfs/dbraw/zinc/66/04/87/604660487.db2.gz PSCNQVDMYXJTQS-SNVBAGLBSA-N -1 0 319.321 -0.233 20 0 DBADRM CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828103085 604663033 /nfs/dbraw/zinc/66/30/33/604663033.db2.gz YKUMNKFDXIBUFF-VIFPVBQESA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCOC2(CCOCC2)C1)C(=O)[O-] ZINC000827547486 604663791 /nfs/dbraw/zinc/66/37/91/604663791.db2.gz STSQXBAHAODAIU-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000829721581 604663878 /nfs/dbraw/zinc/66/38/78/604663878.db2.gz BDYIGQOIJVHJRU-GARJFASQSA-N -1 0 317.411 -0.083 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCO1 ZINC000825336441 604667053 /nfs/dbraw/zinc/66/70/53/604667053.db2.gz SPAHDTUCQBXIDK-SCZZXKLOSA-N -1 0 310.310 -0.723 20 0 DBADRM CN(CC(=O)N1CCC[C@H]1CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000830665675 604667427 /nfs/dbraw/zinc/66/74/27/604667427.db2.gz LDSLAHNMJVIBLO-WDEREUQCSA-N -1 0 318.395 -0.429 20 0 DBADRM CCn1nc(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)ccc1=O ZINC000827711177 604670223 /nfs/dbraw/zinc/67/02/23/604670223.db2.gz LXYODLVIBZIVSH-MWLCHTKSSA-N -1 0 324.337 -0.240 20 0 DBADRM CCn1nc(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)ccc1=O ZINC000827711175 604670323 /nfs/dbraw/zinc/67/03/23/604670323.db2.gz LXYODLVIBZIVSH-GXSJLCMTSA-N -1 0 324.337 -0.240 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CCN(C)C(=O)C1)c1cn(CC(=O)[O-])nn1 ZINC000827828196 604673172 /nfs/dbraw/zinc/67/31/72/604673172.db2.gz XISHPRHDEKDFMG-DTWKUNHWSA-N -1 0 310.310 -0.165 20 0 DBADRM CCCC(=O)NCC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000826705481 604674373 /nfs/dbraw/zinc/67/43/73/604674373.db2.gz ANOMYGUXNUTSNT-UWVGGRQHSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCO1 ZINC000825328981 604679531 /nfs/dbraw/zinc/67/95/31/604679531.db2.gz XYWXSQDYECOKIB-GMSGAONNSA-N -1 0 310.310 -0.389 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828426708 604681731 /nfs/dbraw/zinc/68/17/31/604681731.db2.gz NUSZPVAMPGHTIH-SNVBAGLBSA-N -1 0 323.353 -0.048 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)C1 ZINC000827228325 604682073 /nfs/dbraw/zinc/68/20/73/604682073.db2.gz NEAWWKXIYNKFFL-TUAOUCFPSA-N -1 0 315.370 -0.409 20 0 DBADRM CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833687791 604686199 /nfs/dbraw/zinc/68/61/99/604686199.db2.gz USWNUGVIVCHCNE-UHFFFAOYSA-N -1 0 301.324 -0.512 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cccn(C)c2=O)CCO1 ZINC000825335785 604688871 /nfs/dbraw/zinc/68/88/71/604688871.db2.gz PJBFYVPBTOVMSU-MWLCHTKSSA-N -1 0 309.322 -0.118 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000833469852 604689036 /nfs/dbraw/zinc/68/90/36/604689036.db2.gz ZDNAPRNHBVSHKU-GHMZBOCLSA-N -1 0 303.359 -0.912 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000831383013 604690009 /nfs/dbraw/zinc/69/00/09/604690009.db2.gz SELXEQFMFZAICT-UWVGGRQHSA-N -1 0 320.367 -0.694 20 0 DBADRM C[C@@H](OC(=O)c1cc(C(N)=O)cn1C)c1cn(CC(=O)[O-])nn1 ZINC000827844928 604692759 /nfs/dbraw/zinc/69/27/59/604692759.db2.gz TUIYYJFAGJAORN-SSDOTTSWSA-N -1 0 321.293 -0.282 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(N)=O ZINC000833471400 604693389 /nfs/dbraw/zinc/69/33/89/604693389.db2.gz QZDOWPZTTZVKIN-SECBINFHSA-N -1 0 301.324 -0.432 20 0 DBADRM COC(=O)NCCC(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1 ZINC000831206709 604696901 /nfs/dbraw/zinc/69/69/01/604696901.db2.gz MYEYDXIZDLZVKY-ZETCQYMHSA-N -1 0 300.271 -0.287 20 0 DBADRM CC(C)(C)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(N)=O ZINC000833446638 604697169 /nfs/dbraw/zinc/69/71/69/604697169.db2.gz GZVGHPAGSOELAD-SECBINFHSA-N -1 0 315.351 -0.042 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2CSC(=O)N2)CCO1 ZINC000825294878 604697881 /nfs/dbraw/zinc/69/78/81/604697881.db2.gz PKDUQDSAHVTMFC-FXQIFTODSA-N -1 0 303.340 -0.305 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2CSC(=O)N2)CCO1 ZINC000825294879 604698128 /nfs/dbraw/zinc/69/81/28/604698128.db2.gz PKDUQDSAHVTMFC-RNJXMRFFSA-N -1 0 303.340 -0.305 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000833115210 604699549 /nfs/dbraw/zinc/69/95/49/604699549.db2.gz DOPXOFWJIJQOBA-GFCCVEGCSA-N -1 0 322.317 -0.246 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)OCCc2cn(CC(=O)[O-])nn2)C1 ZINC000825828901 604700318 /nfs/dbraw/zinc/70/03/18/604700318.db2.gz QSQKLWWIIWTSJQ-AWEZNQCLSA-N -1 0 324.337 -0.293 20 0 DBADRM C[C@H](CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)N1CCOCC1 ZINC000824922557 604700358 /nfs/dbraw/zinc/70/03/58/604700358.db2.gz QKPPXSXPMADFKW-VXGBXAGGSA-N -1 0 315.370 -0.408 20 0 DBADRM CNC(=O)[C@H]1CCCCN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828532237 604701263 /nfs/dbraw/zinc/70/12/63/604701263.db2.gz OHFLEMUUZGHEHC-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)nc1C ZINC000395295925 604702814 /nfs/dbraw/zinc/70/28/14/604702814.db2.gz DULQEGRTGHQTKA-UHFFFAOYSA-N -1 0 317.367 -0.188 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831046892 604705081 /nfs/dbraw/zinc/70/50/81/604705081.db2.gz WMQIWFPODGRMOK-GHMZBOCLSA-N -1 0 323.353 -0.100 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826949174 604707434 /nfs/dbraw/zinc/70/74/34/604707434.db2.gz KTAZSXLBNVUKBR-BBBLOLIVSA-N -1 0 316.358 -0.293 20 0 DBADRM CCCCN(CC(N)=O)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000826829412 604708351 /nfs/dbraw/zinc/70/83/51/604708351.db2.gz AYNXHNIFAWJFCS-JTQLQIEISA-N -1 0 301.343 -0.131 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CCSc1nnnn1C ZINC000829949212 604713351 /nfs/dbraw/zinc/71/33/51/604713351.db2.gz YXQJYMHDEPSNKW-MRVPVSSYSA-N -1 0 317.371 -0.360 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)Cc1nc2ncccn2n1 ZINC000829961965 604715720 /nfs/dbraw/zinc/71/57/20/604715720.db2.gz WYRUUWYOSVMJEW-VIFPVBQESA-N -1 0 307.310 -0.385 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccn(C)c(=O)c2)CCO1 ZINC000825333811 604719623 /nfs/dbraw/zinc/71/96/23/604719623.db2.gz ACGSQQZXDJEEJK-MWLCHTKSSA-N -1 0 309.322 -0.118 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)CCO1 ZINC000825333810 604719694 /nfs/dbraw/zinc/71/96/94/604719694.db2.gz ACGSQQZXDJEEJK-KOLCDFICSA-N -1 0 309.322 -0.118 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825015352 604726121 /nfs/dbraw/zinc/72/61/21/604726121.db2.gz DZPFXOGXSVKVQR-UTLUCORTSA-N -1 0 322.383 -0.449 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCN2C(=O)CSC2=O)C1 ZINC000831689846 604728209 /nfs/dbraw/zinc/72/82/09/604728209.db2.gz YXEZBLKMBFZLIF-SSDOTTSWSA-N -1 0 317.323 -0.823 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CN2CSCC2=O)CCO1 ZINC000825302568 604734787 /nfs/dbraw/zinc/73/47/87/604734787.db2.gz RFERBAICZXDDGD-RKDXNWHRSA-N -1 0 317.367 -0.597 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CC1SC(=N)NC1=O ZINC000829947192 604735947 /nfs/dbraw/zinc/73/59/47/604735947.db2.gz LDUKWIIVWWIFRA-BQBZGAKWSA-N -1 0 303.340 -0.509 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CC1SC(=N)NC1=O ZINC000829947195 604735959 /nfs/dbraw/zinc/73/59/59/604735959.db2.gz LDUKWIIVWWIFRA-RQJHMYQMSA-N -1 0 303.340 -0.509 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN2CCN(C)CC2)CCO1 ZINC000825300321 604736052 /nfs/dbraw/zinc/73/60/52/604736052.db2.gz CWRGHZWUBXILSO-RYUDHWBXSA-N -1 0 314.386 -0.883 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)c1nnc2n1CCC2 ZINC000825096097 604741663 /nfs/dbraw/zinc/74/16/63/604741663.db2.gz YXEIVJSKEOTUOQ-RKDXNWHRSA-N -1 0 309.326 -0.220 20 0 DBADRM CCc1[nH]c(C(=O)N2CCOC[C@@H]2C(N)=O)c(C)c1C(=O)[O-] ZINC000833666644 604743323 /nfs/dbraw/zinc/74/33/23/604743323.db2.gz BZORXPNRRSRSQX-SECBINFHSA-N -1 0 309.322 -0.090 20 0 DBADRM C[C@@H](C(=O)NC1CN(C(=O)[O-])C1)N1C(=O)NC2(CCCC2)C1=O ZINC000738626129 604751436 /nfs/dbraw/zinc/75/14/36/604751436.db2.gz TXALHEHOUDCIJA-QMMMGPOBSA-N -1 0 324.337 -0.282 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000823562566 604754165 /nfs/dbraw/zinc/75/41/65/604754165.db2.gz WYTMYELFBJKLLR-UHFFFAOYSA-N -1 0 313.310 -0.980 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827029361 604757464 /nfs/dbraw/zinc/75/74/64/604757464.db2.gz JRLVDGSVYCEAEQ-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)C1(NC(=O)[O-])CC1 ZINC000824372732 604760082 /nfs/dbraw/zinc/76/00/82/604760082.db2.gz CKWRNTDPJUVDFW-SSDOTTSWSA-N -1 0 301.299 -0.048 20 0 DBADRM CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)C1(NC(=O)[O-])CC1 ZINC000824372733 604760495 /nfs/dbraw/zinc/76/04/95/604760495.db2.gz CKWRNTDPJUVDFW-ZETCQYMHSA-N -1 0 301.299 -0.048 20 0 DBADRM CN(C)C(=O)CCN1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000827954498 604764316 /nfs/dbraw/zinc/76/43/16/604764316.db2.gz UZOAIXZZAAGPSG-UHFFFAOYSA-N -1 0 300.359 -0.781 20 0 DBADRM NS(=O)(=O)Cc1ccc(C(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000740336654 604765431 /nfs/dbraw/zinc/76/54/31/604765431.db2.gz AYNJOLHOQYGJPL-UHFFFAOYSA-N -1 0 313.335 -0.433 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)NC1CN(C(=O)[O-])C1)[nH]c2=O ZINC000740296354 604772444 /nfs/dbraw/zinc/77/24/44/604772444.db2.gz HBBKBVBBGLIAHS-UHFFFAOYSA-N -1 0 320.309 -0.520 20 0 DBADRM CCOC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827328055 604773372 /nfs/dbraw/zinc/77/33/72/604773372.db2.gz MUAUKKAOZCXGMY-RKDXNWHRSA-N -1 0 303.315 -0.384 20 0 DBADRM O=C([O-])N1CCC[C@@H](Nc2ccc(C(=O)NCCO)nn2)C1 ZINC000831693111 604774476 /nfs/dbraw/zinc/77/44/76/604774476.db2.gz HZTNFKRPOFPSBV-SECBINFHSA-N -1 0 309.326 -0.247 20 0 DBADRM C[C@@H](CC(=O)[O-])S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C ZINC000827386831 604775362 /nfs/dbraw/zinc/77/53/62/604775362.db2.gz YHCYCZJWNOXQRX-QMMMGPOBSA-N -1 0 322.383 -0.705 20 0 DBADRM C[C@H](CC(=O)[O-])S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C ZINC000827386830 604775608 /nfs/dbraw/zinc/77/56/08/604775608.db2.gz YHCYCZJWNOXQRX-MRVPVSSYSA-N -1 0 322.383 -0.705 20 0 DBADRM Cn1nnc2cc(CN3CCNC(=O)[C@@H]3CC(=O)[O-])ccc21 ZINC000833061424 604777173 /nfs/dbraw/zinc/77/71/73/604777173.db2.gz CZEAAXOXSJMCAN-LBPRGKRZSA-N -1 0 303.322 -0.257 20 0 DBADRM Cn1nnc2cc(CN3CCNC(=O)[C@H]3CC(=O)[O-])ccc21 ZINC000833061421 604777344 /nfs/dbraw/zinc/77/73/44/604777344.db2.gz CZEAAXOXSJMCAN-GFCCVEGCSA-N -1 0 303.322 -0.257 20 0 DBADRM O=C([O-])N1CC(NC(=O)c2cn(Cc3ccccn3)nn2)C1 ZINC000831610290 604777638 /nfs/dbraw/zinc/77/76/38/604777638.db2.gz JTLCWCBLIJXPJZ-UHFFFAOYSA-N -1 0 302.294 -0.187 20 0 DBADRM O=C([O-])Cn1cc(CCn2nnc3ccccc3c2=O)nn1 ZINC000833273319 604784151 /nfs/dbraw/zinc/78/41/51/604784151.db2.gz IRCPZOCXLWFVGH-UHFFFAOYSA-N -1 0 300.278 -0.290 20 0 DBADRM CNC(=O)C1CCC(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828530788 604785274 /nfs/dbraw/zinc/78/52/74/604785274.db2.gz APWVOWQHUWHGFL-VQXHTEKXSA-N -1 0 313.354 -0.214 20 0 DBADRM CNC(=O)C1CCC(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828530786 604785591 /nfs/dbraw/zinc/78/55/91/604785591.db2.gz APWVOWQHUWHGFL-ILDUYXDCSA-N -1 0 313.354 -0.214 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)c2cnc(C(=O)[O-])cn2)C1=O ZINC000263273850 604787165 /nfs/dbraw/zinc/78/71/65/604787165.db2.gz MSEMXRSVVALVGU-ZETCQYMHSA-N -1 0 306.278 -0.560 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000830894589 604803035 /nfs/dbraw/zinc/80/30/35/604803035.db2.gz UPHKKLWWWDQPKA-MNOVXSKESA-N -1 0 323.353 -0.214 20 0 DBADRM CCc1nnc2n1C[C@@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000827655957 604803128 /nfs/dbraw/zinc/80/31/28/604803128.db2.gz MSWIJVMLVZHJPK-UWVGGRQHSA-N -1 0 323.353 -0.350 20 0 DBADRM CCc1nnc2n1C[C@@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000827655958 604803326 /nfs/dbraw/zinc/80/33/26/604803326.db2.gz MSWIJVMLVZHJPK-VHSXEESVSA-N -1 0 323.353 -0.350 20 0 DBADRM Cc1nnc2n1C[C@@H](NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000830894590 604803374 /nfs/dbraw/zinc/80/33/74/604803374.db2.gz UPHKKLWWWDQPKA-QWRGUYRKSA-N -1 0 323.353 -0.214 20 0 DBADRM CN(C)C(=O)[C@H]1CSCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827954466 604806193 /nfs/dbraw/zinc/80/61/93/604806193.db2.gz TWYONDTWQUORAC-RKDXNWHRSA-N -1 0 317.367 -0.645 20 0 DBADRM CC(CO)(CO)C(=O)OCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833518721 604812135 /nfs/dbraw/zinc/81/21/35/604812135.db2.gz LEBFAMKYSZRNQK-UHFFFAOYSA-N -1 0 311.290 -0.143 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@H](C3OCCO3)C2)C1 ZINC000832049625 604813077 /nfs/dbraw/zinc/81/30/77/604813077.db2.gz HJYXUKLXEPRHIH-QWRGUYRKSA-N -1 0 314.338 -0.023 20 0 DBADRM NC(=O)c1cccc(CCNC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831233419 604814979 /nfs/dbraw/zinc/81/49/79/604814979.db2.gz DQKSQHRWYHEHBU-GFCCVEGCSA-N -1 0 321.333 -0.177 20 0 DBADRM NC(=O)CC[C@@H]1CCCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831183959 604816583 /nfs/dbraw/zinc/81/65/83/604816583.db2.gz CQYKTBVNVRPWNT-WDEREUQCSA-N -1 0 313.354 -0.131 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000825176769 604816795 /nfs/dbraw/zinc/81/67/95/604816795.db2.gz BKLIGSMROSCAKX-RYUDHWBXSA-N -1 0 315.370 -0.408 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N(CC(=O)[O-])CC(=O)OC)C1 ZINC000828557360 604824843 /nfs/dbraw/zinc/82/48/43/604824843.db2.gz JPFABTBKBRJIAG-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM CC(C)[C@@H]1C(=O)NCCN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824156352 604825418 /nfs/dbraw/zinc/82/54/18/604825418.db2.gz FCRAQYPRUJGWJZ-ZYHUDNBSSA-N -1 0 313.354 -0.262 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000827289830 604828775 /nfs/dbraw/zinc/82/87/75/604828775.db2.gz BIPIMSSJCIESKI-SECBINFHSA-N -1 0 315.351 -0.413 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCC3(C2)OCCO3)C1 ZINC000832059751 604831338 /nfs/dbraw/zinc/83/13/38/604831338.db2.gz CBYHGVNTKJAMRA-SNVBAGLBSA-N -1 0 300.311 -0.269 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)C[C@H]1COC(=O)C1 ZINC000828312725 604834819 /nfs/dbraw/zinc/83/48/19/604834819.db2.gz REFRQWRXJLVGPO-LLVKDONJSA-N -1 0 313.354 -0.306 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)[C@H]2CCSC2)CC1 ZINC000831616510 604839869 /nfs/dbraw/zinc/83/98/69/604839869.db2.gz YKFDRDPTHHYMLR-VIFPVBQESA-N -1 0 301.368 -0.322 20 0 DBADRM CCc1nnc2n1CCN(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)C2 ZINC000827656100 604840700 /nfs/dbraw/zinc/84/07/00/604840700.db2.gz OTBISIRLHLJBNQ-JTQLQIEISA-N -1 0 323.353 -0.048 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000825527108 604842535 /nfs/dbraw/zinc/84/25/35/604842535.db2.gz AUQMXYAQLGXVNS-NWDGAFQWSA-N -1 0 315.370 -0.720 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCCOC[C@@H]1CCOC1 ZINC000831380568 604853880 /nfs/dbraw/zinc/85/38/80/604853880.db2.gz FMFVHQRBBDPMHZ-NEPJUHHUSA-N -1 0 316.354 -0.075 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000825015949 604856809 /nfs/dbraw/zinc/85/68/09/604856809.db2.gz LEGXDBMMRYZGOV-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM COC1(C(=O)N[C@@H]2CC[S@@](=O)C2)CCN(C(=O)[O-])CC1 ZINC000828855991 604865736 /nfs/dbraw/zinc/86/57/36/604865736.db2.gz JUWSZQCMASBNFG-GSDQLPOLSA-N -1 0 304.368 -0.217 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCCOC[C@H]2CCOC2)C1 ZINC000831680322 604868229 /nfs/dbraw/zinc/86/82/29/604868229.db2.gz GMMDEXWDSSGNFX-VXGBXAGGSA-N -1 0 316.354 -0.075 20 0 DBADRM CNC(=O)CCNC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828537203 604877030 /nfs/dbraw/zinc/87/70/30/604877030.db2.gz DGCSVBMUUOKNDP-BDAKNGLRSA-N -1 0 316.358 -0.075 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)CCc1cn(CC(=O)[O-])nn1 ZINC000833407272 604877673 /nfs/dbraw/zinc/87/76/73/604877673.db2.gz JNEIUSMNYBSKAH-ZJUUUORDSA-N -1 0 318.399 -0.341 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCCS(=O)(=O)CC2)C1 ZINC000832061426 604879730 /nfs/dbraw/zinc/87/97/30/604879730.db2.gz YPBMYXMCMWPTDA-JTQLQIEISA-N -1 0 320.367 -0.598 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCO[C@H](Cn3cccn3)C2)C1 ZINC000832048959 604891635 /nfs/dbraw/zinc/89/16/35/604891635.db2.gz BKMFSCIVSKBGNV-RYUDHWBXSA-N -1 0 324.337 -0.511 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000825002579 604892004 /nfs/dbraw/zinc/89/20/04/604892004.db2.gz UVPMEFVYLGOZHK-OUAUKWLOSA-N -1 0 302.327 -0.325 20 0 DBADRM CC[S@@](=O)CCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833667204 604892796 /nfs/dbraw/zinc/89/27/96/604892796.db2.gz HFSHDUYWISRUBO-WVDJIFEKSA-N -1 0 306.384 -0.378 20 0 DBADRM NC(=O)c1ccc(CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000831223281 604893731 /nfs/dbraw/zinc/89/37/31/604893731.db2.gz YWQXXKWJXYWHLJ-JTQLQIEISA-N -1 0 322.321 -0.434 20 0 DBADRM COc1ccc([C@H](O)CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000829310963 604895324 /nfs/dbraw/zinc/89/53/24/604895324.db2.gz KLTFQVBWGKUSNM-WCFLWFBJSA-N -1 0 324.333 -0.042 20 0 DBADRM Cn1[nH]cnc1=NC(=O)C1(NC(=O)[O-])Cc2ccccc2C1 ZINC000831059776 604897634 /nfs/dbraw/zinc/89/76/34/604897634.db2.gz XALBTDCIMIXEAP-UHFFFAOYSA-N -1 0 301.306 -0.019 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000829669110 604901368 /nfs/dbraw/zinc/90/13/68/604901368.db2.gz KZFUWHJKVTVTFR-SNVBAGLBSA-N -1 0 320.367 -0.599 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)N[C@@H]1CCc2ncnn2C1 ZINC000831383750 604904895 /nfs/dbraw/zinc/90/48/95/604904895.db2.gz WYDWQYLLHWRHDD-NXEZZACHSA-N -1 0 309.326 -0.522 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000831009008 604908142 /nfs/dbraw/zinc/90/81/42/604908142.db2.gz HRZRANISHDOUEY-VIFPVBQESA-N -1 0 309.326 -0.135 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833492154 604908373 /nfs/dbraw/zinc/90/83/73/604908373.db2.gz RAASEJRPDWWFNV-GFCCVEGCSA-N -1 0 321.395 -0.259 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)C[C@H](C)N1C(=O)[O-] ZINC000825969115 604909040 /nfs/dbraw/zinc/90/90/40/604909040.db2.gz MHTHLKAZAMCMLF-IUCAKERBSA-N -1 0 309.326 -0.042 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)C[C@@H](C)N1C(=O)[O-] ZINC000825969116 604909398 /nfs/dbraw/zinc/90/93/98/604909398.db2.gz MHTHLKAZAMCMLF-RKDXNWHRSA-N -1 0 309.326 -0.042 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[C@H]1NC(=O)[O-] ZINC000825969715 604911679 /nfs/dbraw/zinc/91/16/79/604911679.db2.gz RKWZSKPLBVOBCC-WCBMZHEXSA-N -1 0 309.326 -0.137 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[C@H]1NC(=O)[O-] ZINC000825969712 604911851 /nfs/dbraw/zinc/91/18/51/604911851.db2.gz RKWZSKPLBVOBCC-PSASIEDQSA-N -1 0 309.326 -0.137 20 0 DBADRM COc1ncc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1C(N)=O ZINC000829659597 604922132 /nfs/dbraw/zinc/92/21/32/604922132.db2.gz DHFFMUNDTSXFJN-IONNQARKSA-N -1 0 324.293 -0.759 20 0 DBADRM COCCN1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C[C@H]1C ZINC000828992992 604925265 /nfs/dbraw/zinc/92/52/65/604925265.db2.gz UGJLZZVOAXWNEH-VXGBXAGGSA-N -1 0 315.370 -0.456 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NC[C@]2(CCO)CCOC2)C1 ZINC000831896304 604933994 /nfs/dbraw/zinc/93/39/94/604933994.db2.gz UDITZXPSYQMMPT-STQMWFEESA-N -1 0 304.318 -0.016 20 0 DBADRM CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)C(=O)[O-])c1=O ZINC000739560748 604939988 /nfs/dbraw/zinc/93/99/88/604939988.db2.gz FYSMAZICGMGNKV-VIFPVBQESA-N -1 0 319.317 -0.228 20 0 DBADRM CCN(CC)C(=O)CN1CCN(C(=O)[C@H](C)NC(=O)[O-])CC1 ZINC000833653953 604942924 /nfs/dbraw/zinc/94/29/24/604942924.db2.gz RMFJJRJTWABAHA-NSHDSACASA-N -1 0 314.386 -0.345 20 0 DBADRM NS(=O)(=O)CCCNC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833088833 604944957 /nfs/dbraw/zinc/94/49/57/604944957.db2.gz VVVUXHBNIINOLT-UHFFFAOYSA-N -1 0 304.299 -0.068 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000826094451 604946633 /nfs/dbraw/zinc/94/66/33/604946633.db2.gz YQBAYTLOOMWIIO-RKDXNWHRSA-N -1 0 306.340 -0.989 20 0 DBADRM CSC[C@](C)(O)CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829716780 604947079 /nfs/dbraw/zinc/94/70/79/604947079.db2.gz ORYYFIZNBMNANW-BXKDBHETSA-N -1 0 306.384 -0.015 20 0 DBADRM O=C([O-])N1CC(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000740401590 604951443 /nfs/dbraw/zinc/95/14/43/604951443.db2.gz XTPULXCDVAZKMA-UHFFFAOYSA-N -1 0 304.262 -0.692 20 0 DBADRM CC1N=NC(=S)N1CCNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000830892739 604951587 /nfs/dbraw/zinc/95/15/87/604951587.db2.gz BQRKTJAIIUZKCQ-MRVPVSSYSA-N -1 0 315.355 -0.630 20 0 DBADRM O=C([O-])N1CC(NC(=O)COCC(=O)NCc2cccnc2)C1 ZINC000740381775 604953429 /nfs/dbraw/zinc/95/34/29/604953429.db2.gz LFSZVVFNEKCXOL-UHFFFAOYSA-N -1 0 322.321 -0.807 20 0 DBADRM COCCc1cc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)n(C)n1 ZINC000818545540 604962986 /nfs/dbraw/zinc/96/29/86/604962986.db2.gz ZLDAEPTUPJBLOL-JTQLQIEISA-N -1 0 312.326 -0.074 20 0 DBADRM CCc1nc(CN2CCN(C(=O)[C@H](C)NC(=O)[O-])CC2)no1 ZINC000739551748 604968695 /nfs/dbraw/zinc/96/86/95/604968695.db2.gz HTLRNPZOSLFUKJ-VIFPVBQESA-N -1 0 311.342 -0.068 20 0 DBADRM CC(C)(C)NC(=O)NC(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833431401 604975712 /nfs/dbraw/zinc/97/57/12/604975712.db2.gz VTEKQUKVSNDNEW-LLVKDONJSA-N -1 0 315.370 -0.232 20 0 DBADRM C[C@@H](C(=O)Nc1ncccn1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833412647 604977461 /nfs/dbraw/zinc/97/74/61/604977461.db2.gz WFXDPISBXRXTOP-GXSJLCMTSA-N -1 0 308.338 -0.039 20 0 DBADRM CC(C)CNC(=O)NC(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833487936 604981687 /nfs/dbraw/zinc/98/16/87/604981687.db2.gz BLKWCOKACSJUIY-GFCCVEGCSA-N -1 0 315.370 -0.374 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000833460901 604995685 /nfs/dbraw/zinc/99/56/85/604995685.db2.gz NVOWFVACGYVQQK-YFKPBYRVSA-N -1 0 302.299 -0.461 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000833555039 604998034 /nfs/dbraw/zinc/99/80/34/604998034.db2.gz OTJZBPMLQWMDHA-YFKPBYRVSA-N -1 0 307.253 -0.459 20 0 DBADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000833414756 605001864 /nfs/dbraw/zinc/00/18/64/605001864.db2.gz NZHISUGFEUAKIM-BDAKNGLRSA-N -1 0 311.338 -0.066 20 0 DBADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000833414773 605001877 /nfs/dbraw/zinc/00/18/77/605001877.db2.gz NZHISUGFEUAKIM-IUCAKERBSA-N -1 0 311.338 -0.066 20 0 DBADRM CC(C)C(=O)NCCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000833466661 605014107 /nfs/dbraw/zinc/01/41/07/605014107.db2.gz FNOLAVDMPSHWAO-UHFFFAOYSA-N -1 0 321.380 -0.108 20 0 DBADRM CC(=O)NCCNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000833397125 605014332 /nfs/dbraw/zinc/01/43/32/605014332.db2.gz GNYOHLOYUZKOKW-UHFFFAOYSA-N -1 0 321.742 -0.152 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCSC[C@@H]1C(N)=O)C(=O)[O-] ZINC000833638891 605016695 /nfs/dbraw/zinc/01/66/95/605016695.db2.gz LGORRXONTUTCLV-IQJOONFLSA-N -1 0 317.411 -0.495 20 0 DBADRM CC(=O)N(CCC(=O)NC[C@H](O)C(=O)[O-])Cc1ccccc1 ZINC000833389051 605025350 /nfs/dbraw/zinc/02/53/50/605025350.db2.gz BSLWQONXPGQHPB-ZDUSSCGKSA-N -1 0 308.334 -0.013 20 0 DBADRM CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)CCCC(=O)[O-] ZINC000713959545 605027752 /nfs/dbraw/zinc/02/77/52/605027752.db2.gz FYLCEEVPQCXBTC-UHFFFAOYSA-N -1 0 315.413 -0.064 20 0 DBADRM CC(C)C[C@H](CO)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000040777379 605030235 /nfs/dbraw/zinc/03/02/35/605030235.db2.gz WTKOEGCDWDUBFT-SECBINFHSA-N -1 0 305.356 -0.347 20 0 DBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@H](C)CO)c1 ZINC000833714919 605030494 /nfs/dbraw/zinc/03/04/94/605030494.db2.gz KYBCMMJEIHAYSV-SSDOTTSWSA-N -1 0 317.319 -0.170 20 0 DBADRM CN1CC[C@@H](NS(=O)(=O)c2csnc2C(=O)[O-])C1=O ZINC000833698791 605030506 /nfs/dbraw/zinc/03/05/06/605030506.db2.gz WHMADWQCKCUFLL-RXMQYKEDSA-N -1 0 305.337 -0.650 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC000833418506 605031442 /nfs/dbraw/zinc/03/14/42/605031442.db2.gz LNHICGLJEWNQEW-UHFFFAOYSA-N -1 0 320.349 -0.199 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC2(O)CCOCC2)c[nH]1 ZINC000162573956 605031679 /nfs/dbraw/zinc/03/16/79/605031679.db2.gz MKPGSIQTMZOIMW-UHFFFAOYSA-N -1 0 304.324 -0.467 20 0 DBADRM COC(=O)c1cncc(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)c1 ZINC000833717988 605031762 /nfs/dbraw/zinc/03/17/62/605031762.db2.gz XKDPPSLBFXDUQY-SECBINFHSA-N -1 0 310.262 -0.386 20 0 DBADRM C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833592502 605040730 /nfs/dbraw/zinc/04/07/30/605040730.db2.gz MKZAYRYFGPDEBZ-ZCFIWIBFSA-N -1 0 319.364 -0.260 20 0 DBADRM CC(=O)N1CCOC[C@H]1C(=O)NCCSCCC(=O)[O-] ZINC000833391735 605045070 /nfs/dbraw/zinc/04/50/70/605045070.db2.gz OLHFGTDLHMVYTK-JTQLQIEISA-N -1 0 304.368 -0.442 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC[S@@](C)=O ZINC000833627696 605053963 /nfs/dbraw/zinc/05/39/63/605053963.db2.gz ZIKTULAKDCIZTA-WVDJIFEKSA-N -1 0 305.400 -0.445 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CC[C@H](NC(=O)[O-])C1)C(C)C ZINC000739805666 605063858 /nfs/dbraw/zinc/06/38/58/605063858.db2.gz PSINJRJMVKLTMI-ONGXEEELSA-N -1 0 301.343 -0.358 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000740028010 605066671 /nfs/dbraw/zinc/06/66/71/605066671.db2.gz ALBBKFZANARGJG-QMMMGPOBSA-N -1 0 310.310 -0.003 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000831903413 605075665 /nfs/dbraw/zinc/07/56/65/605075665.db2.gz XBQGCPXNTQDEAL-KWQFWETISA-N -1 0 308.331 -0.228 20 0 DBADRM CCOC(=O)N(C)CCOC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827320759 605076422 /nfs/dbraw/zinc/07/64/22/605076422.db2.gz OUKLFDRWIIWMEU-SECBINFHSA-N -1 0 304.299 -0.003 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NC[C@H]1CCCS1(=O)=O ZINC000831380876 605077447 /nfs/dbraw/zinc/07/74/47/605077447.db2.gz HPQGJTCYBQNUOB-VHSXEESVSA-N -1 0 320.367 -0.551 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O ZINC000827539337 605079384 /nfs/dbraw/zinc/07/93/84/605079384.db2.gz RQGHQXZUVLJYMJ-IUCAKERBSA-N -1 0 315.326 -0.558 20 0 DBADRM C[C@H](C(=O)NC[C@H](O)C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000833403605 605085873 /nfs/dbraw/zinc/08/58/73/605085873.db2.gz BDCBYYCDNZVXLI-IMSYWVGJSA-N -1 0 312.322 -0.888 20 0 DBADRM CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000829665159 605087065 /nfs/dbraw/zinc/08/70/65/605087065.db2.gz RMAOBZYOTNZDQQ-BBBLOLIVSA-N -1 0 321.351 -0.126 20 0 DBADRM CC(=O)N1CC[C@@H](COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823549692 605087420 /nfs/dbraw/zinc/08/74/20/605087420.db2.gz IWSMFEMPSBDYEO-MNOVXSKESA-N -1 0 300.311 -0.223 20 0 DBADRM CC(=O)N[C@H](CC(=O)NC[C@H](O)C(=O)[O-])c1cccs1 ZINC000090261769 605088781 /nfs/dbraw/zinc/08/87/81/605088781.db2.gz LVZVRQLIDWBDOT-BDAKNGLRSA-N -1 0 300.336 -0.123 20 0 DBADRM Cc1cc(COC(=O)CN2CCN(C(=O)[O-])CC2=O)n(C)n1 ZINC000830044551 605089649 /nfs/dbraw/zinc/08/96/49/605089649.db2.gz IIKUFLVDBTZEDW-UHFFFAOYSA-N -1 0 310.310 -0.406 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC000833440581 605090648 /nfs/dbraw/zinc/09/06/48/605090648.db2.gz CUSQZLBDXRSATH-DTWKUNHWSA-N -1 0 318.326 -0.816 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC000833440584 605090846 /nfs/dbraw/zinc/09/08/46/605090846.db2.gz CUSQZLBDXRSATH-IUCAKERBSA-N -1 0 318.326 -0.816 20 0 DBADRM CC(C)CNC(=O)N1CCC[C@H](C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC000833487236 605092448 /nfs/dbraw/zinc/09/24/48/605092448.db2.gz HHJUMTCWUIEBCK-QWRGUYRKSA-N -1 0 315.370 -0.374 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC(C)(C)NC(=O)[O-])c(=O)n(C)c1 ZINC000830090349 605094969 /nfs/dbraw/zinc/09/49/69/605094969.db2.gz SHJRWRBOOCRUNJ-UHFFFAOYSA-N -1 0 324.337 -0.205 20 0 DBADRM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC000833440422 605096035 /nfs/dbraw/zinc/09/60/35/605096035.db2.gz XEMPQBXKNMPNRK-IUCAKERBSA-N -1 0 302.327 -0.052 20 0 DBADRM C[C@H](C(=O)NCC1(C(=O)[O-])CCOCC1)N1C(=O)CCC1=O ZINC000833404161 605101326 /nfs/dbraw/zinc/10/13/26/605101326.db2.gz IBUWQNTYGIIHSE-SECBINFHSA-N -1 0 312.322 -0.479 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@H](NC(=O)[O-])C2)C1 ZINC000827248443 605110151 /nfs/dbraw/zinc/11/01/51/605110151.db2.gz AWWSNWUJKGEAAC-UWVGGRQHSA-N -1 0 313.358 -0.158 20 0 DBADRM C[C@H](CS(=O)(=O)CC(=O)N1CCOC[C@@H]1C1CC1)C(=O)[O-] ZINC000833519201 605116913 /nfs/dbraw/zinc/11/69/13/605116913.db2.gz NPIKZSYYZUMYCR-MWLCHTKSSA-N -1 0 319.379 -0.241 20 0 DBADRM C[C@@H](CS(=O)(=O)CC(=O)N1CCOC[C@@H]1C1CC1)C(=O)[O-] ZINC000833519197 605117032 /nfs/dbraw/zinc/11/70/32/605117032.db2.gz NPIKZSYYZUMYCR-GXSJLCMTSA-N -1 0 319.379 -0.241 20 0 DBADRM C[C@H](CS(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1)C(=O)[O-] ZINC000833519200 605117150 /nfs/dbraw/zinc/11/71/50/605117150.db2.gz NPIKZSYYZUMYCR-KOLCDFICSA-N -1 0 319.379 -0.241 20 0 DBADRM C[C@H]1CN(CC2(O)CCS(=O)(=O)CC2)CCN1C(=O)[O-] ZINC000826050517 605122351 /nfs/dbraw/zinc/12/23/51/605122351.db2.gz XYBHXIJIFVYDLL-JTQLQIEISA-N -1 0 306.384 -0.390 20 0 DBADRM CCc1ccc(C(=O)NC[C@H](O)C(=O)[O-])cc1S(C)(=O)=O ZINC000833669901 605140442 /nfs/dbraw/zinc/14/04/42/605140442.db2.gz LJMDWUMWFLAJDN-JTQLQIEISA-N -1 0 315.347 -0.172 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCC2(C3CC3)CC2)n(C)c1=O ZINC000826355498 607736781 /nfs/dbraw/zinc/73/67/81/607736781.db2.gz CCPUCRFFKAYVET-UHFFFAOYSA-N -1 0 317.353 -0.134 20 0 DBADRM CC(C)(CNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000833457093 605146773 /nfs/dbraw/zinc/14/67/73/605146773.db2.gz ADDGEIMPNGJHGB-VIFPVBQESA-N -1 0 321.399 -0.322 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](NC(=O)[O-])C1 ZINC000823687292 605161479 /nfs/dbraw/zinc/16/14/79/605161479.db2.gz WFSNPNBGZUQUQK-LPEHRKFASA-N -1 0 319.383 -0.980 20 0 DBADRM Cn1ccnc1CN1CCN(CN2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000833760246 605173844 /nfs/dbraw/zinc/17/38/44/605173844.db2.gz NCRJGPYSRXUZNF-GFCCVEGCSA-N -1 0 321.381 -0.572 20 0 DBADRM Cn1ccnc1CN1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000833760248 605174131 /nfs/dbraw/zinc/17/41/31/605174131.db2.gz NCRJGPYSRXUZNF-LBPRGKRZSA-N -1 0 321.381 -0.572 20 0 DBADRM Cn1c2ccccc2nc(Cn2nnnc2CNC(=O)[O-])c1=O ZINC000830964464 605175681 /nfs/dbraw/zinc/17/56/81/605175681.db2.gz SHHQRTFVRCRGBP-UHFFFAOYSA-N -1 0 315.293 -0.264 20 0 DBADRM O=C([O-])NCc1nnnn1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000832738617 605178473 /nfs/dbraw/zinc/17/84/73/605178473.db2.gz MSJDAFUEWBPDRA-VHSXEESVSA-N -1 0 324.341 -0.389 20 0 DBADRM O=C([O-])NCc1nnnn1Cc1nc(-c2ccccn2)no1 ZINC000832743904 605180389 /nfs/dbraw/zinc/18/03/89/605180389.db2.gz DJRNCRGWHQTNOI-UHFFFAOYSA-N -1 0 302.254 -0.066 20 0 DBADRM O=C([O-])NC[C@H]1CCN(C(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000832584153 605186983 /nfs/dbraw/zinc/18/69/83/605186983.db2.gz UCUNOUDLMOMGJI-NXEZZACHSA-N -1 0 319.383 -0.137 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)[C@@H]1CN(C)CCO1 ZINC000825094932 605201252 /nfs/dbraw/zinc/20/12/52/605201252.db2.gz VASNBNCNAZFWFV-DCAQKATOSA-N -1 0 301.343 -0.800 20 0 DBADRM COCCc1noc(COC(=O)[C@H]2CN(C(=O)[O-])CCO2)n1 ZINC000829030539 605201687 /nfs/dbraw/zinc/20/16/87/605201687.db2.gz OCRRXPZZIJFPMI-MRVPVSSYSA-N -1 0 315.282 -0.320 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CCS1(=O)=O ZINC000707246060 605203760 /nfs/dbraw/zinc/20/37/60/605203760.db2.gz BLCMKGWPIMNGMW-ZETCQYMHSA-N -1 0 323.348 -0.215 20 0 DBADRM CCCNC(=O)NC(=O)COC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000826925154 605205513 /nfs/dbraw/zinc/20/55/13/605205513.db2.gz CBIORGWKCJMWOO-MRVPVSSYSA-N -1 0 317.298 -0.856 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827250195 605205573 /nfs/dbraw/zinc/20/55/73/605205573.db2.gz RLXNAFVCXNADGF-HTQZYQBOSA-N -1 0 317.298 -0.857 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)CCO1 ZINC000829901629 605206593 /nfs/dbraw/zinc/20/65/93/605206593.db2.gz YNXGQYFIOYUGHC-NSHDSACASA-N -1 0 310.347 -0.159 20 0 DBADRM COCCCNC(=O)[C@H](C)OC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828950545 605210416 /nfs/dbraw/zinc/21/04/16/605210416.db2.gz LXQQNCSFHLBCBY-UWVGGRQHSA-N -1 0 318.326 -0.550 20 0 DBADRM CC(=O)N(C)c1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000833388556 605210568 /nfs/dbraw/zinc/21/05/68/605210568.db2.gz SSMMFPRIZSKHLZ-LLVKDONJSA-N -1 0 316.335 -0.607 20 0 DBADRM O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)NC1CCOCC1 ZINC000831497214 605212988 /nfs/dbraw/zinc/21/29/88/605212988.db2.gz ADJXYWBJZHVDBY-SNVBAGLBSA-N -1 0 316.310 -0.796 20 0 DBADRM CC(C)N1CC[C@@H](OC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000824363712 605217966 /nfs/dbraw/zinc/21/79/66/605217966.db2.gz WKJPJKFRZNJWNS-ZJUUUORDSA-N -1 0 300.311 -0.082 20 0 DBADRM CNC(=O)NC(=O)[C@@H](C)OC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828551523 605223070 /nfs/dbraw/zinc/22/30/70/605223070.db2.gz BKXQIZIZZGEWQP-SFYZADRCSA-N -1 0 317.298 -0.857 20 0 DBADRM C[C@H](NC(=O)[C@H]1CSCN1C(=O)[O-])[C@H]1CN(C)CCO1 ZINC000825093175 605224027 /nfs/dbraw/zinc/22/40/27/605224027.db2.gz MHJPKLIZNKKIEO-IVZWLZJFSA-N -1 0 303.384 -0.125 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)NCCCNC(=O)[O-])CC1 ZINC000827959750 605228196 /nfs/dbraw/zinc/22/81/96/605228196.db2.gz CLINQRFIEZJINF-UHFFFAOYSA-N -1 0 315.374 -0.941 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CCCN(C(=O)[O-])CC2)C1 ZINC000828704676 605231953 /nfs/dbraw/zinc/23/19/53/605231953.db2.gz MZMKLPKMOCJZLP-UHFFFAOYSA-N -1 0 300.315 -0.168 20 0 DBADRM CC(=O)N1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000823560768 605236811 /nfs/dbraw/zinc/23/68/11/605236811.db2.gz FWFRPEIGXSWEQS-LBPRGKRZSA-N -1 0 313.354 -0.164 20 0 DBADRM C[C@H](CC(=O)NN1CC(=O)NC1=O)C1CCN(C(=O)[O-])CC1 ZINC000824672502 605243642 /nfs/dbraw/zinc/24/36/42/605243642.db2.gz XUGPBTPLSXLOMV-MRVPVSSYSA-N -1 0 312.326 -0.014 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(C(=O)[O-])CC1 ZINC000823759827 605262449 /nfs/dbraw/zinc/26/24/49/605262449.db2.gz LVQYVPDEJKHMHV-SECBINFHSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000825055193 605267172 /nfs/dbraw/zinc/26/71/72/605267172.db2.gz JJKWWWLNTPBYAB-MNOVXSKESA-N -1 0 311.342 -0.058 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@H](CO)C(=O)[O-])C1 ZINC000833421146 605269001 /nfs/dbraw/zinc/26/90/01/605269001.db2.gz WIHZDOTWEURCCL-VHSXEESVSA-N -1 0 300.355 -0.167 20 0 DBADRM CCS(=O)(=O)CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000263304542 605273529 /nfs/dbraw/zinc/27/35/29/605273529.db2.gz VMZYPHRNVRNWCX-VIFPVBQESA-N -1 0 322.383 -0.847 20 0 DBADRM Cc1cc(CN(C)CC(=O)N2CCN(C(=O)[O-])CC2)nn1C ZINC000830036525 605273813 /nfs/dbraw/zinc/27/38/13/605273813.db2.gz SMMKXSDLUKYFBG-UHFFFAOYSA-N -1 0 309.370 -0.017 20 0 DBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1=O ZINC000833761060 605276247 /nfs/dbraw/zinc/27/62/47/605276247.db2.gz XGJJRYLENZVSAX-VWYCJHECSA-N -1 0 320.349 -0.252 20 0 DBADRM COC(=O)N1CC(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828704606 605295648 /nfs/dbraw/zinc/29/56/48/605295648.db2.gz MFFRYUPTRJJXCZ-SECBINFHSA-N -1 0 301.299 -0.678 20 0 DBADRM CC(C)[C@H](NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)C(N)=O ZINC000824129688 605301322 /nfs/dbraw/zinc/30/13/22/605301322.db2.gz RPFBUNCEABVBRJ-KOLCDFICSA-N -1 0 301.343 -0.229 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000833398099 605309646 /nfs/dbraw/zinc/30/96/46/605309646.db2.gz ZYWLDUFRWDXCPZ-NSHDSACASA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)CNC(=O)NC(=O)COC(=O)C=C1CN(C(=O)[O-])C1 ZINC000833796479 605313140 /nfs/dbraw/zinc/31/31/40/605313140.db2.gz MMUSVJKYHZCJJZ-UHFFFAOYSA-N -1 0 313.310 -0.069 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)CCOC2CN(C(=O)[O-])C2)cn1 ZINC000833947813 605313862 /nfs/dbraw/zinc/31/38/62/605313862.db2.gz UVOXIYOYHONWDH-NSHDSACASA-N -1 0 312.326 -0.661 20 0 DBADRM O=C([O-])N1CC(OCCC(=O)N2CCN3C(=O)OC[C@H]3C2)C1 ZINC000834072927 605313886 /nfs/dbraw/zinc/31/38/86/605313886.db2.gz INVIZVQTSIPTBQ-SECBINFHSA-N -1 0 313.310 -0.582 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000834194915 605335627 /nfs/dbraw/zinc/33/56/27/605335627.db2.gz PNJVDOYKOMOXGD-GFCCVEGCSA-N -1 0 321.333 -0.030 20 0 DBADRM Cn1ncc2c1CCC[C@H]2NC(=O)CNC(=O)CNC(=O)[O-] ZINC000833962492 605337960 /nfs/dbraw/zinc/33/79/60/605337960.db2.gz WDCWFJBEEAMIRG-SECBINFHSA-N -1 0 309.326 -0.703 20 0 DBADRM CN1CC[C@@H](OC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C1=O ZINC000828470782 605342192 /nfs/dbraw/zinc/34/21/92/605342192.db2.gz FYLMGKBWOSYRRM-NXEZZACHSA-N -1 0 300.311 -0.081 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCCC[C@@H]1C1OCCO1 ZINC000834195855 605342935 /nfs/dbraw/zinc/34/29/35/605342935.db2.gz WPEVVPDVGNQOOH-SECBINFHSA-N -1 0 315.326 -0.876 20 0 DBADRM CCc1nnc(CN2C(=O)N[C@@]3(CCN(C(=O)[O-])C3)C2=O)o1 ZINC000827647825 605343665 /nfs/dbraw/zinc/34/36/65/605343665.db2.gz FRRRQXMCAZUFIU-GFCCVEGCSA-N -1 0 309.282 -0.194 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000828533052 605347643 /nfs/dbraw/zinc/34/76/43/605347643.db2.gz YIYSNAYJDQRMND-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828533051 605347920 /nfs/dbraw/zinc/34/79/20/605347920.db2.gz YIYSNAYJDQRMND-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000834193948 605348535 /nfs/dbraw/zinc/34/85/35/605348535.db2.gz SFYYPRWARSDSCX-UHFFFAOYSA-N -1 0 309.326 -0.501 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC000834196606 605348606 /nfs/dbraw/zinc/34/86/06/605348606.db2.gz NVQRBPFYCCFLSX-UHFFFAOYSA-N -1 0 322.321 -0.724 20 0 DBADRM CCc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)CNC(=O)[O-] ZINC000833867640 605350006 /nfs/dbraw/zinc/35/00/06/605350006.db2.gz WKMYNOQCICJRHH-QMMMGPOBSA-N -1 0 324.341 -0.825 20 0 DBADRM Cc1noc(C)c1[C@H](C)CNC(=O)CNC(=O)CNC(=O)[O-] ZINC000833926934 605351688 /nfs/dbraw/zinc/35/16/88/605351688.db2.gz AHZREBFRTLBUDG-SSDOTTSWSA-N -1 0 312.326 -0.105 20 0 DBADRM O=C(CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O)NC1CCCC1 ZINC000831480805 605352530 /nfs/dbraw/zinc/35/25/30/605352530.db2.gz TVLZWIFLRCNXIS-CQSZACIVSA-N -1 0 324.337 -0.281 20 0 DBADRM O=C([O-])N1CC[C@]2(C1)NC(=O)N(CC(=O)N1CCCCC1)C2=O ZINC000831969682 605352561 /nfs/dbraw/zinc/35/25/61/605352561.db2.gz RJCKKPCTNMBQKG-CQSZACIVSA-N -1 0 324.337 -0.327 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NC[C@H](O)C1CCOCC1 ZINC000831380660 605352750 /nfs/dbraw/zinc/35/27/50/605352750.db2.gz GKLBBRISRGFWQK-RYUDHWBXSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NC[C@@H](O)C1CCOCC1 ZINC000831380662 605352929 /nfs/dbraw/zinc/35/29/29/605352929.db2.gz GKLBBRISRGFWQK-VXGBXAGGSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NC[C@H](O)C2CCOCC2)C1 ZINC000831622503 605353473 /nfs/dbraw/zinc/35/34/73/605353473.db2.gz VYNVCITZTHWTMW-WDEREUQCSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)NC[C@@H](O)CO)cc2C1 ZINC000834194099 605361508 /nfs/dbraw/zinc/36/15/08/605361508.db2.gz FDCJQWCVIPXINA-MWLCHTKSSA-N -1 0 324.337 -0.319 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000825778725 605362391 /nfs/dbraw/zinc/36/23/91/605362391.db2.gz RYOHBNFDIHYYTC-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000834198972 605365470 /nfs/dbraw/zinc/36/54/70/605365470.db2.gz SJTRQLADLZVUKQ-UHFFFAOYSA-N -1 0 308.250 -0.144 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000834198917 605365580 /nfs/dbraw/zinc/36/55/80/605365580.db2.gz QINGUXCZQGSZIF-UHFFFAOYSA-N -1 0 319.281 -0.811 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(n2cccn2)CC1 ZINC000834195863 605366589 /nfs/dbraw/zinc/36/65/89/605366589.db2.gz WXIQERSVGTXLJS-UHFFFAOYSA-N -1 0 309.326 -0.570 20 0 DBADRM COC(=O)CCN1CCN(C(=O)CCNC(=O)[O-])C[C@@H]1C ZINC000833880494 605367890 /nfs/dbraw/zinc/36/78/90/605367890.db2.gz YQOHFBHRJSMFHH-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM COC(=O)CCN1CCN(C(=O)CCNC(=O)[O-])C[C@H]1C ZINC000833880495 605368442 /nfs/dbraw/zinc/36/84/42/605368442.db2.gz YQOHFBHRJSMFHH-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM O=C([O-])NCC(=O)N1CCN(CCn2ccccc2=O)CC1 ZINC000834194119 605369002 /nfs/dbraw/zinc/36/90/02/605369002.db2.gz OWXHSAGAUNRVGM-UHFFFAOYSA-N -1 0 308.338 -0.740 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)N2CCC(OCCO)CC2)C1 ZINC000834086983 605372792 /nfs/dbraw/zinc/37/27/92/605372792.db2.gz XDWXWERSQFOBGO-SNVBAGLBSA-N -1 0 301.343 -0.078 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000834195021 605374559 /nfs/dbraw/zinc/37/45/59/605374559.db2.gz QWDIVXSDQTXXQM-QMTHXVAHSA-N -1 0 313.354 -0.476 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000834195199 605374965 /nfs/dbraw/zinc/37/49/65/605374965.db2.gz SAYQFZLGZMXHPN-QWRGUYRKSA-N -1 0 313.354 -0.355 20 0 DBADRM Cn1c(=O)oc2c1cccc2NC(=O)CNC(=O)CNC(=O)[O-] ZINC000833940042 605375904 /nfs/dbraw/zinc/37/59/04/605375904.db2.gz FLHULSHPIKHAKR-UHFFFAOYSA-N -1 0 322.277 -0.546 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000834193723 605376733 /nfs/dbraw/zinc/37/67/33/605376733.db2.gz IRXQZWJEYNEBGJ-VIFPVBQESA-N -1 0 309.326 -0.153 20 0 DBADRM C[S@](=O)c1cccc(NC(=O)CNC(=O)CNC(=O)[O-])c1 ZINC000833892840 605379402 /nfs/dbraw/zinc/37/94/02/605379402.db2.gz DLNRJIDEUNTQTM-NRFANRHFSA-N -1 0 313.335 -0.254 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NC[C@H](O)COCC1CC1 ZINC000831381474 605380280 /nfs/dbraw/zinc/38/02/80/605380280.db2.gz KOTCUNDBCKEWSM-NWDGAFQWSA-N -1 0 316.354 -0.341 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC000833433279 605380361 /nfs/dbraw/zinc/38/03/61/605380361.db2.gz HYQDGWINQFOPNO-SECBINFHSA-N -1 0 302.327 -0.770 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NC[C@@H](O)COCC2CC2)C1 ZINC000831622658 605381163 /nfs/dbraw/zinc/38/11/63/605381163.db2.gz ZPNCGDBRXZDHNR-GHMZBOCLSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000834199267 605383441 /nfs/dbraw/zinc/38/34/41/605383441.db2.gz ZBPIVXZFVJNGIG-UHFFFAOYSA-N -1 0 306.278 -0.497 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OCc1nc(-c2ccoc2)no1 ZINC000834199865 605385237 /nfs/dbraw/zinc/38/52/37/605385237.db2.gz QQQWCSKTEDJIKL-UHFFFAOYSA-N -1 0 324.249 -0.243 20 0 DBADRM Cn1nccc1CNS(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC000833963512 605391592 /nfs/dbraw/zinc/39/15/92/605391592.db2.gz OFHODQLOZFEXHD-UHFFFAOYSA-N -1 0 302.356 -0.018 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000831284237 605393532 /nfs/dbraw/zinc/39/35/32/605393532.db2.gz UIKFTVBWZFGZMT-NEPJUHHUSA-N -1 0 313.354 -0.702 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000831284303 605393955 /nfs/dbraw/zinc/39/39/55/605393955.db2.gz UYMLFRJANKLENM-MNOVXSKESA-N -1 0 315.395 -0.028 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000831284301 605394223 /nfs/dbraw/zinc/39/42/23/605394223.db2.gz UYMLFRJANKLENM-GHMZBOCLSA-N -1 0 315.395 -0.028 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000834198544 605399820 /nfs/dbraw/zinc/39/98/20/605399820.db2.gz JZQWCEKVXXXQJY-UHFFFAOYSA-N -1 0 320.305 -0.705 20 0 DBADRM O=C([O-])N(CC(=O)NCCCn1ccnn1)C[C@@H]1CCCO1 ZINC000834006583 605403112 /nfs/dbraw/zinc/40/31/12/605403112.db2.gz MBHKHKJWCVOMIT-NSHDSACASA-N -1 0 311.342 -0.057 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NC[C@H](O)COCC1CC1 ZINC000831622634 605403436 /nfs/dbraw/zinc/40/34/36/605403436.db2.gz YYXCHMYUQKVENP-DCAQKATOSA-N -1 0 302.327 -0.997 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@H](O)COCC1CC1 ZINC000831622580 605403611 /nfs/dbraw/zinc/40/36/11/605403611.db2.gz XMPZUVQGSWMPIV-QWRGUYRKSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@@H](O)COCC1CC1 ZINC000831622578 605403759 /nfs/dbraw/zinc/40/37/59/605403759.db2.gz XMPZUVQGSWMPIV-GHMZBOCLSA-N -1 0 302.327 -0.731 20 0 DBADRM Cc1c(C(=O)N(C)CCO)nnn1C1CCN(C(=O)[O-])CC1 ZINC000833897841 605404694 /nfs/dbraw/zinc/40/46/94/605404694.db2.gz DFCBXEUNQZCTBP-UHFFFAOYSA-N -1 0 311.342 -0.034 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NC[C@@H]2CCCCS2(=O)=O)C1 ZINC000834033213 605405109 /nfs/dbraw/zinc/40/51/09/605405109.db2.gz GBFJAEGAFWNAIU-JTQLQIEISA-N -1 0 319.383 -0.137 20 0 DBADRM CC[C@@](C)(CNC(=O)[O-])C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000833840675 605406629 /nfs/dbraw/zinc/40/66/29/605406629.db2.gz MTBPRRRKNRNZNV-RISCZKNCSA-N -1 0 317.386 -0.520 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000833983228 605409228 /nfs/dbraw/zinc/40/92/28/605409228.db2.gz FRNBUQBWULLJCT-MRVPVSSYSA-N -1 0 312.257 -0.625 20 0 DBADRM O=C([O-])N1CC[C@@H](CNC(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834040342 605409936 /nfs/dbraw/zinc/40/99/36/605409936.db2.gz BMBXAXATFBEXBO-VIFPVBQESA-N -1 0 324.341 -0.561 20 0 DBADRM CNC(=O)c1cccc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])c1C ZINC000833876641 605411356 /nfs/dbraw/zinc/41/13/56/605411356.db2.gz IEYTWHPMRDCBAS-JTQLQIEISA-N -1 0 322.321 -0.195 20 0 DBADRM CNC(=O)c1cccc(COC(=O)[C@H](CC(N)=O)NC(=O)[O-])c1 ZINC000833877889 605416064 /nfs/dbraw/zinc/41/60/64/605416064.db2.gz URNLSGIJZNCTAF-JTQLQIEISA-N -1 0 323.305 -0.399 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000833894764 605418163 /nfs/dbraw/zinc/41/81/63/605418163.db2.gz NLHAVTLFCVXAIN-GUBZILKMSA-N -1 0 322.383 -0.523 20 0 DBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NC[C@@H]1CCCCO1 ZINC000833894688 605420044 /nfs/dbraw/zinc/42/00/44/605420044.db2.gz MZDJOMFTLFAZNY-VHSXEESVSA-N -1 0 322.383 -0.257 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCCCO1 ZINC000833894690 605420134 /nfs/dbraw/zinc/42/01/34/605420134.db2.gz MZDJOMFTLFAZNY-ZJUUUORDSA-N -1 0 322.383 -0.257 20 0 DBADRM Cn1nccc1COC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-] ZINC000833964220 605431418 /nfs/dbraw/zinc/43/14/18/605431418.db2.gz WMCLYVLEMQQMRU-SECBINFHSA-N -1 0 319.339 -0.466 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000833893503 605433094 /nfs/dbraw/zinc/43/30/94/605433094.db2.gz BLXWSMHSQRMGMQ-GUBZILKMSA-N -1 0 322.383 -0.666 20 0 DBADRM NC(=O)N1CC[C@H](NC(=O)C[C@H]2CSCCN2C(=O)[O-])C1 ZINC000831199760 605435098 /nfs/dbraw/zinc/43/50/98/605435098.db2.gz IOGFPWRJBPSHEU-IUCAKERBSA-N -1 0 316.383 -0.259 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000834194072 605437634 /nfs/dbraw/zinc/43/76/34/605437634.db2.gz KALPWELXGPUBKQ-NXEZZACHSA-N -1 0 311.338 -0.270 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@H](OCCO)C2)C1 ZINC000832049502 605438928 /nfs/dbraw/zinc/43/89/28/605438928.db2.gz GFXNMTUBTASYGC-WDEREUQCSA-N -1 0 302.327 -0.635 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@]1(O)CCOC1 ZINC000833682994 605440174 /nfs/dbraw/zinc/44/01/74/605440174.db2.gz MNDUMNFGRYJSQC-GFCCVEGCSA-N -1 0 319.335 -0.030 20 0 DBADRM COC[C@@](C)(CCO)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000833881950 605442036 /nfs/dbraw/zinc/44/20/36/605442036.db2.gz FYIBLLABZRTUGB-GXFFZTMASA-N -1 0 304.343 -0.341 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCOC3(CCOCC3)C2)C1 ZINC000832060758 605444164 /nfs/dbraw/zinc/44/41/64/605444164.db2.gz QXDGYNSSPJYIJK-NSHDSACASA-N -1 0 314.338 -0.227 20 0 DBADRM O=C([O-])N[C@H]1CCCN(c2ccc(C(=O)NCCO)nn2)C1 ZINC000832366285 605456330 /nfs/dbraw/zinc/45/63/30/605456330.db2.gz REKGOIUYPUUFCL-VIFPVBQESA-N -1 0 309.326 -0.565 20 0 DBADRM O=C([O-])N(CCNc1ccc(C(=O)NCCO)nn1)C1CC1 ZINC000831692770 605457217 /nfs/dbraw/zinc/45/72/17/605457217.db2.gz BAMQPQOEJQYLLM-UHFFFAOYSA-N -1 0 309.326 -0.247 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)N2CCCS(=O)(=O)CC2)C1 ZINC000834083955 605457503 /nfs/dbraw/zinc/45/75/03/605457503.db2.gz LDOHPZZICBQMAD-VIFPVBQESA-N -1 0 305.356 -0.431 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)N2CCCS(=O)(=O)CC2)C1 ZINC000834098077 605457508 /nfs/dbraw/zinc/45/75/08/605457508.db2.gz HGUHIAZQYUEROZ-SNVBAGLBSA-N -1 0 319.383 -0.041 20 0 DBADRM CNC(=O)Cc1noc(C[C@H]2CSCCN2C(=O)[O-])n1 ZINC000828547868 605458345 /nfs/dbraw/zinc/45/83/45/605458345.db2.gz ZANLCNXQIJZSIP-ZETCQYMHSA-N -1 0 300.340 -0.004 20 0 DBADRM COCCN(CCNC(=O)NC[C@]1(O)CCSC1)C(=O)[O-] ZINC000833886045 605458603 /nfs/dbraw/zinc/45/86/03/605458603.db2.gz OXQREXNPNOHRDU-GFCCVEGCSA-N -1 0 321.399 -0.220 20 0 DBADRM C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)cn1C)C(=O)[O-] ZINC000820182927 605462082 /nfs/dbraw/zinc/46/20/82/605462082.db2.gz OFQGPAPDQNDIKJ-SSDOTTSWSA-N -1 0 304.324 -0.095 20 0 DBADRM CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000833665544 605469925 /nfs/dbraw/zinc/46/99/25/605469925.db2.gz FPAMYPQACSDKGN-JTQLQIEISA-N -1 0 319.310 -0.205 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000833820463 605486107 /nfs/dbraw/zinc/48/61/07/605486107.db2.gz ZHTARRREOJAAKJ-GUBZILKMSA-N -1 0 319.383 -0.139 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccn(CC(F)F)n1 ZINC000833983825 605494533 /nfs/dbraw/zinc/49/45/33/605494533.db2.gz KOTIINBUAQVWAX-YFKPBYRVSA-N -1 0 305.241 -0.402 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccn(CC(F)F)n1 ZINC000833983824 605495019 /nfs/dbraw/zinc/49/50/19/605495019.db2.gz KOTIINBUAQVWAX-RXMQYKEDSA-N -1 0 305.241 -0.402 20 0 DBADRM Cc1nsc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-])n1 ZINC000833935015 605497384 /nfs/dbraw/zinc/49/73/84/605497384.db2.gz GYXMMIFHONGGPN-LURJTMIESA-N -1 0 322.368 -0.144 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CCN(c2ccc(C(=O)NCCO)nn2)C1 ZINC000833818582 605498709 /nfs/dbraw/zinc/49/87/09/605498709.db2.gz QDCIMUOODMVAAR-VHSXEESVSA-N -1 0 323.353 -0.319 20 0 DBADRM CN(CCN(C)S(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000833872894 605509553 /nfs/dbraw/zinc/50/95/53/605509553.db2.gz ACJLIIKRSHBDIE-UHFFFAOYSA-N -1 0 316.401 -0.708 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)OC[C@@H]1CCOC1 ZINC000833797865 605512445 /nfs/dbraw/zinc/51/24/45/605512445.db2.gz IQURSVRKSHWXHQ-KOLCDFICSA-N -1 0 302.327 -0.026 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)O[C@H]1CCOC1=O ZINC000833797972 605514305 /nfs/dbraw/zinc/51/43/05/605514305.db2.gz UMMJWLWZMZHXAY-CBAPKCEASA-N -1 0 302.283 -0.747 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)OCC(=O)N(C)C ZINC000833797896 605514687 /nfs/dbraw/zinc/51/46/87/605514687.db2.gz MAYZSIHRECOIRM-JTQLQIEISA-N -1 0 303.315 -0.974 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CCN(S(=O)(=O)N2CCOCC2)C1 ZINC000833814788 605515060 /nfs/dbraw/zinc/51/50/60/605515060.db2.gz CSXGPHGXFZXAPR-ZJUUUORDSA-N -1 0 307.372 -0.459 20 0 DBADRM NC(=O)CN1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000833985558 605518054 /nfs/dbraw/zinc/51/80/54/605518054.db2.gz RCFBPRIMBBBEGS-WDEREUQCSA-N -1 0 312.370 -0.558 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCCC3(C2)OCCO3)C1 ZINC000834116029 605529116 /nfs/dbraw/zinc/52/91/16/605529116.db2.gz HEDXHJUSBBZWQN-SNVBAGLBSA-N -1 0 300.311 -0.269 20 0 DBADRM O=C([O-])N1CC(C(=O)NCc2nnnn2-c2ccccc2)C1 ZINC000834049954 605539587 /nfs/dbraw/zinc/53/95/87/605539587.db2.gz UDJZVTRHIBTQGL-UHFFFAOYSA-N -1 0 302.294 -0.112 20 0 DBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2CCOC[C@@H]2CCO)C1 ZINC000834105958 605545082 /nfs/dbraw/zinc/54/50/82/605545082.db2.gz QKHHIAROXRGSAU-RYUDHWBXSA-N -1 0 316.354 -0.245 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCOC[C@@H]2CCO)C1 ZINC000834120108 605545871 /nfs/dbraw/zinc/54/58/71/605545871.db2.gz UIJFAHRGGJCFFO-WDEREUQCSA-N -1 0 302.327 -0.635 20 0 DBADRM O=C([O-])NC1(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CCCC1 ZINC000834151167 605546969 /nfs/dbraw/zinc/54/69/69/605546969.db2.gz DNPCDGMGZDOTIP-MRVPVSSYSA-N -1 0 310.310 -0.671 20 0 DBADRM Cn1cnn(CC(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)c1=O ZINC000833957441 605548931 /nfs/dbraw/zinc/54/89/31/605548931.db2.gz UTLBVWWBRCRNPM-SNVBAGLBSA-N -1 0 309.326 -0.675 20 0 DBADRM C[C@]1(C(=O)OCCN2CCCS2(=O)=O)CCN(C(=O)[O-])C1 ZINC000825690452 605549945 /nfs/dbraw/zinc/54/99/45/605549945.db2.gz JEGHMKUMKMLFAL-LBPRGKRZSA-N -1 0 320.367 -0.045 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCOC[C@@H]2c2ncon2)C1 ZINC000834070015 605551250 /nfs/dbraw/zinc/55/12/50/605551250.db2.gz KUGQCVCUSCEPOR-SECBINFHSA-N -1 0 312.282 -0.652 20 0 DBADRM O=C([O-])N1CC(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000834017136 605553778 /nfs/dbraw/zinc/55/37/78/605553778.db2.gz IDNGSPAEHKBBPC-ZETCQYMHSA-N -1 0 309.244 -0.124 20 0 DBADRM Cn1cnn(CC(=O)N2CCC3(C2)CCN(C(=O)[O-])CC3)c1=O ZINC000833957453 605554884 /nfs/dbraw/zinc/55/48/84/605554884.db2.gz UZZYLCWGGAKSBL-UHFFFAOYSA-N -1 0 323.353 -0.426 20 0 DBADRM Cn1cc(N2CCC[C@@H](NC(=O)C3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000833949686 605558729 /nfs/dbraw/zinc/55/87/29/605558729.db2.gz KQXRJFWOIXABKV-LLVKDONJSA-N -1 0 321.337 -0.359 20 0 DBADRM Cn1ccc(N2CCC[C@@H](NC(=O)C3CN(C(=O)[O-])C3)C2=O)n1 ZINC000833952571 605558820 /nfs/dbraw/zinc/55/88/20/605558820.db2.gz JFQSKELMCVOPRX-SNVBAGLBSA-N -1 0 321.337 -0.359 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000833485548 605559087 /nfs/dbraw/zinc/55/90/87/605559087.db2.gz XITADILLSKIIJA-UHFFFAOYSA-N -1 0 317.371 -0.334 20 0 DBADRM O=C([O-])NCCOc1ccc(NC(=O)C(=O)NCCO)cc1 ZINC000834244484 605560892 /nfs/dbraw/zinc/56/08/92/605560892.db2.gz LZPROZIJWJUXPR-UHFFFAOYSA-N -1 0 311.294 -0.620 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)[C@H]2CSCN2C(=O)[O-])cn1 ZINC000833947477 605569697 /nfs/dbraw/zinc/56/96/97/605569697.db2.gz SJJBLBWFVOENFO-RKDXNWHRSA-N -1 0 300.340 -0.377 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000825520533 605574009 /nfs/dbraw/zinc/57/40/09/605574009.db2.gz AVGCUNQLUQNSKK-SNVBAGLBSA-N -1 0 316.358 -0.779 20 0 DBADRM O=C([O-])NC1CCN(CC(=O)NCCNC(=O)C2CC2)CC1 ZINC000832386955 605582907 /nfs/dbraw/zinc/58/29/07/605582907.db2.gz UIVWNOZTAMYGCF-UHFFFAOYSA-N -1 0 312.370 -0.639 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000828096062 605586957 /nfs/dbraw/zinc/58/69/57/605586957.db2.gz UTTHAHZGOQDEHM-LLVKDONJSA-N -1 0 315.370 -0.014 20 0 DBADRM O=C([O-])NCCN(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000834240576 605606365 /nfs/dbraw/zinc/60/63/65/605606365.db2.gz VEJHEMBHICSWCD-WDEREUQCSA-N -1 0 306.384 -0.078 20 0 DBADRM O=C(CN1CCN(C(=O)C2CN(C(=O)[O-])C2)CC1)NC1CC1 ZINC000834005008 605608645 /nfs/dbraw/zinc/60/86/45/605608645.db2.gz JJBVDICFUCQEDS-UHFFFAOYSA-N -1 0 310.354 -0.981 20 0 DBADRM CC(C)N1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1=O ZINC000833498874 605615686 /nfs/dbraw/zinc/61/56/86/605615686.db2.gz JBKCYGFNZZDBTM-UHFFFAOYSA-N -1 0 307.372 -0.810 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000823979636 605617562 /nfs/dbraw/zinc/61/75/62/605617562.db2.gz ZDAAXOFJIXZHNZ-UHFFFAOYSA-N -1 0 324.403 -0.340 20 0 DBADRM O=C([O-])N1[C@H](C(=O)NCC(=O)NCCO)C[C@@H]2CCCC[C@@H]21 ZINC000834005351 605620563 /nfs/dbraw/zinc/62/05/63/605620563.db2.gz OCYIJKSJDBGUSK-DCAQKATOSA-N -1 0 313.354 -0.478 20 0 DBADRM O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NCC(=O)NCCO ZINC000834005352 605620604 /nfs/dbraw/zinc/62/06/04/605620604.db2.gz OCYIJKSJDBGUSK-MXWKQRLJSA-N -1 0 313.354 -0.478 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N(CCO)Cc1ccccc1 ZINC000833981959 605626484 /nfs/dbraw/zinc/62/64/84/605626484.db2.gz YPARCNQJVUPYAW-LLVKDONJSA-N -1 0 309.322 -0.481 20 0 DBADRM O=C([O-])NCCNC(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000832658836 605626529 /nfs/dbraw/zinc/62/65/29/605626529.db2.gz WLHRJQOZOFQBGI-UHFFFAOYSA-N -1 0 323.353 -0.061 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCCCNC(=O)[O-])cn1 ZINC000833881145 605627525 /nfs/dbraw/zinc/62/75/25/605627525.db2.gz TZHNIJFMFNENHS-UHFFFAOYSA-N -1 0 317.323 -0.196 20 0 DBADRM CN1C[C@H](NC(=O)C[C@H]2CSCCN2C(=O)[O-])CC1=O ZINC000828451707 605634889 /nfs/dbraw/zinc/63/48/89/605634889.db2.gz IGYJSQUCRHLGQJ-BDAKNGLRSA-N -1 0 301.368 -0.181 20 0 DBADRM CN(CCCNC(=O)C[C@H](NC(=O)[O-])C1CC1)S(C)(=O)=O ZINC000833872135 605638705 /nfs/dbraw/zinc/63/87/05/605638705.db2.gz GHNLPUBKCIOFLP-JTQLQIEISA-N -1 0 321.399 -0.180 20 0 DBADRM O=C(CCOC1CN(C(=O)[O-])C1)OCCN1CCOCC1=O ZINC000833994131 605640305 /nfs/dbraw/zinc/64/03/05/605640305.db2.gz LBIFEVOOJRWPTH-UHFFFAOYSA-N -1 0 316.310 -0.843 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)OCCN1CCOCC1=O ZINC000834137556 605642193 /nfs/dbraw/zinc/64/21/93/605642193.db2.gz LXXCBMZPYYXLAF-ZETCQYMHSA-N -1 0 310.253 -0.320 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN(C)C(C)=O ZINC000833703847 605652402 /nfs/dbraw/zinc/65/24/02/605652402.db2.gz CMUNXPBZMKKYRX-VHSXEESVSA-N -1 0 300.311 -0.671 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000823986193 605656623 /nfs/dbraw/zinc/65/66/23/605656623.db2.gz MSRDIXCGDLGCRP-HTQZYQBOSA-N -1 0 302.331 -0.635 20 0 DBADRM O=C([O-])N1CC[C@@H](CCNC(=O)NCC2(CO)COC2)C1 ZINC000834037627 605659152 /nfs/dbraw/zinc/65/91/52/605659152.db2.gz LPOCYMCBIMAZBU-SNVBAGLBSA-N -1 0 301.343 -0.316 20 0 DBADRM O=C([O-])NC1CCC(NC(=O)NCC2(CO)COC2)CC1 ZINC000834164299 605660115 /nfs/dbraw/zinc/66/01/15/605660115.db2.gz NTWJIQHNYYPIAS-UHFFFAOYSA-N -1 0 301.343 -0.127 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(NC(N)=O)c1 ZINC000833983861 605666857 /nfs/dbraw/zinc/66/68/57/605666857.db2.gz KXEYPFCMMZWYIQ-QMMMGPOBSA-N -1 0 309.282 -0.373 20 0 DBADRM NC(=O)[C@@H]1COCCN1C(=O)CCCCCCNC(=O)[O-] ZINC000833980025 605669079 /nfs/dbraw/zinc/66/90/79/605669079.db2.gz JEBNJRZTWDJBEY-JTQLQIEISA-N -1 0 301.343 -0.083 20 0 DBADRM C[S@](=O)c1cccc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])c1 ZINC000833893306 605669204 /nfs/dbraw/zinc/66/92/04/605669204.db2.gz MIUJURVRDWEHNR-FPVGNUTFSA-N -1 0 313.335 -0.126 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1 ZINC000833530511 605671902 /nfs/dbraw/zinc/67/19/02/605671902.db2.gz VERFSZQRSMTDEB-RKDXNWHRSA-N -1 0 309.322 -0.109 20 0 DBADRM CC[C@@](C)(CNC(=O)[O-])C(=O)NCCCNS(C)(=O)=O ZINC000833837818 605678859 /nfs/dbraw/zinc/67/88/59/605678859.db2.gz AJBCSFVMCGQGNX-NSHDSACASA-N -1 0 309.388 -0.274 20 0 DBADRM CN(CCCNC(=O)C(=O)Nc1c2c(nn1C)CCC2)C(=O)[O-] ZINC000833872306 605681665 /nfs/dbraw/zinc/68/16/65/605681665.db2.gz IRQRUIJPZAXFRF-UHFFFAOYSA-N -1 0 323.353 -0.037 20 0 DBADRM Cn1nc2c(c1NC(=O)C(=O)NCCCNC(=O)[O-])CCC2 ZINC000833959754 605682858 /nfs/dbraw/zinc/68/28/58/605682858.db2.gz YMPBHRGVCSJUOT-UHFFFAOYSA-N -1 0 309.326 -0.379 20 0 DBADRM COC(=O)[C@H]1CCN(CC(=O)Nc2ccncc2)[C@@H](C(=O)[O-])C1 ZINC000833705633 605685012 /nfs/dbraw/zinc/68/50/12/605685012.db2.gz DZYONXLHFOTJQI-CMPLNLGQSA-N -1 0 321.333 -0.220 20 0 DBADRM COC(=O)[C@H]1CCN(CC(=O)Nc2ccon2)[C@@H](C(=O)[O-])C1 ZINC000833708206 605689710 /nfs/dbraw/zinc/68/97/10/605689710.db2.gz OJSIDXHGIJCSQJ-DTWKUNHWSA-N -1 0 311.294 -0.049 20 0 DBADRM O=C([O-])N1CCCN(CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000832015654 605695974 /nfs/dbraw/zinc/69/59/74/605695974.db2.gz STEDGSZYMNFCES-UHFFFAOYSA-N -1 0 306.384 -0.388 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC000739358318 605696114 /nfs/dbraw/zinc/69/61/14/605696114.db2.gz MMLZRTKAEBOQCX-JTQLQIEISA-N -1 0 319.321 -0.245 20 0 DBADRM CCS(=O)(=O)CCNC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000827471825 605697583 /nfs/dbraw/zinc/69/75/83/605697583.db2.gz MOEGLUAAPQLPLG-UHFFFAOYSA-N -1 0 321.399 -0.731 20 0 DBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2CC(n3ccnn3)C2)C1 ZINC000834103247 605699947 /nfs/dbraw/zinc/69/99/47/605699947.db2.gz HSUSHXMZSIQZLF-NSHDSACASA-N -1 0 309.326 -0.180 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1c1noc(Cn2ccc(=O)[nH]c2=O)n1 ZINC000834118938 605702382 /nfs/dbraw/zinc/70/23/82/605702382.db2.gz MSHWZLXDMKQNJJ-SSDOTTSWSA-N -1 0 323.265 -0.569 20 0 DBADRM CNC(=O)[C@H](NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C(C)C ZINC000828527282 605705627 /nfs/dbraw/zinc/70/56/27/605705627.db2.gz YFYJQJIUPOSRTP-GXSJLCMTSA-N -1 0 301.343 -0.358 20 0 DBADRM O=C([O-])NC1CCN(CC(=O)NCc2nncn2C2CC2)CC1 ZINC000832386917 605706696 /nfs/dbraw/zinc/70/66/96/605706696.db2.gz SGXSREUYDRTZDX-UHFFFAOYSA-N -1 0 322.369 -0.039 20 0 DBADRM C[S@](=O)CCCNC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000829698736 605713951 /nfs/dbraw/zinc/71/39/51/605713951.db2.gz BUWUZCIQERTUCM-FQEVSTJZSA-N -1 0 305.400 -0.397 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC(OCCCO)CC2)C1 ZINC000832051110 605716759 /nfs/dbraw/zinc/71/67/59/605716759.db2.gz TVKGRJCDPPUXCO-GFCCVEGCSA-N -1 0 316.354 -0.245 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)C1CCOCC1 ZINC000834005453 605717130 /nfs/dbraw/zinc/71/71/30/605717130.db2.gz FYSIKDUKGOTPRN-ZJUUUORDSA-N -1 0 301.295 -0.362 20 0 DBADRM NC(=O)N1CC[C@@H](NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000831199376 605718299 /nfs/dbraw/zinc/71/82/99/605718299.db2.gz AOTWAUJQPICBTJ-ZJUUUORDSA-N -1 0 314.342 -0.585 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)OCC(=O)C2CCOCC2)C1 ZINC000834005589 605718394 /nfs/dbraw/zinc/71/83/94/605718394.db2.gz HBNTWUUWTVKUQT-NSHDSACASA-N -1 0 301.295 -0.096 20 0 DBADRM CNC(=O)CCCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000828538534 605720527 /nfs/dbraw/zinc/72/05/27/605720527.db2.gz YQHIZDRGWGXFPS-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCc2cccc(F)n2)C(=O)C1 ZINC000834005009 605720581 /nfs/dbraw/zinc/72/05/81/605720581.db2.gz JJVAIDAJTVJLCE-UHFFFAOYSA-N -1 0 310.285 -0.341 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCC2CN(C(=O)[O-])C2)o1 ZINC000833880316 605726268 /nfs/dbraw/zinc/72/62/68/605726268.db2.gz HHYGDPLTOUJMSJ-UHFFFAOYSA-N -1 0 318.307 -0.046 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CN1CCC(=O)NC1=O ZINC000825809744 605729326 /nfs/dbraw/zinc/72/93/26/605729326.db2.gz QIJSCEPHILWYQF-RKDXNWHRSA-N -1 0 312.326 -0.425 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NCCN2CCSCC2)C1 ZINC000834041342 605735714 /nfs/dbraw/zinc/73/57/14/605735714.db2.gz IXMKQRHGEQMMLI-UHFFFAOYSA-N -1 0 302.400 -0.056 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CN1CCCS1(=O)=O ZINC000825810282 605737387 /nfs/dbraw/zinc/73/73/87/605737387.db2.gz UGAOVXXHGFFHHS-NXEZZACHSA-N -1 0 319.383 -0.331 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)NCC1CN(C(=O)[O-])C1 ZINC000833863175 605737840 /nfs/dbraw/zinc/73/78/40/605737840.db2.gz GQWCVFMPKKWODE-UHFFFAOYSA-N -1 0 307.372 -0.328 20 0 DBADRM Cn1cc(N2CCN(C(=O)NCC3CN(C(=O)[O-])C3)CC2)cn1 ZINC000833950432 605741590 /nfs/dbraw/zinc/74/15/90/605741590.db2.gz NPGSLIGLSGICDA-UHFFFAOYSA-N -1 0 322.369 -0.139 20 0 DBADRM O=C([O-])N1CC(CNC(=O)Cn2nc3ccccn3c2=O)C1 ZINC000834012135 605749276 /nfs/dbraw/zinc/74/92/76/605749276.db2.gz JBWOMENQOZFXMX-UHFFFAOYSA-N -1 0 305.294 -0.778 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc(NC(N)=O)cc1 ZINC000833984062 605750836 /nfs/dbraw/zinc/75/08/36/605750836.db2.gz ZYTYXILBXCOHJT-SECBINFHSA-N -1 0 323.309 -0.695 20 0 DBADRM Cc1ccc([C@@H](O)CNC(=O)[C@@H](CC(N)=O)NC(=O)[O-])cc1 ZINC000833905985 605751569 /nfs/dbraw/zinc/75/15/69/605751569.db2.gz ZWTFHIHDNDYGRP-MNOVXSKESA-N -1 0 309.322 -0.344 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc(CO)c(F)c1 ZINC000833981453 605753194 /nfs/dbraw/zinc/75/31/94/605753194.db2.gz FKJZATFWASVNSA-SNVBAGLBSA-N -1 0 313.285 -0.554 20 0 DBADRM CC[C@@]1(C(=O)NCCCNS(C)(=O)=O)CCCN1C(=O)[O-] ZINC000833843686 605756071 /nfs/dbraw/zinc/75/60/71/605756071.db2.gz NWMKSUFFSKJPDU-LBPRGKRZSA-N -1 0 321.399 -0.036 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CC(Oc2ccncc2)C1 ZINC000833980016 605756052 /nfs/dbraw/zinc/75/60/52/605756052.db2.gz JBVSHBZBEZUPLJ-JTQLQIEISA-N -1 0 308.294 -0.817 20 0 DBADRM Cc1noc(C)c1C[C@@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833926894 605759821 /nfs/dbraw/zinc/75/98/21/605759821.db2.gz ADWUPKWDQGTXMM-LHLIQPBNSA-N -1 0 312.326 -0.150 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)NCCNC(=O)c1ccn[nH]1)C1CC1 ZINC000834205875 605761131 /nfs/dbraw/zinc/76/11/31/605761131.db2.gz NUWCZIYIDVEHLU-SNVBAGLBSA-N -1 0 324.341 -0.515 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000833981716 605761431 /nfs/dbraw/zinc/76/14/31/605761431.db2.gz WWRPPTWJPYYMPJ-QWRGUYRKSA-N -1 0 322.321 -0.427 20 0 DBADRM Cn1cc(C[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])C2)cn1 ZINC000833945882 605761614 /nfs/dbraw/zinc/76/16/14/605761614.db2.gz CEHUVSPZKJUBGH-ONGXEEELSA-N -1 0 323.353 -0.677 20 0 DBADRM Cc1noc(C)c1CCCNC(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833931344 605761787 /nfs/dbraw/zinc/76/17/87/605761787.db2.gz OVWGQESSNCGCFZ-JTQLQIEISA-N -1 0 312.326 -0.148 20 0 DBADRM C[C@]1(CNC(=O)[C@@H](CC(N)=O)NC(=O)[O-])CCCC[C@@H]1O ZINC000833823638 605761808 /nfs/dbraw/zinc/76/18/08/605761808.db2.gz IOUODKQSOGPFAY-VYUIOLGVSA-N -1 0 301.343 -0.445 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000833985313 605763080 /nfs/dbraw/zinc/76/30/80/605763080.db2.gz XWYJWOPBFRHXKN-SNVBAGLBSA-N -1 0 318.293 -0.283 20 0 DBADRM Cn1ccnc1-c1cc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])n[nH]1 ZINC000833952218 605763466 /nfs/dbraw/zinc/76/34/66/605763466.db2.gz JFKQDERBKWSELU-SSDOTTSWSA-N -1 0 321.297 -0.740 20 0 DBADRM O=C([O-])N[C@H]1CCCN(C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834183390 605764564 /nfs/dbraw/zinc/76/45/64/605764564.db2.gz PNTZITWAARBWCF-VIFPVBQESA-N -1 0 324.341 -0.419 20 0 DBADRM C=CC(=O)NCCC(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC000833372379 605768873 /nfs/dbraw/zinc/76/88/73/605768873.db2.gz RTWJLPZADPAJSI-NXEZZACHSA-N -1 0 312.322 -0.457 20 0 DBADRM O=C([O-])N1CC(CNC(=O)N2CCC(OCCO)CC2)C1 ZINC000834067715 605770264 /nfs/dbraw/zinc/77/02/64/605770264.db2.gz OFHSEMMVCCRFGL-UHFFFAOYSA-N -1 0 301.343 -0.221 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NCC2(CO)CCOCC2)C1 ZINC000834034111 605770974 /nfs/dbraw/zinc/77/09/74/605770974.db2.gz QLQLFCIHAHDBRR-UHFFFAOYSA-N -1 0 301.343 -0.316 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cn2ccccc2=O)[C@@H](C(=O)[O-])C1 ZINC000833710370 605771909 /nfs/dbraw/zinc/77/19/09/605771909.db2.gz PGXKTASRJQPCCO-WDEREUQCSA-N -1 0 322.317 -0.287 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC000825808964 605773025 /nfs/dbraw/zinc/77/30/25/605773025.db2.gz LNIAKEJRLROXPV-ZJUUUORDSA-N -1 0 324.337 -0.426 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000834051756 605775443 /nfs/dbraw/zinc/77/54/43/605775443.db2.gz LTZWYYDOWPVISQ-SQNXGDPESA-N -1 0 306.318 -0.126 20 0 DBADRM NC(=O)c1cc(CNC(=O)[C@@H]2CSCN2C(=O)[O-])on1 ZINC000831215397 605781838 /nfs/dbraw/zinc/78/18/38/605781838.db2.gz KPVYXDIHSQBONY-ZETCQYMHSA-N -1 0 300.296 -0.557 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@H](C)N(C(=O)[O-])C[C@H]1C ZINC000833883658 605785596 /nfs/dbraw/zinc/78/55/96/605785596.db2.gz PBXTYCQSGDQTNH-VHSXEESVSA-N -1 0 309.388 -0.118 20 0 DBADRM CN1CC(=O)N(CC(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000828453071 605786176 /nfs/dbraw/zinc/78/61/76/605786176.db2.gz YCPDEJJTLXXDFC-JTQLQIEISA-N -1 0 324.337 -0.376 20 0 DBADRM O=C([O-])N1CCN(CC(=O)Nc2ccnc(CO)c2)C(=O)C1 ZINC000834004593 605786121 /nfs/dbraw/zinc/78/61/21/605786121.db2.gz DQBRSTQWQGUWRF-UHFFFAOYSA-N -1 0 308.294 -0.665 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CCCN1C(=O)[O-])c2=O ZINC000833961567 605787098 /nfs/dbraw/zinc/78/70/98/605787098.db2.gz LJCNRTKIMVQCHH-UHFFFAOYSA-N -1 0 306.282 -0.743 20 0 DBADRM Cn1ncn(CC(=O)NCc2ccc(NC(=O)[O-])cc2)c1=O ZINC000833759298 605787240 /nfs/dbraw/zinc/78/72/40/605787240.db2.gz CITXJWXFEKBFHC-UHFFFAOYSA-N -1 0 305.294 -0.012 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NCCC(=O)N1CCOCC1 ZINC000833806033 605789771 /nfs/dbraw/zinc/78/97/71/605789771.db2.gz BTLLTWCGTWLDBC-SNVBAGLBSA-N -1 0 316.358 -0.562 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)NCCN1CCOCC1)C1CC1 ZINC000834143893 605792998 /nfs/dbraw/zinc/79/29/98/605792998.db2.gz IBQDINBDCBQIGX-LLVKDONJSA-N -1 0 300.359 -0.336 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000833810380 605796898 /nfs/dbraw/zinc/79/68/98/605796898.db2.gz YXJOCSSZRILCCA-XHNCKOQMSA-N -1 0 302.331 -0.778 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NC[C@H](O)C1CCOCC1 ZINC000833806337 605797717 /nfs/dbraw/zinc/79/77/17/605797717.db2.gz DEHSQESCZJKSOI-KOLCDFICSA-N -1 0 303.359 -0.023 20 0 DBADRM O=C([O-])N1CC[C@@H](N(C(=O)Cn2cccnc2=O)C2CC2)C1 ZINC000831923104 605800285 /nfs/dbraw/zinc/80/02/85/605800285.db2.gz XFXDKLCDOZKIRO-LLVKDONJSA-N -1 0 306.322 -0.013 20 0 DBADRM CC[C@]1(C(=O)NCCN2C(=O)CNC2=O)CCCN1C(=O)[O-] ZINC000833843200 605811906 /nfs/dbraw/zinc/81/19/06/605811906.db2.gz JQGAWQSKJKAOJD-CYBMUJFWSA-N -1 0 312.326 -0.423 20 0 DBADRM CCCCCN(CC(N)=O)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000833853667 605812378 /nfs/dbraw/zinc/81/23/78/605812378.db2.gz RDYTXSBBPNWVAC-JTQLQIEISA-N -1 0 301.343 -0.131 20 0 DBADRM CC[C@@]1(C(=O)NCCN2C(=O)CNC2=O)CCCN1C(=O)[O-] ZINC000833843201 605812445 /nfs/dbraw/zinc/81/24/45/605812445.db2.gz JQGAWQSKJKAOJD-ZDUSSCGKSA-N -1 0 312.326 -0.423 20 0 DBADRM CS[C@@H](CO)[C@H](C)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000829710179 605812554 /nfs/dbraw/zinc/81/25/54/605812554.db2.gz KPIHTAHAZOTJOZ-IUCAKERBSA-N -1 0 319.383 -0.963 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834041321 605818924 /nfs/dbraw/zinc/81/89/24/605818924.db2.gz INEGLTZSCMJAMK-LBPRGKRZSA-N -1 0 313.289 -0.652 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)N2CCN3C(=O)OCC[C@H]3C2)C1 ZINC000834085952 605819567 /nfs/dbraw/zinc/81/95/67/605819567.db2.gz UAWFHMFSRQLHPM-ZJUUUORDSA-N -1 0 312.326 -0.025 20 0 DBADRM Cn1nnnc1CCNC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833960041 605823089 /nfs/dbraw/zinc/82/30/89/605823089.db2.gz FJWCCMNRGJMHCD-SNVBAGLBSA-N -1 0 323.357 -0.321 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000833807990 605826946 /nfs/dbraw/zinc/82/69/46/605826946.db2.gz ACQZAHMKBXNNHG-MRVPVSSYSA-N -1 0 321.341 -0.191 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000833809692 605828550 /nfs/dbraw/zinc/82/85/50/605828550.db2.gz LTIDEYGDEIMGCI-ZETCQYMHSA-N -1 0 300.315 -0.663 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834182453 605830594 /nfs/dbraw/zinc/83/05/94/605830594.db2.gz ACGQSBFTXROXKI-MRVPVSSYSA-N -1 0 310.314 -0.809 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCc3ncccc3C2)C(=O)C1 ZINC000834112856 605832852 /nfs/dbraw/zinc/83/28/52/605832852.db2.gz JWBRDPKOULFPPI-UHFFFAOYSA-N -1 0 318.333 -0.212 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2cccc(O)c2)CC1 ZINC000834017895 605833774 /nfs/dbraw/zinc/83/37/74/605833774.db2.gz FBXSRFFQBXBMMG-UHFFFAOYSA-N -1 0 307.306 -0.056 20 0 DBADRM COCCN(CC(=O)N1CCC(OCCO)CC1)C(=O)[O-] ZINC000833884817 605834700 /nfs/dbraw/zinc/83/47/00/605834700.db2.gz VXRISKBNJDGUGS-UHFFFAOYSA-N -1 0 304.343 -0.387 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NCCc1ccc[nH]1 ZINC000833893537 605834901 /nfs/dbraw/zinc/83/49/01/605834901.db2.gz CHFBXDNPCKKZES-JTQLQIEISA-N -1 0 317.367 -0.256 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCc3nc[nH]c(=O)c3C2)C1 ZINC000834070009 605840241 /nfs/dbraw/zinc/84/02/41/605840241.db2.gz KQKWAJDZMJUYPL-UHFFFAOYSA-N -1 0 308.294 -0.554 20 0 DBADRM Cn1nnnc1CCNC(=O)c1ccc(NC(=O)[O-])cc1O ZINC000833960709 605844198 /nfs/dbraw/zinc/84/41/98/605844198.db2.gz MDEPFLCNJAPRDB-UHFFFAOYSA-N -1 0 306.282 -0.022 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)NC[C@@H](NC(=O)[O-])C1CC1 ZINC000833838103 605845733 /nfs/dbraw/zinc/84/57/33/605845733.db2.gz MLKBLWMWFFJUDX-PSASIEDQSA-N -1 0 319.383 -0.139 20 0 DBADRM O=C([O-])N1CCC(N(C(=O)C[C@@H]2NC(=O)NC2=O)C2CC2)CC1 ZINC000834288234 605865830 /nfs/dbraw/zinc/86/58/30/605865830.db2.gz DTXTWTSEROZEJY-JTQLQIEISA-N -1 0 324.337 -0.282 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)C1CCS(=O)(=O)CC1)C1CC1 ZINC000834140149 605874195 /nfs/dbraw/zinc/87/41/95/605874195.db2.gz LSVXEUIQUZTCAL-JTQLQIEISA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC000832647722 605876324 /nfs/dbraw/zinc/87/63/24/605876324.db2.gz MDKCSZDNVJSIKJ-LLVKDONJSA-N -1 0 321.337 -0.287 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833882747 605876997 /nfs/dbraw/zinc/87/69/97/605876997.db2.gz ADYVNNZTKRJSBK-NXEZZACHSA-N -1 0 309.388 -0.213 20 0 DBADRM Cc1c[nH]cc(C(=O)NCCN2CCN(C(=O)[O-])CC2)c1=O ZINC000833912518 605878382 /nfs/dbraw/zinc/87/83/82/605878382.db2.gz PMKQHSGAXZDELR-UHFFFAOYSA-N -1 0 308.338 -0.291 20 0 DBADRM O=C([O-])N[C@H](C(=O)NCCN1CCNC(=O)C1)c1ccccc1 ZINC000834251167 605879104 /nfs/dbraw/zinc/87/91/04/605879104.db2.gz DSMVYSIYWNLLGW-ZDUSSCGKSA-N -1 0 320.349 -0.457 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000833397140 605882646 /nfs/dbraw/zinc/88/26/46/605882646.db2.gz GVAWFCULQXPKEQ-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833688573 605884151 /nfs/dbraw/zinc/88/41/51/605884151.db2.gz WKZAINHMUDMCOS-UHFFFAOYSA-N -1 0 311.269 -0.333 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)OCc1ccnn1C ZINC000833797812 605890492 /nfs/dbraw/zinc/89/04/92/605890492.db2.gz CQNAWDSBLRXRHS-NSHDSACASA-N -1 0 312.326 -0.128 20 0 DBADRM Cn1c(=O)cc(COC(=O)CCCCNC(=O)[O-])n(C)c1=O ZINC000833941779 605901659 /nfs/dbraw/zinc/90/16/59/605901659.db2.gz GNAYYYNCFGHONK-UHFFFAOYSA-N -1 0 313.310 -0.435 20 0 DBADRM O=C([O-])N1CCC2(CCN(C(=O)CN3CC(=O)NC3=O)C2)CC1 ZINC000834289655 605905601 /nfs/dbraw/zinc/90/56/01/605905601.db2.gz NTTZLBDUULAIAC-UHFFFAOYSA-N -1 0 324.337 -0.469 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000833874918 605910619 /nfs/dbraw/zinc/91/06/19/605910619.db2.gz CTUVEZRZGDWZKF-VHSXEESVSA-N -1 0 314.342 -0.715 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CCO1 ZINC000833879057 605911581 /nfs/dbraw/zinc/91/15/81/605911581.db2.gz WOZQTCKFAMOVJS-VHSXEESVSA-N -1 0 314.342 -0.811 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CC[C@H](NC(=O)[O-])C1 ZINC000739365600 605913581 /nfs/dbraw/zinc/91/35/81/605913581.db2.gz HKEVUCGLIZFYGX-JTQLQIEISA-N -1 0 300.359 -0.687 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCC[C@@H](C)NC(=O)[O-] ZINC000833897851 605920148 /nfs/dbraw/zinc/92/01/48/605920148.db2.gz OWNFYKYQDGCAMZ-SECBINFHSA-N -1 0 324.337 -0.205 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)CCCCNC(=O)[O-])CC1 ZINC000833986688 605920377 /nfs/dbraw/zinc/92/03/77/605920377.db2.gz UPEJIQJZKUNLFA-UHFFFAOYSA-N -1 0 321.399 -0.049 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCCCN(C)C(=O)[O-] ZINC000833898100 605921809 /nfs/dbraw/zinc/92/18/09/605921809.db2.gz RMQMQTADEFROEU-UHFFFAOYSA-N -1 0 324.337 -0.252 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC[C@H]2CNC(=O)[O-])ccc1=O ZINC000833949376 605922035 /nfs/dbraw/zinc/92/20/35/605922035.db2.gz HSUFCTKGFQOIMW-JTQLQIEISA-N -1 0 322.321 -0.418 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCC(C)(C)NC(=O)[O-])ccc1=O ZINC000833949971 605922394 /nfs/dbraw/zinc/92/23/94/605922394.db2.gz MFIPGPRGEFLURD-UHFFFAOYSA-N -1 0 310.310 -0.514 20 0 DBADRM CCN(CCCNC(=O)NCc1cc(C(N)=O)no1)C(=O)[O-] ZINC000833858502 605923691 /nfs/dbraw/zinc/92/36/91/605923691.db2.gz HXCVYPWJQLKDDI-UHFFFAOYSA-N -1 0 313.314 -0.037 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@@H](NC(=O)[O-])C2CC2)ccc1=O ZINC000833951965 605923730 /nfs/dbraw/zinc/92/37/30/605923730.db2.gz YXXFJUNVDDKAAS-SNVBAGLBSA-N -1 0 322.321 -0.514 20 0 DBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)NCCO)cc2C1 ZINC000834042486 605928806 /nfs/dbraw/zinc/92/88/06/605928806.db2.gz YCMIGGQOGPTETH-UHFFFAOYSA-N -1 0 308.294 -0.835 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCN3C(=O)OCC[C@H]3C2)C1 ZINC000834117193 605929438 /nfs/dbraw/zinc/92/94/38/605929438.db2.gz QERBLEJVVORCEN-UWVGGRQHSA-N -1 0 313.310 -0.582 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)CCO1 ZINC000833879388 605929724 /nfs/dbraw/zinc/92/97/24/605929724.db2.gz YBVODODQGCFAFX-VWYCJHECSA-N -1 0 313.354 -0.214 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)CC2CCN(C(=O)[O-])CC2)CCO1 ZINC000833875923 605929846 /nfs/dbraw/zinc/92/98/46/605929846.db2.gz BPASPUQILFNWRA-NSHDSACASA-N -1 0 313.354 -0.260 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@@H](CCSC)NC(=O)[O-])CCO1 ZINC000833876749 605931282 /nfs/dbraw/zinc/93/12/82/605931282.db2.gz JAMDICVAMZDUQW-BDAKNGLRSA-N -1 0 319.383 -0.651 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])CC1=O ZINC000833697753 605933566 /nfs/dbraw/zinc/93/35/66/605933566.db2.gz QXCSAUFAEPNNAJ-UHFFFAOYSA-N -1 0 323.280 -0.237 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)C2(NC(=O)[O-])CCCCC2)CCO1 ZINC000833878409 605936186 /nfs/dbraw/zinc/93/61/86/605936186.db2.gz RQPSFHSVCCVFMW-SNVBAGLBSA-N -1 0 313.354 -0.070 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000833793184 605942333 /nfs/dbraw/zinc/94/23/33/605942333.db2.gz CPGYDMGKVSUEHI-SFYZADRCSA-N -1 0 300.315 -0.617 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CC[C@H](NC(=O)[O-])C2)C[C@H](C)O1 ZINC000826073742 605945286 /nfs/dbraw/zinc/94/52/86/605945286.db2.gz BKVLXOVFTWVNHP-GUBZILKMSA-N -1 0 307.372 -0.318 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](NC(=O)[O-])C2)c[nH]1 ZINC000828754746 605945753 /nfs/dbraw/zinc/94/57/53/605945753.db2.gz LQUVPLXZHCNECY-ZETCQYMHSA-N -1 0 317.323 -0.168 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@H](NC(=O)[O-])C2)cc1C(N)=O ZINC000740289997 605945762 /nfs/dbraw/zinc/94/57/62/605945762.db2.gz MLMLXQUKSHLVQW-ZETCQYMHSA-N -1 0 316.339 -0.845 20 0 DBADRM Cn1c2ncn(C3CCN(C(=O)[O-])CC3)c2c(=O)n(C)c1=O ZINC000833939957 605962855 /nfs/dbraw/zinc/96/28/55/605962855.db2.gz GPSOMBLCCUICSC-UHFFFAOYSA-N -1 0 307.310 -0.251 20 0 DBADRM CNC(=O)CCCNC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000833875035 605966034 /nfs/dbraw/zinc/96/60/34/605966034.db2.gz HERZKGGWQQSJFI-JTQLQIEISA-N -1 0 315.374 -0.894 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N[C@H]2CC[C@H](O)CC2)CC1 ZINC000834040579 605967472 /nfs/dbraw/zinc/96/74/72/605967472.db2.gz DFAYZXGVZXBKLM-HAQNSBGRSA-N -1 0 314.386 -0.115 20 0 DBADRM Cc1nccn1CCNC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000833918942 605967901 /nfs/dbraw/zinc/96/79/01/605967901.db2.gz WYKXCSYSLXROCJ-GFCCVEGCSA-N -1 0 324.385 -0.215 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)CO)CC1 ZINC000833481886 605970745 /nfs/dbraw/zinc/97/07/45/605970745.db2.gz XSLRTZSMAXEJJL-JTQLQIEISA-N -1 0 301.343 -0.668 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)CO)CC2)C1 ZINC000834170256 605971898 /nfs/dbraw/zinc/97/18/98/605971898.db2.gz YGBRGGAEVDLYPZ-GHMZBOCLSA-N -1 0 313.354 -0.524 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCN3C(=O)OCC[C@H]3C2)C1 ZINC000834070412 605972499 /nfs/dbraw/zinc/97/24/99/605972499.db2.gz XYKBRHUVWGMKRO-VIFPVBQESA-N -1 0 313.310 -0.582 20 0 DBADRM CNC(=O)CCCN(C)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000833875235 605975980 /nfs/dbraw/zinc/97/59/80/605975980.db2.gz LXPDWHBZIULTFG-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000833982201 605980368 /nfs/dbraw/zinc/98/03/68/605980368.db2.gz ZQFDIMUQHKJMSO-VXGBXAGGSA-N -1 0 320.349 -0.016 20 0 DBADRM O=C(CCOC1CN(C(=O)[O-])C1)N[C@H](CO)C1CCOCC1 ZINC000833993727 605981204 /nfs/dbraw/zinc/98/12/04/605981204.db2.gz YAIMFUNVXMAQOX-GFCCVEGCSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2cccc3c2OCO3)C1 ZINC000834056836 605987158 /nfs/dbraw/zinc/98/71/58/605987158.db2.gz XQCBKQIVHHWFED-UHFFFAOYSA-N -1 0 307.262 -0.168 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C1CC1 ZINC000834141487 605991246 /nfs/dbraw/zinc/99/12/46/605991246.db2.gz CTVPMZTXJSKDDP-MWLCHTKSSA-N -1 0 321.337 -0.075 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCN(C(=O)C3CC3)CC2)C1 ZINC000834156684 605992907 /nfs/dbraw/zinc/99/29/07/605992907.db2.gz CPNLBZLRFZKDRC-LLVKDONJSA-N -1 0 310.354 -0.633 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCC(C3OCCO3)CC2)C1 ZINC000834157684 605995673 /nfs/dbraw/zinc/99/56/73/605995673.db2.gz LBNDVZSZEWJPFB-NSHDSACASA-N -1 0 313.354 -0.103 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCC[C@@H]2Cn2cncn2)C1 ZINC000834157170 605995706 /nfs/dbraw/zinc/99/57/06/605995706.db2.gz HOECAJMZHAVZDB-GHMZBOCLSA-N -1 0 308.342 -0.432 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCC(C3OCCO3)CC2)C1 ZINC000834157683 605995906 /nfs/dbraw/zinc/99/59/06/605995906.db2.gz LBNDVZSZEWJPFB-LLVKDONJSA-N -1 0 313.354 -0.103 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CC[C@H](N3CCOCC3)C2)C1 ZINC000834157214 605996007 /nfs/dbraw/zinc/99/60/07/605996007.db2.gz HXQVLQAJYPKGLY-RYUDHWBXSA-N -1 0 312.370 -0.781 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)N[C@H]2CCS(=O)(=O)C2)cn1 ZINC000834279465 606000531 /nfs/dbraw/zinc/00/05/31/606000531.db2.gz KLEONWYTYBGNIS-LURJTMIESA-N -1 0 300.296 -0.517 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccc(Cl)cn1 ZINC000834195978 606000953 /nfs/dbraw/zinc/00/09/53/606000953.db2.gz GUJRMQFFANQYBI-UHFFFAOYSA-N -1 0 300.702 -0.265 20 0 DBADRM NC(=O)CN1CCC(NC(=O)[C@@H](CC(F)F)NC(=O)[O-])CC1 ZINC000833985697 606005086 /nfs/dbraw/zinc/00/50/86/606005086.db2.gz UEZGONZVBMWRGD-MRVPVSSYSA-N -1 0 322.312 -0.656 20 0 DBADRM C[C@@H]1[C@H](C)N(Cn2nc3cnccn3c2=O)CCN1C(=O)[O-] ZINC000833827118 606012229 /nfs/dbraw/zinc/01/22/29/606012229.db2.gz KCNAIEQJRHIAQE-VHSXEESVSA-N -1 0 306.326 -0.079 20 0 DBADRM O=C([O-])NC1CCN(C(=O)NCC(=O)N2CCOCC2)CC1 ZINC000834187396 606017227 /nfs/dbraw/zinc/01/72/27/606017227.db2.gz XRZQTDOVWRMQTI-UHFFFAOYSA-N -1 0 314.342 -0.713 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)NCC(=O)N1CCOCC1)C1CC1 ZINC000834147438 606017239 /nfs/dbraw/zinc/01/72/39/606017239.db2.gz RDBHPKNGLVDRRI-SNVBAGLBSA-N -1 0 314.342 -0.809 20 0 DBADRM O=C([O-])NC1CCC(C(=O)NCC(=O)N2CCOCC2)CC1 ZINC000834169142 606021832 /nfs/dbraw/zinc/02/18/32/606021832.db2.gz JRULSFXGTKJHRV-UHFFFAOYSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NC[C@@]1(O)CCOC1 ZINC000834210183 606027598 /nfs/dbraw/zinc/02/75/98/606027598.db2.gz HZPKZBMEDAQQOQ-KWBADKCTSA-N -1 0 301.343 -0.127 20 0 DBADRM O=C([O-])N(CC(=O)NC[C@]1(O)CCOC1)C[C@H]1CCCO1 ZINC000834006141 606034748 /nfs/dbraw/zinc/03/47/48/606034748.db2.gz IYOKITUNBMYRGI-ZWNOBZJWSA-N -1 0 302.327 -0.587 20 0 DBADRM O=C([O-])N(CC(=O)NC[C@@]1(O)CCOC1)C[C@@H]1CCCO1 ZINC000834006135 606035028 /nfs/dbraw/zinc/03/50/28/606035028.db2.gz IYOKITUNBMYRGI-GWCFXTLKSA-N -1 0 302.327 -0.587 20 0 DBADRM O=C([O-])N1CCC[C@H](OCC(=O)NC[C@@]2(O)CCOC2)C1 ZINC000834011608 606035233 /nfs/dbraw/zinc/03/52/33/606035233.db2.gz YVCUFFKLWMZZQS-GWCFXTLKSA-N -1 0 302.327 -0.587 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000834280494 606056592 /nfs/dbraw/zinc/05/65/92/606056592.db2.gz SYVIAOBPHRHOHL-UHFFFAOYSA-N -1 0 300.296 -0.563 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)NCCN2C(=O)CCC2=O)cn1 ZINC000834280404 606058024 /nfs/dbraw/zinc/05/80/24/606058024.db2.gz RLLGFDYJDSAWEE-UHFFFAOYSA-N -1 0 307.266 -0.555 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])NN1CCCNC1=O ZINC000834007172 606065010 /nfs/dbraw/zinc/06/50/10/606065010.db2.gz RXYACUAROMPPMC-SECBINFHSA-N -1 0 300.315 -0.408 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000834128282 606065943 /nfs/dbraw/zinc/06/59/43/606065943.db2.gz AXFRWWPXVJUBAV-BQBZGAKWSA-N -1 0 306.269 -0.486 20 0 DBADRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCCOCC(N)=O ZINC000833824841 606070145 /nfs/dbraw/zinc/07/01/45/606070145.db2.gz JAMAWCLLHHNIRS-NOZJJQNGSA-N -1 0 301.343 -0.179 20 0 DBADRM NC(=O)CNC(=S)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1 ZINC000833985853 606076140 /nfs/dbraw/zinc/07/61/40/606076140.db2.gz YUIGDFCXCNPPQP-CIUDSAMLSA-N -1 0 300.384 -0.286 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)CCOC1CN(C(=O)[O-])C1)CC2 ZINC000833927594 606083718 /nfs/dbraw/zinc/08/37/18/606083718.db2.gz MTLUGAUKYBVQEN-SNVBAGLBSA-N -1 0 323.353 -0.214 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCC1CCS(=O)(=O)CC1 ZINC000834011340 606086848 /nfs/dbraw/zinc/08/68/48/606086848.db2.gz UOBYOKVSCKKEBI-UHFFFAOYSA-N -1 0 320.367 -0.694 20 0 DBADRM O=C([O-])N1CC[C@@H](C(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000834029989 606087004 /nfs/dbraw/zinc/08/70/04/606087004.db2.gz FLBVEBHETQEEKY-SNVBAGLBSA-N -1 0 304.368 -0.073 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCC1CCS(=O)(=O)CC1 ZINC000834030651 606087109 /nfs/dbraw/zinc/08/71/09/606087109.db2.gz IMTHTXTUZNCNFH-SECBINFHSA-N -1 0 322.408 -0.020 20 0 DBADRM Cc1sc(C(N)=O)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833938374 606099242 /nfs/dbraw/zinc/09/92/42/606099242.db2.gz XEHJDHFQTYVDHZ-ZCFIWIBFSA-N -1 0 314.323 -0.394 20 0 DBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2cnc3c(c2)COCC3)C1 ZINC000834057345 606109745 /nfs/dbraw/zinc/10/97/45/606109745.db2.gz DBVCASNFSCBEPS-UHFFFAOYSA-N -1 0 320.305 -0.429 20 0 DBADRM CCCN(CC(=O)NC)C(=O)CCOC1CN(C(=O)[O-])C1 ZINC000833853138 606111450 /nfs/dbraw/zinc/11/14/50/606111450.db2.gz IGBUVEYXEZPTKB-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM O=C([O-])N1CC(OCCC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000834075415 606113942 /nfs/dbraw/zinc/11/39/42/606113942.db2.gz XKMROESUTUCAKU-UHFFFAOYSA-N -1 0 306.340 -0.988 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C ZINC000820479785 606285494 /nfs/dbraw/zinc/28/54/94/606285494.db2.gz CBKQMQQEFKPLBM-ZJUUUORDSA-N -1 0 319.369 -0.278 20 0 DBADRM COCCO[N-]C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821692752 606380882 /nfs/dbraw/zinc/38/08/82/606380882.db2.gz AGSSDEDUINWBQY-UHFFFAOYSA-N -1 0 320.309 -0.709 20 0 DBADRM CCC[C@@H]1C[C@@H]1Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821034826 606420011 /nfs/dbraw/zinc/42/00/11/606420011.db2.gz UXFXQGRHZSJXNA-SFYZADRCSA-N -1 0 305.342 -0.135 20 0 DBADRM O=c1cc(CSC[C@H](O)CO)nc2c(-c3nn[nH]n3)c[n-]n21 ZINC000823713688 606429625 /nfs/dbraw/zinc/42/96/25/606429625.db2.gz IBBKQKXIDCUELG-SSDOTTSWSA-N -1 0 323.338 -0.799 20 0 DBADRM O=c1cc(CSC[C@@H](O)CO)nc2c(-c3nn[nH]n3)c[n-]n21 ZINC000823713689 606430022 /nfs/dbraw/zinc/43/00/22/606430022.db2.gz IBBKQKXIDCUELG-ZETCQYMHSA-N -1 0 323.338 -0.799 20 0 DBADRM COC(=O)[C@H](NC(=O)c1cc(-c2nn[nH]n2)cn1C)C1CC1 ZINC000821640139 606522570 /nfs/dbraw/zinc/52/25/70/606522570.db2.gz BMYDJUWCUUWUBB-SNVBAGLBSA-N -1 0 304.310 -0.113 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(Oc2cccnc2F)n(C)c1=O ZINC000822604863 606633776 /nfs/dbraw/zinc/63/37/76/606633776.db2.gz NPOIOYAFLVGTBQ-UHFFFAOYSA-N -1 0 319.256 -0.410 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2CCCOC2)c1=O ZINC000821565462 606768831 /nfs/dbraw/zinc/76/88/31/606768831.db2.gz UIXZSIGORWEKBG-SECBINFHSA-N -1 0 306.326 -0.363 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000388255136 607108494 /nfs/dbraw/zinc/10/84/94/607108494.db2.gz LFXRBIGLXWRUGB-SNVBAGLBSA-N -1 0 303.278 -0.208 20 0 DBADRM CCCCOCCCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821072081 607205262 /nfs/dbraw/zinc/20/52/62/607205262.db2.gz QQYHWYGTJLOGTD-UHFFFAOYSA-N -1 0 308.346 -0.219 20 0 DBADRM COc1ncccc1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821920191 607206404 /nfs/dbraw/zinc/20/64/04/607206404.db2.gz NHQBNMHKEDPOLG-UHFFFAOYSA-N -1 0 315.297 -0.822 20 0 DBADRM COc1cc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)ccn1 ZINC000821717304 607206442 /nfs/dbraw/zinc/20/64/42/607206442.db2.gz NGCVHRXJJLCGET-UHFFFAOYSA-N -1 0 315.297 -0.822 20 0 DBADRM CC(C)n1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cn1 ZINC000820211444 607213058 /nfs/dbraw/zinc/21/30/58/607213058.db2.gz MYZHNZGCWQANNY-UHFFFAOYSA-N -1 0 302.302 -0.126 20 0 DBADRM CC(C)C[C@@H]1COCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820067531 607216463 /nfs/dbraw/zinc/21/64/63/607216463.db2.gz JUVOARGJNFDFMN-SNVBAGLBSA-N -1 0 320.357 -0.268 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@H]1CCCC[C@@H]1O ZINC000823127047 607219117 /nfs/dbraw/zinc/21/91/17/607219117.db2.gz RIPBQGKBQGNOKQ-BDAKNGLRSA-N -1 0 306.330 -0.875 20 0 DBADRM CC[C@H]1CO[C@H](C)CN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821000297 607220404 /nfs/dbraw/zinc/22/04/04/607220404.db2.gz CHUBOFZDJLHUKD-BDAKNGLRSA-N -1 0 306.330 -0.516 20 0 DBADRM CC[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC000820913468 607221049 /nfs/dbraw/zinc/22/10/49/607221049.db2.gz GEWAGUNTVORQOI-JTQLQIEISA-N -1 0 320.357 -0.220 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCCc2[nH]ccc21 ZINC000823127008 607222071 /nfs/dbraw/zinc/22/20/71/607222071.db2.gz QQDYGQHXZHXTIG-JTQLQIEISA-N -1 0 313.325 -0.020 20 0 DBADRM CC(C)C[C@H](CCO)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820055610 607223462 /nfs/dbraw/zinc/22/34/62/607223462.db2.gz IVAFOPHBIPHOII-JTQLQIEISA-N -1 0 322.373 -0.381 20 0 DBADRM COc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c(C)n1 ZINC000821831791 607223650 /nfs/dbraw/zinc/22/36/50/607223650.db2.gz MPQBQHJHZQJBDM-UHFFFAOYSA-N -1 0 315.297 -0.191 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@H](O)c1ccccc1 ZINC000823126688 607223935 /nfs/dbraw/zinc/22/39/35/607223935.db2.gz LKJPXBAUMWXPRF-JTQLQIEISA-N -1 0 314.309 -0.692 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000823127087 607223973 /nfs/dbraw/zinc/22/39/73/607223973.db2.gz SLDYKGMNFFOLHW-AEJSXWLSSA-N -1 0 318.341 -0.468 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC(C(F)F)CC1 ZINC000823123104 607224236 /nfs/dbraw/zinc/22/42/36/607224236.db2.gz NYUFOFCNMHVRDK-UHFFFAOYSA-N -1 0 312.284 -0.038 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC1(CO)CCCCC1 ZINC000823125737 607224513 /nfs/dbraw/zinc/22/45/13/607224513.db2.gz CNGWREUVHGLKPO-UHFFFAOYSA-N -1 0 320.357 -0.483 20 0 DBADRM CN(CCCn1ccnc1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821601353 607224855 /nfs/dbraw/zinc/22/48/55/607224855.db2.gz CKZYJVRKUHIOKP-UHFFFAOYSA-N -1 0 316.329 -0.797 20 0 DBADRM C[C@H]1OCC[C@H]1Sc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825022860 607820167 /nfs/dbraw/zinc/82/01/67/607820167.db2.gz ZOYXOZGNCSOJQA-RNFRBKRXSA-N -1 0 324.366 -0.466 20 0 DBADRM CC(C)CSCCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824275530 607917123 /nfs/dbraw/zinc/91/71/23/607917123.db2.gz VWDLCIMGCKLLII-UHFFFAOYSA-N -1 0 310.387 -0.036 20 0 DBADRM C[C@H](CO)CCCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000824437145 607967360 /nfs/dbraw/zinc/96/73/60/607967360.db2.gz ZBFAVYBVIPSDAQ-QMMMGPOBSA-N -1 0 323.357 -0.915 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC000825897646 608009869 /nfs/dbraw/zinc/00/98/69/608009869.db2.gz JKZWXOFMJRNYMK-UHFFFAOYSA-N -1 0 315.286 -0.289 20 0 DBADRM O=C([O-])CCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000826461014 608010348 /nfs/dbraw/zinc/01/03/48/608010348.db2.gz BSPLCTPDZUTFIJ-UHFFFAOYSA-N -1 0 312.311 -0.595 20 0 DBADRM O=C([O-])CNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000826461338 608010912 /nfs/dbraw/zinc/01/09/12/608010912.db2.gz QKBBSBMAYUPQLF-UHFFFAOYSA-N -1 0 317.714 -0.117 20 0 DBADRM Cc1nc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)oc1C ZINC000826327161 608095798 /nfs/dbraw/zinc/09/57/98/608095798.db2.gz VHPWURBUTVSKDO-UHFFFAOYSA-N -1 0 303.282 -0.620 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CCCCCCCO)c1=O ZINC000826356518 608095962 /nfs/dbraw/zinc/09/59/62/608095962.db2.gz UTBJMRFEXWOUNC-UHFFFAOYSA-N -1 0 308.342 -0.330 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2cccnc2Cl)c1=O ZINC000826356703 608096010 /nfs/dbraw/zinc/09/60/10/608096010.db2.gz BTRSPUJKYFTYCK-UHFFFAOYSA-N -1 0 319.712 -0.176 20 0 DBADRM CC(C)c1cnc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)o1 ZINC000824352564 608096202 /nfs/dbraw/zinc/09/62/02/608096202.db2.gz ITLUTYIAIGIWJR-UHFFFAOYSA-N -1 0 317.309 -0.113 20 0 DBADRM Cc1c(NC(=O)Cc2[nH]c(O)nc2O)cccc1-c1nnn[n-]1 ZINC000826241994 608194202 /nfs/dbraw/zinc/19/42/02/608194202.db2.gz WKZNOZOSULMBAM-VIFPVBQESA-N -1 0 315.293 -0.288 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000826470724 608202005 /nfs/dbraw/zinc/20/20/05/608202005.db2.gz AHEQXCZHXNFYAY-ZETCQYMHSA-N -1 0 314.313 -0.272 20 0 DBADRM C[C@@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@@H]1C ZINC000824961841 608302622 /nfs/dbraw/zinc/30/26/22/608302622.db2.gz JWEONAFOQOWSRQ-BDAKNGLRSA-N -1 0 319.369 -0.254 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)cc1)OCc1n[nH]c(=O)[n-]1 ZINC000826421918 608447096 /nfs/dbraw/zinc/44/70/96/608447096.db2.gz FPWJTUHRBTWKCF-UHFFFAOYSA-N -1 0 301.266 -0.024 20 0 DBADRM CCc1nn(C[C@@H](O)COC)c(=O)c(-c2nnn[n-]2)c1CC ZINC000825763530 609186343 /nfs/dbraw/zinc/18/63/43/609186343.db2.gz YWUPTDMORAXBIM-MRVPVSSYSA-N -1 0 308.342 -0.445 20 0 DBADRM C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1cncc(F)c1 ZINC000824491436 609426312 /nfs/dbraw/zinc/42/63/12/609426312.db2.gz UTFNAHCONVKMTB-ZETCQYMHSA-N -1 0 317.288 -0.130 20 0 DBADRM C[C@@](O)(CNC(=O)CCNC(=O)c1cccs1)C(=O)[O-] ZINC000090275551 663806640 /nfs/dbraw/zinc/80/66/40/663806640.db2.gz PRTMENGIKRPPOV-GFCCVEGCSA-N -1 0 300.336 -0.180 20 0 DBADRM CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc([O-])n(C)c1=O ZINC000976935934 665407644 /nfs/dbraw/zinc/40/76/44/665407644.db2.gz WFYKLGVYUDYPKG-IAZYJMLFSA-N -1 0 320.349 -0.527 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cnon1 ZINC000977381313 665464110 /nfs/dbraw/zinc/46/41/10/665464110.db2.gz JYIJBDSHMZWRQI-QMMMGPOBSA-N -1 0 307.314 -0.466 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001027524913 665471397 /nfs/dbraw/zinc/47/13/97/665471397.db2.gz SKHAVTRUYBORFH-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001027535905 665479531 /nfs/dbraw/zinc/47/95/31/665479531.db2.gz LOABVSYALDUISB-MEWQQHAOSA-N -1 0 321.381 -0.175 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cn1cncn1 ZINC000977554283 665480709 /nfs/dbraw/zinc/48/07/09/665480709.db2.gz SJXVIAXJLYRXKJ-VIFPVBQESA-N -1 0 320.357 -0.871 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001027554920 665496789 /nfs/dbraw/zinc/49/67/89/665496789.db2.gz YZGADNWGCPFSBV-VIFPVBQESA-N -1 0 322.369 -0.801 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cn[nH]c1 ZINC000977863172 665504246 /nfs/dbraw/zinc/50/42/46/665504246.db2.gz OZMDSSGOEGZQJT-OWUUHHOZSA-N -1 0 303.326 -0.659 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@@H]1CCCOC1 ZINC000977943251 665506873 /nfs/dbraw/zinc/50/68/73/665506873.db2.gz SHJKWNKMCNWVIJ-KKOKHZNYSA-N -1 0 321.381 -0.269 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1=CCOCC1 ZINC000978070585 665516737 /nfs/dbraw/zinc/51/67/37/665516737.db2.gz YNGGXNKBSVRMIE-CNDDSTCGSA-N -1 0 319.365 -0.349 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ncc[nH]1 ZINC000978165482 665522830 /nfs/dbraw/zinc/52/28/30/665522830.db2.gz ZLJVQOORZWCNDZ-PSVAKVPMSA-N -1 0 303.326 -0.659 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000978189259 665525612 /nfs/dbraw/zinc/52/56/12/665525612.db2.gz FOMAIIHGANYMFI-AEJSXWLSSA-N -1 0 323.353 -0.595 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000978554171 665543235 /nfs/dbraw/zinc/54/32/35/665543235.db2.gz QXGCOIIHRCTCLU-LURQLKTLSA-N -1 0 321.337 -0.437 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000978727484 665563509 /nfs/dbraw/zinc/56/35/09/665563509.db2.gz ILGFXUMNPWJHSL-YFVNTRNASA-N -1 0 321.381 -0.271 20 0 DBADRM CCC(=O)N1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001009887169 665565031 /nfs/dbraw/zinc/56/50/31/665565031.db2.gz FZYAQKSAEMBLFA-YUMQZZPRSA-N -1 0 309.326 -0.340 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cccnn1 ZINC000978888359 665580021 /nfs/dbraw/zinc/58/00/21/665580021.db2.gz BGHBUZNXFNZKIN-OWUUHHOZSA-N -1 0 315.337 -0.592 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001027701870 665585231 /nfs/dbraw/zinc/58/52/31/665585231.db2.gz LJVDLTNRZGCLML-NSHDSACASA-N -1 0 319.369 -0.170 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cn[nH]n3)C2)c1[O-] ZINC000979017782 665594906 /nfs/dbraw/zinc/59/49/06/665594906.db2.gz RIUFUQJXTCQMEV-OCAPTIKFSA-N -1 0 319.325 -0.520 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1ccc(=O)[nH]n1 ZINC001027737512 665612860 /nfs/dbraw/zinc/61/28/60/665612860.db2.gz OXYJWFZDEKIYIT-QMMMGPOBSA-N -1 0 319.325 -0.600 20 0 DBADRM C[C@H]([NH2+]Cc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC000979234988 665622249 /nfs/dbraw/zinc/62/22/49/665622249.db2.gz QKGALRDILRSKEJ-WPRPVWTQSA-N -1 0 321.341 -0.747 20 0 DBADRM C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)C2(C)CC2)CCO1 ZINC000979292639 665626658 /nfs/dbraw/zinc/62/66/58/665626658.db2.gz FXPBVWWVQQBLFV-QWRGUYRKSA-N -1 0 323.397 -0.386 20 0 DBADRM Nc1nccnc1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027799454 665655196 /nfs/dbraw/zinc/65/51/96/665655196.db2.gz CYDCVDOCUMWPJL-MRVPVSSYSA-N -1 0 318.341 -0.723 20 0 DBADRM Cc1c(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)nnn1C ZINC001027804358 665657373 /nfs/dbraw/zinc/65/73/73/665657373.db2.gz ZINCTGKZLBDNAS-VIFPVBQESA-N -1 0 320.357 -0.658 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2CC(=O)NC2CC2)c1[O-] ZINC001027833021 665684093 /nfs/dbraw/zinc/68/40/93/665684093.db2.gz LNHRYUVRQHCREN-NSHDSACASA-N -1 0 321.381 -0.103 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2CC(=O)NC2CC2)c1[O-] ZINC001027833020 665684302 /nfs/dbraw/zinc/68/43/02/665684302.db2.gz LNHRYUVRQHCREN-LLVKDONJSA-N -1 0 321.381 -0.103 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)C1=CCOCC1 ZINC001027841441 665691696 /nfs/dbraw/zinc/69/16/96/665691696.db2.gz FYGCURDMBDVYCF-LLVKDONJSA-N -1 0 307.354 -0.062 20 0 DBADRM Cn1oc(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)cc1=O ZINC001027850664 665697119 /nfs/dbraw/zinc/69/71/19/665697119.db2.gz WNLMMLXPNORMOY-QMMMGPOBSA-N -1 0 322.325 -0.804 20 0 DBADRM Cn1cnc(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001027866801 665711376 /nfs/dbraw/zinc/71/13/76/665711376.db2.gz FLVRXLFUGGGXTQ-QMMMGPOBSA-N -1 0 306.330 -0.967 20 0 DBADRM CCn1nncc1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027870795 665715884 /nfs/dbraw/zinc/71/58/84/665715884.db2.gz CNEYQBJVQJQKNW-VIFPVBQESA-N -1 0 320.357 -0.484 20 0 DBADRM O=C(Cn1cccn1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980709900 665791589 /nfs/dbraw/zinc/79/15/89/665791589.db2.gz QXEFFDJRRHYMCY-UHFFFAOYSA-N -1 0 305.342 -0.559 20 0 DBADRM C[C@@H]1C[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)Cc1nnc[nH]1 ZINC000980760045 665796004 /nfs/dbraw/zinc/79/60/04/665796004.db2.gz PHNPHLKLHCNDNS-RKDXNWHRSA-N -1 0 320.357 -0.802 20 0 DBADRM Cc1nc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)c[nH]1 ZINC000980843264 665805138 /nfs/dbraw/zinc/80/51/38/665805138.db2.gz VLEBCJDUEXIPPJ-UHFFFAOYSA-N -1 0 305.342 -0.110 20 0 DBADRM Cc1c(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)nnn1C ZINC000980889194 665809545 /nfs/dbraw/zinc/80/95/45/665809545.db2.gz WJNMDKZYYRQTDL-UHFFFAOYSA-N -1 0 320.357 -0.705 20 0 DBADRM Cn1cncc1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001028005206 665809555 /nfs/dbraw/zinc/80/95/55/665809555.db2.gz ZFCGRXPIJAYOML-SECBINFHSA-N -1 0 305.342 -0.362 20 0 DBADRM C[C@H](C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)n1cncn1 ZINC000981009723 665816447 /nfs/dbraw/zinc/81/64/47/665816447.db2.gz HRXLPZOMLBPOHF-SNVBAGLBSA-N -1 0 320.357 -0.603 20 0 DBADRM CO[C@@H](C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)C1CC1 ZINC000981075848 665820685 /nfs/dbraw/zinc/82/06/85/665820685.db2.gz MVDOQAIGMABOLO-GFCCVEGCSA-N -1 0 309.370 -0.030 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cccc2ncccc21)C(=O)[O-] ZINC000317493593 665822642 /nfs/dbraw/zinc/82/26/42/665822642.db2.gz MZFLQYJXLXRMMZ-SNVBAGLBSA-N -1 0 323.330 -0.158 20 0 DBADRM Cn1nccc1CC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981061273 665818193 /nfs/dbraw/zinc/81/81/93/665818193.db2.gz XZMCFKLRXYKBDB-UHFFFAOYSA-N -1 0 319.369 -0.479 20 0 DBADRM CN1C[C@@H](C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1=O ZINC000981277339 665838553 /nfs/dbraw/zinc/83/85/53/665838553.db2.gz DFDVTDBBJCJHJX-JTQLQIEISA-N -1 0 322.369 -0.977 20 0 DBADRM O=C(C[C@H]1CCNC1=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981321416 665842821 /nfs/dbraw/zinc/84/28/21/665842821.db2.gz CBINVECIOHKERU-SNVBAGLBSA-N -1 0 322.369 -0.929 20 0 DBADRM O=C([C@H]1CCCNC1=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981391975 665848523 /nfs/dbraw/zinc/84/85/23/665848523.db2.gz ZBAIAJAWTBLQII-JTQLQIEISA-N -1 0 322.369 -0.929 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001028092700 665850198 /nfs/dbraw/zinc/85/01/98/665850198.db2.gz CIWWVUVETAVVHU-NXEZZACHSA-N -1 0 322.369 -0.788 20 0 DBADRM Cc1cncn1CC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981625516 665861470 /nfs/dbraw/zinc/86/14/70/665861470.db2.gz XZHKBYZGZPNFKW-UHFFFAOYSA-N -1 0 319.369 -0.250 20 0 DBADRM Cc1ocnc1C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001010347094 665870041 /nfs/dbraw/zinc/87/00/41/665870041.db2.gz FNEOVMRUTJRHGP-SECBINFHSA-N -1 0 306.326 -0.591 20 0 DBADRM NC(=O)[C@H]1CC[C@@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981757173 665873021 /nfs/dbraw/zinc/87/30/21/665873021.db2.gz RVNYPJGMBZZUAY-UWVGGRQHSA-N -1 0 322.369 -0.944 20 0 DBADRM C[C@@H](C(N)=O)N1CCCC2(CN(C(=O)c3cnc[nH]c3=O)C2)C1 ZINC000981832951 665879733 /nfs/dbraw/zinc/87/97/33/665879733.db2.gz MRKZLBCZYUCEQS-JTQLQIEISA-N -1 0 319.365 -0.406 20 0 DBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)C1Cc2ccccc2C1 ZINC000893684156 665895755 /nfs/dbraw/zinc/89/57/55/665895755.db2.gz YWWZOZYJXSJESU-UHFFFAOYSA-N -1 0 317.388 -0.356 20 0 DBADRM Cn1nc(CN2CCC[C@@H]2CNC(=O)c2cccnn2)[n-]c1=O ZINC001028221207 665919633 /nfs/dbraw/zinc/91/96/33/665919633.db2.gz GZBRMTGBQQNSPZ-SNVBAGLBSA-N -1 0 317.353 -0.707 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@H]1CCN(C(C)=O)C1 ZINC000982311341 665954694 /nfs/dbraw/zinc/95/46/94/665954694.db2.gz KZPSHTQFSNOJTI-MRVPVSSYSA-N -1 0 310.310 -0.505 20 0 DBADRM CCC(=O)N1CC[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000982312426 665956714 /nfs/dbraw/zinc/95/67/14/665956714.db2.gz HDTBZBJDGOETBU-VIFPVBQESA-N -1 0 308.338 -0.526 20 0 DBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)CC[C@H]2CCCO2)cn1 ZINC000893712781 665960413 /nfs/dbraw/zinc/96/04/13/665960413.db2.gz RJHAZFCOEWFYNV-LLVKDONJSA-N -1 0 301.368 -0.022 20 0 DBADRM NC(=O)CN1CCC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001028261376 665960822 /nfs/dbraw/zinc/96/08/22/665960822.db2.gz WTKXNRKJRHWNJA-QMMMGPOBSA-N -1 0 319.321 -0.392 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2[C@@H]2CCCN(C)C2=O)c1[O-] ZINC001038164468 665963445 /nfs/dbraw/zinc/96/34/45/665963445.db2.gz JCODBBCMXRWRIM-WDEREUQCSA-N -1 0 321.381 -0.151 20 0 DBADRM C[C@@H](NC(=O)c1ccncc1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000969201548 663804813 /nfs/dbraw/zinc/80/48/13/663804813.db2.gz BNZUNDQMOSXDSB-SNVBAGLBSA-N -1 0 316.365 -0.246 20 0 DBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(N)=O ZINC000035237093 663808197 /nfs/dbraw/zinc/80/81/97/663808197.db2.gz YRKKLAXVUGZXFW-LURJTMIESA-N -1 0 302.308 -0.449 20 0 DBADRM C[C@H](NC(=O)c1cc[n+]([O-])cc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969252153 663809305 /nfs/dbraw/zinc/80/93/05/663809305.db2.gz NOEVOFDRZYZDJA-VIFPVBQESA-N -1 0 318.337 -0.606 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001020455745 663812676 /nfs/dbraw/zinc/81/26/76/663812676.db2.gz DZENXQOTLOQJQK-XAVMHZPKSA-N -1 0 321.337 -0.342 20 0 DBADRM C[C@@H](NC(=O)c1ccon1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000969330828 663816015 /nfs/dbraw/zinc/81/60/15/663816015.db2.gz XOQRMIUABYVSJT-MRVPVSSYSA-N -1 0 306.326 -0.653 20 0 DBADRM Cc1nccc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001039032213 663821256 /nfs/dbraw/zinc/82/12/56/663821256.db2.gz JMDZUISSJXRXEB-SECBINFHSA-N -1 0 303.326 -0.387 20 0 DBADRM C[C@H](NC(=O)c1ccnn1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969385637 663823914 /nfs/dbraw/zinc/82/39/14/663823914.db2.gz RENFJENTUHKJDP-QMMMGPOBSA-N -1 0 305.342 -0.506 20 0 DBADRM Cc1c(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nnn1C ZINC000969433142 663830036 /nfs/dbraw/zinc/83/00/36/663830036.db2.gz JZNLANQQMKDAKJ-ZETCQYMHSA-N -1 0 320.357 -0.802 20 0 DBADRM C[C@@H](NC(=O)c1cn(C)cn1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000969496305 663838120 /nfs/dbraw/zinc/83/81/20/663838120.db2.gz DCFXMQULEXDDDH-SECBINFHSA-N -1 0 319.369 -0.908 20 0 DBADRM C[C@H](NC(=O)c1cnc[nH]c1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969926324 663881865 /nfs/dbraw/zinc/88/18/65/663881865.db2.gz HYONIIVUIZVFDA-ZETCQYMHSA-N -1 0 319.325 -0.744 20 0 DBADRM CC(=O)NC[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001020778539 663904455 /nfs/dbraw/zinc/90/44/55/663904455.db2.gz IMRYYFMJHOURMQ-SCZZXKLOSA-N -1 0 311.342 -0.690 20 0 DBADRM CC(=O)N1CC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC001020871790 663915123 /nfs/dbraw/zinc/91/51/23/663915123.db2.gz VWGYVZNWQHAFKQ-GXSJLCMTSA-N -1 0 306.322 -0.821 20 0 DBADRM COCc1nocc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001020918062 663921503 /nfs/dbraw/zinc/92/15/03/663921503.db2.gz UUASHZJPMZZMRD-ZKCHVHJHSA-N -1 0 322.325 -0.305 20 0 DBADRM CCN(C(=O)C1CCC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000967717530 663929552 /nfs/dbraw/zinc/92/95/52/663929552.db2.gz ZCAGKWVROBIAMR-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001020980832 663930523 /nfs/dbraw/zinc/93/05/23/663930523.db2.gz TWVVTEUTLVAUKO-KYZUINATSA-N -1 0 305.342 -0.479 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CCS(C)(=O)=O)C2)c1[O-] ZINC001010628391 663941275 /nfs/dbraw/zinc/94/12/75/663941275.db2.gz KOAJQGXKCPCZBG-SECBINFHSA-N -1 0 316.383 -0.728 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCC(=O)N1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970319233 663968833 /nfs/dbraw/zinc/96/88/33/663968833.db2.gz SAXRELFCZPPMGG-PSASIEDQSA-N -1 0 322.369 -0.932 20 0 DBADRM C[C@H](NC(=O)c1ccnnc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970487274 663998925 /nfs/dbraw/zinc/99/89/25/663998925.db2.gz APXUAGANSGMUGK-QMMMGPOBSA-N -1 0 303.326 -0.449 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](NCc2ccon2)C1 ZINC000970581894 664012271 /nfs/dbraw/zinc/01/22/71/664012271.db2.gz OOUYBHRLYLGOJQ-SECBINFHSA-N -1 0 308.298 -0.932 20 0 DBADRM C[C@H](NC(=O)c1cccnn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970637750 664024633 /nfs/dbraw/zinc/02/46/33/664024633.db2.gz UINROHCHEPKKFR-QMMMGPOBSA-N -1 0 303.326 -0.449 20 0 DBADRM CCn1cc(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC000970660314 664029987 /nfs/dbraw/zinc/02/99/87/664029987.db2.gz PRCUCVHWAUKZFW-MRVPVSSYSA-N -1 0 320.357 -0.628 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000909843314 674582203 /nfs/dbraw/zinc/58/22/03/674582203.db2.gz SSFIQCNDMBBESJ-LBPRGKRZSA-N -1 0 321.399 -0.562 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)CC3CC3)[C@H](O)C2)c1[O-] ZINC000991207771 674582771 /nfs/dbraw/zinc/58/27/71/674582771.db2.gz YFZTXNNTZDAAFA-WDEREUQCSA-N -1 0 322.365 -0.085 20 0 DBADRM NC(=O)CC(=O)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CC[C@H]21 ZINC001021547710 664060338 /nfs/dbraw/zinc/06/03/38/664060338.db2.gz JJWNKESXWUGGPW-VHSXEESVSA-N -1 0 322.369 -0.801 20 0 DBADRM Cc1nccc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000970895617 664070854 /nfs/dbraw/zinc/07/08/54/664070854.db2.gz PKJDNDZQIJCYKD-QMMMGPOBSA-N -1 0 317.353 -0.141 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2nonc2C)c1[O-] ZINC000949435954 664086833 /nfs/dbraw/zinc/08/68/33/664086833.db2.gz UWNMKTGIBSKZJV-MRVPVSSYSA-N -1 0 320.309 -0.240 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC000971021224 664095389 /nfs/dbraw/zinc/09/53/89/664095389.db2.gz QJFAWXVQOVFNPC-LLVKDONJSA-N -1 0 318.337 -0.510 20 0 DBADRM C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)N(C)C)CC[C@@H]1C(=O)[O-] ZINC000909988240 674589449 /nfs/dbraw/zinc/58/94/49/674589449.db2.gz BBZXZRXVPMBVNX-ZJUUUORDSA-N -1 0 321.399 -0.706 20 0 DBADRM Cc1cc(C(=O)N2CC[C@H](N(C)Cc3nc(=O)n(C)[nH]3)C2)on1 ZINC000971070243 664104914 /nfs/dbraw/zinc/10/49/14/664104914.db2.gz ZTSSGVMGXOMJEE-JTQLQIEISA-N -1 0 320.353 -0.249 20 0 DBADRM Cc1cc(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC000971161478 664118163 /nfs/dbraw/zinc/11/81/63/664118163.db2.gz YMRVBGJSCIJZFT-VIFPVBQESA-N -1 0 305.342 -0.112 20 0 DBADRM Cc1cc(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC000971161476 664118225 /nfs/dbraw/zinc/11/82/25/664118225.db2.gz YMRVBGJSCIJZFT-SECBINFHSA-N -1 0 305.342 -0.112 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2ccnn2C)C1 ZINC000971181726 664121514 /nfs/dbraw/zinc/12/15/14/664121514.db2.gz RKWLDZYTYZGABH-SECBINFHSA-N -1 0 305.342 -0.410 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC000971248234 664129552 /nfs/dbraw/zinc/12/95/52/664129552.db2.gz BTOSVLUROFKVTM-SNVBAGLBSA-N -1 0 305.342 -0.491 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000971248897 664129938 /nfs/dbraw/zinc/12/99/38/664129938.db2.gz HEPWJSKUFZSZEA-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)c2cc(N3CCOCC3)ncn2)C1 ZINC000910060852 674592401 /nfs/dbraw/zinc/59/24/01/674592401.db2.gz LQAIAAONIAXJEJ-UHFFFAOYSA-N -1 0 306.322 -0.140 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)CC(=O)N3CCC3)C2)c1[O-] ZINC000971359398 664147435 /nfs/dbraw/zinc/14/74/35/664147435.db2.gz FVHUVWXYTPAKNA-NSHDSACASA-N -1 0 321.381 -0.198 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)Cc3nnn(C)n3)C2)c1[O-] ZINC000971359339 664147461 /nfs/dbraw/zinc/14/74/61/664147461.db2.gz DYJJKIOXGLCBRZ-SECBINFHSA-N -1 0 320.357 -0.706 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC000971374237 664150632 /nfs/dbraw/zinc/15/06/32/664150632.db2.gz XMYGSGIEPYVGSD-VHSXEESVSA-N -1 0 320.357 -0.604 20 0 DBADRM COc1cc(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC000971381185 664151671 /nfs/dbraw/zinc/15/16/71/664151671.db2.gz MWDWATJWHREZRN-QMMMGPOBSA-N -1 0 322.325 -0.147 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC([C@@H](F)C(=O)[O-])C1 ZINC000910133929 674593546 /nfs/dbraw/zinc/59/35/46/674593546.db2.gz HCXJCEUVFIJHJY-RKDXNWHRSA-N -1 0 308.331 -0.709 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC([C@@H](F)C(=O)[O-])C1 ZINC000910130031 674593912 /nfs/dbraw/zinc/59/39/12/674593912.db2.gz BYUIFFGGBJTKFX-SNVBAGLBSA-N -1 0 310.347 -0.461 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2ncccc2O)C1 ZINC000971394881 664156804 /nfs/dbraw/zinc/15/68/04/664156804.db2.gz RJDWAGDNXGJTEY-SECBINFHSA-N -1 0 318.337 -0.043 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC([C@H](F)C(=O)[O-])C1 ZINC000910135151 674593989 /nfs/dbraw/zinc/59/39/89/674593989.db2.gz MFFXYECOWNHSMX-ZJUUUORDSA-N -1 0 322.358 -0.318 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N2CC([C@H](F)C(=O)[O-])C2)C1 ZINC000910125732 674594474 /nfs/dbraw/zinc/59/44/74/674594474.db2.gz UWMUPEVPQIMHRU-WPRPVWTQSA-N -1 0 322.358 -0.461 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N2CCSC[C@@H](C(=O)[O-])C2)cn1 ZINC000910148984 674595845 /nfs/dbraw/zinc/59/58/45/674595845.db2.gz ZQSUXBKPAWABMU-QWRGUYRKSA-N -1 0 313.379 -0.400 20 0 DBADRM CO[C@@H](C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC000971443720 664175615 /nfs/dbraw/zinc/17/56/15/664175615.db2.gz VWWSCJJMFRBKKN-ZYHUDNBSSA-N -1 0 309.370 -0.032 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650428977 664188628 /nfs/dbraw/zinc/18/86/28/664188628.db2.gz YINFCKBIFZOKMR-LPEHRKFASA-N -1 0 315.351 -0.431 20 0 DBADRM Cc1cn(C)nc1C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000971529836 664199212 /nfs/dbraw/zinc/19/92/12/664199212.db2.gz YAVRCIPLSLTRQH-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000910251148 674598960 /nfs/dbraw/zinc/59/89/60/674598960.db2.gz DUTVJFCRGYFPDB-SNVBAGLBSA-N -1 0 321.399 -0.562 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC000971650678 664225336 /nfs/dbraw/zinc/22/53/36/664225336.db2.gz DAWCXRZNPYRYGJ-NSHDSACASA-N -1 0 319.369 -0.101 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@](C)(C(=O)[O-])C1 ZINC000910321349 674602569 /nfs/dbraw/zinc/60/25/69/674602569.db2.gz NYTBSPWCCHSGFO-CABZTGNLSA-N -1 0 302.352 -0.390 20 0 DBADRM Cc1ncn(C)c1C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000971734417 664246580 /nfs/dbraw/zinc/24/65/80/664246580.db2.gz OKJPZSXBQZFIKF-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(C(=O)C3CC3)C[C@H]21 ZINC001022317314 664259995 /nfs/dbraw/zinc/25/99/95/664259995.db2.gz XKEUCTUHSXWNHX-VHSXEESVSA-N -1 0 321.337 -0.841 20 0 DBADRM CC(C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)=C1CCC1 ZINC000991256717 674604892 /nfs/dbraw/zinc/60/48/92/674604892.db2.gz HJQCZDMQLKCTNZ-UHFFFAOYSA-N -1 0 319.321 -0.276 20 0 DBADRM COC[C@@H]1COCCN1C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000926276206 664273403 /nfs/dbraw/zinc/27/34/03/664273403.db2.gz IHDYJCKTFMNACQ-YGRLFVJLSA-N -1 0 314.338 -0.817 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cn1 ZINC000910434963 674606367 /nfs/dbraw/zinc/60/63/67/674606367.db2.gz HNPVEZUYZVDSHH-IUCAKERBSA-N -1 0 303.265 -0.356 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000910445649 674606831 /nfs/dbraw/zinc/60/68/31/674606831.db2.gz AKTASTFMGJOBGO-IUCAKERBSA-N -1 0 310.347 -0.318 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1cc(N2CCOCC2)ncn1 ZINC000910442168 674607064 /nfs/dbraw/zinc/60/70/64/674607064.db2.gz PYHTXGSWOUKRME-ONGXEEELSA-N -1 0 324.312 -0.050 20 0 DBADRM C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926314301 664291270 /nfs/dbraw/zinc/29/12/70/664291270.db2.gz WXUIFRKQFYHHBU-ADEWGFFLSA-N -1 0 310.350 -0.197 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(c2cc(N3CCOCC3)ncn2)CCO1 ZINC000910478915 674610868 /nfs/dbraw/zinc/61/08/68/674610868.db2.gz GXWCFAZNYGZXBP-AWEZNQCLSA-N -1 0 308.338 -0.007 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CCSC1 ZINC000910489630 674612175 /nfs/dbraw/zinc/61/21/75/674612175.db2.gz LHFIWVCEFHUAQT-VIFPVBQESA-N -1 0 304.368 -0.442 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000910494422 674613722 /nfs/dbraw/zinc/61/37/22/674613722.db2.gz FRIIKDIIEMTSFZ-IWTNGPMKSA-N -1 0 308.334 -0.398 20 0 DBADRM C[C@]12CN(C(=O)C(=O)NCCOCC(=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000910494699 674614524 /nfs/dbraw/zinc/61/45/24/674614524.db2.gz KPPWLWDLNPTHFV-MEQWQQMJSA-N -1 0 322.361 -0.126 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000910496801 674614620 /nfs/dbraw/zinc/61/46/20/674614620.db2.gz OIFMJLVZIKKBOL-NLDQXQBJSA-N -1 0 308.334 -0.398 20 0 DBADRM CCCC(=O)N1CSC[C@H]1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000910532659 674615516 /nfs/dbraw/zinc/61/55/16/674615516.db2.gz ZABSXAXPNISSMK-ZANVPECISA-N -1 0 316.379 -0.264 20 0 DBADRM NC(=O)CN1CCO[C@]2(CCN(C(=O)c3ncccc3O)C2)C1 ZINC000972355198 664374059 /nfs/dbraw/zinc/37/40/59/664374059.db2.gz KBNIQNLDROXBET-OAHLLOKOSA-N -1 0 320.349 -0.811 20 0 DBADRM N#Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1F ZINC000291897782 664374785 /nfs/dbraw/zinc/37/47/85/664374785.db2.gz PZCWFXNOEXEMJE-LDYMZIIASA-N -1 0 314.294 -0.094 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CCC3)C2)c1[O-] ZINC001022870785 664392662 /nfs/dbraw/zinc/39/26/62/664392662.db2.gz QNCXOYJCPLXHDZ-NXEZZACHSA-N -1 0 308.338 -0.475 20 0 DBADRM CC[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@@]1(F)C(=O)[O-] ZINC000910547446 674617692 /nfs/dbraw/zinc/61/76/92/674617692.db2.gz YCVCEQGCTHWTJI-KCJUWKMLSA-N -1 0 310.347 -0.461 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1cnn(C)c1 ZINC000262227957 664411881 /nfs/dbraw/zinc/41/18/81/664411881.db2.gz RZNGKTQLXVGJJB-SNVBAGLBSA-N -1 0 308.338 -0.185 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC000262257390 664423546 /nfs/dbraw/zinc/42/35/46/664423546.db2.gz XHDUJJNENXQMDQ-NXEZZACHSA-N -1 0 304.368 -0.409 20 0 DBADRM CC[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@@]1(F)C(=O)[O-] ZINC000910555572 674619712 /nfs/dbraw/zinc/61/97/12/674619712.db2.gz LCMNGTXUEMOMBH-KCJUWKMLSA-N -1 0 310.347 -0.461 20 0 DBADRM CO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2O)C1 ZINC001023079787 664438340 /nfs/dbraw/zinc/43/83/40/664438340.db2.gz CYICUVHLNHUAHW-IRUJWGPZSA-N -1 0 308.334 -0.271 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CN3CCCCS3(=O)=O)C[C@@H]21 ZINC000910801981 674646174 /nfs/dbraw/zinc/64/61/74/674646174.db2.gz NLAWQTPUNLIQIH-JZYVYDRUSA-N -1 0 302.352 -0.799 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1CC(=O)[O-] ZINC000910862291 674648890 /nfs/dbraw/zinc/64/88/90/674648890.db2.gz CRZPFWFWZOTIMI-NXEZZACHSA-N -1 0 304.368 -0.409 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[N-]C(=O)c1ccccn1 ZINC000052602097 664819003 /nfs/dbraw/zinc/81/90/03/664819003.db2.gz AZAQEKFDXPZWQV-SNVBAGLBSA-N -1 0 312.351 -0.733 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C(C)(F)F)C[C@H]2O)c1[O-] ZINC001023411404 664824334 /nfs/dbraw/zinc/82/43/34/664824334.db2.gz AHIAYCXVKAIHQQ-RNFRBKRXSA-N -1 0 318.280 -0.620 20 0 DBADRM C/C=C(\C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001023413251 664824480 /nfs/dbraw/zinc/82/44/80/664824480.db2.gz FWXHIYKBFRVFSE-RGGXIFFLSA-N -1 0 308.338 -0.309 20 0 DBADRM CC[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001023412619 664824747 /nfs/dbraw/zinc/82/47/47/664824747.db2.gz YSCUOWHZFPAJMJ-FXBDTBDDSA-N -1 0 310.354 -0.229 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC000972590296 664837409 /nfs/dbraw/zinc/83/74/09/664837409.db2.gz VPNQINPUAVSYGQ-VIFPVBQESA-N -1 0 303.326 -0.353 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000947577488 664843294 /nfs/dbraw/zinc/84/32/94/664843294.db2.gz OBUKRZHYBDRJPL-IONNQARKSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@](O)(CNC(=O)Cn1cc(Br)cn1)C(=O)[O-] ZINC000262379462 664843342 /nfs/dbraw/zinc/84/33/42/664843342.db2.gz KFAGXTCGADLUML-VIFPVBQESA-N -1 0 306.116 -0.403 20 0 DBADRM CCC[C@@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000262383863 664845401 /nfs/dbraw/zinc/84/54/01/664845401.db2.gz PCOQMFLTBUNWLO-SECBINFHSA-N -1 0 318.355 -0.932 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000972619397 664845555 /nfs/dbraw/zinc/84/55/55/664845555.db2.gz PPSFEHVYRYHCRQ-VIFPVBQESA-N -1 0 305.342 -0.491 20 0 DBADRM Cn1ncc(C(=O)NC[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001023650586 664847663 /nfs/dbraw/zinc/84/76/63/664847663.db2.gz ZKCFZOHHJIMGJP-VIFPVBQESA-N -1 0 320.357 -0.719 20 0 DBADRM Cn1ccc(C(=O)NC[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001023748426 664854861 /nfs/dbraw/zinc/85/48/61/664854861.db2.gz VELFYGLDTNSGSR-JTQLQIEISA-N -1 0 319.369 -0.114 20 0 DBADRM Cc1nonc1C(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001023773497 664857107 /nfs/dbraw/zinc/85/71/07/664857107.db2.gz SRMOETAGULZKFF-VIFPVBQESA-N -1 0 321.341 -0.156 20 0 DBADRM O=C([O-])c1cn(CCNS(=O)(=O)CC2CCOCC2)nn1 ZINC000277455706 664863103 /nfs/dbraw/zinc/86/31/03/664863103.db2.gz RMNKXXBSQMRKKV-UHFFFAOYSA-N -1 0 318.355 -0.678 20 0 DBADRM CN(CC(N)=O)[C@@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000972720633 664866639 /nfs/dbraw/zinc/86/66/39/664866639.db2.gz MLEBDOHTEUYWEW-MRVPVSSYSA-N -1 0 319.321 -0.440 20 0 DBADRM Cc1nnsc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038044602 664871301 /nfs/dbraw/zinc/87/13/01/664871301.db2.gz LNZLMHXNPJVAJQ-ZETCQYMHSA-N -1 0 309.355 -0.325 20 0 DBADRM CCC(=O)N[C@H]1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000972866510 664879316 /nfs/dbraw/zinc/87/93/16/664879316.db2.gz ZLTLNIKXOHUVFU-KYZUINATSA-N -1 0 303.322 -0.190 20 0 DBADRM COCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001024532544 664894585 /nfs/dbraw/zinc/89/45/85/664894585.db2.gz JJBZLOMBISJUIJ-SECBINFHSA-N -1 0 311.342 -0.487 20 0 DBADRM Cc1csc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)c1 ZINC001024544553 664896039 /nfs/dbraw/zinc/89/60/39/664896039.db2.gz ASUUMQMXBVJLGS-NXEZZACHSA-N -1 0 321.362 -0.210 20 0 DBADRM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1)C1CCCC1 ZINC001024547992 664896627 /nfs/dbraw/zinc/89/66/27/664896627.db2.gz NALRXWGZXPXGQQ-ZWKOPEQDSA-N -1 0 321.381 -0.068 20 0 DBADRM O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CCCO2)C1)c1cnc[nH]c1=O ZINC000972940419 664900537 /nfs/dbraw/zinc/90/05/37/664900537.db2.gz BVYIWWZGAXVWIC-QXEWZRGKSA-N -1 0 306.322 -0.262 20 0 DBADRM O=C(NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)c1nnc[nH]1 ZINC001024717804 664911173 /nfs/dbraw/zinc/91/11/73/664911173.db2.gz IAGYEUAABDJQOJ-MRVPVSSYSA-N -1 0 306.330 -0.587 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)[N-]OC[C@H]2CCOC2)C1=O ZINC000935594271 664913698 /nfs/dbraw/zinc/91/36/98/664913698.db2.gz PCGOQXAGHDXHJD-WDEREUQCSA-N -1 0 314.338 -0.518 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cc1cc[nH]n1 ZINC000972982593 664934873 /nfs/dbraw/zinc/93/48/73/664934873.db2.gz KDKLDZWZLQBGKU-JTQLQIEISA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3C)C2)c1[O-] ZINC001025014148 664937258 /nfs/dbraw/zinc/93/72/58/664937258.db2.gz LWFMCBAMHMUNAQ-PEBGCTIMSA-N -1 0 308.338 -0.619 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)[N-]OCCSC)C1=O ZINC000935755369 664946216 /nfs/dbraw/zinc/94/62/16/664946216.db2.gz IICJVGAAZGGAMV-VIFPVBQESA-N -1 0 304.368 -0.191 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@@H](C)C(N)=O)CC2(C)C)c1[O-] ZINC000973043562 664952190 /nfs/dbraw/zinc/95/21/90/664952190.db2.gz ONCZDSGIUXHMAF-DTWKUNHWSA-N -1 0 309.370 -0.262 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CN(CC(=O)N(C)C)CC2(C)C)c1[O-] ZINC000973042489 664953229 /nfs/dbraw/zinc/95/32/29/664953229.db2.gz ILHZNDWSFAYNTG-JTQLQIEISA-N -1 0 323.397 -0.048 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCOC3)C2)c1[O-] ZINC000973080361 664964601 /nfs/dbraw/zinc/96/46/01/664964601.db2.gz QJXDNHQORPGSNA-OPRDCNLKSA-N -1 0 308.338 -0.163 20 0 DBADRM CNS(=O)(=O)N1CCN(C(=O)c2cccc(F)c2[O-])CC1 ZINC000935840307 664978054 /nfs/dbraw/zinc/97/80/54/664978054.db2.gz LGLGPLGRLVMKQN-UHFFFAOYSA-N -1 0 317.342 -0.247 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](NC(=O)C2CC=CC2)C1 ZINC000973115038 664989659 /nfs/dbraw/zinc/98/96/59/664989659.db2.gz ATORLZWUHNURQU-MGCOHNPYSA-N -1 0 321.337 -0.581 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3ncc[nH]3)C2)c1[O-] ZINC000973178601 665001070 /nfs/dbraw/zinc/00/10/70/665001070.db2.gz GTOVFZMHQMLCDI-ZKCHVHJHSA-N -1 0 304.310 -0.162 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3ccn(C)n3)C2)c1[O-] ZINC000973181246 665001302 /nfs/dbraw/zinc/00/13/02/665001302.db2.gz NZHRCKUPACWRIJ-KYZUINATSA-N -1 0 318.337 -0.152 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)c1[O-] ZINC000973183022 665001736 /nfs/dbraw/zinc/00/17/36/665001736.db2.gz GRYGKAMEWLICMH-KYZUINATSA-N -1 0 319.325 -0.908 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3ncn(C)n3)C2)c1[O-] ZINC000973182347 665001766 /nfs/dbraw/zinc/00/17/66/665001766.db2.gz ZORIQRWFZYJCHI-ZKCHVHJHSA-N -1 0 319.325 -0.757 20 0 DBADRM CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])CCO2 ZINC001007543779 665004253 /nfs/dbraw/zinc/00/42/53/665004253.db2.gz MAYYRLWLGVVANY-CQSZACIVSA-N -1 0 308.338 -0.113 20 0 DBADRM CC(C)C(=O)N1CC([C@@H](C)NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001006555240 665026068 /nfs/dbraw/zinc/02/60/68/665026068.db2.gz VVXSRTKKGRFAKV-SECBINFHSA-N -1 0 322.365 -0.281 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1C[C@H]1C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001006571822 665051206 /nfs/dbraw/zinc/05/12/06/665051206.db2.gz QPDVXZMBJOJEJZ-NQMVMOMDSA-N -1 0 323.353 -0.692 20 0 DBADRM CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000973556002 665051431 /nfs/dbraw/zinc/05/14/31/665051431.db2.gz QHTQOTREPQGWKR-PBINXNQUSA-N -1 0 323.353 -0.263 20 0 DBADRM C[C@H](NC(=O)c1cn[nH]n1)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001025464984 665053635 /nfs/dbraw/zinc/05/36/35/665053635.db2.gz MMNVDYAQWGBCMX-IUCAKERBSA-N -1 0 320.357 -0.341 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(Cc2cnnn2C)C1 ZINC000949899945 665056701 /nfs/dbraw/zinc/05/67/01/665056701.db2.gz GXZYMOFTVDRZFO-UHFFFAOYSA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1cnc(F)cc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000892745568 665061441 /nfs/dbraw/zinc/06/14/41/665061441.db2.gz ZVTJCYWYJAUDJQ-UHFFFAOYSA-N -1 0 303.315 -0.164 20 0 DBADRM CC(=O)N1CC[C@@H](N(C)C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000936300903 665065408 /nfs/dbraw/zinc/06/54/08/665065408.db2.gz SQIDNZXINOOQFC-SNVBAGLBSA-N -1 0 303.322 -0.285 20 0 DBADRM CC(=O)N1CC[C@H](N(C)C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000936300901 665065569 /nfs/dbraw/zinc/06/55/69/665065569.db2.gz SQIDNZXINOOQFC-JTQLQIEISA-N -1 0 303.322 -0.285 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(C(=O)C(F)F)C1 ZINC000936318662 665068514 /nfs/dbraw/zinc/06/85/14/665068514.db2.gz WZJSBIXMPNOLOZ-ZCFIWIBFSA-N -1 0 319.268 -0.986 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCN(C(=O)C2CC2)C1 ZINC000936318943 665068643 /nfs/dbraw/zinc/06/86/43/665068643.db2.gz ZQOOUKWMOBWRHY-QMMMGPOBSA-N -1 0 307.310 -0.634 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@]1(OC)CCSC1 ZINC000892842741 665069989 /nfs/dbraw/zinc/06/99/89/665069989.db2.gz OXMFSIXYAYTFSX-JTQLQIEISA-N -1 0 312.413 -0.552 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@]1(OC)CCSC1 ZINC000892842742 665070142 /nfs/dbraw/zinc/07/01/42/665070142.db2.gz OXMFSIXYAYTFSX-SNVBAGLBSA-N -1 0 312.413 -0.552 20 0 DBADRM C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001025758004 665083804 /nfs/dbraw/zinc/08/38/04/665083804.db2.gz NTGCAFVDNMCEMI-HKLXJQGRSA-N -1 0 321.381 -0.128 20 0 DBADRM CO[C@@H]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001025823549 665091574 /nfs/dbraw/zinc/09/15/74/665091574.db2.gz ZQCDOLLLIWAVII-HMUNZLOLSA-N -1 0 321.381 -0.128 20 0 DBADRM CCC(=O)N[C@H]1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000973759057 665094815 /nfs/dbraw/zinc/09/48/15/665094815.db2.gz FJILVILTJQEKQS-DTORHVGOSA-N -1 0 318.337 -0.755 20 0 DBADRM O=C(N[C@H]1C[C@@H](NC(=O)C2CC2)C1)c1c[n-]n2c1nccc2=O ZINC000973781637 665107093 /nfs/dbraw/zinc/10/70/93/665107093.db2.gz OOQQISRJGDVHJL-AOOOYVTPSA-N -1 0 315.333 -0.190 20 0 DBADRM CCc1c[nH]c(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001020254192 665108838 /nfs/dbraw/zinc/10/88/38/665108838.db2.gz YRKIDBUKQCVAAN-MGCOHNPYSA-N -1 0 319.369 -0.225 20 0 DBADRM Cc1cccc(-n2cc(C(=O)[N-]N3CC(=O)NC3=O)nn2)c1 ZINC000725878707 665111812 /nfs/dbraw/zinc/11/18/12/665111812.db2.gz JNXSUPZGGOTCTG-UHFFFAOYSA-N -1 0 300.278 -0.228 20 0 DBADRM CC(C)(F)C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973789237 665111975 /nfs/dbraw/zinc/11/19/75/665111975.db2.gz RMKTVGRKMJXYDL-KNVOCYPGSA-N -1 0 315.305 -0.799 20 0 DBADRM C[C@H]1COCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001026020948 665119811 /nfs/dbraw/zinc/11/98/11/665119811.db2.gz AWEKIEIOPJHYDU-HKLXJQGRSA-N -1 0 321.381 -0.271 20 0 DBADRM C[C@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001026123365 665125574 /nfs/dbraw/zinc/12/55/74/665125574.db2.gz HWGUMLNUABDRRI-OMHSBUABSA-N -1 0 307.354 -0.518 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@H]1C[C@@]12CCOC2 ZINC001026136497 665126552 /nfs/dbraw/zinc/12/65/52/665126552.db2.gz CWWNLCKDXGPZAO-FJSXFWSSSA-N -1 0 319.365 -0.517 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000973843703 665132573 /nfs/dbraw/zinc/13/25/73/665132573.db2.gz ITAFGLYZYGSZHQ-DOLQZWNJSA-N -1 0 320.349 -0.481 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCO3)C2)c1[O-] ZINC000973842737 665132668 /nfs/dbraw/zinc/13/26/68/665132668.db2.gz VIMQQXMHRSSNKI-AEJSXWLSSA-N -1 0 308.338 -0.020 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC000973879209 665137894 /nfs/dbraw/zinc/13/78/94/665137894.db2.gz ZJIGFOABIZTZRA-OCAPTIKFSA-N -1 0 320.309 -0.905 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cccn3)C2)c1[O-] ZINC000973880832 665138073 /nfs/dbraw/zinc/13/80/73/665138073.db2.gz ZSNAKEDILVKTRC-AOOOYVTPSA-N -1 0 318.337 -0.303 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3COCCO3)C2)c1[O-] ZINC000973896408 665139305 /nfs/dbraw/zinc/13/93/05/665139305.db2.gz CVWWMHLVEQWBCZ-KXUCPTDWSA-N -1 0 324.337 -0.784 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCOC3)C2)c1[O-] ZINC000973929110 665144575 /nfs/dbraw/zinc/14/45/75/665144575.db2.gz QJXDNHQORPGSNA-BBBLOLIVSA-N -1 0 308.338 -0.163 20 0 DBADRM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000973991582 665153857 /nfs/dbraw/zinc/15/38/57/665153857.db2.gz GSVOPECFEXQCFQ-CNUIFLNQSA-N -1 0 321.337 -0.294 20 0 DBADRM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000973999665 665154632 /nfs/dbraw/zinc/15/46/32/665154632.db2.gz ONETVVLTKIKHLJ-QNSHHTMESA-N -1 0 323.353 -0.501 20 0 DBADRM O=C(C=C1CCC1)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000974014783 665156041 /nfs/dbraw/zinc/15/60/41/665156041.db2.gz MKQHKJFUFQFESR-AOOOYVTPSA-N -1 0 321.337 -0.437 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](NC(=O)C2=CCCC2)C1 ZINC000974022242 665156886 /nfs/dbraw/zinc/15/68/86/665156886.db2.gz FWGRCYJVKNFLRW-AOOOYVTPSA-N -1 0 321.337 -0.437 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cncn3C)C2)c1[O-] ZINC000974033358 665158424 /nfs/dbraw/zinc/15/84/24/665158424.db2.gz SUQWINXWXRGKDF-DTORHVGOSA-N -1 0 318.337 -0.152 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c1[O-] ZINC000974032347 665158619 /nfs/dbraw/zinc/15/86/19/665158619.db2.gz HXEGPLJWPCYMDL-YIZRAAEISA-N -1 0 321.337 -0.921 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NCCC(C)(C)C(=O)[O-] ZINC000312230474 665167473 /nfs/dbraw/zinc/16/74/73/665167473.db2.gz HMMHYSLJESNJRX-UHFFFAOYSA-N -1 0 309.388 -0.274 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)C2=COCCO2)s1 ZINC000057268514 665183972 /nfs/dbraw/zinc/18/39/72/665183972.db2.gz IYOVBDIXVHCLKW-UHFFFAOYSA-N -1 0 306.325 -0.264 20 0 DBADRM CC1(C(=O)N[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CCC1 ZINC000974335371 665193775 /nfs/dbraw/zinc/19/37/75/665193775.db2.gz CJGRDNYCOGRYND-OCAPTIKFSA-N -1 0 321.337 -0.150 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H](CNC(=O)C2CC2)C1 ZINC000974417018 665217729 /nfs/dbraw/zinc/21/77/29/665217729.db2.gz HEYRYUJJPXEZOA-SECBINFHSA-N -1 0 323.353 -0.546 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@]1(CO)CCOC1 ZINC000194484644 665221690 /nfs/dbraw/zinc/22/16/90/665221690.db2.gz DBNHXELZSLGGQO-KWQFWETISA-N -1 0 312.288 -0.043 20 0 DBADRM CCCC(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000974697171 665240422 /nfs/dbraw/zinc/24/04/22/665240422.db2.gz HHNJAZHDFVUGCZ-NXEZZACHSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)CC1=O ZINC000866894069 665254279 /nfs/dbraw/zinc/25/42/79/665254279.db2.gz VZWGTLDCLREMRC-HLTSFMKQSA-N -1 0 309.413 -0.442 20 0 DBADRM O=C(N1CC[C@@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1)[C@@]1(F)CCOC1 ZINC001027019595 665255975 /nfs/dbraw/zinc/25/59/75/665255975.db2.gz HPMWQVOGRBWJGM-TVQRCGJNSA-N -1 0 313.333 -0.423 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000974969900 665261729 /nfs/dbraw/zinc/26/17/29/665261729.db2.gz GSGIQEDCTUSJEY-MIZYBKAJSA-N -1 0 321.381 -0.271 20 0 DBADRM O=C(CCc1cn[nH]c1)N1CC[C@@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001027111440 665271710 /nfs/dbraw/zinc/27/17/10/665271710.db2.gz FIDJYQPLRUNCSO-NSHDSACASA-N -1 0 319.369 -0.196 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000975416230 665280039 /nfs/dbraw/zinc/28/00/39/665280039.db2.gz JHBIAZZVNCZIDE-VIFPVBQESA-N -1 0 323.353 -0.093 20 0 DBADRM CCOC(=O)CCN(C)S(=O)(=O)[N-]C(=O)CCSC ZINC000893422056 665313959 /nfs/dbraw/zinc/31/39/59/665313959.db2.gz LWMLCPKQGGQHJX-UHFFFAOYSA-N -1 0 312.413 -0.015 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC1 ZINC000976033420 665319776 /nfs/dbraw/zinc/31/97/76/665319776.db2.gz DQCXVDCYYLDDOQ-JZYVYDRUSA-N -1 0 321.337 -0.938 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001006697209 665321152 /nfs/dbraw/zinc/32/11/52/665321152.db2.gz GPRDYGFFZGTQPK-SNVBAGLBSA-N -1 0 305.342 -0.362 20 0 DBADRM CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000976101121 665323645 /nfs/dbraw/zinc/32/36/45/665323645.db2.gz WKTKXMSBEIRCCT-HTQZYQBOSA-N -1 0 309.326 -0.150 20 0 DBADRM CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000976108913 665324934 /nfs/dbraw/zinc/32/49/34/665324934.db2.gz FMNAWZMNODEEEI-GHMZBOCLSA-N -1 0 308.338 -0.337 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCO2)c1[O-] ZINC000976124415 665327148 /nfs/dbraw/zinc/32/71/48/665327148.db2.gz HJSWFFDYDHYHFG-ZRUFSTJUSA-N -1 0 320.349 -0.211 20 0 DBADRM CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC000976178073 665331260 /nfs/dbraw/zinc/33/12/60/665331260.db2.gz HQXMKZQGMUZKGR-URLYPYJESA-N -1 0 320.349 -0.672 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC001027368656 665363053 /nfs/dbraw/zinc/36/30/53/665363053.db2.gz OVIIMEORCGPNPH-SNVBAGLBSA-N -1 0 319.369 -0.020 20 0 DBADRM C[C@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000976809776 665395226 /nfs/dbraw/zinc/39/52/26/665395226.db2.gz HOLHNEUZPKHJSU-ULHKAFAUSA-N -1 0 305.338 -0.584 20 0 DBADRM C[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000976809774 665395326 /nfs/dbraw/zinc/39/53/26/665395326.db2.gz HOLHNEUZPKHJSU-OFKSJOQMSA-N -1 0 305.338 -0.584 20 0 DBADRM C/C=C(/C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000976890375 665403425 /nfs/dbraw/zinc/40/34/25/665403425.db2.gz DXJJPPKEQZYOBC-QKSCPJOMSA-N -1 0 319.321 -0.564 20 0 DBADRM C[C@@H]1CO[C@H](C(=O)N(CCN2CCOCC2)CC(=O)[O-])C1 ZINC000911366024 674714159 /nfs/dbraw/zinc/71/41/59/674714159.db2.gz REGFSZZMKVAWBS-RYUDHWBXSA-N -1 0 300.355 -0.343 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC[C@H](OCCO)C2)CCOCC1 ZINC000911362803 674709944 /nfs/dbraw/zinc/70/99/44/674709944.db2.gz OYLXHOGHEPAMPN-NSHDSACASA-N -1 0 301.339 -0.132 20 0 DBADRM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000911364220 674710150 /nfs/dbraw/zinc/71/01/50/674710150.db2.gz IMSHFPZOOWYMCK-KWCYVHTRSA-N -1 0 314.382 -0.097 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@]1(C(F)(F)F)CCCN1 ZINC000911453522 674727775 /nfs/dbraw/zinc/72/77/75/674727775.db2.gz CZIADOAHWWZTBN-SNVBAGLBSA-N -1 0 313.276 -0.519 20 0 DBADRM COc1cc(N2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)ncn1 ZINC000911585274 674741289 /nfs/dbraw/zinc/74/12/89/674741289.db2.gz HVGSYDRLGUHYMX-UHFFFAOYSA-N -1 0 306.322 -0.001 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC000911593713 674742077 /nfs/dbraw/zinc/74/20/77/674742077.db2.gz FWTUUWYZXKEBQV-UHFFFAOYSA-N -1 0 318.337 -0.336 20 0 DBADRM CCCC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC000991388546 674773913 /nfs/dbraw/zinc/77/39/13/674773913.db2.gz LBXVQBORDBIQFN-VHSXEESVSA-N -1 0 310.354 -0.085 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NCC[C@@H](C)CC(=O)[O-] ZINC000912557571 674777170 /nfs/dbraw/zinc/77/71/70/674777170.db2.gz DINSOPVCVGGARC-SSDOTTSWSA-N -1 0 319.339 -0.025 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ncc(OC)cn1 ZINC000912559992 674777207 /nfs/dbraw/zinc/77/72/07/674777207.db2.gz FSXJEMVXPGXXGW-UHFFFAOYSA-N -1 0 313.295 -0.204 20 0 DBADRM CC[C@](C)(CNS(=O)(=O)c1n[nH]cc1C(=O)OC)C(=O)[O-] ZINC000912558960 674777612 /nfs/dbraw/zinc/77/76/12/674777612.db2.gz UEVKPNOXJYBPEZ-LLVKDONJSA-N -1 0 319.339 -0.025 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C3CCC3)C[C@H]2O)c1[O-] ZINC000991396643 674783665 /nfs/dbraw/zinc/78/36/65/674783665.db2.gz WOMWTKBCJKUVKY-GHMZBOCLSA-N -1 0 322.365 -0.085 20 0 DBADRM O=C(NC[C@]1(CO)COCCN1)c1cc(F)c([O-])c(F)c1 ZINC000913183579 674792948 /nfs/dbraw/zinc/79/29/48/674792948.db2.gz RZALEKCFJZUXHY-ZDUSSCGKSA-N -1 0 302.277 -0.249 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000803002457 674798290 /nfs/dbraw/zinc/79/82/90/674798290.db2.gz YGGSIIFBZXUIPV-ZJUUUORDSA-N -1 0 306.384 -0.226 20 0 DBADRM O=C([C@@H]1CSCCS1)N1CCOC[C@H]1c1nnn[n-]1 ZINC000913495586 674801321 /nfs/dbraw/zinc/80/13/21/674801321.db2.gz LNDZNLQLKOQVDA-YUMQZZPRSA-N -1 0 301.397 -0.052 20 0 DBADRM CNC(=O)N[N-]C(=O)c1cc(S(=O)(=O)N(C)C)ccc1F ZINC000056375062 674813455 /nfs/dbraw/zinc/81/34/55/674813455.db2.gz TVYKYOFUILHSQF-UHFFFAOYSA-N -1 0 318.330 -0.350 20 0 DBADRM Cn1nnnc1SCCC(=O)N[N-]C(=O)c1ccccn1 ZINC000056056889 674809728 /nfs/dbraw/zinc/80/97/28/674809728.db2.gz HUWNHWFJROLEAC-UHFFFAOYSA-N -1 0 307.339 -0.452 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC000991562692 674817621 /nfs/dbraw/zinc/81/76/21/674817621.db2.gz ZYOYHMQLYVSBPY-ZVRIXJHSSA-N -1 0 320.349 -0.160 20 0 DBADRM Cc1cc(C)c(C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)o1 ZINC001030195323 674842968 /nfs/dbraw/zinc/84/29/68/674842968.db2.gz AOPKVYXCWAAVIJ-UHFFFAOYSA-N -1 0 305.338 -0.068 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)C2CC=CC2)C[C@@H]1O)c1cn[nH]n1 ZINC000991604848 674843119 /nfs/dbraw/zinc/84/31/19/674843119.db2.gz UHMGBPNXZYBVKJ-JQWIXIFHSA-N -1 0 305.338 -0.538 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001011878149 674843668 /nfs/dbraw/zinc/84/36/68/674843668.db2.gz ZDBDQWQJSYZRGU-IONNQARKSA-N -1 0 309.326 -0.659 20 0 DBADRM CCn1cc(CN2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)nn1 ZINC001030222197 674846730 /nfs/dbraw/zinc/84/67/30/674846730.db2.gz JWFRNBGIHYEKEQ-UHFFFAOYSA-N -1 0 305.342 -0.351 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@H](O)C1 ZINC000991612582 674846801 /nfs/dbraw/zinc/84/68/01/674846801.db2.gz LKJIFJNIWBTSLH-PSASIEDQSA-N -1 0 320.305 -0.360 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(Cc3nnnn3C(C)C)C2)c1[O-] ZINC001030224388 674847099 /nfs/dbraw/zinc/84/70/99/674847099.db2.gz KJFBNRVXCOWVFY-UHFFFAOYSA-N -1 0 320.357 -0.395 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C[C@H]3CCNC(=O)CC3)C2)c1[O-] ZINC001030223136 674847199 /nfs/dbraw/zinc/84/71/99/674847199.db2.gz YGUFTARSZVNZCN-SNVBAGLBSA-N -1 0 321.381 -0.246 20 0 DBADRM O=C(NC1CN(Cc2ncnn2CCF)C1)c1ncccc1O ZINC001030243894 674851413 /nfs/dbraw/zinc/85/14/13/674851413.db2.gz XAMVCCKEZOHCGN-UHFFFAOYSA-N -1 0 320.328 -0.038 20 0 DBADRM CC(C)[C@@H]1CCO[C@@H]1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030325871 674865229 /nfs/dbraw/zinc/86/52/29/674865229.db2.gz UIHPLDSJGVRWBC-JQWIXIFHSA-N -1 0 309.370 -0.128 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1c(F)cncc1F ZINC001030377028 674873404 /nfs/dbraw/zinc/87/34/04/674873404.db2.gz LMCACVSCTWUCJM-UHFFFAOYSA-N -1 0 310.264 -0.202 20 0 DBADRM CC(C)Cn1ccc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001030382557 674874473 /nfs/dbraw/zinc/87/44/73/674874473.db2.gz JTBVVOQRZLMYHC-UHFFFAOYSA-N -1 0 319.369 -0.023 20 0 DBADRM Cc1c(CC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001030420395 674886270 /nfs/dbraw/zinc/88/62/70/674886270.db2.gz OGHNEHKUYOWRCA-UHFFFAOYSA-N -1 0 305.342 -0.905 20 0 DBADRM O=C(Cc1cc(C2CC2)no1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030431348 674888349 /nfs/dbraw/zinc/88/83/49/674888349.db2.gz QTANGOROAZDVMB-UHFFFAOYSA-N -1 0 318.337 -0.081 20 0 DBADRM CCC(=O)N(C)C1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000953676359 674890374 /nfs/dbraw/zinc/89/03/74/674890374.db2.gz BQZZPQXCBOFASA-UHFFFAOYSA-N -1 0 311.342 -0.451 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCn2cncc2C1 ZINC001030544620 674902528 /nfs/dbraw/zinc/90/25/28/674902528.db2.gz RMLYPWSRRKVEOY-VIFPVBQESA-N -1 0 317.353 -0.730 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCn2cncc2C1 ZINC001030544619 674902711 /nfs/dbraw/zinc/90/27/11/674902711.db2.gz RMLYPWSRRKVEOY-SECBINFHSA-N -1 0 317.353 -0.730 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCn2nccc21 ZINC001030547735 674902788 /nfs/dbraw/zinc/90/27/88/674902788.db2.gz JFAOEMKMOVOLHJ-JTQLQIEISA-N -1 0 317.353 -0.415 20 0 DBADRM C[S@](=O)CCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000229193072 674907511 /nfs/dbraw/zinc/90/75/11/674907511.db2.gz GRIZOPYLPLSXDH-SFHVURJKSA-N -1 0 309.369 -0.985 20 0 DBADRM O=C(NC1CN(Cc2cn(-c3ccccc3)nn2)C1)c1cn[nH]n1 ZINC001030601731 674910909 /nfs/dbraw/zinc/91/09/09/674910909.db2.gz YJDLIOGNHLNOKR-UHFFFAOYSA-N -1 0 324.348 0.000 20 0 DBADRM Cc1ccncc1CN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030616874 674913171 /nfs/dbraw/zinc/91/31/71/674913171.db2.gz MXJNXPSEQAKXKP-UHFFFAOYSA-N -1 0 316.321 -0.400 20 0 DBADRM O=C(NC1CN(Cc2cccnc2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030617086 674913253 /nfs/dbraw/zinc/91/32/53/674913253.db2.gz WKJJLCQJPJBIBA-UHFFFAOYSA-N -1 0 302.294 -0.708 20 0 DBADRM C[C@H](c1ncccn1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030616989 674913284 /nfs/dbraw/zinc/91/32/84/674913284.db2.gz RKQRACUHSIQPQT-SSDOTTSWSA-N -1 0 317.309 -0.752 20 0 DBADRM CO[C@H](CN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCC1 ZINC001030617204 674913288 /nfs/dbraw/zinc/91/32/88/674913288.db2.gz ZGTPSIZDSNCBCO-SNVBAGLBSA-N -1 0 323.353 -0.488 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)Cn2cncn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000948013421 674915108 /nfs/dbraw/zinc/91/51/08/674915108.db2.gz WFHZCIZVTJHFLZ-UWVGGRQHSA-N -1 0 320.357 -0.729 20 0 DBADRM C[C@H]1C[C@H](NC(=O)Cn2cncn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000948013422 674915193 /nfs/dbraw/zinc/91/51/93/674915193.db2.gz WFHZCIZVTJHFLZ-VHSXEESVSA-N -1 0 320.357 -0.729 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2cnsn2)c1[O-] ZINC000948908093 674924339 /nfs/dbraw/zinc/92/43/39/674924339.db2.gz KJRULHOYQKHFAA-ZETCQYMHSA-N -1 0 322.350 -0.080 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)[C@@H]1C[C@H]1C1CC1 ZINC000991996924 674931095 /nfs/dbraw/zinc/93/10/95/674931095.db2.gz VCPBTWUOWJCLRD-DTWKUNHWSA-N -1 0 319.321 -0.731 20 0 DBADRM CCN(CC(=O)NC)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000035247014 674931751 /nfs/dbraw/zinc/93/17/51/674931751.db2.gz QDYGKJDUAFLRQX-UHFFFAOYSA-N -1 0 303.340 -0.520 20 0 DBADRM CC[C@@H]1C[C@@H](C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)CC(=O)N1 ZINC001030725519 674932642 /nfs/dbraw/zinc/93/26/42/674932642.db2.gz STZSFKQQDHYMHO-RKDXNWHRSA-N -1 0 322.369 -0.885 20 0 DBADRM O=C(NC1CC(CNC(=O)[C@H]2CCCCO2)C1)c1cn[nH]n1 ZINC000992033589 674933723 /nfs/dbraw/zinc/93/37/23/674933723.db2.gz WAOSDSSGDFPRHH-RTYFJBAXSA-N -1 0 307.354 -0.002 20 0 DBADRM O=C(NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1)c1cnco1 ZINC001030760145 674940577 /nfs/dbraw/zinc/94/05/77/674940577.db2.gz PDKVRAQOXCHRNL-UHFFFAOYSA-N -1 0 314.305 -0.375 20 0 DBADRM CC[C@H](CN1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1)OC ZINC001030779872 674951427 /nfs/dbraw/zinc/95/14/27/674951427.db2.gz LIPYABBIYXQVSF-SNVBAGLBSA-N -1 0 310.354 -0.675 20 0 DBADRM C[C@@H]1CC[C@H](CN2CC(NC(=O)c3cnc([O-])n(C)c3=O)C2)O1 ZINC001030780468 674951502 /nfs/dbraw/zinc/95/15/02/674951502.db2.gz YVBVLZPNOPDLSU-MWLCHTKSSA-N -1 0 322.365 -0.533 20 0 DBADRM O=C(N[C@@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)c1nnc[nH]1 ZINC000992326182 674991990 /nfs/dbraw/zinc/99/19/90/674991990.db2.gz DXMNWBRVAHMILB-AMIZOPFISA-N -1 0 318.341 -0.445 20 0 DBADRM CCC(=O)N1CCC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000954107476 674993104 /nfs/dbraw/zinc/99/31/04/674993104.db2.gz MVUNHKRMAZDEFN-UHFFFAOYSA-N -1 0 309.326 -0.244 20 0 DBADRM O=C(/C=C/CN1CCOCC1)N1CCC(c2nnn[n-]2)CC1 ZINC000913745185 675002105 /nfs/dbraw/zinc/00/21/05/675002105.db2.gz SIINVYBNQYBVPV-OWOJBTEDSA-N -1 0 306.370 -0.206 20 0 DBADRM O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC(c2nnn[n-]2)CC1 ZINC000913742377 675001657 /nfs/dbraw/zinc/00/16/57/675001657.db2.gz BFHWPPGRVYOPIA-JTQLQIEISA-N -1 0 304.354 -0.083 20 0 DBADRM O=C(N1CCC(c2nnn[n-]2)CC1)[C@@]12CCC(=O)N1CCS2 ZINC000913742434 675001676 /nfs/dbraw/zinc/00/16/76/675001676.db2.gz CELIACTYESYAMI-ZDUSSCGKSA-N -1 0 322.394 -0.029 20 0 DBADRM COCC(=O)N1C[C@H]2CN(C(=O)c3cnc[nH]c3=O)C[C@@]2(C)C1 ZINC000992505895 675008369 /nfs/dbraw/zinc/00/83/69/675008369.db2.gz MRQDLAZIVGCTMF-ZUZCIYMTSA-N -1 0 320.349 -0.251 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1ccc(C(=O)N(C)C)cc1 ZINC000913989896 675014828 /nfs/dbraw/zinc/01/48/28/675014828.db2.gz TUBBDWQLVKHKDW-UHFFFAOYSA-N -1 0 308.338 -0.135 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000914158060 675023806 /nfs/dbraw/zinc/02/38/06/675023806.db2.gz IHUPFFBJBJBGGO-MRVPVSSYSA-N -1 0 312.292 -0.153 20 0 DBADRM CCn1nc(C)cc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030998986 675022236 /nfs/dbraw/zinc/02/22/36/675022236.db2.gz MXBLCIPRZIAQME-UHFFFAOYSA-N -1 0 305.342 -0.351 20 0 DBADRM O=S(=O)(N[C@H](CO)c1ccc(F)cc1)[C@@H]1COC[C@H]1O ZINC000914163798 675024337 /nfs/dbraw/zinc/02/43/37/675024337.db2.gz ZUFLOHLYANRPOJ-IJLUTSLNSA-N -1 0 305.327 -0.462 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000914417346 675034011 /nfs/dbraw/zinc/03/40/11/675034011.db2.gz LQZLHSLJSHKYHK-SNVBAGLBSA-N -1 0 306.322 -0.231 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1coc(C2CC2)n1 ZINC001031060223 675035557 /nfs/dbraw/zinc/03/55/57/675035557.db2.gz GORGREFNYYBNAC-UHFFFAOYSA-N -1 0 304.310 -0.010 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc2cccnn21 ZINC001031064897 675035818 /nfs/dbraw/zinc/03/58/18/675035818.db2.gz KZUNCZWLKUZQTM-UHFFFAOYSA-N -1 0 314.309 -0.833 20 0 DBADRM COC(=O)[C@H]1CCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730535826 675038668 /nfs/dbraw/zinc/03/86/68/675038668.db2.gz QVUCTTGTLQWEBG-SNVBAGLBSA-N -1 0 319.321 -0.375 20 0 DBADRM CCCCN1CC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001031116140 675041469 /nfs/dbraw/zinc/04/14/69/675041469.db2.gz CHSMMTQUNJABKH-UHFFFAOYSA-N -1 0 304.354 -0.328 20 0 DBADRM CC(C)CNC(=O)[C@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730659346 675045721 /nfs/dbraw/zinc/04/57/21/675045721.db2.gz OBJVHFGHYXHIMV-VIFPVBQESA-N -1 0 321.337 -0.225 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc2ncccn2n1 ZINC001031129532 675045773 /nfs/dbraw/zinc/04/57/73/675045773.db2.gz RHICCRDZCPDZDI-UHFFFAOYSA-N -1 0 314.309 -0.833 20 0 DBADRM C[C@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)NC(C)(C)C ZINC000730659095 675045792 /nfs/dbraw/zinc/04/57/92/675045792.db2.gz YGNVNQMXLWPLKD-QMMMGPOBSA-N -1 0 321.337 -0.082 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)O[C@H]2CC(=O)N(C)C2)co1 ZINC000764736851 677345520 /nfs/dbraw/zinc/34/55/20/677345520.db2.gz SIJAOWHTLSFZEZ-QMMMGPOBSA-N -1 0 302.308 -0.425 20 0 DBADRM CC(C)CC(=O)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982382632 670535252 /nfs/dbraw/zinc/53/52/52/670535252.db2.gz HWSWAQKEJWXEGE-VIFPVBQESA-N -1 0 323.353 -0.093 20 0 DBADRM CN(C)c1ncccc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737961169 670537111 /nfs/dbraw/zinc/53/71/11/670537111.db2.gz DQRSDLOGPQMYQZ-UHFFFAOYSA-N -1 0 306.322 -0.483 20 0 DBADRM CC[C@@H](C)C(=O)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982464617 670595662 /nfs/dbraw/zinc/59/56/62/670595662.db2.gz DQCUAIPKAXPDDH-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM Cn1ccc(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001028313715 670663547 /nfs/dbraw/zinc/66/35/47/670663547.db2.gz KTFUEFDDPFNCAY-VIFPVBQESA-N -1 0 305.342 -0.362 20 0 DBADRM Cc1nc[nH]c1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001028352735 670706971 /nfs/dbraw/zinc/70/69/71/670706971.db2.gz KUUMRATVBWFMLH-SECBINFHSA-N -1 0 305.342 -0.064 20 0 DBADRM CNC(=O)CN1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H]1C ZINC000993214973 677350234 /nfs/dbraw/zinc/35/02/34/677350234.db2.gz FFJFWTWDXKQIPC-VHSXEESVSA-N -1 0 309.370 -0.248 20 0 DBADRM Cc1ncc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001028448771 670780847 /nfs/dbraw/zinc/78/08/47/670780847.db2.gz MNWMZEGNTRMSLC-SECBINFHSA-N -1 0 305.342 -0.206 20 0 DBADRM CCn1cc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001028454398 670786222 /nfs/dbraw/zinc/78/62/22/670786222.db2.gz VFOLVOKPMYMQHW-SNVBAGLBSA-N -1 0 319.369 -0.021 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc[nH]c(=O)c1 ZINC001028483785 670806199 /nfs/dbraw/zinc/80/61/99/670806199.db2.gz ZNPCCYLSTUFNOH-VIFPVBQESA-N -1 0 318.337 -0.137 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc[nH]c(=O)c1 ZINC001028483784 670806753 /nfs/dbraw/zinc/80/67/53/670806753.db2.gz ZNPCCYLSTUFNOH-SECBINFHSA-N -1 0 318.337 -0.137 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN(Cc3nncn3C)C2)c1[O-] ZINC001028484914 670807397 /nfs/dbraw/zinc/80/73/97/670807397.db2.gz FLWNMIPHMJGOSZ-SNVBAGLBSA-N -1 0 319.369 -0.196 20 0 DBADRM Cn1oc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cc1=O ZINC001028508452 670822236 /nfs/dbraw/zinc/82/22/36/670822236.db2.gz RJYNGCMWCLCEEG-QMMMGPOBSA-N -1 0 322.325 -0.946 20 0 DBADRM Cc1ccnc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001028510374 670824114 /nfs/dbraw/zinc/82/41/14/670824114.db2.gz ZMXTUSQRHBHJHI-JTQLQIEISA-N -1 0 317.353 -0.139 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCCN2C(=O)CC(N)=O)c1[O-] ZINC000937298983 670856425 /nfs/dbraw/zinc/85/64/25/670856425.db2.gz BSJCSQKQIWAUES-VIFPVBQESA-N -1 0 323.353 -0.590 20 0 DBADRM C[C@H]1OCC[C@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000982826231 670883252 /nfs/dbraw/zinc/88/32/52/670883252.db2.gz MPINCDSDJPDFQW-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc[nH]c1=O ZINC001028621603 670889119 /nfs/dbraw/zinc/88/91/19/670889119.db2.gz ZLQXCLUXYDSZIV-MRVPVSSYSA-N -1 0 319.325 -0.742 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)C1 ZINC000927962523 670911884 /nfs/dbraw/zinc/91/18/84/670911884.db2.gz DPWRKICQENWGGS-QCNOEVLYSA-N -1 0 308.334 -0.373 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[C@@H](C)N(C(C)=O)C1 ZINC001012112888 670924249 /nfs/dbraw/zinc/92/42/49/670924249.db2.gz KJSQLUBGGVVUKH-HTRCEHHLSA-N -1 0 310.310 -0.365 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983033261 670928724 /nfs/dbraw/zinc/92/87/24/670928724.db2.gz AULAHXFIFICCMH-HRDYMLBCSA-N -1 0 321.337 -0.483 20 0 DBADRM O=C(Cc1ccon1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001006960420 670948334 /nfs/dbraw/zinc/94/83/34/670948334.db2.gz WMVYOTQPVLRMNO-SNVBAGLBSA-N -1 0 306.326 -0.178 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3nc[nH]n3)C2)c1[O-] ZINC000983116011 670955495 /nfs/dbraw/zinc/95/54/95/670955495.db2.gz SHMJQJLIQFYMPA-MRVPVSSYSA-N -1 0 319.325 -0.566 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1csnn1 ZINC001028719718 670989043 /nfs/dbraw/zinc/98/90/43/670989043.db2.gz IZSMCOFNWQZGPK-ZETCQYMHSA-N -1 0 309.355 -0.386 20 0 DBADRM Cc1n[nH]cc1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028725200 671001542 /nfs/dbraw/zinc/00/15/42/671001542.db2.gz CLXIHBVMMVGYSY-SECBINFHSA-N -1 0 305.342 -0.206 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C1CC1 ZINC001012134077 671040899 /nfs/dbraw/zinc/04/08/99/671040899.db2.gz LDEUCVNDZXJSAD-SVRRBLITSA-N -1 0 307.310 -0.588 20 0 DBADRM Cc1nccc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001028992044 671144947 /nfs/dbraw/zinc/14/49/47/671144947.db2.gz AWLVHGWCVJVPRK-JTQLQIEISA-N -1 0 317.353 -0.139 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nc(=O)n(C)[nH]1 ZINC001029198724 671272412 /nfs/dbraw/zinc/27/24/12/671272412.db2.gz VTGBQHGQMWYGJG-WISYIIOYSA-N -1 0 305.382 -0.060 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@@H](O)C1CCC1 ZINC000909425544 671281896 /nfs/dbraw/zinc/28/18/96/671281896.db2.gz BOMNQXGSEWGJIK-AAEUAGOBSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)[C@H](O)C1CCC1 ZINC000909425556 671282588 /nfs/dbraw/zinc/28/25/88/671282588.db2.gz BOMNQXGSEWGJIK-DGCLKSJQSA-N -1 0 312.366 -0.071 20 0 DBADRM O=C([C@H]1CCOC1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029236423 671283458 /nfs/dbraw/zinc/28/34/58/671283458.db2.gz PZDUULXVQUMVJE-GARJFASQSA-N -1 0 307.354 -0.278 20 0 DBADRM Cc1ccnn1CC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000909428886 671286115 /nfs/dbraw/zinc/28/61/15/671286115.db2.gz WXBSAZHCFZVUGM-LBPRGKRZSA-N -1 0 322.365 -0.027 20 0 DBADRM Cn1cnc(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2n[nH]c(=O)[n-]2)n1 ZINC001029295801 671306332 /nfs/dbraw/zinc/30/63/32/671306332.db2.gz CDSTXYZIHWNWEC-DTORHVGOSA-N -1 0 318.341 -0.872 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CCn3ccccc3=O)C2)nn1 ZINC000320770404 671315810 /nfs/dbraw/zinc/31/58/10/671315810.db2.gz KWKQJINDCVNOLA-UHFFFAOYSA-N -1 0 317.305 -0.388 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2cnn(C)n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947805153 671331554 /nfs/dbraw/zinc/33/15/54/671331554.db2.gz DGFHCRLTHVHYQS-BDAKNGLRSA-N -1 0 320.357 -0.578 20 0 DBADRM CO[C@]1(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CCSC1 ZINC000909504507 671336257 /nfs/dbraw/zinc/33/62/57/671336257.db2.gz HOIHUDCKLUPXSZ-GFCCVEGCSA-N -1 0 312.351 -0.118 20 0 DBADRM O=C(c1csnn1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029412674 671338715 /nfs/dbraw/zinc/33/87/15/671338715.db2.gz UXALRDAYOJLZRZ-OCAPTIKFSA-N -1 0 321.366 -0.149 20 0 DBADRM O=C(/C=C\CN1CCOCC1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000866902201 671339124 /nfs/dbraw/zinc/33/91/24/671339124.db2.gz ZPOXTSORCBCYPV-QQHVMHFCSA-N -1 0 306.370 -0.206 20 0 DBADRM CN(CC(=O)NC1(C(=O)[O-])CCSCC1)S(C)(=O)=O ZINC000262204154 671343618 /nfs/dbraw/zinc/34/36/18/671343618.db2.gz REWIHNPOWGLZGZ-UHFFFAOYSA-N -1 0 310.397 -0.656 20 0 DBADRM CCC(=O)N(C)[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000984454255 671351453 /nfs/dbraw/zinc/35/14/53/671351453.db2.gz RWDZNCGMESQGRG-SECBINFHSA-N -1 0 311.342 -0.451 20 0 DBADRM CC(=O)N(C)[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000984451333 671351705 /nfs/dbraw/zinc/35/17/05/671351705.db2.gz FZQGBMUSOQGQPY-SNVBAGLBSA-N -1 0 308.338 -0.431 20 0 DBADRM CS(=O)(=O)NCCNC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262229148 671353176 /nfs/dbraw/zinc/35/31/76/671353176.db2.gz SCELEXKIUBCHMO-UHFFFAOYSA-N -1 0 300.336 -0.407 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@@H](CCOC)C(=O)[O-] ZINC000262282901 671415646 /nfs/dbraw/zinc/41/56/46/671415646.db2.gz JLOXTJADRNODFM-VIFPVBQESA-N -1 0 310.372 -0.736 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCOC2)cc1C(N)=O ZINC000727951580 671431510 /nfs/dbraw/zinc/43/15/10/671431510.db2.gz LIHBUQARRPRKAF-MRVPVSSYSA-N -1 0 315.351 -0.645 20 0 DBADRM Cn1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2n[nH]c(=O)[n-]2)n1 ZINC001029513512 671441501 /nfs/dbraw/zinc/44/15/01/671441501.db2.gz DSTBFETYYGOGHX-DTORHVGOSA-N -1 0 318.341 -0.872 20 0 DBADRM C[C@@](O)(CNC(=O)CCOc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000262375144 671445252 /nfs/dbraw/zinc/44/52/52/671445252.db2.gz JGXZGHSTZNEGBJ-CQSZACIVSA-N -1 0 310.306 -0.494 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC000262380212 671445999 /nfs/dbraw/zinc/44/59/99/671445999.db2.gz IHXYUJZILLGGDS-MRVPVSSYSA-N -1 0 313.335 -0.457 20 0 DBADRM CCOc1nc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)co1 ZINC001038457255 671451137 /nfs/dbraw/zinc/45/11/37/671451137.db2.gz MUFIWRRORZIDGS-QMMMGPOBSA-N -1 0 322.325 -0.099 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@]1(O)CCSC1 ZINC000866907382 671452564 /nfs/dbraw/zinc/45/25/64/671452564.db2.gz COXMGOKNXBIIDQ-PWJLMRLQSA-N -1 0 302.443 -0.194 20 0 DBADRM CCC(CC)N1C[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])CC1=O ZINC000262472741 671459001 /nfs/dbraw/zinc/45/90/01/671459001.db2.gz HBLMXJUBYWPKCV-OTYXRUKQSA-N -1 0 300.355 -0.025 20 0 DBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cn1 ZINC000728763618 671465547 /nfs/dbraw/zinc/46/55/47/671465547.db2.gz TVKQSZPQHPEDCR-UHFFFAOYSA-N -1 0 323.334 -0.707 20 0 DBADRM CN(C)[C@]1(C[N-]S(=O)(=O)N=S(C)(C)=O)CCSC1 ZINC000866915766 671465830 /nfs/dbraw/zinc/46/58/30/671465830.db2.gz KZMOQIROGNVNJA-VIFPVBQESA-N -1 0 315.486 -0.014 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1cc(Cl)cn1 ZINC000797304205 671498824 /nfs/dbraw/zinc/49/88/24/671498824.db2.gz MNOPRSPQGDYQJG-SSDOTTSWSA-N -1 0 323.758 -0.066 20 0 DBADRM C[C@](O)(CNC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)[O-] ZINC000262531447 671494819 /nfs/dbraw/zinc/49/48/19/671494819.db2.gz PQGBFCFUBQJMRR-AWEZNQCLSA-N -1 0 312.297 -0.564 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1ccc(C)cc1=O ZINC000797278760 671496019 /nfs/dbraw/zinc/49/60/19/671496019.db2.gz DPFXYRDGMFHHRY-VIFPVBQESA-N -1 0 316.335 -0.836 20 0 DBADRM C[N@@H+](Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001029876846 671548402 /nfs/dbraw/zinc/54/84/02/671548402.db2.gz KUIHUYVKVKKOSI-SNVBAGLBSA-N -1 0 319.369 -0.244 20 0 DBADRM C[C@@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1ccnn1C ZINC000986066513 671558789 /nfs/dbraw/zinc/55/87/89/671558789.db2.gz OIFWDZNZAZFRSF-ZJUUUORDSA-N -1 0 319.369 -0.765 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NCc3nncn3C)[C@@H]2C)c1[O-] ZINC000986157576 671568903 /nfs/dbraw/zinc/56/89/03/671568903.db2.gz IWYCPBVCOULPBH-VHSXEESVSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@@H]1[C@@H](NCc2ccon2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000986485178 671596410 /nfs/dbraw/zinc/59/64/10/671596410.db2.gz CHZKCZABUIVBAF-APPZFPTMSA-N -1 0 320.309 -0.336 20 0 DBADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CN1CCCS1(=O)=O ZINC000263049986 671624068 /nfs/dbraw/zinc/62/40/68/671624068.db2.gz RZNJAVHRPHUVGI-NHCYSSNCSA-N -1 0 316.379 -0.266 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CCN(C(=O)C(N)=O)CC2)c1[O-] ZINC000986980872 671631961 /nfs/dbraw/zinc/63/19/61/671631961.db2.gz QJYZRNBBADLJGK-ZETCQYMHSA-N -1 0 323.353 -0.734 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCCC[C@@H](NC(=O)C(N)=O)C2)c1[O-] ZINC000986991642 671633883 /nfs/dbraw/zinc/63/38/83/671633883.db2.gz KMWZMPPWUWOOEN-SECBINFHSA-N -1 0 323.353 -0.590 20 0 DBADRM NC(=O)NCCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000729096533 671634194 /nfs/dbraw/zinc/63/41/94/671634194.db2.gz MHOKHAGZJSBKCN-JTQLQIEISA-N -1 0 321.399 -0.160 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)N(C)C1CCOCC1 ZINC000737795510 671645270 /nfs/dbraw/zinc/64/52/70/671645270.db2.gz LIXFAXUXFDICGC-UHFFFAOYSA-N -1 0 324.399 -0.235 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccccc2)C1 ZINC000170306967 671659960 /nfs/dbraw/zinc/65/99/60/671659960.db2.gz WDEMPMCHZYRLMA-JTQLQIEISA-N -1 0 312.347 -0.102 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@H]1COCCO1)C(=O)[O-] ZINC000263226751 671664868 /nfs/dbraw/zinc/66/48/68/671664868.db2.gz AWIOFKQJQDMJHW-VHSXEESVSA-N -1 0 302.327 -0.867 20 0 DBADRM C[C@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cc1ncc[nH]1 ZINC000987261635 671665919 /nfs/dbraw/zinc/66/59/19/671665919.db2.gz SIAVBAAALBMQLQ-VHSXEESVSA-N -1 0 319.369 -0.847 20 0 DBADRM COc1cc(N2CCN(C(=O)NCCC(=O)[O-])CC2)ncn1 ZINC000263331544 671685331 /nfs/dbraw/zinc/68/53/31/671685331.db2.gz CLBBLGLCCMFFGV-UHFFFAOYSA-N -1 0 309.326 -0.209 20 0 DBADRM C[C@H]1[C@H](NCc2ccon2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987419203 671685704 /nfs/dbraw/zinc/68/57/04/671685704.db2.gz CEIXVGYNKFNEDB-WCBMZHEXSA-N -1 0 322.325 -0.544 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C)c1[O-] ZINC000987599991 671702020 /nfs/dbraw/zinc/70/20/20/671702020.db2.gz XQUGYXOLXXDROK-SFYZADRCSA-N -1 0 319.325 -0.425 20 0 DBADRM CC(=O)N(C)C[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000988010438 671741023 /nfs/dbraw/zinc/74/10/23/671741023.db2.gz PXZCVRVJHNFBMV-NSHDSACASA-N -1 0 317.349 -0.037 20 0 DBADRM CC(=O)N(C)C[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000988010431 671741475 /nfs/dbraw/zinc/74/14/75/671741475.db2.gz PXZCVRVJHNFBMV-LLVKDONJSA-N -1 0 317.349 -0.037 20 0 DBADRM C[C@@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)Cc1cc[nH]n1 ZINC000988447669 671802534 /nfs/dbraw/zinc/80/25/34/671802534.db2.gz KFLODTVNSXKVIV-SCZZXKLOSA-N -1 0 305.342 -0.445 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NCc3nnnn3C)C[C@H]2C)c1[O-] ZINC000988660482 671831772 /nfs/dbraw/zinc/83/17/72/671831772.db2.gz DLCHYAGLZCEOTP-APPZFPTMSA-N -1 0 320.357 -0.660 20 0 DBADRM CC(=O)N[C@]12CCC[C@@H]1N(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC001014113618 671832545 /nfs/dbraw/zinc/83/25/45/671832545.db2.gz KVIZSZCUWRERML-SDBXPKJASA-N -1 0 307.310 -0.444 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)CC(C)(C)O)C2)c1[O-] ZINC000937833120 671840223 /nfs/dbraw/zinc/84/02/23/671840223.db2.gz XZCSHEBVRUXLCB-VIFPVBQESA-N -1 0 310.354 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cn(C)nn3)C2)c1[O-] ZINC000937832768 671840376 /nfs/dbraw/zinc/84/03/76/671840376.db2.gz UTHNIEQMZZVPKJ-QMMMGPOBSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cnnn3C)C2)c1[O-] ZINC000937889309 671846325 /nfs/dbraw/zinc/84/63/25/671846325.db2.gz PDOVEWBDBAUXCD-QMMMGPOBSA-N -1 0 319.325 -0.803 20 0 DBADRM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccccc1[O-] ZINC000163461893 671854625 /nfs/dbraw/zinc/85/46/25/671854625.db2.gz MKTYNBXSPDEIEX-VIFPVBQESA-N -1 0 301.320 -0.045 20 0 DBADRM CCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)c1nnn[n-]1 ZINC000343722065 671855061 /nfs/dbraw/zinc/85/50/61/671855061.db2.gz HBJFXWCRSDASSA-WCBMZHEXSA-N -1 0 318.341 -0.067 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)c1[O-] ZINC000938072278 671865419 /nfs/dbraw/zinc/86/54/19/671865419.db2.gz RWGBWVGJWHOVIM-YHAQOWFVSA-N -1 0 320.349 -0.209 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](NC(=O)c2cc[nH]c2)C1 ZINC000938082174 671867920 /nfs/dbraw/zinc/86/79/20/671867920.db2.gz QCAHSGAGGGVVCT-VIFPVBQESA-N -1 0 320.309 -0.952 20 0 DBADRM CC(C)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC000989113945 671879508 /nfs/dbraw/zinc/87/95/08/671879508.db2.gz NLSCVCHMMFWWBO-SFYZADRCSA-N -1 0 309.326 -0.342 20 0 DBADRM C[C@H]1C[C@@H](NCc2ccon2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989112250 671879609 /nfs/dbraw/zinc/87/96/09/671879609.db2.gz OXAGSGPPHSNFNR-IONNQARKSA-N -1 0 320.309 -0.336 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989194721 671996961 /nfs/dbraw/zinc/99/69/61/671996961.db2.gz DCYSLDRDIXWVHI-JXUBOQSCSA-N -1 0 323.353 -0.549 20 0 DBADRM CC(C)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989197595 671997779 /nfs/dbraw/zinc/99/77/79/671997779.db2.gz GFJNIBKBPPCGCQ-BDAKNGLRSA-N -1 0 311.342 -0.549 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)CC1CC1 ZINC000989199215 671997812 /nfs/dbraw/zinc/99/78/12/671997812.db2.gz ROWQPEVELIKLCC-SCZZXKLOSA-N -1 0 323.353 -0.405 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000729894017 672496358 /nfs/dbraw/zinc/49/63/58/672496358.db2.gz MXCCQJAMXAZWCY-UHFFFAOYSA-N -1 0 322.774 -0.205 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000729913614 672497362 /nfs/dbraw/zinc/49/73/62/672497362.db2.gz XZLFMQGEVHGSBS-NSHDSACASA-N -1 0 321.424 -0.247 20 0 DBADRM O=C([C@@H]1C[C@]12CCOC2)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000989440331 672510739 /nfs/dbraw/zinc/51/07/39/672510739.db2.gz UTADFMRVODMJJE-NHYWBVRUSA-N -1 0 321.381 -0.029 20 0 DBADRM Cc1nn(C)cc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038111510 672549420 /nfs/dbraw/zinc/54/94/20/672549420.db2.gz AAHDQPJRGQPUOZ-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014396547 672559463 /nfs/dbraw/zinc/55/94/63/672559463.db2.gz UUVOGYDEWANSDI-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM C[C@@H]1C[C@H](NCc2ccon2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000989717431 672589046 /nfs/dbraw/zinc/58/90/46/672589046.db2.gz FLMVDIHRXNCCEW-SCZZXKLOSA-N -1 0 322.325 -0.544 20 0 DBADRM O=C(CC1CCCC1)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000990109083 672648719 /nfs/dbraw/zinc/64/87/19/672648719.db2.gz PZWSXXOVGUQFQA-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000990129722 672652434 /nfs/dbraw/zinc/65/24/34/672652434.db2.gz QOCXULMQHZHXKP-APPZFPTMSA-N -1 0 321.337 -0.802 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000990135718 672654298 /nfs/dbraw/zinc/65/42/98/672654298.db2.gz JHYMSEHPGHXKBV-WPRPVWTQSA-N -1 0 315.333 -0.381 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)c2ccsc2)C1 ZINC000990175572 672667771 /nfs/dbraw/zinc/66/77/71/672667771.db2.gz GNOONWNAWSVGTR-UHFFFAOYSA-N -1 0 323.334 -0.608 20 0 DBADRM Cc1cc(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)on1 ZINC000990206054 672681881 /nfs/dbraw/zinc/68/18/81/672681881.db2.gz UESUACMUJFDLCF-UHFFFAOYSA-N -1 0 305.294 -0.025 20 0 DBADRM O=C(C[C@@H]1CCS(=O)(=O)C1)[N-]S(=O)(=O)N1CCCCC1 ZINC000919672656 677478932 /nfs/dbraw/zinc/47/89/32/677478932.db2.gz WGWSVOSSORVWQE-JTQLQIEISA-N -1 0 324.424 -0.342 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000915172055 677342678 /nfs/dbraw/zinc/34/26/78/677342678.db2.gz QHIOJVKXFABGCR-LBPRGKRZSA-N -1 0 320.349 -0.236 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)O[C@@H]2CC(=O)N(C)C2)co1 ZINC000764736840 677345554 /nfs/dbraw/zinc/34/55/54/677345554.db2.gz SIJAOWHTLSFZEZ-MRVPVSSYSA-N -1 0 302.308 -0.425 20 0 DBADRM CCCCN(C(=O)c1cc(=O)[nH][n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000731896652 677346844 /nfs/dbraw/zinc/34/68/44/677346844.db2.gz NIWPPQLUPIKJJB-SECBINFHSA-N -1 0 301.368 -0.322 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(NC(N)=O)cc1 ZINC000731920210 677347564 /nfs/dbraw/zinc/34/75/64/677347564.db2.gz AHBMQXVNXBHCGK-UHFFFAOYSA-N -1 0 315.307 -0.590 20 0 DBADRM O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732091590 677350468 /nfs/dbraw/zinc/35/04/68/677350468.db2.gz KAHKWSLNMCRCLG-WPRPVWTQSA-N -1 0 306.326 -0.890 20 0 DBADRM O=C(CCOC[C@@H]1CCCO1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732089326 677350578 /nfs/dbraw/zinc/35/05/78/677350578.db2.gz HAKFFDSQIMBPBP-WDEREUQCSA-N -1 0 311.342 -0.315 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732090279 677350731 /nfs/dbraw/zinc/35/07/31/677350731.db2.gz RXJOUYJQGDNXNP-DTWKUNHWSA-N -1 0 312.355 -0.979 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC ZINC000788042958 677351718 /nfs/dbraw/zinc/35/17/18/677351718.db2.gz ROTHVMKPIOQTJK-BDAKNGLRSA-N -1 0 322.383 -0.454 20 0 DBADRM CS(=O)(=O)NC1(CNC(=O)c2cc(=O)[nH][n-]2)CCCCC1 ZINC000732265925 677352392 /nfs/dbraw/zinc/35/23/92/677352392.db2.gz NREZELVPOLRVDM-UHFFFAOYSA-N -1 0 316.383 -0.769 20 0 DBADRM C[C@]1(c2ccc(NC(=O)c3cc(=O)[nH][n-]3)cc2)NC(=O)NC1=O ZINC000732271281 677352695 /nfs/dbraw/zinc/35/26/95/677352695.db2.gz FAUSRCYDULXLAN-CQSZACIVSA-N -1 0 315.289 -0.444 20 0 DBADRM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cc(=O)[nH][n-]2)C1 ZINC000732277770 677352724 /nfs/dbraw/zinc/35/27/24/677352724.db2.gz OVOBZSLLGCACMN-UWVGGRQHSA-N -1 0 310.354 -0.748 20 0 DBADRM O=C(CNC(=O)c1cc(=O)[nH][n-]1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000732269397 677352765 /nfs/dbraw/zinc/35/27/65/677352765.db2.gz WOGSWEUUAWFEAU-UHFFFAOYSA-N -1 0 316.277 -0.801 20 0 DBADRM CN(C)C(=O)COc1cccc(CNC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000732272978 677352775 /nfs/dbraw/zinc/35/27/75/677352775.db2.gz GWZNOXXCDCEMEG-UHFFFAOYSA-N -1 0 318.333 -0.354 20 0 DBADRM O=C(NCCCS(=O)(=O)Cc1ccccc1)c1cc(=O)[nH][n-]1 ZINC000732268861 677352948 /nfs/dbraw/zinc/35/29/48/677352948.db2.gz DGGWATZPPBMJLY-UHFFFAOYSA-N -1 0 323.374 -0.016 20 0 DBADRM O=C(Cc1ccccc1)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000732269600 677353010 /nfs/dbraw/zinc/35/30/10/677353010.db2.gz GCLFFACNBPQFSO-UHFFFAOYSA-N -1 0 314.345 -0.224 20 0 DBADRM O=C(NCCCc1nnc2n1CCCCC2)c1cc(=O)[nH][n-]1 ZINC000732284615 677353295 /nfs/dbraw/zinc/35/32/95/677353295.db2.gz UYORJFKRKZCCRY-UHFFFAOYSA-N -1 0 304.354 -0.071 20 0 DBADRM O=C(OCC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@@H]1CNC(=O)N1 ZINC000732362145 677356971 /nfs/dbraw/zinc/35/69/71/677356971.db2.gz NLXFMJZTDCVIEZ-QMMMGPOBSA-N -1 0 324.318 -0.767 20 0 DBADRM Cn1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c(Cl)n1 ZINC001031240561 677360121 /nfs/dbraw/zinc/36/01/21/677360121.db2.gz BMFLJWQDNOJDLP-UHFFFAOYSA-N -1 0 311.733 -0.489 20 0 DBADRM C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737724597 677361496 /nfs/dbraw/zinc/36/14/96/677361496.db2.gz RJJPFSHPIOIYEL-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000732510826 677362341 /nfs/dbraw/zinc/36/23/41/677362341.db2.gz FKHVEJUVGLZOCO-VIFPVBQESA-N -1 0 304.368 -0.520 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H](C)Sc1nncn1C ZINC000732510745 677362554 /nfs/dbraw/zinc/36/25/54/677362554.db2.gz CWZBPDJPVCXSJO-QMMMGPOBSA-N -1 0 322.412 -0.222 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CN1Cc2ccccc2C1=O ZINC000732522783 677363899 /nfs/dbraw/zinc/36/38/99/677363899.db2.gz BMGWCUTVJCDZAM-UHFFFAOYSA-N -1 0 312.347 -0.265 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)cc1 ZINC000732522794 677363945 /nfs/dbraw/zinc/36/39/45/677363945.db2.gz BYKPZOOIJKCBMM-UHFFFAOYSA-N -1 0 310.335 -0.027 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccs1 ZINC000732523389 677364091 /nfs/dbraw/zinc/36/40/91/677364091.db2.gz MTMOULDEDNSZQJ-UHFFFAOYSA-N -1 0 320.392 -0.040 20 0 DBADRM CN(C)C(=O)CN1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001031251191 677364850 /nfs/dbraw/zinc/36/48/50/677364850.db2.gz FRPPHPREKBDIFN-UHFFFAOYSA-N -1 0 319.321 -0.569 20 0 DBADRM C[C@H](C(N)=O)N1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001031251772 677365422 /nfs/dbraw/zinc/36/54/22/677365422.db2.gz XUPZIDWGPVTNEU-ZCFIWIBFSA-N -1 0 305.294 -0.784 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000732606776 677366199 /nfs/dbraw/zinc/36/61/99/677366199.db2.gz BVZZRRDEOJAGFA-UHFFFAOYSA-N -1 0 320.392 -0.227 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000732606007 677366236 /nfs/dbraw/zinc/36/62/36/677366236.db2.gz YEFJHWHYANXXKA-QMMMGPOBSA-N -1 0 317.367 -0.295 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000788049724 677374959 /nfs/dbraw/zinc/37/49/59/677374959.db2.gz HLPHSUREVJPMDL-UHFFFAOYSA-N -1 0 314.367 -0.450 20 0 DBADRM CCc1cc(N2CCC[C@H](NC(=O)c3cc(=O)[nH][n-]3)C2)ncn1 ZINC000732914212 677380480 /nfs/dbraw/zinc/38/04/80/677380480.db2.gz IPHZWVFLKDXFPH-NSHDSACASA-N -1 0 316.365 0.000 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993683936 677384643 /nfs/dbraw/zinc/38/46/43/677384643.db2.gz BRLIJKMWYDNXSO-ZTVLKNOQSA-N -1 0 321.381 -0.128 20 0 DBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C)CC1=O ZINC000733054876 677412446 /nfs/dbraw/zinc/41/24/46/677412446.db2.gz NCALYLFLFFLFGZ-JTQLQIEISA-N -1 0 320.411 -0.027 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC000153795418 677413313 /nfs/dbraw/zinc/41/33/13/677413313.db2.gz FGLSHYSUCQHBFB-UHFFFAOYSA-N -1 0 301.368 -0.059 20 0 DBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)c2cccs2)c1=O ZINC000153835213 677414035 /nfs/dbraw/zinc/41/40/35/677414035.db2.gz AUORFZWCWWLLSH-UHFFFAOYSA-N -1 0 302.337 -0.852 20 0 DBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)c2ccccc2F)c1=O ZINC000153856787 677414264 /nfs/dbraw/zinc/41/42/64/677414264.db2.gz ISDYQQDXJVPMBE-UHFFFAOYSA-N -1 0 314.298 -0.774 20 0 DBADRM CCc1nocc1CN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001031315202 677416554 /nfs/dbraw/zinc/41/65/54/677416554.db2.gz YSCQFTVMPJJIFM-UHFFFAOYSA-N -1 0 322.325 -0.760 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(Cc2ccccn2)C1 ZINC001031317052 677417864 /nfs/dbraw/zinc/41/78/64/677417864.db2.gz VTPDXHZMUXEONW-UHFFFAOYSA-N -1 0 304.310 -0.915 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000916784714 677424467 /nfs/dbraw/zinc/42/44/67/677424467.db2.gz JNASZZZJQOZIAL-QMMMGPOBSA-N -1 0 316.383 -0.243 20 0 DBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)c1cccs1 ZINC000916755486 677424470 /nfs/dbraw/zinc/42/44/70/677424470.db2.gz FUBLBMREOBUOGH-UHFFFAOYSA-N -1 0 324.405 -0.412 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000917795997 677447443 /nfs/dbraw/zinc/44/74/43/677447443.db2.gz NMZMGHMLSBPPKN-NSHDSACASA-N -1 0 306.322 -0.231 20 0 DBADRM C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)OC2)C(=O)[O-] ZINC000917840648 677448620 /nfs/dbraw/zinc/44/86/20/677448620.db2.gz CKUPWPYWWCSANE-LHLIQPBNSA-N -1 0 315.303 -0.531 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000918087846 677452457 /nfs/dbraw/zinc/45/24/57/677452457.db2.gz NTEDNNABIFLOGD-LURJTMIESA-N -1 0 312.248 -0.874 20 0 DBADRM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cn[nH]n2)C1=O ZINC000918319501 677454719 /nfs/dbraw/zinc/45/47/19/677454719.db2.gz ZCFKMWXUOYFFKQ-ZDUSSCGKSA-N -1 0 300.278 -0.083 20 0 DBADRM O=C(Nc1ccc(N2CCNC(=O)C2)cc1)c1n[nH]c(=O)[n-]1 ZINC000918322371 677454841 /nfs/dbraw/zinc/45/48/41/677454841.db2.gz WIELYVJQHRDNRQ-UHFFFAOYSA-N -1 0 302.294 -0.301 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CC12CCOCC2 ZINC001031493774 677458000 /nfs/dbraw/zinc/45/80/00/677458000.db2.gz GOTWIPOLIBIGPO-SNVBAGLBSA-N -1 0 307.354 -0.373 20 0 DBADRM Cc1[nH]nc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1C ZINC001031589341 677475302 /nfs/dbraw/zinc/47/53/02/677475302.db2.gz RIUDTXSBNUCEPT-UHFFFAOYSA-N -1 0 305.342 -0.288 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000919669948 677478675 /nfs/dbraw/zinc/47/86/75/677478675.db2.gz FWBCPRUPUMBIIK-SECBINFHSA-N -1 0 305.400 -0.006 20 0 DBADRM CCn1nncc1CN1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001031617713 677481101 /nfs/dbraw/zinc/48/11/01/677481101.db2.gz NZESOQVSZMAIIG-UHFFFAOYSA-N -1 0 319.369 -0.103 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@@H]3CO[C@H](C)C3)C2)c1[O-] ZINC000994626395 677482674 /nfs/dbraw/zinc/48/26/74/677482674.db2.gz NNQOCZSCLZRLCQ-APPZFPTMSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1ccc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001031661034 677493700 /nfs/dbraw/zinc/49/37/00/677493700.db2.gz KTTZTTQCYRJESE-UHFFFAOYSA-N -1 0 303.326 -0.529 20 0 DBADRM Cc1cn(C)nc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031660446 677494017 /nfs/dbraw/zinc/49/40/17/677494017.db2.gz IJAZSEIKDWHEDC-UHFFFAOYSA-N -1 0 305.342 -0.586 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)C2CC=CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000938349253 677516029 /nfs/dbraw/zinc/51/60/29/677516029.db2.gz BXUDYGCMAJDGHC-VIFPVBQESA-N -1 0 319.321 -0.420 20 0 DBADRM CC[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938350424 677516274 /nfs/dbraw/zinc/51/62/74/677516274.db2.gz WUAUBWGNFPGDJM-SFYZADRCSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(F)(F)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938389115 677519938 /nfs/dbraw/zinc/51/99/38/677519938.db2.gz QSERZKNKTFBRNH-LURJTMIESA-N -1 0 319.268 -0.938 20 0 DBADRM CC[C@@H](C)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938388756 677519943 /nfs/dbraw/zinc/51/99/43/677519943.db2.gz MICRDWJRLFSSQY-BDAKNGLRSA-N -1 0 311.342 -0.548 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938388284 677520140 /nfs/dbraw/zinc/52/01/40/677520140.db2.gz DTWNEVMVHSBKKN-IPQKIJNHSA-N -1 0 309.326 -0.627 20 0 DBADRM CN(C(=O)c1cc[nH]n1)[C@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC000938735995 677550894 /nfs/dbraw/zinc/55/08/94/677550894.db2.gz FGDLYOLBNDPJIP-VIFPVBQESA-N -1 0 316.321 -0.108 20 0 DBADRM CN(C(=O)CC1CC1)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938942948 677563881 /nfs/dbraw/zinc/56/38/81/677563881.db2.gz OYDDCYYQWCMYAI-SECBINFHSA-N -1 0 321.337 -0.244 20 0 DBADRM CN(C(=O)CC1CC1)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938942949 677564033 /nfs/dbraw/zinc/56/40/33/677564033.db2.gz OYDDCYYQWCMYAI-VIFPVBQESA-N -1 0 321.337 -0.244 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938944748 677564226 /nfs/dbraw/zinc/56/42/26/677564226.db2.gz VJUKKESBDLMBDV-YIZRAAEISA-N -1 0 321.337 -0.388 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938944746 677564246 /nfs/dbraw/zinc/56/42/46/677564246.db2.gz VJUKKESBDLMBDV-HRDYMLBCSA-N -1 0 321.337 -0.388 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938944747 677564424 /nfs/dbraw/zinc/56/44/24/677564424.db2.gz VJUKKESBDLMBDV-IWSPIJDZSA-N -1 0 321.337 -0.388 20 0 DBADRM C[C@H](c1nnnn1C)N1CC(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001031757126 677564739 /nfs/dbraw/zinc/56/47/39/677564739.db2.gz IJHJOMJRSVDSAX-MRVPVSSYSA-N -1 0 318.341 -0.872 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC000938976023 677565659 /nfs/dbraw/zinc/56/56/59/677565659.db2.gz VUQOPAMPOQDESK-DTWKUNHWSA-N -1 0 321.337 -0.794 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)[C@@H]1CC12CC2 ZINC000938973693 677566030 /nfs/dbraw/zinc/56/60/30/677566030.db2.gz YUWUSWKOILJXGN-YUMQZZPRSA-N -1 0 319.321 -0.586 20 0 DBADRM CC(C)C(=O)N(C)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938983316 677566357 /nfs/dbraw/zinc/56/63/57/677566357.db2.gz CXMLRQHMAFBQAD-SECBINFHSA-N -1 0 311.342 -0.595 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]cn3)C2)c1[O-] ZINC000938989786 677566758 /nfs/dbraw/zinc/56/67/58/677566758.db2.gz AHDKVZDSTFWJDW-VIFPVBQESA-N -1 0 318.337 -0.280 20 0 DBADRM CC(C)C(=O)N(C)[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938996871 677568259 /nfs/dbraw/zinc/56/82/59/677568259.db2.gz YNIRFLGMZWRFFD-JTQLQIEISA-N -1 0 322.365 -0.185 20 0 DBADRM CN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938996949 677568281 /nfs/dbraw/zinc/56/82/81/677568281.db2.gz ZUYILZUNDVBVKE-JTQLQIEISA-N -1 0 320.349 -0.431 20 0 DBADRM Cc1c(C(=O)[N-]NC(=O)CO)nnn1-c1ccccc1Cl ZINC000180951636 677569582 /nfs/dbraw/zinc/56/95/82/677569582.db2.gz MAHBYFDOYUMLFO-UHFFFAOYSA-N -1 0 309.713 -0.018 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](NC(=O)C2CCCC2)C1 ZINC000939030958 677571024 /nfs/dbraw/zinc/57/10/24/677571024.db2.gz SAXYCDZXQOIUBI-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM CO[C@H]1CC[C@H](C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001031793055 677581594 /nfs/dbraw/zinc/58/15/94/677581594.db2.gz XOMMOXSTGOPMMY-QWRGUYRKSA-N -1 0 309.370 -0.127 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn(CCF)c1 ZINC001031800423 677583120 /nfs/dbraw/zinc/58/31/20/677583120.db2.gz PQICUNLYOXYPPV-UHFFFAOYSA-N -1 0 323.332 -0.462 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cnn(C)c3)C2)c1[O-] ZINC000939348064 677598533 /nfs/dbraw/zinc/59/85/33/677598533.db2.gz VWPBLWIDBJEYTP-SNVBAGLBSA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1cc(CN2CC(CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)no1 ZINC001031817454 677602034 /nfs/dbraw/zinc/60/20/34/677602034.db2.gz GQFBUSLUWHTSJF-UHFFFAOYSA-N -1 0 320.309 -0.559 20 0 DBADRM Cc1cc(CN2CC(CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)on1 ZINC001031817810 677602964 /nfs/dbraw/zinc/60/29/64/677602964.db2.gz UWPQDVYQYDRWNP-UHFFFAOYSA-N -1 0 320.309 -0.559 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]c3)C2)c1[O-] ZINC000939542767 677614174 /nfs/dbraw/zinc/61/41/74/677614174.db2.gz MLIGKGOKEDXUPH-SECBINFHSA-N -1 0 304.310 -0.209 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001031859588 677638935 /nfs/dbraw/zinc/63/89/35/677638935.db2.gz ZSSHWLQROOCAJH-OQEOFVATSA-N -1 0 319.365 -0.518 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCN(CCF)CC1 ZINC000951793455 677643967 /nfs/dbraw/zinc/64/39/67/677643967.db2.gz RVWXHZBXYLOBGU-UHFFFAOYSA-N -1 0 308.317 -0.815 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCCO3)C2)c1[O-] ZINC000940039020 677645341 /nfs/dbraw/zinc/64/53/41/677645341.db2.gz WGYFRJZWTQWQLS-ZJUUUORDSA-N -1 0 308.338 -0.067 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3n[nH]cc3F)C2)c1[O-] ZINC000940047773 677645514 /nfs/dbraw/zinc/64/55/14/677645514.db2.gz QELGKZINDYKSDT-SSDOTTSWSA-N -1 0 322.300 -0.070 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)Cn3nccn3)C2)c1[O-] ZINC000940047364 677645606 /nfs/dbraw/zinc/64/56/06/677645606.db2.gz CXDDMUOGKIRGAE-SECBINFHSA-N -1 0 319.325 -0.954 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1[O-] ZINC000940049410 677645621 /nfs/dbraw/zinc/64/56/21/677645621.db2.gz HPLUMSDWCKGHJY-ZNSHCXBVSA-N -1 0 320.349 -0.353 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)Cn3cccn3)C2)c1[O-] ZINC000940038707 677645773 /nfs/dbraw/zinc/64/57/73/677645773.db2.gz LAHPWAJEKQXEES-SNVBAGLBSA-N -1 0 318.337 -0.349 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN(C(=O)c3cn[nH]n3)CC2)c1[O-] ZINC000940785987 677714211 /nfs/dbraw/zinc/71/42/11/677714211.db2.gz ORYSGVJRBIHMKW-UHFFFAOYSA-N -1 0 319.325 -0.470 20 0 DBADRM O=C(CO)N[N-]C(=O)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000182741419 677737438 /nfs/dbraw/zinc/73/74/38/677737438.db2.gz FCIVLSDQHUBATG-UHFFFAOYSA-N -1 0 313.676 -0.187 20 0 DBADRM CCCNC(=O)N[N-]S(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000070776655 677749588 /nfs/dbraw/zinc/74/95/88/677749588.db2.gz ZJSBZGQHDAPHQS-UHFFFAOYSA-N -1 0 314.367 -0.051 20 0 DBADRM O=C(C1CC1)N1CCN(C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000941270882 677768749 /nfs/dbraw/zinc/76/87/49/677768749.db2.gz VURBCXQRZHRRDG-UHFFFAOYSA-N -1 0 306.370 -0.751 20 0 DBADRM CCc1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)n(C)n1 ZINC000941446580 677805453 /nfs/dbraw/zinc/80/54/53/677805453.db2.gz YNAFLPXQEHQEFW-SNVBAGLBSA-N -1 0 317.353 -0.255 20 0 DBADRM CCOC1CC(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)C1 ZINC000941442932 677808014 /nfs/dbraw/zinc/80/80/14/677808014.db2.gz CYECCSHWQKWHBB-HSOILSAZSA-N -1 0 307.354 -0.050 20 0 DBADRM C[C@@H]1COCC[C@@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031958253 677823711 /nfs/dbraw/zinc/82/37/11/677823711.db2.gz ACZAADBYMCDHFR-KOLCDFICSA-N -1 0 309.370 -0.269 20 0 DBADRM CC1(C)C[C@H]1C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941788592 677848793 /nfs/dbraw/zinc/84/87/93/677848793.db2.gz GHEABOYZGUTTRR-SFYZADRCSA-N -1 0 321.337 -0.340 20 0 DBADRM NC(=O)[C@H]1CCC[C@@H](C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)C1 ZINC000995177951 677853202 /nfs/dbraw/zinc/85/32/02/677853202.db2.gz SQPDSLFDFOXHKU-DTWKUNHWSA-N -1 0 320.353 -0.963 20 0 DBADRM O=C(CCc1cncnc1)N1CC(NC(=O)c2cn[nH]n2)C1 ZINC000995177882 677853413 /nfs/dbraw/zinc/85/34/13/677853413.db2.gz QWEGSVBPHDBPLX-UHFFFAOYSA-N -1 0 301.310 -0.832 20 0 DBADRM O=C(NC1CN(C(=O)c2cnn3ccncc23)C1)c1cn[nH]n1 ZINC000995177802 677853462 /nfs/dbraw/zinc/85/34/62/677853462.db2.gz DOUSQEGQPSOLFK-UHFFFAOYSA-N -1 0 312.293 -0.898 20 0 DBADRM CC(C)(F)C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000941934239 677862379 /nfs/dbraw/zinc/86/23/79/677862379.db2.gz NXZGISNDXBNDJX-SSDOTTSWSA-N -1 0 315.305 -0.846 20 0 DBADRM CC1(C(=O)N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CCC1 ZINC000941939989 677864727 /nfs/dbraw/zinc/86/47/27/677864727.db2.gz QTAOSPRWMMFAAR-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000941939830 677864906 /nfs/dbraw/zinc/86/49/06/677864906.db2.gz NWTZJEFZCYUWNV-YIZRAAEISA-N -1 0 309.326 -0.938 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cn(C)cn1 ZINC000941951232 677866640 /nfs/dbraw/zinc/86/66/40/677866640.db2.gz QQZRZQJIYNYLNF-VHSXEESVSA-N -1 0 319.369 -0.116 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1ncc[nH]1 ZINC000942029669 677877143 /nfs/dbraw/zinc/87/71/43/677877143.db2.gz PCFNNIUYOCUYKU-IUCAKERBSA-N -1 0 305.342 -0.126 20 0 DBADRM CC(=O)NC[C@]12CCC[C@H]1N(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC000995200504 677881599 /nfs/dbraw/zinc/88/15/99/677881599.db2.gz KQBANRHLDBIPGH-YMTOWFKASA-N -1 0 321.337 -0.196 20 0 DBADRM CCn1nc(C)cc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032000047 677892374 /nfs/dbraw/zinc/89/23/74/677892374.db2.gz NMUHSFFOBIQZKE-UHFFFAOYSA-N -1 0 319.369 -0.103 20 0 DBADRM Cn1ccc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000995220306 677900301 /nfs/dbraw/zinc/90/03/01/677900301.db2.gz BMEZPZVJKWJVIA-UWVGGRQHSA-N -1 0 319.369 -0.068 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1)c1ccncn1 ZINC000942255939 677900491 /nfs/dbraw/zinc/90/04/91/677900491.db2.gz YRUIRNOLRQYPGN-SECBINFHSA-N -1 0 314.305 -0.383 20 0 DBADRM CCCn1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001032017691 677924569 /nfs/dbraw/zinc/92/45/69/677924569.db2.gz VWFCQSJMFLYECQ-UHFFFAOYSA-N -1 0 319.369 -0.021 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000942565614 677946000 /nfs/dbraw/zinc/94/60/00/677946000.db2.gz OGQGAANGSBUEPK-HMUNZLOLSA-N -1 0 321.381 -0.271 20 0 DBADRM CCC(=O)N1CC[C@@H](N(CC)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000942898932 677968363 /nfs/dbraw/zinc/96/83/63/677968363.db2.gz YTJOXLDJLGWCPV-SNVBAGLBSA-N -1 0 322.365 -0.041 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCCN(C(=O)C(N)=O)C2)c1[O-] ZINC000943191776 677981412 /nfs/dbraw/zinc/98/14/12/677981412.db2.gz BSZVCABUUJDKGC-QMMMGPOBSA-N -1 0 309.326 -0.980 20 0 DBADRM O=C(N[C@@H]1CCCCN(C(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000943397442 677992847 /nfs/dbraw/zinc/99/28/47/677992847.db2.gz XONMGXSGOPOBFC-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CCN(C(=O)CC2CC2)CC1 ZINC000943424068 677994238 /nfs/dbraw/zinc/99/42/38/677994238.db2.gz DORXOSNZDUFLMM-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCC[C@H](NC(=O)C(N)=O)C2)c1[O-] ZINC000943498301 678002280 /nfs/dbraw/zinc/00/22/80/678002280.db2.gz QZSHCPDNJZMNGZ-QMMMGPOBSA-N -1 0 309.326 -0.980 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)Cc1ncc[nH]1 ZINC000943765547 678016728 /nfs/dbraw/zinc/01/67/28/678016728.db2.gz DDHJIKVOVBOIIW-ZJUUUORDSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000943827866 678021124 /nfs/dbraw/zinc/02/11/24/678021124.db2.gz YETGFUGUGRQRBF-IONNQARKSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000943827864 678021426 /nfs/dbraw/zinc/02/14/26/678021426.db2.gz YETGFUGUGRQRBF-APPZFPTMSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(C)=CC(=O)N1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000943851768 678024728 /nfs/dbraw/zinc/02/47/28/678024728.db2.gz DRVIVTBTTUGMLS-UHFFFAOYSA-N -1 0 321.337 -0.030 20 0 DBADRM C/C=C(\C)C(=O)N1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943944112 678036780 /nfs/dbraw/zinc/03/67/80/678036780.db2.gz PDQIAIPLQJTACY-QZGLAHODSA-N -1 0 321.337 -0.030 20 0 DBADRM O=C(NC[C@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C1CCC1 ZINC000944161033 678059963 /nfs/dbraw/zinc/05/99/63/678059963.db2.gz OBTAIRGMCUCZOS-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000944161048 678060268 /nfs/dbraw/zinc/06/02/68/678060268.db2.gz OGEPOZJTCCIJHO-YIZRAAEISA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1ccn(C)n1 ZINC000944920229 678135491 /nfs/dbraw/zinc/13/54/91/678135491.db2.gz SKRJAJYVEJFANB-ZJUUUORDSA-N -1 0 319.369 -0.116 20 0 DBADRM C[C@H]1CN(C(=O)c2cnsn2)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000945197275 678145305 /nfs/dbraw/zinc/14/53/05/678145305.db2.gz FHJIJTDBVOHWHT-YUMQZZPRSA-N -1 0 321.366 -0.063 20 0 DBADRM C[C@H]1CN(C(=O)c2cnnn2C)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000945310909 678149807 /nfs/dbraw/zinc/14/98/07/678149807.db2.gz ONHKDVGWDQNHJM-DTWKUNHWSA-N -1 0 318.341 -0.786 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2nccn2)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000945341407 678150540 /nfs/dbraw/zinc/15/05/40/678150540.db2.gz NMKPJRRRHCFCJE-ZJUUUORDSA-N -1 0 318.341 -0.937 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000945433469 678155575 /nfs/dbraw/zinc/15/55/75/678155575.db2.gz RWTIXVDLOSISLX-BDAKNGLRSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(C1=COCCO1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032262605 678160230 /nfs/dbraw/zinc/16/02/30/678160230.db2.gz DGEDJBXKHDZECU-IUCAKERBSA-N -1 0 307.310 -0.816 20 0 DBADRM CC(=O)N[C@H](C)[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000945654284 678169219 /nfs/dbraw/zinc/16/92/19/678169219.db2.gz MZXJOKOHXKURHE-SCZZXKLOSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)C(N)=O)C2)c1[O-] ZINC000945671895 678170280 /nfs/dbraw/zinc/17/02/80/678170280.db2.gz WKOOSCLYAUPTDS-IONNQARKSA-N -1 0 323.353 -0.734 20 0 DBADRM CC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000945822426 678179700 /nfs/dbraw/zinc/17/97/00/678179700.db2.gz RMOAOWPAZFMQMF-VHSXEESVSA-N -1 0 309.326 -0.841 20 0 DBADRM CC(=O)N1CC[C@@H]2[C@H](CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000945822424 678179775 /nfs/dbraw/zinc/17/97/75/678179775.db2.gz RMOAOWPAZFMQMF-NXEZZACHSA-N -1 0 309.326 -0.841 20 0 DBADRM O=C(CCn1cccn1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032285341 678196747 /nfs/dbraw/zinc/19/67/47/678196747.db2.gz MEELMTMXPSSSBX-QWRGUYRKSA-N -1 0 317.353 -0.418 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC000733717464 678253988 /nfs/dbraw/zinc/25/39/88/678253988.db2.gz MZXKAMJJFKOKKR-VIFPVBQESA-N -1 0 306.384 -0.226 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC000733716554 678254523 /nfs/dbraw/zinc/25/45/23/678254523.db2.gz SGSDTELGIOELEL-MNOVXSKESA-N -1 0 320.411 -0.028 20 0 DBADRM CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733721140 678255562 /nfs/dbraw/zinc/25/55/62/678255562.db2.gz YYSLYHUCFVPTFL-SNVBAGLBSA-N -1 0 306.384 -0.226 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Sc1nncn1C ZINC000733714097 678255604 /nfs/dbraw/zinc/25/56/04/678255604.db2.gz BMFCFYLIJXIVDQ-SFYZADRCSA-N -1 0 322.412 -0.223 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733720060 678255848 /nfs/dbraw/zinc/25/58/48/678255848.db2.gz BSBPOKIVHCQDIT-WDEREUQCSA-N -1 0 318.395 -0.132 20 0 DBADRM NC(=O)c1csc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1 ZINC000733719284 678255975 /nfs/dbraw/zinc/25/59/75/678255975.db2.gz LDOZKBXTNULJND-SSDOTTSWSA-N -1 0 304.349 -0.305 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@]12CCC(=O)N1CCS2 ZINC000733722912 678256352 /nfs/dbraw/zinc/25/63/52/678256352.db2.gz NOULKBPSXPFQCW-GZMMTYOYSA-N -1 0 320.392 -0.713 20 0 DBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)c1 ZINC000733865639 678263937 /nfs/dbraw/zinc/26/39/37/678263937.db2.gz LKYPLTQCOBATCU-UHFFFAOYSA-N -1 0 321.380 -0.914 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cccn(C)c1=O ZINC000734087541 678273666 /nfs/dbraw/zinc/27/36/66/678273666.db2.gz GMEITVHWWVTOBL-UHFFFAOYSA-N -1 0 316.335 -0.602 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1=O ZINC000734109295 678273939 /nfs/dbraw/zinc/27/39/39/678273939.db2.gz PHTGODYNWVFGCU-JTQLQIEISA-N -1 0 318.337 -0.803 20 0 DBADRM O=C(NC1CN(C(=O)C2CC=CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996744343 678290707 /nfs/dbraw/zinc/29/07/07/678290707.db2.gz JUFDNKNWQSCVQR-UHFFFAOYSA-N -1 0 305.294 -0.810 20 0 DBADRM O=C(NC1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996742201 678290857 /nfs/dbraw/zinc/29/08/57/678290857.db2.gz AQZJJNIFIPEVBA-JIGDXULJSA-N -1 0 319.321 -0.731 20 0 DBADRM CCC(CC)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996746098 678290873 /nfs/dbraw/zinc/29/08/73/678290873.db2.gz QVKNOKZBLXGVRM-UHFFFAOYSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@@H](C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C(C)(C)C ZINC000996744275 678290878 /nfs/dbraw/zinc/29/08/78/678290878.db2.gz JOOAWXMEWCFLKY-ZETCQYMHSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1cocc1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996747321 678291672 /nfs/dbraw/zinc/29/16/72/678291672.db2.gz YFSBOZHZGJVRHD-UHFFFAOYSA-N -1 0 319.277 -0.561 20 0 DBADRM CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000734972788 678307498 /nfs/dbraw/zinc/30/74/98/678307498.db2.gz NIHZYOJHYJTVDD-MRVPVSSYSA-N -1 0 321.376 -0.070 20 0 DBADRM CS(=O)(=O)[N-]C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000735202963 678322408 /nfs/dbraw/zinc/32/24/08/678322408.db2.gz KNFSDVKVYNGENW-UHFFFAOYSA-N -1 0 308.319 -0.339 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CCCn2ccccc2=O)cn1 ZINC000735203650 678322538 /nfs/dbraw/zinc/32/25/38/678322538.db2.gz JZUAIIKGTSWRON-UHFFFAOYSA-N -1 0 324.362 -0.133 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C)ccn1 ZINC000755686114 678322991 /nfs/dbraw/zinc/32/29/91/678322991.db2.gz HNQXFOQRQBKZCC-NSHDSACASA-N -1 0 313.379 -0.084 20 0 DBADRM CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735404537 678326492 /nfs/dbraw/zinc/32/64/92/678326492.db2.gz YAZMZYGDRKNJEU-MRVPVSSYSA-N -1 0 312.347 -0.188 20 0 DBADRM NC(=O)c1ccc(N2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)cc1 ZINC000735520807 678333271 /nfs/dbraw/zinc/33/32/71/678333271.db2.gz ALYLUQCCPDPKAF-UHFFFAOYSA-N -1 0 315.333 -0.690 20 0 DBADRM CCCOCC(=O)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC ZINC000735768213 678343077 /nfs/dbraw/zinc/34/30/77/678343077.db2.gz HZTOLCBVCQKBRO-JTQLQIEISA-N -1 0 322.383 -0.199 20 0 DBADRM COC(=O)[C@@](C)(NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC000736052760 678362098 /nfs/dbraw/zinc/36/20/98/678362098.db2.gz RSFBBPZIEYIWLA-AWEZNQCLSA-N -1 0 319.321 -0.471 20 0 DBADRM O=C(Cc1cncnc1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032378282 678378905 /nfs/dbraw/zinc/37/89/05/678378905.db2.gz XXROVBMWUKOLJN-QWRGUYRKSA-N -1 0 315.337 -0.672 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000888324425 678400392 /nfs/dbraw/zinc/40/03/92/678400392.db2.gz YHKNSGQRNZNGKE-LLVKDONJSA-N -1 0 310.358 -0.083 20 0 DBADRM CCc1nc(CN2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)no1 ZINC000736674369 678418723 /nfs/dbraw/zinc/41/87/23/678418723.db2.gz SKBFFLINNGDKLV-UHFFFAOYSA-N -1 0 306.326 -0.848 20 0 DBADRM CC(C)[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997259094 678423304 /nfs/dbraw/zinc/42/33/04/678423304.db2.gz ZRQVJVYPJXAMFL-UWVGGRQHSA-N -1 0 323.353 -0.692 20 0 DBADRM C[C@H]1CC[C@H](C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000997258781 678423379 /nfs/dbraw/zinc/42/33/79/678423379.db2.gz VLPXJPYEQBDQCZ-IUCAKERBSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@@H](C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CCC1 ZINC000997260939 678423686 /nfs/dbraw/zinc/42/36/86/678423686.db2.gz MTMRVSBWCKLBEI-MRVPVSSYSA-N -1 0 323.353 -0.548 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997263693 678424123 /nfs/dbraw/zinc/42/41/23/678424123.db2.gz GCSLBOQZFKZBGH-MRVPVSSYSA-N -1 0 309.326 -0.938 20 0 DBADRM C/C(=C\C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000997262353 678424125 /nfs/dbraw/zinc/42/41/25/678424125.db2.gz BRMNTAMEFHRJCE-XBXARRHUSA-N -1 0 321.337 -0.627 20 0 DBADRM CC1(CC(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000997261970 678424202 /nfs/dbraw/zinc/42/42/02/678424202.db2.gz SIZRJVXCAPQBJI-UHFFFAOYSA-N -1 0 309.326 -0.794 20 0 DBADRM CCC(CC)C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997265818 678424616 /nfs/dbraw/zinc/42/46/16/678424616.db2.gz ORNVFDJRUGNUCO-UHFFFAOYSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)C[C@H]2C=CCC2)C1 ZINC000997267901 678424663 /nfs/dbraw/zinc/42/46/63/678424663.db2.gz WQGYKVIKVXPRQT-VIFPVBQESA-N -1 0 321.337 -0.627 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997358415 678433485 /nfs/dbraw/zinc/43/34/85/678433485.db2.gz MFZYXPVHMPWVRK-APPZFPTMSA-N -1 0 306.322 -0.918 20 0 DBADRM CCC(C)(C)C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997361413 678436498 /nfs/dbraw/zinc/43/64/98/678436498.db2.gz NEUHBMFXNSGSEJ-UHFFFAOYSA-N -1 0 322.365 -0.137 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000888328119 678463476 /nfs/dbraw/zinc/46/34/76/678463476.db2.gz CYHLEMXSGSKYIU-KWBADKCTSA-N -1 0 310.358 -0.085 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N(CCO)C1CCSCC1 ZINC000888328124 678463565 /nfs/dbraw/zinc/46/35/65/678463565.db2.gz DAFYXXJGUTYNSO-UHFFFAOYSA-N -1 0 300.388 -0.163 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000888339702 678466105 /nfs/dbraw/zinc/46/61/05/678466105.db2.gz LVQYVCGUEKBDRW-SSDOTTSWSA-N -1 0 307.280 -0.127 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000888339703 678466523 /nfs/dbraw/zinc/46/65/23/678466523.db2.gz LVQYVCGUEKBDRW-ZETCQYMHSA-N -1 0 307.280 -0.127 20 0 DBADRM CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001032499280 678478355 /nfs/dbraw/zinc/47/83/55/678478355.db2.gz WMAJRGJBPVDOMV-VGMNWLOBSA-N -1 0 309.326 -0.784 20 0 DBADRM CC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000946326255 678509993 /nfs/dbraw/zinc/50/99/93/678509993.db2.gz BRUFWNLJNZRJGF-ZYHUDNBSSA-N -1 0 322.365 -0.089 20 0 DBADRM Cc1n[nH]cc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032552284 678511521 /nfs/dbraw/zinc/51/15/21/678511521.db2.gz GCZJKZDIOBAWNH-IUCAKERBSA-N -1 0 303.326 -0.359 20 0 DBADRM CC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000946346782 678515951 /nfs/dbraw/zinc/51/59/51/678515951.db2.gz YCWVMUYUNGGJQT-BDAKNGLRSA-N -1 0 309.326 -0.293 20 0 DBADRM C[C@@]1(C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C=CCC1 ZINC000997846592 678522320 /nfs/dbraw/zinc/52/23/20/678522320.db2.gz LTSORXUICXBCEC-CQSZACIVSA-N -1 0 321.337 -0.627 20 0 DBADRM CC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000946409539 678531161 /nfs/dbraw/zinc/53/11/61/678531161.db2.gz ITNKZYUZFBESGQ-CMPLNLGQSA-N -1 0 322.365 -0.089 20 0 DBADRM COCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000998324280 678588823 /nfs/dbraw/zinc/58/88/23/678588823.db2.gz DFQFRXPFENCFJQ-LLVKDONJSA-N -1 0 319.365 -0.250 20 0 DBADRM CC[C@@]1(C)C[C@H]1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000998882603 678652649 /nfs/dbraw/zinc/65/26/49/678652649.db2.gz QUIAVCGDIWMTSP-XPTSAGLGSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](NCc3nnn(C)n3)C2)c1[O-] ZINC000998956310 678660930 /nfs/dbraw/zinc/66/09/30/678660930.db2.gz URFZLXAGOGUMNA-SECBINFHSA-N -1 0 320.357 -0.658 20 0 DBADRM CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC000999031284 678666982 /nfs/dbraw/zinc/66/69/82/678666982.db2.gz WKEHNDJROGBFLK-VGMNWLOBSA-N -1 0 309.326 -0.653 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000999093738 678672493 /nfs/dbraw/zinc/67/24/93/678672493.db2.gz MRFXKICZJRRCPB-SFYZADRCSA-N -1 0 309.326 -0.938 20 0 DBADRM CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001032688472 678696934 /nfs/dbraw/zinc/69/69/34/678696934.db2.gz DVWQZJLLHGDZPG-QWRGUYRKSA-N -1 0 316.365 -0.235 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)C2CC3(CC3)C2)C1 ZINC000999330267 678708266 /nfs/dbraw/zinc/70/82/66/678708266.db2.gz JBEGFVXUXXSUMM-UHFFFAOYSA-N -1 0 321.337 -0.794 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@]34CCOC4)C2)c1[O-] ZINC000999718637 678737869 /nfs/dbraw/zinc/73/78/69/678737869.db2.gz OPEBQZJYRFBWLE-ZUZCIYMTSA-N -1 0 320.349 -0.209 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc(Br)cn1 ZINC000921687372 678751292 /nfs/dbraw/zinc/75/12/92/678751292.db2.gz DBPSIZJBPVJNEU-UHFFFAOYSA-N -1 0 324.156 -0.200 20 0 DBADRM O=C(c1cccnn1)N1CCC[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001000517168 678849452 /nfs/dbraw/zinc/84/94/52/678849452.db2.gz NYEGTZFIBNXGAF-VIFPVBQESA-N -1 0 303.326 -0.305 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2=CCN([C@H](C)C(N)=O)CC2)c1[O-] ZINC001000563181 678852587 /nfs/dbraw/zinc/85/25/87/678852587.db2.gz CQIYEDXBZADKOI-SECBINFHSA-N -1 0 307.354 -0.341 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2=CCN([C@@H](C)C(N)=O)CC2)c1[O-] ZINC001000563184 678852799 /nfs/dbraw/zinc/85/27/99/678852799.db2.gz CQIYEDXBZADKOI-VIFPVBQESA-N -1 0 307.354 -0.341 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(CNC(=O)C2CCCC2)C1 ZINC001000638626 678860223 /nfs/dbraw/zinc/86/02/23/678860223.db2.gz TUAWDSXXBVTQKH-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001000784090 678873558 /nfs/dbraw/zinc/87/35/58/678873558.db2.gz QQNXCKXJNYUHHR-SCZZXKLOSA-N -1 0 320.349 -0.670 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccn[nH]1 ZINC001001212370 678920128 /nfs/dbraw/zinc/92/01/28/678920128.db2.gz FNIMKBHKPNNYLP-UHFFFAOYSA-N -1 0 305.342 -0.125 20 0 DBADRM Cn1nncc1C(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001001364438 678928677 /nfs/dbraw/zinc/92/86/77/678928677.db2.gz YMRHEALDGWCJPA-UHFFFAOYSA-N -1 0 320.357 -0.719 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)[C@H]3CCCO3)C2)c1[O-] ZINC001001457514 678933347 /nfs/dbraw/zinc/93/33/47/678933347.db2.gz ZJYKSNZUGSIVLW-SNVBAGLBSA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)Cc3ncc[nH]3)C2)c1[O-] ZINC001001458997 678933886 /nfs/dbraw/zinc/93/38/86/678933886.db2.gz OPDUQXWPCFHHAS-UHFFFAOYSA-N -1 0 318.337 -0.422 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)C3=COCCO3)C2)c1[O-] ZINC001001452353 678936263 /nfs/dbraw/zinc/93/62/63/678936263.db2.gz DSHVEJURXSREOV-UHFFFAOYSA-N -1 0 322.321 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3nonc3C)C2)c1[O-] ZINC001001451427 678936534 /nfs/dbraw/zinc/93/65/34/678936534.db2.gz JAHRLHPZOLWJMP-UHFFFAOYSA-N -1 0 320.309 -0.383 20 0 DBADRM CC(=O)N1CCC(=O)NCCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001001699276 678948906 /nfs/dbraw/zinc/94/89/06/678948906.db2.gz NGCLFKJQISKKID-UHFFFAOYSA-N -1 0 323.353 -0.766 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ncccn1 ZINC001001957019 678962285 /nfs/dbraw/zinc/96/22/85/678962285.db2.gz LZLUDYPUYMUNLC-UHFFFAOYSA-N -1 0 317.353 -0.058 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cccnn1 ZINC001001961825 678962910 /nfs/dbraw/zinc/96/29/10/678962910.db2.gz AZCMAPWWAPUSSZ-UHFFFAOYSA-N -1 0 317.353 -0.058 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(N)=O)c1[O-] ZINC001002045037 678967035 /nfs/dbraw/zinc/96/70/35/678967035.db2.gz ZMHIOIDAKHEXCL-HLTSFMKQSA-N -1 0 321.337 -0.839 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCCN2C(=O)CC(N)=O)c1[O-] ZINC001002292028 678974979 /nfs/dbraw/zinc/97/49/79/678974979.db2.gz FIIUZOXNMOPLHL-SECBINFHSA-N -1 0 323.353 -0.638 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCO[C@H]1CCOC1 ZINC000921879832 678975166 /nfs/dbraw/zinc/97/51/66/678975166.db2.gz FLWWHROECBPVQR-HUTHGQBESA-N -1 0 300.402 -0.256 20 0 DBADRM Cn1cc(CC(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC001002432743 678981857 /nfs/dbraw/zinc/98/18/57/678981857.db2.gz ADHJFYUXWAPVAB-UHFFFAOYSA-N -1 0 319.369 -0.433 20 0 DBADRM O=C(Cc1cc[nH]n1)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002510231 678985979 /nfs/dbraw/zinc/98/59/79/678985979.db2.gz GVUAWJQOPDKEMC-UHFFFAOYSA-N -1 0 305.342 -0.443 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)NCC(=O)[N-]OC)[C@]12CCCO2 ZINC000921960167 678994778 /nfs/dbraw/zinc/99/47/78/678994778.db2.gz MBQWTUPOVPYNES-OPQQBVKSSA-N -1 0 301.343 -0.310 20 0 DBADRM CC(=O)N1CC(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001002686358 678994978 /nfs/dbraw/zinc/99/49/78/678994978.db2.gz UYDIXOJXRNIDEQ-UHFFFAOYSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1CC1 ZINC001002731915 678999284 /nfs/dbraw/zinc/99/92/84/678999284.db2.gz ZWUZUGVTJIRBIB-VIFPVBQESA-N -1 0 321.337 -0.244 20 0 DBADRM Cc1ncncc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038086844 679018236 /nfs/dbraw/zinc/01/82/36/679018236.db2.gz UELSIUDRCXCOKY-VIFPVBQESA-N -1 0 303.326 -0.387 20 0 DBADRM C[C@]1(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CNC(=O)C1 ZINC001003368361 679035564 /nfs/dbraw/zinc/03/55/64/679035564.db2.gz OWBINUFZWWQPEQ-CQSZACIVSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003390584 679037474 /nfs/dbraw/zinc/03/74/74/679037474.db2.gz CHOCWAQNOALGEH-CBAPKCEASA-N -1 0 321.337 -0.483 20 0 DBADRM O=C(NCC1CN(C(=O)C2=CCCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001003394582 679037555 /nfs/dbraw/zinc/03/75/55/679037555.db2.gz XILBCXWNBQDTQR-UHFFFAOYSA-N -1 0 319.321 -0.419 20 0 DBADRM CC1(CC(=O)N2CC(CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001003390925 679037578 /nfs/dbraw/zinc/03/75/78/679037578.db2.gz HFRIUOZHIGMNBB-UHFFFAOYSA-N -1 0 321.337 -0.339 20 0 DBADRM O=C(CCC1CC1)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003394712 679037854 /nfs/dbraw/zinc/03/78/54/679037854.db2.gz YXZHRAIOYLPZMD-UHFFFAOYSA-N -1 0 321.337 -0.339 20 0 DBADRM Cc1n[nH]cc1C(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001003512720 679044753 /nfs/dbraw/zinc/04/47/53/679044753.db2.gz LSULLPDFJBKCRU-UHFFFAOYSA-N -1 0 318.337 -0.043 20 0 DBADRM Cn1cc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)[nH]c1=O ZINC001003557481 679049939 /nfs/dbraw/zinc/04/99/39/679049939.db2.gz KKWXVCKWXOKTIA-UHFFFAOYSA-N -1 0 321.341 -0.656 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1n[nH]cc1F ZINC001003576421 679052772 /nfs/dbraw/zinc/05/27/72/679052772.db2.gz XLFPIMGJMMRDNR-UHFFFAOYSA-N -1 0 309.305 -0.233 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001014663017 679065401 /nfs/dbraw/zinc/06/54/01/679065401.db2.gz RFAJMRQXZOZFNJ-PSASIEDQSA-N -1 0 323.353 -0.269 20 0 DBADRM Cc1cnc(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001032883063 679072586 /nfs/dbraw/zinc/07/25/86/679072586.db2.gz GHYZRRGPNSJVJI-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM CN(C(=O)c1ccc(=O)[nH]n1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032892399 679073838 /nfs/dbraw/zinc/07/38/38/679073838.db2.gz VCWURPJTIJEANB-QMMMGPOBSA-N -1 0 319.325 -0.648 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3cccnn3)C2)c1[O-] ZINC001003825225 679073902 /nfs/dbraw/zinc/07/39/02/679073902.db2.gz JFRMRVZUPMYBHK-UHFFFAOYSA-N -1 0 316.321 -0.284 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)[C@@H]1C ZINC001014664224 679075915 /nfs/dbraw/zinc/07/59/15/679075915.db2.gz WKQLKSVAKRNMPV-KCJUWKMLSA-N -1 0 308.338 -0.385 20 0 DBADRM Cc1cc(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001032929912 679081827 /nfs/dbraw/zinc/08/18/27/679081827.db2.gz CHKYIQWTWQWPMV-VIFPVBQESA-N -1 0 305.342 -0.112 20 0 DBADRM CN(C(=O)c1cnsn1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032931452 679082461 /nfs/dbraw/zinc/08/24/61/679082461.db2.gz OFMUNFXEXPZSMK-ZETCQYMHSA-N -1 0 309.355 -0.292 20 0 DBADRM Cc1cc(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001032934862 679083177 /nfs/dbraw/zinc/08/31/77/679083177.db2.gz JBUMPGZLSQAYRD-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C(=O)c1ccnn1C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032945753 679084535 /nfs/dbraw/zinc/08/45/35/679084535.db2.gz QRXKZMKBZYPYRP-VIFPVBQESA-N -1 0 305.342 -0.410 20 0 DBADRM NC(=O)CN1CCC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC001003966068 679094239 /nfs/dbraw/zinc/09/42/39/679094239.db2.gz WMLPUQJYDRUZNK-UHFFFAOYSA-N -1 0 319.321 -0.392 20 0 DBADRM Cn1cncc1CC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003970535 679094483 /nfs/dbraw/zinc/09/44/83/679094483.db2.gz JMBUWMPJJMSVTP-UHFFFAOYSA-N -1 0 319.369 -0.433 20 0 DBADRM CN(C(=O)[C@@H]1CCNC(=O)C1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032998892 679095811 /nfs/dbraw/zinc/09/58/11/679095811.db2.gz HCJIBCBJDIJYSV-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CNC(=O)[C@H](C)N1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001033014476 679099877 /nfs/dbraw/zinc/09/98/77/679099877.db2.gz LIIALRFJYKLPPH-VHSXEESVSA-N -1 0 309.370 -0.295 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 ZINC000922504790 679113459 /nfs/dbraw/zinc/11/34/59/679113459.db2.gz DFGRTGVFNVZIHX-GRYCIOLGSA-N -1 0 312.370 -0.390 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21 ZINC000922504791 679113737 /nfs/dbraw/zinc/11/37/37/679113737.db2.gz DFGRTGVFNVZIHX-IJLUTSLNSA-N -1 0 312.370 -0.390 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 ZINC000922504792 679113855 /nfs/dbraw/zinc/11/38/55/679113855.db2.gz DFGRTGVFNVZIHX-QJPTWQEYSA-N -1 0 312.370 -0.390 20 0 DBADRM CCC(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC[C@H]1C ZINC001004267269 679119516 /nfs/dbraw/zinc/11/95/16/679119516.db2.gz NXWKDCNLGOBBNT-MWLCHTKSSA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C=C1CCC1 ZINC001295585882 805573755 /nfs/dbraw/zinc/57/37/55/805573755.db2.gz DULHCVYURKJHFX-MRVPVSSYSA-N -1 0 309.326 -0.580 20 0 DBADRM COc1cc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cnc1Cl ZINC000841782746 805577817 /nfs/dbraw/zinc/57/78/17/805577817.db2.gz BHXWFFLXLGBTRM-SNVBAGLBSA-N -1 0 324.742 -0.143 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)CCOCC)CC1=O ZINC000842304798 805589477 /nfs/dbraw/zinc/58/94/77/805589477.db2.gz LXJVJEVDKUOHNH-SNVBAGLBSA-N -1 0 306.384 -0.273 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)COC)CC1=O ZINC000842310682 805589602 /nfs/dbraw/zinc/58/96/02/805589602.db2.gz LLZOUXYLRNSCDE-NXEZZACHSA-N -1 0 306.384 -0.274 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)CC1=O ZINC000842349872 805590890 /nfs/dbraw/zinc/59/08/90/805590890.db2.gz QCFYSNATKIWWPV-ZJUUUORDSA-N -1 0 306.384 -0.274 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000842357506 805591197 /nfs/dbraw/zinc/59/11/97/805591197.db2.gz BBLUNPGJQYCUNX-QMMMGPOBSA-N -1 0 318.351 -0.994 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)c1cnc(C(=O)[O-])cn1 ZINC000842622062 805594813 /nfs/dbraw/zinc/59/48/13/805594813.db2.gz MXCPHVNBFOCQAM-UHFFFAOYSA-N -1 0 308.323 -0.436 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cnn2c1C[C@@H](C)CC2 ZINC000842713763 805596499 /nfs/dbraw/zinc/59/64/99/805596499.db2.gz DGGLHDOXFJTNSN-QMMMGPOBSA-N -1 0 315.351 -0.302 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCCCCC(=O)[O-])cn1 ZINC000842728497 805598102 /nfs/dbraw/zinc/59/81/02/805598102.db2.gz HNGXNTHSKGDGKA-UHFFFAOYSA-N -1 0 315.351 -0.026 20 0 DBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)(C1)C2 ZINC000842716907 805598162 /nfs/dbraw/zinc/59/81/62/805598162.db2.gz RQMSLUALFIMABQ-HUUUCTMMSA-N -1 0 303.336 -0.435 20 0 DBADRM O=C(Cc1cnn2ccccc12)[N-]S(=O)(=O)N1CCOCC1 ZINC000842722808 805598395 /nfs/dbraw/zinc/59/83/95/805598395.db2.gz OQWMXYFDFSRBJD-UHFFFAOYSA-N -1 0 324.362 -0.430 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnccn1)[C@@H]1CCCN1C(=O)C1CC1 ZINC000842736195 805599113 /nfs/dbraw/zinc/59/91/13/805599113.db2.gz ZAEZWQZQXHNAQU-JTQLQIEISA-N -1 0 324.362 -0.318 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2)S1(=O)=O ZINC000842737359 805599354 /nfs/dbraw/zinc/59/93/54/805599354.db2.gz OEXGUJJRIFNGNU-MRVPVSSYSA-N -1 0 324.405 -0.413 20 0 DBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)[C@@H]3CCCOC3)(C1)C2 ZINC000842756390 805600113 /nfs/dbraw/zinc/60/01/13/805600113.db2.gz GLTUERUYYGDUAW-UHEGKEBESA-N -1 0 317.363 -0.045 20 0 DBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)C[C@@H]3CCCO3)(C1)C2 ZINC000842755974 805600571 /nfs/dbraw/zinc/60/05/71/805600571.db2.gz YDQSFERDVZPPLF-ALXWSUNGSA-N -1 0 317.363 -0.045 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)C23CC(C(=O)OC)(C2)C3)CC1 ZINC000842800901 805601519 /nfs/dbraw/zinc/60/15/19/805601519.db2.gz BAVMVEJXDFAKMS-UHFFFAOYSA-N -1 0 317.363 -0.045 20 0 DBADRM CN(CCNC(=O)[C@@H]1CC=CCC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001296002628 805602102 /nfs/dbraw/zinc/60/21/02/805602102.db2.gz USYKVPWDLGBQMB-SNVBAGLBSA-N -1 0 323.353 -0.380 20 0 DBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)c3cn(C)cn3)(C1)C2 ZINC000842817372 805602940 /nfs/dbraw/zinc/60/29/40/805602940.db2.gz BIQDBOKWVIVXNB-UHFFFAOYSA-N -1 0 313.335 -0.432 20 0 DBADRM Cn1ccc(CCNC(=O)c2cccc(-n3[n-]nnc3=N)c2)n1 ZINC001296071407 805608789 /nfs/dbraw/zinc/60/87/89/805608789.db2.gz AIJRHOUQLHWZQY-UHFFFAOYSA-N -1 0 312.337 -0.219 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)O1 ZINC000843257915 805613539 /nfs/dbraw/zinc/61/35/39/805613539.db2.gz WGXORIANSNMFJW-AEJSXWLSSA-N -1 0 314.338 -0.376 20 0 DBADRM Cn1nccc1CCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000843256517 805613710 /nfs/dbraw/zinc/61/37/10/805613710.db2.gz GQFOZVCPSRECMJ-VHSXEESVSA-N -1 0 308.338 -0.552 20 0 DBADRM CC(=O)OC1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC000843259307 805613753 /nfs/dbraw/zinc/61/37/53/805613753.db2.gz KDWQJDBLNMCBDR-UHFFFAOYSA-N -1 0 300.311 -0.479 20 0 DBADRM CS(=O)(=O)C[C@@H](NC(=O)COCC(=O)[O-])c1ccccc1 ZINC000843330601 805617527 /nfs/dbraw/zinc/61/75/27/805617527.db2.gz PRTLQLIHKJYBTH-LLVKDONJSA-N -1 0 315.347 -0.010 20 0 DBADRM CCOC(=O)[C@@H](CC)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001296322116 805627626 /nfs/dbraw/zinc/62/76/26/805627626.db2.gz QMWFPLGXKWELFW-QMMMGPOBSA-N -1 0 308.356 -0.842 20 0 DBADRM Cc1cccc(C(=O)C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC001296322186 805627718 /nfs/dbraw/zinc/62/77/18/805627718.db2.gz TUJDEYBORNSUFG-UHFFFAOYSA-N -1 0 312.347 -0.240 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[N-]OC)cc1 ZINC000843769605 805633425 /nfs/dbraw/zinc/63/34/25/805633425.db2.gz IUTWKPMHCFVMOP-UHFFFAOYSA-N -1 0 301.324 -0.998 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)ncn2C ZINC000843769047 805633990 /nfs/dbraw/zinc/63/39/90/805633990.db2.gz SRJLAOQSAWFGIY-UHFFFAOYSA-N -1 0 312.351 -0.081 20 0 DBADRM COC(=O)C12CC(C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)(C1)C2 ZINC000843791832 805635656 /nfs/dbraw/zinc/63/56/56/805635656.db2.gz NUIDEUFXCYKOCN-MWBRBAFOSA-N -1 0 307.310 -0.557 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC000843879147 805637905 /nfs/dbraw/zinc/63/79/05/805637905.db2.gz UTQRQZZHPUULNN-PSASIEDQSA-N -1 0 306.326 -0.317 20 0 DBADRM CC1(C)CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H]2COC[C@@H]21 ZINC000843902753 805638086 /nfs/dbraw/zinc/63/80/86/805638086.db2.gz GPNWBDKZFNVJKI-WDEREUQCSA-N -1 0 317.349 -0.045 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)S1(=O)=O ZINC000844155308 805649498 /nfs/dbraw/zinc/64/94/98/805649498.db2.gz MVUNPTZJOJDWKT-JOYOIKCWSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])COCC(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC000844244140 805654260 /nfs/dbraw/zinc/65/42/60/805654260.db2.gz BALIJFPWNLMWIF-UHFFFAOYSA-N -1 0 315.347 -0.181 20 0 DBADRM O=C([O-])COCC(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000844244057 805654438 /nfs/dbraw/zinc/65/44/38/805654438.db2.gz QSUWQTPDXGNUKP-UHFFFAOYSA-N -1 0 313.331 -0.266 20 0 DBADRM NC(=O)[C@@H](CNC(=O)COCC(=O)[O-])Cc1ccc(F)cc1 ZINC000844244181 805654442 /nfs/dbraw/zinc/65/44/42/805654442.db2.gz DQRJSPPYNGIIAI-SNVBAGLBSA-N -1 0 312.297 -0.313 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCCCN1CCCS1(=O)=O ZINC000844245453 805655078 /nfs/dbraw/zinc/65/50/78/805655078.db2.gz KRDYWZNADNCGOZ-SNVBAGLBSA-N -1 0 306.384 -0.115 20 0 DBADRM O=C([O-])COCC(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000844249322 805655647 /nfs/dbraw/zinc/65/56/47/805655647.db2.gz KRJGVSGYIDNJSN-UHFFFAOYSA-N -1 0 306.318 -0.211 20 0 DBADRM CCO[C@H]1C[C@@](NC(=O)COCC(=O)[O-])(C(=O)OC)C1(C)C ZINC000844255088 805656840 /nfs/dbraw/zinc/65/68/40/805656840.db2.gz LABWENSFSGISPM-LKFCYVNXSA-N -1 0 317.338 -0.049 20 0 DBADRM Nc1nc(Cl)ccc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001296952928 805658147 /nfs/dbraw/zinc/65/81/47/805658147.db2.gz FIGKAPHLYNVBIZ-UHFFFAOYSA-N -1 0 323.744 -0.046 20 0 DBADRM O=C(CN1C(=O)CCC1=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001297019541 805661728 /nfs/dbraw/zinc/66/17/28/805661728.db2.gz OYFLCKYWFYNKSP-MRVPVSSYSA-N -1 0 307.310 -0.635 20 0 DBADRM O=C(CN1C(=O)CCC1=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001297019542 805661860 /nfs/dbraw/zinc/66/18/60/805661860.db2.gz OYFLCKYWFYNKSP-QMMMGPOBSA-N -1 0 307.310 -0.635 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000844546964 805663055 /nfs/dbraw/zinc/66/30/55/805663055.db2.gz CNLFNWVXROPEMF-UHFFFAOYSA-N -1 0 324.341 -0.649 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1ccc(C(N)=O)cc1OC ZINC000844702803 805666563 /nfs/dbraw/zinc/66/65/63/805666563.db2.gz NTZDZGRFMJPKTI-UHFFFAOYSA-N -1 0 310.310 -0.017 20 0 DBADRM CCO[N-]C(=O)CN1C(=O)[C@@H]2C[C@@H](C(=O)OC)CCN2C1=O ZINC000844737167 805669465 /nfs/dbraw/zinc/66/94/65/805669465.db2.gz BFNPEUAFSFZLHV-IUCAKERBSA-N -1 0 313.310 -0.730 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC(OCC(=O)[O-])CC1 ZINC000844793316 805672225 /nfs/dbraw/zinc/67/22/25/805672225.db2.gz MVJLRYXALQWDHM-SECBINFHSA-N -1 0 322.383 -0.642 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])s1 ZINC000844798015 805672248 /nfs/dbraw/zinc/67/22/48/805672248.db2.gz DKCLPRVCOXXXRA-RXMQYKEDSA-N -1 0 311.316 -0.198 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC(OCC(=O)[O-])CC1 ZINC000844793318 805672326 /nfs/dbraw/zinc/67/23/26/805672326.db2.gz MVJLRYXALQWDHM-VIFPVBQESA-N -1 0 322.383 -0.642 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](Cc1ccncn1)C(=O)[O-] ZINC000844806268 805673305 /nfs/dbraw/zinc/67/33/05/805673305.db2.gz VIUWCMHHPGHAJK-GDPRMGEGSA-N -1 0 315.351 -0.431 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC[C@]2(O)CCCOC2)c[nH]1 ZINC000844901324 805674939 /nfs/dbraw/zinc/67/49/39/805674939.db2.gz GTLLDADTGJCAMI-GFCCVEGCSA-N -1 0 318.351 -0.077 20 0 DBADRM C/C=C(\C)C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001297183433 805685614 /nfs/dbraw/zinc/68/56/14/805685614.db2.gz VSTBYGGTNRBBEQ-XVNBXDOJSA-N -1 0 307.310 -0.563 20 0 DBADRM C/C=C(/C)C(=O)NC[C@H](CC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001297384289 805703240 /nfs/dbraw/zinc/70/32/40/805703240.db2.gz ZFBOIVODBQLCSO-OTOXVQDCSA-N -1 0 311.342 -0.334 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1coc(S(C)(=O)=O)c1 ZINC000845460523 805705081 /nfs/dbraw/zinc/70/50/81/805705081.db2.gz DZBBPQGTUSQLON-UHFFFAOYSA-N -1 0 324.380 -0.002 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1coc(S(C)(=O)=O)c1 ZINC000845474529 805705984 /nfs/dbraw/zinc/70/59/84/805705984.db2.gz ASAFPHDNPSBFOH-UHFFFAOYSA-N -1 0 310.353 -0.391 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)C[C@H](C)n1ccnc1 ZINC000845505096 805707064 /nfs/dbraw/zinc/70/70/64/805707064.db2.gz ORXZIKJLILUWHA-VIFPVBQESA-N -1 0 303.340 -0.157 20 0 DBADRM CCn1ccc(CC(=O)[N-]S(=O)(=O)CCOCCOC)n1 ZINC000845492700 805707332 /nfs/dbraw/zinc/70/73/32/805707332.db2.gz WWOVFYRIECGWTE-UHFFFAOYSA-N -1 0 319.383 -0.446 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@H](OC)C(F)(F)F ZINC000845512959 805708799 /nfs/dbraw/zinc/70/87/99/805708799.db2.gz HNSJFEMVEUADSC-WDSKDSINSA-N -1 0 321.273 -0.039 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@@H](OC(=O)N(C)C)C1 ZINC000845530438 805709309 /nfs/dbraw/zinc/70/93/09/805709309.db2.gz NADWEHKHKFTHNM-SECBINFHSA-N -1 0 302.331 -0.464 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC1CCN(C(=O)OC)CC1 ZINC000845531130 805709755 /nfs/dbraw/zinc/70/97/55/805709755.db2.gz BSIIRKGPPONRCJ-UHFFFAOYSA-N -1 0 316.358 -0.168 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(OC(=O)N(C)C)CC1 ZINC000845531846 805709874 /nfs/dbraw/zinc/70/98/74/805709874.db2.gz IHRKEOXIGYVLDQ-UHFFFAOYSA-N -1 0 316.358 -0.074 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O ZINC000845542683 805712955 /nfs/dbraw/zinc/71/29/55/805712955.db2.gz WBSVBQQYROELEE-UWVGGRQHSA-N -1 0 300.359 -0.213 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCS(=O)(=O)CC1CC1 ZINC000845541425 805713001 /nfs/dbraw/zinc/71/30/01/805713001.db2.gz HJLASLQYDJBEKZ-UHFFFAOYSA-N -1 0 307.372 -0.822 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000845534975 805710574 /nfs/dbraw/zinc/71/05/74/805710574.db2.gz KDVVAWBIWFQEAB-JTQLQIEISA-N -1 0 308.342 -0.260 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000845534638 805710612 /nfs/dbraw/zinc/71/06/12/805710612.db2.gz HBADMQWZKQOQIF-RKDXNWHRSA-N -1 0 303.315 -0.974 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000845533739 805710666 /nfs/dbraw/zinc/71/06/66/805710666.db2.gz AGNSNCSBTNBKFJ-ZWNOBZJWSA-N -1 0 301.343 -0.357 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000845535865 805710732 /nfs/dbraw/zinc/71/07/32/805710732.db2.gz UMRKWUDBMXVGMU-NEPJUHHUSA-N -1 0 314.386 -0.441 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000845534109 805710799 /nfs/dbraw/zinc/71/07/99/805710799.db2.gz KEHXLYSCWKRBFP-SNVBAGLBSA-N -1 0 315.374 -0.501 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(NC(=O)NC)CC1 ZINC000845533134 805710925 /nfs/dbraw/zinc/71/09/25/805710925.db2.gz BXYLUADSNPTKCT-UHFFFAOYSA-N -1 0 301.347 -0.843 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000845534107 805711010 /nfs/dbraw/zinc/71/10/10/805711010.db2.gz KEHXLYSCWKRBFP-JTQLQIEISA-N -1 0 315.374 -0.501 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@]1(CO)C[C@H](OCC)C1(C)C ZINC000845536493 805711248 /nfs/dbraw/zinc/71/12/48/805711248.db2.gz AJXNCFXOQGMFEL-HZMBPMFUSA-N -1 0 317.386 -0.081 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@@H](C(=O)OCC)C1 ZINC000845544319 805713064 /nfs/dbraw/zinc/71/30/64/805713064.db2.gz KMDGBYOUECBEHF-SECBINFHSA-N -1 0 303.315 -0.972 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCOC[C@@H]1OCCOC ZINC000845537532 805711915 /nfs/dbraw/zinc/71/19/15/805711915.db2.gz KGPQCUBMJBBEPR-MNOVXSKESA-N -1 0 319.358 -0.826 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 ZINC000845537762 805711942 /nfs/dbraw/zinc/71/19/42/805711942.db2.gz YXIAJLDEEABAOM-WDEREUQCSA-N -1 0 313.354 -0.105 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@@H](COC(C)C)C1 ZINC000845539035 805712018 /nfs/dbraw/zinc/71/20/18/805712018.db2.gz ALJITXWASWFBJU-LLVKDONJSA-N -1 0 303.359 -0.111 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC1CCN(C(=O)OC)CC1 ZINC000845538948 805712285 /nfs/dbraw/zinc/71/22/85/805712285.db2.gz SLBJZMSJRAJEBN-UHFFFAOYSA-N -1 0 302.331 -0.416 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@@]1(O)C[C@H](OCC)C1(C)C ZINC000845537946 805712475 /nfs/dbraw/zinc/71/24/75/805712475.db2.gz JGBAWKXOCKNNQD-HZMBPMFUSA-N -1 0 317.386 -0.081 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(CCS(C)(=O)=O)C(C)C ZINC000845541726 805713438 /nfs/dbraw/zinc/71/34/38/805713438.db2.gz ZKFPOUCNQTUJNC-UHFFFAOYSA-N -1 0 309.388 -0.481 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000845541648 805713479 /nfs/dbraw/zinc/71/34/79/805713479.db2.gz OWQGSAJQHQJFOK-SECBINFHSA-N -1 0 300.315 -0.710 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCC[C@@H]1C1OCCO1 ZINC000845546599 805713978 /nfs/dbraw/zinc/71/39/78/805713978.db2.gz WKDUHKPUEREPCF-SNVBAGLBSA-N -1 0 301.343 -0.009 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCN(C)CC(F)(F)F ZINC000845545895 805714054 /nfs/dbraw/zinc/71/40/54/805714054.db2.gz MDOQPBMMFDZQAI-UHFFFAOYSA-N -1 0 300.281 -0.153 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000845546324 805714235 /nfs/dbraw/zinc/71/42/35/805714235.db2.gz QWGBJLJBAGMQCL-IUCAKERBSA-N -1 0 309.388 -0.483 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000845548668 805714300 /nfs/dbraw/zinc/71/43/00/805714300.db2.gz LNMAZIXZFPAEMX-CYBMUJFWSA-N -1 0 320.349 -0.063 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](NC(=O)OCC)C1 ZINC000845550380 805715615 /nfs/dbraw/zinc/71/56/15/805715615.db2.gz FWYXCBAUBGEGDH-SNVBAGLBSA-N -1 0 316.358 -0.026 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1cccc(C(=O)NC)c1 ZINC000845549104 805716030 /nfs/dbraw/zinc/71/60/30/805716030.db2.gz DEQYLGXVDXQQFK-UHFFFAOYSA-N -1 0 308.338 -0.087 20 0 DBADRM CC(C)=CC(=O)NC[C@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001297685095 805721481 /nfs/dbraw/zinc/72/14/81/805721481.db2.gz GMECTNHDHGRBGM-SNVBAGLBSA-N -1 0 323.353 -0.237 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000846001686 805739247 /nfs/dbraw/zinc/73/92/47/805739247.db2.gz FEQMCNRAFRIDJY-UHFFFAOYSA-N -1 0 322.364 -0.119 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cn(CC(C)C)cn1 ZINC000846003766 805739999 /nfs/dbraw/zinc/73/99/99/805739999.db2.gz NJTOPJVHLVKKMZ-UHFFFAOYSA-N -1 0 304.372 -0.115 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc(C(=O)OC)n(C)c1 ZINC000846003431 805740214 /nfs/dbraw/zinc/74/02/14/805740214.db2.gz AQRNHHQDHSFHRO-UHFFFAOYSA-N -1 0 319.339 -0.842 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cccc2nonc21 ZINC000846003808 805740348 /nfs/dbraw/zinc/74/03/48/805740348.db2.gz PEGVUKXBVOCHOF-UHFFFAOYSA-N -1 0 300.296 -0.431 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C)cnc1OC ZINC000846130489 805744311 /nfs/dbraw/zinc/74/43/11/805744311.db2.gz DONQJIMPQOXWHR-UHFFFAOYSA-N -1 0 310.310 -0.479 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccnc1OCC ZINC000846131358 805745208 /nfs/dbraw/zinc/74/52/08/805745208.db2.gz QQUITRWXFVRUIE-UHFFFAOYSA-N -1 0 310.310 -0.397 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000846133350 805745250 /nfs/dbraw/zinc/74/52/50/805745250.db2.gz QNTVPAVEJXYVGS-UHFFFAOYSA-N -1 0 319.321 -0.235 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1c(C)nn(CC)c1C ZINC000846133325 805745474 /nfs/dbraw/zinc/74/54/74/805745474.db2.gz PJZOCLSGYCLWDM-UHFFFAOYSA-N -1 0 311.342 -0.358 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000846131940 805745506 /nfs/dbraw/zinc/74/55/06/805745506.db2.gz OFUIFPDWWHMTRH-UHFFFAOYSA-N -1 0 322.321 -0.233 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(OC(C)C)nc1 ZINC000846131391 805745638 /nfs/dbraw/zinc/74/56/38/805745638.db2.gz RHJGBJBHVABNCN-UHFFFAOYSA-N -1 0 324.337 -0.009 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc2c1CCO2 ZINC000846132475 805745678 /nfs/dbraw/zinc/74/56/78/805745678.db2.gz FECXGKBYKFHTNY-UHFFFAOYSA-N -1 0 307.306 -0.256 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCc2c1cccc2F ZINC000846132780 805745693 /nfs/dbraw/zinc/74/56/93/805745693.db2.gz COIDDTXFZDNPOU-UHFFFAOYSA-N -1 0 309.297 -0.101 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000846491594 805756725 /nfs/dbraw/zinc/75/67/25/805756725.db2.gz QNAHIMMVPNQRMA-QMMMGPOBSA-N -1 0 313.276 -0.567 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C1(C(=O)OCC)CCOCC1 ZINC000846490174 805756921 /nfs/dbraw/zinc/75/69/21/805756921.db2.gz GJDGWXCZQPZSLB-UHFFFAOYSA-N -1 0 302.327 -0.470 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cc1ccccc1S(C)(=O)=O ZINC000846490136 805757320 /nfs/dbraw/zinc/75/73/20/805757320.db2.gz FXAXVYZGYYTIDB-UHFFFAOYSA-N -1 0 314.363 -0.184 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000846497745 805757978 /nfs/dbraw/zinc/75/79/78/805757978.db2.gz YXOJLIUPCWASHJ-PELKAZGASA-N -1 0 301.368 -0.376 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1csc(S(C)(=O)=O)c1 ZINC000846494470 805758127 /nfs/dbraw/zinc/75/81/27/805758127.db2.gz UEXYWJVTLYCDHO-UHFFFAOYSA-N -1 0 306.365 -0.051 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000846497135 805758375 /nfs/dbraw/zinc/75/83/75/805758375.db2.gz VMJZYQKTKNIKIK-UHFFFAOYSA-N -1 0 321.337 -0.222 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000846498448 805758997 /nfs/dbraw/zinc/75/89/97/805758997.db2.gz XOAHTDFBSMSCLP-SSDOTTSWSA-N -1 0 314.371 -0.328 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 ZINC000846498158 805759217 /nfs/dbraw/zinc/75/92/17/805759217.db2.gz JVMSXDJUEWPZBG-CYBMUJFWSA-N -1 0 321.333 -0.016 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CCn1cnc2ccccc2c1=O ZINC000846498569 805759273 /nfs/dbraw/zinc/75/92/73/805759273.db2.gz JWEZBOMSWLPNQJ-UHFFFAOYSA-N -1 0 318.333 -0.030 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000846713494 805771977 /nfs/dbraw/zinc/77/19/77/805771977.db2.gz GLDRIUDCAGVGEN-FGEFZZPRSA-N -1 0 309.322 -0.581 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc(N(C)C)cn1 ZINC000847681315 805812026 /nfs/dbraw/zinc/81/20/26/805812026.db2.gz XGXJKJOIAVDQAI-ZETCQYMHSA-N -1 0 316.339 -0.836 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000847645063 805810887 /nfs/dbraw/zinc/81/08/87/805810887.db2.gz LULXJTOCUKDSBD-UHFFFAOYSA-N -1 0 312.413 -0.486 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc2c(n1)OCCO2 ZINC000847644815 805810937 /nfs/dbraw/zinc/81/09/37/805810937.db2.gz RXMNBIBXOLDJKF-UHFFFAOYSA-N -1 0 316.335 -0.051 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cnc(N(C)C)cn1 ZINC000847693865 805812930 /nfs/dbraw/zinc/81/29/30/805812930.db2.gz ACVBDTSKODYOJX-MRVPVSSYSA-N -1 0 302.356 -0.363 20 0 DBADRM CN(C)c1cnc(C(=O)[N-]S(=O)(=O)c2cn(C)cn2)cn1 ZINC000847729233 805813486 /nfs/dbraw/zinc/81/34/86/805813486.db2.gz SMAOWQAQNFNTCV-UHFFFAOYSA-N -1 0 310.339 -0.605 20 0 DBADRM Cc1nc(S(=O)(=O)[N-]C(=O)c2cnc(N(C)C)cn2)cn1C ZINC000847729621 805813816 /nfs/dbraw/zinc/81/38/16/805813816.db2.gz XZGUPIZXICPOLW-UHFFFAOYSA-N -1 0 324.366 -0.297 20 0 DBADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)no1 ZINC000847844591 805816216 /nfs/dbraw/zinc/81/62/16/805816216.db2.gz ZAVHDVUQJRJMCZ-UHFFFAOYSA-N -1 0 314.323 -0.258 20 0 DBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)CN2CCCCC2=O)cn1 ZINC000847847727 805816563 /nfs/dbraw/zinc/81/65/63/805816563.db2.gz RWDALGMZXNAJNB-UHFFFAOYSA-N -1 0 314.367 -0.621 20 0 DBADRM CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)O1 ZINC000847995852 805818919 /nfs/dbraw/zinc/81/89/19/805818919.db2.gz HURWXEHJKQUYMW-XPUUQOCRSA-N -1 0 317.323 -0.464 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)C(C)C ZINC000847998354 805820073 /nfs/dbraw/zinc/82/00/73/805820073.db2.gz SYUMMDPLLLYOCM-QMMMGPOBSA-N -1 0 305.312 -0.751 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C(=O)O1 ZINC000848078972 805825154 /nfs/dbraw/zinc/82/51/54/805825154.db2.gz YJWYFKTXTDCAIW-YLWLKBPMSA-N -1 0 304.262 -0.130 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])C2CCC2)nc1 ZINC000848454667 805838041 /nfs/dbraw/zinc/83/80/41/805838041.db2.gz SAZNXDUPELGOHZ-UHFFFAOYSA-N -1 0 313.335 -0.192 20 0 DBADRM CC(C)[C@@H](CNC(=O)NC[C@@H]1CC(C(N)=O)=NO1)C(=O)[O-] ZINC000848582468 805840679 /nfs/dbraw/zinc/84/06/79/805840679.db2.gz MGHVJNQRJXCWRC-JGVFFNPUSA-N -1 0 300.315 -0.727 20 0 DBADRM CC(C)[C@H](CNC(=O)NCCOCCS(C)(=O)=O)C(=O)[O-] ZINC000848579451 805841658 /nfs/dbraw/zinc/84/16/58/805841658.db2.gz CSIHTPDEDYWLJP-JTQLQIEISA-N -1 0 324.399 -0.296 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000848607968 805842426 /nfs/dbraw/zinc/84/24/26/805842426.db2.gz MYPWAXDPIWGGTK-RKDXNWHRSA-N -1 0 315.326 -0.830 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)C(=O)[O-] ZINC000848608102 805842435 /nfs/dbraw/zinc/84/24/35/805842435.db2.gz QGSLQBCHZMXGMA-QMMMGPOBSA-N -1 0 322.383 -0.847 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NC1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000848606868 805842477 /nfs/dbraw/zinc/84/24/77/805842477.db2.gz KYDMIAWAYHSFPU-VIFPVBQESA-N -1 0 314.338 -0.375 20 0 DBADRM C[C@H](CNC(=O)C(=O)NC[C@@H]1CSCCS1)C(=O)[O-] ZINC000848611878 805842997 /nfs/dbraw/zinc/84/29/97/805842997.db2.gz SLSZVJAQTYZIGI-HTQZYQBOSA-N -1 0 306.409 -0.212 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(F)F)C1)C(=O)[O-] ZINC000848611085 805843008 /nfs/dbraw/zinc/84/30/08/805843008.db2.gz YTZSTJFJMDQBRQ-DTWKUNHWSA-N -1 0 322.308 -0.048 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCO[C@H](C(F)F)C1)C(=O)[O-] ZINC000848611087 805843194 /nfs/dbraw/zinc/84/31/94/805843194.db2.gz YTZSTJFJMDQBRQ-IUCAKERBSA-N -1 0 322.308 -0.048 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)Cc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000848609245 805843215 /nfs/dbraw/zinc/84/32/15/805843215.db2.gz KLCCSEYJJYWDRF-SECBINFHSA-N -1 0 321.333 -0.419 20 0 DBADRM Cc1noc(C2CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C2)n1 ZINC000848612403 805843235 /nfs/dbraw/zinc/84/32/35/805843235.db2.gz MTDMMYRRVNVCSP-SNVBAGLBSA-N -1 0 324.337 -0.223 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(F)F)C1)C(=O)[O-] ZINC000848611082 805843280 /nfs/dbraw/zinc/84/32/80/805843280.db2.gz YTZSTJFJMDQBRQ-BDAKNGLRSA-N -1 0 322.308 -0.048 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(F)F)C1)C(=O)[O-] ZINC000848611089 805843307 /nfs/dbraw/zinc/84/33/07/805843307.db2.gz YTZSTJFJMDQBRQ-RKDXNWHRSA-N -1 0 322.308 -0.048 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000849332183 805862954 /nfs/dbraw/zinc/86/29/54/805862954.db2.gz IWRATZGFMDUKTC-WDEREUQCSA-N -1 0 315.351 -0.187 20 0 DBADRM COC(=O)CN1CCN(S(=O)(=O)c2ccccc2[O-])CC1 ZINC000849388165 805866293 /nfs/dbraw/zinc/86/62/93/805866293.db2.gz PMGMYSIEVOPSSY-UHFFFAOYSA-N -1 0 314.363 -0.129 20 0 DBADRM CC/C=C(/C)C(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001299389063 805884044 /nfs/dbraw/zinc/88/40/44/805884044.db2.gz MYYLWLDBSRRMQV-UITAMQMPSA-N -1 0 323.353 -0.285 20 0 DBADRM COC(=O)c1sc(C)cc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000850434566 805890654 /nfs/dbraw/zinc/89/06/54/805890654.db2.gz VJAGBCKMOYIULW-UHFFFAOYSA-N -1 0 315.307 -0.685 20 0 DBADRM CN(C)C(=O)OCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000850793950 805901708 /nfs/dbraw/zinc/90/17/08/805901708.db2.gz HEYWZXRHNYWLKG-UHFFFAOYSA-N -1 0 324.293 -0.467 20 0 DBADRM COC(=O)N(C)CCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000850797177 805901748 /nfs/dbraw/zinc/90/17/48/805901748.db2.gz XKRMWTIQEOVVHW-UHFFFAOYSA-N -1 0 324.293 -0.467 20 0 DBADRM COCCCOCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000850741451 805902105 /nfs/dbraw/zinc/90/21/05/805902105.db2.gz PRCZYTFHPXUVOC-UHFFFAOYSA-N -1 0 305.356 -0.332 20 0 DBADRM Cn1cc(CCC(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)nn1 ZINC000850811120 805903819 /nfs/dbraw/zinc/90/38/19/805903819.db2.gz VOWLGBBOJFSLEK-LLVKDONJSA-N -1 0 316.383 -0.237 20 0 DBADRM CN(OCC(F)(F)F)C(=O)CNC(=O)c1c[n-]ncc1=O ZINC001301101837 805904176 /nfs/dbraw/zinc/90/41/76/805904176.db2.gz MXNXSEWXQMIJLH-UHFFFAOYSA-N -1 0 308.216 -0.136 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000850843866 805904254 /nfs/dbraw/zinc/90/42/54/805904254.db2.gz QRRGIMXCQFGAFR-JTQLQIEISA-N -1 0 317.367 -0.879 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000850842604 805904733 /nfs/dbraw/zinc/90/47/33/805904733.db2.gz MNKYXDTXESGJQT-SSDOTTSWSA-N -1 0 305.360 -0.477 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)C1CCN(C(=O)OC)CC1 ZINC000850834934 805904752 /nfs/dbraw/zinc/90/47/52/805904752.db2.gz OKXDYSIHNZBCDA-UHFFFAOYSA-N -1 0 308.356 -0.443 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000850842603 805904865 /nfs/dbraw/zinc/90/48/65/805904865.db2.gz MLLUITHQDVVGEC-QMMMGPOBSA-N -1 0 319.387 -0.549 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)CC1(n2cnnn2)CCOCC1 ZINC000850853679 805905544 /nfs/dbraw/zinc/90/55/44/805905544.db2.gz VNSFWWZWVAKXRT-UHFFFAOYSA-N -1 0 317.371 -0.575 20 0 DBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)c2ccccn2)n1 ZINC000850848748 805905900 /nfs/dbraw/zinc/90/59/00/805905900.db2.gz YMALUHGMYYLWDQ-UHFFFAOYSA-N -1 0 310.339 -0.058 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)C1CCCC1 ZINC000850861701 805905922 /nfs/dbraw/zinc/90/59/22/805905922.db2.gz AHAMFHJJKYBSGA-NSHDSACASA-N -1 0 306.384 -0.115 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc2n1CCC2 ZINC000850944036 805909629 /nfs/dbraw/zinc/90/96/29/805909629.db2.gz XPWOTVIBKJLUQI-ZETCQYMHSA-N -1 0 301.324 -0.550 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cnc2n1CCOC2 ZINC000850888862 805906312 /nfs/dbraw/zinc/90/63/12/805906312.db2.gz UNOVPBMCLRRTMS-UHFFFAOYSA-N -1 0 302.356 -0.270 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000850942874 805909646 /nfs/dbraw/zinc/90/96/46/805909646.db2.gz MEBBVUHREYBGDO-ZCFIWIBFSA-N -1 0 319.343 -0.951 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1c(C2CC2)cnn1C ZINC000850941941 805907916 /nfs/dbraw/zinc/90/79/16/805907916.db2.gz AKHWASRZZNUJLO-SSDOTTSWSA-N -1 0 315.351 -0.081 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(N2CCCC2)c1 ZINC000850941160 805908021 /nfs/dbraw/zinc/90/80/21/805908021.db2.gz XRYBEGCDGQUCCA-UHFFFAOYSA-N -1 0 311.363 -0.168 20 0 DBADRM COc1cccc([C@@H](OC)C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000850940760 805908170 /nfs/dbraw/zinc/90/81/70/805908170.db2.gz ROOYDYHTGJLONR-LLVKDONJSA-N -1 0 316.335 -0.686 20 0 DBADRM Cn1ncc2cc(C(=O)N3CCOC[C@H]3c3nnn[n-]3)cnc21 ZINC001302136254 805908084 /nfs/dbraw/zinc/90/80/84/805908084.db2.gz CMNAFNFJHOTLCQ-JTQLQIEISA-N -1 0 314.309 -0.305 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnn(CC(F)F)c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850969216 805909080 /nfs/dbraw/zinc/90/90/80/805909080.db2.gz OJMUMCMMKRUAFI-MBTKJCJQSA-N -1 0 321.305 -0.155 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000850989440 805910566 /nfs/dbraw/zinc/91/05/66/805910566.db2.gz BEXHWPWNUADOHP-MRVPVSSYSA-N -1 0 319.387 -0.549 20 0 DBADRM O=C([N-]S(=O)(=O)C1CCC1)C1(n2cnnn2)CCOCC1 ZINC000850989399 805910764 /nfs/dbraw/zinc/91/07/64/805910764.db2.gz NFWDSZRZVHTFTA-UHFFFAOYSA-N -1 0 315.355 -0.823 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)[N-]S(=O)(=O)C2CCC2)n1 ZINC000850988720 805910902 /nfs/dbraw/zinc/91/09/02/805910902.db2.gz CWLNHYXORHXQAE-UHFFFAOYSA-N -1 0 301.372 -0.031 20 0 DBADRM Cc1nc(S(=O)(=O)[N-]C(=O)c2cnc3n2CCC3)cn1C ZINC000851083531 805912680 /nfs/dbraw/zinc/91/26/80/805912680.db2.gz MSQJBCYKDGEKBC-UHFFFAOYSA-N -1 0 309.351 -0.010 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cccn1C)[C@H]1CCOC1 ZINC000851082323 805913096 /nfs/dbraw/zinc/91/30/96/805913096.db2.gz FCUFMMLQMHONKH-ONGXEEELSA-N -1 0 302.352 -0.119 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC000851198867 805914203 /nfs/dbraw/zinc/91/42/03/805914203.db2.gz FQVYUSBWBLYGPE-UHFFFAOYSA-N -1 0 302.327 -0.050 20 0 DBADRM O=C([N-]S(=O)(=O)CC(F)F)[C@]12CCC(=O)N1CCS2 ZINC000851359638 805914583 /nfs/dbraw/zinc/91/45/83/805914583.db2.gz VGUBIVFNSXIYHI-SECBINFHSA-N -1 0 314.335 -0.237 20 0 DBADRM CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)C(COC)COC ZINC000851500991 805917852 /nfs/dbraw/zinc/91/78/52/805917852.db2.gz ZXYCTPCZRXIWPB-UHFFFAOYSA-N -1 0 319.383 -0.068 20 0 DBADRM CCOCC1(C(=O)[N-]S(=O)(=O)C(COC)COC)CC1 ZINC000851501675 805918698 /nfs/dbraw/zinc/91/86/98/805918698.db2.gz DUHUNALJWSFBOW-UHFFFAOYSA-N -1 0 309.384 -0.090 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cnc(C)nc1C ZINC000851501671 805918905 /nfs/dbraw/zinc/91/89/05/805918905.db2.gz AXDYBBLCRPZWNR-UHFFFAOYSA-N -1 0 317.367 -0.186 20 0 DBADRM CCn1cc(CC(=O)[N-]S(=O)(=O)C(COC)COC)cn1 ZINC000851501939 805918939 /nfs/dbraw/zinc/91/89/39/805918939.db2.gz JGZROPISHWOLDF-UHFFFAOYSA-N -1 0 319.383 -0.447 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cc1ccc(F)cn1 ZINC000851502056 805918949 /nfs/dbraw/zinc/91/89/49/805918949.db2.gz LERLNYCETSXEJF-UHFFFAOYSA-N -1 0 320.342 -0.129 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CC[C@@H]1CCOC1 ZINC000851501264 805918955 /nfs/dbraw/zinc/91/89/55/805918955.db2.gz OQSWSLHOMJYGKO-SNVBAGLBSA-N -1 0 309.384 -0.090 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](OC)C1 ZINC000851504558 805919300 /nfs/dbraw/zinc/91/93/00/805919300.db2.gz YMJBQBFWMLNYQY-NXEZZACHSA-N -1 0 309.384 -0.091 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cn(C(C)C)nn1 ZINC000851503592 805919411 /nfs/dbraw/zinc/91/94/11/805919411.db2.gz GCLLCTGUFHNCOQ-UHFFFAOYSA-N -1 0 320.371 -0.420 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCC2 ZINC000851503625 805919645 /nfs/dbraw/zinc/91/96/45/805919645.db2.gz HHKBKLZTARVJJN-UHFFFAOYSA-N -1 0 317.367 -0.450 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](OC)C1 ZINC000851504560 805919733 /nfs/dbraw/zinc/91/97/33/805919733.db2.gz YMJBQBFWMLNYQY-VHSXEESVSA-N -1 0 309.384 -0.091 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000851503615 805919751 /nfs/dbraw/zinc/91/97/51/805919751.db2.gz HABNBGSBBZVZIX-IEBDPFPHSA-N -1 0 307.368 -0.339 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ncccc1F ZINC000851504249 805919800 /nfs/dbraw/zinc/91/98/00/805919800.db2.gz SKGAODXJIVUFBD-UHFFFAOYSA-N -1 0 306.315 -0.058 20 0 DBADRM CCn1ccc(CC(=O)[N-]S(=O)(=O)C(COC)COC)n1 ZINC000851504573 805919932 /nfs/dbraw/zinc/91/99/32/805919932.db2.gz YZAMRXQLYJELDG-UHFFFAOYSA-N -1 0 319.383 -0.447 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CC1(n2cnnn2)CCOCC1 ZINC000851606437 805920838 /nfs/dbraw/zinc/92/08/38/805920838.db2.gz PANCITMIIVRPHP-MNOVXSKESA-N -1 0 323.353 -0.110 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2nnn(C(C)(C)C)n2)C1 ZINC000851607385 805921024 /nfs/dbraw/zinc/92/10/24/805921024.db2.gz MORYFSJHSKKSKE-CYBMUJFWSA-N -1 0 311.342 -0.009 20 0 DBADRM CO[N-]C(=O)CNC(=O)CSCC(=O)Nc1cc(C)on1 ZINC001304256597 805921358 /nfs/dbraw/zinc/92/13/58/805921358.db2.gz AMSUVQLUQYBDKO-UHFFFAOYSA-N -1 0 316.339 -0.551 20 0 DBADRM COC(=O)N(C)CCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000851650745 805921987 /nfs/dbraw/zinc/92/19/87/805921987.db2.gz DBXOXTIDQCSFRL-UHFFFAOYSA-N -1 0 317.342 -0.135 20 0 DBADRM COC(=O)N1CC(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000851650370 805922334 /nfs/dbraw/zinc/92/23/34/805922334.db2.gz GNGABISLNAWYHG-AMIZOPFISA-N -1 0 313.310 -0.820 20 0 DBADRM COC(=O)N(C)CCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000851652784 805923698 /nfs/dbraw/zinc/92/36/98/805923698.db2.gz YTGDEAZDXPBKQK-NOZJJQNGSA-N -1 0 315.326 -0.573 20 0 DBADRM COC(=O)/C=C/[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001305797290 805924449 /nfs/dbraw/zinc/92/44/49/805924449.db2.gz IFONGWYJQAOWKG-MPJRPATESA-N -1 0 305.294 -0.695 20 0 DBADRM CCN1CC[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1=O ZINC000851680304 805924737 /nfs/dbraw/zinc/92/47/37/805924737.db2.gz GEFDCZBVDIGBPX-SECBINFHSA-N -1 0 311.338 -0.906 20 0 DBADRM COCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851701565 805930656 /nfs/dbraw/zinc/93/06/56/805930656.db2.gz WGKBXCIWAAXSJR-XPUUQOCRSA-N -1 0 312.244 -0.245 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1CCC(=O)NC1=O ZINC001309330327 805935811 /nfs/dbraw/zinc/93/58/11/805935811.db2.gz LQZZRVYBXCPAIW-ZETCQYMHSA-N -1 0 311.385 -0.866 20 0 DBADRM CON(C)C(=O)C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC001309596880 805938393 /nfs/dbraw/zinc/93/83/93/805938393.db2.gz PFAMZECLTPJRTI-SFHVURJKSA-N -1 0 315.417 -0.263 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1cc(S(C)(=O)=O)ccn1 ZINC001311077401 805945116 /nfs/dbraw/zinc/94/51/16/805945116.db2.gz IORSHKRXPHZKQR-UHFFFAOYSA-N -1 0 302.312 -0.716 20 0 DBADRM CCOC(=O)c1cn(CC)nc1NC(=O)NCC(=O)[N-]OC ZINC001311314359 805946692 /nfs/dbraw/zinc/94/66/92/805946692.db2.gz UTUJVABGPFDIND-UHFFFAOYSA-N -1 0 313.314 -0.121 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1ccccc1Cn1cncn1 ZINC001312586462 805952744 /nfs/dbraw/zinc/95/27/44/805952744.db2.gz QGWCAGUVZKHRRH-UHFFFAOYSA-N -1 0 318.337 -0.197 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001313360635 805961168 /nfs/dbraw/zinc/96/11/68/805961168.db2.gz DZJJIGBRGSJADE-SECBINFHSA-N -1 0 301.347 -0.891 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CCCc2c1ccc(=O)n2C ZINC001312949668 805958007 /nfs/dbraw/zinc/95/80/07/805958007.db2.gz WWQPMUIUFLWSNL-JTQLQIEISA-N -1 0 308.338 -0.261 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCc2nc(COC)ncc2C1 ZINC001312961423 805958189 /nfs/dbraw/zinc/95/81/89/805958189.db2.gz SASPCLMJVPCQLR-UHFFFAOYSA-N -1 0 323.353 -0.242 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC001313361457 805960921 /nfs/dbraw/zinc/96/09/21/805960921.db2.gz LBVPHLIFOYIQEJ-UHFFFAOYSA-N -1 0 319.383 -0.583 20 0 DBADRM CCNC(=O)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001316780367 805986996 /nfs/dbraw/zinc/98/69/96/805986996.db2.gz BSRHPPBLMVZWDQ-BDAKNGLRSA-N -1 0 310.358 -0.885 20 0 DBADRM COCCN(CCF)C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000852915209 805991427 /nfs/dbraw/zinc/99/14/27/805991427.db2.gz AYGRHAMVKZXBED-UHFFFAOYSA-N -1 0 304.318 -0.246 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC000852945953 805994345 /nfs/dbraw/zinc/99/43/45/805994345.db2.gz KUCCFZFDRQYKRQ-NXEZZACHSA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)[C@@H](C(=O)[O-])C2CC2)n1 ZINC000852947289 805994368 /nfs/dbraw/zinc/99/43/68/805994368.db2.gz IMOKNUCEIUDQCM-JTQLQIEISA-N -1 0 315.351 -0.023 20 0 DBADRM O=C([O-])COCC(=O)Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1 ZINC000852955741 805995321 /nfs/dbraw/zinc/99/53/21/805995321.db2.gz AFOAHDVTCYQZSO-JTQLQIEISA-N -1 0 321.289 -0.003 20 0 DBADRM C[C@@]1(c2ccco2)NC(=O)N([C@@H]2CCN(CC(=O)[O-])C2=O)C1=O ZINC000853003340 805995433 /nfs/dbraw/zinc/99/54/33/805995433.db2.gz IZZCNVCEJBEGIK-CLAHSXSESA-N -1 0 321.289 -0.268 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H](C)OCC1CC1)OC ZINC000853204668 806001150 /nfs/dbraw/zinc/00/11/50/806001150.db2.gz RTRDHBBAYDQCRB-GXSJLCMTSA-N -1 0 309.384 -0.091 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1C)OC ZINC000853202041 806001157 /nfs/dbraw/zinc/00/11/57/806001157.db2.gz LCAXHVSNIYUXLK-JTQLQIEISA-N -1 0 319.383 -0.242 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1C)OC ZINC000853202042 806001210 /nfs/dbraw/zinc/00/12/10/806001210.db2.gz LCAXHVSNIYUXLK-SNVBAGLBSA-N -1 0 319.383 -0.242 20 0 DBADRM NS(=O)(=O)c1cc(CNC(=O)COCC(=O)[O-])ccc1F ZINC000852961015 805995576 /nfs/dbraw/zinc/99/55/76/805995576.db2.gz ZAZJDVOJAAJVMX-UHFFFAOYSA-N -1 0 320.298 -0.810 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cc(C)nn1C)OC ZINC000853203192 806001391 /nfs/dbraw/zinc/00/13/91/806001391.db2.gz FASGOGORRUEBJV-VIFPVBQESA-N -1 0 305.356 -0.550 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CC1CCOCC1)OC ZINC000853204483 806001267 /nfs/dbraw/zinc/00/12/67/806001267.db2.gz YDYLVDMPDOZCSP-LLVKDONJSA-N -1 0 309.384 -0.090 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cc1cscn1 ZINC000853133900 805999269 /nfs/dbraw/zinc/99/92/69/805999269.db2.gz PFWNCBYGVCCGDF-UHFFFAOYSA-N -1 0 308.381 -0.207 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)c1cnn(C)c1)OC ZINC000853204304 806001335 /nfs/dbraw/zinc/00/13/35/806001335.db2.gz WBJGNZMGHNMFFO-GXSJLCMTSA-N -1 0 319.383 -0.369 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C)OC ZINC000853200330 805999749 /nfs/dbraw/zinc/99/97/49/805999749.db2.gz JLJZBTDOVIXAPD-SECBINFHSA-N -1 0 324.399 -0.744 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CC[C@@H]1CCOC1)OC ZINC000853204434 806001342 /nfs/dbraw/zinc/00/13/42/806001342.db2.gz XSTNUVCEZAAVBA-MNOVXSKESA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(OC)nc1)OC ZINC000853200260 806000048 /nfs/dbraw/zinc/00/00/48/806000048.db2.gz IKVXQCKKMXCGPI-JTQLQIEISA-N -1 0 318.351 -0.189 20 0 DBADRM CCc1ncncc1C(=O)[N-]S(=O)(=O)C[C@H](COC)OC ZINC000853200984 806001031 /nfs/dbraw/zinc/00/10/31/806001031.db2.gz ACYMQNVEZIOUTD-VIFPVBQESA-N -1 0 317.367 -0.240 20 0 DBADRM CN(CCCNC(=O)c1cn2c(n1)CCC2)Cc1n[nH]c(=O)[n-]1 ZINC001316823425 805995280 /nfs/dbraw/zinc/99/52/80/805995280.db2.gz CCVBXJRDOIWWQW-UHFFFAOYSA-N -1 0 319.369 -0.095 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C1(C(=O)OC)CC1)OC ZINC000853207143 806001748 /nfs/dbraw/zinc/00/17/48/806001748.db2.gz ZFANJECJJGTLPW-QMMMGPOBSA-N -1 0 309.340 -0.953 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1[C@@H]2CCCO[C@H]12)OC ZINC000853206459 806002023 /nfs/dbraw/zinc/00/20/23/806002023.db2.gz PZROICPVQZOSHX-YTWAJWBKSA-N -1 0 307.368 -0.481 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)c1ccnn1C)OC ZINC000853208117 806002087 /nfs/dbraw/zinc/00/20/87/806002087.db2.gz BEXFWSZDVHERPM-VHSXEESVSA-N -1 0 319.383 -0.369 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)OC)OC ZINC000853206636 806002514 /nfs/dbraw/zinc/00/25/14/806002514.db2.gz QTHAPQVIFKQIES-IUCAKERBSA-N -1 0 311.356 -0.707 20 0 DBADRM COCc1nc(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)co1 ZINC000853206328 806002558 /nfs/dbraw/zinc/00/25/58/806002558.db2.gz PEOKAGFWNRCTRY-MRVPVSSYSA-N -1 0 322.339 -0.458 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@](C)(OC)C1CC1)OC ZINC000853209128 806002726 /nfs/dbraw/zinc/00/27/26/806002726.db2.gz HCSRLQJTSUJFSL-JQWIXIFHSA-N -1 0 309.384 -0.091 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@](C)(OC)C1CC1)OC ZINC000853209129 806003291 /nfs/dbraw/zinc/00/32/91/806003291.db2.gz HCSRLQJTSUJFSL-PWSUYJOCSA-N -1 0 309.384 -0.091 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CC1(COC)CC1)OC ZINC000853208160 806003408 /nfs/dbraw/zinc/00/34/08/806003408.db2.gz CIGHVKVPSWBFDU-JTQLQIEISA-N -1 0 309.384 -0.090 20 0 DBADRM CCn1ccc(CC(=O)[N-]S(=O)(=O)C[C@H](COC)OC)n1 ZINC000853210213 806003771 /nfs/dbraw/zinc/00/37/71/806003771.db2.gz YMUGRUBQWHJCNA-NSHDSACASA-N -1 0 319.383 -0.447 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ncccc1F)OC ZINC000853210524 806003899 /nfs/dbraw/zinc/00/38/99/806003899.db2.gz ADJNMERXQILVFX-MRVPVSSYSA-N -1 0 306.315 -0.058 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](OC)C1)OC ZINC000853211254 806004222 /nfs/dbraw/zinc/00/42/22/806004222.db2.gz RCMBMKIOURJTKO-GARJFASQSA-N -1 0 309.384 -0.091 20 0 DBADRM CCn1ccc(CC(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)n1 ZINC000853210211 806004347 /nfs/dbraw/zinc/00/43/47/806004347.db2.gz YMUGRUBQWHJCNA-LLVKDONJSA-N -1 0 319.383 -0.447 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000854233587 806030744 /nfs/dbraw/zinc/03/07/44/806030744.db2.gz FRFCXGZUPDVIHE-DTWKUNHWSA-N -1 0 312.326 -0.583 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C(=O)O1 ZINC000854471254 806039143 /nfs/dbraw/zinc/03/91/43/806039143.db2.gz UYFZHLLWZJVETB-MUWHJKNJSA-N -1 0 314.319 -0.527 20 0 DBADRM C[C@]1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCOC1=O ZINC000854530575 806041119 /nfs/dbraw/zinc/04/11/19/806041119.db2.gz ZYOVUHORMFSTQF-LBPRGKRZSA-N -1 0 314.319 -0.525 20 0 DBADRM CCn1ncn([N-]C(=O)c2cc(C)nc3c2c(=O)[nH]n3C)c1=O ZINC000854630564 806048008 /nfs/dbraw/zinc/04/80/08/806048008.db2.gz HDGMTYXEQIURNB-UHFFFAOYSA-N -1 0 317.309 -0.256 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CCCN1Cc1ccccn1 ZINC000854612544 806046835 /nfs/dbraw/zinc/04/68/35/806046835.db2.gz IMGLYIBNEMSRMD-JTQLQIEISA-N -1 0 304.310 -0.181 20 0 DBADRM CN(C)c1ncnc2c1cc(C(=O)Nn1c(=O)[n-][nH]c1=O)n2C ZINC000854614061 806046883 /nfs/dbraw/zinc/04/68/83/806046883.db2.gz WZOBHNNJQYYVKK-UHFFFAOYSA-N -1 0 318.297 -0.579 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cncc(N2CCOCC2)c1 ZINC000854614097 806047046 /nfs/dbraw/zinc/04/70/46/806047046.db2.gz XWOSBUJGRZLRLK-UHFFFAOYSA-N -1 0 306.282 -0.695 20 0 DBADRM CCn1ncn([N-]C(=O)c2ccn(CCn3cccn3)n2)c1=O ZINC000854628457 806047868 /nfs/dbraw/zinc/04/78/68/806047868.db2.gz ZCWYIPXHHRYUSB-UHFFFAOYSA-N -1 0 316.325 -0.458 20 0 DBADRM CC(C)(CO)O[N-]C(=O)CNS(=O)(=O)c1cccnc1 ZINC000854754170 806055623 /nfs/dbraw/zinc/05/56/23/806055623.db2.gz PAJSAZINMIPFAK-UHFFFAOYSA-N -1 0 303.340 -0.821 20 0 DBADRM COC(=O)NCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000854885582 806066037 /nfs/dbraw/zinc/06/60/37/806066037.db2.gz UMHKHAUMNMWGJN-UHFFFAOYSA-N -1 0 317.323 -0.875 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CC2(C1)CNC(=O)O2 ZINC000854968108 806068537 /nfs/dbraw/zinc/06/85/37/806068537.db2.gz QIFSZFXYFHBKIJ-UHFFFAOYSA-N -1 0 316.273 -0.036 20 0 DBADRM C[C@@]12COC[C@]1(C)CN(C(=O)Cn1[n-]cc3c(=O)ncnc1-3)C2 ZINC000855543358 806081424 /nfs/dbraw/zinc/08/14/24/806081424.db2.gz WUHWACQAOLWUBH-GASCZTMLSA-N -1 0 317.349 -0.044 20 0 DBADRM CN(C)C(=O)OCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000855652046 806084467 /nfs/dbraw/zinc/08/44/67/806084467.db2.gz YGYBVJRFXYIYNJ-UHFFFAOYSA-N -1 0 321.293 -0.136 20 0 DBADRM C[C@@]12COC[C@@H]1CN(C(=O)Cn1[n-]cc3c(=O)ncnc1-3)C2 ZINC000855840186 806089042 /nfs/dbraw/zinc/08/90/42/806089042.db2.gz XNICAKQFKYQVOM-LKFCYVNXSA-N -1 0 303.322 -0.434 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC1SCCS1 ZINC000856165878 806098134 /nfs/dbraw/zinc/09/81/34/806098134.db2.gz XRBONCBVKREDLE-UHFFFAOYSA-N -1 0 311.392 -0.007 20 0 DBADRM C[C@@H](NC(=O)CC(N)=O)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001317199396 806104648 /nfs/dbraw/zinc/10/46/48/806104648.db2.gz FISDVOCNHKLRMR-RKDXNWHRSA-N -1 0 310.358 -0.898 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCCCC(=O)[O-])C[C@H]1CO ZINC000857100215 806108595 /nfs/dbraw/zinc/10/85/95/806108595.db2.gz ACUTYRZNEYGEDQ-QWRGUYRKSA-N -1 0 300.355 -0.166 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H]1CO ZINC000857364493 806115720 /nfs/dbraw/zinc/11/57/20/806115720.db2.gz JXVMYWNYCCFDHR-UWVGGRQHSA-N -1 0 305.338 -0.452 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1noc2c1COCC2 ZINC000857851787 806128382 /nfs/dbraw/zinc/12/83/82/806128382.db2.gz RLVDSQIONRZKLL-SSDOTTSWSA-N -1 0 304.324 -0.158 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCc2ccnn2C)on1 ZINC000859110118 806175092 /nfs/dbraw/zinc/17/50/92/806175092.db2.gz YMKWISPURDZJBB-UHFFFAOYSA-N -1 0 314.323 -0.284 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@H](C)OC2=O)on1 ZINC000859162350 806176224 /nfs/dbraw/zinc/17/62/24/806176224.db2.gz ZTHXUHBVFBMZBA-FSPLSTOPSA-N -1 0 304.280 -0.557 20 0 DBADRM Cn1nnc(COC(=O)c2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC000859924001 806211110 /nfs/dbraw/zinc/21/11/10/806211110.db2.gz JZDBVJOXJCMSGK-UHFFFAOYSA-N -1 0 312.311 -0.666 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)NC2CC2)cn1 ZINC000859921712 806211266 /nfs/dbraw/zinc/21/12/66/806211266.db2.gz BXICHHCFVSDAGC-UHFFFAOYSA-N -1 0 313.335 -0.112 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@@H]1CNC(=O)c2ccccc21 ZINC000860545553 806235579 /nfs/dbraw/zinc/23/55/79/806235579.db2.gz FEGSJTSKWSNELN-BXKDBHETSA-N -1 0 324.358 -0.252 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCc2ccccc21)[C@@H]1COC(=O)N1 ZINC000860518610 806234246 /nfs/dbraw/zinc/23/42/46/806234246.db2.gz FEILWCDKIZHGPE-VIFPVBQESA-N -1 0 311.319 -0.482 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000860568147 806236369 /nfs/dbraw/zinc/23/63/69/806236369.db2.gz YBMMFIJAKPWAPN-LLVKDONJSA-N -1 0 321.399 -0.770 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000860558308 806236464 /nfs/dbraw/zinc/23/64/64/806236464.db2.gz RIXYEGRBNTVNCZ-UHFFFAOYSA-N -1 0 312.351 -0.061 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)COCC(F)F ZINC000860549384 806236719 /nfs/dbraw/zinc/23/67/19/806236719.db2.gz FCMXZYSLLPGTHR-UHFFFAOYSA-N -1 0 303.283 -0.333 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccnc2ccnn21 ZINC000860569124 806236745 /nfs/dbraw/zinc/23/67/45/806236745.db2.gz IYYLEXGTDYKWJW-UHFFFAOYSA-N -1 0 311.323 -0.964 20 0 DBADRM CCn1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c(C)n1 ZINC000860570530 806236974 /nfs/dbraw/zinc/23/69/74/806236974.db2.gz XPFIKYCMDUKWJH-UHFFFAOYSA-N -1 0 302.356 -0.482 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cn(C2CC2)nn1 ZINC000860599117 806237852 /nfs/dbraw/zinc/23/78/52/806237852.db2.gz WUQDUZGPAZMNMR-UHFFFAOYSA-N -1 0 303.344 -0.834 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC000860599927 806238145 /nfs/dbraw/zinc/23/81/45/806238145.db2.gz YGKCCWBWAGTWHF-DTWKUNHWSA-N -1 0 308.356 -0.590 20 0 DBADRM CCO[C@@H](C(=O)[N-]S(=O)(=O)CCOCCOC)C1CC1 ZINC000860612653 806238855 /nfs/dbraw/zinc/23/88/55/806238855.db2.gz FSLXCSFXFDNKTI-LLVKDONJSA-N -1 0 309.384 -0.090 20 0 DBADRM CCn1cc(C(=O)[N-]S(=O)(=O)CCOCCOC)c(C)n1 ZINC000860613055 806239350 /nfs/dbraw/zinc/23/93/50/806239350.db2.gz RQYOOEVIKHMERT-UHFFFAOYSA-N -1 0 319.383 -0.066 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)O1 ZINC000860632014 806239443 /nfs/dbraw/zinc/23/94/43/806239443.db2.gz PJGJWADYAWTTME-AEJSXWLSSA-N -1 0 321.351 -0.811 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1)C(C)C ZINC000860644739 806240320 /nfs/dbraw/zinc/24/03/20/806240320.db2.gz GWINWINRMDPUDZ-GHMZBOCLSA-N -1 0 306.384 -0.228 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1)C(C)C ZINC000860644740 806240630 /nfs/dbraw/zinc/24/06/30/806240630.db2.gz GWINWINRMDPUDZ-WDEREUQCSA-N -1 0 306.384 -0.228 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1ccnc2ccnn21 ZINC000860644700 806240714 /nfs/dbraw/zinc/24/07/14/806240714.db2.gz FSASNXBRJPRWOS-SECBINFHSA-N -1 0 310.335 -0.032 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1cncc1C ZINC000860666752 806241656 /nfs/dbraw/zinc/24/16/56/806241656.db2.gz UHHCDBPALOVUAR-VHSXEESVSA-N -1 0 317.367 -0.165 20 0 DBADRM CC(C)(C)OCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000860810828 806247774 /nfs/dbraw/zinc/24/77/74/806247774.db2.gz VDYNBSJALVYJTG-BDAKNGLRSA-N -1 0 322.383 -0.720 20 0 DBADRM CC(CO)(CO)NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000860704380 806242498 /nfs/dbraw/zinc/24/24/98/806242498.db2.gz XNHPPNQJDCCGLR-UHFFFAOYSA-N -1 0 324.255 -0.069 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnn(CC2CC2)c1)[C@@H]1COC(=O)N1 ZINC000860685727 806242807 /nfs/dbraw/zinc/24/28/07/806242807.db2.gz YEAPYSUIXNZZEE-VIFPVBQESA-N -1 0 314.323 -0.794 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OC[C@H]2CCNC2=O)cn1 ZINC000860714895 806243604 /nfs/dbraw/zinc/24/36/04/806243604.db2.gz KAAOTUZSEQWFBW-SECBINFHSA-N -1 0 313.335 -0.254 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccnc2ccnn21 ZINC000860758154 806245300 /nfs/dbraw/zinc/24/53/00/806245300.db2.gz GSFHPEPTFGFEKF-UHFFFAOYSA-N -1 0 312.307 -0.648 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C23CC(C2)C3)CC1 ZINC000860784481 806246467 /nfs/dbraw/zinc/24/64/67/806246467.db2.gz ZXHUABKCWHWOND-UHFFFAOYSA-N -1 0 301.368 -0.688 20 0 DBADRM Cc1noc(COc2ccc(C(=O)NCc3nnn[n-]3)cn2)n1 ZINC000860837770 806248804 /nfs/dbraw/zinc/24/88/04/806248804.db2.gz FXRGNBQOLQMVKY-UHFFFAOYSA-N -1 0 316.281 -0.205 20 0 DBADRM Cc1ccncc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000860831904 806249113 /nfs/dbraw/zinc/24/91/13/806249113.db2.gz TWKIXATUAHLPFH-BDAKNGLRSA-N -1 0 313.335 -0.772 20 0 DBADRM Cn1cccc1S(=O)(=O)[N-]C(=O)c1cn2c(n1)COCC2 ZINC000860826355 806249139 /nfs/dbraw/zinc/24/91/39/806249139.db2.gz WOKSAZXKABNNDN-UHFFFAOYSA-N -1 0 310.335 -0.130 20 0 DBADRM CCn1cc(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)c(C)n1 ZINC000860891859 806250929 /nfs/dbraw/zinc/25/09/29/806250929.db2.gz MCPDVLFPSNXMLL-SNVBAGLBSA-N -1 0 319.383 -0.068 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cnn(C2CC2)c1)OC ZINC000860892899 806251105 /nfs/dbraw/zinc/25/11/05/806251105.db2.gz ZBPXRFCOZOXLHH-NSHDSACASA-N -1 0 317.367 -0.061 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC(F)F)O1 ZINC000860877594 806251179 /nfs/dbraw/zinc/25/11/79/806251179.db2.gz SSEKTUGAJTVKJO-RITPCOANSA-N -1 0 301.267 -0.582 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cn(C2CC2)nn1 ZINC000860884183 806251400 /nfs/dbraw/zinc/25/14/00/806251400.db2.gz LCDGZCJZWJJKAI-UHFFFAOYSA-N -1 0 318.355 -0.666 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12 ZINC001318022341 806252624 /nfs/dbraw/zinc/25/26/24/806252624.db2.gz LRSZUCDNPDCEOK-KHQFGBGNSA-N -1 0 321.424 -0.212 20 0 DBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)c1=O ZINC000861160392 806260178 /nfs/dbraw/zinc/26/01/78/806260178.db2.gz MBSIOLFUCNOLAR-UHFFFAOYSA-N -1 0 324.309 -0.784 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000861143507 806257262 /nfs/dbraw/zinc/25/72/62/806257262.db2.gz MQMVIEAOSRFMNG-RKDXNWHRSA-N -1 0 306.384 -0.085 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000861137113 806257287 /nfs/dbraw/zinc/25/72/87/806257287.db2.gz MEEGNBVYNZFHHM-UWVGGRQHSA-N -1 0 306.384 -0.230 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)C1=O ZINC000861139404 806257585 /nfs/dbraw/zinc/25/75/85/806257585.db2.gz HEPZYYISBZTNSC-DTWKUNHWSA-N -1 0 304.368 -0.522 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CC(C(N)=O)=NO2)CC[C@H]1C(=O)[O-] ZINC000861455978 806267619 /nfs/dbraw/zinc/26/76/19/806267619.db2.gz JXBHFSVTOMPWLZ-IWSPIJDZSA-N -1 0 312.326 -0.631 20 0 DBADRM COC(=O)C1=CC[C@H](NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000861467442 806269192 /nfs/dbraw/zinc/26/91/92/806269192.db2.gz FYDMAKURPUBSMW-JRPNMDOOSA-N -1 0 324.333 -0.009 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCCn2cncn2)C1 ZINC000861726637 806285719 /nfs/dbraw/zinc/28/57/19/806285719.db2.gz LOMDSONRYGMNCZ-CYBMUJFWSA-N -1 0 309.326 -0.892 20 0 DBADRM COC(=O)C1=CC[C@@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000861722270 806284223 /nfs/dbraw/zinc/28/42/23/806284223.db2.gz YOSXWZAJJWSTRV-VHSXEESVSA-N -1 0 310.306 -0.703 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)n1 ZINC000861721188 806284233 /nfs/dbraw/zinc/28/42/33/806284233.db2.gz QHTICLBRVQNKCM-VHSXEESVSA-N -1 0 323.353 -0.517 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)n1 ZINC000861723128 806284279 /nfs/dbraw/zinc/28/42/79/806284279.db2.gz GYETVNVDXZSPPU-JTQLQIEISA-N -1 0 311.342 -0.613 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)n1 ZINC000861722153 806284345 /nfs/dbraw/zinc/28/43/45/806284345.db2.gz CEHCRKZESFAFQQ-NSHDSACASA-N -1 0 323.353 -0.469 20 0 DBADRM CCOC(=O)C1=CC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000861723483 806284759 /nfs/dbraw/zinc/28/47/59/806284759.db2.gz JNJFIDONOCBKOU-WPRPVWTQSA-N -1 0 312.322 -0.409 20 0 DBADRM CCn1ncn([N-]C(=O)c2cncc(N3CCCC3=O)c2)c1=O ZINC000861819196 806298681 /nfs/dbraw/zinc/29/86/81/806298681.db2.gz AQZBRRMLILZEEL-UHFFFAOYSA-N -1 0 316.321 -0.030 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2COCO2)c1 ZINC000861980025 806306981 /nfs/dbraw/zinc/30/69/81/806306981.db2.gz AESPGQNRMUMXEB-SSDOTTSWSA-N -1 0 302.308 -0.858 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)C2CCOCC2)CCC1 ZINC001318577814 806313174 /nfs/dbraw/zinc/31/31/74/806313174.db2.gz HVGNDCOPOLMRMB-UHFFFAOYSA-N -1 0 304.368 -0.472 20 0 DBADRM O=C([N-]OCCN1CCCC1=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000862217927 806316710 /nfs/dbraw/zinc/31/67/10/806316710.db2.gz YBYIFMPLUFIJSU-ADGXKJENSA-N -1 0 324.333 -0.623 20 0 DBADRM COCCOc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1 ZINC001318635332 806317571 /nfs/dbraw/zinc/31/75/71/806317571.db2.gz UQQVUVJNQLAMKT-UHFFFAOYSA-N -1 0 320.309 -0.520 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC001318648832 806319048 /nfs/dbraw/zinc/31/90/48/806319048.db2.gz AIFVCZDONKCDST-UHFFFAOYSA-N -1 0 303.340 -0.779 20 0 DBADRM COC[C@H]1CCCN1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000862600629 806322776 /nfs/dbraw/zinc/32/27/76/806322776.db2.gz UJUOWMRUVONRSF-SECBINFHSA-N -1 0 306.326 -0.787 20 0 DBADRM Cn1c2sc(C(=O)[N-]N3CCOC3=O)cc2c(=O)n(C)c1=O ZINC000862705346 806330621 /nfs/dbraw/zinc/33/06/21/806330621.db2.gz UAHUNQPYLVMKPK-UHFFFAOYSA-N -1 0 324.318 -0.604 20 0 DBADRM Cc1oc(C(=O)[N-]N2CCOC2=O)cc1S(=O)(=O)N(C)C ZINC000862701354 806331294 /nfs/dbraw/zinc/33/12/94/806331294.db2.gz UUMLGOOOTJWKEW-UHFFFAOYSA-N -1 0 317.323 -0.065 20 0 DBADRM CC(C)CC[C@@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000862777316 806336198 /nfs/dbraw/zinc/33/61/98/806336198.db2.gz FRXGVMQFFJGAPD-JTQLQIEISA-N -1 0 307.354 -0.016 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000863006203 806343307 /nfs/dbraw/zinc/34/33/07/806343307.db2.gz NQKDFQOMCAFVJA-APOZVJGGSA-N -1 0 305.338 -0.001 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000863287497 806350245 /nfs/dbraw/zinc/35/02/45/806350245.db2.gz LMQMTVKFWVSMND-GXSJLCMTSA-N -1 0 303.322 -0.245 20 0 DBADRM COC1CCN(S(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])CC1 ZINC000863407948 806356202 /nfs/dbraw/zinc/35/62/02/806356202.db2.gz LCXRTOKROAMDFS-JTQLQIEISA-N -1 0 308.356 -0.636 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCCO[C@@H]1CCOC1 ZINC001319242977 806356108 /nfs/dbraw/zinc/35/61/08/806356108.db2.gz BWXRCWKWLVBCGG-SNVBAGLBSA-N -1 0 321.337 -0.617 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)n1C ZINC000863409880 806356380 /nfs/dbraw/zinc/35/63/80/806356380.db2.gz NJKAMJWWOWTLKD-KOLCDFICSA-N -1 0 317.367 -0.113 20 0 DBADRM NC(=O)C1(C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)CC1 ZINC001319224404 806354611 /nfs/dbraw/zinc/35/46/11/806354611.db2.gz OWWBPVKPHXYQNK-UHFFFAOYSA-N -1 0 319.317 -0.366 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-] ZINC000863406975 806355101 /nfs/dbraw/zinc/35/51/01/806355101.db2.gz BYVAVWZSNBLMTI-MRVPVSSYSA-N -1 0 309.340 -0.463 20 0 DBADRM COC(=O)CCCS(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-] ZINC000863416185 806356504 /nfs/dbraw/zinc/35/65/04/806356504.db2.gz DGOQUYUNWMJFBZ-VIFPVBQESA-N -1 0 311.356 -0.263 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])CCC1 ZINC000863408952 806356524 /nfs/dbraw/zinc/35/65/24/806356524.db2.gz VFMCFFRTOZLTKR-VIFPVBQESA-N -1 0 321.351 -0.319 20 0 DBADRM CC(C)OC[C@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC000863417491 806356934 /nfs/dbraw/zinc/35/69/34/806356934.db2.gz WROOCRHVEPUEHV-NSHDSACASA-N -1 0 324.399 -0.190 20 0 DBADRM O=C(CNC(=O)CSc1n[n-]c(=S)s1)NCCO ZINC001319336385 806369130 /nfs/dbraw/zinc/36/91/30/806369130.db2.gz MGIIFZGWPSRZAG-UHFFFAOYSA-N -1 0 308.410 -0.856 20 0 DBADRM O=C(NCC[C@@H](O)COCc1ccccc1)c1cc(=O)[nH][n-]1 ZINC000863775180 806375264 /nfs/dbraw/zinc/37/52/64/806375264.db2.gz HEGISLGLGNRAHT-GFCCVEGCSA-N -1 0 305.334 -0.054 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@](F)(C(=O)[O-])C2)C1 ZINC000864125205 806390014 /nfs/dbraw/zinc/39/00/14/806390014.db2.gz YOWNSXGGSXWELT-JOYOIKCWSA-N -1 0 322.358 -0.317 20 0 DBADRM CCO[C@@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)[C@@H]1CCOC1 ZINC000864133407 806390952 /nfs/dbraw/zinc/39/09/52/806390952.db2.gz OJVRQBCQKRLKAA-BXKDBHETSA-N -1 0 324.337 -0.199 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)NCCOCC(=O)[O-])c1 ZINC000864171919 806391294 /nfs/dbraw/zinc/39/12/94/806391294.db2.gz LORIFMPTOSGXDK-IHWYPQMZSA-N -1 0 307.306 -0.328 20 0 DBADRM O=C([O-])[C@H]1c2ccoc2CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000864171262 806391520 /nfs/dbraw/zinc/39/15/20/806391520.db2.gz ZYQXCGSKIPOETE-GFCCVEGCSA-N -1 0 319.273 -0.248 20 0 DBADRM Cn1nccc1COCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000864133462 806391561 /nfs/dbraw/zinc/39/15/61/806391561.db2.gz PWIBIZAFIOGBTO-UHFFFAOYSA-N -1 0 320.309 -0.690 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NC2CC(C(=O)[O-])C2)cs1 ZINC000864204765 806391746 /nfs/dbraw/zinc/39/17/46/806391746.db2.gz RPJNQBKPFHEZBA-UHFFFAOYSA-N -1 0 304.349 -0.012 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)c1sccc1-n1cnnn1 ZINC000864213999 806391810 /nfs/dbraw/zinc/39/18/10/806391810.db2.gz YAEVXEAXTNFQPS-VXNVDRBHSA-N -1 0 323.334 -0.057 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)S1(=O)=O ZINC000864211541 806392059 /nfs/dbraw/zinc/39/20/59/806392059.db2.gz UOXYYWOPPDVRIZ-FNOROQBZSA-N -1 0 302.352 -0.610 20 0 DBADRM O=C([O-])C1CC(NC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000864204733 806392318 /nfs/dbraw/zinc/39/23/18/806392318.db2.gz PGTWJHBYKQLZTE-UHFFFAOYSA-N -1 0 302.290 -0.229 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1cn(C)nc1Br ZINC000864432461 806395507 /nfs/dbraw/zinc/39/55/07/806395507.db2.gz UQDJDMINXQSGHK-UHFFFAOYSA-N -1 0 312.145 -0.112 20 0 DBADRM COCCOc1cc(C(=O)[N-]S(=O)(=O)N(C)C)ccn1 ZINC001319867044 806413198 /nfs/dbraw/zinc/41/31/98/806413198.db2.gz PENKYNBSQLAJFH-UHFFFAOYSA-N -1 0 303.340 -0.357 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)[N-]OC2CCCC2)cn1 ZINC001320046525 806434542 /nfs/dbraw/zinc/43/45/42/806434542.db2.gz YWZYAIUGJHAGKY-UHFFFAOYSA-N -1 0 323.353 -0.100 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)NC2CC2)C1 ZINC000866179043 806434934 /nfs/dbraw/zinc/43/49/34/806434934.db2.gz GHRKVPOBADEYBZ-NSHDSACASA-N -1 0 307.272 -0.066 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@]1(OC)CCOC1 ZINC000867110240 806473437 /nfs/dbraw/zinc/47/34/37/806473437.db2.gz XMLCORAGJYAYPP-VVVCHXIZSA-N -1 0 300.402 -0.256 20 0 DBADRM C[S@](=O)C1(C[N-]S(=O)(=O)N=S(C)(C)=O)CCC1 ZINC000867223504 806481177 /nfs/dbraw/zinc/48/11/77/806481177.db2.gz KNQZIEMRHWLTEX-HNNXBMFYSA-N -1 0 302.443 -0.150 20 0 DBADRM CCN1CC[C@@H]([N-]S(=O)(=O)N=S2(=O)CCCC2)C1=O ZINC000867240380 806483274 /nfs/dbraw/zinc/48/32/74/806483274.db2.gz DCAVMBOOVOKLMS-SECBINFHSA-N -1 0 309.413 -0.297 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000867378304 806492800 /nfs/dbraw/zinc/49/28/00/806492800.db2.gz UCYHXKRXZAFINS-DTWKUNHWSA-N -1 0 309.413 -0.298 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cnc3c(cnn3C)c2)cn1 ZINC001320567530 806503791 /nfs/dbraw/zinc/50/37/91/806503791.db2.gz ZQLMRNQEUYGCAJ-UHFFFAOYSA-N -1 0 320.334 -0.180 20 0 DBADRM CN1C(=O)CN([N-]S(=O)(=O)c2c[nH]c3ncccc23)C1=O ZINC001320567607 806504006 /nfs/dbraw/zinc/50/40/06/806504006.db2.gz WAIDAWJWBLEMGN-UHFFFAOYSA-N -1 0 309.307 -0.350 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC001320617632 806510554 /nfs/dbraw/zinc/51/05/54/806510554.db2.gz FHENNXKWYLONPP-UHFFFAOYSA-N -1 0 320.305 -0.715 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NCCc1n[n-]c(=S)o1 ZINC001320632374 806511226 /nfs/dbraw/zinc/51/12/26/806511226.db2.gz DJYZNUDHSNSQFV-UHFFFAOYSA-N -1 0 308.385 -0.702 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC001320728460 806522130 /nfs/dbraw/zinc/52/21/30/806522130.db2.gz NJDCUXPGUKYRQQ-UHFFFAOYSA-N -1 0 300.336 -0.110 20 0 DBADRM CCN(CC[NH2+]Cc1n[nH]c(=O)[n-]1)C(=O)c1cc(OC)ncn1 ZINC001320738509 806522994 /nfs/dbraw/zinc/52/29/94/806522994.db2.gz XYRFPDYMRMLPMF-UHFFFAOYSA-N -1 0 321.341 -0.439 20 0 DBADRM CN(C)S(=O)(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000867892672 806531030 /nfs/dbraw/zinc/53/10/30/806531030.db2.gz DUXVDSNIMFJDNS-MRVPVSSYSA-N -1 0 303.306 -0.064 20 0 DBADRM COCCn1cc(S(=O)(=O)[N-]c2ccnc3ncnn32)cn1 ZINC001320814932 806531534 /nfs/dbraw/zinc/53/15/34/806531534.db2.gz FQMKOKHQLWYPJP-UHFFFAOYSA-N -1 0 323.338 -0.232 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)CCc1ccncn1 ZINC001320869834 806537730 /nfs/dbraw/zinc/53/77/30/806537730.db2.gz WSWFTTBLNNLWNY-UHFFFAOYSA-N -1 0 317.367 -0.482 20 0 DBADRM CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC[C@H]1O ZINC000868348479 806543983 /nfs/dbraw/zinc/54/39/83/806543983.db2.gz OCOZEZVRVXZXOJ-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CCOC3)C2)C1 ZINC000868336961 806544080 /nfs/dbraw/zinc/54/40/80/806544080.db2.gz JIUNGRYHBKCSBU-ABAIWWIYSA-N -1 0 310.350 -0.051 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC001320992867 806551751 /nfs/dbraw/zinc/55/17/51/806551751.db2.gz CGSULOADSSQKPY-UHFFFAOYSA-N -1 0 315.215 -0.132 20 0 DBADRM O=C(Cc1n[nH]c(=O)c2ccccc12)NCCc1nc(=O)o[n-]1 ZINC001321034420 806559928 /nfs/dbraw/zinc/55/99/28/806559928.db2.gz GBWDBHNSXKLNEI-UHFFFAOYSA-N -1 0 315.289 -0.087 20 0 DBADRM CC[C@]1(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001321095790 806570506 /nfs/dbraw/zinc/57/05/06/806570506.db2.gz DXFRKHZFUWWDTM-VQTKUKTRSA-N -1 0 322.369 -0.811 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)[N-]OCCSC)n1 ZINC001321097997 806572056 /nfs/dbraw/zinc/57/20/56/806572056.db2.gz VIHDALFZZLNOQB-UHFFFAOYSA-N -1 0 302.356 -0.121 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000869149147 806574757 /nfs/dbraw/zinc/57/47/57/806574757.db2.gz RJRLRNRMKCNRHA-SFYZADRCSA-N -1 0 300.233 -0.483 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccnn2C)CCC1 ZINC001321186649 806584361 /nfs/dbraw/zinc/58/43/61/806584361.db2.gz WXOUOZQLPFUSFG-UHFFFAOYSA-N -1 0 300.340 -0.859 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(C(N)=O)nc2)C1=O ZINC001321204643 806586519 /nfs/dbraw/zinc/58/65/19/806586519.db2.gz PWXAXSKMFZTRGJ-ZDUSSCGKSA-N -1 0 305.294 -0.454 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C/C1CCOCC1 ZINC001321245539 806594054 /nfs/dbraw/zinc/59/40/54/806594054.db2.gz CAYYEKHVCFOWEW-NSCUHMNNSA-N -1 0 304.368 -0.449 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000870169123 806595931 /nfs/dbraw/zinc/59/59/31/806595931.db2.gz NFVYSTJUJDCGBN-LLVKDONJSA-N -1 0 303.384 -0.156 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)cn1 ZINC000870169045 806596354 /nfs/dbraw/zinc/59/63/54/806596354.db2.gz LDLNKMXYPKEVSX-UHFFFAOYSA-N -1 0 302.356 -0.400 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)N1CCCC1)[C@H]1CCOC1 ZINC000870168626 806596366 /nfs/dbraw/zinc/59/63/66/806596366.db2.gz HBMBUXJRGIEJNC-QWRGUYRKSA-N -1 0 306.384 -0.115 20 0 DBADRM CC[C@]1(C(=O)[N-]S(=O)(=O)N2CCCCC2)CCNC1=O ZINC000870168596 806596386 /nfs/dbraw/zinc/59/63/86/806596386.db2.gz GGKNUJYTHDDLOO-LBPRGKRZSA-N -1 0 303.384 -0.250 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cccn(C2CC2)c1=O ZINC000870199456 806597085 /nfs/dbraw/zinc/59/70/85/806597085.db2.gz MHRRWWKSNQHCIW-UHFFFAOYSA-N -1 0 300.336 -0.111 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C[C@@H]1Cc2ccccc2O1 ZINC000870200396 806597166 /nfs/dbraw/zinc/59/71/66/806597166.db2.gz YDGMMQFSFDDOOK-JTQLQIEISA-N -1 0 313.331 -0.001 20 0 DBADRM O=C(Cc1cnn2c1CCCC2)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000870203215 806597324 /nfs/dbraw/zinc/59/73/24/806597324.db2.gz ATTSGRVJLAOXJF-LLVKDONJSA-N -1 0 313.379 -0.003 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H](OCC)[C@H]1CCOC1 ZINC000870199348 806597363 /nfs/dbraw/zinc/59/73/63/806597363.db2.gz LEDVYLAYKJVNIV-QWRGUYRKSA-N -1 0 309.384 -0.090 20 0 DBADRM CCOC1CC2(C[C@H]2C(=O)[N-]S(=O)(=O)CC(=O)OC)C1 ZINC000870199051 806597704 /nfs/dbraw/zinc/59/77/04/806597704.db2.gz HRZOIARALAGUGP-XEVUQIKYSA-N -1 0 305.352 -0.189 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000870278213 806598254 /nfs/dbraw/zinc/59/82/54/806598254.db2.gz SJNOOFTZETXIFA-MNOVXSKESA-N -1 0 304.368 -0.378 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000870278212 806598275 /nfs/dbraw/zinc/59/82/75/806598275.db2.gz SJNOOFTZETXIFA-GHMZBOCLSA-N -1 0 304.368 -0.378 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC000870243842 806598598 /nfs/dbraw/zinc/59/85/98/806598598.db2.gz QUNOTLRPYBURSX-HBNTYKKESA-N -1 0 309.384 -0.091 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cn1 ZINC000870276159 806598733 /nfs/dbraw/zinc/59/87/33/806598733.db2.gz SUKQMVZBBWJFSP-NSHDSACASA-N -1 0 317.367 -0.232 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)N(C)CCOC)c1C ZINC000870236270 806598780 /nfs/dbraw/zinc/59/87/80/806598780.db2.gz CEFSUFAVIMJTQZ-UHFFFAOYSA-N -1 0 304.372 -0.236 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000870243839 806598857 /nfs/dbraw/zinc/59/88/57/806598857.db2.gz QUNOTLRPYBURSX-GARJFASQSA-N -1 0 309.384 -0.091 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)cn1 ZINC000870320238 806599523 /nfs/dbraw/zinc/59/95/23/806599523.db2.gz LGLKGYHTFCZSLE-VIFPVBQESA-N -1 0 305.356 -0.376 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)cn1 ZINC000870320237 806599549 /nfs/dbraw/zinc/59/95/49/806599549.db2.gz LGLKGYHTFCZSLE-SECBINFHSA-N -1 0 305.356 -0.376 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cccc(N2CCC2=O)c1 ZINC001321451131 806626732 /nfs/dbraw/zinc/62/67/32/806626732.db2.gz XPRUYMTYAJSSKA-UHFFFAOYSA-N -1 0 315.293 -0.809 20 0 DBADRM NC(=O)c1cccc(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)c1 ZINC001321514700 806634453 /nfs/dbraw/zinc/63/44/53/806634453.db2.gz LYWVXQPPTZLCMC-LLVKDONJSA-N -1 0 321.333 -0.514 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC001321536316 806637560 /nfs/dbraw/zinc/63/75/60/806637560.db2.gz KPOGWXHCEXOGPD-UHFFFAOYSA-N -1 0 324.333 -0.189 20 0 DBADRM COCCS(=O)(=O)N1CC[C@H]([C@H]2CCCO2)[C@@H]1C(=O)[O-] ZINC000871740404 806641729 /nfs/dbraw/zinc/64/17/29/806641729.db2.gz NIHKARPZVBXXDB-GMTAPVOTSA-N -1 0 307.368 -0.083 20 0 DBADRM CN(C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000871775405 806642446 /nfs/dbraw/zinc/64/24/46/806642446.db2.gz HNZFDDVCKRCIBN-ZRUFSTJUSA-N -1 0 316.379 -0.122 20 0 DBADRM CC(=O)N1CCc2c1cccc2NC(=O)C(=O)[N-]OCC(N)=O ZINC001321690658 806659203 /nfs/dbraw/zinc/65/92/03/806659203.db2.gz ZHDASPAUKGYELF-UHFFFAOYSA-N -1 0 320.305 -0.933 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)CN1CCCS1(=O)=O)CC2 ZINC000872767312 806671865 /nfs/dbraw/zinc/67/18/65/806671865.db2.gz TYZVHNQDDZKFGT-MFKMUULPSA-N -1 0 316.379 -0.122 20 0 DBADRM O=C(Cc1ccc(Cl)cn1)[N-]S(=O)(=O)N1CCOCC1 ZINC000873507887 806686034 /nfs/dbraw/zinc/68/60/34/806686034.db2.gz XCDQHQNGDJADAF-UHFFFAOYSA-N -1 0 319.770 -0.029 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC000873503897 806686386 /nfs/dbraw/zinc/68/63/86/806686386.db2.gz OCXJDOQHXKHLJB-NTSWFWBYSA-N -1 0 302.274 -0.233 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C(C)C ZINC000873524525 806687578 /nfs/dbraw/zinc/68/75/78/806687578.db2.gz CUBRCBATTKKKLG-UWVGGRQHSA-N -1 0 306.384 -0.133 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001321982600 806697005 /nfs/dbraw/zinc/69/70/05/806697005.db2.gz AMVKDZAAVPUAMB-QWRGUYRKSA-N -1 0 315.370 -0.508 20 0 DBADRM CCn1cc(-c2[nH]ncc2C(=O)[N-]N2CC(=O)NC2=O)cn1 ZINC001322039143 806704415 /nfs/dbraw/zinc/70/44/15/806704415.db2.gz GOXPSTXLQPWPOV-UHFFFAOYSA-N -1 0 303.282 -0.510 20 0 DBADRM O=Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])s1 ZINC000874965233 806723857 /nfs/dbraw/zinc/72/38/57/806723857.db2.gz JZXKQOWZFRHUSU-QMMMGPOBSA-N -1 0 317.344 -0.116 20 0 DBADRM O=Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])s1 ZINC000874965231 806724333 /nfs/dbraw/zinc/72/43/33/806724333.db2.gz JZXKQOWZFRHUSU-MRVPVSSYSA-N -1 0 317.344 -0.116 20 0 DBADRM CC(=O)NCCN(C(=O)c1cc(C=O)cn1C)[C@H](C)C(=O)[O-] ZINC000874964161 806724900 /nfs/dbraw/zinc/72/49/00/806724900.db2.gz IIFBEWWNFLEGKX-SECBINFHSA-N -1 0 309.322 -0.111 20 0 DBADRM Cc1nc2ncnn2c(C)c1CCC(=O)NCc1n[nH]c(=O)[n-]1 ZINC001322296453 806731493 /nfs/dbraw/zinc/73/14/93/806731493.db2.gz KWGKNGYXCGUTDU-UHFFFAOYSA-N -1 0 316.325 -0.186 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCCc1nc(C)no1 ZINC001322501284 806746505 /nfs/dbraw/zinc/74/65/05/806746505.db2.gz MTDNKHQDTMUJFR-UHFFFAOYSA-N -1 0 302.356 -0.162 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC001322515190 806748286 /nfs/dbraw/zinc/74/82/86/806748286.db2.gz VEQCESQDTRHBCR-VHSXEESVSA-N -1 0 322.383 -0.400 20 0 DBADRM COc1ccccc1CO[N-]C(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001322660037 806766697 /nfs/dbraw/zinc/76/66/97/806766697.db2.gz ZXMNDNPVQTYGIX-NSHDSACASA-N -1 0 321.333 -0.410 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)Cc1nc2ncccn2n1 ZINC001322740707 806773527 /nfs/dbraw/zinc/77/35/27/806773527.db2.gz QDMUZRWDMXTBGZ-UHFFFAOYSA-N -1 0 313.339 -0.851 20 0 DBADRM COc1ccc(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)nc1 ZINC001322924087 806799615 /nfs/dbraw/zinc/79/96/15/806799615.db2.gz YPDZCMVMJWVQOH-SNVBAGLBSA-N -1 0 309.322 -0.209 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)c2n[nH]nc2C)ccc1[O-] ZINC001323112625 806825274 /nfs/dbraw/zinc/82/52/74/806825274.db2.gz FXFJGGYNCHOWSR-UHFFFAOYSA-N -1 0 311.323 -0.021 20 0 DBADRM COC(=O)[C@H]1CCC[C@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001323116837 806826324 /nfs/dbraw/zinc/82/63/24/806826324.db2.gz FLFDDHBZXMFGIS-VHSXEESVSA-N -1 0 309.322 -0.615 20 0 DBADRM Cn1cnnc1CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001323366717 806864403 /nfs/dbraw/zinc/86/44/03/806864403.db2.gz HNQIDUFTSOIERK-UHFFFAOYSA-N -1 0 301.266 -0.506 20 0 DBADRM CS(=O)(=O)CCNC(=O)C(=O)[N-]OCc1ccccc1 ZINC001323424629 806872371 /nfs/dbraw/zinc/87/23/71/806872371.db2.gz LTIYIOVBCPXRFQ-UHFFFAOYSA-N -1 0 300.336 -0.605 20 0 DBADRM COCCn1[n-]c(C)c(C(=O)NC2CCN(C(C)=O)CC2)c1=O ZINC001323578081 806889851 /nfs/dbraw/zinc/88/98/51/806889851.db2.gz QUCJXFPTPDXCJR-CYBMUJFWSA-N -1 0 324.381 -0.406 20 0 DBADRM COC[C@H](NC(=O)C(=O)[N-]OC[C@H]1CCOC1)[C@H]1CCCO1 ZINC001323585267 806892380 /nfs/dbraw/zinc/89/23/80/806892380.db2.gz KCEXYSXSSBNHPR-SDDRHHMPSA-N -1 0 316.354 -0.619 20 0 DBADRM CNS(=O)(=O)CCN1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879767735 806901557 /nfs/dbraw/zinc/90/15/57/806901557.db2.gz OBRXITHFRUJXGE-SECBINFHSA-N -1 0 317.333 -0.322 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)[C@H]1OC ZINC001323757868 806911200 /nfs/dbraw/zinc/91/12/00/806911200.db2.gz AMQIYCDBQUQHNU-WRWGMCAJSA-N -1 0 316.354 -0.621 20 0 DBADRM Cn1nnc2cc(C(=O)N3CCC[C@H](c4nnn[n-]4)C3)cnc21 ZINC001323811237 806917787 /nfs/dbraw/zinc/91/77/87/806917787.db2.gz IQCLJMLLYITNKL-QMMMGPOBSA-N -1 0 313.325 -0.104 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC001323929520 806929074 /nfs/dbraw/zinc/92/90/74/806929074.db2.gz JHTULDWAYQLDGK-ZYHUDNBSSA-N -1 0 300.355 -0.120 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCCNC(=O)c1ccccc1 ZINC001323940397 806930386 /nfs/dbraw/zinc/93/03/86/806930386.db2.gz IQCXLBFFGNSRPX-UHFFFAOYSA-N -1 0 323.349 -0.383 20 0 DBADRM CCN1OC[C@H](n2cc(C[N-]C(=O)C(F)(F)F)nn2)C1=O ZINC000881327618 806941085 /nfs/dbraw/zinc/94/10/85/806941085.db2.gz PLNGAYCDFWYWFP-ZETCQYMHSA-N -1 0 307.232 -0.209 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccoc2CC(N)=O)C1=O ZINC001324099441 806943857 /nfs/dbraw/zinc/94/38/57/806943857.db2.gz HMPLRTFGBROFNY-CYBMUJFWSA-N -1 0 308.294 -0.327 20 0 DBADRM CCn1ncn([N-]C(=O)c2ccc(C(N)=O)c(Cl)n2)c1=O ZINC001324332657 806964312 /nfs/dbraw/zinc/96/43/12/806964312.db2.gz DBABCBGOQHANRA-UHFFFAOYSA-N -1 0 310.701 -0.404 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC1(C)OCCCO1 ZINC000882126291 806967984 /nfs/dbraw/zinc/96/79/84/806967984.db2.gz YHQPUSAFPWPDOX-SFHVURJKSA-N -1 0 315.417 -0.452 20 0 DBADRM COC(=O)c1ccc(F)c(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC001324383470 806970148 /nfs/dbraw/zinc/97/01/48/806970148.db2.gz VXSLUOHJXJOVTH-UHFFFAOYSA-N -1 0 313.241 -0.916 20 0 DBADRM COCC(COC)[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000882238489 806972711 /nfs/dbraw/zinc/97/27/11/806972711.db2.gz VEFMHAKCJUVGIV-QGZVFWFLSA-N -1 0 303.406 -0.943 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCOC[C@H]1CCOC1 ZINC001324420667 806972810 /nfs/dbraw/zinc/97/28/10/806972810.db2.gz SIWSSXGSFRRQQD-RYUDHWBXSA-N -1 0 316.354 -0.760 20 0 DBADRM Cn1nnn(CC(=O)C2([N-]C(=O)C(F)(F)F)CCCC2)c1=O ZINC000882233293 806973152 /nfs/dbraw/zinc/97/31/52/806973152.db2.gz ZLWIOTGLWOIMCK-UHFFFAOYSA-N -1 0 321.259 -0.463 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCc1ccc2c(c1)CCO2 ZINC001324499114 806979388 /nfs/dbraw/zinc/97/93/88/806979388.db2.gz CUPOEMUCPWJRBI-UHFFFAOYSA-N -1 0 308.334 -0.026 20 0 DBADRM O=C(NC[C@@H]1CN(CCCF)CCO1)c1n[nH]c(=O)[n-]c1=O ZINC001035436326 814937531 /nfs/dbraw/zinc/93/75/31/814937531.db2.gz PSABNEZYPXKGMC-MRVPVSSYSA-N -1 0 315.305 -0.927 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000038022473 803760757 /nfs/dbraw/zinc/76/07/57/803760757.db2.gz GWUVPCFLICNVCP-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM CCCN(CC(=O)NC)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000038100405 803762055 /nfs/dbraw/zinc/76/20/55/803762055.db2.gz VMZJELDZYRJLFH-UHFFFAOYSA-N -1 0 318.355 -0.886 20 0 DBADRM CC(C)(NC(=O)CSCC(=O)N1CCOCC1)C(=O)[O-] ZINC000040909995 803762657 /nfs/dbraw/zinc/76/26/57/803762657.db2.gz RFBQXFKUJSVCCN-UHFFFAOYSA-N -1 0 304.368 -0.442 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)COCC(=O)[O-] ZINC000042289470 803765987 /nfs/dbraw/zinc/76/59/87/803765987.db2.gz BZJOTUYAUVQILI-VIFPVBQESA-N -1 0 308.356 -0.982 20 0 DBADRM CCCCCN1CCn2c(nnc2C(=O)N=c2nn[n-]n2C)C1 ZINC001278228034 803769062 /nfs/dbraw/zinc/76/90/62/803769062.db2.gz IOTSYRUOVGXIIY-UHFFFAOYSA-N -1 0 319.373 -0.518 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000044352810 803769115 /nfs/dbraw/zinc/76/91/15/803769115.db2.gz AOECVVRVEKNKHX-UHFFFAOYSA-N -1 0 302.308 -0.495 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000044352809 803770252 /nfs/dbraw/zinc/77/02/52/803770252.db2.gz JLWOZJADJFCNNW-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM Cc1nc(C(=O)[N-]N2CC(=O)NC2=O)nn1-c1ccc(F)cc1 ZINC000053286262 803778259 /nfs/dbraw/zinc/77/82/59/803778259.db2.gz JJNYHMMJHBUGDR-UHFFFAOYSA-N -1 0 318.268 -0.089 20 0 DBADRM O=C([O-])c1cccc(N2C(=O)C[C@H](N3CCNC(=O)C3)C2=O)c1 ZINC000054360386 803780427 /nfs/dbraw/zinc/78/04/27/803780427.db2.gz MRFRXNGGSSORIC-NSHDSACASA-N -1 0 317.301 -0.552 20 0 DBADRM CC(C)(CNC(=O)N1CCOC[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000093535332 803803004 /nfs/dbraw/zinc/80/30/04/803803004.db2.gz OIHFFVALAGYNDD-QMMMGPOBSA-N -1 0 308.356 -0.695 20 0 DBADRM C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)CCS(C)(=O)=O ZINC000111441451 803807665 /nfs/dbraw/zinc/80/76/65/803807665.db2.gz ONUIHTRHVBZNNW-BQBZGAKWSA-N -1 0 317.410 -0.791 20 0 DBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000123585438 803810422 /nfs/dbraw/zinc/81/04/22/803810422.db2.gz ICTNEGDWBMUDCY-UHFFFAOYSA-N -1 0 302.327 -0.037 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC(=O)NC1CC1 ZINC000134676679 803817010 /nfs/dbraw/zinc/81/70/10/803817010.db2.gz NPUDLIAUQMAGLR-UHFFFAOYSA-N -1 0 319.364 -0.513 20 0 DBADRM CN(C)C(=O)NCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000160772397 803823242 /nfs/dbraw/zinc/82/32/42/803823242.db2.gz HVAYQUSSEZQVTF-UHFFFAOYSA-N -1 0 304.328 -0.738 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cn(C(C)(C)C)nn2)cn1 ZINC000192190042 803827606 /nfs/dbraw/zinc/82/76/06/803827606.db2.gz VATFLMDWAHIUBU-UHFFFAOYSA-N -1 0 312.355 -0.115 20 0 DBADRM CCCN1CCO[C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001035534896 814969222 /nfs/dbraw/zinc/96/92/22/814969222.db2.gz DOKNFFYYJLPVCH-NSHDSACASA-N -1 0 319.365 -0.137 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C)CC(=O)[O-] ZINC000262932119 803832657 /nfs/dbraw/zinc/83/26/57/803832657.db2.gz GLWVSRANZSMSGF-VIFPVBQESA-N -1 0 310.372 -0.690 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1C(=O)[O-] ZINC000323027827 803840805 /nfs/dbraw/zinc/84/08/05/803840805.db2.gz BMWHYRGBLOBYKR-GHMZBOCLSA-N -1 0 301.320 -0.269 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC/C=C/C(=O)[O-] ZINC000380180248 803852392 /nfs/dbraw/zinc/85/23/92/803852392.db2.gz DYARZINVGVITDG-SWTNXBIASA-N -1 0 306.340 -0.511 20 0 DBADRM NS(=O)(=O)c1cccc(S(=O)(=O)NC/C=C/C(=O)[O-])c1 ZINC000383542092 803854297 /nfs/dbraw/zinc/85/42/97/803854297.db2.gz DYUDOYRHGSPJPW-GORDUTHDSA-N -1 0 320.348 -0.747 20 0 DBADRM Cc1cc(C)n(CCC(=O)N2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC000396620149 803860840 /nfs/dbraw/zinc/86/08/40/803860840.db2.gz AZYGJXVCHRGURK-UHFFFAOYSA-N -1 0 308.338 -0.355 20 0 DBADRM CC(C)COCCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000396631045 803861251 /nfs/dbraw/zinc/86/12/51/803861251.db2.gz DSDXQYHVHPIWCP-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM Cc1nn(C)c(C)c1CCC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000396753060 803861786 /nfs/dbraw/zinc/86/17/86/803861786.db2.gz ZKCCRTDDQYZQIE-UHFFFAOYSA-N -1 0 322.365 -0.275 20 0 DBADRM O=C([O-])C(=O)N1CCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC000396690062 803861826 /nfs/dbraw/zinc/86/18/26/803861826.db2.gz CTJXWDHQOUACQB-UHFFFAOYSA-N -1 0 315.333 -0.004 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000396746205 803862098 /nfs/dbraw/zinc/86/20/98/803862098.db2.gz NJYTYDCWKLTDOI-GFCCVEGCSA-N -1 0 318.329 -0.007 20 0 DBADRM O=C1C[C@@H](CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CN1 ZINC000398451251 803863981 /nfs/dbraw/zinc/86/39/81/803863981.db2.gz NZPSOMVOHCVTGU-SSDOTTSWSA-N -1 0 315.307 -0.285 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2CCOC[C@H](O)C2)c1 ZINC000399931486 803864031 /nfs/dbraw/zinc/86/40/31/803864031.db2.gz MVGFBIWKVLTKOT-SNVBAGLBSA-N -1 0 301.320 -0.233 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2CCOC[C@@H](O)C2)c1 ZINC000399931479 803864260 /nfs/dbraw/zinc/86/42/60/803864260.db2.gz MVGFBIWKVLTKOT-JTQLQIEISA-N -1 0 301.320 -0.233 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)N2CC(C)(C(=O)[O-])C2)CC1 ZINC000399340211 803864273 /nfs/dbraw/zinc/86/42/73/803864273.db2.gz RYYMXFKVIQIAEZ-UHFFFAOYSA-N -1 0 318.395 -0.019 20 0 DBADRM CN(C(=O)NC1CCN(S(C)(=O)=O)CC1)C(C)(C)C(=O)[O-] ZINC000400198128 803865046 /nfs/dbraw/zinc/86/50/46/803865046.db2.gz PWKHAFACPDGRPO-UHFFFAOYSA-N -1 0 321.399 -0.085 20 0 DBADRM COC[C@@H](C)n1ccc(NC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC000428780022 803868988 /nfs/dbraw/zinc/86/89/88/803868988.db2.gz PBLHZUGGPWPVFH-MRVPVSSYSA-N -1 0 307.310 0.142 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000565053713 803875342 /nfs/dbraw/zinc/87/53/42/803875342.db2.gz CUKKBQBMJCTDND-UHFFFAOYSA-N -1 0 314.327 -0.562 20 0 DBADRM COc1ncc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1Cl ZINC000650388380 803897224 /nfs/dbraw/zinc/89/72/24/803897224.db2.gz IFBNDBPDYUBSOC-SSDOTTSWSA-N -1 0 310.715 -0.533 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)N=c1nc2nc(C)cc(C)n2[n-]1 ZINC000650364345 803897639 /nfs/dbraw/zinc/89/76/39/803897639.db2.gz OACMPOCVKAXZRU-WDEREUQCSA-N -1 0 320.353 -0.223 20 0 DBADRM O=C([O-])[C@@H](Cc1ncccn1)NS(=O)(=O)N1CCCCC1 ZINC000650429265 803898254 /nfs/dbraw/zinc/89/82/54/803898254.db2.gz HKCJNZCQFFOYHQ-SNVBAGLBSA-N -1 0 314.367 -0.207 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650428754 803898476 /nfs/dbraw/zinc/89/84/76/803898476.db2.gz SKHPQJKWLJBLBU-ZJUUUORDSA-N -1 0 314.367 -0.209 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@H](Cc2ncccn2)C(=O)[O-])c1 ZINC000650429123 803898605 /nfs/dbraw/zinc/89/86/05/803898605.db2.gz CHTGCJQYIQNTLZ-QMMMGPOBSA-N -1 0 311.323 -0.816 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnnn2C)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC000650423995 803898821 /nfs/dbraw/zinc/89/88/21/803898821.db2.gz LTPAMOUIGAELPU-ZXFLCMHBSA-N -1 0 304.328 -0.934 20 0 DBADRM COC1(C[C@H](NS(=O)(=O)N2CCOCC2)C(=O)[O-])CCC1 ZINC000650432219 803899163 /nfs/dbraw/zinc/89/91/63/803899163.db2.gz QYOSKPRQITXCQB-JTQLQIEISA-N -1 0 322.383 -0.435 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)c1[O-] ZINC000676699036 803904778 /nfs/dbraw/zinc/90/47/78/803904778.db2.gz ZJGNHEOFDILZSU-QMMMGPOBSA-N -1 0 302.356 -0.436 20 0 DBADRM CC[C@@H](NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000690659488 803908290 /nfs/dbraw/zinc/90/82/90/803908290.db2.gz MWYHMESMIKILOL-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)CCS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000693468903 803908681 /nfs/dbraw/zinc/90/86/81/803908681.db2.gz GQMGBJMALHFQFE-RKDXNWHRSA-N -1 0 313.397 -0.597 20 0 DBADRM NC(=O)C[C@@H]1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000690733091 803908713 /nfs/dbraw/zinc/90/87/13/803908713.db2.gz OVRPFCLPODKBIK-ZETCQYMHSA-N -1 0 301.324 -0.401 20 0 DBADRM Cn1ncc(Br)c1CNC(=O)COCC(=O)[O-] ZINC000693483636 803908888 /nfs/dbraw/zinc/90/88/88/803908888.db2.gz WPXSIAUWXQMOQK-UHFFFAOYSA-N -1 0 306.116 -0.100 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNc2cc(C(=O)[O-])ncn2)C1 ZINC000690742689 803908983 /nfs/dbraw/zinc/90/89/83/803908983.db2.gz RECNLLZPHDZYDW-QMMMGPOBSA-N -1 0 300.340 -0.132 20 0 DBADRM O=C([O-])C12CC(C1)CN2C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000694766026 803909154 /nfs/dbraw/zinc/90/91/54/803909154.db2.gz WKALWSYUMKKRDR-NBBOBHDQSA-N -1 0 319.404 -0.018 20 0 DBADRM CC(C)(NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000690894284 803909244 /nfs/dbraw/zinc/90/92/44/803909244.db2.gz VOTPHXLIJBYFJN-QMMMGPOBSA-N -1 0 307.372 -0.570 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000697301835 803912028 /nfs/dbraw/zinc/91/20/28/803912028.db2.gz HZKXYVBVIGUNQL-NSHDSACASA-N -1 0 308.356 -0.871 20 0 DBADRM CSCCN(CC(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000699965888 803912695 /nfs/dbraw/zinc/91/26/95/803912695.db2.gz QROLOIHVNNJKLZ-UHFFFAOYSA-N -1 0 319.426 -0.890 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000702559077 803914277 /nfs/dbraw/zinc/91/42/77/803914277.db2.gz LIUONJHIIYLCCA-UWVGGRQHSA-N -1 0 302.352 -0.300 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000706428070 803917330 /nfs/dbraw/zinc/91/73/30/803917330.db2.gz WBTIAWGAPRLAIG-UHFFFAOYSA-N -1 0 311.237 -0.076 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2COCC[C@@H]2O)cc1 ZINC000710865520 803919278 /nfs/dbraw/zinc/91/92/78/803919278.db2.gz JSZLBZYAFQOLFY-QWRGUYRKSA-N -1 0 301.320 -0.187 20 0 DBADRM CO[C@@]1(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CCSC1 ZINC000719216192 803926222 /nfs/dbraw/zinc/92/62/22/803926222.db2.gz BJRDFPMZMBLEPA-KBVBSXBZSA-N -1 0 304.368 -0.262 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1cn(C)nc1Br ZINC000720660748 803927444 /nfs/dbraw/zinc/92/74/44/803927444.db2.gz LMTYBFLUHJNBQO-LURJTMIESA-N -1 0 306.116 -0.102 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2ccc(CC(=O)[O-])cc2)C1=O ZINC000737508021 803934459 /nfs/dbraw/zinc/93/44/59/803934459.db2.gz MWPISXZWZQCIAM-UHFFFAOYSA-N -1 0 319.273 -0.327 20 0 DBADRM CCc1cc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])[nH]n1 ZINC000737896065 803935306 /nfs/dbraw/zinc/93/53/06/803935306.db2.gz FJFCMTPUELOLNU-JTQLQIEISA-N -1 0 302.356 -0.145 20 0 DBADRM O=C(NCCNc1nccc(C(F)(F)F)n1)c1cc(=O)[nH][n-]1 ZINC000738545536 803938511 /nfs/dbraw/zinc/93/85/11/803938511.db2.gz HWWJFKSISBOMIO-UHFFFAOYSA-N -1 0 316.243 -0.101 20 0 DBADRM Cn1cc(C(=O)N2CCSC[C@@H]2CC(=O)[O-])c(=O)[nH]c1=O ZINC000739026878 803940291 /nfs/dbraw/zinc/94/02/91/803940291.db2.gz SMBWHWADSMXMKF-ZETCQYMHSA-N -1 0 313.335 -0.482 20 0 DBADRM COCCN(CC(=O)N1CCO[C@H](C(=O)OC)C1)C(=O)[O-] ZINC000739822098 803942773 /nfs/dbraw/zinc/94/27/73/803942773.db2.gz JCCDKCKTQIUNQX-VIFPVBQESA-N -1 0 304.299 -0.987 20 0 DBADRM Cc1ccc([C@H](O)CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)o1 ZINC000741303381 803957155 /nfs/dbraw/zinc/95/71/55/803957155.db2.gz VDHUOJDHUXAFKJ-SNVBAGLBSA-N -1 0 317.305 -0.178 20 0 DBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CC1CC1)C(C)C ZINC000741444243 803959259 /nfs/dbraw/zinc/95/92/59/803959259.db2.gz VNQXIYCNQVKSJB-NSHDSACASA-N -1 0 306.384 -0.370 20 0 DBADRM CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000744136421 803987679 /nfs/dbraw/zinc/98/76/79/803987679.db2.gz FNNOIYMJBLISFY-JTQLQIEISA-N -1 0 306.384 -0.226 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C ZINC000744240973 803988532 /nfs/dbraw/zinc/98/85/32/803988532.db2.gz YBXRRWFPUSTPJR-SSDOTTSWSA-N -1 0 307.401 -0.392 20 0 DBADRM CO[N-]C(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000746114306 804010129 /nfs/dbraw/zinc/01/01/29/804010129.db2.gz ZZBQRQKOSOCEKQ-SNVBAGLBSA-N -1 0 305.290 -0.406 20 0 DBADRM CS(=O)(=O)NCCC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000746357298 804015075 /nfs/dbraw/zinc/01/50/75/804015075.db2.gz XIRPMXRDHJPFJY-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C1 ZINC000747118707 804024136 /nfs/dbraw/zinc/02/41/36/804024136.db2.gz PDKUROPOBMQYJW-CMPLNLGQSA-N -1 0 304.368 -0.520 20 0 DBADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)N2CCOCC2)cn1 ZINC000747752465 804031275 /nfs/dbraw/zinc/03/12/75/804031275.db2.gz VROPTNWYWZFSOA-IHWYPQMZSA-N -1 0 300.340 -0.874 20 0 DBADRM Cc1nc2cc[n-]n2c(=O)c1CC(=O)OCCN1CCOCC1 ZINC000747700926 804031443 /nfs/dbraw/zinc/03/14/43/804031443.db2.gz MDWZKWZDXGBMOJ-UHFFFAOYSA-N -1 0 320.349 -0.251 20 0 DBADRM CS(=O)(=O)Nc1cccc(C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000748007138 804034431 /nfs/dbraw/zinc/03/44/31/804034431.db2.gz YZMXQXHYAMJPSA-UHFFFAOYSA-N -1 0 311.323 -0.188 20 0 DBADRM CCC[C@@H](CCO)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000748376823 804037890 /nfs/dbraw/zinc/03/78/90/804037890.db2.gz OXKHRVHUYKETAI-JTQLQIEISA-N -1 0 307.354 -0.014 20 0 DBADRM CC(C)OCCOC[C@@H](O)CN(C)C(=O)c1cc(=O)[nH][n-]1 ZINC000748420442 804038740 /nfs/dbraw/zinc/03/87/40/804038740.db2.gz YEWCVYSEGAPYIL-JTQLQIEISA-N -1 0 301.343 -0.877 20 0 DBADRM CCn1c(=O)c2ccccc2n(CC(=O)[N-]OCCOC)c1=O ZINC000748768293 804043780 /nfs/dbraw/zinc/04/37/80/804043780.db2.gz UNJGDLSEOATOSD-UHFFFAOYSA-N -1 0 321.333 -0.123 20 0 DBADRM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000749187039 804048103 /nfs/dbraw/zinc/04/81/03/804048103.db2.gz XGGWZPQKFGEGLN-WPRPVWTQSA-N -1 0 318.337 -0.769 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(=O)[N-]OCC(C)C)cn1C ZINC000750234183 804059586 /nfs/dbraw/zinc/05/95/86/804059586.db2.gz VEJMPXAEGRDXKH-UHFFFAOYSA-N -1 0 304.372 -0.289 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C=C1CCC1 ZINC001281029744 804059732 /nfs/dbraw/zinc/05/97/32/804059732.db2.gz NZSKOWABVOUCIM-QMMMGPOBSA-N -1 0 321.337 -0.030 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cn2ccccc2n1 ZINC000750728733 804064486 /nfs/dbraw/zinc/06/44/86/804064486.db2.gz DYZRPZMBGXEBFA-UHFFFAOYSA-N -1 0 310.335 -0.359 20 0 DBADRM O=C(CCOC[C@H]1CCCO1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750729402 804064796 /nfs/dbraw/zinc/06/47/96/804064796.db2.gz RHMINHXMVSDVBN-LLVKDONJSA-N -1 0 322.383 -0.735 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cnn2cccnc12 ZINC000750727989 804064815 /nfs/dbraw/zinc/06/48/15/804064815.db2.gz HHNQETGEOAUMOJ-UHFFFAOYSA-N -1 0 311.323 -0.964 20 0 DBADRM CC(C)c1nn(C)cc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750730692 804064827 /nfs/dbraw/zinc/06/48/27/804064827.db2.gz QTTDPCNPCNSGTQ-UHFFFAOYSA-N -1 0 316.383 -0.150 20 0 DBADRM NC(=O)COCCNC(=O)CSc1n[n-]c(=S)s1 ZINC000752083639 804085123 /nfs/dbraw/zinc/08/51/23/804085123.db2.gz TVOCPTQCEIHMEL-UHFFFAOYSA-N -1 0 308.410 -0.463 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000752915411 804094811 /nfs/dbraw/zinc/09/48/11/804094811.db2.gz PPHMCLDEULFXAJ-UWVGGRQHSA-N -1 0 310.383 -0.173 20 0 DBADRM COC(=O)C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC000753758531 804108164 /nfs/dbraw/zinc/10/81/64/804108164.db2.gz SJHCHRWZERONTN-JTQLQIEISA-N -1 0 319.321 -0.471 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(Br)cc1 ZINC000753951453 804113997 /nfs/dbraw/zinc/11/39/97/804113997.db2.gz UPTUDKOCNHYZOD-UHFFFAOYSA-N -1 0 321.152 -0.006 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1SCCc2ccccc21 ZINC000753949855 804114214 /nfs/dbraw/zinc/11/42/14/804114214.db2.gz JMTIVJJXIXKNCZ-LLVKDONJSA-N -1 0 314.388 -0.052 20 0 DBADRM CCN(CC)C(=O)CCC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000755343376 804135714 /nfs/dbraw/zinc/13/57/14/804135714.db2.gz DNGILVWQOYNVSA-JTQLQIEISA-N -1 0 310.358 -0.252 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1c(C)cc(C)[nH]c1=O ZINC000755732136 804139902 /nfs/dbraw/zinc/13/99/02/804139902.db2.gz XEHAHXATOSURHF-UHFFFAOYSA-N -1 0 317.367 -0.043 20 0 DBADRM COc1ccc(-n2cc(CNC(=O)c3cc(=O)[nH][n-]3)nn2)cc1 ZINC000755859932 804141737 /nfs/dbraw/zinc/14/17/37/804141737.db2.gz JFJFVLHPMNAYQV-UHFFFAOYSA-N -1 0 314.305 -0.232 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C ZINC000756280983 804147214 /nfs/dbraw/zinc/14/72/14/804147214.db2.gz DAEQVCJQDMKANR-ZETCQYMHSA-N -1 0 303.340 -0.782 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]1CCCO1 ZINC000757332765 804162264 /nfs/dbraw/zinc/16/22/64/804162264.db2.gz CMLMINANYQZOJI-MNOVXSKESA-N -1 0 324.399 -0.490 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000757334709 804163053 /nfs/dbraw/zinc/16/30/53/804163053.db2.gz LAWKDCLORDMPCN-UHFFFAOYSA-N -1 0 309.388 -0.768 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(OC)n1 ZINC000757338009 804163271 /nfs/dbraw/zinc/16/32/71/804163271.db2.gz AYAOADYXFXRRKH-UHFFFAOYSA-N -1 0 303.340 -0.357 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCO[C@@H]2COCC[C@@H]21 ZINC001465117185 804170698 /nfs/dbraw/zinc/17/06/98/804170698.db2.gz XTJRWHOJJBEUEA-YTWAJWBKSA-N -1 0 305.352 -0.331 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)[N-]O[C@@H]1CCCCO1 ZINC000758206944 804174767 /nfs/dbraw/zinc/17/47/67/804174767.db2.gz JLMPAQZJNWDAKL-LLVKDONJSA-N -1 0 310.372 -0.483 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)COc1c(C)nn(C)c1C ZINC000758523832 804189005 /nfs/dbraw/zinc/18/90/05/804189005.db2.gz CBQHRGQFTOOQTN-UHFFFAOYSA-N -1 0 305.356 -0.492 20 0 DBADRM NC(=O)c1csc(C(=O)[N-]S(=O)(=O)c2cnccn2)c1 ZINC000758575803 804190270 /nfs/dbraw/zinc/19/02/70/804190270.db2.gz ASPPWIRMGBASLR-UHFFFAOYSA-N -1 0 312.332 -0.244 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758578749 804190357 /nfs/dbraw/zinc/19/03/57/804190357.db2.gz RKOJOLUCNKTAQQ-QMMMGPOBSA-N -1 0 314.367 -0.168 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnccn1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000758558146 804190600 /nfs/dbraw/zinc/19/06/00/804190600.db2.gz MLVLKHSWWRVVEV-QMMMGPOBSA-N -1 0 310.335 -0.708 20 0 DBADRM O=C(CCCn1ccccc1=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758580276 804190656 /nfs/dbraw/zinc/19/06/56/804190656.db2.gz VNVCAGOTWOOUBZ-UHFFFAOYSA-N -1 0 322.346 -0.076 20 0 DBADRM O=C(CCOC[C@H]1CCCO1)[N-]S(=O)(=O)c1cnccn1 ZINC000758562156 804191037 /nfs/dbraw/zinc/19/10/37/804191037.db2.gz NSDDYSUYXAGBAU-SNVBAGLBSA-N -1 0 315.351 -0.133 20 0 DBADRM C[C@@H](OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)NC(N)=O ZINC000759124698 804199127 /nfs/dbraw/zinc/19/91/27/804199127.db2.gz YHODCJDYJCAXEV-SCSAIBSYSA-N -1 0 313.232 -0.430 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)c1cnn(C)c1)C(=O)C1CC1 ZINC000759188562 804200532 /nfs/dbraw/zinc/20/05/32/804200532.db2.gz WAALTMGDVDOUEF-UHFFFAOYSA-N -1 0 300.340 -0.907 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cccs1 ZINC000759168396 804200743 /nfs/dbraw/zinc/20/07/43/804200743.db2.gz ZSRKDEIXHDWFRS-UHFFFAOYSA-N -1 0 306.365 -0.342 20 0 DBADRM O=C(NOCC(F)F)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000759350975 804202716 /nfs/dbraw/zinc/20/27/16/804202716.db2.gz JGIVAIYSHDXGEL-UHFFFAOYSA-N -1 0 307.278 -0.203 20 0 DBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)C2=COCC2)s1 ZINC000759510532 804204404 /nfs/dbraw/zinc/20/44/04/804204404.db2.gz MWFQBSGPIFFMMB-UHFFFAOYSA-N -1 0 318.336 -0.394 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cccn(C)c2=O)cn1 ZINC000759801858 804209848 /nfs/dbraw/zinc/20/98/48/804209848.db2.gz ALXMDVPPUZSEHI-UHFFFAOYSA-N -1 0 323.330 -0.092 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)cn1 ZINC000759832772 804210139 /nfs/dbraw/zinc/21/01/39/804210139.db2.gz PRLLYTXOQYRTAM-MRVPVSSYSA-N -1 0 313.335 -0.579 20 0 DBADRM CC(C)OC(=O)[C@@H](C)N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000760116572 804220768 /nfs/dbraw/zinc/22/07/68/804220768.db2.gz ZEUGREHSIFKIPA-SECBINFHSA-N -1 0 321.337 -0.130 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000760109924 804220825 /nfs/dbraw/zinc/22/08/25/804220825.db2.gz XSWHFZIMDPYAQN-CQSZACIVSA-N -1 0 319.321 -0.517 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cncc(C(=O)OC)c1 ZINC000760205494 804221640 /nfs/dbraw/zinc/22/16/40/804221640.db2.gz QAPVYJCJZYLBSX-UHFFFAOYSA-N -1 0 302.308 -0.426 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cncc(C(=O)OC)c1 ZINC000760203217 804222006 /nfs/dbraw/zinc/22/20/06/804222006.db2.gz DCONTRFVVXBKDV-UHFFFAOYSA-N -1 0 316.335 -0.036 20 0 DBADRM O=C(CO)N1CCN(C(=O)c2n[n-]c3ccccc3c2=O)CC1 ZINC000760207561 804222600 /nfs/dbraw/zinc/22/26/00/804222600.db2.gz HVWQUMSUFAIDHJ-UHFFFAOYSA-N -1 0 316.317 -0.388 20 0 DBADRM COC[C@H](CCO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760450769 804224114 /nfs/dbraw/zinc/22/41/14/804224114.db2.gz VVWXUMLTMLTXQJ-ZETCQYMHSA-N -1 0 300.277 -0.043 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCCOCCO ZINC000760492745 804225651 /nfs/dbraw/zinc/22/56/51/804225651.db2.gz ROIRLMILPBKMDY-UHFFFAOYSA-N -1 0 300.277 -0.041 20 0 DBADRM CCOC(=O)C[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000760990852 804230244 /nfs/dbraw/zinc/23/02/44/804230244.db2.gz GBJUTDMQXGTZSP-QMMMGPOBSA-N -1 0 307.310 -0.471 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@H](C)C(N)=O)ccc1OCC(=O)[O-] ZINC000761242327 804237752 /nfs/dbraw/zinc/23/77/52/804237752.db2.gz MBXRUSYDMBKAPV-QMMMGPOBSA-N -1 0 316.335 -0.389 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000762148578 804245837 /nfs/dbraw/zinc/24/58/37/804245837.db2.gz JJKUSRFCISSJNC-VHSXEESVSA-N -1 0 316.379 -0.520 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000762640139 804251853 /nfs/dbraw/zinc/25/18/53/804251853.db2.gz CNLGJTMTFMTWSU-UHFFFAOYSA-N -1 0 308.356 -0.731 20 0 DBADRM COC(=O)c1cn([C@H]2CCCN(C(=O)c3cc(=O)[nH][n-]3)C2)nn1 ZINC000762817682 804254639 /nfs/dbraw/zinc/25/46/39/804254639.db2.gz JCLKSZMLHUFCLH-QMMMGPOBSA-N -1 0 320.309 -0.896 20 0 DBADRM C[C@@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000763017285 804259575 /nfs/dbraw/zinc/25/95/75/804259575.db2.gz XVTVOOLSBDZAFT-MWLCHTKSSA-N -1 0 304.368 -0.315 20 0 DBADRM CCc1nn(C)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763450743 804267621 /nfs/dbraw/zinc/26/76/21/804267621.db2.gz IKZLIJZFOZQGDR-UHFFFAOYSA-N -1 0 302.356 -0.822 20 0 DBADRM C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)N1CCSCC1 ZINC000763443826 804268007 /nfs/dbraw/zinc/26/80/07/804268007.db2.gz FQSGTCPILGHCQY-SECBINFHSA-N -1 0 323.440 -0.994 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CCc2n[nH]cc2C1 ZINC000763986291 804277739 /nfs/dbraw/zinc/27/77/39/804277739.db2.gz KURLNAISOZQDIT-VIFPVBQESA-N -1 0 314.367 -0.792 20 0 DBADRM O=C([N-]S(=O)(=O)Cc1ccon1)c1cc2n(n1)CCCO2 ZINC000764010360 804277759 /nfs/dbraw/zinc/27/77/59/804277759.db2.gz JEURZMQPXXNBQC-UHFFFAOYSA-N -1 0 312.307 -0.087 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000764019405 804277773 /nfs/dbraw/zinc/27/77/73/804277773.db2.gz NZJKMMHPVNJQMB-VIFPVBQESA-N -1 0 316.383 -0.546 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2 ZINC000764009341 804277919 /nfs/dbraw/zinc/27/79/19/804277919.db2.gz JIHJRAOEECXKRI-UHFFFAOYSA-N -1 0 302.356 -0.018 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000764155682 804279125 /nfs/dbraw/zinc/27/91/25/804279125.db2.gz KFQNISYMQGOVRE-RKDXNWHRSA-N -1 0 301.368 -0.005 20 0 DBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)C[C@@H](C)OC ZINC000764172199 804279303 /nfs/dbraw/zinc/27/93/03/804279303.db2.gz NSADRLVGNWUUJI-MRVPVSSYSA-N -1 0 313.397 -0.236 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1 ZINC000764188456 804280526 /nfs/dbraw/zinc/28/05/26/804280526.db2.gz TVJPRQWHSJJRDM-QMMMGPOBSA-N -1 0 300.336 -0.120 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)on1 ZINC000764216894 804280760 /nfs/dbraw/zinc/28/07/60/804280760.db2.gz LEGUOZTYASJEBR-ZCFIWIBFSA-N -1 0 306.296 -0.444 20 0 DBADRM CC(C)COC(=O)[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000764337472 804281411 /nfs/dbraw/zinc/28/14/11/804281411.db2.gz PCMDEDLXODLBLC-VIFPVBQESA-N -1 0 321.337 -0.225 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC000764216986 804281616 /nfs/dbraw/zinc/28/16/16/804281616.db2.gz PEHXYGSORPHAIC-BXKDBHETSA-N -1 0 306.384 -0.274 20 0 DBADRM O=C([O-])C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000765031014 804293237 /nfs/dbraw/zinc/29/32/37/804293237.db2.gz MPCISEPVFBUVAA-UHFFFAOYSA-N -1 0 318.273 -0.251 20 0 DBADRM COC(=O)c1coc(C(=O)[N-]S(=O)(=O)c2ccnn2C)c1 ZINC000765652637 804304766 /nfs/dbraw/zinc/30/47/66/804304766.db2.gz RUWFOXZEEKKHDS-UHFFFAOYSA-N -1 0 313.291 -0.082 20 0 DBADRM CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765654194 804305914 /nfs/dbraw/zinc/30/59/14/804305914.db2.gz IYRLMUOAEAFFHQ-UHFFFAOYSA-N -1 0 316.383 -0.080 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccnn2C)CC1 ZINC000765657797 804305924 /nfs/dbraw/zinc/30/59/24/804305924.db2.gz YZIQTNUOZQCBFA-UHFFFAOYSA-N -1 0 301.324 -0.432 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1cnc2c(cnn2C)c1 ZINC000765655131 804306209 /nfs/dbraw/zinc/30/62/09/804306209.db2.gz LSUMRBFGKSTFOI-UHFFFAOYSA-N -1 0 320.334 -0.180 20 0 DBADRM CC(C)n1nccc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000766378642 804316276 /nfs/dbraw/zinc/31/62/76/804316276.db2.gz CICRGNNGHWGJCU-UHFFFAOYSA-N -1 0 302.356 -0.229 20 0 DBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)CC1 ZINC000766858458 804320971 /nfs/dbraw/zinc/32/09/71/804320971.db2.gz REZOFSMCOSMKPU-SECBINFHSA-N -1 0 305.352 -0.045 20 0 DBADRM Cc1cccc2c(CC(=O)[N-]S(=O)(=O)CC(N)=O)c[nH]c21 ZINC000766920549 804321329 /nfs/dbraw/zinc/32/13/29/804321329.db2.gz HMQAAGBALZVWHX-UHFFFAOYSA-N -1 0 309.347 -0.050 20 0 DBADRM Cc1nc(CCCC(=O)[N-]S(=O)(=O)CC(N)=O)cs1 ZINC000766915424 804321643 /nfs/dbraw/zinc/32/16/43/804321643.db2.gz IRMJSPYKJHBWKC-UHFFFAOYSA-N -1 0 305.381 -0.294 20 0 DBADRM CNc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc(Cl)n1 ZINC000766914472 804321888 /nfs/dbraw/zinc/32/18/88/804321888.db2.gz BFDWVDAQWLNKJY-UHFFFAOYSA-N -1 0 306.731 -0.678 20 0 DBADRM C[C@@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766921473 804322045 /nfs/dbraw/zinc/32/20/45/804322045.db2.gz HHFWMKNLNXRRAW-QMMMGPOBSA-N -1 0 302.327 -0.064 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc2nsnc2c1 ZINC000766915202 804322064 /nfs/dbraw/zinc/32/20/64/804322064.db2.gz GLFCUICROGYUCB-UHFFFAOYSA-N -1 0 300.321 -0.764 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000766923741 804322258 /nfs/dbraw/zinc/32/22/58/804322258.db2.gz QVCHLCMRQIHAOY-LLVKDONJSA-N -1 0 312.347 -0.265 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000766922567 804322667 /nfs/dbraw/zinc/32/26/67/804322667.db2.gz FGZYVVOXZCHMSH-UHFFFAOYSA-N -1 0 311.319 -0.884 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)COc1ccc2c(c1)CCC2 ZINC000766924255 804322685 /nfs/dbraw/zinc/32/26/85/804322685.db2.gz DNDUWDBNCJQBJQ-UHFFFAOYSA-N -1 0 312.347 -0.515 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CSc1ccc(F)cc1 ZINC000766926444 804323179 /nfs/dbraw/zinc/32/31/79/804323179.db2.gz FLMYLDRACURURW-UHFFFAOYSA-N -1 0 306.340 -0.151 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000766924887 804323727 /nfs/dbraw/zinc/32/37/27/804323727.db2.gz PNZDGACBRDALEA-NKWVEPMBSA-N -1 0 318.301 0.000 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CSc2ccccc21 ZINC000766925691 804323756 /nfs/dbraw/zinc/32/37/56/804323756.db2.gz RXGWAZRDFKLPSZ-QMMMGPOBSA-N -1 0 300.361 -0.193 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000766928587 804323977 /nfs/dbraw/zinc/32/39/77/804323977.db2.gz HZQYTZKMTKUQKZ-UHFFFAOYSA-N -1 0 322.346 -0.654 20 0 DBADRM Cc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)nn1C(C)(C)C ZINC000766929869 804324266 /nfs/dbraw/zinc/32/42/66/804324266.db2.gz UUWMWAUZRWCUAG-UHFFFAOYSA-N -1 0 302.356 -0.509 20 0 DBADRM C[C@@H](Oc1ccccc1F)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766928494 804324303 /nfs/dbraw/zinc/32/43/03/804324303.db2.gz RVQUGMVXLDVYKT-SSDOTTSWSA-N -1 0 304.299 -0.476 20 0 DBADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCC(=O)NCCNC(C)=O ZINC000767056748 804325961 /nfs/dbraw/zinc/32/59/61/804325961.db2.gz VLOKZHUKIOWSRM-CQSZACIVSA-N -1 0 315.370 -0.222 20 0 DBADRM C[C@H](CO[N-]C(=O)Cn1cnnn1)NC(=O)OC(C)(C)C ZINC000767179243 804327649 /nfs/dbraw/zinc/32/76/49/804327649.db2.gz RUKHMPMHHIAITR-MRVPVSSYSA-N -1 0 300.319 -0.366 20 0 DBADRM COCc1ccccc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC000767839657 804335170 /nfs/dbraw/zinc/33/51/70/804335170.db2.gz VCKKPBCRPIGBHN-UHFFFAOYSA-N -1 0 313.335 -0.080 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC000767842439 804335211 /nfs/dbraw/zinc/33/52/11/804335211.db2.gz IMFLBWCBKSRJME-UHFFFAOYSA-N -1 0 321.746 -0.531 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cc(OC(F)F)n(C)n1 ZINC000767991209 804337021 /nfs/dbraw/zinc/33/70/21/804337021.db2.gz OTOZNFGFLHQTES-UHFFFAOYSA-N -1 0 312.298 -0.052 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000768213238 804337653 /nfs/dbraw/zinc/33/76/53/804337653.db2.gz QXKZYPANHDSBED-UHFFFAOYSA-N -1 0 318.351 -0.892 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cccn(C)c1=O ZINC000768216742 804337848 /nfs/dbraw/zinc/33/78/48/804337848.db2.gz MEEJFEHCYCWYKF-UHFFFAOYSA-N -1 0 318.351 -0.892 20 0 DBADRM CON(C)C(=O)[C@H](CCSC)NC(=O)c1cc(=O)[nH][n-]1 ZINC000768257781 804338176 /nfs/dbraw/zinc/33/81/76/804338176.db2.gz TUGMRAZTKFRNJN-ZETCQYMHSA-N -1 0 302.356 -0.880 20 0 DBADRM O=C(CNC(=O)c1ccccc1)[N-]S(=O)(=O)c1cnccn1 ZINC000768813011 804343458 /nfs/dbraw/zinc/34/34/58/804343458.db2.gz SWBGXRJBFIULMG-UHFFFAOYSA-N -1 0 320.330 -0.289 20 0 DBADRM C/C(=C\C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001282931362 804344984 /nfs/dbraw/zinc/34/49/84/804344984.db2.gz NDIWSXIDMFIHDH-SOFGYWHQSA-N -1 0 309.326 -0.722 20 0 DBADRM CC/C=C(\C)C(=O)NCCNC(=O)c1cnc([O-])n(C)c1=O ZINC001282933048 804345552 /nfs/dbraw/zinc/34/55/52/804345552.db2.gz MAGOZWBZHXQXJR-WEVVVXLNSA-N -1 0 308.338 -0.312 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCC(=O)[C@H]1CCCOC1 ZINC000769103348 804346864 /nfs/dbraw/zinc/34/68/64/804346864.db2.gz SVKJFHOTEPLWBI-VIFPVBQESA-N -1 0 320.305 -0.390 20 0 DBADRM C[C@](O)(CNC(=O)CN1c2ccccc2OCCC1=O)C(=O)[O-] ZINC000769744993 804352065 /nfs/dbraw/zinc/35/20/65/804352065.db2.gz UNZDUFQMQAILQP-HNNXBMFYSA-N -1 0 322.317 -0.246 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccn(CCOC)n2)C1=O ZINC000769838715 804354308 /nfs/dbraw/zinc/35/43/08/804354308.db2.gz PAQIUNVJOLPLQK-CYBMUJFWSA-N -1 0 309.326 -0.105 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cccnc1OC ZINC000770149820 804359068 /nfs/dbraw/zinc/35/90/68/804359068.db2.gz PCNSJKLCCWIJTC-UHFFFAOYSA-N -1 0 303.340 -0.357 20 0 DBADRM CCC(=CC(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O)CC ZINC001282970685 804362584 /nfs/dbraw/zinc/36/25/84/804362584.db2.gz PTCUCVVPQNWEKE-UHFFFAOYSA-N -1 0 309.326 -0.125 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cc(-n3cccn3)ccn2)C1=O ZINC000770456082 804363750 /nfs/dbraw/zinc/36/37/50/804363750.db2.gz YCEUWSNOJCQIHC-UHFFFAOYSA-N -1 0 300.278 -0.194 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cn1 ZINC000770456718 804364259 /nfs/dbraw/zinc/36/42/59/804364259.db2.gz FMHXWHGTGLUZTI-UHFFFAOYSA-N -1 0 313.295 -0.830 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(=O)[n-]c(OC)n1 ZINC000770522069 804365220 /nfs/dbraw/zinc/36/52/20/804365220.db2.gz ZIYJPFMTJMTAHO-ZCFIWIBFSA-N -1 0 312.282 -0.418 20 0 DBADRM COc1nc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)cc(=O)[n-]1 ZINC000770511391 804365424 /nfs/dbraw/zinc/36/54/24/804365424.db2.gz NJYMTEMMIZRPAY-MRVPVSSYSA-N -1 0 312.282 -0.433 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O ZINC000770618512 804366758 /nfs/dbraw/zinc/36/67/58/804366758.db2.gz VGEWNIIMSUUGRE-UHFFFAOYSA-N -1 0 300.402 -0.486 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)C(C)C ZINC000770835842 804370834 /nfs/dbraw/zinc/37/08/34/804370834.db2.gz STFLDTFLILGMGH-SNVBAGLBSA-N -1 0 317.367 -0.400 20 0 DBADRM CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)CCOCCOC ZINC000771303669 804375428 /nfs/dbraw/zinc/37/54/28/804375428.db2.gz STHCUINCKKWNPB-UHFFFAOYSA-N -1 0 319.383 -0.295 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1C ZINC000771519690 804376694 /nfs/dbraw/zinc/37/66/94/804376694.db2.gz SNXZNZGATZTZOM-CBAPKCEASA-N -1 0 317.367 -0.014 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H](CO)c1ccsc1 ZINC000771538426 804377886 /nfs/dbraw/zinc/37/78/86/804377886.db2.gz WHSOYMPMHGJLKX-SNVBAGLBSA-N -1 0 319.346 -0.018 20 0 DBADRM CCCC[C@@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)CCOC ZINC000771602666 804378583 /nfs/dbraw/zinc/37/85/83/804378583.db2.gz QXMLAYSGQOLVLM-SNVBAGLBSA-N -1 0 323.415 -0.043 20 0 DBADRM Cc1sc2ncn(CC(=O)[N-]OCC(N)=O)c(=O)c2c1C ZINC000772924084 804393128 /nfs/dbraw/zinc/39/31/28/804393128.db2.gz ANDYCKRLOVASCJ-UHFFFAOYSA-N -1 0 310.335 -0.392 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)NOCC(N)=O)cc2[n-]c1=S ZINC000772933417 804394557 /nfs/dbraw/zinc/39/45/57/804394557.db2.gz OPMDTSBHCCMFFE-UHFFFAOYSA-N -1 0 308.319 -0.631 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)COC)C1 ZINC000772978730 804395377 /nfs/dbraw/zinc/39/53/77/804395377.db2.gz LZEIHWPDGUVXRC-NXEZZACHSA-N -1 0 306.384 -0.274 20 0 DBADRM COCC(=O)N[C@H](C(=O)NCCc1n[n-]c(=S)o1)C(C)C ZINC000773087064 804396338 /nfs/dbraw/zinc/39/63/38/804396338.db2.gz MUPHMEDABHRHFG-JTQLQIEISA-N -1 0 316.383 -0.196 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)Cc2ccoc2)cc1C(N)=O ZINC000773946822 804409713 /nfs/dbraw/zinc/40/97/13/804409713.db2.gz MSHGCHKJVPWSJH-UHFFFAOYSA-N -1 0 311.319 -0.235 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)c1Cl ZINC000774021744 804412284 /nfs/dbraw/zinc/41/22/84/804412284.db2.gz JECIDQBGTYOOPY-ZCFIWIBFSA-N -1 0 320.758 -0.643 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)Cc1ccnn1C ZINC000774026929 804412674 /nfs/dbraw/zinc/41/26/74/804412674.db2.gz AKDOWEAQZXYTPD-UHFFFAOYSA-N -1 0 311.367 -0.182 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccnc(-n2ccnc2)c1 ZINC000774083221 804413073 /nfs/dbraw/zinc/41/30/73/804413073.db2.gz CCVSVLFQFNIDDS-UHFFFAOYSA-N -1 0 310.335 -0.027 20 0 DBADRM Cn1nccc1CC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000774069369 804413949 /nfs/dbraw/zinc/41/39/49/804413949.db2.gz GFHDVWUJGXWUPZ-LLVKDONJSA-N -1 0 301.368 -0.022 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CN1CCN(c2ccccn2)CC1 ZINC000774073886 804413956 /nfs/dbraw/zinc/41/39/56/804413956.db2.gz BKDQXJZCOUKCRK-UHFFFAOYSA-N -1 0 312.395 -0.331 20 0 DBADRM O=C(CCCCc1c[nH]nn1)[N-]S(=O)(=O)N1CCOCC1 ZINC000774111200 804415324 /nfs/dbraw/zinc/41/53/24/804415324.db2.gz UHUQCUHINLBEHZ-UHFFFAOYSA-N -1 0 317.371 -0.789 20 0 DBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)c(=O)c1 ZINC000774164742 804416733 /nfs/dbraw/zinc/41/67/33/804416733.db2.gz XESNIJGBSPJDMJ-NSHDSACASA-N -1 0 314.363 -0.361 20 0 DBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)c(=O)c1 ZINC000774185384 804417587 /nfs/dbraw/zinc/41/75/87/804417587.db2.gz BHRLZTMAPGFTIB-NSHDSACASA-N -1 0 314.363 -0.218 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)Cn1ccc(C)cc1=O ZINC000774269264 804420656 /nfs/dbraw/zinc/42/06/56/804420656.db2.gz YBAXXOSMKBCTMY-JTQLQIEISA-N -1 0 302.352 -0.362 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)C1CCC1 ZINC000774285354 804420725 /nfs/dbraw/zinc/42/07/25/804420725.db2.gz ZSNGNHTUPIJZPE-SECBINFHSA-N -1 0 310.397 -0.591 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)cn1 ZINC000774371524 804421563 /nfs/dbraw/zinc/42/15/63/804421563.db2.gz SXXSVYYBYYQTOZ-UHFFFAOYSA-N -1 0 309.250 -0.772 20 0 DBADRM CC(C)(C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001283135771 804427683 /nfs/dbraw/zinc/42/76/83/804427683.db2.gz QGILXKNCDUFMSG-UHFFFAOYSA-N -1 0 311.342 -0.642 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001283171787 804439456 /nfs/dbraw/zinc/43/94/56/804439456.db2.gz GQPUWLFJEYSEID-IUCAKERBSA-N -1 0 323.353 -0.506 20 0 DBADRM COCCOc1ncccc1C(=O)[N-]N1CC(=O)N(C)C1=O ZINC000776245507 804453051 /nfs/dbraw/zinc/45/30/51/804453051.db2.gz OIBYLQYMGDDROL-UHFFFAOYSA-N -1 0 308.294 -0.354 20 0 DBADRM C[C@H](CNS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776451744 804455666 /nfs/dbraw/zinc/45/56/66/804455666.db2.gz ULKSLPRLSXIQAY-SECBINFHSA-N -1 0 308.356 -0.620 20 0 DBADRM CC(C)COC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000776385369 804455711 /nfs/dbraw/zinc/45/57/11/804455711.db2.gz DAFKNTGVSKTVNY-UHFFFAOYSA-N -1 0 308.294 -0.186 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000776511677 804456935 /nfs/dbraw/zinc/45/69/35/804456935.db2.gz FBBRYMVQQCBBOS-SECBINFHSA-N -1 0 301.276 -0.919 20 0 DBADRM Cc1cc(S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)c(C)o1 ZINC000776565564 804458048 /nfs/dbraw/zinc/45/80/48/804458048.db2.gz GAWUNYJCCKYPFM-UHFFFAOYSA-N -1 0 324.380 -0.407 20 0 DBADRM CN1CC[C@H](C(=O)N2CCSC[C@H]2c2nnn[n-]2)CC1=O ZINC000776562320 804458192 /nfs/dbraw/zinc/45/81/92/804458192.db2.gz BVNFZLLZUKTAAR-IUCAKERBSA-N -1 0 310.383 -0.315 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000776537377 804458848 /nfs/dbraw/zinc/45/88/48/804458848.db2.gz DOLFBXIQTABTQA-LURJTMIESA-N -1 0 319.726 -0.289 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1cccc2nonc21 ZINC000776588272 804459534 /nfs/dbraw/zinc/45/95/34/804459534.db2.gz QDSBMVFHRKZADY-UHFFFAOYSA-N -1 0 301.280 -0.398 20 0 DBADRM Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)[N-]OCCO)C2=O)cc1 ZINC000776583721 804459625 /nfs/dbraw/zinc/45/96/25/804459625.db2.gz DTEAFGILYCINMR-OAHLLOKOSA-N -1 0 321.333 -0.198 20 0 DBADRM CCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1 ZINC000776601130 804460533 /nfs/dbraw/zinc/46/05/33/804460533.db2.gz LAMPOIZUYQVHHQ-MNOVXSKESA-N -1 0 302.352 -0.041 20 0 DBADRM O=C([O-])[C@@H](CC1CCOCC1)NS(=O)(=O)[C@H]1CCOC1 ZINC000776603161 804460653 /nfs/dbraw/zinc/46/06/53/804460653.db2.gz UPSSAUROMJJLQG-WDEREUQCSA-N -1 0 307.368 -0.035 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-] ZINC000776626554 804460764 /nfs/dbraw/zinc/46/07/64/804460764.db2.gz NRRSKLJOZKGEQY-VIFPVBQESA-N -1 0 315.303 -0.265 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)N(C)C2CC2)C(=O)[O-])c1 ZINC000776644327 804460801 /nfs/dbraw/zinc/46/08/01/804460801.db2.gz LACHGSMSRAMTIS-JTQLQIEISA-N -1 0 302.356 -0.427 20 0 DBADRM CC(C)N(C)S(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000776634613 804460810 /nfs/dbraw/zinc/46/08/10/804460810.db2.gz ATFODQKZCLYBAX-LLVKDONJSA-N -1 0 318.399 -0.162 20 0 DBADRM COCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC000776602028 804460832 /nfs/dbraw/zinc/46/08/32/804460832.db2.gz YABLPAHRCNSHDL-GHMZBOCLSA-N -1 0 303.336 -0.261 20 0 DBADRM CC(C)N(C)S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000776636662 804460868 /nfs/dbraw/zinc/46/08/68/804460868.db2.gz UZXSUCZJVQPDRX-SECBINFHSA-N -1 0 307.372 -0.906 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000776684677 804461624 /nfs/dbraw/zinc/46/16/24/804461624.db2.gz CDTCKJWUQHNYRZ-RKDXNWHRSA-N -1 0 315.351 -0.572 20 0 DBADRM CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000776679753 804461688 /nfs/dbraw/zinc/46/16/88/804461688.db2.gz QFMRTOMHQDFIAM-QMMMGPOBSA-N -1 0 301.386 -0.456 20 0 DBADRM CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)CCS(C)(=O)=O ZINC000776715246 804461761 /nfs/dbraw/zinc/46/17/61/804461761.db2.gz AXELJZSANBSGSX-DTWKUNHWSA-N -1 0 315.413 -0.208 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(S(=O)(=O)[C@@H]1CCOC1)CC2 ZINC000776717859 804463498 /nfs/dbraw/zinc/46/34/98/804463498.db2.gz XTTGLYNFIDMFQW-SECBINFHSA-N -1 0 318.351 -0.199 20 0 DBADRM NC(=O)c1cc([N-]S(=O)(=O)c2cccc3c2COC3=O)[nH]n1 ZINC000778085086 804479057 /nfs/dbraw/zinc/47/90/57/804479057.db2.gz LVNFKIWDFRAUCQ-UHFFFAOYSA-N -1 0 322.302 -0.020 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCNC(=O)C1(CF)CC1 ZINC001283308604 804481471 /nfs/dbraw/zinc/48/14/71/804481471.db2.gz HDQDBOFOKQIXES-UHFFFAOYSA-N -1 0 315.305 -0.939 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)c1Cl ZINC000778620476 804485199 /nfs/dbraw/zinc/48/51/99/804485199.db2.gz QXFWMWZDWQVPMR-UHFFFAOYSA-N -1 0 322.774 -0.789 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)cn1 ZINC000778665605 804486403 /nfs/dbraw/zinc/48/64/03/804486403.db2.gz PWBQFAMJTRBGLA-UHFFFAOYSA-N -1 0 302.356 -0.960 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)C(C)(C)OC)c(C)nn1C ZINC000778850971 804489826 /nfs/dbraw/zinc/48/98/26/804489826.db2.gz WZYIMYGIMCIIFM-UHFFFAOYSA-N -1 0 305.356 -0.033 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)C[C@H](C)OC)c(C)nn1C ZINC000778848184 804489867 /nfs/dbraw/zinc/48/98/67/804489867.db2.gz KLOQVBHGBDYXDB-ZETCQYMHSA-N -1 0 305.356 -0.033 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)COCC2CC2)c(C)nn1C ZINC000778860690 804491200 /nfs/dbraw/zinc/49/12/00/804491200.db2.gz WASGZNLBZMJFNJ-UHFFFAOYSA-N -1 0 317.367 -0.031 20 0 DBADRM CCCOCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC ZINC000778860872 804491480 /nfs/dbraw/zinc/49/14/80/804491480.db2.gz ZITHMKQXXBXWQA-UHFFFAOYSA-N -1 0 305.356 -0.031 20 0 DBADRM CN(CCOCCNC(=O)c1cnn(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001283359739 804491904 /nfs/dbraw/zinc/49/19/04/804491904.db2.gz UFZFUKNWAVXPRY-UHFFFAOYSA-N -1 0 323.357 -0.878 20 0 DBADRM CN(CCOCCNC(=O)c1ncc[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001283374179 804496133 /nfs/dbraw/zinc/49/61/33/804496133.db2.gz HGGWVVQLPPNYBZ-UHFFFAOYSA-N -1 0 309.330 -0.888 20 0 DBADRM CCC1(CC)CN(C(=O)c2cc(=O)[nH][n-]2)CCS1(=O)=O ZINC000779666243 804505517 /nfs/dbraw/zinc/50/55/17/804505517.db2.gz QZPITIWTVGSHIW-UHFFFAOYSA-N -1 0 301.368 -0.322 20 0 DBADRM CCCNC(=O)CCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000780317270 804513324 /nfs/dbraw/zinc/51/33/24/804513324.db2.gz NCJVEMJSPJJGHK-UHFFFAOYSA-N -1 0 309.326 -0.334 20 0 DBADRM Cc1cnn(CCC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1 ZINC000780316228 804513793 /nfs/dbraw/zinc/51/37/93/804513793.db2.gz ALQATIJLLVFONI-UHFFFAOYSA-N -1 0 304.310 -0.045 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000780319339 804513967 /nfs/dbraw/zinc/51/39/67/804513967.db2.gz PNRTZJAHSWXAEG-UHFFFAOYSA-N -1 0 316.339 -0.816 20 0 DBADRM CC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)CCO1 ZINC000780393735 804514597 /nfs/dbraw/zinc/51/45/97/804514597.db2.gz YJWCTICPVJHJCC-QWRGUYRKSA-N -1 0 306.384 -0.115 20 0 DBADRM O=C([O-])CNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000780650335 804517265 /nfs/dbraw/zinc/51/72/65/804517265.db2.gz PMJLMZRHEXDAMN-UHFFFAOYSA-N -1 0 305.356 -0.673 20 0 DBADRM O=C(CCn1ccccc1=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780624025 804517790 /nfs/dbraw/zinc/51/77/90/804517790.db2.gz JRDUWXDOVPYMQQ-LLVKDONJSA-N -1 0 314.363 -0.137 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NCCOC[C@H]1CCCO1 ZINC000780578602 804517801 /nfs/dbraw/zinc/51/78/01/804517801.db2.gz XFRCCJXQZUPRLZ-LLVKDONJSA-N -1 0 304.343 -0.075 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)NC(C)(C)C(=O)[O-])CC2 ZINC000780658295 804518445 /nfs/dbraw/zinc/51/84/45/804518445.db2.gz VIWNIMBLYRHDPS-MRVPVSSYSA-N -1 0 311.342 -0.098 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N(CC(=O)[O-])C1CC1 ZINC000780697507 804518691 /nfs/dbraw/zinc/51/86/91/804518691.db2.gz VPZVJWRVNCAXHX-SNVBAGLBSA-N -1 0 319.383 -0.331 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC000780694168 804518715 /nfs/dbraw/zinc/51/87/15/804518715.db2.gz FPMKDZBYJIWUAO-ZJUUUORDSA-N -1 0 319.383 -0.474 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCN(C)C(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC001283524164 804520899 /nfs/dbraw/zinc/52/08/99/804520899.db2.gz SCIIRAXFYODRDS-SECBINFHSA-N -1 0 323.353 -0.719 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)on1 ZINC000781466113 804529010 /nfs/dbraw/zinc/52/90/10/804529010.db2.gz KDIZFEAKUITSFD-SSDOTTSWSA-N -1 0 318.307 -0.443 20 0 DBADRM Cc1noc(CCC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)n1 ZINC000781511808 804530055 /nfs/dbraw/zinc/53/00/55/804530055.db2.gz FPQQGHTZRTWAHC-SECBINFHSA-N -1 0 303.340 -0.064 20 0 DBADRM COC1CCC(C(=O)[N-]S(=O)(=O)N2CCOCC2)CC1 ZINC000781486281 804530195 /nfs/dbraw/zinc/53/01/95/804530195.db2.gz CQMAZAQXAFRXQT-UHFFFAOYSA-N -1 0 306.384 -0.115 20 0 DBADRM CCn1cc(CC(=O)[N-]S(=O)(=O)CCOCCOC)cn1 ZINC000781516258 804531134 /nfs/dbraw/zinc/53/11/34/804531134.db2.gz OSCREVCWZNMSOO-UHFFFAOYSA-N -1 0 319.383 -0.446 20 0 DBADRM CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2cnnn2C)nn1C ZINC000781729297 804533490 /nfs/dbraw/zinc/53/34/90/804533490.db2.gz NMHMQXDCSAIHIT-UHFFFAOYSA-N -1 0 312.355 -0.209 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1CSCCS1 ZINC000781738074 804534733 /nfs/dbraw/zinc/53/47/33/804534733.db2.gz MAEIBECTFYYQOV-LURJTMIESA-N -1 0 308.410 -0.531 20 0 DBADRM COC1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)CCC1 ZINC000781751574 804535809 /nfs/dbraw/zinc/53/58/09/804535809.db2.gz ROCIMKHVVXWAPE-UHFFFAOYSA-N -1 0 315.351 -0.502 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@@H]1CC12CC2 ZINC001283604929 804536811 /nfs/dbraw/zinc/53/68/11/804536811.db2.gz YDHBPYOXFMEJKJ-QMMMGPOBSA-N -1 0 321.337 -0.339 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NN1Cc2ccccc2C1=O ZINC000782068952 804539104 /nfs/dbraw/zinc/53/91/04/804539104.db2.gz JOXDYSBHIAMOMZ-UHFFFAOYSA-N -1 0 324.300 -0.242 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]N2CN=NC2=O)co1 ZINC000782126832 804540578 /nfs/dbraw/zinc/54/05/78/804540578.db2.gz FOYSRMCHNASQQQ-UHFFFAOYSA-N -1 0 301.284 -0.789 20 0 DBADRM O=C(OCCOCC[N-]C(=O)C(F)(F)F)[C@@H]1COCCO1 ZINC000782648756 804552888 /nfs/dbraw/zinc/55/28/88/804552888.db2.gz INMPZVUFSIUEPA-QMMMGPOBSA-N -1 0 315.244 -0.360 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccccn1)c1cnc2n[nH]nc2c1 ZINC000783097973 804561037 /nfs/dbraw/zinc/56/10/37/804561037.db2.gz RARIGYXPQPBUPB-UHFFFAOYSA-N -1 0 304.291 -0.133 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1cnc2n[nH]nc2c1 ZINC000783124386 804561628 /nfs/dbraw/zinc/56/16/28/804561628.db2.gz MZGXONBOUCZDHN-MRVPVSSYSA-N -1 0 311.323 -0.409 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1nccs1 ZINC000783127344 804562156 /nfs/dbraw/zinc/56/21/56/804562156.db2.gz KBSIUTSWAWUCFU-ZETCQYMHSA-N -1 0 318.380 -0.957 20 0 DBADRM Cc1nonc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000783600001 804567312 /nfs/dbraw/zinc/56/73/12/804567312.db2.gz HZXCSSRZISXSTJ-UHFFFAOYSA-N -1 0 318.336 -0.174 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)n1 ZINC000784509696 804581684 /nfs/dbraw/zinc/58/16/84/804581684.db2.gz DPXAAAACJINHNY-VIFPVBQESA-N -1 0 303.340 -0.622 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C ZINC000784872285 804589394 /nfs/dbraw/zinc/58/93/94/804589394.db2.gz OELJFNSYDYSRTH-QMMMGPOBSA-N -1 0 306.340 -0.994 20 0 DBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000785095080 804591872 /nfs/dbraw/zinc/59/18/72/804591872.db2.gz OVAWAPWARKAULJ-RKDXNWHRSA-N -1 0 312.413 -0.345 20 0 DBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000785239623 804593986 /nfs/dbraw/zinc/59/39/86/804593986.db2.gz RDRUVOCTVOCJSP-UHFFFAOYSA-N -1 0 309.340 -0.184 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000785359101 804597153 /nfs/dbraw/zinc/59/71/53/804597153.db2.gz VPDXRRYIIPYGNR-UHFFFAOYSA-N -1 0 305.294 -0.423 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1 ZINC000785358039 804597762 /nfs/dbraw/zinc/59/77/62/804597762.db2.gz YYSUGOCXSCKIED-UHFFFAOYSA-N -1 0 315.351 -0.097 20 0 DBADRM CCN(CC)c1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cn1 ZINC000785385014 804597814 /nfs/dbraw/zinc/59/78/14/804597814.db2.gz KHFUGBLDQXMFLD-UHFFFAOYSA-N -1 0 309.326 -0.601 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000785390137 804598642 /nfs/dbraw/zinc/59/86/42/804598642.db2.gz YGJQCAYPCJFSPV-UHFFFAOYSA-N -1 0 303.278 -0.452 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccccc1OC(F)F ZINC000785389373 804598720 /nfs/dbraw/zinc/59/87/20/804598720.db2.gz RFWKAVHHYGZDPZ-UHFFFAOYSA-N -1 0 303.221 -0.240 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccccc1N1CCCC1 ZINC000785387255 804598790 /nfs/dbraw/zinc/59/87/90/804598790.db2.gz AJQWQADNWKMKMU-UHFFFAOYSA-N -1 0 306.322 -0.242 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCOc1ccc(OC)cc1 ZINC000785563286 804600681 /nfs/dbraw/zinc/60/06/81/804600681.db2.gz ZWKVZVFKRSIRSG-UHFFFAOYSA-N -1 0 312.322 -0.116 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cn2ccnc2s1 ZINC000785889988 804607045 /nfs/dbraw/zinc/60/70/45/804607045.db2.gz SKMRNUVTGQWVFM-UHFFFAOYSA-N -1 0 318.380 -0.051 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)c1cn(Cc2noc(C)n2)nn1 ZINC000786422233 804615085 /nfs/dbraw/zinc/61/50/85/804615085.db2.gz KIPOPDPKFQYIIV-UHFFFAOYSA-N -1 0 314.327 -0.513 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000786961643 804626611 /nfs/dbraw/zinc/62/66/11/804626611.db2.gz SKQMMFKDOMPQDI-VHSXEESVSA-N -1 0 305.400 -0.019 20 0 DBADRM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)[N-]OCCO)C1=O ZINC000787292259 804632199 /nfs/dbraw/zinc/63/21/99/804632199.db2.gz KLQSZISLAZMSEX-AWEZNQCLSA-N -1 0 307.306 -0.506 20 0 DBADRM Cc1ccc(S(=O)(=O)N(C)CC(=O)[N-]OCCO)cc1C ZINC000787295854 804632782 /nfs/dbraw/zinc/63/27/82/804632782.db2.gz JBZNISAPFOMFCL-UHFFFAOYSA-N -1 0 316.379 -0.036 20 0 DBADRM CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)[N-]OCCO ZINC000787293721 804632804 /nfs/dbraw/zinc/63/28/04/804632804.db2.gz KGGNSBVZTYANLI-NSHDSACASA-N -1 0 306.326 -0.685 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H]1C ZINC000787511018 804635248 /nfs/dbraw/zinc/63/52/48/804635248.db2.gz DBXPGWYINXOHNG-DTWKUNHWSA-N -1 0 319.321 -0.519 20 0 DBADRM COc1nc(C(=O)OCc2nc(-c3nc[nH]n3)no2)cc(=O)[n-]1 ZINC000787798712 804642339 /nfs/dbraw/zinc/64/23/39/804642339.db2.gz WKMXAIAQPUENRT-UHFFFAOYSA-N -1 0 319.237 -0.284 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000787930583 804646299 /nfs/dbraw/zinc/64/62/99/804646299.db2.gz GERZGPZASOXUAZ-ZETCQYMHSA-N -1 0 315.289 -0.305 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc2nccn21 ZINC000788178407 804652733 /nfs/dbraw/zinc/65/27/33/804652733.db2.gz WMFKKHNVFCEXRC-UHFFFAOYSA-N -1 0 310.335 -0.470 20 0 DBADRM NC(=O)c1ccc(CC(=O)[N-]S(=O)(=O)c2cnccn2)cc1 ZINC000788185781 804653041 /nfs/dbraw/zinc/65/30/41/804653041.db2.gz FYOOTNCVKQCJCZ-UHFFFAOYSA-N -1 0 320.330 -0.377 20 0 DBADRM CNC(=O)[C@@H](O)CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000788179077 804653370 /nfs/dbraw/zinc/65/33/70/804653370.db2.gz YCKSSDXMIARHSX-VIFPVBQESA-N -1 0 322.346 -0.539 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]OC[C@H]1CCOC1 ZINC000788273011 804654859 /nfs/dbraw/zinc/65/48/59/804654859.db2.gz HOSUHCKBRGKRDM-QWRGUYRKSA-N -1 0 306.384 -0.115 20 0 DBADRM O=C([O-])/C=C/CNS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000788444435 804661393 /nfs/dbraw/zinc/66/13/93/804661393.db2.gz BFBJVHFLFZNDEI-OWOJBTEDSA-N -1 0 309.307 -0.419 20 0 DBADRM C[C@H]1OCCN(S(=O)(=O)c2cnc(Cl)n2C)[C@@H]1C(=O)[O-] ZINC000788455088 804661540 /nfs/dbraw/zinc/66/15/40/804661540.db2.gz WRRLYTHGUWYRMZ-SVRRBLITSA-N -1 0 323.758 -0.064 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cn(C)c(Cl)n1)CC(=O)[O-] ZINC000788699031 804666356 /nfs/dbraw/zinc/66/63/56/804666356.db2.gz QKDPQNVBSAZVAU-ZCFIWIBFSA-N -1 0 311.747 -0.159 20 0 DBADRM CCOC1CC(CC(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000789380024 804672637 /nfs/dbraw/zinc/67/26/37/804672637.db2.gz DNGRBJOPVJKWER-UHFFFAOYSA-N -1 0 306.384 -0.115 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000789588717 804675014 /nfs/dbraw/zinc/67/50/14/804675014.db2.gz BQTNUJAXAMWYLC-LLVKDONJSA-N -1 0 310.354 -0.002 20 0 DBADRM CC(C)(C)c1cnc(NC(=O)C(=O)[N-]OCC(N)=O)s1 ZINC000789776399 804676105 /nfs/dbraw/zinc/67/61/05/804676105.db2.gz OQJQGMJSZHPRHW-UHFFFAOYSA-N -1 0 300.340 -0.088 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000789792181 804676525 /nfs/dbraw/zinc/67/65/25/804676525.db2.gz ZJOZZDDRHGBRKF-UHFFFAOYSA-N -1 0 302.356 -0.233 20 0 DBADRM COc1cc(NC(=O)C(=O)[N-]OCC(N)=O)ccc1Cl ZINC000789777657 804676621 /nfs/dbraw/zinc/67/66/21/804676621.db2.gz ZVSFZBQFEOCHMD-UHFFFAOYSA-N -1 0 301.686 -0.180 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000789827196 804677770 /nfs/dbraw/zinc/67/77/70/804677770.db2.gz OMEBDVBVBXDZHV-UHFFFAOYSA-N -1 0 309.278 -0.236 20 0 DBADRM CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(=O)[nH][n-]1 ZINC000789921293 804680135 /nfs/dbraw/zinc/68/01/35/804680135.db2.gz KXZWEWHJHDGEML-NSHDSACASA-N -1 0 304.306 -0.452 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC1(CO)COC1 ZINC000789994682 804681442 /nfs/dbraw/zinc/68/14/42/804681442.db2.gz ZMPDHYQOOPRGPI-QMMMGPOBSA-N -1 0 312.288 -0.185 20 0 DBADRM CS(=O)(=O)CC[C@@H](C(=O)[N-]OCC(N)=O)c1ccccc1 ZINC000790009876 804682122 /nfs/dbraw/zinc/68/21/22/804682122.db2.gz BEEMALAGKMVDHD-LLVKDONJSA-N -1 0 314.363 -0.262 20 0 DBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)c1 ZINC000790777246 804695711 /nfs/dbraw/zinc/69/57/11/804695711.db2.gz CJJLJUPXSUMONG-UHFFFAOYSA-N -1 0 313.335 -0.946 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1(=O)=O ZINC000791829655 804709130 /nfs/dbraw/zinc/70/91/30/804709130.db2.gz KKJYNFMIADMAFL-VIFPVBQESA-N -1 0 312.413 -0.344 20 0 DBADRM COc1cncc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)n1 ZINC000791853965 804709589 /nfs/dbraw/zinc/70/95/89/804709589.db2.gz XWISJQLXSVRSCH-QMMMGPOBSA-N -1 0 301.324 -0.419 20 0 DBADRM C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)[N-]OCCO ZINC000792334067 804715517 /nfs/dbraw/zinc/71/55/17/804715517.db2.gz ZIWRBHPPGGDERN-NSHDSACASA-N -1 0 324.255 -0.342 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)C1(OC)CCOCC1 ZINC000793146919 804724811 /nfs/dbraw/zinc/72/48/11/804724811.db2.gz IOJPOGZZMVOBTE-UHFFFAOYSA-N -1 0 323.367 -0.419 20 0 DBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000793148023 804724874 /nfs/dbraw/zinc/72/48/74/804724874.db2.gz NHTONABBZVKZJF-SNVBAGLBSA-N -1 0 303.340 -0.828 20 0 DBADRM CN(CCNC(=O)C=C1CCC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001284511555 804726506 /nfs/dbraw/zinc/72/65/06/804726506.db2.gz DHOMMRTUBZVDIG-UHFFFAOYSA-N -1 0 307.310 -0.419 20 0 DBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)c2cccc3nsnc32)n1 ZINC000793326172 804728337 /nfs/dbraw/zinc/72/83/37/804728337.db2.gz WGIQVKNKFUVKEQ-UHFFFAOYSA-N -1 0 324.347 -0.062 20 0 DBADRM CCOC1(C(=O)[N-]S(=O)(=O)c2cnnn2C)CCCC1 ZINC000793276584 804729012 /nfs/dbraw/zinc/72/90/12/804729012.db2.gz OUJUOIYDHCALFY-UHFFFAOYSA-N -1 0 302.356 -0.031 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H](CO)CC1CCC1 ZINC000794121724 804744957 /nfs/dbraw/zinc/74/49/57/804744957.db2.gz HXFXCIDIXWSHRU-JTQLQIEISA-N -1 0 305.338 -0.262 20 0 DBADRM CSCCO[N-]C(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000794194396 804745000 /nfs/dbraw/zinc/74/50/00/804745000.db2.gz BRROBUBVIQFTOS-JTQLQIEISA-N -1 0 303.384 -0.476 20 0 DBADRM COC(=O)[C@@H]1C[C@H](F)CN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000794213499 804746148 /nfs/dbraw/zinc/74/61/48/804746148.db2.gz QRPADOQDEFYQJU-CBAPKCEASA-N -1 0 323.284 -0.817 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]OC/C=C/Cl ZINC000794287916 804746962 /nfs/dbraw/zinc/74/69/62/804746962.db2.gz AFBWCJGSBJGXKF-GFAPAMAISA-N -1 0 303.746 -0.086 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)/C=C\C1CC1 ZINC001284634111 804751247 /nfs/dbraw/zinc/75/12/47/804751247.db2.gz MLCOGLGEJMBBOP-WAYWQWQTSA-N -1 0 321.337 -0.173 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)[N-]c1n[nH]cc1C(N)=O ZINC000795353957 804758536 /nfs/dbraw/zinc/75/85/36/804758536.db2.gz SAPFMOJSTPXENT-UHFFFAOYSA-N -1 0 304.719 -0.304 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000796263610 804770441 /nfs/dbraw/zinc/77/04/41/804770441.db2.gz ANYGYXDTAIPDKP-GHMZBOCLSA-N -1 0 308.342 -0.499 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCC(=O)NCC(F)F ZINC000796473260 804771288 /nfs/dbraw/zinc/77/12/88/804771288.db2.gz KRXIWIGRELTNBN-UHFFFAOYSA-N -1 0 319.230 -0.059 20 0 DBADRM CC[C@@](C)(OC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000796609717 804772745 /nfs/dbraw/zinc/77/27/45/804772745.db2.gz BDMJNLXHBGHALS-GFCCVEGCSA-N -1 0 317.367 -0.256 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1cnn2c1OCCC2 ZINC000796781344 804773580 /nfs/dbraw/zinc/77/35/80/804773580.db2.gz ACUWEMIQYAFDBK-UHFFFAOYSA-N -1 0 300.340 -0.264 20 0 DBADRM Cc1ccc2c(c1)CC[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)O2 ZINC000796826635 804773610 /nfs/dbraw/zinc/77/36/10/804773610.db2.gz HUTIJYHCKDLFQS-LLVKDONJSA-N -1 0 312.347 -0.380 20 0 DBADRM Cn1cc(C(=O)CCC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cn1 ZINC000796714334 804773749 /nfs/dbraw/zinc/77/37/49/804773749.db2.gz WJSLAYHIHPWSJM-JTQLQIEISA-N -1 0 315.351 -0.382 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)CCC(=O)c1cnn(C)c1 ZINC000796730525 804774228 /nfs/dbraw/zinc/77/42/28/804774228.db2.gz GKKPCUMKHAEHAU-UHFFFAOYSA-N -1 0 302.356 -0.304 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796869259 804774613 /nfs/dbraw/zinc/77/46/13/804774613.db2.gz PSVAXHJDZFCLDI-SECBINFHSA-N -1 0 314.367 -0.138 20 0 DBADRM CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cc[nH]n1)C1CCCC1 ZINC000796871321 804774652 /nfs/dbraw/zinc/77/46/52/804774652.db2.gz CRTQRHVMNWHXFP-NSHDSACASA-N -1 0 314.367 -0.091 20 0 DBADRM NC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cc1 ZINC000796868130 804774982 /nfs/dbraw/zinc/77/49/82/804774982.db2.gz GDCQDIXOTHFMSH-UHFFFAOYSA-N -1 0 323.334 -0.303 20 0 DBADRM NC(=O)Cc1occc1C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000796869447 804774987 /nfs/dbraw/zinc/77/49/87/804774987.db2.gz AKRBYSBVQWTRKN-UHFFFAOYSA-N -1 0 301.324 -0.622 20 0 DBADRM CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796879064 804775126 /nfs/dbraw/zinc/77/51/26/804775126.db2.gz RQSAEVUCXGWMDI-UHFFFAOYSA-N -1 0 302.356 -0.233 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)c1cnc2nccnc2c1 ZINC000796870035 804775149 /nfs/dbraw/zinc/77/51/49/804775149.db2.gz VJRKISWCONSIIL-UHFFFAOYSA-N -1 0 304.291 -0.133 20 0 DBADRM O=C(CCc1cncnc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000796922592 804775525 /nfs/dbraw/zinc/77/55/25/804775525.db2.gz NBAZZLZEXGXILU-UHFFFAOYSA-N -1 0 300.340 -0.898 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccccc1OC ZINC000796912541 804775916 /nfs/dbraw/zinc/77/59/16/804775916.db2.gz UZJSWMLBLUYKCG-UHFFFAOYSA-N -1 0 315.351 -0.181 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CC2OCCO2)nc1C ZINC000797202090 804777406 /nfs/dbraw/zinc/77/74/06/804777406.db2.gz BCSOWGFVJZXLNX-UHFFFAOYSA-N -1 0 303.340 -0.221 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2 ZINC000797065178 804777591 /nfs/dbraw/zinc/77/75/91/804777591.db2.gz XGUNMPYWBMFXAE-SSDOTTSWSA-N -1 0 317.323 -0.713 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C1(OC)CCOCC1 ZINC000797280530 804778507 /nfs/dbraw/zinc/77/85/07/804778507.db2.gz JOIYUKSFVYAMNS-MRVPVSSYSA-N -1 0 309.340 -0.811 20 0 DBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC000797258971 804778555 /nfs/dbraw/zinc/77/85/55/804778555.db2.gz IBDSDQOJYATNRV-UHFFFAOYSA-N -1 0 318.273 -0.756 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000797245455 804778830 /nfs/dbraw/zinc/77/88/30/804778830.db2.gz JXAXIVONKHKGGW-QMMMGPOBSA-N -1 0 312.347 -0.049 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cn(C(C)C)nn1 ZINC000797234321 804778947 /nfs/dbraw/zinc/77/89/47/804778947.db2.gz NJYDWMBVLOYGSO-UHFFFAOYSA-N -1 0 314.327 -0.144 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCOCC(F)(F)F ZINC000797290816 804779703 /nfs/dbraw/zinc/77/97/03/804779703.db2.gz IMOKSWHPKLIKTJ-LURJTMIESA-N -1 0 321.273 -0.037 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C/C1CCOCC1 ZINC000797294752 804779788 /nfs/dbraw/zinc/77/97/88/804779788.db2.gz RTKPBQLMCVVHAL-CDAZIORVSA-N -1 0 305.352 -0.023 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C ZINC000797289807 804779873 /nfs/dbraw/zinc/77/98/73/804779873.db2.gz IWAKOWAOZLUNJV-ZETCQYMHSA-N -1 0 308.356 -0.844 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)/C=C/c1cnn(C)c1 ZINC000797300892 804780491 /nfs/dbraw/zinc/78/04/91/804780491.db2.gz XAQVYTDBXJABIH-ZJELKQJVSA-N -1 0 301.324 -0.559 20 0 DBADRM COCc1cncc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)c1 ZINC000797299974 804780551 /nfs/dbraw/zinc/78/05/51/804780551.db2.gz OZRDBMYQFFMVSP-MRVPVSSYSA-N -1 0 316.335 -0.151 20 0 DBADRM CCc1ncncc1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000797303401 804780661 /nfs/dbraw/zinc/78/06/61/804780661.db2.gz XJFBNAOOTVWACW-SSDOTTSWSA-N -1 0 301.324 -0.340 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC000797300715 804780806 /nfs/dbraw/zinc/78/08/06/804780806.db2.gz NIGCIFHGBLQSFC-HTQZYQBOSA-N -1 0 322.383 -0.455 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)[N-]OCC(C)(C)O ZINC000798249099 804788201 /nfs/dbraw/zinc/78/82/01/804788201.db2.gz CFOTXUCUNCCEEV-UHFFFAOYSA-N -1 0 312.388 -0.851 20 0 DBADRM CC[C@@H](C)N(CC(=O)OC)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000798537212 804793603 /nfs/dbraw/zinc/79/36/03/804793603.db2.gz HHSBJUXHYHQPFH-SECBINFHSA-N -1 0 321.337 -0.129 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)N1CCCC1)c1cnn(C)c1 ZINC000798819174 804801719 /nfs/dbraw/zinc/80/17/19/804801719.db2.gz NMYNYFXHJPCLTD-SNVBAGLBSA-N -1 0 302.356 -0.436 20 0 DBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000798848912 804802260 /nfs/dbraw/zinc/80/22/60/804802260.db2.gz KSPAFJSHSCTFJY-UHFFFAOYSA-N -1 0 301.715 -0.018 20 0 DBADRM O=C([N-]S(=O)(=O)CCCF)[C@@H]1COCCN1CC(F)F ZINC000798836512 804802609 /nfs/dbraw/zinc/80/26/09/804802609.db2.gz LCAGEGGBIIPRRS-QMMMGPOBSA-N -1 0 318.317 -0.242 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)/C=C/c1ccccc1F ZINC000799914597 804816993 /nfs/dbraw/zinc/81/69/93/804816993.db2.gz SRKAPRHGMKMCDD-AATRIKPKSA-N -1 0 316.310 -0.083 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)c1cccc2n[nH]nc21 ZINC000800210513 804822789 /nfs/dbraw/zinc/82/27/89/804822789.db2.gz RBJWPWWKVLAGGV-UHFFFAOYSA-N -1 0 306.278 -0.206 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCC(C)=O)CC1 ZINC000800386136 804824224 /nfs/dbraw/zinc/82/42/24/804824224.db2.gz FWRSFQRUMXFDGW-UHFFFAOYSA-N -1 0 320.367 -0.398 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnc2nccnc2c1 ZINC000800551256 804825158 /nfs/dbraw/zinc/82/51/58/804825158.db2.gz XGNZIVXGTDYUSR-UHFFFAOYSA-N -1 0 323.334 -0.780 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CSCC(F)(F)F ZINC000800550303 804825315 /nfs/dbraw/zinc/82/53/15/804825315.db2.gz WBOFHYASNDIPNT-UHFFFAOYSA-N -1 0 322.330 -0.136 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnc2[nH]cnc2c1 ZINC000800550295 804825395 /nfs/dbraw/zinc/82/53/95/804825395.db2.gz WAOGWSAXBMKQQK-UHFFFAOYSA-N -1 0 311.323 -0.846 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc2cc[nH]c2n1 ZINC000800551280 804825587 /nfs/dbraw/zinc/82/55/87/804825587.db2.gz YHIJJIPQTJPZOP-UHFFFAOYSA-N -1 0 310.335 -0.241 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(O)c(F)c1 ZINC000800551878 804826227 /nfs/dbraw/zinc/82/62/27/804826227.db2.gz VDLZCQUOGKTTHC-UHFFFAOYSA-N -1 0 304.299 -0.273 20 0 DBADRM Cc1cc(C)n(CCC(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC000800553419 804826477 /nfs/dbraw/zinc/82/64/77/804826477.db2.gz NFQXENMHABNSJJ-UHFFFAOYSA-N -1 0 316.383 -0.528 20 0 DBADRM CC1(C)CNC(=O)CN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000800723524 804827893 /nfs/dbraw/zinc/82/78/93/804827893.db2.gz LRLOUWYUSRNSSV-UHFFFAOYSA-N -1 0 301.324 -0.388 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc2c1OCO2 ZINC000800918506 804828844 /nfs/dbraw/zinc/82/88/44/804828844.db2.gz NJCVAUAMQZEXJT-HTQZYQBOSA-N -1 0 315.303 -0.376 20 0 DBADRM C[C@](O)(CO)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000801973025 804841265 /nfs/dbraw/zinc/84/12/65/804841265.db2.gz AAJXTFTUIFERIH-CQSZACIVSA-N -1 0 323.374 -0.455 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@](C)(O)CO ZINC000801975678 804841906 /nfs/dbraw/zinc/84/19/06/804841906.db2.gz JMUMAHLENZSVEL-XVKPBYJWSA-N -1 0 300.277 -0.451 20 0 DBADRM Cn1nnc2c1nccc2C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000802095437 804842324 /nfs/dbraw/zinc/84/23/24/804842324.db2.gz DKZCPWRJXBIFDN-UHFFFAOYSA-N -1 0 323.256 -0.015 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CCn1ccnn1 ZINC000802084745 804842493 /nfs/dbraw/zinc/84/24/93/804842493.db2.gz IILZIPBVVZNRMN-UHFFFAOYSA-N -1 0 304.328 -0.933 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C1CN(C(C)=O)C1 ZINC000802152776 804842888 /nfs/dbraw/zinc/84/28/88/804842888.db2.gz ZLFGWTKTCJFHAQ-SFYZADRCSA-N -1 0 320.367 -0.892 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC ZINC000802161044 804843028 /nfs/dbraw/zinc/84/30/28/804843028.db2.gz NKOIPPZLWDONHO-IWSPIJDZSA-N -1 0 322.383 -0.455 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C1=O ZINC000802165057 804843333 /nfs/dbraw/zinc/84/33/33/804843333.db2.gz BCCRHCPELBOBDN-HLTSFMKQSA-N -1 0 320.367 -0.892 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccnn1C ZINC000802162995 804843472 /nfs/dbraw/zinc/84/34/72/804843472.db2.gz ZIMXMXDKAHVDCM-IUCAKERBSA-N -1 0 317.367 -0.394 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cncnc1 ZINC000802167005 804843492 /nfs/dbraw/zinc/84/34/92/804843492.db2.gz KNJRYYBYZCNMJR-HTQZYQBOSA-N -1 0 301.324 -0.266 20 0 DBADRM Cc1cc(=O)c(COC(=O)CCN2CCCS2(=O)=O)n[n-]1 ZINC000802173196 804843591 /nfs/dbraw/zinc/84/35/91/804843591.db2.gz SJGLIKQIZOMBBR-UHFFFAOYSA-N -1 0 315.351 -0.041 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)C1=CCOCC1 ZINC000802163785 804843599 /nfs/dbraw/zinc/84/35/99/804843599.db2.gz SGCQKGGRTXZQHI-RKDXNWHRSA-N -1 0 305.352 -0.023 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C ZINC000802165018 804843895 /nfs/dbraw/zinc/84/38/95/804843895.db2.gz CDEXCSQXEDCZRB-CIUDSAMLSA-N -1 0 320.367 -0.749 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)ccc1=O ZINC000802208063 804844296 /nfs/dbraw/zinc/84/42/96/804844296.db2.gz RUZAYIZAZPIZNG-UHFFFAOYSA-N -1 0 322.346 -0.353 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000802206780 804844347 /nfs/dbraw/zinc/84/43/47/804844347.db2.gz MBCHSTGFNHALJU-MRVPVSSYSA-N -1 0 315.351 -0.167 20 0 DBADRM CC(C)(C)n1[nH]cnc1=NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000802665798 804847208 /nfs/dbraw/zinc/84/72/08/804847208.db2.gz ZFPMFZANEKBERA-UHFFFAOYSA-N -1 0 316.325 -0.522 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000803003456 804848795 /nfs/dbraw/zinc/84/87/95/804848795.db2.gz AGMMGUANAXJBBY-UWVGGRQHSA-N -1 0 304.368 -0.520 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)o1 ZINC000803006157 804848846 /nfs/dbraw/zinc/84/88/46/804848846.db2.gz URTRPUDNHKFACY-MRVPVSSYSA-N -1 0 316.335 -0.135 20 0 DBADRM CCOCCOCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000803003168 804849589 /nfs/dbraw/zinc/84/95/89/804849589.db2.gz ULKHASJFRWUANX-NSHDSACASA-N -1 0 309.384 -0.088 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000803379260 804854150 /nfs/dbraw/zinc/85/41/50/804854150.db2.gz FMWJQRJKPZVPLB-MRVPVSSYSA-N -1 0 313.276 -0.567 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@H](C)NC(=O)OC(C)(C)C ZINC000804043638 804862947 /nfs/dbraw/zinc/86/29/47/804862947.db2.gz XQJZQZAPUZXUCH-VIFPVBQESA-N -1 0 319.358 -0.290 20 0 DBADRM COCCNC(=O)c1cccc(NC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000804339659 804868598 /nfs/dbraw/zinc/86/85/98/804868598.db2.gz CVLJEVPTWIWNJK-UHFFFAOYSA-N -1 0 304.306 -0.123 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000804360950 804869209 /nfs/dbraw/zinc/86/92/09/804869209.db2.gz VJUXAJDFFROFGX-JTQLQIEISA-N -1 0 311.342 -0.898 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001285469284 804890969 /nfs/dbraw/zinc/89/09/69/804890969.db2.gz UKPCMIFOAXDCKR-XRVBUDJMSA-N -1 0 323.353 -0.649 20 0 DBADRM CCCCC(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001285484498 804895336 /nfs/dbraw/zinc/89/53/36/804895336.db2.gz QKUHMOZUMXQVPB-PLNGDYQASA-N -1 0 309.326 -0.125 20 0 DBADRM C[C@@H](C(=O)NC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001285509822 804902650 /nfs/dbraw/zinc/90/26/50/804902650.db2.gz AGWUIEOPXJZAHF-GKQMSVHHSA-N -1 0 323.353 -0.476 20 0 DBADRM C[C@H](C(=O)NC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001285509827 804902732 /nfs/dbraw/zinc/90/27/32/804902732.db2.gz AGWUIEOPXJZAHF-XADBCAIWSA-N -1 0 323.353 -0.476 20 0 DBADRM C[C@@H](OCC(=O)[N-]S(=O)(=O)c1cc[nH]n1)c1nccn1C ZINC000805925729 804905127 /nfs/dbraw/zinc/90/51/27/804905127.db2.gz QONTVLPWGIFRTN-MRVPVSSYSA-N -1 0 313.339 -0.274 20 0 DBADRM O=C(COCc1cccnc1)[N-]S(=O)(=O)c1cnccn1 ZINC000805895186 804905163 /nfs/dbraw/zinc/90/51/63/804905163.db2.gz IKVNZUVCSHMNMK-UHFFFAOYSA-N -1 0 308.319 -0.107 20 0 DBADRM CCOC1CC(C(=O)[N-]S(=O)(=O)CCOCCOC)C1 ZINC000805898691 804905305 /nfs/dbraw/zinc/90/53/05/804905305.db2.gz UOYXSYQHBSOYRQ-UHFFFAOYSA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CO[C@@H](C)c1nccn1C ZINC000805881669 804905433 /nfs/dbraw/zinc/90/54/33/804905433.db2.gz FNHYWXRHJDBUNZ-ZJUUUORDSA-N -1 0 319.383 -0.021 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)COCc1ccccn1 ZINC000805916067 804905449 /nfs/dbraw/zinc/90/54/49/804905449.db2.gz UKXMSFSKAHIWKR-VIFPVBQESA-N -1 0 316.335 -0.394 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC001325051110 807027791 /nfs/dbraw/zinc/02/77/91/807027791.db2.gz OYNINJFMAIBNCC-UWVGGRQHSA-N -1 0 320.334 -0.480 20 0 DBADRM C[C@@H](CNC(=O)C(=O)[N-]OC1CCCCC1)S(C)(=O)=O ZINC000807000139 804928405 /nfs/dbraw/zinc/92/84/05/804928405.db2.gz KNBFNHOFNHVZBI-VIFPVBQESA-N -1 0 306.384 -0.084 20 0 DBADRM CC(C)Cn1ncc(NC(=O)C(=O)[N-]OCC(N)=O)c1C1CC1 ZINC000807028320 804929061 /nfs/dbraw/zinc/92/90/61/804929061.db2.gz YPAKHDXDTAKEQG-UHFFFAOYSA-N -1 0 323.353 -0.112 20 0 DBADRM COC1(CNC(=O)C(=O)[N-]OCCSC)CCOCC1 ZINC000807063031 804930347 /nfs/dbraw/zinc/93/03/47/804930347.db2.gz NOHCRTZSQDQQPX-UHFFFAOYSA-N -1 0 306.384 -0.291 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)CC(=O)N(C)C)c1[O-] ZINC001285634793 804932377 /nfs/dbraw/zinc/93/23/77/804932377.db2.gz PUUBFRFJMOZDOX-SSDOTTSWSA-N -1 0 311.342 -0.863 20 0 DBADRM C/C=C(\C)C(=O)N[C@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001285637853 804933332 /nfs/dbraw/zinc/93/33/32/804933332.db2.gz KVDSIXXVUNMQCQ-WHXYTISESA-N -1 0 308.338 -0.313 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H](C)CC1(C)OCCO1 ZINC000807417101 804935930 /nfs/dbraw/zinc/93/59/30/804935930.db2.gz HGWLHEHGWMUIDR-JTQLQIEISA-N -1 0 304.343 -0.414 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000807574443 804938291 /nfs/dbraw/zinc/93/82/91/804938291.db2.gz PRXITWISBWDKFX-UHFFFAOYSA-N -1 0 324.259 -0.251 20 0 DBADRM C[C@H](CNC(=O)c1ccccc1O)NC(=O)[C@@H]1CCNC1=O ZINC001285679466 804942166 /nfs/dbraw/zinc/94/21/66/804942166.db2.gz YAWFNGLVVYEWRQ-MWLCHTKSSA-N -1 0 305.334 -0.237 20 0 DBADRM C[C@H](CNC(=O)c1ccccc1O)NC(=O)[C@H]1CCNC1=O ZINC001285679464 804942469 /nfs/dbraw/zinc/94/24/69/804942469.db2.gz YAWFNGLVVYEWRQ-KOLCDFICSA-N -1 0 305.334 -0.237 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC=CCC1 ZINC001285705645 804948221 /nfs/dbraw/zinc/94/82/21/804948221.db2.gz GREVJWWCOQXAMY-IUCAKERBSA-N -1 0 321.337 -0.126 20 0 DBADRM CCn1cnc(S(=O)(=O)[N-]N2C(=O)N[C@](C)(CC)C2=O)c1 ZINC000808309437 804956859 /nfs/dbraw/zinc/95/68/59/804956859.db2.gz DGQBVJONSHULGK-LLVKDONJSA-N -1 0 315.355 -0.183 20 0 DBADRM Cn1nncc1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000808565454 804961276 /nfs/dbraw/zinc/96/12/76/804961276.db2.gz ZSXRNXFJURNHCF-UHFFFAOYSA-N -1 0 306.311 -0.408 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCc1ccnc(N(C)C)n1 ZINC000808867823 804965184 /nfs/dbraw/zinc/96/51/84/804965184.db2.gz IUPDNSSXBQXCJJ-UHFFFAOYSA-N -1 0 313.383 -0.430 20 0 DBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000808965236 804966733 /nfs/dbraw/zinc/96/67/33/804966733.db2.gz IAQYOZXUICHLKP-UHFFFAOYSA-N -1 0 324.337 -0.152 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)nn1 ZINC000808982451 804966877 /nfs/dbraw/zinc/96/68/77/804966877.db2.gz VTTSWADTBKMUOL-UHFFFAOYSA-N -1 0 321.362 -0.152 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccnc(C(F)(F)F)c1 ZINC000808998806 804967391 /nfs/dbraw/zinc/96/73/91/804967391.db2.gz UAYXLEJOOHJADV-UHFFFAOYSA-N -1 0 311.241 -0.355 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cnn(CCF)c1 ZINC000808991252 804967540 /nfs/dbraw/zinc/96/75/40/804967540.db2.gz AOVMGUBUQCEUQB-UHFFFAOYSA-N -1 0 323.346 -0.425 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1cnn(CCF)c1 ZINC000808999521 804967912 /nfs/dbraw/zinc/96/79/12/804967912.db2.gz KPSZQOCSVNRVEB-UHFFFAOYSA-N -1 0 301.303 -0.295 20 0 DBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000809030163 804968846 /nfs/dbraw/zinc/96/88/46/804968846.db2.gz IARRQHKRPUPMTC-UHFFFAOYSA-N -1 0 305.356 -0.413 20 0 DBADRM CCn1cc(CC(=O)[N-]S(=O)(=O)c2cn(C)nc2C)cn1 ZINC000809030831 804969145 /nfs/dbraw/zinc/96/91/45/804969145.db2.gz LJRUNEYIZVBGHA-UHFFFAOYSA-N -1 0 311.367 -0.007 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H](COC)[C@@H]1CCCO1 ZINC000809453727 804976760 /nfs/dbraw/zinc/97/67/60/804976760.db2.gz OSAIGMVDNSWZOU-QWRGUYRKSA-N -1 0 304.343 -0.619 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H](COC)[C@H]1CCCO1 ZINC000809453728 804976923 /nfs/dbraw/zinc/97/69/23/804976923.db2.gz OSAIGMVDNSWZOU-WDEREUQCSA-N -1 0 304.343 -0.619 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1C[C@@H](C)OC1=O ZINC000809382447 804976995 /nfs/dbraw/zinc/97/69/95/804976995.db2.gz ITJHGQQIYCUBHS-PHDIDXHHSA-N -1 0 320.348 -0.088 20 0 DBADRM COC[C@H](NC(=O)C(=O)[N-]OC1CCOCC1)[C@H]1CCCO1 ZINC000809454157 804977973 /nfs/dbraw/zinc/97/79/73/804977973.db2.gz YXVKGFATWHRNCC-NWDGAFQWSA-N -1 0 316.354 -0.477 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2c(C)onc2N)C1=O ZINC000809839730 804982700 /nfs/dbraw/zinc/98/27/00/804982700.db2.gz KPPHKWZQILTDEU-JTQLQIEISA-N -1 0 317.327 -0.521 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000809844605 804983234 /nfs/dbraw/zinc/98/32/34/804983234.db2.gz VGHSIDAMBCLPRC-UHFFFAOYSA-N -1 0 315.370 -0.948 20 0 DBADRM CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(=O)[O-])CC1 ZINC000810542089 804995982 /nfs/dbraw/zinc/99/59/82/804995982.db2.gz VQRZLVDWFXVELM-UHFFFAOYSA-N -1 0 307.324 -0.960 20 0 DBADRM O=C([N-]S(=O)(=O)Cc1cccnc1)c1cc2n(n1)CCO2 ZINC000810667735 804996672 /nfs/dbraw/zinc/99/66/72/804996672.db2.gz GMACOFTYAXMKDG-UHFFFAOYSA-N -1 0 308.319 -0.070 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)COc1cc(F)cc(F)c1 ZINC000810667679 804996712 /nfs/dbraw/zinc/99/67/12/804996712.db2.gz FTTFNGWCCYWTRZ-UHFFFAOYSA-N -1 0 308.262 -0.725 20 0 DBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)c2ccnc(Cl)c2)n1 ZINC000810659026 804997254 /nfs/dbraw/zinc/99/72/54/804997254.db2.gz VNNFKOZEBCXIMZ-UHFFFAOYSA-N -1 0 301.715 -0.018 20 0 DBADRM CCc1c(C(=O)[N-]S(=O)(=O)N2CCOCC2)ccn1C ZINC000810597707 804997308 /nfs/dbraw/zinc/99/73/08/804997308.db2.gz KTYYOOIPPKYSST-UHFFFAOYSA-N -1 0 301.368 -0.106 20 0 DBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)n1 ZINC000810581059 804997365 /nfs/dbraw/zinc/99/73/65/804997365.db2.gz NKQFHXWDZVXOTK-UHFFFAOYSA-N -1 0 301.715 -0.018 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCCCC(N)=O ZINC000810681507 804998282 /nfs/dbraw/zinc/99/82/82/804998282.db2.gz JVEVTIGFJMJTHZ-DTWKUNHWSA-N -1 0 322.383 -0.324 20 0 DBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)n1 ZINC000810704492 804998318 /nfs/dbraw/zinc/99/83/18/804998318.db2.gz IBFYEQNHCYXUEF-UHFFFAOYSA-N -1 0 310.339 -0.460 20 0 DBADRM COCC1(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)CCOCC1 ZINC000810721829 804998626 /nfs/dbraw/zinc/99/86/26/804998626.db2.gz FAQNBTUHNUOUFO-SNVBAGLBSA-N -1 0 309.384 -0.090 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1nnn(C)c1C ZINC000810826877 805000208 /nfs/dbraw/zinc/00/02/08/805000208.db2.gz HKWRGPGYVAUISG-UHFFFAOYSA-N -1 0 300.300 -0.879 20 0 DBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2c(C)onc2N)CC1 ZINC000810831626 805000253 /nfs/dbraw/zinc/00/02/53/805000253.db2.gz OCLRDXYJBMVYOT-UHFFFAOYSA-N -1 0 303.296 -0.677 20 0 DBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000810830570 805000986 /nfs/dbraw/zinc/00/09/86/805000986.db2.gz UFKDOBMMTWZRAB-UHFFFAOYSA-N -1 0 307.328 -0.577 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@@H](C)NC(C)=O ZINC000811144535 805004861 /nfs/dbraw/zinc/00/48/61/805004861.db2.gz WDXWXDGPCQKAND-SSDOTTSWSA-N -1 0 308.356 -0.844 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)COC[C@H]2CCCO2)CC1 ZINC000811152128 805005034 /nfs/dbraw/zinc/00/50/34/805005034.db2.gz OZGYTPIKNIQYTK-SNVBAGLBSA-N -1 0 307.368 -0.193 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)C2(COC)CC2)C1 ZINC000811154362 805006575 /nfs/dbraw/zinc/00/65/75/805006575.db2.gz CVMXGYFGWRFIGA-SNVBAGLBSA-N -1 0 318.395 -0.130 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])CCC1 ZINC000812448984 805020065 /nfs/dbraw/zinc/02/00/65/805020065.db2.gz GEOHHDBJZPXANZ-BDAKNGLRSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ncn(C(C)(C)C)n1 ZINC000813085016 805025177 /nfs/dbraw/zinc/02/51/77/805025177.db2.gz XIPJSLUBOVWWES-ZETCQYMHSA-N -1 0 318.355 -0.346 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCc1ncccn1 ZINC000813075465 805025437 /nfs/dbraw/zinc/02/54/37/805025437.db2.gz ZRJKQZMHVLDUNP-UHFFFAOYSA-N -1 0 302.356 -0.652 20 0 DBADRM COc1cc(NC(=O)C(=O)[N-]OCCOC(C)C)nn1C ZINC000813056328 805025608 /nfs/dbraw/zinc/02/56/08/805025608.db2.gz UUKZKKVWCVNDCF-UHFFFAOYSA-N -1 0 300.315 -0.160 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc3nnnn3c2)C1=O ZINC000813547405 805030128 /nfs/dbraw/zinc/03/01/28/805030128.db2.gz SACNRWGGDZDREC-GFCCVEGCSA-N -1 0 303.282 -0.510 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCC(C)C)CC1 ZINC000813946561 805035538 /nfs/dbraw/zinc/03/55/38/805035538.db2.gz CVRBMNATCBHUNB-UHFFFAOYSA-N -1 0 305.400 -0.052 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C(C)(C)C2CC2)CC1 ZINC000813943556 805035653 /nfs/dbraw/zinc/03/56/53/805035653.db2.gz DPWMRBYZGXITES-UHFFFAOYSA-N -1 0 317.411 -0.052 20 0 DBADRM COC1(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)CCC1 ZINC000813944874 805035862 /nfs/dbraw/zinc/03/58/62/805035862.db2.gz ZSHLSWPSHHLCBE-UHFFFAOYSA-N -1 0 319.383 -0.919 20 0 DBADRM CSC[C@H](C)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813948537 805036478 /nfs/dbraw/zinc/03/64/78/805036478.db2.gz JQKJPZMOMLJPIZ-VIFPVBQESA-N -1 0 323.440 -0.489 20 0 DBADRM CC/C=C(/C)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813950233 805036816 /nfs/dbraw/zinc/03/68/16/805036816.db2.gz XHZQSPQSRMSAKZ-YHYXMXQVSA-N -1 0 303.384 -0.132 20 0 DBADRM CS[C@H](C)CC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813949265 805036918 /nfs/dbraw/zinc/03/69/18/805036918.db2.gz RDFQQDKQQQFLDY-SECBINFHSA-N -1 0 323.440 -0.347 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ocnc2C)CC1 ZINC000813947195 805036985 /nfs/dbraw/zinc/03/69/85/805036985.db2.gz XZMJLQWYMGXFQY-UHFFFAOYSA-N -1 0 316.339 -0.878 20 0 DBADRM COC[C@@H](C)CC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813949899 805037234 /nfs/dbraw/zinc/03/72/34/805037234.db2.gz FHFIFYKCEQWHSC-JTQLQIEISA-N -1 0 321.399 -0.816 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000813953062 805038081 /nfs/dbraw/zinc/03/80/81/805038081.db2.gz POPNZSUZFKFVRW-SSDOTTSWSA-N -1 0 303.340 -0.267 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C ZINC000813989159 805038975 /nfs/dbraw/zinc/03/89/75/805038975.db2.gz VYGJURYDGJHKLA-UHFFFAOYSA-N -1 0 316.383 -0.304 20 0 DBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2c(C)cnn2C)CC1 ZINC000813990373 805039008 /nfs/dbraw/zinc/03/90/08/805039008.db2.gz IPUQOVLAKLORRM-UHFFFAOYSA-N -1 0 301.324 -0.513 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NCc3nnn[n-]3)[C@H]2C1 ZINC000815557854 805056917 /nfs/dbraw/zinc/05/69/17/805056917.db2.gz HKCTXOGEFAXWEO-MBTKJCJQSA-N -1 0 308.342 -0.071 20 0 DBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)[N-]OCCC1CC1 ZINC000815794356 805058907 /nfs/dbraw/zinc/05/89/07/805058907.db2.gz MYWGGAJYKHZSSE-UHFFFAOYSA-N -1 0 310.310 -0.007 20 0 DBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)Cc2ccccc2)c1=O ZINC000815898681 805060174 /nfs/dbraw/zinc/06/01/74/805060174.db2.gz OSWQDPYOSVKBRS-UHFFFAOYSA-N -1 0 324.362 -0.382 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)n1 ZINC000815895673 805060311 /nfs/dbraw/zinc/06/03/11/805060311.db2.gz BYGIIQUCJLITCH-UHFFFAOYSA-N -1 0 312.355 -0.233 20 0 DBADRM Cc1cccc(S(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)c1 ZINC000815895310 805060410 /nfs/dbraw/zinc/06/04/10/805060410.db2.gz MXLOWZPBDARYNY-UHFFFAOYSA-N -1 0 324.362 -0.215 20 0 DBADRM O=C(CN1CCCCC1=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000815920602 805061675 /nfs/dbraw/zinc/06/16/75/805061675.db2.gz LNLBXPJUJBOXMJ-UHFFFAOYSA-N -1 0 303.384 -0.154 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnccn2)c[nH]1 ZINC000815980442 805063162 /nfs/dbraw/zinc/06/31/62/805063162.db2.gz LVEGXPXPCPHTDB-UHFFFAOYSA-N -1 0 310.291 -0.290 20 0 DBADRM CC(=O)N[C@@H](C)CCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001286513672 805063350 /nfs/dbraw/zinc/06/33/50/805063350.db2.gz YCSMJDGUMQIFSH-VIFPVBQESA-N -1 0 320.353 -0.508 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)OC)c1 ZINC000815979059 805063233 /nfs/dbraw/zinc/06/32/33/805063233.db2.gz PVQAYQZHSJGBAS-UHFFFAOYSA-N -1 0 319.339 -0.646 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)cn1 ZINC000815973787 805063496 /nfs/dbraw/zinc/06/34/96/805063496.db2.gz PXUUHHPYLRFJHT-UHFFFAOYSA-N -1 0 314.367 -0.280 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)n1 ZINC000815997843 805063747 /nfs/dbraw/zinc/06/37/47/805063747.db2.gz YFBIUTKDAREWJY-VIFPVBQESA-N -1 0 302.356 -0.297 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2)C1CC1 ZINC000816204725 805066658 /nfs/dbraw/zinc/06/66/58/805066658.db2.gz QEUUKKDVONECFS-JTQLQIEISA-N -1 0 315.351 -0.105 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)C1=COCC1 ZINC000816461007 805071003 /nfs/dbraw/zinc/07/10/03/805071003.db2.gz FWUQFTZYFABDHC-JTQLQIEISA-N -1 0 313.335 -0.046 20 0 DBADRM O=C(Cn1ccc2ccccc2c1=O)Nn1c(=O)[n-][nH]c1=O ZINC000816731271 805078064 /nfs/dbraw/zinc/07/80/64/805078064.db2.gz JYIHLFHRIIKJOS-UHFFFAOYSA-N -1 0 301.262 -0.226 20 0 DBADRM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nn1c(=O)[n-][nH]c1=O ZINC000816730884 805078316 /nfs/dbraw/zinc/07/83/16/805078316.db2.gz SPCYETAAXMUWHH-YUMQZZPRSA-N -1 0 323.309 -0.675 20 0 DBADRM O=C(COc1ccc2ccc(=O)oc2c1)Nn1c(=O)[n-][nH]c1=O ZINC000816730616 805079030 /nfs/dbraw/zinc/07/90/30/805079030.db2.gz HJXIKDNSLZORDW-UHFFFAOYSA-N -1 0 318.245 -0.055 20 0 DBADRM COCC(=O)N(C)CCOCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001287400338 805079179 /nfs/dbraw/zinc/07/91/79/805079179.db2.gz OHPKOFCOSKQYHN-UHFFFAOYSA-N -1 0 314.342 -0.725 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000816731881 805079339 /nfs/dbraw/zinc/07/93/39/805079339.db2.gz JJRFVHMYSXAFRH-JTQLQIEISA-N -1 0 317.305 -0.192 20 0 DBADRM CC(=O)N1c2ccccc2C[C@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816732801 805079394 /nfs/dbraw/zinc/07/93/94/805079394.db2.gz VUJSJNOCULKYKO-JTQLQIEISA-N -1 0 303.278 -0.263 20 0 DBADRM Cc1cc(C)cc(C(=O)NCC(=O)Nn2c(=O)[n-][nH]c2=O)c1 ZINC000816733815 805080038 /nfs/dbraw/zinc/08/00/38/805080038.db2.gz MYRMQULNCGPODP-UHFFFAOYSA-N -1 0 305.294 -0.194 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cc(N2CCNC2=O)ccc1F ZINC000816732509 805080065 /nfs/dbraw/zinc/08/00/65/805080065.db2.gz KMLRWUOPDGUTJK-UHFFFAOYSA-N -1 0 322.256 -0.258 20 0 DBADRM O=C(CCc1nc(-c2ccccn2)no1)Nn1c(=O)[n-][nH]c1=O ZINC000816733974 805080725 /nfs/dbraw/zinc/08/07/25/805080725.db2.gz UJKOHEYXSKLYTJ-UHFFFAOYSA-N -1 0 317.265 -0.163 20 0 DBADRM C[C@@H](C(=O)Nn1c(=O)[n-][nH]c1=O)n1nnc(-c2ccccc2)n1 ZINC000816734077 805080843 /nfs/dbraw/zinc/08/08/43/805080843.db2.gz YRXDCBZXVLLVMK-ZETCQYMHSA-N -1 0 316.281 -0.326 20 0 DBADRM CCn1ncn([N-]C(=O)c2cnn(C)c2-n2cccc2)c1=O ZINC000816735269 805080936 /nfs/dbraw/zinc/08/09/36/805080936.db2.gz YTPITTSKZOCJND-UHFFFAOYSA-N -1 0 301.310 -0.027 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc(N2CCOCC2)cc1 ZINC000816734569 805081097 /nfs/dbraw/zinc/08/10/97/805081097.db2.gz UNBNNGJWCCCZNC-UHFFFAOYSA-N -1 0 305.294 -0.090 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCC(C)(CO)CO ZINC000816760422 805083092 /nfs/dbraw/zinc/08/30/92/805083092.db2.gz QRJRFAFWDLCJGO-UHFFFAOYSA-N -1 0 300.277 -0.449 20 0 DBADRM CSCC[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000817110512 805091364 /nfs/dbraw/zinc/09/13/64/805091364.db2.gz GOWYNIYILURQBW-RKDXNWHRSA-N -1 0 304.368 -0.444 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000817114975 805092324 /nfs/dbraw/zinc/09/23/24/805092324.db2.gz LXWVFJWZBLHJER-OAHLLOKOSA-N -1 0 324.308 -0.164 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CSC(F)(F)F ZINC000817870741 805102511 /nfs/dbraw/zinc/10/25/11/805102511.db2.gz GCPZDJKWNKMGPP-YFKPBYRVSA-N -1 0 321.298 -0.050 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(F)F)C2)C1 ZINC000817901707 805103205 /nfs/dbraw/zinc/10/32/05/805103205.db2.gz XCELVOWAVLATQY-RKDXNWHRSA-N -1 0 320.292 -0.198 20 0 DBADRM COC[C@@H](C(N)=O)N(C)C(=O)CSc1n[n-]c(=S)s1 ZINC000817929986 805103719 /nfs/dbraw/zinc/10/37/19/805103719.db2.gz AEYJAXBDXKCIOH-YFKPBYRVSA-N -1 0 322.437 -0.122 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)N(C)CCC(=O)[O-])CC1 ZINC000818369081 805110879 /nfs/dbraw/zinc/11/08/79/805110879.db2.gz VADVXYJSWYTULZ-UHFFFAOYSA-N -1 0 314.386 -0.345 20 0 DBADRM CC(C)(CCNC(=O)NCCOCCS(C)(=O)=O)C(=O)[O-] ZINC000818623826 805114982 /nfs/dbraw/zinc/11/49/82/805114982.db2.gz BBDKVWVFTGDJAS-UHFFFAOYSA-N -1 0 324.399 -0.152 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000818657722 805116854 /nfs/dbraw/zinc/11/68/54/805116854.db2.gz JDEQQSJNDYRYAB-VIFPVBQESA-N -1 0 313.354 -0.707 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCCc1ccnn1C)C(=O)[O-] ZINC000818658233 805116885 /nfs/dbraw/zinc/11/68/85/805116885.db2.gz TVVXWONMELOAIF-NSHDSACASA-N -1 0 324.381 -0.058 20 0 DBADRM C[C@H]1CCC[C@@]1(O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000819000452 805120306 /nfs/dbraw/zinc/12/03/06/805120306.db2.gz TVVIGVZJWKJZAS-LKFCYVNXSA-N -1 0 305.338 -0.262 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1 ZINC000819095642 805121280 /nfs/dbraw/zinc/12/12/80/805121280.db2.gz YHZDXOMTWBWAEW-GFCCVEGCSA-N -1 0 315.303 -0.375 20 0 DBADRM CCOc1ccc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)cn1 ZINC000819093991 805121370 /nfs/dbraw/zinc/12/13/70/805121370.db2.gz DTGVZKFACBGFIB-LBPRGKRZSA-N -1 0 316.335 -0.310 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)cn1 ZINC000819094451 805121655 /nfs/dbraw/zinc/12/16/55/805121655.db2.gz KQNVARVCIDOMTK-LLVKDONJSA-N -1 0 303.340 -0.326 20 0 DBADRM CCc1ncc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)s1 ZINC000819094024 805121665 /nfs/dbraw/zinc/12/16/65/805121665.db2.gz FFLWPMGEFPGHCB-JTQLQIEISA-N -1 0 306.365 -0.084 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000819106236 805122751 /nfs/dbraw/zinc/12/27/51/805122751.db2.gz SXANOJBXMNLSON-WPRPVWTQSA-N -1 0 303.340 -0.124 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000819351546 805127253 /nfs/dbraw/zinc/12/72/53/805127253.db2.gz UPCJQSGTYYRNBB-SNVBAGLBSA-N -1 0 309.322 -0.360 20 0 DBADRM C[C@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)n1cccn1 ZINC000819508545 805129103 /nfs/dbraw/zinc/12/91/03/805129103.db2.gz FVJUSXIGPNIJIT-SECBINFHSA-N -1 0 302.356 -0.584 20 0 DBADRM C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H](O)C(F)(F)F ZINC000819565730 805130147 /nfs/dbraw/zinc/13/01/47/805130147.db2.gz KYFDNZKINWMAOL-XRGYYRRGSA-N -1 0 319.243 -0.501 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCC(=O)N(C)OC)c1 ZINC000819576737 805130423 /nfs/dbraw/zinc/13/04/23/805130423.db2.gz VXXLPFOQXYAGMX-OAQYLSRUSA-N -1 0 314.363 -0.061 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cc2c(cn1)OCCO2 ZINC000820124303 805143850 /nfs/dbraw/zinc/14/38/50/805143850.db2.gz UTNKTRJIPJYYDB-UHFFFAOYSA-N -1 0 301.324 -0.221 20 0 DBADRM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000820282015 805151798 /nfs/dbraw/zinc/15/17/98/805151798.db2.gz HREDJRZIGHJKLF-ZCFIWIBFSA-N -1 0 315.355 -0.293 20 0 DBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000820288825 805151846 /nfs/dbraw/zinc/15/18/46/805151846.db2.gz PRAFFOZUYZRCTM-SCSAIBSYSA-N -1 0 312.315 -0.738 20 0 DBADRM O=C(CSc1nnc2ccccn21)Nn1c(=O)[n-][nH]c1=O ZINC000820282639 805152030 /nfs/dbraw/zinc/15/20/30/805152030.db2.gz PQYUMXNKQDZVHE-UHFFFAOYSA-N -1 0 307.295 -0.406 20 0 DBADRM C=CC(=O)NCc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1 ZINC000820288396 805152160 /nfs/dbraw/zinc/15/21/60/805152160.db2.gz LBSKLECDHBOEPW-UHFFFAOYSA-N -1 0 303.278 -0.125 20 0 DBADRM O=C(NCCCc1ccccc1)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000820292455 805152881 /nfs/dbraw/zinc/15/28/81/805152881.db2.gz RTFXFLVIALTQNE-UHFFFAOYSA-N -1 0 305.294 -0.492 20 0 DBADRM C[C@@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CCN1C ZINC000820295479 805153329 /nfs/dbraw/zinc/15/33/29/805153329.db2.gz LFIXTSWMNSWMFG-SNVBAGLBSA-N -1 0 301.354 -0.149 20 0 DBADRM CS(=O)(=O)Cc1ccccc1NCC(=O)NCC(=O)[O-] ZINC000820890482 805168564 /nfs/dbraw/zinc/16/85/64/805168564.db2.gz DWCBKHACBFTLMF-UHFFFAOYSA-N -1 0 300.336 -0.156 20 0 DBADRM CC(C)(C)C[C@H](O)[C@@H](NS(=O)(=O)[C@@H]1CCOC1)C(=O)[O-] ZINC000821248296 805176645 /nfs/dbraw/zinc/17/66/45/805176645.db2.gz KGGNTMFWJLPRHC-KXUCPTDWSA-N -1 0 309.384 -0.055 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CNC(C)=O ZINC000821585808 805185760 /nfs/dbraw/zinc/18/57/60/805185760.db2.gz XAXGTYQQSTZKPX-VIFPVBQESA-N -1 0 308.356 -0.700 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCNC(=O)C(C)(C)C ZINC000821598838 805186998 /nfs/dbraw/zinc/18/69/98/805186998.db2.gz VGIUWMCTPWVDIR-UHFFFAOYSA-N -1 0 322.383 -0.452 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCO[C@@H]([C@@H](C)O)C2)cc1=O ZINC000822847781 805214708 /nfs/dbraw/zinc/21/47/08/805214708.db2.gz QGGBAZNJRIWASO-DGCLKSJQSA-N -1 0 311.382 -0.017 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC001289429462 805220357 /nfs/dbraw/zinc/22/03/57/805220357.db2.gz DWKHHOYECKSJNH-UHFFFAOYSA-N -1 0 302.290 -0.151 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1nnn(Cc2cc(C)on2)c1C ZINC001289429349 805220389 /nfs/dbraw/zinc/22/03/89/805220389.db2.gz DINMLXPIOQDHOA-UHFFFAOYSA-N -1 0 308.298 -0.661 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1COc2ccccc21 ZINC000823127246 805224618 /nfs/dbraw/zinc/22/46/18/805224618.db2.gz XODUEYCYSFLGSH-VIFPVBQESA-N -1 0 312.293 -0.292 20 0 DBADRM CN(C)CCO[N-]C(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000823254796 805227258 /nfs/dbraw/zinc/22/72/58/805227258.db2.gz DECQCFSKIREEIF-SFYZADRCSA-N -1 0 318.317 -0.181 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CC(N3CCOCC3)C2)cc1=O ZINC000823753496 805239490 /nfs/dbraw/zinc/23/94/90/805239490.db2.gz ZLYVOCZIHBSFEC-UHFFFAOYSA-N -1 0 322.409 -0.082 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC000823954432 805245206 /nfs/dbraw/zinc/24/52/06/805245206.db2.gz OPPFADWBPXCNGD-CHWSQXEVSA-N -1 0 311.382 -0.017 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC000824220660 805252118 /nfs/dbraw/zinc/25/21/18/805252118.db2.gz ZHEWTWVSCKWEOP-BQBZGAKWSA-N -1 0 311.260 -0.515 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc(-n2cccn2)nc1 ZINC001290578189 805252436 /nfs/dbraw/zinc/25/24/36/805252436.db2.gz QHZIWHLDLAXSLA-UHFFFAOYSA-N -1 0 301.266 -0.091 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC000824628353 805261828 /nfs/dbraw/zinc/26/18/28/805261828.db2.gz DAGVNWHXRCSIFI-JTQLQIEISA-N -1 0 302.327 -0.377 20 0 DBADRM CCC1(O)CCC(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000825176028 805272312 /nfs/dbraw/zinc/27/23/12/805272312.db2.gz CPTXCRRGAPMGKF-UHFFFAOYSA-N -1 0 320.357 -0.342 20 0 DBADRM Cc1ccccc1C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001292457496 805274611 /nfs/dbraw/zinc/27/46/11/805274611.db2.gz LRWCXPSCTDVJAK-UHFFFAOYSA-N -1 0 319.321 -0.456 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCCNC(=O)C1 ZINC000825456671 805280574 /nfs/dbraw/zinc/28/05/74/805280574.db2.gz XMQRPLFJPUVZJB-UHFFFAOYSA-N -1 0 302.290 -0.008 20 0 DBADRM O=C(NCCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1n[nH]c(=O)[n-]c1=O ZINC001292617864 805307339 /nfs/dbraw/zinc/30/73/39/805307339.db2.gz VFAXTTKOROUHDP-JIGDXULJSA-N -1 0 307.310 -0.825 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)c1[O-] ZINC001292643462 805312153 /nfs/dbraw/zinc/31/21/53/805312153.db2.gz ITVBOIAXMHJYLN-CBAPKCEASA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@@H]2CC(=O)N[C@H](C)C2)c1[O-] ZINC001292643395 805312355 /nfs/dbraw/zinc/31/23/55/805312355.db2.gz ITVBOIAXMHJYLN-APPZFPTMSA-N -1 0 323.353 -0.816 20 0 DBADRM CS[C@H](C)CC(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001292652289 805313847 /nfs/dbraw/zinc/31/38/47/805313847.db2.gz CWXKESXWFHFTAS-ZCFIWIBFSA-N -1 0 315.355 -0.730 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000826560546 805315360 /nfs/dbraw/zinc/31/53/60/805315360.db2.gz SWTDTQRBSDOGSA-QWRGUYRKSA-N -1 0 316.379 -0.096 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001292761253 805335186 /nfs/dbraw/zinc/33/51/86/805335186.db2.gz YEGYCWBKDLDDQE-UWVGGRQHSA-N -1 0 317.349 -0.085 20 0 DBADRM C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)CCN2CCOCC2)CC1 ZINC000827362450 805336510 /nfs/dbraw/zinc/33/65/10/805336510.db2.gz OFKFTPZTLFNKON-ZDUSSCGKSA-N -1 0 313.398 -0.284 20 0 DBADRM Cn1nnc2cc(S(=O)(=O)[N-]N3CCCNC3=O)ccc21 ZINC000827498190 805340275 /nfs/dbraw/zinc/34/02/75/805340275.db2.gz FYOYNGINMAMLSY-UHFFFAOYSA-N -1 0 310.339 -0.423 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)CC[C@H]1C(=O)[O-] ZINC000827903340 805355821 /nfs/dbraw/zinc/35/58/21/805355821.db2.gz ZTCFOHQJVOINKB-GHMZBOCLSA-N -1 0 322.365 -0.050 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)n1 ZINC000827965640 805357954 /nfs/dbraw/zinc/35/79/54/805357954.db2.gz DWUWPJKJOMTPPR-IUCAKERBSA-N -1 0 324.341 -0.259 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)CCC[C@@]1(C)NC(=O)NC1=O ZINC000828297748 805371642 /nfs/dbraw/zinc/37/16/42/805371642.db2.gz HJZWTONNUHDLBK-CYBMUJFWSA-N -1 0 314.342 -0.129 20 0 DBADRM O=C(NCCNC(=O)[C@]12C[C@H]1CCC2)c1n[nH]c(=O)[n-]c1=O ZINC001293012656 805373435 /nfs/dbraw/zinc/37/34/35/805373435.db2.gz IIAVTSPOPFFTGX-FUXBKTLASA-N -1 0 307.310 -0.681 20 0 DBADRM CC(C)C1(C(=O)NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001293027998 805375363 /nfs/dbraw/zinc/37/53/63/805375363.db2.gz NBOSEXPKCQVADO-UHFFFAOYSA-N -1 0 311.342 -0.642 20 0 DBADRM CNC(=O)CN(C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000828543811 805376957 /nfs/dbraw/zinc/37/69/57/805376957.db2.gz YQSFLXGQDXEGNF-STQMWFEESA-N -1 0 309.366 -0.096 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C2(NC(=O)[O-])CC2)C1 ZINC000828573471 805377701 /nfs/dbraw/zinc/37/77/01/805377701.db2.gz RDXZOFNYAOJAMU-MRVPVSSYSA-N -1 0 305.356 -0.673 20 0 DBADRM COC(=O)CC1(NC(=O)COC2CN(C(=O)[O-])C2)CCC1 ZINC000828656037 805380613 /nfs/dbraw/zinc/38/06/13/805380613.db2.gz MSILEBXFPMEYIA-UHFFFAOYSA-N -1 0 300.311 -0.033 20 0 DBADRM COCCC(=O)NCCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001293091742 805383106 /nfs/dbraw/zinc/38/31/06/805383106.db2.gz HDEYUJIPHASXBW-UHFFFAOYSA-N -1 0 321.337 -0.705 20 0 DBADRM CC(C)NC(=O)NCCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000828837818 805385425 /nfs/dbraw/zinc/38/54/25/805385425.db2.gz MJCVXJIIGMZXRC-UHFFFAOYSA-N -1 0 322.325 -0.678 20 0 DBADRM CCCC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000829177105 805389781 /nfs/dbraw/zinc/38/97/81/805389781.db2.gz HYEBQJDCYLSTMM-NXEZZACHSA-N -1 0 314.338 -0.090 20 0 DBADRM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)CCc2nnn[n-]2)C1 ZINC001293158554 805390818 /nfs/dbraw/zinc/39/08/18/805390818.db2.gz RAMIFTUJHCKKHT-MRVPVSSYSA-N -1 0 322.398 -0.044 20 0 DBADRM CC[S@](=O)CCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC000829294447 805393406 /nfs/dbraw/zinc/39/34/06/805393406.db2.gz REJYUSIZQZTFDZ-SFHVURJKSA-N -1 0 306.365 -0.173 20 0 DBADRM CCn1nc(C)c(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC000829707328 805399327 /nfs/dbraw/zinc/39/93/27/805399327.db2.gz YZYPHAKTRHXEIO-JTQLQIEISA-N -1 0 317.371 -0.510 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)c2ncn(C)n2)c1[O-] ZINC001293242708 805402304 /nfs/dbraw/zinc/40/23/04/805402304.db2.gz BGRXVGSDFJDZEJ-UHFFFAOYSA-N -1 0 307.314 -0.898 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)NCCO[C@H]1CC1(F)F ZINC000829986770 805411500 /nfs/dbraw/zinc/41/15/00/805411500.db2.gz CVOWAYJJKRWFRH-VIFPVBQESA-N -1 0 308.281 -0.246 20 0 DBADRM CC(C)[C@H](F)C(=O)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001293472342 805426010 /nfs/dbraw/zinc/42/60/10/805426010.db2.gz GJFSOVMUSGLYQQ-VIFPVBQESA-N -1 0 317.321 -0.694 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](CCO)C2CC2)c1 ZINC000830373394 805431226 /nfs/dbraw/zinc/43/12/26/805431226.db2.gz XFMDNOODHLRGPL-LLVKDONJSA-N -1 0 314.363 -0.070 20 0 DBADRM C[C@@](CO)(NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1CC1 ZINC000830384896 805432514 /nfs/dbraw/zinc/43/25/14/805432514.db2.gz FCAMJBGOXVZERT-ZDUSSCGKSA-N -1 0 314.363 -0.070 20 0 DBADRM Cn1[n-]c(C(=O)N2CCCC[C@H]2CS(N)(=O)=O)cc1=O ZINC000830565174 805437085 /nfs/dbraw/zinc/43/70/85/805437085.db2.gz KNWFJOPVTQCGGX-QMMMGPOBSA-N -1 0 302.356 -0.591 20 0 DBADRM C/C=C(\C)C(=O)N(C)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001293687283 805440563 /nfs/dbraw/zinc/44/05/63/805440563.db2.gz XQDGIZLZQDKVPZ-LLGDCAAFSA-N -1 0 323.353 -0.285 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000830795737 805441016 /nfs/dbraw/zinc/44/10/16/805441016.db2.gz OIQKJOAPJNEOBL-HQJQHLMTSA-N -1 0 307.272 -0.208 20 0 DBADRM C[C@@H]1CCN(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)C[C@@H]1C(=O)[O-] ZINC000831038093 805444742 /nfs/dbraw/zinc/44/47/42/805444742.db2.gz CWWFUXKQYBSKFH-VGMNWLOBSA-N -1 0 312.326 -0.631 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000831016566 805444788 /nfs/dbraw/zinc/44/47/88/805444788.db2.gz QFKFQAHAAQDIKG-NXEZZACHSA-N -1 0 321.399 -0.322 20 0 DBADRM NC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831208973 805448671 /nfs/dbraw/zinc/44/86/71/805448671.db2.gz XXCIVRBIOBSIIR-ZJUUUORDSA-N -1 0 314.342 -0.728 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)OC1([C@@H]2CCOC2)CC1 ZINC000831490030 805455008 /nfs/dbraw/zinc/45/50/08/805455008.db2.gz ZRHXZISFISZQBI-SNVBAGLBSA-N -1 0 312.322 -0.079 20 0 DBADRM NC(=O)CO[N-]C(=O)CN1CC[C@@H](c2ccccc2)NC1=O ZINC000831651989 805461112 /nfs/dbraw/zinc/46/11/12/805461112.db2.gz SGNBYEQFOZXGGU-NSHDSACASA-N -1 0 306.322 -0.324 20 0 DBADRM COC(=O)CCN(CC(OC)OC)C(=O)c1cc(=O)n(C)[n-]1 ZINC000831924792 805467901 /nfs/dbraw/zinc/46/79/01/805467901.db2.gz NEBJTSVASGIQSC-UHFFFAOYSA-N -1 0 315.326 -0.250 20 0 DBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCS(=O)CC2)C1 ZINC000831996953 805470209 /nfs/dbraw/zinc/47/02/09/805470209.db2.gz KVHQHTVHQAOPFA-SNVBAGLBSA-N -1 0 304.368 -0.264 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000832049836 805472038 /nfs/dbraw/zinc/47/20/38/805472038.db2.gz KBSPXRUKVIMSAS-LLVKDONJSA-N -1 0 321.337 -0.496 20 0 DBADRM Nc1ccccc1S(=O)(=O)NCC(=O)[N-]OCC(F)F ZINC000832187548 805474281 /nfs/dbraw/zinc/47/42/81/805474281.db2.gz XLQOBCDDFFNMIG-UHFFFAOYSA-N -1 0 309.294 -0.140 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)OCCN2C(=O)CNC2=O)C1 ZINC000832331685 805478925 /nfs/dbraw/zinc/47/89/25/805478925.db2.gz IGVDRTMQCTWMTQ-DTWKUNHWSA-N -1 0 313.310 -0.092 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)OCCN2C(=O)CNC2=O)C1 ZINC000832331684 805479007 /nfs/dbraw/zinc/47/90/07/805479007.db2.gz IGVDRTMQCTWMTQ-BDAKNGLRSA-N -1 0 313.310 -0.092 20 0 DBADRM CO[N-]C(=O)CNC(=O)CN1CC[C@@H](c2ccccc2)NC1=O ZINC000832746297 805490143 /nfs/dbraw/zinc/49/01/43/805490143.db2.gz YHHLMAZDQDZWGG-LBPRGKRZSA-N -1 0 320.349 -0.063 20 0 DBADRM CCOC(=O)[C@H]1CCCN(CC(=O)NCC(=O)[N-]OC)C1 ZINC000832741734 805490317 /nfs/dbraw/zinc/49/03/17/805490317.db2.gz WQMDBUHZLFURCY-JTQLQIEISA-N -1 0 301.343 -0.945 20 0 DBADRM CO[N-]C(=O)CNC(=O)CNC(=O)c1ccc(F)cc1F ZINC000832757686 805490348 /nfs/dbraw/zinc/49/03/48/805490348.db2.gz KSHBICBTCQFUGN-UHFFFAOYSA-N -1 0 301.249 -0.512 20 0 DBADRM CO[N-]C(=O)CNC(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000832757425 805490655 /nfs/dbraw/zinc/49/06/55/805490655.db2.gz FLNURFHXWRTVSS-UHFFFAOYSA-N -1 0 301.249 -0.512 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000832767151 805491595 /nfs/dbraw/zinc/49/15/95/805491595.db2.gz WOJLAIPNVVCLCI-SECBINFHSA-N -1 0 309.297 -0.028 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCn1cc(Br)cn1 ZINC000832769805 805491794 /nfs/dbraw/zinc/49/17/94/805491794.db2.gz NXXLEBGUMGFXSE-UHFFFAOYSA-N -1 0 305.132 -0.171 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O ZINC000832773723 805491847 /nfs/dbraw/zinc/49/18/47/805491847.db2.gz ZWPKRUBIZONTDX-ZDUSSCGKSA-N -1 0 305.334 -0.246 20 0 DBADRM CO[N-]C(=O)CNC(=O)CN1c2ccccc2OCCC1=O ZINC000832776172 805493189 /nfs/dbraw/zinc/49/31/89/805493189.db2.gz IWMQTYJRRZPDAG-UHFFFAOYSA-N -1 0 307.306 -0.404 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000834158797 805496066 /nfs/dbraw/zinc/49/60/66/805496066.db2.gz VYZGAUJYMIGVBN-VXGBXAGGSA-N -1 0 322.369 -0.184 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)NC2CCS(=O)(=O)CC2)cn1 ZINC000834279371 805496079 /nfs/dbraw/zinc/49/60/79/805496079.db2.gz IOCLXXASGQEXKD-UHFFFAOYSA-N -1 0 314.323 -0.127 20 0 DBADRM COCCN(CCNC(=O)NCc1cn(C)nn1)C(=O)[O-] ZINC000833886086 805496270 /nfs/dbraw/zinc/49/62/70/805496270.db2.gz PODJOOAGPMAEAZ-UHFFFAOYSA-N -1 0 300.319 -0.759 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCC[C@H](Cn3ccnn3)C2)C1 ZINC000834158796 805496450 /nfs/dbraw/zinc/49/64/50/805496450.db2.gz VYZGAUJYMIGVBN-RYUDHWBXSA-N -1 0 322.369 -0.184 20 0 DBADRM CCCn1nccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000834324551 805497255 /nfs/dbraw/zinc/49/72/55/805497255.db2.gz BBMYPYAQBAKAPU-UHFFFAOYSA-N -1 0 302.356 -0.511 20 0 DBADRM Cc1ccn2cnc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c2c1 ZINC000834325075 805497339 /nfs/dbraw/zinc/49/73/39/805497339.db2.gz UOHXLFFCCQWJLE-UHFFFAOYSA-N -1 0 324.362 -0.162 20 0 DBADRM CC(C)(O)CO[N-]C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000834624442 805513522 /nfs/dbraw/zinc/51/35/22/805513522.db2.gz HGKFKNNMGBIQMV-JTQLQIEISA-N -1 0 315.351 -0.465 20 0 DBADRM CC(C)(O)CO[N-]C(=O)COCC(=O)NCc1cccnc1 ZINC000834624648 805513940 /nfs/dbraw/zinc/51/39/40/805513940.db2.gz LDEYTKNIWVEYKD-UHFFFAOYSA-N -1 0 311.338 -0.467 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2nnn(C(C)(C)C)n2)C1=O ZINC000834788405 805517296 /nfs/dbraw/zinc/51/72/96/805517296.db2.gz AGLZUROMEDFXPR-LBPRGKRZSA-N -1 0 309.330 -0.207 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccn3nnnc3c2)C1=O ZINC000834790085 805517531 /nfs/dbraw/zinc/51/75/31/805517531.db2.gz OGPBMKWYYKUGPX-LBPRGKRZSA-N -1 0 303.282 -0.510 20 0 DBADRM O=C(C[C@H]1CCC(=O)NC1)[N-]S(=O)(=O)N1CCCCC1 ZINC000835099462 805519113 /nfs/dbraw/zinc/51/91/13/805519113.db2.gz YSLHKOSNAINPBI-SNVBAGLBSA-N -1 0 303.384 -0.250 20 0 DBADRM O=C(COCC1CCCC1)[N-]S(=O)(=O)N1CCOCC1 ZINC000835184489 805519722 /nfs/dbraw/zinc/51/97/22/805519722.db2.gz IXRUDVOTMWOUBX-UHFFFAOYSA-N -1 0 306.384 -0.114 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccn1 ZINC000835297285 805520667 /nfs/dbraw/zinc/52/06/67/805520667.db2.gz YVCGCWNWDMCEHP-IUCAKERBSA-N -1 0 316.335 -0.144 20 0 DBADRM CCc1csc(S(=O)(=O)[N-]C(=O)c2cnnn2C)n1 ZINC000835589273 805520862 /nfs/dbraw/zinc/52/08/62/805520862.db2.gz FLWUCOGNUZPWAN-UHFFFAOYSA-N -1 0 301.353 -0.047 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cc1ccc(C)nc1 ZINC000835218542 805520955 /nfs/dbraw/zinc/52/09/55/805520955.db2.gz KHTSNYFAPICCGV-UHFFFAOYSA-N -1 0 301.368 -0.128 20 0 DBADRM CC(C)c1nc(S(=O)(=O)[N-]C(=O)c2cnn(C)n2)cn1C ZINC000836139183 805523393 /nfs/dbraw/zinc/52/33/93/805523393.db2.gz FRPMFFQFUFKQEA-UHFFFAOYSA-N -1 0 312.355 -0.209 20 0 DBADRM CC1=C(C(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@H](C)n2ncnc2N1C ZINC000836716639 805528580 /nfs/dbraw/zinc/52/85/80/805528580.db2.gz ZQKSHGQFVWDWHD-VHSXEESVSA-N -1 0 321.337 -0.125 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)[N-]O[C@H](CO)C(C)C)c(=O)c1 ZINC000836901107 805529950 /nfs/dbraw/zinc/52/99/50/805529950.db2.gz VQBGIEQLZZFIRN-IUODEOHRSA-N -1 0 312.366 -0.028 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1c[nH]nc1Cl)C(=O)[O-] ZINC000837287880 805532330 /nfs/dbraw/zinc/53/23/30/805532330.db2.gz JYELBWQKOZIELZ-VDTYLAMSSA-N -1 0 311.747 -0.044 20 0 DBADRM C[C@@](CO)(CNS(=O)(=O)c1c[nH]nc1Cl)CC(=O)[O-] ZINC000837291059 805532636 /nfs/dbraw/zinc/53/26/36/805532636.db2.gz CXGYDDGETVDAKZ-VIFPVBQESA-N -1 0 311.747 -0.185 20 0 DBADRM CCOC(=O)c1cc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])cn1C ZINC000837295982 805532768 /nfs/dbraw/zinc/53/27/68/805532768.db2.gz GQKKJZPDNSPZIF-MRVPVSSYSA-N -1 0 322.314 -0.097 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(=O)OC)C1 ZINC000838800686 805545434 /nfs/dbraw/zinc/54/54/34/805545434.db2.gz JXTOVCHPGTZZAS-IUCAKERBSA-N -1 0 321.351 -0.415 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000838804371 805545571 /nfs/dbraw/zinc/54/55/71/805545571.db2.gz TZXVQXLNUDVQGG-MRVPVSSYSA-N -1 0 320.367 -0.748 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccn1 ZINC000838797764 805545886 /nfs/dbraw/zinc/54/58/86/805545886.db2.gz PXRVGXHDUZCIOK-QMMMGPOBSA-N -1 0 302.308 -0.532 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000838812821 805546652 /nfs/dbraw/zinc/54/66/52/805546652.db2.gz PTUDICZHFDIRBU-AEJSXWLSSA-N -1 0 302.352 -0.705 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000838846555 805546746 /nfs/dbraw/zinc/54/67/46/805546746.db2.gz AAFRPBZBROAYFV-QMMMGPOBSA-N -1 0 318.351 -0.994 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cnc(OCC)cn1 ZINC000838846860 805546898 /nfs/dbraw/zinc/54/68/98/805546898.db2.gz ODNSBCNNBPSMRS-UHFFFAOYSA-N -1 0 317.323 -0.502 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000838807762 805547177 /nfs/dbraw/zinc/54/71/77/805547177.db2.gz RQNVRHKRRBYMOX-UHFFFAOYSA-N -1 0 303.340 -0.060 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(OC)c1OC ZINC000838804870 805547184 /nfs/dbraw/zinc/54/71/84/805547184.db2.gz UZVPXTAWQGIJKH-UHFFFAOYSA-N -1 0 317.319 -0.064 20 0 DBADRM CNC(=O)[C@@H](O)CNC(=O)c1cccc(Br)c1[O-] ZINC000839741361 805560266 /nfs/dbraw/zinc/56/02/66/805560266.db2.gz QRIVONTWTXKEIL-QMMMGPOBSA-N -1 0 317.139 -0.009 20 0 DBADRM O=C(N[C@@H]1CC(=O)N(CC2CC2)C1)c1c[n-]n2c1nccc2=O ZINC000882930002 807006144 /nfs/dbraw/zinc/00/61/44/807006144.db2.gz WMNYWZSDLOPDDC-SNVBAGLBSA-N -1 0 315.333 -0.237 20 0 DBADRM O=C([N-]OCCC(F)(F)F)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC001324793292 807006194 /nfs/dbraw/zinc/00/61/94/807006194.db2.gz CZDJPMIIYLPYJU-SSDOTTSWSA-N -1 0 323.271 -0.134 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CF)C2)CCO1 ZINC000883635238 807018542 /nfs/dbraw/zinc/01/85/42/807018542.db2.gz NJDDFOPDKCIZQA-ZJUUUORDSA-N -1 0 302.302 -0.494 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC(F)CC1)C2 ZINC000883636450 807019177 /nfs/dbraw/zinc/01/91/77/807019177.db2.gz SQNSAOHCGDNTIO-YMTOWFKASA-N -1 0 314.313 -0.494 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC001324998416 807023505 /nfs/dbraw/zinc/02/35/05/807023505.db2.gz CUZVUZINQPFANA-UWVGGRQHSA-N -1 0 322.383 -0.847 20 0 DBADRM CCOC(=O)CC[C@@H](C)NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001325141575 807040216 /nfs/dbraw/zinc/04/02/16/807040216.db2.gz LDJHAQTYEDUPFC-GHMZBOCLSA-N -1 0 316.354 -0.081 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])CCS1 ZINC000884474819 807050758 /nfs/dbraw/zinc/05/07/58/807050758.db2.gz NAUKBRUGWBUPTO-SECBINFHSA-N -1 0 304.368 -0.442 20 0 DBADRM CCN1C[C@H](C)N(C(=O)C(=O)NCCOCC(=O)[O-])C[C@@H]1C ZINC000884475069 807050763 /nfs/dbraw/zinc/05/07/63/807050763.db2.gz WMMVITPGKHUKBP-QWRGUYRKSA-N -1 0 315.370 -0.855 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCC2(CC2(F)F)CC1 ZINC000884477375 807050791 /nfs/dbraw/zinc/05/07/91/807050791.db2.gz VIYRMZGZEFSKEJ-UHFFFAOYSA-N -1 0 320.292 -0.148 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCc2ccccc2CC1 ZINC000884476484 807051066 /nfs/dbraw/zinc/05/10/66/807051066.db2.gz RDDVNPXSPDHIDG-UHFFFAOYSA-N -1 0 320.345 -0.169 20 0 DBADRM CCOC(=O)C[C@H]1CCCN1C(=O)C(=O)NCCC(=O)[O-] ZINC001325399961 807067359 /nfs/dbraw/zinc/06/73/59/807067359.db2.gz VMEIAKMYVSBUOP-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC001325734971 807096840 /nfs/dbraw/zinc/09/68/40/807096840.db2.gz GWZFBORGYVKZKF-UHFFFAOYSA-N -1 0 311.220 -0.866 20 0 DBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC001325840485 807109469 /nfs/dbraw/zinc/10/94/69/807109469.db2.gz XFWKCYVGIXTSSS-QMMMGPOBSA-N -1 0 308.743 -0.010 20 0 DBADRM COC(=O)CCS(=O)(=O)NN=c1[n-]ncc(N)c1Cl ZINC001325940424 807120110 /nfs/dbraw/zinc/12/01/10/807120110.db2.gz JTGTVSZYPVFBKA-UHFFFAOYSA-N -1 0 309.735 -0.478 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)NCCCn2cc(CO)nn2)C1 ZINC001326062296 807140455 /nfs/dbraw/zinc/14/04/55/807140455.db2.gz UBRJORAOCARBRQ-VHSXEESVSA-N -1 0 311.342 -0.287 20 0 DBADRM CN(CCCF)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000887052373 807146927 /nfs/dbraw/zinc/14/69/27/807146927.db2.gz SWRILQYRDXGQFA-NOZJJQNGSA-N -1 0 302.302 -0.636 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)[N-]OCC(N)=O)c(F)c1 ZINC001326116589 807147613 /nfs/dbraw/zinc/14/76/13/807147613.db2.gz KNCVSIWHUNXDEH-UHFFFAOYSA-N -1 0 313.241 -0.916 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cc[n+]([O-])cc1 ZINC001326187328 807158565 /nfs/dbraw/zinc/15/85/65/807158565.db2.gz FTTMXFFTRWLJEC-UHFFFAOYSA-N -1 0 304.324 -0.957 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@](F)(CO)C2)CC1 ZINC001326200752 807159842 /nfs/dbraw/zinc/15/98/42/807159842.db2.gz RNUGIJQPQVNTDZ-CQSZACIVSA-N -1 0 316.329 -0.367 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1 ZINC001326199014 807159934 /nfs/dbraw/zinc/15/99/34/807159934.db2.gz HGBGBJLJTWPUID-WDEREUQCSA-N -1 0 312.366 -0.071 20 0 DBADRM COC(=O)N1CCCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001326242964 807163464 /nfs/dbraw/zinc/16/34/64/807163464.db2.gz YZCRKOAWUPYASJ-UHFFFAOYSA-N -1 0 315.326 -0.732 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)C1 ZINC001326278311 807166417 /nfs/dbraw/zinc/16/64/17/807166417.db2.gz QRMFYMLLTFKHJL-MNOVXSKESA-N -1 0 309.366 -0.338 20 0 DBADRM Cn1cc(CCCNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cn1 ZINC001326377931 807175367 /nfs/dbraw/zinc/17/53/67/807175367.db2.gz OZBVHQWBCGCWIO-GFCCVEGCSA-N -1 0 310.354 -0.447 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC001326389731 807177219 /nfs/dbraw/zinc/17/72/19/807177219.db2.gz AZHUTWKOALZWHD-UHFFFAOYSA-N -1 0 303.340 -0.023 20 0 DBADRM Cc1nc2cc[n-]n2c(=O)c1CC(=O)NCCOCCCO ZINC001326424737 807179555 /nfs/dbraw/zinc/17/95/55/807179555.db2.gz ABWYJDJBSAWWBL-UHFFFAOYSA-N -1 0 308.338 -0.611 20 0 DBADRM Cn1cc(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)nn1 ZINC001326487945 807186979 /nfs/dbraw/zinc/18/69/79/807186979.db2.gz YCAWCWKAZQUYDO-UHFFFAOYSA-N -1 0 301.266 -0.506 20 0 DBADRM O=C(c1ccc2nonc2c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001326495827 807187546 /nfs/dbraw/zinc/18/75/46/807187546.db2.gz CJQCXTLYFSELGG-JTQLQIEISA-N -1 0 301.266 -0.050 20 0 DBADRM Cc1noc(C)c1NC(=O)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001326503402 807187853 /nfs/dbraw/zinc/18/78/53/807187853.db2.gz SBKQDPHZRQMJIQ-SNVBAGLBSA-N -1 0 321.293 -0.094 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H](n3cncn3)C2)C1 ZINC001326547553 807192350 /nfs/dbraw/zinc/19/23/50/807192350.db2.gz PCWZQJRPVFMULZ-VWYCJHECSA-N -1 0 321.337 -0.579 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCCc2c1cnn2C ZINC001326630507 807199275 /nfs/dbraw/zinc/19/92/75/807199275.db2.gz FNXPRAMDJFBUIL-JTQLQIEISA-N -1 0 323.353 -0.902 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC1CCC(F)(F)CC1 ZINC001326632683 807200340 /nfs/dbraw/zinc/20/03/40/807200340.db2.gz LSBZOWXAIQPGOF-UHFFFAOYSA-N -1 0 307.297 -0.136 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[C@H]1CCO[C@@H](C)C1 ZINC001326681966 807205057 /nfs/dbraw/zinc/20/50/57/807205057.db2.gz NYOPVYKJJPJBGO-QWRGUYRKSA-N -1 0 315.370 -0.508 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(C)cc1OC ZINC001326682645 807205142 /nfs/dbraw/zinc/20/51/42/807205142.db2.gz PJAIASLEFJXGNM-UHFFFAOYSA-N -1 0 323.349 -0.196 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1cscn1 ZINC001327039690 807236342 /nfs/dbraw/zinc/23/63/42/807236342.db2.gz YXEBEKSLTRPOSC-UHFFFAOYSA-N -1 0 300.340 -0.715 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)CCO1 ZINC000898863345 807240547 /nfs/dbraw/zinc/24/05/47/807240547.db2.gz HRMKRCHSWLXJMH-GHMZBOCLSA-N -1 0 311.338 -0.508 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCCO[C@@H]1CCOC1 ZINC001327108883 807241894 /nfs/dbraw/zinc/24/18/94/807241894.db2.gz YEJNMODFLJRBFV-NWDGAFQWSA-N -1 0 316.354 -0.618 20 0 DBADRM CC(C)(C)n1[n-]cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1=O ZINC000899238145 807254107 /nfs/dbraw/zinc/25/41/07/807254107.db2.gz XHJHSGPQGKTWSB-IUCAKERBSA-N -1 0 301.368 -0.468 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCN1CCNC1=O ZINC000899472150 807261023 /nfs/dbraw/zinc/26/10/23/807261023.db2.gz JEQNKLSQZNTVAR-QMMMGPOBSA-N -1 0 324.303 -0.169 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)N2CCCOCC2)C1 ZINC000899555755 807263552 /nfs/dbraw/zinc/26/35/52/807263552.db2.gz ULENZDOORBNIQZ-MNOVXSKESA-N -1 0 306.384 -0.004 20 0 DBADRM CCN([C@H](C)C(=O)[O-])S(=O)(=O)N(CCOC)CCOC ZINC000899561381 807263702 /nfs/dbraw/zinc/26/37/02/807263702.db2.gz OEPZZOBFQZSTTQ-SNVBAGLBSA-N -1 0 312.388 -0.379 20 0 DBADRM COCCOCCS(=O)(=O)N1C[C@@H]2CC[C@]2(C(=O)[O-])C1 ZINC000899950318 807277719 /nfs/dbraw/zinc/27/77/19/807277719.db2.gz CFZFHGNYMYWBHZ-JQWIXIFHSA-N -1 0 307.368 -0.224 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)n1 ZINC001327430758 807282390 /nfs/dbraw/zinc/28/23/90/807282390.db2.gz XAENIPRWHVGYDI-UHFFFAOYSA-N -1 0 322.365 -0.208 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCC(=O)N1CCCC1 ZINC001327445759 807285196 /nfs/dbraw/zinc/28/51/96/807285196.db2.gz XIHZUYXEZJDPGO-UHFFFAOYSA-N -1 0 320.305 -0.543 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001327476247 807288466 /nfs/dbraw/zinc/28/84/66/807288466.db2.gz AASQGGDJEUBYEN-GFCCVEGCSA-N -1 0 304.368 -0.195 20 0 DBADRM C[C@@](CNC(=O)CN1C(=O)CNC1=O)(C(=O)[O-])c1ccccc1 ZINC001327477915 807288809 /nfs/dbraw/zinc/28/88/09/807288809.db2.gz OEXHTRGHDCFSNM-HNNXBMFYSA-N -1 0 319.317 -0.303 20 0 DBADRM COC[C@@H](CCO)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001327478497 807289600 /nfs/dbraw/zinc/28/96/00/807289600.db2.gz HFNZQIQRRXMWPP-MRVPVSSYSA-N -1 0 311.294 -0.768 20 0 DBADRM COC[C@@H](C)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001327480703 807289719 /nfs/dbraw/zinc/28/97/19/807289719.db2.gz RWYITMFGLURNAS-MRVPVSSYSA-N -1 0 312.326 -0.208 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(C)nc1 ZINC001327496375 807292463 /nfs/dbraw/zinc/29/24/63/807292463.db2.gz SQMWVUHRCRWDJW-UHFFFAOYSA-N -1 0 308.338 -0.767 20 0 DBADRM C[S@@](=O)C1(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)CCC1 ZINC001327514901 807296967 /nfs/dbraw/zinc/29/69/67/807296967.db2.gz UFEBUZVLFOLWIK-CHNSCGDPSA-N -1 0 318.395 -0.512 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001327591084 807308623 /nfs/dbraw/zinc/30/86/23/807308623.db2.gz BYNGESPKCPDDLW-FZMZJTMJSA-N -1 0 300.355 -0.201 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)/C=C\c1ccncn1)OC ZINC001327616989 807314564 /nfs/dbraw/zinc/31/45/64/807314564.db2.gz ODBSMHJVAXTIPB-DLRQAJBASA-N -1 0 315.351 -0.403 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)C3(C(=O)[O-])CC=CC3)CC2)C1=O ZINC001327629412 807315986 /nfs/dbraw/zinc/31/59/86/807315986.db2.gz XYGJKICEQCSPIU-UHFFFAOYSA-N -1 0 321.333 -0.050 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001327642088 807317806 /nfs/dbraw/zinc/31/78/06/807317806.db2.gz ZLOGFQSTMCIXCJ-UHFFFAOYSA-N -1 0 300.278 -0.217 20 0 DBADRM O=C([O-])[C@H]1COCCN1c1cc(N2CCC[C@H](CO)C2)ncn1 ZINC000900943256 807334218 /nfs/dbraw/zinc/33/42/18/807334218.db2.gz FCXAMFNBLFAGBN-NWDGAFQWSA-N -1 0 322.365 -0.025 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NC[C@@H]1CCCNC1=O ZINC001327805862 807339022 /nfs/dbraw/zinc/33/90/22/807339022.db2.gz NSJNSQSVSAYZDD-QMMMGPOBSA-N -1 0 320.305 -0.639 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001327805474 807339053 /nfs/dbraw/zinc/33/90/53/807339053.db2.gz IBQDMFZGYSLSHW-UHFFFAOYSA-N -1 0 308.294 -0.687 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001327819353 807340592 /nfs/dbraw/zinc/34/05/92/807340592.db2.gz PVDYJHXYNQFBKA-XQRVVYSFSA-N -1 0 316.335 -0.001 20 0 DBADRM C[C@@H](CN1CCCC1=O)NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001327912136 807355348 /nfs/dbraw/zinc/35/53/48/807355348.db2.gz ZTIMRPYOGKHXHS-JTQLQIEISA-N -1 0 313.354 -0.660 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001327932346 807357499 /nfs/dbraw/zinc/35/74/99/807357499.db2.gz JJXNRAVTCYJSPC-LLVKDONJSA-N -1 0 314.338 -0.817 20 0 DBADRM Cn1cc(C(=O)NCC(=O)[O-])c(I)n1 ZINC000901430702 807363890 /nfs/dbraw/zinc/36/38/90/807363890.db2.gz HCBOPWAQFNZIHV-UHFFFAOYSA-N -1 0 309.063 -0.161 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CNC(=O)c3ccccc32)CCO1 ZINC000901449361 807364913 /nfs/dbraw/zinc/36/49/13/807364913.db2.gz PUDVAVWSJQIDRB-RYUDHWBXSA-N -1 0 304.302 -0.174 20 0 DBADRM CN1C(=O)COc2ccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc21 ZINC000901454296 807364921 /nfs/dbraw/zinc/36/49/21/807364921.db2.gz SWDFLQSYMQQFSL-GFCCVEGCSA-N -1 0 320.301 -0.033 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000901616463 807365589 /nfs/dbraw/zinc/36/55/89/807365589.db2.gz FGKRFCIRLGYLLV-RQJHMYQMSA-N -1 0 312.244 -0.245 20 0 DBADRM Cc1c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])ccn1C ZINC000901653149 807365636 /nfs/dbraw/zinc/36/56/36/807365636.db2.gz SULLPIIMGVDNEZ-SNVBAGLBSA-N -1 0 300.336 -0.343 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C2(C(=O)[O-])CCSCC2)CCO1 ZINC000901592543 807365687 /nfs/dbraw/zinc/36/56/87/807365687.db2.gz FISHLMVNKBDVKO-SECBINFHSA-N -1 0 317.363 -0.015 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CCN2C1=O ZINC000901850787 807366083 /nfs/dbraw/zinc/36/60/83/807366083.db2.gz YMLNDCNZPRJFND-BBBLOLIVSA-N -1 0 309.322 -0.408 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000901805954 807366244 /nfs/dbraw/zinc/36/62/44/807366244.db2.gz OOTLXJMOOUUGEF-CYBMUJFWSA-N -1 0 306.318 -0.213 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000902147282 807369055 /nfs/dbraw/zinc/36/90/55/807369055.db2.gz LYFIFUCPCCRJGH-NSHDSACASA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CC[C@@H]1C(=O)[O-] ZINC000902173066 807369561 /nfs/dbraw/zinc/36/95/61/807369561.db2.gz GEHXNJGSEQUBPJ-ZJUUUORDSA-N -1 0 306.384 -0.163 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CSCN2C(C)=O)C1 ZINC000902311487 807371525 /nfs/dbraw/zinc/37/15/25/807371525.db2.gz QRDKYWLBUCSWQU-GWCFXTLKSA-N -1 0 316.379 -0.143 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@H](O)C2CCOCC2)C1 ZINC000902310188 807371622 /nfs/dbraw/zinc/37/16/22/807371622.db2.gz JCUVMKMAQBZUDC-BXUZGUMPSA-N -1 0 301.339 -0.276 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)/C=C2\SCC(=O)N2C)C1 ZINC000902305085 807372279 /nfs/dbraw/zinc/37/22/79/807372279.db2.gz PNJYJRFICISZSN-PTJCHJMSSA-N -1 0 314.363 -0.017 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)[C@@H](C(=O)[O-])C3CCCC3)C[C@H]2C1=O ZINC000902444127 807374050 /nfs/dbraw/zinc/37/40/50/807374050.db2.gz IAAZDARWHKMDGD-AXFHLTTASA-N -1 0 308.334 -0.049 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)[C@]3(C(=O)[O-])CC=CCC3)C[C@H]2C1=O ZINC000902447107 807374328 /nfs/dbraw/zinc/37/43/28/807374328.db2.gz XMFFOXMDKVDQJL-WMFXKJRFSA-N -1 0 306.318 -0.129 20 0 DBADRM CC(C)Cn1ccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC000902770051 807380645 /nfs/dbraw/zinc/38/06/45/807380645.db2.gz BTGSTMZYQILEAB-UHFFFAOYSA-N -1 0 308.338 -0.092 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000902763482 807380666 /nfs/dbraw/zinc/38/06/66/807380666.db2.gz XLPYZMRWPHEZTO-BDAKNGLRSA-N -1 0 306.322 -0.046 20 0 DBADRM Cn1nc2c(c1C(=O)N1CCN(C(=O)C(=O)[O-])CC1)CCCC2 ZINC000902770178 807381302 /nfs/dbraw/zinc/38/13/02/807381302.db2.gz FWIIKEQYQSOYPC-UHFFFAOYSA-N -1 0 320.349 -0.332 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC000902774387 807381498 /nfs/dbraw/zinc/38/14/98/807381498.db2.gz GFKTZOYVVMGXRC-JTQLQIEISA-N -1 0 311.338 -1.000 20 0 DBADRM CN(C)c1ccnc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000902775949 807381642 /nfs/dbraw/zinc/38/16/42/807381642.db2.gz GPFLTHNERYBYDI-UHFFFAOYSA-N -1 0 306.322 -0.483 20 0 DBADRM COCCCOCCC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000902772727 807381740 /nfs/dbraw/zinc/38/17/40/807381740.db2.gz TVKPGXROOBLODI-UHFFFAOYSA-N -1 0 302.327 -0.815 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2CCc3nccn3C2)CC1 ZINC000902773152 807381883 /nfs/dbraw/zinc/38/18/83/807381883.db2.gz XRCUEAJUSHJAEY-JTQLQIEISA-N -1 0 306.322 -0.799 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)C2(c3cccnc3)CC2)CC1 ZINC000902775583 807382063 /nfs/dbraw/zinc/38/20/63/807382063.db2.gz ZRJRAXTWBVBDGG-UHFFFAOYSA-N -1 0 303.318 -0.131 20 0 DBADRM CC(C)Cn1nccc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000902775382 807382110 /nfs/dbraw/zinc/38/21/10/807382110.db2.gz VYNMXDMVABKGIM-UHFFFAOYSA-N -1 0 308.338 -0.092 20 0 DBADRM CCN(CC)C(=O)CCC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000902778990 807382631 /nfs/dbraw/zinc/38/26/31/807382631.db2.gz MJYGTWJQVCYNNQ-UHFFFAOYSA-N -1 0 313.354 -0.610 20 0 DBADRM Cc1cc(CN2c3c(cnn3C)C([O-])=CS2(=O)=O)nn1C ZINC000902834372 807382811 /nfs/dbraw/zinc/38/28/11/807382811.db2.gz SYFQRAXLZJZSRO-UHFFFAOYSA-N -1 0 309.351 -0.005 20 0 DBADRM O=C(NCCN1C(=O)CNC1=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001328157639 807386231 /nfs/dbraw/zinc/38/62/31/807386231.db2.gz DAIQRLJJOYVTLN-UHFFFAOYSA-N -1 0 305.250 -0.790 20 0 DBADRM COC[C@@H]1COCCN1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000903533020 807393336 /nfs/dbraw/zinc/39/33/36/807393336.db2.gz ZHYLDDHXGWUIHE-WDEREUQCSA-N -1 0 322.383 -0.625 20 0 DBADRM CN(CCCCO)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001328286551 807406100 /nfs/dbraw/zinc/40/61/00/807406100.db2.gz IBOUMRHICSNTEU-UHFFFAOYSA-N -1 0 302.352 -0.116 20 0 DBADRM C[C@H](CO)N(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001328333298 807412574 /nfs/dbraw/zinc/41/25/74/807412574.db2.gz JZOCEOSIIUTOTE-MRVPVSSYSA-N -1 0 312.326 -0.520 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC001328335075 807413610 /nfs/dbraw/zinc/41/36/10/807413610.db2.gz XEVTXPOTEKOEKM-QMMMGPOBSA-N -1 0 319.317 -0.110 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H](C)n1cnc2c1ncnc2N ZINC001328355455 807415397 /nfs/dbraw/zinc/41/53/97/807415397.db2.gz JEPHAZPWFZFITO-ZETCQYMHSA-N -1 0 307.314 -0.847 20 0 DBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)CC1(F)CCC1 ZINC000903840326 807417439 /nfs/dbraw/zinc/41/74/39/807417439.db2.gz GRYBCSWFMLGADE-NTCNTBNZSA-N -1 0 313.372 -0.274 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)Cc2nncn2C)C[C@H]1C(=O)[O-] ZINC001328400182 807422423 /nfs/dbraw/zinc/42/24/23/807422423.db2.gz DPDOKXAQWMOBAQ-VHSXEESVSA-N -1 0 323.353 -0.657 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2nncn2C)C[C@@H]1C(=O)[O-] ZINC001328400183 807422532 /nfs/dbraw/zinc/42/25/32/807422532.db2.gz DPDOKXAQWMOBAQ-ZJUUUORDSA-N -1 0 323.353 -0.657 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@H](COC)C1 ZINC000904937448 807427731 /nfs/dbraw/zinc/42/77/31/807427731.db2.gz YCBQWKDRZPNAGA-NSHDSACASA-N -1 0 316.354 -0.569 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCN(CC(F)F)CC1 ZINC001328450293 807427940 /nfs/dbraw/zinc/42/79/40/807427940.db2.gz JPHJOGITFOCZCF-UHFFFAOYSA-N -1 0 307.297 -0.623 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N(C)[C@@H]1CC[C@H]1OC ZINC000904942953 807428017 /nfs/dbraw/zinc/42/80/17/807428017.db2.gz HSVPCTIEJAFFHG-GHMZBOCLSA-N -1 0 316.354 -0.428 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N(CCOC)CCC(=O)[O-])CCO1 ZINC000904937831 807428102 /nfs/dbraw/zinc/42/81/02/807428102.db2.gz DBSLDXVLELYZBU-LLVKDONJSA-N -1 0 316.354 -0.427 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N(C)C[C@H](C)OC ZINC000904945911 807428740 /nfs/dbraw/zinc/42/87/40/807428740.db2.gz AFCVDODJEYWLDS-JTQLQIEISA-N -1 0 304.343 -0.571 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@H]1COC ZINC000904943981 807429143 /nfs/dbraw/zinc/42/91/43/807429143.db2.gz UDMOYHBXAKPHEX-NSHDSACASA-N -1 0 316.354 -0.427 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)NC1(C(=O)[O-])CCOCC1 ZINC001328477535 807431765 /nfs/dbraw/zinc/43/17/65/807431765.db2.gz JJUCHSANLFMERV-UHFFFAOYSA-N -1 0 312.322 -0.334 20 0 DBADRM CN1CC[C@@H](C(=O)N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])S1(=O)=O ZINC000905006240 807437763 /nfs/dbraw/zinc/43/77/63/807437763.db2.gz MWRVHWXPTFXQTE-JXUBOQSCSA-N -1 0 302.352 -0.801 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)C(=O)[N-]OC[C@H]2CCOC2)C1 ZINC001328639617 807451418 /nfs/dbraw/zinc/45/14/18/807451418.db2.gz WXHUGWVMTIAEDM-GUBZILKMSA-N -1 0 300.311 -0.862 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2nc3ncccn3n2)C1=O ZINC001328677635 807455046 /nfs/dbraw/zinc/45/50/46/807455046.db2.gz BWHNFUBRIMFWSO-GFCCVEGCSA-N -1 0 303.282 -0.510 20 0 DBADRM COC[C@H](NC(=O)N1CCOC[C@@H]1C(=O)[O-])[C@H]1CCCOC1 ZINC000905593132 807464972 /nfs/dbraw/zinc/46/49/72/807464972.db2.gz YWRLFDPTKPDSEZ-SDDRHHMPSA-N -1 0 316.354 -0.077 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1ccn(CC(F)F)n1 ZINC000906295969 807480757 /nfs/dbraw/zinc/48/07/57/807480757.db2.gz NJPXYIPAIJDVKO-UHFFFAOYSA-N -1 0 301.257 -0.545 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)[N-]OCc1ccccc1 ZINC001328872174 807481645 /nfs/dbraw/zinc/48/16/45/807481645.db2.gz BRLAKDYLMJFLCA-SNVBAGLBSA-N -1 0 314.363 -0.216 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCCc2occc21 ZINC001328882869 807483069 /nfs/dbraw/zinc/48/30/69/807483069.db2.gz CCQSNGYTPWIHAW-SNVBAGLBSA-N -1 0 309.322 -0.043 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@@H](OC)C12CCC2 ZINC001328963817 807495754 /nfs/dbraw/zinc/49/57/54/807495754.db2.gz DVIVIFUMTUOLKV-VHSXEESVSA-N -1 0 313.354 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCc2ccc(F)cc2C1 ZINC001329001406 807503534 /nfs/dbraw/zinc/50/35/34/807503534.db2.gz UEFWRTNBNKCKQR-UHFFFAOYSA-N -1 0 323.324 -0.106 20 0 DBADRM CCOC[C@H]1CCCCN1C(=O)C(=O)NCC(=O)[N-]OCC ZINC001328998534 807503846 /nfs/dbraw/zinc/50/38/46/807503846.db2.gz HYMRXTNHNBGTRE-LLVKDONJSA-N -1 0 315.370 -0.412 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)cc1C(=O)[O-] ZINC000906997766 807507919 /nfs/dbraw/zinc/50/79/19/807507919.db2.gz WLTWAMWXYPYXPG-MYJAWHEDSA-N -1 0 300.336 -0.418 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@@]3(O)C[C@H]3C2)cc1C(=O)[O-] ZINC000907042417 807509252 /nfs/dbraw/zinc/50/92/52/807509252.db2.gz UMDWYBMZTXYJHI-QPUJVOFHSA-N -1 0 300.336 -0.131 20 0 DBADRM COCc1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1OC ZINC001329107525 807521724 /nfs/dbraw/zinc/52/17/24/807521724.db2.gz JAOSKHDHKAKBPK-UHFFFAOYSA-N -1 0 311.294 -0.687 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2)C(=O)[O-] ZINC001329113422 807523586 /nfs/dbraw/zinc/52/35/86/807523586.db2.gz KILAGBGNPSPUMK-ZETCQYMHSA-N -1 0 305.294 -0.883 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC001329148349 807529097 /nfs/dbraw/zinc/52/90/97/807529097.db2.gz TZCFTYKQKYGJOH-NXEZZACHSA-N -1 0 322.383 -0.847 20 0 DBADRM CCN1C[C@H](C(=O)N2CCSC[C@@H]2c2nnn[n-]2)CC1=O ZINC000907477079 807531245 /nfs/dbraw/zinc/53/12/45/807531245.db2.gz PNJOVVATHLCQEW-RKDXNWHRSA-N -1 0 310.383 -0.315 20 0 DBADRM CSCC[C@H](O)C(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907478396 807531937 /nfs/dbraw/zinc/53/19/37/807531937.db2.gz XWGBDGFMTYXLHJ-SFYZADRCSA-N -1 0 303.413 -0.070 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)CC(=O)NCC(F)(F)F ZINC001329291365 807547222 /nfs/dbraw/zinc/54/72/22/807547222.db2.gz DKTMBVNOPLFRFT-HZGVNTEJSA-N -1 0 312.244 -0.339 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000907772192 807549831 /nfs/dbraw/zinc/54/98/31/807549831.db2.gz PIJUIVWGCABWSG-KXTOZSSYSA-N -1 0 308.334 -0.398 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCc2cnn(C)c2)CC[C@@H]1C(=O)[O-] ZINC001329434224 807564350 /nfs/dbraw/zinc/56/43/50/807564350.db2.gz QRYXQMGKRCHYEJ-JQWIXIFHSA-N -1 0 322.365 -0.352 20 0 DBADRM Cc1noc(C2CN(C(=O)C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)C2)n1 ZINC001329468227 807571845 /nfs/dbraw/zinc/57/18/45/807571845.db2.gz IQWSPUXOGZHCKB-WCBMZHEXSA-N -1 0 322.321 -0.327 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)ncn1 ZINC001329467275 807572036 /nfs/dbraw/zinc/57/20/36/807572036.db2.gz FUFWERIWSGYKAJ-VHSXEESVSA-N -1 0 306.322 -0.229 20 0 DBADRM COC(=O)[C@@](C)(Cn1cccn1)[N-]S(=O)(=O)C[C@@H](C)OC ZINC000908397955 807591328 /nfs/dbraw/zinc/59/13/28/807591328.db2.gz XDLPXURQIVWMRB-ZYHUDNBSSA-N -1 0 319.383 -0.231 20 0 DBADRM Cc1oc(C(=O)[N-]N2CC(=O)N(C)C2=O)cc1S(C)(=O)=O ZINC001329628526 807595082 /nfs/dbraw/zinc/59/50/82/807595082.db2.gz PWLBJRZBFGZWAB-UHFFFAOYSA-N -1 0 315.307 -0.470 20 0 DBADRM COCCCN1CC(CCO)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001329651919 807599500 /nfs/dbraw/zinc/59/95/00/807599500.db2.gz MTHMGTDMITVGLQ-UHFFFAOYSA-N -1 0 312.370 -0.373 20 0 DBADRM CO[C@@H]1CCN(C(=O)NC[C@H]2COCCO2)[C@H](C(=O)[O-])C1 ZINC000908689619 807601932 /nfs/dbraw/zinc/60/19/32/807601932.db2.gz VRCNNBKYGIMVQQ-VWYCJHECSA-N -1 0 302.327 -0.325 20 0 DBADRM Cn1cnnc1COCC(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000909016896 807606098 /nfs/dbraw/zinc/60/60/98/807606098.db2.gz RLTXKZHZHVPVKB-SECBINFHSA-N -1 0 314.367 -0.250 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)N2CCOC[C@H]2C(=O)[O-])[C@@H]1OC ZINC000909197038 807611633 /nfs/dbraw/zinc/61/16/33/807611633.db2.gz SCPWPJHPWQALGI-MMWGEVLESA-N -1 0 302.327 -0.326 20 0 DBADRM CC(C)[C@@H](O)C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000909198942 807611677 /nfs/dbraw/zinc/61/16/77/807611677.db2.gz HPDGREABCWQHQD-GFCCVEGCSA-N -1 0 300.355 -0.215 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)Cn2nnc3c2CCCC3)CCO1 ZINC000909267990 807612235 /nfs/dbraw/zinc/61/22/35/807612235.db2.gz IOKMWXZAKNAGHR-JTQLQIEISA-N -1 0 308.338 -0.141 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000909299876 807613560 /nfs/dbraw/zinc/61/35/60/807613560.db2.gz UBEHKQYTUUXJMT-LLVKDONJSA-N -1 0 307.372 -0.952 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(c3ncns3)CC2)O1 ZINC000911756404 807620540 /nfs/dbraw/zinc/62/05/40/807620540.db2.gz VBEWUDUCDTZXLQ-BDAKNGLRSA-N -1 0 312.351 -0.181 20 0 DBADRM CCN1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC001329806451 807621613 /nfs/dbraw/zinc/62/16/13/807621613.db2.gz IUIJVUUHVGVECE-UHFFFAOYSA-N -1 0 306.322 -0.118 20 0 DBADRM COCCCn1nc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)ccc1=O ZINC001329809634 807622761 /nfs/dbraw/zinc/62/27/61/807622761.db2.gz QXYUJLIYNDNIKD-MGCOHNPYSA-N -1 0 309.322 -0.127 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)c2ncnn21 ZINC001329823342 807625162 /nfs/dbraw/zinc/62/51/62/807625162.db2.gz KNAIAHNMEXJPRR-RKDXNWHRSA-N -1 0 321.337 -0.229 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1cnc(C)s1 ZINC001329827939 807625710 /nfs/dbraw/zinc/62/57/10/807625710.db2.gz SLWWNNJEXCLYCH-UHFFFAOYSA-N -1 0 314.367 -0.706 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCN(C(=O)OCC)C1 ZINC001329847472 807630664 /nfs/dbraw/zinc/63/06/64/807630664.db2.gz DEQKJAOXQGDJLD-JTQLQIEISA-N -1 0 317.342 -0.582 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001329858387 807632066 /nfs/dbraw/zinc/63/20/66/807632066.db2.gz RGSKUEDEQHSEPX-UTUOFQBUSA-N -1 0 308.338 -0.500 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001329858386 807632223 /nfs/dbraw/zinc/63/22/23/807632223.db2.gz RGSKUEDEQHSEPX-IJLUTSLNSA-N -1 0 308.338 -0.500 20 0 DBADRM CN1CCC[C@@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)C1=O ZINC001329938570 807644248 /nfs/dbraw/zinc/64/42/48/807644248.db2.gz KIWSZLWNWNDQBV-SSDOTTSWSA-N -1 0 311.260 -0.276 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001329946686 807645486 /nfs/dbraw/zinc/64/54/86/807645486.db2.gz XOSPAQWEJKAJRO-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])c(=O)n1C ZINC001329950599 807647307 /nfs/dbraw/zinc/64/73/07/807647307.db2.gz OGGHYEVNAPLZOJ-QMMMGPOBSA-N -1 0 309.322 -0.853 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000923153093 807651483 /nfs/dbraw/zinc/65/14/83/807651483.db2.gz OCIQXEBXGZHMED-BBBLOLIVSA-N -1 0 304.368 -0.268 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@H](O)Cc1ccccc1 ZINC000923247571 807654530 /nfs/dbraw/zinc/65/45/30/807654530.db2.gz ICAGARGFVLEQSM-CHWSQXEVSA-N -1 0 313.375 -0.226 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC001330008574 807658843 /nfs/dbraw/zinc/65/88/43/807658843.db2.gz MYTSUKPZYWBJNX-UHFFFAOYSA-N -1 0 321.333 -0.175 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCc2ccnn2C)CC[C@@H]1C(=O)[O-] ZINC001330009336 807658968 /nfs/dbraw/zinc/65/89/68/807658968.db2.gz RFLLWCVXYXWRRY-JQWIXIFHSA-N -1 0 322.365 -0.352 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001330026789 807662618 /nfs/dbraw/zinc/66/26/18/807662618.db2.gz NJRARBKQWPOOAV-JTQLQIEISA-N -1 0 315.326 -0.830 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@H]1c2ccccc2C(=O)N1C ZINC000923443749 807669945 /nfs/dbraw/zinc/66/99/45/807669945.db2.gz WXLPIWNDHGSOCR-NSHDSACASA-N -1 0 306.322 -0.210 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1c(Br)cnn1C ZINC000923609910 807686770 /nfs/dbraw/zinc/68/67/70/807686770.db2.gz KHGHAUBDSJHSPS-UHFFFAOYSA-N -1 0 320.147 -0.341 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCCOCC2)C[C@H]1C1CC1 ZINC000923732870 807707732 /nfs/dbraw/zinc/70/77/32/807707732.db2.gz YYTJLIJVXXTJHP-NWDGAFQWSA-N -1 0 318.395 -0.004 20 0 DBADRM COCC1(NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1 ZINC001330505374 807724294 /nfs/dbraw/zinc/72/42/94/807724294.db2.gz KHDBSKYUYSAHEN-UHFFFAOYSA-N -1 0 324.337 -0.064 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NC2(CO)CCC2)n1 ZINC001330504468 807724383 /nfs/dbraw/zinc/72/43/83/807724383.db2.gz DUVJZLRVLWLZBM-UHFFFAOYSA-N -1 0 324.337 -0.328 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NC[C@H]1CC[C@@H](O)C1 ZINC001330506592 807725022 /nfs/dbraw/zinc/72/50/22/807725022.db2.gz PWDOYPONOCUFCN-DTWKUNHWSA-N -1 0 307.306 -0.005 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCCCOCCO ZINC001330506134 807725128 /nfs/dbraw/zinc/72/51/28/807725128.db2.gz LYMOPLQWPMDGAT-UHFFFAOYSA-N -1 0 311.294 -0.767 20 0 DBADRM CCn1cnc2c1CCN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)C2 ZINC000926275326 807756151 /nfs/dbraw/zinc/75/61/51/807756151.db2.gz AQVHRROJYCEUSQ-SNVBAGLBSA-N -1 0 320.349 -0.279 20 0 DBADRM COC[C@H]1COCCN1C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000926276741 807756954 /nfs/dbraw/zinc/75/69/54/807756954.db2.gz LFLZYJXSTYKSDM-UWVGGRQHSA-N -1 0 302.327 -0.961 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CO)C2)C[C@H]1C1CC1 ZINC000926327455 807759309 /nfs/dbraw/zinc/75/93/09/807759309.db2.gz WUQXJBXMQVBXQF-ADEWGFFLSA-N -1 0 310.350 -0.604 20 0 DBADRM CN(C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[C@@H]1CCOC1 ZINC000926330718 807760629 /nfs/dbraw/zinc/76/06/29/807760629.db2.gz CALNHDDBJIMULV-GRYCIOLGSA-N -1 0 310.350 -0.197 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CCO)C2)C[C@H]1C1CC1 ZINC000926338489 807761259 /nfs/dbraw/zinc/76/12/59/807761259.db2.gz FBGZDKKYUULENA-WCFLWFBJSA-N -1 0 324.377 -0.214 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC000926339312 807761321 /nfs/dbraw/zinc/76/13/21/807761321.db2.gz LYFCOLHPQBSING-FOUMNBMASA-N -1 0 324.377 -0.215 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CCO)C2)C[C@H]1C1CC1 ZINC000926338488 807761762 /nfs/dbraw/zinc/76/17/62/807761762.db2.gz FBGZDKKYUULENA-KGYLQXTDSA-N -1 0 324.377 -0.214 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926342924 807762731 /nfs/dbraw/zinc/76/27/31/807762731.db2.gz UYIYCGZEVWXHGE-ADEWGFFLSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926342936 807762916 /nfs/dbraw/zinc/76/29/16/807762916.db2.gz UYIYCGZEVWXHGE-ZMLRMANQSA-N -1 0 312.366 -0.215 20 0 DBADRM CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001331046362 807765676 /nfs/dbraw/zinc/76/56/76/807765676.db2.gz LOEVLQMMKBTNDY-GRYCIOLGSA-N -1 0 311.382 -0.044 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)CO ZINC001331055385 807766927 /nfs/dbraw/zinc/76/69/27/807766927.db2.gz HSIXLPANSPOZLB-WDEREUQCSA-N -1 0 315.370 -0.820 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCSC2)CCO1 ZINC001331052066 807766945 /nfs/dbraw/zinc/76/69/45/807766945.db2.gz SWYOSSALAGNXKX-ZJUUUORDSA-N -1 0 316.379 -0.442 20 0 DBADRM CCOCCn1cc(C(=O)[N-]S(=O)(=O)CCOC)cn1 ZINC001331067968 807767745 /nfs/dbraw/zinc/76/77/45/807767745.db2.gz QRRYRFTXSJEXAY-UHFFFAOYSA-N -1 0 305.356 -0.374 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C[C@H]1CO ZINC000926399724 807768308 /nfs/dbraw/zinc/76/83/08/807768308.db2.gz VUULZAVXMNEAFX-LPTSXCQYSA-N -1 0 324.377 -0.358 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(C(=O)O[C@@H]3CCOC3)C2)C1 ZINC000926469798 807772834 /nfs/dbraw/zinc/77/28/34/807772834.db2.gz CGTBDYNOBAXDLK-GMTAPVOTSA-N -1 0 312.322 -0.081 20 0 DBADRM CCN(CC)C(=O)C1CCN(C(=O)NCC(=O)[N-]OC)CC1 ZINC000927206958 807783568 /nfs/dbraw/zinc/78/35/68/807783568.db2.gz IYFVVBZTZMGOGK-UHFFFAOYSA-N -1 0 314.386 -0.046 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCCOCC1CCOCC1 ZINC000927210610 807783577 /nfs/dbraw/zinc/78/35/77/807783577.db2.gz FOFCYAHOSMMZOC-UHFFFAOYSA-N -1 0 303.359 -0.204 20 0 DBADRM CCCNC(=O)C1CCN(C(=O)NCC(=O)[N-]OC)CC1 ZINC000927204192 807783757 /nfs/dbraw/zinc/78/37/57/807783757.db2.gz IQFPMXOHLAMAQN-UHFFFAOYSA-N -1 0 300.359 -0.388 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(Cc2cccnc2)CC1 ZINC000927204029 807783987 /nfs/dbraw/zinc/78/39/87/807783987.db2.gz GTALFAFYQBGHSE-UHFFFAOYSA-N -1 0 307.354 -0.414 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000927208380 807783992 /nfs/dbraw/zinc/78/39/92/807783992.db2.gz OMGYORZAIBBVNM-LBPRGKRZSA-N -1 0 306.322 -0.453 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(c2nccnc2C)CC1 ZINC000927213296 807784422 /nfs/dbraw/zinc/78/44/22/807784422.db2.gz AEXUZWOQWKQHQS-UHFFFAOYSA-N -1 0 308.342 -0.706 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCc2nnc(N(C)C)cc2C1 ZINC000927213075 807784504 /nfs/dbraw/zinc/78/45/04/807784504.db2.gz ZYOBWCICPOABNJ-UHFFFAOYSA-N -1 0 308.342 -0.712 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000927213312 807784960 /nfs/dbraw/zinc/78/49/60/807784960.db2.gz ATMUVABQCFFLLC-MFKMUULPSA-N -1 0 301.343 -0.357 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000927213079 807784964 /nfs/dbraw/zinc/78/49/64/807784964.db2.gz ZPIJHKSKTJHYGI-QMMMGPOBSA-N -1 0 300.340 -0.096 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1ccc(=O)[nH]n1 ZINC001038034917 815151788 /nfs/dbraw/zinc/15/17/88/815151788.db2.gz CWGGPEVALWWOIP-SSDOTTSWSA-N -1 0 305.298 -0.990 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000927215928 807785814 /nfs/dbraw/zinc/78/58/14/807785814.db2.gz SATYFZAPHJEDKP-JGVFFNPUSA-N -1 0 313.276 -0.134 20 0 DBADRM CO[N-]C(=O)CNC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000927215513 807785839 /nfs/dbraw/zinc/78/58/39/807785839.db2.gz YWGOSVOOGTXPGA-PHIMTYICSA-N -1 0 302.375 -0.585 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000927214585 807785947 /nfs/dbraw/zinc/78/59/47/807785947.db2.gz OWXKNGWCFCZCOB-OPQQBVKSSA-N -1 0 301.343 -0.358 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000927216093 807786049 /nfs/dbraw/zinc/78/60/49/807786049.db2.gz NMPBVYJRLKCQPZ-LLVKDONJSA-N -1 0 312.370 -0.390 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000927217257 807786486 /nfs/dbraw/zinc/78/64/86/807786486.db2.gz ZOMBRTYMWSPGMY-YUMQZZPRSA-N -1 0 301.265 -0.089 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000927218341 807786907 /nfs/dbraw/zinc/78/69/07/807786907.db2.gz YDOCHXNYAKPVRA-UHFFFAOYSA-N -1 0 324.312 -0.139 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000927217056 807787201 /nfs/dbraw/zinc/78/72/01/807787201.db2.gz JCLDCJNLBCKUAR-OAHLLOKOSA-N -1 0 318.333 -0.031 20 0 DBADRM CCN1CCN(C(=O)NCC(=O)[N-]OC)C[C@@H]1c1nccn1C ZINC000927217966 807787204 /nfs/dbraw/zinc/78/72/04/807787204.db2.gz SRMFNMNMVLOYDJ-LLVKDONJSA-N -1 0 324.385 -0.514 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000927217046 807787238 /nfs/dbraw/zinc/78/72/38/807787238.db2.gz IZPMWAIMSINIPH-JTQLQIEISA-N -1 0 300.359 -0.438 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)c1cn(C)c2c(cnn2C)c1=O ZINC001331394582 807792124 /nfs/dbraw/zinc/79/21/24/807792124.db2.gz XACPVCGQFFITBD-LLVKDONJSA-N -1 0 308.338 -0.050 20 0 DBADRM CCOC(=O)COCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001331393635 807792211 /nfs/dbraw/zinc/79/22/11/807792211.db2.gz PMXVDSVGNHBSEJ-UHFFFAOYSA-N -1 0 308.294 -0.668 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[C@@H]1CCSC1 ZINC001331456818 807793090 /nfs/dbraw/zinc/79/30/90/807793090.db2.gz AJDRALZJRKDTLF-SECBINFHSA-N -1 0 303.384 -0.570 20 0 DBADRM CS(=O)(=O)CCCCS(=O)(=O)[N-]C(=O)[C@H]1CC1(F)F ZINC001331522733 807795496 /nfs/dbraw/zinc/79/54/96/807795496.db2.gz XQWKLPVXMALFHF-SSDOTTSWSA-N -1 0 319.351 -0.088 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)C(C)C ZINC000927966079 807800611 /nfs/dbraw/zinc/80/06/11/807800611.db2.gz OCNJLDMWLMJNJI-QWRGUYRKSA-N -1 0 300.355 -0.046 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)C(C)C ZINC000927966078 807800807 /nfs/dbraw/zinc/80/08/07/807800807.db2.gz OCNJLDMWLMJNJI-MNOVXSKESA-N -1 0 300.355 -0.046 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N(CCOC)CC(F)F)C(=O)[O-] ZINC000927958887 807800925 /nfs/dbraw/zinc/80/09/25/807800925.db2.gz FOSWPGCFECVVDZ-MRVPVSSYSA-N -1 0 310.297 -0.047 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)N[C@H](COC)[C@H]1CCCO1 ZINC000929050021 807823010 /nfs/dbraw/zinc/82/30/10/807823010.db2.gz OGFJPAOUFBXLHN-GHMZBOCLSA-N -1 0 304.343 -0.077 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCc3[nH]cnc3C2)c1 ZINC000929079251 807823701 /nfs/dbraw/zinc/82/37/01/807823701.db2.gz HPEGTBMWSKVXNI-UHFFFAOYSA-N -1 0 322.346 -0.039 20 0 DBADRM COCCOCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001331818023 807837641 /nfs/dbraw/zinc/83/76/41/807837641.db2.gz GUZDCPNVTWMJID-AWEZNQCLSA-N -1 0 316.354 -0.963 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001331828774 807839894 /nfs/dbraw/zinc/83/98/94/807839894.db2.gz ZKUHNGBLXYNFCM-CABZTGNLSA-N -1 0 309.322 -0.174 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CCOCCO)CC[C@@H]1C(=O)[O-] ZINC001331845962 807842571 /nfs/dbraw/zinc/84/25/71/807842571.db2.gz AVDHHJOFDBBMGU-MNOVXSKESA-N -1 0 316.354 -0.977 20 0 DBADRM CON(C)C(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001331930030 807852512 /nfs/dbraw/zinc/85/25/12/807852512.db2.gz TZJIVEPWPUUTIS-SNVBAGLBSA-N -1 0 311.260 -0.324 20 0 DBADRM O=C([O-])COCC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC001332114403 807873470 /nfs/dbraw/zinc/87/34/70/807873470.db2.gz QALKBWYENPAGDZ-JTQLQIEISA-N -1 0 321.289 -0.523 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CO[C@@H](C3CC3)C2)C1 ZINC001332169416 807880819 /nfs/dbraw/zinc/88/08/19/807880819.db2.gz WBOZLGUMRQPHPU-QJPTWQEYSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC001332183661 807881299 /nfs/dbraw/zinc/88/12/99/807881299.db2.gz WCYXHXBCZHLPAA-USZNOCQGSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001332196937 807883074 /nfs/dbraw/zinc/88/30/74/807883074.db2.gz CUUZAUFKMURXDO-ZIQFBCGOSA-N -1 0 310.350 -0.293 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2CC(=O)N(C)C2CC2)c1[O-] ZINC001038160902 815159926 /nfs/dbraw/zinc/15/99/26/815159926.db2.gz JQSRWXUCEMXBPK-LLVKDONJSA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2Cc2cnnn2C)c1[O-] ZINC001038166123 815160401 /nfs/dbraw/zinc/16/04/01/815160401.db2.gz WGDUPHJTURPMNL-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2[C@H](C)C(=O)N(C)C)c1[O-] ZINC001038164225 815160589 /nfs/dbraw/zinc/16/05/89/815160589.db2.gz GDUOPUBSSJOZDE-NXEZZACHSA-N -1 0 309.370 -0.295 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1ccccc1Cl ZINC001332595199 807945380 /nfs/dbraw/zinc/94/53/80/807945380.db2.gz IBOBIGQWEUDHME-UHFFFAOYSA-N -1 0 313.741 -0.208 20 0 DBADRM CN(CC(=O)[N-]OCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 ZINC001332612991 807950189 /nfs/dbraw/zinc/95/01/89/807950189.db2.gz AFQCCOTXZQEOPZ-GFCCVEGCSA-N -1 0 313.379 -0.252 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@]1(OC(C)C)CCOC1 ZINC000931988764 807950781 /nfs/dbraw/zinc/95/07/81/807950781.db2.gz NIHUNMDSPQIFJZ-CQSZACIVSA-N -1 0 318.370 -0.229 20 0 DBADRM CCOCCOCC(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001332620207 807951832 /nfs/dbraw/zinc/95/18/32/807951832.db2.gz BGMATLJQPKWYMR-NRFANRHFSA-N -1 0 321.395 -0.136 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1ncccc1O ZINC001038194611 815163392 /nfs/dbraw/zinc/16/33/92/815163392.db2.gz POBAYJDXQDPKPX-MRVPVSSYSA-N -1 0 304.310 -0.385 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCC1CC2(C1)OCCO2 ZINC000932569094 807973289 /nfs/dbraw/zinc/97/32/89/807973289.db2.gz ACUWJKWEJODGMZ-UHFFFAOYSA-N -1 0 304.368 -0.334 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)cnn1 ZINC001038202567 815164362 /nfs/dbraw/zinc/16/43/62/815164362.db2.gz YUWPNJJBOXSKDA-SNVBAGLBSA-N -1 0 303.326 -0.387 20 0 DBADRM CCC[C@@]1(CO)CCCN1C(=O)C(=O)NCC(=O)[N-]OCC ZINC001332840412 807986632 /nfs/dbraw/zinc/98/66/32/807986632.db2.gz AYGIFAYGKXVISD-AWEZNQCLSA-N -1 0 315.370 -0.676 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(C)(COC)CC1 ZINC001332844720 807986642 /nfs/dbraw/zinc/98/66/42/807986642.db2.gz YHYPBJYUIOOUPQ-UHFFFAOYSA-N -1 0 315.370 -0.555 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C[C@H]1CCOC1)C1CC1 ZINC001332841800 807986704 /nfs/dbraw/zinc/98/67/04/807986704.db2.gz HIFJKRYQHUTYET-SNVBAGLBSA-N -1 0 313.354 -0.802 20 0 DBADRM CC(=O)N(C)C1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC001332946570 807999702 /nfs/dbraw/zinc/99/97/02/807999702.db2.gz WQUSZCHOWXUHSR-SECBINFHSA-N -1 0 313.354 -0.707 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1cc(F)cc(F)c1 ZINC001333118525 808017168 /nfs/dbraw/zinc/01/71/68/808017168.db2.gz LWHSZPYDXXWSEX-UHFFFAOYSA-N -1 0 315.276 -0.583 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1c(C)cccc1C ZINC001333174186 808024844 /nfs/dbraw/zinc/02/48/44/808024844.db2.gz HDBJDOFNWQXXBU-UHFFFAOYSA-N -1 0 307.350 -0.244 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCc2c1cccc2F ZINC001333226301 808032275 /nfs/dbraw/zinc/03/22/75/808032275.db2.gz XUOKEYSUGXEFRQ-NSHDSACASA-N -1 0 309.297 -0.277 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](OC(C)C)C1 ZINC001333294463 808040166 /nfs/dbraw/zinc/04/01/66/808040166.db2.gz AFWSHSMPQWFFSZ-JTQLQIEISA-N -1 0 301.343 -0.804 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)CCOCc1ccccc1 ZINC001333295283 808040487 /nfs/dbraw/zinc/04/04/87/808040487.db2.gz HMCCYPJVFRYRHZ-UHFFFAOYSA-N -1 0 323.349 -0.545 20 0 DBADRM CCS[C@H]1CCCCN(C(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001333299705 808041483 /nfs/dbraw/zinc/04/14/83/808041483.db2.gz ZWXQUNYMRCIYHB-JTQLQIEISA-N -1 0 317.411 -0.086 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC001333313249 808043655 /nfs/dbraw/zinc/04/36/55/808043655.db2.gz LKNQLRVMDWSOHG-RVMXOQNASA-N -1 0 310.350 -0.222 20 0 DBADRM O=C([N-]OCc1ccccc1)C(=O)NCC[C@@H]1CNC(=O)C1 ZINC001333326593 808044698 /nfs/dbraw/zinc/04/46/98/808044698.db2.gz GNGAIOZSAIDADZ-LBPRGKRZSA-N -1 0 305.334 -0.123 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCN(CC(F)F)CC1 ZINC001333333129 808044970 /nfs/dbraw/zinc/04/49/70/808044970.db2.gz JGIGPJZCIQQRNK-DTORHVGOSA-N -1 0 319.308 -0.625 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC001333333839 808045408 /nfs/dbraw/zinc/04/54/08/808045408.db2.gz GCHVCPJOSYWOMW-JVXZTZIISA-N -1 0 323.296 -0.949 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC(C)(C)OC(C)(C)C1 ZINC001333333916 808045649 /nfs/dbraw/zinc/04/56/49/808045649.db2.gz HDIBFMYFGCJJJZ-UHFFFAOYSA-N -1 0 301.343 -0.804 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCOC[C@H]1c1ccccc1 ZINC001333337700 808046051 /nfs/dbraw/zinc/04/60/51/808046051.db2.gz ZPPRYDLYTYBMJR-LBPRGKRZSA-N -1 0 321.333 -0.620 20 0 DBADRM CCOCCO[N-]C(=O)CN1CCC[C@@H](C(=O)OC)C1=O ZINC000935454804 808046639 /nfs/dbraw/zinc/04/66/39/808046639.db2.gz OGIMOLAHMATZTG-SNVBAGLBSA-N -1 0 302.327 -0.518 20 0 DBADRM COC(=O)c1cccn(CC(=O)[N-]OC[C@H]2CCOC2)c1=O ZINC000935594436 808051124 /nfs/dbraw/zinc/05/11/24/808051124.db2.gz QSLMHELVCIFMCM-JTQLQIEISA-N -1 0 310.306 -0.281 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@H](C)Cc1cccs1 ZINC001333407789 808055582 /nfs/dbraw/zinc/05/55/82/808055582.db2.gz LHOOBUJCICUABK-SECBINFHSA-N -1 0 313.379 -0.163 20 0 DBADRM COCCCO[N-]C(=O)CN1CCC[C@H](C(=O)OC)C1=O ZINC000935966450 808061799 /nfs/dbraw/zinc/06/17/99/808061799.db2.gz QKTYMJUOKHRMEY-JTQLQIEISA-N -1 0 302.327 -0.518 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001333516849 808070743 /nfs/dbraw/zinc/07/07/43/808070743.db2.gz YYKZAEUTRVHZMC-MWAODPMSSA-N -1 0 313.335 -0.399 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001333516854 808070935 /nfs/dbraw/zinc/07/09/35/808070935.db2.gz YYKZAEUTRVHZMC-WODJRTHDSA-N -1 0 313.335 -0.399 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N[C@H]1CCCNC1=O ZINC001333516713 808071112 /nfs/dbraw/zinc/07/11/12/808071112.db2.gz QKRHKKDBUNHWHU-QMMMGPOBSA-N -1 0 306.278 -0.887 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c2ncnn21 ZINC001333531593 808072213 /nfs/dbraw/zinc/07/22/13/808072213.db2.gz BSZLMTWAWKETBP-UTINFBMNSA-N -1 0 321.337 -0.230 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCSC[C@H]1C ZINC001333599345 808079213 /nfs/dbraw/zinc/07/92/13/808079213.db2.gz PJAGMAFOUDKOFE-SECBINFHSA-N -1 0 303.384 -0.476 20 0 DBADRM CCn1nccc1C(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000938238343 808087789 /nfs/dbraw/zinc/08/77/89/808087789.db2.gz XAJWGVIKNXQXSH-VIFPVBQESA-N -1 0 303.326 -0.334 20 0 DBADRM COC1(OC)CCOC[C@H]1NCc1cc(=O)n2[n-]ccc2n1 ZINC001333697108 808089544 /nfs/dbraw/zinc/08/95/44/808089544.db2.gz AWZNZQJMXZLBSP-LLVKDONJSA-N -1 0 308.338 -0.110 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2cc(C)ccc2C1 ZINC001333775790 808096197 /nfs/dbraw/zinc/09/61/97/808096197.db2.gz SVGBVMQYWARMDR-UHFFFAOYSA-N -1 0 305.334 -0.326 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCSC(C)(C)CC1 ZINC001333775651 808096410 /nfs/dbraw/zinc/09/64/10/808096410.db2.gz RDEPRKNPUWJRRD-UHFFFAOYSA-N -1 0 303.384 -0.476 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC(OC(C)C)CC1 ZINC001333775871 808096506 /nfs/dbraw/zinc/09/65/06/808096506.db2.gz VLHCOOIJXDCJHL-UHFFFAOYSA-N -1 0 301.343 -0.804 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC001334015289 808126169 /nfs/dbraw/zinc/12/61/69/808126169.db2.gz DZAOFUULRPXNRW-LURJTMIESA-N -1 0 308.216 -0.261 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC001334163843 808137634 /nfs/dbraw/zinc/13/76/34/808137634.db2.gz HKGYIMDFSXUVLH-UHFFFAOYSA-N -1 0 321.381 -0.174 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC001334243660 808145853 /nfs/dbraw/zinc/14/58/53/808145853.db2.gz JPNPXVGXQKETQK-NXEZZACHSA-N -1 0 301.343 -0.756 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cc2n(n1)CCO2 ZINC001038348667 815179467 /nfs/dbraw/zinc/17/94/67/815179467.db2.gz FGMUSLKXWWINCP-MRVPVSSYSA-N -1 0 319.325 -0.897 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(C)c(C(N)=O)cn2)C1=O ZINC001334390921 808160073 /nfs/dbraw/zinc/16/00/73/808160073.db2.gz ZQMIDTZTFUZIAX-CQSZACIVSA-N -1 0 319.321 -0.146 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)Cn2cccn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947057365 808168741 /nfs/dbraw/zinc/16/87/41/808168741.db2.gz QZSWGQJKQCBUQU-QWRGUYRKSA-N -1 0 319.369 -0.124 20 0 DBADRM C[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000947077644 808170505 /nfs/dbraw/zinc/17/05/05/808170505.db2.gz NDJGVBPHYBTDRP-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC001334508060 808174092 /nfs/dbraw/zinc/17/40/92/808174092.db2.gz AWMSNOAHTNBSKH-GFCCVEGCSA-N -1 0 305.334 -0.074 20 0 DBADRM C[C@H]1C[C@H](NC(=O)Cn2nccn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947351716 808186175 /nfs/dbraw/zinc/18/61/75/808186175.db2.gz FENQCFFMMAUFRE-VHSXEESVSA-N -1 0 320.357 -0.729 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001038368591 815182477 /nfs/dbraw/zinc/18/24/77/815182477.db2.gz SFMCMYXUKHXVSU-OPRDCNLKSA-N -1 0 317.353 -0.272 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000947577487 808205224 /nfs/dbraw/zinc/20/52/24/808205224.db2.gz OBUKRZHYBDRJPL-CBAPKCEASA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947633186 808209282 /nfs/dbraw/zinc/20/92/82/808209282.db2.gz IVBTXCFFDLRKIK-YFVNTRNASA-N -1 0 321.381 -0.128 20 0 DBADRM CC(C)C(=O)NC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000947659429 808212028 /nfs/dbraw/zinc/21/20/28/808212028.db2.gz OMRBGBBYJZITJE-UHFFFAOYSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCN(C(=O)c3nc[nH]n3)CC2)c1[O-] ZINC000947809641 808225454 /nfs/dbraw/zinc/22/54/54/808225454.db2.gz GGNDABHLZNKYKB-UHFFFAOYSA-N -1 0 319.325 -0.424 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)CCC1CCOCC1 ZINC001335145346 808244054 /nfs/dbraw/zinc/24/40/54/808244054.db2.gz TXCGGKOPHBHQFT-UHFFFAOYSA-N -1 0 301.343 -0.945 20 0 DBADRM CN(C)S(=O)(=O)[N-]C(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC001335173570 808247591 /nfs/dbraw/zinc/24/75/91/808247591.db2.gz STLPNMIUQZOETI-XQRVVYSFSA-N -1 0 322.364 -0.381 20 0 DBADRM C/C=C(/C)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000948258291 808273443 /nfs/dbraw/zinc/27/34/43/808273443.db2.gz PNNMYEVPMXWLBJ-QPGUZKIZSA-N -1 0 323.353 -0.381 20 0 DBADRM Cc1ccnc2nc(C(=O)N3CCC[C@@H](c4nnn[n-]4)C3)nn21 ZINC001335572447 808298523 /nfs/dbraw/zinc/29/85/23/808298523.db2.gz HZWHYBVCKUFRQE-SECBINFHSA-N -1 0 313.325 -0.034 20 0 DBADRM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1nc(=O)o[n-]1 ZINC001335621031 808303898 /nfs/dbraw/zinc/30/38/98/808303898.db2.gz NODRMPRNOIWOAK-YUMQZZPRSA-N -1 0 308.294 -0.846 20 0 DBADRM O=C(CCc1c[nH]cn1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948676406 808314297 /nfs/dbraw/zinc/31/42/97/808314297.db2.gz QPFHCGUJSDVNGG-UHFFFAOYSA-N -1 0 305.342 -0.490 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCO[C@](C)(C2CC2)C1 ZINC001335900516 808329532 /nfs/dbraw/zinc/32/95/32/808329532.db2.gz LZZCZLCWUKHJTC-ZDUSSCGKSA-N -1 0 310.358 -0.254 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)C2=COCCO2)c1[O-] ZINC000948830156 808337344 /nfs/dbraw/zinc/33/73/44/808337344.db2.gz ANJRCWCCPVDJAN-SECBINFHSA-N -1 0 322.321 -0.357 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1c2ccccc2CN1C ZINC001336150501 808347968 /nfs/dbraw/zinc/34/79/68/808347968.db2.gz CNEJSJNYFVLJDJ-GFCCVEGCSA-N -1 0 320.349 -0.917 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1cccnc1)c1n[nH]c(=O)[n-]c1=O ZINC001038464947 815197698 /nfs/dbraw/zinc/19/76/98/815197698.db2.gz ITKBHIJLBULLDW-JTQLQIEISA-N -1 0 316.321 -0.318 20 0 DBADRM Cn1cncc1CN1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001038467291 815197848 /nfs/dbraw/zinc/19/78/48/815197848.db2.gz YVRSXROWADXNFK-MRVPVSSYSA-N -1 0 319.325 -0.979 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC001336281194 808358105 /nfs/dbraw/zinc/35/81/05/808358105.db2.gz YRVJNTXOPAAQGY-LOWVWBTDSA-N -1 0 310.350 -0.080 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1c1cccn1C ZINC001336303215 808361451 /nfs/dbraw/zinc/36/14/51/808361451.db2.gz ZDWKUXCZQBGWBG-LLVKDONJSA-N -1 0 308.338 -0.518 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CCOC2)c1[O-] ZINC000949027911 808377562 /nfs/dbraw/zinc/37/75/62/808377562.db2.gz PQTFDMZHNXTCML-VHSXEESVSA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CCOC2)c1[O-] ZINC000949027910 808377713 /nfs/dbraw/zinc/37/77/13/808377713.db2.gz PQTFDMZHNXTCML-UWVGGRQHSA-N -1 0 308.338 -0.209 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1CCN(CCCF)CC1 ZINC000949070038 808388282 /nfs/dbraw/zinc/38/82/82/808388282.db2.gz ZQQJRGWVGLTGOO-UHFFFAOYSA-N -1 0 313.333 -0.281 20 0 DBADRM Cn1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)ccc1=O ZINC000949076118 808389929 /nfs/dbraw/zinc/38/99/29/808389929.db2.gz DTZLYXHUIYJHJI-UHFFFAOYSA-N -1 0 318.337 -0.833 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(Cc2cnsn2)CC1 ZINC000949111328 808395478 /nfs/dbraw/zinc/39/54/78/808395478.db2.gz OVEBICLHCVYHOT-UHFFFAOYSA-N -1 0 323.338 -0.908 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(Cc2csnn2)CC1 ZINC000949111096 808395940 /nfs/dbraw/zinc/39/59/40/808395940.db2.gz FNOSFGLXIYOJCL-UHFFFAOYSA-N -1 0 323.338 -0.908 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC001336619586 808400822 /nfs/dbraw/zinc/40/08/22/808400822.db2.gz CDAZBNIWJPJPTE-MFDAYCCISA-N -1 0 300.380 -0.063 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)o1 ZINC000949208943 808419668 /nfs/dbraw/zinc/41/96/68/808419668.db2.gz KCYFAJURKVOIND-UHFFFAOYSA-N -1 0 320.309 -0.840 20 0 DBADRM COc1cnc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)nc1 ZINC000949217225 808423152 /nfs/dbraw/zinc/42/31/52/808423152.db2.gz RIOVHWKEPLRVFT-UHFFFAOYSA-N -1 0 319.325 -0.733 20 0 DBADRM CC1CC(C(=O)NC[C@@H]2CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000949340764 808440664 /nfs/dbraw/zinc/44/06/64/808440664.db2.gz AZCVYPAGRTUOTP-RTBKNWGFSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C1=CCCC1 ZINC000949369165 808446152 /nfs/dbraw/zinc/44/61/52/808446152.db2.gz LUHIRQPTHZUERH-SECBINFHSA-N -1 0 319.321 -0.276 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2cn(C)cn2)c1[O-] ZINC000949424662 808458790 /nfs/dbraw/zinc/45/87/90/808458790.db2.gz CGDCNBWFELPHSV-SECBINFHSA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)Cc2cnc[nH]2)c1[O-] ZINC000949430217 808459774 /nfs/dbraw/zinc/45/97/74/808459774.db2.gz JTNNCLQTBUSTHM-JTQLQIEISA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2ncn(C)n2)c1[O-] ZINC000949427478 808460182 /nfs/dbraw/zinc/46/01/82/808460182.db2.gz YXCSLTCZHFSYNX-QMMMGPOBSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2n[nH]nc2C)c1[O-] ZINC000949434674 808460991 /nfs/dbraw/zinc/46/09/91/808460991.db2.gz KFZIOKBCUPKLEB-MRVPVSSYSA-N -1 0 319.325 -0.505 20 0 DBADRM C[C@H]1OCC[C@@]1(C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949448509 808463915 /nfs/dbraw/zinc/46/39/15/808463915.db2.gz WLETZGOVDOMXCC-QMTHXVAHSA-N -1 0 309.370 -0.030 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000949456113 808465018 /nfs/dbraw/zinc/46/50/18/808465018.db2.gz IMNBBMGKSRJPRZ-SFYZADRCSA-N -1 0 321.337 -0.340 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000949456112 808465142 /nfs/dbraw/zinc/46/51/42/808465142.db2.gz IMNBBMGKSRJPRZ-JGVFFNPUSA-N -1 0 321.337 -0.340 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001337643673 808481698 /nfs/dbraw/zinc/48/16/98/808481698.db2.gz AVQXLLJFEZHMGM-SNVBAGLBSA-N -1 0 302.285 -0.024 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCCO[C@H](C(C)C)C1 ZINC001337645294 808481897 /nfs/dbraw/zinc/48/18/97/808481897.db2.gz IYNUGXZPMDBHHO-NSHDSACASA-N -1 0 312.374 -0.008 20 0 DBADRM COC[C@H](C)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000949610157 808494967 /nfs/dbraw/zinc/49/49/67/808494967.db2.gz XHMSDFKOHLSFJA-JTQLQIEISA-N -1 0 310.354 -0.721 20 0 DBADRM O=C(N[C@H]1CCCN(C(=O)C2CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000949625722 808500391 /nfs/dbraw/zinc/50/03/91/808500391.db2.gz SVNYPQAIEKPGTN-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM CCN(C(=O)c1cnn(C)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949641448 808502019 /nfs/dbraw/zinc/50/20/19/808502019.db2.gz CHTWVGJXXWJTDW-UHFFFAOYSA-N -1 0 305.342 -0.410 20 0 DBADRM COCCCOCCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1C ZINC001338236548 808526946 /nfs/dbraw/zinc/52/69/46/808526946.db2.gz KRBUDVMGLMYUDE-UHFFFAOYSA-N -1 0 310.358 -0.472 20 0 DBADRM CCCC(=O)N1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000949743283 808529103 /nfs/dbraw/zinc/52/91/03/808529103.db2.gz RFEPFTGHZJQKCO-MRVPVSSYSA-N -1 0 309.326 -0.196 20 0 DBADRM COc1nn(C)cc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038597860 815214091 /nfs/dbraw/zinc/21/40/91/815214091.db2.gz RATZPWZYEJSDAY-MRVPVSSYSA-N -1 0 321.341 -0.743 20 0 DBADRM C[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000949774213 808539701 /nfs/dbraw/zinc/53/97/01/808539701.db2.gz GCOJINNSTYUNJH-RKDXNWHRSA-N -1 0 323.353 -0.548 20 0 DBADRM COCCO[C@@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001338554230 808553621 /nfs/dbraw/zinc/55/36/21/808553621.db2.gz DUMIGQWRWNCRFC-MRVPVSSYSA-N -1 0 302.356 -0.134 20 0 DBADRM CC(C)=CC(=O)N1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000949872842 808557502 /nfs/dbraw/zinc/55/75/02/808557502.db2.gz BOWRXHGGTKSOFR-JTQLQIEISA-N -1 0 323.353 -0.237 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(Cc2nnnn2C)C1 ZINC000949899868 808561478 /nfs/dbraw/zinc/56/14/78/808561478.db2.gz FQYMKWKHRBNALQ-UHFFFAOYSA-N -1 0 320.357 -0.706 20 0 DBADRM CC[C@@H](C(N)=O)N1CC(N(CC)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000949900170 808561687 /nfs/dbraw/zinc/56/16/87/808561687.db2.gz KSTPZAJQZPVYDJ-JTQLQIEISA-N -1 0 309.370 -0.166 20 0 DBADRM CC[C@H](C(N)=O)N1CC(N(CC)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000949900471 808561860 /nfs/dbraw/zinc/56/18/60/808561860.db2.gz KSTPZAJQZPVYDJ-SNVBAGLBSA-N -1 0 309.370 -0.166 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)[N-]O[C@@H]2CCCCO2)n1 ZINC001338723400 808564355 /nfs/dbraw/zinc/56/43/55/808564355.db2.gz HBORQCSGDWTVEO-SNVBAGLBSA-N -1 0 308.294 -0.307 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC001338722581 808564692 /nfs/dbraw/zinc/56/46/92/808564692.db2.gz BTBZTZKNXGIDCF-UHFFFAOYSA-N -1 0 304.100 -0.236 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC001338724871 808565621 /nfs/dbraw/zinc/56/56/21/808565621.db2.gz VZANAGAVXNLLTE-UHFFFAOYSA-N -1 0 306.278 -0.646 20 0 DBADRM O=C(c1cnn2cccnc12)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001338838844 808568710 /nfs/dbraw/zinc/56/87/10/808568710.db2.gz ATSPUGOQOURFPX-SECBINFHSA-N -1 0 300.282 -0.544 20 0 DBADRM CCN(C(=O)c1cc(=O)n(C)o1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949971046 808571890 /nfs/dbraw/zinc/57/18/90/808571890.db2.gz YEXGENSMGRYFSI-UHFFFAOYSA-N -1 0 322.325 -0.852 20 0 DBADRM O=C([N-]OCc1ccccc1)C(=O)NCCN1CCNC1=O ZINC001338970527 808574525 /nfs/dbraw/zinc/57/45/25/808574525.db2.gz XOJILGPNJSHSHJ-UHFFFAOYSA-N -1 0 306.322 -0.624 20 0 DBADRM O=C(CCn1cncn1)N1CCC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000950036310 808580842 /nfs/dbraw/zinc/58/08/42/808580842.db2.gz MFALWZFMRBJGQO-SNVBAGLBSA-N -1 0 318.341 -0.793 20 0 DBADRM Cc1c(C(=O)N2CCC[C@H](NC(=O)c3cn[nH]n3)C2)cnn1C ZINC000950035749 808580869 /nfs/dbraw/zinc/58/08/69/808580869.db2.gz DGXOHRKJNBBVRY-JTQLQIEISA-N -1 0 317.353 -0.119 20 0 DBADRM CC(C)(C)c1ncc(NC(=O)C(=O)NCc2nnn[n-]2)cn1 ZINC001339328341 808586840 /nfs/dbraw/zinc/58/68/40/808586840.db2.gz SPGFCAAHQXNQKY-UHFFFAOYSA-N -1 0 304.314 -0.458 20 0 DBADRM COCC[C@H](C)CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001339821983 808605320 /nfs/dbraw/zinc/60/53/20/808605320.db2.gz LRZSMTVYPHPUGM-JTQLQIEISA-N -1 0 301.343 -0.403 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccnn1C1CCCC1 ZINC001339820101 808605398 /nfs/dbraw/zinc/60/53/98/808605398.db2.gz WUDBKSXENVVMBA-UHFFFAOYSA-N -1 0 304.314 -0.234 20 0 DBADRM C[C@@H](CNC(=O)NCCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC001339890671 808609105 /nfs/dbraw/zinc/60/91/05/808609105.db2.gz AFPFIEHPLZXJSJ-QMMMGPOBSA-N -1 0 314.342 -0.273 20 0 DBADRM COCCOCCCNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001340265359 808630226 /nfs/dbraw/zinc/63/02/26/808630226.db2.gz NHFDNTIKFNYVTD-UHFFFAOYSA-N -1 0 304.343 -0.618 20 0 DBADRM CCN(C(=O)[C@H]1CC(=O)N(C)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950457332 808648807 /nfs/dbraw/zinc/64/88/07/808648807.db2.gz CAVSYSKHNJBMIF-VIFPVBQESA-N -1 0 322.369 -0.979 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCc2c1cccc2C ZINC001340954206 808664403 /nfs/dbraw/zinc/66/44/03/808664403.db2.gz GTTJSOJRGVQCCY-GFCCVEGCSA-N -1 0 305.334 -0.108 20 0 DBADRM CCN(C(=O)[C@H]1CCCC(=O)N1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950580953 808676629 /nfs/dbraw/zinc/67/66/29/808676629.db2.gz DUFRNQMMCWIRKY-SNVBAGLBSA-N -1 0 322.369 -0.788 20 0 DBADRM C[C@@]12COC[C@H]1CN(C(=O)NCCOCCOCC(=O)[O-])C2 ZINC001341329050 808679704 /nfs/dbraw/zinc/67/97/04/808679704.db2.gz PDIBHELLYDYCFE-BXUZGUMPSA-N -1 0 316.354 -0.218 20 0 DBADRM C[C@H]1COCC[C@H]1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001341366855 808681533 /nfs/dbraw/zinc/68/15/33/808681533.db2.gz CHWNDROGJGLTBR-QWRGUYRKSA-N -1 0 313.354 -0.403 20 0 DBADRM C[C@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC000950624140 808682978 /nfs/dbraw/zinc/68/29/78/808682978.db2.gz ZPFCGQWUIDIVOM-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001341431607 808684735 /nfs/dbraw/zinc/68/47/35/808684735.db2.gz HGXDZEJDCPNOQX-UKKRHICBSA-N -1 0 313.354 -0.263 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001341431606 808684827 /nfs/dbraw/zinc/68/48/27/808684827.db2.gz HGXDZEJDCPNOQX-MMWGEVLESA-N -1 0 313.354 -0.263 20 0 DBADRM CCN1CCC[C@@H](NC(=O)C(=O)[N-]OC[C@H]2CCOC2)C1=O ZINC001341926588 808705460 /nfs/dbraw/zinc/70/54/60/808705460.db2.gz CUHWTMVXEXZURF-WDEREUQCSA-N -1 0 313.354 -0.802 20 0 DBADRM CCN(Cc1ccccc1F)C(=O)C(=O)NCC(=O)[N-]OC ZINC001342031173 808712633 /nfs/dbraw/zinc/71/26/33/808712633.db2.gz YKRUCDSYAAYWFY-UHFFFAOYSA-N -1 0 311.313 -0.032 20 0 DBADRM Cc1cc(C[C@@H](C)NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)[nH]n1 ZINC001342233433 808721632 /nfs/dbraw/zinc/72/16/32/808721632.db2.gz YDDUZOHBEHSBDE-MWLCHTKSSA-N -1 0 310.354 -0.150 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2cncn2C)c1[O-] ZINC000950884188 808726738 /nfs/dbraw/zinc/72/67/38/808726738.db2.gz HDYUDUIRBXGQNW-SECBINFHSA-N -1 0 318.337 -0.198 20 0 DBADRM CCN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(CCCF)C1 ZINC000951120425 808769656 /nfs/dbraw/zinc/76/96/56/808769656.db2.gz PSQQXIVHFQTGOA-UHFFFAOYSA-N -1 0 312.345 -0.008 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2C)c1[O-] ZINC000951186151 808777689 /nfs/dbraw/zinc/77/76/89/808777689.db2.gz SRFNCCMIBAVFSC-HZGVNTEJSA-N -1 0 319.325 -0.568 20 0 DBADRM COCC(=O)N1CC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000951222075 808782225 /nfs/dbraw/zinc/78/22/25/808782225.db2.gz FDOQHIZRMXVBBU-MRVPVSSYSA-N -1 0 320.305 -0.095 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297739 808794479 /nfs/dbraw/zinc/79/44/79/808794479.db2.gz JBUSCENXJSZIFT-DKCNVOGISA-N -1 0 307.310 -0.420 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951298076 808794488 /nfs/dbraw/zinc/79/44/88/808794488.db2.gz PWWYBULHEROFFN-JGVFFNPUSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)C1CCC1)c1n[nH]c(=O)[n-]c1=O ZINC000951298195 808794551 /nfs/dbraw/zinc/79/45/51/808794551.db2.gz SWAYCMSCCBDBPL-MRVPVSSYSA-N -1 0 307.310 -0.586 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297741 808794647 /nfs/dbraw/zinc/79/46/47/808794647.db2.gz JBUSCENXJSZIFT-LSFDQVSLSA-N -1 0 307.310 -0.420 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951298075 808794745 /nfs/dbraw/zinc/79/47/45/808794745.db2.gz PWWYBULHEROFFN-HTQZYQBOSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC000951442445 808817309 /nfs/dbraw/zinc/81/73/09/808817309.db2.gz ULGZCYNOTSKYIS-QMMMGPOBSA-N -1 0 319.325 -0.505 20 0 DBADRM O=C(N[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C(F)F ZINC000951462034 808824802 /nfs/dbraw/zinc/82/48/02/808824802.db2.gz WCQHKICKLDFLEB-YFKPBYRVSA-N -1 0 317.252 -0.731 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000951461731 808825096 /nfs/dbraw/zinc/82/50/96/808825096.db2.gz RSDPQALZNKVLTR-YIZRAAEISA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000951476549 808832198 /nfs/dbraw/zinc/83/21/98/808832198.db2.gz GRDXKVIYGCNXDX-KXUCPTDWSA-N -1 0 320.349 -0.527 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC000951550236 808842574 /nfs/dbraw/zinc/84/25/74/808842574.db2.gz MKMJFIOAUCYAOB-JTQLQIEISA-N -1 0 305.338 -0.839 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000951615272 808861485 /nfs/dbraw/zinc/86/14/85/808861485.db2.gz GRDXKVIYGCNXDX-AEJSXWLSSA-N -1 0 320.349 -0.527 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC000951648722 808871320 /nfs/dbraw/zinc/87/13/20/808871320.db2.gz DOZSLCTZNIMABR-UKKRHICBSA-N -1 0 320.349 -0.353 20 0 DBADRM Cc1ccc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)c(=O)[nH]1 ZINC001038741674 815242613 /nfs/dbraw/zinc/24/26/13/815242613.db2.gz JHSPHSZCIOWUJK-SECBINFHSA-N -1 0 318.337 -0.076 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000952244289 808977467 /nfs/dbraw/zinc/97/74/67/808977467.db2.gz IWQPDHBAPATQQC-IUCAKERBSA-N -1 0 321.337 -0.794 20 0 DBADRM O=C(CCc1ncccn1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000952334239 808982752 /nfs/dbraw/zinc/98/27/52/808982752.db2.gz DZZMTYKIXZBWET-UHFFFAOYSA-N -1 0 317.353 -0.423 20 0 DBADRM CCN(C(=O)c1c[n-]n2c1nccc2=O)C1CN(CCCO)C1 ZINC000952418393 808988944 /nfs/dbraw/zinc/98/89/44/808988944.db2.gz MKSWXBQVCVJIKR-UHFFFAOYSA-N -1 0 319.365 -0.449 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCO1 ZINC000952440401 808990849 /nfs/dbraw/zinc/99/08/49/808990849.db2.gz ZBEPLQMEPLYXJS-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM CC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000952447127 808991392 /nfs/dbraw/zinc/99/13/92/808991392.db2.gz BYAPOKGWHSZIIL-FGWVZKOKSA-N -1 0 323.353 -0.263 20 0 DBADRM CCC(=O)N1CC[C@@]2(CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000953012365 809013740 /nfs/dbraw/zinc/01/37/40/809013740.db2.gz CHTGHDCEWKNTFY-CQSZACIVSA-N -1 0 321.337 -0.243 20 0 DBADRM CC(=O)N1CC[C@]2(CCN(C(=O)c3cnc([O-])n(C)c3=O)C2)C1 ZINC000953027413 809013927 /nfs/dbraw/zinc/01/39/27/809013927.db2.gz CECYJENPKLCEGL-HNNXBMFYSA-N -1 0 320.349 -0.430 20 0 DBADRM CC(=O)N1CC[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC000953401954 809039462 /nfs/dbraw/zinc/03/94/62/809039462.db2.gz JSFBZQPWPHQMDN-ZYHUDNBSSA-N -1 0 320.349 -0.431 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000953628870 809059357 /nfs/dbraw/zinc/05/93/57/809059357.db2.gz RKBAFDYTTGGOFL-CBAPKCEASA-N -1 0 309.326 -0.986 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000953635584 809059638 /nfs/dbraw/zinc/05/96/38/809059638.db2.gz KLNSTWRCDPVBPW-WCBMZHEXSA-N -1 0 320.349 -0.575 20 0 DBADRM CC(=O)N[C@H](C)[C@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000953637881 809060456 /nfs/dbraw/zinc/06/04/56/809060456.db2.gz PMXNTGHNMWWXMS-PSASIEDQSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(C)C(=O)N(C)C1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000953764201 809081888 /nfs/dbraw/zinc/08/18/88/809081888.db2.gz UGKOTZPDGDJYIV-UHFFFAOYSA-N -1 0 317.349 -0.039 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)[C@@H]3COCCO3)C2)c1[O-] ZINC000953769291 809082628 /nfs/dbraw/zinc/08/26/28/809082628.db2.gz GTPYVBHVZVGJTO-JTQLQIEISA-N -1 0 324.337 -0.878 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)Cc3cc[nH]n3)C2)c1[O-] ZINC000954068008 809153854 /nfs/dbraw/zinc/15/38/54/809153854.db2.gz CWOSJFIPVBWROW-UHFFFAOYSA-N -1 0 318.337 -0.328 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000954070121 809154711 /nfs/dbraw/zinc/15/47/11/809154711.db2.gz MXVHHSSHBQYXFL-UHFFFAOYSA-N -1 0 319.325 -0.553 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)Cc3ncc[nH]3)C2)c1[O-] ZINC000954069938 809154741 /nfs/dbraw/zinc/15/47/41/809154741.db2.gz IVZNHFJBILWAHJ-UHFFFAOYSA-N -1 0 318.337 -0.328 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3cn[nH]n3)C2)c1[O-] ZINC000954070965 809155510 /nfs/dbraw/zinc/15/55/10/809155510.db2.gz BBIBUNOPOARPBQ-UHFFFAOYSA-N -1 0 305.298 -0.862 20 0 DBADRM CCC(=O)N1CCC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000954124619 809167687 /nfs/dbraw/zinc/16/76/87/809167687.db2.gz HBAYZHLPLHPCJC-UHFFFAOYSA-N -1 0 311.342 -0.451 20 0 DBADRM COc1c(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001038960703 815272589 /nfs/dbraw/zinc/27/25/89/815272589.db2.gz HSPSMKRTPPYKCM-QMMMGPOBSA-N -1 0 321.341 -0.743 20 0 DBADRM CN(C(=O)C1(C)CC1)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000954471439 809240176 /nfs/dbraw/zinc/24/01/76/809240176.db2.gz LWLKDCVXBLHFLF-UHFFFAOYSA-N -1 0 320.349 -0.431 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1ccc(=O)[nH]c1 ZINC001038986798 815276274 /nfs/dbraw/zinc/27/62/74/815276274.db2.gz PKAUOHHHATXZOI-SECBINFHSA-N -1 0 304.310 -0.385 20 0 DBADRM CC(C)[C@@H](C)C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954879603 809305050 /nfs/dbraw/zinc/30/50/50/809305050.db2.gz LDFIMUCIIMRCFI-MRVPVSSYSA-N -1 0 323.353 -0.142 20 0 DBADRM C[C@H](C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000954877526 809305297 /nfs/dbraw/zinc/30/52/97/809305297.db2.gz XOGQHGUAFZIXIY-ZETCQYMHSA-N -1 0 321.337 -0.388 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)[C@@H]2CC2(C)C)C1 ZINC000954877289 809305351 /nfs/dbraw/zinc/30/53/51/809305351.db2.gz RFXOAASMBBNKFT-QMMMGPOBSA-N -1 0 321.337 -0.388 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)c2ccc[nH]2)C1 ZINC000954934286 809311794 /nfs/dbraw/zinc/31/17/94/809311794.db2.gz YYUMCJJPMQWULF-UHFFFAOYSA-N -1 0 320.309 -1.000 20 0 DBADRM C/C=C(/C)C(=O)N1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000954951008 809316953 /nfs/dbraw/zinc/31/69/53/809316953.db2.gz IWDUCJRJMAETLC-UITAMQMPSA-N -1 0 320.349 -0.265 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3cnon3)C2)c1[O-] ZINC000955088425 809351854 /nfs/dbraw/zinc/35/18/54/809351854.db2.gz JNDGWZZQSJXUQV-UHFFFAOYSA-N -1 0 306.282 -0.597 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3cccnn3)C2)c1[O-] ZINC000955098438 809356919 /nfs/dbraw/zinc/35/69/19/809356919.db2.gz PFQIUOQIHVCUAF-UHFFFAOYSA-N -1 0 316.321 -0.190 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000955218485 809379874 /nfs/dbraw/zinc/37/98/74/809379874.db2.gz ZDARYPIODVMCDA-BDAKNGLRSA-N -1 0 323.353 -0.595 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000955218488 809379923 /nfs/dbraw/zinc/37/99/23/809379923.db2.gz ZDARYPIODVMCDA-RKDXNWHRSA-N -1 0 323.353 -0.595 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C(N)=O)C[C@H]2C)c1[O-] ZINC000955629431 809431164 /nfs/dbraw/zinc/43/11/64/809431164.db2.gz QFDQUSZQOWUPPF-SVRRBLITSA-N -1 0 309.326 -0.982 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)CC(N)=O)c1[O-] ZINC000955935007 809468872 /nfs/dbraw/zinc/46/88/72/809468872.db2.gz NWEFYWZRHKAHMD-QMMMGPOBSA-N -1 0 309.326 -0.980 20 0 DBADRM C[C@@]1(NC(=O)C2CC2)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000956615746 809530536 /nfs/dbraw/zinc/53/05/36/809530536.db2.gz UUAHHTFORBDXLE-CYBMUJFWSA-N -1 0 307.310 -0.586 20 0 DBADRM Cc1nonc1CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000956989455 809575952 /nfs/dbraw/zinc/57/59/52/809575952.db2.gz VEKSVUAVTSOTQO-UHFFFAOYSA-N -1 0 307.314 -0.911 20 0 DBADRM CCCC(=O)N1CC[C@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957234525 809607280 /nfs/dbraw/zinc/60/72/80/809607280.db2.gz HCJIFEYJLSTGCV-ZDUSSCGKSA-N -1 0 309.326 -0.196 20 0 DBADRM C[C@]1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(C(=O)C(F)F)C1 ZINC000957235767 809608120 /nfs/dbraw/zinc/60/81/20/809608120.db2.gz LETPNAVOKOUWAZ-NSHDSACASA-N -1 0 317.252 -0.731 20 0 DBADRM C[C@H](C(N)=O)N1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000957314589 809622085 /nfs/dbraw/zinc/62/20/85/809622085.db2.gz KPGUSKZISKXNEF-MRVPVSSYSA-N -1 0 319.321 -0.440 20 0 DBADRM C[C@@H](C(N)=O)N1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000957314590 809622195 /nfs/dbraw/zinc/62/21/95/809622195.db2.gz KPGUSKZISKXNEF-QMMMGPOBSA-N -1 0 319.321 -0.440 20 0 DBADRM O=C(c1cnn2cc[nH]c12)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957459419 809646309 /nfs/dbraw/zinc/64/63/09/809646309.db2.gz QVUXLKYEKWKUNO-UHFFFAOYSA-N -1 0 316.325 -0.556 20 0 DBADRM Cc1nocc1CN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000957473836 809647787 /nfs/dbraw/zinc/64/77/87/809647787.db2.gz HGUSAHOKCOIGQA-UHFFFAOYSA-N -1 0 322.325 -0.670 20 0 DBADRM Cc1conc1CN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000957474462 809648117 /nfs/dbraw/zinc/64/81/17/809648117.db2.gz UDCRJVGXSIBENH-UHFFFAOYSA-N -1 0 322.325 -0.670 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(Cc2cscn2)CC1 ZINC000957473656 809648137 /nfs/dbraw/zinc/64/81/37/809648137.db2.gz DAZAEFIAXRYVJS-UHFFFAOYSA-N -1 0 324.366 -0.510 20 0 DBADRM CC(C)C(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC000957581226 809655793 /nfs/dbraw/zinc/65/57/93/809655793.db2.gz QCNZDKNLEAYQHT-MWLCHTKSSA-N -1 0 322.365 -0.281 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCCCC1 ZINC000957821416 809683040 /nfs/dbraw/zinc/68/30/40/809683040.db2.gz RKIPVYFUGAKPNW-NEPJUHHUSA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccccc1 ZINC000957826082 809684044 /nfs/dbraw/zinc/68/40/44/809684044.db2.gz NJLZPQPBOKKIFQ-VXGBXAGGSA-N -1 0 317.349 -0.267 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957823561 809684694 /nfs/dbraw/zinc/68/46/94/809684694.db2.gz YPYSAUVTTGBFLD-LLVKDONJSA-N -1 0 322.369 -0.835 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccco1 ZINC000957830514 809685663 /nfs/dbraw/zinc/68/56/63/809685663.db2.gz MJUCPTGIBGPXSE-DTWKUNHWSA-N -1 0 307.310 -0.674 20 0 DBADRM CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC000957836332 809687816 /nfs/dbraw/zinc/68/78/16/809687816.db2.gz GFLROAMMYCJSRO-GUBZILKMSA-N -1 0 309.326 -0.795 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)no1 ZINC000957848362 809690748 /nfs/dbraw/zinc/69/07/48/809690748.db2.gz XWTOIACGQPCTEN-WPRPVWTQSA-N -1 0 322.325 -0.971 20 0 DBADRM Cc1occc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000957852395 809691706 /nfs/dbraw/zinc/69/17/06/809691706.db2.gz XEWKEBIPZCBPES-MWLCHTKSSA-N -1 0 321.337 -0.366 20 0 DBADRM Cc1ccoc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000957859120 809694657 /nfs/dbraw/zinc/69/46/57/809694657.db2.gz LJIPGKNECVYCSJ-ZJUUUORDSA-N -1 0 321.337 -0.366 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cncs1 ZINC000957911511 809715130 /nfs/dbraw/zinc/71/51/30/809715130.db2.gz QVZUEPPOMHULQQ-YUMQZZPRSA-N -1 0 324.366 -0.811 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cscn1 ZINC000957915771 809716486 /nfs/dbraw/zinc/71/64/86/809716486.db2.gz XXWGSTDENKAPLK-IONNQARKSA-N -1 0 324.366 -0.811 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)c1[O-] ZINC000957969091 809730877 /nfs/dbraw/zinc/73/08/77/809730877.db2.gz JFNWQQWBOJBBSY-CIUDSAMLSA-N -1 0 321.337 -0.982 20 0 DBADRM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ncc[nH]1)C2)c1cn[nH]n1 ZINC000958076146 809760443 /nfs/dbraw/zinc/76/04/43/809760443.db2.gz ZTRSSHOWCGYWMB-AEJSXWLSSA-N -1 0 315.337 -0.049 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)cn1 ZINC000958184982 809799679 /nfs/dbraw/zinc/79/96/79/809799679.db2.gz KOBDCRSKZMFLCB-JZYVYDRUSA-N -1 0 303.326 -0.896 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc(F)c[nH]1 ZINC000958278489 809840496 /nfs/dbraw/zinc/84/04/96/809840496.db2.gz VFVRFRKPZMDCFB-XCBNKYQSSA-N -1 0 324.316 -0.800 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000958339822 809866279 /nfs/dbraw/zinc/86/62/79/809866279.db2.gz NWNVNQQJTGCXFV-YBXAARCKSA-N -1 0 321.381 -0.535 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1=COCCC1 ZINC000958377305 809885180 /nfs/dbraw/zinc/88/51/80/809885180.db2.gz DFBWITFZUMHKEY-IAZYJMLFSA-N -1 0 305.338 -0.249 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC2(CC2)C1 ZINC000958399043 809893672 /nfs/dbraw/zinc/89/36/72/809893672.db2.gz IUIZDPMDSHQQCZ-WDEREUQCSA-N -1 0 321.381 -0.391 20 0 DBADRM Cc1cc(CC(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)no1 ZINC000958418496 809903595 /nfs/dbraw/zinc/90/35/95/809903595.db2.gz DMZUMCXMQITRSD-IWIIMEHWSA-N -1 0 318.337 -0.404 20 0 DBADRM CCc1ocnc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958440985 809912152 /nfs/dbraw/zinc/91/21/52/809912152.db2.gz NIEUGCBRVJZJNA-VROVMSAKSA-N -1 0 318.337 -0.079 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1nccs1 ZINC000958519948 809949502 /nfs/dbraw/zinc/94/95/02/809949502.db2.gz QVVXVHMNQXTVIY-JGVFFNPUSA-N -1 0 324.366 -0.811 20 0 DBADRM Cn1ccc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)c1 ZINC000958570523 809959613 /nfs/dbraw/zinc/95/96/13/809959613.db2.gz WNQKTDONDHLLOZ-IAZYJMLFSA-N -1 0 302.338 -0.291 20 0 DBADRM Cc1conc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958575351 809963000 /nfs/dbraw/zinc/96/30/00/809963000.db2.gz XDJXAZQUHMMTHV-RKDXNWHRSA-N -1 0 322.325 -0.971 20 0 DBADRM O=C(Cc1cccnc1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958576631 809964243 /nfs/dbraw/zinc/96/42/43/809964243.db2.gz NXWAQNWOEHWQOO-YABSGUDNSA-N -1 0 314.349 -0.306 20 0 DBADRM O=C(Cc1ccoc1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958650120 809993064 /nfs/dbraw/zinc/99/30/64/809993064.db2.gz GIFAZRMNHJNSRP-IWIIMEHWSA-N -1 0 303.322 -0.108 20 0 DBADRM O=C(c1cn[nH]n1)N1C[C@H]2CCC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001039720074 815333186 /nfs/dbraw/zinc/33/31/86/815333186.db2.gz RDKDSYAMJXZGIV-DTORHVGOSA-N -1 0 318.341 -0.493 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@H]2CCC[C@@H](C1)N2CCF ZINC001039731419 815334473 /nfs/dbraw/zinc/33/44/73/815334473.db2.gz PHFXAXSQZOLPQN-DTORHVGOSA-N -1 0 311.317 -0.069 20 0 DBADRM CC(C)C(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000959062573 810078003 /nfs/dbraw/zinc/07/80/03/810078003.db2.gz ILMGHLGVHPLUOR-RKDXNWHRSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000959302154 810093795 /nfs/dbraw/zinc/09/37/95/810093795.db2.gz SWYATKQYLFJSAH-KOLCDFICSA-N -1 0 317.349 -0.133 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@H]2CN(C(=O)C3CC3)C[C@H]2C1 ZINC000959777335 810122046 /nfs/dbraw/zinc/12/20/46/810122046.db2.gz GEJDFBDIZBGQAD-DTORHVGOSA-N -1 0 319.321 -0.777 20 0 DBADRM COCC(=O)N1CCO[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21 ZINC000959896600 810136426 /nfs/dbraw/zinc/13/64/26/810136426.db2.gz PRRSKJRBGYHOMG-VHSXEESVSA-N -1 0 324.337 -0.878 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ccsn1 ZINC000960474462 810178121 /nfs/dbraw/zinc/17/81/21/810178121.db2.gz CWMIFCFNKASONH-MTBHXBHISA-N -1 0 306.351 -0.173 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)c1cnnn1C ZINC000960599417 810186099 /nfs/dbraw/zinc/18/60/99/810186099.db2.gz FZWWPPKQVJGCDN-SECBINFHSA-N -1 0 320.357 -0.625 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC000960614196 810187633 /nfs/dbraw/zinc/18/76/33/810187633.db2.gz VTNBIZXXKYWPIU-ZYHUDNBSSA-N -1 0 311.386 -0.050 20 0 DBADRM CCc1n[nH]cc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000960740981 810196713 /nfs/dbraw/zinc/19/67/13/810196713.db2.gz MKMVMZYCCSHORD-GDGBQDQQSA-N -1 0 317.353 -0.344 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC000960783460 810200893 /nfs/dbraw/zinc/20/08/93/810200893.db2.gz MSGDINVPSYGOQD-SECBINFHSA-N -1 0 320.357 -0.327 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)Cc1ncc[nH]1 ZINC000960946351 810214213 /nfs/dbraw/zinc/21/42/13/810214213.db2.gz LBEIULBIXHVDRG-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)Cn1ccnc1 ZINC000961034940 810218220 /nfs/dbraw/zinc/21/82/20/810218220.db2.gz BAJSIZXIJDEFNM-NSHDSACASA-N -1 0 319.369 -0.170 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@@H]1O ZINC000961063560 810221736 /nfs/dbraw/zinc/22/17/36/810221736.db2.gz FXXTTXAJDILXAO-BDAKNGLRSA-N -1 0 306.278 -0.750 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@](O)(CNC(=O)C3(C)CC3)C2)c1[O-] ZINC001040073343 815353062 /nfs/dbraw/zinc/35/30/62/815353062.db2.gz JULUOXBUPDTLAG-OAHLLOKOSA-N -1 0 322.365 -0.083 20 0 DBADRM NC(=O)CC(=O)N1CC[C@]2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001040123639 815359843 /nfs/dbraw/zinc/35/98/43/815359843.db2.gz OBTAWQJYPKDKOC-CQSZACIVSA-N -1 0 322.369 -0.800 20 0 DBADRM NC(=O)CC(=O)N1CC[C@@]2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001040123636 815359963 /nfs/dbraw/zinc/35/99/63/815359963.db2.gz OBTAWQJYPKDKOC-AWEZNQCLSA-N -1 0 322.369 -0.800 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3ccon3)[C@@H](O)C2)c1[O-] ZINC000961740184 810357350 /nfs/dbraw/zinc/35/73/50/810357350.db2.gz DQLAKTDCVNPTAR-BDAKNGLRSA-N -1 0 321.293 -0.973 20 0 DBADRM CCn1ccc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)n1 ZINC000961929420 810405133 /nfs/dbraw/zinc/40/51/33/810405133.db2.gz DCXPJNBMPNLEGH-GDGBQDQQSA-N -1 0 317.353 -0.413 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)n1 ZINC000962004889 810421410 /nfs/dbraw/zinc/42/14/10/810421410.db2.gz VUHRQMYRRYAIMF-MBTKJCJQSA-N -1 0 303.326 -0.598 20 0 DBADRM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCOC1 ZINC000962145405 810456572 /nfs/dbraw/zinc/45/65/72/810456572.db2.gz RHDVWBYGTDWFQB-SAOAKYDJSA-N -1 0 307.354 -0.517 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C=C3CCC3)[C@@H](O)C2)c1[O-] ZINC000962200059 810471875 /nfs/dbraw/zinc/47/18/75/810471875.db2.gz MCMJTJZCBZSJJY-MNOVXSKESA-N -1 0 320.349 -0.164 20 0 DBADRM CCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000962519125 810543581 /nfs/dbraw/zinc/54/35/81/810543581.db2.gz OLMKSTVOKUJHPD-RKDXNWHRSA-N -1 0 321.337 -0.102 20 0 DBADRM CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000962532761 810545358 /nfs/dbraw/zinc/54/53/58/810545358.db2.gz JQHHMBSPJOFOCG-BDAKNGLRSA-N -1 0 307.310 -0.492 20 0 DBADRM CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000962532767 810545546 /nfs/dbraw/zinc/54/55/46/810545546.db2.gz JQHHMBSPJOFOCG-RKDXNWHRSA-N -1 0 307.310 -0.492 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000963044711 810602859 /nfs/dbraw/zinc/60/28/59/810602859.db2.gz JEXOUXPTPSXWFX-MTBHXBHISA-N -1 0 305.298 -0.938 20 0 DBADRM CCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000963412190 810626470 /nfs/dbraw/zinc/62/64/70/810626470.db2.gz FMNUPKVADNKILT-RKDXNWHRSA-N -1 0 321.337 -0.102 20 0 DBADRM CCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000963434213 810626792 /nfs/dbraw/zinc/62/67/92/810626792.db2.gz XWHLTGWTMLIIQY-NXEZZACHSA-N -1 0 323.353 -0.309 20 0 DBADRM CC(=O)NC[C@H]1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000963983241 810671602 /nfs/dbraw/zinc/67/16/02/810671602.db2.gz PMXVZSFXUAEFGS-KYZUINATSA-N -1 0 309.326 -0.293 20 0 DBADRM O=C(N[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1)C1CC1 ZINC000964657941 810793679 /nfs/dbraw/zinc/79/36/79/810793679.db2.gz CJQLLICKTQAHHI-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnn(C)c1 ZINC000965032880 810820195 /nfs/dbraw/zinc/82/01/95/810820195.db2.gz MMYXKVSRXWZUFJ-GXSJLCMTSA-N -1 0 319.369 -0.116 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCCN(C(=O)C2CC2)CC1 ZINC000965061376 810824842 /nfs/dbraw/zinc/82/48/42/810824842.db2.gz RQYVWENPKNEPHL-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCN(C(=O)C2CC2)CC1 ZINC000965061377 810824880 /nfs/dbraw/zinc/82/48/80/810824880.db2.gz RQYVWENPKNEPHL-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)CC2)c1[O-] ZINC000965130253 810833118 /nfs/dbraw/zinc/83/31/18/810833118.db2.gz GQBNDNGBJKCEKR-MRVPVSSYSA-N -1 0 309.326 -0.980 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cn1cccn1 ZINC000965149687 810839232 /nfs/dbraw/zinc/83/92/32/810839232.db2.gz JGTVBRKJCSKNMQ-GHMZBOCLSA-N -1 0 319.369 -0.266 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cn[nH]c1 ZINC000965373631 810871509 /nfs/dbraw/zinc/87/15/09/810871509.db2.gz QQXKANPNRPCRIC-SCZZXKLOSA-N -1 0 305.342 -0.126 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cncnc1 ZINC000965935449 810991592 /nfs/dbraw/zinc/99/15/92/810991592.db2.gz FQMUVVBMBLDHLP-GXSJLCMTSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ncn(C)n1 ZINC000965995578 811002252 /nfs/dbraw/zinc/00/22/52/811002252.db2.gz HAEHXQGMVGZBAG-BDAKNGLRSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ncc[nH]1 ZINC000965999334 811002740 /nfs/dbraw/zinc/00/27/40/811002740.db2.gz BCYCMMBYIQULKV-BDAKNGLRSA-N -1 0 305.342 -0.126 20 0 DBADRM CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000966010808 811004413 /nfs/dbraw/zinc/00/44/13/811004413.db2.gz DHAAHKSXOKHKJF-SCZZXKLOSA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000966048728 811007869 /nfs/dbraw/zinc/00/78/69/811007869.db2.gz MUBFWFWCWJUESC-GZMMTYOYSA-N -1 0 320.349 -0.527 20 0 DBADRM CC(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000966089122 811014482 /nfs/dbraw/zinc/01/44/82/811014482.db2.gz FABRESOCJYMZLL-DTWKUNHWSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cn1nccn1 ZINC000966428272 811072167 /nfs/dbraw/zinc/07/21/67/811072167.db2.gz XQBXEORZPYJIII-VHSXEESVSA-N -1 0 320.357 -0.871 20 0 DBADRM C[C@H]1CN(C(=O)C2(C)CC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000966487015 811085044 /nfs/dbraw/zinc/08/50/44/811085044.db2.gz GCOJINNSTYUNJH-DTWKUNHWSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2C)c1[O-] ZINC000966574947 811100313 /nfs/dbraw/zinc/10/03/13/811100313.db2.gz SRFNCCMIBAVFSC-MUWHJKNJSA-N -1 0 319.325 -0.568 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)CC1CC1 ZINC000966645381 811113836 /nfs/dbraw/zinc/11/38/36/811113836.db2.gz GPZLXFKJZGOQAC-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2C)c1[O-] ZINC000966714099 811130638 /nfs/dbraw/zinc/13/06/38/811130638.db2.gz KYXKVGHEUIPELM-IMTBSYHQSA-N -1 0 320.309 -0.303 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1(C)C ZINC000966924176 811185068 /nfs/dbraw/zinc/18/50/68/811185068.db2.gz PPBAPFVCNYFQQR-VIFPVBQESA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1C ZINC000967683219 811279293 /nfs/dbraw/zinc/27/92/93/811279293.db2.gz ZBROLAQSEHDOOT-VXNVDRBHSA-N -1 0 320.357 -0.423 20 0 DBADRM CCN(C(=O)[C@@H]1C[C@@H]1C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000967754626 811290939 /nfs/dbraw/zinc/29/09/39/811290939.db2.gz IXWFFRMAGQKRNY-WCBMZHEXSA-N -1 0 323.353 -0.595 20 0 DBADRM CCN(C(=O)c1c[n-]n2c1nccc2=O)C1CN(C(C)=O)C1 ZINC000967970750 811327430 /nfs/dbraw/zinc/32/74/30/811327430.db2.gz MMAREWJIGKBFSY-UHFFFAOYSA-N -1 0 303.322 -0.285 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)[C@H]2C[C@H]2C)C1 ZINC000968172670 811358057 /nfs/dbraw/zinc/35/80/57/811358057.db2.gz XZWMBWXKZKTZFY-APPZFPTMSA-N -1 0 321.337 -0.388 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cccnn1 ZINC000968459046 811416030 /nfs/dbraw/zinc/41/60/30/811416030.db2.gz IGLVQDPPVUOWMX-KOLCDFICSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC000968520997 811433938 /nfs/dbraw/zinc/43/39/38/811433938.db2.gz ORSOQSMARQJAAI-DTWKUNHWSA-N -1 0 320.357 -0.802 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1C ZINC000968697523 811478128 /nfs/dbraw/zinc/47/81/28/811478128.db2.gz GOPYDWACIOWICK-CBAPKCEASA-N -1 0 321.341 -0.158 20 0 DBADRM O=C(NC[C@H]1CCCCCN1Cc1n[nH]c(=O)[n-]1)c1cn[nH]n1 ZINC000968931050 811516661 /nfs/dbraw/zinc/51/66/61/811516661.db2.gz FDDKYIOTTRSNLL-SECBINFHSA-N -1 0 320.357 -0.197 20 0 DBADRM C[C@@H](N[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1)c1nncn1C ZINC000969035316 811537215 /nfs/dbraw/zinc/53/72/15/811537215.db2.gz PHDWTYAUKCTPEG-NXEZZACHSA-N -1 0 317.353 -0.124 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](O)C1 ZINC000969053926 811540094 /nfs/dbraw/zinc/54/00/94/811540094.db2.gz FPWOWPPEIZBTRB-BDAKNGLRSA-N -1 0 306.278 -0.750 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](NCc2cnsn2)C1 ZINC000969209621 811553088 /nfs/dbraw/zinc/55/30/88/811553088.db2.gz BRTNHOPAEGQZQU-ZCFIWIBFSA-N -1 0 323.338 -0.861 20 0 DBADRM Cc1nnsc1C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969281910 811559237 /nfs/dbraw/zinc/55/92/37/811559237.db2.gz SFEHMFNOVXCHQF-ZCFIWIBFSA-N -1 0 323.382 -0.079 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cnns3)C2)c1[O-] ZINC000990354726 811600875 /nfs/dbraw/zinc/60/08/75/811600875.db2.gz YDFSZBNFCSOLNG-UHFFFAOYSA-N -1 0 308.323 -0.470 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)Cc3ccon3)C2)c1[O-] ZINC000990558704 811701218 /nfs/dbraw/zinc/70/12/18/811701218.db2.gz ZWMUGJNZFBCYNK-UHFFFAOYSA-N -1 0 305.294 -0.405 20 0 DBADRM Cc1ncoc1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000990668707 811741398 /nfs/dbraw/zinc/74/13/98/811741398.db2.gz DLQFIEADCPPSFB-UHFFFAOYSA-N -1 0 305.294 -0.025 20 0 DBADRM C[C@H](C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000990673031 811741405 /nfs/dbraw/zinc/74/14/05/811741405.db2.gz CYNINAIEKDTJGG-LURJTMIESA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@@H](C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1)C1CC1 ZINC000990692791 811743848 /nfs/dbraw/zinc/74/38/48/811743848.db2.gz NYAHIOVRIXUIIR-MRVPVSSYSA-N -1 0 320.349 -0.527 20 0 DBADRM CC1CC(C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000990748243 811751467 /nfs/dbraw/zinc/75/14/67/811751467.db2.gz CHHVUOZYTRNCRQ-UHFFFAOYSA-N -1 0 309.326 -0.938 20 0 DBADRM Cc1cc(CC(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)n[nH]1 ZINC000990773249 811759737 /nfs/dbraw/zinc/75/97/37/811759737.db2.gz BKABHOSKMIPZRT-UHFFFAOYSA-N -1 0 318.337 -0.361 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)C[C@@H]3COC(=O)C3)C2)c1[O-] ZINC000990831510 811780699 /nfs/dbraw/zinc/78/06/99/811780699.db2.gz JNDSIDCHVBGMRP-QMMMGPOBSA-N -1 0 322.321 -0.682 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@H]3CCCCO3)C2)c1[O-] ZINC000990847618 811787565 /nfs/dbraw/zinc/78/75/65/811787565.db2.gz HYIBSDQGGJIQNH-SNVBAGLBSA-N -1 0 308.338 -0.067 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3csnn3)C2)c1[O-] ZINC000990853357 811789528 /nfs/dbraw/zinc/78/95/28/811789528.db2.gz HIAUPMPHIAEQAK-UHFFFAOYSA-N -1 0 308.323 -0.470 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)Cc3nonc3C)C2)c1[O-] ZINC000990860326 811791880 /nfs/dbraw/zinc/79/18/80/811791880.db2.gz OFSXWWRVPKXGOA-UHFFFAOYSA-N -1 0 320.309 -0.702 20 0 DBADRM CO[C@@H](C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1)C1CC1 ZINC000990863120 811792632 /nfs/dbraw/zinc/79/26/32/811792632.db2.gz CMQJIDJCRZXKGI-GFCCVEGCSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)CCn3cncn3)C2)c1[O-] ZINC000990864263 811792738 /nfs/dbraw/zinc/79/27/38/811792738.db2.gz KYTALPCKPXHYMX-UHFFFAOYSA-N -1 0 319.325 -0.954 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CCCCO3)C2)c1[O-] ZINC000990863601 811793074 /nfs/dbraw/zinc/79/30/74/811793074.db2.gz DSPOQGYDNCUMBI-JTQLQIEISA-N -1 0 308.338 -0.067 20 0 DBADRM CCn1cnc(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)c1 ZINC000990866143 811793683 /nfs/dbraw/zinc/79/36/83/811793683.db2.gz USSIODUXGLIKQG-UHFFFAOYSA-N -1 0 318.337 -0.105 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@H]3CCCOC3)C2)c1[O-] ZINC000990865384 811793696 /nfs/dbraw/zinc/79/36/96/811793696.db2.gz PGPCSUBMUFJOJN-VIFPVBQESA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3ccnnc3C)C2)c1[O-] ZINC000990865593 811793964 /nfs/dbraw/zinc/79/39/64/811793964.db2.gz RGLDEHTXZWVMDV-UHFFFAOYSA-N -1 0 316.321 -0.223 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)C3CCOCC3)C2)c1[O-] ZINC000990866002 811794246 /nfs/dbraw/zinc/79/42/46/811794246.db2.gz SHFYKUIPKCQKDL-UHFFFAOYSA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)CC3OCCCO3)C2)c1[O-] ZINC000991009001 811848985 /nfs/dbraw/zinc/84/89/85/811848985.db2.gz XVONZCDWYVCBBE-UHFFFAOYSA-N -1 0 324.337 -0.483 20 0 DBADRM Cc1cc(C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)co1 ZINC000991021451 811849873 /nfs/dbraw/zinc/84/98/73/811849873.db2.gz IMOBLKDZCBWOQS-UHFFFAOYSA-N -1 0 321.293 -0.768 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C(F)F)[C@@H](O)C2)c1[O-] ZINC000991153576 811910006 /nfs/dbraw/zinc/91/00/06/811910006.db2.gz FBPUJIJVWSDVBP-BQBZGAKWSA-N -1 0 318.280 -0.620 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C3CC3)[C@H](O)C2)c1[O-] ZINC000991194437 811951865 /nfs/dbraw/zinc/95/18/65/811951865.db2.gz SAZXGESQLMNXDE-VHSXEESVSA-N -1 0 308.338 -0.475 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C3CC3)[C@@H](O)C2)c1[O-] ZINC000991194439 811952217 /nfs/dbraw/zinc/95/22/17/811952217.db2.gz SAZXGESQLMNXDE-ZJUUUORDSA-N -1 0 308.338 -0.475 20 0 DBADRM CC(C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@H]1C ZINC001004528641 811993478 /nfs/dbraw/zinc/99/34/78/811993478.db2.gz FOOFMYHKZDAUIX-RKDXNWHRSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(=O)N1CC[C@@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001005117921 812030131 /nfs/dbraw/zinc/03/01/31/812030131.db2.gz SHFLFUHTEDFCSI-LDYMZIIASA-N -1 0 308.338 -0.527 20 0 DBADRM CCC(=O)N1CC[C@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001005116378 812030179 /nfs/dbraw/zinc/03/01/79/812030179.db2.gz OJGUVIFBWNOGMV-GXSJLCMTSA-N -1 0 322.365 -0.137 20 0 DBADRM CN(C(=O)c1cnnn1C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005333758 812061006 /nfs/dbraw/zinc/06/10/06/812061006.db2.gz GVMLLESGBPGJAX-UHFFFAOYSA-N -1 0 320.357 -0.625 20 0 DBADRM CC(=O)N1CCCCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001005473483 812070031 /nfs/dbraw/zinc/07/00/31/812070031.db2.gz FDXCESJFGZAMGE-SECBINFHSA-N -1 0 309.326 -0.196 20 0 DBADRM C[C@@H](NC(=O)C1CCC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001005558614 812076712 /nfs/dbraw/zinc/07/67/12/812076712.db2.gz FYUOTVAWBIGKOR-SSDOTTSWSA-N -1 0 321.337 -0.340 20 0 DBADRM CN(C(=O)[C@@H]1CCNC1=O)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005823673 812121211 /nfs/dbraw/zinc/12/12/11/812121211.db2.gz VXYQVAAUJMNLFF-SNVBAGLBSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C(=O)[C@H]1CCNC1=O)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005823672 812121295 /nfs/dbraw/zinc/12/12/95/812121295.db2.gz VXYQVAAUJMNLFF-JTQLQIEISA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C(=O)Cn1cncn1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001006380112 812191752 /nfs/dbraw/zinc/19/17/52/812191752.db2.gz IAQFYWHQWVLNFW-UHFFFAOYSA-N -1 0 320.357 -0.775 20 0 DBADRM Cc1nonc1C(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001006476886 812211339 /nfs/dbraw/zinc/21/13/39/812211339.db2.gz WPGWOHVPGFJSIH-UHFFFAOYSA-N -1 0 321.341 -0.062 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC001006495008 812213879 /nfs/dbraw/zinc/21/38/79/812213879.db2.gz QMFADNATOCPMDW-ZKWXMUAHSA-N -1 0 321.337 -0.485 20 0 DBADRM C[C@H](NC(=O)[C@@H]1C[C@H]1C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006572187 812219932 /nfs/dbraw/zinc/21/99/32/812219932.db2.gz ZCPRHYDQWBVCBA-BKPPORCPSA-N -1 0 321.337 -0.485 20 0 DBADRM Nc1nccnc1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001006964712 812260944 /nfs/dbraw/zinc/26/09/44/812260944.db2.gz LQLOHRAFQNIXLO-MRVPVSSYSA-N -1 0 318.341 -0.723 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(Cc3nnn(C)n3)C2)c1[O-] ZINC001007123547 812268729 /nfs/dbraw/zinc/26/87/29/812268729.db2.gz WWCXNRYRLJWZJG-VIFPVBQESA-N -1 0 320.357 -0.658 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)C1=CCOCC1 ZINC001007187245 812275199 /nfs/dbraw/zinc/27/51/99/812275199.db2.gz FJXSKKMIGBJKMK-LLVKDONJSA-N -1 0 307.354 -0.062 20 0 DBADRM Cn1oc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)cc1=O ZINC001007217117 812278019 /nfs/dbraw/zinc/27/80/19/812278019.db2.gz SWTSPVIDOQLHNT-MRVPVSSYSA-N -1 0 322.325 -0.804 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001007274453 812291154 /nfs/dbraw/zinc/29/11/54/812291154.db2.gz UZBLUNILTPXAJJ-QMMMGPOBSA-N -1 0 306.330 -0.967 20 0 DBADRM CCn1ncc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001007283074 812292582 /nfs/dbraw/zinc/29/25/82/812292582.db2.gz CIBDMPZWUZKCOT-SECBINFHSA-N -1 0 320.357 -0.484 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cn[nH]c(=O)c1 ZINC001007545145 812324673 /nfs/dbraw/zinc/32/46/73/812324673.db2.gz DVHHGSXQNGWYGB-SECBINFHSA-N -1 0 319.325 -0.600 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007550471 812327136 /nfs/dbraw/zinc/32/71/36/812327136.db2.gz DGSYNTSNQBNHCW-MRVPVSSYSA-N -1 0 321.341 -0.358 20 0 DBADRM CCC(=O)N[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1(C)C ZINC001007739623 812351713 /nfs/dbraw/zinc/35/17/13/812351713.db2.gz KQJLLSOUCHJVGA-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM CCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001007884478 812363821 /nfs/dbraw/zinc/36/38/21/812363821.db2.gz JWAOMGYMGKYUFV-RTHLEPHNSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@@]1(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CNC(=O)C1 ZINC001008036823 812378377 /nfs/dbraw/zinc/37/83/77/812378377.db2.gz RMUKPWZAJSQQIU-OTYXRUKQSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001008232761 812404484 /nfs/dbraw/zinc/40/44/84/812404484.db2.gz OVBTVSYONMVWQF-UXCLJVHYSA-N -1 0 307.354 -0.517 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@]1(F)CCOC1 ZINC001008302649 812410688 /nfs/dbraw/zinc/41/06/88/812410688.db2.gz IWVHQNQBGWLZCD-TVQRCGJNSA-N -1 0 313.333 -0.281 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C(C)(C)C1 ZINC001008409123 812427174 /nfs/dbraw/zinc/42/71/74/812427174.db2.gz UXLRLZKUFWQZKG-SNVBAGLBSA-N -1 0 308.338 -0.527 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C(C)(F)F)C2)c1[O-] ZINC001041137585 815527270 /nfs/dbraw/zinc/52/72/70/815527270.db2.gz IDZXTCPZEFOSSW-UHFFFAOYSA-N -1 0 318.280 -0.618 20 0 DBADRM O=C(Cc1c[nH]cn1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008683452 812459809 /nfs/dbraw/zinc/45/98/09/812459809.db2.gz PLIJHZSJVIUPMO-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM O=C(Cc1ncc[nH]1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008985357 812495813 /nfs/dbraw/zinc/49/58/13/812495813.db2.gz FDYMQLCIHPMYFD-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM CC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3c[n-]n4c3nccc4=O)[C@@H]2C1 ZINC001009060384 812506300 /nfs/dbraw/zinc/50/63/00/812506300.db2.gz BXRZLPVWCXRQSU-WLLOZRIZSA-N -1 0 315.333 -0.523 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C1 ZINC001009858307 812596894 /nfs/dbraw/zinc/59/68/94/812596894.db2.gz KARWPLQILFJRLP-GUBZILKMSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](C)N(C(=O)CC(N)=O)C2)c1[O-] ZINC001010075811 812616547 /nfs/dbraw/zinc/61/65/47/812616547.db2.gz HUAZQDPFDJAMBV-IONNQARKSA-N -1 0 323.353 -0.734 20 0 DBADRM CC(=O)NC[C@@H]1C[C@@H](C)N(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001010206317 812636921 /nfs/dbraw/zinc/63/69/21/812636921.db2.gz BLASWWXSWYVZRK-SCZZXKLOSA-N -1 0 323.353 -0.412 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@]3(CCN(CC(N)=O)C3)C2)c1[O-] ZINC001041208254 815546989 /nfs/dbraw/zinc/54/69/89/815546989.db2.gz VHKVRUBBMISLTJ-AWEZNQCLSA-N -1 0 307.354 -0.553 20 0 DBADRM O=C(Cc1cccnc1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010621429 812727202 /nfs/dbraw/zinc/72/72/02/812727202.db2.gz UENWALIDBAICIM-NSHDSACASA-N -1 0 302.338 -0.162 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(=O)N3CCC3)C2)c1[O-] ZINC001010645572 812732731 /nfs/dbraw/zinc/73/27/31/812732731.db2.gz ZOXVDQUJNFTNJL-SNVBAGLBSA-N -1 0 307.354 -0.540 20 0 DBADRM CCn1nccc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010738401 812757856 /nfs/dbraw/zinc/75/78/56/812757856.db2.gz AYGARLZFPZRROZ-SECBINFHSA-N -1 0 305.342 -0.269 20 0 DBADRM O=C(CCC1CC1)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001010769420 812763204 /nfs/dbraw/zinc/76/32/04/812763204.db2.gz JYGRIZBTIVFUMJ-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM O=C(Cc1cncnc1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010800706 812772262 /nfs/dbraw/zinc/77/22/62/812772262.db2.gz NEMXBRMTTGHWDC-SNVBAGLBSA-N -1 0 303.326 -0.767 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC(O)CC1 ZINC001010804991 812774694 /nfs/dbraw/zinc/77/46/94/812774694.db2.gz FMKLLYTXSUBNMX-HSOILSAZSA-N -1 0 309.370 -0.248 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)Cc3cnoc3)CC2)c1[O-] ZINC001011010321 812811790 /nfs/dbraw/zinc/81/17/90/812811790.db2.gz YVMKVIANVYLXBX-UHFFFAOYSA-N -1 0 319.321 -0.061 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)c1[O-] ZINC001011009734 812812216 /nfs/dbraw/zinc/81/22/16/812812216.db2.gz OIUWPGKJEFJROM-URLYPYJESA-N -1 0 320.349 -0.399 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@@H]3C)C2)c1[O-] ZINC001041285426 815563772 /nfs/dbraw/zinc/56/37/72/815563772.db2.gz KZMCZESAYBZYOS-CBAPKCEASA-N -1 0 308.338 -0.617 20 0 DBADRM CC1(C(=O)N2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)CCC1 ZINC001011851991 812955426 /nfs/dbraw/zinc/95/54/26/812955426.db2.gz MBQRSSPNSSWQLW-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001011848736 812955444 /nfs/dbraw/zinc/95/54/44/812955444.db2.gz LVRRJIDROINMFW-NXEZZACHSA-N -1 0 323.353 -0.594 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001011878148 812963769 /nfs/dbraw/zinc/96/37/69/812963769.db2.gz ZDBDQWQJSYZRGU-CBAPKCEASA-N -1 0 309.326 -0.659 20 0 DBADRM C[C@H]1[C@@H](NC(=O)CC2CC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001011928147 812972649 /nfs/dbraw/zinc/97/26/49/812972649.db2.gz APISQGQLLVVJQX-CBAPKCEASA-N -1 0 321.337 -0.198 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C[C@@H]1C ZINC001012121649 813015233 /nfs/dbraw/zinc/01/52/33/813015233.db2.gz NXUIGZPZODRNRG-WCBMZHEXSA-N -1 0 303.322 -0.238 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C1CCC1 ZINC001012146074 813017107 /nfs/dbraw/zinc/01/71/07/813017107.db2.gz ZGMHFPKDEZQSHQ-APPZFPTMSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)CC1CC1 ZINC001012160099 813018185 /nfs/dbraw/zinc/01/81/85/813018185.db2.gz NYODLUIUECHRDW-APPZFPTMSA-N -1 0 321.337 -0.198 20 0 DBADRM CCCC(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001012194154 813023455 /nfs/dbraw/zinc/02/34/55/813023455.db2.gz OTIUCLRPSIRMDT-HTQZYQBOSA-N -1 0 309.326 -0.198 20 0 DBADRM CC(C)=CC(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001012232476 813025469 /nfs/dbraw/zinc/02/54/69/813025469.db2.gz AMAUBSGBOADOBF-ZJUUUORDSA-N -1 0 323.353 -0.239 20 0 DBADRM CC(C)=CC(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001012232472 813025937 /nfs/dbraw/zinc/02/59/37/813025937.db2.gz AMAUBSGBOADOBF-UWVGGRQHSA-N -1 0 323.353 -0.239 20 0 DBADRM CC(C)C(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001012307071 813034967 /nfs/dbraw/zinc/03/49/67/813034967.db2.gz DZNIQINALCMNGR-BDAKNGLRSA-N -1 0 311.342 -0.549 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)CC(N)=O)C2)c1[O-] ZINC001012406935 813049828 /nfs/dbraw/zinc/04/98/28/813049828.db2.gz IWPGKJKOZKRWET-HTRCEHHLSA-N -1 0 309.326 -0.982 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NC(=O)c3cnon3)C[C@@H]2C)c1[O-] ZINC001012495075 813060603 /nfs/dbraw/zinc/06/06/03/813060603.db2.gz NDGABZJTPSZLAT-POYBYMJQSA-N -1 0 320.309 -0.160 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C2CCC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013420440 813139541 /nfs/dbraw/zinc/13/95/41/813139541.db2.gz CTSMRMZMGPGKKY-VXNVDRBHSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C2CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013420224 813139550 /nfs/dbraw/zinc/13/95/50/813139550.db2.gz BZQRAVVNCWFOLR-SVRRBLITSA-N -1 0 307.310 -0.588 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)CC2CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013490426 813141667 /nfs/dbraw/zinc/14/16/67/813141667.db2.gz ZYMYVJMIYVATSH-SCZZXKLOSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C2(C)CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013487782 813141747 /nfs/dbraw/zinc/14/17/47/813141747.db2.gz NRRXAVYEVGJPRA-BDAKNGLRSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C2CCC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013492135 813141821 /nfs/dbraw/zinc/14/18/21/813141821.db2.gz NMQJHDITUSCBHJ-SCZZXKLOSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C2CC2)CN1C(=O)c1cnc([O-])n(C)c1=O ZINC001013546881 813148562 /nfs/dbraw/zinc/14/85/62/813148562.db2.gz CSVZEAVGNWBUHN-SCZZXKLOSA-N -1 0 320.349 -0.385 20 0 DBADRM CC(=O)NC1CC2(C1)CC(NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001013938418 813182030 /nfs/dbraw/zinc/18/20/30/813182030.db2.gz WGFPONGFFPBNNS-UHFFFAOYSA-N -1 0 309.326 -0.747 20 0 DBADRM CCC(=O)N1CC[C@]2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CCC[C@H]12 ZINC001014353269 813222266 /nfs/dbraw/zinc/22/22/66/813222266.db2.gz MMRWMUADWZPADI-LKFCYVNXSA-N -1 0 323.353 -0.261 20 0 DBADRM CCC(=O)N1CC[C@@]2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CCC[C@@H]12 ZINC001014353285 813222478 /nfs/dbraw/zinc/22/24/78/813222478.db2.gz MMRWMUADWZPADI-OTYXRUKQSA-N -1 0 323.353 -0.261 20 0 DBADRM CC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC001014606483 813273310 /nfs/dbraw/zinc/27/33/10/813273310.db2.gz XTZIJIMSUHFFCQ-LPEHRKFASA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1(F)CCOCC1 ZINC001014668333 813290478 /nfs/dbraw/zinc/29/04/78/813290478.db2.gz GLOZWFOSZRJAOM-SECBINFHSA-N -1 0 313.333 -0.281 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1(F)CCOCC1 ZINC001014668338 813290622 /nfs/dbraw/zinc/29/06/22/813290622.db2.gz GLOZWFOSZRJAOM-VIFPVBQESA-N -1 0 313.333 -0.281 20 0 DBADRM C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014788676 813310994 /nfs/dbraw/zinc/31/09/94/813310994.db2.gz KFGGUONWWNVZCA-QXEWZRGKSA-N -1 0 311.342 -0.995 20 0 DBADRM CCOc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001014890809 813331626 /nfs/dbraw/zinc/33/16/26/813331626.db2.gz WUAXBTXZMKDKFB-MRVPVSSYSA-N -1 0 321.341 -0.364 20 0 DBADRM COc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)ccn1 ZINC001015054421 813357956 /nfs/dbraw/zinc/35/79/56/813357956.db2.gz XKTCXAOWSPMCNY-JTQLQIEISA-N -1 0 318.337 -0.082 20 0 DBADRM CCc1n[nH]cc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015062170 813359656 /nfs/dbraw/zinc/35/96/56/813359656.db2.gz YCNDGUPPNFPKNM-MRVPVSSYSA-N -1 0 305.342 -0.200 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)ccc1=O ZINC001015069914 813363580 /nfs/dbraw/zinc/36/35/80/813363580.db2.gz JCUOKGLKPXOIQT-JTQLQIEISA-N -1 0 318.337 -0.787 20 0 DBADRM CCOc1nc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001015095618 813368440 /nfs/dbraw/zinc/36/84/40/813368440.db2.gz BPFYFZKJUWRAGV-QMMMGPOBSA-N -1 0 322.325 -0.099 20 0 DBADRM Cc1nocc1CN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015109133 813369157 /nfs/dbraw/zinc/36/91/57/813369157.db2.gz HLYMJFWQWDUCLU-VIFPVBQESA-N -1 0 320.309 -0.416 20 0 DBADRM Cc1cnc(CN2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001015110024 813370808 /nfs/dbraw/zinc/37/08/08/813370808.db2.gz PHCKXBWYWHWXKQ-MRVPVSSYSA-N -1 0 320.309 -0.416 20 0 DBADRM CC(=O)N1CCC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H]1C ZINC001015115638 813372495 /nfs/dbraw/zinc/37/24/95/813372495.db2.gz NEMNNYBDPJUQLL-KCJUWKMLSA-N -1 0 308.338 -0.385 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015197214 813388916 /nfs/dbraw/zinc/38/89/16/813388916.db2.gz XXXDSZMJWSZUBT-ZJUUUORDSA-N -1 0 322.369 -0.740 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001015199389 813389813 /nfs/dbraw/zinc/38/98/13/813389813.db2.gz BXXRUEGDFWWOIX-ZETCQYMHSA-N -1 0 320.309 -0.794 20 0 DBADRM COc1cnc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nc1 ZINC001015213490 813391223 /nfs/dbraw/zinc/39/12/23/813391223.db2.gz VOVYKOJHIHWXEB-MRVPVSSYSA-N -1 0 319.325 -0.687 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001015321808 813406511 /nfs/dbraw/zinc/40/65/11/813406511.db2.gz UFNMVLDAPSYRIH-JYMMUIJESA-N -1 0 319.365 -0.376 20 0 DBADRM NC(=O)c1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001015385929 813416772 /nfs/dbraw/zinc/41/67/72/813416772.db2.gz FPWOZLSGQDTQIN-QMMMGPOBSA-N -1 0 320.309 -0.794 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCNC(=O)CC1 ZINC001015405026 813419515 /nfs/dbraw/zinc/41/95/15/813419515.db2.gz UGZWJMDFFBFGQG-ZJUUUORDSA-N -1 0 322.369 -0.883 20 0 DBADRM COc1nc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001015412220 813421777 /nfs/dbraw/zinc/42/17/77/813421777.db2.gz JMPQPLXLOMVKSR-SSDOTTSWSA-N -1 0 308.298 -0.489 20 0 DBADRM CN1C(=O)CC[C@H]1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015493494 813435491 /nfs/dbraw/zinc/43/54/91/813435491.db2.gz PEWWZEBCYQRABX-UWVGGRQHSA-N -1 0 322.369 -0.788 20 0 DBADRM COc1ncc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001015937546 813567465 /nfs/dbraw/zinc/56/74/65/813567465.db2.gz GENYGOVDWVKLLT-SECBINFHSA-N -1 0 319.325 -0.687 20 0 DBADRM COc1ccc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001015947121 813570639 /nfs/dbraw/zinc/57/06/39/813570639.db2.gz JEUMQQMJBAFJPZ-MRVPVSSYSA-N -1 0 319.325 -0.687 20 0 DBADRM CNC(=O)CN1CC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001015988817 813582461 /nfs/dbraw/zinc/58/24/61/813582461.db2.gz FXUVMCVGEQFGHT-MRVPVSSYSA-N -1 0 319.321 -0.522 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016044898 813594810 /nfs/dbraw/zinc/59/48/10/813594810.db2.gz IGOGYTZXPYBQCC-QWRGUYRKSA-N -1 0 322.369 -0.788 20 0 DBADRM Cc1ncoc1CN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016111746 813599684 /nfs/dbraw/zinc/59/96/84/813599684.db2.gz UAQJXAYNXODGLE-VIFPVBQESA-N -1 0 322.325 -0.624 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016142440 813607766 /nfs/dbraw/zinc/60/77/66/813607766.db2.gz UOKCITZZOPEWKZ-UWVGGRQHSA-N -1 0 322.369 -0.788 20 0 DBADRM CN(C(=O)C1CC1)C1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001016150307 813609609 /nfs/dbraw/zinc/60/96/09/813609609.db2.gz KHIXMLMXQPOXFL-UHFFFAOYSA-N -1 0 307.310 -0.588 20 0 DBADRM Cc1nccn1CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016259676 813632410 /nfs/dbraw/zinc/63/24/10/813632410.db2.gz JIZDCFUJSLAFKI-SNVBAGLBSA-N -1 0 305.342 -0.594 20 0 DBADRM CC(C)C(=O)N(C)C1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001016265258 813634841 /nfs/dbraw/zinc/63/48/41/813634841.db2.gz HXZLVRDJGYRNBK-UHFFFAOYSA-N -1 0 309.326 -0.342 20 0 DBADRM CN(C(=O)C1(C)CC1)C1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016606713 813697156 /nfs/dbraw/zinc/69/71/56/813697156.db2.gz RWTSJCGIZXQKBD-UHFFFAOYSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016819730 813725508 /nfs/dbraw/zinc/72/55/08/813725508.db2.gz KXEBSCFCJIUXPE-SEZDTBSWSA-N -1 0 323.353 -0.549 20 0 DBADRM CC(C)C(=O)NC1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001016828073 813727649 /nfs/dbraw/zinc/72/76/49/813727649.db2.gz WNNPVIMRKHCQCV-UHFFFAOYSA-N -1 0 322.365 -0.139 20 0 DBADRM O=C(N[C@@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2)c1nnc[nH]1 ZINC001016886039 813737071 /nfs/dbraw/zinc/73/70/71/813737071.db2.gz YRULZXBTNPSUPN-MRVPVSSYSA-N -1 0 318.341 -0.587 20 0 DBADRM CC(=O)N[C@H]1CC[C@@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001017878603 813846680 /nfs/dbraw/zinc/84/66/80/813846680.db2.gz YDPPTHMELUJBEN-SCZZXKLOSA-N -1 0 308.338 -0.385 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)C2CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001017890550 813847068 /nfs/dbraw/zinc/84/70/68/813847068.db2.gz MOLFBEDZCUKSLM-APPZFPTMSA-N -1 0 321.337 -0.198 20 0 DBADRM COCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001018219401 813875536 /nfs/dbraw/zinc/87/55/36/813875536.db2.gz OPUYMTRZBBSQLZ-AOOOYVTPSA-N -1 0 311.342 -0.989 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CC[C@@H]1C ZINC001018307010 813888107 /nfs/dbraw/zinc/88/81/07/813888107.db2.gz JZLVNNWQTQHWEY-WPRPVWTQSA-N -1 0 308.338 -0.385 20 0 DBADRM CCCC(=O)N1CC2(C1)CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001018697950 813963445 /nfs/dbraw/zinc/96/34/45/813963445.db2.gz CDIPTZJTCUEPEE-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM Cc1ccoc1CC(=O)N1CC[C@H](NCc2nc(=O)n(C)[nH]2)C1 ZINC001019354596 814134933 /nfs/dbraw/zinc/13/49/33/814134933.db2.gz KOYWFLQQIWWGDD-NSHDSACASA-N -1 0 319.365 -0.057 20 0 DBADRM CCc1ncncc1C(=O)N1CC[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001019783536 814233915 /nfs/dbraw/zinc/23/39/15/814233915.db2.gz CBBGTHWJCCIOAF-VIFPVBQESA-N -1 0 317.353 -0.133 20 0 DBADRM Cc1ccc(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001033072831 814405217 /nfs/dbraw/zinc/40/52/17/814405217.db2.gz WNDAIKVNRNHUEB-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM CN(C(=O)[C@H]1CC(=O)N(C)C1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033124718 814419003 /nfs/dbraw/zinc/41/90/03/814419003.db2.gz QFBIOWKQSUCXNW-UWVGGRQHSA-N -1 0 322.369 -0.979 20 0 DBADRM CN(C(=O)[C@H]1CCCNC1=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033171527 814436335 /nfs/dbraw/zinc/43/63/35/814436335.db2.gz ZGCBKTAEOLAADL-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C(=O)c1cnc[nH]c1=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033179674 814438256 /nfs/dbraw/zinc/43/82/56/814438256.db2.gz ZEEQIQDZVINHSB-QMMMGPOBSA-N -1 0 319.325 -0.648 20 0 DBADRM CN(C(=O)c1csnn1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033311682 814469036 /nfs/dbraw/zinc/46/90/36/814469036.db2.gz HBFKDCTVRMPKDU-SSDOTTSWSA-N -1 0 309.355 -0.292 20 0 DBADRM CN(C(=O)Cc1cnoc1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033352516 814485238 /nfs/dbraw/zinc/48/52/38/814485238.db2.gz HQYHYTTUDKUCAI-JTQLQIEISA-N -1 0 306.326 -0.226 20 0 DBADRM CN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@H]1CCN(CC(N)=O)C1 ZINC001033584040 814549206 /nfs/dbraw/zinc/54/92/06/814549206.db2.gz URWSNHRKHVGDAG-QMMMGPOBSA-N -1 0 319.321 -0.440 20 0 DBADRM CCN(C(=O)c1cn(C)cn1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033798083 814586628 /nfs/dbraw/zinc/58/66/28/814586628.db2.gz ISQXIMVPRQXURF-JTQLQIEISA-N -1 0 319.369 -0.020 20 0 DBADRM CCN(C(=O)c1ccn(C)n1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034043558 814627180 /nfs/dbraw/zinc/62/71/80/814627180.db2.gz CNHFMTGJKPYPPS-SNVBAGLBSA-N -1 0 319.369 -0.020 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CCCCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001034196304 814646683 /nfs/dbraw/zinc/64/66/83/814646683.db2.gz YKYYHZACONECBD-VIFPVBQESA-N -1 0 320.357 -0.577 20 0 DBADRM O=C(N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCNC1=O ZINC001034345215 814666901 /nfs/dbraw/zinc/66/69/01/814666901.db2.gz NJUVHGPXXRNPIL-VHSXEESVSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2n[nH]c(=O)[n-]2)c1[O-] ZINC001034908813 814742284 /nfs/dbraw/zinc/74/22/84/814742284.db2.gz QBWGZXSVECLHNB-MRVPVSSYSA-N -1 0 321.341 -0.358 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ccc[nH]1 ZINC001035284596 814877079 /nfs/dbraw/zinc/87/70/79/814877079.db2.gz JVEBHFBHZDDGIW-VIFPVBQESA-N -1 0 306.326 -0.531 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)[nH]n1 ZINC001035299389 814881754 /nfs/dbraw/zinc/88/17/54/814881754.db2.gz CJXIIIPEFWTVTQ-VIFPVBQESA-N -1 0 321.341 -0.827 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)C1=COCCC1 ZINC001035309330 814887227 /nfs/dbraw/zinc/88/72/27/814887227.db2.gz ISXFOFXMMIKKQG-NSHDSACASA-N -1 0 323.353 -0.478 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001035329488 814895212 /nfs/dbraw/zinc/89/52/12/814895212.db2.gz GNCSSJIXAMOVKO-DCQANWLSSA-N -1 0 321.381 -0.127 20 0 DBADRM CO[C@H](C)CN1CCO[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001035344861 814899940 /nfs/dbraw/zinc/89/99/40/814899940.db2.gz XXVOETKRTYKPFX-MWLCHTKSSA-N -1 0 312.370 -0.111 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@@H]1CC1(F)F ZINC001035358542 814904689 /nfs/dbraw/zinc/90/46/89/814904689.db2.gz NNLXHGLJGXXQSA-SFYZADRCSA-N -1 0 317.296 -0.518 20 0 DBADRM Cc1c[nH]nc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035364862 814907924 /nfs/dbraw/zinc/90/79/24/814907924.db2.gz LOYNJTZGPMBNIM-VIFPVBQESA-N -1 0 321.341 -0.827 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ccns1 ZINC001035391461 814916514 /nfs/dbraw/zinc/91/65/14/814916514.db2.gz PREWAVHTDSHCNY-MRVPVSSYSA-N -1 0 324.366 -0.402 20 0 DBADRM O=C(c1cc[nH]n1)N1CC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001041957268 815781174 /nfs/dbraw/zinc/78/11/74/815781174.db2.gz FMEGTSOJBGCWSY-GXSJLCMTSA-N -1 0 317.353 -0.030 20 0 DBADRM O=C(c1cnon1)N1CC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001042278963 815876364 /nfs/dbraw/zinc/87/63/64/815876364.db2.gz CINONLJSFZPQHN-WCBMZHEXSA-N -1 0 319.325 -0.370 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)/C=C/C3CC3)C2)c1[O-] ZINC001042312200 815882544 /nfs/dbraw/zinc/88/25/44/815882544.db2.gz KKBRKAZZEQQDNK-SNAWJCMRSA-N -1 0 320.349 -0.307 20 0 DBADRM C/C=C(/C)C(=O)N1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001042573287 815956070 /nfs/dbraw/zinc/95/60/70/815956070.db2.gz YOMCYYMXPJWDNR-YWEYNIOJSA-N -1 0 308.338 -0.307 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)[C@H](C)C3CC3)C2)c1[O-] ZINC001042571928 815956638 /nfs/dbraw/zinc/95/66/38/815956638.db2.gz BQMDRBPLHURDQB-MRVPVSSYSA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)c3cnco3)C2)c1[O-] ZINC001042580126 815959025 /nfs/dbraw/zinc/95/90/25/815959025.db2.gz KUXYEGJNHPMDEU-UHFFFAOYSA-N -1 0 321.293 -0.971 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)C3(C)CC3)C2)c1[O-] ZINC001042580311 815959062 /nfs/dbraw/zinc/95/90/62/815959062.db2.gz NDCFPIXRFLZGHS-UHFFFAOYSA-N -1 0 308.338 -0.473 20 0 DBADRM CCn1ncnc1CN1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001042619452 815970091 /nfs/dbraw/zinc/97/00/91/815970091.db2.gz DUHCXMMKWPBJIV-UHFFFAOYSA-N -1 0 319.369 -0.008 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(CC(=O)N3CCC3)C2)c1[O-] ZINC001042619464 815970175 /nfs/dbraw/zinc/97/01/75/815970175.db2.gz FHWWTGPOGNJZKJ-UHFFFAOYSA-N -1 0 307.354 -0.588 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(Cc3ncnn3C)C2)c1[O-] ZINC001042619463 815970363 /nfs/dbraw/zinc/97/03/63/815970363.db2.gz FGEZEITWTHDMNY-UHFFFAOYSA-N -1 0 305.342 -0.491 20 0 DBADRM CN(C(=O)C[C@H]1CCC(=O)NC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042898291 816057499 /nfs/dbraw/zinc/05/74/99/816057499.db2.gz ZCDXPTIXVCUQRC-SECBINFHSA-N -1 0 322.369 -0.931 20 0 DBADRM CO[C@H]1CCC[C@H]1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043143876 816127682 /nfs/dbraw/zinc/12/76/82/816127682.db2.gz PMESADFOXRXMQO-MNOVXSKESA-N -1 0 309.370 -0.032 20 0 DBADRM CO[C@@H]1CC[C@H](C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001043149627 816128615 /nfs/dbraw/zinc/12/86/15/816128615.db2.gz GSCUXYANELPMTF-GXSJLCMTSA-N -1 0 309.370 -0.032 20 0 DBADRM CC[C@@H](CN1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1)OC ZINC001043230895 816149786 /nfs/dbraw/zinc/14/97/86/816149786.db2.gz HQGBEAHJUFETBH-VIFPVBQESA-N -1 0 311.342 -0.536 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(CCOC2CCC2)C1 ZINC001043230751 816149891 /nfs/dbraw/zinc/14/98/91/816149891.db2.gz AFPRTOVCMUXORM-UHFFFAOYSA-N -1 0 323.353 -0.392 20 0 DBADRM CN(C(=O)[C@H]1CCNC(=O)CC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043471546 816197406 /nfs/dbraw/zinc/19/74/06/816197406.db2.gz ZASIIFPHKLNMIB-SECBINFHSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C(=O)[C@@H]1CCNC(=O)CC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043471547 816197867 /nfs/dbraw/zinc/19/78/67/816197867.db2.gz ZASIIFPHKLNMIB-VIFPVBQESA-N -1 0 322.369 -0.931 20 0 DBADRM COc1nc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001043483136 816201530 /nfs/dbraw/zinc/20/15/30/816201530.db2.gz PVVGRIKMUYKLEX-UHFFFAOYSA-N -1 0 308.298 -0.537 20 0 DBADRM COc1ccnc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001043507640 816207027 /nfs/dbraw/zinc/20/70/27/816207027.db2.gz WWDJBASDEMILSX-UHFFFAOYSA-N -1 0 318.337 -0.130 20 0 DBADRM CN(C(=O)Cc1ncccc1F)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043651360 816243358 /nfs/dbraw/zinc/24/33/58/816243358.db2.gz KBSHXUNANIYMSB-UHFFFAOYSA-N -1 0 320.328 -0.070 20 0 DBADRM C[C@@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001043940453 816322779 /nfs/dbraw/zinc/32/27/79/816322779.db2.gz XIKGZXDMYHUOHH-PSASIEDQSA-N -1 0 322.369 -0.932 20 0 DBADRM CN(C(=O)c1n[n-]c2ccccc2c1=O)C1CN(CC(N)=O)C1 ZINC001043992999 816330440 /nfs/dbraw/zinc/33/04/40/816330440.db2.gz UYRDRCOXQDFKIM-UHFFFAOYSA-N -1 0 315.333 -0.423 20 0 DBADRM Cc1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nc(C)n1 ZINC001044044538 816342973 /nfs/dbraw/zinc/34/29/73/816342973.db2.gz BREVVPFMZSGSJG-UHFFFAOYSA-N -1 0 317.353 -0.126 20 0 DBADRM Cc1ncc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)c(C)n1 ZINC001044061292 816346483 /nfs/dbraw/zinc/34/64/83/816346483.db2.gz BKWFDVSHIGSEFP-UHFFFAOYSA-N -1 0 317.353 -0.126 20 0 DBADRM Cc1cc(=O)c(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)c[nH]1 ZINC001044134787 816368456 /nfs/dbraw/zinc/36/84/56/816368456.db2.gz ZCRJNYYTARYNTP-UHFFFAOYSA-N -1 0 318.337 -0.537 20 0 DBADRM CN(C(=O)[C@H]1C[C@]12CCOC2)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044155354 816373854 /nfs/dbraw/zinc/37/38/54/816373854.db2.gz TWHMGVDVSKJDLP-YGRLFVJLSA-N -1 0 307.354 -0.421 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(Cc2nccs2)C1 ZINC001044231622 816388205 /nfs/dbraw/zinc/38/82/05/816388205.db2.gz VTWJGSLHUJPRMH-UHFFFAOYSA-N -1 0 324.366 -0.511 20 0 DBADRM Cc1ncoc1CN1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001044236349 816389043 /nfs/dbraw/zinc/38/90/43/816389043.db2.gz LJPWSXCDDSGTDV-UHFFFAOYSA-N -1 0 322.325 -0.671 20 0 DBADRM C[C@H](F)CCN1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001044236139 816389357 /nfs/dbraw/zinc/38/93/57/816389357.db2.gz JVMUGGXXEDTPKS-QMMMGPOBSA-N -1 0 301.322 -0.420 20 0 DBADRM CC1(NC(=O)C2=COCCO2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001045356620 816620727 /nfs/dbraw/zinc/62/07/27/816620727.db2.gz XRZVHPSOGNGHBD-UHFFFAOYSA-N -1 0 323.353 -0.131 20 0 DBADRM CC1(NC(=O)[C@H]2CCC(=O)N2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001045389580 816625017 /nfs/dbraw/zinc/62/50/17/816625017.db2.gz JAXLAVHWANYOSL-SECBINFHSA-N -1 0 322.369 -0.740 20 0 DBADRM Cn1cc(C(=O)NC2(C)CCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC001045430196 816631679 /nfs/dbraw/zinc/63/16/79/816631679.db2.gz QNVFYUKQGTVKGB-UHFFFAOYSA-N -1 0 320.357 -0.577 20 0 DBADRM C[C@@]1(NC(=O)c2nccnc2N)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046202991 816780160 /nfs/dbraw/zinc/78/01/60/816780160.db2.gz AIGIJIRNUQFGHJ-CYBMUJFWSA-N -1 0 318.341 -0.723 20 0 DBADRM Cc1c(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)nnn1C ZINC001046204625 816781372 /nfs/dbraw/zinc/78/13/72/816781372.db2.gz FLPSBVOMUHNMOM-CYBMUJFWSA-N -1 0 320.357 -0.658 20 0 DBADRM C[C@@]1(NC(=O)[C@H]2CCNC(=O)C2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046235594 816788534 /nfs/dbraw/zinc/78/85/34/816788534.db2.gz IGBFPWOEEGDMGW-LKFCYVNXSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN(CC(=O)NC3CC3)C2)c1[O-] ZINC001046247072 816792493 /nfs/dbraw/zinc/79/24/93/816792493.db2.gz WFJWJWFHLZPELI-OAHLLOKOSA-N -1 0 321.381 -0.103 20 0 DBADRM Cn1cc(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]c1=O ZINC001046594973 816902458 /nfs/dbraw/zinc/90/24/58/816902458.db2.gz TWBGGXAXIRUTON-ZDUSSCGKSA-N -1 0 321.341 -0.656 20 0 DBADRM C[C@@]1(NC(=O)c2ccnnc2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046654511 816913182 /nfs/dbraw/zinc/91/31/82/816913182.db2.gz HSPMNFIYSVYWFS-CYBMUJFWSA-N -1 0 303.326 -0.305 20 0 DBADRM C[C@@]1(NC(=O)c2ccc3oc(=O)nc-3[n-]2)CCN(CC(N)=O)C1 ZINC001046768809 816943742 /nfs/dbraw/zinc/94/37/42/816943742.db2.gz HBLSGGHIWSHOCI-CQSZACIVSA-N -1 0 319.321 -0.392 20 0 DBADRM Cn1ccc(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001046838822 816959761 /nfs/dbraw/zinc/95/97/61/816959761.db2.gz LYGXBMHENOWMMZ-CYBMUJFWSA-N -1 0 305.342 -0.362 20 0 DBADRM Cc1nc[nH]c1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046877555 816967255 /nfs/dbraw/zinc/96/72/55/816967255.db2.gz VWEMVKXSCKUIKL-ZDUSSCGKSA-N -1 0 305.342 -0.064 20 0 DBADRM Cc1[nH]ccc1C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047339535 817075164 /nfs/dbraw/zinc/07/51/64/817075164.db2.gz SCPUGRCQBFPMSH-QWRGUYRKSA-N -1 0 320.353 -0.536 20 0 DBADRM CN(C(=O)[C@H]1CC1(F)F)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047375877 817095541 /nfs/dbraw/zinc/09/55/41/817095541.db2.gz KHBMNOZHHXBSPV-CSMHCCOUSA-N -1 0 317.296 -0.831 20 0 DBADRM Cc1coc(C(=O)N(C)[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1 ZINC001047495423 817167277 /nfs/dbraw/zinc/16/72/77/817167277.db2.gz FHUGXIKOHLZGME-UWVGGRQHSA-N -1 0 321.337 -0.271 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047533468 817188635 /nfs/dbraw/zinc/18/86/35/817188635.db2.gz QBTYYIUFSIKEMI-ZNSHCXBVSA-N -1 0 309.370 -0.440 20 0 DBADRM Cn1cnc(C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)c1 ZINC001048764824 817428584 /nfs/dbraw/zinc/42/85/84/817428584.db2.gz QYGURMUPOWZMMQ-AOOOYVTPSA-N -1 0 317.353 -0.552 20 0 DBADRM O=C([C@H]1CCCCO1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048767577 817429309 /nfs/dbraw/zinc/42/93/09/817429309.db2.gz CXJQWADFOOBAOK-GRYCIOLGSA-N -1 0 321.381 -0.030 20 0 DBADRM O=C(Cn1ccnc1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001049248407 817571974 /nfs/dbraw/zinc/57/19/74/817571974.db2.gz XPQARACRLNUYSK-PHIMTYICSA-N -1 0 317.353 -0.703 20 0 DBADRM CNC(=O)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1n[nH]c(C)c1[O-] ZINC001049424147 817591264 /nfs/dbraw/zinc/59/12/64/817591264.db2.gz ZVWGSJDTSKZFCA-WDEREUQCSA-N -1 0 321.381 -0.151 20 0 DBADRM CCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001049639862 817619461 /nfs/dbraw/zinc/61/94/61/817619461.db2.gz RUJRIMLSXRJYHE-RKDXNWHRSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C([C@H]1CCOC1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001050452345 817716556 /nfs/dbraw/zinc/71/65/56/817716556.db2.gz LEMKCFVAEDNFFE-NSHDSACASA-N -1 0 321.381 -0.029 20 0 DBADRM CO[C@H](C)C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001050451952 817716674 /nfs/dbraw/zinc/71/66/74/817716674.db2.gz XMAAGVGONYPLHH-SNVBAGLBSA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ccoc1 ZINC001050814266 817764304 /nfs/dbraw/zinc/76/43/04/817764304.db2.gz DYQQWKSCWUADRG-SNVBAGLBSA-N -1 0 307.310 -0.266 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)C1=COCCC1 ZINC001050846876 817775693 /nfs/dbraw/zinc/77/56/93/817775693.db2.gz ZQPNQPNLJOBAMI-LLVKDONJSA-N -1 0 323.353 -0.478 20 0 DBADRM CC1CC(C(=O)NC[C@@H]2COCCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001050864849 817780972 /nfs/dbraw/zinc/78/09/72/817780972.db2.gz DBAGNUPOOFWTBI-VQXHTEKXSA-N -1 0 309.370 -0.127 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1cc[nH]c1 ZINC001050929943 817795309 /nfs/dbraw/zinc/79/53/09/817795309.db2.gz QQNZYWAWUXTITE-JTQLQIEISA-N -1 0 306.326 -0.531 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1cc[nH]c1 ZINC001050929944 817795526 /nfs/dbraw/zinc/79/55/26/817795526.db2.gz QQNZYWAWUXTITE-SNVBAGLBSA-N -1 0 306.326 -0.531 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ccsn1 ZINC001050975715 817809600 /nfs/dbraw/zinc/80/96/00/817809600.db2.gz LMOAIUMFFXZSMB-MRVPVSSYSA-N -1 0 324.366 -0.402 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1cnco1 ZINC001051049544 817831232 /nfs/dbraw/zinc/83/12/32/817831232.db2.gz OFMUTHVABYUXQZ-QMMMGPOBSA-N -1 0 308.298 -0.871 20 0 DBADRM CC(C)CN1CCOC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC001051062914 817835577 /nfs/dbraw/zinc/83/55/77/817835577.db2.gz PDJPVMCVFWEKHL-NSHDSACASA-N -1 0 324.381 -0.428 20 0 DBADRM Cc1conc1C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001051197193 817874264 /nfs/dbraw/zinc/87/42/64/817874264.db2.gz KQFZCUCWJOCXFD-SECBINFHSA-N -1 0 322.325 -0.562 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1COC2(CN(CC3CC3)C2)C1 ZINC001053993783 818064008 /nfs/dbraw/zinc/06/40/08/818064008.db2.gz URDBQWCFNUQWSP-JTQLQIEISA-N -1 0 323.353 -0.941 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@]3(CCN(CC(N)=O)C3)C2)c1[O-] ZINC001054117576 818082617 /nfs/dbraw/zinc/08/26/17/818082617.db2.gz QSMPOHKSAIFYFQ-HNNXBMFYSA-N -1 0 321.381 -0.163 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](NCc3cnn(C)n3)C2)c1[O-] ZINC001054572050 818142466 /nfs/dbraw/zinc/14/24/66/818142466.db2.gz LOWFAZKUIHWVDD-KCJUWKMLSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NCc3cn(C)nn3)[C@@H](C)C2)c1[O-] ZINC001054572424 818142488 /nfs/dbraw/zinc/14/24/88/818142488.db2.gz MVDKMVFLAGHQCR-KWQFWETISA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1ccc(N2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)nn1 ZINC001055870242 818323453 /nfs/dbraw/zinc/32/34/53/818323453.db2.gz UHHOJMUETBJPPG-UHFFFAOYSA-N -1 0 319.325 -0.863 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(CO)CCCN(C(=O)C3CC3)C2)c1[O-] ZINC001055887901 818325870 /nfs/dbraw/zinc/32/58/70/818325870.db2.gz PJBYZMSIEXWTNS-OAHLLOKOSA-N -1 0 322.365 -0.083 20 0 DBADRM CC(=O)N(CCO)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001056728510 818439519 /nfs/dbraw/zinc/43/95/19/818439519.db2.gz BDSCCENIHWPFGP-UHFFFAOYSA-N -1 0 308.294 -0.501 20 0 DBADRM Cc1nccc(N[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001056823802 818491948 /nfs/dbraw/zinc/49/19/48/818491948.db2.gz XGUIWZFVLCNXFU-MRVPVSSYSA-N -1 0 317.309 -0.292 20 0 DBADRM CC(C)=CC(=O)N(CCO)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001056870649 818510113 /nfs/dbraw/zinc/51/01/13/818510113.db2.gz JPMDJZRNQFBKSB-UHFFFAOYSA-N -1 0 310.354 -0.059 20 0 DBADRM CSCC(=O)N(CCO)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001056900018 818523515 /nfs/dbraw/zinc/52/35/15/818523515.db2.gz SLGWSYBENKMYLD-UHFFFAOYSA-N -1 0 316.383 -0.663 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)c2ccoc2)c1[O-] ZINC001056960924 818540119 /nfs/dbraw/zinc/54/01/19/818540119.db2.gz SWXBJZFBHKRORS-UHFFFAOYSA-N -1 0 322.321 -0.119 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)c2cc[nH]n2)c1[O-] ZINC001057045322 818565019 /nfs/dbraw/zinc/56/50/19/818565019.db2.gz SAQWBVWBXXMJTF-UHFFFAOYSA-N -1 0 322.325 -0.989 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)CC2CC2)c1[O-] ZINC001057354360 818697229 /nfs/dbraw/zinc/69/72/29/818697229.db2.gz VHALUBRNISRZMJ-UHFFFAOYSA-N -1 0 310.354 -0.225 20 0 DBADRM CC[C@H](F)C(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057354186 818697416 /nfs/dbraw/zinc/69/74/16/818697416.db2.gz PIKYSZIWIILEON-VIFPVBQESA-N -1 0 316.333 -0.277 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)c2ccn[nH]2)c1[O-] ZINC001057353965 818697465 /nfs/dbraw/zinc/69/74/65/818697465.db2.gz IXJXMSDZGMUIDZ-UHFFFAOYSA-N -1 0 322.325 -0.989 20 0 DBADRM C/C=C(/C)C(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057354105 818697514 /nfs/dbraw/zinc/69/75/14/818697514.db2.gz MTFITIGYPXTCQH-WTKPLQERSA-N -1 0 310.354 -0.059 20 0 DBADRM O=C(N[C@H]1CCN(c2cnc(F)cn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001058603579 819005406 /nfs/dbraw/zinc/00/54/06/819005406.db2.gz BOMBPYBAMPCPSC-LURJTMIESA-N -1 0 321.272 -0.779 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)ncn1 ZINC001058604440 819005446 /nfs/dbraw/zinc/00/54/46/819005446.db2.gz YOSWDWBMCGVZOC-QMMMGPOBSA-N -1 0 317.309 -0.610 20 0 DBADRM O=C(N[C@@H]1CCN(c2nccnc2F)C1)c1n[nH]c(=O)[n-]c1=O ZINC001058604236 819005491 /nfs/dbraw/zinc/00/54/91/819005491.db2.gz TUEJSBDSOXYXPB-ZCFIWIBFSA-N -1 0 321.272 -0.779 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](Nc2ncc(F)cn2)C1 ZINC001058936671 819081486 /nfs/dbraw/zinc/08/14/86/819081486.db2.gz UXPAUQYMYSRMAS-QMMMGPOBSA-N -1 0 323.288 -0.669 20 0 DBADRM Cc1nsc(N[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001059468685 819146940 /nfs/dbraw/zinc/14/69/40/819146940.db2.gz PKBWZYHKNCQXOT-IZLXSQMJSA-N -1 0 323.338 -0.184 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](Nc2ncc(F)cn2)C1 ZINC001059689550 819167514 /nfs/dbraw/zinc/16/75/14/819167514.db2.gz QXJINGIMRJRVET-OCAPTIKFSA-N -1 0 323.288 -0.622 20 0 DBADRM O=C(N[C@H]1C[C@@H](Nc2cnc(F)cn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001059882517 819183800 /nfs/dbraw/zinc/18/38/00/819183800.db2.gz QFQWWJZOXIGNOU-OLQVQODUSA-N -1 0 321.272 -0.415 20 0 DBADRM O=C(NC[C@@H]1CCCN1c1ncccn1)c1n[nH]c(=O)[n-]c1=O ZINC001061487695 819338866 /nfs/dbraw/zinc/33/88/66/819338866.db2.gz OUXCOGPPEMWLGN-QMMMGPOBSA-N -1 0 317.309 -0.528 20 0 DBADRM CCC(=O)NCC1(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001062368345 819472983 /nfs/dbraw/zinc/47/29/83/819472983.db2.gz XNQDHMJHHIBGAD-UHFFFAOYSA-N -1 0 323.353 -0.220 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001062437617 819484266 /nfs/dbraw/zinc/48/42/66/819484266.db2.gz GQHAAQBHOODXKD-BDAKNGLRSA-N -1 0 323.353 -0.500 20 0 DBADRM O=C(CC1CC1)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001063788634 819638426 /nfs/dbraw/zinc/63/84/26/819638426.db2.gz QEUMGWVHBUYWRK-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(NC(=O)C(F)F)CCC1 ZINC001063866033 819641450 /nfs/dbraw/zinc/64/14/50/819641450.db2.gz SNWLQZUEQCNZRS-UHFFFAOYSA-N -1 0 319.268 -0.891 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CN(c3ncccn3)C[C@@H]2O)c1[O-] ZINC001065586434 819924926 /nfs/dbraw/zinc/92/49/26/819924926.db2.gz FKSMGGYTGFIMFZ-UWVGGRQHSA-N -1 0 318.337 -0.465 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](NC(=O)CC(N)=O)CC2)c1[O-] ZINC001066008675 819974703 /nfs/dbraw/zinc/97/47/03/819974703.db2.gz QUHRHSDVJRKQOL-SECBINFHSA-N -1 0 323.353 -0.590 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N(C)CCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001066704743 820036514 /nfs/dbraw/zinc/03/65/14/820036514.db2.gz RAVLSMPWYWAYAM-BDAKNGLRSA-N -1 0 323.353 -0.141 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCCN(C)C(=O)CC(N)=O)c1[O-] ZINC001067045215 820068395 /nfs/dbraw/zinc/06/83/95/820068395.db2.gz BIBPPLAAEDZYON-UHFFFAOYSA-N -1 0 311.342 -0.780 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCCN(C)C(=O)c2nc[nH]n2)c1[O-] ZINC001067199882 820078091 /nfs/dbraw/zinc/07/80/91/820078091.db2.gz RUBXRBBDGAKMGP-UHFFFAOYSA-N -1 0 321.341 -0.224 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(c3ncccn3)C[C@H]2O)c1[O-] ZINC001067667757 820115478 /nfs/dbraw/zinc/11/54/78/820115478.db2.gz PJEFLLRAIMPALZ-NXEZZACHSA-N -1 0 318.337 -0.559 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(c3ncccn3)C[C@@H]2O)c1[O-] ZINC001067667758 820115639 /nfs/dbraw/zinc/11/56/39/820115639.db2.gz PJEFLLRAIMPALZ-UWVGGRQHSA-N -1 0 318.337 -0.559 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1)C1CC1 ZINC001069886942 820325409 /nfs/dbraw/zinc/32/54/09/820325409.db2.gz ZXJABJNOFVEZDK-ZJUUUORDSA-N -1 0 318.341 -0.947 20 0 DBADRM CC(C)C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070143647 820406296 /nfs/dbraw/zinc/40/62/96/820406296.db2.gz PWTZWOLQHDOUOV-ZJUUUORDSA-N -1 0 320.357 -0.701 20 0 DBADRM CC[N@@H+]1C[C@@H](OC)C[C@H]1c1nnc(CNC(=O)c2cnn[n-]2)[n-]1 ZINC001070359098 820451543 /nfs/dbraw/zinc/45/15/43/820451543.db2.gz JHHANORTCMCKHM-WPRPVWTQSA-N -1 0 320.357 -0.366 20 0 DBADRM CNC(=O)CC(=O)N1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001070650815 820520631 /nfs/dbraw/zinc/52/06/31/820520631.db2.gz SFFAAHRKFQVFJB-SECBINFHSA-N -1 0 323.353 -0.719 20 0 DBADRM CC(=O)NCc1nc([C@H]2C[C@H](F)CN2Cc2n[nH]c(=O)[n-]2)n[nH]1 ZINC001070726156 820536147 /nfs/dbraw/zinc/53/61/47/820536147.db2.gz LSDYAKNEFWLXLV-JGVFFNPUSA-N -1 0 324.320 -0.450 20 0 DBADRM CC(=O)N1CCC[C@@H](N2CCN(Cc3n[nH]c(=O)[n-]3)CC2=O)C1 ZINC001071248934 820660299 /nfs/dbraw/zinc/66/02/99/820660299.db2.gz WAYHVQASCYEVKP-LLVKDONJSA-N -1 0 322.369 -0.835 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)Cc2cc[nH]n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071402625 820678349 /nfs/dbraw/zinc/67/83/49/820678349.db2.gz VCJCISSZLLKCCN-ONGXEEELSA-N -1 0 319.369 -0.055 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC001071426217 820681478 /nfs/dbraw/zinc/68/14/78/820681478.db2.gz UNUIDDZMQPGZNA-XVKPBYJWSA-N -1 0 309.326 -0.802 20 0 DBADRM CNC(=O)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CC[C@@H]1C ZINC001071434314 820683500 /nfs/dbraw/zinc/68/35/00/820683500.db2.gz DZCNYOCPQRGJQY-WPRPVWTQSA-N -1 0 309.370 -0.248 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)c2cn(C)nn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071487741 820695967 /nfs/dbraw/zinc/69/59/67/820695967.db2.gz NFEFSZWSHGAIHR-BDAKNGLRSA-N -1 0 320.357 -0.578 20 0 DBADRM CNC(=O)CC(=O)N[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1C ZINC001071909152 820805069 /nfs/dbraw/zinc/80/50/69/820805069.db2.gz HTWSPEWDNLPYLC-CBAPKCEASA-N -1 0 323.353 -0.863 20 0 DBADRM CC(=O)N[C@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001072362032 820908821 /nfs/dbraw/zinc/90/88/21/820908821.db2.gz KMEKJNDFSLDTKQ-WPRPVWTQSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(C)CC(=O)N[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001072452246 820921942 /nfs/dbraw/zinc/92/19/42/820921942.db2.gz AHTHTORIAJSHQJ-BDAKNGLRSA-N -1 0 323.353 -0.094 20 0 DBADRM CCCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001072452307 820923635 /nfs/dbraw/zinc/92/36/35/820923635.db2.gz AZZKDGGISFPRNH-JGVFFNPUSA-N -1 0 309.326 -0.340 20 0 DBADRM Cn1nccc1C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072535921 820945397 /nfs/dbraw/zinc/94/53/97/820945397.db2.gz KFZLGJFWBMPOEV-UHFFFAOYSA-N -1 0 317.353 -0.408 20 0 DBADRM O=C(Cc1cc[nH]n1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072572972 820955965 /nfs/dbraw/zinc/95/59/65/820955965.db2.gz UGHHQVRIWGPESM-UHFFFAOYSA-N -1 0 317.353 -0.490 20 0 DBADRM CCC(=O)N1CCC(C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001072803024 821015312 /nfs/dbraw/zinc/01/53/12/821015312.db2.gz YSEQSAKBBJMZCX-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM O=C(c1n[nH]cc1F)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072958860 821058209 /nfs/dbraw/zinc/05/82/09/821058209.db2.gz XDQDNZNLHNBWLU-UHFFFAOYSA-N -1 0 321.316 -0.279 20 0 DBADRM Cn1ccc(C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)n1 ZINC001073431090 821130589 /nfs/dbraw/zinc/13/05/89/821130589.db2.gz RRZJTDJJYBWNQG-UHFFFAOYSA-N -1 0 317.353 -0.408 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1ccon1 ZINC001073541691 821152326 /nfs/dbraw/zinc/15/23/26/821152326.db2.gz VYKJQRZYLSITQN-VIFPVBQESA-N -1 0 322.325 -0.481 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1cocn1 ZINC001073556780 821162480 /nfs/dbraw/zinc/16/24/80/821162480.db2.gz OPLFFWDCMHEYHZ-SECBINFHSA-N -1 0 322.325 -0.481 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)CC(N)=O)[C@@H](C)C2)c1[O-] ZINC001073841043 821250969 /nfs/dbraw/zinc/25/09/69/821250969.db2.gz ZTGJSAQQORZBAG-IONNQARKSA-N -1 0 323.353 -0.734 20 0 DBADRM CC(C)C(=O)N1CC[C@H]2OCCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001074175477 821298532 /nfs/dbraw/zinc/29/85/32/821298532.db2.gz VGQJYCWPMNLXLC-GHMZBOCLSA-N -1 0 309.370 -0.032 20 0 DBADRM CCN1CCO[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC001074313206 821331941 /nfs/dbraw/zinc/33/19/41/821331941.db2.gz YKJAMRASGMXXCY-NEPJUHHUSA-N -1 0 322.365 -0.579 20 0 DBADRM CCN1CCO[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]21 ZINC001074313207 821332192 /nfs/dbraw/zinc/33/21/92/821332192.db2.gz YKJAMRASGMXXCY-NWDGAFQWSA-N -1 0 322.365 -0.579 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CCN(C(=O)C3CC3)CC2)c1[O-] ZINC001074396430 821355790 /nfs/dbraw/zinc/35/57/90/821355790.db2.gz DXHVCWSALYXROI-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM C[C@H]1[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CCN1C(=O)[C@]12C[C@H]1COC2 ZINC001074660478 821409504 /nfs/dbraw/zinc/40/95/04/821409504.db2.gz FSUVZUKHQJZMJL-QSDJMHMYSA-N -1 0 307.354 -0.374 20 0 DBADRM C[C@@H](CCNC(=O)C1CC1)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001075280366 821503047 /nfs/dbraw/zinc/50/30/47/821503047.db2.gz PHPYCKZNGXWIHI-QMMMGPOBSA-N -1 0 323.353 -0.364 20 0 DBADRM C[C@@H](CCNC(=O)C(C)(C)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001075332319 821507196 /nfs/dbraw/zinc/50/71/96/821507196.db2.gz ZUBCXZCCRKUCBR-ZETCQYMHSA-N -1 0 317.321 -0.552 20 0 DBADRM O=C(Cc1cc[nH]n1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075639719 821564631 /nfs/dbraw/zinc/56/46/31/821564631.db2.gz BAKYFRSQDSHDSQ-GXSJLCMTSA-N -1 0 317.353 -0.491 20 0 DBADRM CC[C@@H](C(N)=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001075691928 821571255 /nfs/dbraw/zinc/57/12/55/821571255.db2.gz BLRDZPNWUGIXDW-GARJFASQSA-N -1 0 321.381 -0.166 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CN([C@H](C)C(N)=O)C[C@H]32)c1[O-] ZINC001075691955 821571868 /nfs/dbraw/zinc/57/18/68/821571868.db2.gz CRMIJXPCXQSILF-KXUCPTDWSA-N -1 0 307.354 -0.556 20 0 DBADRM O=C(CC1(O)CCC1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075776195 821595537 /nfs/dbraw/zinc/59/55/37/821595537.db2.gz AZHQKEIYIUSIHQ-WDEREUQCSA-N -1 0 321.381 -0.152 20 0 DBADRM Cc1c[nH]nc1C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075773207 821595776 /nfs/dbraw/zinc/59/57/76/821595776.db2.gz SQYJZZHEDRCNRQ-VHSXEESVSA-N -1 0 317.353 -0.112 20 0 DBADRM C/C=C(/C)C(=O)NCC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001076093724 821663594 /nfs/dbraw/zinc/66/35/94/821663594.db2.gz BUFBOWYYKPKEIS-OTOXVQDCSA-N -1 0 311.342 -0.334 20 0 DBADRM C[C@@H](CCNC(=O)C=C1CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001076119958 821667523 /nfs/dbraw/zinc/66/75/23/821667523.db2.gz OXRYPXBHEYJCDM-VIFPVBQESA-N -1 0 323.353 -0.189 20 0 DBADRM CNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001076165980 821676530 /nfs/dbraw/zinc/67/65/30/821676530.db2.gz WFNAQRPXYLNXFD-ZETCQYMHSA-N -1 0 311.342 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)C2=COCCO2)c1[O-] ZINC001076165823 821676641 /nfs/dbraw/zinc/67/66/41/821676641.db2.gz PMOFSUPCZVRUQQ-QMMMGPOBSA-N -1 0 324.337 -0.063 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)Cc2nc[nH]n2)c1[O-] ZINC001076168006 821678217 /nfs/dbraw/zinc/67/82/17/821678217.db2.gz WMVVCRVZPKJBNY-ZETCQYMHSA-N -1 0 321.341 -0.591 20 0 DBADRM O=C(Cc1cccs1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076684155 821806582 /nfs/dbraw/zinc/80/65/82/821806582.db2.gz ABAXJZYBOCKHFS-NXEZZACHSA-N -1 0 323.378 -0.524 20 0 DBADRM Cc1ccsc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076689548 821806967 /nfs/dbraw/zinc/80/69/67/821806967.db2.gz NBKYMSBOIIPLGF-RKDXNWHRSA-N -1 0 323.378 -0.145 20 0 DBADRM O=C(CC1CCCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076698006 821813026 /nfs/dbraw/zinc/81/30/26/821813026.db2.gz SWSOFGSMSFPNGL-GHMZBOCLSA-N -1 0 309.370 -0.248 20 0 DBADRM Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)on1 ZINC001076890106 821908141 /nfs/dbraw/zinc/90/81/41/821908141.db2.gz JUUTXTITYLGJJB-GHMZBOCLSA-N -1 0 321.337 -0.305 20 0 DBADRM Cc1ccc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)o1 ZINC001076900656 821913305 /nfs/dbraw/zinc/91/33/05/821913305.db2.gz ZOJCZVONTJGTKI-GHMZBOCLSA-N -1 0 321.337 -0.684 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)ns1 ZINC001076932931 821930957 /nfs/dbraw/zinc/93/09/57/821930957.db2.gz CEMCERXICOUBEP-RKDXNWHRSA-N -1 0 324.366 -0.750 20 0 DBADRM C[C@]1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CC=CCC1 ZINC001077051881 821979128 /nfs/dbraw/zinc/97/91/28/821979128.db2.gz LBMNNEBZSSWZQR-HFAKWTLXSA-N -1 0 321.381 -0.082 20 0 DBADRM C[C@@H](CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC1 ZINC001077299715 822071447 /nfs/dbraw/zinc/07/14/47/822071447.db2.gz ACLDKPNACIHDBH-QMMMGPOBSA-N -1 0 323.353 -0.364 20 0 DBADRM CC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CCCC1 ZINC001077467855 822120889 /nfs/dbraw/zinc/12/08/89/822120889.db2.gz HAFVWMRIRJTNGN-NXEZZACHSA-N -1 0 309.370 -0.248 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001077577871 822159320 /nfs/dbraw/zinc/15/93/20/822159320.db2.gz CLJYMLMEOKVRMI-FXQIFTODSA-N -1 0 309.326 -0.437 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC=CC1 ZINC001077578328 822159413 /nfs/dbraw/zinc/15/94/13/822159413.db2.gz XJXWRWPBGVSFCK-QMMMGPOBSA-N -1 0 321.337 -0.126 20 0 DBADRM Cc1ncccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077596673 822162720 /nfs/dbraw/zinc/16/27/20/822162720.db2.gz IOHUGSYOOYMBCY-GHMZBOCLSA-N -1 0 318.337 -0.811 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC001077637285 822174500 /nfs/dbraw/zinc/17/45/00/822174500.db2.gz CMLCPHXCSFWRSZ-CBAPKCEASA-N -1 0 323.353 -0.673 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1ccon1 ZINC001077680023 822186372 /nfs/dbraw/zinc/18/63/72/822186372.db2.gz NQCJAJALMVGIJW-ZETCQYMHSA-N -1 0 324.297 -0.998 20 0 DBADRM CC[C@H](F)C(=O)N[C@@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077680897 822188653 /nfs/dbraw/zinc/18/86/53/822188653.db2.gz BOVLXBRWOOFCGM-YUMQZZPRSA-N -1 0 317.321 -0.552 20 0 DBADRM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077702356 822195282 /nfs/dbraw/zinc/19/52/82/822195282.db2.gz UOILQHSOSOVALC-DDHJBXDOSA-N -1 0 323.397 -0.146 20 0 DBADRM CCCNC(=O)CN1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001112767756 828405396 /nfs/dbraw/zinc/40/53/96/828405396.db2.gz DMSJKLMJPJVNNR-UHFFFAOYSA-N -1 0 309.370 -0.292 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cs1 ZINC001077839745 822244195 /nfs/dbraw/zinc/24/41/95/822244195.db2.gz AFWOPPCQVBERGF-NXEZZACHSA-N -1 0 323.378 -0.145 20 0 DBADRM C[C@@H](CCNC(=O)CCCF)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077846776 822246050 /nfs/dbraw/zinc/24/60/50/822246050.db2.gz DWEZTMSHQACKIY-QMMMGPOBSA-N -1 0 317.321 -0.550 20 0 DBADRM C[C@@H](CCNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077860000 822248716 /nfs/dbraw/zinc/24/87/16/822248716.db2.gz KCBNDAGXTQPNEN-FXQIFTODSA-N -1 0 309.326 -0.437 20 0 DBADRM C[C@@H](CCNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001077865079 822252839 /nfs/dbraw/zinc/25/28/39/822252839.db2.gz LAPGEWUBFJKHQQ-GUBZILKMSA-N -1 0 322.365 -0.234 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)Nc1nccnc1F ZINC001113365211 828488603 /nfs/dbraw/zinc/48/86/03/828488603.db2.gz ZYVLJAVELOAQRY-WDSKDSINSA-N -1 0 323.288 -0.169 20 0 DBADRM C[C@@H](Nc1ncccn1)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001113364869 828488829 /nfs/dbraw/zinc/48/88/29/828488829.db2.gz VJCVCJANFBDXSI-NKWVEPMBSA-N -1 0 305.298 -0.308 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H](C)Nc1nccnc1F ZINC001113365209 828488889 /nfs/dbraw/zinc/48/88/89/828488889.db2.gz ZYVLJAVELOAQRY-PHDIDXHHSA-N -1 0 323.288 -0.169 20 0 DBADRM C[C@@H](Nc1nccnc1F)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001113365210 828488996 /nfs/dbraw/zinc/48/89/96/828488996.db2.gz ZYVLJAVELOAQRY-RITPCOANSA-N -1 0 323.288 -0.169 20 0 DBADRM Cc1cc(N(C)[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001113682412 828538486 /nfs/dbraw/zinc/53/84/86/828538486.db2.gz ZVISMRZLMIOTLB-VIFPVBQESA-N -1 0 321.341 -0.571 20 0 DBADRM CCn1cccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001078185892 823733220 /nfs/dbraw/zinc/73/32/20/823733220.db2.gz OOBJOONBHCEYCK-MWLCHTKSSA-N -1 0 320.353 -0.693 20 0 DBADRM CCCC(=O)N(CC)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001079219317 823852841 /nfs/dbraw/zinc/85/28/41/823852841.db2.gz FRZKXQYIJHVFRH-UHFFFAOYSA-N -1 0 322.365 -0.041 20 0 DBADRM CCN(C(=O)C=C(C)C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001079257327 823858513 /nfs/dbraw/zinc/85/85/13/823858513.db2.gz FXNAJOIGFYKCIU-UHFFFAOYSA-N -1 0 323.353 -0.285 20 0 DBADRM CCN(C(=O)C(C)C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001079329342 823868197 /nfs/dbraw/zinc/86/81/97/823868197.db2.gz KSVHWCWKSPSUOS-UHFFFAOYSA-N -1 0 322.365 -0.185 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1=COCCO1 ZINC001079383237 823875851 /nfs/dbraw/zinc/87/58/51/823875851.db2.gz JMQZPBDLCRCUSB-RKDXNWHRSA-N -1 0 309.326 -0.665 20 0 DBADRM Cc1cnn(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)c1 ZINC001079467564 823892587 /nfs/dbraw/zinc/89/25/87/823892587.db2.gz MNPFIIQMLZXQLK-GHMZBOCLSA-N -1 0 319.369 -0.348 20 0 DBADRM Cc1cc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)no1 ZINC001079502171 823903195 /nfs/dbraw/zinc/90/31/95/823903195.db2.gz HKHHIKMVCNMPFA-LDYMZIIASA-N -1 0 320.353 -0.014 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C[C@H]1CCOC1 ZINC001079513587 823903909 /nfs/dbraw/zinc/90/39/09/823903909.db2.gz CGEAOEIYSDOODI-GMTAPVOTSA-N -1 0 309.370 -0.127 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(C(=O)CC(=O)NC)C1 ZINC001079611752 823924408 /nfs/dbraw/zinc/92/44/08/823924408.db2.gz MHPCGEKMISCSBT-UHFFFAOYSA-N -1 0 323.353 -0.767 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1CCC(O)CC1 ZINC001079640054 823929776 /nfs/dbraw/zinc/92/97/76/823929776.db2.gz CPDSKBLDNPFXNV-HBIQZDMRSA-N -1 0 323.397 -0.002 20 0 DBADRM COc1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)co1 ZINC001080205137 824012164 /nfs/dbraw/zinc/01/21/64/824012164.db2.gz SBGHJWVNXYZGFG-HTQZYQBOSA-N -1 0 322.325 -0.243 20 0 DBADRM Cc1ncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)n1C ZINC001080333538 824028933 /nfs/dbraw/zinc/02/89/33/824028933.db2.gz SQGFNJWXSTXAIQ-PSASIEDQSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001080466089 824051037 /nfs/dbraw/zinc/05/10/37/824051037.db2.gz LEBJJUGHMPVCGZ-BFLSOPEQSA-N -1 0 309.370 -0.128 20 0 DBADRM C[C@@H]1CN(CCF)C[C@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001080636623 824067490 /nfs/dbraw/zinc/06/74/90/824067490.db2.gz GJCPKGKIFJFGJG-MWLCHTKSSA-N -1 0 322.344 -0.523 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001080851280 824100652 /nfs/dbraw/zinc/10/06/52/824100652.db2.gz AKXSHOWWRWWQSW-LDYMZIIASA-N -1 0 319.369 -0.279 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1CC12CC2 ZINC001082171011 824405635 /nfs/dbraw/zinc/40/56/35/824405635.db2.gz IYAWZZBOWJVZCB-IVZWLZJFSA-N -1 0 307.354 -0.374 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1nc(C)c[nH]1 ZINC001082219161 824410177 /nfs/dbraw/zinc/41/01/77/824410177.db2.gz XWVYHBPQDCAEOK-RKDXNWHRSA-N -1 0 321.341 -0.829 20 0 DBADRM CC(=O)N1CCO[C@@H]2CN(Cc3cc(=O)n4[n-]ccc4n3)C[C@@H]21 ZINC001082970941 824473815 /nfs/dbraw/zinc/47/38/15/824473815.db2.gz KZOOEJVQBDIKKL-QWHCGFSZSA-N -1 0 317.349 -0.546 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H]3CN(CCCO)C[C@@H]32)c1[O-] ZINC001083052295 824487656 /nfs/dbraw/zinc/48/76/56/824487656.db2.gz JCNLCPFXPBBZAG-WDEREUQCSA-N -1 0 310.354 -0.669 20 0 DBADRM O=C(Cc1cccs1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083311657 824538506 /nfs/dbraw/zinc/53/85/06/824538506.db2.gz ABAXJZYBOCKHFS-ZJUUUORDSA-N -1 0 323.378 -0.524 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCCCC1 ZINC001083315965 824539197 /nfs/dbraw/zinc/53/91/97/824539197.db2.gz DKEGQGOKXOEQSR-MNOVXSKESA-N -1 0 309.370 -0.248 20 0 DBADRM Cc1cccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1 ZINC001083322106 824542680 /nfs/dbraw/zinc/54/26/80/824542680.db2.gz RIMDFTHPRGPCEQ-NEPJUHHUSA-N -1 0 317.349 -0.206 20 0 DBADRM COCC1(CC(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CC1 ZINC001114260680 828664762 /nfs/dbraw/zinc/66/47/62/828664762.db2.gz RLHGCFYGDAMYAF-IWIIMEHWSA-N -1 0 321.381 -0.127 20 0 DBADRM Cc1cc(C)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)o1 ZINC001083395780 824597331 /nfs/dbraw/zinc/59/73/31/824597331.db2.gz ILJFUMFNBLVDNT-ZJUUUORDSA-N -1 0 321.337 -0.305 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@@H]2O)c1[O-] ZINC001083410724 824606949 /nfs/dbraw/zinc/60/69/49/824606949.db2.gz RJMGIRACWSPVGT-ZJUUUORDSA-N -1 0 318.337 -0.811 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccccn3)C[C@@H]2O)c1[O-] ZINC001083410496 824607338 /nfs/dbraw/zinc/60/73/38/824607338.db2.gz IUPHEGKFHQXRCJ-NEPJUHHUSA-N -1 0 317.349 -0.206 20 0 DBADRM CCc1[nH]ccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083441702 824625941 /nfs/dbraw/zinc/62/59/41/824625941.db2.gz BKFUJKZNBCWDDE-MNOVXSKESA-N -1 0 320.353 -0.624 20 0 DBADRM Cc1cnccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083449250 824632137 /nfs/dbraw/zinc/63/21/37/824632137.db2.gz MYEYKDBQLCRHBN-MNOVXSKESA-N -1 0 318.337 -0.811 20 0 DBADRM CCO[C@@H](C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1CC1 ZINC001114292728 828672391 /nfs/dbraw/zinc/67/23/91/828672391.db2.gz FGAZAEQADFQAQM-RSLMWUCJSA-N -1 0 321.381 -0.128 20 0 DBADRM Cc1cocc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083705368 824739058 /nfs/dbraw/zinc/73/90/58/824739058.db2.gz DEDSQRQCKVOIBA-ZJUUUORDSA-N -1 0 307.310 -0.613 20 0 DBADRM CC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CC=CC1 ZINC001083752918 824760065 /nfs/dbraw/zinc/76/00/65/824760065.db2.gz RPKDJXXVEPHQIW-ZJUUUORDSA-N -1 0 307.354 -0.472 20 0 DBADRM Cc1c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)ccn1C ZINC001083759742 824764069 /nfs/dbraw/zinc/76/40/69/824764069.db2.gz LLHVNHWUJNDIRA-MNOVXSKESA-N -1 0 320.353 -0.868 20 0 DBADRM COc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)o1 ZINC001083885620 824811987 /nfs/dbraw/zinc/81/19/87/824811987.db2.gz UFYOURLPMMNNKD-SFYZADRCSA-N -1 0 323.309 -0.913 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1[C@H]2CN(CCF)C[C@H]21 ZINC001114493820 828701392 /nfs/dbraw/zinc/70/13/92/828701392.db2.gz NVKKRWUTAMCWFY-JZYVYDRUSA-N -1 0 313.333 -0.515 20 0 DBADRM O=C(c1cn[nH]c1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084207202 824908842 /nfs/dbraw/zinc/90/88/42/824908842.db2.gz FOIRFTXRZVBEHD-PSASIEDQSA-N -1 0 303.326 -0.420 20 0 DBADRM O=C([C@@H]1CCOC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084222687 824911019 /nfs/dbraw/zinc/91/10/19/824911019.db2.gz FRIRRWZZCPXANV-GMTAPVOTSA-N -1 0 307.354 -0.421 20 0 DBADRM O=C(C[C@H]1CCOC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084245505 824915563 /nfs/dbraw/zinc/91/55/63/824915563.db2.gz WCWJVAGFEJBQBJ-IJLUTSLNSA-N -1 0 321.381 -0.030 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCN([C@H](C)C(N)=O)C[C@H]32)c1[O-] ZINC001084282796 824917706 /nfs/dbraw/zinc/91/77/06/824917706.db2.gz GHQZZAYFLDLNRE-OPRDCNLKSA-N -1 0 307.354 -0.556 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084321852 824924157 /nfs/dbraw/zinc/92/41/57/824924157.db2.gz DIJBAGHLSJEBBD-CKYFFXLPSA-N -1 0 309.370 -0.440 20 0 DBADRM COCC1(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCC1 ZINC001114584763 828714361 /nfs/dbraw/zinc/71/43/61/828714361.db2.gz PJGSJXMYYVZOEF-IAZYJMLFSA-N -1 0 321.381 -0.127 20 0 DBADRM O=C([C@H]1CCOC1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001084901550 824991061 /nfs/dbraw/zinc/99/10/61/824991061.db2.gz LRVGVMGQUIMLQC-WOPDTQHZSA-N -1 0 321.381 -0.030 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cnccn1 ZINC001085464731 825020021 /nfs/dbraw/zinc/02/00/21/825020021.db2.gz KQPKSVYXTDNEQL-SECBINFHSA-N -1 0 303.326 -0.353 20 0 DBADRM CNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001085543564 825037710 /nfs/dbraw/zinc/03/77/10/825037710.db2.gz ADOCQFSMJKVWQW-NXEZZACHSA-N -1 0 309.370 -0.295 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NC2CC2)c1[O-] ZINC001085549715 825041300 /nfs/dbraw/zinc/04/13/00/825041300.db2.gz BSSPFAWMCJLIJO-NSHDSACASA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2[C@@H]2CCCNC2=O)c1[O-] ZINC001085549836 825042066 /nfs/dbraw/zinc/04/20/66/825042066.db2.gz FHYJAGPIPOINRJ-GHMZBOCLSA-N -1 0 321.381 -0.151 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ncccc1O ZINC001085562122 825046372 /nfs/dbraw/zinc/04/63/72/825046372.db2.gz DLPXLYTXRPFSLX-SECBINFHSA-N -1 0 318.337 -0.043 20 0 DBADRM Cc1c[nH]nc1C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085590375 825058950 /nfs/dbraw/zinc/05/89/50/825058950.db2.gz KLFBGUWQJCXHLK-VIFPVBQESA-N -1 0 305.342 -0.112 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@]12C[C@H]1COC2 ZINC001085608943 825061887 /nfs/dbraw/zinc/06/18/87/825061887.db2.gz FESHEYIBGUINJX-RBZYPMLTSA-N -1 0 307.354 -0.421 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cn[nH]c(=O)c1 ZINC001085657637 825075279 /nfs/dbraw/zinc/07/52/79/825075279.db2.gz WMPOVMKNIYGDLP-VIFPVBQESA-N -1 0 319.325 -0.648 20 0 DBADRM Cc1nnccc1C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085699858 825089432 /nfs/dbraw/zinc/08/94/32/825089432.db2.gz XQSPQADKPFRERV-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM COc1nc(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)co1 ZINC001085745718 825097202 /nfs/dbraw/zinc/09/72/02/825097202.db2.gz OBSJGEZESNLJSH-MRVPVSSYSA-N -1 0 322.325 -0.147 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCN(C)C1=O ZINC001085771123 825106689 /nfs/dbraw/zinc/10/66/89/825106689.db2.gz VCPXMFMXMJTMCG-UWVGGRQHSA-N -1 0 322.369 -0.979 20 0 DBADRM Cc1cnn(C)c1C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085773406 825109012 /nfs/dbraw/zinc/10/90/12/825109012.db2.gz BXHXWKSWKXXAPA-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1ncc(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1C ZINC001085783927 825109987 /nfs/dbraw/zinc/10/99/87/825109987.db2.gz IICWVUFTSPCQSI-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1n[nH]cc1F ZINC001085803201 825116964 /nfs/dbraw/zinc/11/69/64/825116964.db2.gz KAXQDINAUJITNK-ZETCQYMHSA-N -1 0 309.305 -0.281 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cccnn1 ZINC001085887957 825133079 /nfs/dbraw/zinc/13/30/79/825133079.db2.gz MGDBQAFTMCPNQW-VIFPVBQESA-N -1 0 303.326 -0.353 20 0 DBADRM CC1(C)[C@H](NC(=O)C(N)=O)[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)[C@H]21 ZINC001087302070 825326377 /nfs/dbraw/zinc/32/63/77/825326377.db2.gz MZZGKCUCLGGLPG-FXBDTBDDSA-N -1 0 322.369 -0.899 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)C2=COCCO2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087493172 825336912 /nfs/dbraw/zinc/33/69/12/825336912.db2.gz IXRKCLJVOGCOJA-VHSXEESVSA-N -1 0 323.353 -0.132 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087560752 825341703 /nfs/dbraw/zinc/34/17/03/825341703.db2.gz MTSPJCBOFJWOEY-XHNCKOQMSA-N -1 0 324.341 -0.912 20 0 DBADRM O=C([C@H]1CCCO1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001087876345 825368717 /nfs/dbraw/zinc/36/87/17/825368717.db2.gz HMECKQABSFOWNN-GRYCIOLGSA-N -1 0 321.381 -0.030 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001087955779 825379407 /nfs/dbraw/zinc/37/94/07/825379407.db2.gz HDJYYXHSQDWNFA-NTZNESFSSA-N -1 0 323.397 -0.193 20 0 DBADRM O=C(c1cnon1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001088145493 825403890 /nfs/dbraw/zinc/40/38/90/825403890.db2.gz HWPAWEHVLTVAIS-BDAKNGLRSA-N -1 0 319.325 -0.513 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cccn2C)CCN1Cc1nn(C)c(=O)[n-]1 ZINC001088472503 825425436 /nfs/dbraw/zinc/42/54/36/825425436.db2.gz QMZVGVSHVQBUQA-MNOVXSKESA-N -1 0 318.381 -0.160 20 0 DBADRM Cc1ncc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)[nH]1 ZINC001088495896 825430010 /nfs/dbraw/zinc/43/00/10/825430010.db2.gz SGFINBXXHRGNOS-APPZFPTMSA-N -1 0 305.342 -0.065 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3cn(C)nn3)[C@@H]2C)c1[O-] ZINC001088525882 825433298 /nfs/dbraw/zinc/43/32/98/825433298.db2.gz RGCCLMIKRYPKOY-KOLCDFICSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC(=O)N2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088646789 825449235 /nfs/dbraw/zinc/44/92/35/825449235.db2.gz HFYXZFAOQJLKKC-KXUCPTDWSA-N -1 0 322.369 -0.742 20 0 DBADRM COc1nc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)co1 ZINC001088774992 825457948 /nfs/dbraw/zinc/45/79/48/825457948.db2.gz VJDMJHQMVLTWCQ-SFYZADRCSA-N -1 0 322.325 -0.100 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088804058 825462808 /nfs/dbraw/zinc/46/28/08/825462808.db2.gz GFISFAFUTUDDMQ-RWHSBRQSSA-N -1 0 307.354 -0.518 20 0 DBADRM Cc1cnn(C)c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001088802319 825462894 /nfs/dbraw/zinc/46/28/94/825462894.db2.gz UJNFWKCQCUTZLO-ZJUUUORDSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088941880 825479060 /nfs/dbraw/zinc/47/90/60/825479060.db2.gz YJOBYFNRSSUJLT-BDAKNGLRSA-N -1 0 305.342 -0.445 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001089006199 825484268 /nfs/dbraw/zinc/48/42/68/825484268.db2.gz RZYMHXSBUMFJOH-ZJUUUORDSA-N -1 0 319.369 -0.136 20 0 DBADRM C[C@@H](C[C@H](C)Nc1ncccn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001089359834 825500098 /nfs/dbraw/zinc/50/00/98/825500098.db2.gz TWIKOIHIBGIUGW-IUCAKERBSA-N -1 0 321.341 -0.125 20 0 DBADRM CCC(=O)N[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1O ZINC001089982678 825536692 /nfs/dbraw/zinc/53/66/92/825536692.db2.gz YJBYBGLDTZVESG-NWDGAFQWSA-N -1 0 319.365 -0.516 20 0 DBADRM CC(F)(F)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090001062 825542824 /nfs/dbraw/zinc/54/28/24/825542824.db2.gz MJWHFVMJAMAKCE-RQJHMYQMSA-N -1 0 305.285 -0.783 20 0 DBADRM CC(F)(F)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090001058 825542872 /nfs/dbraw/zinc/54/28/72/825542872.db2.gz MJWHFVMJAMAKCE-NKWVEPMBSA-N -1 0 305.285 -0.783 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccco1 ZINC001090018417 825547130 /nfs/dbraw/zinc/54/71/30/825547130.db2.gz CBMZDWDCBVUIEH-BDAKNGLRSA-N -1 0 307.310 -0.532 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccco1 ZINC001090018419 825547181 /nfs/dbraw/zinc/54/71/81/825547181.db2.gz CBMZDWDCBVUIEH-IUCAKERBSA-N -1 0 307.310 -0.532 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccncc1 ZINC001090018174 825547306 /nfs/dbraw/zinc/54/73/06/825547306.db2.gz ZBIMXBSFPHYVFR-WDEREUQCSA-N -1 0 318.337 -0.730 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccsc1 ZINC001090048508 825552562 /nfs/dbraw/zinc/55/25/62/825552562.db2.gz ZMFJWIANDYUALF-NXEZZACHSA-N -1 0 323.378 -0.063 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccsc1 ZINC001090048511 825553314 /nfs/dbraw/zinc/55/33/14/825553314.db2.gz ZMFJWIANDYUALF-ZJUUUORDSA-N -1 0 323.378 -0.063 20 0 DBADRM Cc1ocnc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090117994 825574386 /nfs/dbraw/zinc/57/43/86/825574386.db2.gz FDMUWGLOGGLZPC-BDAKNGLRSA-N -1 0 322.325 -0.828 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC=CC1 ZINC001090153881 825585235 /nfs/dbraw/zinc/58/52/35/825585235.db2.gz BJCJZTKKIQFYBH-WDEREUQCSA-N -1 0 307.354 -0.472 20 0 DBADRM O=C(CC1CCC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090167672 825588317 /nfs/dbraw/zinc/58/83/17/825588317.db2.gz WXUATJFUJNEHOW-MNOVXSKESA-N -1 0 309.370 -0.248 20 0 DBADRM Cc1ncoc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090174343 825589664 /nfs/dbraw/zinc/58/96/64/825589664.db2.gz KMQYIGCRMUHLGR-RKDXNWHRSA-N -1 0 322.325 -0.828 20 0 DBADRM O=C(C=C1CCC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090186138 825590803 /nfs/dbraw/zinc/59/08/03/825590803.db2.gz MCDZSXYCVAHXTM-GHMZBOCLSA-N -1 0 307.354 -0.328 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1=CCCC1 ZINC001090187951 825591850 /nfs/dbraw/zinc/59/18/50/825591850.db2.gz AAVOCXQYJGNYQY-GHMZBOCLSA-N -1 0 307.354 -0.328 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)co1 ZINC001090225871 825602845 /nfs/dbraw/zinc/60/28/45/825602845.db2.gz QOJNPAYZEZPRJI-WDEREUQCSA-N -1 0 321.337 -0.223 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccsn1 ZINC001090353097 825647659 /nfs/dbraw/zinc/64/76/59/825647659.db2.gz WTJVKVFHYNCSKI-IONNQARKSA-N -1 0 324.366 -0.668 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cc(F)c[nH]1 ZINC001090439935 825697768 /nfs/dbraw/zinc/69/77/68/825697768.db2.gz YPKWYYLOHXHIPC-WCBMZHEXSA-N -1 0 324.316 -0.657 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC2(CC2)C1 ZINC001090559757 825749394 /nfs/dbraw/zinc/74/93/94/825749394.db2.gz NIQIWVYVQBZBKP-MNOVXSKESA-N -1 0 321.381 -0.248 20 0 DBADRM Cc1cnoc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090692734 825803552 /nfs/dbraw/zinc/80/35/52/825803552.db2.gz OAFRCPLFSFHINM-IUCAKERBSA-N -1 0 322.325 -0.828 20 0 DBADRM Cc1c[nH]cc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090804222 825849467 /nfs/dbraw/zinc/84/94/67/825849467.db2.gz GQKYLKVLJVVBRA-MNOVXSKESA-N -1 0 320.353 -0.488 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CC(NCc3nnn(C)n3)C2)c1[O-] ZINC001090986061 825894033 /nfs/dbraw/zinc/89/40/33/825894033.db2.gz NPPLJHUGVUHNGV-UHFFFAOYSA-N -1 0 320.357 -0.755 20 0 DBADRM CC(=O)N[C@@H]1CC2(CN(Cc3n[nH]c(=O)[n-]3)C2)n2ccnc21 ZINC001092340010 826026492 /nfs/dbraw/zinc/02/64/92/826026492.db2.gz OWGKBTLKNKHYJH-SECBINFHSA-N -1 0 303.326 -0.501 20 0 DBADRM CC(=O)N1CCC(OC2CN(Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001093491223 826129813 /nfs/dbraw/zinc/12/98/13/826129813.db2.gz NRHBDIYAYJUYKO-UHFFFAOYSA-N -1 0 309.370 -0.680 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNc2nc(C)nc(N(C)C)n2)c1[O-] ZINC001093585097 826146250 /nfs/dbraw/zinc/14/62/50/826146250.db2.gz BJASEYXQJBYSAS-UHFFFAOYSA-N -1 0 320.357 -0.175 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNc1ncc(Cl)cn1 ZINC001093779183 826167521 /nfs/dbraw/zinc/16/75/21/826167521.db2.gz CIUSXNPYDVDQTL-UHFFFAOYSA-N -1 0 313.705 -0.639 20 0 DBADRM Cc1cc(NCCNC(=O)c2cnc([O-])n(C)c2=O)ncn1 ZINC001094032596 826190001 /nfs/dbraw/zinc/19/00/01/826190001.db2.gz NXMGFXXZNFWXJA-UHFFFAOYSA-N -1 0 304.310 -0.574 20 0 DBADRM Cc1cc(NCCNC(=O)c2c[n-]n3c2nccc3=O)ncn1 ZINC001094160323 826200691 /nfs/dbraw/zinc/20/06/91/826200691.db2.gz JFEDKZKYQQJQLN-UHFFFAOYSA-N -1 0 313.321 -0.037 20 0 DBADRM Cc1nccc(NCCNC(=O)c2c[n-]n3c2nccc3=O)n1 ZINC001094160471 826201299 /nfs/dbraw/zinc/20/12/99/826201299.db2.gz PMJXCDCPMBBLED-UHFFFAOYSA-N -1 0 313.321 -0.037 20 0 DBADRM Cc1ccnc(NCCNC(=O)c2c[n-]n3c2nccc3=O)n1 ZINC001094160596 826202039 /nfs/dbraw/zinc/20/20/39/826202039.db2.gz XIMMEMZONOPDLG-UHFFFAOYSA-N -1 0 313.321 -0.037 20 0 DBADRM Cc1cnc(C)nc1NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001094527648 826246992 /nfs/dbraw/zinc/24/69/92/826246992.db2.gz OHTCKQYHXKLCJV-UHFFFAOYSA-N -1 0 321.341 -0.285 20 0 DBADRM Cc1cc(NCCCNC(=O)c2cnc([O-])n(C)c2=O)ncn1 ZINC001094697976 826259836 /nfs/dbraw/zinc/25/98/36/826259836.db2.gz ZRDOCXOUDHKQIV-UHFFFAOYSA-N -1 0 318.337 -0.184 20 0 DBADRM CCCN1CC(N2C[C@H](NC(=O)c3[nH]nc(C)c3[O-])CC2=O)C1 ZINC001094721859 826270439 /nfs/dbraw/zinc/27/04/39/826270439.db2.gz MCOALEURKKJQSN-SNVBAGLBSA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1ccc(NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001094887927 826298368 /nfs/dbraw/zinc/29/83/68/826298368.db2.gz HQVQLWQMVWWZJR-UHFFFAOYSA-N -1 0 305.298 -0.387 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cnccn1 ZINC001095125261 826307337 /nfs/dbraw/zinc/30/73/37/826307337.db2.gz XTCIKQAOFVCWSG-YWVKMMECSA-N -1 0 315.337 -0.164 20 0 DBADRM O=C(Cc1ccon1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001095250318 826315190 /nfs/dbraw/zinc/31/51/90/826315190.db2.gz FOIBCQOAGHVCSI-VWYCJHECSA-N -1 0 318.337 -0.038 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H](C)C(N)=O)c1[O-] ZINC001095315954 826315971 /nfs/dbraw/zinc/31/59/71/826315971.db2.gz DJMHVPWVOSGNAP-IMSYWVGJSA-N -1 0 307.354 -0.367 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1ncc[nH]1 ZINC001095393013 826322137 /nfs/dbraw/zinc/32/21/37/826322137.db2.gz OBWJSQMYOXCGCB-VGMNWLOBSA-N -1 0 303.326 -0.231 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1nccnc1F ZINC001095782650 826345198 /nfs/dbraw/zinc/34/51/98/826345198.db2.gz YBRNMWDLZFRHOX-UHFFFAOYSA-N -1 0 323.288 -0.532 20 0 DBADRM CNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1[O-])C2 ZINC001096960311 826403853 /nfs/dbraw/zinc/40/38/53/826403853.db2.gz JPFYSSWNAKFUJP-DBIOUOCHSA-N -1 0 321.381 -0.107 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@]12C[C@H]1COC2 ZINC001097109548 826410791 /nfs/dbraw/zinc/41/07/91/826410791.db2.gz XQQDVBAVFKEEIB-GSURGFDJSA-N -1 0 319.365 -0.232 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)Nc2nccn3nnnc23)c1[O-] ZINC001097803865 826434885 /nfs/dbraw/zinc/43/48/85/826434885.db2.gz JAUZXDDBEJBECV-LURJTMIESA-N -1 0 317.313 -0.513 20 0 DBADRM Cc1nccc(N[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001097976212 826443248 /nfs/dbraw/zinc/44/32/48/826443248.db2.gz AFRQKFGRADNQJO-SSDOTTSWSA-N -1 0 307.314 -0.595 20 0 DBADRM Cc1cc(N[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)nc(C)n1 ZINC001097976373 826443613 /nfs/dbraw/zinc/44/36/13/826443613.db2.gz GCIPHZWYDBFQQX-QMMMGPOBSA-N -1 0 321.341 -0.287 20 0 DBADRM Cc1nsc(N[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001098435294 826482578 /nfs/dbraw/zinc/48/25/78/826482578.db2.gz MGSINARRERSBHA-SCSAIBSYSA-N -1 0 311.327 -0.327 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1cc(F)ncn1 ZINC001098435052 826482823 /nfs/dbraw/zinc/48/28/23/826482823.db2.gz FZKKZYWLSDBAEU-YFKPBYRVSA-N -1 0 309.261 -0.558 20 0 DBADRM O=C(NCCCNCc1cnsn1)c1n[nH]c(=O)[n-]c1=O ZINC001161863379 833059807 /nfs/dbraw/zinc/05/98/07/833059807.db2.gz JMJAVQMRCCTXOJ-UHFFFAOYSA-N -1 0 311.327 -0.956 20 0 DBADRM O=C(N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2)c1cnon1 ZINC001099088050 826550887 /nfs/dbraw/zinc/55/08/87/826550887.db2.gz SDODXHOKOXWNDY-SDBXPKJASA-N -1 0 319.325 -0.322 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1C[C@@H]2[C@H](C1)OCCN2Cc1cn[nH]c1 ZINC001274428830 833075941 /nfs/dbraw/zinc/07/59/41/833075941.db2.gz QEXVYVBADXXJMK-NEPJUHHUSA-N -1 0 318.337 -0.436 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2cnc(C)[nH]c2=O)nc1 ZINC001162303786 833088276 /nfs/dbraw/zinc/08/82/76/833088276.db2.gz XDENSKRSYCYBJY-JTQLQIEISA-N -1 0 323.334 -0.284 20 0 DBADRM COc1c(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cnn1C ZINC001274533415 833092146 /nfs/dbraw/zinc/09/21/46/833092146.db2.gz ATUCCSUSSBEBOQ-ONEGZZNKSA-N -1 0 321.341 -0.672 20 0 DBADRM CC(C)C1(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CC1 ZINC001099996038 826766244 /nfs/dbraw/zinc/76/62/44/826766244.db2.gz HZWWQLSJJRQLKO-QWRGUYRKSA-N -1 0 323.397 -0.002 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(C)(C)C(N)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001274634740 833112848 /nfs/dbraw/zinc/11/28/48/833112848.db2.gz QVRFSCAPGKJHQJ-RKDXNWHRSA-N -1 0 324.385 -0.509 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)CN1C(=O)CNC1=O)c1nc(=O)o[n-]1 ZINC001162936971 833124168 /nfs/dbraw/zinc/12/41/68/833124168.db2.gz WENHFRLWPIKXRQ-QMMMGPOBSA-N -1 0 311.298 -0.882 20 0 DBADRM CN(CCNC(=O)c1cnc([O-])n(C)c1=O)c1ncc(F)cn1 ZINC001100263630 826921902 /nfs/dbraw/zinc/92/19/02/826921902.db2.gz ZPXNOHYIDDPVSH-UHFFFAOYSA-N -1 0 322.300 -0.719 20 0 DBADRM Nc1nc(=O)c(F)cn1-c1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001163010147 833126206 /nfs/dbraw/zinc/12/62/06/833126206.db2.gz KFUSQYYCWTXRHE-UHFFFAOYSA-N -1 0 310.266 -0.371 20 0 DBADRM CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)n(C)[n-]1 ZINC001274805002 833128513 /nfs/dbraw/zinc/12/85/13/833128513.db2.gz LIBXTMCIVXOAET-PHIMTYICSA-N -1 0 321.381 -0.497 20 0 DBADRM COCCOCN1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(=O)n(C)[n-]1 ZINC001274805681 833128587 /nfs/dbraw/zinc/12/85/87/833128587.db2.gz XQCUFGODQJZRFF-PHIMTYICSA-N -1 0 310.354 -0.355 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccc(C)nn1 ZINC001100577894 826986504 /nfs/dbraw/zinc/98/65/04/826986504.db2.gz WYTLPMYKHKQDGF-UHFFFAOYSA-N -1 0 321.341 -0.570 20 0 DBADRM NC(=O)[C@@H]1CC12CN(C(=O)c1ccccc1S(=O)(=O)[O-])C2 ZINC001275010034 833146332 /nfs/dbraw/zinc/14/63/32/833146332.db2.gz MTSRCLCODGBWKP-VIFPVBQESA-N -1 0 310.331 -0.119 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNc2nccn3nnnc23)c1[O-] ZINC001101554970 827116078 /nfs/dbraw/zinc/11/60/78/827116078.db2.gz AKMZHRVXUXXVLL-UHFFFAOYSA-N -1 0 317.313 -0.559 20 0 DBADRM CN(CCNc1cnc(F)cn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001102050504 827183787 /nfs/dbraw/zinc/18/37/87/827183787.db2.gz SQAFNKQKZZLUJI-UHFFFAOYSA-N -1 0 309.261 -0.604 20 0 DBADRM O=C1[N-]C(=O)[C@@H](Nc2cc(CN3CCNC(=O)C3)ccn2)S1 ZINC001163666721 833162072 /nfs/dbraw/zinc/16/20/72/833162072.db2.gz VHOVFHPWYFKVCE-LBPRGKRZSA-N -1 0 321.362 -0.266 20 0 DBADRM O=C1[N-]C(=O)[C@H](Nc2cc(CN3CCNC(=O)C3)ccn2)S1 ZINC001163666720 833162123 /nfs/dbraw/zinc/16/21/23/833162123.db2.gz VHOVFHPWYFKVCE-GFCCVEGCSA-N -1 0 321.362 -0.266 20 0 DBADRM COc1cc(N[C@H]2SC(=O)[N-]C2=O)nc([S@](C)=O)n1 ZINC001163662166 833162415 /nfs/dbraw/zinc/16/24/15/833162415.db2.gz KSSSJMOQJAELOS-IIYDVTGLSA-N -1 0 302.337 -0.056 20 0 DBADRM CCNC(=O)CN(C)c1ccc(S(=O)(=O)[N-]C(C)=O)cn1 ZINC001163914220 833177859 /nfs/dbraw/zinc/17/78/59/833177859.db2.gz OCVSAGWPXYMJCM-UHFFFAOYSA-N -1 0 314.367 -0.521 20 0 DBADRM Cc1ccc(NC[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001104273481 827334698 /nfs/dbraw/zinc/33/46/98/827334698.db2.gz RRLKWLNTEFFXRS-SSDOTTSWSA-N -1 0 319.325 -0.141 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNc1ncccn1 ZINC001104273594 827335163 /nfs/dbraw/zinc/33/51/63/827335163.db2.gz VLOZXFDPAOOBBW-ZETCQYMHSA-N -1 0 305.298 -0.449 20 0 DBADRM CN(C)C(=O)[C@@H]1COCCC12CN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001275610159 833193718 /nfs/dbraw/zinc/19/37/18/833193718.db2.gz PKUMUXFGKVADPA-JTQLQIEISA-N -1 0 322.365 -0.307 20 0 DBADRM Cc1nccc(NC[C@H](C)N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001104644205 827363961 /nfs/dbraw/zinc/36/39/61/827363961.db2.gz MAICKFBMZNHCEL-QMMMGPOBSA-N -1 0 321.341 -0.253 20 0 DBADRM Cc1ccnc(NC[C@@H](C)N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001104643981 827363973 /nfs/dbraw/zinc/36/39/73/827363973.db2.gz JEXHOJQMZJIFEY-SECBINFHSA-N -1 0 321.341 -0.253 20 0 DBADRM C[C@H](CNc1cc(F)ncn1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001104881008 827377127 /nfs/dbraw/zinc/37/71/27/827377127.db2.gz DODRWKFDEDTSSS-ZCFIWIBFSA-N -1 0 323.288 -0.216 20 0 DBADRM Cn1[n-]c(C(=O)N2CC3(C[C@H]3C(=O)NCC(F)F)C2)cc1=O ZINC001275610691 833194136 /nfs/dbraw/zinc/19/41/36/833194136.db2.gz YRSWPQWHNGZNSQ-ZETCQYMHSA-N -1 0 314.292 -0.031 20 0 DBADRM CN(C)C(=O)[C@H]1COCCC12CN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001275610160 833193423 /nfs/dbraw/zinc/19/34/23/833193423.db2.gz PKUMUXFGKVADPA-SNVBAGLBSA-N -1 0 322.365 -0.307 20 0 DBADRM Cn1[n-]c(C(=O)N2C[C@H]3C[C@@]3(C(=O)Nc3cn[nH]c3)C2)cc1=O ZINC001275609860 833193467 /nfs/dbraw/zinc/19/34/67/833193467.db2.gz FOCQEKGKLLYTGH-XLKFXECMSA-N -1 0 316.321 -0.050 20 0 DBADRM Cn1[n-]c(C(=O)N2CC3(C[C@@H]3C(=O)N3CC=CC3)C2)cc1=O ZINC001275613856 833194613 /nfs/dbraw/zinc/19/46/13/833194613.db2.gz PTLRFTQYXUEJOM-SNVBAGLBSA-N -1 0 302.334 -0.014 20 0 DBADRM NC(=O)c1nnc2n1CCN(C(=O)c1cccc(F)c1[O-])C2 ZINC001275841829 833212829 /nfs/dbraw/zinc/21/28/29/833212829.db2.gz BJYZOGZVMLIQBM-UHFFFAOYSA-N -1 0 305.269 -0.122 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccsc1S(N)(=O)=O ZINC001164584716 833222425 /nfs/dbraw/zinc/22/24/25/833222425.db2.gz OUWZUELKMXDCKO-UHFFFAOYSA-N -1 0 307.353 -0.807 20 0 DBADRM NC(=O)c1nnc2n1CCN(C(=O)c1ccc(F)cc1[O-])C2 ZINC001275959413 833227495 /nfs/dbraw/zinc/22/74/95/833227495.db2.gz DRMVHBABQRDQHB-UHFFFAOYSA-N -1 0 305.269 -0.122 20 0 DBADRM O=C(NCc1c[nH]cn1)[C@]12C[C@H]1CCN2C(=O)c1cc(=O)[nH][n-]1 ZINC001276023136 833235832 /nfs/dbraw/zinc/23/58/32/833235832.db2.gz QBIGEKGNJIAJJV-CLAHSXSESA-N -1 0 316.321 -0.241 20 0 DBADRM O=C(NCC(F)F)[C@@H]1CC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276019085 833235931 /nfs/dbraw/zinc/23/59/31/833235931.db2.gz KGNPPXHTTSGRTC-LURJTMIESA-N -1 0 300.265 -0.041 20 0 DBADRM O=C(Nc1nnco1)[C@@H]1CC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276019309 833235960 /nfs/dbraw/zinc/23/59/60/833235960.db2.gz NDSUUQLCUBPTNW-LURJTMIESA-N -1 0 304.266 -0.401 20 0 DBADRM Cn1ccnc1NC(=O)[C@@]12C[C@@H]1CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276020066 833236148 /nfs/dbraw/zinc/23/61/48/833236148.db2.gz ZZDIAJWJBLDOLE-XLKFXECMSA-N -1 0 316.321 -0.050 20 0 DBADRM CCC(=O)NCc1cn(C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001107111276 827702706 /nfs/dbraw/zinc/70/27/06/827702706.db2.gz NWACFYWFXVTZIV-UHFFFAOYSA-N -1 0 306.330 -0.815 20 0 DBADRM CCCC(=O)NCc1cn(C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001107117268 827703633 /nfs/dbraw/zinc/70/36/33/827703633.db2.gz RGSJAJSXUOBOPM-UHFFFAOYSA-N -1 0 320.357 -0.425 20 0 DBADRM Cc1ccnc(NC/C=C\CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001107286869 827738329 /nfs/dbraw/zinc/73/83/29/827738329.db2.gz GZJJGFSSHNGUBX-IHWYPQMZSA-N -1 0 319.325 -0.428 20 0 DBADRM Cc1nccc(NC/C=C/CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001107287036 827738568 /nfs/dbraw/zinc/73/85/68/827738568.db2.gz KEMBWMNHZSUDBV-NSCUHMNNSA-N -1 0 319.325 -0.428 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC=CCNc1cnc(F)cn1 ZINC001107287245 827738758 /nfs/dbraw/zinc/73/87/58/827738758.db2.gz ODKXAMQKNVZPKH-OWOJBTEDSA-N -1 0 323.288 -0.597 20 0 DBADRM O=C(NCC=CCNc1ncc(F)cn1)c1n[nH]c(=O)[n-]c1=O ZINC001107604480 827756673 /nfs/dbraw/zinc/75/66/73/827756673.db2.gz BSGPKLYPWATSLN-UPHRSURJSA-N -1 0 321.272 -0.390 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNc2ccc3nnnn3n2)c1[O-] ZINC001107689087 827768993 /nfs/dbraw/zinc/76/89/93/827768993.db2.gz RMCIEYGTRGJVAA-ZCFIWIBFSA-N -1 0 317.313 -0.513 20 0 DBADRM CCOCC(=O)NC[C@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107713100 827774948 /nfs/dbraw/zinc/77/49/48/827774948.db2.gz FVMXPQFIAFZGNA-CYBMUJFWSA-N -1 0 313.358 -0.746 20 0 DBADRM CSCC(=O)NC[C@@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107718886 827777190 /nfs/dbraw/zinc/77/71/90/827777190.db2.gz RTAYSPAZJPHBNG-LBPRGKRZSA-N -1 0 315.399 -0.420 20 0 DBADRM C[C@H](CNc1ncccn1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001108001257 827864376 /nfs/dbraw/zinc/86/43/76/827864376.db2.gz WLOROIZPZQCDST-SECBINFHSA-N -1 0 321.341 -0.124 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001108123816 827901402 /nfs/dbraw/zinc/90/14/02/827901402.db2.gz AZTZCHUIDDMKSL-RNCFNFMXSA-N -1 0 315.349 -0.035 20 0 DBADRM Cc1cc(NC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)nc(C)n1 ZINC001108466162 827980032 /nfs/dbraw/zinc/98/00/32/827980032.db2.gz PBZGHFKSJVVEIF-QMMMGPOBSA-N -1 0 321.341 -0.287 20 0 DBADRM Cc1nccc(NC[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001108781951 828047407 /nfs/dbraw/zinc/04/74/07/828047407.db2.gz GNZLAHZWKGCLPB-LURJTMIESA-N -1 0 305.298 -0.388 20 0 DBADRM C[C@@H](CN(C)c1cccc(F)n1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001109044020 828081060 /nfs/dbraw/zinc/08/10/60/828081060.db2.gz KILCWGQGKPWGMY-QMMMGPOBSA-N -1 0 324.316 -0.136 20 0 DBADRM Cc1ccnc(N(C)C[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001109309554 828109696 /nfs/dbraw/zinc/10/96/96/828109696.db2.gz JKDZJRCVRKPRRQ-QMMMGPOBSA-N -1 0 319.325 -0.364 20 0 DBADRM CN(CCCNc1ncccn1)C(=O)c1cnc([O-])n(C)c1=O ZINC001109575523 828122112 /nfs/dbraw/zinc/12/21/12/828122112.db2.gz HMBTVMWPONZGQN-UHFFFAOYSA-N -1 0 318.337 -0.150 20 0 DBADRM NC(=O)C1CCN(c2ccc(N[C@@H]3CO[N-]C3=O)nn2)CC1 ZINC001167506622 833301854 /nfs/dbraw/zinc/30/18/54/833301854.db2.gz MHBBZIKXOYWJMG-SECBINFHSA-N -1 0 306.326 -0.980 20 0 DBADRM COC(=O)c1nc(Cl)nc(N[C@@H]2CO[N-]C2=O)c1OC ZINC001167506828 833301990 /nfs/dbraw/zinc/30/19/90/833301990.db2.gz YFTUTQANVXQSKC-SCSAIBSYSA-N -1 0 302.674 -0.233 20 0 DBADRM C[C@H]1[C@H](Nc2ncnc3sncc32)C(=O)N1S(=O)(=O)[O-] ZINC001167858102 833311604 /nfs/dbraw/zinc/31/16/04/833311604.db2.gz KAQDHBURJMHKPT-NJGYIYPDSA-N -1 0 315.336 -0.100 20 0 DBADRM COc1ncnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1OC ZINC001167857371 833311682 /nfs/dbraw/zinc/31/16/82/833311682.db2.gz AMWOMPKALZSEMA-WDSKDSINSA-N -1 0 318.311 -0.692 20 0 DBADRM CCc1ncc(F)c(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001167858104 833311690 /nfs/dbraw/zinc/31/16/90/833311690.db2.gz KDOXJAQVSNSHKR-XNCJUZBTSA-N -1 0 304.303 -0.008 20 0 DBADRM C[C@H]1[C@H](Nc2nccc3c2NC(=O)C3)C(=O)N1S(=O)(=O)[O-] ZINC001167858131 833311718 /nfs/dbraw/zinc/31/17/18/833311718.db2.gz LVTDDHSFUAVSJG-XNCJUZBTSA-N -1 0 312.307 -0.610 20 0 DBADRM CC(=O)Nc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)ncn1 ZINC001167858694 833312096 /nfs/dbraw/zinc/31/20/96/833312096.db2.gz QURNAILPHJHZAR-CDUCUWFYSA-N -1 0 315.311 -0.751 20 0 DBADRM CNC(=O)c1cnc(NC(=N)SCCS(=O)(=O)[O-])nc1 ZINC001168088055 833317927 /nfs/dbraw/zinc/31/79/27/833317927.db2.gz CFQLZZNPNGMERZ-UHFFFAOYSA-N -1 0 319.368 -0.196 20 0 DBADRM CCOC(=O)[C@H](CC(=O)NCc1nc([O-])cc(=O)[nH]1)C(C)=O ZINC001168430563 833323828 /nfs/dbraw/zinc/32/38/28/833323828.db2.gz NEINCNNJTZJODN-MRVPVSSYSA-N -1 0 311.294 -0.338 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)cn1 ZINC001168693626 833326598 /nfs/dbraw/zinc/32/65/98/833326598.db2.gz IKJVJRPLGIWZIM-VXGBXAGGSA-N -1 0 313.321 -0.128 20 0 DBADRM C[C@@]1(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)CCNC1=O ZINC001168695128 833326720 /nfs/dbraw/zinc/32/67/20/833326720.db2.gz QIKBHPHACHOVIR-IINYFYTJSA-N -1 0 300.322 -0.069 20 0 DBADRM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC001116041560 828873146 /nfs/dbraw/zinc/87/31/46/828873146.db2.gz JVGTWTYEXJUBAU-ZCFIWIBFSA-N -1 0 309.355 -0.053 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001116041388 828873165 /nfs/dbraw/zinc/87/31/65/828873165.db2.gz JOQUMBLMSNPKMB-VIFPVBQESA-N -1 0 307.372 -0.740 20 0 DBADRM O=C(Cc1cnn(-c2ccccc2)n1)NCc1nc(=O)o[n-]1 ZINC001116446794 828895557 /nfs/dbraw/zinc/89/55/57/828895557.db2.gz JAMXBIXTRNZWRU-UHFFFAOYSA-N -1 0 300.278 -0.198 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)[N-]n1ccc(=O)[nH]c1=O ZINC001168869981 833330412 /nfs/dbraw/zinc/33/04/12/833330412.db2.gz ZEKYXKTYHHLKPQ-UHFFFAOYSA-N -1 0 313.277 -0.383 20 0 DBADRM CC(C)c1nc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c[nH]1 ZINC001116610793 828903625 /nfs/dbraw/zinc/90/36/25/828903625.db2.gz GVSVDIVAXQVIKC-UHFFFAOYSA-N -1 0 301.328 -0.380 20 0 DBADRM COc1cc(OC)c(NC(=O)C(=O)[N-]OCC(N)=O)cc1F ZINC001116717026 828909273 /nfs/dbraw/zinc/90/92/73/828909273.db2.gz JANPHZBGSOMDPD-UHFFFAOYSA-N -1 0 315.257 -0.686 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC001116735146 828910633 /nfs/dbraw/zinc/91/06/33/828910633.db2.gz MVPKLUBMJVYVOW-UHFFFAOYSA-N -1 0 313.335 -0.157 20 0 DBADRM O=C(NCCC1CS(=O)(=O)C1)c1ccc2c(c1)C(=O)NC2=O ZINC001116749016 828911325 /nfs/dbraw/zinc/91/13/25/828911325.db2.gz WEHSTSFAXQFGGQ-UHFFFAOYSA-N -1 0 322.342 -0.265 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC001116845217 828915854 /nfs/dbraw/zinc/91/58/54/828915854.db2.gz JQCYQIYCBDHGPZ-JTQLQIEISA-N -1 0 312.326 -0.096 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(CCC(N)=O)cc1 ZINC001116857511 828916848 /nfs/dbraw/zinc/91/68/48/828916848.db2.gz QIFNZVOXFLEXIJ-UHFFFAOYSA-N -1 0 309.322 -0.263 20 0 DBADRM CCCCOCCNC(=O)CS(=O)(=O)c1n[nH]c(C)n1 ZINC001117136068 828946355 /nfs/dbraw/zinc/94/63/55/828946355.db2.gz ZDZOIZWQHKNLAC-UHFFFAOYSA-N -1 0 304.372 -0.180 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001117378925 828970139 /nfs/dbraw/zinc/97/01/39/828970139.db2.gz GHLZGTCUHCYMRE-SECBINFHSA-N -1 0 322.383 -0.847 20 0 DBADRM CCc1cc(=O)n2[n-]c(NS(=O)(=O)c3ccnn3C)nc2n1 ZINC001117503523 828985746 /nfs/dbraw/zinc/98/57/46/828985746.db2.gz XRNJVUQWVLXIFA-UHFFFAOYSA-N -1 0 323.338 -0.486 20 0 DBADRM CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001117573020 828993916 /nfs/dbraw/zinc/99/39/16/828993916.db2.gz AVVZALWRQYSAPZ-WDEREUQCSA-N -1 0 313.354 -0.756 20 0 DBADRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC001117753580 829013892 /nfs/dbraw/zinc/01/38/92/829013892.db2.gz SRCNBTXQZBXOPJ-VIFPVBQESA-N -1 0 311.342 -0.339 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1)C(=O)[O-] ZINC001118179454 829044868 /nfs/dbraw/zinc/04/48/68/829044868.db2.gz VDAPRKXNBSEMFM-NXEZZACHSA-N -1 0 324.337 -0.163 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)C[C@@H]1C(=O)[O-] ZINC001118178687 829045136 /nfs/dbraw/zinc/04/51/36/829045136.db2.gz FDGHEYOSSHLWMA-XAGWURHQSA-N -1 0 324.377 -0.071 20 0 DBADRM NC(=O)C1(C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001118218703 829051714 /nfs/dbraw/zinc/05/17/14/829051714.db2.gz JYBWCVQJLBZUEB-QMMMGPOBSA-N -1 0 307.310 -0.595 20 0 DBADRM COCCOCCN1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC001118246985 829056513 /nfs/dbraw/zinc/05/65/13/829056513.db2.gz WNLQMCDZWPBCPX-UHFFFAOYSA-N -1 0 303.359 -0.549 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCc2n[nH]c(=O)cc2C1 ZINC001118254835 829057040 /nfs/dbraw/zinc/05/70/40/829057040.db2.gz JMGCPDWBKMAXFQ-UHFFFAOYSA-N -1 0 308.294 -0.952 20 0 DBADRM CC(C)(O)CCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001118255129 829057604 /nfs/dbraw/zinc/05/76/04/829057604.db2.gz QJPNSYHRVQRIPF-UHFFFAOYSA-N -1 0 316.354 -0.739 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)N3CCC3)CC2)C1 ZINC001118265507 829059090 /nfs/dbraw/zinc/05/90/90/829059090.db2.gz QGRJBJOEHCFIAW-JTQLQIEISA-N -1 0 323.349 -0.857 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H](C)Oc1ccccc1 ZINC001118283161 829062248 /nfs/dbraw/zinc/06/22/48/829062248.db2.gz TZHZEODGMVACLR-NSHDSACASA-N -1 0 323.349 -0.246 20 0 DBADRM C[C@H](CNC(=O)N1CCC(C(=O)NCCCO)CC1)C(=O)[O-] ZINC001118325591 829069007 /nfs/dbraw/zinc/06/90/07/829069007.db2.gz JGJYZTRWIYNHQU-SNVBAGLBSA-N -1 0 315.370 -0.373 20 0 DBADRM COC(=O)NC1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC001118327101 829069014 /nfs/dbraw/zinc/06/90/14/829069014.db2.gz YDSKLSIKSMAXJF-VIFPVBQESA-N -1 0 315.326 -0.974 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl ZINC001118343913 829072686 /nfs/dbraw/zinc/07/26/86/829072686.db2.gz WOKSMPLZMKPJIU-ZCFIWIBFSA-N -1 0 312.153 -0.520 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCOc1ccc(C)cc1 ZINC001118345141 829073755 /nfs/dbraw/zinc/07/37/55/829073755.db2.gz QWCWNZLXBGTOKN-UHFFFAOYSA-N -1 0 323.349 -0.326 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC001118360368 829075587 /nfs/dbraw/zinc/07/55/87/829075587.db2.gz ZBHPAASYLNKGQS-GDPRMGEGSA-N -1 0 315.370 -0.654 20 0 DBADRM COCc1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)ncn1 ZINC001118481301 829090194 /nfs/dbraw/zinc/09/01/94/829090194.db2.gz YSSNFVMESXEBTK-UHFFFAOYSA-N -1 0 322.321 -0.067 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001118549277 829103864 /nfs/dbraw/zinc/10/38/64/829103864.db2.gz YEZHCBXCHGLHIO-NXEZZACHSA-N -1 0 311.338 -0.906 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1cnccc1C ZINC001118723426 829126622 /nfs/dbraw/zinc/12/66/22/829126622.db2.gz GCQGVBQLZPZUCX-UHFFFAOYSA-N -1 0 308.338 -0.767 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)c3cc(=O)n(C)[n-]3)CCN2C1=O ZINC001118723565 829126722 /nfs/dbraw/zinc/12/67/22/829126722.db2.gz JSLISGFYONWRPS-SECBINFHSA-N -1 0 307.310 -0.766 20 0 DBADRM CN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(C)(C)CC(=O)[O-] ZINC001118807461 829134380 /nfs/dbraw/zinc/13/43/80/829134380.db2.gz JLKGMAIQWUVMMJ-SREVYHEPSA-N -1 0 323.349 -0.191 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC(C)(c2ccccc2)C1 ZINC001118818885 829135670 /nfs/dbraw/zinc/13/56/70/829135670.db2.gz UVWWQGIOXVZTQD-UHFFFAOYSA-N -1 0 319.361 -0.030 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ncn(C)n1 ZINC001118862186 829141572 /nfs/dbraw/zinc/14/15/72/829141572.db2.gz VEUVRZHUROXTIQ-GUBZILKMSA-N -1 0 323.353 -0.439 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1Cc2cccc(OC)c2C1 ZINC001119179984 829231637 /nfs/dbraw/zinc/23/16/37/829231637.db2.gz NKIRVJIORURVQF-UHFFFAOYSA-N -1 0 321.333 -0.279 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[C@@H](C2CC2)O1 ZINC001119398482 829257520 /nfs/dbraw/zinc/25/75/20/829257520.db2.gz WWZXIRIYONXVRQ-HKWIRBFKSA-N -1 0 310.350 -0.008 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H](C)CSC)C1 ZINC001119393341 829257684 /nfs/dbraw/zinc/25/76/84/829257684.db2.gz WYVAQKDQQZSSGI-RNCFNFMXSA-N -1 0 318.395 -0.196 20 0 DBADRM CCO[N-]C(=O)CNC(=O)COCc1ocnc1C(=O)OC ZINC001119479725 829265998 /nfs/dbraw/zinc/26/59/98/829265998.db2.gz JNBYUAAEGUXBOB-UHFFFAOYSA-N -1 0 315.282 -0.838 20 0 DBADRM CO[C@]1(C(=O)[N-]OCc2cccnc2)CCS(=O)(=O)C1 ZINC001119529532 829271730 /nfs/dbraw/zinc/27/17/30/829271730.db2.gz CXGQEEGVFUICOK-GFCCVEGCSA-N -1 0 300.336 -0.167 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)/C=C/CN1CCOCC1)C2 ZINC001119537244 829272895 /nfs/dbraw/zinc/27/28/95/829272895.db2.gz LMFUFQSMDIZHIL-LEKDSDBISA-N -1 0 310.350 -0.566 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)C(=O)[O-])CC1)Cc1ccccc1 ZINC001119541350 829272976 /nfs/dbraw/zinc/27/29/76/829272976.db2.gz PBOFRLMXPSVWJJ-UHFFFAOYSA-N -1 0 319.361 -0.126 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)/C=C/[C@@H]1CCOC1 ZINC001119586604 829278268 /nfs/dbraw/zinc/27/82/68/829278268.db2.gz CPPYTHHNDZUVHY-ZIYVKSGCSA-N -1 0 312.366 -0.176 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)/C=C\[C@H]1CCOC1 ZINC001119586601 829278375 /nfs/dbraw/zinc/27/83/75/829278375.db2.gz CPPYTHHNDZUVHY-FYDYADQUSA-N -1 0 312.366 -0.176 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC001119598651 829280600 /nfs/dbraw/zinc/28/06/00/829280600.db2.gz ULQOJIUSNRFFPB-LLVKDONJSA-N -1 0 302.371 -0.097 20 0 DBADRM C[S@@](=O)CCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001119625386 829283858 /nfs/dbraw/zinc/28/38/58/829283858.db2.gz RWWJMZMZFAXIDO-OAQYLSRUSA-N -1 0 310.335 -0.066 20 0 DBADRM CN1CCCn2nc(C(=O)NCC(=O)CCC(=O)[O-])cc2C1 ZINC001175104106 833387498 /nfs/dbraw/zinc/38/74/98/833387498.db2.gz BYWRSVURFURAPI-UHFFFAOYSA-N -1 0 308.338 -0.118 20 0 DBADRM CN1CCCn2nc(C(=O)N[C@H]3SC(=O)[N-]C3=O)cc2C1 ZINC001175095168 833387587 /nfs/dbraw/zinc/38/75/87/833387587.db2.gz QYWAUHUETODBED-NSHDSACASA-N -1 0 309.351 -0.243 20 0 DBADRM COCCOCCN1CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC001119653581 829286675 /nfs/dbraw/zinc/28/66/75/829286675.db2.gz IAROMVKZNABAAM-OLZOCXBDSA-N -1 0 314.382 -0.096 20 0 DBADRM COCCOCCN1CCN(C(=O)[C@H](C)CC(=O)[O-])CC1 ZINC001119653823 829287120 /nfs/dbraw/zinc/28/71/20/829287120.db2.gz LTVAIELOZXPVSO-GFCCVEGCSA-N -1 0 302.371 -0.096 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC001119809197 829307687 /nfs/dbraw/zinc/30/76/87/829307687.db2.gz NCIUVGTXAUVWLB-ZCFIWIBFSA-N -1 0 312.153 -0.520 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCC[C@H]1CC(=O)N(C)C1 ZINC001119826275 829309669 /nfs/dbraw/zinc/30/96/69/829309669.db2.gz JBJNVPXXBGXJRJ-VIFPVBQESA-N -1 0 303.384 -0.618 20 0 DBADRM CCS[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC(=O)[N-]OC ZINC001119840866 829312062 /nfs/dbraw/zinc/31/20/62/829312062.db2.gz ORSFAXZBWYQLDS-ZJUUUORDSA-N -1 0 317.411 -0.039 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@H]1CCC2(CCOCC2)O1 ZINC001119846661 829313134 /nfs/dbraw/zinc/31/31/34/829313134.db2.gz CTAHQYBALRQDIG-LLVKDONJSA-N -1 0 316.354 -0.475 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1cccc(F)c1F ZINC001119895685 829319585 /nfs/dbraw/zinc/31/95/85/829319585.db2.gz NQTNQGVOVDUPOJ-UHFFFAOYSA-N -1 0 301.249 -0.625 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1Cc2cccc(OC)c2C1 ZINC001119924880 829323840 /nfs/dbraw/zinc/32/38/40/829323840.db2.gz GIVPEVCUOOMSGI-UHFFFAOYSA-N -1 0 307.306 -0.669 20 0 DBADRM COC[C@H]1CCCCN(C(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001119925514 829323934 /nfs/dbraw/zinc/32/39/34/829323934.db2.gz MECWZBUEQXOQEF-JTQLQIEISA-N -1 0 301.343 -0.945 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCOc2ccccc2C1 ZINC001119925909 829324287 /nfs/dbraw/zinc/32/42/87/829324287.db2.gz PTXWSFFCCFTLIA-UHFFFAOYSA-N -1 0 307.306 -0.799 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC[C@@H](C2CCOCC2)C1 ZINC001120191120 829340586 /nfs/dbraw/zinc/34/05/86/829340586.db2.gz SPVSGQMPEMYBNB-GFCCVEGCSA-N -1 0 324.385 -0.006 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cnc([O-])n(C)c1=O)Nc1ncccn1 ZINC001120399533 829362517 /nfs/dbraw/zinc/36/25/17/829362517.db2.gz NVAWPPUCDZUIAM-VIFPVBQESA-N -1 0 318.337 -0.152 20 0 DBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(F)cn1 ZINC001175848872 833397642 /nfs/dbraw/zinc/39/76/42/833397642.db2.gz VENWTKFXFLBHCZ-UHFFFAOYSA-N -1 0 316.274 -0.768 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Nc1cc(F)ncn1 ZINC001120928868 829411592 /nfs/dbraw/zinc/41/15/92/829411592.db2.gz QQFRLIDYWWSAAO-LURJTMIESA-N -1 0 323.288 -0.216 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)Nc2nccc(C)n2)c1[O-] ZINC001121454976 829484248 /nfs/dbraw/zinc/48/42/48/829484248.db2.gz MNWRDISZTFGDRL-VIFPVBQESA-N -1 0 306.326 -0.275 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)Nc2cc(C)ncn2)c1[O-] ZINC001121455446 829484555 /nfs/dbraw/zinc/48/45/55/829484555.db2.gz QAEIBZXGJJTNKN-VIFPVBQESA-N -1 0 306.326 -0.275 20 0 DBADRM COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)Cc1nnn[n-]1 ZINC001176837752 833421675 /nfs/dbraw/zinc/42/16/75/833421675.db2.gz FMBPTVYMHPCUPM-UHFFFAOYSA-N -1 0 308.254 -0.718 20 0 DBADRM O=C(COC1CCN(C(=O)Cc2nnn[n-]2)CC1)NC1CC1 ZINC001176840209 833422223 /nfs/dbraw/zinc/42/22/23/833422223.db2.gz HZXCAOVCEHPJOP-UHFFFAOYSA-N -1 0 308.342 -0.972 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001176842454 833423069 /nfs/dbraw/zinc/42/30/69/833423069.db2.gz IUBNBBBIKWOVHE-UHFFFAOYSA-N -1 0 307.289 -0.259 20 0 DBADRM CC(C)C(=O)N1CC[C@@H]2CN(C(=O)Cc3nnn[n-]3)CC[C@@H]21 ZINC001176840784 833423306 /nfs/dbraw/zinc/42/33/06/833423306.db2.gz NKXPXFODHGHXSO-MNOVXSKESA-N -1 0 306.370 -0.152 20 0 DBADRM CCCn1c(=O)cc(NC(=O)Cc2nnn[n-]2)n(CCC)c1=O ZINC001176844846 833424682 /nfs/dbraw/zinc/42/46/82/833424682.db2.gz GPCZUHTWSZHFEF-UHFFFAOYSA-N -1 0 321.341 -0.476 20 0 DBADRM CCS(=O)(=O)c1ccc(CNC(=O)Cc2nnn[n-]2)cc1 ZINC001176845299 833425335 /nfs/dbraw/zinc/42/53/35/833425335.db2.gz MVHCXHNBSIXVCK-UHFFFAOYSA-N -1 0 309.351 -0.148 20 0 DBADRM N=C(NC(=O)CCn1ccnc1)SCCS(=O)(=O)[O-] ZINC001176883733 833431089 /nfs/dbraw/zinc/43/10/89/833431089.db2.gz LYXCRSNASWIIJZ-UHFFFAOYSA-N -1 0 306.369 -0.055 20 0 DBADRM Cn1cc([C@@H]2[C@@H](C(=O)[N-]OCC3CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001123795696 829678518 /nfs/dbraw/zinc/67/85/18/829678518.db2.gz IPRXHSNLBJBSMT-IJLUTSLNSA-N -1 0 308.338 -0.632 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNc2ncccn2)c1[O-] ZINC001124310746 829737234 /nfs/dbraw/zinc/73/72/34/829737234.db2.gz WPZALTXWZYNMRA-SECBINFHSA-N -1 0 306.326 -0.241 20 0 DBADRM CCn1nc(C)c(CNCCNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001125734451 829875945 /nfs/dbraw/zinc/87/59/45/829875945.db2.gz QCSIKDKIMMZRAV-UHFFFAOYSA-N -1 0 307.358 -0.137 20 0 DBADRM CS(=O)(=O)N1CC(NC(=O)C(F)(F)C(F)(F)C(=O)[O-])C1 ZINC001180176440 833571946 /nfs/dbraw/zinc/57/19/46/833571946.db2.gz ALIOWWJNWXYCNG-UHFFFAOYSA-N -1 0 322.236 -0.898 20 0 DBADRM CCN1CCn2ncc(CNC(=O)Cn3c(=O)[n-][nH]c3=O)c2C1 ZINC001128571136 830098536 /nfs/dbraw/zinc/09/85/36/830098536.db2.gz IVFVWFRDNYTKIF-UHFFFAOYSA-N -1 0 321.341 -0.962 20 0 DBADRM C[C@H](NCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ncccn1 ZINC001130864973 830401706 /nfs/dbraw/zinc/40/17/06/830401706.db2.gz OACOGRMWBPBMBA-ZETCQYMHSA-N -1 0 305.298 -0.847 20 0 DBADRM Cc1noc([C@@H](C)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001130864953 830401797 /nfs/dbraw/zinc/40/17/97/830401797.db2.gz NCDWZXHXQWUQSD-RXMQYKEDSA-N -1 0 309.286 -0.945 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N(C)c2nnn[n-]2)c(F)c1 ZINC001130972333 830413637 /nfs/dbraw/zinc/41/36/37/830413637.db2.gz VQKHWFZEMOTCMJ-UHFFFAOYSA-N -1 0 303.261 -0.100 20 0 DBADRM Cc1csc(CNCCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001132242683 830613328 /nfs/dbraw/zinc/61/33/28/830613328.db2.gz YQMYLNZNQZLCRG-UHFFFAOYSA-N -1 0 323.378 -0.230 20 0 DBADRM CC(C)[C@@H](C)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001181470893 833633310 /nfs/dbraw/zinc/63/33/10/833633310.db2.gz GMIJVTSLEGTFRN-RXMQYKEDSA-N -1 0 319.343 -0.359 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCS(=O)(=O)[O-] ZINC001181602436 833637395 /nfs/dbraw/zinc/63/73/95/833637395.db2.gz UWPYYZDCVDUNNY-LBPRGKRZSA-N -1 0 312.347 -0.079 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1CO[N-]C1=O ZINC001181601092 833637439 /nfs/dbraw/zinc/63/74/39/833637439.db2.gz MIYXUHHMPAHICS-CHWSQXEVSA-N -1 0 303.318 -0.494 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1ccc(=O)[nH]n1 ZINC001181706218 833641420 /nfs/dbraw/zinc/64/14/20/833641420.db2.gz RQWFWHBAEUAQAZ-QMMMGPOBSA-N -1 0 320.286 -0.026 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC001134414871 830935157 /nfs/dbraw/zinc/93/51/57/830935157.db2.gz SRHALKYPHGESID-MRVPVSSYSA-N -1 0 318.326 -0.218 20 0 DBADRM CNC(=O)COc1cccc(CC(=O)NCC(=O)[N-]OC)c1 ZINC001134417148 830935458 /nfs/dbraw/zinc/93/54/58/830935458.db2.gz KPYNCYKGVSLJRC-UHFFFAOYSA-N -1 0 309.322 -0.852 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(-n2nnnc2C)cc1F ZINC001134634898 830959731 /nfs/dbraw/zinc/95/97/31/830959731.db2.gz NFVCOTVOKHPXQK-UHFFFAOYSA-N -1 0 308.273 -0.483 20 0 DBADRM CC(=O)N[C@H](C(=O)N[C@@H]1CO[N-]C1=O)[C@@H](C)OC(C)(C)C ZINC001183959336 833743354 /nfs/dbraw/zinc/74/33/54/833743354.db2.gz JSIFWBWCEJEMLL-QNSHHTMESA-N -1 0 301.343 -0.759 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)c3c[n-]ncc3=O)CCN2C1=O ZINC001137226121 831169051 /nfs/dbraw/zinc/16/90/51/831169051.db2.gz BZEDPZPLFJOFRU-SECBINFHSA-N -1 0 305.294 -0.709 20 0 DBADRM O=C(N[C@@H]1CCC(=O)NC1=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001137664381 831170838 /nfs/dbraw/zinc/17/08/38/831170838.db2.gz YOVMFOLNMAVAQI-SECBINFHSA-N -1 0 316.273 -0.435 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@H]2CCCC(=O)N2)ccc1[O-] ZINC001137940777 831172558 /nfs/dbraw/zinc/17/25/58/831172558.db2.gz LCLVNFPADARHRM-MRVPVSSYSA-N -1 0 313.335 -0.353 20 0 DBADRM C[C@@H](C(=O)[N-]OCC(N)=O)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001137887784 831172797 /nfs/dbraw/zinc/17/27/97/831172797.db2.gz WCCVMEWAYABOKX-RKDXNWHRSA-N -1 0 319.358 -0.617 20 0 DBADRM C[C@H](C(=O)[N-]OCC(N)=O)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001137887782 831172845 /nfs/dbraw/zinc/17/28/45/831172845.db2.gz WCCVMEWAYABOKX-DTWKUNHWSA-N -1 0 319.358 -0.617 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001138652719 831176443 /nfs/dbraw/zinc/17/64/43/831176443.db2.gz JITYAANPWJMEFE-VIFPVBQESA-N -1 0 306.326 -0.555 20 0 DBADRM COC(=O)[C@@H]1C(=O)NCCN1Cc1ccc(OCC(=O)[O-])cc1 ZINC001138929818 831177635 /nfs/dbraw/zinc/17/76/35/831177635.db2.gz QOXOBOKTJADSOP-ZDUSSCGKSA-N -1 0 322.317 -0.377 20 0 DBADRM CCN(CCOCCO)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001138829732 831177869 /nfs/dbraw/zinc/17/78/69/831177869.db2.gz QVEMUCYPWLHXFU-UHFFFAOYSA-N -1 0 302.331 -0.673 20 0 DBADRM O=C(c1cnc2cccnn21)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001138991041 831177880 /nfs/dbraw/zinc/17/78/80/831177880.db2.gz HSLPIXZYXZLHJH-UHFFFAOYSA-N -1 0 314.309 -0.634 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC(F)(F)Br ZINC001140187304 831184548 /nfs/dbraw/zinc/18/45/48/831184548.db2.gz MLEGDWZSIFOASL-UHFFFAOYSA-N -1 0 301.047 -0.207 20 0 DBADRM CC(=O)N1CC(=O)NC[C@]12CC[N@H+](Cc1ccncc1O)C2 ZINC001140276720 831185249 /nfs/dbraw/zinc/18/52/49/831185249.db2.gz RELADMFMQJYJQF-HNNXBMFYSA-N -1 0 304.350 -0.290 20 0 DBADRM CONC(=O)c1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1CCO ZINC001141423038 831191155 /nfs/dbraw/zinc/19/11/55/831191155.db2.gz HOSPETPVEQGDMF-UHFFFAOYSA-N -1 0 307.310 -0.602 20 0 DBADRM Cn1ccc(CC(=O)NC(=N)SCCS(=O)(=O)[O-])n1 ZINC001142081504 831199800 /nfs/dbraw/zinc/19/98/00/831199800.db2.gz FHNOLEJINWSZKH-UHFFFAOYSA-N -1 0 306.369 -0.365 20 0 DBADRM Cc1cn(CC(=O)NCCCC[P@@](=O)([O-])O)c(=O)[nH]c1=O ZINC001142322557 831210120 /nfs/dbraw/zinc/21/01/20/831210120.db2.gz UZAVBOBGERKSPD-UHFFFAOYSA-N -1 0 319.254 -0.669 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)C(F)(F)F ZINC001142770366 831218650 /nfs/dbraw/zinc/21/86/50/831218650.db2.gz FCHLOHFGVJWHTJ-ZETCQYMHSA-N -1 0 322.243 -0.410 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)C[N-]C(=O)C(F)(F)F ZINC001142770244 831218956 /nfs/dbraw/zinc/21/89/56/831218956.db2.gz VWQIZSFFOJJHLO-VIFPVBQESA-N -1 0 317.267 -0.122 20 0 DBADRM COC1(OC)CCN(C(=O)c2c[n-]n3c2nccc3=O)C[C@@H]1O ZINC001142922250 831222264 /nfs/dbraw/zinc/22/22/64/831222264.db2.gz ZJTZIFUBAOCOCP-JTQLQIEISA-N -1 0 322.321 -0.782 20 0 DBADRM CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)C(=O)[O-])C2)O1 ZINC001143419051 831236747 /nfs/dbraw/zinc/23/67/47/831236747.db2.gz IRRKOOVNFVOTNS-QMTHXVAHSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])C(=O)N1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC001143419442 831237077 /nfs/dbraw/zinc/23/70/77/831237077.db2.gz MQZCMYNJUWSNJX-LOWVWBTDSA-N -1 0 310.350 -0.007 20 0 DBADRM CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)C(=O)[O-])C2)C1=O ZINC001143419289 831237223 /nfs/dbraw/zinc/23/72/23/831237223.db2.gz JYABBDAFGHTPGH-AWEZNQCLSA-N -1 0 311.338 -1.000 20 0 DBADRM O=C(NCCn1ccnn1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001143636667 831241878 /nfs/dbraw/zinc/24/18/78/831241878.db2.gz ZTQZDSJQYFPZJL-UHFFFAOYSA-N -1 0 315.293 -0.712 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001143974522 831244840 /nfs/dbraw/zinc/24/48/40/831244840.db2.gz RHVYPOMBPGNGPO-LLVKDONJSA-N -1 0 300.322 -0.135 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001144319982 831249071 /nfs/dbraw/zinc/24/90/71/831249071.db2.gz ROKJSCJTHZZPFD-QMMMGPOBSA-N -1 0 323.396 -0.331 20 0 DBADRM O=C(CCc1nnn[n-]1)NCc1ccc(-c2nncnn2)cc1 ZINC001144645139 831257910 /nfs/dbraw/zinc/25/79/10/831257910.db2.gz KZZIWXMPWHKNTN-UHFFFAOYSA-N -1 0 311.309 -0.304 20 0 DBADRM COc1cccc(C[C@H]([NH3+])C(=O)NCCOP(=O)([O-])[O-])c1 ZINC001144943301 831262942 /nfs/dbraw/zinc/26/29/42/831262942.db2.gz RQIIAPSCZBEUHF-NSHDSACASA-N -1 0 318.266 -0.210 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CO[N-]C1=O)C(C)(C)O ZINC001146279290 831274766 /nfs/dbraw/zinc/27/47/66/831274766.db2.gz JFUFGVFFXSWVBG-HTQZYQBOSA-N -1 0 317.342 -0.803 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001146858102 831302352 /nfs/dbraw/zinc/30/23/52/831302352.db2.gz CMKFUWAZIKFDRI-CBAPKCEASA-N -1 0 316.339 -0.831 20 0 DBADRM CO[C@@H](C)CC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001147173215 831344086 /nfs/dbraw/zinc/34/40/86/831344086.db2.gz JFAMUUYPMHCWRY-JTQLQIEISA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1c[nH]c(=O)cn1 ZINC001147625017 831388524 /nfs/dbraw/zinc/38/85/24/831388524.db2.gz DTIXQFFQIVAXJU-UHFFFAOYSA-N -1 0 320.286 -0.546 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cnoc2C2CC2)C(=O)N1S(=O)(=O)[O-] ZINC001147666368 831393627 /nfs/dbraw/zinc/39/36/27/831393627.db2.gz RITYBRILIMJPNK-XNCJUZBTSA-N -1 0 315.307 -0.316 20 0 DBADRM Cn1ncnc1CNCCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001147705240 831401063 /nfs/dbraw/zinc/40/10/63/831401063.db2.gz FKXQEMLRMYZQOR-UHFFFAOYSA-N -1 0 317.309 -0.424 20 0 DBADRM Cc1nnc(CNCCNC(=O)c2ccc3oc(=O)nc-3[n-]2)[nH]1 ZINC001147704835 831401222 /nfs/dbraw/zinc/40/12/22/831401222.db2.gz AFRUQDDCSKNKQK-UHFFFAOYSA-N -1 0 317.309 -0.125 20 0 DBADRM CSCC[C@H](NC(=O)[C@@]1(C)CCN(C)C1=O)c1nnn[n-]1 ZINC001148260780 831442182 /nfs/dbraw/zinc/44/21/82/831442182.db2.gz KXXWVXDYOJONSW-QPUJVOFHSA-N -1 0 312.399 -0.022 20 0 DBADRM N=C(NC(=O)Cc1ncccn1)SCCS(=O)(=O)[O-] ZINC001177379894 833465179 /nfs/dbraw/zinc/46/51/79/833465179.db2.gz TXBBOFZRWVHVLW-UHFFFAOYSA-N -1 0 304.353 -0.309 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CC(=O)N(c2nccs2)C1 ZINC001177336132 833463509 /nfs/dbraw/zinc/46/35/09/833463509.db2.gz XGWBMSVVEWZYHZ-ZCFIWIBFSA-N -1 0 308.323 -0.364 20 0 DBADRM O=C(CCO)CNC(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148927212 831479064 /nfs/dbraw/zinc/47/90/64/831479064.db2.gz IHUYOHALVYKHDR-UHFFFAOYSA-N -1 0 303.292 -0.680 20 0 DBADRM CN(C[C@@H](O)CO)C(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148916880 831479210 /nfs/dbraw/zinc/47/92/10/831479210.db2.gz GKNYPSMGTCOJBU-SSDOTTSWSA-N -1 0 305.308 -0.936 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)[O-])ccc2O)C1 ZINC001148918076 831479397 /nfs/dbraw/zinc/47/93/97/831479397.db2.gz JLUHRDYGVXSDGH-SSDOTTSWSA-N -1 0 314.319 -0.414 20 0 DBADRM CC(C)(F)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001149027446 831485937 /nfs/dbraw/zinc/48/59/37/831485937.db2.gz GOKCVOVOVSJSMG-SECBINFHSA-N -1 0 315.349 -0.035 20 0 DBADRM Cc1cnc([C@H](C)NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001149160768 831501781 /nfs/dbraw/zinc/50/17/81/831501781.db2.gz DUVGAZGYGXCMQB-QMMMGPOBSA-N -1 0 310.314 -0.547 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNCc1coc(C2CC2)n1 ZINC001149161498 831503051 /nfs/dbraw/zinc/50/30/51/831503051.db2.gz VZUSWTDWBOIJRS-UHFFFAOYSA-N -1 0 322.325 -0.539 20 0 DBADRM O=C(NCCCC[P@](=O)([O-])O)C1=CN2NC=CC=C2N1 ZINC001149443280 831533643 /nfs/dbraw/zinc/53/36/43/831533643.db2.gz BYIKTZNHNBSBOU-UHFFFAOYSA-N -1 0 300.255 -0.320 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NOCCN1CCCC1=O ZINC001149451983 831534296 /nfs/dbraw/zinc/53/42/96/831534296.db2.gz MEAVNBUETYBCOQ-UHFFFAOYSA-N -1 0 313.314 -0.860 20 0 DBADRM O=C(CCCF)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001150099540 831591737 /nfs/dbraw/zinc/59/17/37/831591737.db2.gz HAPWBSARTKIDDT-SNVBAGLBSA-N -1 0 315.349 -0.033 20 0 DBADRM C[C@H]1Oc2cc(C(=O)NCS(=O)(=O)[O-])ccc2NC1=O ZINC001151208226 831672323 /nfs/dbraw/zinc/67/23/23/831672323.db2.gz BGPVSHGRSKOCFH-ZCFIWIBFSA-N -1 0 300.292 -0.019 20 0 DBADRM O=C(N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)[C@H]1CC(=O)N1 ZINC001151369947 831680943 /nfs/dbraw/zinc/68/09/43/831680943.db2.gz KXJXPKSUKIBJOD-NXEZZACHSA-N -1 0 301.306 -0.201 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cccn3ccnc23)C(=O)N1S(=O)(=O)[O-] ZINC001151479094 831688425 /nfs/dbraw/zinc/68/84/25/831688425.db2.gz LOGUGZPYMSNFHC-CBAPKCEASA-N -1 0 324.318 -0.534 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)C1=COCCO1 ZINC001151698652 831700894 /nfs/dbraw/zinc/70/08/94/831700894.db2.gz OEQQNNCWAKRYJE-SECBINFHSA-N -1 0 311.342 -0.275 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)NCC[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001151876892 831715173 /nfs/dbraw/zinc/71/51/73/831715173.db2.gz LNLFVNFCXAQESH-KWQFWETISA-N -1 0 312.374 -0.733 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1ccnn1C ZINC001152307455 831740044 /nfs/dbraw/zinc/74/00/44/831740044.db2.gz CNUHUDAEZSHUNC-SECBINFHSA-N -1 0 307.358 -0.116 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1nnn(C)c1C ZINC001152597234 831763038 /nfs/dbraw/zinc/76/30/38/831763038.db2.gz QUUONPOOCMLFAA-MRVPVSSYSA-N -1 0 322.373 -0.412 20 0 DBADRM Nc1c(=O)c(=O)c1NC(=O)c1sc(C(=O)[O-])c2c1OCCO2 ZINC001152697966 831769165 /nfs/dbraw/zinc/76/91/65/831769165.db2.gz MMLAXVDDWWOCMQ-UHFFFAOYSA-N -1 0 324.270 -0.352 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)C2=COCCO2)ccc1[O-] ZINC001153027969 831786963 /nfs/dbraw/zinc/78/69/63/831786963.db2.gz RZSDUZDZOGDBRT-UHFFFAOYSA-N -1 0 300.292 -0.134 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)CO[C@H]2CCOC2)ccc1[O-] ZINC001153033321 831787209 /nfs/dbraw/zinc/78/72/09/831787209.db2.gz QRYUBHMHFAXBPC-VIFPVBQESA-N -1 0 316.335 -0.216 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1 ZINC001153032777 831788103 /nfs/dbraw/zinc/78/81/03/831788103.db2.gz LXAJBVDDRFNUOZ-QMMMGPOBSA-N -1 0 313.335 -0.401 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cnc2ccnn2c1 ZINC001153059083 831788631 /nfs/dbraw/zinc/78/86/31/831788631.db2.gz TXFBHKVCVGAMPO-VIFPVBQESA-N -1 0 306.278 -0.135 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](O)C(F)(F)C(F)(F)F ZINC001153276566 831800589 /nfs/dbraw/zinc/80/05/89/831800589.db2.gz IVZNTPKXJAZMKU-VKHMYHEASA-N -1 0 320.174 -0.636 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC=C[C@@H]3CO)cc2=O)n1 ZINC001153292013 831801091 /nfs/dbraw/zinc/80/10/91/831801091.db2.gz JLFYXLDALYJKIY-LLVKDONJSA-N -1 0 315.333 -0.055 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001153689217 831824582 /nfs/dbraw/zinc/82/45/82/831824582.db2.gz ZSFXKNLVPAQPPX-ZJUUUORDSA-N -1 0 324.385 -0.685 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)C[C@@H]1CCNC1=O ZINC001153799050 831835735 /nfs/dbraw/zinc/83/57/35/831835735.db2.gz HMNZBNCFZCNORO-ZJUUUORDSA-N -1 0 324.385 -0.637 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001154448050 831879215 /nfs/dbraw/zinc/87/92/15/831879215.db2.gz FHYFCBUGZVPPFQ-YMTOWFKASA-N -1 0 324.385 -0.637 20 0 DBADRM COC(=O)c1cccc2n[nH]c(C(=O)NCc3nnn[n-]3)c21 ZINC001154609210 831891393 /nfs/dbraw/zinc/89/13/93/831891393.db2.gz TXLCKDFLJYXRQT-UHFFFAOYSA-N -1 0 301.266 -0.207 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NCCS(C)(=O)=O)nc1 ZINC001154932239 831908787 /nfs/dbraw/zinc/90/87/87/831908787.db2.gz WWYUQTIOPDYETF-UHFFFAOYSA-N -1 0 321.380 -0.637 20 0 DBADRM COCCOc1cncc(C(=O)N[C@@H](COC)c2nnn[n-]2)c1 ZINC001155070484 831915053 /nfs/dbraw/zinc/91/50/53/831915053.db2.gz XJZOGBPHQNVZOQ-NSHDSACASA-N -1 0 322.325 -0.263 20 0 DBADRM CNC(=O)C1(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)CCC1 ZINC001155134420 831918869 /nfs/dbraw/zinc/91/88/69/831918869.db2.gz HRNAYEIBKSQINS-SNVBAGLBSA-N -1 0 306.370 -0.103 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1ccnnc1 ZINC001155430508 831932566 /nfs/dbraw/zinc/93/25/66/831932566.db2.gz WLXVEJBRDMJMQZ-SECBINFHSA-N -1 0 305.342 -0.059 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001155470834 831934742 /nfs/dbraw/zinc/93/47/42/831934742.db2.gz QXDGLFKKOINSNX-SECBINFHSA-N -1 0 307.358 -0.197 20 0 DBADRM O=C(NC1C(=O)N=CN=C1[O-])c1ccc2c(n1)NC(=O)CO2 ZINC001155723544 831948045 /nfs/dbraw/zinc/94/80/45/831948045.db2.gz IMSVQDQTIVBFFJ-UHFFFAOYSA-N -1 0 303.234 -0.134 20 0 DBADRM O=C(C[C@H]1CC(=O)NC1=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001155746701 831950284 /nfs/dbraw/zinc/95/02/84/831950284.db2.gz YJYBALYQIMIIAR-HTQZYQBOSA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@@H]1C(=O)Nc2cnc(N[C@H]3SC(=O)[N-]C3=O)nc2N1C ZINC001155842434 831955261 /nfs/dbraw/zinc/95/52/61/831955261.db2.gz LNWJUWBJDULCFQ-MOFOKWOHSA-N -1 0 308.323 -0.026 20 0 DBADRM CN1CCN(c2nccc(N[C@@H]3SC(=O)[N-]C3=O)n2)CC1 ZINC001155845000 831955426 /nfs/dbraw/zinc/95/54/26/831955426.db2.gz WUMMYIDPXOSLSA-SNVBAGLBSA-N -1 0 308.367 -0.051 20 0 DBADRM O=C(NCc1cccnn1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001155858885 831956705 /nfs/dbraw/zinc/95/67/05/831956705.db2.gz RYSVSQMIGQWDKQ-UHFFFAOYSA-N -1 0 312.289 -0.014 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)Cc1nonc1C ZINC001156120977 831969801 /nfs/dbraw/zinc/96/98/01/831969801.db2.gz XNQKGWFPZBXJDC-MRVPVSSYSA-N -1 0 323.357 -0.229 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cccc2nc[nH]c(=O)c21 ZINC001156139819 831971060 /nfs/dbraw/zinc/97/10/60/831971060.db2.gz HKJBDEVQUVERPY-UHFFFAOYSA-N -1 0 301.262 -0.016 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)Cc1cncn1C ZINC001156383172 831982385 /nfs/dbraw/zinc/98/23/85/831982385.db2.gz GVJREHIQPYWJLM-SNVBAGLBSA-N -1 0 321.385 -0.187 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N[C@H]2CCN(C)C2=O)nc1 ZINC001156508128 831986815 /nfs/dbraw/zinc/98/68/15/831986815.db2.gz LRSIOABFHARDGL-JTQLQIEISA-N -1 0 312.351 -0.451 20 0 DBADRM O=C(NCCO[C@H]1CCOC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001156519609 831988304 /nfs/dbraw/zinc/98/83/04/831988304.db2.gz KCPQOVUUACJPKY-VIFPVBQESA-N -1 0 320.305 -0.029 20 0 DBADRM NC(=O)c1ccc(C(F)(F)N[C@@H]2CO[N-]C2=O)nc1Cl ZINC001156685699 831994557 /nfs/dbraw/zinc/99/45/57/831994557.db2.gz NTQRWRHAYFTQMS-RXMQYKEDSA-N -1 0 306.656 -0.097 20 0 DBADRM NC(=O)c1cc(Cl)ncc1C(F)(F)N[C@@H]1CO[N-]C1=O ZINC001156695015 831994980 /nfs/dbraw/zinc/99/49/80/831994980.db2.gz KPRQUXNSDSQOQS-ZCFIWIBFSA-N -1 0 306.656 -0.097 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1ccn(C)n1 ZINC001156896578 832009533 /nfs/dbraw/zinc/00/95/33/832009533.db2.gz PGFPQWSALUMFNP-SECBINFHSA-N -1 0 307.358 -0.116 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCCn1cccnc1=O ZINC001157003543 832015486 /nfs/dbraw/zinc/01/54/86/832015486.db2.gz HURKMAQKQZHSSL-UHFFFAOYSA-N -1 0 310.339 -0.634 20 0 DBADRM COc1cnc(Cl)nc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001157067532 832018864 /nfs/dbraw/zinc/01/88/64/832018864.db2.gz FEFFSWAIHGZCFP-NJGYIYPDSA-N -1 0 322.730 -0.047 20 0 DBADRM COCOc1ccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc1 ZINC001157070641 832019027 /nfs/dbraw/zinc/01/90/27/832019027.db2.gz IXBUKODXHRQNHD-XVKPBYJWSA-N -1 0 317.323 -0.122 20 0 DBADRM COc1cc(C)nc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157071773 832019378 /nfs/dbraw/zinc/01/93/78/832019378.db2.gz WPZKFUYDPLZHSX-XPUUQOCRSA-N -1 0 302.312 -0.392 20 0 DBADRM OC[C@H]1C[C@@H](Nc2nc[n-]c3nc(=S)sc2-3)[C@H](O)[C@@H]1O ZINC001157279255 832031128 /nfs/dbraw/zinc/03/11/28/832031128.db2.gz WJCGILSEUVEPTC-GBNDHIKLSA-N -1 0 314.392 -0.111 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)Cn2cncn2)ccc1[O-] ZINC001157362537 832038923 /nfs/dbraw/zinc/03/89/23/832038923.db2.gz QSZXKRACOOQSCB-UHFFFAOYSA-N -1 0 311.323 -0.470 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC001157837449 832066366 /nfs/dbraw/zinc/06/63/66/832066366.db2.gz YIAGEPCQRATKKI-AWEZNQCLSA-N -1 0 320.305 -0.851 20 0 DBADRM O=C([O-])Cc1nccnc1N1CCN(c2ncncn2)CC1 ZINC001157856405 832067070 /nfs/dbraw/zinc/06/70/70/832067070.db2.gz FWARSGZCFMGTTR-UHFFFAOYSA-N -1 0 301.310 -0.385 20 0 DBADRM NC(=O)[C@@H](CO)NC(F)(F)c1cc(Cl)nnc1C(=O)[O-] ZINC001158443213 832113256 /nfs/dbraw/zinc/11/32/56/832113256.db2.gz HMDVDZSTUSRUAY-SCSAIBSYSA-N -1 0 310.644 -0.687 20 0 DBADRM CN(CCF)C[C@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001158806640 832139293 /nfs/dbraw/zinc/13/92/93/832139293.db2.gz MLHRTYJUVMNKIK-SNVBAGLBSA-N -1 0 315.349 -0.028 20 0 DBADRM Cc1ncc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])cn1 ZINC001185653236 833803960 /nfs/dbraw/zinc/80/39/60/833803960.db2.gz DDIJIPSTKOCTSL-UHFFFAOYSA-N -1 0 302.231 -0.728 20 0 DBADRM C[C@H]1CC[C@@H](CO)CN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185652661 833803966 /nfs/dbraw/zinc/80/39/66/833803966.db2.gz ABMOSOCWURSIDS-DTWKUNHWSA-N -1 0 322.302 -0.845 20 0 DBADRM C[C@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C2(CC2)C1 ZINC001185657433 833804409 /nfs/dbraw/zinc/80/44/09/833804409.db2.gz WORXPFRWJPFPDG-MRVPVSSYSA-N -1 0 304.287 -0.064 20 0 DBADRM CC(C)[C@@H]1COCCN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657515 833804417 /nfs/dbraw/zinc/80/44/17/833804417.db2.gz XGFXUBOEJWMILF-VIFPVBQESA-N -1 0 322.302 -0.581 20 0 DBADRM CN(CC(=O)NC[C@@H]1CC(C)(C)O1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663369 833804438 /nfs/dbraw/zinc/80/44/38/833804438.db2.gz KNLOPGBTALZCMD-ZETCQYMHSA-N -1 0 308.275 -0.781 20 0 DBADRM CN(CC(=O)N[C@@H]1CCCC[C@H]1F)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662743 833804634 /nfs/dbraw/zinc/80/46/34/833804634.db2.gz FJMFTVPLVVRVIX-HTQZYQBOSA-N -1 0 310.266 -0.068 20 0 DBADRM CN(CC(=O)N1CCn2cccc2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657152 833804930 /nfs/dbraw/zinc/80/49/30/833804930.db2.gz NHPRZJFIHOLHPC-UHFFFAOYSA-N -1 0 315.270 -0.621 20 0 DBADRM CN(CC(=O)N[C@@]1(C)CCCOC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185667944 833805447 /nfs/dbraw/zinc/80/54/47/833805447.db2.gz RWWGDPHLTIPHGR-JTQLQIEISA-N -1 0 308.275 -0.779 20 0 DBADRM COCCCN1CC[C@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001269577193 832451795 /nfs/dbraw/zinc/45/17/95/832451795.db2.gz GQCLOHZQGCDBBP-CQSZACIVSA-N -1 0 322.369 -0.628 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@]2(CCN(CC(F)F)C2=O)C1 ZINC001269578110 832452314 /nfs/dbraw/zinc/45/23/14/832452314.db2.gz SJXHXRYUNUTNCR-GFCCVEGCSA-N -1 0 314.296 -0.542 20 0 DBADRM NC(=O)C1=NO[C@@H]2CN(C(=O)c3c(F)cc([O-])cc3F)C[C@H]12 ZINC001269766520 832468082 /nfs/dbraw/zinc/46/80/82/832468082.db2.gz GKCAXKDGBKCGTF-IMTBSYHQSA-N -1 0 311.244 -0.018 20 0 DBADRM O=C(Cc1nnn[n-]1)N1C[C@@H]2OCCN(Cc3ccc[nH]3)[C@H]2C1 ZINC001270182735 832508956 /nfs/dbraw/zinc/50/89/56/832508956.db2.gz MAZBXMFCLIOWFK-RYUDHWBXSA-N -1 0 317.353 -0.818 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC2(CCN2Cc2cccc(=O)[nH]2)C1 ZINC001270182670 832509111 /nfs/dbraw/zinc/50/91/11/832509111.db2.gz JJKBIYTZLIAACR-UHFFFAOYSA-N -1 0 315.337 -0.670 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC2(C1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC001270182277 832509309 /nfs/dbraw/zinc/50/93/09/832509309.db2.gz BBHIPHHYXYVNMR-UHFFFAOYSA-N -1 0 302.342 -0.800 20 0 DBADRM COCCOCN1CC2(C1)CCCN(C(=O)Cc1nnn[n-]1)C2 ZINC001270182754 832510660 /nfs/dbraw/zinc/51/06/60/832510660.db2.gz MLDLZGSILLZYAT-UHFFFAOYSA-N -1 0 324.385 -0.713 20 0 DBADRM CN1C[C@]2(CCN(C(=O)C[N-]C(=O)C(F)(F)F)C2)OCC1=O ZINC001270669170 832563888 /nfs/dbraw/zinc/56/38/88/832563888.db2.gz GGEIXPCUPYDXNN-NSHDSACASA-N -1 0 323.271 -0.875 20 0 DBADRM CCN(C(=O)[C@@]12C[C@@H]1CCN2C(=O)Cc1nnn[n-]1)C(C)C ZINC001270787896 832578219 /nfs/dbraw/zinc/57/82/19/832578219.db2.gz AGYRLVCLQJXPGR-IINYFYTJSA-N -1 0 306.370 -0.010 20 0 DBADRM CN(C)C(=O)c1ccc2c(n1)CCN(C(=O)Cc1nnn[n-]1)C2 ZINC001270790003 832579091 /nfs/dbraw/zinc/57/90/91/832579091.db2.gz ZHKDXCKZVLVWJE-UHFFFAOYSA-N -1 0 315.337 -0.576 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270939450 832598565 /nfs/dbraw/zinc/59/85/65/832598565.db2.gz VYZHUQWMJNWUPN-UFBFGSQYSA-N -1 0 310.383 -0.534 20 0 DBADRM NC(=O)C1=CC2(CC1)CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001270938291 832598647 /nfs/dbraw/zinc/59/86/47/832598647.db2.gz CKOJVMHTHWGJSV-UHFFFAOYSA-N -1 0 322.394 -0.224 20 0 DBADRM C=C(F)C(=O)N1CCc2onc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001270946946 832599953 /nfs/dbraw/zinc/59/99/53/832599953.db2.gz VUHGFKWWPFJTEG-UHFFFAOYSA-N -1 0 321.272 -0.760 20 0 DBADRM C[C@@]1(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)CC=CCC1 ZINC001271288958 832652417 /nfs/dbraw/zinc/65/24/17/832652417.db2.gz CGFHHYUVDJSBKA-CQSZACIVSA-N -1 0 321.381 -0.080 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001271383973 832663419 /nfs/dbraw/zinc/66/34/19/832663419.db2.gz FYOXAPVFIHUVSM-BQBZGAKWSA-N -1 0 316.325 -0.894 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)[C@H]2CCC(=O)NC2=O)c1[O-] ZINC001271997732 832729647 /nfs/dbraw/zinc/72/96/47/832729647.db2.gz DQUNPDNXDSQPAV-VIFPVBQESA-N -1 0 323.353 -0.767 20 0 DBADRM CN(C)C(=O)[C@H]1CC12CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001272262571 832764119 /nfs/dbraw/zinc/76/41/19/832764119.db2.gz AWONYJSSLXNANY-SSDOTTSWSA-N -1 0 307.272 -0.398 20 0 DBADRM NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C[N-]C(=O)C(F)(F)F ZINC001272265948 832764874 /nfs/dbraw/zinc/76/48/74/832764874.db2.gz YWPDFSDWOMVRFE-CRYJXSNHSA-N -1 0 307.272 -0.319 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCC2(CCN(C3COC3)C2=O)CC1 ZINC001272286897 832767888 /nfs/dbraw/zinc/76/78/88/832767888.db2.gz SVTJKCSOTSNQAH-UHFFFAOYSA-N -1 0 320.349 -0.031 20 0 DBADRM Cn1[n-]c(C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3C2COC2)cc1=O ZINC001272355964 832775290 /nfs/dbraw/zinc/77/52/90/832775290.db2.gz PMAPMGGECKAJJD-VXGBXAGGSA-N -1 0 320.349 -0.270 20 0 DBADRM Cn1cnc(CCNC(=O)c2cccc(-n3[n-]nnc3=N)c2)c1 ZINC001161167299 832987449 /nfs/dbraw/zinc/98/74/49/832987449.db2.gz SGJXHGPUMPPNKN-UHFFFAOYSA-N -1 0 312.337 -0.219 20 0 DBADRM Cc1cccnc1CC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001177461959 833470185 /nfs/dbraw/zinc/47/01/85/833470185.db2.gz ZZOMARSYYHUULB-KWQFWETISA-N -1 0 313.335 -0.549 20 0 DBADRM C[C@H]1[C@H](NC(=O)/C=C/c2nccs2)C(=O)N1S(=O)(=O)[O-] ZINC001177526906 833473173 /nfs/dbraw/zinc/47/31/73/833473173.db2.gz XAHOOCATMHRAQI-HXXVJVBGSA-N -1 0 317.348 -0.325 20 0 DBADRM O=C(COc1ncc(Br)cn1)N[C@@H]1CO[N-]C1=O ZINC001177579819 833474582 /nfs/dbraw/zinc/47/45/82/833474582.db2.gz YPPAYMWHGCNZIX-ZCFIWIBFSA-N -1 0 317.099 -0.836 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001177736642 833480581 /nfs/dbraw/zinc/48/05/81/833480581.db2.gz XNFHHAJDOOOFQF-UHFFFAOYSA-N -1 0 324.288 -0.805 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001177739117 833481066 /nfs/dbraw/zinc/48/10/66/833481066.db2.gz MCIHFGHKUSDMSK-UHFFFAOYSA-N -1 0 324.366 -0.993 20 0 DBADRM COC[C@H](NC(=O)Cn1nn[n-]c1=S)[C@@H](O)c1ccccc1 ZINC001177743832 833481544 /nfs/dbraw/zinc/48/15/44/833481544.db2.gz PIWOMHRIFUJFBY-JQWIXIFHSA-N -1 0 323.378 -0.173 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NC[C@@H](O)COc1ccccc1 ZINC001177744031 833481578 /nfs/dbraw/zinc/48/15/78/833481578.db2.gz QFHXPIBRBWFDDO-SECBINFHSA-N -1 0 309.351 -0.482 20 0 DBADRM COC(=O)[C@@H](Cc1cccnc1)NC(=O)Cn1nn[n-]c1=S ZINC001177746124 833481610 /nfs/dbraw/zinc/48/16/10/833481610.db2.gz RICCKYOBZZVXMH-SECBINFHSA-N -1 0 322.350 -0.743 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NC[C@@H](CO)Cc1ccccc1 ZINC001177743998 833481647 /nfs/dbraw/zinc/48/16/47/833481647.db2.gz PNDIQKXCRPBVNE-NSHDSACASA-N -1 0 307.379 -0.071 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)cn1)N1CCCn2nncc2C1 ZINC001178035114 833488778 /nfs/dbraw/zinc/48/87/78/833488778.db2.gz CXBGVWGWSCETCW-UHFFFAOYSA-N -1 0 311.309 -0.101 20 0 DBADRM O=C([O-])CN1CCCn2nc(C(=O)NCC(F)F)cc2C1=O ZINC001178362617 833503225 /nfs/dbraw/zinc/50/32/25/833503225.db2.gz VCMJHFDFHMXRHB-UHFFFAOYSA-N -1 0 316.264 -0.192 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cc2ncccc2F)C(=O)N1S(=O)(=O)[O-] ZINC001178482610 833508940 /nfs/dbraw/zinc/50/89/40/833508940.db2.gz APINHTGTJDAFBD-WKEGUHRASA-N -1 0 317.298 -0.719 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)CCN1CCOC1=O ZINC001178784191 833524702 /nfs/dbraw/zinc/52/47/02/833524702.db2.gz PEAQYFBTNXVUMD-QMMMGPOBSA-N -1 0 302.283 -0.649 20 0 DBADRM Cc1nc(NC(=O)CCC(=O)N2CCNC(=O)CC2)cc(=O)[nH]1 ZINC001180263784 833577378 /nfs/dbraw/zinc/57/73/78/833577378.db2.gz URIHOOMIEVSHAH-UHFFFAOYSA-N -1 0 321.337 -0.442 20 0 DBADRM C[C@H]1[C@H](NC(=O)C[C@@H]2CCCCO2)C(=O)N1S(=O)(=O)[O-] ZINC001180413366 833584948 /nfs/dbraw/zinc/58/49/48/833584948.db2.gz HZZXHSINQWETKC-NRPADANISA-N -1 0 306.340 -0.536 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)C2(C(=O)[O-])CCCCC2)C1 ZINC001180438519 833585537 /nfs/dbraw/zinc/58/55/37/833585537.db2.gz NYEAKWAHUCHHGH-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM CCOC(=O)c1nc(NC(=O)[C@@H]2CC(=O)N(C)C(=O)N2)c[nH]1 ZINC001181129205 833617518 /nfs/dbraw/zinc/61/75/18/833617518.db2.gz QHGSVVGKVVBHSQ-LURJTMIESA-N -1 0 309.282 -0.535 20 0 DBADRM CCOC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(C)C(=O)N2)[nH]n1 ZINC001181129652 833618339 /nfs/dbraw/zinc/61/83/39/833618339.db2.gz NNYGPOTZIDVEQO-LURJTMIESA-N -1 0 309.282 -0.535 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)NCCCC[P@@](=O)([O-])O)NC1=O ZINC001181136548 833619505 /nfs/dbraw/zinc/61/95/05/833619505.db2.gz OICSBZHDMJMCAL-ZETCQYMHSA-N -1 0 307.243 -0.999 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)[C@@H]1CN(Cc2ccccc2)CC1=O ZINC001181563728 833635547 /nfs/dbraw/zinc/63/55/47/833635547.db2.gz CNCBXDJLUJFOPS-VXGBXAGGSA-N -1 0 303.318 -0.766 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001182376665 833671766 /nfs/dbraw/zinc/67/17/66/833671766.db2.gz HRAMAAOJMKWEGF-SFYZADRCSA-N -1 0 309.303 -0.821 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCC(=O)CCC(=O)[O-] ZINC001182634541 833685225 /nfs/dbraw/zinc/68/52/25/833685225.db2.gz WEQVWJYCBQRWSB-VIFPVBQESA-N -1 0 318.326 -0.578 20 0 DBADRM O=C(Nc1nc[n-]c(=O)c1Br)C1CS(=O)(=O)C1 ZINC001182809915 833691426 /nfs/dbraw/zinc/69/14/26/833691426.db2.gz BELYIEHCFUCGIE-UHFFFAOYSA-N -1 0 322.140 -0.072 20 0 DBADRM CC(C)(C)OC(=O)N1CCC(=O)[C@H](C(=O)NCc2nnn[n-]2)C1 ZINC001183308736 833712811 /nfs/dbraw/zinc/71/28/11/833712811.db2.gz LGUSRRBHHMYXHC-MRVPVSSYSA-N -1 0 324.341 -0.358 20 0 DBADRM C[C@@]1(O)C=C[C@@H](O)C(C(=O)n2[n-]c3ccnc(=O)c-3c2N)=C1 ZINC001183547776 833722073 /nfs/dbraw/zinc/72/20/73/833722073.db2.gz LOQFIPYGNCMYKP-YMTOWFKASA-N -1 0 302.290 -0.493 20 0 DBADRM C[C@]1(O)C=C[C@H](O)C(C(=O)NCCCC[P@@](=O)([O-])O)=C1 ZINC001183544052 833722084 /nfs/dbraw/zinc/72/20/84/833722084.db2.gz KERSCOOHMRAYPW-JQWIXIFHSA-N -1 0 305.267 -0.331 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@@H]2C=CN=C3N=CC=C32)C(=O)N1S(=O)(=O)[O-] ZINC001183586030 833723584 /nfs/dbraw/zinc/72/35/84/833723584.db2.gz BMSYSONGUQOXPS-ZQARSLAVSA-N -1 0 324.318 -0.943 20 0 DBADRM O=C([O-])COc1ccc(OCC(=O)NCC(=O)CCO)cc1 ZINC001183911218 833741110 /nfs/dbraw/zinc/74/11/10/833741110.db2.gz HJRAZCOPAQFIPF-UHFFFAOYSA-N -1 0 311.290 -0.404 20 0 DBADRM O=C([O-])COc1ccc(OCC(=O)N2CCCNC(=O)C2)cc1 ZINC001183907280 833741336 /nfs/dbraw/zinc/74/13/36/833741336.db2.gz QLCNBBMKEHKUNX-UHFFFAOYSA-N -1 0 322.317 -0.123 20 0 DBADRM O=C([O-])COc1ccc(OCC(=O)N[C@H]2COC(=O)C2)cc1 ZINC001183910846 833741454 /nfs/dbraw/zinc/74/14/54/833741454.db2.gz YYRDDWKWUYULQX-SECBINFHSA-N -1 0 309.274 -0.040 20 0 DBADRM CC(=O)N1CC(NC(=O)COc2ccc(OCC(=O)[O-])cc2)C1 ZINC001183911734 833741570 /nfs/dbraw/zinc/74/15/70/833741570.db2.gz OOSNRKHLMUENQB-UHFFFAOYSA-N -1 0 322.317 -0.124 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2cc3c(cn2)nc[nH]c3=O)C(=O)N1C ZINC001184071144 833747722 /nfs/dbraw/zinc/74/77/22/833747722.db2.gz SOEVTPSWDUNIJR-LURJTMIESA-N -1 0 316.277 -0.342 20 0 DBADRM COc1ccc2[nH]cc(C(=O)C(=O)N[C@@H]3CO[N-]C3=O)c2c1 ZINC001184493700 833760995 /nfs/dbraw/zinc/76/09/95/833760995.db2.gz WMAINKFINAGOMW-LLVKDONJSA-N -1 0 303.274 -0.095 20 0 DBADRM O=C1[N-]C(=O)[C@@H](NS(=O)(=O)c2cnc(Cl)nc2)S1 ZINC001185058115 833778797 /nfs/dbraw/zinc/77/87/97/833778797.db2.gz USPRELCTBTZMLF-YFKPBYRVSA-N -1 0 308.728 -0.283 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1c(OC)cc[nH]c1=O ZINC001185109645 833780995 /nfs/dbraw/zinc/78/09/95/833780995.db2.gz SIZIGZOGRDFIQE-ZETCQYMHSA-N -1 0 312.278 -0.068 20 0 DBADRM CSc1ncc([O-])c(C(=O)N2CC(N3CCNC(=O)C3)C2)n1 ZINC001185178012 833782415 /nfs/dbraw/zinc/78/24/15/833782415.db2.gz UBRBMZIYCUAYPY-UHFFFAOYSA-N -1 0 323.378 -0.840 20 0 DBADRM CN(Cc1ccccc1)[C@@H](CO)C(=O)NCS(=O)(=O)[O-] ZINC001185234771 833784478 /nfs/dbraw/zinc/78/44/78/833784478.db2.gz CWRHYZZBZXOWLQ-NSHDSACASA-N -1 0 302.352 -0.559 20 0 DBADRM CC(=O)N[C@@H](CO)C(=O)NCC(=O)Nc1ccccc1[S-] ZINC001186599769 833859394 /nfs/dbraw/zinc/85/93/94/833859394.db2.gz XISVAQGDQAUCRY-JTQLQIEISA-N -1 0 311.363 -0.473 20 0 DBADRM O=C(CC(=O)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1)NCC1CC1 ZINC001186933464 833886719 /nfs/dbraw/zinc/88/67/19/833886719.db2.gz MNOYVXKWPOQWQW-SNVBAGLBSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@H](O)C2CCCCC2)C(=O)N1S(=O)(=O)[O-] ZINC001187006175 833895885 /nfs/dbraw/zinc/89/58/85/833895885.db2.gz LSNXQNFWAAKGRS-UJNFCWOMSA-N -1 0 320.367 -0.554 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)[C@@H]1CCC=N1 ZINC001187379406 833920860 /nfs/dbraw/zinc/92/08/60/833920860.db2.gz XCZHQDCUECTWJL-QWRGUYRKSA-N -1 0 321.337 -0.739 20 0 DBADRM CCC(=O)NCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001187418170 833923522 /nfs/dbraw/zinc/92/35/22/833923522.db2.gz GVUQCZLNTNERKT-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@@H]1C[C@H]1CN1CCc2c([nH]nc2C(=O)N=c2nn[n-]n2C)C1 ZINC001277135268 833927851 /nfs/dbraw/zinc/92/78/51/833927851.db2.gz XVZAGLJFHHXMTG-BDAKNGLRSA-N -1 0 316.369 -0.379 20 0 DBADRM C[C@@H]1C[C@H]1CN1CCc2onc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001277133520 833927989 /nfs/dbraw/zinc/92/79/89/833927989.db2.gz CQTBBSCINWFHMU-BDAKNGLRSA-N -1 0 317.353 -0.114 20 0 DBADRM COc1cccc(OC)c1NC(=O)C(=O)N[C@@H]1CO[N-]C1=O ZINC001187485423 833928461 /nfs/dbraw/zinc/92/84/61/833928461.db2.gz NVBROUZIOCDRLT-SSDOTTSWSA-N -1 0 309.278 -0.812 20 0 DBADRM NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188334336 833977623 /nfs/dbraw/zinc/97/76/23/833977623.db2.gz FIYPQZLIQUASNU-QMMMGPOBSA-N -1 0 322.726 -0.837 20 0 DBADRM CCOC(=O)c1cnc([N-]S(=O)(=O)CCC(=O)OC)cn1 ZINC001188353266 833977878 /nfs/dbraw/zinc/97/78/78/833977878.db2.gz WLWZPQRBZXZDBP-UHFFFAOYSA-N -1 0 317.323 -0.042 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-][C@H]1COCCC12OCCO2 ZINC001188403349 833983617 /nfs/dbraw/zinc/98/36/17/833983617.db2.gz TZROMHWONGBXAV-VIFPVBQESA-N -1 0 309.340 -0.999 20 0 DBADRM Cc1n[nH]c(C)c1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001188606020 833995612 /nfs/dbraw/zinc/99/56/12/833995612.db2.gz RDFUBEXMLRAYEO-XPUUQOCRSA-N -1 0 302.312 -0.842 20 0 DBADRM Cc1cccc(O)c1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001188654682 833996974 /nfs/dbraw/zinc/99/69/74/833996974.db2.gz FQHHQMQJDSNWQA-XVKPBYJWSA-N -1 0 314.319 -0.167 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001188800933 834017302 /nfs/dbraw/zinc/01/73/02/834017302.db2.gz AEPQBOMHAFZCAO-LPEHRKFASA-N -1 0 322.369 -0.946 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c(C)[nH]1 ZINC001189004720 834036097 /nfs/dbraw/zinc/03/60/97/834036097.db2.gz SFSCWBPOALFCBD-CBAPKCEASA-N -1 0 301.324 -0.237 20 0 DBADRM CC(C)n1nccc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001189373358 834069308 /nfs/dbraw/zinc/06/93/08/834069308.db2.gz FPNVLWKXGSZKRV-CBAPKCEASA-N -1 0 316.339 -0.404 20 0 DBADRM O=C(NC1C(=O)N=CN=C1[O-])c1cnc(N2CCOCC2)nc1 ZINC001189381759 834071614 /nfs/dbraw/zinc/07/16/14/834071614.db2.gz PNODPWBCJGWHMO-UHFFFAOYSA-N -1 0 318.293 -0.233 20 0 DBADRM Cn1c(=O)cc(C(=O)Nc2cc(=O)[n-]c(Cl)n2)n(C)c1=O ZINC001189422454 834079488 /nfs/dbraw/zinc/07/94/88/834079488.db2.gz OPOAAEASGLTTOT-UHFFFAOYSA-N -1 0 311.685 -0.515 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)CC(=O)NC3CC3)C2)c1[O-] ZINC001189664311 834104389 /nfs/dbraw/zinc/10/43/89/834104389.db2.gz NAHZLNAKKHHBPA-NSHDSACASA-N -1 0 321.381 -0.151 20 0 DBADRM Nc1cn(C(=O)c2ccccc2S(=O)(=O)[O-])c(N)nc1=O ZINC001189714719 834106120 /nfs/dbraw/zinc/10/61/20/834106120.db2.gz XTUCHOIWOXKXAY-UHFFFAOYSA-N -1 0 310.291 -0.414 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)c1ccccc1S(=O)(=O)[O-] ZINC001189703986 834106322 /nfs/dbraw/zinc/10/63/22/834106322.db2.gz QSYUMUKEQGHHKJ-SNVBAGLBSA-N -1 0 314.363 -0.006 20 0 DBADRM CCC(CO)(CO)NC(=O)c1ccccc1S(=O)(=O)[O-] ZINC001189698545 834106431 /nfs/dbraw/zinc/10/64/31/834106431.db2.gz HXQSIBQEBLQCQK-UHFFFAOYSA-N -1 0 303.336 -0.204 20 0 DBADRM O=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccccc1S(=O)(=O)[O-] ZINC001189698484 834106842 /nfs/dbraw/zinc/10/68/42/834106842.db2.gz GOBUHXJEGWISGH-MRVPVSSYSA-N -1 0 317.344 -0.026 20 0 DBADRM N=c1ncc(C[NH3+])cn1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899713 834124733 /nfs/dbraw/zinc/12/47/33/834124733.db2.gz TYHPXZSODGUQLU-UHFFFAOYSA-N -1 0 324.233 -0.019 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)c1ncc(F)cc1F)[C@@H](C)O ZINC001190207406 834146684 /nfs/dbraw/zinc/14/66/84/834146684.db2.gz NAXNPMXQLWYAIY-SVGQVSJJSA-N -1 0 310.278 -0.440 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001190309198 834151868 /nfs/dbraw/zinc/15/18/68/834151868.db2.gz VPWGTCAETOALFP-ZJUUUORDSA-N -1 0 324.385 -0.542 20 0 DBADRM O=S(=O)([N-]c1nccnc1N1CCOCC1)c1ncc[nH]1 ZINC001190690034 834180222 /nfs/dbraw/zinc/18/02/22/834180222.db2.gz UOXJQLHXPJQDDE-UHFFFAOYSA-N -1 0 310.339 -0.163 20 0 DBADRM O=S(=O)([N-]c1ncnc2c1ncn2CCO)c1ncc[nH]1 ZINC001190689328 834180829 /nfs/dbraw/zinc/18/08/29/834180829.db2.gz GRCCIEJZYSZRCA-UHFFFAOYSA-N -1 0 309.311 -0.658 20 0 DBADRM COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)N2S(=O)(=O)c1ncc[n-]1 ZINC001190707471 834181638 /nfs/dbraw/zinc/18/16/38/834181638.db2.gz JOVIPMWXKPZALK-ILWJIGKKSA-N -1 0 315.351 -0.249 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCN(c2ncc(O)cn2)CC1 ZINC001190716212 834184442 /nfs/dbraw/zinc/18/44/42/834184442.db2.gz ROGYLSFFRAALMS-UHFFFAOYSA-N -1 0 310.339 -0.584 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cncc(N(C)C)n1 ZINC001190735036 834186157 /nfs/dbraw/zinc/18/61/57/834186157.db2.gz SVCFLHREIZTUSW-QMMMGPOBSA-N -1 0 310.310 -0.321 20 0 DBADRM COC(=O)[C@@H](Cc1cncn1C)NS(=O)(=O)c1ncc[n-]1 ZINC001190754723 834187252 /nfs/dbraw/zinc/18/72/52/834187252.db2.gz FNRLXVIOTDEGPK-SECBINFHSA-N -1 0 313.339 -0.794 20 0 DBADRM O=S(=O)(N[C@@H]1CCC[C@@H]1N1CCOCC1)c1ncc[n-]1 ZINC001190754699 834187302 /nfs/dbraw/zinc/18/73/02/834187302.db2.gz CXYFVQNDZARBHW-MNOVXSKESA-N -1 0 300.384 -0.059 20 0 DBADRM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ncc[nH]1)c1cnccn1 ZINC001190755522 834187852 /nfs/dbraw/zinc/18/78/52/834187852.db2.gz VURBWBNANMTKHU-SECBINFHSA-N -1 0 311.323 -0.218 20 0 DBADRM CN1CC(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2[O-])C1 ZINC001191037012 834216063 /nfs/dbraw/zinc/21/60/63/834216063.db2.gz ZHMLOSQWJZYUTM-UHFFFAOYSA-N -1 0 319.770 -0.263 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1ncc[nH]c1=O ZINC001191513312 834260763 /nfs/dbraw/zinc/26/07/63/834260763.db2.gz OSPFRDSQSVIOBO-UHFFFAOYSA-N -1 0 320.286 -0.546 20 0 DBADRM CCC[C@@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191688406 834279312 /nfs/dbraw/zinc/27/93/12/834279312.db2.gz ZFWIXQHETZBYDL-GMTAPVOTSA-N -1 0 311.386 -0.002 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001191746327 834286371 /nfs/dbraw/zinc/28/63/71/834286371.db2.gz SRCKRTFEPWFUOA-DTWKUNHWSA-N -1 0 310.358 -0.946 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)NCC(=O)[N-]OCC ZINC001192106005 834331614 /nfs/dbraw/zinc/33/16/14/834331614.db2.gz HNFIAFRUDHELHV-SECBINFHSA-N -1 0 310.372 -0.295 20 0 DBADRM NC(=O)S(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CC[NH3+])c1 ZINC001237930312 834347165 /nfs/dbraw/zinc/34/71/65/834347165.db2.gz IDJNSVDMXQCPGS-UHFFFAOYSA-N -1 0 323.352 -0.641 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CNCCC1=O ZINC001238624758 834358264 /nfs/dbraw/zinc/35/82/64/834358264.db2.gz BYSKRPHWBAQXHD-SNVBAGLBSA-N -1 0 312.347 -0.097 20 0 DBADRM COC(=O)c1ccc([O-])c(C(=O)N2CCO[C@@H](C(N)=O)C2)c1 ZINC001192388769 834369505 /nfs/dbraw/zinc/36/95/05/834369505.db2.gz XOUWZMTZPNBCIO-LLVKDONJSA-N -1 0 308.290 -0.495 20 0 DBADRM NS(=O)(=O)c1ccc(-c2cnn(CC(=O)[O-])c2)nc1F ZINC001242184505 834402380 /nfs/dbraw/zinc/40/23/80/834402380.db2.gz TXDBWPZPIHSRGW-UHFFFAOYSA-N -1 0 300.271 -0.184 20 0 DBADRM CN(C[C@H](O)CO)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192693526 834412014 /nfs/dbraw/zinc/41/20/14/834412014.db2.gz JMILBUOJWXGKKH-VIFPVBQESA-N -1 0 319.335 -0.876 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N[C@@H]2COC(=O)C2)cc1 ZINC001192739863 834416131 /nfs/dbraw/zinc/41/61/31/834416131.db2.gz BPFJWTPVHFBJKF-QMMMGPOBSA-N -1 0 315.303 -0.256 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N[C@H]2C[C@H](O)C2)cc1 ZINC001192741017 834416274 /nfs/dbraw/zinc/41/62/74/834416274.db2.gz RWWBFLVPNMFLLZ-KYZUINATSA-N -1 0 301.320 -0.048 20 0 DBADRM CN(C)C(=O)CC(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001192758569 834419373 /nfs/dbraw/zinc/41/93/73/834419373.db2.gz KQAXYLVXHMKTGR-VIFPVBQESA-N -1 0 310.358 -0.979 20 0 DBADRM CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CO[N-]C1=O ZINC001192773308 834420808 /nfs/dbraw/zinc/42/08/08/834420808.db2.gz ADFMNEYVPCBSMZ-VXGBXAGGSA-N -1 0 321.333 -0.110 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=S)NCCC[S@](C)=O ZINC001246649194 834446058 /nfs/dbraw/zinc/44/60/58/834446058.db2.gz AUFKENDEGZLKTO-FHZGZLOMSA-N -1 0 324.424 -0.375 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1nnn(-c2ccccc2Cl)n1 ZINC001193038080 834456055 /nfs/dbraw/zinc/45/60/55/834456055.db2.gz OJNHJAPJVRJGQG-UHFFFAOYSA-N -1 0 305.689 -0.487 20 0 DBADRM CCOC(=O)[C@H](CCSC)NC(=O)N=c1nn[n-]n1C ZINC001193176224 834472717 /nfs/dbraw/zinc/47/27/17/834472717.db2.gz ZFADNEKKDZXANA-ZETCQYMHSA-N -1 0 302.360 -0.562 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N1C[C@H](c2ccccc2)CS1(=O)=O ZINC001250404197 834479329 /nfs/dbraw/zinc/47/93/29/834479329.db2.gz VAPDCXIHEFNWQJ-QWRGUYRKSA-N -1 0 313.331 -0.222 20 0 DBADRM CCOC(=O)[C@H](CCSC)NC(=O)NCS(=O)(=O)[O-] ZINC001193260310 834479753 /nfs/dbraw/zinc/47/97/53/834479753.db2.gz CEFGLZSRNSVYKL-ZETCQYMHSA-N -1 0 314.385 -0.184 20 0 DBADRM CCOC(=O)[C@H](CCSC)NC(=O)N[C@@H]1CO[N-]C1=O ZINC001193256279 834479980 /nfs/dbraw/zinc/47/99/80/834479980.db2.gz TZIRTHXVDIQIIM-JGVFFNPUSA-N -1 0 305.356 -0.600 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)C[C@@H]1CCCO1 ZINC001193286266 834481385 /nfs/dbraw/zinc/48/13/85/834481385.db2.gz QBDFUNKJMSVKPT-IUCAKERBSA-N -1 0 309.340 -0.509 20 0 DBADRM N=C(NC(=O)c1ccc(CO)cn1)SCCS(=O)(=O)[O-] ZINC001193323089 834484952 /nfs/dbraw/zinc/48/49/52/834484952.db2.gz XTWONXHZRBFMRC-UHFFFAOYSA-N -1 0 319.364 -0.141 20 0 DBADRM CN(C)S(=O)(=O)[N-]c1ncc(Br)nc1C(N)=O ZINC001251055947 834492865 /nfs/dbraw/zinc/49/28/65/834492865.db2.gz KTPZZFQVMDKSSI-UHFFFAOYSA-N -1 0 324.160 -0.444 20 0 DBADRM CN(C)S(=O)(=O)N[C@H](CO)C(=O)OCc1ccccc1 ZINC001251097667 834494214 /nfs/dbraw/zinc/49/42/14/834494214.db2.gz JFCIZMLMWUHVPL-LLVKDONJSA-N -1 0 302.352 -0.513 20 0 DBADRM COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H]2CO[N-]C2=O)c1 ZINC001193446673 834496647 /nfs/dbraw/zinc/49/66/47/834496647.db2.gz LXDQHWYXEPEXCH-SECBINFHSA-N -1 0 314.319 -0.510 20 0 DBADRM CCOC(Cn1cc(C(=O)NCc2nnn[n-]2)nn1)OCC ZINC001251774899 834504801 /nfs/dbraw/zinc/50/48/01/834504801.db2.gz GJPFNIYDUPXKLZ-UHFFFAOYSA-N -1 0 310.318 -0.880 20 0 DBADRM CCOC[C@H](O)CNc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001252038188 834518858 /nfs/dbraw/zinc/51/88/58/834518858.db2.gz MBAPGXDRGDXDSS-SECBINFHSA-N -1 0 300.336 -0.072 20 0 DBADRM CC(=O)N[C@@H](CCCC[N-]S(=O)(=O)C(F)(F)F)C(N)=O ZINC001252385742 834527673 /nfs/dbraw/zinc/52/76/73/834527673.db2.gz AONHFXRPFPHNIR-ZETCQYMHSA-N -1 0 319.305 -0.414 20 0 DBADRM O=C1C=CC(=O)N1CCOCC[N-]S(=O)(=O)C(F)(F)F ZINC001252389980 834528384 /nfs/dbraw/zinc/52/83/84/834528384.db2.gz GPBJARJMPWQBEB-UHFFFAOYSA-N -1 0 316.257 -0.633 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cn(C)c(C(C)=O)n1 ZINC001193840875 834537847 /nfs/dbraw/zinc/53/78/47/834537847.db2.gz XXQMXBHEAXPTIY-QMMMGPOBSA-N -1 0 311.294 -0.241 20 0 DBADRM COC(=O)[C@H](O)C[NH2+]C1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001252441084 834540494 /nfs/dbraw/zinc/54/04/94/834540494.db2.gz XTOQBLVMZNVKJW-LLVKDONJSA-N -1 0 315.262 -0.217 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)[N-]N2CC(=O)NC2=O)nn1 ZINC001253034636 834559945 /nfs/dbraw/zinc/55/99/45/834559945.db2.gz TXTQBGSBWBLGST-UHFFFAOYSA-N -1 0 308.298 -0.910 20 0 DBADRM O=S(=O)([O-])CNC[C@H](O)COc1ccc(CCO)cc1 ZINC001253163069 834562871 /nfs/dbraw/zinc/56/28/71/834562871.db2.gz NCFGBXOZZTXSQO-NSHDSACASA-N -1 0 305.352 -0.604 20 0 DBADRM CN(C)C(=O)c1nc(C[N-]S(=O)(=O)CC(F)(F)F)no1 ZINC001253210406 834565464 /nfs/dbraw/zinc/56/54/64/834565464.db2.gz MPQZFLGJOQHKJP-UHFFFAOYSA-N -1 0 316.261 -0.247 20 0 DBADRM Cn1[n-]c(C(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1=O ZINC001194210822 834576563 /nfs/dbraw/zinc/57/65/63/834576563.db2.gz GUSDINDZEUEFES-UHFFFAOYSA-N -1 0 316.383 -0.473 20 0 DBADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)NC(CO)(CO)CO ZINC001194276107 834584354 /nfs/dbraw/zinc/58/43/54/834584354.db2.gz AYJKPHZTGZNQBI-UHFFFAOYSA-N -1 0 321.333 -0.668 20 0 DBADRM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1nc(=O)o[n-]1 ZINC001254027611 834584732 /nfs/dbraw/zinc/58/47/32/834584732.db2.gz LBWVGQORZGBXQA-IUCAKERBSA-N -1 0 322.321 -0.456 20 0 DBADRM CCC(=O)OCc1cn(CCOCCOCC(=O)[O-])nn1 ZINC001254090097 834586981 /nfs/dbraw/zinc/58/69/81/834586981.db2.gz FPHVFATVYQRKIM-UHFFFAOYSA-N -1 0 301.299 -0.151 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)NC2C(=O)N=CN=C2[O-])ccn1 ZINC001194680152 834617259 /nfs/dbraw/zinc/61/72/59/834617259.db2.gz REXROVMTUWBVBE-UHFFFAOYSA-N -1 0 310.291 -0.061 20 0 DBADRM COc1ncccc1S(=O)(=O)[N-]c1ccnc(C(N)=O)c1 ZINC001194678767 834617369 /nfs/dbraw/zinc/61/73/69/834617369.db2.gz FZSJNUDXLMKIFP-UHFFFAOYSA-N -1 0 308.319 -0.193 20 0 DBADRM COc1ncccc1S(=O)(=O)[N-]c1nccnc1C(N)=O ZINC001194678639 834617679 /nfs/dbraw/zinc/61/76/79/834617679.db2.gz AXJUWOKWKVFQJU-UHFFFAOYSA-N -1 0 309.307 -0.220 20 0 DBADRM COc1ncccc1S(=O)(=O)[N-]c1cnc(C(N)=O)nc1 ZINC001194679713 834617898 /nfs/dbraw/zinc/61/78/98/834617898.db2.gz SMHCNJXUCCACRC-UHFFFAOYSA-N -1 0 309.307 -0.220 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC001255988025 834618095 /nfs/dbraw/zinc/61/80/95/834618095.db2.gz MMJITVXQDQCTIO-UHFFFAOYSA-N -1 0 310.310 -0.575 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N[C@H](C)CC(=O)N1CCOCC1 ZINC001256322071 834623784 /nfs/dbraw/zinc/62/37/84/834623784.db2.gz WJROSDWIGXCOLC-MNOVXSKESA-N -1 0 316.354 -0.380 20 0 DBADRM C[C@H]1NC(=O)N(CCN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC001194764883 834630552 /nfs/dbraw/zinc/63/05/52/834630552.db2.gz PJBZALSGRWCOFN-RKDXNWHRSA-N -1 0 308.342 -0.370 20 0 DBADRM CS(=O)(=O)CCCNC(=O)C(=O)[N-]OC1CCCCC1 ZINC001257305013 834651727 /nfs/dbraw/zinc/65/17/27/834651727.db2.gz DNAIFYUGRQFVHN-UHFFFAOYSA-N -1 0 306.384 -0.082 20 0 DBADRM CCc1ncc(Br)c(C(=O)N[C@@H]2CO[N-]C2=O)n1 ZINC001195162590 834659373 /nfs/dbraw/zinc/65/93/73/834659373.db2.gz HCIMNUASUVUWLO-ZCFIWIBFSA-N -1 0 315.127 -0.039 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC2(CO)COC2)c(F)cc1F ZINC001195247840 834666385 /nfs/dbraw/zinc/66/63/85/834666385.db2.gz YETXGTGIVDHTQI-UHFFFAOYSA-N -1 0 323.273 -0.297 20 0 DBADRM CCNC(=O)CCC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001195260658 834668007 /nfs/dbraw/zinc/66/80/07/834668007.db2.gz LVJSQIKKEXXVMV-UHFFFAOYSA-N -1 0 324.385 -0.539 20 0 DBADRM CS(=O)(=O)NCCNC(=O)C(=O)[N-]OC1CCCCC1 ZINC001258191012 834673478 /nfs/dbraw/zinc/67/34/78/834673478.db2.gz GILRFFTZTKVSEA-UHFFFAOYSA-N -1 0 307.372 -0.968 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001258448840 834684046 /nfs/dbraw/zinc/68/40/46/834684046.db2.gz GSKBOVOBFIDTOV-SSDOTTSWSA-N -1 0 324.771 -0.031 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H]2CO[N-]C2=O)c(OC)c1 ZINC001258961718 834688801 /nfs/dbraw/zinc/68/88/01/834688801.db2.gz BQFHCODIQXRKTA-MRVPVSSYSA-N -1 0 302.308 -0.588 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]c2nccnc2N2CCOCC2)c1 ZINC001258993266 834690034 /nfs/dbraw/zinc/69/00/34/834690034.db2.gz NPZKGIMUKWEJNV-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1ccc(Cl)nc1C(N)=O ZINC001259017914 834692571 /nfs/dbraw/zinc/69/25/71/834692571.db2.gz JSFPDMISJSTXOJ-UHFFFAOYSA-N -1 0 307.715 -0.251 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1nc(Cl)ccc1C(N)=O ZINC001259018153 834692586 /nfs/dbraw/zinc/69/25/86/834692586.db2.gz WHVSTSPBHCBKQY-UHFFFAOYSA-N -1 0 307.715 -0.251 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1ccc(S(C)(=O)=O)nc1C ZINC001259018953 834693235 /nfs/dbraw/zinc/69/32/35/834693235.db2.gz MFSDRNHIGYYZHF-UHFFFAOYSA-N -1 0 322.364 -0.292 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1ccc2c(cnn2CCO)c1 ZINC001259024699 834695357 /nfs/dbraw/zinc/69/53/57/834695357.db2.gz FEZUAUDMGPAUSG-UHFFFAOYSA-N -1 0 313.335 -0.057 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cc(OC)ccc1C(N)=O ZINC001259026546 834696627 /nfs/dbraw/zinc/69/66/27/834696627.db2.gz LJVUBEGQIGOIPA-UHFFFAOYSA-N -1 0 302.308 -0.291 20 0 DBADRM CCOC(=O)c1nonc1[N-]S(=O)(=O)c1ccn(C)n1 ZINC001259937579 834715546 /nfs/dbraw/zinc/71/55/46/834715546.db2.gz CACZMRPGUYJASH-UHFFFAOYSA-N -1 0 301.284 -0.219 20 0 DBADRM COc1ccc(S(=O)(=O)NCC(=O)CCC(=O)[O-])cn1 ZINC001195747051 834723526 /nfs/dbraw/zinc/72/35/26/834723526.db2.gz ZVVBCPIYINFHHW-UHFFFAOYSA-N -1 0 302.308 -0.198 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)NCC(=O)CCC(=O)[O-] ZINC001260114240 834726998 /nfs/dbraw/zinc/72/69/98/834726998.db2.gz QARVLVWANDMZMH-UHFFFAOYSA-N -1 0 303.340 -0.251 20 0 DBADRM CN1C(=O)Cc2cc(S(=O)(=O)NCS(=O)(=O)[O-])ccc21 ZINC001260163438 834728211 /nfs/dbraw/zinc/72/82/11/834728211.db2.gz NVHMFPZWJCDDGQ-UHFFFAOYSA-N -1 0 320.348 -0.671 20 0 DBADRM Cn1ncc([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)n1 ZINC001260167461 834728848 /nfs/dbraw/zinc/72/88/48/834728848.db2.gz CBGMIUAGLXWCFL-UHFFFAOYSA-N -1 0 314.718 -0.293 20 0 DBADRM CC[C@@H](CO)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260166970 834728881 /nfs/dbraw/zinc/72/88/81/834728881.db2.gz ODGWYEQCZJCTDV-LURJTMIESA-N -1 0 305.747 -0.173 20 0 DBADRM O=S(=O)([N-]CC1(O)CC1)c1nc2nc(Cl)ccn2n1 ZINC001260167216 834729003 /nfs/dbraw/zinc/72/90/03/834729003.db2.gz UQBBQAYDFPMIFM-UHFFFAOYSA-N -1 0 303.731 -0.419 20 0 DBADRM O=S(=O)([N-][C@@H]1CCC[C@H]1O)c1nc2nc(Cl)ccn2n1 ZINC001260176856 834729111 /nfs/dbraw/zinc/72/91/11/834729111.db2.gz YHOIZNIZRFNBOR-RNFRBKRXSA-N -1 0 317.758 -0.031 20 0 DBADRM Cc1nc2ccccc2c(=O)n1CC(=O)NCc1nc(=O)o[n-]1 ZINC001260177100 834729253 /nfs/dbraw/zinc/72/92/53/834729253.db2.gz NWWMXOKKGNOCGV-UHFFFAOYSA-N -1 0 315.289 -0.302 20 0 DBADRM O=C1OCC=C1[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260182017 834730125 /nfs/dbraw/zinc/73/01/25/834730125.db2.gz SRZGPFOIVJTVGA-UHFFFAOYSA-N -1 0 315.698 -0.503 20 0 DBADRM CC1([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)COC1 ZINC001260177864 834730375 /nfs/dbraw/zinc/73/03/75/834730375.db2.gz NTCASCQZPFFTMV-UHFFFAOYSA-N -1 0 303.731 -0.155 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC001260184997 834730458 /nfs/dbraw/zinc/73/04/58/834730458.db2.gz MKQAZOIKTLMCFW-JQWIXIFHSA-N -1 0 315.347 -0.251 20 0 DBADRM O=S(=O)([N-][C@@H]1CCC[C@@H]1O)c1nc2nc(Cl)ccn2n1 ZINC001260179006 834730464 /nfs/dbraw/zinc/73/04/64/834730464.db2.gz YHOIZNIZRFNBOR-RQJHMYQMSA-N -1 0 317.758 -0.031 20 0 DBADRM C[C@@H](CO)C[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260178658 834730539 /nfs/dbraw/zinc/73/05/39/834730539.db2.gz KVNLTSGJTKJGBF-ZCFIWIBFSA-N -1 0 305.747 -0.316 20 0 DBADRM C[C@@]1([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)C[C@@H](O)C1 ZINC001260178629 834730643 /nfs/dbraw/zinc/73/06/43/834730643.db2.gz JMVDYSRECACVNP-HDKIZWTHSA-N -1 0 317.758 -0.031 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CNC(=O)O2)cc1 ZINC001260232311 834731516 /nfs/dbraw/zinc/73/15/16/834731516.db2.gz HPZCNHXTEAXOGO-QMMMGPOBSA-N -1 0 300.292 -0.229 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC2(CCO)COC2)cc1 ZINC001260229823 834731740 /nfs/dbraw/zinc/73/17/40/834731740.db2.gz LAQRHAASEDPGAM-UHFFFAOYSA-N -1 0 301.320 -0.186 20 0 DBADRM CN(C[C@@H](O)CO)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260212963 834731762 /nfs/dbraw/zinc/73/17/62/834731762.db2.gz OUYRGPCQQXPTBH-MRVPVSSYSA-N -1 0 307.299 -0.502 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CNC(=O)O2)ccc1O ZINC001260405243 834733360 /nfs/dbraw/zinc/73/33/60/834733360.db2.gz AVTRNZFXRKKQHQ-LURJTMIESA-N -1 0 316.291 -0.523 20 0 DBADRM O=C1[N-]C(=O)[C@@H](NS(=O)(=O)c2cccc3nonc32)S1 ZINC001260442930 834733414 /nfs/dbraw/zinc/73/34/14/834733414.db2.gz RJIFSDRVYKKSJH-QMMMGPOBSA-N -1 0 314.304 -0.190 20 0 DBADRM COc1nc(Cl)cnc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260584332 834736878 /nfs/dbraw/zinc/73/68/78/834736878.db2.gz WSEZPBHFFJWRMB-UHFFFAOYSA-N -1 0 315.760 -0.118 20 0 DBADRM Cc1cc([N-]S(=O)(=O)CS(C)(=O)=O)n2ncnc2n1 ZINC001260583934 834736906 /nfs/dbraw/zinc/73/69/06/834736906.db2.gz PGJOAFGICWTZQX-UHFFFAOYSA-N -1 0 305.341 -0.823 20 0 DBADRM COC(=O)c1cnc([N-]S(=O)(=O)CS(C)(=O)=O)cn1 ZINC001260583984 834736927 /nfs/dbraw/zinc/73/69/27/834736927.db2.gz RDBZPSPFXLVKCW-UHFFFAOYSA-N -1 0 309.325 -0.993 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1c(C(=O)OCC)cnn1C ZINC001195933634 834737189 /nfs/dbraw/zinc/73/71/89/834737189.db2.gz FHYLKKCFRZJJHI-UHFFFAOYSA-N -1 0 319.339 -0.098 20 0 DBADRM CCOC(=O)c1nccnc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260585134 834737296 /nfs/dbraw/zinc/73/72/96/834737296.db2.gz PQCGSWJUBGALDW-UHFFFAOYSA-N -1 0 323.352 -0.603 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1nc(F)ccc1C(N)=O ZINC001260585247 834737663 /nfs/dbraw/zinc/73/76/63/834737663.db2.gz VOWWVJNIANKIRS-UHFFFAOYSA-N -1 0 311.316 -0.937 20 0 DBADRM COC(=O)c1ccc([N-]S(=O)(=O)CS(C)(=O)=O)c(O)c1 ZINC001260590245 834739369 /nfs/dbraw/zinc/73/93/69/834739369.db2.gz DBLRCUDVRODDEM-UHFFFAOYSA-N -1 0 323.348 -0.077 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1cccc2c1OCC(=O)N2 ZINC001260590913 834740573 /nfs/dbraw/zinc/74/05/73/834740573.db2.gz SGXFPBCGMSFROF-UHFFFAOYSA-N -1 0 320.348 -0.239 20 0 DBADRM COc1ccc([N-]S(=O)(=O)CS(C)(=O)=O)c(C(N)=O)c1 ZINC001260591776 834740745 /nfs/dbraw/zinc/74/07/45/834740745.db2.gz LKAYSRLNGAAIDG-UHFFFAOYSA-N -1 0 322.364 -0.462 20 0 DBADRM COC(=O)[C@H](CCSC)NS(=O)(=O)CS(C)(=O)=O ZINC001260596198 834742503 /nfs/dbraw/zinc/74/25/03/834742503.db2.gz CPZKXNUGUSLERS-ZETCQYMHSA-N -1 0 319.426 -0.797 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)NCC(=O)Cc1ccc(F)cc1 ZINC001260596450 834742913 /nfs/dbraw/zinc/74/29/13/834742913.db2.gz LTRBCDLZPIGPLK-UHFFFAOYSA-N -1 0 323.367 -0.141 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1ccc(C(N)=O)cc1O ZINC001195984897 834743193 /nfs/dbraw/zinc/74/31/93/834743193.db2.gz ZJKWFCCBABMDKL-UHFFFAOYSA-N -1 0 302.308 -0.204 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-][C@@H](C(=O)OCC)C(F)(F)F ZINC001195984783 834743274 /nfs/dbraw/zinc/74/32/74/834743274.db2.gz ZDYDGSZETWSBSQ-ZETCQYMHSA-N -1 0 321.273 -0.037 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@H]2COCC[C@@H]2O)s1 ZINC001260708959 834745734 /nfs/dbraw/zinc/74/57/34/834745734.db2.gz LTDRKDJUQKXHEK-YUMQZZPRSA-N -1 0 321.380 -0.470 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)CCCCC(N)=O)c1Cl ZINC001261204079 834768325 /nfs/dbraw/zinc/76/83/25/834768325.db2.gz FOOLADJFNYHNAT-UHFFFAOYSA-N -1 0 322.774 -0.076 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)CCn1cnccc1=O ZINC001261224798 834770873 /nfs/dbraw/zinc/77/08/73/834770873.db2.gz BNCPWTSDCKVAIK-UHFFFAOYSA-N -1 0 317.367 -0.494 20 0 DBADRM O=C([O-])CCCNC(=O)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001261458773 834787815 /nfs/dbraw/zinc/78/78/15/834787815.db2.gz LGUYAKNHWDNMBE-NSHDSACASA-N -1 0 311.342 -0.018 20 0 DBADRM N[C@@H]1NCN(C(=O)c2cc(Cl)c(F)cc2[O-])[C@@H]2NCN[C@@H]21 ZINC001196477744 834788231 /nfs/dbraw/zinc/78/82/31/834788231.db2.gz GBUINVSPAGUMDJ-MXWKQRLJSA-N -1 0 315.736 -0.683 20 0 DBADRM C[C@@H](O)[C@@H](CO)NC(=O)c1sccc1[N-]S(C)(=O)=O ZINC001196721190 834799089 /nfs/dbraw/zinc/79/90/89/834799089.db2.gz DBPGRRHNLDMYFD-HTRCEHHLSA-N -1 0 308.381 -0.409 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)COCC1CC1 ZINC001261543206 834804753 /nfs/dbraw/zinc/80/47/53/834804753.db2.gz HJQMDQLYWLYFOQ-SECBINFHSA-N -1 0 301.343 -0.898 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCSCC[C@@H]1C ZINC001261543473 834805116 /nfs/dbraw/zinc/80/51/16/834805116.db2.gz PBIZUNIAZKIPMN-VIFPVBQESA-N -1 0 303.384 -0.476 20 0 DBADRM Cc1nc2ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cn2n1 ZINC001261554805 834807551 /nfs/dbraw/zinc/80/75/51/834807551.db2.gz NRSZXMIOYROJPO-SSDOTTSWSA-N -1 0 305.294 -0.187 20 0 DBADRM COC(=O)CCCCS(=O)(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001196967044 834821312 /nfs/dbraw/zinc/82/13/12/834821312.db2.gz YCNNFWMKBFKUAB-QMMMGPOBSA-N -1 0 310.353 -0.442 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001261747554 834844763 /nfs/dbraw/zinc/84/47/63/834844763.db2.gz QIJQYNGRTJLXNX-MRVPVSSYSA-N -1 0 300.311 -0.087 20 0 DBADRM O=C(CCn1cccc1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001197188696 834846400 /nfs/dbraw/zinc/84/64/00/834846400.db2.gz CLYGCKFBAPIMNV-GHMZBOCLSA-N -1 0 320.353 -0.937 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001197226632 834848766 /nfs/dbraw/zinc/84/87/66/834848766.db2.gz GAWQVLUWHZFSGS-LLVKDONJSA-N -1 0 324.385 -0.541 20 0 DBADRM O=C(c1ccnc2ccnn21)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001261796184 834848999 /nfs/dbraw/zinc/84/89/99/834848999.db2.gz SBDFYYBMDOWIMG-VIFPVBQESA-N -1 0 300.282 -0.544 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccn(C)c2=O)CC[C@@H]1C(=O)[O-] ZINC001261810290 834851710 /nfs/dbraw/zinc/85/17/10/834851710.db2.gz XNBWYMVFGLIDCN-UWVGGRQHSA-N -1 0 321.333 -0.107 20 0 DBADRM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1cccnc1)[C@@H](C)O ZINC001197485224 834872427 /nfs/dbraw/zinc/87/24/27/834872427.db2.gz DRLIZQJGYJQXRW-MWLCHTKSSA-N -1 0 302.352 -0.187 20 0 DBADRM CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001262056087 834899026 /nfs/dbraw/zinc/89/90/26/834899026.db2.gz DFEZHHJVTQRTOD-TUAOUCFPSA-N -1 0 311.382 -0.236 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1cncc(OCC(F)(F)F)n1 ZINC001198003325 834917579 /nfs/dbraw/zinc/91/75/79/834917579.db2.gz PIGDUHZOSTUVOA-ZCFIWIBFSA-N -1 0 306.200 -0.423 20 0 DBADRM C[C@@]1(O)CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001262204529 834919171 /nfs/dbraw/zinc/91/91/71/834919171.db2.gz VGDXJPFZASWXPF-FIXISWKDSA-N -1 0 310.350 -0.461 20 0 DBADRM CCS[C@@H]1CCC[C@H](NC(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001262281180 834926988 /nfs/dbraw/zinc/92/69/88/834926988.db2.gz PBJTZSMOYBKULI-VHSXEESVSA-N -1 0 317.411 -0.039 20 0 DBADRM CC(C)n1cncc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001198114146 834926982 /nfs/dbraw/zinc/92/69/82/834926982.db2.gz XEHWYUWFSDXEEV-CBAPKCEASA-N -1 0 316.339 -0.404 20 0 DBADRM CN1CCN(c2cnccc2C(=O)NCS(=O)(=O)[O-])CC1 ZINC001198159618 834930039 /nfs/dbraw/zinc/93/00/39/834930039.db2.gz TZJMZFIRCPAYDM-UHFFFAOYSA-N -1 0 314.367 -0.592 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)c1ccncc1N1CCOCC1 ZINC001198215737 834933336 /nfs/dbraw/zinc/93/33/36/834933336.db2.gz HHASWISLUWLRGF-LBPRGKRZSA-N -1 0 322.346 -0.043 20 0 DBADRM Nc1cccc(S(=O)(=O)N2Cc3nncn3C[C@H]2C(=O)[O-])c1 ZINC001262379819 834937939 /nfs/dbraw/zinc/93/79/39/834937939.db2.gz NHUZXSZZCSDIOW-JTQLQIEISA-N -1 0 323.334 -0.482 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC001262457578 834942559 /nfs/dbraw/zinc/94/25/59/834942559.db2.gz TUXLGFTZQQNTGH-ZETCQYMHSA-N -1 0 324.263 -0.492 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@H](OCC(C)C)C1 ZINC001262463556 834942624 /nfs/dbraw/zinc/94/26/24/834942624.db2.gz PHHKTVIWWVWFAD-NSHDSACASA-N -1 0 312.374 -0.008 20 0 DBADRM COCCn1c(=O)cccc1C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001198699994 834963735 /nfs/dbraw/zinc/96/37/35/834963735.db2.gz HQZPLYBYQJZKBO-LLVKDONJSA-N -1 0 311.319 -0.466 20 0 DBADRM NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2C(=O)[O-])CCO1 ZINC001198766180 834967228 /nfs/dbraw/zinc/96/72/28/834967228.db2.gz CERASVMLPWIGAR-VIFPVBQESA-N -1 0 314.319 -0.740 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1cnc(=O)n(C2CCOCC2)c1 ZINC001198899014 834976038 /nfs/dbraw/zinc/97/60/38/834976038.db2.gz HNUBFXSTCMDSJB-UHFFFAOYSA-N -1 0 317.323 -0.830 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)C1=CC=CC1 ZINC001199695668 835047750 /nfs/dbraw/zinc/04/77/50/835047750.db2.gz QFFJGQIWLQFJDW-LBPRGKRZSA-N -1 0 318.333 -0.086 20 0 DBADRM O=C1[N-]C(=O)[C@@H](NC(=S)NCCCN2CCOCC2)S1 ZINC001199953980 835073583 /nfs/dbraw/zinc/07/35/83/835073583.db2.gz RHCYBYPZPGSVFA-VIFPVBQESA-N -1 0 318.424 -0.518 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC001200059219 835088483 /nfs/dbraw/zinc/08/84/83/835088483.db2.gz MGWBUZBXYBFEBE-UHFFFAOYSA-N -1 0 302.312 -0.867 20 0 DBADRM COc1nc(NC(=S)NCCN2CCOCC2)cc(=O)[n-]1 ZINC001200117093 835093863 /nfs/dbraw/zinc/09/38/63/835093863.db2.gz AYWHHYVELNNJJP-UHFFFAOYSA-N -1 0 313.383 -0.191 20 0 DBADRM C[C@H]1[C@H](NC(=S)NCc2ccco2)C(=O)N1S(=O)(=O)[O-] ZINC001200569191 835137635 /nfs/dbraw/zinc/13/76/35/835137635.db2.gz WWZOHSNSNKRHRY-XPUUQOCRSA-N -1 0 319.364 -0.354 20 0 DBADRM Cn1cnc2cc(C(=O)N[C@H]3SC(=O)[N-]C3=O)ccc2c1=O ZINC001201344852 835184955 /nfs/dbraw/zinc/18/49/55/835184955.db2.gz LTKHSKREJAHAHI-NSHDSACASA-N -1 0 318.314 -0.028 20 0 DBADRM NC(=O)CCCCC(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001266539405 835333304 /nfs/dbraw/zinc/33/33/04/835333304.db2.gz AVQNFGYEKBICSI-JTQLQIEISA-N -1 0 324.385 -0.506 20 0 DBADRM COCCOCO[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001205285669 835339385 /nfs/dbraw/zinc/33/93/85/835339385.db2.gz QSCAGLDAPNSIJO-LLVKDONJSA-N -1 0 313.372 -0.788 20 0 DBADRM Cc1ncccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001205346370 835340306 /nfs/dbraw/zinc/34/03/06/835340306.db2.gz YNBVQTTWFIISJM-UHFFFAOYSA-N -1 0 312.311 -0.599 20 0 DBADRM CCNC(=O)CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001206578861 835403421 /nfs/dbraw/zinc/40/34/21/835403421.db2.gz GRKZKVZLCIUQBH-NXEZZACHSA-N -1 0 324.385 -0.637 20 0 DBADRM O=C([O-])C[C@H](C(=O)OCC[NH+]1CCCCC1)[C@@H](O)C(=O)[O-] ZINC001206718829 835411850 /nfs/dbraw/zinc/41/18/50/835411850.db2.gz YECUFTUWKKMJII-GXSJLCMTSA-N -1 0 303.311 -0.448 20 0 DBADRM CO[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)C1CC1 ZINC001206925392 835437204 /nfs/dbraw/zinc/43/72/04/835437204.db2.gz AAOXRFMZDNYNQN-HLUHBDAQSA-N -1 0 309.370 -0.128 20 0 DBADRM CCN(CCNCc1nnn(C)n1)C(=O)c1n[nH]c(C)c1[O-] ZINC001268444060 835694761 /nfs/dbraw/zinc/69/47/61/835694761.db2.gz GOWWPFCZKBKQOV-UHFFFAOYSA-N -1 0 308.346 -0.801 20 0 DBADRM Cc1cc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cnn1 ZINC001268533795 835720703 /nfs/dbraw/zinc/72/07/03/835720703.db2.gz RCLUIBFVDHVGBG-NSCUHMNNSA-N -1 0 303.326 -0.315 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)c1cnn(CCF)c1 ZINC001268559926 835730758 /nfs/dbraw/zinc/73/07/58/835730758.db2.gz VIHDSTJAEHAIQD-OWOJBTEDSA-N -1 0 323.332 -0.248 20 0 DBADRM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001268707648 835784387 /nfs/dbraw/zinc/78/43/87/835784387.db2.gz VPDBDVUAKQLHMU-UWVGGRQHSA-N -1 0 324.385 -0.637 20 0 DBADRM C=CC(=O)N1CCc2cc(C(=O)N=c3nn[n-]n3C)[nH]c2C1 ZINC001268858677 835828004 /nfs/dbraw/zinc/82/80/04/835828004.db2.gz CAVPANZZEBWVGH-UHFFFAOYSA-N -1 0 301.310 -0.717 20 0 DBADRM C=C(Cl)C(=O)N1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001268895077 835837486 /nfs/dbraw/zinc/83/74/86/835837486.db2.gz TUDUMOYUIWYRMP-UHFFFAOYSA-N -1 0 322.716 -0.798 20 0 DBADRM CC(C)CN1C[C@H](C(=O)NCCn2cc(C(=O)[O-])nn2)CC1=O ZINC000321603916 970787754 /nfs/dbraw/zinc/78/77/54/970787754.db2.gz QHMKMVIPSMQGBJ-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@@H]2CCCN2C(=O)C2CC2)nn1 ZINC000321614149 970788765 /nfs/dbraw/zinc/78/87/65/970788765.db2.gz RIZXUDJFPLPCMW-NSHDSACASA-N -1 0 321.337 -0.507 20 0 DBADRM COc1cccc(NC(=O)CN2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000321927094 970825309 /nfs/dbraw/zinc/82/53/09/970825309.db2.gz YGYLMLQJZJGCND-GFCCVEGCSA-N -1 0 321.333 -0.091 20 0 DBADRM CNC(=O)CN1CCN(C(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000322341905 970875503 /nfs/dbraw/zinc/87/55/03/970875503.db2.gz DCSRBGSDDGVQSZ-UHFFFAOYSA-N -1 0 319.361 -0.183 20 0 DBADRM CCOC(=O)[C@H](N)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000322530477 970898704 /nfs/dbraw/zinc/89/87/04/970898704.db2.gz WOVIDLSFQFZUKD-LLVKDONJSA-N -1 0 323.305 -0.670 20 0 DBADRM CNC(=O)C[C@@H](C)NS(=O)(=O)c1scnc1C(=O)[O-] ZINC000322564232 970903519 /nfs/dbraw/zinc/90/35/19/970903519.db2.gz XVGQLIIYAJALTR-RXMQYKEDSA-N -1 0 307.353 -0.356 20 0 DBADRM O=C([O-])c1cccc(CS(=O)(=O)N[C@@H]2COC[C@H]2O)c1 ZINC000323073112 970964988 /nfs/dbraw/zinc/96/49/88/970964988.db2.gz NZQRZLNYNPHTFL-GHMZBOCLSA-N -1 0 301.320 -0.436 20 0 DBADRM O=C([O-])c1c(F)ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)c1F ZINC000323564255 971017059 /nfs/dbraw/zinc/01/70/59/971017059.db2.gz JSHPATBRCBBVMN-RQJHMYQMSA-N -1 0 323.273 -0.299 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C1=NN(CCO)C(=O)CC1)c1ccccc1 ZINC001601567303 971018337 /nfs/dbraw/zinc/01/83/37/971018337.db2.gz OJPDXORQUVVENS-ZDUSSCGKSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])CC1(NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CCC1 ZINC001601931601 971089134 /nfs/dbraw/zinc/08/91/34/971089134.db2.gz CATZRMRUGTVGDC-MRVPVSSYSA-N -1 0 323.309 -0.486 20 0 DBADRM CC(=O)NC[C@@H](CO)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001573528012 946653517 /nfs/dbraw/zinc/65/35/17/946653517.db2.gz PECNZOXXAKIUAP-YFKPBYRVSA-N -1 0 317.762 -0.115 20 0 DBADRM CC(=O)CC1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCC1 ZINC001573366936 947750956 /nfs/dbraw/zinc/75/09/56/947750956.db2.gz VNXHMEPCZPOLOF-UHFFFAOYSA-N -1 0 318.341 -0.276 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H]2COC[C@@H]21)n1cnc(-c2nnn[n-]2)n1 ZINC001573638576 947840071 /nfs/dbraw/zinc/84/00/71/947840071.db2.gz QRCHBIWCQUCIHH-AEJSXWLSSA-N -1 0 318.341 -0.343 20 0 DBADRM C[C@@H](C(=O)N1Cc2cnn(C)c2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573650284 947909311 /nfs/dbraw/zinc/90/93/11/947909311.db2.gz AJIMHIZTWKOMBC-ZETCQYMHSA-N -1 0 314.313 -0.705 20 0 DBADRM C[C@H]1CCC[C@]1(O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000328062939 971443755 /nfs/dbraw/zinc/44/37/55/971443755.db2.gz BXXAFGOMSZJECR-CABZTGNLSA-N -1 0 317.367 -0.203 20 0 DBADRM Cc1nn(C)cc1C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485288217 1013089782 /nfs/dbraw/zinc/08/97/82/1013089782.db2.gz UYYVHJLLVAUMRE-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@H](C(=O)NC1(c2ncon2)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001570918652 948576492 /nfs/dbraw/zinc/57/64/92/948576492.db2.gz RUSWOCKECSUTFJ-ZCFIWIBFSA-N -1 0 316.285 -0.792 20 0 DBADRM O=C(NCc1nc(CO)n[nH]1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001570918906 948580007 /nfs/dbraw/zinc/58/00/07/948580007.db2.gz VOYONDYUUJOOJO-UHFFFAOYSA-N -1 0 316.281 -0.887 20 0 DBADRM CC1(C)CC[C@H]1NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001570921907 948629349 /nfs/dbraw/zinc/62/93/49/948629349.db2.gz QOFKNPLXOQZKBM-MRVPVSSYSA-N -1 0 319.325 -0.566 20 0 DBADRM CON1CCC(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001570922269 948637961 /nfs/dbraw/zinc/63/79/61/948637961.db2.gz HCIJAAVLKVPUSF-QMMMGPOBSA-N -1 0 321.345 -0.839 20 0 DBADRM C[C@@H](C(=O)Nc1ccn(CCF)n1)n1cnc(-c2nnn[n-]2)n1 ZINC001570922463 948642297 /nfs/dbraw/zinc/64/22/97/948642297.db2.gz JOCMDZPSVDTOIU-ZETCQYMHSA-N -1 0 320.292 -0.176 20 0 DBADRM COC(=O)C[C@@H](C)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001570922518 948644197 /nfs/dbraw/zinc/64/41/97/948644197.db2.gz KYKNHZOJKFTELH-SSDOTTSWSA-N -1 0 320.309 -0.043 20 0 DBADRM COC(C)(C)[C@@H](C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001570922794 948647099 /nfs/dbraw/zinc/64/70/99/948647099.db2.gz OHDUUOGYZMTAJB-MRVPVSSYSA-N -1 0 323.361 -0.429 20 0 DBADRM CC[C@](COC)(NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(=O)OC ZINC001589557509 948797190 /nfs/dbraw/zinc/79/71/90/948797190.db2.gz HWWWXTCZRHJZGZ-PRHODGIISA-N -1 0 302.283 -0.700 20 0 DBADRM CC[C@@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccncc1 ZINC001589561726 948821359 /nfs/dbraw/zinc/82/13/59/948821359.db2.gz DZHUIVYZLSDFNV-NEPJUHHUSA-N -1 0 321.333 -0.039 20 0 DBADRM CN(Cc1nccn1C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037838456 948846409 /nfs/dbraw/zinc/84/64/09/948846409.db2.gz CKQWXOJWQXUGQS-UHFFFAOYSA-N -1 0 316.383 -0.107 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1CC[C@@]2(O)C[C@H]2C1 ZINC001570932675 948863287 /nfs/dbraw/zinc/86/32/87/948863287.db2.gz WDNQRRJFYMTIBY-QPUJVOFHSA-N -1 0 322.350 -0.593 20 0 DBADRM CCN(CC)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001570932797 948864359 /nfs/dbraw/zinc/86/43/59/948864359.db2.gz XPFKLVCXGBSPQX-UHFFFAOYSA-N -1 0 322.329 -0.820 20 0 DBADRM CC[C@@](NC(=O)c1cccn(CC(=O)[O-])c1=O)(C(N)=O)C(C)C ZINC001589568675 948891401 /nfs/dbraw/zinc/89/14/01/948891401.db2.gz ONCRKWGWVIOZEL-HNNXBMFYSA-N -1 0 323.349 -0.047 20 0 DBADRM CC[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@H](O)C(F)F ZINC001589571052 948911503 /nfs/dbraw/zinc/91/15/03/948911503.db2.gz URZODPWUBOOLQK-CSMHCCOUSA-N -1 0 316.326 -0.226 20 0 DBADRM CC[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@@H](O)C(F)F ZINC001589571054 948912009 /nfs/dbraw/zinc/91/20/09/948912009.db2.gz URZODPWUBOOLQK-GJMOJQLCSA-N -1 0 316.326 -0.226 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H](NC(C)=O)C(C)C)C(=O)[O-] ZINC000059966405 948943983 /nfs/dbraw/zinc/94/39/83/948943983.db2.gz DYNIDOBKXWYYTM-GXSJLCMTSA-N -1 0 302.327 -0.330 20 0 DBADRM CC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC001589575822 948946790 /nfs/dbraw/zinc/94/67/90/948946790.db2.gz MSHOBEBQPVNBQF-APPZFPTMSA-N -1 0 319.339 -0.507 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC000080670719 949011322 /nfs/dbraw/zinc/01/13/22/949011322.db2.gz IBSUQEZZKOQDBU-MRVPVSSYSA-N -1 0 316.339 -0.140 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC=C[C@@H]2CO)C1 ZINC001589584701 949032030 /nfs/dbraw/zinc/03/20/30/949032030.db2.gz UCTMVVKCAQLEMV-ABAIWWIYSA-N -1 0 310.350 -0.151 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C2(OC)CS(=O)(=O)C2)C1 ZINC001589592352 949102692 /nfs/dbraw/zinc/10/26/92/949102692.db2.gz XGTCBLYXVTYXBA-GFCCVEGCSA-N -1 0 319.379 -0.097 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C2(OC)CS(=O)(=O)C2)C1 ZINC001589592361 949103867 /nfs/dbraw/zinc/10/38/67/949103867.db2.gz XGTCBLYXVTYXBA-LBPRGKRZSA-N -1 0 319.379 -0.097 20 0 DBADRM CC(C)n1cnnc1SCC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000090276021 949119794 /nfs/dbraw/zinc/11/97/94/949119794.db2.gz BKKRYYKCHLAONU-LLVKDONJSA-N -1 0 302.356 -0.097 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)c1nncn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001575255198 949224761 /nfs/dbraw/zinc/22/47/61/949224761.db2.gz YLJXABJHHVLEDL-NKWVEPMBSA-N -1 0 317.317 -0.975 20 0 DBADRM O=C([O-])c1ccc(/C=C\C(=O)N2CC3(C2)C[C@H](O)CNC3=O)o1 ZINC001595225374 949288051 /nfs/dbraw/zinc/28/80/51/949288051.db2.gz LGVUDKQOSLGMIE-MDHMXLOGSA-N -1 0 320.301 -0.300 20 0 DBADRM O=C([O-])c1ccc(/C=C/C(=O)N(CCO)CCOCCO)o1 ZINC001595226489 949301339 /nfs/dbraw/zinc/30/13/39/949301339.db2.gz YMOODYHKDGEPEK-DUXPYHPUSA-N -1 0 313.306 -0.179 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)N(CCOC)CCC(=O)[O-])C1 ZINC001589613828 949351874 /nfs/dbraw/zinc/35/18/74/949351874.db2.gz XNGOYXYWHXABMY-AWEZNQCLSA-N -1 0 316.354 -0.691 20 0 DBADRM CCC1(Cn2cc(C(=O)N3CCOC[C@@H]3C(=O)[O-])nn2)COC1 ZINC001589615754 949369001 /nfs/dbraw/zinc/36/90/01/949369001.db2.gz UVVCLWSOSNVBRO-LLVKDONJSA-N -1 0 324.337 -0.370 20 0 DBADRM C[C@@H]1CCC[C@H]1NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576155667 949413530 /nfs/dbraw/zinc/41/35/30/949413530.db2.gz JYYAXVGUTUDBSO-VXNVDRBHSA-N -1 0 319.325 -0.566 20 0 DBADRM O=C(C[C@@H]1CCS(=O)(=O)C1)NCC1(C(=O)[O-])CCOCC1 ZINC000165925022 949440763 /nfs/dbraw/zinc/44/07/63/949440763.db2.gz PMOFNHYAGPIKSO-JTQLQIEISA-N -1 0 319.379 -0.191 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@H]1O ZINC001589625241 949471426 /nfs/dbraw/zinc/47/14/26/949471426.db2.gz YYPWXAHDZMHLDC-DTWKUNHWSA-N -1 0 310.310 -0.865 20 0 DBADRM CC[C@H]1CN(CCS(=O)(=O)CC(=O)[O-])C[C@@]2(CCOC2)O1 ZINC001589627056 949500846 /nfs/dbraw/zinc/50/08/46/949500846.db2.gz WPFYSNBZEXXSRS-WCQYABFASA-N -1 0 321.395 -0.244 20 0 DBADRM CC[C@H]1CN(CCS(=O)(=O)CC(=O)[O-])C[C@]2(CCOC2)O1 ZINC001589627053 949501538 /nfs/dbraw/zinc/50/15/38/949501538.db2.gz WPFYSNBZEXXSRS-AAEUAGOBSA-N -1 0 321.395 -0.244 20 0 DBADRM CC(C)CC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001574123346 949557788 /nfs/dbraw/zinc/55/77/88/949557788.db2.gz UOGLTGILHMPILG-UHFFFAOYSA-N -1 0 307.314 -0.709 20 0 DBADRM CCC[C@]1(C)NC(=O)N(CCS(=O)(=O)CC(=O)[O-])C1=O ZINC001589635321 949611788 /nfs/dbraw/zinc/61/17/88/949611788.db2.gz GEPBQLQSAUQGKR-NSHDSACASA-N -1 0 306.340 -0.404 20 0 DBADRM CCC[C@]1(CO)CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC001589635388 949614412 /nfs/dbraw/zinc/61/44/12/949614412.db2.gz JOAJOJRJQWMURF-AWEZNQCLSA-N -1 0 300.355 -0.069 20 0 DBADRM O=C([O-])c1ccccc1OCCN1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001595258079 949637621 /nfs/dbraw/zinc/63/76/21/949637621.db2.gz VUXAMDPSFMPIHW-LLVKDONJSA-N -1 0 319.317 0.000 20 0 DBADRM O=C([O-])c1ccccc1OCCN1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001595258080 949638632 /nfs/dbraw/zinc/63/86/32/949638632.db2.gz VUXAMDPSFMPIHW-NSHDSACASA-N -1 0 319.317 0.000 20 0 DBADRM CCC[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])CCO1 ZINC001589638931 949647444 /nfs/dbraw/zinc/64/74/44/949647444.db2.gz HMXSSUKQYKRFDE-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1 ZINC000230755739 949693943 /nfs/dbraw/zinc/69/39/43/949693943.db2.gz QJHNYXYZLPMZSK-VIFPVBQESA-N -1 0 313.291 -0.498 20 0 DBADRM COCCNC(=O)CNC(=O)c1ccsc1CC(=O)[O-] ZINC000379124760 971601828 /nfs/dbraw/zinc/60/18/28/971601828.db2.gz NAYGZMWPHVZTBG-UHFFFAOYSA-N -1 0 300.336 -0.132 20 0 DBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC000230761546 949720162 /nfs/dbraw/zinc/72/01/62/949720162.db2.gz DOZJTYNIILXFMD-JGVFFNPUSA-N -1 0 322.364 -0.838 20 0 DBADRM O=C([O-])c1ccnc(NCCS(=O)(=O)N2CCOCC2)c1 ZINC001595265386 949737768 /nfs/dbraw/zinc/73/77/68/949737768.db2.gz MXAGTNGJHRTMRQ-UHFFFAOYSA-N -1 0 315.351 -0.146 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000231022602 949745242 /nfs/dbraw/zinc/74/52/42/949745242.db2.gz IPXVBYPDIPPLKJ-UHFFFAOYSA-N -1 0 316.339 -0.207 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCC23COCCN2CCOC3)cn1 ZINC001595267483 949766696 /nfs/dbraw/zinc/76/66/96/949766696.db2.gz ALWVDRKGRAXBHJ-UHFFFAOYSA-N -1 0 322.321 -0.994 20 0 DBADRM O=C([O-])c1cnc(C(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)cn1 ZINC001595268228 949787112 /nfs/dbraw/zinc/78/71/12/949787112.db2.gz UMNGMMCEBAPYAO-RYUDHWBXSA-N -1 0 318.289 -0.606 20 0 DBADRM O=C([O-])c1cnc(C(=O)OCCC2CS(=O)(=O)C2)cn1 ZINC001595268767 949801694 /nfs/dbraw/zinc/80/16/94/949801694.db2.gz OPXOBGVFWURIDP-UHFFFAOYSA-N -1 0 300.292 -0.234 20 0 DBADRM CCCCn1nnnc1CN1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001589658567 949827000 /nfs/dbraw/zinc/82/70/00/949827000.db2.gz CQRPFANCNQPGLC-ZDUSSCGKSA-N -1 0 313.358 -0.225 20 0 DBADRM CCCN(C)S(=O)(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001589659308 949844051 /nfs/dbraw/zinc/84/40/51/949844051.db2.gz JWXLGJFCVHPKCQ-NSHDSACASA-N -1 0 310.372 -0.625 20 0 DBADRM CCCN(C(=O)[C@H]1CC(C(=O)[O-])=NO1)[C@H]1CCS(=O)(=O)C1 ZINC001589659401 949846251 /nfs/dbraw/zinc/84/62/51/949846251.db2.gz RJQSKZZCARBHLH-WCBMZHEXSA-N -1 0 318.351 -0.358 20 0 DBADRM CCCN([C@H]1CCN(CC(=O)[O-])C1=O)[C@H]1CC(=O)N(C)C1=O ZINC001589660584 949863958 /nfs/dbraw/zinc/86/39/58/949863958.db2.gz QMPCEUMACDSGOZ-UWVGGRQHSA-N -1 0 311.338 -0.859 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1cccnc1 ZINC001589662382 949870419 /nfs/dbraw/zinc/87/04/19/949870419.db2.gz NLLWVIUYKDOFLJ-UHFFFAOYSA-N -1 0 315.351 -0.317 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)[C@@H](C)C(=O)N(C)C)c1[O-] ZINC001485293956 1013095224 /nfs/dbraw/zinc/09/52/24/1013095224.db2.gz NOTPKYOQCNXQLF-SCZZXKLOSA-N -1 0 311.386 -0.049 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)CCn1nc(C)oc1=O ZINC001589670598 949935304 /nfs/dbraw/zinc/93/53/04/949935304.db2.gz MKDDNJUSTKIAGF-UHFFFAOYSA-N -1 0 307.328 -0.729 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)C(=O)[O-] ZINC000379238145 971620603 /nfs/dbraw/zinc/62/06/03/971620603.db2.gz UMZRHGNREJLMEN-SNVBAGLBSA-N -1 0 323.305 -0.399 20 0 DBADRM O=C([O-])[C@]1(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CCCO1 ZINC001595279970 949965784 /nfs/dbraw/zinc/96/57/84/949965784.db2.gz GLVLDGUWISBXNT-WRWORJQWSA-N -1 0 324.255 -0.100 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CCC1 ZINC001595281813 949977410 /nfs/dbraw/zinc/97/74/10/949977410.db2.gz CVRHNBLYVXNTMF-JTQLQIEISA-N -1 0 316.379 -0.076 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC001595282963 949987147 /nfs/dbraw/zinc/98/71/47/949987147.db2.gz OTOLMHPGVGEFSS-UTLUCORTSA-N -1 0 317.367 -0.867 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC[C@H]1CNC(=O)C1)C2 ZINC001595285056 950004468 /nfs/dbraw/zinc/00/44/68/950004468.db2.gz JUCXIQDMPPDHGM-BFVZDQMLSA-N -1 0 311.338 -0.745 20 0 DBADRM CCCNC(=O)CN(CCC)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001589677047 950006499 /nfs/dbraw/zinc/00/64/99/950006499.db2.gz ZARFQQKAZGRHBS-UHFFFAOYSA-N -1 0 311.342 -0.259 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC(=O)CC2)CCS(=O)(=O)CC1 ZINC001595285604 950020228 /nfs/dbraw/zinc/02/02/28/950020228.db2.gz COBQGJIRMSFRAC-UHFFFAOYSA-N -1 0 303.336 -0.543 20 0 DBADRM O=C([O-])[C@]1(C(=O)OCC(=O)N2CCNC(=O)C2)CC=CCC1 ZINC001595287492 950049688 /nfs/dbraw/zinc/04/96/88/950049688.db2.gz GTRGYUJDXHBWAR-AWEZNQCLSA-N -1 0 310.306 -0.701 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CC(=O)N(CC(F)(F)F)C2)CCCO1 ZINC001595287977 950056365 /nfs/dbraw/zinc/05/63/65/950056365.db2.gz RIANJADLQPXEEF-SNVBAGLBSA-N -1 0 310.228 -0.189 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CC(=O)N(CC(F)(F)F)C2)CCCO1 ZINC001595287968 950057614 /nfs/dbraw/zinc/05/76/14/950057614.db2.gz RIANJADLQPXEEF-JTQLQIEISA-N -1 0 310.228 -0.189 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)Cc2cn(C)nn2)c1[O-] ZINC001485295889 1013097757 /nfs/dbraw/zinc/09/77/57/1013097757.db2.gz XHMDCIGGYVCWFI-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001595291422 950070907 /nfs/dbraw/zinc/07/09/07/950070907.db2.gz FUOSFWRPXYVLKE-QEYWKRMJSA-N -1 0 309.322 -0.171 20 0 DBADRM CCC[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(=O)OC ZINC001589686662 950084712 /nfs/dbraw/zinc/08/47/12/950084712.db2.gz SLBHWMUGQPXLSY-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC001595293121 950089833 /nfs/dbraw/zinc/08/98/33/950089833.db2.gz WBDWMGRWQTXVQY-KNXHDEMKSA-N -1 0 309.322 -0.266 20 0 DBADRM O=C([O-])[C@@H]1CCCCN1Cc1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001595293363 950091277 /nfs/dbraw/zinc/09/12/77/950091277.db2.gz SAPYDCCYZJEINA-QWRGUYRKSA-N -1 0 309.326 -0.174 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C1CCC2(CC1)NC(=O)NC2=O ZINC001595293444 950093930 /nfs/dbraw/zinc/09/39/30/950093930.db2.gz YDGUCRIDLUGFIT-FYTDKGOESA-N -1 0 309.322 -0.266 20 0 DBADRM CCCc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])no1 ZINC001589688786 950094091 /nfs/dbraw/zinc/09/40/91/950094091.db2.gz AAFOSFKPRNZHNY-JTQLQIEISA-N -1 0 316.335 -0.049 20 0 DBADRM CCCc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])no1 ZINC001589688787 950094156 /nfs/dbraw/zinc/09/41/56/950094156.db2.gz AAFOSFKPRNZHNY-SNVBAGLBSA-N -1 0 316.335 -0.049 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2C(=O)NCC23CCOCC3)C1 ZINC001595294089 950101150 /nfs/dbraw/zinc/10/11/50/950101150.db2.gz XHTRTZRGYKIRBQ-HBNTYKKESA-N -1 0 310.350 -0.101 20 0 DBADRM O=CN1CCC[C@@H]1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001595295747 950132414 /nfs/dbraw/zinc/13/24/14/950132414.db2.gz DBVRRDRBSSIKGO-GHMZBOCLSA-N -1 0 311.338 -0.811 20 0 DBADRM CCCc1nnc(SCCS(=O)(=O)CC(=O)[O-])n1N ZINC001589693337 950143325 /nfs/dbraw/zinc/14/33/25/950143325.db2.gz ONAFUAUNVYLTSC-UHFFFAOYSA-N -1 0 308.385 -0.464 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NC1CCN([C@@H]2CCOC2=O)CC1 ZINC001595296252 950144800 /nfs/dbraw/zinc/14/48/00/950144800.db2.gz YCBQZIKLFDPVTA-IJLUTSLNSA-N -1 0 310.350 -0.007 20 0 DBADRM CCN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)[C@H]1CCNC1=O ZINC001589700663 950234768 /nfs/dbraw/zinc/23/47/68/950234768.db2.gz VVKRYGMCHGORGL-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574743105 950313567 /nfs/dbraw/zinc/31/35/67/950313567.db2.gz RRHCGKMCLXCJQC-AEJSXWLSSA-N -1 0 316.369 -0.007 20 0 DBADRM CCN(C(=O)c1ccc(S(N)(=O)=O)nc1)[C@@H](C)C(=O)[O-] ZINC001589710722 950320654 /nfs/dbraw/zinc/32/06/54/950320654.db2.gz BDAWPEVJAXHOIA-ZETCQYMHSA-N -1 0 301.324 -0.336 20 0 DBADRM CCN([C@@H](C)C(=O)[O-])S(=O)(=O)CCn1nc(C)oc1=O ZINC001589713424 950346817 /nfs/dbraw/zinc/34/68/17/950346817.db2.gz QFMFCMRBYIKGIS-ZETCQYMHSA-N -1 0 307.328 -0.730 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589713638 950352187 /nfs/dbraw/zinc/35/21/87/950352187.db2.gz AALYMXCWKBWTAR-MRVPVSSYSA-N -1 0 322.321 -0.299 20 0 DBADRM CCN(CC)C(=O)COC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589721360 950427081 /nfs/dbraw/zinc/42/70/81/950427081.db2.gz LKIHVUITSJHSEZ-UHFFFAOYSA-N -1 0 310.306 -0.042 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001589730516 950501428 /nfs/dbraw/zinc/50/14/28/950501428.db2.gz LHBMHAMUQCYBTA-CQSZACIVSA-N -1 0 316.354 -0.833 20 0 DBADRM CCN(OC)C(=O)CNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001589739078 950552411 /nfs/dbraw/zinc/55/24/11/950552411.db2.gz CHYCWGMMXFXDKD-NXEZZACHSA-N -1 0 302.327 -0.218 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000380066415 971673124 /nfs/dbraw/zinc/67/31/24/971673124.db2.gz GUEKEYJAEONDNV-RQJHMYQMSA-N -1 0 314.310 -0.365 20 0 DBADRM CCN1C(=O)CO[C@H](C(=O)NCCC(=O)[O-])[C@H]1c1nccn1C ZINC001589739960 950566030 /nfs/dbraw/zinc/56/60/30/950566030.db2.gz GUCQLUAXXQIZBQ-RYUDHWBXSA-N -1 0 324.337 -0.701 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)NCCn1ncnn1 ZINC000380073627 971674181 /nfs/dbraw/zinc/67/41/81/971674181.db2.gz QTRUEXPDBQDHCQ-UHFFFAOYSA-N -1 0 303.325 -0.589 20 0 DBADRM CCN(Cc1ccncc1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001589740437 950580428 /nfs/dbraw/zinc/58/04/28/950580428.db2.gz KEOAXKAOFZABEX-GFCCVEGCSA-N -1 0 321.333 -0.258 20 0 DBADRM CCN1CC[C@H]1CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001589741201 950589604 /nfs/dbraw/zinc/58/96/04/950589604.db2.gz FHTYDUOPOWUCOP-RWMBFGLXSA-N -1 0 323.393 -0.234 20 0 DBADRM C[S@@](=O)C1(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000380123663 971678186 /nfs/dbraw/zinc/67/81/86/971678186.db2.gz ULDFEONJIYXYJU-LJQANCHMSA-N -1 0 321.380 -0.843 20 0 DBADRM CCN1CCN(CC(=O)Nc2ccc(C(=O)[O-])cn2)C(=O)C1=O ZINC001589744304 950648517 /nfs/dbraw/zinc/64/85/17/950648517.db2.gz OFIODLKJEFDNSN-UHFFFAOYSA-N -1 0 320.305 -0.591 20 0 DBADRM CCNC(=O)C1CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001589883040 950699260 /nfs/dbraw/zinc/69/92/60/950699260.db2.gz WHOOGMRWFGGKAU-UHFFFAOYSA-N -1 0 320.305 -0.687 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001589962010 950742832 /nfs/dbraw/zinc/74/28/32/950742832.db2.gz IPCQCUKUZJBFBK-CABZTGNLSA-N -1 0 320.367 -0.840 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001590057597 950770000 /nfs/dbraw/zinc/77/00/00/950770000.db2.gz GCJPXICAWSBNRT-NRPADANISA-N -1 0 314.338 -0.330 20 0 DBADRM CCOC(=O)[C@@](C)(O)CN1CCO[C@](COC)(C(=O)[O-])C1 ZINC001590058818 950780299 /nfs/dbraw/zinc/78/02/99/950780299.db2.gz RBYYLEQWMFJLQA-QWHCGFSZSA-N -1 0 305.327 -0.898 20 0 DBADRM CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)[C@@H](OC)C(=O)[O-] ZINC001590129064 950793215 /nfs/dbraw/zinc/79/32/15/950793215.db2.gz GBWORLQUSKYULI-LPEHRKFASA-N -1 0 303.311 -0.297 20 0 DBADRM CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)[C@@H](OC)C(=O)[O-] ZINC001590129063 950793373 /nfs/dbraw/zinc/79/33/73/950793373.db2.gz GBWORLQUSKYULI-KXUCPTDWSA-N -1 0 303.311 -0.297 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC000314499575 950819655 /nfs/dbraw/zinc/81/96/55/950819655.db2.gz FCGOKULQGVMDGC-QMMMGPOBSA-N -1 0 316.339 -0.988 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC000314937242 950832630 /nfs/dbraw/zinc/83/26/30/950832630.db2.gz MIBCXZUGOYUXLK-GXFFZTMASA-N -1 0 319.379 -0.097 20 0 DBADRM CC1(C)C[C@H](CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001575638869 950852447 /nfs/dbraw/zinc/85/24/47/950852447.db2.gz KWSDZQRXPUSPTM-SECBINFHSA-N -1 0 320.357 -0.220 20 0 DBADRM CCOC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001590208728 950889332 /nfs/dbraw/zinc/88/93/32/950889332.db2.gz MQZVFRYEUUNKKK-NXEZZACHSA-N -1 0 312.322 -0.669 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCN(c2ncccn2)CC1 ZINC000317422040 950905163 /nfs/dbraw/zinc/90/51/63/950905163.db2.gz KOQIDQRJNOWCDH-UHFFFAOYSA-N -1 0 309.326 -0.591 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NC[C@H](O)C(F)(F)F)c1 ZINC000380488411 971703013 /nfs/dbraw/zinc/70/30/13/971703013.db2.gz MHIUAACWINLKFA-LURJTMIESA-N -1 0 314.241 -0.019 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCC(=O)N2CCCC2)C1 ZINC000319290793 950953949 /nfs/dbraw/zinc/95/39/49/950953949.db2.gz HIRAUDRWRCEUTP-CQSZACIVSA-N -1 0 313.354 -0.259 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC000319468727 950958979 /nfs/dbraw/zinc/95/89/79/950958979.db2.gz QICCKEQZNOOXJO-HZMBPMFUSA-N -1 0 313.354 -0.273 20 0 DBADRM CNC(=O)CCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000380597714 971708442 /nfs/dbraw/zinc/70/84/42/971708442.db2.gz MSUWVZJMBMZUID-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001590648313 950962081 /nfs/dbraw/zinc/96/20/81/950962081.db2.gz GIXFRCDUBGQFCH-DTWKUNHWSA-N -1 0 300.311 -0.636 20 0 DBADRM O=C([O-])C[C@H]1CCCCN1C(=O)Cn1ncn2nccc2c1=O ZINC001594984395 951009043 /nfs/dbraw/zinc/00/90/43/951009043.db2.gz SXTNIXSJJDLYIX-SNVBAGLBSA-N -1 0 319.321 -0.253 20 0 DBADRM CCOC(=O)N1CSC[C@H]1C(=O)NCCOCC(=O)[O-] ZINC001590884131 951014834 /nfs/dbraw/zinc/01/48/34/951014834.db2.gz LOWITRBWBNMMAA-QMMMGPOBSA-N -1 0 306.340 -0.265 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](CO)C2)C1 ZINC001594987950 951031519 /nfs/dbraw/zinc/03/15/19/951031519.db2.gz PTBPMRYNZOGFOQ-VXGBXAGGSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cnn(C[C@@H](O)CO)c2)C1 ZINC001594993254 951053651 /nfs/dbraw/zinc/05/36/51/951053651.db2.gz WDGKHHUBVHIDRT-CMPLNLGQSA-N -1 0 311.338 -0.437 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2CC(N3CCOCC3)C2)CO1 ZINC001595000343 951113503 /nfs/dbraw/zinc/11/35/03/951113503.db2.gz JVQDKPJRDLJXNO-DGCLKSJQSA-N -1 0 312.366 -0.201 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)N2CCC(O)(CO)CC2)CO1 ZINC001595000934 951123058 /nfs/dbraw/zinc/12/30/58/951123058.db2.gz NVMUCGRASNXNKE-QWRGUYRKSA-N -1 0 301.339 -0.398 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NCC[C@@]2(O)CCOC2)CO1 ZINC001595001975 951140994 /nfs/dbraw/zinc/14/09/94/951140994.db2.gz QMSUHDOUFYTDSN-JTNHKYCSSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NC[C@@H]2CN3CCN2CC3)CO1 ZINC001595002007 951141192 /nfs/dbraw/zinc/14/11/92/951141192.db2.gz RANDOVXQFKRXTF-JHJVBQTASA-N -1 0 311.382 -0.628 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)OCCN2CCNC2=O)CO1 ZINC001595002574 951151404 /nfs/dbraw/zinc/15/14/04/951151404.db2.gz AAWPIRXTKKMOJU-VHSXEESVSA-N -1 0 300.311 -0.175 20 0 DBADRM CCOC(C)(C)CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001591531658 951158041 /nfs/dbraw/zinc/15/80/41/951158041.db2.gz NFGRVSKVUAUABL-VIFPVBQESA-N -1 0 302.327 -0.770 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H]1C(=O)[O-] ZINC000380120910 951181172 /nfs/dbraw/zinc/18/11/72/951181172.db2.gz QUSCCQNPGKJSNH-OPRDCNLKSA-N -1 0 304.368 -0.074 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)OCC(=O)N2CCCC2=O)CO1 ZINC001595007394 951221394 /nfs/dbraw/zinc/22/13/94/951221394.db2.gz VDLGFZNVYAWPDO-ZJUUUORDSA-N -1 0 313.306 -0.052 20 0 DBADRM Cc1cc(=O)n(CCS(=O)(=O)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000383716674 951258817 /nfs/dbraw/zinc/25/88/17/951258817.db2.gz CVHPGJRCXTUNOV-UHFFFAOYSA-N -1 0 304.280 -0.436 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCCS(C)(=O)=O)C1 ZINC000383744789 951258969 /nfs/dbraw/zinc/25/89/69/951258969.db2.gz GDIIVNXDWFZGKO-LLVKDONJSA-N -1 0 308.356 -0.836 20 0 DBADRM O=C([O-])c1cncc(NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000386740829 951303216 /nfs/dbraw/zinc/30/32/16/951303216.db2.gz DVFRIIWCDPZYBW-DTORHVGOSA-N -1 0 304.262 -0.484 20 0 DBADRM CCN(C(=O)c1cn(CC(=O)[O-])nn1)[C@H]1CCS(=O)(=O)C1 ZINC000387332542 951316271 /nfs/dbraw/zinc/31/62/71/951316271.db2.gz VTEFHUSFNWYSKA-QMMMGPOBSA-N -1 0 316.339 -0.988 20 0 DBADRM C[C@H](CNC(=O)c1ccoc1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575038894 951324545 /nfs/dbraw/zinc/32/45/45/951324545.db2.gz MVNRMRZTBKJSCJ-MRVPVSSYSA-N -1 0 314.309 -0.098 20 0 DBADRM NC(=O)C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC000388601988 951335254 /nfs/dbraw/zinc/33/52/54/951335254.db2.gz KJDSCANWSWQKIQ-UHFFFAOYSA-N -1 0 313.354 -0.225 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000388994246 951342105 /nfs/dbraw/zinc/34/21/05/951342105.db2.gz ATWYDAUVVWSYAL-NWDGAFQWSA-N -1 0 311.382 -0.280 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCCNC(=O)C2CC2)C1 ZINC000390126110 951369205 /nfs/dbraw/zinc/36/92/05/951369205.db2.gz GHTBEPBSAXSHOL-AWEZNQCLSA-N -1 0 313.354 -0.355 20 0 DBADRM CCOc1cccc(CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC001592862679 951372961 /nfs/dbraw/zinc/37/29/61/951372961.db2.gz HXUDQZDXSQGURX-UHFFFAOYSA-N -1 0 321.333 -0.222 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccccn1 ZINC001592970106 951377650 /nfs/dbraw/zinc/37/76/50/951377650.db2.gz CAOVACOBBWZWED-GXSJLCMTSA-N -1 0 307.306 -0.429 20 0 DBADRM O=C([O-])CCCCC(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001595032021 951378543 /nfs/dbraw/zinc/37/85/43/951378543.db2.gz QXOHBDBJXRHYCZ-AWEZNQCLSA-N -1 0 300.355 -0.463 20 0 DBADRM O=C([O-])CCCCCNC(=O)C(=O)N1CC(F)(F)C[C@H]1CO ZINC001595034747 951393718 /nfs/dbraw/zinc/39/37/18/951393718.db2.gz LNAWLOLODQUUGQ-VIFPVBQESA-N -1 0 322.308 -0.024 20 0 DBADRM CCOc1ccncc1S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC001593060573 951395205 /nfs/dbraw/zinc/39/52/05/951395205.db2.gz KQJFZOCHCCETQQ-NSHDSACASA-N -1 0 304.324 -0.406 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(=O)[nH]n2)C1 ZINC000391434945 951397783 /nfs/dbraw/zinc/39/77/83/951397783.db2.gz MUSXDNKTZNAJGG-ZDUSSCGKSA-N -1 0 310.310 -0.185 20 0 DBADRM O=C([O-])C1(CNC(=O)N[C@@H]2CCCCNC2=O)CCOCC1 ZINC000391553092 951401331 /nfs/dbraw/zinc/40/13/31/951401331.db2.gz SWGUKBJVEKANQE-SNVBAGLBSA-N -1 0 313.354 -0.164 20 0 DBADRM CCc1nnc(CNC(=O)N2CC[C@](COC)(C(=O)[O-])C2)[nH]1 ZINC000392302436 951417040 /nfs/dbraw/zinc/41/70/40/951417040.db2.gz AJWGYWGSEBPSQX-ZDUSSCGKSA-N -1 0 311.342 0.000 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC001595041023 951423053 /nfs/dbraw/zinc/42/30/53/951423053.db2.gz KSDVSSUFQZLATH-JTQLQIEISA-N -1 0 308.338 -0.246 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCC(O)(C(F)F)CC1 ZINC001595040943 951423174 /nfs/dbraw/zinc/42/31/74/951423174.db2.gz HQWWIKXKKIORQM-UHFFFAOYSA-N -1 0 322.308 -0.024 20 0 DBADRM O=C([O-])CCCCNC(=O)N1CCC(O)(COCCO)CC1 ZINC001595041965 951426071 /nfs/dbraw/zinc/42/60/71/951426071.db2.gz BPJKNGNRABENKV-UHFFFAOYSA-N -1 0 318.370 -0.213 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CC[C@H](C2OCCO2)C1 ZINC001595041310 951426586 /nfs/dbraw/zinc/42/65/86/951426586.db2.gz ZHQPPJOEFQXODX-JTQLQIEISA-N -1 0 314.338 -0.421 20 0 DBADRM C[S@](=O)C1(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CCC1 ZINC000393781581 951441725 /nfs/dbraw/zinc/44/17/25/951441725.db2.gz UKHHYXZIGFXBOU-YBYGRFCBSA-N -1 0 304.368 -0.217 20 0 DBADRM C[C@@H](CNC(=O)c1cnco1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575052518 951466916 /nfs/dbraw/zinc/46/69/16/951466916.db2.gz KTNNOXOXLNSILP-ZETCQYMHSA-N -1 0 315.297 -0.703 20 0 DBADRM N#Cc1ccc(NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000396645568 951480693 /nfs/dbraw/zinc/48/06/93/951480693.db2.gz LMMRQSSNGSWHEY-UHFFFAOYSA-N -1 0 316.317 -0.274 20 0 DBADRM O=C([O-])CCN(C(=O)c1ns[nH]c1=O)C1CCOCC1 ZINC001595055225 951486286 /nfs/dbraw/zinc/48/62/86/951486286.db2.gz PXOQSQPQEYSQNI-UHFFFAOYSA-N -1 0 301.324 -0.073 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CC[C@@H](O)[C@@H](CO)C2)CCOCC1 ZINC000396826979 951489410 /nfs/dbraw/zinc/48/94/10/951489410.db2.gz NRDCVFQETXVXLZ-GHMZBOCLSA-N -1 0 316.354 -0.748 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CC[C@@H](O)[C@H](CO)C2)CCOCC1 ZINC000396826983 951489820 /nfs/dbraw/zinc/48/98/20/951489820.db2.gz NRDCVFQETXVXLZ-WDEREUQCSA-N -1 0 316.354 -0.748 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC001595055674 951493082 /nfs/dbraw/zinc/49/30/82/951493082.db2.gz CEGATYHGOZZWAI-UWVGGRQHSA-N -1 0 315.395 -0.727 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC001595055603 951493163 /nfs/dbraw/zinc/49/31/63/951493163.db2.gz BKKOSBJEJAVAJO-LLVKDONJSA-N -1 0 307.306 -0.348 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCNC(=O)[C@@H]2c2ccccc2)C1=O ZINC001595073724 951617434 /nfs/dbraw/zinc/61/74/34/951617434.db2.gz GJZXHUKHAMHDPN-JSGCOSHPSA-N -1 0 317.345 -0.155 20 0 DBADRM CC[C@H](CNC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000400200361 951645598 /nfs/dbraw/zinc/64/55/98/951645598.db2.gz QTTBIUCGHSWKIN-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CC[C@@H](CNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400189249 951645610 /nfs/dbraw/zinc/64/56/10/951645610.db2.gz KYWDKMJGCDGVEP-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)[C@@H](O)C2CCOCC2)C1=O ZINC001595081398 951683463 /nfs/dbraw/zinc/68/34/63/951683463.db2.gz TUMBQCLZSLRHDU-KOLCDFICSA-N -1 0 301.295 -0.997 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@@H]2CCNC(=O)CC2)C1=O ZINC001595081643 951686731 /nfs/dbraw/zinc/68/67/31/951686731.db2.gz BOJMSVLJZOBXSC-VHSXEESVSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)COCc2cccnc2)C1=O ZINC001595081792 951689188 /nfs/dbraw/zinc/68/91/88/951689188.db2.gz XANGONMQZAWLKF-NSHDSACASA-N -1 0 308.290 -0.173 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)C[C@H]2C=CS(=O)(=O)C2)C1=O ZINC001595082177 951692860 /nfs/dbraw/zinc/69/28/60/951692860.db2.gz ZNQNJCFEABZZJW-RKDXNWHRSA-N -1 0 317.319 -0.837 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@H](CO)c2ccccn2)C1=O ZINC001595082216 951693965 /nfs/dbraw/zinc/69/39/65/951693965.db2.gz DGYLFRGXSZRZOK-CMPLNLGQSA-N -1 0 321.333 -0.446 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)c2nccn3ccnc23)C1=O ZINC001595082480 951698245 /nfs/dbraw/zinc/69/82/45/951698245.db2.gz SGMKCKDNDBJFGP-MRVPVSSYSA-N -1 0 304.262 -0.428 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCc2ccc(=O)[nH]c2)C1=O ZINC001595082589 951699984 /nfs/dbraw/zinc/69/99/84/951699984.db2.gz INARWZWZSBPFAM-SNVBAGLBSA-N -1 0 307.306 -0.273 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCOC[C@H]2C2CC2)C1=O ZINC001595082601 951700115 /nfs/dbraw/zinc/70/01/15/951700115.db2.gz GVVRXKPGDYUHDN-NEPJUHHUSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])CN1CC[C@H](Sc2nnc(Cn3cncn3)o2)C1=O ZINC001595083113 951706321 /nfs/dbraw/zinc/70/63/21/951706321.db2.gz ZCMMBBSKWGRCFR-ZETCQYMHSA-N -1 0 324.322 -0.513 20 0 DBADRM O=C([O-])CN1CC[C@@H](Sc2nnc(Cn3cncn3)o2)C1=O ZINC001595083111 951706346 /nfs/dbraw/zinc/70/63/46/951706346.db2.gz ZCMMBBSKWGRCFR-SSDOTTSWSA-N -1 0 324.322 -0.513 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@H](CCCO)C2)C1=O ZINC001595085951 951727236 /nfs/dbraw/zinc/72/72/36/951727236.db2.gz FKTSKEHVQYHFAF-RYUDHWBXSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCC[C@H](CCO)C2)C1=O ZINC001595086615 951735425 /nfs/dbraw/zinc/73/54/25/951735425.db2.gz LVXVAXCDLNELTB-VXGBXAGGSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCC[C@H](CO)CC2)C1=O ZINC001595086591 951735841 /nfs/dbraw/zinc/73/58/41/951735841.db2.gz LPLQSYFXYNDROO-RYUDHWBXSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@@](F)(CO)C2)C1=O ZINC001595087370 951745886 /nfs/dbraw/zinc/74/58/86/951745886.db2.gz SSCXCCGAIUKUFP-ZANVPECISA-N -1 0 302.302 -0.758 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)OCC(=O)[C@H]2CCOC2)C1=O ZINC001595087489 951746601 /nfs/dbraw/zinc/74/66/01/951746601.db2.gz OEUSNDSCXIJPIA-UWVGGRQHSA-N -1 0 313.306 -0.542 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC(F)(F)C[C@H]2CO)C1=O ZINC001595087763 951750335 /nfs/dbraw/zinc/75/03/35/951750335.db2.gz XWWMXKKRBKGTSB-IUCAKERBSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)O[C@@H]2CCN(CCF)C2)C1=O ZINC001595087997 951753529 /nfs/dbraw/zinc/75/35/29/951753529.db2.gz VXYYHYKPEAWDRC-MNOVXSKESA-N -1 0 316.329 -0.103 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NC[C@@H]2COCO2)C1=O ZINC001595090247 951765919 /nfs/dbraw/zinc/76/59/19/951765919.db2.gz GPFDDXVOCLAUBK-NXEZZACHSA-N -1 0 315.326 -0.876 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NC[C@@H]2COCO2)C1=O ZINC001595090250 951766320 /nfs/dbraw/zinc/76/63/20/951766320.db2.gz GPFDDXVOCLAUBK-ZJUUUORDSA-N -1 0 315.326 -0.876 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1=O ZINC001595090741 951771059 /nfs/dbraw/zinc/77/10/59/951771059.db2.gz SDXNANXCBRIPRM-NXEZZACHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)CCc2cn[nH]c2)C1=O ZINC001595090907 951772940 /nfs/dbraw/zinc/77/29/40/951772940.db2.gz USHAIEXQLJXWQS-LLVKDONJSA-N -1 0 308.338 -0.076 20 0 DBADRM O=C([O-])CN1CCCC[C@H](N2C(=O)N[C@@H](CCF)C2=O)C1=O ZINC001595091899 951784767 /nfs/dbraw/zinc/78/47/67/951784767.db2.gz GKYIYQYRAYLWRQ-IUCAKERBSA-N -1 0 315.301 -0.268 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)O[C@@H]2CCOC2)C1=O ZINC001595093974 951800971 /nfs/dbraw/zinc/80/09/71/951800971.db2.gz NENKRBNBWVNGHM-ZJUUUORDSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])CN1CCCC[C@H](OC(=O)[C@@H]2COCCO2)C1=O ZINC001595096104 951814749 /nfs/dbraw/zinc/81/47/49/951814749.db2.gz DUOREAMSTMYJES-UWVGGRQHSA-N -1 0 301.295 -0.589 20 0 DBADRM O=C([O-])CNC(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001595096927 951824402 /nfs/dbraw/zinc/82/44/02/951824402.db2.gz JAPNDLLXRWTXGH-KOLCDFICSA-N -1 0 307.224 -0.002 20 0 DBADRM O=C([O-])CNC(=O)CN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC001595097452 951832333 /nfs/dbraw/zinc/83/23/33/951832333.db2.gz IVMYPPLRRCTNPD-SWLSCSKDSA-N -1 0 310.325 -0.013 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1CCCN1CC(F)(F)F ZINC001595098727 951842967 /nfs/dbraw/zinc/84/29/67/951842967.db2.gz MNZYBEPABGGGMV-SSDOTTSWSA-N -1 0 312.244 -0.243 20 0 DBADRM O=C([O-])CNC(=O)CSCc1nnn(CC(F)(F)F)n1 ZINC001595098988 951846681 /nfs/dbraw/zinc/84/66/81/951846681.db2.gz DRIMQAMBSVGBKQ-UHFFFAOYSA-N -1 0 313.261 -0.331 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1nn(-c2ccccc2)cc1O ZINC001595099202 951848331 /nfs/dbraw/zinc/84/83/31/951848331.db2.gz QTDKVTCEHDKFKT-UHFFFAOYSA-N -1 0 319.273 -0.065 20 0 DBADRM O=C([O-])CNC(=O)CSCc1nnnn1CC(F)(F)F ZINC001595099391 951849384 /nfs/dbraw/zinc/84/93/84/951849384.db2.gz ZZOPAKQWUGZAOX-UHFFFAOYSA-N -1 0 313.261 -0.331 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001595100231 951850748 /nfs/dbraw/zinc/85/07/48/951850748.db2.gz NSCMFKJEODDBRN-MFKMUULPSA-N -1 0 308.290 -0.097 20 0 DBADRM O=C([O-])COCC(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001595107844 951892198 /nfs/dbraw/zinc/89/21/98/951892198.db2.gz WKJNHAVZTQWQQX-UHFFFAOYSA-N -1 0 320.367 -0.886 20 0 DBADRM O=C([O-])COCC(=O)Nc1cccc(N2C(=O)CNC2=O)c1 ZINC001595107942 951894061 /nfs/dbraw/zinc/89/40/61/951894061.db2.gz CXYOMBXPAKDVCM-UHFFFAOYSA-N -1 0 307.262 -0.218 20 0 DBADRM O=C([O-])COCC(=O)Nc1ccc([C@H]2NC(=O)NC2=O)cc1 ZINC001595107956 951894681 /nfs/dbraw/zinc/89/46/81/951894681.db2.gz FCYNGTHMODDENO-LLVKDONJSA-N -1 0 307.262 -0.393 20 0 DBADRM O=C([O-])COCC(=O)OCC(=O)NC(=O)NC1CCCC1 ZINC001595111029 951906837 /nfs/dbraw/zinc/90/68/37/951906837.db2.gz RPJOMGQLDBJLRG-UHFFFAOYSA-N -1 0 302.283 -0.601 20 0 DBADRM O=C([O-])COCCOCCNC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001595113076 951921599 /nfs/dbraw/zinc/92/15/99/951921599.db2.gz WMGUIHNKPHLULR-SNVBAGLBSA-N -1 0 311.338 -0.251 20 0 DBADRM O=C([O-])COCCNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC001595113854 951931396 /nfs/dbraw/zinc/93/13/96/951931396.db2.gz PPLFBDXTIILFQK-MFKMUULPSA-N -1 0 302.327 -0.275 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NC[C@H]1CCCCO1 ZINC001595114264 951935913 /nfs/dbraw/zinc/93/59/13/951935913.db2.gz YDSQSCJSCMIQOP-LLVKDONJSA-N -1 0 304.343 -0.028 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC001595114258 951936397 /nfs/dbraw/zinc/93/63/97/951936397.db2.gz YBPHXGPTCIRRNQ-NEPJUHHUSA-N -1 0 318.370 -0.046 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CC(O)(c2ccc(F)cc2)C1 ZINC001595123651 951989031 /nfs/dbraw/zinc/98/90/31/951989031.db2.gz MFEBOBUUZZWEJD-UHFFFAOYSA-N -1 0 317.338 -0.172 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC001595123754 951989973 /nfs/dbraw/zinc/98/99/73/951989973.db2.gz BXARGXAVLKODRZ-CBAPKCEASA-N -1 0 319.301 -0.127 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1C(=O)CC2(CCCC2)C1=O ZINC001595124204 951997141 /nfs/dbraw/zinc/99/71/41/951997141.db2.gz ZYBRPRHZKRATHP-UHFFFAOYSA-N -1 0 303.336 -0.195 20 0 DBADRM O=C([O-])CS(=O)(=O)CCn1c(=O)onc1-c1ccncc1 ZINC001595124656 952001874 /nfs/dbraw/zinc/00/18/74/952001874.db2.gz ANPFBBJJRWGHGG-UHFFFAOYSA-N -1 0 313.291 -0.602 20 0 DBADRM O=C([O-])CSCC(=O)N1CCS(=O)(=O)C[C@H]1C1CC1 ZINC001595126153 952014969 /nfs/dbraw/zinc/01/49/69/952014969.db2.gz KBIRNWVUVOBMPQ-VIFPVBQESA-N -1 0 307.393 -0.160 20 0 DBADRM O=C([O-])CSCC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC001595126413 952016027 /nfs/dbraw/zinc/01/60/27/952016027.db2.gz WBSVRSWIVNYPRO-RKDXNWHRSA-N -1 0 307.393 -0.018 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N2C[C@@H]3C[C@]3(O)C2)c1 ZINC001595130857 952033526 /nfs/dbraw/zinc/03/35/26/952033526.db2.gz VETJDYAYWWQPQQ-BONVTDFDSA-N -1 0 304.302 -0.155 20 0 DBADRM O=C([O-])Cn1cc(-c2noc([C@@H]3CCCOC3)n2)c(=O)[nH]c1=O ZINC001595139720 952070121 /nfs/dbraw/zinc/07/01/21/952070121.db2.gz BFJXSVFIAZIVGS-SSDOTTSWSA-N -1 0 322.277 -0.023 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC[C@H]3CCNC(=O)[C@H]32)nn1 ZINC001595141571 952082976 /nfs/dbraw/zinc/08/29/76/952082976.db2.gz BILLUERCJKJMFV-KWQFWETISA-N -1 0 307.310 -0.897 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@H]2COc3ccccc3[C@@H]2O)nn1 ZINC001595142366 952090250 /nfs/dbraw/zinc/09/02/50/952090250.db2.gz LSONBJMAGRATQU-GWCFXTLKSA-N -1 0 318.289 -0.413 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@@H](CO)Cc2ccc(F)cc2)nn1 ZINC001595142883 952095634 /nfs/dbraw/zinc/09/56/34/952095634.db2.gz RFMRXEMPMBKVMI-LLVKDONJSA-N -1 0 322.296 -0.165 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)nn1 ZINC001595143126 952096665 /nfs/dbraw/zinc/09/66/65/952096665.db2.gz UTWLOAWUGVAJND-VXGBXAGGSA-N -1 0 323.353 -0.966 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCOC3(CCOCC3)C2)nn1 ZINC001595143366 952099844 /nfs/dbraw/zinc/09/98/44/952099844.db2.gz ZTAQRTFNSCTZNQ-UHFFFAOYSA-N -1 0 310.310 -0.616 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@H](CO)Cc2ccc(O)cc2)nn1 ZINC001595143627 952102623 /nfs/dbraw/zinc/10/26/23/952102623.db2.gz MIZWBGUSHICJDH-JTQLQIEISA-N -1 0 320.305 -0.598 20 0 DBADRM O=C([O-])Cn1cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)nn1 ZINC001595144637 952107719 /nfs/dbraw/zinc/10/77/19/952107719.db2.gz JXPSEHDNYFHEPT-UHFFFAOYSA-N -1 0 305.176 -0.248 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NC2CCSCC2)n1 ZINC001595147441 952119671 /nfs/dbraw/zinc/11/96/71/952119671.db2.gz BYLDFDOQLDGIQF-UHFFFAOYSA-N -1 0 312.351 -0.082 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)CN2CCCCC(=O)C2=O)cn1 ZINC001595148190 952125052 /nfs/dbraw/zinc/12/50/52/952125052.db2.gz DYJIOKPVBVOCIZ-UHFFFAOYSA-N -1 0 308.294 -0.512 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CC[C@H]3COC[C@@H]3C2)n1 ZINC001595148441 952127148 /nfs/dbraw/zinc/12/71/48/952127148.db2.gz RFTMTZDSGNQARJ-UWVGGRQHSA-N -1 0 322.321 -0.599 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CC[C@@]23CCOC3)n1 ZINC001595148656 952129247 /nfs/dbraw/zinc/12/92/47/952129247.db2.gz UGHWTUJOTSACRX-ZDUSSCGKSA-N -1 0 308.294 -0.702 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCCn2cccc2)n1 ZINC001595151076 952132526 /nfs/dbraw/zinc/13/25/26/952132526.db2.gz CWQKGYVZHZXFSU-UHFFFAOYSA-N -1 0 305.294 -0.476 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N[C@@H](CO)[C@@H]2CCCOC2)n1 ZINC001595152158 952143079 /nfs/dbraw/zinc/14/30/79/952143079.db2.gz NXNBMCAEDHUDJO-ZJUUUORDSA-N -1 0 312.326 -0.123 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCC(=O)N2CCCCC2)c1=O ZINC001595154402 952156471 /nfs/dbraw/zinc/15/64/71/952156471.db2.gz GJOGAGBJZJWIAB-UHFFFAOYSA-N -1 0 321.333 -0.325 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@]2(CCO)CCOC2)c1=O ZINC001595154469 952157089 /nfs/dbraw/zinc/15/70/89/952157089.db2.gz HWUFWYCMXZCMEV-CQSZACIVSA-N -1 0 310.306 -0.796 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@H]2CCC3(C2)OCCO3)c1=O ZINC001595154670 952157846 /nfs/dbraw/zinc/15/78/46/952157846.db2.gz JJOGTLNANWFYLO-JTQLQIEISA-N -1 0 322.317 -0.042 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)n1 ZINC001595158124 952176991 /nfs/dbraw/zinc/17/69/91/952176991.db2.gz NYIVBKWZTWAZMW-ZETCQYMHSA-N -1 0 300.296 -0.750 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)OC[C@@H]2C[C@H]3COC[C@@H]3O2)c1=O ZINC001595158785 952183734 /nfs/dbraw/zinc/18/37/34/952183734.db2.gz VNMGPGAFJGWJNZ-NHCYSSNCSA-N -1 0 323.301 -0.106 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001595164175 952201920 /nfs/dbraw/zinc/20/19/20/952201920.db2.gz XJZMYVUIICOOAQ-SECBINFHSA-N -1 0 305.294 -0.786 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1 ZINC001595175166 952235871 /nfs/dbraw/zinc/23/58/71/952235871.db2.gz AUWWLEGNCAXWAA-ZNSHCXBVSA-N -1 0 316.379 -0.074 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(Cc1nnnn1CC(F)(F)F)C2 ZINC001595192096 952287149 /nfs/dbraw/zinc/28/71/49/952287149.db2.gz FQSXHQFLKKNLFU-XVKPBYJWSA-N -1 0 321.259 -0.232 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1C[C@@H]1CCCO1)C2 ZINC001595202895 952317820 /nfs/dbraw/zinc/31/78/20/952317820.db2.gz ISAGCIGUOCNSJK-GBIKHYSHSA-N -1 0 309.326 -0.611 20 0 DBADRM O=C([O-])c1c[nH]nc1NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001595205497 952323206 /nfs/dbraw/zinc/32/32/06/952323206.db2.gz LCDNEKRUWJTKQR-ZCFIWIBFSA-N -1 0 304.266 -0.177 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCO[C@H](CN3CCOCC3)C2)[nH]n1 ZINC001595206483 952329705 /nfs/dbraw/zinc/32/97/05/952329705.db2.gz BMFBQLJCQMDQOC-SNVBAGLBSA-N -1 0 324.337 -0.719 20 0 DBADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCS(=O)(=O)N2)ccc1O ZINC001595209016 952354553 /nfs/dbraw/zinc/35/45/53/952354553.db2.gz VJAYYOGCCGSBFR-QMMMGPOBSA-N -1 0 300.292 -0.279 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)NCC(F)(F)C(=O)[O-])cc1 ZINC000383375232 971866254 /nfs/dbraw/zinc/86/62/54/971866254.db2.gz KQBJFYRTVSRKAA-UHFFFAOYSA-N -1 0 308.262 -0.216 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000383476726 971871849 /nfs/dbraw/zinc/87/18/49/971871849.db2.gz SMTZXNFJMSPLMA-VIFPVBQESA-N -1 0 303.336 -0.021 20 0 DBADRM COCC1(O)CN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000383995098 971905437 /nfs/dbraw/zinc/90/54/37/971905437.db2.gz QGHZIJNGIPSFGW-UHFFFAOYSA-N -1 0 315.347 -0.092 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000402496615 953352608 /nfs/dbraw/zinc/35/26/08/953352608.db2.gz FFQGCFXZJWAWFC-IONNQARKSA-N -1 0 301.324 -0.903 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NC1(C(=O)[O-])CCOCC1 ZINC001593354078 953352989 /nfs/dbraw/zinc/35/29/89/953352989.db2.gz QZOVSVIYUXOKHI-UHFFFAOYSA-N -1 0 308.356 -0.982 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)CSCC(=O)[O-])[C@H](C)C1 ZINC001593353932 953353286 /nfs/dbraw/zinc/35/32/86/953353286.db2.gz NYCKIGYRMXVNAA-SECBINFHSA-N -1 0 324.424 -0.313 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)NC[C@H](O)Cn1ccnn1 ZINC001594738171 953355023 /nfs/dbraw/zinc/35/50/23/953355023.db2.gz KZIQJGVSKULVDO-QMMMGPOBSA-N -1 0 306.282 -0.446 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001593355055 953355444 /nfs/dbraw/zinc/35/54/44/953355444.db2.gz FLDILTYHYDVYKH-DVVUODLYSA-N -1 0 318.395 -0.117 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC1 ZINC001593355072 953355588 /nfs/dbraw/zinc/35/55/88/953355588.db2.gz IDDGBZKTZCECNW-GFCCVEGCSA-N -1 0 322.383 -0.594 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC000402570466 953358132 /nfs/dbraw/zinc/35/81/32/953358132.db2.gz MMVSCTQEJWZVEO-WPRPVWTQSA-N -1 0 309.326 -0.547 20 0 DBADRM CC[S@](=O)CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593459673 953369062 /nfs/dbraw/zinc/36/90/62/953369062.db2.gz GIOWRQFQVXUWOF-TVLKGPQESA-N -1 0 304.368 -0.502 20 0 DBADRM O=C([O-])C1(CNC(=O)N[C@@H](CO)[C@H]2CCOC2)CCOCC1 ZINC001594742680 953370755 /nfs/dbraw/zinc/37/07/55/953370755.db2.gz YEMFTKVWDYTLBE-QWRGUYRKSA-N -1 0 316.354 -0.436 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589266357 953372721 /nfs/dbraw/zinc/37/27/21/953372721.db2.gz RNJAPYJZUFKSGZ-LLHIFLOGSA-N -1 0 312.366 -0.169 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589266358 953372739 /nfs/dbraw/zinc/37/27/39/953372739.db2.gz RNJAPYJZUFKSGZ-LSKIRQOJSA-N -1 0 312.366 -0.169 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])[C@@H](C)O1 ZINC001589266785 953374903 /nfs/dbraw/zinc/37/49/03/953374903.db2.gz WQPMQENFOLBUPY-DOLQZWNJSA-N -1 0 305.352 -0.490 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2nc[nH]n2)C1 ZINC001589266730 953375281 /nfs/dbraw/zinc/37/52/81/953375281.db2.gz VAWCUQFRYBBWDU-IUCAKERBSA-N -1 0 309.326 -0.668 20 0 DBADRM CCn1cc(CNC(=O)NCC2(C(=O)[O-])CCOCC2)nn1 ZINC000404416777 953376515 /nfs/dbraw/zinc/37/65/15/953376515.db2.gz ORHBEKKUTAKOGG-UHFFFAOYSA-N -1 0 311.342 -0.021 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC001589268078 953382119 /nfs/dbraw/zinc/38/21/19/953382119.db2.gz IQZMHZIEMVTITQ-BDAKNGLRSA-N -1 0 304.368 -0.553 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC001589268279 953383138 /nfs/dbraw/zinc/38/31/38/953383138.db2.gz IQZMHZIEMVTITQ-DTWKUNHWSA-N -1 0 304.368 -0.553 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001594746626 953394354 /nfs/dbraw/zinc/39/43/54/953394354.db2.gz ZYAVPBTTXLONRJ-YGOYTEALSA-N -1 0 305.352 -0.847 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](O)C2)c1 ZINC001594748150 953399449 /nfs/dbraw/zinc/39/94/49/953399449.db2.gz HSSOWGVIGJISNP-LDYMZIIASA-N -1 0 307.306 -0.005 20 0 DBADRM CC[C@@H](NC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC001593604581 953424582 /nfs/dbraw/zinc/42/45/82/953424582.db2.gz OHNUNJGADFMBFV-MNOVXSKESA-N -1 0 312.297 -0.104 20 0 DBADRM CC[C@@H](NC(=O)c1nnn(Cc2noc(C)n2)c1C)C(=O)[O-] ZINC001593606908 953434837 /nfs/dbraw/zinc/43/48/37/953434837.db2.gz HALJTHHARWSYBB-MRVPVSSYSA-N -1 0 308.298 -0.081 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@H]2CCSC2)CCO1 ZINC001594751567 953444167 /nfs/dbraw/zinc/44/41/67/953444167.db2.gz UDMVJSSNQIKPIC-RKDXNWHRSA-N -1 0 302.352 -0.832 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCC2CC(F)(F)C2)CCO1 ZINC001594754689 953464810 /nfs/dbraw/zinc/46/48/10/953464810.db2.gz ZNJXWFBZRCBWGE-VIFPVBQESA-N -1 0 320.292 -0.150 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCC2CC(F)(F)C2)CCO1 ZINC001594754687 953464877 /nfs/dbraw/zinc/46/48/77/953464877.db2.gz ZNJXWFBZRCBWGE-SECBINFHSA-N -1 0 320.292 -0.150 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NCCCn2cncn2)c1 ZINC001594758436 953486110 /nfs/dbraw/zinc/48/61/10/953486110.db2.gz MVOGKQRCTPXRMF-UHFFFAOYSA-N -1 0 318.293 -0.484 20 0 DBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCO)C1=O ZINC001594758870 953495208 /nfs/dbraw/zinc/49/52/08/953495208.db2.gz NJJXUROEQNYHRE-RYUDHWBXSA-N -1 0 321.333 -0.295 20 0 DBADRM O=C(NCCO[C@@H]1CC1(F)F)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594758968 953497186 /nfs/dbraw/zinc/49/71/86/953497186.db2.gz SOAWANZUJMPMFZ-GJMOJQLCSA-N -1 0 306.265 -0.494 20 0 DBADRM CC[C@H](CO)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593615174 953497500 /nfs/dbraw/zinc/49/75/00/953497500.db2.gz XANGHBGPSNYFJS-NXEZZACHSA-N -1 0 301.343 -0.478 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCCn1cncn1 ZINC001594765827 953529542 /nfs/dbraw/zinc/52/95/42/953529542.db2.gz ADKIGTGQUFRNRV-UHFFFAOYSA-N -1 0 304.266 -0.874 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)NCCn2ccnc2)CC1 ZINC001594766268 953533523 /nfs/dbraw/zinc/53/35/23/953533523.db2.gz PIADQJYAPXNNGQ-UHFFFAOYSA-N -1 0 308.338 -0.241 20 0 DBADRM CCc1[nH]ccc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001593625498 953544611 /nfs/dbraw/zinc/54/46/11/953544611.db2.gz BUKULDSHEKSAFY-SNVBAGLBSA-N -1 0 300.336 -0.099 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1C[C@H](C)C[C@H](CO)C1)C(=O)[O-] ZINC001589285764 953568466 /nfs/dbraw/zinc/56/84/66/953568466.db2.gz FZQRBINYEWYWEK-WOPDTQHZSA-N -1 0 314.382 -0.064 20 0 DBADRM C[C@@H]1C[C@H](CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@H](C)O1 ZINC001589285868 953570663 /nfs/dbraw/zinc/57/06/63/953570663.db2.gz ICAUDLKWXJOZMC-YTWAJWBKSA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@@H]1C[C@H](Cn2nnnc2N2CCO[C@@H](C(=O)[O-])C2)[C@@H](C)O1 ZINC001589289640 953588623 /nfs/dbraw/zinc/58/86/23/953588623.db2.gz KNXNGZGPIVEIOG-GWOFURMSSA-N -1 0 311.342 -0.224 20 0 DBADRM CCc1cc(NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)n(C)n1 ZINC001593633068 953588994 /nfs/dbraw/zinc/58/89/94/953588994.db2.gz UFICRMFSRDDXRR-UHFFFAOYSA-N -1 0 320.309 -0.159 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NCc1cccnn1)C1CCC1 ZINC001594776945 953592724 /nfs/dbraw/zinc/59/27/24/953592724.db2.gz BXBMOYCFNRJHIS-NSHDSACASA-N -1 0 306.322 -0.290 20 0 DBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1CCS(=O)(=O)CC(=O)[O-] ZINC001589290675 953597620 /nfs/dbraw/zinc/59/76/20/953597620.db2.gz YAIDUPLSGUACMF-NEPJUHHUSA-N -1 0 320.411 -0.719 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCc2nc(C3CC3)no2)C1 ZINC001594777269 953599365 /nfs/dbraw/zinc/59/93/65/953599365.db2.gz SBEKHNQBUVVWKZ-MRVPVSSYSA-N -1 0 308.294 -0.504 20 0 DBADRM O=C(NCc1nc2c(c(=O)[nH]1)COCC2)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594777461 953602285 /nfs/dbraw/zinc/60/22/85/953602285.db2.gz AKCMCRLVIFVLIE-OCAPTIKFSA-N -1 0 322.321 -0.083 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)c2ncnn21 ZINC001589294195 953629169 /nfs/dbraw/zinc/62/91/69/953629169.db2.gz VAVQRCJJVKDUKE-OPRDCNLKSA-N -1 0 321.337 -0.277 20 0 DBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@H]1C(=O)[O-] ZINC000384639142 971949018 /nfs/dbraw/zinc/94/90/18/971949018.db2.gz VPMMZKFFOBKGQP-BDAKNGLRSA-N -1 0 324.424 -0.267 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001593654348 953737455 /nfs/dbraw/zinc/73/74/55/953737455.db2.gz BSENYWLTUJAKRC-VIFPVBQESA-N -1 0 303.340 -0.543 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N(CCOC)CC(=O)[O-] ZINC001593654432 953738990 /nfs/dbraw/zinc/73/89/90/953738990.db2.gz HGZHGRSXQFAMDM-UHFFFAOYSA-N -1 0 305.356 -0.296 20 0 DBADRM CCc1noc(COCC(=O)N(CCOC)CC(=O)[O-])n1 ZINC001593657418 953758059 /nfs/dbraw/zinc/75/80/59/953758059.db2.gz ZZIPQEDCVSQNMR-UHFFFAOYSA-N -1 0 301.299 -0.292 20 0 DBADRM C[C@H]1CC[C@H](C(=O)[O-])CN1Cn1nnc2c(cnn2C)c1=O ZINC001589307964 953760404 /nfs/dbraw/zinc/76/04/04/953760404.db2.gz GHOLIXIMVGKLRC-IUCAKERBSA-N -1 0 306.326 -0.332 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cn1nnc2c(cnn2C)c1=O ZINC001589307965 953761355 /nfs/dbraw/zinc/76/13/55/953761355.db2.gz GHOLIXIMVGKLRC-RKDXNWHRSA-N -1 0 306.326 -0.332 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)[C@@]2(C(=O)[O-])CCCO2)CS1(=O)=O ZINC001589312492 953801493 /nfs/dbraw/zinc/80/14/93/953801493.db2.gz WYUUOEAJTVCHGS-VDDIYKPWSA-N -1 0 305.352 -0.298 20 0 DBADRM CC1CCC(NS(=O)(=O)CC(=O)OCC(=O)C(=O)[O-])CC1 ZINC001589313579 953816649 /nfs/dbraw/zinc/81/66/49/953816649.db2.gz YIAUXJIRHRGQPP-UHFFFAOYSA-N -1 0 321.351 -0.319 20 0 DBADRM CCn1cc(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)cn1 ZINC001593664855 953823539 /nfs/dbraw/zinc/82/35/39/953823539.db2.gz BMQQIPJNQKJEHU-NSHDSACASA-N -1 0 308.338 -0.158 20 0 DBADRM CCn1cc(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC001593665019 953826927 /nfs/dbraw/zinc/82/69/27/953826927.db2.gz ONHHBVJFTPNCFI-QMTHXVAHSA-N -1 0 307.306 -0.355 20 0 DBADRM CN1CCCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001598600268 1017326537 /nfs/dbraw/zinc/32/65/37/1017326537.db2.gz GOKMNNWCDNCZJG-VHSXEESVSA-N -1 0 304.368 -0.819 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)c1 ZINC001594815238 953855051 /nfs/dbraw/zinc/85/50/51/953855051.db2.gz NZQBQCQCKJXTLI-PHIMTYICSA-N -1 0 321.289 -0.656 20 0 DBADRM CCn1cccc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001593667344 953858610 /nfs/dbraw/zinc/85/86/10/953858610.db2.gz BTQJYZYNRGSSIW-SNVBAGLBSA-N -1 0 300.336 -0.168 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001589320946 953872061 /nfs/dbraw/zinc/87/20/61/953872061.db2.gz YZTLDPGNXCDLIV-UWVGGRQHSA-N -1 0 312.322 -0.526 20 0 DBADRM CCn1nc(C)cc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001593670449 953876764 /nfs/dbraw/zinc/87/67/64/953876764.db2.gz WZUBWXQYRRIKSE-SNVBAGLBSA-N -1 0 315.351 -0.465 20 0 DBADRM O=C([O-])C(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC001594822771 953917279 /nfs/dbraw/zinc/91/72/79/953917279.db2.gz IMSCRPVFGXQILF-SECBINFHSA-N -1 0 306.274 -0.373 20 0 DBADRM O=C([O-])C(=O)COC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC001594822765 953917308 /nfs/dbraw/zinc/91/73/08/953917308.db2.gz IJCVAFGSKOXPLE-UHFFFAOYSA-N -1 0 320.257 -0.451 20 0 DBADRM CN(C(=O)C(=O)Nc1ccccc1CC(=O)[O-])[C@@H]1CCNC1=O ZINC001593676069 953928179 /nfs/dbraw/zinc/92/81/79/953928179.db2.gz IJBLAJILJAUJJF-LLVKDONJSA-N -1 0 319.317 -0.401 20 0 DBADRM CN(C(=O)[C@]1(C(=O)[O-])CC1(C)C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001593676390 953930884 /nfs/dbraw/zinc/93/08/84/953930884.db2.gz NDDARNTUUPKOCM-RNCFNFMXSA-N -1 0 318.395 -0.020 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cc3n(n2)CCC[C@H]3O)CC1 ZINC001594827007 953945192 /nfs/dbraw/zinc/94/51/92/953945192.db2.gz RQXRVDNPPFQKDM-LLVKDONJSA-N -1 0 322.321 -0.921 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](O)[C@H](F)C2)C[C@H]1C(=O)[O-] ZINC001589332511 953953019 /nfs/dbraw/zinc/95/30/19/953953019.db2.gz KXSKPJQAHOBPJD-DBIOUOCHSA-N -1 0 316.329 -0.513 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cccc3[nH]c(=O)[nH]c32)CC1 ZINC001594828208 953954445 /nfs/dbraw/zinc/95/44/45/953954445.db2.gz IJCKNIVCRYIDRK-UHFFFAOYSA-N -1 0 318.289 -0.363 20 0 DBADRM CN(C(=O)c1cc(C(=O)[O-])n[nH]1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001593682323 953968011 /nfs/dbraw/zinc/96/80/11/953968011.db2.gz FLEIKYWQURXJSO-ZETCQYMHSA-N -1 0 316.339 -0.786 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)C1CCCC1 ZINC001594831649 953971029 /nfs/dbraw/zinc/97/10/29/953971029.db2.gz FXKAJUFLRBSMIP-ZJUUUORDSA-N -1 0 309.322 -0.360 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001593686649 953991989 /nfs/dbraw/zinc/99/19/89/953991989.db2.gz FBJNMBZFAOXNJG-IINYFYTJSA-N -1 0 313.354 -0.166 20 0 DBADRM CN(C)C(=O)O[C@@H]1CCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001593687019 953994600 /nfs/dbraw/zinc/99/46/00/953994600.db2.gz POLPZKNEDSJPJB-MRVPVSSYSA-N -1 0 311.298 -0.725 20 0 DBADRM C[C@@H]1CCN(C(=O)CCN2CCCS2(=O)=O)C[C@@H]1C(=O)[O-] ZINC001589336294 953994741 /nfs/dbraw/zinc/99/47/41/953994741.db2.gz CEGVVLQAMLYVAT-MNOVXSKESA-N -1 0 318.395 -0.019 20 0 DBADRM CN(C)C(=O)CNC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001593688188 954001701 /nfs/dbraw/zinc/00/17/01/954001701.db2.gz AFRASKYKUIWWQZ-OPASDULOSA-N -1 0 313.354 -0.214 20 0 DBADRM CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(C(=O)[O-])n[n-]2)CC1 ZINC001593688262 954003236 /nfs/dbraw/zinc/00/32/36/954003236.db2.gz FXCXJLYDEDGNJF-UHFFFAOYSA-N -1 0 323.353 -0.610 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC001593688624 954007359 /nfs/dbraw/zinc/00/73/59/954007359.db2.gz ZLAQRMBECFYDDH-UHFFFAOYSA-N -1 0 320.349 -0.374 20 0 DBADRM C[C@H]1CCN(C(=O)NCCCc2nnnn2C)C[C@@H]1C(=O)[O-] ZINC001589341348 954025413 /nfs/dbraw/zinc/02/54/13/954025413.db2.gz XGMIATSZOACIET-UWVGGRQHSA-N -1 0 310.358 -0.105 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCCc2nnnn2C)C[C@@H]1C(=O)[O-] ZINC001589341350 954025695 /nfs/dbraw/zinc/02/56/95/954025695.db2.gz XGMIATSZOACIET-ZJUUUORDSA-N -1 0 310.358 -0.105 20 0 DBADRM CN(CCOCCO)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000385107801 971981688 /nfs/dbraw/zinc/98/16/88/971981688.db2.gz RRINFCQBUMEHNF-UHFFFAOYSA-N -1 0 317.363 -0.057 20 0 DBADRM C[NH+](C)C[C@H]1COC2(CCCC2)CN1CC(=O)NCC(=O)[O-] ZINC001593695893 954074527 /nfs/dbraw/zinc/07/45/27/954074527.db2.gz VGYFAOSIVXNLBI-LBPRGKRZSA-N -1 0 313.398 -0.238 20 0 DBADRM C[C@@H]1CCN(C(=O)c2nc(N)nc(N(C)C)n2)C[C@H]1C(=O)[O-] ZINC001589351195 954081006 /nfs/dbraw/zinc/08/10/06/954081006.db2.gz SMUDBCKKBLWCAZ-HTQZYQBOSA-N -1 0 308.342 -0.297 20 0 DBADRM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCCC(=O)[O-])C1 ZINC001593704196 954146270 /nfs/dbraw/zinc/14/62/70/954146270.db2.gz PRXJPUIQOGZIJT-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001593704617 954148122 /nfs/dbraw/zinc/14/81/22/954148122.db2.gz WXWATRWIULPZDG-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001593708291 954158806 /nfs/dbraw/zinc/15/88/06/954158806.db2.gz QAECBZOLOKRPGB-LBPRGKRZSA-N -1 0 322.383 -0.231 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(c2cc(C(=O)[O-])ccn2)CC1 ZINC001593708403 954161165 /nfs/dbraw/zinc/16/11/65/954161165.db2.gz XZONTUBGQZRCCH-UHFFFAOYSA-N -1 0 314.367 -0.292 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN1CCC[C@@H]1C(=O)[O-] ZINC001593708754 954165614 /nfs/dbraw/zinc/16/56/14/954165614.db2.gz YNLAROVVEAEAPO-SECBINFHSA-N -1 0 302.356 -0.413 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CCN(c3ncccn3)CC2)CCCO1 ZINC001594849866 954171368 /nfs/dbraw/zinc/17/13/68/954171368.db2.gz VNYPRMYAKXBADM-AWEZNQCLSA-N -1 0 306.322 -0.241 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CCn3nnc(CO)c3C2)CC=CCC1 ZINC001594850772 954183261 /nfs/dbraw/zinc/18/32/61/954183261.db2.gz YXMFDDXDHWRZFC-AWEZNQCLSA-N -1 0 306.322 -0.076 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[C@@H]1C(=O)[O-] ZINC001589365598 954188232 /nfs/dbraw/zinc/18/82/32/954188232.db2.gz QZEZGPMVWCGUDD-ZDEQEGDKSA-N -1 0 323.393 -0.282 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CC(=O)N1 ZINC001589365982 954193407 /nfs/dbraw/zinc/19/34/07/954193407.db2.gz DJCLDDNWQPNGRH-ZETCQYMHSA-N -1 0 306.278 -0.935 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCCO1 ZINC001589366446 954201335 /nfs/dbraw/zinc/20/13/35/954201335.db2.gz OADFBWHYOUTBFA-SECBINFHSA-N -1 0 310.310 -0.456 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCCO1 ZINC001589366447 954201405 /nfs/dbraw/zinc/20/14/05/954201405.db2.gz OADFBWHYOUTBFA-VIFPVBQESA-N -1 0 310.310 -0.456 20 0 DBADRM O=C([O-])[C@]1(C(=O)N[C@H](CO)[C@H](O)c2cccnc2)CCCO1 ZINC001594852334 954205223 /nfs/dbraw/zinc/20/52/23/954205223.db2.gz UCGYVUMTBPSIRV-JTNHKYCSSA-N -1 0 310.306 -0.774 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)NC2(CC(=O)[O-])CCOCC2)n1 ZINC001593715116 954207875 /nfs/dbraw/zinc/20/78/75/954207875.db2.gz GZFCWCSSZRZOCF-UHFFFAOYSA-N -1 0 324.341 -0.727 20 0 DBADRM O=C([O-])C1(C(=O)NC2CC(CCO)C2)CCS(=O)(=O)CC1 ZINC001594852718 954208761 /nfs/dbraw/zinc/20/87/61/954208761.db2.gz ZQVWUVBOONYZIF-UHFFFAOYSA-N -1 0 319.379 -0.457 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1 ZINC001593715387 954212223 /nfs/dbraw/zinc/21/22/23/954212223.db2.gz OEEOLDSUEKZHCE-DTWKUNHWSA-N -1 0 320.353 -0.297 20 0 DBADRM C[C@@H]1CN(C(=O)C2CN(S(C)(=O)=O)C2)CC[C@H]1C(=O)[O-] ZINC001589371885 954213934 /nfs/dbraw/zinc/21/39/34/954213934.db2.gz HHSOLPSYIDCRBK-PSASIEDQSA-N -1 0 304.368 -0.553 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@H](O)C2CCC2)CCS(=O)(=O)CC1 ZINC001594855296 954225457 /nfs/dbraw/zinc/22/54/57/954225457.db2.gz KBKZFRXSFKINML-SNVBAGLBSA-N -1 0 319.379 -0.457 20 0 DBADRM CN(C1(C(N)=O)CCCC1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593716665 954227272 /nfs/dbraw/zinc/22/72/72/954227272.db2.gz GSMCXSAWDGUJAW-VIFPVBQESA-N -1 0 319.383 -0.490 20 0 DBADRM CN(C)c1noc(CCC(=O)Nc2cnn(CC(=O)[O-])c2)n1 ZINC001593716809 954227430 /nfs/dbraw/zinc/22/74/30/954227430.db2.gz LDQBOLWTHRLHDJ-UHFFFAOYSA-N -1 0 308.298 -0.012 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NC[C@H](CO)Cc2cccnc2)CCCO1 ZINC001594856262 954238235 /nfs/dbraw/zinc/23/82/35/954238235.db2.gz RMKFGIAUDHCCLP-DOMZBBRYSA-N -1 0 308.334 -0.017 20 0 DBADRM CN(CC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ncnc2nc[nH]c21 ZINC001593719484 954243358 /nfs/dbraw/zinc/24/33/58/954243358.db2.gz TUALBVMZXYFZEB-OCAPTIKFSA-N -1 0 304.310 -0.232 20 0 DBADRM CN(CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC001593719516 954244398 /nfs/dbraw/zinc/24/43/98/954244398.db2.gz UGVKQCAYISETIW-VWYCJHECSA-N -1 0 318.395 -0.525 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CCS(=O)(=O)C1 ZINC001589376030 954256114 /nfs/dbraw/zinc/25/61/14/954256114.db2.gz SOQDBYGDKVEYET-BXKDBHETSA-N -1 0 305.352 -0.487 20 0 DBADRM C[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CCCO2)CCS(=O)(=O)C1 ZINC001589376036 954256548 /nfs/dbraw/zinc/25/65/48/954256548.db2.gz SOQDBYGDKVEYET-SKDRFNHKSA-N -1 0 305.352 -0.487 20 0 DBADRM CN(CC(=O)[O-])Cc1cn(CC(=O)NCC(F)(F)F)nn1 ZINC001593722536 954260321 /nfs/dbraw/zinc/26/03/21/954260321.db2.gz HWMRUEPWDQFLPH-UHFFFAOYSA-N -1 0 309.248 -0.527 20 0 DBADRM Cc1ncn(C)c1C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485317421 1013121309 /nfs/dbraw/zinc/12/13/09/1013121309.db2.gz UYHHOGWLWWTBMN-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM O=C([O-])[C@]1(C(=O)NCC[C@@H]2CCCS2(=O)=O)CCCO1 ZINC001594859236 954262547 /nfs/dbraw/zinc/26/25/47/954262547.db2.gz YCZFEUBOGAWGIU-JOYOIKCWSA-N -1 0 305.352 -0.296 20 0 DBADRM C[C@@H]1CN(C(=O)NCCOCCOCC(=O)[O-])C[C@@H](C)C1O ZINC001589376889 954265832 /nfs/dbraw/zinc/26/58/32/954265832.db2.gz WBEVMGDOOLDRRG-GHMZBOCLSA-N -1 0 318.370 -0.238 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NCC2CCS(=O)(=O)CC2)CCCO1 ZINC001594859598 954267336 /nfs/dbraw/zinc/26/73/36/954267336.db2.gz KCUALHGRFGZLLG-LBPRGKRZSA-N -1 0 305.352 -0.439 20 0 DBADRM CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)NCCCC(=O)[O-] ZINC001593724384 954269348 /nfs/dbraw/zinc/26/93/48/954269348.db2.gz OLVYAAXGWMAAFR-UHFFFAOYSA-N -1 0 322.383 -0.751 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CCO1 ZINC001589377330 954273777 /nfs/dbraw/zinc/27/37/77/954273777.db2.gz KNUBSUYIHOEVNH-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)C1(CC(=O)[O-])CCC1 ZINC001593727258 954286083 /nfs/dbraw/zinc/28/60/83/954286083.db2.gz CRHGBIUQVGUOMY-GFCCVEGCSA-N -1 0 314.382 -0.217 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NCc2ccc(-n3cncn3)nc2)CCCO1 ZINC001594862852 954290131 /nfs/dbraw/zinc/29/01/31/954290131.db2.gz PCBYSARVDXTKAG-AWEZNQCLSA-N -1 0 317.305 -0.088 20 0 DBADRM CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)COCC(=O)[O-] ZINC001593727971 954295069 /nfs/dbraw/zinc/29/50/69/954295069.db2.gz WISHNHPLPWAKHJ-SECBINFHSA-N -1 0 320.342 -0.568 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F ZINC001593728329 954299804 /nfs/dbraw/zinc/29/98/04/954299804.db2.gz HNYVWAWPRFCSSS-ZCFIWIBFSA-N -1 0 300.233 -0.699 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@H]1C(=O)[O-] ZINC001589383994 954300913 /nfs/dbraw/zinc/30/09/13/954300913.db2.gz SEZWIRMQYAMRGW-RNFRBKRXSA-N -1 0 316.339 -0.760 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593728774 954302277 /nfs/dbraw/zinc/30/22/77/954302277.db2.gz NDZULWPGFSZIPH-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593729289 954307504 /nfs/dbraw/zinc/30/75/04/954307504.db2.gz VMKGGRZBWRYSTP-OPRDCNLKSA-N -1 0 304.368 -0.074 20 0 DBADRM CN(C[C@@H]1CCCN(C(=O)NCCC(=O)[O-])C1)S(C)(=O)=O ZINC001593729808 954312332 /nfs/dbraw/zinc/31/23/32/954312332.db2.gz QMGHDNYUBCFQHL-JTQLQIEISA-N -1 0 321.399 -0.226 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC001593731686 954320430 /nfs/dbraw/zinc/32/04/30/954320430.db2.gz RYXFUCPTOPTIOR-NSHDSACASA-N -1 0 323.353 -0.550 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC001593731667 954321141 /nfs/dbraw/zinc/32/11/41/954321141.db2.gz RYXFUCPTOPTIOR-LLVKDONJSA-N -1 0 323.353 -0.550 20 0 DBADRM CN(CCC(=O)[O-])C(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC001593735759 954333854 /nfs/dbraw/zinc/33/38/54/954333854.db2.gz ACRQLUSFNIINNL-UHFFFAOYSA-N -1 0 324.341 -0.153 20 0 DBADRM CN(CCC(=O)[O-])C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001593736391 954340551 /nfs/dbraw/zinc/34/05/51/954340551.db2.gz NYHBLAUOAFANBK-UHFFFAOYSA-N -1 0 306.322 -0.436 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N(C)CCC(=O)[O-])cn1 ZINC001593738663 954346716 /nfs/dbraw/zinc/34/67/16/954346716.db2.gz DYMILMMVFDXPHV-UHFFFAOYSA-N -1 0 315.351 -0.121 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC001593740063 954352902 /nfs/dbraw/zinc/35/29/02/954352902.db2.gz PQRHZQQVOQNSMR-UHFFFAOYSA-N -1 0 315.413 -0.064 20 0 DBADRM O=C([O-])C1(C(=O)Nc2ccc(=O)[nH]n2)CCS(=O)(=O)CC1 ZINC001594870706 954352104 /nfs/dbraw/zinc/35/21/04/954352104.db2.gz XWPUVJXCNGWBSA-UHFFFAOYSA-N -1 0 315.307 -0.600 20 0 DBADRM O=C([O-])C1(C(=O)Nc2c[nH]ccc2=O)CCS(=O)(=O)CC1 ZINC001594871808 954361389 /nfs/dbraw/zinc/36/13/89/954361389.db2.gz HFBHKVCHKASBJQ-UHFFFAOYSA-N -1 0 314.319 -0.407 20 0 DBADRM O=C([O-])C1(C(=O)OC2CCOCC2)CCS(=O)(=O)CC1 ZINC001594876430 954378978 /nfs/dbraw/zinc/37/89/78/954378978.db2.gz QROJJHYPBSYSMB-UHFFFAOYSA-N -1 0 306.336 -0.012 20 0 DBADRM CN(CCCn1ccnc1)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593750679 954404596 /nfs/dbraw/zinc/40/45/96/954404596.db2.gz GJPNEQFTZOWALU-PHIMTYICSA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@H]1CN(CCS(=O)(=O)CC(=O)[O-])CCN1CC(C)(C)O ZINC001589399739 954407481 /nfs/dbraw/zinc/40/74/81/954407481.db2.gz IHJYOAZKYOCCCU-NSHDSACASA-N -1 0 322.427 -0.737 20 0 DBADRM C[C@H]1CN(CCS(=O)(=O)CC(=O)[O-])CCN(C2CC2)C1 ZINC001589400606 954421391 /nfs/dbraw/zinc/42/13/91/954421391.db2.gz QVRHPNKAMSNEQM-NSHDSACASA-N -1 0 304.412 -0.098 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)C[C@H]2CCOC2)CCOCC1 ZINC001594880325 954423616 /nfs/dbraw/zinc/42/36/16/954423616.db2.gz TYRJPBRCVDHUBE-JTQLQIEISA-N -1 0 307.368 -0.176 20 0 DBADRM CN(CCOCCO)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593753620 954429150 /nfs/dbraw/zinc/42/91/50/954429150.db2.gz FBHQBMDEWSYUHF-UHFFFAOYSA-N -1 0 311.294 -0.814 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)C[C@@H]2CCCOC2)CCOCC1 ZINC001594883542 954448915 /nfs/dbraw/zinc/44/89/15/954448915.db2.gz WGFPHBFYGHJGOZ-SNVBAGLBSA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC001594884934 954454511 /nfs/dbraw/zinc/45/45/11/954454511.db2.gz AZDRQGCGKOKCFK-CMPLNLGQSA-N -1 0 323.349 -0.019 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCC(Cn3ccnn3)CC2)C1 ZINC001594885030 954455480 /nfs/dbraw/zinc/45/54/80/954455480.db2.gz CRHIQMOAUBZZCA-NSHDSACASA-N -1 0 307.310 -0.254 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N(CCO)C2CCSCC2)C1 ZINC001594885810 954461538 /nfs/dbraw/zinc/46/15/38/954461538.db2.gz NBRQUAINAQAPBR-SNVBAGLBSA-N -1 0 302.352 -0.068 20 0 DBADRM CN(C[C@H]1CCCO1)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593757056 954463111 /nfs/dbraw/zinc/46/31/11/954463111.db2.gz PRUOOAQLPUUOLM-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@@](CO)(C(F)(F)F)C2)C1 ZINC001594886315 954465811 /nfs/dbraw/zinc/46/58/11/954465811.db2.gz SREUOPWBPRSVNO-OIBJUYFYSA-N -1 0 310.228 -0.011 20 0 DBADRM CN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001593759747 954474107 /nfs/dbraw/zinc/47/41/07/954474107.db2.gz HJMJLLCGHQWLQS-GFCCVEGCSA-N -1 0 319.317 -0.009 20 0 DBADRM C[C@@H]1COCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001589408230 954485270 /nfs/dbraw/zinc/48/52/70/954485270.db2.gz HPIBCCDOBWYWKS-OPRDCNLKSA-N -1 0 305.352 -0.631 20 0 DBADRM C[C@@H]1Cc2n[nH]cc2CN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001589408425 954488503 /nfs/dbraw/zinc/48/85/03/954488503.db2.gz GDEYZFDNRZFTRD-SECBINFHSA-N -1 0 301.368 -0.097 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@H](CO)Cc2ccc(O)cc2)C1 ZINC001594888893 954494728 /nfs/dbraw/zinc/49/47/28/954494728.db2.gz HLNQSFQYKIEYHW-JOYOIKCWSA-N -1 0 308.290 -0.359 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)Nc2n[nH]cc2C(=O)NC2CC2)C1 ZINC001594889016 954495587 /nfs/dbraw/zinc/49/55/87/954495587.db2.gz IIDXWJSDZUYXRX-QMMMGPOBSA-N -1 0 307.266 -0.530 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCc2ncc3c(n2)CCOC3)C1 ZINC001594889022 954495984 /nfs/dbraw/zinc/49/59/84/954495984.db2.gz IIQCHOGVTWMNPZ-SNVBAGLBSA-N -1 0 306.278 -0.605 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCc2ncc3c(n2)CCOC3)C1 ZINC001594889019 954496007 /nfs/dbraw/zinc/49/60/07/954496007.db2.gz IIQCHOGVTWMNPZ-JTQLQIEISA-N -1 0 306.278 -0.605 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCCCOC[C@@H]2CCCO2)C1 ZINC001594890531 954517575 /nfs/dbraw/zinc/51/75/75/954517575.db2.gz JBDUXBIXDWTGNS-GXSJLCMTSA-N -1 0 300.311 -0.082 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCN(C(=O)N3CCCC3)CC2)C1 ZINC001594890870 954523586 /nfs/dbraw/zinc/52/35/86/954523586.db2.gz LOGHTFUUUSUDKI-NSHDSACASA-N -1 0 324.337 -0.424 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)C1=O ZINC001593769754 954539072 /nfs/dbraw/zinc/53/90/72/954539072.db2.gz WCNBBULFYDGSTF-OAHLLOKOSA-N -1 0 319.317 -0.003 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC001594892073 954541898 /nfs/dbraw/zinc/54/18/98/954541898.db2.gz PKLUBNLMOILNJL-IONNQARKSA-N -1 0 303.265 -0.232 20 0 DBADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)C2(C(=O)[O-])CC2)C1=O ZINC001593771813 954542734 /nfs/dbraw/zinc/54/27/34/954542734.db2.gz JVWQCYQJZYHXGU-XLKFXECMSA-N -1 0 309.322 -0.312 20 0 DBADRM CN1C(=O)CO[C@H](C(=O)NC(C)(C)C(=O)[O-])[C@H]1c1cccnc1 ZINC001593771828 954542803 /nfs/dbraw/zinc/54/28/03/954542803.db2.gz KZVZOTSUNRMVTN-NEPJUHHUSA-N -1 0 321.333 -0.041 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCCc2nnc3n2CCCC3)C1 ZINC001594892302 954544305 /nfs/dbraw/zinc/54/43/05/954544305.db2.gz SBBJDOKPWUQHAR-SECBINFHSA-N -1 0 307.310 -0.497 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCC[S@](=O)CC(F)(F)F)C1 ZINC001594892388 954545496 /nfs/dbraw/zinc/54/54/96/954545496.db2.gz TYCKBFXULAXCDD-SVPXGXJHSA-N -1 0 316.257 -0.357 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)C1 ZINC001594892501 954546400 /nfs/dbraw/zinc/54/64/00/954546400.db2.gz RYOXTIZQEQUDGE-XRNSZHNASA-N -1 0 310.306 -0.188 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCCN2C[C@H]3CCCCN3C2=O)C1 ZINC001594893046 954550836 /nfs/dbraw/zinc/55/08/36/954550836.db2.gz XMJVNLXXSZXFSO-KOLCDFICSA-N -1 0 324.337 -0.378 20 0 DBADRM CN1CC(=O)Nc2cc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cnc21 ZINC001593773060 954558437 /nfs/dbraw/zinc/55/84/37/954558437.db2.gz XEQYKXXJDZUOFV-SNVBAGLBSA-N -1 0 320.305 -0.605 20 0 DBADRM CN1C[C@@H](O)C[C@@H]1c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C ZINC001593773479 954563135 /nfs/dbraw/zinc/56/31/35/954563135.db2.gz GQZNWYGUOUGLDZ-GARJFASQSA-N -1 0 309.370 -0.146 20 0 DBADRM CN1CC2(CN(C(=O)[C@@H]3CO[C@@H](CCC(=O)[O-])C3)C2)OC1=O ZINC001593773848 954571835 /nfs/dbraw/zinc/57/18/35/954571835.db2.gz LEUSFVZBOOKHRH-UWVGGRQHSA-N -1 0 312.322 -0.081 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589418331 954577415 /nfs/dbraw/zinc/57/74/15/954577415.db2.gz YPYAQAVMDBSTBP-APOZVJGGSA-N -1 0 324.337 -0.166 20 0 DBADRM C[C@@H]1c2nncn2CCN1C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589418704 954580226 /nfs/dbraw/zinc/58/02/26/954580226.db2.gz WZHGSFBVPSXCCG-ZJUUUORDSA-N -1 0 321.337 -0.496 20 0 DBADRM CN1C[C@H](OC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCC1=O ZINC001593774350 954581571 /nfs/dbraw/zinc/58/15/71/954581571.db2.gz OWMWXJOPFGEJRO-ZJUUUORDSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1C[C@@H](OC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCC1=O ZINC001593774348 954582283 /nfs/dbraw/zinc/58/22/83/954582283.db2.gz OWMWXJOPFGEJRO-VHSXEESVSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1C[C@@H](n2nnnc2N2CCC[C@H](C(=O)[O-])C2)CCC1=O ZINC001593774948 954592712 /nfs/dbraw/zinc/59/27/12/954592712.db2.gz WUHNOYBCPIXOQT-UWVGGRQHSA-N -1 0 308.342 -0.233 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)[C@@H](CO)C1 ZINC001593781220 954666003 /nfs/dbraw/zinc/66/60/03/954666003.db2.gz JHNGPMBQGKKIAM-TUAOUCFPSA-N -1 0 300.355 -0.609 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593787296 954720915 /nfs/dbraw/zinc/72/09/15/954720915.db2.gz ANWKVOBHKOWYEM-MJVIPROJSA-N -1 0 313.354 -0.940 20 0 DBADRM CN1CCOC[C@@]1(CO)CNC(=O)Nc1cccnc1C(=O)[O-] ZINC001593787684 954728892 /nfs/dbraw/zinc/72/88/92/954728892.db2.gz VYIHNMIHJQIIMP-AWEZNQCLSA-N -1 0 324.337 -0.406 20 0 DBADRM CN1Cc2ccccc2[C@H](NC(=O)C(=O)NCCC(=O)[O-])C1 ZINC001593787800 954730454 /nfs/dbraw/zinc/73/04/54/954730454.db2.gz AZWPGNOFUOYNSP-GFCCVEGCSA-N -1 0 305.334 -0.120 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)OC)[nH]n1 ZINC001589442587 954731187 /nfs/dbraw/zinc/73/11/87/954731187.db2.gz DDGDNQOZYIOCFH-ZETCQYMHSA-N -1 0 305.312 -0.320 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CO)CCC[C@@H]23)C1 ZINC001594914884 954736535 /nfs/dbraw/zinc/73/65/35/954736535.db2.gz ADHQDLXVLZILMU-FIXISWKDSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3=O)C2)C1 ZINC001594914952 954737081 /nfs/dbraw/zinc/73/70/81/954737081.db2.gz BQHLYVIYKQAUMN-QWRGUYRKSA-N -1 0 323.349 -0.857 20 0 DBADRM CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001593788382 954741580 /nfs/dbraw/zinc/74/15/80/954741580.db2.gz CXWUKPGDEBGCKD-PWSUYJOCSA-N -1 0 319.317 -0.311 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@H](OC)C(=O)[O-])c2ccccc2O1 ZINC001593791533 954759209 /nfs/dbraw/zinc/75/92/09/954759209.db2.gz ACHPDIRBVQZFRC-QWRGUYRKSA-N -1 0 308.290 -0.374 20 0 DBADRM O=C([O-])[C@@H]1CCCCN1Cc1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC001594916727 954760863 /nfs/dbraw/zinc/76/08/63/954760863.db2.gz SFMVXFWETHUYKF-STQMWFEESA-N -1 0 309.370 -0.294 20 0 DBADRM CC[C@@H](C(=O)OC)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC001589446593 954767701 /nfs/dbraw/zinc/76/77/01/954767701.db2.gz DJGQNBCFPZCULN-PSASIEDQSA-N -1 0 302.327 -0.377 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)C1 ZINC001594917313 954769319 /nfs/dbraw/zinc/76/93/19/954769319.db2.gz RJFRHMJQJUBSPS-NSHDSACASA-N -1 0 309.366 -0.384 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001593792748 954769488 /nfs/dbraw/zinc/76/94/88/954769488.db2.gz BQBMVJYXFHGUQA-QMMMGPOBSA-N -1 0 307.306 -0.118 20 0 DBADRM CNC(=O)CNC(=O)c1cccc(NC(=O)[C@H](OC)C(=O)[O-])c1 ZINC001593792932 954771549 /nfs/dbraw/zinc/77/15/49/954771549.db2.gz CBQWVKPUZWPNKR-NSHDSACASA-N -1 0 323.305 -0.800 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCC[C@]23CCOC3=O)C1 ZINC001594917612 954772559 /nfs/dbraw/zinc/77/25/59/954772559.db2.gz UVCMBDXRKOUUDZ-LKFCYVNXSA-N -1 0 310.306 -0.772 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)n1 ZINC001593793033 954775356 /nfs/dbraw/zinc/77/53/56/954775356.db2.gz HUOFUFMOVNFWRU-NSCUHMNNSA-N -1 0 319.277 -0.033 20 0 DBADRM O=C([O-])C1CCN(C(=O)CCN2C(=O)CCNC2=S)CC1 ZINC001594919293 954796140 /nfs/dbraw/zinc/79/61/40/954796140.db2.gz PCYJBCJJOSHEFG-UHFFFAOYSA-N -1 0 313.379 -0.194 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)NC[C@@]23COC(=O)N2CCOC3)C1 ZINC001594923794 954803419 /nfs/dbraw/zinc/80/34/19/954803419.db2.gz GKNCUSUCCOUJGB-NOZJJQNGSA-N -1 0 313.310 -0.676 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)NCCCn2ccc(=O)[nH]c2=O)C1 ZINC001594924663 954807081 /nfs/dbraw/zinc/80/70/81/954807081.db2.gz KBHFCMLRUYWPIX-VIFPVBQESA-N -1 0 310.310 -0.545 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CCO1 ZINC001593795557 954808072 /nfs/dbraw/zinc/80/80/72/954808072.db2.gz XPMXUNIUVHUPJC-NXEZZACHSA-N -1 0 315.370 -0.110 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)C1 ZINC001594925253 954810520 /nfs/dbraw/zinc/81/05/20/954810520.db2.gz LJQNRUOBHOHHOP-MRVPVSSYSA-N -1 0 322.321 -0.129 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)C1 ZINC001594925256 954811222 /nfs/dbraw/zinc/81/12/22/954811222.db2.gz LJQNRUOBHOHHOP-QMMMGPOBSA-N -1 0 322.321 -0.129 20 0 DBADRM CCC(C)(C)OCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001589452583 954813338 /nfs/dbraw/zinc/81/33/38/954813338.db2.gz YDZDIWDTRMTMDQ-SECBINFHSA-N -1 0 307.368 -0.098 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C1 ZINC001593797240 954817036 /nfs/dbraw/zinc/81/70/36/954817036.db2.gz DDJJJKWLFJQQNO-LNLATYFQSA-N -1 0 304.368 -0.363 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C1 ZINC001593797242 954817846 /nfs/dbraw/zinc/81/78/46/954817846.db2.gz DDJJJKWLFJQQNO-PTRXPTGYSA-N -1 0 304.368 -0.363 20 0 DBADRM CNS(=O)(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001593798163 954828507 /nfs/dbraw/zinc/82/85/07/954828507.db2.gz MTMMFLLPIAKDMF-JKDSDDBFSA-N -1 0 306.340 -0.964 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001593798633 954837064 /nfs/dbraw/zinc/83/70/64/954837064.db2.gz MCIMKOQVUSLCNJ-VFZGTOFNSA-N -1 0 319.317 -0.386 20 0 DBADRM CNS(=O)(=O)NCC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC001593798912 954841245 /nfs/dbraw/zinc/84/12/45/954841245.db2.gz HGYXLBDPOXYMNY-UTLUCORTSA-N -1 0 319.383 -0.716 20 0 DBADRM CNS(=O)(=O)Nc1ccc(NC(=O)[C@@H](OC)C(=O)[O-])cc1 ZINC001593799030 954844580 /nfs/dbraw/zinc/84/45/80/954844580.db2.gz MTDFYQIUGYKASZ-SECBINFHSA-N -1 0 317.323 -0.399 20 0 DBADRM CNS(=O)(=O)Nc1ccc(NC(=O)[C@H](OC)C(=O)[O-])cc1 ZINC001593799032 954845102 /nfs/dbraw/zinc/84/51/02/954845102.db2.gz MTDFYQIUGYKASZ-VIFPVBQESA-N -1 0 317.323 -0.399 20 0 DBADRM CC[C@H](C)[C@H](O)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589457836 954846340 /nfs/dbraw/zinc/84/63/40/954846340.db2.gz STKRQRJBITZPIF-HBNTYKKESA-N -1 0 300.355 -0.167 20 0 DBADRM CNS(=O)(=O)c1ccc(NC(=O)[C@H](OC)C(=O)[O-])cc1 ZINC001593801344 954850625 /nfs/dbraw/zinc/85/06/25/954850625.db2.gz NUPOQZJWJUGQPR-VIFPVBQESA-N -1 0 302.308 -0.367 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cn1 ZINC001593801605 954852804 /nfs/dbraw/zinc/85/28/04/954852804.db2.gz GQBXGRRIQIRQKP-KYZUINATSA-N -1 0 313.335 -0.417 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H](CO)[C@H]2CCOC2)CC1 ZINC001594935273 954854062 /nfs/dbraw/zinc/85/40/62/954854062.db2.gz LJOYEADSUSYYSO-QWRGUYRKSA-N -1 0 322.383 -0.985 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589459163 954858497 /nfs/dbraw/zinc/85/84/97/954858497.db2.gz WTOSGOOTWGUWGV-JTQLQIEISA-N -1 0 323.349 -0.033 20 0 DBADRM CC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589459268 954859042 /nfs/dbraw/zinc/85/90/42/954859042.db2.gz ZLYUTULNGWALGM-AEJSXWLSSA-N -1 0 321.399 -0.327 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H](CCO)C2CC2)CC1 ZINC001594935776 954860457 /nfs/dbraw/zinc/86/04/57/954860457.db2.gz YHLVXQMJQGYTOG-NSHDSACASA-N -1 0 306.384 -0.222 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cncn1-c1ccccc1 ZINC000386364934 972048380 /nfs/dbraw/zinc/04/83/80/972048380.db2.gz DXDSCOUWCXSXQX-UHFFFAOYSA-N -1 0 302.290 -0.197 20 0 DBADRM CNc1nc(C)cc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)n1 ZINC001593803486 954867732 /nfs/dbraw/zinc/86/77/32/954867732.db2.gz CJKNRUNLFNYFDH-VIFPVBQESA-N -1 0 308.294 -0.331 20 0 DBADRM O=C([O-])[C@H]1CCN(c2nnnn2CCCO[C@@H]2CCOC2)C1 ZINC001594940272 954877956 /nfs/dbraw/zinc/87/79/56/954877956.db2.gz APKUWFKAFWAVIW-WDEREUQCSA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])C1CCN(c2nnnn2CCO[C@H]2CCOC2)CC1 ZINC001594940799 954887261 /nfs/dbraw/zinc/88/72/61/954887261.db2.gz OWRUSVWZUTXLGC-NSHDSACASA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CC(CO)C2)Cc2ccccc21 ZINC001594940801 954887498 /nfs/dbraw/zinc/88/74/98/954887498.db2.gz OWXBXFFKCRDZLG-ZDUSSCGKSA-N -1 0 318.329 -0.352 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001593805965 954905764 /nfs/dbraw/zinc/90/57/64/954905764.db2.gz DRUNUBAIMKWRFA-QMMMGPOBSA-N -1 0 313.266 -0.858 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)C1(C(=O)[O-])CC=CC1 ZINC001593806242 954908876 /nfs/dbraw/zinc/90/88/76/954908876.db2.gz GZTWUORCBROCIT-VIFPVBQESA-N -1 0 313.306 -0.172 20 0 DBADRM CC[C@@H](C[C@@H](C)O)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589466552 954909665 /nfs/dbraw/zinc/90/96/65/954909665.db2.gz HKSSBXLLZUPKNA-ZJUUUORDSA-N -1 0 321.395 -0.068 20 0 DBADRM O=C([O-])C1CN(C(=O)CNS(=O)(=O)c2ccccc2F)C1 ZINC001594945393 954913131 /nfs/dbraw/zinc/91/31/31/954913131.db2.gz QVTGAVFROWIUEK-UHFFFAOYSA-N -1 0 316.310 -0.353 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC001593808214 954917836 /nfs/dbraw/zinc/91/78/36/954917836.db2.gz SZUUUZIVZFLMJJ-WDEREUQCSA-N -1 0 316.354 -0.524 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)CCO1 ZINC001594946780 954918533 /nfs/dbraw/zinc/91/85/33/954918533.db2.gz YCRCORJAISUMAQ-RCWTZXSCSA-N -1 0 300.311 -0.715 20 0 DBADRM COC(=O)[C@H](CC1CCOCC1)NC(=O)[C@H](OC)C(=O)[O-] ZINC001593808812 954920066 /nfs/dbraw/zinc/92/00/66/954920066.db2.gz XEGAXXDWNMYYSW-UWVGGRQHSA-N -1 0 303.311 -0.440 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)N(C)N1CCS(=O)(=O)CC1 ZINC001589470503 954921683 /nfs/dbraw/zinc/92/16/83/954921683.db2.gz MUSGJSODUDEDHF-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Cc2nnc(C3CCOCC3)[nH]2)CCO1 ZINC001594947537 954926887 /nfs/dbraw/zinc/92/68/87/954926887.db2.gz ZQSNYVNBABNNFO-SNVBAGLBSA-N -1 0 324.337 -0.447 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC001589473995 954942653 /nfs/dbraw/zinc/94/26/53/954942653.db2.gz MSNPKHXQZYZMNT-UHFFFAOYSA-N -1 0 321.395 -0.067 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CCO1 ZINC001594950887 954945512 /nfs/dbraw/zinc/94/55/12/954945512.db2.gz GJYILPRMSUZQRA-GXSJLCMTSA-N -1 0 310.310 -0.760 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)NCCNS(=O)(=O)NC(C)C ZINC001589474243 954946536 /nfs/dbraw/zinc/94/65/36/954946536.db2.gz SZXLVGSTLICSFC-UHFFFAOYSA-N -1 0 323.415 -0.174 20 0 DBADRM COC(=O)[C@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C(C)C ZINC001593811984 954952312 /nfs/dbraw/zinc/95/23/12/954952312.db2.gz WTYYKPUZJOJYIJ-LLVKDONJSA-N -1 0 310.306 -0.140 20 0 DBADRM O=C([O-])[C@@H]1CN(CCn2cnc(Br)n2)CCO1 ZINC001594953586 954970135 /nfs/dbraw/zinc/97/01/35/954970135.db2.gz MMSPCMOJWUKIFU-ZETCQYMHSA-N -1 0 305.132 -0.174 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2CCO[C@H]2CC2(F)F)CCO1 ZINC001594954623 954977355 /nfs/dbraw/zinc/97/73/55/954977355.db2.gz OBKWGINLYWJAAG-SFYZADRCSA-N -1 0 319.268 -0.613 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2CCCOCC2CC2)CCO1 ZINC001594954619 954977608 /nfs/dbraw/zinc/97/76/08/954977608.db2.gz NMWYHKLDMXERGB-LLVKDONJSA-N -1 0 311.342 -0.220 20 0 DBADRM COC(=O)[C@@]1(OC)CCN(CN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC001593813821 954978125 /nfs/dbraw/zinc/97/81/25/954978125.db2.gz IKZJXNLVIHZPOQ-NOZJJQNGSA-N -1 0 300.311 -0.859 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2CC[C@@H]2CCCOC2)CCO1 ZINC001594954717 954978779 /nfs/dbraw/zinc/97/87/79/954978779.db2.gz SZUGRBLKTZIMPG-QWRGUYRKSA-N -1 0 311.342 -0.220 20 0 DBADRM COC(=O)C1(O)CN(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC001593813932 954979382 /nfs/dbraw/zinc/97/93/82/954979382.db2.gz JTRSWLPEYUWYGE-UHFFFAOYSA-N -1 0 309.274 -0.490 20 0 DBADRM COC(=O)C1(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCC1 ZINC001593814239 954983418 /nfs/dbraw/zinc/98/34/18/954983418.db2.gz LFAFWORMXDQYPF-VIFPVBQESA-N -1 0 312.322 -0.479 20 0 DBADRM COC(=O)C1(O)CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001593814536 954987391 /nfs/dbraw/zinc/98/73/91/954987391.db2.gz OSVJWXFXZQBVPG-CYBMUJFWSA-N -1 0 301.295 -0.853 20 0 DBADRM COC(=O)C1(CNC(=O)c2cccn(CC(=O)[O-])c2=O)CC1 ZINC001593814684 954989699 /nfs/dbraw/zinc/98/96/99/954989699.db2.gz ZHHSVAXDZRRVDC-UHFFFAOYSA-N -1 0 308.290 -0.384 20 0 DBADRM COC(=O)C1(CNC(=O)c2cc(C(=O)[O-])n[nH]2)CCOCC1 ZINC001593814677 954990324 /nfs/dbraw/zinc/99/03/24/954990324.db2.gz ZBEBKPKXVBPFNX-UHFFFAOYSA-N -1 0 311.294 -0.193 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CN1CCc2ccccc2C1=O ZINC001594957566 954991113 /nfs/dbraw/zinc/99/11/13/954991113.db2.gz HACRCVNJDRXFFE-CYBMUJFWSA-N -1 0 318.329 -0.003 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(Cn2ccnn2)o1 ZINC001594957735 954993904 /nfs/dbraw/zinc/99/39/04/954993904.db2.gz ZLQIVACLWSATIA-JTQLQIEISA-N -1 0 306.278 -0.155 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc(-n2cncn2)n1 ZINC001594957713 954993951 /nfs/dbraw/zinc/99/39/51/954993951.db2.gz XPWPXBZZPYHVOX-JTQLQIEISA-N -1 0 303.278 -0.412 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001594957728 954994298 /nfs/dbraw/zinc/99/42/98/954994298.db2.gz YWIHTHYXOGIZRR-KOLCDFICSA-N -1 0 310.310 -0.760 20 0 DBADRM COC(=O)C1=C(C)O[C@@H](CN2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC001593815137 954995451 /nfs/dbraw/zinc/99/54/51/954995451.db2.gz CIBBSCSAWBDIFI-SNVBAGLBSA-N -1 0 312.322 -0.549 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CN1CSCCSC1 ZINC001594957909 954995603 /nfs/dbraw/zinc/99/56/03/954995603.db2.gz UVQQUFUEHMRUNN-VIFPVBQESA-N -1 0 306.409 -0.005 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCc2cccnc21 ZINC001594959717 955001479 /nfs/dbraw/zinc/00/14/79/955001479.db2.gz CUCPISVTRWQHOD-GHMZBOCLSA-N -1 0 324.358 -0.178 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)C1CCSCC1 ZINC001594959744 955002465 /nfs/dbraw/zinc/00/24/65/955002465.db2.gz DHCOJYVOXJDZND-VIFPVBQESA-N -1 0 307.393 -0.160 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C/[C@H]1CCCO1 ZINC001594959900 955004091 /nfs/dbraw/zinc/00/40/91/955004091.db2.gz JGNLRMGLAMDZMQ-OKWQPMOJSA-N -1 0 303.336 -0.568 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1cncnc1 ZINC001594959886 955004229 /nfs/dbraw/zinc/00/42/29/955004229.db2.gz INDRRNSGFUYQMM-JTQLQIEISA-N -1 0 313.335 -0.881 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C/[C@@H]1CCCO1 ZINC001594959899 955004542 /nfs/dbraw/zinc/00/45/42/955004542.db2.gz JGNLRMGLAMDZMQ-OHINUGQQSA-N -1 0 303.336 -0.568 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)C1SCCS1 ZINC001594960109 955007213 /nfs/dbraw/zinc/00/72/13/955007213.db2.gz PGWDELNDQFZTQL-LURJTMIESA-N -1 0 311.406 -0.497 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1c[nH]c2ncccc12 ZINC001594960463 955010630 /nfs/dbraw/zinc/01/06/30/955010630.db2.gz YJGMJXFJNCICJA-SNVBAGLBSA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CC[C@H]1CCCO1 ZINC001594960430 955011266 /nfs/dbraw/zinc/01/12/66/955011266.db2.gz XITQBMLZWRSFHJ-ZJUUUORDSA-N -1 0 305.352 -0.344 20 0 DBADRM COC(=O)C12CC(C(=O)O[C@@H]3CCN(CC(=O)[O-])C3=O)(C1)C2 ZINC001593817134 955011465 /nfs/dbraw/zinc/01/14/65/955011465.db2.gz ZNWYYLQLLSUQLX-UWEQVVMYSA-N -1 0 311.290 -0.442 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cnc2n[nH]cc2c1 ZINC001594961029 955016468 /nfs/dbraw/zinc/01/64/68/955016468.db2.gz HHFMVIGYKAOFAV-SECBINFHSA-N -1 0 324.318 -0.718 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)c1nc[nH]n1)C[C@H]2C(=O)[O-] ZINC001593819387 955017943 /nfs/dbraw/zinc/01/79/43/955017943.db2.gz HFQNJPVNHXMKLF-DMWDQNTBSA-N -1 0 308.294 -0.469 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)C(=O)N1CCC1)C[C@H]2C(=O)[O-] ZINC001593820032 955024513 /nfs/dbraw/zinc/02/45/13/955024513.db2.gz HUVORRFUQPMRJZ-VOZQYIJBSA-N -1 0 324.333 -0.669 20 0 DBADRM CC(C)(C)C(=O)NCCCC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000386550542 972064094 /nfs/dbraw/zinc/06/40/94/972064094.db2.gz LVEPCNOKYBYWFC-AWEZNQCLSA-N -1 0 300.355 -0.023 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H]1CCC(=O)N1)C[C@@H]2C(=O)[O-] ZINC001593822938 955056471 /nfs/dbraw/zinc/05/64/71/955056471.db2.gz DBSXOKKJIHVVCR-NGQZXSQQSA-N -1 0 324.333 -0.623 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1cnc2cnccn12 ZINC001594966317 955060728 /nfs/dbraw/zinc/06/07/28/955060728.db2.gz ZFHBUFRMYQNRRH-SNVBAGLBSA-N -1 0 310.335 -0.587 20 0 DBADRM CC[C@H](CCO)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589515281 955065777 /nfs/dbraw/zinc/06/57/77/955065777.db2.gz WNHMBMRLJAAGMP-MNOVXSKESA-N -1 0 300.355 -0.166 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCOC[C@H]1COC)C(=O)[O-] ZINC001589517231 955070756 /nfs/dbraw/zinc/07/07/56/955070756.db2.gz CRBRYEGMQBYSEU-NXEZZACHSA-N -1 0 302.327 -0.913 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N[C@H](C)CN1CCOCC1)C(=O)[O-] ZINC001589517587 955074516 /nfs/dbraw/zinc/07/45/16/955074516.db2.gz HPTGTMRKDWRLSQ-MNOVXSKESA-N -1 0 315.370 -0.950 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N[C@H]1CCN(CC(F)F)C1)C(=O)[O-] ZINC001589518042 955077012 /nfs/dbraw/zinc/07/70/12/955077012.db2.gz JKYZNVHUWNCWPT-IUCAKERBSA-N -1 0 321.324 -0.331 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1)C(=O)[O-] ZINC001589518707 955080364 /nfs/dbraw/zinc/08/03/64/955080364.db2.gz NKLNBJSXSVUIGP-HZMBPMFUSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000386602302 972067704 /nfs/dbraw/zinc/06/77/04/972067704.db2.gz XQKDBZILTFEBAI-UHFFFAOYSA-N -1 0 311.250 -0.709 20 0 DBADRM COC(=O)C1CC2(C1)CN(c1nccn(C)c1=O)C[C@@H]2C(=O)[O-] ZINC001593824907 955089975 /nfs/dbraw/zinc/08/99/75/955089975.db2.gz BBPRMFIYFMMHFO-KGXJWFGYSA-N -1 0 321.333 -0.130 20 0 DBADRM CC[C@H](CNC(=O)N1CC[C@@H](S(=O)(=O)NC)C1)C(=O)[O-] ZINC001589526442 955121390 /nfs/dbraw/zinc/12/13/90/955121390.db2.gz JJQRDKYSJQOOAG-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N(C)CCC(=O)[O-])C1=O ZINC001593828548 955126789 /nfs/dbraw/zinc/12/67/89/955126789.db2.gz KMIGFVXQRTXJDB-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM COC(=O)[C@H]1CN(C)CCN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001593829057 955131744 /nfs/dbraw/zinc/13/17/44/955131744.db2.gz UOLSRMKTPMTUJL-NSHDSACASA-N -1 0 321.333 -0.043 20 0 DBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)CCCCC(=O)[O-] ZINC001593829137 955132960 /nfs/dbraw/zinc/13/29/60/955132960.db2.gz VYWQEQGXFQUUHB-VIFPVBQESA-N -1 0 300.311 -0.526 20 0 DBADRM CC[C@@H](CNC(=O)N1CCO[C@@H](CS(C)(=O)=O)C1)C(=O)[O-] ZINC001589528353 955136807 /nfs/dbraw/zinc/13/68/07/955136807.db2.gz IPIZXDXHTJSUHR-VHSXEESVSA-N -1 0 322.383 -0.448 20 0 DBADRM CC[C@@H](CNC(=O)N1CCc2nn(C)c(=O)cc2C1)C(=O)[O-] ZINC001589528756 955139349 /nfs/dbraw/zinc/13/93/49/955139349.db2.gz MSHSWVLNRBSGOE-VIFPVBQESA-N -1 0 308.338 -0.041 20 0 DBADRM CC[C@@H](CNC(=O)NCC1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001589534810 955152585 /nfs/dbraw/zinc/15/25/85/955152585.db2.gz JHXIWLLEZRZLNO-VIFPVBQESA-N -1 0 307.372 -0.712 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001593834469 955175860 /nfs/dbraw/zinc/17/58/60/955175860.db2.gz SAVAJEQGGINQRA-UHFFFAOYSA-N -1 0 309.278 -0.212 20 0 DBADRM COC(=O)CCCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001593834740 955176982 /nfs/dbraw/zinc/17/69/82/955176982.db2.gz YZELXSOEZCMTLY-SECBINFHSA-N -1 0 300.311 -0.621 20 0 DBADRM CC[C@@H](CNC(=O)c1ccc(S(=O)(=O)NC)nc1)C(=O)[O-] ZINC001589546701 955203736 /nfs/dbraw/zinc/20/37/36/955203736.db2.gz POPICRLLHUPNMI-QMMMGPOBSA-N -1 0 315.351 -0.170 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)CNC(=O)c2cccc(F)c2)C1 ZINC000386725481 972076106 /nfs/dbraw/zinc/07/61/06/972076106.db2.gz AZSSEQDNEXHYQP-CQSZACIVSA-N -1 0 310.281 -0.397 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)Nc2cccnc2C(=O)[O-])n1 ZINC001594499747 955314674 /nfs/dbraw/zinc/31/46/74/955314674.db2.gz BQCPSNUHDYORBE-UHFFFAOYSA-N -1 0 319.277 -0.231 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C(=O)N1CCC(C)CC1 ZINC001593836239 955315757 /nfs/dbraw/zinc/31/57/57/955315757.db2.gz VONDIMDRQMKKCN-UHFFFAOYSA-N -1 0 314.338 -0.279 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC001594500050 955315706 /nfs/dbraw/zinc/31/57/06/955315706.db2.gz JGXPJRJZYLTZMU-WPRPVWTQSA-N -1 0 324.337 -0.394 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC001589000515 955319342 /nfs/dbraw/zinc/31/93/42/955319342.db2.gz ZXXLIBPGEYNUKB-KOLCDFICSA-N -1 0 313.354 -0.071 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C)C1 ZINC001589000492 955319511 /nfs/dbraw/zinc/31/95/11/955319511.db2.gz ZGUSBYOAOFIGSP-LNLATYFQSA-N -1 0 304.368 -0.074 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CCO1 ZINC001593837683 955324868 /nfs/dbraw/zinc/32/48/68/955324868.db2.gz WSZYPDBJBTZQJO-TVQRCGJNSA-N -1 0 301.295 -0.589 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc(C(=O)OC)[nH]1 ZINC001593839010 955335987 /nfs/dbraw/zinc/33/59/87/955335987.db2.gz YUNLDFMCSZDFKW-UHFFFAOYSA-N -1 0 312.278 -0.109 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)CNCC(F)(F)F ZINC001593839556 955344812 /nfs/dbraw/zinc/34/48/12/955344812.db2.gz LDWYATHJMDDYLR-UHFFFAOYSA-N -1 0 300.233 -0.385 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)CC1CCOCC1 ZINC001593841750 955373165 /nfs/dbraw/zinc/37/31/65/955373165.db2.gz KMLCNMBUQUATES-UHFFFAOYSA-N -1 0 323.367 -0.308 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)CCn1cccn1 ZINC001593842284 955376649 /nfs/dbraw/zinc/37/66/49/955376649.db2.gz WLENOZVWLXXNRE-UHFFFAOYSA-N -1 0 319.339 -0.837 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C(=O)[O-] ZINC001593843990 955389337 /nfs/dbraw/zinc/38/93/37/955389337.db2.gz HDGZLXPZNUHOLU-VGMNWLOBSA-N -1 0 300.311 -0.589 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)N3CCO[C@@H](C(=O)[O-])C3)ccnc1-2 ZINC001594512863 955403633 /nfs/dbraw/zinc/40/36/33/955403633.db2.gz BRISVCREOZPAJJ-SNVBAGLBSA-N -1 0 305.294 -0.341 20 0 DBADRM COC(=O)CC[C@H](NC(=O)C1(O)CCSCC1)C(=O)[O-] ZINC001593845128 955404334 /nfs/dbraw/zinc/40/43/34/955404334.db2.gz DSJDPKUTEXBBOI-QMMMGPOBSA-N -1 0 305.352 -0.233 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@@H]1CCCN(C)C1=O)C(=O)[O-] ZINC001593845198 955405820 /nfs/dbraw/zinc/40/58/20/955405820.db2.gz GPTFPYQQYHVDFR-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)CC[C@H](NC(=O)C1(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001593845491 955408915 /nfs/dbraw/zinc/40/89/15/955408915.db2.gz IKOISRMVHQSGPX-ZETCQYMHSA-N -1 0 307.324 -0.914 20 0 DBADRM C[C@@]1(C(N)=O)CCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC000386991374 972095812 /nfs/dbraw/zinc/09/58/12/972095812.db2.gz CGZDGBFKJDZGBM-GFCCVEGCSA-N -1 0 313.335 -0.334 20 0 DBADRM CN1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccn2)CCC1=O ZINC000387001435 972095883 /nfs/dbraw/zinc/09/58/83/972095883.db2.gz FKYDJWWXFAWFCQ-SECBINFHSA-N -1 0 313.335 -0.321 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1ccc2c(n1)OCCO2)C(=O)[O-] ZINC001593847744 955434420 /nfs/dbraw/zinc/43/44/20/955434420.db2.gz VZHOLRFRIWICFC-VIFPVBQESA-N -1 0 324.289 -0.011 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)Cc1ccno1)C(=O)[O-] ZINC001593849927 955446511 /nfs/dbraw/zinc/44/65/11/955446511.db2.gz QOVHMFHGVQUMIZ-QMMMGPOBSA-N -1 0 306.296 -0.500 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NCCNC(=O)C(C)(C)C)C(=O)[O-] ZINC001589019166 955448095 /nfs/dbraw/zinc/44/80/95/955448095.db2.gz AHQUWRRFQNDULD-VIFPVBQESA-N -1 0 315.370 -0.556 20 0 DBADRM COC(=O)CN(C)CCNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001593850388 955448916 /nfs/dbraw/zinc/44/89/16/955448916.db2.gz DHEYIMXUCLJSBQ-UHFFFAOYSA-N -1 0 324.333 -0.015 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1C[C@@H](O)CC(F)(F)C1)C(=O)[O-] ZINC001589019471 955451723 /nfs/dbraw/zinc/45/17/23/955451723.db2.gz DPUYTPMMRUPDBR-SFYZADRCSA-N -1 0 308.281 -0.606 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1Cc1cc(C(=O)[O-])nn1C ZINC001593850669 955454169 /nfs/dbraw/zinc/45/41/69/955454169.db2.gz ONDVVIJNGREXJV-NSHDSACASA-N -1 0 324.337 -0.628 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCn2cnnc2[C@H]1C)C(=O)[O-] ZINC001589019772 955458880 /nfs/dbraw/zinc/45/88/80/955458880.db2.gz JOFUDANMHNIFIO-RKDXNWHRSA-N -1 0 309.326 -0.640 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594521879 955461476 /nfs/dbraw/zinc/46/14/76/955461476.db2.gz KWICJVVXXMMNJA-YUMQZZPRSA-N -1 0 314.367 -0.010 20 0 DBADRM CN1C(=S)N=NC1CCCNC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001594521708 955461616 /nfs/dbraw/zinc/46/16/16/955461616.db2.gz JXQLZHOIOZKHOQ-ZETCQYMHSA-N -1 0 313.339 -0.618 20 0 DBADRM COC(=O)CSCCNC(=O)C1(C(=O)[O-])CCOCC1 ZINC001593852042 955469288 /nfs/dbraw/zinc/46/92/88/955469288.db2.gz HZFIYXDILRPINF-UHFFFAOYSA-N -1 0 305.352 -0.110 20 0 DBADRM COC(=O)C[C@@H]1CN(CCS(=O)(=O)CC(=O)[O-])C[C@H]1C ZINC001593853891 955478991 /nfs/dbraw/zinc/47/89/91/955478991.db2.gz ABHPFBZYJKZQPB-NXEZZACHSA-N -1 0 307.368 -0.383 20 0 DBADRM Cn1cc(-c2nn(C)cc2NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cn1 ZINC001594523664 955480383 /nfs/dbraw/zinc/48/03/83/955480383.db2.gz ANTHJXJOKRYIQU-JTQLQIEISA-N -1 0 318.293 -0.011 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NCc1cnn(CCF)c1)C(=O)[O-] ZINC001589022561 955482349 /nfs/dbraw/zinc/48/23/49/955482349.db2.gz PJWVGGHCTGNYDF-SECBINFHSA-N -1 0 314.317 -0.352 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cn2ccccc2n1 ZINC000387072156 972101373 /nfs/dbraw/zinc/10/13/73/972101373.db2.gz NJIMOPHCHRIEIG-SNVBAGLBSA-N -1 0 302.290 -0.250 20 0 DBADRM Cn1cc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])n(C)c1=O ZINC001594527073 955510648 /nfs/dbraw/zinc/51/06/48/955510648.db2.gz SYKVPLIOMSFDMR-SNVBAGLBSA-N -1 0 304.306 -0.456 20 0 DBADRM COC(=O)N1CCCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001593857104 955511406 /nfs/dbraw/zinc/51/14/06/955511406.db2.gz VOUMOQUFFDEVIZ-ZDUSSCGKSA-N -1 0 300.311 -0.079 20 0 DBADRM Cn1cc(C(F)F)c(CNCCS(=O)(=O)CC(=O)[O-])n1 ZINC001594529612 955514417 /nfs/dbraw/zinc/51/44/17/955514417.db2.gz JDEZWAVRZQZJFC-UHFFFAOYSA-N -1 0 311.310 -0.053 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cc(N2CCNC(=O)C2)ccn1)C(=O)[O-] ZINC001589029119 955517047 /nfs/dbraw/zinc/51/70/47/955517047.db2.gz WIVNOYTYVQLUDW-JTQLQIEISA-N -1 0 320.349 -0.190 20 0 DBADRM Cn1cc(C(=O)OCCC2(C(=O)[O-])CCC2)c(=O)n(C)c1=O ZINC001594530128 955520436 /nfs/dbraw/zinc/52/04/36/955520436.db2.gz YUZWCLZVTVZHCM-UHFFFAOYSA-N -1 0 310.306 -0.114 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c2=O ZINC001594530373 955525239 /nfs/dbraw/zinc/52/52/39/955525239.db2.gz PODAMUIMUHRMNP-OCAPTIKFSA-N -1 0 304.306 -0.135 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)Nc3n[nH]cc3C(=O)[O-])C2)cn1 ZINC001594531224 955534292 /nfs/dbraw/zinc/53/42/92/955534292.db2.gz HSUXSXPUEUWXMY-VIFPVBQESA-N -1 0 304.266 -0.027 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)Nc3n[nH]cc3C(=O)[O-])C2)cn1 ZINC001594531221 955534395 /nfs/dbraw/zinc/53/43/95/955534395.db2.gz HSUXSXPUEUWXMY-SECBINFHSA-N -1 0 304.266 -0.027 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC001593860617 955536325 /nfs/dbraw/zinc/53/63/25/955536325.db2.gz KYKKKFKFRVFAOV-IMSYWVGJSA-N -1 0 300.311 -0.179 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)C2(CC(=O)[O-])CCOCC2)cn1 ZINC001594531466 955538059 /nfs/dbraw/zinc/53/80/59/955538059.db2.gz JOTVGICZAGJCKJ-NSHDSACASA-N -1 0 311.338 -0.159 20 0 DBADRM C[C@@H](CN(C)Cc1nccn1S(=O)(=O)N(C)C)C(=O)[O-] ZINC001589033880 955543596 /nfs/dbraw/zinc/54/35/96/955543596.db2.gz UHWWFLVGOKKIGF-VIFPVBQESA-N -1 0 304.372 -0.310 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])O1 ZINC001593861528 955552932 /nfs/dbraw/zinc/55/29/32/955552932.db2.gz XOYVFMTWFJZZBA-TUAOUCFPSA-N -1 0 322.317 -0.086 20 0 DBADRM COC(=O)[C@H](CS[C@@H]1CCN(CC(=O)[O-])C1=O)NC(C)=O ZINC001593863972 955567755 /nfs/dbraw/zinc/56/77/55/955567755.db2.gz UEZBZMCWTRHSIM-DTWKUNHWSA-N -1 0 318.351 -0.917 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001593865006 955570894 /nfs/dbraw/zinc/57/08/94/955570894.db2.gz FZXOGCWTHUSOCZ-LNFKQOIKSA-N -1 0 315.322 -0.609 20 0 DBADRM COC(=O)[C@@]1(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)C[C@H](O)C1 ZINC001593865261 955572724 /nfs/dbraw/zinc/57/27/24/955572724.db2.gz IZVQWLAPAXCWFK-RBQUTUCGSA-N -1 0 315.322 -0.561 20 0 DBADRM COC(=O)[C@]1(C)CCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593865610 955576212 /nfs/dbraw/zinc/57/62/12/955576212.db2.gz QJHUPKJFZSLHHD-CABZTGNLSA-N -1 0 320.367 -0.192 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@H](C2OCCO2)C1)C(=O)[O-] ZINC001589039678 955583299 /nfs/dbraw/zinc/58/32/99/955583299.db2.gz QUTHGHBZHPGJRT-IUCAKERBSA-N -1 0 300.311 -0.955 20 0 DBADRM C[C@@H](CN1CCOCC1)C(=O)NC1(C(=O)[O-])CCOCC1 ZINC001589039962 955587603 /nfs/dbraw/zinc/58/76/03/955587603.db2.gz WCWUPXPSHOAIAX-NSHDSACASA-N -1 0 300.355 -0.295 20 0 DBADRM C[C@H](CNC(=O)C1(CC(=O)[O-])CCOCC1)S(N)(=O)=O ZINC001589043052 955596798 /nfs/dbraw/zinc/59/67/98/955596798.db2.gz FOVTXVUUOVFPBQ-MRVPVSSYSA-N -1 0 308.356 -0.949 20 0 DBADRM C[C@@H](CNC(=O)C1(CC(=O)[O-])CCOCC1)S(N)(=O)=O ZINC001589043057 955597416 /nfs/dbraw/zinc/59/74/16/955597416.db2.gz FOVTXVUUOVFPBQ-QMMMGPOBSA-N -1 0 308.356 -0.949 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1ncon1 ZINC001589043909 955604158 /nfs/dbraw/zinc/60/41/58/955604158.db2.gz BEONULRLYDGHQT-IUCAKERBSA-N -1 0 310.310 -0.388 20 0 DBADRM C[C@@H](CNC(=O)COc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC001589045875 955627669 /nfs/dbraw/zinc/62/76/69/955627669.db2.gz NBPRAOGHGZGZDA-QMMMGPOBSA-N -1 0 316.335 -0.450 20 0 DBADRM COC(=O)c1cc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)nn1C ZINC001593872053 955646342 /nfs/dbraw/zinc/64/63/42/955646342.db2.gz LGXITMQSVIZLMS-GFCCVEGCSA-N -1 0 312.282 -0.428 20 0 DBADRM Cn1cc(CCCN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cn1 ZINC001594541690 955658368 /nfs/dbraw/zinc/65/83/68/955658368.db2.gz IUOBYNIIZSNXPN-NSHDSACASA-N -1 0 301.368 -0.464 20 0 DBADRM Cn1cc(C[C@@H](CO)NC(=O)C2(C(=O)[O-])CCOCC2)cn1 ZINC001594541906 955662572 /nfs/dbraw/zinc/66/25/72/955662572.db2.gz VRRGXACUESMLBX-NSHDSACASA-N -1 0 311.338 -0.679 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)C[C@H](C)C(=O)[O-])on1 ZINC001593875426 955663258 /nfs/dbraw/zinc/66/32/58/955663258.db2.gz QTUZFIPOMYHOEO-LURJTMIESA-N -1 0 306.296 -0.198 20 0 DBADRM Cn1cc(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)c(=O)[nH]c1=O ZINC001594543147 955670565 /nfs/dbraw/zinc/67/05/65/955670565.db2.gz FFISHTRDMMGSGA-UHFFFAOYSA-N -1 0 324.337 -0.118 20 0 DBADRM C[C@@H](CNC(=O)NCC(=O)N(C)OCC(F)(F)F)C(=O)[O-] ZINC001589052489 955676516 /nfs/dbraw/zinc/67/65/16/955676516.db2.gz YZCFAJLZUAHZTD-LURJTMIESA-N -1 0 315.248 -0.041 20 0 DBADRM C[C@H](CNC(=O)NCC(=O)N(C)OCC(F)(F)F)C(=O)[O-] ZINC001589052490 955676908 /nfs/dbraw/zinc/67/69/08/955676908.db2.gz YZCFAJLZUAHZTD-ZCFIWIBFSA-N -1 0 315.248 -0.041 20 0 DBADRM COC(=O)c1ccc(CC(=O)N[C@]2(C(=O)[O-])CCOC2)cn1 ZINC001593877123 955685970 /nfs/dbraw/zinc/68/59/70/955685970.db2.gz JOLUSQBGFSDFPB-CQSZACIVSA-N -1 0 308.290 -0.229 20 0 DBADRM Cn1cc(Cl)c(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001594546629 955689094 /nfs/dbraw/zinc/68/90/94/955689094.db2.gz WFDUMGGCYAYVRW-VIFPVBQESA-N -1 0 307.759 -0.243 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@@]3(C(=O)[O-])CCCO3)CC2=O)cn1 ZINC001594546784 955690685 /nfs/dbraw/zinc/69/06/85/955690685.db2.gz ZYACEKQURVZZEC-CQSZACIVSA-N -1 0 322.321 -0.771 20 0 DBADRM Cn1cc(NC(=O)NCCOCCOCC(=O)[O-])ccc1=O ZINC001594548283 955698288 /nfs/dbraw/zinc/69/82/88/955698288.db2.gz MDALWTBGCUODMF-UHFFFAOYSA-N -1 0 313.310 -0.375 20 0 DBADRM Cn1cc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c(=O)n(C)c1=O ZINC001594548715 955701839 /nfs/dbraw/zinc/70/18/39/955701839.db2.gz SZPAZHSUUCYEKR-AWEZNQCLSA-N -1 0 307.306 -0.166 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001594549747 955715666 /nfs/dbraw/zinc/71/56/66/955715666.db2.gz SIQVQHLAXHJELH-MWLCHTKSSA-N -1 0 324.333 -0.023 20 0 DBADRM Cn1ccc([C@H]2NC(=O)N(CC3(C(=O)[O-])CCOCC3)C2=O)n1 ZINC001594549803 955715807 /nfs/dbraw/zinc/71/58/07/955715807.db2.gz SNCLRNCXKPOYOD-SNVBAGLBSA-N -1 0 322.321 -0.106 20 0 DBADRM Cn1ccc(CCOC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001594550205 955719929 /nfs/dbraw/zinc/71/99/29/955719929.db2.gz CECRZEKXDPUHCJ-NSHDSACASA-N -1 0 309.322 -0.171 20 0 DBADRM Cn1ccc(CCOC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001594550204 955719969 /nfs/dbraw/zinc/71/99/69/955719969.db2.gz CECRZEKXDPUHCJ-LLVKDONJSA-N -1 0 309.322 -0.171 20 0 DBADRM Cn1ccc(NCCNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001594550445 955721865 /nfs/dbraw/zinc/72/18/65/955721865.db2.gz JOARDXKQPIOMGS-SNVBAGLBSA-N -1 0 323.353 -0.729 20 0 DBADRM Cn1ccc(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)n1 ZINC001594550429 955722549 /nfs/dbraw/zinc/72/25/49/955722549.db2.gz JANLNSNVUZSYQT-UHFFFAOYSA-N -1 0 315.351 -0.684 20 0 DBADRM Cn1ccnc1-c1cc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)n[nH]1 ZINC001594551596 955730682 /nfs/dbraw/zinc/73/06/82/955730682.db2.gz MFFJMCYCPXRUEG-QMMMGPOBSA-N -1 0 304.266 -0.022 20 0 DBADRM Cn1ccnc(N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1=O ZINC001594551672 955731501 /nfs/dbraw/zinc/73/15/01/955731501.db2.gz QZYAMJZKURMNLM-SNVBAGLBSA-N -1 0 320.349 -0.318 20 0 DBADRM C[C@H](CNC(=O)c1cn(CC(=O)[O-])nn1)CN1CCOCC1 ZINC001589064247 955742134 /nfs/dbraw/zinc/74/21/34/955742134.db2.gz VKVHYIOZWOAKRH-SNVBAGLBSA-N -1 0 311.342 -0.939 20 0 DBADRM COC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC001593886115 955748541 /nfs/dbraw/zinc/74/85/41/955748541.db2.gz QSNQLNOMFQLASJ-VIFPVBQESA-N -1 0 321.289 -0.118 20 0 DBADRM Cn1ccnc1[C@H]1CCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001594555546 955758242 /nfs/dbraw/zinc/75/82/42/955758242.db2.gz JVPQXZWYNOMFQA-JTQLQIEISA-N -1 0 301.368 -0.291 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC001593888719 955767759 /nfs/dbraw/zinc/76/77/59/955767759.db2.gz OISKSYWCEJWZFT-YMTOWFKASA-N -1 0 323.305 -0.771 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)n1 ZINC001594557644 955776928 /nfs/dbraw/zinc/77/69/28/955776928.db2.gz FOCRXKQZVOUHKF-UHFFFAOYSA-N -1 0 309.326 -0.809 20 0 DBADRM COC(=O)c1cn([C@@H]2CCN(C(=O)C(C)(C)C(=O)[O-])C2)nn1 ZINC001593891181 955783825 /nfs/dbraw/zinc/78/38/25/955783825.db2.gz FWZSXVGFOKMBCG-MRVPVSSYSA-N -1 0 310.310 -0.051 20 0 DBADRM Cn1cnnc1[C@@H](CO)NC(=O)C1(C(=O)[O-])CCSCC1 ZINC001594558797 955790048 /nfs/dbraw/zinc/79/00/48/955790048.db2.gz VFWPGOIPOSLYFN-MRVPVSSYSA-N -1 0 314.367 -0.437 20 0 DBADRM Cn1cnn(CCC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c1=O ZINC001594558720 955791246 /nfs/dbraw/zinc/79/12/46/955791246.db2.gz SJAKJEXTXUYXMD-UHFFFAOYSA-N -1 0 322.325 -0.373 20 0 DBADRM C[C@@H](CO)CCCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001589073613 955794023 /nfs/dbraw/zinc/79/40/23/955794023.db2.gz QZIKPPOGHHATFM-YGRLFVJLSA-N -1 0 300.355 -0.166 20 0 DBADRM C[C@@](CO)(NCCS(=O)(=O)CC(=O)[O-])c1cccc(O)c1 ZINC001589073591 955794680 /nfs/dbraw/zinc/79/46/80/955794680.db2.gz QCIAERMONZTDEQ-ZDUSSCGKSA-N -1 0 317.363 -0.311 20 0 DBADRM Cn1cnnc1N1CCN(Cc2c(C(=O)[O-])cnn2C)CC1 ZINC001594559564 955795489 /nfs/dbraw/zinc/79/54/89/955795489.db2.gz KYQHJTXQTREJAZ-UHFFFAOYSA-N -1 0 305.342 -0.431 20 0 DBADRM Cn1cnnc1Cn1cc(CN2CCC(C(=O)[O-])CC2)nn1 ZINC001594559831 955797600 /nfs/dbraw/zinc/79/76/00/955797600.db2.gz QVMAKGDRPCPBJG-UHFFFAOYSA-N -1 0 305.342 -0.249 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001589074988 955803467 /nfs/dbraw/zinc/80/34/67/955803467.db2.gz HHDOJZMCVPJLPD-MXWKQRLJSA-N -1 0 314.338 -0.770 20 0 DBADRM COC(=O)c1cnccc1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001593894032 955810262 /nfs/dbraw/zinc/81/02/62/955810262.db2.gz QABHZKCUZOXRPU-JTQLQIEISA-N -1 0 322.273 -0.290 20 0 DBADRM COC(=O)c1cnn(C)c1NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001593894015 955810587 /nfs/dbraw/zinc/81/05/87/955810587.db2.gz PNLSRGLUUUWMRE-MRVPVSSYSA-N -1 0 312.282 -0.476 20 0 DBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001593894193 955813541 /nfs/dbraw/zinc/81/35/41/955813541.db2.gz XGXYMXVVECIXGG-MRVPVSSYSA-N -1 0 324.293 -0.779 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC2(CCNC2=O)CC1 ZINC001594563628 955815965 /nfs/dbraw/zinc/81/59/65/955815965.db2.gz FRDYVRNDGCDPPM-UHFFFAOYSA-N -1 0 306.322 -0.139 20 0 DBADRM COC(=O)c1n[nH]c2c1CN(C(=O)[C@@](C)(OC)C(=O)[O-])CC2 ZINC001593894513 955816368 /nfs/dbraw/zinc/81/63/68/955816368.db2.gz CUBCKAFGBGNJOF-CYBMUJFWSA-N -1 0 311.294 -0.429 20 0 DBADRM Cn1nc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1C(F)F ZINC001594564003 955819474 /nfs/dbraw/zinc/81/94/74/955819474.db2.gz YXFMHGQIUSLWEN-UHFFFAOYSA-N -1 0 316.264 -0.273 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCc2nc[nH]c(=O)c2C1 ZINC001594564672 955828758 /nfs/dbraw/zinc/82/87/58/955828758.db2.gz ZSLJVWIOBXAQMO-UHFFFAOYSA-N -1 0 303.278 -0.188 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001594565703 955842831 /nfs/dbraw/zinc/84/28/31/955842831.db2.gz NUGXKTANMCKOQD-SNVBAGLBSA-N -1 0 310.354 -0.305 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCS(=O)(=O)CC1CC1 ZINC001594566066 955845973 /nfs/dbraw/zinc/84/59/73/955845973.db2.gz XUIRVCPWRAXHTI-UHFFFAOYSA-N -1 0 315.351 -0.327 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001589081518 955858902 /nfs/dbraw/zinc/85/89/02/955858902.db2.gz QFKMHZZWPVOXOW-WDEREUQCSA-N -1 0 323.353 -0.504 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001589081516 955859731 /nfs/dbraw/zinc/85/97/31/955859731.db2.gz QFKMHZZWPVOXOW-MNOVXSKESA-N -1 0 323.353 -0.504 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)Nc1nc(CC(N)=O)cs1 ZINC001594569355 955863458 /nfs/dbraw/zinc/86/34/58/955863458.db2.gz SARUKOWQPMURII-UHFFFAOYSA-N -1 0 309.307 -0.145 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@@H]1O ZINC000387715353 972134401 /nfs/dbraw/zinc/13/44/01/972134401.db2.gz PHDUSBCVESTZKS-JTQLQIEISA-N -1 0 306.384 -0.270 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC001593902273 955882450 /nfs/dbraw/zinc/88/24/50/955882450.db2.gz OIKDLEHRJPUHMY-WDEREUQCSA-N -1 0 311.338 -0.208 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589084200 955888653 /nfs/dbraw/zinc/88/86/53/955888653.db2.gz YEJCLZGGAFGWRD-WDEREUQCSA-N -1 0 308.338 -0.289 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC001593904158 955892449 /nfs/dbraw/zinc/89/24/49/955892449.db2.gz BIWYUNNRTBSGIL-UWVGGRQHSA-N -1 0 322.383 -0.594 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC(C(=O)[O-])CC1)c1ccn(C)n1 ZINC001589085995 955899775 /nfs/dbraw/zinc/89/97/75/955899775.db2.gz COFIIZUUNYYKME-VIFPVBQESA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)[C@@H]1CCCOC1 ZINC001589086192 955901154 /nfs/dbraw/zinc/90/11/54/955901154.db2.gz HLTXUVGJHDSAJF-VHSXEESVSA-N -1 0 324.337 -0.163 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001593904993 955901419 /nfs/dbraw/zinc/90/14/19/955901419.db2.gz MPTVBEKQMBXRED-BXKDBHETSA-N -1 0 305.352 -0.487 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ncn(C)n1 ZINC001589086194 955901463 /nfs/dbraw/zinc/90/14/63/955901463.db2.gz HMFWMQOGGJYRBS-NXEZZACHSA-N -1 0 323.353 -0.294 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CC[S@@](=O)C[C@H]1c1cnn(C)c1 ZINC001593905109 955903248 /nfs/dbraw/zinc/90/32/48/955903248.db2.gz CYEHLXDXEZICSI-SWHJWPDWSA-N -1 0 315.351 -0.848 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC001593905882 955910918 /nfs/dbraw/zinc/91/09/18/955910918.db2.gz VAOZGTUELPAEPL-WDEREUQCSA-N -1 0 310.306 -0.014 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1 ZINC001593905879 955911219 /nfs/dbraw/zinc/91/12/19/955911219.db2.gz VAOZGTUELPAEPL-MNOVXSKESA-N -1 0 310.306 -0.014 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1 ZINC001593906101 955915133 /nfs/dbraw/zinc/91/51/33/955915133.db2.gz PFIJMHYOSJHWKJ-VHSXEESVSA-N -1 0 305.352 -0.488 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(C2=NC[C@H](C)S2)CC1 ZINC001593906508 955923078 /nfs/dbraw/zinc/92/30/78/955923078.db2.gz ZJEWUBHLVZEHQW-DTWKUNHWSA-N -1 0 301.368 -0.279 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C ZINC001593906742 955926935 /nfs/dbraw/zinc/92/69/35/955926935.db2.gz GGYZPMNOLOPYFQ-JGVFFNPUSA-N -1 0 306.315 -0.912 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCCC1N=NC(=S)N1C(C)C ZINC001593907906 955946540 /nfs/dbraw/zinc/94/65/40/955946540.db2.gz BMTGNMNJLPMEAX-QMMMGPOBSA-N -1 0 302.356 -0.094 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC001593908472 955952454 /nfs/dbraw/zinc/95/24/54/955952454.db2.gz YRZMSQDOOQYADY-UTLUCORTSA-N -1 0 322.383 -0.690 20 0 DBADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])CCCO1)[C@H](C)N1CCOCC1 ZINC001589092144 955954540 /nfs/dbraw/zinc/95/45/40/955954540.db2.gz ZWXFFYACTGTBEP-MJVIPROJSA-N -1 0 300.355 -0.154 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1cccc(CS(N)(=O)=O)c1 ZINC001593912637 955983239 /nfs/dbraw/zinc/98/32/39/955983239.db2.gz BULDWWDDQBOKGB-SECBINFHSA-N -1 0 302.308 -0.487 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001593912903 955986644 /nfs/dbraw/zinc/98/66/44/955986644.db2.gz PGDLDJHWAFHYOL-LLVKDONJSA-N -1 0 323.305 -0.408 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC001593912882 955986794 /nfs/dbraw/zinc/98/67/94/955986794.db2.gz ONRJKJQLAVZXAA-NSHDSACASA-N -1 0 308.294 -0.944 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CNCc1nc2c(c(=O)[nH]1)COCC2 ZINC001594582960 955987691 /nfs/dbraw/zinc/98/76/91/955987691.db2.gz GAITYTJIFFTEPN-UHFFFAOYSA-N -1 0 319.321 -0.024 20 0 DBADRM Cn1ncc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1C1CC1 ZINC001594586399 956001340 /nfs/dbraw/zinc/00/13/40/956001340.db2.gz LMGBJSKBAFNNMF-SNVBAGLBSA-N -1 0 322.321 -0.452 20 0 DBADRM Cn1ncc2c1ncnc2SCCS(=O)(=O)CC(=O)[O-] ZINC001594586473 956002528 /nfs/dbraw/zinc/00/25/28/956002528.db2.gz OFDGWEMBSUZKCF-UHFFFAOYSA-N -1 0 316.364 -0.045 20 0 DBADRM Cn1ncc(Cn2cc(CN3CCCC[C@@H]3C(=O)[O-])nn2)n1 ZINC001594587089 956009597 /nfs/dbraw/zinc/00/95/97/956009597.db2.gz RYQUDJKGTCUVOU-GFCCVEGCSA-N -1 0 305.342 -0.106 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@@H]1CCCn2ncnc21)C(=O)[O-] ZINC001594588507 956022968 /nfs/dbraw/zinc/02/29/68/956022968.db2.gz XOJCSAQEPGZKMF-PSASIEDQSA-N -1 0 304.310 -0.169 20 0 DBADRM Cn1nccc1[C@H](NC(=O)c1cc2n(n1)CCC[C@@H]2O)C(=O)[O-] ZINC001594589227 956033204 /nfs/dbraw/zinc/03/32/04/956033204.db2.gz IVAZFVNANJWOQS-RYUDHWBXSA-N -1 0 319.321 -0.001 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC(CCO)(CCO)CC1 ZINC001593920044 956066237 /nfs/dbraw/zinc/06/62/37/956066237.db2.gz XGOZIOOWZWBVQO-ZDUSSCGKSA-N -1 0 303.355 -0.150 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC(CCO)(CCO)CC1 ZINC001593920041 956066620 /nfs/dbraw/zinc/06/66/20/956066620.db2.gz XGOZIOOWZWBVQO-CYBMUJFWSA-N -1 0 303.355 -0.150 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC001593921872 956085618 /nfs/dbraw/zinc/08/56/18/956085618.db2.gz BRKLNDGEVSDWLA-KCJUWKMLSA-N -1 0 308.356 -0.997 20 0 DBADRM Cc1cc(C)n(CCC(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC000388025687 972152602 /nfs/dbraw/zinc/15/26/02/972152602.db2.gz GEFOVMJIMAXTJY-UHFFFAOYSA-N -1 0 306.326 -0.004 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)Nc1ccn(CC(=O)[O-])n1)CC2 ZINC001594596197 956090831 /nfs/dbraw/zinc/09/08/31/956090831.db2.gz DTEZFJKTHUIUGT-MRVPVSSYSA-N -1 0 304.310 -0.160 20 0 DBADRM Cn1nccc1CCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594596312 956092307 /nfs/dbraw/zinc/09/23/07/956092307.db2.gz DLMYBEGNXSDTAC-GFCCVEGCSA-N -1 0 322.365 -0.065 20 0 DBADRM Cn1nccc1[C@H]1CN(CN2C[C@H](C(=O)[O-])CC2=O)CCO1 ZINC001594596302 956092894 /nfs/dbraw/zinc/09/28/94/956092894.db2.gz CUKZYJKTLMUDSG-ZYHUDNBSSA-N -1 0 308.338 -0.316 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(CC(F)(F)CO)CC1 ZINC001593922370 956093066 /nfs/dbraw/zinc/09/30/66/956093066.db2.gz MBBHBUPOLKBBEW-NSHDSACASA-N -1 0 310.297 -0.752 20 0 DBADRM Cn1nccc1[C@H]1COCCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001594596340 956093672 /nfs/dbraw/zinc/09/36/72/956093672.db2.gz FZOYPUIFIBYTNU-GHMZBOCLSA-N -1 0 308.294 -0.451 20 0 DBADRM C[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)c1ncnn1C ZINC001589116113 956096413 /nfs/dbraw/zinc/09/64/13/956096413.db2.gz AZBHJEVTMSVWBB-MRVPVSSYSA-N -1 0 305.294 -0.448 20 0 DBADRM Cn1nccc1[C@H]1COCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001594596631 956098249 /nfs/dbraw/zinc/09/82/49/956098249.db2.gz GLNNXCAZUFLGOS-VXGBXAGGSA-N -1 0 308.338 -0.521 20 0 DBADRM Cn1nccc1CCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001594597256 956103528 /nfs/dbraw/zinc/10/35/28/956103528.db2.gz RQZWIHMEYUXDEW-UHFFFAOYSA-N -1 0 317.305 -0.189 20 0 DBADRM C[C@](NC(=O)c1cn(CC(=O)[O-])nn1)(C(N)=O)c1ccccc1 ZINC001589119830 956108506 /nfs/dbraw/zinc/10/85/06/956108506.db2.gz BPGCZQZJMFFBRB-CQSZACIVSA-N -1 0 317.305 -0.507 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC001594598501 956112664 /nfs/dbraw/zinc/11/26/64/956112664.db2.gz RTZVWTFLDQPUJT-UHFFFAOYSA-N -1 0 302.290 -0.143 20 0 DBADRM Cn1nnnc1-c1ccccc1NC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001594598534 956114496 /nfs/dbraw/zinc/11/44/96/956114496.db2.gz UDKGUEUWYZBTMI-CYBMUJFWSA-N -1 0 320.309 -0.166 20 0 DBADRM Cn1nncc1Cn1cc(CN2CCC(C(=O)[O-])CC2)nn1 ZINC001594598525 956114620 /nfs/dbraw/zinc/11/46/20/956114620.db2.gz SXTYIUCFWWAWMN-UHFFFAOYSA-N -1 0 305.342 -0.249 20 0 DBADRM Cn1ncnc1C1(O)CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001594599063 956118004 /nfs/dbraw/zinc/11/80/04/956118004.db2.gz JODWCGOFKZZYMM-CQSZACIVSA-N -1 0 324.337 -0.741 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001594599441 956120748 /nfs/dbraw/zinc/12/07/48/956120748.db2.gz WBZFIWLCFRPBKZ-UHFFFAOYSA-N -1 0 316.317 -0.214 20 0 DBADRM Cn1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cc1=O ZINC000388110029 972155852 /nfs/dbraw/zinc/15/58/52/972155852.db2.gz YYNAMQJWSZILQA-UHFFFAOYSA-N -1 0 303.278 -0.628 20 0 DBADRM Cn1nnnc1CCCNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001594601032 956130442 /nfs/dbraw/zinc/13/04/42/956130442.db2.gz IYIHWJKEQPKKTD-VHSXEESVSA-N -1 0 311.342 -0.471 20 0 DBADRM Cn1nnnc1CCOC(=O)C1(C(=O)[O-])CCSCC1 ZINC001594601480 956135487 /nfs/dbraw/zinc/13/54/87/956135487.db2.gz NOABWMNKXQCMJW-UHFFFAOYSA-N -1 0 300.340 -0.106 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@H]1CCN(c2nc(C)cc(=O)[nH]2)C1 ZINC001593927558 956145817 /nfs/dbraw/zinc/14/58/17/956145817.db2.gz LNLDIVBMKNNJIL-XPTSAGLGSA-N -1 0 324.337 -0.325 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C ZINC001593928077 956149284 /nfs/dbraw/zinc/14/92/84/956149284.db2.gz SCTOBDGHKGDIKG-OQPBUACISA-N -1 0 320.342 -0.522 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC001593930403 956170236 /nfs/dbraw/zinc/17/02/36/956170236.db2.gz CELBECBFMOHCCR-AWEZNQCLSA-N -1 0 323.305 -0.670 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(S(C)(=O)=O)nn1 ZINC001593930432 956171118 /nfs/dbraw/zinc/17/11/18/956171118.db2.gz DGFLGKXMDIQOOY-SNVBAGLBSA-N -1 0 303.296 -0.692 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1cccc(NS(N)(=O)=O)c1 ZINC001593931086 956180475 /nfs/dbraw/zinc/18/04/75/956180475.db2.gz JJHPCSSGFFXXIX-NSHDSACASA-N -1 0 317.323 -0.270 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1nnn(Cc2noc(C)n2)c1C ZINC001593931394 956185482 /nfs/dbraw/zinc/18/54/82/956185482.db2.gz SNYSEQICEODRQT-LBPRGKRZSA-N -1 0 324.297 -0.246 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)OCC(=O)N1CCOC(C)(C)C1 ZINC001593931621 956189297 /nfs/dbraw/zinc/18/92/97/956189297.db2.gz VRFRNNGKVMDLBB-CYBMUJFWSA-N -1 0 303.311 -0.343 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)OCC(=O)N1CCOC(C)(C)C1 ZINC001593931622 956189696 /nfs/dbraw/zinc/18/96/96/956189696.db2.gz VRFRNNGKVMDLBB-ZDUSSCGKSA-N -1 0 303.311 -0.343 20 0 DBADRM C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1nccn1C ZINC001589131780 956202953 /nfs/dbraw/zinc/20/29/53/956202953.db2.gz GMHFHPBTIUZXHZ-BDAKNGLRSA-N -1 0 302.356 -0.136 20 0 DBADRM C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C ZINC001589132198 956209832 /nfs/dbraw/zinc/20/98/32/956209832.db2.gz QAMBWNVEUBCXJB-JGVFFNPUSA-N -1 0 317.371 -0.664 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)OCc1coc(S(N)(=O)=O)c1 ZINC001593934065 956210717 /nfs/dbraw/zinc/21/07/17/956210717.db2.gz SCVXEINXSUPDOG-SNVBAGLBSA-N -1 0 307.280 -0.540 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)C(=O)[O-] ZINC000388282526 972163869 /nfs/dbraw/zinc/16/38/69/972163869.db2.gz ZXIKBHHVNWXUMQ-ZJUUUORDSA-N -1 0 314.338 -0.377 20 0 DBADRM C[C@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589132687 956217600 /nfs/dbraw/zinc/21/76/00/956217600.db2.gz XNBGLWMXQYCUSC-FBDQPXRJSA-N -1 0 321.395 -0.199 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C(C)C ZINC001593938053 956241307 /nfs/dbraw/zinc/24/13/07/956241307.db2.gz BYPAAOSAUPCWBL-VIFPVBQESA-N -1 0 312.326 -0.307 20 0 DBADRM C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)OCC(=O)C(=O)[O-] ZINC001589138244 956244966 /nfs/dbraw/zinc/24/49/66/956244966.db2.gz LKEXQCFPLVZRGH-HNNXBMFYSA-N -1 0 321.285 -0.410 20 0 DBADRM C[C@@](O)(CNC(=O)COCCNC(=O)c1ccccc1)C(=O)[O-] ZINC001589138348 956247120 /nfs/dbraw/zinc/24/71/20/956247120.db2.gz BDUDCGLGJOSPGS-OAHLLOKOSA-N -1 0 324.333 -0.615 20 0 DBADRM C[C@@](O)(CNC(=O)[C@H]1CN(Cc2ccccc2)CCO1)C(=O)[O-] ZINC001589138523 956249922 /nfs/dbraw/zinc/24/99/22/956249922.db2.gz FQGASYCTEUSQKY-CZUORRHYSA-N -1 0 322.361 -0.161 20 0 DBADRM CO[C@@H](CC(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001593938558 956250593 /nfs/dbraw/zinc/25/05/93/956250593.db2.gz PXLYEWPZAYWPNS-ZJUUUORDSA-N -1 0 307.368 -0.242 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C(F)(F)F ZINC001593939227 956263056 /nfs/dbraw/zinc/26/30/56/956263056.db2.gz ZFWMEZXGLBDRGD-RQJHMYQMSA-N -1 0 314.260 -0.141 20 0 DBADRM C[C@](O)(CNC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC001589140337 956264282 /nfs/dbraw/zinc/26/42/82/956264282.db2.gz HKDJDSOCUZESAF-ZDUSSCGKSA-N -1 0 305.294 -0.843 20 0 DBADRM C[C@](O)(CNC(=O)CSc1nnc2ccccn21)C(=O)[O-] ZINC001589140672 956266566 /nfs/dbraw/zinc/26/65/66/956266566.db2.gz SZWRHBIVNURNTC-LBPRGKRZSA-N -1 0 310.335 -0.227 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-] ZINC001589141074 956269146 /nfs/dbraw/zinc/26/91/46/956269146.db2.gz YHTUVHSZWKCJPX-CQSZACIVSA-N -1 0 305.290 -0.652 20 0 DBADRM C[C@@](O)(CNC(=O)c1cc2c([nH]c1=O)CCCC2=O)C(=O)[O-] ZINC001589144147 956273187 /nfs/dbraw/zinc/27/31/87/956273187.db2.gz CPQNSWZUGGOYDV-CQSZACIVSA-N -1 0 308.290 -0.128 20 0 DBADRM C[C@](O)(CNC(=O)Nc1cnn(-c2ncccn2)c1)C(=O)[O-] ZINC001589144312 956275605 /nfs/dbraw/zinc/27/56/05/956275605.db2.gz NIUDAXBJVCYTQV-LBPRGKRZSA-N -1 0 306.282 -0.381 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1cnn(-c2ncccn2)c1)C(=O)[O-] ZINC001589144311 956275924 /nfs/dbraw/zinc/27/59/24/956275924.db2.gz NIUDAXBJVCYTQV-GFCCVEGCSA-N -1 0 306.282 -0.381 20 0 DBADRM CO[C@]1(C(=O)N2CCC[C@@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001593943117 956294502 /nfs/dbraw/zinc/29/45/02/956294502.db2.gz FHXMOQHYPQFUTC-BXKDBHETSA-N -1 0 305.352 -0.487 20 0 DBADRM C[C@@H](O)C(C)(C)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589146735 956296573 /nfs/dbraw/zinc/29/65/73/956296573.db2.gz MLWICNDHRMWLSB-NXEZZACHSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001589146798 956297806 /nfs/dbraw/zinc/29/78/06/956297806.db2.gz NMVRIIVFFARCRE-QSFUFRPTSA-N -1 0 312.366 -0.169 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001589146800 956298412 /nfs/dbraw/zinc/29/84/12/956298412.db2.gz NMVRIIVFFARCRE-XPXLGCRWSA-N -1 0 312.366 -0.169 20 0 DBADRM CO[C@]1(C(=O)N2CCC[C@H](CC(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001593943360 956298536 /nfs/dbraw/zinc/29/85/36/956298536.db2.gz JSUJCJYNUMIZEI-ZWNOBZJWSA-N -1 0 319.379 -0.097 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CC1 ZINC001589146865 956299572 /nfs/dbraw/zinc/29/95/72/956299572.db2.gz NUAGPARUBYFANG-CMPLNLGQSA-N -1 0 312.366 -0.071 20 0 DBADRM CO[C@@]1(CNC(=O)C2(C(=O)[O-])CC=CC2)CCS(=O)(=O)C1 ZINC001593944065 956308863 /nfs/dbraw/zinc/30/88/63/956308863.db2.gz ZBSOZLUMBAPAKE-GFCCVEGCSA-N -1 0 317.363 -0.273 20 0 DBADRM CO[C@]1(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCOC1 ZINC001593944043 956308945 /nfs/dbraw/zinc/30/89/45/956308945.db2.gz YCDVSSSYOFCUMU-BPNCWPANSA-N -1 0 314.338 -0.466 20 0 DBADRM COC1(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CS(=O)(=O)C1 ZINC001593944009 956309557 /nfs/dbraw/zinc/30/95/57/956309557.db2.gz VGYXBKPKXSEDAC-IUCAKERBSA-N -1 0 305.352 -0.631 20 0 DBADRM COC1(C(=O)NCc2ccccc2C(=O)[O-])CS(=O)(=O)C1 ZINC001593944127 956310188 /nfs/dbraw/zinc/31/01/88/956310188.db2.gz XSBLQRIYYLWZLM-UHFFFAOYSA-N -1 0 313.331 -0.185 20 0 DBADRM C[C@@](O)(CO)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001589147584 956311024 /nfs/dbraw/zinc/31/10/24/956311024.db2.gz HEVJMGMKBZPNSF-ZDUSSCGKSA-N -1 0 314.269 -0.678 20 0 DBADRM COC(OC)C(=O)N1CCN(C(=O)CCCCC(=O)[O-])CC1 ZINC001593944365 956314052 /nfs/dbraw/zinc/31/40/52/956314052.db2.gz GGHXTYYTURZMOJ-UHFFFAOYSA-N -1 0 316.354 -0.079 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1ccnn1CC1CCC1)C(=O)[O-] ZINC001589147987 956317411 /nfs/dbraw/zinc/31/74/11/956317411.db2.gz MANLJVUQNHCORV-LBPRGKRZSA-N -1 0 317.367 -0.203 20 0 DBADRM CO[C@@]1(COC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCOC1 ZINC001593945681 956325936 /nfs/dbraw/zinc/32/59/36/956325936.db2.gz FKJNDAFSKKPTEJ-HZMBPMFUSA-N -1 0 315.322 -0.342 20 0 DBADRM CO[C@@]1(COC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCOC1 ZINC001593945684 956326197 /nfs/dbraw/zinc/32/61/97/956326197.db2.gz FKJNDAFSKKPTEJ-YGRLFVJLSA-N -1 0 315.322 -0.342 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N(C[C@H](C)O)C1CC1)C(=O)[O-] ZINC001589151966 956327984 /nfs/dbraw/zinc/32/79/84/956327984.db2.gz GCNOYXNBHGDJEZ-GXSJLCMTSA-N -1 0 300.355 -0.169 20 0 DBADRM CO[C@]1(CO)CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001593945883 956328540 /nfs/dbraw/zinc/32/85/40/956328540.db2.gz PZVMNKHXYDGQQO-CMPLNLGQSA-N -1 0 322.383 -0.747 20 0 DBADRM C[C@@H](O)CN(C)C(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001589152200 956331423 /nfs/dbraw/zinc/33/14/23/956331423.db2.gz KXNKGPJXJGAYPC-GHMZBOCLSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@H](O)CN(C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)[C@@H](C)CO ZINC001589152209 956331924 /nfs/dbraw/zinc/33/19/24/956331924.db2.gz KZUUMBMNDUXZRL-FIQHERPVSA-N -1 0 303.355 -0.154 20 0 DBADRM C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001589152253 956333225 /nfs/dbraw/zinc/33/32/25/956333225.db2.gz DQTOGFCLKBPBNZ-AXFHLTTASA-N -1 0 314.338 -0.940 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)Nc1ccccc1C(=O)[O-])[C@@H](C)CO ZINC001589152315 956334765 /nfs/dbraw/zinc/33/47/65/956334765.db2.gz MVFBKJVNYQPWRZ-UWVGGRQHSA-N -1 0 324.333 -0.087 20 0 DBADRM C[C@H](O)CCN(C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589152458 956336357 /nfs/dbraw/zinc/33/63/57/956336357.db2.gz ORDFJEJUVVGHIG-WDEREUQCSA-N -1 0 315.370 -0.136 20 0 DBADRM C[C@H](O)CCN(C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589152457 956336778 /nfs/dbraw/zinc/33/67/78/956336778.db2.gz ORDFJEJUVVGHIG-QWRGUYRKSA-N -1 0 315.370 -0.136 20 0 DBADRM C[C@@H](O)CN(C(=O)NCC1(C(=O)[O-])CCOCC1)[C@@H](C)CO ZINC001589152493 956337753 /nfs/dbraw/zinc/33/77/53/956337753.db2.gz OXDSLHCZEOLAHK-WDEREUQCSA-N -1 0 318.370 -0.359 20 0 DBADRM CO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1(C)C ZINC001593946985 956338896 /nfs/dbraw/zinc/33/88/96/956338896.db2.gz NLQYNBOVHVVUDE-RKDXNWHRSA-N -1 0 324.337 -0.164 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CCO1 ZINC001589153332 956347974 /nfs/dbraw/zinc/34/79/74/956347974.db2.gz PMTDABQPHBZAAW-CABZTGNLSA-N -1 0 322.317 -0.069 20 0 DBADRM CO[C@@H]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001593949279 956360391 /nfs/dbraw/zinc/36/03/91/956360391.db2.gz NJMGYYKECOFNPF-NXEZZACHSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)NCC2(C(=O)[O-])CCOCC2)nn1 ZINC001589154770 956368425 /nfs/dbraw/zinc/36/84/25/956368425.db2.gz ZUJOMORRUIWICG-SECBINFHSA-N -1 0 312.326 -0.671 20 0 DBADRM NC(=O)[C@@H](F)C1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001594636215 956374001 /nfs/dbraw/zinc/37/40/01/956374001.db2.gz CHTOJLFRZXOXCN-TVQRCGJNSA-N -1 0 302.302 -0.318 20 0 DBADRM C[C@H](OC(=O)CCCC(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001589156541 956375959 /nfs/dbraw/zinc/37/59/59/956375959.db2.gz STARJVLXIRCHSF-DTWKUNHWSA-N -1 0 321.351 -0.524 20 0 DBADRM C[C@H](OC(=O)C(C)(C)C(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC001589158125 956380991 /nfs/dbraw/zinc/38/09/91/956380991.db2.gz BEFQGFJZFILPNH-QMMMGPOBSA-N -1 0 314.338 -0.234 20 0 DBADRM CO[C@H]1COCC[C@H]1CC(=O)OCc1cn(CC(=O)[O-])nn1 ZINC001593950848 956381311 /nfs/dbraw/zinc/38/13/11/956381311.db2.gz HJLDLLCQFBDJOD-ONGXEEELSA-N -1 0 313.310 -0.153 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC001593950980 956383580 /nfs/dbraw/zinc/38/35/80/956383580.db2.gz IIVKKYSCIDZVDA-LPEHRKFASA-N -1 0 302.327 -0.914 20 0 DBADRM NC(=O)[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)c1ccc(F)cc1 ZINC001594637195 956383842 /nfs/dbraw/zinc/38/38/42/956383842.db2.gz YQQFJIUDQJZRNS-LLVKDONJSA-N -1 0 321.268 -0.542 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593951419 956390851 /nfs/dbraw/zinc/39/08/51/956390851.db2.gz ONZPBTSJZXIQRC-RGOKHQFPSA-N -1 0 320.367 -0.649 20 0 DBADRM C[C@@H](OC(=O)[C@@H](C)C(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC001589159114 956391118 /nfs/dbraw/zinc/39/11/18/956391118.db2.gz RBMCSUVWEGQFCI-JGVFFNPUSA-N -1 0 300.311 -0.624 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)NCCCCC(=O)[O-] ZINC001593951646 956393293 /nfs/dbraw/zinc/39/32/93/956393293.db2.gz QGNWGAGDBMAGAE-WDEREUQCSA-N -1 0 316.354 -0.380 20 0 DBADRM NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)NCC(=O)[O-] ZINC001594638541 956394603 /nfs/dbraw/zinc/39/46/03/956394603.db2.gz LQMZHUCAGOAPPG-VIFPVBQESA-N -1 0 311.269 -1.000 20 0 DBADRM NC(=O)[C@H]1CCC[C@@H](C(=O)OCCc2cn(CC(=O)[O-])nn2)C1 ZINC001594638795 956397291 /nfs/dbraw/zinc/39/72/91/956397291.db2.gz SJSOMVNQTXQRPW-VHSXEESVSA-N -1 0 324.337 -0.260 20 0 DBADRM NC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001594639209 956401924 /nfs/dbraw/zinc/40/19/24/956401924.db2.gz ROECVQKNHMAANX-HBNTYKKESA-N -1 0 314.338 -0.641 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001594639186 956401998 /nfs/dbraw/zinc/40/19/98/956401998.db2.gz WFPSWEBUUNUMAQ-LMCGPQHNSA-N -1 0 310.350 -0.162 20 0 DBADRM NC(=O)[C@H]1c2ccccc2CCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001594639592 956407246 /nfs/dbraw/zinc/40/72/46/956407246.db2.gz WWSQBSNJXOPJDC-GXTWGEPZSA-N -1 0 317.345 -0.243 20 0 DBADRM NC(=O)[C@@H]1CCCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001594641182 956421560 /nfs/dbraw/zinc/42/15/60/956421560.db2.gz ZJRUBTWUSNWTSN-SECBINFHSA-N -1 0 307.306 -0.730 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)CC1 ZINC001594641677 956426633 /nfs/dbraw/zinc/42/66/33/956426633.db2.gz XXVPSVLMNGAKNQ-OWOJBTEDSA-N -1 0 307.306 -0.380 20 0 DBADRM COC[C@H](Cn1nnnc1N1C[C@H](C(=O)[O-])C[C@H](C)C1)OC ZINC001593956524 956432808 /nfs/dbraw/zinc/43/28/08/956432808.db2.gz AQACRFJLVQKYMO-AXFHLTTASA-N -1 0 313.358 -0.119 20 0 DBADRM NC(=O)Cn1cc(NC(=O)c2ccc(C(=O)[O-])nc2)ccc1=O ZINC001594644684 956434942 /nfs/dbraw/zinc/43/49/42/956434942.db2.gz JCWPIJOXUQDMFI-UHFFFAOYSA-N -1 0 316.273 -0.321 20 0 DBADRM NC(=O)NC[C@H]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001594647291 956440348 /nfs/dbraw/zinc/44/03/48/956440348.db2.gz CBCQGJHZTTUALN-MRVPVSSYSA-N -1 0 307.310 -0.305 20 0 DBADRM COC[C@@H](CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)OC ZINC001593957147 956441333 /nfs/dbraw/zinc/44/13/33/956441333.db2.gz AVQIKEMXURQWAF-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C1CC1 ZINC001593957087 956441383 /nfs/dbraw/zinc/44/13/83/956441383.db2.gz OYDOFGOMTUVZHP-VIFPVBQESA-N -1 0 310.310 -0.553 20 0 DBADRM COC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001593957298 956443811 /nfs/dbraw/zinc/44/38/11/956443811.db2.gz FOGQNJSPXMDCKP-SNVBAGLBSA-N -1 0 310.306 -0.624 20 0 DBADRM COC[C@H](CNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1)OC ZINC001593957446 956446224 /nfs/dbraw/zinc/44/62/24/956446224.db2.gz FYQULMNDRYASNE-ILDUYXDCSA-N -1 0 316.354 -0.476 20 0 DBADRM COC[C@H](CS(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)OC ZINC001593957520 956447517 /nfs/dbraw/zinc/44/75/17/956447517.db2.gz WAOIHMXOWXLVJJ-UMNHJUIQSA-N -1 0 323.367 -0.989 20 0 DBADRM COC[C@H](CS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)OC ZINC001593957514 956447816 /nfs/dbraw/zinc/44/78/16/956447816.db2.gz WAOIHMXOWXLVJJ-CKYFFXLPSA-N -1 0 323.367 -0.989 20 0 DBADRM COC[C@H](NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)C(N)=O ZINC001593958025 956455446 /nfs/dbraw/zinc/45/54/46/956455446.db2.gz YEPYXEPBMLFCCB-ZETCQYMHSA-N -1 0 313.314 -0.675 20 0 DBADRM COC[C@H](CO)NC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001593958143 956458478 /nfs/dbraw/zinc/45/84/78/956458478.db2.gz PWHZQXNWBJETOH-DUEVMTECSA-N -1 0 316.354 -0.295 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H]2CCCO2)C1 ZINC001593958519 956464049 /nfs/dbraw/zinc/46/40/49/956464049.db2.gz FTLUYBCDKHMGAK-HZMBPMFUSA-N -1 0 314.338 -0.769 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])[nH]1 ZINC001594650038 956466785 /nfs/dbraw/zinc/46/67/85/956466785.db2.gz XXWFWNCDRPRWJN-NSHDSACASA-N -1 0 302.290 -0.066 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)[nH]1 ZINC001594650055 956466804 /nfs/dbraw/zinc/46/68/04/956466804.db2.gz ZJSHKXUDWUZRKE-JTQLQIEISA-N -1 0 322.321 -0.691 20 0 DBADRM NC(=O)c1ccc(CNC(=O)c2cccn(CC(=O)[O-])c2=O)o1 ZINC001594650656 956472456 /nfs/dbraw/zinc/47/24/56/956472456.db2.gz ILSFOPIWIGVRFF-UHFFFAOYSA-N -1 0 319.273 -0.445 20 0 DBADRM NC(=O)c1ccc(CCN2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC001594650708 956473566 /nfs/dbraw/zinc/47/35/66/956473566.db2.gz LBNXZRFZZOLVPN-UHFFFAOYSA-N -1 0 305.334 -0.443 20 0 DBADRM NC(=O)c1ccc(CNC(=O)C2(C(=O)[O-])CCOCC2)cn1 ZINC001594651215 956474868 /nfs/dbraw/zinc/47/48/68/956474868.db2.gz VWOUXOCROQKILG-UHFFFAOYSA-N -1 0 307.306 -0.322 20 0 DBADRM NC(=O)c1ccc(CC(=O)Nc2cnn(CC(=O)[O-])c2)cn1 ZINC001594651227 956475127 /nfs/dbraw/zinc/47/51/27/956475127.db2.gz WBQSABSVOLYJID-UHFFFAOYSA-N -1 0 303.278 -0.357 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C2(S(C)(=O)=O)CC2)C1 ZINC001593959754 956475842 /nfs/dbraw/zinc/47/58/42/956475842.db2.gz DOERJPOSZMNXCL-NSHDSACASA-N -1 0 305.352 -0.487 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C2(S(C)(=O)=O)CC2)C1 ZINC001593959753 956476396 /nfs/dbraw/zinc/47/63/96/956476396.db2.gz DOERJPOSZMNXCL-LLVKDONJSA-N -1 0 305.352 -0.487 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001593960141 956479690 /nfs/dbraw/zinc/47/96/90/956479690.db2.gz NPFUJJNPUWTJGI-LKFCYVNXSA-N -1 0 324.337 -0.504 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001593960142 956479936 /nfs/dbraw/zinc/47/99/36/956479936.db2.gz NPFUJJNPUWTJGI-OTYXRUKQSA-N -1 0 324.337 -0.504 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C2=CCS(=O)(=O)C2)C1 ZINC001593960251 956482043 /nfs/dbraw/zinc/48/20/43/956482043.db2.gz RRHZUMHATHHNBW-GFCCVEGCSA-N -1 0 303.336 -0.709 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@]2(COC)CCOC2)C1 ZINC001593960318 956482064 /nfs/dbraw/zinc/48/20/64/956482064.db2.gz UWPHMZWQTLGSMF-KGLIPLIRSA-N -1 0 301.339 -0.011 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1 ZINC001594653686 956490048 /nfs/dbraw/zinc/49/00/48/956490048.db2.gz CQZKVWFFHOWFED-LURJTMIESA-N -1 0 302.312 -0.999 20 0 DBADRM NC(Cn1cnc2ccccc21)=NOCC(=O)NCC(=O)[O-] ZINC001594653956 956492366 /nfs/dbraw/zinc/49/23/66/956492366.db2.gz HFUKTFSBIVLLBF-UHFFFAOYSA-N -1 0 305.294 -0.264 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001594654221 956494445 /nfs/dbraw/zinc/49/44/45/956494445.db2.gz MHTCSAQDTBNWAT-SECBINFHSA-N -1 0 320.367 -0.853 20 0 DBADRM C[C@@H](c1ccncc1)N(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001589175779 956499614 /nfs/dbraw/zinc/49/96/14/956499614.db2.gz LBYCLQNRNIYAEU-CMPLNLGQSA-N -1 0 321.333 -0.087 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)ccn1 ZINC001594655104 956502260 /nfs/dbraw/zinc/50/22/60/956502260.db2.gz LUGBZQVJIUQTIB-BDAKNGLRSA-N -1 0 313.335 -0.288 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)NCCCCC(=O)[O-] ZINC001594657083 956506192 /nfs/dbraw/zinc/50/61/92/956506192.db2.gz AOPLTHXZSVPNGS-SECBINFHSA-N -1 0 307.372 -0.296 20 0 DBADRM NS(=O)(=O)c1ccc(CNc2cnn(CC(=O)[O-])c2)o1 ZINC001594660733 956534507 /nfs/dbraw/zinc/53/45/07/956534507.db2.gz ZTTMBTMWCBSLGI-UHFFFAOYSA-N -1 0 300.296 -0.180 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001589183452 956546734 /nfs/dbraw/zinc/54/67/34/956546734.db2.gz CFVXAISXTDMFPM-GFCCVEGCSA-N -1 0 304.368 -0.818 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](O)[C@@H](F)C2)C1 ZINC001589187190 956563430 /nfs/dbraw/zinc/56/34/30/956563430.db2.gz MYKYAQOMCGMVSW-RVBZMBCESA-N -1 0 302.302 -0.759 20 0 DBADRM Nc1nccnc1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594665039 956566121 /nfs/dbraw/zinc/56/61/21/956566121.db2.gz MSXSJKBTUKYXAL-QMMMGPOBSA-N -1 0 307.310 -0.746 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)C1 ZINC001589187304 956566390 /nfs/dbraw/zinc/56/63/90/956566390.db2.gz PQRGSTNTJZWGAX-QPUJVOFHSA-N -1 0 320.292 -0.462 20 0 DBADRM Nc1ncccc1CNC(=O)NCCOCCOCC(=O)[O-] ZINC001594665127 956566581 /nfs/dbraw/zinc/56/65/81/956566581.db2.gz RNLAQBNNKUIZPE-UHFFFAOYSA-N -1 0 312.326 -0.419 20 0 DBADRM Nc1ccc(CCC(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001594665452 956570089 /nfs/dbraw/zinc/57/00/89/956570089.db2.gz DCGBBWOUPQRCDL-SNVBAGLBSA-N -1 0 307.306 -0.175 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC2(CC(N)=O)CC2)C1 ZINC001589188176 956574887 /nfs/dbraw/zinc/57/48/87/956574887.db2.gz VHSCJKWTSLDDME-CYBMUJFWSA-N -1 0 311.338 -0.919 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCc3ncncc3C2)C1 ZINC001589188172 956575087 /nfs/dbraw/zinc/57/50/87/956575087.db2.gz VCASIKUVDRFIRT-HNNXBMFYSA-N -1 0 318.333 -0.316 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[C@H]1CCC3N=NC(=O)N3C1)C2 ZINC001594666994 956585507 /nfs/dbraw/zinc/58/55/07/956585507.db2.gz ACHDPOALBRUKEC-FZNYLWTLSA-N -1 0 322.321 -0.894 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC001589191306 956594753 /nfs/dbraw/zinc/59/47/53/956594753.db2.gz OUSFLLYBWCVFQE-UHFFFAOYSA-N -1 0 312.370 -0.686 20 0 DBADRM Nc1n[nH]c(C2CCN(C(=O)[C@H]3CC(C(=O)[O-])=NO3)CC2)n1 ZINC001594668656 956600357 /nfs/dbraw/zinc/60/03/57/956600357.db2.gz XQWGOEUKCANYRT-MRVPVSSYSA-N -1 0 308.298 -0.678 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CC2OCCCO2)CCO1 ZINC001593970603 956609670 /nfs/dbraw/zinc/60/96/70/956609670.db2.gz AUYWHYTYXZQAQC-CYBMUJFWSA-N -1 0 303.311 -0.532 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCC2CCOCC2)CCO1 ZINC001593970689 956611282 /nfs/dbraw/zinc/61/12/82/956611282.db2.gz LSDQUHOMWNSRES-AWEZNQCLSA-N -1 0 316.354 -0.075 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C2(OC)CCOCC2)CCO1 ZINC001593973674 956644325 /nfs/dbraw/zinc/64/43/25/956644325.db2.gz OMFWZZXYTFPRGB-CQSZACIVSA-N -1 0 317.338 -0.489 20 0 DBADRM C[C@]1(C(N)=O)CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001589202834 956644734 /nfs/dbraw/zinc/64/47/34/956644734.db2.gz FFQMBIUNNYFSTL-XPTSAGLGSA-N -1 0 311.338 -0.967 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(c2nnnn2[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC001589203027 956645607 /nfs/dbraw/zinc/64/56/07/956645607.db2.gz IKKGAOPADHKSFN-QMTHXVAHSA-N -1 0 320.353 -0.090 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H]2CCc3[nH]cnc3C2)CCO1 ZINC001593973977 956648050 /nfs/dbraw/zinc/64/80/50/956648050.db2.gz ONRPBMORLQYTMC-BONVTDFDSA-N -1 0 323.349 -0.157 20 0 DBADRM C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC001589203333 956648162 /nfs/dbraw/zinc/64/81/62/956648162.db2.gz LOKSJTKBKOERHN-ZIAGYGMSSA-N -1 0 311.338 -0.967 20 0 DBADRM CC1(C(N)=O)CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001589203537 956648906 /nfs/dbraw/zinc/64/89/06/956648906.db2.gz OMZYXGDPRJZRDG-UHFFFAOYSA-N -1 0 306.278 -0.948 20 0 DBADRM C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC001589203585 956649066 /nfs/dbraw/zinc/64/90/66/956649066.db2.gz QGKNWUCABVNZKY-CQSZACIVSA-N -1 0 313.354 -0.529 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@@H]2CCO[C@H]21 ZINC001589206730 956669968 /nfs/dbraw/zinc/66/99/68/956669968.db2.gz KGJUHBHRCIVKKX-LADJIXMOSA-N -1 0 310.350 -0.105 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2nnnn2[C@H]2CCCOC2)C1 ZINC001593977178 956675189 /nfs/dbraw/zinc/67/51/89/956675189.db2.gz ZPEPNFURZGRFNY-GWCFXTLKSA-N -1 0 311.342 -0.048 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2nnnn2[C@H]2CCCOC2)C1 ZINC001593977179 956675231 /nfs/dbraw/zinc/67/52/31/956675231.db2.gz ZPEPNFURZGRFNY-GXFFZTMASA-N -1 0 311.342 -0.048 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC001589210881 956685053 /nfs/dbraw/zinc/68/50/53/956685053.db2.gz DLQQZAGIJJTHCO-ZIAGYGMSSA-N -1 0 309.322 -0.312 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H](NC=O)C(C)C)CCO1 ZINC001593978505 956687651 /nfs/dbraw/zinc/68/76/51/956687651.db2.gz TUAJTTWIQWVTHH-GXFFZTMASA-N -1 0 302.327 -0.914 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)Nc2nc(C)no2)CCO1 ZINC001593978688 956690382 /nfs/dbraw/zinc/69/03/82/956690382.db2.gz VZJHRKJGJWLTCT-NSHDSACASA-N -1 0 300.271 -0.288 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2ccc(C(N)=O)cn2)CCO1 ZINC001593979827 956706652 /nfs/dbraw/zinc/70/66/52/956706652.db2.gz JAUJBGQSIJBPSA-CQSZACIVSA-N -1 0 323.305 -0.877 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC001589213347 956714391 /nfs/dbraw/zinc/71/43/91/956714391.db2.gz ZBKUSUIXKUHRMB-PRHODGIISA-N -1 0 304.368 -0.233 20 0 DBADRM CC1(C)C[C@@](C)(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C(=O)O1 ZINC001589214020 956721147 /nfs/dbraw/zinc/72/11/47/956721147.db2.gz MNKXNRIWYRERGQ-AMIZOPFISA-N -1 0 300.311 -0.034 20 0 DBADRM CC1(C)C[C@@](C)(NC(=O)N2CCO[C@H](C(=O)[O-])C2)C(=O)O1 ZINC001589214021 956721255 /nfs/dbraw/zinc/72/12/55/956721255.db2.gz MNKXNRIWYRERGQ-ISVAXAHUSA-N -1 0 300.311 -0.034 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(Cc2nc(C3CC3)nn2C)CCO1 ZINC001593983587 956733485 /nfs/dbraw/zinc/73/34/85/956733485.db2.gz KCWRZAQHVHVLPU-CQSZACIVSA-N -1 0 310.354 -0.006 20 0 DBADRM COC[C@@]1(C(=O)OC)CCCCN1C(=O)[C@@H](OC)C(=O)[O-] ZINC001593983645 956735073 /nfs/dbraw/zinc/73/50/73/956735073.db2.gz AKDSWMKDCPXVCM-NOZJJQNGSA-N -1 0 303.311 -0.343 20 0 DBADRM COC[C@]1(C(=O)OC)CCCCN1C(=O)[C@@H](OC)C(=O)[O-] ZINC001593983647 956735285 /nfs/dbraw/zinc/73/52/85/956735285.db2.gz AKDSWMKDCPXVCM-RNCFNFMXSA-N -1 0 303.311 -0.343 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)CN1C(=O)CCC1=O ZINC001594691177 956750059 /nfs/dbraw/zinc/75/00/59/956750059.db2.gz FQRQWTIXNGKSRB-JTQLQIEISA-N -1 0 305.290 -0.658 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(Cc2nnc(OC)s2)CCO1 ZINC001593984552 956751059 /nfs/dbraw/zinc/75/10/59/956751059.db2.gz QXEFHAZXWZPZIE-LLVKDONJSA-N -1 0 303.340 -0.151 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(Cc2nnc(OC)s2)CCO1 ZINC001593984554 956751210 /nfs/dbraw/zinc/75/12/10/956751210.db2.gz QXEFHAZXWZPZIE-NSHDSACASA-N -1 0 303.340 -0.151 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2ncnc3c2ncn3C)CCO1 ZINC001593984683 956754014 /nfs/dbraw/zinc/75/40/14/956754014.db2.gz KDHIALHWZDJYDI-ZDUSSCGKSA-N -1 0 307.310 -0.330 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC001593985106 956761773 /nfs/dbraw/zinc/76/17/73/956761773.db2.gz CXERNQSAAGGRIH-JQWIXIFHSA-N -1 0 307.368 -0.777 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C[C@H](O)CC2(O)CCCC2)CCO1 ZINC001593985427 956768819 /nfs/dbraw/zinc/76/88/19/956768819.db2.gz GRSVLLGLKAALFN-IUODEOHRSA-N -1 0 317.382 -0.156 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1nccs1 ZINC001594696326 956773120 /nfs/dbraw/zinc/77/31/20/956773120.db2.gz PHYBADFINYEPNI-SSDOTTSWSA-N -1 0 319.364 -0.735 20 0 DBADRM O=C(CN1CCOC1=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594696277 956773801 /nfs/dbraw/zinc/77/38/01/956773801.db2.gz MFWUFKHFBKAJAY-OPASDULOSA-N -1 0 312.322 -0.033 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2[C@@H]2C=CCC2)CCO1 ZINC001593985767 956774944 /nfs/dbraw/zinc/77/49/44/956774944.db2.gz VDTDYXLZIJKEOG-MFKMUULPSA-N -1 0 309.326 -0.129 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCC(=O)Nc2cccnc2)cn1 ZINC001594697029 956780125 /nfs/dbraw/zinc/78/01/25/956780125.db2.gz NGXWSMZLEXAQTF-UHFFFAOYSA-N -1 0 301.262 -0.062 20 0 DBADRM O=C([O-])C(=O)COC(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC001594697336 956785756 /nfs/dbraw/zinc/78/57/56/956785756.db2.gz IEIZSRHPQSGBBJ-UHFFFAOYSA-N -1 0 319.266 -0.699 20 0 DBADRM COC[C@@]1(C)CN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CCO1 ZINC001593986636 956795050 /nfs/dbraw/zinc/79/50/50/956795050.db2.gz CYAOPDOQSAPWOV-TVQRCGJNSA-N -1 0 302.327 -0.913 20 0 DBADRM COCC1(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)CCOCC1 ZINC001593987521 956801530 /nfs/dbraw/zinc/80/15/30/956801530.db2.gz CWTRAYWQWDFVRB-NSHDSACASA-N -1 0 316.354 -0.075 20 0 DBADRM COC[C@H]1CCCN1C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593989402 956817164 /nfs/dbraw/zinc/81/71/64/956817164.db2.gz LNJHUQZGFPBKCY-SECBINFHSA-N -1 0 310.310 -0.456 20 0 DBADRM COC[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593989403 956818156 /nfs/dbraw/zinc/81/81/56/956818156.db2.gz LNJHUQZGFPBKCY-VIFPVBQESA-N -1 0 310.310 -0.456 20 0 DBADRM COCCC(=O)N1CCC(NC(=O)COCC(=O)[O-])CC1 ZINC001593989929 956827472 /nfs/dbraw/zinc/82/74/72/956827472.db2.gz LYMVJUHHPYQGTF-UHFFFAOYSA-N -1 0 302.327 -0.769 20 0 DBADRM C[C@@]1(CC(=O)N(CC(=O)[O-])CC2CC2)CCS(=O)(=O)N1 ZINC001589239932 956870386 /nfs/dbraw/zinc/87/03/86/956870386.db2.gz MPTIWAQULDNGTJ-LBPRGKRZSA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@]1([C@H]2CCCN(C(=O)COCC(=O)[O-])C2)COC(=O)N1 ZINC001589240536 956881684 /nfs/dbraw/zinc/88/16/84/956881684.db2.gz USWPZHDFNPJJHB-TVQRCGJNSA-N -1 0 300.311 -0.175 20 0 DBADRM C[C@@]1([C@H]2CCCN(C(=O)COCC(=O)[O-])C2)COC(=O)N1 ZINC001589240538 956882231 /nfs/dbraw/zinc/88/22/31/956882231.db2.gz USWPZHDFNPJJHB-ZANVPECISA-N -1 0 300.311 -0.175 20 0 DBADRM CC1(CNC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)OCCCO1 ZINC001589241418 956890613 /nfs/dbraw/zinc/89/06/13/956890613.db2.gz MKNZNJIMWCUHET-UHFFFAOYSA-N -1 0 323.305 -0.012 20 0 DBADRM C[C@]1(CNC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CCC(=O)N1 ZINC001589241384 956890823 /nfs/dbraw/zinc/89/08/23/956890823.db2.gz KEZLMHFLYAOKOO-CQSZACIVSA-N -1 0 320.305 -0.497 20 0 DBADRM COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H](C)C(=O)[O-])CC1=O ZINC001593995710 956893555 /nfs/dbraw/zinc/89/35/55/956893555.db2.gz PRWZSVHXAHGFIS-WDEREUQCSA-N -1 0 315.370 -0.998 20 0 DBADRM CC[S@@](=O)CCNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000389419808 972223950 /nfs/dbraw/zinc/22/39/50/972223950.db2.gz NEVPCXLPUXVCBH-GOSISDBHSA-N -1 0 306.365 -0.173 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CCN1C(=O)C(C)=C(C)C1=O ZINC001593996753 956899877 /nfs/dbraw/zinc/89/98/77/956899877.db2.gz OJGMDWFXEDPWSP-UHFFFAOYSA-N -1 0 312.322 -0.359 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)COCc1nnc(C)s1 ZINC001593996864 956901223 /nfs/dbraw/zinc/90/12/23/956901223.db2.gz DRZDYIJSWGSRKF-UHFFFAOYSA-N -1 0 303.340 -0.077 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)C1=C(C)N(C)c2nnnn2[C@H]1C ZINC001593997592 956907395 /nfs/dbraw/zinc/90/73/95/956907395.db2.gz UKCDUZWVCOCBDX-VIFPVBQESA-N -1 0 324.341 -0.483 20 0 DBADRM O=C([O-])[C@]1(NC(=O)Cn2ncc3ccccc3c2=O)CCOC1 ZINC001594714714 956911825 /nfs/dbraw/zinc/91/18/25/956911825.db2.gz MHNJZDJQEDUMFD-HNNXBMFYSA-N -1 0 317.301 -0.244 20 0 DBADRM O=C([O-])c1c[nH]nc1NC(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001594714866 956914689 /nfs/dbraw/zinc/91/46/89/956914689.db2.gz OZFCZTOHQUZXNZ-UHFFFAOYSA-N -1 0 320.309 -0.169 20 0 DBADRM COCCN(C[C@@H](O)C(F)(F)F)C(=O)COCC(=O)[O-] ZINC001594000294 956924434 /nfs/dbraw/zinc/92/44/34/956924434.db2.gz PKCACHPWLYQQTO-SSDOTTSWSA-N -1 0 303.233 -0.514 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cnc(N)c(C)c1 ZINC001594000358 956925797 /nfs/dbraw/zinc/92/57/97/956925797.db2.gz WPGNTTMSYDIONI-UHFFFAOYSA-N -1 0 303.340 -0.306 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CCOC[C@@H]1C ZINC001594000803 956927069 /nfs/dbraw/zinc/92/70/69/956927069.db2.gz FAZQEUAXDUDEEB-WDEREUQCSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@H](C)[C@@H]1CO ZINC001594001130 956929975 /nfs/dbraw/zinc/92/99/75/956929975.db2.gz LUMUPAUINNLMMK-MNOVXSKESA-N -1 0 316.354 -0.835 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@H](F)C1 ZINC001594001474 956933393 /nfs/dbraw/zinc/93/33/93/956933393.db2.gz RTYUHWXGCLJKDP-JTQLQIEISA-N -1 0 304.318 -0.103 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@]1(C)CCCS1(=O)=O ZINC001594001818 956936329 /nfs/dbraw/zinc/93/63/29/956936329.db2.gz WRXQLRYNAKWQLD-GFCCVEGCSA-N -1 0 307.368 -0.097 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001594002521 956941230 /nfs/dbraw/zinc/94/12/30/956941230.db2.gz PFXFEVSRZTXRIK-GFCCVEGCSA-N -1 0 322.383 -0.592 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001594004629 956949768 /nfs/dbraw/zinc/94/97/68/956949768.db2.gz BDGBYKZRDGCMGA-UWVGGRQHSA-N -1 0 317.342 -0.848 20 0 DBADRM C[C@]1(O)CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001589249959 956957125 /nfs/dbraw/zinc/95/71/25/956957125.db2.gz PIDLWGQTNFNFHU-ZDUSSCGKSA-N -1 0 310.310 -0.720 20 0 DBADRM C[C@@]1(O)CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001589250081 956959824 /nfs/dbraw/zinc/95/98/24/956959824.db2.gz YLBJPGNCJQYDQF-LLVKDONJSA-N -1 0 305.352 -0.751 20 0 DBADRM C[C@]1(O)CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001589250082 956959850 /nfs/dbraw/zinc/95/98/50/956959850.db2.gz YLBJPGNCJQYDQF-NSHDSACASA-N -1 0 305.352 -0.751 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NC[C@H]1C[C@H]1C(=O)OC ZINC001594005485 956966629 /nfs/dbraw/zinc/96/66/29/956966629.db2.gz QRLTZAQXVRDCKI-NXEZZACHSA-N -1 0 302.327 -0.072 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2ccc3n[nH]c(=S)n3c2)CCOC1 ZINC001594723771 956981768 /nfs/dbraw/zinc/98/17/68/956981768.db2.gz KKLUPMQRZMUXIG-LBPRGKRZSA-N -1 0 308.319 -0.009 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2cccc(Nc3nn[nH]n3)c2)CCOC1 ZINC001594723791 956982266 /nfs/dbraw/zinc/98/22/66/956982266.db2.gz KTZTYWBDBXZIKQ-ZDUSSCGKSA-N -1 0 318.293 -0.083 20 0 DBADRM C[C@]12CN(C(=O)c3cnc(C(=O)[O-])cn3)C[C@]1(C)C(=O)NC2=O ZINC001589255223 956984091 /nfs/dbraw/zinc/98/40/91/956984091.db2.gz SIOPZPDKUOHSBL-ZIAGYGMSSA-N -1 0 318.289 -0.700 20 0 DBADRM COCCN(CCC(=O)[O-])CC(=O)N=[S@](C)(=O)N(C)C ZINC001594011183 956994385 /nfs/dbraw/zinc/99/43/85/956994385.db2.gz PWKABWWOZHTGMV-FQEVSTJZSA-N -1 0 309.388 -0.490 20 0 DBADRM COCCN(CCC(=O)[O-])CC(=O)N=[S@@](C)(=O)N(C)C ZINC001594011184 956996181 /nfs/dbraw/zinc/99/61/81/956996181.db2.gz PWKABWWOZHTGMV-HXUWFJFHSA-N -1 0 309.388 -0.490 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001589256911 957005224 /nfs/dbraw/zinc/00/52/24/957005224.db2.gz OLGJRLDLEMPSBJ-SECBINFHSA-N -1 0 301.324 -0.403 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589259062 957024149 /nfs/dbraw/zinc/02/41/49/957024149.db2.gz NPNAYNMCDCECJI-VIFPVBQESA-N -1 0 307.306 -0.764 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)C1 ZINC001594730997 957039131 /nfs/dbraw/zinc/03/91/31/957039131.db2.gz IUAKZYOTAZGZAO-HBNTYKKESA-N -1 0 323.349 -0.811 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc(C(=O)[O-])nn1C ZINC001589261954 957041001 /nfs/dbraw/zinc/04/10/01/957041001.db2.gz ITCDTSIZUWZXDD-HTQZYQBOSA-N -1 0 315.351 -0.234 20 0 DBADRM COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](OC)C(=O)[O-] ZINC001594016290 957041034 /nfs/dbraw/zinc/04/10/34/957041034.db2.gz YGDAIDXNASYLBN-VHSXEESVSA-N -1 0 304.343 -0.621 20 0 DBADRM COCCOCCCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001594017261 957042485 /nfs/dbraw/zinc/04/24/85/957042485.db2.gz BZTXTGPEKUWKAC-LLVKDONJSA-N -1 0 316.354 -0.521 20 0 DBADRM COCCOCCN(C)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001594017516 957046221 /nfs/dbraw/zinc/04/62/21/957046221.db2.gz OYDQUFDWHZOJRN-CQSZACIVSA-N -1 0 316.354 -0.569 20 0 DBADRM COCCOC1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001594017776 957048648 /nfs/dbraw/zinc/04/86/48/957048648.db2.gz CFEYERAMWWMQKS-UHFFFAOYSA-N -1 0 309.384 -0.387 20 0 DBADRM COCCO[C@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594018063 957050952 /nfs/dbraw/zinc/05/09/52/957050952.db2.gz LJHNALZLKMEINW-ONGXEEELSA-N -1 0 300.311 -0.130 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCn3nccc32)C1 ZINC001594732588 957052432 /nfs/dbraw/zinc/05/24/32/957052432.db2.gz RLFZEWLMUYJULK-VHSXEESVSA-N -1 0 306.322 -0.233 20 0 DBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@](C)(OC)C(=O)[O-])C1 ZINC001594018416 957054559 /nfs/dbraw/zinc/05/45/59/957054559.db2.gz DJBUAEMNDBEINO-GYSYKLTISA-N -1 0 319.354 -0.652 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)C1 ZINC001594734685 957059201 /nfs/dbraw/zinc/05/92/01/957059201.db2.gz INLJURYGLPTEEQ-QJPTWQEYSA-N -1 0 310.350 -0.007 20 0 DBADRM COCCO[C@H]1COCC[C@H]1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594018640 957059680 /nfs/dbraw/zinc/05/96/80/957059680.db2.gz WYOBERIYLUQRTH-KXNHARMFSA-N -1 0 316.354 -0.031 20 0 DBADRM COCCO[C@H]1C[C@@H](CO)CN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C1 ZINC001594018935 957063724 /nfs/dbraw/zinc/06/37/24/957063724.db2.gz OQXKQSVTSRCWTQ-XQHKEYJVSA-N -1 0 315.366 -0.030 20 0 DBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C1 ZINC001594019214 957069673 /nfs/dbraw/zinc/06/96/73/957069673.db2.gz VBJWEMTVVVAJRF-ZAZJYDDPSA-N -1 0 315.366 -0.030 20 0 DBADRM CC(C)n1[nH]cnc1=NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589265131 957074355 /nfs/dbraw/zinc/07/43/55/957074355.db2.gz BTTMGTFVKJDETR-ZJUUUORDSA-N -1 0 323.353 -0.211 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)N(CCO)C1CCC1)C1CCC1 ZINC001594737271 957083593 /nfs/dbraw/zinc/08/35/93/957083593.db2.gz QMFRLUMEPRWIEU-GFCCVEGCSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C(CN1CCCC[C@@H]1C(=O)[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC000035298235 957202719 /nfs/dbraw/zinc/20/27/19/957202719.db2.gz VAGYZUUYKBZUGD-NXEZZACHSA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc(Br)c[nH]1 ZINC000035384278 957207853 /nfs/dbraw/zinc/20/78/53/957207853.db2.gz RLRSBQMWZZFPNQ-UHFFFAOYSA-N -1 0 304.100 -0.292 20 0 DBADRM CC(=O)NCCNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000036746363 957232964 /nfs/dbraw/zinc/23/29/64/957232964.db2.gz NDCBJJJYUYMYTG-UHFFFAOYSA-N -1 0 300.336 -0.060 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)c(CC(=O)[O-])c1 ZINC000036889185 957243513 /nfs/dbraw/zinc/24/35/13/957243513.db2.gz BKLOWBWWRXZBJZ-ZETCQYMHSA-N -1 0 316.335 -0.526 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000037225728 957266304 /nfs/dbraw/zinc/26/63/04/957266304.db2.gz COKLWRHIGIKXCB-MRVPVSSYSA-N -1 0 321.282 -0.664 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000037270989 957268460 /nfs/dbraw/zinc/26/84/60/957268460.db2.gz CLWVLEUZXRBJKY-UHFFFAOYSA-N -1 0 300.336 -0.108 20 0 DBADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000037585106 957309763 /nfs/dbraw/zinc/30/97/63/957309763.db2.gz BDPYWZILTDLLDW-UHFFFAOYSA-N -1 0 317.367 -0.002 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000037589810 957310619 /nfs/dbraw/zinc/31/06/19/957310619.db2.gz FBRMJOCIEXTWMD-MRVPVSSYSA-N -1 0 317.367 -0.002 20 0 DBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCCCC(=O)[O-])C1 ZINC000037835016 957332611 /nfs/dbraw/zinc/33/26/11/957332611.db2.gz VHCZFVJCXFDARN-JTQLQIEISA-N -1 0 321.399 -0.337 20 0 DBADRM CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037837028 957333136 /nfs/dbraw/zinc/33/31/36/957333136.db2.gz POKAHKWVGBEPKW-MRVPVSSYSA-N -1 0 316.339 -0.603 20 0 DBADRM CCN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1ccccc1 ZINC000038015427 957341425 /nfs/dbraw/zinc/34/14/25/957341425.db2.gz BQSFLJAVOKHJJA-UHFFFAOYSA-N -1 0 300.336 -0.102 20 0 DBADRM CC[C@H](C)NC(=O)CCNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000038014014 957341686 /nfs/dbraw/zinc/34/16/86/957341686.db2.gz ZVAUIXBKEMWKSE-ZETCQYMHSA-N -1 0 318.355 -0.309 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C(C)C ZINC000040219149 957360354 /nfs/dbraw/zinc/36/03/54/957360354.db2.gz UEUWHKDUOVYMQL-SSDOTTSWSA-N -1 0 305.312 -0.416 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC(C)(C)C(=O)[O-])C1 ZINC000040910478 957380965 /nfs/dbraw/zinc/38/09/65/957380965.db2.gz UYKHUMWZHDZCKB-SECBINFHSA-N -1 0 322.383 -0.041 20 0 DBADRM NS(=O)(=O)c1cccc(CNC(=O)COCC(=O)[O-])c1 ZINC000041072689 957385029 /nfs/dbraw/zinc/38/50/29/957385029.db2.gz SGUUFBRZXUPXRE-UHFFFAOYSA-N -1 0 302.308 -0.949 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)c2ccc(-n3cncn3)nc2)CCO1 ZINC000390115146 972265855 /nfs/dbraw/zinc/26/58/55/972265855.db2.gz VQKHXDRQLASCEI-NSHDSACASA-N -1 0 317.305 -0.022 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)N[C@]2(C(=O)[O-])CCSC2)C1 ZINC000043508952 957433432 /nfs/dbraw/zinc/43/34/32/957433432.db2.gz CWMXEUKLCBSXMQ-PRHODGIISA-N -1 0 301.368 -0.146 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000043511224 957434113 /nfs/dbraw/zinc/43/41/13/957434113.db2.gz FUUWWESEISDDCG-SNVBAGLBSA-N -1 0 311.381 -0.181 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCN1CCCCC1 ZINC000049575199 957478870 /nfs/dbraw/zinc/47/88/70/957478870.db2.gz LNNGSPXQQHAORP-UHFFFAOYSA-N -1 0 302.356 -0.128 20 0 DBADRM CCN(CCC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000050351162 957490425 /nfs/dbraw/zinc/49/04/25/957490425.db2.gz BGFDBCOUIAWVBA-UHFFFAOYSA-N -1 0 313.397 -0.310 20 0 DBADRM NC(=O)CCS(=O)(=O)CCN1CCC(CCC(=O)[O-])CC1 ZINC000050926011 957501292 /nfs/dbraw/zinc/50/12/92/957501292.db2.gz YQMOOBRYNJVOLN-UHFFFAOYSA-N -1 0 320.411 -0.147 20 0 DBADRM COCC[C@H](NC(=O)[C@H](CCSC)NC(N)=O)C(=O)[O-] ZINC000052784730 957512088 /nfs/dbraw/zinc/51/20/88/957512088.db2.gz VMSJSKOUSLUYQG-YUMQZZPRSA-N -1 0 307.372 -0.618 20 0 DBADRM C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485361824 1013156708 /nfs/dbraw/zinc/15/67/08/1013156708.db2.gz NHONPHFUUGCRTB-RKDXNWHRSA-N -1 0 310.358 -0.885 20 0 DBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)(C)C(=O)[O-] ZINC000061177645 957578235 /nfs/dbraw/zinc/57/82/35/957578235.db2.gz WLQDVDYHJASIPQ-SECBINFHSA-N -1 0 306.384 -0.525 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000062936507 957628964 /nfs/dbraw/zinc/62/89/64/957628964.db2.gz VXLDVLWWJGVVOK-BXKDBHETSA-N -1 0 304.368 -0.914 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000390386648 972280450 /nfs/dbraw/zinc/28/04/50/972280450.db2.gz ZSGDTQXHRXVUKT-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM CC(=O)N[C@@H](CSCC(=O)NC[C@H]1CCCO1)C(=O)[O-] ZINC000069555941 957654112 /nfs/dbraw/zinc/65/41/12/957654112.db2.gz YEXHYIZQABPFQZ-ZJUUUORDSA-N -1 0 304.368 -0.396 20 0 DBADRM CS(=O)(=O)CC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000070127564 957661524 /nfs/dbraw/zinc/66/15/24/957661524.db2.gz SNHGNTIJNAFNCR-UHFFFAOYSA-N -1 0 314.319 -0.516 20 0 DBADRM COCCn1c([C@@H](O)COC)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001594022610 957676566 /nfs/dbraw/zinc/67/65/66/957676566.db2.gz LJXHMZYMXUPENS-ZJUUUORDSA-N -1 0 314.342 -0.485 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001594271950 957682846 /nfs/dbraw/zinc/68/28/46/957682846.db2.gz PYEWIELZBZXEMV-VIFPVBQESA-N -1 0 309.322 -0.189 20 0 DBADRM O=C([O-])Cn1cc(C(=O)Nc2ccc3c(c2)CCNC3=O)nn1 ZINC001574742975 957691642 /nfs/dbraw/zinc/69/16/42/957691642.db2.gz IYCWSSNYTAMLFV-UHFFFAOYSA-N -1 0 315.289 -0.099 20 0 DBADRM O=C([O-])Cn1cc(C(=O)Nc2cnc3c(c2)CNC3=O)nn1 ZINC001574743242 957692826 /nfs/dbraw/zinc/69/28/26/957692826.db2.gz MWJVWPGCNLKOEO-UHFFFAOYSA-N -1 0 302.250 -0.747 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCCCN2CCCCC2=O)nn1 ZINC001574743327 957694287 /nfs/dbraw/zinc/69/42/87/957694287.db2.gz PMEKZCROSARSHI-UHFFFAOYSA-N -1 0 309.326 -0.505 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@@H]2COC3(CCCC3)O2)nn1 ZINC001574743371 957695149 /nfs/dbraw/zinc/69/51/49/957695149.db2.gz QBCALXUDWOWVSZ-SECBINFHSA-N -1 0 310.310 -0.222 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCc2ccn3ccnc3c2)nn1 ZINC001574744072 957698859 /nfs/dbraw/zinc/69/88/59/957698859.db2.gz ZMTQMRAOYYKIFH-UHFFFAOYSA-N -1 0 300.278 -0.060 20 0 DBADRM COC[C@@H](O)CNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000071271647 957715450 /nfs/dbraw/zinc/71/54/50/957715450.db2.gz MACSEFFKCRYCOT-VIFPVBQESA-N -1 0 303.336 -0.021 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000071271383 957715996 /nfs/dbraw/zinc/71/59/96/957715996.db2.gz CGTWNBSZUNMCBX-SECBINFHSA-N -1 0 303.336 -0.021 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001594025770 957719547 /nfs/dbraw/zinc/71/95/47/957719547.db2.gz AMUCJQXNEOTHKD-VHSXEESVSA-N -1 0 322.317 -0.069 20 0 DBADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)ncc1C(N)=O ZINC001594276248 957720911 /nfs/dbraw/zinc/72/09/11/957720911.db2.gz WXGFOKSASIRXAV-NSHDSACASA-N -1 0 317.305 -0.222 20 0 DBADRM COC(=O)C[C@H](NC(=O)CNC(=O)c1cccs1)C(=O)[O-] ZINC000071337343 957721894 /nfs/dbraw/zinc/72/18/94/957721894.db2.gz KQEOLYOVSKZAEB-ZETCQYMHSA-N -1 0 314.319 -0.390 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@@H](O)C1CCOCC1 ZINC001574754485 957730412 /nfs/dbraw/zinc/73/04/12/957730412.db2.gz QPJCSQWZZUUVKI-WDEREUQCSA-N -1 0 322.383 -0.843 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)n(C)n1 ZINC001594279721 957733389 /nfs/dbraw/zinc/73/33/89/957733389.db2.gz NCUFIJGKGMKJTD-JTQLQIEISA-N -1 0 308.338 -0.076 20 0 DBADRM COCc1ncc2c(n1)CCN(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)C2 ZINC001594032407 957771462 /nfs/dbraw/zinc/77/14/62/957771462.db2.gz BPVBBXMURWAYAI-NSHDSACASA-N -1 0 320.305 -0.263 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)CC2 ZINC001594032455 957771774 /nfs/dbraw/zinc/77/17/74/957771774.db2.gz FITMRBGAQHSVEJ-ITMYJUKJSA-N -1 0 308.338 -0.034 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)CC2 ZINC001594033853 957787784 /nfs/dbraw/zinc/78/77/84/957787784.db2.gz YYSUWKDVYQTFNY-OPRDCNLKSA-N -1 0 323.353 -0.098 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)CC2 ZINC001594033852 957787834 /nfs/dbraw/zinc/78/78/34/957787834.db2.gz YYSUWKDVYQTFNY-GUBZILKMSA-N -1 0 323.353 -0.098 20 0 DBADRM CON(C(=O)CCN1C(=O)CCNC1=S)[C@@H](C)C(=O)[O-] ZINC001594036688 957819814 /nfs/dbraw/zinc/81/98/14/957819814.db2.gz SMRJSWQVFMTKMG-ZETCQYMHSA-N -1 0 303.340 -0.654 20 0 DBADRM CON(C(=O)c1ccc(S(N)(=O)=O)cc1F)[C@H](C)C(=O)[O-] ZINC001594039305 957847629 /nfs/dbraw/zinc/84/76/29/957847629.db2.gz MBCCAAAIQIOIGY-ZCFIWIBFSA-N -1 0 320.298 -0.050 20 0 DBADRM CO[C@@H]1CCN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001594042805 957895233 /nfs/dbraw/zinc/89/52/33/957895233.db2.gz IKPDVFJCZZKZLX-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM CON1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC001594043786 957903567 /nfs/dbraw/zinc/90/35/67/957903567.db2.gz LWOWZNJEFJGZQU-GXSJLCMTSA-N -1 0 313.354 -0.502 20 0 DBADRM CON1CCC(N(C)C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001594043965 957904733 /nfs/dbraw/zinc/90/47/33/957904733.db2.gz PVCIWPVGCPHQPV-SNVBAGLBSA-N -1 0 313.354 -0.596 20 0 DBADRM Cc1cc(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])on1 ZINC001594300918 957908283 /nfs/dbraw/zinc/90/82/83/957908283.db2.gz ZTVBQXAPNXJUCQ-VIFPVBQESA-N -1 0 302.308 -0.764 20 0 DBADRM CO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001594045540 957915807 /nfs/dbraw/zinc/91/58/07/957915807.db2.gz JZCQNYCJXUZCRB-DTORHVGOSA-N -1 0 310.310 -0.458 20 0 DBADRM COc1c(F)cc(CC(=O)OCC(=O)[O-])cc1S(N)(=O)=O ZINC001594046592 957935559 /nfs/dbraw/zinc/93/55/59/957935559.db2.gz WCJJRYBCQSUOPF-UHFFFAOYSA-N -1 0 321.282 -0.348 20 0 DBADRM O=C([O-])c1cccc(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)c1 ZINC001574826302 957940176 /nfs/dbraw/zinc/94/01/76/957940176.db2.gz UYBXALSTIIFIGG-VIFPVBQESA-N -1 0 312.303 -0.764 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001574827194 957946354 /nfs/dbraw/zinc/94/63/54/957946354.db2.gz KUFJDQABANVOJQ-VXNVDRBHSA-N -1 0 309.282 -0.924 20 0 DBADRM O=C([O-])C1CCC(NC(=O)N2CC3(C2)NC(=O)NC3=O)CC1 ZINC001574827369 957947710 /nfs/dbraw/zinc/94/77/10/957947710.db2.gz NCYQOYFURQXUAS-UHFFFAOYSA-N -1 0 310.310 -0.767 20 0 DBADRM COc1c(F)cccc1S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC001594048844 957959424 /nfs/dbraw/zinc/95/94/24/957959424.db2.gz UXIRJNNVZYNRDL-NSHDSACASA-N -1 0 307.299 -0.052 20 0 DBADRM Cc1cc(C)nc(N2CCN(C(=O)COCC(=O)[O-])CC2)n1 ZINC001594306108 957969230 /nfs/dbraw/zinc/96/92/30/957969230.db2.gz ZFQURYRIDHHBTM-UHFFFAOYSA-N -1 0 308.338 -0.157 20 0 DBADRM Cc1cc(CS(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)no1 ZINC001594306847 957977042 /nfs/dbraw/zinc/97/70/42/957977042.db2.gz WYGZFJIQXAJTJI-CABZTGNLSA-N -1 0 316.335 -0.154 20 0 DBADRM Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001594308741 957992214 /nfs/dbraw/zinc/99/22/14/957992214.db2.gz APMTUEHRTPCYKF-LBPRGKRZSA-N -1 0 315.713 -0.066 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)cn(C)c1=O ZINC001594313278 958048422 /nfs/dbraw/zinc/04/84/22/958048422.db2.gz DJTUXGDBPZYRBR-JTQLQIEISA-N -1 0 321.333 -0.045 20 0 DBADRM COc1cc(C)ccc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001594057852 958055012 /nfs/dbraw/zinc/05/50/12/958055012.db2.gz QIOHVVKVKFGZFX-AWEZNQCLSA-N -1 0 310.306 -0.106 20 0 DBADRM CC(=O)N1CCC(NS(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000088768961 958067764 /nfs/dbraw/zinc/06/77/64/958067764.db2.gz QTIPMADCTBBJFY-UHFFFAOYSA-N -1 0 307.372 -0.762 20 0 DBADRM COC(=O)[C@H](CC(C)C)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000088768758 958067945 /nfs/dbraw/zinc/06/79/45/958067945.db2.gz IBWOKDRJYISYOU-VIFPVBQESA-N -1 0 310.372 -0.185 20 0 DBADRM CN(CCCCO)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001347149665 958073628 /nfs/dbraw/zinc/07/36/28/958073628.db2.gz RYHUBUPFPIHADX-UHFFFAOYSA-N -1 0 300.355 -0.069 20 0 DBADRM O=C([O-])c1csc(S(=O)(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000089754916 958088160 /nfs/dbraw/zinc/08/81/60/958088160.db2.gz LIZUOPYWEGWPRE-ZCFIWIBFSA-N -1 0 318.332 -0.470 20 0 DBADRM CN1C(=O)CC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O ZINC000090024204 958088276 /nfs/dbraw/zinc/08/82/76/958088276.db2.gz HNYAKMQHTYURFM-LURJTMIESA-N -1 0 316.291 -0.597 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)ncn1 ZINC001594062328 958100770 /nfs/dbraw/zinc/10/07/70/958100770.db2.gz UARNSULVEWYIRJ-UHFFFAOYSA-N -1 0 308.294 -0.253 20 0 DBADRM CCOC(=O)CN1CCCN(C(=O)[C@](C)(OC)C(=O)[O-])CC1 ZINC001350420943 958105889 /nfs/dbraw/zinc/10/58/89/958105889.db2.gz CCSOMHDHEPFNBV-AWEZNQCLSA-N -1 0 316.354 -0.427 20 0 DBADRM CN(C)C(=O)N1CCC(C(=O)NC[C@](C)(O)C(=O)[O-])CC1 ZINC000090275372 958107120 /nfs/dbraw/zinc/10/71/20/958107120.db2.gz FYFUZEBOINPBOE-ZDUSSCGKSA-N -1 0 301.343 -0.668 20 0 DBADRM COc1cc(NC(=O)[C@@H](OC)C(=O)[O-])c(C(N)=O)cc1OC ZINC001594062766 958107907 /nfs/dbraw/zinc/10/79/07/958107907.db2.gz CGVJWHMDPFMGGI-SNVBAGLBSA-N -1 0 312.278 -0.159 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000091131034 958124796 /nfs/dbraw/zinc/12/47/96/958124796.db2.gz BWVRZRTWPPFJLR-SECBINFHSA-N -1 0 322.408 -0.271 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)N2CCS(=O)(=O)CC2)CCO1 ZINC000091296115 958134524 /nfs/dbraw/zinc/13/45/24/958134524.db2.gz TWXXLRCUHMCHMZ-VIFPVBQESA-N -1 0 306.340 -0.988 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114138 958156240 /nfs/dbraw/zinc/15/62/40/958156240.db2.gz REDKPGAOIXMEGQ-QMMMGPOBSA-N -1 0 321.282 -0.664 20 0 DBADRM Cc1nonc1CC(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485370400 1013168183 /nfs/dbraw/zinc/16/81/83/1013168183.db2.gz GOPNBVMQSSSCAE-ZETCQYMHSA-N -1 0 309.330 -0.619 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000092917552 958182298 /nfs/dbraw/zinc/18/22/98/958182298.db2.gz VATYNEYAGDHXPJ-GXSJLCMTSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000092948588 958230709 /nfs/dbraw/zinc/23/07/09/958230709.db2.gz FLQYTLAZTUKIBA-DTWKUNHWSA-N -1 0 321.399 -0.181 20 0 DBADRM Cc1cc2n[nH]cc2cc1S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC001594331603 958230777 /nfs/dbraw/zinc/23/07/77/958230777.db2.gz RNBAUIBPSYDMRQ-LBPRGKRZSA-N -1 0 313.335 -0.015 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000092948590 958231412 /nfs/dbraw/zinc/23/14/12/958231412.db2.gz FLQYTLAZTUKIBA-BDAKNGLRSA-N -1 0 321.399 -0.181 20 0 DBADRM NC(=O)c1cccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1 ZINC001549225152 958258039 /nfs/dbraw/zinc/25/80/39/958258039.db2.gz SFYYZTSPJLENHB-NHYWBVRUSA-N -1 0 304.302 -0.041 20 0 DBADRM CC[C@](C)(NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000094221005 958267523 /nfs/dbraw/zinc/26/75/23/958267523.db2.gz YRLHVJFKVXGDCD-NSHDSACASA-N -1 0 303.340 -0.344 20 0 DBADRM C[C@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)c1ncn(C)n1 ZINC001552402900 958315101 /nfs/dbraw/zinc/31/51/01/958315101.db2.gz LYLDYSUIBBRFIW-RVBZMBCESA-N -1 0 309.326 -0.381 20 0 DBADRM CCn1nncc1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552654287 958318646 /nfs/dbraw/zinc/31/86/46/958318646.db2.gz DCWYTUKGLQGDSW-ZANVPECISA-N -1 0 309.326 -0.459 20 0 DBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC000095017721 958332604 /nfs/dbraw/zinc/33/26/04/958332604.db2.gz DYXHKZUAESPMCH-SSDOTTSWSA-N -1 0 317.323 -0.400 20 0 DBADRM CCN1C[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1=O ZINC000391469070 972339626 /nfs/dbraw/zinc/33/96/26/972339626.db2.gz KWTBECWKSOXQTH-LURJTMIESA-N -1 0 302.312 -0.993 20 0 DBADRM Cc1ccc(Cn2nnnc2N(C)C[C@H](C)C(=O)[O-])c(=O)n1C ZINC001594366142 958490696 /nfs/dbraw/zinc/49/06/96/958490696.db2.gz ICZTXOQTOSODTK-VIFPVBQESA-N -1 0 320.353 -0.115 20 0 DBADRM COc1ccc(S(=O)(=O)N(C)C(=O)[C@H](OC)C(=O)[O-])cc1 ZINC001594111023 958502872 /nfs/dbraw/zinc/50/28/72/958502872.db2.gz CGFGAPYANVGTFT-JTQLQIEISA-N -1 0 317.319 -0.058 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1cncc(O)c1 ZINC000125929799 958572887 /nfs/dbraw/zinc/57/28/87/958572887.db2.gz SJBNHMQVTXESMF-VIFPVBQESA-N -1 0 314.319 -0.499 20 0 DBADRM Cn1nccc1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000125949269 958573721 /nfs/dbraw/zinc/57/37/21/958573721.db2.gz AJNCLHUQUHBLDH-QMMMGPOBSA-N -1 0 301.324 -0.866 20 0 DBADRM Cn1nccc1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000125949492 958575851 /nfs/dbraw/zinc/57/58/51/958575851.db2.gz AJNCLHUQUHBLDH-MRVPVSSYSA-N -1 0 301.324 -0.866 20 0 DBADRM CCN(CC)C(=O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000126323324 958585330 /nfs/dbraw/zinc/58/53/30/958585330.db2.gz HNGYQUXSRZRSES-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000129383684 958703298 /nfs/dbraw/zinc/70/32/98/958703298.db2.gz VBYKKPIPWPGOJY-VHSXEESVSA-N -1 0 305.352 -0.487 20 0 DBADRM CC(C)(C)NC(=O)NC(=O)CN1CCOC[C@H]1CC(=O)[O-] ZINC000129949730 958724430 /nfs/dbraw/zinc/72/44/30/958724430.db2.gz KUQHIICWQGXRFF-SECBINFHSA-N -1 0 301.343 -0.214 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CCNC(=O)CC1 ZINC000134707497 958857908 /nfs/dbraw/zinc/85/79/08/958857908.db2.gz LPBOFTVYKCCZLO-UHFFFAOYSA-N -1 0 305.337 -0.648 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000160149385 959139998 /nfs/dbraw/zinc/13/99/98/959139998.db2.gz SAYGDFHOUCLOHM-NXEZZACHSA-N -1 0 319.383 -0.762 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCCS1(=O)=O ZINC000167861419 959363132 /nfs/dbraw/zinc/36/31/32/959363132.db2.gz RDXXROXSTYZOOB-UWVGGRQHSA-N -1 0 315.351 -0.511 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000167921964 959364788 /nfs/dbraw/zinc/36/47/88/959364788.db2.gz IRWZOZHZMDNHRV-YUMQZZPRSA-N -1 0 307.324 -0.914 20 0 DBADRM O=C([O-])[C@H]1CSCCN1C(=O)[C@@H]1CCCCS1(=O)=O ZINC000167998742 959370100 /nfs/dbraw/zinc/37/01/00/959370100.db2.gz NUMZAOXXJFYESZ-BDAKNGLRSA-N -1 0 307.393 -0.018 20 0 DBADRM C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000168759502 959388800 /nfs/dbraw/zinc/38/88/00/959388800.db2.gz RTLJXWFECACTDB-VIIUKITBSA-N -1 0 309.369 -0.987 20 0 DBADRM C[C@@H](C[S@](C)=O)NS(=O)(=O)c1scnc1C(=O)[O-] ZINC000168779264 959393266 /nfs/dbraw/zinc/39/32/66/959393266.db2.gz KIHRDHFSAFXJIP-IEMIWKFJSA-N -1 0 312.394 -0.113 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCN1CC=CCC1 ZINC000392246914 972433498 /nfs/dbraw/zinc/43/34/98/972433498.db2.gz FDQQYANQXPWQRJ-UHFFFAOYSA-N -1 0 300.340 -0.352 20 0 DBADRM CN1CCN(C(=O)NCCc2ncc(C(=O)[O-])s2)CC1=O ZINC001598609415 1017343023 /nfs/dbraw/zinc/34/30/23/1017343023.db2.gz KRUDBFCSCUBFJJ-UHFFFAOYSA-N -1 0 312.351 -0.133 20 0 DBADRM O=C([O-])c1ccc(NC(=O)CN2CCC(=O)NC2=O)cc1O ZINC000209315614 959673868 /nfs/dbraw/zinc/67/38/68/959673868.db2.gz OZKUNGZMSIIRHG-UHFFFAOYSA-N -1 0 307.262 -0.029 20 0 DBADRM CN(C(=O)N1CCSC[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000215093701 959746445 /nfs/dbraw/zinc/74/64/45/959746445.db2.gz BLFGJQZIGUGYEB-DTWKUNHWSA-N -1 0 322.408 -0.273 20 0 DBADRM CN(C(=O)N1CCSC[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000215093656 959747201 /nfs/dbraw/zinc/74/72/01/959747201.db2.gz BLFGJQZIGUGYEB-RKDXNWHRSA-N -1 0 322.408 -0.273 20 0 DBADRM CCC[C@H](C)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001485400265 1013193087 /nfs/dbraw/zinc/19/30/87/1013193087.db2.gz CWGNCYHHTORMGL-JTQLQIEISA-N -1 0 311.386 -0.001 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000222480779 959818003 /nfs/dbraw/zinc/81/80/03/959818003.db2.gz CKPUXYPTWLASTI-ZJUUUORDSA-N -1 0 320.367 -0.841 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCCNC(=O)NC1CCCCC1 ZINC000222973072 959831722 /nfs/dbraw/zinc/83/17/22/959831722.db2.gz MIFHUZQUVFANFL-LLVKDONJSA-N -1 0 315.370 -0.040 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCCNC(=O)NC1CCCCC1 ZINC000222973018 959832559 /nfs/dbraw/zinc/83/25/59/959832559.db2.gz MIFHUZQUVFANFL-NSHDSACASA-N -1 0 315.370 -0.040 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000223736429 959839836 /nfs/dbraw/zinc/83/98/36/959839836.db2.gz NROXHRDMVWMCOI-SECBINFHSA-N -1 0 319.335 -0.321 20 0 DBADRM Cc1csc(C(=O)[O-])c1S(=O)(=O)N1CCNC(=O)C1 ZINC000226462436 959879456 /nfs/dbraw/zinc/87/94/56/959879456.db2.gz DWUOWMVTKRREBF-UHFFFAOYSA-N -1 0 304.349 -0.125 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000227116388 959922884 /nfs/dbraw/zinc/92/28/84/959922884.db2.gz WJCQPWSXIOTKMR-RDDDGLTNSA-N -1 0 305.308 -0.204 20 0 DBADRM O=C([O-])c1ccc(F)cc1S(=O)(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC000227254368 959939397 /nfs/dbraw/zinc/93/93/97/959939397.db2.gz LSLKAOYWQFEOTE-DTORHVGOSA-N -1 0 305.283 -0.750 20 0 DBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)c1C ZINC000227254768 959940717 /nfs/dbraw/zinc/94/07/17/959940717.db2.gz TWZCLJQAXFSUOE-PHIMTYICSA-N -1 0 315.347 -0.272 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@H]2CC[C@@H](O)C2)CC1 ZINC000227547191 959953105 /nfs/dbraw/zinc/95/31/05/959953105.db2.gz JCUIBMXIZWDJEO-GXSJLCMTSA-N -1 0 306.384 -0.222 20 0 DBADRM COC[C@H](CCO)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000228224188 960003917 /nfs/dbraw/zinc/00/39/17/960003917.db2.gz RIWNXDGQILFVHU-NSHDSACASA-N -1 0 317.363 -0.011 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CNC(=O)C2)c(F)c1 ZINC000229019543 960051841 /nfs/dbraw/zinc/05/18/41/960051841.db2.gz KMPDGLGTLBOZBD-SSDOTTSWSA-N -1 0 302.283 -0.309 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000229029976 960054155 /nfs/dbraw/zinc/05/41/55/960054155.db2.gz AVBFSJWETOKGCD-JTQLQIEISA-N -1 0 303.336 -0.021 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000229030999 960053943 /nfs/dbraw/zinc/05/39/43/960053943.db2.gz PKQURYHHMCAURM-MRVPVSSYSA-N -1 0 307.299 -0.191 20 0 DBADRM NC(=O)CCCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000230040402 960110305 /nfs/dbraw/zinc/11/03/05/960110305.db2.gz BGBXIXKJCYYOLR-UHFFFAOYSA-N -1 0 307.372 -0.727 20 0 DBADRM COC[C@@H](O)CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000230131673 960128801 /nfs/dbraw/zinc/12/88/01/960128801.db2.gz DDGWFZOVJMURAD-JTQLQIEISA-N -1 0 310.372 -0.985 20 0 DBADRM COCC[C@](C)(O)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000230222736 960131933 /nfs/dbraw/zinc/13/19/33/960131933.db2.gz HVODISVFIMCSCO-LBPRGKRZSA-N -1 0 324.399 -0.595 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000231021805 960178319 /nfs/dbraw/zinc/17/83/19/960178319.db2.gz NBDXFCFMSZKRRR-LBPRGKRZSA-N -1 0 321.399 -0.226 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](Cn2cc(CC(=O)[O-])nn2)C1 ZINC000231078264 960191027 /nfs/dbraw/zinc/19/10/27/960191027.db2.gz RAWCWQHHCXYDJI-VIFPVBQESA-N -1 0 302.356 -0.423 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000231840801 960210946 /nfs/dbraw/zinc/21/09/46/960210946.db2.gz WWEIWJCWXKMHKZ-MRVPVSSYSA-N -1 0 318.355 -0.887 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)Cc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000232451871 960275727 /nfs/dbraw/zinc/27/57/27/960275727.db2.gz GOFLGBQCIMKTOX-WIUDPPPLSA-N -1 0 312.347 -0.377 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)Cc1nc(C)cs1)C(=O)[O-] ZINC000232576257 960283474 /nfs/dbraw/zinc/28/34/74/960283474.db2.gz CEQFUKQXYKHJTH-QMMMGPOBSA-N -1 0 306.365 -0.044 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@@H]1OC ZINC000234917427 960376542 /nfs/dbraw/zinc/37/65/42/960376542.db2.gz LEHIWGANGVKZNB-AOOOYVTPSA-N -1 0 319.339 -0.998 20 0 DBADRM COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)cc1C(=O)[O-] ZINC000234964065 960379630 /nfs/dbraw/zinc/37/96/30/960379630.db2.gz IAUKCWOSWCKJDS-UWVGGRQHSA-N -1 0 317.319 -0.881 20 0 DBADRM C[C@@]1(C(N)=O)CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000235388808 960425266 /nfs/dbraw/zinc/42/52/66/960425266.db2.gz XDLKNVYSPIGAHN-LLVKDONJSA-N -1 0 302.308 -0.136 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])s1 ZINC000235969056 960539970 /nfs/dbraw/zinc/53/99/70/960539970.db2.gz MKQRCWQNILUOIS-ZETCQYMHSA-N -1 0 319.364 -0.585 20 0 DBADRM CC(C)[C@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001571074314 960933177 /nfs/dbraw/zinc/93/31/77/960933177.db2.gz GAQQFTBUYCXHMX-VIFPVBQESA-N -1 0 301.324 -0.432 20 0 DBADRM O=C([O-])[C@]1(NC(=O)C2CC3(C2)CS(=O)(=O)C3)CCOC1 ZINC001571079269 960975339 /nfs/dbraw/zinc/97/53/39/960975339.db2.gz CLRVCVUNKNFWDY-LBPRGKRZSA-N -1 0 303.336 -0.829 20 0 DBADRM O=C(Cc1ccco1)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001485420210 1013217449 /nfs/dbraw/zinc/21/74/49/1013217449.db2.gz ICZWMYLQHZVLPH-UHFFFAOYSA-N -1 0 321.337 -0.601 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)nc1 ZINC001571083913 961025178 /nfs/dbraw/zinc/02/51/78/961025178.db2.gz BULYCPNCQPYXOY-SECBINFHSA-N -1 0 305.290 -0.897 20 0 DBADRM CC1=NO[C@@](C)(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1 ZINC001571084650 961035377 /nfs/dbraw/zinc/03/53/77/961035377.db2.gz FAFXIFSZMCPAPW-LDYMZIIASA-N -1 0 304.324 -0.749 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C[C@@H](O)COc1ccccc1 ZINC000247355293 961193249 /nfs/dbraw/zinc/19/32/49/961193249.db2.gz CXQOEBGLFPIPPM-DGCLKSJQSA-N -1 0 308.334 -0.299 20 0 DBADRM CCCCNC(=O)[C@@H](C)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000249813431 961204907 /nfs/dbraw/zinc/20/49/07/961204907.db2.gz DJKLYJRKQWHABJ-GHMZBOCLSA-N -1 0 320.411 -0.135 20 0 DBADRM CC[C@H](C)NC(=O)[C@H](C)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000251945983 961263629 /nfs/dbraw/zinc/26/36/29/961263629.db2.gz SZWMKMTUXWNBST-GARJFASQSA-N -1 0 320.411 -0.137 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000252602489 961278511 /nfs/dbraw/zinc/27/85/11/961278511.db2.gz NDXIRWAOOIGCNQ-BBBLOLIVSA-N -1 0 304.368 -0.074 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)c2cnn3ccccc23)CCOC1 ZINC001571111817 961338878 /nfs/dbraw/zinc/33/88/78/961338878.db2.gz SAYGKJBGSKJOQA-LBPRGKRZSA-N -1 0 311.319 -0.144 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@]1(F)CCS(=O)(=O)C1)C(=O)[O-] ZINC001574472305 961606007 /nfs/dbraw/zinc/60/60/07/961606007.db2.gz MEUUEMLBWGBBGV-KCJUWKMLSA-N -1 0 319.314 -0.811 20 0 DBADRM Cn1nccc1[C@H](NC(=O)C1=CS(=O)(=O)CCC1)C(=O)[O-] ZINC001574472568 961609875 /nfs/dbraw/zinc/60/98/75/961609875.db2.gz NVOLNQAASIKUDT-JTQLQIEISA-N -1 0 313.335 -0.246 20 0 DBADRM C[C@H]1CN(C(=O)CCN2CCCS2(=O)=O)CC[C@H]1C(=O)[O-] ZINC001571137642 961618481 /nfs/dbraw/zinc/61/84/81/961618481.db2.gz JZXNKAYMJXARKV-WDEREUQCSA-N -1 0 318.395 -0.019 20 0 DBADRM CC(C)(NC(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1)C(=O)[O-] ZINC001571143083 961687526 /nfs/dbraw/zinc/68/75/26/961687526.db2.gz KQQGFOOVYBKLLB-UHFFFAOYSA-N -1 0 319.339 -0.058 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCC(C)(C)C(=O)[O-])n[nH]1 ZINC001571143397 961694918 /nfs/dbraw/zinc/69/49/18/961694918.db2.gz WDSLJMKBTDMOJQ-UHFFFAOYSA-N -1 0 319.339 -0.025 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001574497275 961739114 /nfs/dbraw/zinc/73/91/14/961739114.db2.gz UVCURGHGXKOBAX-XLDPMVHQSA-N -1 0 307.310 -0.911 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C(=O)[O-])C1 ZINC000262475267 961740646 /nfs/dbraw/zinc/74/06/46/961740646.db2.gz JONRMZWUULRXRG-UWVGGRQHSA-N -1 0 309.322 -0.741 20 0 DBADRM Cc1nn(CCS(=O)(=O)NC(C)(C)CCC(=O)[O-])c(=O)o1 ZINC001571150696 961799270 /nfs/dbraw/zinc/79/92/70/961799270.db2.gz LAIAUTFTKQYRRA-UHFFFAOYSA-N -1 0 321.355 -0.292 20 0 DBADRM CN1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)[C@H](CO)C1 ZINC001598620342 1017351335 /nfs/dbraw/zinc/35/13/35/1017351335.db2.gz YANNJLZSVFAREF-NSHDSACASA-N -1 0 314.363 -0.318 20 0 DBADRM CCC[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)OC ZINC001571156173 961869507 /nfs/dbraw/zinc/86/95/07/961869507.db2.gz MIPDNUIEGDPMIS-JTQLQIEISA-N -1 0 322.383 -0.041 20 0 DBADRM COCCn1cc(N2C[C@@H](C(=O)N[C@H](C)C(=O)[O-])CC2=O)cn1 ZINC001571163652 961956074 /nfs/dbraw/zinc/95/60/74/961956074.db2.gz PWDVPZZKZGYGRU-ZJUUUORDSA-N -1 0 324.337 -0.528 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c1 ZINC001598619386 1017353475 /nfs/dbraw/zinc/35/34/75/1017353475.db2.gz FEKYZPPRSWMGGU-VIFPVBQESA-N -1 0 302.356 -0.943 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC2(COC(=O)N2)CC1 ZINC001345988900 962317606 /nfs/dbraw/zinc/31/76/06/962317606.db2.gz KEWGLDIXVFQNRK-UHFFFAOYSA-N -1 0 313.310 -0.932 20 0 DBADRM CN1CCO[C@H](C(=O)NCCc2ccc(C(=O)[O-])cc2)C1=O ZINC001598624925 1017355774 /nfs/dbraw/zinc/35/57/74/1017355774.db2.gz IWAPXDCRHFGWEO-GFCCVEGCSA-N -1 0 306.318 -0.099 20 0 DBADRM CN1CCc2c(cccc2S(=O)(=O)N[C@H](CO)C(=O)[O-])C1 ZINC001598626668 1017359617 /nfs/dbraw/zinc/35/96/17/1017359617.db2.gz HOWLBESLHXGJJH-LLVKDONJSA-N -1 0 314.363 -0.602 20 0 DBADRM C[C@H]1CN(CC(=O)N2CCC(C(=O)[O-])CC2)C[C@H](CO)O1 ZINC000299959504 962953808 /nfs/dbraw/zinc/95/38/08/962953808.db2.gz UVZTYYWUWPDNKC-CMPLNLGQSA-N -1 0 300.355 -0.609 20 0 DBADRM C[C@@H]1CN(CC(=O)N2CCC(C(=O)[O-])CC2)C[C@H](CO)O1 ZINC000299959506 962954486 /nfs/dbraw/zinc/95/44/86/962954486.db2.gz UVZTYYWUWPDNKC-ZYHUDNBSSA-N -1 0 300.355 -0.609 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000300193327 962988798 /nfs/dbraw/zinc/98/87/98/962988798.db2.gz DJWCAYIZLUCQLC-MXWKQRLJSA-N -1 0 318.395 -0.525 20 0 DBADRM CC[C@H](C)NC(=O)[C@@H](C)[S@](=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000300450799 963011476 /nfs/dbraw/zinc/01/14/76/963011476.db2.gz ZOZHWSIZVXZDTA-YPQSHXNLSA-N -1 0 306.384 -0.372 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(=O)[nH]1 ZINC000300482321 963014315 /nfs/dbraw/zinc/01/43/15/963014315.db2.gz BCTMEUXYFDRFOT-QMMMGPOBSA-N -1 0 314.319 -0.499 20 0 DBADRM CC(C)(CN1CCOCC1)NC(=O)NCCOCC(=O)[O-] ZINC000308618178 963296708 /nfs/dbraw/zinc/29/67/08/963296708.db2.gz MABZSPRMYHNZJX-UHFFFAOYSA-N -1 0 303.359 -0.502 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CCO1 ZINC001598636626 1017362493 /nfs/dbraw/zinc/36/24/93/1017362493.db2.gz AAJNTJGFBHOARX-AXFHLTTASA-N -1 0 314.338 -0.628 20 0 DBADRM COc1ncc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])s1 ZINC000312022771 963529276 /nfs/dbraw/zinc/52/92/76/963529276.db2.gz ZDMXNXBTIQAQNE-PHDIDXHHSA-N -1 0 308.337 -0.640 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000312354409 963556141 /nfs/dbraw/zinc/55/61/41/963556141.db2.gz INAWLHAQJUTMKW-ZCFIWIBFSA-N -1 0 304.299 -0.063 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC000313083346 963619184 /nfs/dbraw/zinc/61/91/84/963619184.db2.gz XEAHOOBLJWIEQY-UHFFFAOYSA-N -1 0 308.356 -0.694 20 0 DBADRM CC(C)C(=O)N1CCC(C(=O)N[C@](C)(CO)C(=O)[O-])CC1 ZINC000313527977 963661554 /nfs/dbraw/zinc/66/15/54/963661554.db2.gz YOLSOACZKUYCJQ-CQSZACIVSA-N -1 0 300.355 -0.167 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])cc1OC ZINC000313534404 963663359 /nfs/dbraw/zinc/66/33/59/963663359.db2.gz FXZZLQCHEWTUCQ-LBPRGKRZSA-N -1 0 319.335 -0.182 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000313542946 963664900 /nfs/dbraw/zinc/66/49/00/963664900.db2.gz MCFZMSOXEHHJTQ-GFCCVEGCSA-N -1 0 317.319 -0.428 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@](O)(CO)C2)cs1 ZINC000313686029 963675600 /nfs/dbraw/zinc/67/56/00/963675600.db2.gz TWVSRVLJHYKAKV-LLVKDONJSA-N -1 0 321.376 -0.046 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N(C)[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000314009856 963699987 /nfs/dbraw/zinc/69/99/87/963699987.db2.gz QOKBGKRGZXGFLT-VIFPVBQESA-N -1 0 314.367 -0.047 20 0 DBADRM O=C(CN1C(=O)CNC1=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000314139603 963716859 /nfs/dbraw/zinc/71/68/59/963716859.db2.gz PDIPPIPLTYPXBJ-JTQLQIEISA-N -1 0 305.290 -0.650 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000314304571 963738235 /nfs/dbraw/zinc/73/82/35/963738235.db2.gz ZOCJNUGSOFDACS-MNOVXSKESA-N -1 0 307.306 -0.485 20 0 DBADRM COc1ccc(O[C@@H](C)C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000314309847 963739614 /nfs/dbraw/zinc/73/96/14/963739614.db2.gz WLPGJFZZKVADDA-VIFPVBQESA-N -1 0 310.306 -0.221 20 0 DBADRM CC(C)C(=O)N1CCC(C(=O)NCC(=O)NCC(=O)[O-])CC1 ZINC000314312613 963739899 /nfs/dbraw/zinc/73/98/99/963739899.db2.gz WYJIMMKHKCJYHP-UHFFFAOYSA-N -1 0 313.354 -0.802 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2nc(CC(=O)[O-])cs2)c1=O ZINC000314526818 963764636 /nfs/dbraw/zinc/76/46/36/963764636.db2.gz RQXLEMFJNJWGJS-UHFFFAOYSA-N -1 0 324.318 -0.731 20 0 DBADRM CC(C)C(=O)N1CCC(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])CC1 ZINC000314888407 963825372 /nfs/dbraw/zinc/82/53/72/963825372.db2.gz ISOGVNNSYZJYME-NEPJUHHUSA-N -1 0 312.366 -0.073 20 0 DBADRM O=C([O-])C1(CNC(=O)NC2COCCOC2)CCOCC1 ZINC000314964407 963835706 /nfs/dbraw/zinc/83/57/06/963835706.db2.gz RUNPHJUPDVFHFO-UHFFFAOYSA-N -1 0 302.327 -0.418 20 0 DBADRM O=C(CN1C(=O)CNC1=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000315291592 963875760 /nfs/dbraw/zinc/87/57/60/963875760.db2.gz DJYXMZUTIJJKFO-SNVBAGLBSA-N -1 0 305.290 -0.477 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC000315399951 963894966 /nfs/dbraw/zinc/89/49/66/963894966.db2.gz LUWNDZFZFQQLMS-MNOVXSKESA-N -1 0 311.338 -0.953 20 0 DBADRM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315422768 963898547 /nfs/dbraw/zinc/89/85/47/963898547.db2.gz CSGRBIKRBZREMJ-ZETCQYMHSA-N -1 0 303.296 -0.728 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315425271 963899207 /nfs/dbraw/zinc/89/92/07/963899207.db2.gz OLDDPEIQTLLVNT-LURJTMIESA-N -1 0 324.336 -0.820 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(C3CC3)CC2)on1 ZINC000315432893 963900168 /nfs/dbraw/zinc/90/01/68/963900168.db2.gz PIRHEYNIPWTFKD-UHFFFAOYSA-N -1 0 301.324 -0.159 20 0 DBADRM COCC[C@H](NC(=O)c1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000315691603 963926862 /nfs/dbraw/zinc/92/68/62/963926862.db2.gz ZTWRBRHIZVMVKY-NSHDSACASA-N -1 0 310.306 -0.230 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCc2cccnc2)nn1 ZINC000315877137 963945694 /nfs/dbraw/zinc/94/56/94/963945694.db2.gz JYSHFUZVMJXVKZ-UHFFFAOYSA-N -1 0 304.310 -0.087 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315927110 963954949 /nfs/dbraw/zinc/95/49/49/963954949.db2.gz HCCRPWTXJZOVLC-LURJTMIESA-N -1 0 305.312 -0.625 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)c(F)c1 ZINC000316338992 964004264 /nfs/dbraw/zinc/00/42/64/964004264.db2.gz CUCNRDRLWJRTOT-SCZZXKLOSA-N -1 0 319.310 -0.502 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@H](O)[C@H](CO)C2)s1 ZINC000316442209 964012724 /nfs/dbraw/zinc/01/27/24/964012724.db2.gz RTDOUFLJIFVNCM-BQBZGAKWSA-N -1 0 307.349 -0.580 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)nn1 ZINC000316523092 964020913 /nfs/dbraw/zinc/02/09/13/964020913.db2.gz ZNTTYYHEHIUWHV-VIFPVBQESA-N -1 0 308.342 -0.488 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)[O-] ZINC000316619338 964032204 /nfs/dbraw/zinc/03/22/04/964032204.db2.gz BKTZNSHFGDNACL-GZMMTYOYSA-N -1 0 309.274 -0.041 20 0 DBADRM CNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001598638824 1017365054 /nfs/dbraw/zinc/36/50/54/1017365054.db2.gz LXHSIZMOSDIBAH-QMMMGPOBSA-N -1 0 313.335 -0.464 20 0 DBADRM O=C([O-])c1cnc(NCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000316958681 964079583 /nfs/dbraw/zinc/07/95/83/964079583.db2.gz XZWUYNIQKUNVFK-UHFFFAOYSA-N -1 0 310.266 -0.041 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)nn1 ZINC000316990156 964084860 /nfs/dbraw/zinc/08/48/60/964084860.db2.gz MSYYQCOPFFBCQR-IUCAKERBSA-N -1 0 307.310 -0.897 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001598641393 1017365086 /nfs/dbraw/zinc/36/50/86/1017365086.db2.gz DNEJQPOLQJQCOS-UHFFFAOYSA-N -1 0 311.269 -0.333 20 0 DBADRM CC1(C)C(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)C1(C)C ZINC001485984334 1013499806 /nfs/dbraw/zinc/49/98/06/1013499806.db2.gz JGPKPBWLPMJGRU-QMMMGPOBSA-N -1 0 311.386 -0.241 20 0 DBADRM Cc1cscc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001485984459 1013500355 /nfs/dbraw/zinc/50/03/55/1013500355.db2.gz LYMAJDGCSFSSMV-MRVPVSSYSA-N -1 0 311.367 -0.239 20 0 DBADRM O=C(C[C@H]1CC=CCC1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001486023226 1013580816 /nfs/dbraw/zinc/58/08/16/1013580816.db2.gz AFNJYVVSSSUBDU-WDEREUQCSA-N -1 0 309.370 -0.177 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C1(CF)CCC1 ZINC001486037814 1013606164 /nfs/dbraw/zinc/60/61/64/1013606164.db2.gz VAJRKIZHLZYRBY-MRVPVSSYSA-N -1 0 301.322 -0.783 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1CC12CCCC2 ZINC001486050590 1013626939 /nfs/dbraw/zinc/62/69/39/1013626939.db2.gz HXVYJBAVCAICKT-UWVGGRQHSA-N -1 0 309.370 -0.343 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C(C1CC1)C1CC1 ZINC001486051325 1013630077 /nfs/dbraw/zinc/63/00/77/1013630077.db2.gz XRZLIVGTZAVGOY-JTQLQIEISA-N -1 0 309.370 -0.487 20 0 DBADRM CO[C@@H](C)CCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001599039342 1017494162 /nfs/dbraw/zinc/49/41/62/1017494162.db2.gz PKJDTGKXNPMSEQ-HOTUBEGUSA-N -1 0 307.368 -0.194 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)CCCCF)C[C@H]1C(=O)[O-] ZINC001598828488 1017438957 /nfs/dbraw/zinc/43/89/57/1017438957.db2.gz XARPCTSXHWHYFQ-BDAKNGLRSA-N -1 0 311.331 -0.129 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CCSC[C@@H]1C(=O)[O-] ZINC001599162515 1017536384 /nfs/dbraw/zinc/53/63/84/1017536384.db2.gz YKPYBJATVPSXIW-RKDXNWHRSA-N -1 0 319.383 -0.651 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(C(=O)CCSCC(=O)[O-])C1 ZINC001599759063 1017624099 /nfs/dbraw/zinc/62/40/99/1017624099.db2.gz GEXMFAMTXNUXME-SECBINFHSA-N -1 0 324.424 -0.408 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCS(=O)(=O)C2CC2)o1 ZINC001602398952 1017992710 /nfs/dbraw/zinc/99/27/10/1017992710.db2.gz MYRFDFCJBWSSMA-UHFFFAOYSA-N -1 0 323.348 -0.167 20 0 DBADRM C[C@H](C(=O)N1CC(O)(C(=O)[O-])C1)N1CSCCSC1 ZINC001603139768 1018120898 /nfs/dbraw/zinc/12/08/98/1018120898.db2.gz JBRHKEUUYBAKIV-MRVPVSSYSA-N -1 0 306.409 -0.270 20 0 DBADRM C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000054309925 967538942 /nfs/dbraw/zinc/53/89/42/967538942.db2.gz NSDOYRKZXUNOLJ-SECBINFHSA-N -1 0 300.336 -0.198 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000079487107 967560948 /nfs/dbraw/zinc/56/09/48/967560948.db2.gz SSDRZTRNIVYDNZ-BXKDBHETSA-N -1 0 304.368 -0.771 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC000090276729 967587807 /nfs/dbraw/zinc/58/78/07/967587807.db2.gz HTLYZLUSPUVZKY-LBPRGKRZSA-N -1 0 316.335 -0.840 20 0 DBADRM CCC(CC)(CNC(=O)NCCCS(N)(=O)=O)C(=O)[O-] ZINC000165149937 967667476 /nfs/dbraw/zinc/66/74/76/967667476.db2.gz JSTLCMOMEWOLPS-UHFFFAOYSA-N -1 0 309.388 -0.145 20 0 DBADRM CCN1C[C@@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])CC1=O ZINC000168767455 967678813 /nfs/dbraw/zinc/67/88/13/967678813.db2.gz LBSYSNSCCODSNO-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)[C@H](CNS(=O)(=O)C[C@@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC001606329160 1018810507 /nfs/dbraw/zinc/81/05/07/1018810507.db2.gz CDQSWBNJGDEEBR-OPRDCNLKSA-N -1 0 323.367 -0.548 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC(O)(C(F)(F)F)CC1 ZINC000380390724 968080618 /nfs/dbraw/zinc/08/06/18/968080618.db2.gz YNVQRFSELREECO-UHFFFAOYSA-N -1 0 319.301 -0.125 20 0 DBADRM O=C([O-])C1(CNC(=O)NCc2ccc(=O)[nH]n2)CCOCC1 ZINC000391434368 968188261 /nfs/dbraw/zinc/18/82/61/968188261.db2.gz MMXPZZQEKCCDHO-UHFFFAOYSA-N -1 0 310.310 -0.137 20 0 DBADRM NC(=O)CC1(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001608229806 1019117659 /nfs/dbraw/zinc/11/76/59/1019117659.db2.gz ATXUUJMMTBNMIZ-UHFFFAOYSA-N -1 0 302.308 -0.088 20 0 DBADRM COc1ccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c(O)c1 ZINC000396651516 968228661 /nfs/dbraw/zinc/22/86/61/968228661.db2.gz OKWOKBCWDBURDS-UHFFFAOYSA-N -1 0 308.290 -0.230 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000398836781 968280986 /nfs/dbraw/zinc/28/09/86/968280986.db2.gz NJWIRZGHFPKQPL-KXUCPTDWSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@@H](CS(=O)(=O)NC(C)(C)CN1CCOCC1)C(=O)[O-] ZINC001609749300 1019557454 /nfs/dbraw/zinc/55/74/54/1019557454.db2.gz GBCSRMUAIQNEFL-JTQLQIEISA-N -1 0 308.400 -0.263 20 0 DBADRM CC[NH+]1CCN(CCNS(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC001610009329 1019600991 /nfs/dbraw/zinc/60/09/91/1019600991.db2.gz QSXKSLWDROBGDA-LLVKDONJSA-N -1 0 307.416 -0.736 20 0 DBADRM O=C([O-])C1(O)CCN(S(=O)(=O)CC[C@H]2CCOC2)CC1 ZINC001610730415 1019724649 /nfs/dbraw/zinc/72/46/49/1019724649.db2.gz ZBASCBOSSVJUAW-SNVBAGLBSA-N -1 0 307.368 -0.346 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)NC1COCCOC1 ZINC001610743676 1019727073 /nfs/dbraw/zinc/72/70/73/1019727073.db2.gz KYPADCDGHMNBAV-MNOVXSKESA-N -1 0 307.368 -0.035 20 0 DBADRM CCC(=O)N[C@H](C)[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001486623898 1013865249 /nfs/dbraw/zinc/86/52/49/1013865249.db2.gz IDDMKTYGZFFRPW-RKDXNWHRSA-N -1 0 320.353 -0.509 20 0 DBADRM CCC(=O)N[C@@H](C)[C@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001486624209 1013865588 /nfs/dbraw/zinc/86/55/88/1013865588.db2.gz MQNQPNLVFKKGRF-IUCAKERBSA-N -1 0 313.358 -0.111 20 0 DBADRM C[C@@H](NC(=O)C(F)F)[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001486628741 1013865662 /nfs/dbraw/zinc/86/56/62/1013865662.db2.gz YFAQGRBXIISIEV-NTSWFWBYSA-N -1 0 318.280 -0.626 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001596181347 1017117408 /nfs/dbraw/zinc/11/74/08/1017117408.db2.gz QXLSBGIVMZKNCZ-GXSJLCMTSA-N -1 0 315.370 -0.280 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001486960062 1013910759 /nfs/dbraw/zinc/91/07/59/1013910759.db2.gz INVUTPAFTBSRRO-GUBZILKMSA-N -1 0 322.365 -0.281 20 0 DBADRM C[C@@]1(C2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2)NC(=O)NC1=O ZINC001589240612 969931680 /nfs/dbraw/zinc/93/16/80/969931680.db2.gz XPVDPSIHQYLOQU-FCHSOHFDSA-N -1 0 323.349 -0.066 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC001487203296 1013959238 /nfs/dbraw/zinc/95/92/38/1013959238.db2.gz NVJXXDNRXZUHAP-NRPADANISA-N -1 0 323.353 -0.692 20 0 DBADRM O=C([O-])[C@@H]1CC(C(=O)N[C@@H]2CNC(=O)C2)=NN1c1ccccc1 ZINC001606554998 970335901 /nfs/dbraw/zinc/33/59/01/970335901.db2.gz BTZSKTORHKGILN-CABZTGNLSA-N -1 0 316.317 -0.289 20 0 DBADRM O=C([O-])[C@@H]1CC(C(=O)N[C@H]2CNC(=O)C2)=NN1c1ccccc1 ZINC001606555002 970336309 /nfs/dbraw/zinc/33/63/09/970336309.db2.gz BTZSKTORHKGILN-SKDRFNHKSA-N -1 0 316.317 -0.289 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1ccc3n[nH]nc3n1)C2 ZINC001595278570 970344916 /nfs/dbraw/zinc/34/49/16/970344916.db2.gz WLMHXBPDRBZMLV-CPFSXVBKSA-N -1 0 303.278 -0.474 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CC3(C2)CC(=O)Nc2nccn23)CCCO1 ZINC001606559008 970345257 /nfs/dbraw/zinc/34/52/57/970345257.db2.gz CIFGZCQRZBGKNS-AWEZNQCLSA-N -1 0 320.305 -0.603 20 0 DBADRM O=C([O-])C1CCN(C(=O)Cn2nc3cnccn3c2=O)CC1 ZINC000317760790 970385997 /nfs/dbraw/zinc/38/59/97/970385997.db2.gz UGNXGVAVVOYLNS-UHFFFAOYSA-N -1 0 305.294 -0.786 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)CCn1ccccc1=O ZINC000317907240 970395696 /nfs/dbraw/zinc/39/56/96/970395696.db2.gz TWKOWTQFUJDCIN-LLVKDONJSA-N -1 0 304.306 -0.226 20 0 DBADRM NC(=O)c1ccccc1NC(=O)CN1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000318731622 970465310 /nfs/dbraw/zinc/46/53/10/970465310.db2.gz GTNUQJFMSFNZCJ-LDYMZIIASA-N -1 0 307.306 -0.756 20 0 DBADRM COc1cc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)nn1C ZINC000319122492 970506162 /nfs/dbraw/zinc/50/61/62/970506162.db2.gz GESLZZRNGPAFDJ-UHFFFAOYSA-N -1 0 306.282 -0.585 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1=O ZINC000319360351 970529081 /nfs/dbraw/zinc/52/90/81/970529081.db2.gz SGJLGUBFKPEMBW-LURJTMIESA-N -1 0 323.227 -0.931 20 0 DBADRM C[C@@H](O)C[C@H]1CCCN1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000319459669 970536969 /nfs/dbraw/zinc/53/69/69/970536969.db2.gz UVSXOKFCARRWBV-NXEZZACHSA-N -1 0 311.342 -0.079 20 0 DBADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN1C(=O)CNC1=O ZINC000320372726 970656011 /nfs/dbraw/zinc/65/60/11/970656011.db2.gz UGTMYUDBZBREGH-LLVKDONJSA-N -1 0 317.301 -0.424 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)C(=O)[O-] ZINC000320586422 970682050 /nfs/dbraw/zinc/68/20/50/970682050.db2.gz UMZRHGNREJLMEN-JTQLQIEISA-N -1 0 323.305 -0.399 20 0 DBADRM Cc1nccn1CCNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000320871128 970723703 /nfs/dbraw/zinc/72/37/03/970723703.db2.gz NYPVKZBIZUXSNB-UHFFFAOYSA-N -1 0 307.314 -0.519 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CCNC(=O)c1ccco1 ZINC000321307102 970759987 /nfs/dbraw/zinc/75/99/87/970759987.db2.gz AWTUMVIUUHLJCY-VIFPVBQESA-N -1 0 323.305 -0.799 20 0 DBADRM CCN([C@@H]1CCNC1=O)S(=O)(=O)c1occc1C(=O)[O-] ZINC001596196278 1017121040 /nfs/dbraw/zinc/12/10/40/1017121040.db2.gz FCEADBCRVZNANB-MRVPVSSYSA-N -1 0 302.308 -0.123 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)o1 ZINC000394660059 972732434 /nfs/dbraw/zinc/73/24/34/972732434.db2.gz CPIDYOBPFGYROK-SECBINFHSA-N -1 0 315.351 -0.744 20 0 DBADRM CCN(CC)S(=O)(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001596283845 1017122184 /nfs/dbraw/zinc/12/21/84/1017122184.db2.gz TXIYWTXDPBNLOG-SECBINFHSA-N -1 0 317.371 -0.190 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000395222378 972782664 /nfs/dbraw/zinc/78/26/64/972782664.db2.gz QSISRURCBAFXIG-UHFFFAOYSA-N -1 0 301.320 -0.233 20 0 DBADRM CCN(CC(N)=O)S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001596237143 1017122265 /nfs/dbraw/zinc/12/22/65/1017122265.db2.gz JZDGRCOKADEEAZ-UHFFFAOYSA-N -1 0 318.326 -0.051 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N3CC[C@@](O)(C(=O)[O-])C3)nc2n1 ZINC000395311769 972786784 /nfs/dbraw/zinc/78/67/84/972786784.db2.gz BHSIQVXKRNEPHU-ZDUSSCGKSA-N -1 0 305.294 -0.597 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C[C@H]1O ZINC000395749244 972827183 /nfs/dbraw/zinc/82/71/83/972827183.db2.gz FCGKNBSEHHXEOR-VXGBXAGGSA-N -1 0 315.347 -0.306 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCCC2(CO)CC2)CC1 ZINC000395821350 972833927 /nfs/dbraw/zinc/83/39/27/972833927.db2.gz QLHUBNMEACYWCF-UHFFFAOYSA-N -1 0 306.384 -0.220 20 0 DBADRM O=C([O-])c1cn(C2CN(S(=O)(=O)CC3CCC3)C2)nn1 ZINC000395908930 972841053 /nfs/dbraw/zinc/84/10/53/972841053.db2.gz QWPIXDAEWDPNBJ-UHFFFAOYSA-N -1 0 300.340 -0.037 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@@H](O)[C@@H](CO)C2)cc1C(=O)[O-] ZINC000396903234 972950020 /nfs/dbraw/zinc/95/00/20/972950020.db2.gz XZGGXBPXDFRPOL-LDYMZIIASA-N -1 0 318.351 -0.913 20 0 DBADRM CNC(=O)NC1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000396966515 972955402 /nfs/dbraw/zinc/95/54/02/972955402.db2.gz JKXILGFOXWIDMU-UHFFFAOYSA-N -1 0 322.387 -0.969 20 0 DBADRM CNC(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000397418019 972999425 /nfs/dbraw/zinc/99/94/25/972999425.db2.gz FINUYRPAZJIBOS-UHFFFAOYSA-N -1 0 305.312 -0.506 20 0 DBADRM CNC(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000397428522 973000917 /nfs/dbraw/zinc/00/09/17/973000917.db2.gz HKVXLSRITLRYQJ-UHFFFAOYSA-N -1 0 315.351 -0.099 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000397522391 973007686 /nfs/dbraw/zinc/00/76/86/973007686.db2.gz KQWQOUBATODZAC-UHFFFAOYSA-N -1 0 303.296 -0.922 20 0 DBADRM C[C@H]1CSC[C@@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000397971978 973045149 /nfs/dbraw/zinc/04/51/49/973045149.db2.gz ICHRMNTWVKOWGE-CBAPKCEASA-N -1 0 305.381 -0.003 20 0 DBADRM Cc1ccc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])cc1C(N)=O ZINC000398248095 973092254 /nfs/dbraw/zinc/09/22/54/973092254.db2.gz UMZPTXSJMBZZPK-QMMMGPOBSA-N -1 0 316.335 -0.792 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)N1CCc2ccccc2C1 ZINC000398252692 973093553 /nfs/dbraw/zinc/09/35/53/973093553.db2.gz XNVJJBQDOZVBEM-LBPRGKRZSA-N -1 0 314.363 -0.285 20 0 DBADRM C[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])c1csnn1 ZINC000398269229 973099724 /nfs/dbraw/zinc/09/97/24/973099724.db2.gz GFLUSCZPOCMROG-BYPYZUCNSA-N -1 0 303.325 -0.001 20 0 DBADRM Cc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@H](O)CC(=O)[O-] ZINC000398276894 973100950 /nfs/dbraw/zinc/10/09/50/973100950.db2.gz JMABLBAOOSLNPK-SECBINFHSA-N -1 0 315.347 -0.036 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)NC[C@@H]1CNC(=O)C1 ZINC000398415229 973138896 /nfs/dbraw/zinc/13/88/96/973138896.db2.gz SFNLVGMNPSOVPA-LURJTMIESA-N -1 0 304.349 -0.139 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)[C@@H](C)C[S@@](C)=O)c1C(=O)[O-] ZINC000398882630 973178857 /nfs/dbraw/zinc/17/88/57/973178857.db2.gz IOLLAPMQHRFRTN-INMOSUBGSA-N -1 0 323.396 -0.196 20 0 DBADRM CCN(CC)C(=O)N1CCC(C(=O)N[C@@H](CO)C(=O)[O-])CC1 ZINC001596248751 1017123454 /nfs/dbraw/zinc/12/34/54/1017123454.db2.gz BVIYMMJEIIKEFN-NSHDSACASA-N -1 0 315.370 -0.278 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000399615360 973231312 /nfs/dbraw/zinc/23/13/12/973231312.db2.gz DNDQKEINULBJTI-SSDOTTSWSA-N -1 0 304.328 -0.802 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](Nc2nccnc2C(=O)[O-])C1 ZINC000400166340 973255602 /nfs/dbraw/zinc/25/56/02/973255602.db2.gz KWUACGUWXNNYPZ-MRVPVSSYSA-N -1 0 300.340 -0.567 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000400245761 973263094 /nfs/dbraw/zinc/26/30/94/973263094.db2.gz ZDEKRULJJMZWDY-MRVPVSSYSA-N -1 0 301.324 -0.523 20 0 DBADRM CCN(CC)C(=O)CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001596247623 1017123949 /nfs/dbraw/zinc/12/39/49/1017123949.db2.gz FUBHWNDJTAPMNI-UHFFFAOYSA-N -1 0 306.384 -0.524 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1=O ZINC000401523951 973370524 /nfs/dbraw/zinc/37/05/24/973370524.db2.gz QKTQGBCCKNFTSI-VIFPVBQESA-N -1 0 311.338 -0.447 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401781209 973386999 /nfs/dbraw/zinc/38/69/99/973386999.db2.gz HLOSHYCQWPHUQT-ZJUUUORDSA-N -1 0 315.370 -0.232 20 0 DBADRM C[C@@H]1[C@H](NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CCS1(=O)=O ZINC000401811570 973407717 /nfs/dbraw/zinc/40/77/17/973407717.db2.gz DNECKRYMWXLTHG-DOLQZWNJSA-N -1 0 320.367 -0.961 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)CCNC(=O)c2ccco2)C1 ZINC000401818603 973417232 /nfs/dbraw/zinc/41/72/32/973417232.db2.gz ISJGKRFLXKHNLV-UWVGGRQHSA-N -1 0 310.306 -0.307 20 0 DBADRM CC(C)(CNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000401828196 973426515 /nfs/dbraw/zinc/42/65/15/973426515.db2.gz MPDMEPNHQIQMIW-DTWKUNHWSA-N -1 0 322.383 -0.713 20 0 DBADRM CC(C)S(=O)(=O)CCNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401844251 973443316 /nfs/dbraw/zinc/44/33/16/973443316.db2.gz WBFLFMDTPVUOCY-VHSXEESVSA-N -1 0 322.383 -0.713 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC000401866103 973465298 /nfs/dbraw/zinc/46/52/98/973465298.db2.gz VFFCFDZSXQCSFC-UTUOFQBUSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C(NC[C@@H](CO)NC(=O)C1CC1)c1cc(=O)[nH]c(C2CC2)n1 ZINC001488019844 1014114749 /nfs/dbraw/zinc/11/47/49/1014114749.db2.gz KLGWRMGAIBFUMO-JTQLQIEISA-N -1 0 320.349 -0.324 20 0 DBADRM CC(C)C(=O)NCCNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401889628 973496720 /nfs/dbraw/zinc/49/67/20/973496720.db2.gz NBHGPBYUMLMXMD-VHSXEESVSA-N -1 0 301.343 -0.764 20 0 DBADRM CC(C)CNC(=O)NC(=O)CN1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401908502 973519297 /nfs/dbraw/zinc/51/92/97/973519297.db2.gz RUTNURUUWSPLPB-ZJUUUORDSA-N -1 0 301.343 -0.764 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2cncc(-n3cncn3)n2)C1 ZINC001604541374 973519969 /nfs/dbraw/zinc/51/99/69/973519969.db2.gz OIYLEYWNWODLFA-ZDUSSCGKSA-N -1 0 304.310 -0.015 20 0 DBADRM Cc1nnc(CCNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)s1 ZINC000401910705 973522807 /nfs/dbraw/zinc/52/28/07/973522807.db2.gz KSOGWGXKSGWOBU-DTWKUNHWSA-N -1 0 314.367 -0.134 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=S)NCC(=O)N(C)C)C1 ZINC001604541770 973527007 /nfs/dbraw/zinc/52/70/07/973527007.db2.gz JNJXXIDCOULHNU-GFCCVEGCSA-N -1 0 303.384 -0.628 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401920708 973535211 /nfs/dbraw/zinc/53/52/11/973535211.db2.gz NGSSJIIKOSUXQJ-NXEZZACHSA-N -1 0 317.367 -0.507 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)N[C@H]2C[C@H](OC)C2)CCO1 ZINC001604548915 973542298 /nfs/dbraw/zinc/54/22/98/973542298.db2.gz BPQYAOMHGZTWRK-GIPNMCIBSA-N -1 0 302.327 -0.325 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000401954193 973560462 /nfs/dbraw/zinc/56/04/62/973560462.db2.gz WWJRXVFQDKOYBQ-ZJUUUORDSA-N -1 0 320.301 -0.075 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401962846 973567681 /nfs/dbraw/zinc/56/76/81/973567681.db2.gz YNKLLRZZXRFYJH-HLTSFMKQSA-N -1 0 319.383 -0.930 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000401964645 973569408 /nfs/dbraw/zinc/56/94/08/973569408.db2.gz COTGOFFOGGTVNJ-XQQFMLRXSA-N -1 0 324.377 -0.071 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401968381 973573744 /nfs/dbraw/zinc/57/37/44/973573744.db2.gz IFVUDEXPVZLBEN-NKWVEPMBSA-N -1 0 323.758 -0.470 20 0 DBADRM Cc1ncc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)s1 ZINC000401973226 973580469 /nfs/dbraw/zinc/58/04/69/973580469.db2.gz PPKJSKTURVTJEN-YUMQZZPRSA-N -1 0 306.365 -0.092 20 0 DBADRM Cn1nccc1[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-] ZINC000402534447 973619502 /nfs/dbraw/zinc/61/95/02/973619502.db2.gz STYJZKKRWBVNCS-NSHDSACASA-N -1 0 321.318 -0.209 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000402623381 973632746 /nfs/dbraw/zinc/63/27/46/973632746.db2.gz WBSDNQCSZPTPRU-NXEZZACHSA-N -1 0 315.351 -0.371 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC(F)(F)[C@@H](CO)C1 ZINC000403559906 973679114 /nfs/dbraw/zinc/67/91/14/973679114.db2.gz JRGKPMNZXMXNNM-MRVPVSSYSA-N -1 0 316.326 -0.413 20 0 DBADRM CCn1cc(CNS(=O)(=O)c2cc(C(=O)[O-])ccn2)nn1 ZINC000404478332 973729029 /nfs/dbraw/zinc/72/90/29/973729029.db2.gz ZUVIQBIIOWOCES-UHFFFAOYSA-N -1 0 311.323 -0.130 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC000405520980 973893920 /nfs/dbraw/zinc/89/39/20/973893920.db2.gz JDMPPNNLTXKASD-VHSXEESVSA-N -1 0 321.399 -0.132 20 0 DBADRM Cc1cc(C(=O)[O-])nc(NCCN2CCCS2(=O)=O)n1 ZINC000406003623 973914729 /nfs/dbraw/zinc/91/47/29/973914729.db2.gz WKSMCLRBKJREIW-UHFFFAOYSA-N -1 0 300.340 -0.647 20 0 DBADRM C[C@@H](CNC(=O)[C@]1(C)C=CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001526882451 1014151148 /nfs/dbraw/zinc/15/11/48/1014151148.db2.gz CIBSKBXAKAXUPQ-RMLUDKJBSA-N -1 0 321.337 -0.126 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])CCO1 ZINC000417476314 973957689 /nfs/dbraw/zinc/95/76/89/973957689.db2.gz QGOFARCCEJNKDS-SECBINFHSA-N -1 0 324.424 -0.156 20 0 DBADRM CCN(CCNC(=O)CNC(=O)NC)c1ncc(C(=O)[O-])cn1 ZINC001596333224 1017128721 /nfs/dbraw/zinc/12/87/21/1017128721.db2.gz OIALXAALKCTPGY-UHFFFAOYSA-N -1 0 324.341 -0.954 20 0 DBADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)ccc1-n1cnnn1 ZINC000585868575 974961259 /nfs/dbraw/zinc/96/12/59/974961259.db2.gz RJDIPDAWYQWYOM-KCJUWKMLSA-N -1 0 305.294 -0.465 20 0 DBADRM CC(C)OC[C@@H](CO)N(C)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001591717972 975623229 /nfs/dbraw/zinc/62/32/29/975623229.db2.gz KMDZVPGEUFOVMQ-SNVBAGLBSA-N -1 0 309.384 -0.101 20 0 DBADRM CC(C)OC[C@@H](CO)N(C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001591718355 975626155 /nfs/dbraw/zinc/62/61/55/975626155.db2.gz ODRDQOAWCLIKOI-MRVPVSSYSA-N -1 0 322.339 -0.221 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1n[nH]cc1F ZINC001596333990 1017132075 /nfs/dbraw/zinc/13/20/75/1017132075.db2.gz YERFTRFRXMHSNK-HTQZYQBOSA-N -1 0 312.301 -0.152 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@H]2CCN(C)C2=O)c1[O-] ZINC001528041867 1014342166 /nfs/dbraw/zinc/34/21/66/1014342166.db2.gz MEHLFIZYKXMBEE-VIFPVBQESA-N -1 0 323.353 -0.910 20 0 DBADRM CN(CCNC(=O)c1c[n-]n2c1nccc2=O)C(=O)C(C)(C)F ZINC001528157290 1014364969 /nfs/dbraw/zinc/36/49/69/1014364969.db2.gz MGSKUWPHVYYFMD-UHFFFAOYSA-N -1 0 323.328 -0.041 20 0 DBADRM Cc1ncn(C)c1C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001528277944 1014388095 /nfs/dbraw/zinc/38/80/95/1014388095.db2.gz IHKACWIGJWLYHW-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM Cc1nnc(NNC(=O)c2ccc3c(c2)OCC(=O)N3)[n-]c1=O ZINC000011548575 977392861 /nfs/dbraw/zinc/39/28/61/977392861.db2.gz WOXAVKUZWOHSCX-UHFFFAOYSA-N -1 0 316.277 -0.439 20 0 DBADRM Cc1nnc(NNC(=O)c2ccc(S(C)(=O)=O)cc2)[n-]c1=O ZINC000011335038 977393889 /nfs/dbraw/zinc/39/38/89/977393889.db2.gz PNJAYBUIXNIPFH-UHFFFAOYSA-N -1 0 323.334 -0.366 20 0 DBADRM Nc1nccnc1C(=O)[N-]NC(=O)c1n[nH]c2c1CCCC2 ZINC000013295576 977395402 /nfs/dbraw/zinc/39/54/02/977395402.db2.gz QXVCLZYEVWZJBD-UHFFFAOYSA-N -1 0 301.310 -0.265 20 0 DBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)N(C)C2CCOCC2)C1 ZINC000926593279 977445572 /nfs/dbraw/zinc/44/55/72/977445572.db2.gz IOVWVGAWVQEEEA-QWRGUYRKSA-N -1 0 322.383 -0.484 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1[C@@H](C(=O)[O-])C[C@@H]2OCC[C@@H]21 ZINC000926596427 977445637 /nfs/dbraw/zinc/44/56/37/977445637.db2.gz LUNLDPPNQYBQOS-AXFHLTTASA-N -1 0 304.368 -0.111 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2OCC[C@@H]2N1S(=O)(=O)[C@@H]1CCCOC1 ZINC000926594978 977445830 /nfs/dbraw/zinc/44/58/30/977445830.db2.gz ANEFQBRPLBUHBK-RCWTZXSCSA-N -1 0 305.352 -0.188 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990856360 977456696 /nfs/dbraw/zinc/45/66/96/977456696.db2.gz WZXAGMFJQLXHER-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)CCn3ccnc3)C2)c1[O-] ZINC000990856766 977457197 /nfs/dbraw/zinc/45/71/97/977457197.db2.gz ZHCAKARCLMQHBM-UHFFFAOYSA-N -1 0 318.337 -0.349 20 0 DBADRM CCN(OC)C(=O)CNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001596380390 1017133474 /nfs/dbraw/zinc/13/34/74/1017133474.db2.gz GAEBDNSNEJHHNB-NSHDSACASA-N -1 0 317.342 -0.737 20 0 DBADRM O=C(Cn1cccn1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052201900 977669907 /nfs/dbraw/zinc/66/99/07/977669907.db2.gz OHNUJWKBIGWKQP-NSHDSACASA-N -1 0 319.369 -0.122 20 0 DBADRM Cn1nncc1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052350032 977703919 /nfs/dbraw/zinc/70/39/19/977703919.db2.gz NKTKNKREANSTPU-VIFPVBQESA-N -1 0 320.357 -0.577 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1COC(=O)N1 ZINC001052353095 977707581 /nfs/dbraw/zinc/70/75/81/977707581.db2.gz XYPRLXDKXGYMET-RKDXNWHRSA-N -1 0 324.341 -0.911 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001052879241 977828721 /nfs/dbraw/zinc/82/87/21/977828721.db2.gz SHGFRBBWYRFTEH-UWVGGRQHSA-N -1 0 322.369 -0.740 20 0 DBADRM CCC(=O)NC[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC001053126995 977857944 /nfs/dbraw/zinc/85/79/44/977857944.db2.gz NCTJIQKUQFMFJR-UWVGGRQHSA-N -1 0 322.365 -0.280 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053138686 977859757 /nfs/dbraw/zinc/85/97/57/977859757.db2.gz OPWNRYQMMZEEDL-VHSXEESVSA-N -1 0 307.354 -0.421 20 0 DBADRM COC[C@@H](C)N1CC2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])CCO2 ZINC001053226561 977884374 /nfs/dbraw/zinc/88/43/74/977884374.db2.gz ZDXILOBRIMDWPW-SNVBAGLBSA-N -1 0 324.381 -0.015 20 0 DBADRM COC[C@H](C)N1CC2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])CCO2 ZINC001053226560 977884919 /nfs/dbraw/zinc/88/49/19/977884919.db2.gz ZDXILOBRIMDWPW-JTQLQIEISA-N -1 0 324.381 -0.015 20 0 DBADRM CCCN1CC2(C1)CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)O2 ZINC001053627069 978012489 /nfs/dbraw/zinc/01/24/89/978012489.db2.gz MKUFTYKKKALCHJ-SECBINFHSA-N -1 0 323.353 -0.344 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2COC3(CN(C[C@@H](C)O)C3)C2)c1[O-] ZINC001053775074 978066228 /nfs/dbraw/zinc/06/62/28/978066228.db2.gz QEEGFOLCIWXIFY-SCZZXKLOSA-N -1 0 310.354 -0.622 20 0 DBADRM COCCN1CC2(C1)C[C@@H](NC(=O)c1[nH]nc(C)c1[O-])CO2 ZINC001053774827 978066955 /nfs/dbraw/zinc/06/69/55/978066955.db2.gz KOQNYBYCKVKVED-SNVBAGLBSA-N -1 0 310.354 -0.357 20 0 DBADRM CC1(C(=O)N[C@H]2COC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)CC1 ZINC001053809148 978086738 /nfs/dbraw/zinc/08/67/38/978086738.db2.gz BRXBMTKJPNNENB-SECBINFHSA-N -1 0 307.354 -0.230 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053898439 978136361 /nfs/dbraw/zinc/13/63/61/978136361.db2.gz KFJLKMOVZPVRIJ-AEJSXWLSSA-N -1 0 307.354 -0.374 20 0 DBADRM CCOC(=O)C[C@H](NC(=O)NCC(=O)[N-]OC)C(F)(F)F ZINC001207457222 978203620 /nfs/dbraw/zinc/20/36/20/978203620.db2.gz LEVDCECOWDUQRP-LURJTMIESA-N -1 0 315.248 -0.153 20 0 DBADRM CCN(CCNC(=O)C1=CCCC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001528807526 1014476777 /nfs/dbraw/zinc/47/67/77/1014476777.db2.gz LWJMIODZNBEHTE-UHFFFAOYSA-N -1 0 323.353 -0.236 20 0 DBADRM CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1ncc[n-]1 ZINC001208348242 978350119 /nfs/dbraw/zinc/35/01/19/978350119.db2.gz LLNIUQDMAHHSFY-UHFFFAOYSA-N -1 0 310.401 -0.640 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCc1cn[nH]c1 ZINC001209317688 978445826 /nfs/dbraw/zinc/44/58/26/978445826.db2.gz AKVMHQOULWWKRI-MWLCHTKSSA-N -1 0 319.369 -0.197 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)Cc1cnoc1 ZINC001488652606 1014493117 /nfs/dbraw/zinc/49/31/17/1014493117.db2.gz RZPHLIQPQJGMJA-SNVBAGLBSA-N -1 0 306.326 -0.226 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)CCn1ccnc1 ZINC001488645956 1014493849 /nfs/dbraw/zinc/49/38/49/1014493849.db2.gz WTZSHYOYVISOFL-NSHDSACASA-N -1 0 319.369 -0.170 20 0 DBADRM CCN(CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)=O ZINC001529010689 1014503497 /nfs/dbraw/zinc/50/34/97/1014503497.db2.gz SRHSCXNBHWSLON-UHFFFAOYSA-N -1 0 306.326 -0.944 20 0 DBADRM O=C1NC(=O)C2(CCC(NS(=O)(=O)c3ncc[n-]3)CC2)N1 ZINC001211794620 978581609 /nfs/dbraw/zinc/58/16/09/978581609.db2.gz ZHUBMXFSNVAVLZ-UHFFFAOYSA-N -1 0 313.339 -0.791 20 0 DBADRM CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001211913932 978593395 /nfs/dbraw/zinc/59/33/95/978593395.db2.gz CPDPVIYKWWNXQC-IVZWLZJFSA-N -1 0 313.358 -0.749 20 0 DBADRM COC[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001212028147 978607224 /nfs/dbraw/zinc/60/72/24/978607224.db2.gz KXGCCDZIIIOYAO-OPRDCNLKSA-N -1 0 313.358 -0.892 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)CCCCC(N)=O ZINC001488679704 1014512772 /nfs/dbraw/zinc/51/27/72/1014512772.db2.gz TUGLMCCOCLCYPO-JTQLQIEISA-N -1 0 324.385 -0.411 20 0 DBADRM COC(=O)/C=C\[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC001214069677 978709860 /nfs/dbraw/zinc/70/98/60/978709860.db2.gz KPAMHQPSYKLSGI-IQXGSHKSSA-N -1 0 318.307 -0.143 20 0 DBADRM COC(=O)[C@@H](N)CC(=O)Nc1nc[n-]c(=O)c1Br ZINC001218680062 978844375 /nfs/dbraw/zinc/84/43/75/978844375.db2.gz POSAIJHBLKEWTB-BYPYZUCNSA-N -1 0 319.115 -0.226 20 0 DBADRM COC(=O)c1cc(OC)ccc1NC(=O)[C@@H]([NH3+])Cc1nnn[n-]1 ZINC001218818194 978854763 /nfs/dbraw/zinc/85/47/63/978854763.db2.gz QTRKMZCPSKMMRE-VIFPVBQESA-N -1 0 320.309 -0.497 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1(C(F)F)CC1 ZINC001219632302 978985271 /nfs/dbraw/zinc/98/52/71/978985271.db2.gz COTDRYPHBKUSQU-RQJHMYQMSA-N -1 0 317.296 -0.783 20 0 DBADRM CC(C)C(C)(C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219697166 978996082 /nfs/dbraw/zinc/99/60/82/978996082.db2.gz LEGOYDTVSXPAEF-ZJUUUORDSA-N -1 0 311.386 -0.146 20 0 DBADRM O=C(CCC(F)F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220019435 979066484 /nfs/dbraw/zinc/06/64/84/979066484.db2.gz OCYUWPSVUPSGNI-RQJHMYQMSA-N -1 0 305.285 -0.783 20 0 DBADRM CCN1C[C@H](C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CC1=O ZINC001596394541 1017136968 /nfs/dbraw/zinc/13/69/68/1017136968.db2.gz KCDXYVMSNLEIIP-ZJUUUORDSA-N -1 0 314.338 -0.423 20 0 DBADRM CC(C)C[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220629291 979252391 /nfs/dbraw/zinc/25/23/91/979252391.db2.gz ZGPNLXKBPBTNGA-AXFHLTTASA-N -1 0 311.386 -0.146 20 0 DBADRM O=C(COCC1CC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221314812 979402085 /nfs/dbraw/zinc/40/20/85/979402085.db2.gz PWTVEKMSCSWBHA-VXGBXAGGSA-N -1 0 321.381 -0.030 20 0 DBADRM COC[C@H](C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221439955 979422000 /nfs/dbraw/zinc/42/20/00/979422000.db2.gz MGVOQFMHKHRFOT-HBNTYKKESA-N -1 0 309.370 -0.175 20 0 DBADRM O=C(Cn1cccn1)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001222376909 979509631 /nfs/dbraw/zinc/50/96/31/979509631.db2.gz FBSHPLUKGVYGSH-UHFFFAOYSA-N -1 0 319.369 -0.265 20 0 DBADRM NS(=O)(=O)c1cccc(COC(=O)[C@@H](O)CC(=O)[O-])c1 ZINC001222758613 979526963 /nfs/dbraw/zinc/52/69/63/979526963.db2.gz IWGMBRXAACVORP-VIFPVBQESA-N -1 0 303.292 -0.787 20 0 DBADRM NS(=O)(=O)c1ccc(COC(=O)[C@H](O)CCC(=O)[O-])cc1 ZINC001223016519 979536327 /nfs/dbraw/zinc/53/63/27/979536327.db2.gz WQSCBPQZHPODFR-SNVBAGLBSA-N -1 0 317.319 -0.397 20 0 DBADRM NS(=O)(=O)c1ccc(COC(=O)[C@@H](O)CC(=O)[O-])cc1 ZINC001223015603 979536465 /nfs/dbraw/zinc/53/64/65/979536465.db2.gz QEXMGAOVXQRLPQ-VIFPVBQESA-N -1 0 303.292 -0.787 20 0 DBADRM Cc1nonc1CO[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001223980457 979560990 /nfs/dbraw/zinc/56/09/90/979560990.db2.gz GDBHXZBOGXQTHK-SNVBAGLBSA-N -1 0 321.355 -0.517 20 0 DBADRM CNS(=O)(=O)c1ccc(COC(=O)[C@@H](O)CC(=O)[O-])cc1 ZINC001223999777 979561572 /nfs/dbraw/zinc/56/15/72/979561572.db2.gz WUQDSQNOSZGRSS-JTQLQIEISA-N -1 0 317.319 -0.527 20 0 DBADRM CNS(=O)(=O)c1ccc(COC(=O)[C@H](O)CC(=O)[O-])cc1 ZINC001223999781 979562562 /nfs/dbraw/zinc/56/25/62/979562562.db2.gz WUQDSQNOSZGRSS-SNVBAGLBSA-N -1 0 317.319 -0.527 20 0 DBADRM CC(C)NC(=O)CO[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001224466428 979571582 /nfs/dbraw/zinc/57/15/82/979571582.db2.gz KDRNUVACRFMLDW-LLVKDONJSA-N -1 0 324.399 -0.884 20 0 DBADRM O=C([O-])C[C@H](C(=O)OCCC[NH+]1CCCC1)[C@H](O)C(=O)[O-] ZINC001224751055 979582015 /nfs/dbraw/zinc/58/20/15/979582015.db2.gz VLKQYJBFNRDLKN-ONGXEEELSA-N -1 0 303.311 -0.448 20 0 DBADRM COC(=O)[C@H](CCOC(=O)[C@H](O)CCC(=O)[O-])OC(C)=O ZINC001224837592 979588562 /nfs/dbraw/zinc/58/85/62/979588562.db2.gz NKLVUCQKQRSJGZ-BDAKNGLRSA-N -1 0 306.267 -0.750 20 0 DBADRM O=C([O-])COC[C@H]1COCCOCCOCCOCCO1 ZINC001225024494 979589832 /nfs/dbraw/zinc/58/98/32/979589832.db2.gz SVCORBSSFWKKPO-GFCCVEGCSA-N -1 0 308.327 -0.447 20 0 DBADRM O=C([O-])COC[C@@H]1COCCOCCOCCOCCO1 ZINC001225024495 979591161 /nfs/dbraw/zinc/59/11/61/979591161.db2.gz SVCORBSSFWKKPO-LBPRGKRZSA-N -1 0 308.327 -0.447 20 0 DBADRM CSc1nc2nc(C)cc(OC(=O)[C@H](O)CC(=O)[O-])n2n1 ZINC001225535700 979599584 /nfs/dbraw/zinc/59/95/84/979599584.db2.gz HGLXKRPCCQRPKG-ZCFIWIBFSA-N -1 0 312.307 -0.104 20 0 DBADRM CC1(C)OC[C@H]2OC=C[C@@H](Oc3c([O-])c(=O)c(=O)c3=O)[C@@H]2O1 ZINC001225831027 979608086 /nfs/dbraw/zinc/60/80/86/979608086.db2.gz PHLHQDKVNLMCOC-QHMRUWFYSA-N -1 0 310.258 -0.840 20 0 DBADRM NC(=O)c1ccc(C(F)(F)F)nc1OC(=O)[C@@H](O)CC(=O)[O-] ZINC001225991486 979613575 /nfs/dbraw/zinc/61/35/75/979613575.db2.gz CAKPTYHKQPWMCO-YFKPBYRVSA-N -1 0 322.195 -0.060 20 0 DBADRM CN1CCO[C@@H](COc2[n-]c(=O)nnc2Br)C1=O ZINC001227066725 979657776 /nfs/dbraw/zinc/65/77/76/979657776.db2.gz NZJGHHAMJPUAEQ-YFKPBYRVSA-N -1 0 319.115 -0.424 20 0 DBADRM CC[C@H](CNC(=O)Nc1ncn(CC(=O)N(C)C)n1)C(=O)[O-] ZINC001595154255 979658928 /nfs/dbraw/zinc/65/89/28/979658928.db2.gz MTTWAKPUDYUYML-MRVPVSSYSA-N -1 0 312.330 -0.401 20 0 DBADRM O=c1cc(O)nc(OC[C@H]2COCCOCCOCCO2)[n-]1 ZINC001228387975 979672770 /nfs/dbraw/zinc/67/27/70/979672770.db2.gz DKXKHAMBXFCHDU-SNVBAGLBSA-N -1 0 316.310 -0.285 20 0 DBADRM O=c1cn[n-]c(O[C@H]2CO[C@@H]3[C@H](O[N+](=O)[O-])CO[C@H]23)c1Cl ZINC001228387225 979673644 /nfs/dbraw/zinc/67/36/44/979673644.db2.gz MICIECOLHXNGAK-HIORRCEOSA-N -1 0 319.657 -0.043 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001595159795 979678499 /nfs/dbraw/zinc/67/84/99/979678499.db2.gz LYCQRQLDVKAPDE-BBBLOLIVSA-N -1 0 321.337 -0.397 20 0 DBADRM CC[C@H](CNC(=O)c1ccnc(S(C)(=O)=O)n1)C(=O)[O-] ZINC001595163088 979693178 /nfs/dbraw/zinc/69/31/78/979693178.db2.gz KSEILYBKCFTRFS-SSDOTTSWSA-N -1 0 301.324 -0.279 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NCC1CCS(=O)(=O)CC1 ZINC001326573750 979742532 /nfs/dbraw/zinc/74/25/32/979742532.db2.gz PLGOPEIZPAWLHO-UHFFFAOYSA-N -1 0 306.384 -0.369 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CSCCS1 ZINC001326647002 979751622 /nfs/dbraw/zinc/75/16/22/979751622.db2.gz VSUPVXYYAJPDNW-QMMMGPOBSA-N -1 0 321.424 -0.865 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)c1cnn(C)c1C ZINC001326669036 979752885 /nfs/dbraw/zinc/75/28/85/979752885.db2.gz SBLHVMOGMXMLJL-MRVPVSSYSA-N -1 0 311.342 -0.910 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ncc(CC)s1 ZINC001326680518 979754278 /nfs/dbraw/zinc/75/42/78/979754278.db2.gz KQQXYQPIQSDPIP-UHFFFAOYSA-N -1 0 314.367 -0.494 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCOC(C)(C)[C@@H]1C ZINC001326717232 979760476 /nfs/dbraw/zinc/76/04/76/979760476.db2.gz VCZBCRAYPOIHGE-VIFPVBQESA-N -1 0 301.343 -0.804 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCSC(C)(C)C1 ZINC001326715257 979761296 /nfs/dbraw/zinc/76/12/96/979761296.db2.gz FLLKAHCUJIPPAK-UHFFFAOYSA-N -1 0 303.384 -0.476 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](COC)C1 ZINC001326748727 979762203 /nfs/dbraw/zinc/76/22/03/979762203.db2.gz AHAVSVIRSFARNG-JTQLQIEISA-N -1 0 301.343 -0.945 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)CCc1cccs1 ZINC001326750939 979762280 /nfs/dbraw/zinc/76/22/80/979762280.db2.gz RHPFAFCXUXVCGJ-UHFFFAOYSA-N -1 0 313.379 -0.067 20 0 DBADRM O=C([O-])CCC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC001326969623 979785607 /nfs/dbraw/zinc/78/56/07/979785607.db2.gz AZNBYZJRORDEOJ-UHFFFAOYSA-N -1 0 305.312 -0.925 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccc(F)cc1 ZINC001327038827 979789245 /nfs/dbraw/zinc/78/92/45/979789245.db2.gz RHASWOSEIAKQIH-UHFFFAOYSA-N -1 0 311.313 -0.032 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@@H](C(C)C)C1 ZINC001327038862 979789251 /nfs/dbraw/zinc/78/92/51/979789251.db2.gz SLSPVGANRVVEBP-SNVBAGLBSA-N -1 0 301.343 -0.946 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CC)C[C@@H]1CCOC1 ZINC001327038037 979789324 /nfs/dbraw/zinc/78/93/24/979789324.db2.gz KPPBUHOYKRQGAM-JTQLQIEISA-N -1 0 301.343 -0.945 20 0 DBADRM COC/C=C\C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001330610132 979827087 /nfs/dbraw/zinc/82/70/87/979827087.db2.gz BXOJOUGWYDYTGO-MXQLGCADSA-N -1 0 315.351 -0.148 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)NCCCCC(=O)[O-])n1 ZINC001330848702 979840195 /nfs/dbraw/zinc/84/01/95/979840195.db2.gz GOZXFLLPXIRTHR-UHFFFAOYSA-N -1 0 311.342 -0.406 20 0 DBADRM O=C(NCc1nnnn1CC1CC1)c1c[n-]n2c1nccc2=O ZINC001331121006 979857955 /nfs/dbraw/zinc/85/79/55/979857955.db2.gz PBWAZDYTZRRCDC-UHFFFAOYSA-N -1 0 314.309 -0.651 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@H](C)SC)C1 ZINC001331493883 979882599 /nfs/dbraw/zinc/88/25/99/979882599.db2.gz SULYSXPKKNRSSC-TVQRCGJNSA-N -1 0 318.395 -0.196 20 0 DBADRM COc1ccc(CCNC(=O)C(=O)[N-]OC2CCOCC2)cn1 ZINC001331509993 979884570 /nfs/dbraw/zinc/88/45/70/979884570.db2.gz FTIKMOXCQDYUFX-UHFFFAOYSA-N -1 0 323.349 -0.024 20 0 DBADRM C[C@H](C[C@H]1CCOC1)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001343036033 979917524 /nfs/dbraw/zinc/91/75/24/979917524.db2.gz APQGMTLVAKZQDT-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccc(-c2cnco2)c1 ZINC001343378157 979942970 /nfs/dbraw/zinc/94/29/70/979942970.db2.gz UUCZFCOULPXKTJ-UHFFFAOYSA-N -1 0 304.262 -0.187 20 0 DBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCc1nc(=O)o[n-]1 ZINC001344089589 979976398 /nfs/dbraw/zinc/97/63/98/979976398.db2.gz IZNUHXQIKOHOQT-UHFFFAOYSA-N -1 0 319.277 -0.516 20 0 DBADRM O=C(NCCCN1CCOCC1)c1c[n-]n2c1nccc2=O ZINC001344783452 980011210 /nfs/dbraw/zinc/01/12/10/980011210.db2.gz DMWPSIBQRHUDCQ-UHFFFAOYSA-N -1 0 305.338 -0.525 20 0 DBADRM COC[C@@H]1CC[C@H]([C@H]2COCCN2CCOCC(=O)[O-])O1 ZINC001345137327 980033187 /nfs/dbraw/zinc/03/31/87/980033187.db2.gz LLFYDWOIJFBHOM-YNEHKIRRSA-N -1 0 303.355 -0.018 20 0 DBADRM CC(=O)N(C)C1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001345991978 980107234 /nfs/dbraw/zinc/10/72/34/980107234.db2.gz XHXWDKAEUGJEIA-UHFFFAOYSA-N -1 0 313.354 -0.563 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC001346370693 980135501 /nfs/dbraw/zinc/13/55/01/980135501.db2.gz NUUZETNKFMDRKW-IUCAKERBSA-N -1 0 301.343 -0.758 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCC[C@@H](SC)C1 ZINC001346370595 980135879 /nfs/dbraw/zinc/13/58/79/980135879.db2.gz NCGWOSHNTVMQSJ-VHSXEESVSA-N -1 0 317.411 -0.039 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCc2ncsc2C1 ZINC001346416160 980141666 /nfs/dbraw/zinc/14/16/66/980141666.db2.gz TZVRDAHKKYMVAS-UHFFFAOYSA-N -1 0 312.351 -0.788 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccn(CC)c1 ZINC001346415566 980141974 /nfs/dbraw/zinc/14/19/74/980141974.db2.gz PNSZJHRELUGSDQ-UHFFFAOYSA-N -1 0 310.354 -0.350 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H]1c1nncn1C)C(=O)[O-] ZINC001346513939 980147891 /nfs/dbraw/zinc/14/78/91/980147891.db2.gz FJHLNCSJAIPINH-BDAKNGLRSA-N -1 0 309.326 -0.685 20 0 DBADRM COC(=O)N1CCC(NC(=O)C(=O)[N-]OCCSC)CC1 ZINC001346669954 980161749 /nfs/dbraw/zinc/16/17/49/980161749.db2.gz MADWEKRGWAKNJG-UHFFFAOYSA-N -1 0 319.383 -0.256 20 0 DBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001346806558 980172613 /nfs/dbraw/zinc/17/26/13/980172613.db2.gz AJKMJVFZGFLCTH-JTQLQIEISA-N -1 0 316.354 -0.083 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)n1 ZINC001347061582 980193945 /nfs/dbraw/zinc/19/39/45/980193945.db2.gz RFEVESSQSLGSSL-UHFFFAOYSA-N -1 0 323.353 -0.465 20 0 DBADRM CN1CCC[C@@H](C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)C1=O ZINC001347307436 980212935 /nfs/dbraw/zinc/21/29/35/980212935.db2.gz SETNODMIZKKJBB-WDEREUQCSA-N -1 0 306.370 -0.151 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](C(=O)[N-]OCC(N)=O)C(C)(C)O ZINC001347492636 980226661 /nfs/dbraw/zinc/22/66/61/980226661.db2.gz PBHSWIYGJGGQNW-MRVPVSSYSA-N -1 0 305.331 -0.816 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC001347651688 980238802 /nfs/dbraw/zinc/23/88/02/980238802.db2.gz CSQYBVQOFXSUDT-ZJUUUORDSA-N -1 0 301.343 -0.804 20 0 DBADRM CS(=O)(=O)C[C@@H](C(=O)[N-]OCC(N)=O)c1ccccc1 ZINC001347741833 980246462 /nfs/dbraw/zinc/24/64/62/980246462.db2.gz DNYCEHRYQVSSTI-SNVBAGLBSA-N -1 0 300.336 -0.652 20 0 DBADRM O=C(CC1CCCC1)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001348370334 980295454 /nfs/dbraw/zinc/29/54/54/980295454.db2.gz QXOYOWOPUUFYSY-UHFFFAOYSA-N -1 0 311.342 -0.498 20 0 DBADRM Cc1cccc(C(=O)NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001348391705 980296995 /nfs/dbraw/zinc/29/69/95/980296995.db2.gz DOXQKLONWZAULU-UHFFFAOYSA-N -1 0 319.321 -0.456 20 0 DBADRM CCO[C@H](C)C(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001348527456 980316486 /nfs/dbraw/zinc/31/64/86/980316486.db2.gz LWMFLKLTPAXTHM-SECBINFHSA-N -1 0 321.337 -0.706 20 0 DBADRM Cc1[nH]ccc1C(=O)NCCNC(=O)c1cnc([O-])n(C)c1=O ZINC001348744085 980357176 /nfs/dbraw/zinc/35/71/76/980357176.db2.gz NLMXUXVILVVICT-UHFFFAOYSA-N -1 0 319.321 -0.718 20 0 DBADRM CCn1ncc(C(=O)NCCNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001348789797 980362895 /nfs/dbraw/zinc/36/28/95/980362895.db2.gz WNYHOOVLVNWVPI-UHFFFAOYSA-N -1 0 307.314 -0.805 20 0 DBADRM CC(C)[C@@H](F)C(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001349017422 980397841 /nfs/dbraw/zinc/39/78/41/980397841.db2.gz TYVFRXPWTSSBAK-LLVKDONJSA-N -1 0 323.328 -0.137 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H](F)C2)CCO1 ZINC001349355522 980458200 /nfs/dbraw/zinc/45/82/00/980458200.db2.gz NSOVTNPURMGCQX-AEJSXWLSSA-N -1 0 302.302 -0.305 20 0 DBADRM CC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@@H](O)C(F)(F)F ZINC001595307116 980464125 /nfs/dbraw/zinc/46/41/25/980464125.db2.gz VWDGYTCULIUMQS-POYBYMJQSA-N -1 0 322.305 -0.071 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cnc2c(cnn2C)c1 ZINC001349564739 980485719 /nfs/dbraw/zinc/48/57/19/980485719.db2.gz TYALOVGTJJGRHH-UHFFFAOYSA-N -1 0 313.339 -0.686 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)C1CCC(CO)CC1 ZINC001349753003 980504532 /nfs/dbraw/zinc/50/45/32/980504532.db2.gz JEZXSKDSZCBKPB-UHFFFAOYSA-N -1 0 315.370 -0.820 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001349755843 980506092 /nfs/dbraw/zinc/50/60/92/980506092.db2.gz VJBYSZBNOMUPFT-KOLCDFICSA-N -1 0 313.354 -0.804 20 0 DBADRM C[C@@]12COC[C@]1(C)CN(C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C2 ZINC001349957773 980526849 /nfs/dbraw/zinc/52/68/49/980526849.db2.gz FQBHGGIJXFOIRN-LMHVJCSRSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N[C@@H](CO)CC(F)F ZINC001350312142 980559364 /nfs/dbraw/zinc/55/93/64/980559364.db2.gz AQTGTPOWGTUMOJ-ZCFIWIBFSA-N -1 0 317.248 -0.149 20 0 DBADRM CC(C)[C@H](F)C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001350322089 980559491 /nfs/dbraw/zinc/55/94/91/980559491.db2.gz KTWFGUFAQYKDMP-ZETCQYMHSA-N -1 0 315.305 -0.487 20 0 DBADRM O=C([O-])[C@@H](C(=O)N1CCN(CC(=O)N2CCCC2)CC1)C1CC1 ZINC001350422204 980571158 /nfs/dbraw/zinc/57/11/58/980571158.db2.gz HXKYWMCKWQQRTF-CQSZACIVSA-N -1 0 323.393 -0.136 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1cccc(CS(N)(=O)=O)c1 ZINC001350421267 980571195 /nfs/dbraw/zinc/57/11/95/980571195.db2.gz DQSFEFITGYSRLJ-LBPRGKRZSA-N -1 0 316.335 -0.097 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@](C)(CCF)C(=O)[O-])nn1 ZINC001595332538 980580305 /nfs/dbraw/zinc/58/03/05/980580305.db2.gz XDKZXPGFFUDTBT-PRHODGIISA-N -1 0 302.306 -0.018 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@@](C)(CCF)C(=O)[O-])nn1 ZINC001595332537 980580322 /nfs/dbraw/zinc/58/03/22/980580322.db2.gz XDKZXPGFFUDTBT-PELKAZGASA-N -1 0 302.306 -0.018 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@](C)(CCF)C(=O)[O-])nn1 ZINC001595332539 980580410 /nfs/dbraw/zinc/58/04/10/980580410.db2.gz XDKZXPGFFUDTBT-QPUJVOFHSA-N -1 0 302.306 -0.018 20 0 DBADRM CC[C@@H](OC(=O)C1CCN(S(=O)(=O)NC)CC1)C(=O)[O-] ZINC001595336932 980597284 /nfs/dbraw/zinc/59/72/84/980597284.db2.gz MEWAABXSXGHUAF-SECBINFHSA-N -1 0 308.356 -0.431 20 0 DBADRM CC[C@H](C)C(=O)NCc1nc(CNCC(=O)NC)cc(=O)[nH]1 ZINC001489071094 1014669598 /nfs/dbraw/zinc/66/95/98/1014669598.db2.gz RQANTGPWVGEXLT-VIFPVBQESA-N -1 0 309.370 -0.320 20 0 DBADRM O=C(CCCCN1CCOCC1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001350835865 980606649 /nfs/dbraw/zinc/60/66/49/980606649.db2.gz BGRPLZNJSHARKV-LBPRGKRZSA-N -1 0 324.385 -0.398 20 0 DBADRM CC(C)=CC(=O)N[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001351109723 980626086 /nfs/dbraw/zinc/62/60/86/980626086.db2.gz VYBGNHLUASGZGE-JTQLQIEISA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001351200597 980632188 /nfs/dbraw/zinc/63/21/88/980632188.db2.gz ZSOBYSJZJWEKQS-DTWKUNHWSA-N -1 0 311.342 -0.690 20 0 DBADRM CC(C)=CC(=O)NCCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001351208833 980634407 /nfs/dbraw/zinc/63/44/07/980634407.db2.gz VGKCXLKDHJJTJV-UHFFFAOYSA-N -1 0 311.342 -0.380 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)Cc1ccc(C)s1 ZINC001351300904 980639565 /nfs/dbraw/zinc/63/95/65/980639565.db2.gz HNBACXXPBRIQNL-QMMMGPOBSA-N -1 0 313.379 -0.102 20 0 DBADRM CCC[C@H](C)C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001530382007 1014675038 /nfs/dbraw/zinc/67/50/38/1014675038.db2.gz PEDPWGIRRXRSTD-VIFPVBQESA-N -1 0 322.365 -0.137 20 0 DBADRM CCCN(C)C(=O)C(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001351734366 980686186 /nfs/dbraw/zinc/68/61/86/980686186.db2.gz DKGWPHJLOWCBTK-SNVBAGLBSA-N -1 0 307.354 -0.255 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC001352361216 980722615 /nfs/dbraw/zinc/72/26/15/980722615.db2.gz UBAWEAVEYSBEOY-SCZZXKLOSA-N -1 0 313.314 -0.425 20 0 DBADRM CCC(=O)NCC1(CCNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001489082989 1014677336 /nfs/dbraw/zinc/67/73/36/1014677336.db2.gz OODBTGSDWXEYKA-UHFFFAOYSA-N -1 0 311.342 -0.498 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)/C=C(/C)CN1CCOCC1 ZINC001354038275 980830290 /nfs/dbraw/zinc/83/02/90/980830290.db2.gz CIQALMRLGIBZMQ-XFXZXTDPSA-N -1 0 300.355 -0.176 20 0 DBADRM CC1(O)CCC(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)CC1 ZINC001354514427 980856235 /nfs/dbraw/zinc/85/62/35/980856235.db2.gz ONOGNPOZKUTMPO-CDWSIMAYSA-N -1 0 300.355 -0.120 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H]1c1ccc(F)cc1 ZINC001354966370 980880834 /nfs/dbraw/zinc/88/08/34/980880834.db2.gz FTHDXZBVSGRYSE-LLVKDONJSA-N -1 0 309.297 -0.107 20 0 DBADRM CCC1(c2ccccc2)CN(C(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001354969012 980880875 /nfs/dbraw/zinc/88/08/75/980880875.db2.gz QWJPJNFBBWWZDV-UHFFFAOYSA-N -1 0 319.361 -0.030 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC001355895528 980917106 /nfs/dbraw/zinc/91/71/06/980917106.db2.gz HSISLJYPOJUOGG-HQJQHLMTSA-N -1 0 320.300 -0.400 20 0 DBADRM CN(C)C(=O)CC(=O)NCC1(NC(=O)c2cn[nH]n2)CCCC1 ZINC001356939671 981015662 /nfs/dbraw/zinc/01/56/62/981015662.db2.gz LAFKITKCVGMFQL-UHFFFAOYSA-N -1 0 322.369 -0.558 20 0 DBADRM CC(C)CC(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001357521878 981066235 /nfs/dbraw/zinc/06/62/35/981066235.db2.gz UYAKAAVEWFCMOW-ARJAWSKDSA-N -1 0 309.326 -0.269 20 0 DBADRM O=C(CC1CCC1)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001357696423 981084331 /nfs/dbraw/zinc/08/43/31/981084331.db2.gz OLZZKKVDFGGIKS-UPHRSURJSA-N -1 0 321.337 -0.125 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)Cc2c[nH]cn2)c1[O-] ZINC001357733219 981086636 /nfs/dbraw/zinc/08/66/36/981086636.db2.gz VJSGJVKDRFJJPE-IHWYPQMZSA-N -1 0 318.337 -0.208 20 0 DBADRM C[C@@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001358532444 981136883 /nfs/dbraw/zinc/13/68/83/981136883.db2.gz GKBABJAPJDWXJR-OUAUKWLOSA-N -1 0 322.365 -0.796 20 0 DBADRM C/C=C(\C)C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001358596196 981147134 /nfs/dbraw/zinc/14/71/34/981147134.db2.gz CJBPCERRIICGNE-IPQKIJNHSA-N -1 0 309.326 -0.627 20 0 DBADRM C/C=C(\C)C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001358596198 981147431 /nfs/dbraw/zinc/14/74/31/981147431.db2.gz CJBPCERRIICGNE-QZGLAHODSA-N -1 0 309.326 -0.627 20 0 DBADRM C/C=C(\C)C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001358681059 981169241 /nfs/dbraw/zinc/16/92/41/981169241.db2.gz PRSAOVJMVBKYOG-FPYGCLRLSA-N -1 0 309.326 -0.580 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCCn3nnnc32)cc1=O ZINC001361394466 981224284 /nfs/dbraw/zinc/22/42/84/981224284.db2.gz ZLHVPGNLCXVUBE-UHFFFAOYSA-N -1 0 305.342 -0.202 20 0 DBADRM C[C@@H]1Cn2ncnc2N(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001361603775 981271489 /nfs/dbraw/zinc/27/14/89/981271489.db2.gz GBAMNQUZDJYCFB-QMMMGPOBSA-N -1 0 314.309 -0.654 20 0 DBADRM CCCN(C(=O)CCCc1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC001361623454 981279214 /nfs/dbraw/zinc/27/92/14/981279214.db2.gz PCTWFNNRDFMSAT-SNVBAGLBSA-N -1 0 315.399 -0.052 20 0 DBADRM CNC(=O)c1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)c(C)c1 ZINC001361648653 981288451 /nfs/dbraw/zinc/28/84/51/981288451.db2.gz AEAWWAYAWQVVLZ-UHFFFAOYSA-N -1 0 305.294 -0.004 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCCS(N)(=O)=O)c1 ZINC001361656620 981290080 /nfs/dbraw/zinc/29/00/80/981290080.db2.gz ADEHUWFNQGCAAH-IBGZPJMESA-N -1 0 320.392 -0.793 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2nnn[n-]2)C1 ZINC001361665919 981293411 /nfs/dbraw/zinc/29/34/11/981293411.db2.gz CVYRBAYLVPHZQB-MRVPVSSYSA-N -1 0 302.360 -0.776 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)c2nnn[n-]2)C1 ZINC001361665920 981294000 /nfs/dbraw/zinc/29/40/00/981294000.db2.gz CVYRBAYLVPHZQB-QMMMGPOBSA-N -1 0 302.360 -0.776 20 0 DBADRM CCCNC(=O)CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001361670162 981294831 /nfs/dbraw/zinc/29/48/31/981294831.db2.gz FYTKQKUZORHRPT-UHFFFAOYSA-N -1 0 317.353 -0.279 20 0 DBADRM O=C(NCCS(=O)(=O)NCC1CCC1)c1c[n-]ncc1=O ZINC001361758856 981314604 /nfs/dbraw/zinc/31/46/04/981314604.db2.gz BLFXRBDMCPAENJ-UHFFFAOYSA-N -1 0 314.367 -0.369 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCO[C@H](c3nnn[n-]3)C1)CC2 ZINC001361779643 981320758 /nfs/dbraw/zinc/32/07/58/981320758.db2.gz AVAVWIJGPSBDHG-KCJUWKMLSA-N -1 0 318.341 -0.967 20 0 DBADRM CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)(C)C(=O)OC ZINC001361786955 981322916 /nfs/dbraw/zinc/32/29/16/981322916.db2.gz XUAPZTCPMRWYMF-UHFFFAOYSA-N -1 0 321.337 -0.129 20 0 DBADRM COCCn1ncc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1C ZINC001361785001 981323747 /nfs/dbraw/zinc/32/37/47/981323747.db2.gz QMXDPCFTBAYSPQ-LLVKDONJSA-N -1 0 321.341 -0.435 20 0 DBADRM NC(=O)CN(C(=O)c1c[n-]n2c1nccc2=O)C1CCCC1 ZINC001361799148 981327559 /nfs/dbraw/zinc/32/75/59/981327559.db2.gz OZYYMURWKJOIPG-UHFFFAOYSA-N -1 0 303.322 -0.107 20 0 DBADRM Cc1noc([C@@H]2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001361831835 981336473 /nfs/dbraw/zinc/33/64/73/981336473.db2.gz ADYXRBZXSSVGIN-MRVPVSSYSA-N -1 0 308.298 -0.213 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001361835031 981337647 /nfs/dbraw/zinc/33/76/47/981337647.db2.gz UKTKFCMEADVCFF-SSDOTTSWSA-N -1 0 318.355 -0.887 20 0 DBADRM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001361870876 981346521 /nfs/dbraw/zinc/34/65/21/981346521.db2.gz NYJGJWSESSYVGN-RKDXNWHRSA-N -1 0 311.342 -0.548 20 0 DBADRM CCCNC(=O)[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001361879007 981347986 /nfs/dbraw/zinc/34/79/86/981347986.db2.gz ZBYPQKAMLDLLCV-SECBINFHSA-N -1 0 311.342 -0.546 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCc1nnc2n1CCCCC2 ZINC001361891592 981351715 /nfs/dbraw/zinc/35/17/15/981351715.db2.gz REZUZDIHIVSXQL-UHFFFAOYSA-N -1 0 321.341 -0.634 20 0 DBADRM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)c1nnn[n-]1 ZINC001361907689 981355789 /nfs/dbraw/zinc/35/57/89/981355789.db2.gz SIKWESXPJCZJNR-VIFPVBQESA-N -1 0 316.387 -0.243 20 0 DBADRM COC(=O)CC(C)(C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001361912224 981357041 /nfs/dbraw/zinc/35/70/41/981357041.db2.gz HVKUYYJHTDSBNR-UHFFFAOYSA-N -1 0 300.315 -0.073 20 0 DBADRM Cc1nc(C)c(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)c(=O)[nH]1 ZINC001361921745 981360754 /nfs/dbraw/zinc/36/07/54/981360754.db2.gz GMIFIPCDCRLXAK-JTQLQIEISA-N -1 0 319.325 -0.545 20 0 DBADRM CC1(C)OCC(C)(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CO1 ZINC001361921621 981360902 /nfs/dbraw/zinc/36/09/02/981360902.db2.gz FUYKHSWWFFCTGJ-VIFPVBQESA-N -1 0 311.342 -0.111 20 0 DBADRM Cc1nc(C)c(CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c(=O)[nH]1 ZINC001361921750 981361279 /nfs/dbraw/zinc/36/12/79/981361279.db2.gz GMIFIPCDCRLXAK-SNVBAGLBSA-N -1 0 319.325 -0.545 20 0 DBADRM O=C(CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCCc1ccccc1 ZINC001361925725 981362740 /nfs/dbraw/zinc/36/27/40/981362740.db2.gz XYMBPBUXKBOVDU-UHFFFAOYSA-N -1 0 319.321 -0.836 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001361929639 981363258 /nfs/dbraw/zinc/36/32/58/981363258.db2.gz VXRIHUOBXIKFIT-JTQLQIEISA-N -1 0 320.353 -0.991 20 0 DBADRM CCC(CC)(CC(=O)OC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001361970986 981375344 /nfs/dbraw/zinc/37/53/44/981375344.db2.gz OCNKSOWIQNMUJS-UHFFFAOYSA-N -1 0 300.315 -0.073 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)c2c[n-]ncc2=O)C1 ZINC001361971654 981376051 /nfs/dbraw/zinc/37/60/51/981376051.db2.gz URYRKSHBMQIFQI-QMMMGPOBSA-N -1 0 300.340 -0.664 20 0 DBADRM CN(C1CCN(C(=O)CCc2nnn[n-]2)CC1)S(C)(=O)=O ZINC001361973379 981376915 /nfs/dbraw/zinc/37/69/15/981376915.db2.gz FZRRICRNDPUUGM-UHFFFAOYSA-N -1 0 316.387 -0.985 20 0 DBADRM COC(=O)[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1cccs1 ZINC001361992239 981380826 /nfs/dbraw/zinc/38/08/26/981380826.db2.gz CUHZRYZLEUDBAM-MRVPVSSYSA-N -1 0 312.307 -0.219 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1cccs1 ZINC001361992252 981381793 /nfs/dbraw/zinc/38/17/93/981381793.db2.gz CUHZRYZLEUDBAM-QMMMGPOBSA-N -1 0 312.307 -0.219 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCCC(=O)Nc1ccncc1 ZINC001362033451 981393459 /nfs/dbraw/zinc/39/34/59/981393459.db2.gz UFEKPEFSQVMRTJ-UHFFFAOYSA-N -1 0 303.326 -0.516 20 0 DBADRM CN(C)C(=O)c1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC001362038611 981394454 /nfs/dbraw/zinc/39/44/54/981394454.db2.gz JKADAARCCZAQEC-UHFFFAOYSA-N -1 0 317.305 -0.085 20 0 DBADRM CCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001362047393 981398556 /nfs/dbraw/zinc/39/85/56/981398556.db2.gz OBCJVEXQKRYUTA-MRVPVSSYSA-N -1 0 318.355 -0.885 20 0 DBADRM CN(C)[C@@]1(C(=O)NCc2nnn[n-]2)COc2ccccc2C1 ZINC001362047343 981399179 /nfs/dbraw/zinc/39/91/79/981399179.db2.gz YUWFQVKTWHAWGN-CQSZACIVSA-N -1 0 302.338 -0.249 20 0 DBADRM CN1C[C@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1=O ZINC001362053459 981400250 /nfs/dbraw/zinc/40/02/50/981400250.db2.gz KMUFZRBBHHPRIW-SECBINFHSA-N -1 0 301.310 -0.965 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001362056147 981401673 /nfs/dbraw/zinc/40/16/73/981401673.db2.gz FPNKFWLNHTZWLJ-SSDOTTSWSA-N -1 0 314.323 -0.926 20 0 DBADRM O=C(c1cc2n(n1)CCC[C@@H]2O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362058574 981403768 /nfs/dbraw/zinc/40/37/68/981403768.db2.gz CLDHXRRCKUODJQ-QWRGUYRKSA-N -1 0 319.325 -0.563 20 0 DBADRM CCCOC(=O)CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362064265 981406762 /nfs/dbraw/zinc/40/67/62/981406762.db2.gz HSWZRQCDAIAZOP-UHFFFAOYSA-N -1 0 300.315 -0.071 20 0 DBADRM C[C@H](CC(=O)OC(C)(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362066723 981408134 /nfs/dbraw/zinc/40/81/34/981408134.db2.gz WPMPQEOWVGXREH-SSDOTTSWSA-N -1 0 300.315 -0.074 20 0 DBADRM COC(=O)C[C@H](C)N1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001362068049 981408453 /nfs/dbraw/zinc/40/84/53/981408453.db2.gz PUALDMOTOIXPSP-NSHDSACASA-N -1 0 324.385 -0.382 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCCS(=O)(=O)CC1 ZINC001362073180 981410018 /nfs/dbraw/zinc/41/00/18/981410018.db2.gz POIVPGCROHUEHQ-UHFFFAOYSA-N -1 0 306.369 -0.751 20 0 DBADRM Cc1ccnc(N2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)c1 ZINC001362082359 981412393 /nfs/dbraw/zinc/41/23/93/981412393.db2.gz NNIOUPCSHZVXKJ-UHFFFAOYSA-N -1 0 316.321 -0.051 20 0 DBADRM C[C@@H](CCNC(=O)CCCn1c(=O)[n-][nH]c1=O)[S@@](C)=O ZINC001362086087 981413418 /nfs/dbraw/zinc/41/34/18/981413418.db2.gz XRRLYAWKDDZGRE-FFVOIRBGSA-N -1 0 304.372 -0.257 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2c[n-]ncc2=O)C1 ZINC001362098526 981420356 /nfs/dbraw/zinc/42/03/56/981420356.db2.gz XDTJZRDJKWTGCX-MRVPVSSYSA-N -1 0 300.340 -0.664 20 0 DBADRM COCCN1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001362116748 981425789 /nfs/dbraw/zinc/42/57/89/981425789.db2.gz DTEHUCRUQAFOPT-UHFFFAOYSA-N -1 0 301.372 -0.607 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NC(C)(C)C(N)=O)cc2=O)n1 ZINC001362130644 981432522 /nfs/dbraw/zinc/43/25/22/981432522.db2.gz AFFBTXGFNWUKPZ-UHFFFAOYSA-N -1 0 318.337 -0.434 20 0 DBADRM Cc1noc([C@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001362139621 981436173 /nfs/dbraw/zinc/43/61/73/981436173.db2.gz WJNABNAYOVHNLV-ZETCQYMHSA-N -1 0 306.282 -0.006 20 0 DBADRM CC(C)(C)OC(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001362144736 981437240 /nfs/dbraw/zinc/43/72/40/981437240.db2.gz FEOWHIYWUBAZMK-UHFFFAOYSA-N -1 0 313.314 -0.575 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(=O)N(Cc2ccccc2)C1 ZINC001362158382 981444298 /nfs/dbraw/zinc/44/42/98/981444298.db2.gz ZOTHIKQYDHPXSW-UHFFFAOYSA-N -1 0 317.305 -0.482 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362194159 981455964 /nfs/dbraw/zinc/45/59/64/981455964.db2.gz BZIOWFVCJWXYFP-IUCAKERBSA-N -1 0 300.315 -0.922 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCCN(C(N)=O)CC2)cc1=O ZINC001362204360 981459579 /nfs/dbraw/zinc/45/95/79/981459579.db2.gz MVGDPMSTEWSEHY-UHFFFAOYSA-N -1 0 323.397 -0.012 20 0 DBADRM CCC[C@@H](NC(=O)c1cc(C(=O)OC)nn1C)c1nnn[n-]1 ZINC001362212526 981463566 /nfs/dbraw/zinc/46/35/66/981463566.db2.gz YITRGUZOLFMWEI-SSDOTTSWSA-N -1 0 307.314 -0.009 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NCC[S@](C)=O)cc2=O)n1 ZINC001362232771 981471948 /nfs/dbraw/zinc/47/19/48/981471948.db2.gz CKIDEGURWSROMM-QFIPXVFZSA-N -1 0 323.378 -0.319 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)c1c[n-]ncc1=O)CC2 ZINC001362230738 981472873 /nfs/dbraw/zinc/47/28/73/981472873.db2.gz KRISLCVZEIIHBI-MRVPVSSYSA-N -1 0 304.310 -0.335 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC001362232407 981473191 /nfs/dbraw/zinc/47/31/91/981473191.db2.gz BQNKCNSKPLQXOQ-UHFFFAOYSA-N -1 0 316.383 -0.080 20 0 DBADRM C[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)[C@H]1CN(C)CCO1 ZINC001362240638 981475861 /nfs/dbraw/zinc/47/58/61/981475861.db2.gz YZJQNKHDNGNMOA-HTQZYQBOSA-N -1 0 301.372 -0.562 20 0 DBADRM CCOC(=O)c1csc(NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001362240443 981477149 /nfs/dbraw/zinc/47/71/49/981477149.db2.gz VKUYKHAMQRCWST-UHFFFAOYSA-N -1 0 313.295 -0.039 20 0 DBADRM COC[C@@](C)(NC(=O)CSc1n[nH]c(=O)[n-]1)C(=O)OC ZINC001362242006 981477632 /nfs/dbraw/zinc/47/76/32/981477632.db2.gz GVSPNHVVBRMPHY-SNVBAGLBSA-N -1 0 304.328 -0.703 20 0 DBADRM COC[C@](C)(NC(=O)CSc1n[nH]c(=O)[n-]1)C(=O)OC ZINC001362242000 981478602 /nfs/dbraw/zinc/47/86/02/981478602.db2.gz GVSPNHVVBRMPHY-JTQLQIEISA-N -1 0 304.328 -0.703 20 0 DBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)c1c[n-]ncc1=O ZINC001362258569 981486287 /nfs/dbraw/zinc/48/62/87/981486287.db2.gz ZVYVUMWTISWRLP-VIFPVBQESA-N -1 0 303.365 -0.258 20 0 DBADRM Cn1c(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)nnc1C1CC1 ZINC001362267576 981489565 /nfs/dbraw/zinc/48/95/65/981489565.db2.gz JIZGBTKFJTWLAG-UHFFFAOYSA-N -1 0 321.341 -0.208 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC001362277096 981494000 /nfs/dbraw/zinc/49/40/00/981494000.db2.gz NFLGVYBRJYCSFF-VIFPVBQESA-N -1 0 309.326 -0.697 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001362282944 981496092 /nfs/dbraw/zinc/49/60/92/981496092.db2.gz GBSVJJQWUBUXBK-SECBINFHSA-N -1 0 306.326 -0.134 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)c2c[n-]ncc2=O)C1 ZINC001362289337 981499444 /nfs/dbraw/zinc/49/94/44/981499444.db2.gz BCAYLKUDHMPBHZ-QMMMGPOBSA-N -1 0 300.340 -0.807 20 0 DBADRM COC[C@H](O)CCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362291000 981499772 /nfs/dbraw/zinc/49/97/72/981499772.db2.gz IGSIZLQIQXVHMX-LLVKDONJSA-N -1 0 322.321 -0.607 20 0 DBADRM C[C@H](CN(C)C(=O)c1cn(C(F)(F)CO)nn1)c1nnn[n-]1 ZINC001362297358 981502016 /nfs/dbraw/zinc/50/20/16/981502016.db2.gz DRDYADHUBWMCPY-ZCFIWIBFSA-N -1 0 316.272 -0.792 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)ncc1C(N)=O ZINC001362300961 981504684 /nfs/dbraw/zinc/50/46/84/981504684.db2.gz QIQMUOYIPKPGTD-MRVPVSSYSA-N -1 0 303.326 -0.122 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001362298809 981504733 /nfs/dbraw/zinc/50/47/33/981504733.db2.gz TUJWQZKVWQLZRB-UWVGGRQHSA-N -1 0 323.353 -0.261 20 0 DBADRM CN(CCc1cnccn1)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362306874 981507352 /nfs/dbraw/zinc/50/73/52/981507352.db2.gz YDXQNYGNYJHCIB-UHFFFAOYSA-N -1 0 306.326 -0.039 20 0 DBADRM C[C@@H](O)C[C@@H]1COCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362327786 981515163 /nfs/dbraw/zinc/51/51/63/981515163.db2.gz UADASERHHIDHSG-HTQZYQBOSA-N -1 0 302.356 -0.399 20 0 DBADRM C[C@H](CN(C)C(=O)c1cn([C@@H]2CC[C@H]2O)nn1)c1nnn[n-]1 ZINC001362330440 981517023 /nfs/dbraw/zinc/51/70/23/981517023.db2.gz YDEWNMZHQKYEQG-SZEHBUNVSA-N -1 0 306.330 -0.637 20 0 DBADRM CSC[C@@](C)(O)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362335677 981519684 /nfs/dbraw/zinc/51/96/84/981519684.db2.gz GVOOYFBSNJUSES-NSHDSACASA-N -1 0 304.372 -0.300 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362353234 981526396 /nfs/dbraw/zinc/52/63/96/981526396.db2.gz WJPLPRRPGTXDCZ-QSIZCVBASA-N -1 0 324.362 -0.237 20 0 DBADRM O=C(Cc1nnc(C2CCOCC2)[nH]1)NCc1nc(=O)o[n-]1 ZINC001362351813 981526859 /nfs/dbraw/zinc/52/68/59/981526859.db2.gz RWBLLFHCIUIGLU-UHFFFAOYSA-N -1 0 308.298 -0.766 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362353190 981526988 /nfs/dbraw/zinc/52/69/88/981526988.db2.gz WJPLPRRPGTXDCZ-CWMRNNLJSA-N -1 0 324.362 -0.237 20 0 DBADRM O=C(NC1CCN([C@@H]2CCOC2=O)CC1)c1cc(=O)[nH]cn1 ZINC001362355064 981528092 /nfs/dbraw/zinc/52/80/92/981528092.db2.gz YDXPKMVBMYKSMA-LLVKDONJSA-N -1 0 306.322 -0.308 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001362357833 981529517 /nfs/dbraw/zinc/52/95/17/981529517.db2.gz PQOYBXCQVOSSLJ-JTQLQIEISA-N -1 0 321.293 -0.380 20 0 DBADRM O=C(CCn1cnccc1=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362370971 981536008 /nfs/dbraw/zinc/53/60/08/981536008.db2.gz XEEPHDGMRYSUPG-VIFPVBQESA-N -1 0 321.366 -0.537 20 0 DBADRM O=C(NC[C@@H](CO)[C@@H]1CCOC1)c1ccc(-c2nn[nH]n2)cn1 ZINC001362382275 981540137 /nfs/dbraw/zinc/54/01/37/981540137.db2.gz BDTZMOAKUDESHP-MNOVXSKESA-N -1 0 318.337 -0.364 20 0 DBADRM COC(=O)C[C@H](C)CC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362384101 981541892 /nfs/dbraw/zinc/54/18/92/981541892.db2.gz CHNCNZVMRLDONO-SECBINFHSA-N -1 0 311.342 -0.401 20 0 DBADRM CCCc1n[nH]cc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362389848 981542939 /nfs/dbraw/zinc/54/29/39/981542939.db2.gz SBIQKXUMRYCOMY-UHFFFAOYSA-N -1 0 305.342 -0.001 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCO[C@@]2(CCOC2)C1 ZINC001362390506 981544036 /nfs/dbraw/zinc/54/40/36/981544036.db2.gz DSYUXPYCDGULTA-ZDUSSCGKSA-N -1 0 312.326 -0.513 20 0 DBADRM COC(=O)CCN1CCN(C(=O)CCCc2nnn[n-]2)C[C@@H]1C ZINC001362399805 981546921 /nfs/dbraw/zinc/54/69/21/981546921.db2.gz WCWRNCIJRHCFLQ-NSHDSACASA-N -1 0 324.385 -0.382 20 0 DBADRM COC(=O)CCN1CCN(C(=O)CCCc2nnn[n-]2)C[C@H]1C ZINC001362399803 981548155 /nfs/dbraw/zinc/54/81/55/981548155.db2.gz WCWRNCIJRHCFLQ-LLVKDONJSA-N -1 0 324.385 -0.382 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cc([C@H]2CCCOC2)[nH]n1 ZINC001362401402 981549552 /nfs/dbraw/zinc/54/95/52/981549552.db2.gz BPTMPJSNPINZKQ-ZETCQYMHSA-N -1 0 308.298 -0.055 20 0 DBADRM NC(=O)c1cccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)n1 ZINC001362406209 981551597 /nfs/dbraw/zinc/55/15/97/981551597.db2.gz KLQPLLGFVGSAMI-MRVPVSSYSA-N -1 0 301.310 -0.287 20 0 DBADRM NC(=O)c1ncccc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362409323 981556069 /nfs/dbraw/zinc/55/60/69/981556069.db2.gz WBWNJDJPDZVDOS-QMMMGPOBSA-N -1 0 301.310 -0.287 20 0 DBADRM O=C(c1cnn(CCO)c1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362413260 981556912 /nfs/dbraw/zinc/55/69/12/981556912.db2.gz YGOKMBRTUIFCQR-VIFPVBQESA-N -1 0 309.355 -0.681 20 0 DBADRM NC(=O)[C@H](O)CNC(=O)c1ncc(Br)cc1[O-] ZINC001362411875 981557639 /nfs/dbraw/zinc/55/76/39/981557639.db2.gz KMYMVPWVKSUUJV-ZCFIWIBFSA-N -1 0 304.100 -0.874 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@@H]3CNC(=O)C3)cc2=O)n1 ZINC001362425175 981561952 /nfs/dbraw/zinc/56/19/52/981561952.db2.gz ZAFBPYNZMHCNIM-VIFPVBQESA-N -1 0 316.321 -0.809 20 0 DBADRM CCCn1nccc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362439970 981571077 /nfs/dbraw/zinc/57/10/77/981571077.db2.gz ZGNYKFOPBAKXDY-UHFFFAOYSA-N -1 0 305.342 -0.070 20 0 DBADRM O=C(C1CS(=O)(=O)C1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001362439975 981572261 /nfs/dbraw/zinc/57/22/61/981572261.db2.gz ZXJWETHLRFXGQI-SSDOTTSWSA-N -1 0 300.340 -0.739 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362451247 981576736 /nfs/dbraw/zinc/57/67/36/981576736.db2.gz PLSCZODRAKOEIE-QMMMGPOBSA-N -1 0 303.326 -0.671 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362451239 981577040 /nfs/dbraw/zinc/57/70/40/981577040.db2.gz PLSCZODRAKOEIE-MRVPVSSYSA-N -1 0 303.326 -0.671 20 0 DBADRM CC(C)(C)c1nc[nH]c1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001362464810 981583383 /nfs/dbraw/zinc/58/33/83/981583383.db2.gz GHVNCTJXPIMHFP-UHFFFAOYSA-N -1 0 316.383 -0.097 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362465676 981584149 /nfs/dbraw/zinc/58/41/49/981584149.db2.gz CLLASVFXCTZKGO-SFYZADRCSA-N -1 0 302.356 -0.087 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC001362471280 981589093 /nfs/dbraw/zinc/58/90/93/981589093.db2.gz JUYONKGNOMEXFM-VHSXEESVSA-N -1 0 313.383 -0.300 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2Cc3cncn3C2)c1 ZINC001362471977 981589154 /nfs/dbraw/zinc/58/91/54/981589154.db2.gz AEDGZGMOCADFAA-QMMMGPOBSA-N -1 0 322.346 -0.409 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCS(=O)(=O)C[C@@H]1C1CC1 ZINC001362475555 981590550 /nfs/dbraw/zinc/59/05/50/981590550.db2.gz PKRNFSGMBUWAEB-SNVBAGLBSA-N -1 0 313.383 -0.442 20 0 DBADRM CNC(=O)[C@H](CC(C)C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362486671 981596148 /nfs/dbraw/zinc/59/61/48/981596148.db2.gz XOCTWHATYVNJCN-VIFPVBQESA-N -1 0 313.358 -0.254 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC2(CCOCC2)O1 ZINC001362491475 981598108 /nfs/dbraw/zinc/59/81/08/981598108.db2.gz GPOVEMIZUBZEIU-MRVPVSSYSA-N -1 0 310.310 -0.307 20 0 DBADRM COc1ccc([C@H](O)CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001362501591 981603607 /nfs/dbraw/zinc/60/36/07/981603607.db2.gz BVZZXFQTLPOWCA-SNVBAGLBSA-N -1 0 308.294 -0.452 20 0 DBADRM C[C@H](CN(C)C(=O)C[C@@]1(C)CCS(=O)(=O)N1)c1nnn[n-]1 ZINC001362504734 981606066 /nfs/dbraw/zinc/60/60/66/981606066.db2.gz XQGMAJXULJABRK-LDYMZIIASA-N -1 0 316.387 -0.767 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC001362522569 981619082 /nfs/dbraw/zinc/61/90/82/981619082.db2.gz CADHMEWUQDZSIE-UHFFFAOYSA-N -1 0 317.305 -0.708 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC001362528454 981631398 /nfs/dbraw/zinc/63/13/98/981631398.db2.gz ISXBVMUZCPLUIK-VIFPVBQESA-N -1 0 317.305 -0.069 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCO[C@]2(CCOC2)C1 ZINC001362535544 981640025 /nfs/dbraw/zinc/64/00/25/981640025.db2.gz NZBCRHUUMYNNHW-CQSZACIVSA-N -1 0 304.306 -0.346 20 0 DBADRM CCc1c[nH]c(=O)c(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c1 ZINC001362558846 981674729 /nfs/dbraw/zinc/67/47/29/981674729.db2.gz CQSZENFKIOYOTD-UHFFFAOYSA-N -1 0 318.337 -0.014 20 0 DBADRM CCn1nc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)ccc1=O ZINC001362560608 981681177 /nfs/dbraw/zinc/68/11/77/981681177.db2.gz HJTNVTNNGVZTNC-SECBINFHSA-N -1 0 303.326 -0.204 20 0 DBADRM CCc1c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cnn1CC ZINC001362564783 981687719 /nfs/dbraw/zinc/68/77/19/981687719.db2.gz BBBZLMAYLZXUIK-UHFFFAOYSA-N -1 0 316.383 -0.339 20 0 DBADRM Cn1nc2c(c1C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCC2 ZINC001362567847 981697945 /nfs/dbraw/zinc/69/79/45/981697945.db2.gz MYTXQOLCHTVXNQ-UHFFFAOYSA-N -1 0 314.367 -0.896 20 0 DBADRM C[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@@H](C)S1=O ZINC001362579871 981719941 /nfs/dbraw/zinc/71/99/41/981719941.db2.gz JPPMDJCOMZALJE-RKDXNWHRSA-N -1 0 316.383 -0.163 20 0 DBADRM Cc1nnc([C@@H]2CCN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C2)[nH]1 ZINC001362582849 981724137 /nfs/dbraw/zinc/72/41/37/981724137.db2.gz BNCYMXQPBVTWOO-SECBINFHSA-N -1 0 321.341 -0.088 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)C1CCC(S(C)(=O)=O)CC1 ZINC001362603761 981747930 /nfs/dbraw/zinc/74/79/30/981747930.db2.gz IUWRAMSOIQGYGH-UHFFFAOYSA-N -1 0 317.367 -0.075 20 0 DBADRM C[C@@H](CN(C)C(=O)CN1CCCCS1(=O)=O)c1nnn[n-]1 ZINC001362615976 981760542 /nfs/dbraw/zinc/76/05/42/981760542.db2.gz GCMXDXWGERMVFI-VIFPVBQESA-N -1 0 316.387 -0.813 20 0 DBADRM O=C(c1c[n-]ncc1=O)N(CCC(F)(F)F)C[C@H](O)CO ZINC001362627045 981772731 /nfs/dbraw/zinc/77/27/31/981772731.db2.gz SGPSWGBURKUKGH-ZETCQYMHSA-N -1 0 309.244 -0.070 20 0 DBADRM CCC(CC)(NC(=O)[C@H]1CCc2nnnn2CC1)c1nnn[n-]1 ZINC001362627908 981774972 /nfs/dbraw/zinc/77/49/72/981774972.db2.gz XNTSFVYTOQLZOU-VIFPVBQESA-N -1 0 319.373 -0.030 20 0 DBADRM C[C@H](O)C[C@@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001362630450 981778580 /nfs/dbraw/zinc/77/85/80/981778580.db2.gz RIIBVODSWAUVIG-GXSJLCMTSA-N -1 0 318.337 -0.126 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[C@H](C)[S@@](=O)CC1 ZINC001362641450 981787261 /nfs/dbraw/zinc/78/72/61/981787261.db2.gz CDEHDLQAOSJEMA-SGWXMTNESA-N -1 0 315.351 -0.121 20 0 DBADRM O=C(Nc1ccc2c(c1)CCNC2=O)c1n[nH]c(=O)[n-]c1=O ZINC001362656164 981802032 /nfs/dbraw/zinc/80/20/32/981802032.db2.gz JAGVDEVSDKHFPI-UHFFFAOYSA-N -1 0 301.262 -0.179 20 0 DBADRM Cn1nnnc1CNC(=O)c1nc[n-]c(=O)c1Br ZINC001362665500 981806863 /nfs/dbraw/zinc/80/68/63/981806863.db2.gz VICYEZOCTINXFN-UHFFFAOYSA-N -1 0 314.103 -0.602 20 0 DBADRM CCN1CCC[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1=O ZINC001596418518 1017141811 /nfs/dbraw/zinc/14/18/11/1017141811.db2.gz OLEGAAIOZWKKGK-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC2(CC1)OCCO2 ZINC001362668597 981809973 /nfs/dbraw/zinc/80/99/73/981809973.db2.gz BFWLSIIXYPFXAD-UHFFFAOYSA-N -1 0 312.326 -0.165 20 0 DBADRM CO[C@@H](C(=O)N1CCSC[C@@H]1c1nnn[n-]1)c1cnn(C)c1 ZINC001362672829 981811688 /nfs/dbraw/zinc/81/16/88/981811688.db2.gz OXLWMQJLZCTJGW-NXEZZACHSA-N -1 0 323.382 -0.063 20 0 DBADRM Cn1ccnc1COCC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362676016 981813466 /nfs/dbraw/zinc/81/34/66/981813466.db2.gz XLSIZYLPRBLIRR-VIFPVBQESA-N -1 0 323.382 -0.234 20 0 DBADRM O=C(NC1CCN([C@H]2CCOC2=O)CC1)c1c[n-]ncc1=O ZINC001362681561 981814697 /nfs/dbraw/zinc/81/46/97/981814697.db2.gz HXUAPEQMGNZWQW-NSHDSACASA-N -1 0 306.322 -0.308 20 0 DBADRM Cn1ncc(Br)c1CC(=O)NCc1nc(=O)o[n-]1 ZINC001362682741 981816768 /nfs/dbraw/zinc/81/67/68/981816768.db2.gz LOMLAWYLGUXSKA-UHFFFAOYSA-N -1 0 316.115 -0.282 20 0 DBADRM NC(=O)Cc1occc1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362687384 981818344 /nfs/dbraw/zinc/81/83/44/981818344.db2.gz LHOLCVJKCWRHRE-MRVPVSSYSA-N -1 0 304.310 -0.160 20 0 DBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@@H]1COC[C@H]1O ZINC001362686672 981818865 /nfs/dbraw/zinc/81/88/65/981818865.db2.gz ZPXHXOLYYJPUBI-GHMZBOCLSA-N -1 0 306.322 -0.530 20 0 DBADRM CSCC[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1nnn[n-]1 ZINC001362690709 981821574 /nfs/dbraw/zinc/82/15/74/981821574.db2.gz VNAYJZMYDBTLFG-YUMQZZPRSA-N -1 0 319.412 -0.455 20 0 DBADRM CC(C)(CNC(=O)CCCn1c(=O)[n-][nH]c1=O)OCCO ZINC001362691314 981822291 /nfs/dbraw/zinc/82/22/91/981822291.db2.gz RPDARJRCIJHNDY-UHFFFAOYSA-N -1 0 302.331 -0.627 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H](CO)CC(F)(F)F ZINC001362698084 981827229 /nfs/dbraw/zinc/82/72/29/981827229.db2.gz VNXHWYKLYMNHNH-LURJTMIESA-N -1 0 312.248 -0.101 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H]1OC ZINC001362702818 981830549 /nfs/dbraw/zinc/83/05/49/981830549.db2.gz IWVDCIBFVFOZCL-FXPVBKGRSA-N -1 0 314.342 -0.222 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCN(c2nccnn2)CC1 ZINC001362702012 981830855 /nfs/dbraw/zinc/83/08/55/981830855.db2.gz VVVJOXMTMLARHD-UHFFFAOYSA-N -1 0 303.330 -0.944 20 0 DBADRM NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001362718137 981843559 /nfs/dbraw/zinc/84/35/59/981843559.db2.gz VRPIVJYHYOYYCB-MXWKQRLJSA-N -1 0 300.322 -0.083 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001362722811 981847620 /nfs/dbraw/zinc/84/76/20/981847620.db2.gz IENFGYDGDYJIJJ-MRVPVSSYSA-N -1 0 318.355 -0.885 20 0 DBADRM C[C@H](C(=O)N1CCC(O)(c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001362722086 981847723 /nfs/dbraw/zinc/84/77/23/981847723.db2.gz FKSLPPSOQZEKPF-VIFPVBQESA-N -1 0 305.342 -0.453 20 0 DBADRM NC(=O)CC1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001362727452 981851320 /nfs/dbraw/zinc/85/13/20/981851320.db2.gz JURVRVIRONIJGK-UHFFFAOYSA-N -1 0 317.305 -0.786 20 0 DBADRM C[S@@](=O)C1(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001362727122 981851710 /nfs/dbraw/zinc/85/17/10/981851710.db2.gz ITJPZEYYOXBUSL-OAQYLSRUSA-N -1 0 309.351 -0.902 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362728867 981853207 /nfs/dbraw/zinc/85/32/07/981853207.db2.gz GXKHUSJDNUWDMM-SNVBAGLBSA-N -1 0 308.342 -0.979 20 0 DBADRM COc1c(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c(C)nn1C ZINC001362729453 981853231 /nfs/dbraw/zinc/85/32/31/981853231.db2.gz ZIZBQWQQROEHOC-UHFFFAOYSA-N -1 0 321.341 -0.626 20 0 DBADRM C[C@H](CC(=O)N1CCC(O)(c2nnn[n-]2)CC1)n1ccnc1 ZINC001362733237 981854547 /nfs/dbraw/zinc/85/45/47/981854547.db2.gz VYVBNXLWQZZDGY-SNVBAGLBSA-N -1 0 305.342 -0.143 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362733631 981854698 /nfs/dbraw/zinc/85/46/98/981854698.db2.gz XYCLNZQCPGVXLY-VIFPVBQESA-N -1 0 308.342 -0.932 20 0 DBADRM O=C(c1ccnn1CC(F)F)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001362757165 981867952 /nfs/dbraw/zinc/86/79/52/981867952.db2.gz BLUAPPMPDVUJPD-MRVPVSSYSA-N -1 0 313.268 -0.125 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](NC(=O)CCc3nnn[n-]3)CCO2)cn1 ZINC001362758878 981869640 /nfs/dbraw/zinc/86/96/40/981869640.db2.gz IIBULIWNGODTCQ-QWRGUYRKSA-N -1 0 305.342 -0.098 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@H]2c2nnn[n-]2)C1 ZINC001362761974 981871180 /nfs/dbraw/zinc/87/11/80/981871180.db2.gz RALQLNGOPGJHRO-AEJSXWLSSA-N -1 0 309.326 -0.311 20 0 DBADRM O=C(C[C@H]1CCCS1(=O)=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001362760419 981872318 /nfs/dbraw/zinc/87/23/18/981872318.db2.gz KPZNGYVUPXABII-RKDXNWHRSA-N -1 0 315.355 -0.933 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001362782458 981884306 /nfs/dbraw/zinc/88/43/06/981884306.db2.gz DVDNVUXCZOHMPQ-SFYZADRCSA-N -1 0 312.288 -0.355 20 0 DBADRM O=C(c1cc2n(n1)CCC[C@H]2O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001362805188 981898514 /nfs/dbraw/zinc/89/85/14/981898514.db2.gz GHMSEFRGRDQUGM-GZMMTYOYSA-N -1 0 303.326 -0.147 20 0 DBADRM Cc1cccnc1NC(=O)CCNC(=O)CCc1nnn[n-]1 ZINC001362807159 981901396 /nfs/dbraw/zinc/90/13/96/981901396.db2.gz PLHFKTLGGRLDMA-UHFFFAOYSA-N -1 0 303.326 -0.019 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)N3CC[C@H](c4nnn[n-]4)C3)nc2C1 ZINC001362806182 981901615 /nfs/dbraw/zinc/90/16/15/981901615.db2.gz KBJCINUPWAVSJI-VHSXEESVSA-N -1 0 317.353 -0.013 20 0 DBADRM Cc1nc(Cn2cc(C(=O)[N-]N3CCCNC3=O)nn2)no1 ZINC001362809511 981902597 /nfs/dbraw/zinc/90/25/97/981902597.db2.gz QBNJZHLWUIPEJC-UHFFFAOYSA-N -1 0 306.286 -0.922 20 0 DBADRM CC[C@@](COC)(NC(=O)c1c[n-]n2c1nccc2=O)C(=O)OC ZINC001362815586 981911417 /nfs/dbraw/zinc/91/14/17/981911417.db2.gz IGBPCKRECDBDAR-AWEZNQCLSA-N -1 0 322.321 -0.279 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCC[C@H]2CCNC(=O)[C@H]21 ZINC001362821394 981917736 /nfs/dbraw/zinc/91/77/36/981917736.db2.gz YUGMQYIAMQTYSI-CBAPKCEASA-N -1 0 322.321 -0.363 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CCNS(C)(=O)=O ZINC001362828480 981920410 /nfs/dbraw/zinc/92/04/10/981920410.db2.gz CHCOVBDSTKYNCG-UHFFFAOYSA-N -1 0 304.376 -0.876 20 0 DBADRM COC(=O)[C@@](C)(CO)NC(=O)c1n[n-]c2ccccc2c1=O ZINC001362830261 981922159 /nfs/dbraw/zinc/92/21/59/981922159.db2.gz AVDOJUUNPKAQFY-CQSZACIVSA-N -1 0 305.290 -0.011 20 0 DBADRM COC(=O)[C@]12CN(C(=O)c3c[n-]ncc3=O)C[C@H]1COCC2 ZINC001362835486 981927999 /nfs/dbraw/zinc/92/79/99/981927999.db2.gz FOCVTTYWMUVUHN-LKFCYVNXSA-N -1 0 307.306 -0.166 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1coc(S(C)(=O)=O)c1 ZINC001362839632 981931384 /nfs/dbraw/zinc/93/13/84/981931384.db2.gz IKAAODVSTPGSQI-UHFFFAOYSA-N -1 0 301.280 -0.368 20 0 DBADRM Cc1cc(C(=O)N2C[C@H](O)[C@H](CO)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001362844447 981935924 /nfs/dbraw/zinc/93/59/24/981935924.db2.gz ZJBKHUYJFKPGDN-CBAPKCEASA-N -1 0 320.305 -0.830 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CCO1 ZINC001362849259 981942836 /nfs/dbraw/zinc/94/28/36/981942836.db2.gz ZIUNPIBIELBMFC-KCJUWKMLSA-N -1 0 304.310 -0.517 20 0 DBADRM O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1cccc(F)c1[O-] ZINC001362854549 981948451 /nfs/dbraw/zinc/94/84/51/981948451.db2.gz SEGKHWJMQREHBA-LBPRGKRZSA-N -1 0 303.311 -0.189 20 0 DBADRM CCCn1cc(CNC(=O)CNC(=O)c2ncccc2O)nn1 ZINC001362862975 981954828 /nfs/dbraw/zinc/95/48/28/981954828.db2.gz QYVMIQIKOQAFPT-UHFFFAOYSA-N -1 0 318.337 -0.165 20 0 DBADRM Cc1cc(O)ccc1CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001362896541 981979117 /nfs/dbraw/zinc/97/91/17/981979117.db2.gz CSCMOCONOKABGE-UHFFFAOYSA-N -1 0 314.363 -0.175 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N[C@@H](COC)c1nnn[n-]1 ZINC001362899943 981980534 /nfs/dbraw/zinc/98/05/34/981980534.db2.gz MTJQATBEGHHDOY-QMMMGPOBSA-N -1 0 305.360 -0.782 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)nn1 ZINC001362901618 981982659 /nfs/dbraw/zinc/98/26/59/981982659.db2.gz CGWWUSFGMLKMGY-VHSXEESVSA-N -1 0 320.357 -0.674 20 0 DBADRM COC[C@@H](NC(=O)[C@H](O)c1ccccc1OC)c1nnn[n-]1 ZINC001362901042 981982775 /nfs/dbraw/zinc/98/27/75/981982775.db2.gz PIZSZKRTKQGBAH-MWLCHTKSSA-N -1 0 307.310 -0.254 20 0 DBADRM O=C([C@H]1CCNC(=O)CC1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001362901534 981982898 /nfs/dbraw/zinc/98/28/98/981982898.db2.gz BYTVLWSRBIYRAM-GHMZBOCLSA-N -1 0 306.370 -0.103 20 0 DBADRM COC[C@H](NC(=O)c1csc(NC(C)=O)n1)c1nnn[n-]1 ZINC001362906783 981988183 /nfs/dbraw/zinc/98/81/83/981988183.db2.gz FWPJCFDRDYIBJM-LURJTMIESA-N -1 0 311.327 -0.268 20 0 DBADRM COC[C@H](NC(=O)c1ccnn1CC(F)F)c1nnn[n-]1 ZINC001362911545 981996033 /nfs/dbraw/zinc/99/60/33/981996033.db2.gz SZSIFMFQKSVHOJ-LURJTMIESA-N -1 0 301.257 -0.221 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362912186 981996469 /nfs/dbraw/zinc/99/64/69/981996469.db2.gz MTKFDRWHILWRHN-VXGBXAGGSA-N -1 0 318.337 -0.703 20 0 DBADRM COC[C@H](NC(=O)CN1Cc2ccccc2C1=O)c1nnn[n-]1 ZINC001362912819 981996816 /nfs/dbraw/zinc/99/68/16/981996816.db2.gz ZFAGUTWSFVCVHA-NSHDSACASA-N -1 0 316.321 -0.341 20 0 DBADRM COC(=O)C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CCCC1 ZINC001362918540 982000265 /nfs/dbraw/zinc/00/02/65/982000265.db2.gz NIKLRGSIXYTIDJ-SECBINFHSA-N -1 0 312.326 -0.073 20 0 DBADRM CCOC(=O)[C@@H](F)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001362934301 982012358 /nfs/dbraw/zinc/01/23/58/982012358.db2.gz GLWFUGIUUHUQBT-QMMMGPOBSA-N -1 0 302.262 -0.951 20 0 DBADRM Cc1nc([C@](C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C2CC2)no1 ZINC001362937829 982013313 /nfs/dbraw/zinc/01/33/13/982013313.db2.gz NQUZMCFEJNJHCM-GFCCVEGCSA-N -1 0 308.298 -0.178 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H](CO)c1ccccn1 ZINC001362938363 982013988 /nfs/dbraw/zinc/01/39/88/982013988.db2.gz NRXLBUAEAVEYGK-SNVBAGLBSA-N -1 0 307.310 -0.286 20 0 DBADRM CC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)OC(C)(C)C ZINC001362943213 982019387 /nfs/dbraw/zinc/01/93/87/982019387.db2.gz XKDNGKPRLPULPO-ZETCQYMHSA-N -1 0 300.315 -0.074 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2c[nH]c(=O)[nH]2)cn1 ZINC001362964474 982032255 /nfs/dbraw/zinc/03/22/55/982032255.db2.gz RQNREPSXXADCKG-UHFFFAOYSA-N -1 0 311.323 -0.188 20 0 DBADRM O=C(NC[C@@H]1COCO1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362976293 982041573 /nfs/dbraw/zinc/04/15/73/982041573.db2.gz HUENPTZBOQSDNJ-SNVBAGLBSA-N -1 0 306.278 -0.631 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1=O ZINC001362978891 982042616 /nfs/dbraw/zinc/04/26/16/982042616.db2.gz AXMDKPLOZCONAN-VIFPVBQESA-N -1 0 314.367 -0.016 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC[C@H]3CO)cc2=O)n1 ZINC001362985174 982045033 /nfs/dbraw/zinc/04/50/33/982045033.db2.gz WOCSGLVQICYBRA-JTQLQIEISA-N -1 0 303.322 -0.221 20 0 DBADRM CSCC[C@H](NC(=O)[C@]1(C)C[C@@H](O)CN1C)c1nnn[n-]1 ZINC001363001951 982059566 /nfs/dbraw/zinc/05/95/66/982059566.db2.gz SXXOIZFLZOCYJQ-PTRXPTGYSA-N -1 0 314.415 -0.435 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362999230 982059883 /nfs/dbraw/zinc/05/98/83/982059883.db2.gz BMPCRKLBVYJCCW-SSDOTTSWSA-N -1 0 316.339 -0.678 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363015839 982072406 /nfs/dbraw/zinc/07/24/06/982072406.db2.gz MQACTPBPMDWGMP-MRVPVSSYSA-N -1 0 301.310 -0.665 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(Cn2cnnc2)CC1 ZINC001363022747 982080152 /nfs/dbraw/zinc/08/01/52/982080152.db2.gz IXXCKJIVWZWWHE-UHFFFAOYSA-N -1 0 305.298 -0.573 20 0 DBADRM O=C(CCc1ncccn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363025511 982080853 /nfs/dbraw/zinc/08/08/53/982080853.db2.gz BQWXIXDIXALXOU-UHFFFAOYSA-N -1 0 303.326 -0.568 20 0 DBADRM Cc1ccncc1CC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363025519 982081937 /nfs/dbraw/zinc/08/19/37/982081937.db2.gz BXNCTBOSVIJNQI-UHFFFAOYSA-N -1 0 302.338 -0.044 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363029155 982084534 /nfs/dbraw/zinc/08/45/34/982084534.db2.gz OTGGBJVXHXLKLO-JTQLQIEISA-N -1 0 322.369 -0.591 20 0 DBADRM CC1=C(C(=O)N[C@H](C)c2nn(C)cc2[O-])S(=O)(=O)CCO1 ZINC001363038373 982091883 /nfs/dbraw/zinc/09/18/83/982091883.db2.gz HDGHUTLPQREISX-SSDOTTSWSA-N -1 0 315.351 -0.021 20 0 DBADRM CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)c2cc(=O)n(C)[n-]2)C1 ZINC001363044365 982097017 /nfs/dbraw/zinc/09/70/17/982097017.db2.gz RGQYOTMQWWWSJW-WCBMZHEXSA-N -1 0 312.326 -0.695 20 0 DBADRM CCNS(=O)(=O)c1cccc(C(=O)N(C)c2nnn[n-]2)c1 ZINC001363051363 982103030 /nfs/dbraw/zinc/10/30/30/982103030.db2.gz MMHMRFSRMLBMAW-UHFFFAOYSA-N -1 0 310.339 -0.226 20 0 DBADRM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)[C@@H]1CSCC(=O)N1 ZINC001363059522 982108559 /nfs/dbraw/zinc/10/85/59/982108559.db2.gz MHCBEYYQHUCCKO-ONGXEEELSA-N -1 0 318.362 -0.363 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1c[n-]ncc1=O ZINC001363073359 982118508 /nfs/dbraw/zinc/11/85/08/982118508.db2.gz DAXUMBWVJARCGR-SFYZADRCSA-N -1 0 310.310 -0.632 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CC(c2ccccn2)=NO1 ZINC001363090537 982127440 /nfs/dbraw/zinc/12/74/40/982127440.db2.gz LIIVCPGFHJSHFF-JTQLQIEISA-N -1 0 303.278 -0.390 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC12OCCO2 ZINC001363102311 982140112 /nfs/dbraw/zinc/14/01/12/982140112.db2.gz SOHVJKUYIJJGFB-SECBINFHSA-N -1 0 312.326 -0.119 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1 ZINC001363115741 982148925 /nfs/dbraw/zinc/14/89/25/982148925.db2.gz DYKTYGGIHSWQCQ-LLVKDONJSA-N -1 0 316.321 -0.559 20 0 DBADRM CC1(C)OCC(C)(C(=O)N2CCOC[C@H]2c2nnn[n-]2)CO1 ZINC001363115705 982149523 /nfs/dbraw/zinc/14/95/23/982149523.db2.gz DPABFRINOALCHC-VIFPVBQESA-N -1 0 311.342 -0.111 20 0 DBADRM Cc1nccc(CCC(=O)N2CCOC[C@H]2c2nnn[n-]2)n1 ZINC001363117187 982150176 /nfs/dbraw/zinc/15/01/76/982150176.db2.gz SAFHTJOFSZPOTM-NSHDSACASA-N -1 0 303.326 -0.169 20 0 DBADRM CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001363136722 982161448 /nfs/dbraw/zinc/16/14/48/982161448.db2.gz QJNFKMWETMYGDV-JGZJWPJOSA-N -1 0 315.337 -0.589 20 0 DBADRM CN(C(=O)CNC(=O)NCc1ccc(F)cc1)c1nnn[n-]1 ZINC001363149198 982180553 /nfs/dbraw/zinc/18/05/53/982180553.db2.gz ILDWBUMJFGPXAF-UHFFFAOYSA-N -1 0 307.289 -0.199 20 0 DBADRM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)c1nnn[n-]1 ZINC001363149176 982180586 /nfs/dbraw/zinc/18/05/86/982180586.db2.gz IEZFGIRXQROFJP-LURJTMIESA-N -1 0 316.368 -0.409 20 0 DBADRM CNC(=O)[C@H](CCSC)NC(=O)CCCc1nnn[n-]1 ZINC001363148391 982180861 /nfs/dbraw/zinc/18/08/61/982180861.db2.gz SCYMDWKXTMNXHD-QMMMGPOBSA-N -1 0 300.388 -0.494 20 0 DBADRM CN(C(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)c1nnn[n-]1 ZINC001363153045 982182666 /nfs/dbraw/zinc/18/26/66/982182666.db2.gz UQMPCUITYMPAQX-CRCLSJGQSA-N -1 0 313.261 -0.614 20 0 DBADRM CN(C(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)c1nnn[n-]1 ZINC001363153251 982183268 /nfs/dbraw/zinc/18/32/68/982183268.db2.gz UQMPCUITYMPAQX-WHFBIAKZSA-N -1 0 313.261 -0.614 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(CCO)(CCO)CC1 ZINC001363153479 982183639 /nfs/dbraw/zinc/18/36/39/982183639.db2.gz HZIGYORZYSLJCS-UHFFFAOYSA-N -1 0 312.326 -0.730 20 0 DBADRM C[C@@H](O)[C@@H](O)CNC(=O)c1nc[n-]c(=O)c1Br ZINC001363164484 982189400 /nfs/dbraw/zinc/18/94/00/982189400.db2.gz BECXOCYVAKJQDQ-UHNVWZDZSA-N -1 0 306.116 -0.584 20 0 DBADRM NC(=O)C1(O)CN(C(=O)c2cccc(Br)c2[O-])C1 ZINC001363186286 982206280 /nfs/dbraw/zinc/20/62/80/982206280.db2.gz YLCRMRRSFSJTPH-UHFFFAOYSA-N -1 0 315.123 -0.173 20 0 DBADRM CC(C)[C@@H](C)C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001530915655 1014816683 /nfs/dbraw/zinc/81/66/83/1014816683.db2.gz DAAWDXWLSOYNHA-MRVPVSSYSA-N -1 0 323.353 -0.237 20 0 DBADRM Cc1ccn(C[C@H](C)C(=O)N2CCOC[C@@H]2c2nnn[n-]2)n1 ZINC001363202581 982220513 /nfs/dbraw/zinc/22/05/13/982220513.db2.gz DKCHHIDZOLQGIL-GXSJLCMTSA-N -1 0 305.342 -0.059 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC001363205622 982222913 /nfs/dbraw/zinc/22/29/13/982222913.db2.gz VYKTVOLOVIVUSY-CRCLSJGQSA-N -1 0 308.216 -0.474 20 0 DBADRM O=C(Cn1cc(C2CC2)cn1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363205278 982223382 /nfs/dbraw/zinc/22/33/82/982223382.db2.gz RLMOMPMUWZAAQZ-NSHDSACASA-N -1 0 303.326 -0.126 20 0 DBADRM CCN1C[C@@H](CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1=O ZINC001363213779 982231202 /nfs/dbraw/zinc/23/12/02/982231202.db2.gz WJOBGFWXTVQIHL-SECBINFHSA-N -1 0 311.342 -0.546 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363216897 982232163 /nfs/dbraw/zinc/23/21/63/982232163.db2.gz JBADYURTOMRRPL-IUCAKERBSA-N -1 0 304.310 -0.073 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC[C@H](N2CCOC2=O)C1 ZINC001363220247 982234832 /nfs/dbraw/zinc/23/48/32/982234832.db2.gz VPYKZDGWHZHABE-VIFPVBQESA-N -1 0 317.305 -0.311 20 0 DBADRM CO[C@]1(CO)CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001363225621 982237807 /nfs/dbraw/zinc/23/78/07/982237807.db2.gz DBTUYILCVXESJN-CYBMUJFWSA-N -1 0 314.342 -0.531 20 0 DBADRM CN1c2ccccc2C[C@H](NC(=O)CCc2nnn[n-]2)C1=O ZINC001363231764 982244324 /nfs/dbraw/zinc/24/43/24/982244324.db2.gz SYVJOUMPAIBUHE-JTQLQIEISA-N -1 0 300.322 -0.164 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001363242413 982256722 /nfs/dbraw/zinc/25/67/22/982256722.db2.gz DFYHOHNPCJPANZ-ZKCHVHJHSA-N -1 0 318.355 -0.839 20 0 DBADRM O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1cc(F)c([O-])c(F)c1 ZINC001363252966 982272695 /nfs/dbraw/zinc/27/26/95/982272695.db2.gz KYYXHBYEKOPIPV-LBPRGKRZSA-N -1 0 321.301 -0.050 20 0 DBADRM O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1cc(F)c([O-])c(F)c1 ZINC001363252963 982273904 /nfs/dbraw/zinc/27/39/04/982273904.db2.gz KYYXHBYEKOPIPV-GFCCVEGCSA-N -1 0 321.301 -0.050 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCN(C(=O)OC)CC1)C(=O)[O-] ZINC001594892332 982294164 /nfs/dbraw/zinc/29/41/64/982294164.db2.gz ADOYUEOWFXYMDF-ZYHUDNBSSA-N -1 0 315.370 -0.014 20 0 DBADRM COC(=O)C1=NO[C@]2(CCN(C(=O)CCc3nnn[n-]3)C2)C1 ZINC001363272886 982294899 /nfs/dbraw/zinc/29/48/99/982294899.db2.gz SJFXFSBUJUJXTA-GFCCVEGCSA-N -1 0 308.298 -0.947 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1C[C@H](CO)[C@H](CO)C1)C(=O)[O-] ZINC001594893037 982300488 /nfs/dbraw/zinc/30/04/88/982300488.db2.gz GFNUQEYPJYASPL-MEWQQHAOSA-N -1 0 302.371 -0.866 20 0 DBADRM C[C@H](C(=O)N1CCC(c2nnn[n-]2)CC1)[C@@H](C)S(C)(=O)=O ZINC001363282329 982302051 /nfs/dbraw/zinc/30/20/51/982302051.db2.gz MCRWAHQPUAKYCI-DTWKUNHWSA-N -1 0 315.399 -0.025 20 0 DBADRM COC(=O)N(C)CCN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363282172 982302434 /nfs/dbraw/zinc/30/24/34/982302434.db2.gz HPFHWKTXSDRIIY-UHFFFAOYSA-N -1 0 315.330 -0.374 20 0 DBADRM CSCC[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)c1nnn[n-]1 ZINC001363281304 982303589 /nfs/dbraw/zinc/30/35/89/982303589.db2.gz WDARNTSEQATTLS-YUMQZZPRSA-N -1 0 321.428 -0.209 20 0 DBADRM Cn1ccnc1[C@@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC001363282985 982306502 /nfs/dbraw/zinc/30/65/02/982306502.db2.gz OKOFBZBBOFEXAG-SFYZADRCSA-N -1 0 320.309 -0.334 20 0 DBADRM C[C@]1(CO)C[C@@H](O)CN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001363286271 982308445 /nfs/dbraw/zinc/30/84/45/982308445.db2.gz NOAWYUAYBUFSPN-IAQYHMDHSA-N -1 0 319.317 -0.012 20 0 DBADRM C[C@@]1(CO)C[C@H](O)CN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001363286273 982308873 /nfs/dbraw/zinc/30/88/73/982308873.db2.gz NOAWYUAYBUFSPN-NHYWBVRUSA-N -1 0 319.317 -0.012 20 0 DBADRM C[C@@]1(CO)C[C@@H](O)CN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363287345 982309963 /nfs/dbraw/zinc/30/99/63/982309963.db2.gz QFPHJXUHPYTWBY-RISCZKNCSA-N -1 0 318.337 -0.967 20 0 DBADRM C[C@]1(CO)C[C@@H](O)CN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363287343 982311245 /nfs/dbraw/zinc/31/12/45/982311245.db2.gz QFPHJXUHPYTWBY-BXUZGUMPSA-N -1 0 318.337 -0.967 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@H](O)C[C@@H]1C(=O)[O-])C(=O)OC ZINC001594893729 982311304 /nfs/dbraw/zinc/31/13/04/982311304.db2.gz XBBNYPFDWLKQIH-XNDJQWLSSA-N -1 0 316.354 -0.790 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363305634 982327973 /nfs/dbraw/zinc/32/79/73/982327973.db2.gz FOOQXHUAGKNFSW-NXEZZACHSA-N -1 0 314.342 -0.268 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)o1 ZINC001363304938 982328262 /nfs/dbraw/zinc/32/82/62/982328262.db2.gz CTQGCFUYGPDANH-ZETCQYMHSA-N -1 0 311.323 -0.174 20 0 DBADRM COC(=O)c1cc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)n(C)n1 ZINC001363314876 982334166 /nfs/dbraw/zinc/33/41/66/982334166.db2.gz FEXLLBGCNGGWIB-SSDOTTSWSA-N -1 0 305.298 -0.651 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001363321711 982340024 /nfs/dbraw/zinc/34/00/24/982340024.db2.gz LEYASWQXJNPJIK-UHFFFAOYSA-N -1 0 303.340 -0.283 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001363326376 982342225 /nfs/dbraw/zinc/34/22/25/982342225.db2.gz BNUIXPIIMNXPEW-VHSXEESVSA-N -1 0 313.383 -0.585 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)c1cccnc1C(N)=O ZINC001363357512 982361804 /nfs/dbraw/zinc/36/18/04/982361804.db2.gz SHZFSWDSJYENFD-UHFFFAOYSA-N -1 0 303.326 -0.008 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC001363375294 982368743 /nfs/dbraw/zinc/36/87/43/982368743.db2.gz RSBWAGOTPXWYBJ-SSDOTTSWSA-N -1 0 321.268 -0.048 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC001363374725 982369788 /nfs/dbraw/zinc/36/97/88/982369788.db2.gz RJYJFXZKHYXEDN-QMMMGPOBSA-N -1 0 307.310 -0.633 20 0 DBADRM COC(=O)[C@@H]1CO[C@H](CCC(=O)Nn2c(=O)[n-][nH]c2=O)C1 ZINC001363375872 982369912 /nfs/dbraw/zinc/36/99/12/982369912.db2.gz FDVNYILAFYJNDH-NKWVEPMBSA-N -1 0 300.271 -0.882 20 0 DBADRM CC[C@H]1[C@@H](CO)CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001363374143 982369947 /nfs/dbraw/zinc/36/99/47/982369947.db2.gz JICWHZQFUAIYHP-KOLCDFICSA-N -1 0 305.338 -0.309 20 0 DBADRM Cn1ccnc1C1(O)CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC001363377302 982371905 /nfs/dbraw/zinc/37/19/05/982371905.db2.gz HHLKJFPXXRLQTI-UHFFFAOYSA-N -1 0 305.338 -0.017 20 0 DBADRM O=C([C@@H]1CCCC12OCCO2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363409257 982396768 /nfs/dbraw/zinc/39/67/68/982396768.db2.gz BUTGSWFSTJALFE-UWVGGRQHSA-N -1 0 309.326 -0.357 20 0 DBADRM O=C(COCc1cccnc1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363410510 982397439 /nfs/dbraw/zinc/39/74/39/982397439.db2.gz WHRQKBGTHHKHBU-NSHDSACASA-N -1 0 304.310 -0.289 20 0 DBADRM CN(C)c1ccnc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1 ZINC001363409900 982397520 /nfs/dbraw/zinc/39/75/20/982397520.db2.gz ISSINWLRWZBYBC-LLVKDONJSA-N -1 0 303.326 -0.126 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(O[C@@H]2CCOC2)CC1 ZINC001363413526 982398206 /nfs/dbraw/zinc/39/82/06/982398206.db2.gz IWKHAKVSRHMBKR-SECBINFHSA-N -1 0 310.310 -0.307 20 0 DBADRM COC[C@H](NC(=O)COc1c(=O)ccoc1C)c1nnn[n-]1 ZINC001363419290 982403893 /nfs/dbraw/zinc/40/38/93/982403893.db2.gz VXHNJOMEWNQLPI-QMMMGPOBSA-N -1 0 309.282 -0.656 20 0 DBADRM COC[C@@H](NC(=O)COCc1cc[nH]c(=O)c1)c1nnn[n-]1 ZINC001363429019 982406990 /nfs/dbraw/zinc/40/69/90/982406990.db2.gz CSRPIXSCDJVESS-SECBINFHSA-N -1 0 308.298 -0.679 20 0 DBADRM CC(C)(CO)[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1cccnc1 ZINC001363462363 982432688 /nfs/dbraw/zinc/43/26/88/982432688.db2.gz SKZOHBNUDCLQGA-NSHDSACASA-N -1 0 321.337 -0.040 20 0 DBADRM CC1CCC(NS(=O)(=O)CC(=O)N(C)c2nnn[n-]2)CC1 ZINC001363489391 982452798 /nfs/dbraw/zinc/45/27/98/982452798.db2.gz KMMJJLALCSMTBA-UHFFFAOYSA-N -1 0 316.387 -0.339 20 0 DBADRM CC(=O)N1CC[C@H]1CN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001489756495 1014842146 /nfs/dbraw/zinc/84/21/46/1014842146.db2.gz QWUSZBJRZWUYNU-JTQLQIEISA-N -1 0 311.342 -0.451 20 0 DBADRM Cn1cc([C@H]2CN(C(=O)CSc3n[nH]c(=O)[n-]3)CCN2)cn1 ZINC001363496687 982459682 /nfs/dbraw/zinc/45/96/82/982459682.db2.gz DNSCBUJBDGEIBX-SECBINFHSA-N -1 0 323.382 -0.491 20 0 DBADRM COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)CCCc1nnn[n-]1 ZINC001363503865 982467301 /nfs/dbraw/zinc/46/73/01/982467301.db2.gz LARRSSWIHYMGGS-TVQRCGJNSA-N -1 0 311.342 -0.299 20 0 DBADRM Cn1cc2c(n1)CCC[C@H]2C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363512375 982474609 /nfs/dbraw/zinc/47/46/09/982474609.db2.gz MPCIMZAGCDUXLM-SKDRFNHKSA-N -1 0 317.353 -0.047 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2COCC[C@H]2O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001363516238 982479471 /nfs/dbraw/zinc/47/94/71/982479471.db2.gz KYXQWWHXMHYNLZ-RKDXNWHRSA-N -1 0 320.305 -0.376 20 0 DBADRM COC(=O)CC[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001363547918 982502341 /nfs/dbraw/zinc/50/23/41/982502341.db2.gz CDSFUFVSPMNYLW-VIFPVBQESA-N -1 0 312.326 -0.119 20 0 DBADRM Cn1ncnc1C1(O)CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001363548518 982503447 /nfs/dbraw/zinc/50/34/47/982503447.db2.gz NIPPNSINGFNFKH-UHFFFAOYSA-N -1 0 320.357 -0.839 20 0 DBADRM Cc1cc(C)nc(C2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001363554531 982506653 /nfs/dbraw/zinc/50/66/53/982506653.db2.gz PIGWARVZGRPBFE-UHFFFAOYSA-N -1 0 304.310 -0.278 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC001363573723 982516023 /nfs/dbraw/zinc/51/60/23/982516023.db2.gz UHLHPPPUEHMCJS-MRVPVSSYSA-N -1 0 320.309 -0.892 20 0 DBADRM COCCn1cc(C(=O)N[C@H](COC)c2nnn[n-]2)c(C)n1 ZINC001363584387 982522466 /nfs/dbraw/zinc/52/24/66/982522466.db2.gz FDVBMJIOZDYYNP-SNVBAGLBSA-N -1 0 309.330 -0.531 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)c1ccccc1)c1nnn[n-]1 ZINC001363588875 982526285 /nfs/dbraw/zinc/52/62/85/982526285.db2.gz PKMASTCDAQHUQC-JTQLQIEISA-N -1 0 304.310 -0.567 20 0 DBADRM O=C(NC[C@]1(CO)COCCN1)c1s[n-]c(=O)c1Cl ZINC001363592635 982528661 /nfs/dbraw/zinc/52/86/61/982528661.db2.gz AKSHPILXAOHNQV-JTQLQIEISA-N -1 0 307.759 -0.417 20 0 DBADRM O=C(N[C@]12C[C@H]1COC2)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001363594311 982530385 /nfs/dbraw/zinc/53/03/85/982530385.db2.gz XBQBHRIEMKPRNJ-XPTSAGLGSA-N -1 0 302.290 -0.215 20 0 DBADRM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CC=C(N)N1 ZINC001363599421 982532358 /nfs/dbraw/zinc/53/23/58/982532358.db2.gz DRXHATVNEAPETQ-UHFFFAOYSA-N -1 0 313.321 -0.363 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363600614 982534190 /nfs/dbraw/zinc/53/41/90/982534190.db2.gz UHBNFPFETJZUCR-MNOVXSKESA-N -1 0 316.321 -0.244 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOc2ccccc2[C@H]1CO ZINC001363613404 982537600 /nfs/dbraw/zinc/53/76/00/982537600.db2.gz VRYTWGHLHZEYPE-SECBINFHSA-N -1 0 318.289 -0.149 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@](CO)(c2ccccc2)C1 ZINC001363618549 982538778 /nfs/dbraw/zinc/53/87/78/982538778.db2.gz PJCWVNLTRVTEDE-WGRBQBNCSA-N -1 0 318.333 -0.102 20 0 DBADRM CCC[C@@H](C(=O)N1CCC(c2nnn[n-]2)CC1)S(N)(=O)=O ZINC001363663403 982560200 /nfs/dbraw/zinc/56/02/00/982560200.db2.gz YHTUOEWZEBLZBF-VIFPVBQESA-N -1 0 316.387 -0.637 20 0 DBADRM CC[C@H](CNC(=O)[C@@H](F)CC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001531400526 1014858386 /nfs/dbraw/zinc/85/83/86/1014858386.db2.gz JJGDLLKHWHMZLA-SFYZADRCSA-N -1 0 317.321 -0.552 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CC(c2[nH]nc3c2COCC3)C1 ZINC001363680876 982569973 /nfs/dbraw/zinc/56/99/73/982569973.db2.gz OFDJWJPKIDTANW-UHFFFAOYSA-N -1 0 303.326 -0.446 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)cc1=O ZINC001363687115 982572470 /nfs/dbraw/zinc/57/24/70/982572470.db2.gz LBPFKVZHKPDWMU-VIFPVBQESA-N -1 0 308.338 -0.771 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H](O)CC2(CCOCC2)C1 ZINC001363722783 982590746 /nfs/dbraw/zinc/59/07/46/982590746.db2.gz QYOCANWIVDJYDF-VIFPVBQESA-N -1 0 312.326 -0.921 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N1CC[C@@H](c3nnn[n-]3)C1)CC2 ZINC001363727695 982591479 /nfs/dbraw/zinc/59/14/79/982591479.db2.gz WDXIPFONYZFSOE-ZJUUUORDSA-N -1 0 302.342 -0.322 20 0 DBADRM O=C(NCCS(=O)(=O)N1CCCC1)c1c[n-]ncc1=O ZINC001363758575 982611800 /nfs/dbraw/zinc/61/18/00/982611800.db2.gz FCIAWLTVXPEMHH-UHFFFAOYSA-N -1 0 300.340 -0.662 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(F)F ZINC001531337727 1014855163 /nfs/dbraw/zinc/85/51/63/1014855163.db2.gz GARMLLSTXBGULM-YFKPBYRVSA-N -1 0 319.268 -0.437 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC2(CCNC(=O)O2)CC1 ZINC001363796933 982641247 /nfs/dbraw/zinc/64/12/47/982641247.db2.gz UTDFNVUASXRNGT-UHFFFAOYSA-N -1 0 309.282 -0.613 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N(Cc2nnn[n-]2)CC(C)C)nn1 ZINC001363800257 982644497 /nfs/dbraw/zinc/64/44/97/982644497.db2.gz JPYUKCOMMIXLDK-JTQLQIEISA-N -1 0 322.373 -0.140 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@@]1(O)CCOC1 ZINC001363837290 982666673 /nfs/dbraw/zinc/66/66/73/982666673.db2.gz JBDPVNODORFTLN-NSHDSACASA-N -1 0 305.308 -0.504 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1 ZINC001363882978 982692742 /nfs/dbraw/zinc/69/27/42/982692742.db2.gz HNJWIDRGAKCVSV-JTQLQIEISA-N -1 0 306.278 -0.280 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1CC12CC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001531518555 1014869267 /nfs/dbraw/zinc/86/92/67/1014869267.db2.gz MXMOAWOCWYDKKZ-JGVFFNPUSA-N -1 0 321.337 -0.293 20 0 DBADRM COC[C@@H](O)CNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001363918805 982720827 /nfs/dbraw/zinc/72/08/27/982720827.db2.gz YKJDRDMGXPIKFY-JTQLQIEISA-N -1 0 321.337 -0.690 20 0 DBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)Cc1noc(C2CC2)n1 ZINC001363925157 982725982 /nfs/dbraw/zinc/72/59/82/982725982.db2.gz IAWVNBWDAIIELI-ZETCQYMHSA-N -1 0 307.303 -0.123 20 0 DBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CC(=O)NC ZINC001363926289 982728029 /nfs/dbraw/zinc/72/80/29/982728029.db2.gz JMQWIBUNFOJNLZ-LURJTMIESA-N -1 0 320.289 -0.464 20 0 DBADRM CNC(=O)N[C@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001363965162 982752547 /nfs/dbraw/zinc/75/25/47/982752547.db2.gz AEMGWAQGESFGIY-VIFPVBQESA-N -1 0 318.337 -0.444 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNS(=O)(=O)c1ncc[n-]1 ZINC001363967527 982754799 /nfs/dbraw/zinc/75/47/99/982754799.db2.gz HGXVOSMIEKJUME-DTWKUNHWSA-N -1 0 322.412 -0.594 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@]1(O)CCO[C@H]1C ZINC001363971160 982756778 /nfs/dbraw/zinc/75/67/78/982756778.db2.gz RKGKCWIOQILNHL-VHSXEESVSA-N -1 0 314.429 -0.132 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@]1(O)CCO[C@@H]1C ZINC001363971149 982757679 /nfs/dbraw/zinc/75/76/79/982757679.db2.gz RKGKCWIOQILNHL-NXEZZACHSA-N -1 0 314.429 -0.132 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001363973450 982760328 /nfs/dbraw/zinc/76/03/28/982760328.db2.gz LEMPMAKHMOXQOI-VIFPVBQESA-N -1 0 303.340 -0.656 20 0 DBADRM CC(=O)NCc1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001531909834 1014878687 /nfs/dbraw/zinc/87/86/87/1014878687.db2.gz IEXUTMBQFKJGOL-UHFFFAOYSA-N -1 0 319.321 -0.358 20 0 DBADRM Cn1cncc1C1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001363978914 982763078 /nfs/dbraw/zinc/76/30/78/982763078.db2.gz JYNJAEAZTYUUQO-UHFFFAOYSA-N -1 0 306.326 -0.171 20 0 DBADRM CC(C)(C)OC(=O)CNS(=O)(=O)CCN1CCOC1=O ZINC001363983696 982766538 /nfs/dbraw/zinc/76/65/38/982766538.db2.gz QYGGUFSOQLPFAL-UHFFFAOYSA-N -1 0 308.356 -0.300 20 0 DBADRM COc1cc(CS(=O)(=O)NCCc2nc(=O)o[n-]2)sn1 ZINC001363987342 982768471 /nfs/dbraw/zinc/76/84/71/982768471.db2.gz RYZGAAYRHFZDFC-UHFFFAOYSA-N -1 0 320.352 -0.510 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@H](O)[C@H]1CCCO1 ZINC001363992539 982772303 /nfs/dbraw/zinc/77/23/03/982772303.db2.gz ICKWXLAABUXTOL-DTWKUNHWSA-N -1 0 300.315 -0.874 20 0 DBADRM C[S@](=O)(=NS(=O)(=O)[N-]C1(C(N)=O)CC1)c1ccccc1 ZINC001363994418 982773413 /nfs/dbraw/zinc/77/34/13/982773413.db2.gz YJQGVMBJSVITMK-LJQANCHMSA-N -1 0 317.392 -0.004 20 0 DBADRM COC(=O)[C@@]1(C)C[C@@H](OC)CN1S(=O)(=O)c1ncc[n-]1 ZINC001364022373 982791414 /nfs/dbraw/zinc/79/14/14/982791414.db2.gz HDJOAVVWSVDXQN-LDYMZIIASA-N -1 0 303.340 -0.249 20 0 DBADRM COC[C@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)c1nnn[n-]1 ZINC001364021231 982791534 /nfs/dbraw/zinc/79/15/34/982791534.db2.gz FECFHKMENLWLPR-BDAKNGLRSA-N -1 0 312.374 -0.056 20 0 DBADRM NC(=O)[C@H]1C[C@H](NS(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC001364024738 982793732 /nfs/dbraw/zinc/79/37/32/982793732.db2.gz NFQNNMVJOUHENX-URHBZAFASA-N -1 0 312.273 -0.029 20 0 DBADRM Cn1cnc(S(=O)(=O)NCc2nc(C(N)=O)co2)c1Cl ZINC001364034639 982800442 /nfs/dbraw/zinc/80/04/42/982800442.db2.gz YKALNMZQSLLFDB-UHFFFAOYSA-N -1 0 319.730 -0.361 20 0 DBADRM COCC1(NS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CCCC1 ZINC001364034186 982801182 /nfs/dbraw/zinc/80/11/82/982801182.db2.gz XYEAKMYLFMADQO-UHFFFAOYSA-N -1 0 317.367 -0.277 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]c1nnn(C)n1 ZINC001364043038 982804556 /nfs/dbraw/zinc/80/45/56/982804556.db2.gz VISWXHTZHOEUAY-HTQZYQBOSA-N -1 0 303.344 -0.316 20 0 DBADRM CO[C@H]1COCC[C@H]1CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001364045128 982804793 /nfs/dbraw/zinc/80/47/93/982804793.db2.gz BXFNYNUFDZAFGC-YUMQZZPRSA-N -1 0 318.355 -0.412 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3c[n-]ncc3=O)C[C@H]21 ZINC001364042381 982805677 /nfs/dbraw/zinc/80/56/77/982805677.db2.gz KKBIJUPHFKOZHC-GDPRMGEGSA-N -1 0 313.335 -0.934 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001364047620 982806242 /nfs/dbraw/zinc/80/62/42/982806242.db2.gz GVYZKQZGGJUDQR-PHDIDXHHSA-N -1 0 302.312 -0.654 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CC[C@@H]1CCCCO1)[C@@H](C)O ZINC001364051469 982808516 /nfs/dbraw/zinc/80/85/16/982808516.db2.gz VOLALUFYBNKWLJ-VWYCJHECSA-N -1 0 309.384 -0.213 20 0 DBADRM CCOC(=O)CC1([N-]S(=O)(=O)Cc2ccno2)COC1 ZINC001364066507 982814704 /nfs/dbraw/zinc/81/47/04/982814704.db2.gz VTTFMWVAOKHGRA-UHFFFAOYSA-N -1 0 304.324 -0.184 20 0 DBADRM CC(=O)NCC(=O)NC[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001532068394 1014882812 /nfs/dbraw/zinc/88/28/12/1014882812.db2.gz FJXWMDISMGAJPT-ZETCQYMHSA-N -1 0 311.342 -0.958 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)C(F)F ZINC001532051553 1014882850 /nfs/dbraw/zinc/88/28/50/1014882850.db2.gz XKQMCZOHVGOWEP-SCSAIBSYSA-N -1 0 305.241 -0.970 20 0 DBADRM O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1c([O-])cc(F)cc1F ZINC001364085573 982822534 /nfs/dbraw/zinc/82/25/34/982822534.db2.gz ROWBFCZDHUSXNV-GFCCVEGCSA-N -1 0 321.301 -0.050 20 0 DBADRM COC(=O)c1c(OCCO)n[nH]c1NC(=O)c1cnn(C)c1C ZINC001364104005 982827723 /nfs/dbraw/zinc/82/77/23/982827723.db2.gz MKQYMWVJXFJXAP-UHFFFAOYSA-N -1 0 323.309 -0.138 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]CC(=O)c1cnn(C)c1 ZINC001364117681 982832443 /nfs/dbraw/zinc/83/24/43/982832443.db2.gz KXOYUQVHMSCTCG-UHFFFAOYSA-N -1 0 322.412 -0.055 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC2(CCOCC2)CC[C@@H]1CO ZINC001364189279 982851448 /nfs/dbraw/zinc/85/14/48/982851448.db2.gz IZHNWSHRCJEXAQ-SECBINFHSA-N -1 0 324.337 -0.324 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)N(C)c2nnn[n-]2)cc1 ZINC001364190521 982851521 /nfs/dbraw/zinc/85/15/21/982851521.db2.gz DULDONPFLYCAMY-UHFFFAOYSA-N -1 0 310.339 -0.551 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2cccc(Cl)c2[O-])C[C@H]1C(N)=O ZINC001364199253 982853920 /nfs/dbraw/zinc/85/39/20/982853920.db2.gz FENWNHLUYBBUPN-HTQZYQBOSA-N -1 0 311.725 -0.296 20 0 DBADRM O=C(NCc1nc2c(c(=O)[nH]1)COCC2)N[C@@H](CO)CCF ZINC001364333646 982909214 /nfs/dbraw/zinc/90/92/14/982909214.db2.gz QSCRHRIMLURNFU-MRVPVSSYSA-N -1 0 314.317 -0.225 20 0 DBADRM O=C([O-])CN1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1 ZINC000926583643 982910906 /nfs/dbraw/zinc/91/09/06/982910906.db2.gz VTSWKWUHVWEHJT-LLVKDONJSA-N -1 0 306.384 -0.413 20 0 DBADRM O=C([O-])CN1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1 ZINC000926583644 982911025 /nfs/dbraw/zinc/91/10/25/982911025.db2.gz VTSWKWUHVWEHJT-NSHDSACASA-N -1 0 306.384 -0.413 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC2(C1)CCNC(=O)O2 ZINC001364366574 982943873 /nfs/dbraw/zinc/94/38/73/982943873.db2.gz OAFHKADZVBHSSX-UHFFFAOYSA-N -1 0 303.278 -0.653 20 0 DBADRM NS(=O)(=O)C1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC001364378441 982950105 /nfs/dbraw/zinc/95/01/05/982950105.db2.gz RTWSVUYPSJERIG-UHFFFAOYSA-N -1 0 311.367 -0.725 20 0 DBADRM O=C([C@@H]1CCn2cncc2C1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001364382354 982951592 /nfs/dbraw/zinc/95/15/92/982951592.db2.gz CFJIOSGCJNVGIO-MWLCHTKSSA-N -1 0 303.326 -0.441 20 0 DBADRM COc1cc(=O)[nH]cc1C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001364384444 982954289 /nfs/dbraw/zinc/95/42/89/982954289.db2.gz VPARFTLGMXILHX-MRVPVSSYSA-N -1 0 306.282 -0.477 20 0 DBADRM CO[C@@H](C(=O)N1CCOC[C@@H]1c1nnn[n-]1)c1cnn(C)c1 ZINC001364383110 982954454 /nfs/dbraw/zinc/95/44/54/982954454.db2.gz MUFQSCIXYAJMSX-NXEZZACHSA-N -1 0 307.314 -0.779 20 0 DBADRM Nc1nc2nc(CN3CCO[C@H](C(=O)C4CC4)C3)cc(=O)n2[n-]1 ZINC001364394706 982955174 /nfs/dbraw/zinc/95/51/74/982955174.db2.gz RSWICXFTGHTRST-JTQLQIEISA-N -1 0 318.337 -0.820 20 0 DBADRM Cn1cc([C@]2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CCCO2)cn1 ZINC001364412664 982965282 /nfs/dbraw/zinc/96/52/82/982965282.db2.gz ZMWJFAJYNUFIKL-CYBMUJFWSA-N -1 0 322.325 -0.755 20 0 DBADRM Cc1nc(CN(C)CCCNC(=O)c2n[nH]c(=O)[n-]c2=O)co1 ZINC001490222641 1014897218 /nfs/dbraw/zinc/89/72/18/1014897218.db2.gz PNSZOUQIYSHXIO-UHFFFAOYSA-N -1 0 322.325 -0.169 20 0 DBADRM Cn1nccc1CN1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC001364450343 982996678 /nfs/dbraw/zinc/99/66/78/982996678.db2.gz CHDVLKAMBZFPOP-UHFFFAOYSA-N -1 0 304.354 -0.183 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCC(c3nnn[n-]3)CC2)nn1 ZINC001364531388 983042000 /nfs/dbraw/zinc/04/20/00/983042000.db2.gz VMHXTPCONMCYTK-MRVPVSSYSA-N -1 0 306.330 -0.749 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC001364602578 983066532 /nfs/dbraw/zinc/06/65/32/983066532.db2.gz GQMWWRUAJCFPEG-MRVPVSSYSA-N -1 0 311.367 -0.271 20 0 DBADRM Cn1[n-]c(C(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)cc1=O ZINC001364619769 983074315 /nfs/dbraw/zinc/07/43/15/983074315.db2.gz DUGJGGRHIQVDAC-UHFFFAOYSA-N -1 0 305.294 -0.347 20 0 DBADRM COCCN1C[C@H](C(=O)NC2(c3nnn[n-]3)CCC2)CC1=O ZINC001364663454 983086931 /nfs/dbraw/zinc/08/69/31/983086931.db2.gz PMLBOSFFEDXYCM-SECBINFHSA-N -1 0 308.342 -0.810 20 0 DBADRM CCc1noc(COCC(=O)NC2(c3nnn[n-]3)CCC2)n1 ZINC001364663350 983088209 /nfs/dbraw/zinc/08/82/09/983088209.db2.gz OHPVPSWUZLOPHM-UHFFFAOYSA-N -1 0 307.314 -0.143 20 0 DBADRM COc1ccc(CCNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1O ZINC001364700042 983098892 /nfs/dbraw/zinc/09/88/92/983098892.db2.gz RJKHYONITZYXJO-UHFFFAOYSA-N -1 0 306.278 -0.031 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCCN1CC(F)(F)F ZINC001364733370 983113904 /nfs/dbraw/zinc/11/39/04/983113904.db2.gz VZEAHEMWGGMWLT-ZETCQYMHSA-N -1 0 323.275 -0.168 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001364739786 983114613 /nfs/dbraw/zinc/11/46/13/983114613.db2.gz GHDXJORTAQCBFA-WDSKDSINSA-N -1 0 310.232 -0.085 20 0 DBADRM CCOC(=O)c1n[nH]c(CNCc2cnc3n2CCOC3)n1 ZINC001364750286 983119358 /nfs/dbraw/zinc/11/93/58/983119358.db2.gz IXJHJXADMKDZDF-UHFFFAOYSA-N -1 0 306.326 -0.002 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@@H]1CCCS(=O)(=O)C1 ZINC001364768144 983127199 /nfs/dbraw/zinc/12/71/99/983127199.db2.gz QNLUOSGBPOUHGH-SSDOTTSWSA-N -1 0 304.415 -0.874 20 0 DBADRM CCS(=O)(=O)CC[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001364794745 983138129 /nfs/dbraw/zinc/13/81/29/983138129.db2.gz HGGIDAXKLABIMM-UHFFFAOYSA-N -1 0 318.442 -0.483 20 0 DBADRM COC[C@H](NS(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1)C(N)=O ZINC001364796336 983139937 /nfs/dbraw/zinc/13/99/37/983139937.db2.gz GAJZVTFTGDKDLZ-DCAQKATOSA-N -1 0 306.384 -0.636 20 0 DBADRM COC[C@@H](O)CC[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001364812044 983146094 /nfs/dbraw/zinc/14/60/94/983146094.db2.gz CDITYSJXHCGKFA-QMMMGPOBSA-N -1 0 307.324 -0.258 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)c1cccs1)c1nnn[n-]1 ZINC001364811643 983147540 /nfs/dbraw/zinc/14/75/40/983147540.db2.gz BQZFLCDTIWCLAU-ZETCQYMHSA-N -1 0 310.339 -0.505 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1nnn[n-]1 ZINC001364812606 983148288 /nfs/dbraw/zinc/14/82/88/983148288.db2.gz FBGDKIJLRXKLHY-KOLCDFICSA-N -1 0 322.369 -0.206 20 0 DBADRM COC[C@H](NC(=O)Cc1cn2c(n1)CCCC2)c1nnn[n-]1 ZINC001364816142 983152709 /nfs/dbraw/zinc/15/27/09/983152709.db2.gz SWAFUQWQNVQOSD-JTQLQIEISA-N -1 0 305.342 -0.221 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1cc(OC)ns1 ZINC001364829180 983160906 /nfs/dbraw/zinc/16/09/06/983160906.db2.gz DDFSAMIBCOJBPL-MRVPVSSYSA-N -1 0 324.380 -0.505 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@@H]1CC2(CCC2)CO1 ZINC001364829795 983160921 /nfs/dbraw/zinc/16/09/21/983160921.db2.gz JEZWHWVKIYQXTP-WDEREUQCSA-N -1 0 321.395 -0.211 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@H]1CC2(CCC2)CO1 ZINC001364829789 983161145 /nfs/dbraw/zinc/16/11/45/983161145.db2.gz JEZWHWVKIYQXTP-GHMZBOCLSA-N -1 0 321.395 -0.211 20 0 DBADRM O=c1nc(CCNS(=O)(=O)C[C@H]2CCC3(CCC3)O2)[n-]o1 ZINC001364832436 983162261 /nfs/dbraw/zinc/16/22/61/983162261.db2.gz IEEOCAVHWFTXEO-SECBINFHSA-N -1 0 317.367 -0.074 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)CC1(C)CCOCC1)C(=O)OC ZINC001364831866 983162401 /nfs/dbraw/zinc/16/24/01/983162401.db2.gz VMKBNHIZSWGSPL-SNVBAGLBSA-N -1 0 309.384 -0.090 20 0 DBADRM O=c1nc(CCNS(=O)(=O)C[C@H]2CC3(CCC3)CO2)[n-]o1 ZINC001364834460 983162457 /nfs/dbraw/zinc/16/24/57/983162457.db2.gz SMZMSHKOYFTMQI-SECBINFHSA-N -1 0 317.367 -0.216 20 0 DBADRM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)c1nnn[n-]1)C2=O ZINC001532480264 1014918911 /nfs/dbraw/zinc/91/89/11/1014918911.db2.gz AVXZYWMAYIQELL-OQPBUACISA-N -1 0 321.341 -0.337 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@H](CO)C1CCOCC1 ZINC001364855501 983170920 /nfs/dbraw/zinc/17/09/20/983170920.db2.gz BNHVZGCVPBDCNV-SECBINFHSA-N -1 0 300.402 -0.664 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ncc[n-]1 ZINC001364856835 983171840 /nfs/dbraw/zinc/17/18/40/983171840.db2.gz BPIMTFSYYIJUJF-JGVFFNPUSA-N -1 0 318.355 -0.856 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ncc[n-]1 ZINC001364856837 983172698 /nfs/dbraw/zinc/17/26/98/983172698.db2.gz BPIMTFSYYIJUJF-SFYZADRCSA-N -1 0 318.355 -0.856 20 0 DBADRM CC(C)[C@@](C)([N-]S(=O)(=O)N=S1(=O)CCCC1)C(N)=O ZINC001364860298 983174478 /nfs/dbraw/zinc/17/44/78/983174478.db2.gz ZAKIZKNAZZYNCD-SNVBAGLBSA-N -1 0 311.429 -0.017 20 0 DBADRM O=c1ccc(C[N-]S(=O)(=O)N=S2(=O)CCCC2)n[nH]1 ZINC001364873159 983178973 /nfs/dbraw/zinc/17/89/73/983178973.db2.gz ZGFXOXVKEKPFAK-UHFFFAOYSA-N -1 0 306.369 -0.222 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001364889180 983187350 /nfs/dbraw/zinc/18/73/50/983187350.db2.gz RMVSUPLRGVQQQX-UHFFFAOYSA-N -1 0 320.396 -0.792 20 0 DBADRM CC[C@@H]1C(=O)NCCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001364919948 983199554 /nfs/dbraw/zinc/19/95/54/983199554.db2.gz SEIMUHNUMJDJEI-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(Cc3nncn3C)CC2)c1[O-] ZINC001364949609 983209040 /nfs/dbraw/zinc/20/90/40/983209040.db2.gz RBGOJEAURRZYBC-UHFFFAOYSA-N -1 0 305.342 -0.490 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC001365056731 983244438 /nfs/dbraw/zinc/24/44/38/983244438.db2.gz SRPUNNUQGBRAFD-SNVBAGLBSA-N -1 0 303.326 -0.667 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCS(=O)(=O)[C@@H](C)C1 ZINC001365056776 983244603 /nfs/dbraw/zinc/24/46/03/983244603.db2.gz UFYBGSBGFPNNEC-JGVFFNPUSA-N -1 0 302.360 -0.798 20 0 DBADRM Cc1noc(CNC(=O)NCc2nc3c(c(=O)[nH]2)COCC3)n1 ZINC001365104161 983258102 /nfs/dbraw/zinc/25/81/02/983258102.db2.gz PZJHEVSDGSLYQD-UHFFFAOYSA-N -1 0 320.309 -0.054 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2noc(C)n2)CCOC1 ZINC001365131074 983268736 /nfs/dbraw/zinc/26/87/36/983268736.db2.gz HJHSSCVUQPDDPP-SNVBAGLBSA-N -1 0 305.312 -0.870 20 0 DBADRM Cc1cc(N2CC[C@H](NS(=O)(=O)c3ncc[n-]3)C2=O)n(C)n1 ZINC001365133153 983269265 /nfs/dbraw/zinc/26/92/65/983269265.db2.gz GAJMMFJBOFPWKX-VIFPVBQESA-N -1 0 324.366 -0.465 20 0 DBADRM COC(=O)[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(C)C ZINC001365145961 983276011 /nfs/dbraw/zinc/27/60/11/983276011.db2.gz GBPVCRWLIGCHOQ-VIFPVBQESA-N -1 0 300.315 -0.217 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@](C)(O)COC ZINC001365152441 983278445 /nfs/dbraw/zinc/27/84/45/983278445.db2.gz XHJGOJMECXITTH-VIFPVBQESA-N -1 0 302.418 -0.274 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC001365200608 983294804 /nfs/dbraw/zinc/29/48/04/983294804.db2.gz CBVFKMDWAQIVHW-DTWKUNHWSA-N -1 0 314.371 -0.702 20 0 DBADRM COC(=O)[C@@H]1[C@H](O)CCCN1Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001365299658 983327622 /nfs/dbraw/zinc/32/76/22/983327622.db2.gz WRPZVLSFOAXAEU-YPMHNXCESA-N -1 0 323.349 -0.247 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001365380161 983356150 /nfs/dbraw/zinc/35/61/50/983356150.db2.gz LENPEOHINPBXIC-QMMMGPOBSA-N -1 0 321.307 -0.732 20 0 DBADRM COC[C@@H](O)CCNS(=O)(=O)c1n[nH]c(C)c1C(=O)OC ZINC001365391570 983360700 /nfs/dbraw/zinc/36/07/00/983360700.db2.gz ZTYJIRUOXBFESM-QMMMGPOBSA-N -1 0 321.355 -0.820 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001365390232 983361273 /nfs/dbraw/zinc/36/12/73/983361273.db2.gz NOUVJNFFGMMJBX-MRVPVSSYSA-N -1 0 323.353 -0.421 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365424372 983377301 /nfs/dbraw/zinc/37/73/01/983377301.db2.gz KJKLPESQBFAOKI-QWRGUYRKSA-N -1 0 324.385 -0.270 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001365452471 983392627 /nfs/dbraw/zinc/39/26/27/983392627.db2.gz VCVRXLZUUSNVSL-SECBINFHSA-N -1 0 322.412 -0.640 20 0 DBADRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2nnn(C)n2)c1 ZINC001365456347 983393428 /nfs/dbraw/zinc/39/34/28/983393428.db2.gz SAXUCZCHCUDBDJ-UHFFFAOYSA-N -1 0 310.339 -0.287 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001365501790 983403850 /nfs/dbraw/zinc/40/38/50/983403850.db2.gz YCNJRVDDSNXAQE-ZCFIWIBFSA-N -1 0 321.263 -0.600 20 0 DBADRM O=C(NC[C@@H]1CNC(=O)C1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365646287 983455630 /nfs/dbraw/zinc/45/56/30/983455630.db2.gz OYKMWOKQCZCTRD-DTWKUNHWSA-N -1 0 308.342 -0.465 20 0 DBADRM CCCn1nccc1NC(=O)C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001596122036 983461038 /nfs/dbraw/zinc/46/10/38/983461038.db2.gz QKSBHIIOEBIWAK-AWEZNQCLSA-N -1 0 324.337 -0.018 20 0 DBADRM CCN(C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)[C@@H]1CCOC1 ZINC001596127114 983467155 /nfs/dbraw/zinc/46/71/55/983467155.db2.gz AHBOPILEYUTJEH-MRVPVSSYSA-N -1 0 310.310 -0.306 20 0 DBADRM CC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)OC ZINC001365678753 983475424 /nfs/dbraw/zinc/47/54/24/983475424.db2.gz IWCWTZXLSFCISS-GJEGPGMTSA-N -1 0 301.390 -0.653 20 0 DBADRM CCN(C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)[C@H]1CCNC1=O ZINC001596128920 983475729 /nfs/dbraw/zinc/47/57/29/983475729.db2.gz WFECQIHCUHQZEZ-VIFPVBQESA-N -1 0 322.321 -0.601 20 0 DBADRM CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)OC ZINC001365678751 983476939 /nfs/dbraw/zinc/47/69/39/983476939.db2.gz IWCWTZXLSFCISS-BWKAKNAASA-N -1 0 301.390 -0.653 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H]1CCN(C)C(=O)C1 ZINC001365700167 983485734 /nfs/dbraw/zinc/48/57/34/983485734.db2.gz DMCPSJDMZRAHAJ-QMMMGPOBSA-N -1 0 316.335 -0.035 20 0 DBADRM COC(=O)C[C@]1(NS(=O)(=O)c2ncc[n-]2)CCCOC1 ZINC001365701482 983486880 /nfs/dbraw/zinc/48/68/80/983486880.db2.gz RRIOZZDAVMZBHH-LLVKDONJSA-N -1 0 303.340 -0.200 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001365702795 983486894 /nfs/dbraw/zinc/48/68/94/983486894.db2.gz DUWPYNKWFDATDY-SECBINFHSA-N -1 0 307.397 -0.003 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001365702227 983487830 /nfs/dbraw/zinc/48/78/30/983487830.db2.gz OOGXCSPVXNCDMQ-MRVPVSSYSA-N -1 0 308.385 -0.901 20 0 DBADRM CCN(C(=O)CCNC(=O)CO)c1ncc(C(=O)[O-])s1 ZINC001596137832 983487959 /nfs/dbraw/zinc/48/79/59/983487959.db2.gz UKPIHUINHPBTSI-UHFFFAOYSA-N -1 0 301.324 -0.307 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H]1C(=O)OCC1(C)C ZINC001365713586 983496036 /nfs/dbraw/zinc/49/60/36/983496036.db2.gz QINKTYQATVBSHA-SSDOTTSWSA-N -1 0 317.323 -0.574 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)OC)C(=O)NC ZINC001365715157 983496790 /nfs/dbraw/zinc/49/67/90/983496790.db2.gz JWZVYZLNKHUBFP-SSDOTTSWSA-N -1 0 318.355 -0.692 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)N2CC[C@H](O)[C@H](CO)C2)c1 ZINC001365715208 983497001 /nfs/dbraw/zinc/49/70/01/983497001.db2.gz MDTDKKKTFGQSIW-ONGXEEELSA-N -1 0 317.363 -0.235 20 0 DBADRM Cn1nccc1[C@@H](O)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001365740803 983516512 /nfs/dbraw/zinc/51/65/12/983516512.db2.gz WFGTWWUATHRXDA-JTQLQIEISA-N -1 0 322.412 -0.450 20 0 DBADRM COC(=O)C(F)(F)C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001365745663 983519063 /nfs/dbraw/zinc/51/90/63/983519063.db2.gz XMWAHDLMNDPJBA-GOSISDBHSA-N -1 0 323.343 -0.797 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H]1CC2(CO1)CCOCC2 ZINC001365821489 983542400 /nfs/dbraw/zinc/54/24/00/983542400.db2.gz JJLSBVSNCKRZRM-SNVBAGLBSA-N -1 0 310.358 -0.178 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC[C@H]1CCCS1(=O)=O ZINC001365823197 983544309 /nfs/dbraw/zinc/54/43/09/983544309.db2.gz PNXFFMNNUNYVLA-MRVPVSSYSA-N -1 0 302.360 -0.796 20 0 DBADRM O=C(CCc1c[nH]cn1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001365935515 983598813 /nfs/dbraw/zinc/59/88/13/983598813.db2.gz CTGSPYOJIAHTGX-NSHDSACASA-N -1 0 319.369 -0.053 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366180113 983733177 /nfs/dbraw/zinc/73/31/77/983733177.db2.gz KQNSVACFPWUGBY-MWLCHTKSSA-N -1 0 324.385 -0.637 20 0 DBADRM CCC(=O)NCC(=O)N1CCC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001366432351 983830401 /nfs/dbraw/zinc/83/04/01/983830401.db2.gz ZAHVSJKUIXJCFU-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM CN(CCNC(=O)COCc1nccn1C)Cc1n[nH]c(=O)[n-]1 ZINC001366541251 983852880 /nfs/dbraw/zinc/85/28/80/983852880.db2.gz YDQYDBBJJKNQON-UHFFFAOYSA-N -1 0 323.357 -0.991 20 0 DBADRM Cc1cc(COCC(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001366540949 983853545 /nfs/dbraw/zinc/85/35/45/983853545.db2.gz ODSIDJBRQOIZKV-UHFFFAOYSA-N -1 0 324.341 -0.428 20 0 DBADRM CN(CCNC(=O)c1cc2n(n1)CCCO2)Cc1n[nH]c(=O)[n-]1 ZINC001366547341 983856098 /nfs/dbraw/zinc/85/60/98/983856098.db2.gz WWBAUUFFUDKFRL-UHFFFAOYSA-N -1 0 321.341 -0.649 20 0 DBADRM CCN(CCNC(=O)c1cnn(C)c1C)Cc1n[nH]c(=O)[n-]1 ZINC001366598710 983873257 /nfs/dbraw/zinc/87/32/57/983873257.db2.gz HKUINMVETPMOHS-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM C[C@H](C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001366597174 983873512 /nfs/dbraw/zinc/87/35/12/983873512.db2.gz QXLRZQXLBVPWIF-VIFPVBQESA-N -1 0 307.358 -0.405 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])Cc1nc(=O)n(C)[nH]1 ZINC001366611775 983877709 /nfs/dbraw/zinc/87/77/09/983877709.db2.gz JHJOPEJCVQMTQO-UHFFFAOYSA-N -1 0 323.357 -0.903 20 0 DBADRM CCCN(CCNC(=O)c1cnn(CC)n1)Cc1n[nH]c(=O)[n-]1 ZINC001366716886 983941079 /nfs/dbraw/zinc/94/10/79/983941079.db2.gz KBKHLQNDLHYHPM-UHFFFAOYSA-N -1 0 322.373 -0.236 20 0 DBADRM O=C(CCc1ccccn1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366932019 984068299 /nfs/dbraw/zinc/06/82/99/984068299.db2.gz NHNWWLSZEFSTCG-UHFFFAOYSA-N -1 0 302.338 -0.162 20 0 DBADRM O=C(CCc1ccc(=O)[nH]c1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366936368 984071813 /nfs/dbraw/zinc/07/18/13/984071813.db2.gz IXMYDACLIMEFFV-UHFFFAOYSA-N -1 0 318.337 -0.456 20 0 DBADRM O=C(CCn1ccnc1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001367011908 984124126 /nfs/dbraw/zinc/12/41/26/984124126.db2.gz KOXUZHLMDIPNJT-JTQLQIEISA-N -1 0 305.342 -0.512 20 0 DBADRM CO[C@H](C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001367058782 984172576 /nfs/dbraw/zinc/17/25/76/984172576.db2.gz UKERMBQDAGRAOW-PWSUYJOCSA-N -1 0 309.370 -0.032 20 0 DBADRM Cc1cnc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001367497849 984321127 /nfs/dbraw/zinc/32/11/27/984321127.db2.gz GHEJVOKMESPZAE-UHFFFAOYSA-N -1 0 305.342 -0.187 20 0 DBADRM CN(CCN(C)C(=O)c1csc(=O)[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001367532837 984337874 /nfs/dbraw/zinc/33/78/74/984337874.db2.gz DMDIXIAEQOUAMS-UHFFFAOYSA-N -1 0 312.355 -0.124 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001367532691 984340260 /nfs/dbraw/zinc/34/02/60/984340260.db2.gz GEEPHWWBACTHIW-UHFFFAOYSA-N -1 0 321.341 -0.482 20 0 DBADRM CCn1ncc(CNC[C@H](C)NC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001367731078 984574592 /nfs/dbraw/zinc/57/45/92/984574592.db2.gz OPLYHGCTJNWXTM-QMMMGPOBSA-N -1 0 307.358 -0.057 20 0 DBADRM C[C@@H](CNCc1cscn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001367741198 984584803 /nfs/dbraw/zinc/58/48/03/984584803.db2.gz UHKQVHVEJOASQI-LURJTMIESA-N -1 0 310.339 -0.353 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cn2c(n1)CCC2 ZINC001367805432 984635273 /nfs/dbraw/zinc/63/52/73/984635273.db2.gz LHRSOFCEMWRUQZ-VIFPVBQESA-N -1 0 319.369 -0.097 20 0 DBADRM O=C(Cn1ccccc1=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001367975637 984824637 /nfs/dbraw/zinc/82/46/37/984824637.db2.gz IMPBSMCRJKSATQ-JTQLQIEISA-N -1 0 318.337 -0.937 20 0 DBADRM CCCNC(=O)CN1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001368070477 984858758 /nfs/dbraw/zinc/85/87/58/984858758.db2.gz UWOKCVVEULIIMK-UHFFFAOYSA-N -1 0 309.370 -0.294 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368177453 984895994 /nfs/dbraw/zinc/89/59/94/984895994.db2.gz NACYFVZHLYNFBT-QMTHXVAHSA-N -1 0 324.385 -0.494 20 0 DBADRM C[C@@]1(CNC(=O)c2cnon2)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368233173 984923147 /nfs/dbraw/zinc/92/31/47/984923147.db2.gz YSOKHUXZSURHBX-ZDUSSCGKSA-N -1 0 321.341 -0.075 20 0 DBADRM Cc1[nH]ccc1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368289235 985042107 /nfs/dbraw/zinc/04/21/07/985042107.db2.gz LSCFYMYJDGMYNG-UHFFFAOYSA-N -1 0 306.326 -0.876 20 0 DBADRM CCCC[C@H](C)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368297206 985059068 /nfs/dbraw/zinc/05/90/68/985059068.db2.gz PEVTXRRGSJUEII-JTQLQIEISA-N -1 0 311.386 -0.001 20 0 DBADRM CN(CCCN(C)C(=O)[C@@]1(F)CCOC1)Cc1n[nH]c(=O)[n-]1 ZINC001368557951 985270667 /nfs/dbraw/zinc/27/06/67/985270667.db2.gz HYHRPJBRZZXJOE-CYBMUJFWSA-N -1 0 315.349 -0.081 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001368592285 985296906 /nfs/dbraw/zinc/29/69/06/985296906.db2.gz WXRMRHTXQPBQMZ-IUCAKERBSA-N -1 0 311.342 -0.995 20 0 DBADRM O=C(C(F)F)N1CCC[C@H](N(CCO)Cc2n[nH]c(=O)[n-]2)C1 ZINC001368711530 985367062 /nfs/dbraw/zinc/36/70/62/985367062.db2.gz RVTFDLFZOJDGEB-QMMMGPOBSA-N -1 0 319.312 -0.439 20 0 DBADRM Cc1cnc(CN[C@@H](C)[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001368898828 985550940 /nfs/dbraw/zinc/55/09/40/985550940.db2.gz OQYNAHWPOYYKSN-DTWKUNHWSA-N -1 0 324.341 -0.331 20 0 DBADRM Cc1nc(CN(C)[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)co1 ZINC001368966878 985615170 /nfs/dbraw/zinc/61/51/70/985615170.db2.gz HFHMEBYNUUXVCD-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM Cn1cccc1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369016254 985654995 /nfs/dbraw/zinc/65/49/95/985654995.db2.gz FLAIPDCUIRTKCV-UHFFFAOYSA-N -1 0 320.353 -0.784 20 0 DBADRM C[C@H](NC(=O)[C@]1(F)CCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369090645 985712063 /nfs/dbraw/zinc/71/20/63/985712063.db2.gz OCLYJRXVMDNXLJ-SDBXPKJASA-N -1 0 313.333 -0.425 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)N[C@H](C)c2nnnn2C)c1[O-] ZINC001369239527 985822487 /nfs/dbraw/zinc/82/24/87/985822487.db2.gz JCWWGLOUYHTGPB-VXNVDRBHSA-N -1 0 322.373 -0.241 20 0 DBADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)Cn1ncn(C)c1=O ZINC001589261207 985919888 /nfs/dbraw/zinc/91/98/88/985919888.db2.gz XEDMOBRABGTZDB-UHFFFAOYSA-N -1 0 307.266 -0.551 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC/C=C/CNC(=O)C1CC=CC1 ZINC001533436785 1015175087 /nfs/dbraw/zinc/17/50/87/1015175087.db2.gz XJHONVZUUKARJO-ONEGZZNKSA-N -1 0 321.337 -0.556 20 0 DBADRM O=C(COc1ccccc1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001369371042 986001227 /nfs/dbraw/zinc/00/12/27/986001227.db2.gz NBAYRDMGURVIKS-JTQLQIEISA-N -1 0 321.337 -0.844 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2cncn2C)c1[O-] ZINC001533462049 1015179480 /nfs/dbraw/zinc/17/94/80/1015179480.db2.gz ZACJMVVZYQCKIL-ARJAWSKDSA-N -1 0 318.337 -0.127 20 0 DBADRM CCNC(=O)C(C)(C)NS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001596450486 1017149361 /nfs/dbraw/zinc/14/93/61/1017149361.db2.gz FRQFLVARBDCJKB-UHFFFAOYSA-N -1 0 315.351 -0.027 20 0 DBADRM O=C(NCC=CCNC(=O)[C@@H]1CC12CC2)c1n[nH]c(=O)[n-]c1=O ZINC001533575370 1015198191 /nfs/dbraw/zinc/19/81/91/1015198191.db2.gz GFKGNCYRJFYKSJ-JQSQLHRZSA-N -1 0 319.321 -0.515 20 0 DBADRM CCC(=O)NCC(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001369756965 986348555 /nfs/dbraw/zinc/34/85/55/986348555.db2.gz JUJQDXHQRMFJBQ-UHFFFAOYSA-N -1 0 324.385 -0.541 20 0 DBADRM CCC(=O)NC[C@H](C)N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001369756289 986350003 /nfs/dbraw/zinc/35/00/03/986350003.db2.gz AXLLNBVLNMYXFX-VIFPVBQESA-N -1 0 320.353 -0.556 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2ccc(S(C)(=O)=O)o2)C1=O ZINC001596444943 1017150518 /nfs/dbraw/zinc/15/05/18/1017150518.db2.gz JSQPJZYFZJGMAQ-UHFFFAOYSA-N -1 0 301.280 -0.778 20 0 DBADRM C[C@H](CNC(=O)[C@]1(C)C=CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001533848254 1015219682 /nfs/dbraw/zinc/21/96/82/1015219682.db2.gz VRDGKZMXAICUKJ-YMTOWFKASA-N -1 0 323.353 -0.334 20 0 DBADRM C/C(=C/C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001533848146 1015221199 /nfs/dbraw/zinc/22/11/99/1015221199.db2.gz FYLGEVISLZUTRY-BZJXQOFCSA-N -1 0 323.353 -0.334 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CC12CC2)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001369955484 986494108 /nfs/dbraw/zinc/49/41/08/986494108.db2.gz BIXJNMDQLMLXJV-BDAKNGLRSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CC12CC2)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001369955485 986496621 /nfs/dbraw/zinc/49/66/21/986496621.db2.gz BIXJNMDQLMLXJV-DTWKUNHWSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(CC1CC1)NC[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001370313441 986692417 /nfs/dbraw/zinc/69/24/17/986692417.db2.gz CXKJNPAUIUFRAG-KYZUINATSA-N -1 0 321.337 -0.293 20 0 DBADRM CCCCC(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001534680475 1015263602 /nfs/dbraw/zinc/26/36/02/1015263602.db2.gz AOLDXHXRGPNBTB-MRVPVSSYSA-N -1 0 309.326 -0.196 20 0 DBADRM CCN1C[C@@H](C(=O)NCCNC(=O)c2[nH]nc(C)c2[O-])CC1=O ZINC001491233886 1015300891 /nfs/dbraw/zinc/30/08/91/1015300891.db2.gz XCYVCGVUPNRHFK-VIFPVBQESA-N -1 0 323.353 -0.862 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2cccc(=O)n2C)c1[O-] ZINC001491233279 1015302312 /nfs/dbraw/zinc/30/23/12/1015302312.db2.gz SXMKOVRXQUVKAI-UHFFFAOYSA-N -1 0 319.321 -0.718 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)NC2CC(C(=O)[O-])C2)CC1 ZINC001596462100 1017152466 /nfs/dbraw/zinc/15/24/66/1017152466.db2.gz RVMORQJSJAZIBJ-UHFFFAOYSA-N -1 0 312.370 -0.687 20 0 DBADRM CC[C@H](C)C(=O)N1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001534952580 1015311440 /nfs/dbraw/zinc/31/14/40/1015311440.db2.gz YGAIYFOCIVDHIL-DTWKUNHWSA-N -1 0 311.342 -0.548 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1(C)CC1 ZINC001371610573 987441070 /nfs/dbraw/zinc/44/10/70/987441070.db2.gz KMEGLDKPESQYAH-VIFPVBQESA-N -1 0 323.353 -0.451 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1C(=O)c1ccoc1 ZINC001534949804 1015310894 /nfs/dbraw/zinc/31/08/94/1015310894.db2.gz HIOULBHZPQBRPX-SECBINFHSA-N -1 0 321.293 -0.687 20 0 DBADRM CN(CCNC(=O)c1cn(C2CCC2)nn1)Cc1n[nH]c(=O)[n-]1 ZINC001371968983 987580323 /nfs/dbraw/zinc/58/03/23/987580323.db2.gz KXJPRJQVKCCVPE-UHFFFAOYSA-N -1 0 320.357 -0.311 20 0 DBADRM CCCn1nccc1C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001371980023 987587196 /nfs/dbraw/zinc/58/71/96/987587196.db2.gz PFCQKCHGLGSRHC-UHFFFAOYSA-N -1 0 307.358 -0.021 20 0 DBADRM CN(CCNC(=O)[C@H]1CCc2nccn2C1)Cc1n[nH]c(=O)[n-]1 ZINC001372032800 987621235 /nfs/dbraw/zinc/62/12/35/987621235.db2.gz VVNUNXRSRWISSP-JTQLQIEISA-N -1 0 319.369 -0.483 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001372058792 987632097 /nfs/dbraw/zinc/63/20/97/987632097.db2.gz HYNQUNCHAZZBFY-UHFFFAOYSA-N -1 0 321.385 -0.349 20 0 DBADRM CCN(CCNC(=O)CCc1nnc[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001372308423 987724061 /nfs/dbraw/zinc/72/40/61/987724061.db2.gz QBGAPPFAECJCBX-UHFFFAOYSA-N -1 0 308.346 -0.801 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1cnoc1C ZINC001372360528 987739823 /nfs/dbraw/zinc/73/98/23/987739823.db2.gz OLUVTKACPMRDIJ-UHFFFAOYSA-N -1 0 322.325 -0.169 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001372398837 987752852 /nfs/dbraw/zinc/75/28/52/987752852.db2.gz FIWORDYGBCJNQO-CBAPKCEASA-N -1 0 323.353 -0.047 20 0 DBADRM CC(=O)N[C@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC001372409468 987755128 /nfs/dbraw/zinc/75/51/28/987755128.db2.gz DDEPNKLSPQYMTN-LLVKDONJSA-N -1 0 318.337 -0.898 20 0 DBADRM O=C(CCc1c[nH]cn1)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001372521796 987791372 /nfs/dbraw/zinc/79/13/72/987791372.db2.gz KSGNSBCWKSNIMN-NSHDSACASA-N -1 0 319.369 -0.053 20 0 DBADRM CCCC(=O)N[C@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001372526675 987794278 /nfs/dbraw/zinc/79/42/78/987794278.db2.gz IDQLFNPQNPVHHS-KYZUINATSA-N -1 0 308.338 -0.337 20 0 DBADRM CC(C)C(=O)N[C@H]1C[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001372535248 987798121 /nfs/dbraw/zinc/79/81/21/987798121.db2.gz FJJNBEJSRRCPPA-KYZUINATSA-N -1 0 323.353 -0.365 20 0 DBADRM CCCN(CCNC(=O)c1ccncn1)Cc1n[nH]c(=O)[n-]1 ZINC001372733005 987860052 /nfs/dbraw/zinc/86/00/52/987860052.db2.gz CUXIJPULCLXXJG-UHFFFAOYSA-N -1 0 305.342 -0.058 20 0 DBADRM C[C@H](CNC(=O)C[C@H](C)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001372925953 987970375 /nfs/dbraw/zinc/97/03/75/987970375.db2.gz NXPSEPUJFFWFCC-JGVFFNPUSA-N -1 0 323.353 -0.047 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC1(CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001535211354 1015352827 /nfs/dbraw/zinc/35/28/27/1015352827.db2.gz SINVFUQSEWQNCB-QMMMGPOBSA-N -1 0 323.353 -0.673 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@@H]2COCCO2)c1[O-] ZINC001373402378 988313443 /nfs/dbraw/zinc/31/34/43/988313443.db2.gz VLKNGMGLNOINPA-VIFPVBQESA-N -1 0 312.326 -0.973 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)Cc2cnc[nH]2)c1[O-] ZINC001373402566 988316109 /nfs/dbraw/zinc/31/61/09/988316109.db2.gz WRHPGLKEMSKRDU-UHFFFAOYSA-N -1 0 306.326 -0.422 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CC(=O)N(C)CC3CC3)C2)c1[O-] ZINC001373421468 988335634 /nfs/dbraw/zinc/33/56/34/988335634.db2.gz YUWYIXAHPJZFHV-UHFFFAOYSA-N -1 0 321.381 -0.294 20 0 DBADRM CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-] ZINC001373566406 988452385 /nfs/dbraw/zinc/45/23/85/988452385.db2.gz UJHZMSFAFBYSHC-UWVGGRQHSA-N -1 0 307.354 -0.541 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@H]1CC1(F)F ZINC001373587078 988471570 /nfs/dbraw/zinc/47/15/70/988471570.db2.gz QBRIMLMNUZXHLQ-RXMQYKEDSA-N -1 0 317.252 -0.874 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001373600313 988480752 /nfs/dbraw/zinc/48/07/52/988480752.db2.gz SURSZYBXMRUPSC-VHSXEESVSA-N -1 0 323.353 -0.690 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373646004 988520927 /nfs/dbraw/zinc/52/09/27/988520927.db2.gz CEWYYECOAHYDHJ-SECBINFHSA-N -1 0 310.358 -0.885 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(c2ccc(C(=O)[O-])nn2)C1 ZINC001596495636 1017154546 /nfs/dbraw/zinc/15/45/46/1017154546.db2.gz CSYPVKJUGOLNIU-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN([C@H](CCC(=O)[O-])C(=O)OC)C1 ZINC001596495857 1017154636 /nfs/dbraw/zinc/15/46/36/1017154636.db2.gz LQIPPQDUAYYNMQ-VHSXEESVSA-N -1 0 322.383 -0.594 20 0 DBADRM CC[C@H](C)C(=O)N(CC)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001373898752 988669286 /nfs/dbraw/zinc/66/92/86/988669286.db2.gz CWSZXRLZXFIGRV-VIFPVBQESA-N -1 0 313.358 -0.300 20 0 DBADRM CC(C)C(=O)N1CCC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001374042355 988748920 /nfs/dbraw/zinc/74/89/20/988748920.db2.gz LQVGWVAWAZNUBG-VIFPVBQESA-N -1 0 311.342 -0.548 20 0 DBADRM CCCC(=O)N1CCC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001374044218 988753743 /nfs/dbraw/zinc/75/37/43/988753743.db2.gz PYYRXTJXOABHJB-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM Cc1ncn(C)c1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001374093154 988777535 /nfs/dbraw/zinc/77/75/35/988777535.db2.gz LLIAOFPUWWCRKK-UHFFFAOYSA-N -1 0 305.342 -0.490 20 0 DBADRM CN(CCN(C)C(=O)CN1CCCC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001374462467 988881574 /nfs/dbraw/zinc/88/15/74/988881574.db2.gz JWKUOCHLFIMDDY-UHFFFAOYSA-N -1 0 310.358 -0.977 20 0 DBADRM CN(CCN(C)C(=O)CN1CCCCC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001374513523 988892903 /nfs/dbraw/zinc/89/29/03/988892903.db2.gz TXLMYBIAYQLKOJ-UHFFFAOYSA-N -1 0 324.385 -0.587 20 0 DBADRM C[C@@H](C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1)[C@@H]1CCC(=O)N1 ZINC001374533314 988899004 /nfs/dbraw/zinc/89/90/04/988899004.db2.gz GEKXLANPYJGHSO-ZJUUUORDSA-N -1 0 324.385 -0.685 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001374534639 988906512 /nfs/dbraw/zinc/90/65/12/988906512.db2.gz NZMNLFHDIWTMEJ-JTQLQIEISA-N -1 0 312.374 -0.685 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001597722550 988999737 /nfs/dbraw/zinc/99/97/37/988999737.db2.gz BDIFMZONEDBFSS-QWRGUYRKSA-N -1 0 324.337 -0.643 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N[C@@](C)(COC)C(=O)[O-])C(C)=O ZINC001596526234 1017155108 /nfs/dbraw/zinc/15/51/08/1017155108.db2.gz LQDVLSHZMJQJSU-RNCFNFMXSA-N -1 0 303.311 -0.249 20 0 DBADRM CCOC(=O)[C@H](CC)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001596526318 1017155225 /nfs/dbraw/zinc/15/52/25/1017155225.db2.gz RWGJOJREZPSBRU-OPRDCNLKSA-N -1 0 315.322 -0.092 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1CC(=O)[O-] ZINC001599863844 989211575 /nfs/dbraw/zinc/21/15/75/989211575.db2.gz BJMVJFWORKBTKJ-RKDXNWHRSA-N -1 0 309.322 -0.733 20 0 DBADRM COc1cc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)on1 ZINC001375025267 989369918 /nfs/dbraw/zinc/36/99/18/989369918.db2.gz AJLJHIGXQJNEFN-SSDOTTSWSA-N -1 0 310.314 -0.243 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1nnc[nH]1 ZINC001375028495 989372029 /nfs/dbraw/zinc/37/20/29/989372029.db2.gz ZSTIDVNZDSLBGZ-MRVPVSSYSA-N -1 0 308.346 -0.802 20 0 DBADRM CCN(C)C(=O)CN(C)C[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001375027935 989373695 /nfs/dbraw/zinc/37/36/95/989373695.db2.gz ZMKNGCDSSGXVPK-VIFPVBQESA-N -1 0 311.386 -0.048 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1cn[nH]c1 ZINC001375116218 989435037 /nfs/dbraw/zinc/43/50/37/989435037.db2.gz FJPGCHQUWNISGN-SECBINFHSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1cn[nH]c1 ZINC001375116221 989435852 /nfs/dbraw/zinc/43/58/52/989435852.db2.gz FJPGCHQUWNISGN-VIFPVBQESA-N -1 0 307.358 -0.197 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC12CC2 ZINC001375167572 989465113 /nfs/dbraw/zinc/46/51/13/989465113.db2.gz IJTWLSMRIUBYRR-JGVFFNPUSA-N -1 0 321.337 -0.293 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC12CC2 ZINC001375167584 989466858 /nfs/dbraw/zinc/46/68/58/989466858.db2.gz IJTWLSMRIUBYRR-YUMQZZPRSA-N -1 0 321.337 -0.293 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(OC)c(N2CCNC2=O)c1 ZINC001536984815 1015482454 /nfs/dbraw/zinc/48/24/54/1015482454.db2.gz OAWCLIXVAVMOET-UHFFFAOYSA-N -1 0 322.321 -0.368 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)Cn2cccn2)c1[O-] ZINC001375599647 989680455 /nfs/dbraw/zinc/68/04/55/989680455.db2.gz OOEJORDMGVROLV-SECBINFHSA-N -1 0 320.353 -0.197 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)Cn2cccn2)c1[O-] ZINC001375599648 989683693 /nfs/dbraw/zinc/68/36/93/989683693.db2.gz OOEJORDMGVROLV-VIFPVBQESA-N -1 0 320.353 -0.197 20 0 DBADRM CCNC(=O)CCC(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375824746 989813578 /nfs/dbraw/zinc/81/35/78/989813578.db2.gz YPEZYHTWIHMLLI-AWEZNQCLSA-N -1 0 324.385 -0.493 20 0 DBADRM CC(C)[C@H](CNC(=O)CC1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001375936553 989826538 /nfs/dbraw/zinc/82/65/38/989826538.db2.gz UFMPLSQIBWUROJ-VIFPVBQESA-N -1 0 323.353 -0.047 20 0 DBADRM CCC(=O)N(C)CCN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001376122678 989892017 /nfs/dbraw/zinc/89/20/17/989892017.db2.gz PKWVRZRDEZIOSD-UHFFFAOYSA-N -1 0 311.342 -0.458 20 0 DBADRM CN(CCN(C)C(=O)c1ccco1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001376139370 989904663 /nfs/dbraw/zinc/90/46/63/989904663.db2.gz BFIOPALXPDCSAK-UHFFFAOYSA-N -1 0 323.309 -0.487 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C[C@@H]3CCCCO3)C2)c1[O-] ZINC001376167772 989929650 /nfs/dbraw/zinc/92/96/50/989929650.db2.gz NUNMAFRKJHFBIX-NSHDSACASA-N -1 0 324.381 -0.231 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001376192627 989940615 /nfs/dbraw/zinc/94/06/15/989940615.db2.gz FCUQGSWESVXZKY-HBNTYKKESA-N -1 0 321.381 -0.391 20 0 DBADRM CC(C)(C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C(F)F ZINC001376237686 989974822 /nfs/dbraw/zinc/97/48/22/989974822.db2.gz HDJYCOOSVYNDBH-UHFFFAOYSA-N -1 0 319.312 -0.536 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2CCCNC2=O)s1 ZINC001542221737 1015530366 /nfs/dbraw/zinc/53/03/66/1015530366.db2.gz LWEVGVLGHTXSDN-YFKPBYRVSA-N -1 0 319.368 -0.626 20 0 DBADRM O=C(NCCn1cncn1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001542922663 1015533996 /nfs/dbraw/zinc/53/39/96/1015533996.db2.gz RLFLICUDGWICPG-UHFFFAOYSA-N -1 0 315.293 -0.712 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1N=NC(=S)N1C1CC1 ZINC001542892914 1015534032 /nfs/dbraw/zinc/53/40/32/1015534032.db2.gz AEATWFAFOOOTCR-UHFFFAOYSA-N -1 0 311.327 -0.779 20 0 DBADRM CC(C)C[C@@]1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CCNC1=O ZINC001542946188 1015534601 /nfs/dbraw/zinc/53/46/01/1015534601.db2.gz KZJGVCCXBAMHEP-YGRLFVJLSA-N -1 0 322.369 -0.348 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)c1c[n-]n2c1nccc2=O ZINC001543054965 1015536697 /nfs/dbraw/zinc/53/66/97/1015536697.db2.gz DFIXLPBGDCRROW-UHFFFAOYSA-N -1 0 305.323 -0.630 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cnn(Cc2ccncc2)c1 ZINC001545044342 1015549534 /nfs/dbraw/zinc/54/95/34/1015549534.db2.gz PNZIJYNOTSTTRH-UHFFFAOYSA-N -1 0 315.293 -0.032 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)Cn2ccnc2)c1[O-] ZINC001491670002 1015560654 /nfs/dbraw/zinc/56/06/54/1015560654.db2.gz VYEKZPIQSNVEEB-UHFFFAOYSA-N -1 0 306.326 -0.443 20 0 DBADRM CCN1CC2(C1)C[C@@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)CO2 ZINC001377088123 990439806 /nfs/dbraw/zinc/43/98/06/990439806.db2.gz OICIGPMZGQOPNK-SECBINFHSA-N -1 0 323.353 -0.805 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001377086861 990440081 /nfs/dbraw/zinc/44/00/81/990440081.db2.gz LKBNKJMQJULLGV-RKDXNWHRSA-N -1 0 313.333 -0.282 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)[C@@H](C)c2nnnn2C)c1[O-] ZINC001377143380 990456443 /nfs/dbraw/zinc/45/64/43/990456443.db2.gz MUFRUNYKCUGVKZ-QMMMGPOBSA-N -1 0 308.346 -0.630 20 0 DBADRM CN(CCNC(=O)COC[C@H]1CCCO1)Cc1n[nH]c(=O)[n-]1 ZINC001377273917 990513571 /nfs/dbraw/zinc/51/35/71/990513571.db2.gz JPIFVMOUFKZAJI-SNVBAGLBSA-N -1 0 313.358 -0.746 20 0 DBADRM O=C(C[C@@H]1CCNC1=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001377398982 990570828 /nfs/dbraw/zinc/57/08/28/990570828.db2.gz NUOKZHPHWKDURW-UWVGGRQHSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)CCn2ccnc2)c1[O-] ZINC001377540741 990645722 /nfs/dbraw/zinc/64/57/22/990645722.db2.gz ZIVMYFVRQLYJSS-VIFPVBQESA-N -1 0 320.353 -0.055 20 0 DBADRM O=C(NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccc[nH]1 ZINC001377549906 990650326 /nfs/dbraw/zinc/65/03/26/990650326.db2.gz NDRRZGVLSFGPMG-UHFFFAOYSA-N -1 0 320.353 -0.405 20 0 DBADRM O=C(CNC(=O)C1CC1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001377840452 990753092 /nfs/dbraw/zinc/75/30/92/990753092.db2.gz XWKXBXPSNURBEB-JTQLQIEISA-N -1 0 322.369 -0.883 20 0 DBADRM CCN(CC)C(=O)CN1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001377877584 990768684 /nfs/dbraw/zinc/76/86/84/990768684.db2.gz AVBFOXXSOCUBHA-UHFFFAOYSA-N -1 0 309.370 -0.294 20 0 DBADRM Cc1c(CCC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001377879467 990770471 /nfs/dbraw/zinc/77/04/71/990770471.db2.gz DWQBOLJQRHRVJQ-UHFFFAOYSA-N -1 0 319.369 -0.515 20 0 DBADRM COc1cc(CCC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001377884980 990775284 /nfs/dbraw/zinc/77/52/84/990775284.db2.gz YPLXNMNQOZEGFL-UHFFFAOYSA-N -1 0 322.325 -0.560 20 0 DBADRM C[C@@](O)(CC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001377966297 990812182 /nfs/dbraw/zinc/81/21/82/990812182.db2.gz NWJPJIUIHUVQFU-CQSZACIVSA-N -1 0 309.370 -0.391 20 0 DBADRM C[C@H](CNC(=O)CCn1cccn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001378006201 990825719 /nfs/dbraw/zinc/82/57/19/990825719.db2.gz MXCTXHITOJKTFB-SNVBAGLBSA-N -1 0 307.358 -0.266 20 0 DBADRM C[C@H](CNC(=O)CCc1ccncn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001378053451 990840603 /nfs/dbraw/zinc/84/06/03/990840603.db2.gz XFOIYKGKZGYHKX-SNVBAGLBSA-N -1 0 319.369 -0.130 20 0 DBADRM CC(C)[C@H](C)C(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001378057094 990841236 /nfs/dbraw/zinc/84/12/36/990841236.db2.gz FLBIOMUJCMJZGA-IUCAKERBSA-N -1 0 313.358 -0.398 20 0 DBADRM CC(C)[C@@H](C)C(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001378057086 990841732 /nfs/dbraw/zinc/84/17/32/990841732.db2.gz FLBIOMUJCMJZGA-DTWKUNHWSA-N -1 0 313.358 -0.398 20 0 DBADRM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378074898 990848210 /nfs/dbraw/zinc/84/82/10/990848210.db2.gz SUMSFGKPTPXXOV-UWVGGRQHSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378074902 990848245 /nfs/dbraw/zinc/84/82/45/990848245.db2.gz SUMSFGKPTPXXOV-ZJUUUORDSA-N -1 0 319.369 -0.197 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378151352 990869483 /nfs/dbraw/zinc/86/94/83/990869483.db2.gz PTJNZZKFYWNZBE-ZJUUUORDSA-N -1 0 324.385 -0.542 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378151336 990869561 /nfs/dbraw/zinc/86/95/61/990869561.db2.gz PTJNZZKFYWNZBE-UWVGGRQHSA-N -1 0 324.385 -0.542 20 0 DBADRM COc1cncc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001378160981 990871889 /nfs/dbraw/zinc/87/18/89/990871889.db2.gz YIJIADOIRBOVBQ-QMMMGPOBSA-N -1 0 321.341 -0.441 20 0 DBADRM CCN(C(=O)CCCC(N)=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378198621 990880350 /nfs/dbraw/zinc/88/03/50/990880350.db2.gz JWRYYXSXOPQVMS-SNVBAGLBSA-N -1 0 324.385 -0.411 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccns1 ZINC001378301615 990920564 /nfs/dbraw/zinc/92/05/64/990920564.db2.gz BQHYJQKNMYLKAX-UHFFFAOYSA-N -1 0 324.366 -0.666 20 0 DBADRM CC1(C(=O)NC[C@H]2CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001378372289 990951808 /nfs/dbraw/zinc/95/18/08/990951808.db2.gz MDDFHTZKAYJTFP-SSDOTTSWSA-N -1 0 307.310 -0.586 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1C(=O)CC1CCC1 ZINC001378467132 990980620 /nfs/dbraw/zinc/98/06/20/990980620.db2.gz BUNRXYHKTFMRIX-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM CCCC(=O)NCC1(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001378595666 991055878 /nfs/dbraw/zinc/05/58/78/991055878.db2.gz JMDYYSHUMJXSSS-UHFFFAOYSA-N -1 0 308.338 -0.335 20 0 DBADRM CCCC(=O)N1CC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001491784943 1015619686 /nfs/dbraw/zinc/61/96/86/1015619686.db2.gz BNQSIOUFTPHCRO-SECBINFHSA-N -1 0 323.353 -0.267 20 0 DBADRM Cc1ncc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)n1C ZINC001379089999 991325080 /nfs/dbraw/zinc/32/50/80/991325080.db2.gz ZTBUDGMKTXXNKW-UHFFFAOYSA-N -1 0 307.358 -0.244 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C12CCC(CC1)C2 ZINC001379439510 991670642 /nfs/dbraw/zinc/67/06/42/991670642.db2.gz UZIIWMCSCFWQQB-OPASDULOSA-N -1 0 309.370 -0.343 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001379444209 991676987 /nfs/dbraw/zinc/67/69/87/991676987.db2.gz YIOHMQMDHBGSQW-FIQHERPVSA-N -1 0 323.397 -0.097 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN[C@H](C)c2nnnn2C)c1[O-] ZINC001379496194 991728581 /nfs/dbraw/zinc/72/85/81/991728581.db2.gz SFTMTDDNDQCQKE-POYBYMJQSA-N -1 0 308.346 -0.584 20 0 DBADRM Cc1nc(CNC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)oc1C ZINC001379586843 991808853 /nfs/dbraw/zinc/80/88/53/991808853.db2.gz JTPSKIAPJVSKCK-ZETCQYMHSA-N -1 0 324.341 -0.411 20 0 DBADRM CC(C)C(=O)N[C@@]1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001379610236 991818266 /nfs/dbraw/zinc/81/82/66/991818266.db2.gz SWRHKBCFHJJOJG-ZDUSSCGKSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1cncnc1 ZINC001379717585 991862323 /nfs/dbraw/zinc/86/23/23/991862323.db2.gz WMLGPEAQQZBPAS-SNVBAGLBSA-N -1 0 319.369 -0.130 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001379731114 991868842 /nfs/dbraw/zinc/86/88/42/991868842.db2.gz BSPAMGFZARIVBS-PSASIEDQSA-N -1 0 312.374 -0.639 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001491906062 1015666719 /nfs/dbraw/zinc/66/67/19/1015666719.db2.gz CUSBXYBIXZUMNG-MWLCHTKSSA-N -1 0 324.385 -0.542 20 0 DBADRM C[C@@H](CN(C)CC(N)=O)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001379759175 991886574 /nfs/dbraw/zinc/88/65/74/991886574.db2.gz AWTFDQJSXQRGPQ-ZETCQYMHSA-N -1 0 307.310 -0.536 20 0 DBADRM CCOC(=O)CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001596587028 1017160003 /nfs/dbraw/zinc/16/00/03/1017160003.db2.gz OQILUTSOFYYHDI-QMMMGPOBSA-N -1 0 307.324 -0.960 20 0 DBADRM CCOC(=O)[C@H]1CN([C@@H](CCC(=O)OC)C(=O)[O-])CCO1 ZINC001596585063 1017159723 /nfs/dbraw/zinc/15/97/23/1017159723.db2.gz FEJBFPNLDUOHSH-VHSXEESVSA-N -1 0 303.311 -0.343 20 0 DBADRM COCCN(CCNC(=O)c1ncc[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001380114601 992153246 /nfs/dbraw/zinc/15/32/46/992153246.db2.gz IUQHVTIGBNBHDD-UHFFFAOYSA-N -1 0 309.330 -0.888 20 0 DBADRM CC(C)=CC(=O)N(C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001491993387 1015688536 /nfs/dbraw/zinc/68/85/36/1015688536.db2.gz JMZMEOFSBRJCKX-VIFPVBQESA-N -1 0 321.337 -0.078 20 0 DBADRM O=C(CCc1cn[nH]c1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001380147791 992175265 /nfs/dbraw/zinc/17/52/65/992175265.db2.gz IVRRPESGFGWKFU-UHFFFAOYSA-N -1 0 305.342 -0.395 20 0 DBADRM CC(C)=CC(=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001491993386 1015689139 /nfs/dbraw/zinc/68/91/39/1015689139.db2.gz JMZMEOFSBRJCKX-SECBINFHSA-N -1 0 321.337 -0.078 20 0 DBADRM CCn1cc(O[C@@H]2COC[C@H]2NC(=O)c2n[nH]c(=O)[n-]2)cn1 ZINC001548990156 1015690876 /nfs/dbraw/zinc/69/08/76/1015690876.db2.gz ZDFLXZCCPAPMOA-RKDXNWHRSA-N -1 0 308.298 -0.697 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380245782 992211155 /nfs/dbraw/zinc/21/11/55/992211155.db2.gz WPPSKGMNQDRVCA-UHFFFAOYSA-N -1 0 310.358 -0.932 20 0 DBADRM NC(=O)[C@@H]1CCO[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001549039900 1015693259 /nfs/dbraw/zinc/69/32/59/1015693259.db2.gz DBKXFUIOANLPPL-WISYIIOYSA-N -1 0 310.350 -0.164 20 0 DBADRM CC1(C(=O)NC2CC(CNC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001380303767 992243097 /nfs/dbraw/zinc/24/30/97/992243097.db2.gz HRCZMHKFIYBRHX-UHFFFAOYSA-N -1 0 323.353 -0.500 20 0 DBADRM CCOC(=O)[C@@H]1CN([C@@H](C)C(=O)NCC(=O)[O-])CC12COC2 ZINC001596586002 1017161078 /nfs/dbraw/zinc/16/10/78/1017161078.db2.gz WHDJZUIQYYCPKV-UWVGGRQHSA-N -1 0 314.338 -0.913 20 0 DBADRM Cn1nccc1[C@H]1[C@@H](NC(=O)C2(C(=O)[O-])CC2)CC(=O)N1C ZINC001549076363 1015702258 /nfs/dbraw/zinc/70/22/58/1015702258.db2.gz HPRSPLWYRNKYQY-GZMMTYOYSA-N -1 0 306.322 -0.327 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCO[C@@H]1c1ccnn1C ZINC001549135949 1015706077 /nfs/dbraw/zinc/70/60/77/1015706077.db2.gz KOUYDUOZQARCGD-SKDRFNHKSA-N -1 0 311.342 -0.383 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001380577325 992410780 /nfs/dbraw/zinc/41/07/80/992410780.db2.gz HZIZLMSENYWPAO-IAZYJMLFSA-N -1 0 321.381 -0.391 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCO[C@H]1c1ccnn1C ZINC001549135947 1015706556 /nfs/dbraw/zinc/70/65/56/1015706556.db2.gz KOUYDUOZQARCGD-JOYOIKCWSA-N -1 0 311.342 -0.383 20 0 DBADRM COCCOCC(=O)N1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC001492076335 1015709180 /nfs/dbraw/zinc/70/91/80/1015709180.db2.gz NUMCATOEEJTYOQ-UHFFFAOYSA-N -1 0 311.342 -0.812 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)Cn2nccn2)c1[O-] ZINC001380687219 992477688 /nfs/dbraw/zinc/47/76/88/992477688.db2.gz OVNOJCGNYNHNGM-MRVPVSSYSA-N -1 0 321.341 -0.708 20 0 DBADRM COC[C@@H](C)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001380698684 992481008 /nfs/dbraw/zinc/48/10/08/992481008.db2.gz CHJXENKXUOQGAN-MXWKQRLJSA-N -1 0 309.370 -0.317 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549181591 1015710898 /nfs/dbraw/zinc/71/08/98/1015710898.db2.gz ZZCWJNRDCKBLOG-FOGDFJRCSA-N -1 0 304.368 -0.252 20 0 DBADRM COCCn1ccc(C(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC001549219683 1015712051 /nfs/dbraw/zinc/71/20/51/1015712051.db2.gz CJQPKSSLZAWOJK-IINYFYTJSA-N -1 0 309.322 -0.297 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 ZINC001549230259 1015712271 /nfs/dbraw/zinc/71/22/71/1015712271.db2.gz OYVQNQJABHOPSW-XHDPSFHLSA-N -1 0 319.317 -0.629 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 ZINC001549230258 1015712824 /nfs/dbraw/zinc/71/28/24/1015712824.db2.gz OYVQNQJABHOPSW-NHYWBVRUSA-N -1 0 319.317 -0.629 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001549229047 1015713172 /nfs/dbraw/zinc/71/31/72/1015713172.db2.gz JEFQIVAAIOPZSU-ZOWXZIJZSA-N -1 0 310.350 -0.196 20 0 DBADRM Cc1nc(C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)c(=O)[nH]c1C ZINC001549223941 1015713206 /nfs/dbraw/zinc/71/32/06/1015713206.db2.gz QMPJRQZMZBKZKW-OTYXRUKQSA-N -1 0 307.306 -0.440 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)CNC(=O)c1ccccc1)C2 ZINC001549219408 1015713319 /nfs/dbraw/zinc/71/33/19/1015713319.db2.gz IFDXXBLIJZAJRG-WBMJQRKESA-N -1 0 318.329 -0.024 20 0 DBADRM C[C@H](O)CNc1cc(N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)ncn1 ZINC001549296975 1015718395 /nfs/dbraw/zinc/71/83/95/1015718395.db2.gz COQUUIKKKTTZAV-RBZYPMLTSA-N -1 0 308.338 -0.193 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001596595141 1017162624 /nfs/dbraw/zinc/16/26/24/1017162624.db2.gz QOKXIVDQOSLJGW-WDEREUQCSA-N -1 0 310.306 -0.492 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001596616086 1017162628 /nfs/dbraw/zinc/16/26/28/1017162628.db2.gz NYSXJPWVLFKYFR-CYBMUJFWSA-N -1 0 316.354 -0.835 20 0 DBADRM CC(=O)N[C@]1(c2nc(C)no2)CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001549305292 1015720272 /nfs/dbraw/zinc/72/02/72/1015720272.db2.gz RTQVSOIBKNWKEE-ISTVAULSSA-N -1 0 322.321 -0.338 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)c1ccn3nnnc3c1)C2 ZINC001549305475 1015720571 /nfs/dbraw/zinc/72/05/71/1015720571.db2.gz JHMJDCKMSSBPCQ-RNCFNFMXSA-N -1 0 303.278 -0.703 20 0 DBADRM CC(=O)N[C@]1(c2nc(C)no2)CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001549305293 1015720987 /nfs/dbraw/zinc/72/09/87/1015720987.db2.gz RTQVSOIBKNWKEE-PKFCDNJMSA-N -1 0 322.321 -0.338 20 0 DBADRM Cc1ccnc2nc(C(=O)N3C[C@H]4COC[C@]4(C(=O)[O-])C3)nn21 ZINC001549306826 1015722282 /nfs/dbraw/zinc/72/22/82/1015722282.db2.gz VRMNQTHKRPTUOD-LKFCYVNXSA-N -1 0 317.305 -0.394 20 0 DBADRM CC(=O)N[C@@H](CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C(C)C ZINC001381035811 992637172 /nfs/dbraw/zinc/63/71/72/992637172.db2.gz WCIHLTNPBDQXJH-VIFPVBQESA-N -1 0 311.342 -0.094 20 0 DBADRM CC(C)C(=O)N[C@H](C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001381149840 992686260 /nfs/dbraw/zinc/68/62/60/992686260.db2.gz QYTPBHJYZDPAOL-SECBINFHSA-N -1 0 322.365 -0.281 20 0 DBADRM CCOC(=O)CN(C)C(=O)COC(=O)c1ccncc1C(=O)[O-] ZINC001596616171 1017162764 /nfs/dbraw/zinc/16/27/64/1017162764.db2.gz RPJVYNTZBIBUMR-UHFFFAOYSA-N -1 0 324.289 -0.042 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H]1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001381454964 992807181 /nfs/dbraw/zinc/80/71/81/992807181.db2.gz AZJRALFTVJVICC-IWSPIJDZSA-N -1 0 323.353 -0.047 20 0 DBADRM CC(=O)N1CCC(N(C)C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001381556763 992837639 /nfs/dbraw/zinc/83/76/39/992837639.db2.gz PDVOBFKTEGIFEF-UHFFFAOYSA-N -1 0 323.353 -0.315 20 0 DBADRM CC[C@H](C)CC(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381657728 992860230 /nfs/dbraw/zinc/86/02/30/992860230.db2.gz WSAYDJORMGSWJM-JTQLQIEISA-N -1 0 311.386 -0.001 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC2(CC2)C1 ZINC001381688496 992868042 /nfs/dbraw/zinc/86/80/42/992868042.db2.gz RTCRLSHRVZCANC-UHFFFAOYSA-N -1 0 321.381 -0.247 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)n1cncn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381791302 992883146 /nfs/dbraw/zinc/88/31/46/992883146.db2.gz LQTKBSBNDKFKHY-RKDXNWHRSA-N -1 0 320.357 -0.701 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)CC(=O)Nc2ccon2)c1[O-] ZINC001492228709 1015743280 /nfs/dbraw/zinc/74/32/80/1015743280.db2.gz PZVKWVSVEFSPCK-UHFFFAOYSA-N -1 0 322.325 -0.288 20 0 DBADRM CCCCC(=O)N(C)C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001381850122 992898816 /nfs/dbraw/zinc/89/88/16/992898816.db2.gz OUDNHVPXPPVSKR-SECBINFHSA-N -1 0 313.358 -0.157 20 0 DBADRM CC[C@@H](C)C(=O)N(C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001381859261 992900331 /nfs/dbraw/zinc/90/03/31/992900331.db2.gz LMPPWGCPQHMSTK-SFYZADRCSA-N -1 0 311.342 -0.094 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCOC1)Cc1cc(=O)n2[n-]ccc2n1 ZINC001492213784 1015739844 /nfs/dbraw/zinc/73/98/44/1015739844.db2.gz WTAGHYLSHNAHHH-LLVKDONJSA-N -1 0 319.365 -0.393 20 0 DBADRM CC[C@H](SC)C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001382194476 993040769 /nfs/dbraw/zinc/04/07/69/993040769.db2.gz BZAYQSQXNSBKTO-SFYZADRCSA-N -1 0 303.388 -0.781 20 0 DBADRM Cc1cc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)c(C)nn1 ZINC001492262167 1015755776 /nfs/dbraw/zinc/75/57/76/1015755776.db2.gz MFOATPLDWHEHCR-UHFFFAOYSA-N -1 0 305.342 -0.221 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCC12CC2 ZINC001382217969 993064213 /nfs/dbraw/zinc/06/42/13/993064213.db2.gz SUGGMKJMXZLGNO-ZJUUUORDSA-N -1 0 309.370 -0.343 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)NC[C@H](Cc1ccncc1)C(=O)[O-] ZINC001596595567 1017163067 /nfs/dbraw/zinc/16/30/67/1017163067.db2.gz UPYOIOHKMRZYIA-RYUDHWBXSA-N -1 0 324.333 -0.245 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)C2CCCC2)c1[O-] ZINC001382273444 993113261 /nfs/dbraw/zinc/11/32/61/993113261.db2.gz OKXUTQNIXFQBFN-JTQLQIEISA-N -1 0 310.354 -0.179 20 0 DBADRM CS[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001382384462 993192571 /nfs/dbraw/zinc/19/25/71/993192571.db2.gz AGJMHKCWFGDQCP-YUMQZZPRSA-N -1 0 316.383 -0.618 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC23CCC3)c1[O-] ZINC001382391364 993199712 /nfs/dbraw/zinc/19/97/12/993199712.db2.gz KOMXRTATZLRUJO-ZJUUUORDSA-N -1 0 322.365 -0.179 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)CCC2CC2)c1[O-] ZINC001382393842 993204247 /nfs/dbraw/zinc/20/42/47/993204247.db2.gz NFWFLEGYKPNJLY-SNVBAGLBSA-N -1 0 310.354 -0.179 20 0 DBADRM CCN(C)S(=O)(=O)N1C[C@H](c2cncn2C)[C@H](C(=O)[O-])C1 ZINC001549895446 1015773733 /nfs/dbraw/zinc/77/37/33/1015773733.db2.gz WFHIVNXFLOFGEQ-VHSXEESVSA-N -1 0 316.383 -0.283 20 0 DBADRM CCOC(=O)N1CCN(C(=O)CN(CC)CC(=O)[O-])CC1 ZINC001596651721 1017164550 /nfs/dbraw/zinc/16/45/50/1017164550.db2.gz KBAAGOYIMOQDOR-UHFFFAOYSA-N -1 0 301.343 -0.306 20 0 DBADRM CC(=O)N[C@H](C)[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001382697548 993402180 /nfs/dbraw/zinc/40/21/80/993402180.db2.gz ACIBACNPVZYDPT-SFYZADRCSA-N -1 0 306.326 -0.900 20 0 DBADRM CCC(=O)N1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001382709388 993404943 /nfs/dbraw/zinc/40/49/43/993404943.db2.gz WQJQSLMKQOGHAA-BDAKNGLRSA-N -1 0 323.353 -0.269 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)NC(=O)CC1CC1 ZINC001382714464 993405547 /nfs/dbraw/zinc/40/55/47/993405547.db2.gz VHBOZRLQFOSOCY-NKWVEPMBSA-N -1 0 309.326 -0.294 20 0 DBADRM C[C@H](CNC(=O)CC1CC1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001382872667 993432566 /nfs/dbraw/zinc/43/25/66/993432566.db2.gz CQLNRMURRGUQIB-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@@H](CNC(=O)CC1CC1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001382872675 993432855 /nfs/dbraw/zinc/43/28/55/993432855.db2.gz CQLNRMURRGUQIB-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)CC1CC1 ZINC001383057709 993515767 /nfs/dbraw/zinc/51/57/67/993515767.db2.gz UROBJYKZKIQJMP-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CCO)CN(C(=O)C3CC3)C2)c1[O-] ZINC001383146527 993562837 /nfs/dbraw/zinc/56/28/37/993562837.db2.gz RGNPXHBZYLFNHZ-UHFFFAOYSA-N -1 0 308.338 -0.473 20 0 DBADRM CCOC(=O)Cn1cnc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001596637577 1017165515 /nfs/dbraw/zinc/16/55/15/1017165515.db2.gz AMVWETHGMHZCBQ-OCAPTIKFSA-N -1 0 311.298 -0.174 20 0 DBADRM CC(C)C(=O)N[C@H]1C[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001383443105 993652465 /nfs/dbraw/zinc/65/24/65/993652465.db2.gz KZNQRALKBCLKGJ-KYZUINATSA-N -1 0 311.342 -0.644 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)c1cnc3nccn3c1)C2 ZINC001550345323 1015802664 /nfs/dbraw/zinc/80/26/64/1015802664.db2.gz JUUDZLGVUJFVND-IINYFYTJSA-N -1 0 302.290 -0.098 20 0 DBADRM CC(C)N1C(=O)CC[C@@H]1C(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001550346611 1015802782 /nfs/dbraw/zinc/80/27/82/1015802782.db2.gz RFELUQMSXGMXEP-HFAKWTLXSA-N -1 0 310.350 -0.055 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)c1ccnc3ccnn31)C2 ZINC001550345899 1015802829 /nfs/dbraw/zinc/80/28/29/1015802829.db2.gz NBDPOCSBMROYPO-OTYXRUKQSA-N -1 0 302.290 -0.098 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001383800345 993749737 /nfs/dbraw/zinc/74/97/37/993749737.db2.gz TXRFUGPLGYFTBK-AEJSXWLSSA-N -1 0 322.365 -0.281 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@]1(C)CCC(=O)NC1)NC(=O)c1cn[nH]n1 ZINC001383805958 993752148 /nfs/dbraw/zinc/75/21/48/993752148.db2.gz JGVVFVXJHCZREP-XPTSAGLGSA-N -1 0 322.369 -0.702 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001383877811 993800033 /nfs/dbraw/zinc/80/00/33/993800033.db2.gz LJQZHPRULVEWTB-APPZFPTMSA-N -1 0 314.342 -0.944 20 0 DBADRM CN(CCNC(=O)c1c[nH]nc1C1CC1)Cc1n[nH]c(=O)[n-]1 ZINC001492482409 1015811029 /nfs/dbraw/zinc/81/10/29/1015811029.db2.gz VXJQBUGFUJKXQH-UHFFFAOYSA-N -1 0 305.342 -0.027 20 0 DBADRM CCOC(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001596658802 1017165890 /nfs/dbraw/zinc/16/58/90/1017165890.db2.gz BOZNHKOGFOOKDQ-VIFPVBQESA-N -1 0 317.342 -0.536 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@@H]2C[C@H]2C2CC2)c1[O-] ZINC001383933130 993848850 /nfs/dbraw/zinc/84/88/50/993848850.db2.gz ZVHOKEGHHQPFML-GARJFASQSA-N -1 0 322.365 -0.323 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)NCCOCC(=O)[O-])n1C ZINC001596740140 1017166956 /nfs/dbraw/zinc/16/69/56/1017166956.db2.gz UIJOPKSPMBEITC-UHFFFAOYSA-N -1 0 314.298 -0.181 20 0 DBADRM CN1CC[C@@H](N2CCC(NC(=O)c3c[n-]ncc3=O)CC2)C1=O ZINC001550786869 1015813516 /nfs/dbraw/zinc/81/35/16/1015813516.db2.gz ZEWDWSFALAHXFA-GFCCVEGCSA-N -1 0 319.365 -0.393 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@H](F)C(C)C)c1[O-] ZINC001383985927 993883941 /nfs/dbraw/zinc/88/39/41/993883941.db2.gz HKMOPHZSMMDNFP-DTWKUNHWSA-N -1 0 316.333 -0.375 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@@H](F)C(C)C)c1[O-] ZINC001383985928 993884366 /nfs/dbraw/zinc/88/43/66/993884366.db2.gz HKMOPHZSMMDNFP-IUCAKERBSA-N -1 0 316.333 -0.375 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)Cn3nc4ccccn4c3=O)CC[C@@H]21 ZINC001550919995 1015815385 /nfs/dbraw/zinc/81/53/85/1015815385.db2.gz CZQSEGDJVHKUMG-OPQQBVKSSA-N -1 0 316.317 -0.325 20 0 DBADRM CN(CCNC(=O)COCc1cccnc1)Cc1n[nH]c(=O)[n-]1 ZINC001492830104 1015816033 /nfs/dbraw/zinc/81/60/33/1015816033.db2.gz AQQAZJODOUFPHJ-UHFFFAOYSA-N -1 0 320.353 -0.330 20 0 DBADRM Cn1nccc1[C@H]1[C@H](N=c2nn[n-]n2C)CCC(=O)N1C1CC1 ZINC001551185515 1015818845 /nfs/dbraw/zinc/81/88/45/1015818845.db2.gz XKXDYAQXBKIWGX-ZWNOBZJWSA-N -1 0 316.369 -0.328 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001384100294 993957639 /nfs/dbraw/zinc/95/76/39/993957639.db2.gz DKCSRUVTZMPAFN-DJLDLDEBSA-N -1 0 323.353 -0.094 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@H]1C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001492900158 1015823873 /nfs/dbraw/zinc/82/38/73/1015823873.db2.gz NAPJPIYRNTVZJI-BDAKNGLRSA-N -1 0 323.353 -0.093 20 0 DBADRM CNC(=O)[C@]12CN(C(=O)c3cc(=O)n(C)[n-]3)C[C@@H]1COCC2 ZINC001551440913 1015826052 /nfs/dbraw/zinc/82/60/52/1015826052.db2.gz HUEKKKZWLXNXLU-YMTOWFKASA-N -1 0 308.338 -0.650 20 0 DBADRM CCC(=O)N(C)C[C@@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001384313680 994089809 /nfs/dbraw/zinc/08/98/09/994089809.db2.gz IWGCPGWRAJOKLU-VIFPVBQESA-N -1 0 308.338 -0.431 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001400390808 994109798 /nfs/dbraw/zinc/10/97/98/994109798.db2.gz XLLWEGRQTGBCFS-SNVBAGLBSA-N -1 0 323.353 -0.767 20 0 DBADRM CC1(C)C[C@H]1C(=O)N1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001400459670 994159258 /nfs/dbraw/zinc/15/92/58/994159258.db2.gz AWTIUGBOVROXHU-BDAKNGLRSA-N -1 0 323.353 -0.548 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001400484140 994178328 /nfs/dbraw/zinc/17/83/28/994178328.db2.gz PNHOMYGPNNUVQI-RNFRBKRXSA-N -1 0 313.289 -0.638 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001400484147 994178668 /nfs/dbraw/zinc/17/86/68/994178668.db2.gz PNHOMYGPNNUVQI-RQJHMYQMSA-N -1 0 313.289 -0.638 20 0 DBADRM CCN(CCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001493018988 1015839596 /nfs/dbraw/zinc/83/95/96/1015839596.db2.gz HVIRLFIWODMOLY-ZJUUUORDSA-N -1 0 324.385 -0.637 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NC1(CNC(=O)C2CC2)CC1 ZINC001400498531 994191085 /nfs/dbraw/zinc/19/10/85/994191085.db2.gz XHSNHLHCWXPOMT-UHFFFAOYSA-N -1 0 321.337 -0.610 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)CN1CCCC[C@H](OC)C1=O ZINC001552137835 1015843122 /nfs/dbraw/zinc/84/31/22/1015843122.db2.gz OSGXUEZCHVRJFM-JTQLQIEISA-N -1 0 321.399 -0.673 20 0 DBADRM O=C(C[C@@H]1CCCOC1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400568406 994234707 /nfs/dbraw/zinc/23/47/07/994234707.db2.gz UXDCLKNUVQCPPB-JTQLQIEISA-N -1 0 309.370 -0.125 20 0 DBADRM C[C@@H](C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn(C)c1 ZINC001400574928 994238341 /nfs/dbraw/zinc/23/83/41/994238341.db2.gz OTTDULAAGYTYGY-SECBINFHSA-N -1 0 319.369 -0.405 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@@H](OC)C[C@@H]1c1ncc[nH]1 ZINC001552180953 1015845473 /nfs/dbraw/zinc/84/54/73/1015845473.db2.gz MKNZPYKBHMLXTN-VHSXEESVSA-N -1 0 311.342 -0.051 20 0 DBADRM O=C(NCC1(NC(=O)[C@H]2CC23CC3)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001400624443 994260036 /nfs/dbraw/zinc/26/00/36/994260036.db2.gz GPAWVGIZGYUTNV-SSDOTTSWSA-N -1 0 319.321 -0.539 20 0 DBADRM CCN(C(=O)Cn1cccn1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400728708 994321782 /nfs/dbraw/zinc/32/17/82/994321782.db2.gz AVDMSHOIKVDAAZ-LLVKDONJSA-N -1 0 319.369 -0.170 20 0 DBADRM Cc1cnn(CCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1 ZINC001552405349 1015857477 /nfs/dbraw/zinc/85/74/77/1015857477.db2.gz ZFIQQKNGKPBWCR-FZMZJTMJSA-N -1 0 308.338 -0.066 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)N[C@@H]1CCn3ccnc3C1)C2 ZINC001552403150 1015857574 /nfs/dbraw/zinc/85/75/74/1015857574.db2.gz MBUUYQOYACHDOS-RWSFTLGLSA-N -1 0 320.349 -0.060 20 0 DBADRM Cc1noc(CCNC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001552403315 1015857706 /nfs/dbraw/zinc/85/77/06/1015857706.db2.gz QTHPSGCKBLGVLI-RNCFNFMXSA-N -1 0 310.310 -0.337 20 0 DBADRM NC(=O)c1ccc(NC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC001552377397 1015857783 /nfs/dbraw/zinc/85/77/83/1015857783.db2.gz NIALNBBFGZFSII-RMLUDKJBSA-N -1 0 320.305 -0.255 20 0 DBADRM Cc1c(CNC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)cnn1C ZINC001552401955 1015857957 /nfs/dbraw/zinc/85/79/57/1015857957.db2.gz INDDKXGADKXYSR-RISCZKNCSA-N -1 0 308.338 -0.029 20 0 DBADRM Cc1noc(CCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001552403321 1015857996 /nfs/dbraw/zinc/85/79/96/1015857996.db2.gz QTHPSGCKBLGVLI-ZANVPECISA-N -1 0 310.310 -0.337 20 0 DBADRM COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(C)c1[O-] ZINC001385188939 994402441 /nfs/dbraw/zinc/40/24/41/994402441.db2.gz AMPAZVZWPIJNEC-UTLUCORTSA-N -1 0 308.338 -0.068 20 0 DBADRM CC(=O)N1CCC(C)(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001400998543 994409507 /nfs/dbraw/zinc/40/95/07/994409507.db2.gz KPFKJIUELMKBOY-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CC(=O)NCC(=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001385247073 994420564 /nfs/dbraw/zinc/42/05/64/994420564.db2.gz WYYJULJVXGTZGK-SNVBAGLBSA-N -1 0 323.353 -0.767 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@]2(O)CCN(C(=O)CC3CC3)C2)c1[O-] ZINC001401053512 994421348 /nfs/dbraw/zinc/42/13/48/994421348.db2.gz BZDIUHXQJOLXFR-OAHLLOKOSA-N -1 0 322.365 -0.083 20 0 DBADRM CC(=O)N(C)[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001385266703 994429549 /nfs/dbraw/zinc/42/95/49/994429549.db2.gz ORRZTCGZEGYPLM-SNVBAGLBSA-N -1 0 311.342 -0.451 20 0 DBADRM CCC(=O)N[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001385320052 994453038 /nfs/dbraw/zinc/45/30/38/994453038.db2.gz QTTFXDKKJBFOQT-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM CCOCC(=O)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001401189486 994473836 /nfs/dbraw/zinc/47/38/36/994473836.db2.gz OTDYOIJCXLGDST-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM Cc1conc1CNC[C@@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001401234162 994491290 /nfs/dbraw/zinc/49/12/90/994491290.db2.gz MECPXZNOYFQHQN-MRVPVSSYSA-N -1 0 322.325 -0.170 20 0 DBADRM CN(CCF)CCN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001401371974 994546912 /nfs/dbraw/zinc/54/69/12/994546912.db2.gz PUHQVFCXFWEEHW-UHFFFAOYSA-N -1 0 303.338 -0.171 20 0 DBADRM CN(CCN(C)C(=O)CCc1cnn(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001401435559 994568716 /nfs/dbraw/zinc/56/87/16/994568716.db2.gz GHWLRXGFEWGYFF-UHFFFAOYSA-N -1 0 321.385 -0.233 20 0 DBADRM CC(C)C(=O)NC[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001385672138 994589081 /nfs/dbraw/zinc/58/90/81/994589081.db2.gz JIVBXHMHDBEKSC-MRVPVSSYSA-N -1 0 309.326 -0.437 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001385683200 994595274 /nfs/dbraw/zinc/59/52/74/994595274.db2.gz LOOLXPMPYNWEMK-VXNVDRBHSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C(CCCF)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001385719343 994609974 /nfs/dbraw/zinc/60/99/74/994609974.db2.gz BFQMFRWXNLSHBE-ZETCQYMHSA-N -1 0 313.289 -0.637 20 0 DBADRM Cc1c(F)cccc1C(=O)NC[C@@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001401514693 994615221 /nfs/dbraw/zinc/61/52/21/994615221.db2.gz VGJTUSACFLMUJR-VIFPVBQESA-N -1 0 323.328 -0.162 20 0 DBADRM Cc1nc(CNC[C@@H](O)CNC(=O)c2[nH]nc(C)c2[O-])c(C)o1 ZINC001401521438 994619619 /nfs/dbraw/zinc/61/96/19/994619619.db2.gz SNAKMYLUEZSNCD-SNVBAGLBSA-N -1 0 323.353 -0.091 20 0 DBADRM CC(=O)N1CCC[C@@H](CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001385977062 994704744 /nfs/dbraw/zinc/70/47/44/994704744.db2.gz ODJPMRDMXLWXON-JTQLQIEISA-N -1 0 311.342 -0.594 20 0 DBADRM Cc1nnc(CC(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)o1 ZINC001401750372 994800146 /nfs/dbraw/zinc/80/01/46/994800146.db2.gz MOGMROHVQVKQPN-ZETCQYMHSA-N -1 0 309.330 -0.619 20 0 DBADRM CCC1(C(=O)N[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001386207519 994804582 /nfs/dbraw/zinc/80/45/82/994804582.db2.gz HSSMTHPBFRJMRX-ZKCHVHJHSA-N -1 0 321.337 -0.150 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001386225565 994811333 /nfs/dbraw/zinc/81/13/33/994811333.db2.gz GREXNYJQWUSWBZ-IONNQARKSA-N -1 0 314.342 -0.680 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CNCc2nnn(C)n2)C2CC2)c1[O-] ZINC001401825608 994821174 /nfs/dbraw/zinc/82/11/74/994821174.db2.gz DYBUBRVPMOULAI-VIFPVBQESA-N -1 0 320.357 -0.755 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1COC(=O)N1)NC(=O)c1ncccc1O ZINC001386245506 994822160 /nfs/dbraw/zinc/82/21/60/994822160.db2.gz MSJPBTXDJCOSAO-JGVFFNPUSA-N -1 0 308.294 -0.870 20 0 DBADRM CN(CC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)C1CC1 ZINC001401883210 994839730 /nfs/dbraw/zinc/83/97/30/994839730.db2.gz OZSYMLJWWBZWHX-SNVBAGLBSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@@]1(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)CCNC(=O)C1 ZINC001401888675 994841342 /nfs/dbraw/zinc/84/13/42/994841342.db2.gz BELKBGXNLNCYGF-YMTOWFKASA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)n1cccn1 ZINC001401887806 994841494 /nfs/dbraw/zinc/84/14/94/994841494.db2.gz UGARFMASDQOBPD-ZJUUUORDSA-N -1 0 305.342 -0.342 20 0 DBADRM C[C@@]1(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)CCC(=O)NC1 ZINC001401961969 994870437 /nfs/dbraw/zinc/87/04/37/994870437.db2.gz OKJPMNDKRNHYLR-CYBMUJFWSA-N -1 0 322.369 -0.835 20 0 DBADRM C[C@@]1(NC(=O)CCn2cccn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402126031 994933264 /nfs/dbraw/zinc/93/32/64/994933264.db2.gz FNUHSHGPFIRMOE-CQSZACIVSA-N -1 0 319.369 -0.122 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2ccnn2C)c1[O-] ZINC001386716401 995044725 /nfs/dbraw/zinc/04/47/25/995044725.db2.gz JEEZSTSAECEPOV-ZETCQYMHSA-N -1 0 306.326 -0.294 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3cncs3)C2)c1[O-] ZINC001402321330 995075016 /nfs/dbraw/zinc/07/50/16/995075016.db2.gz OJGGNNWEKWSFTE-UHFFFAOYSA-N -1 0 323.378 -0.143 20 0 DBADRM C[C@@H](C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C(C)(C)C ZINC001402343437 995093833 /nfs/dbraw/zinc/09/38/33/995093833.db2.gz WJJAYSKMKIIFLY-VIFPVBQESA-N -1 0 311.386 -0.145 20 0 DBADRM CC(C)CN1CC(O)(CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001402353037 995100434 /nfs/dbraw/zinc/10/04/34/995100434.db2.gz FXVRMFNFVOXPJQ-UHFFFAOYSA-N -1 0 319.365 -0.545 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)NCCc1n[n-]c(=S)o1 ZINC001556284246 1015916696 /nfs/dbraw/zinc/91/66/96/1015916696.db2.gz YTJUXIWLYCHVPJ-ZETCQYMHSA-N -1 0 302.356 -0.850 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)[N-]OCCO ZINC001556278821 1015917732 /nfs/dbraw/zinc/91/77/32/1015917732.db2.gz HRNFMOLKXGTKFN-RNCFNFMXSA-N -1 0 304.343 -0.213 20 0 DBADRM CC[C@@]1(C)NC(=O)N(NC(=O)c2c[n-]n3c2nccc3=O)C1=O ZINC001556439380 1015920132 /nfs/dbraw/zinc/92/01/32/1015920132.db2.gz MQHCVFNBEXMGLL-CYBMUJFWSA-N -1 0 318.293 -0.612 20 0 DBADRM O=C(c1cnc2ccccn21)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001556348604 1015920181 /nfs/dbraw/zinc/92/01/81/1015920181.db2.gz RWAGZNZAHQSUOR-UHFFFAOYSA-N -1 0 313.321 -0.029 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)CCc2c[nH]cn2)c1[O-] ZINC001386954500 995192185 /nfs/dbraw/zinc/19/21/85/995192185.db2.gz XMRUQSZVNYQKLM-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM C[C@@H](C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCC1 ZINC001387013896 995215580 /nfs/dbraw/zinc/21/55/80/995215580.db2.gz JJSOPRHWJHQVTJ-MRVPVSSYSA-N -1 0 323.353 -0.093 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1(C)CCC1 ZINC001387030678 995224086 /nfs/dbraw/zinc/22/40/86/995224086.db2.gz TYXWKKIGJUBOFK-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CC(C)[C@@H](F)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387035437 995226126 /nfs/dbraw/zinc/22/61/26/995226126.db2.gz KKIAOAOFFKDFQD-RNFRBKRXSA-N -1 0 315.305 -0.489 20 0 DBADRM CN(CCNC(=O)CC(C)(F)F)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387091498 995251079 /nfs/dbraw/zinc/25/10/79/995251079.db2.gz UDCJZTKCURWFDE-UHFFFAOYSA-N -1 0 321.284 -0.691 20 0 DBADRM COC(=O)NCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001556611296 1015930114 /nfs/dbraw/zinc/93/01/14/1015930114.db2.gz MLVCYHGVYCBWJM-UHFFFAOYSA-N -1 0 305.298 -0.839 20 0 DBADRM O=C(Cc1ccc(-n2cnnc2)cc1)Nn1c(=O)[n-][nH]c1=O ZINC001556825018 1015934585 /nfs/dbraw/zinc/93/45/85/1015934585.db2.gz DRLJGVZVQBGWDS-UHFFFAOYSA-N -1 0 301.266 -0.417 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001402905139 995332622 /nfs/dbraw/zinc/33/26/22/995332622.db2.gz PNBDAJXUSHQWJN-GXSJLCMTSA-N -1 0 324.385 -0.542 20 0 DBADRM CCCN(CCNC(C)=O)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001387377532 995337235 /nfs/dbraw/zinc/33/72/35/995337235.db2.gz LNRDGAYGJYMADO-UHFFFAOYSA-N -1 0 320.353 -0.554 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@@H](C)NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001387436657 995352379 /nfs/dbraw/zinc/35/23/79/995352379.db2.gz KHMZCFIOFUZSAE-SNXWAXQRSA-N -1 0 322.365 -0.059 20 0 DBADRM CCC(=O)NCCN(C(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001387455376 995355389 /nfs/dbraw/zinc/35/53/89/995355389.db2.gz VIDRUNGULNGALR-UHFFFAOYSA-N -1 0 308.338 -0.383 20 0 DBADRM O=C(CC1CC1)NC[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001493450291 1015937641 /nfs/dbraw/zinc/93/76/41/1015937641.db2.gz MRHDBIMYBVKFQH-VIFPVBQESA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H](CNC(=O)C1CC1)C1CC1 ZINC001493450086 1015938315 /nfs/dbraw/zinc/93/83/15/1015938315.db2.gz RYXZNYMMUGGSON-VIFPVBQESA-N -1 0 309.326 -0.890 20 0 DBADRM C[C@H](CNC(=O)c1cn2c(n1)CCC2)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403128421 995417659 /nfs/dbraw/zinc/41/76/59/995417659.db2.gz QRSACKPSCWZFPL-SECBINFHSA-N -1 0 319.369 -0.097 20 0 DBADRM C[C@@H](CNC(=O)C1(F)CCOCC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403135072 995420944 /nfs/dbraw/zinc/42/09/44/995420944.db2.gz MDPIAHSROOLPCP-VIFPVBQESA-N -1 0 315.349 -0.035 20 0 DBADRM C[C@@H](CNC(=O)CCc1cn(C)nn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403229733 995462215 /nfs/dbraw/zinc/46/22/15/995462215.db2.gz ZJHJJTGVZOSJBE-VIFPVBQESA-N -1 0 322.373 -0.792 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001403294444 995477376 /nfs/dbraw/zinc/47/73/76/995477376.db2.gz DKYOGAYCTWFOMC-IUCAKERBSA-N -1 0 324.385 -0.639 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC001557204697 1015948112 /nfs/dbraw/zinc/94/81/12/1015948112.db2.gz HWXLPFXMUMDUKL-UHFFFAOYSA-N -1 0 323.309 -0.814 20 0 DBADRM C[C@H](CCNC(=O)[C@H](C)n1cncn1)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001403363623 995497280 /nfs/dbraw/zinc/49/72/80/995497280.db2.gz SKBRWFGFRMJCID-BDAKNGLRSA-N -1 0 308.346 -0.653 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2cnc(C)cn2)c1[O-] ZINC001403634868 995604265 /nfs/dbraw/zinc/60/42/65/995604265.db2.gz AKLDAYMYYIJCFZ-NSHDSACASA-N -1 0 320.353 -0.597 20 0 DBADRM Cc1nc(CN[C@H](C)CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001403634466 995604981 /nfs/dbraw/zinc/60/49/81/995604981.db2.gz RZNUUWDTBLHTQX-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)N[C@H](C)c2cnccn2)c1[O-] ZINC001403640405 995609884 /nfs/dbraw/zinc/60/98/84/995609884.db2.gz HJBPYBLOSZYGKC-PSASIEDQSA-N -1 0 320.353 -0.345 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccc(Cl)o1 ZINC001403653532 995617861 /nfs/dbraw/zinc/61/78/61/995617861.db2.gz JKMUZGOUAJSZII-ZCFIWIBFSA-N -1 0 315.717 -0.363 20 0 DBADRM CN(CCNC(=O)[C@H]1CCCc2nn[nH]c21)Cc1n[nH]c(=O)[n-]1 ZINC001403673174 995637534 /nfs/dbraw/zinc/63/75/34/995637534.db2.gz YCNCKPITNDAMIO-QMMMGPOBSA-N -1 0 320.357 -0.704 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C1C=CC=CC=C1 ZINC001403672084 995637619 /nfs/dbraw/zinc/63/76/19/995637619.db2.gz IGVFJPAYQSYJHY-LLVKDONJSA-N -1 0 305.338 -0.625 20 0 DBADRM CCN(CCNC(=O)[C@@H](C)C1CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001388224100 995638834 /nfs/dbraw/zinc/63/88/34/995638834.db2.gz IBQPZFGZCFSSDT-QMMMGPOBSA-N -1 0 323.353 -0.093 20 0 DBADRM CCC(=O)N[C@](C)(CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001388241263 995641232 /nfs/dbraw/zinc/64/12/32/995641232.db2.gz DICHRCVUAZDOKN-CYBMUJFWSA-N -1 0 309.326 -0.293 20 0 DBADRM CCN(CCNC(=O)c1ncn(C)n1)C(=O)c1n[nH]c(C)c1[O-] ZINC001388248186 995643914 /nfs/dbraw/zinc/64/39/14/995643914.db2.gz KNENVQJRSXGAQM-UHFFFAOYSA-N -1 0 321.341 -0.556 20 0 DBADRM CC(C)C(=O)N[C@](C)(CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001388254618 995645027 /nfs/dbraw/zinc/64/50/27/995645027.db2.gz NTTZKZYMPWTUCH-CQSZACIVSA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1ccc(F)cc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001403703443 995659993 /nfs/dbraw/zinc/65/99/93/995659993.db2.gz UXGOKSPNSKQAHV-SNVBAGLBSA-N -1 0 323.328 -0.162 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388505194 995705448 /nfs/dbraw/zinc/70/54/48/995705448.db2.gz GXYWDCROXFUNCO-JGVFFNPUSA-N -1 0 317.321 -0.694 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001388607120 995715226 /nfs/dbraw/zinc/71/52/26/995715226.db2.gz CTRRXBXVRPQWKK-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM CCN(CCNC(=O)C[C@H]1COC(=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001403846615 995728016 /nfs/dbraw/zinc/72/80/16/995728016.db2.gz SIWWUDSYKMIPBI-SECBINFHSA-N -1 0 311.342 -0.598 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])Cc1ncnn1C ZINC001403848814 995729888 /nfs/dbraw/zinc/72/98/88/995729888.db2.gz YXEOHVVQDLWGEC-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM CC(C)(C)OC(=O)NOCC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001558077915 1015970013 /nfs/dbraw/zinc/97/00/13/1015970013.db2.gz FSMHQMSXJRBUCZ-QMMMGPOBSA-N -1 0 312.330 -0.028 20 0 DBADRM Cc1noc(CNC[C@@H](O)CN(C)C(=O)c2cnc[nH]c2=O)n1 ZINC001403857707 995735751 /nfs/dbraw/zinc/73/57/51/995735751.db2.gz YSFFGUOGPKIJLB-SECBINFHSA-N -1 0 322.325 -0.904 20 0 DBADRM Cc1ncoc1C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001403906835 995770180 /nfs/dbraw/zinc/77/01/80/995770180.db2.gz ILSIIIJUGUEJIV-VIFPVBQESA-N -1 0 324.341 -0.628 20 0 DBADRM CC(C)C(=O)NC[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)C ZINC001388867731 995772257 /nfs/dbraw/zinc/77/22/57/995772257.db2.gz IKASBIQOYRDOEY-MRVPVSSYSA-N -1 0 311.342 -0.191 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1cc(C)no1 ZINC001403939421 995782034 /nfs/dbraw/zinc/78/20/34/995782034.db2.gz KLJGVWGRNBQQCM-UHFFFAOYSA-N -1 0 324.341 -0.376 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)Cn2ccnc2)c1[O-] ZINC001388990381 995794251 /nfs/dbraw/zinc/79/42/51/995794251.db2.gz LKOBYRGNVFVJKL-UHFFFAOYSA-N -1 0 320.353 -0.149 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)C(C)(F)F)c1[O-] ZINC001389032873 995803430 /nfs/dbraw/zinc/80/34/30/995803430.db2.gz ANXLOAHTFHHHQF-LURJTMIESA-N -1 0 306.269 -0.714 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@]1(F)CCOC1 ZINC001404077029 995814170 /nfs/dbraw/zinc/81/41/70/995814170.db2.gz WOHZPZBMDLQTKS-ZANVPECISA-N -1 0 313.333 -0.423 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)COC(C)C)c1[O-] ZINC001389072457 995827313 /nfs/dbraw/zinc/82/73/13/995827313.db2.gz FXMIJCHVIWSPLE-VIFPVBQESA-N -1 0 314.342 -0.944 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001404206171 995834944 /nfs/dbraw/zinc/83/49/44/995834944.db2.gz AXRHSUWSLMEKED-RNFRBKRXSA-N -1 0 311.342 -0.048 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001389084452 995837828 /nfs/dbraw/zinc/83/78/28/995837828.db2.gz MPJXLZSXIBRRLF-OPRDCNLKSA-N -1 0 310.354 -0.323 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001404287954 995845933 /nfs/dbraw/zinc/84/59/33/995845933.db2.gz MTSJZGNUNKMWHM-SFYZADRCSA-N -1 0 311.342 -0.094 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001404287938 995846452 /nfs/dbraw/zinc/84/64/52/995846452.db2.gz MTSJZGNUNKMWHM-HTQZYQBOSA-N -1 0 311.342 -0.094 20 0 DBADRM CC(=O)NCC(=O)N(C)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001404341932 995859655 /nfs/dbraw/zinc/85/96/55/995859655.db2.gz XWRPQAMUWMWKSE-SSDOTTSWSA-N -1 0 311.342 -0.863 20 0 DBADRM CCCC(=O)N[C@H](C)CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001389126402 995864309 /nfs/dbraw/zinc/86/43/09/995864309.db2.gz JKJBHQSLLYXLAL-MRVPVSSYSA-N -1 0 311.342 -0.364 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)CCc3nnc[nH]3)C2)c1[O-] ZINC001389165055 995880415 /nfs/dbraw/zinc/88/04/15/995880415.db2.gz GVNQXJVNTMSRSE-UHFFFAOYSA-N -1 0 319.325 -0.885 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001389279954 995918818 /nfs/dbraw/zinc/91/88/18/995918818.db2.gz YUGYAAAAYUJBFP-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM CS[C@@H](C)C(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001389312932 995932464 /nfs/dbraw/zinc/93/24/64/995932464.db2.gz LPVUQKOVAIYHPE-BQBZGAKWSA-N -1 0 317.371 -0.938 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)Cn2ccnc2C)c1[O-] ZINC001389371946 995956361 /nfs/dbraw/zinc/95/63/61/995956361.db2.gz DCSRIJVGBBEGQF-QMMMGPOBSA-N -1 0 320.353 -0.137 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001389385704 995962523 /nfs/dbraw/zinc/96/25/23/995962523.db2.gz GZVIOLFFQHQZIH-GHMZBOCLSA-N -1 0 324.385 -0.494 20 0 DBADRM CC[C@H](C)[C@H](C)C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389404193 995969571 /nfs/dbraw/zinc/96/95/71/995969571.db2.gz WZTCUWGDIRIHCO-YUMQZZPRSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(C)[C@@H](C)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001389520101 996020563 /nfs/dbraw/zinc/02/05/63/996020563.db2.gz ORNXKDSGAMGYLC-JGVFFNPUSA-N -1 0 311.342 -0.191 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001389522333 996023227 /nfs/dbraw/zinc/02/32/27/996023227.db2.gz OGVJEDKVEKYKCZ-MRVPVSSYSA-N -1 0 323.353 -0.863 20 0 DBADRM CC(=O)NCC(=O)NCC1(NC(=O)c2c(C)nc[nH]c2=O)CC1 ZINC001389766127 996092500 /nfs/dbraw/zinc/09/25/00/996092500.db2.gz BIKQCOFNPQCILJ-UHFFFAOYSA-N -1 0 321.337 -0.995 20 0 DBADRM CCC(C)(C)C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389909493 996136619 /nfs/dbraw/zinc/13/66/19/996136619.db2.gz IEBRFDVUXCSBEY-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM CC[C@H](C)C(=O)NC[C@H](CC)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001390242518 996209695 /nfs/dbraw/zinc/20/96/95/996209695.db2.gz VNMWRPQLFGRFRV-YUMQZZPRSA-N -1 0 311.342 -0.047 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc(C(=O)OC)nn1C ZINC001596876139 1017174975 /nfs/dbraw/zinc/17/49/75/1017174975.db2.gz VYUOXUMZKBJMMJ-SNVBAGLBSA-N -1 0 313.310 -0.232 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1 ZINC001596872514 1017175044 /nfs/dbraw/zinc/17/50/44/1017175044.db2.gz MEUPMPLWBSEJFW-LMLFDSFASA-N -1 0 317.338 -0.099 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)[C@H]2CCCN(C)C2=O)c1[O-] ZINC001390755515 996359494 /nfs/dbraw/zinc/35/94/94/996359494.db2.gz WCKJWDBLBMKPJN-JTQLQIEISA-N -1 0 309.370 -0.294 20 0 DBADRM COCc1nn(C)cc1C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001390780779 996369188 /nfs/dbraw/zinc/36/91/88/996369188.db2.gz CIOQMIWBNOEFBY-UHFFFAOYSA-N -1 0 323.357 -0.748 20 0 DBADRM CCn1ccc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001390781891 996371801 /nfs/dbraw/zinc/37/18/01/996371801.db2.gz MHSBUOJYLBPECX-UHFFFAOYSA-N -1 0 321.341 -0.639 20 0 DBADRM Cc1ccc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)c(=O)[nH]1 ZINC001390822705 996384510 /nfs/dbraw/zinc/38/45/10/996384510.db2.gz HUGNLZGQVHLDIM-UHFFFAOYSA-N -1 0 306.326 -0.219 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@H](O)[C@H](F)C2)C1 ZINC001593761612 996423098 /nfs/dbraw/zinc/42/30/98/996423098.db2.gz BVFIAYQVVCLGFI-BFVZDQMLSA-N -1 0 316.329 -0.369 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001391053484 996430248 /nfs/dbraw/zinc/43/02/48/996430248.db2.gz TZLZFNJHTOIBRQ-NXEZZACHSA-N -1 0 320.357 -0.556 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC001593762538 996431299 /nfs/dbraw/zinc/43/12/99/996431299.db2.gz NZJGVXPBHQXKOX-JRPNMDOOSA-N -1 0 310.350 -0.196 20 0 DBADRM CC[C@H](OC)C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[nH]1 ZINC001391055358 996431783 /nfs/dbraw/zinc/43/17/83/996431783.db2.gz XYHIIEUKGVIEDF-MNOVXSKESA-N -1 0 311.386 -0.386 20 0 DBADRM C[C@@]1(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)CCC(=O)N1 ZINC001391061373 996434033 /nfs/dbraw/zinc/43/40/33/996434033.db2.gz LVILVSATSNHKOH-OTYXRUKQSA-N -1 0 322.369 -0.740 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCCn2cccn2)C1 ZINC001593765409 996441248 /nfs/dbraw/zinc/44/12/48/996441248.db2.gz QZCLMEHMCAGSJC-AWEZNQCLSA-N -1 0 308.338 -0.287 20 0 DBADRM O=C(CCn1ccnn1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391087843 996445273 /nfs/dbraw/zinc/44/52/73/996445273.db2.gz SSBFUCIAOOHDLE-JTQLQIEISA-N -1 0 320.357 -0.870 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)[C@]23C[C@H]2COC3)c1[O-] ZINC001391225227 996494724 /nfs/dbraw/zinc/49/47/24/996494724.db2.gz UATBEUJOHKFWFY-OWCSCZDJSA-N -1 0 322.365 -0.058 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)[C@@H]1CC12CC2 ZINC001391314548 996512547 /nfs/dbraw/zinc/51/25/47/996512547.db2.gz FIBNZOMNWNPOBM-BDAKNGLRSA-N -1 0 323.353 -0.642 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391389157 996529571 /nfs/dbraw/zinc/52/95/71/996529571.db2.gz VTPZVUTWXRZECW-IUCAKERBSA-N -1 0 310.358 -0.898 20 0 DBADRM O=C(CCc1c[nH]cn1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391545382 996571347 /nfs/dbraw/zinc/57/13/47/996571347.db2.gz AOWGDRJZNHOUHB-JTQLQIEISA-N -1 0 305.342 -0.443 20 0 DBADRM CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)[C@H]1CCN(CCF)C1 ZINC001391606045 996589500 /nfs/dbraw/zinc/58/95/00/996589500.db2.gz ADZWJPCUSAMCEQ-JTQLQIEISA-N -1 0 315.349 -0.028 20 0 DBADRM CN(CCN(C)C(=O)C1CCC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001391709018 996616126 /nfs/dbraw/zinc/61/61/26/996616126.db2.gz SSVYZENRLNEWOB-UHFFFAOYSA-N -1 0 309.326 -0.387 20 0 DBADRM CC1(C)C[C@@H](NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C(=O)O1 ZINC001593856719 996642566 /nfs/dbraw/zinc/64/25/66/996642566.db2.gz IGFDSTBPJFPTNX-RKDXNWHRSA-N -1 0 312.322 -0.480 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001593867983 996673744 /nfs/dbraw/zinc/67/37/44/996673744.db2.gz BMEAJIRBQGMERT-BDAKNGLRSA-N -1 0 308.338 -0.468 20 0 DBADRM CC(C)C(=O)N[C@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001392221518 996757883 /nfs/dbraw/zinc/75/78/83/996757883.db2.gz UIRPHOYSNQIDBB-SECBINFHSA-N -1 0 320.353 -0.652 20 0 DBADRM CCCNC(=O)CN(C)CCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001392272479 996772122 /nfs/dbraw/zinc/77/21/22/996772122.db2.gz UDXFWRQTFSGTEB-UHFFFAOYSA-N -1 0 311.386 -0.046 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2cn(C)nn2)c1[O-] ZINC001392285162 996776519 /nfs/dbraw/zinc/77/65/19/996776519.db2.gz YJCLPAMLGXKSOK-ZCFIWIBFSA-N -1 0 307.314 -0.899 20 0 DBADRM CN(CCN(C)C(=O)c1ccn(C)c(=O)c1)Cc1n[nH]c(=O)[n-]1 ZINC001392285245 996776952 /nfs/dbraw/zinc/77/69/52/996776952.db2.gz PKMFSAWZFUQPJG-UHFFFAOYSA-N -1 0 320.353 -0.587 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)[C@H]1C[C@@H]1C ZINC001404441254 996783065 /nfs/dbraw/zinc/78/30/65/996783065.db2.gz PKMQUSADQULKFF-YIZRAAEISA-N -1 0 311.342 -0.692 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccnc2c1nnn2C ZINC001596879555 1017176461 /nfs/dbraw/zinc/17/64/61/1017176461.db2.gz MUOVCFLCTBCDAF-SECBINFHSA-N -1 0 307.310 -0.075 20 0 DBADRM CC(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCCCC1 ZINC001404559939 996817356 /nfs/dbraw/zinc/81/73/56/996817356.db2.gz FMWJBIZLFBZJJS-UHFFFAOYSA-N -1 0 311.342 -0.356 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001599075076 996844086 /nfs/dbraw/zinc/84/40/86/996844086.db2.gz QGZFKSSBKITBBS-AWEZNQCLSA-N -1 0 307.306 -0.195 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001599075077 996844696 /nfs/dbraw/zinc/84/46/96/996844696.db2.gz QGZFKSSBKITBBS-CQSZACIVSA-N -1 0 307.306 -0.195 20 0 DBADRM CCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001404713829 996848640 /nfs/dbraw/zinc/84/86/40/996848640.db2.gz FTTWNEWOTRFDJD-WHUPJOBBSA-N -1 0 307.310 -0.873 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001599075537 996853627 /nfs/dbraw/zinc/85/36/27/996853627.db2.gz MAJBOZKUQLDKGM-AWEZNQCLSA-N -1 0 321.289 -0.272 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccccc2-n2cnnn2)C1 ZINC001599075900 996862711 /nfs/dbraw/zinc/86/27/11/996862711.db2.gz WAFCNRNLKNEHBP-CQSZACIVSA-N -1 0 317.305 -0.022 20 0 DBADRM CC1(C)CN(C(=O)CC(N)=O)C[C@H]1Nc1ccnc(C(=O)[O-])n1 ZINC001593928812 996879618 /nfs/dbraw/zinc/87/96/18/996879618.db2.gz UUCPRAVJMREJMG-MRVPVSSYSA-N -1 0 321.337 -0.879 20 0 DBADRM CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1Nc1ccnc(C(=O)[O-])n1 ZINC001593928813 996879647 /nfs/dbraw/zinc/87/96/47/996879647.db2.gz UUCPRAVJMREJMG-QMMMGPOBSA-N -1 0 321.337 -0.879 20 0 DBADRM CC1(C)CN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C[C@H](CO)O1 ZINC001593929277 996890079 /nfs/dbraw/zinc/89/00/79/996890079.db2.gz RCZSGHJNWQOQTP-SNVBAGLBSA-N -1 0 324.333 -0.455 20 0 DBADRM CC1(C)CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCS1(=O)=O ZINC001593935422 996910123 /nfs/dbraw/zinc/91/01/23/996910123.db2.gz OXGAYYVVCRHJSB-BDAKNGLRSA-N -1 0 305.352 -0.346 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cc[nH]c1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001405067797 996985128 /nfs/dbraw/zinc/98/51/28/996985128.db2.gz SKGVNACHPULVMT-QMMMGPOBSA-N -1 0 322.325 -0.706 20 0 DBADRM CC/C=C(\C)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001493906613 1016089055 /nfs/dbraw/zinc/08/90/55/1016089055.db2.gz OXRVXWBPLILWLE-SGDMMICCSA-N -1 0 321.337 -0.030 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)Cc2cnnn2C)c1[O-] ZINC001392636316 997104202 /nfs/dbraw/zinc/10/42/02/997104202.db2.gz ACIKCEBNCCWDGA-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CN(C)C(=O)C1CC1 ZINC001392654305 997117175 /nfs/dbraw/zinc/11/71/75/997117175.db2.gz ARHZFTWFELVSQL-SECBINFHSA-N -1 0 324.385 -0.685 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1=O ZINC001593968199 997117676 /nfs/dbraw/zinc/11/76/76/997117676.db2.gz CJQRQJJTTHSBFV-VHSXEESVSA-N -1 0 323.349 -0.114 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1c[nH]cn1 ZINC001392655720 997120982 /nfs/dbraw/zinc/12/09/82/997120982.db2.gz AAVGOFYGTVCRKL-SECBINFHSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cn[nH]c(=O)c1 ZINC001392667372 997127488 /nfs/dbraw/zinc/12/74/88/997127488.db2.gz PECMBLQALYXCMV-SSDOTTSWSA-N -1 0 307.314 -0.744 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1csc(=O)[nH]1 ZINC001392694784 997148035 /nfs/dbraw/zinc/14/80/35/997148035.db2.gz PQTXTERFFXWPFD-LURJTMIESA-N -1 0 312.355 -0.077 20 0 DBADRM CC1(C)OC[C@@H](CCN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])O1 ZINC001593973769 997151995 /nfs/dbraw/zinc/15/19/95/997151995.db2.gz IQCFGKQMFNAMEA-NXEZZACHSA-N -1 0 307.368 -0.288 20 0 DBADRM CCOCCCCNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001596907408 1017177968 /nfs/dbraw/zinc/17/79/68/1017177968.db2.gz HFFWXQALCOKQIJ-GHMZBOCLSA-N -1 0 316.354 -0.787 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC1(C)C ZINC001392760615 997188270 /nfs/dbraw/zinc/18/82/70/997188270.db2.gz YREJPASYOVJHRY-NKWVEPMBSA-N -1 0 309.326 -0.437 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1nncn1C ZINC001599194534 997190707 /nfs/dbraw/zinc/19/07/07/997190707.db2.gz IRIPNMFJSSJOGY-JTQLQIEISA-N -1 0 304.328 -0.931 20 0 DBADRM C[C@@]1(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)CCC(=O)NC1 ZINC001392857153 997274265 /nfs/dbraw/zinc/27/42/65/997274265.db2.gz KRYDXJMWGRUGQJ-LKFCYVNXSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001392865966 997278750 /nfs/dbraw/zinc/27/87/50/997278750.db2.gz ALVLGGWVRDKZLZ-JTQLQIEISA-N -1 0 319.369 -0.217 20 0 DBADRM CC(=O)NC[C@@H]1CC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001405530055 997309532 /nfs/dbraw/zinc/30/95/32/997309532.db2.gz AOTQLEPOSDTBHW-NXEZZACHSA-N -1 0 323.353 -0.364 20 0 DBADRM CCCC(=O)NC[C@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001392935547 997336964 /nfs/dbraw/zinc/33/69/64/997336964.db2.gz ACTURICNMPNFLJ-QMMMGPOBSA-N -1 0 311.342 -0.364 20 0 DBADRM CCn1cc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001406080262 997507445 /nfs/dbraw/zinc/50/74/45/997507445.db2.gz PYJFXQANEAJFSN-UHFFFAOYSA-N -1 0 307.358 -0.069 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@H]1CNC(=O)c1ncccc1O ZINC001393301100 997557256 /nfs/dbraw/zinc/55/72/56/997557256.db2.gz CAQPIGPYRQBJDK-JTQLQIEISA-N -1 0 306.322 -0.746 20 0 DBADRM O=C(CCC(F)(F)F)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393303633 997559707 /nfs/dbraw/zinc/55/97/07/997559707.db2.gz KNIYCLSEDADLKQ-UHFFFAOYSA-N -1 0 323.275 -0.484 20 0 DBADRM CCOC[C@@H]1CN([C@H]2CCN(CCC(=O)[O-])C2=O)CCO1 ZINC001596897095 1017179030 /nfs/dbraw/zinc/17/90/30/1017179030.db2.gz VYBCMERWEJXNEZ-RYUDHWBXSA-N -1 0 300.355 -0.201 20 0 DBADRM CC1(CCC(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001393347700 997607868 /nfs/dbraw/zinc/60/78/68/997607868.db2.gz BVTSFFBIMZGZNA-UHFFFAOYSA-N -1 0 309.370 -0.247 20 0 DBADRM C[C@@H](CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001393357758 997618955 /nfs/dbraw/zinc/61/89/55/997618955.db2.gz IKVPCDFSUJIAKM-VIFPVBQESA-N -1 0 309.370 -0.391 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001393406840 997637207 /nfs/dbraw/zinc/63/72/07/997637207.db2.gz AWTIUGBOVROXHU-DTWKUNHWSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(CO)CCCN(CCF)C2)c1[O-] ZINC001393433088 997658515 /nfs/dbraw/zinc/65/85/15/997658515.db2.gz QECVVEHHIHLIKQ-CYBMUJFWSA-N -1 0 300.334 -0.050 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1(CNC(=O)C2CCCC2)CC1 ZINC001393505899 997700816 /nfs/dbraw/zinc/70/08/16/997700816.db2.gz QDSVPMUNSOHYRD-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM Cc1nnsc1C(=O)NCC1(NC(=O)c2cn[nH]n2)CC1 ZINC001393532195 997715374 /nfs/dbraw/zinc/71/53/74/997715374.db2.gz CCYKSYYIXDCQJS-UHFFFAOYSA-N -1 0 307.339 -0.343 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3cncnc3)CC2)c1[O-] ZINC001393608576 997765028 /nfs/dbraw/zinc/76/50/28/997765028.db2.gz AKBXVAUUULSJJU-UHFFFAOYSA-N -1 0 316.321 -0.094 20 0 DBADRM CCC(=O)NC[C@H]1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001406539931 997811122 /nfs/dbraw/zinc/81/11/22/997811122.db2.gz KIUMOBBHINYYTH-DTORHVGOSA-N -1 0 323.353 -0.364 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001393758545 997831633 /nfs/dbraw/zinc/83/16/33/997831633.db2.gz OXTWRNKBSHTJBB-RNFRBKRXSA-N -1 0 307.310 -0.683 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@H]1CCN(C)C1=O ZINC001406626030 997839048 /nfs/dbraw/zinc/83/90/48/997839048.db2.gz MXIVWWZRVNWRHO-VHSXEESVSA-N -1 0 324.385 -0.685 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cccn(C)c1=O ZINC001406701586 997856531 /nfs/dbraw/zinc/85/65/31/997856531.db2.gz ULHITIKUYWRQJC-SECBINFHSA-N -1 0 320.353 -0.541 20 0 DBADRM O=C(CO[C@@H]1CCOC1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001406831027 997891130 /nfs/dbraw/zinc/89/11/30/997891130.db2.gz PJVHQUXUTUVVQA-NXEZZACHSA-N -1 0 311.342 -0.994 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001406847870 997897162 /nfs/dbraw/zinc/89/71/62/997897162.db2.gz COEKLTICNJKDGC-NXEZZACHSA-N -1 0 322.369 -0.740 20 0 DBADRM O=C(Cc1cscn1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001406854797 997901812 /nfs/dbraw/zinc/90/18/12/997901812.db2.gz KRDOTCFYSWUOSD-SECBINFHSA-N -1 0 308.367 -0.100 20 0 DBADRM O=C(COc1cccnc1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001406885038 997918180 /nfs/dbraw/zinc/91/81/80/997918180.db2.gz ODYRBSMYUUHAFS-JTQLQIEISA-N -1 0 318.337 -0.325 20 0 DBADRM O=C(CCCn1cccn1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001406910898 997931611 /nfs/dbraw/zinc/93/16/11/997931611.db2.gz SGNFCTGPQAUFJH-LLVKDONJSA-N -1 0 319.369 -0.122 20 0 DBADRM COCCN(CCF)C(=O)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001599236567 997957550 /nfs/dbraw/zinc/95/75/50/997957550.db2.gz MESGDYLQAXGDQT-UWVGGRQHSA-N -1 0 320.317 -0.963 20 0 DBADRM COCCN(CCOC)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001599238049 997981869 /nfs/dbraw/zinc/98/18/69/997981869.db2.gz IZUZEGZSLYTBCM-QWRGUYRKSA-N -1 0 304.343 -0.220 20 0 DBADRM CC(C)[C@@H](C)C(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001394110415 997984429 /nfs/dbraw/zinc/98/44/29/997984429.db2.gz HDOCXCLOADAUDG-MRVPVSSYSA-N -1 0 323.353 -0.142 20 0 DBADRM COCCN(CCNC(=O)C(F)F)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001599238595 997992815 /nfs/dbraw/zinc/99/28/15/997992815.db2.gz OQKCLERUPAOTHF-YUMQZZPRSA-N -1 0 308.281 -0.437 20 0 DBADRM Cc1cc(CN(C)[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001394129812 997996497 /nfs/dbraw/zinc/99/64/97/997996497.db2.gz GIHIFFQYTKAEQH-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM Cc1ncc(CN(C)[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001394135700 998000376 /nfs/dbraw/zinc/00/03/76/998000376.db2.gz ZYPBACXUMZXZPT-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1=O ZINC001599239454 998010854 /nfs/dbraw/zinc/01/08/54/998010854.db2.gz DDMOQFHTTBXMEP-OZWUEAAUSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)C1=CCCC1 ZINC001394149304 998011636 /nfs/dbraw/zinc/01/16/36/998011636.db2.gz VNAMTMALEBTLJA-UHFFFAOYSA-N -1 0 307.354 -0.326 20 0 DBADRM O=C(CCCF)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001407133214 998034805 /nfs/dbraw/zinc/03/48/05/998034805.db2.gz BKONZEJGYZTUFG-MRVPVSSYSA-N -1 0 315.305 -0.844 20 0 DBADRM C[C@]1(NC(=O)Cc2c[nH]cn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407169716 998051733 /nfs/dbraw/zinc/05/17/33/998051733.db2.gz QDYHBRMVOGQGED-ZDUSSCGKSA-N -1 0 305.342 -0.443 20 0 DBADRM CCOCCOCC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001596935144 1017181210 /nfs/dbraw/zinc/18/12/10/1017181210.db2.gz KNMRJCNFAKBZIH-WDEREUQCSA-N -1 0 317.338 -0.096 20 0 DBADRM C[C@@]1(NC(=O)CCn2ccnc2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407186488 998059348 /nfs/dbraw/zinc/05/93/48/998059348.db2.gz YHSVRLNMFCLCLC-CQSZACIVSA-N -1 0 319.369 -0.122 20 0 DBADRM CCOCCO[C@H]1CCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC001596938606 1017181243 /nfs/dbraw/zinc/18/12/43/1017181243.db2.gz WBGQMJLJUPWKNA-NSHDSACASA-N -1 0 324.399 -0.235 20 0 DBADRM CC1(C)CC[C@@H]1C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407361711 998134176 /nfs/dbraw/zinc/13/41/76/998134176.db2.gz HYUBZPUCOBOACI-MEBBXXQBSA-N -1 0 323.397 -0.001 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)ns1 ZINC001394586034 998247746 /nfs/dbraw/zinc/24/77/46/998247746.db2.gz LLXWBMRXDBDGBP-ZETCQYMHSA-N -1 0 312.355 -0.844 20 0 DBADRM COC[C@@](C)(CC(=O)OC)NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001599150799 998294687 /nfs/dbraw/zinc/29/46/87/998294687.db2.gz FTILMPNILQOKGO-LLVKDONJSA-N -1 0 323.367 -0.119 20 0 DBADRM COC[C@](C)(CC(=O)OC)NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001599150800 998295094 /nfs/dbraw/zinc/29/50/94/998295094.db2.gz FTILMPNILQOKGO-NSHDSACASA-N -1 0 323.367 -0.119 20 0 DBADRM COC[C@](C)(NC(=O)/C=C(\C)CN1CCOCC1)C(=O)[O-] ZINC001599150950 998296757 /nfs/dbraw/zinc/29/67/57/998296757.db2.gz CELCGQZPKDHCBQ-ZHZWZMEUSA-N -1 0 300.355 -0.129 20 0 DBADRM COC[C@@](C)(CC(=O)OC)NS(=O)(=O)CCCC(=O)[O-] ZINC001599151086 998300147 /nfs/dbraw/zinc/30/01/47/998300147.db2.gz PAITYJIPUFLLEL-LLVKDONJSA-N -1 0 311.356 -0.261 20 0 DBADRM O=C(CCCF)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001407774625 998363425 /nfs/dbraw/zinc/36/34/25/998363425.db2.gz BKONZEJGYZTUFG-QMMMGPOBSA-N -1 0 315.305 -0.844 20 0 DBADRM CC(C)[C@@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001407908142 998422488 /nfs/dbraw/zinc/42/24/88/998422488.db2.gz ISNDYBPUFKVFSX-HLTSFMKQSA-N -1 0 323.353 -0.048 20 0 DBADRM C[C@@H](CNC(=O)C1CC(C)C1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001408129062 998512893 /nfs/dbraw/zinc/51/28/93/998512893.db2.gz PBEXTDISNJPOOK-KYHHOPLUSA-N -1 0 322.365 -0.234 20 0 DBADRM COCCN(CCNC(=O)[C@H]1CC12CC2)Cc1n[nH]c(=O)[n-]1 ZINC001394838710 998517537 /nfs/dbraw/zinc/51/75/37/998517537.db2.gz WCYRJJIZGCWBDZ-SNVBAGLBSA-N -1 0 309.370 -0.125 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CC(NC(=O)C2CC2)C1 ZINC001394879935 998531335 /nfs/dbraw/zinc/53/13/35/998531335.db2.gz MRIZGGDDDBJMCK-UHFFFAOYSA-N -1 0 309.326 -0.890 20 0 DBADRM C[C@@H](NC(=O)C1CC1)[C@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001394926695 998545447 /nfs/dbraw/zinc/54/54/47/998545447.db2.gz HVCSCYVPTHIQIY-JGVFFNPUSA-N -1 0 323.353 -0.365 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@@H]2CC(=O)N(C)C2)c1[O-] ZINC001408194764 998547162 /nfs/dbraw/zinc/54/71/62/998547162.db2.gz GXTFOBUEISYGJK-IONNQARKSA-N -1 0 323.353 -0.863 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001408253126 998574366 /nfs/dbraw/zinc/57/43/66/998574366.db2.gz HIMMMYNPGVYJHZ-BWVDBABLSA-N -1 0 321.337 -0.437 20 0 DBADRM CC(C)C(=O)N1CC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001408368746 998615067 /nfs/dbraw/zinc/61/50/67/998615067.db2.gz WTJCQBSWUOQRBX-SECBINFHSA-N -1 0 311.342 -0.690 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)c1ccoc1 ZINC001395135917 998615434 /nfs/dbraw/zinc/61/54/34/998615434.db2.gz TXMLTYWQIHFXSA-MRVPVSSYSA-N -1 0 323.309 -0.441 20 0 DBADRM COC[C@@H](C)C(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001494356718 1016227809 /nfs/dbraw/zinc/22/78/09/1016227809.db2.gz WUXRBKIICPXVRO-SNVBAGLBSA-N -1 0 319.365 -0.395 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNC(=O)Cn2cncn2)c1[O-] ZINC001395177206 998627273 /nfs/dbraw/zinc/62/72/73/998627273.db2.gz KPIBHEIMFNRWJK-QMMMGPOBSA-N -1 0 321.341 -0.708 20 0 DBADRM COCC(=O)NCCN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001408511029 998645597 /nfs/dbraw/zinc/64/55/97/998645597.db2.gz HLALOTXBSOODBV-UHFFFAOYSA-N -1 0 308.294 -0.237 20 0 DBADRM CSCC(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001395625839 998696357 /nfs/dbraw/zinc/69/63/57/998696357.db2.gz CGDWOGJRIZHDEH-LURJTMIESA-N -1 0 315.355 -0.778 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1ccoc1 ZINC001395630615 998697810 /nfs/dbraw/zinc/69/78/10/998697810.db2.gz QVMTYLOXPQFFKA-QMMMGPOBSA-N -1 0 323.309 -0.441 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001395635200 998698936 /nfs/dbraw/zinc/69/89/36/998698936.db2.gz YVTPZIXERBJOKY-FXQIFTODSA-N -1 0 309.326 -0.485 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC001395718558 998738365 /nfs/dbraw/zinc/73/83/65/998738365.db2.gz CRFPCOSRLSUIDB-ZDCRXTMVSA-N -1 0 322.365 -0.323 20 0 DBADRM CC[C@H](F)C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001395718596 998738593 /nfs/dbraw/zinc/73/85/93/998738593.db2.gz DDJSSPLTDNFIBM-YUMQZZPRSA-N -1 0 302.306 -0.621 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC23CC3)c1[O-] ZINC001395729893 998745896 /nfs/dbraw/zinc/74/58/96/998745896.db2.gz RNSNOCMPOAMFFU-BDAKNGLRSA-N -1 0 308.338 -0.569 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@H](C)C2CC2)c1[O-] ZINC001395732341 998748153 /nfs/dbraw/zinc/74/81/53/998748153.db2.gz YHCDBWCKNKWDCK-GMSGAONNSA-N -1 0 310.354 -0.323 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])[C@@H]1C ZINC001395835059 998792019 /nfs/dbraw/zinc/79/20/19/998792019.db2.gz AKPIKGVKMXDSRD-SCZZXKLOSA-N -1 0 323.353 -0.721 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2cnc[nH]c2=O)C1 ZINC001395866771 998797083 /nfs/dbraw/zinc/79/70/83/998797083.db2.gz HPJJJWCWPJJKJJ-PSASIEDQSA-N -1 0 321.337 -0.963 20 0 DBADRM COC[C@H](C)N1CC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001494409779 1016254763 /nfs/dbraw/zinc/25/47/63/1016254763.db2.gz BWUURMVRQGMGRX-VIFPVBQESA-N -1 0 313.358 -0.695 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)[C@H](C)CC(N)=O)CC2)c1[O-] ZINC001396717110 998888607 /nfs/dbraw/zinc/88/86/07/998888607.db2.gz JFZZXZXCENCXOU-MRVPVSSYSA-N -1 0 323.353 -0.780 20 0 DBADRM CCON(C)C(=O)CNc1cc(C)nc2nc(C(=O)[O-])nn21 ZINC001596964532 1017183920 /nfs/dbraw/zinc/18/39/20/1017183920.db2.gz XDAQSUVMUKAQIL-UHFFFAOYSA-N -1 0 308.298 -0.047 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001396985789 998937137 /nfs/dbraw/zinc/93/71/37/998937137.db2.gz YEYNHEATRFMZMG-JTQLQIEISA-N -1 0 323.353 -0.816 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001397114766 998965238 /nfs/dbraw/zinc/96/52/38/998965238.db2.gz ZOSJZUFAVJIMTF-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001397247312 999001078 /nfs/dbraw/zinc/00/10/78/999001078.db2.gz PUVBXBZSVBSZEG-UJNFCWOMSA-N -1 0 323.353 -0.675 20 0 DBADRM CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001397309004 999010626 /nfs/dbraw/zinc/01/06/26/999010626.db2.gz YNOWJONNTAEWLM-SECBINFHSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397446894 999051386 /nfs/dbraw/zinc/05/13/86/999051386.db2.gz MPEDGSBAIPDOSJ-FKTZTGRPSA-N -1 0 323.353 -0.644 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001397514608 999068914 /nfs/dbraw/zinc/06/89/14/999068914.db2.gz IYUKJPYBQKSMED-UJNFCWOMSA-N -1 0 323.353 -0.644 20 0 DBADRM CC[C@@H](C)CC(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397518322 999069639 /nfs/dbraw/zinc/06/96/39/999069639.db2.gz OIOWDELIORJEQA-RKDXNWHRSA-N -1 0 313.358 -0.254 20 0 DBADRM CC[C@@H](C)CC(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397521430 999070877 /nfs/dbraw/zinc/07/08/77/999070877.db2.gz NCRKQOTYINWFME-HTQZYQBOSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@H](CNC(=O)C[C@@H]1CCCC(=O)N1)NC(=O)c1cn[nH]n1 ZINC001397526538 999071726 /nfs/dbraw/zinc/07/17/26/999071726.db2.gz MVTQBFXBBHWOIQ-BDAKNGLRSA-N -1 0 308.342 -0.902 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC(F)(F)F ZINC001397529604 999073050 /nfs/dbraw/zinc/07/30/50/999073050.db2.gz ZERYNDFPSNEULO-BYPYZUCNSA-N -1 0 323.231 -0.530 20 0 DBADRM COCCn1cc(C(=O)NC[C@@H](C)NC(=O)c2cn[nH]n2)cn1 ZINC001397534727 999073839 /nfs/dbraw/zinc/07/38/39/999073839.db2.gz RQZSQMWYBVUBHT-SECBINFHSA-N -1 0 321.341 -0.804 20 0 DBADRM CS[C@H](C)C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397871748 999154240 /nfs/dbraw/zinc/15/42/40/999154240.db2.gz AHPAROBPCBTYED-SSDOTTSWSA-N -1 0 317.371 -0.985 20 0 DBADRM CS[C@@H](C)C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397871756 999154301 /nfs/dbraw/zinc/15/43/01/999154301.db2.gz AHPAROBPCBTYED-ZETCQYMHSA-N -1 0 317.371 -0.985 20 0 DBADRM CCC[C@@H](C)C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397885051 999159961 /nfs/dbraw/zinc/15/99/61/999159961.db2.gz OQTRDZHCZXFJQT-SECBINFHSA-N -1 0 313.358 -0.300 20 0 DBADRM CCNC(=O)CCCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001494483593 1016290550 /nfs/dbraw/zinc/29/05/50/1016290550.db2.gz TVVRRTVLRODHMT-UHFFFAOYSA-N -1 0 310.358 -0.883 20 0 DBADRM O=C(NCCN(C(=O)C(F)F)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001398350944 999256105 /nfs/dbraw/zinc/25/61/05/999256105.db2.gz JXCDEIFEGHJPCF-UHFFFAOYSA-N -1 0 317.252 -0.731 20 0 DBADRM CCOCCO[C@@H](C)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001494501120 1016298264 /nfs/dbraw/zinc/29/82/64/1016298264.db2.gz BDIHVKKLOWYCSP-VIFPVBQESA-N -1 0 313.358 -0.748 20 0 DBADRM CCOCCO[C@H](C)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001494501118 1016298347 /nfs/dbraw/zinc/29/83/47/1016298347.db2.gz BDIHVKKLOWYCSP-SECBINFHSA-N -1 0 313.358 -0.748 20 0 DBADRM CC[C@@H](F)C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001398796513 999358220 /nfs/dbraw/zinc/35/82/20/999358220.db2.gz BWGYYOGPVGDDQS-SSDOTTSWSA-N -1 0 313.289 -0.781 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H](CC)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001399030218 999397446 /nfs/dbraw/zinc/39/74/46/999397446.db2.gz KOTVABOPPGVDJF-IUCAKERBSA-N -1 0 313.358 -0.254 20 0 DBADRM O=C(Cc1cccnc1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001494544533 1016313829 /nfs/dbraw/zinc/31/38/29/1016313829.db2.gz YELFVMYSNNQQCI-UHFFFAOYSA-N -1 0 302.338 -0.304 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)c2cnn(C)c2)c1[O-] ZINC001399329192 999412270 /nfs/dbraw/zinc/41/22/70/999412270.db2.gz PKSSHYQCRSRDOW-MRVPVSSYSA-N -1 0 320.353 -0.047 20 0 DBADRM CCc1nn(C)cc1C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001399494271 999436873 /nfs/dbraw/zinc/43/68/73/999436873.db2.gz HTOYPSLFLZLZMZ-UHFFFAOYSA-N -1 0 307.358 -0.332 20 0 DBADRM Cc1cc(C)n(CCC(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001399559596 999444916 /nfs/dbraw/zinc/44/49/16/999444916.db2.gz YGCGCMFBDIHKGO-UHFFFAOYSA-N -1 0 321.385 -0.038 20 0 DBADRM CN(CCNC(=O)c1cn(C)nc1Cl)Cc1n[nH]c(=O)[n-]1 ZINC001399644516 999457729 /nfs/dbraw/zinc/45/77/29/999457729.db2.gz RAMWFBCOJKSOIC-UHFFFAOYSA-N -1 0 313.749 -0.241 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC001399683540 999463866 /nfs/dbraw/zinc/46/38/66/999463866.db2.gz WFOMLSRFJXRBTA-VIFPVBQESA-N -1 0 323.353 -0.767 20 0 DBADRM CCN(CCNC(=O)[C@@H]1CC(=O)N(CC)C1)Cc1n[nH]c(=O)[n-]1 ZINC001399716021 999468755 /nfs/dbraw/zinc/46/87/55/999468755.db2.gz UQYAEHLBMMBKGD-SNVBAGLBSA-N -1 0 324.385 -0.683 20 0 DBADRM O=C(Cc1ncc[nH]1)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001399870112 999510336 /nfs/dbraw/zinc/51/03/36/999510336.db2.gz GVNAGYMLJUYYEJ-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM CC(C)CC(=O)N[C@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001399892562 999516659 /nfs/dbraw/zinc/51/66/59/999516659.db2.gz QJRLGZURDAVOPL-SECBINFHSA-N -1 0 310.354 -0.234 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)c1ccoc1 ZINC001399904329 999520551 /nfs/dbraw/zinc/52/05/51/999520551.db2.gz UOTLSQCESXSITO-MRVPVSSYSA-N -1 0 320.305 -0.373 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1(C)CCC1 ZINC001400042939 999551240 /nfs/dbraw/zinc/55/12/40/999551240.db2.gz IPAVRZPZMYRUHX-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM Cc1noc(CCC(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001494575171 1016329568 /nfs/dbraw/zinc/32/95/68/1016329568.db2.gz AGAIQOLYVTUUGL-UHFFFAOYSA-N -1 0 321.341 -0.617 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001597223849 1017190608 /nfs/dbraw/zinc/19/06/08/1017190608.db2.gz AZAYMFFHEIWUSP-QMMMGPOBSA-N -1 0 315.351 -0.025 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001597223990 1017191525 /nfs/dbraw/zinc/19/15/25/1017191525.db2.gz GEBIPZYNTQZWBP-IUCAKERBSA-N -1 0 308.356 -0.984 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001597224227 1017190846 /nfs/dbraw/zinc/19/08/46/1017190846.db2.gz OMHKUBAAGFYWBO-CABZTGNLSA-N -1 0 322.383 -0.546 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001597223988 1017190934 /nfs/dbraw/zinc/19/09/34/1017190934.db2.gz GEBIPZYNTQZWBP-BDAKNGLRSA-N -1 0 308.356 -0.984 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H]2C(=O)[O-])C1 ZINC001597219230 1017190951 /nfs/dbraw/zinc/19/09/51/1017190951.db2.gz KPXGAYONVVFIQM-UWVGGRQHSA-N -1 0 304.368 -0.266 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)O[C@@H](COC)C(=O)[O-])CC1 ZINC001597218841 1017191791 /nfs/dbraw/zinc/19/17/91/1017191791.db2.gz CLMCMGPRXKIAMD-JTQLQIEISA-N -1 0 323.367 -0.309 20 0 DBADRM CCS(=O)(=O)NCC(=O)Nc1cccc(C(=O)[O-])c1N ZINC001597225766 1017193130 /nfs/dbraw/zinc/19/31/30/1017193130.db2.gz VPWWPIKGVNDTAM-UHFFFAOYSA-N -1 0 301.324 -0.155 20 0 DBADRM CCS(=O)(=O)NCCCSC[C@H](NC(C)=O)C(=O)[O-] ZINC001597225207 1017193362 /nfs/dbraw/zinc/19/33/62/1017193362.db2.gz MDOQREVKGQBEGW-VIFPVBQESA-N -1 0 312.413 -0.362 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001597224918 1017193969 /nfs/dbraw/zinc/19/39/69/1017193969.db2.gz JYDMCCDVWAOBTC-LLVKDONJSA-N -1 0 316.335 -0.427 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001597224920 1017194037 /nfs/dbraw/zinc/19/40/37/1017194037.db2.gz JYDMCCDVWAOBTC-NSHDSACASA-N -1 0 316.335 -0.427 20 0 DBADRM CCS(=O)(=O)NCCCOC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001597224820 1017194140 /nfs/dbraw/zinc/19/41/40/1017194140.db2.gz CBUFWPIXHWEOMH-BDAKNGLRSA-N -1 0 309.340 -0.509 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC001597225220 1017194183 /nfs/dbraw/zinc/19/41/83/1017194183.db2.gz OFQFDEGOWDJCBN-ATZCPNFKSA-N -1 0 304.368 -0.363 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001591036238 1016373740 /nfs/dbraw/zinc/37/37/40/1016373740.db2.gz RIDBJAQJTNCZHU-SECBINFHSA-N -1 0 318.355 -0.369 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001591036036 1016373910 /nfs/dbraw/zinc/37/39/10/1016373910.db2.gz OWPMROLIWDMWDJ-SKDRFNHKSA-N -1 0 322.383 -0.832 20 0 DBADRM CN(CCC1CC1)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001591064930 1016380522 /nfs/dbraw/zinc/38/05/22/1016380522.db2.gz ZGUDCWXVAJBXFO-UHFFFAOYSA-N -1 0 319.325 -0.613 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C)CC(=O)[O-] ZINC001591109244 1016391759 /nfs/dbraw/zinc/39/17/59/1016391759.db2.gz ZEVGSALVXZWOSE-RKDXNWHRSA-N -1 0 301.343 -0.628 20 0 DBADRM CC(C)C[C@@H](C(=O)[O-])N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001591120800 1016392557 /nfs/dbraw/zinc/39/25/57/1016392557.db2.gz ONUVXKLHNCKJGL-QWRGUYRKSA-N -1 0 320.411 -0.279 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)CNC(=O)C2CC2)c1[O-] ZINC001408528247 1000208631 /nfs/dbraw/zinc/20/86/31/1000208631.db2.gz BDZCSXYAOXLTBN-UHFFFAOYSA-N -1 0 323.353 -0.862 20 0 DBADRM CCn1ncc(C(=O)N(C)CCNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001408549538 1000219734 /nfs/dbraw/zinc/21/97/34/1000219734.db2.gz NZUNCFVOKHGVRD-UHFFFAOYSA-N -1 0 321.341 -0.463 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@@H](C)n2cncn2)c1[O-] ZINC001408549626 1000219815 /nfs/dbraw/zinc/21/98/15/1000219815.db2.gz QFMPUOWMBIDMKF-SECBINFHSA-N -1 0 321.341 -0.535 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)Cc2ncc[nH]2)c1[O-] ZINC001408549804 1000220464 /nfs/dbraw/zinc/22/04/64/1000220464.db2.gz VVDBWSDPXPGNHR-UHFFFAOYSA-N -1 0 306.326 -0.422 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)NCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001408567846 1000228880 /nfs/dbraw/zinc/22/88/80/1000228880.db2.gz JPYKRJSGBZRIAA-DTWKUNHWSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)NCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001408567848 1000229022 /nfs/dbraw/zinc/22/90/22/1000229022.db2.gz JPYKRJSGBZRIAA-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM CCOCC(=O)N(C)CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001408573966 1000230921 /nfs/dbraw/zinc/23/09/21/1000230921.db2.gz YVBPKOANIRLIJG-UHFFFAOYSA-N -1 0 321.337 -0.753 20 0 DBADRM CC(C)C[C@@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)[O-] ZINC001591149155 1016395772 /nfs/dbraw/zinc/39/57/72/1016395772.db2.gz CVFAZHUPMXYQDQ-JTQLQIEISA-N -1 0 323.415 -0.412 20 0 DBADRM CN(Cc1ncc[nH]1)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591153049 1016396629 /nfs/dbraw/zinc/39/66/29/1016396629.db2.gz SMWIXNFJWKVXKG-UHFFFAOYSA-N -1 0 317.317 -0.977 20 0 DBADRM Cn1ccc(CC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001420838026 1000262568 /nfs/dbraw/zinc/26/25/68/1000262568.db2.gz WOKIRPNNMMNFBJ-SNVBAGLBSA-N -1 0 305.342 -0.823 20 0 DBADRM CN(Cc1ccsc1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591150051 1016398662 /nfs/dbraw/zinc/39/86/62/1016398662.db2.gz KBWYODSQDWRUDN-UHFFFAOYSA-N -1 0 319.350 -0.048 20 0 DBADRM O=C(Cc1ncccc1F)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001420862861 1000270838 /nfs/dbraw/zinc/27/08/38/1000270838.db2.gz NXWKVINQTSGGMB-SECBINFHSA-N -1 0 320.328 -0.022 20 0 DBADRM CN(c1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)C1CC(O)C1 ZINC001591156747 1016399472 /nfs/dbraw/zinc/39/94/72/1016399472.db2.gz NPZXGAABYZMQMK-UHFFFAOYSA-N -1 0 324.366 -0.526 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)Cc2c[nH]cn2)c1[O-] ZINC001408705264 1000277450 /nfs/dbraw/zinc/27/74/50/1000277450.db2.gz WKDGLAZARQPPRY-UHFFFAOYSA-N -1 0 306.326 -0.422 20 0 DBADRM O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)NCc1nc(=O)o[n-]1 ZINC001420896637 1000283774 /nfs/dbraw/zinc/28/37/74/1000283774.db2.gz OGLFKJSTQYUPAW-IUCAKERBSA-N -1 0 313.310 -0.320 20 0 DBADRM O=C(CC[C@@H]1CC[C@H](C2OCCO2)O1)NCc1nc(=O)o[n-]1 ZINC001420896633 1000284889 /nfs/dbraw/zinc/28/48/89/1000284889.db2.gz OGLFKJSTQYUPAW-DTWKUNHWSA-N -1 0 313.310 -0.320 20 0 DBADRM Cc1nnsc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001420910777 1000290478 /nfs/dbraw/zinc/29/04/78/1000290478.db2.gz IZARBDUCUYBTQK-UHFFFAOYSA-N -1 0 309.355 -0.278 20 0 DBADRM CN(C[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]2)C1)S(C)(=O)=O ZINC001420932506 1000298968 /nfs/dbraw/zinc/29/89/68/1000298968.db2.gz RUCNNSWKOYJTPI-MRVPVSSYSA-N -1 0 317.371 -0.746 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN(C)C[C@@H]1COCCO1)C(=O)[O-] ZINC001591161956 1016402101 /nfs/dbraw/zinc/40/21/01/1016402101.db2.gz PUMLBTPLIFOJBH-VXGBXAGGSA-N -1 0 302.371 -0.051 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001591163547 1016402659 /nfs/dbraw/zinc/40/26/59/1016402659.db2.gz MOEOBTMMRZIMKJ-SNVBAGLBSA-N -1 0 302.294 -0.103 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]2)CCN1C(=O)c1cscn1 ZINC001420965260 1000314460 /nfs/dbraw/zinc/31/44/60/1000314460.db2.gz QIJGLJVIMTWNED-ZETCQYMHSA-N -1 0 322.350 -0.047 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)CN1CCCC1=O)C(=O)[O-] ZINC001591172054 1016404322 /nfs/dbraw/zinc/40/43/22/1016404322.db2.gz XAJNMUPZQYZGNQ-SNVBAGLBSA-N -1 0 314.338 -0.233 20 0 DBADRM COCCC(=O)NC1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001409023751 1000330235 /nfs/dbraw/zinc/33/02/35/1000330235.db2.gz KPOIJIDYLUNIOW-UHFFFAOYSA-N -1 0 320.305 -0.095 20 0 DBADRM CCC(C)(C)C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001409100750 1000363212 /nfs/dbraw/zinc/36/32/12/1000363212.db2.gz ZAMIWYFSAQVDSJ-UHFFFAOYSA-N -1 0 322.365 -0.137 20 0 DBADRM CO[C@H](C)C(=O)NCC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001421111232 1000368253 /nfs/dbraw/zinc/36/82/53/1000368253.db2.gz JFUALRVVGCBYPW-SNVBAGLBSA-N -1 0 319.365 -0.395 20 0 DBADRM O=C(COC[C@@H]1CCCO1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421116392 1000371485 /nfs/dbraw/zinc/37/14/85/1000371485.db2.gz OCIROGVVKFVHPW-JTQLQIEISA-N -1 0 311.342 -0.994 20 0 DBADRM CN1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CC1=O ZINC001591180288 1016408151 /nfs/dbraw/zinc/40/81/51/1016408151.db2.gz ISBLRCKAWGCDEU-VIFPVBQESA-N -1 0 316.321 -0.077 20 0 DBADRM O=C(CCC1CC1)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001409131594 1000376131 /nfs/dbraw/zinc/37/61/31/1000376131.db2.gz XQZKXUJURSASKA-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM CC(C)C[C@H](NC(=O)Cn1nnc(-c2ccncn2)n1)C(=O)[O-] ZINC001591177783 1016408806 /nfs/dbraw/zinc/40/88/06/1016408806.db2.gz LPQCSRHBESFNMV-JTQLQIEISA-N -1 0 319.325 -0.254 20 0 DBADRM Cc1cc(CCC(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001421157255 1000389262 /nfs/dbraw/zinc/38/92/62/1000389262.db2.gz RSUAKDYXINPHND-UHFFFAOYSA-N -1 0 320.353 -0.012 20 0 DBADRM CC(C)C[C@@H](NC(=O)Cn1cc(S(C)(=O)=O)cn1)C(=O)[O-] ZINC001591177147 1016409280 /nfs/dbraw/zinc/40/92/80/1016409280.db2.gz BYIFEPAGLSLKOJ-SNVBAGLBSA-N -1 0 317.367 -0.098 20 0 DBADRM CN(Cn1cccc(-c2nnn[n-]2)c1=O)[C@@H]1CCN(C)C1=O ZINC001591179361 1016409366 /nfs/dbraw/zinc/40/93/66/1016409366.db2.gz LOZKRCJWQJWIQI-SNVBAGLBSA-N -1 0 303.326 -0.852 20 0 DBADRM Cc1nc[nH]c1CC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421181232 1000394805 /nfs/dbraw/zinc/39/48/05/1000394805.db2.gz XIZYQENJLCUGCF-UHFFFAOYSA-N -1 0 305.342 -0.667 20 0 DBADRM C[C@]1(NC(=O)CC2(O)CCC2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421194993 1000401768 /nfs/dbraw/zinc/40/17/68/1000401768.db2.gz SMHIKTWBABYIJS-ZDUSSCGKSA-N -1 0 309.370 -0.104 20 0 DBADRM CC[C@H](CNC(=O)CNC(C)=O)NC(=O)c1[nH]nc(C)c1[O-] ZINC001409224029 1000401862 /nfs/dbraw/zinc/40/18/62/1000401862.db2.gz UFQOOUXJMDGKBD-SECBINFHSA-N -1 0 311.342 -0.816 20 0 DBADRM CC[C@H](CNC(=O)CC(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001409224847 1000403377 /nfs/dbraw/zinc/40/33/77/1000403377.db2.gz MMMHSAVELXUSBK-SECBINFHSA-N -1 0 313.358 -0.254 20 0 DBADRM CN1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CC1=O ZINC001591180287 1016410837 /nfs/dbraw/zinc/41/08/37/1016410837.db2.gz ISBLRCKAWGCDEU-SECBINFHSA-N -1 0 316.321 -0.077 20 0 DBADRM COC[C@@H](C)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001421217480 1000411133 /nfs/dbraw/zinc/41/11/33/1000411133.db2.gz OQLZVJZBOSAQSK-DCAQKATOSA-N -1 0 309.370 -0.032 20 0 DBADRM CC[C@H](CNC(=O)C1CC(C)C1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001409254849 1000411125 /nfs/dbraw/zinc/41/11/25/1000411125.db2.gz KCWFHYKRHMAYHC-AMDVSUOASA-N -1 0 323.353 -0.047 20 0 DBADRM Cn1cncc1CC(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421230166 1000417902 /nfs/dbraw/zinc/41/79/02/1000417902.db2.gz VYPGRWFUOKLUQP-CQSZACIVSA-N -1 0 319.369 -0.433 20 0 DBADRM CC(C)C[C@H](O)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001591183077 1016412738 /nfs/dbraw/zinc/41/27/38/1016412738.db2.gz DOWZMJFXQOFZPT-WDEREUQCSA-N -1 0 300.355 -0.167 20 0 DBADRM COCC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCC1(F)F ZINC001421320284 1000440251 /nfs/dbraw/zinc/44/02/51/1000440251.db2.gz OUFLYLLWIUKPPV-QMMMGPOBSA-N -1 0 319.312 -0.270 20 0 DBADRM CN1CCN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CC1=O ZINC001591190107 1016413119 /nfs/dbraw/zinc/41/31/19/1016413119.db2.gz JOWADCBZXHFYHQ-UHFFFAOYSA-N -1 0 302.294 -0.514 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C/C=C\Cl ZINC001409659335 1000500821 /nfs/dbraw/zinc/50/08/21/1000500821.db2.gz RAOWMUYIAKVVRN-VEMNSZJBSA-N -1 0 303.750 -0.122 20 0 DBADRM CO[C@H](C)CN1CC(CCO)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001409706736 1000514870 /nfs/dbraw/zinc/51/48/70/1000514870.db2.gz HQZWDXVLZDKYCZ-SECBINFHSA-N -1 0 312.370 -0.375 20 0 DBADRM CC1(C)CC[C@@H](C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001421488652 1000530290 /nfs/dbraw/zinc/53/02/90/1000530290.db2.gz SOVUARYGKVVQAE-SNVBAGLBSA-N -1 0 323.397 -0.001 20 0 DBADRM Cc1cc(=O)c(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)c[nH]1 ZINC001409766616 1000533472 /nfs/dbraw/zinc/53/34/72/1000533472.db2.gz UYDRTYGHLRSKCI-VIFPVBQESA-N -1 0 320.353 -0.243 20 0 DBADRM CC(C)C[C@H]1C(=O)NCCN1C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001591197809 1016422150 /nfs/dbraw/zinc/42/21/50/1016422150.db2.gz PPIAXAPHWJJBKE-NSHDSACASA-N -1 0 308.338 -0.046 20 0 DBADRM COC[C@@H](C)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001421695371 1000593867 /nfs/dbraw/zinc/59/38/67/1000593867.db2.gz URHDGYNCHGHKJH-NXEZZACHSA-N -1 0 313.358 -0.890 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001421695319 1000594637 /nfs/dbraw/zinc/59/46/37/1000594637.db2.gz SRGWEPANODRAHN-NXEZZACHSA-N -1 0 313.358 -0.748 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001421713169 1000601803 /nfs/dbraw/zinc/60/18/03/1000601803.db2.gz HROXQPUJZFZPKL-NMLBEHRDSA-N -1 0 317.353 -0.914 20 0 DBADRM CC(C)C[C@@H]1C(=O)NCCN1S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001591205526 1016426361 /nfs/dbraw/zinc/42/63/61/1016426361.db2.gz JLAWNXVGSOMPPB-VHSXEESVSA-N -1 0 306.384 -0.117 20 0 DBADRM CNC(=O)CCCN(C)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591207229 1016427103 /nfs/dbraw/zinc/42/71/03/1016427103.db2.gz WTKRIBASAVZEQI-MRVPVSSYSA-N -1 0 321.345 -0.996 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CC12CCC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001410267749 1000703157 /nfs/dbraw/zinc/70/31/57/1000703157.db2.gz SVISYOHUVLSRQA-BDAKNGLRSA-N -1 0 323.353 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@@]2(C)CNC(=O)C2)c1[O-] ZINC001410342415 1000728233 /nfs/dbraw/zinc/72/82/33/1000728233.db2.gz CJIMFMLGRNESON-JKYUHCHBSA-N -1 0 323.353 -0.816 20 0 DBADRM CN(CCN(C)C(=O)c1cn(C)c(=O)[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001422200898 1000764071 /nfs/dbraw/zinc/76/40/71/1000764071.db2.gz SITOBVABQORNMF-UHFFFAOYSA-N -1 0 309.330 -0.847 20 0 DBADRM CNC(=O)CN1CCCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC001422285856 1000804768 /nfs/dbraw/zinc/80/47/68/1000804768.db2.gz XXJQGTRSPCQUEG-UHFFFAOYSA-N -1 0 318.381 -0.724 20 0 DBADRM COC(=O)/C(C)=C\COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591230043 1016441626 /nfs/dbraw/zinc/44/16/26/1016441626.db2.gz YINAZIGARVSDQS-NZGHECTNSA-N -1 0 321.297 -0.318 20 0 DBADRM COC(=O)C(C)(C)CCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001591226247 1016441720 /nfs/dbraw/zinc/44/17/20/1016441720.db2.gz RECUAUBGLFWMJI-UHFFFAOYSA-N -1 0 322.329 -0.836 20 0 DBADRM O=C(C[C@@H]1CCCCO1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001410582681 1000817427 /nfs/dbraw/zinc/81/74/27/1000817427.db2.gz ACLXHPDFLQIYKT-UWVGGRQHSA-N -1 0 313.358 -0.964 20 0 DBADRM CCC(=O)NCC1(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001410630109 1000835465 /nfs/dbraw/zinc/83/54/65/1000835465.db2.gz CTKXCHAFFOHPOT-UHFFFAOYSA-N -1 0 309.326 -0.610 20 0 DBADRM CC(C)CCNC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001591246721 1016447315 /nfs/dbraw/zinc/44/73/15/1016447315.db2.gz YWKBLKAVWXFIAE-SNVBAGLBSA-N -1 0 323.353 -0.088 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3cn(C)cn3)CC2)c1[O-] ZINC001410702979 1000866899 /nfs/dbraw/zinc/86/68/99/1000866899.db2.gz FGAOCOWVVREVLL-UHFFFAOYSA-N -1 0 318.337 -0.150 20 0 DBADRM CCn1ccc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)c1C ZINC001410718888 1000874396 /nfs/dbraw/zinc/87/43/96/1000874396.db2.gz BXTPPAUIZSHNHJ-JTQLQIEISA-N -1 0 322.369 -0.479 20 0 DBADRM CC(F)(F)C(C)(C)C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001410786359 1000904775 /nfs/dbraw/zinc/90/47/75/1000904775.db2.gz VTKWZGAPPGAMCX-ZETCQYMHSA-N -1 0 321.328 -0.242 20 0 DBADRM CCn1nc(C)c(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001422597321 1000927231 /nfs/dbraw/zinc/92/72/31/1000927231.db2.gz DXXCYCBGIGIYHO-QMMMGPOBSA-N -1 0 322.373 -0.320 20 0 DBADRM COC(=O)[C@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)o2)CN1C ZINC001591247370 1016451226 /nfs/dbraw/zinc/45/12/26/1016451226.db2.gz BMEGADDSILJIRP-JGVFFNPUSA-N -1 0 321.293 -0.138 20 0 DBADRM COC(=O)CN(C)S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001591266512 1016457601 /nfs/dbraw/zinc/45/76/01/1016457601.db2.gz NDSYETCODRFGAF-UHFFFAOYSA-N -1 0 317.352 -0.278 20 0 DBADRM CCO[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001422802461 1001014883 /nfs/dbraw/zinc/01/48/83/1001014883.db2.gz AGIJOOPKRRFQNO-DBIOUOCHSA-N -1 0 309.370 -0.271 20 0 DBADRM O=C(Cn1cccn1)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001422810882 1001017762 /nfs/dbraw/zinc/01/77/62/1001017762.db2.gz HQBZXLQLEAHRNS-RTCCRHLQSA-N -1 0 317.353 -0.799 20 0 DBADRM Cc1nnccc1C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001422836017 1001027931 /nfs/dbraw/zinc/02/79/31/1001027931.db2.gz PPLKYRCXYBCPFY-MRVPVSSYSA-N -1 0 305.342 -0.141 20 0 DBADRM Cc1ncoc1CN(C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001422837704 1001028769 /nfs/dbraw/zinc/02/87/69/1001028769.db2.gz RSJVFJBXRYRSEX-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM CO[C@H](C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1CC1 ZINC001422853895 1001035861 /nfs/dbraw/zinc/03/58/61/1001035861.db2.gz XZFSAQBHAPHKAE-KQXIARHKSA-N -1 0 321.381 -0.271 20 0 DBADRM Cc1coc(C(=O)N(C)C[C@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)c1 ZINC001411178401 1001060892 /nfs/dbraw/zinc/06/08/92/1001060892.db2.gz IGKRXTNJCMBZNY-SNVBAGLBSA-N -1 0 323.353 -0.023 20 0 DBADRM COC(=O)C[C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591268072 1016461871 /nfs/dbraw/zinc/46/18/71/1016461871.db2.gz ABUIOSNPSOITHZ-RXMQYKEDSA-N -1 0 309.286 -0.971 20 0 DBADRM C[C@H](NC(=O)CC1CC1)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001411337207 1001100562 /nfs/dbraw/zinc/10/05/62/1001100562.db2.gz BQQKPWBGMASDCQ-YUMQZZPRSA-N -1 0 311.342 -0.501 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)Cn2cccn2)c1[O-] ZINC001411346736 1001102428 /nfs/dbraw/zinc/10/24/28/1001102428.db2.gz BOSUICNKHMCGRD-BDAKNGLRSA-N -1 0 320.353 -0.057 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NC(=O)Cn2cccn2)c1[O-] ZINC001411346744 1001102680 /nfs/dbraw/zinc/10/26/80/1001102680.db2.gz BOSUICNKHMCGRD-DTWKUNHWSA-N -1 0 320.353 -0.057 20 0 DBADRM CCn1[n-]nnc1=NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001411377570 1001111615 /nfs/dbraw/zinc/11/16/15/1001111615.db2.gz UTZNRJUGWCOPRV-UHFFFAOYSA-N -1 0 324.366 -0.383 20 0 DBADRM CCOc1cncc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001411459706 1001128999 /nfs/dbraw/zinc/12/89/99/1001128999.db2.gz IOOSFTGXEWIWIN-UHFFFAOYSA-N -1 0 315.293 -0.101 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N(C)c2nnn[n-]2)cc1 ZINC001411474862 1001133100 /nfs/dbraw/zinc/13/31/00/1001133100.db2.gz BYRMXOPMLBRYMB-UHFFFAOYSA-N -1 0 310.339 -0.273 20 0 DBADRM CC(C)CN(CC(=O)[O-])C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC001591294618 1016472134 /nfs/dbraw/zinc/47/21/34/1016472134.db2.gz PFSRIJUFIFOKMI-LLVKDONJSA-N -1 0 320.411 -0.326 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CCC2OCCO2)c1 ZINC001591286665 1016472421 /nfs/dbraw/zinc/47/24/21/1016472421.db2.gz OTXFJEZRBCRBNV-UHFFFAOYSA-N -1 0 321.293 -0.422 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001411520198 1001147595 /nfs/dbraw/zinc/14/75/95/1001147595.db2.gz CBBSVXXCOIHEQJ-JTQLQIEISA-N -1 0 321.337 -0.225 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H](C)c2nnnn2C)cc1=O ZINC001411569190 1001165233 /nfs/dbraw/zinc/16/52/33/1001165233.db2.gz CQHQQEFTWADEEW-VIFPVBQESA-N -1 0 307.358 -0.224 20 0 DBADRM COC1(CC(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)CCC1 ZINC001423215043 1001178462 /nfs/dbraw/zinc/17/84/62/1001178462.db2.gz SVVRCYVVFJLAQH-SECBINFHSA-N -1 0 313.358 -0.964 20 0 DBADRM CC/C=C(/C)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001494890321 1016470502 /nfs/dbraw/zinc/47/05/02/1016470502.db2.gz DQCGLVNKVBACFE-TVSKSKRASA-N -1 0 309.326 -0.126 20 0 DBADRM CCOC(=O)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001411664672 1001193050 /nfs/dbraw/zinc/19/30/50/1001193050.db2.gz GQTOOAXCZGASOV-UHFFFAOYSA-N -1 0 306.278 -0.441 20 0 DBADRM COC(=O)N1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001411667718 1001194408 /nfs/dbraw/zinc/19/44/08/1001194408.db2.gz OWYUUTGOJGABRX-UHFFFAOYSA-N -1 0 313.314 -0.620 20 0 DBADRM O=C(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC1CCCCC1 ZINC001411670718 1001194501 /nfs/dbraw/zinc/19/45/01/1001194501.db2.gz QTYYSSXELFOJRG-UHFFFAOYSA-N -1 0 311.342 -0.356 20 0 DBADRM Cc1cnc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)cc1C ZINC001423249390 1001204983 /nfs/dbraw/zinc/20/49/83/1001204983.db2.gz XPDIDAXELXZXKW-SNVBAGLBSA-N -1 0 320.353 -0.597 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001591290122 1016471570 /nfs/dbraw/zinc/47/15/70/1016471570.db2.gz WUYORQANVRXNDX-VIFPVBQESA-N -1 0 310.372 -0.375 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cn(CCO)nc1C1CCOCC1 ZINC001411754337 1001215180 /nfs/dbraw/zinc/21/51/80/1001215180.db2.gz QNUPFQYFEOZHHA-UHFFFAOYSA-N -1 0 321.341 -0.788 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001591314832 1016475379 /nfs/dbraw/zinc/47/53/79/1016475379.db2.gz CFXXPOBORQDNNC-WDEREUQCSA-N -1 0 317.305 -0.450 20 0 DBADRM O=C(Cc1cnn2c1CCCC2)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001411774912 1001222065 /nfs/dbraw/zinc/22/20/65/1001222065.db2.gz KUFKCGZXBJWTTC-GFCCVEGCSA-N -1 0 317.353 -0.125 20 0 DBADRM O=C([C@@H]1CCn2ccnc2C1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001411778693 1001223422 /nfs/dbraw/zinc/22/34/22/1001223422.db2.gz POJREZDLPLBMLU-NXEZZACHSA-N -1 0 303.326 -0.441 20 0 DBADRM CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001591319916 1016475552 /nfs/dbraw/zinc/47/55/52/1016475552.db2.gz MGUSGUODKPACOM-LURJTMIESA-N -1 0 312.311 -0.899 20 0 DBADRM CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001591319787 1016475907 /nfs/dbraw/zinc/47/59/07/1016475907.db2.gz HHKGIFOXHRLNHD-ZETCQYMHSA-N -1 0 311.323 -0.294 20 0 DBADRM COC[C@](C)(CC(=O)OC)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001411850544 1001235917 /nfs/dbraw/zinc/23/59/17/1001235917.db2.gz SSFKCFFFGDYYNL-NSHDSACASA-N -1 0 318.355 -0.313 20 0 DBADRM CO[C@@H](C)[C@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001591324083 1016477167 /nfs/dbraw/zinc/47/71/67/1016477167.db2.gz JFZRBRFHOFUPFJ-BQBZGAKWSA-N -1 0 309.330 -0.901 20 0 DBADRM CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001591320132 1016477406 /nfs/dbraw/zinc/47/74/06/1016477406.db2.gz TYVWDVMGOBSCAF-ZETCQYMHSA-N -1 0 311.323 -0.294 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCc1nnn(C)n1 ZINC001597785188 1017206778 /nfs/dbraw/zinc/20/67/78/1017206778.db2.gz BVRMCWDROWPEGE-UHFFFAOYSA-N -1 0 315.311 -0.458 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1CCc2c[nH]nc2C1 ZINC001411918529 1001249790 /nfs/dbraw/zinc/24/97/90/1001249790.db2.gz XHQXMZKPPOUOIU-VIFPVBQESA-N -1 0 306.326 -0.134 20 0 DBADRM NC(=O)C1(NC(=O)c2nc[n-]c(=O)c2Br)CC1 ZINC001411917033 1001249911 /nfs/dbraw/zinc/24/99/11/1001249911.db2.gz SKUAIANHERAJMP-UHFFFAOYSA-N -1 0 301.100 -0.308 20 0 DBADRM O=C(NCC1(CO)COC1)c1nc[n-]c(=O)c1Br ZINC001411932921 1001254099 /nfs/dbraw/zinc/25/40/99/1001254099.db2.gz AESLOCOIXCDFED-UHFFFAOYSA-N -1 0 318.127 -0.317 20 0 DBADRM CCN(CCS(C)(=O)=O)C(=O)c1c[n-]n2c1nccc2=O ZINC001411939698 1001258039 /nfs/dbraw/zinc/25/80/39/1001258039.db2.gz OUJYMOQTFVVRGG-UHFFFAOYSA-N -1 0 312.351 -0.471 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001591323342 1016478572 /nfs/dbraw/zinc/47/85/72/1016478572.db2.gz XPHZBHYILZKOOI-ZCFIWIBFSA-N -1 0 315.311 -0.446 20 0 DBADRM CO[C@@H](C)CCNS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591321436 1016479167 /nfs/dbraw/zinc/47/91/67/1016479167.db2.gz BFXUAFLQFMLNFU-QMMMGPOBSA-N -1 0 312.355 -0.035 20 0 DBADRM O=C(CCCc1nnn[n-]1)NC[C@@H]1COC2(CCOCC2)O1 ZINC001411970568 1001265840 /nfs/dbraw/zinc/26/58/40/1001265840.db2.gz OJEFWRDRCUKDDV-SNVBAGLBSA-N -1 0 311.342 -0.439 20 0 DBADRM O=C([N-]N1CCCNC1=O)c1ccn(CCn2cccn2)n1 ZINC001411985755 1001269729 /nfs/dbraw/zinc/26/97/29/1001269729.db2.gz LYILIFQMLCEUFB-UHFFFAOYSA-N -1 0 303.326 -0.160 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001423375720 1001274105 /nfs/dbraw/zinc/27/41/05/1001274105.db2.gz OSYXUXLVZNAFHO-PSASIEDQSA-N -1 0 310.358 -0.885 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1c[nH]c(C(=O)N2CCCC2)c1 ZINC001412004760 1001274263 /nfs/dbraw/zinc/27/42/63/1001274263.db2.gz LOWNDPTUKUSQJU-UHFFFAOYSA-N -1 0 320.309 -0.108 20 0 DBADRM CCO[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@H]1CCOC1 ZINC001412028527 1001282501 /nfs/dbraw/zinc/28/25/01/1001282501.db2.gz MVSPTDOPEHFTIT-ONGXEEELSA-N -1 0 322.383 -0.990 20 0 DBADRM COc1cnc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(F)c1 ZINC001412030290 1001283456 /nfs/dbraw/zinc/28/34/56/1001283456.db2.gz PUPUAFVMRMDDOM-UHFFFAOYSA-N -1 0 319.314 -0.575 20 0 DBADRM COC1(C)CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001591338174 1016484116 /nfs/dbraw/zinc/48/41/16/1016484116.db2.gz GCYVJRSNICCYFE-UHFFFAOYSA-N -1 0 306.330 -0.514 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(Cn2cncn2)CC1 ZINC001412056807 1001290417 /nfs/dbraw/zinc/29/04/17/1001290417.db2.gz VRJTWBRMQFQYRR-UHFFFAOYSA-N -1 0 307.314 -0.780 20 0 DBADRM CCc1nc(C)ncc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412055753 1001290602 /nfs/dbraw/zinc/29/06/02/1001290602.db2.gz HULNILKQWOJSKX-UHFFFAOYSA-N -1 0 317.353 -0.016 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001412061789 1001292220 /nfs/dbraw/zinc/29/22/20/1001292220.db2.gz ZOWJDEASXIRJAK-VIFPVBQESA-N -1 0 301.372 -0.271 20 0 DBADRM Cc1cnc(COCC(=O)N2CCC(O)(c3nnn[n-]3)CC2)o1 ZINC001412059711 1001291845 /nfs/dbraw/zinc/29/18/45/1001291845.db2.gz XPPKUCYBUREHKM-UHFFFAOYSA-N -1 0 322.325 -0.477 20 0 DBADRM C[C@@]1(C(N)=O)CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001412066856 1001293275 /nfs/dbraw/zinc/29/32/75/1001293275.db2.gz GTUUUDFGELNPNZ-CQSZACIVSA-N -1 0 315.337 -0.588 20 0 DBADRM CN(Cc1ncnn1CC(F)F)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412092913 1001298422 /nfs/dbraw/zinc/29/84/22/1001298422.db2.gz PWJXNAXBKKRQOQ-UHFFFAOYSA-N -1 0 317.256 -0.796 20 0 DBADRM NC(=O)[C@@H](O)CNC(=O)c1cccc(Br)c1[O-] ZINC001412088784 1001298446 /nfs/dbraw/zinc/29/84/46/1001298446.db2.gz FDGRFTAVRIEOSY-ZETCQYMHSA-N -1 0 303.112 -0.269 20 0 DBADRM Cc1ncncc1COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001412091322 1001298500 /nfs/dbraw/zinc/29/85/00/1001298500.db2.gz UWJKSSMCNNVZTI-UHFFFAOYSA-N -1 0 300.278 -0.087 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNCc2ncccn2)c1[O-] ZINC001423432276 1001299861 /nfs/dbraw/zinc/29/98/61/1001299861.db2.gz RXWDKKICURPOTK-SNVBAGLBSA-N -1 0 320.353 -0.564 20 0 DBADRM CCC(CC)(NC(=O)[C@H]1CCCS1(=O)=O)c1nnn[n-]1 ZINC001412106008 1001301554 /nfs/dbraw/zinc/30/15/54/1001301554.db2.gz DUIKWSJFAOTRNK-MRVPVSSYSA-N -1 0 301.372 -0.092 20 0 DBADRM CCC(CC)(NC(=O)[C@@H]1CCCS1(=O)=O)c1nnn[n-]1 ZINC001412106009 1001302196 /nfs/dbraw/zinc/30/21/96/1001302196.db2.gz DUIKWSJFAOTRNK-QMMMGPOBSA-N -1 0 301.372 -0.092 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)OC(C)(C)C ZINC001412103892 1001302002 /nfs/dbraw/zinc/30/20/02/1001302002.db2.gz MLTAYDYEWIJLBY-ZETCQYMHSA-N -1 0 315.330 -0.281 20 0 DBADRM CO[C@H]1CC[C@@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001591349723 1016486790 /nfs/dbraw/zinc/48/67/90/1016486790.db2.gz BSWBPYVCOUQKCB-SFYZADRCSA-N -1 0 321.341 -0.757 20 0 DBADRM CO[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001591357852 1016485880 /nfs/dbraw/zinc/48/58/80/1016485880.db2.gz IZFJVOISJBLHLT-SFYZADRCSA-N -1 0 321.341 -0.743 20 0 DBADRM CN(C)C(=O)O[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001412160367 1001317445 /nfs/dbraw/zinc/31/74/45/1001317445.db2.gz OCRWDPOSMQIZRN-MRVPVSSYSA-N -1 0 313.314 -0.622 20 0 DBADRM Cc1cc(=O)n2[nH]c(NC(=O)[C@H]3CCS(=O)(=O)C3)nc2n1 ZINC001412158254 1001318048 /nfs/dbraw/zinc/31/80/48/1001318048.db2.gz HSFNBHLNBYWMPQ-ZETCQYMHSA-N -1 0 311.323 -0.901 20 0 DBADRM CCC(=O)N[C@H]1C[C@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001412164311 1001319252 /nfs/dbraw/zinc/31/92/52/1001319252.db2.gz MXYXSDZKBIAZLX-KYZUINATSA-N -1 0 323.353 -0.364 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCN(C(=O)CCCc2nnn[n-]2)C1 ZINC001412193700 1001328815 /nfs/dbraw/zinc/32/88/15/1001328815.db2.gz TXRPFQONQZNLRU-JTQLQIEISA-N -1 0 315.399 -0.194 20 0 DBADRM CO[C@@H](CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)C ZINC001591330534 1016481742 /nfs/dbraw/zinc/48/17/42/1016481742.db2.gz ITIFKCSXTXFCJH-IUCAKERBSA-N -1 0 308.346 -0.194 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)[C@@H](C)NS(=O)(=O)CC)[n-]1 ZINC001412205763 1001332459 /nfs/dbraw/zinc/33/24/59/1001332459.db2.gz FKJLYQSVNLRPGE-SSDOTTSWSA-N -1 0 318.355 -0.147 20 0 DBADRM CO[C@]1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCSC1 ZINC001591337036 1016482284 /nfs/dbraw/zinc/48/22/84/1016482284.db2.gz ZJHMHZIJDDXJOP-LLVKDONJSA-N -1 0 324.370 -0.904 20 0 DBADRM CO[C@@H]([C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C1CC1 ZINC001591327066 1016482910 /nfs/dbraw/zinc/48/29/10/1016482910.db2.gz PUVLKPUFEZUMRL-MUWHJKNJSA-N -1 0 321.341 -0.109 20 0 DBADRM CO[C@H](C)CC(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001423500932 1001346341 /nfs/dbraw/zinc/34/63/41/1001346341.db2.gz FULMTYXQJRUHSR-ZJUUUORDSA-N -1 0 315.374 -0.814 20 0 DBADRM CO[C@@H](CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)C ZINC001591330532 1016483221 /nfs/dbraw/zinc/48/32/21/1016483221.db2.gz ITIFKCSXTXFCJH-BDAKNGLRSA-N -1 0 308.346 -0.194 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ncccc1S(C)(=O)=O ZINC001412291597 1001359236 /nfs/dbraw/zinc/35/92/36/1001359236.db2.gz MATBOTZPWQZDQO-UHFFFAOYSA-N -1 0 312.307 -0.566 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001412294825 1001360119 /nfs/dbraw/zinc/36/01/19/1001360119.db2.gz ZZFLOSFYZQVZBC-QMMMGPOBSA-N -1 0 303.340 -0.464 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)C1(C)CCC1 ZINC001423522721 1001360884 /nfs/dbraw/zinc/36/08/84/1001360884.db2.gz FPEYNEXHYCLTOK-SNVBAGLBSA-N -1 0 311.386 -0.048 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1c[n-]n2c1nccc2=O ZINC001412327717 1001368746 /nfs/dbraw/zinc/36/87/46/1001368746.db2.gz JHRWYGDTTOPMHW-WCBMZHEXSA-N -1 0 306.278 -0.917 20 0 DBADRM CO[C@H]1CCC[C@@H]1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591363758 1016490226 /nfs/dbraw/zinc/49/02/26/1016490226.db2.gz YGSNRBLXHDYFFP-IUCAKERBSA-N -1 0 306.330 -0.611 20 0 DBADRM CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1c[n-]ncc1=O ZINC001412355987 1001375509 /nfs/dbraw/zinc/37/55/09/1001375509.db2.gz UPNJVGFDAOMWEO-HNNXBMFYSA-N -1 0 322.365 -0.472 20 0 DBADRM CCNC(=O)c1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1CCO ZINC001412370436 1001378551 /nfs/dbraw/zinc/37/85/51/1001378551.db2.gz BKTBCUXFCWTHSS-UHFFFAOYSA-N -1 0 305.338 -0.143 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc(N2CCNC2=O)cc1 ZINC001412377439 1001380636 /nfs/dbraw/zinc/38/06/36/1001380636.db2.gz MMGFZJXYGHNTEU-UHFFFAOYSA-N -1 0 318.293 -0.142 20 0 DBADRM C[C@]1(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCS(=O)(=O)C1 ZINC001412381564 1001382139 /nfs/dbraw/zinc/38/21/39/1001382139.db2.gz PLJSPWJTRBWIGX-NSHDSACASA-N -1 0 318.355 -0.837 20 0 DBADRM CCC(=O)NC[C@H](C1CC1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412386552 1001383492 /nfs/dbraw/zinc/38/34/92/1001383492.db2.gz GTYGNKMINCODOK-SECBINFHSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(CC(F)(F)F)CC1 ZINC001412387382 1001384333 /nfs/dbraw/zinc/38/43/33/1001384333.db2.gz VSXSSNBKVMPOQM-UHFFFAOYSA-N -1 0 309.248 -0.604 20 0 DBADRM CC(C)CN1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1=O ZINC001591364411 1016491175 /nfs/dbraw/zinc/49/11/75/1016491175.db2.gz BMMDXUCTORTOHX-UHFFFAOYSA-N -1 0 308.338 -0.092 20 0 DBADRM CC(C)CN1N=C(C(=O)N2CC[C@](O)(C(=O)[O-])C2)CCC1=O ZINC001591366952 1016491393 /nfs/dbraw/zinc/49/13/93/1016491393.db2.gz HRPQYEJZUAEVSQ-CQSZACIVSA-N -1 0 311.338 -0.331 20 0 DBADRM COCCN(CCNC(=O)c1oncc1C)Cc1n[nH]c(=O)[n-]1 ZINC001423641888 1001396338 /nfs/dbraw/zinc/39/63/38/1001396338.db2.gz MVNCWBMWVYAFGV-UHFFFAOYSA-N -1 0 324.341 -0.315 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N(C)CC(N)=O)cc2=O)n1 ZINC001412425866 1001397805 /nfs/dbraw/zinc/39/78/05/1001397805.db2.gz XTPXGCXUEHBQSI-UHFFFAOYSA-N -1 0 304.310 -0.870 20 0 DBADRM C[C@H](NC(=O)C1CCCC1)C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001412428870 1001398971 /nfs/dbraw/zinc/39/89/71/1001398971.db2.gz AODDTQXNDOEHGX-GXSJLCMTSA-N -1 0 322.369 -0.206 20 0 DBADRM CC(C)CNC(=O)CN1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001591369104 1016492129 /nfs/dbraw/zinc/49/21/29/1016492129.db2.gz IUFSJHWIMWGMNG-VXGBXAGGSA-N -1 0 311.382 -0.378 20 0 DBADRM COCC(C)(C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001591369730 1016492244 /nfs/dbraw/zinc/49/22/44/1016492244.db2.gz WKWSFCPXSPTCTM-UHFFFAOYSA-N -1 0 323.357 -0.651 20 0 DBADRM Cc1nc(SCCC(=O)N2CCOC[C@H]2c2nnn[n-]2)n[nH]1 ZINC001412429075 1001399552 /nfs/dbraw/zinc/39/95/52/1001399552.db2.gz BUHJLDCEWFCDLC-QMMMGPOBSA-N -1 0 324.370 -0.291 20 0 DBADRM COC(=O)N1CCC(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)CC1 ZINC001412434560 1001401276 /nfs/dbraw/zinc/40/12/76/1001401276.db2.gz WGFOVMHJJBHZAU-SNVBAGLBSA-N -1 0 324.341 -0.422 20 0 DBADRM O=C(c1cnc2n1CCCC2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001412434489 1001401287 /nfs/dbraw/zinc/40/12/87/1001401287.db2.gz WETIXAQDMHMEFV-JTQLQIEISA-N -1 0 303.326 -0.054 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)CCCc2nnn[n-]2)C1 ZINC001412451737 1001408187 /nfs/dbraw/zinc/40/81/87/1001408187.db2.gz GUBQASCUEIPNFK-VIFPVBQESA-N -1 0 316.387 -0.937 20 0 DBADRM COCc1ncc2c(n1)CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001412463042 1001412760 /nfs/dbraw/zinc/41/27/60/1001412760.db2.gz ULPMRBDLMAEJCI-UHFFFAOYSA-N -1 0 320.309 -0.789 20 0 DBADRM CO[C@H]1COCC[C@@H]1CC(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001591361304 1016487303 /nfs/dbraw/zinc/48/73/03/1016487303.db2.gz LELGDILWQOJAKP-APPZFPTMSA-N -1 0 307.314 -0.030 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001412489832 1001423703 /nfs/dbraw/zinc/42/37/03/1001423703.db2.gz OAUQOTSBZHXZIV-VIFPVBQESA-N -1 0 316.387 -0.813 20 0 DBADRM CC(C)C[C@@H](C(N)=O)N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412504593 1001430704 /nfs/dbraw/zinc/43/07/04/1001430704.db2.gz SKUMLGZONGFDBP-VIFPVBQESA-N -1 0 313.358 -0.172 20 0 DBADRM CC(C)CNC(=O)CN1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001591369631 1016493758 /nfs/dbraw/zinc/49/37/58/1016493758.db2.gz UQVLGPWXEUBUNM-NEPJUHHUSA-N -1 0 311.382 -0.473 20 0 DBADRM COC(=O)c1cc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)n(C)c1C ZINC001412513211 1001433591 /nfs/dbraw/zinc/43/35/91/1001433591.db2.gz YOXZOELWQUIMMG-UHFFFAOYSA-N -1 0 321.293 -0.354 20 0 DBADRM Cc1cccc(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001423804889 1001442742 /nfs/dbraw/zinc/44/27/42/1001442742.db2.gz MVULIMUGOFUMRP-UHFFFAOYSA-N -1 0 317.349 -0.205 20 0 DBADRM COCCn1cc(C(=O)NC2(c3nnn[n-]3)CCC2)ccc1=O ZINC001412543225 1001444756 /nfs/dbraw/zinc/44/47/56/1001444756.db2.gz OGFBFKJYCDBXAL-UHFFFAOYSA-N -1 0 318.337 -0.183 20 0 DBADRM Cc1n[nH]c(C(=O)NCc2nnc3n2CCN(C)C3=O)c1[O-] ZINC001412546165 1001445827 /nfs/dbraw/zinc/44/58/27/1001445827.db2.gz PRGUMYYUYLRDPU-UHFFFAOYSA-N -1 0 305.298 -0.969 20 0 DBADRM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001412571120 1001453524 /nfs/dbraw/zinc/45/35/24/1001453524.db2.gz INTSCXDSYJKWMT-SFYZADRCSA-N -1 0 309.326 -0.340 20 0 DBADRM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001412571116 1001454469 /nfs/dbraw/zinc/45/44/69/1001454469.db2.gz INTSCXDSYJKWMT-HTQZYQBOSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)CCCc1nnn[n-]1 ZINC001412568586 1001454492 /nfs/dbraw/zinc/45/44/92/1001454492.db2.gz REMGDYAAIIMOPH-UHFFFAOYSA-N -1 0 303.388 -0.148 20 0 DBADRM O=C(NCC1(O)CCC1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001412576590 1001454835 /nfs/dbraw/zinc/45/48/35/1001454835.db2.gz LOUBLOYTCWUEGB-UHFFFAOYSA-N -1 0 304.306 -0.089 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3ccon3)C2)c1[O-] ZINC001423836375 1001457437 /nfs/dbraw/zinc/45/74/37/1001457437.db2.gz QVOVDKGNEXSPPO-UHFFFAOYSA-N -1 0 307.310 -0.612 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H]1CCC2(CCC2)O1 ZINC001423848463 1001474687 /nfs/dbraw/zinc/47/46/87/1001474687.db2.gz IJZZIMCNYUVLMB-ZJUUUORDSA-N -1 0 307.368 -0.459 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H]1CCC2(CCC2)O1 ZINC001423848445 1001474788 /nfs/dbraw/zinc/47/47/88/1001474788.db2.gz IJZZIMCNYUVLMB-UWVGGRQHSA-N -1 0 307.368 -0.459 20 0 DBADRM CCOC(=O)[C@H](COC)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412602793 1001481060 /nfs/dbraw/zinc/48/10/60/1001481060.db2.gz DQEYWBAAROBYNB-QMMMGPOBSA-N -1 0 316.314 -0.836 20 0 DBADRM CCOC(=O)[C@H](C)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412623023 1001503648 /nfs/dbraw/zinc/50/36/48/1001503648.db2.gz CNZSSYWZQXPHPT-MRVPVSSYSA-N -1 0 300.315 -0.215 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001412639264 1001518061 /nfs/dbraw/zinc/51/80/61/1001518061.db2.gz ZFANIPQSNDDUPK-UHFFFAOYSA-N -1 0 320.396 -0.362 20 0 DBADRM CCN(C(=O)CNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1 ZINC001412628381 1001514897 /nfs/dbraw/zinc/51/48/97/1001514897.db2.gz QWWQNFLDXCNGCE-UHFFFAOYSA-N -1 0 319.321 -0.141 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H](CO)C[C@H]1CCCO1 ZINC001412633216 1001516100 /nfs/dbraw/zinc/51/61/00/1001516100.db2.gz YGTOZJFXQJFLTB-JGVFFNPUSA-N -1 0 302.356 -0.351 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H](CO)C[C@H]1CCCO1 ZINC001412630015 1001516151 /nfs/dbraw/zinc/51/61/51/1001516151.db2.gz SVPHIKUGLIDWLC-VHSXEESVSA-N -1 0 314.342 -0.484 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC001412634327 1001516455 /nfs/dbraw/zinc/51/64/55/1001516455.db2.gz KYGWFKACKPMXAN-QMMMGPOBSA-N -1 0 309.326 -0.651 20 0 DBADRM COC[C@@H](Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C)c1=O)C(C)C ZINC001591379416 1016501557 /nfs/dbraw/zinc/50/15/57/1016501557.db2.gz QNNADXWAZXRJAF-SNVBAGLBSA-N -1 0 322.369 -0.046 20 0 DBADRM COC(=O)C[C@@]1([N-]S(=O)(=O)N=S(C)(C)=O)CCOC1 ZINC001423898701 1001520099 /nfs/dbraw/zinc/52/00/99/1001520099.db2.gz MRGHOIRWZWJJGC-VIFPVBQESA-N -1 0 314.385 -0.729 20 0 DBADRM COC[C@H]1COCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412659512 1001523164 /nfs/dbraw/zinc/52/31/64/1001523164.db2.gz QBZLAKBLSXTMDA-VIFPVBQESA-N -1 0 300.315 -0.657 20 0 DBADRM COCC1(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCC1 ZINC001591387692 1016502046 /nfs/dbraw/zinc/50/20/46/1016502046.db2.gz YSQOMGASQRQVRE-UHFFFAOYSA-N -1 0 320.357 -0.219 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001423913347 1001524887 /nfs/dbraw/zinc/52/48/87/1001524887.db2.gz USGOYFOXRGRERZ-YYXYEGJISA-N -1 0 322.365 -0.061 20 0 DBADRM COc1ncc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)c2cn[nH]n2)cn1 ZINC001423939735 1001530602 /nfs/dbraw/zinc/53/06/02/1001530602.db2.gz IKXDLAHMENPQIO-JGVFFNPUSA-N -1 0 319.325 -0.460 20 0 DBADRM COC(=O)[C@H]1CCN1C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001412709882 1001537648 /nfs/dbraw/zinc/53/76/48/1001537648.db2.gz UUMTXHHAHQLZKB-SNVBAGLBSA-N -1 0 318.289 -0.346 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOC[C@H]1C[C@H]1CCCO1 ZINC001412730654 1001545889 /nfs/dbraw/zinc/54/58/89/1001545889.db2.gz AZYANEMDUHNJFD-RKDXNWHRSA-N -1 0 310.310 -0.307 20 0 DBADRM CC1CC(C(=O)N[C@]2(CO)CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001424027973 1001549692 /nfs/dbraw/zinc/54/96/92/1001549692.db2.gz NNZSECPYQQDSSO-QKFMDRJYSA-N -1 0 323.397 -0.001 20 0 DBADRM NC(=O)[C@H](CO)NS(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001424035117 1001551697 /nfs/dbraw/zinc/55/16/97/1001551697.db2.gz WTWYCLQWWMQKGM-QMMMGPOBSA-N -1 0 302.283 -0.304 20 0 DBADRM COCCC(C)(C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591397688 1016506201 /nfs/dbraw/zinc/50/62/01/1016506201.db2.gz WHUKGYOWXBJLRM-UHFFFAOYSA-N -1 0 308.346 -0.363 20 0 DBADRM CC(C)COC[C@H](O)CNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001591391222 1016506266 /nfs/dbraw/zinc/50/62/66/1016506266.db2.gz VDZNOHJXBHBZJJ-IJLUTSLNSA-N -1 0 318.370 -0.191 20 0 DBADRM C[C@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)c1nn(C)cc1[O-] ZINC001412771655 1001569688 /nfs/dbraw/zinc/56/96/88/1001569688.db2.gz UPLYHYBGERWGFX-WCBMZHEXSA-N -1 0 309.326 -0.834 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H](CO)[C@H]1CCOC1 ZINC001412775401 1001572844 /nfs/dbraw/zinc/57/28/44/1001572844.db2.gz FMNSNRMXVXVHFB-JGVFFNPUSA-N -1 0 312.288 -0.043 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC[C@@H](O)[C@@H](F)C1 ZINC001412777775 1001573096 /nfs/dbraw/zinc/57/30/96/1001573096.db2.gz TUMRZYQBNOEYKO-DTWKUNHWSA-N -1 0 308.269 -0.019 20 0 DBADRM O=C(CC(F)(F)F)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001424115411 1001575167 /nfs/dbraw/zinc/57/51/67/1001575167.db2.gz QJVWALHOHDEFEV-SSDOTTSWSA-N -1 0 323.275 -0.220 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001424125303 1001579163 /nfs/dbraw/zinc/57/91/63/1001579163.db2.gz DNYUNHDGJVIBSB-IUCAKERBSA-N -1 0 301.322 -0.425 20 0 DBADRM C[C@H](CN(C)C(=O)C[C@@H]1CCCS(=O)(=O)C1)c1nnn[n-]1 ZINC001412790518 1001584972 /nfs/dbraw/zinc/58/49/72/1001584972.db2.gz BTGAFLAYDQYJID-ZJUUUORDSA-N -1 0 315.399 -0.024 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1COC[C@H]1OC ZINC001424190053 1001592383 /nfs/dbraw/zinc/59/23/83/1001592383.db2.gz XTKGSLZWRVFVSL-DTWKUNHWSA-N -1 0 300.402 -0.258 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001591414338 1016510082 /nfs/dbraw/zinc/51/00/82/1016510082.db2.gz HKPJGELMZCTZPA-UWVGGRQHSA-N -1 0 307.368 -0.649 20 0 DBADRM COCCCCN(C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591410869 1016510327 /nfs/dbraw/zinc/51/03/27/1016510327.db2.gz KCNSRCCANBSXBZ-UHFFFAOYSA-N -1 0 323.361 -0.474 20 0 DBADRM C[C@@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)c1nncn1C ZINC001412841153 1001615891 /nfs/dbraw/zinc/61/58/91/1001615891.db2.gz ICQCZDBNHQSVHW-QMMMGPOBSA-N -1 0 309.330 -0.482 20 0 DBADRM CC(C)CN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](C)C1=O ZINC001412843639 1001616722 /nfs/dbraw/zinc/61/67/22/1001616722.db2.gz LLAXPFMYZSKQSW-SECBINFHSA-N -1 0 311.342 -0.595 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001412856179 1001623061 /nfs/dbraw/zinc/62/30/61/1001623061.db2.gz PFCBSFQHZXKINQ-RKDXNWHRSA-N -1 0 310.383 -0.125 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001412856144 1001623777 /nfs/dbraw/zinc/62/37/77/1001623777.db2.gz PFCBSFQHZXKINQ-BDAKNGLRSA-N -1 0 310.383 -0.125 20 0 DBADRM NC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC001412858795 1001624785 /nfs/dbraw/zinc/62/47/85/1001624785.db2.gz IOPVUFPQZMNYMS-CQSZACIVSA-N -1 0 301.306 -0.221 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CC[C@@]1(O)CCOC1 ZINC001424333915 1001625601 /nfs/dbraw/zinc/62/56/01/1001625601.db2.gz CQZMYJKAIOAUMR-GFCCVEGCSA-N -1 0 319.335 -0.114 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)Cc2c[nH]cn2)c1[O-] ZINC001424341441 1001627713 /nfs/dbraw/zinc/62/77/13/1001627713.db2.gz ZRKHACCZUZMCIQ-MRVPVSSYSA-N -1 0 320.353 -0.034 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@@H](CO)[C@@H]1CCOC1 ZINC001412880623 1001633863 /nfs/dbraw/zinc/63/38/63/1001633863.db2.gz IUACVBBCYCOXLM-ZJUUUORDSA-N -1 0 314.342 -0.769 20 0 DBADRM COCCC1(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001591400891 1016512391 /nfs/dbraw/zinc/51/23/91/1016512391.db2.gz DSALZRKPAQLKEG-VIFPVBQESA-N -1 0 320.357 -0.048 20 0 DBADRM O=C(c1cnn(C2CC2)c1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412898527 1001640532 /nfs/dbraw/zinc/64/05/32/1001640532.db2.gz JZYWGBVQJIVASC-UHFFFAOYSA-N -1 0 303.326 -0.145 20 0 DBADRM O=C(Cc1cncc(O)c1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412904787 1001642330 /nfs/dbraw/zinc/64/23/30/1001642330.db2.gz WUVDFRLQJFJVRH-UHFFFAOYSA-N -1 0 304.310 -0.647 20 0 DBADRM C[C@H](O)c1ncc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)s1 ZINC001412906283 1001642954 /nfs/dbraw/zinc/64/29/54/1001642954.db2.gz YYLXEDYEFBSHPR-ZETCQYMHSA-N -1 0 324.366 -0.167 20 0 DBADRM C[C@H](NC(=O)C1(C)CC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001424506925 1001654251 /nfs/dbraw/zinc/65/42/51/1001654251.db2.gz BCWKCEJBICFVJV-QMMMGPOBSA-N -1 0 323.353 -0.548 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001413116179 1001701479 /nfs/dbraw/zinc/70/14/79/1001701479.db2.gz NTRVOKTWTVTZJC-OCAPTIKFSA-N -1 0 305.294 -0.861 20 0 DBADRM CC[C@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C(=O)NC ZINC001413123314 1001702124 /nfs/dbraw/zinc/70/21/24/1001702124.db2.gz WGAFVXMNVPZNOK-JTQLQIEISA-N -1 0 319.321 -0.479 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC2(C1)CNC(=O)O2 ZINC001413136323 1001703289 /nfs/dbraw/zinc/70/32/89/1001703289.db2.gz ASMCLLKUKKQTRD-UHFFFAOYSA-N -1 0 309.244 -0.236 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC001413185909 1001709136 /nfs/dbraw/zinc/70/91/36/1001709136.db2.gz RZSHGDZDMIFJKN-SNVBAGLBSA-N -1 0 303.278 -0.091 20 0 DBADRM Cc1nnc(CC(=O)NC[C@H]2C[C@H](NC(=O)c3cn[nH]n3)C2)o1 ZINC001424734401 1001768128 /nfs/dbraw/zinc/76/81/28/1001768128.db2.gz MMFNFKPLCXQJCN-KYZUINATSA-N -1 0 319.325 -0.637 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)CCc1nnn[n-]1 ZINC001413279905 1001801897 /nfs/dbraw/zinc/80/18/97/1001801897.db2.gz OZCFGQLTIWQMMF-VIFPVBQESA-N -1 0 311.342 -0.299 20 0 DBADRM Cc1cc(CN[C@@H](C)[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001424845146 1001806036 /nfs/dbraw/zinc/80/60/36/1001806036.db2.gz ZUYQUPWQCHDNSI-DTWKUNHWSA-N -1 0 324.341 -0.331 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CC(=O)NCC1CC1 ZINC001413325930 1001814769 /nfs/dbraw/zinc/81/47/69/1001814769.db2.gz XOTHIDHSMRQBFD-UHFFFAOYSA-N -1 0 316.335 -0.129 20 0 DBADRM C[C@H](CN(C)C(=O)C1CCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001424954164 1001816724 /nfs/dbraw/zinc/81/67/24/1001816724.db2.gz KNEHHKIAOXJINJ-SECBINFHSA-N -1 0 322.365 -0.137 20 0 DBADRM CN1C[C@H](O)C[C@]1(C)C(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001413336559 1001818327 /nfs/dbraw/zinc/81/83/27/1001818327.db2.gz YKVCPZNFXFKVQB-TYNCELHUSA-N -1 0 316.365 -0.140 20 0 DBADRM COCCc1noc(CN(C)c2ccnc(-c3nnn[n-]3)n2)n1 ZINC001591448062 1016527699 /nfs/dbraw/zinc/52/76/99/1016527699.db2.gz WAHAYFQBWZPLOI-UHFFFAOYSA-N -1 0 317.313 -0.135 20 0 DBADRM COCOCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591451921 1016527828 /nfs/dbraw/zinc/52/78/28/1016527828.db2.gz JLIKPLJBASGSID-UHFFFAOYSA-N -1 0 317.327 -0.251 20 0 DBADRM C[C@@H](CNC(=O)C[C@@H]1CCN(C)C1=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001424979706 1001821550 /nfs/dbraw/zinc/82/15/50/1001821550.db2.gz JCBPVQKKYZRHIB-UWVGGRQHSA-N -1 0 324.385 -0.685 20 0 DBADRM C[C@@](CO)(Cc1ccc(F)cc1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001413350904 1001823367 /nfs/dbraw/zinc/82/33/67/1001823367.db2.gz ANOZUJJVFHTXJB-AWEZNQCLSA-N -1 0 324.312 -0.062 20 0 DBADRM C[C@](CO)(Cc1ccc(F)cc1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001413350905 1001823578 /nfs/dbraw/zinc/82/35/78/1001823578.db2.gz ANOZUJJVFHTXJB-CQSZACIVSA-N -1 0 324.312 -0.062 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCC(C)(C)OCCO)n[nH]1 ZINC001413350823 1001823588 /nfs/dbraw/zinc/82/35/88/1001823588.db2.gz ANMFIPCUZKAMKK-UHFFFAOYSA-N -1 0 321.355 -0.738 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CC(C)=NO2)on1 ZINC001413355775 1001825304 /nfs/dbraw/zinc/82/53/04/1001825304.db2.gz IFZMLCMTZASHGV-SSDOTTSWSA-N -1 0 303.296 -0.096 20 0 DBADRM Cc1nnsc1C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001425012770 1001827332 /nfs/dbraw/zinc/82/73/32/1001827332.db2.gz XNJUSQWIQDQMBR-LURJTMIESA-N -1 0 311.371 -0.079 20 0 DBADRM COc1cc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)on1 ZINC001425014708 1001827724 /nfs/dbraw/zinc/82/77/24/1001827724.db2.gz DCBVSKWYTRQNRT-ZETCQYMHSA-N -1 0 310.314 -0.243 20 0 DBADRM COc1cccc(CC(=O)N2CCOC[C@@H]2c2nnn[n-]2)n1 ZINC001413385621 1001834686 /nfs/dbraw/zinc/83/46/86/1001834686.db2.gz HVLLYQWIDNXDCP-SNVBAGLBSA-N -1 0 304.310 -0.254 20 0 DBADRM Cc1ccn(CC(=O)NC[C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001433388082 1001843754 /nfs/dbraw/zinc/84/37/54/1001843754.db2.gz ZVXPMFRXHYWKTG-SECBINFHSA-N -1 0 320.353 -0.137 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)C[C@@H](C)NC(N)=O)C(=O)[O-] ZINC001591457522 1016531084 /nfs/dbraw/zinc/53/10/84/1016531084.db2.gz LIKCXCALYYRJFK-BDAKNGLRSA-N -1 0 316.358 -0.835 20 0 DBADRM COC[C@@H](CS(=O)(=O)NCC1N=NC(=O)N1C1CC1)OC ZINC001413424534 1001844668 /nfs/dbraw/zinc/84/46/68/1001844668.db2.gz MZUUINJAMNHDAU-VIFPVBQESA-N -1 0 320.371 -0.601 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCC(c3nnn[n-]3)CC2)on1 ZINC001413428551 1001844959 /nfs/dbraw/zinc/84/49/59/1001844959.db2.gz SURQKJHFEUSGNF-UHFFFAOYSA-N -1 0 306.282 -0.006 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2COCC[C@H]2OC)on1 ZINC001413449060 1001850031 /nfs/dbraw/zinc/85/00/31/1001850031.db2.gz SGNIQKWGKJTNRW-RKDXNWHRSA-N -1 0 320.323 -0.457 20 0 DBADRM COCc1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)no1 ZINC001591461926 1016530162 /nfs/dbraw/zinc/53/01/62/1016530162.db2.gz GNQMLGVHNUJXNC-UHFFFAOYSA-N -1 0 319.285 -0.977 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)C1 ZINC001413452810 1001851141 /nfs/dbraw/zinc/85/11/41/1001851141.db2.gz JEHGABCRIAUUEZ-BDAKNGLRSA-N -1 0 320.349 -0.227 20 0 DBADRM C[C@](O)(CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1CC1 ZINC001433423608 1001851401 /nfs/dbraw/zinc/85/14/01/1001851401.db2.gz WWTVBEYXFISQHW-AWEZNQCLSA-N -1 0 309.370 -0.294 20 0 DBADRM Cn1cnnc1S(=O)(=O)NCC1(C2(O)CCOCC2)CC1 ZINC001413451797 1001851470 /nfs/dbraw/zinc/85/14/70/1001851470.db2.gz PETFIADRZCWAJT-UHFFFAOYSA-N -1 0 316.383 -0.585 20 0 DBADRM COC(=O)[C@@]1(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@H](O)C1 ZINC001413462263 1001853622 /nfs/dbraw/zinc/85/36/22/1001853622.db2.gz WEEXYBIQICAWOE-DKZRDSIKSA-N -1 0 307.262 -0.275 20 0 DBADRM O=C(c1cn(C[C@H]2CCOC2)nn1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001413471332 1001857176 /nfs/dbraw/zinc/85/71/76/1001857176.db2.gz QZCQTQNHBRHOSU-NXEZZACHSA-N -1 0 318.341 -0.543 20 0 DBADRM Cn1nccc1CN1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001413476663 1001858794 /nfs/dbraw/zinc/85/87/94/1001858794.db2.gz VXRZMJPFWIHARU-UHFFFAOYSA-N -1 0 310.383 -0.350 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(F)F ZINC001425173762 1001859926 /nfs/dbraw/zinc/85/99/26/1001859926.db2.gz UTDNNSQTNJDOGB-ZCFIWIBFSA-N -1 0 321.284 -0.692 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](O)c1ccccn1)C(=O)[O-] ZINC001591453898 1016531493 /nfs/dbraw/zinc/53/14/93/1016531493.db2.gz YVJYBMATEKQHQR-AAEUAGOBSA-N -1 0 323.349 -0.153 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)c1s[n-]c(=O)c1Cl ZINC001413522628 1001869799 /nfs/dbraw/zinc/86/97/99/1001869799.db2.gz BDJMRRYXRRKRHA-UHFFFAOYSA-N -1 0 320.758 -0.564 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1c[nH]c(=O)n1C)C(=O)[O-] ZINC001591458648 1016532311 /nfs/dbraw/zinc/53/23/11/1016532311.db2.gz UWJCHPNRRYZKMS-QMMMGPOBSA-N -1 0 312.326 -0.529 20 0 DBADRM COCCn1cc(C(=O)N[C@@H](COC)c2nnn[n-]2)ccc1=O ZINC001413550278 1001876754 /nfs/dbraw/zinc/87/67/54/1001876754.db2.gz DFVUSWPIJNAAAY-JTQLQIEISA-N -1 0 322.325 -0.875 20 0 DBADRM COCCn1cc(C(=O)N[C@H](COC)c2nnn[n-]2)ccc1=O ZINC001413550281 1001877671 /nfs/dbraw/zinc/87/76/71/1001877671.db2.gz DFVUSWPIJNAAAY-SNVBAGLBSA-N -1 0 322.325 -0.875 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H](O)COc1ccccc1 ZINC001413563600 1001880557 /nfs/dbraw/zinc/88/05/57/1001880557.db2.gz AHUZXCGLPFYQLX-SNVBAGLBSA-N -1 0 306.326 -0.324 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC001413566666 1001881078 /nfs/dbraw/zinc/88/10/78/1001881078.db2.gz KLLAROYCVXINAQ-GXSJLCMTSA-N -1 0 317.353 -0.106 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](C(N)=O)[C@H](C)c1ccccc1 ZINC001413566674 1001881567 /nfs/dbraw/zinc/88/15/67/1001881567.db2.gz KLLAROYCVXINAQ-MWLCHTKSSA-N -1 0 317.353 -0.106 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC001413568229 1001882135 /nfs/dbraw/zinc/88/21/35/1001882135.db2.gz NNROFXGIBNFEOU-MNOVXSKESA-N -1 0 324.385 -0.196 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H](CCNC(C)=O)C1 ZINC001413570056 1001882309 /nfs/dbraw/zinc/88/23/09/1001882309.db2.gz XZWFATLERQNQOF-NSHDSACASA-N -1 0 309.374 -0.115 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC2(CC1)C[C@H](O)CCO2 ZINC001413570725 1001883438 /nfs/dbraw/zinc/88/34/38/1001883438.db2.gz ZUMMGJPJBQLMPS-SNVBAGLBSA-N -1 0 310.358 -0.347 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)C1=NN(CC(C)C)C(=O)CC1 ZINC001433557700 1001884141 /nfs/dbraw/zinc/88/41/41/1001884141.db2.gz MUGPUPZGCHWYEC-UHFFFAOYSA-N -1 0 323.357 -0.686 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1c[nH]c2cccc(-c3nn[nH]n3)c12 ZINC001591466410 1016534215 /nfs/dbraw/zinc/53/42/15/1016534215.db2.gz JUSINTTYSXRDNM-UHFFFAOYSA-N -1 0 315.293 -0.245 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1COC[C@H]1C1CC1 ZINC001433567133 1001885933 /nfs/dbraw/zinc/88/59/33/1001885933.db2.gz HHQKPJPYNHTDQW-QWRGUYRKSA-N -1 0 303.322 -0.388 20 0 DBADRM Cn1[n-]c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1=O ZINC001433583045 1001889817 /nfs/dbraw/zinc/88/98/17/1001889817.db2.gz GBDKYNKJUKDFMZ-UHFFFAOYSA-N -1 0 324.362 -0.254 20 0 DBADRM CO[C@@H]1CCC[C@H]1NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591467249 1016535165 /nfs/dbraw/zinc/53/51/65/1016535165.db2.gz DXYWWVMRTOSOJG-DJLDLDEBSA-N -1 0 306.330 -0.297 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC001591467156 1016535872 /nfs/dbraw/zinc/53/58/72/1016535872.db2.gz KKMISTJEIHAPMV-MRVPVSSYSA-N -1 0 320.309 -0.572 20 0 DBADRM CO[N-]C(=O)CNC(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC001591467440 1016536037 /nfs/dbraw/zinc/53/60/37/1016536037.db2.gz OPJFJJZEUYZEBN-UHFFFAOYSA-N -1 0 305.298 -0.928 20 0 DBADRM CCNC(=O)c1cccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001433609391 1001896914 /nfs/dbraw/zinc/89/69/14/1001896914.db2.gz COKCRCITZGLTIS-UHFFFAOYSA-N -1 0 319.321 -0.245 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)CSc2n[nH]c(=O)[n-]2)CCS1(=O)=O ZINC001413657341 1001899136 /nfs/dbraw/zinc/89/91/36/1001899136.db2.gz RHMAHXMPKXIKNB-RQJHMYQMSA-N -1 0 320.396 -0.316 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001591467800 1016536927 /nfs/dbraw/zinc/53/69/27/1016536927.db2.gz WDFKCDCIYCIXLM-UHFFFAOYSA-N -1 0 309.261 -0.195 20 0 DBADRM CC(C)C[C@H](NC(=O)CNS(=O)(=O)N1CCCC1)C(=O)[O-] ZINC001591463169 1016537013 /nfs/dbraw/zinc/53/70/13/1016537013.db2.gz XMXMXPWNGXYJDK-JTQLQIEISA-N -1 0 321.399 -0.468 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1cc(C)c(-c2nn[nH]n2)cn1 ZINC001591467128 1016537027 /nfs/dbraw/zinc/53/70/27/1016537027.db2.gz JQMRJLNXBNXCQO-UHFFFAOYSA-N -1 0 306.286 -0.631 20 0 DBADRM NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cnncc2O)CC1 ZINC001433633424 1001914736 /nfs/dbraw/zinc/91/47/36/1001914736.db2.gz CQQBWHJHNIWLBF-GFCCVEGCSA-N -1 0 319.365 -0.264 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591471578 1016538756 /nfs/dbraw/zinc/53/87/56/1016538756.db2.gz AWWUHWHBGNZBHD-GXSJLCMTSA-N -1 0 305.294 -0.284 20 0 DBADRM CCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001413680664 1001922983 /nfs/dbraw/zinc/92/29/83/1001922983.db2.gz USKDWMMDRNGTMP-IUCAKERBSA-N -1 0 313.358 -0.111 20 0 DBADRM CO[C@H]1C[C@@H](COC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001591473179 1016540406 /nfs/dbraw/zinc/54/04/06/1016540406.db2.gz WNBUJBGBWBLTNR-HLTSFMKQSA-N -1 0 307.314 -0.013 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC1(c2ncon2)CCC1 ZINC001413687554 1001927516 /nfs/dbraw/zinc/92/75/16/1001927516.db2.gz CROLEPPVDSLEIJ-UHFFFAOYSA-N -1 0 315.293 -0.350 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ccon1 ZINC001495099222 1016547980 /nfs/dbraw/zinc/54/79/80/1016547980.db2.gz RXMFKLOJCNLZKT-QMMMGPOBSA-N -1 0 310.314 -0.638 20 0 DBADRM CC(C)N(C[C@H](O)CO)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001591573653 1016552398 /nfs/dbraw/zinc/55/23/98/1016552398.db2.gz OFWXJHSGYAERPN-VIFPVBQESA-N -1 0 320.367 -0.524 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001591556771 1016549434 /nfs/dbraw/zinc/54/94/34/1016549434.db2.gz STAHCCKUHKAJFT-NSHDSACASA-N -1 0 305.356 -0.123 20 0 DBADRM CNC(=O)COc1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001433671085 1001946184 /nfs/dbraw/zinc/94/61/84/1001946184.db2.gz PUNOARRYFLKKNK-UHFFFAOYSA-N -1 0 321.293 -0.547 20 0 DBADRM CC(C)N(C[C@H](O)CO)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001591573439 1016551033 /nfs/dbraw/zinc/55/10/33/1016551033.db2.gz FFDLLCNPJHUHNY-VWYCJHECSA-N -1 0 309.384 -0.367 20 0 DBADRM C[C@H]([C@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O)S(C)(=O)=O ZINC001433698344 1001978616 /nfs/dbraw/zinc/97/86/16/1001978616.db2.gz KVUAEXRHEABZHG-NTSWFWBYSA-N -1 0 304.328 -0.824 20 0 DBADRM COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NCC(=O)[O-] ZINC001591498176 1016545617 /nfs/dbraw/zinc/54/56/17/1016545617.db2.gz PYTYYGNLDLQMIR-UHFFFAOYSA-N -1 0 307.266 -0.545 20 0 DBADRM CNC(=O)CCNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001433709111 1001986169 /nfs/dbraw/zinc/98/61/69/1001986169.db2.gz GJNRIASEVMNFTB-UHFFFAOYSA-N -1 0 318.337 -0.562 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)CCCc2nnn[n-]2)C1 ZINC001433711827 1001989468 /nfs/dbraw/zinc/98/94/68/1001989468.db2.gz PIPZNRAWESEAHU-NXEZZACHSA-N -1 0 315.399 -0.006 20 0 DBADRM CC(C)N1C[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CC2)CC1=O ZINC001591609825 1016552726 /nfs/dbraw/zinc/55/27/26/1016552726.db2.gz ARAGCQNRRWFGSC-VIFPVBQESA-N -1 0 304.368 -0.220 20 0 DBADRM CC(C)N(CCC(=O)[O-])c1nnnn1CCN1CCOCC1 ZINC001591589548 1016552770 /nfs/dbraw/zinc/55/27/70/1016552770.db2.gz OEIFOLPDARRVFF-UHFFFAOYSA-N -1 0 312.374 -0.305 20 0 DBADRM COc1nccc(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)n1 ZINC001413773264 1002002855 /nfs/dbraw/zinc/00/28/55/1002002855.db2.gz YQFOLOFDOJAVSA-VIFPVBQESA-N -1 0 316.321 -0.011 20 0 DBADRM CC(C)N(CCN(C)CC(=O)N(C)C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001591593925 1016553767 /nfs/dbraw/zinc/55/37/67/1016553767.db2.gz LTBHDKPAWKVYPM-RYUDHWBXSA-N -1 0 313.398 -0.036 20 0 DBADRM CC(C)N(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1nnnn1C ZINC001591590804 1016553804 /nfs/dbraw/zinc/55/38/04/1016553804.db2.gz HWUUIUIQYDSLAC-GHMZBOCLSA-N -1 0 324.385 -0.353 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001413785806 1002009763 /nfs/dbraw/zinc/00/97/63/1002009763.db2.gz UNTWOAHDMZPDFL-GHMZBOCLSA-N -1 0 316.317 -0.042 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)C[C@@H]1C(=O)OC ZINC001413794228 1002013444 /nfs/dbraw/zinc/01/34/44/1002013444.db2.gz RJQVEFNIYDPQFL-YUMQZZPRSA-N -1 0 311.294 -0.840 20 0 DBADRM CC(C)N(C[C@H](O)CO)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001591573579 1016555077 /nfs/dbraw/zinc/55/50/77/1016555077.db2.gz MJEBQMDPIBUGMX-VIFPVBQESA-N -1 0 318.351 -0.468 20 0 DBADRM CC(C)N(CCN(C)CC(=O)N(C)C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001591593923 1016555182 /nfs/dbraw/zinc/55/51/82/1016555182.db2.gz LTBHDKPAWKVYPM-NWDGAFQWSA-N -1 0 313.398 -0.036 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2c[n-]ncc2=O)C(=O)N1c1cnn(C)c1 ZINC001433763599 1002017751 /nfs/dbraw/zinc/01/77/51/1002017751.db2.gz ZWJMYUCOXKYPOJ-KWQFWETISA-N -1 0 316.321 -0.161 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@@]2(CCOC2=O)C1 ZINC001413808093 1002019574 /nfs/dbraw/zinc/01/95/74/1002019574.db2.gz DCDYYOBIOHMIQP-CYBMUJFWSA-N -1 0 310.310 -0.365 20 0 DBADRM CC(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001591639656 1016555617 /nfs/dbraw/zinc/55/56/17/1016555617.db2.gz GPSCTOZAMSAUBC-ZCFIWIBFSA-N -1 0 304.328 -0.701 20 0 DBADRM CC(C)NC(=O)CCNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001591641164 1016556786 /nfs/dbraw/zinc/55/67/86/1016556786.db2.gz KVGKWXHVXSOQLE-IUCAKERBSA-N -1 0 316.358 -0.822 20 0 DBADRM COc1cccc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001591632438 1016557351 /nfs/dbraw/zinc/55/73/51/1016557351.db2.gz DUFUKZXPCBHCHL-UHFFFAOYSA-N -1 0 315.297 -0.708 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001591645016 1016557880 /nfs/dbraw/zinc/55/78/80/1016557880.db2.gz MWMDYSUCXNQJEZ-JTQLQIEISA-N -1 0 318.349 -0.739 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)c1cn(C2CCOCC2)nn1 ZINC001413838985 1002036894 /nfs/dbraw/zinc/03/68/94/1002036894.db2.gz FDLHZDOFTWUBTF-UHFFFAOYSA-N -1 0 308.298 -0.010 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)c1cccc(C(=O)[O-])n1 ZINC001591661355 1016560517 /nfs/dbraw/zinc/56/05/17/1016560517.db2.gz JRMGJMHKDLPURC-UHFFFAOYSA-N -1 0 315.351 -0.163 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001591661421 1016560607 /nfs/dbraw/zinc/56/06/07/1016560607.db2.gz MEKZCUQDDOHOBI-VHSXEESVSA-N -1 0 306.384 -0.069 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC001591645045 1016561139 /nfs/dbraw/zinc/56/11/39/1016561139.db2.gz NKXSYYCETKSVJT-UHFFFAOYSA-N -1 0 322.365 -0.005 20 0 DBADRM CC(C)NC(=O)CN1CCC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001591645251 1016562094 /nfs/dbraw/zinc/56/20/94/1016562094.db2.gz QZUKGJJZMHLOGU-RYUDHWBXSA-N -1 0 311.382 -0.188 20 0 DBADRM CC(C)NS(=O)(=O)N1CCN(C(=O)CCCC(=O)[O-])CC1 ZINC001591666450 1016564426 /nfs/dbraw/zinc/56/44/26/1016564426.db2.gz DYRJBECWTWIEFI-UHFFFAOYSA-N -1 0 321.399 -0.372 20 0 DBADRM C[C@@](O)(CC(=O)NCC1(NC(=O)c2cn[nH]n2)CC1)C1CC1 ZINC001433868190 1002082288 /nfs/dbraw/zinc/08/22/88/1002082288.db2.gz NBPWWHQJLMDDPI-CYBMUJFWSA-N -1 0 307.354 -0.266 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001591676037 1016568116 /nfs/dbraw/zinc/56/81/16/1016568116.db2.gz QDXFBCJXCCFJPZ-SNVBAGLBSA-N -1 0 314.338 -0.090 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001433901672 1002102481 /nfs/dbraw/zinc/10/24/81/1002102481.db2.gz CZHGQFITDSHWIL-YIZRAAEISA-N -1 0 302.352 -0.816 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnn2c1CCC2 ZINC001433907265 1002107041 /nfs/dbraw/zinc/10/70/41/1002107041.db2.gz RICVIJDBSCWDNE-UHFFFAOYSA-N -1 0 300.340 -0.975 20 0 DBADRM CC(C)OC(=O)CCN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001591676132 1016570604 /nfs/dbraw/zinc/57/06/04/1016570604.db2.gz RMGAOUWUJZGKCW-JTQLQIEISA-N -1 0 307.368 -0.098 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001433932486 1002121377 /nfs/dbraw/zinc/12/13/77/1002121377.db2.gz VABQTEGKJGFHNJ-JMJZKYOTSA-N -1 0 322.369 -0.819 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN3C(=O)N=NC3C2)cc1=O ZINC001433933445 1002122265 /nfs/dbraw/zinc/12/22/65/1002122265.db2.gz RMOUYDWXXDYKER-UHFFFAOYSA-N -1 0 320.353 -0.286 20 0 DBADRM CS(=O)(=O)N1CC(CN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC001413998758 1002122654 /nfs/dbraw/zinc/12/26/54/1002122654.db2.gz BQKUOASHUSQMQX-SNVBAGLBSA-N -1 0 315.399 -0.419 20 0 DBADRM CSC1(CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001591688084 1016573131 /nfs/dbraw/zinc/57/31/31/1016573131.db2.gz CUGUAWQAFMRSSL-UHFFFAOYSA-N -1 0 323.386 -0.347 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001591679154 1016575079 /nfs/dbraw/zinc/57/50/79/1016575079.db2.gz SNCMYVNLFFFZBE-QMMMGPOBSA-N -1 0 324.370 -0.825 20 0 DBADRM CSCC(C)(C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591691527 1016575830 /nfs/dbraw/zinc/57/58/30/1016575830.db2.gz ANMQBKCQGRZVJA-UHFFFAOYSA-N -1 0 310.387 -0.036 20 0 DBADRM CS/C=C/C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001591693565 1016576049 /nfs/dbraw/zinc/57/60/49/1016576049.db2.gz MEQOGZMOVAEDAA-GORDUTHDSA-N -1 0 323.338 -0.878 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001433995825 1002155915 /nfs/dbraw/zinc/15/59/15/1002155915.db2.gz ZQLZARCBQLQUCN-ZCFIWIBFSA-N -1 0 305.294 -0.310 20 0 DBADRM CC(C)OCC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001591702270 1016578033 /nfs/dbraw/zinc/57/80/33/1016578033.db2.gz TXBAGMAUBQVZNE-IUCAKERBSA-N -1 0 313.310 -0.983 20 0 DBADRM O=C(NC1(CNC(=O)[C@@H]2CC23CC3)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001434004770 1002166289 /nfs/dbraw/zinc/16/62/89/1002166289.db2.gz CABQMEZUQFURMU-ZETCQYMHSA-N -1 0 319.321 -0.539 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@H](O)C2)cc1-c1nnn[n-]1 ZINC001591705620 1016578448 /nfs/dbraw/zinc/57/84/48/1016578448.db2.gz JEFBUOREJMLBQY-IZLXSQMJSA-N -1 0 322.350 -0.058 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001591705155 1016579025 /nfs/dbraw/zinc/57/90/25/1016579025.db2.gz PDBSHHBLAHIACQ-UWVGGRQHSA-N -1 0 322.383 -0.643 20 0 DBADRM CC(C)OCCS(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001591726968 1016580279 /nfs/dbraw/zinc/58/02/79/1016580279.db2.gz PMDKGSHGLRAXBX-VIFPVBQESA-N -1 0 311.356 -0.453 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001434043580 1002187663 /nfs/dbraw/zinc/18/76/63/1002187663.db2.gz SPIXGZNSNBEMEI-QWWZWVQMSA-N -1 0 309.204 -0.926 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001434054608 1002201709 /nfs/dbraw/zinc/20/17/09/1002201709.db2.gz FSNCEEFVWQEUKU-MRVPVSSYSA-N -1 0 323.353 -0.769 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001414139090 1002214340 /nfs/dbraw/zinc/21/43/40/1002214340.db2.gz DZHOLKLRSIBBGO-OPRDCNLKSA-N -1 0 323.353 -0.595 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001414139084 1002214625 /nfs/dbraw/zinc/21/46/25/1002214625.db2.gz DZHOLKLRSIBBGO-KXUCPTDWSA-N -1 0 323.353 -0.595 20 0 DBADRM C[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C[C@H](C)O1 ZINC001591774134 1016588805 /nfs/dbraw/zinc/58/88/05/1016588805.db2.gz VWXVDKYTLHJNKQ-SFYZADRCSA-N -1 0 321.341 -0.743 20 0 DBADRM COCC[C@](C)(O)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001414210406 1002256159 /nfs/dbraw/zinc/25/61/59/1002256159.db2.gz CPERXKNJYAXVRB-JTQLQIEISA-N -1 0 314.429 -0.130 20 0 DBADRM COCC[C@@](C)(O)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001414210408 1002258122 /nfs/dbraw/zinc/25/81/22/1002258122.db2.gz CPERXKNJYAXVRB-SNVBAGLBSA-N -1 0 314.429 -0.130 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC[C@@H]2CCCCO2)c(=O)n1C ZINC001591793827 1016593634 /nfs/dbraw/zinc/59/36/34/1016593634.db2.gz KMCZHQMZTMLINL-JTQLQIEISA-N -1 0 320.353 -0.005 20 0 DBADRM Cc1c(C(=O)NCc2n[nH]c(=O)[n-]2)cccc1-c1nn[nH]n1 ZINC001591809178 1016595096 /nfs/dbraw/zinc/59/50/96/1016595096.db2.gz KISLEANNQUNFME-UHFFFAOYSA-N -1 0 300.282 -0.071 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(Cc2ccns2)c(=O)n1C ZINC001591795570 1016595184 /nfs/dbraw/zinc/59/51/84/1016595184.db2.gz XXBLUYRMQAROLE-UHFFFAOYSA-N -1 0 305.323 -0.460 20 0 DBADRM Cc1c(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[nH]n2)cnn1C ZINC001591831419 1016595375 /nfs/dbraw/zinc/59/53/75/1016595375.db2.gz VUIGBCYPANHKSG-UHFFFAOYSA-N -1 0 309.315 -0.567 20 0 DBADRM Cn1[n-]c(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1=O ZINC001434123202 1002279807 /nfs/dbraw/zinc/27/98/07/1002279807.db2.gz DLFIKMOIOALPOV-GFCCVEGCSA-N -1 0 315.351 -0.845 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001414246587 1002282245 /nfs/dbraw/zinc/28/22/45/1002282245.db2.gz GAHRMVQWHIZQHK-DTWKUNHWSA-N -1 0 309.413 -0.393 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ncc[n-]1 ZINC001414252902 1002286643 /nfs/dbraw/zinc/28/66/43/1002286643.db2.gz XPGBWVWTLMIRGU-IUCAKERBSA-N -1 0 322.412 -0.594 20 0 DBADRM CC(C)(C)[C@H](O)C[C@@H](CO)[N-]S(=O)(=O)N=S(C)(C)=O ZINC001414254276 1002288237 /nfs/dbraw/zinc/28/82/37/1002288237.db2.gz ABMYOQAZVVOESO-DTWKUNHWSA-N -1 0 316.445 -0.294 20 0 DBADRM C[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)C1(S(C)(=O)=O)CC1 ZINC001414259415 1002289237 /nfs/dbraw/zinc/28/92/37/1002289237.db2.gz VPYPLIGMOGRTNA-ZETCQYMHSA-N -1 0 318.442 -0.486 20 0 DBADRM C[C@H]1C[C@H](CS(=O)(=O)NCCc2nc(=O)o[n-]2)CCO1 ZINC001414262954 1002289645 /nfs/dbraw/zinc/28/96/45/1002289645.db2.gz HZNMXADCNWLWOH-DTWKUNHWSA-N -1 0 305.356 -0.360 20 0 DBADRM CC(=O)NCC(=O)N[C@]1(C)CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001434154056 1002294064 /nfs/dbraw/zinc/29/40/64/1002294064.db2.gz SYDLASAYSYZMNH-CQSZACIVSA-N -1 0 323.353 -0.719 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001591820348 1016598556 /nfs/dbraw/zinc/59/85/56/1016598556.db2.gz ARGRVMVQFJNHPF-VIFPVBQESA-N -1 0 321.351 -0.572 20 0 DBADRM CO[C@H](C)C(=O)NCc1cc(=O)[nH]c(CNC(=O)C2CC2)n1 ZINC001414268802 1002300636 /nfs/dbraw/zinc/30/06/36/1002300636.db2.gz OJNVCKBVMVQNPI-MRVPVSSYSA-N -1 0 308.338 -0.141 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CCN1C(C)=O ZINC001414275426 1002303016 /nfs/dbraw/zinc/30/30/16/1002303016.db2.gz OSSUJFRJWZXXTL-GXSJLCMTSA-N -1 0 323.353 -0.269 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NO[C@H](CO)C(C)C ZINC001591835672 1016599827 /nfs/dbraw/zinc/59/98/27/1016599827.db2.gz PMELEHDDOLUGJH-SECBINFHSA-N -1 0 322.325 -0.046 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCCCOCCO ZINC001591835605 1016599884 /nfs/dbraw/zinc/59/98/84/1016599884.db2.gz GMYWYFRQNZJWOR-UHFFFAOYSA-N -1 0 322.325 -0.595 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCC[S@](=O)CC(F)(F)F ZINC001434170633 1002304301 /nfs/dbraw/zinc/30/43/01/1002304301.db2.gz DGXAEYPSGWXTOW-FQEVSTJZSA-N -1 0 313.305 -0.050 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCc1ccncn1 ZINC001591835332 1016599928 /nfs/dbraw/zinc/59/99/28/1016599928.db2.gz GZPGVDGPFKZVAE-UHFFFAOYSA-N -1 0 312.293 -0.004 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CC[C@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001591844781 1016600789 /nfs/dbraw/zinc/60/07/89/1016600789.db2.gz OQYHKBDXHXOHPB-ZYHUDNBSSA-N -1 0 322.365 -0.126 20 0 DBADRM CC(C)[C@@H](O)C(=O)NC[C@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001591846734 1016601009 /nfs/dbraw/zinc/60/10/09/1016601009.db2.gz USKITOIOWKMYEH-VHSXEESVSA-N -1 0 312.326 -0.919 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1C[C@H](O)[C@@H](C)C1 ZINC001591835218 1016601653 /nfs/dbraw/zinc/60/16/53/1016601653.db2.gz OYOYHJQTCKIOAM-CBAPKCEASA-N -1 0 304.310 -0.271 20 0 DBADRM CSCC[C@H](NC(=O)C[C@@H](C)NC(N)=O)c1nnn[n-]1 ZINC001434202834 1002316720 /nfs/dbraw/zinc/31/67/20/1002316720.db2.gz XPTKJNFVUYVCLQ-RQJHMYQMSA-N -1 0 301.376 -0.443 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@@H](CCSC)c1nnn[n-]1 ZINC001434201807 1002318109 /nfs/dbraw/zinc/31/81/09/1002318109.db2.gz PRSDTHJSLIHYGU-JGVFFNPUSA-N -1 0 317.371 -0.576 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NOC(C)(C)CO ZINC001591835888 1016602108 /nfs/dbraw/zinc/60/21/08/1016602108.db2.gz YVSSFLMMKJTRPA-UHFFFAOYSA-N -1 0 308.298 -0.292 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)c1cccc(C(N)=O)n1)C(=O)[O-] ZINC001591877788 1016608558 /nfs/dbraw/zinc/60/85/58/1016608558.db2.gz RIIYQNLZNGVTCX-NSHDSACASA-N -1 0 323.305 -0.437 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCS(=O)(=O)C(C)(C)C1)C(=O)[O-] ZINC001591870381 1016603429 /nfs/dbraw/zinc/60/34/29/1016603429.db2.gz KZPFGNPFCMDEEM-NSHDSACASA-N -1 0 320.411 -0.279 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@H]1CCN(C)C(=O)C1)C(=O)[O-] ZINC001591871625 1016603558 /nfs/dbraw/zinc/60/35/58/1016603558.db2.gz GBPLVLZMWFWTJP-CABZTGNLSA-N -1 0 314.338 -0.377 20 0 DBADRM CCC(=O)N1CC[C@@](C)(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001434224396 1002331455 /nfs/dbraw/zinc/33/14/55/1002331455.db2.gz VKDKQQSYCAYHHM-ZDUSSCGKSA-N -1 0 311.342 -0.546 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)[N-][C@H](C(=O)OC)[C@@H](C)O)CC1 ZINC001414331594 1002331841 /nfs/dbraw/zinc/33/18/41/1002331841.db2.gz QTYMOTBIAKCOFQ-SCZZXKLOSA-N -1 0 323.367 -0.829 20 0 DBADRM Cc1ccc(C(=O)NCCC(=O)N(C)c2nnn[n-]2)c(O)c1 ZINC001434232485 1002333749 /nfs/dbraw/zinc/33/37/49/1002333749.db2.gz ROOUJDJMUYSETG-UHFFFAOYSA-N -1 0 304.310 -0.003 20 0 DBADRM CN(C(=O)C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1nnn[n-]1 ZINC001434233088 1002334692 /nfs/dbraw/zinc/33/46/92/1002334692.db2.gz XROBOQUOLHSNIP-MRVPVSSYSA-N -1 0 323.334 -0.213 20 0 DBADRM C[C@@H](O)[C@@H](O)CNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001434237794 1002334831 /nfs/dbraw/zinc/33/48/31/1002334831.db2.gz ANRMKVMDHYKYFR-SVRRBLITSA-N -1 0 324.255 -0.070 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001591872550 1016604785 /nfs/dbraw/zinc/60/47/85/1016604785.db2.gz PQKJSYOSDOFCOO-CBAPKCEASA-N -1 0 309.340 -0.812 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC001434249749 1002345636 /nfs/dbraw/zinc/34/56/36/1002345636.db2.gz NPWNLEMPUVVMAN-JTQLQIEISA-N -1 0 308.342 -0.972 20 0 DBADRM O=C(COc1ccc(CO)cc1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001434275405 1002352217 /nfs/dbraw/zinc/35/22/17/1002352217.db2.gz NVVSFFUNQMZBOF-LBPRGKRZSA-N -1 0 319.321 -0.329 20 0 DBADRM O=C([C@@H]1CCCCS1(=O)=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001434278573 1002355394 /nfs/dbraw/zinc/35/53/94/1002355394.db2.gz WHHNGKYEYKNQEE-IUCAKERBSA-N -1 0 315.355 -0.933 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2ccn(C)n2)c1[O-] ZINC001425743510 1002362132 /nfs/dbraw/zinc/36/21/32/1002362132.db2.gz PMXUWRFQVXTCNU-JTQLQIEISA-N -1 0 308.342 -0.962 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N[C@H](CO)c2cnn(C)c2)n1 ZINC001591892253 1016610731 /nfs/dbraw/zinc/61/07/31/1016610731.db2.gz UAADWYXTGIMCGS-SNVBAGLBSA-N -1 0 301.314 -0.156 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H](CO)CC1CCOCC1 ZINC001425749892 1002372308 /nfs/dbraw/zinc/37/23/08/1002372308.db2.gz FAGXDLNOTPCRDN-LLVKDONJSA-N -1 0 312.374 -0.338 20 0 DBADRM CCO[C@H]1C[C@](O)(CNC(=O)N=c2nn[n-]n2CC)C1(C)C ZINC001414446288 1002373530 /nfs/dbraw/zinc/37/35/30/1002373530.db2.gz JFHYYPPMRQSUCW-ZANVPECISA-N -1 0 312.374 -0.198 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCc1nnc2n1CCCCC2 ZINC001414445829 1002373598 /nfs/dbraw/zinc/37/35/98/1002373598.db2.gz BDQXVBCCNVRWOP-UHFFFAOYSA-N -1 0 319.373 -0.203 20 0 DBADRM COCCn1ncc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)c1C ZINC001434314156 1002373813 /nfs/dbraw/zinc/37/38/13/1002373813.db2.gz FFAMOZJHXCLSAI-JTQLQIEISA-N -1 0 305.342 -0.019 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCc2nc(COC)ncc2C1 ZINC001414446330 1002376052 /nfs/dbraw/zinc/37/60/52/1002376052.db2.gz KRGRTUJTSGVQQL-UHFFFAOYSA-N -1 0 318.341 -0.359 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCS(=O)(=O)c1ccccc1 ZINC001414448729 1002376277 /nfs/dbraw/zinc/37/62/77/1002376277.db2.gz VQQUPQOPYPGQGV-UHFFFAOYSA-N -1 0 324.366 -0.290 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H](O)COc1cccc(F)c1 ZINC001414448770 1002376718 /nfs/dbraw/zinc/37/67/18/1002376718.db2.gz XANDCJCEFARQIN-SNVBAGLBSA-N -1 0 324.316 -0.185 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H]2CCS(=O)(=O)C2)n1 ZINC001591883468 1016611974 /nfs/dbraw/zinc/61/19/74/1016611974.db2.gz OGWWAFDSORAIMO-SECBINFHSA-N -1 0 323.382 -0.164 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001425753912 1002379399 /nfs/dbraw/zinc/37/93/99/1002379399.db2.gz JLDFXNMBJJOTOB-OKILXGFUSA-N -1 0 324.385 -0.506 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCC[C@@H]1CCCS1(=O)=O ZINC001434325191 1002381867 /nfs/dbraw/zinc/38/18/67/1002381867.db2.gz YJUTVVYVXYQALZ-VIFPVBQESA-N -1 0 301.372 -0.394 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCC[C@H](S(C)(=O)=O)C2)n1 ZINC001591887397 1016612620 /nfs/dbraw/zinc/61/26/20/1016612620.db2.gz AZHQDSQZWRBDCC-VIFPVBQESA-N -1 0 323.382 -0.021 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NCC2(S(N)(=O)=O)CC2)n1 ZINC001591895022 1016612642 /nfs/dbraw/zinc/61/26/42/1016612642.db2.gz MTLYSVXMCHUJNG-UHFFFAOYSA-N -1 0 310.343 -0.802 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NC[C@H]2CCCS2(=O)=O)n1 ZINC001591896798 1016613125 /nfs/dbraw/zinc/61/31/25/1016613125.db2.gz VNNFJDPMWUUECJ-MRVPVSSYSA-N -1 0 309.355 -0.046 20 0 DBADRM O=C(NC[C@H](CO)NCc1nccs1)c1cnc[nH]c1=O ZINC001425767444 1002400127 /nfs/dbraw/zinc/40/01/27/1002400127.db2.gz FLZRGSNSZSZVFU-MRVPVSSYSA-N -1 0 309.351 -0.481 20 0 DBADRM CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)N=c3nn[n-]n3CC)C[C@@H]21 ZINC001425770603 1002405411 /nfs/dbraw/zinc/40/54/11/1002405411.db2.gz ZMMBIEWETUSJAK-KXUCPTDWSA-N -1 0 308.342 -0.222 20 0 DBADRM O=C(N[C@@H]1CCOC[C@H]1O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001434349167 1002407041 /nfs/dbraw/zinc/40/70/41/1002407041.db2.gz LSLOMLIOKXBAOB-RKDXNWHRSA-N -1 0 306.278 -0.684 20 0 DBADRM NC(=O)c1ccc(CC(=O)NC2(c3nnn[n-]3)CCC2)cn1 ZINC001434359753 1002413446 /nfs/dbraw/zinc/41/34/46/1002413446.db2.gz LYWGUHOJIXOGIS-UHFFFAOYSA-N -1 0 301.310 -0.568 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001434364389 1002416424 /nfs/dbraw/zinc/41/64/24/1002416424.db2.gz HRLGUFIGGOQNBD-VHSXEESVSA-N -1 0 309.374 -0.182 20 0 DBADRM O=C(NC[C@@H]1COCCO1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001414542114 1002420876 /nfs/dbraw/zinc/42/08/76/1002420876.db2.gz KNEAXEJTQZKCFJ-NXEZZACHSA-N -1 0 311.342 -0.185 20 0 DBADRM Cc1cc(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)no1 ZINC001591965285 1016618417 /nfs/dbraw/zinc/61/84/17/1016618417.db2.gz QOBZSICDBPEKBL-ZETCQYMHSA-N -1 0 303.286 -0.368 20 0 DBADRM Cc1cc(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)no1 ZINC001591965283 1016620589 /nfs/dbraw/zinc/62/05/89/1016620589.db2.gz QOBZSICDBPEKBL-SSDOTTSWSA-N -1 0 303.286 -0.368 20 0 DBADRM CC(C)c1cc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])n(C)n1 ZINC001591925569 1016620874 /nfs/dbraw/zinc/62/08/74/1016620874.db2.gz BYVCBAJYDPICCY-NSHDSACASA-N -1 0 308.338 -0.089 20 0 DBADRM CC(C)CC(=O)NCC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001495437439 1016621501 /nfs/dbraw/zinc/62/15/01/1016621501.db2.gz WNRKERXIGWPPCR-MRVPVSSYSA-N -1 0 311.342 -0.047 20 0 DBADRM CCOC(=O)[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001434398809 1002445009 /nfs/dbraw/zinc/44/50/09/1002445009.db2.gz HUHRVCHUMLKTQI-VIFPVBQESA-N -1 0 319.321 -0.517 20 0 DBADRM CN1CC[C@@H](NC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC001414618412 1002462478 /nfs/dbraw/zinc/46/24/78/1002462478.db2.gz NZZDYPIPBXTUPT-DTWKUNHWSA-N -1 0 308.342 -0.370 20 0 DBADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001434423152 1002464970 /nfs/dbraw/zinc/46/49/70/1002464970.db2.gz VJKZOEMTNHKSOR-DTWKUNHWSA-N -1 0 307.306 -0.009 20 0 DBADRM Nc1nc2nc(CN3CCS[C@H]4COCC[C@@H]43)cc(=O)n2[n-]1 ZINC001434462678 1002480605 /nfs/dbraw/zinc/48/06/05/1002480605.db2.gz MNROJQRBKAWRED-UWVGGRQHSA-N -1 0 322.394 -0.294 20 0 DBADRM NS(=O)(=O)c1cccc2c1CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001434483185 1002496628 /nfs/dbraw/zinc/49/66/28/1002496628.db2.gz JLRRCANHSBWFCS-UHFFFAOYSA-N -1 0 309.351 -0.284 20 0 DBADRM CC(C)n1ncnc1CNC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001592169684 1016630729 /nfs/dbraw/zinc/63/07/29/1016630729.db2.gz OZQLVTXEYKMEOJ-JOYOIKCWSA-N -1 0 316.383 -0.164 20 0 DBADRM CC(C)n1cc(CN2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001592126930 1016631124 /nfs/dbraw/zinc/63/11/24/1016631124.db2.gz PCNRFCNJDWWXGG-RYUDHWBXSA-N -1 0 307.354 -0.120 20 0 DBADRM CC(C)n1cnc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC001592145719 1016631180 /nfs/dbraw/zinc/63/11/80/1016631180.db2.gz RZPLACXUOJKOOQ-QMMMGPOBSA-N -1 0 311.298 -0.891 20 0 DBADRM Cc1ccc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)c(C)n1 ZINC001592171771 1016631203 /nfs/dbraw/zinc/63/12/03/1016631203.db2.gz OGSHFSWCRPTOGP-UHFFFAOYSA-N -1 0 313.321 -0.213 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNS(=O)(=O)c1ncc[n-]1 ZINC001434544322 1002516589 /nfs/dbraw/zinc/51/65/89/1002516589.db2.gz FKZMJUOXFKTFJI-UHFFFAOYSA-N -1 0 310.401 -0.594 20 0 DBADRM O=S(=O)(N[C@@H]1CCS(=O)(=O)C1)c1cc([O-])cc(F)c1 ZINC001434545462 1002516784 /nfs/dbraw/zinc/51/67/84/1002516784.db2.gz IBYJGISTLUQVDT-MRVPVSSYSA-N -1 0 309.340 -0.003 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CCn1ncnn1 ZINC001434556935 1002525205 /nfs/dbraw/zinc/52/52/05/1002525205.db2.gz LYJGLURGLMJRKS-GOSISDBHSA-N -1 0 310.405 -0.596 20 0 DBADRM CC(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)c1cn[nH]n1 ZINC001414749788 1002530602 /nfs/dbraw/zinc/53/06/02/1002530602.db2.gz IYYLNCSPTDWYRI-CABZTGNLSA-N -1 0 322.369 -0.560 20 0 DBADRM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001414749785 1002530826 /nfs/dbraw/zinc/53/08/26/1002530826.db2.gz IYYLNCSPTDWYRI-BXKDBHETSA-N -1 0 322.369 -0.560 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)Cn1nnc2ccccc2c1=O ZINC001592203213 1016634896 /nfs/dbraw/zinc/63/48/96/1016634896.db2.gz YNZVCVXABVAUMF-NMTCXDENSA-N -1 0 302.290 -0.063 20 0 DBADRM CNC(=O)[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(C)C ZINC001434569899 1002534554 /nfs/dbraw/zinc/53/45/54/1002534554.db2.gz RARPCNIHZHMRKB-VIFPVBQESA-N -1 0 311.429 -0.147 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)NCc1nc(=O)o[n-]1 ZINC001434573026 1002536598 /nfs/dbraw/zinc/53/65/98/1002536598.db2.gz HIPGEVKWZZPLND-UHFFFAOYSA-N -1 0 303.271 -0.011 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC(C)(CO)CO ZINC001434572125 1002537519 /nfs/dbraw/zinc/53/75/19/1002537519.db2.gz HCOFOJVVVSBORS-GOSISDBHSA-N -1 0 316.445 -0.292 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001592200441 1016635469 /nfs/dbraw/zinc/63/54/69/1016635469.db2.gz HDEFGFIPYDHWDY-LZCWPNQWSA-N -1 0 304.368 -0.197 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC001592190941 1016635475 /nfs/dbraw/zinc/63/54/75/1016635475.db2.gz HHHXJQOLIOCPFQ-YAJNLLPGSA-N -1 0 316.339 -0.934 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)CN(C)c1ncnc2nc[nH]c21 ZINC001592192543 1016635919 /nfs/dbraw/zinc/63/59/19/1016635919.db2.gz NVJFMUFKXRBTNG-VEMNSZJBSA-N -1 0 304.310 -0.065 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H]1COC[C@H]1OC ZINC001434578295 1002541567 /nfs/dbraw/zinc/54/15/67/1002541567.db2.gz JOCFOPNHGVUIEH-RKDXNWHRSA-N -1 0 305.308 -0.242 20 0 DBADRM Cc1cccnc1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592264144 1016637516 /nfs/dbraw/zinc/63/75/16/1016637516.db2.gz RGDAKYBQCQIHQP-UHFFFAOYSA-N -1 0 314.313 -0.017 20 0 DBADRM C[C@@H](CC(=O)NCCN(C)c1ncc(C(=O)[O-])cn1)NC(N)=O ZINC001592255036 1016637554 /nfs/dbraw/zinc/63/75/54/1016637554.db2.gz WIMLOVYSMLINGZ-QMMMGPOBSA-N -1 0 324.341 -0.826 20 0 DBADRM C[C@@H](CC(=O)N[C@H](Cn1cncn1)C(=O)[O-])c1cnn(C)c1 ZINC001592247032 1016637583 /nfs/dbraw/zinc/63/75/83/1016637583.db2.gz XYMYPEHTKLZMLA-GXSJLCMTSA-N -1 0 306.326 -0.225 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001434613521 1002553691 /nfs/dbraw/zinc/55/36/91/1002553691.db2.gz RXVPVMDKYZVEKY-IUCAKERBSA-N -1 0 305.381 -0.535 20 0 DBADRM C[C@@H](CC(=O)N(C)CCNc1ncc(C(=O)[O-])cn1)NC(N)=O ZINC001592226427 1016637959 /nfs/dbraw/zinc/63/79/59/1016637959.db2.gz XDJXOOQOBOSYCL-QMMMGPOBSA-N -1 0 324.341 -0.508 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC001592220699 1016639026 /nfs/dbraw/zinc/63/90/26/1016639026.db2.gz ZUQXINWYSKDWRY-SKRYNEFJSA-N -1 0 303.278 -0.413 20 0 DBADRM C[C@H](CC(=O)N[C@H](Cn1cncn1)C(=O)[O-])c1cnn(C)c1 ZINC001592247034 1016639137 /nfs/dbraw/zinc/63/91/37/1016639137.db2.gz XYMYPEHTKLZMLA-MWLCHTKSSA-N -1 0 306.326 -0.225 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccncc1 ZINC001592291849 1016641711 /nfs/dbraw/zinc/64/17/11/1016641711.db2.gz XWEHVMUSRGMZHH-XPTSAGLGSA-N -1 0 320.305 -0.514 20 0 DBADRM Cc1cnc(CNC[C@@H](O)CN(C)C(=O)c2n[nH]c(C)c2[O-])o1 ZINC001425990340 1002605528 /nfs/dbraw/zinc/60/55/28/1002605528.db2.gz ZBWFMQQWLXGCGG-SNVBAGLBSA-N -1 0 323.353 -0.057 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592326342 1016646595 /nfs/dbraw/zinc/64/65/95/1016646595.db2.gz WOSOXWSGDPGCRG-UHFFFAOYSA-N -1 0 316.329 -0.843 20 0 DBADRM Cc1n[nH]c(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)c1C ZINC001592326635 1016647317 /nfs/dbraw/zinc/64/73/17/1016647317.db2.gz VXQMLLUMJMKJSB-QMMMGPOBSA-N -1 0 316.329 -0.324 20 0 DBADRM Cc1nc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1-c1nn[nH]n1 ZINC001592346697 1016651674 /nfs/dbraw/zinc/65/16/74/1016651674.db2.gz QGYIKFZGSGRBBO-SNVBAGLBSA-N -1 0 318.293 -0.504 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(Cc3ncnn3C)CC2)c1[O-] ZINC001434859655 1002650715 /nfs/dbraw/zinc/65/07/15/1002650715.db2.gz QSXAUBMCNXTEAY-UHFFFAOYSA-N -1 0 305.342 -0.490 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)CCc1cn[nH]n1 ZINC001436323451 1002672204 /nfs/dbraw/zinc/67/22/04/1002672204.db2.gz OWGIWLDCPRORCB-SNVBAGLBSA-N -1 0 320.357 -0.706 20 0 DBADRM C[C@@H](OC(=O)[C@@H](C)CC(=O)[O-])C(=O)N1CCC(C(N)=O)CC1 ZINC001592367290 1016654551 /nfs/dbraw/zinc/65/45/51/1016654551.db2.gz MCXIUMJHJWPLLZ-DTWKUNHWSA-N -1 0 314.338 -0.247 20 0 DBADRM CN(C[C@@H]1CCN1CCF)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001436326024 1002677411 /nfs/dbraw/zinc/67/74/11/1002677411.db2.gz ZMNOKPCHLOOGGT-VIFPVBQESA-N -1 0 313.333 -0.282 20 0 DBADRM Cc1nc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)c(C)o1 ZINC001592363097 1016655064 /nfs/dbraw/zinc/65/50/64/1016655064.db2.gz VTNUODACEMBXPQ-UHFFFAOYSA-N -1 0 303.282 -0.620 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001415120228 1002679239 /nfs/dbraw/zinc/67/92/39/1002679239.db2.gz SJAFIFMTMIEVLG-SECBINFHSA-N -1 0 309.326 -0.892 20 0 DBADRM Cc1nc(C(=O)OCc2n[nH]c(=O)[n-]2)ccc1-c1nn[nH]n1 ZINC001592352963 1016655186 /nfs/dbraw/zinc/65/51/86/1016655186.db2.gz ZXDKQKLIMVTVJN-UHFFFAOYSA-N -1 0 302.254 -0.249 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001415120233 1002680861 /nfs/dbraw/zinc/68/08/61/1002680861.db2.gz SJAFIFMTMIEVLG-VIFPVBQESA-N -1 0 309.326 -0.892 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)OCC(=O)N1CCC(C(N)=O)CC1 ZINC001592403006 1016658874 /nfs/dbraw/zinc/65/88/74/1016658874.db2.gz SDCDUYKAXVRXKW-VIFPVBQESA-N -1 0 314.338 -0.246 20 0 DBADRM CC(C)C(=O)N[C@H](C)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001415164185 1002712423 /nfs/dbraw/zinc/71/24/23/1002712423.db2.gz GQJHDIYVLOWRPH-SECBINFHSA-N -1 0 305.338 -0.087 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)C2=CCS(=O)(=O)C2)CC1 ZINC001592406251 1016660453 /nfs/dbraw/zinc/66/04/53/1016660453.db2.gz QFSCLTLIVOSODC-SNVBAGLBSA-N -1 0 316.379 -0.651 20 0 DBADRM Cc1ncc(Cn2c(=O)c(-c3nnn[n-]3)c(C)n(C)c2=O)o1 ZINC001592410602 1016660683 /nfs/dbraw/zinc/66/06/83/1016660683.db2.gz VZVMLBMZXQTGOK-UHFFFAOYSA-N -1 0 303.282 -0.620 20 0 DBADRM C[C@@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)NC(=O)C1CC1 ZINC001415195599 1002734670 /nfs/dbraw/zinc/73/46/70/1002734670.db2.gz FHUDVPYIXRZHLY-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001592427632 1016664064 /nfs/dbraw/zinc/66/40/64/1016664064.db2.gz MDDMSBBPFMIWDG-UHFFFAOYSA-N -1 0 315.297 -0.238 20 0 DBADRM Cc1ncsc1Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC001592425880 1016665100 /nfs/dbraw/zinc/66/51/00/1016665100.db2.gz KOBXWTIVJCJHAI-UHFFFAOYSA-N -1 0 305.323 -0.460 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001592451515 1016667376 /nfs/dbraw/zinc/66/73/76/1016667376.db2.gz DWBHNLCSTLMWMU-SCZZXKLOSA-N -1 0 321.337 -0.619 20 0 DBADRM Cc1nn(CCO[C@@H]2CCOC2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592436826 1016667598 /nfs/dbraw/zinc/66/75/98/1016667598.db2.gz BGXJMFTWHQCCGN-SNVBAGLBSA-N -1 0 306.326 -0.154 20 0 DBADRM Cc1nnc(CN(C)C(=O)Cn2cnc(-c3nnn[n-]3)n2)s1 ZINC001592442383 1016668479 /nfs/dbraw/zinc/66/84/79/1016668479.db2.gz HTMWNNWVHDEZFD-UHFFFAOYSA-N -1 0 320.342 -0.723 20 0 DBADRM Cc1nn(CCCN2CCOC2=O)c(=O)c(-c2nnn[n-]2)c1C ZINC001592437265 1016669963 /nfs/dbraw/zinc/66/99/63/1016669963.db2.gz QDCNMQYAXLTGCF-UHFFFAOYSA-N -1 0 319.325 -0.117 20 0 DBADRM Cc1nn(C[C@H](O)CC(C)(C)O)c(=O)c(-c2nnn[n-]2)c1C ZINC001592436614 1016671083 /nfs/dbraw/zinc/67/10/83/1016671083.db2.gz WGFWRMOXXYAOCK-SECBINFHSA-N -1 0 308.342 -0.438 20 0 DBADRM Cc1noc([C@@H](C)NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001592457075 1016672687 /nfs/dbraw/zinc/67/26/87/1016672687.db2.gz UHDKGXPICPAKAQ-PHDIDXHHSA-N -1 0 318.301 -0.412 20 0 DBADRM C[C@@H](CNC(=O)C(C)(C)C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001415266719 1002789118 /nfs/dbraw/zinc/78/91/18/1002789118.db2.gz BGYXVNYTBQRPDW-QMMMGPOBSA-N -1 0 310.354 -0.234 20 0 DBADRM C[C@H](CCCCNc1ncc(C(=O)[O-])cn1)NC(=O)C(N)=O ZINC001592484716 1016673067 /nfs/dbraw/zinc/67/30/67/1016673067.db2.gz FOIOJGGHJRIBKU-MRVPVSSYSA-N -1 0 309.326 -0.253 20 0 DBADRM Cc1noc(C[N-]S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)n1 ZINC001592462162 1016675101 /nfs/dbraw/zinc/67/51/01/1016675101.db2.gz GPABKASEDSYEMM-UHFFFAOYSA-N -1 0 322.310 -0.568 20 0 DBADRM C[C@H](NC(=O)CCCF)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001426466358 1002806572 /nfs/dbraw/zinc/80/65/72/1002806572.db2.gz FCLNITPYXMQWSA-BQBZGAKWSA-N -1 0 315.305 -0.345 20 0 DBADRM C[C@@](CCF)(NC(=O)C1=NN(CCO)C(=O)CC1)C(=O)[O-] ZINC001592490263 1016677038 /nfs/dbraw/zinc/67/70/38/1016677038.db2.gz ADXBDNGLYUWUGW-LBPRGKRZSA-N -1 0 303.290 -0.724 20 0 DBADRM C[C@](CCF)(NC(=O)c1coc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001592497383 1016677187 /nfs/dbraw/zinc/67/71/87/1016677187.db2.gz HVGYFXZKRLVZCZ-SNVBAGLBSA-N -1 0 308.287 -0.140 20 0 DBADRM C[C@@](CCF)(NC(=O)c1coc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001592497382 1016678359 /nfs/dbraw/zinc/67/83/59/1016678359.db2.gz HVGYFXZKRLVZCZ-JTQLQIEISA-N -1 0 308.287 -0.140 20 0 DBADRM C[C@@](CCF)(NC(=O)c1ccnc(S(C)(=O)=O)n1)C(=O)[O-] ZINC001592497954 1016678544 /nfs/dbraw/zinc/67/85/44/1016678544.db2.gz RDTJKHTYEHVNHN-NSHDSACASA-N -1 0 319.314 -0.187 20 0 DBADRM C[C@@H](CCCNc1ccnc(C(=O)[O-])n1)NC(=O)c1cn[nH]n1 ZINC001592487563 1016678586 /nfs/dbraw/zinc/67/85/86/1016678586.db2.gz ORRIVMRRSMVFNH-QMMMGPOBSA-N -1 0 319.325 -0.275 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(C)C ZINC001415412543 1002828285 /nfs/dbraw/zinc/82/82/85/1002828285.db2.gz MXYYSCUVVSSANE-SSDOTTSWSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@H](CCNC(=O)CCCF)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415416525 1002830006 /nfs/dbraw/zinc/83/00/06/1002830006.db2.gz HFORZIGJPJZDNC-SSDOTTSWSA-N -1 0 315.305 -0.343 20 0 DBADRM C[C@@H](CCNC(=O)Cn1ccnc1)Nc1ccnc(C(=O)[O-])n1 ZINC001592513702 1016681484 /nfs/dbraw/zinc/68/14/84/1016681484.db2.gz RHEWHAXHHTXPAY-JTQLQIEISA-N -1 0 318.337 -0.200 20 0 DBADRM C[C@H](CCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)[S@@](C)=O ZINC001592512914 1016682058 /nfs/dbraw/zinc/68/20/58/1016682058.db2.gz JLIVAXSCNNYQAN-QONUSYMYSA-N -1 0 318.395 -0.417 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@@H](C)n2cncn2)c1[O-] ZINC001415482944 1002856582 /nfs/dbraw/zinc/85/65/82/1002856582.db2.gz WQMGJFCRJYLYJQ-SECBINFHSA-N -1 0 321.341 -0.535 20 0 DBADRM C[C@H](CCNC(=O)c1cncn1C)Nc1ccnc(C(=O)[O-])n1 ZINC001592521577 1016685270 /nfs/dbraw/zinc/68/52/70/1016685270.db2.gz WGVFVAVYDKMSEG-SECBINFHSA-N -1 0 318.337 -0.049 20 0 DBADRM C[C@H](CCO)NC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001592529199 1016685364 /nfs/dbraw/zinc/68/53/64/1016685364.db2.gz ARSMUYCEMMVBFQ-SSDOTTSWSA-N -1 0 324.289 -0.061 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)CCc2cn[nH]c2)c1[O-] ZINC001415510393 1002866879 /nfs/dbraw/zinc/86/68/79/1002866879.db2.gz NVKFIMTYCBMRMI-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)Cc2cncn2C)c1[O-] ZINC001415557856 1002880648 /nfs/dbraw/zinc/88/06/48/1002880648.db2.gz AUNXCDJTAQVMNR-UHFFFAOYSA-N -1 0 320.353 -0.412 20 0 DBADRM Cc1occc1C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415570940 1002885398 /nfs/dbraw/zinc/88/53/98/1002885398.db2.gz QUGRAGIWAPYXAY-UHFFFAOYSA-N -1 0 323.309 -0.521 20 0 DBADRM Cn1c(=O)[nH]c(N2OC3CCC2CC3)c(-c2nnn[n-]2)c1=O ZINC001592544242 1016688304 /nfs/dbraw/zinc/68/83/04/1016688304.db2.gz PNNAABDJOLTAIE-UHFFFAOYSA-N -1 0 305.298 -0.684 20 0 DBADRM C[C@@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001592531193 1016688503 /nfs/dbraw/zinc/68/85/03/1016688503.db2.gz USBYPDTUUNKCJK-WPRPVWTQSA-N -1 0 321.337 -0.240 20 0 DBADRM Cn1c(=O)[nH]c(N2CCC[C@H]2C2CC2)c(-c2nnn[n-]2)c1=O ZINC001592543241 1016688710 /nfs/dbraw/zinc/68/87/10/1016688710.db2.gz HSIIWQHKCMEWPN-QMMMGPOBSA-N -1 0 303.326 -0.368 20 0 DBADRM Cn1c(-c2c[nH]nc2-c2nnn[n-]2)nnc1N1CCOCC1 ZINC001592544336 1016688903 /nfs/dbraw/zinc/68/89/03/1016688903.db2.gz ZBJWVCCUCMFKOY-UHFFFAOYSA-N -1 0 302.302 -0.778 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H]2CO[C@@H](C3CC3)C2)c(-c2nnn[n-]2)c1=O ZINC001592546142 1016688929 /nfs/dbraw/zinc/68/89/29/1016688929.db2.gz KQEGRNXYSPWUCO-HTQZYQBOSA-N -1 0 319.325 -0.355 20 0 DBADRM CCC(=O)NC[C@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001426798927 1002892795 /nfs/dbraw/zinc/89/27/95/1002892795.db2.gz ANWFGZXVDXIWNX-DTORHVGOSA-N -1 0 308.338 -0.480 20 0 DBADRM Cn1c(=O)[nH]c(S[C@H]2CCCOC2)c(-c2nnn[n-]2)c1=O ZINC001592545217 1016689133 /nfs/dbraw/zinc/68/91/33/1016689133.db2.gz PODMDCHDQCHYRS-LURJTMIESA-N -1 0 310.339 -0.475 20 0 DBADRM C[C@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H](C)CC(N)=O ZINC001592531533 1016689253 /nfs/dbraw/zinc/68/92/53/1016689253.db2.gz YXEPNPJNBYECLT-RKDXNWHRSA-N -1 0 323.353 -0.007 20 0 DBADRM Cn1c(=O)[nH]c(N2CC[C@H](C3CC3)C2)c(-c2nnn[n-]2)c1=O ZINC001592543403 1016689451 /nfs/dbraw/zinc/68/94/51/1016689451.db2.gz JTMXZCMMMSHCKX-QMMMGPOBSA-N -1 0 303.326 -0.510 20 0 DBADRM Cn1c(=O)[nH]c(N2CCC[C@@](C)(F)C2)c(-c2nnn[n-]2)c1=O ZINC001592543329 1016689550 /nfs/dbraw/zinc/68/95/50/1016689550.db2.gz IJQLNPGOXBUSBI-GFCCVEGCSA-N -1 0 309.305 -0.418 20 0 DBADRM Cn1c(=O)[nH]c(NCCC2CSC2)c(-c2nnn[n-]2)c1=O ZINC001592545597 1016690031 /nfs/dbraw/zinc/69/00/31/1016690031.db2.gz GBZJMVMTAUDVJR-UHFFFAOYSA-N -1 0 309.355 -0.169 20 0 DBADRM Cn1c(=O)[nH]c(N2C[C@@H]3CCC[C@@H]3C2)c(-c2nnn[n-]2)c1=O ZINC001592544278 1016690187 /nfs/dbraw/zinc/69/01/87/1016690187.db2.gz RYFXKULCYCBCDS-OCAPTIKFSA-N -1 0 303.326 -0.510 20 0 DBADRM Cn1c(=O)[nH]c(NCCOC(F)(F)F)c(-c2nnn[n-]2)c1=O ZINC001592546579 1016690313 /nfs/dbraw/zinc/69/03/13/1016690313.db2.gz PAPDVVNWXBIJPQ-UHFFFAOYSA-N -1 0 321.219 -0.386 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@](C)(O)C(F)(F)F)c1=O ZINC001592557649 1016696074 /nfs/dbraw/zinc/69/60/74/1016696074.db2.gz AJLRVLJFJGAPOK-VIFPVBQESA-N -1 0 320.231 -0.960 20 0 DBADRM Cn1c(=O)[nH]c(NCCC[C@@H]2CCOC2)c(-c2nnn[n-]2)c1=O ZINC001592546681 1016692538 /nfs/dbraw/zinc/69/25/38/1016692538.db2.gz RFQXISGKEXPEGF-MRVPVSSYSA-N -1 0 321.341 -0.105 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2CCC[C@H]2CCO)c(-c2nnn[n-]2)c1=O ZINC001592546912 1016693692 /nfs/dbraw/zinc/69/36/92/1016693692.db2.gz VZKZNHFLIOSBIN-JGVFFNPUSA-N -1 0 321.341 -0.371 20 0 DBADRM Cn1c(=O)[nH]c(NCC[C@H]2CCCO2)c(-c2nnn[n-]2)c1=O ZINC001592546891 1016694621 /nfs/dbraw/zinc/69/46/21/1016694621.db2.gz URBUWSQCGSZNEJ-SSDOTTSWSA-N -1 0 307.314 -0.353 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@H]2C(F)F)n(C)c1=O ZINC001592553711 1016695563 /nfs/dbraw/zinc/69/55/63/1016695563.db2.gz WQMCZJWRIURJOR-YFKPBYRVSA-N -1 0 313.268 -0.892 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCOC(C)(C)C)n(C)c1=O ZINC001592555046 1016696360 /nfs/dbraw/zinc/69/63/60/1016696360.db2.gz BHQHMEVBJJYKBV-UHFFFAOYSA-N -1 0 323.357 -0.509 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCC2CCCC2)n(C)c1=O ZINC001592555097 1016696823 /nfs/dbraw/zinc/69/68/23/1016696823.db2.gz CPGAZYIVCSHPFK-UHFFFAOYSA-N -1 0 305.342 -0.134 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1C[C@H](O)CN1c1ccncn1)C(=O)[O-] ZINC001592570098 1016707279 /nfs/dbraw/zinc/70/72/79/1016707279.db2.gz ZRSKXYAPYQPXSM-VWYCJHECSA-N -1 0 308.338 -0.405 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(S[C@H]2CCOC2)n(C)c1=O ZINC001592556995 1016698023 /nfs/dbraw/zinc/69/80/23/1016698023.db2.gz UJBBZHSIGCFDHU-LURJTMIESA-N -1 0 310.339 -0.855 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccccc2F)c1=O ZINC001592558073 1016698050 /nfs/dbraw/zinc/69/80/50/1016698050.db2.gz MFOJWYWEFJRJPU-UHFFFAOYSA-N -1 0 302.269 -0.086 20 0 DBADRM Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)CC2(F)CC2)n1 ZINC001592560207 1016699867 /nfs/dbraw/zinc/69/98/67/1016699867.db2.gz SFZKTMMNVRPTDW-UHFFFAOYSA-N -1 0 301.307 -0.156 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001592563675 1016700117 /nfs/dbraw/zinc/70/01/17/1016700117.db2.gz BUTGPUQQFIFBJZ-DTWKUNHWSA-N -1 0 323.353 -0.633 20 0 DBADRM Cn1cc(C(C)(C)NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cn1 ZINC001592566235 1016700757 /nfs/dbraw/zinc/70/07/57/1016700757.db2.gz JYGWPCPDCFWKJZ-UHFFFAOYSA-N -1 0 316.329 -0.757 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001592569111 1016706147 /nfs/dbraw/zinc/70/61/47/1016706147.db2.gz BZNNVSOYNVNGBL-VHSXEESVSA-N -1 0 308.338 -0.108 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592574148 1016706255 /nfs/dbraw/zinc/70/62/55/1016706255.db2.gz LDHGTMITVXRWNK-YUMQZZPRSA-N -1 0 324.341 -0.510 20 0 DBADRM C[C@H](CN(C)C(=O)CCNC(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592568299 1016707461 /nfs/dbraw/zinc/70/74/61/1016707461.db2.gz ORTAEBYOOZYIBL-MRVPVSSYSA-N -1 0 324.341 -0.508 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)CCS(C)(=O)=O)c1[O-] ZINC001437459628 1003010100 /nfs/dbraw/zinc/01/01/00/1003010100.db2.gz UYGSICJFNTZQBU-UHFFFAOYSA-N -1 0 304.372 -0.870 20 0 DBADRM Cn1cnc(CNC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)n1 ZINC001592587707 1016710775 /nfs/dbraw/zinc/71/07/75/1016710775.db2.gz LYDKJOKDHXIOPW-UHFFFAOYSA-N -1 0 300.282 -0.369 20 0 DBADRM CC(=O)NCC(=O)NCCN(C(=O)c1n[nH]c(C)c1[O-])C1CC1 ZINC001415830644 1003023779 /nfs/dbraw/zinc/02/37/79/1003023779.db2.gz YFTVSTCQBIPHMP-UHFFFAOYSA-N -1 0 323.353 -0.719 20 0 DBADRM Cn1cncc1CNS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001592590022 1016713500 /nfs/dbraw/zinc/71/35/00/1016713500.db2.gz DYECUKCUAURNHR-UHFFFAOYSA-N -1 0 320.338 -0.526 20 0 DBADRM C[C@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1CCC(=O)N1 ZINC001592589062 1016714749 /nfs/dbraw/zinc/71/47/49/1016714749.db2.gz UVGHTTQAESLGQY-RKDXNWHRSA-N -1 0 321.337 -0.606 20 0 DBADRM C[C@@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)c1cnnn1C ZINC001592593423 1016714996 /nfs/dbraw/zinc/71/49/96/1016714996.db2.gz GPDCPEXHILHHQE-QMMMGPOBSA-N -1 0 319.325 -0.442 20 0 DBADRM CO[C@H](C)C(=O)NC1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001415977092 1003062417 /nfs/dbraw/zinc/06/24/17/1003062417.db2.gz XUHDJNWZVLTWQS-SSDOTTSWSA-N -1 0 320.305 -0.096 20 0 DBADRM CCN(C)C(=O)CN(CC)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001437588501 1003078238 /nfs/dbraw/zinc/07/82/38/1003078238.db2.gz KZMGJYNWJBUMJT-UHFFFAOYSA-N -1 0 311.386 -0.046 20 0 DBADRM C[C@H](CN1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O)S(C)(=O)=O ZINC001592610899 1016727057 /nfs/dbraw/zinc/72/70/57/1016727057.db2.gz LCRKAHTZICVFGU-HLTSFMKQSA-N -1 0 318.351 -0.453 20 0 DBADRM Cc1nc2ncnn2c(C)c1CCC(=O)N(C)c1nnn[n-]1 ZINC001437669920 1003126767 /nfs/dbraw/zinc/12/67/67/1003126767.db2.gz YTRUOIFQWCZCHX-UHFFFAOYSA-N -1 0 301.314 -0.150 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)Cn1cccn1 ZINC001592625016 1016731756 /nfs/dbraw/zinc/73/17/56/1016731756.db2.gz PISPUNILABITKE-IJLUTSLNSA-N -1 0 322.365 -0.043 20 0 DBADRM CCC(=O)N1CC(CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001416106414 1003184358 /nfs/dbraw/zinc/18/43/58/1003184358.db2.gz WQFIQNFQSWFLDO-UHFFFAOYSA-N -1 0 309.326 -0.800 20 0 DBADRM C[C@H](CNC(=O)C1(C(N)=O)CC1)CNc1ccnc(C(=O)[O-])n1 ZINC001592641057 1016733405 /nfs/dbraw/zinc/73/34/05/1016733405.db2.gz UCFJARDUCFULSZ-QMMMGPOBSA-N -1 0 321.337 -0.974 20 0 DBADRM C[C@H](CNC(=O)[C@@H](C)n1cncn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592636570 1016733444 /nfs/dbraw/zinc/73/34/44/1016733444.db2.gz ZOLIVEWHXVRYQX-RKDXNWHRSA-N -1 0 319.325 -0.634 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CNC(=O)N1)CNc1ncc(C(=O)[O-])cn1 ZINC001592647247 1016733699 /nfs/dbraw/zinc/73/36/99/1016733699.db2.gz CCNRNVGNNJXIGG-VXNVDRBHSA-N -1 0 322.325 -0.980 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)C(=O)[O-] ZINC001592636458 1016733736 /nfs/dbraw/zinc/73/37/36/1016733736.db2.gz WKXIASVXQWIMNW-MRVPVSSYSA-N -1 0 318.293 -0.562 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1COC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001592647985 1016733780 /nfs/dbraw/zinc/73/37/80/1016733780.db2.gz SYCDILBLKOJAGO-SVRRBLITSA-N -1 0 309.282 -0.800 20 0 DBADRM CC1(C)C[C@H]1C(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001416109876 1003189304 /nfs/dbraw/zinc/18/93/04/1003189304.db2.gz YLGVLASHNODQAJ-VIFPVBQESA-N -1 0 323.353 -0.690 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1COCCO1)CNc1ccnc(C(=O)[O-])n1 ZINC001592647911 1016734089 /nfs/dbraw/zinc/73/40/89/1016734089.db2.gz QVRAPHVNYIVOEN-NXEZZACHSA-N -1 0 324.337 -0.824 20 0 DBADRM C[C@H](CNC(=O)[C@H]1COC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001592647983 1016734759 /nfs/dbraw/zinc/73/47/59/1016734759.db2.gz SYCDILBLKOJAGO-HTRCEHHLSA-N -1 0 309.282 -0.800 20 0 DBADRM C[C@@H](CNC(=O)Cc1ccn(C)n1)Nc1ccnc(C(=O)[O-])n1 ZINC001592653530 1016736462 /nfs/dbraw/zinc/73/64/62/1016736462.db2.gz GTHNMEIWGGQJLO-VIFPVBQESA-N -1 0 318.337 -0.511 20 0 DBADRM C[C@H](CN(C)C(=O)C1(C)CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001427574887 1003211442 /nfs/dbraw/zinc/21/14/42/1003211442.db2.gz ALAHWQPXDJMYJY-SECBINFHSA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@H](CNC(=O)Cc1cnn(C)c1)Nc1ccnc(C(=O)[O-])n1 ZINC001592654603 1016737681 /nfs/dbraw/zinc/73/76/81/1016737681.db2.gz LIRJQELDUMAIRP-SECBINFHSA-N -1 0 318.337 -0.511 20 0 DBADRM C[C@@H](CNC(=O)CS(C)(=O)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592653648 1016738036 /nfs/dbraw/zinc/73/80/36/1016738036.db2.gz JZGJLZNRKBQUOH-ZETCQYMHSA-N -1 0 316.339 -0.864 20 0 DBADRM C[C@H](CNC(=O)CN1CCCC1=O)Nc1ccnc(C(=O)[O-])n1 ZINC001592651404 1016738134 /nfs/dbraw/zinc/73/81/34/1016738134.db2.gz XHEYRAQXBIWXBL-SECBINFHSA-N -1 0 321.337 -0.864 20 0 DBADRM C[C@@H](CNC(=O)CCc1ocnc1C(=O)[O-])S(C)(=O)=O ZINC001592651002 1016738321 /nfs/dbraw/zinc/73/83/21/1016738321.db2.gz QVJPFAHZUPDDJA-ZETCQYMHSA-N -1 0 304.324 -0.145 20 0 DBADRM CCC(=O)N[C@H](C)CN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001427622450 1003229730 /nfs/dbraw/zinc/22/97/30/1003229730.db2.gz VLUUYDARDZXMQV-MRVPVSSYSA-N -1 0 311.342 -0.412 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)c2n[nH]nc2C)c1[O-] ZINC001427644787 1003240647 /nfs/dbraw/zinc/24/06/47/1003240647.db2.gz LBCTZARVLXNWHM-ZCFIWIBFSA-N -1 0 321.341 -0.259 20 0 DBADRM CCCCC(=O)N[C@@H](C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001427650829 1003243803 /nfs/dbraw/zinc/24/38/03/1003243803.db2.gz YEYHRNGWDQGTEI-VIFPVBQESA-N -1 0 313.358 -0.157 20 0 DBADRM CCn1ncc(Cl)c1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001597957668 1017218562 /nfs/dbraw/zinc/21/85/62/1017218562.db2.gz BIJHZQOHZRPMOH-QMMMGPOBSA-N -1 0 314.729 -0.076 20 0 DBADRM C[C@@H](CNC(=O)c1nnc[n-]1)CNc1cc[nH+]c(C(=O)[O-])n1 ZINC001592705296 1016749954 /nfs/dbraw/zinc/74/99/54/1016749954.db2.gz FODHIAPGSNOARP-SSDOTTSWSA-N -1 0 305.298 -0.807 20 0 DBADRM C[C@H](CNC(=O)c1ccn(C)n1)CNc1ccnc(C(=O)[O-])n1 ZINC001592701868 1016750073 /nfs/dbraw/zinc/75/00/73/1016750073.db2.gz SNOSLIHHZPXSPO-VIFPVBQESA-N -1 0 318.337 -0.192 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)Cc2nnc[nH]2)c1[O-] ZINC001427714980 1003281556 /nfs/dbraw/zinc/28/15/56/1003281556.db2.gz WWHWMSWDMYEPJD-ZETCQYMHSA-N -1 0 321.341 -0.639 20 0 DBADRM O=C(CC1CC1)NC[C@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001416407860 1003318413 /nfs/dbraw/zinc/31/84/13/1003318413.db2.gz OBWPIYYBOAOHCM-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@@H](O)CCCN1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001438080541 1003342828 /nfs/dbraw/zinc/34/28/28/1003342828.db2.gz YBAPSNUBPWBFJS-SNVBAGLBSA-N -1 0 319.365 -0.402 20 0 DBADRM C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)Nc1ccnc(C(=O)[O-])n1 ZINC001592701132 1016753622 /nfs/dbraw/zinc/75/36/22/1016753622.db2.gz KZTFXUPIJJVNQH-ZETCQYMHSA-N -1 0 318.293 -0.677 20 0 DBADRM O=C(CCc1cscn1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438097107 1003348617 /nfs/dbraw/zinc/34/86/17/1003348617.db2.gz LIJMCGMHVCXABH-UHFFFAOYSA-N -1 0 308.367 -0.100 20 0 DBADRM NC(=O)C1CCN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CC1 ZINC001592720215 1016762989 /nfs/dbraw/zinc/76/29/89/1016762989.db2.gz HAJMUSANEOAITD-UHFFFAOYSA-N -1 0 316.321 -0.090 20 0 DBADRM CCCNC(=O)CCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438199200 1003375607 /nfs/dbraw/zinc/37/56/07/1003375607.db2.gz JRNJLBDSFONUFX-JTQLQIEISA-N -1 0 324.385 -0.493 20 0 DBADRM CN(CCN(C)C(=O)C1(C)CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001416669084 1003378319 /nfs/dbraw/zinc/37/83/19/1003378319.db2.gz WQSVLCSBANMSMT-UHFFFAOYSA-N -1 0 309.326 -0.387 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1cn(C)cn1 ZINC001592728902 1016773299 /nfs/dbraw/zinc/77/32/99/1016773299.db2.gz HLEGRGQZLSTDLM-SECBINFHSA-N -1 0 318.337 -0.097 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)C1=COCCO1 ZINC001592730545 1016774689 /nfs/dbraw/zinc/77/46/89/1016774689.db2.gz VSWJPNAMJMWEBB-VIFPVBQESA-N -1 0 322.321 -0.256 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001592730029 1016775139 /nfs/dbraw/zinc/77/51/39/1016775139.db2.gz QPMKFJUMQXRIEO-BDAKNGLRSA-N -1 0 321.337 -0.866 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC2(C)C)c1[O-] ZINC001427932832 1003477228 /nfs/dbraw/zinc/47/72/28/1003477228.db2.gz XJVDZWWATUPLID-RKDXNWHRSA-N -1 0 310.354 -0.323 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)N(C)C(=O)CCNC(N)=O ZINC001592730744 1016777712 /nfs/dbraw/zinc/77/77/12/1016777712.db2.gz ZIFCLPBQNZIDIR-MRVPVSSYSA-N -1 0 324.341 -0.508 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001592735638 1016782080 /nfs/dbraw/zinc/78/20/80/1016782080.db2.gz XPDHHKSSZHPLGT-KYZUINATSA-N -1 0 302.342 -0.218 20 0 DBADRM CC(CO)(CO)CNC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001592733805 1016782543 /nfs/dbraw/zinc/78/25/43/1016782543.db2.gz GDVDCGQEPIIUIS-UHFFFAOYSA-N -1 0 303.340 -0.117 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001592734201 1016782657 /nfs/dbraw/zinc/78/26/57/1016782657.db2.gz SPOJMIOUOGPXQD-VHSXEESVSA-N -1 0 309.384 -0.460 20 0 DBADRM CC(C)(C)c1cc(C(=O)N[C@@](C)(CO)C(=O)[O-])nc2ncnn21 ZINC001592738652 1016784408 /nfs/dbraw/zinc/78/44/08/1016784408.db2.gz FDQAXQIDWCVFJH-AWEZNQCLSA-N -1 0 321.337 -0.013 20 0 DBADRM C[C@@](CO)(NC(=O)CCN1C(=O)COc2ccccc21)C(=O)[O-] ZINC001592740706 1016784962 /nfs/dbraw/zinc/78/49/62/1016784962.db2.gz ADOREXVIOADBGT-HNNXBMFYSA-N -1 0 322.317 -0.246 20 0 DBADRM C[C@@](CO)(NC(=O)[C@H]1Cc2cc(F)ccc2NC1=O)C(=O)[O-] ZINC001592741088 1016785729 /nfs/dbraw/zinc/78/57/29/1016785729.db2.gz FQHXXEUKTHOMNF-XPTSAGLGSA-N -1 0 310.281 -0.112 20 0 DBADRM CC(C)(C)C(=O)NC[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001428006013 1003547811 /nfs/dbraw/zinc/54/78/11/1003547811.db2.gz QDYPGYHTWUAZPF-QMMMGPOBSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@](CO)(NC(=O)c1cccc(CS(C)(=O)=O)c1)C(=O)[O-] ZINC001592744578 1016788765 /nfs/dbraw/zinc/78/87/65/1016788765.db2.gz MSWGGBMXFIKFMG-CYBMUJFWSA-N -1 0 315.347 -0.203 20 0 DBADRM C[C@](CO)(NC(=O)c1cccc(Cn2ccnn2)c1)C(=O)[O-] ZINC001592744098 1016789646 /nfs/dbraw/zinc/78/96/46/1016789646.db2.gz HTHLHZAIUZNJIZ-CQSZACIVSA-N -1 0 304.306 -0.108 20 0 DBADRM C[C@](CO)(NC(=O)c1cc2c([nH]c1=O)CCCC2=O)C(=O)[O-] ZINC001592745354 1016789658 /nfs/dbraw/zinc/78/96/58/1016789658.db2.gz SRQZBAVVRIGCEJ-CQSZACIVSA-N -1 0 308.290 -0.128 20 0 DBADRM C[C@](CO)(NC(=O)c1ccc(Cn2ccnn2)cc1)C(=O)[O-] ZINC001592745923 1016789790 /nfs/dbraw/zinc/78/97/90/1016789790.db2.gz YCFFJIVTQPABBX-CQSZACIVSA-N -1 0 304.306 -0.108 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@H]2CCCC(=O)N2)c1[O-] ZINC001416823990 1003568684 /nfs/dbraw/zinc/56/86/84/1003568684.db2.gz HTBOHTNDUFOAIA-VXNVDRBHSA-N -1 0 323.353 -0.673 20 0 DBADRM Nc1c(-c2nn[nH]n2)cnn1C([O-])=CC(=O)NCC(F)(F)F ZINC001592753502 1016795509 /nfs/dbraw/zinc/79/55/09/1016795509.db2.gz AQCJIPPCHAPLTO-UHFFFAOYSA-N -1 0 318.219 -0.646 20 0 DBADRM CCC1(C(=O)N[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001416856343 1003598302 /nfs/dbraw/zinc/59/83/02/1003598302.db2.gz MLTVZADAUKNJHL-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H](C(N)=O)c1ccc(F)cc1)C(=O)[O-] ZINC001592800312 1016804556 /nfs/dbraw/zinc/80/45/56/1016804556.db2.gz LIBYLKLKGNSIJK-GMSGAONNSA-N -1 0 318.326 -0.008 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-] ZINC001592756882 1016798472 /nfs/dbraw/zinc/79/84/72/1016798472.db2.gz ZDODVJZHOVEVRP-LBPRGKRZSA-N -1 0 315.303 -0.529 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)CC1CCC1 ZINC001416880978 1003615432 /nfs/dbraw/zinc/61/54/32/1003615432.db2.gz GUFDLTHSSDDJQN-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)CCC1CC1 ZINC001416883193 1003621443 /nfs/dbraw/zinc/62/14/43/1003621443.db2.gz ZAQQABUQPFWWOI-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@@H](CS(=O)(=O)Cc1nc(N)nc(N(C)C)n1)C(=O)[O-] ZINC001592788227 1016800103 /nfs/dbraw/zinc/80/01/03/1016800103.db2.gz QCDPJUNGFMEKAW-LURJTMIESA-N -1 0 303.344 -0.845 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)C2=COCCO2)c1[O-] ZINC001416885049 1003623578 /nfs/dbraw/zinc/62/35/78/1003623578.db2.gz NZRKWXXQRAJJDK-ZETCQYMHSA-N -1 0 310.310 -0.454 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@H]2COCCO2)c1[O-] ZINC001416885078 1003624476 /nfs/dbraw/zinc/62/44/76/1003624476.db2.gz PQEANKRSRVHUAM-IONNQARKSA-N -1 0 312.326 -0.926 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)C(=O)[O-] ZINC001592789511 1016801924 /nfs/dbraw/zinc/80/19/24/1016801924.db2.gz IJZCFUPRNCYSDH-HFKOZYHYSA-N -1 0 318.351 -0.979 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC2(CNC(=O)N2C)CC1)C(=O)[O-] ZINC001592797767 1016802312 /nfs/dbraw/zinc/80/23/12/1016802312.db2.gz HFMVGSUTOABXMR-VIFPVBQESA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[N@H+](CC(=O)[O-])CC1)C(=O)[O-] ZINC001592797769 1016802504 /nfs/dbraw/zinc/80/25/04/1016802504.db2.gz HIAIFLSXDLJUFN-SECBINFHSA-N -1 0 308.356 -0.871 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCCS(=O)(=O)C[C@H]1C)C(=O)[O-] ZINC001592798886 1016802851 /nfs/dbraw/zinc/80/28/51/1016802851.db2.gz QZLPRIMASJHVGL-RKDXNWHRSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@@H](CS(=O)(=O)N1C[C@@H](O)CC2(CCOCC2)C1)C(=O)[O-] ZINC001592789522 1016803059 /nfs/dbraw/zinc/80/30/59/1016803059.db2.gz ITINZKIIUKJWIZ-QWRGUYRKSA-N -1 0 321.395 -0.100 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-])C1CC1 ZINC001592789306 1016803260 /nfs/dbraw/zinc/80/32/60/1016803260.db2.gz DSPFGHXWOQHPJG-WCBMZHEXSA-N -1 0 304.368 -0.411 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1)C(=O)[O-] ZINC001592799461 1016803676 /nfs/dbraw/zinc/80/36/76/1016803676.db2.gz CQDSOUZOKHBEDX-PTRXPTGYSA-N -1 0 304.368 -0.376 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@H](C1CC1)[C@]1(CO)CCCO1)C(=O)[O-] ZINC001592807194 1016803750 /nfs/dbraw/zinc/80/37/50/1016803750.db2.gz LKNPZPRPDXWHOQ-IRUJWGPZSA-N -1 0 321.395 -0.053 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)C(=O)[O-] ZINC001592807177 1016803849 /nfs/dbraw/zinc/80/38/49/1016803849.db2.gz LCIUBVULGAMUSB-OPRDCNLKSA-N -1 0 311.400 -0.216 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@@H](C(N)=O)c1ccc(F)cc1)C(=O)[O-] ZINC001592800314 1016803860 /nfs/dbraw/zinc/80/38/60/1016803860.db2.gz LIBYLKLKGNSIJK-OIBJUYFYSA-N -1 0 318.326 -0.008 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN(CC(C)(C)O)C[C@H]1C)C(=O)[O-] ZINC001592800077 1016804064 /nfs/dbraw/zinc/80/40/64/1016804064.db2.gz IPWSCIPMAHMLBJ-GHMZBOCLSA-N -1 0 322.427 -0.186 20 0 DBADRM C[C@@H](CS(=O)(=O)NC[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001592808694 1016805625 /nfs/dbraw/zinc/80/56/25/1016805625.db2.gz MJGYZHWXMQGODN-IUCAKERBSA-N -1 0 313.397 -0.549 20 0 DBADRM O=C(C[C@@H]1C=CS(=O)(=O)C1)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001592812595 1016805669 /nfs/dbraw/zinc/80/56/69/1016805669.db2.gz IZBQTOKYKSLYOF-LURJTMIESA-N -1 0 309.311 -0.523 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001592815604 1016806263 /nfs/dbraw/zinc/80/62/63/1016806263.db2.gz JYBJRRKZFFFIEU-MRVPVSSYSA-N -1 0 303.340 -0.527 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001592815120 1016806401 /nfs/dbraw/zinc/80/64/01/1016806401.db2.gz BVYATUFTAJSHBN-ZYUZMQFOSA-N -1 0 307.368 -0.244 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001592814531 1016806429 /nfs/dbraw/zinc/80/64/29/1016806429.db2.gz SZJPEEPMKHURPL-ZJUUUORDSA-N -1 0 306.384 -0.858 20 0 DBADRM C[C@@H](CS(=O)(=O)NC[C@@H]1COC2(CCOCC2)O1)C(=O)[O-] ZINC001592810551 1016806464 /nfs/dbraw/zinc/80/64/64/1016806464.db2.gz YIHIZDKMUNTUJZ-VHSXEESVSA-N -1 0 323.367 -0.451 20 0 DBADRM C[C@@H](CS(=O)(=O)NCc1ccc(CC(N)=O)cc1)C(=O)[O-] ZINC001592816230 1016806716 /nfs/dbraw/zinc/80/67/16/1016806716.db2.gz MOUMIPGDNINEEZ-VIFPVBQESA-N -1 0 314.363 -0.146 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001592822421 1016807424 /nfs/dbraw/zinc/80/74/24/1016807424.db2.gz MFRUSZYWHRUYLD-JBVZZFLPSA-N -1 0 318.395 -0.114 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001592822106 1016807794 /nfs/dbraw/zinc/80/77/94/1016807794.db2.gz FOQABHNQQCMDFR-QMMMGPOBSA-N -1 0 313.397 -0.406 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001592822908 1016807852 /nfs/dbraw/zinc/80/78/52/1016807852.db2.gz WKCVQPFGDZRHOO-DYCLVXDSSA-N -1 0 304.368 -0.807 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001416917069 1003680176 /nfs/dbraw/zinc/68/01/76/1003680176.db2.gz ZZHHQRMDOJYUHG-HRDYMLBCSA-N -1 0 323.353 -0.508 20 0 DBADRM O=C(CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)NC1CC1 ZINC001592870708 1016810109 /nfs/dbraw/zinc/81/01/09/1016810109.db2.gz YWAIOTAXCSJTSV-UHFFFAOYSA-N -1 0 302.294 -0.419 20 0 DBADRM O=C(CN1CCNCC1=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001592869235 1016810997 /nfs/dbraw/zinc/81/09/97/1016810997.db2.gz WSBGHEXRCWJODO-UHFFFAOYSA-N -1 0 319.300 -0.624 20 0 DBADRM C[C@@H](Cc1ccccc1F)NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001592897080 1016812493 /nfs/dbraw/zinc/81/24/93/1016812493.db2.gz ZWMTTXWUWNRMCZ-VIFPVBQESA-N -1 0 324.308 -0.469 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001416944654 1003709569 /nfs/dbraw/zinc/70/95/69/1003709569.db2.gz KCBDJNSFIYLFTL-DJLDLDEBSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C(Cc1[nH]c(O)nc1O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001592907425 1016814400 /nfs/dbraw/zinc/81/44/00/1016814400.db2.gz GBIKRVSKGQXKGD-LURJTMIESA-N -1 0 321.322 -0.858 20 0 DBADRM O=C(C[C@H]1CCCC[C@@H]1O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592907952 1016814951 /nfs/dbraw/zinc/81/49/51/1016814951.db2.gz QBTLIRMGHSGGMQ-ZJUUUORDSA-N -1 0 320.357 -0.484 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)CN1CCC(CO)CC1)C(=O)[O-] ZINC001592917287 1016815339 /nfs/dbraw/zinc/81/53/39/1016815339.db2.gz MTMRPWUATXUYFD-HNNXBMFYSA-N -1 0 324.381 -0.453 20 0 DBADRM O=C(Cn1cncc(-c2nnn[n-]2)c1=O)NCc1ccco1 ZINC001592941738 1016821027 /nfs/dbraw/zinc/82/10/27/1016821027.db2.gz SDGAQPNSWAEMME-UHFFFAOYSA-N -1 0 301.266 -0.667 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCc1cccs1 ZINC001592941097 1016821577 /nfs/dbraw/zinc/82/15/77/1016821577.db2.gz SKBSYPCUSWWAHV-UHFFFAOYSA-N -1 0 304.339 -0.121 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1CC2(CCC2)CO1 ZINC001592941051 1016822056 /nfs/dbraw/zinc/82/20/56/1016822056.db2.gz RBURGSBOYZMDGI-VIFPVBQESA-N -1 0 318.341 -0.466 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@H]1c1cc[nH]n1 ZINC001592940289 1016822253 /nfs/dbraw/zinc/82/22/53/1016822253.db2.gz XNKDNKUPBOOLJG-VIFPVBQESA-N -1 0 314.313 -0.455 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC1([C@H]2CCCO2)CCC1 ZINC001592940284 1016822424 /nfs/dbraw/zinc/82/24/24/1016822424.db2.gz XIKALXSTPHEUIW-SECBINFHSA-N -1 0 318.341 -0.324 20 0 DBADRM C[C@@H](Cn1cncn1)NS(=O)(=O)c1scnc1C(=O)[O-] ZINC001592929191 1016817103 /nfs/dbraw/zinc/81/71/03/1016817103.db2.gz FAWZIYILPHCNCJ-LURJTMIESA-N -1 0 317.352 -0.200 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001592925632 1016817620 /nfs/dbraw/zinc/81/76/20/1016817620.db2.gz GVUPZOZTPRCDIZ-MRVPVSSYSA-N -1 0 320.309 -0.542 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001592931425 1016818569 /nfs/dbraw/zinc/81/85/69/1016818569.db2.gz MHSCGTIMDRRUOS-KOLCDFICSA-N -1 0 323.353 -0.600 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001592931329 1016818667 /nfs/dbraw/zinc/81/86/67/1016818667.db2.gz ULRMAPBPYKCLMB-GMTAPVOTSA-N -1 0 308.338 -0.433 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001592931548 1016819345 /nfs/dbraw/zinc/81/93/45/1016819345.db2.gz XINYRNKXQJLCMZ-GHMZBOCLSA-N -1 0 324.337 -0.910 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001592931273 1016819505 /nfs/dbraw/zinc/81/95/05/1016819505.db2.gz LJNSSJZMHOLTQF-MWLCHTKSSA-N -1 0 311.342 -0.466 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CCC[C@@H]2C[C@@H]21 ZINC001592934919 1016819676 /nfs/dbraw/zinc/81/96/76/1016819676.db2.gz ZDNFQYZFCXQHLB-APPZFPTMSA-N -1 0 317.309 -0.860 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1C(=O)[C@H]1CC12CC2 ZINC001417054842 1003804414 /nfs/dbraw/zinc/80/44/14/1003804414.db2.gz UBXLQAPQQOVVDK-DTWKUNHWSA-N -1 0 321.337 -0.794 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001592981106 1016827810 /nfs/dbraw/zinc/82/78/10/1016827810.db2.gz OCXKEDUKUDXBSQ-MMWGEVLESA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001417103449 1003818597 /nfs/dbraw/zinc/81/85/97/1003818597.db2.gz SQAGOMGZUOHNRR-RQJHMYQMSA-N -1 0 307.310 -0.683 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cc(C2CC2)[nH]n1 ZINC001592941816 1016824154 /nfs/dbraw/zinc/82/41/54/1016824154.db2.gz LNYTUEJBDZNSLY-UHFFFAOYSA-N -1 0 300.286 -0.303 20 0 DBADRM O=C(N[C@@H](CO)c1ncc[nH]1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001592954436 1016824199 /nfs/dbraw/zinc/82/41/99/1016824199.db2.gz MZXNPWILIDDQAQ-VIFPVBQESA-N -1 0 315.293 -0.241 20 0 DBADRM C[C@@H](NC(=O)C(N)=O)[C@@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001592994211 1016828770 /nfs/dbraw/zinc/82/87/70/1016828770.db2.gz RXFRCHQAPMWBNM-RKDXNWHRSA-N -1 0 321.337 -0.619 20 0 DBADRM O=C(N[C@H](CO)c1ncc[nH]1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001592954435 1016824720 /nfs/dbraw/zinc/82/47/20/1016824720.db2.gz MZXNPWILIDDQAQ-SECBINFHSA-N -1 0 315.293 -0.241 20 0 DBADRM CS[C@@H](C)C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001428517192 1003851681 /nfs/dbraw/zinc/85/16/81/1003851681.db2.gz QNFODAIDDXUIKN-BQBZGAKWSA-N -1 0 317.371 -0.938 20 0 DBADRM CC(C)C(=O)NC[C@@]1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001417377251 1003871358 /nfs/dbraw/zinc/87/13/58/1003871358.db2.gz BOWSIGYSQMULQS-CQSZACIVSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001593011095 1016831092 /nfs/dbraw/zinc/83/10/92/1016831092.db2.gz NILYCYHPPKSBNR-LKFCYVNXSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@H](NC(=O)CCCC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC001593015704 1016831274 /nfs/dbraw/zinc/83/12/74/1016831274.db2.gz RZSWAYXUZOACHN-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC001417603941 1003896192 /nfs/dbraw/zinc/89/61/92/1003896192.db2.gz RYUNRTYJPFBWKQ-UHFFFAOYSA-N -1 0 322.369 -0.770 20 0 DBADRM CN(C)C(=O)c1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001417603848 1003896216 /nfs/dbraw/zinc/89/62/16/1003896216.db2.gz NPJZOYXOKFCVBW-UHFFFAOYSA-N -1 0 319.321 -0.293 20 0 DBADRM CCN(C(=O)c1c[n-]n2c1nccc2=O)[C@H]1CCS(=O)(=O)C1 ZINC001417606069 1003896325 /nfs/dbraw/zinc/89/63/25/1003896325.db2.gz XBWPQWXVWZNEFW-VIFPVBQESA-N -1 0 324.362 -0.328 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCCn2nncc2C1 ZINC001439304688 1003897692 /nfs/dbraw/zinc/89/76/92/1003897692.db2.gz ABDHUBBANULADN-UHFFFAOYSA-N -1 0 314.309 -0.905 20 0 DBADRM C[C@H](NC(=O)CN1CC(F)(F)C[C@H]1C(=O)[O-])C(=O)N(C)C ZINC001593026012 1016834115 /nfs/dbraw/zinc/83/41/15/1016834115.db2.gz QEDQAUJTKPSGBO-YUMQZZPRSA-N -1 0 307.297 -0.627 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]1CNC(=O)c1ccoc1 ZINC001417625560 1003912332 /nfs/dbraw/zinc/91/23/32/1003912332.db2.gz JUOZZDLEISCWFG-SECBINFHSA-N -1 0 321.293 -0.687 20 0 DBADRM C[C@@H](Nc1ncc(C(=O)[O-])cn1)[C@H](C)NC(=O)Cn1cncn1 ZINC001593050074 1016834726 /nfs/dbraw/zinc/83/47/26/1016834726.db2.gz JFYZCZJNSUXRQR-DTWKUNHWSA-N -1 0 319.325 -0.228 20 0 DBADRM CCN(C)C(=O)[C@H]1CSCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001417630221 1003917629 /nfs/dbraw/zinc/91/76/29/1003917629.db2.gz MBSXYCZYLZSSEW-ZCFIWIBFSA-N -1 0 313.339 -0.724 20 0 DBADRM CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001417630220 1003921074 /nfs/dbraw/zinc/92/10/74/1003921074.db2.gz MBSXYCZYLZSSEW-LURJTMIESA-N -1 0 313.339 -0.724 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001417633463 1003923847 /nfs/dbraw/zinc/92/38/47/1003923847.db2.gz GSQWCCUCMITBFP-WHFBIAKZSA-N -1 0 313.261 -0.961 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001592991379 1016830131 /nfs/dbraw/zinc/83/01/31/1016830131.db2.gz QKFJKNKCVGJDMR-IVZWLZJFSA-N -1 0 300.355 -0.026 20 0 DBADRM Cc1ncc(CN(C)C[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001439341619 1003935107 /nfs/dbraw/zinc/93/51/07/1003935107.db2.gz BEIBHYIRYRHJED-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001417643211 1003936112 /nfs/dbraw/zinc/93/61/12/1003936112.db2.gz RXVZSEMCUZXNRW-LURJTMIESA-N -1 0 316.339 -0.680 20 0 DBADRM C[C@H](NC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)c1nnc2n1CCC2 ZINC001593053792 1016835853 /nfs/dbraw/zinc/83/58/53/1016835853.db2.gz WHMASNQPXUXPCT-IVZWLZJFSA-N -1 0 323.353 -0.238 20 0 DBADRM C[C@@H](NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)c1ncn(C)n1 ZINC001593057093 1016835953 /nfs/dbraw/zinc/83/59/53/1016835953.db2.gz YLLQDJGXVAHPLT-SCZZXKLOSA-N -1 0 311.342 -0.257 20 0 DBADRM C[C@H](NC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)c1nnc2n1CCC2 ZINC001593053785 1016835975 /nfs/dbraw/zinc/83/59/75/1016835975.db2.gz WHMASNQPXUXPCT-AEJSXWLSSA-N -1 0 323.353 -0.238 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)C1N=NC(=O)N1C ZINC001593061761 1016836498 /nfs/dbraw/zinc/83/64/98/1016836498.db2.gz DFRJYNLTQAQFBW-JGVFFNPUSA-N -1 0 313.314 -0.533 20 0 DBADRM C[C@@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1nnc2ccccn21 ZINC001593051966 1016836811 /nfs/dbraw/zinc/83/68/11/1016836811.db2.gz OEEORDKFYVSJAI-MRVPVSSYSA-N -1 0 305.294 -0.369 20 0 DBADRM Cc1nn(C)c2c1N(C(=O)CCCn1c(=O)[n-][nH]c1=O)CCO2 ZINC001417674308 1003957022 /nfs/dbraw/zinc/95/70/22/1003957022.db2.gz ZDUXXSMJXRCYBB-UHFFFAOYSA-N -1 0 322.325 -0.063 20 0 DBADRM CN(C[C@H](O)CO)C(=O)c1ncc(Br)cc1[O-] ZINC001417680954 1003964742 /nfs/dbraw/zinc/96/47/42/1003964742.db2.gz GJCKFBDCWDGAML-ZETCQYMHSA-N -1 0 305.128 -0.025 20 0 DBADRM CN(CCC(=O)OC(C)(C)C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001417680793 1003964807 /nfs/dbraw/zinc/96/48/07/1003964807.db2.gz ZSEIATGZKUUCBF-UHFFFAOYSA-N -1 0 300.315 -0.121 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)C1CC(F)(F)C1 ZINC001593091487 1016841307 /nfs/dbraw/zinc/84/13/07/1016841307.db2.gz ZLWVFHFKMIFUBD-UHFFFAOYSA-N -1 0 324.295 -0.348 20 0 DBADRM CC(C)(C)CNC(=O)C(C)(C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001417684919 1003969104 /nfs/dbraw/zinc/96/91/04/1003969104.db2.gz BGEICMPYKDIAPG-UHFFFAOYSA-N -1 0 311.342 -0.047 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCCc2c1cnn2C ZINC001417685559 1003969971 /nfs/dbraw/zinc/96/99/71/1003969971.db2.gz YRCFIDCRLMLCIJ-SECBINFHSA-N -1 0 306.326 -0.041 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1COC2(CCCCC2)O1 ZINC001417693442 1003976543 /nfs/dbraw/zinc/97/65/43/1003976543.db2.gz NJAVOJSYEKDOPU-SECBINFHSA-N -1 0 312.326 -0.119 20 0 DBADRM O=C(NCCCn1ccnn1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001593083067 1016838618 /nfs/dbraw/zinc/83/86/18/1016838618.db2.gz WDBDZNZYMDFQFT-UHFFFAOYSA-N -1 0 314.309 -0.016 20 0 DBADRM C[C@H](NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)C(=O)N(C)C ZINC001593077675 1016838676 /nfs/dbraw/zinc/83/86/76/1016838676.db2.gz FFGGTRIXIQZFES-PKFCDNJMSA-N -1 0 313.354 -0.404 20 0 DBADRM CCc1noc(COCC(=O)N(C)C[C@@H](C)c2nnn[n-]2)n1 ZINC001417705083 1003987653 /nfs/dbraw/zinc/98/76/53/1003987653.db2.gz PQVNSLKYAOAJMU-MRVPVSSYSA-N -1 0 309.330 -0.076 20 0 DBADRM C[C@H](NC(=O)NCCC(=O)NCCC(=O)[O-])c1ccn(C)n1 ZINC001593088539 1016841342 /nfs/dbraw/zinc/84/13/42/1016841342.db2.gz JTIAIKASGSVSPD-VIFPVBQESA-N -1 0 311.342 -0.239 20 0 DBADRM O=C(NCCCOCCO)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001593078277 1016839448 /nfs/dbraw/zinc/83/94/48/1016839448.db2.gz LAEFTXKBTYRCQA-UHFFFAOYSA-N -1 0 307.310 -0.299 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001417715958 1003999430 /nfs/dbraw/zinc/99/94/30/1003999430.db2.gz WBCTURIYQGEWGG-RKDXNWHRSA-N -1 0 312.326 -0.121 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC001417719474 1004002641 /nfs/dbraw/zinc/00/26/41/1004002641.db2.gz IGCAMQWLRRSNIN-SFYZADRCSA-N -1 0 319.412 -0.503 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H](CO)Cc1ccncc1 ZINC001417719002 1004003005 /nfs/dbraw/zinc/00/30/05/1004003005.db2.gz QBZGXRIUTABPGO-LLVKDONJSA-N -1 0 321.337 -0.416 20 0 DBADRM C[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](C(N)=O)C1 ZINC001417721219 1004003904 /nfs/dbraw/zinc/00/39/04/1004003904.db2.gz MHBHLINIDNNRNR-RKDXNWHRSA-N -1 0 311.342 -0.418 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCC[C@@H](c3nnn[n-]3)C1)CC2 ZINC001417722036 1004006079 /nfs/dbraw/zinc/00/60/79/1004006079.db2.gz TVTUFYUPNGOMSV-NXEZZACHSA-N -1 0 316.369 -0.161 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)c1nccs1 ZINC001593091194 1016840931 /nfs/dbraw/zinc/84/09/31/1016840931.db2.gz WKFATJQLKHVDJA-UHFFFAOYSA-N -1 0 317.338 -0.623 20 0 DBADRM O=C(C[C@H]1CCCC[C@@H]1O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001417725991 1004007592 /nfs/dbraw/zinc/00/75/92/1004007592.db2.gz QVJSTRZNACCGDB-MNOVXSKESA-N -1 0 309.370 -0.049 20 0 DBADRM O=C(NCCc1ccc(-c2nn[nH]n2)cc1)c1n[nH]c(=O)[n-]1 ZINC001593105121 1016843931 /nfs/dbraw/zinc/84/39/31/1016843931.db2.gz VVILCCNVHXWOMT-UHFFFAOYSA-N -1 0 300.282 -0.337 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@H]1C[C@@]12CCOC2 ZINC001593110007 1016844171 /nfs/dbraw/zinc/84/41/71/1016844171.db2.gz QUNGQQHPTTXYTR-PRHODGIISA-N -1 0 304.314 -0.999 20 0 DBADRM C[C@H](NC(=O)Nc1nn(C)cc1C(=O)[O-])C(=O)NCCF ZINC001593124173 1016845034 /nfs/dbraw/zinc/84/50/34/1016845034.db2.gz GINHPFKVGUPCAS-LURJTMIESA-N -1 0 301.278 -0.286 20 0 DBADRM C[C@@](O)(CC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001439519784 1004027538 /nfs/dbraw/zinc/02/75/38/1004027538.db2.gz DEJNCSRZSZJZPR-QMTHXVAHSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C1(F)CCOCC1 ZINC001439526915 1004032602 /nfs/dbraw/zinc/03/26/02/1004032602.db2.gz LOXSIFVNSJAKAZ-VIFPVBQESA-N -1 0 313.333 -0.281 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@@H](O)c1ccccc1 ZINC001593112299 1016846200 /nfs/dbraw/zinc/84/62/00/1016846200.db2.gz MHEWCFBQSUPTBX-JTQLQIEISA-N -1 0 314.309 -0.692 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCOCC1 ZINC001593110457 1016846290 /nfs/dbraw/zinc/84/62/90/1016846290.db2.gz ZMEHSZRAPDFYGZ-SECBINFHSA-N -1 0 306.330 -0.609 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)Nc1ccnnc1 ZINC001593111883 1016846455 /nfs/dbraw/zinc/84/64/55/1016846455.db2.gz HJIQXAZCTREILB-UHFFFAOYSA-N -1 0 301.274 -0.930 20 0 DBADRM NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCc1nnn[n-]1 ZINC001417794013 1004041866 /nfs/dbraw/zinc/04/18/66/1004041866.db2.gz OPFRBTJDLLEVEN-SNVBAGLBSA-N -1 0 322.756 -0.002 20 0 DBADRM C[C@H]1CN(C(=O)c2nc[n-]c(=O)c2Br)CC(=O)N1 ZINC001417870840 1004078785 /nfs/dbraw/zinc/07/87/85/1004078785.db2.gz DUKOUUBMBHBIDH-YFKPBYRVSA-N -1 0 315.127 -0.095 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@H]1CCN1CC(N)=O ZINC001439577279 1004054086 /nfs/dbraw/zinc/05/40/86/1004054086.db2.gz BYYVTOJRIKMTSV-SSDOTTSWSA-N -1 0 324.303 -0.881 20 0 DBADRM CCn1ccnc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001439609221 1004069402 /nfs/dbraw/zinc/06/94/02/1004069402.db2.gz KSOLGNNDGOROIO-UHFFFAOYSA-N -1 0 305.342 -0.221 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@H]1CCCSC1 ZINC001593110062 1016842884 /nfs/dbraw/zinc/84/28/84/1016842884.db2.gz RVERIIFAJOGUBZ-QMMMGPOBSA-N -1 0 308.371 -0.282 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC001593106443 1016843703 /nfs/dbraw/zinc/84/37/03/1016843703.db2.gz ARWMNDIXILJFPO-UHFFFAOYSA-N -1 0 319.256 -0.345 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001417878555 1004082177 /nfs/dbraw/zinc/08/21/77/1004082177.db2.gz QAYXMQPYBDTOCN-ZETCQYMHSA-N -1 0 320.396 -0.505 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001417882406 1004087690 /nfs/dbraw/zinc/08/76/90/1004087690.db2.gz XHRKRODVOCCAHI-LLVKDONJSA-N -1 0 320.357 -0.530 20 0 DBADRM C[C@@H](NC(=O)c1cnn(C)c1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593185536 1016852282 /nfs/dbraw/zinc/85/22/82/1016852282.db2.gz ZQDNHTKHICYQCU-DTWKUNHWSA-N -1 0 318.337 -0.051 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1cc(=O)cc[nH]1 ZINC001417889539 1004090335 /nfs/dbraw/zinc/09/03/35/1004090335.db2.gz IRZZXYAQADRXDT-UHFFFAOYSA-N -1 0 300.278 -0.924 20 0 DBADRM CN(C(=O)CCc1ccco1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001439713117 1004095141 /nfs/dbraw/zinc/09/51/41/1004095141.db2.gz CQHZCUCRNHXCOM-UHFFFAOYSA-N -1 0 319.365 -0.023 20 0 DBADRM CCN(C)C(=O)CN1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001439717177 1004096899 /nfs/dbraw/zinc/09/68/99/1004096899.db2.gz PDFQNTRXAZSIRD-UHFFFAOYSA-N -1 0 309.370 -0.342 20 0 DBADRM CC[C@H](C)C(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001417915574 1004103560 /nfs/dbraw/zinc/10/35/60/1004103560.db2.gz DWLMJSXGUMIWNV-NSHDSACASA-N -1 0 310.402 -0.210 20 0 DBADRM C[C@@H](NC(=O)Nc1nn(C)cc1C(=O)[O-])[C@@H]1CN(C)CCO1 ZINC001593125314 1016848467 /nfs/dbraw/zinc/84/84/67/1016848467.db2.gz QDSFCOVRLPGYJY-SCZZXKLOSA-N -1 0 311.342 -0.041 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1 ZINC001593154451 1016849681 /nfs/dbraw/zinc/84/96/81/1016849681.db2.gz NIZFOMHFXRFKOW-VHSXEESVSA-N -1 0 311.309 -0.200 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001593181341 1016849911 /nfs/dbraw/zinc/84/99/11/1016849911.db2.gz NWMHOBMDYLGHCB-PSASIEDQSA-N -1 0 323.305 -0.848 20 0 DBADRM CCn1ncnc1CNC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001597969690 1017220864 /nfs/dbraw/zinc/22/08/64/1017220864.db2.gz UBAYUIBTJPABBU-NXEZZACHSA-N -1 0 307.354 -0.243 20 0 DBADRM O=C([N-]S(=O)(=O)CC1CC1)c1cccc(-c2nn[nH]n2)n1 ZINC001593173182 1016851007 /nfs/dbraw/zinc/85/10/07/1016851007.db2.gz SYVJOEAOXCUGLW-UHFFFAOYSA-N -1 0 308.323 -0.269 20 0 DBADRM O=C([N-]S(=O)(=O)C(F)F)c1cccc(-c2nn[nH]n2)n1 ZINC001593170161 1016851226 /nfs/dbraw/zinc/85/12/26/1016851226.db2.gz GBHWKQIXOCSBDH-UHFFFAOYSA-N -1 0 304.238 -0.456 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CCO1 ZINC001417972470 1004145800 /nfs/dbraw/zinc/14/58/00/1004145800.db2.gz SYZTVMYWWYLWDD-JOYOIKCWSA-N -1 0 318.337 -0.703 20 0 DBADRM O=C([N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1)c1ccoc1 ZINC001593172774 1016851452 /nfs/dbraw/zinc/85/14/52/1016851452.db2.gz NXNKKWFQUQNHOC-UHFFFAOYSA-N -1 0 320.290 -0.027 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001593276732 1016857538 /nfs/dbraw/zinc/85/75/38/1016857538.db2.gz PCZZEZMDEZJIBC-NSHDSACASA-N -1 0 317.305 -0.279 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CNC(=O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001418019639 1004163953 /nfs/dbraw/zinc/16/39/53/1004163953.db2.gz VOZHJGWOVXVKLH-SSDOTTSWSA-N -1 0 317.305 -0.390 20 0 DBADRM C[C@@H](C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001439985366 1004170243 /nfs/dbraw/zinc/17/02/43/1004170243.db2.gz WOPGIDACOLHOAL-YMTOWFKASA-N -1 0 309.370 -0.391 20 0 DBADRM CC[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H](O)C(C)C ZINC001418038091 1004171807 /nfs/dbraw/zinc/17/18/07/1004171807.db2.gz RQZUKQYMTYCYSC-CMPLNLGQSA-N -1 0 307.354 -0.017 20 0 DBADRM O=C(Nc1[nH]ncc1-c1nnn[n-]1)[C@H]1CCc2n[nH]c(=O)n2C1 ZINC001593197958 1016853640 /nfs/dbraw/zinc/85/36/40/1016853640.db2.gz SOCRBUHFRLVTRF-YFKPBYRVSA-N -1 0 316.285 -0.912 20 0 DBADRM C[C@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)[C@@H](C)CN1CCO ZINC001418074661 1004195332 /nfs/dbraw/zinc/19/53/32/1004195332.db2.gz ZGUUNYTUQBOSLJ-IUCAKERBSA-N -1 0 315.399 -0.484 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccc1O ZINC001440031444 1004207314 /nfs/dbraw/zinc/20/73/14/1004207314.db2.gz HDYQDHJJFFNMPP-UHFFFAOYSA-N -1 0 319.321 -0.807 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CCC1 ZINC001593276010 1016855779 /nfs/dbraw/zinc/85/57/79/1016855779.db2.gz ZSYIREBLLAGMHF-UHFFFAOYSA-N -1 0 324.322 -0.453 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001593279030 1016855960 /nfs/dbraw/zinc/85/59/60/1016855960.db2.gz MXUBQFZFXMNOED-LJGSYFOKSA-N -1 0 324.322 -0.597 20 0 DBADRM O=C([O-])CNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001593278487 1016856127 /nfs/dbraw/zinc/85/61/27/1016856127.db2.gz IESDTHFGGHGXQX-UHFFFAOYSA-N -1 0 317.714 -0.117 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1ccc(-c3nn[nH]n3)nc1)C2 ZINC001593279046 1016857023 /nfs/dbraw/zinc/85/70/23/1016857023.db2.gz OBPUKFIHYGWODH-AMIZOPFISA-N -1 0 302.294 -0.201 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1[C@H](CO)CC[C@H]1CO ZINC001593348819 1016865500 /nfs/dbraw/zinc/86/55/00/1016865500.db2.gz QOXWJDYMLVDBLN-IUCAKERBSA-N -1 0 304.310 -0.781 20 0 DBADRM C[C@H](NS(=O)(=O)C1CCC(C(=O)[O-])CC1)c1nnnn1C ZINC001593320637 1016861266 /nfs/dbraw/zinc/86/12/66/1016861266.db2.gz YVFHMSHMVKGGAM-UEJVZZJDSA-N -1 0 317.371 -0.166 20 0 DBADRM C[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])[C@@H]1CN(C)CCN1C ZINC001593319412 1016861298 /nfs/dbraw/zinc/86/12/98/1016861298.db2.gz PREVSHOJUAIJDM-MNOVXSKESA-N -1 0 321.443 -0.349 20 0 DBADRM C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)[C@H](C)N1CCOCC1 ZINC001593320661 1016861506 /nfs/dbraw/zinc/86/15/06/1016861506.db2.gz YZWOJQAHIJWNDB-QWRGUYRKSA-N -1 0 320.411 -0.120 20 0 DBADRM Cc1c[nH]cc1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001440095476 1004256664 /nfs/dbraw/zinc/25/66/64/1004256664.db2.gz MRHJSCJTRAUFNX-UHFFFAOYSA-N -1 0 306.326 -0.876 20 0 DBADRM C[C@@H](NS(=O)(=O)CCCC(=O)[O-])C(=O)NCC(F)(F)F ZINC001593319798 1016861849 /nfs/dbraw/zinc/86/18/49/1016861849.db2.gz RJRKAQDZOBZYNC-ZCFIWIBFSA-N -1 0 320.289 -0.162 20 0 DBADRM C[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CN(C)CCN1C ZINC001593325887 1016861944 /nfs/dbraw/zinc/86/19/44/1016861944.db2.gz MTUVYOMSTYLHJK-WYUUTHIRSA-N -1 0 319.427 -0.597 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC001593352725 1016865734 /nfs/dbraw/zinc/86/57/34/1016865734.db2.gz GYHXXIIBLFBTES-OIBJUYFYSA-N -1 0 316.335 -0.428 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001593352493 1016865557 /nfs/dbraw/zinc/86/55/57/1016865557.db2.gz BCTASROYTIQNAZ-VIFPVBQESA-N -1 0 314.363 -0.132 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001593352709 1016865568 /nfs/dbraw/zinc/86/55/68/1016865568.db2.gz GCBRUAOHJITQHB-LDYMZIIASA-N -1 0 308.356 -0.936 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)NCCF ZINC001593334360 1016862806 /nfs/dbraw/zinc/86/28/06/1016862806.db2.gz PKGPGMSWJIAYKS-ZETCQYMHSA-N -1 0 319.314 -0.468 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](CF)C(=O)[O-] ZINC001593344697 1016864248 /nfs/dbraw/zinc/86/42/48/1016864248.db2.gz FGPYMXGYWQGTFN-RNFRBKRXSA-N -1 0 324.355 -0.046 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CC(N2CCCC2=O)C1 ZINC001593348039 1016865910 /nfs/dbraw/zinc/86/59/10/1016865910.db2.gz MBPKOALICMGCFQ-UHFFFAOYSA-N -1 0 313.321 -0.292 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NCc1cscn1 ZINC001418250716 1004298566 /nfs/dbraw/zinc/29/85/66/1004298566.db2.gz SADYHNOOXALXOO-LURJTMIESA-N -1 0 310.339 -0.353 20 0 DBADRM O=C(c1cccc(F)c1-c1nn[nH]n1)N1C[C@H](CO)[C@H](O)C1 ZINC001593350678 1016866315 /nfs/dbraw/zinc/86/63/15/1016866315.db2.gz PSXZDHQDZGAMRB-GMSGAONNSA-N -1 0 307.285 -0.569 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC001593353079 1016866450 /nfs/dbraw/zinc/86/64/50/1016866450.db2.gz MEFCFHJRDCVVPD-WPRPVWTQSA-N -1 0 322.383 -0.690 20 0 DBADRM C[C@H](Nc1ccnc(C(=O)[O-])n1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001593366886 1016866464 /nfs/dbraw/zinc/86/64/64/1016866464.db2.gz HQZPQMODGNMJSX-DTWKUNHWSA-N -1 0 321.337 -0.879 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001593366962 1016866646 /nfs/dbraw/zinc/86/66/46/1016866646.db2.gz JGTZXEAMWSQPPX-RKDXNWHRSA-N -1 0 321.337 -0.879 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001593352492 1016866707 /nfs/dbraw/zinc/86/67/07/1016866707.db2.gz BCTASROYTIQNAZ-SECBINFHSA-N -1 0 314.363 -0.132 20 0 DBADRM O=C1C[C@]2(CCN(Cn3cccc(-c4nnn[n-]4)c3=O)C2)CN1 ZINC001593385141 1016868734 /nfs/dbraw/zinc/86/87/34/1016868734.db2.gz ZBQYRSPYQZXSFU-CQSZACIVSA-N -1 0 315.337 -0.802 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1C[C@H]1CCNC(=O)CC1 ZINC001593389894 1016870246 /nfs/dbraw/zinc/87/02/46/1016870246.db2.gz CRHRNVQYJKHVDH-SSDOTTSWSA-N -1 0 305.298 -0.955 20 0 DBADRM C[C@@](O)(CNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC001593398938 1016872364 /nfs/dbraw/zinc/87/23/64/1016872364.db2.gz INUOBXOEQJZJTP-GZMMTYOYSA-N -1 0 305.352 -0.847 20 0 DBADRM C[C@@](O)(CNC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC001593398941 1016872555 /nfs/dbraw/zinc/87/25/55/1016872555.db2.gz INUOBXOEQJZJTP-LDYMZIIASA-N -1 0 305.352 -0.847 20 0 DBADRM O=C1CN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)CCN1 ZINC001593399349 1016873620 /nfs/dbraw/zinc/87/36/20/1016873620.db2.gz WMSMMVNSTCLQQU-UHFFFAOYSA-N -1 0 314.352 -0.951 20 0 DBADRM C[C@@](O)(CNC(=O)/C=C/c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC001593399621 1016875449 /nfs/dbraw/zinc/87/54/49/1016875449.db2.gz XWPHYBRXZIZQCD-OGOUPESXSA-N -1 0 317.319 -0.352 20 0 DBADRM C[C@](O)(CNC(=O)c1cc(-n2ccnn2)ccc1F)C(=O)[O-] ZINC001593407665 1016878193 /nfs/dbraw/zinc/87/81/93/1016878193.db2.gz PAGXRGVPQWFHLG-ZDUSSCGKSA-N -1 0 308.269 -0.028 20 0 DBADRM C[C@H](C(N)=O)N(C)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001418512215 1004443509 /nfs/dbraw/zinc/44/35/09/1004443509.db2.gz ZXMIIFCPAXQTQE-SSDOTTSWSA-N -1 0 307.310 -0.536 20 0 DBADRM CSCC[C@H](NC(=O)C1(O)CCOCC1)c1nnn[n-]1 ZINC001418527454 1004454318 /nfs/dbraw/zinc/45/43/18/1004454318.db2.gz LPANPVPCTWMVDZ-QMMMGPOBSA-N -1 0 301.372 -0.348 20 0 DBADRM CSCC[C@H](NC(=O)[C@H]1CCCS1(=O)=O)c1nnn[n-]1 ZINC001418526891 1004455454 /nfs/dbraw/zinc/45/54/54/1004455454.db2.gz LCLVTMSLJUZCOY-JGVFFNPUSA-N -1 0 319.412 -0.313 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001593420483 1016879606 /nfs/dbraw/zinc/87/96/06/1016879606.db2.gz VVHCUQPABUZMJU-XHDPSFHLSA-N -1 0 308.334 -0.078 20 0 DBADRM C[C@](O)(CO)CNC(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC001593420472 1016880431 /nfs/dbraw/zinc/88/04/31/1016880431.db2.gz VQOQNMUNCPBALF-LLVKDONJSA-N -1 0 302.308 -0.756 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001593420841 1016880602 /nfs/dbraw/zinc/88/06/02/1016880602.db2.gz XGFDDRPOIBROPL-OQPBUACISA-N -1 0 318.276 -0.176 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001593425839 1016881084 /nfs/dbraw/zinc/88/10/84/1016881084.db2.gz NGQKSVITJDVMJS-RUSTZOOPSA-N -1 0 312.366 -0.169 20 0 DBADRM CCN(CCNC(=O)c1cnc(C)n1C)Cc1n[nH]c(=O)[n-]1 ZINC001418562414 1004478311 /nfs/dbraw/zinc/47/83/11/1004478311.db2.gz ZNYDKVNFFJVHAB-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCc1cnc(C(=O)[O-])cn1 ZINC001593431646 1016882851 /nfs/dbraw/zinc/88/28/51/1016882851.db2.gz HPXYAKDREJNPLU-RDDDGLTNSA-N -1 0 323.305 -0.506 20 0 DBADRM C[C@H](O)[C@@H](O)CNC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001593432373 1016884442 /nfs/dbraw/zinc/88/44/42/1016884442.db2.gz MYDQMDXZSJSSGD-YUMQZZPRSA-N -1 0 300.315 -0.434 20 0 DBADRM O=S(=O)(NCC[C@@H](O)C1CC1)c1cccnc1-c1nnn[n-]1 ZINC001593437602 1016886582 /nfs/dbraw/zinc/88/65/82/1016886582.db2.gz ABVDXRNZQYUDBE-SECBINFHSA-N -1 0 324.366 -0.299 20 0 DBADRM CC(C)(CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)n1cccn1 ZINC001418667480 1004550642 /nfs/dbraw/zinc/55/06/42/1004550642.db2.gz YUZZXJPHLKMCDA-UHFFFAOYSA-N -1 0 315.337 -0.181 20 0 DBADRM O=S(=O)(NCc1ccncn1)c1ccc(-c2nnn[n-]2)o1 ZINC001593442914 1016887046 /nfs/dbraw/zinc/88/70/46/1016887046.db2.gz NGXICMONVKMEOS-UHFFFAOYSA-N -1 0 307.295 -0.272 20 0 DBADRM C[C@H](O)[C@@H]1CN(S(=O)(=O)c2occc2C(=O)[O-])CCO1 ZINC001593442380 1016887351 /nfs/dbraw/zinc/88/73/51/1016887351.db2.gz ONKMXZUDUBTDER-CBAPKCEASA-N -1 0 305.308 -0.252 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NC[C@@H](O)[C@@H](C)O)cc2=O)n1 ZINC001418678407 1004557026 /nfs/dbraw/zinc/55/70/26/1004557026.db2.gz MHBGQMBVZPWIBI-MWLCHTKSSA-N -1 0 321.337 -0.956 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001593440804 1016887618 /nfs/dbraw/zinc/88/76/18/1016887618.db2.gz BKNDVYFHTLCBJK-IUCAKERBSA-N -1 0 307.306 -0.052 20 0 DBADRM C[C@H](O)C[C@H](C)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001593442045 1016887924 /nfs/dbraw/zinc/88/79/24/1016887924.db2.gz WDWBAQPMCNSCRY-GARJFASQSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001593440806 1016888220 /nfs/dbraw/zinc/88/82/20/1016888220.db2.gz BKNDVYFHTLCBJK-RKDXNWHRSA-N -1 0 307.306 -0.052 20 0 DBADRM C[C@@H](O)C[C@H](C)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001593441510 1016888340 /nfs/dbraw/zinc/88/83/40/1016888340.db2.gz QAWBYRGKJZODAW-JXUBOQSCSA-N -1 0 303.359 -0.330 20 0 DBADRM C[C@H](O)C[C@@H]1COCCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001593447439 1016889101 /nfs/dbraw/zinc/88/91/01/1016889101.db2.gz IQIDEZYLJFMSOZ-WCQYABFASA-N -1 0 314.382 -0.219 20 0 DBADRM C[C@@H](O)C[C@@H]1COCCN1C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001593448826 1016890253 /nfs/dbraw/zinc/89/02/53/1016890253.db2.gz VJHQRZIYWMNDBN-LZQZFOIKSA-N -1 0 301.339 -0.137 20 0 DBADRM C[C@H](O)C[C@H]1COCCN1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001593446830 1016890294 /nfs/dbraw/zinc/89/02/94/1016890294.db2.gz FKIDSMFBRQTHPI-WHOHXGKFSA-N -1 0 316.354 -0.343 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C(C)(C)C1CC1 ZINC001496327138 1016890773 /nfs/dbraw/zinc/89/07/73/1016890773.db2.gz BWKRIVMVVJHYBF-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@@H](O)CN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)[C@H](C)CO ZINC001593457109 1016891498 /nfs/dbraw/zinc/89/14/98/1016891498.db2.gz QPJWYBWTULRXHD-WISYIIOYSA-N -1 0 303.355 -0.011 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001593458967 1016891760 /nfs/dbraw/zinc/89/17/60/1016891760.db2.gz LPXFPQMKKOPHKZ-HBNTYKKESA-N -1 0 309.384 -0.365 20 0 DBADRM C[C@@H](O)CN(C(=O)Nc1c(C(=O)[O-])cnn1C)[C@@H](C)CO ZINC001593456779 1016891941 /nfs/dbraw/zinc/89/19/41/1016891941.db2.gz NCMRGSVRCKDJIB-JGVFFNPUSA-N -1 0 300.315 -0.286 20 0 DBADRM C[C@@H](O)CN(CCO)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001593460666 1016893808 /nfs/dbraw/zinc/89/38/08/1016893808.db2.gz YWNQULZPHZJFLH-SECBINFHSA-N -1 0 314.342 -0.090 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)[C@@]1(F)CCOC1 ZINC001418781421 1004636705 /nfs/dbraw/zinc/63/67/05/1004636705.db2.gz MSFLWRUISLMJHL-CYBMUJFWSA-N -1 0 313.333 -0.281 20 0 DBADRM C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001593470988 1016895765 /nfs/dbraw/zinc/89/57/65/1016895765.db2.gz DBGNARFFHFQFAG-DBIOUOCHSA-N -1 0 314.338 -0.941 20 0 DBADRM CC(C)=C(F)C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001496360681 1016897662 /nfs/dbraw/zinc/89/76/62/1016897662.db2.gz CYXAXHCZOBSJJG-UHFFFAOYSA-N -1 0 315.305 -0.473 20 0 DBADRM C[C@@H](OC(=O)C(=O)c1cnn(C)c1)c1cn(CC(=O)[O-])nn1 ZINC001593482868 1016897782 /nfs/dbraw/zinc/89/77/82/1016897782.db2.gz URTWVNHHCOIZKW-SSDOTTSWSA-N -1 0 307.266 -0.417 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N2CCOC[C@H]2c2nnn[n-]2)C1 ZINC001418863701 1004691085 /nfs/dbraw/zinc/69/10/85/1004691085.db2.gz ODNBPGQCPOUBTO-MNOVXSKESA-N -1 0 308.342 -0.642 20 0 DBADRM O=C(c1cn2c(n1)CCCC2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001418864251 1004691142 /nfs/dbraw/zinc/69/11/42/1004691142.db2.gz WEIODCGHYBHORG-JTQLQIEISA-N -1 0 303.326 -0.054 20 0 DBADRM O=c1c(-c2nnn[n-]2)cccn1CN1C[C@@H]2COC[C@H](C1)O2 ZINC001593492838 1016898213 /nfs/dbraw/zinc/89/82/13/1016898213.db2.gz QBYZQSXXJHMZBR-AOOOYVTPSA-N -1 0 304.310 -0.915 20 0 DBADRM Cc1occc(=O)c1OCC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001418863235 1004691802 /nfs/dbraw/zinc/69/18/02/1004691802.db2.gz KENBBCCJBMZWPN-SECBINFHSA-N -1 0 321.293 -0.560 20 0 DBADRM O=c1c(-c2nnn[n-]2)cccn1CC1CCS(=O)(=O)CC1 ZINC001593492142 1016898931 /nfs/dbraw/zinc/89/89/31/1016898931.db2.gz DDZICLCBIONUNA-UHFFFAOYSA-N -1 0 309.351 -0.147 20 0 DBADRM O=c1n(CCn2cccc(-c3nnn[n-]3)c2=O)nc2ccccn21 ZINC001593493013 1016898971 /nfs/dbraw/zinc/89/89/71/1016898971.db2.gz UADCBZAERDIFBF-UHFFFAOYSA-N -1 0 324.304 -0.462 20 0 DBADRM CO[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)[C@@](C)(CO)C1 ZINC001418919523 1004714959 /nfs/dbraw/zinc/71/49/59/1004714959.db2.gz BZYUYAGZZNGNJE-WRWORJQWSA-N -1 0 302.356 -0.399 20 0 DBADRM O=c1cc(Cn2cc(-c3nnn[n-]3)nn2)nc2sccn21 ZINC001593495563 1016900132 /nfs/dbraw/zinc/90/01/32/1016900132.db2.gz IXBFHAOCHXKGSP-UHFFFAOYSA-N -1 0 301.295 -0.424 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCCC[C@H]1CN1CCCC1=O ZINC001418943402 1004726603 /nfs/dbraw/zinc/72/66/03/1004726603.db2.gz CAYVMCJMDUWZMT-JTQLQIEISA-N -1 0 323.353 -0.307 20 0 DBADRM C[C@@H](O)c1cn(C2CN(C(=O)C34CC(C(=O)[O-])(C3)C4)C2)nn1 ZINC001593477196 1016895618 /nfs/dbraw/zinc/89/56/18/1016895618.db2.gz LDWPQCZCJZBMFT-UWEQVVMYSA-N -1 0 306.322 -0.030 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CCc2ncncc2C1)C(=O)NCC(=O)[O-] ZINC001593515635 1016903524 /nfs/dbraw/zinc/90/35/24/1016903524.db2.gz NTYBMMAHETXHBG-DTWKUNHWSA-N -1 0 307.306 -0.286 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CCc2ncncc2C1)C(=O)NCC(=O)[O-] ZINC001593515628 1016904007 /nfs/dbraw/zinc/90/40/07/1016904007.db2.gz NTYBMMAHETXHBG-BDAKNGLRSA-N -1 0 307.306 -0.286 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cc1 ZINC001419041018 1004780587 /nfs/dbraw/zinc/78/05/87/1004780587.db2.gz CRYUYXGEHYWKMT-SECBINFHSA-N -1 0 322.350 -0.523 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001419045261 1004782970 /nfs/dbraw/zinc/78/29/70/1004782970.db2.gz YUKXBCRIPLNZOD-HZMBPMFUSA-N -1 0 318.337 -0.872 20 0 DBADRM C[C@H](OC(=O)CCn1ncn(C)c1=O)C(=O)C(C)(C)C(=O)[O-] ZINC001593528655 1016907581 /nfs/dbraw/zinc/90/75/81/1016907581.db2.gz ZCXZSOUNUZCXDQ-QMMMGPOBSA-N -1 0 313.310 -0.417 20 0 DBADRM COC(=O)c1cc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)n(C)c1C ZINC001419072979 1004800178 /nfs/dbraw/zinc/80/01/78/1004800178.db2.gz PSWDNBZQBFUYCL-UHFFFAOYSA-N -1 0 323.309 -0.561 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001419078183 1004801262 /nfs/dbraw/zinc/80/12/62/1004801262.db2.gz CKKXMVZCKJIICP-SECBINFHSA-N -1 0 324.385 -0.555 20 0 DBADRM C[C@H](OC(=O)CCc1nnc[nH]1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593528518 1016908803 /nfs/dbraw/zinc/90/88/03/1016908803.db2.gz XAUGBIAAXFXYSF-VIFPVBQESA-N -1 0 324.337 -0.008 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001419128926 1004813666 /nfs/dbraw/zinc/81/36/66/1004813666.db2.gz ASEQPKUPBKTIKC-VXGBXAGGSA-N -1 0 322.413 -0.210 20 0 DBADRM C[C@H](OC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)C(=O)[O-] ZINC001593528486 1016908857 /nfs/dbraw/zinc/90/88/57/1016908857.db2.gz WEBXAWXFOBPELY-XHNCKOQMSA-N -1 0 311.290 -0.253 20 0 DBADRM C[C@@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)C(=O)[O-] ZINC001593527487 1016908938 /nfs/dbraw/zinc/90/89/38/1016908938.db2.gz HHTJJTAJFYKISD-SSDOTTSWSA-N -1 0 312.278 -0.564 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)COCc1nncn1C ZINC001419138111 1004818410 /nfs/dbraw/zinc/81/84/10/1004818410.db2.gz QBNBWDWOVWSQFY-UHFFFAOYSA-N -1 0 308.346 -0.470 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)NC1(c2nnn[n-]2)CCC1 ZINC001419164025 1004823544 /nfs/dbraw/zinc/82/35/44/1004823544.db2.gz RLPKZCZKOAXQBV-UHFFFAOYSA-N -1 0 318.337 -0.039 20 0 DBADRM COC1(c2cnnn2C)CN(C(=O)CCCc2nnn[n-]2)C1 ZINC001419240401 1004840695 /nfs/dbraw/zinc/84/06/95/1004840695.db2.gz CBGYMGBMAKGRFS-UHFFFAOYSA-N -1 0 306.330 -0.965 20 0 DBADRM C[C@@H](OC(=O)CNS(=O)(=O)c1cccs1)C(=O)C(=O)[O-] ZINC001593534102 1016913507 /nfs/dbraw/zinc/91/35/07/1016913507.db2.gz OVXFSJWLKPHLAQ-ZCFIWIBFSA-N -1 0 321.332 -0.388 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)C3(CF)CCC3)C2)nc1=O ZINC001419410689 1004870380 /nfs/dbraw/zinc/87/03/80/1004870380.db2.gz FMVJMKLTPXPOIA-MGCOHNPYSA-N -1 0 311.361 -0.015 20 0 DBADRM O=C(Cn1cncn1)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001419557834 1004899157 /nfs/dbraw/zinc/89/91/57/1004899157.db2.gz OMOATWVZYGIIKO-JTQLQIEISA-N -1 0 320.357 -0.870 20 0 DBADRM C[C@H](OC(=O)Cn1ncc2ccccc2c1=O)C(=O)C(=O)[O-] ZINC001593542985 1016917461 /nfs/dbraw/zinc/91/74/61/1016917461.db2.gz ZVVFZVRAAAVWDA-QMMMGPOBSA-N -1 0 304.258 -0.018 20 0 DBADRM C[C@H](OC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)NCC(=O)[O-] ZINC001593537288 1016917533 /nfs/dbraw/zinc/91/75/33/1016917533.db2.gz NYANDMRBDDSTJF-ZETCQYMHSA-N -1 0 313.314 -0.897 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(=O)NC[C@@H]1CCCO1 ZINC001593547404 1016917954 /nfs/dbraw/zinc/91/79/54/1016917954.db2.gz NMUZIZRRRYCUDS-VPOLOUISSA-N -1 0 315.322 -0.155 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@@H](O)c1cncs1 ZINC001419580808 1004908350 /nfs/dbraw/zinc/90/83/50/1004908350.db2.gz NXBYAQAZPHZCMO-SSDOTTSWSA-N -1 0 313.339 -0.224 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@H](O)c1cncs1 ZINC001419580813 1004909127 /nfs/dbraw/zinc/90/91/27/1004909127.db2.gz NXBYAQAZPHZCMO-ZETCQYMHSA-N -1 0 313.339 -0.224 20 0 DBADRM Cn1cc([C@H](O)C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)cn1 ZINC001419600683 1004916779 /nfs/dbraw/zinc/91/67/79/1004916779.db2.gz ZUEBQFAJXOCNNP-SKDRFNHKSA-N -1 0 305.342 -0.552 20 0 DBADRM COC(=O)CC1CC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001419663734 1004935445 /nfs/dbraw/zinc/93/54/45/1004935445.db2.gz DLCBPPMOOWSSOD-UHFFFAOYSA-N -1 0 312.326 -0.073 20 0 DBADRM C[C@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)NCC(=O)[O-] ZINC001593584577 1016926078 /nfs/dbraw/zinc/92/60/78/1016926078.db2.gz CHDMKYPSDPGUKR-QMMMGPOBSA-N -1 0 319.277 -0.592 20 0 DBADRM C[C@@H](OC(=O)c1cc2n(n1)CCO2)c1cn(CC(=O)[O-])nn1 ZINC001593573239 1016926242 /nfs/dbraw/zinc/92/62/42/1016926242.db2.gz QRSJCRFITHYDRR-SSDOTTSWSA-N -1 0 307.266 -0.130 20 0 DBADRM C[C@@H](OC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)C(=O)[O-] ZINC001593593942 1016927279 /nfs/dbraw/zinc/92/72/79/1016927279.db2.gz UGLIYNDBACRBDX-SSDOTTSWSA-N -1 0 315.303 -0.326 20 0 DBADRM C[C@@H](OC(=O)c1ccnc(C(=O)[O-])c1)C(=O)N1CCNC1=O ZINC001593592110 1016927762 /nfs/dbraw/zinc/92/77/62/1016927762.db2.gz PLGQJPLHPBBUQG-SSDOTTSWSA-N -1 0 307.262 -0.123 20 0 DBADRM c1cn(C[C@H]2CN(c3ccnc(-c4nnn[n-]4)n3)CCO2)nn1 ZINC001593583232 1016922464 /nfs/dbraw/zinc/92/24/64/1016922464.db2.gz SHRCORYQKYNYPY-SECBINFHSA-N -1 0 314.313 -0.846 20 0 DBADRM C[C@@H](OC(=O)c1ccc(OCC(N)=O)cc1)C(=O)NCC(=O)[O-] ZINC001593585449 1016923694 /nfs/dbraw/zinc/92/36/94/1016923694.db2.gz ONFZBIPAMBTHFP-MRVPVSSYSA-N -1 0 324.289 -0.703 20 0 DBADRM C[C@H](OC(=O)c1sccc1S(N)(=O)=O)C(=O)C(=O)[O-] ZINC001593602848 1016929611 /nfs/dbraw/zinc/92/96/11/1016929611.db2.gz LOPLIQIXMSOQAA-BYPYZUCNSA-N -1 0 307.305 -0.406 20 0 DBADRM C[C@@H](OC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)C(=O)[O-] ZINC001593599429 1016930332 /nfs/dbraw/zinc/93/03/32/1016930332.db2.gz HDZWJCPLVYWTJR-ZCFIWIBFSA-N -1 0 319.291 -0.271 20 0 DBADRM C[C@H](C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001419961064 1005031939 /nfs/dbraw/zinc/03/19/39/1005031939.db2.gz QEVRTDOZUQUJFG-SECBINFHSA-N -1 0 308.346 -0.747 20 0 DBADRM C[C@@H](OC(=O)c1cnn(C)n1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593599263 1016931254 /nfs/dbraw/zinc/93/12/54/1016931254.db2.gz FVLFKGCOPJMPSQ-MRVPVSSYSA-N -1 0 310.310 -0.316 20 0 DBADRM CN(CCN(C)C(=O)CCn1ccnc1)Cc1n[nH]c(=O)[n-]1 ZINC001419985450 1005041358 /nfs/dbraw/zinc/04/13/58/1005041358.db2.gz LZHKDIFYHGGKNY-UHFFFAOYSA-N -1 0 307.358 -0.313 20 0 DBADRM C[C@H](OC[C@H]1CCCCO1)C(=O)OCC(=O)NCC(=O)[O-] ZINC001593606126 1016931983 /nfs/dbraw/zinc/93/19/83/1016931983.db2.gz HXZUEMLPCMZFBK-VHSXEESVSA-N -1 0 303.311 -0.295 20 0 DBADRM C[C@@H](Sc1ccccc1C(=O)NC[C@H](O)C(=O)[O-])C(N)=O ZINC001593672444 1016932529 /nfs/dbraw/zinc/93/25/29/1016932529.db2.gz FBLVKNKTOBWVMY-APPZFPTMSA-N -1 0 312.347 -0.172 20 0 DBADRM C[C@H](Oc1cccnc1)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001593656386 1016933179 /nfs/dbraw/zinc/93/31/79/1016933179.db2.gz ZXOPJTIJFVNKKH-GXSJLCMTSA-N -1 0 305.294 -0.290 20 0 DBADRM C[C@H](C(N)=O)N(C)CCN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001420039558 1005058080 /nfs/dbraw/zinc/05/80/80/1005058080.db2.gz OBCTXYVBDBGDMG-MRVPVSSYSA-N -1 0 321.337 -0.194 20 0 DBADRM CCCn1cc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001420040824 1005058239 /nfs/dbraw/zinc/05/82/39/1005058239.db2.gz FBUHSCFXWMYLCH-UHFFFAOYSA-N -1 0 322.373 -0.284 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001593606334 1016933646 /nfs/dbraw/zinc/93/36/46/1016933646.db2.gz NNQIOAURIPZGKX-NWDGAFQWSA-N -1 0 300.355 -0.201 20 0 DBADRM Cc1oncc1CN(C)CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001420047503 1005060389 /nfs/dbraw/zinc/06/03/89/1005060389.db2.gz AMZWISSFQWZZIY-UHFFFAOYSA-N -1 0 324.341 -0.424 20 0 DBADRM C[C@H](c1nncn1C)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001593738217 1016934577 /nfs/dbraw/zinc/93/45/77/1016934577.db2.gz QUKUATUTSVPOOZ-BDAKNGLRSA-N -1 0 302.356 -0.550 20 0 DBADRM C[C@]1(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CCC(=O)NC1 ZINC001593748682 1016935328 /nfs/dbraw/zinc/93/53/28/1016935328.db2.gz BNGSFYYMXUQNMB-XPTSAGLGSA-N -1 0 314.338 -0.375 20 0 DBADRM C[C@]1(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CCC(=O)NC1 ZINC001593745390 1016935599 /nfs/dbraw/zinc/93/55/99/1016935599.db2.gz MOEHQVSXPHMRHO-UONOGXRCSA-N -1 0 309.322 -0.265 20 0 DBADRM C[C@]1(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CCNC(=O)C1 ZINC001593745255 1016935983 /nfs/dbraw/zinc/93/59/83/1016935983.db2.gz IFPADLUCOMGAIZ-XPTSAGLGSA-N -1 0 321.337 -0.334 20 0 DBADRM C[C@]1(C(=O)NCc2nc(C(=O)[O-])co2)CCCS1(=O)=O ZINC001593756428 1016937504 /nfs/dbraw/zinc/93/75/04/1016937504.db2.gz QQLYVBMJSQATNX-LLVKDONJSA-N -1 0 302.308 -0.044 20 0 DBADRM C[C@@]1(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])CCCS1(=O)=O ZINC001593749766 1016937679 /nfs/dbraw/zinc/93/76/79/1016937679.db2.gz RRHKGLJGDFSUOH-PELKAZGASA-N -1 0 321.351 -0.714 20 0 DBADRM C[C@]1(C(N)=O)CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001593815165 1016941654 /nfs/dbraw/zinc/94/16/54/1016941654.db2.gz FTLOEWZCLUXDMP-LBPRGKRZSA-N -1 0 313.335 -0.334 20 0 DBADRM CC1(C)CC(=O)N(CN2CC(n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001593843484 1016941683 /nfs/dbraw/zinc/94/16/83/1016941683.db2.gz CECJWSAROCXXCP-UHFFFAOYSA-N -1 0 307.310 -0.424 20 0 DBADRM C[C@]1(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)CCCS1(=O)=O ZINC001593748943 1016938220 /nfs/dbraw/zinc/93/82/20/1016938220.db2.gz DQVOIRFDLSVUCM-OUJBWJOFSA-N -1 0 319.379 -0.193 20 0 DBADRM C[C@@]1(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CCC(=O)NC1 ZINC001593749930 1016938311 /nfs/dbraw/zinc/93/83/11/1016938311.db2.gz UBBGEASCKIVHDQ-COLVAYQJSA-N -1 0 310.350 -0.148 20 0 DBADRM C[C@@]1(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)CCNC1=O ZINC001593753572 1016938326 /nfs/dbraw/zinc/93/83/26/1016938326.db2.gz DOPWBMBLXSDTQA-AWEZNQCLSA-N -1 0 321.337 -0.959 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)[C@H]2CCO[C@@H]21 ZINC001593833586 1016941307 /nfs/dbraw/zinc/94/13/07/1016941307.db2.gz RRSKAJDHDNJESI-ZDCRXTMVSA-N -1 0 310.350 -0.151 20 0 DBADRM CC1(C(N)=O)CN(C(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC001593814978 1016941464 /nfs/dbraw/zinc/94/14/64/1016941464.db2.gz BXJKRNATFBXEEZ-UHFFFAOYSA-N -1 0 323.280 -0.204 20 0 DBADRM CCN(CCN[C@@H](C)c1nnnn1C)C(=O)c1n[nH]c(C)c1[O-] ZINC001420244898 1005169310 /nfs/dbraw/zinc/16/93/10/1005169310.db2.gz MIVBURQAKLXRGY-VIFPVBQESA-N -1 0 322.373 -0.240 20 0 DBADRM CC1(C)CNC(=O)[C@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001593948339 1016944606 /nfs/dbraw/zinc/94/46/06/1016944606.db2.gz ALQQCNIPYVILTI-MRVPVSSYSA-N -1 0 301.324 -0.484 20 0 DBADRM CC1(C)CNC(=O)CN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001593949173 1016945255 /nfs/dbraw/zinc/94/52/55/1016945255.db2.gz PLJAHQVKZZKWPH-UHFFFAOYSA-N -1 0 307.306 -0.717 20 0 DBADRM C[C@@]1(CC(=O)N2CCC[C@H]2CC(=O)[O-])CCS(=O)(=O)N1 ZINC001593996160 1016946048 /nfs/dbraw/zinc/94/60/48/1016946048.db2.gz JRMKKKXLSLGUCG-CABZTGNLSA-N -1 0 304.368 -0.076 20 0 DBADRM CC1(C)OCC(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CO1 ZINC001593978365 1016946240 /nfs/dbraw/zinc/94/62/40/1016946240.db2.gz ZHMPBOYSBVZLLM-PSASIEDQSA-N -1 0 302.327 -0.073 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOC[C@H]1C[C@H]1CCOC1 ZINC001420287069 1005186426 /nfs/dbraw/zinc/18/64/26/1005186426.db2.gz BVRKSXCMKNUKFQ-NXEZZACHSA-N -1 0 312.326 -0.657 20 0 DBADRM CC1(CC(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])CC1 ZINC001593996355 1016946625 /nfs/dbraw/zinc/94/66/25/1016946625.db2.gz RHBBSLZGMPSUOR-IUCAKERBSA-N -1 0 309.322 -0.218 20 0 DBADRM C[C@]1(C2CC2)CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC001593991571 1016946639 /nfs/dbraw/zinc/94/66/39/1016946639.db2.gz JWRZLVZFIBHKDG-MEBBXXQBSA-N -1 0 310.350 -0.053 20 0 DBADRM CC1(C)OC[C@H](/C=C\C(=O)NCCn2cc(C(=O)[O-])nn2)O1 ZINC001593980979 1016946852 /nfs/dbraw/zinc/94/68/52/1016946852.db2.gz QDLDGXKNUPALHH-TYRPZCRBSA-N -1 0 310.310 -0.200 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2[nH]cnc2C(=O)[O-])C1=O ZINC001593991629 1016946876 /nfs/dbraw/zinc/94/68/76/1016946876.db2.gz MAULUCDOPGCXEA-ZDUSSCGKSA-N -1 0 321.293 -0.233 20 0 DBADRM C[C@]1(CC(=O)Nc2ccnc(C(=O)[O-])n2)CCS(=O)(=O)N1 ZINC001593998562 1016947390 /nfs/dbraw/zinc/94/73/90/1016947390.db2.gz SYJCNFMRGZOXKT-LLVKDONJSA-N -1 0 314.323 -0.993 20 0 DBADRM C[C@@]1(CC(=O)Nc2c[nH]nc2C(=O)[O-])CCS(=O)(=O)N1 ZINC001593998328 1016947800 /nfs/dbraw/zinc/94/78/00/1016947800.db2.gz WZIYPDDJSIIGQL-JTQLQIEISA-N -1 0 302.312 -0.482 20 0 DBADRM CC1(CNC(=O)C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CC1 ZINC001594013708 1016950155 /nfs/dbraw/zinc/95/01/55/1016950155.db2.gz UGQKOUYTNRZTER-AWEZNQCLSA-N -1 0 309.322 -0.265 20 0 DBADRM C[C@@]1(CO)C[C@H](O)CN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001594031632 1016950800 /nfs/dbraw/zinc/95/08/00/1016950800.db2.gz BGKBKKCYMVRIJN-GWCFXTLKSA-N -1 0 315.347 -0.109 20 0 DBADRM CC1([NH2+]Cc2n[nH]c(=O)[n-]2)CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001594060163 1016951857 /nfs/dbraw/zinc/95/18/57/1016951857.db2.gz KYIYRIRAKODQHJ-IUCAKERBSA-N -1 0 323.353 -0.298 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)OC)Cc1n[nH]c(=O)[n-]1 ZINC001420387528 1005240662 /nfs/dbraw/zinc/24/06/62/1005240662.db2.gz YQPBHNOABUIFFX-DTWKUNHWSA-N -1 0 311.342 -0.743 20 0 DBADRM C[C@@]1(NC(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)CCNC1=O ZINC001594053840 1016952678 /nfs/dbraw/zinc/95/26/78/1016952678.db2.gz ZGSAFCKCCIIDEJ-XLKFXECMSA-N -1 0 321.337 -0.006 20 0 DBADRM C[C@]1(NNC(=S)NCCCC(=O)[O-])CCS(=O)(=O)C1 ZINC001594062101 1016953726 /nfs/dbraw/zinc/95/37/26/1016953726.db2.gz RZSSFMJSKBIBRI-JTQLQIEISA-N -1 0 309.413 -0.603 20 0 DBADRM CC1(Cn2cc(C(=O)NC3(C(=O)[O-])CCOCC3)nn2)COC1 ZINC001594043492 1016954047 /nfs/dbraw/zinc/95/40/47/1016954047.db2.gz NDQAWYFTDOIRSI-UHFFFAOYSA-N -1 0 324.337 -0.322 20 0 DBADRM C[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@H]1CC(=O)[O-])C2 ZINC001594087793 1016955096 /nfs/dbraw/zinc/95/50/96/1016955096.db2.gz MKNLTONFSJEMRZ-ZETOZRRWSA-N -1 0 310.350 -0.053 20 0 DBADRM COc1ccc2ncc(C(=O)N3CCOC[C@H]3C(=O)[O-])n2n1 ZINC001594117341 1016958737 /nfs/dbraw/zinc/95/87/37/1016958737.db2.gz LKXPVYAEUZDEAT-VIFPVBQESA-N -1 0 306.278 -0.337 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCC[C@@H](O)C2CC2)c1 ZINC001420523877 1005291002 /nfs/dbraw/zinc/29/10/02/1005291002.db2.gz XEGDBNVWCAMWFR-LLVKDONJSA-N -1 0 314.363 -0.070 20 0 DBADRM CC1=NO[C@@H](C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001594113883 1016959911 /nfs/dbraw/zinc/95/99/11/1016959911.db2.gz PGWWTBAYHFQQKE-BXUZGUMPSA-N -1 0 311.338 -0.461 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCOC(F)(F)F ZINC001594136916 1016960521 /nfs/dbraw/zinc/96/05/21/1016960521.db2.gz AJLCKLJOVXFZBT-RNFRBKRXSA-N -1 0 312.244 -0.039 20 0 DBADRM COc1cccc(OC)c1S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC001594131722 1016960950 /nfs/dbraw/zinc/96/09/50/1016960950.db2.gz ZSSSBQWMUXLOGR-LBPRGKRZSA-N -1 0 319.335 -0.182 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCN1CCCC1=O ZINC001594137147 1016961501 /nfs/dbraw/zinc/96/15/01/1016961501.db2.gz BSJJXKHERYGVME-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001594127173 1016961747 /nfs/dbraw/zinc/96/17/47/1016961747.db2.gz WGMMKPDEAASMSR-OFYUCFFLSA-N -1 0 323.349 -0.955 20 0 DBADRM CCCN(CCNC(=O)[C@H]1CCC(=O)NC1)Cc1n[nH]c(=O)[n-]1 ZINC001420587616 1005314109 /nfs/dbraw/zinc/31/41/09/1005314109.db2.gz IYDRBTXAIVPLLF-JTQLQIEISA-N -1 0 324.385 -0.635 20 0 DBADRM Cc1cc(CN(C)C[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)on1 ZINC001420596121 1005315512 /nfs/dbraw/zinc/31/55/12/1005315512.db2.gz OLPQWFBHWARNBF-QMMMGPOBSA-N -1 0 322.325 -0.170 20 0 DBADRM C[C@@H]1C(=O)N(C)S(=O)(=O)N1Cc1cnc(C(=O)[O-])cn1 ZINC001594129407 1016962070 /nfs/dbraw/zinc/96/20/70/1016962070.db2.gz RNSDCJFJMCZUSR-ZCFIWIBFSA-N -1 0 300.296 -0.918 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCN1CCCC1=O ZINC001594137145 1016962130 /nfs/dbraw/zinc/96/21/30/1016962130.db2.gz BSJJXKHERYGVME-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N(C)CC(C)(C)CO ZINC001594134647 1016962275 /nfs/dbraw/zinc/96/22/75/1016962275.db2.gz BOXFFSKWHWYMIC-UWVGGRQHSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001594125283 1016962379 /nfs/dbraw/zinc/96/23/79/1016962379.db2.gz IIUYFIXRRXBEBN-SSDOTTSWSA-N -1 0 302.308 -0.171 20 0 DBADRM C[C@]1(c2nccs2)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC001594080700 1016955899 /nfs/dbraw/zinc/95/58/99/1016955899.db2.gz BEHYJNPTVXLURK-LLVKDONJSA-N -1 0 312.307 -0.889 20 0 DBADRM C[C@]12COC[C@H]1CN(S(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C2 ZINC001594090016 1016955991 /nfs/dbraw/zinc/95/59/91/1016955991.db2.gz CQCTWPZZYLXBGA-HQJQHLMTSA-N -1 0 301.324 -0.235 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001420627019 1005323697 /nfs/dbraw/zinc/32/36/97/1005323697.db2.gz XGEWBCXDYXPPKB-OQPBUACISA-N -1 0 310.358 -0.885 20 0 DBADRM CC1=C(C(=O)N2CC[C@H](C(=O)[O-])C2)[C@@H](C)n2nnnc2N1C ZINC001594090459 1016956380 /nfs/dbraw/zinc/95/63/80/1016956380.db2.gz NIZZKPYQSAGKLS-BDAKNGLRSA-N -1 0 306.326 -0.109 20 0 DBADRM C[C@]12COC[C@@H]1CN(S(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C2 ZINC001594090014 1016956412 /nfs/dbraw/zinc/95/64/12/1016956412.db2.gz CQCTWPZZYLXBGA-CPCISQLKSA-N -1 0 301.324 -0.235 20 0 DBADRM C[C@]1(c2cccc(C(=O)N[C@H](CF)C(=O)[O-])c2)NC(=O)NC1=O ZINC001594074691 1016956716 /nfs/dbraw/zinc/95/67/16/1016956716.db2.gz YOATYWBLKZLQDV-YMTOWFKASA-N -1 0 323.280 -0.106 20 0 DBADRM Cc1nccn1CC(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001420652518 1005330598 /nfs/dbraw/zinc/33/05/98/1005330598.db2.gz DGLULPYBSBJOCR-VIFPVBQESA-N -1 0 307.358 -0.348 20 0 DBADRM C[C@]12CN(C(=O)CCSCC(=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001594087189 1016956944 /nfs/dbraw/zinc/95/69/44/1016956944.db2.gz BIJJOHUXLACKJO-BETUJISGSA-N -1 0 314.363 -0.295 20 0 DBADRM CC1=NO[C@@H](C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001594119309 1016957755 /nfs/dbraw/zinc/95/77/55/1016957755.db2.gz PSAUAOQLHFLCQJ-MRVPVSSYSA-N -1 0 304.324 -0.701 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)CCc1ocnc1C(=O)[O-] ZINC001594114171 1016958018 /nfs/dbraw/zinc/95/80/18/1016958018.db2.gz RWXLTZBOHVVIOL-QMMMGPOBSA-N -1 0 308.294 -0.066 20 0 DBADRM CC1=NO[C@](C)(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)C1 ZINC001594119437 1016958074 /nfs/dbraw/zinc/95/80/74/1016958074.db2.gz SHHTXRIIUZNQTB-KPXOXKRLSA-N -1 0 318.351 -0.455 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC001594139462 1016966190 /nfs/dbraw/zinc/96/61/90/1016966190.db2.gz TYXMFISSPZLAJL-HGCLJGPKSA-N -1 0 310.350 -0.463 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC001594139468 1016966262 /nfs/dbraw/zinc/96/62/62/1016966262.db2.gz TYXMFISSPZLAJL-ROHXPCBUSA-N -1 0 310.350 -0.463 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@H](n2cccn2)C1 ZINC001594140493 1016967489 /nfs/dbraw/zinc/96/74/89/1016967489.db2.gz YITFQQZGBZYYJO-IJLUTSLNSA-N -1 0 320.349 -0.022 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCC(=O)N=S(C)(C)=O ZINC001594149342 1016967588 /nfs/dbraw/zinc/96/75/88/1016967588.db2.gz JUMLVGKTUUJELO-YUMQZZPRSA-N -1 0 305.356 -0.255 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CNC(=O)c1ncccc1O ZINC001594146927 1016967614 /nfs/dbraw/zinc/96/76/14/1016967614.db2.gz IGYVVWMTHMANSE-IUCAKERBSA-N -1 0 307.306 -0.161 20 0 DBADRM COc1cnc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])nc1 ZINC001594152731 1016967657 /nfs/dbraw/zinc/96/76/57/1016967657.db2.gz FQVJIGHHPFVSMS-MRVPVSSYSA-N -1 0 310.310 -0.463 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC001594142830 1016967894 /nfs/dbraw/zinc/96/78/94/1016967894.db2.gz WTYBJNGSIKOCFZ-PSASIEDQSA-N -1 0 307.306 -0.355 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)N[C@@H]1CCc2nnnn2CC1 ZINC001594148253 1016968079 /nfs/dbraw/zinc/96/80/79/1016968079.db2.gz AZZXLDRYQSDKAO-BBBLOLIVSA-N -1 0 308.342 -0.117 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCC(=O)N=S(C)(C)=O ZINC001594149340 1016968775 /nfs/dbraw/zinc/96/87/75/1016968775.db2.gz JUMLVGKTUUJELO-JGVFFNPUSA-N -1 0 305.356 -0.255 20 0 DBADRM COc1cnc([C@@H]2CCCN2C(=O)[C@H](OC)C(=O)[O-])[nH]c1=O ZINC001594152970 1016968871 /nfs/dbraw/zinc/96/88/71/1016968871.db2.gz MIHVTUFGPHMLJC-CBAPKCEASA-N -1 0 311.294 -0.046 20 0 DBADRM C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001594154151 1016969086 /nfs/dbraw/zinc/96/90/86/1016969086.db2.gz VJNOPELJUFPLGS-SGIHWFKDSA-N -1 0 304.368 -0.076 20 0 DBADRM CS(=O)(=O)CCCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001594164957 1016972909 /nfs/dbraw/zinc/97/29/09/1016972909.db2.gz HGPYNPBJTHBXQR-UHFFFAOYSA-N -1 0 316.335 -0.903 20 0 DBADRM CS(=O)(=O)[C@H]1CCCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594163266 1016969974 /nfs/dbraw/zinc/96/99/74/1016969974.db2.gz AUZCRGJMBVKYGA-WCBMZHEXSA-N -1 0 318.351 -0.358 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1nc2ncc(CCO)cn2n1 ZINC001594160959 1016970092 /nfs/dbraw/zinc/97/00/92/1016970092.db2.gz ASDJXTPDILJKBJ-WCBMZHEXSA-N -1 0 319.321 -0.406 20 0 DBADRM COc1ncc(/C=C\C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001594156963 1016970806 /nfs/dbraw/zinc/97/08/06/1016970806.db2.gz JFASYTYRLPGFLO-MXQLGCADSA-N -1 0 321.289 -0.273 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001594161749 1016970919 /nfs/dbraw/zinc/97/09/19/1016970919.db2.gz UJFGIJJMOZBBHU-UHFFFAOYSA-N -1 0 322.281 -0.713 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CC[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001594162668 1016970950 /nfs/dbraw/zinc/97/09/50/1016970950.db2.gz UHILSJATORJEHT-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)CCC1 ZINC001594163651 1016972819 /nfs/dbraw/zinc/97/28/19/1016972819.db2.gz ICDYXDCJHOAAIC-CYBMUJFWSA-N -1 0 319.379 -0.049 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCCC1 ZINC001594164477 1016972929 /nfs/dbraw/zinc/97/29/29/1016972929.db2.gz RGHPBUDMUAJTTF-SECBINFHSA-N -1 0 318.351 -0.311 20 0 DBADRM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCC(=O)[O-])C1 ZINC001594163962 1016973174 /nfs/dbraw/zinc/97/31/74/1016973174.db2.gz IWMSBBMYNRFSOL-BDAKNGLRSA-N -1 0 320.367 -0.951 20 0 DBADRM CS(=O)(=O)CCN(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)C1CC1 ZINC001594165527 1016973877 /nfs/dbraw/zinc/97/38/77/1016973877.db2.gz SYQGQSDIFPTTIA-VIFPVBQESA-N -1 0 304.324 -0.749 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001594164523 1016974642 /nfs/dbraw/zinc/97/46/42/1016974642.db2.gz SUAHMHJRRXTXHQ-WCBMZHEXSA-N -1 0 318.351 -0.358 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594177605 1016978817 /nfs/dbraw/zinc/97/88/17/1016978817.db2.gz AGLJSBHRSVJSKT-SFYZADRCSA-N -1 0 305.356 -0.207 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](COC(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC001594169703 1016975462 /nfs/dbraw/zinc/97/54/62/1016975462.db2.gz GOOBJDKBAHQGAV-SCZZXKLOSA-N -1 0 305.352 -0.078 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NCCC(=O)[O-] ZINC001594170370 1016975763 /nfs/dbraw/zinc/97/57/63/1016975763.db2.gz LUDHPPOHKGLXAJ-RKDXNWHRSA-N -1 0 307.372 -0.522 20 0 DBADRM CS(=O)(=O)NC[C@H]1COCCN1C(=O)CCCC(=O)[O-] ZINC001594169954 1016976093 /nfs/dbraw/zinc/97/60/93/1016976093.db2.gz FHOLQNAOJUFQEY-VIFPVBQESA-N -1 0 308.356 -0.982 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NCCC(=O)[O-] ZINC001594170368 1016976529 /nfs/dbraw/zinc/97/65/29/1016976529.db2.gz LUDHPPOHKGLXAJ-IUCAKERBSA-N -1 0 307.372 -0.522 20 0 DBADRM CS(=O)(=O)NCCC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001594170828 1016979086 /nfs/dbraw/zinc/97/90/86/1016979086.db2.gz WEHSSQUGYARQKH-UHFFFAOYSA-N -1 0 308.356 -0.934 20 0 DBADRM CS(=O)(=O)NCCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001594170782 1016978235 /nfs/dbraw/zinc/97/82/35/1016978235.db2.gz VBFHGAWGNUGZIO-VHSXEESVSA-N -1 0 304.368 -0.505 20 0 DBADRM C[S@](=O)CCCNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001594178281 1016979102 /nfs/dbraw/zinc/97/91/02/1016979102.db2.gz IZWMRKOKHYFJCZ-NRFANRHFSA-N -1 0 313.335 -0.397 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)CCNC(=O)CCCC(=O)[O-] ZINC001594178386 1016979124 /nfs/dbraw/zinc/97/91/24/1016979124.db2.gz LQPSATNJFANRRI-UHFFFAOYSA-N -1 0 314.385 -0.585 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1nnnn1CCO[C@H]1CCOC1 ZINC001594175038 1016978429 /nfs/dbraw/zinc/97/84/29/1016978429.db2.gz VALWIUZUCWLETB-OUAUKWLOSA-N -1 0 311.342 -0.222 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1nnnn1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001594174946 1016978463 /nfs/dbraw/zinc/97/84/63/1016978463.db2.gz UCOWYIUWZDFTDB-GCHJQGSQSA-N -1 0 323.353 -0.224 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1c1nnnn1CCCN1CCCC1=O ZINC001594174626 1016979347 /nfs/dbraw/zinc/97/93/47/1016979347.db2.gz SEUAZBZUHSATSU-WDEREUQCSA-N -1 0 322.369 -0.015 20 0 DBADRM CS(=O)(=O)c1ccc(C=CC(=O)OCC(=O)C(=O)[O-])o1 ZINC001594174840 1016979460 /nfs/dbraw/zinc/97/94/60/1016979460.db2.gz SEOQNYMWJBNYIY-RQOWECAXSA-N -1 0 302.260 -0.107 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001594170823 1016979680 /nfs/dbraw/zinc/97/96/80/1016979680.db2.gz VUORHBANPSOZKE-KXUCPTDWSA-N -1 0 304.368 -0.505 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001594170714 1016979797 /nfs/dbraw/zinc/97/97/97/1016979797.db2.gz SCVFKWYMCUPHPW-XHHQTKHESA-N -1 0 319.383 -0.381 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001594179056 1016981225 /nfs/dbraw/zinc/98/12/25/1016981225.db2.gz JTPNRCKBYHPVAN-QKXJBXMVSA-N -1 0 316.379 -0.809 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cn1nc(C(=O)[O-])ccc1=O ZINC001594179836 1016981266 /nfs/dbraw/zinc/98/12/66/1016981266.db2.gz RESAWLHMJXRLED-IUCAKERBSA-N -1 0 315.351 -0.594 20 0 DBADRM C[C@H]1CC(=O)N(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1 ZINC001594199478 1016985153 /nfs/dbraw/zinc/98/51/53/1016985153.db2.gz YXQRYBMIAPDZOJ-UWVGGRQHSA-N -1 0 304.368 -0.614 20 0 DBADRM CSC[C@@H](C)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001594185629 1016982092 /nfs/dbraw/zinc/98/20/92/1016982092.db2.gz OHHVXBZYZXIPFE-SSDOTTSWSA-N -1 0 300.340 -0.226 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CO)[C@@H]2C)C[C@H]1C(=O)[O-] ZINC001594188918 1016982196 /nfs/dbraw/zinc/98/21/96/1016982196.db2.gz XYRFFKNEODOFRA-NOOOWODRSA-N -1 0 312.366 -0.215 20 0 DBADRM CSCC[C@H](NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)C(N)=O ZINC001594185984 1016982621 /nfs/dbraw/zinc/98/26/21/1016982621.db2.gz AZCURFNMFCIXAK-BBBLOLIVSA-N -1 0 318.395 -0.021 20 0 DBADRM C[C@@H](C(=O)OCC(=O)C(=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001594199120 1016984553 /nfs/dbraw/zinc/98/45/53/1016984553.db2.gz HHLZLCMBTHMJBZ-CIUDSAMLSA-N -1 0 311.290 -0.253 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])[C@H](C)O1 ZINC001594201225 1016984915 /nfs/dbraw/zinc/98/49/15/1016984915.db2.gz CYSUONSKYMZJHW-RCWTZXSCSA-N -1 0 319.379 -0.100 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC001594225761 1016986877 /nfs/dbraw/zinc/98/68/77/1016986877.db2.gz SFNMKGZNCJXWMV-LQNCWFGHSA-N -1 0 323.349 -0.066 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC001594225990 1016986998 /nfs/dbraw/zinc/98/69/98/1016986998.db2.gz WRDOIHVNRPAQFY-LNLATYFQSA-N -1 0 304.368 -0.505 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(C(=O)[O-])nn1C ZINC001594221074 1016987321 /nfs/dbraw/zinc/98/73/21/1016987321.db2.gz JADBTLWULHIZQX-SVRRBLITSA-N -1 0 301.324 -0.719 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCc1nnc2c(=O)[nH]ccn12 ZINC001594226093 1016987619 /nfs/dbraw/zinc/98/76/19/1016987619.db2.gz IEZGSHUETZPHHE-UHLUBPPHSA-N -1 0 305.294 -0.813 20 0 DBADRM C[C@H](O)C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC001594241716 1016990040 /nfs/dbraw/zinc/99/00/40/1016990040.db2.gz BUFGTUDBDNHHLW-WCQGTBRESA-N -1 0 306.318 -0.090 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001594218388 1016987893 /nfs/dbraw/zinc/98/78/93/1016987893.db2.gz SYQIUPHMTKLGQA-KHQFGBGNSA-N -1 0 323.309 -0.536 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001594223382 1016988088 /nfs/dbraw/zinc/98/80/88/1016988088.db2.gz AMNHXZIFRACNDT-CLAHSXSESA-N -1 0 309.322 -0.360 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(C(=O)CN2[C@@H](C(=O)[O-])CCS2(=O)=O)C1 ZINC001594222182 1016988393 /nfs/dbraw/zinc/98/83/93/1016988393.db2.gz WFTIFFBXVINARH-GMTAPVOTSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)OC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001594231565 1016989959 /nfs/dbraw/zinc/98/99/59/1016989959.db2.gz SBOBJPFBPXFTCY-KBVBSXBZSA-N -1 0 305.352 -0.078 20 0 DBADRM C[C@H](O)C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC001594241715 1016989302 /nfs/dbraw/zinc/98/93/02/1016989302.db2.gz BUFGTUDBDNHHLW-MVWJERBFSA-N -1 0 306.318 -0.090 20 0 DBADRM C[C@@H]1[C@H](NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CCS1(=O)=O ZINC001594231251 1016990208 /nfs/dbraw/zinc/99/02/08/1016990208.db2.gz LXUDGNYXSVLZCN-LMLFDSFASA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1C[C@H](CO)C[C@H](C)C1)C(=O)[O-] ZINC001594244188 1016990299 /nfs/dbraw/zinc/99/02/99/1016990299.db2.gz UPCLOGDGUKEDHJ-XWLWVQCSSA-N -1 0 315.370 -0.376 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1C[C@H](C)C[C@@H](CO)C1)C(=O)[O-] ZINC001594244186 1016991388 /nfs/dbraw/zinc/99/13/88/1016991388.db2.gz UPCLOGDGUKEDHJ-VPOLOUISSA-N -1 0 315.370 -0.376 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CO1 ZINC001594249343 1016992349 /nfs/dbraw/zinc/99/23/49/1016992349.db2.gz LYWOQKIFVDJNJI-VWYCJHECSA-N -1 0 310.350 -0.007 20 0 DBADRM CC1CC(NC(=O)C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001594248607 1016992725 /nfs/dbraw/zinc/99/27/25/1016992725.db2.gz FCBCAXXGFGEIRP-OAQUUNCKSA-N -1 0 309.322 -0.267 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CS1 ZINC001594251482 1016992802 /nfs/dbraw/zinc/99/28/02/1016992802.db2.gz VXZMOWHAAJYPBB-KATARQTJSA-N -1 0 316.379 -0.709 20 0 DBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1CN1C[C@@H](C(=O)[O-])CC1=O ZINC001594251026 1016993303 /nfs/dbraw/zinc/99/33/03/1016993303.db2.gz RBQABCGVXZXWCL-AGIUHOORSA-N -1 0 311.382 -0.328 20 0 DBADRM C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001594248969 1016993488 /nfs/dbraw/zinc/99/34/88/1016993488.db2.gz FJAXJPQWLJRGFQ-WDEREUQCSA-N -1 0 323.353 -0.702 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c2ncnn21 ZINC001594253185 1016993623 /nfs/dbraw/zinc/99/36/23/1016993623.db2.gz NAWNPVMEMYNKSI-IMSYWVGJSA-N -1 0 309.326 -0.239 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c2ncnn21 ZINC001594249592 1016993740 /nfs/dbraw/zinc/99/37/40/1016993740.db2.gz OLGSFAXGVITTTA-XSPKLOCKSA-N -1 0 307.310 -0.621 20 0 DBADRM C[C@H]1[C@@H](O)CCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001594246548 1016993942 /nfs/dbraw/zinc/99/39/42/1016993942.db2.gz JTQRFBSAKXETFL-QWRGUYRKSA-N -1 0 304.343 -0.341 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c2ncnn21 ZINC001594249586 1016994097 /nfs/dbraw/zinc/99/40/97/1016994097.db2.gz OLGSFAXGVITTTA-LURQLKTLSA-N -1 0 307.310 -0.621 20 0 DBADRM C[C@]12CN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])C[C@H]1CS(=O)(=O)C2 ZINC001594246726 1016994208 /nfs/dbraw/zinc/99/42/08/1016994208.db2.gz BELCHEQRHRVFGD-QISWUMQESA-N -1 0 301.364 -0.010 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CS1 ZINC001594251483 1016994720 /nfs/dbraw/zinc/99/47/20/1016994720.db2.gz VXZMOWHAAJYPBB-XFWSIPNHSA-N -1 0 316.379 -0.709 20 0 DBADRM C[C@@H]1CC[C@H](C)N1CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594301670 1017000037 /nfs/dbraw/zinc/00/00/37/1017000037.db2.gz CLFDRVXBBHQTID-OUAUKWLOSA-N -1 0 318.395 -0.431 20 0 DBADRM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN[C@](C)(CO)C(=O)[O-] ZINC001594366569 1017000597 /nfs/dbraw/zinc/00/05/97/1017000597.db2.gz QYDPCQCYGKEYNU-GPCCPHFNSA-N -1 0 315.370 -0.184 20 0 DBADRM C[C@H]1C[C@H](S(=O)(=O)NCCC(=O)NCCC(=O)[O-])CCO1 ZINC001594265590 1016996002 /nfs/dbraw/zinc/99/60/02/1016996002.db2.gz GKPDCYWBYCJHDK-VHSXEESVSA-N -1 0 322.383 -0.546 20 0 DBADRM Cc1c(CC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cnn1C ZINC001594259864 1016997344 /nfs/dbraw/zinc/99/73/44/1016997344.db2.gz YEKHCQUMTVUDIQ-GFCCVEGCSA-N -1 0 322.365 -0.147 20 0 DBADRM C[C@H]1CCC[C@@]1(O)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001594356981 1016999068 /nfs/dbraw/zinc/99/90/68/1016999068.db2.gz HFTHDYVNSUHUSV-IINYFYTJSA-N -1 0 315.370 -0.182 20 0 DBADRM C[C@H]1CCC[C@]1(O)CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001594357243 1016999324 /nfs/dbraw/zinc/99/93/24/1016999324.db2.gz LDBZHRPLKZXRBD-CPCISQLKSA-N -1 0 303.340 -0.063 20 0 DBADRM C[C@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001594378919 1017001524 /nfs/dbraw/zinc/00/15/24/1017001524.db2.gz PEFKUAMKVZQQBE-WCBMZHEXSA-N -1 0 321.337 -0.301 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[C@@H]1CCO ZINC001594377722 1017001727 /nfs/dbraw/zinc/00/17/27/1017001727.db2.gz CJJUPUVHPKGDCC-WISYIIOYSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H]1CCCN(C(=O)CCNC(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001594379605 1017001868 /nfs/dbraw/zinc/00/18/68/1017001868.db2.gz VZFCYGMFPAPCPD-JTQLQIEISA-N -1 0 323.353 -0.259 20 0 DBADRM C[C@H]1CCCN1C(=O)CCN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594389678 1017002412 /nfs/dbraw/zinc/00/24/12/1017002412.db2.gz UHDIHGXVXGKISO-QWRGUYRKSA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001594378917 1017002854 /nfs/dbraw/zinc/00/28/54/1017002854.db2.gz PEFKUAMKVZQQBE-PSASIEDQSA-N -1 0 321.337 -0.301 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@@H]1CO ZINC001594387218 1017002874 /nfs/dbraw/zinc/00/28/74/1017002874.db2.gz BDROJFIBBIGWQA-KKOKHZNYSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1[C@@H](C)CCN1C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001594392606 1017003096 /nfs/dbraw/zinc/00/30/96/1017003096.db2.gz HUJDAFJIBDUYFK-VHSXEESVSA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C[C@@H]1CO ZINC001594392543 1017003764 /nfs/dbraw/zinc/00/37/64/1017003764.db2.gz HEVLUXOZBJDYQW-ODSPTNCSSA-N -1 0 324.377 -0.167 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])C1 ZINC001594378613 1017003779 /nfs/dbraw/zinc/00/37/79/1017003779.db2.gz LFWARRATGKZALG-QWRGUYRKSA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)[C@@H]1CO ZINC001594395188 1017004717 /nfs/dbraw/zinc/00/47/17/1017004717.db2.gz ZNEBUQFLACQMRN-VXNVDRBHSA-N -1 0 310.310 -0.714 20 0 DBADRM C[C@@H]1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C[C@H]1CO ZINC001594401003 1017005574 /nfs/dbraw/zinc/00/55/74/1017005574.db2.gz POBCXSSFNJVBSV-WOPDTQHZSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H]1CCN(CC(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1 ZINC001594414694 1017006496 /nfs/dbraw/zinc/00/64/96/1017006496.db2.gz NIFQXOCDKYWHCA-QWRGUYRKSA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](C(=O)[O-])C1 ZINC001594401084 1017006078 /nfs/dbraw/zinc/00/60/78/1017006078.db2.gz SFKFXLAZRCMEKX-VHSXEESVSA-N -1 0 309.322 -0.362 20 0 DBADRM CC1CCN(C(=O)CN2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001594400800 1017006219 /nfs/dbraw/zinc/00/62/19/1017006219.db2.gz MBKVMCTXCMFPAB-STQMWFEESA-N -1 0 323.393 -0.234 20 0 DBADRM Cc1cn2nnc(C(=O)N3CCOC[C@@H]3C(=O)[O-])c2c(=O)[nH]1 ZINC001594426848 1017008699 /nfs/dbraw/zinc/00/86/99/1017008699.db2.gz PEJIPALJBZQKHP-SSDOTTSWSA-N -1 0 307.266 -0.936 20 0 DBADRM Cc1ccn2ncc(C(=O)O[C@@H]3CCN(CC(=O)[O-])C3=O)c2n1 ZINC001594422380 1017008757 /nfs/dbraw/zinc/00/87/57/1017008757.db2.gz IMFJUZKGCTYYDM-SNVBAGLBSA-N -1 0 318.289 -0.120 20 0 DBADRM Cc1cnc(COCC(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)o1 ZINC001594430148 1017009314 /nfs/dbraw/zinc/00/93/14/1017009314.db2.gz FOXJFZAVQFLPQW-VIFPVBQESA-N -1 0 312.278 -0.272 20 0 DBADRM Cc1cnc(F)cc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594430551 1017009620 /nfs/dbraw/zinc/00/96/20/1017009620.db2.gz PZRRMUOQWXFEPE-SECBINFHSA-N -1 0 316.310 -0.147 20 0 DBADRM Cc1cnccc1CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001594434100 1017012493 /nfs/dbraw/zinc/01/24/93/1017012493.db2.gz ZKNIKFPXKJQVPS-LBPRGKRZSA-N -1 0 305.334 -0.018 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N[C@@H](CC2OCCO2)C(=O)[O-])C1 ZINC001594429488 1017010277 /nfs/dbraw/zinc/01/02/77/1017010277.db2.gz ZJKZIOUVJWIECW-IUCAKERBSA-N -1 0 308.356 -0.621 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001594427751 1017010491 /nfs/dbraw/zinc/01/04/91/1017010491.db2.gz RTZSEECOVSEIMX-SKDRFNHKSA-N -1 0 317.367 -0.122 20 0 DBADRM Cc1cn2nc(C(=O)N[C@]3(C(=O)[O-])CCOC3)cc2c(=O)[nH]1 ZINC001594427288 1017010506 /nfs/dbraw/zinc/01/05/06/1017010506.db2.gz UGJCYXLRFMITQR-CYBMUJFWSA-N -1 0 306.278 -0.695 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001594421470 1017010744 /nfs/dbraw/zinc/01/07/44/1017010744.db2.gz YTFJPAFUHDEXHG-VIFPVBQESA-N -1 0 309.322 -0.189 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)C[C@@H]2CCNC2=O)c1[O-] ZINC001428664417 1005981784 /nfs/dbraw/zinc/98/17/84/1005981784.db2.gz QPSGQDRWVIJOKQ-CBAPKCEASA-N -1 0 323.353 -0.816 20 0 DBADRM C[C@@H]1CCc2nc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])cn2C1 ZINC001594448099 1017011564 /nfs/dbraw/zinc/01/15/64/1017011564.db2.gz OXXRRTXRUKQPHO-KOLCDFICSA-N -1 0 320.349 -0.119 20 0 DBADRM Cc1cnn([C@@H]2CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C2)c1 ZINC001594434484 1017011673 /nfs/dbraw/zinc/01/16/73/1017011673.db2.gz HLAWKVSTKVNSKN-LLVKDONJSA-N -1 0 308.338 -0.102 20 0 DBADRM Cc1cnn([C@@H]2CCN(C(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)C2)c1 ZINC001594434697 1017011947 /nfs/dbraw/zinc/01/19/47/1017011947.db2.gz PEFSHRHBYPRHCR-VXGBXAGGSA-N -1 0 320.349 -0.102 20 0 DBADRM Cc1nc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001594447760 1017012013 /nfs/dbraw/zinc/01/20/13/1017012013.db2.gz ZNBSJVQCEPKEEL-JGVFFNPUSA-N -1 0 305.298 -0.323 20 0 DBADRM C[C@H]1CCS(=O)(=O)CCN1C(=O)NCCOCC(=O)[O-] ZINC001594440808 1017012061 /nfs/dbraw/zinc/01/20/61/1017012061.db2.gz ZCGHVOUAFULSTA-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)nn1C ZINC001594457002 1017017209 /nfs/dbraw/zinc/01/72/09/1017017209.db2.gz TWLRCQKIFMMGJI-IONNQARKSA-N -1 0 309.326 -0.369 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C[C@@]1(C)CO ZINC001594458313 1017017391 /nfs/dbraw/zinc/01/73/91/1017017391.db2.gz NGFJTKHQUIWICF-OSQNNJELSA-N -1 0 310.350 -0.247 20 0 DBADRM Cc1nc2ccc(NC(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)cn2n1 ZINC001594464316 1017018938 /nfs/dbraw/zinc/01/89/38/1017018938.db2.gz RPZWSDROAJJAFX-VIFPVBQESA-N -1 0 317.305 -0.091 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])C[C@@]2(CCOC2)O1 ZINC001594458809 1017018516 /nfs/dbraw/zinc/01/85/16/1017018516.db2.gz REHJLQIMHAGXRG-QMTHXVAHSA-N -1 0 314.338 -0.626 20 0 DBADRM Cc1nc(Cn2nnc(C(=O)N3CC[C@H](C(=O)[O-])C3)c2C)no1 ZINC001594456972 1017018667 /nfs/dbraw/zinc/01/86/67/1017018667.db2.gz CILSIIAQMXCGGC-VIFPVBQESA-N -1 0 320.309 -0.127 20 0 DBADRM O=C(CCC(F)F)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001440248483 1006028090 /nfs/dbraw/zinc/02/80/90/1006028090.db2.gz BQROMBQIRVXXEM-QMMMGPOBSA-N -1 0 319.312 -0.127 20 0 DBADRM C[C@@H]1CCc2nc(C(=O)N[C@@H](Cn3cncn3)C(=O)[O-])cn2C1 ZINC001594448149 1017012725 /nfs/dbraw/zinc/01/27/25/1017012725.db2.gz PPKORUQHQSJULZ-KOLCDFICSA-N -1 0 318.337 -0.060 20 0 DBADRM C[C@@H]1CCS(=O)(=O)CCN1C(=O)NCCOCC(=O)[O-] ZINC001594440807 1017012779 /nfs/dbraw/zinc/01/27/79/1017012779.db2.gz ZCGHVOUAFULSTA-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM Cc1nc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)nn1C ZINC001594456522 1017014492 /nfs/dbraw/zinc/01/44/92/1017014492.db2.gz GFTFTTNCTXGOBM-VIFPVBQESA-N -1 0 309.326 -0.321 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C[C@]1(C)CO ZINC001594458315 1017018901 /nfs/dbraw/zinc/01/89/01/1017018901.db2.gz NGFJTKHQUIWICF-XDMRBOTDSA-N -1 0 310.350 -0.247 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)CC(=O)N1 ZINC001594455243 1017015223 /nfs/dbraw/zinc/01/52/23/1017015223.db2.gz SBAMOYROJZDTRB-YMTOWFKASA-N -1 0 311.338 -0.953 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001428816267 1006060462 /nfs/dbraw/zinc/06/04/62/1006060462.db2.gz WNEPGSXORJMZLH-IWSPIJDZSA-N -1 0 314.317 -0.527 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC(C)(C)O1 ZINC001594453759 1017015755 /nfs/dbraw/zinc/01/57/55/1017015755.db2.gz JHPCVCCVQGXVOO-NXEZZACHSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2sccc2C(=O)[O-])CC(=O)N1 ZINC001594458507 1017019187 /nfs/dbraw/zinc/01/91/87/1017019187.db2.gz IHMFYAIJRNIZHA-ZCFIWIBFSA-N -1 0 311.319 -0.268 20 0 DBADRM Cc1nc(Cn2nnc(NC(=O)NCCC(=O)[O-])c2C)no1 ZINC001594457416 1017019546 /nfs/dbraw/zinc/01/95/46/1017019546.db2.gz KXGZQOJQXDNJSB-UHFFFAOYSA-N -1 0 309.286 -0.078 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CC(=O)N1 ZINC001594459139 1017019576 /nfs/dbraw/zinc/01/95/76/1017019576.db2.gz UKIUSXJJRKARHN-QMMMGPOBSA-N -1 0 305.290 -0.330 20 0 DBADRM C[C@H]1CN(C(=O)CN[C@@H](Cc2cncs2)C(=O)[O-])CCO1 ZINC001594467265 1017020656 /nfs/dbraw/zinc/02/06/56/1017020656.db2.gz BSQDWIUCQASUFE-ONGXEEELSA-N -1 0 313.379 -0.024 20 0 DBADRM C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001594466802 1017021369 /nfs/dbraw/zinc/02/13/69/1017021369.db2.gz PVFAYUVCJPOBNI-WCBMZHEXSA-N -1 0 321.337 -0.443 20 0 DBADRM Cc1ncc(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)o1 ZINC001594469786 1017021412 /nfs/dbraw/zinc/02/14/12/1017021412.db2.gz XXPVEXYEQFKHGE-UHFFFAOYSA-N -1 0 307.266 -0.481 20 0 DBADRM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)NCCC(=O)[O-] ZINC001594469983 1017021850 /nfs/dbraw/zinc/02/18/50/1017021850.db2.gz YAVOYXLANOSMFH-NSHDSACASA-N -1 0 306.322 -0.130 20 0 DBADRM C[C@H]1CN(C(=O)COCc2ocnc2C(=O)[O-])CC(=O)N1C ZINC001594468142 1017022090 /nfs/dbraw/zinc/02/20/90/1017022090.db2.gz MQQYUMFJCFRJDX-QMMMGPOBSA-N -1 0 311.294 -0.422 20 0 DBADRM C[C@@H]1CN(C(=O)CN[C@@H](Cc2cncs2)C(=O)[O-])CCO1 ZINC001594467263 1017022533 /nfs/dbraw/zinc/02/25/33/1017022533.db2.gz BSQDWIUCQASUFE-KOLCDFICSA-N -1 0 313.379 -0.024 20 0 DBADRM Cc1ncc(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1C ZINC001594468995 1017022821 /nfs/dbraw/zinc/02/28/21/1017022821.db2.gz UJUIHXSAVKCXII-CABZTGNLSA-N -1 0 315.351 -0.550 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001594469171 1017023461 /nfs/dbraw/zinc/02/34/61/1017023461.db2.gz XQLLNZXXGLPAQF-ZETCQYMHSA-N -1 0 315.351 -0.170 20 0 DBADRM Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)NCCC(=O)[O-] ZINC001594469982 1017023474 /nfs/dbraw/zinc/02/34/74/1017023474.db2.gz YAVOYXLANOSMFH-LLVKDONJSA-N -1 0 306.322 -0.130 20 0 DBADRM CN(CCCN(C)C(=O)c1cncnc1)Cc1n[nH]c(=O)[n-]1 ZINC001440439328 1006127546 /nfs/dbraw/zinc/12/75/46/1006127546.db2.gz ZKWQLQNJGDUXGP-UHFFFAOYSA-N -1 0 305.342 -0.106 20 0 DBADRM CN(C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1)[C@H]1CCSC1 ZINC001597981639 1017225391 /nfs/dbraw/zinc/22/53/91/1017225391.db2.gz DZQFQTYCCTXMKQ-UWVGGRQHSA-N -1 0 316.379 -0.348 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H](C)CC(N)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001440447075 1006131875 /nfs/dbraw/zinc/13/18/75/1006131875.db2.gz IJCLSPXDMBBYRQ-LPEHRKFASA-N -1 0 324.385 -0.509 20 0 DBADRM Cc1nccn1CCCNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001594472006 1017026123 /nfs/dbraw/zinc/02/61/23/1017026123.db2.gz XTUQJXWQLJMOHM-JTQLQIEISA-N -1 0 310.354 -0.123 20 0 DBADRM C[C@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])C[C@H](C)C1O ZINC001594472514 1017026398 /nfs/dbraw/zinc/02/63/98/1017026398.db2.gz AIUNXDLIRSGFSQ-UWVGGRQHSA-N -1 0 315.370 -0.374 20 0 DBADRM CC[C@@H](C)C(=O)NCC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001428974390 1006155234 /nfs/dbraw/zinc/15/52/34/1006155234.db2.gz NMHCYECWHMAHCN-HTQZYQBOSA-N -1 0 311.342 -0.047 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)o1 ZINC001594490907 1017027662 /nfs/dbraw/zinc/02/76/62/1017027662.db2.gz UYNHDFIBAUWAQY-APPZFPTMSA-N -1 0 310.310 -0.122 20 0 DBADRM Cc1nnsc1CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001594494973 1017027979 /nfs/dbraw/zinc/02/79/79/1017027979.db2.gz CGBOYLLZNAFTHN-MRVPVSSYSA-N -1 0 312.351 -0.214 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1C ZINC001594491214 1017028302 /nfs/dbraw/zinc/02/83/02/1017028302.db2.gz LFJKZUXJTBDEJT-DTWKUNHWSA-N -1 0 309.326 -0.891 20 0 DBADRM Cc1nn(CC(=O)OCC2(C(=O)[O-])CCOCC2)c(=O)n1C ZINC001594487640 1017028395 /nfs/dbraw/zinc/02/83/95/1017028395.db2.gz VYLZBAFVHZYCTH-UHFFFAOYSA-N -1 0 313.310 -0.685 20 0 DBADRM Cc1nnc2n1CCN(CCS(=O)(=O)CC(=O)[O-])[C@H]2C ZINC001594494433 1017028412 /nfs/dbraw/zinc/02/84/12/1017028412.db2.gz FWXRPCCCQMZRMB-QMMMGPOBSA-N -1 0 302.356 -0.537 20 0 DBADRM Cc1nnc(CCNC(=O)c2cccn(CC(=O)[O-])c2=O)n1C ZINC001594491352 1017028483 /nfs/dbraw/zinc/02/84/83/1017028483.db2.gz UUJALJMCANIBHW-UHFFFAOYSA-N -1 0 319.321 -0.658 20 0 DBADRM Cc1noc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)n1 ZINC001594495183 1017028724 /nfs/dbraw/zinc/02/87/24/1017028724.db2.gz GCHJYHATVCNFJP-SECBINFHSA-N -1 0 322.321 -0.084 20 0 DBADRM Cc1nn(CCS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c(=O)o1 ZINC001594489506 1017028963 /nfs/dbraw/zinc/02/89/63/1017028963.db2.gz ZSEMKAGNQXSELU-SECBINFHSA-N -1 0 319.339 -0.729 20 0 DBADRM Cc1conc1CN(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001496737954 1017029044 /nfs/dbraw/zinc/02/90/44/1017029044.db2.gz OCVPIOVWEKNCPD-UHFFFAOYSA-N -1 0 322.325 -0.217 20 0 DBADRM Cc1nnc(CCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])o1 ZINC001594490995 1017029278 /nfs/dbraw/zinc/02/92/78/1017029278.db2.gz VMGDMTKMEVIBMS-QMMMGPOBSA-N -1 0 317.323 -0.979 20 0 DBADRM Cc1nn(CCS(=O)(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)o1 ZINC001594489060 1017029683 /nfs/dbraw/zinc/02/96/83/1017029683.db2.gz ORWFXQJOCLMCDT-QMMMGPOBSA-N -1 0 307.328 -0.827 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@H](C)N(CCO)C[C@H]2C)O[C@H]1C(=O)[O-] ZINC001594485651 1017030069 /nfs/dbraw/zinc/03/00/69/1017030069.db2.gz MSGKAOGPTTYSHO-NZEXEKPDSA-N -1 0 314.382 -0.222 20 0 DBADRM Cc1nn(CC(=O)NCC(=O)[O-])c(C)c1[C@@H]1COCCN1C ZINC001594487748 1017030197 /nfs/dbraw/zinc/03/01/97/1017030197.db2.gz YBOSNWVYXKJZSJ-NSHDSACASA-N -1 0 310.354 -0.296 20 0 DBADRM C[C@@H]1CN(CC(=O)NCCC(=O)[O-])C[C@]2(CCCOC2)O1 ZINC001594508696 1017030814 /nfs/dbraw/zinc/03/08/14/1017030814.db2.gz YOSJDUVDLOMDSO-RISCZKNCSA-N -1 0 300.355 -0.153 20 0 DBADRM C[C@@H]1CN([C@@H]2CCN(CCC(=O)[O-])C2=O)C[C@@H](C)S1=O ZINC001594507954 1017031765 /nfs/dbraw/zinc/03/17/65/1017031765.db2.gz PGELCTZEACJGKM-GMTAPVOTSA-N -1 0 302.396 -0.097 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001429088418 1006224091 /nfs/dbraw/zinc/22/40/91/1006224091.db2.gz VSJOVVUXHJIHHH-RKDXNWHRSA-N -1 0 313.358 -0.254 20 0 DBADRM C[C@@H]1CN([C@H]2CCN(CCC(=O)[O-])C2=O)C[C@@H](C)S1=O ZINC001594507956 1017033617 /nfs/dbraw/zinc/03/36/17/1017033617.db2.gz PGELCTZEACJGKM-MXWKQRLJSA-N -1 0 302.396 -0.097 20 0 DBADRM CC(C)(C)C(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001429127322 1006239952 /nfs/dbraw/zinc/23/99/52/1006239952.db2.gz VHZWDZMOGMCESD-OCAPTIKFSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1CS(=O)(=O)C1 ZINC001594514383 1017036796 /nfs/dbraw/zinc/03/67/96/1017036796.db2.gz GQEVAGKTHRFSEU-VIFPVBQESA-N -1 0 304.368 -0.962 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[C@H]2C[C@H]2C1 ZINC001594513337 1017037953 /nfs/dbraw/zinc/03/79/53/1017037953.db2.gz JJOLIIHJWPWRGS-AGIUHOORSA-N -1 0 323.393 -0.138 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)CCc2nnc[nH]2)c1[O-] ZINC001429211266 1006289031 /nfs/dbraw/zinc/28/90/31/1006289031.db2.gz KINSTTYFSNXGBV-UHFFFAOYSA-N -1 0 321.341 -0.637 20 0 DBADRM COC[C@H](OC)C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001429221099 1006294581 /nfs/dbraw/zinc/29/45/81/1006294581.db2.gz XJLDSOZHTAZRJS-VIFPVBQESA-N -1 0 314.342 -0.727 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NCc2cnn(C)n2)c1[O-] ZINC001440780705 1006302987 /nfs/dbraw/zinc/30/29/87/1006302987.db2.gz VBYQCWJJHIQAET-JGVFFNPUSA-N -1 0 307.358 -0.151 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NCc2cnn(C)n2)c1[O-] ZINC001440780709 1006304260 /nfs/dbraw/zinc/30/42/60/1006304260.db2.gz VBYQCWJJHIQAET-YUMQZZPRSA-N -1 0 307.358 -0.151 20 0 DBADRM C[C@H]1CN(CCO)CCN1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001594530871 1017040907 /nfs/dbraw/zinc/04/09/07/1017040907.db2.gz DUJRYNZRNIKSLZ-QJPTWQEYSA-N -1 0 315.370 -0.816 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001594526839 1017041209 /nfs/dbraw/zinc/04/12/09/1017041209.db2.gz FEGFTQPBOOMQBS-KXNHARMFSA-N -1 0 300.355 -0.156 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)NCc1ncccn1 ZINC001440850862 1006330100 /nfs/dbraw/zinc/33/01/00/1006330100.db2.gz UZRQVVSMPKEILX-DTWKUNHWSA-N -1 0 321.341 -0.838 20 0 DBADRM C[C@@H](NCc1ncccn1)[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001440850871 1006333328 /nfs/dbraw/zinc/33/33/28/1006333328.db2.gz UZRQVVSMPKEILX-RKDXNWHRSA-N -1 0 321.341 -0.838 20 0 DBADRM C[C@@H]1CN(Cc2cnon2)[C@H](C(=O)[O-])CN1Cc1cnon1 ZINC001594548067 1017041955 /nfs/dbraw/zinc/04/19/55/1017041955.db2.gz QFEPGXRKTUEAEB-KCJUWKMLSA-N -1 0 308.298 -0.388 20 0 DBADRM C[C@H](NCc1ncccn1)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001440850867 1006334726 /nfs/dbraw/zinc/33/47/26/1006334726.db2.gz UZRQVVSMPKEILX-IUCAKERBSA-N -1 0 321.341 -0.838 20 0 DBADRM C[C@H](C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1)n1cccn1 ZINC001440897697 1006342707 /nfs/dbraw/zinc/34/27/07/1006342707.db2.gz CUENUSBTIOASCL-VHSXEESVSA-N -1 0 307.358 -0.096 20 0 DBADRM C[C@@H](CNC(=O)C[C@H]1COC(=O)C1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440911694 1006352192 /nfs/dbraw/zinc/35/21/92/1006352192.db2.gz HHZYNOSQMYRCNJ-DTWKUNHWSA-N -1 0 311.342 -0.600 20 0 DBADRM C[C@H]1CN(CCNC(=O)Cn2cc(C(=O)[O-])cn2)[C@@H](C)CO1 ZINC001594527955 1017044472 /nfs/dbraw/zinc/04/44/72/1017044472.db2.gz QFFPPMADUFFUJQ-QWRGUYRKSA-N -1 0 310.354 -0.193 20 0 DBADRM C[C@H]1CN(CCc2cn(CC(=O)[O-])nn2)CC[S@@](=O)C1 ZINC001594531955 1017044850 /nfs/dbraw/zinc/04/48/50/1017044850.db2.gz QWYNISVVRZRZHT-WVDJIFEKSA-N -1 0 300.384 -0.394 20 0 DBADRM C[C@H]1CN(c2nnnn2[C@H]2CC=C(C(=O)[O-])C2)CC(=O)N1C ZINC001594583396 1017045499 /nfs/dbraw/zinc/04/54/99/1017045499.db2.gz GTEJTGGIPLKGTL-WPRPVWTQSA-N -1 0 306.326 -0.314 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])CC[S@](=O)C1 ZINC001594555087 1017045582 /nfs/dbraw/zinc/04/55/82/1017045582.db2.gz ISRNDMAPBMLNHW-YYSFKGJASA-N -1 0 312.413 -0.662 20 0 DBADRM C[C@H](CNC(=O)CCc1cncnc1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440952807 1006386640 /nfs/dbraw/zinc/38/66/40/1006386640.db2.gz YPFUGWCTWPNOKI-SNVBAGLBSA-N -1 0 319.369 -0.130 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C[C@@H](CO)O1 ZINC001594551281 1017047079 /nfs/dbraw/zinc/04/70/79/1017047079.db2.gz YXZIUJLAKOFATD-ZJUUUORDSA-N -1 0 307.368 -0.347 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)CCCc2nnn[n-]2)CC1 ZINC001441005573 1006414018 /nfs/dbraw/zinc/41/40/18/1006414018.db2.gz BBWDSBXRVVFVLP-UHFFFAOYSA-N -1 0 316.387 -0.937 20 0 DBADRM C[C@@H]1COC[C@H]1NC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001594594112 1017049662 /nfs/dbraw/zinc/04/96/62/1017049662.db2.gz ZJGMLFHAHLMRSS-GMTAPVOTSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@H]1COCC[C@@H]1NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001594602492 1017049932 /nfs/dbraw/zinc/04/99/32/1017049932.db2.gz DPEADQNLTNAOPJ-NAKRPEOUSA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@@H]1NC(=O)CC[C@@H]1c1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1C ZINC001594630842 1017054029 /nfs/dbraw/zinc/05/40/29/1017054029.db2.gz WULOFDPSDDLGIE-LPEHRKFASA-N -1 0 323.353 -0.513 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594639688 1017054806 /nfs/dbraw/zinc/05/48/06/1017054806.db2.gz JBOXGSJGXLPOID-RMLUDKJBSA-N -1 0 323.305 -0.626 20 0 DBADRM C[C@@H]1OCCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)[C@H]1C ZINC001594649675 1017055009 /nfs/dbraw/zinc/05/50/09/1017055009.db2.gz YVYNXOJLJJKPQC-DCAQKATOSA-N -1 0 314.338 -0.676 20 0 DBADRM Cc1nc([C@H](C)N2CC(CCO)(NC(=O)c3cn[nH]n3)C2)no1 ZINC001441042186 1006441586 /nfs/dbraw/zinc/44/15/86/1006441586.db2.gz GYJAEJXLVUAJEG-QMMMGPOBSA-N -1 0 321.341 -0.576 20 0 DBADRM C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NCCCC(=O)[O-])CCO2 ZINC001594643396 1017055374 /nfs/dbraw/zinc/05/53/74/1017055374.db2.gz UQOMMXHOTCJZTD-HZMBPMFUSA-N -1 0 314.338 -0.626 20 0 DBADRM C[C@H]1OCC[C@]12CN(Cn1nc(C(=O)[O-])ccc1=O)CCO2 ZINC001594641786 1017056154 /nfs/dbraw/zinc/05/61/54/1017056154.db2.gz BHOGVXUPVQQXJG-YGRLFVJLSA-N -1 0 309.322 -0.221 20 0 DBADRM C[C@@H]1Oc2c(cccc2C(=O)N2CC(O)(C(=O)[O-])C2)NC1=O ZINC001594651174 1017056160 /nfs/dbraw/zinc/05/61/60/1017056160.db2.gz OQDQDPFQCYONLH-ZETCQYMHSA-N -1 0 306.274 -0.323 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001594649503 1017056440 /nfs/dbraw/zinc/05/64/40/1017056440.db2.gz XCYDELKEEJRQGM-JBLDHEPKSA-N -1 0 317.367 -0.177 20 0 DBADRM C[C@@H]1OCC[C@H]1C(=O)N(C)CCNc1ccnc(C(=O)[O-])n1 ZINC001594643152 1017056515 /nfs/dbraw/zinc/05/65/15/1017056515.db2.gz RJFTZOSXYLVQNI-VHSXEESVSA-N -1 0 308.338 -0.108 20 0 DBADRM C[C@H]1COCC[C@H]1CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001594598641 1017050413 /nfs/dbraw/zinc/05/04/13/1017050413.db2.gz YAPMMHDPDYOSND-IUCAKERBSA-N -1 0 324.337 -0.154 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001594597117 1017050654 /nfs/dbraw/zinc/05/06/54/1017050654.db2.gz CFLDBWMCJVEREI-YFKTTZPYSA-N -1 0 301.339 -0.136 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429530899 1006463499 /nfs/dbraw/zinc/46/34/99/1006463499.db2.gz VDZWSVDATWHYOJ-HTQZYQBOSA-N -1 0 309.326 -0.483 20 0 DBADRM C[C@H]1CN(S(=O)(=O)[C@@H]2CCOC[C@@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001594604504 1017050964 /nfs/dbraw/zinc/05/09/64/1017050964.db2.gz QHPWKLJJUIQWGB-XWLWVQCSSA-N -1 0 307.368 -0.085 20 0 DBADRM CC(C)[C@H](C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001429534745 1006464664 /nfs/dbraw/zinc/46/46/64/1006464664.db2.gz YKECFBDDEAMKDF-DTWKUNHWSA-N -1 0 323.353 -0.094 20 0 DBADRM CCN(CCNC(=O)C1=COCCO1)C(=O)c1n[nH]c(C)c1[O-] ZINC001429528917 1006464932 /nfs/dbraw/zinc/46/49/32/1006464932.db2.gz UEDPSSFVFIFRAZ-UHFFFAOYSA-N -1 0 324.337 -0.110 20 0 DBADRM C[C@H]1CN(C(=O)NCCN2CCOC[C@@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001594607311 1017051038 /nfs/dbraw/zinc/05/10/38/1017051038.db2.gz HLFWQLGTRHNKLU-SRVKXCTJSA-N -1 0 315.370 -0.409 20 0 DBADRM C[C@@H]1OCC[C@@H]1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594641963 1017056667 /nfs/dbraw/zinc/05/66/67/1017056667.db2.gz FJAGETCHHNVNCC-IUCAKERBSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C(=O)[O-])n1C ZINC001594609888 1017052109 /nfs/dbraw/zinc/05/21/09/1017052109.db2.gz LTSIVRHJICVDMX-MRVPVSSYSA-N -1 0 300.336 -0.018 20 0 DBADRM C[C@@H]1Cc2cccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c2O1 ZINC001594619625 1017052207 /nfs/dbraw/zinc/05/22/07/1017052207.db2.gz GDOHLBOTEVVRLG-APPZFPTMSA-N -1 0 301.320 -0.266 20 0 DBADRM C[C@@H]1NC(=O)[C@H](C)N(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H]1C ZINC001594629387 1017052566 /nfs/dbraw/zinc/05/25/66/1017052566.db2.gz HITGEGMVBCTHRH-ACZMJKKPSA-N -1 0 316.339 -0.606 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCSC[C@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001594614064 1017052779 /nfs/dbraw/zinc/05/27/79/1017052779.db2.gz XESCXCRECRWFSL-BBBLOLIVSA-N -1 0 316.379 -0.349 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594629211 1017053525 /nfs/dbraw/zinc/05/35/25/1017053525.db2.gz GAGOOTREFPBQAK-RRKCRQDMSA-N -1 0 317.323 -0.341 20 0 DBADRM C[C@@H]1CSCCN1C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001594613622 1017053681 /nfs/dbraw/zinc/05/36/81/1017053681.db2.gz PKDJWXSOIXAMMA-KXUCPTDWSA-N -1 0 316.379 -0.756 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001594609659 1017053722 /nfs/dbraw/zinc/05/37/22/1017053722.db2.gz IYNJOSKSLJPCLG-VIFPVBQESA-N -1 0 312.347 -0.032 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCSC[C@@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001594614062 1017053821 /nfs/dbraw/zinc/05/38/21/1017053821.db2.gz XESCXCRECRWFSL-AEJSXWLSSA-N -1 0 316.379 -0.349 20 0 DBADRM C[C@@H]1c2nncn2CCN1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001594671565 1017057659 /nfs/dbraw/zinc/05/76/59/1017057659.db2.gz RSSWZXOOUPAPAW-MRVPVSSYSA-N -1 0 320.313 -0.646 20 0 DBADRM C/C=C(\C)C(=O)N(CCO)CCNc1ccnc(C(=O)[O-])n1 ZINC001594674608 1017057763 /nfs/dbraw/zinc/05/77/63/1017057763.db2.gz UAAKRPQDXDVYEX-XCVCLJGOSA-N -1 0 308.338 -0.204 20 0 DBADRM CCC(=O)N1CC[C@H](NS(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001594699725 1017058117 /nfs/dbraw/zinc/05/81/17/1017058117.db2.gz FRBDZQQOONGLOZ-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@H]1c2nncn2CCN1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001594671566 1017058158 /nfs/dbraw/zinc/05/81/58/1017058158.db2.gz RSSWZXOOUPAPAW-QMMMGPOBSA-N -1 0 320.313 -0.646 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])C1 ZINC001594694863 1017058206 /nfs/dbraw/zinc/05/82/06/1017058206.db2.gz AEUWLMXOYFNPIW-MNOVXSKESA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1cn[nH]c1 ZINC001594657997 1017058399 /nfs/dbraw/zinc/05/83/99/1017058399.db2.gz LCWNBNMEFSMLDD-IONNQARKSA-N -1 0 312.351 -0.096 20 0 DBADRM C[C@H]1Oc2ccccc2N(CC(=O)N[C@](C)(CO)C(=O)[O-])C1=O ZINC001594655203 1017058591 /nfs/dbraw/zinc/05/85/91/1017058591.db2.gz OPMXABGXJPTJGR-RFAUZJTJSA-N -1 0 322.317 -0.248 20 0 DBADRM C[C@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)c1ccncn1 ZINC001594658569 1017059195 /nfs/dbraw/zinc/05/91/95/1017059195.db2.gz NXLHWKBYJXOEEB-SCZZXKLOSA-N -1 0 324.362 -0.029 20 0 DBADRM CCC(=O)Nc1cccc(C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001594713232 1017060099 /nfs/dbraw/zinc/06/00/99/1017060099.db2.gz LWWBBSMHIZSRNH-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001594705540 1017060442 /nfs/dbraw/zinc/06/04/42/1017060442.db2.gz HPVVWHFDSJPGAZ-VGMNWLOBSA-N -1 0 302.352 -0.656 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001594706310 1017060737 /nfs/dbraw/zinc/06/07/37/1017060737.db2.gz OHSYZEDCUIHCCY-HLTSFMKQSA-N -1 0 300.311 -0.767 20 0 DBADRM CCC(=O)N1CCN(CCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001594705347 1017061751 /nfs/dbraw/zinc/06/17/51/1017061751.db2.gz FKQNXTHUCGLRCQ-VXGBXAGGSA-N -1 0 311.382 -0.280 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001594706112 1017061830 /nfs/dbraw/zinc/06/18/30/1017061830.db2.gz LENGQASTOTYOEX-QMMMGPOBSA-N -1 0 309.326 -0.382 20 0 DBADRM CCCN(CCNC(C)=O)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001429764801 1006554985 /nfs/dbraw/zinc/55/49/85/1006554985.db2.gz KVRIFJFNMSCJIX-UHFFFAOYSA-N -1 0 311.342 -0.410 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001594747665 1017062698 /nfs/dbraw/zinc/06/26/98/1017062698.db2.gz AZKBVQZZPBKHBT-GUBZILKMSA-N -1 0 306.384 -0.069 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001594745004 1017062883 /nfs/dbraw/zinc/06/28/83/1017062883.db2.gz HSCYLEHCCMZSKE-BXKDBHETSA-N -1 0 305.352 -0.487 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N[C@H]1CCN(c2cc(=O)n(C)c(=O)[nH]2)C1 ZINC001594748532 1017063135 /nfs/dbraw/zinc/06/31/35/1017063135.db2.gz KEBRJSCJQHUMRV-IUCAKERBSA-N -1 0 324.337 -0.708 20 0 DBADRM CC[C@](C)(NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001594853498 1017067608 /nfs/dbraw/zinc/06/76/08/1017067608.db2.gz YTPXUQYQTZLWBD-CABZTGNLSA-N -1 0 304.368 -0.078 20 0 DBADRM CC[C@@](C)(O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001594853909 1017067790 /nfs/dbraw/zinc/06/77/90/1017067790.db2.gz PHUJZPWGVGHGBS-KGLIPLIRSA-N -1 0 300.355 -0.465 20 0 DBADRM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001594867489 1017067828 /nfs/dbraw/zinc/06/78/28/1017067828.db2.gz RASQHHUGZVTAPU-RKDXNWHRSA-N -1 0 316.379 -0.408 20 0 DBADRM CC[C@@](C)(OC)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001594861671 1017067910 /nfs/dbraw/zinc/06/79/10/1017067910.db2.gz HOYZFHXMPWVJJS-XXILOJSOSA-N -1 0 307.368 -0.194 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001441320025 1006581862 /nfs/dbraw/zinc/58/18/62/1006581862.db2.gz LSRHVYPZYRHUGJ-UHFFFAOYSA-N -1 0 305.294 -0.384 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCN(CC(=O)NCCOC)CC1 ZINC001594745165 1017063615 /nfs/dbraw/zinc/06/36/15/1017063615.db2.gz LZAZUMCKTGQMAL-LLVKDONJSA-N -1 0 315.370 -0.996 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001594745192 1017063839 /nfs/dbraw/zinc/06/38/39/1017063839.db2.gz MWYWCMUIXBFEOI-JQWIXIFHSA-N -1 0 311.382 -0.092 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC001594744986 1017064315 /nfs/dbraw/zinc/06/43/15/1017064315.db2.gz HFMSRAVGPHQRRJ-LLVKDONJSA-N -1 0 320.349 -0.060 20 0 DBADRM CC[C@@](C)(NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001594840241 1017066428 /nfs/dbraw/zinc/06/64/28/1017066428.db2.gz GQKGZDYXSOBPAI-BXKDBHETSA-N -1 0 306.384 -0.525 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(=O)OC ZINC001594852970 1017066450 /nfs/dbraw/zinc/06/64/50/1017066450.db2.gz ATOYBDZVFHMMMY-SNVBAGLBSA-N -1 0 305.312 -0.272 20 0 DBADRM O=C(CCc1nnn[n-]1)NCC(=O)NCCc1ccccc1 ZINC001441412495 1006634119 /nfs/dbraw/zinc/63/41/19/1006634119.db2.gz KBTXAHYTXCUQMH-UHFFFAOYSA-N -1 0 302.338 -0.393 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NCc2cnn(C)n2)c1[O-] ZINC001441513625 1006695755 /nfs/dbraw/zinc/69/57/55/1006695755.db2.gz MWJGKYAIPUXPLS-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NCc1ncccn1 ZINC001441551561 1006716930 /nfs/dbraw/zinc/71/69/30/1006716930.db2.gz YVXVRKLVLOZAAU-MRVPVSSYSA-N -1 0 319.325 -0.677 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2cnoc2C)c1[O-] ZINC001441684140 1006805653 /nfs/dbraw/zinc/80/56/53/1006805653.db2.gz MEQKPQJNIRUOGY-JTQLQIEISA-N -1 0 309.326 -0.399 20 0 DBADRM Cc1ccc(CC(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)o1 ZINC001441695794 1006814017 /nfs/dbraw/zinc/81/40/17/1006814017.db2.gz JXDLJZLARQBMGS-VIFPVBQESA-N -1 0 309.326 -0.779 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H](F)c1ccccc1 ZINC001441754174 1006854516 /nfs/dbraw/zinc/85/45/16/1006854516.db2.gz IZQZMESRLOWJOT-CMPLNLGQSA-N -1 0 323.328 -0.212 20 0 DBADRM CC[C@@H](CNC(=O)C1CC1)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001430496848 1006873382 /nfs/dbraw/zinc/87/33/82/1006873382.db2.gz JJSVZAQXUVXOOD-VIFPVBQESA-N -1 0 323.353 -0.364 20 0 DBADRM CC[C@H](CNC(=O)C1CC1)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001430496841 1006873664 /nfs/dbraw/zinc/87/36/64/1006873664.db2.gz JJSVZAQXUVXOOD-SECBINFHSA-N -1 0 323.353 -0.364 20 0 DBADRM CN(C(=O)c1cnccn1)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001598097708 1017233467 /nfs/dbraw/zinc/23/34/67/1017233467.db2.gz IVPOMYRTVIGVLQ-NXEZZACHSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NC2CC(C(=O)[O-])C2)O1 ZINC001598118811 1017233887 /nfs/dbraw/zinc/23/38/87/1017233887.db2.gz ONMATVUTJKNDQZ-LXKPXOPUSA-N -1 0 313.354 -0.215 20 0 DBADRM CN(C(=O)c1cnccn1)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598097709 1017233957 /nfs/dbraw/zinc/23/39/57/1017233957.db2.gz IVPOMYRTVIGVLQ-UWVGGRQHSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)Cn2ccc(C(=O)[O-])n2)O1 ZINC001598116770 1017234554 /nfs/dbraw/zinc/23/45/54/1017234554.db2.gz FLHOFYPMFOAOJH-KOLCDFICSA-N -1 0 324.337 -0.667 20 0 DBADRM CN([C@@H](COC1CCC1)C(=O)[O-])S(=O)(=O)N1CCOCC1 ZINC001598111206 1017234760 /nfs/dbraw/zinc/23/47/60/1017234760.db2.gz WANBPMVUGJZYPF-NSHDSACASA-N -1 0 322.383 -0.483 20 0 DBADRM CN(C)C(=O)CCNC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001598126034 1017236163 /nfs/dbraw/zinc/23/61/63/1017236163.db2.gz FQGKFKXAOWOKHM-VIFPVBQESA-N -1 0 303.384 -0.076 20 0 DBADRM CN(C)C(=O)CCNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598126653 1017237003 /nfs/dbraw/zinc/23/70/03/1017237003.db2.gz PPNLFNNMIOWZFP-ZDUSSCGKSA-N -1 0 312.326 -0.520 20 0 DBADRM CN(C)C(=O)N1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001598138942 1017238563 /nfs/dbraw/zinc/23/85/63/1017238563.db2.gz CIGPWUBPASHYOL-UHFFFAOYSA-N -1 0 319.383 -0.520 20 0 DBADRM CN(C)C(=O)OCCNC(=O)COCc1ocnc1C(=O)[O-] ZINC001598145976 1017238704 /nfs/dbraw/zinc/23/87/04/1017238704.db2.gz UXHZSQZLOYHBCN-UHFFFAOYSA-N -1 0 315.282 -0.296 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(CN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC001598138644 1017239034 /nfs/dbraw/zinc/23/90/34/1017239034.db2.gz CKYBGLWKAWELBN-GHMZBOCLSA-N -1 0 312.370 -0.435 20 0 DBADRM CN(C)C(=O)Nc1cccc(C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001598145474 1017239069 /nfs/dbraw/zinc/23/90/69/1017239069.db2.gz YAGDAYZMDFZQGK-UHFFFAOYSA-N -1 0 322.321 -0.289 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001598139407 1017239401 /nfs/dbraw/zinc/23/94/01/1017239401.db2.gz YXRMRRCSXGZXQP-SECBINFHSA-N -1 0 324.341 -0.809 20 0 DBADRM CN(C)C(=O)NCCN(C)C(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001598139937 1017239849 /nfs/dbraw/zinc/23/98/49/1017239849.db2.gz JIUXRSMIYODMFT-UHFFFAOYSA-N -1 0 310.314 -0.090 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)NOCCCC(=O)[O-])n1 ZINC001598134809 1017240047 /nfs/dbraw/zinc/24/00/47/1017240047.db2.gz APSKCEXOOIETSK-UHFFFAOYSA-N -1 0 314.302 -0.716 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001598139490 1017240167 /nfs/dbraw/zinc/24/01/67/1017240167.db2.gz PQPBKUSDSRTQPB-LLVKDONJSA-N -1 0 323.353 -0.157 20 0 DBADRM CN(C)[C@H](C(=O)N1CCC(O)(C(=O)[O-])CC1)c1cncn1C ZINC001598163615 1017240432 /nfs/dbraw/zinc/24/04/32/1017240432.db2.gz UZCWUJYTFILWFB-NSHDSACASA-N -1 0 310.354 -0.539 20 0 DBADRM CN(C)[C@]1(C(=O)NCC[C@H](O)C(=O)[O-])COc2ccccc2C1 ZINC001598175668 1017240598 /nfs/dbraw/zinc/24/05/98/1017240598.db2.gz DNKSHYSHZSSTCV-LRDDRELGSA-N -1 0 322.361 -0.126 20 0 DBADRM CN(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccco1 ZINC001598169474 1017241827 /nfs/dbraw/zinc/24/18/27/1017241827.db2.gz GLRZEQXOAPTJJS-GHMZBOCLSA-N -1 0 323.349 -0.068 20 0 DBADRM CN(C(=O)[C@@H](O)c1cnn(C)c1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001597991732 1017226228 /nfs/dbraw/zinc/22/62/28/1017226228.db2.gz UWQFNNMSWGUDHL-RYUDHWBXSA-N -1 0 311.338 -0.066 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(CCNC(=O)C2CC2)C1 ZINC001597998114 1017226493 /nfs/dbraw/zinc/22/64/93/1017226493.db2.gz HAUOJWGTKBFHLW-NEPJUHHUSA-N -1 0 309.366 -0.624 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cnccn2)C1 ZINC001597998265 1017226832 /nfs/dbraw/zinc/22/68/32/1017226832.db2.gz JXGFXHYSYNYQAW-NXEZZACHSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001597998166 1017226855 /nfs/dbraw/zinc/22/68/55/1017226855.db2.gz ICFDBMNJWDLRFR-VHSXEESVSA-N -1 0 320.305 -0.814 20 0 DBADRM CN(C(=O)C(N)=O)C1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001597991798 1017226961 /nfs/dbraw/zinc/22/69/61/1017226961.db2.gz XAGHSADPCIZFOU-UHFFFAOYSA-N -1 0 307.310 -0.913 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)CCn2ccnc2)C1 ZINC001597997754 1017227040 /nfs/dbraw/zinc/22/70/40/1017227040.db2.gz AQJNJGATMNLBLX-VXGBXAGGSA-N -1 0 320.349 -0.337 20 0 DBADRM CN(C(=O)C1=CCOCC1)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597997258 1017227261 /nfs/dbraw/zinc/22/72/61/1017227261.db2.gz SJYZYGOXJVKARK-NWDGAFQWSA-N -1 0 308.334 -0.277 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cccnn2)C1 ZINC001597998259 1017227273 /nfs/dbraw/zinc/22/72/73/1017227273.db2.gz JQYKCUHRRXIQTE-VHSXEESVSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(CC(=O)N(C)[C@H](COC1CCC1)C(=O)[O-])S(C)(=O)=O ZINC001598019299 1017229369 /nfs/dbraw/zinc/22/93/69/1017229369.db2.gz UCICJVPAFAPNTO-SNVBAGLBSA-N -1 0 322.383 -0.642 20 0 DBADRM CN(C(=O)COCc1ocnc1C(=O)[O-])C1CS(=O)(=O)C1 ZINC001598031424 1017229429 /nfs/dbraw/zinc/22/94/29/1017229429.db2.gz INTBCDPIRUJRSS-UHFFFAOYSA-N -1 0 318.307 -0.855 20 0 DBADRM CN(C)C1(CS(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC001598184295 1017242110 /nfs/dbraw/zinc/24/21/10/1017242110.db2.gz ODLNUZDNHRKQSN-SNVBAGLBSA-N -1 0 306.384 -0.414 20 0 DBADRM CN(C(=O)Nc1nc2n(c1C(=O)[O-])CCC2)[C@H]1CCNC1=O ZINC001598063003 1017232002 /nfs/dbraw/zinc/23/20/02/1017232002.db2.gz ADMXKYPLMKMVSQ-ZETCQYMHSA-N -1 0 307.310 -0.120 20 0 DBADRM CC(C)[C@@H](F)C(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001430697285 1006997406 /nfs/dbraw/zinc/99/74/06/1006997406.db2.gz NBILGLSNNUNCLR-VXNVDRBHSA-N -1 0 317.321 -0.696 20 0 DBADRM CC[C@H](F)C(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001430700327 1007001115 /nfs/dbraw/zinc/00/11/15/1007001115.db2.gz ZEJPANFVSPRNHQ-RQJHMYQMSA-N -1 0 303.294 -0.942 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001430699926 1007001595 /nfs/dbraw/zinc/00/15/95/1007001595.db2.gz ZEJPANFVSPRNHQ-RNFRBKRXSA-N -1 0 303.294 -0.942 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431113181 1007192725 /nfs/dbraw/zinc/19/27/25/1007192725.db2.gz KSYNRFLOITWNMR-VIFPVBQESA-N -1 0 323.353 -0.047 20 0 DBADRM COCCN(CCNC(=O)c1[nH]cnc1C)Cc1n[nH]c(=O)[n-]1 ZINC001442180741 1007295818 /nfs/dbraw/zinc/29/58/18/1007295818.db2.gz FXUXEIFWFQCGCW-UHFFFAOYSA-N -1 0 323.357 -0.580 20 0 DBADRM CN(CCNC(=O)C1(C2CC2)CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431306243 1007333324 /nfs/dbraw/zinc/33/33/24/1007333324.db2.gz AHTBVJUIQSSSQP-UHFFFAOYSA-N -1 0 321.337 -0.339 20 0 DBADRM CN(CCNC(=O)CCCC(N)=O)C(=O)c1ncccc1O ZINC001431337573 1007356770 /nfs/dbraw/zinc/35/67/70/1007356770.db2.gz QAJFEWYCGJISRJ-UHFFFAOYSA-N -1 0 308.338 -0.369 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)[C@H]2C[C@H]2C(N)=O)c1[O-] ZINC001431364050 1007375248 /nfs/dbraw/zinc/37/52/48/1007375248.db2.gz ZQBKHWMQCZOCHU-BDAKNGLRSA-N -1 0 323.353 -0.924 20 0 DBADRM CC[C@]1(C)C[C@H]1C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431398585 1007395271 /nfs/dbraw/zinc/39/52/71/1007395271.db2.gz WWOFYYYSZUTEBW-RMLUDKJBSA-N -1 0 323.353 -0.093 20 0 DBADRM CN(CCNC(=O)Cn1cc(C2CC2)nn1)Cc1n[nH]c(=O)[n-]1 ZINC001442411947 1007419768 /nfs/dbraw/zinc/41/97/68/1007419768.db2.gz IFLYNRHYGHZUDX-UHFFFAOYSA-N -1 0 320.357 -0.773 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NC(=O)c2ncn(C)n2)c1[O-] ZINC001442484649 1007491875 /nfs/dbraw/zinc/49/18/75/1007491875.db2.gz BPVHGRWNRURZPY-RQJHMYQMSA-N -1 0 321.341 -0.511 20 0 DBADRM CN(CCNC(=O)Cn1cc(Cl)cn1)Cc1n[nH]c(=O)[n-]1 ZINC001442534873 1007534039 /nfs/dbraw/zinc/53/40/39/1007534039.db2.gz MQFQRCNBSSGRSA-UHFFFAOYSA-N -1 0 313.749 -0.392 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001442539782 1007539118 /nfs/dbraw/zinc/53/91/18/1007539118.db2.gz XDVSAIJWWBGATI-JGVFFNPUSA-N -1 0 313.358 -0.255 20 0 DBADRM CCC1(C(=O)NCCN(C)C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001431507349 1007545944 /nfs/dbraw/zinc/54/59/44/1007545944.db2.gz NEGOXLTYIJZMFI-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C2CC2)c1[O-] ZINC001431517105 1007564623 /nfs/dbraw/zinc/56/46/23/1007564623.db2.gz LCWZEDQJADFDOE-XVKPBYJWSA-N -1 0 310.354 -0.323 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@@H]2C[C@H]2C2CC2)c1[O-] ZINC001431516486 1007565940 /nfs/dbraw/zinc/56/59/40/1007565940.db2.gz WMAUIHVZXHWPTO-OUAUKWLOSA-N -1 0 322.365 -0.323 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)c2nc[nH]n2)c1[O-] ZINC001442708130 1007626261 /nfs/dbraw/zinc/62/62/61/1007626261.db2.gz QABRPXPBXGJQEO-ZCFIWIBFSA-N -1 0 307.314 -0.568 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)Cn2ccnc2C)c1[O-] ZINC001431613679 1007637167 /nfs/dbraw/zinc/63/71/67/1007637167.db2.gz BENONHZXTRLCCC-MRVPVSSYSA-N -1 0 320.353 -0.137 20 0 DBADRM CCN(CCNC(=O)[C@@H]1CCCC(=O)N1C)Cc1n[nH]c(=O)[n-]1 ZINC001442750382 1007643528 /nfs/dbraw/zinc/64/35/28/1007643528.db2.gz FWRWQHRICAHTSB-JTQLQIEISA-N -1 0 324.385 -0.541 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1cnc(C)o1 ZINC001442747766 1007643707 /nfs/dbraw/zinc/64/37/07/1007643707.db2.gz SXKSVIAGODUIEC-UHFFFAOYSA-N -1 0 324.341 -0.376 20 0 DBADRM CCNC(=O)CCC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001442789770 1007659836 /nfs/dbraw/zinc/65/98/36/1007659836.db2.gz ZGLKUDRYRJVNHC-JTQLQIEISA-N -1 0 324.385 -0.493 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])cc1 ZINC001598330120 1017255222 /nfs/dbraw/zinc/25/52/22/1017255222.db2.gz HEDGPDBURGIUHN-LBPRGKRZSA-N -1 0 302.352 -0.134 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)[C@H]1CC12CC2 ZINC001442861232 1007689094 /nfs/dbraw/zinc/68/90/94/1007689094.db2.gz IQIUTFBJMYFNPR-HTQZYQBOSA-N -1 0 321.337 -0.340 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H](C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001442895139 1007703753 /nfs/dbraw/zinc/70/37/53/1007703753.db2.gz PKQLGZHGRRHBDB-HTQZYQBOSA-N -1 0 317.321 -0.600 20 0 DBADRM CN(C)Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])no1 ZINC001598247177 1017248767 /nfs/dbraw/zinc/24/87/67/1017248767.db2.gz OTEQUJWFIISHKU-LLVKDONJSA-N -1 0 324.337 -0.458 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001598259525 1017249630 /nfs/dbraw/zinc/24/96/30/1017249630.db2.gz KBILMVNEEBQXHW-RKDXNWHRSA-N -1 0 308.356 -0.984 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001598259321 1017250218 /nfs/dbraw/zinc/25/02/18/1017250218.db2.gz HHSJTNRKXNGLHJ-DTWKUNHWSA-N -1 0 304.368 -0.363 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])o1 ZINC001598269985 1017251581 /nfs/dbraw/zinc/25/15/81/1017251581.db2.gz AMHJVGUKDQZGBI-HTQZYQBOSA-N -1 0 316.335 -0.020 20 0 DBADRM CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598264870 1017251928 /nfs/dbraw/zinc/25/19/28/1017251928.db2.gz APZMUWRBAQYNGO-KXUCPTDWSA-N -1 0 319.383 -0.906 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001598261781 1017252091 /nfs/dbraw/zinc/25/20/91/1017252091.db2.gz KLUPMFQEDNDKDH-JTQLQIEISA-N -1 0 306.384 -0.115 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H](F)C(=O)[O-])n(C)c1 ZINC001598269578 1017252438 /nfs/dbraw/zinc/25/24/38/1017252438.db2.gz AGQPBGXXDNTHQP-QMMMGPOBSA-N -1 0 321.330 -0.572 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN[C@H](C(=O)[O-])c1ccnn1C ZINC001598283480 1017254161 /nfs/dbraw/zinc/25/41/61/1017254161.db2.gz WNRGALVRWYNORX-CHNSCGDPSA-N -1 0 317.371 -0.764 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598282456 1017254195 /nfs/dbraw/zinc/25/41/95/1017254195.db2.gz KXYPCNSLBYOMAG-LPDMDUEVSA-N -1 0 313.401 -0.399 20 0 DBADRM CN(C)c1cccc(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)n1 ZINC001598335374 1017254586 /nfs/dbraw/zinc/25/45/86/1017254586.db2.gz ZUZKLQJYASPWQO-HOMQSWHASA-N -1 0 320.349 -0.257 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)CN[C@@H](C(=O)[O-])c1ccnn1C ZINC001598283483 1017254888 /nfs/dbraw/zinc/25/48/88/1017254888.db2.gz WNRGALVRWYNORX-UZJPJQLHSA-N -1 0 317.371 -0.764 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1(C)CCC1 ZINC001431884455 1007749084 /nfs/dbraw/zinc/74/90/84/1007749084.db2.gz PTZKNYSIHXIXAJ-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001443034825 1007769814 /nfs/dbraw/zinc/76/98/14/1007769814.db2.gz YGABGFZWTHJLIS-JTQLQIEISA-N -1 0 322.369 -0.788 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CCNC(=O)CC1 ZINC001443196629 1007808295 /nfs/dbraw/zinc/80/82/95/1007808295.db2.gz BUFHHWMDBCPCSK-UHFFFAOYSA-N -1 0 317.305 -0.772 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)[C@H]3COCCO3)CC2)c1[O-] ZINC001432151993 1007827244 /nfs/dbraw/zinc/82/72/44/1007827244.db2.gz LBFZHSUZAMBDNY-SECBINFHSA-N -1 0 324.337 -0.782 20 0 DBADRM CCC(=O)NCC(=O)NC1(CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001432161275 1007831957 /nfs/dbraw/zinc/83/19/57/1007831957.db2.gz CYPKTORLNZADMZ-UHFFFAOYSA-N -1 0 323.353 -0.671 20 0 DBADRM CCO[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)[C@H]1CCOC1 ZINC001443446482 1007848549 /nfs/dbraw/zinc/84/85/49/1007848549.db2.gz BPWZJKJAUMUFEQ-DCAQKATOSA-N -1 0 311.342 -0.459 20 0 DBADRM C[C@H](CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn(C)c1 ZINC001443506833 1007865180 /nfs/dbraw/zinc/86/51/80/1007865180.db2.gz FKJCGUFLPYZUIE-SECBINFHSA-N -1 0 319.369 -0.262 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001432251361 1007868929 /nfs/dbraw/zinc/86/89/29/1007868929.db2.gz LHUNAMHTTGKEGS-JGVFFNPUSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@@H](CC(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC001432265018 1007873086 /nfs/dbraw/zinc/87/30/86/1007873086.db2.gz BXTVPGFMTQISTO-QMMMGPOBSA-N -1 0 323.353 -0.548 20 0 DBADRM CNC(=O)NC(=O)CN1CC(CNC(=O)c2ccccc2O)C1 ZINC001443561660 1007877005 /nfs/dbraw/zinc/87/70/05/1007877005.db2.gz HTNNPPBGLSOIAP-UHFFFAOYSA-N -1 0 320.349 -0.491 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)CCc3ccon3)C2)c1[O-] ZINC001432289155 1007881405 /nfs/dbraw/zinc/88/14/05/1007881405.db2.gz PFMQQKVVUQVDJE-UHFFFAOYSA-N -1 0 319.321 -0.015 20 0 DBADRM O=C(CCC(F)F)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001432299930 1007884049 /nfs/dbraw/zinc/88/40/49/1007884049.db2.gz BNNZNLPGDRDEGM-UHFFFAOYSA-N -1 0 317.252 -0.731 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@@H]1CCN(C)C1=O)C(=O)[O-] ZINC001594895232 1017070350 /nfs/dbraw/zinc/07/03/50/1017070350.db2.gz BNQQGEDNAANNHR-NGZCFLSTSA-N -1 0 314.338 -0.377 20 0 DBADRM CN(CCN(C)C(=O)CCc1cn(C)nn1)Cc1n[nH]c(=O)[n-]1 ZINC001496846405 1017070799 /nfs/dbraw/zinc/07/07/99/1017070799.db2.gz HMSCZYCAMZLPIT-UHFFFAOYSA-N -1 0 322.373 -0.838 20 0 DBADRM CC[C@@H](F)CN1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001443635920 1007892878 /nfs/dbraw/zinc/89/28/78/1007892878.db2.gz PKHWZBATWUGNGR-SECBINFHSA-N -1 0 301.322 -0.515 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)[O-] ZINC001594908580 1017070918 /nfs/dbraw/zinc/07/09/18/1017070918.db2.gz IIOAKFKGJUUXLE-SKDRFNHKSA-N -1 0 310.354 -0.003 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCOC[C@H]1COC)C(=O)[O-] ZINC001594894283 1017071108 /nfs/dbraw/zinc/07/11/08/1017071108.db2.gz ONAGGBJOBBBNMQ-LOWVWBTDSA-N -1 0 302.371 -0.051 20 0 DBADRM CCC1(C(=O)NC2CN(C(=O)c3cnc([O-])n(C)c3=O)C2)CC1 ZINC001432340691 1007895395 /nfs/dbraw/zinc/89/53/95/1007895395.db2.gz BKHNLSQBCSZDIR-UHFFFAOYSA-N -1 0 320.349 -0.383 20 0 DBADRM CC[C@@H](C)C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)[O-] ZINC001594938703 1017071833 /nfs/dbraw/zinc/07/18/33/1017071833.db2.gz ORSBFXQKMWQIEU-NXEZZACHSA-N -1 0 323.415 -0.270 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CC1(O)CCCCC1 ZINC001594959861 1017071962 /nfs/dbraw/zinc/07/19/62/1017071962.db2.gz IBRAKXSWGYVBPQ-SNVBAGLBSA-N -1 0 319.379 -0.218 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CC1(O)CCCCC1 ZINC001594959860 1017072774 /nfs/dbraw/zinc/07/27/74/1017072774.db2.gz IBRAKXSWGYVBPQ-JTQLQIEISA-N -1 0 319.379 -0.218 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc(-n3cncn3)n2)CCO1 ZINC001594950937 1017072954 /nfs/dbraw/zinc/07/29/54/1017072954.db2.gz CIFAWIFZSNFKFP-JTQLQIEISA-N -1 0 303.278 -0.412 20 0 DBADRM CCC(CC)N1C[C@@H](C(=O)NCC(=O)NCC(=O)[O-])CC1=O ZINC001595117126 1017073783 /nfs/dbraw/zinc/07/37/83/1017073783.db2.gz SGMCASRCBZMZIQ-VIFPVBQESA-N -1 0 313.354 -0.660 20 0 DBADRM CCC(CC)N1C[C@@H](C(=O)OCC(=O)NCC(=O)[O-])CC1=O ZINC001595116248 1017074274 /nfs/dbraw/zinc/07/42/74/1017074274.db2.gz JUSMRTWOMQVDKU-VIFPVBQESA-N -1 0 314.338 -0.233 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC001443760274 1007920329 /nfs/dbraw/zinc/92/03/29/1007920329.db2.gz NPTKOZVBHZPJBI-APPZFPTMSA-N -1 0 323.353 -0.721 20 0 DBADRM CC[C@@H](CNC(=O)CNC(C)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001595144686 1017076138 /nfs/dbraw/zinc/07/61/38/1017076138.db2.gz UXNMEYCUOHNMSM-JTQLQIEISA-N -1 0 309.326 -0.382 20 0 DBADRM CC[C@H](CNC(=O)COCC(=O)NCc1cccnc1)C(=O)[O-] ZINC001595144951 1017076225 /nfs/dbraw/zinc/07/62/25/1017076225.db2.gz YNCRVUUGIMUUAT-GFCCVEGCSA-N -1 0 323.349 -0.059 20 0 DBADRM CC[C@H](CNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1)C(=O)[O-] ZINC001595133876 1017076581 /nfs/dbraw/zinc/07/65/81/1017076581.db2.gz OJYAMEOKTQDOAK-SNVBAGLBSA-N -1 0 321.333 -0.120 20 0 DBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)NCCCC(=O)[O-] ZINC001595131503 1017076706 /nfs/dbraw/zinc/07/67/06/1017076706.db2.gz VWOFMASJEUDIQM-LLVKDONJSA-N -1 0 315.370 -0.806 20 0 DBADRM CC[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC001595147161 1017076745 /nfs/dbraw/zinc/07/67/45/1017076745.db2.gz NIIFBBDBQDQRMJ-NXEZZACHSA-N -1 0 301.343 -0.245 20 0 DBADRM CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001595173917 1017077426 /nfs/dbraw/zinc/07/74/26/1017077426.db2.gz HXQBHIFOOHOZPD-SECBINFHSA-N -1 0 310.306 -0.024 20 0 DBADRM CC[C@](COC)(NC(=O)CN(C)S(=O)(=O)CC)C(=O)[O-] ZINC001595188638 1017077886 /nfs/dbraw/zinc/07/78/86/1017077886.db2.gz QTZVTIQHJWZPLA-LLVKDONJSA-N -1 0 310.372 -0.736 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001595173089 1017078526 /nfs/dbraw/zinc/07/85/26/1017078526.db2.gz ZIEKGYHMLLUDTQ-ZYUZMQFOSA-N -1 0 322.383 -0.691 20 0 DBADRM COCCOC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001443862641 1007951143 /nfs/dbraw/zinc/95/11/43/1007951143.db2.gz CTWCUXIGLLFGKP-UHFFFAOYSA-N -1 0 300.315 -0.657 20 0 DBADRM CC[C@H](CO)C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-] ZINC001595176703 1017078996 /nfs/dbraw/zinc/07/89/96/1017078996.db2.gz XTWKIOFLVYGKCQ-GFCCVEGCSA-N -1 0 301.387 -0.835 20 0 DBADRM CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001595173918 1017079326 /nfs/dbraw/zinc/07/93/26/1017079326.db2.gz HXQBHIFOOHOZPD-VIFPVBQESA-N -1 0 310.306 -0.024 20 0 DBADRM CCC(=O)N1CC[C@@H](N(CC)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001432537123 1007964365 /nfs/dbraw/zinc/96/43/65/1007964365.db2.gz GGQOCUQKKVEQBY-SECBINFHSA-N -1 0 311.342 -0.451 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)Cn1cccn1 ZINC001432648033 1007986888 /nfs/dbraw/zinc/98/68/88/1007986888.db2.gz XSTVCSBAWVGVRB-SNVBAGLBSA-N -1 0 320.353 -0.055 20 0 DBADRM CCCC(=O)NC[C@@H](CO)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001444049041 1007996469 /nfs/dbraw/zinc/99/64/69/1007996469.db2.gz OXIICBQSUNYHFU-QMMMGPOBSA-N -1 0 322.321 -0.065 20 0 DBADRM CC[C@H](CNC(=O)C(C)(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001432809117 1008027148 /nfs/dbraw/zinc/02/71/48/1008027148.db2.gz UFHUTYIXDVUBIH-SSDOTTSWSA-N -1 0 311.342 -0.047 20 0 DBADRM CC(C)C(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433218467 1008095637 /nfs/dbraw/zinc/09/56/37/1008095637.db2.gz PELTYYGYMUDTOL-BDAKNGLRSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@H](OC)C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001433260606 1008125457 /nfs/dbraw/zinc/12/54/57/1008125457.db2.gz UBMKMTLXMZYKGI-IUCAKERBSA-N -1 0 314.342 -0.944 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001444368137 1008145515 /nfs/dbraw/zinc/14/55/15/1008145515.db2.gz URUNYXZAMGZDTB-IUCAKERBSA-N -1 0 323.353 -0.269 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC001444391402 1008150811 /nfs/dbraw/zinc/15/08/11/1008150811.db2.gz MVPYPVSXDODVOK-UHFFFAOYSA-N -1 0 316.247 -0.215 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)c2c[n-]ncc2=O)CC1 ZINC001444590874 1008187920 /nfs/dbraw/zinc/18/79/20/1008187920.db2.gz AHMMSUWPVMACFS-UHFFFAOYSA-N -1 0 308.294 -0.970 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]2C[C@H]2C)c1[O-] ZINC001444703337 1008225182 /nfs/dbraw/zinc/22/51/82/1008225182.db2.gz HILNPQAJGPXBMU-SZEHBUNVSA-N -1 0 310.354 -0.371 20 0 DBADRM COCCOC[C@@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001444706832 1008226043 /nfs/dbraw/zinc/22/60/43/1008226043.db2.gz MPKFAWCBUZJPGU-SECBINFHSA-N -1 0 302.331 -0.363 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001445046346 1008278005 /nfs/dbraw/zinc/27/80/05/1008278005.db2.gz KXLZOXRRDHKPCE-UHFFFAOYSA-N -1 0 312.374 -0.685 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cc(N2CCOCC2)ncn1 ZINC001445414881 1008372939 /nfs/dbraw/zinc/37/29/39/1008372939.db2.gz PFQUVDIJPCVJMM-UHFFFAOYSA-N -1 0 305.298 -0.933 20 0 DBADRM C[C@@H](CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1)[S@](C)=O ZINC001445543633 1008394633 /nfs/dbraw/zinc/39/46/33/1008394633.db2.gz MATZQXUMSVLMQR-AUADJRAKSA-N -1 0 322.394 -0.038 20 0 DBADRM CC(C)C(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001445870979 1008442584 /nfs/dbraw/zinc/44/25/84/1008442584.db2.gz VSABISHERLEEBC-OCAPTIKFSA-N -1 0 309.326 -0.437 20 0 DBADRM Cn1ccc(CCC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001446052916 1008468446 /nfs/dbraw/zinc/46/84/46/1008468446.db2.gz GNEXDJZMQATXAG-LLVKDONJSA-N -1 0 319.369 -0.433 20 0 DBADRM Cc1cc(CN2CC[C@@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)on1 ZINC001446121219 1008475655 /nfs/dbraw/zinc/47/56/55/1008475655.db2.gz PMGKHJLVLODISK-SECBINFHSA-N -1 0 322.325 -0.624 20 0 DBADRM CCCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001446119349 1008476305 /nfs/dbraw/zinc/47/63/05/1008476305.db2.gz LJEHOQHUIJEVBC-SFYZADRCSA-N -1 0 309.326 -0.198 20 0 DBADRM C[C@@]1(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)CCNC(=O)C1 ZINC001446200555 1008488498 /nfs/dbraw/zinc/48/84/98/1008488498.db2.gz BCHWOUHLZRIUIJ-CYBMUJFWSA-N -1 0 322.369 -0.835 20 0 DBADRM Cn1ncc(CCC(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001446252080 1008495205 /nfs/dbraw/zinc/49/52/05/1008495205.db2.gz IFVUSELXYJSFBK-UHFFFAOYSA-N -1 0 320.357 -0.990 20 0 DBADRM Cc1oc(C(=O)[N-]N2CC(=O)NC2=O)cc1S(C)(=O)=O ZINC001457526611 1008531838 /nfs/dbraw/zinc/53/18/38/1008531838.db2.gz KIDAFOCYGPCTCS-UHFFFAOYSA-N -1 0 301.280 -0.812 20 0 DBADRM CC(=O)N1CCCC[C@H]1CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001457507977 1008533224 /nfs/dbraw/zinc/53/32/24/1008533224.db2.gz XWNZNMCICQHCSZ-VIFPVBQESA-N -1 0 309.326 -0.196 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)c1ccc[nH]1 ZINC001457720460 1008586459 /nfs/dbraw/zinc/58/64/59/1008586459.db2.gz CRDGLSIKWKUGML-UHFFFAOYSA-N -1 0 320.309 -0.545 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOC[C@@H]1[C@H]1CCCCC1=O ZINC001446586148 1008589091 /nfs/dbraw/zinc/58/90/91/1008589091.db2.gz TZZGOMBBMRUXGL-NXEZZACHSA-N -1 0 324.337 -0.324 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001457867378 1008663291 /nfs/dbraw/zinc/66/32/91/1008663291.db2.gz UBJVJXLMDBDIDX-UHFFFAOYSA-N -1 0 315.355 -0.850 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC2(C)C)c1[O-] ZINC001457957891 1008768338 /nfs/dbraw/zinc/76/83/38/1008768338.db2.gz FYEGORRVMDJVQI-DTWKUNHWSA-N -1 0 310.354 -0.323 20 0 DBADRM CC[C@H](F)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001446775082 1008783946 /nfs/dbraw/zinc/78/39/46/1008783946.db2.gz PZNSBPOPLRUKGG-QPUJVOFHSA-N -1 0 301.322 -0.689 20 0 DBADRM Cn1cncc1C(=O)NC[C@@H](O)CNC(=O)c1ncccc1O ZINC001457975681 1008790107 /nfs/dbraw/zinc/79/01/07/1008790107.db2.gz XBDKCRPZIZQILL-SECBINFHSA-N -1 0 319.321 -0.959 20 0 DBADRM Cc1cc(CC(=O)NC[C@H](C)NC(=O)c2[nH]nc(C)c2[O-])n[nH]1 ZINC001458377311 1008834482 /nfs/dbraw/zinc/83/44/82/1008834482.db2.gz NWSLXOHJYUZQLQ-QMMMGPOBSA-N -1 0 320.353 -0.068 20 0 DBADRM CC1(C(=O)N2CC[C@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001458764775 1008874251 /nfs/dbraw/zinc/87/42/51/1008874251.db2.gz BHMLXQYWIICOHO-QMMMGPOBSA-N -1 0 309.326 -0.794 20 0 DBADRM CC(=O)NC[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC001447072399 1008891713 /nfs/dbraw/zinc/89/17/13/1008891713.db2.gz COEAKSJLNJUKQA-LLVKDONJSA-N -1 0 318.337 -0.898 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCC1(NC(=O)C2CC2)CC1 ZINC001459006093 1008913872 /nfs/dbraw/zinc/91/38/72/1008913872.db2.gz CWHPDMRNVUKWEL-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001459033053 1008922892 /nfs/dbraw/zinc/92/28/92/1008922892.db2.gz OXTWRNKBSHTJBB-RQJHMYQMSA-N -1 0 307.310 -0.683 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001447213975 1008956001 /nfs/dbraw/zinc/95/60/01/1008956001.db2.gz DDRLCQMTTHNMDB-VDAHYXPESA-N -1 0 321.337 -0.437 20 0 DBADRM COC[C@H](O)CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001447310085 1009023548 /nfs/dbraw/zinc/02/35/48/1009023548.db2.gz XVWFCDYFNZWHSV-LLVKDONJSA-N -1 0 306.326 -0.798 20 0 DBADRM CN(CCCN(C)C(=O)Cn1ccnc1)Cc1n[nH]c(=O)[n-]1 ZINC001447373031 1009055100 /nfs/dbraw/zinc/05/51/00/1009055100.db2.gz LCLANXDNZCWIIM-UHFFFAOYSA-N -1 0 307.358 -0.313 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001447382285 1009057905 /nfs/dbraw/zinc/05/79/05/1009057905.db2.gz RXPFDEGUKRNTFC-SNVBAGLBSA-N -1 0 307.358 -0.415 20 0 DBADRM C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1csnn1 ZINC001460975852 1009129418 /nfs/dbraw/zinc/12/94/18/1009129418.db2.gz LBSVRSYTAARJIT-ZCFIWIBFSA-N -1 0 305.323 -0.200 20 0 DBADRM CN(C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)c1nnn[n-]1 ZINC001461558884 1009140905 /nfs/dbraw/zinc/14/09/05/1009140905.db2.gz MOQXXVAENCYPKB-UHFFFAOYSA-N -1 0 300.282 -0.639 20 0 DBADRM CC(=O)N1C[C@@H](C(=O)N(C)c2nnn[n-]2)Oc2ccccc21 ZINC001461557537 1009143642 /nfs/dbraw/zinc/14/36/42/1009143642.db2.gz CJPGPRZWOYDWPI-NSHDSACASA-N -1 0 302.294 -0.023 20 0 DBADRM C[C@H]1Cn2nccc2N(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001462436686 1009158693 /nfs/dbraw/zinc/15/86/93/1009158693.db2.gz HVIFZCLAQPKJOO-SECBINFHSA-N -1 0 313.321 -0.049 20 0 DBADRM C[C@@H]1Cn2nccc2N(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001462436687 1009161728 /nfs/dbraw/zinc/16/17/28/1009161728.db2.gz HVIFZCLAQPKJOO-VIFPVBQESA-N -1 0 313.321 -0.049 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(F)c[nH]c1=O ZINC001447646217 1009208646 /nfs/dbraw/zinc/20/86/46/1009208646.db2.gz QCELGFFXSPLYAV-UHFFFAOYSA-N -1 0 305.287 -0.878 20 0 DBADRM CO[C@H]1COCC[C@H]1CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001447642812 1009211382 /nfs/dbraw/zinc/21/13/82/1009211382.db2.gz DCPGRSDZYDLJBW-UWVGGRQHSA-N -1 0 322.383 -0.990 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)N(C)C)o1 ZINC001463660947 1009234628 /nfs/dbraw/zinc/23/46/28/1009234628.db2.gz ALPYPZUPLLQSKD-UHFFFAOYSA-N -1 0 311.385 -0.738 20 0 DBADRM COCCNC(=O)CNC(=O)c1c(C)[nH]c(=O)nc1SC ZINC001463653822 1009235472 /nfs/dbraw/zinc/23/54/72/1009235472.db2.gz MWULQEKKSUVHOI-UHFFFAOYSA-N -1 0 314.367 -0.295 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](CO)C(C)C)n[nH]1 ZINC001463661750 1009236447 /nfs/dbraw/zinc/23/64/47/1009236447.db2.gz DXANBTZKRITLOH-QMMMGPOBSA-N -1 0 305.356 -0.261 20 0 DBADRM CC(C)N(CC(N)=O)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001463646127 1009236916 /nfs/dbraw/zinc/23/69/16/1009236916.db2.gz HIZCNWLRKDLWOS-UHFFFAOYSA-N -1 0 319.321 -0.398 20 0 DBADRM CC(C)S(=O)(=O)CC[N-]S(=O)(=O)N=S(C)(C)=O ZINC001463819685 1009248746 /nfs/dbraw/zinc/24/87/46/1009248746.db2.gz DYIWTYCHDPTUFG-UHFFFAOYSA-N -1 0 306.431 -0.628 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]Cc1n[nH]c([C@H]2CCCO2)n1 ZINC001463960798 1009271722 /nfs/dbraw/zinc/27/17/22/1009271722.db2.gz LMDMVAAGCKYOSB-SSDOTTSWSA-N -1 0 323.400 -0.282 20 0 DBADRM COC(=O)c1ccc(C[N-]S(=O)(=O)N=S(C)(C)=O)nc1 ZINC001463983422 1009275201 /nfs/dbraw/zinc/27/52/01/1009275201.db2.gz LVHPJALDEHFPAN-UHFFFAOYSA-N -1 0 321.380 -0.070 20 0 DBADRM CN(CC(C)(C)CO)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598423766 1017268270 /nfs/dbraw/zinc/26/82/70/1017268270.db2.gz NRTFAQSBMFDKIU-SNVBAGLBSA-N -1 0 300.355 -0.214 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])n1 ZINC001598352826 1017256888 /nfs/dbraw/zinc/25/68/88/1017256888.db2.gz SLAIFERHMIHBFC-BYPYZUCNSA-N -1 0 304.257 -0.642 20 0 DBADRM CN(C)c1ccnc(C(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC001598345951 1017256980 /nfs/dbraw/zinc/25/69/80/1017256980.db2.gz JKISQUJRROHZMD-WDEREUQCSA-N -1 0 320.349 -0.286 20 0 DBADRM CN(C)c1n[nH]c(CNS(=O)(=O)CC(C)(C)C(=O)[O-])n1 ZINC001598365532 1017257007 /nfs/dbraw/zinc/25/70/07/1017257007.db2.gz SPEMIJRTQCUCEZ-UHFFFAOYSA-N -1 0 305.360 -0.599 20 0 DBADRM CN(C)c1ncc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)cn1 ZINC001598359569 1017257664 /nfs/dbraw/zinc/25/76/64/1017257664.db2.gz WEPQXOCDGXBQFR-UHFFFAOYSA-N -1 0 307.310 -0.538 20 0 DBADRM CN(C)c1noc(CNC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001598364287 1017258006 /nfs/dbraw/zinc/25/80/06/1017258006.db2.gz FXXNCDRDCUECJH-DTWKUNHWSA-N -1 0 323.353 -0.405 20 0 DBADRM CS(=O)(=O)Nc1ccc(CNC(=O)CCc2nnn[n-]2)cc1 ZINC001464211440 1009297569 /nfs/dbraw/zinc/29/75/69/1009297569.db2.gz ADHNPQYKLOGHDP-UHFFFAOYSA-N -1 0 324.366 -0.180 20 0 DBADRM CN(C1CCN(Cn2cnc(C(=O)[O-])n2)CC1)S(C)(=O)=O ZINC001598373002 1017260739 /nfs/dbraw/zinc/26/07/39/1017260739.db2.gz MGBVQXBYBCUFNH-UHFFFAOYSA-N -1 0 317.371 -0.710 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC001464427618 1009312282 /nfs/dbraw/zinc/31/22/82/1009312282.db2.gz HKNOGOZZMMSKNS-UHFFFAOYSA-N -1 0 317.352 -0.586 20 0 DBADRM CN(CC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC001598379383 1017261283 /nfs/dbraw/zinc/26/12/83/1017261283.db2.gz QOLDTCYUGSYVGR-ZCFIWIBFSA-N -1 0 300.283 -0.801 20 0 DBADRM COCCOc1ncccc1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001464491651 1009317178 /nfs/dbraw/zinc/31/71/78/1009317178.db2.gz FDNMVBPNQCUBSF-UHFFFAOYSA-N -1 0 323.309 -0.574 20 0 DBADRM CN(C1CS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001598375725 1017261742 /nfs/dbraw/zinc/26/17/42/1017261742.db2.gz GQTACEBJKJTJKG-UHFFFAOYSA-N -1 0 309.321 -0.605 20 0 DBADRM CN(CC(=O)Nc1cccc(C(=O)[O-])n1)[C@@]1(CO)CCOC1 ZINC001598400318 1017262841 /nfs/dbraw/zinc/26/28/41/1017262841.db2.gz HSKWOUJRRDJBHI-CQSZACIVSA-N -1 0 309.322 -0.199 20 0 DBADRM CN(CC(=O)NCC(C)(C)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001598392069 1017263306 /nfs/dbraw/zinc/26/33/06/1017263306.db2.gz IKGNOVDITOQZLE-SNVBAGLBSA-N -1 0 320.411 -0.278 20 0 DBADRM CN(CC(=O)Nc1c[nH]nc1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001598396326 1017264004 /nfs/dbraw/zinc/26/40/04/1017264004.db2.gz BXUBQLZVAOXQIF-SSDOTTSWSA-N -1 0 316.339 -0.835 20 0 DBADRM O=C(CCc1nnn[n-]1)NCCN1C(=O)Cc2ccccc21 ZINC001464659131 1009332230 /nfs/dbraw/zinc/33/22/30/1009332230.db2.gz ZKKTXFWOUPGNFZ-UHFFFAOYSA-N -1 0 300.322 -0.162 20 0 DBADRM CN(CC(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C(=O)c1cccs1 ZINC001598396333 1017265015 /nfs/dbraw/zinc/26/50/15/1017265015.db2.gz CEHCFQOSHVXUBU-KTLJEJPDSA-N -1 0 312.347 -0.086 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)CC1(C(=O)OC)CCCCC1 ZINC001464696482 1009334624 /nfs/dbraw/zinc/33/46/24/1009334624.db2.gz QFWHTNCCCJPKBL-UHFFFAOYSA-N -1 0 322.383 -0.293 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001464695973 1009334867 /nfs/dbraw/zinc/33/48/67/1009334867.db2.gz MVRXJRKJUPGWCW-NKWVEPMBSA-N -1 0 320.289 -0.307 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598436365 1017269027 /nfs/dbraw/zinc/26/90/27/1017269027.db2.gz MGSXGDBXONPLOZ-GRYCIOLGSA-N -1 0 315.370 -0.816 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNS(=O)(=O)c1ccccc1[O-] ZINC001464699475 1009335657 /nfs/dbraw/zinc/33/56/57/1009335657.db2.gz YDNFKYIQFDWRIV-QMMMGPOBSA-N -1 0 309.365 -0.924 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cc(OC)c(OC)cc1C ZINC001464696556 1009336488 /nfs/dbraw/zinc/33/64/88/1009336488.db2.gz QOORCLAFLMGLBZ-UHFFFAOYSA-N -1 0 318.351 -0.032 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)cn1 ZINC001464744064 1009337459 /nfs/dbraw/zinc/33/74/59/1009337459.db2.gz WSUVUSVJGSITOL-VIFPVBQESA-N -1 0 324.366 -0.527 20 0 DBADRM CN(CC(=O)OCc1ccc(C(=O)[O-])cn1)S(C)(=O)=O ZINC001598418211 1017266289 /nfs/dbraw/zinc/26/62/89/1017266289.db2.gz RZEUJSBYNXFDTR-UHFFFAOYSA-N -1 0 302.308 -0.286 20 0 DBADRM CN(CC(=O)O[C@@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)S(C)(=O)=O ZINC001598418149 1017266541 /nfs/dbraw/zinc/26/65/41/1017266541.db2.gz QNDIKSVELCQBNO-UTINFBMNSA-N -1 0 305.352 -0.080 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCN([S@](C)(=N)=O)CC1 ZINC001598409034 1017266682 /nfs/dbraw/zinc/26/66/82/1017266682.db2.gz FZNRKBMSFVZXSA-FQEVSTJZSA-N -1 0 306.388 -0.871 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC001598412582 1017267108 /nfs/dbraw/zinc/26/71/08/1017267108.db2.gz UZUJFPUAOVGMNA-UHFFFAOYSA-N -1 0 308.356 -0.048 20 0 DBADRM CN(C[C@@H](O)CN(C)c1ncc(C(=O)[O-])cn1)C(=O)C1CC1 ZINC001598432141 1017267350 /nfs/dbraw/zinc/26/73/50/1017267350.db2.gz BUSHRRGDFSFDNN-LLVKDONJSA-N -1 0 308.338 -0.160 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001598430501 1017267437 /nfs/dbraw/zinc/26/74/37/1017267437.db2.gz PKAJDTPJKLNOJW-UHFFFAOYSA-N -1 0 313.697 -0.080 20 0 DBADRM CNC(=O)COc1ccc(NC(=O)CCc2nnn[n-]2)cc1 ZINC001464927297 1009354657 /nfs/dbraw/zinc/35/46/57/1009354657.db2.gz JVKRKKIGNRMXBC-UHFFFAOYSA-N -1 0 304.310 -0.104 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001464955626 1009356182 /nfs/dbraw/zinc/35/61/82/1009356182.db2.gz XWAMSYBEOUDKQK-SNVBAGLBSA-N -1 0 313.358 -0.694 20 0 DBADRM C[C@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001447864308 1009357522 /nfs/dbraw/zinc/35/75/22/1009357522.db2.gz XPSTTXJXGLVYHM-HXFLIBJXSA-N -1 0 321.337 -0.437 20 0 DBADRM O=C(C[C@@H]1CC(=O)N1)Nc1ccc(OCc2nnn[n-]2)cc1 ZINC001465208810 1009363312 /nfs/dbraw/zinc/36/33/12/1009363312.db2.gz UNPOSIGINRFZOY-SECBINFHSA-N -1 0 302.294 -0.004 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)CCCc2nnn[n-]2)CCS1(=O)=O ZINC001465288375 1009368812 /nfs/dbraw/zinc/36/88/12/1009368812.db2.gz WWYYLKIEHHLDBA-DTWKUNHWSA-N -1 0 301.372 -0.444 20 0 DBADRM Cn1c2sc(C(=O)Nc3cnn[n-]3)cc2c(=O)n(C)c1=O ZINC001447925456 1009398151 /nfs/dbraw/zinc/39/81/51/1009398151.db2.gz KZNGMWHUZPKAGS-UHFFFAOYSA-N -1 0 306.307 -0.331 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CC12CCC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001447938548 1009404773 /nfs/dbraw/zinc/40/47/73/1009404773.db2.gz SVISYOHUVLSRQA-DTWKUNHWSA-N -1 0 323.353 -0.500 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC001466258883 1009412655 /nfs/dbraw/zinc/41/26/55/1009412655.db2.gz UNKQNHIUDPIMAJ-CAHLUQPWSA-N -1 0 310.232 -0.397 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC001466308998 1009415674 /nfs/dbraw/zinc/41/56/74/1009415674.db2.gz QROLDBQDWGXXPB-QMMMGPOBSA-N -1 0 324.259 -0.149 20 0 DBADRM CN1C[C@H](NC(=O)c2nn(-c3ccccc3F)cc2[O-])C(=O)N1 ZINC001466411255 1009420938 /nfs/dbraw/zinc/42/09/38/1009420938.db2.gz VTYKTZBDSCTVPH-VIFPVBQESA-N -1 0 319.296 -0.208 20 0 DBADRM COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001466435394 1009425416 /nfs/dbraw/zinc/42/54/16/1009425416.db2.gz SIKSPCSXJJIIFJ-OQPBUACISA-N -1 0 312.326 -0.073 20 0 DBADRM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N=c1nn[n-]n1CC)CC2 ZINC001466547338 1009429725 /nfs/dbraw/zinc/42/97/25/1009429725.db2.gz NGYIRPGUHNQWNU-WDEREUQCSA-N -1 0 324.385 -0.101 20 0 DBADRM CCOC(=O)[C@@]1(C)CN(C(=O)N=c2nn[n-]n2CC)CCO1 ZINC001466547616 1009429933 /nfs/dbraw/zinc/42/99/33/1009429933.db2.gz YLDWSTSCSFIZJI-GFCCVEGCSA-N -1 0 312.330 -0.699 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](CC(N)=O)c1ccccc1 ZINC001466547187 1009430479 /nfs/dbraw/zinc/43/04/79/1009430479.db2.gz IPZJUOCXXWCYJZ-JTQLQIEISA-N -1 0 303.326 -0.147 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCO[C@H](c2ccnn2C)C1 ZINC001466547440 1009430588 /nfs/dbraw/zinc/43/05/88/1009430588.db2.gz RCICMVYBDBRNON-ONGXEEELSA-N -1 0 320.357 -0.110 20 0 DBADRM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)N=c1nn[n-]n1CC)CC2 ZINC001466547336 1009430716 /nfs/dbraw/zinc/43/07/16/1009430716.db2.gz NGYIRPGUHNQWNU-MNOVXSKESA-N -1 0 324.385 -0.101 20 0 DBADRM C[C@@H](CN(C)C(=O)c1ccc(S(C)(=O)=O)nc1)c1nnn[n-]1 ZINC001466677959 1009434718 /nfs/dbraw/zinc/43/47/18/1009434718.db2.gz UQYUZLVBRZSFAH-QMMMGPOBSA-N -1 0 324.366 -0.126 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1nnc(C2CC2)n1C1CC1 ZINC001466674533 1009437927 /nfs/dbraw/zinc/43/79/27/1009437927.db2.gz ZGHLCBHSFATKHO-UHFFFAOYSA-N -1 0 319.325 -0.191 20 0 DBADRM COC(=O)[C@H](NC(=O)CCc1nnn[n-]1)c1ccc(O)cc1 ZINC001466715100 1009440365 /nfs/dbraw/zinc/44/03/65/1009440365.db2.gz RIQGOUDBDWYHLL-GFCCVEGCSA-N -1 0 305.294 -0.132 20 0 DBADRM O=C(CCCc1nnn[n-]1)NN1C(=O)c2ccccc2C1=O ZINC001466699114 1009441720 /nfs/dbraw/zinc/44/17/20/1009441720.db2.gz DEEQBTQYYNQOQN-UHFFFAOYSA-N -1 0 300.278 -0.150 20 0 DBADRM CC(C)(CS(C)(=O)=O)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001466783826 1009443320 /nfs/dbraw/zinc/44/33/20/1009443320.db2.gz ZGOFDKVLYOBADQ-UHFFFAOYSA-N -1 0 308.385 -0.458 20 0 DBADRM CS(=O)(=O)CCCCCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001448031084 1009474389 /nfs/dbraw/zinc/47/43/89/1009474389.db2.gz UDRVAXWACIELOQ-UHFFFAOYSA-N -1 0 322.412 -0.067 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC001466835567 1009446941 /nfs/dbraw/zinc/44/69/41/1009446941.db2.gz SPMDSWAJAHAFOF-GFCCVEGCSA-N -1 0 308.294 -0.290 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccc(F)cn1 ZINC001466838257 1009451924 /nfs/dbraw/zinc/45/19/24/1009451924.db2.gz VPCVHSVAAVTHRX-UHFFFAOYSA-N -1 0 303.315 -0.655 20 0 DBADRM Cc1oc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1CO ZINC001466837542 1009454057 /nfs/dbraw/zinc/45/40/57/1009454057.db2.gz JDKFEBOGKGPEBO-UHFFFAOYSA-N -1 0 304.324 -0.724 20 0 DBADRM CCCN(CC(=O)OC)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001466950451 1009458785 /nfs/dbraw/zinc/45/87/85/1009458785.db2.gz XIXAQAIVNGZQMK-UHFFFAOYSA-N -1 0 300.315 -0.119 20 0 DBADRM O=C(C[C@@H]1CCC(=O)NC1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001448015728 1009461023 /nfs/dbraw/zinc/46/10/23/1009461023.db2.gz GSVOIHURMYBDJR-IUCAKERBSA-N -1 0 310.383 -0.268 20 0 DBADRM COC[C@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@@H](C)O1 ZINC001466970964 1009465098 /nfs/dbraw/zinc/46/50/98/1009465098.db2.gz ZQAABPLWXOZOOV-NXEZZACHSA-N -1 0 314.342 -0.268 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccn(C(C)(C)C(=O)OC)n1 ZINC001467046001 1009468054 /nfs/dbraw/zinc/46/80/54/1009468054.db2.gz DWPHDRNJZPIZSP-UHFFFAOYSA-N -1 0 313.314 -0.410 20 0 DBADRM COCCS(=O)(=O)CC(=O)NCCc1n[n-]c(=S)o1 ZINC001467310183 1009484679 /nfs/dbraw/zinc/48/46/79/1009484679.db2.gz JZBWDPGTNYLUDG-UHFFFAOYSA-N -1 0 309.369 -0.922 20 0 DBADRM CCN(C)C(=O)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001467309986 1009484884 /nfs/dbraw/zinc/48/48/84/1009484884.db2.gz PTBCHWHDLWRHGE-UHFFFAOYSA-N -1 0 303.326 -0.717 20 0 DBADRM O=C([N-]OCCO)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001467302439 1009485693 /nfs/dbraw/zinc/48/56/93/1009485693.db2.gz SQDVMQMKOKSYCD-JTQLQIEISA-N -1 0 310.310 -0.783 20 0 DBADRM C[C@@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CC[C@H]1O ZINC001467356622 1009487700 /nfs/dbraw/zinc/48/77/00/1009487700.db2.gz KVGZKMWTPNDYAN-BXKDBHETSA-N -1 0 302.338 -0.082 20 0 DBADRM C[C@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CC[C@H]1O ZINC001467356630 1009488923 /nfs/dbraw/zinc/48/89/23/1009488923.db2.gz KVGZKMWTPNDYAN-JOYOIKCWSA-N -1 0 302.338 -0.082 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)C[C@@H]2CCC(=O)N2)c1[O-] ZINC001448050103 1009495466 /nfs/dbraw/zinc/49/54/66/1009495466.db2.gz ABEGCJHFXIOJER-APPZFPTMSA-N -1 0 323.353 -0.673 20 0 DBADRM CN(Cc1nc[nH]n1)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001467515530 1009502611 /nfs/dbraw/zinc/50/26/11/1009502611.db2.gz KLISDVMUQGFTMN-UHFFFAOYSA-N -1 0 315.293 -0.344 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1C[C@H](O)C[C@H]1CO ZINC001448066160 1009509776 /nfs/dbraw/zinc/50/97/76/1009509776.db2.gz KPVDPKAHNIXJQE-JGVFFNPUSA-N -1 0 306.278 -0.996 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cccc(Cn2ccnn2)c1 ZINC001467599095 1009510451 /nfs/dbraw/zinc/51/04/51/1009510451.db2.gz WQJLBIANVVMNRD-UHFFFAOYSA-N -1 0 314.305 -0.025 20 0 DBADRM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448089110 1009518171 /nfs/dbraw/zinc/51/81/71/1009518171.db2.gz PGKVUPFRYNIWNJ-SDBXPKJASA-N -1 0 310.358 -0.885 20 0 DBADRM CCC(CC)(NC(=O)CCn1cc[nH]c(=O)c1=O)c1nnn[n-]1 ZINC001467795060 1009520941 /nfs/dbraw/zinc/52/09/41/1009520941.db2.gz YBOJUJCRHZYEND-UHFFFAOYSA-N -1 0 321.341 -0.729 20 0 DBADRM CCC[C@H](C)C(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001448107255 1009536190 /nfs/dbraw/zinc/53/61/90/1009536190.db2.gz SYDSCGRHPDOZFJ-IUCAKERBSA-N -1 0 313.358 -0.254 20 0 DBADRM CCC[C@@H](C)C(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001448107257 1009539190 /nfs/dbraw/zinc/53/91/90/1009539190.db2.gz SYDSCGRHPDOZFJ-RKDXNWHRSA-N -1 0 313.358 -0.254 20 0 DBADRM C[C@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001448137325 1009557589 /nfs/dbraw/zinc/55/75/89/1009557589.db2.gz ZZHHQRMDOJYUHG-YIZRAAEISA-N -1 0 323.353 -0.508 20 0 DBADRM CN(C[C@H](O)CNc1ncc(C(=O)[O-])cn1)C(=O)[C@@H]1CCCO1 ZINC001598435336 1017271047 /nfs/dbraw/zinc/27/10/47/1017271047.db2.gz FLBPAGQVHATWOK-MNOVXSKESA-N -1 0 324.337 -0.415 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC(=O)N(C)CCc1ccccn1 ZINC001468566749 1009570353 /nfs/dbraw/zinc/57/03/53/1009570353.db2.gz HOBOFJHNPQYAMN-UHFFFAOYSA-N -1 0 323.353 -0.941 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1nnc(C2CC2)o1 ZINC001448156997 1009570670 /nfs/dbraw/zinc/57/06/70/1009570670.db2.gz MSROJDBBPINZHZ-UHFFFAOYSA-N -1 0 315.293 -0.352 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001598467104 1017271892 /nfs/dbraw/zinc/27/18/92/1017271892.db2.gz JPAXGROHVWWCFP-SNVBAGLBSA-N -1 0 316.354 -0.523 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H](CO)C1CCOCC1 ZINC001598471289 1017272233 /nfs/dbraw/zinc/27/22/33/1017272233.db2.gz HWZXXPITRVHUAT-JTQLQIEISA-N -1 0 310.372 -0.985 20 0 DBADRM CN(C[C@H]1COCCO1)c1nnnn1C1CC(CC(=O)[O-])C1 ZINC001598467436 1017273160 /nfs/dbraw/zinc/27/31/60/1017273160.db2.gz MYXXZEGJXGBEQB-ILDUYXDCSA-N -1 0 311.342 -0.050 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCc1ccc(CO)cc1 ZINC001598471363 1017274345 /nfs/dbraw/zinc/27/43/45/1017274345.db2.gz YJJMKCPADPUQGI-UHFFFAOYSA-N -1 0 316.379 -0.038 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H](CO)C1CCOCC1 ZINC001598471292 1017274985 /nfs/dbraw/zinc/27/49/85/1017274985.db2.gz HWZXXPITRVHUAT-SNVBAGLBSA-N -1 0 310.372 -0.985 20 0 DBADRM CN(CCCC(=O)NCC[C@H](O)C(=O)[O-])C(=O)c1ccncc1 ZINC001598471710 1017275284 /nfs/dbraw/zinc/27/52/84/1017275284.db2.gz BDKSKWQCSOZECJ-LBPRGKRZSA-N -1 0 323.349 -0.114 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)CC1(O)CCC1 ZINC001598479348 1017275417 /nfs/dbraw/zinc/27/54/17/1017275417.db2.gz HZQBVDBGIHNZAL-MNOVXSKESA-N -1 0 312.366 -0.023 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1nncn1C ZINC001598477414 1017275453 /nfs/dbraw/zinc/27/54/53/1017275453.db2.gz NTCJHRSQAMTIOY-WDEREUQCSA-N -1 0 309.370 -0.184 20 0 DBADRM COC(=O)[C@@](C)(CO)NC(=O)CSc1n[n-]c(=S)s1 ZINC001468888317 1009598605 /nfs/dbraw/zinc/59/86/05/1009598605.db2.gz ZALRVJZOWDGVTF-SECBINFHSA-N -1 0 323.421 -0.041 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1cnn(C)c1N ZINC001598480443 1017276828 /nfs/dbraw/zinc/27/68/28/1017276828.db2.gz VDVVNNUIYZPFBL-IUCAKERBSA-N -1 0 323.353 -0.699 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC001598480967 1017277012 /nfs/dbraw/zinc/27/70/12/1017277012.db2.gz OPAKLHZLXAOCQN-NGZCFLSTSA-N -1 0 319.383 -0.777 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)CC(C)(C)O ZINC001598480384 1017277090 /nfs/dbraw/zinc/27/70/90/1017277090.db2.gz USJGBASHVZWVKR-ZJUUUORDSA-N -1 0 300.355 -0.167 20 0 DBADRM CN(CCCNC(=O)c1ccnn1C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598481243 1017277533 /nfs/dbraw/zinc/27/75/33/1017277533.db2.gz KHUASIDZPASSRU-NXEZZACHSA-N -1 0 308.338 -0.281 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1ncn(C)n1 ZINC001598479379 1017277838 /nfs/dbraw/zinc/27/78/38/1017277838.db2.gz IZAVYCSJCLLSNT-RKDXNWHRSA-N -1 0 309.326 -0.886 20 0 DBADRM CC1(C(=O)NC2(CCO)CN(Cc3n[nH]c(=O)[n-]3)C2)CCC1 ZINC001448192251 1009606597 /nfs/dbraw/zinc/60/65/97/1009606597.db2.gz YNVKXHIZLIMLAJ-UHFFFAOYSA-N -1 0 309.370 -0.247 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)COc1cccnc1 ZINC001598489793 1017282697 /nfs/dbraw/zinc/28/26/97/1017282697.db2.gz XRKWOKFDHVKQIF-VXGBXAGGSA-N -1 0 321.333 -0.244 20 0 DBADRM CNC(=O)c1cccc(CCNC(=O)NCC(=O)[N-]OC)c1 ZINC001468968193 1009610215 /nfs/dbraw/zinc/61/02/15/1009610215.db2.gz OQLBJALSXOYIAZ-UHFFFAOYSA-N -1 0 308.338 -0.435 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1cn(C)cn1 ZINC001598485186 1017279293 /nfs/dbraw/zinc/27/92/93/1017279293.db2.gz CUMNHUBBWLITDF-VHSXEESVSA-N -1 0 308.338 -0.329 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)C1=CCOCC1 ZINC001598486802 1017279351 /nfs/dbraw/zinc/27/93/51/1017279351.db2.gz WBZYJNIGSDGMHD-NEPJUHHUSA-N -1 0 310.350 -0.029 20 0 DBADRM CN(CCN(C)c1ccnc(C(=O)[O-])n1)C(=O)c1cn[nH]n1 ZINC001598484734 1017280420 /nfs/dbraw/zinc/28/04/20/1017280420.db2.gz GWJDBPQPFGXNSP-UHFFFAOYSA-N -1 0 305.298 -0.499 20 0 DBADRM CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)Cn1ccnc1 ZINC001598482970 1017280444 /nfs/dbraw/zinc/28/04/44/1017280444.db2.gz KPSMJLKWZZVTSN-UHFFFAOYSA-N -1 0 318.337 -0.246 20 0 DBADRM CN(CCCNc1ncc(C(=O)[O-])cn1)C(=O)c1nc[nH]n1 ZINC001598483549 1017280544 /nfs/dbraw/zinc/28/05/44/1017280544.db2.gz TZBKXZIZDDTFPB-UHFFFAOYSA-N -1 0 305.298 -0.133 20 0 DBADRM CN(CCCNC(=O)c1cn(C)nn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598481608 1017280562 /nfs/dbraw/zinc/28/05/62/1017280562.db2.gz VNQNVTHCUVZVRA-IUCAKERBSA-N -1 0 309.326 -0.886 20 0 DBADRM CN(CCN(C)c1ccnc(C(=O)[O-])n1)C(=O)Cn1cncn1 ZINC001598485114 1017280613 /nfs/dbraw/zinc/28/06/13/1017280613.db2.gz NNMBUUDKDXLZJM-UHFFFAOYSA-N -1 0 319.325 -0.639 20 0 DBADRM CN(CCNC(=O)C(=O)NCC1CC1)c1ncc(C(=O)[O-])cn1 ZINC001598489180 1017281115 /nfs/dbraw/zinc/28/11/15/1017281115.db2.gz YAUSVSAUQSJJQF-UHFFFAOYSA-N -1 0 321.337 -0.747 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)CCc1ncccn1 ZINC001598489221 1017281814 /nfs/dbraw/zinc/28/18/14/1017281814.db2.gz LPGHGRSONGUWTP-QWRGUYRKSA-N -1 0 320.349 -0.296 20 0 DBADRM CN(CCNC(=O)CCn1cccn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598489914 1017282231 /nfs/dbraw/zinc/28/22/31/1017282231.db2.gz BKUZIUQPGMMOLD-MNOVXSKESA-N -1 0 308.338 -0.432 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC001469198349 1009640481 /nfs/dbraw/zinc/64/04/81/1009640481.db2.gz RTKHHVAYBZHJEZ-SECBINFHSA-N -1 0 312.326 -0.466 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@@H](c2nnc[nH]2)C1 ZINC001469255663 1009644178 /nfs/dbraw/zinc/64/41/78/1009644178.db2.gz GAWCCSXMWQXGDT-MRVPVSSYSA-N -1 0 307.314 -0.396 20 0 DBADRM NC(=O)c1csc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c1 ZINC001448345736 1009728963 /nfs/dbraw/zinc/72/89/63/1009728963.db2.gz LAKWNOSHSYQSLU-UHFFFAOYSA-N -1 0 322.350 -0.516 20 0 DBADRM CSCC[C@H](NC(=O)[C@H](C)S(C)(=O)=O)c1nnn[n-]1 ZINC001470328818 1009737989 /nfs/dbraw/zinc/73/79/89/1009737989.db2.gz HTLJDTYISMAEFA-BQBZGAKWSA-N -1 0 307.401 -0.457 20 0 DBADRM CN1C(=O)CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1=O ZINC001448433895 1009767112 /nfs/dbraw/zinc/76/71/12/1009767112.db2.gz GBYIFISIWWDXRW-UHFFFAOYSA-N -1 0 316.273 -0.529 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001470583161 1009767323 /nfs/dbraw/zinc/76/73/23/1009767323.db2.gz QYJODCQHWZDOKS-UHFFFAOYSA-N -1 0 305.294 -0.263 20 0 DBADRM C[C@H](O)[C@H](O)CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC001470644931 1009773680 /nfs/dbraw/zinc/77/36/80/1009773680.db2.gz NOPSBUOTBWSLED-GZMMTYOYSA-N -1 0 302.352 -0.470 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC[C@@H](O)C(F)(F)F ZINC001448545905 1009816736 /nfs/dbraw/zinc/81/67/36/1009816736.db2.gz NBNOEYKTLPVQHA-SSDOTTSWSA-N -1 0 319.243 -0.499 20 0 DBADRM COC(=O)C1(O)CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC001471416134 1009823111 /nfs/dbraw/zinc/82/31/11/1009823111.db2.gz NASWZVCSRMRGFT-UHFFFAOYSA-N -1 0 319.273 -0.610 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC001471483920 1009826974 /nfs/dbraw/zinc/82/69/74/1009826974.db2.gz ZVHOYCHJERRIGW-SECBINFHSA-N -1 0 317.342 -0.584 20 0 DBADRM C[C@H](CCNC(=O)CCCF)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001448617536 1009828070 /nfs/dbraw/zinc/82/80/70/1009828070.db2.gz DWEZTMSHQACKIY-MRVPVSSYSA-N -1 0 317.321 -0.550 20 0 DBADRM Cc1n[nH]c(C(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)c1[O-] ZINC001471577155 1009830157 /nfs/dbraw/zinc/83/01/57/1009830157.db2.gz BDGULXQLIJHOBI-UHFFFAOYSA-N -1 0 305.294 -0.049 20 0 DBADRM CC(C)(O)[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001471698998 1009841408 /nfs/dbraw/zinc/84/14/08/1009841408.db2.gz VWDJTZXDWWKZQK-VIFPVBQESA-N -1 0 305.338 -0.309 20 0 DBADRM COc1ccc(CCNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1O ZINC001471696558 1009841821 /nfs/dbraw/zinc/84/18/21/1009841821.db2.gz PNESYHNWNSCOMR-UHFFFAOYSA-N -1 0 308.294 -0.238 20 0 DBADRM CCOC(=O)c1n[nH]nc1[C@H]1CCCN1C(=O)[C@H]1COC(=O)N1 ZINC001471798738 1009844591 /nfs/dbraw/zinc/84/45/91/1009844591.db2.gz UDSBRMQGGRUOEN-HTQZYQBOSA-N -1 0 323.309 -0.247 20 0 DBADRM CCN(CC(OC)OC)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001471836569 1009846843 /nfs/dbraw/zinc/84/68/43/1009846843.db2.gz RBYWCHZSBDNBIF-UHFFFAOYSA-N -1 0 302.331 -0.063 20 0 DBADRM COC[C@H](NC(=O)Cc1ccc(C(N)=O)cc1)c1nnn[n-]1 ZINC001471846581 1009848224 /nfs/dbraw/zinc/84/82/24/1009848224.db2.gz VWUWFFGTDZPVIC-JTQLQIEISA-N -1 0 304.310 -0.655 20 0 DBADRM COC[C@H](NC(=O)c1ccnc2[nH]c(C)nc21)c1nnn[n-]1 ZINC001471844654 1009848546 /nfs/dbraw/zinc/84/85/46/1009848546.db2.gz MVPIMLKNTHDJKZ-QMMMGPOBSA-N -1 0 302.298 -0.103 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)CC1CCCC1)c1nnn[n-]1 ZINC001471846461 1009848666 /nfs/dbraw/zinc/84/86/66/1009848666.db2.gz VOLGAPFHENALGJ-JTQLQIEISA-N -1 0 310.358 -0.300 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1nnn[n-]1 ZINC001471843557 1009848962 /nfs/dbraw/zinc/84/89/62/1009848962.db2.gz KUEFMDOPIPUZIU-QWRGUYRKSA-N -1 0 317.305 -0.215 20 0 DBADRM COC[C@H](NC(=O)CSc1cccc[n+]1[O-])c1nnn[n-]1 ZINC001471846823 1009849671 /nfs/dbraw/zinc/84/96/71/1009849671.db2.gz YGBZZYPVJTVWOZ-QMMMGPOBSA-N -1 0 310.339 -0.571 20 0 DBADRM NC(=O)c1ncccc1C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001471853489 1009850773 /nfs/dbraw/zinc/85/07/73/1009850773.db2.gz KRBGMZNLABNTNB-SECBINFHSA-N -1 0 315.337 -0.212 20 0 DBADRM Cn1ccc([C@@H]2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001471925319 1009855708 /nfs/dbraw/zinc/85/57/08/1009855708.db2.gz WCGVOEANKNMCPR-SECBINFHSA-N -1 0 306.326 -0.171 20 0 DBADRM COC(=O)CCCONC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001472108052 1009865508 /nfs/dbraw/zinc/86/55/08/1009865508.db2.gz RJYMMSKYKJSPIS-UHFFFAOYSA-N -1 0 302.287 -0.530 20 0 DBADRM CO[N-]C(=O)CNC(=O)CNC(=O)NCc1ccc(F)cc1 ZINC001472184946 1009872086 /nfs/dbraw/zinc/87/20/86/1009872086.db2.gz ACSKHBIUBRIZOZ-UHFFFAOYSA-N -1 0 312.301 -0.581 20 0 DBADRM C[C@@H](NC(=O)Cc1nc2ncccn2n1)c1nn(C)cc1[O-] ZINC001472235589 1009875293 /nfs/dbraw/zinc/87/52/93/1009875293.db2.gz DJNYYQOUNRCQFI-MRVPVSSYSA-N -1 0 301.310 -0.017 20 0 DBADRM C[C@@H](NC(=O)c1cn(C(F)(F)CO)nn1)c1nn(C)cc1[O-] ZINC001472236255 1009875770 /nfs/dbraw/zinc/87/57/70/1009875770.db2.gz JJNOXTYYPYTCRT-ZCFIWIBFSA-N -1 0 316.268 -0.250 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@H]2CC(=O)N(C)C2)c1[O-] ZINC001448793378 1009880102 /nfs/dbraw/zinc/88/01/02/1009880102.db2.gz OBNYYJRPEMAYJL-VIFPVBQESA-N -1 0 323.353 -0.910 20 0 DBADRM CCOC(=O)[C@@H](CC)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001472498601 1009886918 /nfs/dbraw/zinc/88/69/18/1009886918.db2.gz OGUCZAONAGKNHR-LURJTMIESA-N -1 0 304.328 -0.264 20 0 DBADRM CCn1nc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)ccc1=O ZINC001472498089 1009887508 /nfs/dbraw/zinc/88/75/08/1009887508.db2.gz IIJSPZOWSMSBOF-UHFFFAOYSA-N -1 0 312.311 -0.963 20 0 DBADRM Cc1cc(C(=O)NCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001448808715 1009887999 /nfs/dbraw/zinc/88/79/99/1009887999.db2.gz BDRDKHXSAZKATQ-UHFFFAOYSA-N -1 0 323.309 -0.521 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1sccc1F ZINC001448832621 1009931456 /nfs/dbraw/zinc/93/14/56/1009931456.db2.gz MLEXLALSJZDYHW-LURJTMIESA-N -1 0 315.330 -0.409 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C1(C(F)F)CC1 ZINC001448846446 1009965057 /nfs/dbraw/zinc/96/50/57/1009965057.db2.gz RKICFXPYBQGRAL-ZCFIWIBFSA-N -1 0 305.285 -0.878 20 0 DBADRM CCc1cccc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)n1 ZINC001448848285 1009969584 /nfs/dbraw/zinc/96/95/84/1009969584.db2.gz YGGKHGJETMSICF-JTQLQIEISA-N -1 0 320.353 -0.652 20 0 DBADRM COC(=O)C1(S(=O)(=O)[N-][C@@]2(C(=O)OC)CCOC2)CCC1 ZINC001475068988 1009993176 /nfs/dbraw/zinc/99/31/76/1009993176.db2.gz UBRCCSDNSKZTFH-NSHDSACASA-N -1 0 321.351 -0.666 20 0 DBADRM C[S@](=O)(=NS(=O)(=O)[N-][C@@H]1CNC(=O)C1)c1ccccc1 ZINC001475171348 1010006427 /nfs/dbraw/zinc/00/64/27/1010006427.db2.gz FZUXCVYMBWMEBC-ZRNGKTOUSA-N -1 0 317.392 -0.134 20 0 DBADRM CCC[C@H]([N-]S(=O)(=O)c1occc1C(=O)OC)C(N)=O ZINC001475276664 1010011290 /nfs/dbraw/zinc/01/12/90/1010011290.db2.gz AWEBUHVULWOMCY-QMMMGPOBSA-N -1 0 304.324 -0.002 20 0 DBADRM Cc1cnc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)c(C)c1 ZINC001448886409 1010017590 /nfs/dbraw/zinc/01/75/90/1010017590.db2.gz TYPDDCQGWXSGDT-SNVBAGLBSA-N -1 0 320.353 -0.597 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001475348970 1010018621 /nfs/dbraw/zinc/01/86/21/1010018621.db2.gz FQXOBGHCNZHRTA-SSDOTTSWSA-N -1 0 323.400 -0.338 20 0 DBADRM CCOC(=O)c1n[nH]c([C@H](C)NS(=O)(=O)[C@@H]2CCOC2)n1 ZINC001475480613 1010029136 /nfs/dbraw/zinc/02/91/36/1010029136.db2.gz BZMZDLBKQDWULR-JGVFFNPUSA-N -1 0 318.355 -0.249 20 0 DBADRM C[C@@H]1[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)CCS1(=O)=O ZINC001475562580 1010035763 /nfs/dbraw/zinc/03/57/63/1010035763.db2.gz HJJHRFFXLCOIKH-RNFRBKRXSA-N -1 0 304.415 -0.876 20 0 DBADRM CCN1CC[C@@H]([N-]S(=O)(=O)c2occc2C(=O)OC)C1=O ZINC001475575984 1010037553 /nfs/dbraw/zinc/03/75/53/1010037553.db2.gz VPRVAYJZLUZMCF-SECBINFHSA-N -1 0 316.335 -0.035 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1COCC[C@H]1O ZINC001475607594 1010039385 /nfs/dbraw/zinc/03/93/85/1010039385.db2.gz RLKSSGNCNGERDO-RKDXNWHRSA-N -1 0 300.402 -0.522 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCOC[C@H]1O ZINC001475640536 1010041852 /nfs/dbraw/zinc/04/18/52/1010041852.db2.gz FJDIFUVSZMCWKU-OOSSNNJISA-N -1 0 314.429 -0.133 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001595222895 1017080800 /nfs/dbraw/zinc/08/08/00/1017080800.db2.gz MLRDVKMYMKOQAP-IWSPIJDZSA-N -1 0 312.301 -0.411 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cnc(Cl)c(OC)c1 ZINC001475746229 1010055778 /nfs/dbraw/zinc/05/57/78/1010055778.db2.gz WVJCFGPVCYUOAZ-UHFFFAOYSA-N -1 0 309.731 -0.301 20 0 DBADRM CC[C@@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@@H]1CCCOC1 ZINC001595230118 1017081080 /nfs/dbraw/zinc/08/10/80/1017081080.db2.gz OSBIXYCYGZYFQM-KXUCPTDWSA-N -1 0 304.318 -0.153 20 0 DBADRM CC[C@H](COC)NC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001595198545 1017081180 /nfs/dbraw/zinc/08/11/80/1017081180.db2.gz IVXSRNRZGWCZMY-BBBLOLIVSA-N -1 0 302.327 -0.073 20 0 DBADRM CC[C@H](COC)NC(=O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001595198667 1017081218 /nfs/dbraw/zinc/08/12/18/1017081218.db2.gz KSCZRIWLJHCZQF-VHSXEESVSA-N -1 0 318.395 -0.196 20 0 DBADRM CC[C@](COC)(NS(=O)(=O)CCn1ccnc1)C(=O)[O-] ZINC001595199442 1017081290 /nfs/dbraw/zinc/08/12/90/1017081290.db2.gz GVNHUAINJFAKMS-LLVKDONJSA-N -1 0 305.356 -0.318 20 0 DBADRM CC[C@@H](NC(=O)CNS(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC001595242377 1017081357 /nfs/dbraw/zinc/08/13/57/1017081357.db2.gz CKRFOTIMRDOERG-MRVPVSSYSA-N -1 0 319.339 -0.451 20 0 DBADRM CC[C@@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@H]1CCCOC1 ZINC001595230119 1017081591 /nfs/dbraw/zinc/08/15/91/1017081591.db2.gz OSBIXYCYGZYFQM-LPEHRKFASA-N -1 0 304.318 -0.153 20 0 DBADRM CC[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C(=O)OC ZINC001595243063 1017081802 /nfs/dbraw/zinc/08/18/02/1017081802.db2.gz UFIUFQXRPMIDLF-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM CC[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C(=O)OC ZINC001595243070 1017081932 /nfs/dbraw/zinc/08/19/32/1017081932.db2.gz UFIUFQXRPMIDLF-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM CC[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001595499732 1017089109 /nfs/dbraw/zinc/08/91/09/1017089109.db2.gz BKHMDELHQSFXKO-MXWKQRLJSA-N -1 0 314.338 -0.676 20 0 DBADRM CCC[C@H](C(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-])S(N)(=O)=O ZINC001595531895 1017089260 /nfs/dbraw/zinc/08/92/60/1017089260.db2.gz AYMMGRZIMCXHRT-OPRDCNLKSA-N -1 0 322.383 -0.466 20 0 DBADRM CC[C@@H](NC(=O)NC[C@H]1C[C@H]1C(=O)[O-])C(=O)N1CCOCC1 ZINC001595253613 1017082365 /nfs/dbraw/zinc/08/23/65/1017082365.db2.gz VCDMRDSQIDLFED-GMTAPVOTSA-N -1 0 313.354 -0.356 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC001476594997 1010074205 /nfs/dbraw/zinc/07/42/05/1010074205.db2.gz JMYMZQREHUZLBA-DYCLVXDSSA-N -1 0 300.388 -0.074 20 0 DBADRM CC[C@@H](OC)C(=O)NC[C@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001595354412 1017083502 /nfs/dbraw/zinc/08/35/02/1017083502.db2.gz WCWLEYLBEJZISO-VHSXEESVSA-N -1 0 312.326 -0.511 20 0 DBADRM CC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001595355219 1017083677 /nfs/dbraw/zinc/08/36/77/1017083677.db2.gz RRBJIKWZWKTAQQ-OPRDCNLKSA-N -1 0 324.337 -0.735 20 0 DBADRM CC[C@]1(C)CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1 ZINC001595370962 1017083851 /nfs/dbraw/zinc/08/38/51/1017083851.db2.gz KSBCTUXTXCYQPW-JRPNMDOOSA-N -1 0 312.366 -0.071 20 0 DBADRM CC[C@@]1(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CCNC1=O ZINC001595366234 1017084127 /nfs/dbraw/zinc/08/41/27/1017084127.db2.gz WXYIHCLHGNGRBF-LKFCYVNXSA-N -1 0 314.338 -0.375 20 0 DBADRM CC[C@H](OC)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001595354485 1017084157 /nfs/dbraw/zinc/08/41/57/1017084157.db2.gz XPWJOIKBZDOIOH-FZMZJTMJSA-N -1 0 300.355 -0.201 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)OCCCC(=O)C(=O)[O-])C1=O ZINC001595372166 1017084266 /nfs/dbraw/zinc/08/42/66/1017084266.db2.gz YVQIGYDBHBZSNU-ZDUSSCGKSA-N -1 0 314.294 -0.316 20 0 DBADRM CCC1(CC)CN(CCC(=O)NCC(=O)[O-])CCS1(=O)=O ZINC001595376235 1017084429 /nfs/dbraw/zinc/08/44/29/1017084429.db2.gz RJMWAEYQNOJLLA-UHFFFAOYSA-N -1 0 320.411 -0.134 20 0 DBADRM CCC1(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])COC1 ZINC001595365158 1017085280 /nfs/dbraw/zinc/08/52/80/1017085280.db2.gz KYPDVSWYJRJSJK-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM CC[C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC001595379436 1017085340 /nfs/dbraw/zinc/08/53/40/1017085340.db2.gz DKUIZSLWHQGJAS-XHDPSFHLSA-N -1 0 312.366 -0.069 20 0 DBADRM CC[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001595483867 1017086143 /nfs/dbraw/zinc/08/61/43/1017086143.db2.gz MWNWRVLFAMDXRG-SECBINFHSA-N -1 0 323.353 -0.391 20 0 DBADRM CC[C@H]1C(=O)N(CC)CCN1CCc1cn(CC(=O)[O-])nn1 ZINC001595400851 1017086197 /nfs/dbraw/zinc/08/61/97/1017086197.db2.gz CSVFWERTOKEEPY-LBPRGKRZSA-N -1 0 309.370 -0.152 20 0 DBADRM CC[C@@H](C(=O)N[C@](C)(CO)C(=O)[O-])N1CCO[C@H](CC)C1 ZINC001595484576 1017086509 /nfs/dbraw/zinc/08/65/09/1017086509.db2.gz SSFCCNZIOXIYCC-UHIISALHSA-N -1 0 302.371 -0.172 20 0 DBADRM CC[C@@H]1CN([C@@H](C)C(=O)NCC(=O)[O-])C[C@H](C)S1(=O)=O ZINC001595482214 1017086788 /nfs/dbraw/zinc/08/67/88/1017086788.db2.gz DBBWMHWMFSBGTA-LPEHRKFASA-N -1 0 306.384 -0.527 20 0 DBADRM CC[C@H](C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])N1CCO[C@H](CC)C1 ZINC001595484700 1017088191 /nfs/dbraw/zinc/08/81/91/1017088191.db2.gz XHMWPBFBXLYETE-FDYHWXHSSA-N -1 0 314.382 -0.078 20 0 DBADRM C[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)C(=O)N(C)C ZINC001478387637 1010140258 /nfs/dbraw/zinc/14/02/58/1010140258.db2.gz JTCBHHMAWCBNJS-DTWKUNHWSA-N -1 0 310.358 -0.124 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC001479112548 1010190795 /nfs/dbraw/zinc/19/07/95/1010190795.db2.gz NWNMIUUUGWYSIG-LURJTMIESA-N -1 0 310.236 -0.642 20 0 DBADRM CN(CCNC(=O)Cc1cnoc1)c1ccnc(C(=O)[O-])n1 ZINC001598491205 1017284796 /nfs/dbraw/zinc/28/47/96/1017284796.db2.gz TUJAMCYSHUCFTQ-UHFFFAOYSA-N -1 0 305.294 -0.042 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1nnc2n1CCCC2 ZINC001598491518 1017285816 /nfs/dbraw/zinc/28/58/16/1017285816.db2.gz ORYWMWDCWIKEIU-WDEREUQCSA-N -1 0 321.381 -0.117 20 0 DBADRM CN(Cc1nc(CS(C)(=O)=O)no1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598537061 1017296736 /nfs/dbraw/zinc/29/67/36/1017296736.db2.gz LEUXBPCNBMYWQR-OCAPTIKFSA-N -1 0 303.340 -0.091 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1nc(N(C)C)no1 ZINC001598490836 1017286010 /nfs/dbraw/zinc/28/60/10/1017286010.db2.gz JSSPCYJWIQNWKS-IUCAKERBSA-N -1 0 311.342 -0.596 20 0 DBADRM CN(CCNC(=O)c1cnccn1)c1ncc(C(=O)[O-])cn1 ZINC001598493241 1017286664 /nfs/dbraw/zinc/28/66/64/1017286664.db2.gz TUVJVFQCZMQDAT-UHFFFAOYSA-N -1 0 302.294 -0.169 20 0 DBADRM CN(CCNC(=O)c1cnns1)c1ncc(C(=O)[O-])cn1 ZINC001598493371 1017288694 /nfs/dbraw/zinc/28/86/94/1017288694.db2.gz ZCRJQYGQQPKJLJ-UHFFFAOYSA-N -1 0 308.323 -0.108 20 0 DBADRM CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CCCN1CCOCC1 ZINC001598542823 1017296885 /nfs/dbraw/zinc/29/68/85/1017296885.db2.gz IKGDOFVAQMYRRV-TXEJJXNPSA-N -1 0 320.411 -0.167 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)Cc1cnoc1 ZINC001598496095 1017290576 /nfs/dbraw/zinc/29/05/76/1017290576.db2.gz VSVHRLUEMLUWEO-UHFFFAOYSA-N -1 0 305.294 -0.302 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1cccnn1 ZINC001598495663 1017290655 /nfs/dbraw/zinc/29/06/55/1017290655.db2.gz LPUJYTUAEZSMLR-UHFFFAOYSA-N -1 0 302.294 -0.429 20 0 DBADRM Cc1coc(C(=O)NCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001449133191 1010298650 /nfs/dbraw/zinc/29/86/50/1010298650.db2.gz JJAKJHRXVWCYAE-UHFFFAOYSA-N -1 0 323.309 -0.521 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1cccc(=O)[nH]1 ZINC001598495296 1017290893 /nfs/dbraw/zinc/29/08/93/1017290893.db2.gz DLTJSZXYOJVNAE-UHFFFAOYSA-N -1 0 317.305 -0.119 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)CCc1nnc[nH]1 ZINC001598495506 1017290964 /nfs/dbraw/zinc/29/09/64/1017290964.db2.gz INVHOAQWNXCBQQ-UHFFFAOYSA-N -1 0 319.325 -0.782 20 0 DBADRM CN(CCNc1ncnc2c1cnn2C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598495863 1017291014 /nfs/dbraw/zinc/29/10/14/1017291014.db2.gz PLUMZDRXCXNYEU-RKDXNWHRSA-N -1 0 318.337 -0.046 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)Cn1ccnc1 ZINC001598496097 1017291021 /nfs/dbraw/zinc/29/10/21/1017291021.db2.gz VUFUZUNQBNOPHW-UHFFFAOYSA-N -1 0 304.310 -0.636 20 0 DBADRM CN(CCO)CCNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001598496471 1017291069 /nfs/dbraw/zinc/29/10/69/1017291069.db2.gz LQIUCNBHXCJONG-UHFFFAOYSA-N -1 0 316.379 -0.484 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)C[C@H]1CCC(=O)N1 ZINC001598495379 1017291663 /nfs/dbraw/zinc/29/16/63/1017291663.db2.gz GGCWRVITURTVNN-SECBINFHSA-N -1 0 321.337 -0.864 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@@H]1CCCNC1=O ZINC001598495706 1017291668 /nfs/dbraw/zinc/29/16/68/1017291668.db2.gz MJWDJRDVZDFKLN-SNVBAGLBSA-N -1 0 321.337 -0.429 20 0 DBADRM CN(Cc1cnn(C)c1)CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001598534521 1017296968 /nfs/dbraw/zinc/29/69/68/1017296968.db2.gz OGMZGKWUYGXUEN-CQSZACIVSA-N -1 0 323.353 -0.015 20 0 DBADRM CN(CCOCCNC(=O)c1cn[nH]c1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598497810 1017292902 /nfs/dbraw/zinc/29/29/02/1017292902.db2.gz LADBPFRCDLITAF-QWRGUYRKSA-N -1 0 324.337 -0.665 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001598500762 1017293072 /nfs/dbraw/zinc/29/30/72/1017293072.db2.gz XLGSHUKSKWLKEG-UHFFFAOYSA-N -1 0 302.312 -0.468 20 0 DBADRM CN(C[C@H](O)CO)C(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001598503627 1017293245 /nfs/dbraw/zinc/29/32/45/1017293245.db2.gz SIXICEKTRNCKHD-NSHDSACASA-N -1 0 319.317 -0.004 20 0 DBADRM CN(CCOCCO)C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001598498141 1017293376 /nfs/dbraw/zinc/29/33/76/1017293376.db2.gz QMHHUUXYLVIVDF-UHFFFAOYSA-N -1 0 310.306 -0.209 20 0 DBADRM CN(CCOCCO)S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001598497641 1017293398 /nfs/dbraw/zinc/29/33/98/1017293398.db2.gz AQESKLLRLKLHHW-UHFFFAOYSA-N -1 0 317.363 -0.057 20 0 DBADRM CN(CCOCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ncccn1 ZINC001598497815 1017293410 /nfs/dbraw/zinc/29/34/10/1017293410.db2.gz LDKVRIZFEHMBHX-QWRGUYRKSA-N -1 0 308.338 -0.234 20 0 DBADRM CN(CCOCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1cc[nH]c1 ZINC001598497871 1017293557 /nfs/dbraw/zinc/29/35/57/1017293557.db2.gz NTABPZXLTWPFAB-VXGBXAGGSA-N -1 0 323.349 -0.060 20 0 DBADRM CN(CCOCCNC(=O)c1cn[nH]c1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598497811 1017294207 /nfs/dbraw/zinc/29/42/07/1017294207.db2.gz LADBPFRCDLITAF-WDEREUQCSA-N -1 0 324.337 -0.665 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001598540067 1017294697 /nfs/dbraw/zinc/29/46/97/1017294697.db2.gz LSNXOUACYRTOEP-DBIOUOCHSA-N -1 0 307.368 -0.349 20 0 DBADRM CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001598542828 1017295625 /nfs/dbraw/zinc/29/56/25/1017295625.db2.gz IXTVSIHLKZDZRD-OLQVQODUSA-N -1 0 319.364 -0.274 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cn1)S(=O)(=O)[C@@H]1COC[C@H]1O ZINC001598516915 1017295872 /nfs/dbraw/zinc/29/58/72/1017295872.db2.gz UTTKNGQDFYYHII-GHMZBOCLSA-N -1 0 316.335 -0.699 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001598533871 1017296227 /nfs/dbraw/zinc/29/62/27/1017296227.db2.gz JEFKLJQLORBESL-AWEZNQCLSA-N -1 0 324.381 -0.464 20 0 DBADRM CO[N-]C(=O)CNC(=O)/C(=C/c1ccccc1)n1nnnc1C ZINC001598520388 1017296443 /nfs/dbraw/zinc/29/64/43/1017296443.db2.gz BQLIATXXGKMKSI-WQLSENKSSA-N -1 0 316.321 -0.227 20 0 DBADRM CN(Cc1ccccc1)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001598526886 1017296488 /nfs/dbraw/zinc/29/64/88/1017296488.db2.gz BLTNPWWQVGQIRY-OLZOCXBDSA-N -1 0 320.345 -0.061 20 0 DBADRM COCCOCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001479900730 1010437532 /nfs/dbraw/zinc/43/75/32/1010437532.db2.gz ZCZNIINHHIJUDQ-JTQLQIEISA-N -1 0 313.358 -0.746 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)Cn1ccnc1 ZINC001449348472 1010448641 /nfs/dbraw/zinc/44/86/41/1010448641.db2.gz RHBAOYMXGFRIKY-UHFFFAOYSA-N -1 0 320.353 -0.101 20 0 DBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H](C)NC(=O)C1CCC1 ZINC001449568811 1010511467 /nfs/dbraw/zinc/51/14/67/1010511467.db2.gz DCKWRDVZWBEPRJ-DTWKUNHWSA-N -1 0 322.365 -0.091 20 0 DBADRM C[C@@H](NC(=O)C1CCC1)[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001449568805 1010511691 /nfs/dbraw/zinc/51/16/91/1010511691.db2.gz DCKWRDVZWBEPRJ-BDAKNGLRSA-N -1 0 322.365 -0.091 20 0 DBADRM CC[C@@H]1CN(Cn2cc(C(=O)[O-])nn2)C[C@@H](C)S1(=O)=O ZINC001595491096 1017090153 /nfs/dbraw/zinc/09/01/53/1017090153.db2.gz LULGQITYPZLYER-RKDXNWHRSA-N -1 0 302.356 -0.169 20 0 DBADRM CC[C@@H]1COCCN1CCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001595500542 1017090536 /nfs/dbraw/zinc/09/05/36/1017090536.db2.gz OXXYXWJTQYUXKL-GRYCIOLGSA-N -1 0 300.355 -0.154 20 0 DBADRM CCC[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccccn1)S(N)(=O)=O ZINC001595535835 1017090710 /nfs/dbraw/zinc/09/07/10/1017090710.db2.gz ICQKNXOIQWFQMP-UWVGGRQHSA-N -1 0 315.351 -0.219 20 0 DBADRM CCC[C@H](C(=O)N1CCSC[C@@H]1CC(=O)[O-])S(N)(=O)=O ZINC001595532114 1017090880 /nfs/dbraw/zinc/09/08/80/1017090880.db2.gz DMKFWMHETAOVCS-DTWKUNHWSA-N -1 0 324.424 -0.138 20 0 DBADRM CCC[C@H](OC)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001595610379 1017093228 /nfs/dbraw/zinc/09/32/28/1017093228.db2.gz BMGUNGDTCMVEPB-ZJUUUORDSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)(CO)ONC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001449784374 1010562061 /nfs/dbraw/zinc/56/20/61/1010562061.db2.gz DQBIZRZTJZQYAU-UHFFFAOYSA-N -1 0 308.294 -0.302 20 0 DBADRM CCC[C@@H](CCO)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001595592166 1017093445 /nfs/dbraw/zinc/09/34/45/1017093445.db2.gz UYLWUQIDJZIARE-QWRGUYRKSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@H](CNC(=O)C(C)(C)F)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001449789174 1010563906 /nfs/dbraw/zinc/56/39/06/1010563906.db2.gz MGQPSFUSILADBF-ZETCQYMHSA-N -1 0 317.321 -0.600 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N(CC(=O)[O-])CC(=O)OC ZINC001595637930 1017096150 /nfs/dbraw/zinc/09/61/50/1017096150.db2.gz YTCPIIAQGHNLHZ-MRVPVSSYSA-N -1 0 303.315 -0.700 20 0 DBADRM CCCN([C@H](C)C(=O)[O-])S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001595831015 1017100135 /nfs/dbraw/zinc/10/01/35/1017100135.db2.gz GXAUMVMXFQWYBD-MNOVXSKESA-N -1 0 308.400 -0.168 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001595724002 1017098920 /nfs/dbraw/zinc/09/89/20/1017098920.db2.gz JEUGRHNDEQQXNE-GXSJLCMTSA-N -1 0 307.368 -0.050 20 0 DBADRM CCCCCCNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001595712194 1017099422 /nfs/dbraw/zinc/09/94/22/1017099422.db2.gz KAZNTZWGSKZHGM-GHMZBOCLSA-N -1 0 300.355 -0.023 20 0 DBADRM CN(c1ccnc(C(=O)[O-])n1)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001598546726 1017298164 /nfs/dbraw/zinc/29/81/64/1017298164.db2.gz NFKQZJOCQMDKBX-VIFPVBQESA-N -1 0 321.337 -0.523 20 0 DBADRM CN(C(=O)CN1CC(=O)N(C)C1=O)c1ncc(C(=O)[O-])s1 ZINC001598550985 1017298205 /nfs/dbraw/zinc/29/82/05/1017298205.db2.gz IICLXDOCTDTORL-UHFFFAOYSA-N -1 0 312.307 -0.302 20 0 DBADRM CN1C(=O)C[C@@H](NC(=O)CCCn2ccc(C(=O)[O-])n2)C1=O ZINC001598547275 1017298259 /nfs/dbraw/zinc/29/82/59/1017298259.db2.gz CJMIBPHLQLFYHV-SECBINFHSA-N -1 0 308.294 -0.765 20 0 DBADRM Cn1nc(NC(=O)N[C@@H]2CCC(=O)N(C)C2=O)cc1C(=O)[O-] ZINC001598547947 1017298400 /nfs/dbraw/zinc/29/84/00/1017298400.db2.gz HGBNMEPYXRHUKF-ZCFIWIBFSA-N -1 0 309.282 -0.613 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1=O ZINC001598545565 1017298471 /nfs/dbraw/zinc/29/84/71/1017298471.db2.gz GWQRMXGSFLUZMX-CLAHSXSESA-N -1 0 323.305 -0.737 20 0 DBADRM CN1C(=O)CN(CC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])C1=O ZINC001598550899 1017298684 /nfs/dbraw/zinc/29/86/84/1017298684.db2.gz DPZRMDKKFQNTQM-YGOYTEALSA-N -1 0 309.322 -0.408 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2cccc(CC(=O)[O-])n2)C1=O ZINC001598545900 1017298769 /nfs/dbraw/zinc/29/87/69/1017298769.db2.gz PPNQWCSLUORYFX-UHFFFAOYSA-N -1 0 320.261 -0.932 20 0 DBADRM CN1C(=O)CN(NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1=O ZINC001598550928 1017299064 /nfs/dbraw/zinc/29/90/64/1017299064.db2.gz GCVGKFDTWQOQNE-UHFFFAOYSA-N -1 0 320.261 -0.752 20 0 DBADRM CN(c1nncs1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001598546582 1017299314 /nfs/dbraw/zinc/29/93/14/1017299314.db2.gz FRDVRUMBMINDNG-UHFFFAOYSA-N -1 0 303.325 -0.356 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001598547831 1017299336 /nfs/dbraw/zinc/29/93/36/1017299336.db2.gz JXIOYGHCGNRMSJ-HZMBPMFUSA-N -1 0 308.338 -0.147 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001598553259 1017300017 /nfs/dbraw/zinc/30/00/17/1017300017.db2.gz ICMMYZYGMZRSOP-SDZLHINSSA-N -1 0 300.336 -0.265 20 0 DBADRM CN1C(=O)COc2ccc(C(=O)N3CC(O)(C(=O)[O-])C3)cc21 ZINC001598553460 1017300466 /nfs/dbraw/zinc/30/04/66/1017300466.db2.gz PWNUDGHPZRXTLZ-UHFFFAOYSA-N -1 0 306.274 -0.687 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001598553933 1017300576 /nfs/dbraw/zinc/30/05/76/1017300576.db2.gz PWCNKMKVTGYSTH-OYSUNCFMSA-N -1 0 316.335 -0.635 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001598553934 1017300820 /nfs/dbraw/zinc/30/08/20/1017300820.db2.gz PWCNKMKVTGYSTH-SUKXWOPLSA-N -1 0 316.335 -0.635 20 0 DBADRM CN1C(=O)CN(CC(=O)N(C2CC2)C2(C(=O)[O-])CCC2)C1=O ZINC001598551312 1017300947 /nfs/dbraw/zinc/30/09/47/1017300947.db2.gz QDWXFGNHPZPSGL-UHFFFAOYSA-N -1 0 309.322 -0.121 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@H](C(=O)[O-])c2ccsc2)C1=O ZINC001598552021 1017301274 /nfs/dbraw/zinc/30/12/74/1017301274.db2.gz ZYACZXKERVSMAY-JTQLQIEISA-N -1 0 311.319 -0.116 20 0 DBADRM CN1C[C@H](C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)NCC1=O ZINC001598559335 1017302819 /nfs/dbraw/zinc/30/28/19/1017302819.db2.gz ICUWNVZHGJKCJK-VXGBXAGGSA-N -1 0 311.382 -0.186 20 0 DBADRM Cn1nc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])cc1Cl ZINC001598561539 1017302893 /nfs/dbraw/zinc/30/28/93/1017302893.db2.gz BZBGVEHWWGJQEW-ZETCQYMHSA-N -1 0 300.702 -0.559 20 0 DBADRM CN1C[C@H](C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)NCC1=O ZINC001598560994 1017302941 /nfs/dbraw/zinc/30/29/41/1017302941.db2.gz WPRZVCRQFDVWRY-WDEREUQCSA-N -1 0 311.382 -0.234 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1=O ZINC001598559434 1017302972 /nfs/dbraw/zinc/30/29/72/1017302972.db2.gz WOTLVFMLEIICRO-KYXWUPHJSA-N -1 0 309.322 -0.504 20 0 DBADRM CN1C[C@H](C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])NCC1=O ZINC001598560280 1017302989 /nfs/dbraw/zinc/30/29/89/1017302989.db2.gz QTVXJCLCDZOARH-VXGBXAGGSA-N -1 0 311.382 -0.186 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])NCC1=O ZINC001598560279 1017303150 /nfs/dbraw/zinc/30/31/50/1017303150.db2.gz QTVXJCLCDZOARH-RYUDHWBXSA-N -1 0 311.382 -0.186 20 0 DBADRM CC(=O)N1CC[C@@H](CN(C)C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001450109847 1010637971 /nfs/dbraw/zinc/63/79/71/1010637971.db2.gz IUOBSIZWVRQZMU-JTQLQIEISA-N -1 0 323.353 -0.458 20 0 DBADRM Cn1nc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cc1Cl ZINC001598561538 1017303652 /nfs/dbraw/zinc/30/36/52/1017303652.db2.gz BZBGVEHWWGJQEW-SSDOTTSWSA-N -1 0 300.702 -0.559 20 0 DBADRM CN1C[C@@H](C(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)NC1=O ZINC001598560521 1017303671 /nfs/dbraw/zinc/30/36/71/1017303671.db2.gz RRVVJDNORAYMFU-CMPLNLGQSA-N -1 0 319.317 -0.113 20 0 DBADRM CN1C[C@@H](C(=O)NCC(=O)NCC(=O)[O-])c2ccccc2C1=O ZINC001598558722 1017303792 /nfs/dbraw/zinc/30/37/92/1017303792.db2.gz DDOLTCGQHXDESD-LLVKDONJSA-N -1 0 319.317 -0.827 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)CCNC(=O)C(C)(C)C)CC1=O ZINC001598561742 1017304042 /nfs/dbraw/zinc/30/40/42/1017304042.db2.gz DVYKWTJJSLNKRF-VIFPVBQESA-N -1 0 313.354 -0.707 20 0 DBADRM CN1CC(=O)N(CC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1=O ZINC001598558607 1017304203 /nfs/dbraw/zinc/30/42/03/1017304203.db2.gz INNSGVQRJIKFFA-MEBBXXQBSA-N -1 0 323.349 -0.016 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001450160740 1010651343 /nfs/dbraw/zinc/65/13/43/1010651343.db2.gz ZNHMBHDWABUWJO-SECBINFHSA-N -1 0 324.362 -0.471 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(CCNC(=O)OC(C)(C)C)CC1=O ZINC001598563558 1017308483 /nfs/dbraw/zinc/30/84/83/1017308483.db2.gz MFQCLQKMKOESLQ-VIFPVBQESA-N -1 0 301.343 -0.262 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001598548864 1017297647 /nfs/dbraw/zinc/29/76/47/1017297647.db2.gz WXLIQFLXYQEGTA-BDAKNGLRSA-N -1 0 300.311 -0.670 20 0 DBADRM CC(C)CC(=O)N[C@@H](C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001450288782 1010679737 /nfs/dbraw/zinc/67/97/37/1010679737.db2.gz KNHNRXQOPKMOEE-QMMMGPOBSA-N -1 0 323.353 -0.094 20 0 DBADRM CCn1ncn([N-]C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)c1=O ZINC001450460643 1010733836 /nfs/dbraw/zinc/73/38/36/1010733836.db2.gz GGHIWVIOUBYMIC-NSHDSACASA-N -1 0 305.342 -0.062 20 0 DBADRM O=C(COc1ccc2c(c1)CCC(=O)N2)Nn1c(=O)[n-][nH]c1=O ZINC001450471502 1010737579 /nfs/dbraw/zinc/73/75/79/1010737579.db2.gz QRHBFGNZEVCQHU-UHFFFAOYSA-N -1 0 319.277 -0.277 20 0 DBADRM CCCC(=O)NC[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001450677346 1010785506 /nfs/dbraw/zinc/78/55/06/1010785506.db2.gz VRLIDMZXBHAVGV-KYZUINATSA-N -1 0 311.342 -0.500 20 0 DBADRM COCCn1ccc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001480888675 1010793086 /nfs/dbraw/zinc/79/30/86/1010793086.db2.gz LSMPNRHCZMCKNP-UHFFFAOYSA-N -1 0 323.357 -0.785 20 0 DBADRM Cc1cc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001480886660 1010793222 /nfs/dbraw/zinc/79/32/22/1010793222.db2.gz QEOYIMAFEUHGGJ-UHFFFAOYSA-N -1 0 319.325 -0.757 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001480921744 1010805493 /nfs/dbraw/zinc/80/54/93/1010805493.db2.gz QPVHRUQRCXGKGR-SNVBAGLBSA-N -1 0 324.385 -0.683 20 0 DBADRM Cc1ncc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)c(C)n1 ZINC001480926424 1010807982 /nfs/dbraw/zinc/80/79/82/1010807982.db2.gz VFEJDUZWOOCNAB-UHFFFAOYSA-N -1 0 305.342 -0.221 20 0 DBADRM C[C@@H](CN(C)C(=O)CC1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001450872414 1010810325 /nfs/dbraw/zinc/81/03/25/1010810325.db2.gz GZUGBOGUBXOZEW-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM CCc1ncncc1C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001480948178 1010812402 /nfs/dbraw/zinc/81/24/02/1010812402.db2.gz WYOHEIMMDMUGNZ-UHFFFAOYSA-N -1 0 305.342 -0.276 20 0 DBADRM CCN(CCNC(=O)c1cncc(OC)n1)Cc1n[nH]c(=O)[n-]1 ZINC001481004932 1010825758 /nfs/dbraw/zinc/82/57/58/1010825758.db2.gz LFBRWEOEPQMDJN-UHFFFAOYSA-N -1 0 321.341 -0.439 20 0 DBADRM O=C(CNC(=O)C1CC1)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001481029066 1010831057 /nfs/dbraw/zinc/83/10/57/1010831057.db2.gz SLRVCAVUFULCPU-JTQLQIEISA-N -1 0 322.369 -0.883 20 0 DBADRM CCC(=O)N[C@H](CC)CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001450999119 1010834065 /nfs/dbraw/zinc/83/40/65/1010834065.db2.gz IIIFNTNPQRDFLO-MRVPVSSYSA-N -1 0 311.342 -0.364 20 0 DBADRM CC[C@H](CNC(=O)CCCF)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001451063360 1010845293 /nfs/dbraw/zinc/84/52/93/1010845293.db2.gz CBEHJGBBRKHCPF-SSDOTTSWSA-N -1 0 315.305 -0.343 20 0 DBADRM CN1CC[C@H](C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)C1=O ZINC001481182490 1010855692 /nfs/dbraw/zinc/85/56/92/1010855692.db2.gz SXLAWFOLUGQTDD-SNVBAGLBSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C(NCC1(NC(=O)C2CC2)CCCC1)c1n[nH]c(=O)[n-]c1=O ZINC001451145226 1010857235 /nfs/dbraw/zinc/85/72/35/1010857235.db2.gz YEKDIPDPZAPUFF-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC12CC2 ZINC001451150906 1010859223 /nfs/dbraw/zinc/85/92/23/1010859223.db2.gz HQWYLINXHBNOKF-SFYZADRCSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNCc2nnnn2C2CC2)c1[O-] ZINC001481221269 1010863746 /nfs/dbraw/zinc/86/37/46/1010863746.db2.gz IUJYWFOKUZJKEP-UHFFFAOYSA-N -1 0 320.357 -0.393 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)N1C[C@H](O)[C@H](CO)C1 ZINC001451189844 1010864657 /nfs/dbraw/zinc/86/46/57/1010864657.db2.gz SIIKHCZSZMEPCT-WDSKDSINSA-N -1 0 307.422 -0.270 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)N1C[C@@H](O)[C@H](CO)C1 ZINC001451189697 1010864797 /nfs/dbraw/zinc/86/47/97/1010864797.db2.gz SIIKHCZSZMEPCT-NTSWFWBYSA-N -1 0 307.422 -0.270 20 0 DBADRM CC(=O)N[C@](C)(CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001451205817 1010868145 /nfs/dbraw/zinc/86/81/45/1010868145.db2.gz DLGZUSGBCPJQFN-CQSZACIVSA-N -1 0 323.353 -0.364 20 0 DBADRM CCCC(=O)NC[C@H](CO)NC(=O)c1c[n-]n2c1nccc2=O ZINC001451283928 1010877885 /nfs/dbraw/zinc/87/78/85/1010877885.db2.gz UUPWEZTXHWPPHA-SECBINFHSA-N -1 0 321.337 -0.970 20 0 DBADRM CC[C@@H](OC)C(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001451355987 1010906661 /nfs/dbraw/zinc/90/66/61/1010906661.db2.gz TVZTWSSNNYIDLX-DTWKUNHWSA-N -1 0 314.342 -0.944 20 0 DBADRM CC[C@@H](OC)C(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001451355990 1010906764 /nfs/dbraw/zinc/90/67/64/1010906764.db2.gz TVZTWSSNNYIDLX-RKDXNWHRSA-N -1 0 314.342 -0.944 20 0 DBADRM CC[C@H](OC)C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001451362985 1010909169 /nfs/dbraw/zinc/90/91/69/1010909169.db2.gz HHQBJTRUYUHJSB-IUCAKERBSA-N -1 0 314.342 -0.944 20 0 DBADRM CC[C@@H](OC)C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001451362986 1010909345 /nfs/dbraw/zinc/90/93/45/1010909345.db2.gz HHQBJTRUYUHJSB-RKDXNWHRSA-N -1 0 314.342 -0.944 20 0 DBADRM CC[C@@H](OC)C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001451362984 1010909463 /nfs/dbraw/zinc/90/94/63/1010909463.db2.gz HHQBJTRUYUHJSB-DTWKUNHWSA-N -1 0 314.342 -0.944 20 0 DBADRM CC[C@H](OC)C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001451362983 1010909820 /nfs/dbraw/zinc/90/98/20/1010909820.db2.gz HHQBJTRUYUHJSB-BDAKNGLRSA-N -1 0 314.342 -0.944 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)CC2CCC2)c1[O-] ZINC001451365471 1010910431 /nfs/dbraw/zinc/91/04/31/1010910431.db2.gz LYQMWKVFFAFQCJ-SNVBAGLBSA-N -1 0 310.354 -0.179 20 0 DBADRM CCCNC(=O)CN1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001481619260 1010937448 /nfs/dbraw/zinc/93/74/48/1010937448.db2.gz MXHVASJVOQEHFY-UHFFFAOYSA-N -1 0 309.370 -0.388 20 0 DBADRM O=C(N[C@H](CO)[C@@H]1CCCOC1)c1c[n-]n2c1nccc2=O ZINC001451455724 1010957618 /nfs/dbraw/zinc/95/76/18/1010957618.db2.gz YZRWMLLCSVQCCT-MWLCHTKSSA-N -1 0 306.322 -0.460 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001451499133 1010970852 /nfs/dbraw/zinc/97/08/52/1010970852.db2.gz NQVQQKAJEPEBLH-JGVFFNPUSA-N -1 0 311.342 -0.189 20 0 DBADRM CNC(=O)C1(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCC1 ZINC001481708527 1010974374 /nfs/dbraw/zinc/97/43/74/1010974374.db2.gz ZLONIBMMHCKOJU-SECBINFHSA-N -1 0 322.369 -0.883 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481712653 1010977110 /nfs/dbraw/zinc/97/71/10/1010977110.db2.gz GYEHIQTYIMNLCR-SCZZXKLOSA-N -1 0 310.358 -0.932 20 0 DBADRM CN(C(=O)CCCC(N)=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481754085 1010991452 /nfs/dbraw/zinc/99/14/52/1010991452.db2.gz IBTDHHDVWZEXKV-VIFPVBQESA-N -1 0 310.358 -0.801 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NCc1cn(C)nn1 ZINC001481805353 1011002059 /nfs/dbraw/zinc/00/20/59/1011002059.db2.gz KXZCLUYOWIESLK-SECBINFHSA-N -1 0 307.358 -0.150 20 0 DBADRM CC[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)NC ZINC001451576030 1011003050 /nfs/dbraw/zinc/00/30/50/1011003050.db2.gz PFPJYNIJSUSNQR-QMMMGPOBSA-N -1 0 305.294 -0.310 20 0 DBADRM CCC(=O)N[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CC(C)C ZINC001451706301 1011027660 /nfs/dbraw/zinc/02/76/60/1011027660.db2.gz AJUQHURCHJLDSY-QMMMGPOBSA-N -1 0 311.342 -0.047 20 0 DBADRM COCCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)C(F)F ZINC001452120391 1011111752 /nfs/dbraw/zinc/11/17/52/1011111752.db2.gz ARKLBXYARVBZPP-UHFFFAOYSA-N -1 0 320.296 -0.106 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)CN1CCCNC1=O)c1nc(=O)o[n-]1 ZINC001452148538 1011115237 /nfs/dbraw/zinc/11/52/37/1011115237.db2.gz KELQBVZPTGAZLP-VIFPVBQESA-N -1 0 311.342 -0.018 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)CC(C)(F)F)c1[O-] ZINC001452310211 1011183509 /nfs/dbraw/zinc/18/35/09/1011183509.db2.gz MESPXBXKZMNSQD-SSDOTTSWSA-N -1 0 320.296 -0.324 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ccccn1 ZINC001482610948 1011214493 /nfs/dbraw/zinc/21/44/93/1011214493.db2.gz NEEJEDBOTBXSBK-UHFFFAOYSA-N -1 0 318.337 -0.118 20 0 DBADRM CC(C)C(=O)N[C@@H](C)C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001452360621 1011228519 /nfs/dbraw/zinc/22/85/19/1011228519.db2.gz SSGBFBGCRVFJMT-BDAKNGLRSA-N -1 0 313.358 -0.255 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc(S(C)(=O)=O)o1 ZINC001452369285 1011230106 /nfs/dbraw/zinc/23/01/06/1011230106.db2.gz YMTBDERVVQUXSH-UHFFFAOYSA-N -1 0 301.280 -0.368 20 0 DBADRM COC[C@H](OC)C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001482627863 1011234932 /nfs/dbraw/zinc/23/49/32/1011234932.db2.gz VHUVSLPQTWSELF-VIFPVBQESA-N -1 0 301.347 -0.938 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@]2(C(N)=O)CCOC2)cc1=O ZINC001452497871 1011285964 /nfs/dbraw/zinc/28/59/64/1011285964.db2.gz WBAMRUIBKUKIFJ-CQSZACIVSA-N -1 0 310.354 -0.865 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCC[C@]1(O)CCCOC1 ZINC001452758953 1011391205 /nfs/dbraw/zinc/39/12/05/1011391205.db2.gz OPABSZAOHATCDG-CYBMUJFWSA-N -1 0 314.342 -0.483 20 0 DBADRM CN1C[C@H](NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC1=O ZINC001598567400 1017310890 /nfs/dbraw/zinc/31/08/90/1017310890.db2.gz FDDQFSMCQBLNPP-OPRDCNLKSA-N -1 0 304.368 -0.220 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])CC1=O ZINC001598567519 1017311096 /nfs/dbraw/zinc/31/10/96/1017311096.db2.gz HOLULSOWOQTAOP-MRVPVSSYSA-N -1 0 323.280 -0.191 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)Cc2cnn3ccccc23)CC1=O ZINC001598565694 1017311547 /nfs/dbraw/zinc/31/15/47/1017311547.db2.gz YMAZJJZFVFIYCW-LBPRGKRZSA-N -1 0 316.317 -0.369 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@H](C(=O)[O-])c2cccnc2)S1(=O)=O ZINC001598580805 1017316305 /nfs/dbraw/zinc/31/63/05/1017316305.db2.gz OIVMMWFYWOGTGP-VHSXEESVSA-N -1 0 313.335 -0.643 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)C1=O ZINC001598579051 1017316587 /nfs/dbraw/zinc/31/65/87/1017316587.db2.gz SUHUZEZEPDGDNM-SECBINFHSA-N -1 0 309.322 -0.313 20 0 DBADRM CN1CC[C@H](C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001598579476 1017316837 /nfs/dbraw/zinc/31/68/37/1017316837.db2.gz YNXVSONHLUWOBD-BDAKNGLRSA-N -1 0 307.310 -0.772 20 0 DBADRM CN1CC[C@@H](C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)CC1=O ZINC001598577755 1017316924 /nfs/dbraw/zinc/31/69/24/1017316924.db2.gz FQHDQLASNBOUHF-MRVPVSSYSA-N -1 0 306.322 -0.098 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@H](C(=O)[O-])c2cccnc2)S1(=O)=O ZINC001598580804 1017317872 /nfs/dbraw/zinc/31/78/72/1017317872.db2.gz OIVMMWFYWOGTGP-UWVGGRQHSA-N -1 0 313.335 -0.643 20 0 DBADRM CN1CC[C@H](C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CC1=O ZINC001598579487 1017318350 /nfs/dbraw/zinc/31/83/50/1017318350.db2.gz YUMPRZPSEBXDIL-LKFCYVNXSA-N -1 0 309.322 -0.313 20 0 DBADRM CN1CC[C@H](CNS(=O)(=O)C2(C(=O)[O-])CCC2)CC1=O ZINC001598584165 1017320157 /nfs/dbraw/zinc/32/01/57/1017320157.db2.gz SHOVHSQLKWSFSP-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CN1CC[C@H](NC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)C1=O ZINC001598585416 1017321783 /nfs/dbraw/zinc/32/17/83/1017321783.db2.gz GJBJVWHIXVNRFJ-QMMMGPOBSA-N -1 0 307.310 -0.553 20 0 DBADRM CC(C)[C@@H](F)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001452938496 1011472140 /nfs/dbraw/zinc/47/21/40/1011472140.db2.gz JLIVJWKNRPATCJ-NKWVEPMBSA-N -1 0 315.305 -0.489 20 0 DBADRM O=C(NCCS(=O)(=O)CC(F)(F)F)c1c[n-]ncc1=O ZINC001452975662 1011482552 /nfs/dbraw/zinc/48/25/52/1011482552.db2.gz MLRJQCSBHDEZPT-UHFFFAOYSA-N -1 0 313.257 -0.111 20 0 DBADRM Cc1[nH]nc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)c1C ZINC001482992927 1011582332 /nfs/dbraw/zinc/58/23/32/1011582332.db2.gz HAGRJMVGXXHWCV-ONEGZZNKSA-N -1 0 305.342 -0.074 20 0 DBADRM CC(C)(C)C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001453269361 1011587420 /nfs/dbraw/zinc/58/74/20/1011587420.db2.gz QBFKLBHCJKDVKZ-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM Cn1ccc(=O)c(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)c1 ZINC001483034370 1011628346 /nfs/dbraw/zinc/62/83/46/1011628346.db2.gz FRTXEDNKIJYOJG-NSCUHMNNSA-N -1 0 318.337 -0.715 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1(CNC(=O)C2=CCCC2)CC1 ZINC001453351377 1011631893 /nfs/dbraw/zinc/63/18/93/1011631893.db2.gz XZTSDHHOIDBKSA-UHFFFAOYSA-N -1 0 321.337 -0.435 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)C3=COCCO3)CC2)c1[O-] ZINC001453359001 1011637245 /nfs/dbraw/zinc/63/72/45/1011637245.db2.gz MNBYWAOQDXUWOC-UHFFFAOYSA-N -1 0 322.321 -0.309 20 0 DBADRM CCC(=O)N1CCC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001453793790 1011814403 /nfs/dbraw/zinc/81/44/03/1011814403.db2.gz JQZFLRBMEZUGDE-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CC(=O)N1CC[C@](C)(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001453872217 1011827801 /nfs/dbraw/zinc/82/78/01/1011827801.db2.gz VESWJSWAJQXBLQ-ZDUSSCGKSA-N -1 0 309.326 -0.658 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001483385945 1011862412 /nfs/dbraw/zinc/86/24/12/1011862412.db2.gz ZLPMHVSIPSODMQ-RKDXNWHRSA-N -1 0 301.347 -0.892 20 0 DBADRM CC(=O)NC[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001454094826 1011864884 /nfs/dbraw/zinc/86/48/84/1011864884.db2.gz RSMLFLBAMICQOH-SNVBAGLBSA-N -1 0 311.342 -0.500 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCc2nccnc2C1 ZINC001454115080 1011869283 /nfs/dbraw/zinc/86/92/83/1011869283.db2.gz GYYICLBLTRKQDP-UHFFFAOYSA-N -1 0 311.305 -0.554 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)Nn2ccc(=O)[nH]c2=O)cc1=O ZINC001454278977 1011898594 /nfs/dbraw/zinc/89/85/94/1011898594.db2.gz VDYYQDXQCYIKFV-UHFFFAOYSA-N -1 0 307.310 -0.593 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001595787564 1017100893 /nfs/dbraw/zinc/10/08/93/1017100893.db2.gz OJORIGUABRGFIH-SCZZXKLOSA-N -1 0 308.356 -0.936 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001595787261 1017101022 /nfs/dbraw/zinc/10/10/22/1017101022.db2.gz KEQOISQUBZKOQN-UHFFFAOYSA-N -1 0 318.355 -0.224 20 0 DBADRM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001595786887 1017101663 /nfs/dbraw/zinc/10/16/63/1017101663.db2.gz AKFSJTHPJWXTER-VHSXEESVSA-N -1 0 322.383 -0.858 20 0 DBADRM CCC(=O)NC[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001454415719 1011984829 /nfs/dbraw/zinc/98/48/29/1011984829.db2.gz ZKNRDUVCLDNSOV-MRVPVSSYSA-N -1 0 309.326 -0.339 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1cnnn1C ZINC001595878473 1017103025 /nfs/dbraw/zinc/10/30/25/1017103025.db2.gz CWVPGGINVFPLPD-ZJUUUORDSA-N -1 0 323.353 -0.496 20 0 DBADRM CCCN1C[C@@H](C(=O)OCCn2cc(C(=O)[O-])nn2)CC1=O ZINC001595895607 1017104431 /nfs/dbraw/zinc/10/44/31/1017104431.db2.gz FPOHLMUWILLXDZ-VIFPVBQESA-N -1 0 310.310 -0.222 20 0 DBADRM COC[C@H](NC(=O)c1cc(-n2cccn2)ccn1)c1nnn[n-]1 ZINC001595889762 1017104838 /nfs/dbraw/zinc/10/48/38/1017104838.db2.gz XXGLFFKBGZCVEE-NSHDSACASA-N -1 0 314.309 -0.102 20 0 DBADRM CCCNC(=O)CNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001595922033 1017106877 /nfs/dbraw/zinc/10/68/77/1017106877.db2.gz QANAOQLDXCLRSX-VIFPVBQESA-N -1 0 324.341 -0.541 20 0 DBADRM CCCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001595926145 1017107420 /nfs/dbraw/zinc/10/74/20/1017107420.db2.gz ICVDBTYEFJMXAK-UHFFFAOYSA-N -1 0 301.324 -0.416 20 0 DBADRM CCCNC(=O)[C@H](C)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001595915438 1017107489 /nfs/dbraw/zinc/10/74/89/1017107489.db2.gz MVXDCYZCQRNUHV-QMMMGPOBSA-N -1 0 315.351 -0.027 20 0 DBADRM CCCNC(=O)CN1CC=C(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001595921851 1017107830 /nfs/dbraw/zinc/10/78/30/1017107830.db2.gz MONSRRLNSPQGNW-CHWSQXEVSA-N -1 0 323.393 -0.018 20 0 DBADRM O=C(CCC(=O)N1CCOC[C@H]1c1nnn[n-]1)NC1CCCC1 ZINC001454552960 1012032518 /nfs/dbraw/zinc/03/25/18/1012032518.db2.gz JEUSPVKDBPPXHN-NSHDSACASA-N -1 0 322.369 -0.061 20 0 DBADRM COc1ccccc1C(=O)C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454553843 1012033744 /nfs/dbraw/zinc/03/37/44/1012033744.db2.gz MRFJGDHLUIKHKY-SNVBAGLBSA-N -1 0 317.305 -0.009 20 0 DBADRM CCCNC(=O)NC(=O)CN1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC001595926238 1017108271 /nfs/dbraw/zinc/10/82/71/1017108271.db2.gz YJWFYSVGTCDDRN-VHSXEESVSA-N -1 0 301.343 -0.214 20 0 DBADRM CCCNC(=O)NC(=O)Cn1nc(C(=O)OC)cc1C(=O)[O-] ZINC001595925894 1017108343 /nfs/dbraw/zinc/10/83/43/1017108343.db2.gz NNXOKCNWDWXNCV-UHFFFAOYSA-N -1 0 312.282 -0.396 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cn1 ZINC001454555491 1012037432 /nfs/dbraw/zinc/03/74/32/1012037432.db2.gz LKGIDFILQQIWMY-SNVBAGLBSA-N -1 0 318.293 -0.405 20 0 DBADRM C[C@H](C(=O)N1CCOC[C@@H]1c1nnn[n-]1)[C@@H](C)S(C)(=O)=O ZINC001454556590 1012038983 /nfs/dbraw/zinc/03/89/83/1012038983.db2.gz XOHVWDBXXZKTIH-DJLDLDEBSA-N -1 0 317.371 -0.831 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001483683953 1012048395 /nfs/dbraw/zinc/04/83/95/1012048395.db2.gz BECZDZBKELBGNI-SNVBAGLBSA-N -1 0 324.385 -0.637 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@H]1CCN1CCF ZINC001483690069 1012057191 /nfs/dbraw/zinc/05/71/91/1012057191.db2.gz YFZLNYKCYRXABR-SECBINFHSA-N -1 0 308.317 -0.769 20 0 DBADRM O=C(CCN1CCCC1=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001483702265 1012070047 /nfs/dbraw/zinc/07/00/47/1012070047.db2.gz NIYKXVNXLVWIED-JTQLQIEISA-N -1 0 322.369 -0.787 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CCCF ZINC001454698110 1012101604 /nfs/dbraw/zinc/10/16/04/1012101604.db2.gz UKZWFKRQIWRKKH-SSDOTTSWSA-N -1 0 303.294 -0.940 20 0 DBADRM CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001454836713 1012143012 /nfs/dbraw/zinc/14/30/12/1012143012.db2.gz OQEULXVNSAIRIZ-JTQLQIEISA-N -1 0 323.353 -0.862 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(NCc2cscn2)CC1 ZINC001483787488 1012143531 /nfs/dbraw/zinc/14/35/31/1012143531.db2.gz SIYMJSZMWOZSEW-UHFFFAOYSA-N -1 0 324.366 -0.416 20 0 DBADRM COC(=O)C1=NO[C@@]2(CCN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC001454918347 1012162666 /nfs/dbraw/zinc/16/26/66/1012162666.db2.gz CZVNYVCSDOKUEM-ZDUSSCGKSA-N -1 0 308.294 -0.042 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001455023600 1012192874 /nfs/dbraw/zinc/19/28/74/1012192874.db2.gz WCKLOUDDMBICBI-UHFFFAOYSA-N -1 0 316.387 -0.767 20 0 DBADRM CN(C(=O)CCc1cnn(C)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001483893066 1012193657 /nfs/dbraw/zinc/19/36/57/1012193657.db2.gz JDCWJHSCOWBFAV-UHFFFAOYSA-N -1 0 319.369 -0.481 20 0 DBADRM NC(=O)c1cnc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)c(Cl)c1 ZINC001455129757 1012225813 /nfs/dbraw/zinc/22/58/13/1012225813.db2.gz GAMGUADNDBNIAH-LURJTMIESA-N -1 0 321.728 -0.023 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CC[C@H](c2nnn[n-]2)C1)C(C)C ZINC001455128825 1012225851 /nfs/dbraw/zinc/22/58/51/1012225851.db2.gz CNAJXGNKQKSQDU-ONGXEEELSA-N -1 0 310.358 -0.697 20 0 DBADRM COC(=O)c1ccc(CC(=O)N2CC[C@H](c3nnn[n-]3)C2)cn1 ZINC001455134253 1012230577 /nfs/dbraw/zinc/23/05/77/1012230577.db2.gz RVDILCXZBJFMBG-JTQLQIEISA-N -1 0 316.321 -0.060 20 0 DBADRM Cn1ccnc1C1(O)CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001455154368 1012243468 /nfs/dbraw/zinc/24/34/68/1012243468.db2.gz RUYDWEDBAJOSMM-UHFFFAOYSA-N -1 0 314.305 -0.900 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)C1(S(N)(=O)=O)CC1 ZINC001455323977 1012338868 /nfs/dbraw/zinc/33/88/68/1012338868.db2.gz SIIHDLSTDULDRB-UHFFFAOYSA-N -1 0 302.360 -0.995 20 0 DBADRM C[C@@H](C(=O)NC1(c2nnn[n-]2)CCC1)[C@H](C)S(C)(=O)=O ZINC001455349564 1012357682 /nfs/dbraw/zinc/35/76/82/1012357682.db2.gz OPINLQSTYSBYKR-SFYZADRCSA-N -1 0 301.372 -0.236 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@H]1CC12CC2 ZINC001455369431 1012363895 /nfs/dbraw/zinc/36/38/95/1012363895.db2.gz KKZFTZANYOANQT-SSDOTTSWSA-N -1 0 307.310 -0.729 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)c1ccn(C)c1 ZINC001455369349 1012364663 /nfs/dbraw/zinc/36/46/63/1012364663.db2.gz JEJWQJJRJFTHRP-UHFFFAOYSA-N -1 0 320.309 -0.877 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001455414676 1012391275 /nfs/dbraw/zinc/39/12/75/1012391275.db2.gz ZNTWEPLIFGRXFQ-MYJAWHEDSA-N -1 0 308.338 -0.496 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C(C)(F)F ZINC001455633309 1012467587 /nfs/dbraw/zinc/46/75/87/1012467587.db2.gz BHDQOEHQIGQEEB-UHFFFAOYSA-N -1 0 321.284 -0.691 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CCCCC1 ZINC001484258616 1012475579 /nfs/dbraw/zinc/47/55/79/1012475579.db2.gz ULUQTLTVYURBCW-UHFFFAOYSA-N -1 0 309.370 -0.247 20 0 DBADRM Cc1cscc1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484266830 1012490973 /nfs/dbraw/zinc/49/09/73/1012490973.db2.gz FKPIWDIUGRBYOT-UHFFFAOYSA-N -1 0 323.378 -0.143 20 0 DBADRM COC[C@H](NC(=O)c1cnn2cc(C)cnc12)c1nnn[n-]1 ZINC001455728306 1012491874 /nfs/dbraw/zinc/49/18/74/1012491874.db2.gz HJWDPIDVEYZKPW-VIFPVBQESA-N -1 0 302.298 -0.332 20 0 DBADRM COC[C@@H](NC(=O)c1cnn2cc(C)cnc12)c1nnn[n-]1 ZINC001455728297 1012494664 /nfs/dbraw/zinc/49/46/64/1012494664.db2.gz HJWDPIDVEYZKPW-SECBINFHSA-N -1 0 302.298 -0.332 20 0 DBADRM NC(=O)c1cc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)c[nH]1 ZINC001455737803 1012497496 /nfs/dbraw/zinc/49/74/96/1012497496.db2.gz APJQVEQUXVWVDU-MRVPVSSYSA-N -1 0 303.326 -0.278 20 0 DBADRM COC[C@H](NC(=O)c1ccc(CNC(C)=O)cc1)c1nnn[n-]1 ZINC001455732856 1012497725 /nfs/dbraw/zinc/49/77/25/1012497725.db2.gz AAERWPMEFFCZLM-LBPRGKRZSA-N -1 0 318.337 -0.047 20 0 DBADRM COC[C@@H](NC(=O)c1cncc2ncn(C)c21)c1nnn[n-]1 ZINC001455730990 1012498127 /nfs/dbraw/zinc/49/81/27/1012498127.db2.gz UHFIFNUASLUGJV-SECBINFHSA-N -1 0 302.298 -0.401 20 0 DBADRM O=C(CNC(=O)N1CCCC1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001455740228 1012500032 /nfs/dbraw/zinc/50/00/32/1012500032.db2.gz GZEOUKOQNIARJY-NSHDSACASA-N -1 0 321.385 -0.214 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@@H](O)c2c[nH]cn2)cc1=O ZINC001455739003 1012501997 /nfs/dbraw/zinc/50/19/97/1012501997.db2.gz KWXNYMHSMLGAOI-GFCCVEGCSA-N -1 0 307.354 -0.052 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC2(CC1)C[C@H](O)CCO2 ZINC001456148794 1012566662 /nfs/dbraw/zinc/56/66/62/1012566662.db2.gz KWYTVKFAELRHCT-MRVPVSSYSA-N -1 0 310.310 -0.571 20 0 DBADRM C[C@]1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCNC1=O ZINC001456276126 1012623558 /nfs/dbraw/zinc/62/35/58/1012623558.db2.gz HIGZSHZAQLFMSQ-LBPRGKRZSA-N -1 0 313.335 -0.952 20 0 DBADRM CC[C@H](F)C(=O)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484439872 1012652769 /nfs/dbraw/zinc/65/27/69/1012652769.db2.gz ILKUMJJCOAHANZ-TVQRCGJNSA-N -1 0 315.349 -0.299 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)C[C@H]1CS(N)(=O)=O ZINC001456508648 1012742734 /nfs/dbraw/zinc/74/27/34/1012742734.db2.gz XCHHZWVXHXOLQR-SFYZADRCSA-N -1 0 302.356 -0.878 20 0 DBADRM CC(C)(F)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001484584576 1012780651 /nfs/dbraw/zinc/78/06/51/1012780651.db2.gz PARXCJDPYUPCTH-QMMMGPOBSA-N -1 0 301.322 -0.425 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001484592602 1012787567 /nfs/dbraw/zinc/78/75/67/1012787567.db2.gz GRIUPDABCDCIMI-GXSJLCMTSA-N -1 0 309.370 -0.127 20 0 DBADRM CCC(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCCC1 ZINC001457034826 1012845404 /nfs/dbraw/zinc/84/54/04/1012845404.db2.gz RIRJGOSUVGHPMV-UHFFFAOYSA-N -1 0 311.342 -0.356 20 0 DBADRM CCC[C@H](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001596022994 1017112346 /nfs/dbraw/zinc/11/23/46/1017112346.db2.gz XYQNZAMBRSCYFQ-UWVGGRQHSA-N -1 0 304.368 -0.078 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001596008861 1017113455 /nfs/dbraw/zinc/11/34/55/1017113455.db2.gz WEYLXMPWTXUFFZ-GMTAPVOTSA-N -1 0 322.365 -0.078 20 0 DBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC001595980183 1017113993 /nfs/dbraw/zinc/11/39/93/1017113993.db2.gz RFPJDKYYJQXWHY-NXEZZACHSA-N -1 0 322.383 -0.858 20 0 DBADRM CCN(C(=O)c1cnc(C(=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC001596172901 1017117581 /nfs/dbraw/zinc/11/75/81/1017117581.db2.gz KKZIHTVGUXCMEO-MRVPVSSYSA-N -1 0 313.335 -0.176 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001596181153 1017118086 /nfs/dbraw/zinc/11/80/86/1017118086.db2.gz NSYCLMJXOPMZCC-OPRDCNLKSA-N -1 0 301.343 -0.358 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001596180494 1017118247 /nfs/dbraw/zinc/11/82/47/1017118247.db2.gz BFEKQWYDKHNFCO-QMMMGPOBSA-N -1 0 324.337 -0.057 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001596180683 1017118405 /nfs/dbraw/zinc/11/84/05/1017118405.db2.gz FPAJDHURQUBBOW-VIFPVBQESA-N -1 0 316.358 -0.867 20 0 DBADRM CCN(C)S(=O)(=O)NC1(C(=O)[O-])CCC(C(=O)OC)CC1 ZINC001596194141 1017119481 /nfs/dbraw/zinc/11/94/81/1017119481.db2.gz CBHZVYDCQZTDHC-UHFFFAOYSA-N -1 0 322.383 -0.041 20 0 DBADRM CCN(CC(=O)[O-])C(=O)c1c2c(nn1C)CCS(=O)(=O)C2 ZINC001596219080 1017119633 /nfs/dbraw/zinc/11/96/33/1017119633.db2.gz CTQNFIJBCDIHOX-UHFFFAOYSA-N -1 0 315.351 -0.562 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)OC ZINC001596294289 1017122884 /nfs/dbraw/zinc/12/28/84/1017122884.db2.gz OLPXYXLQJXJNTC-SECBINFHSA-N -1 0 308.356 -0.431 20 0 DBADRM CCN(CC)C(=O)CN(C)CCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596246000 1017123763 /nfs/dbraw/zinc/12/37/63/1017123763.db2.gz LKCWWPOICJCRTK-NWDGAFQWSA-N -1 0 313.398 -0.034 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)Cc1cnc[nH]1 ZINC001596331655 1017128147 /nfs/dbraw/zinc/12/81/47/1017128147.db2.gz CUMJOBQCTQMNLU-WDEREUQCSA-N -1 0 308.338 -0.362 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)Cc1[nH]cnc1C ZINC001596332690 1017128262 /nfs/dbraw/zinc/12/82/62/1017128262.db2.gz KXFTZFCAPWJWFW-MNOVXSKESA-N -1 0 322.365 -0.054 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc2nnnn2n1 ZINC001596332640 1017129128 /nfs/dbraw/zinc/12/91/28/1017129128.db2.gz KPCBXUUMAGAZKC-RKDXNWHRSA-N -1 0 319.325 -0.818 20 0 DBADRM CCN(CCNC(=O)c1ccn(C)n1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596336071 1017130787 /nfs/dbraw/zinc/13/07/87/1017130787.db2.gz YWDKMQUSLLKJIL-NXEZZACHSA-N -1 0 308.338 -0.281 20 0 DBADRM CCN(CCO)C(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001596340742 1017131362 /nfs/dbraw/zinc/13/13/62/1017131362.db2.gz GWHCOSNKRMEJFS-UHFFFAOYSA-N -1 0 324.289 -0.107 20 0 DBADRM CCN(CCNC(=O)c1cnn(C)c1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596334743 1017132014 /nfs/dbraw/zinc/13/20/14/1017132014.db2.gz CDWWEMBJMFGMMX-GHMZBOCLSA-N -1 0 308.338 -0.281 20 0 DBADRM CCN(CCNC(=O)c1cnnn1C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596335364 1017132132 /nfs/dbraw/zinc/13/21/32/1017132132.db2.gz NEJKCHDBOYLHKX-IUCAKERBSA-N -1 0 309.326 -0.886 20 0 DBADRM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H]1COC(=O)N1 ZINC001596340475 1017132341 /nfs/dbraw/zinc/13/23/41/1017132341.db2.gz AIMQUFHFHSBGGB-SECBINFHSA-N -1 0 323.309 -0.456 20 0 DBADRM CCN(OC)C(=O)CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001596384576 1017133429 /nfs/dbraw/zinc/13/34/29/1017133429.db2.gz XWQFVUDQBPSBOR-VIFPVBQESA-N -1 0 303.315 -0.719 20 0 DBADRM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)C(C)(C)C(N)=O ZINC001596341413 1017134082 /nfs/dbraw/zinc/13/40/82/1017134082.db2.gz ZNRBNJBJDIYBHH-UHFFFAOYSA-N -1 0 323.353 -0.053 20 0 DBADRM CCN(c1cnn(C)c1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001596388274 1017134860 /nfs/dbraw/zinc/13/48/60/1017134860.db2.gz PCFYWGMHIXUJRM-UHFFFAOYSA-N -1 0 313.339 -0.084 20 0 DBADRM CCN(CCS(C)(=O)=O)C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001596346739 1017135107 /nfs/dbraw/zinc/13/51/07/1017135107.db2.gz HBZRDUMDUIGLDY-UHFFFAOYSA-N -1 0 303.340 -0.526 20 0 DBADRM CCN1C[C@@H](CN2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)CC1=O ZINC001596396092 1017136594 /nfs/dbraw/zinc/13/65/94/1017136594.db2.gz NQKXSWZKCCKGPG-SJQPAMGKSA-N -1 0 309.322 -0.504 20 0 DBADRM CCN1C(=O)C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])[C@H]1c1cccnc1 ZINC001596391997 1017137082 /nfs/dbraw/zinc/13/70/82/1017137082.db2.gz BCJHDPVMOONGQS-GMXVVIOVSA-N -1 0 321.333 -0.447 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@](C)(CCF)C(=O)[O-])CC1=O ZINC001596401503 1017137106 /nfs/dbraw/zinc/13/71/06/1017137106.db2.gz DTOOPSSUKCPLLZ-GZMMTYOYSA-N -1 0 310.347 -0.271 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)CC1=O ZINC001596403115 1017139140 /nfs/dbraw/zinc/13/91/40/1017139140.db2.gz UPHYPRWSVHZVHA-XEVUQIKYSA-N -1 0 302.352 -0.514 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])CC1=O ZINC001596403123 1017139329 /nfs/dbraw/zinc/13/93/29/1017139329.db2.gz UZXSFNZZLDNTLT-RNFRBKRXSA-N -1 0 314.310 -0.365 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])CC1=O ZINC001596403121 1017140183 /nfs/dbraw/zinc/14/01/83/1017140183.db2.gz UZXSFNZZLDNTLT-BQBZGAKWSA-N -1 0 314.310 -0.365 20 0 DBADRM O=C(NCCCn1nc2n(c1=O)CCCC2)c1c[n-]ncc1=O ZINC001596430672 1017143161 /nfs/dbraw/zinc/14/31/61/1017143161.db2.gz KNYNWSXDUIRZGX-UHFFFAOYSA-N -1 0 318.337 -0.303 20 0 DBADRM CCN1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1=O ZINC001596427422 1017143480 /nfs/dbraw/zinc/14/34/80/1017143480.db2.gz BDPKFBAVECLKAB-UHFFFAOYSA-N -1 0 322.321 -0.648 20 0 DBADRM CCN1CCC[C@H](NS(=O)(=O)C2(C(=O)[O-])CCC2)C1=O ZINC001596418882 1017144132 /nfs/dbraw/zinc/14/41/32/1017144132.db2.gz XMYCXXYNLFONHY-VIFPVBQESA-N -1 0 304.368 -0.076 20 0 DBADRM CCN1CCN(CC(=O)OCc2occc2C(=O)[O-])C(=O)C1=O ZINC001596433741 1017145025 /nfs/dbraw/zinc/14/50/25/1017145025.db2.gz BKUKOWKZGASENR-UHFFFAOYSA-N -1 0 324.289 -0.288 20 0 DBADRM CCN1CCN(CCc2cn(CC(=O)[O-])nn2)C(C)(C)C1=O ZINC001596436099 1017146834 /nfs/dbraw/zinc/14/68/34/1017146834.db2.gz GEUFPIKZDAGZGS-UHFFFAOYSA-N -1 0 309.370 -0.152 20 0 DBADRM CCN1CCN(CCc2noc([C@H](C)CC(=O)[O-])n2)C(=O)C1=O ZINC001596436627 1017147039 /nfs/dbraw/zinc/14/70/39/1017147039.db2.gz XDPPCYSVGLCBGY-SECBINFHSA-N -1 0 324.337 -0.119 20 0 DBADRM CCN1CCO[C@@H](C(=O)NCCNc2ncc(C(=O)[O-])cn2)C1 ZINC001596442822 1017147432 /nfs/dbraw/zinc/14/74/32/1017147432.db2.gz SOYQNKXBKFVART-LLVKDONJSA-N -1 0 323.353 -0.576 20 0 DBADRM CCNC(=O)CC(=O)NCCN(CC)c1ccnc(C(=O)[O-])n1 ZINC001596455936 1017149135 /nfs/dbraw/zinc/14/91/35/1017149135.db2.gz CTPWQFNIPHWCAU-UHFFFAOYSA-N -1 0 323.353 -0.357 20 0 DBADRM CCNC(=O)CC(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001596456463 1017149825 /nfs/dbraw/zinc/14/98/25/1017149825.db2.gz PXFQSSKIWMFANU-QMMMGPOBSA-N -1 0 309.326 -0.961 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001596452218 1017150377 /nfs/dbraw/zinc/15/03/77/1017150377.db2.gz PIIPKGULYAFIEZ-VIFPVBQESA-N -1 0 321.333 -0.107 20 0 DBADRM CCNC(=O)CC(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001596456560 1017150384 /nfs/dbraw/zinc/15/03/84/1017150384.db2.gz TUDZJEPPTYGSPL-UHFFFAOYSA-N -1 0 321.337 -0.816 20 0 DBADRM CCNC(=O)NCCNS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001596470810 1017152680 /nfs/dbraw/zinc/15/26/80/1017152680.db2.gz IZXIVKFCNTUNMR-UHFFFAOYSA-N -1 0 321.399 -0.130 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCOC1)C(C)=O ZINC001596525399 1017154286 /nfs/dbraw/zinc/15/42/86/1017154286.db2.gz AYVNKNSWLTULIX-TVQRCGJNSA-N -1 0 301.295 -0.495 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001596519214 1017154436 /nfs/dbraw/zinc/15/44/36/1017154436.db2.gz JPGKALLVKBCVGW-ZETCQYMHSA-N -1 0 300.267 -0.043 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(c2ncncc2C(=O)[O-])C1 ZINC001596495623 1017155294 /nfs/dbraw/zinc/15/52/94/1017155294.db2.gz CEQMKKCNGLRKIJ-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(c2ncncc2C(=O)[O-])C1 ZINC001596495624 1017155694 /nfs/dbraw/zinc/15/56/94/1017155694.db2.gz CEQMKKCNGLRKIJ-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM CCOC(=O)[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])[C@H](O)c1ccncc1 ZINC001596533858 1017157079 /nfs/dbraw/zinc/15/70/79/1017157079.db2.gz BCFWRUZGGOMCKL-WHOHXGKFSA-N -1 0 322.317 -0.116 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C(C)=O ZINC001596527465 1017157455 /nfs/dbraw/zinc/15/74/55/1017157455.db2.gz ZJCOYOGPOLLRCR-IEBDPFPHSA-N -1 0 315.322 -0.155 20 0 DBADRM CCOC(=O)[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001596533857 1017158645 /nfs/dbraw/zinc/15/86/45/1017158645.db2.gz BCFWRUZGGOMCKL-USZNOCQGSA-N -1 0 322.317 -0.116 20 0 DBADRM CCOC(=O)C1(CC(=O)N[C@@](C)(CO)C(=O)[O-])CCOCC1 ZINC001596552049 1017158651 /nfs/dbraw/zinc/15/86/51/1017158651.db2.gz KCIKVWDDYUUZHY-ZDUSSCGKSA-N -1 0 317.338 -0.312 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN(C)[C@H](COC(C)C)C(=O)[O-] ZINC001596616008 1017162421 /nfs/dbraw/zinc/16/24/21/1017162421.db2.gz KACHREYATFXWFW-LLVKDONJSA-N -1 0 318.370 -0.182 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)NCc1ncc(C(=O)[O-])s1 ZINC001596595867 1017162477 /nfs/dbraw/zinc/16/24/77/1017162477.db2.gz VZNFDUQEYKPARU-LURJTMIESA-N -1 0 302.308 -0.228 20 0 DBADRM CCOC(=O)COCCNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001596628814 1017164800 /nfs/dbraw/zinc/16/48/00/1017164800.db2.gz KMTRQMNFFUCYRE-MWLCHTKSSA-N -1 0 318.326 -0.645 20 0 DBADRM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@H](CC)C(=O)[O-])C1 ZINC001596642458 1017165174 /nfs/dbraw/zinc/16/51/74/1017165174.db2.gz BKBWACNHKTWSLP-KXUCPTDWSA-N -1 0 302.327 -0.337 20 0 DBADRM CCOC(=O)N1CCC[C@@H](C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1 ZINC001596650080 1017165714 /nfs/dbraw/zinc/16/57/14/1017165714.db2.gz HJQBRDQZYQRSRE-GMTAPVOTSA-N -1 0 314.338 -0.099 20 0 DBADRM CCOC(=O)COCCNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001596629262 1017165754 /nfs/dbraw/zinc/16/57/54/1017165754.db2.gz QLXXPIOBWFXKTP-ZJUUUORDSA-N -1 0 323.367 -0.261 20 0 DBADRM CCOC(=O)N1CCC[C@H](C(=O)N[C@@](C)(CO)C(=O)[O-])C1 ZINC001596651326 1017165866 /nfs/dbraw/zinc/16/58/66/1017165866.db2.gz UZYWKYAYIVRHCK-ZANVPECISA-N -1 0 302.327 -0.193 20 0 DBADRM CCOC(=O)N1CCC(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)CC1 ZINC001596643734 1017166195 /nfs/dbraw/zinc/16/61/95/1017166195.db2.gz ZICDCZQBDCGINM-AWEZNQCLSA-N -1 0 314.338 -0.097 20 0 DBADRM CCOC(=O)c1nccc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])n1 ZINC001596754875 1017167692 /nfs/dbraw/zinc/16/76/92/1017167692.db2.gz XHYOGYYMGJYWFZ-SECBINFHSA-N -1 0 322.321 -0.177 20 0 DBADRM CCOC(=O)c1cc(CS(=O)(=O)N(C)CC(=O)[O-])on1 ZINC001596706569 1017168440 /nfs/dbraw/zinc/16/84/40/1017168440.db2.gz ODLKHSSECOFZOE-UHFFFAOYSA-N -1 0 306.296 -0.303 20 0 DBADRM CCOC(=O)c1nccc(NCCC(=O)NCCC(=O)[O-])n1 ZINC001596754222 1017168983 /nfs/dbraw/zinc/16/89/83/1017168983.db2.gz JHJKQHDRPHUDOD-UHFFFAOYSA-N -1 0 310.310 -0.532 20 0 DBADRM CCO[C@@H]1C[C@@H](N2C(=O)N[C@H](CCC(=O)[O-])C2=O)[C@H]1OC ZINC001596814533 1017170402 /nfs/dbraw/zinc/17/04/02/1017170402.db2.gz ZIYCGUBMQHNSJT-TURQNECASA-N -1 0 300.311 -0.036 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)N2CC(O)(C(=O)[O-])C2)[C@@]12CCCO2 ZINC001596818053 1017170954 /nfs/dbraw/zinc/17/09/54/1017170954.db2.gz OSCYEDMKDCATFK-RULNRJAQSA-N -1 0 314.338 -0.446 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)N2CC(O)(C(=O)[O-])C2)[C@]12CCCO2 ZINC001596818051 1017171010 /nfs/dbraw/zinc/17/10/10/1017171010.db2.gz OSCYEDMKDCATFK-IMSIIYSGSA-N -1 0 314.338 -0.446 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)N2CC(O)(C(=O)[O-])C2)[C@@]12CCCO2 ZINC001596818052 1017171556 /nfs/dbraw/zinc/17/15/56/1017171556.db2.gz OSCYEDMKDCATFK-RBZYPMLTSA-N -1 0 314.338 -0.446 20 0 DBADRM CCOC(C)(C)CNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001596768564 1017171623 /nfs/dbraw/zinc/17/16/23/1017171623.db2.gz HPFWMUMSVQQYRX-SNVBAGLBSA-N -1 0 316.354 -0.380 20 0 DBADRM CCOC1(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CCOCC1 ZINC001596789414 1017171680 /nfs/dbraw/zinc/17/16/80/1017171680.db2.gz CWOKLYJCKKGEGB-MNOVXSKESA-N -1 0 301.339 -0.134 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](C)NS(=O)(=O)CC ZINC001596868422 1017172937 /nfs/dbraw/zinc/17/29/37/1017172937.db2.gz KLYWTJQPJNWNAM-RKDXNWHRSA-N -1 0 310.372 -0.738 20 0 DBADRM CCO[C@@H]1C[C@](NC(=O)[C@@H]2CN(C)C(=O)N2)(C(=O)[O-])C1(C)C ZINC001596818166 1017172969 /nfs/dbraw/zinc/17/29/69/1017172969.db2.gz LMKVKRWKGCPORK-QIBSRJKCSA-N -1 0 313.354 -0.215 20 0 DBADRM CCOCC(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001596860426 1017173749 /nfs/dbraw/zinc/17/37/49/1017173749.db2.gz DHEDVLDPTIFUEU-ZJUUUORDSA-N -1 0 308.338 -0.108 20 0 DBADRM CCOCCCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001596916816 1017179000 /nfs/dbraw/zinc/17/90/00/1017179000.db2.gz LYYFYAZVPDZFEK-NXEZZACHSA-N -1 0 302.327 -0.072 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1coc(S(N)(=O)=O)c1 ZINC001596876564 1017175707 /nfs/dbraw/zinc/17/57/07/1017175707.db2.gz BGSBBXNXBCDKDS-MRVPVSSYSA-N -1 0 320.323 -0.511 20 0 DBADRM CCOCCOC[C@H](O)CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001596934655 1017180737 /nfs/dbraw/zinc/18/07/37/1017180737.db2.gz QUIXNBBZRHZWPF-MXWKQRLJSA-N -1 0 305.327 -0.851 20 0 DBADRM CCOCCN1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])CCO2 ZINC001596928819 1017178094 /nfs/dbraw/zinc/17/80/94/1017178094.db2.gz DNNBUPQIYOVJCA-NWDGAFQWSA-N -1 0 312.366 -0.343 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001596888955 1017178908 /nfs/dbraw/zinc/17/89/08/1017178908.db2.gz DFAQTEAAHZLMPM-DCAQKATOSA-N -1 0 309.384 -0.244 20 0 DBADRM CCOCCOCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001596935029 1017180494 /nfs/dbraw/zinc/18/04/94/1017180494.db2.gz GYTXYGYSYRYOKS-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM CCOC[C@H](C)NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001596946542 1017180652 /nfs/dbraw/zinc/18/06/52/1017180652.db2.gz WFEZNEKOYSKXPO-IVZWLZJFSA-N -1 0 302.327 -0.772 20 0 DBADRM CCON(CC)C(=O)CNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001596963426 1017183511 /nfs/dbraw/zinc/18/35/11/1017183511.db2.gz JFECSGZEFXOUOH-UWVGGRQHSA-N -1 0 317.342 -0.330 20 0 DBADRM CCON(CC)C(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001596963134 1017183747 /nfs/dbraw/zinc/18/37/47/1017183747.db2.gz GWVQPWJVLQDBAK-IINYFYTJSA-N -1 0 314.338 -0.264 20 0 DBADRM CCON(CC)C(=O)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001596963146 1017184118 /nfs/dbraw/zinc/18/41/18/1017184118.db2.gz CDHYUURIARKZPZ-UHFFFAOYSA-N -1 0 320.327 -0.814 20 0 DBADRM CCO[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)C1 ZINC001596986303 1017184206 /nfs/dbraw/zinc/18/42/06/1017184206.db2.gz JXQSJYGTGLTIKA-RBZYPMLTSA-N -1 0 314.338 -0.628 20 0 DBADRM CCON(C)C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001596963894 1017184366 /nfs/dbraw/zinc/18/43/66/1017184366.db2.gz QTYQVFXDGKIBHE-UHFFFAOYSA-N -1 0 306.296 -0.334 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC001596968857 1017184787 /nfs/dbraw/zinc/18/47/87/1017184787.db2.gz RFEHXJJFBRIFBI-UHFFFAOYSA-N -1 0 316.358 -0.756 20 0 DBADRM CCOc1ccccc1C(=O)NCC(=O)NC[C@H](O)CC(=O)[O-] ZINC001597167797 1017186850 /nfs/dbraw/zinc/18/68/50/1017186850.db2.gz FJDKZGRUZSNFCC-SNVBAGLBSA-N -1 0 324.333 -0.233 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001597213697 1017189700 /nfs/dbraw/zinc/18/97/00/1017189700.db2.gz JKBHOQAKJZKMLP-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM CCN(CCNC(=O)Cc1c[nH]cn1)C(=O)c1n[nH]c(C)c1[O-] ZINC001497007261 1017190844 /nfs/dbraw/zinc/19/08/44/1017190844.db2.gz MBNYJOCETXATQR-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM CCS(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001597225657 1017192488 /nfs/dbraw/zinc/19/24/88/1017192488.db2.gz VMPBHOYSKCZCDP-VHSXEESVSA-N -1 0 322.383 -0.736 20 0 DBADRM CC[C@@H]1C[C@H]1NC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001597301584 1017195241 /nfs/dbraw/zinc/19/52/41/1017195241.db2.gz ZFPRGRLSZGUEPB-OPRDCNLKSA-N -1 0 321.337 -0.336 20 0 DBADRM CCSCc1cc(C(=O)NCC(=O)NCC(=O)[O-])no1 ZINC001597263111 1017195288 /nfs/dbraw/zinc/19/52/88/1017195288.db2.gz AUWRKGGQIKRCLD-UHFFFAOYSA-N -1 0 301.324 -0.142 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001597321759 1017195426 /nfs/dbraw/zinc/19/54/26/1017195426.db2.gz DPTBKVJPNFFYBE-GDPRMGEGSA-N -1 0 311.342 -0.602 20 0 DBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001597303400 1017195548 /nfs/dbraw/zinc/19/55/48/1017195548.db2.gz FATREUDEUUOXRV-BBBLOLIVSA-N -1 0 305.352 -0.488 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cc(OC)ccc1C(=O)[O-])C(N)=O ZINC001597291457 1017196309 /nfs/dbraw/zinc/19/63/09/1017196309.db2.gz IGCKRDYKJPOWFE-SECBINFHSA-N -1 0 316.335 -0.064 20 0 DBADRM CC[C@H](NC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001597343388 1017196695 /nfs/dbraw/zinc/19/66/95/1017196695.db2.gz VSEZZGWTGBISGN-QMMMGPOBSA-N -1 0 302.327 -0.052 20 0 DBADRM CCc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1C ZINC001597426463 1017198037 /nfs/dbraw/zinc/19/80/37/1017198037.db2.gz INKBKCQFHDVULC-WDEREUQCSA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1c(C(=O)NCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cnn1C ZINC001597407170 1017198505 /nfs/dbraw/zinc/19/85/05/1017198505.db2.gz SGXNELISVMISPX-ZJUUUORDSA-N -1 0 322.365 -0.109 20 0 DBADRM CCc1c(C(=O)NCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])cnn1C ZINC001597407169 1017198608 /nfs/dbraw/zinc/19/86/08/1017198608.db2.gz SGXNELISVMISPX-VHSXEESVSA-N -1 0 322.365 -0.109 20 0 DBADRM CCc1c(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cnn1C ZINC001597406898 1017198828 /nfs/dbraw/zinc/19/88/28/1017198828.db2.gz YKSDCGLTJUZBMJ-ZJUUUORDSA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1n[nH]cc1C(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597399610 1017198888 /nfs/dbraw/zinc/19/88/88/1017198888.db2.gz JWLSZLSMUVTHTR-BDAKNGLRSA-N -1 0 306.322 -0.367 20 0 DBADRM CCc1cc(C(=O)N(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n(C)n1 ZINC001597426720 1017199336 /nfs/dbraw/zinc/19/93/36/1017199336.db2.gz KTDRTNUPIGBGRT-QWRGUYRKSA-N -1 0 322.365 -0.109 20 0 DBADRM CCc1nnc(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])[nH]1 ZINC001597668821 1017203486 /nfs/dbraw/zinc/20/34/86/1017203486.db2.gz IQBVRWXGGILYPX-QMMMGPOBSA-N -1 0 302.356 -0.559 20 0 DBADRM CCc1nc[nH]c1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597697400 1017203994 /nfs/dbraw/zinc/20/39/94/1017203994.db2.gz CSODGAPDKPLADH-NXEZZACHSA-N -1 0 320.349 -0.024 20 0 DBADRM CCc1nnc(CNS(=O)(=O)c2cc(C(=O)[O-])cn2C)[nH]1 ZINC001597674167 1017204243 /nfs/dbraw/zinc/20/42/43/1017204243.db2.gz WAURKTSUCDXNGA-UHFFFAOYSA-N -1 0 313.339 -0.118 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001597778270 1017206096 /nfs/dbraw/zinc/20/60/96/1017206096.db2.gz ACUKGYCESCXMBE-SFYZADRCSA-N -1 0 319.335 -0.344 20 0 DBADRM CCc1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CCCn1cnnn1 ZINC001597731197 1017206284 /nfs/dbraw/zinc/20/62/84/1017206284.db2.gz XRKHJORENQFHOB-SNVBAGLBSA-N -1 0 320.357 -0.172 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CNC(=O)C1 ZINC001597784902 1017206457 /nfs/dbraw/zinc/20/64/57/1017206457.db2.gz QZJSNDVSLHZHHW-LURJTMIESA-N -1 0 302.308 -0.293 20 0 DBADRM CCc1nnsc1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597741716 1017206483 /nfs/dbraw/zinc/20/64/83/1017206483.db2.gz RRMATFCYUHUHNE-JGVFFNPUSA-N -1 0 324.362 -0.238 20 0 DBADRM CCc1noc(NC(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)n1 ZINC001597750768 1017206512 /nfs/dbraw/zinc/20/65/12/1017206512.db2.gz JRPFOZGKGGCOES-BQBZGAKWSA-N -1 0 312.282 -0.031 20 0 DBADRM CCc1nnc(N2CC[C@@H](C(=O)[O-])C2)n1Cc1nncn1C ZINC001597730416 1017206957 /nfs/dbraw/zinc/20/69/57/1017206957.db2.gz OPMGHZWRVSXGIM-SECBINFHSA-N -1 0 305.342 -0.072 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)CN1CCSC[C@@H]1CC(=O)[O-] ZINC001598283502 1017256013 /nfs/dbraw/zinc/25/60/13/1017256013.db2.gz XAJZZMPUFMZTQC-LXGOIASLSA-N -1 0 323.440 -0.021 20 0 DBADRM CCn1c(C[S@@](C)=O)nnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC001597857487 1017208144 /nfs/dbraw/zinc/20/81/44/1017208144.db2.gz XSZGUTIFLUSBRO-JLTPVHFHSA-N -1 0 316.383 -0.144 20 0 DBADRM CCn1c(Cc2cc[nH]n2)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001597857538 1017208210 /nfs/dbraw/zinc/20/82/10/1017208210.db2.gz ZDVMXIYMIHEYFN-SNVBAGLBSA-N -1 0 306.326 -0.098 20 0 DBADRM CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC001597843117 1017208922 /nfs/dbraw/zinc/20/89/22/1017208922.db2.gz GYZIWJUUUAEYPI-UWVGGRQHSA-N -1 0 323.353 -0.071 20 0 DBADRM CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H](CF)C(=O)[O-])ccc21 ZINC001597836997 1017208971 /nfs/dbraw/zinc/20/89/71/1017208971.db2.gz UZENGYDOYKHKCV-VIFPVBQESA-N -1 0 323.280 -0.138 20 0 DBADRM CCn1cc(-c2nn(C)cc2C(=O)NC[C@@H](O)CC(=O)[O-])cn1 ZINC001597869813 1017209346 /nfs/dbraw/zinc/20/93/46/1017209346.db2.gz IXUNKKUPBVQROS-JTQLQIEISA-N -1 0 321.337 -0.131 20 0 DBADRM CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001597843822 1017209623 /nfs/dbraw/zinc/20/96/23/1017209623.db2.gz LZEQQFKPMGHCFY-VHSXEESVSA-N -1 0 323.353 -0.467 20 0 DBADRM CCn1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])nn1 ZINC001597876236 1017210713 /nfs/dbraw/zinc/21/07/13/1017210713.db2.gz XDXFSPCZCUJXPJ-UHFFFAOYSA-N -1 0 311.342 -0.843 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)nn1 ZINC001597887577 1017211854 /nfs/dbraw/zinc/21/18/54/1017211854.db2.gz OYIPPLDDOQLOCV-PSASIEDQSA-N -1 0 309.326 -0.764 20 0 DBADRM CCn1cc(C(=O)O[C@@H]2COC[C@H]2n2cc(C(=O)[O-])nn2)cn1 ZINC001597881748 1017211858 /nfs/dbraw/zinc/21/18/58/1017211858.db2.gz CNNGCLHRFQYMTO-GHMZBOCLSA-N -1 0 321.293 -0.010 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cn1 ZINC001597895419 1017212204 /nfs/dbraw/zinc/21/22/04/1017212204.db2.gz KZOBKKAVCQMXKG-PSASIEDQSA-N -1 0 310.310 -0.458 20 0 DBADRM CCn1cc(Cl)c(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])n1 ZINC001597890330 1017212467 /nfs/dbraw/zinc/21/24/67/1017212467.db2.gz KNPXAVNDMYVQSY-MRVPVSSYSA-N -1 0 314.729 -0.076 20 0 DBADRM CCn1cc(CN(C)CCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nn1 ZINC001597887648 1017212479 /nfs/dbraw/zinc/21/24/79/1017212479.db2.gz QQQIIQCYPGQEHO-VXGBXAGGSA-N -1 0 309.370 -0.043 20 0 DBADRM CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001597876755 1017212581 /nfs/dbraw/zinc/21/25/81/1017212581.db2.gz IFYYSRSNSGJTFJ-AATLWQCWSA-N -1 0 321.337 -0.604 20 0 DBADRM CCn1ccc(CNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)n1 ZINC001597905081 1017214092 /nfs/dbraw/zinc/21/40/92/1017214092.db2.gz VBEZDZYIRXGBID-GHMZBOCLSA-N -1 0 324.337 -0.082 20 0 DBADRM CCn1ccc(CNC(=O)NCCC(=O)NCCC(=O)[O-])n1 ZINC001597904311 1017214156 /nfs/dbraw/zinc/21/41/56/1017214156.db2.gz GWRNOIIEOQBKGJ-UHFFFAOYSA-N -1 0 311.342 -0.317 20 0 DBADRM CCn1ccc(CN(C)C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC001597904202 1017214501 /nfs/dbraw/zinc/21/45/01/1017214501.db2.gz DESBTDDPXUMQAU-LBPRGKRZSA-N -1 0 323.349 -0.222 20 0 DBADRM CCn1ccnc1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597911595 1017214581 /nfs/dbraw/zinc/21/45/81/1017214581.db2.gz WFBKWYQSFGJFEV-QWRGUYRKSA-N -1 0 320.349 -0.094 20 0 DBADRM CCn1ccc(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])n1 ZINC001597904462 1017214611 /nfs/dbraw/zinc/21/46/11/1017214611.db2.gz IKYJDPIJUASAQH-UHFFFAOYSA-N -1 0 324.381 -0.309 20 0 DBADRM CCn1cnc(C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)c1 ZINC001597916547 1017214685 /nfs/dbraw/zinc/21/46/85/1017214685.db2.gz OXPMYMIRBTVGIY-UHFFFAOYSA-N -1 0 318.337 -0.003 20 0 DBADRM CCn1ccnc1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597911596 1017214838 /nfs/dbraw/zinc/21/48/38/1017214838.db2.gz WFBKWYQSFGJFEV-WDEREUQCSA-N -1 0 320.349 -0.094 20 0 DBADRM CCn1ccc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001597904236 1017215089 /nfs/dbraw/zinc/21/50/89/1017215089.db2.gz FMRSLBCKPWPZPK-VXGBXAGGSA-N -1 0 322.365 -0.713 20 0 DBADRM CN1CC[C@](Cc2ccccc2)(C(=O)[N-]OCC(N)=O)C1=O ZINC001597917436 1017216397 /nfs/dbraw/zinc/21/63/97/1017216397.db2.gz JYQKRZYPOKBUBF-HNNXBMFYSA-N -1 0 305.334 -0.389 20 0 DBADRM CCn1nc(C)cc1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597943498 1017216443 /nfs/dbraw/zinc/21/64/43/1017216443.db2.gz YGLXLNLUHCZBJM-QWRGUYRKSA-N -1 0 320.349 -0.127 20 0 DBADRM CCn1nc(C)cc1NC(=O)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001597945020 1017217674 /nfs/dbraw/zinc/21/76/74/1017217674.db2.gz SUYYEQSLWWHNIE-KOLCDFICSA-N -1 0 324.337 -0.414 20 0 DBADRM CCn1nccc1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001597962978 1017218345 /nfs/dbraw/zinc/21/83/45/1017218345.db2.gz QAEVTFBBFHHOSV-QWRGUYRKSA-N -1 0 320.349 -0.092 20 0 DBADRM CCn1nccc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001597965191 1017218428 /nfs/dbraw/zinc/21/84/28/1017218428.db2.gz AYNTVMRVGUIRJF-BDAKNGLRSA-N -1 0 310.310 -0.458 20 0 DBADRM CCn1ncc(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)n1 ZINC001597954341 1017218463 /nfs/dbraw/zinc/21/84/63/1017218463.db2.gz AZKHAJULZHUFLJ-SNVBAGLBSA-N -1 0 310.310 -0.080 20 0 DBADRM CCn1ncc(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1C ZINC001597958743 1017219580 /nfs/dbraw/zinc/21/95/80/1017219580.db2.gz RFVJMTMSADGUSC-JZYVYDRUSA-N -1 0 306.322 -0.061 20 0 DBADRM CCn1nccc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597962672 1017220083 /nfs/dbraw/zinc/22/00/83/1017220083.db2.gz QODMUEASYOXYOB-MNOVXSKESA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1nncc1C(=O)N(C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001597974015 1017222041 /nfs/dbraw/zinc/22/20/41/1017222041.db2.gz LXBLBYBLCPNPIY-BDAKNGLRSA-N -1 0 309.326 -0.793 20 0 DBADRM CCn1nnc(C)c1CN1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597972636 1017222244 /nfs/dbraw/zinc/22/22/44/1017222244.db2.gz DYKUOHFFNHXRCT-NEPJUHHUSA-N -1 0 321.381 -0.030 20 0 DBADRM CCn1nncc1C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001597973802 1017222593 /nfs/dbraw/zinc/22/25/93/1017222593.db2.gz GJZPHLLHFNIOFC-DTWKUNHWSA-N -1 0 310.310 -0.224 20 0 DBADRM CCn1nncc1C(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001597973830 1017222733 /nfs/dbraw/zinc/22/27/33/1017222733.db2.gz HCVYQDMMQACWEV-DTWKUNHWSA-N -1 0 310.310 -0.224 20 0 DBADRM CN(C(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCNC1=O ZINC001597990726 1017223864 /nfs/dbraw/zinc/22/38/64/1017223864.db2.gz SLFSZNDJNFQBJT-SNVBAGLBSA-N -1 0 323.280 -0.191 20 0 DBADRM CN(C(=O)C(=O)NC1CCC(C(=O)[O-])CC1)[C@H]1CCNC1=O ZINC001597982802 1017224657 /nfs/dbraw/zinc/22/46/57/1017224657.db2.gz ONJNUYXBMZORSX-RTBKNWGFSA-N -1 0 311.338 -0.907 20 0 DBADRM CN(C(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@H]1CCNC1=O ZINC001597990724 1017225270 /nfs/dbraw/zinc/22/52/70/1017225270.db2.gz SLFSZNDJNFQBJT-JTQLQIEISA-N -1 0 323.280 -0.191 20 0 DBADRM CN(C(=O)NCCCn1ccc(=O)[nH]c1=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598047036 1017230889 /nfs/dbraw/zinc/23/08/89/1017230889.db2.gz LPPWCJICZLIIEV-AOOOYVTPSA-N -1 0 324.337 -0.156 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)n1 ZINC001598135717 1017237925 /nfs/dbraw/zinc/23/79/25/1017237925.db2.gz XKSLILKHRJMLJA-GDGBQDQQSA-N -1 0 321.337 -0.234 20 0 DBADRM CN(C)c1cccc(CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])c1 ZINC001598335259 1017255981 /nfs/dbraw/zinc/25/59/81/1017255981.db2.gz YVLHUWQTUXNLOY-NSHDSACASA-N -1 0 311.313 -0.092 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1cnc[nH]c1=O ZINC001598478560 1017273745 /nfs/dbraw/zinc/27/37/45/1017273745.db2.gz BDNYAGDQFOWHEI-BDAKNGLRSA-N -1 0 322.321 -0.519 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1nnnn1C ZINC001598476904 1017274090 /nfs/dbraw/zinc/27/40/90/1017274090.db2.gz AMUPPRORSYNXOJ-VHSXEESVSA-N -1 0 310.358 -0.789 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1csnn1 ZINC001598496054 1017289796 /nfs/dbraw/zinc/28/97/96/1017289796.db2.gz VCTUOSKPIAFOKI-UHFFFAOYSA-N -1 0 308.323 -0.368 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1=O ZINC001598555587 1017299767 /nfs/dbraw/zinc/29/97/67/1017299767.db2.gz PUIQQPWYZMNPKM-VGAUDOQQSA-N -1 0 323.349 -0.066 20 0 DBADRM CN1C[C@@H](C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)CC1=O ZINC001598561152 1017302560 /nfs/dbraw/zinc/30/25/60/1017302560.db2.gz ZKTXJGOTMNPUMI-PAPNWUEJSA-N -1 0 310.350 -0.007 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1=O ZINC001598562374 1017304691 /nfs/dbraw/zinc/30/46/91/1017304691.db2.gz KEZQGEVCGAGBLR-KCJUWKMLSA-N -1 0 306.322 -0.732 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C[C@H](O)Cc2ccc(F)cc2)CC1=O ZINC001598562980 1017305282 /nfs/dbraw/zinc/30/52/82/1017305282.db2.gz HTONPKNVECZXFV-OLZOCXBDSA-N -1 0 310.325 -0.044 20 0 DBADRM Cn1nc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c2ccccc21 ZINC001598562380 1017305396 /nfs/dbraw/zinc/30/53/96/1017305396.db2.gz AMEUJMYYCAAQMP-NSHDSACASA-N -1 0 316.317 -0.059 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1=O ZINC001598562370 1017305613 /nfs/dbraw/zinc/30/56/13/1017305613.db2.gz KEZQGEVCGAGBLR-GZMMTYOYSA-N -1 0 306.322 -0.732 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)C[C@H]2CSCCS2)CC1=O ZINC001598563378 1017305863 /nfs/dbraw/zinc/30/58/63/1017305863.db2.gz QDGOGBFEMNXWKR-DTWKUNHWSA-N -1 0 318.420 -0.021 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCCN(C3CC3)C2=O)CC1=O ZINC001598564322 1017307405 /nfs/dbraw/zinc/30/74/05/1017307405.db2.gz XOZRVZOSAXALHG-GHMZBOCLSA-N -1 0 323.349 -0.859 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@H]2CCCc3n[nH]cc32)CC1=O ZINC001598564430 1017307578 /nfs/dbraw/zinc/30/75/78/1017307578.db2.gz YKOPAHRMKODJAP-GZMMTYOYSA-N -1 0 306.322 -0.417 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccnc(C3CC3)n2)CC1=O ZINC001598563989 1017307859 /nfs/dbraw/zinc/30/78/59/1017307859.db2.gz XLCTYOZPSPFHFH-SNVBAGLBSA-N -1 0 304.306 -0.279 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cc(F)c(F)cc2N)CC1=O ZINC001598564229 1017308257 /nfs/dbraw/zinc/30/82/57/1017308257.db2.gz YSZBBSZBQDPNNN-JTQLQIEISA-N -1 0 313.260 -0.086 20 0 DBADRM CNC(=O)[C@@H](CO)NS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001598633532 1017362478 /nfs/dbraw/zinc/36/24/78/1017362478.db2.gz CTXPXXAGFWKLGV-ZCFIWIBFSA-N -1 0 322.364 -0.860 20 0 DBADRM CN1CCC[C@@H](C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])C1=O ZINC001598591678 1017322842 /nfs/dbraw/zinc/32/28/42/1017322842.db2.gz CFFIRORKSJGLOD-IINYFYTJSA-N -1 0 308.338 -0.289 20 0 DBADRM CN1CCC[C@H](C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])C1=O ZINC001598591681 1017323143 /nfs/dbraw/zinc/32/31/43/1017323143.db2.gz CFFIRORKSJGLOD-QMTHXVAHSA-N -1 0 308.338 -0.289 20 0 DBADRM CN1CC[C@@H](n2nnnc2N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1=O ZINC001598588750 1017325209 /nfs/dbraw/zinc/32/52/09/1017325209.db2.gz GIYITEVABKRMIU-HBNTYKKESA-N -1 0 320.353 -0.377 20 0 DBADRM CN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1=O ZINC001598596398 1017328730 /nfs/dbraw/zinc/32/87/30/1017328730.db2.gz LUYDLDZTASHSTG-MRVPVSSYSA-N -1 0 320.305 -0.545 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)[C@@H](C(=O)[O-])c1cccnc1 ZINC001598605265 1017334681 /nfs/dbraw/zinc/33/46/81/1017334681.db2.gz XTIWJXKKJCULRM-CQSZACIVSA-N -1 0 306.366 -0.087 20 0 DBADRM Cn1cc(NC(=O)NCC(=O)N2CCN(C)CC2)cc1C(=O)[O-] ZINC001598608076 1017335315 /nfs/dbraw/zinc/33/53/15/1017335315.db2.gz XPXIUJCMLFRCRA-UHFFFAOYSA-N -1 0 323.353 -0.381 20 0 DBADRM CN1CCN(C(=O)CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001598607883 1017335832 /nfs/dbraw/zinc/33/58/32/1017335832.db2.gz UXNJNFCSZZUPHD-NWDGAFQWSA-N -1 0 311.382 -0.232 20 0 DBADRM CN1CCN(C(=O)CNC(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001598607431 1017338207 /nfs/dbraw/zinc/33/82/07/1017338207.db2.gz OMOXVWBQKQYEEJ-UHFFFAOYSA-N -1 0 319.361 -0.183 20 0 DBADRM CN1CCN(CC(=O)NCCSCCC(=O)[O-])CC1=O ZINC001598615093 1017349484 /nfs/dbraw/zinc/34/94/84/1017349484.db2.gz GQROGNVJHFOMQE-UHFFFAOYSA-N -1 0 303.384 -0.916 20 0 DBADRM CC(=O)NCCN(C(=O)c1c[n-]n2c1nccc2=O)C1CC1 ZINC001497355444 1017349603 /nfs/dbraw/zinc/34/96/03/1017349603.db2.gz DBNRCNGZPZBSIM-UHFFFAOYSA-N -1 0 303.322 -0.237 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])C1 ZINC001598625302 1017354487 /nfs/dbraw/zinc/35/44/87/1017354487.db2.gz JVJTZMBGQPHHGM-UWVGGRQHSA-N -1 0 302.327 -0.961 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)C1=O ZINC001598624164 1017355711 /nfs/dbraw/zinc/35/57/11/1017355711.db2.gz DDUWPIFAUQNOMG-LDYMZIIASA-N -1 0 322.321 -0.610 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)C1 ZINC001598623412 1017355943 /nfs/dbraw/zinc/35/59/43/1017355943.db2.gz GKXOFSXMFUPSPZ-GXSJLCMTSA-N -1 0 310.347 -0.855 20 0 DBADRM CN(C1(C(=O)[O-])CCCC1)S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001598624387 1017356338 /nfs/dbraw/zinc/35/63/38/1017356338.db2.gz WCZICKZRRDTXRG-LLVKDONJSA-N -1 0 320.411 -0.024 20 0 DBADRM CNC(=O)[C@H](C)CN(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598630033 1017357248 /nfs/dbraw/zinc/35/72/48/1017357248.db2.gz GVUGBYZTNTVNDN-ZJUUUORDSA-N -1 0 313.354 -0.850 20 0 DBADRM CNC(=O)[C@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001598631714 1017358053 /nfs/dbraw/zinc/35/80/53/1017358053.db2.gz HSVGKRKECKSTOQ-SECBINFHSA-N -1 0 316.335 -0.922 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001598631091 1017358370 /nfs/dbraw/zinc/35/83/70/1017358370.db2.gz XQIQBOIZBAXRMA-QMMMGPOBSA-N -1 0 324.337 -0.498 20 0 DBADRM CN1CC[C@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])no3)C[C@H]21 ZINC001598626839 1017358638 /nfs/dbraw/zinc/35/86/38/1017358638.db2.gz RDSIRKVMMPGTOV-IONNQARKSA-N -1 0 301.324 -0.303 20 0 DBADRM CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001598629779 1017359741 /nfs/dbraw/zinc/35/97/41/1017359741.db2.gz FDTAFGVNWQFJCY-SSDOTTSWSA-N -1 0 324.337 -0.200 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598630031 1017359965 /nfs/dbraw/zinc/35/99/65/1017359965.db2.gz GVUGBYZTNTVNDN-UWVGGRQHSA-N -1 0 313.354 -0.850 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001598631765 1017360766 /nfs/dbraw/zinc/36/07/66/1017360766.db2.gz BAXMNSFSCLBKFP-OTYXRUKQSA-N -1 0 307.354 -0.076 20 0 DBADRM CNC(=O)[C@@H]1CCCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001598635313 1017360872 /nfs/dbraw/zinc/36/08/72/1017360872.db2.gz JQCOKWRINYNATN-NSHDSACASA-N -1 0 321.333 -0.326 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001598631766 1017361317 /nfs/dbraw/zinc/36/13/17/1017361317.db2.gz BAXMNSFSCLBKFP-XPTSAGLGSA-N -1 0 307.354 -0.076 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001598633560 1017361606 /nfs/dbraw/zinc/36/16/06/1017361606.db2.gz PYFSXWIMXDUUPU-UWVGGRQHSA-N -1 0 319.365 -0.076 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N[C@H](C(=O)[O-])c1ccccn1 ZINC001598632815 1017362161 /nfs/dbraw/zinc/36/21/61/1017362161.db2.gz KEKWQLVQRJLXJX-KWQFWETISA-N -1 0 316.321 -0.452 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001598634916 1017362383 /nfs/dbraw/zinc/36/23/83/1017362383.db2.gz ZXIULSFKDJTXBJ-SSDOTTSWSA-N -1 0 316.335 -0.194 20 0 DBADRM CNC(=O)CC(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001598639772 1017363296 /nfs/dbraw/zinc/36/32/96/1017363296.db2.gz LFLNHGCNECOCCG-UHFFFAOYSA-N -1 0 300.311 -0.431 20 0 DBADRM CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001598638821 1017363608 /nfs/dbraw/zinc/36/36/08/1017363608.db2.gz LXHSIZMOSDIBAH-MRVPVSSYSA-N -1 0 313.335 -0.464 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001598639147 1017364262 /nfs/dbraw/zinc/36/42/62/1017364262.db2.gz KNUNECPOJLBUCK-SNVBAGLBSA-N -1 0 322.321 -0.820 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)c2c(C)[nH]c(C(=O)[O-])c2C)CCO1 ZINC001598637842 1017364389 /nfs/dbraw/zinc/36/43/89/1017364389.db2.gz QNHKQYYTIORKLC-VIFPVBQESA-N -1 0 309.322 -0.083 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001598641606 1017364480 /nfs/dbraw/zinc/36/44/80/1017364480.db2.gz ILGAUEIELOAZSJ-UHFFFAOYSA-N -1 0 313.354 -0.612 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001598642359 1017365617 /nfs/dbraw/zinc/36/56/17/1017365617.db2.gz IGSSOGQZYYKXLC-UHFFFAOYSA-N -1 0 320.349 -0.280 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001598643237 1017366033 /nfs/dbraw/zinc/36/60/33/1017366033.db2.gz ISZJWWJWGBFPTJ-UHFFFAOYSA-N -1 0 301.324 -0.497 20 0 DBADRM CNC(=O)CNC(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001598645546 1017366118 /nfs/dbraw/zinc/36/61/18/1017366118.db2.gz XRTNDWJLYUCHEV-UHFFFAOYSA-N -1 0 318.293 -0.167 20 0 DBADRM CNC(=O)CCCN(C)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598643051 1017366780 /nfs/dbraw/zinc/36/67/80/1017366780.db2.gz XDYSXVZHKRZKNV-UHFFFAOYSA-N -1 0 322.321 -0.297 20 0 DBADRM CNC(=O)NCC(=O)NCCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001598651923 1017368345 /nfs/dbraw/zinc/36/83/45/1017368345.db2.gz NKQBDIBQXNKKGM-UHFFFAOYSA-N -1 0 324.341 -0.954 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)C[C@@H](C)CC(=O)[O-])CCO1 ZINC001598651614 1017368662 /nfs/dbraw/zinc/36/86/62/1017368662.db2.gz KFYDDKSZLDKXNQ-ZJUUUORDSA-N -1 0 301.343 -0.356 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=S)NCCCC(=O)[O-])CCO1 ZINC001598651398 1017369210 /nfs/dbraw/zinc/36/92/10/1017369210.db2.gz JOYVKGLQDLDHLS-SECBINFHSA-N -1 0 318.399 -0.645 20 0 DBADRM CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001598651967 1017369532 /nfs/dbraw/zinc/36/95/32/1017369532.db2.gz NQLWICQFLDLAPU-JGVFFNPUSA-N -1 0 324.341 -0.591 20 0 DBADRM CNC(=O)NCC(=O)N(C)CCCNc1ncc(C(=O)[O-])cn1 ZINC001598652142 1017369838 /nfs/dbraw/zinc/36/98/38/1017369838.db2.gz OXWSKBXJMGPSHL-UHFFFAOYSA-N -1 0 324.341 -0.636 20 0 DBADRM CNC(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001598651973 1017369871 /nfs/dbraw/zinc/36/98/71/1017369871.db2.gz NQLWICQFLDLAPU-YUMQZZPRSA-N -1 0 324.341 -0.591 20 0 DBADRM CNC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001598650737 1017370220 /nfs/dbraw/zinc/37/02/20/1017370220.db2.gz DMSODPAMCSONBE-DTORHVGOSA-N -1 0 322.325 -0.837 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC001598655660 1017371268 /nfs/dbraw/zinc/37/12/68/1017371268.db2.gz FETRBAWYVLVDHX-ZETCQYMHSA-N -1 0 323.305 -0.417 20 0 DBADRM CNC(=O)N[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])nn2C)C1 ZINC001598653671 1017372099 /nfs/dbraw/zinc/37/20/99/1017372099.db2.gz XRBBMPXUBRTLQS-MRVPVSSYSA-N -1 0 309.326 -0.348 20 0 DBADRM CNC(=O)NC1CCN(C(=O)c2cc(C(=O)[O-])nn2C)CC1 ZINC001598652633 1017372386 /nfs/dbraw/zinc/37/23/86/1017372386.db2.gz JKPDIYJJLYZFBT-UHFFFAOYSA-N -1 0 309.326 -0.348 20 0 DBADRM CNC(=O)NC1CCN([C@@H](CCC(=O)[O-])C(=O)OC)CC1 ZINC001598652630 1017372962 /nfs/dbraw/zinc/37/29/62/1017372962.db2.gz JIEICSMHWNERNZ-JTQLQIEISA-N -1 0 301.343 -0.214 20 0 DBADRM CNC(=O)N1CCN([C@H]2CCCN(CCC(=O)[O-])C2=O)CC1 ZINC001598652486 1017373033 /nfs/dbraw/zinc/37/30/33/1017373033.db2.gz SEGBFMDHBYPNFA-NSHDSACASA-N -1 0 312.370 -0.591 20 0 DBADRM CNC(=O)c1cccc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])n1 ZINC001598659569 1017374196 /nfs/dbraw/zinc/37/41/96/1017374196.db2.gz SDNXIOWAGLKCPY-ZETCQYMHSA-N -1 0 309.278 -0.813 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)NCCOCC(=O)[O-])c1 ZINC001598660686 1017375834 /nfs/dbraw/zinc/37/58/34/1017375834.db2.gz PYDQNOFXMUGIOW-UHFFFAOYSA-N -1 0 309.322 -0.053 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001598668773 1017379152 /nfs/dbraw/zinc/37/91/52/1017379152.db2.gz BVMZZBIIMOETQC-DTORHVGOSA-N -1 0 304.368 -0.363 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC001598670041 1017379199 /nfs/dbraw/zinc/37/91/99/1017379199.db2.gz WXBWZUUXZMJFCE-VHSXEESVSA-N -1 0 320.367 -0.841 20 0 DBADRM CNS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)[O-])CC1 ZINC001598672261 1017383165 /nfs/dbraw/zinc/38/31/65/1017383165.db2.gz VAPNQKUEOAFJAY-UHFFFAOYSA-N -1 0 321.399 -0.514 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(c2ccc(C(=O)[O-])c(OC)n2)C1 ZINC001598669869 1017380573 /nfs/dbraw/zinc/38/05/73/1017380573.db2.gz TVGVHSMXZAIYIR-MRVPVSSYSA-N -1 0 315.351 -0.084 20 0 DBADRM CNS(=O)(=O)CC(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001598670092 1017380947 /nfs/dbraw/zinc/38/09/47/1017380947.db2.gz YCVSJNDDANGMOX-UHFFFAOYSA-N -1 0 307.353 -0.951 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1scc(C(=O)[O-])c1C ZINC001598670664 1017381123 /nfs/dbraw/zinc/38/11/23/1017381123.db2.gz HRPUHFWGVVTUJC-UHFFFAOYSA-N -1 0 307.353 -0.253 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1c1cncc(C(=O)[O-])n1 ZINC001598670910 1017381876 /nfs/dbraw/zinc/38/18/76/1017381876.db2.gz LCMMAFCCIMEGTA-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)NCC(=O)N(CC(=O)[O-])c1ccccc1 ZINC001598670990 1017382058 /nfs/dbraw/zinc/38/20/58/1017382058.db2.gz LKEVTXRQTBTNHC-UHFFFAOYSA-N -1 0 301.324 -0.842 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N[C@H](C)CC(=O)[O-])CC1 ZINC001598671041 1017382208 /nfs/dbraw/zinc/38/22/08/1017382208.db2.gz ICIXGVOWSLCKPA-MRVPVSSYSA-N -1 0 307.372 -0.858 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)OCCCCC(=O)[O-])CC1 ZINC001598671864 1017382323 /nfs/dbraw/zinc/38/23/23/1017382323.db2.gz RDVRNEIHIXIGIN-UHFFFAOYSA-N -1 0 322.383 -0.039 20 0 DBADRM CNS(=O)(=O)NC[C@@H](Cc1ccccc1OC)C(=O)[O-] ZINC001598671894 1017382483 /nfs/dbraw/zinc/38/24/83/1017382483.db2.gz VQHLLQPENBBIRU-SNVBAGLBSA-N -1 0 302.352 -0.008 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)NCC(C)(C)C(=O)[O-])CC1 ZINC001598672299 1017382571 /nfs/dbraw/zinc/38/25/71/1017382571.db2.gz WKYDZXYDFKFVSC-UHFFFAOYSA-N -1 0 321.399 -0.610 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N[C@@H](C)/C=C/C(=O)[O-])CC1 ZINC001598671031 1017382792 /nfs/dbraw/zinc/38/27/92/1017382792.db2.gz ICIBBCKAHSTTBS-NWALNABHSA-N -1 0 319.383 -0.692 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001598670947 1017382910 /nfs/dbraw/zinc/38/29/10/1017382910.db2.gz KOYRPMOTBDLTJS-UHFFFAOYSA-N -1 0 317.323 -0.858 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001598671191 1017383874 /nfs/dbraw/zinc/38/38/74/1017383874.db2.gz NYLXOMWVLQYEHM-MRVPVSSYSA-N -1 0 307.353 -0.956 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCC[C@H](O)C(=O)[O-])cc1 ZINC001598672759 1017385176 /nfs/dbraw/zinc/38/51/76/1017385176.db2.gz DFNRNQOQRONHOW-JTQLQIEISA-N -1 0 316.335 -0.840 20 0 DBADRM CNc1cnc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])cn1 ZINC001598679296 1017385360 /nfs/dbraw/zinc/38/53/60/1017385360.db2.gz DCVGYHRDELHFIB-VIFPVBQESA-N -1 0 323.353 -0.136 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)OCC(=O)[O-])ccc1OC ZINC001598674639 1017385438 /nfs/dbraw/zinc/38/54/38/1017385438.db2.gz SWLMEGBEOMUEKV-UHFFFAOYSA-N -1 0 303.292 -0.155 20 0 DBADRM CNc1nc(C)ccc1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001598680820 1017385887 /nfs/dbraw/zinc/38/58/87/1017385887.db2.gz APXIIFMGAYFBFF-JTQLQIEISA-N -1 0 306.322 -0.201 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])o1 ZINC001598673388 1017386032 /nfs/dbraw/zinc/38/60/32/1017386032.db2.gz YLSBPOJYCIBKIX-RNFRBKRXSA-N -1 0 302.308 -0.362 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC001598677092 1017386406 /nfs/dbraw/zinc/38/64/06/1017386406.db2.gz SUVNHRXNWDZKEU-GDNZZTSVSA-N -1 0 324.358 -0.003 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)C(=O)[O-])c1 ZINC001598677528 1017386748 /nfs/dbraw/zinc/38/67/48/1017386748.db2.gz YUJDHYQYOKCTMG-SSDOTTSWSA-N -1 0 315.303 -0.206 20 0 DBADRM COC(=O)[C@@](C)(CO)NCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001598686937 1017387692 /nfs/dbraw/zinc/38/76/92/1017387692.db2.gz JSCHDZIHIJCSNI-CYBMUJFWSA-N -1 0 316.354 -0.596 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001598689482 1017387786 /nfs/dbraw/zinc/38/77/86/1017387786.db2.gz YTIIFAQBKVXZGO-IWSPIJDZSA-N -1 0 309.340 -0.795 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)Cc1noc(CCC(=O)[O-])n1 ZINC001598688724 1017388038 /nfs/dbraw/zinc/38/80/38/1017388038.db2.gz RGMDANOLVNUBKU-SSDOTTSWSA-N -1 0 320.323 -0.189 20 0 DBADRM CNc1nnc(CC(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)s1 ZINC001598682434 1017388498 /nfs/dbraw/zinc/38/84/98/1017388498.db2.gz JVNQEUREFGCFEI-HTQZYQBOSA-N -1 0 314.367 -0.024 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001598688525 1017388534 /nfs/dbraw/zinc/38/85/34/1017388534.db2.gz QSDNOBMKMCOATO-XBWDGYHZSA-N -1 0 305.352 -0.032 20 0 DBADRM COC(=O)/C(C)=C/COC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598689626 1017388583 /nfs/dbraw/zinc/38/85/83/1017388583.db2.gz WNRFZAZQUKYILQ-NAZIUFLLSA-N -1 0 313.306 -0.028 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCCCCC1 ZINC001598693728 1017389784 /nfs/dbraw/zinc/38/97/84/1017389784.db2.gz GFWRBFLULFINIV-SECBINFHSA-N -1 0 308.356 -0.287 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc(Br)n[nH]1 ZINC001598691847 1017390468 /nfs/dbraw/zinc/39/04/68/1017390468.db2.gz AADKEFBACFUZRA-RXMQYKEDSA-N -1 0 320.099 -0.082 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cnc(C2CC2)nc1N ZINC001598695603 1017392440 /nfs/dbraw/zinc/39/24/40/1017392440.db2.gz WUZDUBNZCJPDKF-QMMMGPOBSA-N -1 0 308.294 -0.318 20 0 DBADRM COC(=O)[C@@H](CCF)NS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001598699345 1017392692 /nfs/dbraw/zinc/39/26/92/1017392692.db2.gz PKZYSUIZCSOWQX-SSDOTTSWSA-N -1 0 320.298 -0.041 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CCC[C@H](NS(C)(=O)=O)C1 ZINC001598696651 1017393127 /nfs/dbraw/zinc/39/31/27/1017393127.db2.gz AYUAZOKTLKYZEF-UWVGGRQHSA-N -1 0 322.383 -0.594 20 0 DBADRM COC(=O)[C@@H](CF)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598698596 1017393157 /nfs/dbraw/zinc/39/31/57/1017393157.db2.gz KSHPKPKRRBTRFE-MRVPVSSYSA-N -1 0 306.271 -0.431 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CCN(CC[S@@](C)=O)CC1 ZINC001598696945 1017393554 /nfs/dbraw/zinc/39/35/54/1017393554.db2.gz CIWQYLZPRLMFJN-WIUDPPPLSA-N -1 0 320.411 -0.611 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)C[C@H](C)CC(=O)[O-] ZINC001598698005 1017393636 /nfs/dbraw/zinc/39/36/36/1017393636.db2.gz QPRFGEVCLBRJRM-DTWKUNHWSA-N -1 0 303.311 -0.092 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001598697221 1017393865 /nfs/dbraw/zinc/39/38/65/1017393865.db2.gz FKMQSGIWJZDORY-AXFHLTTASA-N -1 0 319.379 -0.241 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC001598696650 1017394173 /nfs/dbraw/zinc/39/41/73/1017394173.db2.gz AYUAZOKTLKYZEF-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM COC(=O)[C@@]1(C(=O)NC[C@H](O)C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598717125 1017396039 /nfs/dbraw/zinc/39/60/39/1017396039.db2.gz ZIWJPTLUFBFYQV-ZETOZRRWSA-N -1 0 307.302 -0.105 20 0 DBADRM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CC[C@@](O)(C(N)=O)C1 ZINC001598713755 1017396567 /nfs/dbraw/zinc/39/65/67/1017396567.db2.gz RESLSKZNGQUTJI-NHYWBVRUSA-N -1 0 322.317 -0.479 20 0 DBADRM COC(=O)[C@@H](OC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C1CC1 ZINC001598711507 1017396795 /nfs/dbraw/zinc/39/67/95/1017396795.db2.gz HXTUMVYPPRJIGN-ONGXEEELSA-N -1 0 313.306 -0.196 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001497502113 1017397880 /nfs/dbraw/zinc/39/78/80/1017397880.db2.gz DFEPBXWIVZFKLG-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM COC(=O)[C@]1(F)CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001598721298 1017398340 /nfs/dbraw/zinc/39/83/40/1017398340.db2.gz TYUCEMHEZZHSKC-RNCFNFMXSA-N -1 0 302.302 -0.351 20 0 DBADRM COC(=O)C1(NC(=O)/C(C)=C\C(=O)NC2(C(=O)[O-])CC2)CC1 ZINC001598721395 1017398364 /nfs/dbraw/zinc/39/83/64/1017398364.db2.gz HQUTZMYFHYRCAJ-FPLPWBNLSA-N -1 0 310.306 -0.512 20 0 DBADRM COC(=O)[C@@]1(C)C[C@H](OC)CN1CCC(=O)N(C)CC(=O)[O-] ZINC001598719372 1017398807 /nfs/dbraw/zinc/39/88/07/1017398807.db2.gz XYQIUFSZQUXMBF-IINYFYTJSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)C1(O)CN(C(=O)Nc2cc(C)c(C(=O)[O-])cn2)C1 ZINC001598723837 1017398873 /nfs/dbraw/zinc/39/88/73/1017398873.db2.gz CUBLUEPSWYLBOQ-UHFFFAOYSA-N -1 0 309.278 -0.160 20 0 DBADRM COC(=O)C1(CNC(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC001598720219 1017399137 /nfs/dbraw/zinc/39/91/37/1017399137.db2.gz JDMIOGJJIZPRSC-UHFFFAOYSA-N -1 0 323.305 -0.269 20 0 DBADRM COC(=O)C1(NC(=O)/C(C)=C/C(=O)NC2(C(=O)[O-])CC2)CC1 ZINC001598721394 1017399204 /nfs/dbraw/zinc/39/92/04/1017399204.db2.gz HQUTZMYFHYRCAJ-BQYQJAHWSA-N -1 0 310.306 -0.512 20 0 DBADRM COC(=O)C1(NC(=O)/C=C(/C)C(=O)NC2(C(=O)[O-])CC2)CC1 ZINC001598721575 1017399659 /nfs/dbraw/zinc/39/96/59/1017399659.db2.gz IMXLNGOSIUEBJZ-FPLPWBNLSA-N -1 0 310.306 -0.512 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])CC1 ZINC001598720080 1017399904 /nfs/dbraw/zinc/39/99/04/1017399904.db2.gz PKFQXXNDANHXFN-RKDXNWHRSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)[C@@]1(N2CCN(C/C=C(/C)C(=O)[O-])CC2)CCOC1 ZINC001598721990 1017400067 /nfs/dbraw/zinc/40/00/67/1017400067.db2.gz NRMWHXZAMUFDCP-GLDPUFHNSA-N -1 0 312.366 -0.033 20 0 DBADRM COC(=O)C1(NC(=O)CCC(N)=O)CCC(C(=O)[O-])CC1 ZINC001598721686 1017400101 /nfs/dbraw/zinc/40/01/01/1017400101.db2.gz AVMHQQOMPSUESU-UHFFFAOYSA-N -1 0 300.311 -0.445 20 0 DBADRM COC(=O)[C@@]1(OC)CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598725192 1017401070 /nfs/dbraw/zinc/40/10/70/1017401070.db2.gz CLHVDOYSLSRCCY-JRKPZEMJSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)C1(O)CCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC001598725474 1017401101 /nfs/dbraw/zinc/40/11/01/1017401101.db2.gz YFFFUKPVHONQRC-UHFFFAOYSA-N -1 0 308.290 -0.080 20 0 DBADRM COC(=O)[C@@]1(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])CCOC1 ZINC001598727324 1017401188 /nfs/dbraw/zinc/40/11/88/1017401188.db2.gz QTODPQHKSRORDQ-LDYMZIIASA-N -1 0 309.340 -0.794 20 0 DBADRM COC(=O)[C@@]1(NCC(=O)N2CCC(C(=O)[O-])CC2)CCOC1 ZINC001598725634 1017401649 /nfs/dbraw/zinc/40/16/49/1017401649.db2.gz MVDHAKVFQAPOQZ-CQSZACIVSA-N -1 0 314.338 -0.769 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1 ZINC001598725434 1017402270 /nfs/dbraw/zinc/40/22/70/1017402270.db2.gz WYLPDGQNKNYMTF-IMSIIYSGSA-N -1 0 315.322 -0.465 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H](C)S(C)(=O)=O ZINC001598741764 1017403374 /nfs/dbraw/zinc/40/33/74/1017403374.db2.gz INTFCXZCCCJUEK-YIZRAAEISA-N -1 0 321.351 -0.716 20 0 DBADRM COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001598743849 1017403384 /nfs/dbraw/zinc/40/33/84/1017403384.db2.gz NRNRNYVSNGGJPB-WCQYABFASA-N -1 0 322.317 -0.153 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCC1CC1 ZINC001598744324 1017403646 /nfs/dbraw/zinc/40/36/46/1017403646.db2.gz OQSOYGFJNCUFFV-NXEZZACHSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC001598744213 1017403788 /nfs/dbraw/zinc/40/37/88/1017403788.db2.gz NVOAILDCJZYFJL-WDEREUQCSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1S(=O)(=O)CCCC(=O)[O-] ZINC001598745003 1017403814 /nfs/dbraw/zinc/40/38/14/1017403814.db2.gz RDIYVXFCYOWYTA-WPRPVWTQSA-N -1 0 309.340 -0.821 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@H](C)S(C)(=O)=O ZINC001598741761 1017404065 /nfs/dbraw/zinc/40/40/65/1017404065.db2.gz INTFCXZCCCJUEK-CIUDSAMLSA-N -1 0 321.351 -0.716 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cccc[n+]1[O-] ZINC001598749333 1017404807 /nfs/dbraw/zinc/40/48/07/1017404807.db2.gz DZUHQCMCKZAUKM-GXSJLCMTSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1[C@H](O)CCCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598745177 1017405272 /nfs/dbraw/zinc/40/52/72/1017405272.db2.gz RSBUFKGZHDUGGR-RKDXNWHRSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cccn(C)c1=O ZINC001598750094 1017405311 /nfs/dbraw/zinc/40/53/11/1017405311.db2.gz IPJBUMURQHUSOU-KOLCDFICSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1CC(=O)N(CN2CCOC[C@@H]2CC(=O)[O-])C1 ZINC001598745169 1017405405 /nfs/dbraw/zinc/40/54/05/1017405405.db2.gz RRPWJAWKFPMTDR-UWVGGRQHSA-N -1 0 300.311 -0.859 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cnn(C)c1N ZINC001598750037 1017405474 /nfs/dbraw/zinc/40/54/74/1017405474.db2.gz HWJYJDIFRCZUBK-APPZFPTMSA-N -1 0 310.310 -0.519 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@@H](O)CCSC ZINC001598749549 1017405605 /nfs/dbraw/zinc/40/56/05/1017405605.db2.gz LZWFHRHXOQBTFL-GUBZILKMSA-N -1 0 319.379 -0.035 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCc1cnn(C)n1 ZINC001598747859 1017405897 /nfs/dbraw/zinc/40/58/97/1017405897.db2.gz CCWLZPAAPNLMJN-KOLCDFICSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@H]1CN(C)CCO1 ZINC001598749273 1017405911 /nfs/dbraw/zinc/40/59/11/1017405911.db2.gz KXSROMPDHASCTB-GARJFASQSA-N -1 0 314.338 -0.818 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(S(=O)(=O)C2COC2)C1 ZINC001598783365 1017416712 /nfs/dbraw/zinc/41/67/12/1017416712.db2.gz CBZDTPHYQZIQCD-IONNQARKSA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN1Cc1noc(CCCC(=O)[O-])n1 ZINC001598757985 1017407762 /nfs/dbraw/zinc/40/77/62/1017407762.db2.gz RJQHBPJZBIGNIS-IUCAKERBSA-N -1 0 313.310 -0.415 20 0 DBADRM COC(=O)C1CC(NC(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)C1 ZINC001598757576 1017407996 /nfs/dbraw/zinc/40/79/96/1017407996.db2.gz PLUQRKLTHWLTIV-SEZDTBSWSA-N -1 0 300.311 -0.179 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cn(C)ccc1=O ZINC001598754309 1017408186 /nfs/dbraw/zinc/40/81/86/1017408186.db2.gz SEBTZIZRHQZKAC-GXSJLCMTSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1cncn1C ZINC001598767515 1017409220 /nfs/dbraw/zinc/40/92/20/1017409220.db2.gz NIOIUMUEUGAAFB-GXSJLCMTSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C[C@H](O)Cn1cccn1 ZINC001598766685 1017409393 /nfs/dbraw/zinc/40/93/93/1017409393.db2.gz GPWAFQSKFSHOON-SRVKXCTJSA-N -1 0 311.338 -0.418 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cnn(C)c1N ZINC001598765267 1017409741 /nfs/dbraw/zinc/40/97/41/1017409741.db2.gz ALIJTAASZCKJRJ-CBAPKCEASA-N -1 0 310.310 -0.519 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccn(C)c(=O)c1 ZINC001598765633 1017409778 /nfs/dbraw/zinc/40/97/78/1017409778.db2.gz AYGLAWTXVKOWFQ-WDEREUQCSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1cn(C)nn1 ZINC001598765850 1017410135 /nfs/dbraw/zinc/41/01/35/1017410135.db2.gz JQQSGSGCMCKJSN-GXSJLCMTSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc[n+]([O-])c1 ZINC001598766171 1017410330 /nfs/dbraw/zinc/41/03/30/1017410330.db2.gz CJHQQCCGKRHLLE-MNOVXSKESA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1C[C@@H](OC)CCN1CCC(=O)N(C)CC(=O)[O-] ZINC001598767735 1017410568 /nfs/dbraw/zinc/41/05/68/1017410568.db2.gz YAKIXUAWVNYLSO-WDEREUQCSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1coc(C(N)=O)c1 ZINC001598769584 1017411252 /nfs/dbraw/zinc/41/12/52/1017411252.db2.gz NEDAEGZEBIHZMN-VXNVDRBHSA-N -1 0 324.289 -0.143 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C[C@@H]1CN(C)C(=O)O1 ZINC001598771940 1017412235 /nfs/dbraw/zinc/41/22/35/1017412235.db2.gz TVODBQVUXWQABF-UTLUCORTSA-N -1 0 300.311 -0.225 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cn1nccc1N ZINC001598769874 1017412281 /nfs/dbraw/zinc/41/22/81/1017412281.db2.gz UVFNVRJHKMICTL-DTWKUNHWSA-N -1 0 310.310 -0.670 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(=O)n(C)cn1 ZINC001598768819 1017412707 /nfs/dbraw/zinc/41/27/07/1017412707.db2.gz SKKZJVGBLXPLNF-WCBMZHEXSA-N -1 0 323.305 -0.741 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cncc(OC)n2)C1 ZINC001598773438 1017412762 /nfs/dbraw/zinc/41/27/62/1017412762.db2.gz AJLKEHIUDQXABK-PSASIEDQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001598776718 1017413952 /nfs/dbraw/zinc/41/39/52/1017413952.db2.gz JKAAMKAZVPXXSU-VXNVDRBHSA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Cn2nccc2N)C1 ZINC001598774010 1017414404 /nfs/dbraw/zinc/41/44/04/1017414404.db2.gz OXVWJUPRJRMLJU-RKDXNWHRSA-N -1 0 310.310 -0.670 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cncc(OC)n1 ZINC001598774323 1017414937 /nfs/dbraw/zinc/41/49/37/1017414937.db2.gz ZBVYMPFXIZZBOL-SCZZXKLOSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2coc(C(N)=O)c2)C1 ZINC001598773551 1017414969 /nfs/dbraw/zinc/41/49/69/1017414969.db2.gz AWGPGLBQGAQJOK-VXNVDRBHSA-N -1 0 324.289 -0.143 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)CCCC(N)=O)C1 ZINC001598774799 1017414998 /nfs/dbraw/zinc/41/49/98/1017414998.db2.gz LHYNCUBGKSSEPA-DTWKUNHWSA-N -1 0 300.311 -0.493 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2ccn(C)n2)C1 ZINC001598779983 1017416237 /nfs/dbraw/zinc/41/62/37/1017416237.db2.gz XWZXNWGRGHVXEU-GXSJLCMTSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)OC)CN1C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598783247 1017416278 /nfs/dbraw/zinc/41/62/78/1017416278.db2.gz BOHIJIUTZGTPPE-AXTSPUMRSA-N -1 0 313.306 -0.340 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598783249 1017416945 /nfs/dbraw/zinc/41/69/45/1017416945.db2.gz BOHIJIUTZGTPPE-QEYWKRMJSA-N -1 0 313.306 -0.340 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001598782526 1017416955 /nfs/dbraw/zinc/41/69/55/1017416955.db2.gz QDNWSLJADNSPAX-YIZRAAEISA-N -1 0 321.351 -0.716 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(CC(=O)Nc2ccon2)C1 ZINC001598780679 1017417105 /nfs/dbraw/zinc/41/71/05/1017417105.db2.gz UOPTYAQLUDMRBG-IUCAKERBSA-N -1 0 311.294 -0.049 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2nnn(C)c2C)C1 ZINC001598779840 1017417226 /nfs/dbraw/zinc/41/72/26/1017417226.db2.gz QBNFNIQPNNFXQW-IUCAKERBSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C(=O)c2cnn(C)c2)C1 ZINC001598780791 1017417742 /nfs/dbraw/zinc/41/77/42/1017417742.db2.gz LAZYDAKIGUBJIK-PSASIEDQSA-N -1 0 323.305 -0.532 20 0 DBADRM COC(=O)C1CCC(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)CC1 ZINC001598786817 1017417779 /nfs/dbraw/zinc/41/77/79/1017417779.db2.gz FBDFGNCBYZZDEJ-UHFFFAOYSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(CC(=O)Nc2ccon2)C1 ZINC001598780675 1017417935 /nfs/dbraw/zinc/41/79/35/1017417935.db2.gz UOPTYAQLUDMRBG-BDAKNGLRSA-N -1 0 311.294 -0.049 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cnn(C)c2N)C1 ZINC001598780880 1017417953 /nfs/dbraw/zinc/41/79/53/1017417953.db2.gz SPSVSINCQVBPBX-IONNQARKSA-N -1 0 310.310 -0.519 20 0 DBADRM COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])C1 ZINC001598791288 1017418753 /nfs/dbraw/zinc/41/87/53/1017418753.db2.gz OWLNYBPWZYCNBP-AXFHLTTASA-N -1 0 324.337 -0.173 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H](C)S(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC001598788987 1017419283 /nfs/dbraw/zinc/41/92/83/1017419283.db2.gz JDPAGBMVIBWLEA-HLTSFMKQSA-N -1 0 321.351 -0.716 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C[C@H](C)NC(N)=O)[C@H](C(=O)[O-])C1 ZINC001598791934 1017419297 /nfs/dbraw/zinc/41/92/97/1017419297.db2.gz KYBTTXQTYQBJMT-YIZRAAEISA-N -1 0 315.326 -0.702 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H](O)c2ccccn2)[C@H](C(=O)[O-])C1 ZINC001598790698 1017419355 /nfs/dbraw/zinc/41/93/55/1017419355.db2.gz RCMGWIGUDQVQRI-ADEWGFFLSA-N -1 0 322.317 -0.020 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)c1cc[nH]c(=O)c1 ZINC001497555852 1017419501 /nfs/dbraw/zinc/41/95/01/1017419501.db2.gz CMZLOEZMODIVDP-UPHRSURJSA-N -1 0 304.310 -0.313 20 0 DBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001598787936 1017419559 /nfs/dbraw/zinc/41/95/59/1017419559.db2.gz MKKMSKRSNJFUAC-DTWKUNHWSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@H](C(=O)[O-])C1 ZINC001598796129 1017421312 /nfs/dbraw/zinc/42/13/12/1017421312.db2.gz SCAPQYXCXDDNJJ-KOLCDFICSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)[C@H]1[C@H](C(=O)N2CC[C@H]2C(=O)[O-])[C@@H]1C ZINC001598801967 1017421481 /nfs/dbraw/zinc/42/14/81/1017421481.db2.gz ASOGBAKMYSNXHV-LADJIXMOSA-N -1 0 324.333 -0.672 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)[C@@H](C(=O)[O-])C1 ZINC001598798919 1017421662 /nfs/dbraw/zinc/42/16/62/1017421662.db2.gz RTTIJCXRDCFAOF-IVZWLZJFSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cccc[n+]2[O-])[C@H](C(=O)[O-])C1 ZINC001598793887 1017422164 /nfs/dbraw/zinc/42/21/64/1017422164.db2.gz IQHHXTNRWQULPV-ONGXEEELSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CSC(=O)N2)[C@H](C(=O)[O-])C1 ZINC001598795539 1017422223 /nfs/dbraw/zinc/42/22/23/1017422223.db2.gz YELZZCRCDAWOMH-CSMHCCOUSA-N -1 0 316.335 -0.324 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)C[C@H]1C(=O)[O-] ZINC001598802233 1017424103 /nfs/dbraw/zinc/42/41/03/1017424103.db2.gz BORUXXHQPCOILY-IVZWLZJFSA-N -1 0 312.322 -0.813 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2CC=CCC2)C[C@H]1C(=O)[O-] ZINC001598802599 1017424134 /nfs/dbraw/zinc/42/41/34/1017424134.db2.gz FSLJDJCXNVRFOE-ZJUUUORDSA-N -1 0 310.306 -0.893 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N(C)CC(C)C)C[C@@H]1C(=O)[O-] ZINC001598802982 1017424268 /nfs/dbraw/zinc/42/42/68/1017424268.db2.gz HYSCADFTYUTLSS-UWVGGRQHSA-N -1 0 314.338 -0.567 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCC[C@@H](C)OC)C[C@@H]1C(=O)[O-] ZINC001598806849 1017424366 /nfs/dbraw/zinc/42/43/66/1017424366.db2.gz GEPMANAXRJEVOS-KXUCPTDWSA-N -1 0 302.327 -0.073 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](C)Cc2cnn(C)c2)C[C@H]1C(=O)[O-] ZINC001598802863 1017424659 /nfs/dbraw/zinc/42/46/59/1017424659.db2.gz GSNRBGQHBZMNCC-MVWJERBFSA-N -1 0 323.349 -0.069 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](C)c2cnccn2)C[C@@H]1C(=O)[O-] ZINC001598807351 1017426154 /nfs/dbraw/zinc/42/61/54/1017426154.db2.gz MCILLSANKJMTNM-LPEHRKFASA-N -1 0 307.306 -0.088 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CN2CCSC2=O)C[C@@H]1C(=O)[O-] ZINC001598807913 1017426362 /nfs/dbraw/zinc/42/63/62/1017426362.db2.gz CDKOJKQSXRYLNJ-YUMQZZPRSA-N -1 0 316.335 -0.513 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCC2CSC2)C[C@@H]1C(=O)[O-] ZINC001598810126 1017426584 /nfs/dbraw/zinc/42/65/84/1017426584.db2.gz RYAGURIAORYTHQ-DTWKUNHWSA-N -1 0 302.352 -0.135 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CN2CCSC2=O)C[C@@H]1C(=O)[O-] ZINC001598807910 1017426596 /nfs/dbraw/zinc/42/65/96/1017426596.db2.gz CDKOJKQSXRYLNJ-JGVFFNPUSA-N -1 0 316.335 -0.513 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001598808278 1017426660 /nfs/dbraw/zinc/42/66/60/1017426660.db2.gz DOIFVEWPRUNRDN-OPRDCNLKSA-N -1 0 301.295 -0.876 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)C[C@@H]1C(=O)[O-] ZINC001598807636 1017426696 /nfs/dbraw/zinc/42/66/96/1017426696.db2.gz MKVYRBGIYVVSJZ-HPENLJRUSA-N -1 0 309.318 -0.066 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCc2nc(C)no2)C[C@H]1C(=O)[O-] ZINC001598809688 1017426868 /nfs/dbraw/zinc/42/68/68/1017426868.db2.gz IXKVMXGZKXAZSQ-BDAKNGLRSA-N -1 0 311.294 -0.357 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCCn2cccn2)C[C@@H]1C(=O)[O-] ZINC001598809759 1017426929 /nfs/dbraw/zinc/42/69/29/1017426929.db2.gz RDBSBRZXCHGYNJ-QWRGUYRKSA-N -1 0 324.337 -0.212 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCCNC(C)=O)C[C@H]1C(=O)[O-] ZINC001598808038 1017427022 /nfs/dbraw/zinc/42/70/22/1017427022.db2.gz KMQBKICWXQZMHE-NXEZZACHSA-N -1 0 315.326 -0.972 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCn2cccn2)C[C@@H]1C(=O)[O-] ZINC001598808099 1017427054 /nfs/dbraw/zinc/42/70/54/1017427054.db2.gz LEWHRJLJNNHLCC-UWVGGRQHSA-N -1 0 310.310 -0.602 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H]1C(=O)[O-] ZINC001598810484 1017427186 /nfs/dbraw/zinc/42/71/86/1017427186.db2.gz LFMOOHWBHGHMBP-WDEREUQCSA-N -1 0 309.322 -0.315 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCc3c[nH]nc3C2)C[C@H]1C(=O)[O-] ZINC001598810291 1017427238 /nfs/dbraw/zinc/42/72/38/1017427238.db2.gz VYMRMYHTJKMARE-JMJZKYOTSA-N -1 0 321.333 -0.153 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cc2nnc(C3CC3)[nH]2)C[C@@H]1C(=O)[O-] ZINC001598808855 1017427290 /nfs/dbraw/zinc/42/72/90/1017427290.db2.gz OUMLOZHWPFYLBC-IUCAKERBSA-N -1 0 322.321 -0.443 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2c3c(nn2C)CCC3)C[C@@H]1C(=O)[O-] ZINC001598812693 1017428373 /nfs/dbraw/zinc/42/83/73/1017428373.db2.gz DNNVNKUENQUWRW-VHSXEESVSA-N -1 0 321.333 -0.145 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCC2=CCCOC2)C[C@H]1C(=O)[O-] ZINC001598810958 1017429246 /nfs/dbraw/zinc/42/92/46/1017429246.db2.gz VKHZIRAXDQNHIO-GHMZBOCLSA-N -1 0 312.322 -0.152 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@H]1C(=O)[O-] ZINC001598811093 1017429454 /nfs/dbraw/zinc/42/94/54/1017429454.db2.gz YQGPHICTJYNMJE-MVWJERBFSA-N -1 0 321.333 -0.222 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C[C@H]1C(=O)OC ZINC001598813907 1017429730 /nfs/dbraw/zinc/42/97/30/1017429730.db2.gz IIBPIMSFJVTAPJ-QCLAVDOMSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)[C@H]1CN(CN2C(=O)CC3(CCC3)C2=O)C[C@@H]1C(=O)[O-] ZINC001598818163 1017431103 /nfs/dbraw/zinc/43/11/03/1017431103.db2.gz ACUTWZCEFAYSEO-UWVGGRQHSA-N -1 0 324.333 -0.321 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@@H]1C(=O)OC ZINC001598816631 1017431108 /nfs/dbraw/zinc/43/11/08/1017431108.db2.gz SQEXPNVQTZMLIK-JXUBOQSCSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2ncncc2OC)C[C@H]1C(=O)[O-] ZINC001598815415 1017432135 /nfs/dbraw/zinc/43/21/35/1017432135.db2.gz PIOFMSNSOVAHQW-SFYZADRCSA-N -1 0 324.293 -0.177 20 0 DBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1cc(C(=O)[O-])oc1C ZINC001598817544 1017432280 /nfs/dbraw/zinc/43/22/80/1017432280.db2.gz GVVYVJQWRJTXHE-VIFPVBQESA-N -1 0 324.289 -0.258 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cnc3[nH]cnc3c2)C[C@H]1C(=O)[O-] ZINC001598822671 1017434482 /nfs/dbraw/zinc/43/44/82/1017434482.db2.gz RSHGPMLQHZNZRV-BDAKNGLRSA-N -1 0 318.289 -0.096 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@@H]1C(=O)[O-] ZINC001598820307 1017435040 /nfs/dbraw/zinc/43/50/40/1017435040.db2.gz WFHGDADKEFZRNI-IUCAKERBSA-N -1 0 321.289 -0.874 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@@H]1C(=O)[O-] ZINC001598822893 1017435376 /nfs/dbraw/zinc/43/53/76/1017435376.db2.gz UFKIEGBAPIIOTE-VHSXEESVSA-N -1 0 313.285 -0.202 20 0 DBADRM COC(=O)[C@@H]1CSCCN(C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001598826754 1017437424 /nfs/dbraw/zinc/43/74/24/1017437424.db2.gz VLXAERIFHLHONI-YUMQZZPRSA-N -1 0 308.331 -0.043 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1C(=O)[O-] ZINC001598823867 1017437442 /nfs/dbraw/zinc/43/74/42/1017437442.db2.gz XSKNLFOPIOWWDS-HTQZYQBOSA-N -1 0 310.262 -0.676 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccno2)C[C@H]1C(=O)[O-] ZINC001598826627 1017438009 /nfs/dbraw/zinc/43/80/09/1017438009.db2.gz NVXHBGHSSFFCNJ-RKDXNWHRSA-N -1 0 318.307 -0.690 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)CC(C)(C)C(=O)[O-])CCO1 ZINC001598823956 1017438284 /nfs/dbraw/zinc/43/82/84/1017438284.db2.gz DYTDECFMBSJPHO-MRVPVSSYSA-N -1 0 309.340 -0.699 20 0 DBADRM COC(=O)C[C@@H](NC(=O)C1CN(CC(F)(F)F)C1)C(=O)[O-] ZINC001598836632 1017439996 /nfs/dbraw/zinc/43/99/96/1017439996.db2.gz FAHJQWWUNUXGMD-SSDOTTSWSA-N -1 0 312.244 -0.387 20 0 DBADRM COC(=O)[C@H]1COCCN1CC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001598828597 1017440322 /nfs/dbraw/zinc/44/03/22/1017440322.db2.gz ROXCIERKWHINIL-WDEREUQCSA-N -1 0 316.354 -0.524 20 0 DBADRM COC(=O)C=C[C@@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001598830568 1017440917 /nfs/dbraw/zinc/44/09/17/1017440917.db2.gz JAIGVFCGPNEWLD-KGJQDRRLSA-N -1 0 303.296 -0.496 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cc(F)cc2n[nH]nc21)C(=O)[O-] ZINC001598837357 1017441831 /nfs/dbraw/zinc/44/18/31/1017441831.db2.gz COLQGCGTEYQOIY-QMMMGPOBSA-N -1 0 310.241 -0.157 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)C[C@@H]1CCC1(F)F)C(=O)[O-] ZINC001598839795 1017441954 /nfs/dbraw/zinc/44/19/54/1017441954.db2.gz JTGNNSZYYZSCKL-BQBZGAKWSA-N -1 0 315.294 -0.033 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C(=O)[O-] ZINC001598839070 1017442020 /nfs/dbraw/zinc/44/20/20/1017442020.db2.gz VWMLMHMWCPBSPJ-IONNQARKSA-N -1 0 312.278 -0.470 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)C[C@H]1CCC1(F)F)C(=O)[O-] ZINC001598839798 1017442430 /nfs/dbraw/zinc/44/24/30/1017442430.db2.gz JTGNNSZYYZSCKL-RNFRBKRXSA-N -1 0 315.294 -0.033 20 0 DBADRM COC(=O)C[C@H](O)CNS(=O)(=O)c1occc1C(=O)[O-] ZINC001598841838 1017443033 /nfs/dbraw/zinc/44/30/33/1017443033.db2.gz UJEMHIBPUHCSQQ-LURJTMIESA-N -1 0 307.280 -0.820 20 0 DBADRM COC(=O)C[C@H]1CS(=O)(=O)CCN1C/C(C)=C/C(=O)[O-] ZINC001598844554 1017444106 /nfs/dbraw/zinc/44/41/06/1017444106.db2.gz PDTAVJAPRKCAOM-CYNRKNSPSA-N -1 0 305.352 -0.321 20 0 DBADRM COC(=O)CC1CC(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001598846695 1017444339 /nfs/dbraw/zinc/44/43/39/1017444339.db2.gz QJLBSGPPCSDDQY-QONHTCSSSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)[O-])n1C ZINC001598845874 1017444389 /nfs/dbraw/zinc/44/43/89/1017444389.db2.gz LEOXGGZFRYNMMC-SNVBAGLBSA-N -1 0 323.305 -0.773 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC001598845473 1017445033 /nfs/dbraw/zinc/44/50/33/1017445033.db2.gz HQBIZDSDCCBLDI-NSHDSACASA-N -1 0 309.322 -0.115 20 0 DBADRM COC(=O)CC[C@H](C(=O)[O-])N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001598846619 1017445142 /nfs/dbraw/zinc/44/51/42/1017445142.db2.gz JIMXTBBCECNIHL-LLVKDONJSA-N -1 0 315.370 -0.901 20 0 DBADRM COC(=O)C[C@@H]1CS(=O)(=O)CCN1C/C(C)=C/C(=O)[O-] ZINC001598844556 1017445456 /nfs/dbraw/zinc/44/54/56/1017445456.db2.gz PDTAVJAPRKCAOM-NAZIUFLLSA-N -1 0 305.352 -0.321 20 0 DBADRM CCc1c(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cnn1C ZINC001497622631 1017447120 /nfs/dbraw/zinc/44/71/20/1017447120.db2.gz DEUCSWHPZOUOLD-SNAWJCMRSA-N -1 0 319.369 -0.118 20 0 DBADRM COC(=O)CCCCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001598851817 1017448106 /nfs/dbraw/zinc/44/81/06/1017448106.db2.gz XTOHPEVPACSOTC-SNVBAGLBSA-N -1 0 314.338 -0.088 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)c1ccc(C(=O)[O-])n1C ZINC001598854690 1017449695 /nfs/dbraw/zinc/44/96/95/1017449695.db2.gz OBYOCVUAJVJNFR-UHFFFAOYSA-N -1 0 312.278 -0.441 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)Cn1ccc(C)cc1=O)C(=O)[O-] ZINC001598857012 1017450433 /nfs/dbraw/zinc/45/04/33/1017450433.db2.gz NOULCGHEPMVYJZ-SNVBAGLBSA-N -1 0 310.306 -0.321 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cc(C(=O)[O-])no1)C(=O)OC ZINC001598857171 1017450713 /nfs/dbraw/zinc/45/07/13/1017450713.db2.gz VSGFMMLTCNMFQB-ZCFIWIBFSA-N -1 0 314.250 -0.403 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H](OC)[C@@H]1CCOC1)C(=O)[O-] ZINC001598855811 1017450724 /nfs/dbraw/zinc/45/07/24/1017450724.db2.gz OBGZXGLSWXTMNQ-FXPVBKGRSA-N -1 0 303.311 -0.440 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CCc2cncn2C1)C(=O)[O-] ZINC001598856251 1017450861 /nfs/dbraw/zinc/45/08/61/1017450861.db2.gz SOFPKDNVWLBHDA-GXSJLCMTSA-N -1 0 309.322 -0.032 20 0 DBADRM COC(=O)CCN1CC[C@@H](N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)C1=O ZINC001598854335 1017450961 /nfs/dbraw/zinc/45/09/61/1017450961.db2.gz XBYOTNDWAWQHHV-GMTAPVOTSA-N -1 0 314.338 -0.676 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CCCN1C(C)=O)C(=O)[O-] ZINC001598857226 1017451069 /nfs/dbraw/zinc/45/10/69/1017451069.db2.gz YTSYBJOQDAEONK-NXEZZACHSA-N -1 0 300.311 -0.480 20 0 DBADRM COC(=O)CCNC(=O)[C@H]1CCC[C@@H]1C(=O)NCCC(=O)[O-] ZINC001598854647 1017451122 /nfs/dbraw/zinc/45/11/22/1017451122.db2.gz MGXGCBOUSMYCRN-UWVGGRQHSA-N -1 0 314.338 -0.327 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)CCn1cccn1)C(=O)[O-] ZINC001598857468 1017451192 /nfs/dbraw/zinc/45/11/92/1017451192.db2.gz SWHRUOWBICXSPO-SECBINFHSA-N -1 0 319.339 -0.791 20 0 DBADRM COC(=O)COC(=O)[C@@H]1C[C@@H](C)C[C@@H]1C(=O)OCC(=O)[O-] ZINC001598865556 1017458581 /nfs/dbraw/zinc/45/85/81/1017458581.db2.gz YUPDWAYCKQBNHH-XHNCKOQMSA-N -1 0 302.279 -0.007 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccnn1CC(F)F ZINC001598861787 1017453353 /nfs/dbraw/zinc/45/33/53/1017453353.db2.gz OFRJEKCQMKDHSM-UHFFFAOYSA-N -1 0 305.237 -0.152 20 0 DBADRM COC(=O)CN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001598859725 1017453841 /nfs/dbraw/zinc/45/38/41/1017453841.db2.gz QMONPEUSBAPTCY-UHFFFAOYSA-N -1 0 304.280 -0.301 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)/C=C(/C)CN1CCOCC1 ZINC001598860548 1017453888 /nfs/dbraw/zinc/45/38/88/1017453888.db2.gz LYGKYDREPTVMCF-XFFZJAGNSA-N -1 0 314.338 -0.649 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)COCc1cc(C)no1 ZINC001598859992 1017454037 /nfs/dbraw/zinc/45/40/37/1017454037.db2.gz FEYQXZHXYOPNFE-UHFFFAOYSA-N -1 0 300.267 -0.414 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC001598861088 1017454085 /nfs/dbraw/zinc/45/40/85/1017454085.db2.gz VTBDBZVENTXKDL-BDAKNGLRSA-N -1 0 300.311 -0.636 20 0 DBADRM COC(=O)COCC(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@H](OC)C1 ZINC001598864402 1017455348 /nfs/dbraw/zinc/45/53/48/1017455348.db2.gz IABJIZTXTPFWCN-KWBADKCTSA-N -1 0 317.338 -0.049 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C[C@H](c2cncn2C)CC1=O ZINC001598863768 1017455658 /nfs/dbraw/zinc/45/56/58/1017455658.db2.gz XUAZJINHHRTQIB-SNVBAGLBSA-N -1 0 324.337 -0.747 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cc1cn(Cc2cccnc2)nn1 ZINC001598861927 1017456061 /nfs/dbraw/zinc/45/60/61/1017456061.db2.gz VFDVEIPKNGPYHB-UHFFFAOYSA-N -1 0 319.321 -0.219 20 0 DBADRM COC(=O)CN(CCN1CCOCC1)CC1(C(=O)[O-])CC1 ZINC001598863061 1017456234 /nfs/dbraw/zinc/45/62/34/1017456234.db2.gz QSAQCALVAAAGRK-UHFFFAOYSA-N -1 0 300.355 -0.342 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1nccn2cc(C)nc12 ZINC001598863371 1017456336 /nfs/dbraw/zinc/45/63/36/1017456336.db2.gz KMYHTQNMCGCKJE-UHFFFAOYSA-N -1 0 306.278 -0.262 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1c1cc(CC(=O)[O-])ccn1 ZINC001598864116 1017456354 /nfs/dbraw/zinc/45/63/54/1017456354.db2.gz AWLNFXWNSFRDFN-LLVKDONJSA-N -1 0 321.333 -0.033 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)[O-])n1C ZINC001598864603 1017456484 /nfs/dbraw/zinc/45/64/84/1017456484.db2.gz KGJKIHCPDRLOIS-SSDOTTSWSA-N -1 0 312.278 -0.442 20 0 DBADRM COC(=O)CNC(=O)COC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001598864683 1017456549 /nfs/dbraw/zinc/45/65/49/1017456549.db2.gz LECNDQBCBQJEEY-HWKANZROSA-N -1 0 311.246 -0.177 20 0 DBADRM COC(=O)COCCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001598865332 1017457643 /nfs/dbraw/zinc/45/76/43/1017457643.db2.gz GMUCBWLFYNJIOH-VHSXEESVSA-N -1 0 303.311 -0.438 20 0 DBADRM COC(=O)CNC(=O)CS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001598864960 1017458471 /nfs/dbraw/zinc/45/84/71/1017458471.db2.gz MXCILHUOQKWDFX-UHFFFAOYSA-N -1 0 315.303 -0.552 20 0 DBADRM COC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1OC ZINC001598865111 1017458611 /nfs/dbraw/zinc/45/86/11/1017458611.db2.gz RABHDHKOZGYFOJ-UHFFFAOYSA-N -1 0 321.282 -0.016 20 0 DBADRM COC(=O)CNC(=O)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001598865674 1017458729 /nfs/dbraw/zinc/45/87/29/1017458729.db2.gz UVVNNJWTLGIVPU-LBPRGKRZSA-N -1 0 306.318 -0.040 20 0 DBADRM COC(=O)COc1cccc(C(=O)N[C@](C)(CO)C(=O)[O-])c1 ZINC001598867191 1017458786 /nfs/dbraw/zinc/45/87/86/1017458786.db2.gz MZBKGNBXQUJCIJ-CQSZACIVSA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)CNC(=O)COC(=O)Cc1ccccc1C(=O)[O-] ZINC001598865770 1017459063 /nfs/dbraw/zinc/45/90/63/1017459063.db2.gz WSTCNOLSQKDJHQ-UHFFFAOYSA-N -1 0 309.274 -0.240 20 0 DBADRM COC(=O)N(C)CC(=O)NCc1c(C)nn(CC(=O)[O-])c1C ZINC001598875642 1017460060 /nfs/dbraw/zinc/46/00/60/1017460060.db2.gz BXVYYKCWVKNCEL-UHFFFAOYSA-N -1 0 312.326 -0.101 20 0 DBADRM COC(=O)C[C@@H](OC(=O)c1ccc(C(=O)[O-])n1C)C(=O)OC ZINC001598872129 1017460585 /nfs/dbraw/zinc/46/05/85/1017460585.db2.gz UTZIZITZUBAISW-SECBINFHSA-N -1 0 313.262 -0.015 20 0 DBADRM COC(=O)N1CC(N2C(=O)[C@H]3C[C@@H](C(=O)[O-])CCN3C2=O)C1 ZINC001598875725 1017460788 /nfs/dbraw/zinc/46/07/88/1017460788.db2.gz KEROZRVBDLNABA-IONNQARKSA-N -1 0 311.294 -0.436 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@H]1C ZINC001598870136 1017461262 /nfs/dbraw/zinc/46/12/62/1017461262.db2.gz JKRXGZDLOBAHSA-RKDXNWHRSA-N -1 0 310.310 -0.366 20 0 DBADRM COC(=O)N1CC(NC(=O)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])C1 ZINC001598875869 1017461971 /nfs/dbraw/zinc/46/19/71/1017461971.db2.gz PKYRJNXZUFNHOR-UHFFFAOYSA-N -1 0 324.293 -0.473 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)c1csc(=O)[nH]1 ZINC001497663677 1017462463 /nfs/dbraw/zinc/46/24/63/1017462463.db2.gz YWBXUGLXZLCCLJ-UPHRSURJSA-N -1 0 310.339 -0.252 20 0 DBADRM COC(=O)NCCC(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001598883647 1017462623 /nfs/dbraw/zinc/46/26/23/1017462623.db2.gz SQIRTQMXEBLWGQ-RKDXNWHRSA-N -1 0 316.310 -0.403 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001598881119 1017463405 /nfs/dbraw/zinc/46/34/05/1017463405.db2.gz YAUWQXLSBBKNDX-AEJSXWLSSA-N -1 0 300.311 -0.034 20 0 DBADRM COC(=O)NCCCC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001598883309 1017463517 /nfs/dbraw/zinc/46/35/17/1017463517.db2.gz KHARUHPYESJLSD-CYBMUJFWSA-N -1 0 312.326 -0.021 20 0 DBADRM COC(=O)N1CCN([C@@H]2CCCN(CCC(=O)[O-])C2=O)CC1 ZINC001598881866 1017463951 /nfs/dbraw/zinc/46/39/51/1017463951.db2.gz MDBHHFOJECVELB-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM COC(=O)NCC(=O)N[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001598883112 1017464063 /nfs/dbraw/zinc/46/40/63/1017464063.db2.gz KRYKWZYPOWFSBC-SSDOTTSWSA-N -1 0 311.298 -0.553 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C[C@H]1CCCC(=O)N1 ZINC001598890682 1017464849 /nfs/dbraw/zinc/46/48/49/1017464849.db2.gz ULQMTPWPDFDRRF-RKDXNWHRSA-N -1 0 300.311 -0.432 20 0 DBADRM COC(=O)N[C@H](C(=O)N[C@H](Cn1cncn1)C(=O)[O-])C(C)C ZINC001598884471 1017465472 /nfs/dbraw/zinc/46/54/72/1017465472.db2.gz APHBCCLABUERMU-BDAKNGLRSA-N -1 0 313.314 -0.772 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CN1CCCCC1=O ZINC001598889699 1017465622 /nfs/dbraw/zinc/46/56/22/1017465622.db2.gz ARGQRSJCLMJBIY-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CS(=O)(=O)C(C)C ZINC001598890744 1017465688 /nfs/dbraw/zinc/46/56/88/1017465688.db2.gz VCGUFPYVVIREKY-MRVPVSSYSA-N -1 0 309.340 -0.668 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CCN1CCOC1=O ZINC001598890447 1017465773 /nfs/dbraw/zinc/46/57/73/1017465773.db2.gz PEAQYFBTNXVUMD-MRVPVSSYSA-N -1 0 302.283 -0.649 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)/C=C/c1ccc(C(N)=O)o1 ZINC001598889804 1017466622 /nfs/dbraw/zinc/46/66/22/1017466622.db2.gz DBNUJVCJPYQQNP-BSPAPZMXSA-N -1 0 324.289 -0.086 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CCN1CCCC1=O ZINC001598890192 1017466716 /nfs/dbraw/zinc/46/67/16/1017466716.db2.gz KUKKXAJPXRCGTJ-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001598884296 1017466753 /nfs/dbraw/zinc/46/67/53/1017466753.db2.gz STEQZYHMUVOFCJ-QMMMGPOBSA-N -1 0 313.310 -0.047 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cccc(C(N)=O)n1 ZINC001598893026 1017467808 /nfs/dbraw/zinc/46/78/08/1017467808.db2.gz ZSWAZJWJRLQARB-SECBINFHSA-N -1 0 309.278 -0.683 20 0 DBADRM COC(=O)[C@@H](NC(=O)CN1CCOC[C@@H]1CC(=O)[O-])C(C)C ZINC001598893890 1017467917 /nfs/dbraw/zinc/46/79/17/1017467917.db2.gz BXIUEAWKNTYGAF-GWCFXTLKSA-N -1 0 316.354 -0.524 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598893336 1017468019 /nfs/dbraw/zinc/46/80/19/1017468019.db2.gz FMIOLEDKLGJLQA-PGUXBMHVSA-N -1 0 307.302 -0.105 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)[C@H]1CCO[C@H]1C ZINC001598893260 1017468197 /nfs/dbraw/zinc/46/81/97/1017468197.db2.gz LLGBWEVKAJOJQE-YIZRAAEISA-N -1 0 309.340 -0.510 20 0 DBADRM C[C@H](C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)[C@@H]1CCC(=O)N1 ZINC001497683719 1017468363 /nfs/dbraw/zinc/46/83/63/1017468363.db2.gz RZSVZKZDFXADBO-ADLDAWLNSA-N -1 0 322.369 -0.813 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001598895983 1017468572 /nfs/dbraw/zinc/46/85/72/1017468572.db2.gz SDYGNXWBWVXCGH-AEJSXWLSSA-N -1 0 315.322 -0.092 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001598891326 1017468635 /nfs/dbraw/zinc/46/86/35/1017468635.db2.gz HOUXASIHSIWTPV-RKDXNWHRSA-N -1 0 315.326 -0.700 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC001598893259 1017468762 /nfs/dbraw/zinc/46/87/62/1017468762.db2.gz LLGBWEVKAJOJQE-IWSPIJDZSA-N -1 0 309.340 -0.510 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)Cn1ccc(C)cc1=O ZINC001598893584 1017468776 /nfs/dbraw/zinc/46/87/76/1017468776.db2.gz ZJKYGMXVSWVCDD-SNVBAGLBSA-N -1 0 310.306 -0.321 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCCC(=O)N1C ZINC001598891982 1017469136 /nfs/dbraw/zinc/46/91/36/1017469136.db2.gz YOWYEOKHNZYUNS-BDAKNGLRSA-N -1 0 300.311 -0.480 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001598894793 1017469332 /nfs/dbraw/zinc/46/93/32/1017469332.db2.gz RHDZOTOGXZQDEM-SFYZADRCSA-N -1 0 308.331 -0.043 20 0 DBADRM CC(=O)NC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1 ZINC001497695116 1017470403 /nfs/dbraw/zinc/47/04/03/1017470403.db2.gz BVURQQAYLSFCSW-LLVKDONJSA-N -1 0 319.321 -0.317 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C[C@H](C)O1 ZINC001598899254 1017470843 /nfs/dbraw/zinc/47/08/43/1017470843.db2.gz JJQFVKKNOKJEEZ-VGMNWLOBSA-N -1 0 309.340 -0.701 20 0 DBADRM COC(=O)[C@@H]1C[C@H](F)CN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001598900471 1017471199 /nfs/dbraw/zinc/47/11/99/1017471199.db2.gz OCLMFTQEFWGEBL-RCOVLWMOSA-N -1 0 320.298 -0.013 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001598900595 1017471392 /nfs/dbraw/zinc/47/13/92/1017471392.db2.gz ZHFHYVSTPFJVQH-KKFJDGPESA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@@H]1CN(CN2CC[C@@](OC)(C(=O)[O-])C2)C(=O)O1 ZINC001598898771 1017471674 /nfs/dbraw/zinc/47/16/74/1017471674.db2.gz JRZYEKFDALEQPP-UFBFGSQYSA-N -1 0 302.283 -0.887 20 0 DBADRM COC(=O)[C@@H]1C[C@H](F)CN1CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001598900693 1017471737 /nfs/dbraw/zinc/47/17/37/1017471737.db2.gz RTBURTGPHRILOB-QXEWZRGKSA-N -1 0 304.318 -0.203 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CC[C@](O)(C(=O)[O-])C2)C[C@H]1C ZINC001598901398 1017472149 /nfs/dbraw/zinc/47/21/49/1017472149.db2.gz HLMBQCUFZIWNIV-WBPNIITGSA-N -1 0 301.295 -0.999 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCOCC(=O)[O-])C[C@@H](C)O1 ZINC001598898073 1017472300 /nfs/dbraw/zinc/47/23/00/1017472300.db2.gz YXUDJLJIGGHTAC-BDAKNGLRSA-N -1 0 304.299 -0.941 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)OCCn2cc(C(=O)[O-])nn2)O1 ZINC001598898544 1017472341 /nfs/dbraw/zinc/47/23/41/1017472341.db2.gz YFMBENVNQWPHID-DTWKUNHWSA-N -1 0 313.266 -0.760 20 0 DBADRM COC(=O)[C@H]1CN([C@@H]2CCN(CCC(=O)[O-])C2=O)C[C@@H](C)O1 ZINC001598905386 1017473566 /nfs/dbraw/zinc/47/35/66/1017473566.db2.gz POCDRGLMRMDPOF-GMTAPVOTSA-N -1 0 314.338 -0.676 20 0 DBADRM COC(=O)[C@H]1CN(CCc2cn(CC(=O)[O-])nn2)C[C@@H](C)O1 ZINC001598904288 1017474174 /nfs/dbraw/zinc/47/41/74/1017474174.db2.gz APPYZCSIZYZVND-MWLCHTKSSA-N -1 0 312.326 -0.833 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001598902599 1017474307 /nfs/dbraw/zinc/47/43/07/1017474307.db2.gz BVFSMDULUSTGQO-BQBZGAKWSA-N -1 0 311.294 -0.491 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC001598906251 1017474985 /nfs/dbraw/zinc/47/49/85/1017474985.db2.gz LXHXVIJXUMHPDG-DCAQKATOSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NC2CC(C(=O)[O-])C2)C[C@@H](C)O1 ZINC001598904873 1017475070 /nfs/dbraw/zinc/47/50/70/1017475070.db2.gz KYKKKFKFRVFAOV-SEZDTBSWSA-N -1 0 300.311 -0.179 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@]12CCOC2 ZINC001497721943 1017476007 /nfs/dbraw/zinc/47/60/07/1017476007.db2.gz HPZDZCBMSJKKRV-ZDWRFTFISA-N -1 0 307.354 -0.301 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN2CCS(=O)(=O)CC2)n1 ZINC001598922691 1017476529 /nfs/dbraw/zinc/47/65/29/1017476529.db2.gz UGPUBWFODVRFOE-UHFFFAOYSA-N -1 0 317.323 -0.944 20 0 DBADRM COC(=O)c1c(C)[nH]c(C(=O)NCC(=O)NCC(=O)[O-])c1C ZINC001598911382 1017476782 /nfs/dbraw/zinc/47/67/82/1017476782.db2.gz VAIGTTBPFVLVSO-UHFFFAOYSA-N -1 0 311.294 -0.651 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN(C)[C@H]1CCN(C)C1=O ZINC001598925076 1017477824 /nfs/dbraw/zinc/47/78/24/1017477824.db2.gz NLBPIOACPLIOGG-VIFPVBQESA-N -1 0 310.310 -0.512 20 0 DBADRM COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001598909493 1017478081 /nfs/dbraw/zinc/47/80/81/1017478081.db2.gz FYWBUFXYZZZHDT-MRVPVSSYSA-N -1 0 323.305 -0.019 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)n[nH]1 ZINC001598952140 1017479910 /nfs/dbraw/zinc/47/99/10/1017479910.db2.gz FBHDFUKFAOXRCL-NKWVEPMBSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CCOC[C@H]2CC(=O)[O-])n1 ZINC001598956780 1017480173 /nfs/dbraw/zinc/48/01/73/1017480173.db2.gz WGEIOSGOQKTHDA-SECBINFHSA-N -1 0 311.294 -0.837 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])n[nH]1 ZINC001598951202 1017480471 /nfs/dbraw/zinc/48/04/71/1017480471.db2.gz CPOSAEWFWCCKEY-MRVPVSSYSA-N -1 0 317.323 -0.176 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])o1 ZINC001598957781 1017481171 /nfs/dbraw/zinc/48/11/71/1017481171.db2.gz MRCBQPQZIAWGLW-SSDOTTSWSA-N -1 0 310.262 -0.566 20 0 DBADRM Cc1conc1CNCC=CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001497734327 1017482649 /nfs/dbraw/zinc/48/26/49/1017482649.db2.gz JEESBRSWNBLXKY-IHWYPQMZSA-N -1 0 322.325 -0.552 20 0 DBADRM COC(=O)c1ccc(C(=O)NCCn2cc(C(=O)[O-])nn2)nc1 ZINC001598959846 1017482691 /nfs/dbraw/zinc/48/26/91/1017482691.db2.gz NMAXJTLXAFNYKP-UHFFFAOYSA-N -1 0 319.277 -0.412 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1C(=O)[O-] ZINC001598988610 1017482748 /nfs/dbraw/zinc/48/27/48/1017482748.db2.gz QOYJJSQTXZUFPS-SSDOTTSWSA-N -1 0 317.319 -0.170 20 0 DBADRM COC(=O)c1ccc(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)nn1 ZINC001598979329 1017483529 /nfs/dbraw/zinc/48/35/29/1017483529.db2.gz HQDUFPCFOAGLBM-JGVFFNPUSA-N -1 0 324.293 -0.438 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])n1C ZINC001598960131 1017483793 /nfs/dbraw/zinc/48/37/93/1017483793.db2.gz UDNNLYVRUPSOBW-SECBINFHSA-N -1 0 320.305 -0.040 20 0 DBADRM COC(=O)c1cccn(CC(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c1=O ZINC001599002157 1017484389 /nfs/dbraw/zinc/48/43/89/1017484389.db2.gz NTQPXTIRUJVLDD-NXEZZACHSA-N -1 0 322.317 -0.044 20 0 DBADRM COC(=O)c1cccc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c1 ZINC001598991407 1017484474 /nfs/dbraw/zinc/48/44/74/1017484474.db2.gz KUUDLRCSBLNQNX-NSHDSACASA-N -1 0 320.301 -0.159 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN[C@](C)(CO)C(=O)[O-])c1 ZINC001598997939 1017484612 /nfs/dbraw/zinc/48/46/12/1017484612.db2.gz QWPIPUYFHRCFEO-CQSZACIVSA-N -1 0 310.306 -0.163 20 0 DBADRM COC(=O)c1cccc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)n1 ZINC001599000413 1017484769 /nfs/dbraw/zinc/48/47/69/1017484769.db2.gz XKVNDRVFCYLOMK-UHFFFAOYSA-N -1 0 321.289 -0.212 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497747974 1017484785 /nfs/dbraw/zinc/48/47/85/1017484785.db2.gz FIATWZZVAADPRL-ONEGZZNKSA-N -1 0 319.369 -0.145 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN2C[C@@H](O)C[C@@H]2C(=O)[O-])n1 ZINC001598999800 1017484852 /nfs/dbraw/zinc/48/48/52/1017484852.db2.gz NKCPULHAGYNADC-WCBMZHEXSA-N -1 0 323.305 -0.674 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1C(=O)[O-] ZINC001598988612 1017484907 /nfs/dbraw/zinc/48/49/07/1017484907.db2.gz QOYJJSQTXZUFPS-ZETCQYMHSA-N -1 0 317.319 -0.170 20 0 DBADRM COC(=O)c1cccn(CC(=O)N(CC(=O)[O-])C(C)C)c1=O ZINC001599002640 1017485975 /nfs/dbraw/zinc/48/59/75/1017485975.db2.gz SVHMKLSMPJFMPN-UHFFFAOYSA-N -1 0 310.306 -0.044 20 0 DBADRM COC(=O)c1cn(CC(=O)OCC(=O)C(C)(C)C(=O)[O-])nn1 ZINC001599008012 1017486231 /nfs/dbraw/zinc/48/62/31/1017486231.db2.gz AQTZGFYLDMHERD-UHFFFAOYSA-N -1 0 313.266 -0.712 20 0 DBADRM COC(=O)c1cnc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cn1 ZINC001599007374 1017486450 /nfs/dbraw/zinc/48/64/50/1017486450.db2.gz IJELRMKGIWBKKO-XCBNKYQSSA-N -1 0 309.278 -0.423 20 0 DBADRM COC(=O)c1ccnc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1 ZINC001599006778 1017486598 /nfs/dbraw/zinc/48/65/98/1017486598.db2.gz XQJDYHJXPAJXML-ZJUUUORDSA-N -1 0 308.290 -0.224 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2CCOC[C@H]2CC(=O)[O-])n1 ZINC001599004213 1017486772 /nfs/dbraw/zinc/48/67/72/1017486772.db2.gz GICBCDWDCNIRIG-SECBINFHSA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)c1cn(CCNC(=O)c2c[nH]c(C(=O)[O-])c2)nn1 ZINC001599008008 1017486806 /nfs/dbraw/zinc/48/68/06/1017486806.db2.gz AOBLJIQQRWMGPW-UHFFFAOYSA-N -1 0 307.266 -0.479 20 0 DBADRM COC(=O)c1ccccc1NC(=O)CN1CC[C@@](O)(C(=O)[O-])C1 ZINC001599003005 1017486978 /nfs/dbraw/zinc/48/69/78/1017486978.db2.gz NDZZZADFYWYCKH-HNNXBMFYSA-N -1 0 322.317 -0.067 20 0 DBADRM COC(=O)c1cc[nH]c(=O)c1NCc1cn(CC(=O)[O-])nn1 ZINC001599005240 1017487412 /nfs/dbraw/zinc/48/74/12/1017487412.db2.gz XGSBAAIPNUCPMJ-UHFFFAOYSA-N -1 0 307.266 -0.138 20 0 DBADRM COC(=O)c1ccn(CC(=O)N[C@@H](CC(F)F)C(=O)[O-])n1 ZINC001599004556 1017487477 /nfs/dbraw/zinc/48/74/77/1017487477.db2.gz MSPDJAXIGYNKQX-ZETCQYMHSA-N -1 0 305.237 -0.106 20 0 DBADRM COC(=O)c1cn(CCNC(=O)c2ccoc2CC(=O)[O-])nn1 ZINC001599008277 1017487795 /nfs/dbraw/zinc/48/77/95/1017487795.db2.gz KCAMPUUTNLRQKA-UHFFFAOYSA-N -1 0 322.277 -0.285 20 0 DBADRM COC(=O)c1conc1C(C)(C)NCC(=O)NCCC(=O)[O-] ZINC001599012903 1017488949 /nfs/dbraw/zinc/48/89/49/1017488949.db2.gz OFIRTWIGRBNRHE-UHFFFAOYSA-N -1 0 313.310 -0.123 20 0 DBADRM CO[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC001599027499 1017489413 /nfs/dbraw/zinc/48/94/13/1017489413.db2.gz BPEZHVZWXAMQJJ-XKNYDFJKSA-N -1 0 302.327 -0.868 20 0 DBADRM COC(=O)c1occc1CNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001599019162 1017489595 /nfs/dbraw/zinc/48/95/95/1017489595.db2.gz BTYPMMHGZHZHBD-UHFFFAOYSA-N -1 0 308.250 -0.328 20 0 DBADRM CO[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-])C1CCC1 ZINC001599024231 1017490449 /nfs/dbraw/zinc/49/04/49/1017490449.db2.gz WQTOQEVREJWNTM-PWSUYJOCSA-N -1 0 319.379 -0.098 20 0 DBADRM COC(=O)c1cnn(CC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)c1 ZINC001599010929 1017490529 /nfs/dbraw/zinc/49/05/29/1017490529.db2.gz FBOPOJMUEFGYNU-NSHDSACASA-N -1 0 311.294 -0.745 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC[C@@]1(C(=O)[O-])CCOC1)C1CC1 ZINC001599055114 1017498224 /nfs/dbraw/zinc/49/82/24/1017498224.db2.gz CAVMOCWYQMETCP-JQWIXIFHSA-N -1 0 307.368 -0.178 20 0 DBADRM CO[C@](C)(C(=O)NC[C@@H](O)CC(=O)[O-])C(=O)OC(C)(C)C ZINC001599031737 1017492157 /nfs/dbraw/zinc/49/21/57/1017492157.db2.gz MCSDJAIARMKXBB-ISVAXAHUSA-N -1 0 305.327 -0.315 20 0 DBADRM CO[C@@](C)(CO)CNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001599034415 1017492234 /nfs/dbraw/zinc/49/22/34/1017492234.db2.gz GMIMEHFGHNRKNC-CYBMUJFWSA-N -1 0 313.310 -0.527 20 0 DBADRM CO[C@@](C)(CO)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001599035097 1017492258 /nfs/dbraw/zinc/49/22/58/1017492258.db2.gz SKIOEMVODSUBBK-OAHLLOKOSA-N -1 0 324.333 -0.234 20 0 DBADRM CO[C@@](C)(CO)CNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001599034666 1017492278 /nfs/dbraw/zinc/49/22/78/1017492278.db2.gz KYBBYIKEVCKGGN-OAHLLOKOSA-N -1 0 324.333 -0.234 20 0 DBADRM CO[C@H](C(=O)NCCC(=O)NCCC(=O)[O-])[C@@H]1CCOC1 ZINC001599028742 1017492572 /nfs/dbraw/zinc/49/25/72/1017492572.db2.gz ROCSLRVKAMDNHC-SKDRFNHKSA-N -1 0 302.327 -0.865 20 0 DBADRM CO[C@H](C(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001599031500 1017492786 /nfs/dbraw/zinc/49/27/86/1017492786.db2.gz ZQXUCASNWGOSFN-GUBZILKMSA-N -1 0 317.338 -0.363 20 0 DBADRM CO[C@@](C)(CO)CNS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599034560 1017492793 /nfs/dbraw/zinc/49/27/93/1017492793.db2.gz JJEOETIKKOJPTP-LLVKDONJSA-N -1 0 307.324 -0.038 20 0 DBADRM CO[C@H](C(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001599031499 1017493005 /nfs/dbraw/zinc/49/30/05/1017493005.db2.gz ZQXUCASNWGOSFN-BBBLOLIVSA-N -1 0 317.338 -0.363 20 0 DBADRM CO[C@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001599035463 1017494965 /nfs/dbraw/zinc/49/49/65/1017494965.db2.gz FBJFMOVKUOHCDE-OPRDCNLKSA-N -1 0 308.338 -0.110 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)c1cc(CO)on1)OC ZINC001599045780 1017495029 /nfs/dbraw/zinc/49/50/29/1017495029.db2.gz UFWPPXNBIQYFJA-UHFFFAOYSA-N -1 0 302.283 -0.297 20 0 DBADRM CO[C@@](C)(CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C1CC1 ZINC001599035654 1017495674 /nfs/dbraw/zinc/49/56/74/1017495674.db2.gz BVWJMNIJUYQLRH-AWEZNQCLSA-N -1 0 324.337 -0.012 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@H]1CCCC(=O)N1C)OC ZINC001599047028 1017495795 /nfs/dbraw/zinc/49/57/95/1017495795.db2.gz RENUVFTZCIDBLH-SNVBAGLBSA-N -1 0 316.354 -0.081 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)C[C@@H]1COC(=O)C1)OC ZINC001599046720 1017496190 /nfs/dbraw/zinc/49/61/90/1017496190.db2.gz LKSVGTOHTAFLDN-VIFPVBQESA-N -1 0 303.311 -0.138 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)/C=C/Cn1cncn1)OC ZINC001599047180 1017496320 /nfs/dbraw/zinc/49/63/20/1017496320.db2.gz RVWKMHPNUCHQMW-ONEGZZNKSA-N -1 0 312.326 -0.244 20 0 DBADRM CO[C@H](CNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[C@H]1CCOC1 ZINC001599050091 1017497052 /nfs/dbraw/zinc/49/70/52/1017497052.db2.gz RFZXTZSMZBIOTC-WRWGMCAJSA-N -1 0 316.354 -0.173 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)[C@H]1CCOC1 ZINC001599053713 1017497890 /nfs/dbraw/zinc/49/78/90/1017497890.db2.gz DDHXRRNWKPQKHX-CBAPKCEASA-N -1 0 319.339 -0.562 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@@H](CF)C(=O)[O-])C1CCOCC1 ZINC001599057828 1017500554 /nfs/dbraw/zinc/50/05/54/1017500554.db2.gz VMFMNJBEQFRVAI-UWVGGRQHSA-N -1 0 313.347 -0.230 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1)C(C)C ZINC001599050210 1017498562 /nfs/dbraw/zinc/49/85/62/1017498562.db2.gz GUMJOHLQLWWRFT-WDEREUQCSA-N -1 0 316.354 -0.524 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001599055418 1017498704 /nfs/dbraw/zinc/49/87/04/1017498704.db2.gz FWDACEXEOXCNAO-XWLWVQCSSA-N -1 0 307.368 -0.180 20 0 DBADRM CO[C@H](CS(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)C(C)C ZINC001599056022 1017499021 /nfs/dbraw/zinc/49/90/21/1017499021.db2.gz ATUXPCRDVZCTEM-OUAUKWLOSA-N -1 0 309.384 -0.245 20 0 DBADRM COC1(C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)CS(=O)(=O)C1 ZINC001599061622 1017500102 /nfs/dbraw/zinc/50/01/02/1017500102.db2.gz BCJAQLVHJJKMEE-UHFFFAOYSA-N -1 0 317.363 -0.202 20 0 DBADRM COC(OC)[C@@H](C)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599061254 1017500732 /nfs/dbraw/zinc/50/07/32/1017500732.db2.gz AZYOEVVTDZMSPK-BIIVOSGPSA-N -1 0 305.331 -0.729 20 0 DBADRM CO[C@H](CS(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)C1CC1 ZINC001599058404 1017500745 /nfs/dbraw/zinc/50/07/45/1017500745.db2.gz LHVZKPSIYITVJC-HBNTYKKESA-N -1 0 307.368 -0.491 20 0 DBADRM COC(OC)C(=O)N1[C@@H](C)SC[C@H]1C(=O)NCCC(=O)[O-] ZINC001599059890 1017501537 /nfs/dbraw/zinc/50/15/37/1017501537.db2.gz OCSQGFZTAWEZJT-SFYZADRCSA-N -1 0 320.367 -0.514 20 0 DBADRM COC(OC)[C@H](C)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599061255 1017501548 /nfs/dbraw/zinc/50/15/48/1017501548.db2.gz AZYOEVVTDZMSPK-FXQIFTODSA-N -1 0 305.331 -0.729 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCC(F)(F)F)C1 ZINC001599066082 1017502848 /nfs/dbraw/zinc/50/28/48/1017502848.db2.gz ANCXCFQGTQTWTR-SNVBAGLBSA-N -1 0 312.244 -0.243 20 0 DBADRM COC1(C(=O)N[C@H](C(=O)[O-])c2ccsc2)CS(=O)(=O)C1 ZINC001599065013 1017503295 /nfs/dbraw/zinc/50/32/95/1017503295.db2.gz RZZHJAQYIVAIIH-QMMMGPOBSA-N -1 0 319.360 -0.196 20 0 DBADRM COC1(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)CS(=O)(=O)C1 ZINC001599064889 1017503369 /nfs/dbraw/zinc/50/33/69/1017503369.db2.gz MAPNLJYITIYKQG-RKDXNWHRSA-N -1 0 305.352 -0.631 20 0 DBADRM COC1(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CCOCC1 ZINC001599065009 1017503433 /nfs/dbraw/zinc/50/34/33/1017503433.db2.gz RUYLUYNEURLJEY-SNVBAGLBSA-N -1 0 317.338 -0.096 20 0 DBADRM COC1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CCC1 ZINC001599065256 1017503646 /nfs/dbraw/zinc/50/36/46/1017503646.db2.gz UZFBVWOJYDHYHZ-GZMMTYOYSA-N -1 0 305.352 -0.440 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CC(C)(C)CO)C1 ZINC001599069252 1017504374 /nfs/dbraw/zinc/50/43/74/1017504374.db2.gz SIIUWJRDHMONOI-CQSZACIVSA-N -1 0 316.354 -0.835 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CC2SC(=N)NC2=O)C1 ZINC001599067431 1017504416 /nfs/dbraw/zinc/50/44/16/1017504416.db2.gz AHIVQBLMJXFDGW-KSBSHMNSSA-N -1 0 301.324 -0.755 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cc(C)nn2C)C1 ZINC001599068750 1017504717 /nfs/dbraw/zinc/50/47/17/1017504717.db2.gz LZCWVMXJIWQATC-CYBMUJFWSA-N -1 0 310.310 -0.631 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@]2(C)CC2(F)F)C1 ZINC001599067088 1017504805 /nfs/dbraw/zinc/50/48/05/1017504805.db2.gz QIINXAMKRJDGNU-NEPJUHHUSA-N -1 0 320.292 -0.150 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C2CCS(=O)(=O)CC2)C1 ZINC001599068498 1017504912 /nfs/dbraw/zinc/50/49/12/1017504912.db2.gz OQSQCHWLUCLLAQ-LBPRGKRZSA-N -1 0 305.352 -0.487 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@]2(C)CCOC2)C1 ZINC001599067271 1017504925 /nfs/dbraw/zinc/50/49/25/1017504925.db2.gz RRUOFMNSGQCQSN-KBPBESRZSA-N -1 0 314.338 -0.769 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCCOC[C@@H]2C)C1 ZINC001599067646 1017505036 /nfs/dbraw/zinc/50/50/36/1017505036.db2.gz UFMDZSIVGXFAHO-HZMBPMFUSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)Cc2cnccn2)C1 ZINC001599068256 1017505124 /nfs/dbraw/zinc/50/51/24/1017505124.db2.gz LHXPPAZTHOETGV-AWEZNQCLSA-N -1 0 322.321 -0.863 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001599066820 1017505141 /nfs/dbraw/zinc/50/51/41/1017505141.db2.gz ZFPIINBDUDCEKA-CYBMUJFWSA-N -1 0 317.363 -0.487 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)/C=C2\SCC(=O)N2C)C1 ZINC001599067785 1017505789 /nfs/dbraw/zinc/50/57/89/1017505789.db2.gz GKFIJYGTIUFHMH-JSJZCHLLSA-N -1 0 300.336 -0.265 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CCn2c(C)cc(O)cc2=O)C1 ZINC001599068159 1017506046 /nfs/dbraw/zinc/50/60/46/1017506046.db2.gz KXZVNWSKSBZIQM-HNNXBMFYSA-N -1 0 324.333 -0.045 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001599073185 1017507144 /nfs/dbraw/zinc/50/71/44/1017507144.db2.gz VCTJGCJLLBSDSX-QMTHXVAHSA-N -1 0 323.353 -0.214 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCCN2CCSCC2)C1 ZINC001599073234 1017507200 /nfs/dbraw/zinc/50/72/00/1017507200.db2.gz VPTIRMQIYPYPSF-ZDUSSCGKSA-N -1 0 317.411 -0.080 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(Cn2nnn(-c3ccccc3)c2=O)C1 ZINC001599078768 1017508494 /nfs/dbraw/zinc/50/84/94/1017508494.db2.gz KSOSNYPCTZITTE-AWEZNQCLSA-N -1 0 319.321 -0.438 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@H]2CCOC[C@H]2C)C1 ZINC001599079800 1017509675 /nfs/dbraw/zinc/50/96/75/1017509675.db2.gz XZBIPDPEAMCZFM-JFGNBEQYSA-N -1 0 307.368 -0.083 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(CN2C[C@@H](c3cncn3C)CC2=O)C1 ZINC001599076949 1017509705 /nfs/dbraw/zinc/50/97/05/1017509705.db2.gz BQTHMWUKUVWXBQ-NHYWBVRUSA-N -1 0 322.365 -0.131 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(Cl)n2C)C1 ZINC001599079101 1017510622 /nfs/dbraw/zinc/51/06/22/1017510622.db2.gz OOZBVNMOPSVMCG-JTQLQIEISA-N -1 0 323.758 -0.062 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2cc(C)nc(S(C)(=O)=O)n2)C1 ZINC001599079002 1017510840 /nfs/dbraw/zinc/51/08/40/1017510840.db2.gz WHTVQDRKKWQSFI-LBPRGKRZSA-N -1 0 315.351 -0.132 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(CN2C[C@H](c3cncn3C)CC2=O)C1 ZINC001599076948 1017511084 /nfs/dbraw/zinc/51/10/84/1017511084.db2.gz BQTHMWUKUVWXBQ-IAQYHMDHSA-N -1 0 322.365 -0.131 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC001599079123 1017511140 /nfs/dbraw/zinc/51/11/40/1017511140.db2.gz PELHEBIENBLSKE-WYFGTUCQSA-N -1 0 305.352 -0.188 20 0 DBADRM CO[C@]1(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CCOC1 ZINC001599088615 1017512206 /nfs/dbraw/zinc/51/22/06/1017512206.db2.gz DXBDQRIFMVLCHF-HZMBPMFUSA-N -1 0 314.338 -0.769 20 0 DBADRM COC1(C(F)(F)F)CN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001599086353 1017512531 /nfs/dbraw/zinc/51/25/31/1017512531.db2.gz GRCNMDKAJAXVBJ-KNVOCYPGSA-N -1 0 324.255 -0.245 20 0 DBADRM CO[C@]1(CNC(=O)Cn2cccc(C(=O)[O-])c2=O)CCOC1 ZINC001599089452 1017513134 /nfs/dbraw/zinc/51/31/34/1017513134.db2.gz OOWDOJQMGPBCLC-AWEZNQCLSA-N -1 0 310.306 -0.532 20 0 DBADRM CO[C@@]1(CNC(=O)c2ccc(C(=O)[O-])o2)CCS(=O)(=O)C1 ZINC001599091096 1017512916 /nfs/dbraw/zinc/51/29/16/1017512916.db2.gz HQJJFHBRWWYXTA-GFCCVEGCSA-N -1 0 317.319 -0.089 20 0 DBADRM COC1(C[C@@H]2NC(=O)N(CCOCC(=O)[O-])C2=O)CCC1 ZINC001599088316 1017513286 /nfs/dbraw/zinc/51/32/86/1017513286.db2.gz LBNZKYVROSLUMV-VIFPVBQESA-N -1 0 300.311 -0.033 20 0 DBADRM CO[C@@]1(CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCOC1 ZINC001599089483 1017513521 /nfs/dbraw/zinc/51/35/21/1017513521.db2.gz FYMDAQMMRPBKOG-GIPNMCIBSA-N -1 0 302.327 -0.419 20 0 DBADRM COC1(OC)CC(NC(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001599093616 1017513658 /nfs/dbraw/zinc/51/36/58/1017513658.db2.gz BJMPWBHOVHCGFT-UHFFFAOYSA-N -1 0 310.306 -0.186 20 0 DBADRM COC1(CS(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)CCOCC1 ZINC001599092659 1017513827 /nfs/dbraw/zinc/51/38/27/1017513827.db2.gz ZSAOYAHVCCYXAX-SNVBAGLBSA-N -1 0 307.368 -0.035 20 0 DBADRM CO[C@]1(CN2C(=O)[C@@H]3CC[C@H](C(=O)[O-])CN3C2=O)CCOC1 ZINC001599090010 1017513869 /nfs/dbraw/zinc/51/38/69/1017513869.db2.gz XWVRVWKMERTGQO-BHDSKKPTSA-N -1 0 312.322 -0.081 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)NCCCCC(=O)[O-])CCOC1 ZINC001599089965 1017513941 /nfs/dbraw/zinc/51/39/41/1017513941.db2.gz WOARKIRJLQLJCR-CYBMUJFWSA-N -1 0 302.327 -0.721 20 0 DBADRM COC1(CNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CCC1 ZINC001599088137 1017514148 /nfs/dbraw/zinc/51/41/48/1017514148.db2.gz BLBPYQDFKAJXOO-UHFFFAOYSA-N -1 0 310.310 -0.258 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)C2(NC(N)=O)CC2)C(=O)[O-])C1 ZINC001599106560 1017514946 /nfs/dbraw/zinc/51/49/46/1017514946.db2.gz RDYTXKCYRWFASB-IVZWLZJFSA-N -1 0 313.354 -0.038 20 0 DBADRM CO[C@H]1C[C@H](NC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1(C)C ZINC001599095262 1017514967 /nfs/dbraw/zinc/51/49/67/1017514967.db2.gz HAZHLEDXEBNXBK-IUCAKERBSA-N -1 0 324.337 -0.014 20 0 DBADRM CO[C@@H]1CC[C@@H]1N(C)C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599104078 1017515429 /nfs/dbraw/zinc/51/54/29/1017515429.db2.gz LOESQEHHYPOWBB-GARJFASQSA-N -1 0 314.338 -0.676 20 0 DBADRM CO[C@@H]1CC[C@H]1N(C)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599102908 1017515766 /nfs/dbraw/zinc/51/57/66/1017515766.db2.gz CRCQBESIRADUFS-NXEZZACHSA-N -1 0 301.343 -0.214 20 0 DBADRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)C2(NC(N)=O)CC2)C(=O)[O-])C1 ZINC001599106559 1017516298 /nfs/dbraw/zinc/51/62/98/1017516298.db2.gz RDYTXKCYRWFASB-BBBLOLIVSA-N -1 0 313.354 -0.038 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H]2CSCC(=O)N2)[C@H](C(=O)[O-])C1 ZINC001599117865 1017517392 /nfs/dbraw/zinc/51/73/92/1017517392.db2.gz PKVCDTLVDJSTSP-VGMNWLOBSA-N -1 0 302.352 -0.691 20 0 DBADRM CO[C@H]1CC[C@@H]1N(C)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599102910 1017516538 /nfs/dbraw/zinc/51/65/38/1017516538.db2.gz CRCQBESIRADUFS-UWVGGRQHSA-N -1 0 301.343 -0.214 20 0 DBADRM CO[C@]1(Cn2nnnc2N2CC[C@@H](C(=O)[O-])[C@H]2C)CCOC1 ZINC001599096077 1017516556 /nfs/dbraw/zinc/51/65/56/1017516556.db2.gz QUNLQVQNTDYGBM-BREBYQMCSA-N -1 0 311.342 -0.222 20 0 DBADRM CO[C@H]1CCN(C(=O)CS(=O)(=O)C2CC2)[C@H](C(=O)[O-])C1 ZINC001599120880 1017517375 /nfs/dbraw/zinc/51/73/75/1017517375.db2.gz YEMPWJDYUUCWDT-WPRPVWTQSA-N -1 0 305.352 -0.346 20 0 DBADRM CO[C@H]1CCN(C(=O)CCn2cnccc2=O)[C@@H](C(=O)[O-])C1 ZINC001599120387 1017517549 /nfs/dbraw/zinc/51/75/49/1017517549.db2.gz VTGAGYBYEINZMU-WDEREUQCSA-N -1 0 309.322 -0.276 20 0 DBADRM CO[C@@H]1CCN(CC(=O)N=[S@](C)(=O)N(C)C)[C@@H](C(=O)[O-])C1 ZINC001599121539 1017517708 /nfs/dbraw/zinc/51/77/08/1017517708.db2.gz BQRMPTDTSAHSRQ-QDXVKYEASA-N -1 0 321.399 -0.349 20 0 DBADRM CO[C@@H]1CCN(C(=O)c2nc3ncccn3n2)[C@@H](C(=O)[O-])C1 ZINC001599120530 1017518044 /nfs/dbraw/zinc/51/80/44/1017518044.db2.gz BBQJRVAVZDIWIM-RKDXNWHRSA-N -1 0 305.294 -0.172 20 0 DBADRM CO[C@@H]1CCN(C(=O)c2cccc(C(N)=O)n2)[C@H](C(=O)[O-])C1 ZINC001599120906 1017518508 /nfs/dbraw/zinc/51/85/08/1017518508.db2.gz DGSXZKMUMBFTFH-KCJUWKMLSA-N -1 0 307.306 -0.115 20 0 DBADRM CO[C@H]1CCN(C(=O)CNC(=O)c2ccncc2)[C@H](C(=O)[O-])C1 ZINC001599120108 1017518616 /nfs/dbraw/zinc/51/86/16/1017518616.db2.gz UIDYDMWFCUXZJR-RYUDHWBXSA-N -1 0 321.333 -0.098 20 0 DBADRM CO[C@@H]1CCN(C(=O)CCN2CCOC2=O)[C@H](C(=O)[O-])C1 ZINC001599120764 1017519074 /nfs/dbraw/zinc/51/90/74/1017519074.db2.gz XMFKQDMOYDFJOR-ZJUUUORDSA-N -1 0 300.311 -0.081 20 0 DBADRM COC1CCN(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)CC1 ZINC001599126845 1017519840 /nfs/dbraw/zinc/51/98/40/1017519840.db2.gz NNTNINZTBBBFIM-UHFFFAOYSA-N -1 0 318.355 -0.265 20 0 DBADRM CO[C@@H]1CN(C(=O)Cn2nnnc2C(C)C)[C@](C)(C(=O)[O-])C1 ZINC001599128773 1017519860 /nfs/dbraw/zinc/51/98/60/1017519860.db2.gz AUCLGLFBHOSAIQ-ZANVPECISA-N -1 0 311.342 -0.113 20 0 DBADRM COC1CCN(S(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])CC1 ZINC001599124183 1017520173 /nfs/dbraw/zinc/52/01/73/1017520173.db2.gz OBOKMWYTFOSNRF-SNVBAGLBSA-N -1 0 324.424 -0.156 20 0 DBADRM CO[C@@H]1CN(C(=O)CCn2cnccc2=O)[C@](C)(C(=O)[O-])C1 ZINC001599132971 1017521136 /nfs/dbraw/zinc/52/11/36/1017521136.db2.gz HKGNBIIXLWLBJI-HZMBPMFUSA-N -1 0 309.322 -0.276 20 0 DBADRM CO[C@@H]1CN(C(=O)c2nc3n(n2)CCCN3)[C@](C)(C(=O)[O-])C1 ZINC001599132101 1017521667 /nfs/dbraw/zinc/52/16/67/1017521667.db2.gz QFSZRMSFOLUBHR-SDBXPKJASA-N -1 0 309.326 -0.945 20 0 DBADRM CO[C@@H]1CN(C(=O)CS(=O)(=O)C2CC2)[C@@](C)(C(=O)[O-])C1 ZINC001599131525 1017521722 /nfs/dbraw/zinc/52/17/22/1017521722.db2.gz AUHFLCZLFZZWEX-QPUJVOFHSA-N -1 0 305.352 -0.346 20 0 DBADRM CO[C@H]1CN(C(=O)CCN2CCOCC2)[C@@](C)(C(=O)[O-])C1 ZINC001599135859 1017522855 /nfs/dbraw/zinc/52/28/55/1017522855.db2.gz XOIHFWYOYHDOBX-BXUZGUMPSA-N -1 0 300.355 -0.201 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)CCn2cccn2)[C@](C)(C(=O)[O-])C1 ZINC001599136419 1017523235 /nfs/dbraw/zinc/52/32/35/1017523235.db2.gz HLORYPAMSQQKGG-JQWIXIFHSA-N -1 0 317.367 -0.223 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CNS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001599137631 1017523388 /nfs/dbraw/zinc/52/33/88/1017523388.db2.gz HIHUMANKPPNIRU-NXEZZACHSA-N -1 0 307.368 -0.178 20 0 DBADRM CO[C@H]1COCC[C@H]1N(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001599139248 1017525438 /nfs/dbraw/zinc/52/54/38/1017525438.db2.gz KZYGGWMWFPBXKB-ZJUUUORDSA-N -1 0 310.372 -0.627 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cccc(C(=O)[O-])n1 ZINC001599139515 1017525596 /nfs/dbraw/zinc/52/55/96/1017525596.db2.gz LFDSWFPKEHRYFX-UWVGGRQHSA-N -1 0 314.319 -0.678 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1cc(C(=O)[O-])c(C)n1C ZINC001599140349 1017525971 /nfs/dbraw/zinc/52/59/71/1017525971.db2.gz OQVVHBRWAXBXAU-VXGBXAGGSA-N -1 0 316.379 -0.067 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001599137874 1017526835 /nfs/dbraw/zinc/52/68/35/1017526835.db2.gz IMZBQJIGQKCNQH-PRULPYPASA-N -1 0 301.339 -0.136 20 0 DBADRM COCC(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1OC ZINC001599142764 1017527655 /nfs/dbraw/zinc/52/76/55/1017527655.db2.gz HVUPXUXXDWQDAS-NXEZZACHSA-N -1 0 310.310 -0.859 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC001599141541 1017527700 /nfs/dbraw/zinc/52/77/00/1017527700.db2.gz PZNYFCVSCMHADS-SECBINFHSA-N -1 0 315.351 -0.640 20 0 DBADRM COCC(=O)NC1CCN(C(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001599143396 1017527729 /nfs/dbraw/zinc/52/77/29/1017527729.db2.gz RITVVCBZLZIRPD-UHFFFAOYSA-N -1 0 311.294 -0.260 20 0 DBADRM COCC(=O)N(C)[C@H](CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001599140871 1017528174 /nfs/dbraw/zinc/52/81/74/1017528174.db2.gz GGBIKCCVVRWRIQ-SNVBAGLBSA-N -1 0 308.338 -0.108 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(C(=O)[O-])n1C ZINC001599142166 1017528255 /nfs/dbraw/zinc/52/82/55/1017528255.db2.gz YWJGNRRIXZLWAR-ONGXEEELSA-N -1 0 302.352 -0.375 20 0 DBADRM CO[C@H]1COCC[C@H]1N(C)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001599140636 1017528335 /nfs/dbraw/zinc/52/83/35/1017528335.db2.gz PWJQBAYZHWWYJM-YTWAJWBKSA-N -1 0 307.368 -0.085 20 0 DBADRM COCC(=O)NC1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001599142258 1017528770 /nfs/dbraw/zinc/52/87/70/1017528770.db2.gz BTSSWSXUSZFIMH-UHFFFAOYSA-N -1 0 322.321 -0.458 20 0 DBADRM COCC(=O)NCCC(=O)N(C)[C@H](COC(C)C)C(=O)[O-] ZINC001599143335 1017529114 /nfs/dbraw/zinc/52/91/14/1017529114.db2.gz RRPLIQJEBAVPSC-SNVBAGLBSA-N -1 0 304.343 -0.524 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001599145456 1017529839 /nfs/dbraw/zinc/52/98/39/1017529839.db2.gz AIRJUGIJINWVOL-OTYXRUKQSA-N -1 0 310.354 -0.084 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC001599147971 1017529851 /nfs/dbraw/zinc/52/98/51/1017529851.db2.gz DUYOSOZQGJNOLL-IGJMFERPSA-N -1 0 303.311 -0.297 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CCc2nnnn2CC1 ZINC001599146401 1017530753 /nfs/dbraw/zinc/53/07/53/1017530753.db2.gz UVFALNFAMKBZOT-ZANVPECISA-N -1 0 311.342 -0.378 20 0 DBADRM COC[C@](C)(NC(=O)CNC(=O)c1cccc(O)c1)C(=O)[O-] ZINC001599153423 1017531960 /nfs/dbraw/zinc/53/19/60/1017531960.db2.gz YSVPUICIXUZVEN-AWEZNQCLSA-N -1 0 310.306 -0.272 20 0 DBADRM COC[C@@](C)(CC(=O)OC)NC(=O)c1cc(C(=O)[O-])nn1C ZINC001599151512 1017532504 /nfs/dbraw/zinc/53/25/04/1017532504.db2.gz VZLJIWKXNRZJCK-CYBMUJFWSA-N -1 0 313.310 -0.184 20 0 DBADRM COC[C@@](C)(NC(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC001599153055 1017532549 /nfs/dbraw/zinc/53/25/49/1017532549.db2.gz RHUPPAVDIPTNCU-GFCCVEGCSA-N -1 0 316.335 -0.295 20 0 DBADRM COC[C@](C)(NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)C(=O)[O-] ZINC001599152240 1017532771 /nfs/dbraw/zinc/53/27/71/1017532771.db2.gz MRXYMZIQINFUEC-LHGDZMGGSA-N -1 0 303.311 -0.441 20 0 DBADRM COC/C(C)=C/C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001599155802 1017533205 /nfs/dbraw/zinc/53/32/05/1017533205.db2.gz NPDDKDRQFQNZHT-NAZIUFLLSA-N -1 0 305.352 -0.321 20 0 DBADRM COC[C@](C)(NC(=O)NCC(=O)NCC(=O)[O-])C(F)(F)F ZINC001599152556 1017533333 /nfs/dbraw/zinc/53/33/33/1017533333.db2.gz QCTOTFJFEZQBKY-VIFPVBQESA-N -1 0 315.248 -0.546 20 0 DBADRM COC[C@](C)(O)CCNC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001599157292 1017534078 /nfs/dbraw/zinc/53/40/78/1017534078.db2.gz YIJHTZSQLIFTGB-GIPNMCIBSA-N -1 0 304.343 -0.343 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599156392 1017534399 /nfs/dbraw/zinc/53/43/99/1017534399.db2.gz BCGSTUGQBCDZMO-KOLCDFICSA-N -1 0 316.354 -0.931 20 0 DBADRM COC[C@](C)(O)C(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001599157014 1017535717 /nfs/dbraw/zinc/53/57/17/1017535717.db2.gz UMBQRXQHARUAOC-ZDUSSCGKSA-N -1 0 315.366 -0.008 20 0 DBADRM COC[C@H](CCNC(=O)NCCn1cc(C(=O)[O-])nn1)OC ZINC001599162775 1017536570 /nfs/dbraw/zinc/53/65/70/1017536570.db2.gz JLDWSQQPYYOYAV-VIFPVBQESA-N -1 0 315.330 -0.673 20 0 DBADRM COC[C@@H](CCO)NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599163525 1017538175 /nfs/dbraw/zinc/53/81/75/1017538175.db2.gz LYXBNTIDFOUBOV-MRVPVSSYSA-N -1 0 307.324 -0.038 20 0 DBADRM COC[C@H](CCNC(=O)N1CC[C@@](OC)(C(=O)[O-])C1)OC ZINC001599163115 1017538204 /nfs/dbraw/zinc/53/82/04/1017538204.db2.gz YIMAOIYUOXWECE-GWCFXTLKSA-N -1 0 304.343 -0.077 20 0 DBADRM COC[C@H](CNS(=O)(=O)c1cccnc1C(=O)[O-])OC ZINC001599166716 1017539445 /nfs/dbraw/zinc/53/94/45/1017539445.db2.gz PNESZHGYQDXUPZ-QMMMGPOBSA-N -1 0 304.324 -0.281 20 0 DBADRM COCC(COC)S(=O)(=O)N[C@@](C)(CCF)C(=O)[O-] ZINC001599166963 1017539546 /nfs/dbraw/zinc/53/95/46/1017539546.db2.gz SJWGXPSOTZLJAV-JTQLQIEISA-N -1 0 301.336 -0.230 20 0 DBADRM COC[C@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC001599167558 1017539982 /nfs/dbraw/zinc/53/99/82/1017539982.db2.gz LFZOAERIHQDIER-QMMMGPOBSA-N -1 0 315.326 -0.687 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CCc2nnc(C3CC3)n2C1)C(=O)[O-] ZINC001599168209 1017540104 /nfs/dbraw/zinc/54/01/04/1017540104.db2.gz VHCHXXLRZVXWIG-NXEZZACHSA-N -1 0 308.338 -0.066 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(N)=O ZINC001599177290 1017544059 /nfs/dbraw/zinc/54/40/59/1017544059.db2.gz JFCWITBZMCKHAS-VIFPVBQESA-N -1 0 302.308 -0.837 20 0 DBADRM COC[C@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)C(N)=O ZINC001599170822 1017541054 /nfs/dbraw/zinc/54/10/54/1017541054.db2.gz BSIKILCMZKIMNL-LURJTMIESA-N -1 0 302.312 -0.608 20 0 DBADRM COC[C@@H](NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C(C)C ZINC001599169645 1017541163 /nfs/dbraw/zinc/54/11/63/1017541163.db2.gz MJVTULHFSFHBFC-MXWKQRLJSA-N -1 0 316.354 -0.526 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC001599169127 1017541483 /nfs/dbraw/zinc/54/14/83/1017541483.db2.gz SMTWYWQKNUSJGC-VIFPVBQESA-N -1 0 324.289 -0.639 20 0 DBADRM COC[C@H](NC(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-])[C@@H]1CCCO1 ZINC001599172672 1017541660 /nfs/dbraw/zinc/54/16/60/1017541660.db2.gz CUGSWXAICUVZHO-BJDJZHNGSA-N -1 0 316.354 -0.031 20 0 DBADRM COC[C@H](N[C@H](C(=O)OC)c1cccc(C(=O)[O-])c1)C(N)=O ZINC001599174310 1017541731 /nfs/dbraw/zinc/54/17/31/1017541731.db2.gz VPIGATWUFVJSRY-QWRGUYRKSA-N -1 0 310.306 -0.311 20 0 DBADRM COC[C@H](NC(=O)c1ccc(CN2CCOCC2)cn1)C(=O)[O-] ZINC001599171945 1017541869 /nfs/dbraw/zinc/54/18/69/1017541869.db2.gz QNCAKNQIXAYDDY-ZDUSSCGKSA-N -1 0 323.349 -0.257 20 0 DBADRM COC[C@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)C(N)=O ZINC001599171787 1017542247 /nfs/dbraw/zinc/54/22/47/1017542247.db2.gz YBJIHOUMEKAWRR-JTQLQIEISA-N -1 0 311.294 -0.228 20 0 DBADRM COC[C@@H](NC(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-])[C@H]1CCCO1 ZINC001599172674 1017542349 /nfs/dbraw/zinc/54/23/49/1017542349.db2.gz CUGSWXAICUVZHO-QCNOEVLYSA-N -1 0 316.354 -0.031 20 0 DBADRM COC[C@H](NC(=O)COCCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001599169332 1017542569 /nfs/dbraw/zinc/54/25/69/1017542569.db2.gz VMGZUBLRQOGECI-VIFPVBQESA-N -1 0 320.342 -0.257 20 0 DBADRM COC[C@H](NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1)C(C)C ZINC001599169724 1017542676 /nfs/dbraw/zinc/54/26/76/1017542676.db2.gz NNDAZRKBAPTXDO-QWRGUYRKSA-N -1 0 316.354 -0.524 20 0 DBADRM COC[C@@H](NC(=O)c1cn(C)nc1-c1cnn(C)c1)C(=O)[O-] ZINC001599175950 1017544480 /nfs/dbraw/zinc/54/44/80/1017544480.db2.gz RJPZDCZKJXJYGN-SNVBAGLBSA-N -1 0 307.310 -0.350 20 0 DBADRM COC[C@H](O)C(=O)OCC(=O)N(C)c1ccccc1C(=O)[O-] ZINC001599178439 1017544524 /nfs/dbraw/zinc/54/45/24/1017544524.db2.gz QLIWRKCAZBQADA-NSHDSACASA-N -1 0 311.290 -0.102 20 0 DBADRM COC[C@@H](O)CCNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001599178263 1017544707 /nfs/dbraw/zinc/54/47/07/1017544707.db2.gz MZDQCJWSSRRBMC-QMMMGPOBSA-N -1 0 313.310 -0.527 20 0 DBADRM CCC(=O)N(C)C[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001497920421 1017546104 /nfs/dbraw/zinc/54/61/04/1017546104.db2.gz TWYYYVOHNVBBED-VIFPVBQESA-N -1 0 311.342 -0.594 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCCN1C(=O)COCC(=O)OC ZINC001599184015 1017546489 /nfs/dbraw/zinc/54/64/89/1017546489.db2.gz PDZRZARAMVQIAO-CYBMUJFWSA-N -1 0 303.311 -0.342 20 0 DBADRM COC[C@H](OC)C(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001599181014 1017546741 /nfs/dbraw/zinc/54/67/41/1017546741.db2.gz FROHRLKYCOJMCP-ZJUUUORDSA-N -1 0 324.337 -0.469 20 0 DBADRM COC[C@H](OC)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001599182623 1017547638 /nfs/dbraw/zinc/54/76/38/1017547638.db2.gz PLFYMEAMPDHAKY-JTQLQIEISA-N -1 0 300.311 -0.130 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@]1(F)CCS(=O)(=O)C1 ZINC001599190204 1017548676 /nfs/dbraw/zinc/54/86/76/1017548676.db2.gz GQKAGJAXUBHYTP-VXGBXAGGSA-N -1 0 323.342 -0.395 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCCN1Cc1nnc2c(=O)[nH]ccn12 ZINC001599191400 1017548868 /nfs/dbraw/zinc/54/88/68/1017548868.db2.gz SJCIDBDCHRYAIS-CQSZACIVSA-N -1 0 321.337 -0.127 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001599191262 1017549003 /nfs/dbraw/zinc/54/90/03/1017549003.db2.gz WXCJWOIUOGYNNJ-RWEMILLDSA-N -1 0 300.311 -0.889 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CC1SC(=N)NC1=O ZINC001599190861 1017549197 /nfs/dbraw/zinc/54/91/97/1017549197.db2.gz LRSIYRQMCFACIM-JMCQJSRRSA-N -1 0 315.351 -0.365 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H](NC(N)=O)C(C)C ZINC001599190613 1017549349 /nfs/dbraw/zinc/54/93/49/1017549349.db2.gz LNLGRQJECWHLHF-ZANVPECISA-N -1 0 301.343 -0.229 20 0 DBADRM COC[C@@]1(CO)CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001599200503 1017550031 /nfs/dbraw/zinc/55/00/31/1017550031.db2.gz FTTMUJQANJHDSK-NSHDSACASA-N -1 0 319.339 -0.873 20 0 DBADRM COCC1(S(=O)(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])CC1 ZINC001599202218 1017550630 /nfs/dbraw/zinc/55/06/30/1017550630.db2.gz XZFHYQCLIVZEOR-NSHDSACASA-N -1 0 317.367 -0.175 20 0 DBADRM COCC1(O)CCN(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])CC1 ZINC001599201339 1017550639 /nfs/dbraw/zinc/55/06/39/1017550639.db2.gz GJXLNBACOFWHRV-QWRGUYRKSA-N -1 0 316.354 -0.341 20 0 DBADRM COCC1(CS(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])CCC1 ZINC001599200920 1017550804 /nfs/dbraw/zinc/55/08/04/1017550804.db2.gz KTPJLEISIUEMHU-ZJUUUORDSA-N -1 0 307.368 -0.347 20 0 DBADRM COC[C@@H]1CCN(C(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)C1 ZINC001599203867 1017551082 /nfs/dbraw/zinc/55/10/82/1017551082.db2.gz OIFFLBFQAFZLSU-QMTHXVAHSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@]1(CO)CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1 ZINC001599200231 1017551312 /nfs/dbraw/zinc/55/13/12/1017551312.db2.gz CCJHJLFSJLKZGK-SWLSCSKDSA-N -1 0 316.398 -0.067 20 0 DBADRM COC[C@]1(CO)CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001599201492 1017551562 /nfs/dbraw/zinc/55/15/62/1017551562.db2.gz VBVXCTACICWDFX-GFCCVEGCSA-N -1 0 309.384 -0.242 20 0 DBADRM COC[C@H]1CN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C[C@H](C)O1 ZINC001599205953 1017552454 /nfs/dbraw/zinc/55/24/54/1017552454.db2.gz VJMDLFVUDVKJNE-WDEREUQCSA-N -1 0 324.333 -0.191 20 0 DBADRM COC[C@H]1CCN(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])C1 ZINC001599205854 1017552493 /nfs/dbraw/zinc/55/24/93/1017552493.db2.gz WPTFLSXJVWPCLV-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC001599205555 1017552608 /nfs/dbraw/zinc/55/26/08/1017552608.db2.gz NREJVPSBEOOWIB-DBIOUOCHSA-N -1 0 307.368 -0.085 20 0 DBADRM COC[C@@H]1CCCN1C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001599204133 1017552695 /nfs/dbraw/zinc/55/26/95/1017552695.db2.gz UFJYGZISLZWVLG-QMMMGPOBSA-N -1 0 310.310 -0.306 20 0 DBADRM COC[C@H]1COCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001599207339 1017552966 /nfs/dbraw/zinc/55/29/66/1017552966.db2.gz KIGSOXMWWRSHCB-ZETCQYMHSA-N -1 0 322.364 -0.123 20 0 DBADRM COC[C@@H]1CCN(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])C1 ZINC001599205850 1017553302 /nfs/dbraw/zinc/55/33/02/1017553302.db2.gz WPTFLSXJVWPCLV-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC001599206386 1017553349 /nfs/dbraw/zinc/55/33/49/1017553349.db2.gz JFJGETSDUHNIRO-DCAQKATOSA-N -1 0 314.338 -0.818 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CCO1 ZINC001599206657 1017553385 /nfs/dbraw/zinc/55/33/85/1017553385.db2.gz PHDKNMGEYORPKH-QWRGUYRKSA-N -1 0 312.322 -0.850 20 0 DBADRM COC[C@H]1CCCN1NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001599204341 1017553546 /nfs/dbraw/zinc/55/35/46/1017553546.db2.gz ZUPDACVIEFLWEI-SNVBAGLBSA-N -1 0 309.322 -0.312 20 0 DBADRM COC[C@H]1CCCN1C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001599204132 1017553679 /nfs/dbraw/zinc/55/36/79/1017553679.db2.gz UFJYGZISLZWVLG-MRVPVSSYSA-N -1 0 310.310 -0.306 20 0 DBADRM COC[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599203907 1017553740 /nfs/dbraw/zinc/55/37/40/1017553740.db2.gz PQYRPZNEKKXVLH-VWYCJHECSA-N -1 0 314.338 -0.676 20 0 DBADRM COCC[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)OC)CO1)C(=O)[O-] ZINC001599214856 1017554718 /nfs/dbraw/zinc/55/47/18/1017554718.db2.gz LHKVFUFAXHHPBZ-AXFHLTTASA-N -1 0 317.338 -0.049 20 0 DBADRM COCC[C@H](C)NC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001599210121 1017554950 /nfs/dbraw/zinc/55/49/50/1017554950.db2.gz BQXMWRMAEFUWSC-LPEHRKFASA-N -1 0 302.327 -0.073 20 0 DBADRM COC[C@@H]1COCCN1Cn1nc(C(=O)[O-])cc1C(=O)OC ZINC001599208691 1017556109 /nfs/dbraw/zinc/55/61/09/1017556109.db2.gz YOVIXEWAONBYTR-SECBINFHSA-N -1 0 313.310 -0.327 20 0 DBADRM COCC[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1)C(=O)[O-] ZINC001599219619 1017556953 /nfs/dbraw/zinc/55/69/53/1017556953.db2.gz SHKNMYVZNYXOGI-HRDYMLBCSA-N -1 0 309.340 -0.653 20 0 DBADRM COCC[C@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-] ZINC001599215064 1017557196 /nfs/dbraw/zinc/55/71/96/1017557196.db2.gz IFTNSUZLNBNKKY-WPRPVWTQSA-N -1 0 310.310 -0.632 20 0 DBADRM COCC[C@H](NC(=O)c1cc(S(N)(=O)=O)oc1C)C(=O)[O-] ZINC001599216303 1017557331 /nfs/dbraw/zinc/55/73/31/1017557331.db2.gz NRRBFESSDMOCKD-QMMMGPOBSA-N -1 0 320.323 -0.545 20 0 DBADRM COCC[C@@]1(NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCOC1 ZINC001599219992 1017557804 /nfs/dbraw/zinc/55/78/04/1017557804.db2.gz OVLBMHQOTFPOHJ-JFGNBEQYSA-N -1 0 307.368 -0.035 20 0 DBADRM COCC[C@]1(NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCOC1 ZINC001599219993 1017558646 /nfs/dbraw/zinc/55/86/46/1017558646.db2.gz OVLBMHQOTFPOHJ-UMNHJUIQSA-N -1 0 307.368 -0.035 20 0 DBADRM COCC[C@@H](NS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-] ZINC001599218457 1017558845 /nfs/dbraw/zinc/55/88/45/1017558845.db2.gz ICIBDTBJONRIDO-MRVPVSSYSA-N -1 0 314.385 -0.428 20 0 DBADRM COCC[C@@H](NC(=O)c1cn(-c2cccnc2)nn1)C(=O)[O-] ZINC001599217334 1017558938 /nfs/dbraw/zinc/55/89/38/1017558938.db2.gz KVRQLVYUCPCXBV-SNVBAGLBSA-N -1 0 305.294 -0.118 20 0 DBADRM COCCCCCNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001599222417 1017560164 /nfs/dbraw/zinc/56/01/64/1017560164.db2.gz DVKKFQUTMDXIOV-GHMZBOCLSA-N -1 0 316.354 -0.787 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](C)/C=C/C(=O)[O-] ZINC001599229538 1017561372 /nfs/dbraw/zinc/56/13/72/1017561372.db2.gz GQYPNMDTIHRCLB-XNPJLODASA-N -1 0 308.356 -0.912 20 0 DBADRM COCCN(CC(=O)N(C)C)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001599233362 1017562412 /nfs/dbraw/zinc/56/24/12/1017562412.db2.gz LCRHSUAGNOYFKG-AOOOYVTPSA-N -1 0 322.383 -0.784 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1coc(S(C)(=O)=O)c1 ZINC001599234274 1017564337 /nfs/dbraw/zinc/56/43/37/1017564337.db2.gz PWEVVMMWDJUYMY-UHFFFAOYSA-N -1 0 305.308 -0.144 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CCN1C(=O)CCNC1=S ZINC001599234007 1017564465 /nfs/dbraw/zinc/56/44/65/1017564465.db2.gz LCUNZVHBSJXUKS-UHFFFAOYSA-N -1 0 317.367 -0.957 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CNC(=O)c1ncccc1O ZINC001599233989 1017565020 /nfs/dbraw/zinc/56/50/20/1017565020.db2.gz IHGPOKULCVEAPG-UHFFFAOYSA-N -1 0 311.294 -0.923 20 0 DBADRM COCCN(CCC(=O)[O-])CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001599236188 1017565877 /nfs/dbraw/zinc/56/58/77/1017565877.db2.gz PSSIHDGXSRCIRX-JTQLQIEISA-N -1 0 303.359 -0.998 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@]1(F)CCS(=O)(=O)C1 ZINC001599235395 1017565944 /nfs/dbraw/zinc/56/59/44/1017565944.db2.gz MRXCTSQQWRBPGJ-NSHDSACASA-N -1 0 311.331 -0.537 20 0 DBADRM COCCN1CCCN(CN2C[C@@H](C(=O)[O-])OC2=O)CC1=O ZINC001599241180 1017567520 /nfs/dbraw/zinc/56/75/20/1017567520.db2.gz YYLMZYOSVSDNGD-JTQLQIEISA-N -1 0 315.326 -0.970 20 0 DBADRM COCCN(Cc1ccnn1C)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001599240258 1017567665 /nfs/dbraw/zinc/56/76/65/1017567665.db2.gz WJYKKBDMZLMYRW-UHFFFAOYSA-N -1 0 322.325 -0.615 20 0 DBADRM COCCN1C[C@@H](C(=O)OCC(=O)C(C)(C)C(=O)[O-])CC1=O ZINC001599240584 1017568530 /nfs/dbraw/zinc/56/85/30/1017568530.db2.gz QROHYPCSXNAFJS-VIFPVBQESA-N -1 0 315.322 -0.296 20 0 DBADRM COCCN1C[C@@H](C(=O)Nc2ccc(C(=O)[O-])nn2)CC1=O ZINC001599240878 1017568679 /nfs/dbraw/zinc/56/86/79/1017568679.db2.gz SYHVRNSMMSSDLB-QMMMGPOBSA-N -1 0 308.294 -0.392 20 0 DBADRM COCCN1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC001599243816 1017569135 /nfs/dbraw/zinc/56/91/35/1017569135.db2.gz XIVLGEPHDAWGGE-UHFFFAOYSA-N -1 0 318.355 -0.939 20 0 DBADRM COCCN1C[C@@H](C(=O)OCc2cnc(C(=O)[O-])cn2)CC1=O ZINC001599240628 1017569701 /nfs/dbraw/zinc/56/97/01/1017569701.db2.gz RSEPFBXAJLEPBI-VIFPVBQESA-N -1 0 323.305 -0.287 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@@]2(CC(=O)[O-])CCOC2)CC1=O ZINC001599240833 1017569874 /nfs/dbraw/zinc/56/98/74/1017569874.db2.gz RWNXXBNZHXKYCC-IINYFYTJSA-N -1 0 314.338 -0.769 20 0 DBADRM COCCOC[C@@H](C)NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599249783 1017570559 /nfs/dbraw/zinc/57/05/59/1017570559.db2.gz NWPTVPKJHIWZTJ-ZYHUDNBSSA-N -1 0 318.370 -0.095 20 0 DBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)c1cc(C(=O)[O-])on1 ZINC001599248129 1017570806 /nfs/dbraw/zinc/57/08/06/1017570806.db2.gz RCTUWBVHAWFIIA-KWQFWETISA-N -1 0 314.294 -0.077 20 0 DBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)NC1CC(C(=O)[O-])C1 ZINC001599250447 1017571159 /nfs/dbraw/zinc/57/11/59/1017571159.db2.gz WYOBERIYLUQRTH-MMVSWEMESA-N -1 0 316.354 -0.031 20 0 DBADRM COCCOCC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001599248402 1017572339 /nfs/dbraw/zinc/57/23/39/1017572339.db2.gz XGCGOSQSRXWSTF-WDEREUQCSA-N -1 0 314.338 -0.959 20 0 DBADRM COCCOCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001599251563 1017573841 /nfs/dbraw/zinc/57/38/41/1017573841.db2.gz NZRUCVDWZOXDMT-STQMWFEESA-N -1 0 314.382 -0.096 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001599251814 1017574654 /nfs/dbraw/zinc/57/46/54/1017574654.db2.gz ZSRSFRQGKKWWPB-VHSXEESVSA-N -1 0 302.327 -0.913 20 0 DBADRM COCCOCCc1ncc(C(=O)NC[C@H](F)C(=O)[O-])[nH]1 ZINC001599251393 1017574701 /nfs/dbraw/zinc/57/47/01/1017574701.db2.gz HJOYZQKMPAVINF-QMMMGPOBSA-N -1 0 303.290 -0.232 20 0 DBADRM COCCOCCn1nnnc1N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC001599251819 1017574996 /nfs/dbraw/zinc/57/49/96/1017574996.db2.gz QJTKFMGBWHOKIU-ZWNOBZJWSA-N -1 0 313.358 -0.117 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001599262539 1017575510 /nfs/dbraw/zinc/57/55/10/1017575510.db2.gz YDOYAIOCCRMQOX-WDEREUQCSA-N -1 0 319.379 -0.383 20 0 DBADRM COCCc1cc(NC(=O)NC[C@@H](O)CC(=O)[O-])n(C)n1 ZINC001599266685 1017575937 /nfs/dbraw/zinc/57/59/37/1017575937.db2.gz WTJBBTFZSZJOAY-VIFPVBQESA-N -1 0 300.315 -0.434 20 0 DBADRM COCCc1noc(CN(C)C(=O)Cn2cc(C(=O)[O-])cn2)n1 ZINC001599264988 1017576340 /nfs/dbraw/zinc/57/63/40/1017576340.db2.gz LOALPCGHCOPIMQ-UHFFFAOYSA-N -1 0 323.309 -0.188 20 0 DBADRM COCCn1cc(CNC(=O)c2cnc(C(=O)[O-])cn2)cn1 ZINC001599271266 1017576543 /nfs/dbraw/zinc/57/65/43/1017576543.db2.gz LVFGLQOUHQABHV-UHFFFAOYSA-N -1 0 305.294 -0.052 20 0 DBADRM COCCn1cc(C(=O)NC[C@H](F)C(=O)[O-])c(=O)cc1C ZINC001599272290 1017577779 /nfs/dbraw/zinc/57/77/79/1017577779.db2.gz YBCVKPJECWNDMX-JTQLQIEISA-N -1 0 300.286 -0.044 20 0 DBADRM COC[C@@H](O)CNC(=O)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001599275744 1017578435 /nfs/dbraw/zinc/57/84/35/1017578435.db2.gz GHIIDLKGMCAGCM-ZETCQYMHSA-N -1 0 316.335 -0.183 20 0 DBADRM COCCn1cc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])cn1 ZINC001599271808 1017578708 /nfs/dbraw/zinc/57/87/08/1017578708.db2.gz LPVOWTLDIYHNBB-LLVKDONJSA-N -1 0 307.310 -0.391 20 0 DBADRM COC[C@@H](O)CNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001599275703 1017578944 /nfs/dbraw/zinc/57/89/44/1017578944.db2.gz DICAUNVJQMTUIW-LURJTMIESA-N -1 0 324.742 -0.281 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001599276563 1017579023 /nfs/dbraw/zinc/57/90/23/1017579023.db2.gz DXBMOFGCDMSQFD-RNFRBKRXSA-N -1 0 322.364 -0.388 20 0 DBADRM COCCn1cc(C(=O)N[C@H](CF)C(=O)[O-])c(=O)cc1C ZINC001599272497 1017579111 /nfs/dbraw/zinc/57/91/11/1017579111.db2.gz QTATVHAOFQFGGR-SNVBAGLBSA-N -1 0 300.286 -0.044 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)NC1CC(C(=O)[O-])C1)C2 ZINC001599273050 1017579148 /nfs/dbraw/zinc/57/91/48/1017579148.db2.gz DDXINGJKWUUCNE-UHFFFAOYSA-N -1 0 323.353 -0.145 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001599276663 1017579493 /nfs/dbraw/zinc/57/94/93/1017579493.db2.gz GSTYQVWEMFJXKE-ZDCRXTMVSA-N -1 0 302.327 -0.733 20 0 DBADRM COCCn1ncc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1C ZINC001599273622 1017579522 /nfs/dbraw/zinc/57/95/22/1017579522.db2.gz KHUAYUYYVKTHCS-GHMZBOCLSA-N -1 0 311.338 -0.254 20 0 DBADRM COC[C@H](O)CNC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001599277017 1017580105 /nfs/dbraw/zinc/58/01/05/1017580105.db2.gz BGRGKCLWPLEASP-DUEVMTECSA-N -1 0 316.354 -0.295 20 0 DBADRM COC[C@H](O)CNC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001599277893 1017580139 /nfs/dbraw/zinc/58/01/39/1017580139.db2.gz WUPDMNIFGZGRCH-BDAKNGLRSA-N -1 0 312.326 -0.277 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001599277813 1017580214 /nfs/dbraw/zinc/58/02/14/1017580214.db2.gz SDNILBMACCFWOK-SNVBAGLBSA-N -1 0 309.384 -0.052 20 0 DBADRM COCc1cc(NC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)ncn1 ZINC001599283459 1017580905 /nfs/dbraw/zinc/58/09/05/1017580905.db2.gz ZRVFKDSGYIUVAV-WAAGHKOSSA-N -1 0 322.321 -0.117 20 0 DBADRM COCc1ccc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])o1 ZINC001599290074 1017581310 /nfs/dbraw/zinc/58/13/10/1017581310.db2.gz ALQIJRMABINUMW-NXEZZACHSA-N -1 0 310.306 -0.007 20 0 DBADRM COCc1cncc(C(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC001599298902 1017581433 /nfs/dbraw/zinc/58/14/33/1017581433.db2.gz XZHRWCOREFNONF-NWDGAFQWSA-N -1 0 321.333 -0.205 20 0 DBADRM COCc1cncc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC001599298553 1017581945 /nfs/dbraw/zinc/58/19/45/1017581945.db2.gz HWDIVDFVNRHUIZ-LLVKDONJSA-N -1 0 307.306 -0.357 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001599276916 1017582317 /nfs/dbraw/zinc/58/23/17/1017582317.db2.gz OVSAKDDQSOHLFI-VXGBXAGGSA-N -1 0 322.317 -0.069 20 0 DBADRM COCn1nccc1S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599309405 1017582725 /nfs/dbraw/zinc/58/27/25/1017582725.db2.gz XIFCZSJJILJYLZ-VIFPVBQESA-N -1 0 319.339 -0.649 20 0 DBADRM COCc1n[nH]c(CNC(=O)N2CC[C@@](OC)(C(=O)[O-])C2)n1 ZINC001599306583 1017582864 /nfs/dbraw/zinc/58/28/64/1017582864.db2.gz ZXDAMBDVIKFFPN-LBPRGKRZSA-N -1 0 313.314 -0.664 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)c1cc(C(=O)[O-])no1)CC2 ZINC001599302278 1017583337 /nfs/dbraw/zinc/58/33/37/1017583337.db2.gz AKYKMPKTYVUEPX-SSDOTTSWSA-N -1 0 321.293 -0.145 20 0 DBADRM COCc1ncc2c(n1)CCN(Cc1cn(CC(=O)[O-])nn1)C2 ZINC001599303859 1017583545 /nfs/dbraw/zinc/58/35/45/1017583545.db2.gz AOTVEGPIISSTPG-UHFFFAOYSA-N -1 0 318.337 -0.143 20 0 DBADRM COCc1nc(NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc(OC)n1 ZINC001599302956 1017584182 /nfs/dbraw/zinc/58/41/82/1017584182.db2.gz BIFQCVNQQMHHOJ-IUCAKERBSA-N -1 0 324.337 -0.120 20 0 DBADRM COCc1nccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)n1 ZINC001599305466 1017584224 /nfs/dbraw/zinc/58/42/24/1017584224.db2.gz TZMYJWHSOHBQON-BDAKNGLRSA-N -1 0 322.321 -0.117 20 0 DBADRM COCc1nccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1 ZINC001599305217 1017584246 /nfs/dbraw/zinc/58/42/46/1017584246.db2.gz JPIIQVLGLQEHDH-SECBINFHSA-N -1 0 322.321 -0.115 20 0 DBADRM COCc1nsc(N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)n1 ZINC001599306696 1017584308 /nfs/dbraw/zinc/58/43/08/1017584308.db2.gz FZGHQQBIWSFCGH-RQJHMYQMSA-N -1 0 301.324 -0.006 20 0 DBADRM COCn1nccc1S(=O)(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001599308082 1017584358 /nfs/dbraw/zinc/58/43/58/1017584358.db2.gz IADMZWKQCXQHNT-SNVBAGLBSA-N -1 0 321.380 -0.274 20 0 DBADRM COCc1nc2n(n1)C[C@@H](Nc1ccnc(C(=O)[O-])n1)CC2 ZINC001599303424 1017584367 /nfs/dbraw/zinc/58/43/67/1017584367.db2.gz WGFNJEKOSUUECV-QMMMGPOBSA-N -1 0 304.310 -0.239 20 0 DBADRM COCc1nccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC001599305293 1017584428 /nfs/dbraw/zinc/58/44/28/1017584428.db2.gz NQPNOIVJDWCUSF-RKDXNWHRSA-N -1 0 322.321 -0.259 20 0 DBADRM COCc1noc(CNCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001599307880 1017584735 /nfs/dbraw/zinc/58/47/35/1017584735.db2.gz HHIFXQCTFOJHPT-BDAKNGLRSA-N -1 0 312.326 -0.515 20 0 DBADRM CON(C)C1CN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001599316359 1017585414 /nfs/dbraw/zinc/58/54/14/1017585414.db2.gz GGHJCVUMLXLWNQ-UHFFFAOYSA-N -1 0 301.324 -0.354 20 0 DBADRM CON(C)C(=O)[C@H](C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001599315541 1017585435 /nfs/dbraw/zinc/58/54/35/1017585435.db2.gz WZTPTYWLONEJME-LURJTMIESA-N -1 0 320.327 -0.897 20 0 DBADRM CON(C)C(=O)[C@H](C)NS(=O)(=O)c1occc1C(=O)[O-] ZINC001599314732 1017585586 /nfs/dbraw/zinc/58/55/86/1017585586.db2.gz JQVRVPQXEWHZBM-LURJTMIESA-N -1 0 306.296 -0.336 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1 ZINC001599315209 1017586478 /nfs/dbraw/zinc/58/64/78/1017586478.db2.gz PCRCRCIVXHCUOU-AEJSXWLSSA-N -1 0 302.327 -0.077 20 0 DBADRM CON1CCC(NC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CC1 ZINC001599318333 1017587017 /nfs/dbraw/zinc/58/70/17/1017587017.db2.gz JINQUMKOXMTQNU-ONGXEEELSA-N -1 0 301.343 -0.104 20 0 DBADRM CON1CCC(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC001599319072 1017587332 /nfs/dbraw/zinc/58/73/32/1017587332.db2.gz RWQCWEQYCKLQBY-LLVKDONJSA-N -1 0 301.343 -0.103 20 0 DBADRM CON1CCC(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CC1 ZINC001599318818 1017587365 /nfs/dbraw/zinc/58/73/65/1017587365.db2.gz RVDJUMZYUOTJMO-NSHDSACASA-N -1 0 316.354 -0.018 20 0 DBADRM CON1CC[C@@H](N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001599319149 1017587976 /nfs/dbraw/zinc/58/79/76/1017587976.db2.gz UDYCGSCIWGABAD-MWLCHTKSSA-N -1 0 309.326 -0.225 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)COCc1ocnc1C(=O)[O-] ZINC001599321937 1017588549 /nfs/dbraw/zinc/58/85/49/1017588549.db2.gz HWSWUCZZOWBETB-JGVFFNPUSA-N -1 0 300.267 -0.581 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599322622 1017588893 /nfs/dbraw/zinc/58/88/93/1017588893.db2.gz OIOQFLQJSFBHOY-NXEZZACHSA-N -1 0 317.342 -0.930 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)Nc2sccc2C(=O)[O-])C[C@H]1O ZINC001599322421 1017589173 /nfs/dbraw/zinc/58/91/73/1017589173.db2.gz MSYZAWUBXKNXJY-HTQZYQBOSA-N -1 0 314.319 -0.397 20 0 DBADRM CON1CCC(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001599320273 1017589693 /nfs/dbraw/zinc/58/96/93/1017589693.db2.gz LOXNCBDHXAVSNR-UHFFFAOYSA-N -1 0 321.399 -0.357 20 0 DBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599322356 1017589898 /nfs/dbraw/zinc/58/98/98/1017589898.db2.gz OGVNHAOWBHZTGX-JGVFFNPUSA-N -1 0 305.308 -0.022 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC001599781444 1017632570 /nfs/dbraw/zinc/63/25/70/1017632570.db2.gz NLWTYJQJXBZOFH-UHFFFAOYSA-N -1 0 300.358 -0.818 20 0 DBADRM CO[C@H]1CCN(C(=O)C(=O)NCc2ncc(C(=O)[O-])s2)C1 ZINC001599325676 1017591326 /nfs/dbraw/zinc/59/13/26/1017591326.db2.gz QTDCRXYXSUPZDI-ZETCQYMHSA-N -1 0 313.335 -0.295 20 0 DBADRM COc1c(F)ccc(F)c1C(=O)NCC(=O)NCC(=O)[O-] ZINC001599335820 1017592208 /nfs/dbraw/zinc/59/22/08/1017592208.db2.gz PYUAMGKXIMMFRM-UHFFFAOYSA-N -1 0 302.233 -0.096 20 0 DBADRM CO[C@@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C[C@@H]1OC ZINC001599325477 1017593000 /nfs/dbraw/zinc/59/30/00/1017593000.db2.gz FAOGBQIYHLKADJ-CHWFTXMASA-N -1 0 302.327 -0.469 20 0 DBADRM COc1c(NC(=O)C(=O)NCCCC(N)=O)cccc1C(=O)[O-] ZINC001599338777 1017594365 /nfs/dbraw/zinc/59/43/65/1017594365.db2.gz ZMTQSRGCIMNADM-UHFFFAOYSA-N -1 0 323.305 -0.286 20 0 DBADRM COc1cc(C(=O)N(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])ncn1 ZINC001599349980 1017594592 /nfs/dbraw/zinc/59/45/92/1017594592.db2.gz PIWAYVCSMUTVRR-DTWKUNHWSA-N -1 0 322.321 -0.606 20 0 DBADRM COc1c(NC(=O)C(=O)N[C@H](C)CC(N)=O)cccc1C(=O)[O-] ZINC001599337243 1017594991 /nfs/dbraw/zinc/59/49/91/1017594991.db2.gz SPJKVBSUJWFIBZ-SSDOTTSWSA-N -1 0 323.305 -0.288 20 0 DBADRM COc1cc(C(=O)NCC(=O)NCC(=O)[O-])cc(OC)c1O ZINC001599353833 1017595007 /nfs/dbraw/zinc/59/50/07/1017595007.db2.gz OSGVBBXJWHVCMB-UHFFFAOYSA-N -1 0 312.278 -0.660 20 0 DBADRM COc1c(NC(=O)CN2CCNC(=O)C2)cccc1C(=O)[O-] ZINC001599337188 1017595280 /nfs/dbraw/zinc/59/52/80/1017595280.db2.gz HJCKIBBONHPHHJ-UHFFFAOYSA-N -1 0 307.306 -0.236 20 0 DBADRM COc1cc(C(=O)[O-])ccc1OC(=O)CN1CCNC(=O)C1 ZINC001599379116 1017595326 /nfs/dbraw/zinc/59/53/26/1017595326.db2.gz VCRWXHKIMWIBJI-UHFFFAOYSA-N -1 0 308.290 -0.269 20 0 DBADRM COc1cc(=O)[nH]cc1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001599348798 1017595491 /nfs/dbraw/zinc/59/54/91/1017595491.db2.gz HHKQMQQQLCTMRE-UHFFFAOYSA-N -1 0 319.277 -0.217 20 0 DBADRM COc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])nn1C ZINC001599351049 1017595753 /nfs/dbraw/zinc/59/57/53/1017595753.db2.gz NZTDGGBHWULABN-SECBINFHSA-N -1 0 310.310 -0.766 20 0 DBADRM COc1cc(C(=O)N(CCC(=O)[O-])CC(OC)OC)nn1C ZINC001599350751 1017595766 /nfs/dbraw/zinc/59/57/66/1017595766.db2.gz SQYXZEVDKFRWRS-UHFFFAOYSA-N -1 0 315.326 -0.036 20 0 DBADRM COc1cc(NC(=O)C(=O)NCCO)c(C(=O)[O-])cc1OC ZINC001599429877 1017597097 /nfs/dbraw/zinc/59/70/97/1017597097.db2.gz SITUHEPXICDUAE-UHFFFAOYSA-N -1 0 312.278 -0.551 20 0 DBADRM COc1cc(C)ccc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001599393144 1017597185 /nfs/dbraw/zinc/59/71/85/1017597185.db2.gz HNDOJARWHOLLKZ-SECBINFHSA-N -1 0 310.306 -0.106 20 0 DBADRM COc1cc(F)cc(F)c1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC001599426029 1017597241 /nfs/dbraw/zinc/59/72/41/1017597241.db2.gz WLNWDGFPNSYHPG-SSDOTTSWSA-N -1 0 311.262 -0.303 20 0 DBADRM COc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)C(N)=O ZINC001599424408 1017597759 /nfs/dbraw/zinc/59/77/59/1017597759.db2.gz NSFRXGPIERVHKG-RXMQYKEDSA-N -1 0 320.298 -0.315 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)ncn1 ZINC001599428763 1017597767 /nfs/dbraw/zinc/59/77/67/1017597767.db2.gz MSAOTHPYSXCYER-MRVPVSSYSA-N -1 0 324.293 -0.874 20 0 DBADRM COc1cc(CC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])ccc1O ZINC001599396855 1017597814 /nfs/dbraw/zinc/59/78/14/1017597814.db2.gz PAPFXPGHNZEXGG-SNVBAGLBSA-N -1 0 322.317 -0.303 20 0 DBADRM COc1cc(CC(=O)NCCn2cc(C(=O)[O-])nn2)ccn1 ZINC001599399790 1017598071 /nfs/dbraw/zinc/59/80/71/1017598071.db2.gz DBZSXQPPSYDEBV-UHFFFAOYSA-N -1 0 305.294 -0.261 20 0 DBADRM COc1cc(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)nn1C ZINC001599429030 1017598123 /nfs/dbraw/zinc/59/81/23/1017598123.db2.gz PPWNVAMMPUWMEQ-MTBHXBHISA-N -1 0 308.294 -0.844 20 0 DBADRM COc1cc(CNC(=O)NCCC(=O)NCCC(=O)[O-])ccn1 ZINC001599411218 1017598212 /nfs/dbraw/zinc/59/82/12/1017598212.db2.gz HPPSPZDASGCMJY-UHFFFAOYSA-N -1 0 324.337 -0.130 20 0 DBADRM COc1ccc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)nn1 ZINC001599480704 1017600014 /nfs/dbraw/zinc/60/00/14/1017600014.db2.gz JNCOLYHKNOSOQE-CYBMUJFWSA-N -1 0 306.278 -0.069 20 0 DBADRM COc1cc[nH]c(=O)c1C(=O)NCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001599467202 1017600078 /nfs/dbraw/zinc/60/00/78/1017600078.db2.gz YHNJAPJIDKAOKW-SFYZADRCSA-N -1 0 323.305 -0.638 20 0 DBADRM COc1ccc(C(=O)O[C@H](C)C(=O)C(=O)[O-])cc1-n1cnnn1 ZINC001599504141 1017600558 /nfs/dbraw/zinc/60/05/58/1017600558.db2.gz UJLLVGAJOJDNGP-SSDOTTSWSA-N -1 0 320.261 -0.130 20 0 DBADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)N[C@@H]2COC(=O)C2)c1 ZINC001599494581 1017600916 /nfs/dbraw/zinc/60/09/16/1017600916.db2.gz MXOPTRIYDYPABO-ZETCQYMHSA-N -1 0 315.303 -0.013 20 0 DBADRM COc1cc2c(cc1C(=O)OCC(=O)NCC(=O)[O-])OCO2 ZINC001599463832 1017600946 /nfs/dbraw/zinc/60/09/46/1017600946.db2.gz WTTALTFHSOTQDG-UHFFFAOYSA-N -1 0 311.246 -0.219 20 0 DBADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CCNC(=O)CO)cc1 ZINC001599509891 1017601108 /nfs/dbraw/zinc/60/11/08/1017601108.db2.gz FNWZYZVRNSPHDL-GFCCVEGCSA-N -1 0 324.333 -0.174 20 0 DBADRM COc1ccc([C@@H](NC(=O)[C@@H]2COC(=O)N2)C(=O)[O-])cc1O ZINC001599522099 1017601892 /nfs/dbraw/zinc/60/18/92/1017601892.db2.gz KLFDXGNFEIRZOG-OIBJUYFYSA-N -1 0 310.262 -0.249 20 0 DBADRM COc1ccc(CN(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001599558891 1017602781 /nfs/dbraw/zinc/60/27/81/1017602781.db2.gz NUDWLKUMRRHZRF-QWRGUYRKSA-N -1 0 308.338 -0.246 20 0 DBADRM COc1ccc(CNC(=O)/C=C/C(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC001599565625 1017602922 /nfs/dbraw/zinc/60/29/22/1017602922.db2.gz SZYKQFIMBMKKBW-SYTKJHMZSA-N -1 0 322.317 -0.571 20 0 DBADRM CS(=O)(=O)CCCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001599750906 1017619816 /nfs/dbraw/zinc/61/98/16/1017619816.db2.gz RAZOATMNRRBKGM-VHSXEESVSA-N -1 0 307.368 -0.050 20 0 DBADRM COc1ccc([C@H](NC(=O)C[C@@H]2CC(=O)N2)C(=O)[O-])cc1O ZINC001599520697 1017603714 /nfs/dbraw/zinc/60/37/14/1017603714.db2.gz VFMBREWPMSJFDC-SDBXPKJASA-N -1 0 308.290 -0.079 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N2CCOCC2)cc1C(=O)[O-] ZINC001599564036 1017603877 /nfs/dbraw/zinc/60/38/77/1017603877.db2.gz YWSFXSSZYZKKOL-UHFFFAOYSA-N -1 0 322.317 -0.132 20 0 DBADRM COc1ccc(F)cc1S(=O)(=O)N[C@](C)(CO)C(=O)[O-] ZINC001599583267 1017603941 /nfs/dbraw/zinc/60/39/41/1017603941.db2.gz RAIHEEUBVPPNAF-LLVKDONJSA-N -1 0 307.299 -0.052 20 0 DBADRM COc1ccc(CN(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001599558890 1017604208 /nfs/dbraw/zinc/60/42/08/1017604208.db2.gz NUDWLKUMRRHZRF-MNOVXSKESA-N -1 0 308.338 -0.246 20 0 DBADRM COc1ccc([C@@H](NCC(=O)N2CCNC2=O)C(=O)[O-])cc1O ZINC001599528453 1017604230 /nfs/dbraw/zinc/60/42/30/1017604230.db2.gz VQFMLTZLDCAHEJ-GFCCVEGCSA-N -1 0 323.305 -0.332 20 0 DBADRM COc1ccc(S(=O)(=O)NCCC(N)=O)c(C(=O)[O-])c1 ZINC001599615751 1017605833 /nfs/dbraw/zinc/60/58/33/1017605833.db2.gz QXEKHGSJDHHDGL-UHFFFAOYSA-N -1 0 302.308 -0.453 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)cn1 ZINC001599588719 1017606028 /nfs/dbraw/zinc/60/60/28/1017606028.db2.gz RFRCYTHZNWHSCM-WPRPVWTQSA-N -1 0 323.305 -0.271 20 0 DBADRM COc1ccc(NC(=O)C[C@@H]2NC(=O)NC2=O)c(C(=O)[O-])c1 ZINC001599592000 1017606342 /nfs/dbraw/zinc/60/63/42/1017606342.db2.gz UKEULYXXLLKFBR-VIFPVBQESA-N -1 0 307.262 -0.070 20 0 DBADRM COc1cccc(-n2cc(C(=O)NC[C@@H](O)CC(=O)[O-])nn2)c1 ZINC001599642007 1017606597 /nfs/dbraw/zinc/60/65/97/1017606597.db2.gz RYEVDIWHPWBHKS-JTQLQIEISA-N -1 0 320.305 -0.159 20 0 DBADRM COc1ccc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cn1 ZINC001599614368 1017606676 /nfs/dbraw/zinc/60/66/76/1017606676.db2.gz RZWABPLAMHJLLA-KOLCDFICSA-N -1 0 316.335 -0.311 20 0 DBADRM COc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](O)C2)c(C(=O)[O-])c1 ZINC001599589773 1017606779 /nfs/dbraw/zinc/60/67/79/1017606779.db2.gz RLYPPZULWRXEGM-OCAPTIKFSA-N -1 0 308.290 -0.029 20 0 DBADRM COc1ccc2c(c1)c(=O)ncn2CC(=O)NCCC(=O)[O-] ZINC001599632135 1017606829 /nfs/dbraw/zinc/60/68/29/1017606829.db2.gz NLSLLJBFEDJLRO-UHFFFAOYSA-N -1 0 305.290 -0.004 20 0 DBADRM COc1ccccc1C(=O)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001599696069 1017607773 /nfs/dbraw/zinc/60/77/73/1017607773.db2.gz OLCGKJFJEQKXAV-JTQLQIEISA-N -1 0 320.301 -0.320 20 0 DBADRM COc1cccc(CCNC(=O)C(=O)NC[C@H](F)C(=O)[O-])c1 ZINC001599672495 1017608067 /nfs/dbraw/zinc/60/80/67/1017608067.db2.gz UNZFNPOUSQIKBA-NSHDSACASA-N -1 0 312.297 -0.107 20 0 DBADRM COc1ccccc1[C@H](OC(=O)CN1CCNC(=O)C1)C(=O)[O-] ZINC001599702137 1017609443 /nfs/dbraw/zinc/60/94/43/1017609443.db2.gz USFGNCHPKCPDRG-AWEZNQCLSA-N -1 0 322.317 -0.204 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=S)NCCCC(=O)[O-])C1 ZINC001599755621 1017623530 /nfs/dbraw/zinc/62/35/30/1017623530.db2.gz IYKOCIZRJXRMOZ-QMMMGPOBSA-N -1 0 309.413 -0.651 20 0 DBADRM COc1cnc(NC(=O)C(=O)N[C@]2(CC(=O)[O-])CCOC2)nc1 ZINC001599724668 1017610317 /nfs/dbraw/zinc/61/03/17/1017610317.db2.gz MERFRVIQTGIXMQ-ZDUSSCGKSA-N -1 0 324.293 -0.826 20 0 DBADRM COc1cnc(F)c(NC(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001599725121 1017610821 /nfs/dbraw/zinc/61/08/21/1017610821.db2.gz XKAKFKOQIUGBFF-UHFFFAOYSA-N -1 0 300.246 -0.448 20 0 DBADRM COc1cncc(C(=O)NCCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001599726921 1017611275 /nfs/dbraw/zinc/61/12/75/1017611275.db2.gz YOJQHRFAOGSPOW-IUCAKERBSA-N -1 0 322.321 -0.558 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nc1 ZINC001599725109 1017611366 /nfs/dbraw/zinc/61/13/66/1017611366.db2.gz WVBZZKQZTNLYOO-WCBMZHEXSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1cncc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001599726076 1017611445 /nfs/dbraw/zinc/61/14/45/1017611445.db2.gz WXKUUZHFEKBJDH-DTWKUNHWSA-N -1 0 320.305 -0.854 20 0 DBADRM COc1cnc(C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)nc1 ZINC001599723876 1017611461 /nfs/dbraw/zinc/61/14/61/1017611461.db2.gz XARYPLYGAHLFCV-JTQLQIEISA-N -1 0 311.294 -0.133 20 0 DBADRM COc1cncc(NC(=O)Cn2cccc(C(=O)[O-])c2=O)n1 ZINC001599727382 1017611547 /nfs/dbraw/zinc/61/15/47/1017611547.db2.gz YNLUKEZHJRSXFP-UHFFFAOYSA-N -1 0 304.262 -0.016 20 0 DBADRM COc1cnc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c(F)c1 ZINC001599722965 1017611582 /nfs/dbraw/zinc/61/15/82/1017611582.db2.gz BICANTLGJGAXQQ-VIFPVBQESA-N -1 0 311.269 -0.355 20 0 DBADRM COc1nc(C)ccc1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001599729304 1017611596 /nfs/dbraw/zinc/61/15/96/1017611596.db2.gz CTWMSJTUYLUXFV-SNVBAGLBSA-N -1 0 307.306 -0.234 20 0 DBADRM COc1cncc(C(=O)NCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001599727049 1017611682 /nfs/dbraw/zinc/61/16/82/1017611682.db2.gz ZPNXRVVQZWTZGR-IUCAKERBSA-N -1 0 322.321 -0.606 20 0 DBADRM COc1cccn2c(=O)n(CCn3cc(C(=O)[O-])nn3)nc12 ZINC001599719690 1017611728 /nfs/dbraw/zinc/61/17/28/1017611728.db2.gz XXUPFIKRLVBUMI-UHFFFAOYSA-N -1 0 304.266 -0.506 20 0 DBADRM COc1cnc(NC(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)nc1 ZINC001599725072 1017611771 /nfs/dbraw/zinc/61/17/71/1017611771.db2.gz VHDJEPLMOGQNAK-QMMMGPOBSA-N -1 0 306.278 -0.287 20 0 DBADRM COc1cnc(NC(=O)C(=O)NCCOCC(=O)[O-])s1 ZINC001599724679 1017611968 /nfs/dbraw/zinc/61/19/68/1017611968.db2.gz MRYHKUVSIQULGS-UHFFFAOYSA-N -1 0 303.296 -0.692 20 0 DBADRM COc1ncc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cn1 ZINC001599732808 1017613277 /nfs/dbraw/zinc/61/32/77/1017613277.db2.gz AOQQMVRROPVHTK-UHFFFAOYSA-N -1 0 304.266 -0.528 20 0 DBADRM COc1nccc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)n1 ZINC001599734497 1017613546 /nfs/dbraw/zinc/61/35/46/1017613546.db2.gz IMTFFTPMODCPNQ-UHFFFAOYSA-N -1 0 318.293 -0.763 20 0 DBADRM COc1nnccc1NC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001599738148 1017613668 /nfs/dbraw/zinc/61/36/68/1017613668.db2.gz IWEWWIOYJFRIQX-UHFFFAOYSA-N -1 0 319.281 -0.136 20 0 DBADRM COc1ncc(/C=C/C(=O)N2CCC(O)(C(=O)[O-])CC2)cn1 ZINC001599736021 1017614030 /nfs/dbraw/zinc/61/40/30/1017614030.db2.gz MGFMLNNIVMOEOY-NSCUHMNNSA-N -1 0 307.306 -0.064 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2cn(CC(=O)[O-])nn2)C1 ZINC001599744781 1017615239 /nfs/dbraw/zinc/61/52/39/1017615239.db2.gz GANBROLCNOFEPB-MWLCHTKSSA-N -1 0 316.383 -0.192 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599739199 1017616056 /nfs/dbraw/zinc/61/60/56/1017616056.db2.gz LVMPKTWONIONJC-CBAPKCEASA-N -1 0 324.293 -0.876 20 0 DBADRM CS(=O)(=O)c1nnc(CN2CCO[C@H](CC(=O)[O-])C2)s1 ZINC001599775662 1017632203 /nfs/dbraw/zinc/63/22/03/1017632203.db2.gz PGTGMQRWZSGHTI-SSDOTTSWSA-N -1 0 321.380 -0.383 20 0 DBADRM COc1nn(C)cc1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599739529 1017616216 /nfs/dbraw/zinc/61/62/16/1017616216.db2.gz PKAKGMUYBPSGKZ-BDAKNGLRSA-N -1 0 322.321 -0.910 20 0 DBADRM CS(=O)(=O)C1(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CCOCC1 ZINC001599743143 1017616579 /nfs/dbraw/zinc/61/65/79/1017616579.db2.gz CVJGGEOXHGNQPO-JTQLQIEISA-N -1 0 317.363 -0.130 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)NC1(CC(=O)[O-])CCC1 ZINC001599739380 1017616702 /nfs/dbraw/zinc/61/67/02/1017616702.db2.gz KXXSBWNVZZBCEZ-UHFFFAOYSA-N -1 0 310.310 -0.119 20 0 DBADRM CS(=O)(=O)CC(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001599747447 1017617577 /nfs/dbraw/zinc/61/75/77/1017617577.db2.gz XIQGGHCDUCNWEF-UHFFFAOYSA-N -1 0 324.318 -0.051 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(Cc2cc(C(=O)[O-])no2)CCO1 ZINC001599748487 1017618310 /nfs/dbraw/zinc/61/83/10/1017618310.db2.gz HHZJTZARJBSTBX-VIFPVBQESA-N -1 0 304.324 -0.382 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCCN(Cn2cnc(C(=O)[O-])n2)C1 ZINC001599746462 1017618396 /nfs/dbraw/zinc/61/83/96/1017618396.db2.gz ZOSQSEZOYPAAGG-SECBINFHSA-N -1 0 302.356 -0.167 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1 ZINC001599749596 1017618654 /nfs/dbraw/zinc/61/86/54/1017618654.db2.gz SYWOQEIZRWCMRQ-ZJUUUORDSA-N -1 0 320.367 -0.394 20 0 DBADRM CS(=O)(=O)CCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001599751761 1017620571 /nfs/dbraw/zinc/62/05/71/1017620571.db2.gz YCMOJVAALZTPSM-JOYOIKCWSA-N -1 0 320.367 -0.836 20 0 DBADRM CS(=O)(=O)CC(=O)OCC(=O)Nc1ccccc1C(=O)[O-] ZINC001599749735 1017620995 /nfs/dbraw/zinc/62/09/95/1017620995.db2.gz WHCOIIJJAITMNV-UHFFFAOYSA-N -1 0 315.303 -0.089 20 0 DBADRM CS(=O)(=O)CCCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001599750757 1017621084 /nfs/dbraw/zinc/62/10/84/1017621084.db2.gz HTEDNTQZKUFTSX-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM CS(=O)(=O)CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC001599751792 1017621121 /nfs/dbraw/zinc/62/11/21/1017621121.db2.gz ZSCAMZBMWQKEMH-GHMZBOCLSA-N -1 0 318.395 -0.668 20 0 DBADRM CS(=O)(=O)CCNC(=S)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599751804 1017621150 /nfs/dbraw/zinc/62/11/50/1017621150.db2.gz ZXSIUUJHELPPSC-VIFPVBQESA-N -1 0 324.424 -0.937 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001599754010 1017622249 /nfs/dbraw/zinc/62/22/49/1017622249.db2.gz LIJGBEATLDTHRG-WDEREUQCSA-N -1 0 318.395 -0.115 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)NC[C@H](CC2CC2)C(=O)[O-])C1 ZINC001599754028 1017622365 /nfs/dbraw/zinc/62/23/65/1017622365.db2.gz NEWJRODWPTXLOO-VIFPVBQESA-N -1 0 304.368 -0.505 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001599754411 1017622826 /nfs/dbraw/zinc/62/28/26/1017622826.db2.gz UFEXMLGOROCEON-VHSXEESVSA-N -1 0 320.367 -0.984 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)NCCCCCC(=O)[O-])C1 ZINC001599753719 1017623017 /nfs/dbraw/zinc/62/30/17/1017623017.db2.gz AQSASRPCIOCTGM-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)COCC(=O)[O-] ZINC001599755281 1017623355 /nfs/dbraw/zinc/62/33/55/1017623355.db2.gz JGAFVWUVIMWJPF-SECBINFHSA-N -1 0 308.356 -0.982 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001599755446 1017623485 /nfs/dbraw/zinc/62/34/85/1017623485.db2.gz IRJYHVHSDFKGCJ-UHFFFAOYSA-N -1 0 315.351 -0.180 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001599756253 1017623503 /nfs/dbraw/zinc/62/35/03/1017623503.db2.gz UZNASBLVRJHQDW-XXFSISAASA-N -1 0 316.379 -0.364 20 0 DBADRM CS(=O)(=O)N1CCC(CC(=O)NC2(C(=O)[O-])CC2)CC1 ZINC001599754291 1017623554 /nfs/dbraw/zinc/62/35/54/1017623554.db2.gz PMRZPWIQNXNSKG-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(C(=O)CCSCC(=O)[O-])C1 ZINC001599759064 1017624630 /nfs/dbraw/zinc/62/46/30/1017624630.db2.gz GEXMFAMTXNUXME-VIFPVBQESA-N -1 0 324.424 -0.408 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001599757102 1017624651 /nfs/dbraw/zinc/62/46/51/1017624651.db2.gz BZLJUPNAWMDGOQ-LMLFDSFASA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(c2cc(C(=O)[O-])ncn2)C1 ZINC001599758685 1017624960 /nfs/dbraw/zinc/62/49/60/1017624960.db2.gz UREFOOYBUYXAIG-VIFPVBQESA-N -1 0 314.367 -0.060 20 0 DBADRM CS(=O)(=O)NC1CN(Cc2ccccc2OCC(=O)[O-])C1 ZINC001599758738 1017625039 /nfs/dbraw/zinc/62/50/39/1017625039.db2.gz WEXPBTNUMLTFJL-UHFFFAOYSA-N -1 0 314.363 -0.117 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001599757269 1017625612 /nfs/dbraw/zinc/62/56/12/1017625612.db2.gz DYKSFVUOTLRQER-SFYZADRCSA-N -1 0 311.335 -0.868 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])co1 ZINC001599763921 1017626652 /nfs/dbraw/zinc/62/66/52/1017626652.db2.gz GLONRNQUYZSYPO-QMMMGPOBSA-N -1 0 303.292 -0.391 20 0 DBADRM CS(=O)(=O)NCCC(=O)OCc1noc(CCC(=O)[O-])n1 ZINC001599760749 1017627015 /nfs/dbraw/zinc/62/70/15/1017627015.db2.gz KERSECFJJWYISL-UHFFFAOYSA-N -1 0 321.311 -0.931 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C[C@H]1CCOC1)C(=O)[O-] ZINC001599762671 1017627087 /nfs/dbraw/zinc/62/70/87/1017627087.db2.gz IOKSMJDZKATQNB-VDDIYKPWSA-N -1 0 305.352 -0.583 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNS(=O)(=O)c1ccoc1)C(=O)[O-] ZINC001599763431 1017627715 /nfs/dbraw/zinc/62/77/15/1017627715.db2.gz FZPRHLPMRSXOCA-WCBMZHEXSA-N -1 0 323.348 -0.554 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)NCC2(C(=O)[O-])CC2)o1 ZINC001599760764 1017627728 /nfs/dbraw/zinc/62/77/28/1017627728.db2.gz FREJCODRBUKRNX-UHFFFAOYSA-N -1 0 316.335 -0.077 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])nn2)C1 ZINC001599763282 1017627894 /nfs/dbraw/zinc/62/78/94/1017627894.db2.gz YIONUWTWTCDWLH-LJGSYFOKSA-N -1 0 314.323 -0.128 20 0 DBADRM CS(=O)(=O)c1ccc(CN2C[C@H](O)C[C@H](C(=O)[O-])C2)o1 ZINC001599769747 1017628889 /nfs/dbraw/zinc/62/88/89/1017628889.db2.gz BZOFKOZLXVHUDM-DTWKUNHWSA-N -1 0 303.336 -0.050 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1ccc[nH]c1=O)C(=O)[O-] ZINC001599764184 1017629625 /nfs/dbraw/zinc/62/96/25/1017629625.db2.gz CCOHPXJFTVEUNA-QPUJVOFHSA-N -1 0 314.319 -0.595 20 0 DBADRM CS(=O)(=O)c1ccc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)o1 ZINC001599769746 1017629787 /nfs/dbraw/zinc/62/97/87/1017629787.db2.gz BZOFKOZLXVHUDM-BDAKNGLRSA-N -1 0 303.336 -0.050 20 0 DBADRM CS(=O)(=O)c1ccnc(NC(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001599773701 1017629931 /nfs/dbraw/zinc/62/99/31/1017629931.db2.gz JMWWPEXVRZIBAC-SSDOTTSWSA-N -1 0 317.323 -0.558 20 0 DBADRM CS(=O)(=O)c1ccc(N)c(C(=O)NC[C@H](F)C(=O)[O-])c1 ZINC001599769098 1017630050 /nfs/dbraw/zinc/63/00/50/1017630050.db2.gz AUNXGVSQWPJWRX-QMMMGPOBSA-N -1 0 304.299 -0.175 20 0 DBADRM CS(=O)(=O)c1ccc(CN2CCN(CC(=O)[O-])CC2)o1 ZINC001599770668 1017630061 /nfs/dbraw/zinc/63/00/61/1017630061.db2.gz UWTMONLRSJVEMQ-UHFFFAOYSA-N -1 0 302.352 -0.115 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NCC[C@H](O)C(=O)[O-])c(N)c1 ZINC001599768670 1017630114 /nfs/dbraw/zinc/63/01/14/1017630114.db2.gz WCAIHUQZXIUHKB-JTQLQIEISA-N -1 0 316.335 -0.762 20 0 DBADRM C[S@@](=O)CCNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599776954 1017631267 /nfs/dbraw/zinc/63/12/67/1017631267.db2.gz NXUZYQQKBADIRT-IJSAXESFSA-N -1 0 315.355 -0.689 20 0 DBADRM CSC1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CC1 ZINC001599783165 1017631288 /nfs/dbraw/zinc/63/12/88/1017631288.db2.gz FTAXCDZXODUIQB-OIBJUYFYSA-N -1 0 307.393 -0.114 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001599777656 1017631584 /nfs/dbraw/zinc/63/15/84/1017631584.db2.gz XPLHCBLRTAFUOD-OAQYLSRUSA-N -1 0 316.310 -0.043 20 0 DBADRM C[S@](=O)CCN1CCN(C[C@@H]2[C@H](C(=O)[O-])C2(F)F)CC1 ZINC001599776392 1017631754 /nfs/dbraw/zinc/63/17/54/1017631754.db2.gz HBZCBUNXBBGMMC-ZLMDCXFVSA-N -1 0 310.366 -0.052 20 0 DBADRM CS(=O)(=O)c1nccc(C(=O)N[C@H](CCF)C(=O)[O-])n1 ZINC001599776421 1017631856 /nfs/dbraw/zinc/63/18/56/1017631856.db2.gz ZRSJGFMMIHDBOO-SSDOTTSWSA-N -1 0 305.287 -0.577 20 0 DBADRM C[S@](=O)C1(CNC(=O)C(=O)NCCCCC(=O)[O-])CCC1 ZINC001599775243 1017632004 /nfs/dbraw/zinc/63/20/04/1017632004.db2.gz KRIOAFBWYURMMK-NRFANRHFSA-N -1 0 318.395 -0.225 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001599777063 1017632165 /nfs/dbraw/zinc/63/21/65/1017632165.db2.gz OCYMHBBFYCUBKH-LJQANCHMSA-N -1 0 304.349 -0.121 20 0 DBADRM C[S@](=O)C1(CN2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)CC1 ZINC001599775374 1017632260 /nfs/dbraw/zinc/63/22/60/1017632260.db2.gz LNIUAOULQXDFMH-LEDUVTOZSA-N -1 0 300.336 -0.461 20 0 DBADRM C[S@](=O)CCNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599776955 1017632398 /nfs/dbraw/zinc/63/23/98/1017632398.db2.gz NXUZYQQKBADIRT-PPRQPISWSA-N -1 0 315.355 -0.689 20 0 DBADRM CSCC[C@H](O)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001599796366 1017633673 /nfs/dbraw/zinc/63/36/73/1017633673.db2.gz MNGFGUDMGXVNSH-VIFPVBQESA-N -1 0 300.340 -0.526 20 0 DBADRM CSC[C@@H](C)NC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599792944 1017633736 /nfs/dbraw/zinc/63/37/36/1017633736.db2.gz ROMDBPYBZPZHBZ-SCZZXKLOSA-N -1 0 318.395 -0.462 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC001599832944 1017634338 /nfs/dbraw/zinc/63/43/38/1017634338.db2.gz VXBCTHXFNAOSIR-QMMMGPOBSA-N -1 0 318.355 -0.088 20 0 DBADRM CSC[C@@H](CCO)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599792086 1017634358 /nfs/dbraw/zinc/63/43/58/1017634358.db2.gz GPFSBHPNXHIKGL-XHNCKOQMSA-N -1 0 321.399 -0.623 20 0 DBADRM CSCC[C@@H](O)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001599796365 1017634399 /nfs/dbraw/zinc/63/43/99/1017634399.db2.gz MNGFGUDMGXVNSH-SECBINFHSA-N -1 0 300.340 -0.526 20 0 DBADRM CSCC[C@H](C)NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599795177 1017634767 /nfs/dbraw/zinc/63/47/67/1017634767.db2.gz IBTZASQBJADUJU-AEJSXWLSSA-N -1 0 318.395 -0.462 20 0 DBADRM CSC[C@H](CCO)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001599792963 1017634922 /nfs/dbraw/zinc/63/49/22/1017634922.db2.gz SZEWMTAWXFGPKE-UWVGGRQHSA-N -1 0 318.395 -0.460 20 0 DBADRM CSC[C@H](C)NC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599792946 1017635098 /nfs/dbraw/zinc/63/50/98/1017635098.db2.gz ROMDBPYBZPZHBZ-WPRPVWTQSA-N -1 0 318.395 -0.462 20 0 DBADRM CSCC[C@H](C)NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001599795179 1017635150 /nfs/dbraw/zinc/63/51/50/1017635150.db2.gz IBTZASQBJADUJU-IVZWLZJFSA-N -1 0 318.395 -0.462 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)CC1OCCCO1 ZINC001599836664 1017636128 /nfs/dbraw/zinc/63/61/28/1017636128.db2.gz IOSWFGUCOZGXOA-VIFPVBQESA-N -1 0 324.337 -0.334 20 0 DBADRM C[C@@H](O)CN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001599843040 1017636456 /nfs/dbraw/zinc/63/64/56/1017636456.db2.gz QBMDUVSGTDLWFK-BXKDBHETSA-N -1 0 322.317 -0.296 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1)C(=O)N(C)C ZINC001599837371 1017636805 /nfs/dbraw/zinc/63/68/05/1017636805.db2.gz NKHVWCNIVCCJNE-SSDOTTSWSA-N -1 0 308.294 -0.689 20 0 DBADRM C[C@@H](NC(=O)C(N)=O)C1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001599837754 1017637389 /nfs/dbraw/zinc/63/73/89/1017637389.db2.gz SGRVXPAJOGRKDF-MRVPVSSYSA-N -1 0 321.337 -0.619 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)C1=COCCO1 ZINC001599836146 1017637480 /nfs/dbraw/zinc/63/74/80/1017637480.db2.gz BEHKAWNZYIHHOV-QMMMGPOBSA-N -1 0 308.294 -0.020 20 0 DBADRM C[C@@H](NS(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001599841795 1017637534 /nfs/dbraw/zinc/63/75/34/1017637534.db2.gz MHJTZNKALXUKFM-SSDOTTSWSA-N -1 0 308.356 -0.002 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F)C(=O)[O-] ZINC001599844678 1017638569 /nfs/dbraw/zinc/63/85/69/1017638569.db2.gz UBOVZPYUUNIJHW-NRFSWKIWSA-N -1 0 312.244 -0.749 20 0 DBADRM C[C@H]1CN(C(=O)C[C@H]2C=CS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001599915765 1017663911 /nfs/dbraw/zinc/66/39/11/1017663911.db2.gz SNPSIDUADMVISI-AEJSXWLSSA-N -1 0 303.336 -0.365 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)CCCO1)C(=O)[O-] ZINC001599844448 1017639356 /nfs/dbraw/zinc/63/93/56/1017639356.db2.gz YNXZQLLWTWGVJB-ITMYJUKJSA-N -1 0 317.338 -0.173 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CCn1c2ccccc2n(C)c1=O)C(=O)[O-] ZINC001599843354 1017639479 /nfs/dbraw/zinc/63/94/79/1017639479.db2.gz CIRXQXYHHFVNMA-RNCFNFMXSA-N -1 0 321.333 -0.320 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CCn2cccn2)C[C@@H](C(=O)[O-])O1 ZINC001599847896 1017639514 /nfs/dbraw/zinc/63/95/14/1017639514.db2.gz LCIKZGZBJVBTRF-MNOVXSKESA-N -1 0 324.337 -0.958 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2cnn(C)c2)C[C@H]1CC(=O)[O-] ZINC001599849805 1017640711 /nfs/dbraw/zinc/64/07/11/1017640711.db2.gz AYKBQNOIQUPMNG-MWLCHTKSSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(O)C2)C[C@@H](C(=O)[O-])O1 ZINC001599849483 1017640744 /nfs/dbraw/zinc/64/07/44/1017640744.db2.gz MPYOJFYLRMYSOZ-ISTVAULSSA-N -1 0 314.338 -0.940 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)[C@H](C)C1 ZINC001599848066 1017641252 /nfs/dbraw/zinc/64/12/52/1017641252.db2.gz DPXCDVCWXMUOLR-KKOKHZNYSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1CCCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)[C@@H]1CO ZINC001599848725 1017641263 /nfs/dbraw/zinc/64/12/63/1017641263.db2.gz RJXFQMMHFURVTQ-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C2CC2)C[C@H]1CC(=O)[O-] ZINC001599848187 1017641566 /nfs/dbraw/zinc/64/15/66/1017641566.db2.gz TWQSTCPOJWQRSD-JLLWLGSASA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CCCO)C2)C[C@H]1C(=O)[O-] ZINC001599849141 1017641881 /nfs/dbraw/zinc/64/18/81/1017641881.db2.gz GVSJBBBIYGOKCL-GRYCIOLGSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(CO)CC2)C[C@H]1CC(=O)[O-] ZINC001599849550 1017641908 /nfs/dbraw/zinc/64/19/08/1017641908.db2.gz OIXIHHBVAGUQLT-ZYHUDNBSSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC=C(F)C2)C[C@@H](C(=O)[O-])O1 ZINC001599849993 1017641912 /nfs/dbraw/zinc/64/19/12/1017641912.db2.gz UCFXSLUWGQUKHW-SCZZXKLOSA-N -1 0 300.286 -0.227 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCn3ccnc3C2)C[C@H]1C(=O)[O-] ZINC001599851348 1017643326 /nfs/dbraw/zinc/64/33/26/1017643326.db2.gz RXKVONLOCWVSJD-GMTAPVOTSA-N -1 0 320.349 -0.507 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cncnc2N(C)C)C[C@H]1C(=O)[O-] ZINC001599851894 1017643715 /nfs/dbraw/zinc/64/37/15/1017643715.db2.gz WIWZCQYZMMXPBV-RKDXNWHRSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC2CCSCC2)C[C@@H](C(=O)[O-])O1 ZINC001599851420 1017643731 /nfs/dbraw/zinc/64/37/31/1017643731.db2.gz VOCTWCDJRILKQC-SCZZXKLOSA-N -1 0 316.379 -0.301 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C[C@H]1CC(=O)[O-] ZINC001599855526 1017644138 /nfs/dbraw/zinc/64/41/38/1017644138.db2.gz ATWCFYROVNXQKG-CHWFTXMASA-N -1 0 313.354 -0.229 20 0 DBADRM C[C@@H]1CN(C(=O)CCN2C(=O)CCNC2=S)C[C@H]1C(=O)[O-] ZINC001599853234 1017644410 /nfs/dbraw/zinc/64/44/10/1017644410.db2.gz CGOKWDZVWUKSNZ-RKDXNWHRSA-N -1 0 313.379 -0.338 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1Nc1ccnc(C(=O)[O-])n1 ZINC001599863140 1017646224 /nfs/dbraw/zinc/64/62/24/1017646224.db2.gz RCEFAYQTAHCEFX-PSASIEDQSA-N -1 0 316.321 -0.108 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)O[C@H]1C(=O)[O-] ZINC001599872483 1017647548 /nfs/dbraw/zinc/64/75/48/1017647548.db2.gz YSOPCOPDEFLCSK-AFTWZWCASA-N -1 0 310.350 -0.023 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N(C)CCN2CCOCC2)O[C@H]1C(=O)[O-] ZINC001599871181 1017647718 /nfs/dbraw/zinc/64/77/18/1017647718.db2.gz QBXPYZISHODTHI-IJLUTSLNSA-N -1 0 300.355 -0.345 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N(C)CCNC(=O)N(C)C)O[C@H]1C(=O)[O-] ZINC001599871265 1017648367 /nfs/dbraw/zinc/64/83/67/1017648367.db2.gz VZNSLHRGVODPDS-OPRDCNLKSA-N -1 0 301.343 -0.406 20 0 DBADRM C[C@@H]1CN(Cn2ncc3cn(C)nc3c2=O)C[C@@H](C(=O)[O-])O1 ZINC001599867792 1017648691 /nfs/dbraw/zinc/64/86/91/1017648691.db2.gz RWHBXCABARBMGI-SCZZXKLOSA-N -1 0 307.310 -0.739 20 0 DBADRM C[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1CNC(=O)CC(N)=O ZINC001599869480 1017648895 /nfs/dbraw/zinc/64/88/95/1017648895.db2.gz ZLNHTDGKPWWDRF-PSASIEDQSA-N -1 0 321.337 -0.761 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](O)c2ccccn2)O[C@H]1C(=O)[O-] ZINC001599873706 1017650476 /nfs/dbraw/zinc/65/04/76/1017650476.db2.gz INDJLOPHRJABKV-JOLIMNQDSA-N -1 0 324.333 -0.530 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN(C3CN(C)C3)CC2)O[C@H]1C(=O)[O-] ZINC001599875080 1017650991 /nfs/dbraw/zinc/65/09/91/1017650991.db2.gz WJTPNTOYLCLPCM-RAIGVLPGSA-N -1 0 311.382 -0.677 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001599880739 1017652046 /nfs/dbraw/zinc/65/20/46/1017652046.db2.gz CTUHBSVVXBWQEK-OSQNNJELSA-N -1 0 320.349 -0.112 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)C1CCCC1 ZINC001599891090 1017652087 /nfs/dbraw/zinc/65/20/87/1017652087.db2.gz FUNBPLSDBXRKHL-ZMLRMANQSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)c1cccnc1 ZINC001599891145 1017652225 /nfs/dbraw/zinc/65/22/25/1017652225.db2.gz GRWLBIDCFPEXDA-SCVCMEIPSA-N -1 0 321.333 -0.041 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C[C@H]1CNCCS1(=O)=O ZINC001599877616 1017652501 /nfs/dbraw/zinc/65/25/01/1017652501.db2.gz KEXIXQUGQDQEOQ-MXWKQRLJSA-N -1 0 318.395 -0.525 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1c[nH]c(=O)n1C ZINC001599891114 1017652609 /nfs/dbraw/zinc/65/26/09/1017652609.db2.gz JEZKISXBIJZRSJ-SSDOTTSWSA-N -1 0 320.309 -0.734 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1CCCOC1 ZINC001599891023 1017652929 /nfs/dbraw/zinc/65/29/29/1017652929.db2.gz HDICZWXAXRHHJG-ZJUUUORDSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@@H]1[C@H](O)CCCN1CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001599883504 1017652986 /nfs/dbraw/zinc/65/29/86/1017652986.db2.gz QAUPEJOCMVSJGL-GPCCPHFNSA-N -1 0 313.354 -0.036 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cnn(C[C@H](O)CO)c1 ZINC001599878007 1017653119 /nfs/dbraw/zinc/65/31/19/1017653119.db2.gz YABZCDHNGTZAFB-FOGDFJRCSA-N -1 0 311.338 -0.438 20 0 DBADRM C[C@H](Cc1cn(C)nn1)NS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001599892478 1017654535 /nfs/dbraw/zinc/65/45/35/1017654535.db2.gz QKUBLCNLRPZJJT-MRVPVSSYSA-N -1 0 304.372 -0.224 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)CN1CCSC1=O)C(=O)[O-] ZINC001599895846 1017654865 /nfs/dbraw/zinc/65/48/65/1017654865.db2.gz JVKLJOOXHWDFQZ-BQBZGAKWSA-N -1 0 303.340 -0.751 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCc2nccnc2C1)C(=O)[O-] ZINC001599896252 1017654710 /nfs/dbraw/zinc/65/47/10/1017654710.db2.gz JWMMLKIDVNONPF-IUCAKERBSA-N -1 0 321.337 -0.478 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1n[nH]cc1F ZINC001599892057 1017655178 /nfs/dbraw/zinc/65/51/78/1017655178.db2.gz WVOZXYKZKVXQIM-ZCFIWIBFSA-N -1 0 308.273 -0.311 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CCc2nncn2CC1)C(=O)[O-] ZINC001599895153 1017655225 /nfs/dbraw/zinc/65/52/25/1017655225.db2.gz JAQWBSKYUZPPGF-GUBZILKMSA-N -1 0 323.353 -0.675 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1cnccn1 ZINC001599891752 1017655595 /nfs/dbraw/zinc/65/55/95/1017655595.db2.gz SQEGKDOIIHCPPP-MRVPVSSYSA-N -1 0 302.294 -0.383 20 0 DBADRM C[C@@H](O)C1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC001599897481 1017656672 /nfs/dbraw/zinc/65/66/72/1017656672.db2.gz HLSSMLMIFWDEAL-LPEHRKFASA-N -1 0 315.370 -0.233 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC([C@H]2CCOC2)C1)C(=O)[O-] ZINC001599897932 1017656707 /nfs/dbraw/zinc/65/67/07/1017656707.db2.gz QBKHDWDWYVIHKG-GUBZILKMSA-N -1 0 313.354 -0.358 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H](CCO)C1CC1)C(=O)[O-] ZINC001599897017 1017656848 /nfs/dbraw/zinc/65/68/48/1017656848.db2.gz SOPFSKFMHAWCSG-NRPADANISA-N -1 0 301.343 -0.576 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@@H]2COC[C@H]2C1)C(=O)[O-] ZINC001599898245 1017657189 /nfs/dbraw/zinc/65/71/89/1017657189.db2.gz UEJQLRJWYXYZNB-UKKRHICBSA-N -1 0 313.354 -0.358 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@H]1CCC[C@@H]1O)C(=O)[O-] ZINC001599897016 1017657218 /nfs/dbraw/zinc/65/72/18/1017657218.db2.gz DKPNDTZRNRHCPJ-QEYWKRMJSA-N -1 0 301.343 -0.576 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N(CCO)C1CCC1)C(=O)[O-] ZINC001599897862 1017657270 /nfs/dbraw/zinc/65/72/70/1017657270.db2.gz PCXBOYFWOMJFRE-IUCAKERBSA-N -1 0 301.343 -0.479 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC[C@@H]1C(C)(C)O)C(=O)[O-] ZINC001599897656 1017657356 /nfs/dbraw/zinc/65/73/56/1017657356.db2.gz KTDGGYZUNSRRLJ-LPEHRKFASA-N -1 0 315.370 -0.091 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cc2n(n1)CCC[C@H]2O)C(=O)[O-] ZINC001599899755 1017658593 /nfs/dbraw/zinc/65/85/93/1017658593.db2.gz PTSAAKARLQZBDU-DKCNOQQISA-N -1 0 324.337 -0.582 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC[C@H]1CCOC1)C(=O)[O-] ZINC001599900355 1017658891 /nfs/dbraw/zinc/65/88/91/1017658891.db2.gz LXCISWROSZLCTK-LPEHRKFASA-N -1 0 322.383 -0.690 20 0 DBADRM C[C@H]1CC[C@H](O)CN1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599909230 1017661517 /nfs/dbraw/zinc/66/15/17/1017661517.db2.gz VXJNDCRQHVSIPB-UWVGGRQHSA-N -1 0 301.343 -0.478 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCOC(C)(C)C2)C[C@@H](C(=O)[O-])O1 ZINC001599910705 1017661689 /nfs/dbraw/zinc/66/16/89/1017661689.db2.gz DWXLIHMJCCMMEQ-UWVGGRQHSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCOCC(F)F)C[C@@H](C(=O)[O-])O1 ZINC001599913531 1017662644 /nfs/dbraw/zinc/66/26/44/1017662644.db2.gz QNURPAJILBGRKE-YUMQZZPRSA-N -1 0 324.280 -0.915 20 0 DBADRM C[C@H]1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCS1(=O)=O ZINC001599916569 1017662813 /nfs/dbraw/zinc/66/28/13/1017662813.db2.gz AJMARYXWFJRLOM-GARJFASQSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@H]1CN(C(=O)CCCN2C(=O)CNC2=O)CC[C@H]1C(=O)[O-] ZINC001599916254 1017663124 /nfs/dbraw/zinc/66/31/24/1017663124.db2.gz UHXLRYMGLXKDME-VHSXEESVSA-N -1 0 311.338 -0.112 20 0 DBADRM C[C@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599916613 1017663162 /nfs/dbraw/zinc/66/31/62/1017663162.db2.gz QZJADGSOTGJJQV-YUMQZZPRSA-N -1 0 313.310 -0.983 20 0 DBADRM C[C@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@@H](C(=O)[O-])O1 ZINC001599916353 1017663180 /nfs/dbraw/zinc/66/31/80/1017663180.db2.gz ZYBGKBIROHMPAX-IUCAKERBSA-N -1 0 313.310 -0.981 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H](c2cncn2C)N(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599913879 1017663458 /nfs/dbraw/zinc/66/34/58/1017663458.db2.gz ZKOOWGDFDVNUEH-ZMLRMANQSA-N -1 0 310.354 -0.277 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2ccn(C)n2)C[C@]1(C)C(=O)[O-] ZINC001599911384 1017663487 /nfs/dbraw/zinc/66/34/87/1017663487.db2.gz CZUZVJSOTOMMCC-XPTSAGLGSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@@H](C(=O)[O-])O1 ZINC001599916661 1017663699 /nfs/dbraw/zinc/66/36/99/1017663699.db2.gz RLEMVPFIEVIIOJ-ONGXEEELSA-N -1 0 307.306 -0.488 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)nn2)C[C@@H](C(=O)[O-])O1 ZINC001599925604 1017665478 /nfs/dbraw/zinc/66/54/78/1017665478.db2.gz JJFCBMTUHVTZBY-ONGXEEELSA-N -1 0 317.305 -0.024 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC001599919777 1017665915 /nfs/dbraw/zinc/66/59/15/1017665915.db2.gz LKULOQVRCNVCSQ-GUBZILKMSA-N -1 0 320.367 -0.553 20 0 DBADRM C[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[C@H]1C(=O)[O-] ZINC001599916756 1017666545 /nfs/dbraw/zinc/66/65/45/1017666545.db2.gz WZPFKFWXYYRUFD-VHSXEESVSA-N -1 0 309.322 -0.504 20 0 DBADRM C[C@H]1CN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001599918304 1017666593 /nfs/dbraw/zinc/66/65/93/1017666593.db2.gz LCWRETHUAIKMIN-AEJSXWLSSA-N -1 0 320.367 -0.553 20 0 DBADRM C[C@H]1CN(C(=O)NCC[C@@]2(O)CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599920657 1017666610 /nfs/dbraw/zinc/66/66/10/1017666610.db2.gz OMZPLHOLJPWDTL-OUJBWJOFSA-N -1 0 302.327 -0.589 20 0 DBADRM C[C@@H]1CN(CCN(C)C(=O)NCCOCC(=O)[O-])C[C@H](C)O1 ZINC001599929807 1017669022 /nfs/dbraw/zinc/66/90/22/1017669022.db2.gz QGHUKVDWBGZSDI-TXEJJXNPSA-N -1 0 317.386 -0.162 20 0 DBADRM C[C@H]1CN(Cn2nc(CO)n(C)c2=S)C[C@@H](C(=O)[O-])O1 ZINC001599930002 1017669093 /nfs/dbraw/zinc/66/90/93/1017669093.db2.gz GYIHUYOHABMSOS-YUMQZZPRSA-N -1 0 302.356 -0.425 20 0 DBADRM C[C@H]1CN(c2nnc(Cc3cc[nH]n3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599933392 1017669238 /nfs/dbraw/zinc/66/92/38/1017669238.db2.gz OPMYVEMVBVPYQH-WPRPVWTQSA-N -1 0 306.326 -0.193 20 0 DBADRM Cc1nc[nH]c1C(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001599967315 1017670506 /nfs/dbraw/zinc/67/05/06/1017670506.db2.gz CBTYMRAXZJJAMM-BDAKNGLRSA-N -1 0 306.322 -0.183 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N(C)CCNc1ccnc(C(=O)[O-])n1 ZINC001599940718 1017670686 /nfs/dbraw/zinc/67/06/86/1017670686.db2.gz OWFPWWFTRBFWRZ-UHFFFAOYSA-N -1 0 320.309 -0.482 20 0 DBADRM Cc1[nH]c(C(=O)N2CC(NS(C)(=O)=O)C2)c(C)c1C(=O)[O-] ZINC001599951373 1017671031 /nfs/dbraw/zinc/67/10/31/1017671031.db2.gz RNFKCTXEHLWBCN-UHFFFAOYSA-N -1 0 315.351 -0.297 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001599940793 1017671499 /nfs/dbraw/zinc/67/14/99/1017671499.db2.gz SPAVVTBXEMOCOT-QMMMGPOBSA-N -1 0 312.326 -0.231 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001599940684 1017672064 /nfs/dbraw/zinc/67/20/64/1017672064.db2.gz NPYPSYDMAPMTNF-CQSZACIVSA-N -1 0 324.337 -0.575 20 0 DBADRM Cc1c(C(=O)NC[C@@H](O)CC(=O)[O-])cccc1S(N)(=O)=O ZINC001599979656 1017673297 /nfs/dbraw/zinc/67/32/97/1017673297.db2.gz DPRGALWBVXMQOR-QMMMGPOBSA-N -1 0 316.335 -0.792 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599968078 1017673423 /nfs/dbraw/zinc/67/34/23/1017673423.db2.gz JXCVQCUTJZUQEF-DBIOUOCHSA-N -1 0 320.349 -0.255 20 0 DBADRM Cc1c(C(=O)N2CC(O)(C(=O)[O-])C2)cnn1C1CCOCC1 ZINC001599975899 1017674012 /nfs/dbraw/zinc/67/40/12/1017674012.db2.gz XLATUUXAQHMSCI-UHFFFAOYSA-N -1 0 309.322 -0.185 20 0 DBADRM Cc1nc[nH]c1CC(=O)N(C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001599968449 1017674524 /nfs/dbraw/zinc/67/45/24/1017674524.db2.gz UVICAMFHVXGTJI-ZJUUUORDSA-N -1 0 308.338 -0.444 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C[C@H]21 ZINC001599969449 1017674638 /nfs/dbraw/zinc/67/46/38/1017674638.db2.gz WGLPIMYGAYWSNB-QATXWYEKSA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1nc[nH]c1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599967777 1017675062 /nfs/dbraw/zinc/67/50/62/1017675062.db2.gz OCKUEMINGULOOP-VHSXEESVSA-N -1 0 306.322 -0.278 20 0 DBADRM Cc1c(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])nnn1-c1cnn(C)c1 ZINC001599982567 1017676063 /nfs/dbraw/zinc/67/60/63/1017676063.db2.gz CNQGXXOYOBNJCM-GXSJLCMTSA-N -1 0 320.309 -0.719 20 0 DBADRM Cc1c(C(=O)NCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])nnn1C ZINC001599980905 1017676162 /nfs/dbraw/zinc/67/61/62/1017676162.db2.gz ZEVGWVULUKIYDG-IUCAKERBSA-N -1 0 309.326 -0.968 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNS(=O)(=O)[C@@H]2COC[C@H]2O)n1C ZINC001599994108 1017676180 /nfs/dbraw/zinc/67/61/80/1017676180.db2.gz ONUJQNDEJJKABC-GHMZBOCLSA-N -1 0 318.351 -0.789 20 0 DBADRM Cc1c(C(=O)NCCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cnn1C ZINC001599980438 1017676210 /nfs/dbraw/zinc/67/62/10/1017676210.db2.gz MBXSGWFLJWHJJA-UWVGGRQHSA-N -1 0 308.338 -0.315 20 0 DBADRM Cc1c(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])nnn1C ZINC001599980971 1017676290 /nfs/dbraw/zinc/67/62/90/1017676290.db2.gz SZUHVSBDWRPSSE-VIFPVBQESA-N -1 0 311.342 -0.531 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)C2CS(=O)(=O)C2)n1C ZINC001599988839 1017676472 /nfs/dbraw/zinc/67/64/72/1017676472.db2.gz KFMPSDDSBWHEAZ-UHFFFAOYSA-N -1 0 300.336 -0.307 20 0 DBADRM Cc1c(C(=O)[O-])csc1NC(=O)C(=O)N1CCNC(=O)C1 ZINC001600000252 1017676995 /nfs/dbraw/zinc/67/69/95/1017676995.db2.gz HZAVKZUTOJPLMW-UHFFFAOYSA-N -1 0 311.319 -0.348 20 0 DBADRM Cc1c(Cl)c(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])nn1C ZINC001600013098 1017677906 /nfs/dbraw/zinc/67/79/06/1017677906.db2.gz OEQCZOGKROJGKB-SSDOTTSWSA-N -1 0 314.729 -0.251 20 0 DBADRM Cc1c(Cl)cncc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001600017343 1017677927 /nfs/dbraw/zinc/67/79/27/1017677927.db2.gz DLBGKWZUBGQGCB-SSDOTTSWSA-N -1 0 315.713 -0.066 20 0 DBADRM Cc1c([C@@H](C)NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cnn1C ZINC001600009243 1017678797 /nfs/dbraw/zinc/67/87/97/1017678797.db2.gz UJPWYIHWJRZZNK-PSASIEDQSA-N -1 0 308.338 -0.161 20 0 DBADRM Cc1c(CC(=O)NCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])cnn1C ZINC001600011534 1017678867 /nfs/dbraw/zinc/67/88/67/1017678867.db2.gz SUYCMSRQZFOGQE-NWDGAFQWSA-N -1 0 322.365 -0.434 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC[C@H](CO)C2)cnn1CC(=O)[O-] ZINC001600024998 1017678963 /nfs/dbraw/zinc/67/89/63/1017678963.db2.gz BOICXUADRFAHMC-JTQLQIEISA-N -1 0 324.337 -0.554 20 0 DBADRM Cc1c(NC(=O)CCNS(C)(=O)=O)cnn1CC(=O)[O-] ZINC001600032055 1017679705 /nfs/dbraw/zinc/67/97/05/1017679705.db2.gz LURPHNKHYPSWDS-UHFFFAOYSA-N -1 0 304.328 -0.846 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H](CO)C2CC2)cnn1CC(=O)[O-] ZINC001600028956 1017680175 /nfs/dbraw/zinc/68/01/75/1017680175.db2.gz VNSJIBQQOKURMP-JTQLQIEISA-N -1 0 310.310 -0.898 20 0 DBADRM Cc1cc(C(=O)N(CCO)CCOCCO)oc1C(=O)[O-] ZINC001600079128 1017681456 /nfs/dbraw/zinc/68/14/56/1017681456.db2.gz FCLUNNYVSFQRKX-UHFFFAOYSA-N -1 0 301.295 -0.270 20 0 DBADRM Cc1cc(=O)[nH]cc1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001600065101 1017681564 /nfs/dbraw/zinc/68/15/64/1017681564.db2.gz QEBYLRLLBNGKGB-UHFFFAOYSA-N -1 0 323.349 -0.045 20 0 DBADRM Cc1cc(=O)c(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c[nH]1 ZINC001600065229 1017681722 /nfs/dbraw/zinc/68/17/22/1017681722.db2.gz DSLOWIJIEBSYKF-UWVGGRQHSA-N -1 0 319.317 -0.655 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600060977 1017682072 /nfs/dbraw/zinc/68/20/72/1017682072.db2.gz SGTUJKSRFBDAKU-XKNYDFJKSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)no1 ZINC001600077287 1017682094 /nfs/dbraw/zinc/68/20/94/1017682094.db2.gz KAXMOOKOKAJVIJ-NXEZZACHSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001600066831 1017682175 /nfs/dbraw/zinc/68/21/75/1017682175.db2.gz QGAUVDXCXWZNCJ-JTQLQIEISA-N -1 0 319.317 -0.078 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001600060109 1017682286 /nfs/dbraw/zinc/68/22/86/1017682286.db2.gz GJOXPRIRTCSEIP-VHSXEESVSA-N -1 0 323.349 -0.182 20 0 DBADRM Cc1cc(=O)c(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])cn1C ZINC001600066332 1017682300 /nfs/dbraw/zinc/68/23/00/1017682300.db2.gz BKJBMUHFFLFFMY-JTQLQIEISA-N -1 0 307.306 -0.939 20 0 DBADRM Cc1c[nH]c(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600060472 1017682522 /nfs/dbraw/zinc/68/25/22/1017682522.db2.gz KDFZXURHUIOMHV-VHSXEESVSA-N -1 0 306.322 -0.278 20 0 DBADRM Cc1cc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)on1 ZINC001600083022 1017683761 /nfs/dbraw/zinc/68/37/61/1017683761.db2.gz MSESTGHKRDBMIM-CQSZACIVSA-N -1 0 309.322 -0.015 20 0 DBADRM Cc1cc(C(=O)NCCOCCS(N)(=O)=O)oc1C(=O)[O-] ZINC001600092946 1017683769 /nfs/dbraw/zinc/68/37/69/1017683769.db2.gz OVWHIZWNIJKSHK-UHFFFAOYSA-N -1 0 320.323 -0.679 20 0 DBADRM Cc1cc(C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)ncn1 ZINC001600093390 1017683815 /nfs/dbraw/zinc/68/38/15/1017683815.db2.gz ZEZQVONLPXCCGZ-VHSXEESVSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)ncc1C(N)=O ZINC001600092241 1017683870 /nfs/dbraw/zinc/68/38/70/1017683870.db2.gz PGGXGXVIGAXAQU-MWLCHTKSSA-N -1 0 321.333 -0.044 20 0 DBADRM Cc1cc(C(=O)NC[C@H](O)C(=O)[O-])ccc1N1CCNC1=O ZINC001600094348 1017683975 /nfs/dbraw/zinc/68/39/75/1017683975.db2.gz DUFXXGYUSIQXOE-NSHDSACASA-N -1 0 307.306 -0.300 20 0 DBADRM Cc1cc(C(=O)NC[C@H](CO)Nc2ncc(C(=O)[O-])cn2)no1 ZINC001600092768 1017684166 /nfs/dbraw/zinc/68/41/66/1017684166.db2.gz ZSGHUHDFUUZDEX-SECBINFHSA-N -1 0 321.293 -0.326 20 0 DBADRM Cc1cc(C(=O)NC[C@H](O)C(N)=O)cc(C)c1OCC(=O)[O-] ZINC001600092085 1017684212 /nfs/dbraw/zinc/68/42/12/1017684212.db2.gz PSUDZYOKGGJGOD-JTQLQIEISA-N -1 0 310.306 -0.657 20 0 DBADRM Cc1cc([C@H](C)N2CCN3C(=O)C(=O)NC[C@H]3C2)oc1C(=O)[O-] ZINC001600149163 1017685594 /nfs/dbraw/zinc/68/55/94/1017685594.db2.gz HVHKQDKVAKEQFY-UWVGGRQHSA-N -1 0 321.333 -0.010 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)ncn1 ZINC001600097212 1017685694 /nfs/dbraw/zinc/68/56/94/1017685694.db2.gz YQCFEQFPXGUBET-YTWAJWBKSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC001600119189 1017685818 /nfs/dbraw/zinc/68/58/18/1017685818.db2.gz KXQMBMFSJJCJPL-SNVBAGLBSA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1cc(C(=O)OCC(=O)N2CCNC(=O)C2)oc1C(=O)[O-] ZINC001600136928 1017686024 /nfs/dbraw/zinc/68/60/24/1017686024.db2.gz ZMAKTTFQSXONHH-UHFFFAOYSA-N -1 0 310.262 -0.599 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N(CCO)CCCO ZINC001600118620 1017686175 /nfs/dbraw/zinc/68/61/75/1017686175.db2.gz DEMUUZXXGBIJPY-UHFFFAOYSA-N -1 0 324.333 -0.165 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600178471 1017687560 /nfs/dbraw/zinc/68/75/60/1017687560.db2.gz WDHGZKISQXTSMT-RYUDHWBXSA-N -1 0 320.349 -0.452 20 0 DBADRM Cc1cc(C)n(CC(=O)N(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001600177315 1017687647 /nfs/dbraw/zinc/68/76/47/1017687647.db2.gz CLPBTZFRTSXAIU-NWDGAFQWSA-N -1 0 322.365 -0.205 20 0 DBADRM Cc1cc(C)n([C@H](C)C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC001600177813 1017687953 /nfs/dbraw/zinc/68/79/53/1017687953.db2.gz NQSDACOKJGCZDB-MNOVXSKESA-N -1 0 308.338 -0.137 20 0 DBADRM Cc1cc(CCNC(=O)NCCn2cc(C(=O)[O-])nn2)nn1C ZINC001600188693 1017689350 /nfs/dbraw/zinc/68/93/50/1017689350.db2.gz SLXQBLSFFSIFFR-UHFFFAOYSA-N -1 0 321.341 -0.440 20 0 DBADRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(N)=O ZINC001600224657 1017689399 /nfs/dbraw/zinc/68/93/99/1017689399.db2.gz DOIFYUJMPXPYRO-LURJTMIESA-N -1 0 304.299 -0.016 20 0 DBADRM Cc1cc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)ncn1 ZINC001600198648 1017689494 /nfs/dbraw/zinc/68/94/94/1017689494.db2.gz UFAGYODJQLPIPT-NSHDSACASA-N -1 0 306.322 -0.276 20 0 DBADRM Cc1cc(CN2CC(O)(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)no1 ZINC001600192835 1017689600 /nfs/dbraw/zinc/68/96/00/1017689600.db2.gz VGRGYIIJQIYTPJ-MNOVXSKESA-N -1 0 309.322 -0.633 20 0 DBADRM Cc1cc(CNS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])n(C)n1 ZINC001600210520 1017689923 /nfs/dbraw/zinc/68/99/23/1017689923.db2.gz QBPDLEPTVAQQAJ-UHFFFAOYSA-N -1 0 313.339 -0.063 20 0 DBADRM Cc1cc(N(C)CC(=O)NC2CC2)n2nc(C(=O)[O-])nc2n1 ZINC001600236288 1017689965 /nfs/dbraw/zinc/68/99/65/1017689965.db2.gz QTAWALGWHZEMLL-UHFFFAOYSA-N -1 0 304.310 -0.154 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])no1 ZINC001600215397 1017690069 /nfs/dbraw/zinc/69/00/69/1017690069.db2.gz DAXRINBYVLIISY-NXEZZACHSA-N -1 0 304.324 -0.277 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])no1 ZINC001600214685 1017690376 /nfs/dbraw/zinc/69/03/76/1017690376.db2.gz DXPQFEZHOGSXDZ-SECBINFHSA-N -1 0 317.323 -0.960 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)[nH]n1 ZINC001600197253 1017690549 /nfs/dbraw/zinc/69/05/49/1017690549.db2.gz BTWLHRZVHNVEIY-LLVKDONJSA-N -1 0 324.337 -0.982 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cn(C)c1=O ZINC001600243435 1017691275 /nfs/dbraw/zinc/69/12/75/1017691275.db2.gz HWNHHYOWDUCBEB-GXSJLCMTSA-N -1 0 321.333 -0.046 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCn3cnnc3C2)c(C(=O)[O-])[nH]1 ZINC001600245033 1017691483 /nfs/dbraw/zinc/69/14/83/1017691483.db2.gz JTUSHCCMBHQFTQ-UHFFFAOYSA-N -1 0 318.293 -0.406 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)nn1C ZINC001600245113 1017691927 /nfs/dbraw/zinc/69/19/27/1017691927.db2.gz IXKOTXWOHCMHHY-VIFPVBQESA-N -1 0 310.310 -0.631 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)c(N(C)C)nn1 ZINC001600246390 1017691976 /nfs/dbraw/zinc/69/19/76/1017691976.db2.gz OZOBHJVRMUJSMG-UHFFFAOYSA-N -1 0 321.337 -0.087 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)cn(C)c1=O ZINC001600246056 1017692058 /nfs/dbraw/zinc/69/20/58/1017692058.db2.gz DHWHYZXURNAYLU-UHFFFAOYSA-N -1 0 307.306 -0.244 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])n(C)n1 ZINC001600242822 1017692292 /nfs/dbraw/zinc/69/22/92/1017692292.db2.gz FDOVPFBQHAUVTR-PSASIEDQSA-N -1 0 310.310 -0.896 20 0 DBADRM Cc1cc(NC(=O)CN(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])no1 ZINC001600254660 1017693646 /nfs/dbraw/zinc/69/36/46/1017693646.db2.gz DFMWIOYSBVQURL-NXEZZACHSA-N -1 0 324.337 -0.310 20 0 DBADRM Cc1cc(NC[C@H]2COCCN2C)n2nc(C(=O)[O-])nc2n1 ZINC001600281058 1017693725 /nfs/dbraw/zinc/69/37/25/1017693725.db2.gz KYTCYLOHXUIWGP-VIFPVBQESA-N -1 0 306.326 -0.127 20 0 DBADRM Cc1cc(NC(=O)CN(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])no1 ZINC001600254661 1017694164 /nfs/dbraw/zinc/69/41/64/1017694164.db2.gz DFMWIOYSBVQURL-UWVGGRQHSA-N -1 0 324.337 -0.310 20 0 DBADRM Cc1cc(NCCN(CCO)C(=O)[C@H]2C[C@@H]2C(=O)[O-])ncn1 ZINC001600280985 1017694501 /nfs/dbraw/zinc/69/45/01/1017694501.db2.gz NNLPXJNKNZCGFW-QWRGUYRKSA-N -1 0 308.338 -0.261 20 0 DBADRM Cc1cc(NC(=O)C(=O)NN2CCCNC2=O)c(C(=O)[O-])[nH]1 ZINC001600250661 1017694562 /nfs/dbraw/zinc/69/45/62/1017694562.db2.gz OGRFBMVNKICTDP-UHFFFAOYSA-N -1 0 309.282 -0.594 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)cnc1N ZINC001600295620 1017695556 /nfs/dbraw/zinc/69/55/56/1017695556.db2.gz MATBWDDKPQJFTB-UHFFFAOYSA-N -1 0 315.351 -0.428 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@H](CC[NH3+])C(=O)[O-])ccc1C(=O)[O-] ZINC001600300222 1017695560 /nfs/dbraw/zinc/69/55/60/1017695560.db2.gz CZFUGXBYVBLCMV-JTQLQIEISA-N -1 0 316.335 -0.226 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001600302740 1017695679 /nfs/dbraw/zinc/69/56/79/1017695679.db2.gz XOJSTROCTWZZTG-BQBZGAKWSA-N -1 0 320.298 -0.127 20 0 DBADRM Cc1cc(S(=O)(=O)NCCCOCCO)oc1C(=O)[O-] ZINC001600298920 1017695835 /nfs/dbraw/zinc/69/58/35/1017695835.db2.gz MJXPQZQQDRESLB-UHFFFAOYSA-N -1 0 307.324 -0.036 20 0 DBADRM Cc1cc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)oc1C(=O)[O-] ZINC001600293215 1017696036 /nfs/dbraw/zinc/69/60/36/1017696036.db2.gz JSKQZFXQERGJCX-JGVFFNPUSA-N -1 0 305.308 -0.740 20 0 DBADRM Cc1cc2c(cc1S(=O)(=O)NC[C@@H](O)CC(=O)[O-])OCO2 ZINC001600307105 1017696118 /nfs/dbraw/zinc/69/61/18/1017696118.db2.gz MKSZPAPRJLJZQD-QMMMGPOBSA-N -1 0 317.319 -0.162 20 0 DBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CN1CCNCC1=O ZINC001600288712 1017696320 /nfs/dbraw/zinc/69/63/20/1017696320.db2.gz FMPKUKIEHVAYDI-UHFFFAOYSA-N -1 0 321.333 -0.171 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])sn1 ZINC001600295218 1017696428 /nfs/dbraw/zinc/69/64/28/1017696428.db2.gz SAHYFFDLATVTHI-SSDOTTSWSA-N -1 0 319.364 -0.585 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)oc1C(=O)[O-] ZINC001600293068 1017696473 /nfs/dbraw/zinc/69/64/73/1017696473.db2.gz CAGKIFQAJAMBOE-SSDOTTSWSA-N -1 0 302.308 -0.075 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)NCC[C@H](O)C(=O)[O-])cc1C ZINC001600336759 1017697359 /nfs/dbraw/zinc/69/73/59/1017697359.db2.gz QQYBTJOVWCONQV-LBPRGKRZSA-N -1 0 308.334 -0.015 20 0 DBADRM Cc1ccc(C(=O)N[C@@](C)(CO)C(=O)[O-])cc1S(C)(=O)=O ZINC001600338555 1017697610 /nfs/dbraw/zinc/69/76/10/1017697610.db2.gz ZRYACYFEIOQOPC-ZDUSSCGKSA-N -1 0 315.347 -0.036 20 0 DBADRM Cc1ccc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])nn1 ZINC001600340539 1017697646 /nfs/dbraw/zinc/69/76/46/1017697646.db2.gz IDMQPNZCKGBHBM-NXEZZACHSA-N -1 0 306.322 -0.306 20 0 DBADRM Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NCCOCC(=O)[O-] ZINC001600378942 1017697745 /nfs/dbraw/zinc/69/77/45/1017697745.db2.gz NVVVVALEBUBWJE-UHFFFAOYSA-N -1 0 323.305 -0.750 20 0 DBADRM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)Cn1ncn(C)c1=O ZINC001600343985 1017698034 /nfs/dbraw/zinc/69/80/34/1017698034.db2.gz FGUOHOODPDVLHV-UHFFFAOYSA-N -1 0 306.278 -0.067 20 0 DBADRM Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001600339691 1017698148 /nfs/dbraw/zinc/69/81/48/1017698148.db2.gz UZHNFDFAAPGVMI-QWRGUYRKSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1ccc(NCCN(CCO)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001600459558 1017699803 /nfs/dbraw/zinc/69/98/03/1017699803.db2.gz MFHXUMIVPPQPQS-MNOVXSKESA-N -1 0 308.338 -0.261 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)cc1C(=O)[O-] ZINC001600443142 1017699952 /nfs/dbraw/zinc/69/99/52/1017699952.db2.gz VFUOVUJEYCQFAZ-OAHLLOKOSA-N -1 0 322.317 -0.101 20 0 DBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C2=O ZINC001600493505 1017700036 /nfs/dbraw/zinc/70/00/36/1017700036.db2.gz QDZNWXOIYPKRDD-PELKAZGASA-N -1 0 320.301 -0.459 20 0 DBADRM Cc1ccn(CC(=O)N(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600595644 1017700910 /nfs/dbraw/zinc/70/09/10/1017700910.db2.gz LIHLYZLAFYLWLK-MNOVXSKESA-N -1 0 308.338 -0.513 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)NC1CC(C(=O)[O-])C1 ZINC001600509812 1017701240 /nfs/dbraw/zinc/70/12/40/1017701240.db2.gz LYEXQCOAXAXNHA-NWHVRFAMSA-N -1 0 308.334 -0.113 20 0 DBADRM Cc1ccn2cc(CNC(=O)N3CC(O)(C(=O)[O-])C3)nc2c1 ZINC001600595471 1017701470 /nfs/dbraw/zinc/70/14/70/1017701470.db2.gz CDNSUHXIXCWSPJ-UHFFFAOYSA-N -1 0 304.306 -0.016 20 0 DBADRM Cc1cccc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)n1 ZINC001600538098 1017702173 /nfs/dbraw/zinc/70/21/73/1017702173.db2.gz CSJVFFNOXNUQMH-UHFFFAOYSA-N -1 0 307.306 -0.233 20 0 DBADRM Cc1ccn(CC(=O)NC/C=C/CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600595161 1017702513 /nfs/dbraw/zinc/70/25/13/1017702513.db2.gz HZQBLIXLHOTNHG-FQVTYBBZSA-N -1 0 320.349 -0.299 20 0 DBADRM Cc1ccncc1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001600606584 1017702764 /nfs/dbraw/zinc/70/27/64/1017702764.db2.gz JNSXFTNCTUYSND-ZJUUUORDSA-N -1 0 300.336 -0.154 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(=O)c1 ZINC001600597665 1017702928 /nfs/dbraw/zinc/70/29/28/1017702928.db2.gz FWCDSFXMYGNVCT-RWSFTLGLSA-N -1 0 308.334 -0.113 20 0 DBADRM Cc1cn(C)nc1NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001600612188 1017703186 /nfs/dbraw/zinc/70/31/86/1017703186.db2.gz BOIOCSILMGVORT-SECBINFHSA-N -1 0 310.310 -0.631 20 0 DBADRM Cc1ccnn1CC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600606129 1017703312 /nfs/dbraw/zinc/70/33/12/1017703312.db2.gz NCZYYYRQTRHREN-MNOVXSKESA-N -1 0 306.322 -0.761 20 0 DBADRM Cc1ccnc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1 ZINC001600601740 1017703648 /nfs/dbraw/zinc/70/36/48/1017703648.db2.gz VEDALXWWYXSZEG-JTQLQIEISA-N -1 0 306.322 -0.276 20 0 DBADRM Cc1ccnc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600597939 1017704147 /nfs/dbraw/zinc/70/41/47/1017704147.db2.gz CULSWFVXEBWMNG-WDEREUQCSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1cn2nc(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])cc2c(=O)[nH]1 ZINC001600614344 1017704979 /nfs/dbraw/zinc/70/49/79/1017704979.db2.gz DHIPEUKYDDLRMC-XVKPBYJWSA-N -1 0 308.269 -0.032 20 0 DBADRM Cc1cnc2c(C(=O)NC3(C(=O)[O-])CC(CO)C3)cnn2c1 ZINC001600625220 1017705307 /nfs/dbraw/zinc/70/53/07/1017705307.db2.gz PPVSFHVXPRVRFS-UHFFFAOYSA-N -1 0 304.306 -0.007 20 0 DBADRM Cc1cnc(CCNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)cn1 ZINC001600619878 1017705377 /nfs/dbraw/zinc/70/53/77/1017705377.db2.gz RENBZGNYAXPSEO-GFCCVEGCSA-N -1 0 320.349 -0.233 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001600625062 1017705798 /nfs/dbraw/zinc/70/57/98/1017705798.db2.gz NGVGOKBKGFBGTG-HTQZYQBOSA-N -1 0 313.335 -0.361 20 0 DBADRM Cc1cnc(F)c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC001600622881 1017705877 /nfs/dbraw/zinc/70/58/77/1017705877.db2.gz BHUJUCYPAYHENJ-SECBINFHSA-N -1 0 316.310 -0.147 20 0 DBADRM Cc1cn2c(n1)C[C@@H](C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-])CC2 ZINC001600615791 1017706146 /nfs/dbraw/zinc/70/61/46/1017706146.db2.gz WYJOKZOHZLJVMO-QWRGUYRKSA-N -1 0 320.349 -0.492 20 0 DBADRM Cc1cncc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC001600627865 1017706384 /nfs/dbraw/zinc/70/63/84/1017706384.db2.gz FYMTXRWEPVJWRC-UHFFFAOYSA-N -1 0 311.323 -0.342 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)n1 ZINC001600628723 1017706495 /nfs/dbraw/zinc/70/64/95/1017706495.db2.gz PMQDAJZWLFAGES-CMPLNLGQSA-N -1 0 320.349 -0.235 20 0 DBADRM Cc1cncn1CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600631868 1017706549 /nfs/dbraw/zinc/70/65/49/1017706549.db2.gz FTLSSQWIQACGQG-GHMZBOCLSA-N -1 0 306.322 -0.761 20 0 DBADRM Cc1cnc2nc(C(=O)N[C@H](C(=O)[O-])c3ccn(C)n3)nn2c1 ZINC001600627432 1017706751 /nfs/dbraw/zinc/70/67/51/1017706751.db2.gz RSWZGPQJSDYSIS-VIFPVBQESA-N -1 0 315.293 -0.278 20 0 DBADRM Cc1cnccc1CNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001600629701 1017706998 /nfs/dbraw/zinc/70/69/98/1017706998.db2.gz HMADSGPCTVOYSP-RYUDHWBXSA-N -1 0 321.333 -0.700 20 0 DBADRM Cc1cncc(CC(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001600629318 1017707315 /nfs/dbraw/zinc/70/73/15/1017707315.db2.gz PPESHHAAQDXPDF-QWHCGFSZSA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1cncc(S(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)c1 ZINC001600628513 1017707437 /nfs/dbraw/zinc/70/74/37/1017707437.db2.gz XKSKGWBGINHFEU-UHFFFAOYSA-N -1 0 300.336 -0.106 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001600635696 1017707983 /nfs/dbraw/zinc/70/79/83/1017707983.db2.gz SKDSRHLTNRGSHM-DTWKUNHWSA-N -1 0 303.340 -0.673 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCOC[C@H]1CC(N)=O ZINC001600640934 1017708629 /nfs/dbraw/zinc/70/86/29/1017708629.db2.gz DVEZANGYWWUVLM-SECBINFHSA-N -1 0 310.306 -0.068 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CC2(C1)NC(=O)NC2=O ZINC001600640710 1017708845 /nfs/dbraw/zinc/70/88/45/1017708845.db2.gz VIROKTZQRSVDJZ-UHFFFAOYSA-N -1 0 307.262 -0.751 20 0 DBADRM Cc1csc(NC(=O)C(=O)NC[C@](C)(O)CO)c1C(=O)[O-] ZINC001600659889 1017709214 /nfs/dbraw/zinc/70/92/14/1017709214.db2.gz JIBKJMWJDHRWJH-LBPRGKRZSA-N -1 0 316.335 -0.447 20 0 DBADRM Cc1cnoc1C(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1 ZINC001600637380 1017709738 /nfs/dbraw/zinc/70/97/38/1017709738.db2.gz KGIBPISARNICBZ-MRVPVSSYSA-N -1 0 321.293 -0.904 20 0 DBADRM Cc1csc(C(=O)[O-])c1NC(=O)C(=O)NC(CO)CO ZINC001600651146 1017710100 /nfs/dbraw/zinc/71/01/00/1017710100.db2.gz XHWAYBWPSCTRHJ-UHFFFAOYSA-N -1 0 302.308 -0.837 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600668169 1017710761 /nfs/dbraw/zinc/71/07/61/1017710761.db2.gz QDKLFVKALQFIRX-VXGBXAGGSA-N -1 0 320.349 -0.383 20 0 DBADRM Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001600667897 1017711671 /nfs/dbraw/zinc/71/16/71/1017711671.db2.gz JIYIHOZVKBUYEL-QPUJVOFHSA-N -1 0 322.365 -0.041 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600668165 1017711778 /nfs/dbraw/zinc/71/17/78/1017711778.db2.gz QDKLFVKALQFIRX-NEPJUHHUSA-N -1 0 320.349 -0.383 20 0 DBADRM Cc1n[nH]c(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)c1C ZINC001600671325 1017711956 /nfs/dbraw/zinc/71/19/56/1017711956.db2.gz IXRDENQAVJQRQF-SNVBAGLBSA-N -1 0 308.338 -0.034 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600667672 1017712085 /nfs/dbraw/zinc/71/20/85/1017712085.db2.gz HMKZRDGUDPIDDW-VXGBXAGGSA-N -1 0 320.349 -0.383 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001600669276 1017712382 /nfs/dbraw/zinc/71/23/82/1017712382.db2.gz ZZARRVQHMXOQRN-LLVKDONJSA-N -1 0 308.338 -0.239 20 0 DBADRM Cc1csc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)c1C(=O)[O-] ZINC001600660325 1017712510 /nfs/dbraw/zinc/71/25/10/1017712510.db2.gz LSVXNTSSEWASOA-KNVOCYPGSA-N -1 0 314.319 -0.743 20 0 DBADRM Cc1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])[nH]1 ZINC001600671693 1017713477 /nfs/dbraw/zinc/71/34/77/1017713477.db2.gz VBRGHUVULHJGRX-ULHKAFAUSA-N -1 0 305.338 -0.620 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H]2C[C@@H](O)C23CCC3)c1C(=O)[O-] ZINC001600673822 1017714789 /nfs/dbraw/zinc/71/47/89/1017714789.db2.gz VQVXWCVJBKFBHA-HTQZYQBOSA-N -1 0 315.351 -0.002 20 0 DBADRM Cc1nc(SCC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)n[nH]1 ZINC001600674128 1017714810 /nfs/dbraw/zinc/71/48/10/1017714810.db2.gz BNIAMKBGQMFWBW-SFYZADRCSA-N -1 0 300.340 -0.501 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCn3cncc3C2)c1C(=O)[O-] ZINC001600672611 1017715634 /nfs/dbraw/zinc/71/56/34/1017715634.db2.gz HYUWXLTYZSKSLD-UHFFFAOYSA-N -1 0 311.323 -0.183 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001600675725 1017716149 /nfs/dbraw/zinc/71/61/49/1017716149.db2.gz OLOXNMDAMOYGAB-ZCFIWIBFSA-N -1 0 305.298 -0.168 20 0 DBADRM Cc1nc(C(=O)[O-])cn1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001600685479 1017716195 /nfs/dbraw/zinc/71/61/95/1017716195.db2.gz MZWXYPWRVOEZHF-QMMMGPOBSA-N -1 0 301.324 -0.807 20 0 DBADRM Cc1nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c[nH]1 ZINC001600682455 1017716503 /nfs/dbraw/zinc/71/65/03/1017716503.db2.gz NNMHIEOYFRXULO-OFKSJOQMSA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1nc(C(=O)N2CCC[C@@H]2CC(=O)[O-])nn1-c1nc[nH]n1 ZINC001600683189 1017716812 /nfs/dbraw/zinc/71/68/12/1017716812.db2.gz WDPVZEDEUIGANR-MRVPVSSYSA-N -1 0 305.298 -0.227 20 0 DBADRM Cc1nc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)co1 ZINC001600682348 1017716825 /nfs/dbraw/zinc/71/68/25/1017716825.db2.gz JHNIZIYHKPNBBT-UWVGGRQHSA-N -1 0 307.306 -0.012 20 0 DBADRM Cc1n[nH]nc1C(=O)N(C)CCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001600675994 1017716954 /nfs/dbraw/zinc/71/69/54/1017716954.db2.gz ZURQRLITMCEDPR-UWVGGRQHSA-N -1 0 323.353 -0.246 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C[C@H]21 ZINC001600675984 1017717260 /nfs/dbraw/zinc/71/72/60/1017717260.db2.gz ZKSGBGZTUCPYKF-BIIVNPBRSA-N -1 0 319.321 -0.980 20 0 DBADRM Cc1nc(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)co1 ZINC001600683524 1017717654 /nfs/dbraw/zinc/71/76/54/1017717654.db2.gz QFVVFEPNOFTQFJ-UWVGGRQHSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)nn1C ZINC001600710882 1017718727 /nfs/dbraw/zinc/71/87/27/1017718727.db2.gz UIVLBGGCYHBWHH-VIFPVBQESA-N -1 0 321.337 -0.225 20 0 DBADRM Cc1nc(N2CCN3[C@@H](CNS3(=O)=O)C2)ccc1C(=O)[O-] ZINC001600711115 1017718761 /nfs/dbraw/zinc/71/87/61/1017718761.db2.gz HQWUKCQWLGQIQO-VIFPVBQESA-N -1 0 312.351 -0.573 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2CCC(CC(=O)[O-])CC2)nn1C ZINC001600710730 1017719150 /nfs/dbraw/zinc/71/91/50/1017719150.db2.gz OHVSOJZHZQEBFO-UHFFFAOYSA-N -1 0 309.326 -0.225 20 0 DBADRM Cc1nc(N2C[C@H](O)C[C@@H](C(=O)[O-])C2)sc1S(N)(=O)=O ZINC001600709334 1017719394 /nfs/dbraw/zinc/71/93/94/1017719394.db2.gz ZZYXFSPEZFUXPL-RNFRBKRXSA-N -1 0 321.380 -0.629 20 0 DBADRM Cc1nc(C)c(CC(=O)NC[C@@]2(C(=O)[O-])CCOC2)c(=O)[nH]1 ZINC001600691776 1017719738 /nfs/dbraw/zinc/71/97/38/1017719738.db2.gz OHBMGZDCSOULLQ-AWEZNQCLSA-N -1 0 309.322 -0.051 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])CC2 ZINC001600731409 1017720162 /nfs/dbraw/zinc/72/01/62/1017720162.db2.gz MICLCXHZQHICIW-CKYFFXLPSA-N -1 0 323.353 -0.310 20 0 DBADRM Cc1ncc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)c(N)n1 ZINC001600734965 1017720354 /nfs/dbraw/zinc/72/03/54/1017720354.db2.gz TXGUKVRSKFOGAK-SECBINFHSA-N -1 0 308.294 -0.400 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C2 ZINC001600732106 1017720438 /nfs/dbraw/zinc/72/04/38/1017720438.db2.gz OJVKZPOMEHWHBU-MWLCHTKSSA-N -1 0 309.326 -0.399 20 0 DBADRM Cc1nc2ccccc2c(=O)n1CC(=O)N[C@](C)(CO)C(=O)[O-] ZINC001600728571 1017720614 /nfs/dbraw/zinc/72/06/14/1017720614.db2.gz TXVKJUJEDUUFJR-OAHLLOKOSA-N -1 0 319.317 -0.343 20 0 DBADRM Cc1ncc(CC(=O)NCCNc2ccnc(C(=O)[O-])n2)o1 ZINC001600735940 1017720626 /nfs/dbraw/zinc/72/06/26/1017720626.db2.gz FLPSUZFRYNGNGJ-UHFFFAOYSA-N -1 0 305.294 -0.336 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001600733019 1017720914 /nfs/dbraw/zinc/72/09/14/1017720914.db2.gz IWJJORUZLUUMHV-UHFFFAOYSA-N -1 0 318.293 -0.757 20 0 DBADRM Cc1ncc(Br)c(C(=O)N[C@H](CO)C(=O)[O-])n1 ZINC001600732328 1017721006 /nfs/dbraw/zinc/72/10/06/1017721006.db2.gz KJSDFIIGHVRQAB-ZCFIWIBFSA-N -1 0 304.100 -0.277 20 0 DBADRM Cc1nccc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600749048 1017722091 /nfs/dbraw/zinc/72/20/91/1017722091.db2.gz HPXQHFYSXXOENA-QWRGUYRKSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H]2COC(=O)C2)cc1C(=O)[O-] ZINC001600746756 1017722346 /nfs/dbraw/zinc/72/23/46/1017722346.db2.gz IRAURQYZNSJRQC-ZETCQYMHSA-N -1 0 300.292 -0.318 20 0 DBADRM Cc1ncc(S(=O)(=O)N(CCO)CCCO)cc1C(=O)[O-] ZINC001600741391 1017722722 /nfs/dbraw/zinc/72/27/22/1017722722.db2.gz DPTYCVSPBUMZLK-UHFFFAOYSA-N -1 0 318.351 -0.546 20 0 DBADRM Cc1ncc(S(=O)(=O)NCCn2cnnc2)cc1C(=O)[O-] ZINC001600747976 1017722769 /nfs/dbraw/zinc/72/27/69/1017722769.db2.gz RHJWTYIEJJVSBG-UHFFFAOYSA-N -1 0 311.323 -0.342 20 0 DBADRM Cc1nccc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001600749172 1017723318 /nfs/dbraw/zinc/72/33/18/1017723318.db2.gz VVSCOPURYSQMFN-NXEZZACHSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1ncc(S(=O)(=O)NCC[S@](C)=O)cc1C(=O)[O-] ZINC001600748102 1017723614 /nfs/dbraw/zinc/72/36/14/1017723614.db2.gz ZBPKIFOQAWTOTG-SFHVURJKSA-N -1 0 306.365 -0.255 20 0 DBADRM Cc1ncoc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600758141 1017724879 /nfs/dbraw/zinc/72/48/79/1017724879.db2.gz AIIDQPJTFBRTQU-NXEZZACHSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1ncccc1NC(=O)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001600754108 1017725096 /nfs/dbraw/zinc/72/50/96/1017725096.db2.gz ULFLAEKLKHXHCJ-MNOVXSKESA-N -1 0 307.306 -0.235 20 0 DBADRM Cc1nccn1CCCNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001600755203 1017725195 /nfs/dbraw/zinc/72/51/95/1017725195.db2.gz GDAQZKCEFAQQCG-ZYHUDNBSSA-N -1 0 322.365 -0.123 20 0 DBADRM Cc1ncncc1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600758043 1017725394 /nfs/dbraw/zinc/72/53/94/1017725394.db2.gz HZVVZWJCPHUEMO-QWRGUYRKSA-N -1 0 318.333 -0.210 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001600768728 1017726185 /nfs/dbraw/zinc/72/61/85/1017726185.db2.gz TYISDTSMDCSMDV-SNVBAGLBSA-N -1 0 308.338 -0.158 20 0 DBADRM Cc1nn(C)c(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c1C ZINC001600772158 1017726281 /nfs/dbraw/zinc/72/62/81/1017726281.db2.gz AMKCPNKTVYGHEZ-ZJUUUORDSA-N -1 0 324.337 -0.588 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001600770643 1017726493 /nfs/dbraw/zinc/72/64/93/1017726493.db2.gz JUXCJKYJFLUEAS-VHSXEESVSA-N -1 0 317.367 -0.364 20 0 DBADRM Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@@H](O)CC(=O)[O-])[nH]n1 ZINC001600768004 1017726940 /nfs/dbraw/zinc/72/69/40/1017726940.db2.gz DLMWZRVVJSYESP-VIFPVBQESA-N -1 0 321.337 -0.008 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001600770801 1017727089 /nfs/dbraw/zinc/72/70/89/1017727089.db2.gz KAEXJRDZQVOARW-IUCAKERBSA-N -1 0 312.301 -0.001 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001600770638 1017727392 /nfs/dbraw/zinc/72/73/92/1017727392.db2.gz JUXCJKYJFLUEAS-NXEZZACHSA-N -1 0 317.367 -0.364 20 0 DBADRM Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001600767329 1017727516 /nfs/dbraw/zinc/72/75/16/1017727516.db2.gz VBJDBXNTFOMRSO-VIFPVBQESA-N -1 0 307.310 -0.602 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)Nc1ccnc(C(=O)[O-])n1 ZINC001600770669 1017727562 /nfs/dbraw/zinc/72/75/62/1017727562.db2.gz KHGYTNRZAHWKPY-UHFFFAOYSA-N -1 0 305.294 -0.035 20 0 DBADRM Cc1nn(C)c(C)c1CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001600771719 1017727640 /nfs/dbraw/zinc/72/76/40/1017727640.db2.gz TUXCKOZTPHRPIB-UHFFFAOYSA-N -1 0 313.339 -0.063 20 0 DBADRM Cc1nn(C)c(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1C ZINC001600772458 1017728310 /nfs/dbraw/zinc/72/83/10/1017728310.db2.gz HNZLORCNGMVMFR-ZJUUUORDSA-N -1 0 324.337 -0.731 20 0 DBADRM Cc1nn(C)cc1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001600776017 1017729017 /nfs/dbraw/zinc/72/90/17/1017729017.db2.gz FSGGDFVQTQJTTB-JOYOIKCWSA-N -1 0 315.351 -0.654 20 0 DBADRM Cc1nn(CC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c(=O)n1C ZINC001600778642 1017729235 /nfs/dbraw/zinc/72/92/35/1017729235.db2.gz LOOMQRLKZSTDCR-HOSYDEDBSA-N -1 0 308.338 -0.398 20 0 DBADRM Cc1nn(C)c(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1C ZINC001600772457 1017729339 /nfs/dbraw/zinc/72/93/39/1017729339.db2.gz HNZLORCNGMVMFR-VHSXEESVSA-N -1 0 324.337 -0.731 20 0 DBADRM Cc1nn(C)cc1CNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001600778726 1017729482 /nfs/dbraw/zinc/72/94/82/1017729482.db2.gz NLBWATJCFQQAQL-UHFFFAOYSA-N -1 0 304.306 -0.095 20 0 DBADRM Cc1nn(CC(=O)OCc2cccc(C(=O)[O-])n2)c(=O)n1C ZINC001600782155 1017730537 /nfs/dbraw/zinc/73/05/37/1017730537.db2.gz NJMIOQGTZFOXIG-UHFFFAOYSA-N -1 0 306.278 -0.273 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)CCc1nnc[nH]1 ZINC001600781693 1017730910 /nfs/dbraw/zinc/73/09/10/1017730910.db2.gz XHBJNWGZIJBEAW-UHFFFAOYSA-N -1 0 306.326 -0.048 20 0 DBADRM Cc1nn(CC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c(=O)n1C ZINC001600779973 1017731025 /nfs/dbraw/zinc/73/10/25/1017731025.db2.gz ADNAGEVYKDHCTD-GFCCVEGCSA-N -1 0 318.333 -0.125 20 0 DBADRM Cc1nnc(CC(=O)NCC2(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)o1 ZINC001600794568 1017731783 /nfs/dbraw/zinc/73/17/83/1017731783.db2.gz QIVRHWSWFVUAAP-BDAKNGLRSA-N -1 0 322.321 -0.594 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)O[C@H](C)C(=O)NCC(=O)[O-])CC2 ZINC001600800057 1017731841 /nfs/dbraw/zinc/73/18/41/1017731841.db2.gz LMGNPDMDGGOHTA-APPZFPTMSA-N -1 0 310.310 -0.719 20 0 DBADRM Cc1nnc(CN2CC(CCO)(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001600793889 1017732095 /nfs/dbraw/zinc/73/20/95/1017732095.db2.gz DHGDUYLCCFWDQT-UWVGGRQHSA-N -1 0 324.337 -0.848 20 0 DBADRM Cc1nnc(CC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)s1 ZINC001600792848 1017732204 /nfs/dbraw/zinc/73/22/04/1017732204.db2.gz SPFDCXHWBWIVQQ-UHFFFAOYSA-N -1 0 308.323 -0.238 20 0 DBADRM Cc1nnc(CC(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)o1 ZINC001600794572 1017732243 /nfs/dbraw/zinc/73/22/43/1017732243.db2.gz QIVRHWSWFVUAAP-DTWKUNHWSA-N -1 0 322.321 -0.594 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)s1 ZINC001600796204 1017732366 /nfs/dbraw/zinc/73/23/66/1017732366.db2.gz RCRNRYXNGOMIMB-OCAPTIKFSA-N -1 0 312.351 -0.216 20 0 DBADRM Cc1nnccc1C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600799584 1017732390 /nfs/dbraw/zinc/73/23/90/1017732390.db2.gz AGCKICHKPYSVRT-RYUDHWBXSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1nnccc1C(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001600800007 1017732484 /nfs/dbraw/zinc/73/24/84/1017732484.db2.gz JRLGQAHCVFBCQK-MRVPVSSYSA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1nnc(CC(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)o1 ZINC001600792579 1017732742 /nfs/dbraw/zinc/73/27/42/1017732742.db2.gz QEZMYDVMZZTMLO-VHSXEESVSA-N -1 0 322.321 -0.688 20 0 DBADRM Cc1nnc(CN2CC(CCO)(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001600793885 1017732899 /nfs/dbraw/zinc/73/28/99/1017732899.db2.gz DHGDUYLCCFWDQT-NXEZZACHSA-N -1 0 324.337 -0.848 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)NC[C@]1(C(=O)[O-])CCOC1)CC2 ZINC001600799832 1017732920 /nfs/dbraw/zinc/73/29/20/1017732920.db2.gz FREGICOKBBGZQN-QMTHXVAHSA-N -1 0 308.338 -0.244 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)n1C ZINC001600796428 1017732929 /nfs/dbraw/zinc/73/29/29/1017732929.db2.gz YRIYPTIZNJILEU-UHFFFAOYSA-N -1 0 309.326 -0.937 20 0 DBADRM Cc1nnc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)o1 ZINC001600792580 1017732940 /nfs/dbraw/zinc/73/29/40/1017732940.db2.gz QEZMYDVMZZTMLO-ZJUUUORDSA-N -1 0 322.321 -0.688 20 0 DBADRM Cc1nnc2ccc(C(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)cn12 ZINC001600801264 1017733467 /nfs/dbraw/zinc/73/34/67/1017733467.db2.gz NIQMHVHFHDLPOG-GHMZBOCLSA-N -1 0 304.306 -0.055 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)n1 ZINC001600812776 1017733651 /nfs/dbraw/zinc/73/36/51/1017733651.db2.gz IMCBLWVCHUOUFQ-IONNQARKSA-N -1 0 310.310 -0.642 20 0 DBADRM Cc1nnccc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600800616 1017733735 /nfs/dbraw/zinc/73/37/35/1017733735.db2.gz YKZGGNICLSIGBO-RBLKWDMZSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)[C@H](C)CC(=O)[O-])C2 ZINC001600800771 1017733836 /nfs/dbraw/zinc/73/38/36/1017733836.db2.gz BYNDDPIYRGAADC-SCZZXKLOSA-N -1 0 323.353 -0.504 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)NCCC(=O)[O-] ZINC001600810111 1017734665 /nfs/dbraw/zinc/73/46/65/1017734665.db2.gz VBNFDOROHOVIJB-UHFFFAOYSA-N -1 0 305.312 -0.839 20 0 DBADRM Cc1nnccc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600800609 1017734328 /nfs/dbraw/zinc/73/43/28/1017734328.db2.gz YKZGGNICLSIGBO-BSJXLVFVSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1nnccc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600800613 1017734567 /nfs/dbraw/zinc/73/45/67/1017734567.db2.gz YKZGGNICLSIGBO-IQIPOGNMSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1nnc2ccc(C(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)cn12 ZINC001600801266 1017734682 /nfs/dbraw/zinc/73/46/82/1017734682.db2.gz NIQMHVHFHDLPOG-QWRGUYRKSA-N -1 0 304.306 -0.055 20 0 DBADRM Cc1nonc1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001600817329 1017734885 /nfs/dbraw/zinc/73/48/85/1017734885.db2.gz ANDZXBWYDZMJMZ-CYBMUJFWSA-N -1 0 310.310 -0.620 20 0 DBADRM Cc1nonc1CC(=O)NCCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600818194 1017735034 /nfs/dbraw/zinc/73/50/34/1017735034.db2.gz ZSQRKAZJNSOWNS-RKDXNWHRSA-N -1 0 310.310 -0.736 20 0 DBADRM Cc1noc(CCCNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001600813577 1017735086 /nfs/dbraw/zinc/73/50/86/1017735086.db2.gz WSDVRRBUINNCFO-VHSXEESVSA-N -1 0 312.326 -0.212 20 0 DBADRM Cc1nsc(NC2CC2)c1C(=O)NCC(=O)NCC(=O)[O-] ZINC001600819384 1017735203 /nfs/dbraw/zinc/73/52/03/1017735203.db2.gz BLYXYTLEOGADIC-UHFFFAOYSA-N -1 0 312.351 -0.044 20 0 DBADRM Cc1nonc1C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600817660 1017735377 /nfs/dbraw/zinc/73/53/77/1017735377.db2.gz LBOHTCXOAZURLT-IUCAKERBSA-N -1 0 308.294 -0.713 20 0 DBADRM Cc1nonc1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600817603 1017735586 /nfs/dbraw/zinc/73/55/86/1017735586.db2.gz JALAINBTIZWJJX-XKNYDFJKSA-N -1 0 322.321 -0.277 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600818004 1017735593 /nfs/dbraw/zinc/73/55/93/1017735593.db2.gz UHKSANCOFSKSGU-UTINFBMNSA-N -1 0 322.321 -0.277 20 0 DBADRM Cc1nonc1CC(=O)NCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001600817716 1017736029 /nfs/dbraw/zinc/73/60/29/1017736029.db2.gz NWPFGWRICKMSRT-IUCAKERBSA-N -1 0 310.310 -0.784 20 0 DBADRM Cc1nonc1CC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600817307 1017736050 /nfs/dbraw/zinc/73/60/50/1017736050.db2.gz AIODIBVFAASFEW-NXEZZACHSA-N -1 0 322.321 -0.784 20 0 DBADRM Cc1oc(CNC(=O)C(=O)NCc2cc[nH]n2)cc1C(=O)[O-] ZINC001600845258 1017736572 /nfs/dbraw/zinc/73/65/72/1017736572.db2.gz DCNVGCXXPJUBBL-UHFFFAOYSA-N -1 0 306.278 -0.058 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N(C)[C@H]2CCNC2=O)cc1C(=O)[O-] ZINC001600845454 1017736642 /nfs/dbraw/zinc/73/66/42/1017736642.db2.gz BWWLQEQLBABNEM-JTQLQIEISA-N -1 0 323.305 -0.751 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N2CN(C)C(=O)[C@@H]2C)cc1C(=O)[O-] ZINC001600845606 1017736675 /nfs/dbraw/zinc/73/66/75/1017736675.db2.gz IURRXSOFDCILIG-ZETCQYMHSA-N -1 0 323.305 -0.451 20 0 DBADRM Cc1oc(C(=O)N[C@@H](CCF)C(=O)[O-])cc1S(N)(=O)=O ZINC001600823217 1017736687 /nfs/dbraw/zinc/73/66/87/1017736687.db2.gz IJRDAEVDFRGKND-LURJTMIESA-N -1 0 308.287 -0.222 20 0 DBADRM Cc1oc(COC(=O)Cn2ccc(=O)n(C)c2=O)cc1C(=O)[O-] ZINC001600853554 1017736721 /nfs/dbraw/zinc/73/67/21/1017736721.db2.gz SCUUYOQSDMAWHT-UHFFFAOYSA-N -1 0 322.273 -0.110 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N(C)[C@@H]2CCNC2=O)cc1C(=O)[O-] ZINC001600845459 1017736775 /nfs/dbraw/zinc/73/67/75/1017736775.db2.gz BWWLQEQLBABNEM-SNVBAGLBSA-N -1 0 323.305 -0.751 20 0 DBADRM Cc1oc(S(=O)(=O)N2CC[C@@H](NC(N)=O)C2)cc1C(=O)[O-] ZINC001600856958 1017736973 /nfs/dbraw/zinc/73/69/73/1017736973.db2.gz GFXHWWCFMYJOPN-SSDOTTSWSA-N -1 0 317.323 -0.282 20 0 DBADRM Cc1oc(S(=O)(=O)N2CCN(CCO)CC2)cc1C(=O)[O-] ZINC001600855575 1017737189 /nfs/dbraw/zinc/73/71/89/1017737189.db2.gz QAIIPIZUOOROPV-UHFFFAOYSA-N -1 0 318.351 -0.415 20 0 DBADRM Cc1oc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1S(N)(=O)=O ZINC001600823266 1017737481 /nfs/dbraw/zinc/73/74/81/1017737481.db2.gz LMRLILDAPYDGDG-MTBHXBHISA-N -1 0 314.319 -0.362 20 0 DBADRM Cc1oc(CN2CCN(S(N)(=O)=O)CC2)cc1C(=O)[O-] ZINC001600844362 1017737855 /nfs/dbraw/zinc/73/78/55/1017737855.db2.gz FSQZOANJXHYUOJ-UHFFFAOYSA-N -1 0 303.340 -0.393 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)NCC(F)(F)C(=O)[O-] ZINC001600835494 1017737864 /nfs/dbraw/zinc/73/78/64/1017737864.db2.gz DPAVUFNJEFUVQL-UHFFFAOYSA-N -1 0 312.250 -0.315 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001600858432 1017738321 /nfs/dbraw/zinc/73/83/21/1017738321.db2.gz VTYFZGXVYVFZJG-MRVPVSSYSA-N -1 0 318.307 -0.839 20 0 DBADRM Cc1sc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)C(=O)[O-] ZINC001600889496 1017738440 /nfs/dbraw/zinc/73/84/40/1017738440.db2.gz IYZYXVPMKBBQHW-BYPYZUCNSA-N -1 0 321.332 -0.097 20 0 DBADRM Cc1ocnc1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600861474 1017738877 /nfs/dbraw/zinc/73/88/77/1017738877.db2.gz JZYATEMZRQISHS-RKDXNWHRSA-N -1 0 323.305 -0.993 20 0 DBADRM Cc1occc1C(=O)NCC(=O)N[C@H](Cn1ccnc1)C(=O)[O-] ZINC001600860966 1017739011 /nfs/dbraw/zinc/73/90/11/1017739011.db2.gz XUBHBSZRJUQRDT-LLVKDONJSA-N -1 0 320.305 -0.216 20 0 DBADRM Cc1occc(=O)c1OCC(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001600859969 1017739232 /nfs/dbraw/zinc/73/92/32/1017739232.db2.gz ZBDPDUUXMVSYFD-UHFFFAOYSA-N -1 0 311.290 -0.331 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001600858433 1017739407 /nfs/dbraw/zinc/73/94/07/1017739407.db2.gz VTYFZGXVYVFZJG-QMMMGPOBSA-N -1 0 318.307 -0.839 20 0 DBADRM Cn1c(-c2cnc(CO)cn2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001600893809 1017739563 /nfs/dbraw/zinc/73/95/63/1017739563.db2.gz RNIBFEGGGBLVLV-MRVPVSSYSA-N -1 0 304.310 -0.325 20 0 DBADRM Cn1c2[nH]c(CCC(=O)NC3(C(=O)[O-])CC3)nc2c(=O)[nH]c1=O ZINC001600893831 1017739587 /nfs/dbraw/zinc/73/95/87/1017739587.db2.gz SHJNINMXANPVBS-UHFFFAOYSA-N -1 0 321.293 -0.972 20 0 DBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600859007 1017739637 /nfs/dbraw/zinc/73/96/37/1017739637.db2.gz JKHLHBNKNRBVNR-UHFFFAOYSA-N -1 0 307.262 -0.894 20 0 DBADRM Cc1occc1C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600860440 1017739784 /nfs/dbraw/zinc/73/97/84/1017739784.db2.gz IBPCTFSAUTULEK-WDEREUQCSA-N -1 0 322.317 -0.388 20 0 DBADRM Cc1oncc1CN1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001600863411 1017739812 /nfs/dbraw/zinc/73/98/12/1017739812.db2.gz HXIBVWHUPJVUIQ-UWVGGRQHSA-N -1 0 308.294 -0.438 20 0 DBADRM Cn1c(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c[nH]c1=O ZINC001600900229 1017740569 /nfs/dbraw/zinc/74/05/69/1017740569.db2.gz MBZLGPFKUSMKOS-DTWKUNHWSA-N -1 0 322.321 -0.965 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001600903908 1017740624 /nfs/dbraw/zinc/74/06/24/1017740624.db2.gz MCRLLUMJNPEFBG-AWEZNQCLSA-N -1 0 323.305 -0.326 20 0 DBADRM Cn1c(=O)cccc1C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001600899602 1017740748 /nfs/dbraw/zinc/74/07/48/1017740748.db2.gz OHOCURHRZULHSN-CQSZACIVSA-N -1 0 305.290 -0.169 20 0 DBADRM Cn1c2ncn(CC(=O)C(C)(C)C(=O)[O-])c2c(=O)n(C)c1=O ZINC001600895426 1017740910 /nfs/dbraw/zinc/74/09/10/1017740910.db2.gz SWIOLNDCLMOFDR-UHFFFAOYSA-N -1 0 308.294 -0.886 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NCc2ccc(C(=O)[O-])s2)c1=O ZINC001600896511 1017741485 /nfs/dbraw/zinc/74/14/85/1017741485.db2.gz MIDWBFJCOCHYQQ-UHFFFAOYSA-N -1 0 323.330 -0.377 20 0 DBADRM Cn1c(=O)oc2cc(NC(=O)C(=O)NC3(C(=O)[O-])CC3)ccc21 ZINC001600897534 1017741527 /nfs/dbraw/zinc/74/15/27/1017741527.db2.gz CFPZVZKJNYLPFX-UHFFFAOYSA-N -1 0 319.273 -0.197 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001600904536 1017742448 /nfs/dbraw/zinc/74/24/48/1017742448.db2.gz AFNCYBRPUNCVGZ-VIFPVBQESA-N -1 0 306.278 -0.901 20 0 DBADRM Cn1c(CS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001600918486 1017742526 /nfs/dbraw/zinc/74/25/26/1017742526.db2.gz SKHUHZZUGYWLBX-LLVKDONJSA-N -1 0 302.356 -0.339 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NCCOCCS(C)(=O)=O ZINC001600904632 1017742731 /nfs/dbraw/zinc/74/27/31/1017742731.db2.gz VEUPJLVCGVCUEM-UHFFFAOYSA-N -1 0 318.351 -0.486 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001600904535 1017742810 /nfs/dbraw/zinc/74/28/10/1017742810.db2.gz AFNCYBRPUNCVGZ-SECBINFHSA-N -1 0 306.278 -0.901 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001600904037 1017743115 /nfs/dbraw/zinc/74/31/15/1017743115.db2.gz OSPCDIBVEIZNIG-UHFFFAOYSA-N -1 0 315.351 -0.336 20 0 DBADRM Cn1c(CO)nnc1S[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001600918331 1017743143 /nfs/dbraw/zinc/74/31/43/1017743143.db2.gz FHFWOTWNGQQYKG-MRVPVSSYSA-N -1 0 314.367 -0.135 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N[C@H]1CCCN(CC(N)=O)C1 ZINC001600905145 1017743402 /nfs/dbraw/zinc/74/34/02/1017743402.db2.gz XDRMTVRMOLGKMF-VIFPVBQESA-N -1 0 308.338 -0.597 20 0 DBADRM Cn1c(CN2CCC[C@@H](O)C2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001600915270 1017743624 /nfs/dbraw/zinc/74/36/24/1017743624.db2.gz XONGGEUSNOEKAU-WDEREUQCSA-N -1 0 309.370 -0.317 20 0 DBADRM CN1C(=O)N=NC1CNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001600915582 1017743971 /nfs/dbraw/zinc/74/39/71/1017743971.db2.gz BLJPMWLLWUGBMV-UHFFFAOYSA-N -1 0 304.328 -0.805 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCN(c2nccnn2)CC1 ZINC001600905987 1017744003 /nfs/dbraw/zinc/74/40/03/1017744003.db2.gz WCZYIZUYQHIYSK-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NC[C@H](O)CN1CCCC1=O ZINC001600904870 1017744127 /nfs/dbraw/zinc/74/41/27/1017744127.db2.gz ZERUAHKKIAPYPS-VIFPVBQESA-N -1 0 309.322 -0.564 20 0 DBADRM Cn1cc(C(=O)CN2C(=O)N[C@@](C)(CCC(=O)[O-])C2=O)nn1 ZINC001600928047 1017744895 /nfs/dbraw/zinc/74/48/95/1017744895.db2.gz QFPWXSNKZYVAHE-LBPRGKRZSA-N -1 0 309.282 -0.827 20 0 DBADRM Cn1cc(-c2nn(C)cc2C(=O)NC[C@H](O)CC(=O)[O-])cn1 ZINC001600924611 1017744910 /nfs/dbraw/zinc/74/49/10/1017744910.db2.gz IVZBGNXSARXUKZ-SECBINFHSA-N -1 0 307.310 -0.614 20 0 DBADRM Cn1cc(C(=O)C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])cn1 ZINC001600927869 1017744956 /nfs/dbraw/zinc/74/49/56/1017744956.db2.gz IZMVXJWCKNMTLH-CYBMUJFWSA-N -1 0 305.294 -0.541 20 0 DBADRM Cn1cc(C(=O)N2CCCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cn1 ZINC001600928168 1017745268 /nfs/dbraw/zinc/74/52/68/1017745268.db2.gz FLVPUKQFTXXLLB-RYUDHWBXSA-N -1 0 320.349 -0.185 20 0 DBADRM Cn1cc(Br)c(C(=O)NC[C@H](O)C(=O)[O-])cc1=O ZINC001600925612 1017745215 /nfs/dbraw/zinc/74/52/15/1017745215.db2.gz GQUFTELXKACGDX-ZETCQYMHSA-N -1 0 319.111 -0.677 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001600919969 1017745377 /nfs/dbraw/zinc/74/53/77/1017745377.db2.gz LMVLMYKXYSFTTK-UHFFFAOYSA-N -1 0 309.311 -0.086 20 0 DBADRM Cn1cc(C(=O)CCC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001600927762 1017745431 /nfs/dbraw/zinc/74/54/31/1017745431.db2.gz CNWYHZCDFKLOFU-ONGXEEELSA-N -1 0 309.322 -0.323 20 0 DBADRM Cn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1[C@@]1(O)CCSC1 ZINC001600920205 1017745898 /nfs/dbraw/zinc/74/58/98/1017745898.db2.gz JMYMQZGONZVHIU-QPUJVOFHSA-N -1 0 314.367 -0.571 20 0 DBADRM Cn1cc(-c2ncc(C(=O)N3CC(O)(C(=O)[O-])C3)s2)cn1 ZINC001600923992 1017745959 /nfs/dbraw/zinc/74/59/59/1017745959.db2.gz LUYJQMLIGQBEDX-UHFFFAOYSA-N -1 0 308.319 -0.185 20 0 DBADRM Cn1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC001600929635 1017746603 /nfs/dbraw/zinc/74/66/03/1017746603.db2.gz YZCMXRRFXNIBKF-QXFUBDJGSA-N -1 0 307.306 -0.189 20 0 DBADRM Cn1cc(C(=O)CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)cn1 ZINC001600928417 1017746924 /nfs/dbraw/zinc/74/69/24/1017746924.db2.gz URBMRXGGFGXIIT-JTQLQIEISA-N -1 0 322.321 -0.958 20 0 DBADRM Cn1cc(C(=O)NCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C2CC2)nn1 ZINC001600930952 1017747084 /nfs/dbraw/zinc/74/70/84/1017747084.db2.gz WOSDFQLKBSEEFI-VHSXEESVSA-N -1 0 321.337 -0.743 20 0 DBADRM Cn1cc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cc1C=O ZINC001600929557 1017748117 /nfs/dbraw/zinc/74/81/17/1017748117.db2.gz UGTGTNFQSVWCSV-UHFFFAOYSA-N -1 0 303.278 -0.176 20 0 DBADRM Cn1cc(C(=O)N2CCN(c3ncc(C(=O)[O-])cn3)CC2)cn1 ZINC001600928921 1017748384 /nfs/dbraw/zinc/74/83/84/1017748384.db2.gz RCRHGVQSIXXSIH-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)n1 ZINC001600933099 1017749002 /nfs/dbraw/zinc/74/90/02/1017749002.db2.gz PPVUGARCXHCFTI-SSDOTTSWSA-N -1 0 316.339 -0.231 20 0 DBADRM Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)COCC(=O)[O-])cn1 ZINC001600943812 1017749444 /nfs/dbraw/zinc/74/94/44/1017749444.db2.gz MURXNUWYCQAXEZ-CHNSCGDPSA-N -1 0 315.351 -0.847 20 0 DBADRM Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)COCC(=O)[O-])cn1 ZINC001600943815 1017749888 /nfs/dbraw/zinc/74/98/88/1017749888.db2.gz MURXNUWYCQAXEZ-UZJPJQLHSA-N -1 0 315.351 -0.847 20 0 DBADRM Cn1cc(/C=C(\CN2CCC(=O)CC2)C(=O)[O-])c(=O)n(C)c1=O ZINC001600946689 1017750370 /nfs/dbraw/zinc/75/03/70/1017750370.db2.gz OJUJVFNFXYBLPS-YRNVUSSQSA-N -1 0 321.333 -0.783 20 0 DBADRM Cn1cc([C@H](O)CNS(=O)(=O)CC2(C(=O)[O-])CC2)cn1 ZINC001600942615 1017750850 /nfs/dbraw/zinc/75/08/50/1017750850.db2.gz KPWSFEYZJSDLQR-SECBINFHSA-N -1 0 303.340 -0.762 20 0 DBADRM Cn1cc(C(=O)O[C@@H]2CCCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001600941529 1017750921 /nfs/dbraw/zinc/75/09/21/1017750921.db2.gz PGWOFSRCNBOIKI-WCBMZHEXSA-N -1 0 310.306 -0.116 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)N[C@@]3(C(=O)[O-])CCOC3)C2)cn1 ZINC001600944730 1017750976 /nfs/dbraw/zinc/75/09/76/1017750976.db2.gz KALMBNXIWOXKLI-MFKMUULPSA-N -1 0 308.294 -0.727 20 0 DBADRM Cn1cc(CN2CCC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001600951685 1017751677 /nfs/dbraw/zinc/75/16/77/1017751677.db2.gz JJJQATAVOFFKTM-VXGBXAGGSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1cc(C[C@H](CO)CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cn1 ZINC001600949140 1017751852 /nfs/dbraw/zinc/75/18/52/1017751852.db2.gz YQJWZYMCLKDQGZ-TUAOUCFPSA-N -1 0 311.338 -0.681 20 0 DBADRM Cn1cc(CC2CN(C(=O)Cn3cc(C(=O)[O-])nn3)C2)cn1 ZINC001600948728 1017751874 /nfs/dbraw/zinc/75/18/74/1017751874.db2.gz BRFCCRGDFFLWAJ-UHFFFAOYSA-N -1 0 304.310 -0.589 20 0 DBADRM Cn1cc(CCCNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])cn1 ZINC001600950485 1017752370 /nfs/dbraw/zinc/75/23/70/1017752370.db2.gz XGCKLTAUZURMMX-GFCCVEGCSA-N -1 0 322.365 -0.065 20 0 DBADRM Cn1cc(C[C@@H](CO)NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cn1 ZINC001600947752 1017752801 /nfs/dbraw/zinc/75/28/01/1017752801.db2.gz NVYPZBUKTPVNCX-GARJFASQSA-N -1 0 317.367 -0.894 20 0 DBADRM Cn1cc(CN2CCC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001600951684 1017752931 /nfs/dbraw/zinc/75/29/31/1017752931.db2.gz JJJQATAVOFFKTM-RYUDHWBXSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1cc(CCC(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)nn1 ZINC001600949358 1017753018 /nfs/dbraw/zinc/75/30/18/1017753018.db2.gz ZGIPAIWPHZSUPD-JTQLQIEISA-N -1 0 310.310 -0.634 20 0 DBADRM Cn1cc(CCCN2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)cn1 ZINC001600950522 1017753121 /nfs/dbraw/zinc/75/31/21/1017753121.db2.gz XYSXXRULLBNXCQ-GMTAPVOTSA-N -1 0 306.322 -0.006 20 0 DBADRM Cn1cc(CCC(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001600948979 1017753138 /nfs/dbraw/zinc/75/31/38/1017753138.db2.gz QTBWOFNGKRJAIG-RYUDHWBXSA-N -1 0 320.349 -0.600 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CC[C@@](F)(CO)C2)cc1C(=O)[O-] ZINC001600958392 1017754702 /nfs/dbraw/zinc/75/47/02/1017754702.db2.gz DJSFHYRGYZOBRQ-ZDUSSCGKSA-N -1 0 313.285 -0.405 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c(C2CC2)n1 ZINC001600958969 1017755511 /nfs/dbraw/zinc/75/55/11/1017755511.db2.gz MMRBKBHLTTWYBJ-JTQLQIEISA-N -1 0 322.321 -0.452 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])nn1 ZINC001600959277 1017755632 /nfs/dbraw/zinc/75/56/32/1017755632.db2.gz QPXQLZVOAKULLJ-OYNCUSHFSA-N -1 0 307.310 -0.535 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])nc1Cl ZINC001600966835 1017756197 /nfs/dbraw/zinc/75/61/97/1017756197.db2.gz HXXCQDQBGDJIJN-POYBYMJQSA-N -1 0 323.758 -0.328 20 0 DBADRM Cn1cc(NC(=O)NC[C@H]2CC(C(N)=O)=NO2)cc1C(=O)[O-] ZINC001600964427 1017756283 /nfs/dbraw/zinc/75/62/83/1017756283.db2.gz JHYKPECYWJDFSK-SSDOTTSWSA-N -1 0 309.282 -0.525 20 0 DBADRM Cn1cc(NC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001600963164 1017756377 /nfs/dbraw/zinc/75/63/77/1017756377.db2.gz USTRTAFYUFLMPG-AWEZNQCLSA-N -1 0 323.353 -0.187 20 0 DBADRM Cn1ccnc1CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001600960135 1017756415 /nfs/dbraw/zinc/75/64/15/1017756415.db2.gz JEBOTZXXONCIOJ-UHFFFAOYSA-N -1 0 305.294 -0.288 20 0 DBADRM Cn1cc(NC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)nn1 ZINC001600963207 1017756763 /nfs/dbraw/zinc/75/67/63/1017756763.db2.gz WEHXWYUOPLTVQA-SSDOTTSWSA-N -1 0 306.286 -0.416 20 0 DBADRM Cn1cc(NC(=O)c2cnn(C[C@@H](O)CO)c2)cc1C(=O)[O-] ZINC001600965792 1017756817 /nfs/dbraw/zinc/75/68/17/1017756817.db2.gz UYFVYAJJALXLTA-SNVBAGLBSA-N -1 0 308.294 -0.475 20 0 DBADRM Cn1cc(NC(=O)N2CC(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC001600962880 1017757263 /nfs/dbraw/zinc/75/72/63/1017757263.db2.gz CPLLGWNNBXCFSR-UHFFFAOYSA-N -1 0 301.324 -0.016 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])c(=O)[nH]c1=O ZINC001600967876 1017757991 /nfs/dbraw/zinc/75/79/91/1017757991.db2.gz JOVZSQNIYQCIBI-ZETCQYMHSA-N -1 0 317.323 -0.983 20 0 DBADRM Cn1ccc(C(=O)NC[C@H](O)CNc2ncc(C(=O)[O-])cn2)c1 ZINC001600972540 1017759798 /nfs/dbraw/zinc/75/97/98/1017759798.db2.gz HPWAVOGHFZJXTB-NSHDSACASA-N -1 0 319.321 -0.284 20 0 DBADRM Cn1ccc(-c2cc(C(=O)NCC(=O)NCC(=O)[O-])[nH]n2)c1 ZINC001600970792 1017760170 /nfs/dbraw/zinc/76/01/70/1017760170.db2.gz JVRXRYRKUYILNL-UHFFFAOYSA-N -1 0 305.294 -0.654 20 0 DBADRM Cn1ccc(C(=O)N2CCCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001600971273 1017760366 /nfs/dbraw/zinc/76/03/66/1017760366.db2.gz REGDPSJQTIRRLD-WDEREUQCSA-N -1 0 320.349 -0.185 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c(C(F)(F)F)n1 ZINC001600968388 1017760735 /nfs/dbraw/zinc/76/07/35/1017760735.db2.gz JWLNHQTURDUHCK-BYPYZUCNSA-N -1 0 317.245 -0.837 20 0 DBADRM Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cn1 ZINC001600969304 1017762252 /nfs/dbraw/zinc/76/22/52/1017762252.db2.gz ASJYDHBRIQIPJE-TUAOUCFPSA-N -1 0 320.349 -0.285 20 0 DBADRM Cn1ccc(CCNC(=O)COCc2ocnc2C(=O)[O-])n1 ZINC001600975808 1017762655 /nfs/dbraw/zinc/76/26/55/1017762655.db2.gz MAZWKCCDINJGIT-UHFFFAOYSA-N -1 0 308.294 -0.018 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)N2CCC(CC(=O)[O-])CC2)n1 ZINC001600976937 1017762858 /nfs/dbraw/zinc/76/28/58/1017762858.db2.gz ZOSNVVPNSSWSKL-UHFFFAOYSA-N -1 0 322.365 -0.208 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])n1 ZINC001600977751 1017763102 /nfs/dbraw/zinc/76/31/02/1017763102.db2.gz KZKBIKDTUGSENN-BDAKNGLRSA-N -1 0 303.340 -0.279 20 0 DBADRM Cn1ccc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600972748 1017763347 /nfs/dbraw/zinc/76/33/47/1017763347.db2.gz UWIKWVMYLAWSAW-NBYFHADBSA-N -1 0 306.322 -0.457 20 0 DBADRM Cn1ccc(CCNC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)n1 ZINC001600975334 1017763611 /nfs/dbraw/zinc/76/36/11/1017763611.db2.gz HOONJLJTULVHME-AWEZNQCLSA-N -1 0 321.337 -0.022 20 0 DBADRM Cn1ccc(CCC(=O)NCCNc2ccnc(C(=O)[O-])n2)n1 ZINC001600974949 1017763751 /nfs/dbraw/zinc/76/37/51/1017763751.db2.gz CFJKCXHGKYEKJG-UHFFFAOYSA-N -1 0 318.337 -0.509 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)n1 ZINC001600975301 1017763789 /nfs/dbraw/zinc/76/37/89/1017763789.db2.gz HFHWAVUCPWJPHQ-UHFFFAOYSA-N -1 0 320.309 -0.851 20 0 DBADRM Cn1ccc([C@@H](NC(=O)c2nnn(C(C)(C)C)n2)C(=O)[O-])n1 ZINC001600974400 1017764045 /nfs/dbraw/zinc/76/40/45/1017764045.db2.gz DSNWRUPVOCZGOJ-MRVPVSSYSA-N -1 0 307.314 -0.283 20 0 DBADRM Cn1ccc(Cn2cnc3c(cnn3CC(=O)[O-])c2=O)cc1=O ZINC001600974453 1017764927 /nfs/dbraw/zinc/76/49/27/1017764927.db2.gz AAFNNPWXVBFPQZ-UHFFFAOYSA-N -1 0 315.289 -0.575 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])n1 ZINC001600976894 1017765619 /nfs/dbraw/zinc/76/56/19/1017765619.db2.gz YIQFKOOPCZENBC-NSHDSACASA-N -1 0 308.338 -0.456 20 0 DBADRM Cn1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[C@H]4C(=O)[O-])C[C@H]32)c1 ZINC001600972762 1017765638 /nfs/dbraw/zinc/76/56/38/1017765638.db2.gz WAVKVIMNJNNNOA-OBPIAQAESA-N -1 0 317.345 -0.068 20 0 DBADRM Cn1ccc(CC(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])n1 ZINC001600973890 1017765783 /nfs/dbraw/zinc/76/57/83/1017765783.db2.gz KDVVAUFOGYWXKY-JTQLQIEISA-N -1 0 315.351 -0.937 20 0 DBADRM Cn1ccnc1CNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600987002 1017766288 /nfs/dbraw/zinc/76/62/88/1017766288.db2.gz JIPHQYOPXAXJFG-SECBINFHSA-N -1 0 319.325 -0.134 20 0 DBADRM Cn1cccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)c1=O ZINC001600979390 1017766311 /nfs/dbraw/zinc/76/63/11/1017766311.db2.gz HYUJZJGCRODJJQ-VIFPVBQESA-N -1 0 307.306 -0.353 20 0 DBADRM Cn1ccnc1[C@@H](NC(=O)N1CC(O)(C(=O)[O-])C1)C(F)(F)F ZINC001600982049 1017766528 /nfs/dbraw/zinc/76/65/28/1017766528.db2.gz UGTYHHKGMYYTID-ZCFIWIBFSA-N -1 0 322.243 -0.136 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2CCN(c3ncc(C(=O)[O-])cn3)C2)n1 ZINC001600986599 1017766633 /nfs/dbraw/zinc/76/66/33/1017766633.db2.gz BZDWQNUSYMFQPH-VIFPVBQESA-N -1 0 317.309 -0.688 20 0 DBADRM Cn1ccn2c(CNC(=O)NCCCCC(=O)[O-])nnc2c1=O ZINC001600980478 1017768499 /nfs/dbraw/zinc/76/84/99/1017768499.db2.gz FRNVOHHDRDQWAX-UHFFFAOYSA-N -1 0 322.325 -0.518 20 0 DBADRM Cn1ccnc1CNCCN(CCO)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600986394 1017768537 /nfs/dbraw/zinc/76/85/37/1017768537.db2.gz BMHQDIDOPBXNKW-MNOVXSKESA-N -1 0 310.354 -0.949 20 0 DBADRM Cn1ccn2c(CNC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)nnc2c1=O ZINC001600980796 1017769386 /nfs/dbraw/zinc/76/93/86/1017769386.db2.gz KZFJRXRTSCQNOW-OCAPTIKFSA-N -1 0 305.294 -0.845 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1cn[nH]n1 ZINC001498386154 1017770599 /nfs/dbraw/zinc/77/05/99/1017770599.db2.gz OKHASZADYADMDU-QMMMGPOBSA-N -1 0 308.346 -0.802 20 0 DBADRM Cn1cnc(NC(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1=O ZINC001600989748 1017770687 /nfs/dbraw/zinc/77/06/87/1017770687.db2.gz QMNWYFUJGPLQAL-RKDXNWHRSA-N -1 0 310.310 -0.361 20 0 DBADRM Cn1cnc(CCNC(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)c1 ZINC001600988931 1017772611 /nfs/dbraw/zinc/77/26/11/1017772611.db2.gz OJUDDHQTVDHRTJ-LLVKDONJSA-N -1 0 322.365 -0.304 20 0 DBADRM Cn1cnc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001600989529 1017772897 /nfs/dbraw/zinc/77/28/97/1017772897.db2.gz LGEOFOXLDGNJKY-UHFFFAOYSA-N -1 0 302.356 -0.449 20 0 DBADRM Cn1ccnc1COCC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001600987452 1017773089 /nfs/dbraw/zinc/77/30/89/1017773089.db2.gz SIYCARIKZBEDIK-UHFFFAOYSA-N -1 0 312.326 -0.966 20 0 DBADRM Cn1cnc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600988113 1017773124 /nfs/dbraw/zinc/77/31/24/1017773124.db2.gz ZOOCPVRUGWWLSN-QCLAVDOMSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001600994301 1017773647 /nfs/dbraw/zinc/77/36/47/1017773647.db2.gz NJYOTPCCZKNTAP-OPRDCNLKSA-N -1 0 306.322 -0.675 20 0 DBADRM Cn1cnn(CCC(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)c1=O ZINC001600994244 1017774514 /nfs/dbraw/zinc/77/45/14/1017774514.db2.gz FAPAUJHTCMISBQ-UHFFFAOYSA-N -1 0 307.266 -0.591 20 0 DBADRM Cn1cnn(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c1=S ZINC001600994092 1017774767 /nfs/dbraw/zinc/77/47/67/1017774767.db2.gz AMDGQWQTAXDTAR-MRVPVSSYSA-N -1 0 320.396 -0.518 20 0 DBADRM Cn1cncc1C(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001600992834 1017774863 /nfs/dbraw/zinc/77/48/63/1017774863.db2.gz WVBSYFFXTSZRRG-KYZUINATSA-N -1 0 316.321 -0.297 20 0 DBADRM Cn1cnn(CC(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1=O ZINC001600995009 1017775830 /nfs/dbraw/zinc/77/58/30/1017775830.db2.gz BHVMTJAEWWIHBC-NSHDSACASA-N -1 0 308.269 -0.337 20 0 DBADRM Cn1cncc1C(=O)NC[C@@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001600992838 1017776734 /nfs/dbraw/zinc/77/67/34/1017776734.db2.gz WWYSEOAQJYTAHF-SECBINFHSA-N -1 0 320.309 -0.889 20 0 DBADRM Cn1cnnc1[C@H](CO)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001600994121 1017776803 /nfs/dbraw/zinc/77/68/03/1017776803.db2.gz BHLCEXUFJCSIPJ-NSHDSACASA-N -1 0 304.306 -0.094 20 0 DBADRM Cn1cnn(CCC(=O)NCc2ccccc2CC(=O)[O-])c1=O ZINC001600994757 1017777137 /nfs/dbraw/zinc/77/71/37/1017777137.db2.gz ULIAMRINLRMFGQ-UHFFFAOYSA-N -1 0 318.333 -0.085 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001600994491 1017777291 /nfs/dbraw/zinc/77/72/91/1017777291.db2.gz VJHZOWUTHQCFOH-OPRDCNLKSA-N -1 0 309.322 -0.144 20 0 DBADRM Cn1cnnc1S(=O)(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001600995355 1017777426 /nfs/dbraw/zinc/77/74/26/1017777426.db2.gz PMIYAOFHJRRVJX-DTWKUNHWSA-N -1 0 318.355 -0.637 20 0 DBADRM Cn1cnn(CC(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)c1=O ZINC001600995252 1017777480 /nfs/dbraw/zinc/77/74/80/1017777480.db2.gz HMCCKFVGCLJAIR-LLVKDONJSA-N -1 0 306.278 -0.771 20 0 DBADRM Cn1cnnc1SCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC001600995691 1017779668 /nfs/dbraw/zinc/77/96/68/1017779668.db2.gz ZCQUIFFPCAKOPX-UHFFFAOYSA-N -1 0 314.367 -0.001 20 0 DBADRM Cn1nc(NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC001601014113 1017783523 /nfs/dbraw/zinc/78/35/23/1017783523.db2.gz NCNGVLFZPYQYFM-SSDOTTSWSA-N -1 0 316.339 -0.231 20 0 DBADRM Cn1nc(C2CC2)cc1C(=O)NCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001601012515 1017783934 /nfs/dbraw/zinc/78/39/34/1017783934.db2.gz AUXNMFBJGZHQLZ-NXEZZACHSA-N -1 0 320.349 -0.136 20 0 DBADRM Cn1nc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])cc1C=O ZINC001601012473 1017784147 /nfs/dbraw/zinc/78/41/47/1017784147.db2.gz MRLHWBSLOBFQMA-SECBINFHSA-N -1 0 311.294 -0.431 20 0 DBADRM Cn1ncc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001601021572 1017784730 /nfs/dbraw/zinc/78/47/30/1017784730.db2.gz HDPUVJAPBLHPIS-ZYUZMQFOSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@H]1CCCCO1 ZINC001601022585 1017785435 /nfs/dbraw/zinc/78/54/35/1017785435.db2.gz FDRWQRBKQFKBGG-MRVPVSSYSA-N -1 0 310.310 -0.258 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CC2(C1)CCCO2 ZINC001601022278 1017786498 /nfs/dbraw/zinc/78/64/98/1017786498.db2.gz WGULUSHJQWLBFF-UHFFFAOYSA-N -1 0 308.294 -0.552 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC001601022953 1017786628 /nfs/dbraw/zinc/78/66/28/1017786628.db2.gz JBRVOBHFFPLKQN-DTWKUNHWSA-N -1 0 324.337 -0.276 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@@H]1CCCCO1 ZINC001601022752 1017787455 /nfs/dbraw/zinc/78/74/55/1017787455.db2.gz FDRWQRBKQFKBGG-QMMMGPOBSA-N -1 0 310.310 -0.258 20 0 DBADRM Cn1ncc2c1nc(CN1CCO[C@H](CC(=O)[O-])C1)[nH]c2=O ZINC001601029571 1017787970 /nfs/dbraw/zinc/78/79/70/1017787970.db2.gz ITNGEOLIYRUGCU-MRVPVSSYSA-N -1 0 307.310 -0.256 20 0 DBADRM Cn1ncc2c1nc(N)nc2N1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001601030558 1017788979 /nfs/dbraw/zinc/78/89/79/1017788979.db2.gz CHXYWLYUHVOALS-UHFFFAOYSA-N -1 0 314.309 -0.071 20 0 DBADRM Cn1nccc1C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601031436 1017789516 /nfs/dbraw/zinc/78/95/16/1017789516.db2.gz CQZFSEQBTIEREZ-GHMZBOCLSA-N -1 0 320.349 -0.185 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N[C@@H](Cn1ccnc1)C(=O)[O-])CC2 ZINC001601030539 1017790019 /nfs/dbraw/zinc/79/00/19/1017790019.db2.gz BYVGVVRUDZEORR-PWSUYJOCSA-N -1 0 317.349 -0.009 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)OCC(=O)NCCC(=O)[O-])CC2 ZINC001601030364 1017790331 /nfs/dbraw/zinc/79/03/31/1017790331.db2.gz GLDBMHJZVWAJOG-SECBINFHSA-N -1 0 309.322 -0.341 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CCn1cnccc1=O)C(=O)[O-] ZINC001601033233 1017793048 /nfs/dbraw/zinc/79/30/48/1017793048.db2.gz XZSYDAJYMWRSBQ-LBPRGKRZSA-N -1 0 305.294 -0.691 20 0 DBADRM Cn1nccc1CC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601037908 1017794733 /nfs/dbraw/zinc/79/47/33/1017794733.db2.gz NDIFQBGFKYFNMR-NWDGAFQWSA-N -1 0 320.349 -0.646 20 0 DBADRM Cn1nccc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001601038069 1017794970 /nfs/dbraw/zinc/79/49/70/1017794970.db2.gz OVNFTAXKDZPXFV-BSJXLVFVSA-N -1 0 320.349 -0.553 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC001601038752 1017795536 /nfs/dbraw/zinc/79/55/36/1017795536.db2.gz KHWRDPIPKUDAEZ-UHFFFAOYSA-N -1 0 308.319 -0.082 20 0 DBADRM Cn1nccc1[C@@H]1COCCN1C(=O)NCCOCC(=O)[O-] ZINC001601037596 1017796534 /nfs/dbraw/zinc/79/65/34/1017796534.db2.gz IXICVZQTIDMFEB-NSHDSACASA-N -1 0 312.326 -0.396 20 0 DBADRM Cn1nccc1S(=O)(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001601040222 1017798250 /nfs/dbraw/zinc/79/82/50/1017798250.db2.gz VAXRPPPNHBKUBK-MRVPVSSYSA-N -1 0 305.381 -0.142 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)CC2 ZINC001601042151 1017798269 /nfs/dbraw/zinc/79/82/69/1017798269.db2.gz ILQMDVIDIDPCCG-NXEZZACHSA-N -1 0 308.338 -0.378 20 0 DBADRM Cn1nccc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001601039895 1017798616 /nfs/dbraw/zinc/79/86/16/1017798616.db2.gz VCHLLQLAXJHQQJ-FHUSYTEZSA-N -1 0 304.350 -0.313 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)NC1(C(=O)[O-])CC(CO)C1)CC2 ZINC001601042365 1017799471 /nfs/dbraw/zinc/79/94/71/1017799471.db2.gz LNJXZAHWNKAGOQ-PUUHTONNSA-N -1 0 308.338 -0.738 20 0 DBADRM Cn1[nH]cnc1=NC(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001601040092 1017799801 /nfs/dbraw/zinc/79/98/01/1017799801.db2.gz SXHKXRCAKNXCFY-UHFFFAOYSA-N -1 0 323.353 -0.149 20 0 DBADRM Cn1nnc2ccc(C(=O)NCCC(=O)NCCC(=O)[O-])cc21 ZINC001601042176 1017799947 /nfs/dbraw/zinc/79/99/47/1017799947.db2.gz JELLRDUOPZMVHK-UHFFFAOYSA-N -1 0 319.321 -0.321 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N[C@]1(CC(=O)[O-])CCOC1)CC2 ZINC001601043205 1017800920 /nfs/dbraw/zinc/80/09/20/1017800920.db2.gz QZVNUBIUPDWUCZ-XPTSAGLGSA-N -1 0 308.338 -0.330 20 0 DBADRM Cn1nnc2c1CC[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C2 ZINC001601044054 1017800933 /nfs/dbraw/zinc/80/09/33/1017800933.db2.gz YZDHKMRJAILCTL-HLTSFMKQSA-N -1 0 314.367 -0.545 20 0 DBADRM Cn1nncc1CNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001601043552 1017800963 /nfs/dbraw/zinc/80/09/63/1017800963.db2.gz XWPIESAZMYDSHL-TVQRCGJNSA-N -1 0 309.326 -0.552 20 0 DBADRM Cn1nnc2c1CC[C@H](NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C2 ZINC001601043896 1017800977 /nfs/dbraw/zinc/80/09/77/1017800977.db2.gz QPCBPKWIKREFPM-VDDIYKPWSA-N -1 0 323.353 -0.539 20 0 DBADRM Cn1nnnc1CCCNC(=O)NCc1ccc(C(=O)[O-])o1 ZINC001601044171 1017801296 /nfs/dbraw/zinc/80/12/96/1017801296.db2.gz GYCJNOKENCDYLE-UHFFFAOYSA-N -1 0 308.298 -0.067 20 0 DBADRM Cn1nnnc1CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC001601046588 1017801706 /nfs/dbraw/zinc/80/17/06/1017801706.db2.gz ODWILZULCVVCRA-WDEREUQCSA-N -1 0 322.369 -0.599 20 0 DBADRM Cn1nnnc1CN1CCC(C)(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601046620 1017801741 /nfs/dbraw/zinc/80/17/41/1017801741.db2.gz OPFCHNLJILPMSJ-ZJUUUORDSA-N -1 0 322.369 -0.599 20 0 DBADRM NC(=NOCC(=O)N1CCC(C(=O)[O-])CC1)c1cnccn1 ZINC001601137022 1017807955 /nfs/dbraw/zinc/80/79/55/1017807955.db2.gz PKPMNWNLVQSOCE-UHFFFAOYSA-N -1 0 307.310 -0.354 20 0 DBADRM NC(=O)C(=O)NCCCCCCNc1ccnc(C(=O)[O-])n1 ZINC001601137924 1017808729 /nfs/dbraw/zinc/80/87/29/1017808729.db2.gz ZNRXESDFELBAIM-UHFFFAOYSA-N -1 0 309.326 -0.830 20 0 DBADRM NC(=O)C(=O)NC1(CNc2ccnc(C(=O)[O-])n2)CCCCC1 ZINC001601137450 1017809020 /nfs/dbraw/zinc/80/90/20/1017809020.db2.gz RFEKPSSPVLUJRH-UHFFFAOYSA-N -1 0 321.337 -0.687 20 0 DBADRM NC(=O)[C@@H](NC(=O)Cn1cc(C(=O)[O-])cn1)c1ccccn1 ZINC001601137654 1017809037 /nfs/dbraw/zinc/80/90/37/1017809037.db2.gz BUGBDGDFAIOKOP-NSHDSACASA-N -1 0 303.278 -0.681 20 0 DBADRM NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(C(=O)[O-])n1)C2 ZINC001601137511 1017809371 /nfs/dbraw/zinc/80/93/71/1017809371.db2.gz UDLIBRYXCWVTHZ-CIUDSAMLSA-N -1 0 319.321 -0.866 20 0 DBADRM NC(=O)[C@@H]1CC(C(=O)NC2(C(=O)[O-])CC2)=NN1c1ccccc1 ZINC001601141268 1017809564 /nfs/dbraw/zinc/80/95/64/1017809564.db2.gz JYXIEMADZOPHGK-NSHDSACASA-N -1 0 316.317 -0.160 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)CC2(C(=O)[O-])CCC2)O1 ZINC001601142949 1017809638 /nfs/dbraw/zinc/80/96/38/1017809638.db2.gz VTCKCHWTFXZMKC-BDAKNGLRSA-N -1 0 320.367 -0.806 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)Nc2cncc(C(=O)[O-])c2)O1 ZINC001601142059 1017809649 /nfs/dbraw/zinc/80/96/49/1017809649.db2.gz GCPPJQKDGZUMJQ-ZJUUUORDSA-N -1 0 308.294 -0.066 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)/C=C/c2cc(C(=O)[O-])co2)C1 ZINC001601141604 1017809707 /nfs/dbraw/zinc/80/97/07/1017809707.db2.gz OIPCETMMNBSPTA-VWCDRPFISA-N -1 0 307.262 -0.263 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)CCCCCC(=O)[O-])O1 ZINC001601142029 1017809768 /nfs/dbraw/zinc/80/97/68/1017809768.db2.gz FTDAVBKUSAVNOA-VHSXEESVSA-N -1 0 322.383 -0.416 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)CCCn2ccc(C(=O)[O-])n2)O1 ZINC001601142617 1017809783 /nfs/dbraw/zinc/80/97/83/1017809783.db2.gz MUHZOIZMLWRGPQ-KOLCDFICSA-N -1 0 324.337 -0.489 20 0 DBADRM NC(=O)C1=NO[C@@H](CNS(=O)(=O)CCCCCC(=O)[O-])C1 ZINC001601141205 1017809905 /nfs/dbraw/zinc/80/99/05/1017809905.db2.gz IPVIJIRHGJFMBX-MRVPVSSYSA-N -1 0 321.355 -0.819 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])co2)O1 ZINC001601143143 1017809959 /nfs/dbraw/zinc/80/99/59/1017809959.db2.gz ZXQKIIAISUYXHG-SFYZADRCSA-N -1 0 318.307 -0.711 20 0 DBADRM NC(=O)[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)c1ccccn1 ZINC001601140486 1017810130 /nfs/dbraw/zinc/81/01/30/1017810130.db2.gz WJDSSDCMVANUSG-VIFPVBQESA-N -1 0 313.335 -0.608 20 0 DBADRM NC(=O)C1=NO[C@H](CNCc2ccccc2OCC(=O)[O-])C1 ZINC001601140842 1017810155 /nfs/dbraw/zinc/81/01/55/1017810155.db2.gz DSOHWOMALYDEQM-JTQLQIEISA-N -1 0 307.306 -0.130 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)CC2(C(=O)[O-])CCC2)O1 ZINC001601142951 1017810250 /nfs/dbraw/zinc/81/02/50/1017810250.db2.gz VTCKCHWTFXZMKC-IUCAKERBSA-N -1 0 320.367 -0.806 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C1CCOCC1 ZINC001601145587 1017810858 /nfs/dbraw/zinc/81/08/58/1017810858.db2.gz JACMBKYFZDZYTO-MXWKQRLJSA-N -1 0 314.338 -0.595 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)NCc2ccc(C(=O)[O-])s2)CCO1 ZINC001601145235 1017811176 /nfs/dbraw/zinc/81/11/76/1017811176.db2.gz AHAPRQKSEASPTA-MRVPVSSYSA-N -1 0 313.335 -0.158 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2ccccc2C(=O)[O-])C[C@@H]1C(N)=O ZINC001601145319 1017811194 /nfs/dbraw/zinc/81/11/94/1017811194.db2.gz FDDVFDQOHFLEFO-UWVGGRQHSA-N -1 0 305.290 -0.956 20 0 DBADRM NC(=O)[C@H]1CCCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001601144534 1017811245 /nfs/dbraw/zinc/81/12/45/1017811245.db2.gz RHZNNHLJUBGVSS-UTLUCORTSA-N -1 0 304.368 -0.233 20 0 DBADRM NC(=O)[C@H]1CCCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001601145785 1017811303 /nfs/dbraw/zinc/81/13/03/1017811303.db2.gz SNIRWPVXBRNSNL-SNVBAGLBSA-N -1 0 307.306 -0.587 20 0 DBADRM NC(=O)CC(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601145351 1017811332 /nfs/dbraw/zinc/81/13/32/1017811332.db2.gz FWMCDCJPQRVGDH-GHMZBOCLSA-N -1 0 323.349 -0.753 20 0 DBADRM NC(=O)CC(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CCCC1 ZINC001601145608 1017811399 /nfs/dbraw/zinc/81/13/99/1017811399.db2.gz JNJDWZWRTCXRSY-UHFFFAOYSA-N -1 0 321.337 -0.109 20 0 DBADRM NC(=O)C[C@@H]1CCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001601148028 1017812074 /nfs/dbraw/zinc/81/20/74/1017812074.db2.gz JDNIIRWKPJRNFV-LURJTMIESA-N -1 0 319.364 -0.273 20 0 DBADRM NC(=O)CC(=O)N1CCC(CNc2ccnc(C(=O)[O-])n2)CC1 ZINC001601146981 1017812089 /nfs/dbraw/zinc/81/20/89/1017812089.db2.gz WZDQLTZBAWJJPJ-UHFFFAOYSA-N -1 0 321.337 -0.877 20 0 DBADRM NC(=O)CC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CCCC1 ZINC001601146405 1017812319 /nfs/dbraw/zinc/81/23/19/1017812319.db2.gz SKOKIQUQUZMJMB-DTWKUNHWSA-N -1 0 311.338 -0.872 20 0 DBADRM NC(=O)CCCCC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001601148441 1017812354 /nfs/dbraw/zinc/81/23/54/1017812354.db2.gz GEKYLMOWDACWLL-UHFFFAOYSA-N -1 0 314.338 -0.102 20 0 DBADRM NC(=O)C[C@@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001601147488 1017812547 /nfs/dbraw/zinc/81/25/47/1017812547.db2.gz GOWHYPRMHBZHHQ-VIFPVBQESA-N -1 0 306.322 -0.084 20 0 DBADRM NC(=O)C[C@H]1CCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001601148029 1017812804 /nfs/dbraw/zinc/81/28/04/1017812804.db2.gz JDNIIRWKPJRNFV-ZCFIWIBFSA-N -1 0 319.364 -0.273 20 0 DBADRM NC(=O)COc1ccc(NC(=O)NCCOCC(=O)[O-])cc1 ZINC001601151334 1017813077 /nfs/dbraw/zinc/81/30/77/1017813077.db2.gz CILZFZUPYNSEFW-UHFFFAOYSA-N -1 0 311.294 -0.227 20 0 DBADRM NC(=O)CN1CCC(NC(=O)c2csc(C(=O)[O-])n2)CC1 ZINC001601150648 1017813511 /nfs/dbraw/zinc/81/35/11/1017813511.db2.gz CSFVVMUENWFXAU-UHFFFAOYSA-N -1 0 312.351 -0.479 20 0 DBADRM NC(=O)CN1CCCN(C(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC001601151248 1017813645 /nfs/dbraw/zinc/81/36/45/1017813645.db2.gz WCYNQFUDMNFAKA-UHFFFAOYSA-N -1 0 319.361 -0.053 20 0 DBADRM NC(=O)COc1ccc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)cc1 ZINC001601152251 1017813730 /nfs/dbraw/zinc/81/37/30/1017813730.db2.gz RASKPRNPDDMKLU-DEZZCRIOSA-N -1 0 308.290 -0.741 20 0 DBADRM NC(=O)NCCCCC(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001601156180 1017814220 /nfs/dbraw/zinc/81/42/20/1017814220.db2.gz OKSBDELRRLSDAG-NXEZZACHSA-N -1 0 301.343 -0.322 20 0 DBADRM NC(=O)Cn1cc(C(=O)N(CC(=O)[O-])C2CCCCC2)nn1 ZINC001601153094 1017814603 /nfs/dbraw/zinc/81/46/03/1017814603.db2.gz DABOLLCRZQNXGI-UHFFFAOYSA-N -1 0 309.326 -0.377 20 0 DBADRM NC(=O)N1CCC[C@H]1C(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001601155473 1017814639 /nfs/dbraw/zinc/81/46/39/1017814639.db2.gz VOVSPTNWPSRSFI-VIFPVBQESA-N -1 0 322.325 -0.754 20 0 DBADRM NC(=O)Cn1cc(C(=O)NCc2ccc(C(=O)[O-])cc2F)nn1 ZINC001601153123 1017814699 /nfs/dbraw/zinc/81/46/99/1017814699.db2.gz FNLACRFSAMVFLM-UHFFFAOYSA-N -1 0 321.268 -0.469 20 0 DBADRM NC(=O)Cn1cc(C(=O)NCC2(CC(=O)[O-])CCCCC2)nn1 ZINC001601153116 1017814746 /nfs/dbraw/zinc/81/47/46/1017814746.db2.gz FAPADCZQVFRCGN-UHFFFAOYSA-N -1 0 323.353 -0.082 20 0 DBADRM NC(=O)Cn1cc(C(=O)OCc2ccc(C(=O)[O-])cc2F)nn1 ZINC001601153787 1017814975 /nfs/dbraw/zinc/81/49/75/1017814975.db2.gz WOAGZISARYBSQA-UHFFFAOYSA-N -1 0 322.252 -0.042 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001601154339 1017815064 /nfs/dbraw/zinc/81/50/64/1017815064.db2.gz CHCJOXHZCFVXED-NEPJUHHUSA-N -1 0 320.349 -0.016 20 0 DBADRM NC(=O)N1CC[C@H](CNS(=O)(=O)CCCCCC(=O)[O-])C1 ZINC001601154728 1017815072 /nfs/dbraw/zinc/81/50/72/1017815072.db2.gz UKSFUMGDMXSPKR-SNVBAGLBSA-N -1 0 321.399 -0.049 20 0 DBADRM NC(=O)N[C@H](CC(=O)N1CC(O)(C(=O)[O-])C1)c1cccs1 ZINC001601155398 1017815112 /nfs/dbraw/zinc/81/51/12/1017815112.db2.gz IZPDJXIDKLPJAI-SSDOTTSWSA-N -1 0 313.335 -0.495 20 0 DBADRM NC(=O)N[C@H]1CCN(S(=O)(=O)c2cccnc2C(=O)[O-])C1 ZINC001601158286 1017815320 /nfs/dbraw/zinc/81/53/20/1017815320.db2.gz VIJZNHOLBCBNCS-ZETCQYMHSA-N -1 0 314.323 -0.789 20 0 DBADRM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC001601157559 1017815592 /nfs/dbraw/zinc/81/55/92/1017815592.db2.gz MKTKANNNSYFKNR-MRVPVSSYSA-N -1 0 314.323 -0.789 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001601158854 1017815692 /nfs/dbraw/zinc/81/56/92/1017815692.db2.gz WTLJJWOELUQESO-IAQYHMDHSA-N -1 0 321.333 -0.730 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NC2(C(=O)[O-])CCSCC2)O1 ZINC001601157096 1017815780 /nfs/dbraw/zinc/81/57/80/1017815780.db2.gz NBIQOKACAKOIPB-JGVFFNPUSA-N -1 0 302.352 -0.514 20 0 DBADRM NC(=O)Nc1cccc(C(=O)OCC(=O)NCCC(=O)[O-])c1 ZINC001601158420 1017815913 /nfs/dbraw/zinc/81/59/13/1017815913.db2.gz HFCWPCGKJYMDCS-UHFFFAOYSA-N -1 0 309.278 -0.075 20 0 DBADRM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC001601157827 1017816022 /nfs/dbraw/zinc/81/60/22/1017816022.db2.gz PGBIFRXCSBKOHD-SECBINFHSA-N -1 0 313.335 -0.184 20 0 DBADRM NC(=O)N[C@@H](CO)C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001601158855 1017816056 /nfs/dbraw/zinc/81/60/56/1017816056.db2.gz WTLJJWOELUQESO-NHYWBVRUSA-N -1 0 321.333 -0.730 20 0 DBADRM NC(=O)NC1(C(=O)N2Cc3cc(O)ccc3C[C@@H]2C(=O)[O-])CC1 ZINC001601158639 1017816093 /nfs/dbraw/zinc/81/60/93/1017816093.db2.gz TWASZARXLNTIIU-LLVKDONJSA-N -1 0 319.317 -0.069 20 0 DBADRM NC(=O)NC1(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)CC1 ZINC001601158209 1017816103 /nfs/dbraw/zinc/81/61/03/1017816103.db2.gz MMQWNVAMVAXXCC-UHFFFAOYSA-N -1 0 320.305 -0.360 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])cc1 ZINC001601162542 1017816412 /nfs/dbraw/zinc/81/64/12/1017816412.db2.gz ATBOFYZAXXRBDP-JTQLQIEISA-N -1 0 303.278 -0.740 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)[nH]1 ZINC001601163580 1017816444 /nfs/dbraw/zinc/81/64/44/1017816444.db2.gz UIRGUHACNWTPQV-UHFFFAOYSA-N -1 0 304.266 -0.900 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](O)CN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001601159179 1017816870 /nfs/dbraw/zinc/81/68/70/1017816870.db2.gz DOXRLHZVYFTWPE-KCJUWKMLSA-N -1 0 304.306 -0.318 20 0 DBADRM NC(=O)c1ccc(=O)n(CC(=O)Nc2cccc(C(=O)[O-])c2)n1 ZINC001601163200 1017816920 /nfs/dbraw/zinc/81/69/20/1017816920.db2.gz IUGCHUUOCWTFLF-UHFFFAOYSA-N -1 0 316.273 -0.321 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])cc1 ZINC001601162543 1017817009 /nfs/dbraw/zinc/81/70/09/1017817009.db2.gz ATBOFYZAXXRBDP-SNVBAGLBSA-N -1 0 303.278 -0.740 20 0 DBADRM NC(=O)c1ccc(CC(=O)N[C@]2(CC(=O)[O-])CCCOC2)cn1 ZINC001601163661 1017817013 /nfs/dbraw/zinc/81/70/13/1017817013.db2.gz CWZOLLBAQRQJIQ-HNNXBMFYSA-N -1 0 321.333 -0.137 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001601159273 1017817083 /nfs/dbraw/zinc/81/70/83/1017817083.db2.gz KCGOCUJLGXVOBL-BDAKNGLRSA-N -1 0 307.310 -0.739 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)C1 ZINC001601159762 1017817203 /nfs/dbraw/zinc/81/72/03/1017817203.db2.gz JQYIMOJVMJNWSX-IONNQARKSA-N -1 0 321.337 -0.129 20 0 DBADRM NC(=O)c1ccc(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)o1 ZINC001601164426 1017817976 /nfs/dbraw/zinc/81/79/76/1017817976.db2.gz FBMNIRQRYCFXCG-UHFFFAOYSA-N -1 0 324.289 -0.142 20 0 DBADRM NC(=O)c1ccc(C(=O)OCCn2cc(C(=O)[O-])nn2)s1 ZINC001601164040 1017818110 /nfs/dbraw/zinc/81/81/10/1017818110.db2.gz BGGXXDITVBSKDB-UHFFFAOYSA-N -1 0 310.291 -0.006 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])cc1 ZINC001601167265 1017818119 /nfs/dbraw/zinc/81/81/19/1017818119.db2.gz MGMLGLWYUAZYRB-WPRPVWTQSA-N -1 0 316.310 -0.029 20 0 DBADRM NC(=O)c1ccc(N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)nn1 ZINC001601166861 1017818314 /nfs/dbraw/zinc/81/83/14/1017818314.db2.gz XQEAWCQQEXGUFS-MRVPVSSYSA-N -1 0 317.309 -0.293 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1 ZINC001601164742 1017818337 /nfs/dbraw/zinc/81/83/37/1017818337.db2.gz SSCSBUBQEXWYTG-RYUDHWBXSA-N -1 0 306.318 -0.378 20 0 DBADRM NC(=O)c1ccc(N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)nc1 ZINC001601166149 1017818353 /nfs/dbraw/zinc/81/83/53/1017818353.db2.gz FIUIIBGFSHRVBM-SECBINFHSA-N -1 0 302.294 -0.078 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)c1 ZINC001601164337 1017818375 /nfs/dbraw/zinc/81/83/75/1017818375.db2.gz YTHVUYAYZHJINF-JTQLQIEISA-N -1 0 323.305 -0.264 20 0 DBADRM NC(=O)c1cnn(CCOC(=O)CCc2ocnc2C(=O)[O-])c1 ZINC001601169668 1017818740 /nfs/dbraw/zinc/81/87/40/1017818740.db2.gz DRNZCDSGLVKTIT-UHFFFAOYSA-N -1 0 322.277 -0.156 20 0 DBADRM NC(=O)c1cccc2c1CCN(CC(=O)NCCC(=O)[O-])C2 ZINC001601169277 1017818888 /nfs/dbraw/zinc/81/88/88/1017818888.db2.gz WQCQTBLRSUNRJD-UHFFFAOYSA-N -1 0 305.334 -0.266 20 0 DBADRM NC(=O)c1csc(C(=O)OCC(=O)NCCC(=O)[O-])c1 ZINC001601170362 1017818945 /nfs/dbraw/zinc/81/89/45/1017818945.db2.gz FZSNZTDGKAGFIB-UHFFFAOYSA-N -1 0 300.292 -0.405 20 0 DBADRM NC(=O)c1cn(CCOC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)nn1 ZINC001601170108 1017818990 /nfs/dbraw/zinc/81/89/90/1017818990.db2.gz PYZOJYNLNGPKJE-BDAKNGLRSA-N -1 0 310.310 -0.189 20 0 DBADRM NC(=O)c1ncccc1C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001601172180 1017819227 /nfs/dbraw/zinc/81/92/27/1017819227.db2.gz NEMSZENKUWMEAU-AWEZNQCLSA-N -1 0 318.289 -0.374 20 0 DBADRM NC(=O)c1cnc(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])s1 ZINC001601169648 1017819245 /nfs/dbraw/zinc/81/92/45/1017819245.db2.gz CXLSXNIKVDCVHI-IYSWYEEDSA-N -1 0 314.323 -0.147 20 0 DBADRM NC(=O)c1ncn(CC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC001601173099 1017819390 /nfs/dbraw/zinc/81/93/90/1017819390.db2.gz HQNNWXSRRFTLTM-SNVBAGLBSA-N -1 0 317.305 -0.638 20 0 DBADRM NC(=O)c1csc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC001601170640 1017819488 /nfs/dbraw/zinc/81/94/88/1017819488.db2.gz IWZBODOLEWCLEY-MRVPVSSYSA-N -1 0 308.319 -0.004 20 0 DBADRM NC(=O)c1ncn(CC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)n1 ZINC001601174202 1017820359 /nfs/dbraw/zinc/82/03/59/1017820359.db2.gz ULTPRLATPVKDJQ-MRVPVSSYSA-N -1 0 307.310 -0.910 20 0 DBADRM NC(=O)c1ncn(CC(=O)Oc2ccc(CC(=O)[O-])cc2)n1 ZINC001601173894 1017820790 /nfs/dbraw/zinc/82/07/90/1017820790.db2.gz PWSSWFMZXOZXFJ-UHFFFAOYSA-N -1 0 304.262 -0.390 20 0 DBADRM NS(=O)(=O)C1(C(=O)NCc2ccc(C(=O)[O-])cc2F)CC1 ZINC001601192019 1017822585 /nfs/dbraw/zinc/82/25/85/1017822585.db2.gz GOGWNMDNQRKJNW-UHFFFAOYSA-N -1 0 316.310 -0.039 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001601192359 1017823086 /nfs/dbraw/zinc/82/30/86/1017823086.db2.gz LTVBPTUMRRBICY-RTBKNWGFSA-N -1 0 319.383 -0.298 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001601192926 1017823268 /nfs/dbraw/zinc/82/32/68/1017823268.db2.gz YESVOKHUSVAVNU-SECBINFHSA-N -1 0 313.335 -0.327 20 0 DBADRM NS(=O)(=O)CCNC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001601194252 1017823405 /nfs/dbraw/zinc/82/34/05/1017823405.db2.gz ZAQMDLIFCXGCBS-UHFFFAOYSA-N -1 0 307.353 -0.466 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601194060 1017823459 /nfs/dbraw/zinc/82/34/59/1017823459.db2.gz LPEAQLOFQUICKB-YIZRAAEISA-N -1 0 305.356 -0.688 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC001601194598 1017823499 /nfs/dbraw/zinc/82/34/99/1017823499.db2.gz TWJKWZZKJRWAIR-UHFFFAOYSA-N -1 0 307.372 -0.439 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001601194605 1017823577 /nfs/dbraw/zinc/82/35/77/1017823577.db2.gz UFHQUSLMWBVIPV-QMMMGPOBSA-N -1 0 315.351 -0.146 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601193182 1017823854 /nfs/dbraw/zinc/82/38/54/1017823854.db2.gz OWQCTFMKFLURJY-MWLCHTKSSA-N -1 0 322.383 -0.559 20 0 DBADRM NS(=O)(=O)CCCC(=O)NCc1ccccc1CC(=O)[O-] ZINC001601192947 1017823922 /nfs/dbraw/zinc/82/39/22/1017823922.db2.gz GRCGCMRQJBMNEJ-UHFFFAOYSA-N -1 0 314.363 -0.001 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001601194082 1017823939 /nfs/dbraw/zinc/82/39/39/1017823939.db2.gz MGQQURNCHJMFJQ-QMMMGPOBSA-N -1 0 300.340 -0.320 20 0 DBADRM NS(=O)(=O)CCCC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001601193296 1017823953 /nfs/dbraw/zinc/82/39/53/1017823953.db2.gz UCHCDARICVNLNY-FSPLSTOPSA-N -1 0 300.283 -0.863 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])s1 ZINC001601196709 1017824277 /nfs/dbraw/zinc/82/42/77/1017824277.db2.gz IIOXQKBVAXECPN-RITPCOANSA-N -1 0 320.348 -0.945 20 0 DBADRM NS(=O)(=O)NC[C@@H]1CCCN(c2cncc(C(=O)[O-])n2)C1 ZINC001601195625 1017824440 /nfs/dbraw/zinc/82/44/40/1017824440.db2.gz WQONHGCHEVARMP-QMMMGPOBSA-N -1 0 315.355 -0.816 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCCOCC(=O)[O-])s1 ZINC001601197272 1017824634 /nfs/dbraw/zinc/82/46/34/1017824634.db2.gz USSNZJWIBHAENX-UHFFFAOYSA-N -1 0 308.337 -0.774 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NOCCCC(=O)[O-])ccn1 ZINC001601196486 1017824875 /nfs/dbraw/zinc/82/48/75/1017824875.db2.gz LQFNCMDUVUYOER-UHFFFAOYSA-N -1 0 303.296 -0.745 20 0 DBADRM NS(=O)(=O)c1cc(CN2CCC([C@@H](O)C(=O)[O-])CC2)co1 ZINC001601196390 1017825326 /nfs/dbraw/zinc/82/53/26/1017825326.db2.gz GSCITHMQEIDKCG-LLVKDONJSA-N -1 0 318.351 -0.416 20 0 DBADRM NS(=O)(=O)NC[C@H]1CCCN(c2cnc(C(=O)[O-])cn2)C1 ZINC001601195325 1017825331 /nfs/dbraw/zinc/82/53/31/1017825331.db2.gz PISMUJFYDWOFRK-MRVPVSSYSA-N -1 0 315.355 -0.816 20 0 DBADRM NS(=O)(=O)c1cnn(CCC(=O)NC2(C(=O)[O-])CCC2)c1 ZINC001601201375 1017825653 /nfs/dbraw/zinc/82/56/53/1017825653.db2.gz DPAUKCKNLGZTTP-UHFFFAOYSA-N -1 0 316.339 -0.956 20 0 DBADRM NS(=O)(=O)c1ccc(OCC(=O)NC2(C(=O)[O-])CC2)cc1 ZINC001601200102 1017825764 /nfs/dbraw/zinc/82/57/64/1017825764.db2.gz UDGZMCXKSAQDLZ-UHFFFAOYSA-N -1 0 314.319 -0.554 20 0 DBADRM NS(=O)(=O)c1sccc1C(=O)NCCOCC(=O)[O-] ZINC001601201042 1017826214 /nfs/dbraw/zinc/82/62/14/1017826214.db2.gz SAPLTUOSSTVMKG-UHFFFAOYSA-N -1 0 308.337 -0.774 20 0 DBADRM Nc1nc(NCCC(=O)NCCC(=O)[O-])nc(C(F)(F)F)n1 ZINC001601219524 1017826725 /nfs/dbraw/zinc/82/67/25/1017826725.db2.gz BPWOEXMWHDBWIU-UHFFFAOYSA-N -1 0 322.247 -0.135 20 0 DBADRM Nc1ccccc1S(=O)(=O)NCC(=O)OCCCC(=O)[O-] ZINC001601218809 1017826814 /nfs/dbraw/zinc/82/68/14/1017826814.db2.gz PFWYCEPGINLBSB-UHFFFAOYSA-N -1 0 316.335 -0.045 20 0 DBADRM Nc1c(C(=O)N[C@]2(C(=O)[O-])CCOC2)cnn1-c1ccccn1 ZINC001601207451 1017826869 /nfs/dbraw/zinc/82/68/69/1017826869.db2.gz FTUGWWDFNMGUSB-CQSZACIVSA-N -1 0 317.305 -0.177 20 0 DBADRM Nc1ccccc1S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001601217281 1017827007 /nfs/dbraw/zinc/82/70/07/1017827007.db2.gz HOBIHTXPUPTRPM-UHFFFAOYSA-N -1 0 300.336 -0.131 20 0 DBADRM Nc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c(F)c1 ZINC001601216430 1017827317 /nfs/dbraw/zinc/82/73/17/1017827317.db2.gz AQDSRDDUJBPOEU-VIFPVBQESA-N -1 0 304.299 -0.118 20 0 DBADRM Nc1c(NC(=O)c2cnn(C[C@H](O)CO)c2)cccc1C(=O)[O-] ZINC001601209473 1017827457 /nfs/dbraw/zinc/82/74/57/1017827457.db2.gz PQNQRHCUSIUJRY-VIFPVBQESA-N -1 0 320.305 -0.231 20 0 DBADRM Nc1nnc(C2CCN([C@H]3CCN(CCC(=O)[O-])C3=O)CC2)o1 ZINC001601223384 1017827844 /nfs/dbraw/zinc/82/78/44/1017827844.db2.gz YVAAVULQNQZYFE-JTQLQIEISA-N -1 0 323.353 -0.093 20 0 DBADRM Nc1nnn(CC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)n1 ZINC001601223909 1017828071 /nfs/dbraw/zinc/82/80/71/1017828071.db2.gz IPOMNAVKVXECSA-JTQLQIEISA-N -1 0 304.310 -0.022 20 0 DBADRM Nc1nc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])nc2ccccc12 ZINC001601220842 1017828134 /nfs/dbraw/zinc/82/81/34/1017828134.db2.gz WHRIDYFQHOHHBG-NSHDSACASA-N -1 0 315.333 -0.013 20 0 DBADRM Nc1ncn(CC(=O)N(CCC(=O)[O-])Cc2ccncc2)n1 ZINC001601222049 1017828538 /nfs/dbraw/zinc/82/85/38/1017828538.db2.gz JDSRKZNDEOJCAV-UHFFFAOYSA-N -1 0 304.310 -0.241 20 0 DBADRM Nc1nnn(CC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)n1 ZINC001601225221 1017829109 /nfs/dbraw/zinc/82/91/09/1017829109.db2.gz XMFVSDBHGAYLML-MRVPVSSYSA-N -1 0 308.220 -0.879 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C1 ZINC001601227571 1017829191 /nfs/dbraw/zinc/82/91/91/1017829191.db2.gz JSTMACKSAVHMFK-HQJQHLMTSA-N -1 0 324.255 -0.412 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001601228436 1017829317 /nfs/dbraw/zinc/82/93/17/1017829317.db2.gz PECLMDMBSAVEBW-GZMMTYOYSA-N -1 0 310.272 -0.081 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001601225888 1017829784 /nfs/dbraw/zinc/82/97/84/1017829784.db2.gz PXZJVDNOUGWNGF-SSDOTTSWSA-N -1 0 324.255 -0.555 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)C1 ZINC001601226824 1017829834 /nfs/dbraw/zinc/82/98/34/1017829834.db2.gz DLFFOAHBDBJSMQ-JQAFLVLXSA-N -1 0 316.313 -0.056 20 0 DBADRM O=C(C[C@H]1CCCOC1)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001601253511 1017830139 /nfs/dbraw/zinc/83/01/39/1017830139.db2.gz AYLAGISVERKCFN-SNVBAGLBSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 ZINC001601246786 1017830206 /nfs/dbraw/zinc/83/02/06/1017830206.db2.gz CXKAWQJWPCZWSR-OQEOFVATSA-N -1 0 322.361 -0.415 20 0 DBADRM O=C(C[C@H]1CCCS(=O)(=O)C1)NC1(C(=O)[O-])CCOCC1 ZINC001601255373 1017830302 /nfs/dbraw/zinc/83/03/02/1017830302.db2.gz KCVQLVGKOOSSAF-SNVBAGLBSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CCO)(NC(=O)CC2CC2)C1 ZINC001601247878 1017830813 /nfs/dbraw/zinc/83/08/13/1017830813.db2.gz IFVTXUMBUXVFKL-GHMZBOCLSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])c1coc(CNC(=O)C[C@H]2CCS(=O)(=O)C2)n1 ZINC001601255645 1017831007 /nfs/dbraw/zinc/83/10/07/1017831007.db2.gz AKQGDGCQIQBNGN-SSDOTTSWSA-N -1 0 302.308 -0.186 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)CCCS(=O)(=O)N1CCCC1 ZINC001601270015 1017831310 /nfs/dbraw/zinc/83/13/10/1017831310.db2.gz YIQKFDFMVJNXKT-VIFPVBQESA-N -1 0 310.347 -0.269 20 0 DBADRM O=C([O-])c1c(OCCO)n[nH]c1NC(=O)CC1OCCCO1 ZINC001601260694 1017831370 /nfs/dbraw/zinc/83/13/70/1017831370.db2.gz ZTECDKJRGWYZJU-UHFFFAOYSA-N -1 0 315.282 -0.429 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001601257355 1017831438 /nfs/dbraw/zinc/83/14/38/1017831438.db2.gz MBVRSJLPZJNCSH-KBPBESRZSA-N -1 0 322.361 -0.161 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CC[C@H]2NC(=O)NC2=O)nc1 ZINC001601265102 1017831475 /nfs/dbraw/zinc/83/14/75/1017831475.db2.gz ROEGXPFMQLGUCL-SECBINFHSA-N -1 0 306.278 -0.616 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H](NC(=O)CCCF)[C@@H](O)C2)nc1 ZINC001601267759 1017831907 /nfs/dbraw/zinc/83/19/07/1017831907.db2.gz YTPQXRKKDCQBEJ-ZJUUUORDSA-N -1 0 312.301 -0.410 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CC[C@@H]2NC(=O)NC2=O)nc1 ZINC001601265104 1017831962 /nfs/dbraw/zinc/83/19/62/1017831962.db2.gz ROEGXPFMQLGUCL-VIFPVBQESA-N -1 0 306.278 -0.616 20 0 DBADRM O=C(CCCNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])NC1CC1 ZINC001601268514 1017832089 /nfs/dbraw/zinc/83/20/89/1017832089.db2.gz LJJJATGTBVDXGP-BXKDBHETSA-N -1 0 313.354 -0.166 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CCSc2ncnc3[nH]cnc32)C1 ZINC001601283938 1017832387 /nfs/dbraw/zinc/83/23/87/1017832387.db2.gz PZIYZKSZDJKYQO-UHFFFAOYSA-N -1 0 323.334 -0.507 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCC(=O)NCC(F)F ZINC001601284425 1017832878 /nfs/dbraw/zinc/83/28/78/1017832878.db2.gz RYWBPSNEXRDHGA-JGVFFNPUSA-N -1 0 308.281 -0.246 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NC[C@H]1CN2CCN1CC2 ZINC001601284301 1017833018 /nfs/dbraw/zinc/83/30/18/1017833018.db2.gz LNESHTLWKZTFSP-RWMBFGLXSA-N -1 0 311.382 -0.628 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC001601276613 1017833050 /nfs/dbraw/zinc/83/30/50/1017833050.db2.gz ZYONHDVDABPWLP-QMMMGPOBSA-N -1 0 315.301 -0.220 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)CCN3CCOC3=O)C[C@H]1COCC2 ZINC001601277224 1017833291 /nfs/dbraw/zinc/83/32/91/1017833291.db2.gz YGQZDJPDFHOUQI-IINYFYTJSA-N -1 0 312.322 -0.222 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCN1C(=O)CCc2ccccc21 ZINC001601275291 1017833297 /nfs/dbraw/zinc/83/32/97/1017833297.db2.gz AYFYGDMNNCRBSG-LLVKDONJSA-N -1 0 306.318 -0.082 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CCn1cnnn1)Cc1ccncc1 ZINC001601300039 1017833613 /nfs/dbraw/zinc/83/36/13/1017833613.db2.gz CVQPHOSJTQCUBP-NSHDSACASA-N -1 0 304.310 -0.482 20 0 DBADRM O=C([O-])C1(CNC(=O)CCn2cnccc2=O)CCOCC1 ZINC001601299984 1017833625 /nfs/dbraw/zinc/83/36/25/1017833625.db2.gz AEVIQJKNUQDUDP-UHFFFAOYSA-N -1 0 309.322 -0.369 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC001601301448 1017833738 /nfs/dbraw/zinc/83/37/38/1017833738.db2.gz BKWGKAIXLUUAKG-MRVPVSSYSA-N -1 0 315.301 -0.220 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CCn1cnnn1)Cc1ccncc1 ZINC001601300038 1017834194 /nfs/dbraw/zinc/83/41/94/1017834194.db2.gz CVQPHOSJTQCUBP-LLVKDONJSA-N -1 0 304.310 -0.482 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)CN1C(=O)CNC1=O ZINC001601302296 1017834718 /nfs/dbraw/zinc/83/47/18/1017834718.db2.gz IPMPJSAZURXCJJ-SSDOTTSWSA-N -1 0 321.293 -0.916 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001601296685 1017834461 /nfs/dbraw/zinc/83/44/61/1017834461.db2.gz LKTXORHQLXAPBJ-QCLAVDOMSA-N -1 0 321.337 -0.779 20 0 DBADRM O=C(CN1C(=O)CNC1=O)NC[C@@H](Oc1ccccc1)C(=O)[O-] ZINC001601302490 1017834737 /nfs/dbraw/zinc/83/47/37/1017834737.db2.gz NNKQLZMSDXDSHH-SNVBAGLBSA-N -1 0 321.289 -0.813 20 0 DBADRM O=C([O-])[C@]1(O)CCN(CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC001601304545 1017834806 /nfs/dbraw/zinc/83/48/06/1017834806.db2.gz UKWXMOOBYXYZGY-AWEZNQCLSA-N -1 0 308.290 -0.125 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)N[C@H]1CCCCNC1=O ZINC001601308795 1017835893 /nfs/dbraw/zinc/83/58/93/1017835893.db2.gz QVTKWGJUGDDLJO-ZJUUUORDSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN1CC(=O)NCC(=O)c1ccccc1 ZINC001601306901 1017835997 /nfs/dbraw/zinc/83/59/97/1017835997.db2.gz UKNNPEKGCQHIJO-RYUDHWBXSA-N -1 0 306.318 -0.495 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@H]2CCn3cncc3C2)C1=O ZINC001601308296 1017836440 /nfs/dbraw/zinc/83/64/40/1017836440.db2.gz LBIFFETWABZGHO-CMPLNLGQSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@@H]2CCn3ccnc3C2)C1=O ZINC001601307434 1017836501 /nfs/dbraw/zinc/83/65/01/1017836501.db2.gz AMZOQJHWKZOAQD-GHMZBOCLSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2nncn2C2CC2)C1=O ZINC001601309862 1017836621 /nfs/dbraw/zinc/83/66/21/1017836621.db2.gz IMFQXVPXPJESCW-SECBINFHSA-N -1 0 307.310 -0.125 20 0 DBADRM O=C([O-])c1nc[nH]c1NC(=O)CN1CCCCS1(=O)=O ZINC001601315350 1017837126 /nfs/dbraw/zinc/83/71/26/1017837126.db2.gz HMUUZDORDRSWQR-UHFFFAOYSA-N -1 0 302.312 -0.528 20 0 DBADRM O=C(CN1CCCS1(=O)=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001601312800 1017837571 /nfs/dbraw/zinc/83/75/71/1017837571.db2.gz AKHQJCACXDXDHQ-YTWAJWBKSA-N -1 0 316.379 -0.363 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)NCc1nnc2n1CCC2 ZINC001601310960 1017837666 /nfs/dbraw/zinc/83/76/66/1017837666.db2.gz SEGBPVYWVGDIFO-SECBINFHSA-N -1 0 321.337 -0.836 20 0 DBADRM O=C(CN1CCOCC1)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001601317033 1017837942 /nfs/dbraw/zinc/83/79/42/1017837942.db2.gz QLUAYBNEHOYEDE-JTQLQIEISA-N -1 0 302.327 -0.959 20 0 DBADRM O=C(CN1CCOCC1)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC001601317124 1017838163 /nfs/dbraw/zinc/83/81/63/1017838163.db2.gz WPRLCWVOJFSJBD-GFCCVEGCSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC001601317440 1017838286 /nfs/dbraw/zinc/83/82/86/1017838286.db2.gz DSJIGKXWQVEZJI-GHMZBOCLSA-N -1 0 322.317 -0.084 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)CN1CCOCC1=O ZINC001601316485 1017838312 /nfs/dbraw/zinc/83/83/12/1017838312.db2.gz DSYQOMARDGRELG-SECBINFHSA-N -1 0 322.321 -0.609 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCOCC1=O)c1ccccc1F ZINC001601316997 1017838369 /nfs/dbraw/zinc/83/83/69/1017838369.db2.gz OSGWQOJYZXENFE-ZDUSSCGKSA-N -1 0 310.281 -0.074 20 0 DBADRM O=C(CN1CCOCC1=O)NC1(C(=O)[O-])CCSCC1 ZINC001601317187 1017838564 /nfs/dbraw/zinc/83/85/64/1017838564.db2.gz ZLPHGBKRKDXFSD-UHFFFAOYSA-N -1 0 302.352 -0.688 20 0 DBADRM O=C(CN1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)Nc1nncs1 ZINC001601317390 1017838638 /nfs/dbraw/zinc/83/86/38/1017838638.db2.gz KEXZLPKIMYNMQQ-QPUJVOFHSA-N -1 0 312.351 -0.100 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CN1CCNCC1=O)c1ccc(F)cc1 ZINC001601316708 1017838860 /nfs/dbraw/zinc/83/88/60/1017838860.db2.gz RKAQEXGRWUTHIQ-GFCCVEGCSA-N -1 0 323.324 -0.458 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)CN2CCc3ccccc3C2=O)C1 ZINC001601319871 1017839183 /nfs/dbraw/zinc/83/91/83/1017839183.db2.gz FXLYVBXMWHYLRN-INIZCTEOSA-N -1 0 318.329 -0.267 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)CNC(=O)CC2CCCC2)nn1 ZINC001601321609 1017839263 /nfs/dbraw/zinc/83/92/63/1017839263.db2.gz JYWGYIGOICVVHF-UHFFFAOYSA-N -1 0 323.353 -0.211 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(NCC(=O)Nc2ccon2)CC1 ZINC001601326086 1017839273 /nfs/dbraw/zinc/83/92/73/1017839273.db2.gz KWJFIHMSMZMFDJ-BDAKNGLRSA-N -1 0 322.321 -0.428 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)CN2CCc3ccccc3C2=O)C1 ZINC001601319872 1017839388 /nfs/dbraw/zinc/83/93/88/1017839388.db2.gz FXLYVBXMWHYLRN-MRXNPFEDSA-N -1 0 318.329 -0.267 20 0 DBADRM O=C([O-])[C@]1(NCC(=O)NC(=O)NCc2ccccc2)CCOC1 ZINC001601324983 1017839692 /nfs/dbraw/zinc/83/96/92/1017839692.db2.gz FKXHFDCVDXJAQX-HNNXBMFYSA-N -1 0 321.333 -0.154 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccccn1 ZINC001601318973 1017839865 /nfs/dbraw/zinc/83/98/65/1017839865.db2.gz IHOIWUDKXOFBHZ-SECBINFHSA-N -1 0 313.335 -0.796 20 0 DBADRM O=C(COC[C@@H]1CCCO1)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001601337537 1017840318 /nfs/dbraw/zinc/84/03/18/1017840318.db2.gz AWBLNYWGEZAYSI-QWRGUYRKSA-N -1 0 317.338 -0.096 20 0 DBADRM O=C([O-])C1(NC(=O)COC(=O)[C@@]2(O)CCOC2)CCCCC1 ZINC001601330729 1017840355 /nfs/dbraw/zinc/84/03/55/1017840355.db2.gz BDMVCZAJYCUCIK-CQSZACIVSA-N -1 0 315.322 -0.415 20 0 DBADRM O=C([O-])c1sccc1NC(=O)COC(=O)C1(CO)COC1 ZINC001601331780 1017840984 /nfs/dbraw/zinc/84/09/84/1017840984.db2.gz PIAUXALUUUDSCN-UHFFFAOYSA-N -1 0 315.303 -0.063 20 0 DBADRM O=C([O-])c1cn(CC(=O)OCC(=O)NCc2ccccc2)nn1 ZINC001601332607 1017841156 /nfs/dbraw/zinc/84/11/56/1017841156.db2.gz JLWVBFLTGAXGTH-UHFFFAOYSA-N -1 0 318.289 -0.164 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N[C@@H](CO)CN2CCOCC2)cc1 ZINC001601355409 1017841522 /nfs/dbraw/zinc/84/15/22/1017841522.db2.gz LOHRUQZRDYNRQO-CQSZACIVSA-N -1 0 322.361 -0.263 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCCNC(=O)Cc1ccc(=O)[nH]c1 ZINC001601356249 1017841614 /nfs/dbraw/zinc/84/16/14/1017841614.db2.gz VMWXRCNABMIIHB-QWRGUYRKSA-N -1 0 321.333 -0.327 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)CSc1cccc[n+]1[O-] ZINC001601350150 1017841689 /nfs/dbraw/zinc/84/16/89/1017841689.db2.gz YSDXKAPITAMXPM-SNVBAGLBSA-N -1 0 322.346 -0.053 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NC[C@H]1CN2CCN1CC2 ZINC001601341381 1017841746 /nfs/dbraw/zinc/84/17/46/1017841746.db2.gz YEFQYOYHEJFKTG-JTQLQIEISA-N -1 0 324.337 -0.995 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)Cc3ccon3)CC2)n1 ZINC001601371189 1017842542 /nfs/dbraw/zinc/84/25/42/1017842542.db2.gz CFWYBMHAADNGRE-UHFFFAOYSA-N -1 0 317.305 -0.112 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)Cc1ccn(CC(F)(F)F)n1 ZINC001601370977 1017842691 /nfs/dbraw/zinc/84/26/91/1017842691.db2.gz NLBPTOKOPBPMEB-QMMMGPOBSA-N -1 0 309.244 -0.060 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)Cc2cnn(-c3ccccc3)n2)C1 ZINC001601372163 1017842736 /nfs/dbraw/zinc/84/27/36/1017842736.db2.gz PSCZDPLKWJDGEX-OAHLLOKOSA-N -1 0 316.317 -0.142 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)Cc2ccc[nH]2)n1 ZINC001601363074 1017842794 /nfs/dbraw/zinc/84/27/94/1017842794.db2.gz OKAAOKDFRGRLGV-SNVBAGLBSA-N -1 0 319.321 -0.944 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)Cc1ccc2c(c1)OCO2 ZINC001601363654 1017842950 /nfs/dbraw/zinc/84/29/50/1017842950.db2.gz RYNFLKZRJUBRLY-SNVBAGLBSA-N -1 0 318.289 -0.181 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N(CCNC(=O)Cc1c[nH]cn1)C1CC1 ZINC001601372327 1017842970 /nfs/dbraw/zinc/84/29/70/1017842970.db2.gz MWTREVWHUFIVPQ-RYUDHWBXSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)Cc1c[nH]cn1 ZINC001601372072 1017843093 /nfs/dbraw/zinc/84/30/93/1017843093.db2.gz IVIKRXAHNBCWNX-COUIAZAYSA-N -1 0 306.322 -0.539 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)Cc1cncnc1 ZINC001601372215 1017843205 /nfs/dbraw/zinc/84/32/05/1017843205.db2.gz RYKPIGMSBAVBEM-JZIZGNRHSA-N -1 0 318.333 -0.472 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)Cc1ccc[nH]1 ZINC001601363075 1017843334 /nfs/dbraw/zinc/84/33/34/1017843334.db2.gz ONCHWVZNUVMZRL-NEPJUHHUSA-N -1 0 323.349 -0.785 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)Cc1cncnc1 ZINC001601372216 1017843399 /nfs/dbraw/zinc/84/33/99/1017843399.db2.gz RYKPIGMSBAVBEM-NUYITTKVSA-N -1 0 318.333 -0.472 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)Cc3ncc[nH]3)CC2)n1 ZINC001601375749 1017843836 /nfs/dbraw/zinc/84/38/36/1017843836.db2.gz CZPATZXEHASUGR-UHFFFAOYSA-N -1 0 316.321 -0.377 20 0 DBADRM O=C([O-])[C@]1(NC(=O)Cc2nc3ncccn3n2)CCSC1 ZINC001601376668 1017843855 /nfs/dbraw/zinc/84/38/55/1017843855.db2.gz XWERXQOWTVYNQA-LBPRGKRZSA-N -1 0 307.335 -0.257 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)Cc1nnc(C2CC2)[nH]1 ZINC001601375179 1017843886 /nfs/dbraw/zinc/84/38/86/1017843886.db2.gz FXDCNTRUPYJASE-QMMMGPOBSA-N -1 0 305.298 -0.914 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC001601373825 1017843894 /nfs/dbraw/zinc/84/38/94/1017843894.db2.gz RVFKZJKSMQSCEV-ZETCQYMHSA-N -1 0 311.323 -0.578 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NCCc2nnc3n2CCCC3)c1 ZINC001601380076 1017844138 /nfs/dbraw/zinc/84/41/38/1017844138.db2.gz QVGOCQHCNLUVJX-UHFFFAOYSA-N -1 0 318.337 -0.132 20 0 DBADRM O=C(Cn1c(=O)[nH]c2ccccc21)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001601377186 1017844194 /nfs/dbraw/zinc/84/41/94/1017844194.db2.gz PCKJXHQRMUOIFN-XZWHAEGMSA-N -1 0 305.290 -0.164 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)Cc2ncc[nH]2)CCC1 ZINC001601376548 1017844477 /nfs/dbraw/zinc/84/44/77/1017844477.db2.gz WAKDKBDVBIHRDP-ZJUUUORDSA-N -1 0 320.349 -0.172 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2cnoc2)C1 ZINC001601374507 1017844519 /nfs/dbraw/zinc/84/45/19/1017844519.db2.gz YIBPBUOISXGCRH-IELRGYKMSA-N -1 0 321.333 -0.051 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC2CC(NCC(F)(F)F)C2)nn1 ZINC001601382265 1017844834 /nfs/dbraw/zinc/84/48/34/1017844834.db2.gz URINHIPZCKVWJP-UHFFFAOYSA-N -1 0 321.259 -0.225 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@H]2CCCCS2(=O)=O)nn1 ZINC001601382913 1017845269 /nfs/dbraw/zinc/84/52/69/1017845269.db2.gz UAYJQIWJAFWVBM-MRVPVSSYSA-N -1 0 316.339 -0.940 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NC[C@H]2CCCS(=O)(=O)C2)n1 ZINC001601384000 1017845327 /nfs/dbraw/zinc/84/53/27/1017845327.db2.gz AARMKBOXYOVTAZ-SECBINFHSA-N -1 0 315.351 -0.478 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCCCOc2ncccn2)n1 ZINC001601385860 1017845415 /nfs/dbraw/zinc/84/54/15/1017845415.db2.gz ZGBJYIQWEZBOKY-UHFFFAOYSA-N -1 0 305.294 -0.043 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)Cn2ccc(=O)[nH]c2=O)nc1 ZINC001601384810 1017845500 /nfs/dbraw/zinc/84/55/00/1017845500.db2.gz UPLAJRHAUSARJO-UHFFFAOYSA-N -1 0 304.262 -0.642 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NC[C@H](CO)Cc2cccnc2)c1 ZINC001601381290 1017845616 /nfs/dbraw/zinc/84/56/16/1017845616.db2.gz OJHMDOGLNPTQFG-GFCCVEGCSA-N -1 0 318.333 -0.056 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)Cn2cccn2)C1 ZINC001601389300 1017846078 /nfs/dbraw/zinc/84/60/78/1017846078.db2.gz JKJWLOVYRHWNCG-LMLFDSFASA-N -1 0 306.322 -0.633 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCCCN2CCOCC2)c1=O ZINC001601388711 1017846100 /nfs/dbraw/zinc/84/61/00/1017846100.db2.gz QSYOPEBVYOJJOH-UHFFFAOYSA-N -1 0 323.349 -0.615 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2C[C@@H](NC(=O)Cn3cccn3)C2)n1 ZINC001601389138 1017846149 /nfs/dbraw/zinc/84/61/49/1017846149.db2.gz COOSTDSGQQNQIX-MGCOHNPYSA-N -1 0 316.321 -0.448 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)Cn2ccnc2)C1 ZINC001601389662 1017846221 /nfs/dbraw/zinc/84/62/21/1017846221.db2.gz XFPKAHBESBLKLW-YTWAJWBKSA-N -1 0 306.322 -0.633 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)Cn1cccn1 ZINC001601389169 1017846234 /nfs/dbraw/zinc/84/62/34/1017846234.db2.gz FPDFRUBLEBUWRV-OVVPUXAQSA-N -1 0 306.322 -0.608 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NC[C@H](CO)[C@@H]2CCOC2)c1=O ZINC001601388755 1017846328 /nfs/dbraw/zinc/84/63/28/1017846328.db2.gz RZCCCVUTPBJAKL-GHMZBOCLSA-N -1 0 324.333 -0.692 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N=S2(=O)CCOCC2)c1=O ZINC001601387232 1017846463 /nfs/dbraw/zinc/84/64/63/1017846463.db2.gz WZDHGEMMXPEUMQ-UHFFFAOYSA-N -1 0 314.319 -0.429 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCCCC(=O)NC2CC2)c1=O ZINC001601388584 1017846556 /nfs/dbraw/zinc/84/65/56/1017846556.db2.gz OBVXBPAEOARCOZ-UHFFFAOYSA-N -1 0 321.333 -0.279 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N[C@H]2CC[C@@H](O)[C@@H](O)CC2)c1=O ZINC001601386360 1017846708 /nfs/dbraw/zinc/84/67/08/1017846708.db2.gz CUVMJLRICZICIV-YHPBZONMSA-N -1 0 324.333 -0.673 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCCC2(O)CCOCC2)c1=O ZINC001601387566 1017846763 /nfs/dbraw/zinc/84/67/63/1017846763.db2.gz BUKUWFHKZBKQOK-UHFFFAOYSA-N -1 0 324.333 -0.406 20 0 DBADRM O=C([O-])c1nc(Cl)n(CC(=O)NCC(=O)N2CCCC2)n1 ZINC001601390923 1017846910 /nfs/dbraw/zinc/84/69/10/1017846910.db2.gz NMGOGMWWKRRJJF-UHFFFAOYSA-N -1 0 315.717 -0.632 20 0 DBADRM O=C([O-])c1coc(CNC(=O)Cn2nc3n(c2=O)CCCC3)c1 ZINC001601391725 1017847059 /nfs/dbraw/zinc/84/70/59/1017847059.db2.gz USNYIJYZJGVAEU-UHFFFAOYSA-N -1 0 320.305 -0.011 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)Cn1ncn2nccc2c1=O)CC1CC1 ZINC001601391865 1017847080 /nfs/dbraw/zinc/84/70/80/1017847080.db2.gz RZJFISLAIQOLEC-SNVBAGLBSA-N -1 0 319.321 -0.492 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cc(N2CCOCC2)ncn1)C1CC1 ZINC001601393000 1017847120 /nfs/dbraw/zinc/84/71/20/1017847120.db2.gz CEAMHDJFPLZWLY-LBPRGKRZSA-N -1 0 306.322 -0.094 20 0 DBADRM O=C([O-])C12CCC(CC1)N2C(=O)N1CCS(=O)(=O)CC1 ZINC001601392138 1017847238 /nfs/dbraw/zinc/84/72/38/1017847238.db2.gz DMYHVSXLLPSLCN-UHFFFAOYSA-N -1 0 302.352 -0.082 20 0 DBADRM O=C([O-])c1nc[nH]c1NC(=O)Cn1nc2ccccn2c1=O ZINC001601390331 1017847252 /nfs/dbraw/zinc/84/72/52/1017847252.db2.gz COIMTOMABHCEJB-UHFFFAOYSA-N -1 0 302.250 -0.444 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)Cn2ncc3cccnc32)CC1 ZINC001601391851 1017847391 /nfs/dbraw/zinc/84/73/91/1017847391.db2.gz RYHCEZKQJMXUAU-UHFFFAOYSA-N -1 0 304.306 -0.131 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)C1CCS(=O)(=O)CC1 ZINC001601408784 1017847469 /nfs/dbraw/zinc/84/74/69/1017847469.db2.gz KYDJHKPMGOQBJN-QWRGUYRKSA-N -1 0 319.379 -0.050 20 0 DBADRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001601408535 1017847493 /nfs/dbraw/zinc/84/74/93/1017847493.db2.gz IEGSAZPZZDCBRX-OUAUKWLOSA-N -1 0 308.338 -0.021 20 0 DBADRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001601408533 1017847543 /nfs/dbraw/zinc/84/75/43/1017847543.db2.gz IEGSAZPZZDCBRX-GMTAPVOTSA-N -1 0 308.338 -0.021 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001601428326 1017848122 /nfs/dbraw/zinc/84/81/22/1017848122.db2.gz JDCCPCWYNCVROG-ONGXEEELSA-N -1 0 304.310 -0.693 20 0 DBADRM O=C([O-])C1(NC(=O)c2cn(C[C@H]3CCOC3)nn2)CC(CO)C1 ZINC001601426801 1017848204 /nfs/dbraw/zinc/84/82/04/1017848204.db2.gz JNQWGCGZRALTOP-NAUIOFCNSA-N -1 0 324.337 -0.730 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cnc2ccccn21 ZINC001601428913 1017848233 /nfs/dbraw/zinc/84/82/33/1017848233.db2.gz OQBGMOJWCYNUIC-SECBINFHSA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])C1(NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)CC(CO)C1 ZINC001601426829 1017848449 /nfs/dbraw/zinc/84/84/49/1017848449.db2.gz LKEGCICWFHMRMR-UHFFFAOYSA-N -1 0 306.278 -0.381 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1ccn(C(F)F)n1 ZINC001601428860 1017848611 /nfs/dbraw/zinc/84/86/11/1017848611.db2.gz NBEOJVITVWNQTR-ZETCQYMHSA-N -1 0 300.225 -0.247 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2nnc[nH]2)CC1 ZINC001601439770 1017849113 /nfs/dbraw/zinc/84/91/13/1017849113.db2.gz DHYHFISJPLWDAE-BDAKNGLRSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]2CCO)CC1 ZINC001601439541 1017849154 /nfs/dbraw/zinc/84/91/54/1017849154.db2.gz GUUKYXPVIKEVMZ-JQWIXIFHSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CC[C@@H](NC(=O)NC3CC3)C2)n1 ZINC001601434479 1017849485 /nfs/dbraw/zinc/84/94/85/1017849485.db2.gz SJIQIPHAONMOLJ-SNVBAGLBSA-N -1 0 321.337 -0.565 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)C(=O)NC3CCC3)C2)nn1 ZINC001601437223 1017849567 /nfs/dbraw/zinc/84/95/67/1017849567.db2.gz JUUMEEDQJKZESZ-VIFPVBQESA-N -1 0 307.310 -0.582 20 0 DBADRM O=C([O-])c1ccnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 ZINC001601433613 1017849688 /nfs/dbraw/zinc/84/96/88/1017849688.db2.gz JGMVOGDBUDOGKH-UHFFFAOYSA-N -1 0 318.333 -0.293 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)N[C@@H]2CCSC2)CC1 ZINC001601443280 1017850124 /nfs/dbraw/zinc/85/01/24/1017850124.db2.gz GKKKTQWCTSPLMF-ZJUUUORDSA-N -1 0 316.379 -0.708 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1COC[C@@H]1O ZINC001601441672 1017850271 /nfs/dbraw/zinc/85/02/71/1017850271.db2.gz URLCIQHOSDXBGP-NMLBEHRDSA-N -1 0 310.310 -0.525 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H]2CCOC2)c2ccccc2O1 ZINC001601447759 1017850332 /nfs/dbraw/zinc/85/03/32/1017850332.db2.gz PRSHLEUNBUJMOV-JOYOIKCWSA-N -1 0 320.301 -0.230 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001601444924 1017850624 /nfs/dbraw/zinc/85/06/24/1017850624.db2.gz VOTCYSLLIPABRK-BSTOTGJRSA-N -1 0 317.363 -0.440 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2cn[nH]c2)CC1 ZINC001601441780 1017850865 /nfs/dbraw/zinc/85/08/65/1017850865.db2.gz XCQYQUUQECAKCI-GHMZBOCLSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2ccncc2F)C1 ZINC001601447839 1017850887 /nfs/dbraw/zinc/85/08/87/1017850887.db2.gz KNEHYCLHZANFQX-NXEZZACHSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCc2nncn2C1)[C@H]1CCOC1 ZINC001601451166 1017851444 /nfs/dbraw/zinc/85/14/44/1017851444.db2.gz DFHNSEMFLJYFLB-VWYCJHECSA-N -1 0 308.338 -0.306 20 0 DBADRM O=C([O-])c1ccc(NC(=O)NCC(=O)N2CCOCC2)nn1 ZINC001601449396 1017851587 /nfs/dbraw/zinc/85/15/87/1017851587.db2.gz GIZTVSGQHLSXJD-UHFFFAOYSA-N -1 0 309.282 -0.845 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)c2ccsn2)n1 ZINC001601460927 1017851594 /nfs/dbraw/zinc/85/15/94/1017851594.db2.gz JTVJSXZVDKGUER-SSDOTTSWSA-N -1 0 323.334 -0.744 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)CC1 ZINC001601449101 1017851620 /nfs/dbraw/zinc/85/16/20/1017851620.db2.gz UXFPWVSZWJZLBQ-NSHDSACASA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001601449407 1017851784 /nfs/dbraw/zinc/85/17/84/1017851784.db2.gz WGOXEXCYCYEPDL-VHSXEESVSA-N -1 0 318.333 -0.052 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)c2ccsn2)n1 ZINC001601460930 1017851895 /nfs/dbraw/zinc/85/18/95/1017851895.db2.gz JTVJSXZVDKGUER-ZETCQYMHSA-N -1 0 323.334 -0.744 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)CNC(=O)c1cccnc1 ZINC001601449636 1017851969 /nfs/dbraw/zinc/85/19/69/1017851969.db2.gz KAZZWHCCJTUVRY-ZYHUDNBSSA-N -1 0 307.306 -0.752 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)c1ccc2n[nH]c(=O)n2c1)[C@H]1CCOC1 ZINC001601453146 1017852040 /nfs/dbraw/zinc/85/20/40/1017852040.db2.gz IBAIZAAKDWZECU-UWVGGRQHSA-N -1 0 320.305 -0.098 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)[C@H]2COCCN2CC(F)F)CCOC1 ZINC001601473126 1017852295 /nfs/dbraw/zinc/85/22/95/1017852295.db2.gz ITMXDGWVYLOGON-RNCFNFMXSA-N -1 0 322.308 -0.440 20 0 DBADRM O=C([O-])C1(CNC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)CCOCC1 ZINC001601472896 1017852649 /nfs/dbraw/zinc/85/26/49/1017852649.db2.gz RUZBESFOMICJET-SWHJWPDWSA-N -1 0 316.379 -0.217 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)c2cn(-c3cccnc3)nn2)CCOC1 ZINC001601471223 1017852691 /nfs/dbraw/zinc/85/26/91/1017852691.db2.gz ARMXYBGOJLQKPW-CQSZACIVSA-N -1 0 317.305 -0.117 20 0 DBADRM O=C([O-])C1(CNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC001601469817 1017852819 /nfs/dbraw/zinc/85/28/19/1017852819.db2.gz PBJXFALLWQRDFU-UHFFFAOYSA-N -1 0 303.274 -0.189 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCC2(C3CC3)CCC2)C1 ZINC001601474699 1017853018 /nfs/dbraw/zinc/85/30/18/1017853018.db2.gz JDHPZUYRVSDACL-CMPLNLGQSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C2CCCC2)C1 ZINC001601477856 1017853456 /nfs/dbraw/zinc/85/34/56/1017853456.db2.gz QLOWZBMSZPVMDZ-QWRGUYRKSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@H]1CCC12CCOCC2 ZINC001601481563 1017854019 /nfs/dbraw/zinc/85/40/19/1017854019.db2.gz VAPJCHJAMBZKGR-ZJUUUORDSA-N -1 0 316.329 -0.152 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NCC2CCC(F)(F)CC2)C1 ZINC001601480178 1017854023 /nfs/dbraw/zinc/85/40/23/1017854023.db2.gz ITUBHPQEOSKHGE-UHFFFAOYSA-N -1 0 320.292 -0.414 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)C(=O)NC[C@H]3CCOC3)[C@@H]2C1 ZINC001601485081 1017854031 /nfs/dbraw/zinc/85/40/31/1017854031.db2.gz BNUZLUFNXGVBJS-ZIQFBCGOSA-N -1 0 310.350 -0.245 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001601481521 1017854085 /nfs/dbraw/zinc/85/40/85/1017854085.db2.gz SXYGTVCTLIXTIJ-LBELIVKGSA-N -1 0 324.377 -0.167 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)c1cnc[nH]c1=O ZINC001601491037 1017854236 /nfs/dbraw/zinc/85/42/36/1017854236.db2.gz HSUSQEOQACVHKC-ABKJGRNXSA-N -1 0 320.305 -0.695 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)c1cc[n+]([O-])cc1 ZINC001601491376 1017854432 /nfs/dbraw/zinc/85/44/32/1017854432.db2.gz KHMZDEUYHYALNG-NUYITTKVSA-N -1 0 319.317 -0.557 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001601488685 1017854441 /nfs/dbraw/zinc/85/44/41/1017854441.db2.gz UFQKUWBUPBXRER-RKDXNWHRSA-N -1 0 320.305 -0.909 20 0 DBADRM O=C([O-])c1nccc(NC/C=C\CNC(=O)c2cn[nH]c2)n1 ZINC001601490652 1017854484 /nfs/dbraw/zinc/85/44/84/1017854484.db2.gz DWBNKYJXDZCDAU-UPHRSURJSA-N -1 0 302.294 -0.282 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC=CCNC(=O)c1ccc(=O)[nH]n1 ZINC001601490484 1017854540 /nfs/dbraw/zinc/85/45/40/1017854540.db2.gz CFFCQJNDNSRQCT-NPIHWTNLSA-N -1 0 320.305 -0.695 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)CCNC(=O)c2ccc(F)cc2)C1 ZINC001601490953 1017854595 /nfs/dbraw/zinc/85/45/95/1017854595.db2.gz GXSLGURJWYOFRN-HNNXBMFYSA-N -1 0 324.308 -0.006 20 0 DBADRM O=C([O-])c1nccc(NC/C=C/CNC(=O)C2=COCCO2)n1 ZINC001601490504 1017854637 /nfs/dbraw/zinc/85/46/37/1017854637.db2.gz CKDBOOKFNMNJKJ-OWOJBTEDSA-N -1 0 320.305 -0.431 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC2COC2)c2ccccc2O1 ZINC001601488359 1017855253 /nfs/dbraw/zinc/85/52/53/1017855253.db2.gz PVRSMBNDTVLPTC-LBPRGKRZSA-N -1 0 320.301 -0.372 20 0 DBADRM O=C(NCCCCn1ccnc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001601498129 1017855541 /nfs/dbraw/zinc/85/55/41/1017855541.db2.gz CVUPLDJVQGLNEO-XYPYZODXSA-N -1 0 308.338 -0.241 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCCNC(=O)c1csc(=O)[nH]1 ZINC001601498801 1017855577 /nfs/dbraw/zinc/85/55/77/1017855577.db2.gz LMXYBWGFYXYDEY-BQBZGAKWSA-N -1 0 313.335 -0.195 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCCO[C@@H]2CCOC2)C1 ZINC001601499375 1017855711 /nfs/dbraw/zinc/85/57/11/1017855711.db2.gz GSAIYUPWGDXQKV-GHMZBOCLSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCCNC(=O)c1cc2n(n1)CCO2 ZINC001601498685 1017856133 /nfs/dbraw/zinc/85/61/33/1017856133.db2.gz GQHFULGGIGCSHE-DTWKUNHWSA-N -1 0 322.321 -0.768 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)C(=O)NCCCc2ccccc2)C1 ZINC001601501281 1017856202 /nfs/dbraw/zinc/85/62/02/1017856202.db2.gz KJLJTXLHIZPGLE-MRXNPFEDSA-N -1 0 320.345 -0.217 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1cn2cccnc2n1 ZINC001601502887 1017856531 /nfs/dbraw/zinc/85/65/31/1017856531.db2.gz CBIOFKXCEWIGTN-RKDXNWHRSA-N -1 0 317.305 -0.704 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCOC[C@H]2CCOC2)C1 ZINC001601505135 1017856601 /nfs/dbraw/zinc/85/66/01/1017856601.db2.gz BIHBOZYNUOOWQO-WDEREUQCSA-N -1 0 314.338 -0.911 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCO[C@H]2CCOC2)nn1 ZINC001601504094 1017856712 /nfs/dbraw/zinc/85/67/12/1017856712.db2.gz ZGSIDXREWLWPSJ-VIFPVBQESA-N -1 0 313.314 -0.919 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCNC(=O)c2cccnc2)on1 ZINC001601503132 1017856952 /nfs/dbraw/zinc/85/69/52/1017856952.db2.gz ILTNQZKZOMXSRJ-UHFFFAOYSA-N -1 0 304.262 -0.072 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NCCOCC1CCCC1 ZINC001601505751 1017857033 /nfs/dbraw/zinc/85/70/33/1017857033.db2.gz SKWGDCZMOCSOEX-JTQLQIEISA-N -1 0 304.318 -0.152 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNC(=O)c1cnn(C(F)F)c1 ZINC001601504802 1017857070 /nfs/dbraw/zinc/85/70/70/1017857070.db2.gz ZYCGEELJDYLRAL-YUMQZZPRSA-N -1 0 316.264 -0.155 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCc2ccccc2CO)nn1 ZINC001601517786 1017857907 /nfs/dbraw/zinc/85/79/07/1017857907.db2.gz LTPSKSKPVHDFPW-UHFFFAOYSA-N -1 0 319.321 -0.032 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)c1cn(Cc2ccccc2)nn1 ZINC001601509023 1017857998 /nfs/dbraw/zinc/85/79/98/1017857998.db2.gz YDGYLJBZDSWHBZ-LBPRGKRZSA-N -1 0 304.306 -0.108 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)C(=O)NCCn1cccn1)CC2 ZINC001601517992 1017858193 /nfs/dbraw/zinc/85/81/93/1017858193.db2.gz KREPLILKLAIJOB-ABAIWWIYSA-N -1 0 320.349 -0.145 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)NCCn2ncnn2)ccc1F ZINC001601517944 1017858226 /nfs/dbraw/zinc/85/82/26/1017858226.db2.gz JTKCRRKOHMNVTE-UHFFFAOYSA-N -1 0 322.256 -0.735 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)C(=O)N2CC[C@H](CO)C2)cc1 ZINC001601507847 1017858299 /nfs/dbraw/zinc/85/82/99/1017858299.db2.gz ICUUBNUFYLNEOU-LBPRGKRZSA-N -1 0 320.345 -0.116 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2ccc3nncn3c2)nn1 ZINC001601516645 1017858445 /nfs/dbraw/zinc/85/84/45/1017858445.db2.gz AHAROFWXESVJDK-UHFFFAOYSA-N -1 0 301.266 -0.551 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@H](CCO)c2ccco2)nn1 ZINC001601518459 1017858453 /nfs/dbraw/zinc/85/84/53/1017858453.db2.gz VOGSTGJIUVLHHF-SECBINFHSA-N -1 0 323.309 -0.008 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCCn2c(=O)[nH]c3ccccc32)C1 ZINC001601515756 1017858492 /nfs/dbraw/zinc/85/84/92/1017858492.db2.gz AUFXJRPAHOZULJ-UHFFFAOYSA-N -1 0 320.305 -0.417 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCN(c2ccccn2)CC1 ZINC001601520180 1017858678 /nfs/dbraw/zinc/85/86/78/1017858678.db2.gz NYGWENXHWMAVHZ-JTQLQIEISA-N -1 0 324.312 -0.731 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC001601519753 1017858967 /nfs/dbraw/zinc/85/89/67/1017858967.db2.gz DJIOPOUJLHNTOU-GARJFASQSA-N -1 0 316.329 -0.011 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC001601520813 1017858973 /nfs/dbraw/zinc/85/89/73/1017858973.db2.gz VGGSIMBHZIVNFW-DCAQKATOSA-N -1 0 316.329 -0.296 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001601522935 1017859064 /nfs/dbraw/zinc/85/90/64/1017859064.db2.gz NVRTWEVITACHMY-LURQLKTLSA-N -1 0 318.276 -0.684 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@]23C[C@H]2CCC3)C1 ZINC001601520704 1017859464 /nfs/dbraw/zinc/85/94/64/1017859464.db2.gz NCHQIVMTIMGTQP-SQYUCLKFSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC001601526868 1017859702 /nfs/dbraw/zinc/85/97/02/1017859702.db2.gz IXTUYBCQXKPIOZ-OOCWMUITSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CO)[C@H]1CCOC1 ZINC001601523455 1017859772 /nfs/dbraw/zinc/85/97/72/1017859772.db2.gz HWMCGTGFQCIFKR-VPOLOUISSA-N -1 0 302.327 -0.827 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2csnn2)C1 ZINC001601525476 1017860221 /nfs/dbraw/zinc/86/02/21/1017860221.db2.gz LIWBFTGIGQBJER-XAVMHZPKSA-N -1 0 324.362 -0.117 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2cncnc2)C1 ZINC001601525142 1017860389 /nfs/dbraw/zinc/86/03/89/1017860389.db2.gz CXKZESNWFKYWGR-SASUGWTJSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC001601523280 1017860533 /nfs/dbraw/zinc/86/05/33/1017860533.db2.gz BCDRMZSLONHLND-RNJXMRFFSA-N -1 0 315.244 -0.468 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001601525121 1017860589 /nfs/dbraw/zinc/86/05/89/1017860589.db2.gz BQQDKKSYMTUNKH-HZGVNTEJSA-N -1 0 306.278 -0.117 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1(F)F ZINC001601529469 1017861093 /nfs/dbraw/zinc/86/10/93/1017861093.db2.gz YELSSZITFJBYGD-YUMQZZPRSA-N -1 0 323.317 -0.107 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C(=O)NCc3ccco3)C[C@H]1COCC2 ZINC001601544148 1017861117 /nfs/dbraw/zinc/86/11/17/1017861117.db2.gz UJCBSGQALQXALM-ZUZCIYMTSA-N -1 0 322.317 -0.155 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CC[C@H](N2CCCC2=O)C1 ZINC001601526923 1017861373 /nfs/dbraw/zinc/86/13/73/1017861373.db2.gz KDLQXMSRZLFUGE-OUAUKWLOSA-N -1 0 323.349 -0.953 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1 ZINC001601543057 1017861517 /nfs/dbraw/zinc/86/15/17/1017861517.db2.gz ZSWAWZMMWIHINO-VXGBXAGGSA-N -1 0 306.318 -0.091 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCc2nccnc2C1 ZINC001601572705 1017862897 /nfs/dbraw/zinc/86/28/97/1017862897.db2.gz WMKZYDGKJQJPFH-DTORHVGOSA-N -1 0 304.306 -0.659 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)C2 ZINC001601574582 1017863127 /nfs/dbraw/zinc/86/31/27/1017863127.db2.gz PTGZWVZEAZRJIQ-ITMYJUKJSA-N -1 0 309.322 -0.673 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2C[C@H](NC(=O)c3cnsn3)C2)n1 ZINC001601574701 1017863159 /nfs/dbraw/zinc/86/31/59/1017863159.db2.gz YWFKIFNMGYATBO-KNVOCYPGSA-N -1 0 320.334 -0.179 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001601578277 1017863985 /nfs/dbraw/zinc/86/39/85/1017863985.db2.gz MLAFULOSDOYAOV-JQCUSGDOSA-N -1 0 313.228 -0.573 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001601579085 1017863674 /nfs/dbraw/zinc/86/36/74/1017863674.db2.gz UEKUQGINUKREFZ-BGBHGHFISA-N -1 0 316.313 -0.009 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001601577971 1017864014 /nfs/dbraw/zinc/86/40/14/1017864014.db2.gz SNCGPQMIEOGTNY-XKNYDFJKSA-N -1 0 306.322 -0.245 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)C(=O)N3CCC[C@H]3CCO)[C@@H]2C1 ZINC001601578900 1017864060 /nfs/dbraw/zinc/86/40/60/1017864060.db2.gz YVWRLFCOILMJMC-LBELIVKGSA-N -1 0 324.377 -0.025 20 0 DBADRM O=C([O-])c1ccc(NC(=O)c2cnn(C[C@@H](O)CO)c2)cc1O ZINC001601599727 1017864238 /nfs/dbraw/zinc/86/42/38/1017864238.db2.gz WVDOGVFEIKHWTE-SNVBAGLBSA-N -1 0 321.289 -0.108 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnco1 ZINC001601579478 1017864317 /nfs/dbraw/zinc/86/43/17/1017864317.db2.gz WQLGJWAHTQHNJD-KSFAHDSMSA-N -1 0 305.290 -0.418 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncn1 ZINC001601579488 1017864437 /nfs/dbraw/zinc/86/44/37/1017864437.db2.gz XCQWTZTZHINDFB-OFKSJOQMSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])c1cc(F)ccc1NC(=O)C(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC001601605466 1017864592 /nfs/dbraw/zinc/86/45/92/1017864592.db2.gz VZFXFCRNGZUUJQ-AOOOYVTPSA-N -1 0 312.253 -0.974 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(F)nc1 ZINC001601606733 1017864600 /nfs/dbraw/zinc/86/46/00/1017864600.db2.gz RJVAEOAGBYFZGI-WPRPVWTQSA-N -1 0 311.269 -0.404 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NS(=O)(=O)c1ccccn1 ZINC001601643626 1017864856 /nfs/dbraw/zinc/86/48/56/1017864856.db2.gz CXNWZBBTZMCRCK-MRVPVSSYSA-N -1 0 302.308 -0.424 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NS(=O)(=O)C[C@H]1CCCOC1 ZINC001601645116 1017864916 /nfs/dbraw/zinc/86/49/16/1017864916.db2.gz LAXPRLOFMBJGPJ-UWVGGRQHSA-N -1 0 323.367 -0.451 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NS(=O)(=O)CC1CCOCC1 ZINC001601645102 1017864993 /nfs/dbraw/zinc/86/49/93/1017864993.db2.gz KUSXIIHIYKVIEG-SNVBAGLBSA-N -1 0 323.367 -0.451 20 0 DBADRM O=C([O-])[C@H](CNS(=O)(=O)C[C@@H]1CCCO1)[C@@H]1CCOC1 ZINC001601652929 1017865098 /nfs/dbraw/zinc/86/50/98/1017865098.db2.gz GRWARRQVKIYUGC-OUAUKWLOSA-N -1 0 307.368 -0.178 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NS(=O)(=O)CC[C@H]1CCOC1 ZINC001601646340 1017865179 /nfs/dbraw/zinc/86/51/79/1017865179.db2.gz SHNFGZHUKBIPRI-NXEZZACHSA-N -1 0 323.367 -0.451 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001601650205 1017865273 /nfs/dbraw/zinc/86/52/73/1017865273.db2.gz OMVXPMHLMPDAGL-SRQIZXRXSA-N -1 0 321.248 -0.252 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NS(=O)(=O)CC[C@@H]1CCOC1 ZINC001601646342 1017865486 /nfs/dbraw/zinc/86/54/86/1017865486.db2.gz SHNFGZHUKBIPRI-VHSXEESVSA-N -1 0 323.367 -0.451 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C1(CO)CCOCC1)[C@H]1CCOC1 ZINC001601648224 1017865652 /nfs/dbraw/zinc/86/56/52/1017865652.db2.gz YLOGMFURAWJNDL-QWRGUYRKSA-N -1 0 301.339 -0.371 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NS(=O)(=O)CC[C@@H]1CCOC1 ZINC001601646341 1017865734 /nfs/dbraw/zinc/86/57/34/1017865734.db2.gz SHNFGZHUKBIPRI-UWVGGRQHSA-N -1 0 323.367 -0.451 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001601663253 1017866265 /nfs/dbraw/zinc/86/62/65/1017866265.db2.gz RJECRMHGMDOJSD-JQWIXIFHSA-N -1 0 302.290 -0.149 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001601662202 1017866282 /nfs/dbraw/zinc/86/62/82/1017866282.db2.gz GUKPJEDWHFEISM-KCJUWKMLSA-N -1 0 304.310 -0.309 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)NCc2ccc(=O)[nH]n2)CC1 ZINC001601679770 1017866948 /nfs/dbraw/zinc/86/69/48/1017866948.db2.gz FMMPHEUXPAYRQI-LLVKDONJSA-N -1 0 310.310 -0.451 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C[C@H]2C=CS(=O)(=O)C2)CC1 ZINC001601683570 1017867126 /nfs/dbraw/zinc/86/71/26/1017867126.db2.gz QRCGCBVVHOOVQV-BXKDBHETSA-N -1 0 317.363 -0.381 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C2CCS(=O)(=O)CC2)CC1 ZINC001601684050 1017867181 /nfs/dbraw/zinc/86/71/81/1017867181.db2.gz SSUSMVJWXAPRDZ-LLVKDONJSA-N -1 0 319.379 -0.505 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)NCc2nnc3n2CCC3)CC1 ZINC001601683541 1017867448 /nfs/dbraw/zinc/86/74/48/1017867448.db2.gz BSQQNEDTODHTJI-LBPRGKRZSA-N -1 0 323.353 -0.409 20 0 DBADRM O=C([O-])[C@@]1(CNS(=O)(=O)CC[C@@H]2CCOC2)CCOC1 ZINC001601710801 1017867564 /nfs/dbraw/zinc/86/75/64/1017867564.db2.gz HMROHVSXRTUBHG-CMPLNLGQSA-N -1 0 307.368 -0.176 20 0 DBADRM O=C([O-])[C@]1(CNS(=O)(=O)C[C@@H]2CCCOC2)CCOC1 ZINC001601711274 1017867581 /nfs/dbraw/zinc/86/75/81/1017867581.db2.gz NXAANRYRXMDXAU-PWSUYJOCSA-N -1 0 307.368 -0.176 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCC(OCCO)CC2)CC1 ZINC001601711163 1017867770 /nfs/dbraw/zinc/86/77/70/1017867770.db2.gz LUJWNWOVDQXGMQ-UHFFFAOYSA-N -1 0 307.368 -0.346 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC001601684759 1017867956 /nfs/dbraw/zinc/86/79/56/1017867956.db2.gz MQFYKJDLIXLOJO-GHMZBOCLSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C2CCS(=O)(=O)CC2)CC1 ZINC001601684052 1017868016 /nfs/dbraw/zinc/86/80/16/1017868016.db2.gz SSUSMVJWXAPRDZ-NSHDSACASA-N -1 0 319.379 -0.505 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@]2(CCO)CCOC2)CCC1 ZINC001601715163 1017868453 /nfs/dbraw/zinc/86/84/53/1017868453.db2.gz LRCFMJQPMJYBPS-LBPRGKRZSA-N -1 0 321.395 -0.050 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCCn2cncn2)CCC1 ZINC001601715740 1017868536 /nfs/dbraw/zinc/86/85/36/1017868536.db2.gz AXXMJRAAVZHEAL-UHFFFAOYSA-N -1 0 302.356 -0.158 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCc2nnc(C3CC3)[nH]2)CC1 ZINC001601714682 1017868543 /nfs/dbraw/zinc/86/85/43/1017868543.db2.gz NOYWUBVTUIXZBI-UHFFFAOYSA-N -1 0 300.340 -0.034 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@H](O)COCC2CC2)CCC1 ZINC001601713658 1017868819 /nfs/dbraw/zinc/86/88/19/1017868819.db2.gz OWEXEMNQMVVDOE-NSHDSACASA-N -1 0 321.395 -0.052 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N[C@H](CO)C2CCOCC2)CCC1 ZINC001601712968 1017868874 /nfs/dbraw/zinc/86/88/74/1017868874.db2.gz OAXZHNGEIIGLBG-LLVKDONJSA-N -1 0 321.395 -0.052 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N[C@@H](CO)C2CCOCC2)CCC1 ZINC001601725948 1017869925 /nfs/dbraw/zinc/86/99/25/1017869925.db2.gz ZZOAPGJSTIKENE-JTQLQIEISA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CC[C@@H](Cn3ccnn3)C2)CCC1 ZINC001601725595 1017870157 /nfs/dbraw/zinc/87/01/57/1017870157.db2.gz XMJKPSYZDIGDCY-JTQLQIEISA-N -1 0 314.367 -0.063 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)N2CC[C@H]3CCCC[C@H]3C2)C1 ZINC001601726240 1017870328 /nfs/dbraw/zinc/87/03/28/1017870328.db2.gz IXGLDBOQKBRXOT-MNOVXSKESA-N -1 0 318.395 -0.125 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)N2CCCOCC2)CCSC1 ZINC001601721875 1017870475 /nfs/dbraw/zinc/87/04/75/1017870475.db2.gz CYDFFFYKTPROSF-JTQLQIEISA-N -1 0 310.397 -0.497 20 0 DBADRM O=C([O-])C1(O)CCN(Cc2nnnn2CC(F)(F)F)CC1 ZINC001601723428 1017870492 /nfs/dbraw/zinc/87/04/92/1017870492.db2.gz MAWIMFYYJNQWBO-UHFFFAOYSA-N -1 0 309.248 -0.353 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC001601736459 1017870922 /nfs/dbraw/zinc/87/09/22/1017870922.db2.gz HBAWULMLMARFFF-MCDVFOBDSA-N -1 0 320.345 -0.184 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)C2)C1 ZINC001601738783 1017870991 /nfs/dbraw/zinc/87/09/91/1017870991.db2.gz JGYOACPRGMNVKV-GEYZGQBZSA-N -1 0 321.333 -0.267 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001601734518 1017871036 /nfs/dbraw/zinc/87/10/36/1017871036.db2.gz MREJGTLOVNQLBR-SNVBAGLBSA-N -1 0 307.310 -0.532 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)C1 ZINC001601736813 1017871147 /nfs/dbraw/zinc/87/11/47/1017871147.db2.gz KMVLEZRZLXSXQH-DTWKUNHWSA-N -1 0 318.276 -0.496 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)/C=C/CN3CCOCC3)C2)C1 ZINC001601738695 1017871367 /nfs/dbraw/zinc/87/13/67/1017871367.db2.gz HMKWPYGSRCDILN-YLSAJCSVSA-N -1 0 323.349 -0.293 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)c3ccc4n[nH]nc4n3)C2)C1 ZINC001601742384 1017871913 /nfs/dbraw/zinc/87/19/13/1017871913.db2.gz HEIIKUAOLFQHOI-CYBMUJFWSA-N -1 0 316.277 -0.202 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1S(=O)(=O)c1ccc(F)nc1F ZINC001601752973 1017872054 /nfs/dbraw/zinc/87/20/54/1017872054.db2.gz CQRRGFARTYWFMX-HZGVNTEJSA-N -1 0 322.289 -0.042 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(C(=O)CNC(=O)C1CC1)CC2 ZINC001601741945 1017872109 /nfs/dbraw/zinc/87/21/09/1017872109.db2.gz ODCSCDXWOASHFF-UHFFFAOYSA-N -1 0 309.322 -0.265 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1S(=O)(=O)CCOCC1CC1 ZINC001601751649 1017872144 /nfs/dbraw/zinc/87/21/44/1017872144.db2.gz IBCVWUKOJXRAKF-WDEREUQCSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)CCn3cnccc3=O)C2)C1 ZINC001601743155 1017872159 /nfs/dbraw/zinc/87/21/59/1017872159.db2.gz UBPBHQBCNZLKJK-CQSZACIVSA-N -1 0 320.305 -0.535 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1S(=O)(=O)C[C@H]1CCCCO1 ZINC001601752402 1017872244 /nfs/dbraw/zinc/87/22/44/1017872244.db2.gz JYIJWYPZURUGEH-VWYCJHECSA-N -1 0 307.368 -0.205 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(c1ccc3nnnn3n1)CC2 ZINC001601745438 1017872437 /nfs/dbraw/zinc/87/24/37/1017872437.db2.gz YNKSGHHUZYQYTP-UHFFFAOYSA-N -1 0 303.282 -0.281 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)CN1CCC(CO)CC1 ZINC001601751564 1017872466 /nfs/dbraw/zinc/87/24/66/1017872466.db2.gz MKCNFFRSFHHXNY-AAEUAGOBSA-N -1 0 300.355 -0.873 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)CN1CCC(CO)CC1 ZINC001601751569 1017872494 /nfs/dbraw/zinc/87/24/94/1017872494.db2.gz MKCNFFRSFHHXNY-WCQYABFASA-N -1 0 300.355 -0.873 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(Cn3nc4ccccn4c3=O)C2)C1 ZINC001601744927 1017872593 /nfs/dbraw/zinc/87/25/93/1017872593.db2.gz SOLVIXPLDGWLCG-AWEZNQCLSA-N -1 0 317.305 -0.241 20 0 DBADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC001601757090 1017873012 /nfs/dbraw/zinc/87/30/12/1017873012.db2.gz ZSAQOPNPVPHXNV-SCVCMEIPSA-N -1 0 321.333 -0.362 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1cc(Cn2cccn2)on1 ZINC001601756637 1017873031 /nfs/dbraw/zinc/87/30/31/1017873031.db2.gz CWMVCNCNJSRHQU-NEPJUHHUSA-N -1 0 320.305 -0.031 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC001601758521 1017873156 /nfs/dbraw/zinc/87/31/56/1017873156.db2.gz CAQABKCFMYHEIP-VXGBXAGGSA-N -1 0 309.366 -0.179 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1ccnc(-n2cncn2)c1 ZINC001601758395 1017873258 /nfs/dbraw/zinc/87/32/58/1017873258.db2.gz QCGQWDBVQTYNIZ-ZYHUDNBSSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1ccc(Cn2ccnn2)o1 ZINC001601758404 1017873502 /nfs/dbraw/zinc/87/35/02/1017873502.db2.gz QIKPAVVUVGCINI-CMPLNLGQSA-N -1 0 320.305 -0.031 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1cccc(-n2cnnn2)c1 ZINC001601758568 1017873750 /nfs/dbraw/zinc/87/37/50/1017873750.db2.gz RFESUKROLPTGLJ-NEPJUHHUSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCCOC[C@H]2CCCO2)C1 ZINC001601764788 1017874564 /nfs/dbraw/zinc/87/45/64/1017874564.db2.gz UTTQZEVEZCYWLZ-GRYCIOLGSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CC3(C2)CCCC3)C1 ZINC001601760767 1017874772 /nfs/dbraw/zinc/87/47/72/1017874772.db2.gz SVYSJZPPUKSAIW-GHMZBOCLSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)CCOC[C@H]2CCCO2)C1 ZINC001601767478 1017875354 /nfs/dbraw/zinc/87/53/54/1017875354.db2.gz RKBRKURIHYELCO-IJLUTSLNSA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@H]2CC(c3ccccn3)=NO2)C1 ZINC001601766762 1017875370 /nfs/dbraw/zinc/87/53/70/1017875370.db2.gz OZKNZOLOQAIGPV-GBIKHYSHSA-N -1 0 319.317 -0.131 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(S(=O)(=O)CCOCC2CCC2)C1 ZINC001601767877 1017875629 /nfs/dbraw/zinc/87/56/29/1017875629.db2.gz GXLTXEUJUYTWDG-VXGBXAGGSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)CCCN2C(=O)CCC2=O)C1 ZINC001601767647 1017875661 /nfs/dbraw/zinc/87/56/61/1017875661.db2.gz SCAZPZHJQCVPKH-VHSXEESVSA-N -1 0 312.322 -0.790 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001601769185 1017875700 /nfs/dbraw/zinc/87/57/00/1017875700.db2.gz YLUMPSLHMPPDAG-GMTAPVOTSA-N -1 0 319.379 -0.505 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]3C2)C1 ZINC001601768894 1017876242 /nfs/dbraw/zinc/87/62/42/1017876242.db2.gz XLYXSCJIMUIBFK-KXNHARMFSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)CN2C(=O)Cc3ccccc32)C1 ZINC001601768326 1017876381 /nfs/dbraw/zinc/87/63/81/1017876381.db2.gz UKIITJTYMRWWMW-NEPJUHHUSA-N -1 0 318.329 -0.130 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001601776063 1017876696 /nfs/dbraw/zinc/87/66/96/1017876696.db2.gz RRPRVRFWTAJZOP-LVEVGFFFSA-N -1 0 308.334 -0.826 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1nnnn1CC1CCOCC1 ZINC001601773151 1017876860 /nfs/dbraw/zinc/87/68/60/1017876860.db2.gz NBGYHLWLROOTJT-MNOVXSKESA-N -1 0 311.342 -0.881 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC001601772505 1017876867 /nfs/dbraw/zinc/87/68/67/1017876867.db2.gz KONYBYIRPUPEMH-RNJOBUHISA-N -1 0 312.366 -0.324 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(Cc2cn(C[C@H]3CCCO3)nn2)C1 ZINC001601770275 1017877477 /nfs/dbraw/zinc/87/74/77/1017877477.db2.gz WAIUMZNTVXNAHM-RAIGVLPGSA-N -1 0 310.354 -0.276 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001601776526 1017877973 /nfs/dbraw/zinc/87/79/73/1017877973.db2.gz ALZCEFMRJAJNIN-VXGBXAGGSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2ccnnc2)CC1 ZINC001601776779 1017878109 /nfs/dbraw/zinc/87/81/09/1017878109.db2.gz CFKJJVIPZUEJNR-NEPJUHHUSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)C1(C2CC2)CC1 ZINC001601776236 1017878346 /nfs/dbraw/zinc/87/83/46/1017878346.db2.gz WNKCSPWKEQLQSV-VXGBXAGGSA-N -1 0 324.377 -0.166 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)C1(C2CC2)CC1 ZINC001601776235 1017878596 /nfs/dbraw/zinc/87/85/96/1017878596.db2.gz WNKCSPWKEQLQSV-RYUDHWBXSA-N -1 0 324.377 -0.166 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2cnns2)CC1 ZINC001601776527 1017878643 /nfs/dbraw/zinc/87/86/43/1017878643.db2.gz ALZDCMIYTTXDFC-BDAKNGLRSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2ccnnc2)CC1 ZINC001601776782 1017878655 /nfs/dbraw/zinc/87/86/55/1017878655.db2.gz CFKJJVIPZUEJNR-VXGBXAGGSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(CC2CC(F)(F)C2)C1 ZINC001601777394 1017878836 /nfs/dbraw/zinc/87/88/36/1017878836.db2.gz FIVWHADGNBACGH-VHSXEESVSA-N -1 0 318.320 -0.085 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cn[nH]c3)C[C@H]21 ZINC001601777814 1017879071 /nfs/dbraw/zinc/87/90/71/1017879071.db2.gz ALSSYFCOTGOXPU-XXFSISAASA-N -1 0 304.306 -0.683 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001601777831 1017879213 /nfs/dbraw/zinc/87/92/13/1017879213.db2.gz ARPWDIMHTNDMRN-KZVJFYERSA-N -1 0 309.326 -0.785 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001601777148 1017879293 /nfs/dbraw/zinc/87/92/93/1017879293.db2.gz GDRCJHUABSMTLB-WDEREUQCSA-N -1 0 306.322 -0.656 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cnn(CCF)c2)C1 ZINC001601778003 1017879409 /nfs/dbraw/zinc/87/94/09/1017879409.db2.gz HKDUGAXFDXFOMI-QWRGUYRKSA-N -1 0 324.312 -0.486 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cnn(CCF)c2)C1 ZINC001601777998 1017879493 /nfs/dbraw/zinc/87/94/93/1017879493.db2.gz HKDUGAXFDXFOMI-GHMZBOCLSA-N -1 0 324.312 -0.486 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)Cn2nccn2)CC1 ZINC001601777504 1017879654 /nfs/dbraw/zinc/87/96/54/1017879654.db2.gz HXFCYIVTSLYQIT-MNOVXSKESA-N -1 0 321.337 -0.940 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCN(C(=O)c1ncc[nH]1)C1CC1 ZINC001601779463 1017880140 /nfs/dbraw/zinc/88/01/40/1017880140.db2.gz JAJVUBWXAJOGCG-VHSXEESVSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC001601779178 1017880326 /nfs/dbraw/zinc/88/03/26/1017880326.db2.gz ORAVYHPEJAEMHP-RKDXNWHRSA-N -1 0 316.321 -0.278 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)Cc2ncccc2F)C1 ZINC001601779590 1017880416 /nfs/dbraw/zinc/88/04/16/1017880416.db2.gz NDZOKULICYNQEU-ZJUUUORDSA-N -1 0 321.308 -0.189 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001601779157 1017880462 /nfs/dbraw/zinc/88/04/62/1017880462.db2.gz ONMPCBWUKGQJBU-KVSVUVNWSA-N -1 0 322.361 -0.340 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2cncnc2)CC1 ZINC001601779076 1017880525 /nfs/dbraw/zinc/88/05/25/1017880525.db2.gz LCVWLZIWGQDYKY-NWDGAFQWSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)CC(F)(F)F)C1 ZINC001601779370 1017880772 /nfs/dbraw/zinc/88/07/72/1017880772.db2.gz LLXZKBPKSQOWJF-NKWVEPMBSA-N -1 0 324.255 -0.651 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1=CCN(C(=O)c2nc[nH]n2)CC1 ZINC001601778591 1017880928 /nfs/dbraw/zinc/88/09/28/1017880928.db2.gz JOVBGLLNTUOWRL-UWVGGRQHSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001601779156 1017880978 /nfs/dbraw/zinc/88/09/78/1017880978.db2.gz ONMPCBWUKGQJBU-JZRPKSSGSA-N -1 0 322.361 -0.340 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2ccco2)C1 ZINC001601781117 1017881396 /nfs/dbraw/zinc/88/13/96/1017881396.db2.gz UJZQAVLWVVOVJN-VHSXEESVSA-N -1 0 322.317 -0.307 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1cc(=O)n2[n-]ccc2n1)C(F)F ZINC001498908121 1017882020 /nfs/dbraw/zinc/88/20/20/1017882020.db2.gz VKFJOVOTFFXQOE-VIFPVBQESA-N -1 0 311.292 -0.022 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)Cc2cc[nH]n2)C1 ZINC001601780732 1017882045 /nfs/dbraw/zinc/88/20/45/1017882045.db2.gz MPTAZGZXXDDEIW-MNOVXSKESA-N -1 0 306.322 -0.753 20 0 DBADRM COCC(=O)NC[C@@H]1CCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC001498906047 1017882082 /nfs/dbraw/zinc/88/20/82/1017882082.db2.gz ATRKCFNQRHZREL-NSHDSACASA-N -1 0 305.338 -0.641 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(NCc2nnnn2C2CC2)CC1 ZINC001601781945 1017882507 /nfs/dbraw/zinc/88/25/07/1017882507.db2.gz UKWHPQWUGOMNOI-ZJUUUORDSA-N -1 0 320.353 -0.533 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(NCc2nnnn2C2CC2)CC1 ZINC001601781936 1017882819 /nfs/dbraw/zinc/88/28/19/1017882819.db2.gz UKWHPQWUGOMNOI-NXEZZACHSA-N -1 0 320.353 -0.533 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)Cc2ccon2)CC1 ZINC001601782779 1017883098 /nfs/dbraw/zinc/88/30/98/1017883098.db2.gz YNBDQGKDLSDNEZ-NWDGAFQWSA-N -1 0 321.333 -0.001 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(CC(=O)N2CCCCC2)C1 ZINC001601781736 1017883167 /nfs/dbraw/zinc/88/31/67/1017883167.db2.gz STUTZCGRXQHWDN-VXGBXAGGSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCN(C(=O)Cc1cc[nH]n1)C1CC1 ZINC001601782375 1017883392 /nfs/dbraw/zinc/88/33/92/1017883392.db2.gz QPHNAUOSOCCJGI-NEPJUHHUSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCN(C(=O)c1cccnn1)C1CC1 ZINC001601785014 1017883737 /nfs/dbraw/zinc/88/37/37/1017883737.db2.gz WRDFZZZYWXTORO-WDEREUQCSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])C1CCC(S(=O)(=O)N[C@H](CO)[C@@H]2CCOC2)CC1 ZINC001601799484 1017883891 /nfs/dbraw/zinc/88/38/91/1017883891.db2.gz QGIRDKHMFNIVBA-RUJICJSRSA-N -1 0 321.395 -0.053 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cncc(F)c2)C1 ZINC001601784509 1017884112 /nfs/dbraw/zinc/88/41/12/1017884112.db2.gz YTUGBKWOOBXUTI-QWRGUYRKSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2cnsn2)CC1 ZINC001601783934 1017884138 /nfs/dbraw/zinc/88/41/38/1017884138.db2.gz XSBDGJISKNRDDO-DTWKUNHWSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cc3n(n2)CCC3)C1 ZINC001601784560 1017884245 /nfs/dbraw/zinc/88/42/45/1017884245.db2.gz ZJMMADINRCUZGF-WDEREUQCSA-N -1 0 318.333 -0.509 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)N2C1 ZINC001601798274 1017884368 /nfs/dbraw/zinc/88/43/68/1017884368.db2.gz MMELEBLWWTVRRB-VGMNWLOBSA-N -1 0 316.335 -0.699 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCN(C(=O)c1cccnn1)C1CC1 ZINC001601785008 1017884444 /nfs/dbraw/zinc/88/44/44/1017884444.db2.gz WRDFZZZYWXTORO-MNOVXSKESA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@@]1(O)CCOC1 ZINC001601810093 1017884753 /nfs/dbraw/zinc/88/47/53/1017884753.db2.gz KKFOMMOKNIOWBS-FOGDFJRCSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCc3n[nH]nc3C2)C1=O ZINC001601816184 1017884791 /nfs/dbraw/zinc/88/47/91/1017884791.db2.gz GEWIOWIDJGSJKD-QMMMGPOBSA-N -1 0 307.310 -0.987 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCC[C@@H]3COC[C@@H]32)C1=O ZINC001601816568 1017884844 /nfs/dbraw/zinc/88/48/44/1017884844.db2.gz BSAXOZHLOIHJCV-UTUOFQBUSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001601815322 1017884973 /nfs/dbraw/zinc/88/49/73/1017884973.db2.gz ATXLZFOQWBZDPQ-NEPJUHHUSA-N -1 0 311.338 -0.294 20 0 DBADRM CCOCC(=O)NC[C@H]1CCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC001498921059 1017885149 /nfs/dbraw/zinc/88/51/49/1017885149.db2.gz SOMGYOHJLKPASP-GFCCVEGCSA-N -1 0 319.365 -0.250 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)NCCN1CCNC1=O ZINC001601810120 1017885326 /nfs/dbraw/zinc/88/53/26/1017885326.db2.gz KPKFMPQMUWDFKK-ZJUUUORDSA-N -1 0 319.383 -0.426 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC001601813292 1017885350 /nfs/dbraw/zinc/88/53/50/1017885350.db2.gz XOGOTLMTBLAGML-FIQHERPVSA-N -1 0 321.395 -0.508 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2C[C@@H]3[C@H](O)CC[C@@H]3C2)C1=O ZINC001601816738 1017885406 /nfs/dbraw/zinc/88/54/06/1017885406.db2.gz IDGFSOAKGZOIJQ-WISYIIOYSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCc3n[nH]cc3C2)C1=O ZINC001601819050 1017885719 /nfs/dbraw/zinc/88/57/19/1017885719.db2.gz ZFDSSENMUCGKDX-SNVBAGLBSA-N -1 0 306.322 -0.382 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@]3(CCOC3)C2)C1=O ZINC001601818127 1017885920 /nfs/dbraw/zinc/88/59/20/1017885920.db2.gz JFICYAFOVRRLBZ-ABAIWWIYSA-N -1 0 310.350 -0.051 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@@](O)(C(F)F)C2)C1=O ZINC001601818371 1017885979 /nfs/dbraw/zinc/88/59/79/1017885979.db2.gz LSSNKXXHNIDNLW-OQPBUACISA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])C1CCN(C(=O)Cn2cnc3c(c2=O)COCC3)CC1 ZINC001601821949 1017886001 /nfs/dbraw/zinc/88/60/01/1017886001.db2.gz NTWHHGGDYBZLCW-UHFFFAOYSA-N -1 0 321.333 -0.361 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCCn3nncc3C2)C1=O ZINC001601819075 1017886101 /nfs/dbraw/zinc/88/61/01/1017886101.db2.gz SCWIZOGUVSTLBP-LLVKDONJSA-N -1 0 321.337 -0.666 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCc3n[nH]cc3C2)C1=O ZINC001601819048 1017886286 /nfs/dbraw/zinc/88/62/86/1017886286.db2.gz ZFDSSENMUCGKDX-JTQLQIEISA-N -1 0 306.322 -0.382 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001601820087 1017886323 /nfs/dbraw/zinc/88/63/23/1017886323.db2.gz DSSHMFVCHRHPEW-SFYZADRCSA-N -1 0 324.255 -0.291 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@](F)(CO)C2)C1=O ZINC001601819046 1017886534 /nfs/dbraw/zinc/88/65/34/1017886534.db2.gz RTTCTYAKVOAUQF-NOZJJQNGSA-N -1 0 302.302 -0.758 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCO[C@H](C(=O)C3CC3)C2)CC1 ZINC001601823148 1017887037 /nfs/dbraw/zinc/88/70/37/1017887037.db2.gz KUBBARAQIYLLHL-ZDUSSCGKSA-N -1 0 324.377 -0.011 20 0 DBADRM O=C([O-])[C@@H]1CCN1C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001601835134 1017887682 /nfs/dbraw/zinc/88/76/82/1017887682.db2.gz WVTDKWDPHXBNTA-WPRPVWTQSA-N -1 0 311.319 -0.598 20 0 DBADRM O=C([O-])[C@@H]1CN(CC(=O)N2CCNC2=O)c2ccccc2O1 ZINC001601850121 1017888078 /nfs/dbraw/zinc/88/80/78/1017888078.db2.gz ADWKYRZTHUSTJB-NSHDSACASA-N -1 0 305.290 -0.110 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2CC2SCCS2)CCO1 ZINC001601848783 1017888227 /nfs/dbraw/zinc/88/82/27/1017888227.db2.gz AQYRMLQETHAZFD-ZETCQYMHSA-N -1 0 317.396 -0.231 20 0 DBADRM O=C([O-])[C@H]1CN(CN2C(=O)CN(C3CCCC3)C2=O)CCO1 ZINC001601848519 1017888313 /nfs/dbraw/zinc/88/83/13/1017888313.db2.gz TVUZJYNVZSASQO-LLVKDONJSA-N -1 0 311.338 -0.064 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2CCC[C@@H]2CCOC2)CCO1 ZINC001601850969 1017888342 /nfs/dbraw/zinc/88/83/42/1017888342.db2.gz SGUXETITIYPFEN-MNOVXSKESA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2[C@H]2CO[C@@H](C3CC3)C2)CCO1 ZINC001601849657 1017888489 /nfs/dbraw/zinc/88/84/89/1017888489.db2.gz JNUTYMVTMPTBFE-MXWKQRLJSA-N -1 0 309.326 -0.297 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(C2CC2)no1 ZINC001601853907 1017889175 /nfs/dbraw/zinc/88/91/75/1017889175.db2.gz FHTWPVUIRCTAEN-SECBINFHSA-N -1 0 314.319 -0.124 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(F)cn1 ZINC001601853956 1017889291 /nfs/dbraw/zinc/88/92/91/1017889291.db2.gz HUASYSCRNGBUJW-SNVBAGLBSA-N -1 0 316.310 -0.527 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCCCS1 ZINC001601853765 1017889529 /nfs/dbraw/zinc/88/95/29/1017889529.db2.gz QOHFRAACTKMWJZ-BDAKNGLRSA-N -1 0 307.393 -0.018 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C1CC2(CSC2)C1 ZINC001601853667 1017889784 /nfs/dbraw/zinc/88/97/84/1017889784.db2.gz HJHKRQJIEYKPRI-SECBINFHSA-N -1 0 319.404 -0.160 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc2cc[nH]c2n1 ZINC001601853953 1017890005 /nfs/dbraw/zinc/89/00/05/1017890005.db2.gz HPXMWWDLIKLUNH-JTQLQIEISA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1noc(C2CC2)n1 ZINC001601854418 1017890313 /nfs/dbraw/zinc/89/03/13/1017890313.db2.gz GWLPJEGMFAMLFI-QMMMGPOBSA-N -1 0 301.324 -0.369 20 0 DBADRM O=C([O-])[C@H]1CSCCN(S(=O)(=O)CCn2ccnc2)C1 ZINC001601855650 1017890441 /nfs/dbraw/zinc/89/04/41/1017890441.db2.gz FBIAAZGKUSTYKF-SNVBAGLBSA-N -1 0 319.408 -0.038 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CCn1cc(Cl)cn1 ZINC001601854649 1017890459 /nfs/dbraw/zinc/89/04/59/1017890459.db2.gz SSTXPCAASOGVJO-SECBINFHSA-N -1 0 307.759 -0.280 20 0 DBADRM O=C([O-])C[C@H](NS(=O)(=O)CCCN1CCOCC1)C1CC1 ZINC001601908418 1017890799 /nfs/dbraw/zinc/89/07/99/1017890799.db2.gz FRDSOAMNMQICSL-LBPRGKRZSA-N -1 0 320.411 -0.119 20 0 DBADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@H](CO)CN2CCOCC2)o1 ZINC001601875679 1017891093 /nfs/dbraw/zinc/89/10/93/1017891093.db2.gz VWMOIYSLBDIRET-FWEMWIAWSA-N -1 0 324.333 -0.200 20 0 DBADRM O=C([O-])C[C@H](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC001601906954 1017891101 /nfs/dbraw/zinc/89/11/01/1017891101.db2.gz PTISMHHIQHYFKZ-MNOVXSKESA-N -1 0 316.379 -0.078 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)CCCN1C(=O)CNC1=O)C1CC1 ZINC001601894009 1017891698 /nfs/dbraw/zinc/89/16/98/1017891698.db2.gz XNOGFIGWDWZLNO-SNVBAGLBSA-N -1 0 311.338 -0.065 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)C(=O)N1CCC(CO)CC1)C1CC1 ZINC001601889555 1017891702 /nfs/dbraw/zinc/89/17/02/1017891702.db2.gz AJMPDZMWLROQDX-LBPRGKRZSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001601890588 1017891753 /nfs/dbraw/zinc/89/17/53/1017891753.db2.gz HQOSHMKNVUMOLC-RXSPXGNFSA-N -1 0 322.361 -0.105 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Cn1c(=O)cnc2ccccc21 ZINC001601911614 1017891876 /nfs/dbraw/zinc/89/18/76/1017891876.db2.gz IQHVZXAAJOWIQD-SECBINFHSA-N -1 0 305.290 -0.652 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)c1ccc(CN2CCOCC2)cn1 ZINC001601910837 1017891960 /nfs/dbraw/zinc/89/19/60/1017891960.db2.gz OMBLVKYFMSHSLA-GFCCVEGCSA-N -1 0 323.349 -0.521 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1cnn(C(F)F)c1 ZINC001601910050 1017891988 /nfs/dbraw/zinc/89/19/88/1017891988.db2.gz XKLWZAHKJNJELB-ZCFIWIBFSA-N -1 0 306.225 -0.832 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001601910809 1017892465 /nfs/dbraw/zinc/89/24/65/1017892465.db2.gz NSSXIPIEUWOJRP-LLVKDONJSA-N -1 0 320.301 -0.095 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)c1ccc(CN2CCOCC2)cn1 ZINC001601910838 1017892785 /nfs/dbraw/zinc/89/27/85/1017892785.db2.gz OMBLVKYFMSHSLA-LBPRGKRZSA-N -1 0 323.349 -0.521 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CCOC1 ZINC001601926335 1017893077 /nfs/dbraw/zinc/89/30/77/1017893077.db2.gz KTVZXUGYFMHKOG-ISVAXAHUSA-N -1 0 310.310 -0.704 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCC2(CO)CCOCC2)CC1 ZINC001601922549 1017893327 /nfs/dbraw/zinc/89/33/27/1017893327.db2.gz VLEVCTZLNPXRAO-UHFFFAOYSA-N -1 0 321.395 -0.050 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)[C@@H]2CCS(=O)(=O)C2)CCCOC1 ZINC001601926145 1017893371 /nfs/dbraw/zinc/89/33/71/1017893371.db2.gz FRKYJVNYWMSJPM-BXKDBHETSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)C(=O)Nc2cnsn2)CCOC1 ZINC001601924154 1017893631 /nfs/dbraw/zinc/89/36/31/1017893631.db2.gz FNLCGPOOARWFIR-SNVBAGLBSA-N -1 0 300.296 -0.773 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCCN2CCNC2=S)CC1 ZINC001601923908 1017893780 /nfs/dbraw/zinc/89/37/80/1017893780.db2.gz UGJZOLFPXXVNKN-UHFFFAOYSA-N -1 0 321.424 -0.649 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CCOC1 ZINC001601926337 1017893957 /nfs/dbraw/zinc/89/39/57/1017893957.db2.gz KTVZXUGYFMHKOG-SDBXPKJASA-N -1 0 310.310 -0.704 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)CN2CCN(C3CC3)C2=O)CCOC1 ZINC001601927154 1017894151 /nfs/dbraw/zinc/89/41/51/1017894151.db2.gz WMQFYPGMMLUOCQ-CQSZACIVSA-N -1 0 311.338 -0.364 20 0 DBADRM O=C([O-])CC1(NC(=O)Cc2ncc[nH]2)CCS(=O)(=O)CC1 ZINC001601928182 1017894281 /nfs/dbraw/zinc/89/42/81/1017894281.db2.gz YNHPUVHEDQYEFK-UHFFFAOYSA-N -1 0 315.351 -0.510 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)C1SCCCS1 ZINC001601938687 1017894755 /nfs/dbraw/zinc/89/47/55/1017894755.db2.gz DRQPVZMLMJAFIX-ZETCQYMHSA-N -1 0 304.393 -0.016 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc2cc[nH]c2n1 ZINC001601940178 1017895214 /nfs/dbraw/zinc/89/52/14/1017895214.db2.gz GUXCGXIZZMMWBH-JTQLQIEISA-N -1 0 302.290 -0.022 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CN1CCc2ccccc21 ZINC001601938640 1017895392 /nfs/dbraw/zinc/89/53/92/1017895392.db2.gz CUADYPZFCPXKTP-CYBMUJFWSA-N -1 0 317.345 -0.149 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)COCc1cccnc1 ZINC001601939654 1017895612 /nfs/dbraw/zinc/89/56/12/1017895612.db2.gz PZJRDLQCVCTSQL-LLVKDONJSA-N -1 0 307.306 -0.600 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cnc(C2CC2)nc1 ZINC001601940794 1017896044 /nfs/dbraw/zinc/89/60/44/1017896044.db2.gz IQXNGKJPFMBVJE-SNVBAGLBSA-N -1 0 304.306 -0.231 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cc2n(n1)CCCO2 ZINC001601942216 1017896064 /nfs/dbraw/zinc/89/60/64/1017896064.db2.gz PNHYDIWPDWHNAD-VIFPVBQESA-N -1 0 308.294 -0.919 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)C[C@@H]1CCCOC1 ZINC001601940779 1017896317 /nfs/dbraw/zinc/89/63/17/1017896317.db2.gz MVYUQBYWXSOJMN-NXEZZACHSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cnc(C2CC2)nc1 ZINC001601940773 1017896335 /nfs/dbraw/zinc/89/63/35/1017896335.db2.gz IQXNGKJPFMBVJE-JTQLQIEISA-N -1 0 304.306 -0.231 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1nnnn1CC(F)(F)F ZINC001601940904 1017896398 /nfs/dbraw/zinc/89/63/98/1017896398.db2.gz OKSWJNAVIAGTDX-ZCFIWIBFSA-N -1 0 322.247 -0.990 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2CCN(CC3CC3)CC2)C1 ZINC001601942559 1017896423 /nfs/dbraw/zinc/89/64/23/1017896423.db2.gz USXASRPOIAJMOP-UHFFFAOYSA-N -1 0 323.393 -0.090 20 0 DBADRM O=C([O-])CC1CC(NC(=O)NC[C@]2(OCCO)CCOC2)C1 ZINC001601944003 1017896533 /nfs/dbraw/zinc/89/65/33/1017896533.db2.gz OJYHKJQOFXQMJR-QIMFLAQGSA-N -1 0 316.354 -0.293 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)NCCO[C@H]1CCOC1 ZINC001601951779 1017897164 /nfs/dbraw/zinc/89/71/64/1017897164.db2.gz JYQPLUNNEFIKOG-QWRGUYRKSA-N -1 0 314.338 -0.626 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC001601950854 1017897334 /nfs/dbraw/zinc/89/73/34/1017897334.db2.gz BWEVWAONLLYPDV-MWLCHTKSSA-N -1 0 323.349 -0.668 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N2CCC=C(F)C2)CCO1 ZINC001601957967 1017897718 /nfs/dbraw/zinc/89/77/18/1017897718.db2.gz LSKGCJUFYZTACR-SNVBAGLBSA-N -1 0 300.286 -0.226 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCO2)CCO1 ZINC001601959952 1017898191 /nfs/dbraw/zinc/89/81/91/1017898191.db2.gz YYBSYVUWVBFVRU-QWRGUYRKSA-N -1 0 314.338 -0.626 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001498984250 1017898197 /nfs/dbraw/zinc/89/81/97/1017898197.db2.gz MHJSGTOVPGDDGZ-IUCAKERBSA-N -1 0 310.358 -0.885 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)N2CCn3cccc3C2)CCO1 ZINC001601960150 1017898467 /nfs/dbraw/zinc/89/84/67/1017898467.db2.gz ZPCQJAKWQNTSHV-LBPRGKRZSA-N -1 0 321.333 -0.468 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCc2cscn2)CCO1 ZINC001601959789 1017898566 /nfs/dbraw/zinc/89/85/66/1017898566.db2.gz YAOZUEGHEQTXNM-SECBINFHSA-N -1 0 313.335 -0.539 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)c1cccn2c(=O)[nH]nc12 ZINC001601966059 1017898992 /nfs/dbraw/zinc/89/89/92/1017898992.db2.gz UVPZSOCONLTPCK-MRVPVSSYSA-N -1 0 306.278 -0.249 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)CC1(O)CCCC1 ZINC001601965298 1017899042 /nfs/dbraw/zinc/89/90/42/1017899042.db2.gz NCEDNQWEQVULTE-JTQLQIEISA-N -1 0 319.379 -0.218 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1Cc1nnn(CC(F)(F)F)n1 ZINC001601965239 1017899112 /nfs/dbraw/zinc/89/91/12/1017899112.db2.gz MAHUDFJMPXOEMA-SSDOTTSWSA-N -1 0 309.248 -0.089 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)C1=COCCC1 ZINC001601965350 1017899139 /nfs/dbraw/zinc/89/91/39/1017899139.db2.gz NTHJCJWTPVODRP-JTQLQIEISA-N -1 0 303.336 -0.219 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)N1CCCOCC1 ZINC001601964607 1017899249 /nfs/dbraw/zinc/89/92/49/1017899249.db2.gz GMTWREPHTRHQLA-SNVBAGLBSA-N -1 0 308.356 -0.871 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)c1cn(C2CCOCC2)nn1 ZINC001601965782 1017899588 /nfs/dbraw/zinc/89/95/88/1017899588.db2.gz QGUAMNOFGNKTGC-NSHDSACASA-N -1 0 324.337 -0.055 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc[n+]1[O-] ZINC001601967588 1017899851 /nfs/dbraw/zinc/89/98/51/1017899851.db2.gz HHBATDPBZSGORD-SECBINFHSA-N -1 0 314.319 -0.966 20 0 DBADRM O=C([O-])C[C@@H]1CN(c2nnnn2Cc2ccc(F)cn2)CCO1 ZINC001601966478 1017899868 /nfs/dbraw/zinc/89/98/68/1017899868.db2.gz SXACHIXTPPRQMQ-LLVKDONJSA-N -1 0 322.300 -0.065 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1CCN2CCOC[C@H]2C1 ZINC001601986543 1017900418 /nfs/dbraw/zinc/90/04/18/1017900418.db2.gz QQZWMEMHNHBYOT-GFCCVEGCSA-N -1 0 320.411 -0.022 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)NCCN1CCNC1=S ZINC001601986309 1017901390 /nfs/dbraw/zinc/90/13/90/1017901390.db2.gz RMMBGOQIUCYKDJ-UHFFFAOYSA-N -1 0 323.440 -0.259 20 0 DBADRM O=C([O-])CCCNC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC001601991425 1017903520 /nfs/dbraw/zinc/90/35/20/1017903520.db2.gz UOKKWGAVEGHABW-NSHDSACASA-N -1 0 312.370 -0.543 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1[C@H]1CCN(C2CC2)C1=O ZINC001601968852 1017903777 /nfs/dbraw/zinc/90/37/77/1017903777.db2.gz UGZIBEQWMHBYAA-QWRGUYRKSA-N -1 0 316.379 -0.677 20 0 DBADRM O=C([O-])CCCNC(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001601991516 1017905871 /nfs/dbraw/zinc/90/58/71/1017905871.db2.gz VHFOHIXEKUQKFL-SECBINFHSA-N -1 0 309.326 -0.075 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC001601998545 1017906185 /nfs/dbraw/zinc/90/61/85/1017906185.db2.gz NIZXOPDLDMTKES-UHFFFAOYSA-N -1 0 318.273 -0.155 20 0 DBADRM O=C([O-])CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C1CCOCC1 ZINC001602004147 1017907187 /nfs/dbraw/zinc/90/71/87/1017907187.db2.gz VNCMSNKNRXTRBE-VIFPVBQESA-N -1 0 313.310 -0.933 20 0 DBADRM O=C([O-])CCCNC(=S)NC[C@@]12COC(=O)N1CCOC2 ZINC001601993253 1017907369 /nfs/dbraw/zinc/90/73/69/1017907369.db2.gz IJRIRUPYPBRLDH-GFCCVEGCSA-N -1 0 317.367 -0.464 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC(C(=O)NCCO)CC1 ZINC001601998512 1017907443 /nfs/dbraw/zinc/90/74/43/1017907443.db2.gz KRMDTJPHNDEFCU-UHFFFAOYSA-N -1 0 322.383 -0.999 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N[C@@H]1C(=O)NCC12CCOCC2 ZINC001601999608 1017907516 /nfs/dbraw/zinc/90/75/16/1017907516.db2.gz RHQYBXDRQMIQRD-SNVBAGLBSA-N -1 0 320.367 -0.934 20 0 DBADRM O=C([O-])CCN1CC[C@H](N(CCO)Cc2cccnc2)C1=O ZINC001602009539 1017910494 /nfs/dbraw/zinc/91/04/94/1017910494.db2.gz JGSWKZGKXAAXDD-ZDUSSCGKSA-N -1 0 307.350 -0.049 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CCC[C@H](N3CCNC3=O)C2)C1=O ZINC001602009531 1017910835 /nfs/dbraw/zinc/91/08/35/1017910835.db2.gz JCJHCHYWAUTXEO-NWDGAFQWSA-N -1 0 324.381 -0.448 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)C[C@H]1CC(=O)NC1=O ZINC001602005701 1017911270 /nfs/dbraw/zinc/91/12/70/1017911270.db2.gz IZTXWSDGNURFKH-NXEZZACHSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCN1CCC[C@H](N2CCN3C(=O)N=NC3C2)C1=O ZINC001602011765 1017911649 /nfs/dbraw/zinc/91/16/49/1017911649.db2.gz MZOAYKAATOTRBT-VIFPVBQESA-N -1 0 309.326 -0.735 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)CNC(C)=O ZINC001499011283 1017914312 /nfs/dbraw/zinc/91/43/12/1017914312.db2.gz GEPOMZRDYOHCGI-SECBINFHSA-N -1 0 311.342 -0.816 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CCO[C@]3(CCCOC3)C2)C1=O ZINC001602016757 1017914396 /nfs/dbraw/zinc/91/43/96/1017914396.db2.gz PVBCBXWTIYPJLU-IUODEOHRSA-N -1 0 312.366 -0.057 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)/C=C\Cn2cncn2)C1=O ZINC001602014973 1017914471 /nfs/dbraw/zinc/91/44/71/1017914471.db2.gz HWJPCGVZWVFJRA-SYBPUXJVSA-N -1 0 308.294 -0.547 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CCN3C(=O)OCC[C@H]3C2)C1=O ZINC001602014902 1017916577 /nfs/dbraw/zinc/91/65/77/1017916577.db2.gz GOKOOLNSGUMSMV-WDEREUQCSA-N -1 0 311.338 -0.412 20 0 DBADRM O=C([O-])CCN1CCC[C@H](OC(=O)[C@@]2(O)CCOC2)C1=O ZINC001602012381 1017916616 /nfs/dbraw/zinc/91/66/16/1017916616.db2.gz PKDSMPSTYRAKFZ-TVQRCGJNSA-N -1 0 301.295 -0.853 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CCN3C(=O)OCC[C@H]3C2)C1=O ZINC001602014901 1017917338 /nfs/dbraw/zinc/91/73/38/1017917338.db2.gz GOKOOLNSGUMSMV-QWRGUYRKSA-N -1 0 311.338 -0.412 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CCO[C@]3(CCCOC3)C2)C1=O ZINC001602016758 1017917466 /nfs/dbraw/zinc/91/74/66/1017917466.db2.gz PVBCBXWTIYPJLU-SWLSCSKDSA-N -1 0 312.366 -0.057 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCCNc1cnccn1 ZINC001602018588 1017918149 /nfs/dbraw/zinc/91/81/49/1017918149.db2.gz COTJHFHNUFKSBR-UHFFFAOYSA-N -1 0 324.341 -0.831 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)CN1CCCCCC1=O ZINC001602017714 1017918012 /nfs/dbraw/zinc/91/80/12/1017918012.db2.gz HBTOPEMSIHXWDF-UHFFFAOYSA-N -1 0 313.354 -0.514 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC[C@@](O)(C2CC2)C1 ZINC001602017635 1017918468 /nfs/dbraw/zinc/91/84/68/1017918468.db2.gz DEYPPOLDYFSTRH-AWEZNQCLSA-N -1 0 313.354 -0.476 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001602018126 1017918582 /nfs/dbraw/zinc/91/85/82/1017918582.db2.gz JQHWAUNJQWSDAY-UHFFFAOYSA-N -1 0 322.321 -0.230 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)COc1ccccc1O ZINC001602018389 1017918694 /nfs/dbraw/zinc/91/86/94/1017918694.db2.gz VKSMWZBJRCUBBF-UHFFFAOYSA-N -1 0 310.306 -0.132 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC[C@@H](O)C(F)(F)C1 ZINC001602017719 1017918867 /nfs/dbraw/zinc/91/88/67/1017918867.db2.gz HLROLYPRTDDZBJ-MRVPVSSYSA-N -1 0 323.296 -0.621 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCC[C@H](O)CC1 ZINC001602017744 1017919907 /nfs/dbraw/zinc/91/99/07/1017919907.db2.gz IFHILGYIVLXGNP-JTQLQIEISA-N -1 0 301.343 -0.476 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC001602022517 1017922057 /nfs/dbraw/zinc/92/20/57/1017922057.db2.gz ZLMXHQXLQXFYDA-RYUDHWBXSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCC(N2CCCNC2=O)CC1 ZINC001602022201 1017922792 /nfs/dbraw/zinc/92/27/92/1017922792.db2.gz QOAWFQHQVXXJAM-UHFFFAOYSA-N -1 0 312.370 -0.543 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)Cn1ccc(C(F)F)n1 ZINC001602022402 1017923465 /nfs/dbraw/zinc/92/34/65/1017923465.db2.gz ZGHOFSMLCDIEMI-UHFFFAOYSA-N -1 0 305.237 -0.045 20 0 DBADRM O=C([O-])CCNC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 ZINC001602023204 1017923716 /nfs/dbraw/zinc/92/37/16/1017923716.db2.gz IRABFVYIXMADJT-NSHDSACASA-N -1 0 312.297 -0.564 20 0 DBADRM O=C([O-])CCNC(=O)c1ccc(NC(=O)NOCCO)cc1 ZINC001602024122 1017924104 /nfs/dbraw/zinc/92/41/04/1017924104.db2.gz QFDQGJYSOXDLBN-UHFFFAOYSA-N -1 0 311.294 -0.064 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCN(c2ncccc2F)CC1 ZINC001602022332 1017924564 /nfs/dbraw/zinc/92/45/64/1017924564.db2.gz URJGHEZCCZBRPH-UHFFFAOYSA-N -1 0 310.329 -0.066 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCOC[C@H]1C[C@@H]1CCCO1 ZINC001602022527 1017924654 /nfs/dbraw/zinc/92/46/54/1017924654.db2.gz ZXZJCDMMKZYZNS-NEPJUHHUSA-N -1 0 300.355 -0.153 20 0 DBADRM O=C([O-])CCNC(=O)CSc1nnnn1C[C@H]1CCCO1 ZINC001602022629 1017925049 /nfs/dbraw/zinc/92/50/49/1017925049.db2.gz JLEINPRVCUKKQZ-MRVPVSSYSA-N -1 0 315.355 -0.465 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCCn2cnccc2=O)O1 ZINC001602035744 1017926939 /nfs/dbraw/zinc/92/69/39/1017926939.db2.gz YSUPJFJCTSDXMR-WDEREUQCSA-N -1 0 309.322 -0.228 20 0 DBADRM O=C([O-])CN(C(=O)C1=C2CCCN=C2NN1)C1CCOCC1 ZINC001602052674 1017927878 /nfs/dbraw/zinc/92/78/78/1017927878.db2.gz MIUVUXCTDASCNQ-UHFFFAOYSA-N -1 0 308.338 -0.367 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3nnnn3CC2)O1 ZINC001602036564 1017928465 /nfs/dbraw/zinc/92/84/65/1017928465.db2.gz CUORMZZDCVWSBR-OUAUKWLOSA-N -1 0 323.353 -0.093 20 0 DBADRM O=C([O-])CN(C1CC1)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001602053921 1017931856 /nfs/dbraw/zinc/93/18/56/1017931856.db2.gz SUGRATOUZYQAAK-SNVBAGLBSA-N -1 0 302.352 -0.372 20 0 DBADRM O=C([O-])CN(C1CCCCC1)S(=O)(=O)[C@@H]1COC[C@H]1O ZINC001602054014 1017932777 /nfs/dbraw/zinc/93/27/77/1017932777.db2.gz ZLPXCHKCFALEAZ-GHMZBOCLSA-N -1 0 307.368 -0.205 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@H](O)c1ccccn1 ZINC001602054856 1017933593 /nfs/dbraw/zinc/93/35/93/1017933593.db2.gz HZXFTNAJIDCNFO-AWEZNQCLSA-N -1 0 323.349 -0.640 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(CO)nc1 ZINC001602064753 1017935252 /nfs/dbraw/zinc/93/52/52/1017935252.db2.gz AXFRDCLRIMQXHH-NSHDSACASA-N -1 0 307.306 -0.621 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)CCc1ncccn1 ZINC001602065441 1017936294 /nfs/dbraw/zinc/93/62/94/1017936294.db2.gz HIOZKYCDQHGQAB-SNVBAGLBSA-N -1 0 306.322 -0.399 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1cncc(O)c1 ZINC001602064265 1017937430 /nfs/dbraw/zinc/93/74/30/1017937430.db2.gz NFEVAUSJFRCSCB-PCAWENJQSA-N -1 0 319.317 -0.008 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001602069405 1017939504 /nfs/dbraw/zinc/93/95/04/1017939504.db2.gz DZQJLBXNNYUYKO-ZIAGYGMSSA-N -1 0 322.317 -0.540 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1cnc2c[nH]nc2c1 ZINC001602067611 1017941048 /nfs/dbraw/zinc/94/10/48/1017941048.db2.gz VQSUDCULZXJZSL-LLVKDONJSA-N -1 0 317.305 -0.237 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)Cn1cnc2ccccc2c1=O ZINC001602070260 1017943292 /nfs/dbraw/zinc/94/32/92/1017943292.db2.gz FTCHRRIWUMQZNI-UHFFFAOYSA-N -1 0 319.273 -0.860 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC001602069738 1017943409 /nfs/dbraw/zinc/94/34/09/1017943409.db2.gz AJHUXCJCRJQWNW-UHFFFAOYSA-N -1 0 320.280 -0.058 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(N2C(=O)N[C@@H](CF)C2=O)cc1 ZINC001602071637 1017943976 /nfs/dbraw/zinc/94/39/76/1017943976.db2.gz UHVFSVJQYIBSBX-JTQLQIEISA-N -1 0 323.280 -0.176 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(OC(F)F)nc1 ZINC001602069876 1017944455 /nfs/dbraw/zinc/94/44/55/1017944455.db2.gz KIJSLLOJIZDFFY-UHFFFAOYSA-N -1 0 303.221 -0.386 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(C(F)F)o1 ZINC001602071052 1017944602 /nfs/dbraw/zinc/94/46/02/1017944602.db2.gz WYBUZFSAXHVPOR-UHFFFAOYSA-N -1 0 312.250 -0.304 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(-n2ccnn2)cc1 ZINC001602070157 1017944888 /nfs/dbraw/zinc/94/48/88/1017944888.db2.gz WMHZNKBDVNPTOW-UHFFFAOYSA-N -1 0 303.278 -0.802 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC001602069576 1017945852 /nfs/dbraw/zinc/94/58/52/1017945852.db2.gz PGAOZXJSNGWYIN-UHFFFAOYSA-N -1 0 320.305 -0.254 20 0 DBADRM O=C([O-])COC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC001602076432 1017947063 /nfs/dbraw/zinc/94/70/63/1017947063.db2.gz KEVZQUIPGYBSPV-UHFFFAOYSA-N -1 0 306.282 -0.637 20 0 DBADRM O=C([O-])COCCNC(=O)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC001602078884 1017948418 /nfs/dbraw/zinc/94/84/18/1017948418.db2.gz MWRARVORXAREOI-IJLUTSLNSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])COCC(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 ZINC001602076664 1017948582 /nfs/dbraw/zinc/94/85/82/1017948582.db2.gz CFNHNCVLMKDTJX-SNVBAGLBSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])COCC(=O)NCC1(N2CCOCC2)CCOCC1 ZINC001602077207 1017949298 /nfs/dbraw/zinc/94/92/98/1017949298.db2.gz UIPBBSDWHWBBKY-UHFFFAOYSA-N -1 0 316.354 -0.915 20 0 DBADRM O=C([O-])COCC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001602076828 1017950121 /nfs/dbraw/zinc/95/01/21/1017950121.db2.gz WCEUVKYALVLQIP-UHFFFAOYSA-N -1 0 323.305 -0.827 20 0 DBADRM O=C([O-])COCC(=O)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC001602077903 1017950600 /nfs/dbraw/zinc/95/06/00/1017950600.db2.gz YOLSUJXYZQGHEK-SNVBAGLBSA-N -1 0 301.295 -0.732 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC2(CC1)C[C@@H](O)CCO2 ZINC001602078560 1017950634 /nfs/dbraw/zinc/95/06/34/1017950634.db2.gz BSPWYPUPDRGHRN-NSHDSACASA-N -1 0 316.354 -0.197 20 0 DBADRM O=C([O-])CSCCC(=O)NCCCn1cc(CO)nn1 ZINC001602098074 1017951995 /nfs/dbraw/zinc/95/19/95/1017951995.db2.gz KYZGAUDPWSAKCZ-UHFFFAOYSA-N -1 0 302.356 -0.515 20 0 DBADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001602107744 1017955188 /nfs/dbraw/zinc/95/51/88/1017955188.db2.gz GWLRDUGMFYXBEB-AEJSXWLSSA-N -1 0 324.337 -0.425 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)NC[C@@H](O)Cn2ccnn2)C1 ZINC001602110922 1017955244 /nfs/dbraw/zinc/95/52/44/1017955244.db2.gz SPPJVECXUWWAGR-OUAUKWLOSA-N -1 0 311.342 -0.418 20 0 DBADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)NCCN1C(=O)CNC1=O ZINC001602117848 1017955274 /nfs/dbraw/zinc/95/52/74/1017955274.db2.gz AUAJQCLVTLOCQR-DTWKUNHWSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])CSCCNC(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001602100383 1017956141 /nfs/dbraw/zinc/95/61/41/1017956141.db2.gz PQCKZJWROYYJNF-BDAKNGLRSA-N -1 0 317.367 -0.056 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)N2CC[C@@H](O)[C@H](CO)C2)n1 ZINC001602136106 1017956329 /nfs/dbraw/zinc/95/63/29/1017956329.db2.gz LBUGXCUATGROSG-GXSJLCMTSA-N -1 0 309.322 -0.084 20 0 DBADRM O=C([O-])CSCCNC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001602100246 1017956601 /nfs/dbraw/zinc/95/66/01/1017956601.db2.gz BHCPGLPMCXPIBJ-UHFFFAOYSA-N -1 0 308.323 -0.191 20 0 DBADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001602106942 1017956914 /nfs/dbraw/zinc/95/69/14/1017956914.db2.gz DLGWBZXPYRCJDK-VHSXEESVSA-N -1 0 309.322 -0.314 20 0 DBADRM O=C([O-])Cc1cccc(C(=O)N2CC(=O)NCC23COC3)c1 ZINC001602133227 1017956991 /nfs/dbraw/zinc/95/69/91/1017956991.db2.gz UVLVINPOZXWHON-UHFFFAOYSA-N -1 0 304.302 -0.345 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)CN2CCCS2(=O)=O)n1 ZINC001602136084 1017957348 /nfs/dbraw/zinc/95/73/48/1017957348.db2.gz YWLBBZFEESTRBW-UHFFFAOYSA-N -1 0 313.335 -0.317 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)NC[C@H]2COCCO2)cc1 ZINC001602122705 1017957504 /nfs/dbraw/zinc/95/75/04/1017957504.db2.gz XXKKFQWPULARAN-LBPRGKRZSA-N -1 0 322.317 -0.216 20 0 DBADRM O=C([O-])CSCCC(=O)N[C@H](CO)CN1CCOCC1 ZINC001602100679 1017957665 /nfs/dbraw/zinc/95/76/65/1017957665.db2.gz FVGDVZVPGOFSQP-JTQLQIEISA-N -1 0 306.384 -0.996 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)N2CC3(C2)NC(=O)NC3=O)C1 ZINC001602110188 1017958287 /nfs/dbraw/zinc/95/82/87/1017958287.db2.gz WSFXFEHNSMBRTM-SFYZADRCSA-N -1 0 310.310 -0.767 20 0 DBADRM O=C([O-])Cc1ccc(CNC(=O)Cn2ccc(=O)[nH]c2=O)cc1 ZINC001602118776 1017958432 /nfs/dbraw/zinc/95/84/32/1017958432.db2.gz GHLLGNSHFYERRE-UHFFFAOYSA-N -1 0 317.301 -0.108 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)N1C[C@@H](O)C[C@H]1CO ZINC001602146228 1017959509 /nfs/dbraw/zinc/95/95/09/1017959509.db2.gz XFFWVVBRVRETKB-STQMWFEESA-N -1 0 308.334 -0.049 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CCOC1 ZINC001602143069 1017960173 /nfs/dbraw/zinc/96/01/73/1017960173.db2.gz KNUKJVZSRISETF-GFCCVEGCSA-N -1 0 306.318 -0.165 20 0 DBADRM O=C([O-])Cc1ccccc1CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001602144332 1017960372 /nfs/dbraw/zinc/96/03/72/1017960372.db2.gz PLQSBFXIYUOCIL-CYBMUJFWSA-N -1 0 317.345 -0.544 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)C(=O)N1CC=C[C@@H]1CO ZINC001602142801 1017961604 /nfs/dbraw/zinc/96/16/04/1017961604.db2.gz IKOALBBILNSPKG-CYBMUJFWSA-N -1 0 318.329 -0.311 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001602144599 1017962327 /nfs/dbraw/zinc/96/23/27/1017962327.db2.gz GOKNGJAGNBJSDE-NSHDSACASA-N -1 0 319.317 -0.082 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)C[C@@H]2CCCS2(=O)=O)n[nH]1 ZINC001602154340 1017962517 /nfs/dbraw/zinc/96/25/17/1017962517.db2.gz KZBMHWFJWFSLQV-LURJTMIESA-N -1 0 302.312 -0.662 20 0 DBADRM O=C([O-])Cn1cc(CN2CCC[C@H](N3CCCC3=O)C2)nn1 ZINC001602163150 1017962946 /nfs/dbraw/zinc/96/29/46/1017962946.db2.gz YMHMMDBIOVVNKU-LBPRGKRZSA-N -1 0 307.354 -0.051 20 0 DBADRM O=C([O-])Cn1cc(CCn2cnc3ncccc3c2=O)nn1 ZINC001602161404 1017963357 /nfs/dbraw/zinc/96/33/57/1017963357.db2.gz ZHTHUECLNPVELA-UHFFFAOYSA-N -1 0 300.278 -0.290 20 0 DBADRM O=C([O-])Cn1cc(CN2CCNC(=O)CC23CCOCC3)nn1 ZINC001602162882 1017963800 /nfs/dbraw/zinc/96/38/00/1017963800.db2.gz MUMLLRQTGWAFFL-UHFFFAOYSA-N -1 0 323.353 -0.766 20 0 DBADRM O=C([O-])Cn1cc(CCCOC(=O)[C@@H]2CCNC(=O)C2)nn1 ZINC001602159591 1017965218 /nfs/dbraw/zinc/96/52/18/1017965218.db2.gz QRKUMGLBOSWBMP-SECBINFHSA-N -1 0 310.310 -0.635 20 0 DBADRM O=C([O-])Cn1cc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)nn1 ZINC001602162792 1017965417 /nfs/dbraw/zinc/96/54/17/1017965417.db2.gz JDOXBWLEVBZNGZ-IONNQARKSA-N -1 0 308.260 -0.035 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC3(C2)CCCOC3)cn1 ZINC001602163245 1017966200 /nfs/dbraw/zinc/96/62/00/1017966200.db2.gz CSHBDAOCJUEWHW-UHFFFAOYSA-N -1 0 315.351 -0.231 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)Cn2cc(C3CC3)nn2)nn1 ZINC001602160761 1017966508 /nfs/dbraw/zinc/96/65/08/1017966508.db2.gz QTAIEXUVDOFDAS-UHFFFAOYSA-N -1 0 320.309 -0.383 20 0 DBADRM O=C([O-])Cn1cc(CN2CCOC[C@H]2[C@H]2CCCC2=O)nn1 ZINC001602162921 1017966678 /nfs/dbraw/zinc/96/66/78/1017966678.db2.gz OOLOORLDEYUHFO-NEPJUHHUSA-N -1 0 308.338 -0.067 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCN3C(=O)CC[C@H]3C2)n1 ZINC001602165568 1017968217 /nfs/dbraw/zinc/96/82/17/1017968217.db2.gz ZFJZIWXYJRORBS-VIFPVBQESA-N -1 0 307.310 -0.194 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCO[C@@H](CCF)C2)cn1 ZINC001602163581 1017968530 /nfs/dbraw/zinc/96/85/30/1017968530.db2.gz RBDKLCQMRMRSKD-VIFPVBQESA-N -1 0 321.330 -0.283 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001602168735 1017968844 /nfs/dbraw/zinc/96/88/44/1017968844.db2.gz AHLKXPMFOCWOMN-HBNTYKKESA-N -1 0 303.334 -0.350 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CC(CNC(=O)C(F)(F)F)C1 ZINC001602170106 1017970564 /nfs/dbraw/zinc/97/05/64/1017970564.db2.gz VZACQVSKOUJVID-LURJTMIESA-N -1 0 315.223 -0.271 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1c1ccccc1 ZINC001602182187 1017972295 /nfs/dbraw/zinc/97/22/95/1017972295.db2.gz XVSHQEWXMMWXRO-VXGBXAGGSA-N -1 0 301.306 0.000 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CC[C@H](C(=O)N3CCCC3)C2)C(=O)O1 ZINC001602188607 1017972574 /nfs/dbraw/zinc/97/25/74/1017972574.db2.gz PDDHVUNKZPCKRJ-QWRGUYRKSA-N -1 0 311.338 -0.206 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001602194999 1017973036 /nfs/dbraw/zinc/97/30/36/1017973036.db2.gz UQJCAXBKMSHLEA-CHWFTXMASA-N -1 0 316.379 -0.217 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CN1C(=O)c2ccccc2C1=O ZINC001602190846 1017973075 /nfs/dbraw/zinc/97/30/75/1017973075.db2.gz LJIQPHVQBOVUIV-KCJUWKMLSA-N -1 0 318.285 -0.671 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001602193408 1017973137 /nfs/dbraw/zinc/97/31/37/1017973137.db2.gz CCELVMXUMFGCLF-DOLQZWNJSA-N -1 0 302.352 -0.607 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001602194637 1017973317 /nfs/dbraw/zinc/97/33/17/1017973317.db2.gz FHIQSCZJSZHGFT-ADEWGFFLSA-N -1 0 323.353 -0.162 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2[nH]c(CO)nc2c1 ZINC001602190943 1017973646 /nfs/dbraw/zinc/97/36/46/1017973646.db2.gz RYAKUYKWUMXBPR-KCJUWKMLSA-N -1 0 305.290 -0.285 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCOCC3(CCOCC3)C2)C(=O)O1 ZINC001602187995 1017973691 /nfs/dbraw/zinc/97/36/91/1017973691.db2.gz CPTVBICGRXMIJG-NSHDSACASA-N -1 0 314.338 -0.022 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)NC[C@H]3CCCS(=O)(=O)C3)C[C@@H]21 ZINC001602204723 1017975420 /nfs/dbraw/zinc/97/54/20/1017975420.db2.gz KIHVSDLUGCJLCG-ZNSHCXBVSA-N -1 0 316.379 -0.217 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)C[C@@H]21 ZINC001602206813 1017975615 /nfs/dbraw/zinc/97/56/15/1017975615.db2.gz VEGSCEKYVQZHLV-IIEKFROSSA-N -1 0 318.333 -0.795 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1nccs1 ZINC001602199754 1017975712 /nfs/dbraw/zinc/97/57/12/1017975712.db2.gz QYEUKUKZDHRJEQ-BQBZGAKWSA-N -1 0 324.318 -0.637 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(c3nnnn3CCOC(F)(F)F)C[C@@H]21 ZINC001602205284 1017976420 /nfs/dbraw/zinc/97/64/20/1017976420.db2.gz MASFONMLQHLEHS-ZMONIFLSSA-N -1 0 307.232 -0.024 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)C1=CCCCO1 ZINC001602197544 1017977602 /nfs/dbraw/zinc/97/76/02/1017977602.db2.gz KBFOKGHPUFVDLN-IUCAKERBSA-N -1 0 323.305 -0.713 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N(CCOC[C@H]2CCCO2)C1=O ZINC001602198410 1017977861 /nfs/dbraw/zinc/97/78/61/1017977861.db2.gz IYULAOWCWRAABH-DBIOUOCHSA-N -1 0 312.322 -0.177 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N([C@@H]2CCN(CC(F)F)C2)C1=O ZINC001602199607 1017977976 /nfs/dbraw/zinc/97/79/76/1017977976.db2.gz HZZSLFDMOQNRDF-DQUBFYRCSA-N -1 0 317.292 -0.033 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N(CC[NH+]2CCSCC2)C1=O ZINC001602198799 1017978041 /nfs/dbraw/zinc/97/80/41/1017978041.db2.gz TVHMOYLTSSCCDX-BBBLOLIVSA-N -1 0 313.379 -0.324 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CCCn2nncc2C1 ZINC001602201464 1017978103 /nfs/dbraw/zinc/97/81/03/1017978103.db2.gz LXWJTUCAVLPGPZ-MWLCHTKSSA-N -1 0 309.326 -0.317 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)[C@H]1CC12CC2 ZINC001602197695 1017978167 /nfs/dbraw/zinc/97/81/67/1017978167.db2.gz MKYRTRULZKUGGI-YIZRAAEISA-N -1 0 307.306 -0.608 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNS(=O)(=O)CC[C@H]1CCCO1 ZINC001602200881 1017978183 /nfs/dbraw/zinc/97/81/83/1017978183.db2.gz DFYVXUMTTYADIK-GMTAPVOTSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])[C@]12CN(Cn3nnn(C4CC4)c3=O)C[C@H]1COCC2 ZINC001602208312 1017978991 /nfs/dbraw/zinc/97/89/91/1017978991.db2.gz LPTDEBZZHQRKSX-TVQRCGJNSA-N -1 0 309.326 -0.845 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)C1(C(=O)NC2CC2)CC1 ZINC001602208738 1017979345 /nfs/dbraw/zinc/97/93/45/1017979345.db2.gz SLVFUZBETXIYPQ-JTQLQIEISA-N -1 0 306.322 -0.420 20 0 DBADRM O=C([O-])c1c(F)cccc1S(=O)(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC001602230442 1017981474 /nfs/dbraw/zinc/98/14/74/1017981474.db2.gz TYUSXMMVWWOTEB-IONNQARKSA-N -1 0 319.310 -0.502 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)on1 ZINC001602247362 1017982170 /nfs/dbraw/zinc/98/21/70/1017982170.db2.gz ZWVYBOPAWLFAMP-ZETCQYMHSA-N -1 0 319.277 -0.123 20 0 DBADRM O=C([O-])c1c(NC(=O)[C@@H]2C[C@@]23CCOC3)[nH]nc1OCCO ZINC001602231897 1017983344 /nfs/dbraw/zinc/98/33/44/1017983344.db2.gz CBDJGSVJYJFCNA-WPPNPWJKSA-N -1 0 311.294 -0.156 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCc3nc[nH]c(=O)c3C2)c[nH]1 ZINC001602292316 1017984201 /nfs/dbraw/zinc/98/42/01/1017984201.db2.gz FCMMFHNMQXURIP-UHFFFAOYSA-N -1 0 324.318 -0.045 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCO[C@@]3(CCOC3)C2)on1 ZINC001602291400 1017984845 /nfs/dbraw/zinc/98/48/45/1017984845.db2.gz NFPDWZUYRZKWDE-NSHDSACASA-N -1 0 318.307 -0.447 20 0 DBADRM O=C([O-])c1cc(F)ccc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 ZINC001602276081 1017984871 /nfs/dbraw/zinc/98/48/71/1017984871.db2.gz QTDKFHSYKJLWTJ-IUCAKERBSA-N -1 0 305.283 -0.750 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@H](n3cccn3)C2)n[nH]1 ZINC001602289573 1017985521 /nfs/dbraw/zinc/98/55/21/1017985521.db2.gz MBAPPEMMFDNCMW-QMMMGPOBSA-N -1 0 311.323 -0.060 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@@H](O)C(F)(F)C2)on1 ZINC001602289569 1017986171 /nfs/dbraw/zinc/98/61/71/1017986171.db2.gz LTACLWLMAPXRCJ-ZCFIWIBFSA-N -1 0 312.250 -0.237 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H](CO)C2CCOCC2)n[nH]1 ZINC001602294612 1017986220 /nfs/dbraw/zinc/98/62/20/1017986220.db2.gz ZTAYMAGMBGZNFK-SECBINFHSA-N -1 0 319.339 -0.826 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC2CC3(C2)OCCO3)n[nH]1 ZINC001602296515 1017988609 /nfs/dbraw/zinc/98/86/09/1017988609.db2.gz YXTIWCOIPQIJDL-UHFFFAOYSA-N -1 0 317.323 -0.461 20 0 DBADRM O=C([O-])c1ccc(C(=O)COC(=O)C2(n3cnnn3)CC2)o1 ZINC001602316441 1017988991 /nfs/dbraw/zinc/98/89/91/1017988991.db2.gz PQAHVFGLWABIAQ-UHFFFAOYSA-N -1 0 306.234 -0.121 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCO[C@H]2CCOC2)c[nH]1 ZINC001602295878 1017989593 /nfs/dbraw/zinc/98/95/93/1017989593.db2.gz BNKJSKUCXAYPRE-QMMMGPOBSA-N -1 0 304.324 -0.203 20 0 DBADRM O=C([O-])c1ccc(CN2CCS(=O)(=O)C[C@H]2CCO)o1 ZINC001602340894 1017991618 /nfs/dbraw/zinc/99/16/18/1017991618.db2.gz WNWRSQIAXIFSFL-SECBINFHSA-N -1 0 303.336 -0.041 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCCNC2=O)cn1 ZINC001602397391 1017993856 /nfs/dbraw/zinc/99/38/56/1017993856.db2.gz YIWSIMZPHQRUAF-SECBINFHSA-N -1 0 313.335 -0.273 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)o1 ZINC001602394963 1017996025 /nfs/dbraw/zinc/99/60/25/1017996025.db2.gz NUBYIBLEUFOMIY-SECBINFHSA-N -1 0 316.335 -0.317 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)NCC1(CO)COC1 ZINC001602474615 1017999740 /nfs/dbraw/zinc/99/97/40/1017999740.db2.gz WQHZNGHJPNLQFF-UHFFFAOYSA-N -1 0 301.320 -0.328 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCOC[C@]23CCOC3)c1=O ZINC001602475431 1018000477 /nfs/dbraw/zinc/00/04/77/1018000477.db2.gz IERYHKTXSKFQSS-OAHLLOKOSA-N -1 0 322.317 -0.436 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CC[C@](O)(C(F)F)C2)c1=O ZINC001602474854 1018000752 /nfs/dbraw/zinc/00/07/52/1018000752.db2.gz COYQAMQATOSDCA-CYBMUJFWSA-N -1 0 316.260 -0.225 20 0 DBADRM O=C([O-])c1ccccc1CS(=O)(=O)NCC1(CO)COC1 ZINC001602469913 1018000931 /nfs/dbraw/zinc/00/09/31/1018000931.db2.gz PVAJYEAQQMUFPW-UHFFFAOYSA-N -1 0 315.347 -0.187 20 0 DBADRM O=C([O-])c1ccnc(N2CCN(S(=O)(=O)C3CC3)CC2)n1 ZINC001602479879 1018003389 /nfs/dbraw/zinc/00/33/89/1018003389.db2.gz WQCXQCGZEBNTHQ-UHFFFAOYSA-N -1 0 312.351 -0.211 20 0 DBADRM O=C([O-])c1ccnc(N2CCC3(CC2)C[C@@H](O)CNC3=O)n1 ZINC001602479990 1018003424 /nfs/dbraw/zinc/00/34/24/1018003424.db2.gz BYWTVCBTSCHCOE-SECBINFHSA-N -1 0 306.322 -0.358 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N2CC3(C2)C[C@H](O)CNC3=O)c1 ZINC001602478122 1018003505 /nfs/dbraw/zinc/00/35/05/1018003505.db2.gz QOTGSALWZXTCON-VIFPVBQESA-N -1 0 305.290 -0.897 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)C3(N4CCOCC4)CC3)C2)nn1 ZINC001602500878 1018004378 /nfs/dbraw/zinc/00/43/78/1018004378.db2.gz UXJBXDHLAARDPI-UHFFFAOYSA-N -1 0 321.337 -0.776 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)nn1 ZINC001602501538 1018004864 /nfs/dbraw/zinc/00/48/64/1018004864.db2.gz OJNCITSZKLYOFD-SNVBAGLBSA-N -1 0 321.337 -0.553 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C[C@@H]3CCCS3(=O)=O)C2)nn1 ZINC001602498256 1018005031 /nfs/dbraw/zinc/00/50/31/1018005031.db2.gz KRSBMMXVRBOOBZ-UWVGGRQHSA-N -1 0 314.367 -0.200 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@H](O)C3CCOCC3)C2)nn1 ZINC001602500352 1018005803 /nfs/dbraw/zinc/00/58/03/1018005803.db2.gz AYGXNIVJAABYGK-LLVKDONJSA-N -1 0 310.310 -0.853 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)c3cc(=O)cc[nH]3)C2)nn1 ZINC001602497073 1018006100 /nfs/dbraw/zinc/00/61/00/1018006100.db2.gz JZURRQVMWYZGBG-QMMMGPOBSA-N -1 0 303.278 -0.248 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)CN3CCOCC3)C2)nn1 ZINC001602492765 1018006177 /nfs/dbraw/zinc/00/61/77/1018006177.db2.gz KGDCQQHJPPBERP-JTQLQIEISA-N -1 0 309.326 -0.918 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)[C@]3(O)CCOC3)C2)nn1 ZINC001602494539 1018006636 /nfs/dbraw/zinc/00/66/36/1018006636.db2.gz JNXQFKBMTOBOMY-ZANVPECISA-N -1 0 310.310 -0.709 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(CC(=O)N3CCNC3=O)C2)nn1 ZINC001602495160 1018006376 /nfs/dbraw/zinc/00/63/76/1018006376.db2.gz OIBHHIKRCYIYQZ-VIFPVBQESA-N -1 0 322.325 -0.835 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC(Oc3nccs3)C2)nn1 ZINC001602501501 1018006744 /nfs/dbraw/zinc/00/67/44/1018006744.db2.gz MDPAETBCHDYPLS-UHFFFAOYSA-N -1 0 309.307 -0.277 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCOc3ncccc3C2)nn1 ZINC001602503936 1018007797 /nfs/dbraw/zinc/00/77/97/1018007797.db2.gz AHUWRNOZSLUHKC-UHFFFAOYSA-N -1 0 303.278 -0.208 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCO[C@H](C(F)F)CC2)nn1 ZINC001602504238 1018007812 /nfs/dbraw/zinc/00/78/12/1018007812.db2.gz LPMGHJIWKZWEDB-QMMMGPOBSA-N -1 0 304.253 -0.141 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@H]2CCc3cncn3C2)nn1 ZINC001602503715 1018007885 /nfs/dbraw/zinc/00/78/85/1018007885.db2.gz RBMMYUXPZBGJAE-VIFPVBQESA-N -1 0 304.310 -0.448 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@@H](N3CCC3)[C@H](F)C2)nn1 ZINC001602502502 1018007959 /nfs/dbraw/zinc/00/79/59/1018007959.db2.gz DFIWJSWKPAKSCR-MWLCHTKSSA-N -1 0 311.317 -0.379 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@@]3(CO)CCC[C@@H]23)nn1 ZINC001602503727 1018008010 /nfs/dbraw/zinc/00/80/10/1018008010.db2.gz RRSICAHINJKDPB-BXUZGUMPSA-N -1 0 323.353 -0.077 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@@H]2CCCC23OCCO3)nn1 ZINC001602503933 1018008438 /nfs/dbraw/zinc/00/84/38/1018008438.db2.gz AGDKFIAZXPKJAG-VIFPVBQESA-N -1 0 310.310 -0.364 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CC(O)(c2ccccc2)C1 ZINC001602506245 1018009594 /nfs/dbraw/zinc/00/95/94/1018009594.db2.gz MPXDJCWRUYLCQF-UHFFFAOYSA-N -1 0 323.330 0.000 20 0 DBADRM O=C([O-])c1cnc(CN2CCO[C@@H](Cn3ccnn3)C2)cn1 ZINC001602520784 1018009988 /nfs/dbraw/zinc/00/99/88/1018009988.db2.gz YTTRTAHCPQRBCG-LLVKDONJSA-N -1 0 304.310 -0.333 20 0 DBADRM O=C([O-])c1cnc(C(=O)O[C@H]2CCCS(=O)(=O)C2)cn1 ZINC001602508488 1018011740 /nfs/dbraw/zinc/01/17/40/1018011740.db2.gz MGCHAXZFHSBAQF-ZETCQYMHSA-N -1 0 300.292 -0.091 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@@H](CO)[C@@H]1CCCOC1 ZINC001602507721 1018011778 /nfs/dbraw/zinc/01/17/78/1018011778.db2.gz KJVSLSNYYJGPID-APPZFPTMSA-N -1 0 319.339 -0.826 20 0 DBADRM O=C([O-])c1cnc(C(=O)NC[C@@H]2COC3(CCOCC3)O2)cn1 ZINC001602508317 1018011974 /nfs/dbraw/zinc/01/19/74/1018011974.db2.gz ZCAOCEYXHXYFQC-SECBINFHSA-N -1 0 323.305 -0.173 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)[C@]23C[C@H]2COC3)nc1 ZINC001602529309 1018012515 /nfs/dbraw/zinc/01/25/15/1018012515.db2.gz DTRDWISMPWTGEH-RBZYPMLTSA-N -1 0 322.321 -0.900 20 0 DBADRM O=C([O-])c1cnc(N2CCC[C@@H]2CNC(=O)c2nnc[nH]2)nc1 ZINC001602526195 1018012628 /nfs/dbraw/zinc/01/26/28/1018012628.db2.gz BPLCKNKTIMZDOK-SECBINFHSA-N -1 0 317.309 -0.308 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)c2nccs2)nc1 ZINC001602529424 1018013041 /nfs/dbraw/zinc/01/30/41/1018013041.db2.gz KWRUFGSOEVIKJW-QMMMGPOBSA-N -1 0 323.334 -0.166 20 0 DBADRM O=C([O-])c1cnc(NCCCNC(=O)c2cn[nH]c(=O)c2)nc1 ZINC001602531621 1018013070 /nfs/dbraw/zinc/01/30/70/1018013070.db2.gz AFACJBCPPWLORA-UHFFFAOYSA-N -1 0 318.293 -0.098 20 0 DBADRM O=C([O-])c1cnc(N2CCCN(C(=O)c3cnon3)CC2)nc1 ZINC001602526595 1018014369 /nfs/dbraw/zinc/01/43/69/1018014369.db2.gz SYTUUKPUHMFGBT-UHFFFAOYSA-N -1 0 318.293 -0.090 20 0 DBADRM O=C([O-])c1cnc(N2CCO[C@]3(CCS(=O)(=O)C3)C2)nc1 ZINC001602527028 1018014388 /nfs/dbraw/zinc/01/43/88/1018014388.db2.gz IKQHSUIPWUQQTA-GFCCVEGCSA-N -1 0 313.335 -0.431 20 0 DBADRM O=C([O-])c1coc(C(=O)CN2C(=O)NC3(CC(O)C3)C2=O)c1 ZINC001602550090 1018015729 /nfs/dbraw/zinc/01/57/29/1018015729.db2.gz PCBDIDNNNZCURS-UHFFFAOYSA-N -1 0 308.246 -0.394 20 0 DBADRM O=C([O-])c1cncc(C(=O)N2CCO[C@H](Cn3ccnn3)C2)c1 ZINC001602536740 1018015946 /nfs/dbraw/zinc/01/59/46/1018015946.db2.gz HFFJPDQXPRRJDY-LBPRGKRZSA-N -1 0 317.305 -0.088 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCC(OCCCO)CC2)c1 ZINC001602544295 1018016664 /nfs/dbraw/zinc/01/66/64/1018016664.db2.gz KEHRSMDZLYAFQU-UHFFFAOYSA-N -1 0 311.338 -0.029 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N(CCO)Cc2cccnc2)c1 ZINC001602543954 1018016895 /nfs/dbraw/zinc/01/68/95/1018016895.db2.gz BVBTYNSPLBQRQG-UHFFFAOYSA-N -1 0 304.306 -0.003 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)c1 ZINC001602544892 1018016983 /nfs/dbraw/zinc/01/69/83/1018016983.db2.gz GWZICSWFZVNTKG-PWSUYJOCSA-N -1 0 322.321 -0.913 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2CCN3C(=O)CC[C@@H]3C2)c1 ZINC001602558186 1018017611 /nfs/dbraw/zinc/01/76/11/1018017611.db2.gz IFNUTMQOQQOOBY-SECBINFHSA-N -1 0 314.319 -0.027 20 0 DBADRM O=C([O-])c1nccc(N2CCS(=O)(=O)C[C@H]2CCO)n1 ZINC001602573237 1018018451 /nfs/dbraw/zinc/01/84/51/1018018451.db2.gz IDPNQXYGLVLUTR-MRVPVSSYSA-N -1 0 301.324 -0.839 20 0 DBADRM O=C([O-])c1nccc(NC/C=C\CNC(=O)[C@@H]2CCCO2)n1 ZINC001602573055 1018018631 /nfs/dbraw/zinc/01/86/31/1018018631.db2.gz FCXFCNLKCWVMNA-SYBPUXJVSA-N -1 0 306.322 -0.140 20 0 DBADRM O=C([O-])c1nc[nH]c1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001602571083 1018018784 /nfs/dbraw/zinc/01/87/84/1018018784.db2.gz PDXBDDGDQZXSEZ-ZJUUUORDSA-N -1 0 324.337 -0.074 20 0 DBADRM O=C([O-])c1nccc(N2CCN(CC(F)(F)CO)CC2)n1 ZINC001602572151 1018019228 /nfs/dbraw/zinc/01/92/28/1018019228.db2.gz RERQIZAQLCGRSB-UHFFFAOYSA-N -1 0 302.281 -0.076 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)[C@@H]2CC23CCC3)n1 ZINC001602575427 1018019783 /nfs/dbraw/zinc/01/97/83/1018019783.db2.gz XPYJLPADFLUGSU-UWVGGRQHSA-N -1 0 320.349 -0.324 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)[C@@]3(F)CCOC3)C2)n1 ZINC001602574608 1018019816 /nfs/dbraw/zinc/01/98/16/1018019816.db2.gz WIAYIDKVVDZPEV-YMTOWFKASA-N -1 0 324.312 -0.002 20 0 DBADRM O=C([O-])c1nccc(NC[C@H]2CCN(C(=O)[C@@H]3CCOC3)C2)n1 ZINC001602573798 1018020127 /nfs/dbraw/zinc/02/01/27/1018020127.db2.gz VIFLHLFMQJXMMY-GHMZBOCLSA-N -1 0 320.349 -0.106 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)[C@@H]2CC23CC3)n1 ZINC001602575313 1018020222 /nfs/dbraw/zinc/02/02/22/1018020222.db2.gz ZYUMCUWVEXFEPT-BDAKNGLRSA-N -1 0 306.322 -0.714 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](NC(=O)[C@@H]2CCOC2)C2CC2)n1 ZINC001602575491 1018020565 /nfs/dbraw/zinc/02/05/65/1018020565.db2.gz ZASFFLWWIRSNHG-GHMZBOCLSA-N -1 0 320.349 -0.060 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)[C@H]2CC23CC3)n1 ZINC001602575320 1018020802 /nfs/dbraw/zinc/02/08/02/1018020802.db2.gz ZYUMCUWVEXFEPT-RKDXNWHRSA-N -1 0 306.322 -0.714 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)c2cc(F)c[nH]2)n1 ZINC001602574943 1018021115 /nfs/dbraw/zinc/02/11/15/1018021115.db2.gz PKNSRSDXCLFYRV-QMMMGPOBSA-N -1 0 323.284 -0.733 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)[C@]3(F)CCOC3)C2)n1 ZINC001602574607 1018021351 /nfs/dbraw/zinc/02/13/51/1018021351.db2.gz WIAYIDKVVDZPEV-OTYXRUKQSA-N -1 0 324.312 -0.002 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)c3cn[nH]n3)C2)n1 ZINC001602574929 1018021420 /nfs/dbraw/zinc/02/14/20/1018021420.db2.gz PCXOBPODLZFEHP-ZETCQYMHSA-N -1 0 303.282 -0.959 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)Cn3ccnc3)C2)n1 ZINC001602574285 1018021429 /nfs/dbraw/zinc/02/14/29/1018021429.db2.gz GXEUQLMRGMPISZ-SNVBAGLBSA-N -1 0 316.321 -0.494 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NCc1nnc2n1CCC2 ZINC001602578290 1018021477 /nfs/dbraw/zinc/02/14/77/1018021477.db2.gz CDVPFQDGKGUONO-UHFFFAOYSA-N -1 0 323.334 -0.204 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)c2cccs2)n1 ZINC001602574337 1018021744 /nfs/dbraw/zinc/02/17/44/1018021744.db2.gz LVFHXTKTZGXCBD-QMMMGPOBSA-N -1 0 322.346 -0.139 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)c2ccc[nH]2)n1 ZINC001602575229 1018021811 /nfs/dbraw/zinc/02/18/11/1018021811.db2.gz XQZDNGVKDLAQMB-MRVPVSSYSA-N -1 0 305.294 -0.872 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CCOC[C@H]1CCO ZINC001602585787 1018022988 /nfs/dbraw/zinc/02/29/88/1018022988.db2.gz ZJCJMVARWDBCCO-SECBINFHSA-N -1 0 314.294 -0.501 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N[C@H]1CCCCNC1=O ZINC001602578842 1018023113 /nfs/dbraw/zinc/02/31/13/1018023113.db2.gz WATFZLKWLBIKFY-QMMMGPOBSA-N -1 0 313.335 -0.273 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1C[C@H](O)C2(CC2)C1 ZINC001602584280 1018023156 /nfs/dbraw/zinc/02/31/56/1018023156.db2.gz CSPSBCBUTAKFPR-LURJTMIESA-N -1 0 304.349 -0.013 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1CCSC[C@H]1CO ZINC001602587515 1018023396 /nfs/dbraw/zinc/02/33/96/1018023396.db2.gz WFTDEZAVVXYQPR-ZCFIWIBFSA-N -1 0 324.405 -0.060 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)NC1CC(CO)(CO)C1 ZINC001602599526 1018023758 /nfs/dbraw/zinc/02/37/58/1018023758.db2.gz YZLKAHXYFPLRLU-UHFFFAOYSA-N -1 0 321.376 -0.142 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cnc(C3OCCO3)s2)C1 ZINC001602628029 1018024707 /nfs/dbraw/zinc/02/47/07/1018024707.db2.gz ZJINZSUXFIFEEC-LBPRGKRZSA-N -1 0 314.319 -0.150 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2[nH]ncc2Br)C1 ZINC001602622566 1018024999 /nfs/dbraw/zinc/02/49/99/1018024999.db2.gz ZVDFBGHMPIYFAV-VIFPVBQESA-N -1 0 304.100 -0.166 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC001602622539 1018025403 /nfs/dbraw/zinc/02/54/03/1018025403.db2.gz XXKUSYUYYFKYGX-ORXSELOVSA-N -1 0 317.363 -0.610 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2cn(Cc3ccccc3)nn2)C1 ZINC001602627922 1018025654 /nfs/dbraw/zinc/02/56/54/1018025654.db2.gz QZLNODAZPGILIK-UHFFFAOYSA-N -1 0 302.290 -0.402 20 0 DBADRM O=C([O-])c1cn([C@@H]2COC[C@H]2OC(=O)C2=CCOCC2)nn1 ZINC001602618900 1018025708 /nfs/dbraw/zinc/02/57/08/1018025708.db2.gz JBOONKPLVSRVEW-GHMZBOCLSA-N -1 0 309.278 -0.194 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2ccc(N3CCOCC3)nc2)C1 ZINC001602625748 1018026154 /nfs/dbraw/zinc/02/61/54/1018026154.db2.gz FQUUNFRLVNDCMX-HNNXBMFYSA-N -1 0 321.333 -0.420 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2ccc(Cn3ccnn3)cc2)C1 ZINC001602625049 1018026276 /nfs/dbraw/zinc/02/62/76/1018026276.db2.gz QQELPUNXWBVMGI-OAHLLOKOSA-N -1 0 316.317 -0.012 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1[nH]cnc1C(=O)c1ccccc1 ZINC001602627112 1018026418 /nfs/dbraw/zinc/02/64/18/1018026418.db2.gz HFPSRHGLBPBQKI-VIFPVBQESA-N -1 0 303.274 -0.184 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cccnc2-n2cccn2)C1 ZINC001602628692 1018026548 /nfs/dbraw/zinc/02/65/48/1018026548.db2.gz MFTIIZLBUSJLSN-CQSZACIVSA-N -1 0 302.290 -0.071 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1CNC(=O)C1 ZINC001602636504 1018026873 /nfs/dbraw/zinc/02/68/73/1018026873.db2.gz GRWXTBFUNOGLNY-IUCAKERBSA-N -1 0 321.337 -0.149 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCNC(=O)CC23CCC3)CC1 ZINC001602635435 1018027238 /nfs/dbraw/zinc/02/72/38/1018027238.db2.gz OZVRWHFJZTZGDM-UHFFFAOYSA-N -1 0 316.379 -0.074 20 0 DBADRM O=C([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CNC(=O)C1 ZINC001602635801 1018027436 /nfs/dbraw/zinc/02/74/36/1018027436.db2.gz LNOZELZRXWXCSV-LURJTMIESA-N -1 0 302.283 -0.309 20 0 DBADRM O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001602634159 1018027717 /nfs/dbraw/zinc/02/77/17/1018027717.db2.gz VRGQQPXZWMKWCD-GXSJLCMTSA-N -1 0 322.292 -0.010 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@@H]1CNC(=O)C1 ZINC001602636434 1018028421 /nfs/dbraw/zinc/02/84/21/1018028421.db2.gz DYJKXHUBABTWNE-IVZWLZJFSA-N -1 0 304.368 -0.315 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)nn1 ZINC001602642811 1018029347 /nfs/dbraw/zinc/02/93/47/1018029347.db2.gz NYNRWINSVZCXTC-DTWKUNHWSA-N -1 0 307.310 -0.724 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)[C@H]2CCNC(=O)CC2)n1 ZINC001602638754 1018029394 /nfs/dbraw/zinc/02/93/94/1018029394.db2.gz VBWDRBFIGFDLDJ-SECBINFHSA-N -1 0 321.337 -0.959 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](S(=O)(=O)N2CC[C@@]3(CNC(=O)C3)C2)C1 ZINC001602640130 1018029437 /nfs/dbraw/zinc/02/94/37/1018029437.db2.gz VEWLQHBHXVQIPB-VDDIYKPWSA-N -1 0 302.352 -0.609 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CNC(=O)C2)oc1Cl ZINC001602637436 1018029653 /nfs/dbraw/zinc/02/96/53/1018029653.db2.gz ZLDVCMNIZPUTFL-SCSAIBSYSA-N -1 0 308.699 -0.202 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(C(=O)[C@@H]1CCC(=O)NC1)CC2 ZINC001602641432 1018029811 /nfs/dbraw/zinc/02/98/11/1018029811.db2.gz AQVIVPYEOUOGMZ-SECBINFHSA-N -1 0 309.322 -0.265 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)[C@H]3CCCC(=O)N3)C2)nn1 ZINC001602645355 1018032116 /nfs/dbraw/zinc/03/21/16/1018032116.db2.gz CSAVBGHUIZFQAY-VHSXEESVSA-N -1 0 321.337 -0.192 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CSCC(=O)N1)[C@H]1CCOC1 ZINC001602654104 1018033847 /nfs/dbraw/zinc/03/38/47/1018033847.db2.gz TYSGPTJVPQCQSW-CIUDSAMLSA-N -1 0 302.352 -0.929 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001602652048 1018034091 /nfs/dbraw/zinc/03/40/91/1018034091.db2.gz YMOOYRZVIAYGFC-QMMMGPOBSA-N -1 0 314.681 -0.154 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CSCC(=O)N1)C1CCOCC1 ZINC001602653575 1018034137 /nfs/dbraw/zinc/03/41/37/1018034137.db2.gz KBVXBPFPEBYHGV-WPRPVWTQSA-N -1 0 302.352 -0.786 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCCN2C(=O)CSC2=O)CCC1 ZINC001602652577 1018034303 /nfs/dbraw/zinc/03/43/03/1018034303.db2.gz BLTWCMADJMKLHH-UHFFFAOYSA-N -1 0 322.364 -0.392 20 0 DBADRM O=C([O-])c1cccc(Cn2cc(CN3CCNC(=O)C3)nn2)c1 ZINC001602650371 1018034380 /nfs/dbraw/zinc/03/43/80/1018034380.db2.gz LWHTWXYPLQRRGG-UHFFFAOYSA-N -1 0 315.333 -0.044 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)[nH]1 ZINC001602654784 1018035704 /nfs/dbraw/zinc/03/57/04/1018035704.db2.gz DROKKWMCWAJTOM-WJWGPLDTSA-N -1 0 320.305 -0.179 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001602655344 1018035813 /nfs/dbraw/zinc/03/58/13/1018035813.db2.gz DYDAEXHNFBHLPS-MNRJBDMISA-N -1 0 324.255 -0.462 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)[C@H]1CCOC(=O)N1 ZINC001602656469 1018035866 /nfs/dbraw/zinc/03/58/66/1018035866.db2.gz ORPDWGQPPGAOPN-SFYZADRCSA-N -1 0 302.283 -0.793 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001602656593 1018036042 /nfs/dbraw/zinc/03/60/42/1018036042.db2.gz VNSNKYYAGGSNKN-KVPKETBZSA-N -1 0 324.255 -0.510 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC([C@H]3COC(=O)N3)CC2)O1 ZINC001602656820 1018036072 /nfs/dbraw/zinc/03/60/72/1018036072.db2.gz YTWRGKFZACISMR-MXWKQRLJSA-N -1 0 312.322 -0.034 20 0 DBADRM O=C([O-])c1cnc(CN2CCC[C@]3(C2)NC(=O)NC3=O)cn1 ZINC001602654953 1018036088 /nfs/dbraw/zinc/03/60/88/1018036088.db2.gz JVKAJBURUCJRRF-CYBMUJFWSA-N -1 0 305.294 -0.651 20 0 DBADRM O=C([O-])c1cncnc1NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC001602654799 1018036337 /nfs/dbraw/zinc/03/63/37/1018036337.db2.gz FDWLCICJARXFSV-FUXBKTLASA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)cn1 ZINC001602655987 1018036664 /nfs/dbraw/zinc/03/66/64/1018036664.db2.gz YRPLGVHFQJQXHW-WPPNPWJKSA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])c1ccc2c(c1)N(C(=O)C[C@@H]1NC(=O)NC1=O)CC2 ZINC001602655245 1018036698 /nfs/dbraw/zinc/03/66/98/1018036698.db2.gz AFFUTHRLRVMRHW-VIFPVBQESA-N -1 0 303.274 -0.128 20 0 DBADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CC2 ZINC001602655314 1018036791 /nfs/dbraw/zinc/03/67/91/1018036791.db2.gz CNOPIESFEPYEBS-NSHDSACASA-N -1 0 317.301 -0.132 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001602656270 1018036856 /nfs/dbraw/zinc/03/68/56/1018036856.db2.gz MEWSQPNFDVTTFX-IVZWLZJFSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)[C@H]3CSC(=O)N3)C[C@H]1COCC2 ZINC001602656692 1018036961 /nfs/dbraw/zinc/03/69/61/1018036961.db2.gz RZXKGOFMWGQHDK-JOAULVNJSA-N -1 0 300.336 -0.239 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H](CC)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001499236487 1018037034 /nfs/dbraw/zinc/03/70/34/1018037034.db2.gz UORXTKHDMOECPC-YUMQZZPRSA-N -1 0 311.342 -0.047 20 0 DBADRM O=C([O-])c1cc(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)no1 ZINC001602654973 1018037231 /nfs/dbraw/zinc/03/72/31/1018037231.db2.gz KUZUCFJHDNNGOB-UHFFFAOYSA-N -1 0 322.277 -0.377 20 0 DBADRM O=C([O-])c1ccccc1CCC(=O)N1CC2(C1)NC(=O)NC2=O ZINC001602656260 1018037247 /nfs/dbraw/zinc/03/72/47/1018037247.db2.gz LZEKAUUCOPZAEX-UHFFFAOYSA-N -1 0 317.301 -0.262 20 0 DBADRM O=CN1CCC(OC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1 ZINC001602663743 1018038071 /nfs/dbraw/zinc/03/80/71/1018038071.db2.gz ZGBHNWONSPSYLM-LLVKDONJSA-N -1 0 312.322 -0.526 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)o1 ZINC001602656975 1018038174 /nfs/dbraw/zinc/03/81/74/1018038174.db2.gz YLUJNFDLVNJEEA-UHFFFAOYSA-N -1 0 307.262 -0.208 20 0 DBADRM O=CNc1ccc(C(=O)NCCn2cc(C(=O)[O-])nn2)cc1 ZINC001602662444 1018038377 /nfs/dbraw/zinc/03/83/77/1018038377.db2.gz QQAJSSAMNRZDQC-UHFFFAOYSA-N -1 0 303.278 -0.025 20 0 DBADRM O=C([O-])C1([C@]2(O)CCCN(C(=O)[C@H]3CCNC3=O)C2)CCC1 ZINC001602657957 1018038632 /nfs/dbraw/zinc/03/86/32/1018038632.db2.gz FDHAWQRBDVNWNR-BONVTDFDSA-N -1 0 310.350 -0.269 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)C1 ZINC001602658253 1018038819 /nfs/dbraw/zinc/03/88/19/1018038819.db2.gz IWYXXNSICGOCRM-IUCAKERBSA-N -1 0 321.293 -0.710 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)O[C@@H]2C(=O)NCC23CCOCC3)O1 ZINC001602659895 1018039356 /nfs/dbraw/zinc/03/93/56/1018039356.db2.gz VUFCIRLCSAIQMY-IVZWLZJFSA-N -1 0 313.306 -0.543 20 0 DBADRM O=C([O-])c1coc(/C=C\C(=O)N2CC3(C2)NC(=O)NC3=O)c1 ZINC001602656999 1018039459 /nfs/dbraw/zinc/03/94/59/1018039459.db2.gz YZPTYFAPNHFIMZ-UPHRSURJSA-N -1 0 305.246 -0.589 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)C1 ZINC001602658250 1018039486 /nfs/dbraw/zinc/03/94/86/1018039486.db2.gz IWYXXNSICGOCRM-DTWKUNHWSA-N -1 0 321.293 -0.710 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCC[C@H]2CCOC2=O)CCO1 ZINC001602662124 1018039657 /nfs/dbraw/zinc/03/96/57/1018039657.db2.gz YRJMNVPYGKGMKJ-UWVGGRQHSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC001602661463 1018039844 /nfs/dbraw/zinc/03/98/44/1018039844.db2.gz QIZGDFZZPSBRCO-CCUNJIBTSA-N -1 0 305.286 -0.138 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(c3nnnn3CCC[C@H]3CCOC3=O)C[C@@H]21 ZINC001602660741 1018039858 /nfs/dbraw/zinc/03/98/58/1018039858.db2.gz GRPMFSUIZDBHQB-UKKRHICBSA-N -1 0 321.337 -0.217 20 0 DBADRM O=CN1CCC(OC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1 ZINC001602663744 1018040089 /nfs/dbraw/zinc/04/00/89/1018040089.db2.gz ZGBHNWONSPSYLM-NSHDSACASA-N -1 0 312.322 -0.526 20 0 DBADRM O=Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])[nH]1 ZINC001602666468 1018040177 /nfs/dbraw/zinc/04/01/77/1018040177.db2.gz XNSUQUZWEIPEMA-SECBINFHSA-N -1 0 314.319 -0.459 20 0 DBADRM O=Cc1ccccc1OCC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001602668942 1018041450 /nfs/dbraw/zinc/04/14/50/1018041450.db2.gz QRXNKKGEMCQLNZ-UHFFFAOYSA-N -1 0 322.317 -0.025 20 0 DBADRM CC[C@H](CNC(=O)[C@@H](F)CC)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001499274495 1018051622 /nfs/dbraw/zinc/05/16/22/1018051622.db2.gz RPAPMWJESQRLPG-RQJHMYQMSA-N -1 0 315.305 -0.345 20 0 DBADRM CC(=O)N1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001602745267 1018057161 /nfs/dbraw/zinc/05/71/61/1018057161.db2.gz WLRKDYCIPVMHMM-LLVKDONJSA-N -1 0 311.338 -1.000 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)CC(=O)[O-] ZINC001602751005 1018057697 /nfs/dbraw/zinc/05/76/97/1018057697.db2.gz JNRKELSKAARBJZ-QMMMGPOBSA-N -1 0 315.370 -0.225 20 0 DBADRM CC(=O)NCCN(C(=O)c1cnn2c1OCCC2)[C@H](C)C(=O)[O-] ZINC001602757654 1018060917 /nfs/dbraw/zinc/06/09/17/1018060917.db2.gz LDCCBEYJZAXGHL-SECBINFHSA-N -1 0 324.337 -0.283 20 0 DBADRM CC(=O)NCCN(CC(=O)NCC(=O)[O-])Cc1ccsc1 ZINC001602757821 1018061003 /nfs/dbraw/zinc/06/10/03/1018061003.db2.gz MZACTLHIQVLQRH-UHFFFAOYSA-N -1 0 313.379 -0.113 20 0 DBADRM C[C@H](C(=O)NC1(C(=O)[O-])CCOCC1)[C@@H](C)S(C)(=O)=O ZINC001602788294 1018062400 /nfs/dbraw/zinc/06/24/00/1018062400.db2.gz DTLGHZAATGDYSS-DTWKUNHWSA-N -1 0 307.368 -0.194 20 0 DBADRM CC(=O)Nc1ncccc1NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001602767010 1018063743 /nfs/dbraw/zinc/06/37/43/1018063743.db2.gz LALWKBKWVJUQEZ-UHFFFAOYSA-N -1 0 304.266 -0.032 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])n1cccn1 ZINC001602789168 1018064430 /nfs/dbraw/zinc/06/44/30/1018064430.db2.gz INMMQVBGLXKLOC-BDAKNGLRSA-N -1 0 301.324 -0.846 20 0 DBADRM CC(=O)OC[C@H](CO)NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001602766973 1018064688 /nfs/dbraw/zinc/06/46/88/1018064688.db2.gz JSVLLTCISYVIFU-JTQLQIEISA-N -1 0 303.311 -0.702 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC001602802253 1018065234 /nfs/dbraw/zinc/06/52/34/1018065234.db2.gz SWXFEEQUIUZHMJ-NXEZZACHSA-N -1 0 318.337 -0.118 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001602797235 1018065319 /nfs/dbraw/zinc/06/53/19/1018065319.db2.gz PTWUEXPVNRIHCF-SNVBAGLBSA-N -1 0 318.395 -0.572 20 0 DBADRM C=CC(=O)Nc1cccc(C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001602799806 1018065573 /nfs/dbraw/zinc/06/55/73/1018065573.db2.gz BMUHTFOVUWTZRL-UHFFFAOYSA-N -1 0 305.290 -0.258 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)OCC(=O)c1ccc(S(C)(=O)=O)nc1 ZINC001602808466 1018066300 /nfs/dbraw/zinc/06/63/00/1018066300.db2.gz BISNKZXSKFEJAW-ZETCQYMHSA-N -1 0 315.303 -0.068 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001602797234 1018066680 /nfs/dbraw/zinc/06/66/80/1018066680.db2.gz PTWUEXPVNRIHCF-JTQLQIEISA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001602811280 1018066994 /nfs/dbraw/zinc/06/69/94/1018066994.db2.gz XANJCYPUACZVMV-VIFPVBQESA-N -1 0 312.322 -0.669 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001602814313 1018067412 /nfs/dbraw/zinc/06/74/12/1018067412.db2.gz IWVFJTXVGUNCJS-ONGXEEELSA-N -1 0 318.395 -0.431 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)CSCC(N)=O)n1 ZINC001602839281 1018068364 /nfs/dbraw/zinc/06/83/64/1018068364.db2.gz QZSZBIKLWGESOI-UHFFFAOYSA-N -1 0 300.340 -0.140 20 0 DBADRM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001602854692 1018068504 /nfs/dbraw/zinc/06/85/04/1018068504.db2.gz SRXVFUWYRKENIZ-WCBMZHEXSA-N -1 0 314.342 -0.750 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001602838417 1018069090 /nfs/dbraw/zinc/06/90/90/1018069090.db2.gz SFKOKSMSOKVSMA-ZETCQYMHSA-N -1 0 316.339 -0.667 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001602851805 1018070324 /nfs/dbraw/zinc/07/03/24/1018070324.db2.gz CEPXXNHULTZNKR-PELKAZGASA-N -1 0 307.368 -0.601 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC001602847144 1018070510 /nfs/dbraw/zinc/07/05/10/1018070510.db2.gz GXSKVTWPJVHFQE-QMMMGPOBSA-N -1 0 307.372 -0.919 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CNC1(C(=O)[O-])CCOCC1 ZINC001602869652 1018073369 /nfs/dbraw/zinc/07/33/69/1018073369.db2.gz BSCKZBCRJPQPFV-UHFFFAOYSA-N -1 0 315.370 -0.759 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)[O-])CC1 ZINC001602892069 1018074048 /nfs/dbraw/zinc/07/40/48/1018074048.db2.gz DOUJVWBMRGCECS-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001602905633 1018075768 /nfs/dbraw/zinc/07/57/68/1018075768.db2.gz VESXADPEZLUWPK-BDAKNGLRSA-N -1 0 318.326 -0.816 20 0 DBADRM CC(=O)N1CCC(C)(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001602923781 1018078116 /nfs/dbraw/zinc/07/81/16/1018078116.db2.gz GGHXHCFHRZWIPN-UHFFFAOYSA-N -1 0 302.342 -0.109 20 0 DBADRM CC(=O)N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001602939252 1018082241 /nfs/dbraw/zinc/08/22/41/1018082241.db2.gz MAAUCOWCFAWBKY-NXEZZACHSA-N -1 0 302.342 -0.062 20 0 DBADRM C=CS(=O)(=O)CCC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001602940136 1018083719 /nfs/dbraw/zinc/08/37/19/1018083719.db2.gz JLOYIIPAVGDTDG-LLVKDONJSA-N -1 0 318.395 -0.058 20 0 DBADRM C/C(=C/CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC001602964645 1018084840 /nfs/dbraw/zinc/08/48/40/1018084840.db2.gz QTGVXADBXRGAHY-RENATIMJSA-N -1 0 302.396 -0.178 20 0 DBADRM CC(=O)OC[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001602958133 1018085206 /nfs/dbraw/zinc/08/52/06/1018085206.db2.gz LWPRTNYZFAMAFK-VIFPVBQESA-N -1 0 321.293 -0.774 20 0 DBADRM C/C(=C/CN1CCS(=O)(=NS(C)(=O)=O)CC1)C(=O)[O-] ZINC001602963329 1018085337 /nfs/dbraw/zinc/08/53/37/1018085337.db2.gz CBHVOKJMEMCINV-OQFOIZHKSA-N -1 0 310.397 -0.240 20 0 DBADRM CC(C)[C@@H](CNC(=O)C1(CS(C)(=O)=O)COC1)C(=O)[O-] ZINC001602977601 1018090666 /nfs/dbraw/zinc/09/06/66/1018090666.db2.gz GFOOBOVPPMODNI-SECBINFHSA-N -1 0 307.368 -0.479 20 0 DBADRM C/C(=C\CNC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC001602971733 1018090868 /nfs/dbraw/zinc/09/08/68/1018090868.db2.gz CYNSNSAWQXMERA-MXJKNTAJSA-N -1 0 313.354 -0.048 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)NCc1nnc2c(=O)n(C)ccn12 ZINC001602970505 1018091151 /nfs/dbraw/zinc/09/11/51/1018091151.db2.gz WFQFHPAYDMRRRO-VIFPVBQESA-N -1 0 307.310 -0.599 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001602994194 1018092892 /nfs/dbraw/zinc/09/28/92/1018092892.db2.gz ZDCLXCTVLIQNPY-AEJSXWLSSA-N -1 0 306.384 -0.070 20 0 DBADRM C[C@H](C(=O)N(C)[C@@H]1CCCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001602990170 1018093169 /nfs/dbraw/zinc/09/31/69/1018093169.db2.gz VZTWHZXUKHTKHM-RKDXNWHRSA-N -1 0 306.330 -0.343 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001603002791 1018093408 /nfs/dbraw/zinc/09/34/08/1018093408.db2.gz KZJWDTLGGPRKTN-GUBZILKMSA-N -1 0 313.354 -0.628 20 0 DBADRM CC(=O)CCCC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603000878 1018094285 /nfs/dbraw/zinc/09/42/85/1018094285.db2.gz KEVJZXBWKGMKDY-UHFFFAOYSA-N -1 0 305.352 -0.106 20 0 DBADRM CC(=O)N(C)CC(=O)OCC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001603005949 1018094387 /nfs/dbraw/zinc/09/43/87/1018094387.db2.gz ZXKDELSMYBEKGZ-SNVBAGLBSA-N -1 0 302.327 -0.377 20 0 DBADRM CC(=O)N1C[C@@H](C(=O)N[C@@](C)(CO)C(=O)[O-])Oc2ccccc21 ZINC001603013311 1018096692 /nfs/dbraw/zinc/09/66/92/1018096692.db2.gz ISOCHGIMGMNRAK-WFASDCNBSA-N -1 0 322.317 -0.248 20 0 DBADRM C[C@H](C(=O)NC[C@@H](CO)CC1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603010162 1018097237 /nfs/dbraw/zinc/09/72/37/1018097237.db2.gz TXFKJKMHOLFVEX-SCZZXKLOSA-N -1 0 320.357 -0.456 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(NC(=O)C2CC2)CCCC1 ZINC001499412650 1018097335 /nfs/dbraw/zinc/09/73/35/1018097335.db2.gz CHLKQGOHSHJEFA-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM C[C@H](C(=O)NCCC1(CO)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603016202 1018097829 /nfs/dbraw/zinc/09/78/29/1018097829.db2.gz UIVASPQYBDPJEQ-MRVPVSSYSA-N -1 0 306.330 -0.702 20 0 DBADRM CC(C)(C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1)c1c[nH]cn1 ZINC001499421911 1018098300 /nfs/dbraw/zinc/09/83/00/1018098300.db2.gz QSKMHVTUNPKDOS-UHFFFAOYSA-N -1 0 319.369 -0.050 20 0 DBADRM C[C@H](C(=O)NCc1cscn1)n1cnc(-c2nnn[n-]2)n1 ZINC001603019491 1018098345 /nfs/dbraw/zinc/09/83/45/1018098345.db2.gz HZVGOTBCOMCYQV-ZCFIWIBFSA-N -1 0 305.327 -0.208 20 0 DBADRM CC(=O)N1CCC(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CC1 ZINC001603014219 1018098812 /nfs/dbraw/zinc/09/88/12/1018098812.db2.gz YXKBNATTZACWAG-ZDUSSCGKSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1COC(C)(C)O1)n1cnc(-c2nnn[n-]2)n1 ZINC001603017167 1018099512 /nfs/dbraw/zinc/09/95/12/1018099512.db2.gz YYNIQSJQHUGNKA-YUMQZZPRSA-N -1 0 322.329 -0.713 20 0 DBADRM CC(=O)N1C[C@H](C(=O)N[C@](C)(CO)C(=O)[O-])Oc2ccccc21 ZINC001603013309 1018099794 /nfs/dbraw/zinc/09/97/94/1018099794.db2.gz ISOCHGIMGMNRAK-IUODEOHRSA-N -1 0 322.317 -0.248 20 0 DBADRM C[C@H](C(=O)NC[C@@]1(O)CCSC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603013729 1018100804 /nfs/dbraw/zinc/10/08/04/1018100804.db2.gz YEEKZCCTRLUJMO-HQJQHLMTSA-N -1 0 324.370 -0.997 20 0 DBADRM CC(C)COC[C@@H](O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001603030689 1018103250 /nfs/dbraw/zinc/10/32/50/1018103250.db2.gz LITLPOJMHAVUND-WDEREUQCSA-N -1 0 309.384 -0.797 20 0 DBADRM CC(=O)N1CCCC[C@H]1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001603021181 1018103483 /nfs/dbraw/zinc/10/34/83/1018103483.db2.gz XGPLPYUDAMSGTQ-NSHDSACASA-N -1 0 309.326 -0.507 20 0 DBADRM C[C@@H](C(=O)OC[C@@H]1CCCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603032287 1018104662 /nfs/dbraw/zinc/10/46/62/1018104662.db2.gz PHSOROCWKKRVNH-DTWKUNHWSA-N -1 0 307.314 -0.011 20 0 DBADRM C[C@H](C(=O)N[C@H]1CC[C@H](O)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603022904 1018105447 /nfs/dbraw/zinc/10/54/47/1018105447.db2.gz FYMFRABDHDQSPB-IWSPIJDZSA-N -1 0 306.330 -0.561 20 0 DBADRM C[C@H](C(=O)N[C@H]1CC[C@@H](CO)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603022696 1018106082 /nfs/dbraw/zinc/10/60/82/1018106082.db2.gz BDNLYXDWCZVUCU-BBBLOLIVSA-N -1 0 320.357 -0.314 20 0 DBADRM C[C@@H](C(=O)O[C@H]1C(=O)OCC1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001603031355 1018106529 /nfs/dbraw/zinc/10/65/29/1018106529.db2.gz DLYGOLGDEXKEMK-BQBZGAKWSA-N -1 0 321.297 -0.486 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001603035618 1018108047 /nfs/dbraw/zinc/10/80/47/1018108047.db2.gz GXHUASMJEUWBBX-MRVPVSSYSA-N -1 0 309.326 -0.748 20 0 DBADRM C[C@@H](C(=O)OCC[C@@H]1CCNC1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001603033321 1018108905 /nfs/dbraw/zinc/10/89/05/1018108905.db2.gz XAPYNWCSQVTOLZ-YUMQZZPRSA-N -1 0 320.313 -0.911 20 0 DBADRM CC(=O)NCC(=O)NC/C=C\CNc1ncc(C(=O)[O-])cn1 ZINC001603042917 1018109153 /nfs/dbraw/zinc/10/91/53/1018109153.db2.gz QRXDACOTDKGOND-IHWYPQMZSA-N -1 0 307.310 -0.605 20 0 DBADRM CC(=O)NCC(=O)N1CCCN(c2cc(C(=O)[O-])ccn2)CC1 ZINC001603042432 1018110051 /nfs/dbraw/zinc/11/00/51/1018110051.db2.gz KHHCDDBQFKPKEN-UHFFFAOYSA-N -1 0 320.349 -0.045 20 0 DBADRM CC(=O)NCC(=O)NC/C=C/CNc1ncc(C(=O)[O-])cn1 ZINC001603042918 1018110087 /nfs/dbraw/zinc/11/00/87/1018110087.db2.gz QRXDACOTDKGOND-NSCUHMNNSA-N -1 0 307.310 -0.605 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NCCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001603035484 1018110561 /nfs/dbraw/zinc/11/05/61/1018110561.db2.gz BDCIYHSZJPILRY-VIFPVBQESA-N -1 0 323.353 -0.358 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1 ZINC001603040541 1018111601 /nfs/dbraw/zinc/11/16/01/1018111601.db2.gz VXYWSBJGGBXJGX-MNOVXSKESA-N -1 0 311.338 -0.953 20 0 DBADRM CC(=O)NCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001603052710 1018112866 /nfs/dbraw/zinc/11/28/66/1018112866.db2.gz QNBQUXPBBMQSGE-MNOVXSKESA-N -1 0 307.310 -0.982 20 0 DBADRM CC(=O)NCCCCCN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001603044728 1018113104 /nfs/dbraw/zinc/11/31/04/1018113104.db2.gz KJEPEYOKYYMDTF-LBPRGKRZSA-N -1 0 320.411 -0.134 20 0 DBADRM CC(=O)NCc1cn(C2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001603052713 1018113955 /nfs/dbraw/zinc/11/39/55/1018113955.db2.gz QNBQUXPBBMQSGE-WDEREUQCSA-N -1 0 307.310 -0.982 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)NC2CC(CC(=O)[O-])C2)CCO1 ZINC001603044278 1018114010 /nfs/dbraw/zinc/11/40/10/1018114010.db2.gz DERCJNJEEZDHPH-HTAVTVPLSA-N -1 0 313.354 -0.214 20 0 DBADRM CC(=O)NCC[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001603045044 1018114317 /nfs/dbraw/zinc/11/43/17/1018114317.db2.gz OKMJLNOVORIXNQ-LLVKDONJSA-N -1 0 323.353 -0.259 20 0 DBADRM CC(=O)NCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001603052702 1018114332 /nfs/dbraw/zinc/11/43/32/1018114332.db2.gz QNBQUXPBBMQSGE-GHMZBOCLSA-N -1 0 307.310 -0.982 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)C1=O ZINC001603068754 1018114739 /nfs/dbraw/zinc/11/47/39/1018114739.db2.gz QSSDBERSOPSBDY-NSHDSACASA-N -1 0 321.333 -0.328 20 0 DBADRM CC(C)(C(=O)NCCn1cnc(-c2nnn[n-]2)n1)c1c[nH]cn1 ZINC001603043754 1018115421 /nfs/dbraw/zinc/11/54/21/1018115421.db2.gz AIQZRSXWGIPDEH-UHFFFAOYSA-N -1 0 316.329 -0.725 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001603047781 1018115647 /nfs/dbraw/zinc/11/56/47/1018115647.db2.gz QPSSYURUFCUSJO-UHFFFAOYSA-N -1 0 310.310 -0.744 20 0 DBADRM CC(C)(C)OC(=O)C(=O)Cn1cncc(-c2nnn[n-]2)c1=O ZINC001603082703 1018116601 /nfs/dbraw/zinc/11/66/01/1018116601.db2.gz PAAYAHBKWOUQKB-UHFFFAOYSA-N -1 0 306.282 -0.666 20 0 DBADRM CC(C)OC[C@H]1CN([C@@H]2CCN(CC(=O)[O-])C2=O)CCO1 ZINC001603075732 1018117567 /nfs/dbraw/zinc/11/75/67/1018117567.db2.gz IQHQITRHTVOKAL-VXGBXAGGSA-N -1 0 300.355 -0.202 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])s1 ZINC001603086357 1018118183 /nfs/dbraw/zinc/11/81/83/1018118183.db2.gz IOVQMYXOWBVNMS-VIFPVBQESA-N -1 0 323.352 -0.785 20 0 DBADRM CC(C)[C@@H](NC(=O)c1ccnc(S(C)(=O)=O)n1)C(=O)[O-] ZINC001603091841 1018118895 /nfs/dbraw/zinc/11/88/95/1018118895.db2.gz RVBFRDJLXAEYJN-MRVPVSSYSA-N -1 0 301.324 -0.281 20 0 DBADRM CC(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001603118638 1018119551 /nfs/dbraw/zinc/11/95/51/1018119551.db2.gz SNWNUIIOIYBRNX-LLVKDONJSA-N -1 0 308.290 -0.221 20 0 DBADRM C[C@H](NC(=O)CN1CCCCC(=O)C1=O)c1nn(C)cc1[O-] ZINC001603115874 1018119824 /nfs/dbraw/zinc/11/98/24/1018119824.db2.gz DGHDGKOWCZSWKL-VIFPVBQESA-N -1 0 308.338 -0.116 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC001603125243 1018121716 /nfs/dbraw/zinc/12/17/16/1018121716.db2.gz FLBGZOKKSDAYIH-MRVPVSSYSA-N -1 0 315.351 -0.004 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC001603127627 1018123532 /nfs/dbraw/zinc/12/35/32/1018123532.db2.gz OUNLUOKJZZDYLF-QCZZGDTMSA-N -1 0 321.333 -0.041 20 0 DBADRM CC(C)(C)c1noc(Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)n1 ZINC001603127909 1018123551 /nfs/dbraw/zinc/12/35/51/1018123551.db2.gz BMMRKQGMABVSTJ-UHFFFAOYSA-N -1 0 318.297 -0.142 20 0 DBADRM C[C@H](C(=O)N1CC(O)(C(=O)[O-])C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001603139477 1018123797 /nfs/dbraw/zinc/12/37/97/1018123797.db2.gz DJMVAUPYJKBDCT-UTLUCORTSA-N -1 0 324.333 -0.792 20 0 DBADRM C[C@@H](C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)S(C)(=O)=O ZINC001603141841 1018124813 /nfs/dbraw/zinc/12/48/13/1018124813.db2.gz WDPBWZWJAHLDNI-CPCISQLKSA-N -1 0 304.324 -0.749 20 0 DBADRM C[C@H](CC[S@@](C)=O)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603142727 1018125023 /nfs/dbraw/zinc/12/50/23/1018125023.db2.gz IZWTXOUMAPHZKQ-FDXSBTRWSA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CC[C@@H](C(=O)N(C)C)C1)C(=O)[O-] ZINC001603144942 1018125038 /nfs/dbraw/zinc/12/50/38/1018125038.db2.gz JWQWZABDYOBTGH-VHSXEESVSA-N -1 0 313.354 -0.898 20 0 DBADRM CC(C)(CCS(C)(=O)=O)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001603143917 1018125045 /nfs/dbraw/zinc/12/50/45/1018125045.db2.gz ODMPWHPOCYYTLD-UHFFFAOYSA-N -1 0 311.371 -0.296 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NCCCC(=O)N(C)C)C(=O)[O-] ZINC001603144791 1018125511 /nfs/dbraw/zinc/12/55/11/1018125511.db2.gz GGBXWBNBPOSWIX-SECBINFHSA-N -1 0 301.343 -0.850 20 0 DBADRM C[C@H](O)C1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC1 ZINC001603145320 1018127100 /nfs/dbraw/zinc/12/71/00/1018127100.db2.gz PCJIBIHDZMXXMD-UWVGGRQHSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NC1CCC(C)(O)CC1)C(=O)[O-] ZINC001603144599 1018127725 /nfs/dbraw/zinc/12/77/25/1018127725.db2.gz CATIDOAZGQTCHK-IPWFMCSPSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N(C)CC(=O)NC(C)(C)C)C(=O)[O-] ZINC001603145689 1018127770 /nfs/dbraw/zinc/12/77/70/1018127770.db2.gz UXINQIOIAQCTLH-SECBINFHSA-N -1 0 315.370 -0.461 20 0 DBADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccnn1C)[C@@H](C)S(C)(=O)=O ZINC001603152233 1018129588 /nfs/dbraw/zinc/12/95/88/1018129588.db2.gz AFRIJIBVEFEJHD-QXFUBDJGSA-N -1 0 317.367 -0.269 20 0 DBADRM C[C@H](C(=O)N[C@H](CCC1OCCO1)C(=O)[O-])S(C)(=O)=O ZINC001603155455 1018129747 /nfs/dbraw/zinc/12/97/47/1018129747.db2.gz PEUSKKGGNCGUQV-HTQZYQBOSA-N -1 0 309.340 -0.858 20 0 DBADRM C[C@H](C(=O)N[C@@H](CF)C(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC001603154431 1018129900 /nfs/dbraw/zinc/12/99/00/1018129900.db2.gz DTOCQCWQHLMQEG-SFYZADRCSA-N -1 0 315.301 -0.222 20 0 DBADRM C[C@H](C(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-])N1CCN(C)CC1 ZINC001603154548 1018130889 /nfs/dbraw/zinc/13/08/89/1018130889.db2.gz GVTSKQJLICHMJS-FRRDWIJNSA-N -1 0 313.398 -0.239 20 0 DBADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1F)N1CCNCC1=O ZINC001603152420 1018131715 /nfs/dbraw/zinc/13/17/15/1018131715.db2.gz BQYALGBUYIXDME-TVQRCGJNSA-N -1 0 323.324 -0.112 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(C)(C)O)C1)C(=O)[O-] ZINC001603158948 1018137170 /nfs/dbraw/zinc/13/71/70/1018137170.db2.gz MQRFXWHZRZKILI-VHSXEESVSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](CNC(=O)C1(C(=O)[O-])CCOCC1)CN1CCOCC1 ZINC001603168344 1018139258 /nfs/dbraw/zinc/13/92/58/1018139258.db2.gz PSEJNNRTICDDEQ-GFCCVEGCSA-N -1 0 314.382 -0.048 20 0 DBADRM C[C@H](CNC(=O)NCc1cn(C2CC2)c(=O)[nH]c1=O)C(=O)[O-] ZINC001603184114 1018139606 /nfs/dbraw/zinc/13/96/06/1018139606.db2.gz VLPKWGTUCBUMCQ-SSDOTTSWSA-N -1 0 310.310 -0.196 20 0 DBADRM C[C@H](C(=O)N[C@H]1CC[C@H]1C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001603174590 1018140723 /nfs/dbraw/zinc/14/07/23/1018140723.db2.gz MZDZGKNWSLQTAW-IEBDPFPHSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CC[C@H]1C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001603174589 1018140975 /nfs/dbraw/zinc/14/09/75/1018140975.db2.gz MZDZGKNWSLQTAW-GDPRMGEGSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1nc2c(s1)COCC2)C(=O)[O-] ZINC001603166196 1018141038 /nfs/dbraw/zinc/14/10/38/1018141038.db2.gz GDYZWDAQYYUNAW-LURJTMIESA-N -1 0 313.335 -0.009 20 0 DBADRM C[C@H](C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)[C@H]1CCCO1 ZINC001603167281 1018141175 /nfs/dbraw/zinc/14/11/75/1018141175.db2.gz RVQSDNSWUZSVDP-MPXOCVNLSA-N -1 0 319.379 -0.194 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H](C)n1cncn1 ZINC001603173068 1018141276 /nfs/dbraw/zinc/14/12/76/1018141276.db2.gz DOJFLAMTFAKMTD-IUCAKERBSA-N -1 0 319.325 -0.056 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCn2nc(C3CC3)cc2C1)C(=O)[O-] ZINC001603166664 1018142408 /nfs/dbraw/zinc/14/24/08/1018142408.db2.gz RKMOBTTYSZZAEM-SECBINFHSA-N -1 0 320.349 -0.060 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)S(N)(=O)=O ZINC001603168138 1018142568 /nfs/dbraw/zinc/14/25/68/1018142568.db2.gz MRFJBSMPWBDAKP-HRDYMLBCSA-N -1 0 308.356 -0.951 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)CN(C)S(=O)(=O)N(C)C)C1CCC1 ZINC001603196376 1018143903 /nfs/dbraw/zinc/14/39/03/1018143903.db2.gz SFNDZHASKLFROK-VIFPVBQESA-N -1 0 321.399 -0.421 20 0 DBADRM CC(CO)(CO)NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001603202568 1018143966 /nfs/dbraw/zinc/14/39/66/1018143966.db2.gz NKJLZBKXMWWQFG-GFCCVEGCSA-N -1 0 321.333 -0.435 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001603199500 1018144962 /nfs/dbraw/zinc/14/49/62/1018144962.db2.gz JZNLWEDBXPZUIG-AUTRQRHGSA-N -1 0 320.367 -0.838 20 0 DBADRM C[C@@H](C(=O)[O-])N(CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001603197744 1018145244 /nfs/dbraw/zinc/14/52/44/1018145244.db2.gz STKNRLCMOYWHTA-UWVGGRQHSA-N -1 0 318.395 -0.383 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1nccc(N)n1 ZINC001603218825 1018147772 /nfs/dbraw/zinc/14/77/72/1018147772.db2.gz IYBVPBHQJOXMSM-BDAKNGLRSA-N -1 0 321.337 -0.441 20 0 DBADRM C[C@H]([C@H](C)NC(=O)c1cc(C(=O)[O-])nn1C)N1CCOCC1 ZINC001603234500 1018151189 /nfs/dbraw/zinc/15/11/89/1018151189.db2.gz PLHOQVAJXSNLKM-VHSXEESVSA-N -1 0 310.354 -0.043 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1cnc(CC2CC2)nc1)C(=O)[O-] ZINC001603256176 1018151518 /nfs/dbraw/zinc/15/15/18/1018151518.db2.gz IRIAXNFCEWBVDL-CQSZACIVSA-N -1 0 322.321 -0.681 20 0 DBADRM C[C@H](NC(=O)NCCOCCOCC(=O)[O-])c1ccn(C)n1 ZINC001603232734 1018153078 /nfs/dbraw/zinc/15/30/78/1018153078.db2.gz UZCXOMCBMRNEPT-JTQLQIEISA-N -1 0 314.342 -0.102 20 0 DBADRM CC(C)(C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1)c1c[nH]cn1 ZINC001603235314 1018153165 /nfs/dbraw/zinc/15/31/65/1018153165.db2.gz LWFWGKVDHNEQFH-VHSXEESVSA-N -1 0 320.349 -0.265 20 0 DBADRM C[C@](O)(CNC(=O)Nc1cccnc1-n1cncn1)C(=O)[O-] ZINC001603257294 1018155373 /nfs/dbraw/zinc/15/53/73/1018155373.db2.gz WQONPJGAYAJOBV-LBPRGKRZSA-N -1 0 306.282 -0.381 20 0 DBADRM C[C@](O)(CNC(=O)c1cccc(CS(C)(=O)=O)c1)C(=O)[O-] ZINC001603262002 1018155600 /nfs/dbraw/zinc/15/56/00/1018155600.db2.gz ZXYOBNPUVBSROY-ZDUSSCGKSA-N -1 0 315.347 -0.203 20 0 DBADRM C[C@](O)(CNC(=O)Nc1cccnc1N1CCOCC1)C(=O)[O-] ZINC001603257171 1018156128 /nfs/dbraw/zinc/15/61/28/1018156128.db2.gz PEXPRBQIKRRMDZ-AWEZNQCLSA-N -1 0 324.337 -0.125 20 0 DBADRM C[C@](O)(Cc1ccccc1)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001603262993 1018156606 /nfs/dbraw/zinc/15/66/06/1018156606.db2.gz GIMXQEQOVLJJSS-INIZCTEOSA-N -1 0 320.345 -0.265 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)C2(CC(=O)[O-])CCOCC2)CCO1 ZINC001603264718 1018156639 /nfs/dbraw/zinc/15/66/39/1018156639.db2.gz BOKIRDOJFGVWRL-GHMZBOCLSA-N -1 0 301.339 -0.134 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1cccnc1N1CCOCC1)C(=O)[O-] ZINC001603257172 1018156887 /nfs/dbraw/zinc/15/68/87/1018156887.db2.gz PEXPRBQIKRRMDZ-CQSZACIVSA-N -1 0 324.337 -0.125 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)c2nc3n(n2)CCCN3)cn1 ZINC001603285990 1018158215 /nfs/dbraw/zinc/15/82/15/1018158215.db2.gz COWKLNWKRLIJFP-UHFFFAOYSA-N -1 0 319.325 -0.380 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)c2cc(C(=O)[O-])nn2C)[C@H](C)C1 ZINC001603268930 1018158444 /nfs/dbraw/zinc/15/84/44/1018158444.db2.gz QHKGZKWENWFJPU-NXEZZACHSA-N -1 0 310.354 -0.355 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001603290186 1018159780 /nfs/dbraw/zinc/15/97/80/1018159780.db2.gz RNWRYIIQSSQGPY-LURJTMIESA-N -1 0 309.282 -0.761 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C2(S(N)(=O)=O)CC2)cn1 ZINC001603282075 1018159908 /nfs/dbraw/zinc/15/99/08/1018159908.db2.gz AORWRQVDCQSAKT-UHFFFAOYSA-N -1 0 316.339 -0.538 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC001603292908 1018159936 /nfs/dbraw/zinc/15/99/36/1018159936.db2.gz SFRMMQNNZQGPOD-BXKDBHETSA-N -1 0 319.383 -0.632 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC001603271937 1018160045 /nfs/dbraw/zinc/16/00/45/1018160045.db2.gz JVSJYTOJZAGSDR-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@H](O)CN(C(=O)c1cccn(CC(=O)[O-])c1=O)[C@@H](C)CO ZINC001603268183 1018160425 /nfs/dbraw/zinc/16/04/25/1018160425.db2.gz DZLSRUDDEVBFOO-UWVGGRQHSA-N -1 0 312.322 -0.863 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2ccc(C(N)=O)o2)C1 ZINC001603297178 1018162319 /nfs/dbraw/zinc/16/23/19/1018162319.db2.gz KZAPCILWCSHTTH-AWEZNQCLSA-N -1 0 323.305 -0.682 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CC[C@H]1C(=O)[O-] ZINC001603298164 1018162729 /nfs/dbraw/zinc/16/27/29/1018162729.db2.gz GFMVEKDENBFKJO-VIFPVBQESA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)C1 ZINC001603297321 1018163344 /nfs/dbraw/zinc/16/33/44/1018163344.db2.gz OKCUDSPJCKMMDS-HNNXBMFYSA-N -1 0 323.349 -0.857 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCc3nnnn3CC2)C1 ZINC001603301730 1018163591 /nfs/dbraw/zinc/16/35/91/1018163591.db2.gz MQQZNWKAPJZTPU-ZANVPECISA-N -1 0 308.342 -0.116 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001603300516 1018163977 /nfs/dbraw/zinc/16/39/77/1018163977.db2.gz NJIJDSVOFPPPHM-VIFPVBQESA-N -1 0 311.342 -0.600 20 0 DBADRM CC1(C)OC[C@H]2C[C@]21NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001603336163 1018166075 /nfs/dbraw/zinc/16/60/75/1018166075.db2.gz DGSPBCFTDJRCGX-PTRXPTGYSA-N -1 0 304.368 -0.063 20 0 DBADRM CC(C)(C)/C=C\C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001603320696 1018166645 /nfs/dbraw/zinc/16/66/45/1018166645.db2.gz IPZGBTORURHMQL-WQMVXFAESA-N -1 0 324.377 -0.001 20 0 DBADRM CC1(C)C[C@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)C(=O)O1 ZINC001603316080 1018166812 /nfs/dbraw/zinc/16/68/12/1018166812.db2.gz PLGPLUDRIAORLM-VIFPVBQESA-N -1 0 308.290 -0.243 20 0 DBADRM CC1(C)C[C@@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)C(=O)O1 ZINC001603316077 1018166945 /nfs/dbraw/zinc/16/69/45/1018166945.db2.gz PLGPLUDRIAORLM-SECBINFHSA-N -1 0 308.290 -0.243 20 0 DBADRM CC(C)(C)/C=C/C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001603320699 1018167574 /nfs/dbraw/zinc/16/75/74/1018167574.db2.gz IPZGBTORURHMQL-XKFHPXPTSA-N -1 0 324.377 -0.001 20 0 DBADRM CC(C)(C)N1CC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001603345001 1018169443 /nfs/dbraw/zinc/16/94/43/1018169443.db2.gz YXTUJJIOYKXSOZ-ZJUUUORDSA-N -1 0 318.395 -0.431 20 0 DBADRM CC1=C(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)Cn2nnnc2N1C ZINC001603352198 1018169821 /nfs/dbraw/zinc/16/98/21/1018169821.db2.gz JWXHXEHLRAVMTJ-DTWKUNHWSA-N -1 0 306.326 -0.234 20 0 DBADRM CC1(C)OC[C@@H]([C@@H]2CN(CC(=O)NCC(=O)[O-])CCO2)O1 ZINC001603336915 1018170214 /nfs/dbraw/zinc/17/02/14/1018170214.db2.gz XTSPGQHCAZJXHK-UWVGGRQHSA-N -1 0 302.327 -0.961 20 0 DBADRM C[C@]12CN(C(=O)c3ccc(C(=O)[O-])nc3)C[C@@]1(C)C(=O)NC2=O ZINC001603347659 1018171695 /nfs/dbraw/zinc/17/16/95/1018171695.db2.gz CNWOXEICVLSWPP-GASCZTMLSA-N -1 0 317.301 -0.095 20 0 DBADRM CC1(C)OCC(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CO1 ZINC001603336814 1018171898 /nfs/dbraw/zinc/17/18/98/1018171898.db2.gz SCVDEUYGVAKFIX-QMMMGPOBSA-N -1 0 300.311 -0.813 20 0 DBADRM CC(C)(C)N1C[C@@H](CNC(=O)N2CC(O)(C(=O)[O-])C2)CC1=O ZINC001603343114 1018172430 /nfs/dbraw/zinc/17/24/30/1018172430.db2.gz GWQMFSLVQHJGPS-SECBINFHSA-N -1 0 313.354 -0.526 20 0 DBADRM CC(C)(C)CN(CCCO)C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001603338717 1018172589 /nfs/dbraw/zinc/17/25/89/1018172589.db2.gz QOIFGGBYJOSYEC-VIFPVBQESA-N -1 0 306.334 -0.218 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC(C(=O)[O-])CC1 ZINC001603352269 1018173325 /nfs/dbraw/zinc/17/33/25/1018173325.db2.gz MZEDFTHOQYWOIV-UHFFFAOYSA-N -1 0 315.351 -0.155 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)C[C@H]2C[C@@H](O)C2)C1 ZINC001603355633 1018173822 /nfs/dbraw/zinc/17/38/22/1018173822.db2.gz UZEMYNLFGUHRDK-KKOKHZNYSA-N -1 0 312.366 -0.215 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N[C@](C)(CO)C(=O)[O-])C1 ZINC001603358128 1018175139 /nfs/dbraw/zinc/17/51/39/1018175139.db2.gz FDYIKQSIAFCXNY-ISVAXAHUSA-N -1 0 316.310 -0.575 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cn(C)cn2)C1 ZINC001603355413 1018175196 /nfs/dbraw/zinc/17/51/96/1018175196.db2.gz RGVDEXNYPMGFJN-UWVGGRQHSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2nc(N)nc(N(C)C)n2)C1 ZINC001603368102 1018176156 /nfs/dbraw/zinc/17/61/56/1018176156.db2.gz NUMDNEGMRDAIJI-HTQZYQBOSA-N -1 0 308.342 -0.297 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001603373720 1018177583 /nfs/dbraw/zinc/17/75/83/1018177583.db2.gz JRWANQPKFOKLMH-CABZTGNLSA-N -1 0 316.354 -0.646 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C(=O)NCCCCC(=O)[O-])c2ncnn21 ZINC001603374345 1018177608 /nfs/dbraw/zinc/17/76/08/1018177608.db2.gz BGWZUXINAHARBP-IUCAKERBSA-N -1 0 309.326 -0.229 20 0 DBADRM C[C@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001603374581 1018177993 /nfs/dbraw/zinc/17/79/93/1018177993.db2.gz FGURSWRBJHTZLN-UWVGGRQHSA-N -1 0 324.337 -0.617 20 0 DBADRM C[C@@H]1C[C@@H](n2nnnc2N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@H](C)O1 ZINC001603381266 1018178771 /nfs/dbraw/zinc/17/87/71/1018178771.db2.gz WDQICQWIKVSYAX-AYDOGRCQSA-N -1 0 323.353 -0.051 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nnnn2CCC(=O)N(C)C)C1 ZINC001603372066 1018178836 /nfs/dbraw/zinc/17/88/36/1018178836.db2.gz LQXZMENIAOHKMN-NXEZZACHSA-N -1 0 310.358 -0.302 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(c2nnnn2CCN2CCOCC2)C1 ZINC001603372002 1018178953 /nfs/dbraw/zinc/17/89/53/1018178953.db2.gz KNWMPWYUPCSJQV-RYUDHWBXSA-N -1 0 324.385 -0.448 20 0 DBADRM CC(C)c1ocnc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603425072 1018180361 /nfs/dbraw/zinc/18/03/61/1018180361.db2.gz YPWIYYJSBLDNQM-UHFFFAOYSA-N -1 0 317.313 0.000 20 0 DBADRM C[C@H]1CC[C@@H](CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)O1 ZINC001603395388 1018181599 /nfs/dbraw/zinc/18/15/99/1018181599.db2.gz WPODYBNTVVEHTL-UWVGGRQHSA-N -1 0 319.379 -0.050 20 0 DBADRM CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC001603386631 1018181800 /nfs/dbraw/zinc/18/18/00/1018181800.db2.gz AEIWWFBJJSKTNC-IUCAKERBSA-N -1 0 314.338 -0.195 20 0 DBADRM C[C@H]1CCN(C(=O)NCCOCCOCC(=O)[O-])C[C@@H]1CO ZINC001603421796 1018182624 /nfs/dbraw/zinc/18/26/24/1018182624.db2.gz KPEWWKKVLHNCBA-NWDGAFQWSA-N -1 0 318.370 -0.236 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])nn2C)CCS1(=O)=O ZINC001603425383 1018182823 /nfs/dbraw/zinc/18/28/23/1018182823.db2.gz MIWOSLGXUXGSFQ-MRVPVSSYSA-N -1 0 315.351 -0.233 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])[C@@H]1CO ZINC001603416140 1018183058 /nfs/dbraw/zinc/18/30/58/1018183058.db2.gz MJIYULCUFZMMTB-WDEREUQCSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)C[C@@H]1C(=O)[O-] ZINC001603426163 1018183751 /nfs/dbraw/zinc/18/37/51/1018183751.db2.gz BAQQOQQLSSYCTM-JLLWLGSASA-N -1 0 311.338 -0.581 20 0 DBADRM C[C@@H]1CCS(=O)(=O)CCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001603433164 1018183855 /nfs/dbraw/zinc/18/38/55/1018183855.db2.gz CSDDQEVHFRUOPJ-NXEZZACHSA-N -1 0 304.368 -0.819 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C[C@@H](CO)O1 ZINC001603440274 1018184488 /nfs/dbraw/zinc/18/44/88/1018184488.db2.gz VVRYICDGCYOQIA-KCJUWKMLSA-N -1 0 323.305 -0.674 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CCO1 ZINC001603438558 1018184665 /nfs/dbraw/zinc/18/46/65/1018184665.db2.gz AXLLTDWHURGYBB-JTQLQIEISA-N -1 0 314.338 -0.769 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(CCO)C2CCC2)CC[C@H]1C(=O)[O-] ZINC001603439525 1018184830 /nfs/dbraw/zinc/18/48/30/1018184830.db2.gz OYNXPYINASZWME-CMPLNLGQSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CCN(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1 ZINC001603426969 1018185042 /nfs/dbraw/zinc/18/50/42/1018185042.db2.gz OPRJBFIOWDASNR-UWVGGRQHSA-N -1 0 304.368 -0.962 20 0 DBADRM C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001603438891 1018185065 /nfs/dbraw/zinc/18/50/65/1018185065.db2.gz GLVJPHMNRNYUFE-NOOOWODRSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C[C@H](C)S1(=O)=O ZINC001603438749 1018185973 /nfs/dbraw/zinc/18/59/73/1018185973.db2.gz DWPFINWZPCTCPU-VDDIYKPWSA-N -1 0 305.352 -0.346 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001603449055 1018187958 /nfs/dbraw/zinc/18/79/58/1018187958.db2.gz JHOLFKGTMMRUGV-QMMMGPOBSA-N -1 0 315.326 -0.687 20 0 DBADRM C[C@@H](CC(C)(C)O)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001603451082 1018187976 /nfs/dbraw/zinc/18/79/76/1018187976.db2.gz HMIZMQTXQWTEHM-ZETCQYMHSA-N -1 0 323.357 -0.775 20 0 DBADRM C[C@@H]1CN(C(=S)NCCNS(C)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC001603461420 1018188440 /nfs/dbraw/zinc/18/84/40/1018188440.db2.gz PBVZMRQGEYFPQB-BDAKNGLRSA-N -1 0 323.440 -0.547 20 0 DBADRM C[C@@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)C[C@@H](CO)O1 ZINC001603454188 1018188464 /nfs/dbraw/zinc/18/84/64/1018188464.db2.gz QNGIBDXHJUJEGT-ZJUUUORDSA-N -1 0 310.306 -0.845 20 0 DBADRM C[C@H]1CN(CCNC(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001603461504 1018188703 /nfs/dbraw/zinc/18/87/03/1018188703.db2.gz PNAFVEZFQNKNDV-JTQLQIEISA-N -1 0 311.342 -0.190 20 0 DBADRM C[C@H]1CN(Cc2c(C(=O)[O-])cnn2C)CCS(=O)(=O)C1 ZINC001603461875 1018189092 /nfs/dbraw/zinc/18/90/92/1018189092.db2.gz UGTROPDBBZBDCH-VIFPVBQESA-N -1 0 301.368 -0.015 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001603462469 1018189817 /nfs/dbraw/zinc/18/98/17/1018189817.db2.gz ZNEDERYYCVVXPP-SECBINFHSA-N -1 0 319.383 -0.810 20 0 DBADRM CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC001603485087 1018191711 /nfs/dbraw/zinc/19/17/11/1018191711.db2.gz WSSRVAMQTNJRLG-DJLDLDEBSA-N -1 0 318.326 -0.770 20 0 DBADRM C[C@@H]1COCCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001603474415 1018191763 /nfs/dbraw/zinc/19/17/63/1018191763.db2.gz VFHNBJPRBKMBKD-JTQLQIEISA-N -1 0 319.379 -0.239 20 0 DBADRM CC[C@@H](C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)C(=O)OC ZINC001603487729 1018192598 /nfs/dbraw/zinc/19/25/98/1018192598.db2.gz AHIKKVRDCXISFA-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001603484165 1018192802 /nfs/dbraw/zinc/19/28/02/1018192802.db2.gz CGVRNLNOWXZEHI-RGOKHQFPSA-N -1 0 314.338 -0.054 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603473229 1018192913 /nfs/dbraw/zinc/19/29/13/1018192913.db2.gz KSLLKOVCAVMVFL-LLVKDONJSA-N -1 0 323.349 -0.617 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001603468103 1018194153 /nfs/dbraw/zinc/19/41/53/1018194153.db2.gz YTNUZRKYKCDMSE-XHNCKOQMSA-N -1 0 318.326 -0.770 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)OC)no1 ZINC001603501108 1018195894 /nfs/dbraw/zinc/19/58/94/1018195894.db2.gz STBUYVBVAVQSPM-SSDOTTSWSA-N -1 0 306.296 -0.055 20 0 DBADRM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)CNC(N)=O ZINC001603497458 1018196283 /nfs/dbraw/zinc/19/62/83/1018196283.db2.gz IPVPFSBXVYGZGH-ZETCQYMHSA-N -1 0 303.315 -0.654 20 0 DBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001603509465 1018196300 /nfs/dbraw/zinc/19/63/00/1018196300.db2.gz YSXCOTFTYMEXIJ-VIFPVBQESA-N -1 0 318.370 -0.352 20 0 DBADRM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)nc1)c1nnn[n-]1 ZINC001603505514 1018196716 /nfs/dbraw/zinc/19/67/16/1018196716.db2.gz LTEZSUPRZNQLMZ-ZETCQYMHSA-N -1 0 314.313 -0.350 20 0 DBADRM CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001603512172 1018197330 /nfs/dbraw/zinc/19/73/30/1018197330.db2.gz HEWSBYLFKLONOF-NXEZZACHSA-N -1 0 313.354 -0.660 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)CCS(=O)(=O)N(C)C ZINC001603501275 1018197357 /nfs/dbraw/zinc/19/73/57/1018197357.db2.gz YWVRXDMFTJTRSK-MRVPVSSYSA-N -1 0 316.401 -0.997 20 0 DBADRM CC[C@@H](CNC(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC001603561231 1018207180 /nfs/dbraw/zinc/20/71/80/1018207180.db2.gz KJSALLDTHBXYIY-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM CC[C@H](CNC(=O)C1=CN(C)S(=O)(=O)N=C1C)C(=O)[O-] ZINC001603550417 1018202241 /nfs/dbraw/zinc/20/22/41/1018202241.db2.gz KHLUPWIMRVGGEZ-MRVPVSSYSA-N -1 0 303.340 -0.252 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[C@@H]1O)C(=O)[O-] ZINC001603548877 1018203079 /nfs/dbraw/zinc/20/30/79/1018203079.db2.gz KUQQRQDSVXVODB-MXWKQRLJSA-N -1 0 300.355 -0.167 20 0 DBADRM CC[C@H](CS(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)OC ZINC001603574460 1018204385 /nfs/dbraw/zinc/20/43/85/1018204385.db2.gz APMOLXQEZVQIRP-UMNHJUIQSA-N -1 0 307.368 -0.226 20 0 DBADRM CC[C@@H](CNC(=O)Nc1n[nH]nc1C(=O)NC1CC1)C(=O)[O-] ZINC001603565589 1018205660 /nfs/dbraw/zinc/20/56/60/1018205660.db2.gz DSZYYYMXDURZHQ-LURJTMIESA-N -1 0 310.314 -0.071 20 0 DBADRM CC(C)(C)n1nnnc1CN1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001603574214 1018207937 /nfs/dbraw/zinc/20/79/37/1018207937.db2.gz LAYATWOINCHTCH-VHSXEESVSA-N -1 0 322.369 -0.551 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001603582322 1018209258 /nfs/dbraw/zinc/20/92/58/1018209258.db2.gz ISCNIPQHNPQKBH-GWCFXTLKSA-N -1 0 302.327 -0.770 20 0 DBADRM CC[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)[C@@H](O)C(F)(F)F ZINC001603582160 1018210370 /nfs/dbraw/zinc/21/03/70/1018210370.db2.gz FZEWPTFRGWQEOM-YLWLKBPMSA-N -1 0 310.232 -0.206 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001603582059 1018211945 /nfs/dbraw/zinc/21/19/45/1018211945.db2.gz FWVYBOYDYALEQF-QMMMGPOBSA-N -1 0 310.310 -0.035 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC001603594295 1018212105 /nfs/dbraw/zinc/21/21/05/1018212105.db2.gz SXRNRBXLHYBPKA-CYBMUJFWSA-N -1 0 318.395 -0.019 20 0 DBADRM CC(C)(CNC(=O)Nc1n[nH]nc1C(=O)NC1CC1)C(=O)[O-] ZINC001603632203 1018213606 /nfs/dbraw/zinc/21/36/06/1018213606.db2.gz JAOHQSABIWWOGY-UHFFFAOYSA-N -1 0 310.314 -0.071 20 0 DBADRM C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1cncs1 ZINC001603617906 1018213776 /nfs/dbraw/zinc/21/37/76/1018213776.db2.gz UQIPREPYZNKZRM-ZCFIWIBFSA-N -1 0 305.327 -0.208 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001603628197 1018214454 /nfs/dbraw/zinc/21/44/54/1018214454.db2.gz XLKAMKKPUNWTRZ-BXKDBHETSA-N -1 0 323.367 -0.119 20 0 DBADRM CC[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC001603618801 1018214918 /nfs/dbraw/zinc/21/49/18/1018214918.db2.gz WCQVKCQXZIQQJW-GMTAPVOTSA-N -1 0 314.338 -0.628 20 0 DBADRM CCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603627872 1018215183 /nfs/dbraw/zinc/21/51/83/1018215183.db2.gz LCVUTSZKVZASLN-CYBMUJFWSA-N -1 0 312.326 -0.427 20 0 DBADRM CCCCOC(=O)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603648496 1018215641 /nfs/dbraw/zinc/21/56/41/1018215641.db2.gz LRMGFMUPOPXQCP-JTQLQIEISA-N -1 0 314.338 -0.231 20 0 DBADRM CC(C)(CS(=O)(=O)NCC1N=NC(=O)N1C1CC1)C(=O)[O-] ZINC001603659895 1018217196 /nfs/dbraw/zinc/21/71/96/1018217196.db2.gz LXYFTSWJBOKTHA-UHFFFAOYSA-N -1 0 318.355 -0.151 20 0 DBADRM CC(C)(CS(=O)(=O)NCc1cnc2n1CCOC2)C(=O)[O-] ZINC001603659500 1018217518 /nfs/dbraw/zinc/21/75/18/1018217518.db2.gz BQFZFGUTWHUGEH-UHFFFAOYSA-N -1 0 317.367 -0.057 20 0 DBADRM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC001603678883 1018219006 /nfs/dbraw/zinc/21/90/06/1018219006.db2.gz OGEFKPVEGXOOML-HTQZYQBOSA-N -1 0 321.341 -0.107 20 0 DBADRM CC(C)(O)[C@H]1CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001603689663 1018221860 /nfs/dbraw/zinc/22/18/60/1018221860.db2.gz RSLXSGQYGJTEAM-VIFPVBQESA-N -1 0 311.342 -0.221 20 0 DBADRM CC(C)(O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001603687444 1018222608 /nfs/dbraw/zinc/22/26/08/1018222608.db2.gz GYXNXSYHJJDTAR-MNOVXSKESA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)(c1nnc(C(=O)NCCC(=O)[O-])o1)S(C)(=O)=O ZINC001603697420 1018224941 /nfs/dbraw/zinc/22/49/41/1018224941.db2.gz JBJAPRACNNOYGY-UHFFFAOYSA-N -1 0 305.312 -0.446 20 0 DBADRM C[C@@H](O)C[C@H](C)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001603696449 1018225165 /nfs/dbraw/zinc/22/51/65/1018225165.db2.gz RXXYCPAURDJILM-JGVFFNPUSA-N -1 0 312.355 -0.301 20 0 DBADRM CCCn1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cn1 ZINC001603698473 1018226362 /nfs/dbraw/zinc/22/63/62/1018226362.db2.gz CQOQOUJZHVJDFZ-SNVBAGLBSA-N -1 0 315.351 -0.383 20 0 DBADRM C[C@@H](O)C[C@@H](C)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001603696432 1018227063 /nfs/dbraw/zinc/22/70/63/1018227063.db2.gz RXXYCPAURDJILM-HTQZYQBOSA-N -1 0 312.355 -0.301 20 0 DBADRM CC(C)=CC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001603706936 1018229702 /nfs/dbraw/zinc/22/97/02/1018229702.db2.gz OTBLZVSLJAWYCO-ZJUUUORDSA-N -1 0 306.322 -0.193 20 0 DBADRM CCN(C(=O)C(=O)Nc1cc(C)c(=O)n(C)c1)[C@H](C)C(=O)[O-] ZINC001603701638 1018230605 /nfs/dbraw/zinc/23/06/05/1018230605.db2.gz OZCDTQNSOWUQHS-SECBINFHSA-N -1 0 309.322 -0.046 20 0 DBADRM CCN(C(=O)CCN1C(=O)CCNC1=S)[C@@H](C)C(=O)[O-] ZINC001603714301 1018231203 /nfs/dbraw/zinc/23/12/03/1018231203.db2.gz ZSFSTECQRRFANV-QMMMGPOBSA-N -1 0 301.368 -0.195 20 0 DBADRM CC(C)[C@@H](CNC(=O)CC(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001603722960 1018232261 /nfs/dbraw/zinc/23/22/61/1018232261.db2.gz SCPAMNFAZIITGC-SECBINFHSA-N -1 0 309.326 -0.397 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001603740016 1018233412 /nfs/dbraw/zinc/23/34/12/1018233412.db2.gz FZXKFJOCXPEEJJ-NXEZZACHSA-N -1 0 304.368 -0.150 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001603761631 1018234982 /nfs/dbraw/zinc/23/49/82/1018234982.db2.gz MIGSQLSOCFATJR-SNVBAGLBSA-N -1 0 311.342 -0.600 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001603763395 1018235018 /nfs/dbraw/zinc/23/50/18/1018235018.db2.gz BSRPBLZFHKEWDA-UHFFFAOYSA-N -1 0 309.366 -0.312 20 0 DBADRM CC1(C)[C@H](O)CCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001603756010 1018235322 /nfs/dbraw/zinc/23/53/22/1018235322.db2.gz DXOJXEYPUPEAOG-SECBINFHSA-N -1 0 324.366 -0.204 20 0 DBADRM CCN1CC[C@H]1CNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001603760404 1018235617 /nfs/dbraw/zinc/23/56/17/1018235617.db2.gz QMJDRXJZMGLAKK-NSHDSACASA-N -1 0 311.382 -0.090 20 0 DBADRM CCN1CC[C@@H]1CNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001603760403 1018235996 /nfs/dbraw/zinc/23/59/96/1018235996.db2.gz QMJDRXJZMGLAKK-LLVKDONJSA-N -1 0 311.382 -0.090 20 0 DBADRM CCN1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001603760444 1018236235 /nfs/dbraw/zinc/23/62/35/1018236235.db2.gz SSSQLWWNWWEDBZ-VXGBXAGGSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@@]1(C(N)=O)CCN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001603755513 1018236301 /nfs/dbraw/zinc/23/63/01/1018236301.db2.gz QPUIULMRIBGLOZ-CQSZACIVSA-N -1 0 316.321 -0.090 20 0 DBADRM CCN1C[C@@H](NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1=O ZINC001603757365 1018236345 /nfs/dbraw/zinc/23/63/45/1018236345.db2.gz XZUXSCNVBOSZIG-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001603771269 1018238338 /nfs/dbraw/zinc/23/83/38/1018238338.db2.gz ACOCFCULQQPXBW-AEJSXWLSSA-N -1 0 319.383 -0.427 20 0 DBADRM CC(C)C[C@H](CNC(=O)C1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001603770169 1018238554 /nfs/dbraw/zinc/23/85/54/1018238554.db2.gz OQWQNCMTTWHRKP-SECBINFHSA-N -1 0 306.384 -0.259 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CC[C@H](CO)[C@@H](O)C1)C(=O)[O-] ZINC001603776294 1018238743 /nfs/dbraw/zinc/23/87/43/1018238743.db2.gz MNAHOTKLCAJFNL-WOPDTQHZSA-N -1 0 302.371 -0.723 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCCC(=O)[O-] ZINC001603780441 1018239401 /nfs/dbraw/zinc/23/94/01/1018239401.db2.gz POXJZUZTYSWRKP-BDAKNGLRSA-N -1 0 302.327 -0.186 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCN(C)C[C@H]1CO)C(=O)[O-] ZINC001603777106 1018239939 /nfs/dbraw/zinc/23/99/39/1018239939.db2.gz ZVAYEUZYROSYBM-NWDGAFQWSA-N -1 0 301.387 -0.790 20 0 DBADRM CCNC(=O)CN(CC)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603767953 1018240135 /nfs/dbraw/zinc/24/01/35/1018240135.db2.gz IRRBGCIFPIXCND-SNVBAGLBSA-N -1 0 313.354 -0.706 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)CS(C)(=O)=O)C(=O)[O-] ZINC001603776697 1018240220 /nfs/dbraw/zinc/24/02/20/1018240220.db2.gz KSUPMXUFUDZAGI-QMMMGPOBSA-N -1 0 309.340 -0.810 20 0 DBADRM CC(C)C[C@@H]1CN(C)CCN1C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001603784768 1018241408 /nfs/dbraw/zinc/24/14/08/1018241408.db2.gz NVVIQLYTQTVXOK-MNOVXSKESA-N -1 0 317.361 -0.286 20 0 DBADRM CCOC(=O)C[C@H](C)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603793418 1018241690 /nfs/dbraw/zinc/24/16/90/1018241690.db2.gz HJRXJDNUHOCXIG-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM CCOC(=O)C[C@H](CO)NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001603793084 1018242265 /nfs/dbraw/zinc/24/22/65/1018242265.db2.gz AWENOCBVSGRFTF-AXFHLTTASA-N -1 0 317.338 -0.313 20 0 DBADRM CC(C)CN1C[C@H](C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CC1=O ZINC001603814541 1018244486 /nfs/dbraw/zinc/24/44/86/1018244486.db2.gz JEQYVVUIXADNRD-MNOVXSKESA-N -1 0 323.353 -0.648 20 0 DBADRM CCOC(=O)c1snc2c1ncn(CC(=O)C(=O)[O-])c2=O ZINC001603823879 1018244780 /nfs/dbraw/zinc/24/47/80/1018244780.db2.gz MANPMVFKAPVANG-UHFFFAOYSA-N -1 0 311.275 -0.317 20 0 DBADRM C[C@]1(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO[C@H]1C1CC1 ZINC001603813354 1018245278 /nfs/dbraw/zinc/24/52/78/1018245278.db2.gz HRJSCQAEHHEERJ-GWCFXTLKSA-N -1 0 318.341 -0.468 20 0 DBADRM CC(C)COC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001603822330 1018246702 /nfs/dbraw/zinc/24/67/02/1018246702.db2.gz MYEHHTJNSPKXRT-ZETCQYMHSA-N -1 0 319.339 -0.026 20 0 DBADRM CCOC(=O)c1n[nH]c([C@H](C)NC(=O)[C@@H](OC)C(=O)[O-])n1 ZINC001603819333 1018247299 /nfs/dbraw/zinc/24/72/99/1018247299.db2.gz VANJHFMPYKPJKA-NTSWFWBYSA-N -1 0 300.271 -0.742 20 0 DBADRM CC(C)CNC(=O)CNC(=O)COCc1ocnc1C(=O)[O-] ZINC001603817300 1018247771 /nfs/dbraw/zinc/24/77/71/1018247771.db2.gz QYXVSDVUKSHMGP-UHFFFAOYSA-N -1 0 313.310 -0.222 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001603830224 1018248863 /nfs/dbraw/zinc/24/88/63/1018248863.db2.gz LEGFENBXNRDFEA-MNOVXSKESA-N -1 0 321.395 -0.089 20 0 DBADRM CC1CC(NC(=O)CCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001603854664 1018252733 /nfs/dbraw/zinc/25/27/33/1018252733.db2.gz YMTDQOFBKZBNKI-UHFFFAOYSA-N -1 0 319.325 -0.566 20 0 DBADRM C/C=C(\C)C(=O)NC[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001500160090 1018255091 /nfs/dbraw/zinc/25/50/91/1018255091.db2.gz TUAWVGLZSIVPTC-SXPLAPADSA-N -1 0 311.342 -0.476 20 0 DBADRM C[C@H]1C[C@H](CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001603845402 1018255717 /nfs/dbraw/zinc/25/57/17/1018255717.db2.gz CVOLXBGBQBEMFP-VHSXEESVSA-N -1 0 320.357 -0.220 20 0 DBADRM CC(C)N1C[C@H](NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1=O ZINC001603887871 1018257574 /nfs/dbraw/zinc/25/75/74/1018257574.db2.gz YZVIYFCCALMQQH-KXUCPTDWSA-N -1 0 311.338 -0.909 20 0 DBADRM CCS(=O)(=O)CC(=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001603885059 1018257602 /nfs/dbraw/zinc/25/76/02/1018257602.db2.gz CMPOCKSMWYHSOB-UHFFFAOYSA-N -1 0 317.323 -0.515 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1=O ZINC001603887849 1018257688 /nfs/dbraw/zinc/25/76/88/1018257688.db2.gz YZVIYFCCALMQQH-AEJSXWLSSA-N -1 0 311.338 -0.909 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1=O ZINC001603888582 1018258874 /nfs/dbraw/zinc/25/88/74/1018258874.db2.gz ZJDUMGJDHPAXDX-OPRDCNLKSA-N -1 0 311.338 -0.909 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001603894828 1018259804 /nfs/dbraw/zinc/25/98/04/1018259804.db2.gz VFBLVFKKMRGLGH-JOYOIKCWSA-N -1 0 322.383 -0.736 20 0 DBADRM CC(C)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)CC1=O ZINC001603897058 1018260068 /nfs/dbraw/zinc/26/00/68/1018260068.db2.gz YNADRNJEFPRSKW-UHFFFAOYSA-N -1 0 317.323 -0.386 20 0 DBADRM CC(C)NC(=O)[C@H](C)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001603896902 1018260373 /nfs/dbraw/zinc/26/03/73/1018260373.db2.gz NLAPXDRVYTXCCV-QMMMGPOBSA-N -1 0 315.351 -0.029 20 0 DBADRM CC(C)NC(=O)[C@@H](C)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001603897071 1018260877 /nfs/dbraw/zinc/26/08/77/1018260877.db2.gz YWUZXUICWKGGEY-SECBINFHSA-N -1 0 309.322 -0.424 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001603895257 1018261279 /nfs/dbraw/zinc/26/12/79/1018261279.db2.gz QURAEKMQLWAADX-MRVPVSSYSA-N -1 0 314.385 -0.476 20 0 DBADRM CC(C)N1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1=O ZINC001603896689 1018261559 /nfs/dbraw/zinc/26/15/59/1018261559.db2.gz ALFWVADOMSVDOZ-UHFFFAOYSA-N -1 0 306.384 -0.020 20 0 DBADRM CC(C)OCC(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1O ZINC001603917052 1018262571 /nfs/dbraw/zinc/26/25/71/1018262571.db2.gz UNDFNLFEAGWFTQ-GHMZBOCLSA-N -1 0 324.337 -0.735 20 0 DBADRM CC(C)OCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001603917089 1018262925 /nfs/dbraw/zinc/26/29/25/1018262925.db2.gz WWQAUUSZWJGJRR-AWEZNQCLSA-N -1 0 300.355 -0.201 20 0 DBADRM C[C@H]1CSC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001603946279 1018266147 /nfs/dbraw/zinc/26/61/47/1018266147.db2.gz ALOQXEWBWUXBJV-NTSWFWBYSA-N -1 0 309.355 -0.171 20 0 DBADRM C[C@@H]1CN(CCNc2ccnc(-c3nnn[n-]3)n2)[C@@H](C)CO1 ZINC001603936131 1018266375 /nfs/dbraw/zinc/26/63/75/1018266375.db2.gz HWQUNECRVAFBLM-VHSXEESVSA-N -1 0 304.358 -0.400 20 0 DBADRM C[C@@]1(NC(=O)Cc2ccon2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500200710 1018268324 /nfs/dbraw/zinc/26/83/24/1018268324.db2.gz PTKKFAFGAFFQCP-CYBMUJFWSA-N -1 0 306.326 -0.178 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)C(N)=O ZINC001603967623 1018268187 /nfs/dbraw/zinc/26/81/87/1018268187.db2.gz XRNZFTFYIRHHLJ-SECBINFHSA-N -1 0 301.324 -0.432 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001603960062 1018270575 /nfs/dbraw/zinc/27/05/75/1018270575.db2.gz VPFNHJOOIUKJMK-GFCCVEGCSA-N -1 0 307.368 -0.050 20 0 DBADRM CC(C)S(=O)(=O)CCCN1[C@@H](C(=O)[O-])CCS1(=O)=O ZINC001603959944 1018271407 /nfs/dbraw/zinc/27/14/07/1018271407.db2.gz LWDQJQVCHSFSFX-SECBINFHSA-N -1 0 313.397 -0.312 20 0 DBADRM CCC(=O)Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C2CC2)c1=O ZINC001603968021 1018271506 /nfs/dbraw/zinc/27/15/06/1018271506.db2.gz SBWVYLAKNBIFEL-UHFFFAOYSA-N -1 0 304.310 -0.187 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC(=O)N[C@@H]2CCCC[C@H]21)C(=O)[O-] ZINC001603973267 1018275289 /nfs/dbraw/zinc/27/52/89/1018275289.db2.gz WPIZFHCBGRDBPE-GYSYKLTISA-N -1 0 311.382 -0.045 20 0 DBADRM CCC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001603974326 1018275627 /nfs/dbraw/zinc/27/56/27/1018275627.db2.gz DZKDKRKRWUKCSW-DTORHVGOSA-N -1 0 302.342 -0.205 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC[C@H]1C(=O)NC1CC1)C(=O)[O-] ZINC001603973310 1018276116 /nfs/dbraw/zinc/27/61/16/1018276116.db2.gz XGDZAQSXBGTCSL-AAEUAGOBSA-N -1 0 311.382 -0.045 20 0 DBADRM CC(C)[C@H](NC(=O)CN1C[C@H](CO)OC(C)(C)C1)C(=O)[O-] ZINC001603973131 1018276409 /nfs/dbraw/zinc/27/64/09/1018276409.db2.gz UDTHKIYPLYELCK-PWSUYJOCSA-N -1 0 302.371 -0.317 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)CN1CCCCC1=O)C(=O)[O-] ZINC001603973004 1018276515 /nfs/dbraw/zinc/27/65/15/1018276515.db2.gz ACZOVDHJPLBZSA-ZDUSSCGKSA-N -1 0 314.338 -0.233 20 0 DBADRM CCn1ncc(CNC(=O)N2CC[C@](COC)(C(=O)[O-])C2)n1 ZINC001604025003 1018278451 /nfs/dbraw/zinc/27/84/51/1018278451.db2.gz YYUGQFCNEIFJJJ-ZDUSSCGKSA-N -1 0 311.342 -0.069 20 0 DBADRM CC[C@@](C)(CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)OC ZINC001603987772 1018279474 /nfs/dbraw/zinc/27/94/74/1018279474.db2.gz YMZCDUGDRNMWRL-PELKAZGASA-N -1 0 308.346 -0.050 20 0 DBADRM CCc1noc(COCC(=O)NC2(C(=O)[O-])CCOCC2)n1 ZINC001603994093 1018279629 /nfs/dbraw/zinc/27/96/29/1018279629.db2.gz OPBJYQKQWWXBKU-UHFFFAOYSA-N -1 0 313.310 -0.101 20 0 DBADRM CCn1cnnc1CCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001604018404 1018279831 /nfs/dbraw/zinc/27/98/31/1018279831.db2.gz QFYWAKRGDFANQH-UHFFFAOYSA-N -1 0 319.321 -0.483 20 0 DBADRM CCN1C(=O)N=NC1C1CCN(C(=O)[C@@H](OC)C(=O)[O-])CC1 ZINC001604009068 1018280326 /nfs/dbraw/zinc/28/03/26/1018280326.db2.gz YGWRVYQDRBBMML-SECBINFHSA-N -1 0 312.326 -0.191 20 0 DBADRM CC[C@H](C)[C@H](OC)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603998132 1018280465 /nfs/dbraw/zinc/28/04/65/1018280465.db2.gz CCSYFHWKZYXATB-IUCAKERBSA-N -1 0 308.346 -0.365 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)[C@]2(C(=O)[O-])CCCO2)cn1 ZINC001604040475 1018282324 /nfs/dbraw/zinc/28/23/24/1018282324.db2.gz CEXWPXJBRKGNNU-ZDUSSCGKSA-N -1 0 310.310 -0.456 20 0 DBADRM CC(C)n1cc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)cn1 ZINC001604035691 1018282722 /nfs/dbraw/zinc/28/27/22/1018282722.db2.gz FXOYQIVZIMBLFY-UHFFFAOYSA-N -1 0 324.337 -0.159 20 0 DBADRM CC[C@H](CN1CCOCC1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001604029693 1018282939 /nfs/dbraw/zinc/28/29/39/1018282939.db2.gz UQLMBSDKMMKUIS-SNVBAGLBSA-N -1 0 304.358 -0.399 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)n1 ZINC001604040622 1018283588 /nfs/dbraw/zinc/28/35/88/1018283588.db2.gz JJBVIRLMJQGUBU-KYZUINATSA-N -1 0 309.326 -0.044 20 0 DBADRM CN(C)C(=O)[C@H]1CSCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001604040526 1018284145 /nfs/dbraw/zinc/28/41/45/1018284145.db2.gz CMXKBIBBEXFNMS-HTQZYQBOSA-N -1 0 301.324 -0.794 20 0 DBADRM CN(C)C(=O)CCn1nnnc1N1CCC[C@H](CC(=O)[O-])C1 ZINC001604040652 1018284232 /nfs/dbraw/zinc/28/42/32/1018284232.db2.gz HNECUECLKNAEFE-SNVBAGLBSA-N -1 0 310.358 -0.158 20 0 DBADRM CN(C(=O)c1ccc(C(=O)[O-])nc1)N1CCS(=O)(=O)CC1 ZINC001604035365 1018284462 /nfs/dbraw/zinc/28/44/62/1018284462.db2.gz PULCUQQGWQLKOX-UHFFFAOYSA-N -1 0 313.335 -0.503 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)[C@@]2(C(=O)[O-])CCCO2)cn1 ZINC001604040473 1018284497 /nfs/dbraw/zinc/28/44/97/1018284497.db2.gz CEXWPXJBRKGNNU-CYBMUJFWSA-N -1 0 310.310 -0.456 20 0 DBADRM CN(C)CCN(CC(=O)[O-])C(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001604057993 1018286863 /nfs/dbraw/zinc/28/68/63/1018286863.db2.gz CWLWNWROWIGDSC-JTQLQIEISA-N -1 0 304.368 -0.590 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1coc(CS(C)(=O)=O)n1 ZINC001604058884 1018288112 /nfs/dbraw/zinc/28/81/12/1018288112.db2.gz HXQYRXFAKTUPPD-KFOINNEUSA-N -1 0 302.308 -0.022 20 0 DBADRM CC(C)n1[nH]cnc1=NC(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001604048003 1018288144 /nfs/dbraw/zinc/28/81/44/1018288144.db2.gz ITDDRNPHNPPWRP-SNVBAGLBSA-N -1 0 323.353 -0.164 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC001604053181 1018288753 /nfs/dbraw/zinc/28/87/53/1018288753.db2.gz GXGVFURZDVQSSK-AJCRVFRXSA-N -1 0 306.282 -0.067 20 0 DBADRM C[C@H](CC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-])NC(N)=O ZINC001604068505 1018289859 /nfs/dbraw/zinc/28/98/59/1018289859.db2.gz FZUUWGZLJMQKFY-OPRDCNLKSA-N -1 0 301.343 -0.181 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN1CC[C@H](C(=O)[O-])C1 ZINC001604083456 1018290370 /nfs/dbraw/zinc/29/03/70/1018290370.db2.gz JZRRXHWPWWPVHD-VIFPVBQESA-N -1 0 302.356 -0.556 20 0 DBADRM CC[C@@H](OC)C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001604070985 1018290518 /nfs/dbraw/zinc/29/05/18/1018290518.db2.gz XRFHNPKSGAGOFR-MRVPVSSYSA-N -1 0 306.330 -0.968 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001604075661 1018292347 /nfs/dbraw/zinc/29/23/47/1018292347.db2.gz PXZVHOCRAPYEJP-MRVPVSSYSA-N -1 0 309.388 -0.755 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)C[C@@H]1NC(=O)NC1=O)c1cccnc1 ZINC001604077945 1018292836 /nfs/dbraw/zinc/29/28/36/1018292836.db2.gz NVCKNEUFUAYCOG-XPTSAGLGSA-N -1 0 320.305 -0.514 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001604075462 1018292887 /nfs/dbraw/zinc/29/28/87/1018292887.db2.gz IMJPESKHVPGJHM-ARJAWSKDSA-N -1 0 316.335 -0.001 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)c1cnn(C[C@H](O)CO)c1)C1CC1 ZINC001604088681 1018294484 /nfs/dbraw/zinc/29/44/84/1018294484.db2.gz XIHOYOYDVQOPJL-FZMZJTMJSA-N -1 0 311.338 -0.391 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)c1cnn(C[C@@H](O)CO)c1)C1CC1 ZINC001604088682 1018295157 /nfs/dbraw/zinc/29/51/57/1018295157.db2.gz XIHOYOYDVQOPJL-RISCZKNCSA-N -1 0 311.338 -0.391 20 0 DBADRM CN(C)c1ccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cn1 ZINC001604091289 1018295570 /nfs/dbraw/zinc/29/55/70/1018295570.db2.gz UXQFSHVNEYKUAL-NSHDSACASA-N -1 0 313.379 -0.169 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)NCc1nnc2ccc(N(C)C)nn21 ZINC001604095128 1018295624 /nfs/dbraw/zinc/29/56/24/1018295624.db2.gz PPMZWLBDPGKGTR-QMMMGPOBSA-N -1 0 306.326 -0.083 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001604104466 1018295671 /nfs/dbraw/zinc/29/56/71/1018295671.db2.gz NFRKBFDHERUKJU-RNCFNFMXSA-N -1 0 300.311 -0.175 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N(C)Cc1nnc2n1CCNC2=O ZINC001604103874 1018295993 /nfs/dbraw/zinc/29/59/93/1018295993.db2.gz OOVZTKOLPZGZCD-QMMMGPOBSA-N -1 0 309.326 -0.519 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001604124802 1018298734 /nfs/dbraw/zinc/29/87/34/1018298734.db2.gz RNBZQFNTDACECG-MCIGGMRASA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)Cc2ccno2)CC1 ZINC001604114158 1018299481 /nfs/dbraw/zinc/29/94/81/1018299481.db2.gz FJIBWIXPGUYEDF-JTQLQIEISA-N -1 0 317.367 -0.015 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001604124245 1018300185 /nfs/dbraw/zinc/30/01/85/1018300185.db2.gz FFBFYURNYXFWSQ-RYUDHWBXSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)Cc2ccno2)CC1 ZINC001604114159 1018300472 /nfs/dbraw/zinc/30/04/72/1018300472.db2.gz FJIBWIXPGUYEDF-SNVBAGLBSA-N -1 0 317.367 -0.015 20 0 DBADRM CN(CC(=O)[O-])Cc1cn(CC(=O)N(C)CC(F)(F)F)nn1 ZINC001604113823 1018301122 /nfs/dbraw/zinc/30/11/22/1018301122.db2.gz GNDWEEPPWRKBOR-UHFFFAOYSA-N -1 0 323.275 -0.185 20 0 DBADRM C[C@@](CCF)(NC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)[O-] ZINC001604140508 1018303076 /nfs/dbraw/zinc/30/30/76/1018303076.db2.gz ROYMVBWVEPEIQA-LBPRGKRZSA-N -1 0 303.290 -0.364 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001604133768 1018302628 /nfs/dbraw/zinc/30/26/28/1018302628.db2.gz HSJNJZLIQAPZRD-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001604125650 1018302964 /nfs/dbraw/zinc/30/29/64/1018302964.db2.gz XDNLRJIXUODSOE-RKDXNWHRSA-N -1 0 321.337 -0.619 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H]1CCNC1=O)Nc1ncc(C(=O)[O-])cn1 ZINC001604141168 1018304427 /nfs/dbraw/zinc/30/44/27/1018304427.db2.gz NHFRALFGKQJBKF-WPRPVWTQSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)C1(C(N)=O)CC1 ZINC001604142815 1018304918 /nfs/dbraw/zinc/30/49/18/1018304918.db2.gz YWZCJFAJSDSMKD-MRVPVSSYSA-N -1 0 321.337 -0.253 20 0 DBADRM C[C@H](CN(C)C(=O)CCCC(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001604154125 1018307113 /nfs/dbraw/zinc/30/71/13/1018307113.db2.gz CXSRRECMXQKSJA-SECBINFHSA-N -1 0 323.353 -0.489 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-])S(C)(=O)=O ZINC001604169972 1018308557 /nfs/dbraw/zinc/30/85/57/1018308557.db2.gz XSQKHKYVJFCLQW-RKDXNWHRSA-N -1 0 320.367 -0.999 20 0 DBADRM CN(CCCCCO)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001604167676 1018308586 /nfs/dbraw/zinc/30/85/86/1018308586.db2.gz YBJUWDMUOMDRLG-UHFFFAOYSA-N -1 0 321.395 -0.113 20 0 DBADRM C[C@H](CN1C(=O)N[C@H](CCC(=O)[O-])C1=O)CN1CCOCC1 ZINC001604167520 1018309055 /nfs/dbraw/zinc/30/90/55/1018309055.db2.gz POIYKPXMBUREMJ-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001604159491 1018309327 /nfs/dbraw/zinc/30/93/27/1018309327.db2.gz UVGHTTQAESLGQY-IUCAKERBSA-N -1 0 321.337 -0.606 20 0 DBADRM CN(CCCCO)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001604168284 1018309450 /nfs/dbraw/zinc/30/94/50/1018309450.db2.gz ARHASGAXPFTWRM-LLVKDONJSA-N -1 0 300.355 -0.069 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)C1CC1 ZINC001604168169 1018309495 /nfs/dbraw/zinc/30/94/95/1018309495.db2.gz GQNMYKALXKIMBU-RFAUZJTJSA-N -1 0 323.349 -0.019 20 0 DBADRM C[C@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1COCCO1 ZINC001604158981 1018309506 /nfs/dbraw/zinc/30/95/06/1018309506.db2.gz HKYCJFASBCWJFT-KOLCDFICSA-N -1 0 324.337 -0.469 20 0 DBADRM C[C@@H](CN1CCOCC1)C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001604166840 1018309691 /nfs/dbraw/zinc/30/96/91/1018309691.db2.gz HPBFLOFLRGWZNA-SMDDNHRTSA-N -1 0 300.355 -0.295 20 0 DBADRM C[C@@H](CN(C1CC1)S(=O)(=O)N1CCN(C)CC1)C(=O)[O-] ZINC001604159494 1018309863 /nfs/dbraw/zinc/30/98/63/1018309863.db2.gz UWNVRVMJINPUCC-JTQLQIEISA-N -1 0 305.400 -0.336 20 0 DBADRM C[C@H](CN1CCC[C@H]1C(=O)NCC(=O)[O-])CS(C)(=O)=O ZINC001604164477 1018310677 /nfs/dbraw/zinc/31/06/77/1018310677.db2.gz BCEDSDQOVKPJRA-ZJUUUORDSA-N -1 0 306.384 -0.668 20 0 DBADRM C[C@@H](CNC(=O)CCNC(N)=O)N(C)c1ccnc(C(=O)[O-])n1 ZINC001604174576 1018311239 /nfs/dbraw/zinc/31/12/39/1018311239.db2.gz YLUFTAJTPPPXOE-QMMMGPOBSA-N -1 0 324.341 -0.826 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)Nc1ncc(C(=O)[O-])cn1 ZINC001604172695 1018311656 /nfs/dbraw/zinc/31/16/56/1018311656.db2.gz AXCRWZFMUKCOCK-BDAKNGLRSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)Nc1ccnc(C(=O)[O-])n1 ZINC001604172912 1018312850 /nfs/dbraw/zinc/31/28/50/1018312850.db2.gz IQMSBEVDLBIZAM-DTWKUNHWSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@@H](CNC(=O)[C@]1(C)CCNC1=O)Nc1ncc(C(=O)[O-])cn1 ZINC001604172683 1018313096 /nfs/dbraw/zinc/31/30/96/1018313096.db2.gz AOCNWDVKMGDTGX-RMLUDKJBSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H](CNC(=O)C1=COCCO1)Nc1ncc(C(=O)[O-])cn1 ZINC001604173024 1018313124 /nfs/dbraw/zinc/31/31/24/1018313124.db2.gz KVFKKERVIGTVRJ-QMMMGPOBSA-N -1 0 308.294 -0.020 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001604180892 1018314137 /nfs/dbraw/zinc/31/41/37/1018314137.db2.gz YQGXQSFZCANYHB-RKDXNWHRSA-N -1 0 308.356 -0.997 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001604180881 1018314271 /nfs/dbraw/zinc/31/42/71/1018314271.db2.gz YQGXQSFZCANYHB-BDAKNGLRSA-N -1 0 308.356 -0.997 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)[C@H]1COCCO1 ZINC001604190812 1018314670 /nfs/dbraw/zinc/31/46/70/1018314670.db2.gz OSUCAGYOCMSOJY-VHSXEESVSA-N -1 0 324.337 -0.729 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1ccnc(C(=O)[O-])n1 ZINC001604181384 1018315491 /nfs/dbraw/zinc/31/54/91/1018315491.db2.gz VRLDAYQSWODQKL-BDAKNGLRSA-N -1 0 321.337 -0.606 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)[C@@H]1COCCO1 ZINC001604190813 1018315642 /nfs/dbraw/zinc/31/56/42/1018315642.db2.gz OSUCAGYOCMSOJY-ZJUUUORDSA-N -1 0 324.337 -0.729 20 0 DBADRM C[C@@](CO)(NC(=O)CCCNC(=O)c1cccnc1)C(=O)[O-] ZINC001604190571 1018315730 /nfs/dbraw/zinc/31/57/30/1018315730.db2.gz JKSSZZYOQOIXGW-AWEZNQCLSA-N -1 0 309.322 -0.457 20 0 DBADRM CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001604194678 1018316862 /nfs/dbraw/zinc/31/68/62/1018316862.db2.gz ARUPPHLEUQIZQH-CQSZACIVSA-N -1 0 319.321 -0.123 20 0 DBADRM C[C@@](CO)(NC(=O)CNC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC001604192014 1018317034 /nfs/dbraw/zinc/31/70/34/1018317034.db2.gz STZKBLHFVZPKIF-HNNXBMFYSA-N -1 0 319.317 -0.151 20 0 DBADRM C[C@@](CO)(NC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O)C(=O)[O-] ZINC001604191383 1018317205 /nfs/dbraw/zinc/31/72/05/1018317205.db2.gz OCHAKSBURCKHEK-LRDDRELGSA-N -1 0 320.345 -0.013 20 0 DBADRM C[C@](CO)(NC(=O)CCn1nnc2ccccc2c1=O)C(=O)[O-] ZINC001604191392 1018317604 /nfs/dbraw/zinc/31/76/04/1018317604.db2.gz ODAXHTGMQAEURU-CQSZACIVSA-N -1 0 320.305 -0.867 20 0 DBADRM CN1C(=O)CN(CC(=O)NCc2cccc(C(=O)[O-])c2)C1=O ZINC001604195409 1018317630 /nfs/dbraw/zinc/31/76/30/1018317630.db2.gz AXGOIWWEGGZGQL-UHFFFAOYSA-N -1 0 305.290 -0.105 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)OCC(=O)NCC(=O)[O-])c2ccccc21 ZINC001604197139 1018317650 /nfs/dbraw/zinc/31/76/50/1018317650.db2.gz ZKGAHLQLGGXYPR-SNVBAGLBSA-N -1 0 320.301 -0.119 20 0 DBADRM C[C@@](CO)(NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)[O-] ZINC001604193301 1018317702 /nfs/dbraw/zinc/31/77/02/1018317702.db2.gz JRZAHNNWALQDPA-HNNXBMFYSA-N -1 0 320.301 -0.095 20 0 DBADRM CN(Cc1cn(C)nn1)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001604197361 1018317909 /nfs/dbraw/zinc/31/79/09/1018317909.db2.gz SYFCHCIGFGJNSO-UHFFFAOYSA-N -1 0 318.293 -0.495 20 0 DBADRM CN1C(=O)NCC12CCN(C(=O)[C@]1(C(=O)[O-])CCCO1)CC2 ZINC001604196998 1018318181 /nfs/dbraw/zinc/31/81/81/1018318181.db2.gz SSVMIVCEFMTBOF-AWEZNQCLSA-N -1 0 311.338 -0.364 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1ccc2c(c1)C(=O)CC2)C(=O)[O-] ZINC001604199202 1018319636 /nfs/dbraw/zinc/31/96/36/1018319636.db2.gz VPMYWTRMQOWBHA-ZDUSSCGKSA-N -1 0 313.331 -0.071 20 0 DBADRM C[C@@H](CO[C@@H]1CCOC1)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001604202129 1018319723 /nfs/dbraw/zinc/31/97/23/1018319723.db2.gz DLGDFIDQTRRDDA-IRCOFANPSA-N -1 0 316.354 -0.031 20 0 DBADRM CN1CC[C@@H](C(=O)O[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1=O ZINC001604202582 1018320238 /nfs/dbraw/zinc/32/02/38/1018320238.db2.gz HPMFUEFIAJJAOR-NXEZZACHSA-N -1 0 312.322 -0.526 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)Cc1ccc(Cl)nc1)C(=O)[O-] ZINC001604198644 1018321165 /nfs/dbraw/zinc/32/11/65/1018321165.db2.gz KPMSTKCNQDKJAH-JTQLQIEISA-N -1 0 308.743 -0.010 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)C(=O)[O-] ZINC001604206490 1018322910 /nfs/dbraw/zinc/32/29/10/1018322910.db2.gz LUHHFUJDUHVQIO-MNOVXSKESA-N -1 0 322.427 -0.186 20 0 DBADRM C[C@H](CS(=O)(=O)N(CC(N)=O)C1CCOCC1)C(=O)[O-] ZINC001604206637 1018322992 /nfs/dbraw/zinc/32/29/92/1018322992.db2.gz QAWOBWDTVNMICN-MRVPVSSYSA-N -1 0 308.356 -0.997 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1)C(=O)[O-] ZINC001604210657 1018324051 /nfs/dbraw/zinc/32/40/51/1018324051.db2.gz NXKLHNDEOWWGST-XHNCKOQMSA-N -1 0 306.340 -0.533 20 0 DBADRM C[C@@H](CS(=O)(=O)NCC1(C2(O)CCOCC2)CC1)C(=O)[O-] ZINC001604212058 1018324838 /nfs/dbraw/zinc/32/48/38/1018324838.db2.gz XRXFPDKDQBOQIU-JTQLQIEISA-N -1 0 321.395 -0.052 20 0 DBADRM CCCNC(=O)NC(=O)COc1cnc(-c2nnn[n-]2)nc1 ZINC001604222556 1018325966 /nfs/dbraw/zinc/32/59/66/1018325966.db2.gz ZBJVGZBJGPUWFU-UHFFFAOYSA-N -1 0 306.286 -0.729 20 0 DBADRM CCCN(CCO)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604211664 1018327947 /nfs/dbraw/zinc/32/79/47/1018327947.db2.gz QOZDIOGNJLTOTP-UHFFFAOYSA-N -1 0 301.328 -0.147 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)C2(C(=O)[O-])CC=CC2)CCO1 ZINC001604241097 1018329221 /nfs/dbraw/zinc/32/92/21/1018329221.db2.gz SDXKJFNOBNSUST-JTQLQIEISA-N -1 0 311.338 -0.436 20 0 DBADRM CNC(=O)COc1cccc(CNC(=O)[C@@H](OC)C(=O)[O-])c1 ZINC001604241515 1018329673 /nfs/dbraw/zinc/32/96/73/1018329673.db2.gz YMUUWRWKXFHZNF-GFCCVEGCSA-N -1 0 310.306 -0.473 20 0 DBADRM CCC[C@H](NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C)C(N)=O ZINC001604238608 1018330257 /nfs/dbraw/zinc/33/02/57/1018330257.db2.gz SUNOOBHWDSFNNL-QMMMGPOBSA-N -1 0 319.325 -0.340 20 0 DBADRM CNC(=O)CCOC1CCN(C(=O)[C@](C)(OC)C(=O)[O-])CC1 ZINC001604237108 1018330295 /nfs/dbraw/zinc/33/02/95/1018330295.db2.gz VGENPTJMPKCWEP-AWEZNQCLSA-N -1 0 316.354 -0.380 20 0 DBADRM CNC(=O)CCCN(C)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001604237186 1018330674 /nfs/dbraw/zinc/33/06/74/1018330674.db2.gz YZUFOHIMYXPEIC-JTQLQIEISA-N -1 0 313.354 -0.706 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001604246779 1018331763 /nfs/dbraw/zinc/33/17/63/1018331763.db2.gz HKVPHTLZISJKTC-GHMZBOCLSA-N -1 0 308.338 -0.289 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001604248545 1018332387 /nfs/dbraw/zinc/33/23/87/1018332387.db2.gz DYTNQIWUFZCIJI-HRDYMLBCSA-N -1 0 321.399 -0.708 20 0 DBADRM CNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC001604248704 1018332355 /nfs/dbraw/zinc/33/23/55/1018332355.db2.gz JWMBVEVWPSTQMS-SECBINFHSA-N -1 0 314.363 -0.026 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)c1ccnc2n[nH]nc21)C(=O)[O-] ZINC001604245007 1018332901 /nfs/dbraw/zinc/33/29/01/1018332901.db2.gz SGAIQCJNZZUVJP-CYBMUJFWSA-N -1 0 315.293 -0.177 20 0 DBADRM C[C@H](Cn1cncn1)N1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001604248975 1018332932 /nfs/dbraw/zinc/33/29/32/1018332932.db2.gz JNBFQELQKKPCJZ-BBBLOLIVSA-N -1 0 307.310 -0.206 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001604248837 1018333004 /nfs/dbraw/zinc/33/30/04/1018333004.db2.gz AJIUDVXJYCGMRK-KXUCPTDWSA-N -1 0 319.383 -0.427 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)c1ncn(C)n1 ZINC001604255743 1018333832 /nfs/dbraw/zinc/33/38/32/1018333832.db2.gz KISUNDDVWNPGKY-YIZRAAEISA-N -1 0 309.326 -0.686 20 0 DBADRM CNS(=O)(=O)N1CCN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1 ZINC001604249878 1018334362 /nfs/dbraw/zinc/33/43/62/1018334362.db2.gz SZEZBAFMICELLJ-GFCCVEGCSA-N -1 0 319.383 -0.904 20 0 DBADRM CNc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cn1 ZINC001604254483 1018334764 /nfs/dbraw/zinc/33/47/64/1018334764.db2.gz WMWQUWQHNMPGBX-SECBINFHSA-N -1 0 313.335 -0.553 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)c1ccc[nH]1 ZINC001604256742 1018334945 /nfs/dbraw/zinc/33/49/45/1018334945.db2.gz SPSGOMIUAXZCAS-LPEHRKFASA-N -1 0 309.322 -0.514 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001604249056 1018335065 /nfs/dbraw/zinc/33/50/65/1018335065.db2.gz DVQKDALYBNKTSX-RNFRBKRXSA-N -1 0 310.314 -0.261 20 0 DBADRM COC(=O)[C@H](CNC(=O)[C@@]1(C(=O)[O-])CCCO1)[C@@H]1CCOC1 ZINC001604268146 1018336190 /nfs/dbraw/zinc/33/61/90/1018336190.db2.gz SFZAZFWHKCIWRX-GPCCPHFNSA-N -1 0 315.322 -0.438 20 0 DBADRM COC(=O)C(C)(C)n1ccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)n1 ZINC001604262577 1018337147 /nfs/dbraw/zinc/33/71/47/1018337147.db2.gz JYJMKNMBHAPMEX-MRVPVSSYSA-N -1 0 324.293 -0.041 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)c1nc[nH]n1 ZINC001604260989 1018337177 /nfs/dbraw/zinc/33/71/77/1018337177.db2.gz HOYFDNKPKVAVRY-ZCFIWIBFSA-N -1 0 306.282 -0.343 20 0 DBADRM COC(=O)[C@@H](C)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604262373 1018337214 /nfs/dbraw/zinc/33/72/14/1018337214.db2.gz FIVSNUYAKZWNSG-DTWKUNHWSA-N -1 0 300.311 -0.765 20 0 DBADRM COC(=O)[C@](C)(O)CNC(=O)C1(C(=O)[O-])CCSCC1 ZINC001604262733 1018337741 /nfs/dbraw/zinc/33/77/41/1018337741.db2.gz MFARHXMKLGQKLG-LLVKDONJSA-N -1 0 305.352 -0.375 20 0 DBADRM C[C@H](NC(=O)C1(C(N)=O)CC1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604265817 1018338138 /nfs/dbraw/zinc/33/81/38/1018338138.db2.gz UYNMUVZFEQENLO-YUMQZZPRSA-N -1 0 321.337 -0.833 20 0 DBADRM C[C@@H](NC(=O)CN1CCSC[C@@H]1C(=O)[O-])C(=O)N(C)C ZINC001604275826 1018338894 /nfs/dbraw/zinc/33/88/94/1018338894.db2.gz SWSFOZVGMZPLOD-RKDXNWHRSA-N -1 0 303.384 -0.919 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1csc(-c2nn[nH]n2)c1 ZINC001604272121 1018339146 /nfs/dbraw/zinc/33/91/46/1018339146.db2.gz MEHQXMLWXCIEBB-UHFFFAOYSA-N -1 0 316.368 -0.146 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001604271910 1018339203 /nfs/dbraw/zinc/33/92/03/1018339203.db2.gz PGVLASNPJHCJIQ-JTQLQIEISA-N -1 0 311.294 -0.506 20 0 DBADRM C[C@@](NC(=O)CCN1C(=O)CCNC1=S)(C(=O)[O-])C1CC1 ZINC001604269876 1018339497 /nfs/dbraw/zinc/33/94/97/1018339497.db2.gz RKHAISGSUMSXBI-ZDUSSCGKSA-N -1 0 313.379 -0.147 20 0 DBADRM COC(=O)[C@H](CNC(=O)[C@]1(C(=O)[O-])CCCO1)[C@@H]1CCOC1 ZINC001604268267 1018340654 /nfs/dbraw/zinc/34/06/54/1018340654.db2.gz SFZAZFWHKCIWRX-RULNRJAQSA-N -1 0 315.322 -0.438 20 0 DBADRM COC(=O)[C@]1(F)CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001604275503 1018341004 /nfs/dbraw/zinc/34/10/04/1018341004.db2.gz DBPVCWXYPHSRSF-KWQFWETISA-N -1 0 324.330 -0.633 20 0 DBADRM C[C@H](NC(=O)NCCC(=O)NCCC(=O)[O-])c1nncn1C ZINC001604289464 1018342715 /nfs/dbraw/zinc/34/27/15/1018342715.db2.gz FUJUXVVSXNRJRJ-QMMMGPOBSA-N -1 0 312.330 -0.844 20 0 DBADRM C[C@H](NC(=O)N1CCSC[C@H](C(=O)[O-])C1)C(=O)N(C)C ZINC001604281193 1018342887 /nfs/dbraw/zinc/34/28/87/1018342887.db2.gz BIFXSHPISGUHJS-DTWKUNHWSA-N -1 0 303.384 -0.078 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)C[C@H]2C(=O)[O-] ZINC001604283153 1018343360 /nfs/dbraw/zinc/34/33/60/1018343360.db2.gz DBSXOKKJIHVVCR-HJGICBPCSA-N -1 0 324.333 -0.623 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C1(O)CCSCC1 ZINC001604302720 1018345309 /nfs/dbraw/zinc/34/53/09/1018345309.db2.gz ACEZFVLFZCQGKS-UHFFFAOYSA-N -1 0 305.352 -0.279 20 0 DBADRM CCN(CCCNC(=O)COC)c1ccnc(-c2nnn[n-]2)n1 ZINC001604296825 1018345358 /nfs/dbraw/zinc/34/53/58/1018345358.db2.gz LQCAVAWODYBTDB-UHFFFAOYSA-N -1 0 320.357 -0.364 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)C1(C(=O)[O-])CCSCC1 ZINC001604299939 1018346011 /nfs/dbraw/zinc/34/60/11/1018346011.db2.gz ZWMUFBYEYBOYMX-MRVPVSSYSA-N -1 0 305.352 -0.375 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C[C@H]1C(=O)OC ZINC001604291686 1018346033 /nfs/dbraw/zinc/34/60/33/1018346033.db2.gz CBRXRCAZGSPGDX-MSLVZZLFSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001604302764 1018346473 /nfs/dbraw/zinc/34/64/73/1018346473.db2.gz APPVGUNDJQCYPW-VIFPVBQESA-N -1 0 324.337 -0.604 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)c1c(C)cnn1C ZINC001604317178 1018348659 /nfs/dbraw/zinc/34/86/59/1018348659.db2.gz DGTRPBCNMVJAAS-UHFFFAOYSA-N -1 0 319.339 -0.633 20 0 DBADRM COC(=O)CCN1CCC[C@H](OC(=O)[C@H](C)C(=O)[O-])C1=O ZINC001604317319 1018349544 /nfs/dbraw/zinc/34/95/44/1018349544.db2.gz NDGYMBSOUMGUQV-BDAKNGLRSA-N -1 0 301.295 -0.196 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001604306595 1018349730 /nfs/dbraw/zinc/34/97/30/1018349730.db2.gz RXHKMSLGIMOYDZ-WDEREUQCSA-N -1 0 309.322 0.000 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H](C)N1CCSCC1 ZINC001604303620 1018349822 /nfs/dbraw/zinc/34/98/22/1018349822.db2.gz UCABPWBCIKJQJV-JTQLQIEISA-N -1 0 318.395 -0.100 20 0 DBADRM C[C@@H](NC(=O)c1cn(C)cn1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604316955 1018350052 /nfs/dbraw/zinc/35/00/52/1018350052.db2.gz VFJFOBYHBKTAHO-DTWKUNHWSA-N -1 0 318.337 -0.051 20 0 DBADRM COC(=O)CN(C(=O)c1cc(C(=O)[O-])n[nH]1)C1CCOCC1 ZINC001604326129 1018351139 /nfs/dbraw/zinc/35/11/39/1018351139.db2.gz MAICYEXBSLUWDF-UHFFFAOYSA-N -1 0 311.294 -0.098 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H](O)C1CCOCC1)C(=O)[O-] ZINC001604317860 1018351305 /nfs/dbraw/zinc/35/13/05/1018351305.db2.gz IRFBJLFSIDWBJN-GXSJLCMTSA-N -1 0 303.311 -0.704 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CNC(=O)c1ccccn1)C(=O)[O-] ZINC001604321123 1018351614 /nfs/dbraw/zinc/35/16/14/1018351614.db2.gz SHIMMCQUVYOCJH-JTQLQIEISA-N -1 0 323.305 -0.666 20 0 DBADRM CCN(CCOC)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001604318833 1018351787 /nfs/dbraw/zinc/35/17/87/1018351787.db2.gz JLJOLKCVNSQXLO-UHFFFAOYSA-N -1 0 309.334 -0.864 20 0 DBADRM COC(=O)CN(C)CCNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001604326296 1018352028 /nfs/dbraw/zinc/35/20/28/1018352028.db2.gz OPYGZHPJCHAWAC-UHFFFAOYSA-N -1 0 316.354 -0.521 20 0 DBADRM COC(=O)CC[C@H](NC(=O)/C=C/CN1CCOCC1)C(=O)[O-] ZINC001604318114 1018352456 /nfs/dbraw/zinc/35/24/56/1018352456.db2.gz OYDKNMFBDFVOOS-VUDBWIFFSA-N -1 0 314.338 -0.603 20 0 DBADRM COC(=O)NC1CCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC001604345133 1018354506 /nfs/dbraw/zinc/35/45/06/1018354506.db2.gz QOZMWPQNNVQLFM-UHFFFAOYSA-N -1 0 311.298 -0.677 20 0 DBADRM C[C@@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)[C@@H]1CN(C)CCO1 ZINC001604349173 1018355293 /nfs/dbraw/zinc/35/52/93/1018355293.db2.gz LDBBGHLCMRADIV-ZJUUUORDSA-N -1 0 306.384 -0.368 20 0 DBADRM C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@@H](O)C(F)(F)F ZINC001604351099 1018355586 /nfs/dbraw/zinc/35/55/86/1018355586.db2.gz MMJXXSGYBANYAV-IYSWYEEDSA-N -1 0 308.278 -0.461 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)c2cn(CC(=O)[O-])nn2)C[C@H]1C ZINC001604332753 1018355895 /nfs/dbraw/zinc/35/58/95/1018355895.db2.gz UHHVBLLBJJJCRN-RKDXNWHRSA-N -1 0 310.310 -0.366 20 0 DBADRM COC(=O)N(C)CCN(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001604341070 1018356806 /nfs/dbraw/zinc/35/68/06/1018356806.db2.gz DIOQBFMKBBCEML-VIFPVBQESA-N -1 0 323.371 -0.590 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604353647 1018358900 /nfs/dbraw/zinc/35/89/00/1018358900.db2.gz TZLMOIJVERSGPA-ZCFIWIBFSA-N -1 0 322.281 -0.149 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(=O)NC(C)(C)C ZINC001604354727 1018358993 /nfs/dbraw/zinc/35/89/93/1018358993.db2.gz ZHHHTCMHVJTTNW-LURJTMIESA-N -1 0 318.355 -0.311 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC1(C(=O)[O-])CC1 ZINC001604358926 1018359892 /nfs/dbraw/zinc/35/98/92/1018359892.db2.gz QXAYCPJIXPPUEP-SSDOTTSWSA-N -1 0 317.323 -0.753 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)c1ncn(C)n1 ZINC001604353965 1018360604 /nfs/dbraw/zinc/36/06/04/1018360604.db2.gz HFIUJBRHHLLJET-ZETCQYMHSA-N -1 0 313.339 -0.109 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N[C@]2(C(=O)[O-])CCOC2)C[C@H]1C ZINC001604359795 1018361800 /nfs/dbraw/zinc/36/18/00/1018361800.db2.gz UKCGHYCOYXPSMA-WBPNIITGSA-N -1 0 301.295 -0.687 20 0 DBADRM COC(=O)c1cc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)ccn1 ZINC001604372361 1018363071 /nfs/dbraw/zinc/36/30/71/1018363071.db2.gz ZRSLLJOJCFUGNC-JTQLQIEISA-N -1 0 307.262 -0.286 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C1 ZINC001604361906 1018363112 /nfs/dbraw/zinc/36/31/12/1018363112.db2.gz UDXFDAPUXNYVEE-DTORHVGOSA-N -1 0 321.351 -0.509 20 0 DBADRM COC(=O)[C@H](C)N(C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604361927 1018363333 /nfs/dbraw/zinc/36/33/33/1018363333.db2.gz VUVFHRZIMIKNPD-DTWKUNHWSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)c1cnc(C(=O)[O-])cn1 ZINC001604359584 1018363763 /nfs/dbraw/zinc/36/37/63/1018363763.db2.gz NNUXUHJMIUKJII-GMSGAONNSA-N -1 0 309.278 -0.517 20 0 DBADRM CCOC(=O)[C@H](C)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604360597 1018363876 /nfs/dbraw/zinc/36/38/76/1018363876.db2.gz DHJQVTUBUUJTGQ-SFYZADRCSA-N -1 0 322.329 -0.665 20 0 DBADRM C[C@@](O)(CO)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001604376994 1018365449 /nfs/dbraw/zinc/36/54/49/1018365449.db2.gz YKAQTBCFLSYREQ-ZDUSSCGKSA-N -1 0 314.269 -0.678 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCSCC(=O)[O-] ZINC001604378333 1018365650 /nfs/dbraw/zinc/36/56/50/1018365650.db2.gz KSMZNIHEAUSPBK-XCBNKYQSSA-N -1 0 304.368 -0.804 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)c2csc(C(=O)[O-])n2)CC1 ZINC001604377153 1018366349 /nfs/dbraw/zinc/36/63/49/1018366349.db2.gz BNUADUGOPLZUFE-ZETCQYMHSA-N -1 0 313.335 -0.494 20 0 DBADRM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C1 ZINC001604379782 1018366521 /nfs/dbraw/zinc/36/65/21/1018366521.db2.gz HZASLBMDLPBCHP-DDIVZENXSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1 ZINC001604381248 1018367887 /nfs/dbraw/zinc/36/78/87/1018367887.db2.gz STQKHCAYVOJZOB-MVWJERBFSA-N -1 0 312.366 -0.167 20 0 DBADRM CCOC(=O)[C@H](C)N(C)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604382562 1018368324 /nfs/dbraw/zinc/36/83/24/1018368324.db2.gz AHLZOAKPUOAMFJ-SFYZADRCSA-N -1 0 322.329 -0.571 20 0 DBADRM C[C@@H](O)CN(CC(F)F)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001604386215 1018368933 /nfs/dbraw/zinc/36/89/33/1018368933.db2.gz DXPCLINGWZNFIH-BDAKNGLRSA-N -1 0 322.308 -0.216 20 0 DBADRM C[C@@H](O)CN1CCN(S(=O)(=O)CCCCCC(=O)[O-])CC1 ZINC001604387006 1018369039 /nfs/dbraw/zinc/36/90/39/1018369039.db2.gz IIRDMFQIWFNDMW-GFCCVEGCSA-N -1 0 322.427 -0.040 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)COCc2ocnc2C(=O)[O-])CCO1 ZINC001604381514 1018369386 /nfs/dbraw/zinc/36/93/86/1018369386.db2.gz WTQGAMZDFQWPCA-IUCAKERBSA-N -1 0 314.294 -0.502 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001604380617 1018369474 /nfs/dbraw/zinc/36/94/74/1018369474.db2.gz VOYVYKBJPHTUCY-AMIZOPFISA-N -1 0 321.333 -0.077 20 0 DBADRM C[C@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)C(C)(C)C(=O)[O-] ZINC001604395875 1018370833 /nfs/dbraw/zinc/37/08/33/1018370833.db2.gz AJLZMJWWMFVBLV-BQBZGAKWSA-N -1 0 314.294 -0.414 20 0 DBADRM COC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)CC(=O)[O-])n1 ZINC001604400214 1018371135 /nfs/dbraw/zinc/37/11/35/1018371135.db2.gz UQNSMDWVKKLIFQ-SSDOTTSWSA-N -1 0 309.278 -0.214 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)NCc2ccc(C(=O)[O-])cn2)nn1 ZINC001604388769 1018371661 /nfs/dbraw/zinc/37/16/61/1018371661.db2.gz IPOPRQZOMQKYGX-MRVPVSSYSA-N -1 0 305.294 -0.259 20 0 DBADRM CCOC(C)(C)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604399212 1018371834 /nfs/dbraw/zinc/37/18/34/1018371834.db2.gz VGCWLUNFRWMXRW-MRVPVSSYSA-N -1 0 308.346 -0.050 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)nn1 ZINC001604389707 1018371892 /nfs/dbraw/zinc/37/18/92/1018371892.db2.gz ZVCLFKGXFQUYAG-UFBFGSQYSA-N -1 0 312.326 -0.985 20 0 DBADRM C[C@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)C(C)(C)C(=O)[O-] ZINC001604395877 1018372082 /nfs/dbraw/zinc/37/20/82/1018372082.db2.gz AJLZMJWWMFVBLV-NKWVEPMBSA-N -1 0 314.294 -0.414 20 0 DBADRM C[C@@H](OC(=O)C1(C(=O)[O-])CC1)C(=O)NCCN1CCOCC1 ZINC001604391931 1018372168 /nfs/dbraw/zinc/37/21/68/1018372168.db2.gz GEQLQHJURBTXAK-SNVBAGLBSA-N -1 0 314.338 -0.769 20 0 DBADRM COC(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])n1 ZINC001604400395 1018372217 /nfs/dbraw/zinc/37/22/17/1018372217.db2.gz YQTLCJGMNSMTAM-ZETCQYMHSA-N -1 0 309.278 -0.356 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)[C@H](C)C1 ZINC001604387747 1018372793 /nfs/dbraw/zinc/37/27/93/1018372793.db2.gz VRKYKBRDNDVNRX-KXNHARMFSA-N -1 0 300.355 -0.468 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001604403791 1018373849 /nfs/dbraw/zinc/37/38/49/1018373849.db2.gz SWMAIAGMOJNYIK-LURJTMIESA-N -1 0 305.312 -0.463 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001604410807 1018374376 /nfs/dbraw/zinc/37/43/76/1018374376.db2.gz GQOHEBMONFPNRK-SNVBAGLBSA-N -1 0 307.280 -0.820 20 0 DBADRM C[C@@H](OC(=O)CNC(=O)c1cccs1)C(=O)NCC(=O)[O-] ZINC001604402974 1018374736 /nfs/dbraw/zinc/37/47/36/1018374736.db2.gz ZTZLTJHKEFDRIH-SSDOTTSWSA-N -1 0 314.319 -0.390 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001604403834 1018375071 /nfs/dbraw/zinc/37/50/71/1018375071.db2.gz UOJCQEHOHYGEQP-UHFFFAOYSA-N -1 0 317.323 -0.318 20 0 DBADRM CCOC1(C)CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001604405632 1018375309 /nfs/dbraw/zinc/37/53/09/1018375309.db2.gz GXAIPGAXXLIDTB-UHFFFAOYSA-N -1 0 320.357 -0.124 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@](C)(C(=O)N(C)C)C(F)(F)F ZINC001604423715 1018376520 /nfs/dbraw/zinc/37/65/20/1018376520.db2.gz HLNFWHMCQJMXHD-CDUCUWFYSA-N -1 0 300.233 -0.389 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC(OC)(c2nccn2C)CC1 ZINC001604421925 1018377023 /nfs/dbraw/zinc/37/70/23/1018377023.db2.gz NNBAGHKNSOPSSU-SNVBAGLBSA-N -1 0 311.338 -0.016 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCc2[nH]cnc2[C@@H]1c1ccnn1C ZINC001604420956 1018377533 /nfs/dbraw/zinc/37/75/33/1018377533.db2.gz FTBDNGGCKFFFIG-RYUDHWBXSA-N -1 0 319.321 -0.283 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCc2[nH]cnc2[C@@H]1c1ccnn1C ZINC001604420954 1018378114 /nfs/dbraw/zinc/37/81/14/1018378114.db2.gz FTBDNGGCKFFFIG-NWDGAFQWSA-N -1 0 319.321 -0.283 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](C2N=NC(=S)N2C)C1 ZINC001604423333 1018378409 /nfs/dbraw/zinc/37/84/09/1018378409.db2.gz YTUHOVMTIPJAEM-HTQZYQBOSA-N -1 0 314.367 -0.091 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC[C@H](C2N=NC(=S)N2C)C1 ZINC001604423339 1018378442 /nfs/dbraw/zinc/37/84/42/1018378442.db2.gz YTUHOVMTIPJAEM-YUMQZZPRSA-N -1 0 314.367 -0.091 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@](C)(C(=O)N(C)C)C(F)(F)F ZINC001604423717 1018378628 /nfs/dbraw/zinc/37/86/28/1018378628.db2.gz HLNFWHMCQJMXHD-SSDLBLMSSA-N -1 0 300.233 -0.389 20 0 DBADRM CCOC[C@@H]1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001604425515 1018379405 /nfs/dbraw/zinc/37/94/05/1018379405.db2.gz FVLSDMYOYRPUAL-SECBINFHSA-N -1 0 306.330 -0.657 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC001604424852 1018380014 /nfs/dbraw/zinc/38/00/14/1018380014.db2.gz WEMGRYPUUHWGAZ-WDEREUQCSA-N -1 0 313.331 -0.128 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC001604431543 1018379877 /nfs/dbraw/zinc/37/98/77/1018379877.db2.gz DBXUGDBNTNLSKM-GWCFXTLKSA-N -1 0 318.395 -0.590 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC001604424505 1018379999 /nfs/dbraw/zinc/37/99/99/1018379999.db2.gz QLQQXFPOEMEDIF-GARJFASQSA-N -1 0 301.339 -0.088 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC001604432833 1018380881 /nfs/dbraw/zinc/38/08/81/1018380881.db2.gz WBSZDVPFENIVDC-QMMMGPOBSA-N -1 0 322.383 -0.547 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC001604432992 1018381602 /nfs/dbraw/zinc/38/16/02/1018381602.db2.gz XBHSZNICDDCNOS-SECBINFHSA-N -1 0 320.298 -0.811 20 0 DBADRM C[C@H](Oc1cccc(CO)c1)C(=O)NCC(=O)NCC(=O)[O-] ZINC001604441718 1018383203 /nfs/dbraw/zinc/38/32/03/1018383203.db2.gz SGJXNZOJWWTJFZ-VIFPVBQESA-N -1 0 310.306 -0.737 20 0 DBADRM C[C@H](Sc1ccccc1C(=O)N[C@@H](CO)C(N)=O)C(=O)[O-] ZINC001604455273 1018383334 /nfs/dbraw/zinc/38/33/34/1018383334.db2.gz ARLPKXJBOVNBCV-CBAPKCEASA-N -1 0 312.347 -0.172 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1[nH]nc2cc(C)n(C)c(=O)c21 ZINC001604462171 1018383354 /nfs/dbraw/zinc/38/33/54/1018383354.db2.gz OJXWDWAJCMRZDH-CYBMUJFWSA-N -1 0 308.294 -0.002 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2nc(C)cc(=O)[nH]2)CC1 ZINC001604454946 1018383380 /nfs/dbraw/zinc/38/33/80/1018383380.db2.gz JFZKFZGPROROIW-AWEZNQCLSA-N -1 0 324.337 -0.371 20 0 DBADRM COC(CN(CCCO)C(=O)[C@H]1CC(C(=O)[O-])=NO1)OC ZINC001604471296 1018386139 /nfs/dbraw/zinc/38/61/39/1018386139.db2.gz QNYDBOQXDPKVJK-SECBINFHSA-N -1 0 304.299 -0.954 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)OC[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001604445939 1018384392 /nfs/dbraw/zinc/38/43/92/1018384392.db2.gz NPOIOEFUVYMDBF-IUCAKERBSA-N -1 0 309.340 -0.699 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCO[C@H](CN2CCOCC2)C1 ZINC001604455396 1018384494 /nfs/dbraw/zinc/38/44/94/1018384494.db2.gz UYAPPYFDWGUOKV-BXUZGUMPSA-N -1 0 316.354 -0.964 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001604460187 1018384697 /nfs/dbraw/zinc/38/46/97/1018384697.db2.gz ZZHKJFUGAGBUGK-CPCISQLKSA-N -1 0 300.340 -0.344 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)OC[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001604461348 1018384897 /nfs/dbraw/zinc/38/48/97/1018384897.db2.gz IDNZGOQGZHPLTF-CABZTGNLSA-N -1 0 323.367 -0.309 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)O[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC001604446062 1018384968 /nfs/dbraw/zinc/38/49/68/1018384968.db2.gz PACYLGIJWOVDDY-UWVGGRQHSA-N -1 0 311.294 -0.442 20 0 DBADRM C[C@@H](c1ccccc1F)[C@H](O)C(=O)NCC(=O)NCC(=O)[O-] ZINC001604470613 1018386015 /nfs/dbraw/zinc/38/60/15/1018386015.db2.gz JFXQGOSPWJGBJP-SDBXPKJASA-N -1 0 312.297 -0.393 20 0 DBADRM CO[C@@H](CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C1CC1 ZINC001604471745 1018386115 /nfs/dbraw/zinc/38/61/15/1018386115.db2.gz YXGFBURGNHMMPL-JTQLQIEISA-N -1 0 319.379 -0.193 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC001604471284 1018387327 /nfs/dbraw/zinc/38/73/27/1018387327.db2.gz QCBJBUYIAMIFAZ-GARJFASQSA-N -1 0 316.354 -0.667 20 0 DBADRM C[C@@]1(C(=O)NCC(=O)NCC(=O)[O-])CC(c2ccccc2)=NO1 ZINC001604486454 1018389255 /nfs/dbraw/zinc/38/92/55/1018389255.db2.gz ITEJKBNADCSTNR-HNNXBMFYSA-N -1 0 319.317 -0.113 20 0 DBADRM CO[C@]1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001604487190 1018389780 /nfs/dbraw/zinc/38/97/80/1018389780.db2.gz IGYYQMKLIGYTJP-CWSCBRNRSA-N -1 0 319.379 -0.193 20 0 DBADRM C[C@@]1(C(=O)NCCNc2ccnc(C(=O)[O-])n2)CCC(=O)NC1 ZINC001604487066 1018390625 /nfs/dbraw/zinc/39/06/25/1018390625.db2.gz SUJYKHGIXAZELR-CQSZACIVSA-N -1 0 321.337 -0.959 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)N[C@]3(C(=O)[O-])CCOC3)nc2C1 ZINC001604500757 1018391930 /nfs/dbraw/zinc/39/19/30/1018391930.db2.gz FVQNRLPWWBAPRK-LKFCYVNXSA-N -1 0 309.322 -0.182 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCn3cncc3C2)C1 ZINC001604497576 1018392537 /nfs/dbraw/zinc/39/25/37/1018392537.db2.gz KXRDXYXYPVGVRL-AWEZNQCLSA-N -1 0 306.322 -0.452 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCn3cncc3C2)C1 ZINC001604497577 1018393090 /nfs/dbraw/zinc/39/30/90/1018393090.db2.gz KXRDXYXYPVGVRL-CQSZACIVSA-N -1 0 306.322 -0.452 20 0 DBADRM CO[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001604498412 1018393292 /nfs/dbraw/zinc/39/32/92/1018393292.db2.gz GBFDZQFCJGKHLR-IUCAKERBSA-N -1 0 310.310 -0.410 20 0 DBADRM CC1(C(N)=O)CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC001604506206 1018393871 /nfs/dbraw/zinc/39/38/71/1018393871.db2.gz QGPDXFLVXRKVAY-UHFFFAOYSA-N -1 0 323.280 -0.204 20 0 DBADRM CC1(C)C(=O)NCCN1C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001604506933 1018394203 /nfs/dbraw/zinc/39/42/03/1018394203.db2.gz GCMGTEDFOHITFF-VIFPVBQESA-N -1 0 311.338 -0.953 20 0 DBADRM CO[C@@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)[C@](C)(CO)C1 ZINC001604504563 1018394319 /nfs/dbraw/zinc/39/43/19/1018394319.db2.gz CLIRRVQDNGHKQN-BONVTDFDSA-N -1 0 324.333 -0.455 20 0 DBADRM CC1(C(N)=O)CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC001604505854 1018394626 /nfs/dbraw/zinc/39/46/26/1018394626.db2.gz JAYMVQCIRTYKIC-UHFFFAOYSA-N -1 0 323.280 -0.204 20 0 DBADRM CO[C@@H]1CCC[C@@H]1Cn1nnnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001604501273 1018395200 /nfs/dbraw/zinc/39/52/00/1018395200.db2.gz UWIXPVUCGYKVIO-MXWKQRLJSA-N -1 0 311.342 -0.222 20 0 DBADRM COC[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)C1CCOCC1 ZINC001604516454 1018396369 /nfs/dbraw/zinc/39/63/69/1018396369.db2.gz PVVCQWBDOIRJQM-NSHDSACASA-N -1 0 312.326 -0.466 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001604522670 1018396476 /nfs/dbraw/zinc/39/64/76/1018396476.db2.gz CXUKDFKYJFFKSP-BXKDBHETSA-N -1 0 307.368 -0.383 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H](C)N2CCN(C)CC2)C1 ZINC001604523106 1018396616 /nfs/dbraw/zinc/39/66/16/1018396616.db2.gz KQHHITAMRICWEE-WFASDCNBSA-N -1 0 313.398 -0.428 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCCOCC(=O)OC)C1 ZINC001604532763 1018397007 /nfs/dbraw/zinc/39/70/07/1018397007.db2.gz FNMVQANOLHSWQY-CYBMUJFWSA-N -1 0 318.326 -0.691 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001604522673 1018397089 /nfs/dbraw/zinc/39/70/89/1018397089.db2.gz CXUKDFKYJFFKSP-SKDRFNHKSA-N -1 0 307.368 -0.383 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)CS(=O)(=O)C(C)C)C1 ZINC001604527235 1018397538 /nfs/dbraw/zinc/39/75/38/1018397538.db2.gz YXXKRTAFXHHZOG-LBPRGKRZSA-N -1 0 307.368 -0.241 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CC(C)(C)O)C1 ZINC001604524038 1018397964 /nfs/dbraw/zinc/39/79/64/1018397964.db2.gz ZYCUXWGBTZILPP-AWEZNQCLSA-N -1 0 316.354 -0.835 20 0 DBADRM CC1(C)COC[C@@H]1NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604552528 1018399043 /nfs/dbraw/zinc/39/90/43/1018399043.db2.gz HALYOYKDTNCDKD-VIFPVBQESA-N -1 0 301.343 -0.308 20 0 DBADRM CC1(C)NC(=O)N(CCCn2nnc(CCC(=O)[O-])n2)C1=O ZINC001604553833 1018399576 /nfs/dbraw/zinc/39/95/76/1018399576.db2.gz FAYJMBXOTVBNCP-UHFFFAOYSA-N -1 0 310.314 -0.589 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CCc2nc(C)no2)CCO1 ZINC001604552014 1018399828 /nfs/dbraw/zinc/39/98/28/1018399828.db2.gz ZRDQYDDERRBXCS-ZDUSSCGKSA-N -1 0 313.310 -0.361 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CCNC(=O)OC)CCO1 ZINC001604551917 1018399949 /nfs/dbraw/zinc/39/99/49/1018399949.db2.gz YJIURYHKSQRVGA-GFCCVEGCSA-N -1 0 304.299 -0.939 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)Cn2nc(C)cc2C)CCO1 ZINC001604549961 1018399960 /nfs/dbraw/zinc/39/99/60/1018399960.db2.gz FIKDQUXRUUETJP-CQSZACIVSA-N -1 0 311.338 -0.171 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C[C@@](C)(O)C2CC2)CCO1 ZINC001604551936 1018400153 /nfs/dbraw/zinc/40/01/53/1018400153.db2.gz YPRUPPIBNWKWQU-ZIAGYGMSSA-N -1 0 301.339 -0.134 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)/C=C\c2cn(C)cn2)CCO1 ZINC001604551544 1018400251 /nfs/dbraw/zinc/40/02/51/1018400251.db2.gz RPDPTYGDPPWWTN-NQHOJNORSA-N -1 0 309.322 -0.238 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCN(C)C(=O)C2)CCO1 ZINC001604550740 1018400416 /nfs/dbraw/zinc/40/04/16/1018400416.db2.gz KUZIWYUYLKORKL-YGRLFVJLSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CCc2cnn(C)n2)CCO1 ZINC001604550443 1018400490 /nfs/dbraw/zinc/40/04/90/1018400490.db2.gz IFTFJVDBNKAACT-ZDUSSCGKSA-N -1 0 312.326 -0.924 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2nccn3ccnc23)CCO1 ZINC001604559349 1018402469 /nfs/dbraw/zinc/40/24/69/1018402469.db2.gz XLXTUYWKQNRYBD-CQSZACIVSA-N -1 0 320.305 -0.329 20 0 DBADRM COC[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001604566873 1018404116 /nfs/dbraw/zinc/40/41/16/1018404116.db2.gz ARBNXZWZFXHWGM-JTQLQIEISA-N -1 0 324.337 -0.209 20 0 DBADRM COCC1(CNC(=O)c2cn(CC(=O)[O-])nn2)CCOCC1 ZINC001604566723 1018404599 /nfs/dbraw/zinc/40/45/99/1018404599.db2.gz BPYSVKROCIQANR-UHFFFAOYSA-N -1 0 312.326 -0.464 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2conc2C)CCO1 ZINC001604565772 1018404617 /nfs/dbraw/zinc/40/46/17/1018404617.db2.gz YXVIRPSPJZRJHX-LLVKDONJSA-N -1 0 320.323 -0.526 20 0 DBADRM COCC1(NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCCC1 ZINC001604567399 1018404647 /nfs/dbraw/zinc/40/46/47/1018404647.db2.gz OLGORGYGVLSOKX-UHFFFAOYSA-N -1 0 324.337 -0.018 20 0 DBADRM C[C@@]1(C2CCN(C(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)NC(=O)NC1=O ZINC001604569416 1018405145 /nfs/dbraw/zinc/40/51/45/1018405145.db2.gz YBJWGRYEALWJJO-QQXLSSBLSA-N -1 0 323.349 -0.066 20 0 DBADRM C[C@@]1(CC(=O)N2CCSC[C@H]2C(=O)[O-])CCS(=O)(=O)N1 ZINC001604569177 1018405184 /nfs/dbraw/zinc/40/51/84/1018405184.db2.gz RNBHQVPVRLCVCK-KWQFWETISA-N -1 0 322.408 -0.513 20 0 DBADRM C[C@]1(CCC(=O)N[C@H](CC2OCCO2)C(=O)[O-])CCC(=O)N1 ZINC001604570741 1018405457 /nfs/dbraw/zinc/40/54/57/1018405457.db2.gz FXXPAUPNOGOSIM-OTYXRUKQSA-N -1 0 314.338 -0.232 20 0 DBADRM CC1(CC(=O)NC[C@@H](CO)Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001604569544 1018405494 /nfs/dbraw/zinc/40/54/94/1018405494.db2.gz WUSLCYUFWBWFJW-VIFPVBQESA-N -1 0 308.338 -0.324 20 0 DBADRM COCC1(CS(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)CCC1 ZINC001604566790 1018405611 /nfs/dbraw/zinc/40/56/11/1018405611.db2.gz GBCPJRTZTTUKOD-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@]1(CNC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CCC(=O)N1 ZINC001604577997 1018407554 /nfs/dbraw/zinc/40/75/54/1018407554.db2.gz XBXDFVFQVITPPB-BXUZGUMPSA-N -1 0 313.354 -0.478 20 0 DBADRM COCCC1(C)CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001604574447 1018407624 /nfs/dbraw/zinc/40/76/24/1018407624.db2.gz FWAIRBVTOUADSY-UHFFFAOYSA-N -1 0 324.337 -0.209 20 0 DBADRM CC1(Cn2cc(C(=O)N3CCC[C@@H](O)[C@H]3C(=O)[O-])nn2)COC1 ZINC001604588293 1018409854 /nfs/dbraw/zinc/40/98/54/1018409854.db2.gz UPWMCBYQYLICTA-MNOVXSKESA-N -1 0 324.337 -0.635 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCCOC[C@H]1C ZINC001604597358 1018410246 /nfs/dbraw/zinc/41/02/46/1018410246.db2.gz FRROUQPUBDIJML-LLVKDONJSA-N -1 0 316.354 -0.427 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NC[C@@H](C)S(C)(=O)=O ZINC001604600745 1018411444 /nfs/dbraw/zinc/41/14/44/1018411444.db2.gz UDHIRXMHNHOTMM-SECBINFHSA-N -1 0 310.372 -0.448 20 0 DBADRM CC1=C(C(=O)NCCOCC(=O)[O-])[C@@H](C)n2nnnc2N1C ZINC001604608082 1018412550 /nfs/dbraw/zinc/41/25/50/1018412550.db2.gz UYXJGZBINQLLKP-MRVPVSSYSA-N -1 0 310.314 -0.825 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2oc(C)nc2C)c1=O ZINC001604601263 1018413141 /nfs/dbraw/zinc/41/31/41/1018413141.db2.gz QIAOKRJRHGOSTN-UHFFFAOYSA-N -1 0 317.309 -0.137 20 0 DBADRM COCCN(CCC(=O)[O-])Cc1nnc2c(=O)n(C)ccn12 ZINC001604604671 1018413232 /nfs/dbraw/zinc/41/32/32/1018413232.db2.gz IJFPJGNDQLOLMC-UHFFFAOYSA-N -1 0 309.326 -0.649 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001604599749 1018413288 /nfs/dbraw/zinc/41/32/88/1018413288.db2.gz BVDUXWGRPMDRLQ-MGCOHNPYSA-N -1 0 322.383 -0.305 20 0 DBADRM CCn1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c(C)n1 ZINC001604603270 1018413343 /nfs/dbraw/zinc/41/33/43/1018413343.db2.gz XEDKZUSWTBDUMY-UHFFFAOYSA-N -1 0 316.329 -0.587 20 0 DBADRM C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)c1cc(C(=O)[O-])co1 ZINC001604619971 1018413972 /nfs/dbraw/zinc/41/39/72/1018413972.db2.gz HPYASXDJJBASKN-LURJTMIESA-N -1 0 316.291 -0.432 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1=O ZINC001604614754 1018413991 /nfs/dbraw/zinc/41/39/91/1018413991.db2.gz RIDQWFWORHEGJP-NSHDSACASA-N -1 0 324.333 -0.216 20 0 DBADRM COCCOCCNC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001604617405 1018414818 /nfs/dbraw/zinc/41/48/18/1018414818.db2.gz GSIWQFNOLMEHEK-ZDUSSCGKSA-N -1 0 320.342 -0.839 20 0 DBADRM COCCOCCNC(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001604617402 1018415084 /nfs/dbraw/zinc/41/50/84/1018415084.db2.gz GSIWQFNOLMEHEK-CYBMUJFWSA-N -1 0 320.342 -0.839 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001604619909 1018415636 /nfs/dbraw/zinc/41/56/36/1018415636.db2.gz GNNURNNHTCSWKP-SSDOTTSWSA-N -1 0 301.324 -0.468 20 0 DBADRM CC1=CCN(C(=O)C(=O)NCCC(=O)NCCC(=O)[O-])CC1 ZINC001604614985 1018415668 /nfs/dbraw/zinc/41/56/68/1018415668.db2.gz AXYSTGACQNDRFW-UHFFFAOYSA-N -1 0 311.338 -0.738 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCc1ccnn1C ZINC001604625709 1018417650 /nfs/dbraw/zinc/41/76/50/1018417650.db2.gz IVTDLAKILKYXRN-GXSJLCMTSA-N -1 0 308.338 -0.600 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC001604624976 1018417683 /nfs/dbraw/zinc/41/76/83/1018417683.db2.gz UCIUMXGUXGCJHP-UEKVPHQBSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N(C)Cc1cn(C)nn1 ZINC001604624371 1018417881 /nfs/dbraw/zinc/41/78/81/1018417881.db2.gz QVGPBVQGARUADZ-WCBMZHEXSA-N -1 0 309.326 -0.905 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC001604628546 1018418158 /nfs/dbraw/zinc/41/81/58/1018418158.db2.gz YJFVROINFYXABV-DTWKUNHWSA-N -1 0 319.321 -0.548 20 0 DBADRM COCCn1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c(=O)cc1C ZINC001604630152 1018418298 /nfs/dbraw/zinc/41/82/98/1018418298.db2.gz YTTSCDLRVQDAEN-OAHLLOKOSA-N -1 0 324.333 -0.223 20 0 DBADRM COCCn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cn1 ZINC001604629636 1018418317 /nfs/dbraw/zinc/41/83/17/1018418317.db2.gz AHWRAVURSGETJB-LLVKDONJSA-N -1 0 307.310 -0.181 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(-n2cnnn2)cn1 ZINC001604635226 1018419373 /nfs/dbraw/zinc/41/93/73/1018419373.db2.gz UJHOMZMJSYIOEI-SCZZXKLOSA-N -1 0 302.294 -0.008 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001604633904 1018420083 /nfs/dbraw/zinc/42/00/83/1018420083.db2.gz GZQSKZFQRBDSHV-IWSPIJDZSA-N -1 0 323.309 -0.678 20 0 DBADRM CN(C(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@H]1CCSC1 ZINC001604643993 1018420298 /nfs/dbraw/zinc/42/02/98/1018420298.db2.gz XHDKQUWHYMLOGF-QMMMGPOBSA-N -1 0 323.386 -0.395 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001604639714 1018420435 /nfs/dbraw/zinc/42/04/35/1018420435.db2.gz QPSWQMLRMIXYNN-WRWGMCAJSA-N -1 0 301.339 -0.136 20 0 DBADRM CON1CC[C@@H](n2cc(CN3CCC[C@@H]3C(=O)[O-])nn2)C1=O ZINC001604661716 1018422612 /nfs/dbraw/zinc/42/26/12/1018422612.db2.gz OVWYVRYXRKVXGY-GHMZBOCLSA-N -1 0 309.326 -0.338 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CO1 ZINC001604648345 1018422869 /nfs/dbraw/zinc/42/28/69/1018422869.db2.gz NNJDAQSMPCRSHR-LALPHHSUSA-N -1 0 312.366 -0.201 20 0 DBADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001604659194 1018422913 /nfs/dbraw/zinc/42/29/13/1018422913.db2.gz RDOOJAPNIVFPJM-RKDXNWHRSA-N -1 0 323.349 -0.202 20 0 DBADRM CON(C(=O)CN1C(=O)NC2(CCCC2)C1=O)[C@@H](C)C(=O)[O-] ZINC001604657891 1018423023 /nfs/dbraw/zinc/42/30/23/1018423023.db2.gz SXWKWECIWYMABB-QMMMGPOBSA-N -1 0 313.310 -0.286 20 0 DBADRM COCc1ncc2c(n1)CCN(CN1C[C@H](C(=O)[O-])CC1=O)C2 ZINC001604651267 1018423432 /nfs/dbraw/zinc/42/34/32/1018423432.db2.gz KTDKCXGNNLDIIZ-SNVBAGLBSA-N -1 0 320.349 -0.128 20 0 DBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1cn(CC(=O)[O-])nn1 ZINC001604671658 1018424994 /nfs/dbraw/zinc/42/49/94/1018424994.db2.gz CIQOZPHTEOYDCE-YPMHNXCESA-N -1 0 309.370 -0.342 20 0 DBADRM C[C@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC001604662339 1018425350 /nfs/dbraw/zinc/42/53/50/1018425350.db2.gz FSKAYSZXXMLSMJ-TUAOUCFPSA-N -1 0 312.366 -0.214 20 0 DBADRM CON1CC[C@H](OC(=O)C2(CC(=O)[O-])CCOCC2)C1=O ZINC001604661820 1018425445 /nfs/dbraw/zinc/42/54/45/1018425445.db2.gz UGBNDFZWYPPPGQ-VIFPVBQESA-N -1 0 301.295 -0.037 20 0 DBADRM COc1c(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)c(C)nn1C ZINC001604669416 1018425595 /nfs/dbraw/zinc/42/55/95/1018425595.db2.gz MSIOZMJXJXHJIG-QMMMGPOBSA-N -1 0 311.294 -0.421 20 0 DBADRM CON(C)C[C@@H](O)Cn1cc(NC(=O)[C@H](C)C(=O)[O-])cn1 ZINC001604663470 1018425668 /nfs/dbraw/zinc/42/56/68/1018425668.db2.gz SWSZQMQGBHXXBI-WCBMZHEXSA-N -1 0 300.315 -0.604 20 0 DBADRM CON(C)C[C@@H](O)Cn1cc(NC(=O)[C@@H](C)C(=O)[O-])cn1 ZINC001604663468 1018426263 /nfs/dbraw/zinc/42/62/63/1018426263.db2.gz SWSZQMQGBHXXBI-PSASIEDQSA-N -1 0 300.315 -0.604 20 0 DBADRM C[C@@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)CN1C(=O)c1nc[nH]n1 ZINC001604679180 1018427140 /nfs/dbraw/zinc/42/71/40/1018427140.db2.gz QCNFKMKWXHSFEZ-HTQZYQBOSA-N -1 0 317.309 -0.570 20 0 DBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001604672601 1018428360 /nfs/dbraw/zinc/42/83/60/1018428360.db2.gz OXCUZZCOEQZDFE-DGCLKSJQSA-N -1 0 322.365 -0.097 20 0 DBADRM CN(C)S(=O)(=O)[N-]C(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC001604690684 1018430287 /nfs/dbraw/zinc/43/02/87/1018430287.db2.gz CTHVDAYATDTWNA-UHFFFAOYSA-N -1 0 324.366 -0.278 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1=O ZINC001604688238 1018430437 /nfs/dbraw/zinc/43/04/37/1018430437.db2.gz HVCJWDXNYDZEDN-SAVGLBRCSA-N -1 0 316.379 -0.222 20 0 DBADRM C[C@@H]1CC[C@H](CNC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)O1 ZINC001604699525 1018433384 /nfs/dbraw/zinc/43/33/84/1018433384.db2.gz XZMYVTABSJEBDX-DBIOUOCHSA-N -1 0 314.338 -0.629 20 0 DBADRM C[C@@H]1CCC[C@@H](Cn2nnnc2N2CCO[C@@H](C(=O)[O-])C2)O1 ZINC001604717392 1018434013 /nfs/dbraw/zinc/43/40/13/1018434013.db2.gz UCJUQGPELKGURB-OUAUKWLOSA-N -1 0 311.342 -0.080 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@@H]1CCO ZINC001604733916 1018436742 /nfs/dbraw/zinc/43/67/42/1018436742.db2.gz JZYGMUKHPHWFAH-LPEHRKFASA-N -1 0 304.318 -0.465 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)[C@H]1CO ZINC001604742370 1018436971 /nfs/dbraw/zinc/43/69/71/1018436971.db2.gz WGUWAXFRWMAPGB-XKGSQUFQSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001604733708 1018437200 /nfs/dbraw/zinc/43/72/00/1018437200.db2.gz GPELEQCUWLYPMK-WOPDTQHZSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[C@H](F)C2)C[C@@H](C(=O)[O-])O1 ZINC001604742231 1018437367 /nfs/dbraw/zinc/43/73/67/1018437367.db2.gz SGAOBSZTYOAFJO-DBIOUOCHSA-N -1 0 316.329 -0.107 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC[C@H](C)S(=O)(=O)CC2)O[C@H]1C(=O)[O-] ZINC001604746072 1018438488 /nfs/dbraw/zinc/43/84/88/1018438488.db2.gz RMRQJODXBQVVKR-LMLFDSFASA-N -1 0 319.379 -0.100 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])C1 ZINC001604757392 1018439418 /nfs/dbraw/zinc/43/94/18/1018439418.db2.gz OWMOIYQFDXROMG-VHSXEESVSA-N -1 0 319.383 -0.762 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)C1 ZINC001604757051 1018439711 /nfs/dbraw/zinc/43/97/11/1018439711.db2.gz CRFJLJUVIGINMC-NSHDSACASA-N -1 0 305.400 -0.335 20 0 DBADRM C[C@@H]1CCN(CC(=O)NCC(=O)N2CCCC2)[C@H](C(=O)[O-])C1 ZINC001604753325 1018440207 /nfs/dbraw/zinc/44/02/07/1018440207.db2.gz VWMPZCURGOJWSA-NEPJUHHUSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCC1(F)F ZINC001604768541 1018441986 /nfs/dbraw/zinc/44/19/86/1018441986.db2.gz PAUNJEZFWNKYFT-RKDXNWHRSA-N -1 0 320.292 -0.198 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCC(O)(C(=O)[O-])CC2)CC(C)(C)O1 ZINC001604768486 1018442372 /nfs/dbraw/zinc/44/23/72/1018442372.db2.gz DCJPPPFMZOIDGT-NSHDSACASA-N -1 0 314.382 -0.076 20 0 DBADRM C[C@H]1CCn2ncc(C(=O)N3CC(=O)N(C)C[C@H]3C(=O)[O-])c2C1 ZINC001604769589 1018444389 /nfs/dbraw/zinc/44/43/89/1018444389.db2.gz VCMHSHAFPHMDSU-CABZTGNLSA-N -1 0 320.349 -0.167 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C(C)(C)C1 ZINC001604770012 1018445319 /nfs/dbraw/zinc/44/53/19/1018445319.db2.gz WHNIBHXVXGOVDA-DCAQKATOSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C[C@H]1C ZINC001604770044 1018445443 /nfs/dbraw/zinc/44/54/43/1018445443.db2.gz WQHVYGDPKGVAIL-FCHSOHFDSA-N -1 0 323.349 -0.067 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C[C@H]1C ZINC001604770053 1018445765 /nfs/dbraw/zinc/44/57/65/1018445765.db2.gz WQHVYGDPKGVAIL-WMFXKJRFSA-N -1 0 323.349 -0.067 20 0 DBADRM C[C@@H]1CN(C(=O)c2cccnc2C(N)=O)CCN1CCC(=O)[O-] ZINC001604782413 1018447312 /nfs/dbraw/zinc/44/73/12/1018447312.db2.gz CHAFBNZHQCHZIJ-SNVBAGLBSA-N -1 0 320.349 -0.199 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)[C@@H](C)CN1CCO ZINC001604779096 1018448115 /nfs/dbraw/zinc/44/81/15/1018448115.db2.gz ATFNLPOWKQVGOJ-YFKTTZPYSA-N -1 0 300.355 -0.468 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001604785074 1018448686 /nfs/dbraw/zinc/44/86/86/1018448686.db2.gz BMHQKJIPHWPTCC-ZETCQYMHSA-N -1 0 302.308 -0.171 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CCS(=O)(=O)C1 ZINC001604775222 1018448958 /nfs/dbraw/zinc/44/89/58/1018448958.db2.gz GASUOLOSLZPUKD-IVZWLZJFSA-N -1 0 304.368 -0.217 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604777488 1018448963 /nfs/dbraw/zinc/44/89/63/1018448963.db2.gz WUOJJPDMUNMDBL-ZJUUUORDSA-N -1 0 301.343 -0.214 20 0 DBADRM CN(C[C@@H]1CCCO1)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001604793986 1018450861 /nfs/dbraw/zinc/45/08/61/1018450861.db2.gz VQQCELGEJOPVNK-VIFPVBQESA-N -1 0 321.345 -0.721 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)NCC(C)(C)F ZINC001604789333 1018451866 /nfs/dbraw/zinc/45/18/66/1018451866.db2.gz ULIYZFZCCIBJIE-SNVBAGLBSA-N -1 0 317.361 -0.142 20 0 DBADRM C[C@H]1CN(Cc2cn(CC(=O)[O-])nn2)C[C@H](C)S1(=O)=O ZINC001604802242 1018452973 /nfs/dbraw/zinc/45/29/73/1018452973.db2.gz XHBTUVRBUALDFA-IUCAKERBSA-N -1 0 302.356 -0.630 20 0 DBADRM C[C@H]1CN(CCNC(=O)Cn2ccc(C(=O)[O-])n2)[C@@H](C)CO1 ZINC001604796153 1018453603 /nfs/dbraw/zinc/45/36/03/1018453603.db2.gz NCLKMTIAYHFHKO-QWRGUYRKSA-N -1 0 310.354 -0.193 20 0 DBADRM C[C@H]1C(=O)N(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C[C@H]1C ZINC001604798616 1018453750 /nfs/dbraw/zinc/45/37/50/1018453750.db2.gz VXHHUENHCVCIMK-GMTAPVOTSA-N -1 0 318.395 -0.368 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)CC(=O)N1 ZINC001604802416 1018453853 /nfs/dbraw/zinc/45/38/53/1018453853.db2.gz CIVCALRKHZPZJS-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@H]1CN(CCO)CCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001604796820 1018453863 /nfs/dbraw/zinc/45/38/63/1018453863.db2.gz FFXVQYMVVWVHDN-NSHDSACASA-N -1 0 320.411 -0.431 20 0 DBADRM C[C@@H]1CN(CC[S@](C)=O)[C@@H](C(=O)[O-])CN1CC[S@@](C)=O ZINC001604798647 1018453935 /nfs/dbraw/zinc/45/39/35/1018453935.db2.gz WGFNSVPCHKWTFD-ILDFCORTSA-N -1 0 324.468 -0.797 20 0 DBADRM C[C@H]1CN(CCO)CCN1C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001604797702 1018454575 /nfs/dbraw/zinc/45/45/75/1018454575.db2.gz LOJJKRZGKLAHIN-VIFPVBQESA-N -1 0 311.342 -0.351 20 0 DBADRM C[C@@H]1COC[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001604818433 1018455372 /nfs/dbraw/zinc/45/53/72/1018455372.db2.gz XPRXZSIRURCMQR-ZSOJELSESA-N -1 0 310.350 -0.247 20 0 DBADRM CN(Cc1ccco1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001604822199 1018455935 /nfs/dbraw/zinc/45/59/35/1018455935.db2.gz YWMUWCYXVLVLSZ-UHFFFAOYSA-N -1 0 317.309 -0.507 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C[C@@H](CO)O1 ZINC001604807591 1018456453 /nfs/dbraw/zinc/45/64/53/1018456453.db2.gz ALNAMAQNFFJWDM-WPRPVWTQSA-N -1 0 316.335 -0.450 20 0 DBADRM C[C@H]1COCC[C@@H]1CNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001604820302 1018457113 /nfs/dbraw/zinc/45/71/13/1018457113.db2.gz YICHEJQMKSBESL-VHSXEESVSA-N -1 0 311.342 -0.052 20 0 DBADRM C[C@@H]1OCC[C@]12CN(C(=O)Cn1ccc(C(=O)[O-])n1)CCO2 ZINC001604832651 1018458174 /nfs/dbraw/zinc/45/81/74/1018458174.db2.gz DPVRNBOBEYIGTF-HZMBPMFUSA-N -1 0 309.322 -0.012 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1 ZINC001604833687 1018458238 /nfs/dbraw/zinc/45/82/38/1018458238.db2.gz DUQUEIWYBQKAOB-FXBDTBDDSA-N -1 0 303.340 -0.357 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H](OC)C(=O)[O-] ZINC001604829446 1018459275 /nfs/dbraw/zinc/45/92/75/1018459275.db2.gz ZQEGLWRAGXLFID-SECBINFHSA-N -1 0 318.307 -0.619 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1cccc(-c2nn[nH]n2)n1 ZINC001604826765 1018459364 /nfs/dbraw/zinc/45/93/64/1018459364.db2.gz ITHIHBORKZGIBD-UHFFFAOYSA-N -1 0 302.254 -0.790 20 0 DBADRM C[C@H]1NC(=O)N(CC[N@@H+]2CCSC[C@@H]2CC(=O)[O-])C1=O ZINC001604831611 1018459401 /nfs/dbraw/zinc/45/94/01/1018459401.db2.gz HPSMPQHOKHBAQZ-BDAKNGLRSA-N -1 0 301.368 -0.181 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc(-c2nn[nH]n2)n1C ZINC001604827200 1018459464 /nfs/dbraw/zinc/45/94/64/1018459464.db2.gz YREMBRRKWUDFBY-UHFFFAOYSA-N -1 0 304.270 -0.846 20 0 DBADRM CN(c1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001604829470 1018459522 /nfs/dbraw/zinc/45/95/22/1018459522.db2.gz FOIRSFGNTMYPJM-NSHDSACASA-N -1 0 315.337 -0.611 20 0 DBADRM C[C@@H]1Oc2ccccc2N(CC(=O)N[C@@H](CO)C(=O)[O-])C1=O ZINC001604837506 1018460612 /nfs/dbraw/zinc/46/06/12/1018460612.db2.gz LAHZWUZIFQDUPS-IUCAKERBSA-N -1 0 308.290 -0.638 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C)[C@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001604838181 1018461604 /nfs/dbraw/zinc/46/16/04/1018461604.db2.gz RCSDMNVZMQROJE-ZNSHCXBVSA-N -1 0 314.338 -0.677 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)c1cncc(F)c1 ZINC001500815031 1018474437 /nfs/dbraw/zinc/47/44/37/1018474437.db2.gz QVIIPSOXOCKEJS-UHFFFAOYSA-N -1 0 322.300 -0.979 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC001604880740 1018474876 /nfs/dbraw/zinc/47/48/76/1018474876.db2.gz BRFVFQMYWJKTSY-WPRPVWTQSA-N -1 0 314.338 -0.247 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001604886734 1018479019 /nfs/dbraw/zinc/47/90/19/1018479019.db2.gz SGRBGVJJMOHKEB-ZCFIWIBFSA-N -1 0 305.298 -0.860 20 0 DBADRM COC(=O)[C@H](C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604903536 1018481079 /nfs/dbraw/zinc/48/10/79/1018481079.db2.gz ZMGVXKVCQPGLKX-ZCFIWIBFSA-N -1 0 315.311 -0.453 20 0 DBADRM CNS(=O)(=O)CCNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001604897555 1018481427 /nfs/dbraw/zinc/48/14/27/1018481427.db2.gz NGOXRBDEACPRFD-UHFFFAOYSA-N -1 0 323.791 -0.062 20 0 DBADRM COC(=O)[C@@H](OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)C ZINC001604909540 1018483193 /nfs/dbraw/zinc/48/31/93/1018483193.db2.gz NCMIZKXTMZAFPF-YUMQZZPRSA-N -1 0 323.313 -0.240 20 0 DBADRM COc1ncccc1CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001604906646 1018483971 /nfs/dbraw/zinc/48/39/71/1018483971.db2.gz JUEWUSJRDWLXIY-SECBINFHSA-N -1 0 309.322 -0.115 20 0 DBADRM CS(=O)(=O)C1(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC001604913838 1018485395 /nfs/dbraw/zinc/48/53/95/1018485395.db2.gz JBMWDNNYIIIDDZ-UHFFFAOYSA-N -1 0 305.352 -0.439 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001604920325 1018487301 /nfs/dbraw/zinc/48/73/01/1018487301.db2.gz QHZRLDAAOJVCPZ-MRVPVSSYSA-N -1 0 313.335 -0.319 20 0 DBADRM CS(=O)(=O)CCn1cccc(NC(=O)CCC(=O)[O-])c1=O ZINC001604920682 1018487823 /nfs/dbraw/zinc/48/78/23/1018487823.db2.gz APLIQFGPPBUJFY-UHFFFAOYSA-N -1 0 316.335 -0.304 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)Nc2n[nH]cc2C(=O)[O-])C1 ZINC001604927763 1018489184 /nfs/dbraw/zinc/48/91/84/1018489184.db2.gz RLPRRCMSLHFTPQ-ZETCQYMHSA-N -1 0 316.339 -0.282 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001604927818 1018489606 /nfs/dbraw/zinc/48/96/06/1018489606.db2.gz VQPKBYNKVPNSSM-JOYOIKCWSA-N -1 0 320.367 -0.840 20 0 DBADRM COC(=O)[C@@H]1CCN(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001604925334 1018489438 /nfs/dbraw/zinc/48/94/38/1018489438.db2.gz KBENOANERHJQBR-SECBINFHSA-N -1 0 304.310 -0.519 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(C)C[C@H]1CO)C(=O)[O-] ZINC001604930191 1018489800 /nfs/dbraw/zinc/48/98/00/1018489800.db2.gz BSLSEWZZABTIAT-GVXVVHGQSA-N -1 0 301.387 -0.790 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CC[C@]2(CNC(=O)C2)C1)C(=O)[O-] ZINC001604929691 1018489929 /nfs/dbraw/zinc/48/99/29/1018489929.db2.gz YBGHELSIEGISMU-XEGUGMAKSA-N -1 0 311.382 -0.186 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1 ZINC001604927471 1018490518 /nfs/dbraw/zinc/49/05/18/1018490518.db2.gz KIVMZEWINNTGJU-ZETCQYMHSA-N -1 0 316.339 -0.881 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCO[C@H]([C@@H](C)O)C1)C(=O)[O-] ZINC001604932683 1018492636 /nfs/dbraw/zinc/49/26/36/1018492636.db2.gz PBSJEADBFOYNMZ-NOHGZBONSA-N -1 0 302.371 -0.317 20 0 DBADRM COC(=O)CNC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O ZINC001604940035 1018493185 /nfs/dbraw/zinc/49/31/85/1018493185.db2.gz PSQCRYXCYQMWSS-UHFFFAOYSA-N -1 0 324.322 -0.408 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC001604933639 1018493393 /nfs/dbraw/zinc/49/33/93/1018493393.db2.gz YDUIHIVLLQJGOG-SBMIAAHKSA-N -1 0 314.338 -0.377 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)o1 ZINC001604936855 1018493623 /nfs/dbraw/zinc/49/36/23/1018493623.db2.gz XXDCWAJIGDREBB-LLVKDONJSA-N -1 0 303.292 -0.343 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN2CCOC[C@H]2C1)C(=O)[O-] ZINC001604932155 1018493912 /nfs/dbraw/zinc/49/39/12/1018493912.db2.gz MMZIVETYTWEHTF-SCRDCRAPSA-N -1 0 313.398 -0.382 20 0 DBADRM COC(=O)NCCNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001604951355 1018495368 /nfs/dbraw/zinc/49/53/68/1018495368.db2.gz RNOYZDQHZDJSAQ-UHFFFAOYSA-N -1 0 306.282 -0.342 20 0 DBADRM CS(C)(=O)=NCCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604948344 1018496206 /nfs/dbraw/zinc/49/62/06/1018496206.db2.gz IQAGCPUHGNTRHF-VIFPVBQESA-N -1 0 319.383 -0.847 20 0 DBADRM C[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001604944552 1018496853 /nfs/dbraw/zinc/49/68/53/1018496853.db2.gz YKMHTKRHGLJBPN-SYLNSOGPSA-N -1 0 314.367 -0.218 20 0 DBADRM CC[C@H](C)[C@H](O)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001604946244 1018497216 /nfs/dbraw/zinc/49/72/16/1018497216.db2.gz OFCONFOLEINECR-IONNQARKSA-N -1 0 312.326 -0.420 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2CC(C)=NO2)c1 ZINC001604964147 1018498534 /nfs/dbraw/zinc/49/85/34/1018498534.db2.gz IKYVLXIALMIBQV-VIFPVBQESA-N -1 0 318.293 -0.020 20 0 DBADRM CC[C@H](C)OCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001604966295 1018498715 /nfs/dbraw/zinc/49/87/15/1018498715.db2.gz VHVAKWXZPPSQEV-HOTUBEGUSA-N -1 0 307.368 -0.194 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001604963686 1018499454 /nfs/dbraw/zinc/49/94/54/1018499454.db2.gz VLLFYAINNJDAGG-QWRGUYRKSA-N -1 0 308.400 -0.168 20 0 DBADRM COC(=O)c1ccc(C(=O)Cn2cc(-c3nnn[n-]3)nn2)o1 ZINC001604970540 1018499775 /nfs/dbraw/zinc/49/97/75/1018499775.db2.gz ZHUBOPZXRNVCHX-UHFFFAOYSA-N -1 0 303.238 -0.279 20 0 DBADRM CC[C@@H](C)NC(=O)CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001604968751 1018500078 /nfs/dbraw/zinc/50/00/78/1018500078.db2.gz SEGUKOVZGMGJRK-SECBINFHSA-N -1 0 306.384 -0.477 20 0 DBADRM CO[C@@H](C)C(=O)N(C)CCN(C)c1nccnc1-c1nn[nH]n1 ZINC001604999149 1018502307 /nfs/dbraw/zinc/50/23/07/1018502307.db2.gz DDGJDHDQZFZSKR-VIFPVBQESA-N -1 0 320.357 -0.414 20 0 DBADRM CO[C@H](C)C(=O)N(C)CCN(C)c1nccnc1-c1nn[nH]n1 ZINC001604999148 1018503380 /nfs/dbraw/zinc/50/33/80/1018503380.db2.gz DDGJDHDQZFZSKR-SECBINFHSA-N -1 0 320.357 -0.414 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(CCC(N)=O)cc1)C(=O)[O-] ZINC001604983208 1018503529 /nfs/dbraw/zinc/50/35/29/1018503529.db2.gz QBYJRMHRYBCQEX-MRVPVSSYSA-N -1 0 307.306 -0.368 20 0 DBADRM CO[C@@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C1CC1 ZINC001605008123 1018505835 /nfs/dbraw/zinc/50/58/35/1018505835.db2.gz FXMLZVZWHFWYFI-QMMMGPOBSA-N -1 0 321.341 -0.899 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[C@H]1CS(N)(=O)=O ZINC001605011962 1018507481 /nfs/dbraw/zinc/50/74/81/1018507481.db2.gz MYGMVHMCNOETQD-DOLQZWNJSA-N -1 0 319.383 -0.584 20 0 DBADRM CO[C@]1(COC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CCOC1 ZINC001605020931 1018508585 /nfs/dbraw/zinc/50/85/85/1018508585.db2.gz PUNJTXFGXOOXIK-QPUJVOFHSA-N -1 0 323.313 -0.632 20 0 DBADRM COC1CCC(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001605029696 1018510396 /nfs/dbraw/zinc/51/03/96/1018510396.db2.gz MTLRPRDTOJJSJP-UHFFFAOYSA-N -1 0 306.330 -0.468 20 0 DBADRM CO[C@@]1(COC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CCOC1 ZINC001605020929 1018510455 /nfs/dbraw/zinc/51/04/55/1018510455.db2.gz PUNJTXFGXOOXIK-PELKAZGASA-N -1 0 323.313 -0.632 20 0 DBADRM CC(=O)N[C@@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)C ZINC001500910993 1018512517 /nfs/dbraw/zinc/51/25/17/1018512517.db2.gz YNBMVRYCAONURI-NSHDSACASA-N -1 0 320.353 -0.652 20 0 DBADRM C[C@@H]1CCC[C@H](C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001500911998 1018513219 /nfs/dbraw/zinc/51/32/19/1018513219.db2.gz FFJHOQJNABOONR-MNOVXSKESA-N -1 0 323.397 -0.001 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)c1cncc(C(=O)[O-])c1 ZINC001605041994 1018515722 /nfs/dbraw/zinc/51/57/22/1018515722.db2.gz XGTFJUQNNCGULQ-JTQLQIEISA-N -1 0 315.351 -0.163 20 0 DBADRM C[C@H](NC(=O)Cn1cnnn1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC001605042797 1018517016 /nfs/dbraw/zinc/51/70/16/1018517016.db2.gz POODLMJEPNXINK-VIFPVBQESA-N -1 0 324.341 -0.919 20 0 DBADRM CC[C@](COC)(NC(=O)[C@H]1CC[C@@H](C(=O)OC)O1)C(=O)[O-] ZINC001605050111 1018518212 /nfs/dbraw/zinc/51/82/12/1018518212.db2.gz QYDHRVZWMJHTCV-VYUIOLGVSA-N -1 0 303.311 -0.297 20 0 DBADRM CC[C@@H](COC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC001605050292 1018518178 /nfs/dbraw/zinc/51/81/78/1018518178.db2.gz XKJLGXDWQIAOFL-QMMMGPOBSA-N -1 0 308.294 -0.216 20 0 DBADRM CC[C@H](CO)N1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC001605046377 1018518481 /nfs/dbraw/zinc/51/84/81/1018518481.db2.gz NSOHDVGCDVUEGN-LLVKDONJSA-N -1 0 323.415 -0.974 20 0 DBADRM CC[C@@H](COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC001605046300 1018518495 /nfs/dbraw/zinc/51/84/95/1018518495.db2.gz CIQMCEBLYDEQNA-CYNONHLPSA-N -1 0 310.306 -0.249 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-] ZINC001605050612 1018518718 /nfs/dbraw/zinc/51/87/18/1018518718.db2.gz UYWNFUGONJAMRJ-OTYXRUKQSA-N -1 0 310.354 -0.084 20 0 DBADRM COC[C@]1(C)CN(Cn2cccc(-c3nnn[n-]3)c2=O)CCO1 ZINC001605066934 1018519529 /nfs/dbraw/zinc/51/95/29/1018519529.db2.gz RVZPYIFBUUYMQF-AWEZNQCLSA-N -1 0 320.353 -0.277 20 0 DBADRM COCC1(O)CN(C(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)C1 ZINC001605067684 1018520074 /nfs/dbraw/zinc/52/00/74/1018520074.db2.gz HIBVXDAEUXEROY-UHFFFAOYSA-N -1 0 320.309 -0.891 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001605065866 1018520709 /nfs/dbraw/zinc/52/07/09/1018520709.db2.gz RVRFQXSIQAFAPP-SNVBAGLBSA-N -1 0 320.305 -0.814 20 0 DBADRM CC[C@H](NC(=O)C1CCN(S(=O)(=O)NC)CC1)C(=O)[O-] ZINC001605071418 1018521303 /nfs/dbraw/zinc/52/13/03/1018521303.db2.gz SWXUPMUISNTMRT-VIFPVBQESA-N -1 0 307.372 -0.858 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001605069349 1018521665 /nfs/dbraw/zinc/52/16/65/1018521665.db2.gz YLWRHHAYWGRNRQ-SFYZADRCSA-N -1 0 300.290 -0.766 20 0 DBADRM COCC[C@H](C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001605078352 1018523456 /nfs/dbraw/zinc/52/34/56/1018523456.db2.gz BESCEYJUUIOWQR-QMMMGPOBSA-N -1 0 309.334 -0.818 20 0 DBADRM Cc1cc(=O)[nH]c(C(C)(C)NCCS(=O)(=O)CC(=O)[O-])n1 ZINC001605092379 1018528857 /nfs/dbraw/zinc/52/88/57/1018528857.db2.gz MCMSQCYYIZGKEX-UHFFFAOYSA-N -1 0 317.367 -0.185 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N(CCC(=O)[O-])CC(OC)OC ZINC001605090379 1018528938 /nfs/dbraw/zinc/52/89/38/1018528938.db2.gz YMBKPIZWAYHXMY-SNVBAGLBSA-N -1 0 304.343 -0.177 20 0 DBADRM CC[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@H](O)C(F)F ZINC001605099218 1018529085 /nfs/dbraw/zinc/52/90/85/1018529085.db2.gz OCXYRGMSBRMAIX-SVRRBLITSA-N -1 0 304.315 -0.368 20 0 DBADRM COCCOC(=O)N(C)Cn1ccc(-c2nnn[n-]2)cc1=O ZINC001605110267 1018530702 /nfs/dbraw/zinc/53/07/02/1018530702.db2.gz MNQIWDPRCZIBBL-UHFFFAOYSA-N -1 0 308.298 -0.299 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)nn1 ZINC001605113890 1018531407 /nfs/dbraw/zinc/53/14/07/1018531407.db2.gz MDAKUIRFSWJKTR-CABZTGNLSA-N -1 0 319.321 0.000 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@]2(C(=O)[O-])CCSC2)nn1 ZINC001605114720 1018531659 /nfs/dbraw/zinc/53/16/59/1018531659.db2.gz UOWPIIFZGFIEMK-PRHODGIISA-N -1 0 314.367 -0.261 20 0 DBADRM COCCc1noc(Cn2cc(-c3nnn[n-]3)ccc2=O)n1 ZINC001605122584 1018531936 /nfs/dbraw/zinc/53/19/36/1018531936.db2.gz BFMBYAJERKWZSZ-UHFFFAOYSA-N -1 0 303.282 -0.351 20 0 DBADRM C[C@H]1CC[C@H](C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001500968301 1018532725 /nfs/dbraw/zinc/53/27/25/1018532725.db2.gz WNRGQJNAAZUVOD-XYPYZODXSA-N -1 0 323.397 -0.001 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cc(-c2nn[nH]n2)oc1C ZINC001605121267 1018533895 /nfs/dbraw/zinc/53/38/95/1018533895.db2.gz PSMISEDQKIYCIM-UHFFFAOYSA-N -1 0 315.311 -0.526 20 0 DBADRM CCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CCC1 ZINC001605130323 1018534582 /nfs/dbraw/zinc/53/45/82/1018534582.db2.gz KJDVIUJMOWZUTH-WDEREUQCSA-N -1 0 324.377 -0.023 20 0 DBADRM CC[C@@]1(C)NC(=O)N(NC(=S)NCCCC(=O)[O-])C1=O ZINC001605134911 1018535745 /nfs/dbraw/zinc/53/57/45/1018535745.db2.gz GNKTUGATLAOFHY-LLVKDONJSA-N -1 0 302.356 -0.049 20 0 DBADRM CC[C@]1(C)NC(=O)N(NC(=S)NCCCC(=O)[O-])C1=O ZINC001605134913 1018536102 /nfs/dbraw/zinc/53/61/02/1018536102.db2.gz GNKTUGATLAOFHY-NSHDSACASA-N -1 0 302.356 -0.049 20 0 DBADRM CC[C@@H]1C(=O)N(CC)CCN1S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001605151765 1018538993 /nfs/dbraw/zinc/53/89/93/1018538993.db2.gz WLFVLAGDYNSFGZ-VHSXEESVSA-N -1 0 306.384 -0.020 20 0 DBADRM CCC1(Cn2cc(C(=O)N[C@@H](CF)C(=O)[O-])nn2)COC1 ZINC001605145696 1018539097 /nfs/dbraw/zinc/53/90/97/1018539097.db2.gz PJSUBSUXAWHSIU-QMMMGPOBSA-N -1 0 300.290 -0.143 20 0 DBADRM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001605150387 1018539232 /nfs/dbraw/zinc/53/92/32/1018539232.db2.gz KPOBMMQMTIAVME-SECBINFHSA-N -1 0 322.321 -0.601 20 0 DBADRM Cc1cc(CCNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)nn1C ZINC001605165493 1018541923 /nfs/dbraw/zinc/54/19/23/1018541923.db2.gz JNWQDVOGOVTWBH-GFCCVEGCSA-N -1 0 322.365 -0.290 20 0 DBADRM CC[C@@H]1CN(CN2C[C@H](C(=O)[O-])CC2=O)C[C@@H](C)S1(=O)=O ZINC001605179294 1018542542 /nfs/dbraw/zinc/54/25/42/1018542542.db2.gz PPUBBSFTPRFTFF-GMTAPVOTSA-N -1 0 318.395 -0.226 20 0 DBADRM CC[C@H](C(=O)N1CC[C@@](O)(C(=O)[O-])C1)N1CCO[C@H](CC)C1 ZINC001605171814 1018543420 /nfs/dbraw/zinc/54/34/20/1018543420.db2.gz BGQMJXSAOUHEDI-JMSVASOKSA-N -1 0 314.382 -0.076 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)C2=COCCO2)c1[O-] ZINC001501003867 1018545981 /nfs/dbraw/zinc/54/59/81/1018545981.db2.gz BOSIRIIDBLGIPT-UHFFFAOYSA-N -1 0 324.337 -0.158 20 0 DBADRM CCC[C@@H](C(=O)N1CC[C@](OC)(C(=O)[O-])C1)S(N)(=O)=O ZINC001605192681 1018546707 /nfs/dbraw/zinc/54/67/07/1018546707.db2.gz NSPFWGAWJNYEEV-GZMMTYOYSA-N -1 0 308.356 -0.854 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)N[C@@H](C)CC(=O)[O-])C2=O)n(C)n1 ZINC001605194364 1018546834 /nfs/dbraw/zinc/54/68/34/1018546834.db2.gz CQYIOFWYUBECBE-WCBMZHEXSA-N -1 0 323.353 -0.004 20 0 DBADRM CCCC(=O)N1CCN(C2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001605190730 1018547773 /nfs/dbraw/zinc/54/77/73/1018547773.db2.gz FEQKSRSLYNSMJY-QWHCGFSZSA-N -1 0 323.393 -0.138 20 0 DBADRM CCC[C@@H](C(=O)N1CCSC[C@H](C(=O)[O-])C1)S(N)(=O)=O ZINC001605192097 1018547834 /nfs/dbraw/zinc/54/78/34/1018547834.db2.gz IYCCHJKWRMURSP-BDAKNGLRSA-N -1 0 324.424 -0.280 20 0 DBADRM CCC[C@@H](C(=O)N1CCSC[C@@H](C(=O)[O-])C1)S(N)(=O)=O ZINC001605192104 1018548430 /nfs/dbraw/zinc/54/84/30/1018548430.db2.gz IYCCHJKWRMURSP-IUCAKERBSA-N -1 0 324.424 -0.280 20 0 DBADRM CCCC[C@H](C(=O)[O-])S(=O)(=O)[C@H](C)C(=O)NC(=O)NC ZINC001605236247 1018549658 /nfs/dbraw/zinc/54/96/58/1018549658.db2.gz XRYOLLWDHUGFPT-HTQZYQBOSA-N -1 0 308.356 -0.111 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001605245980 1018550701 /nfs/dbraw/zinc/55/07/01/1018550701.db2.gz PKXRJJVEZXDEHZ-JVVWGOMOSA-N -1 0 301.343 -0.445 20 0 DBADRM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605226104 1018550952 /nfs/dbraw/zinc/55/09/52/1018550952.db2.gz ZXHFNEFEZUYTTO-KXUCPTDWSA-N -1 0 304.368 -0.220 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001605245554 1018551340 /nfs/dbraw/zinc/55/13/40/1018551340.db2.gz DAHBHVZVIXJABO-WDEREUQCSA-N -1 0 315.370 -0.102 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001605245897 1018551508 /nfs/dbraw/zinc/55/15/08/1018551508.db2.gz MWXMBLHAKAHLLQ-ZANVPECISA-N -1 0 301.343 -0.037 20 0 DBADRM CCC[C@H]1C(=O)NCCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605226103 1018551775 /nfs/dbraw/zinc/55/17/75/1018551775.db2.gz ZXHFNEFEZUYTTO-AEJSXWLSSA-N -1 0 304.368 -0.220 20 0 DBADRM CCCN([C@@H](C)C(=O)[O-])S(=O)(=O)CCN1CCOC1=O ZINC001605302250 1018553448 /nfs/dbraw/zinc/55/34/48/1018553448.db2.gz LVIAFCBVSNKEFJ-VIFPVBQESA-N -1 0 308.356 -0.047 20 0 DBADRM CCCCOC(=O)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001605281729 1018554365 /nfs/dbraw/zinc/55/43/65/1018554365.db2.gz MUNIPFNXSGLESX-UHFFFAOYSA-N -1 0 305.312 -0.271 20 0 DBADRM Cc1ccc(NCCNC(=O)c2cn(CC(=O)[O-])nn2)nc1 ZINC001605296602 1018554894 /nfs/dbraw/zinc/55/48/94/1018554894.db2.gz MSZXBMNDDUDKND-UHFFFAOYSA-N -1 0 304.310 -0.092 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001605290083 1018555522 /nfs/dbraw/zinc/55/55/22/1018555522.db2.gz WDWAQDAITWIHPR-LBPRGKRZSA-N -1 0 322.383 -0.592 20 0 DBADRM CCCN1CCN(C(=O)C(=O)Nc2nn(C)cc2C(=O)[O-])CC1 ZINC001605326197 1018556749 /nfs/dbraw/zinc/55/67/49/1018556749.db2.gz NPGQPKWGOGBASV-UHFFFAOYSA-N -1 0 323.353 -0.389 20 0 DBADRM CCCNC(=O)CCCN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001605331314 1018557131 /nfs/dbraw/zinc/55/71/31/1018557131.db2.gz PAZIFRWGRAKVAJ-LLVKDONJSA-N -1 0 320.411 -0.134 20 0 DBADRM CCCNC(=O)CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605326437 1018557651 /nfs/dbraw/zinc/55/76/51/1018557651.db2.gz FMCLXSXFNFVZTE-NXEZZACHSA-N -1 0 314.338 -0.375 20 0 DBADRM CCCN(CC(=O)NC)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001605306557 1018558046 /nfs/dbraw/zinc/55/80/46/1018558046.db2.gz KRCKTAOHQNDDNQ-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM CCCS(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001605345875 1018558675 /nfs/dbraw/zinc/55/86/75/1018558675.db2.gz YJRWJFZJECKQPE-GFCCVEGCSA-N -1 0 306.384 -0.413 20 0 DBADRM CCCN1C[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)CC1=O ZINC001605322726 1018558725 /nfs/dbraw/zinc/55/87/25/1018558725.db2.gz VAHLBXFXSROLFC-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM CCCS(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001605345876 1018559510 /nfs/dbraw/zinc/55/95/10/1018559510.db2.gz YJRWJFZJECKQPE-LBPRGKRZSA-N -1 0 306.384 -0.413 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001605353815 1018562628 /nfs/dbraw/zinc/56/26/28/1018562628.db2.gz GBHIEXAPTIVQLP-XHNCKOQMSA-N -1 0 315.326 -0.844 20 0 DBADRM Cc1n[nH]c(C)c1CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001605388011 1018570772 /nfs/dbraw/zinc/57/07/72/1018570772.db2.gz ADXYMXIAUPLDBC-SNVBAGLBSA-N -1 0 308.338 -0.034 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1ccco1 ZINC001605400968 1018571387 /nfs/dbraw/zinc/57/13/87/1018571387.db2.gz RGNDPMRCAVYTQG-QMMMGPOBSA-N -1 0 314.309 -0.098 20 0 DBADRM CCCn1nnnc1CN1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605391512 1018571452 /nfs/dbraw/zinc/57/14/52/1018571452.db2.gz SEFYUOOWGOVOSX-QWRGUYRKSA-N -1 0 322.369 -0.648 20 0 DBADRM CCCC1N=NC(=S)N1CC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001605383712 1018571621 /nfs/dbraw/zinc/57/16/21/1018571621.db2.gz VTNJKBWDRKAGFF-GFCCVEGCSA-N -1 0 314.367 -0.433 20 0 DBADRM CCCn1nnnc1CN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001605391291 1018571639 /nfs/dbraw/zinc/57/16/39/1018571639.db2.gz LWZVTVOTFPSYJC-QWRGUYRKSA-N -1 0 322.369 -0.552 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001605394509 1018572974 /nfs/dbraw/zinc/57/29/74/1018572974.db2.gz RTKDVTZQLLOAQB-UHFFFAOYSA-N -1 0 306.282 -0.746 20 0 DBADRM CCN([C@@H]1CCNC1=O)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001605411317 1018574240 /nfs/dbraw/zinc/57/42/40/1018574240.db2.gz DROOWFVIKJDSFJ-MRVPVSSYSA-N -1 0 313.335 -0.321 20 0 DBADRM Cc1nc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)sc1C(N)=O ZINC001605403156 1018574898 /nfs/dbraw/zinc/57/48/98/1018574898.db2.gz HAEVQHKINLUZQY-ZCFIWIBFSA-N -1 0 312.307 -0.604 20 0 DBADRM CCN(CC(=O)[O-])C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC001605412693 1018576289 /nfs/dbraw/zinc/57/62/89/1018576289.db2.gz VFZGYEJEADZVCZ-UHFFFAOYSA-N -1 0 315.370 -0.271 20 0 DBADRM CCN(CC(=O)[O-])C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC001605417211 1018578501 /nfs/dbraw/zinc/57/85/01/1018578501.db2.gz RRHZXCLSLKNJQX-UHFFFAOYSA-N -1 0 320.305 -0.821 20 0 DBADRM Cc1nccnc1N1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001605424141 1018578834 /nfs/dbraw/zinc/57/88/34/1018578834.db2.gz LVBDOKRVPWHLAS-NSHDSACASA-N -1 0 319.321 -0.337 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001605423990 1018578879 /nfs/dbraw/zinc/57/88/79/1018578879.db2.gz BLTCFHJHIKHQPQ-LLVKDONJSA-N -1 0 308.338 -0.369 20 0 DBADRM CCN(CC)C(=O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001605423181 1018580494 /nfs/dbraw/zinc/58/04/94/1018580494.db2.gz QQSPOLCVXMNPON-UHFFFAOYSA-N -1 0 318.355 -0.403 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)N(C)C ZINC001605440259 1018581152 /nfs/dbraw/zinc/58/11/52/1018581152.db2.gz BNVJTRHTODHSLL-LURJTMIESA-N -1 0 314.327 -0.785 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N(OC)[C@@H](C)CC(=O)[O-] ZINC001605432622 1018582282 /nfs/dbraw/zinc/58/22/82/1018582282.db2.gz UFWAGFLQNIMPEW-VIFPVBQESA-N -1 0 310.372 -0.089 20 0 DBADRM Cc1nnc(N2CCN(C(=O)c3cc(C(=O)[O-])n[nH]3)CC2)n1C ZINC001605444683 1018585027 /nfs/dbraw/zinc/58/50/27/1018585027.db2.gz PNLWWDFNRRKGQT-UHFFFAOYSA-N -1 0 319.325 -0.493 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)n1C ZINC001605441353 1018585263 /nfs/dbraw/zinc/58/52/63/1018585263.db2.gz UQYVQVRAPHSFGI-WPRPVWTQSA-N -1 0 323.353 -0.691 20 0 DBADRM CCN(CCNc1ccc2nnnn2n1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001605448041 1018585286 /nfs/dbraw/zinc/58/52/86/1018585286.db2.gz PCQCUMRYOJFTAB-RKDXNWHRSA-N -1 0 319.325 -0.500 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)n1C ZINC001605441100 1018586493 /nfs/dbraw/zinc/58/64/93/1018586493.db2.gz OLYRNOLTHSWBLJ-SCZZXKLOSA-N -1 0 323.353 -0.691 20 0 DBADRM CCN(CCNc1ccnc(C(=O)[O-])n1)C(=O)Cc1nnc[nH]1 ZINC001605447785 1018586580 /nfs/dbraw/zinc/58/65/80/1018586580.db2.gz ICSGOVZTANVWJD-UHFFFAOYSA-N -1 0 319.325 -0.782 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)n1 ZINC001605448658 1018586667 /nfs/dbraw/zinc/58/66/67/1018586667.db2.gz GRLARVYOGDFLMT-UHFFFAOYSA-N -1 0 322.281 -0.744 20 0 DBADRM Cc1nonc1CNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001605455387 1018588645 /nfs/dbraw/zinc/58/86/45/1018588645.db2.gz PHPZLKFPSMIIMW-UHFFFAOYSA-N -1 0 310.310 -0.246 20 0 DBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)NCCO ZINC001605457620 1018589342 /nfs/dbraw/zinc/58/93/42/1018589342.db2.gz SRBPZSAFAIRQLY-UHFFFAOYSA-N -1 0 306.326 -0.375 20 0 DBADRM Cc1noc(CCC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001605448865 1018589420 /nfs/dbraw/zinc/58/94/20/1018589420.db2.gz MMIWRUGDDZOILM-SNVBAGLBSA-N -1 0 324.337 -0.107 20 0 DBADRM CCN(CCS(C)(=O)=O)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001605452664 1018589984 /nfs/dbraw/zinc/58/99/84/1018589984.db2.gz BJCSJUFFWGRFCC-UHFFFAOYSA-N -1 0 320.411 -0.324 20 0 DBADRM Cc1nonc1CNC(=O)NCCOCCOCC(=O)[O-] ZINC001605455298 1018590144 /nfs/dbraw/zinc/59/01/44/1018590144.db2.gz GWIXZEPJXGPEQF-UHFFFAOYSA-N -1 0 302.287 -0.705 20 0 DBADRM Cc1noc(CNC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC001605450002 1018591264 /nfs/dbraw/zinc/59/12/64/1018591264.db2.gz XAEQXZQCVQJUFR-APPZFPTMSA-N -1 0 310.310 -0.437 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001605461876 1018592531 /nfs/dbraw/zinc/59/25/31/1018592531.db2.gz AWKTXQWMBTZLMG-UHFFFAOYSA-N -1 0 319.339 -0.589 20 0 DBADRM CCN1C(=O)[C@H]2CN(c3cncc(C(=O)[O-])n3)CCN2C1=O ZINC001605464243 1018593594 /nfs/dbraw/zinc/59/35/94/1018593594.db2.gz CTYJBEMHESBPOI-SECBINFHSA-N -1 0 305.294 -0.353 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1=O ZINC001605470265 1018593661 /nfs/dbraw/zinc/59/36/61/1018593661.db2.gz ABYKNKBCVQNOLY-UWVGGRQHSA-N -1 0 304.368 -0.220 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CCCc2cnoc2)c(=O)n1C ZINC001605463481 1018594209 /nfs/dbraw/zinc/59/42/09/1018594209.db2.gz XTXPLYATPMCTPP-UHFFFAOYSA-N -1 0 317.309 -0.344 20 0 DBADRM CCN1C[C@@H](C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)CC1=O ZINC001605465781 1018594248 /nfs/dbraw/zinc/59/42/48/1018594248.db2.gz IMLCBYUXOLDGRJ-QMMMGPOBSA-N -1 0 306.322 -0.098 20 0 DBADRM Cn1c(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)nnc1C1CC1 ZINC001605473520 1018597090 /nfs/dbraw/zinc/59/70/90/1018597090.db2.gz WBPIJXMAWYRKBP-SECBINFHSA-N -1 0 321.337 -0.046 20 0 DBADRM CCN1CCN(CC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C(=O)C1=O ZINC001605481652 1018598404 /nfs/dbraw/zinc/59/84/04/1018598404.db2.gz BMHDJUKPEJSOOP-BMIGLBTASA-N -1 0 323.349 -0.857 20 0 DBADRM CCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1=O ZINC001605472161 1018598593 /nfs/dbraw/zinc/59/85/93/1018598593.db2.gz HWGIYEOXQORKGO-SECBINFHSA-N -1 0 322.321 -0.601 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CC1=O ZINC001605471689 1018598722 /nfs/dbraw/zinc/59/87/22/1018598722.db2.gz SEBPEQITMRXVMV-AEJSXWLSSA-N -1 0 320.367 -0.889 20 0 DBADRM CCN1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])CC1 ZINC001605480490 1018599063 /nfs/dbraw/zinc/59/90/63/1018599063.db2.gz XWXCKAJLNFDSRL-UHFFFAOYSA-N -1 0 300.359 -0.686 20 0 DBADRM CCN1CCO[C@H](C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)C1 ZINC001605483097 1018599470 /nfs/dbraw/zinc/59/94/70/1018599470.db2.gz ZWCLDVWBXWAEQM-TUAOUCFPSA-N -1 0 300.355 -0.439 20 0 DBADRM CCN1CCO[C@@H](C(=O)N[C@]2(CC(=O)[O-])CCCOC2)C1 ZINC001605482711 1018600201 /nfs/dbraw/zinc/60/02/01/1018600201.db2.gz ATRSHPOKJHPQLG-RISCZKNCSA-N -1 0 300.355 -0.153 20 0 DBADRM Cn1cnnc1SCC(=O)NC1(C(=O)[O-])CCOCC1 ZINC001605528673 1018614283 /nfs/dbraw/zinc/61/42/83/1018614283.db2.gz QBXTUNNVRCISHL-UHFFFAOYSA-N -1 0 300.340 -0.343 20 0 DBADRM CCN1CCO[C@H](C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])C1 ZINC001605483107 1018600966 /nfs/dbraw/zinc/60/09/66/1018600966.db2.gz ZZXCTHAFGXUCFB-QWRGUYRKSA-N -1 0 313.379 -0.024 20 0 DBADRM Cn1cc(C(=O)OCC(=O)NCC(=O)[O-])c(Br)n1 ZINC001605483206 1018601264 /nfs/dbraw/zinc/60/12/64/1018601264.db2.gz DPTVSISHXXNSNW-UHFFFAOYSA-N -1 0 320.099 -0.460 20 0 DBADRM CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001605489107 1018601802 /nfs/dbraw/zinc/60/18/02/1018601802.db2.gz DBWVKDZZHMMQKE-AOOOYVTPSA-N -1 0 321.337 -0.240 20 0 DBADRM Cn1cc(CNC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)cn1 ZINC001605496997 1018603655 /nfs/dbraw/zinc/60/36/55/1018603655.db2.gz TZXMYBHTGMHZFB-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)[C@H]3COC(=O)N3)C2)cn1 ZINC001605491300 1018603784 /nfs/dbraw/zinc/60/37/84/1018603784.db2.gz POYQFXXICAGWMA-ATZCPNFKSA-N -1 0 322.321 -0.455 20 0 DBADRM Cn1cc(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)nn1 ZINC001605497169 1018604091 /nfs/dbraw/zinc/60/40/91/1018604091.db2.gz XUHUBXFUNSGINT-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM CCNC(=O)CC(=O)N[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001605490231 1018604328 /nfs/dbraw/zinc/60/43/28/1018604328.db2.gz RNEOTMRLDAVLNT-QMMMGPOBSA-N -1 0 309.326 -0.382 20 0 DBADRM Cn1cc(CCOC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)cn1 ZINC001605491246 1018604386 /nfs/dbraw/zinc/60/43/86/1018604386.db2.gz UPOXORBEWQOGNI-NSHDSACASA-N -1 0 309.322 -0.171 20 0 DBADRM CCNC(=O)C1(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])CCC1 ZINC001605489481 1018604855 /nfs/dbraw/zinc/60/48/55/1018604855.db2.gz HPIIKVJPBFEAIE-SECBINFHSA-N -1 0 306.384 -0.067 20 0 DBADRM CCNC(=O)CN(CC)C(=O)COCc1ocnc1C(=O)[O-] ZINC001605493120 1018605506 /nfs/dbraw/zinc/60/55/06/1018605506.db2.gz IVHLMZZPYLQRJK-UHFFFAOYSA-N -1 0 313.310 -0.126 20 0 DBADRM CCNC(=O)CC(=O)N(C)CCN(C)c1ncc(C(=O)[O-])cn1 ZINC001605490589 1018605646 /nfs/dbraw/zinc/60/56/46/1018605646.db2.gz ULTOSGWVYGQMNG-UHFFFAOYSA-N -1 0 323.353 -0.404 20 0 DBADRM Cn1cc(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c(C(N)=O)n1 ZINC001605502104 1018607419 /nfs/dbraw/zinc/60/74/19/1018607419.db2.gz XKDYVLVWWJXNHN-CPFSXVBKSA-N -1 0 323.309 -0.916 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(c2nccc(C(=O)[O-])n2)C1 ZINC001605499222 1018608097 /nfs/dbraw/zinc/60/80/97/1018608097.db2.gz VQEHBUVFFBELLJ-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM Cn1cc([C@@H]2C[C@H]2CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cn1 ZINC001605501337 1018608155 /nfs/dbraw/zinc/60/81/55/1018608155.db2.gz MJJRSQSHFTWYBR-WCQGTBRESA-N -1 0 313.379 -0.293 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC(=O)N[C@@H](C)C1 ZINC001605506689 1018608200 /nfs/dbraw/zinc/60/82/00/1018608200.db2.gz LUAWXYIMHBFRIB-ZETCQYMHSA-N -1 0 317.309 -0.764 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@@H](C)CC(N)=O ZINC001605506748 1018608716 /nfs/dbraw/zinc/60/87/16/1018608716.db2.gz OPSUUJROWAAABY-LURJTMIESA-N -1 0 305.298 -0.731 20 0 DBADRM Cn1cnc(-c2nnc3n2CCN(C(=O)C2(C(=O)[O-])CC2)C3)c1 ZINC001605519668 1018609995 /nfs/dbraw/zinc/60/99/95/1018609995.db2.gz MUORKBQCUGQYOW-UHFFFAOYSA-N -1 0 316.321 -0.114 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1)C(C)=O ZINC001605510173 1018610720 /nfs/dbraw/zinc/61/07/20/1018610720.db2.gz ZJCOYOGPOLLRCR-DVVUODLYSA-N -1 0 315.322 -0.155 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC001605510659 1018610939 /nfs/dbraw/zinc/61/09/39/1018610939.db2.gz VFOUQDHWHSOEJV-DTWKUNHWSA-N -1 0 316.321 -0.057 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)n(CC(=O)Nc2ccon2)c1 ZINC001605510581 1018611220 /nfs/dbraw/zinc/61/12/20/1018611220.db2.gz FANCRPULEAEFKW-UHFFFAOYSA-N -1 0 301.266 -0.036 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCc2c(=O)[nH]n(C)c2C1 ZINC001605533357 1018612609 /nfs/dbraw/zinc/61/26/09/1018612609.db2.gz AEFRQJRANICCDW-UHFFFAOYSA-N -1 0 305.294 -0.244 20 0 DBADRM Cn1cnc2cncc(C(=O)NCCOCCOCC(=O)[O-])c21 ZINC001605522208 1018612836 /nfs/dbraw/zinc/61/28/36/1018612836.db2.gz AHLDWQWSXWNBSH-UHFFFAOYSA-N -1 0 322.321 -0.184 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001605534129 1018613325 /nfs/dbraw/zinc/61/33/25/1018613325.db2.gz UGZDQICTXGCJNP-JTQLQIEISA-N -1 0 310.354 -0.305 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])CCC1 ZINC001605520681 1018614614 /nfs/dbraw/zinc/61/46/14/1018614614.db2.gz HXEVDGZCQXFEQL-BDAKNGLRSA-N -1 0 321.351 -0.678 20 0 DBADRM Cn1cnnc1CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001605522592 1018614875 /nfs/dbraw/zinc/61/48/75/1018614875.db2.gz GTSLDWZSGKZMIM-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM CCOC(=O)CCC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001605535030 1018616678 /nfs/dbraw/zinc/61/66/78/1018616678.db2.gz MTTMFGPCOFHWSE-UHFFFAOYSA-N -1 0 316.354 -0.425 20 0 DBADRM CCOC(=O)N(C)CCCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001605544046 1018617593 /nfs/dbraw/zinc/61/75/93/1018617593.db2.gz WLCJMEGKDUEERR-ZJUUUORDSA-N -1 0 302.327 -0.099 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001605539477 1018617709 /nfs/dbraw/zinc/61/77/09/1018617709.db2.gz PHRURKJBZQMDQU-UHFFFAOYSA-N -1 0 322.317 -0.196 20 0 DBADRM CCOC(=O)CCCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001605538157 1018618005 /nfs/dbraw/zinc/61/80/05/1018618005.db2.gz LAUKMEJHRFBEFP-SNVBAGLBSA-N -1 0 314.338 -0.231 20 0 DBADRM CCOC(=O)Cn1ccc(NC(=O)N2CC(O)(C(=O)[O-])C2)n1 ZINC001605544077 1018618073 /nfs/dbraw/zinc/61/80/73/1018618073.db2.gz XXJBLLURNIMOMM-UHFFFAOYSA-N -1 0 312.282 -0.891 20 0 DBADRM CCOC(=O)N1CSC[C@@H]1C(=O)NCC[C@H](O)C(=O)[O-] ZINC001605552911 1018620546 /nfs/dbraw/zinc/62/05/46/1018620546.db2.gz ZLGNVYIFSKPSIX-SFYZADRCSA-N -1 0 306.340 -0.530 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN(CCO)CCN1CCOCC1 ZINC001605549545 1018620720 /nfs/dbraw/zinc/62/07/20/1018620720.db2.gz AMNOZZGPVRIIGX-UHFFFAOYSA-N -1 0 312.370 -0.755 20 0 DBADRM CCOC(=O)N1C[C@H](CO)[C@H](NCc2cc(C(=O)[O-])no2)C1 ZINC001605547297 1018622330 /nfs/dbraw/zinc/62/23/30/1018622330.db2.gz MHERZXJCPOGGBT-LDYMZIIASA-N -1 0 313.310 -0.088 20 0 DBADRM Cn1nccc1[C@H](NC(=O)c1nc2ncccn2n1)C(=O)[O-] ZINC001605568492 1018623475 /nfs/dbraw/zinc/62/34/75/1018623475.db2.gz SACLCSSENUWCGK-QMMMGPOBSA-N -1 0 301.266 -0.587 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001605558253 1018623559 /nfs/dbraw/zinc/62/35/59/1018623559.db2.gz CJNLUBWGUGEOPN-HLTSFMKQSA-N -1 0 301.295 -0.482 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001605557958 1018624076 /nfs/dbraw/zinc/62/40/76/1018624076.db2.gz WRIDTZJPLROLBY-IVZWLZJFSA-N -1 0 312.322 -0.623 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001605558398 1018624115 /nfs/dbraw/zinc/62/41/15/1018624115.db2.gz QXEYGRPIGZBAIM-HBNTYKKESA-N -1 0 319.379 -0.241 20 0 DBADRM Cn1nccc1[C@@H](NCc1nnn(CC(F)(F)F)n1)C(=O)[O-] ZINC001605569671 1018624156 /nfs/dbraw/zinc/62/41/56/1018624156.db2.gz IDYIQWUDLZZMBJ-MRVPVSSYSA-N -1 0 319.247 -0.116 20 0 DBADRM CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC1(C(=O)[O-])CC1 ZINC001605578478 1018626869 /nfs/dbraw/zinc/62/68/69/1018626869.db2.gz YVBOZSXHEPUPEI-UHFFFAOYSA-N -1 0 324.293 -0.731 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC001605575929 1018626976 /nfs/dbraw/zinc/62/69/76/1018626976.db2.gz GUUPNNSEVPJJOA-ZDUSSCGKSA-N -1 0 306.322 -0.344 20 0 DBADRM Cn1nnc(NC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)n1 ZINC001605571647 1018628642 /nfs/dbraw/zinc/62/86/42/1018628642.db2.gz XQNXREODEVMOCJ-UWZOBUBJSA-N -1 0 310.314 -0.256 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NC[C@@H]2CN3CCN2CC3)n1 ZINC001605575990 1018628763 /nfs/dbraw/zinc/62/87/63/1018628763.db2.gz REPKHVKOEKZDBT-SNVBAGLBSA-N -1 0 301.358 -0.623 20 0 DBADRM Cn1nccc1COCC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001605571478 1018629269 /nfs/dbraw/zinc/62/92/69/1018629269.db2.gz USUBCCGEKNKMFP-HZMBPMFUSA-N -1 0 309.322 -0.504 20 0 DBADRM CCO[C@@H]1C[C@@](NC(=O)COCC(=O)OC)(C(=O)[O-])C1(C)C ZINC001605604980 1018630510 /nfs/dbraw/zinc/63/05/10/1018630510.db2.gz PXWNKHQIVABLPQ-YMTOWFKASA-N -1 0 317.338 -0.049 20 0 DBADRM CCOC1(CS(=O)(=O)N2CC(O)(C(=O)[O-])C2)CCOCC1 ZINC001605595938 1018632532 /nfs/dbraw/zinc/63/25/32/1018632532.db2.gz PLIPWNJIGVWLMI-UHFFFAOYSA-N -1 0 323.367 -0.967 20 0 DBADRM CCO[C@H](CC)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001605591177 1018632809 /nfs/dbraw/zinc/63/28/09/1018632809.db2.gz ZEOFCTANFHRYKR-NXEZZACHSA-N -1 0 307.368 -0.098 20 0 DBADRM CCO[C@@H](CC)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001605591179 1018632910 /nfs/dbraw/zinc/63/29/10/1018632910.db2.gz ZEOFCTANFHRYKR-UWVGGRQHSA-N -1 0 307.368 -0.098 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)CC(=O)NC(=O)NCC(C)C ZINC001605624921 1018634333 /nfs/dbraw/zinc/63/43/33/1018634333.db2.gz PQDUNLXQLMQVFY-JTQLQIEISA-N -1 0 303.359 -0.110 20 0 DBADRM CCOC1CC2(C[C@H]2C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC001605615398 1018634917 /nfs/dbraw/zinc/63/49/17/1018634917.db2.gz MPNBIENUBHZIIH-SSOKKCIESA-N -1 0 310.350 -0.007 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001605618457 1018635232 /nfs/dbraw/zinc/63/52/32/1018635232.db2.gz KZRXDGALLCDODH-DTWKUNHWSA-N -1 0 312.326 -0.506 20 0 DBADRM CCO[C@H]1COCC[C@@H]1NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001605616957 1018635296 /nfs/dbraw/zinc/63/52/96/1018635296.db2.gz UJDAVMCIPBNWGA-UWVGGRQHSA-N -1 0 307.368 -0.035 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)CC(=O)N[C@H](C(=O)OC)C(C)C ZINC001605623829 1018635531 /nfs/dbraw/zinc/63/55/31/1018635531.db2.gz GMEKZTLJFQGEGD-JQWIXIFHSA-N -1 0 318.370 -0.278 20 0 DBADRM CCOCC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001605617952 1018635867 /nfs/dbraw/zinc/63/58/67/1018635867.db2.gz DSWGYXUZPMCICT-QUNCOHTASA-N -1 0 319.379 -0.050 20 0 DBADRM CCO[C@H]1COCC[C@H]1CC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001605615238 1018636118 /nfs/dbraw/zinc/63/61/18/1018636118.db2.gz DRKDGGOAUXKOHS-QCNOEVLYSA-N -1 0 301.339 -0.136 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1(N(C)C)CC1 ZINC001605625837 1018636352 /nfs/dbraw/zinc/63/63/52/1018636352.db2.gz WXILXUSKFNQGEB-JTQLQIEISA-N -1 0 308.400 -0.168 20 0 DBADRM NC(=O)[C@@H](F)C1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001605626696 1018637505 /nfs/dbraw/zinc/63/75/05/1018637505.db2.gz JLFXKSFDYKWJNW-IUCAKERBSA-N -1 0 301.274 -0.722 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CCO1 ZINC001605627393 1018637745 /nfs/dbraw/zinc/63/77/45/1018637745.db2.gz ABNYQVXRFQRKIX-GARJFASQSA-N -1 0 314.338 -0.641 20 0 DBADRM NC(=O)C1(CNC(=O)C2(C(=O)[O-])CCOCC2)CCOCC1 ZINC001605627230 1018638353 /nfs/dbraw/zinc/63/83/53/1018638353.db2.gz XRZYSXCMBJPZMW-UHFFFAOYSA-N -1 0 314.338 -0.734 20 0 DBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)C1(C(=O)[O-])CC=CC1 ZINC001605627638 1018638423 /nfs/dbraw/zinc/63/84/23/1018638423.db2.gz JCBSCPFJRIZDPK-SNVBAGLBSA-N -1 0 324.333 -0.183 20 0 DBADRM NC(=O)c1cn(CCOC(=O)[C@H](C(=O)[O-])C2CCCC2)nn1 ZINC001605643049 1018639959 /nfs/dbraw/zinc/63/99/59/1018639959.db2.gz TYCOHBUGWYYLGW-JTQLQIEISA-N -1 0 310.310 -0.189 20 0 DBADRM CCOC[C@H](C)NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001605640818 1018640147 /nfs/dbraw/zinc/64/01/47/1018640147.db2.gz KPFGZTNBWWKFAW-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM CCOC[C@H](C)NC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605641130 1018640405 /nfs/dbraw/zinc/64/04/05/1018640405.db2.gz SSRRWLYLHQZDBH-LPEHRKFASA-N -1 0 302.327 -0.073 20 0 DBADRM NC(=O)c1csc(NC(=O)c2cccn(CC(=O)[O-])c2=O)n1 ZINC001605642487 1018640464 /nfs/dbraw/zinc/64/04/64/1018640464.db2.gz DGZHWBUOTMHMED-UHFFFAOYSA-N -1 0 322.302 -0.259 20 0 DBADRM NC(=O)c1ccc(/C=C/C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)o1 ZINC001605638421 1018640681 /nfs/dbraw/zinc/64/06/81/1018640681.db2.gz ARRLJEBLHGBTDH-YWNRKNDBSA-N -1 0 322.273 -0.380 20 0 DBADRM NC(=O)c1csc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC001605642786 1018640814 /nfs/dbraw/zinc/64/08/14/1018640814.db2.gz KIBCAGBDTQYHOU-SSDOTTSWSA-N -1 0 314.323 -0.763 20 0 DBADRM CCOCCn1cc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])cn1 ZINC001605640485 1018640968 /nfs/dbraw/zinc/64/09/68/1018640968.db2.gz HVKAPXFWACNOOM-NSHDSACASA-N -1 0 324.337 -0.713 20 0 DBADRM NC(=O)c1ccc(CC(=O)NCC2(C(=O)[O-])CCOCC2)cn1 ZINC001605639528 1018641440 /nfs/dbraw/zinc/64/14/40/1018641440.db2.gz QQFZETGGTWGFGK-UHFFFAOYSA-N -1 0 321.333 -0.279 20 0 DBADRM NC(=O)Cc1ccc(NC(=O)c2cn(CC(=O)[O-])nn2)cc1 ZINC001605634578 1018641565 /nfs/dbraw/zinc/64/15/65/1018641565.db2.gz PQYYWETUFCQVOF-UHFFFAOYSA-N -1 0 303.278 -0.357 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)c2ccc(C(=O)[O-])cn2)CCC1 ZINC001605642921 1018641641 /nfs/dbraw/zinc/64/16/41/1018641641.db2.gz JKSLPEZJFDXBTN-UHFFFAOYSA-N -1 0 313.335 -0.279 20 0 DBADRM CCON(CC)C(=O)CNC(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001605648493 1018642676 /nfs/dbraw/zinc/64/26/76/1018642676.db2.gz OHPFHYRGLMEOKR-CYBMUJFWSA-N -1 0 317.342 -0.329 20 0 DBADRM N[C@@H](CC(=O)[O-])c1noc(CS[C@H]2CCS(=O)(=O)C2)n1 ZINC001605653506 1018642991 /nfs/dbraw/zinc/64/29/91/1018642991.db2.gz MRZQDWVGHTXOSJ-BQBZGAKWSA-N -1 0 321.380 -0.036 20 0 DBADRM CCO[C@H]1C[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC001605652250 1018643671 /nfs/dbraw/zinc/64/36/71/1018643671.db2.gz OSJXQQUCVHKHGA-DTORHVGOSA-N -1 0 303.340 -0.187 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001605651333 1018644112 /nfs/dbraw/zinc/64/41/12/1018644112.db2.gz ABMVSOINNSUNAY-IJLUTSLNSA-N -1 0 316.354 -0.343 20 0 DBADRM Nc1nnn(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC001605660466 1018645615 /nfs/dbraw/zinc/64/56/15/1018645615.db2.gz ONPQABIOBNQOTQ-ZJUUUORDSA-N -1 0 302.294 -0.315 20 0 DBADRM O=C(C[C@H]1CCNC1=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001605670855 1018646024 /nfs/dbraw/zinc/64/60/24/1018646024.db2.gz XOYINXJAIBZFES-SSDOTTSWSA-N -1 0 308.294 -0.424 20 0 DBADRM O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001605669632 1018646115 /nfs/dbraw/zinc/64/61/15/1018646115.db2.gz MGGCVGRPYHUFTF-DZIUIEAZSA-N -1 0 324.333 -0.432 20 0 DBADRM CCOc1ccc(C(=O)NCC(=O)NC[C@@H](O)CC(=O)[O-])cc1 ZINC001605679166 1018646165 /nfs/dbraw/zinc/64/61/65/1018646165.db2.gz CZTHVVHABIIXQY-NSHDSACASA-N -1 0 324.333 -0.233 20 0 DBADRM O=C([O-])[C@]1(C(=O)NCCC(=O)NCc2ccccn2)CCCO1 ZINC001605680439 1018646213 /nfs/dbraw/zinc/64/62/13/1018646213.db2.gz PPMWSVLFLNGGCC-OAHLLOKOSA-N -1 0 321.333 -0.162 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@@H]1CCCc3nn[nH]c31)C2 ZINC001605660311 1018646542 /nfs/dbraw/zinc/64/65/42/1018646542.db2.gz LYPPUDRCFQGCIX-RFXMVYNHSA-N -1 0 306.322 -0.216 20 0 DBADRM CCOc1cc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)on1 ZINC001605659368 1018647540 /nfs/dbraw/zinc/64/75/40/1018647540.db2.gz XZNZNAGISPJHMG-UHFFFAOYSA-N -1 0 321.293 -0.175 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@@H]1CCCN(C3CC3)C1=O)C2 ZINC001605660487 1018647699 /nfs/dbraw/zinc/64/76/99/1018647699.db2.gz PKFJSMKWMDUFKD-RSAASHCRSA-N -1 0 322.361 -0.053 20 0 DBADRM CCS(=O)(=O)C1CN([C@@H]2CCCN(CCC(=O)[O-])C2=O)C1 ZINC001605718782 1018648745 /nfs/dbraw/zinc/64/87/45/1018648745.db2.gz LMVFXKYMSUJQCK-LLVKDONJSA-N -1 0 318.395 -0.429 20 0 DBADRM CCOc1cccc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001605707933 1018649189 /nfs/dbraw/zinc/64/91/89/1018649189.db2.gz VZRHLBXWZUZYDL-SNVBAGLBSA-N -1 0 310.306 -0.024 20 0 DBADRM CCOc1nc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)co1 ZINC001605718749 1018649583 /nfs/dbraw/zinc/64/95/83/1018649583.db2.gz CVOLDHHWWOSCSZ-DTWKUNHWSA-N -1 0 323.305 -0.265 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)CCNC(=O)CO)O2 ZINC001605699709 1018649819 /nfs/dbraw/zinc/64/98/19/1018649819.db2.gz ZJMQRITWAHLGAO-XIRUVYRFSA-N -1 0 314.338 -0.986 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605721139 1018650405 /nfs/dbraw/zinc/65/04/05/1018650405.db2.gz QSKHKTHGHPZEIB-HLTSFMKQSA-N -1 0 313.397 -0.408 20 0 DBADRM O=C([O-])[C@]1(NC(=O)CNC(=O)Cc2ccc(O)cc2)CCOC1 ZINC001605709426 1018650491 /nfs/dbraw/zinc/65/04/91/1018650491.db2.gz IUXPZEGLHHBZIE-HNNXBMFYSA-N -1 0 322.317 -0.589 20 0 DBADRM CCOc1nc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)co1 ZINC001605718751 1018650496 /nfs/dbraw/zinc/65/04/96/1018650496.db2.gz CVOLDHHWWOSCSZ-RKDXNWHRSA-N -1 0 323.305 -0.265 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC001605727824 1018651638 /nfs/dbraw/zinc/65/16/38/1018651638.db2.gz PFTORUMHTRIMOW-RKDXNWHRSA-N -1 0 308.356 -0.984 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001605724642 1018651780 /nfs/dbraw/zinc/65/17/80/1018651780.db2.gz BHOPDXJSOCABOF-UHFFFAOYSA-N -1 0 315.351 -0.323 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001605725858 1018652451 /nfs/dbraw/zinc/65/24/51/1018652451.db2.gz JSAUSEUQNMXYIM-RNFRBKRXSA-N -1 0 314.310 -0.365 20 0 DBADRM CCS(=O)(=O)CC(=O)OCc1noc(CCC(=O)[O-])n1 ZINC001605721238 1018652478 /nfs/dbraw/zinc/65/24/78/1018652478.db2.gz TZSNAQMJFDYHBX-UHFFFAOYSA-N -1 0 306.296 -0.435 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)O[C@@H](COC)C(=O)[O-])C1 ZINC001605725000 1018652490 /nfs/dbraw/zinc/65/24/90/1018652490.db2.gz DEOBTNBCBWTXHA-ZJUUUORDSA-N -1 0 323.367 -0.309 20 0 DBADRM CCS(=O)(=O)CCN(C)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001605727064 1018652601 /nfs/dbraw/zinc/65/26/01/1018652601.db2.gz WRIIMVXBYZWFKI-UHFFFAOYSA-N -1 0 313.397 -0.310 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001605725826 1018652877 /nfs/dbraw/zinc/65/28/77/1018652877.db2.gz IIQMXDPTLKBQHI-WCBMZHEXSA-N -1 0 306.384 -0.069 20 0 DBADRM CCS(=O)(=O)N1CCN(C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)CC1 ZINC001605726184 1018653378 /nfs/dbraw/zinc/65/33/78/1018653378.db2.gz OLMFWENFMVRAEV-BDAKNGLRSA-N -1 0 312.338 -0.080 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001605736679 1018654099 /nfs/dbraw/zinc/65/40/99/1018654099.db2.gz PMJATELGLWKRQS-YBYGRFCBSA-N -1 0 304.368 -0.663 20 0 DBADRM CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC001605732905 1018654293 /nfs/dbraw/zinc/65/42/93/1018654293.db2.gz ILZPQXJGZFXXKH-JTQLQIEISA-N -1 0 301.320 -0.345 20 0 DBADRM CCS(=O)(=O)NCC(=O)Nc1cccc(C(=O)[O-])c1O ZINC001605728119 1018654502 /nfs/dbraw/zinc/65/45/02/1018654502.db2.gz XTABBHCVFYYNQN-UHFFFAOYSA-N -1 0 302.308 -0.032 20 0 DBADRM CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)NC2(C(=O)[O-])CC2)c1 ZINC001605730269 1018656765 /nfs/dbraw/zinc/65/67/65/1018656765.db2.gz AWIKJZYLYKTTKG-UHFFFAOYSA-N -1 0 314.319 -0.072 20 0 DBADRM CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001605754369 1018657894 /nfs/dbraw/zinc/65/78/94/1018657894.db2.gz NLBLJMNCGKBPPS-BFVZDQMLSA-N -1 0 314.338 -0.628 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CC[C@@H](O)[C@@H](F)C2)CCOCC1 ZINC001605761140 1018657989 /nfs/dbraw/zinc/65/79/89/1018657989.db2.gz PKOMBVYRAXECJV-VHSXEESVSA-N -1 0 304.318 -0.018 20 0 DBADRM CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001605754170 1018658841 /nfs/dbraw/zinc/65/88/41/1018658841.db2.gz IMDWLIUMTVGUBF-AXFHLTTASA-N -1 0 314.338 -0.628 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC2CCSCC2)CCO1 ZINC001605752614 1018658994 /nfs/dbraw/zinc/65/89/94/1018658994.db2.gz KHRJUHUDIZINSQ-VIFPVBQESA-N -1 0 302.352 -0.690 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001605764348 1018660004 /nfs/dbraw/zinc/66/00/04/1018660004.db2.gz AELLUCTXLZJHNK-VDDIYKPWSA-N -1 0 320.367 -0.912 20 0 DBADRM CCc1n[nH]cc1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001605777154 1018661231 /nfs/dbraw/zinc/66/12/31/1018661231.db2.gz CLNXZPJXSDQBIL-UWVGGRQHSA-N -1 0 320.349 -0.023 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1C(=O)N[C@H]1CC(=O)N(C)C1=O ZINC001605791508 1018662494 /nfs/dbraw/zinc/66/24/94/1018662494.db2.gz UXZORJWRHKLECR-JTQLQIEISA-N -1 0 314.305 -0.338 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCCCn1cncn1 ZINC001605780393 1018663145 /nfs/dbraw/zinc/66/31/45/1018663145.db2.gz HFMUMIARWUFUND-UHFFFAOYSA-N -1 0 318.293 -0.484 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)C(=O)N2CC=C[C@@H]2CO)c1 ZINC001605800933 1018663297 /nfs/dbraw/zinc/66/32/97/1018663297.db2.gz RRRGFLLEXOJJQA-GFCCVEGCSA-N -1 0 304.302 -0.240 20 0 DBADRM CCc1c(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)[nH]c(C)c1C(N)=O ZINC001605777187 1018663541 /nfs/dbraw/zinc/66/35/41/1018663541.db2.gz FDSCOZBHHHEMRW-IUCAKERBSA-N -1 0 323.349 -0.108 20 0 DBADRM CCc1cnc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])o1 ZINC001605839300 1018664244 /nfs/dbraw/zinc/66/42/44/1018664244.db2.gz LWFQZKSTRXQYNW-WPRPVWTQSA-N -1 0 322.321 -0.184 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001605840115 1018664566 /nfs/dbraw/zinc/66/45/66/1018664566.db2.gz ISFVELGJEQEDTP-ZETCQYMHSA-N -1 0 306.282 -0.012 20 0 DBADRM CCc1cccc2c1N(C(=O)C(=O)N1CC(O)(C(=O)[O-])C1)CC2 ZINC001605831735 1018665114 /nfs/dbraw/zinc/66/51/14/1018665114.db2.gz WESGFSADGQGDQR-UHFFFAOYSA-N -1 0 318.329 -0.204 20 0 DBADRM CCc1nc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])no1 ZINC001605850115 1018665555 /nfs/dbraw/zinc/66/55/55/1018665555.db2.gz BFLMQVZUKVIFIH-YUMQZZPRSA-N -1 0 323.309 -0.789 20 0 DBADRM CCc1nnc([C@H](C)[S@@](=O)C[C@H](NC(C)=O)C(=O)[O-])[nH]1 ZINC001605842585 1018666013 /nfs/dbraw/zinc/66/60/13/1018666013.db2.gz NDKQIJZMIKWFQO-ZDGQDVPWSA-N -1 0 302.356 -0.234 20 0 DBADRM CCc1nnc(CNC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)[nH]1 ZINC001605850550 1018666383 /nfs/dbraw/zinc/66/63/83/1018666383.db2.gz PQVGTCZVXIOEJL-LLVKDONJSA-N -1 0 311.342 -0.266 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2cccc(F)n2)CCO1 ZINC001605806413 1018667252 /nfs/dbraw/zinc/66/72/52/1018667252.db2.gz CPJWURIPAOMKHR-VIFPVBQESA-N -1 0 311.269 -0.851 20 0 DBADRM CCc1nnsc1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001605873045 1018668309 /nfs/dbraw/zinc/66/83/09/1018668309.db2.gz DXISXKAZIKGSFL-UHFFFAOYSA-N -1 0 322.350 -0.148 20 0 DBADRM CCc1nnc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)o1 ZINC001605869780 1018668849 /nfs/dbraw/zinc/66/88/49/1018668849.db2.gz LIJRVOXXLBXRHE-AWEZNQCLSA-N -1 0 310.354 -0.007 20 0 DBADRM CCc1nncn1CCNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001605872984 1018668891 /nfs/dbraw/zinc/66/88/91/1018668891.db2.gz BBQRJAVEKRWOPG-UHFFFAOYSA-N -1 0 322.329 -0.870 20 0 DBADRM CCc1noc(CN2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001605877671 1018669286 /nfs/dbraw/zinc/66/92/86/1018669286.db2.gz PVIUYDLOEOBWOF-ZJUUUORDSA-N -1 0 308.338 -0.005 20 0 DBADRM O=C([O-])C(=O)N1CCN(Cc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC001605885743 1018671466 /nfs/dbraw/zinc/67/14/66/1018671466.db2.gz GVXWLRAKDSGNRV-NSHDSACASA-N -1 0 323.353 -0.957 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001605903960 1018671982 /nfs/dbraw/zinc/67/19/82/1018671982.db2.gz PHSCNNCNRSVPLX-MNOVXSKESA-N -1 0 312.347 -0.229 20 0 DBADRM CCn1cc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001605915014 1018672024 /nfs/dbraw/zinc/67/20/24/1018672024.db2.gz AJMKBLSKWYMJST-VHSXEESVSA-N -1 0 321.337 -0.699 20 0 DBADRM O=C([O-])[C@@H](C(=O)N1CCO[C@@H](CN2CCOCC2)C1)C1CC1 ZINC001605892826 1018672079 /nfs/dbraw/zinc/67/20/79/1018672079.db2.gz HSVNXHQYMCHSRI-QWHCGFSZSA-N -1 0 312.366 -0.343 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCCn1ncnn1 ZINC001605886887 1018672340 /nfs/dbraw/zinc/67/23/40/1018672340.db2.gz SWUCELVFPRWCLS-UHFFFAOYSA-N -1 0 315.311 -0.495 20 0 DBADRM CCn1cc(C(=O)C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])cn1 ZINC001605915030 1018672368 /nfs/dbraw/zinc/67/23/68/1018672368.db2.gz BPGFQKSBGMNZAF-AWEZNQCLSA-N -1 0 319.321 -0.058 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001605903959 1018673146 /nfs/dbraw/zinc/67/31/46/1018673146.db2.gz PHSCNNCNRSVPLX-GHMZBOCLSA-N -1 0 312.347 -0.229 20 0 DBADRM CCn1cc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)ccc1=O ZINC001605921322 1018674044 /nfs/dbraw/zinc/67/40/44/1018674044.db2.gz AOAIFVHRYVFNBU-UHFFFAOYSA-N -1 0 307.306 -0.070 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CCN(c3cccnn3)CC2)CCCO1 ZINC001605916171 1018674095 /nfs/dbraw/zinc/67/40/95/1018674095.db2.gz KSVRJPZAGXHUAJ-CQSZACIVSA-N -1 0 306.322 -0.241 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN(Cc3nc[nH]n3)CC2)CCOCC1 ZINC001605916088 1018674595 /nfs/dbraw/zinc/67/45/95/1018674595.db2.gz HBFGTUFIFBCAGL-UHFFFAOYSA-N -1 0 323.353 -0.670 20 0 DBADRM CCn1cc(CNC(=O)C23CC(C(=O)[O-])(C2)C3)c(=O)[nH]c1=O ZINC001605920863 1018674704 /nfs/dbraw/zinc/67/47/04/1018674704.db2.gz JFVCOWAZNLPJKL-UHFFFAOYSA-N -1 0 307.306 -0.160 20 0 DBADRM CCn1cc(CCN2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001605920319 1018674766 /nfs/dbraw/zinc/67/47/66/1018674766.db2.gz IYORGAUKUPKEQZ-OLZOCXBDSA-N -1 0 306.366 -0.033 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CCN3CCOC[C@@]3(CO)C2)CC=CCC1 ZINC001605916191 1018674885 /nfs/dbraw/zinc/67/48/85/1018674885.db2.gz LJEIURMFDKCZSL-JKSUJKDBSA-N -1 0 324.377 -0.297 20 0 DBADRM O=C([O-])C1(C(=O)N2C[C@@H](F)[C@@H](F)C2)CCS(=O)(=O)CC1 ZINC001605916844 1018674917 /nfs/dbraw/zinc/67/49/17/1018674917.db2.gz DTKKPOCCQNVCSV-OCAPTIKFSA-N -1 0 311.306 -0.216 20 0 DBADRM CCn1cc(CC[S@](=O)C[C@H](NC(C)=O)C(=O)[O-])cn1 ZINC001605920996 1018675169 /nfs/dbraw/zinc/67/51/69/1018675169.db2.gz RWCAYUYNPPTLLD-YBTHPKLGSA-N -1 0 301.368 -0.217 20 0 DBADRM CCn1cc(CNS(=O)(=O)CC2(C(=O)[O-])CCC2)nn1 ZINC001605922075 1018675516 /nfs/dbraw/zinc/67/55/16/1018675516.db2.gz HNCBFVQXSUHRKL-UHFFFAOYSA-N -1 0 302.356 -0.028 20 0 DBADRM CCn1ccc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1 ZINC001605927080 1018676493 /nfs/dbraw/zinc/67/64/93/1018676493.db2.gz DYJFMHKXLXSFPO-BDAKNGLRSA-N -1 0 310.310 -0.458 20 0 DBADRM CCn1nc(C)c(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001605939918 1018676706 /nfs/dbraw/zinc/67/67/06/1018676706.db2.gz PDZMSCOREUDFER-DTORHVGOSA-N -1 0 302.356 -0.111 20 0 DBADRM CCn1ccc(CC(=O)OCCc2cn(CC(=O)[O-])nn2)n1 ZINC001605927762 1018677010 /nfs/dbraw/zinc/67/70/10/1018677010.db2.gz NWCICANSDTUYEZ-UHFFFAOYSA-N -1 0 307.310 -0.093 20 0 DBADRM CCn1cc(S(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-])nc1C ZINC001605925095 1018677728 /nfs/dbraw/zinc/67/77/28/1018677728.db2.gz SKGNCNPWDZNAIQ-SECBINFHSA-N -1 0 305.356 -0.286 20 0 DBADRM O=C([O-])C1(C(=O)N[C@H]2CCCOC2)CCS(=O)(=O)CC1 ZINC001605934479 1018678216 /nfs/dbraw/zinc/67/82/16/1018678216.db2.gz KPEKDOZHFDEPGS-VIFPVBQESA-N -1 0 305.352 -0.439 20 0 DBADRM CCn1nccc1CN(CCO)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001605945446 1018678839 /nfs/dbraw/zinc/67/88/39/1018678839.db2.gz PDJSCPNDAWRHOG-JTQLQIEISA-N -1 0 319.383 -0.252 20 0 DBADRM CCn1nncc1CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001605946769 1018678902 /nfs/dbraw/zinc/67/89/02/1018678902.db2.gz DYGXVMRVPAFTAJ-UHFFFAOYSA-N -1 0 314.327 -0.494 20 0 DBADRM CCn1ncnc1CN1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001605945954 1018678987 /nfs/dbraw/zinc/67/89/87/1018678987.db2.gz TYMYVEOEHJHICW-BDAKNGLRSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1ncnc1CN1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001605945957 1018679676 /nfs/dbraw/zinc/67/96/76/1018679676.db2.gz TYMYVEOEHJHICW-IUCAKERBSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1nccc1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001605945660 1018679796 /nfs/dbraw/zinc/67/97/96/1018679796.db2.gz SFEZXRYQRSLMEY-OAHLLOKOSA-N -1 0 322.365 -0.096 20 0 DBADRM CCn1nccc1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605944903 1018680324 /nfs/dbraw/zinc/68/03/24/1018680324.db2.gz CQXXIYBFXNGSBU-ZJUUUORDSA-N -1 0 306.322 -0.436 20 0 DBADRM CCn1nccc1S(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001605946299 1018680580 /nfs/dbraw/zinc/68/05/80/1018680580.db2.gz SAUPBQINFOEEMB-WPRPVWTQSA-N -1 0 303.340 -0.498 20 0 DBADRM CN(C(=O)C1(C(=O)[O-])CC1)C1CCN(S(C)(=O)=O)CC1 ZINC001605949719 1018682075 /nfs/dbraw/zinc/68/20/75/1018682075.db2.gz JQQXNJHTAVZSCF-UHFFFAOYSA-N -1 0 304.368 -0.266 20 0 DBADRM Cc1ccn(CC(=O)Nc2ccon2)c(=O)c1-c1nnn[n-]1 ZINC001605948605 1018682381 /nfs/dbraw/zinc/68/23/81/1018682381.db2.gz CUDUSPHOWDEQRJ-UHFFFAOYSA-N -1 0 301.266 -0.036 20 0 DBADRM CN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(C)(C)CC(=O)[O-] ZINC001605956985 1018682473 /nfs/dbraw/zinc/68/24/73/1018682473.db2.gz MSQIBNGWAPNQSO-VIFPVBQESA-N -1 0 321.399 -0.386 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)CCc2ccon2)C1 ZINC001605955975 1018682526 /nfs/dbraw/zinc/68/25/26/1018682526.db2.gz CYJZYTLLWIYHMN-NEPJUHHUSA-N -1 0 321.333 -0.003 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)Cc2ncc[nH]2)C1 ZINC001605956011 1018682727 /nfs/dbraw/zinc/68/27/27/1018682727.db2.gz DPNUDRJZWQWVNZ-ZJUUUORDSA-N -1 0 306.322 -0.658 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCC[C@@H]2CN2CCOCC2)C1 ZINC001605964145 1018683901 /nfs/dbraw/zinc/68/39/01/1018683901.db2.gz VZBRJEYKQWFYQR-ZYHUDNBSSA-N -1 0 311.338 -0.461 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCC[C@@H]2CN2CCOCC2)C1 ZINC001605964121 1018684094 /nfs/dbraw/zinc/68/40/94/1018684094.db2.gz VZBRJEYKQWFYQR-PWSUYJOCSA-N -1 0 311.338 -0.461 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2C[C@H](O)C[C@H]2[C@H]2CCCOC2)C1 ZINC001605964335 1018684604 /nfs/dbraw/zinc/68/46/04/1018684604.db2.gz ZRETXSTVYULBDF-QCMRWSPLSA-N -1 0 312.322 -0.396 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NC[C@@H]2CC3(CO2)CCOCC3)C1 ZINC001605966595 1018684613 /nfs/dbraw/zinc/68/46/13/1018684613.db2.gz AMWIYYJPHRSTED-ONGXEEELSA-N -1 0 312.322 -0.082 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)CCc2ncc[nH]2)C1 ZINC001605958346 1018684637 /nfs/dbraw/zinc/68/46/37/1018684637.db2.gz ZWWQPKYPWQNKAP-MNOVXSKESA-N -1 0 320.349 -0.268 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCCCOC[C@@H]2CCOC2)C1 ZINC001605967870 1018684702 /nfs/dbraw/zinc/68/47/02/1018684702.db2.gz OORIFWHWBSWSIA-GXSJLCMTSA-N -1 0 300.311 -0.225 20 0 DBADRM CN(C(=O)CN1CCOCC1=O)[C@H](COC1CCC1)C(=O)[O-] ZINC001605961810 1018684941 /nfs/dbraw/zinc/68/49/41/1018684941.db2.gz GLDHOPLBMAOERK-LLVKDONJSA-N -1 0 314.338 -0.674 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)CCc2ncc[nH]2)C1 ZINC001605958341 1018684952 /nfs/dbraw/zinc/68/49/52/1018684952.db2.gz ZWWQPKYPWQNKAP-GHMZBOCLSA-N -1 0 320.349 -0.268 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@H]([C@H](O)C(F)(F)F)C2)C1 ZINC001605964354 1018685241 /nfs/dbraw/zinc/68/52/41/1018685241.db2.gz ZYCNRVDDFHIPOP-GEVIPFJHSA-N -1 0 310.228 -0.012 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001606038842 1018706247 /nfs/dbraw/zinc/70/62/47/1018706247.db2.gz GZCKFALVVCIPBG-SECBINFHSA-N -1 0 323.415 -0.270 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCC2N=NC(=S)N2C2CC2)C1 ZINC001605970962 1018686115 /nfs/dbraw/zinc/68/61/15/1018686115.db2.gz SZHRENXMSMZKAX-SSDOTTSWSA-N -1 0 311.323 -0.253 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(CN3CCOC3=O)CC2)C1 ZINC001605977425 1018687329 /nfs/dbraw/zinc/68/73/29/1018687329.db2.gz LBLRGDNWZKZSAQ-SNVBAGLBSA-N -1 0 311.338 -0.206 20 0 DBADRM CN(C)C(=O)/C=C/C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001605992886 1018687387 /nfs/dbraw/zinc/68/73/87/1018687387.db2.gz ATZRNQBRAIDDEC-CDAZIORVSA-N -1 0 307.310 -0.606 20 0 DBADRM CN(C(=O)c1ccnnc1)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001605985369 1018688683 /nfs/dbraw/zinc/68/86/83/1018688683.db2.gz JEBSSXDIQHKGNH-GHMZBOCLSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)Nc1ccc(C(=O)[O-])nn1)[C@@H]1CCS(=O)(=O)C1 ZINC001605972973 1018689207 /nfs/dbraw/zinc/68/92/07/1018689207.db2.gz LBISTADXHBPZQH-SSDOTTSWSA-N -1 0 314.323 -0.174 20 0 DBADRM CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605993273 1018690204 /nfs/dbraw/zinc/69/02/04/1018690204.db2.gz FPBWCKDLUAMTDN-YIZRAAEISA-N -1 0 322.408 -0.358 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@](O)(C(F)F)C2)C1 ZINC001605999982 1018690401 /nfs/dbraw/zinc/69/04/01/1018690401.db2.gz JVVSPSNLMKQWGK-JVXZTZIISA-N -1 0 306.265 -0.852 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC001605999836 1018691877 /nfs/dbraw/zinc/69/18/77/1018691877.db2.gz AVHAYALWGVZPDK-SNVBAGLBSA-N -1 0 309.326 -0.498 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N(CCO)Cc2ccccc2)C1 ZINC001605998650 1018692010 /nfs/dbraw/zinc/69/20/10/1018692010.db2.gz OPIQIEKGSFEPJU-ZDUSSCGKSA-N -1 0 320.345 -0.059 20 0 DBADRM CN(C)C(=O)NCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606001897 1018692805 /nfs/dbraw/zinc/69/28/05/1018692805.db2.gz FRIBHTIWPVGJKI-UHFFFAOYSA-N -1 0 323.309 -0.894 20 0 DBADRM CN(C)[C@H](C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)c1cncn1C ZINC001606008487 1018693071 /nfs/dbraw/zinc/69/30/71/1018693071.db2.gz ZEJANVUEXSQTQP-SCVCMEIPSA-N -1 0 310.354 -0.683 20 0 DBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)NC(C)(C)C(=O)[O-])ccn1 ZINC001606002836 1018693191 /nfs/dbraw/zinc/69/31/91/1018693191.db2.gz INBGJZHTNYGBMK-UHFFFAOYSA-N -1 0 322.321 -0.299 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1 ZINC001606003938 1018694004 /nfs/dbraw/zinc/69/40/04/1018694004.db2.gz IFQFGZAYTRPVEY-ZJUUUORDSA-N -1 0 314.342 -0.463 20 0 DBADRM CN(C)C(=O)O[C@@H]1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001606002455 1018694390 /nfs/dbraw/zinc/69/43/90/1018694390.db2.gz GGQQXNRUKDXPKH-SNVBAGLBSA-N -1 0 310.310 -0.120 20 0 DBADRM Cc1n[nH]c(C(=O)NCc2ccc(-c3nn[nH]n3)cn2)c1[O-] ZINC001606008650 1018695262 /nfs/dbraw/zinc/69/52/62/1018695262.db2.gz JJJAPLOYMURNMI-UHFFFAOYSA-N -1 0 300.282 -0.071 20 0 DBADRM Cc1nc(-c2nnn[n-]2)c(N2NC(=O)[C@H]3CCC[C@@H]3C2=O)o1 ZINC001606019596 1018697309 /nfs/dbraw/zinc/69/73/09/1018697309.db2.gz KKOBSUUFIGCPRP-BQBZGAKWSA-N -1 0 303.282 -0.043 20 0 DBADRM Cc1nc(-c2nnn[n-]2)c(N2NC(=O)[C@@H]3CCC[C@H]3C2=O)o1 ZINC001606019598 1018698276 /nfs/dbraw/zinc/69/82/76/1018698276.db2.gz KKOBSUUFIGCPRP-RNFRBKRXSA-N -1 0 303.282 -0.043 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC001606022457 1018698384 /nfs/dbraw/zinc/69/83/84/1018698384.db2.gz SZCOOIZZDWCROB-NXEZZACHSA-N -1 0 318.351 -0.867 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001606037163 1018702518 /nfs/dbraw/zinc/70/25/18/1018702518.db2.gz BPQMGUQVXPRYPA-VIFPVBQESA-N -1 0 306.365 -0.119 20 0 DBADRM O=C([O-])C1CN(C(=O)CCNS(=O)(=O)c2cccnc2)C1 ZINC001606031539 1018702730 /nfs/dbraw/zinc/70/27/30/1018702730.db2.gz RUAMSXYEQCXKIB-UHFFFAOYSA-N -1 0 313.335 -0.707 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC001606037150 1018703810 /nfs/dbraw/zinc/70/38/10/1018703810.db2.gz BLMPEXHXOOAEPS-UHFFFAOYSA-N -1 0 322.368 -0.615 20 0 DBADRM CN(C)Cc1cc(C(=O)NCCn2cc(C(=O)[O-])nn2)no1 ZINC001606033285 1018704017 /nfs/dbraw/zinc/70/40/17/1018704017.db2.gz JTEMCWBRUZVOPS-UHFFFAOYSA-N -1 0 308.298 -0.544 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)Nc1cccc(C(=O)[O-])c1O ZINC001606038221 1018704104 /nfs/dbraw/zinc/70/41/04/1018704104.db2.gz WJXKPEKEJBAGCF-UHFFFAOYSA-N -1 0 302.308 -0.080 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)c1cc(C(=O)[O-])co1 ZINC001606038571 1018704246 /nfs/dbraw/zinc/70/42/46/1018704246.db2.gz DIELSQIOPAYYNN-UHFFFAOYSA-N -1 0 305.312 -0.896 20 0 DBADRM Cc1nc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)oc1C ZINC001606042795 1018704973 /nfs/dbraw/zinc/70/49/73/1018704973.db2.gz CXSFYULLGRLSQL-UHFFFAOYSA-N -1 0 303.286 -0.621 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001606045373 1018705425 /nfs/dbraw/zinc/70/54/25/1018705425.db2.gz JMGTVTIODTVNME-WSVYEEACSA-N -1 0 321.399 -0.755 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN1CCC[C@@H]1CC(=O)[O-] ZINC001606045879 1018705631 /nfs/dbraw/zinc/70/56/31/1018705631.db2.gz UXSDWJJPQHDDEM-SNVBAGLBSA-N -1 0 316.383 -0.023 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001606045371 1018706521 /nfs/dbraw/zinc/70/65/21/1018706521.db2.gz JMGTVTIODTVNME-MQJDWESPSA-N -1 0 321.399 -0.755 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)NC1(C(=O)[O-])CCCC1 ZINC001606039496 1018706863 /nfs/dbraw/zinc/70/68/63/1018706863.db2.gz VYKGJEKQOHGNOR-UHFFFAOYSA-N -1 0 307.372 -0.762 20 0 DBADRM Cc1nc(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)oc1C ZINC001606042797 1018706880 /nfs/dbraw/zinc/70/68/80/1018706880.db2.gz DBBUBUPQCFGMJX-ZETCQYMHSA-N -1 0 317.313 -0.060 20 0 DBADRM CN(C)c1n[nH]c(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1 ZINC001606066018 1018707772 /nfs/dbraw/zinc/70/77/72/1018707772.db2.gz VNRLKCXFHNJGRF-SSDOTTSWSA-N -1 0 310.314 -0.868 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc2nccn21 ZINC001606057936 1018708405 /nfs/dbraw/zinc/70/84/05/1018708405.db2.gz VVDARZHHFLCMFG-JTQLQIEISA-N -1 0 323.330 -0.342 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@@H](O)CCC1(O)CCC1 ZINC001606056983 1018708553 /nfs/dbraw/zinc/70/85/53/1018708553.db2.gz IYYNQAQRFIKYIY-WDEREUQCSA-N -1 0 321.395 -0.774 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(CO)c1 ZINC001606056817 1018708566 /nfs/dbraw/zinc/70/85/66/1018708566.db2.gz AAMCCPXNFFSOHZ-NSHDSACASA-N -1 0 313.331 -0.497 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC[S@](=O)C(F)(F)F ZINC001606056833 1018709236 /nfs/dbraw/zinc/70/92/36/1018709236.db2.gz AVEWGMWJLNTOQW-QQOXFEPMSA-N -1 0 323.314 -0.562 20 0 DBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)Cc1noc(C2CC2)n1 ZINC001606053950 1018709402 /nfs/dbraw/zinc/70/94/02/1018709402.db2.gz UKYYPGVLRXCWGJ-QMMMGPOBSA-N -1 0 317.323 -0.438 20 0 DBADRM CN(C)c1noc(CCC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n1 ZINC001606070165 1018711286 /nfs/dbraw/zinc/71/12/86/1018711286.db2.gz IXGQFEFVLJTAFQ-RKDXNWHRSA-N -1 0 312.326 -0.638 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001606075566 1018712154 /nfs/dbraw/zinc/71/21/54/1018712154.db2.gz GJYYQJAKTKVQBM-LLVKDONJSA-N -1 0 311.338 -0.340 20 0 DBADRM CN([C@@]1(CO)CCOC1)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001606072163 1018712542 /nfs/dbraw/zinc/71/25/42/1018712542.db2.gz LUIRGHNWAWIONB-JFGNBEQYSA-N -1 0 307.368 -0.347 20 0 DBADRM CN(C)c1noc(CCC(=O)Nc2n[nH]c(CC(=O)[O-])n2)n1 ZINC001606070346 1018712870 /nfs/dbraw/zinc/71/28/70/1018712870.db2.gz QIAXKXMXLAZWEE-UHFFFAOYSA-N -1 0 309.286 -0.548 20 0 DBADRM O=C([O-])CC1(NS(=O)(=O)CCN2CCOC2=O)CCC1 ZINC001606084931 1018713357 /nfs/dbraw/zinc/71/33/57/1018713357.db2.gz RXBGIXDIEVGRFQ-UHFFFAOYSA-N -1 0 306.340 -0.245 20 0 DBADRM CN(C[C@H](O)CN1CCOC[C@@H]1C(=O)[O-])C(=O)OC(C)(C)C ZINC001606094762 1018716806 /nfs/dbraw/zinc/71/68/06/1018716806.db2.gz DCPQBXFWMGVKCF-WDEREUQCSA-N -1 0 318.370 0.000 20 0 DBADRM CN(Cc1nnnn1C)C1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001606179274 1018717251 /nfs/dbraw/zinc/71/72/51/1018717251.db2.gz KJIYZWZRDRELRK-QWRGUYRKSA-N -1 0 322.369 -0.646 20 0 DBADRM CN(C[C@H](O)C1(O)CCOCC1)[C@H](COC1CCC1)C(=O)[O-] ZINC001606094373 1018717247 /nfs/dbraw/zinc/71/72/47/1018717247.db2.gz VBFLLZNSGYXAQY-OLZOCXBDSA-N -1 0 317.382 -0.157 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001606096067 1018717939 /nfs/dbraw/zinc/71/79/39/1018717939.db2.gz UGLWKYAUULBJBG-QGLTVNCISA-N -1 0 312.366 -0.607 20 0 DBADRM CN(C[C@@H](O)CN(C)c1ccnc(C(=O)[O-])n1)C(=O)C1CC1 ZINC001606094133 1018718161 /nfs/dbraw/zinc/71/81/61/1018718161.db2.gz QKZPUEQINLCCGX-JTQLQIEISA-N -1 0 308.338 -0.160 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)OCCCc1cn(CC(=O)[O-])nn1 ZINC001606185645 1018719059 /nfs/dbraw/zinc/71/90/59/1018719059.db2.gz XQCNSDRMAJXBPK-SNVBAGLBSA-N -1 0 310.310 -0.541 20 0 DBADRM Cc1ncncc1COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001606103005 1018720198 /nfs/dbraw/zinc/72/01/98/1018720198.db2.gz RGKVFYVTWFJTMD-MRVPVSSYSA-N -1 0 315.297 -0.139 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CC[C@H](CO)[C@@H](O)C2)CO1 ZINC001606108303 1018720253 /nfs/dbraw/zinc/72/02/53/1018720253.db2.gz RTMYHNHTYZHDNJ-KXNHARMFSA-N -1 0 301.339 -0.542 20 0 DBADRM CN(Cc1nncn1C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606179609 1018720944 /nfs/dbraw/zinc/72/09/44/1018720944.db2.gz VYIALZFPUNTUIA-SECBINFHSA-N -1 0 309.326 -0.903 20 0 DBADRM CN(CC1(CO)CC1)C(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001606106414 1018721524 /nfs/dbraw/zinc/72/15/24/1018721524.db2.gz CSRVCFPDMAMLGW-AWEZNQCLSA-N -1 0 312.366 -0.069 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@@H](C(=O)[O-])c2ccccn2)C1=O ZINC001606189686 1018721451 /nfs/dbraw/zinc/72/14/51/1018721451.db2.gz QYTAUGLOOQOPOA-LLVKDONJSA-N -1 0 306.278 -0.783 20 0 DBADRM CN(CC1(O)CCC1)C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001606109060 1018721588 /nfs/dbraw/zinc/72/15/88/1018721588.db2.gz WXKCXPUIRPWCKG-JTQLQIEISA-N -1 0 314.338 -0.938 20 0 DBADRM CN1C[C@@H](C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)NC1=O ZINC001606197350 1018722100 /nfs/dbraw/zinc/72/21/00/1018722100.db2.gz DIYRQWXGZCCIII-APPZFPTMSA-N -1 0 307.310 -0.444 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@@H](C(=O)[O-])c2ccsc2)C1=O ZINC001606197253 1018722152 /nfs/dbraw/zinc/72/21/52/1018722152.db2.gz VJIDEIKRCDCIGK-SNVBAGLBSA-N -1 0 311.319 -0.116 20 0 DBADRM CN1CC(=O)N(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)C1=O ZINC001606196146 1018722792 /nfs/dbraw/zinc/72/27/92/1018722792.db2.gz CGSKKDNXOSIOLB-DCAQKATOSA-N -1 0 323.349 -0.018 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)NCC(=O)NCC(F)F)CO1 ZINC001606108392 1018723145 /nfs/dbraw/zinc/72/31/45/1018723145.db2.gz UCSJITJONJYFIP-YUMQZZPRSA-N -1 0 308.281 -0.246 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC001606105630 1018723240 /nfs/dbraw/zinc/72/32/40/1018723240.db2.gz MDNWYXIOXSEEAY-JTQLQIEISA-N -1 0 319.383 -0.762 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H]2CCOC2)CO1 ZINC001606107173 1018723255 /nfs/dbraw/zinc/72/32/55/1018723255.db2.gz JLROMOYPEFVZRX-WRWGMCAJSA-N -1 0 301.339 -0.230 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC1(C2(O)CCC2)CC1 ZINC001606106158 1018723350 /nfs/dbraw/zinc/72/33/50/1018723350.db2.gz ZKFDIPZOJFIISJ-UHFFFAOYSA-N -1 0 306.384 -0.078 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001606115678 1018726016 /nfs/dbraw/zinc/72/60/16/1018726016.db2.gz HAXWGSFRDNOGLY-SECBINFHSA-N -1 0 313.314 -0.967 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cnc3cc[nH]c3c2)CC1=O ZINC001606200529 1018726853 /nfs/dbraw/zinc/72/68/53/1018726853.db2.gz WLJHRYXDYIWEFD-LLVKDONJSA-N -1 0 302.290 -0.070 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)CSC(F)(F)F)CC1=O ZINC001606200523 1018726894 /nfs/dbraw/zinc/72/68/94/1018726894.db2.gz WCFAXJKYPUZUKN-RXMQYKEDSA-N -1 0 300.258 -0.007 20 0 DBADRM CN1CC(N2CCN(C(=O)c3cccc(C(=O)[O-])n3)CC2)C1 ZINC001606201863 1018728378 /nfs/dbraw/zinc/72/83/78/1018728378.db2.gz CEYFLDWXIWLDKX-UHFFFAOYSA-N -1 0 304.350 -0.148 20 0 DBADRM CN1C[C@H](NS(=O)(=O)c2cccnc2C(=O)[O-])CCC1=O ZINC001606202122 1018728414 /nfs/dbraw/zinc/72/84/14/1018728414.db2.gz DQORXGJWZDBISF-MRVPVSSYSA-N -1 0 313.335 -0.321 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001606115679 1018728972 /nfs/dbraw/zinc/72/89/72/1018728972.db2.gz HAXWGSFRDNOGLY-VIFPVBQESA-N -1 0 313.314 -0.967 20 0 DBADRM Cn1c(=O)[nH]c(N2CCC[C@@H](CCF)C2)c(-c2nnn[n-]2)c1=O ZINC001606202938 1018728934 /nfs/dbraw/zinc/72/89/34/1018728934.db2.gz TVUFCNVEYAUFBN-QMMMGPOBSA-N -1 0 323.332 -0.170 20 0 DBADRM CN(CCNC(=O)C[C@@H]1COC(=O)C1)c1ccnc(C(=O)[O-])n1 ZINC001606129653 1018730414 /nfs/dbraw/zinc/73/04/14/1018730414.db2.gz PNKNHNBBCMBVAT-VIFPVBQESA-N -1 0 322.321 -0.320 20 0 DBADRM CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)c1cncn1C ZINC001606122535 1018730987 /nfs/dbraw/zinc/73/09/87/1018730987.db2.gz NNXJEYVPRZFGSJ-UHFFFAOYSA-N -1 0 318.337 -0.096 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C[C@@H]2CCC3(CCOCC3)O2)CC1=O ZINC001606204479 1018731098 /nfs/dbraw/zinc/73/10/98/1018731098.db2.gz UAYPWGOSLBLRDJ-RYUDHWBXSA-N -1 0 312.366 -0.058 20 0 DBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N2CC=C[C@@H]2CO)CC1 ZINC001606125935 1018732004 /nfs/dbraw/zinc/73/20/04/1018732004.db2.gz DCKDZEHAOHEOQW-GFCCVEGCSA-N -1 0 310.350 -0.151 20 0 DBADRM CN([C@@H]1CCC(=O)N(C)C1)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606202985 1018732581 /nfs/dbraw/zinc/73/25/81/1018732581.db2.gz NRDBIIZAXAWJAQ-BBBLOLIVSA-N -1 0 304.368 -0.268 20 0 DBADRM CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)c1cnccn1 ZINC001606122765 1018732492 /nfs/dbraw/zinc/73/24/92/1018732492.db2.gz VIQPUAOQUIESJU-UHFFFAOYSA-N -1 0 316.321 -0.039 20 0 DBADRM CN(CCCO)C(=O)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001606122557 1018732720 /nfs/dbraw/zinc/73/27/20/1018732720.db2.gz OYFAZXWRTLCOME-SECBINFHSA-N -1 0 304.368 -0.897 20 0 DBADRM CN(CCN(C)c1ncc(C(=O)[O-])cn1)C(=O)c1cn(C)nn1 ZINC001606126612 1018733688 /nfs/dbraw/zinc/73/36/88/1018733688.db2.gz JDRGZMLVVKARPW-UHFFFAOYSA-N -1 0 319.325 -0.488 20 0 DBADRM CN(CCNC(=O)C12CC(C(=O)[O-])(C1)C2)CCS(C)(=O)=O ZINC001606130710 1018734310 /nfs/dbraw/zinc/73/43/10/1018734310.db2.gz AVZZZUULWKKCCE-UHFFFAOYSA-N -1 0 318.395 -0.666 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCNC(=O)C1)c1ccnc(C(=O)[O-])n1 ZINC001606131421 1018734558 /nfs/dbraw/zinc/73/45/58/1018734558.db2.gz ZFZPYXHJZVBSSZ-SECBINFHSA-N -1 0 321.337 -0.747 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCCNC1=O)c1ncc(C(=O)[O-])cn1 ZINC001606130784 1018735136 /nfs/dbraw/zinc/73/51/36/1018735136.db2.gz DJXVXBWITXLJAU-SNVBAGLBSA-N -1 0 321.337 -0.747 20 0 DBADRM CN(CCO)CCNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001606134175 1018735769 /nfs/dbraw/zinc/73/57/69/1018735769.db2.gz OHQYQMDGUDGYAK-WDEREUQCSA-N -1 0 308.400 -0.527 20 0 DBADRM CN1C[C@H](OC(=O)[C@@H]2CCCCS2(=O)=O)C[C@H]1C(=O)[O-] ZINC001606206821 1018736830 /nfs/dbraw/zinc/73/68/30/1018736830.db2.gz ZDNXQUISCUDIIL-UTLUCORTSA-N -1 0 305.352 -0.346 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)c1cn[nH]c(=O)c1 ZINC001606133052 1018736887 /nfs/dbraw/zinc/73/68/87/1018736887.db2.gz LVRGFOWWXXNHQK-UHFFFAOYSA-N -1 0 318.293 -0.146 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCC(=O)N1C)c1ncc(C(=O)[O-])cn1 ZINC001606130492 1018736987 /nfs/dbraw/zinc/73/69/87/1018736987.db2.gz FOTNONGUSASRRZ-JTQLQIEISA-N -1 0 321.337 -0.652 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)CCn1cncn1 ZINC001606133073 1018737703 /nfs/dbraw/zinc/73/77/03/1018737703.db2.gz MXDMUIFTRHAMOT-UHFFFAOYSA-N -1 0 319.325 -0.851 20 0 DBADRM CN1CC[C@H](C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])CC1=O ZINC001606209536 1018738192 /nfs/dbraw/zinc/73/81/92/1018738192.db2.gz WMWDAAYZXMGYFJ-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001606132634 1018738287 /nfs/dbraw/zinc/73/82/87/1018738287.db2.gz ALKMCDZJQCAMAW-UHFFFAOYSA-N -1 0 315.351 -0.670 20 0 DBADRM Cn1c(=O)[nH]c(NCc2nccs2)c(-c2nnn[n-]2)c1=O ZINC001606205416 1018738253 /nfs/dbraw/zinc/73/82/53/1018738253.db2.gz CWAWVCJRGPOIPT-UHFFFAOYSA-N -1 0 306.311 -0.265 20 0 DBADRM Cc1noc(C)c1CC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001606130099 1018738483 /nfs/dbraw/zinc/73/84/83/1018738483.db2.gz GOQQOZBNTBRREV-UHFFFAOYSA-N -1 0 317.313 -0.578 20 0 DBADRM CN1CC[C@H](C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)CC1=O ZINC001606212224 1018739848 /nfs/dbraw/zinc/73/98/48/1018739848.db2.gz LMKGLOULFJVSAP-VHSXEESVSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1CC[C@@H](CNC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1=O ZINC001606212777 1018739989 /nfs/dbraw/zinc/73/99/89/1018739989.db2.gz TZNDMYSZHNTIRV-SNVBAGLBSA-N -1 0 321.333 -0.469 20 0 DBADRM CN1CC[C@](Cc2ccccc2)(C(=O)N[C@@H](CO)C(=O)[O-])C1=O ZINC001606212220 1018740730 /nfs/dbraw/zinc/74/07/30/1018740730.db2.gz FPIUNEBCQDODFH-LRDDRELGSA-N -1 0 320.345 -0.361 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001606159933 1018740781 /nfs/dbraw/zinc/74/07/81/1018740781.db2.gz APUBXLRVNIDGNE-CQSZACIVSA-N -1 0 311.338 -0.904 20 0 DBADRM CN([C@H]1CCN(C)C1=O)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001606214439 1018741556 /nfs/dbraw/zinc/74/15/56/1018741556.db2.gz FVFIRZFNHMXIKR-VIFPVBQESA-N -1 0 304.368 -0.266 20 0 DBADRM CN1CC[C@@H](C(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])C1=O ZINC001606211887 1018743380 /nfs/dbraw/zinc/74/33/80/1018743380.db2.gz DRSMTOMZXGILRE-NEPJUHHUSA-N -1 0 305.334 -0.081 20 0 DBADRM CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001606143062 1018743468 /nfs/dbraw/zinc/74/34/68/1018743468.db2.gz NMANGPNJNQLFHX-TUAOUCFPSA-N -1 0 324.377 -0.071 20 0 DBADRM CN(CCc1cnccn1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001606141049 1018744259 /nfs/dbraw/zinc/74/42/59/1018744259.db2.gz OJZKILNVWAOEMA-UHFFFAOYSA-N -1 0 319.325 -0.350 20 0 DBADRM Cc1ocnc1CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001606178180 1018744904 /nfs/dbraw/zinc/74/49/04/1018744904.db2.gz ZXDVPWMEFNGQMA-UHFFFAOYSA-N -1 0 304.270 -0.425 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001606172877 1018745929 /nfs/dbraw/zinc/74/59/29/1018745929.db2.gz CXFQVHAYYJLIAD-UHFFFAOYSA-N -1 0 320.309 -0.551 20 0 DBADRM CN(Cc1cnn(C)n1)C1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001606174462 1018746069 /nfs/dbraw/zinc/74/60/69/1018746069.db2.gz QBIJTZCJFBOVRP-OLZOCXBDSA-N -1 0 321.381 -0.041 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2C[C@H]3CCC[C@H]3O2)c1=O ZINC001606222000 1018748159 /nfs/dbraw/zinc/74/81/59/1018748159.db2.gz WCMBZFOGINMYQA-WCABBAIRSA-N -1 0 318.337 -0.315 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCC(C)(C)CO)n(C)c1=O ZINC001606218332 1018748276 /nfs/dbraw/zinc/74/82/76/1018748276.db2.gz IQQHYIHBMIJTEP-UHFFFAOYSA-N -1 0 323.357 -0.915 20 0 DBADRM CN1CC[C@H]1CNC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001606218433 1018748643 /nfs/dbraw/zinc/74/86/43/1018748643.db2.gz FLLMOLZLKSNRNW-NEPJUHHUSA-N -1 0 311.382 -0.090 20 0 DBADRM CN1CCC[C@@H](NC(=O)Cn2cccc(C(=O)[O-])c2=O)C1=O ZINC001606222160 1018749262 /nfs/dbraw/zinc/74/92/62/1018749262.db2.gz VNABYXIVCYHNAX-SNVBAGLBSA-N -1 0 307.306 -0.717 20 0 DBADRM CN1CCC[C@@H](NS(=O)(=O)c2cccnc2C(=O)[O-])C1=O ZINC001606228019 1018750835 /nfs/dbraw/zinc/75/08/35/1018750835.db2.gz XHVOOISKKISIIK-MRVPVSSYSA-N -1 0 313.335 -0.321 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CC[C@@](CO)(C(F)(F)F)C2)C1=O ZINC001606231150 1018756154 /nfs/dbraw/zinc/75/61/54/1018756154.db2.gz DYWGSKMASDLLKO-LDYMZIIASA-N -1 0 310.272 -0.081 20 0 DBADRM CN1CCN(C(=O)C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC1 ZINC001606229687 1018759478 /nfs/dbraw/zinc/75/94/78/1018759478.db2.gz CEDXKHVMYWYBDO-ABAIWWIYSA-N -1 0 309.366 -0.384 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC[C@H]3CC[C@@H](C2)[S@]3=O)C1=O ZINC001606232738 1018766038 /nfs/dbraw/zinc/76/60/38/1018766038.db2.gz YDWHXQHGFCPQDS-GGRBLDGOSA-N -1 0 300.380 -0.343 20 0 DBADRM CN1CCN([C@@H](C(=O)NC[C@H](O)C(=O)[O-])c2ccccc2)CC1 ZINC001606238246 1018772974 /nfs/dbraw/zinc/77/29/74/1018772974.db2.gz QNSLRJNPWGNSMM-UONOGXRCSA-N -1 0 321.377 -0.463 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)[C@H]2CCc3c[nH]nc3C2)C1=O ZINC001606248407 1018775286 /nfs/dbraw/zinc/77/52/86/1018775286.db2.gz WXFYPSVEIJQPCX-KWQFWETISA-N -1 0 307.306 -0.257 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCCn3nncc3C2)C1=O ZINC001606248905 1018776416 /nfs/dbraw/zinc/77/64/16/1018776416.db2.gz CRBJLZUPDMAPPW-LLVKDONJSA-N -1 0 321.337 -0.666 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)c2ccc3c(n2)OCCO3)C1=O ZINC001606248162 1018776486 /nfs/dbraw/zinc/77/64/86/1018776486.db2.gz QCSPYYLNVPMIRW-JTQLQIEISA-N -1 0 322.273 -0.305 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)c2ncnc3[nH]ccc32)C1=O ZINC001606247974 1018776584 /nfs/dbraw/zinc/77/65/84/1018776584.db2.gz LPCOQAKEZVWCQC-MRVPVSSYSA-N -1 0 304.262 -0.248 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001606248848 1018777088 /nfs/dbraw/zinc/77/70/88/1018777088.db2.gz CVBBVXKOHPCFBP-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)[C@@H]2CCc3c[nH]nc3C2)C1=O ZINC001606248406 1018777273 /nfs/dbraw/zinc/77/72/73/1018777273.db2.gz WXFYPSVEIJQPCX-KCJUWKMLSA-N -1 0 307.306 -0.257 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)c2cc3c(cn2)OCCO3)C1=O ZINC001606248443 1018777375 /nfs/dbraw/zinc/77/73/75/1018777375.db2.gz YEVGDSNZRXGHRI-SECBINFHSA-N -1 0 322.273 -0.305 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@@H]1CN(C)CCO1 ZINC001606247607 1018777430 /nfs/dbraw/zinc/77/74/30/1018777430.db2.gz OYMFXOFDQMPMLY-NSHDSACASA-N -1 0 323.353 -0.624 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)[C@H]2CCc3c[nH]nc3C2)C1=O ZINC001606248405 1018778103 /nfs/dbraw/zinc/77/81/03/1018778103.db2.gz WXFYPSVEIJQPCX-GZMMTYOYSA-N -1 0 307.306 -0.257 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCc3n[nH]nc3C2)C1=O ZINC001606250308 1018779443 /nfs/dbraw/zinc/77/94/43/1018779443.db2.gz KOALYPFRIKVKIW-MRVPVSSYSA-N -1 0 307.310 -0.987 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1=O ZINC001606252112 1018779617 /nfs/dbraw/zinc/77/96/17/1018779617.db2.gz FDDQFSMCQBLNPP-AEJSXWLSSA-N -1 0 304.368 -0.220 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NC[C@H](CO)CC2CC2)C1=O ZINC001606251237 1018779655 /nfs/dbraw/zinc/77/96/55/1018779655.db2.gz NPYTZAAPQLRRKF-NEPJUHHUSA-N -1 0 312.366 -0.166 20 0 DBADRM CN1CCOC[C@]1(CO)CNC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606250782 1018780492 /nfs/dbraw/zinc/78/04/92/1018780492.db2.gz QWUFGGFTOFVEQE-CQSZACIVSA-N -1 0 324.337 -0.406 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1=O ZINC001606251762 1018780758 /nfs/dbraw/zinc/78/07/58/1018780758.db2.gz PQNBMOFVNVKZEJ-MWLCHTKSSA-N -1 0 323.349 -0.811 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC1=O ZINC001606252114 1018780972 /nfs/dbraw/zinc/78/09/72/1018780972.db2.gz FDDQFSMCQBLNPP-IVZWLZJFSA-N -1 0 304.368 -0.220 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCOCC3(CC3)C2)C1=O ZINC001606251701 1018781241 /nfs/dbraw/zinc/78/12/41/1018781241.db2.gz OXYGAMQWXRFJCR-LLVKDONJSA-N -1 0 310.350 -0.051 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)c2ccc[n+]([O-])c2)C1=O ZINC001606255192 1018782115 /nfs/dbraw/zinc/78/21/15/1018782115.db2.gz HCPKNJGRDUAIGQ-NSHDSACASA-N -1 0 307.306 -0.485 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](OC(=O)CC2OCCO2)C1=O ZINC001606258307 1018782740 /nfs/dbraw/zinc/78/27/40/1018782740.db2.gz CKXZYJIORFNKRB-SECBINFHSA-N -1 0 301.295 -0.242 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)Nc2ccn3nccc3n2)C1=O ZINC001606253875 1018783267 /nfs/dbraw/zinc/78/32/67/1018783267.db2.gz YQXKVDOXAZBMDV-VIFPVBQESA-N -1 0 317.305 -0.009 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NCCc2cn[nH]c2)C1=O ZINC001606255386 1018783364 /nfs/dbraw/zinc/78/33/64/1018783364.db2.gz LYOJCGSURWJPLP-NSHDSACASA-N -1 0 323.353 -0.283 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCc2nnc(C3CC3)o2)C1=O ZINC001606253416 1018784295 /nfs/dbraw/zinc/78/42/95/1018784295.db2.gz QUAZQMQBKZKKBY-SECBINFHSA-N -1 0 322.321 -0.114 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC001606264350 1018785852 /nfs/dbraw/zinc/78/58/52/1018785852.db2.gz GGCREUCUXVBHOP-CMPLNLGQSA-N -1 0 324.308 -0.469 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001606259570 1018786470 /nfs/dbraw/zinc/78/64/70/1018786470.db2.gz JOBDLNDKPWSLPN-UHFFFAOYSA-N -1 0 324.337 -0.450 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001606259419 1018786744 /nfs/dbraw/zinc/78/67/44/1018786744.db2.gz NWSJTRBDGVAHNT-ZETCQYMHSA-N -1 0 322.350 -0.067 20 0 DBADRM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001606261569 1018786902 /nfs/dbraw/zinc/78/69/02/1018786902.db2.gz CEPDYYJOEAJVKX-DTWKUNHWSA-N -1 0 315.351 -0.094 20 0 DBADRM CNC(=O)[C@]1(C)CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001606263650 1018787510 /nfs/dbraw/zinc/78/75/10/1018787510.db2.gz PLORXNBXCVYNFC-GPCCPHFNSA-N -1 0 313.354 -0.356 20 0 DBADRM CNC(=O)[C@@H](CO)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001606261183 1018788424 /nfs/dbraw/zinc/78/84/24/1018788424.db2.gz GFHQYQCYOCZSFH-SECBINFHSA-N -1 0 322.383 -0.952 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC001606266791 1018789935 /nfs/dbraw/zinc/78/99/35/1018789935.db2.gz BYZUZRNSVJHJMU-UHFFFAOYSA-N -1 0 323.305 -0.416 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cccc(-n2cc[nH]c2=O)c1 ZINC001606265216 1018790927 /nfs/dbraw/zinc/79/09/27/1018790927.db2.gz ONJBDIKTESYWLY-UHFFFAOYSA-N -1 0 319.273 -0.065 20 0 DBADRM CNC(=O)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])CC2 ZINC001606271557 1018793637 /nfs/dbraw/zinc/79/36/37/1018793637.db2.gz VORNLXFQSSARDD-MNOVXSKESA-N -1 0 309.366 -0.623 20 0 DBADRM CNC(=O)CCCN(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001606269888 1018794469 /nfs/dbraw/zinc/79/44/69/1018794469.db2.gz TYVUSVSHPZAJPB-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)CCSCC(=O)[O-])CC1 ZINC001606270748 1018798001 /nfs/dbraw/zinc/79/80/01/1018798001.db2.gz LGXXZQOZLDTIJE-UHFFFAOYSA-N -1 0 317.411 -0.479 20 0 DBADRM O=C([O-])COCCNC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001606279184 1018799034 /nfs/dbraw/zinc/79/90/34/1018799034.db2.gz XZABBGAYXCXQEP-OWUUHHOZSA-N -1 0 305.352 -0.440 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001606275726 1018800101 /nfs/dbraw/zinc/80/01/01/1018800101.db2.gz VOXGWXBZWZMXAZ-UHFFFAOYSA-N -1 0 307.306 -0.362 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCOC[C@@H]1C1CCC1 ZINC001606279502 1018800233 /nfs/dbraw/zinc/80/02/33/1018800233.db2.gz WEGODCTZTAIJSO-LLVKDONJSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])COCCOCCNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001606279133 1018800939 /nfs/dbraw/zinc/80/09/39/1018800939.db2.gz SOWOPUJHAANVBF-JTQLQIEISA-N -1 0 311.338 -0.251 20 0 DBADRM CNC(=O)Cc1noc(CN[C@H](C[C@H]2CCCO2)C(=O)[O-])n1 ZINC001606277529 1018800964 /nfs/dbraw/zinc/80/09/64/1018800964.db2.gz PDRCOWLXJSAFKY-RKDXNWHRSA-N -1 0 312.326 -0.530 20 0 DBADRM CNC(=O)NCCC(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001606281838 1018801480 /nfs/dbraw/zinc/80/14/80/1018801480.db2.gz YWNSCDXRKPWLOL-JTQLQIEISA-N -1 0 303.315 -0.926 20 0 DBADRM CNC(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001606280342 1018801536 /nfs/dbraw/zinc/80/15/36/1018801536.db2.gz GKNXNUKOCRKSAA-LBPRGKRZSA-N -1 0 307.306 -0.208 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)c2ccc(C(=O)[O-])n2C)CCO1 ZINC001606281450 1018801553 /nfs/dbraw/zinc/80/15/53/1018801553.db2.gz QPWHZHAWNWTBRJ-VIFPVBQESA-N -1 0 324.337 -0.507 20 0 DBADRM CNC(=O)NCC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001606282445 1018802161 /nfs/dbraw/zinc/80/21/61/1018802161.db2.gz ZPQZOKPGXFBCIH-UHFFFAOYSA-N -1 0 300.702 -0.022 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC001606286405 1018803315 /nfs/dbraw/zinc/80/33/15/1018803315.db2.gz WJAZCLYACOXDAW-WCQYABFASA-N -1 0 309.318 -0.035 20 0 DBADRM O=C([O-])COCCOCCNS(=O)(=O)c1ccccn1 ZINC001606285648 1018803895 /nfs/dbraw/zinc/80/38/95/1018803895.db2.gz CDUNJSYKTXNGTL-UHFFFAOYSA-N -1 0 304.324 -0.522 20 0 DBADRM CNC(=O)c1ccc(CN2CC(=O)N(C)C[C@H]2C(=O)[O-])cc1 ZINC001606285774 1018804176 /nfs/dbraw/zinc/80/41/76/1018804176.db2.gz WQNNSCGILNMEJI-LBPRGKRZSA-N -1 0 305.334 -0.227 20 0 DBADRM CNC(=O)c1cccc(NC(=O)C(=O)NCCOCC(=O)[O-])c1 ZINC001606289666 1018804848 /nfs/dbraw/zinc/80/48/48/1018804848.db2.gz LHUHUEFKFHJLPG-UHFFFAOYSA-N -1 0 323.305 -0.798 20 0 DBADRM O=C([O-])CS(=O)(=O)CCS(=O)(=O)[C@@H]1CCCOC1 ZINC001606297460 1018804917 /nfs/dbraw/zinc/80/49/17/1018804917.db2.gz SIQXBGGNNHUIAR-MRVPVSSYSA-N -1 0 300.354 -0.920 20 0 DBADRM CNS(=O)(=O)C1CCN(Cc2oncc2C(=O)[O-])CC1 ZINC001606299195 1018806074 /nfs/dbraw/zinc/80/60/74/1018806074.db2.gz WNAGMEVBYQCMRC-UHFFFAOYSA-N -1 0 303.340 -0.114 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001606299308 1018806092 /nfs/dbraw/zinc/80/60/92/1018806092.db2.gz XRTIPZFQYDZZKO-AEJSXWLSSA-N -1 0 319.383 -0.427 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(c2ncnc(C(=O)[O-])c2OC)C1 ZINC001606299162 1018806126 /nfs/dbraw/zinc/80/61/26/1018806126.db2.gz UZIYWEHDQUAGHO-ZETCQYMHSA-N -1 0 316.339 -0.689 20 0 DBADRM CNS(=O)(=O)N1CCN(C(=O)C[C@@H](C)CC(=O)[O-])CC1 ZINC001606301383 1018806238 /nfs/dbraw/zinc/80/62/38/1018806238.db2.gz FMALKBCMVSWRKH-SECBINFHSA-N -1 0 307.372 -0.904 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001606298844 1018806704 /nfs/dbraw/zinc/80/67/04/1018806704.db2.gz JLEFCKZMPGUDRQ-SECBINFHSA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001606298973 1018806749 /nfs/dbraw/zinc/80/67/49/1018806749.db2.gz NXZMPUFVOPIFIM-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001606301824 1018806843 /nfs/dbraw/zinc/80/68/43/1018806843.db2.gz PZWIQLYVZHEJQD-GFCCVEGCSA-N -1 0 321.399 -0.420 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)NCC2(C(=O)[O-])CC2)C1 ZINC001606298718 1018806991 /nfs/dbraw/zinc/80/69/91/1018806991.db2.gz DITBHODPQNOGOE-VIFPVBQESA-N -1 0 319.383 -0.426 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001606302638 1018807559 /nfs/dbraw/zinc/80/75/59/1018807559.db2.gz LDCQAGGXBCWBDR-LPEHRKFASA-N -1 0 304.368 -0.363 20 0 DBADRM CNc1cnc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])cn1 ZINC001606312797 1018807595 /nfs/dbraw/zinc/80/75/95/1018807595.db2.gz CBHYCGOKTDHDEU-WPRPVWTQSA-N -1 0 322.321 -0.003 20 0 DBADRM CNc1cnc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)cn1 ZINC001606312895 1018807696 /nfs/dbraw/zinc/80/76/96/1018807696.db2.gz GXRVBEWYLHNHHX-MRVPVSSYSA-N -1 0 317.309 -0.105 20 0 DBADRM CNc1cnc(C(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(=O)OC)cn1 ZINC001606313321 1018808295 /nfs/dbraw/zinc/80/82/95/1018808295.db2.gz OJBPFCSAVGOZQO-WPRPVWTQSA-N -1 0 322.321 -0.003 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@H](CCF)C(=O)[O-])co1 ZINC001606303527 1018808541 /nfs/dbraw/zinc/80/85/41/1018808541.db2.gz IDLCFMVFISVDSU-SSDOTTSWSA-N -1 0 308.287 -0.270 20 0 DBADRM CNS(=O)(=O)CC(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001606303321 1018808640 /nfs/dbraw/zinc/80/86/40/1018808640.db2.gz ZLXPEFIRMASEDA-UHFFFAOYSA-N -1 0 302.308 -0.119 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1c1cnc(C(=O)[O-])cn1 ZINC001606303179 1018808666 /nfs/dbraw/zinc/80/86/66/1018808666.db2.gz VHNVSBXRGKBSMS-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM COC(=O)[C@@](C)(CO)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001606318098 1018809105 /nfs/dbraw/zinc/80/91/05/1018809105.db2.gz IDPCTOYUJZITSF-VHSKPIJISA-N -1 0 309.340 -0.917 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CC[C@H](C(=O)OC)C1 ZINC001606323043 1018809158 /nfs/dbraw/zinc/80/91/58/1018809158.db2.gz FKYXENXQWHABRS-VGMNWLOBSA-N -1 0 301.295 -0.292 20 0 DBADRM CNc1nnc(CC(=O)N[C@H](CC(=O)OC)C(=O)[O-])s1 ZINC001606315348 1018809415 /nfs/dbraw/zinc/80/94/15/1018809415.db2.gz QLDLABVTFOXVKO-RXMQYKEDSA-N -1 0 302.312 -0.745 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001606315945 1018809511 /nfs/dbraw/zinc/80/95/11/1018809511.db2.gz OPMVECMLOMJXQB-GFCCVEGCSA-N -1 0 323.367 -0.309 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001606321532 1018809522 /nfs/dbraw/zinc/80/95/22/1018809522.db2.gz MMVGJUKUYOPLIY-BBBLOLIVSA-N -1 0 323.367 -0.548 20 0 DBADRM COC(=O)[C@@](C)(CO)NCC(=O)Nc1ccccc1C(=O)[O-] ZINC001606318102 1018809597 /nfs/dbraw/zinc/80/95/97/1018809597.db2.gz IJURRDNMEQOOMZ-CQSZACIVSA-N -1 0 310.306 -0.163 20 0 DBADRM COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606320114 1018809842 /nfs/dbraw/zinc/80/98/42/1018809842.db2.gz DODXDAJJIQGUOS-RNCFNFMXSA-N -1 0 312.326 -0.463 20 0 DBADRM COC(=O)[C@@](C)(CO)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001606318277 1018809992 /nfs/dbraw/zinc/80/99/92/1018809992.db2.gz JPLREGDOMQEYNT-CQSZACIVSA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CN1CCN(C2CC2)C1=O ZINC001606323616 1018810052 /nfs/dbraw/zinc/81/00/52/1018810052.db2.gz LKAMYLHVQPAUOU-SECBINFHSA-N -1 0 313.310 -0.981 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001606321486 1018810062 /nfs/dbraw/zinc/81/00/62/1018810062.db2.gz LEFJRSWTVLVXBA-HLTSFMKQSA-N -1 0 309.340 -0.701 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCC(=O)Nc2ccccc2)nn1 ZINC001606325888 1018810919 /nfs/dbraw/zinc/81/09/19/1018810919.db2.gz IBRDHBSVVNKCQS-UHFFFAOYSA-N -1 0 303.278 -0.269 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)COCc1cc(C)no1 ZINC001606324560 1018811202 /nfs/dbraw/zinc/81/12/02/1018811202.db2.gz URADOLYJRHNRKY-SECBINFHSA-N -1 0 300.267 -0.368 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCc2cc3c([nH]c2=O)CCC3)nn1 ZINC001606330174 1018811232 /nfs/dbraw/zinc/81/12/32/1018811232.db2.gz AKHHHGSKHHJADN-UHFFFAOYSA-N -1 0 317.305 -0.118 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](C)N1CCSCC1 ZINC001606324864 1018811427 /nfs/dbraw/zinc/81/14/27/1018811427.db2.gz YBZTZBCWBXXJKS-DTWKUNHWSA-N -1 0 304.368 -0.444 20 0 DBADRM COC(=O)[C@H](NCCC(=O)N(C)CC(=O)[O-])c1ccnn1C ZINC001606339779 1018812154 /nfs/dbraw/zinc/81/21/54/1018812154.db2.gz URGHAZGTJMTCQA-GFCCVEGCSA-N -1 0 312.326 -0.843 20 0 DBADRM COC(=O)[C@@H](NC(=O)CCSCC(=O)[O-])c1ccnn1C ZINC001606331872 1018812903 /nfs/dbraw/zinc/81/29/03/1018812903.db2.gz IVPBRIABGOXSMF-NSHDSACASA-N -1 0 315.351 -0.042 20 0 DBADRM COC(=O)[C@@H](Cc1cncs1)NCCC(=O)NCC(=O)[O-] ZINC001606332820 1018813134 /nfs/dbraw/zinc/81/31/34/1018813134.db2.gz FWIWTMWPRWZTON-SECBINFHSA-N -1 0 315.351 -0.592 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CCC[C@H](N2CCNC2=O)C1 ZINC001606334738 1018813434 /nfs/dbraw/zinc/81/34/34/1018813434.db2.gz ZNFMMOQLZMLQNM-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CC[C@@]3(CCOC3=O)C2)c1=O ZINC001606350911 1018814247 /nfs/dbraw/zinc/81/42/47/1018814247.db2.gz ZYSWCAQDTWLPAI-OAHLLOKOSA-N -1 0 320.301 -0.288 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC001606348169 1018814374 /nfs/dbraw/zinc/81/43/74/1018814374.db2.gz RZMSYXJOJLZSDY-AWEZNQCLSA-N -1 0 314.338 -0.231 20 0 DBADRM COC(=O)[C@]1(F)CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001606351940 1018814514 /nfs/dbraw/zinc/81/45/14/1018814514.db2.gz NDTRSKZKSRTVEI-JTQLQIEISA-N -1 0 309.315 -0.090 20 0 DBADRM COC(=O)[C@]1(F)CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001606351629 1018814604 /nfs/dbraw/zinc/81/46/04/1018814604.db2.gz GQILWATXQWFHQD-JTQLQIEISA-N -1 0 321.286 -0.616 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCC(=O)NC2CCCC2)c1=O ZINC001606355649 1018815453 /nfs/dbraw/zinc/81/54/53/1018815453.db2.gz XRJXVGSFGTWRNY-UHFFFAOYSA-N -1 0 321.333 -0.279 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCc2nnc3n2CCC3)c1=O ZINC001606355202 1018816339 /nfs/dbraw/zinc/81/63/39/1018816339.db2.gz KKXDUIJICUQBTA-UHFFFAOYSA-N -1 0 317.305 -0.599 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NC[C@H](O)c2cncs2)c1=O ZINC001606355525 1018816456 /nfs/dbraw/zinc/81/64/56/1018816456.db2.gz TWHHYLVLDBHJFW-VIFPVBQESA-N -1 0 323.330 -0.147 20 0 DBADRM COC(=O)C1(NC(=O)[C@H]2COC(=O)N2)CCC(C(=O)[O-])CC1 ZINC001606352866 1018816553 /nfs/dbraw/zinc/81/65/53/1018816553.db2.gz SLCLVIYZNTWIQD-LPATWVRLSA-N -1 0 314.294 -0.602 20 0 DBADRM COC(=O)[C@]1(NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCOC1 ZINC001606354834 1018816641 /nfs/dbraw/zinc/81/66/41/1018816641.db2.gz XDYBKUXFISZKFI-RNSXUZJQSA-N -1 0 307.324 -0.899 20 0 DBADRM COC(=O)C1(O)CN(C(=O)Nc2cccc(CC(=O)[O-])n2)C1 ZINC001606356690 1018816717 /nfs/dbraw/zinc/81/67/17/1018816717.db2.gz HTBNCQCSSHYKIE-UHFFFAOYSA-N -1 0 309.278 -0.540 20 0 DBADRM COC(=O)[C@H]1[C@H](O)CCCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001606374325 1018817417 /nfs/dbraw/zinc/81/74/17/1018817417.db2.gz ZAXZEMPNYXKATQ-RKDXNWHRSA-N -1 0 323.367 -0.575 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1CCN1CCOCC1 ZINC001606374555 1018817885 /nfs/dbraw/zinc/81/78/85/1018817885.db2.gz GOHJZHOISLNARK-NWDGAFQWSA-N -1 0 300.355 -0.343 20 0 DBADRM COC(=O)[C@H]1CC(=O)N(CN2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001606369730 1018817909 /nfs/dbraw/zinc/81/79/09/1018817909.db2.gz FMMNAQHAVGKBEU-UWVGGRQHSA-N -1 0 300.311 -0.859 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001606372784 1018817934 /nfs/dbraw/zinc/81/79/34/1018817934.db2.gz ZIJFFICJFOFROK-UTLUCORTSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C[C@H]1CCNC1=O ZINC001606370995 1018818088 /nfs/dbraw/zinc/81/80/88/1018818088.db2.gz QQJZJTKAWRVEGT-BBBLOLIVSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001606373419 1018818130 /nfs/dbraw/zinc/81/81/30/1018818130.db2.gz KIJKICXPBVRLNM-SCZZXKLOSA-N -1 0 323.305 -0.741 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1nccnc1N ZINC001606372799 1018818358 /nfs/dbraw/zinc/81/83/58/1018818358.db2.gz HVZYFXAIGDVMHL-YUMQZZPRSA-N -1 0 308.294 -0.463 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)NCCCCC(=O)[O-])C1 ZINC001606378856 1018818847 /nfs/dbraw/zinc/81/88/47/1018818847.db2.gz XFGLCGFLFIBSDN-UWVGGRQHSA-N -1 0 302.327 -0.193 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001606377699 1018819325 /nfs/dbraw/zinc/81/93/25/1018819325.db2.gz NGAFGEBZKJPDMS-IUCAKERBSA-N -1 0 323.367 -0.717 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1Cc1nnnn1C1CC1 ZINC001606376772 1018819436 /nfs/dbraw/zinc/81/94/36/1018819436.db2.gz QZOHMUFMQLLTJK-PSASIEDQSA-N -1 0 309.326 -0.154 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(OC)ncn1 ZINC001606383637 1018819502 /nfs/dbraw/zinc/81/95/02/1018819502.db2.gz IBWSMLUUJBDNKW-PSASIEDQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C[C@@H](O)C1(O)CCCC1 ZINC001606376125 1018819658 /nfs/dbraw/zinc/81/96/58/1018819658.db2.gz VRFBUBBAJYOMBI-GRYCIOLGSA-N -1 0 315.366 -0.009 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc[n+]([O-])cc1 ZINC001606385363 1018819901 /nfs/dbraw/zinc/81/99/01/1018819901.db2.gz ILNBHEYCOFITMP-GHMZBOCLSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C[C@@H](O)CC(C)(C)O ZINC001606386282 1018820578 /nfs/dbraw/zinc/82/05/78/1018820578.db2.gz NIFDCLQZEVKKDF-VWYCJHECSA-N -1 0 303.355 -0.154 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Cn2cccnc2=O)C1 ZINC001606391902 1018820866 /nfs/dbraw/zinc/82/08/66/1018820866.db2.gz JTHAWCCUQDRGDB-NXEZZACHSA-N -1 0 323.305 -0.892 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(=O)n2C)C1 ZINC001606390911 1018820893 /nfs/dbraw/zinc/82/08/93/1018820893.db2.gz CTHZNTOJNMYVPK-ONGXEEELSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CN(C)C(C)=O)C1 ZINC001606391280 1018821234 /nfs/dbraw/zinc/82/12/34/1018821234.db2.gz GJHCIYXABFOWIZ-ZJUUUORDSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cccc(=O)n2C)C1 ZINC001606390910 1018821307 /nfs/dbraw/zinc/82/13/07/1018821307.db2.gz CTHZNTOJNMYVPK-MWLCHTKSSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C[C@H](O)CC(C)(C)O ZINC001606386279 1018821372 /nfs/dbraw/zinc/82/13/72/1018821372.db2.gz NIFDCLQZEVKKDF-AXFHLTTASA-N -1 0 303.355 -0.154 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cnncc2O)C1 ZINC001606394601 1018822503 /nfs/dbraw/zinc/82/25/03/1018822503.db2.gz PCSCNJDWXVBEFZ-APPZFPTMSA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(OC)ncn2)C1 ZINC001606392085 1018823117 /nfs/dbraw/zinc/82/31/17/1018823117.db2.gz LSIUCRGNTXWZID-WPRPVWTQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)C1CCC(NC(=O)C[C@H]2CC(=O)N2)(C(=O)[O-])CC1 ZINC001606396699 1018823372 /nfs/dbraw/zinc/82/33/72/1018823372.db2.gz PBPSPGCSNGLKPM-ZYTOWTHASA-N -1 0 312.322 -0.432 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H](O)c2cccnc2)[C@@H](C(=O)[O-])C1 ZINC001606403242 1018824052 /nfs/dbraw/zinc/82/40/52/1018824052.db2.gz GCZDDWFCTRRSOE-JLLWLGSASA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCn2ccnn2)[C@H](C(=O)[O-])C1 ZINC001606402689 1018824902 /nfs/dbraw/zinc/82/49/02/1018824902.db2.gz GAVNNWHIQBBGJA-UWVGGRQHSA-N -1 0 310.310 -0.467 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)[C@H](C(=O)[O-])C1 ZINC001606409219 1018825818 /nfs/dbraw/zinc/82/58/18/1018825818.db2.gz ZXFNKJXNHPZAQT-XVKPBYJWSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)[C@@H](C(=O)[O-])C1 ZINC001606405531 1018826221 /nfs/dbraw/zinc/82/62/21/1018826221.db2.gz ZNBBEUPDVYKPGH-OPRDCNLKSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C2(O)CCSCC2)C[C@H]1C(=O)[O-] ZINC001606415197 1018828289 /nfs/dbraw/zinc/82/82/89/1018828289.db2.gz COVQSDXHBIXOEW-BDAKNGLRSA-N -1 0 317.363 -0.423 20 0 DBADRM COC(=O)[C@H]1CCN(Cc2nnc3n2CCOC3)[C@@H](C(=O)[O-])C1 ZINC001606413516 1018828432 /nfs/dbraw/zinc/82/84/32/1018828432.db2.gz CRNOEBMTDARPMG-VHSXEESVSA-N -1 0 324.337 -0.354 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](CC(C)C)C(N)=O)C[C@H]1C(=O)[O-] ZINC001606415665 1018828845 /nfs/dbraw/zinc/82/88/45/1018828845.db2.gz HVTARWAPANXPQZ-IVZWLZJFSA-N -1 0 314.338 -0.534 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C2(OC)CCOCC2)C[C@@H]1C(=O)[O-] ZINC001606414997 1018828962 /nfs/dbraw/zinc/82/89/62/1018828962.db2.gz AYPFMZHSZIEWAT-UWVGGRQHSA-N -1 0 315.322 -0.486 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CO[C@H](C)C2)C[C@@H]1C(=O)[O-] ZINC001606417480 1018830418 /nfs/dbraw/zinc/83/04/18/1018830418.db2.gz IARGEHHKTWYOPU-XFWSIPNHSA-N -1 0 300.311 -0.321 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2cc(=O)n(C)cn2)C[C@H]1C(=O)[O-] ZINC001606420343 1018831122 /nfs/dbraw/zinc/83/11/22/1018831122.db2.gz GUJBNEZGMWSRFP-HTQZYQBOSA-N -1 0 324.293 -0.882 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2c(C)c(C)n[nH]c2=O)C[C@@H]1C(=O)[O-] ZINC001606420896 1018831281 /nfs/dbraw/zinc/83/12/81/1018831281.db2.gz JQQNLJHWWMMUOQ-DTWKUNHWSA-N -1 0 323.305 -0.255 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@@H]1C(=O)[O-] ZINC001606420457 1018831771 /nfs/dbraw/zinc/83/17/71/1018831771.db2.gz UXWLODLNNRDBPQ-WDEREUQCSA-N -1 0 322.317 -0.511 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC2CCOCC2)C[C@H]1C(=O)[O-] ZINC001606419087 1018831881 /nfs/dbraw/zinc/83/18/81/1018831881.db2.gz OVSSRMZUSBHGRX-NXEZZACHSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1C(=O)[O-] ZINC001606423637 1018832401 /nfs/dbraw/zinc/83/24/01/1018832401.db2.gz RJNMSUKVPIMBCN-NZFPMDFQSA-N -1 0 312.322 -0.179 20 0 DBADRM COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)C[C@H](C)CC(=O)[O-] ZINC001606425179 1018832818 /nfs/dbraw/zinc/83/28/18/1018832818.db2.gz FLVAJTXRTQSVAS-DTWKUNHWSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2nccn3ccnc23)C[C@@H]1C(=O)[O-] ZINC001606425305 1018833123 /nfs/dbraw/zinc/83/31/23/1018833123.db2.gz HNFZNVSHHXJIQK-IUCAKERBSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@@H]1C(=O)[O-] ZINC001606425112 1018833238 /nfs/dbraw/zinc/83/32/38/1018833238.db2.gz DWGMOQAIAFXFCD-IUCAKERBSA-N -1 0 324.289 -0.747 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnc3c[nH]nc3c2)C[C@H]1C(=O)[O-] ZINC001606425950 1018833492 /nfs/dbraw/zinc/83/34/92/1018833492.db2.gz OTJQLOQAAHDMLZ-RKDXNWHRSA-N -1 0 318.289 -0.096 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@@H]1C(=O)[O-] ZINC001606425111 1018833539 /nfs/dbraw/zinc/83/35/39/1018833539.db2.gz DWGMOQAIAFXFCD-DTWKUNHWSA-N -1 0 324.289 -0.747 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2nnc(C3CC3)o2)C[C@@H]1C(=O)[O-] ZINC001606424697 1018833656 /nfs/dbraw/zinc/83/36/56/1018833656.db2.gz ABXSHYRPURAZFK-YUMQZZPRSA-N -1 0 309.278 -0.107 20 0 DBADRM COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC001606427429 1018834319 /nfs/dbraw/zinc/83/43/19/1018834319.db2.gz XQGJEYUGABFSTI-SNVBAGLBSA-N -1 0 322.383 -0.782 20 0 DBADRM COC(=O)[C@H]1CSCCN1CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001606428551 1018834650 /nfs/dbraw/zinc/83/46/50/1018834650.db2.gz ATYORLOASUHAJP-KOLCDFICSA-N -1 0 318.395 -0.198 20 0 DBADRM COC(=O)[C@@H]1CN(Cn2cc3[nH]cccc-3c2=O)C[C@H]1C(=O)[O-] ZINC001606429887 1018835132 /nfs/dbraw/zinc/83/51/32/1018835132.db2.gz LSUVSYNWZOBLKJ-GHMZBOCLSA-N -1 0 319.317 -0.200 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@H]1C(=O)[O-] ZINC001606426564 1018835511 /nfs/dbraw/zinc/83/55/11/1018835511.db2.gz RWZTZEPXTOACLP-SFYZADRCSA-N -1 0 318.289 -0.096 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)Nc2cccnn2)C[C@H]1C(=O)[O-] ZINC001606430822 1018836535 /nfs/dbraw/zinc/83/65/35/1018836535.db2.gz QJCAJSAMGSACHE-BDAKNGLRSA-N -1 0 308.294 -0.779 20 0 DBADRM COC(=O)CC(C)(C)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001606434677 1018836958 /nfs/dbraw/zinc/83/69/58/1018836958.db2.gz COHUUGDYFUFQRE-UHFFFAOYSA-N -1 0 319.339 -0.025 20 0 DBADRM COC(=O)C[C@H](NC(=O)Cc1cn(C)nc1Cl)C(=O)[O-] ZINC001606440189 1018838067 /nfs/dbraw/zinc/83/80/67/1018838067.db2.gz IAHVETORSQDVDS-ZETCQYMHSA-N -1 0 303.702 -0.252 20 0 DBADRM COC(=O)C[C@H](C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001606441315 1018838775 /nfs/dbraw/zinc/83/87/75/1018838775.db2.gz SEJLGTXOANAFMA-YVZVNANGSA-N -1 0 321.351 -0.810 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)C[C@@H]1CCCOC1)C(=O)[O-] ZINC001606441886 1018838926 /nfs/dbraw/zinc/83/89/26/1018838926.db2.gz DSYDRGHCILHTJB-BDAKNGLRSA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)C(=O)[O-] ZINC001606438264 1018839153 /nfs/dbraw/zinc/83/91/53/1018839153.db2.gz FDNLECWQHDKMKL-PSASIEDQSA-N -1 0 314.338 -0.186 20 0 DBADRM COC(=O)C[C@@H](NC(=O)/C=C/CN1CCOCC1)C(=O)[O-] ZINC001606438189 1018839164 /nfs/dbraw/zinc/83/91/64/1018839164.db2.gz DRZRIBULCFEDMD-VMZHVLLKSA-N -1 0 300.311 -0.993 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001606452952 1018841542 /nfs/dbraw/zinc/84/15/42/1018841542.db2.gz KLBDOLIVAAWBPM-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM O=C([O-])[C@H]1CCCN(c2nnnn2C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC001606452511 1018841663 /nfs/dbraw/zinc/84/16/63/1018841663.db2.gz BRAWNLAPLODCLB-USZNOCQGSA-N -1 0 323.353 -0.222 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)c1ccc(C(=O)[O-])cn1 ZINC001606455206 1018842431 /nfs/dbraw/zinc/84/24/31/1018842431.db2.gz NMDVFZKTBCEWSG-UHFFFAOYSA-N -1 0 310.262 -0.384 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)C1CCN(OC)CC1)C(=O)[O-] ZINC001606458749 1018843346 /nfs/dbraw/zinc/84/33/46/1018843346.db2.gz RAZHGQLKJNDKJS-SNVBAGLBSA-N -1 0 302.327 -0.218 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1Cc1cccnc1)C2 ZINC001606458629 1018843608 /nfs/dbraw/zinc/84/36/08/1018843608.db2.gz GUUPDWZVUAGWBD-BXUZGUMPSA-N -1 0 316.321 -0.346 20 0 DBADRM O=C(C1CC1)[C@H]1CN(c2ccnc(-c3nnn[n-]3)n2)CCO1 ZINC001606463477 1018844287 /nfs/dbraw/zinc/84/42/87/1018844287.db2.gz FMDBJXITGVJELN-SECBINFHSA-N -1 0 301.310 -0.159 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cccn2c(=O)[nH]nc12)C(=O)[O-] ZINC001606460159 1018844347 /nfs/dbraw/zinc/84/43/47/1018844347.db2.gz KKTFIGYHOQBNIF-MRVPVSSYSA-N -1 0 322.277 -0.429 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001606467821 1018845517 /nfs/dbraw/zinc/84/55/17/1018845517.db2.gz AIMFEQSGNQAFLJ-UHFFFAOYSA-N -1 0 308.250 -0.637 20 0 DBADRM COC(=O)CNS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001606471070 1018845979 /nfs/dbraw/zinc/84/59/79/1018845979.db2.gz WDJMKTAMGKOEQM-UHFFFAOYSA-N -1 0 305.283 -0.096 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cn1 ZINC001606471668 1018846420 /nfs/dbraw/zinc/84/64/20/1018846420.db2.gz LJAVKYWWYQACHX-SECBINFHSA-N -1 0 304.262 -0.844 20 0 DBADRM COC(=O)Cn1ncc(NC(=O)C(=O)NC2(C(=O)[O-])CC2)c1C ZINC001606484235 1018846533 /nfs/dbraw/zinc/84/65/33/1018846533.db2.gz NWCMNVFMOUDUSN-UHFFFAOYSA-N -1 0 324.293 -0.964 20 0 DBADRM COC(=O)C[C@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606478908 1018846713 /nfs/dbraw/zinc/84/67/13/1018846713.db2.gz PVLSCXXLDOOVJM-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)COc1cccc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)c1 ZINC001606473079 1018846784 /nfs/dbraw/zinc/84/67/84/1018846784.db2.gz BDEYXIUPNOTZFU-AVCCJPFPSA-N -1 0 323.301 -0.054 20 0 DBADRM COC(=O)COCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001606474385 1018847229 /nfs/dbraw/zinc/84/72/29/1018847229.db2.gz WMVODNUQYHDMRU-UHFFFAOYSA-N -1 0 306.296 -0.819 20 0 DBADRM COC(=O)Cc1cccc(NC(=O)N2CC(O)(C(=O)[O-])C2)n1 ZINC001606479855 1018847457 /nfs/dbraw/zinc/84/74/57/1018847457.db2.gz MJOMSDYVOSSPJL-UHFFFAOYSA-N -1 0 309.278 -0.540 20 0 DBADRM COC(=O)NCC(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001606493351 1018847839 /nfs/dbraw/zinc/84/78/39/1018847839.db2.gz DORAJYFCCQERKU-QMMMGPOBSA-N -1 0 316.310 -0.403 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001606488257 1018847992 /nfs/dbraw/zinc/84/79/92/1018847992.db2.gz VOMLBOGCNKPIJF-SNVBAGLBSA-N -1 0 315.326 -0.696 20 0 DBADRM COC(=O)N1CC(N2C(=O)[C@@H]3CC[C@@H](C(=O)[O-])CN3C2=O)C1 ZINC001606488292 1018848058 /nfs/dbraw/zinc/84/80/58/1018848058.db2.gz WJWDAZOSVRQLKP-APPZFPTMSA-N -1 0 311.294 -0.436 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)[C@H](C)Sc1nncn1C ZINC001606501232 1018848118 /nfs/dbraw/zinc/84/81/18/1018848118.db2.gz OLDPQHPNSOTKNG-NKWVEPMBSA-N -1 0 317.323 -0.145 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC001606496369 1018848213 /nfs/dbraw/zinc/84/82/13/1018848213.db2.gz YTFRHZJKOUIWHT-POYBYMJQSA-N -1 0 301.324 -0.001 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC/C=C/CNC(=O)c1cnc([O-])n(C)c1=O ZINC001501657282 1018848746 /nfs/dbraw/zinc/84/87/46/1018848746.db2.gz VUMCOHSBOQYYQV-OKWQPMOJSA-N -1 0 320.349 -0.456 20 0 DBADRM COC(=O)NCCNC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001606494563 1018848776 /nfs/dbraw/zinc/84/87/76/1018848776.db2.gz FYARNBUFUHTJNE-QMMMGPOBSA-N -1 0 305.356 -0.198 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCCn2ncnc21 ZINC001606505018 1018850295 /nfs/dbraw/zinc/85/02/95/1018850295.db2.gz JZBDRNGYWFVRDB-DTWKUNHWSA-N -1 0 310.310 -0.322 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC001606504805 1018850347 /nfs/dbraw/zinc/85/03/47/1018850347.db2.gz GENCYHYSIOLYAJ-LPEHRKFASA-N -1 0 314.338 -0.199 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H](OC)C[C@@]2(C)C(=O)[O-])O1 ZINC001606510781 1018851027 /nfs/dbraw/zinc/85/10/27/1018851027.db2.gz WTEVIDQKSQIUOS-RBQUTUCGSA-N -1 0 315.322 -0.202 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H](OC)C[C@H]2C(=O)[O-])O1 ZINC001606516051 1018851092 /nfs/dbraw/zinc/85/10/92/1018851092.db2.gz FEUYSWRQINJBBN-XWLWVQCSSA-N -1 0 315.322 -0.202 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N[C@H](CC2OCCO2)C(=O)[O-])C1 ZINC001606520150 1018851281 /nfs/dbraw/zinc/85/12/81/1018851281.db2.gz ZZKYSABKDHNDDX-HRDYMLBCSA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001606515570 1018851605 /nfs/dbraw/zinc/85/16/05/1018851605.db2.gz VNQMRRRZVPTNPP-ZETCQYMHSA-N -1 0 307.280 -0.902 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C[C@@H](C)O1 ZINC001606518809 1018851844 /nfs/dbraw/zinc/85/18/44/1018851844.db2.gz AMHRVYLDUDJLKR-FOGDFJRCSA-N -1 0 316.354 -0.526 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H](OC)C[C@]2(C)C(=O)[O-])O1 ZINC001606510779 1018851864 /nfs/dbraw/zinc/85/18/64/1018851864.db2.gz WTEVIDQKSQIUOS-DLVJRCHESA-N -1 0 315.322 -0.202 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN1CC[C@H](C(=O)OC)C1 ZINC001606538395 1018852282 /nfs/dbraw/zinc/85/22/82/1018852282.db2.gz SNQAYIOEWDYMPG-QMMMGPOBSA-N -1 0 311.294 -0.180 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC001606531423 1018852433 /nfs/dbraw/zinc/85/24/33/1018852433.db2.gz GTPUWLNPYDDYHL-QMMMGPOBSA-N -1 0 319.277 -0.452 20 0 DBADRM COC(=O)c1[nH]cc(C(=O)[O-])c1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001606522806 1018853346 /nfs/dbraw/zinc/85/33/46/1018853346.db2.gz TYTGYDYUNLGXEQ-LURJTMIESA-N -1 0 309.278 -0.084 20 0 DBADRM COC(=O)c1cc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])ccn1 ZINC001606537408 1018853058 /nfs/dbraw/zinc/85/30/58/1018853058.db2.gz KMJPJIUAMOXFCE-SSDOTTSWSA-N -1 0 310.262 -0.386 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCCNC(=O)c2cnccn2)cn1 ZINC001606536585 1018853108 /nfs/dbraw/zinc/85/31/08/1018853108.db2.gz UYQIBIMJVWTUCI-UHFFFAOYSA-N -1 0 316.277 -0.875 20 0 DBADRM COC(=O)c1cc(C)nc(NCCn2cc(C(=O)[O-])nn2)n1 ZINC001606540432 1018853591 /nfs/dbraw/zinc/85/35/91/1018853591.db2.gz YBPZWCHBMPCNMZ-UHFFFAOYSA-N -1 0 306.282 -0.027 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])on1 ZINC001606565402 1018855359 /nfs/dbraw/zinc/85/53/59/1018855359.db2.gz ZBGPIHDAZNPQHJ-UHFFFAOYSA-N -1 0 306.296 -0.055 20 0 DBADRM O=C([O-])C1(C(=O)OC[C@H]2OCCNC2=O)CCSCC1 ZINC001606566910 1018855655 /nfs/dbraw/zinc/85/56/55/1018855655.db2.gz WRWPDJSNIUXRBE-MRVPVSSYSA-N -1 0 303.336 -0.357 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@](C)(C(=O)[O-])C2)n[nH]1 ZINC001606565588 1018855665 /nfs/dbraw/zinc/85/56/65/1018855665.db2.gz HNVSWCZQSCMSPY-NSHDSACASA-N -1 0 317.323 -0.318 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NN2CC(=O)NC2=O)c(F)c1 ZINC001606563959 1018855877 /nfs/dbraw/zinc/85/58/77/1018855877.db2.gz NPBDFQBTYUFAJX-UHFFFAOYSA-N -1 0 324.224 -0.955 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])n[nH]1 ZINC001606565823 1018856154 /nfs/dbraw/zinc/85/61/54/1018856154.db2.gz NHRQYWWRRCNSHZ-ZETCQYMHSA-N -1 0 317.323 -0.176 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)N1CCCS1(=O)=O ZINC001606575987 1018856746 /nfs/dbraw/zinc/85/67/46/1018856746.db2.gz QFPXAWSUYUUYMW-UHFFFAOYSA-N -1 0 323.334 -0.192 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C1CCC2(CC1)NC(=O)NC2=O ZINC001606570221 1018856860 /nfs/dbraw/zinc/85/68/60/1018856860.db2.gz YDGUCRIDLUGFIT-DVIFKPKBSA-N -1 0 309.322 -0.266 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)nc1)N1CCn2ncnc2C1 ZINC001606593935 1018857052 /nfs/dbraw/zinc/85/70/52/1018857052.db2.gz ANYACRGGCRHZQN-UHFFFAOYSA-N -1 0 311.309 -0.562 20 0 DBADRM COC(=O)c1ccc(C(=O)Nc2ccnc(C(=O)[O-])n2)n1C ZINC001606578057 1018857107 /nfs/dbraw/zinc/85/71/07/1018857107.db2.gz QLEUMRNNJBDBKT-UHFFFAOYSA-N -1 0 304.262 -0.026 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCC3(CNC(=O)O3)CC2)cn1 ZINC001606570207 1018857137 /nfs/dbraw/zinc/85/71/37/1018857137.db2.gz XLVKTWOREKIDTN-UHFFFAOYSA-N -1 0 306.278 -0.111 20 0 DBADRM COC(=O)c1ccc(C(=O)NCCC(=O)NCCC(=O)[O-])cn1 ZINC001606574154 1018857268 /nfs/dbraw/zinc/85/72/68/1018857268.db2.gz GYJFYOICESBDCI-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)cc1)N[C@@H](CO)c1ncc[nH]1 ZINC001606591991 1018857346 /nfs/dbraw/zinc/85/73/46/1018857346.db2.gz HFQLIDYGXIWCAI-NSHDSACASA-N -1 0 313.321 -0.018 20 0 DBADRM COC(=O)c1ccc(C(=O)NC2(C(=O)[O-])CC(CO)C2)n1C ZINC001606573830 1018857355 /nfs/dbraw/zinc/85/73/55/1018857355.db2.gz AHBHSQBXWOTOAI-UHFFFAOYSA-N -1 0 310.306 -0.233 20 0 DBADRM COC(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC001606608415 1018858464 /nfs/dbraw/zinc/85/84/64/1018858464.db2.gz JSNVHVPWEXFSIF-JTQLQIEISA-N -1 0 321.289 -0.717 20 0 DBADRM COC(=O)c1ccccc1NC(=O)CN[C@](C)(CO)C(=O)[O-] ZINC001606618991 1018859024 /nfs/dbraw/zinc/85/90/24/1018859024.db2.gz JFJKSSCNATYFHH-CQSZACIVSA-N -1 0 310.306 -0.163 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NC/C=C/C1CC1 ZINC001606615258 1018859294 /nfs/dbraw/zinc/85/92/94/1018859294.db2.gz LTMWDXBNWVAOTI-OWOJBTEDSA-N -1 0 317.309 -0.789 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCO[C@@H]2CCCC[C@H]21 ZINC001606621104 1018860230 /nfs/dbraw/zinc/86/02/30/1018860230.db2.gz XVBYDVSPHBNYAD-NXEZZACHSA-N -1 0 318.341 -0.372 20 0 DBADRM COC(=O)c1ccn(CCCC(=O)NCCOCC(=O)[O-])n1 ZINC001606621672 1018860268 /nfs/dbraw/zinc/86/02/68/1018860268.db2.gz HOHRNLNONCZJKK-UHFFFAOYSA-N -1 0 313.310 -0.333 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC(CC(F)(F)F)C1 ZINC001606620545 1018861114 /nfs/dbraw/zinc/86/11/14/1018861114.db2.gz JTTAUGVSVGJCGU-UHFFFAOYSA-N -1 0 316.247 -0.131 20 0 DBADRM COC(=O)c1cn(C2CN(C(=O)C[C@H](C)CC(=O)[O-])C2)nn1 ZINC001606623071 1018861347 /nfs/dbraw/zinc/86/13/47/1018861347.db2.gz OHNJDCCBPRRAGL-QMMMGPOBSA-N -1 0 310.310 -0.051 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H](C1CC1)C(F)(F)F ZINC001606620388 1018861406 /nfs/dbraw/zinc/86/14/06/1018861406.db2.gz KNAIZKTZMCGQJO-SSDOTTSWSA-N -1 0 316.247 -0.085 20 0 DBADRM COC(=O)c1cncc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])c1 ZINC001606629696 1018862420 /nfs/dbraw/zinc/86/24/20/1018862420.db2.gz OHLXIGSCWDYBQU-SSDOTTSWSA-N -1 0 302.308 -0.038 20 0 DBADRM COC(=O)c1cnn(CC(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)c1 ZINC001606630072 1018862260 /nfs/dbraw/zinc/86/22/60/1018862260.db2.gz VVGVLPFDIPPSCY-NSHDSACASA-N -1 0 321.293 -0.655 20 0 DBADRM COC(=O)c1nc(C(=O)N2CCN(CC(=O)[O-])CC2)cs1 ZINC001606634705 1018862619 /nfs/dbraw/zinc/86/26/19/1018862619.db2.gz ZRSOKWUZNRPURL-UHFFFAOYSA-N -1 0 313.335 -0.228 20 0 DBADRM COC(=O)c1cnc(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)cn1 ZINC001606625151 1018862727 /nfs/dbraw/zinc/86/27/27/1018862727.db2.gz IJELRMKGIWBKKO-XVKPBYJWSA-N -1 0 309.278 -0.423 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@@H]1CN(c2ncc(C(=O)[O-])cn2)CCO1 ZINC001606659753 1018863467 /nfs/dbraw/zinc/86/34/67/1018863467.db2.gz ROOKTJOJJAGSNG-GXSJLCMTSA-N -1 0 324.337 -0.469 20 0 DBADRM CO[C@H](C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)C(C)C ZINC001606650092 1018863672 /nfs/dbraw/zinc/86/36/72/1018863672.db2.gz FUFFBHNIKQGGDK-HOTUBEGUSA-N -1 0 307.368 -0.339 20 0 DBADRM CO[C@@H](C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])c1ccc(O)cc1 ZINC001606649387 1018863923 /nfs/dbraw/zinc/86/39/23/1018863923.db2.gz RZBUSFXSCMDSNP-DGCLKSJQSA-N -1 0 322.317 -0.119 20 0 DBADRM CO[C@H](C)C(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-] ZINC001606659610 1018864411 /nfs/dbraw/zinc/86/44/11/1018864411.db2.gz PPNIOVXYKLEBNJ-HRDYMLBCSA-N -1 0 304.368 -0.098 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H](CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001606659916 1018864612 /nfs/dbraw/zinc/86/46/12/1018864612.db2.gz UWNUZNWCBVENFG-WCBMZHEXSA-N -1 0 308.338 -0.062 20 0 DBADRM CO[C@@H](CC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-])C(F)(F)F ZINC001606671035 1018865245 /nfs/dbraw/zinc/86/52/45/1018865245.db2.gz VNWXETUYZMKLOW-RQJHMYQMSA-N -1 0 312.244 -0.292 20 0 DBADRM COC(CN(CCC(=O)[O-])CCN1CCCS1(=O)=O)OC ZINC001606674042 1018865417 /nfs/dbraw/zinc/86/54/17/1018865417.db2.gz CQKAIXKBQVDVGE-UHFFFAOYSA-N -1 0 324.399 -0.583 20 0 DBADRM CO[C@H](CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-])[C@@H]1CCOC1 ZINC001606673354 1018865732 /nfs/dbraw/zinc/86/57/32/1018865732.db2.gz HWXDTCCVFAUNLC-GRYCIOLGSA-N -1 0 321.395 -0.388 20 0 DBADRM COC1(C(=O)Nc2cc(C)c(C(=O)[O-])cn2)CS(=O)(=O)C1 ZINC001606690570 1018866533 /nfs/dbraw/zinc/86/65/33/1018866533.db2.gz XFTHQBYIITZVQA-UHFFFAOYSA-N -1 0 314.319 -0.160 20 0 DBADRM COC1(C(=O)NCCC(=O)NCCC(=O)[O-])CCOCC1 ZINC001606690499 1018866547 /nfs/dbraw/zinc/86/65/47/1018866547.db2.gz SSZNNOJCHFOJRP-UHFFFAOYSA-N -1 0 302.327 -0.721 20 0 DBADRM CO[C@@H](CS(=O)(=O)NCCn1cc(C(=O)[O-])nn1)C(C)C ZINC001606683756 1018866771 /nfs/dbraw/zinc/86/67/71/1018866771.db2.gz YSJOFKKARHENAQ-JTQLQIEISA-N -1 0 320.371 -0.433 20 0 DBADRM COC1(C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])CS(=O)(=O)C1 ZINC001606687595 1018867478 /nfs/dbraw/zinc/86/74/78/1018867478.db2.gz FHNYKGKZEZGICI-VIFPVBQESA-N -1 0 323.367 -0.863 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H](C)OC[C@@H]2C)C1 ZINC001606692611 1018868008 /nfs/dbraw/zinc/86/80/08/1018868008.db2.gz ZABZQYDOYCUYRN-IMSIIYSGSA-N -1 0 314.338 -0.676 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2c(C)c(C)nn2C)C1 ZINC001606696686 1018868024 /nfs/dbraw/zinc/86/80/24/1018868024.db2.gz MWTZNJFPSYAJBY-CQSZACIVSA-N -1 0 324.337 -0.322 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2c(C)c(C)nn2C)C1 ZINC001606696685 1018868311 /nfs/dbraw/zinc/86/83/11/1018868311.db2.gz MWTZNJFPSYAJBY-AWEZNQCLSA-N -1 0 324.337 -0.322 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCc2nnc3n2CCC3)C1 ZINC001606697323 1018868642 /nfs/dbraw/zinc/86/86/42/1018868642.db2.gz BHTSRCGGCDZHQG-ZDUSSCGKSA-N -1 0 309.326 -0.391 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCCN2CCO[C@@H](C)C2)C1 ZINC001606697311 1018868687 /nfs/dbraw/zinc/86/86/87/1018868687.db2.gz BBYGQMJJBHYFSV-SMDDNHRTSA-N -1 0 315.370 -0.408 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001606696542 1018868891 /nfs/dbraw/zinc/86/88/91/1018868891.db2.gz DGBYURXRXLSGHU-SKDRFNHKSA-N -1 0 320.367 -0.551 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)Cc2cc[nH]n2)C1 ZINC001606691902 1018868928 /nfs/dbraw/zinc/86/89/28/1018868928.db2.gz SJOIEOJXTAOVPC-ZDUSSCGKSA-N -1 0 310.310 -0.930 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001606700222 1018869929 /nfs/dbraw/zinc/86/99/29/1018869929.db2.gz FVXZDODLHWRSSI-NSHDSACASA-N -1 0 318.307 -0.757 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCCN2CCOCC2)C1 ZINC001606698039 1018870055 /nfs/dbraw/zinc/87/00/55/1018870055.db2.gz GBMDKOBNDWADOC-ZDUSSCGKSA-N -1 0 301.343 -0.796 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001606701234 1018870239 /nfs/dbraw/zinc/87/02/39/1018870239.db2.gz ZRDTWKHXPSVJMG-AWEZNQCLSA-N -1 0 317.305 -0.022 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NC[C@@]2(OC)CCOC2)C1 ZINC001606716844 1018870863 /nfs/dbraw/zinc/87/08/63/1018870863.db2.gz MHVDBQXDKJBNDP-QWHCGFSZSA-N -1 0 302.327 -0.323 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N=S(C)(C)=O)C1 ZINC001606705881 1018871392 /nfs/dbraw/zinc/87/13/92/1018871392.db2.gz HDPZIOPHVYVMDH-QMMMGPOBSA-N -1 0 300.358 -0.866 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC001606707019 1018871565 /nfs/dbraw/zinc/87/15/65/1018871565.db2.gz UOLSEIACENBMAI-BXUZGUMPSA-N -1 0 310.354 -0.010 20 0 DBADRM COC1(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CCOCC1 ZINC001606714980 1018871779 /nfs/dbraw/zinc/87/17/79/1018871779.db2.gz UQGPZXMWAJMYDY-JTQLQIEISA-N -1 0 314.338 -0.769 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nccc(S(C)(=O)=O)n2)C1 ZINC001606706788 1018872048 /nfs/dbraw/zinc/87/20/48/1018872048.db2.gz RINVAFHMGPUAKV-NSHDSACASA-N -1 0 301.324 -0.440 20 0 DBADRM O=C(NC[C@@H]1CCCNC1=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001606735587 1018872480 /nfs/dbraw/zinc/87/24/80/1018872480.db2.gz UFZBKROUGMTNLC-VIFPVBQESA-N -1 0 316.321 -0.172 20 0 DBADRM COC1(CS(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])CCOCC1 ZINC001606721480 1018872668 /nfs/dbraw/zinc/87/26/68/1018872668.db2.gz YIEWLJMVPVJZIF-ZJUUUORDSA-N -1 0 323.367 -0.968 20 0 DBADRM COC1(CS(=O)(=O)NC2CC(C(=O)[O-])C2)CCOCC1 ZINC001606719358 1018873667 /nfs/dbraw/zinc/87/36/67/1018873667.db2.gz AQMWPGWLHXPFRX-UHFFFAOYSA-N -1 0 307.368 -0.035 20 0 DBADRM CO[C@@H]1CCN(C(=O)CCCCNC(N)=O)[C@@H](C(=O)[O-])C1 ZINC001606749285 1018873377 /nfs/dbraw/zinc/87/33/77/1018873377.db2.gz AGYKIJIGKMGJKS-NXEZZACHSA-N -1 0 301.343 -0.084 20 0 DBADRM CO[C@@H]1CCN(C(=O)CCCCNC(N)=O)[C@H](C(=O)[O-])C1 ZINC001606749288 1018873641 /nfs/dbraw/zinc/87/36/41/1018873641.db2.gz AGYKIJIGKMGJKS-ZJUUUORDSA-N -1 0 301.343 -0.084 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)N=S(C)(C)=O)[C@@H](C(=O)[O-])C1 ZINC001606762475 1018874201 /nfs/dbraw/zinc/87/42/01/1018874201.db2.gz ZLZYRQRFUBRFOC-HTQZYQBOSA-N -1 0 314.385 -0.477 20 0 DBADRM CO[C@@H]1CN(C(=O)COCc2ocnc2C(=O)[O-])CCO1 ZINC001606762940 1018874351 /nfs/dbraw/zinc/87/43/51/1018874351.db2.gz HLLGGCBDYVRRMN-JTQLQIEISA-N -1 0 300.267 -0.279 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001606771792 1018874624 /nfs/dbraw/zinc/87/46/24/1018874624.db2.gz JJCJKQFTUSGDOC-WDEREUQCSA-N -1 0 316.354 -0.523 20 0 DBADRM COCC(=O)NC[C@H]1CN(c2ccnc(C(=O)[O-])n2)CCO1 ZINC001606773955 1018874747 /nfs/dbraw/zinc/87/47/47/1018874747.db2.gz ALKPHUOIEXNXBK-VIFPVBQESA-N -1 0 310.310 -0.857 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001606772964 1018875191 /nfs/dbraw/zinc/87/51/91/1018875191.db2.gz ZEIHPNFJGSGYSP-ZJUUUORDSA-N -1 0 302.327 -0.770 20 0 DBADRM COCC(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001606774628 1018875464 /nfs/dbraw/zinc/87/54/64/1018875464.db2.gz UGOXNNPSESMJFO-LBPRGKRZSA-N -1 0 308.334 -0.049 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C(C)C ZINC001606774150 1018875684 /nfs/dbraw/zinc/87/56/84/1018875684.db2.gz GRAAQBHEFKIFHW-SCVCMEIPSA-N -1 0 316.354 -0.526 20 0 DBADRM COCC(=O)N(C)CC(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-] ZINC001606772717 1018875772 /nfs/dbraw/zinc/87/57/72/1018875772.db2.gz WDCOPBAGIWVBDC-GFCCVEGCSA-N -1 0 324.333 -0.260 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001606780737 1018877379 /nfs/dbraw/zinc/87/73/79/1018877379.db2.gz LOVCPXWOKLAZBZ-MYJAWHEDSA-N -1 0 314.353 -0.347 20 0 DBADRM COC[C@@](C)(NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)C(=O)[O-] ZINC001606787873 1018877821 /nfs/dbraw/zinc/87/78/21/1018877821.db2.gz IRJUEAGPAMBABH-GXFFZTMASA-N -1 0 310.310 -0.481 20 0 DBADRM COC[C@H](C)CNC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001606797080 1018878073 /nfs/dbraw/zinc/87/80/73/1018878073.db2.gz FEKKLANRLAWCDJ-KXUCPTDWSA-N -1 0 302.327 -0.216 20 0 DBADRM COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001606798729 1018878631 /nfs/dbraw/zinc/87/86/31/1018878631.db2.gz SNAMARQUIDFVHY-COPLHBTASA-N -1 0 316.354 -0.296 20 0 DBADRM COC[C@](C)(NC(=O)CCN1C(=O)CCNC1=S)C(=O)[O-] ZINC001606787971 1018878759 /nfs/dbraw/zinc/87/87/59/1018878759.db2.gz MWMJQJHJJADCEL-LBPRGKRZSA-N -1 0 317.367 -0.911 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1conc1C1CC1 ZINC001606802962 1018879197 /nfs/dbraw/zinc/87/91/97/1018879197.db2.gz UGKGJEFWCDBDLE-UHFFFAOYSA-N -1 0 315.297 -0.246 20 0 DBADRM COC[C@H](C)n1ccc(NC(=O)NCC(=O)NCC(=O)[O-])n1 ZINC001606800082 1018879341 /nfs/dbraw/zinc/87/93/41/1018879341.db2.gz UXKIHWFBVJRIFV-QMMMGPOBSA-N -1 0 313.314 -0.587 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1c[nH]c2ncccc12 ZINC001606802912 1018879504 /nfs/dbraw/zinc/87/95/04/1018879504.db2.gz SOCCJHJFZUXSPY-UHFFFAOYSA-N -1 0 324.308 -0.236 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001606800872 1018879631 /nfs/dbraw/zinc/87/96/31/1018879631.db2.gz WJPGWQFTPAVBKL-QMMMGPOBSA-N -1 0 314.269 -0.414 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cccc(O)c1F ZINC001606802189 1018880192 /nfs/dbraw/zinc/88/01/92/1018880192.db2.gz HYUFRZCTOQDBHJ-UHFFFAOYSA-N -1 0 318.272 -0.267 20 0 DBADRM COC[C@H](CNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)OC ZINC001606800270 1018880353 /nfs/dbraw/zinc/88/03/53/1018880353.db2.gz GTNKHLYLWLRKBC-WDEREUQCSA-N -1 0 304.343 -0.485 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)OC1CCOCC1 ZINC001606802561 1018880574 /nfs/dbraw/zinc/88/05/74/1018880574.db2.gz NLNVNJDVHUZSAD-UHFFFAOYSA-N -1 0 308.302 -0.637 20 0 DBADRM COC[C@H](CS(=O)(=O)NCc1ccc(C(=O)[O-])cn1)OC ZINC001606804084 1018880634 /nfs/dbraw/zinc/88/06/34/1018880634.db2.gz AUPYAZJFZGOFNH-LLVKDONJSA-N -1 0 318.351 -0.139 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1)C(=O)[O-] ZINC001606812602 1018881138 /nfs/dbraw/zinc/88/11/38/1018881138.db2.gz CXGMGZRMSLFNGL-WZRBSPASSA-N -1 0 321.333 -0.183 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)[O-] ZINC001606806177 1018881609 /nfs/dbraw/zinc/88/16/09/1018881609.db2.gz ITFSAWNVPUYLSQ-SFYZADRCSA-N -1 0 314.260 -0.535 20 0 DBADRM COC[C@H](NC(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)C(=O)[O-] ZINC001606811397 1018881655 /nfs/dbraw/zinc/88/16/55/1018881655.db2.gz ZFDCHCPJSHVNRX-QMMMGPOBSA-N -1 0 323.309 -0.783 20 0 DBADRM COC[C@@H](NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1)C1CC1 ZINC001606805185 1018881771 /nfs/dbraw/zinc/88/17/71/1018881771.db2.gz KBKUZXZWFCWPHV-FBIMIBRVSA-N -1 0 314.338 -0.772 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)C(=O)[O-] ZINC001606806381 1018881926 /nfs/dbraw/zinc/88/19/26/1018881926.db2.gz OYWSIBGABWNPMY-BQBZGAKWSA-N -1 0 312.244 -0.245 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)OC ZINC001606816328 1018882599 /nfs/dbraw/zinc/88/25/99/1018882599.db2.gz VYWMTQIUHBFNHV-QMMMGPOBSA-N -1 0 320.323 -0.810 20 0 DBADRM COC[C@@H](OC)C(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CC1 ZINC001606821726 1018882814 /nfs/dbraw/zinc/88/28/14/1018882814.db2.gz CPBKWORWUQNLBJ-SNVBAGLBSA-N -1 0 324.337 -0.103 20 0 DBADRM COC[C@H](OC)C(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CC1 ZINC001606821725 1018883068 /nfs/dbraw/zinc/88/30/68/1018883068.db2.gz CPBKWORWUQNLBJ-JTQLQIEISA-N -1 0 324.337 -0.103 20 0 DBADRM COC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001606818639 1018883138 /nfs/dbraw/zinc/88/31/38/1018883138.db2.gz NSHOUENZOVBHTC-PSASIEDQSA-N -1 0 311.294 -0.584 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-] ZINC001606818189 1018883568 /nfs/dbraw/zinc/88/35/68/1018883568.db2.gz KAPFHJHRCADCSC-PSASIEDQSA-N -1 0 319.339 -0.778 20 0 DBADRM COC[C@]1(C(=O)OC)CCCN1Cc1cn(CC(=O)[O-])nn1 ZINC001606834173 1018884153 /nfs/dbraw/zinc/88/41/53/1018884153.db2.gz CGVPOXAERWVDNC-ZDUSSCGKSA-N -1 0 312.326 -0.483 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CCc2nncn2C1 ZINC001606830090 1018884196 /nfs/dbraw/zinc/88/41/96/1018884196.db2.gz IJGJVSUKMSQVSQ-HZMBPMFUSA-N -1 0 308.338 -0.067 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001606833270 1018884378 /nfs/dbraw/zinc/88/43/78/1018884378.db2.gz RCPWHHOTIGKCQW-ZDUSSCGKSA-N -1 0 311.294 -0.808 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001606828281 1018884421 /nfs/dbraw/zinc/88/44/21/1018884421.db2.gz RCWGAZVNFGXXRH-CYBMUJFWSA-N -1 0 312.326 -0.936 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N=S(C)(C)=O ZINC001606834652 1018884618 /nfs/dbraw/zinc/88/46/18/1018884618.db2.gz VABYUJBEAXUTCH-SECBINFHSA-N -1 0 314.385 -0.476 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1Cc1ccc(S(N)(=O)=O)o1 ZINC001606833645 1018884823 /nfs/dbraw/zinc/88/48/23/1018884823.db2.gz NBYKTBXMDMQTQC-GFCCVEGCSA-N -1 0 318.351 -0.007 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CCc2nncn2C1 ZINC001606830092 1018884882 /nfs/dbraw/zinc/88/48/82/1018884882.db2.gz IJGJVSUKMSQVSQ-QMTHXVAHSA-N -1 0 308.338 -0.067 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001606830939 1018885176 /nfs/dbraw/zinc/88/51/76/1018885176.db2.gz UBOVVSCULULMIF-ZWNOBZJWSA-N -1 0 319.379 -0.097 20 0 DBADRM COCC1(CNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CCC1 ZINC001606840324 1018885961 /nfs/dbraw/zinc/88/59/61/1018885961.db2.gz RHFUVVSRFFHNBP-UHFFFAOYSA-N -1 0 324.337 -0.010 20 0 DBADRM COCCOCCCNC(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001606904036 1018893865 /nfs/dbraw/zinc/89/38/65/1018893865.db2.gz YLAPOEHHACOHRT-ZDUSSCGKSA-N -1 0 304.343 -0.075 20 0 DBADRM COC[C@H]1CCCN1C(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001606846294 1018886605 /nfs/dbraw/zinc/88/66/05/1018886605.db2.gz UULXYDNDUZZLCB-QMTHXVAHSA-N -1 0 314.338 -0.674 20 0 DBADRM COCC[C@@H](NC(=O)CC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC001606854925 1018887477 /nfs/dbraw/zinc/88/74/77/1018887477.db2.gz MBISELURMDRAQU-SECBINFHSA-N -1 0 307.368 -0.193 20 0 DBADRM COCCC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001606849919 1018887859 /nfs/dbraw/zinc/88/78/59/1018887859.db2.gz MBXZLHYLJVVSDE-NXEZZACHSA-N -1 0 308.338 -0.108 20 0 DBADRM COCCC1CCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001606865052 1018888934 /nfs/dbraw/zinc/88/89/34/1018888934.db2.gz SCWRXEUBOZTGMV-JTQLQIEISA-N -1 0 304.318 -0.200 20 0 DBADRM COCC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001606856412 1018889549 /nfs/dbraw/zinc/88/95/49/1018889549.db2.gz PIKKHLSUCFAQCS-QMMMGPOBSA-N -1 0 304.324 -0.545 20 0 DBADRM COCC[C@H](NC(=O)c1c(C)[nH]c(=O)[nH]c1=S)C(=O)[O-] ZINC001606856759 1018889828 /nfs/dbraw/zinc/88/98/28/1018889828.db2.gz HXXBJPJWRLKBGA-LURJTMIESA-N -1 0 301.324 -0.001 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001606878942 1018890185 /nfs/dbraw/zinc/89/01/85/1018890185.db2.gz YMSIVKWTBXQQNF-UWVGGRQHSA-N -1 0 322.383 -0.736 20 0 DBADRM COCCCCN(C)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001606870289 1018891011 /nfs/dbraw/zinc/89/10/11/1018891011.db2.gz ZGVFBICJJKCPSY-GHMZBOCLSA-N -1 0 316.354 -0.835 20 0 DBADRM COCCCNC(=O)CN1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001606869463 1018891324 /nfs/dbraw/zinc/89/13/24/1018891324.db2.gz KIGSZZYYOHXRSK-GHMZBOCLSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001606880907 1018891806 /nfs/dbraw/zinc/89/18/06/1018891806.db2.gz OTJLKARFTJPHIU-ZJUUUORDSA-N -1 0 310.372 -0.579 20 0 DBADRM COCCN1C[C@@H](C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1=O ZINC001606893284 1018891822 /nfs/dbraw/zinc/89/18/22/1018891822.db2.gz KMMOKLHOLWJIOO-VWYCJHECSA-N -1 0 314.338 -0.818 20 0 DBADRM COCCN1C[C@H](C(=O)Nc2cc(C(=O)[O-])nn2C)CC1=O ZINC001606893765 1018891918 /nfs/dbraw/zinc/89/19/18/1018891918.db2.gz SULINJRNRLFXNZ-MRVPVSSYSA-N -1 0 310.310 -0.448 20 0 DBADRM COCCNC(=O)CNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001606894460 1018892706 /nfs/dbraw/zinc/89/27/06/1018892706.db2.gz BLSZGOUJSIYUGC-ZJUUUORDSA-N -1 0 322.383 -0.688 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC001606890257 1018893050 /nfs/dbraw/zinc/89/30/50/1018893050.db2.gz XJLMNUFSXHGOOE-GHMZBOCLSA-N -1 0 324.399 -0.331 20 0 DBADRM COCCN1CCN(C(=O)c2csc(C(=O)[O-])n2)CC1=O ZINC001606895549 1018893492 /nfs/dbraw/zinc/89/34/92/1018893492.db2.gz RDHYVIXIRHITEO-UHFFFAOYSA-N -1 0 313.335 -0.228 20 0 DBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)NC[C@H](F)C(=O)[O-] ZINC001606900534 1018893519 /nfs/dbraw/zinc/89/35/19/1018893519.db2.gz JSYGUUNZHKCSNV-IVZWLZJFSA-N -1 0 308.306 -0.471 20 0 DBADRM COCCOCCC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001606903575 1018893766 /nfs/dbraw/zinc/89/37/66/1018893766.db2.gz OTCJYMSRYYYTDI-WDEREUQCSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCOC1CN(C(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001606900402 1018893853 /nfs/dbraw/zinc/89/38/53/1018893853.db2.gz IAPGHSCNULYSBC-UHFFFAOYSA-N -1 0 314.294 -0.237 20 0 DBADRM COCCOC[C@@H](C)NC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001606904067 1018894010 /nfs/dbraw/zinc/89/40/10/1018894010.db2.gz YXYVZECTLVIFBV-GHMZBOCLSA-N -1 0 316.354 -0.380 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606903469 1018894256 /nfs/dbraw/zinc/89/42/56/1018894256.db2.gz MOPSMHSWBAOIBN-LPEHRKFASA-N -1 0 302.327 -0.867 20 0 DBADRM COCCOC1CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1 ZINC001606900323 1018894545 /nfs/dbraw/zinc/89/45/45/1018894545.db2.gz FLBHOAXGMKIJJN-LLVKDONJSA-N -1 0 314.338 -0.817 20 0 DBADRM COCCOCCS(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001606906660 1018895124 /nfs/dbraw/zinc/89/51/24/1018895124.db2.gz OTUYGBAUDANTPR-NSHDSACASA-N -1 0 311.356 -0.797 20 0 DBADRM COCCS(=O)(=O)CCCN1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001606919338 1018895418 /nfs/dbraw/zinc/89/54/18/1018895418.db2.gz GLCSFKMFFWHBOQ-QWRGUYRKSA-N -1 0 309.384 -0.388 20 0 DBADRM COCCOc1cc(OC)ccc1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001606910237 1018895437 /nfs/dbraw/zinc/89/54/37/1018895437.db2.gz DNUCUUNDRRERSZ-NSHDSACASA-N -1 0 313.306 -0.104 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC001606919211 1018895695 /nfs/dbraw/zinc/89/56/95/1018895695.db2.gz CUOZKENKOHOUGX-ZJUUUORDSA-N -1 0 323.367 -0.862 20 0 DBADRM COCCOCCN(CCO)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001606904478 1018895780 /nfs/dbraw/zinc/89/57/80/1018895780.db2.gz LUMFWWZREFMOKA-UHFFFAOYSA-N -1 0 300.311 -0.190 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC001606919521 1018896083 /nfs/dbraw/zinc/89/60/83/1018896083.db2.gz HBYOJBILFIQWTR-UHFFFAOYSA-N -1 0 305.352 -0.344 20 0 DBADRM COCCn1cc(CNC(=O)NCCOCC(=O)[O-])cn1 ZINC001606931085 1018896387 /nfs/dbraw/zinc/89/63/87/1018896387.db2.gz PQADYTGVUCYVMW-UHFFFAOYSA-N -1 0 300.315 -0.570 20 0 DBADRM COC[C@H](CO)NC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001606937801 1018896793 /nfs/dbraw/zinc/89/67/93/1018896793.db2.gz OJYDDLQUVDAKJV-DTWKUNHWSA-N -1 0 312.326 -0.277 20 0 DBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001606937429 1018897118 /nfs/dbraw/zinc/89/71/18/1018897118.db2.gz VLWJRTVXRUJHSA-VIFPVBQESA-N -1 0 322.383 -0.607 20 0 DBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001606936765 1018897163 /nfs/dbraw/zinc/89/71/63/1018897163.db2.gz CIPRBCDBRKUKGW-LPEHRKFASA-N -1 0 322.383 -0.608 20 0 DBADRM COCCn1ccc(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001606932468 1018897183 /nfs/dbraw/zinc/89/71/83/1018897183.db2.gz AYCYPZAGRYOZBY-VHSXEESVSA-N -1 0 312.326 -0.171 20 0 DBADRM COCCn1cc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c(C)n1 ZINC001606929266 1018897618 /nfs/dbraw/zinc/89/76/18/1018897618.db2.gz KPEGBMGCDCEGPC-GHMZBOCLSA-N -1 0 311.338 -0.254 20 0 DBADRM COCc1cc(C(=O)[O-])cc(S(=O)(=O)N(C)CC(N)=O)c1 ZINC001606939698 1018897915 /nfs/dbraw/zinc/89/79/15/1018897915.db2.gz CBCRIOOPJMCVIU-UHFFFAOYSA-N -1 0 316.335 -0.363 20 0 DBADRM O=C([O-])C1CN(S(=O)(=O)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001606959992 1018898673 /nfs/dbraw/zinc/89/86/73/1018898673.db2.gz FKULNFXLQYFTRG-UHFFFAOYSA-N -1 0 323.334 -0.287 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cc(-c2nn[nH]n2)ccc1F ZINC001606959257 1018899060 /nfs/dbraw/zinc/89/90/60/1018899060.db2.gz JZGLLEIEQCVBQW-UHFFFAOYSA-N -1 0 306.217 -0.608 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001606938066 1018899148 /nfs/dbraw/zinc/89/91/48/1018899148.db2.gz ZQBOGWPHPADRNY-JTQLQIEISA-N -1 0 309.384 -0.052 20 0 DBADRM COCc1ncc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])s1 ZINC001606977984 1018899868 /nfs/dbraw/zinc/89/98/68/1018899868.db2.gz LDZFAUGTONDMFA-SSDOTTSWSA-N -1 0 313.335 -0.343 20 0 DBADRM CON(C(=O)c1cc(S(N)(=O)=O)cn1C)[C@@H](C)CC(=O)[O-] ZINC001606987910 1018901174 /nfs/dbraw/zinc/90/11/74/1018901174.db2.gz OZZHCXGEYLLHBR-ZETCQYMHSA-N -1 0 319.339 -0.461 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001606989711 1018901273 /nfs/dbraw/zinc/90/12/73/1018901273.db2.gz CLJMWXXBUKQBSU-UHFFFAOYSA-N -1 0 302.308 -0.317 20 0 DBADRM CON(C(=O)CCCN1C(=O)CN(C)C1=O)[C@@H](C)CC(=O)[O-] ZINC001606986403 1018902324 /nfs/dbraw/zinc/90/23/24/1018902324.db2.gz JZKYCLWSCYGVKE-VIFPVBQESA-N -1 0 315.326 -0.086 20 0 DBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001606999922 1018903666 /nfs/dbraw/zinc/90/36/66/1018903666.db2.gz MFEFAKVPQKRVAA-IONNQARKSA-N -1 0 305.308 -0.022 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606999125 1018904324 /nfs/dbraw/zinc/90/43/24/1018904324.db2.gz FPMLNYRNJQVWQS-HBNTYKKESA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001607000132 1018905868 /nfs/dbraw/zinc/90/58/68/1018905868.db2.gz UWTUTVKQVZVGPN-AXFHLTTASA-N -1 0 302.327 -0.733 20 0 DBADRM COc1c(C(=O)NCCNc2ccnc(C(=O)[O-])n2)cnn1C ZINC001607010010 1018909299 /nfs/dbraw/zinc/90/92/99/1018909299.db2.gz LTLVZIIXYPEVGL-UHFFFAOYSA-N -1 0 320.309 -0.819 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCSC[C@H]1C(=O)[O-] ZINC001607007361 1018910786 /nfs/dbraw/zinc/91/07/86/1018910786.db2.gz XSSATWNGSCUSQV-YFKPBYRVSA-N -1 0 315.307 -0.461 20 0 DBADRM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC(=O)NC1 ZINC001607041577 1018914338 /nfs/dbraw/zinc/91/43/38/1018914338.db2.gz DKJJSABAMJNWAH-VIFPVBQESA-N -1 0 302.294 -0.197 20 0 DBADRM COc1c(NC2CCN(CC(N)=O)CC2)ncnc1C(=O)[O-] ZINC001607035425 1018914673 /nfs/dbraw/zinc/91/46/73/1018914673.db2.gz VUIUCKQFGVRLPV-UHFFFAOYSA-N -1 0 309.326 -0.455 20 0 DBADRM COc1cc(=O)[nH]cc1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001607056167 1018933212 /nfs/dbraw/zinc/93/32/12/1018933212.db2.gz PPZSJKIESLNZNC-QMMMGPOBSA-N -1 0 309.278 -0.837 20 0 DBADRM O=S(=O)(N[C@@H](CO)C1CC1)c1ccsc1-c1nnn[n-]1 ZINC001607062527 1018935405 /nfs/dbraw/zinc/93/54/05/1018935405.db2.gz JEFIYPULMZZHBL-ZETCQYMHSA-N -1 0 315.380 -0.023 20 0 DBADRM COc1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)on1 ZINC001607073169 1018944852 /nfs/dbraw/zinc/94/48/52/1018944852.db2.gz BSCOLJXTQUMCTE-IUCAKERBSA-N -1 0 323.305 -0.408 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1CCC2(COC2)C1 ZINC001607073766 1018946318 /nfs/dbraw/zinc/94/63/18/1018946318.db2.gz JKOFALODXAYQRQ-UHFFFAOYSA-N -1 0 322.350 -0.327 20 0 DBADRM COc1cc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)on1 ZINC001607068432 1018947059 /nfs/dbraw/zinc/94/70/59/1018947059.db2.gz VHPGNWCEWYFEEB-IUCAKERBSA-N -1 0 323.305 -0.313 20 0 DBADRM COc1cc(C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])ncn1 ZINC001607076422 1018949409 /nfs/dbraw/zinc/94/94/09/1018949409.db2.gz WXPHMZPKGJEEHV-CYBMUJFWSA-N -1 0 305.294 -0.045 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N(C)CC(N)=O ZINC001607121520 1018973178 /nfs/dbraw/zinc/97/31/78/1018973178.db2.gz PMSWCXGLDJBNBW-UHFFFAOYSA-N -1 0 309.278 -0.724 20 0 DBADRM c1nc(-c2nnn[n-]2)nn1CCNc1ncnc2nccnc21 ZINC001607135627 1018975483 /nfs/dbraw/zinc/97/54/83/1018975483.db2.gz BBQLZZVXIFEYDQ-UHFFFAOYSA-N -1 0 310.285 -0.697 20 0 DBADRM COc1cc(F)cc(F)c1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC001607170226 1018980115 /nfs/dbraw/zinc/98/01/15/1018980115.db2.gz BOZNAGHIAPSUKS-ZETCQYMHSA-N -1 0 311.262 -0.303 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@H](CC2CC2)C(=O)[O-])nn1C ZINC001607172973 1018980920 /nfs/dbraw/zinc/98/09/20/1018980920.db2.gz CCUFAHWXXZGRKQ-VIFPVBQESA-N -1 0 324.337 -0.016 20 0 DBADRM COc1cc(COCC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])ccn1 ZINC001607166066 1018981713 /nfs/dbraw/zinc/98/17/13/1018981713.db2.gz YURQDSSDTYNHQP-GHMZBOCLSA-N -1 0 310.306 -0.347 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)[nH]n1 ZINC001607174029 1018981929 /nfs/dbraw/zinc/98/19/29/1018981929.db2.gz WABJUSZENHQQNT-QMMMGPOBSA-N -1 0 310.310 -0.026 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@@H](CC2CC2)C(=O)[O-])nn1C ZINC001607172972 1018982008 /nfs/dbraw/zinc/98/20/08/1018982008.db2.gz CCUFAHWXXZGRKQ-SECBINFHSA-N -1 0 324.337 -0.016 20 0 DBADRM COc1cc(CCC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)on1 ZINC001607155326 1018982234 /nfs/dbraw/zinc/98/22/34/1018982234.db2.gz CFSNPXDCSNSHPA-UHFFFAOYSA-N -1 0 321.293 -0.011 20 0 DBADRM CS(=O)(=O)CCC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001607369600 1018993552 /nfs/dbraw/zinc/99/35/52/1018993552.db2.gz JEZSOKUEIMTNCJ-UHFFFAOYSA-N -1 0 301.324 -0.532 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001607270864 1018983014 /nfs/dbraw/zinc/98/30/14/1018983014.db2.gz UBKINXPRIPWMCH-WCBMZHEXSA-N -1 0 323.305 -0.677 20 0 DBADRM COc1ccc(CNC(=O)/C=C/C(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC001607254710 1018983588 /nfs/dbraw/zinc/98/35/88/1018983588.db2.gz BHEOUERGFHCGHQ-SYTKJHMZSA-N -1 0 322.317 -0.571 20 0 DBADRM COc1ccc(N2CCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)nc1 ZINC001607269847 1018983845 /nfs/dbraw/zinc/98/38/45/1018983845.db2.gz AOWKSWALCLJUIN-NSHDSACASA-N -1 0 322.365 -0.199 20 0 DBADRM COc1cccc(C[C@H](O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001607321075 1018983936 /nfs/dbraw/zinc/98/39/36/1018983936.db2.gz BPEWKODWLISRLX-SCRDCRAPSA-N -1 0 323.345 -0.107 20 0 DBADRM COc1ccc(F)cc1CS(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC001607266456 1018984472 /nfs/dbraw/zinc/98/44/72/1018984472.db2.gz LPVCDZYMDBLLCD-VIFPVBQESA-N -1 0 307.299 -0.301 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001607270865 1018984493 /nfs/dbraw/zinc/98/44/93/1018984493.db2.gz UBKINXPRIPWMCH-WPRPVWTQSA-N -1 0 323.305 -0.677 20 0 DBADRM COc1cccc(C[C@H](NC(=O)[C@@H]2COC(=O)N2)C(=O)[O-])c1 ZINC001607318624 1018985326 /nfs/dbraw/zinc/98/53/26/1018985326.db2.gz FSVXGQCECFACHD-QWRGUYRKSA-N -1 0 308.290 -0.085 20 0 DBADRM COc1cccc([C@H](NC(=O)[C@@H]2CC[C@H](C(N)=O)O2)C(=O)[O-])c1 ZINC001607331523 1018986056 /nfs/dbraw/zinc/98/60/56/1018986056.db2.gz WONMRCFNZHJLHE-WOPDTQHZSA-N -1 0 322.317 -0.030 20 0 DBADRM COc1cncc(CN2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001607354170 1018986339 /nfs/dbraw/zinc/98/63/39/1018986339.db2.gz JQDNLADZMHYFCQ-QWRGUYRKSA-N -1 0 306.322 -0.494 20 0 DBADRM COc1cncc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1 ZINC001607356326 1018986735 /nfs/dbraw/zinc/98/67/35/1018986735.db2.gz RMISPFAIHUPFQA-BDAKNGLRSA-N -1 0 316.335 -0.454 20 0 DBADRM COc1cncc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1C ZINC001607353625 1018988052 /nfs/dbraw/zinc/98/80/52/1018988052.db2.gz WJNZNVCFOHWLSP-SNVBAGLBSA-N -1 0 307.306 -0.234 20 0 DBADRM COc1cncc(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])c1 ZINC001607354233 1018988377 /nfs/dbraw/zinc/98/83/77/1018988377.db2.gz MQLPYNPXWVCPPY-UHFFFAOYSA-N -1 0 312.307 -0.010 20 0 DBADRM COc1cccc(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)c1F ZINC001607329576 1018988686 /nfs/dbraw/zinc/98/86/86/1018988686.db2.gz WVTDSAJMOZXLEQ-UHFFFAOYSA-N -1 0 305.283 -0.346 20 0 DBADRM COc1cnc(F)c(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC001607354658 1018988897 /nfs/dbraw/zinc/98/88/97/1018988897.db2.gz MWZSRWZFHPAOCS-VIFPVBQESA-N -1 0 311.269 -0.355 20 0 DBADRM COc1cncc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1 ZINC001607356329 1018990425 /nfs/dbraw/zinc/99/04/25/1018990425.db2.gz RMISPFAIHUPFQA-RKDXNWHRSA-N -1 0 316.335 -0.454 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(Cc2cn(CC(=O)[O-])nn2)C1 ZINC001607366467 1018990708 /nfs/dbraw/zinc/99/07/08/1018990708.db2.gz GGNAZSVCZZFUMG-JTQLQIEISA-N -1 0 302.356 -0.628 20 0 DBADRM COc1nn(C)cc1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001607362175 1018990922 /nfs/dbraw/zinc/99/09/22/1018990922.db2.gz CJOPROLHEPBNCM-VIFPVBQESA-N -1 0 310.310 -0.766 20 0 DBADRM CS(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001607366344 1018991583 /nfs/dbraw/zinc/99/15/83/1018991583.db2.gz HIVUTIVVOWDFBV-LBPRGKRZSA-N -1 0 313.331 -0.092 20 0 DBADRM CS(=O)(=O)C1CN(C(=O)CCCn2ccc(C(=O)[O-])n2)C1 ZINC001607366016 1018992032 /nfs/dbraw/zinc/99/20/32/1018992032.db2.gz AQYVESUUNAPVAX-UHFFFAOYSA-N -1 0 315.351 -0.383 20 0 DBADRM CS(=O)(=O)Cc1noc(CN[C@@H](CC(=O)[O-])C2CC2)n1 ZINC001607370751 1018992924 /nfs/dbraw/zinc/99/29/24/1018992924.db2.gz KMNSQGQFSHEPNF-QMMMGPOBSA-N -1 0 303.340 -0.043 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001607366783 1018993084 /nfs/dbraw/zinc/99/30/84/1018993084.db2.gz NTIGMOCWOMWOEA-UHFFFAOYSA-N -1 0 313.335 -0.250 20 0 DBADRM CS(=O)(=O)Cc1noc(CN[C@H](CC(=O)[O-])C2CC2)n1 ZINC001607370750 1018993526 /nfs/dbraw/zinc/99/35/26/1018993526.db2.gz KMNSQGQFSHEPNF-MRVPVSSYSA-N -1 0 303.340 -0.043 20 0 DBADRM CS(=O)(=O)CC1(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])COC1 ZINC001607366494 1018993434 /nfs/dbraw/zinc/99/34/34/1018993434.db2.gz LARYSQLWJZAFRR-SNVBAGLBSA-N -1 0 319.379 -0.335 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001607366727 1018993627 /nfs/dbraw/zinc/99/36/27/1018993627.db2.gz LVISUYKYGMMKMI-UTLUCORTSA-N -1 0 322.383 -0.666 20 0 DBADRM CS(=O)(=O)CC1(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)COC1 ZINC001607366744 1018994038 /nfs/dbraw/zinc/99/40/38/1018994038.db2.gz MRAGZGZNNLRUIQ-ZDMBXUJBSA-N -1 0 317.363 -0.583 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)c1ccsc1CC(=O)[O-] ZINC001607367772 1018994244 /nfs/dbraw/zinc/99/42/44/1018994244.db2.gz ZNMGZYLFOLMAHE-SSDOTTSWSA-N -1 0 321.376 -0.490 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001607369844 1018994336 /nfs/dbraw/zinc/99/43/36/1018994336.db2.gz FICRATWMGMSVSL-DTORHVGOSA-N -1 0 315.351 -0.023 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC001607367819 1018994392 /nfs/dbraw/zinc/99/43/92/1018994392.db2.gz RSTWZDFGPOAEQH-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(CCc2cn(CC(=O)[O-])nn2)C1 ZINC001607367270 1018994478 /nfs/dbraw/zinc/99/44/78/1018994478.db2.gz LSWWDOLCMJEZNX-NSHDSACASA-N -1 0 316.383 -0.586 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])CC1 ZINC001607366754 1018994601 /nfs/dbraw/zinc/99/46/01/1018994601.db2.gz MTUOZKMPROLZFZ-MWLCHTKSSA-N -1 0 319.379 -0.362 20 0 DBADRM CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC001607367226 1018994803 /nfs/dbraw/zinc/99/48/03/1018994803.db2.gz KSKQRBKRJGXXHY-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001607371481 1018995591 /nfs/dbraw/zinc/99/55/91/1018995591.db2.gz WFDJZMFEMMLNKB-WDEREUQCSA-N -1 0 316.379 -0.553 20 0 DBADRM CS(=O)(=O)Nc1cc(C(=O)NC[C@H](O)C(=O)[O-])ccc1F ZINC001607373566 1018996207 /nfs/dbraw/zinc/99/62/07/1018996207.db2.gz DRWDGLQWWCBYIS-VIFPVBQESA-N -1 0 320.298 -0.628 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)C1 ZINC001607375115 1018996749 /nfs/dbraw/zinc/99/67/49/1018996749.db2.gz PFNISFHGBWJSJK-HLTSFMKQSA-N -1 0 312.338 -0.034 20 0 DBADRM C[S@](=O)CCCNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001607385793 1019001308 /nfs/dbraw/zinc/00/13/08/1019001308.db2.gz VLYNQMXZXBXGGF-FQEVSTJZSA-N -1 0 300.336 -0.569 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC001607374834 1018997445 /nfs/dbraw/zinc/99/74/45/1018997445.db2.gz KJSAESUJDBIOHC-HWKANZROSA-N -1 0 314.319 -0.249 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1 ZINC001607371489 1018997767 /nfs/dbraw/zinc/99/77/67/1018997767.db2.gz WQWJTCJXZRNYGS-ZETCQYMHSA-N -1 0 312.294 -0.801 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001607384174 1018998251 /nfs/dbraw/zinc/99/82/51/1018998251.db2.gz BXOJZFUQPUIOAM-IBGZPJMESA-N -1 0 304.349 -0.121 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@@H]1C[C@@]12CCOC2)C(=O)[O-] ZINC001607377257 1019000369 /nfs/dbraw/zinc/00/03/69/1019000369.db2.gz DRHYOGFTFZJQDY-RBJBARPLSA-N -1 0 317.363 -0.583 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)co1 ZINC001607378870 1019000470 /nfs/dbraw/zinc/00/04/70/1019000470.db2.gz OQSHUJXJQKZHTG-MRVPVSSYSA-N -1 0 303.292 -0.391 20 0 DBADRM C[S@@](=O)CCCNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001607385794 1019001006 /nfs/dbraw/zinc/00/10/06/1019001006.db2.gz VLYNQMXZXBXGGF-HXUWFJFHSA-N -1 0 300.336 -0.569 20 0 DBADRM CS/C=C/C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001607393614 1019001317 /nfs/dbraw/zinc/00/13/17/1019001317.db2.gz DZDMAGHCTWWBRM-HZIBQTDNSA-N -1 0 313.335 -0.531 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001607387250 1019001646 /nfs/dbraw/zinc/00/16/46/1019001646.db2.gz FMRQGFGYRWITQX-UHFFFAOYSA-N -1 0 315.311 -0.450 20 0 DBADRM CSCC[C@@H](OC(=O)CCn1ncn(C)c1=O)C(=O)[O-] ZINC001607398785 1019003680 /nfs/dbraw/zinc/00/36/80/1019003680.db2.gz NLPMQLXGMQWEGD-MRVPVSSYSA-N -1 0 303.340 -0.279 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1ccccc1N ZINC001607416776 1019003984 /nfs/dbraw/zinc/00/39/84/1019003984.db2.gz PTRPGBXVFWJXCV-QMMMGPOBSA-N -1 0 315.351 -0.521 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1CCC(=O)N1C ZINC001607418728 1019004542 /nfs/dbraw/zinc/00/45/42/1019004542.db2.gz IGUOEBFZWZUPQI-DTWKUNHWSA-N -1 0 321.337 -0.866 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CCN(Cc2nccn2C)CC1)C(=O)[O-] ZINC001607423743 1019004809 /nfs/dbraw/zinc/00/48/09/1019004809.db2.gz CHVZPAPPVAGVRZ-MFKMUULPSA-N -1 0 324.381 -0.418 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1)C(=O)[O-] ZINC001607423963 1019005562 /nfs/dbraw/zinc/00/55/62/1019005562.db2.gz JRTFFKYYVAFFEA-UISBYWKRSA-N -1 0 309.322 -0.264 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)CS(C)(=O)=O ZINC001607419235 1019005586 /nfs/dbraw/zinc/00/55/86/1019005586.db2.gz ULIMQZPNIPZBCV-ZETCQYMHSA-N -1 0 316.339 -0.864 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)CCc1cn[nH]c1 ZINC001607418788 1019005640 /nfs/dbraw/zinc/00/56/40/1019005640.db2.gz JWHCLPZDHJNQSU-VIFPVBQESA-N -1 0 318.337 -0.131 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@]1(C)CCNC1=O ZINC001607419377 1019005737 /nfs/dbraw/zinc/00/57/37/1019005737.db2.gz YCFOOJOKMCVZIN-RMLUDKJBSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@@H](CCNC(=O)C1(C(N)=O)CC1)Nc1ccnc(C(=O)[O-])n1 ZINC001607419501 1019005959 /nfs/dbraw/zinc/00/59/59/1019005959.db2.gz ICXIZYZUEWAKCB-QMMMGPOBSA-N -1 0 321.337 -0.831 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccnn1CC1CCC1)C(=O)[O-] ZINC001607425784 1019006778 /nfs/dbraw/zinc/00/67/78/1019006778.db2.gz WRGBPBVHEDOAML-KCJUWKMLSA-N -1 0 317.367 -0.205 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)C[C@@H](C(=O)[O-])O1 ZINC001607428060 1019006377 /nfs/dbraw/zinc/00/63/77/1019006377.db2.gz HBQMNQQZULHLEH-ZIQFBCGOSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@H](O)C1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC001607428570 1019007602 /nfs/dbraw/zinc/00/76/02/1019007602.db2.gz JFDOZALYCGKDEH-CKYFFXLPSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CC[C@@H](O)CN1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001607426711 1019007617 /nfs/dbraw/zinc/00/76/17/1019007617.db2.gz VXJNDCRQHVSIPB-NXEZZACHSA-N -1 0 301.343 -0.478 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC=CO2)C[C@@H](C(=O)[O-])O1 ZINC001607428436 1019008319 /nfs/dbraw/zinc/00/83/19/1019008319.db2.gz KAGNOTCZFQWGFT-MXWKQRLJSA-N -1 0 312.322 -0.504 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C[C@@H](C(=O)[O-])O1 ZINC001607430467 1019009512 /nfs/dbraw/zinc/00/95/12/1019009512.db2.gz BFSYVILCGXSIKX-HLTSFMKQSA-N -1 0 310.310 -0.753 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCCSCC2)C[C@@H](C(=O)[O-])O1 ZINC001607429035 1019009654 /nfs/dbraw/zinc/00/96/54/1019009654.db2.gz WPYNAZACUNFFTI-ZJUUUORDSA-N -1 0 316.379 -0.348 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCN2CCCC2=O)C[C@@H](C(=O)[O-])O1 ZINC001607432584 1019009751 /nfs/dbraw/zinc/00/97/51/1019009751.db2.gz LVIITJNHUAJNSP-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])[nH]2)C[C@H]1CS(N)(=O)=O ZINC001607435627 1019010245 /nfs/dbraw/zinc/01/02/45/1019010245.db2.gz WKKBTKRCHFHKDV-SFYZADRCSA-N -1 0 315.351 -0.291 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCc3nnn(C)c3C2)C[C@@H](C(=O)[O-])O1 ZINC001607432204 1019010606 /nfs/dbraw/zinc/01/06/06/1019010606.db2.gz NRFSPOWCYDNNHW-LNLATYFQSA-N -1 0 323.353 -0.444 20 0 DBADRM C[C@@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@@H](C(=O)[O-])O1 ZINC001607430984 1019010628 /nfs/dbraw/zinc/01/06/28/1019010628.db2.gz RLEMVPFIEVIIOJ-KOLCDFICSA-N -1 0 307.306 -0.488 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCc2nnnn2C)C[C@@H](C(=O)[O-])O1 ZINC001607432575 1019011072 /nfs/dbraw/zinc/01/10/72/1019011072.db2.gz KVTQYKXGDBLRPI-BDAKNGLRSA-N -1 0 312.330 -0.974 20 0 DBADRM C[C@@H]1CN(c2nnnn2CC2=CCCOC2)C[C@@H](C(=O)[O-])O1 ZINC001607440123 1019011685 /nfs/dbraw/zinc/01/16/85/1019011685.db2.gz DAHKEJJBZJRXSE-KOLCDFICSA-N -1 0 309.326 -0.302 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCC3(CCNC3=O)CC2)O[C@H]1C(=O)[O-] ZINC001607439889 1019011721 /nfs/dbraw/zinc/01/17/21/1019011721.db2.gz ZTWCCCSQCCPNQE-GMTAPVOTSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@H]1CN(c2nnnn2CCCN2CCCC2=O)C[C@H]1C(=O)[O-] ZINC001607441521 1019011856 /nfs/dbraw/zinc/01/18/56/1019011856.db2.gz VXDHUAJBAKOWEA-GHMZBOCLSA-N -1 0 322.369 -0.158 20 0 DBADRM C[C@@H]1C[C@H](CO)CCN1C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001607447414 1019012412 /nfs/dbraw/zinc/01/24/12/1019012412.db2.gz XRHUKTSKLPCODV-RKDXNWHRSA-N -1 0 324.337 -0.324 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN(CC(C)(C)O)CC2)O[C@H]1C(=O)[O-] ZINC001607440963 1019012518 /nfs/dbraw/zinc/01/25/18/1019012518.db2.gz DBMKOMKTJGWXQM-IJLUTSLNSA-N -1 0 314.382 -0.220 20 0 DBADRM C[C@@H]1CN(c2nnc(Cc3cc[nH]n3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001607441200 1019012839 /nfs/dbraw/zinc/01/28/39/1019012839.db2.gz OPMYVEMVBVPYQH-SCZZXKLOSA-N -1 0 306.326 -0.193 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)O[C@H]1C(=O)[O-] ZINC001607440851 1019013181 /nfs/dbraw/zinc/01/31/81/1019013181.db2.gz AOZJDICDNMVDKH-OPRDCNLKSA-N -1 0 319.379 -0.100 20 0 DBADRM C[C@@]1(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)CCC(=O)N1 ZINC001607447894 1019014024 /nfs/dbraw/zinc/01/40/24/1019014024.db2.gz BRHWMYDTCFJQTP-ZDUSSCGKSA-N -1 0 309.322 -0.123 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CCCc2n[nH]nc21)C(=O)[O-] ZINC001607458714 1019014264 /nfs/dbraw/zinc/01/42/64/1019014264.db2.gz PJMBTERAVVUITQ-FXQIFTODSA-N -1 0 309.326 -0.681 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)Cc1cc[nH]n1 ZINC001607453387 1019014847 /nfs/dbraw/zinc/01/48/47/1019014847.db2.gz BTVODEAKSXMNHE-MRVPVSSYSA-N -1 0 304.310 -0.521 20 0 DBADRM C[C@]12CN(CC(N)=O)C[C@@]1(C)CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C2 ZINC001607448918 1019014881 /nfs/dbraw/zinc/01/48/81/1019014881.db2.gz BGWYHSCBLVTVCQ-WVGQAWGZSA-N -1 0 309.366 -0.637 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)CCCC(N)=O ZINC001607453379 1019015225 /nfs/dbraw/zinc/01/52/25/1019015225.db2.gz BFRXEFAAEHGKOU-MRVPVSSYSA-N -1 0 309.326 -0.831 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1cccnc1 ZINC001607451408 1019015257 /nfs/dbraw/zinc/01/52/57/1019015257.db2.gz WYIGNQAYLZXRCB-MRVPVSSYSA-N -1 0 301.324 -0.709 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(Cl)nn1)C(=O)[O-] ZINC001607458252 1019015653 /nfs/dbraw/zinc/01/56/53/1019015653.db2.gz FCAVICCGIADNKP-WDSKDSINSA-N -1 0 300.702 -0.162 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)C(=O)N(C)C ZINC001607454924 1019015675 /nfs/dbraw/zinc/01/56/75/1019015675.db2.gz LRJDCPGGHQGHMX-VIFPVBQESA-N -1 0 321.333 -0.155 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@]1(C)CCNC1=O ZINC001607453479 1019016495 /nfs/dbraw/zinc/01/64/95/1019016495.db2.gz FRLRSDKKCAAAIU-CLAHSXSESA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@H](O)C1CCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)CC1 ZINC001607462189 1019017305 /nfs/dbraw/zinc/01/73/05/1019017305.db2.gz RVTIYSXRXFULFZ-BMQDGWLCSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@](F)(CO)C2)CC[C@H]1C(=O)[O-] ZINC001607466672 1019017808 /nfs/dbraw/zinc/01/78/08/1019017808.db2.gz JJGYDLTWTBXBQR-IMSIIYSGSA-N -1 0 316.329 -0.512 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)CCCn2ccc(C(=O)[O-])n2)CC1 ZINC001607461962 1019018319 /nfs/dbraw/zinc/01/83/19/1019018319.db2.gz GGSMXVDHSGJLOC-LBPRGKRZSA-N -1 0 324.381 -0.114 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)Nc2c(C(=O)[O-])cnn2C)CC1 ZINC001607462227 1019018426 /nfs/dbraw/zinc/01/84/26/1019018426.db2.gz VTYFXNLHEQBBGU-VIFPVBQESA-N -1 0 311.342 -0.351 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)C[C@H]1CCCOC1)C(=O)[O-] ZINC001607459933 1019018733 /nfs/dbraw/zinc/01/87/33/1019018733.db2.gz NSGBCZAKTSVWKV-GUBZILKMSA-N -1 0 322.383 -0.690 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=S)NCC(F)(F)F)C(=O)[O-] ZINC001607459726 1019018817 /nfs/dbraw/zinc/01/88/17/1019018817.db2.gz JEOMWGVUTVKGGJ-WHFBIAKZSA-N -1 0 301.290 -0.009 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccoc2)C[C@@H](C(=O)[O-])O1 ZINC001607466986 1019018941 /nfs/dbraw/zinc/01/89/41/1019018941.db2.gz PQDPEWBAKFLSQB-ONGXEEELSA-N -1 0 310.306 -0.062 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)COCC(F)(F)F)C(=O)[O-] ZINC001607459354 1019019370 /nfs/dbraw/zinc/01/93/70/1019019370.db2.gz ZZINWSNPJARFCS-WDSKDSINSA-N -1 0 300.233 -0.341 20 0 DBADRM C[C@H]1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@]1(C)C(=O)[O-] ZINC001607470734 1019019961 /nfs/dbraw/zinc/01/99/61/1019019961.db2.gz NTLKXIBRGONUKQ-SBMIAAHKSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@H]1CN(C(=O)C2CN(S(C)(=O)=O)C2)C[C@]1(C)C(=O)[O-] ZINC001607467999 1019020198 /nfs/dbraw/zinc/02/01/98/1019020198.db2.gz BPBCXKWQQRISAM-UFBFGSQYSA-N -1 0 304.368 -0.553 20 0 DBADRM C[C@H]1CN(C(=O)NCC[C@@H]2CC(=O)N(C)C2)C[C@@H](C(=O)[O-])O1 ZINC001607469892 1019020598 /nfs/dbraw/zinc/02/05/98/1019020598.db2.gz FUQLZFGZVIQHRW-AXFHLTTASA-N -1 0 313.354 -0.262 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC(F)(F)C2)C[C@@H](C(=O)[O-])O1 ZINC001607467888 1019020969 /nfs/dbraw/zinc/02/09/69/1019020969.db2.gz OHFMAPFFMNVUDZ-YIZRAAEISA-N -1 0 320.292 -0.009 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@@]2(C)CC2(F)F)C[C@@H](C(=O)[O-])O1 ZINC001607467580 1019021296 /nfs/dbraw/zinc/02/12/96/1019021296.db2.gz AYBJKYSKKMUTOK-YVZVNANGSA-N -1 0 320.292 -0.152 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607483708 1019021838 /nfs/dbraw/zinc/02/18/38/1019021838.db2.gz GUDGWGGUNFJCRS-BDAKNGLRSA-N -1 0 322.321 -0.667 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607483711 1019022164 /nfs/dbraw/zinc/02/21/64/1019022164.db2.gz GUDGWGGUNFJCRS-RKDXNWHRSA-N -1 0 322.321 -0.667 20 0 DBADRM C[C@H]1CN(c2nnnn2CCC(=O)N(C)C)C[C@]1(C)C(=O)[O-] ZINC001607479536 1019022995 /nfs/dbraw/zinc/02/29/95/1019022995.db2.gz PYXRYESIBYHGKG-ZANVPECISA-N -1 0 310.358 -0.302 20 0 DBADRM C[C@H]1C[C@@H](O)CN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001607480258 1019023038 /nfs/dbraw/zinc/02/30/38/1019023038.db2.gz UKRMJONIUHMHNB-VHSXEESVSA-N -1 0 301.343 -0.620 20 0 DBADRM C[C@H]1CN(c2nnc([C@@H]3CNC(=O)C3)n2C)C[C@]1(C)C(=O)[O-] ZINC001607481513 1019023672 /nfs/dbraw/zinc/02/36/72/1019023672.db2.gz ZKWIKPOYNANKEA-FZNYLWTLSA-N -1 0 307.354 -0.034 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2c[nH]nc2Cl)C[C@@H](C(=O)[O-])O1 ZINC001607478948 1019023886 /nfs/dbraw/zinc/02/38/86/1019023886.db2.gz HCAISUVYAQJHJO-WDSKDSINSA-N -1 0 309.731 -0.074 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)C[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001607479874 1019024305 /nfs/dbraw/zinc/02/43/05/1019024305.db2.gz KDCTZRGECFNFLL-AEJSXWLSSA-N -1 0 308.338 -0.516 20 0 DBADRM Cc1c(C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cnn1C ZINC001607508177 1019025282 /nfs/dbraw/zinc/02/52/82/1019025282.db2.gz JISJFXSIOFRXCZ-VHSXEESVSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)CN2CC(=O)N(C)C2=O)n1C ZINC001607513233 1019025540 /nfs/dbraw/zinc/02/55/40/1019025540.db2.gz OUPPZLRKWQVDBQ-UHFFFAOYSA-N -1 0 322.321 -0.458 20 0 DBADRM Cc1c(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cnn1C ZINC001607508869 1019025713 /nfs/dbraw/zinc/02/57/13/1019025713.db2.gz ZBUFKJAEYAMALD-QWRGUYRKSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1c(C(=O)NC[C@H](O)C(=O)[O-])nnn1Cc1ccc(F)cc1 ZINC001607509277 1019026109 /nfs/dbraw/zinc/02/61/09/1019026109.db2.gz NHGXDHAZIMZPAI-NSHDSACASA-N -1 0 322.296 -0.051 20 0 DBADRM Cc1c(C(=O)NCC(=O)NCC(=O)[O-])cnn1C1CCOCC1 ZINC001607508417 1019026182 /nfs/dbraw/zinc/02/61/82/1019026182.db2.gz SAWBATKWMNYFGG-UHFFFAOYSA-N -1 0 324.337 -0.526 20 0 DBADRM Cc1c(Br)cnn1CC(=O)NC[C@H](O)C(=O)[O-] ZINC001607504087 1019026505 /nfs/dbraw/zinc/02/65/05/1019026505.db2.gz BTUNHYUIBFHTIX-ZETCQYMHSA-N -1 0 306.116 -0.484 20 0 DBADRM Cc1c(C(=O)[O-])cc(CN2CCN3C(=O)NC(=O)[C@H]3C2)n1C ZINC001607512119 1019026690 /nfs/dbraw/zinc/02/66/90/1019026690.db2.gz SPPNEECAHOSJDB-LLVKDONJSA-N -1 0 306.322 -0.232 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCCO[C@@H](C)C2)cnn1CC(=O)[O-] ZINC001607535491 1019030094 /nfs/dbraw/zinc/03/00/94/1019030094.db2.gz RPDPOLOFIITKIU-VIFPVBQESA-N -1 0 324.337 -0.148 20 0 DBADRM Cc1cc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c(C)n1NC(N)=O ZINC001607569797 1019031314 /nfs/dbraw/zinc/03/13/14/1019031314.db2.gz QMHBVRFHSLHAIC-ZJUUUORDSA-N -1 0 324.337 -0.365 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n(C)n1 ZINC001607572403 1019031791 /nfs/dbraw/zinc/03/17/91/1019031791.db2.gz SIBYKLKZWJRWAB-SECBINFHSA-N -1 0 301.324 -0.948 20 0 DBADRM Cc1cc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)ncn1 ZINC001607572261 1019031834 /nfs/dbraw/zinc/03/18/34/1019031834.db2.gz ZSZWBFWIJMUAIQ-OAHLLOKOSA-N -1 0 320.349 -0.213 20 0 DBADRM Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)on1 ZINC001607569482 1019032439 /nfs/dbraw/zinc/03/24/39/1019032439.db2.gz IQTYJCKUBFABPO-BDAKNGLRSA-N -1 0 323.305 -0.993 20 0 DBADRM Cc1cc(=O)[nH]cc1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607561811 1019032506 /nfs/dbraw/zinc/03/25/06/1019032506.db2.gz MYXMEJWNQBHRSL-UWVGGRQHSA-N -1 0 319.317 -0.243 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cnc1F ZINC001607572137 1019032636 /nfs/dbraw/zinc/03/26/36/1019032636.db2.gz DEANBTLCYCTUAM-SECBINFHSA-N -1 0 316.310 -0.147 20 0 DBADRM Cc1cc([C@@H](NC(=O)CCNC(=O)CO)C(=O)[O-])ccc1F ZINC001607611910 1019033588 /nfs/dbraw/zinc/03/35/88/1019033588.db2.gz SSQRKSDCSZJYJN-CYBMUJFWSA-N -1 0 312.297 -0.125 20 0 DBADRM Cc1cc(CNC(=O)Cn2ccc(=O)n(C)c2=O)oc1C(=O)[O-] ZINC001607642600 1019033848 /nfs/dbraw/zinc/03/38/48/1019033848.db2.gz UNYYYUIAINJFPY-UHFFFAOYSA-N -1 0 321.289 -0.537 20 0 DBADRM Cc1cc(C)c(CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c(=O)[nH]1 ZINC001607620057 1019034281 /nfs/dbraw/zinc/03/42/81/1019034281.db2.gz GEPUGUHULRSKTM-LLVKDONJSA-N -1 0 321.333 -0.252 20 0 DBADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC001607589862 1019034803 /nfs/dbraw/zinc/03/48/03/1019034803.db2.gz QKCCQQIFKRVYCH-GHMZBOCLSA-N -1 0 313.331 -0.419 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2CCO[C@H](CS(C)(=O)=O)C2)n1 ZINC001607601153 1019034843 /nfs/dbraw/zinc/03/48/43/1019034843.db2.gz JRBLSJKXLDDTPS-VIFPVBQESA-N -1 0 315.351 -0.267 20 0 DBADRM Cc1cc(CC(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n(C)n1 ZINC001607635973 1019035172 /nfs/dbraw/zinc/03/51/72/1019035172.db2.gz JGJGLGQHPQHQLD-RYUDHWBXSA-N -1 0 320.349 -0.681 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)NCC(=O)N1CCN(C)CC1 ZINC001607604096 1019035367 /nfs/dbraw/zinc/03/53/67/1019035367.db2.gz QLTIKFJBLZUYPA-UHFFFAOYSA-N -1 0 309.322 -0.210 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC(=O)NC(C)C)c(C(=O)[O-])[nH]1 ZINC001607672206 1019036476 /nfs/dbraw/zinc/03/64/76/1019036476.db2.gz HRLAIDPXVHXGES-UHFFFAOYSA-N -1 0 310.310 -0.399 20 0 DBADRM CN(CCCN(C)C(=O)[C@@]1(C)CCNC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001502373631 1019037205 /nfs/dbraw/zinc/03/72/05/1019037205.db2.gz RKRDGQNHOZNGEO-AWEZNQCLSA-N -1 0 324.385 -0.683 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H](C)C[S@](C)=O)c(C(=O)[O-])[nH]1 ZINC001607670751 1019037294 /nfs/dbraw/zinc/03/72/94/1019037294.db2.gz ONIPBZCSFMDEAV-QFWYVNQISA-N -1 0 315.351 -0.157 20 0 DBADRM Cc1cc(Cc2nnc(N3CCO[C@@H](C(=O)[O-])C3)n2C)n[nH]1 ZINC001607654095 1019037564 /nfs/dbraw/zinc/03/75/64/1019037564.db2.gz ZEQAWUQBDGJKII-SNVBAGLBSA-N -1 0 306.326 -0.273 20 0 DBADRM Cc1cc(N(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n2ncnc2n1 ZINC001607669266 1019038043 /nfs/dbraw/zinc/03/80/43/1019038043.db2.gz KHDQRTMCNNDHLJ-NXEZZACHSA-N -1 0 318.337 -0.294 20 0 DBADRM Cc1cc(COCC(=O)NCCC(=O)NCCC(=O)[O-])no1 ZINC001607650872 1019038445 /nfs/dbraw/zinc/03/84/45/1019038445.db2.gz KEFNEEFLXXAMEZ-UHFFFAOYSA-N -1 0 313.310 -0.403 20 0 DBADRM Cc1ccc(C(=O)N[C@H](C)CNc2ccnc(C(=O)[O-])n2)nn1 ZINC001607733775 1019039168 /nfs/dbraw/zinc/03/91/68/1019039168.db2.gz YARYGGAEUGGUPS-SECBINFHSA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@H](C)/C=C/C(=O)[O-] ZINC001607710690 1019039467 /nfs/dbraw/zinc/03/94/67/1019039467.db2.gz RCZUOPZCOLXYPK-KGGZQZJCSA-N -1 0 302.308 -0.005 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001607699813 1019039622 /nfs/dbraw/zinc/03/96/22/1019039622.db2.gz NMEJMJLIGQOVAW-UHFFFAOYSA-N -1 0 324.333 -0.406 20 0 DBADRM Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H](CF)C(=O)[O-] ZINC001607710127 1019039670 /nfs/dbraw/zinc/03/96/70/1019039670.db2.gz FUZBMCUPFCATOE-RXMQYKEDSA-N -1 0 310.328 -0.144 20 0 DBADRM Cc1ccc(CCC(=O)NCC(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC001607774492 1019041905 /nfs/dbraw/zinc/04/19/05/1019041905.db2.gz XPWHUIRMPPMXDO-LBPRGKRZSA-N -1 0 308.334 -0.394 20 0 DBADRM Cc1cccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c1C(=O)[O-] ZINC001607863227 1019042091 /nfs/dbraw/zinc/04/20/91/1019042091.db2.gz QSZWZVZVKNWMAA-RKDXNWHRSA-N -1 0 301.320 -0.269 20 0 DBADRM Cc1cccc(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)n1 ZINC001607850956 1019042462 /nfs/dbraw/zinc/04/24/62/1019042462.db2.gz UXYATFSXQUVKRG-PWSUYJOCSA-N -1 0 321.333 -0.700 20 0 DBADRM Cc1ccc(S(=O)(=O)CCC(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC001607815040 1019042480 /nfs/dbraw/zinc/04/24/80/1019042480.db2.gz DCNNJKPZPKPZOB-LLVKDONJSA-N -1 0 315.347 -0.279 20 0 DBADRM Cc1ccc(N2CCN3[C@@H](CNS3(=O)=O)C2)nc1C(=O)[O-] ZINC001607795037 1019042895 /nfs/dbraw/zinc/04/28/95/1019042895.db2.gz WPDPTRWYZYWGFA-VIFPVBQESA-N -1 0 312.351 -0.573 20 0 DBADRM Cc1cccc2nc(CNC(=O)N3CC(O)(C(=O)[O-])C3)cn21 ZINC001607868752 1019043713 /nfs/dbraw/zinc/04/37/13/1019043713.db2.gz YZGHQODQZJJMTB-UHFFFAOYSA-N -1 0 304.306 -0.016 20 0 DBADRM Cc1ccc(CCC(=O)NCC(=O)N[C@@](C)(CO)C(=O)[O-])cc1 ZINC001607774247 1019043779 /nfs/dbraw/zinc/04/37/79/1019043779.db2.gz CDVCDWUYQGHAEF-INIZCTEOSA-N -1 0 322.361 -0.004 20 0 DBADRM Cc1cn2nc(C(=O)Nc3ccn(CC(=O)[O-])n3)cc2c(=O)[nH]1 ZINC001607902872 1019044889 /nfs/dbraw/zinc/04/48/89/1019044889.db2.gz HNGWVZAGDXUTEY-UHFFFAOYSA-N -1 0 316.277 -0.136 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)NCC[C@H](O)C(=O)[O-])c2=O ZINC001607892298 1019044928 /nfs/dbraw/zinc/04/49/28/1019044928.db2.gz VDSXLYYOUFHKHM-JTQLQIEISA-N -1 0 305.290 -0.432 20 0 DBADRM Cc1ccnc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001607893574 1019045237 /nfs/dbraw/zinc/04/52/37/1019045237.db2.gz SBAFAQUSAJXNHO-NXEZZACHSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1cn2ccnc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c2n1 ZINC001607903279 1019045653 /nfs/dbraw/zinc/04/56/53/1019045653.db2.gz RSCNXYQUQMDMQJ-IUCAKERBSA-N -1 0 319.321 -0.255 20 0 DBADRM Cc1ccnc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001607893576 1019045828 /nfs/dbraw/zinc/04/58/28/1019045828.db2.gz SBAFAQUSAJXNHO-VHSXEESVSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1cn(C)nc1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607901122 1019046556 /nfs/dbraw/zinc/04/65/56/1019046556.db2.gz KOGPAHKVYFIDMU-WDEREUQCSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cncc(CNC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1 ZINC001607909736 1019047359 /nfs/dbraw/zinc/04/73/59/1019047359.db2.gz LYQONDLIRPKATK-VXGBXAGGSA-N -1 0 321.333 -0.700 20 0 DBADRM Cc1cnc2c(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cnn2c1 ZINC001607910341 1019048277 /nfs/dbraw/zinc/04/82/77/1019048277.db2.gz NIHNTZPTYKCJTE-IUCAKERBSA-N -1 0 319.321 -0.255 20 0 DBADRM Cc1cnc(C)c(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1 ZINC001607906099 1019048666 /nfs/dbraw/zinc/04/86/66/1019048666.db2.gz UENQAWRTYNBCKV-MNOVXSKESA-N -1 0 321.333 -0.069 20 0 DBADRM Cc1cncc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1 ZINC001607911929 1019049621 /nfs/dbraw/zinc/04/96/21/1019049621.db2.gz YBBKFCLZDXSXTI-WDEREUQCSA-N -1 0 300.336 -0.011 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001607909852 1019049636 /nfs/dbraw/zinc/04/96/36/1019049636.db2.gz MSHRFEOWTFMIHI-KLPPZKSPSA-N -1 0 320.349 -0.235 20 0 DBADRM Cc1cnc(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001607905875 1019049692 /nfs/dbraw/zinc/04/96/92/1019049692.db2.gz VQBFYHOAYXBMCA-WDEREUQCSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1conc1CS(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001607922890 1019050498 /nfs/dbraw/zinc/05/04/98/1019050498.db2.gz OJMPCZGDJNPOCU-DTWKUNHWSA-N -1 0 304.324 -0.420 20 0 DBADRM Cc1cnn(Cc2cc(C(=O)N3CC[C@@](O)(C(=O)[O-])C3)no2)c1 ZINC001607918336 1019050813 /nfs/dbraw/zinc/05/08/13/1019050813.db2.gz OUUXMTQRDDIGHU-AWEZNQCLSA-N -1 0 320.305 -0.111 20 0 DBADRM Cc1nnc(CC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)[nH]1 ZINC001607936294 1019051126 /nfs/dbraw/zinc/05/11/26/1019051126.db2.gz AUMUEQWGTAHCFB-MRVPVSSYSA-N -1 0 305.298 -0.581 20 0 DBADRM Cc1cnn(Cc2cc(C(=O)N3CC[C@](O)(C(=O)[O-])C3)no2)c1 ZINC001607918337 1019051606 /nfs/dbraw/zinc/05/16/06/1019051606.db2.gz OUUXMTQRDDIGHU-CQSZACIVSA-N -1 0 320.305 -0.111 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCC[C@@]2(O)CCOC2)c1C(=O)[O-] ZINC001607937697 1019052998 /nfs/dbraw/zinc/05/29/98/1019052998.db2.gz DEHJRIFFPGEUNC-LLVKDONJSA-N -1 0 319.339 -0.764 20 0 DBADRM Cc1nc(CS(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)no1 ZINC001607959921 1019053419 /nfs/dbraw/zinc/05/34/19/1019053419.db2.gz LWRYMOGRDLYLGU-SVRRBLITSA-N -1 0 305.312 -0.618 20 0 DBADRM Cc1nnc([C@H]2CCN(S(=O)(=O)N(C)CCC(=O)[O-])C2)[nH]1 ZINC001607952742 1019053563 /nfs/dbraw/zinc/05/35/63/1019053563.db2.gz WMCIVEQUUYWZNL-VIFPVBQESA-N -1 0 317.371 -0.446 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607940731 1019053783 /nfs/dbraw/zinc/05/37/83/1019053783.db2.gz JCMBIVSMNNEMMA-UTINFBMNSA-N -1 0 321.337 -0.542 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCC2(CO)CCC2)c1C(=O)[O-] ZINC001607940201 1019053917 /nfs/dbraw/zinc/05/39/17/1019053917.db2.gz MYQIBBGQNRPTQY-UHFFFAOYSA-N -1 0 303.340 -0.143 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001607941154 1019053949 /nfs/dbraw/zinc/05/39/49/1019053949.db2.gz QJXLOZKYKAJGBI-UHFFFAOYSA-N -1 0 317.309 -0.436 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607940725 1019054224 /nfs/dbraw/zinc/05/42/24/1019054224.db2.gz JCMBIVSMNNEMMA-JXUBOQSCSA-N -1 0 321.337 -0.542 20 0 DBADRM Cc1nc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c(=O)[nH]c1C ZINC001607945463 1019054678 /nfs/dbraw/zinc/05/46/78/1019054678.db2.gz SQYKYQLNFRTDKG-YUMQZZPRSA-N -1 0 310.310 -0.906 20 0 DBADRM Cc1nc([C@H](C)NS(=O)(=O)c2cnn(CC(=O)[O-])c2)no1 ZINC001607949539 1019054867 /nfs/dbraw/zinc/05/48/67/1019054867.db2.gz UIYUSSRGGOHZOR-LURJTMIESA-N -1 0 315.311 -0.301 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001607941021 1019056265 /nfs/dbraw/zinc/05/62/65/1019056265.db2.gz NGPUOYQLRIUXSM-LURJTMIESA-N -1 0 305.298 -0.746 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)s1 ZINC001607983184 1019056869 /nfs/dbraw/zinc/05/68/69/1019056869.db2.gz OUDOGMMXBXEAFZ-UHFFFAOYSA-N -1 0 313.335 -0.172 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cn1C ZINC001607968086 1019057061 /nfs/dbraw/zinc/05/70/61/1019057061.db2.gz VJIMWTSDDBWTPG-NSHDSACASA-N -1 0 317.367 -0.425 20 0 DBADRM Cc1ncc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c(N)n1 ZINC001607975453 1019057948 /nfs/dbraw/zinc/05/79/48/1019057948.db2.gz AMIMSCMHLNFZST-UHFFFAOYSA-N -1 0 323.353 -0.774 20 0 DBADRM Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@H](O)C(=O)[O-] ZINC001607973264 1019058006 /nfs/dbraw/zinc/05/80/06/1019058006.db2.gz IBOUBTGYCRZLRS-NSHDSACASA-N -1 0 305.290 -0.733 20 0 DBADRM Cc1nc2ccc(NC(=O)C(=O)NCC3(C(=O)[O-])CC3)cn2n1 ZINC001607974082 1019058661 /nfs/dbraw/zinc/05/86/61/1019058661.db2.gz AVLZERAKUDAPSB-UHFFFAOYSA-N -1 0 317.305 -0.043 20 0 DBADRM Cc1ncncc1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001607991394 1019060166 /nfs/dbraw/zinc/06/01/66/1019060166.db2.gz YUSBIMDZROVKDK-VIFPVBQESA-N -1 0 313.335 -0.501 20 0 DBADRM Cc1nccc(C(=O)N2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001607987983 1019060626 /nfs/dbraw/zinc/06/06/26/1019060626.db2.gz VSGBQFDEESOHLD-QWRGUYRKSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1nccc(N2CCN(Cn3cc(C(=O)[O-])nn3)CC2)n1 ZINC001607988168 1019060728 /nfs/dbraw/zinc/06/07/28/1019060728.db2.gz FZYFATOTQCBXKA-UHFFFAOYSA-N -1 0 303.326 -0.146 20 0 DBADRM Cc1nccn1CCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001607989959 1019060990 /nfs/dbraw/zinc/06/09/90/1019060990.db2.gz ZSGGQRFJVNSIRW-NSHDSACASA-N -1 0 324.337 -0.990 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)NC[C@H](C)C(=O)[O-] ZINC001607984895 1019061326 /nfs/dbraw/zinc/06/13/26/1019061326.db2.gz ODFBQKDWFIKASQ-LURJTMIESA-N -1 0 301.324 -0.512 20 0 DBADRM Cc1nccc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001607986998 1019061590 /nfs/dbraw/zinc/06/15/90/1019061590.db2.gz DQJVBYDXXOORLA-NXEZZACHSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1ncncc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607991082 1019061665 /nfs/dbraw/zinc/06/16/65/1019061665.db2.gz USKXEMRPWPAUFY-MNOVXSKESA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1nn(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c(=O)o1 ZINC001608010938 1019062702 /nfs/dbraw/zinc/06/27/02/1019062702.db2.gz AQAQJSZJEQDKRD-VIFPVBQESA-N -1 0 308.298 -0.271 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@@H](C(=O)NC[C@H](O)CC(=O)[O-])C1 ZINC001608004926 1019062797 /nfs/dbraw/zinc/06/27/97/1019062797.db2.gz KCCURQJCVXRRHE-LDYMZIIASA-N -1 0 310.310 -0.827 20 0 DBADRM Cc1nn(CC(=O)N2CCSC[C@H]2CC(=O)[O-])c(=O)o1 ZINC001608004863 1019063325 /nfs/dbraw/zinc/06/33/25/1019063325.db2.gz DFNBCKXZARGUNM-MRVPVSSYSA-N -1 0 301.324 -0.437 20 0 DBADRM Cc1nn(CC(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)c(=O)o1 ZINC001608005163 1019064077 /nfs/dbraw/zinc/06/40/77/1019064077.db2.gz ZGEYCRXDWUEJKU-LLVKDONJSA-N -1 0 307.262 -0.208 20 0 DBADRM Cc1nc(SCCC(=O)NC2(C(=O)[O-])CC(CO)C2)n[nH]1 ZINC001608017321 1019065741 /nfs/dbraw/zinc/06/57/41/1019065741.db2.gz SWUWHWOSMRDWAE-UHFFFAOYSA-N -1 0 314.367 -0.063 20 0 DBADRM Cc1nnc(CC(=O)N[C@@H](C)CNc2ccnc(C(=O)[O-])n2)o1 ZINC001608013341 1019065858 /nfs/dbraw/zinc/06/58/58/1019065858.db2.gz KDQRUCFZABKSRK-ZETCQYMHSA-N -1 0 320.309 -0.553 20 0 DBADRM Cc1nnccc1C(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001608018008 1019065970 /nfs/dbraw/zinc/06/59/70/1019065970.db2.gz ORQMLOHYZOCSKM-MRVPVSSYSA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1nnc(N2CCN(Cc3cnc(C(=O)[O-])cn3)CC2)n1C ZINC001608014235 1019066313 /nfs/dbraw/zinc/06/63/13/1019066313.db2.gz DBVNUBYGEASSSY-UHFFFAOYSA-N -1 0 317.353 -0.066 20 0 DBADRM Cc1nnccc1C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608018176 1019066944 /nfs/dbraw/zinc/06/69/44/1019066944.db2.gz SGWBHBLGAFUVFS-WDEREUQCSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1nnc(N2CCN(CCC(=O)NCC(=O)[O-])CC2)s1 ZINC001608015376 1019067432 /nfs/dbraw/zinc/06/74/32/1019067432.db2.gz KZMBEDDAFZHHAL-UHFFFAOYSA-N -1 0 313.383 -0.441 20 0 DBADRM Cc1nonc1CC(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001608030846 1019068720 /nfs/dbraw/zinc/06/87/20/1019068720.db2.gz IMYFSUGJZQKCTB-UHFFFAOYSA-N -1 0 306.282 -0.941 20 0 DBADRM Cc1oc(S(=O)(=O)N2CC(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC001608054074 1019069173 /nfs/dbraw/zinc/06/91/73/1019069173.db2.gz YGTDZICDCUUMEC-UHFFFAOYSA-N -1 0 323.348 -0.296 20 0 DBADRM Cc1nonc1C(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001608030821 1019069249 /nfs/dbraw/zinc/06/92/49/1019069249.db2.gz GXWQGDQFOMSSHU-ZCFIWIBFSA-N -1 0 306.282 -0.481 20 0 DBADRM Cc1oc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)cc1S(C)(=O)=O ZINC001608032248 1019069315 /nfs/dbraw/zinc/06/93/15/1019069315.db2.gz UVLZMWYPAJHZHG-OGXFKERWSA-N -1 0 317.319 -0.301 20 0 DBADRM Cc1noc([C@H]2OCC[C@H]2NC(=O)Cn2cc(C(=O)[O-])nn2)n1 ZINC001608028909 1019069954 /nfs/dbraw/zinc/06/99/54/1019069954.db2.gz JRYVLDPQUWJEPM-XCBNKYQSSA-N -1 0 322.281 -0.686 20 0 DBADRM Cc1nonc1CC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001608031240 1019069994 /nfs/dbraw/zinc/06/99/94/1019069994.db2.gz MUTQXBMONLNGMD-UHFFFAOYSA-N -1 0 317.323 -0.931 20 0 DBADRM Cc1noc(Cl)c1CCC(=O)NCC(=O)NCC(=O)[O-] ZINC001608026839 1019070720 /nfs/dbraw/zinc/07/07/20/1019070720.db2.gz BQWBVVLBTYXWIJ-UHFFFAOYSA-N -1 0 303.702 -0.114 20 0 DBADRM Cc1noc([C@@H]2OCC[C@@H]2NS(=O)(=O)C[C@H](C)C(=O)[O-])n1 ZINC001608029449 1019070977 /nfs/dbraw/zinc/07/09/77/1019070977.db2.gz VAGOQJWXHCCHCU-CNUIFLNQSA-N -1 0 319.339 -0.152 20 0 DBADRM Cc1oc(S(=O)(=O)N[C@@]2(C(N)=O)CCOC2)cc1C(=O)[O-] ZINC001608057142 1019071886 /nfs/dbraw/zinc/07/18/86/1019071886.db2.gz WRTMKAQKLALYGU-NSHDSACASA-N -1 0 318.307 -0.791 20 0 DBADRM Cc1sc(S(N)(=O)=O)cc1C(=O)N[C@H](CF)C(=O)[O-] ZINC001608074680 1019072013 /nfs/dbraw/zinc/07/20/13/1019072013.db2.gz SIVKGXKZRXVKHL-ZCFIWIBFSA-N -1 0 310.328 -0.144 20 0 DBADRM Cc1oc(S(=O)(=O)N[C@]2(C(N)=O)CCOC2)cc1C(=O)[O-] ZINC001608057141 1019072687 /nfs/dbraw/zinc/07/26/87/1019072687.db2.gz WRTMKAQKLALYGU-LLVKDONJSA-N -1 0 318.307 -0.791 20 0 DBADRM Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H](CO)C(=O)[O-] ZINC001608073434 1019072771 /nfs/dbraw/zinc/07/27/71/1019072771.db2.gz GJXVLQIWTCQDIZ-VIFPVBQESA-N -1 0 320.305 -0.273 20 0 DBADRM Cn1c(=O)cc(Cn2cc(C(=O)[O-])nc2C2CC2)n(C)c1=O ZINC001608090693 1019074605 /nfs/dbraw/zinc/07/46/05/1019074605.db2.gz ACKRRGMQTZKYDL-UHFFFAOYSA-N -1 0 304.306 -0.096 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001608082544 1019075537 /nfs/dbraw/zinc/07/55/37/1019075537.db2.gz OTFUXKXMQCYFMM-UHFFFAOYSA-N -1 0 315.351 -0.656 20 0 DBADRM Cn1c(=O)cccc1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001608081894 1019075683 /nfs/dbraw/zinc/07/56/83/1019075683.db2.gz VTCGJMRNHJEWHM-UHFFFAOYSA-N -1 0 317.305 -0.863 20 0 DBADRM Cn1c(N2CC[C@](F)(C(=O)[O-])C2)nnc1[C@]1(C)CNC(=O)C1 ZINC001608090711 1019076274 /nfs/dbraw/zinc/07/62/74/1019076274.db2.gz ANJUPIJZNXRSAZ-QWHCGFSZSA-N -1 0 311.317 -0.404 20 0 DBADRM Cn1c(CNCc2nnc3n2CCNC3=O)ccc1C(=O)[O-] ZINC001608088564 1019076816 /nfs/dbraw/zinc/07/68/16/1019076816.db2.gz VIAKRYGTXBZCPA-UHFFFAOYSA-N -1 0 304.310 -0.652 20 0 DBADRM Cn1cc(C(=O)CCC(=O)NC[C@@]2(C(=O)[O-])CCOC2)cn1 ZINC001608096644 1019076990 /nfs/dbraw/zinc/07/69/90/1019076990.db2.gz HXUCMAMTIWSGCM-AWEZNQCLSA-N -1 0 309.322 -0.010 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)N(CC(=O)[O-])C1CC1)c2=O ZINC001608096611 1019077138 /nfs/dbraw/zinc/07/71/38/1019077138.db2.gz GIBIBECMASTNCU-UHFFFAOYSA-N -1 0 304.306 -0.039 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)N1C[C@H]3[C@H](C(=O)[O-])[C@H]3C1)c2=O ZINC001608095999 1019077176 /nfs/dbraw/zinc/07/71/76/1019077176.db2.gz BKBHPKVIFCVPIA-JZYVYDRUSA-N -1 0 316.317 -0.325 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])ccc1=O ZINC001608096401 1019077274 /nfs/dbraw/zinc/07/72/74/1019077274.db2.gz KWZQVAHAMLGLPQ-SNVBAGLBSA-N -1 0 307.306 -0.809 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001608100856 1019077320 /nfs/dbraw/zinc/07/73/20/1019077320.db2.gz CGAOZRAZFDCJTQ-UHFFFAOYSA-N -1 0 308.298 -0.488 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)CN2CCCS2(=O)=O)n1 ZINC001608099312 1019077336 /nfs/dbraw/zinc/07/73/36/1019077336.db2.gz PZAVAVNEOUUILJ-UHFFFAOYSA-N -1 0 302.312 -0.908 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CC(S(C)(=O)=O)C1 ZINC001608100541 1019077577 /nfs/dbraw/zinc/07/75/77/1019077577.db2.gz YSHNFYBLUGKMOC-UHFFFAOYSA-N -1 0 322.364 -0.859 20 0 DBADRM Cn1cc(C(=O)NC2(CC(=O)[O-])CCS(=O)(=O)CC2)cn1 ZINC001608098623 1019077922 /nfs/dbraw/zinc/07/79/22/1019077922.db2.gz SAOCBYWKPPHZSB-UHFFFAOYSA-N -1 0 315.351 -0.428 20 0 DBADRM Cn1cc(C(=O)N2CCN(c3ccc(C(=O)[O-])nn3)CC2)cn1 ZINC001608097024 1019077937 /nfs/dbraw/zinc/07/79/37/1019077937.db2.gz ZEKDONUIGIIMTK-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM Cn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)c(=O)n(C)c1=O ZINC001608096844 1019078007 /nfs/dbraw/zinc/07/80/07/1019078007.db2.gz UBAOFKWBRJRCHS-SECBINFHSA-N -1 0 323.330 -0.299 20 0 DBADRM Cn1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cc1C=O ZINC001608096683 1019078051 /nfs/dbraw/zinc/07/80/51/1019078051.db2.gz IZMIHRDBNNTBEM-UHFFFAOYSA-N -1 0 323.349 -0.303 20 0 DBADRM Cn1c(CNC(=O)COCC(=O)[O-])cc(=O)n1-c1ccccc1 ZINC001608104437 1019078493 /nfs/dbraw/zinc/07/84/93/1019078493.db2.gz PRMWRJPFBFHTSG-UHFFFAOYSA-N -1 0 319.317 -0.107 20 0 DBADRM Cn1cc(C(N)=O)c(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)n1 ZINC001608105928 1019078665 /nfs/dbraw/zinc/07/86/65/1019078665.db2.gz PTNVAXAQVMUPJM-JGVFFNPUSA-N -1 0 310.310 -0.273 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CO)[C@@H]1CCOC1 ZINC001608103973 1019079128 /nfs/dbraw/zinc/07/91/28/1019079128.db2.gz XBVCBDPIHZDFQS-PSASIEDQSA-N -1 0 318.351 -0.601 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)N3CCO[C@H](CC(=O)[O-])C3)C2)cn1 ZINC001608106134 1019079872 /nfs/dbraw/zinc/07/98/72/1019079872.db2.gz CBHRKCATMCHFJW-PWSUYJOCSA-N -1 0 322.321 -0.385 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)NCCCN2C(=O)CNC2=O)n1 ZINC001608102102 1019080022 /nfs/dbraw/zinc/08/00/22/1019080022.db2.gz DIELVQLENXEABP-UHFFFAOYSA-N -1 0 324.297 -0.818 20 0 DBADRM Cn1cc(CC(=O)NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cn1 ZINC001608106391 1019080039 /nfs/dbraw/zinc/08/00/39/1019080039.db2.gz CCXZXFAPQCYHFE-QWRGUYRKSA-N -1 0 320.349 -0.552 20 0 DBADRM Cn1cc(CCC(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])nn1 ZINC001608108832 1019080322 /nfs/dbraw/zinc/08/03/22/1019080322.db2.gz ZXJUXMPIKBJNOI-ZDUSSCGKSA-N -1 0 306.326 -0.396 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)NCCN=S(C)(C)=O ZINC001608101195 1019080693 /nfs/dbraw/zinc/08/06/93/1019080693.db2.gz SQEIZUDEJLLZQM-UHFFFAOYSA-N -1 0 323.396 -0.271 20 0 DBADRM Cn1cc(N2CC[C@H](N3CCC(O)(C(=O)[O-])CC3)C2=O)cn1 ZINC001608117979 1019081448 /nfs/dbraw/zinc/08/14/48/1019081448.db2.gz YXPNUXPZLFMGCD-NSHDSACASA-N -1 0 308.338 -0.563 20 0 DBADRM Cn1cc(N2CC[C@@H](NS(=O)(=O)CCCC(=O)[O-])C2)cn1 ZINC001608117804 1019081549 /nfs/dbraw/zinc/08/15/49/1019081549.db2.gz UMTLRAOREYHBAF-SNVBAGLBSA-N -1 0 316.383 -0.217 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C2=O)cn1 ZINC001608117856 1019081964 /nfs/dbraw/zinc/08/19/64/1019081964.db2.gz VYYAZQOSNWZXSI-WCABBAIRSA-N -1 0 321.337 -0.312 20 0 DBADRM Cn1cc(C[C@@H](CO)NS(=O)(=O)CC2(C(=O)[O-])CC2)cn1 ZINC001608110695 1019082416 /nfs/dbraw/zinc/08/24/16/1019082416.db2.gz MAFBCTDVPTXSRO-JTQLQIEISA-N -1 0 317.367 -0.892 20 0 DBADRM CC(C)=CC(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001502553403 1019083320 /nfs/dbraw/zinc/08/33/20/1019083320.db2.gz YHJUJAQRYIYZHW-CQSZACIVSA-N -1 0 309.370 -0.080 20 0 DBADRM Cn1cc(CN2CC=C(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001608113677 1019083218 /nfs/dbraw/zinc/08/32/18/1019083218.db2.gz VPRJMUDDYCUWRE-STQMWFEESA-N -1 0 319.365 -0.216 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N[C@H](C(=O)[O-])C3CC3)CC2=O)cn1 ZINC001608117674 1019083628 /nfs/dbraw/zinc/08/36/28/1019083628.db2.gz QBEJDEQKZQNSRA-CABZTGNLSA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])cn1 ZINC001608121879 1019084127 /nfs/dbraw/zinc/08/41/27/1019084127.db2.gz JCACJTYTSALGAF-LLVKDONJSA-N -1 0 313.339 -0.562 20 0 DBADRM Cn1ccc(C(=O)NCC2(O)CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001608123889 1019084256 /nfs/dbraw/zinc/08/42/56/1019084256.db2.gz XPRCFXWRCYXLHX-WDEREUQCSA-N -1 0 321.333 -0.951 20 0 DBADRM Cn1ccc(-c2cc(C(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)no2)n1 ZINC001608123052 1019084935 /nfs/dbraw/zinc/08/49/35/1019084935.db2.gz LJHQVWNJYCHSBP-IUCAKERBSA-N -1 0 320.305 -0.017 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)OCCCC(=O)C(=O)[O-] ZINC001608122518 1019085022 /nfs/dbraw/zinc/08/50/22/1019085022.db2.gz HKAAWYLHZSOSQN-UHFFFAOYSA-N -1 0 318.307 -0.737 20 0 DBADRM Cn1ccc(CC(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001608126790 1019085359 /nfs/dbraw/zinc/08/53/59/1019085359.db2.gz ONCNTRFTLFPPIZ-QWRGUYRKSA-N -1 0 306.322 -0.990 20 0 DBADRM Cn1ccc(C(=O)N[C@@H]2CCN(c3ncc(C(=O)[O-])cn3)C2)n1 ZINC001608123431 1019085707 /nfs/dbraw/zinc/08/57/07/1019085707.db2.gz IBUYTBYVKVKHMA-SNVBAGLBSA-N -1 0 316.321 -0.083 20 0 DBADRM Cn1cnc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])cc1=O ZINC001608133390 1019086977 /nfs/dbraw/zinc/08/69/77/1019086977.db2.gz DOAMNYBFASIJKM-MRVPVSSYSA-N -1 0 311.294 -0.884 20 0 DBADRM Cn1cccc(NC(=O)C(=O)NC[C@H](CC2CC2)C(=O)[O-])c1=O ZINC001608129949 1019087810 /nfs/dbraw/zinc/08/78/10/1019087810.db2.gz GORHOMWADCPZQZ-JTQLQIEISA-N -1 0 321.333 -0.059 20 0 DBADRM Cn1cnc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1=O ZINC001608131829 1019088080 /nfs/dbraw/zinc/08/80/80/1019088080.db2.gz KZHGDHLVWDBGKS-UHFFFAOYSA-N -1 0 309.322 -0.124 20 0 DBADRM Cn1cnc(C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1=O ZINC001608133738 1019088172 /nfs/dbraw/zinc/08/81/72/1019088172.db2.gz HREFKTJPUDOQAC-MRVPVSSYSA-N -1 0 317.305 -0.060 20 0 DBADRM Cn1cncc1C(=O)NC/C=C\CNc1ccnc(C(=O)[O-])n1 ZINC001608136321 1019089528 /nfs/dbraw/zinc/08/95/28/1019089528.db2.gz KWOJMRDJFHUHFO-IHWYPQMZSA-N -1 0 316.321 -0.272 20 0 DBADRM Cn1cnn(CCC(=O)N[C@@H](C(=O)[O-])c2ccccn2)c1=O ZINC001608137486 1019090055 /nfs/dbraw/zinc/09/00/55/1019090055.db2.gz MUEFXMGPWRUACU-LLVKDONJSA-N -1 0 305.294 -0.691 20 0 DBADRM Cn1cnnc1[C@H](CO)NS(=O)(=O)CCCCCC(=O)[O-] ZINC001608138713 1019090203 /nfs/dbraw/zinc/09/02/03/1019090203.db2.gz KQSXDOSTTGTZLP-VIFPVBQESA-N -1 0 320.371 -0.587 20 0 DBADRM Cn1cnc(CNC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n1 ZINC001608135936 1019090234 /nfs/dbraw/zinc/09/02/34/1019090234.db2.gz ZVPZJRLSBUZSSY-TVQRCGJNSA-N -1 0 309.326 -0.552 20 0 DBADRM Cn1cnn(CC(=O)Nc2ccc(OCC(=O)[O-])cc2)c1=O ZINC001608137706 1019090604 /nfs/dbraw/zinc/09/06/04/1019090604.db2.gz ULDUNVTWMPGJFB-UHFFFAOYSA-N -1 0 306.278 -0.316 20 0 DBADRM Cn1cncc1CCN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001608136618 1019090624 /nfs/dbraw/zinc/09/06/24/1019090624.db2.gz BLPDGXUPBPHYNB-NSHDSACASA-N -1 0 301.368 -0.464 20 0 DBADRM Cn1cnnc1[C@H]1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001608138293 1019091234 /nfs/dbraw/zinc/09/12/34/1019091234.db2.gz FMEIONATXOVIIG-VIFPVBQESA-N -1 0 304.310 -0.274 20 0 DBADRM Cn1cnn(CC(=O)N(CCC(F)(F)F)CC(=O)[O-])c1=O ZINC001608137456 1019091401 /nfs/dbraw/zinc/09/14/01/1019091401.db2.gz LXKPNCRSIXJRGH-UHFFFAOYSA-N -1 0 310.232 -0.553 20 0 DBADRM Cn1cncc1CC(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001608136278 1019091933 /nfs/dbraw/zinc/09/19/33/1019091933.db2.gz IXZIOJJCLVCYRS-NWDGAFQWSA-N -1 0 320.349 -0.742 20 0 DBADRM Cn1nc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])cc1C(F)F ZINC001608142121 1019092112 /nfs/dbraw/zinc/09/21/12/1019092112.db2.gz DDLQHCSBFDXGMR-ZETCQYMHSA-N -1 0 314.252 -0.168 20 0 DBADRM Cn1nc(Br)cc1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001608140353 1019092621 /nfs/dbraw/zinc/09/26/21/1019092621.db2.gz RFEQGAHXYUFQAJ-SNVBAGLBSA-N -1 0 318.127 -0.156 20 0 DBADRM Cn1cnnc1CN1CCC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608139813 1019092663 /nfs/dbraw/zinc/09/26/63/1019092663.db2.gz VJAQGGGYPYOPEH-GHMZBOCLSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1nc(NC(=O)CS(=O)(=O)NC(C)(C)C)cc1C(=O)[O-] ZINC001608149640 1019092760 /nfs/dbraw/zinc/09/27/60/1019092760.db2.gz IGNUVTDAJLKCQV-UHFFFAOYSA-N -1 0 318.355 -0.225 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001608139319 1019092838 /nfs/dbraw/zinc/09/28/38/1019092838.db2.gz RFDVTQLBTUOTFI-GUBZILKMSA-N -1 0 321.337 -0.542 20 0 DBADRM Cn1nc([C@H]2CCCO2)cc1NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001608148199 1019092874 /nfs/dbraw/zinc/09/28/74/1019092874.db2.gz FWXRZPSSYRUYPL-SECBINFHSA-N -1 0 310.310 -0.065 20 0 DBADRM Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)NC1(C(=O)[O-])CC1 ZINC001608149042 1019093114 /nfs/dbraw/zinc/09/31/14/1019093114.db2.gz VFLOOPGMEUMGLU-SECBINFHSA-N -1 0 322.321 -0.057 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1C[C@H](CO)[C@H](CCO)C1 ZINC001608155703 1019094539 /nfs/dbraw/zinc/09/45/39/1019094539.db2.gz SXSDUUOGCIOHRG-RKDXNWHRSA-N -1 0 312.326 -0.427 20 0 DBADRM Cn1ncc(C(=O)N2CC[C@@H](Nc3ncc(C(=O)[O-])cn3)C2)n1 ZINC001608153669 1019094617 /nfs/dbraw/zinc/09/46/17/1019094617.db2.gz PVDRMKFCCKRFSS-SECBINFHSA-N -1 0 317.309 -0.370 20 0 DBADRM Cn1ncc(Cl)c1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001608157610 1019094679 /nfs/dbraw/zinc/09/46/79/1019094679.db2.gz FCOXRPSRSFKRIL-UHFFFAOYSA-N -1 0 324.728 -0.175 20 0 DBADRM Cn1nc(NC(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1C(=O)[O-] ZINC001608149892 1019094965 /nfs/dbraw/zinc/09/49/65/1019094965.db2.gz OANKXLNBLLIMBB-ZDUSSCGKSA-N -1 0 307.310 -0.138 20 0 DBADRM Cn1nc2c(c1C(=O)N1CC[C@](O)(C(=O)[O-])C1)CSCC2 ZINC001608151602 1019095128 /nfs/dbraw/zinc/09/51/28/1019095128.db2.gz PNBLSYPVBUYBPR-CYBMUJFWSA-N -1 0 311.363 -0.129 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCOCC1CC1 ZINC001608154650 1019095209 /nfs/dbraw/zinc/09/52/09/1019095209.db2.gz DRKXPCGJFWBAOQ-UHFFFAOYSA-N -1 0 310.310 -0.400 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2C[C@H](Nc3ccnc(C(=O)[O-])n3)C2)n1 ZINC001608155502 1019095271 /nfs/dbraw/zinc/09/52/71/1019095271.db2.gz JRYTYVRSAIDJGS-ZKCHVHJHSA-N -1 0 317.309 -0.902 20 0 DBADRM Cn1nc2c(c1CNC(=O)Cn1cc(C(=O)[O-])nn1)CCCC2 ZINC001608151384 1019095603 /nfs/dbraw/zinc/09/56/03/1019095603.db2.gz GALNJWNUBFEHEB-UHFFFAOYSA-N -1 0 318.337 -0.095 20 0 DBADRM Cn1ncc2c1nnn(CN1C[C@@H]3CCC[C@]3(C(=O)[O-])C1)c2=O ZINC001608160882 1019096803 /nfs/dbraw/zinc/09/68/03/1019096803.db2.gz VHTYXPMLKRNCBE-XPTSAGLGSA-N -1 0 318.337 -0.331 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N[C@H](Cn1cncn1)C(=O)[O-])CC2 ZINC001608160971 1019097473 /nfs/dbraw/zinc/09/74/73/1019097473.db2.gz XRSOQIPNUFXWIA-MWLCHTKSSA-N -1 0 318.337 -0.614 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])CC2 ZINC001608160973 1019097861 /nfs/dbraw/zinc/09/78/61/1019097861.db2.gz XRSOQIPNUFXWIA-ONGXEEELSA-N -1 0 318.337 -0.614 20 0 DBADRM Cn1ncc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001608158328 1019097933 /nfs/dbraw/zinc/09/79/33/1019097933.db2.gz ZZZVVGQEGKVBOR-QNWHQSFQSA-N -1 0 319.365 -0.289 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)N[C@H](Cn1cncn1)C(=O)[O-])CC2 ZINC001608160969 1019098344 /nfs/dbraw/zinc/09/83/44/1019098344.db2.gz XRSOQIPNUFXWIA-GXSJLCMTSA-N -1 0 318.337 -0.614 20 0 DBADRM Cn1nncc1C(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001608167731 1019099402 /nfs/dbraw/zinc/09/94/02/1019099402.db2.gz IFDNNAJREPLKNM-ZETCQYMHSA-N -1 0 314.298 -0.050 20 0 DBADRM Cn1nncc1CN1CC=C(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608168007 1019100333 /nfs/dbraw/zinc/10/03/33/1019100333.db2.gz NIYSVUWKJTUOIE-CHWSQXEVSA-N -1 0 319.365 -0.216 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001608166611 1019101090 /nfs/dbraw/zinc/10/10/90/1019101090.db2.gz UZWYRSUSVAYMRI-HWKANZROSA-N -1 0 318.289 -0.151 20 0 DBADRM Cn1nnnc1SCCC(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001608170029 1019105194 /nfs/dbraw/zinc/10/51/94/1019105194.db2.gz QZMDSRLCFFNXBA-UHFFFAOYSA-N -1 0 309.311 -0.181 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001608229164 1019114937 /nfs/dbraw/zinc/11/49/37/1019114937.db2.gz FUXNOVIYDVARRL-JTQLQIEISA-N -1 0 305.290 -0.326 20 0 DBADRM NC(=O)C(=O)N[C@H]1CCCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001608227532 1019115576 /nfs/dbraw/zinc/11/55/76/1019115576.db2.gz UYYLGVHGLZPATJ-QMMMGPOBSA-N -1 0 307.310 -0.865 20 0 DBADRM NC(=O)C(=O)N[C@@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C12CCC2 ZINC001608226935 1019116445 /nfs/dbraw/zinc/11/64/45/1019116445.db2.gz HHWQLQLACGTMLR-RKDXNWHRSA-N -1 0 319.321 -0.501 20 0 DBADRM NC(=O)C(=O)N1CCCC[C@H]1CCNc1ncc(C(=O)[O-])cn1 ZINC001608226685 1019116900 /nfs/dbraw/zinc/11/69/00/1019116900.db2.gz CUIJKWRWJPFEKV-JTQLQIEISA-N -1 0 321.337 -0.157 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1(C)CC=CC1 ZINC001502618273 1019117825 /nfs/dbraw/zinc/11/78/25/1019117825.db2.gz AGQFEQXNXHTWDZ-SECBINFHSA-N -1 0 323.353 -0.334 20 0 DBADRM NC(=O)CC1CC(NC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)C1 ZINC001608230581 1019118066 /nfs/dbraw/zinc/11/80/66/1019118066.db2.gz MTXXJIOLTUQPEF-UHFFFAOYSA-N -1 0 321.337 -0.129 20 0 DBADRM NC(=O)C1CN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)C1 ZINC001608229646 1019118098 /nfs/dbraw/zinc/11/80/98/1019118098.db2.gz NMJPRQFFULTHJQ-UHFFFAOYSA-N -1 0 304.368 -0.232 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)CCc2ocnc2C(=O)[O-])CC1 ZINC001608229323 1019118540 /nfs/dbraw/zinc/11/85/40/1019118540.db2.gz IBQWACQTISPZMW-UHFFFAOYSA-N -1 0 311.294 -0.856 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001608229745 1019118700 /nfs/dbraw/zinc/11/87/00/1019118700.db2.gz NRZFTFFACLPJIA-UISBYWKRSA-N -1 0 306.322 -0.306 20 0 DBADRM NC(=O)C1CN(S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)C1 ZINC001608230322 1019118767 /nfs/dbraw/zinc/11/87/67/1019118767.db2.gz VVKSBIRILQNTBU-UHFFFAOYSA-N -1 0 320.273 -0.231 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)C[C@@H]1C(N)=O ZINC001608229230 1019118940 /nfs/dbraw/zinc/11/89/40/1019118940.db2.gz FESKLZROWRMCRO-IUCAKERBSA-N -1 0 323.280 -0.817 20 0 DBADRM NC(=O)CC(=O)N1CCC(CNc2ncc(C(=O)[O-])cn2)CC1 ZINC001608229659 1019119842 /nfs/dbraw/zinc/11/98/42/1019119842.db2.gz ODBXUECFFSGSBJ-UHFFFAOYSA-N -1 0 321.337 -0.299 20 0 DBADRM NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001608232975 1019122147 /nfs/dbraw/zinc/12/21/47/1019122147.db2.gz RUBPPNCMBFDUKB-SNVBAGLBSA-N -1 0 313.335 -0.192 20 0 DBADRM NC(=O)CN(C(=O)c1cc(C(=O)[O-])ccn1)C1CCOCC1 ZINC001608234920 1019122291 /nfs/dbraw/zinc/12/22/91/1019122291.db2.gz PUHRSNLBQSOAAI-UHFFFAOYSA-N -1 0 307.306 -0.114 20 0 DBADRM NC(=O)C1CCC(NS(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001608232298 1019122368 /nfs/dbraw/zinc/12/23/68/1019122368.db2.gz LBGFIQKJNZVAQG-UHFFFAOYSA-N -1 0 304.368 -0.185 20 0 DBADRM NC(=O)CN(C1CCOCC1)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001608234861 1019122846 /nfs/dbraw/zinc/12/28/46/1019122846.db2.gz NRDHGTNEKFLHIP-UHFFFAOYSA-N -1 0 320.367 -0.710 20 0 DBADRM NC(=O)CC[C@@H]1CCCN(Cn2nc(C(=O)[O-])ccc2=O)C1 ZINC001608231138 1019123225 /nfs/dbraw/zinc/12/32/25/1019123225.db2.gz ARLZUUCVFJFCPT-JTQLQIEISA-N -1 0 308.338 -0.124 20 0 DBADRM NC(=O)CCN(C(=O)Cn1cc(C(=O)[O-])nn1)c1ccccc1 ZINC001608233819 1019123933 /nfs/dbraw/zinc/12/39/33/1019123933.db2.gz GTZHGBVTFNDIFI-UHFFFAOYSA-N -1 0 317.305 -0.115 20 0 DBADRM NC(=O)[C@H]1CC[C@@H]1C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001608231766 1019124046 /nfs/dbraw/zinc/12/40/46/1019124046.db2.gz HSLAPLMWJYJKQZ-QWRGUYRKSA-N -1 0 319.317 -0.049 20 0 DBADRM NC(=O)Cn1cc(NC(=O)N[C@H](CC(=O)[O-])C2CC2)ccc1=O ZINC001608236858 1019126386 /nfs/dbraw/zinc/12/63/86/1019126386.db2.gz JRXWAIJDRZTJGB-SNVBAGLBSA-N -1 0 322.321 -0.292 20 0 DBADRM NC(=O)COc1cccc2c1CCCN2CC(=O)NCC(=O)[O-] ZINC001608236381 1019126474 /nfs/dbraw/zinc/12/64/74/1019126474.db2.gz YEAFBKOTKLEGPJ-UHFFFAOYSA-N -1 0 321.333 -0.496 20 0 DBADRM NC(=O)Cn1cc(NC(=O)N2CCC(C(=O)[O-])CC2)ccc1=O ZINC001608237301 1019126494 /nfs/dbraw/zinc/12/64/94/1019126494.db2.gz UZMFLWFLGNZIOC-UHFFFAOYSA-N -1 0 322.321 -0.338 20 0 DBADRM NC(=O)CNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC001608235376 1019126561 /nfs/dbraw/zinc/12/65/61/1019126561.db2.gz KGSIVVWXCVZGGP-AOOOYVTPSA-N -1 0 319.317 -0.049 20 0 DBADRM NC(=O)N[C@@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001608238167 1019126996 /nfs/dbraw/zinc/12/69/96/1019126996.db2.gz MSWMBEGGCVFRRT-MRVPVSSYSA-N -1 0 305.356 -0.686 20 0 DBADRM NC(=O)Cn1cc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)ccc1=O ZINC001608236816 1019127092 /nfs/dbraw/zinc/12/70/92/1019127092.db2.gz ILMAOXFWUIHARS-OTSSQURYSA-N -1 0 308.294 -0.682 20 0 DBADRM NC(=O)CN1CCN(CCc2ccccc2C(=O)[O-])CC1=O ZINC001608235282 1019127240 /nfs/dbraw/zinc/12/72/40/1019127240.db2.gz ZHHOEVNMONGYES-UHFFFAOYSA-N -1 0 305.334 -0.443 20 0 DBADRM NC(=O)NC1CCN(C(=O)CCc2ocnc2C(=O)[O-])CC1 ZINC001608238231 1019127841 /nfs/dbraw/zinc/12/78/41/1019127841.db2.gz OFHYWKBJFHRCBP-UHFFFAOYSA-N -1 0 310.310 -0.035 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N(CC(=O)[O-])C2CCOCC2)O1 ZINC001608241016 1019129450 /nfs/dbraw/zinc/12/94/50/1019129450.db2.gz VYQQJXQAKPTKKZ-VHSXEESVSA-N -1 0 300.311 -0.889 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)NC2(C(=O)[O-])CC(CO)C2)O1 ZINC001608240217 1019131384 /nfs/dbraw/zinc/13/13/84/1019131384.db2.gz MSMDIECUCBQIDA-HDCINBLHSA-N -1 0 314.338 -0.859 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)cc1 ZINC001608244619 1019132219 /nfs/dbraw/zinc/13/22/19/1019132219.db2.gz BSLNEMZPGOTBSI-AVCCJPFPSA-N -1 0 322.317 -0.351 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC001608244714 1019132249 /nfs/dbraw/zinc/13/22/49/1019132249.db2.gz ALUWVYGPNBCQGW-CBAPKCEASA-N -1 0 317.305 -0.189 20 0 DBADRM NC(=O)c1csc(CNC(=O)NCCOCC(=O)[O-])n1 ZINC001608245400 1019133261 /nfs/dbraw/zinc/13/32/61/1019133261.db2.gz MNWRYRQDWZDHHA-UHFFFAOYSA-N -1 0 302.312 -0.858 20 0 DBADRM NC(=O)c1ccc(OCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cc1 ZINC001608246045 1019133862 /nfs/dbraw/zinc/13/38/62/1019133862.db2.gz VJILHQCVXXQYSR-ZWNOBZJWSA-N -1 0 322.317 -0.230 20 0 DBADRM NC(=O)c1cccc(NC(=O)N[C@]2(CC(=O)[O-])CCOC2)n1 ZINC001608246730 1019134780 /nfs/dbraw/zinc/13/47/80/1019134780.db2.gz ZEYATHYZHZUBGF-ZDUSSCGKSA-N -1 0 308.294 -0.064 20 0 DBADRM NC(=O)c1cn(C2CN(C(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)C2)nn1 ZINC001608246887 1019134812 /nfs/dbraw/zinc/13/48/12/1019134812.db2.gz IKKZQCIIQCXCEP-DTWKUNHWSA-N -1 0 321.337 -0.349 20 0 DBADRM NC(=O)c1ccc(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)nc1 ZINC001608243231 1019135038 /nfs/dbraw/zinc/13/50/38/1019135038.db2.gz PJKNLOXVIGTYGB-NXEZZACHSA-N -1 0 307.306 -0.352 20 0 DBADRM N=C1NC(=O)C(CC(=O)NCc2ccnc(C(=O)[O-])c2)S1 ZINC001608250366 1019135979 /nfs/dbraw/zinc/13/59/79/1019135979.db2.gz DPRRENFAGFGESP-MRVPVSSYSA-N -1 0 308.319 -0.048 20 0 DBADRM NC(=O)c1ncn(CC(=O)Nc2cccc(CC(=O)[O-])c2)n1 ZINC001608247526 1019136563 /nfs/dbraw/zinc/13/65/63/1019136563.db2.gz JMXXICRGAAFKRN-UHFFFAOYSA-N -1 0 303.278 -0.357 20 0 DBADRM NCC(F)(F)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001608252451 1019136626 /nfs/dbraw/zinc/13/66/26/1019136626.db2.gz MJNWNRKEZYLURL-DTWKUNHWSA-N -1 0 319.308 -0.734 20 0 DBADRM NS(=O)(=O)Cc1cccc(C(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC001608260599 1019140154 /nfs/dbraw/zinc/14/01/54/1019140154.db2.gz OYNVPABOAFZEOZ-JTQLQIEISA-N -1 0 316.335 -0.960 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC001608259513 1019140228 /nfs/dbraw/zinc/14/02/28/1019140228.db2.gz NEUXJBLBDQNXIM-QMMMGPOBSA-N -1 0 313.335 -0.470 20 0 DBADRM NS(=O)(=O)C1(C(=O)N2CCSC[C@H](C(=O)[O-])C2)CC1 ZINC001608258895 1019140676 /nfs/dbraw/zinc/14/06/76/1019140676.db2.gz TTWFLKTXSOJLLC-SSDOTTSWSA-N -1 0 308.381 -0.916 20 0 DBADRM NS(=O)(=O)NC[C@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001608261681 1019145410 /nfs/dbraw/zinc/14/54/10/1019145410.db2.gz XDWRBGULJCEKNM-MRVPVSSYSA-N -1 0 315.355 -0.816 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N2CCC[C@@H](CCF)C2)C1 ZINC001608277117 1019148119 /nfs/dbraw/zinc/14/81/19/1019148119.db2.gz AJMXWMUEBQHXOV-VIFPVBQESA-N -1 0 302.302 -0.758 20 0 DBADRM Nc1ccc(S(=O)(=O)NCCC(=O)NCCC(=O)[O-])cc1 ZINC001608273593 1019148510 /nfs/dbraw/zinc/14/85/10/1019148510.db2.gz STQKMJQJQXPVQU-UHFFFAOYSA-N -1 0 315.351 -0.472 20 0 DBADRM Nc1nccnc1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001608277636 1019149321 /nfs/dbraw/zinc/14/93/21/1019149321.db2.gz LMCMOYBTMPGDRQ-ZETCQYMHSA-N -1 0 303.282 -0.564 20 0 DBADRM O=C([O-])[C@@H](CCF)NC(=O)CC1(n2cnnn2)CCOCC1 ZINC001608291421 1019150843 /nfs/dbraw/zinc/15/08/43/1019150843.db2.gz NGVNYUCEXRHJRM-SECBINFHSA-N -1 0 315.305 -0.502 20 0 DBADRM Nc1nccnc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608277710 1019151725 /nfs/dbraw/zinc/15/17/25/1019151725.db2.gz NNUNPVOGWMGCDZ-BDAKNGLRSA-N -1 0 319.321 -0.936 20 0 DBADRM Nc1nnn(CC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])n1 ZINC001608280041 1019153038 /nfs/dbraw/zinc/15/30/38/1019153038.db2.gz RBQTWVMTTHWELN-SECBINFHSA-N -1 0 322.300 -0.546 20 0 DBADRM O=C(CCCNC(=O)c1cccnc1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001608305314 1019154459 /nfs/dbraw/zinc/15/44/59/1019154459.db2.gz XNVNOBVWEILTJJ-WGRBQBNCSA-N -1 0 321.333 -0.314 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)CCC2CC2)n1 ZINC001608300784 1019156487 /nfs/dbraw/zinc/15/64/87/1019156487.db2.gz VMBUZQWFTONXDN-JTQLQIEISA-N -1 0 308.338 -0.324 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)NC[C@@H](O)c2c[nH]cn2)n1 ZINC001608306896 1019156926 /nfs/dbraw/zinc/15/69/26/1019156926.db2.gz UYKOKCAMADDKNU-LLVKDONJSA-N -1 0 307.310 -0.066 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)CCc2cn[nH]c2)n1 ZINC001608319376 1019158983 /nfs/dbraw/zinc/15/89/83/1019158983.db2.gz XRWBPQMFHFUULC-UHFFFAOYSA-N -1 0 304.310 -0.519 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)NCc2nc(O)cc(=O)[nH]2)C1 ZINC001608314052 1019159040 /nfs/dbraw/zinc/15/90/40/1019159040.db2.gz HJLCMWGKMVMLGJ-JGVFFNPUSA-N -1 0 311.294 -0.226 20 0 DBADRM O=C([O-])C1CCN(C(=O)COC(=O)CCc2nnc[nH]2)CC1 ZINC001608322102 1019159095 /nfs/dbraw/zinc/15/90/95/1019159095.db2.gz JUVKRRUBZKAEQB-UHFFFAOYSA-N -1 0 310.310 -0.396 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)CCc2cn[nH]c2)n1 ZINC001608319373 1019159721 /nfs/dbraw/zinc/15/97/21/1019159721.db2.gz XLMRGMRIBRQFKH-UHFFFAOYSA-N -1 0 318.337 -0.129 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)N[C@H]1CCS(=O)(=O)C1 ZINC001608313268 1019159810 /nfs/dbraw/zinc/15/98/10/1019159810.db2.gz FEEPTVQJLSMNMZ-LPEHRKFASA-N -1 0 305.352 -0.440 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCn1cnc2ccccc2c1=O ZINC001608324870 1019159823 /nfs/dbraw/zinc/15/98/23/1019159823.db2.gz DZHHGSNFIWMMTB-LLVKDONJSA-N -1 0 305.290 -0.652 20 0 DBADRM O=C(CCOC1CCOCC1)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001608311603 1019159864 /nfs/dbraw/zinc/15/98/64/1019159864.db2.gz PINDLCGNQFRAQE-NSHDSACASA-N -1 0 317.338 -0.096 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001608315850 1019160498 /nfs/dbraw/zinc/16/04/98/1019160498.db2.gz OAURHETXJUWLLY-JTQLQIEISA-N -1 0 305.294 -0.419 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2ccc(=O)[nH]c2)C1=O ZINC001608330351 1019161008 /nfs/dbraw/zinc/16/10/08/1019161008.db2.gz NJDSXXJZANVCHM-SNVBAGLBSA-N -1 0 307.306 -0.273 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)N[C@@H]1CC12CCOCC2 ZINC001608329995 1019161067 /nfs/dbraw/zinc/16/10/67/1019161067.db2.gz KXIZOUQRFCRYQF-WDEREUQCSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NC[C@H]2CCCC[C@@H]2O)C1=O ZINC001608330073 1019161103 /nfs/dbraw/zinc/16/11/03/1019161103.db2.gz MAXLEWSUDWHPGT-WOPDTQHZSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])c1cnc(NCCNC(=O)CN2CCCC2=O)nc1 ZINC001608330268 1019162125 /nfs/dbraw/zinc/16/21/25/1019162125.db2.gz DAYYOVUCFIBTRX-UHFFFAOYSA-N -1 0 307.310 -0.675 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001608328184 1019162258 /nfs/dbraw/zinc/16/22/58/1019162258.db2.gz PUBRAQNASSYBSN-XNCJUZBTSA-N -1 0 305.237 -0.990 20 0 DBADRM O=C([O-])C1(NC(=O)CN2C[C@H](CO)[C@H](O)C2)CCCCC1 ZINC001608327085 1019162489 /nfs/dbraw/zinc/16/24/89/1019162489.db2.gz CQNYQLBVVFRSDW-GHMZBOCLSA-N -1 0 300.355 -0.825 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 ZINC001608327150 1019162581 /nfs/dbraw/zinc/16/25/81/1019162581.db2.gz CJVUSQOVRAWNJJ-HNNXBMFYSA-N -1 0 318.285 -0.669 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(CC(=O)NCC(F)(F)F)C2)nn1 ZINC001608328825 1019162659 /nfs/dbraw/zinc/16/26/59/1019162659.db2.gz BAUIGGVQPOSLOO-ZETCQYMHSA-N -1 0 321.259 -0.098 20 0 DBADRM O=C([O-])c1ccoc1COC(=O)CN1CCS(=O)(=O)CC1 ZINC001608336337 1019163611 /nfs/dbraw/zinc/16/36/11/1019163611.db2.gz QAOVAGQPURRQTD-UHFFFAOYSA-N -1 0 317.319 -0.249 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1CC(=O)NC(=O)NC1CCCC1 ZINC001608332244 1019163733 /nfs/dbraw/zinc/16/37/33/1019163733.db2.gz CVOVTICEVOABOM-PWSUYJOCSA-N -1 0 313.354 -0.335 20 0 DBADRM O=C(CN1CCOCC1)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001608334082 1019163844 /nfs/dbraw/zinc/16/38/44/1019163844.db2.gz WUWLLSYAQGTCNG-NWDGAFQWSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C([O-])c1ccccc1CCNC(=O)CN1CCOCC1=O ZINC001608336002 1019164072 /nfs/dbraw/zinc/16/40/72/1019164072.db2.gz MBQGOCVSYPQSCA-UHFFFAOYSA-N -1 0 306.318 -0.098 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)Nc2nnc3ccccn32)C1=O ZINC001608332680 1019164170 /nfs/dbraw/zinc/16/41/70/1019164170.db2.gz LPGJTZMBPFPGNU-VIFPVBQESA-N -1 0 317.305 -0.009 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001608331775 1019164193 /nfs/dbraw/zinc/16/41/93/1019164193.db2.gz WZCLIBXTOGMSJF-QMMMGPOBSA-N -1 0 308.331 -0.517 20 0 DBADRM O=C(CN1CCN2C(=O)N=NC2C1)NC1(C(=O)[O-])CCCCC1 ZINC001608334566 1019164244 /nfs/dbraw/zinc/16/42/44/1019164244.db2.gz BBIOIOANOHPMTE-UHFFFAOYSA-N -1 0 323.353 -0.297 20 0 DBADRM O=C(CN1CCCNC1=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC001608331586 1019164355 /nfs/dbraw/zinc/16/43/55/1019164355.db2.gz SVYMICVWLZFINY-VIFPVBQESA-N -1 0 312.351 -0.330 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1CC(=O)NC(=O)NC1CCCC1 ZINC001608332245 1019164362 /nfs/dbraw/zinc/16/43/62/1019164362.db2.gz CVOVTICEVOABOM-ZYHUDNBSSA-N -1 0 313.354 -0.335 20 0 DBADRM O=C([O-])c1[nH]ccc1OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001608349502 1019165861 /nfs/dbraw/zinc/16/58/61/1019165861.db2.gz HPUCKCGNDAZVGK-ZETCQYMHSA-N -1 0 302.308 -0.605 20 0 DBADRM O=C(CNC1(C(=O)[O-])CCS(=O)(=O)CC1)NC1CCCC1 ZINC001608338775 1019166308 /nfs/dbraw/zinc/16/63/08/1019166308.db2.gz BXIUAMHZIMCSGS-UHFFFAOYSA-N -1 0 318.395 -0.333 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)COCC(F)(F)F ZINC001608346566 1019166791 /nfs/dbraw/zinc/16/67/91/1019166791.db2.gz BHBXTEXPAFVMBK-LURJTMIESA-N -1 0 301.217 -0.102 20 0 DBADRM O=C(COC(=O)[C@H]1COCCO1)NC1(C(=O)[O-])CCCCC1 ZINC001608345022 1019167294 /nfs/dbraw/zinc/16/72/94/1019167294.db2.gz QOLIDEKWHRWYOL-SNVBAGLBSA-N -1 0 315.322 -0.151 20 0 DBADRM O=C(COC(=O)[C@@H]1COC(=O)N1)Nc1cccc(C(=O)[O-])n1 ZINC001608344319 1019167428 /nfs/dbraw/zinc/16/74/28/1019167428.db2.gz BNMXFCPWWYEKRV-ZETCQYMHSA-N -1 0 309.234 -0.630 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1O)NC(=O)CCNC(=O)CO ZINC001608343397 1019167568 /nfs/dbraw/zinc/16/75/68/1019167568.db2.gz WDEQOLCUYQIOTC-JTQLQIEISA-N -1 0 310.306 -0.997 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)Cc1cc[nH]c(=O)c1Br ZINC001608369105 1019169340 /nfs/dbraw/zinc/16/93/40/1019169340.db2.gz FJQIADADIWVBTM-LURJTMIESA-N -1 0 319.111 -0.346 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)Cc1cccc(N2CCCC2=O)c1 ZINC001608365366 1019169834 /nfs/dbraw/zinc/16/98/34/1019169834.db2.gz REDOPDRDMNFSCJ-LBPRGKRZSA-N -1 0 306.318 -0.082 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)Cc1cccc(N2CCCC2=O)c1 ZINC001608365365 1019170674 /nfs/dbraw/zinc/17/06/74/1019170674.db2.gz REDOPDRDMNFSCJ-GFCCVEGCSA-N -1 0 306.318 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)Cc2cncnc2)C1 ZINC001608369994 1019170790 /nfs/dbraw/zinc/17/07/90/1019170790.db2.gz QTMMCOBTQKKATO-DDHJBXDOSA-N -1 0 318.333 -0.497 20 0 DBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001608354671 1019170808 /nfs/dbraw/zinc/17/08/08/1019170808.db2.gz TXNQBOXBQGQBDB-HLTSFMKQSA-N -1 0 307.393 -0.114 20 0 DBADRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)CC1C(=O)N=CNC1=O ZINC001608357537 1019171199 /nfs/dbraw/zinc/17/11/99/1019171199.db2.gz MQISQSQXXGBIFC-IONNQARKSA-N -1 0 311.294 -0.431 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)Cc2c[nH]cn2)CCC1 ZINC001608370013 1019172908 /nfs/dbraw/zinc/17/29/08/1019172908.db2.gz RDVGNBXPVORLDX-WDEREUQCSA-N -1 0 320.349 -0.172 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC001608377233 1019175120 /nfs/dbraw/zinc/17/51/20/1019175120.db2.gz MEIROUNFHVIDON-ZETCQYMHSA-N -1 0 308.212 -0.571 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)Cn2ncc3ccccc3c2=O)C1 ZINC001608381204 1019176633 /nfs/dbraw/zinc/17/66/33/1019176633.db2.gz FZEWFSFBYIIHBW-OAHLLOKOSA-N -1 0 317.301 -0.556 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)Cn1nnc2ccccc21 ZINC001608381255 1019176748 /nfs/dbraw/zinc/17/67/48/1019176748.db2.gz GVBAOXIHDPHMCA-NSHDSACASA-N -1 0 314.305 -0.034 20 0 DBADRM O=C([O-])[C@H](CNC(=O)Cn1ncnn1)Cc1ccc(O)cc1 ZINC001608381973 1019176779 /nfs/dbraw/zinc/17/67/79/1019176779.db2.gz XALJTVXAWVLVGJ-JTQLQIEISA-N -1 0 305.294 -0.562 20 0 DBADRM O=C([O-])C1(NC(=O)c2cn(-c3cccnc3)nn2)CC(CO)C1 ZINC001608404281 1019177986 /nfs/dbraw/zinc/17/79/86/1019177986.db2.gz VDQADULGBNEODM-UHFFFAOYSA-N -1 0 317.305 -0.382 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)[C@H]1CCc2nncn2CC1 ZINC001608397654 1019178197 /nfs/dbraw/zinc/17/81/97/1019178197.db2.gz XIKYTXRXCZUIIP-VHSXEESVSA-N -1 0 324.337 -0.437 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1ccc2cccnn21 ZINC001608403713 1019178245 /nfs/dbraw/zinc/17/82/45/1019178245.db2.gz UOWUVQARRKXVPU-SNVBAGLBSA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001608397309 1019178610 /nfs/dbraw/zinc/17/86/10/1019178610.db2.gz TYDWPWMWUFUPSW-ZJUUUORDSA-N -1 0 309.322 -0.222 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)c1ccc2c(n1)OCCO2 ZINC001608403257 1019178666 /nfs/dbraw/zinc/17/86/66/1019178666.db2.gz MZOUPTYRYFZAMO-SNVBAGLBSA-N -1 0 318.289 -0.068 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)C1CCS(=O)(=O)CC1 ZINC001608402233 1019178723 /nfs/dbraw/zinc/17/87/23/1019178723.db2.gz HGOQAYMLEUQWQW-JTQLQIEISA-N -1 0 315.351 -0.723 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)C(=O)c1ccc(O)cc1 ZINC001608401267 1019179437 /nfs/dbraw/zinc/17/94/37/1019179437.db2.gz CBCPFFBBRFOXPW-JTQLQIEISA-N -1 0 304.262 -0.564 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001608404242 1019179556 /nfs/dbraw/zinc/17/95/56/1019179556.db2.gz XYERTYWMORRYMX-ZYHUDNBSSA-N -1 0 301.306 -0.343 20 0 DBADRM O=C([O-])C1(NC(=O)c2cnc3sccn3c2=O)CC(CO)C1 ZINC001608404416 1019180583 /nfs/dbraw/zinc/18/05/83/1019180583.db2.gz XYCOOVFZHXKDEQ-UHFFFAOYSA-N -1 0 323.330 -0.289 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)C(=O)NC3CCC3)C2)nn1 ZINC001608409427 1019182183 /nfs/dbraw/zinc/18/21/83/1019182183.db2.gz QPOADJZBNQJBQN-SNVBAGLBSA-N -1 0 321.337 -0.192 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)NCc1ccco1 ZINC001608414345 1019182709 /nfs/dbraw/zinc/18/27/09/1019182709.db2.gz BKYTXECCOUKVNI-SCZZXKLOSA-N -1 0 311.294 -0.875 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@@H]2CCCC23CC3)C1 ZINC001608408793 1019182878 /nfs/dbraw/zinc/18/28/78/1019182878.db2.gz CMLHDWWVIGSCON-HBNTYKKESA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2csc(=O)[nH]2)C1 ZINC001608413706 1019183026 /nfs/dbraw/zinc/18/30/26/1019183026.db2.gz CHPPVAZOSCAHJV-RNFRBKRXSA-N -1 0 311.319 -0.490 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2cnon2)CC1 ZINC001608409779 1019183232 /nfs/dbraw/zinc/18/32/32/1019183232.db2.gz GFIMCYVPWFWGLN-RKDXNWHRSA-N -1 0 308.294 -0.489 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)C2=COCCO2)CC1 ZINC001608409594 1019183552 /nfs/dbraw/zinc/18/35/52/1019183552.db2.gz DLCYGOWNNBVPDE-QWRGUYRKSA-N -1 0 324.333 -0.298 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2csc(=O)[nH]2)C1 ZINC001608413705 1019183574 /nfs/dbraw/zinc/18/35/74/1019183574.db2.gz CHPPVAZOSCAHJV-NKWVEPMBSA-N -1 0 311.319 -0.490 20 0 DBADRM O=C(CNC(=O)NC1CCCCC1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001608420668 1019184211 /nfs/dbraw/zinc/18/42/11/1019184211.db2.gz VPVWDTVXOSNZTJ-WJONMLJTSA-N -1 0 313.354 -0.287 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@@H](O)Cn2ccnn2)cc1F ZINC001608423615 1019184605 /nfs/dbraw/zinc/18/46/05/1019184605.db2.gz CNPDKGMUOBOSCR-SECBINFHSA-N -1 0 308.269 -0.094 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(O)(CNC(=O)C(F)F)CC1 ZINC001608430951 1019184676 /nfs/dbraw/zinc/18/46/76/1019184676.db2.gz SIXNTNHGOZWQAH-HTQZYQBOSA-N -1 0 320.292 -0.558 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)c3cncnc3)CC2)n1 ZINC001608430322 1019184950 /nfs/dbraw/zinc/18/49/50/1019184950.db2.gz NEBLTLICLICMHL-UHFFFAOYSA-N -1 0 314.305 -0.239 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CNC(=O)c2cn[nH]n2)C2CC2)n1 ZINC001608424392 1019185446 /nfs/dbraw/zinc/18/54/46/1019185446.db2.gz MXVCHKNPXSYKNF-QMMMGPOBSA-N -1 0 317.309 -0.665 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2cnns2)C1 ZINC001608438742 1019187310 /nfs/dbraw/zinc/18/73/10/1019187310.db2.gz MEBMADREFHFVPG-HTQZYQBOSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])c1nccc(NCC=CCNC(=O)c2cnon2)n1 ZINC001608436483 1019188880 /nfs/dbraw/zinc/18/88/80/1019188880.db2.gz IDONCUZXMCPBQZ-UPHRSURJSA-N -1 0 304.266 -0.622 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001608437995 1019189144 /nfs/dbraw/zinc/18/91/44/1019189144.db2.gz FJZATWYAHAORRH-ZJUUUORDSA-N -1 0 320.305 -0.909 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)NCCS(=O)(=O)N1CCCC1 ZINC001608449020 1019190166 /nfs/dbraw/zinc/19/01/66/1019190166.db2.gz BKFDNEAMNFRRKQ-QMMMGPOBSA-N -1 0 311.335 -0.866 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCC(C(=O)NCCCO)CC1 ZINC001608444156 1019190296 /nfs/dbraw/zinc/19/02/96/1019190296.db2.gz JYEYTSZAMNMYKJ-JTQLQIEISA-N -1 0 319.333 -0.671 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCCOCCCO)n1 ZINC001608448868 1019190700 /nfs/dbraw/zinc/19/07/00/1019190700.db2.gz ZKNZQJFGISOXMF-UHFFFAOYSA-N -1 0 311.294 -0.767 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)NCCC2CCC2)CC1 ZINC001608440720 1019190730 /nfs/dbraw/zinc/19/07/30/1019190730.db2.gz MTCDPCWWDVYKSN-GFCCVEGCSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](CF)C1 ZINC001608458272 1019192867 /nfs/dbraw/zinc/19/28/67/1019192867.db2.gz GFTDGXWEKJISOY-OPRDCNLKSA-N -1 0 302.302 -0.590 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001608460191 1019193279 /nfs/dbraw/zinc/19/32/79/1019193279.db2.gz BBSMWGSFDIZSCX-GWOFURMSSA-N -1 0 324.333 -0.394 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CO)[C@@H]1CCCOC1 ZINC001608458306 1019193381 /nfs/dbraw/zinc/19/33/81/1019193381.db2.gz ICDHHXFUCQTVKZ-DDHJBXDOSA-N -1 0 316.354 -0.437 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)NC[C@]12C[C@H]1COC21CCC1 ZINC001608461325 1019194105 /nfs/dbraw/zinc/19/41/05/1019194105.db2.gz UQYPNIUVJZPJFB-JNIYBQFBSA-N -1 0 322.361 -0.101 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NC[C@@]1(OCCO)CCOC1 ZINC001608460772 1019194207 /nfs/dbraw/zinc/19/42/07/1019194207.db2.gz JROWRKTZNOSIBZ-BREBYQMCSA-N -1 0 302.327 -0.826 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2ccncn2)C1 ZINC001608492046 1019196115 /nfs/dbraw/zinc/19/61/15/1019196115.db2.gz SELOLZLZSRMDAP-LMLFDSFASA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)c3cncnc3)C2)n1 ZINC001608487835 1019196719 /nfs/dbraw/zinc/19/67/19/1019196719.db2.gz SSONHJAMTYHKAU-SNVBAGLBSA-N -1 0 314.305 -0.027 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)[C@H]2C[C@H]21 ZINC001608491275 1019197168 /nfs/dbraw/zinc/19/71/68/1019197168.db2.gz RFWBAKZGOVLMMR-NZFPMDFQSA-N -1 0 305.338 -0.149 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)[C@H]1CCCn2ncnc21 ZINC001608534589 1019200107 /nfs/dbraw/zinc/20/01/07/1019200107.db2.gz FVMUPROQGJMPIK-DTWKUNHWSA-N -1 0 310.310 -0.512 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)N(CCO)CCO ZINC001608528225 1019200770 /nfs/dbraw/zinc/20/07/70/1019200770.db2.gz QSUPORPQLQFODN-UHFFFAOYSA-N -1 0 302.308 -0.802 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)Nc3ncccn3)CC2)CCOC1 ZINC001608527826 1019201241 /nfs/dbraw/zinc/20/12/41/1019201241.db2.gz SHEGTRFSIYLUJW-AWEZNQCLSA-N -1 0 321.337 -0.130 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@@H](O)Cc1ccccc1 ZINC001608543321 1019201632 /nfs/dbraw/zinc/20/16/32/1019201632.db2.gz LJYOBOKKKVQDJR-RYUDHWBXSA-N -1 0 304.306 -0.549 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)C1(c2ccccn2)CC1 ZINC001608543319 1019201715 /nfs/dbraw/zinc/20/17/15/1019201715.db2.gz LJTGNHQHIDIWEE-SNVBAGLBSA-N -1 0 301.306 -0.026 20 0 DBADRM O=C([O-])[C@H](CNC(=O)N1CCS(=O)(=O)CC1)[C@H]1CCOC1 ZINC001608537031 1019202023 /nfs/dbraw/zinc/20/20/23/1019202023.db2.gz OJZAYFSYPWRALX-VHSXEESVSA-N -1 0 320.367 -0.836 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C2(O)CCSCC2)CC1 ZINC001608554330 1019203132 /nfs/dbraw/zinc/20/31/32/1019203132.db2.gz OUSUODIHRIKCKS-SNVBAGLBSA-N -1 0 303.380 -0.071 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)NOC[C@H]2CCOC2)CC1 ZINC001608556281 1019204077 /nfs/dbraw/zinc/20/40/77/1019204077.db2.gz ZIFMJIAYZAXJIN-ONGXEEELSA-N -1 0 302.327 -0.178 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)c2cccc3c2OCO3)C1 ZINC001608579707 1019206817 /nfs/dbraw/zinc/20/68/17/1019206817.db2.gz QADQAQSWDLQRJQ-UHFFFAOYSA-N -1 0 301.276 -0.765 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)c2ccco2)CCS(=O)(=O)CC1 ZINC001608577712 1019207194 /nfs/dbraw/zinc/20/71/94/1019207194.db2.gz PXOIEOXGUJQHPB-UHFFFAOYSA-N -1 0 323.348 -0.410 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)CCOCC2CCC2)CCOC1 ZINC001608577097 1019207762 /nfs/dbraw/zinc/20/77/62/1019207762.db2.gz STOVLOROENTAEN-GFCCVEGCSA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)C[C@H]2CCC3(CCC3)O2)C1 ZINC001608579456 1019208399 /nfs/dbraw/zinc/20/83/99/1019208399.db2.gz YDBUOWUJPZXSKA-MFKMUULPSA-N -1 0 319.379 -0.061 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)CCOCC2CCC2)CCOC1 ZINC001608577098 1019208664 /nfs/dbraw/zinc/20/86/64/1019208664.db2.gz STOVLOROENTAEN-LBPRGKRZSA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])[C@]1(CNS(=O)(=O)N2CCCOCC2)CCOC1 ZINC001608571467 1019209862 /nfs/dbraw/zinc/20/98/62/1019209862.db2.gz XJBKBWFDKWEYKQ-NSHDSACASA-N -1 0 308.356 -0.966 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCSC[C@@H]2CCO)CC1 ZINC001608572479 1019210048 /nfs/dbraw/zinc/21/00/48/1019210048.db2.gz ITNLHMOSPOLRBN-VIFPVBQESA-N -1 0 309.409 -0.019 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCc2nnc3n2CCC3)CCC1 ZINC001608580603 1019210214 /nfs/dbraw/zinc/21/02/14/1019210214.db2.gz KUOYISWENYTFKU-UHFFFAOYSA-N -1 0 300.340 -0.349 20 0 DBADRM O=C([O-])C12CCC(C(=O)NN3CCS(=O)(=O)CC3)(CC1)C2 ZINC001608582815 1019210274 /nfs/dbraw/zinc/21/02/74/1019210274.db2.gz IAMHINHZUCXXNN-UHFFFAOYSA-N -1 0 316.379 -0.217 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC001608590280 1019210920 /nfs/dbraw/zinc/21/09/20/1019210920.db2.gz UHRIVMGDQUCBMY-CQSZACIVSA-N -1 0 323.305 -0.643 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)C(=O)N3C4CCC3CC4)C2)C1 ZINC001608592348 1019211250 /nfs/dbraw/zinc/21/12/50/1019211250.db2.gz ZQNKCMWKNAJKPL-HKJQSTPSSA-N -1 0 321.333 -0.028 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CCO[C@@H](CCF)C2)C1 ZINC001608587964 1019211272 /nfs/dbraw/zinc/21/12/72/1019211272.db2.gz XYPREOVBSSZSQG-QWRGUYRKSA-N -1 0 314.313 -0.137 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001608594138 1019211407 /nfs/dbraw/zinc/21/14/07/1019211407.db2.gz AYQKMORKAXLBMX-QXEWZRGKSA-N -1 0 303.336 -0.629 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CCC3(C2)OCCO3)C1 ZINC001608586459 1019212060 /nfs/dbraw/zinc/21/20/60/1019212060.db2.gz JWFHEEAAAHDLHD-JTQLQIEISA-N -1 0 310.306 -0.749 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CCO[C@H](CCF)C2)C1 ZINC001608587965 1019212691 /nfs/dbraw/zinc/21/26/91/1019212691.db2.gz XYPREOVBSSZSQG-WDEREUQCSA-N -1 0 314.313 -0.137 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(Cc3cc(=O)n4[n-]ccc4n3)C2)C1 ZINC001608590178 1019212766 /nfs/dbraw/zinc/21/27/66/1019212766.db2.gz WXFBVTKCSHYBGI-CQSZACIVSA-N -1 0 317.305 -0.172 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)CNC(=O)C2CCCCC2)C1 ZINC001608602615 1019214994 /nfs/dbraw/zinc/21/49/94/1019214994.db2.gz RHCGKQWMORARLV-VXGBXAGGSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2CCCN(C3CC3)C2=O)C1 ZINC001608601052 1019215810 /nfs/dbraw/zinc/21/58/10/1019215810.db2.gz IJZSXIVSUMLRIY-USWWRNFRSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001608597335 1019216140 /nfs/dbraw/zinc/21/61/40/1019216140.db2.gz XCVATCFJMFBNNK-CMPLNLGQSA-N -1 0 309.322 -0.335 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)CNC(=O)C2CCCCC2)C1 ZINC001608602613 1019216412 /nfs/dbraw/zinc/21/64/12/1019216412.db2.gz RHCGKQWMORARLV-RYUDHWBXSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CC[C@H](C3CC3)C2)C1 ZINC001608601455 1019216528 /nfs/dbraw/zinc/21/65/28/1019216528.db2.gz KWIVRNBAQIPVAQ-QJPTWQEYSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1CC(=O)N1CCOC[C@H]1C1CC1 ZINC001608597828 1019216659 /nfs/dbraw/zinc/21/66/59/1019216659.db2.gz ZLOONQLRZRENMN-OBJOEFQTSA-N -1 0 312.366 -0.466 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1cnc(N2CCOCC2)s1 ZINC001608608378 1019218142 /nfs/dbraw/zinc/21/81/42/1019218142.db2.gz YZXGPYJOGNFODS-MWLCHTKSSA-N -1 0 313.379 -0.001 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1cc[nH]c1 ZINC001608609594 1019218423 /nfs/dbraw/zinc/21/84/23/1019218423.db2.gz CPBNMBFGLBHVBW-MNOVXSKESA-N -1 0 309.322 -0.714 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)CCCn2ccccc2=O)C1 ZINC001608603762 1019218548 /nfs/dbraw/zinc/21/85/48/1019218548.db2.gz ZYBQJBBQWZBHLB-VXGBXAGGSA-N -1 0 308.334 -0.078 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)Cc2ccc[nH]2)C1 ZINC001608609674 1019218966 /nfs/dbraw/zinc/21/89/66/1019218966.db2.gz COZHMNLWVKBXDJ-VXGBXAGGSA-N -1 0 305.334 -0.148 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)Cn2ccnc2)CC1 ZINC001608610709 1019221249 /nfs/dbraw/zinc/22/12/49/1019221249.db2.gz KUDVTGBLBOHGSC-RYUDHWBXSA-N -1 0 320.349 -0.289 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)C2=COCCO2)CC1 ZINC001608610677 1019221846 /nfs/dbraw/zinc/22/18/46/1019221846.db2.gz KQCXNCOKYHGLCY-QWRGUYRKSA-N -1 0 324.333 -0.344 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2C1 ZINC001608610509 1019221947 /nfs/dbraw/zinc/22/19/47/1019221947.db2.gz JCEMIZISZGRSNQ-RGOKHQFPSA-N -1 0 320.305 -0.679 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 ZINC001608610980 1019222478 /nfs/dbraw/zinc/22/24/78/1019222478.db2.gz MFUIFSSAZPTBJL-NEPJUHHUSA-N -1 0 319.317 -0.675 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001608610307 1019222689 /nfs/dbraw/zinc/22/26/89/1019222689.db2.gz HYGLQHHFOCWJDP-NXEZZACHSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccnnc3)C[C@H]21 ZINC001608610131 1019222699 /nfs/dbraw/zinc/22/26/99/1019222699.db2.gz HFNLOYDKJSBDAW-LVEVGFFFSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC/C=C\CNc1ccc2nnnn2n1 ZINC001608610180 1019223464 /nfs/dbraw/zinc/22/34/64/1019223464.db2.gz IAACQIAKLNXYHX-YBVDZREESA-N -1 0 317.309 -0.676 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(Cc2nnc(C3CC3)[nH]2)C1 ZINC001608611772 1019224352 /nfs/dbraw/zinc/22/43/52/1019224352.db2.gz RHEAGMCBDANHEN-NXEZZACHSA-N -1 0 305.338 -0.297 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001608612007 1019225394 /nfs/dbraw/zinc/22/53/94/1019225394.db2.gz XIEVXNSODNNDQU-ZRHTZCORSA-N -1 0 322.361 -0.390 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2cnon2)CC1 ZINC001608612069 1019229198 /nfs/dbraw/zinc/22/91/98/1019229198.db2.gz SKRYZAYBHCWYKV-IUCAKERBSA-N -1 0 308.294 -0.489 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001608612711 1019229334 /nfs/dbraw/zinc/22/93/34/1019229334.db2.gz ZGRAMJUYKALSJN-NXEZZACHSA-N -1 0 318.333 -0.052 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCOC2(CN(C(=O)C(F)F)C2)C1 ZINC001608612377 1019229426 /nfs/dbraw/zinc/22/94/26/1019229426.db2.gz VEJXEFISLCYEAE-SFYZADRCSA-N -1 0 318.276 -0.588 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)Cc2cccnc2)C1 ZINC001608612046 1019229495 /nfs/dbraw/zinc/22/94/95/1019229495.db2.gz SGVGUDGRDYEGNJ-STQMWFEESA-N -1 0 317.345 -0.081 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2C1 ZINC001608612307 1019229640 /nfs/dbraw/zinc/22/96/40/1019229640.db2.gz USZQGLSHUJRZCY-LMLFDSFASA-N -1 0 318.333 -0.339 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)Cc2cncs2)C1 ZINC001608612084 1019229801 /nfs/dbraw/zinc/22/98/01/1019229801.db2.gz SOTJBGLVCKLUQT-UWVGGRQHSA-N -1 0 309.347 -0.267 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCSC[C@@H]2CO)C1=O ZINC001608628657 1019231738 /nfs/dbraw/zinc/23/17/38/1019231738.db2.gz HFEWDUVYVMPRKA-UWVGGRQHSA-N -1 0 316.379 -0.754 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)NCCn1ncnn1 ZINC001608626162 1019231826 /nfs/dbraw/zinc/23/18/26/1019231826.db2.gz GNPIFCJVSAMEOW-RKDXNWHRSA-N -1 0 303.344 -0.764 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2C[C@H](O)CC(F)(F)C2)C1=O ZINC001608628594 1019231978 /nfs/dbraw/zinc/23/19/78/1019231978.db2.gz GKQBNAMNYBYEDF-RKDXNWHRSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H]1CCCNC1=O ZINC001608626453 1019232895 /nfs/dbraw/zinc/23/28/95/1019232895.db2.gz AFKJWPGHGHXVDN-UTLUCORTSA-N -1 0 304.368 -0.172 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCOCC2)c2ccccc2O1 ZINC001608640847 1019233941 /nfs/dbraw/zinc/23/39/41/1019233941.db2.gz AWUGRXWUBAHFOH-GFCCVEGCSA-N -1 0 320.301 -0.276 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2cnnn2)c2ccc(F)cc2O1 ZINC001608643038 1019234593 /nfs/dbraw/zinc/23/45/93/1019234593.db2.gz OBIHSPXGMQBTSM-JTQLQIEISA-N -1 0 307.241 -0.309 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCCSC1 ZINC001608647764 1019235569 /nfs/dbraw/zinc/23/55/69/1019235569.db2.gz WAAOJBQSVJBLMI-IUCAKERBSA-N -1 0 307.393 -0.160 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCCSC1 ZINC001608647763 1019235930 /nfs/dbraw/zinc/23/59/30/1019235930.db2.gz WAAOJBQSVJBLMI-DTWKUNHWSA-N -1 0 307.393 -0.160 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1cncc2c1CCCC2 ZINC001608675359 1019237261 /nfs/dbraw/zinc/23/72/61/1019237261.db2.gz FOBYFZXIUIVFNT-SNVBAGLBSA-N -1 0 321.333 -0.149 20 0 DBADRM O=C([O-])/C=C1\SCC(=O)N1CCCN1CCn2ncnc2C1 ZINC001608655775 1019237614 /nfs/dbraw/zinc/23/76/14/1019237614.db2.gz LLOZAMUMPJXMJH-SDQBBNPISA-N -1 0 323.378 -0.015 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)CCOCc1ccccc1 ZINC001608675426 1019237807 /nfs/dbraw/zinc/23/78/07/1019237807.db2.gz KRLXXYAEKRZLER-GFCCVEGCSA-N -1 0 317.363 -0.042 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)c1ccc(Cc2nnc[nH]2)cc1 ZINC001608675210 1019237986 /nfs/dbraw/zinc/23/79/86/1019237986.db2.gz HILDWJWNWHNHEG-NSHDSACASA-N -1 0 304.306 -0.039 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)CCCS(=O)(=O)N1CCCC1 ZINC001608675177 1019238093 /nfs/dbraw/zinc/23/80/93/1019238093.db2.gz CQRVRWRSISNZQE-SNVBAGLBSA-N -1 0 322.383 -0.856 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC001608673831 1019238406 /nfs/dbraw/zinc/23/84/06/1019238406.db2.gz HHAVXIVKRDPEMA-YFKPBYRVSA-N -1 0 320.223 -0.006 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C1CN(C(=O)C2CCCCC2)C1 ZINC001608676312 1019239140 /nfs/dbraw/zinc/23/91/40/1019239140.db2.gz QZBFHIVFGOACBE-LBPRGKRZSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)c1c[nH]c2ncncc12 ZINC001608677076 1019239834 /nfs/dbraw/zinc/23/98/34/1019239834.db2.gz RSDKIGNFJQLNFT-ZCFIWIBFSA-N -1 0 300.296 -0.977 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)CCOC1 ZINC001608682754 1019240354 /nfs/dbraw/zinc/24/03/54/1019240354.db2.gz IGQJPUKGQJQUFE-UFFDXJJYSA-N -1 0 311.334 -0.022 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)c1ccc(Cl)nc1F ZINC001608676796 1019240377 /nfs/dbraw/zinc/24/03/77/1019240377.db2.gz CRIIYLYPYOETCM-RXMQYKEDSA-N -1 0 312.706 -0.012 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@H]2C[C@@H](O)C2)CCS(=O)(=O)CC1 ZINC001608685290 1019240574 /nfs/dbraw/zinc/24/05/74/1019240574.db2.gz GSLFHBVIYQDLEL-DTORHVGOSA-N -1 0 305.352 -0.704 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@@H]2CCCO2)CCS(=O)(=O)CC1 ZINC001608682907 1019240602 /nfs/dbraw/zinc/24/06/02/1019240602.db2.gz QTMIUUWJRMIACF-VIFPVBQESA-N -1 0 305.352 -0.296 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CCCNC(=O)C1CC1 ZINC001608689420 1019241853 /nfs/dbraw/zinc/24/18/53/1019241853.db2.gz VNQXEOZPDMTEJY-JTQLQIEISA-N -1 0 311.338 -0.906 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H](C)C1CCC1 ZINC001503228174 1019241786 /nfs/dbraw/zinc/24/17/86/1019241786.db2.gz IWUFQAMGEXKZSE-YUMQZZPRSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cncc2[nH]ccc21 ZINC001608689989 1019242754 /nfs/dbraw/zinc/24/27/54/1019242754.db2.gz VHZRHPRXCIYJLZ-NSHDSACASA-N -1 0 302.290 -0.022 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCn2cncc2C1 ZINC001608689472 1019242949 /nfs/dbraw/zinc/24/29/49/1019242949.db2.gz WTBKGXIWOKGZRY-ONGXEEELSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])CC1CC(NC(=O)N2C[C@H](CCO)[C@H](CO)C2)C1 ZINC001608691813 1019243262 /nfs/dbraw/zinc/24/32/62/1019243262.db2.gz WEKXYBSHANETJN-YECOWLKZSA-N -1 0 300.355 -0.128 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)COCc1cc[nH]c(=O)c1 ZINC001608689271 1019243368 /nfs/dbraw/zinc/24/33/68/1019243368.db2.gz ANPPUZOQGIXQHS-SNVBAGLBSA-N -1 0 323.305 -0.895 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1CC(=O)NC(C1CC1)C1CC1 ZINC001608689806 1019243554 /nfs/dbraw/zinc/24/35/54/1019243554.db2.gz NNXGLEAHAIVYGZ-NSHDSACASA-N -1 0 309.366 -0.434 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCC(=O)c2cccn21 ZINC001608689479 1019243851 /nfs/dbraw/zinc/24/38/51/1019243851.db2.gz XAISVWRJWUWOBM-GHMZBOCLSA-N -1 0 319.317 -0.193 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cc1ccc2c[nH]nc2c1 ZINC001608689455 1019244206 /nfs/dbraw/zinc/24/42/06/1019244206.db2.gz DEFBBGLGNSBZSS-LBPRGKRZSA-N -1 0 316.317 -0.093 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCCn2cccc2)CCO1 ZINC001608698593 1019244811 /nfs/dbraw/zinc/24/48/11/1019244811.db2.gz IDVNBUJTVRLKHB-LLVKDONJSA-N -1 0 309.322 -0.694 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)nn2)CCO1 ZINC001608700229 1019246568 /nfs/dbraw/zinc/24/65/68/1019246568.db2.gz AQVNTXNFKDQONP-JTQLQIEISA-N -1 0 317.305 -0.022 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NC[C@@H]1CCCC[C@H]1O ZINC001574730625 1019246630 /nfs/dbraw/zinc/24/66/30/1019246630.db2.gz PYBWWZBPWDHJCL-NWDGAFQWSA-N -1 0 318.370 -0.046 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)c2ccc(CO)nc2)C1=O ZINC001574723573 1019247062 /nfs/dbraw/zinc/24/70/62/1019247062.db2.gz JBAGTEUONFGPEA-LBPRGKRZSA-N -1 0 321.333 -0.231 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001608701416 1019247627 /nfs/dbraw/zinc/24/76/27/1019247627.db2.gz AZXRIZZSROTLDU-UWVGGRQHSA-N -1 0 322.321 -0.535 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)CC1(O)CCC1 ZINC001608702475 1019247722 /nfs/dbraw/zinc/24/77/22/1019247722.db2.gz NXSLUOUYCIDRKV-SECBINFHSA-N -1 0 305.352 -0.608 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C[C@H](O)CC1(O)CCOCC1 ZINC001608701346 1019247977 /nfs/dbraw/zinc/24/79/77/1019247977.db2.gz YXGJTLFIFMHQCB-VXGBXAGGSA-N -1 0 303.355 -0.546 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001608703315 1019248144 /nfs/dbraw/zinc/24/81/44/1019248144.db2.gz RBBUBBPAXKPCOG-LUTQBAROSA-N -1 0 317.363 -0.488 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001608711861 1019248212 /nfs/dbraw/zinc/24/82/12/1019248212.db2.gz IECIQXDIMQFCDP-NEPJUHHUSA-N -1 0 323.411 -0.116 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)C12CCN(CC1)C2 ZINC001608702414 1019248327 /nfs/dbraw/zinc/24/83/27/1019248327.db2.gz MMKNNUSGUQVXPM-SNVBAGLBSA-N -1 0 316.379 -0.818 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)nn1 ZINC001574737955 1019248492 /nfs/dbraw/zinc/24/84/92/1019248492.db2.gz IOTRSKSZCRCMOW-SECBINFHSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001608721270 1019250135 /nfs/dbraw/zinc/25/01/35/1019250135.db2.gz GYHRWCFMMMOLET-IUCAKERBSA-N -1 0 313.310 -0.933 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1C[C@H](O)CC(F)(F)C1 ZINC001608712742 1019250183 /nfs/dbraw/zinc/25/01/83/1019250183.db2.gz OBKXQLIOSQSCOE-MRVPVSSYSA-N -1 0 308.281 -0.414 20 0 DBADRM O=C([O-])CCCCNC(=O)CNS(=O)(=O)c1cccnc1 ZINC001608712991 1019250377 /nfs/dbraw/zinc/25/03/77/1019250377.db2.gz XFOQNAVPNNPKNO-UHFFFAOYSA-N -1 0 315.351 -0.269 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCCC[C@H]1C1OCCO1 ZINC001608714370 1019251072 /nfs/dbraw/zinc/25/10/72/1019251072.db2.gz LTDDDKVWLPOTQK-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)CCn2cnccc2=O)C1=O ZINC001608724637 1019251892 /nfs/dbraw/zinc/25/18/92/1019251892.db2.gz ROUJAMRWAJQWPH-SNVBAGLBSA-N -1 0 323.305 -0.748 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)CCOC1CCOCC1 ZINC001608727512 1019251897 /nfs/dbraw/zinc/25/18/97/1019251897.db2.gz SRRONFVVOWDHMY-UHFFFAOYSA-N -1 0 316.354 -0.331 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](N2CCN3C(=O)NC[C@H]3C2)C1=O ZINC001608726038 1019252245 /nfs/dbraw/zinc/25/22/45/1019252245.db2.gz YZVCNMDFCYENFI-WDEREUQCSA-N -1 0 310.354 -0.839 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCO[C@H](CCF)C1 ZINC001608727209 1019252558 /nfs/dbraw/zinc/25/25/58/1019252558.db2.gz IORHFDTWAQFCOR-SNVBAGLBSA-N -1 0 319.333 -0.263 20 0 DBADRM O=C([O-])CCN1CCC[C@H](OC(=O)c2cc3n(n2)CCO3)C1=O ZINC001608726490 1019254683 /nfs/dbraw/zinc/25/46/83/1019254683.db2.gz PONSNOSAKWKWSD-JTQLQIEISA-N -1 0 323.305 -0.102 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@@H]1COC[C@@H]1C1CC1 ZINC001608728046 1019255727 /nfs/dbraw/zinc/25/57/27/1019255727.db2.gz OIGZPUILIGLHLO-GHMZBOCLSA-N -1 0 313.354 -0.308 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001608729424 1019256373 /nfs/dbraw/zinc/25/63/73/1019256373.db2.gz JZNTUIVWENSWDI-QMMMGPOBSA-N -1 0 305.308 -0.931 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@@H](CCO)C1CC1 ZINC001608727866 1019256409 /nfs/dbraw/zinc/25/64/09/1019256409.db2.gz HULXRWRNVNJLQV-JTQLQIEISA-N -1 0 301.343 -0.572 20 0 DBADRM O=C([O-])CCSCCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001608733314 1019257390 /nfs/dbraw/zinc/25/73/90/1019257390.db2.gz URBPXNOHBMMRKX-VIFPVBQESA-N -1 0 313.383 -0.050 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCCOC(F)(F)F ZINC001608728220 1019257518 /nfs/dbraw/zinc/25/75/18/1019257518.db2.gz VUYHKKFSPGLVPK-UHFFFAOYSA-N -1 0 315.248 -0.197 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)C1(O)Cc2ccccc2C1 ZINC001608729147 1019257554 /nfs/dbraw/zinc/25/75/54/1019257554.db2.gz BIEPBEDPUNODPS-UHFFFAOYSA-N -1 0 307.302 -0.350 20 0 DBADRM O=C([O-])CCc1ccc(NC(=O)C(=O)N[C@H]2CCNC2=O)cc1 ZINC001608737661 1019258133 /nfs/dbraw/zinc/25/81/33/1019258133.db2.gz PHSVEAOUMSXMMK-NSHDSACASA-N -1 0 319.317 -0.353 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CC3(C2)CS(=O)(=O)C3)O1 ZINC001608735791 1019258368 /nfs/dbraw/zinc/25/83/68/1019258368.db2.gz VGYRTKLUVFFITO-VHSXEESVSA-N -1 0 317.363 -0.344 20 0 DBADRM O=C([O-])C[N@@H+](CCN1CCOCC1)C[C@@H](O)C(F)(F)F ZINC001608745670 1019259397 /nfs/dbraw/zinc/25/93/97/1019259397.db2.gz FBOMHSLGHCBBNY-SECBINFHSA-N -1 0 300.277 -0.372 20 0 DBADRM NS(=O)(=O)C1(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC001574804701 1019259455 /nfs/dbraw/zinc/25/94/55/1019259455.db2.gz PLVAZVKHGZJCJH-JTQLQIEISA-N -1 0 312.347 -0.208 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)CC1(O)CCCC1 ZINC001608750153 1019259857 /nfs/dbraw/zinc/25/98/57/1019259857.db2.gz ACOPZAFUXJLLDS-NEPJUHHUSA-N -1 0 314.382 -0.292 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001608745463 1019259916 /nfs/dbraw/zinc/25/99/16/1019259916.db2.gz NBCHEPABLNWNTO-LERXQTSPSA-N -1 0 310.350 -0.543 20 0 DBADRM O=C([O-])CN1CCN(C(=O)c2cccc(-n3cncn3)n2)CC1 ZINC001608749306 1019261641 /nfs/dbraw/zinc/26/16/41/1019261641.db2.gz XSXBKCFXDJHJOA-UHFFFAOYSA-N -1 0 316.321 -0.495 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)CC1(O)CCCC1 ZINC001608750155 1019261689 /nfs/dbraw/zinc/26/16/89/1019261689.db2.gz ACOPZAFUXJLLDS-RYUDHWBXSA-N -1 0 314.382 -0.292 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1Cc1nnc2n1CCCC2 ZINC001608750596 1019262886 /nfs/dbraw/zinc/26/28/86/1019262886.db2.gz GZXAYJCPVMBZKN-SNVBAGLBSA-N -1 0 307.354 -0.220 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CCc2nncn2C1 ZINC001608750887 1019263734 /nfs/dbraw/zinc/26/37/34/1019263734.db2.gz QQFOCTWIRPGDPO-VHSXEESVSA-N -1 0 321.337 -0.968 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1nccn2ccnc12 ZINC001608751557 1019263900 /nfs/dbraw/zinc/26/39/00/1019263900.db2.gz SRUBHJCAUAHNAT-SECBINFHSA-N -1 0 317.305 -0.465 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cn2c(n1)COCC2 ZINC001608751713 1019264516 /nfs/dbraw/zinc/26/45/16/1019264516.db2.gz XFOYNEKJEGWECF-JTQLQIEISA-N -1 0 322.321 -0.781 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC001608752361 1019264615 /nfs/dbraw/zinc/26/46/15/1019264615.db2.gz YFOPJWKOZDRQEV-SCSAIBSYSA-N -1 0 321.544 -0.575 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1cccc2c1OCC2 ZINC001608756887 1019266057 /nfs/dbraw/zinc/26/60/57/1019266057.db2.gz HBGJMRXSESFZMH-UHFFFAOYSA-N -1 0 308.290 -0.223 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)CSC[C@H]1CCCCO1 ZINC001608753113 1019266081 /nfs/dbraw/zinc/26/60/81/1019266081.db2.gz KHANWCRSSFRIAR-SECBINFHSA-N -1 0 304.368 -0.394 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@H](O)Cc1ccccc1Cl ZINC001608753007 1019266268 /nfs/dbraw/zinc/26/62/68/1019266268.db2.gz YNPOJYJTCBVQQI-SNVBAGLBSA-N -1 0 315.709 -0.013 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C[C@@H]2CCNC2=O)cc1 ZINC001608755141 1019266366 /nfs/dbraw/zinc/26/63/66/1019266366.db2.gz YVVWXZWWFYKKFE-JTQLQIEISA-N -1 0 319.317 -0.034 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C[C@H]2CCNC2=O)cc1 ZINC001608755142 1019267284 /nfs/dbraw/zinc/26/72/84/1019267284.db2.gz YVVWXZWWFYKKFE-SNVBAGLBSA-N -1 0 319.317 -0.034 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1cnc(C2CC2)nc1 ZINC001608757048 1019267302 /nfs/dbraw/zinc/26/73/02/1019267302.db2.gz SOIWLAOAIQOMCV-UHFFFAOYSA-N -1 0 308.294 -0.490 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ncc2cc(Cl)ccn21 ZINC001608752842 1019267326 /nfs/dbraw/zinc/26/73/26/1019267326.db2.gz UIDNAWNBPCYVBX-UHFFFAOYSA-N -1 0 310.697 -0.082 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)[C@@H]2CCNC2=O)cc1 ZINC001608753840 1019267676 /nfs/dbraw/zinc/26/76/76/1019267676.db2.gz PJYDRATVEVUPIV-LLVKDONJSA-N -1 0 319.317 -0.496 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc2c(c1)nc[nH]c2=O ZINC001608752875 1019267926 /nfs/dbraw/zinc/26/79/26/1019267926.db2.gz UVWXTJXWAQGLQU-UHFFFAOYSA-N -1 0 304.262 -0.734 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1cnc(CC2CC2)nc1 ZINC001608753120 1019268049 /nfs/dbraw/zinc/26/80/49/1019268049.db2.gz KTBYSFFQBLPKMU-UHFFFAOYSA-N -1 0 307.310 -0.249 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)[C@H]2CCCNC2=O)cc1 ZINC001608755134 1019268395 /nfs/dbraw/zinc/26/83/95/1019268395.db2.gz YRQYGWBNMKJHLS-NSHDSACASA-N -1 0 319.317 -0.034 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1coc(C2CCOCC2)n1 ZINC001608752843 1019268436 /nfs/dbraw/zinc/26/84/36/1019268436.db2.gz ULIXPGWCPKBHMK-UHFFFAOYSA-N -1 0 311.294 -0.501 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC001608760433 1019270242 /nfs/dbraw/zinc/27/02/42/1019270242.db2.gz HHYZKNIXWFTUGU-VIFPVBQESA-N -1 0 307.262 -0.313 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N2CCN(CCO)CC2)c1 ZINC001608763335 1019270618 /nfs/dbraw/zinc/27/06/18/1019270618.db2.gz ZUXYYMVDHQLKMS-UHFFFAOYSA-N -1 0 308.334 -0.100 20 0 DBADRM O=C([O-])CSCCC(=O)N[C@H](CO)[C@@H](O)c1cccnc1 ZINC001608766903 1019270703 /nfs/dbraw/zinc/27/07/03/1019270703.db2.gz PZUFVLRCAMTWPS-MFKMUULPSA-N -1 0 314.363 -0.200 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)C(=O)N1CCOCC1 ZINC001608788326 1019271162 /nfs/dbraw/zinc/27/11/62/1019271162.db2.gz LBHODRQDCUFASG-UHFFFAOYSA-N -1 0 306.318 -0.211 20 0 DBADRM O=C([O-])CSCCC(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001608766736 1019271203 /nfs/dbraw/zinc/27/12/03/1019271203.db2.gz BPMZATXIGANCKQ-LBPRGKRZSA-N -1 0 318.351 -0.468 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)N2CCNC(=O)CC2)c1 ZINC001608787545 1019271371 /nfs/dbraw/zinc/27/13/71/1019271371.db2.gz VQVCBMRAUNVOMJ-UHFFFAOYSA-N -1 0 312.347 -0.176 20 0 DBADRM O=C([O-])CSCCC(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001608766196 1019271875 /nfs/dbraw/zinc/27/18/75/1019271875.db2.gz YMZUVGXQZKGMSB-UHFFFAOYSA-N -1 0 315.351 -0.605 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N2CC[C@H](O)[C@H](CO)C2)cc1 ZINC001608758092 1019271968 /nfs/dbraw/zinc/27/19/68/1019271968.db2.gz KUNISWIFLACYQL-AAEUAGOBSA-N -1 0 309.318 -0.035 20 0 DBADRM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NCCO)cc2)[nH]1 ZINC001608776130 1019272211 /nfs/dbraw/zinc/27/22/11/1019272211.db2.gz TURSFWLEAAOERG-UHFFFAOYSA-N -1 0 305.290 -0.485 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)CC[C@@H]2NC(=O)NC2=O)n1 ZINC001608791896 1019272380 /nfs/dbraw/zinc/27/23/80/1019272380.db2.gz FEJWQQWVJJZJJR-LURJTMIESA-N -1 0 312.307 -0.303 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@H]2CCCS(=O)(=O)C2)n[nH]1 ZINC001608793494 1019273471 /nfs/dbraw/zinc/27/34/71/1019273471.db2.gz XTJJRJZLNCXSKP-LURJTMIESA-N -1 0 302.312 -0.805 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCC[C@@H](OCCO)C2)C1 ZINC001608824430 1019285245 /nfs/dbraw/zinc/28/52/45/1019285245.db2.gz VNUXTOLBERNJCF-MXWKQRLJSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2CO[C@H](C3CC3)C2)cn1 ZINC001608798156 1019274179 /nfs/dbraw/zinc/27/41/79/1019274179.db2.gz NCLPHYRQAAWLBO-KOLCDFICSA-N -1 0 315.351 -0.187 20 0 DBADRM O=C([O-])Cn1cc(CC[NH+]2CCC(c3n[nH]c(=O)[n-]3)CC2)nn1 ZINC001608796170 1019275951 /nfs/dbraw/zinc/27/59/51/1019275951.db2.gz IGALNONAVWCCRX-UHFFFAOYSA-N -1 0 321.341 -0.392 20 0 DBADRM O=C([O-])Cn1cc(NC(=S)NCCN2CCOCC2)cn1 ZINC001608797913 1019276656 /nfs/dbraw/zinc/27/66/56/1019276656.db2.gz VRBRTWBAEGGMNN-UHFFFAOYSA-N -1 0 313.383 -0.414 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CCOC1CCOCC1 ZINC001608803534 1019277850 /nfs/dbraw/zinc/27/78/50/1019277850.db2.gz ARKGEBUUSNHKBI-MNOVXSKESA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)O1 ZINC001608803880 1019278113 /nfs/dbraw/zinc/27/81/13/1019278113.db2.gz PYTJBIAWZGDEHF-XQHKEYJVSA-N -1 0 312.366 -0.324 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2nc([C@H]3CCOC3)n[nH]2)O1 ZINC001608804399 1019278543 /nfs/dbraw/zinc/27/85/43/1019278543.db2.gz WIBXOOIISQRSQO-YIZRAAEISA-N -1 0 310.310 -0.443 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC(C3CS(=O)(=O)C3)C2)C1 ZINC001608803649 1019278807 /nfs/dbraw/zinc/27/88/07/1019278807.db2.gz FBWSKRVXACIWFA-DTWKUNHWSA-N -1 0 301.364 -0.010 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)C[C@H]1CCCC2(CCC2)O1 ZINC001608801559 1019279140 /nfs/dbraw/zinc/27/91/40/1019279140.db2.gz AWEBXRBYMDXNAP-ZJUUUORDSA-N -1 0 307.368 -0.157 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2C[C@H](CO)[C@@H](CCO)C2)C1 ZINC001608805446 1019279671 /nfs/dbraw/zinc/27/96/71/1019279671.db2.gz QOGCHLRAFWGFMV-KXNHARMFSA-N -1 0 321.395 -0.508 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2CN2CCOCC2)O1 ZINC001608804088 1019279938 /nfs/dbraw/zinc/27/99/38/1019279938.db2.gz WPBPUMWSVPFVER-UPJWGTAASA-N -1 0 312.366 -0.058 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC2CCC(=O)CC2)cn1 ZINC001608798268 1019280093 /nfs/dbraw/zinc/28/00/93/1019280093.db2.gz UDCMZDWPSIFDRM-UHFFFAOYSA-N -1 0 301.324 -0.242 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCN3C(=O)N=NC3C2)n1 ZINC001608798594 1019280148 /nfs/dbraw/zinc/28/01/48/1019280148.db2.gz AZXGZLHMLMRZHQ-UHFFFAOYSA-N -1 0 307.270 -0.688 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001608813427 1019281344 /nfs/dbraw/zinc/28/13/44/1019281344.db2.gz PRUBLMUVVOQLIY-SFGNSQDASA-N -1 0 320.342 -0.424 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC001608815486 1019282125 /nfs/dbraw/zinc/28/21/25/1019282125.db2.gz AJGAGFSWTKHFRK-LOWVWBTDSA-N -1 0 318.395 -0.366 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2C[C@H](CO)[C@H](CCO)C2)C1 ZINC001608809885 1019282324 /nfs/dbraw/zinc/28/23/24/1019282324.db2.gz QRYJYMJTENLVNB-YVECIDJPSA-N -1 0 315.366 -0.294 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)Cn2ncnn2)C1 ZINC001608812063 1019282433 /nfs/dbraw/zinc/28/24/33/1019282433.db2.gz QFLBBAVHUUBNOF-RQJHMYQMSA-N -1 0 307.232 -0.215 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)CCC(F)F ZINC001608813435 1019282594 /nfs/dbraw/zinc/28/25/94/1019282594.db2.gz QARZXNLGTUWHMJ-BQBZGAKWSA-N -1 0 319.264 -0.362 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N(C[C@H]2C[C@@H]3COC[C@@H]3O2)C1=O ZINC001608813631 1019282798 /nfs/dbraw/zinc/28/27/98/1019282798.db2.gz AVOCZQLPUOLILK-JHMKVRFYSA-N -1 0 310.306 -0.569 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)Cc3ccc(-n4cnnn4)cc3)C[C@@H]21 ZINC001608816176 1019283300 /nfs/dbraw/zinc/28/33/00/1019283300.db2.gz XUETWTHKJCLERV-IMRBUKKESA-N -1 0 313.317 -0.006 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1COc2ccc(O)cc2O1 ZINC001608810350 1019283353 /nfs/dbraw/zinc/28/33/53/1019283353.db2.gz UHFATHZROHXPAJ-PTRXPTGYSA-N -1 0 309.274 -0.422 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](C(=O)N2CCO[C@@H](CN3CCOCC3)C2)C1 ZINC001608821117 1019285689 /nfs/dbraw/zinc/28/56/89/1019285689.db2.gz FCBJYUVWVFALJT-XQQFMLRXSA-N -1 0 312.366 -0.343 20 0 DBADRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)c1cnn(C[C@H](O)CO)c1 ZINC001608819421 1019286799 /nfs/dbraw/zinc/28/67/99/1019286799.db2.gz DTJVDHDJFQTOHC-DTWKUNHWSA-N -1 0 319.264 -0.829 20 0 DBADRM O=C(NCCNC(=O)[C@H]1CC=CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001574864806 1019286579 /nfs/dbraw/zinc/28/65/79/1019286579.db2.gz NLLXHXANORSLMT-QMMMGPOBSA-N -1 0 307.310 -0.515 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@H](CO)[C@@H](O)c2cccnc2)on1 ZINC001608836848 1019288362 /nfs/dbraw/zinc/28/83/62/1019288362.db2.gz WAEMPQCCNIGPLP-KOLCDFICSA-N -1 0 307.262 -0.408 20 0 DBADRM O=C([O-])c1cc(F)cc(C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)c1 ZINC001608848120 1019288707 /nfs/dbraw/zinc/28/87/07/1019288707.db2.gz AMGLDVBWDYLRKZ-LLVKDONJSA-N -1 0 322.292 -0.153 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)n[nH]1 ZINC001608859690 1019288850 /nfs/dbraw/zinc/28/88/50/1019288850.db2.gz DUWSDURMJQBWHX-OHJQTGGRSA-N -1 0 305.337 -0.998 20 0 DBADRM O=C([O-])c1cc(C2CN(C(=O)CCN3CCOC3=O)C2)[nH]n1 ZINC001608840089 1019289298 /nfs/dbraw/zinc/28/92/98/1019289298.db2.gz HASAMTHJZHZPSD-UHFFFAOYSA-N -1 0 308.294 -0.124 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H](CO)[C@@H]2CCOC2)c[nH]1 ZINC001608860056 1019289881 /nfs/dbraw/zinc/28/98/81/1019289881.db2.gz TUOXAJUSXCOZTI-GMSGAONNSA-N -1 0 304.324 -0.611 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@@H](CO)[C@H](O)c2cccnc2)on1 ZINC001608836847 1019290925 /nfs/dbraw/zinc/29/09/25/1019290925.db2.gz WAEMPQCCNIGPLP-GXSJLCMTSA-N -1 0 307.262 -0.408 20 0 DBADRM O=C([O-])c1ccc(CN2CCN3[C@@H](CNS3(=O)=O)C2)nc1 ZINC001608882625 1019291793 /nfs/dbraw/zinc/29/17/93/1019291793.db2.gz HKPQYVIXUATRMY-NSHDSACASA-N -1 0 312.351 -0.886 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCc2nnc3n2CCNC3=O)[nH]1 ZINC001608874556 1019292563 /nfs/dbraw/zinc/29/25/63/1019292563.db2.gz HTPABSLOYKXNTG-UHFFFAOYSA-N -1 0 318.293 -0.980 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC[C@]2(O)CCCOC2)n[nH]1 ZINC001608861685 1019293536 /nfs/dbraw/zinc/29/35/36/1019293536.db2.gz KIORDHLBFHAGIN-LLVKDONJSA-N -1 0 319.339 -0.682 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCO[C@H]2CC2(F)F)n[nH]1 ZINC001608861935 1019293673 /nfs/dbraw/zinc/29/36/73/1019293673.db2.gz ZNHPPVPKFXXSGS-LURJTMIESA-N -1 0 311.266 -0.190 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CCC[C@@H](n3ccnn3)C2)n1 ZINC001608870380 1019294199 /nfs/dbraw/zinc/29/41/99/1019294199.db2.gz AJDRSWQKHQSOEU-SNVBAGLBSA-N -1 0 304.310 -0.172 20 0 DBADRM O=C([O-])c1ccc(OC[C@@H](O)Cn2nnn(C3CC3)c2=O)cc1 ZINC001608906269 1019294683 /nfs/dbraw/zinc/29/46/83/1019294683.db2.gz JEJABSMPVRVWHM-NSHDSACASA-N -1 0 320.305 -0.087 20 0 DBADRM C[C@@H](CNC(=O)CC(C)(C)O)Nc1nccnc1-c1nn[nH]n1 ZINC001574886470 1019294678 /nfs/dbraw/zinc/29/46/78/1019294678.db2.gz SEUFTDXZTHAODK-QMMMGPOBSA-N -1 0 320.357 -0.266 20 0 DBADRM O=C([O-])c1cccc(C(=O)N[C@@H](CO)CN2CCOCC2)n1 ZINC001608928786 1019296326 /nfs/dbraw/zinc/29/63/26/1019296326.db2.gz OODBENZNEJUJID-SNVBAGLBSA-N -1 0 309.322 -0.797 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCC[C@H](N3CCOCC3)C2)n1 ZINC001608950468 1019296813 /nfs/dbraw/zinc/29/68/13/1019296813.db2.gz SDEJJZYYEYSQSB-LBPRGKRZSA-N -1 0 322.365 -0.096 20 0 DBADRM O=C([O-])c1cn(C2CN(CN3C[C@@]4(CCOC4)CC3=O)C2)nn1 ZINC001608963077 1019297829 /nfs/dbraw/zinc/29/78/29/1019297829.db2.gz UELIPSWAPUBKOJ-CQSZACIVSA-N -1 0 321.337 -0.571 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)CCc3nnc[nH]3)C2)nn1 ZINC001608958681 1019297897 /nfs/dbraw/zinc/29/78/97/1019297897.db2.gz VLSICNVEXFYJAP-VIFPVBQESA-N -1 0 319.325 -0.109 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)nn1 ZINC001608959585 1019297978 /nfs/dbraw/zinc/29/79/78/1019297978.db2.gz DRKICYMIOFLTHJ-BDAKNGLRSA-N -1 0 307.310 -0.724 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1C[C@H](CO)[C@H](CO)C1 ZINC001609005060 1019313477 /nfs/dbraw/zinc/31/34/77/1019313477.db2.gz GSDLLGXEWOYILR-KNVOCYPGSA-N -1 0 322.364 -0.937 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CCN3CCCC3=O)C2)nn1 ZINC001608962162 1019299395 /nfs/dbraw/zinc/29/93/95/1019299395.db2.gz FHISCUZLZFUTNS-UHFFFAOYSA-N -1 0 307.310 -0.628 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(S(=O)(=O)c3c[nH]cn3)C2)nn1 ZINC001608962243 1019300271 /nfs/dbraw/zinc/30/02/71/1019300271.db2.gz ORTRJFQMRNYWHJ-ZETCQYMHSA-N -1 0 312.311 -0.665 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCC2(N3CCOCC3)CC2)cn1 ZINC001608965970 1019301208 /nfs/dbraw/zinc/30/12/08/1019301208.db2.gz UFMKQGQADUUSIP-UHFFFAOYSA-N -1 0 306.322 -0.231 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@@](F)(CO)C2)nn1 ZINC001608963668 1019301513 /nfs/dbraw/zinc/30/15/13/1019301513.db2.gz DEMSBMFGEOACTM-NSHDSACASA-N -1 0 301.278 -0.908 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H]3CCNC(=O)[C@@H]32)nn1 ZINC001608963533 1019301974 /nfs/dbraw/zinc/30/19/74/1019301974.db2.gz VJQCRAFQELMTEE-GZMMTYOYSA-N -1 0 307.310 -0.897 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCO[C@H]1CCOC1 ZINC001608965325 1019302060 /nfs/dbraw/zinc/30/20/60/1019302060.db2.gz KZJOWPCGTOTIMO-ZETCQYMHSA-N -1 0 305.312 -0.808 20 0 DBADRM O=C([O-])c1cnc(N2CCC(C(=O)NCCCO)CC2)nc1 ZINC001608974055 1019302187 /nfs/dbraw/zinc/30/21/87/1019302187.db2.gz AFQUCPUTMXSFFU-UHFFFAOYSA-N -1 0 308.338 -0.110 20 0 DBADRM O=C([O-])c1cnc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC3=O)C2)nc1 ZINC001608978836 1019305175 /nfs/dbraw/zinc/30/51/75/1019305175.db2.gz VEKAGUORSBETSL-AEJSXWLSSA-N -1 0 319.321 -0.630 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)NC[C@@]2(O)CCOC2)c1 ZINC001608982385 1019305196 /nfs/dbraw/zinc/30/51/96/1019305196.db2.gz ILJLBXALPLQFEZ-NSHDSACASA-N -1 0 302.308 -0.791 20 0 DBADRM O=C([O-])c1coc(C(=O)NCC23COCCN2CCOC3)c1 ZINC001608986737 1019306238 /nfs/dbraw/zinc/30/62/38/1019306238.db2.gz PKASSGJYKMLOEI-UHFFFAOYSA-N -1 0 310.306 -0.191 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CNC(=O)[C@H]2CCOC2)C2CC2)n1 ZINC001608999007 1019307297 /nfs/dbraw/zinc/30/72/97/1019307297.db2.gz KEZRKBVMKOHMIB-QWRGUYRKSA-N -1 0 320.349 -0.060 20 0 DBADRM O=C([O-])c1nccc(N2C[C@@H](NC(=O)c3cnco3)[C@@H](O)C2)n1 ZINC001608998692 1019307385 /nfs/dbraw/zinc/30/73/85/1019307385.db2.gz ZGJCFRRSZWKJNM-SFYZADRCSA-N -1 0 319.277 -0.858 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001608999258 1019307591 /nfs/dbraw/zinc/30/75/91/1019307591.db2.gz RTUXGOHJBVWDJP-ULHKAFAUSA-N -1 0 318.333 -0.452 20 0 DBADRM O=C([O-])c1nccc(NCCN(CCO)C(=O)C=C2CCC2)n1 ZINC001608999025 1019308067 /nfs/dbraw/zinc/30/80/67/1019308067.db2.gz KKVNCIRAOMBJIH-UHFFFAOYSA-N -1 0 320.349 -0.060 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2C2CC2)n1 ZINC001608998856 1019308085 /nfs/dbraw/zinc/30/80/85/1019308085.db2.gz GEZLXFWUDKRTFV-OUAUKWLOSA-N -1 0 320.349 -0.468 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)C2(C3CC3)CC2)n1 ZINC001608999158 1019308371 /nfs/dbraw/zinc/30/83/71/1019308371.db2.gz OGTLVJRSOFCMTE-JTQLQIEISA-N -1 0 320.349 -0.324 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCCO3)C2)n1 ZINC001608999811 1019309095 /nfs/dbraw/zinc/30/90/95/1019309095.db2.gz UKADAQAATMTCBU-GUBZILKMSA-N -1 0 306.322 -0.165 20 0 DBADRM O=C([O-])c1ncoc1CNC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001609002659 1019312067 /nfs/dbraw/zinc/31/20/67/1019312067.db2.gz CGDVJGAUYVOXHT-UBAXHVDFSA-N -1 0 322.273 -0.290 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N[C@H](CO)[C@H]1CCOC1 ZINC001609003530 1019313698 /nfs/dbraw/zinc/31/36/98/1019313698.db2.gz QFTPWHFMIDEXIZ-NKWVEPMBSA-N -1 0 322.364 -0.483 20 0 DBADRM O=C([O-])C1(OC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC001609014828 1019313798 /nfs/dbraw/zinc/31/37/98/1019313798.db2.gz RNLHHYAVXIHXPZ-UHFFFAOYSA-N -1 0 312.303 -0.356 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2cc(N3CCNC3=O)ccc2F)C1 ZINC001609027487 1019314391 /nfs/dbraw/zinc/31/43/91/1019314391.db2.gz BQQZSXZKWOMLDT-UHFFFAOYSA-N -1 0 323.280 -0.373 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001609027946 1019314498 /nfs/dbraw/zinc/31/44/98/1019314498.db2.gz DKHNZZVXWWNVAD-LBPRGKRZSA-N -1 0 306.257 -0.304 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)C[C@@H]3CC(=O)N3)C2)nn1 ZINC001609036412 1019315353 /nfs/dbraw/zinc/31/53/53/1019315353.db2.gz UPMODGBQJQOXOV-IUCAKERBSA-N -1 0 307.310 -0.582 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)C[C@H]3CCC(=O)N3)C2)nn1 ZINC001609036003 1019315484 /nfs/dbraw/zinc/31/54/84/1019315484.db2.gz QPRFGBXNRSTINE-NXEZZACHSA-N -1 0 321.337 -0.192 20 0 DBADRM O=C([O-])[C@H](Cc1cncs1)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001609034705 1019315552 /nfs/dbraw/zinc/31/55/52/1019315552.db2.gz BGDCQHKMJDTYCV-SVRRBLITSA-N -1 0 311.319 -0.692 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCNC(=O)CC2)cc1F ZINC001609038395 1019315851 /nfs/dbraw/zinc/31/58/51/1019315851.db2.gz ALQRPUFICDYQCM-UHFFFAOYSA-N -1 0 323.280 -0.189 20 0 DBADRM O=C([O-])[C@H](Cc1cncs1)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001609034706 1019316115 /nfs/dbraw/zinc/31/61/15/1019316115.db2.gz BGDCQHKMJDTYCV-XPUUQOCRSA-N -1 0 311.319 -0.692 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)Cc1ccncc1 ZINC001609034408 1019316272 /nfs/dbraw/zinc/31/62/72/1019316272.db2.gz OEWGEWYLXPBLHD-NWDGAFQWSA-N -1 0 305.334 -0.033 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H]2CCC(=O)N2)CCCC1 ZINC001609039623 1019316584 /nfs/dbraw/zinc/31/65/84/1019316584.db2.gz BFYNIXSDRAJYPR-VIFPVBQESA-N -1 0 304.368 -0.171 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC(=O)NCC23COC3)cn1 ZINC001609038602 1019316682 /nfs/dbraw/zinc/31/66/82/1019316682.db2.gz AQGNUDBVWIROIF-UHFFFAOYSA-N -1 0 305.290 -0.489 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001609034981 1019316905 /nfs/dbraw/zinc/31/69/05/1019316905.db2.gz JIWQMYLTMVTZNM-HTQZYQBOSA-N -1 0 300.336 -0.685 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)C[C@H]3CC(=O)N3)C2)nn1 ZINC001609036413 1019317139 /nfs/dbraw/zinc/31/71/39/1019317139.db2.gz UPMODGBQJQOXOV-RKDXNWHRSA-N -1 0 307.310 -0.582 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CC[C@H](N3CCCC3=O)C2)C1 ZINC001609038048 1019317189 /nfs/dbraw/zinc/31/71/89/1019317189.db2.gz OGBURMKPEZDUMZ-GARJFASQSA-N -1 0 316.379 -0.124 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)NCC[C@@H]2CNC(=O)C2)C1 ZINC001609035455 1019317312 /nfs/dbraw/zinc/31/73/12/1019317312.db2.gz PKLQEXGAPWEATF-UWVGGRQHSA-N -1 0 315.395 -0.028 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C[C@H]3CCC(=O)NC3)C[C@H]1COCC2 ZINC001609036237 1019317486 /nfs/dbraw/zinc/31/74/86/1019317486.db2.gz XNRRXMUDKARGFG-JRPNMDOOSA-N -1 0 310.350 -0.148 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)C(=O)N2CCNC(=O)C2)cc1 ZINC001609040719 1019318185 /nfs/dbraw/zinc/31/81/85/1019318185.db2.gz VUPHKSCNHLKILO-UHFFFAOYSA-N -1 0 319.317 -0.998 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC001609043442 1019318902 /nfs/dbraw/zinc/31/89/02/1019318902.db2.gz GLRZUJCZDSSNBJ-PHDIDXHHSA-N -1 0 310.228 -0.899 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CSCC(=O)N1)Cc1ccncc1 ZINC001609042628 1019318966 /nfs/dbraw/zinc/31/89/66/1019318966.db2.gz QVAMJXFPHWBASS-MNOVXSKESA-N -1 0 323.374 -0.327 20 0 DBADRM O=C([O-])c1cccc2[nH]c(NC(=O)CN3CC(=O)NC3=O)nc21 ZINC001609040841 1019319447 /nfs/dbraw/zinc/31/94/47/1019319447.db2.gz ANUIPZFNPPXMAI-UHFFFAOYSA-N -1 0 317.261 -0.249 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H]2CCC[C@H]21 ZINC001609040879 1019319566 /nfs/dbraw/zinc/31/95/66/1019319566.db2.gz BZNONAVUMBMJEX-SDDRHHMPSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])[C@]1(C(F)(F)F)CCN(CC(=O)N2CCNC(=O)C2)C1 ZINC001609040825 1019319698 /nfs/dbraw/zinc/31/96/98/1019319698.db2.gz ZQJCGZZMLJGNGR-NSHDSACASA-N -1 0 323.271 -0.716 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)N1CC[C@@H]3OCC(=O)N[C@H]3C1)C2 ZINC001609041654 1019319982 /nfs/dbraw/zinc/31/99/82/1019319982.db2.gz PHFAPYBTXKRRFO-YQEZVOHVSA-N -1 0 323.349 -0.461 20 0 DBADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CN1CC(=O)NC1=O)CC2 ZINC001609040835 1019320167 /nfs/dbraw/zinc/32/01/67/1019320167.db2.gz ADUISQOSIGJOCQ-UHFFFAOYSA-N -1 0 317.301 -0.179 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC001609043512 1019320402 /nfs/dbraw/zinc/32/04/02/1019320402.db2.gz BEEMTQMGHGZFIP-QIBSRJKCSA-N -1 0 309.322 -0.312 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(C(=O)CC[C@@H]1NC(=O)NC1=O)CC2 ZINC001609044694 1019321030 /nfs/dbraw/zinc/32/10/30/1019321030.db2.gz UPDOYSJUVITQDW-BDAKNGLRSA-N -1 0 309.322 -0.312 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N[C@H]2CCCNC2=O)CCCC1 ZINC001609045186 1019321052 /nfs/dbraw/zinc/32/10/52/1019321052.db2.gz MJILBALNXAWFPL-VIFPVBQESA-N -1 0 304.368 -0.171 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2C(=O)NCC23CCOCC3)O1 ZINC001609045015 1019321089 /nfs/dbraw/zinc/32/10/89/1019321089.db2.gz HHWPZWVKOMXDRL-KXUCPTDWSA-N -1 0 312.322 -0.970 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)C[C@H]2Oc3ccccc3NC2=O)C1 ZINC001609046347 1019321152 /nfs/dbraw/zinc/32/11/52/1019321152.db2.gz KGEDOUPLURAPPG-IAQYHMDHSA-N -1 0 320.301 -0.176 20 0 DBADRM O=C([O-])[C@@H](CC1CCOCC1)NC(=O)[C@H]1CCOC(=O)N1 ZINC001609044480 1019321377 /nfs/dbraw/zinc/32/13/77/1019321377.db2.gz VXRHCSPNXXUQOS-NXEZZACHSA-N -1 0 300.311 -0.129 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C[C@H]2C(=O)Nc3ccc(F)cc32)C1 ZINC001609046099 1019322104 /nfs/dbraw/zinc/32/21/04/1019322104.db2.gz AGFSHLWPRYNKOF-SECBINFHSA-N -1 0 308.265 -0.091 20 0 DBADRM O=C([O-])c1cnc(N[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)nc1 ZINC001609044559 1019322341 /nfs/dbraw/zinc/32/23/41/1019322341.db2.gz XBNAYAWWZZHPFS-RKDXNWHRSA-N -1 0 321.293 -0.704 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@](O)(C2CC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068076 1019327445 /nfs/dbraw/zinc/32/74/45/1019327445.db2.gz DTVVEKJQHCUYCZ-SDBXPKJASA-N -1 0 318.341 -0.607 20 0 DBADRM C[C@H](C(=O)N[C@@]1(C)CCO[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001609069319 1019332448 /nfs/dbraw/zinc/33/24/48/1019332448.db2.gz VXAHCFOQMFCSST-RWYTXXIDSA-N -1 0 306.330 -0.297 20 0 DBADRM C[C@H](C(=O)OCC(=O)OC(C)(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001609072016 1019332646 /nfs/dbraw/zinc/33/26/46/1019332646.db2.gz YZJHBIQUKUKWQW-SSDOTTSWSA-N -1 0 323.313 -0.096 20 0 DBADRM C[C@@H](C(=O)N[C@@H](CO)C1CCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068299 1019333448 /nfs/dbraw/zinc/33/34/48/1019333448.db2.gz HIONGCCYRGYNQC-WPRPVWTQSA-N -1 0 320.357 -0.314 20 0 DBADRM C[C@@H](C(=O)NC[C@@]1(C)CCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001609069973 1019334944 /nfs/dbraw/zinc/33/49/44/1019334944.db2.gz HYIBTOHFUWBWJC-QPUJVOFHSA-N -1 0 306.330 -0.296 20 0 DBADRM CC(C)NC(=O)COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609099966 1019335862 /nfs/dbraw/zinc/33/58/62/1019335862.db2.gz KXJFGOYPGNXNDO-ZETCQYMHSA-N -1 0 308.302 -0.913 20 0 DBADRM CC(C)NC(=O)COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609099965 1019337366 /nfs/dbraw/zinc/33/73/66/1019337366.db2.gz KXJFGOYPGNXNDO-SSDOTTSWSA-N -1 0 308.302 -0.913 20 0 DBADRM CC(C)c1n[nH]cc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609104523 1019338135 /nfs/dbraw/zinc/33/81/35/1019338135.db2.gz WNKLCGXBGDBVFX-UHFFFAOYSA-N -1 0 316.329 -0.265 20 0 DBADRM CC(C)(CCCO)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001609083850 1019340349 /nfs/dbraw/zinc/34/03/49/1019340349.db2.gz UBYOQCZKKUTJOA-UHFFFAOYSA-N -1 0 308.346 -0.627 20 0 DBADRM C[C@@H](CO)CCCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609114380 1019341547 /nfs/dbraw/zinc/34/15/47/1019341547.db2.gz HBIICEBRYKACRW-BDAKNGLRSA-N -1 0 308.346 -0.456 20 0 DBADRM C[C@H](CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001609112555 1019344694 /nfs/dbraw/zinc/34/46/94/1019344694.db2.gz JRTUFEGAMKESMR-MRVPVSSYSA-N -1 0 305.346 -0.197 20 0 DBADRM C[C@H](C(=O)NCCC[C@H](C)CO)n1cnc(-c2nnn[n-]2)n1 ZINC001609114381 1019346119 /nfs/dbraw/zinc/34/61/19/1019346119.db2.gz HBIICEBRYKACRW-DTWKUNHWSA-N -1 0 308.346 -0.456 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001609127810 1019348736 /nfs/dbraw/zinc/34/87/36/1019348736.db2.gz XHDLZQDPVMDDQF-LLVKDONJSA-N -1 0 313.339 -0.101 20 0 DBADRM C[C@](O)(C(=O)NCCn1cnc(-c2nnn[n-]2)n1)C1CCC1 ZINC001609126725 1019353627 /nfs/dbraw/zinc/35/36/27/1019353627.db2.gz GXCWKXCDKPAJHJ-GFCCVEGCSA-N -1 0 306.330 -0.875 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)c1nncn1C ZINC001609125746 1019354034 /nfs/dbraw/zinc/35/40/34/1019354034.db2.gz OKEWTXRFMQOJFE-LURJTMIESA-N -1 0 324.326 -0.372 20 0 DBADRM CC1(C)CCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001609145822 1019355210 /nfs/dbraw/zinc/35/52/10/1019355210.db2.gz DXWJPJWWJKJQCN-UHFFFAOYSA-N -1 0 305.346 -0.100 20 0 DBADRM CC1(C)C(=O)NCCN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609143847 1019359769 /nfs/dbraw/zinc/35/97/69/1019359769.db2.gz ZBCJMJOMLHPEDY-UHFFFAOYSA-N -1 0 316.321 -0.077 20 0 DBADRM CC(C)CC(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001505596275 1019366400 /nfs/dbraw/zinc/36/64/00/1019366400.db2.gz QOSLACRJNSDLNC-VIFPVBQESA-N -1 0 311.342 -0.548 20 0 DBADRM CC(C)=CC(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001505601227 1019368107 /nfs/dbraw/zinc/36/81/07/1019368107.db2.gz OSDZDRWQNCRITQ-VIFPVBQESA-N -1 0 309.326 -0.627 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)[nH]1 ZINC001575041310 1019368887 /nfs/dbraw/zinc/36/88/87/1019368887.db2.gz WUXZPHMUPNHDGK-UHFFFAOYSA-N -1 0 306.278 -0.473 20 0 DBADRM C[C@H]1OCCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001609179713 1019368985 /nfs/dbraw/zinc/36/89/85/1019368985.db2.gz WJCIPVZDUOJRHC-RKDXNWHRSA-N -1 0 321.345 -0.723 20 0 DBADRM O=Cc1cn(CC(=O)NC[C@H](O)C(=O)[O-])nc1-c1ccccc1 ZINC001575043161 1019369165 /nfs/dbraw/zinc/36/91/65/1019369165.db2.gz HSHMHVWTDPVUQB-LBPRGKRZSA-N -1 0 317.301 -0.076 20 0 DBADRM CC[C@H]1CN(C)CCN1C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609201627 1019372376 /nfs/dbraw/zinc/37/23/76/1019372376.db2.gz MJUXRDMBTIIZNM-ZJUUUORDSA-N -1 0 319.373 -0.428 20 0 DBADRM CCC[C@@]1(CO)CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001609206534 1019374419 /nfs/dbraw/zinc/37/44/19/1019374419.db2.gz CNFXVGDXGGAPEJ-CYBMUJFWSA-N -1 0 320.357 -0.531 20 0 DBADRM CCC[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609205938 1019374657 /nfs/dbraw/zinc/37/46/57/1019374657.db2.gz FBZOQGQSNBVVLK-SSDOTTSWSA-N -1 0 301.328 -0.101 20 0 DBADRM CCCC[C@H](NCCn1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC001609208150 1019376428 /nfs/dbraw/zinc/37/64/28/1019376428.db2.gz JOELQJYNUCVONK-VIFPVBQESA-N -1 0 308.346 -0.220 20 0 DBADRM CCCC[C@H]1NC(=O)N(CCn2cnc(-c3nnn[n-]3)n2)C1=O ZINC001609208364 1019378021 /nfs/dbraw/zinc/37/80/21/1019378021.db2.gz RLBFQUGNTKPDFY-MRVPVSSYSA-N -1 0 319.329 -0.431 20 0 DBADRM CCCNC(=O)[C@H](C)OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609215656 1019378342 /nfs/dbraw/zinc/37/83/42/1019378342.db2.gz XJRPLBINFSQBRG-YUMQZZPRSA-N -1 0 322.329 -0.523 20 0 DBADRM CCCc1noc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)n1 ZINC001609218021 1019378723 /nfs/dbraw/zinc/37/87/23/1019378723.db2.gz CSKGKNTVWSQZHC-UHFFFAOYSA-N -1 0 318.297 -0.889 20 0 DBADRM CCOC1CC(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001609237678 1019385264 /nfs/dbraw/zinc/38/52/64/1019385264.db2.gz RPLHKBRPZVKPBL-UHFFFAOYSA-N -1 0 320.357 -0.220 20 0 DBADRM CCNC(=O)CN(C)Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001609229375 1019385316 /nfs/dbraw/zinc/38/53/16/1019385316.db2.gz XDZYXFFDMDYOCF-UHFFFAOYSA-N -1 0 305.342 -0.638 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1Cn1cnc(-c2nnn[n-]2)n1 ZINC001609234867 1019386069 /nfs/dbraw/zinc/38/60/69/1019386069.db2.gz WHDRRYWOHJXTAF-UHFFFAOYSA-N -1 0 303.286 -0.285 20 0 DBADRM CCOCCCCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609240543 1019386345 /nfs/dbraw/zinc/38/63/45/1019386345.db2.gz NYWYTPLIKAAIIL-UHFFFAOYSA-N -1 0 323.361 -0.426 20 0 DBADRM CCn1ncn([N-]C(=O)c2ccc(-c3nn[nH]n3)cn2)c1=O ZINC001609260291 1019387998 /nfs/dbraw/zinc/38/79/98/1019387998.db2.gz SMCFDHKOLHIZOP-UHFFFAOYSA-N -1 0 301.270 -0.976 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2CCC[C@H](O)C2)c1=O ZINC001609257608 1019389604 /nfs/dbraw/zinc/38/96/04/1019389604.db2.gz DRKDNNYQUNZLGS-ZJUUUORDSA-N -1 0 320.353 -0.239 20 0 DBADRM CCc1cc(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)[nH]n1 ZINC001609251181 1019392618 /nfs/dbraw/zinc/39/26/18/1019392618.db2.gz YNGYFWDSZMWUSG-ZETCQYMHSA-N -1 0 316.329 -0.379 20 0 DBADRM CCn1ncc(-c2nn[nH]n2)c1[N-]S(=O)(=O)c1ccn(C)n1 ZINC001609260332 1019393145 /nfs/dbraw/zinc/39/31/45/1019393145.db2.gz VXZYHJXOEPSIQD-UHFFFAOYSA-N -1 0 323.342 -0.383 20 0 DBADRM COC(=O)[C@@]1(C)CCN(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001609294209 1019410915 /nfs/dbraw/zinc/41/09/15/1019410915.db2.gz APIJQGAQSFPWAV-AWEZNQCLSA-N -1 0 318.337 -0.129 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1 ZINC001609309346 1019420708 /nfs/dbraw/zinc/42/07/08/1019420708.db2.gz ZUHLDIYKOSPWME-LURJTMIESA-N -1 0 301.332 -0.623 20 0 DBADRM COCC[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609321742 1019427222 /nfs/dbraw/zinc/42/72/22/1019427222.db2.gz MYWXNVYJZYMOFY-SECBINFHSA-N -1 0 307.310 -0.301 20 0 DBADRM COCCN(CCOC)Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001609325182 1019428006 /nfs/dbraw/zinc/42/80/06/1019428006.db2.gz PNEVFCJYWIJYSJ-UHFFFAOYSA-N -1 0 322.369 -0.111 20 0 DBADRM COCc1cc(NCCn2cnc(-c3nnn[n-]3)n2)ncn1 ZINC001609330540 1019436560 /nfs/dbraw/zinc/43/65/60/1019436560.db2.gz KOKMAYGVYDZXHG-UHFFFAOYSA-N -1 0 302.302 -0.493 20 0 DBADRM COc1cncc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001609365096 1019446747 /nfs/dbraw/zinc/44/67/47/1019446747.db2.gz FXYWRDSABWLSQW-ZCFIWIBFSA-N -1 0 316.285 -0.544 20 0 DBADRM C[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)c1ncc[nH]1 ZINC001609374891 1019447110 /nfs/dbraw/zinc/44/71/10/1019447110.db2.gz INDPELXYZYOPBR-ZCFIWIBFSA-N -1 0 317.313 -0.840 20 0 DBADRM Cc1nn(C)cc1CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609459659 1019467315 /nfs/dbraw/zinc/46/73/15/1019467315.db2.gz UYSGOMQALLMUOH-MRVPVSSYSA-N -1 0 316.329 -0.622 20 0 DBADRM Cc1onc(CC(=O)[N-]OC[C@@H]2CCOC2)c1-c1nn[nH]n1 ZINC001609471226 1019476386 /nfs/dbraw/zinc/47/63/86/1019476386.db2.gz BPFBAUUSNZXTMP-MRVPVSSYSA-N -1 0 308.298 -0.210 20 0 DBADRM Cn1cc(N2CCN(c3ccnc(-c4nnn[n-]4)n3)CC2)cn1 ZINC001609479379 1019481887 /nfs/dbraw/zinc/48/18/87/1019481887.db2.gz KZEORTDOZLPNNO-UHFFFAOYSA-N -1 0 312.341 -0.283 20 0 DBADRM Cn1nnnc1Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCCC2 ZINC001609483403 1019482024 /nfs/dbraw/zinc/48/20/24/1019482024.db2.gz ASZCDTMNPZKFMJ-UHFFFAOYSA-N -1 0 313.325 -0.521 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCOC(F)(F)F ZINC001609537906 1019501837 /nfs/dbraw/zinc/50/18/37/1019501837.db2.gz BMXRDGBTKKEDNV-UHFFFAOYSA-N -1 0 306.208 -0.889 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cccc2c[nH]nc21 ZINC001609538160 1019503618 /nfs/dbraw/zinc/50/36/18/1019503618.db2.gz XNQFJYAWKGTWCF-UHFFFAOYSA-N -1 0 310.281 -0.027 20 0 DBADRM O=C(COC(=O)c1ccc(-c2nnn[n-]2)o1)NC[C@@H]1CCCO1 ZINC001609529615 1019503854 /nfs/dbraw/zinc/50/38/54/1019503854.db2.gz XYLSGKUNEDCYRG-QMMMGPOBSA-N -1 0 321.293 -0.088 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001609557366 1019512668 /nfs/dbraw/zinc/51/26/68/1019512668.db2.gz DAARHFNWNODUKS-UHFFFAOYSA-N -1 0 302.254 -0.135 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@@H]1C[C@H]1C1CC1 ZINC001609551953 1019516131 /nfs/dbraw/zinc/51/61/31/1019516131.db2.gz RHPVKWBZSYHIFY-DTWKUNHWSA-N -1 0 303.330 -0.444 20 0 DBADRM CC(=O)N1CC(C(=O)OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1 ZINC001609583715 1019518298 /nfs/dbraw/zinc/51/82/98/1019518298.db2.gz BEQGHDMXOAEVJN-NSHDSACASA-N -1 0 314.338 -0.377 20 0 DBADRM CC(C)CC(=O)N1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001505819462 1019531741 /nfs/dbraw/zinc/53/17/41/1019531741.db2.gz RTCINQZGNXLSIZ-SECBINFHSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)NCc1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])s1 ZINC001609621970 1019536902 /nfs/dbraw/zinc/53/69/02/1019536902.db2.gz PVZGYBYQHXBBII-LBPRGKRZSA-N -1 0 300.336 -0.050 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)NCCn2cnnn2)c(C(=O)[O-])c1C ZINC001609627541 1019538721 /nfs/dbraw/zinc/53/87/21/1019538721.db2.gz IYFYGUQQAYPUML-UHFFFAOYSA-N -1 0 320.309 -0.431 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC001609635047 1019538989 /nfs/dbraw/zinc/53/89/89/1019538989.db2.gz OWEDKIDELRHMOQ-GHMZBOCLSA-N -1 0 321.381 -0.007 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NC1(C(=O)[O-])CCSCC1 ZINC001609631866 1019539014 /nfs/dbraw/zinc/53/90/14/1019539014.db2.gz SNNFXZSFAQQUEA-QMMMGPOBSA-N -1 0 324.424 -0.267 20 0 DBADRM C[C@@H](C(=O)N[C@@H](CF)C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001609634757 1019539067 /nfs/dbraw/zinc/53/90/67/1019539067.db2.gz LPAUDISPBINYTO-CBAPKCEASA-N -1 0 311.331 -0.492 20 0 DBADRM C[C@@H](C(=O)N1CCSC[C@H](C(=O)[O-])C1)N1C(=O)CCC1=O ZINC001609633486 1019539303 /nfs/dbraw/zinc/53/93/03/1019539303.db2.gz DMWIDLVBUIAHFA-DTWKUNHWSA-N -1 0 314.363 -0.200 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)Cc1nncn1C ZINC001609632508 1019540097 /nfs/dbraw/zinc/54/00/97/1019540097.db2.gz SZRJFQRBZYOCBO-JTQLQIEISA-N -1 0 309.370 -0.041 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(c2ncc(F)cn2)CC1 ZINC001609635426 1019541207 /nfs/dbraw/zinc/54/12/07/1019541207.db2.gz WYGCHJSESABFSR-SECBINFHSA-N -1 0 311.317 -0.673 20 0 DBADRM CC(C)(C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)N1CCOCC1 ZINC001609647339 1019541259 /nfs/dbraw/zinc/54/12/59/1019541259.db2.gz FKWLJTQUTFOWTL-GHMZBOCLSA-N -1 0 300.355 -0.609 20 0 DBADRM C[C@H](C(=O)NCC1(C(=O)[O-])CC1)S(=O)(=O)C1CCOCC1 ZINC001609636725 1019541424 /nfs/dbraw/zinc/54/14/24/1019541424.db2.gz YDDKKFARUCYNCU-SECBINFHSA-N -1 0 319.379 -0.050 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@@H]3CC(C(=O)[O-])=NO3)[C@@H]2C1 ZINC001609645836 1019542726 /nfs/dbraw/zinc/54/27/26/1019542726.db2.gz RGBGQDMWMDMWPB-NOHGZBONSA-N -1 0 323.349 -0.021 20 0 DBADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CN2CCNCC2=O)C1 ZINC001609649558 1019542946 /nfs/dbraw/zinc/54/29/46/1019542946.db2.gz LGLKVPTXFGWQMW-LLVKDONJSA-N -1 0 311.382 -0.232 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001609669072 1019544007 /nfs/dbraw/zinc/54/40/07/1019544007.db2.gz LOUNDFNHLIFHLO-IUCAKERBSA-N -1 0 307.368 -0.506 20 0 DBADRM CC(C)(CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1)C(N)=O ZINC001609675438 1019545482 /nfs/dbraw/zinc/54/54/82/1019545482.db2.gz SBKKJOCLKLNQPU-UHFFFAOYSA-N -1 0 307.306 -0.049 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1CCC(=O)[O-] ZINC001609659037 1019545723 /nfs/dbraw/zinc/54/57/23/1019545723.db2.gz WYGWATPUPUYODY-SECBINFHSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)(CS(=O)(=O)NCC(=O)NCC(F)(F)F)C(=O)[O-] ZINC001609677683 1019546522 /nfs/dbraw/zinc/54/65/22/1019546522.db2.gz ALTIPTJQDDYWAR-UHFFFAOYSA-N -1 0 320.289 -0.305 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN(C)CCNS(C)(=O)=O)C(=O)[O-] ZINC001609693286 1019547523 /nfs/dbraw/zinc/54/75/23/1019547523.db2.gz GQWSXOWRMPGFEV-SNVBAGLBSA-N -1 0 323.415 -0.917 20 0 DBADRM CC(C)(NC(=O)C(=O)Nc1ccc(-n2nccn2)nc1)C(=O)[O-] ZINC001609678588 1019547560 /nfs/dbraw/zinc/54/75/60/1019547560.db2.gz TZFOGXGKVKIGID-UHFFFAOYSA-N -1 0 318.293 -0.420 20 0 DBADRM CC(C)(CNC(=O)c1cc(N2CCNC(=O)C2)ccn1)C(=O)[O-] ZINC001609676422 1019547794 /nfs/dbraw/zinc/54/77/94/1019547794.db2.gz YEAYCQNFWJHBHD-UHFFFAOYSA-N -1 0 320.349 -0.142 20 0 DBADRM C[C@@H](C(=O)NC(C)(C)C)N(C)CCS(=O)(=O)CC(=O)[O-] ZINC001609696239 1019549721 /nfs/dbraw/zinc/54/97/21/1019549721.db2.gz FCKDZJBARCIPDE-VIFPVBQESA-N -1 0 308.400 -0.279 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1=O ZINC001609706157 1019550222 /nfs/dbraw/zinc/55/02/22/1019550222.db2.gz WYHARAZORJEMKC-MXWKQRLJSA-N -1 0 313.354 -0.527 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001609700579 1019550592 /nfs/dbraw/zinc/55/05/92/1019550592.db2.gz FEMGQPBVLMOGCH-KOLCDFICSA-N -1 0 307.368 -0.506 20 0 DBADRM C[C@H](C(=O)NC(C)(C)C)N(C)CCS(=O)(=O)CC(=O)[O-] ZINC001609696238 1019551694 /nfs/dbraw/zinc/55/16/94/1019551694.db2.gz FCKDZJBARCIPDE-SECBINFHSA-N -1 0 308.400 -0.279 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 ZINC001609705782 1019552135 /nfs/dbraw/zinc/55/21/35/1019552135.db2.gz HLDLHCKVPNXRAD-MRVPVSSYSA-N -1 0 307.306 -0.049 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)C(=O)Nc2ccon2)CC1 ZINC001609734985 1019554822 /nfs/dbraw/zinc/55/48/22/1019554822.db2.gz UAAWNVCLRMXQPW-SECBINFHSA-N -1 0 310.310 -0.380 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC[C@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC001609716337 1019556856 /nfs/dbraw/zinc/55/68/56/1019556856.db2.gz DUFZTKBQRFJDNB-ONGXEEELSA-N -1 0 306.384 -0.669 20 0 DBADRM C[C@@H](C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CCC1 ZINC001575402496 1019557803 /nfs/dbraw/zinc/55/78/03/1019557803.db2.gz JXQXASNFHLRDFZ-MRVPVSSYSA-N -1 0 311.342 -0.642 20 0 DBADRM C[C@H](CS(=O)(=O)NC(C)(C)CN1CCOCC1)C(=O)[O-] ZINC001609749301 1019559265 /nfs/dbraw/zinc/55/92/65/1019559265.db2.gz GBCSRMUAIQNEFL-SNVBAGLBSA-N -1 0 308.400 -0.263 20 0 DBADRM C[C@H](CS(=O)(=O)NC[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001609750055 1019559283 /nfs/dbraw/zinc/55/92/83/1019559283.db2.gz MQAXPMSWKZIDHM-RKDXNWHRSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001609748181 1019559531 /nfs/dbraw/zinc/55/95/31/1019559531.db2.gz MVHPAYLPQVIVMM-VGRPZGNXSA-N -1 0 318.395 -0.371 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001609747475 1019559779 /nfs/dbraw/zinc/55/97/79/1019559779.db2.gz CZYHHCANIDQLNA-QKUZVNEOSA-N -1 0 304.368 -0.809 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC[C@H](C)S(=O)(=O)CC1)C(=O)[O-] ZINC001609747225 1019559994 /nfs/dbraw/zinc/55/99/94/1019559994.db2.gz HSBAPIYTQFFUJU-IUCAKERBSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-])c1ncn(C)n1 ZINC001609756334 1019560587 /nfs/dbraw/zinc/56/05/87/1019560587.db2.gz DCRYVYQAGFCHCG-BDAKNGLRSA-N -1 0 309.326 -0.542 20 0 DBADRM CC(C)(C)OC(=O)N1CC(C(=O)OCC(=O)NCC(=O)[O-])C1 ZINC001609754773 1019561086 /nfs/dbraw/zinc/56/10/86/1019561086.db2.gz VSWBBEZBOJIJHV-UHFFFAOYSA-N -1 0 316.310 -0.403 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)c1ncn(C)n1 ZINC001609783734 1019561824 /nfs/dbraw/zinc/56/18/24/1019561824.db2.gz WUJDMBRVRMLUBV-SSDOTTSWSA-N -1 0 311.323 -0.052 20 0 DBADRM C[C@H](NC(=O)CSc1nc(C(=O)[O-])c[nH]1)C(=O)N(C)C ZINC001609763138 1019561847 /nfs/dbraw/zinc/56/18/47/1019561847.db2.gz IFOMTSBEQZOWPJ-LURJTMIESA-N -1 0 300.340 -0.207 20 0 DBADRM C[C@@H](O)CC(C)(C)CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001609787869 1019564361 /nfs/dbraw/zinc/56/43/61/1019564361.db2.gz LNROGACMUIVIAD-ZJUUUORDSA-N -1 0 316.354 -0.788 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001609785776 1019564490 /nfs/dbraw/zinc/56/44/90/1019564490.db2.gz JPMCTRGGXIGJII-SECBINFHSA-N -1 0 314.363 -0.019 20 0 DBADRM C[C@H](O)CN(CCO)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001609786776 1019564691 /nfs/dbraw/zinc/56/46/91/1019564691.db2.gz LWHHECLAURAESG-ZETCQYMHSA-N -1 0 303.340 -0.023 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC001609790057 1019566020 /nfs/dbraw/zinc/56/60/20/1019566020.db2.gz WZSBKFHWQCPREA-WRWORJQWSA-N -1 0 310.306 -0.130 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)OCc1ccc(C(=O)[O-])cn1 ZINC001609787261 1019566031 /nfs/dbraw/zinc/56/60/31/1019566031.db2.gz UYQWJBJVYBXRIL-SSDOTTSWSA-N -1 0 302.308 -0.239 20 0 DBADRM C[C@@H](O)C[C@H]1COCCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001609787590 1019566289 /nfs/dbraw/zinc/56/62/89/1019566289.db2.gz IHHIURWTQDHFPI-ZJUUUORDSA-N -1 0 309.384 -0.101 20 0 DBADRM C[C@H](OC(=O)COc1ccc(CO)cc1)C(=O)NCC(=O)[O-] ZINC001609800517 1019567278 /nfs/dbraw/zinc/56/72/78/1019567278.db2.gz VPZCMVDONZXABS-VIFPVBQESA-N -1 0 311.290 -0.310 20 0 DBADRM C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CNC2=O)C(=O)C(=O)[O-] ZINC001609797579 1019568008 /nfs/dbraw/zinc/56/80/08/1019568008.db2.gz LXXKSCKFARHPAD-LURJTMIESA-N -1 0 320.257 -0.433 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CCc2cnn(C)c2C1)C(=O)NCC(=O)[O-] ZINC001609791961 1019568697 /nfs/dbraw/zinc/56/86/97/1019568697.db2.gz DMIFCRTWOWCUPO-BDAKNGLRSA-N -1 0 309.322 -0.343 20 0 DBADRM C[C@H](OC(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)NCC(=O)[O-] ZINC001609791497 1019568785 /nfs/dbraw/zinc/56/87/85/1019568785.db2.gz APWPQVYXGPJEJT-IUCAKERBSA-N -1 0 321.351 -0.666 20 0 DBADRM C[C@H](c1ccccc1)[C@H](NCC(=O)NCCC(=O)[O-])C(N)=O ZINC001609807092 1019569985 /nfs/dbraw/zinc/56/99/85/1019569985.db2.gz FAGPCWUSMQAXIB-YGRLFVJLSA-N -1 0 307.350 -0.176 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCCCn2ccnn2)C1 ZINC001609812865 1019570895 /nfs/dbraw/zinc/57/08/95/1019570895.db2.gz AYCKGCCTJPJOAR-AWEZNQCLSA-N -1 0 323.353 -0.502 20 0 DBADRM CC1(C)CC(CNC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001609816128 1019571389 /nfs/dbraw/zinc/57/13/89/1019571389.db2.gz CDEOHXZCBGODRW-QWRGUYRKSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCC(F)(F)CN)C1 ZINC001609815231 1019571802 /nfs/dbraw/zinc/57/18/02/1019571802.db2.gz UKSOCYZTMYYMLS-NSHDSACASA-N -1 0 307.297 -0.590 20 0 DBADRM C[C@]1(CCCC(=O)N[C@@H](CC(F)F)C(=O)[O-])NC(=O)NC1=O ZINC001609823657 1019574723 /nfs/dbraw/zinc/57/47/23/1019574723.db2.gz QMBUPRWYXKDJKB-PWCHPLFNSA-N -1 0 321.280 -0.021 20 0 DBADRM CC1(Cn2cc(C(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)nn2)COC1 ZINC001609821258 1019574885 /nfs/dbraw/zinc/57/48/85/1019574885.db2.gz DDSZXCGCEMXDRM-UWVGGRQHSA-N -1 0 324.337 -0.778 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001609830630 1019575146 /nfs/dbraw/zinc/57/51/46/1019575146.db2.gz NTJSZBSPWPBBLH-VHSXEESVSA-N -1 0 323.349 -0.953 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC001609832459 1019575881 /nfs/dbraw/zinc/57/58/81/1019575881.db2.gz HZYBXFAQCRMOMG-FBIMIBRVSA-N -1 0 320.349 -0.295 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCc1cnccn1 ZINC001609836791 1019576110 /nfs/dbraw/zinc/57/61/10/1019576110.db2.gz URTZZKUNJIMFPO-ONGXEEELSA-N -1 0 306.322 -0.543 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1nc(CS(C)(=O)=O)no1 ZINC001609834554 1019576529 /nfs/dbraw/zinc/57/65/29/1019576529.db2.gz PETSAWDUXZMPNV-HTQZYQBOSA-N -1 0 303.340 -0.091 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1nc(CS(C)(=O)=O)no1 ZINC001609834566 1019576628 /nfs/dbraw/zinc/57/66/28/1019576628.db2.gz PETSAWDUXZMPNV-YUMQZZPRSA-N -1 0 303.340 -0.091 20 0 DBADRM C[C@@H]1CCS(=O)(=O)CCN1CCC(=O)N(C)CC(=O)[O-] ZINC001609862475 1019579134 /nfs/dbraw/zinc/57/91/34/1019579134.db2.gz MWIIWTHXNCZYIU-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)Cn2cncn2)c1[O-] ZINC001505898090 1019579382 /nfs/dbraw/zinc/57/93/82/1019579382.db2.gz KKWKOWBEWGWXLZ-VIFPVBQESA-N -1 0 319.325 -0.954 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)C[C@H]1O ZINC001609862604 1019580073 /nfs/dbraw/zinc/58/00/73/1019580073.db2.gz JGQCERWXVLAKOG-BXKDBHETSA-N -1 0 322.317 -0.072 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)CC(=O)NC(C)C)c1[O-] ZINC001505900053 1019580362 /nfs/dbraw/zinc/58/03/62/1019580362.db2.gz XLIJIEUYGPXAAL-SECBINFHSA-N -1 0 311.386 -0.002 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)C[C@@H]1O ZINC001609862607 1019580572 /nfs/dbraw/zinc/58/05/72/1019580572.db2.gz JGQCERWXVLAKOG-SKDRFNHKSA-N -1 0 322.317 -0.072 20 0 DBADRM C[C@@H]1CN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CC(=O)N1 ZINC001609868181 1019581312 /nfs/dbraw/zinc/58/13/12/1019581312.db2.gz DZQLKMBOHSGPAK-ZYHUDNBSSA-N -1 0 308.334 -0.055 20 0 DBADRM C[C@@H]1CN(CCCN2C(=O)CS/C2=C\C(=O)[O-])CC(=O)N1 ZINC001609873620 1019581811 /nfs/dbraw/zinc/58/18/11/1019581811.db2.gz JTGRIWSHJXFZJC-UKWOQQOSSA-N -1 0 313.379 -0.302 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001609872358 1019581918 /nfs/dbraw/zinc/58/19/18/1019581918.db2.gz SKMFZJOBKGGCNW-VIFPVBQESA-N -1 0 321.399 -0.085 20 0 DBADRM C[C@@H]1CN(CN2C[C@@H](C(=O)[O-])OC2=O)C[C@]2(CCOC2)O1 ZINC001609873678 1019582220 /nfs/dbraw/zinc/58/22/20/1019582220.db2.gz KRZXBNCDOGFOMS-NRUUGDAUSA-N -1 0 300.311 -0.271 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001609867571 1019582859 /nfs/dbraw/zinc/58/28/59/1019582859.db2.gz ODBUIFNMSUOKQR-SECBINFHSA-N -1 0 306.322 -0.119 20 0 DBADRM C[C@H](CNC(=O)c1cc[nH]c(=O)c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001505899853 1019583746 /nfs/dbraw/zinc/58/37/46/1019583746.db2.gz SXQWTVKSUYYEJR-MRVPVSSYSA-N -1 0 306.326 -0.139 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC(=O)N1C ZINC001609873779 1019584030 /nfs/dbraw/zinc/58/40/30/1019584030.db2.gz FGFNISLCEVDAJJ-SSDOTTSWSA-N -1 0 301.324 -0.436 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001609866998 1019584120 /nfs/dbraw/zinc/58/41/20/1019584120.db2.gz KOZMOZOLRWVAAX-MNOVXSKESA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)CCc1cn(CC(=O)[O-])nn1 ZINC001609881271 1019585614 /nfs/dbraw/zinc/58/56/14/1019585614.db2.gz OGCKCYNXYXYTSN-WPRPVWTQSA-N -1 0 303.340 -0.503 20 0 DBADRM C[C@@H]1OCC[C@]12CN(C(=O)Cn1cc(C(=O)[O-])nn1)CCO2 ZINC001609878969 1019585781 /nfs/dbraw/zinc/58/57/81/1019585781.db2.gz NYNLCFQMWNFXKZ-ZANVPECISA-N -1 0 310.310 -0.617 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1 ZINC001609882323 1019586182 /nfs/dbraw/zinc/58/61/82/1019586182.db2.gz GONLOTPUKNCQSV-QJPTWQEYSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C[C@@H](CO)O1 ZINC001609874643 1019587086 /nfs/dbraw/zinc/58/70/86/1019587086.db2.gz NIDARLBSFCPURU-BDAKNGLRSA-N -1 0 316.335 -0.450 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NC[C@H](O)C(=O)[O-] ZINC001609908925 1019588503 /nfs/dbraw/zinc/58/85/03/1019588503.db2.gz FSYTUUWDMPWPOS-DCAQKATOSA-N -1 0 315.370 -0.232 20 0 DBADRM CC[C@H](C)[C@H](C)NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001609899505 1019589222 /nfs/dbraw/zinc/58/92/22/1019589222.db2.gz LYKNLNFHAXSIPP-UKKRHICBSA-N -1 0 300.355 -0.169 20 0 DBADRM CC[C@](C)(NC(=O)c1ccc(S(=O)(=O)NC)nc1)C(=O)[O-] ZINC001609896539 1019590021 /nfs/dbraw/zinc/59/00/21/1019590021.db2.gz SEYLXCCRPIXYQL-LBPRGKRZSA-N -1 0 315.351 -0.027 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)CN1[C@H](C)C(=O)N(C)S1(=O)=O ZINC001609914887 1019590158 /nfs/dbraw/zinc/59/01/58/1019590158.db2.gz XVTCXXKGPKNBMX-MRVPVSSYSA-N -1 0 320.367 -0.146 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)c1cnc(C(=O)[O-])cn1 ZINC001609903661 1019590350 /nfs/dbraw/zinc/59/03/50/1019590350.db2.gz IEQCFPLPUNVTPR-SSDOTTSWSA-N -1 0 301.324 -0.320 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(=O)NCc1ccco1 ZINC001609913819 1019590382 /nfs/dbraw/zinc/59/03/82/1019590382.db2.gz AGXFXXHEJXUCFF-GMSGAONNSA-N -1 0 309.278 -0.370 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001609888129 1019590633 /nfs/dbraw/zinc/59/06/33/1019590633.db2.gz YGPHPGSASAHKGT-QWRGUYRKSA-N -1 0 318.395 -0.572 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC001609888301 1019590963 /nfs/dbraw/zinc/59/09/63/1019590963.db2.gz ZTKQAHYUYZHBMN-SECBINFHSA-N -1 0 323.353 -0.162 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@@H](C)CN1CCOCC1)C(=O)[O-] ZINC001609922564 1019591879 /nfs/dbraw/zinc/59/18/79/1019591879.db2.gz QQCWBSGCNIXYBJ-FZMZJTMJSA-N -1 0 302.371 -0.049 20 0 DBADRM CC[C@@]1(CO)CCCN1C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001609945647 1019592828 /nfs/dbraw/zinc/59/28/28/1019592828.db2.gz WAURANSKWITELJ-AWEZNQCLSA-N -1 0 324.337 -0.180 20 0 DBADRM CC[C@@H]1CN(CC(=O)NCCC(=O)[O-])C[C@@]2(CCOC2)O1 ZINC001609947418 1019593258 /nfs/dbraw/zinc/59/32/58/1019593258.db2.gz NMKWKUAIUKJMPB-BXUZGUMPSA-N -1 0 300.355 -0.153 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)C[C@H]1O ZINC001609948599 1019593567 /nfs/dbraw/zinc/59/35/67/1019593567.db2.gz XDMJADRGMCSUEA-GXSJLCMTSA-N -1 0 324.337 -0.556 20 0 DBADRM CCC(O)(CC)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001609937765 1019593890 /nfs/dbraw/zinc/59/38/90/1019593890.db2.gz WVHPCUGIWLSZDV-UHFFFAOYSA-N -1 0 312.326 -0.276 20 0 DBADRM CC[C@@]1(C)NC(=O)N(NS(=O)(=O)CCCC(=O)[O-])C1=O ZINC001609942444 1019593974 /nfs/dbraw/zinc/59/39/74/1019593974.db2.gz XHDVRDHPECAMMN-SNVBAGLBSA-N -1 0 307.328 -0.594 20 0 DBADRM CCCN1C[C@H](C(=O)N(CC(=O)[O-])CC(=O)OC)CC1=O ZINC001609979009 1019595297 /nfs/dbraw/zinc/59/52/97/1019595297.db2.gz WMFUOGCLDGGBGX-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1cc(-n2cnnn2)ccc1F)C(=O)[O-] ZINC001609955294 1019595642 /nfs/dbraw/zinc/59/56/42/1019595642.db2.gz GSYLWJGALFYUME-GFCCVEGCSA-N -1 0 324.272 -0.242 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001609965338 1019595936 /nfs/dbraw/zinc/59/59/36/1019595936.db2.gz VNNZXHBIWXPTQT-GUBZILKMSA-N -1 0 301.343 -0.350 20 0 DBADRM CCCN1C[C@@H](C(=O)NCCn2cc(C(=O)[O-])nn2)CC1=O ZINC001609977491 1019596283 /nfs/dbraw/zinc/59/62/83/1019596283.db2.gz DFHPKUFCEQRSSP-VIFPVBQESA-N -1 0 309.326 -0.649 20 0 DBADRM CCCN(CCC)S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)OC ZINC001609976845 1019596582 /nfs/dbraw/zinc/59/65/82/1019596582.db2.gz OOWUWRRGRZMTIK-VIFPVBQESA-N -1 0 310.372 -0.041 20 0 DBADRM CCCCN(CCO)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001609969738 1019596758 /nfs/dbraw/zinc/59/67/58/1019596758.db2.gz ZALVDPDXHWNQEK-CQSZACIVSA-N -1 0 300.355 -0.069 20 0 DBADRM CCN1C[C@@H](NS(=O)(=O)c2cncc(C(=O)[O-])c2)CC1=O ZINC001610005126 1019597551 /nfs/dbraw/zinc/59/75/51/1019597551.db2.gz ZUSLDBMZSJVHQM-VIFPVBQESA-N -1 0 313.335 -0.321 20 0 DBADRM CCN(CC)C(=O)N1CCN(Cc2cn(CC(=O)[O-])nn2)CC1 ZINC001609996925 1019598151 /nfs/dbraw/zinc/59/81/51/1019598151.db2.gz DFGKJJGVEDUYQN-UHFFFAOYSA-N -1 0 324.385 -0.058 20 0 DBADRM CCN(CCOCCO)C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001610001831 1019598435 /nfs/dbraw/zinc/59/84/35/1019598435.db2.gz WQKPVAUGBICYRE-GHMZBOCLSA-N -1 0 316.354 -0.977 20 0 DBADRM CCN(CC(=O)[O-])CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC001609992187 1019598619 /nfs/dbraw/zinc/59/86/19/1019598619.db2.gz DUJIBLIQZYSTQE-UHFFFAOYSA-N -1 0 315.351 -0.321 20 0 DBADRM CCN(CC)C(=O)C[S@](=O)CCc1cn(CC(=O)[O-])nn1 ZINC001609995270 1019598659 /nfs/dbraw/zinc/59/86/59/1019598659.db2.gz WNJYSLOWKHDJAS-OAQYLSRUSA-N -1 0 316.383 -0.478 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001609981608 1019598972 /nfs/dbraw/zinc/59/89/72/1019598972.db2.gz KBBZSGURZZDIBS-VIFPVBQESA-N -1 0 303.340 -0.654 20 0 DBADRM CCN(CC(=O)[O-])C(=O)C1CCN(S(=O)(=O)NC)CC1 ZINC001609991227 1019599576 /nfs/dbraw/zinc/59/95/76/1019599576.db2.gz KIAKPZRXYIJWAZ-UHFFFAOYSA-N -1 0 307.372 -0.904 20 0 DBADRM CCN(CC)C(=O)N1CCN([C@H](C)C(=O)NCC(=O)[O-])CC1 ZINC001609996853 1019599590 /nfs/dbraw/zinc/59/95/90/1019599590.db2.gz BEWAYGLRVJFJEM-LLVKDONJSA-N -1 0 314.386 -0.345 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001609997746 1019599860 /nfs/dbraw/zinc/59/98/60/1019599860.db2.gz GFEIKTZNLMZILW-GFCCVEGCSA-N -1 0 322.383 -0.592 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)c3ccc(C(=O)[O-])[nH]3)CCN2C1=O ZINC001610006749 1019601444 /nfs/dbraw/zinc/60/14/44/1019601444.db2.gz ZHFBYQLHDWVFMD-SNVBAGLBSA-N -1 0 320.305 -0.179 20 0 DBADRM CCOC(=O)[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1CC1 ZINC001610011708 1019601989 /nfs/dbraw/zinc/60/19/89/1019601989.db2.gz BKSYITXXFHFJCD-SNVBAGLBSA-N -1 0 308.356 -0.431 20 0 DBADRM CCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1=O ZINC001610009435 1019602350 /nfs/dbraw/zinc/60/23/50/1019602350.db2.gz VIPDYEGPFYRHAA-UHFFFAOYSA-N -1 0 313.335 -0.367 20 0 DBADRM CCN1C[C@@H](C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1=O ZINC001610005793 1019602611 /nfs/dbraw/zinc/60/26/11/1019602611.db2.gz LTISEOKFEYLGHH-UWVGGRQHSA-N -1 0 321.337 -0.382 20 0 DBADRM CCOC(=O)C(C)(C)n1cc(NC(=O)[C@@H]([NH3+])CC(=O)[O-])cn1 ZINC001610011339 1019603622 /nfs/dbraw/zinc/60/36/22/1019603622.db2.gz AICGLSQHZIYXJZ-VIFPVBQESA-N -1 0 312.326 -0.078 20 0 DBADRM CCOC(=O)C1(C(=O)OCC(=O)NCC(=O)[O-])CCCC1 ZINC001610015391 1019604882 /nfs/dbraw/zinc/60/48/82/1019604882.db2.gz RJPVEXWBKPQPJI-UHFFFAOYSA-N -1 0 301.295 -0.146 20 0 DBADRM CCOCCCNC(=S)NCCn1cc(C(=O)[O-])nn1 ZINC001610032343 1019605856 /nfs/dbraw/zinc/60/58/56/1019605856.db2.gz DCOVQOGHNJVKDX-UHFFFAOYSA-N -1 0 301.372 -0.133 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001610017063 1019606401 /nfs/dbraw/zinc/60/64/01/1019606401.db2.gz WZNPOJDRWAHKLA-GXSJLCMTSA-N -1 0 323.367 -0.431 20 0 DBADRM CCOC(=O)[C@@H]1CSCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001610014864 1019606547 /nfs/dbraw/zinc/60/65/47/1019606547.db2.gz SZHFBCQYWBNJJA-QMMMGPOBSA-N -1 0 314.323 -0.559 20 0 DBADRM CCc1[nH]c(C(=O)NCCNS(C)(=O)=O)c(C)c1C(=O)[O-] ZINC001610054527 1019607822 /nfs/dbraw/zinc/60/78/22/1019607822.db2.gz GFKUPVMPZQPDFG-UHFFFAOYSA-N -1 0 317.367 -0.137 20 0 DBADRM C[C@]1(O)CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC001610053941 1019607947 /nfs/dbraw/zinc/60/79/47/1019607947.db2.gz NVCHIYGYOWRHGE-YGRLFVJLSA-N -1 0 314.338 -0.938 20 0 DBADRM CCS(=O)(=O)NCC(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001610049024 1019608334 /nfs/dbraw/zinc/60/83/34/1019608334.db2.gz VRYGPYUEBBBRSX-UHFFFAOYSA-N -1 0 302.308 -0.032 20 0 DBADRM CC1(C)CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCCO1 ZINC001610047737 1019608358 /nfs/dbraw/zinc/60/83/58/1019608358.db2.gz RUTABEDCCXLQBV-JTQLQIEISA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@]1(C[C@H]2CCCN2C(=O)NCCC(=O)[O-])NC(=O)NC1=O ZINC001610053608 1019608543 /nfs/dbraw/zinc/60/85/43/1019608543.db2.gz KOPOMGWTZACVFQ-OQPBUACISA-N -1 0 312.326 -0.377 20 0 DBADRM CCS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC001610049711 1019609173 /nfs/dbraw/zinc/60/91/73/1019609173.db2.gz QVOYOSTVBHKPHA-NSHDSACASA-N -1 0 315.347 -0.416 20 0 DBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001610068618 1019610473 /nfs/dbraw/zinc/61/04/73/1019610473.db2.gz WGZKDPMUYVYJLA-FOGDFJRCSA-N -1 0 311.338 -0.463 20 0 DBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001610068620 1019610607 /nfs/dbraw/zinc/61/06/07/1019610607.db2.gz WGZKDPMUYVYJLA-SCVCMEIPSA-N -1 0 311.338 -0.463 20 0 DBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001610068616 1019610980 /nfs/dbraw/zinc/61/09/80/1019610980.db2.gz WGZKDPMUYVYJLA-CKYFFXLPSA-N -1 0 311.338 -0.463 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)cn1 ZINC001610072617 1019611111 /nfs/dbraw/zinc/61/11/11/1019611111.db2.gz HQTASVLCRILQAO-UHFFFAOYSA-N -1 0 322.321 -0.584 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001610084137 1019611190 /nfs/dbraw/zinc/61/11/90/1019611190.db2.gz LESGIYGNRRSAPK-UHFFFAOYSA-N -1 0 303.340 -0.497 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001610084088 1019611249 /nfs/dbraw/zinc/61/12/49/1019611249.db2.gz HQRNAOGYMMJDIV-PSASIEDQSA-N -1 0 303.340 -0.498 20 0 DBADRM CCn1cccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)c1=O ZINC001610084364 1019611863 /nfs/dbraw/zinc/61/18/63/1019611863.db2.gz DDIFGWJSCGOIEP-NSHDSACASA-N -1 0 309.322 -0.137 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N(CCO)C[C@@H](C)O ZINC001610075946 1019611887 /nfs/dbraw/zinc/61/18/87/1019611887.db2.gz AZUSEIJJWGHJBP-MRVPVSSYSA-N -1 0 321.351 -0.096 20 0 DBADRM CCn1nccc1NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001610085977 1019612029 /nfs/dbraw/zinc/61/20/29/1019612029.db2.gz LAYCNLPKJPUBRL-VIFPVBQESA-N -1 0 310.310 -0.456 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])no1 ZINC001610059358 1019612087 /nfs/dbraw/zinc/61/20/87/1019612087.db2.gz TYWLMFIIWSRYPY-PSASIEDQSA-N -1 0 311.294 -0.388 20 0 DBADRM CN(C)C(=O)CC1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC001610094081 1019613688 /nfs/dbraw/zinc/61/36/88/1019613688.db2.gz DSUOJTHPAXWUAC-UHFFFAOYSA-N -1 0 323.353 -0.307 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)nn1 ZINC001610094410 1019613781 /nfs/dbraw/zinc/61/37/81/1019613781.db2.gz RPBGERYSAIIFFV-LBPRGKRZSA-N -1 0 313.289 -0.995 20 0 DBADRM CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)c1ncc(C(=O)[O-])s1 ZINC001610089712 1019614290 /nfs/dbraw/zinc/61/42/90/1019614290.db2.gz XGTIDOUJWDUQCP-ZETCQYMHSA-N -1 0 319.364 -0.162 20 0 DBADRM CN(C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)C(C1CC1)C1CC1 ZINC001610088357 1019614584 /nfs/dbraw/zinc/61/45/84/1019614584.db2.gz VROIVSAQOMDGBT-NWDGAFQWSA-N -1 0 324.377 -0.073 20 0 DBADRM CN(C)C(=O)CNC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001610093649 1019615293 /nfs/dbraw/zinc/61/52/93/1019615293.db2.gz MIMSVYCFCVLOEH-UHFFFAOYSA-N -1 0 324.341 -0.589 20 0 DBADRM CN(C)c1nccc(CNC(=O)C(=O)NCCCCC(=O)[O-])n1 ZINC001610107290 1019616827 /nfs/dbraw/zinc/61/68/27/1019616827.db2.gz CHWJTAMPXNHGSR-UHFFFAOYSA-N -1 0 323.353 -0.470 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001610107258 1019617220 /nfs/dbraw/zinc/61/72/20/1019617220.db2.gz BSZGEKABIZGIMQ-SECBINFHSA-N -1 0 321.337 -0.053 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001610110303 1019617458 /nfs/dbraw/zinc/61/74/58/1019617458.db2.gz AAESSPGVWHSQOC-UHFFFAOYSA-N -1 0 318.289 -0.252 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)c1cncc(C(=O)[O-])c1 ZINC001610111047 1019617844 /nfs/dbraw/zinc/61/78/44/1019617844.db2.gz ODONSYBKHYFLJS-ZDUSSCGKSA-N -1 0 323.349 -0.455 20 0 DBADRM CN(C)S(=O)(=O)C[C@H](NC(=O)CCC(=O)[O-])C(F)(F)F ZINC001610103265 1019618606 /nfs/dbraw/zinc/61/86/06/1019618606.db2.gz TWEAFJMQQKDAGE-LURJTMIESA-N -1 0 320.289 -0.210 20 0 DBADRM CN(CCOCCO)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001610118333 1019619796 /nfs/dbraw/zinc/61/97/96/1019619796.db2.gz JUJDBJZXINYXFK-UHFFFAOYSA-N -1 0 310.353 -0.529 20 0 DBADRM CN(CC(N)=O)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001610111905 1019620695 /nfs/dbraw/zinc/62/06/95/1019620695.db2.gz WNEHMDNRPIQUEO-LBPRGKRZSA-N -1 0 305.334 -0.558 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001610111446 1019621171 /nfs/dbraw/zinc/62/11/71/1019621171.db2.gz QWKWRPLNSOJAAI-LLVKDONJSA-N -1 0 309.322 -0.109 20 0 DBADRM CC(C)CCCC(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575526507 1019621316 /nfs/dbraw/zinc/62/13/16/1019621316.db2.gz UAIRFAQHTVXPHF-UHFFFAOYSA-N -1 0 311.342 -0.045 20 0 DBADRM CN(CCOCCO)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001610118588 1019621403 /nfs/dbraw/zinc/62/14/03/1019621403.db2.gz QHYRCVAZGLUHRH-GHMZBOCLSA-N -1 0 309.384 -0.100 20 0 DBADRM CN(CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O)S(C)(=O)=O ZINC001610119019 1019621523 /nfs/dbraw/zinc/62/15/23/1019621523.db2.gz LTWWOTKVPVOXJJ-JTQLQIEISA-N -1 0 307.328 -0.989 20 0 DBADRM CC(C)[C@]1(C)C[C@H]1C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575526458 1019621989 /nfs/dbraw/zinc/62/19/89/1019621989.db2.gz SGFTVDZLYHVJQE-RTHLEPHNSA-N -1 0 323.353 -0.189 20 0 DBADRM CN([C@H]1CCN(C)C1=O)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001610130556 1019623279 /nfs/dbraw/zinc/62/32/79/1019623279.db2.gz UODNIGGSTSXMBM-LURJTMIESA-N -1 0 319.364 -0.308 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610127285 1019623648 /nfs/dbraw/zinc/62/36/48/1019623648.db2.gz CFMUTBFBRPGEPC-MWLCHTKSSA-N -1 0 321.337 -0.239 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])C1=O ZINC001610127489 1019623676 /nfs/dbraw/zinc/62/36/76/1019623676.db2.gz MPBYNNXZQLEIBK-NRPADANISA-N -1 0 323.305 -0.881 20 0 DBADRM CN(C[C@H](O)CO)C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001610119464 1019623698 /nfs/dbraw/zinc/62/36/98/1019623698.db2.gz YDNLLZHJKLVUCX-QMMMGPOBSA-N -1 0 314.269 -0.726 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC001610133415 1019624419 /nfs/dbraw/zinc/62/44/19/1019624419.db2.gz JDZCDKBYWRUVOG-UHFFFAOYSA-N -1 0 322.365 -0.383 20 0 DBADRM CN(Cc1ccco1)C(=O)CN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001610125069 1019624960 /nfs/dbraw/zinc/62/49/60/1019624960.db2.gz DPHTXIHDUYGBEM-GFCCVEGCSA-N -1 0 323.349 -0.097 20 0 DBADRM CN1CCN(CC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])CC1=O ZINC001610135025 1019626366 /nfs/dbraw/zinc/62/63/66/1019626366.db2.gz NGXDZPIFCYNCAW-ZETCQYMHSA-N -1 0 311.260 -0.718 20 0 DBADRM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001610142751 1019629693 /nfs/dbraw/zinc/62/96/93/1019629693.db2.gz NFJRGUSIWAYPRJ-DTWKUNHWSA-N -1 0 307.372 -0.858 20 0 DBADRM CNC(=O)C(C)(C)CN1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001610142078 1019630037 /nfs/dbraw/zinc/63/00/37/1019630037.db2.gz IGLTYIUEYJGDES-BDAKNGLRSA-N -1 0 311.338 -0.114 20 0 DBADRM CNC(=O)NCCC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC001610140631 1019630662 /nfs/dbraw/zinc/63/06/62/1019630662.db2.gz CNJJWYKFOZOSDZ-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM CNC(=O)c1cccc(NC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC001610144125 1019630905 /nfs/dbraw/zinc/63/09/05/1019630905.db2.gz PBTOFXUMCLDDCH-UHFFFAOYSA-N -1 0 303.278 -0.025 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2c(C)coc2CC(=O)[O-])CC1 ZINC001610140045 1019631174 /nfs/dbraw/zinc/63/11/74/1019631174.db2.gz JHWIQDPJKBDNGY-UHFFFAOYSA-N -1 0 323.349 -0.281 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001610143702 1019631474 /nfs/dbraw/zinc/63/14/74/1019631474.db2.gz UTDRRJSPCWXTKV-RKDXNWHRSA-N -1 0 324.341 -0.810 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001610140945 1019631628 /nfs/dbraw/zinc/63/16/28/1019631628.db2.gz CEBBNUQRQJQZAT-YFKPBYRVSA-N -1 0 321.742 -0.154 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1nccn2cc(C)nc12 ZINC001610150526 1019633164 /nfs/dbraw/zinc/63/31/64/1019633164.db2.gz GICZSOGUMPXIHH-QMMMGPOBSA-N -1 0 306.278 -0.216 20 0 DBADRM CNS(=O)(=O)CCNC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001610146419 1019633353 /nfs/dbraw/zinc/63/33/53/1019633353.db2.gz BEJHBENLJBOSLJ-UHFFFAOYSA-N -1 0 300.336 -0.028 20 0 DBADRM COC(=O)[C@H](CF)NS(=O)(=O)c1csnc1C(=O)[O-] ZINC001610151101 1019633489 /nfs/dbraw/zinc/63/34/89/1019633489.db2.gz NSUYQPABLTXQCU-BYPYZUCNSA-N -1 0 312.300 -0.369 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H]1CCCCS1(=O)=O ZINC001610151817 1019634562 /nfs/dbraw/zinc/63/45/62/1019634562.db2.gz FTOYEGZNIRSLDH-HTQZYQBOSA-N -1 0 307.324 -0.914 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1nccn2cc(C)nc12 ZINC001610150523 1019634731 /nfs/dbraw/zinc/63/47/31/1019634731.db2.gz GICZSOGUMPXIHH-MRVPVSSYSA-N -1 0 306.278 -0.216 20 0 DBADRM COC(=O)[C@H](CF)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001610152047 1019635764 /nfs/dbraw/zinc/63/57/64/1019635764.db2.gz WGQQTBDBONHNFU-ZETCQYMHSA-N -1 0 308.287 -0.487 20 0 DBADRM COC(=O)[C@H](NCCn1cc(C(=O)[O-])nn1)c1cccnc1 ZINC001610157884 1019636499 /nfs/dbraw/zinc/63/64/99/1019636499.db2.gz QUHNTTUTAQVNPB-LLVKDONJSA-N -1 0 305.294 -0.125 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)CCCC(=O)[O-])c1ccnn1C ZINC001610158751 1019636601 /nfs/dbraw/zinc/63/66/01/1019636601.db2.gz XCVZLDRYCDWJBD-SNVBAGLBSA-N -1 0 319.339 -0.582 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CCNC(=O)c1ccco1 ZINC001610153067 1019636649 /nfs/dbraw/zinc/63/66/49/1019636649.db2.gz NKYGNFDNCXGBHJ-MRVPVSSYSA-N -1 0 312.278 -0.468 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NCCCCC(=O)[O-])[C@H]1C ZINC001610165017 1019638928 /nfs/dbraw/zinc/63/89/28/1019638928.db2.gz FKULVTHCNNRMMN-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cc2ccnn2C)[C@H](C(=O)[O-])C1 ZINC001610168755 1019639072 /nfs/dbraw/zinc/63/90/72/1019639072.db2.gz IFCCQMDLCIEVQY-ONGXEEELSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cnc(OC)nc2)[C@H](C(=O)[O-])C1 ZINC001610164525 1019639604 /nfs/dbraw/zinc/63/96/04/1019639604.db2.gz AJRCYZZBYGGIDT-SCZZXKLOSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)C1CCC(NC(=O)CN(C)C(C)=O)(C(=O)[O-])CC1 ZINC001610169412 1019639761 /nfs/dbraw/zinc/63/97/61/1019639761.db2.gz WKKRUAKCOPNAMT-UHFFFAOYSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cnc(OC)nc1 ZINC001610170933 1019639900 /nfs/dbraw/zinc/63/99/00/1019639900.db2.gz HXXVVXYWLFTTCK-WPRPVWTQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CCC(=O)N(C)OC ZINC001610167519 1019640026 /nfs/dbraw/zinc/64/00/26/1019640026.db2.gz SSVISRHKNYRMFV-ZJUUUORDSA-N -1 0 302.327 -0.266 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCCC(N)=O ZINC001610178413 1019640986 /nfs/dbraw/zinc/64/09/86/1019640986.db2.gz XIYBFTDXEWDGCC-DTWKUNHWSA-N -1 0 300.311 -0.493 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H]1CCC[C@H](C(N)=O)C1)C(=O)[O-] ZINC001610179590 1019641984 /nfs/dbraw/zinc/64/19/84/1019641984.db2.gz GWOQWMIZOWSYPT-CIUDSAMLSA-N -1 0 300.311 -0.589 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2c(C(=O)[O-])cnn2C)CCO1 ZINC001610178027 1019642004 /nfs/dbraw/zinc/64/20/04/1019642004.db2.gz KCLXJEGBXSCZMW-QMMMGPOBSA-N -1 0 312.282 -0.476 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1Cc1cc(C(=O)[O-])c(C)n1C ZINC001610181108 1019642173 /nfs/dbraw/zinc/64/21/73/1019642173.db2.gz QPZHRNMUGAPDDQ-LBPRGKRZSA-N -1 0 323.349 -0.105 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cnc2nccnc2c1)C(=O)[O-] ZINC001610179260 1019642824 /nfs/dbraw/zinc/64/28/24/1019642824.db2.gz UMEPBGZOEJOWKS-VIFPVBQESA-N -1 0 304.262 -0.229 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)COCc1ncc(C)o1 ZINC001610181966 1019642993 /nfs/dbraw/zinc/64/29/93/1019642993.db2.gz JARAWEGCYLFMLK-UHFFFAOYSA-N -1 0 300.267 -0.414 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)[O-] ZINC001610182577 1019644068 /nfs/dbraw/zinc/64/40/68/1019644068.db2.gz IJTOHPSXNYNWEO-VHSXEESVSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC001610183308 1019644424 /nfs/dbraw/zinc/64/44/24/1019644424.db2.gz OBMZDPWSSIIBMY-ZJUUUORDSA-N -1 0 323.367 -0.167 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H](C)N1CCSCC1)C(=O)[O-] ZINC001610183012 1019644554 /nfs/dbraw/zinc/64/45/54/1019644554.db2.gz LTOHGDOUUFSPIY-NXEZZACHSA-N -1 0 318.395 -0.054 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CCc2nncn2C1)C(=O)[O-] ZINC001610183101 1019644811 /nfs/dbraw/zinc/64/48/11/1019644811.db2.gz ONAIVDBCKYIUBW-RKDXNWHRSA-N -1 0 310.310 -0.637 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)COCc1nnc(C)s1 ZINC001610182264 1019645156 /nfs/dbraw/zinc/64/51/56/1019645156.db2.gz VUAJKYVOSFWMOY-UHFFFAOYSA-N -1 0 317.323 -0.551 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1ccc2nnnn2c1)C(=O)[O-] ZINC001610182795 1019645688 /nfs/dbraw/zinc/64/56/88/1019645688.db2.gz MWVNVUPKLIBICM-MRVPVSSYSA-N -1 0 307.266 -0.740 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCn2ccnc2C1 ZINC001610191191 1019646951 /nfs/dbraw/zinc/64/69/51/1019646951.db2.gz OBWFNVWQUWXEST-VHSXEESVSA-N -1 0 309.322 -0.032 20 0 DBADRM COC(=O)N1CCC[N@H+](CCC(=O)N(C)CC(=O)[O-])CC1 ZINC001610189177 1019647590 /nfs/dbraw/zinc/64/75/90/1019647590.db2.gz ATHMTVKBDKQYII-UHFFFAOYSA-N -1 0 301.343 -0.306 20 0 DBADRM COC(=O)NCC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001610188310 1019648039 /nfs/dbraw/zinc/64/80/39/1019648039.db2.gz RALUBVMOVDPAIJ-JGVFFNPUSA-N -1 0 302.283 -0.793 20 0 DBADRM COC(=O)N(C)CCCC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001610188091 1019648187 /nfs/dbraw/zinc/64/81/87/1019648187.db2.gz ZWQXXYHPUZOORV-LLVKDONJSA-N -1 0 315.370 -0.060 20 0 DBADRM COC(=O)NCCNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001610186951 1019648461 /nfs/dbraw/zinc/64/84/61/1019648461.db2.gz CWKLSVMPMKANFD-BDAKNGLRSA-N -1 0 308.356 -0.095 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001610190279 1019648634 /nfs/dbraw/zinc/64/86/34/1019648634.db2.gz LCEHIZUFKDGJBW-XHNCKOQMSA-N -1 0 316.310 -0.404 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001610223134 1019650384 /nfs/dbraw/zinc/65/03/84/1019650384.db2.gz JOLWMPCCFVWWCW-SECBINFHSA-N -1 0 322.383 -0.594 20 0 DBADRM COC(=O)c1ccc(=O)n(CC(=O)N[C@H](C(=O)[O-])C(C)C)n1 ZINC001610207841 1019650756 /nfs/dbraw/zinc/65/07/56/1019650756.db2.gz NNXXATRTWBSVEX-NSHDSACASA-N -1 0 311.294 -0.745 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN1CC[C@H](n2cncn2)C1 ZINC001610197851 1019651335 /nfs/dbraw/zinc/65/13/35/1019651335.db2.gz VCGCQGUUJRJJJV-VIFPVBQESA-N -1 0 320.309 -0.136 20 0 DBADRM COC(=O)c1scc(C)c1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC001610222209 1019651370 /nfs/dbraw/zinc/65/13/70/1019651370.db2.gz WCMRQGNOPMOBLG-ZCFIWIBFSA-N -1 0 323.348 -0.433 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)N[C@H](CF)C(=O)[O-] ZINC001610220821 1019651633 /nfs/dbraw/zinc/65/16/33/1019651633.db2.gz PZEIQAALPQABSK-SCSAIBSYSA-N -1 0 312.300 -0.369 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CC(=O)NC[C@H]2CCCO2)n1 ZINC001610194889 1019651755 /nfs/dbraw/zinc/65/17/55/1019651755.db2.gz DMJQDAGAFQDINT-MRVPVSSYSA-N -1 0 311.294 -0.337 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@@H]1NC(=O)O[C@@H]1C)OC ZINC001610229388 1019653368 /nfs/dbraw/zinc/65/33/68/1019653368.db2.gz JEFMAWZYTZOLIJ-GMSGAONNSA-N -1 0 304.299 -0.595 20 0 DBADRM COCC1(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)CC1 ZINC001610248967 1019659623 /nfs/dbraw/zinc/65/96/23/1019659623.db2.gz BIFMZCLXLSDJNW-UHFFFAOYSA-N -1 0 306.384 -0.413 20 0 DBADRM CO[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@H](C(=O)[O-])C1 ZINC001610239402 1019653869 /nfs/dbraw/zinc/65/38/69/1019653869.db2.gz PRYLUFFFCMGBSQ-ZJUUUORDSA-N -1 0 322.383 -0.642 20 0 DBADRM CO[C@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)[C@@H](C(=O)[O-])C1 ZINC001610236057 1019653916 /nfs/dbraw/zinc/65/39/16/1019653916.db2.gz BMMKSVJEVZPCNL-GXSJLCMTSA-N -1 0 307.306 -0.115 20 0 DBADRM CO[C@@H]1CCC[C@@H]([C@H](NCc2nc(N)nc(N)n2)C(=O)[O-])C1 ZINC001610235881 1019654377 /nfs/dbraw/zinc/65/43/77/1019654377.db2.gz RHOHSQQDJLSGPQ-MRTMQBJTSA-N -1 0 310.358 -0.216 20 0 DBADRM COC[C@@H](NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1)C1CC1 ZINC001610246345 1019655083 /nfs/dbraw/zinc/65/50/83/1019655083.db2.gz ZLZGNCHLMXREOX-WDEREUQCSA-N -1 0 314.338 -0.770 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001610246590 1019657056 /nfs/dbraw/zinc/65/70/56/1019657056.db2.gz DGNBTSNWWGAXHK-AEJSXWLSSA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@](C)(NC(=O)CCn1c(C)cc(O)cc1=O)C(=O)[O-] ZINC001610244780 1019657193 /nfs/dbraw/zinc/65/71/93/1019657193.db2.gz SHZCJXGXHADTNI-AWEZNQCLSA-N -1 0 312.322 -0.142 20 0 DBADRM COC[C@H](NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)C(N)=O ZINC001610250810 1019658343 /nfs/dbraw/zinc/65/83/43/1019658343.db2.gz MZBRGWHTGWWGOC-NSHDSACASA-N -1 0 324.333 -0.003 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(=O)OC ZINC001610250193 1019658372 /nfs/dbraw/zinc/65/83/72/1019658372.db2.gz UVOPXHWZCPDIGP-RXMQYKEDSA-N -1 0 324.336 -0.692 20 0 DBADRM COC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1C)C(=O)[O-] ZINC001610250814 1019659415 /nfs/dbraw/zinc/65/94/15/1019659415.db2.gz NHIRFNRUHXIMGD-SNVBAGLBSA-N -1 0 316.335 -0.528 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1C)C(N)=O ZINC001610250311 1019659683 /nfs/dbraw/zinc/65/96/83/1019659683.db2.gz HNOLHNKQEXBRRR-VIFPVBQESA-N -1 0 316.335 -0.528 20 0 DBADRM COCC1(C(=O)O[C@H](CC(=O)[O-])C(=O)OC)CCOCC1 ZINC001610247687 1019659697 /nfs/dbraw/zinc/65/96/97/1019659697.db2.gz GRPITUNBNUSFRA-SECBINFHSA-N -1 0 304.295 -0.011 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(C)cc1C(=O)[O-])C(N)=O ZINC001610249461 1019659908 /nfs/dbraw/zinc/65/99/08/1019659908.db2.gz DDNUOZZZDYVOPM-SECBINFHSA-N -1 0 316.335 -0.528 20 0 DBADRM COC[C@@H](NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)C(N)=O ZINC001610250794 1019659970 /nfs/dbraw/zinc/65/99/70/1019659970.db2.gz MZBRGWHTGWWGOC-LLVKDONJSA-N -1 0 324.333 -0.003 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CCOC[C@H]2CC(=O)[O-])C1=O ZINC001610251452 1019659978 /nfs/dbraw/zinc/65/99/78/1019659978.db2.gz ZFFRKHZPGVVJNH-NOZJJQNGSA-N -1 0 315.326 -0.924 20 0 DBADRM COC[C@H](OC(=O)CN1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC001610248207 1019660033 /nfs/dbraw/zinc/66/00/33/1019660033.db2.gz IRGCFXOYVQSLBV-LBPRGKRZSA-N -1 0 323.349 -0.154 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC001610257017 1019661991 /nfs/dbraw/zinc/66/19/91/1019661991.db2.gz PREFTOUGVAXLNN-NXEZZACHSA-N -1 0 322.383 -0.688 20 0 DBADRM COCCCOCC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001610257192 1019662277 /nfs/dbraw/zinc/66/22/77/1019662277.db2.gz BJKSHWJPSSENAH-GHMZBOCLSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCCNC(=O)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001610257291 1019662320 /nfs/dbraw/zinc/66/23/20/1019662320.db2.gz LCYPVGSIOKLKNY-SECBINFHSA-N -1 0 304.368 -0.585 20 0 DBADRM COCCn1ccc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])n1 ZINC001610266616 1019664312 /nfs/dbraw/zinc/66/43/12/1019664312.db2.gz DUYJAYXGTDGOEZ-NSHDSACASA-N -1 0 307.310 -0.391 20 0 DBADRM COCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001610261627 1019664467 /nfs/dbraw/zinc/66/44/67/1019664467.db2.gz KPJMRYPPZBRFNF-NSHDSACASA-N -1 0 308.290 -0.372 20 0 DBADRM COCCN(Cc1ccnn1C)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001610262792 1019664560 /nfs/dbraw/zinc/66/45/60/1019664560.db2.gz PPXJSBBOGHKWBB-SNVBAGLBSA-N -1 0 319.383 -0.081 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)Cn3nccn3)CC2)c1[O-] ZINC001506014066 1019664832 /nfs/dbraw/zinc/66/48/32/1019664832.db2.gz QIZJBEWMELCKQD-UHFFFAOYSA-N -1 0 319.325 -0.906 20 0 DBADRM COCCn1cc(S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-])cn1 ZINC001610268500 1019664851 /nfs/dbraw/zinc/66/48/51/1019664851.db2.gz WFVYFBMIHYCHPP-VIFPVBQESA-N -1 0 321.355 -0.968 20 0 DBADRM COCCNC(=O)c1ccc(N2C[C@H](O)C[C@@H](C(=O)[O-])C2)nc1 ZINC001610261771 1019664887 /nfs/dbraw/zinc/66/48/87/1019664887.db2.gz OGPGMIMMBSYAEY-VXGBXAGGSA-N -1 0 323.349 -0.270 20 0 DBADRM COCCOCC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001610264412 1019664911 /nfs/dbraw/zinc/66/49/11/1019664911.db2.gz WEDWCGYHFGSVAE-VHSXEESVSA-N -1 0 303.311 -0.486 20 0 DBADRM COCCn1c(COC)nnc1N1CCO[C@H](CC(=O)[O-])C1 ZINC001610265095 1019665301 /nfs/dbraw/zinc/66/53/01/1019665301.db2.gz CSGJMLFPJDUYJG-SNVBAGLBSA-N -1 0 314.342 -0.249 20 0 DBADRM COCCn1cc(CNS(=O)(=O)CCCC(=O)[O-])cn1 ZINC001610268287 1019665597 /nfs/dbraw/zinc/66/55/97/1019665597.db2.gz UICCVTIFNZASLX-UHFFFAOYSA-N -1 0 305.356 -0.186 20 0 DBADRM COCCOC1CN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001610263372 1019665800 /nfs/dbraw/zinc/66/58/00/1019665800.db2.gz KLNUMWHQELUTCI-UHFFFAOYSA-N -1 0 313.314 -0.967 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001610275599 1019667148 /nfs/dbraw/zinc/66/71/48/1019667148.db2.gz HHPWBNPERAGMCK-UHFFFAOYSA-N -1 0 308.356 -0.429 20 0 DBADRM COCc1nocc1C(=O)N[C@H](CCC(=O)[O-])C(=O)OC ZINC001610274261 1019667717 /nfs/dbraw/zinc/66/77/17/1019667717.db2.gz AGILKEBUMAFNHW-MRVPVSSYSA-N -1 0 300.267 -0.043 20 0 DBADRM COc1c(NC(=O)C(=O)NC(C)(C)C(=O)[O-])cccc1C(N)=O ZINC001610278514 1019668038 /nfs/dbraw/zinc/66/80/38/1019668038.db2.gz OGLSNJROILPDNC-UHFFFAOYSA-N -1 0 323.305 -0.288 20 0 DBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001610275117 1019668250 /nfs/dbraw/zinc/66/82/50/1019668250.db2.gz KXNRRWCKCNTCMQ-RKDXNWHRSA-N -1 0 305.308 -0.022 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001610275997 1019668484 /nfs/dbraw/zinc/66/84/84/1019668484.db2.gz OZAUJEPSUIPBBJ-UHFFFAOYSA-N -1 0 320.298 -0.178 20 0 DBADRM CCOC(=O)C1=C(COC(=O)[C@H](C)C(=O)[O-])NC(=O)N[C@H]1C ZINC001610314136 1019669738 /nfs/dbraw/zinc/66/97/38/1019669738.db2.gz ATGLFRPBMFIWSE-RQJHMYQMSA-N -1 0 314.294 -0.231 20 0 DBADRM COc1cccc([C@H](O)C(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC001610355902 1019669911 /nfs/dbraw/zinc/66/99/11/1019669911.db2.gz XTMYKSCSWJBBEJ-LBPRGKRZSA-N -1 0 320.305 -0.165 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001610365411 1019670295 /nfs/dbraw/zinc/67/02/95/1019670295.db2.gz ZDXFFAZCGAJJGQ-LLVKDONJSA-N -1 0 322.317 -0.263 20 0 DBADRM CCNC(=O)C[C@H]1CCCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001610302496 1019670670 /nfs/dbraw/zinc/67/06/70/1019670670.db2.gz VJUXSOBZEHQPRP-LLVKDONJSA-N -1 0 320.411 -0.134 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC001610373297 1019672937 /nfs/dbraw/zinc/67/29/37/1019672937.db2.gz VUZTVGFEWZJQIE-MRVPVSSYSA-N -1 0 310.310 -0.263 20 0 DBADRM CS(=O)(=O)CCC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610371852 1019673531 /nfs/dbraw/zinc/67/35/31/1019673531.db2.gz CAFPQGATSNHJCR-MRVPVSSYSA-N -1 0 316.339 -0.816 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCN(CC(=O)NCCC(=O)[O-])C1 ZINC001610372666 1019674162 /nfs/dbraw/zinc/67/41/62/1019674162.db2.gz SNXAPALZVDZOIK-JTQLQIEISA-N -1 0 306.384 -0.666 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC001610373532 1019674726 /nfs/dbraw/zinc/67/47/26/1019674726.db2.gz YSLNSUZKDFZERU-HTQZYQBOSA-N -1 0 308.294 -0.207 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2CCO)C[C@H]1C(=O)[O-] ZINC001610392886 1019676587 /nfs/dbraw/zinc/67/65/87/1019676587.db2.gz OSUOQJHTBSEUDB-DDHJBXDOSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H](CO)N(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001610393400 1019676820 /nfs/dbraw/zinc/67/68/20/1019676820.db2.gz BMTXKEPYFOCWKV-BXKDBHETSA-N -1 0 322.317 -0.296 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001610379239 1019677105 /nfs/dbraw/zinc/67/71/05/1019677105.db2.gz PKHBSBCHECOZCZ-NRFANRHFSA-N -1 0 315.351 -0.491 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC(F)(F)C[C@H]2CO)C[C@H]1C(=O)[O-] ZINC001610390879 1019677415 /nfs/dbraw/zinc/67/74/15/1019677415.db2.gz YVEIRYPRLJHWJZ-HRDYMLBCSA-N -1 0 320.292 -0.606 20 0 DBADRM CS[C@@H]1CCN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001610382952 1019677854 /nfs/dbraw/zinc/67/78/54/1019677854.db2.gz ZMCJXYPWZBULSM-IVZWLZJFSA-N -1 0 316.379 -0.756 20 0 DBADRM Cc1c(C(=O)N[C@]2(C(=O)[O-])CCOC2)nnn1-c1ccn(C)n1 ZINC001610406138 1019680159 /nfs/dbraw/zinc/68/01/59/1019680159.db2.gz FVNFRPOCZPYTGU-CYBMUJFWSA-N -1 0 320.309 -0.717 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1C[C@H](O)C[C@H]1CO ZINC001610438983 1019681956 /nfs/dbraw/zinc/68/19/56/1019681956.db2.gz JTMZTQWYYGPXPM-WDEREUQCSA-N -1 0 322.317 -0.414 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)sn1 ZINC001610468996 1019682424 /nfs/dbraw/zinc/68/24/24/1019682424.db2.gz FLGGPMNPMAFJHT-JGVFFNPUSA-N -1 0 313.335 -0.316 20 0 DBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NC[C@@H](C)O ZINC001610477038 1019682600 /nfs/dbraw/zinc/68/26/00/1019682600.db2.gz CIBMDHJANSLMKF-SECBINFHSA-N -1 0 310.306 -0.106 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001610475615 1019683075 /nfs/dbraw/zinc/68/30/75/1019683075.db2.gz GLRWVOOAYHJDTO-GWCFXTLKSA-N -1 0 310.306 -0.701 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)no1 ZINC001610468753 1019684154 /nfs/dbraw/zinc/68/41/54/1019684154.db2.gz BDZFNXNJUCWRSF-SECBINFHSA-N -1 0 324.337 -0.071 20 0 DBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H](CO)NC(N)=O ZINC001610477489 1019684287 /nfs/dbraw/zinc/68/42/87/1019684287.db2.gz ZHMGACSRFRZWFE-JTQLQIEISA-N -1 0 311.294 -0.574 20 0 DBADRM CCc1cnccc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001610437782 1019684371 /nfs/dbraw/zinc/68/43/71/1019684371.db2.gz FLFPZPNXSZQFBA-LLVKDONJSA-N -1 0 312.347 -0.032 20 0 DBADRM Cc1cccc(S(=O)(=O)NCCOCC(N)=O)c1C(=O)[O-] ZINC001610526777 1019685029 /nfs/dbraw/zinc/68/50/29/1019685029.db2.gz XAPMLCXZOCSMFD-UHFFFAOYSA-N -1 0 316.335 -0.527 20 0 DBADRM Cc1cnc(S(=O)(=O)CCc2cn(CC(=O)[O-])nn2)nc1 ZINC001610540552 1019685099 /nfs/dbraw/zinc/68/50/99/1019685099.db2.gz VNTIRRQDTOYFMU-UHFFFAOYSA-N -1 0 311.323 -0.522 20 0 DBADRM Cc1cnc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC001610539910 1019685572 /nfs/dbraw/zinc/68/55/72/1019685572.db2.gz XLNYMHYHKWJPKJ-QMMMGPOBSA-N -1 0 313.335 -0.620 20 0 DBADRM Cc1ccnc2nc(C(=O)N[C@@H](C(=O)[O-])c3ccn(C)n3)nn21 ZINC001610536474 1019685670 /nfs/dbraw/zinc/68/56/70/1019685670.db2.gz VQIGEKMDFMWXFN-SECBINFHSA-N -1 0 315.293 -0.278 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])o1 ZINC001610513046 1019686139 /nfs/dbraw/zinc/68/61/39/1019686139.db2.gz VPYWDZWPAPYLFG-MRVPVSSYSA-N -1 0 302.308 -0.448 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC001610501130 1019686351 /nfs/dbraw/zinc/68/63/51/1019686351.db2.gz YBVMAHYXZHYSPQ-LLVKDONJSA-N -1 0 307.306 -0.682 20 0 DBADRM Cc1ccc(-c2nnn(CC(=O)NC[C@H](O)C(=O)[O-])n2)cc1 ZINC001610481381 1019686565 /nfs/dbraw/zinc/68/65/65/1019686565.db2.gz JGLXZOZFTWZFGQ-JTQLQIEISA-N -1 0 305.294 -0.790 20 0 DBADRM Cc1cnc(NC(=O)C(=O)NCCn2cc(C(=O)[O-])nn2)s1 ZINC001610540079 1019686814 /nfs/dbraw/zinc/68/68/14/1019686814.db2.gz WYCDFGKDCORPHM-UHFFFAOYSA-N -1 0 324.322 -0.504 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)Cc1cncn1C ZINC001506045940 1019687012 /nfs/dbraw/zinc/68/70/12/1019687012.db2.gz GUUSXYTZFCOZQJ-VIFPVBQESA-N -1 0 323.357 -0.941 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c(=O)[nH]1 ZINC001610503738 1019686951 /nfs/dbraw/zinc/68/69/51/1019686951.db2.gz CZBJXIAQBHGFQE-DTWKUNHWSA-N -1 0 323.305 -0.672 20 0 DBADRM Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H](CF)C(=O)[O-])c1 ZINC001610514441 1019687163 /nfs/dbraw/zinc/68/71/63/1019687163.db2.gz RQSAUDQLLPXGLA-MRVPVSSYSA-N -1 0 304.299 -0.205 20 0 DBADRM Cc1nc(N(C)C)nc(N2CC(n3cc(C(=O)[O-])nn3)C2)n1 ZINC001610557067 1019688250 /nfs/dbraw/zinc/68/82/50/1019688250.db2.gz QNEXRKSMRBLWIU-UHFFFAOYSA-N -1 0 304.314 -0.403 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)cn1C ZINC001610560957 1019688639 /nfs/dbraw/zinc/68/86/39/1019688639.db2.gz QWRKFQPOEKOPNQ-JTQLQIEISA-N -1 0 313.339 -0.434 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)n1 ZINC001610564211 1019688471 /nfs/dbraw/zinc/68/84/71/1019688471.db2.gz NWIMVBZQZXTWBV-GZMMTYOYSA-N -1 0 306.322 -0.277 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001610564823 1019688553 /nfs/dbraw/zinc/68/85/53/1019688553.db2.gz FYGFDGXBSKCTIT-MWLCHTKSSA-N -1 0 308.338 -0.513 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c1C ZINC001610568174 1019688928 /nfs/dbraw/zinc/68/89/28/1019688928.db2.gz DOKAESAJHKNAAF-GFCCVEGCSA-N -1 0 323.349 -0.305 20 0 DBADRM Cc1nc(C)c(CC(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])c(=O)[nH]1 ZINC001610553625 1019690081 /nfs/dbraw/zinc/69/00/81/1019690081.db2.gz NJAINZZAQNMXMN-NSHDSACASA-N -1 0 319.321 -0.192 20 0 DBADRM Cc1occc1C(=O)NCC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001610588005 1019692523 /nfs/dbraw/zinc/69/25/23/1019692523.db2.gz HIPDTZWTIKCBBX-JQWIXIFHSA-N -1 0 310.306 -0.246 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001610569428 1019692966 /nfs/dbraw/zinc/69/29/66/1019692966.db2.gz XKYJDMWHKRMBSV-VIFPVBQESA-N -1 0 322.321 -0.979 20 0 DBADRM Cc1occc1C(=O)NCC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001610588006 1019693070 /nfs/dbraw/zinc/69/30/70/1019693070.db2.gz HIPDTZWTIKCBBX-PWSUYJOCSA-N -1 0 310.306 -0.246 20 0 DBADRM Cc1sc2ncc(C(=O)N[C@H](CO)C(=O)[O-])c(=O)n2c1C ZINC001610593819 1019694432 /nfs/dbraw/zinc/69/44/32/1019694432.db2.gz YFVPFCCWZPSOSN-MRVPVSSYSA-N -1 0 311.319 -0.452 20 0 DBADRM Cc1ocnc1CNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001610588302 1019694993 /nfs/dbraw/zinc/69/49/93/1019694993.db2.gz BPFWVSUBEMETMY-SECBINFHSA-N -1 0 311.294 -0.699 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001610598658 1019695039 /nfs/dbraw/zinc/69/50/39/1019695039.db2.gz GHBVKWBRSLKBJJ-SNVBAGLBSA-N -1 0 323.758 -0.014 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC3(C(=O)[O-])CCC3)cnc21 ZINC001610594567 1019695338 /nfs/dbraw/zinc/69/53/38/1019695338.db2.gz QDPUIZABFMSCCT-UHFFFAOYSA-N -1 0 318.289 -0.229 20 0 DBADRM Cc1occc1CNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001610588309 1019695645 /nfs/dbraw/zinc/69/56/45/1019695645.db2.gz CBJRCHROUHKDTM-MNOVXSKESA-N -1 0 310.306 -0.502 20 0 DBADRM Cn1cc(CN2CCN(S(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC001610602829 1019697006 /nfs/dbraw/zinc/69/70/06/1019697006.db2.gz OQHQGQBONCOSDJ-UHFFFAOYSA-N -1 0 301.368 -0.200 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2C[C@H](O)C(C)(C)C2)cc1C(=O)[O-] ZINC001610604593 1019697104 /nfs/dbraw/zinc/69/71/04/1019697104.db2.gz MVLSKEXQSKMPEW-JTQLQIEISA-N -1 0 309.322 -0.109 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)C34CC(C(=O)[O-])(C3)C4)C2=O)cn1 ZINC001610604153 1019697285 /nfs/dbraw/zinc/69/72/85/1019697285.db2.gz CNHCRQQGGXSGDB-SFNBMPIDSA-N -1 0 318.333 -0.104 20 0 DBADRM Cn1cc2c(n1)CCC[C@@H]2C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001610607039 1019697497 /nfs/dbraw/zinc/69/74/97/1019697497.db2.gz DDEVWLKKFRRNSP-CABZTGNLSA-N -1 0 320.349 -0.358 20 0 DBADRM Cn1ccc(=O)n(CC(=O)Nc2ccccc2C(=O)[O-])c1=O ZINC001610607385 1019697627 /nfs/dbraw/zinc/69/76/27/1019697627.db2.gz YUHDWCZKIOTBQF-UHFFFAOYSA-N -1 0 303.274 -0.116 20 0 DBADRM Cn1cc(CN2CCN(CN3C[C@H](C(=O)[O-])CC3=O)CC2)cn1 ZINC001610602419 1019697737 /nfs/dbraw/zinc/69/77/37/1019697737.db2.gz ASZAEYZMPFEISR-CYBMUJFWSA-N -1 0 321.381 -0.572 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@@]2(C)CCOC2=O)cc1C(=O)[O-] ZINC001610604058 1019698141 /nfs/dbraw/zinc/69/81/41/1019698141.db2.gz CDRXGNQGJKYPST-ZDUSSCGKSA-N -1 0 309.278 -0.516 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)cn1 ZINC001610603956 1019698157 /nfs/dbraw/zinc/69/81/57/1019698157.db2.gz WWRNLLNBBGWSLA-QWHCGFSZSA-N -1 0 319.317 -0.029 20 0 DBADRM Cn1ccnc1CN1CCN(CN2C[C@@H](C(=O)[O-])OC2=O)CC1 ZINC001610609930 1019698398 /nfs/dbraw/zinc/69/83/98/1019698398.db2.gz NZHTUEGSECILKR-NSHDSACASA-N -1 0 323.353 -0.599 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCC[S@@](C)=O)cc1C(=O)[O-] ZINC001610604424 1019698414 /nfs/dbraw/zinc/69/84/14/1019698414.db2.gz DLBHESHSYBVOFE-HXUWFJFHSA-N -1 0 301.324 -0.844 20 0 DBADRM Cn1cnn(CC(=O)N[C@@](C)(C(=O)[O-])c2ccc(F)cc2)c1=O ZINC001610611680 1019699548 /nfs/dbraw/zinc/69/95/48/1019699548.db2.gz QUISPSALIRRIGM-CQSZACIVSA-N -1 0 322.296 -0.163 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCC[C@@H](CO)C1 ZINC001610614357 1019699761 /nfs/dbraw/zinc/69/97/61/1019699761.db2.gz KEEVJHXBQOLMQR-MRVPVSSYSA-N -1 0 310.310 -0.712 20 0 DBADRM Cn1cnn(CC(=O)N(CCC(=O)[O-])Cc2ccncc2)c1=O ZINC001610611473 1019699859 /nfs/dbraw/zinc/69/98/59/1019699859.db2.gz JBOJTPUEEWKUJG-UHFFFAOYSA-N -1 0 319.321 -0.520 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCC[C@H](CO)C1 ZINC001610614362 1019700048 /nfs/dbraw/zinc/70/00/48/1019700048.db2.gz KEEVJHXBQOLMQR-QMMMGPOBSA-N -1 0 310.310 -0.712 20 0 DBADRM Cn1ncc(C(=O)CN2C(=O)N[C@](C)(CCC(=O)[O-])C2=O)n1 ZINC001610612385 1019700092 /nfs/dbraw/zinc/70/00/92/1019700092.db2.gz IOWQVQRJPGWDCG-GFCCVEGCSA-N -1 0 309.282 -0.827 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@@]1(C)CCCO1 ZINC001610613555 1019700160 /nfs/dbraw/zinc/70/01/60/1019700160.db2.gz BWRVEXNUGVSSEJ-CYBMUJFWSA-N -1 0 310.310 -0.258 20 0 DBADRM Cn1cnn(CC(=O)OCCOc2ccccc2C(=O)[O-])c1=O ZINC001610611949 1019700254 /nfs/dbraw/zinc/70/02/54/1019700254.db2.gz JNSSTEQQZGNWSH-UHFFFAOYSA-N -1 0 321.289 -0.098 20 0 DBADRM Cn1cncc1[C@@H]1CC(=O)N(CN2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001610611438 1019700592 /nfs/dbraw/zinc/70/05/92/1019700592.db2.gz IFLLJKSEFLCPEL-NEPJUHHUSA-N -1 0 322.365 -0.131 20 0 DBADRM Cn1cncc1CC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001610611480 1019700757 /nfs/dbraw/zinc/70/07/57/1019700757.db2.gz JGPRFRRFEFUVBH-UHFFFAOYSA-N -1 0 310.354 -0.792 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@](C)(O)C1CC1 ZINC001610614869 1019701351 /nfs/dbraw/zinc/70/13/51/1019701351.db2.gz WMWHLONRLMOJJJ-ZDUSSCGKSA-N -1 0 310.310 -0.666 20 0 DBADRM Cn1cnn(CC(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)c1=O ZINC001610612142 1019701373 /nfs/dbraw/zinc/70/13/73/1019701373.db2.gz UPGBHTKUNNIUSE-UHFFFAOYSA-N -1 0 320.261 -0.353 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N[C@H](CO)C(C)(C)C ZINC001610614051 1019701673 /nfs/dbraw/zinc/70/16/73/1019701673.db2.gz CSMLLIQQJXHFHQ-MRVPVSSYSA-N -1 0 312.326 -0.420 20 0 DBADRM Cn1nnc(CNC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)n1 ZINC001610617036 1019702242 /nfs/dbraw/zinc/70/22/42/1019702242.db2.gz GIWAUGWDVMBAMV-UHFFFAOYSA-N -1 0 318.293 -0.908 20 0 DBADRM Cn1nncc1CN1C(=O)NC2(CCC(C(=O)[O-])CC2)C1=O ZINC001610618414 1019702299 /nfs/dbraw/zinc/70/22/99/1019702299.db2.gz UKPWHAUKEOXEKW-UHFFFAOYSA-N -1 0 307.310 -0.120 20 0 DBADRM Cn1nnnc1CCNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001610617990 1019703324 /nfs/dbraw/zinc/70/33/24/1019703324.db2.gz NRBWNKYNTLVIIA-UHFFFAOYSA-N -1 0 305.294 -0.354 20 0 DBADRM NC(=O)CN1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001610637421 1019705257 /nfs/dbraw/zinc/70/52/57/1019705257.db2.gz BJRXPMDNOJIJTD-UHFFFAOYSA-N -1 0 305.334 -0.443 20 0 DBADRM NC(=O)CN1CCN(Cc2ccccc2CC(=O)[O-])CC1=O ZINC001610637420 1019706386 /nfs/dbraw/zinc/70/63/86/1019706386.db2.gz BIMWOFYIODHRRJ-UHFFFAOYSA-N -1 0 305.334 -0.557 20 0 DBADRM NC(=O)C1(C(=O)OCC(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001610634554 1019706748 /nfs/dbraw/zinc/70/67/48/1019706748.db2.gz BZOFMYRYGCCRNH-UHFFFAOYSA-N -1 0 307.262 -0.473 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1 ZINC001610636246 1019707157 /nfs/dbraw/zinc/70/71/57/1019707157.db2.gz HDRBQZRKULAKBE-WCQYABFASA-N -1 0 322.317 -0.399 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1 ZINC001610641570 1019708036 /nfs/dbraw/zinc/70/80/36/1019708036.db2.gz WPZROCICOMKDAV-MNOVXSKESA-N -1 0 322.317 -0.542 20 0 DBADRM NC(=O)c1cccc(C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)n1 ZINC001610641196 1019708255 /nfs/dbraw/zinc/70/82/55/1019708255.db2.gz CJPFFJBUUNWUOS-CQSZACIVSA-N -1 0 307.306 -0.066 20 0 DBADRM NC(=O)N[C@@H](CO)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001610638712 1019708490 /nfs/dbraw/zinc/70/84/90/1019708490.db2.gz YGCLFZRRMRSAJY-VIFPVBQESA-N -1 0 301.343 -0.443 20 0 DBADRM NC(=O)Cn1cc(C(=O)NCCc2cccc(C(=O)[O-])c2)nn1 ZINC001610638777 1019709354 /nfs/dbraw/zinc/70/93/54/1019709354.db2.gz LMGQCUXGVBUIBF-UHFFFAOYSA-N -1 0 317.305 -0.566 20 0 DBADRM NC(=O)N[C@H]1CCN(S(=O)(=O)CCCCCC(=O)[O-])C1 ZINC001610638493 1019710116 /nfs/dbraw/zinc/71/01/16/1019710116.db2.gz QNXXZCYDUCSTTB-VIFPVBQESA-N -1 0 307.372 -0.296 20 0 DBADRM NC(=O)Cn1cc(C(=O)OCc2ccsc2C(=O)[O-])nn1 ZINC001610638271 1019710165 /nfs/dbraw/zinc/71/01/65/1019710165.db2.gz BGMGLPBSHAUYBU-UHFFFAOYSA-N -1 0 310.291 -0.120 20 0 DBADRM CC1(C)OCC[C@H]1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001575752100 1019710790 /nfs/dbraw/zinc/71/07/90/1019710790.db2.gz SVVVAIWJBXAGFW-MRVPVSSYSA-N -1 0 321.345 -0.675 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCSC[C@H](C(=O)[O-])C2)S1 ZINC001610643680 1019711163 /nfs/dbraw/zinc/71/11/63/1019711163.db2.gz UDVNUNNFUOFFCI-RQJHMYQMSA-N -1 0 317.392 -0.181 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC001610647340 1019711669 /nfs/dbraw/zinc/71/16/69/1019711669.db2.gz GZHCTDZEAXZWLJ-UHFFFAOYSA-N -1 0 324.318 -0.133 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(c2cncc(C(=O)[O-])n2)C1 ZINC001610646068 1019711689 /nfs/dbraw/zinc/71/16/89/1019711689.db2.gz ZJGXXXHUMLBKSH-MRVPVSSYSA-N -1 0 300.340 -0.320 20 0 DBADRM Nc1cc(C(=O)O[C@@H](C(=O)[O-])C2CC2)ccc1S(N)(=O)=O ZINC001610649578 1019711904 /nfs/dbraw/zinc/71/19/04/1019711904.db2.gz KKUHCMBSRFLVGW-SNVBAGLBSA-N -1 0 314.319 -0.064 20 0 DBADRM NS(=O)(=O)CCNC(=O)CCc1ccccc1C(=O)[O-] ZINC001610645778 1019712224 /nfs/dbraw/zinc/71/22/24/1019712224.db2.gz IHNPWJTXBSSKCJ-UHFFFAOYSA-N -1 0 300.336 -0.278 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)ccn1 ZINC001610645870 1019712591 /nfs/dbraw/zinc/71/25/91/1019712591.db2.gz NWADPAURYDXJJA-MBTKJCJQSA-N -1 0 311.319 -0.868 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC001610920726 1019750284 /nfs/dbraw/zinc/75/02/84/1019750284.db2.gz VRJSJRGOFFRPGB-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM O=C([O-])C1(NC(=O)CCc2nc(-c3nc[nH]n3)no2)CCC1 ZINC001610660015 1019713705 /nfs/dbraw/zinc/71/37/05/1019713705.db2.gz OSCUPOYNBZACQQ-UHFFFAOYSA-N -1 0 306.282 -0.089 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CN2CCC(=O)NC2=O)nc1 ZINC001610662176 1019714041 /nfs/dbraw/zinc/71/40/41/1019714041.db2.gz CCEHPOBLNXQLDT-UHFFFAOYSA-N -1 0 306.278 -0.662 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)CNC(=O)CC2CCCC2)C1 ZINC001610650685 1019714111 /nfs/dbraw/zinc/71/41/11/1019714111.db2.gz IEBPHOHANNIZFR-NEPJUHHUSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)CCCCc1cn[nH]n1 ZINC001610655620 1019714133 /nfs/dbraw/zinc/71/41/33/1019714133.db2.gz JYRIDLVTEMPWSB-LLVKDONJSA-N -1 0 306.326 -0.016 20 0 DBADRM Nn1c(SC[C@H](O)CC(=O)[O-])nnc1C1CCOCC1 ZINC001610652625 1019715416 /nfs/dbraw/zinc/71/54/16/1019715416.db2.gz MOHLNOIPNBWOCE-MRVPVSSYSA-N -1 0 302.356 -0.186 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)C(=O)c3ccc(O)cc3)C2)nn1 ZINC001610653098 1019716185 /nfs/dbraw/zinc/71/61/85/1019716185.db2.gz PWOFCWQNYFVCCC-UHFFFAOYSA-N -1 0 316.273 -0.052 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCn1cnc2sccc2c1=O ZINC001610661079 1019716351 /nfs/dbraw/zinc/71/63/51/1019716351.db2.gz VPPOWDHZNUTNPG-QMMMGPOBSA-N -1 0 311.319 -0.590 20 0 DBADRM O=C([O-])c1cn(CC(=O)O[C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)nn1 ZINC001610677741 1019716902 /nfs/dbraw/zinc/71/69/02/1019716902.db2.gz IIGKOLOVNVGRDY-IQJOONFLSA-N -1 0 322.321 -0.033 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC001610683315 1019717387 /nfs/dbraw/zinc/71/73/87/1019717387.db2.gz QLAWQMBAVNBOPB-LLVKDONJSA-N -1 0 317.301 -0.482 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1)C1CC1 ZINC001610679180 1019717582 /nfs/dbraw/zinc/71/75/82/1019717582.db2.gz XSUSGOFCMAXJHS-TUAOUCFPSA-N -1 0 319.317 -0.063 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)c1cccc2ncnn21 ZINC001610681056 1019718527 /nfs/dbraw/zinc/71/85/27/1019718527.db2.gz DNWGAOGCAJKMGF-SECBINFHSA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(O)cc1 ZINC001610678275 1019719079 /nfs/dbraw/zinc/71/90/79/1019719079.db2.gz ONMMEEHYIQGUGF-LBPRGKRZSA-N -1 0 319.273 -0.403 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCNC(=O)c2ccn[nH]2)ccn1 ZINC001610693632 1019720298 /nfs/dbraw/zinc/72/02/98/1019720298.db2.gz XQZZRIDYGJMUEM-UHFFFAOYSA-N -1 0 303.278 -0.337 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC2CCSCC2)C1 ZINC001610688473 1019721044 /nfs/dbraw/zinc/72/10/44/1019721044.db2.gz YLJZTLNWQVNRNV-PSASIEDQSA-N -1 0 316.379 -0.708 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC001610696167 1019721410 /nfs/dbraw/zinc/72/14/10/1019721410.db2.gz FHFJSKUSZLEMTQ-NSHDSACASA-N -1 0 321.264 -0.453 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC001610715392 1019722379 /nfs/dbraw/zinc/72/23/79/1019722379.db2.gz FCYWDKFYPGVSTN-STQMWFEESA-N -1 0 320.345 -0.218 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)Nc2cnns2)CC1 ZINC001610712308 1019722461 /nfs/dbraw/zinc/72/24/61/1019722461.db2.gz SQWWCHQHLDIHNB-QMMMGPOBSA-N -1 0 314.323 -0.839 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)[C@H]1COCCN1CC(F)(F)F ZINC001610715153 1019722551 /nfs/dbraw/zinc/72/25/51/1019722551.db2.gz BKQVDNOFBACYRI-NKWVEPMBSA-N -1 0 302.224 -0.212 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)C(=O)Nc3cccnc3)C2)nn1 ZINC001610711891 1019722568 /nfs/dbraw/zinc/72/25/68/1019722568.db2.gz WVEWNUVCYXRGJD-UHFFFAOYSA-N -1 0 316.277 -0.607 20 0 DBADRM O=C([O-])[C@H](CF)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001610715713 1019723175 /nfs/dbraw/zinc/72/31/75/1019723175.db2.gz GCPSQTAXVLQPJT-QMMMGPOBSA-N -1 0 303.271 -0.031 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(S(=O)(=O)CC[C@@H]2CCOC2)CC1 ZINC001610724165 1019723700 /nfs/dbraw/zinc/72/37/00/1019723700.db2.gz RULZTPYCEXSHBN-CMPLNLGQSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001610717846 1019723880 /nfs/dbraw/zinc/72/38/80/1019723880.db2.gz YLXDIOPJFRWRFG-NGJCXOISSA-N -1 0 300.208 -0.018 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@H]1CCCCN1Cc1cccnc1 ZINC001610701163 1019724222 /nfs/dbraw/zinc/72/42/22/1019724222.db2.gz AMKNUKUSJCQPSA-QWHCGFSZSA-N -1 0 307.350 -0.002 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N(CCO)CCCO)cc1 ZINC001610704813 1019724271 /nfs/dbraw/zinc/72/42/71/1019724271.db2.gz CKZBYEHPLGPAKS-UHFFFAOYSA-N -1 0 310.306 -0.473 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC001610724016 1019724402 /nfs/dbraw/zinc/72/44/02/1019724402.db2.gz OIWTYQXTHFVVFN-LBPRGKRZSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(S(=O)(=O)CC[C@@H]2CCOC2)CC1 ZINC001610724166 1019724416 /nfs/dbraw/zinc/72/44/16/1019724416.db2.gz RULZTPYCEXSHBN-JQWIXIFHSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1S(=O)(=O)c1cnc2n1CCC2 ZINC001610736358 1019724768 /nfs/dbraw/zinc/72/47/68/1019724768.db2.gz ORLJJGUEQVKOBS-GZMMTYOYSA-N -1 0 315.351 -0.572 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1cc2c(cn1)OCCO2 ZINC001610731821 1019724820 /nfs/dbraw/zinc/72/48/20/1019724820.db2.gz BCYNQOAANVJGSD-SKDRFNHKSA-N -1 0 308.290 -0.097 20 0 DBADRM O=C([O-])[C@]1(F)CCN(S(=O)(=O)CCCN2CCOCC2)C1 ZINC001610728996 1019725257 /nfs/dbraw/zinc/72/52/57/1019725257.db2.gz VPFBCGMWLCKLIZ-LBPRGKRZSA-N -1 0 324.374 -0.463 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001610732014 1019725724 /nfs/dbraw/zinc/72/57/24/1019725724.db2.gz TYJNZLHNDKGCSA-PEXQALLHSA-N -1 0 322.321 -0.801 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC(F)(F)C2)C1 ZINC001610734467 1019726369 /nfs/dbraw/zinc/72/63/69/1019726369.db2.gz IWWBEVKKFQXHIY-SFYZADRCSA-N -1 0 306.265 -0.852 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)C[C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC001610755643 1019727574 /nfs/dbraw/zinc/72/75/74/1019727574.db2.gz FJYQETCFOOQGET-CABZTGNLSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])[C@H]1CCN2C(=O)N(Cc3nnnn3C3CC3)C(=O)[C@H]2C1 ZINC001610745141 1019727694 /nfs/dbraw/zinc/72/76/94/1019727694.db2.gz CUCXVNJFIFTQAO-IONNQARKSA-N -1 0 320.309 -0.365 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC001610741867 1019727772 /nfs/dbraw/zinc/72/77/72/1019727772.db2.gz IDTQAMYODQFUHZ-UHFFFAOYSA-N -1 0 323.349 -0.857 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2nnnn2CC2CC2)CCO1 ZINC001610746727 1019728629 /nfs/dbraw/zinc/72/86/29/1019728629.db2.gz JALFUPJEIKLMTD-VIFPVBQESA-N -1 0 310.314 -0.922 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCc2noc(C3CC3)n2)C1 ZINC001610738565 1019729064 /nfs/dbraw/zinc/72/90/64/1019729064.db2.gz PEYPZEFXEDPNDM-RKDXNWHRSA-N -1 0 310.310 -0.076 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cc(F)cc2n[nH]nc21 ZINC001610759726 1019730885 /nfs/dbraw/zinc/73/08/85/1019730885.db2.gz GAVXQJGIYFULMF-SECBINFHSA-N -1 0 321.268 -0.488 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C[C@H]1CCCS(=O)(=O)C1 ZINC001610761816 1019731117 /nfs/dbraw/zinc/73/11/17/1019731117.db2.gz MFQLQPCVXBQLHU-NXEZZACHSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])CC1(NC(=O)CCn2cnccc2=O)CCOCC1 ZINC001610757310 1019731156 /nfs/dbraw/zinc/73/11/56/1019731156.db2.gz WXUYYAALPYRNTL-UHFFFAOYSA-N -1 0 309.322 -0.227 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001610761958 1019732171 /nfs/dbraw/zinc/73/21/71/1019732171.db2.gz NVCGJPAIECORQO-QMMMGPOBSA-N -1 0 319.277 -0.921 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)CCn2cnccc2=O)CCCOC1 ZINC001610756590 1019732189 /nfs/dbraw/zinc/73/21/89/1019732189.db2.gz CLKUQJHKMBGZMT-CQSZACIVSA-N -1 0 309.322 -0.227 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)c2ccc3n[nH]c(=O)n3c2)CCO1 ZINC001610764217 1019733880 /nfs/dbraw/zinc/73/38/80/1019733880.db2.gz QLSSFAJHPAYFIB-VIFPVBQESA-N -1 0 306.278 -0.249 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCN(c2ccc(F)cn2)CC1 ZINC001610774431 1019734333 /nfs/dbraw/zinc/73/43/33/1019734333.db2.gz UOTXYYVSVNIQFL-UHFFFAOYSA-N -1 0 310.329 -0.066 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)c2cn(C3CCOCC3)nn2)CCO1 ZINC001610764239 1019734727 /nfs/dbraw/zinc/73/47/27/1019734727.db2.gz UNJYJXAJHWVOIZ-LLVKDONJSA-N -1 0 324.337 -0.055 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001610765192 1019735102 /nfs/dbraw/zinc/73/51/02/1019735102.db2.gz KXYCIIMESLRMOQ-SFYZADRCSA-N -1 0 315.351 -0.607 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)N2CC(CO)C2)cc1 ZINC001610784007 1019735597 /nfs/dbraw/zinc/73/55/97/1019735597.db2.gz WKFRARAMLXSCRQ-UHFFFAOYSA-N -1 0 321.333 -0.114 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)NCCn2ncnn2)c1 ZINC001610796833 1019738530 /nfs/dbraw/zinc/73/85/30/1019738530.db2.gz PAKSIAVVIGLABN-UHFFFAOYSA-N -1 0 311.323 -0.721 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)c1 ZINC001610795157 1019739520 /nfs/dbraw/zinc/73/95/20/1019739520.db2.gz YZWIAEVGHYQWKR-RYUDHWBXSA-N -1 0 322.317 -0.794 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)CCn2cnccc2=O)nn1 ZINC001610799720 1019739732 /nfs/dbraw/zinc/73/97/32/1019739732.db2.gz BPMRHVUDTZIDGW-UHFFFAOYSA-N -1 0 321.293 -0.905 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N[C@H]1CNC(=O)C1 ZINC001610797170 1019740462 /nfs/dbraw/zinc/74/04/62/1019740462.db2.gz IRUZJKYRKXOIFG-SECBINFHSA-N -1 0 305.290 -0.743 20 0 DBADRM O=C([O-])Cc1occc1C(=O)N[C@@H](CO)CN1CCOCC1 ZINC001610798713 1019740627 /nfs/dbraw/zinc/74/06/27/1019740627.db2.gz OVDIVXCUSWHSNN-SNVBAGLBSA-N -1 0 312.322 -0.670 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)N2CCNC(=O)CC2)cc1 ZINC001610791788 1019740664 /nfs/dbraw/zinc/74/06/64/1019740664.db2.gz UMSSBEVHPUVQLG-UHFFFAOYSA-N -1 0 319.317 -0.399 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)CC2)nn1 ZINC001610857648 1019742469 /nfs/dbraw/zinc/74/24/69/1019742469.db2.gz AVPIFSKBKWUDQG-IAZYJMLFSA-N -1 0 321.337 -0.032 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(CC(=O)N3CCOCC3)C2)nn1 ZINC001610858164 1019742918 /nfs/dbraw/zinc/74/29/18/1019742918.db2.gz CDORVOSNMYEJAZ-JTQLQIEISA-N -1 0 309.326 -0.918 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@@H]2CCc3n[nH]cc3C2)nn1 ZINC001610859338 1019743406 /nfs/dbraw/zinc/74/34/06/1019743406.db2.gz PLMOOUZGMUVOPS-MRVPVSSYSA-N -1 0 304.310 -0.379 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)n1 ZINC001610886051 1019747138 /nfs/dbraw/zinc/74/71/38/1019747138.db2.gz CCVBVQLUNIQWAJ-AWEZNQCLSA-N -1 0 318.289 -0.406 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NC[C@@]1(O)CCSC1 ZINC001610872757 1019747303 /nfs/dbraw/zinc/74/73/03/1019747303.db2.gz JPJHRQCNNAVUBR-VIFPVBQESA-N -1 0 324.405 -0.012 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2ccn(CC(F)F)n2)nn1 ZINC001610860257 1019748305 /nfs/dbraw/zinc/74/83/05/1019748305.db2.gz QJZKORZKZQCBET-UHFFFAOYSA-N -1 0 314.252 -0.132 20 0 DBADRM O=C([O-])c1cccc(COC(=O)CC[C@@H]2NC(=O)NC2=O)n1 ZINC001610887789 1019749099 /nfs/dbraw/zinc/74/90/99/1019749099.db2.gz ZHEQOQGADOFVKT-QMMMGPOBSA-N -1 0 307.262 -0.189 20 0 DBADRM O=Cc1ccccc1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001610887271 1019749252 /nfs/dbraw/zinc/74/92/52/1019749252.db2.gz AZAGRWPNIGQLMD-MNOVXSKESA-N -1 0 313.331 -0.045 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])c1C ZINC001610887827 1019749335 /nfs/dbraw/zinc/74/93/35/1019749335.db2.gz RAGZSTORUHAGAO-LLVKDONJSA-N -1 0 305.356 -0.366 20 0 DBADRM CCn1nc(C)c(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])n1 ZINC001610887720 1019751333 /nfs/dbraw/zinc/75/13/33/1019751333.db2.gz NQOPAEWPDIGWJF-SECBINFHSA-N -1 0 311.342 -0.342 20 0 DBADRM CNC(=O)C1CCC(NC(=O)C(=O)N(C)CCC(=O)[O-])CC1 ZINC001610956261 1019751821 /nfs/dbraw/zinc/75/18/21/1019751821.db2.gz KXSATCBBCVFZOO-UHFFFAOYSA-N -1 0 313.354 -0.660 20 0 DBADRM COC(=O)c1cc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c[nH]1 ZINC001610976842 1019752529 /nfs/dbraw/zinc/75/25/29/1019752529.db2.gz TVJMSIXRMUCGPP-SNVBAGLBSA-N -1 0 316.335 -0.515 20 0 DBADRM CN1C(=O)COc2cc(NC(=O)NC[C@](C)(O)C(=O)[O-])ccc21 ZINC001610944778 1019753696 /nfs/dbraw/zinc/75/36/96/1019753696.db2.gz JNVODYJACNNKPE-AWEZNQCLSA-N -1 0 323.305 -0.001 20 0 DBADRM COC(=O)c1ccccc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001610981435 1019753861 /nfs/dbraw/zinc/75/38/61/1019753861.db2.gz IVIVDFLBQHVEMF-CQSZACIVSA-N -1 0 324.289 -0.637 20 0 DBADRM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCS(=O)(=O)CC(=O)[O-] ZINC001610965229 1019754230 /nfs/dbraw/zinc/75/42/30/1019754230.db2.gz STYHQBFCFTUBDX-FOGDFJRCSA-N -1 0 319.379 -0.241 20 0 DBADRM CS(=O)(=O)Cc1noc(NC(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC001611078318 1019754611 /nfs/dbraw/zinc/75/46/11/1019754611.db2.gz BYLVSIZZCZPZCA-LURJTMIESA-N -1 0 318.311 -0.447 20 0 DBADRM COCCn1cc(NC(=O)NC[C@](C)(O)C(=O)[O-])ccc1=O ZINC001611015650 1019755033 /nfs/dbraw/zinc/75/50/33/1019755033.db2.gz CNHFCDMNQKQTCB-ZDUSSCGKSA-N -1 0 313.310 -0.548 20 0 DBADRM COc1cc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])nn1C ZINC001611024120 1019755551 /nfs/dbraw/zinc/75/55/51/1019755551.db2.gz WYRJORIPWPKJMH-QMMMGPOBSA-N -1 0 312.326 -0.520 20 0 DBADRM CO[C@@H](C)c1noc(C[S@](=O)CC(=O)NCC(=O)[O-])n1 ZINC001610990540 1019755844 /nfs/dbraw/zinc/75/58/44/1019755844.db2.gz AAOJYODKDVWKEY-SXPOAWKSSA-N -1 0 305.312 -0.774 20 0 DBADRM COc1cccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001611060839 1019755942 /nfs/dbraw/zinc/75/59/42/1019755942.db2.gz QULDBAOOQLWQCB-SECBINFHSA-N -1 0 314.319 -0.586 20 0 DBADRM COCCCn1ccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])n1 ZINC001611000509 1019756066 /nfs/dbraw/zinc/75/60/66/1019756066.db2.gz TULZQGKDPXUBQE-GFCCVEGCSA-N -1 0 300.315 -0.123 20 0 DBADRM C[C@H](O)CNC(=O)c1ccc(OCC(=O)NCC(=O)[O-])cc1 ZINC001611113262 1019756883 /nfs/dbraw/zinc/75/68/83/1019756883.db2.gz GCXIPHCQGPGXJJ-VIFPVBQESA-N -1 0 310.306 -0.623 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc(C(N)=O)c1 ZINC001611146364 1019758113 /nfs/dbraw/zinc/75/81/13/1019758113.db2.gz DORFBRQBGBFREZ-VIFPVBQESA-N -1 0 319.317 -0.034 20 0 DBADRM Cc1cc(C)c(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c(C)n1 ZINC001611136908 1019759096 /nfs/dbraw/zinc/75/90/96/1019759096.db2.gz LYPHUVYEYMTZHQ-AWEZNQCLSA-N -1 0 309.322 -0.103 20 0 DBADRM O=C([O-])c1ccc(NC(=O)NC(CO)(CO)CO)c(F)c1 ZINC001611344562 1019760534 /nfs/dbraw/zinc/76/05/34/1019760534.db2.gz SFWNWTISEWTMHC-UHFFFAOYSA-N -1 0 302.258 -0.639 20 0 DBADRM Cn1c(N)c(C(=O)CSCCC(=O)[O-])c(=O)n(C)c1=O ZINC001611272104 1019762168 /nfs/dbraw/zinc/76/21/68/1019762168.db2.gz XTRBMNKQHOAXTH-UHFFFAOYSA-N -1 0 301.324 -0.943 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)C1 ZINC001611369636 1019762884 /nfs/dbraw/zinc/76/28/84/1019762884.db2.gz BDZYJUHLMMMMRZ-SFYZADRCSA-N -1 0 306.265 -0.852 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CCO)CCO1 ZINC001611387117 1019762920 /nfs/dbraw/zinc/76/29/20/1019762920.db2.gz NXFJTLUZHADXQX-WDEREUQCSA-N -1 0 314.338 -0.938 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001611401717 1019763103 /nfs/dbraw/zinc/76/31/03/1019763103.db2.gz OKRPZOHGYUOGDY-JTQLQIEISA-N -1 0 313.335 -0.389 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001611401724 1019764296 /nfs/dbraw/zinc/76/42/96/1019764296.db2.gz OKRPZOHGYUOGDY-SNVBAGLBSA-N -1 0 313.335 -0.389 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCN(c3cccnn3)CC2)C1 ZINC001611361626 1019764627 /nfs/dbraw/zinc/76/46/27/1019764627.db2.gz FKPAOXZJMQWNOB-SNVBAGLBSA-N -1 0 305.294 -0.645 20 0 DBADRM O=C([O-])c1cccc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)c1 ZINC001611545050 1019765888 /nfs/dbraw/zinc/76/58/88/1019765888.db2.gz IZHMBEREMLCERZ-CYBMUJFWSA-N -1 0 313.331 -0.336 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC001611443216 1019765984 /nfs/dbraw/zinc/76/59/84/1019765984.db2.gz HOELEGYNFAQFHH-JTQLQIEISA-N -1 0 321.337 -0.848 20 0 DBADRM O=C([O-])CNC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC001611480136 1019766180 /nfs/dbraw/zinc/76/61/80/1019766180.db2.gz HTGOENVDIRWURL-SSDOTTSWSA-N -1 0 302.312 -0.551 20 0 DBADRM O=C([O-])CNC(=O)CN1CCS(=O)(=O)C[C@H]1C1CCC1 ZINC001611471119 1019766506 /nfs/dbraw/zinc/76/65/06/1019766506.db2.gz USQGYOKZJSCJQX-JTQLQIEISA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])CS(=O)(=O)CCS(=O)(=O)c1cccc(O)c1 ZINC001611488763 1019766933 /nfs/dbraw/zinc/76/69/33/1019766933.db2.gz YUIOWAZMEKSXRX-UHFFFAOYSA-N -1 0 308.333 -0.335 20 0 DBADRM O=C([O-])CS(=O)(=O)CCn1c(=O)onc1-c1ccccn1 ZINC001611488355 1019767879 /nfs/dbraw/zinc/76/78/79/1019767879.db2.gz DZOBSGJXRKRQIW-UHFFFAOYSA-N -1 0 313.291 -0.602 20 0 DBADRM O=C(NCCCNC(=O)C1CC2(CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001576015694 1019790072 /nfs/dbraw/zinc/79/00/72/1019790072.db2.gz UFMOAQVKGQWVOI-UHFFFAOYSA-N -1 0 321.337 -0.291 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(Cn2ccnn2)o1 ZINC001618294608 1019791802 /nfs/dbraw/zinc/79/18/02/1019791802.db2.gz DWDSILUUBYLCBP-UHFFFAOYSA-N -1 0 304.266 -0.432 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001618148235 1019793953 /nfs/dbraw/zinc/79/39/53/1019793953.db2.gz JRHKRLOKOMNWOR-VIFPVBQESA-N -1 0 309.297 -0.028 20 0 DBADRM C[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C(=O)O1 ZINC001576031575 1019799092 /nfs/dbraw/zinc/79/90/92/1019799092.db2.gz WDMYNNAVENKGOS-WDSKDSINSA-N -1 0 313.295 -0.558 20 0 DBADRM C[C@@H]1CC[C@@H]1NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576143560 1019815776 /nfs/dbraw/zinc/81/57/76/1019815776.db2.gz VRYZNLAXTZHNMD-SVRRBLITSA-N -1 0 305.298 -0.956 20 0 DBADRM C[C@@H]1CN(C(=O)NCc2ccc(-c3nn[nH]n3)cn2)CC(=O)N1 ZINC001576276247 1019832270 /nfs/dbraw/zinc/83/22/70/1019832270.db2.gz AMPQJWHODGHCOG-MRVPVSSYSA-N -1 0 316.325 -0.708 20 0 DBADRM CCC(=O)N1CCO[C@@H](CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001576420972 1019848149 /nfs/dbraw/zinc/84/81/49/1019848149.db2.gz KQLYNDYKTBLOKP-VIFPVBQESA-N -1 0 318.341 -0.294 20 0 DBADRM CCC(=O)N[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001576445109 1019850985 /nfs/dbraw/zinc/85/09/85/1019850985.db2.gz OYSFGNAVXKEVRG-RKDXNWHRSA-N -1 0 318.341 -0.878 20 0 DBADRM CCC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576471985 1019854412 /nfs/dbraw/zinc/85/44/12/1019854412.db2.gz SPFJPSIMHSMWPG-ZDUSSCGKSA-N -1 0 318.341 -0.876 20 0 DBADRM CCC(C)(C)NC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576545775 1019863235 /nfs/dbraw/zinc/86/32/35/1019863235.db2.gz NCFMWZCCMIGFAD-UHFFFAOYSA-N -1 0 321.341 -0.176 20 0 DBADRM CN(CCCNC(=O)C(C)(F)F)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001576658238 1019875763 /nfs/dbraw/zinc/87/57/63/1019875763.db2.gz SLNSHKVUPZJXLY-UHFFFAOYSA-N -1 0 321.284 -0.691 20 0 DBADRM C[C@@H](NC(=O)CCc1c[nH]cn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001506627350 1019877868 /nfs/dbraw/zinc/87/78/68/1019877868.db2.gz QHWMZTIJOOCIAO-SECBINFHSA-N -1 0 319.369 -0.197 20 0 DBADRM CCn1ncn([N-]C(=O)c2cncc(-c3c[nH]nn3)c2)c1=O ZINC001576706969 1019878533 /nfs/dbraw/zinc/87/85/33/1019878533.db2.gz BXVFJOAQBSWORW-UHFFFAOYSA-N -1 0 300.282 -0.371 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001506732984 1019894092 /nfs/dbraw/zinc/89/40/92/1019894092.db2.gz WJZDYLFNVPLQEY-JTQLQIEISA-N -1 0 324.385 -0.685 20 0 DBADRM C[C@H]1Cn2nc(C(=O)N3CCC[C@@H](c4nnn[n-]4)C3)cc2CN1 ZINC001576871545 1019912874 /nfs/dbraw/zinc/91/28/74/1019912874.db2.gz FPWZVONFMKYALJ-VHSXEESVSA-N -1 0 316.369 -0.092 20 0 DBADRM CC[C@H](F)C(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001576957990 1019963291 /nfs/dbraw/zinc/96/32/91/1019963291.db2.gz WOSMFGSCBDVKAZ-QMMMGPOBSA-N -1 0 320.332 -0.113 20 0 DBADRM CC[C@@H](NC(=O)NCCn1cnc(-c2nnn[n-]2)n1)C(C)(C)O ZINC001576975807 1019972594 /nfs/dbraw/zinc/97/25/94/1019972594.db2.gz PKGYUUQZJNRKQG-MRVPVSSYSA-N -1 0 323.361 -0.693 20 0 DBADRM CCC1(NC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CCC1 ZINC001577113841 1020009097 /nfs/dbraw/zinc/00/90/97/1020009097.db2.gz HMCIHIBCSANMEK-UHFFFAOYSA-N -1 0 319.325 -0.422 20 0 DBADRM CN(CCOCCNC(=O)c1cnco1)Cc1n[nH]c(=O)[n-]1 ZINC001506974234 1020023297 /nfs/dbraw/zinc/02/32/97/1020023297.db2.gz PLAIXZIVETYDPB-UHFFFAOYSA-N -1 0 310.314 -0.623 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C(C)(C)F ZINC001577222233 1020035928 /nfs/dbraw/zinc/03/59/28/1020035928.db2.gz XZTCKIQSXIYJBZ-UHFFFAOYSA-N -1 0 315.305 -0.391 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NCc2nnnn2C)c1[O-] ZINC001507066437 1020067766 /nfs/dbraw/zinc/06/77/66/1020067766.db2.gz QMQGLRNCPCRCML-SSDOTTSWSA-N -1 0 308.346 -0.802 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCN(Cc3cn[nH]n3)CC2)c1[O-] ZINC001577518813 1020072887 /nfs/dbraw/zinc/07/28/87/1020072887.db2.gz PKEPBRKOHVJBRQ-UHFFFAOYSA-N -1 0 305.342 -0.064 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2csnn2)c1[O-] ZINC001507187984 1020150236 /nfs/dbraw/zinc/15/02/36/1020150236.db2.gz ISKGXHCLJSYDAE-ZETCQYMHSA-N -1 0 312.355 -0.844 20 0 DBADRM Cc1c(F)cccc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001507197667 1020171943 /nfs/dbraw/zinc/17/19/43/1020171943.db2.gz DRNAZPWTGLVGPK-SECBINFHSA-N -1 0 323.328 -0.162 20 0 DBADRM CCN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)[C@@H]1C[C@@H]1C ZINC001578131196 1020193177 /nfs/dbraw/zinc/19/31/77/1020193177.db2.gz BXJRWYNXCIAHPG-VHSXEESVSA-N -1 0 316.369 -0.005 20 0 DBADRM CCN1CC2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)CCO2 ZINC001578216125 1020204793 /nfs/dbraw/zinc/20/47/93/1020204793.db2.gz YMPFLDPOGPIFSY-UHFFFAOYSA-N -1 0 317.353 -0.259 20 0 DBADRM CCO[C@H](C(=O)Nc1c[nH]nc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC001578274890 1020207709 /nfs/dbraw/zinc/20/77/09/1020207709.db2.gz WIEGTMGHWIMTEZ-XCBNKYQSSA-N -1 0 307.314 -0.030 20 0 DBADRM CCO[C@H](C)C(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001578296067 1020210938 /nfs/dbraw/zinc/21/09/38/1020210938.db2.gz HWQYBDLTDGHYAJ-DTWKUNHWSA-N -1 0 320.357 -0.580 20 0 DBADRM CCOCC(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001578354378 1020219904 /nfs/dbraw/zinc/21/99/04/1020219904.db2.gz BNZJJJALNDSXPR-IUCAKERBSA-N -1 0 320.357 -0.580 20 0 DBADRM CCOCC(=O)N[C@@H](C)CN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001578354548 1020220187 /nfs/dbraw/zinc/22/01/87/1020220187.db2.gz GGUGPMLJXPFIBO-VIFPVBQESA-N -1 0 320.357 -0.366 20 0 DBADRM CCOCC(=O)NCCN(CC)c1cncc(-c2nn[nH]n2)n1 ZINC001578362766 1020221402 /nfs/dbraw/zinc/22/14/02/1020221402.db2.gz VLZBLVFVHUUXCK-UHFFFAOYSA-N -1 0 320.357 -0.364 20 0 DBADRM CCOCC(=O)NCCN(CC)c1nccnc1-c1nn[nH]n1 ZINC001578362457 1020221522 /nfs/dbraw/zinc/22/15/22/1020221522.db2.gz LATCZUNDWDYLKJ-UHFFFAOYSA-N -1 0 320.357 -0.364 20 0 DBADRM CCOCC(=O)NCC[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001578362384 1020222093 /nfs/dbraw/zinc/22/20/93/1020222093.db2.gz JEDJLLTZYXLVMZ-VIFPVBQESA-N -1 0 320.357 0.000 20 0 DBADRM CCOCC(=O)NCC[C@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001578362824 1020223361 /nfs/dbraw/zinc/22/33/61/1020223361.db2.gz XLSQJRGWTPJYIE-VIFPVBQESA-N -1 0 320.357 0.000 20 0 DBADRM CCOCCC(=O)N[C@@H](C)CNc1cncc(-c2nn[nH]n2)n1 ZINC001578375508 1020224864 /nfs/dbraw/zinc/22/48/64/1020224864.db2.gz IELXSHUDCOZPRP-VIFPVBQESA-N -1 0 320.357 0.000 20 0 DBADRM CC[S@@](=O)CCNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001578417118 1020233774 /nfs/dbraw/zinc/23/37/74/1020233774.db2.gz FKFYCDHUGHHBLU-JOCHJYFZSA-N -1 0 324.366 -0.226 20 0 DBADRM CCc1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)no1 ZINC001578510569 1020249032 /nfs/dbraw/zinc/24/90/32/1020249032.db2.gz SUSJNRWSLQDRIG-UHFFFAOYSA-N -1 0 303.286 -0.561 20 0 DBADRM CCc1nnc(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)[nH]1 ZINC001578620827 1020274987 /nfs/dbraw/zinc/27/49/87/1020274987.db2.gz WIMDWUBXBBNSPJ-LURJTMIESA-N -1 0 317.317 -0.984 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC(C)(C)C(=O)OC)c1=O ZINC001578736337 1020286654 /nfs/dbraw/zinc/28/66/54/1020286654.db2.gz WLQSDRYFHSJTEX-UHFFFAOYSA-N -1 0 322.325 -0.591 20 0 DBADRM CCn1cc(CC(=O)Nc2nn(C)c(C)c2-c2nn[nH]n2)nn1 ZINC001578755556 1020290067 /nfs/dbraw/zinc/29/00/67/1020290067.db2.gz TWRWXEQCMNSGOF-UHFFFAOYSA-N -1 0 316.329 -0.299 20 0 DBADRM CN(C(=O)CN1CSCC1=O)c1cc(-c2nn[nH]n2)ccn1 ZINC001578878186 1020321410 /nfs/dbraw/zinc/32/14/10/1020321410.db2.gz KZTVYTRXLJORQD-UHFFFAOYSA-N -1 0 319.350 -0.243 20 0 DBADRM CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H](CO)CC(C)(C)C ZINC001578886832 1020322873 /nfs/dbraw/zinc/32/28/73/1020322873.db2.gz JIFXOCLSRPAARE-VIFPVBQESA-N -1 0 322.373 -0.286 20 0 DBADRM CN(CCNC(=O)c1cc[nH]c1)c1cnc(-c2nn[nH]n2)cn1 ZINC001579196247 1020389367 /nfs/dbraw/zinc/38/93/67/1020389367.db2.gz QRJIDMDYDZKSRJ-UHFFFAOYSA-N -1 0 313.325 -0.149 20 0 DBADRM CN(CCNC(=O)c1cn[nH]c1)c1ccc(-c2nn[nH]n2)nc1 ZINC001579201217 1020390096 /nfs/dbraw/zinc/39/00/96/1020390096.db2.gz JSTTZJANWRCRTP-UHFFFAOYSA-N -1 0 313.325 -0.149 20 0 DBADRM CN(CCNC(=O)c1ccc[nH]1)c1cnc(-c2nn[nH]n2)cn1 ZINC001579197781 1020391329 /nfs/dbraw/zinc/39/13/29/1020391329.db2.gz FFUAHSFEKYUQQN-UHFFFAOYSA-N -1 0 313.325 -0.149 20 0 DBADRM CN(CCNC(=O)c1ccn[nH]1)c1cncc(-c2nn[nH]n2)n1 ZINC001579196010 1020392333 /nfs/dbraw/zinc/39/23/33/1020392333.db2.gz FVRXMCWLBQLHSM-UHFFFAOYSA-N -1 0 314.313 -0.754 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)c1ccco1 ZINC001579215433 1020396771 /nfs/dbraw/zinc/39/67/71/1020396771.db2.gz PGLWOPATZJYDOR-UHFFFAOYSA-N -1 0 314.309 -0.144 20 0 DBADRM CN(Cc1cccnc1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001579263402 1020401884 /nfs/dbraw/zinc/40/18/84/1020401884.db2.gz VYCABWAYJCNMNU-UHFFFAOYSA-N -1 0 314.309 -0.715 20 0 DBADRM CN1C(=O)Cc2cc(C(=O)Cn3cc(-c4nnn[n-]4)nn3)ccc21 ZINC001579308190 1020404846 /nfs/dbraw/zinc/40/48/46/1020404846.db2.gz GBQUPQFWOXDFIO-UHFFFAOYSA-N -1 0 324.304 -0.140 20 0 DBADRM CNC(=O)C[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001579389202 1020440814 /nfs/dbraw/zinc/44/08/14/1020440814.db2.gz VJVCZWRSZINYFW-LURJTMIESA-N -1 0 314.327 -0.737 20 0 DBADRM CNC(=O)c1ccc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)cn1 ZINC001579422039 1020452135 /nfs/dbraw/zinc/45/21/35/1020452135.db2.gz PNAFLSBODDGICX-UHFFFAOYSA-N -1 0 313.281 -0.403 20 0 DBADRM COC(=O)[C@](C)(CO)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001579432475 1020454755 /nfs/dbraw/zinc/45/47/55/1020454755.db2.gz VQLXNNNQYLNDDF-ZDUSSCGKSA-N -1 0 321.293 -0.774 20 0 DBADRM COC(=O)[C@@](C)(CO)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001579432474 1020456074 /nfs/dbraw/zinc/45/60/74/1020456074.db2.gz VQLXNNNQYLNDDF-CYBMUJFWSA-N -1 0 321.293 -0.774 20 0 DBADRM COC(=O)[C@H]1CCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001579443854 1020460397 /nfs/dbraw/zinc/46/03/97/1020460397.db2.gz VLGGOHVGJZVZDV-SSDOTTSWSA-N -1 0 324.322 -0.802 20 0 DBADRM COC(=O)c1ccc(Cn2cnc(-c3nnn[n-]3)cc2=O)o1 ZINC001579482333 1020471552 /nfs/dbraw/zinc/47/15/52/1020471552.db2.gz DDQNWYIEQNSSLP-UHFFFAOYSA-N -1 0 302.250 -0.149 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2cnns2)c1 ZINC001579477162 1020472128 /nfs/dbraw/zinc/47/21/28/1020472128.db2.gz BVCOGZKEOXSYEI-UHFFFAOYSA-N -1 0 319.306 -0.285 20 0 DBADRM COC(=O)c1cc(Cn2ccc(-c3nnn[n-]3)cc2=O)on1 ZINC001579479811 1020474173 /nfs/dbraw/zinc/47/41/73/1020474173.db2.gz USCAJQKKILFCIR-UHFFFAOYSA-N -1 0 302.250 -0.149 20 0 DBADRM CO[C@H](C)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001579532986 1020480236 /nfs/dbraw/zinc/48/02/36/1020480236.db2.gz DFXRKGHQOHWKBA-RKDXNWHRSA-N -1 0 320.357 -0.050 20 0 DBADRM CO[C@H](C)C(=O)N(C)CCN(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001579533297 1020481571 /nfs/dbraw/zinc/48/15/71/1020481571.db2.gz QVYANKMEKFNGKX-SECBINFHSA-N -1 0 320.357 -0.414 20 0 DBADRM CO[C@H](C)C(=O)N(C)CCN(C)c1cncc(-c2nn[nH]n2)n1 ZINC001579532179 1020482530 /nfs/dbraw/zinc/48/25/30/1020482530.db2.gz HGPCZEZECLPSMH-SECBINFHSA-N -1 0 320.357 -0.414 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H](C)CN(C)c1cncc(-c2nn[nH]n2)n1 ZINC001579539341 1020486636 /nfs/dbraw/zinc/48/66/36/1020486636.db2.gz IDJNFRXQEBCGEB-BDAKNGLRSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[nH]n2)nn1 ZINC001579539031 1020488800 /nfs/dbraw/zinc/48/88/00/1020488800.db2.gz FIZPOVXCQYEARX-BDAKNGLRSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@@H](C)C(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001579545233 1020490648 /nfs/dbraw/zinc/49/06/48/1020490648.db2.gz BLPWYTQRUIKZPF-QMMMGPOBSA-N -1 0 318.341 -0.826 20 0 DBADRM CO[C@@H](C)CC(=O)N[C@@H](C)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001579566101 1020495755 /nfs/dbraw/zinc/49/57/55/1020495755.db2.gz DMUPNMPUYYHGQG-IUCAKERBSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@H](C)CC(=O)N[C@@H](C)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001579566100 1020497828 /nfs/dbraw/zinc/49/78/28/1020497828.db2.gz DMUPNMPUYYHGQG-DTWKUNHWSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@H](C)CC(=O)NCCNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001579566662 1020498502 /nfs/dbraw/zinc/49/85/02/1020498502.db2.gz WAQZWJNAWNKOCO-SECBINFHSA-N -1 0 320.357 -0.082 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001579561453 1020499037 /nfs/dbraw/zinc/49/90/37/1020499037.db2.gz ICWKRLRUFCAIOQ-RKDXNWHRSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579552843 1020499108 /nfs/dbraw/zinc/49/91/08/1020499108.db2.gz UBLQQTVAPLXDBS-CIUDSAMLSA-N -1 0 318.341 -0.827 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001579617816 1020505941 /nfs/dbraw/zinc/50/59/41/1020505941.db2.gz HSCLKNSOZZGBSH-LPEHRKFASA-N -1 0 320.357 -0.097 20 0 DBADRM COCC(=O)N(C)CCCN(C)c1nccnc1-c1nn[nH]n1 ZINC001579622828 1020505997 /nfs/dbraw/zinc/50/59/97/1020505997.db2.gz ALMHAXZFNKCQGC-UHFFFAOYSA-N -1 0 320.357 -0.412 20 0 DBADRM COCC(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579623748 1020508330 /nfs/dbraw/zinc/50/83/30/1020508330.db2.gz KBVSVQAIFNNBIK-UHFFFAOYSA-N -1 0 319.325 -0.876 20 0 DBADRM COCC(=O)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)[C@H]1C ZINC001579629229 1020509537 /nfs/dbraw/zinc/50/95/37/1020509537.db2.gz ZEUVJZQRSVYKLE-RKDXNWHRSA-N -1 0 318.341 -0.874 20 0 DBADRM COCC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001579627442 1020514019 /nfs/dbraw/zinc/51/40/19/1020514019.db2.gz KIPKJTYUEONOBQ-SECBINFHSA-N -1 0 318.341 -0.872 20 0 DBADRM COCC(=O)NC1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001579635806 1020524443 /nfs/dbraw/zinc/52/44/43/1020524443.db2.gz KWWVVTNZPKPUNE-UHFFFAOYSA-N -1 0 318.341 -0.612 20 0 DBADRM COCC(=O)NCC1CC(Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579638573 1020527742 /nfs/dbraw/zinc/52/77/42/1020527742.db2.gz ICNBSZKZPKGMAL-UHFFFAOYSA-N -1 0 318.341 -0.968 20 0 DBADRM COC[C@H](NC(=O)c1csc(-c2nn[nH]n2)c1)c1nnn[n-]1 ZINC001579699510 1020537610 /nfs/dbraw/zinc/53/76/10/1020537610.db2.gz KKYUIPYZKKUDTC-LURJTMIESA-N -1 0 321.326 -0.441 20 0 DBADRM COCCC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001579750004 1020543587 /nfs/dbraw/zinc/54/35/87/1020543587.db2.gz OWSCXWAUWLEXDG-VIFPVBQESA-N -1 0 320.357 -0.626 20 0 DBADRM COCC1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCC1 ZINC001579746446 1020546027 /nfs/dbraw/zinc/54/60/27/1020546027.db2.gz YHKDXRLUIJKDJV-UHFFFAOYSA-N -1 0 320.357 -0.219 20 0 DBADRM COCC[C@@H](C)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001579775398 1020551723 /nfs/dbraw/zinc/55/17/23/1020551723.db2.gz CBLGDCCAQRLMTC-SECBINFHSA-N -1 0 323.361 -0.570 20 0 DBADRM COCC[C@H](C)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001579775401 1020555315 /nfs/dbraw/zinc/55/53/15/1020555315.db2.gz CBLGDCCAQRLMTC-VIFPVBQESA-N -1 0 323.361 -0.570 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)/C=C\C1CC1 ZINC001579831479 1020571773 /nfs/dbraw/zinc/57/17/73/1020571773.db2.gz UHRVEDWLAMTRDB-MJSGSUOKSA-N -1 0 307.310 -0.517 20 0 DBADRM CC[C@H](C)C(=O)NC1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001508339320 1020572275 /nfs/dbraw/zinc/57/22/75/1020572275.db2.gz AZJRALFTVJVICC-UEJVZZJDSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H](C)NC(=O)C1CC1 ZINC001508436394 1020590829 /nfs/dbraw/zinc/59/08/29/1020590829.db2.gz BYKLNKSDMJKYKF-JGVFFNPUSA-N -1 0 308.338 -0.481 20 0 DBADRM CCC(=O)N[C@@H](C)[C@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001508438621 1020591447 /nfs/dbraw/zinc/59/14/47/1020591447.db2.gz HNZYNJOQRNQZBG-YUMQZZPRSA-N -1 0 311.342 -0.365 20 0 DBADRM COc1cccnc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001580094190 1020647306 /nfs/dbraw/zinc/64/73/06/1020647306.db2.gz AYCXPWNMFAJTAO-UHFFFAOYSA-N -1 0 315.297 -0.708 20 0 DBADRM C[C@@H](CNC(=O)C1CC1)N(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001508709663 1020651478 /nfs/dbraw/zinc/65/14/78/1020651478.db2.gz OEOAZMMXUSMIGR-QMMMGPOBSA-N -1 0 323.353 -0.412 20 0 DBADRM CS[C@H](C)C(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001580189367 1020665875 /nfs/dbraw/zinc/66/58/75/1020665875.db2.gz JLLAHACRLYBHCP-MRVPVSSYSA-N -1 0 322.398 -0.039 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)N2CC=C(N)N2)cc1-c1nnn[n-]1 ZINC001580230797 1020670311 /nfs/dbraw/zinc/67/03/11/1020670311.db2.gz HEXFMGUEBRNBPG-UHFFFAOYSA-N -1 0 320.338 -0.550 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)c2n[nH]nc2C)c1[O-] ZINC001508818192 1020677541 /nfs/dbraw/zinc/67/75/41/1020677541.db2.gz YWHQMTXPADGCBE-ZCFIWIBFSA-N -1 0 321.341 -0.259 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCOC1 ZINC001580414062 1020707440 /nfs/dbraw/zinc/70/74/40/1020707440.db2.gz KXTBTOHUPDCHRR-BDAKNGLRSA-N -1 0 318.341 -0.968 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C(F)F ZINC001508980469 1020713275 /nfs/dbraw/zinc/71/32/75/1020713275.db2.gz MHTXWYIGFOLRSG-SCSAIBSYSA-N -1 0 305.241 -0.875 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C1(C)CC1 ZINC001508982101 1020714156 /nfs/dbraw/zinc/71/41/56/1020714156.db2.gz VUPLGZCAGJNEAF-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@]12CN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]1CS(=O)(=O)C2 ZINC001580460692 1020723241 /nfs/dbraw/zinc/72/32/41/1020723241.db2.gz ICJXIHVFSKELPN-QPUJVOFHSA-N -1 0 321.366 -0.472 20 0 DBADRM O=C([C@H]1NCCc2occc21)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001580489640 1020730906 /nfs/dbraw/zinc/73/09/06/1020730906.db2.gz RQDPKHMRXCVTLS-NSHDSACASA-N -1 0 318.337 -0.510 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC001580599633 1020760351 /nfs/dbraw/zinc/76/03/51/1020760351.db2.gz CUNQVZDFBCTVIN-DTORHVGOSA-N -1 0 316.321 -0.006 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CCS(=O)CC1 ZINC001580600508 1020761661 /nfs/dbraw/zinc/76/16/61/1020761661.db2.gz OFQYUGAFBVCCIZ-UHFFFAOYSA-N -1 0 322.350 -0.520 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@H](C)C(=O)N(C)C ZINC001580599807 1020761988 /nfs/dbraw/zinc/76/19/88/1020761988.db2.gz GNNZKGYLYHEZRG-SSDOTTSWSA-N -1 0 319.325 -0.518 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@@H](C)c1nc[nH]n1 ZINC001580601110 1020762444 /nfs/dbraw/zinc/76/24/44/1020762444.db2.gz JBLJLSAMPDWYPQ-LURJTMIESA-N -1 0 315.297 -0.115 20 0 DBADRM Cc1cc(F)c(-c2nn[nH]n2)cc1NC(=O)Cn1ncnn1 ZINC001580932187 1020814328 /nfs/dbraw/zinc/81/43/28/1020814328.db2.gz RQVNFXMQZRWRLR-UHFFFAOYSA-N -1 0 303.261 -0.061 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)/C=C\C1CC1 ZINC001580934557 1020814402 /nfs/dbraw/zinc/81/44/02/1020814402.db2.gz MUAZYQULRJEHHG-PLNGDYQASA-N -1 0 309.326 -0.770 20 0 DBADRM Cc1cc(NC(=O)Cn2ccc(-c3nnn[n-]3)cc2=O)n(C)n1 ZINC001580980614 1020818257 /nfs/dbraw/zinc/81/82/57/1020818257.db2.gz ILHTXKVQFFFOME-UHFFFAOYSA-N -1 0 314.309 -0.291 20 0 DBADRM Cc1cc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cc(-c2nn[nH]n2)c1 ZINC001580980891 1020818295 /nfs/dbraw/zinc/81/82/95/1020818295.db2.gz WMPDONHDDUWXIE-UHFFFAOYSA-N -1 0 316.281 -0.183 20 0 DBADRM Cc1cc(NC(=O)Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)no1 ZINC001580980865 1020818495 /nfs/dbraw/zinc/81/84/95/1020818495.db2.gz UVHCVEVQQNNVOX-UHFFFAOYSA-N -1 0 318.253 -0.936 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C=C1CCC1 ZINC001581138536 1020824923 /nfs/dbraw/zinc/82/49/23/1020824923.db2.gz AMFFTINOSLQBGG-UHFFFAOYSA-N -1 0 321.337 -0.029 20 0 DBADRM Cc1ccc(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)nc1 ZINC001581193801 1020827463 /nfs/dbraw/zinc/82/74/63/1020827463.db2.gz WVWCLNCERIDOPZ-UHFFFAOYSA-N -1 0 313.325 -0.479 20 0 DBADRM Cc1cccc(S(=O)(=O)[N-]c2nnn(C)n2)c1-c1nn[nH]n1 ZINC001581247977 1020829725 /nfs/dbraw/zinc/82/97/25/1020829725.db2.gz MJOKJSKUJLHZPQ-UHFFFAOYSA-N -1 0 321.326 -0.501 20 0 DBADRM Cc1nc(-c2nn[nH]n2)cc(N2CCOC[C@H]2CC(N)=O)n1 ZINC001581411118 1020833243 /nfs/dbraw/zinc/83/32/43/1020833243.db2.gz LFFUTXIYTXRQOQ-MRVPVSSYSA-N -1 0 304.314 -0.954 20 0 DBADRM Cc1nc(NC[C@@H](O)CNC(=O)C2CC2)ccc1-c1nn[nH]n1 ZINC001581512706 1020837206 /nfs/dbraw/zinc/83/72/06/1020837206.db2.gz QDZDZCKUKMYBCV-SNVBAGLBSA-N -1 0 317.353 -0.131 20 0 DBADRM Cc1nc(NCc2nnnn2CC2CC2)cc(-c2nn[nH]n2)n1 ZINC001581526108 1020838345 /nfs/dbraw/zinc/83/83/45/1020838345.db2.gz ICEWYWMQEUCSIA-UHFFFAOYSA-N -1 0 313.329 -0.026 20 0 DBADRM Cc1nc(NCc2nc(C(N)=O)co2)cc(-c2nn[nH]n2)n1 ZINC001581526202 1020838533 /nfs/dbraw/zinc/83/85/33/1020838533.db2.gz MRTSRCPANCVRDY-UHFFFAOYSA-N -1 0 301.270 -0.336 20 0 DBADRM Cc1nnc([C@@H](C)Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[nH]1 ZINC001581606867 1020840611 /nfs/dbraw/zinc/84/06/11/1020840611.db2.gz VVWAFHOSTPXBEH-SCSAIBSYSA-N -1 0 318.301 -0.734 20 0 DBADRM Cc1nocc1CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001581644847 1020840871 /nfs/dbraw/zinc/84/08/71/1020840871.db2.gz MVNKBCFYBPWHHV-UHFFFAOYSA-N -1 0 318.301 -0.746 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)o1 ZINC001581606277 1020840930 /nfs/dbraw/zinc/84/09/30/1020840930.db2.gz LRBPFOQFRPDOIZ-WDSKDSINSA-N -1 0 318.301 -0.412 20 0 DBADRM Cc1nnc(COCC(=O)Nc2c[nH]nc2-c2nnn[n-]2)s1 ZINC001581611623 1020841072 /nfs/dbraw/zinc/84/10/72/1020841072.db2.gz YSSRQXVARFIEKN-UHFFFAOYSA-N -1 0 321.326 -0.095 20 0 DBADRM Cn1c(=O)[nH]c(N(CCO)CC(C)(C)C)c(-c2nnn[n-]2)c1=O ZINC001581746797 1020843745 /nfs/dbraw/zinc/84/37/45/1020843745.db2.gz MQGJSPWBWDCMFW-UHFFFAOYSA-N -1 0 323.357 -0.902 20 0 DBADRM Cn1c(=O)[nH]c(NCc2cccc(O)c2)c(-c2nnn[n-]2)c1=O ZINC001581747621 1020844493 /nfs/dbraw/zinc/84/44/93/1020844493.db2.gz RSJYVZYBLCOPRY-UHFFFAOYSA-N -1 0 315.293 -0.016 20 0 DBADRM Cn1c(=O)[nH]c(Nc2cnn(CCF)c2)c(-c2nnn[n-]2)c1=O ZINC001581747583 1020844525 /nfs/dbraw/zinc/84/45/25/1020844525.db2.gz PPQRFYXNSQFUGR-UHFFFAOYSA-N -1 0 321.276 -0.424 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H]2CC[C@H](CO)CC2)c(-c2nnn[n-]2)c1=O ZINC001581747794 1020844581 /nfs/dbraw/zinc/84/45/81/1020844581.db2.gz VNZMWZFWZXFERW-ZKCHVHJHSA-N -1 0 321.341 -0.371 20 0 DBADRM Cn1ccc(NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)nc1=O ZINC001581791789 1020848281 /nfs/dbraw/zinc/84/82/81/1020848281.db2.gz MWNLPAJRINLAQF-UHFFFAOYSA-N -1 0 313.277 -0.248 20 0 DBADRM Cn1ncc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c1Cl ZINC001581829726 1020849391 /nfs/dbraw/zinc/84/93/91/1020849391.db2.gz NUEJIMWEJHVWRX-UHFFFAOYSA-N -1 0 322.720 -0.725 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)Nc1c[nH]nc1-c1nnn[n-]1)CC2 ZINC001581846193 1020850770 /nfs/dbraw/zinc/85/07/70/1020850770.db2.gz YVEWKMBEHLLTBM-ZCFIWIBFSA-N -1 0 314.313 -0.538 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)Nc2c[nH]nc2-c2nnn[n-]2)O1 ZINC001581899353 1020856747 /nfs/dbraw/zinc/85/67/47/1020856747.db2.gz LVMWGQIWWOCZMD-SVRRBLITSA-N -1 0 320.313 -0.659 20 0 DBADRM Nc1sc2c(c1-c1nn[nH]n1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001581912932 1020860379 /nfs/dbraw/zinc/86/03/79/1020860379.db2.gz GXDZFGNZWPXHOR-UHFFFAOYSA-N -1 0 319.354 -0.108 20 0 DBADRM O=C(CC1(O)CCOCC1)NCc1ccnc(-c2nn[nH]n2)c1 ZINC001581965538 1020863589 /nfs/dbraw/zinc/86/35/89/1020863589.db2.gz LEQNRCWSAUFFPP-UHFFFAOYSA-N -1 0 318.337 -0.191 20 0 DBADRM O=C(CC1CCC1)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001581977417 1020865644 /nfs/dbraw/zinc/86/56/44/1020865644.db2.gz AHDHWKWIXJNXSQ-UHFFFAOYSA-N -1 0 302.342 -0.203 20 0 DBADRM O=C(C[C@H]1CCCO1)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001581992190 1020866116 /nfs/dbraw/zinc/86/61/16/1020866116.db2.gz FIMWHAVRTRHTBP-SECBINFHSA-N -1 0 318.341 -0.824 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCc1cncc(-c2nn[nH]n2)c1 ZINC001582049057 1020871577 /nfs/dbraw/zinc/87/15/77/1020871577.db2.gz QCIQNHDHIFGFAI-UHFFFAOYSA-N -1 0 314.313 -0.586 20 0 DBADRM O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1C[C@H](O)[C@@H](CO)C1 ZINC001582057494 1020873016 /nfs/dbraw/zinc/87/30/16/1020873016.db2.gz INQXJYIWKGPTKD-OLZOCXBDSA-N -1 0 317.349 -0.389 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)NC[C@@H]1CNC(=O)C1 ZINC001582129955 1020879232 /nfs/dbraw/zinc/87/92/32/1020879232.db2.gz FIDDASGUJMDMDH-VIFPVBQESA-N -1 0 316.321 -0.502 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001582187528 1020883785 /nfs/dbraw/zinc/88/37/85/1020883785.db2.gz FZKFPTMBFYMUDW-MTBHXBHISA-N -1 0 317.309 -0.956 20 0 DBADRM O=C(Cn1cccc(-c2nnn[n-]2)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001582191583 1020883812 /nfs/dbraw/zinc/88/38/12/1020883812.db2.gz BNYIKCLRGHHEJU-MRVPVSSYSA-N -1 0 323.334 -0.968 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H](CCO)C1CCCC1 ZINC001582198070 1020885003 /nfs/dbraw/zinc/88/50/03/1020885003.db2.gz LEJRQVIBGWUSAF-SNVBAGLBSA-N -1 0 320.357 -0.484 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H](CO)CC1CCCC1 ZINC001582198066 1020885230 /nfs/dbraw/zinc/88/52/30/1020885230.db2.gz LARXNEQZJVQNTA-SNVBAGLBSA-N -1 0 320.357 -0.484 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC=Cc1cccnc1 ZINC001582199673 1020885242 /nfs/dbraw/zinc/88/52/42/1020885242.db2.gz VCERTCDJIXXDGP-DUXPYHPUSA-N -1 0 311.309 -0.317 20 0 DBADRM O=C(NCC1CC(Nc2ccnc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001582423567 1020896631 /nfs/dbraw/zinc/89/66/31/1020896631.db2.gz MZMRDWGRBFIPCT-UHFFFAOYSA-N -1 0 314.353 -0.205 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)Cc2cnc[nH]2)c1[O-] ZINC001510837315 1020897510 /nfs/dbraw/zinc/89/75/10/1020897510.db2.gz IPGNKXCDHAZTJE-MRVPVSSYSA-N -1 0 320.353 -0.034 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)Cc2cnc[nH]2)c1[O-] ZINC001510837320 1020897553 /nfs/dbraw/zinc/89/75/53/1020897553.db2.gz IPGNKXCDHAZTJE-QMMMGPOBSA-N -1 0 320.353 -0.034 20 0 DBADRM O=C(NC[C@@H](O)CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001582528634 1020906030 /nfs/dbraw/zinc/90/60/30/1020906030.db2.gz FTOKOSCAUVDFOD-GSVOUGTGSA-N -1 0 319.734 -0.549 20 0 DBADRM O=C(Nc1c[nH]nc1-c1nnn[n-]1)[C@H]1CCc2nncn2CC1 ZINC001582650010 1020916629 /nfs/dbraw/zinc/91/66/29/1020916629.db2.gz LNBYHIUXLLDKAG-ZETCQYMHSA-N -1 0 314.313 -0.228 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CC(NC2COC2)C1 ZINC001582699950 1020918018 /nfs/dbraw/zinc/91/80/18/1020918018.db2.gz HVNWPZGQMFKCLV-UHFFFAOYSA-N -1 0 316.321 -0.615 20 0 DBADRM O=C(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CC(CO)(CO)C1 ZINC001582702564 1020919817 /nfs/dbraw/zinc/91/98/17/1020919817.db2.gz CTVSGMFCEBMGQI-UHFFFAOYSA-N -1 0 323.740 -0.053 20 0 DBADRM O=C(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1C[C@H](O)[C@H](CO)C1 ZINC001582702693 1020920069 /nfs/dbraw/zinc/92/00/69/1020920069.db2.gz KWDGAMAOMCPHRM-KWQFWETISA-N -1 0 323.740 -0.055 20 0 DBADRM O=C(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1C[C@H](CO)[C@H](O)C1 ZINC001582702694 1020920449 /nfs/dbraw/zinc/92/04/49/1020920449.db2.gz KWDGAMAOMCPHRM-LDYMZIIASA-N -1 0 323.740 -0.055 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1Cc1noc2c1COCC2 ZINC001582806485 1020925913 /nfs/dbraw/zinc/92/59/13/1020925913.db2.gz KYWOUYIZZFDQQV-UHFFFAOYSA-N -1 0 317.265 -0.762 20 0 DBADRM O=c1c2ccccc2ncn1CCn1cc(-c2nnn[n-]2)nn1 ZINC001582806926 1020926517 /nfs/dbraw/zinc/92/65/17/1020926517.db2.gz XRGBVESSFFRNFQ-UHFFFAOYSA-N -1 0 309.293 -0.132 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)C2(C)CCC2)c1[O-] ZINC001510908657 1020940623 /nfs/dbraw/zinc/94/06/23/1020940623.db2.gz ZHOCZVGDWAJWGK-SECBINFHSA-N -1 0 310.354 -0.179 20 0 DBADRM C/C(=C/C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001582989086 1020951575 /nfs/dbraw/zinc/95/15/75/1020951575.db2.gz DFGFOIOQVPVMMD-UIJKISKDSA-N -1 0 322.365 -0.013 20 0 DBADRM C/C=C(/C)C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001583194703 1020979455 /nfs/dbraw/zinc/97/94/55/1020979455.db2.gz AXSWWDOJTXDKDU-XGWCYQHWSA-N -1 0 307.310 -0.349 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2cnnn2C)c1[O-] ZINC001583219093 1020981267 /nfs/dbraw/zinc/98/12/67/1020981267.db2.gz IMUATPKADJZIIG-ONEGZZNKSA-N -1 0 319.325 -0.732 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001583556043 1020999681 /nfs/dbraw/zinc/99/96/81/1020999681.db2.gz UCHDRPIISOEJNC-UHFFFAOYSA-N -1 0 321.337 -0.753 20 0 DBADRM CC/C=C(\C)C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001584600294 1021022499 /nfs/dbraw/zinc/02/24/99/1021022499.db2.gz VXFSYYUNCIUWEM-LLGDCAAFSA-N -1 0 323.353 -0.237 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001511182577 1021026671 /nfs/dbraw/zinc/02/66/71/1021026671.db2.gz VLOJSTADBFQWMH-SCZZXKLOSA-N -1 0 311.342 -0.405 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001511182757 1021027475 /nfs/dbraw/zinc/02/74/75/1021027475.db2.gz APDPJNYUUTVJDY-JYUDYDOHSA-N -1 0 321.337 -0.032 20 0 DBADRM CC(=O)NCC(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C[C@@H]1C ZINC001511212725 1021030637 /nfs/dbraw/zinc/03/06/37/1021030637.db2.gz BQTGMFURTGFHCL-XVKPBYJWSA-N -1 0 323.353 -0.721 20 0 DBADRM COCCC(=O)NC[C@@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001511513631 1021075773 /nfs/dbraw/zinc/07/57/73/1021075773.db2.gz LJVVFIOGWRWZSM-SECBINFHSA-N -1 0 314.342 -0.991 20 0 DBADRM CN(C(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c1nnn[n-]1 ZINC001586262361 1021076950 /nfs/dbraw/zinc/07/69/50/1021076950.db2.gz ODASHTOFSYDPIH-UHFFFAOYSA-N -1 0 315.293 -0.332 20 0 DBADRM O=C(NC1CN(c2ccncn2)C1)c1c[n-]n2c1nccc2=O ZINC001587774488 1021085681 /nfs/dbraw/zinc/08/56/81/1021085681.db2.gz YLFHTPYXEFEZPP-UHFFFAOYSA-N -1 0 311.305 -0.569 20 0 DBADRM CC(=O)CSCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588489878 1021104619 /nfs/dbraw/zinc/10/46/19/1021104619.db2.gz RGFSQQCDYHWGSQ-SNVBAGLBSA-N -1 0 316.379 -0.110 20 0 DBADRM CC(=O)CSCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588489876 1021104790 /nfs/dbraw/zinc/10/47/90/1021104790.db2.gz RGFSQQCDYHWGSQ-JTQLQIEISA-N -1 0 316.379 -0.110 20 0 DBADRM CC(=O)N(C)c1ccc(NC(=O)c2cn(CC(=O)[O-])nn2)cn1 ZINC001588487239 1021105811 /nfs/dbraw/zinc/10/58/11/1021105811.db2.gz AORROPPSNZIODH-UHFFFAOYSA-N -1 0 318.293 -0.007 20 0 DBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)OCC(=O)C(=O)[O-])c2C1 ZINC001588501227 1021107217 /nfs/dbraw/zinc/10/72/17/1021107217.db2.gz AFBSSIISKQRVME-VIFPVBQESA-N -1 0 323.305 -0.608 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001588496876 1021107297 /nfs/dbraw/zinc/10/72/97/1021107297.db2.gz PBXPTLNOFVDCQN-UHFFFAOYSA-N -1 0 309.326 -0.998 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001588501546 1021107447 /nfs/dbraw/zinc/10/74/47/1021107447.db2.gz AXOWONDEEPVGAG-SECBINFHSA-N -1 0 323.309 -0.827 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001588498352 1021107771 /nfs/dbraw/zinc/10/77/71/1021107771.db2.gz UFVOLUGEDOUKST-DTWKUNHWSA-N -1 0 316.335 -0.864 20 0 DBADRM CC(=O)NCCN(C(=O)c1cc2n(n1)CCCO2)[C@H](C)C(=O)[O-] ZINC001588508750 1021108325 /nfs/dbraw/zinc/10/83/25/1021108325.db2.gz QVOFVNMUWSUKQF-SECBINFHSA-N -1 0 324.337 -0.283 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccnc2ccnn21)[C@@H](C)C(=O)[O-] ZINC001588508179 1021108409 /nfs/dbraw/zinc/10/84/09/1021108409.db2.gz CUMUGYLFMHJHAS-VIFPVBQESA-N -1 0 319.321 -0.219 20 0 DBADRM CC(=O)NCCN(C(=O)C1=C[S@@](=O)CCC1)[C@H](C)C(=O)[O-] ZINC001588506105 1021108631 /nfs/dbraw/zinc/10/86/31/1021108631.db2.gz DAIUCMFVWJUCFX-BTKVJGODSA-N -1 0 316.379 -0.149 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001588502700 1021108664 /nfs/dbraw/zinc/10/86/64/1021108664.db2.gz WTFPODSRVYURMA-UHFFFAOYSA-N -1 0 321.333 -0.357 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCc2nc[nH]c2C1)[C@H](C)C(=O)[O-] ZINC001588506711 1021109505 /nfs/dbraw/zinc/10/95/05/1021109505.db2.gz NXAFUIIFSNHJIN-MWLCHTKSSA-N -1 0 322.365 -0.048 20 0 DBADRM CC(=O)NCCN(C(=O)c1cn(C2CC2)nn1)[C@@H](C)C(=O)[O-] ZINC001588508830 1021110255 /nfs/dbraw/zinc/11/02/55/1021110255.db2.gz SOVVBVHRDBKLDT-QMMMGPOBSA-N -1 0 309.326 -0.336 20 0 DBADRM CC(=O)NCCN(Cc1ncnn1CCF)[C@@H](C)C(=O)[O-] ZINC001588515239 1021111466 /nfs/dbraw/zinc/11/14/66/1021111466.db2.gz ZSTORLVQRUXMDW-VIFPVBQESA-N -1 0 301.322 -0.341 20 0 DBADRM C=C/C=C/CCn1c(=O)c(-c2nnn[n-]2)c(C)n(CCO)c1=O ZINC001588531040 1021112437 /nfs/dbraw/zinc/11/24/37/1021112437.db2.gz XOFDFJHWDCYJJJ-SNAWJCMRSA-N -1 0 318.337 -0.377 20 0 DBADRM CC(=O)c1cn(C2CN(C(=O)[C@]3(C(=O)[O-])CCCO3)C2)nn1 ZINC001588533773 1021112533 /nfs/dbraw/zinc/11/25/33/1021112533.db2.gz LKMUGTZGPHDVGQ-ZDUSSCGKSA-N -1 0 308.294 -0.502 20 0 DBADRM CC(=O)c1ccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1O ZINC001588528373 1021112795 /nfs/dbraw/zinc/11/27/95/1021112795.db2.gz KFFZZUFMKRRCSG-UHFFFAOYSA-N -1 0 320.301 -0.036 20 0 DBADRM C=C/C=C\CCn1c(=O)c(-c2nnn[n-]2)c(C)n(CCO)c1=O ZINC001588531039 1021113251 /nfs/dbraw/zinc/11/32/51/1021113251.db2.gz XOFDFJHWDCYJJJ-PLNGDYQASA-N -1 0 318.337 -0.377 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C1CCOCC1 ZINC001588550914 1021116025 /nfs/dbraw/zinc/11/60/25/1021116025.db2.gz HGNGPTSICHUVQX-GXSJLCMTSA-N -1 0 319.379 -0.241 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 ZINC001588580569 1021116700 /nfs/dbraw/zinc/11/67/00/1021116700.db2.gz RENHMMRNPREXIF-MRVPVSSYSA-N -1 0 317.319 -0.023 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC001588564247 1021116834 /nfs/dbraw/zinc/11/68/34/1021116834.db2.gz FCCNTPMMNOXQQD-LLVKDONJSA-N -1 0 311.382 -0.280 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001588565646 1021117322 /nfs/dbraw/zinc/11/73/22/1021117322.db2.gz MZOHEMVNAGBDOX-UWVGGRQHSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NCCNS(=O)(=O)c1cccs1 ZINC001588572906 1021117495 /nfs/dbraw/zinc/11/74/95/1021117495.db2.gz TZOWXZVKNQCNNE-SSDOTTSWSA-N -1 0 306.365 -0.137 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001588571069 1021117930 /nfs/dbraw/zinc/11/79/30/1021117930.db2.gz VZHPVLTWEXGBSH-RKDXNWHRSA-N -1 0 304.310 -0.460 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC001588571352 1021117971 /nfs/dbraw/zinc/11/79/71/1021117971.db2.gz WVTNTBPRMAEHJI-NTSWFWBYSA-N -1 0 320.289 -0.354 20 0 DBADRM C[C@H]([C@H](C)N(C)CCS(=O)(=O)CC(=O)[O-])S(C)(=O)=O ZINC001588606965 1021119150 /nfs/dbraw/zinc/11/91/50/1021119150.db2.gz OYOIGMARCBNWBK-DTWKUNHWSA-N -1 0 315.413 -0.761 20 0 DBADRM C[C@H](C(=O)[O-])c1noc(CN(C)[C@H]2CCS(=O)(=O)C2)n1 ZINC001588601622 1021119578 /nfs/dbraw/zinc/11/95/78/1021119578.db2.gz GPMHWXFYWGVHHT-YUMQZZPRSA-N -1 0 303.340 -0.123 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(N2C(=O)[C@H]3[C@H](O)CCCN3C2=O)n1 ZINC001588619924 1021119956 /nfs/dbraw/zinc/11/99/56/1021119956.db2.gz INMPVCIALFDFQI-PSASIEDQSA-N -1 0 322.321 -0.005 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC001588618703 1021120614 /nfs/dbraw/zinc/12/06/14/1021120614.db2.gz UOEMRJXXNONVEA-MRVPVSSYSA-N -1 0 300.311 -0.493 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@H](CO)CN1CCOCC1 ZINC001588634404 1021121279 /nfs/dbraw/zinc/12/12/79/1021121279.db2.gz BIGNDXXZYRGJCX-WDEREUQCSA-N -1 0 302.371 -0.457 20 0 DBADRM CC(C)(C)[C@@H](O)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588638826 1021121767 /nfs/dbraw/zinc/12/17/67/1021121767.db2.gz JSYQVYIRWCFHCV-KOLCDFICSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)Cn2cccnc2=O)n1 ZINC001588622096 1021121775 /nfs/dbraw/zinc/12/17/75/1021121775.db2.gz ZFTCPYXRMDIXEQ-UHFFFAOYSA-N -1 0 305.294 -0.102 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001588631213 1021122215 /nfs/dbraw/zinc/12/22/15/1021122215.db2.gz GWQLYFAHJQAXMO-DTWKUNHWSA-N -1 0 319.383 -0.906 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@H](CO)CN1CCOCC1 ZINC001588634402 1021122226 /nfs/dbraw/zinc/12/22/26/1021122226.db2.gz BIGNDXXZYRGJCX-QWRGUYRKSA-N -1 0 302.371 -0.457 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC(NS(N)(=O)=O)CC1 ZINC001588631303 1021122372 /nfs/dbraw/zinc/12/23/72/1021122372.db2.gz JQUAARYOUYSRQO-VIFPVBQESA-N -1 0 321.399 -0.483 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001588651276 1021123019 /nfs/dbraw/zinc/12/30/19/1021123019.db2.gz FEHVDODRXIPURW-ZJUUUORDSA-N -1 0 312.322 -0.504 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@](C)(C(=O)[O-])C1)CS(N)(=O)=O ZINC001588778859 1021129808 /nfs/dbraw/zinc/12/98/08/1021129808.db2.gz BQZOAIDKACNDKI-LBPRGKRZSA-N -1 0 321.399 -0.193 20 0 DBADRM C=C1c2ccccc2C(=O)N1CC(=O)NCC(=O)NCC(=O)[O-] ZINC001588651295 1021123210 /nfs/dbraw/zinc/12/32/10/1021123210.db2.gz GHPSPSOTWIRAJD-UHFFFAOYSA-N -1 0 317.301 -0.570 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001588651787 1021123639 /nfs/dbraw/zinc/12/36/39/1021123639.db2.gz WXMHPNYCVBKLRH-ZJUUUORDSA-N -1 0 312.322 -0.504 20 0 DBADRM CC(C)(C)CC[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C(=O)[O-] ZINC001588645256 1021124044 /nfs/dbraw/zinc/12/40/44/1021124044.db2.gz KFSPHLWYAONCNS-DDHJBXDOSA-N -1 0 315.366 -0.205 20 0 DBADRM CC(C)(C)CN(CCO)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001588658153 1021124426 /nfs/dbraw/zinc/12/44/26/1021124426.db2.gz YYAYFSHHOMDBII-JTQLQIEISA-N -1 0 300.355 -0.214 20 0 DBADRM CC(C)(C)N1C[C@H](NC(=O)NCCOCC(=O)[O-])CC1=O ZINC001588658368 1021125010 /nfs/dbraw/zinc/12/50/10/1021125010.db2.gz FCYDJNFGXQNCRE-SECBINFHSA-N -1 0 301.343 -0.214 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)COCC(=O)[O-])CCO1 ZINC001588666562 1021125742 /nfs/dbraw/zinc/12/57/42/1021125742.db2.gz FBWVICFVRDOECO-VIFPVBQESA-N -1 0 303.311 -0.343 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)NCCCC(=O)[O-])C1 ZINC001588676279 1021125791 /nfs/dbraw/zinc/12/57/91/1021125791.db2.gz JGLCUTYNFOZYDW-UHFFFAOYSA-N -1 0 302.327 -0.051 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)C1(C(=O)[O-])CC1 ZINC001588708542 1021128767 /nfs/dbraw/zinc/12/87/67/1021128767.db2.gz JJRXJTGXOGRQIM-MRVPVSSYSA-N -1 0 302.327 -0.147 20 0 DBADRM CC(C)(CNC(=O)c1cn(CC(=O)[O-])nn1)CS(C)(=O)=O ZINC001588783917 1021129908 /nfs/dbraw/zinc/12/99/08/1021129908.db2.gz XSQKUQWEDPYPDT-UHFFFAOYSA-N -1 0 318.355 -0.837 20 0 DBADRM CC(C)(O)CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588795393 1021133384 /nfs/dbraw/zinc/13/33/84/1021133384.db2.gz HOURKWDMQFSAPG-VIFPVBQESA-N -1 0 301.343 -0.478 20 0 DBADRM CC(C)(CNC(=O)COCC(=O)[O-])[C@H]1COCC12OCCO2 ZINC001588779583 1021130267 /nfs/dbraw/zinc/13/02/67/1021130267.db2.gz PKFZCGFIWKFWMM-SNVBAGLBSA-N -1 0 317.338 -0.381 20 0 DBADRM CC(C)(CNC(=O)C1(C(=O)[O-])CCOCC1)CS(N)(=O)=O ZINC001588780295 1021131625 /nfs/dbraw/zinc/13/16/25/1021131625.db2.gz YVERZXNUNUIWBA-UHFFFAOYSA-N -1 0 322.383 -0.701 20 0 DBADRM CC(C)C(=O)NCCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001588799623 1021132100 /nfs/dbraw/zinc/13/21/00/1021132100.db2.gz VUQUXMBAIGIJRC-UHFFFAOYSA-N -1 0 309.322 -0.565 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])CC1 ZINC001588799164 1021132586 /nfs/dbraw/zinc/13/25/86/1021132586.db2.gz JECFXKKUIKWWRU-UHFFFAOYSA-N -1 0 313.354 -0.754 20 0 DBADRM CC(C)(NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1)C(=O)[O-] ZINC001588785734 1021133121 /nfs/dbraw/zinc/13/31/21/1021133121.db2.gz ILKQOYNQZASJNN-ZJUUUORDSA-N -1 0 307.306 -0.063 20 0 DBADRM CC(C)(O)C1CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001588795280 1021133149 /nfs/dbraw/zinc/13/31/49/1021133149.db2.gz GXOOTCBNSVOJHU-UHFFFAOYSA-N -1 0 319.379 -0.505 20 0 DBADRM CC(C)C(=O)NC1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001588799216 1021133608 /nfs/dbraw/zinc/13/36/08/1021133608.db2.gz NQWWRUIDNUCBQK-GFCCVEGCSA-N -1 0 311.382 -0.092 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588799600 1021133784 /nfs/dbraw/zinc/13/37/84/1021133784.db2.gz TVSIMVZSHWZFLP-TUAOUCFPSA-N -1 0 312.366 -0.311 20 0 DBADRM CC(C)(O)[C@H]1CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001588796094 1021133790 /nfs/dbraw/zinc/13/37/90/1021133790.db2.gz SELYXQGNIAUHSJ-WDEREUQCSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)OCC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001588812668 1021134760 /nfs/dbraw/zinc/13/47/60/1021134760.db2.gz GZRXXOFVPXDAKO-WPRPVWTQSA-N -1 0 306.336 -0.110 20 0 DBADRM CC(C)[C@](C)(O)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001588812518 1021134768 /nfs/dbraw/zinc/13/47/68/1021134768.db2.gz LYVIEQXEPMQGJD-IINYFYTJSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(=O)N1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001588806791 1021134775 /nfs/dbraw/zinc/13/47/75/1021134775.db2.gz GZRCXHUGEYCMHB-VIFPVBQESA-N -1 0 302.342 -0.253 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC001588813953 1021135566 /nfs/dbraw/zinc/13/55/66/1021135566.db2.gz NQQYCVACJCZOKQ-LBPRGKRZSA-N -1 0 314.338 -0.375 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC(F)(F)C[C@H]1CO)C(=O)[O-] ZINC001588815144 1021135798 /nfs/dbraw/zinc/13/57/98/1021135798.db2.gz DISRWDPYLFWNKS-IUCAKERBSA-N -1 0 322.308 -0.312 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1cnn(CC(=O)NCCO)c1 ZINC001588809242 1021135814 /nfs/dbraw/zinc/13/58/14/1021135814.db2.gz HVRXWMHJYQQYKP-NSHDSACASA-N -1 0 312.326 -0.713 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](O)[C@H]1C)C(=O)[O-] ZINC001588815792 1021136493 /nfs/dbraw/zinc/13/64/93/1021136493.db2.gz YFGHJGZCTSCWPJ-OUAUKWLOSA-N -1 0 300.355 -0.169 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](O)[C@H]1C)C(=O)[O-] ZINC001588815791 1021136821 /nfs/dbraw/zinc/13/68/21/1021136821.db2.gz YFGHJGZCTSCWPJ-GMTAPVOTSA-N -1 0 300.355 -0.169 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)Nc2c[nH]nc2-c2nnn[n-]2)C1 ZINC001588815730 1021136886 /nfs/dbraw/zinc/13/68/86/1021136886.db2.gz DZRBOUBLPFWBHH-MRVPVSSYSA-N -1 0 304.314 -0.213 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N(C)Cc1nnc2n1CCN(C)C2=O ZINC001588816888 1021137018 /nfs/dbraw/zinc/13/70/18/1021137018.db2.gz PYPNCMOKYKXKNN-SNVBAGLBSA-N -1 0 323.353 -0.321 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O)C(=O)[O-] ZINC001588815239 1021137693 /nfs/dbraw/zinc/13/76/93/1021137693.db2.gz HYLFVAIOTKTYON-IPAKZPSXSA-N -1 0 316.379 -0.809 20 0 DBADRM CC(C)[C@H](CNC(=O)NC[C@]1(O)CCS(=O)(=O)C1)C(=O)[O-] ZINC001588824808 1021139928 /nfs/dbraw/zinc/13/99/28/1021139928.db2.gz DXVDMXBZJRLVTE-JOYOIKCWSA-N -1 0 322.383 -0.808 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001588927483 1021154061 /nfs/dbraw/zinc/15/40/61/1021154061.db2.gz NXHHUQKXFRAKCJ-KYZUINATSA-N -1 0 307.372 -0.523 20 0 DBADRM CC(C)C[C@H](CNC(=O)N1CC(S(N)(=O)=O)C1)C(=O)[O-] ZINC001588846818 1021141066 /nfs/dbraw/zinc/14/10/66/1021141066.db2.gz KENASFWUICYKOO-MRVPVSSYSA-N -1 0 307.372 -0.584 20 0 DBADRM CC(C)C[C@H](CNC(=O)N(C)CCNS(C)(=O)=O)C(=O)[O-] ZINC001588846874 1021141530 /nfs/dbraw/zinc/14/15/30/1021141530.db2.gz PODBEDMKYDRKBX-SNVBAGLBSA-N -1 0 323.415 -0.076 20 0 DBADRM CC(C)C[C@H](CNC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC001588847046 1021142033 /nfs/dbraw/zinc/14/20/33/1021142033.db2.gz XOFZQSLPNBKIAU-SNVBAGLBSA-N -1 0 321.337 -0.246 20 0 DBADRM CC(C)NC(=O)CN1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001588925339 1021154719 /nfs/dbraw/zinc/15/47/19/1021154719.db2.gz JXCKVRHPBYTHEV-NSHDSACASA-N -1 0 311.382 -0.092 20 0 DBADRM C[C@@H](C(=O)N(C)CC(C)(C)CO)n1cnc(-c2nnn[n-]2)n1 ZINC001588936074 1021155693 /nfs/dbraw/zinc/15/56/93/1021155693.db2.gz IFWSUMQGXIQBCY-QMMMGPOBSA-N -1 0 308.346 -0.504 20 0 DBADRM C/C(=C/C(=O)N[C@H](Cn1cncn1)C(=O)[O-])CN1CCOCC1 ZINC001588938956 1021158820 /nfs/dbraw/zinc/15/88/20/1021158820.db2.gz OCTYKPZXHACMQX-HUMZTAOYSA-N -1 0 323.353 -0.874 20 0 DBADRM CC(C)[C@H](CO)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588954982 1021160841 /nfs/dbraw/zinc/16/08/41/1021160841.db2.gz XDRLGGDZCWZJCZ-QWRGUYRKSA-N -1 0 315.370 -0.232 20 0 DBADRM C[C@H](C(=O)N1C[C@@H](O)CC[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001588962550 1021161894 /nfs/dbraw/zinc/16/18/94/1021161894.db2.gz GJCLFOBZNFOMSW-YIZRAAEISA-N -1 0 306.330 -0.609 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H](CO)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588954901 1021162095 /nfs/dbraw/zinc/16/20/95/1021162095.db2.gz QODXKVJYTSHKED-IUCAKERBSA-N -1 0 306.330 -0.750 20 0 DBADRM CC(C)[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)C(=O)N1CCCC1 ZINC001588958544 1021162218 /nfs/dbraw/zinc/16/22/18/1021162218.db2.gz LFGDMBBAQJLEBY-LBPRGKRZSA-N -1 0 323.353 -0.261 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001588953988 1021162293 /nfs/dbraw/zinc/16/22/93/1021162293.db2.gz WQHSDQZDRGMSPQ-GXFFZTMASA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H]1CCO)n1cnc(-c2nnn[n-]2)n1 ZINC001588955111 1021162899 /nfs/dbraw/zinc/16/28/99/1021162899.db2.gz RKIAQDRIICMOEG-IUCAKERBSA-N -1 0 306.330 -0.607 20 0 DBADRM C[C@H](C(=O)N1CCOCC2(CC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588959663 1021163762 /nfs/dbraw/zinc/16/37/62/1021163762.db2.gz GULNGENBFUDORQ-SECBINFHSA-N -1 0 318.341 -0.342 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CC(C(=O)[O-])C1 ZINC001588950666 1021164232 /nfs/dbraw/zinc/16/42/32/1021164232.db2.gz SLOUOGQCIQJBRQ-SNVBAGLBSA-N -1 0 304.368 -0.364 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H]1CCO)n1cnc(-c2nnn[n-]2)n1 ZINC001588955110 1021164735 /nfs/dbraw/zinc/16/47/35/1021164735.db2.gz RKIAQDRIICMOEG-DTWKUNHWSA-N -1 0 306.330 -0.607 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H]1CCO)n1cnc(-c2nnn[n-]2)n1 ZINC001588955109 1021164926 /nfs/dbraw/zinc/16/49/26/1021164926.db2.gz RKIAQDRIICMOEG-BDAKNGLRSA-N -1 0 306.330 -0.607 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1COC2(CCC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588977930 1021166493 /nfs/dbraw/zinc/16/64/93/1021166493.db2.gz BIQQWDQAFPOISM-IUCAKERBSA-N -1 0 318.341 -0.153 20 0 DBADRM C[C@H](C(=O)N[C@H]1C[C@@H](O)C1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588970185 1021166693 /nfs/dbraw/zinc/16/66/93/1021166693.db2.gz BURHXBVGEBUQMR-GJMOJQLCSA-N -1 0 306.330 -0.705 20 0 DBADRM C[C@H](C(=O)NC[C@@H](O)CC(C)(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588977541 1021166810 /nfs/dbraw/zinc/16/68/10/1021166810.db2.gz BCNATMSDXJJLGJ-BDAKNGLRSA-N -1 0 322.373 -0.068 20 0 DBADRM C[C@H](C(=O)N[C@@H](CO)C1CCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588970514 1021166908 /nfs/dbraw/zinc/16/69/08/1021166908.db2.gz KLJZXBBWAHBJOM-APPZFPTMSA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@H](C(=O)NC(C)(C)C(C)(C)O)n1cnc(-c2nnn[n-]2)n1 ZINC001588966016 1021167788 /nfs/dbraw/zinc/16/77/88/1021167788.db2.gz RSSYDBFSAYYJRT-SSDOTTSWSA-N -1 0 308.346 -0.315 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C1(CO)CC1 ZINC001588966127 1021168349 /nfs/dbraw/zinc/16/83/49/1021168349.db2.gz VLGWFHDTLONQLL-HTQZYQBOSA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@H](C(=O)NCCC1CC(O)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588986799 1021174321 /nfs/dbraw/zinc/17/43/21/1021174321.db2.gz YXLWXVPTXMEPPK-AFPNSQJFSA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCOC1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588984369 1021175890 /nfs/dbraw/zinc/17/58/90/1021175890.db2.gz ZVNFSMNFWXNQSD-IUCAKERBSA-N -1 0 320.357 -0.050 20 0 DBADRM C[C@@H](C(=O)NCCOCC(F)F)n1cnc(-c2nnn[n-]2)n1 ZINC001588992097 1021175996 /nfs/dbraw/zinc/17/59/96/1021175996.db2.gz NRKPQXOSWRXWLQ-LURJTMIESA-N -1 0 316.272 -0.583 20 0 DBADRM C[C@@H](CC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)NC(N)=O ZINC001588988799 1021176940 /nfs/dbraw/zinc/17/69/40/1021176940.db2.gz KHHXMICDBODNIA-IUCAKERBSA-N -1 0 314.342 -0.985 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC001588997663 1021177508 /nfs/dbraw/zinc/17/75/08/1021177508.db2.gz DXWFPPQYXOPKRL-OPRDCNLKSA-N -1 0 301.343 -0.215 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001588997664 1021178117 /nfs/dbraw/zinc/17/81/17/1021178117.db2.gz DXWFPPQYXOPKRL-UTLUCORTSA-N -1 0 301.343 -0.215 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC001588998568 1021178183 /nfs/dbraw/zinc/17/81/83/1021178183.db2.gz KFPFSLONTNKFRA-RKDXNWHRSA-N -1 0 307.372 -0.475 20 0 DBADRM C[C@H](C(=O)NCc1cnccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001588999864 1021178914 /nfs/dbraw/zinc/17/89/14/1021178914.db2.gz PPALTTMCTRZPPT-SSDOTTSWSA-N -1 0 300.286 -0.874 20 0 DBADRM C[C@@H](C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001589003163 1021179381 /nfs/dbraw/zinc/17/93/81/1021179381.db2.gz QRQOWYWPMYOMHU-ZETCQYMHSA-N -1 0 311.323 -0.290 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001588996845 1021180095 /nfs/dbraw/zinc/18/00/95/1021180095.db2.gz LNMOSRUZOJFOKH-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC001588995300 1021180182 /nfs/dbraw/zinc/18/01/82/1021180182.db2.gz ZJWASQHJFNRJGR-ZCFIWIBFSA-N -1 0 323.309 -0.726 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC001588993786 1021180473 /nfs/dbraw/zinc/18/04/73/1021180473.db2.gz IVPFSDYTZUMQDT-MRVPVSSYSA-N -1 0 318.293 -0.420 20 0 DBADRM C[C@H](CC(=O)[O-])NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001589009240 1021181516 /nfs/dbraw/zinc/18/15/16/1021181516.db2.gz LWXNDKWLRFLKNE-RKDXNWHRSA-N -1 0 313.397 -0.406 20 0 DBADRM C[C@H](C(=O)OCCc1cnn(C)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001589030849 1021182972 /nfs/dbraw/zinc/18/29/72/1021182972.db2.gz PTYSRMZLCVYMCC-MRVPVSSYSA-N -1 0 317.313 -0.461 20 0 DBADRM CC(=O)C1(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001589024603 1021183004 /nfs/dbraw/zinc/18/30/04/1021183004.db2.gz SNEIWKMIPCMDMS-OAHLLOKOSA-N -1 0 310.350 -0.257 20 0 DBADRM C[C@H](C(=O)OCCCC1OCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001589028364 1021183027 /nfs/dbraw/zinc/18/30/27/1021183027.db2.gz VMZZAEKTOYMXSY-MRVPVSSYSA-N -1 0 323.313 -0.285 20 0 DBADRM C[C@@H](C(=O)O[C@H]1CCN(CCF)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001589028802 1021183297 /nfs/dbraw/zinc/18/32/97/1021183297.db2.gz YQLHUYZAXWQPQN-IUCAKERBSA-N -1 0 324.320 -0.394 20 0 DBADRM C[C@@H](C(=O)OC[C@@]1(F)CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001589027252 1021183982 /nfs/dbraw/zinc/18/39/82/1021183982.db2.gz MJMZFZYRTLDPLB-WRWORJQWSA-N -1 0 311.277 -0.309 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001589003220 1021184017 /nfs/dbraw/zinc/18/40/17/1021184017.db2.gz UIEFYOFEFUMLHG-XHNCKOQMSA-N -1 0 304.314 -0.928 20 0 DBADRM C[C@@H](C(=O)OC[C@]1(F)CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001589027241 1021184374 /nfs/dbraw/zinc/18/43/74/1021184374.db2.gz MJMZFZYRTLDPLB-CPCISQLKSA-N -1 0 311.277 -0.309 20 0 DBADRM C[C@H](C(=O)OCC(=O)NC(C)(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001589025819 1021185281 /nfs/dbraw/zinc/18/52/81/1021185281.db2.gz FNISWZCBDWXIRP-SSDOTTSWSA-N -1 0 322.329 -0.523 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)OCCn2cc(C(=O)[O-])nn2)C1 ZINC001589060911 1021186811 /nfs/dbraw/zinc/18/68/11/1021186811.db2.gz BUIRRBDUOIWOKB-CYBMUJFWSA-N -1 0 310.310 -0.222 20 0 DBADRM CC(=O)CCCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001589035387 1021186850 /nfs/dbraw/zinc/18/68/50/1021186850.db2.gz RTRUZSOVVPMESD-JTQLQIEISA-N -1 0 305.352 -0.154 20 0 DBADRM CC(=O)N1CC(C(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001589055478 1021186878 /nfs/dbraw/zinc/18/68/78/1021186878.db2.gz CGKKUTQIESRUKR-GFCCVEGCSA-N -1 0 305.334 -0.081 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])C1 ZINC001589060906 1021187234 /nfs/dbraw/zinc/18/72/34/1021187234.db2.gz BRGFIISCOMXCPY-GWCFXTLKSA-N -1 0 309.326 -0.894 20 0 DBADRM CC(=O)N(C)Cc1cn([C@H]2CCN(CCC(=O)[O-])C2=O)nn1 ZINC001589042393 1021187644 /nfs/dbraw/zinc/18/76/44/1021187644.db2.gz XWKHEHBKZUDQRX-NSHDSACASA-N -1 0 309.326 -0.496 20 0 DBADRM CC(=O)N1CC(C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)C1 ZINC001589056168 1021188428 /nfs/dbraw/zinc/18/84/28/1021188428.db2.gz KCRMNGDFYLAZTF-WBFHCKIUSA-N -1 0 310.350 -0.007 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)[C@@H](C)C1 ZINC001589085564 1021192619 /nfs/dbraw/zinc/19/26/19/1021192619.db2.gz WXRDNSSBWACQPG-INTQDDNPSA-N -1 0 304.368 -0.268 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])C1 ZINC001589066116 1021192659 /nfs/dbraw/zinc/19/26/59/1021192659.db2.gz DJNFSTJSGPCLDC-VXGBXAGGSA-N -1 0 308.338 -0.289 20 0 DBADRM CC(=O)N1CCC[C@@H](CN2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)C1 ZINC001589070206 1021192726 /nfs/dbraw/zinc/19/27/26/1021192726.db2.gz KVYRLRAYEHHZEC-DDHJBXDOSA-N -1 0 323.349 -0.114 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001589079251 1021193345 /nfs/dbraw/zinc/19/33/45/1021193345.db2.gz AEKXUUNPCVOJKJ-IEBDPFPHSA-N -1 0 312.322 -0.671 20 0 DBADRM CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001589098920 1021194743 /nfs/dbraw/zinc/19/47/43/1021194743.db2.gz OSDFLJZPFRFZNL-LBPRGKRZSA-N -1 0 304.302 -0.378 20 0 DBADRM CC(=O)N[C@@H](C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1)C(C)C ZINC001589100581 1021194876 /nfs/dbraw/zinc/19/48/76/1021194876.db2.gz RPROMKYDVCKXSA-CMPLNLGQSA-N -1 0 323.353 -0.090 20 0 DBADRM CC(=O)NC1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1 ZINC001589121508 1021196799 /nfs/dbraw/zinc/19/67/99/1021196799.db2.gz YGAHCVRPOUYHRP-UHFFFAOYSA-N -1 0 316.339 -0.603 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC1(C(=O)[O-])CC1 ZINC001589123461 1021197048 /nfs/dbraw/zinc/19/70/48/1021197048.db2.gz VKZAPJABQBHHOL-JTQLQIEISA-N -1 0 311.338 -0.906 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1cccc(C(=O)[O-])c1N ZINC001589127714 1021198091 /nfs/dbraw/zinc/19/80/91/1021198091.db2.gz KMXJLXJMUVGQLJ-UHFFFAOYSA-N -1 0 308.294 -0.842 20 0 DBADRM CC(C)(C)N1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)CC1=O ZINC001589133847 1021198322 /nfs/dbraw/zinc/19/83/22/1021198322.db2.gz GMZZMWVJUBGJSR-QMMMGPOBSA-N -1 0 302.342 -0.110 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001589136456 1021198968 /nfs/dbraw/zinc/19/89/68/1021198968.db2.gz MTOIEPBSSBJEEK-UHFFFAOYSA-N -1 0 310.310 -0.696 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)OCc1csc(C(=O)[O-])c1 ZINC001589127765 1021199945 /nfs/dbraw/zinc/19/99/45/1021199945.db2.gz OBEMZISQYSWMRK-UHFFFAOYSA-N -1 0 314.319 -0.258 20 0 DBADRM CC(C)(C)NC(=O)NC(=O)COc1cnc(-c2nnn[n-]2)nc1 ZINC001589141485 1021200490 /nfs/dbraw/zinc/20/04/90/1021200490.db2.gz QFZMIUXCWJGZGJ-UHFFFAOYSA-N -1 0 320.313 -0.340 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)CC(=O)Nc1cc(C)on1)C(=O)[O-] ZINC001589156157 1021203179 /nfs/dbraw/zinc/20/31/79/1021203179.db2.gz PMEPJPRJZLWVRN-PPRQPISWSA-N -1 0 317.323 -0.740 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001589165980 1021203352 /nfs/dbraw/zinc/20/33/52/1021203352.db2.gz ZYWLDUFRWDXCPZ-LLVKDONJSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001589229406 1021204813 /nfs/dbraw/zinc/20/48/13/1021204813.db2.gz RUZOSWUSAQLQAD-VHSXEESVSA-N -1 0 309.340 -0.821 20 0 DBADRM CC(=O)N[C@@H](CS[C@H](C)C(=O)NC[C@@H]1CCCO1)C(=O)[O-] ZINC001589157307 1021204940 /nfs/dbraw/zinc/20/49/40/1021204940.db2.gz KVKUAYZDXVABEN-MIMYLULJSA-N -1 0 318.395 -0.007 20 0 DBADRM CC(=O)Nc1cnccc1C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001589223111 1021205040 /nfs/dbraw/zinc/20/50/40/1021205040.db2.gz MFGOJAXKZJLCMW-NXEZZACHSA-N -1 0 307.306 -0.052 20 0 DBADRM CC(C)(C)OCC(=O)NCCNc1cncc(-c2nn[nH]n2)n1 ZINC001589194171 1021205218 /nfs/dbraw/zinc/20/52/18/1021205218.db2.gz YKVHIYDTALBBLS-UHFFFAOYSA-N -1 0 320.357 0.000 20 0 DBADRM C[C@H](C(=O)N1CC(C(=O)[O-])C1)N1C(=O)NC2(CCCC2)C1=O ZINC001589343723 1021211792 /nfs/dbraw/zinc/21/17/92/1021211792.db2.gz XFYPCUNMAFKRAW-MRVPVSSYSA-N -1 0 309.322 -0.218 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@H](NC(N)=O)C1 ZINC001589350734 1021212498 /nfs/dbraw/zinc/21/24/98/1021212498.db2.gz SWLRDYSFPPFIQR-ONGXEEELSA-N -1 0 312.370 -0.559 20 0 DBADRM C[C@H](C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])N1CCN(C)CC1 ZINC001589346788 1021214455 /nfs/dbraw/zinc/21/44/55/1021214455.db2.gz VEZNOOPFVUONDU-ZJUUUORDSA-N -1 0 305.325 -0.057 20 0 DBADRM C[C@@H](C(=O)N1CC(C)(C(=O)[O-])C1)n1cnc2c1ncnc2N ZINC001589346446 1021215679 /nfs/dbraw/zinc/21/56/79/1021215679.db2.gz QKQZTHYAYHWLSZ-ZETCQYMHSA-N -1 0 304.310 -0.097 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001589338090 1021217821 /nfs/dbraw/zinc/21/78/21/1021217821.db2.gz ZSMKUQDYTVFDHY-WPRPVWTQSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@H](C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1)[C@@H]1CCC(=O)N1 ZINC001589356276 1021219817 /nfs/dbraw/zinc/21/98/17/1021219817.db2.gz ISDUCUHFJQWDAN-GUBZILKMSA-N -1 0 321.337 -0.336 20 0 DBADRM C[C@H](C(=O)NC(=O)NC1CC1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001589376831 1021221371 /nfs/dbraw/zinc/22/13/71/1021221371.db2.gz ZZMLGKFDOLZYCL-LDYMZIIASA-N -1 0 313.354 -0.479 20 0 DBADRM C[C@@H](C(=O)NC(C)(C)C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001589378246 1021226191 /nfs/dbraw/zinc/22/61/91/1021226191.db2.gz FWPBDOBVIPDHEN-QMMMGPOBSA-N -1 0 307.368 -0.052 20 0 DBADRM C[C@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)[C@H](C)S(C)(=O)=O ZINC001589360340 1021226237 /nfs/dbraw/zinc/22/62/37/1021226237.db2.gz KKMWVBOTSDLLOS-GUBZILKMSA-N -1 0 307.368 -0.242 20 0 DBADRM C[C@@H](C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-])N1CCN(C)CC1 ZINC001589380596 1021229522 /nfs/dbraw/zinc/22/95/22/1021229522.db2.gz AVUSIJKKMFXHMS-SWLSCSKDSA-N -1 0 323.397 -0.522 20 0 DBADRM C[C@H](C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-])N1CCN(C)CC1 ZINC001589380594 1021231121 /nfs/dbraw/zinc/23/11/21/1021231121.db2.gz AVUSIJKKMFXHMS-DOMZBBRYSA-N -1 0 323.397 -0.522 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](c2ccnc(N)n2)C1 ZINC001589396519 1021231622 /nfs/dbraw/zinc/23/16/22/1021231622.db2.gz GHDJJCYYWWVWGL-NXEZZACHSA-N -1 0 307.354 -0.173 20 0 DBADRM C[C@@H](C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-])S(C)(=O)=O ZINC001589381218 1021231819 /nfs/dbraw/zinc/23/18/19/1021231819.db2.gz OMIAVGYRMDADRD-KWQFWETISA-N -1 0 303.340 -0.724 20 0 DBADRM CC(C)C(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001589403590 1021234751 /nfs/dbraw/zinc/23/47/51/1021234751.db2.gz JYTMZLMTFVDJOL-UHFFFAOYSA-N -1 0 302.342 -0.205 20 0 DBADRM C[C@@H](C(=O)NC[C@H](O)CC(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC001589403288 1021235626 /nfs/dbraw/zinc/23/56/26/1021235626.db2.gz FLXHKTCOONCHPB-GXSJLCMTSA-N -1 0 319.321 -0.147 20 0 DBADRM C[C@H](C(=O)NCCc1cccc(C(=O)[O-])c1)N1CCNCC1=O ZINC001589410106 1021236937 /nfs/dbraw/zinc/23/69/37/1021236937.db2.gz SQQOGDUKGNOMGU-LLVKDONJSA-N -1 0 319.361 -0.136 20 0 DBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1)N1CCNCC1=O ZINC001589424006 1021242914 /nfs/dbraw/zinc/24/29/14/1021242914.db2.gz QLTYTUQMDNJHEA-MFKMUULPSA-N -1 0 305.334 -0.251 20 0 DBADRM CC(C)[C@@H](CO)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589460416 1021243273 /nfs/dbraw/zinc/24/32/73/1021243273.db2.gz PVFAPJFILDJYER-SECBINFHSA-N -1 0 323.361 -0.978 20 0 DBADRM CC(C)[C@@H](CO)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001589460104 1021244269 /nfs/dbraw/zinc/24/42/69/1021244269.db2.gz MXPTYYYXDZEAFQ-SSDOTTSWSA-N -1 0 309.330 -0.658 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC001589423605 1021247013 /nfs/dbraw/zinc/24/70/13/1021247013.db2.gz MFSQENFAXWGDNQ-IUCAKERBSA-N -1 0 307.368 -0.052 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)NCCOCC(=O)[O-] ZINC001589722531 1021291873 /nfs/dbraw/zinc/29/18/73/1021291873.db2.gz IZIJJCDNJYEFQB-UWVGGRQHSA-N -1 0 306.359 -0.455 20 0 DBADRM CC(C)[C@@H](O)CCn1cnc2ncc(-c3nnn[n-]3)c(=O)n21 ZINC001589479594 1021252178 /nfs/dbraw/zinc/25/21/78/1021252178.db2.gz FSVXAABGCUCDMI-VIFPVBQESA-N -1 0 304.314 -0.522 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)c1cn(CC(=O)N(C)C)nn1)C1CCC1 ZINC001589478967 1021254383 /nfs/dbraw/zinc/25/43/83/1021254383.db2.gz OZBSJQCDULSHGO-SECBINFHSA-N -1 0 323.353 -0.166 20 0 DBADRM CC(C)(C(=O)N[C@H](CCC1OCCO1)C(=O)[O-])S(C)(=O)=O ZINC001589567481 1021257436 /nfs/dbraw/zinc/25/74/36/1021257436.db2.gz QUWIRIBEJZISSY-MRVPVSSYSA-N -1 0 323.367 -0.468 20 0 DBADRM CC(C)(C(=O)N1CCC(O)(C(=O)[O-])CC1)S(=O)(=O)C1CC1 ZINC001589562360 1021257507 /nfs/dbraw/zinc/25/75/07/1021257507.db2.gz AKMKKLGXSJBTDQ-UHFFFAOYSA-N -1 0 319.379 -0.220 20 0 DBADRM C[C@@H](C(=O)OCc1cnc(C(=O)[O-])cn1)N1C(=O)CCC1=O ZINC001589547830 1021260503 /nfs/dbraw/zinc/26/05/03/1021260503.db2.gz SZBVCCLLNQTADF-ZETCQYMHSA-N -1 0 307.262 -0.245 20 0 DBADRM CC(C)[C@H]1NC(=O)N(CCn2cnc(-c3nnn[n-]3)n2)C1=O ZINC001589520926 1021261195 /nfs/dbraw/zinc/26/11/95/1021261195.db2.gz LKBJWICZQPJRTE-SSDOTTSWSA-N -1 0 305.302 -0.965 20 0 DBADRM CC(C)(C(=O)NC[C@@]1(C(=O)[O-])CCOC1)N1CCOCC1 ZINC001589570965 1021262350 /nfs/dbraw/zinc/26/23/50/1021262350.db2.gz QNYWSIUWEYGCQL-AWEZNQCLSA-N -1 0 300.355 -0.295 20 0 DBADRM CC(C)(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])N1CCOCC1 ZINC001589571888 1021263063 /nfs/dbraw/zinc/26/30/63/1021263063.db2.gz FHYSNFFBGKCDRG-GHMZBOCLSA-N -1 0 300.355 -0.297 20 0 DBADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CCNC(=O)CO)C1 ZINC001589605103 1021263761 /nfs/dbraw/zinc/26/37/61/1021263761.db2.gz DYFXJISGTVAIJS-JTQLQIEISA-N -1 0 300.355 -0.166 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001589689875 1021276951 /nfs/dbraw/zinc/27/69/51/1021276951.db2.gz BMOKAZCHRYRHAY-SECBINFHSA-N -1 0 316.354 -0.129 20 0 DBADRM CC(C)(C)C(=O)C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001589685241 1021277239 /nfs/dbraw/zinc/27/72/39/1021277239.db2.gz WDZJSIZYWHEZRJ-VHSXEESVSA-N -1 0 310.350 -0.103 20 0 DBADRM CC(C)(C(N)=O)C(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001589682025 1021277423 /nfs/dbraw/zinc/27/74/23/1021277423.db2.gz MKNRJKBFOBRXEK-MRVPVSSYSA-N -1 0 321.337 -0.619 20 0 DBADRM CC(C)(C(N)=O)C(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001589681999 1021278212 /nfs/dbraw/zinc/27/82/12/1021278212.db2.gz LFQZGPZSVYYDBZ-SECBINFHSA-N -1 0 321.337 -0.301 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cn1 ZINC001589670092 1021281592 /nfs/dbraw/zinc/28/15/92/1021281592.db2.gz QVASJVMNYICZHZ-DTWKUNHWSA-N -1 0 310.310 -0.326 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C2CS(=O)(=O)C2)n1 ZINC001589672635 1021281739 /nfs/dbraw/zinc/28/17/39/1021281739.db2.gz VCZDXQSPSAZISC-UHFFFAOYSA-N -1 0 301.324 -0.314 20 0 DBADRM CC(C)(C)C(=O)C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001589685240 1021282119 /nfs/dbraw/zinc/28/21/19/1021282119.db2.gz WDZJSIZYWHEZRJ-UWVGGRQHSA-N -1 0 310.350 -0.103 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)N2C[C@H](O)C[C@H]2CO)cn1 ZINC001589672871 1021284455 /nfs/dbraw/zinc/28/44/55/1021284455.db2.gz QVNINXPLRLEPEP-VHSXEESVSA-N -1 0 312.326 -0.338 20 0 DBADRM CC(C)(C)[C@@H](O)C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589722717 1021287128 /nfs/dbraw/zinc/28/71/28/1021287128.db2.gz NVJYFIAEKGHDLQ-QMMMGPOBSA-N -1 0 307.368 -0.458 20 0 DBADRM CC(C)(C)[C@H](O)C[C@H](CO)NS(=O)(=O)CCCC(=O)[O-] ZINC001589723118 1021290890 /nfs/dbraw/zinc/29/08/90/1021290890.db2.gz SRQJNMWTYJFYNT-NXEZZACHSA-N -1 0 311.400 -0.071 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@@H](CO)NS(=O)(=O)CCCC(=O)[O-] ZINC001589723119 1021294823 /nfs/dbraw/zinc/29/48/23/1021294823.db2.gz SRQJNMWTYJFYNT-UWVGGRQHSA-N -1 0 311.400 -0.071 20 0 DBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001589716150 1021295261 /nfs/dbraw/zinc/29/52/61/1021295261.db2.gz CBAILVCTBBZIAP-QMMMGPOBSA-N -1 0 301.343 -0.493 20 0 DBADRM CC(C)(C)[C@H](O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001589721246 1021296369 /nfs/dbraw/zinc/29/63/69/1021296369.db2.gz ZCKQYAQUTWXPRN-ABAIWWIYSA-N -1 0 314.382 -0.219 20 0 DBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001589718209 1021297695 /nfs/dbraw/zinc/29/76/95/1021297695.db2.gz ZYPBGSCRXABJIT-UWVGGRQHSA-N -1 0 315.370 -0.247 20 0 DBADRM CC(C)(C)CN(CCO)C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001589781150 1021300665 /nfs/dbraw/zinc/30/06/65/1021300665.db2.gz XGLMCCMURHXWCV-NXEZZACHSA-N -1 0 300.355 -0.310 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CN[C@](C)(CCF)C(=O)[O-] ZINC001589823572 1021311120 /nfs/dbraw/zinc/31/11/20/1021311120.db2.gz IKEARYPFOKVCNF-CYBMUJFWSA-N -1 0 305.350 -0.190 20 0 DBADRM C[C@@H](CCCO)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001589821964 1021309280 /nfs/dbraw/zinc/30/92/80/1021309280.db2.gz ZJQJDBYTMTUSLP-QMMMGPOBSA-N -1 0 312.355 -0.299 20 0 DBADRM C[C@H](CCCO)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001589821963 1021309398 /nfs/dbraw/zinc/30/93/98/1021309398.db2.gz ZJQJDBYTMTUSLP-MRVPVSSYSA-N -1 0 312.355 -0.299 20 0 DBADRM C[C@H](CN(C)C(=O)c1cccc(-c2nn[nH]n2)n1)c1nnn[n-]1 ZINC001589840667 1021312179 /nfs/dbraw/zinc/31/21/79/1021312179.db2.gz CVBQXGSLXPAUJN-SSDOTTSWSA-N -1 0 314.313 -0.350 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)NCc1nc(C(=O)[O-])co1 ZINC001589835212 1021313909 /nfs/dbraw/zinc/31/39/09/1021313909.db2.gz XBAMWGQIGFTFIK-UHFFFAOYSA-N -1 0 319.339 -0.293 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589847140 1021314074 /nfs/dbraw/zinc/31/40/74/1021314074.db2.gz COEKBMWWKJAJTQ-SECBINFHSA-N -1 0 306.326 -0.090 20 0 DBADRM C[C@H](CCO)N(C)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001589835026 1021314784 /nfs/dbraw/zinc/31/47/84/1021314784.db2.gz UBCNLLYJWAYXFJ-MRVPVSSYSA-N -1 0 312.355 -0.347 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001589835099 1021315693 /nfs/dbraw/zinc/31/56/93/1021315693.db2.gz TZTDLOZULGAGMZ-LBPRGKRZSA-N -1 0 322.383 -0.688 20 0 DBADRM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1nnn[n-]1 ZINC001589840373 1021316606 /nfs/dbraw/zinc/31/66/06/1021316606.db2.gz IMSWIINSKTVLEZ-LURJTMIESA-N -1 0 302.302 -0.416 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCCF)C2)c1[O-] ZINC001513027638 1021323925 /nfs/dbraw/zinc/32/39/25/1021323925.db2.gz DUNWMFMDVHVOEO-RKDXNWHRSA-N -1 0 314.317 -0.525 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1CN(Cn2cnc(C(=O)[O-])n2)CCO1 ZINC001589865462 1021324990 /nfs/dbraw/zinc/32/49/90/1021324990.db2.gz BBDIARYHLOMJGN-SECBINFHSA-N -1 0 312.326 -0.024 20 0 DBADRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)CCC(N)=O ZINC001589877840 1021327080 /nfs/dbraw/zinc/32/70/80/1021327080.db2.gz PKUNHAZZEWEHSW-UHFFFAOYSA-N -1 0 302.327 -0.103 20 0 DBADRM CC(C)(C)OC(=O)CCCNC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001589874732 1021328576 /nfs/dbraw/zinc/32/85/76/1021328576.db2.gz PTRVQEUWYLWSDQ-UHFFFAOYSA-N -1 0 302.327 -0.051 20 0 DBADRM CC(C)(C)OC(=O)N1CC(C(=O)N[C@@](C)(CO)C(=O)[O-])C1 ZINC001589909710 1021333377 /nfs/dbraw/zinc/33/33/77/1021333377.db2.gz MLLRMCONSGJCAT-ZDUSSCGKSA-N -1 0 302.327 -0.195 20 0 DBADRM CC(C)(C)OC(=O)N1CC(C(=O)NC[C@@](C)(O)C(=O)[O-])C1 ZINC001589910274 1021334894 /nfs/dbraw/zinc/33/48/94/1021334894.db2.gz ZTFYKRGGHULNEU-CYBMUJFWSA-N -1 0 302.327 -0.195 20 0 DBADRM CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC001589921014 1021336409 /nfs/dbraw/zinc/33/64/09/1021336409.db2.gz UPALHKJQOHRRFW-DTWKUNHWSA-N -1 0 320.317 -0.247 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)[O-] ZINC001589988064 1021347060 /nfs/dbraw/zinc/34/70/60/1021347060.db2.gz GQLUNNCHKXXLKB-GFCCVEGCSA-N -1 0 324.272 -0.037 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)C1(CO)CC1 ZINC001589977563 1021347596 /nfs/dbraw/zinc/34/75/96/1021347596.db2.gz XHKUJAGTMMXYQK-MRVPVSSYSA-N -1 0 324.366 -0.299 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1cccnc1-c1nnn[n-]1)C1CC1 ZINC001589990503 1021347993 /nfs/dbraw/zinc/34/79/93/1021347993.db2.gz JUVYQIFJXILCMW-GFCCVEGCSA-N -1 0 324.366 -0.299 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC001589979800 1021348563 /nfs/dbraw/zinc/34/85/63/1021348563.db2.gz YVAGOOBYTJCRNK-SDBXPKJASA-N -1 0 320.317 -0.103 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001589996074 1021350869 /nfs/dbraw/zinc/35/08/69/1021350869.db2.gz PREXWLWNCSFHNX-RKDXNWHRSA-N -1 0 324.366 -0.347 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC001513480855 1021372834 /nfs/dbraw/zinc/37/28/34/1021372834.db2.gz DLVLEFQTYQMCTA-WQFVMHTJSA-N -1 0 308.338 -0.309 20 0 DBADRM CC(C)(C)OC(=O)N1CCCN(CC(N)=O)[C@@H](C(=O)[O-])C1 ZINC001590035124 1021377055 /nfs/dbraw/zinc/37/70/55/1021377055.db2.gz QSGBZBQSJPGAHA-SECBINFHSA-N -1 0 301.343 -0.132 20 0 DBADRM CC1(C(=O)NCCCNc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001590067804 1021377171 /nfs/dbraw/zinc/37/71/71/1021377171.db2.gz LPVDBCUQGHLVED-UHFFFAOYSA-N -1 0 302.342 -0.203 20 0 DBADRM C[C@H](O)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590003858 1021378958 /nfs/dbraw/zinc/37/89/58/1021378958.db2.gz QZCDNDSAQNOPFQ-JGVFFNPUSA-N -1 0 313.339 -0.006 20 0 DBADRM CC1(C)C[C@](C)(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C(=O)O1 ZINC001590081120 1021382205 /nfs/dbraw/zinc/38/22/05/1021382205.db2.gz ZXWQYEMTKRDHSV-LBPRGKRZSA-N -1 0 320.313 -0.941 20 0 DBADRM CC1(C(=O)NCCNc2ccnc(-c3nnn[n-]3)n2)CCC1 ZINC001590068525 1021383926 /nfs/dbraw/zinc/38/39/26/1021383926.db2.gz YPMBUKIBJXFALP-UHFFFAOYSA-N -1 0 302.342 -0.203 20 0 DBADRM CC1(CO)CN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001590137255 1021386646 /nfs/dbraw/zinc/38/66/46/1021386646.db2.gz WLZPECPYBACCBX-UHFFFAOYSA-N -1 0 315.380 -0.069 20 0 DBADRM C[C@]1(O)CCCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590149999 1021393090 /nfs/dbraw/zinc/39/30/90/1021393090.db2.gz FYMDSJNZRJKPKC-LBPRGKRZSA-N -1 0 321.345 -0.985 20 0 DBADRM CC1=CCN(C(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC1 ZINC001590160848 1021394653 /nfs/dbraw/zinc/39/46/53/1021394653.db2.gz IFWCUWOTYIBNQL-UHFFFAOYSA-N -1 0 317.309 -0.692 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001590167807 1021402662 /nfs/dbraw/zinc/40/26/62/1021402662.db2.gz PMTHLYGJXFKQKV-BNJANLQDSA-N -1 0 322.394 -0.173 20 0 DBADRM C[C@H](C(=O)N1CC[C@H](CO)[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590168627 1021407682 /nfs/dbraw/zinc/40/76/82/1021407682.db2.gz LVTFYXNLZPWRPO-IWSPIJDZSA-N -1 0 306.330 -0.752 20 0 DBADRM C[C@H]1C[C@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CS1 ZINC001590209055 1021430333 /nfs/dbraw/zinc/43/03/33/1021430333.db2.gz ZFNOUBUXQHTDNK-BQBZGAKWSA-N -1 0 323.382 -0.430 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCS1 ZINC001590263492 1021433049 /nfs/dbraw/zinc/43/30/49/1021433049.db2.gz IFTKNQXGTIBIPP-MRVPVSSYSA-N -1 0 308.371 -0.188 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)N1CC(O)C1 ZINC001590268230 1021433256 /nfs/dbraw/zinc/43/32/56/1021433256.db2.gz JSQDLLAQOGGPTD-SECBINFHSA-N -1 0 302.327 -0.052 20 0 DBADRM C[C@H]1CCCCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001590257542 1021433836 /nfs/dbraw/zinc/43/38/36/1021433836.db2.gz VLPAEXRMLPJDLL-QMMMGPOBSA-N -1 0 305.342 -0.357 20 0 DBADRM C[C@@H](C(=O)NN1CCCC[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590257794 1021434155 /nfs/dbraw/zinc/43/41/55/1021434155.db2.gz ZGZHWSQWSMBHKG-IUCAKERBSA-N -1 0 305.346 -0.075 20 0 DBADRM C[C@@H]1CC[C@H](CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)O1 ZINC001590229575 1021434283 /nfs/dbraw/zinc/43/42/83/1021434283.db2.gz IUXJMJINYBEKDN-RNFRBKRXSA-N -1 0 307.314 -0.355 20 0 DBADRM C[C@@H]1CCCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001590253538 1021434773 /nfs/dbraw/zinc/43/47/73/1021434773.db2.gz GHIHQADAJQSYHV-SECBINFHSA-N -1 0 319.369 -0.110 20 0 DBADRM CC(C)(C)OC(=O)NOCC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001590232936 1021439491 /nfs/dbraw/zinc/43/94/91/1021439491.db2.gz MGBUDLWPUZDEIU-IUCAKERBSA-N -1 0 318.326 -0.263 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590278231 1021443782 /nfs/dbraw/zinc/44/37/82/1021443782.db2.gz QDDLSNQOTMXCJZ-RDDDGLTNSA-N -1 0 316.321 -0.173 20 0 DBADRM C[C@@H]1CN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCCO1 ZINC001590291425 1021444727 /nfs/dbraw/zinc/44/47/27/1021444727.db2.gz OJBQFAASPGUGKH-SECBINFHSA-N -1 0 321.345 -0.721 20 0 DBADRM C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@@H](C)[C@H]1C ZINC001590313386 1021455114 /nfs/dbraw/zinc/45/51/14/1021455114.db2.gz PFGUBCGIFWUFBE-CSMHCCOUSA-N -1 0 305.342 -0.266 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001590315654 1021458729 /nfs/dbraw/zinc/45/87/29/1021458729.db2.gz ZONXQNNCGHOGTF-YUMQZZPRSA-N -1 0 310.339 -0.737 20 0 DBADRM C[C@H](C(=O)N1CCOC[C@H](C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001590326335 1021461427 /nfs/dbraw/zinc/46/14/27/1021461427.db2.gz OHJAUUCUTQPLEG-RKDXNWHRSA-N -1 0 306.330 -0.486 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590323675 1021464064 /nfs/dbraw/zinc/46/40/64/1021464064.db2.gz NJHACFFCRRRHKV-SCZZXKLOSA-N -1 0 319.321 -0.206 20 0 DBADRM C[C@@H]1SCC[C@@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590339924 1021470191 /nfs/dbraw/zinc/47/01/91/1021470191.db2.gz ZOKDNQOQGPMZGD-WDSKDSINSA-N -1 0 309.355 -0.028 20 0 DBADRM CCC(=O)N1C[C@H](C)[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590359946 1021472135 /nfs/dbraw/zinc/47/21/35/1021472135.db2.gz QQJKXNSKTHZEQI-VHSXEESVSA-N -1 0 316.369 -0.005 20 0 DBADRM CC=CC[C@H]1NC(=O)N(CCn2cnc(-c3nnn[n-]3)n2)C1=O ZINC001590352933 1021473967 /nfs/dbraw/zinc/47/39/67/1021473967.db2.gz DOHSVNKXJBZKRH-UFUPEUMYSA-N -1 0 317.313 -0.655 20 0 DBADRM CCC(=O)N1C[C@@H](C)[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590359948 1021478816 /nfs/dbraw/zinc/47/88/16/1021478816.db2.gz QQJKXNSKTHZEQI-ZJUUUORDSA-N -1 0 316.369 -0.005 20 0 DBADRM CCC(C)(C)NC(=O)Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001590376714 1021482735 /nfs/dbraw/zinc/48/27/35/1021482735.db2.gz KVWZOQJDLDBFDG-UHFFFAOYSA-N -1 0 307.314 -0.566 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001590422199 1021484541 /nfs/dbraw/zinc/48/45/41/1021484541.db2.gz JBQCQRPXBKEUCY-UHFFFAOYSA-N -1 0 318.355 -0.694 20 0 DBADRM CC[C@H](C[C@@H](C)CO)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590426158 1021484781 /nfs/dbraw/zinc/48/47/81/1021484781.db2.gz WGGYIXUCSWFNLX-KXUCPTDWSA-N -1 0 322.373 -0.068 20 0 DBADRM CCC(CC)[C@@H](O)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590432990 1021487761 /nfs/dbraw/zinc/48/77/61/1021487761.db2.gz UVZVNPWQTBFRBF-SCZZXKLOSA-N -1 0 322.373 -0.068 20 0 DBADRM CC[C@H](C)N(OC)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590412285 1021487968 /nfs/dbraw/zinc/48/79/68/1021487968.db2.gz NILZZJWUAZSUFQ-ZETCQYMHSA-N -1 0 323.313 -0.683 20 0 DBADRM CC[C@H](C[C@@H](C)O)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001590420745 1021489800 /nfs/dbraw/zinc/48/98/00/1021489800.db2.gz BATIZKVEKYHWBE-HTQZYQBOSA-N -1 0 323.357 -0.775 20 0 DBADRM CC(C)(C)[S@@](=O)CCNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001590425621 1021491475 /nfs/dbraw/zinc/49/14/75/1021491475.db2.gz GAQZFCKBLALNID-JYFUKTADSA-N -1 0 318.395 -0.371 20 0 DBADRM CC[C@@H](CO)NS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001590448350 1021500735 /nfs/dbraw/zinc/50/07/35/1021500735.db2.gz MDESLSZWOSMPFQ-LURJTMIESA-N -1 0 303.369 -0.023 20 0 DBADRM CC[C@@H]1CN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001590517796 1021504949 /nfs/dbraw/zinc/50/49/49/1021504949.db2.gz QMIRHQRJVWDLPH-YIZRAAEISA-N -1 0 306.330 -0.752 20 0 DBADRM CC[C@H]1CN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001590516379 1021507435 /nfs/dbraw/zinc/50/74/35/1021507435.db2.gz FERIJQWTCBXNRB-IUCAKERBSA-N -1 0 306.330 -0.343 20 0 DBADRM CC[C@H](SC)C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001590482130 1021510898 /nfs/dbraw/zinc/51/08/98/1021510898.db2.gz WKTHGZWZNAXVSM-QMMMGPOBSA-N -1 0 322.398 -0.252 20 0 DBADRM CC[C@@H]1COCCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590525080 1021514013 /nfs/dbraw/zinc/51/40/13/1021514013.db2.gz DWJWKGTUBGGMCT-SECBINFHSA-N -1 0 321.345 -0.721 20 0 DBADRM CC(C)(C)n1cc(C(=O)NCCn2cc(C(=O)[O-])nn2)nn1 ZINC001590593291 1021517552 /nfs/dbraw/zinc/51/75/52/1021517552.db2.gz FXQLRYGLJNHGQB-UHFFFAOYSA-N -1 0 307.314 -0.247 20 0 DBADRM C/C=C(\C)C(=O)N[C@H]1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001514899670 1021517547 /nfs/dbraw/zinc/51/75/47/1021517547.db2.gz NYJPBTMMSRDTTA-PMXLAWOHSA-N -1 0 323.353 -0.334 20 0 DBADRM CCC[C@](C)(CO)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590543856 1021517861 /nfs/dbraw/zinc/51/78/61/1021517861.db2.gz VPVPCNGPEJTULM-GFCCVEGCSA-N -1 0 323.361 -0.692 20 0 DBADRM CCCCNC(=O)NC(=O)Cn1cncc(-c2nnn[n-]2)c1=O ZINC001590604741 1021524800 /nfs/dbraw/zinc/52/48/00/1021524800.db2.gz VBGCPUHBHOEUNR-UHFFFAOYSA-N -1 0 320.313 -0.951 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N2CCSC[C@H]2C(=O)[O-])n1 ZINC001590609700 1021529210 /nfs/dbraw/zinc/52/92/10/1021529210.db2.gz ORKIRLPTQCJDFQ-QMMMGPOBSA-N -1 0 313.383 -0.001 20 0 DBADRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC001590642612 1021533274 /nfs/dbraw/zinc/53/32/74/1021533274.db2.gz IERGEUYKFXKURI-UHFFFAOYSA-N -1 0 301.324 -0.288 20 0 DBADRM CCCn1nccc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590665172 1021533409 /nfs/dbraw/zinc/53/34/09/1021533409.db2.gz PISIJRSPUPHHMQ-UHFFFAOYSA-N -1 0 316.329 -0.505 20 0 DBADRM CC(C)(CC(N)=O)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001590654504 1021536981 /nfs/dbraw/zinc/53/69/81/1021536981.db2.gz NLXMOBGMGCGPKI-UHFFFAOYSA-N -1 0 301.324 -0.288 20 0 DBADRM CCN(CC1CCC1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001590691615 1021539207 /nfs/dbraw/zinc/53/92/07/1021539207.db2.gz XFTMXABUSZWBPK-UHFFFAOYSA-N -1 0 319.369 -0.110 20 0 DBADRM CCN(CCC1CC1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001590692267 1021540137 /nfs/dbraw/zinc/54/01/37/1021540137.db2.gz KSMSDSDOFGRGHP-UHFFFAOYSA-N -1 0 319.369 -0.110 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001590680204 1021541661 /nfs/dbraw/zinc/54/16/61/1021541661.db2.gz AQKLCXBWDFAMJX-UHFFFAOYSA-N -1 0 311.323 -0.038 20 0 DBADRM CCN(CC)C(=O)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590683774 1021543477 /nfs/dbraw/zinc/54/34/77/1021543477.db2.gz BXNOHFGPRMYXKX-MRVPVSSYSA-N -1 0 321.345 -0.996 20 0 DBADRM CC(C)(CCS(=O)(=O)N1CC[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC001590694349 1021544497 /nfs/dbraw/zinc/54/44/97/1021544497.db2.gz KQHJCWTXVMTIMA-MRVPVSSYSA-N -1 0 313.397 -0.312 20 0 DBADRM CC(C)(CNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)CC(F)F ZINC001590702779 1021552794 /nfs/dbraw/zinc/55/27/94/1021552794.db2.gz QMLGTWKPQHESTO-UHFFFAOYSA-N -1 0 308.281 -0.558 20 0 DBADRM CC(C)(CNC(=O)NC[C@H]1C[C@H]1C(=O)[O-])CS(N)(=O)=O ZINC001590726527 1021553257 /nfs/dbraw/zinc/55/32/57/1021553257.db2.gz VNFDGNCOHKWEIL-HTQZYQBOSA-N -1 0 307.372 -0.679 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)CC(=O)[O-] ZINC001590718106 1021557854 /nfs/dbraw/zinc/55/78/54/1021557854.db2.gz MSVMWKCFSIPZOU-UWVGGRQHSA-N -1 0 313.354 -0.214 20 0 DBADRM CCNC(=O)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590742781 1021565946 /nfs/dbraw/zinc/56/59/46/1021565946.db2.gz YMOXJQSNHXKWCU-MRVPVSSYSA-N -1 0 303.330 -0.706 20 0 DBADRM CC(C)(CNC(N)=O)NS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001590757772 1021568885 /nfs/dbraw/zinc/56/88/85/1021568885.db2.gz UOLXAAQXCWCTLY-UHFFFAOYSA-N -1 0 321.399 -0.002 20 0 DBADRM CCOC(=O)[C@H](C)COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590750689 1021572083 /nfs/dbraw/zinc/57/20/83/1021572083.db2.gz LSQJIXFKYHMKET-SFYZADRCSA-N -1 0 323.313 -0.238 20 0 DBADRM CCOC(=O)CNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001590765011 1021574171 /nfs/dbraw/zinc/57/41/71/1021574171.db2.gz NNPAXPXOBPPBHO-UHFFFAOYSA-N -1 0 306.282 -0.431 20 0 DBADRM CCOC(=O)Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C2CC2)c1=O ZINC001590766123 1021574684 /nfs/dbraw/zinc/57/46/84/1021574684.db2.gz OHDUIZRPXWNQMQ-UHFFFAOYSA-N -1 0 320.309 -0.603 20 0 DBADRM CC(=O)N1CCC[C@H](N(CCO)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001520064831 1021580486 /nfs/dbraw/zinc/58/04/86/1021580486.db2.gz WTIXENXLPXTAGM-NSHDSACASA-N -1 0 310.354 -0.131 20 0 DBADRM CCOCC(=O)NCCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001590799082 1021582818 /nfs/dbraw/zinc/58/28/18/1021582818.db2.gz KGCSBTDVDDGTKP-UHFFFAOYSA-N -1 0 306.330 -0.967 20 0 DBADRM CCO[C@H](Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C)c1=O)C1CC1 ZINC001590785513 1021584469 /nfs/dbraw/zinc/58/44/69/1021584469.db2.gz QMAIOVMFMNATQW-SNVBAGLBSA-N -1 0 320.353 -0.149 20 0 DBADRM CC(C)(CO)N1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC001590783604 1021584991 /nfs/dbraw/zinc/58/49/91/1021584991.db2.gz NVYORZNOCPLTIS-UHFFFAOYSA-N -1 0 310.354 -0.504 20 0 DBADRM CCOCC(=O)NC/C=C/CNc1ccnc(-c2nnn[n-]2)n1 ZINC001590799089 1021585563 /nfs/dbraw/zinc/58/55/63/1021585563.db2.gz LOHHGRAZHPUNCZ-ONEGZZNKSA-N -1 0 318.341 -0.801 20 0 DBADRM CC(C)(CS(=O)(=O)NCCCn1cc(CO)nn1)C(=O)[O-] ZINC001590803702 1021586443 /nfs/dbraw/zinc/58/64/43/1021586443.db2.gz PGPBZKGTDQZXGL-UHFFFAOYSA-N -1 0 320.371 -0.809 20 0 DBADRM CCOC[C@@H]1CN(Cn2cccc(-c3nnn[n-]3)c2=O)CCO1 ZINC001590801514 1021589227 /nfs/dbraw/zinc/58/92/27/1021589227.db2.gz OHTJKKRIZRXIIQ-NSHDSACASA-N -1 0 320.353 -0.277 20 0 DBADRM CC(C)(CS(=O)(=O)N[C@H]1CCc2nnnn2CC1)C(=O)[O-] ZINC001590802728 1021590209 /nfs/dbraw/zinc/59/02/09/1021590209.db2.gz FMHHIWDAFSDHHN-QMMMGPOBSA-N -1 0 317.371 -0.592 20 0 DBADRM CC(C)(CS(=O)(=O)NC[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001590802579 1021591020 /nfs/dbraw/zinc/59/10/20/1021591020.db2.gz DLUQTBIICGKHBD-MRVPVSSYSA-N -1 0 313.397 -0.549 20 0 DBADRM C/C(=C/C(=O)N1CC[C@@H](c2nnn[n-]2)C1)CN1CCOCC1 ZINC001520461017 1021592547 /nfs/dbraw/zinc/59/25/47/1021592547.db2.gz SWJLPFWXJJEHDV-NXIHDVOMSA-N -1 0 306.370 -0.206 20 0 DBADRM CC(C)(NC(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1)C(=O)[O-] ZINC001590835904 1021593116 /nfs/dbraw/zinc/59/31/16/1021593116.db2.gz DCLMNPOFVLXDKH-SECBINFHSA-N -1 0 324.337 -0.163 20 0 DBADRM CC(C)(F)CNC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001590833873 1021593380 /nfs/dbraw/zinc/59/33/80/1021593380.db2.gz QIZSHDWDXMXJOW-VIFPVBQESA-N -1 0 304.318 -0.465 20 0 DBADRM C/C(=C/C(=O)N1CC[C@H](c2nnn[n-]2)C1)CN1CCOCC1 ZINC001520461015 1021593328 /nfs/dbraw/zinc/59/33/28/1021593328.db2.gz SWJLPFWXJJEHDV-KGTBHZDVSA-N -1 0 306.370 -0.206 20 0 DBADRM CC(C)(F)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001590826318 1021594794 /nfs/dbraw/zinc/59/47/94/1021594794.db2.gz CFOKADAOZXZCFY-HTQZYQBOSA-N -1 0 302.302 -0.855 20 0 DBADRM CC(C)(Cc1cn(C[C@H](O)CN2CCOCC2)nn1)C(=O)[O-] ZINC001590827521 1021595424 /nfs/dbraw/zinc/59/54/24/1021595424.db2.gz SHBYYPCMYBNHTQ-GFCCVEGCSA-N -1 0 312.370 -0.376 20 0 DBADRM CC(C)(NC(=O)CN1CCOCC1=O)c1cc(C(=O)[O-])on1 ZINC001590844474 1021595453 /nfs/dbraw/zinc/59/54/53/1021595453.db2.gz DXORQITVVZBWNR-UHFFFAOYSA-N -1 0 311.294 -0.417 20 0 DBADRM CC(C)(F)C(=O)NC1(CCO)CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001590827532 1021595745 /nfs/dbraw/zinc/59/57/45/1021595745.db2.gz ZRZHLODWNZWURI-DTWKUNHWSA-N -1 0 316.329 -0.465 20 0 DBADRM CC(C)(F)C(=O)NCCN(CCO)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001590827120 1021596572 /nfs/dbraw/zinc/59/65/72/1021596572.db2.gz PXNNDRYURUGBPE-IUCAKERBSA-N -1 0 304.318 -0.608 20 0 DBADRM CC[C@H](O)CNS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001590868877 1021599284 /nfs/dbraw/zinc/59/92/84/1021599284.db2.gz NIVQZLCMQRSLKQ-LURJTMIESA-N -1 0 303.369 -0.023 20 0 DBADRM CC[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001590867438 1021600035 /nfs/dbraw/zinc/60/00/35/1021600035.db2.gz BPFZHXWOTMWKIC-YFKPBYRVSA-N -1 0 304.236 -0.085 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCO[C@@H](C(C)(C)C)CC1 ZINC001520682493 1021602604 /nfs/dbraw/zinc/60/26/04/1021602604.db2.gz DBLKRQZSVUHLLW-SNVBAGLBSA-N -1 0 312.374 -0.008 20 0 DBADRM CC(C)(O)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001590893739 1021603665 /nfs/dbraw/zinc/60/36/65/1021603665.db2.gz PGRUWQCJEZBPLA-NAKRPEOUSA-N -1 0 312.366 -0.121 20 0 DBADRM CCc1cc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n(C)n1 ZINC001590882772 1021604618 /nfs/dbraw/zinc/60/46/18/1021604618.db2.gz OKBWUGQWVBQYJV-SSDOTTSWSA-N -1 0 316.329 -0.046 20 0 DBADRM CC(C)(O)CC(=O)NC[C@@H](CO)Nc1ncc(C(=O)[O-])cn1 ZINC001590893589 1021606338 /nfs/dbraw/zinc/60/63/38/1021606338.db2.gz LNWQJHQHZSZYHH-VIFPVBQESA-N -1 0 312.326 -0.775 20 0 DBADRM CC(C)(O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001590893564 1021607349 /nfs/dbraw/zinc/60/73/49/1021607349.db2.gz KKELJWHEIWGHED-ZETCQYMHSA-N -1 0 303.340 -0.111 20 0 DBADRM CC(C)(O)CCNC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001590898151 1021607405 /nfs/dbraw/zinc/60/74/05/1021607405.db2.gz GOKAUJXQJVBMPB-CQSZACIVSA-N -1 0 300.355 -0.023 20 0 DBADRM CC(C)C(=O)N1CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)CC1 ZINC001590935785 1021608928 /nfs/dbraw/zinc/60/89/28/1021608928.db2.gz QOUIPBZXQMQKHQ-GFCCVEGCSA-N -1 0 311.382 -0.138 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001590933822 1021609582 /nfs/dbraw/zinc/60/95/82/1021609582.db2.gz XQNKGPONDUHBGI-IJLUTSLNSA-N -1 0 312.366 -0.073 20 0 DBADRM CC(C)C(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)C1 ZINC001590931327 1021612338 /nfs/dbraw/zinc/61/23/38/1021612338.db2.gz FMMZDQHBPMORTR-OLZOCXBDSA-N -1 0 323.393 -0.282 20 0 DBADRM CCc1nn(CC(=O)N(C)C)c(=O)c(-c2nnn[n-]2)c1CC ZINC001590929434 1021612681 /nfs/dbraw/zinc/61/26/81/1021612681.db2.gz QLHZLALBXIRELB-UHFFFAOYSA-N -1 0 305.342 -0.364 20 0 DBADRM CCc1nnc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)s1 ZINC001590930641 1021613237 /nfs/dbraw/zinc/61/32/37/1021613237.db2.gz HJOOVDSAOYSLBJ-UHFFFAOYSA-N -1 0 306.311 -0.409 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001590939459 1021614697 /nfs/dbraw/zinc/61/46/97/1021614697.db2.gz VMFMZMSXEBUJHR-OLZOCXBDSA-N -1 0 322.361 -0.068 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)NC(C)(C)C)c1=O ZINC001590950185 1021615305 /nfs/dbraw/zinc/61/53/05/1021615305.db2.gz VHKTWKLFBYGBBR-UHFFFAOYSA-N -1 0 321.341 -0.875 20 0 DBADRM COCC1(CCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1 ZINC001521164456 1021615347 /nfs/dbraw/zinc/61/53/47/1021615347.db2.gz IRUYZURDZRTPCU-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2CC[C@@H](C)O2)c1=O ZINC001590950089 1021618015 /nfs/dbraw/zinc/61/80/15/1021618015.db2.gz QKIAANVRSGTBBF-BDAKNGLRSA-N -1 0 306.326 -0.223 20 0 DBADRM CC(C)[C@](C)(CO)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001590968317 1021620505 /nfs/dbraw/zinc/62/05/05/1021620505.db2.gz PALQXBQOEVEVJY-RVBZMBCESA-N -1 0 303.359 -0.330 20 0 DBADRM CC(C)[C@@H](CCN(C)C(=O)C(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001590981180 1021621373 /nfs/dbraw/zinc/62/13/73/1021621373.db2.gz QHJWKQYAHRZAOM-SNVBAGLBSA-N -1 0 323.353 -0.055 20 0 DBADRM CC(C)[C@H](CCO)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001590980444 1021622478 /nfs/dbraw/zinc/62/24/78/1021622478.db2.gz DNPZSGANNURTHR-QWRGUYRKSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@](C)(NS(=O)(=O)c1cccnc1C(=O)[O-])C(N)=O ZINC001590967505 1021622757 /nfs/dbraw/zinc/62/27/57/1021622757.db2.gz XXECZLYZBCQMCE-LBPRGKRZSA-N -1 0 315.351 -0.042 20 0 DBADRM CN(C)C(=O)CNC(=S)NN=c1ccc(-c2nnn[n-]2)c[nH]1 ZINC001591000767 1021625235 /nfs/dbraw/zinc/62/52/35/1021625235.db2.gz GPSPZJADKJGRHW-UHFFFAOYSA-N -1 0 321.370 -0.859 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CC(O)(C(=O)[O-])C1)N1CCOCC1 ZINC001590983051 1021626103 /nfs/dbraw/zinc/62/61/03/1021626103.db2.gz CESDTPYTEASDHX-LLVKDONJSA-N -1 0 315.370 -0.816 20 0 DBADRM O=C(CN1C(=O)CCC1=O)N1CC(CNC(=O)C(F)(F)F)C1 ZINC001521708521 1021663575 /nfs/dbraw/zinc/66/35/75/1021663575.db2.gz OZPNNOTZZYCHKW-UHFFFAOYSA-N -1 0 321.255 -0.728 20 0 DBADRM CCN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C(C)C ZINC001523915426 1022151382 /nfs/dbraw/zinc/15/13/82/1022151382.db2.gz RSHRBJYADRTADO-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM CC/C=C(/C)C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001524212913 1022214002 /nfs/dbraw/zinc/21/40/02/1022214002.db2.gz NFCVPMCAXJXLIG-ZUYFITGHSA-N -1 0 323.353 -0.237 20 0 DBADRM CC/C=C(\C)C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001524212912 1022215249 /nfs/dbraw/zinc/21/52/49/1022215249.db2.gz NFCVPMCAXJXLIG-WXLQGSQKSA-N -1 0 323.353 -0.237 20 0 DBADRM CCC(=O)NC[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001525597215 1022411556 /nfs/dbraw/zinc/41/15/56/1022411556.db2.gz HDVSHMXPYJXWSM-SECBINFHSA-N -1 0 311.342 -0.546 20 0 DBADRM CCC(=O)NC[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001525597221 1022413077 /nfs/dbraw/zinc/41/30/77/1022413077.db2.gz HDVSHMXPYJXWSM-VIFPVBQESA-N -1 0 311.342 -0.546 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@@H](C)n2cncn2)c1[O-] ZINC001526506405 1022512368 /nfs/dbraw/zinc/51/23/68/1022512368.db2.gz PBGIIDUHRFZJAT-IONNQARKSA-N -1 0 321.341 -0.489 20 0 DBADRM C[C@H](Cc1cn(C)nn1)NC(=O)c1c[n-]n2c1nccc2=O ZINC001558187372 1023956447 /nfs/dbraw/zinc/95/64/47/1023956447.db2.gz SKFJEVGZKLNDHH-MRVPVSSYSA-N -1 0 301.310 -0.488 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O ZINC001558637304 1023966182 /nfs/dbraw/zinc/96/61/82/1023966182.db2.gz PXBOSDJHGKEFBM-APPZFPTMSA-N -1 0 305.331 -0.946 20 0 DBADRM C[C@@H](NC(=O)Cn1nc2ccccn2c1=O)c1nn(C)cc1[O-] ZINC001558682693 1023969397 /nfs/dbraw/zinc/96/93/97/1023969397.db2.gz JRVASUGEDSPBCC-SECBINFHSA-N -1 0 316.321 -0.188 20 0 DBADRM C[C@@H](NC(=O)CCCN1C(=O)CN(C)C1=O)c1nn(C)cc1[O-] ZINC001558683202 1023969594 /nfs/dbraw/zinc/96/95/94/1023969594.db2.gz XSCIACNMSOLMFE-SECBINFHSA-N -1 0 323.353 -0.023 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001559004816 1023976340 /nfs/dbraw/zinc/97/63/40/1023976340.db2.gz CCZIVODVJVTNSI-UHFFFAOYSA-N -1 0 316.277 -0.206 20 0 DBADRM CN(CCS(N)(=O)=O)CC(=O)[N-]OCc1ccccc1 ZINC001560116854 1024005535 /nfs/dbraw/zinc/00/55/35/1024005535.db2.gz LLDNNKLPXNTHQZ-UHFFFAOYSA-N -1 0 301.368 -0.545 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC001562409684 1024019664 /nfs/dbraw/zinc/01/96/64/1024019664.db2.gz WFIATCSVQBTAPD-UHFFFAOYSA-N -1 0 316.339 -0.143 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1nncn1-c1ccccc1 ZINC001563527089 1024025836 /nfs/dbraw/zinc/02/58/36/1024025836.db2.gz QCSBYGFPTXUZPE-UHFFFAOYSA-N -1 0 304.310 -0.256 20 0 DBADRM CCNC(=O)c1cccc(CNC(=O)NCC(=O)[N-]OC)c1 ZINC001563556905 1024027966 /nfs/dbraw/zinc/02/79/66/1024027966.db2.gz POZMQLFQYPMLEV-UHFFFAOYSA-N -1 0 308.338 -0.087 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC1(S(C)(=O)=O)CCCCC1 ZINC001565079269 1024048058 /nfs/dbraw/zinc/04/80/58/1024048058.db2.gz FALLLAOFVPGXOR-UHFFFAOYSA-N -1 0 321.399 -0.289 20 0 DBADRM CN(CCCNC(=O)[C@]1(C)CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001566488371 1024208006 /nfs/dbraw/zinc/20/80/06/1024208006.db2.gz PNLPIMZFOPONEG-ZDUSSCGKSA-N -1 0 310.358 -0.883 20 0 DBADRM O=C(Cn1nnnc1-c1ccccc1)NCc1nc(=O)o[n-]1 ZINC001566718568 1024353168 /nfs/dbraw/zinc/35/31/68/1024353168.db2.gz TWBFFGTVLNLXJV-UHFFFAOYSA-N -1 0 301.266 -0.667 20 0 DBADRM CN(CCNC(=O)c1cc2ncccn2n1)Cc1n[nH]c(=O)[n-]1 ZINC001567310086 1024626314 /nfs/dbraw/zinc/62/63/14/1024626314.db2.gz CZEBTVRTZUWORL-UHFFFAOYSA-N -1 0 316.325 -0.585 20 0 DBADRM CCN(CCNC(=O)c1cc[n+]([O-])cc1)Cc1n[nH]c(=O)[n-]1 ZINC001567326697 1024632789 /nfs/dbraw/zinc/63/27/89/1024632789.db2.gz SBBVJHAZXRQWQM-UHFFFAOYSA-N -1 0 306.326 -0.604 20 0 DBADRM COC(=O)[C@@](C)(O)CNC(=O)CSc1n[n-]c(=S)s1 ZINC001567375326 1024652874 /nfs/dbraw/zinc/65/28/74/1024652874.db2.gz YZLZERBXXAINST-VIFPVBQESA-N -1 0 323.421 -0.041 20 0 DBADRM CCCN(CCNC(=O)C1(C(=O)NC)CC1)Cc1n[nH]c(=O)[n-]1 ZINC001567434732 1024693555 /nfs/dbraw/zinc/69/35/55/1024693555.db2.gz MUACZVMTUACISW-UHFFFAOYSA-N -1 0 324.385 -0.635 20 0 DBADRM Cc1nn(C)cc1CC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001568863799 1025054271 /nfs/dbraw/zinc/05/42/71/1025054271.db2.gz KAIDZJFSKZMTAR-ONEGZZNKSA-N -1 0 319.369 -0.443 20 0 DBADRM CCc1nn(C)cc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001568867740 1025058136 /nfs/dbraw/zinc/05/81/36/1025058136.db2.gz YEJMDVXMWHJXER-PLNGDYQASA-N -1 0 319.369 -0.118 20 0 DBADRM COc1cccnc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001568954984 1025095987 /nfs/dbraw/zinc/09/59/87/1025095987.db2.gz UXVOWZNYEDKLMI-IHWYPQMZSA-N -1 0 318.337 -0.010 20 0 DBADRM COc1cccnc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001568954985 1025097123 /nfs/dbraw/zinc/09/71/23/1025097123.db2.gz UXVOWZNYEDKLMI-NSCUHMNNSA-N -1 0 318.337 -0.010 20 0 DBADRM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001569023343 1025118207 /nfs/dbraw/zinc/11/82/07/1025118207.db2.gz VPDBDVUAKQLHMU-NXEZZACHSA-N -1 0 324.385 -0.637 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)[N-]OC(C)(C)CO ZINC001569244060 1025183115 /nfs/dbraw/zinc/18/31/15/1025183115.db2.gz YWASQUCDUNIOSE-ONGXEEELSA-N -1 0 302.371 -0.139 20 0 DBADRM CC(C)C[C@H](C(N)=O)C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001569387484 1025233062 /nfs/dbraw/zinc/23/30/62/1025233062.db2.gz NSYOVCSKPHKPBA-VHSXEESVSA-N -1 0 324.385 -0.652 20 0 DBADRM CC(C)[C@H](CO)ONC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001569508705 1025265766 /nfs/dbraw/zinc/26/57/66/1025265766.db2.gz HOOJWMRSFDZESX-NSHDSACASA-N -1 0 306.326 -0.247 20 0 DBADRM COC[C@](C)(CC(=O)OC)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001571080832 1025816312 /nfs/dbraw/zinc/81/63/12/1025816312.db2.gz WIOVAIKVBGYIIT-ZDMBXUJBSA-N -1 0 303.311 -0.297 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2CCC3(C2)OCCO3)CCO1 ZINC001571069455 1025808788 /nfs/dbraw/zinc/80/87/88/1025808788.db2.gz KWCHSFSRGFOXJP-NXEZZACHSA-N -1 0 300.311 -0.223 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(c2cnc(C(=O)[O-])cn2)C1 ZINC001571072156 1025808899 /nfs/dbraw/zinc/80/88/99/1025808899.db2.gz MTHLMTHPFONLIN-QMMMGPOBSA-N -1 0 300.340 -0.450 20 0 DBADRM NC(=O)c1ncc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)s1 ZINC001571070413 1025809595 /nfs/dbraw/zinc/80/95/95/1025809595.db2.gz ZWHVVBATZCERAJ-SNVBAGLBSA-N -1 0 300.296 -0.705 20 0 DBADRM O=C(C[C@H]1CCC(=O)NC1)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001571070208 1025809870 /nfs/dbraw/zinc/80/98/70/1025809870.db2.gz WNWOORNKZBMMLT-RKDXNWHRSA-N -1 0 300.311 -0.765 20 0 DBADRM C[C@@]1(NS(=O)(=O)c2cccnc2C(=O)[O-])CCOC1=O ZINC001571069148 1025809988 /nfs/dbraw/zinc/80/99/88/1025809988.db2.gz GJMBPLKPLBZPCS-LLVKDONJSA-N -1 0 300.292 -0.236 20 0 DBADRM C[C@]1(CO)CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C[C@@]1(C)CO ZINC001571073938 1025810408 /nfs/dbraw/zinc/81/04/08/1025810408.db2.gz BHVMQARFABOFLA-QOBDMFJFSA-N -1 0 301.339 -0.542 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@H](CCO)[C@H](CO)C2)O[C@H]1C(=O)[O-] ZINC001571074045 1025810475 /nfs/dbraw/zinc/81/04/75/1025810475.db2.gz FGQLAMOYYQRNOH-YBXAARCKSA-N -1 0 301.339 -0.686 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])O1 ZINC001571074026 1025810584 /nfs/dbraw/zinc/81/05/84/1025810584.db2.gz DVAJJXXCQSSCDJ-DOLQZWNJSA-N -1 0 301.295 -0.687 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@H](CO)c2cccnc2)C1 ZINC001571072267 1025810988 /nfs/dbraw/zinc/81/09/88/1025810988.db2.gz QSNAVFULZXTZGY-OUAUKWLOSA-N -1 0 300.336 -0.102 20 0 DBADRM O=C([O-])C1(NC(=O)Cc2cc[nH]n2)CCS(=O)(=O)CC1 ZINC001571074340 1025811248 /nfs/dbraw/zinc/81/12/48/1025811248.db2.gz HDTLNAXHCOBDBM-UHFFFAOYSA-N -1 0 301.324 -0.900 20 0 DBADRM CC[C@]1(O)CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001571074742 1025811276 /nfs/dbraw/zinc/81/12/76/1025811276.db2.gz QNEDHYKJKWSWED-RVBZMBCESA-N -1 0 301.343 -0.479 20 0 DBADRM C[C@@H](O)[C@H]1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001571074040 1025811619 /nfs/dbraw/zinc/81/16/19/1025811619.db2.gz CWFBHTAYMQECPV-QEYWKRMJSA-N -1 0 301.343 -0.624 20 0 DBADRM CS(=O)(=O)c1ccnc(NC[C@]2(C(=O)[O-])CCOC2)n1 ZINC001571074683 1025811711 /nfs/dbraw/zinc/81/17/11/1025811711.db2.gz NATQPCVOVCTBOM-LLVKDONJSA-N -1 0 301.324 -0.217 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)NC1(C(=O)[O-])CCC1 ZINC001571077298 1025812329 /nfs/dbraw/zinc/81/23/29/1025812329.db2.gz ZVJWVYRPAZWWBG-UHFFFAOYSA-N -1 0 302.308 -0.027 20 0 DBADRM Cn1cc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)cn1 ZINC001571075020 1025812567 /nfs/dbraw/zinc/81/25/67/1025812567.db2.gz SHANVWDBDOVKIF-UHFFFAOYSA-N -1 0 301.324 -0.818 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)c1cnc(C2OCCO2)s1 ZINC001571076410 1025812786 /nfs/dbraw/zinc/81/27/86/1025812786.db2.gz CISGASQSXZDGBX-LURJTMIESA-N -1 0 302.308 -0.246 20 0 DBADRM NC(=O)c1ccc(CNC(=O)Cn2ccc(C(=O)[O-])n2)cc1 ZINC001571076988 1025812883 /nfs/dbraw/zinc/81/28/83/1025812883.db2.gz QRXWTPVKQDEPCE-UHFFFAOYSA-N -1 0 302.290 -0.003 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCC2OCCCO2)cn1 ZINC001571077022 1025812948 /nfs/dbraw/zinc/81/29/48/1025812948.db2.gz RTRBPFSPXPENAM-UHFFFAOYSA-N -1 0 302.308 -0.179 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N[C@H]1CCCCNC1=O ZINC001571076835 1025813017 /nfs/dbraw/zinc/81/30/17/1025813017.db2.gz MVEGSVDHNMQRPL-QMMMGPOBSA-N -1 0 302.308 -0.075 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001571077007 1025813639 /nfs/dbraw/zinc/81/36/39/1025813639.db2.gz RLXUJCVPCJJMEK-LURJTMIESA-N -1 0 302.299 -0.508 20 0 DBADRM CC(C)OC(=O)CC[C@@H](C)NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001571077070 1025813651 /nfs/dbraw/zinc/81/36/51/1025813651.db2.gz SVSPJGJIMCOVPN-SECBINFHSA-N -1 0 302.327 -0.052 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NCc1ocnc1C(=O)[O-] ZINC001571084938 1025819397 /nfs/dbraw/zinc/81/93/97/1025819397.db2.gz RWRZZNMQPJBDIX-UHFFFAOYSA-N -1 0 305.312 -0.730 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)C[C@@H]2C=CS(=O)(=O)C2)CCOC1 ZINC001571079887 1025814247 /nfs/dbraw/zinc/81/42/47/1025814247.db2.gz MEBFOIDZEMGBAI-CABZTGNLSA-N -1 0 303.336 -0.458 20 0 DBADRM C[C@@]1(CO)CCCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001571080165 1025814952 /nfs/dbraw/zinc/81/49/52/1025814952.db2.gz NOLHBSVRNGKTFX-LLVKDONJSA-N -1 0 303.340 -0.109 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2CCO)n[nH]1 ZINC001571079582 1025815023 /nfs/dbraw/zinc/81/50/23/1025815023.db2.gz ICAILUKAKCMNOB-HTQZYQBOSA-N -1 0 303.340 -0.063 20 0 DBADRM COC(=O)COCC(=O)N(C)[C@@H](COC1CCC1)C(=O)[O-] ZINC001571079325 1025815034 /nfs/dbraw/zinc/81/50/34/1025815034.db2.gz DKUGPDZBMSFBGM-JTQLQIEISA-N -1 0 303.311 -0.343 20 0 DBADRM NS(=O)(=O)C1(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC001571079628 1025815181 /nfs/dbraw/zinc/81/51/81/1025815181.db2.gz LFWXGGAFBOQYSL-DTWKUNHWSA-N -1 0 302.352 -0.623 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C[C@@H]2C=CS(=O)(=O)C2)C1 ZINC001571080219 1025815296 /nfs/dbraw/zinc/81/52/96/1025815296.db2.gz OMWDXWDADXKEIX-CABZTGNLSA-N -1 0 303.336 -0.363 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC001571079376 1025815383 /nfs/dbraw/zinc/81/53/83/1025815383.db2.gz IXYJFZXGEDJABX-NTSWFWBYSA-N -1 0 303.258 -0.200 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H](CO)CC2CC2)n[nH]1 ZINC001571080197 1025815403 /nfs/dbraw/zinc/81/54/03/1025815403.db2.gz OIHVCUZOBRYDQL-MRVPVSSYSA-N -1 0 303.340 -0.205 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2CCO)n[nH]1 ZINC001571079583 1025815489 /nfs/dbraw/zinc/81/54/89/1025815489.db2.gz ICAILUKAKCMNOB-JGVFFNPUSA-N -1 0 303.340 -0.063 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C[C@H]2C=CS(=O)(=O)C2)C1 ZINC001571080217 1025815663 /nfs/dbraw/zinc/81/56/63/1025815663.db2.gz OMWDXWDADXKEIX-BXKDBHETSA-N -1 0 303.336 -0.363 20 0 DBADRM C[C@@]1(CC(=O)Nc2cc(C(=O)[O-])no2)CCS(=O)(=O)N1 ZINC001571080854 1025817840 /nfs/dbraw/zinc/81/78/40/1025817840.db2.gz XFNYMJFTDUWIAT-JTQLQIEISA-N -1 0 303.296 -0.217 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cc3c(=O)[nH]cnc3cn2)C1 ZINC001571084728 1025818602 /nfs/dbraw/zinc/81/86/02/1025818602.db2.gz HRPGMDNIYSNUAI-ZDUSSCGKSA-N -1 0 304.262 -0.608 20 0 DBADRM CCOC(=O)[C@@H](C)CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571085088 1025818719 /nfs/dbraw/zinc/81/87/19/1025818719.db2.gz TYLHJBHGFFTADJ-LURJTMIESA-N -1 0 305.312 -0.415 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001571086509 1025821129 /nfs/dbraw/zinc/82/11/29/1025821129.db2.gz QNYJSDRZJZKQNE-LNLATYFQSA-N -1 0 304.368 -0.220 20 0 DBADRM Cc1ccnc2nc(C(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)nn21 ZINC001571085227 1025818804 /nfs/dbraw/zinc/81/88/04/1025818804.db2.gz WPNHOBCSFLZZHP-BDAKNGLRSA-N -1 0 305.294 -0.253 20 0 DBADRM CCOC(=O)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571085340 1025818952 /nfs/dbraw/zinc/81/89/52/1025818952.db2.gz ZRWJJVOOWODYCF-UHFFFAOYSA-N -1 0 305.312 -0.318 20 0 DBADRM Cc1[nH]c(CNCc2nnc3n2CCNC3=O)cc1C(=O)[O-] ZINC001571084680 1025819018 /nfs/dbraw/zinc/81/90/18/1025819018.db2.gz FQJBBGNXQUNDQR-UHFFFAOYSA-N -1 0 304.310 -0.354 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cn(C(F)(F)CO)nn1 ZINC001571085375 1025819073 /nfs/dbraw/zinc/81/90/73/1025819073.db2.gz OMOXKZDIKYTIET-RQJHMYQMSA-N -1 0 304.253 -0.197 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCn2ccc(=O)[nH]c2=O)ccn1 ZINC001571084954 1025819184 /nfs/dbraw/zinc/81/91/84/1025819184.db2.gz IMPAMDQCIANOQO-UHFFFAOYSA-N -1 0 304.262 -0.528 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC001571085568 1025819289 /nfs/dbraw/zinc/81/92/89/1025819289.db2.gz RBAPKCCTVHRKGP-SQXHDICFSA-N -1 0 304.306 -0.683 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC001571085565 1025819489 /nfs/dbraw/zinc/81/94/89/1025819489.db2.gz RBAPKCCTVHRKGP-RXKWGBCNSA-N -1 0 304.306 -0.683 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001571085486 1025819509 /nfs/dbraw/zinc/81/95/09/1025819509.db2.gz PWMQFTARQPSXAY-JLPJYYFKSA-N -1 0 304.324 -0.227 20 0 DBADRM Cc1nocc1S(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001571085440 1025819814 /nfs/dbraw/zinc/81/98/14/1025819814.db2.gz PDTSTRDOPSSMNP-JTQLQIEISA-N -1 0 304.324 -0.171 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)Cn1nc(C(N)=O)ccc1=O ZINC001571086016 1025820749 /nfs/dbraw/zinc/82/07/49/1025820749.db2.gz VQQMHPOBJUPZNC-UHFFFAOYSA-N -1 0 304.262 -0.440 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cnn2c1CCCC2 ZINC001571085953 1025820999 /nfs/dbraw/zinc/82/09/99/1025820999.db2.gz UNXLSQCEFSXPAL-SNVBAGLBSA-N -1 0 304.310 -0.306 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1ccsc1 ZINC001571086337 1025821200 /nfs/dbraw/zinc/82/12/00/1025821200.db2.gz KIZJCSMVRWJFGC-SFYZADRCSA-N -1 0 304.349 -0.318 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001571085910 1025821557 /nfs/dbraw/zinc/82/15/57/1025821557.db2.gz DSQWSRVERQVOTO-PTRXPTGYSA-N -1 0 304.368 -0.074 20 0 DBADRM NS(=O)(=O)c1sccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001571086267 1025821605 /nfs/dbraw/zinc/82/16/05/1025821605.db2.gz IWKCJHGVQLWZNC-OLQVQODUSA-N -1 0 304.349 -0.012 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCn2ccnc2C1 ZINC001571091257 1025822421 /nfs/dbraw/zinc/82/24/21/1025822421.db2.gz CGDHHBIDBCVZJN-NXEZZACHSA-N -1 0 306.322 -0.753 20 0 DBADRM CO[C@@H]1C[C@H]1C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001571087710 1025822578 /nfs/dbraw/zinc/82/25/78/1025822578.db2.gz KRAVSTWQEJWZEH-RKDXNWHRSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCN1CCOC1=O ZINC001571091247 1025822720 /nfs/dbraw/zinc/82/27/20/1025822720.db2.gz CCPGZJZTGGVQJY-BDAKNGLRSA-N -1 0 306.340 -0.437 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@@H](O)C1CCC1)C(=O)[O-] ZINC001571087541 1025822977 /nfs/dbraw/zinc/82/29/77/1025822977.db2.gz DJAJULMZKPAUDY-HOTUBEGUSA-N -1 0 305.352 -0.849 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001571088469 1025823267 /nfs/dbraw/zinc/82/32/67/1025823267.db2.gz ZJCKWCMDGOLZQK-VHSXEESVSA-N -1 0 305.352 -0.583 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)C2CCS(=O)(=O)CC2)CCOC1 ZINC001571087634 1025823531 /nfs/dbraw/zinc/82/35/31/1025823531.db2.gz HPXQQRFLWUQDKY-GFCCVEGCSA-N -1 0 305.352 -0.439 20 0 DBADRM CC1=C(C(=O)N2CCC[C@@H]2CC(=O)[O-])Cn2nnnc2N1C ZINC001571092926 1025824709 /nfs/dbraw/zinc/82/47/09/1025824709.db2.gz ZJJMEDWZPUMGOB-SECBINFHSA-N -1 0 306.326 -0.137 20 0 DBADRM CCN1C[C@@H](CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])OC1=O ZINC001571092366 1025824985 /nfs/dbraw/zinc/82/49/85/1025824985.db2.gz SHJMXXSJAREBDL-IUCAKERBSA-N -1 0 306.340 -0.989 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)[C@H]2C[C@H]21 ZINC001571091385 1025825028 /nfs/dbraw/zinc/82/50/28/1025825028.db2.gz DXXJFVQBJBRULO-SPFKKGSWSA-N -1 0 306.322 -0.229 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001571092144 1025825296 /nfs/dbraw/zinc/82/52/96/1025825296.db2.gz OWYSIIVIRRXXQL-XKNYDFJKSA-N -1 0 306.322 -0.184 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncc(F)cn3)C[C@H]21 ZINC001571092569 1025825436 /nfs/dbraw/zinc/82/54/36/1025825436.db2.gz SVWVLKTWBXKZLF-LADJIXMOSA-N -1 0 306.297 -0.113 20 0 DBADRM CCOC(=O)N1CSC[C@H]1C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001571091898 1025825524 /nfs/dbraw/zinc/82/55/24/1025825524.db2.gz LHEBLUCYPIOJKR-YUMQZZPRSA-N -1 0 306.340 -0.530 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001571093116 1025825582 /nfs/dbraw/zinc/82/55/82/1025825582.db2.gz AHPJFYQWJYFIHG-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM CNS(=O)(=O)NCC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001571095955 1025826571 /nfs/dbraw/zinc/82/65/71/1025826571.db2.gz FGKYVQHNQZEZFZ-SECBINFHSA-N -1 0 307.372 -0.856 20 0 DBADRM CC1=C(C(=O)N2CCN(C(=O)[O-])CC2)Cn2nnnc2N1C ZINC001571095622 1025827097 /nfs/dbraw/zinc/82/70/97/1025827097.db2.gz AUIBVFUWVMHASU-UHFFFAOYSA-N -1 0 307.314 -0.781 20 0 DBADRM NS(=O)(=O)c1ccc(CN2CC[C@@](O)(C(=O)[O-])C2)s1 ZINC001571093470 1025827386 /nfs/dbraw/zinc/82/73/86/1025827386.db2.gz NCTIPJPGHQAXCP-JTQLQIEISA-N -1 0 306.365 -0.583 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)CNC(=O)c2cccc(O)c2)C1 ZINC001571096671 1025828220 /nfs/dbraw/zinc/82/82/20/1025828220.db2.gz QKJYPNQRDZRRLW-JTQLQIEISA-N -1 0 307.306 -0.010 20 0 DBADRM Cc1nnccc1NC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001571096676 1025828335 /nfs/dbraw/zinc/82/83/35/1025828335.db2.gz QPVMGDZFGQRANB-SNVBAGLBSA-N -1 0 307.310 -0.018 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)NCc1nnc2c(=O)n(C)ccn12 ZINC001571096283 1025828500 /nfs/dbraw/zinc/82/85/00/1025828500.db2.gz KZCYLOGVKGHSEW-MRVPVSSYSA-N -1 0 307.310 -0.455 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N(C)Cc1nnc2c(=O)[nH]ccn12 ZINC001571096364 1025828587 /nfs/dbraw/zinc/82/85/87/1025828587.db2.gz MVJJYVJDFKPOJP-QMMMGPOBSA-N -1 0 307.310 -0.123 20 0 DBADRM CC1(C)CNC(=O)[C@@H]1NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001571096316 1025829073 /nfs/dbraw/zinc/82/90/73/1025829073.db2.gz LQSXKPMHLYCRNI-JTQLQIEISA-N -1 0 307.306 -0.813 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001571096503 1025829151 /nfs/dbraw/zinc/82/91/51/1025829151.db2.gz LQBMTOCJAFWASK-MWGHHZFTSA-N -1 0 307.368 -0.301 20 0 DBADRM O=C([O-])c1csc(S(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)c1 ZINC001571096218 1025829386 /nfs/dbraw/zinc/82/93/86/1025829386.db2.gz IBABVWZQQPVKFP-SFYZADRCSA-N -1 0 307.349 -0.438 20 0 DBADRM C[C@H](C(=O)N[C@]1(CC(=O)[O-])CCOC1)[C@H](C)S(C)(=O)=O ZINC001571096526 1025829545 /nfs/dbraw/zinc/82/95/45/1025829545.db2.gz MMETWHFMJDYTRH-AUTRQRHGSA-N -1 0 307.368 -0.194 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H](CO)c1nncn1C ZINC001571098788 1025830080 /nfs/dbraw/zinc/83/00/80/1025830080.db2.gz ZIKRIVKHJAEUTE-QMMMGPOBSA-N -1 0 308.294 -0.193 20 0 DBADRM COCC[C@H](NC(=O)c1cc2c(=O)[nH]c(C)cn2n1)C(=O)[O-] ZINC001571098180 1025830352 /nfs/dbraw/zinc/83/03/52/1025830352.db2.gz OARIGQNGURWTKS-QMMMGPOBSA-N -1 0 308.294 -0.449 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2c[nH]cc(C)c2=O)C[C@@H]1C(=O)[O-] ZINC001571098080 1025830451 /nfs/dbraw/zinc/83/04/51/1025830451.db2.gz LUDGXLVSCMVKMY-UWVGGRQHSA-N -1 0 308.290 -0.371 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](O)c2cccnc2)C[C@@H]1C(=O)[O-] ZINC001571098429 1025830476 /nfs/dbraw/zinc/83/04/76/1025830476.db2.gz SLVSWFSVXPCHSX-AXFHLTTASA-N -1 0 308.290 -0.553 20 0 DBADRM CC(C)CN(CCC(=O)[O-])S(=O)(=O)N1CCN(C)CC1 ZINC001571097902 1025830528 /nfs/dbraw/zinc/83/05/28/1025830528.db2.gz HBTYXDMXCIAIBH-UHFFFAOYSA-N -1 0 307.416 -0.089 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001571098597 1025831231 /nfs/dbraw/zinc/83/12/31/1025831231.db2.gz VTNDZSVLHARFAS-JBDRJPRFSA-N -1 0 308.294 -0.524 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1C(=O)[O-] ZINC001571101148 1025831944 /nfs/dbraw/zinc/83/19/44/1025831944.db2.gz VUCWSIAVRLFMJN-HTQZYQBOSA-N -1 0 309.278 -0.941 20 0 DBADRM Cn1cncc1CC(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-] ZINC001571100379 1025832058 /nfs/dbraw/zinc/83/20/58/1025832058.db2.gz HFPSMOBQRMTUIC-UHFFFAOYSA-N -1 0 309.282 -0.606 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001571101087 1025832105 /nfs/dbraw/zinc/83/21/05/1025832105.db2.gz UPGJEJNAIJVOML-UHFFFAOYSA-N -1 0 309.278 -0.205 20 0 DBADRM Cn1nnc(C(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])n1 ZINC001571100300 1025832301 /nfs/dbraw/zinc/83/23/01/1025832301.db2.gz DPOGPSCAPFSGFS-SECBINFHSA-N -1 0 309.257 -0.389 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[C@@H]1COc2ccc(O)cc2O1 ZINC001571101052 1025832574 /nfs/dbraw/zinc/83/25/74/1025832574.db2.gz UHFATHZROHXPAJ-LNLATYFQSA-N -1 0 309.274 -0.422 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)NC1(C)CN(C(=O)[O-])C1 ZINC001571100354 1025832817 /nfs/dbraw/zinc/83/28/17/1025832817.db2.gz GBLQABJXVZLZOY-CQSZACIVSA-N -1 0 309.322 -0.532 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N2CC[C@@H](O)[C@H](CO)C2)c1 ZINC001571101143 1025832861 /nfs/dbraw/zinc/83/28/61/1025832861.db2.gz VOTGLZHOWUCHJL-WCQYABFASA-N -1 0 309.318 -0.035 20 0 DBADRM Cn1nnc(C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])n1 ZINC001571100301 1025833266 /nfs/dbraw/zinc/83/32/66/1025833266.db2.gz DPOGPSCAPFSGFS-VIFPVBQESA-N -1 0 309.257 -0.389 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)C2=CCOCC2)C1 ZINC001571103257 1025833722 /nfs/dbraw/zinc/83/37/22/1025833722.db2.gz UPLPLLCFVBLJTO-WRWGMCAJSA-N -1 0 308.334 -0.183 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001571102728 1025833928 /nfs/dbraw/zinc/83/39/28/1025833928.db2.gz QLAJWNZDKRWAAN-QMMMGPOBSA-N -1 0 309.340 -0.856 20 0 DBADRM Cc1c(CC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cnn1C ZINC001571103243 1025833940 /nfs/dbraw/zinc/83/39/40/1025833940.db2.gz UOICDRDDVJYNSA-NSHDSACASA-N -1 0 308.338 -0.537 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001571102288 1025833994 /nfs/dbraw/zinc/83/39/94/1025833994.db2.gz LUSDYKXRJTWKGB-BDAKNGLRSA-N -1 0 309.326 -0.719 20 0 DBADRM CCc1c(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])cnn1CC ZINC001571103458 1025834123 /nfs/dbraw/zinc/83/41/23/1025834123.db2.gz VXTYKFJVSKQXQB-NSHDSACASA-N -1 0 308.338 -0.167 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1)C(=O)[O-] ZINC001571103134 1025834366 /nfs/dbraw/zinc/83/43/66/1025834366.db2.gz XFZYGRGEXVXLIQ-UWVGGRQHSA-N -1 0 309.326 -0.858 20 0 DBADRM CN(CCCC(=O)NC[C@@]1(O)CCS(=O)(=O)C1)C(=O)[O-] ZINC001571102932 1025834431 /nfs/dbraw/zinc/83/44/31/1025834431.db2.gz RHXZXBINOPTACJ-NSHDSACASA-N -1 0 308.356 -0.958 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nn1 ZINC001571103475 1025834870 /nfs/dbraw/zinc/83/48/70/1025834870.db2.gz WPJLJYXWZQZLSQ-INTQDDNPSA-N -1 0 308.338 -0.099 20 0 DBADRM Cn1cc([C@H](O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cn1 ZINC001571103021 1025835014 /nfs/dbraw/zinc/83/50/14/1025835014.db2.gz WCHOTRPGYIOBCA-COPLHBTASA-N -1 0 309.322 -0.597 20 0 DBADRM CC(C)COC[C@H](O)CNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001571106492 1025835873 /nfs/dbraw/zinc/83/58/73/1025835873.db2.gz MTKWOEIWQRPPEV-SNVBAGLBSA-N -1 0 309.384 -0.053 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001571106298 1025836701 /nfs/dbraw/zinc/83/67/01/1025836701.db2.gz MMRMARZGJJGGGT-ATZCPNFKSA-N -1 0 310.310 -0.714 20 0 DBADRM O=C([O-])c1c(NC(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)nc2n1CCC2 ZINC001571105882 1025836938 /nfs/dbraw/zinc/83/69/38/1025836938.db2.gz DDMNKVRPCIDLJF-WHUPJOBBSA-N -1 0 310.310 -0.467 20 0 DBADRM CN(C)c1cccnc1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001571103532 1025836953 /nfs/dbraw/zinc/83/69/53/1025836953.db2.gz YYONAMGJKZQHHJ-UHFFFAOYSA-N -1 0 308.338 -0.142 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001571106621 1025837026 /nfs/dbraw/zinc/83/70/26/1025837026.db2.gz SXHWFYGELLZBRX-PELKAZGASA-N -1 0 310.306 -0.625 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2cc(C)n[nH]2)C[C@H]1C(=O)[O-] ZINC001571107123 1025837426 /nfs/dbraw/zinc/83/74/26/1025837426.db2.gz ZTGYDIJWJCEOJZ-ZJUUUORDSA-N -1 0 310.310 -0.267 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)c1cc(C(=O)[O-])[nH]c1C ZINC001571107276 1025837444 /nfs/dbraw/zinc/83/74/44/1025837444.db2.gz XVGMWWMXXVGQTE-KCJUWKMLSA-N -1 0 310.306 -0.188 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1nc(C(=O)[O-])co1 ZINC001571108582 1025837811 /nfs/dbraw/zinc/83/78/11/1025837811.db2.gz XFDJHGOESNTRCX-LHLIQPBNSA-N -1 0 311.294 -0.735 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1nc(C(=O)[O-])co1 ZINC001571108584 1025838664 /nfs/dbraw/zinc/83/86/64/1025838664.db2.gz XFDJHGOESNTRCX-WKEGUHRASA-N -1 0 311.294 -0.735 20 0 DBADRM COC(=O)c1cnoc1CN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001571108546 1025838892 /nfs/dbraw/zinc/83/88/92/1025838892.db2.gz WDQDUUJSKCYNFH-SECBINFHSA-N -1 0 311.294 -0.374 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C(=O)C2CC2)C1 ZINC001571110980 1025839326 /nfs/dbraw/zinc/83/93/26/1025839326.db2.gz BAWNFBDCFTXXTC-GHMZBOCLSA-N -1 0 311.338 -0.303 20 0 DBADRM NC(=O)Cc1occc1C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001571111852 1025839711 /nfs/dbraw/zinc/83/97/11/1025839711.db2.gz DDUZTMZHTSHOLF-MRVPVSSYSA-N -1 0 312.278 -0.747 20 0 DBADRM CNc1ncc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])s1 ZINC001571111884 1025839767 /nfs/dbraw/zinc/83/97/67/1025839767.db2.gz GAQADHPQUSQKIS-ZETCQYMHSA-N -1 0 312.351 -0.010 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H](CO)[C@H](O)c1cccnc1 ZINC001571111016 1025840237 /nfs/dbraw/zinc/84/02/37/1025840237.db2.gz CKONYPVQMRCINE-SDDRHHMPSA-N -1 0 311.338 -0.116 20 0 DBADRM Cn1cc(NC(=O)NC[C@]2(C(=O)[O-])CCOC2)c(C(N)=O)n1 ZINC001571111834 1025840367 /nfs/dbraw/zinc/84/03/67/1025840367.db2.gz SQGSBRMHXUWAJR-GFCCVEGCSA-N -1 0 311.298 -0.868 20 0 DBADRM CC(=O)OCC(C)(C)CC(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001571113313 1025841696 /nfs/dbraw/zinc/84/16/96/1025841696.db2.gz ZGGPLMRPVJGXJR-JTQLQIEISA-N -1 0 312.326 -0.173 20 0 DBADRM CNC(=O)Cc1noc(CN2C[C@H](OC)C[C@@]2(C)C(=O)[O-])n1 ZINC001571113197 1025841838 /nfs/dbraw/zinc/84/18/38/1025841838.db2.gz XCLFGPZEWDGADU-OQPBUACISA-N -1 0 312.326 -0.578 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC2CN(c3ccncn3)C2)CC1 ZINC001571113275 1025842388 /nfs/dbraw/zinc/84/23/88/1025842388.db2.gz YKAXQFRCHJKHNK-UHFFFAOYSA-N -1 0 312.351 -0.551 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cc(C(=O)OC(C)(C)C)n[nH]1)C(=O)[O-] ZINC001571118522 1025842955 /nfs/dbraw/zinc/84/29/55/1025842955.db2.gz FJENGKAGWWJHME-MUWHJKNJSA-N -1 0 313.310 -0.071 20 0 DBADRM Cn1cc(C(=O)CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])cn1 ZINC001571118891 1025842982 /nfs/dbraw/zinc/84/29/82/1025842982.db2.gz LNLKGPFMBWOLQK-UHFFFAOYSA-N -1 0 313.295 -0.997 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001571118503 1025843160 /nfs/dbraw/zinc/84/31/60/1025843160.db2.gz DMLOLWPCLPYXGT-RKDXNWHRSA-N -1 0 313.310 -0.933 20 0 DBADRM CNC(=O)NC[C@H]1CCCCN1C(=O)NC1CN(C(=O)[O-])C1 ZINC001571116776 1025843264 /nfs/dbraw/zinc/84/32/64/1025843264.db2.gz NFTSVWGIRXLUFS-SNVBAGLBSA-N -1 0 313.358 -0.158 20 0 DBADRM CN(C)C(=O)C1CCC(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)CC1 ZINC001571115769 1025843812 /nfs/dbraw/zinc/84/38/12/1025843812.db2.gz OSUOEFWRBSVUQG-BKDDHJOOSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)O[C@H]1C(=O)[O-] ZINC001571116066 1025844291 /nfs/dbraw/zinc/84/42/91/1025844291.db2.gz WLCPYNVAXMHSCM-UJPOAAIJSA-N -1 0 312.366 -0.156 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)COc2ccsn2)C[C@@H]1C(=O)[O-] ZINC001571119977 1025845034 /nfs/dbraw/zinc/84/50/34/1025845034.db2.gz OCABLAZBELPJAA-JGVFFNPUSA-N -1 0 314.319 -0.146 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cn1 ZINC001571119067 1025845056 /nfs/dbraw/zinc/84/50/56/1025845056.db2.gz SHSAOBDBGHUUMM-BDAKNGLRSA-N -1 0 313.335 -0.288 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])cnn1 ZINC001571119000 1025845622 /nfs/dbraw/zinc/84/56/22/1025845622.db2.gz PPWZTDJOHAIHPG-SNVBAGLBSA-N -1 0 313.335 -0.501 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)COc2ccsn2)C[C@H]1C(=O)[O-] ZINC001571119976 1025845836 /nfs/dbraw/zinc/84/58/36/1025845836.db2.gz OCABLAZBELPJAA-HTQZYQBOSA-N -1 0 314.319 -0.146 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-] ZINC001571119015 1025846330 /nfs/dbraw/zinc/84/63/30/1025846330.db2.gz QDHUZLZYZGKEAN-VIFPVBQESA-N -1 0 313.282 -0.738 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001571123922 1025846903 /nfs/dbraw/zinc/84/69/03/1025846903.db2.gz WHBNYLCYUJYMBR-NSHDSACASA-N -1 0 314.323 -0.991 20 0 DBADRM Cc1nc(C)n(C2CN(S(=O)(=O)[C@H]3C[C@@H](C(=O)[O-])C3)C2)n1 ZINC001571122997 1025847062 /nfs/dbraw/zinc/84/70/62/1025847062.db2.gz KKCKIVMQPGZLCW-JGZJWPJOSA-N -1 0 314.367 -0.055 20 0 DBADRM CCNC(=O)CCCC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001571122138 1025847087 /nfs/dbraw/zinc/84/70/87/1025847087.db2.gz CUORGIOPWQGDIR-ZJUUUORDSA-N -1 0 314.338 -0.375 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@@](C)(COC)CC(=O)[O-])nn1 ZINC001571123880 1025847325 /nfs/dbraw/zinc/84/73/25/1025847325.db2.gz VFJZOILUXGZPQO-NOZJJQNGSA-N -1 0 314.342 -0.341 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@H]1CCC[C@@H]1CCO ZINC001571126389 1025848586 /nfs/dbraw/zinc/84/85/86/1025848586.db2.gz QLOROZUPGRCVBC-MNOVXSKESA-N -1 0 315.370 -0.182 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1C[C@H](C)C(O)[C@@H](C)C1)C(=O)[O-] ZINC001571126798 1025848611 /nfs/dbraw/zinc/84/86/11/1025848611.db2.gz ZXDIXDOIYZLLOW-XKNYDFJKSA-N -1 0 315.370 -0.378 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1C[C@@H](C)[C@H](O)[C@@H](C)C1)C(=O)[O-] ZINC001571126796 1025849214 /nfs/dbraw/zinc/84/92/14/1025849214.db2.gz ZXDIXDOIYZLLOW-HPENLJRUSA-N -1 0 315.370 -0.378 20 0 DBADRM NC(=O)N[C@@H](CO)C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001571125637 1025849404 /nfs/dbraw/zinc/84/94/04/1025849404.db2.gz GZSKQEODISTKCG-MNOVXSKESA-N -1 0 315.370 -0.197 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001571125085 1025850062 /nfs/dbraw/zinc/85/00/62/1025850062.db2.gz APVCJXQEFXESGB-FXPVBKGRSA-N -1 0 315.351 -0.157 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H](CO)C1CCCC1)C(=O)[O-] ZINC001571126271 1025850100 /nfs/dbraw/zinc/85/01/00/1025850100.db2.gz PNIUFAKEUFXCRF-ATZCPNFKSA-N -1 0 315.370 -0.186 20 0 DBADRM O=C([O-])N1CCC(NC(=O)N2C[C@@H](CO)[C@H](CCO)C2)CC1 ZINC001571126563 1025850122 /nfs/dbraw/zinc/85/01/22/1025850122.db2.gz UNQLPKSCTOBRBX-MNOVXSKESA-N -1 0 315.370 -0.239 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NS(=O)(=O)c1ccccn1 ZINC001571129118 1025850637 /nfs/dbraw/zinc/85/06/37/1025850637.db2.gz YSTWGWNLFGRHHT-SECBINFHSA-N -1 0 316.335 -0.034 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)CCNC(=O)CO)C(=O)[O-])C1 ZINC001571131287 1025851080 /nfs/dbraw/zinc/85/10/80/1025851080.db2.gz AERFDCZUUKILSR-OPQQBVKSSA-N -1 0 316.354 -0.740 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001571126821 1025851250 /nfs/dbraw/zinc/85/12/50/1025851250.db2.gz VXDPTJVHBAUTAX-BIIVOSGPSA-N -1 0 315.351 -0.001 20 0 DBADRM Cn1c(C(=O)NCC(=O)NCC(=O)[O-])cc(=O)c2ccccc21 ZINC001571130808 1025851420 /nfs/dbraw/zinc/85/14/20/1025851420.db2.gz JRPWZKJZCKSITM-UHFFFAOYSA-N -1 0 317.301 -0.531 20 0 DBADRM CCC[C@@H](NS(=O)(=O)CCS(=O)(=O)N(C)C)C(=O)[O-] ZINC001571130811 1025851525 /nfs/dbraw/zinc/85/15/25/1025851525.db2.gz JTKVEKDFESEIJZ-MRVPVSSYSA-N -1 0 316.401 -0.950 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC001571128938 1025852164 /nfs/dbraw/zinc/85/21/64/1025852164.db2.gz TUVHLQILPWWMGX-APPZFPTMSA-N -1 0 316.326 -0.224 20 0 DBADRM C[C@]1(C(=O)NCCn2cc(C(=O)[O-])nn2)CCCS1(=O)=O ZINC001571131812 1025852719 /nfs/dbraw/zinc/85/27/19/1025852719.db2.gz USETXVHTCRCUMF-LLVKDONJSA-N -1 0 316.339 -0.940 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])n[nH]1 ZINC001571132480 1025852735 /nfs/dbraw/zinc/85/27/35/1025852735.db2.gz BQTZSXCSNOIFDA-NSHDSACASA-N -1 0 317.323 -0.176 20 0 DBADRM COCC[C@]1(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCOC1 ZINC001571131839 1025852767 /nfs/dbraw/zinc/85/27/67/1025852767.db2.gz VJOVUSMFJRCKMF-GYSYKLTISA-N -1 0 316.354 -0.029 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H](C(N)=O)C1 ZINC001571131622 1025852837 /nfs/dbraw/zinc/85/28/37/1025852837.db2.gz NGBIOOGBYZTCFR-SVRRBLITSA-N -1 0 316.339 -0.618 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)CCc1ocnc1C(=O)[O-] ZINC001571132799 1025853263 /nfs/dbraw/zinc/85/32/63/1025853263.db2.gz FZWAQTLBEWZLHR-UHFFFAOYSA-N -1 0 317.323 -0.324 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001571131605 1025853497 /nfs/dbraw/zinc/85/34/97/1025853497.db2.gz MHQQXIQDBVEZQI-MXWKQRLJSA-N -1 0 316.354 -0.252 20 0 DBADRM CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001571131639 1025853830 /nfs/dbraw/zinc/85/38/30/1025853830.db2.gz NWZQMEJZTZQZGB-SSDOTTSWSA-N -1 0 316.339 -0.745 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])on2)C[C@H]1CS(N)(=O)=O ZINC001571132811 1025854466 /nfs/dbraw/zinc/85/44/66/1025854466.db2.gz GKNVJIMPUBISFA-RQJHMYQMSA-N -1 0 317.323 -0.631 20 0 DBADRM COC[C@](C)(NC(=O)CC[C@@H]1C[C@H](C(=O)OC)CO1)C(=O)[O-] ZINC001571133354 1025854860 /nfs/dbraw/zinc/85/48/60/1025854860.db2.gz OPGBXEKJKKZFQO-RBZYPMLTSA-N -1 0 317.338 -0.049 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1 ZINC001571133273 1025855355 /nfs/dbraw/zinc/85/53/55/1025855355.db2.gz MSVHIZHFJFNTIL-FTBFGRRBSA-N -1 0 317.338 -0.051 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001571133100 1025855505 /nfs/dbraw/zinc/85/55/05/1025855505.db2.gz KKTUYVVRIVDHBS-AXFHLTTASA-N -1 0 317.338 -0.097 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H](C(=O)[O-])C1CC1 ZINC001571133393 1025855807 /nfs/dbraw/zinc/85/58/07/1025855807.db2.gz QEKOJIUZKNFOLT-QMMMGPOBSA-N -1 0 317.323 -0.354 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001571133811 1025856460 /nfs/dbraw/zinc/85/64/60/1025856460.db2.gz XNXJDDTZAIDEHZ-BDAKNGLRSA-N -1 0 317.342 -0.454 20 0 DBADRM C[C@@H]1CCN(CC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)C1 ZINC001571137182 1025856713 /nfs/dbraw/zinc/85/67/13/1025856713.db2.gz ADFTZAOFQSJZLL-GBIKHYSHSA-N -1 0 318.395 -0.668 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC001571133507 1025857043 /nfs/dbraw/zinc/85/70/43/1025857043.db2.gz QSVUOWODMPCJJD-MRVPVSSYSA-N -1 0 317.342 -0.393 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](CNC(=O)c3cnon3)C2)n1 ZINC001571138464 1025857509 /nfs/dbraw/zinc/85/75/09/1025857509.db2.gz WWSQEFXWYQDCBA-MRVPVSSYSA-N -1 0 318.293 -0.186 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)c2conc2C)C[C@H]1C(=O)[O-] ZINC001571140238 1025858444 /nfs/dbraw/zinc/85/84/44/1025858444.db2.gz RCXCFUMFVIIFAP-SFYZADRCSA-N -1 0 318.307 -0.523 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C[C@H]1O ZINC001571140576 1025858482 /nfs/dbraw/zinc/85/84/82/1025858482.db2.gz FPOXDQRFDYCBJB-GHMZBOCLSA-N -1 0 319.310 -0.096 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[C@@H]4C(=O)[O-])C[C@H]32)n1 ZINC001571140094 1025859007 /nfs/dbraw/zinc/85/90/07/1025859007.db2.gz PHOULEUTSIGGEN-LADJIXMOSA-N -1 0 318.333 -0.375 20 0 DBADRM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])C1 ZINC001571138941 1025859336 /nfs/dbraw/zinc/85/93/36/1025859336.db2.gz HRNZDIMMRATZTB-MIMYLULJSA-N -1 0 318.337 -0.063 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)c1ncc[nH]1)C2 ZINC001571139367 1025859541 /nfs/dbraw/zinc/85/95/41/1025859541.db2.gz KGCZKRVCVYRNPD-VHSXEESVSA-N -1 0 318.333 -0.195 20 0 DBADRM O=C([O-])C1(NC(=O)[C@@H]2CNC(=O)c3ccccc32)CC(CO)C1 ZINC001571140861 1025859885 /nfs/dbraw/zinc/85/98/85/1025859885.db2.gz TVSRVLGRHGHHSL-FTMAYTQWSA-N -1 0 318.329 -0.145 20 0 DBADRM COC(=O)C1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])oc2C)C1 ZINC001571141904 1025860356 /nfs/dbraw/zinc/86/03/56/1025860356.db2.gz UWDBZLZWRDNSSC-UHFFFAOYSA-N -1 0 319.291 -0.805 20 0 DBADRM Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001571140936 1025860423 /nfs/dbraw/zinc/86/04/23/1025860423.db2.gz VRLYYENWHFCQOB-VLEAKVRGSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1nc(CS(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)no1 ZINC001571142931 1025860469 /nfs/dbraw/zinc/86/04/69/1025860469.db2.gz DWPJCSKOGAQAMO-SNVBAGLBSA-N -1 0 319.339 -0.635 20 0 DBADRM Cc1cnc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001571141508 1025860508 /nfs/dbraw/zinc/86/05/08/1025860508.db2.gz XNWDEFLZRDQEDR-DBIOUOCHSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1conc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001571143017 1025860714 /nfs/dbraw/zinc/86/07/14/1025860714.db2.gz HWEMOKWLTHEVJP-OMHSBUABSA-N -1 0 319.317 -0.110 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)n1 ZINC001571141546 1025860982 /nfs/dbraw/zinc/86/09/82/1025860982.db2.gz XZQCQBBBXROOKV-UXCLJVHYSA-N -1 0 318.333 -0.498 20 0 DBADRM Cc1nc(N2CCN(C(=O)c3cc(C(=O)[O-])nn3C)CC2)n[nH]1 ZINC001571142961 1025861110 /nfs/dbraw/zinc/86/11/10/1025861110.db2.gz FLALDBCTTWKUDN-UHFFFAOYSA-N -1 0 319.325 -0.493 20 0 DBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)N[C@@H]2COCC[C@H]2O)c1 ZINC001571141892 1025861474 /nfs/dbraw/zinc/86/14/74/1025861474.db2.gz UGOVZVFQCYJICH-GHMZBOCLSA-N -1 0 319.310 -0.048 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2cncnc2)C1 ZINC001571141610 1025861605 /nfs/dbraw/zinc/86/16/05/1025861605.db2.gz ZIFYBHFUUWOTFT-PDEGPIFNSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2cnccn2)CC1 ZINC001571141587 1025861662 /nfs/dbraw/zinc/86/16/62/1025861662.db2.gz YZFXITFMEYGFKU-WDEREUQCSA-N -1 0 318.333 -0.082 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@@H](C(=O)[O-])c2cccnc2)nn1 ZINC001571143480 1025862748 /nfs/dbraw/zinc/86/27/48/1025862748.db2.gz ZRMPIIXOUXQBKU-ZYHUDNBSSA-N -1 0 319.321 0.000 20 0 DBADRM Cc1c(S(=O)(=O)N[C@H](CC2OCCO2)C(=O)[O-])cnn1C ZINC001571143318 1025862755 /nfs/dbraw/zinc/86/27/55/1025862755.db2.gz SJOSOVYBQHRQAS-MRVPVSSYSA-N -1 0 319.339 -0.777 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C[C@@H]1CCCC[C@H]1O ZINC001571144428 1025862942 /nfs/dbraw/zinc/86/29/42/1025862942.db2.gz MLCBQAZEKKCNJV-HBNTYKKESA-N -1 0 319.379 -0.362 20 0 DBADRM CO[C@]1(CO)CCCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001571143114 1025863220 /nfs/dbraw/zinc/86/32/20/1025863220.db2.gz LRMPHQYZQUAZRG-LLVKDONJSA-N -1 0 319.339 -0.730 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001571145386 1025864064 /nfs/dbraw/zinc/86/40/64/1025864064.db2.gz VHVTYNQYPMMUDI-WOPDXLMNSA-N -1 0 320.292 -0.656 20 0 DBADRM Cc1nn2cccnc2c1C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001571145622 1025864082 /nfs/dbraw/zinc/86/40/82/1025864082.db2.gz DTITUILLGPXGTQ-SECBINFHSA-N -1 0 320.305 -0.016 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001571145385 1025864595 /nfs/dbraw/zinc/86/45/95/1025864595.db2.gz VHVTYNQYPMMUDI-RSWFSCQZSA-N -1 0 320.292 -0.656 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001571144571 1025865005 /nfs/dbraw/zinc/86/50/05/1025865005.db2.gz PBGNTRLZUAXESB-SKDRFNHKSA-N -1 0 319.379 -0.505 20 0 DBADRM O=C(CCS(=O)(=O)C1CCCC1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001571144798 1025865404 /nfs/dbraw/zinc/86/54/04/1025865404.db2.gz XOACQBLDQLJKDR-SWZMTVOYSA-N -1 0 319.379 -0.172 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001571145810 1025866755 /nfs/dbraw/zinc/86/67/55/1025866755.db2.gz KQEZDNUTHOCNHQ-VGDYDELISA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC2(CN(C(=O)c3cnon3)C2)C1 ZINC001571146392 1025866926 /nfs/dbraw/zinc/86/69/26/1025866926.db2.gz WYCXVVYKIKXEBC-DTWKUNHWSA-N -1 0 320.305 -0.535 20 0 DBADRM Cc1cnn(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001571146147 1025866982 /nfs/dbraw/zinc/86/69/82/1025866982.db2.gz SAGINHXEPGABMZ-DDHJBXDOSA-N -1 0 320.349 -0.324 20 0 DBADRM C[C@@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC001571149647 1025868306 /nfs/dbraw/zinc/86/83/06/1025868306.db2.gz FGXXJJNTSYTMDC-WISYIIOYSA-N -1 0 320.411 -0.122 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001571148990 1025868435 /nfs/dbraw/zinc/86/84/35/1025868435.db2.gz IHMMYHSRVOJVBS-KKOKHZNYSA-N -1 0 320.349 -0.385 20 0 DBADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1)C1CC1 ZINC001571149408 1025868502 /nfs/dbraw/zinc/86/85/02/1025868502.db2.gz XBDGAOJRBZMMEO-WOPDTQHZSA-N -1 0 320.349 -0.214 20 0 DBADRM NS(=O)(=O)C[C@H]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001571149140 1025869174 /nfs/dbraw/zinc/86/91/74/1025869174.db2.gz OANPRWUYPWXVSH-JLIMGVALSA-N -1 0 320.367 -0.808 20 0 DBADRM CC(C)OC(=O)CNC(=O)[C@H](C)SCC(=O)NCC(=O)[O-] ZINC001571149295 1025869262 /nfs/dbraw/zinc/86/92/62/1025869262.db2.gz RTFMQPNONSUZNW-QMMMGPOBSA-N -1 0 320.367 -0.623 20 0 DBADRM C[C@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC001571149645 1025869280 /nfs/dbraw/zinc/86/92/80/1025869280.db2.gz FGXXJJNTSYTMDC-USZNOCQGSA-N -1 0 320.411 -0.122 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)Cc2nc[nH]n2)CC1 ZINC001571151109 1025870111 /nfs/dbraw/zinc/87/01/11/1025870111.db2.gz QZWCIDRWRFDXSQ-NXEZZACHSA-N -1 0 321.337 -0.825 20 0 DBADRM O=C(CC1OCCCO1)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001571150921 1025870265 /nfs/dbraw/zinc/87/02/65/1025870265.db2.gz OISFWRWKJSEIIR-UHFFFAOYSA-N -1 0 321.351 -0.712 20 0 DBADRM CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001571150505 1025870626 /nfs/dbraw/zinc/87/06/26/1025870626.db2.gz IFYYSRSNSGJTFJ-UTINFBMNSA-N -1 0 321.337 -0.604 20 0 DBADRM Cn1nncc1C(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571151485 1025871856 /nfs/dbraw/zinc/87/18/56/1025871856.db2.gz XWZLTXZJDZUKAL-NXEZZACHSA-N -1 0 321.337 -0.743 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001571151270 1025872454 /nfs/dbraw/zinc/87/24/54/1025872454.db2.gz UQHUCTBZHDMZHN-UWVGGRQHSA-N -1 0 321.337 -0.492 20 0 DBADRM C[C@H](O)[C@H](O)CNC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001571152761 1025872470 /nfs/dbraw/zinc/87/24/70/1025872470.db2.gz FBJMGFMDNIPVOA-QPUJVOFHSA-N -1 0 322.321 -0.016 20 0 DBADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)C(=O)NCC(F)(F)F ZINC001571153707 1025872610 /nfs/dbraw/zinc/87/26/10/1025872610.db2.gz QBLKYBKEFAQKRR-RXMQYKEDSA-N -1 0 322.243 -0.085 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)CNC(=O)c1ccccc1 ZINC001571152736 1025873051 /nfs/dbraw/zinc/87/30/51/1025873051.db2.gz DKNYKXCUBCIPFF-NSHDSACASA-N -1 0 322.317 -0.251 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001571154150 1025873874 /nfs/dbraw/zinc/87/38/74/1025873874.db2.gz UZRKQGMVYLRCSS-BDAKNGLRSA-N -1 0 322.321 -0.571 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C[C@@H](O)C1(O)CCCC1 ZINC001571153877 1025874621 /nfs/dbraw/zinc/87/46/21/1025874621.db2.gz GBOIGCOTCBFVQX-GHMZBOCLSA-N -1 0 321.395 -0.774 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001571154158 1025874816 /nfs/dbraw/zinc/87/48/16/1025874816.db2.gz UZRKQGMVYLRCSS-IUCAKERBSA-N -1 0 322.321 -0.571 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001571154125 1025874834 /nfs/dbraw/zinc/87/48/34/1025874834.db2.gz URTSXPMFMQBGCV-NXEZZACHSA-N -1 0 322.317 -0.055 20 0 DBADRM CN(CC(=O)NCCc1ncc(C(=O)[O-])s1)S(C)(=O)=O ZINC001571154951 1025875070 /nfs/dbraw/zinc/87/50/70/1025875070.db2.gz YZPSCOMWZFDINI-UHFFFAOYSA-N -1 0 321.380 -0.609 20 0 DBADRM COC(=O)[C@](C)(CO)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001571158365 1025875942 /nfs/dbraw/zinc/87/59/42/1025875942.db2.gz LADLNIIQOSPUOK-JTQLQIEISA-N -1 0 323.348 -0.351 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCc1cccc(CO)c1)C(=O)[O-] ZINC001571158381 1025875978 /nfs/dbraw/zinc/87/59/78/1025875978.db2.gz LIFHGZFRTJLIRZ-UWVGGRQHSA-N -1 0 323.349 -0.044 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001571156486 1025876174 /nfs/dbraw/zinc/87/61/74/1025876174.db2.gz XPNHXPJLKAGEEF-LBPRGKRZSA-N -1 0 322.383 -0.577 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1cnn(C[C@H](O)CO)c1)C2 ZINC001571158121 1025876430 /nfs/dbraw/zinc/87/64/30/1025876430.db2.gz GZPNBVMQHQNASZ-HUBLWGQQSA-N -1 0 323.349 -0.437 20 0 DBADRM COC(=O)C[C@@H]1CC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC001571155840 1025876529 /nfs/dbraw/zinc/87/65/29/1025876529.db2.gz FNRYIDWJXIPWLF-ZJUUUORDSA-N -1 0 322.383 -0.041 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)C1CCN(C(=O)[O-])CC1)C(N)=O ZINC001571158177 1025876631 /nfs/dbraw/zinc/87/66/31/1025876631.db2.gz HZIHAYWOYDYGPF-AWEZNQCLSA-N -1 0 323.353 -0.367 20 0 DBADRM Cc1cccc(C[C@@H](CNC(=O)[C@H](CO)NC(N)=O)C(=O)[O-])c1 ZINC001571158163 1025876760 /nfs/dbraw/zinc/87/67/60/1025876760.db2.gz HSAWVBBJCSRXDN-RYUDHWBXSA-N -1 0 323.349 -0.616 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001571159204 1025877400 /nfs/dbraw/zinc/87/74/00/1025877400.db2.gz CCWUMYYBTZBXQR-YUMQZZPRSA-N -1 0 323.305 -0.424 20 0 DBADRM C[C@@]1(NC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCOC1=O ZINC001571159383 1025877629 /nfs/dbraw/zinc/87/76/29/1025877629.db2.gz GRLUGFIOHAAZDW-AMIZOPFISA-N -1 0 323.309 -0.362 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC001571158749 1025877781 /nfs/dbraw/zinc/87/77/81/1025877781.db2.gz QTZAZYNKHQRKDE-QMTHXVAHSA-N -1 0 323.353 -0.367 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@@H](O)C(F)(F)C1)C(=O)[O-] ZINC001571159255 1025877830 /nfs/dbraw/zinc/87/78/30/1025877830.db2.gz DNGCRXPQWHRALT-BIIVOSGPSA-N -1 0 323.296 -0.624 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001571158554 1025877979 /nfs/dbraw/zinc/87/79/79/1025877979.db2.gz NMNUJTYNGCBNIA-SECBINFHSA-N -1 0 323.367 -0.468 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CCN(CC(=O)N2CCC2)CC1 ZINC001571160705 1025878403 /nfs/dbraw/zinc/87/84/03/1025878403.db2.gz FJWGAWRBJHKFRH-QWHCGFSZSA-N -1 0 323.393 -0.138 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NC2CN(C(=O)[O-])C2)oc1Cl ZINC001571161556 1025879167 /nfs/dbraw/zinc/87/91/67/1025879167.db2.gz UWUXJRRKYBYRBU-UHFFFAOYSA-N -1 0 323.714 -0.328 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)Nc2nc3n(c2C(=O)[O-])CCC3)CCO1 ZINC001571159626 1025878830 /nfs/dbraw/zinc/87/88/30/1025878830.db2.gz KNXYZAPEIPCLHR-SSDOTTSWSA-N -1 0 323.309 -0.755 20 0 DBADRM CC1(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCN(CC(=O)NC2CC2)CC1 ZINC001571160793 1025878913 /nfs/dbraw/zinc/87/89/13/1025878913.db2.gz HEJWUIOLRJGXKL-NEPJUHHUSA-N -1 0 323.393 -0.044 20 0 DBADRM NC(=O)Cn1cc(NC(=O)N2CC[C@H](NC(=O)[O-])C2)ccc1=O ZINC001571159392 1025879251 /nfs/dbraw/zinc/87/92/51/1025879251.db2.gz GTDHYKMGSPMBOO-VIFPVBQESA-N -1 0 323.309 -0.793 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)c(C(=O)[O-])c1C ZINC001571163606 1025880005 /nfs/dbraw/zinc/88/00/05/1025880005.db2.gz ODVIFGCZXGGFOU-UIKWRGBMSA-N -1 0 324.333 -0.233 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)[C@]3(F)CCOC3)C2)n1 ZINC001571163430 1025880121 /nfs/dbraw/zinc/88/01/21/1025880121.db2.gz LOYIVBFDEDWKIU-XPTSAGLGSA-N -1 0 324.312 -0.262 20 0 DBADRM COCc1noc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001571163980 1025880436 /nfs/dbraw/zinc/88/04/36/1025880436.db2.gz YJBXQOJOJDMOCB-UTINFBMNSA-N -1 0 324.337 -0.327 20 0 DBADRM COC(=O)COc1ccc(NC(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001571163558 1025880613 /nfs/dbraw/zinc/88/06/13/1025880613.db2.gz MQONYADCQXEUDC-UHFFFAOYSA-N -1 0 324.289 -0.098 20 0 DBADRM COC(=O)COc1cccc(NC(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001571163783 1025880855 /nfs/dbraw/zinc/88/08/55/1025880855.db2.gz QPDHVKPIVWPMKK-UHFFFAOYSA-N -1 0 324.289 -0.098 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N[C@@H](CO)[C@H]2CCCOC2)c1=O ZINC001571163927 1025881052 /nfs/dbraw/zinc/88/10/52/1025881052.db2.gz WVJYHLUXZDSJFC-JQWIXIFHSA-N -1 0 324.333 -0.550 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)c1ccnc(C(=O)[O-])c1 ZINC001571163024 1025881158 /nfs/dbraw/zinc/88/11/58/1025881158.db2.gz CSCZDLFSJSTNDT-SNVBAGLBSA-N -1 0 324.289 -0.186 20 0 DBADRM COC[C@@H](CS(=O)(=O)NCc1ncc(C(=O)[O-])s1)OC ZINC001571164611 1025881804 /nfs/dbraw/zinc/88/18/04/1025881804.db2.gz CKNYHUBHRCAVQB-ZETCQYMHSA-N -1 0 324.380 -0.078 20 0 DBADRM CC(C)(O)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C2 ZINC001571166056 1025882267 /nfs/dbraw/zinc/88/22/67/1025882267.db2.gz SAJIFCKGZWJZLV-GHMZBOCLSA-N -1 0 324.377 -0.071 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001571164927 1025882520 /nfs/dbraw/zinc/88/25/20/1025882520.db2.gz HXKDFWXMSVLZMA-SCZZXKLOSA-N -1 0 324.341 -0.557 20 0 DBADRM C/C=C(/C)C(=O)NCC1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001571742239 1026169536 /nfs/dbraw/zinc/16/95/36/1026169536.db2.gz IDUVQMKBVALJAG-BAQGIRSFSA-N -1 0 323.353 -0.334 20 0 DBADRM C/C=C(/C)C(=O)N(C)C1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001572554086 1026427860 /nfs/dbraw/zinc/42/78/60/1026427860.db2.gz CNVOIKRRMVMFNX-YWEYNIOJSA-N -1 0 323.353 -0.239 20 0 DBADRM C=CS(=O)(=O)CCC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573310480 1026546395 /nfs/dbraw/zinc/54/63/95/1026546395.db2.gz LMDRDLWRTMIBEI-SFYZADRCSA-N -1 0 306.340 -0.971 20 0 DBADRM CC(=O)Nc1cccnc1NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001573355452 1026554380 /nfs/dbraw/zinc/55/43/80/1026554380.db2.gz ARXNHWCPWGKALQ-UHFFFAOYSA-N -1 0 304.266 -0.032 20 0 DBADRM C[C@@H](C(=O)Nc1nc2n(c1C(=O)[O-])CCOC2)S(C)(=O)=O ZINC001573364362 1026555403 /nfs/dbraw/zinc/55/54/03/1026555403.db2.gz RUBTWGXIPPWWQM-LURJTMIESA-N -1 0 317.323 -0.517 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001573370499 1026558146 /nfs/dbraw/zinc/55/81/46/1026558146.db2.gz IQSOBDZZWUWRTI-UPJWGTAASA-N -1 0 321.333 -0.305 20 0 DBADRM C/C(=C/C(=O)NCCN(CCO)C(=O)CNC(=O)[O-])C1CC1 ZINC001573385980 1026559049 /nfs/dbraw/zinc/55/90/49/1026559049.db2.gz NFGCGKJKMQNVFA-NTMALXAHSA-N -1 0 313.354 -0.453 20 0 DBADRM CC(=O)N1CC[C@@H](NS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC001573369971 1026559096 /nfs/dbraw/zinc/55/90/96/1026559096.db2.gz ATSUQUAKQYHUJC-MRVPVSSYSA-N -1 0 316.339 -0.685 20 0 DBADRM CC(=O)CCCC(=O)N1CC([C@@H](C)NC(=O)CNC(=O)[O-])C1 ZINC001573399089 1026560850 /nfs/dbraw/zinc/56/08/50/1026560850.db2.gz FVKWANUUQLZUOD-SNVBAGLBSA-N -1 0 313.354 -0.024 20 0 DBADRM C[C@@H](C(=O)[O-])C1CN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001573399090 1026561036 /nfs/dbraw/zinc/56/10/36/1026561036.db2.gz KYPWMBNPGABLFX-MRVPVSSYSA-N -1 0 305.294 -0.930 20 0 DBADRM CC(=O)c1sc(NC(=O)NC[C@@H](O)[C@@H](C)O)nc1C(=O)[O-] ZINC001573397901 1026561065 /nfs/dbraw/zinc/56/10/65/1026561065.db2.gz SITNSLYTBUKLPX-INEUFUBQSA-N -1 0 317.323 -0.093 20 0 DBADRM CC(=O)c1sc(NC(=O)NC[C@H](O)[C@@H](C)O)nc1C(=O)[O-] ZINC001573397906 1026561090 /nfs/dbraw/zinc/56/10/90/1026561090.db2.gz SITNSLYTBUKLPX-XINAWCOVSA-N -1 0 317.323 -0.093 20 0 DBADRM CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CNC(=O)[O-])C1 ZINC001573398813 1026561307 /nfs/dbraw/zinc/56/13/07/1026561307.db2.gz DORIQEHMIOJDNY-KOLCDFICSA-N -1 0 313.354 -0.024 20 0 DBADRM CC(=O)C1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])CC1 ZINC001573393345 1026561420 /nfs/dbraw/zinc/56/14/20/1026561420.db2.gz UQYCMONHNQIPCP-UHFFFAOYSA-N -1 0 313.354 -0.022 20 0 DBADRM CC(=O)N(C)CCCC(=O)N(C)CCNC(=O)CNC(=O)[O-] ZINC001573401284 1026562807 /nfs/dbraw/zinc/56/28/07/1026562807.db2.gz PVTGSYOCZLLZLI-UHFFFAOYSA-N -1 0 316.358 -0.913 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H]1c1n[nH]nc1C(=O)[O-])S(C)(=O)=O ZINC001573400263 1026563048 /nfs/dbraw/zinc/56/30/48/1026563048.db2.gz VOPKAUIZFHGQDQ-RQJHMYQMSA-N -1 0 316.339 -0.401 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)CCN(C)c1ccnc(C(=O)[O-])n1 ZINC001573401581 1026563258 /nfs/dbraw/zinc/56/32/58/1026563258.db2.gz DUIJLCVCKIIGJE-UHFFFAOYSA-N -1 0 323.353 -0.452 20 0 DBADRM CC(=O)N(C)CC(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001573401176 1026563368 /nfs/dbraw/zinc/56/33/68/1026563368.db2.gz ARFQJWCYMVNPAQ-UHFFFAOYSA-N -1 0 321.337 -0.698 20 0 DBADRM C[C@H](C(=O)[O-])C1CN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C1 ZINC001573399545 1026563448 /nfs/dbraw/zinc/56/34/48/1026563448.db2.gz NWIZKFWOISDAPU-IUCAKERBSA-N -1 0 319.383 -0.919 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H]1c1n[nH]nc1C(=O)[O-])S(C)(=O)=O ZINC001573400247 1026563520 /nfs/dbraw/zinc/56/35/20/1026563520.db2.gz VOPKAUIZFHGQDQ-BQBZGAKWSA-N -1 0 316.339 -0.401 20 0 DBADRM CC(=O)CCCC(=O)N1CC[C@@H](CNC(=O)CNC(=O)[O-])C1 ZINC001573399975 1026564256 /nfs/dbraw/zinc/56/42/56/1026564256.db2.gz NVLXEYUROSLIOC-NSHDSACASA-N -1 0 313.354 -0.022 20 0 DBADRM C[C@H](C(=O)[O-])C1CN(C(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001573407317 1026564641 /nfs/dbraw/zinc/56/46/41/1026564641.db2.gz HHHIMPJFBPMPRW-LURJTMIESA-N -1 0 304.253 -0.388 20 0 DBADRM CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001573406920 1026566014 /nfs/dbraw/zinc/56/60/14/1026566014.db2.gz IXNXCOFQYPNUNX-KGLIPLIRSA-N -1 0 317.338 -0.171 20 0 DBADRM C[C@@H](C(=O)[O-])C1CN(C(=O)c2ccc(S(N)(=O)=O)nc2)C1 ZINC001573408197 1026566206 /nfs/dbraw/zinc/56/62/06/1026566206.db2.gz VLZWDBQETSGMMN-SSDOTTSWSA-N -1 0 313.335 -0.478 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H](C)CCNc1ccnc(C(=O)[O-])n1 ZINC001573402651 1026566263 /nfs/dbraw/zinc/56/62/63/1026566263.db2.gz KYNZQQGTHLCXSM-VIFPVBQESA-N -1 0 323.353 -0.618 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])C1 ZINC001573410900 1026566651 /nfs/dbraw/zinc/56/66/51/1026566651.db2.gz YUNLWYYFMCAEJC-HZMBPMFUSA-N -1 0 314.338 -0.423 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N(C)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001573416903 1026566737 /nfs/dbraw/zinc/56/67/37/1026566737.db2.gz DGOYTCBCMNCEAU-VHSXEESVSA-N -1 0 313.354 -0.804 20 0 DBADRM CC(=O)N1CCCC[C@H]1C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001573413189 1026566856 /nfs/dbraw/zinc/56/68/56/1026566856.db2.gz DCZKISTUDQWTOM-MNOVXSKESA-N -1 0 314.338 -0.280 20 0 DBADRM CC(=O)N[C@H](C(=O)N[C@H](CCC1OCCO1)C(=O)[O-])C(C)C ZINC001573417252 1026566933 /nfs/dbraw/zinc/56/69/33/1026566933.db2.gz HKTBYCSSEFUZCF-PWSUYJOCSA-N -1 0 316.354 -0.130 20 0 DBADRM CC(=O)N1CCC2(CO[C@H](CNC(=O)CNC(=O)[O-])C2)CC1 ZINC001573411256 1026567032 /nfs/dbraw/zinc/56/70/32/1026567032.db2.gz NGROCTKFWZFQJZ-NSHDSACASA-N -1 0 313.354 -0.212 20 0 DBADRM CC(=O)N1CCN([C@H]2CCN(c3ccnc(C(=O)[O-])n3)C2)CC1 ZINC001573413209 1026567307 /nfs/dbraw/zinc/56/73/07/1026567307.db2.gz DUXHKHWMSRPAHE-LBPRGKRZSA-N -1 0 319.365 -0.082 20 0 DBADRM CC(=O)N1CCC2(CO[C@@H](CNC(=O)CNC(=O)[O-])C2)CC1 ZINC001573411255 1026567514 /nfs/dbraw/zinc/56/75/14/1026567514.db2.gz NGROCTKFWZFQJZ-LLVKDONJSA-N -1 0 313.354 -0.212 20 0 DBADRM CC(=O)N[C@H](C(=O)N[C@H](Cn1cncn1)C(=O)[O-])C1CCCC1 ZINC001573416907 1026567561 /nfs/dbraw/zinc/56/75/61/1026567561.db2.gz DGZZMFQXKNIHNG-NEPJUHHUSA-N -1 0 323.353 -0.458 20 0 DBADRM CC(=O)N[C@@H](C(=O)N[C@H](CCC1OCCO1)C(=O)[O-])C(C)C ZINC001573417254 1026567781 /nfs/dbraw/zinc/56/77/81/1026567781.db2.gz HKTBYCSSEFUZCF-ZYHUDNBSSA-N -1 0 316.354 -0.130 20 0 DBADRM CC(=O)N1CCC(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CC1 ZINC001573410417 1026568207 /nfs/dbraw/zinc/56/82/07/1026568207.db2.gz OPHJEWIMLODTLL-NSHDSACASA-N -1 0 314.338 -0.423 20 0 DBADRM CC(=O)N1CC[C@@H](N2CCN(c3ncc(C(=O)[O-])cn3)CC2)C1 ZINC001573411799 1026568448 /nfs/dbraw/zinc/56/84/48/1026568448.db2.gz WQMZIFRPVKSEOY-CYBMUJFWSA-N -1 0 319.365 -0.082 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])C1 ZINC001573410908 1026568457 /nfs/dbraw/zinc/56/84/57/1026568457.db2.gz YUNLWYYFMCAEJC-YGRLFVJLSA-N -1 0 314.338 -0.423 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CCNc1ccnc(C(=O)[O-])n1 ZINC001573420309 1026569086 /nfs/dbraw/zinc/56/90/86/1026569086.db2.gz ADAXEYSVCCTYLW-IUCAKERBSA-N -1 0 323.353 -0.572 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)CCNc1ncc(C(=O)[O-])cn1 ZINC001573421804 1026569157 /nfs/dbraw/zinc/56/91/57/1026569157.db2.gz NGXKGRMCAXOHCS-QMMMGPOBSA-N -1 0 309.326 -0.430 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC001573419193 1026569359 /nfs/dbraw/zinc/56/93/59/1026569359.db2.gz ZFKVVWCCUNXXBN-CHWSQXEVSA-N -1 0 306.318 -0.479 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001573421775 1026569406 /nfs/dbraw/zinc/56/94/06/1026569406.db2.gz LZEMGBUFADMELS-RKDXNWHRSA-N -1 0 323.353 -0.620 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NCCC[C@H](C)NC(=O)CNC(=O)[O-] ZINC001573420512 1026569563 /nfs/dbraw/zinc/56/95/63/1026569563.db2.gz CIZXHHVTJDUSAW-IUCAKERBSA-N -1 0 316.358 -0.820 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001573421772 1026569632 /nfs/dbraw/zinc/56/96/32/1026569632.db2.gz LZEMGBUFADMELS-BDAKNGLRSA-N -1 0 323.353 -0.620 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001573420996 1026569775 /nfs/dbraw/zinc/56/97/75/1026569775.db2.gz GYKWDRYHONYORS-SECBINFHSA-N -1 0 321.337 -0.652 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001573419120 1026569793 /nfs/dbraw/zinc/56/97/93/1026569793.db2.gz YHILNSUUFPVAKC-BBRMVZONSA-N -1 0 320.345 -0.088 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001573421805 1026569952 /nfs/dbraw/zinc/56/99/52/1026569952.db2.gz NJUBMHIWKYCNPH-UHFFFAOYSA-N -1 0 323.353 -0.358 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001573421005 1026570040 /nfs/dbraw/zinc/57/00/40/1026570040.db2.gz GYNFLLHEMLCYAP-BDAKNGLRSA-N -1 0 323.353 -0.620 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001573427005 1026570734 /nfs/dbraw/zinc/57/07/34/1026570734.db2.gz PIWVIKSEGZNFQH-SZEHBUNVSA-N -1 0 321.337 -0.820 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001573423579 1026570753 /nfs/dbraw/zinc/57/07/53/1026570753.db2.gz ZDLGGYPWCIMVSU-KWQFWETISA-N -1 0 321.337 -0.606 20 0 DBADRM CC(=O)NCC(=O)N1C[C@H](Nc2ncc(C(=O)[O-])cn2)C[C@H]1C ZINC001573427689 1026570923 /nfs/dbraw/zinc/57/09/23/1026570923.db2.gz FSWDLWRVEKTHHE-LDYMZIIASA-N -1 0 321.337 -0.288 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)/C=C/C(=O)[O-] ZINC001573427636 1026571051 /nfs/dbraw/zinc/57/10/51/1026571051.db2.gz DAYZDQWFSWRWPX-PFLKOTLJSA-N -1 0 311.338 -0.741 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@@H](NC(=O)CNC(=O)[O-])C(C)C ZINC001573423419 1026571217 /nfs/dbraw/zinc/57/12/17/1026571217.db2.gz YJISZSUVIFTHIG-PSASIEDQSA-N -1 0 316.358 -0.964 20 0 DBADRM CC(=O)NC1(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])CCCCC1 ZINC001573427528 1026571253 /nfs/dbraw/zinc/57/12/53/1026571253.db2.gz ZFPNEFLJCYUTBR-LLVKDONJSA-N -1 0 323.353 -0.314 20 0 DBADRM CC(=O)NCC(=O)N1CCC(Nc2ncc(C(=O)[O-])cn2)CC1 ZINC001573428376 1026573001 /nfs/dbraw/zinc/57/30/01/1026573001.db2.gz VJQUYBCCJOFVRI-UHFFFAOYSA-N -1 0 321.337 -0.286 20 0 DBADRM CC(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573430160 1026573155 /nfs/dbraw/zinc/57/31/55/1026573155.db2.gz OHYSDQCJQISOAN-JGZJWPJOSA-N -1 0 321.337 -0.382 20 0 DBADRM CC(=O)NCC(=O)NC[C@@H]1CCCN1c1ncc(C(=O)[O-])cn1 ZINC001573429473 1026573174 /nfs/dbraw/zinc/57/31/74/1026573174.db2.gz JJNMNDBVIYBCNV-NSHDSACASA-N -1 0 321.337 -0.604 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1C[C@H](CNc2ncc(C(=O)[O-])cn2)C1 ZINC001573430210 1026573205 /nfs/dbraw/zinc/57/32/05/1026573205.db2.gz QBIVFFASZSDVAS-HOMQSWHASA-N -1 0 321.337 -0.382 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1C ZINC001573430145 1026573287 /nfs/dbraw/zinc/57/32/87/1026573287.db2.gz OBIOXIPVERDWHT-LDYMZIIASA-N -1 0 321.337 -0.748 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001573429057 1026573365 /nfs/dbraw/zinc/57/33/65/1026573365.db2.gz BHLVVVVEKNCQOS-LLVKDONJSA-N -1 0 313.354 -0.658 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccnc(C(=O)[O-])n1 ZINC001573429863 1026573433 /nfs/dbraw/zinc/57/34/33/1026573433.db2.gz MNXUHHSJSNWYAG-QMMMGPOBSA-N -1 0 309.326 -0.748 20 0 DBADRM CC(=O)NCC(=O)NC[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573430159 1026573456 /nfs/dbraw/zinc/57/34/56/1026573456.db2.gz OHYSDQCJQISOAN-HOMQSWHASA-N -1 0 321.337 -0.382 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001573429097 1026573751 /nfs/dbraw/zinc/57/37/51/1026573751.db2.gz BYCPBGGJTPAZJO-SNVBAGLBSA-N -1 0 307.310 -0.994 20 0 DBADRM CC(=O)NCC(=O)N[C@H](CNC(=O)CNC(=O)[O-])C(C)(C)C ZINC001573429453 1026574003 /nfs/dbraw/zinc/57/40/03/1026574003.db2.gz IQIMUUDNQHVDJW-SECBINFHSA-N -1 0 316.358 -0.963 20 0 DBADRM CC(=O)NCC(=O)NC[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001573430937 1026574068 /nfs/dbraw/zinc/57/40/68/1026574068.db2.gz XAXISHTWEQDLHZ-MGCOHNPYSA-N -1 0 321.337 -0.961 20 0 DBADRM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001573440946 1026574465 /nfs/dbraw/zinc/57/44/65/1026574465.db2.gz KXMXQDZVOGEBOW-NEPJUHHUSA-N -1 0 323.353 -0.458 20 0 DBADRM CC(=O)Nc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])nc1 ZINC001573444565 1026574609 /nfs/dbraw/zinc/57/46/09/1026574609.db2.gz XWHDPWODBBOJAH-LLVKDONJSA-N -1 0 320.305 -0.545 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001573436200 1026574804 /nfs/dbraw/zinc/57/48/04/1026574804.db2.gz JNUJKTGDUURYHT-MNOVXSKESA-N -1 0 311.342 -0.602 20 0 DBADRM CC(=O)N[C@@H](CSc1nc(N)nc(Cl)c1N)C(=O)[O-] ZINC001573436368 1026575603 /nfs/dbraw/zinc/57/56/03/1026575603.db2.gz NPEDQILILIRFOE-BYPYZUCNSA-N -1 0 305.747 -0.024 20 0 DBADRM CC(=O)NCC(=O)N1C[C@@H](C)[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573430975 1026575983 /nfs/dbraw/zinc/57/59/83/1026575983.db2.gz YKMATACRDFXQBB-LDYMZIIASA-N -1 0 321.337 -0.430 20 0 DBADRM CC(C)(CNS(C)(=O)=O)NC(=O)C1CCN(C(=O)[O-])CC1 ZINC001573482171 1026579458 /nfs/dbraw/zinc/57/94/58/1026579458.db2.gz POZQNGSLMNAKML-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)[C@@H](CNC(=O)c1cn(C(F)(F)CO)nn1)C(=O)[O-] ZINC001573499735 1026581889 /nfs/dbraw/zinc/58/18/89/1026581889.db2.gz XYKLOSUVGNETSM-SSDOTTSWSA-N -1 0 306.269 -0.094 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC001573490959 1026582264 /nfs/dbraw/zinc/58/22/64/1026582264.db2.gz ITBNEEWKRKXEPB-SKDRFNHKSA-N -1 0 313.354 -0.628 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC001573490442 1026582584 /nfs/dbraw/zinc/58/25/84/1026582584.db2.gz CDTRFPQEPVWDNY-IUCAKERBSA-N -1 0 301.343 -0.676 20 0 DBADRM CC(C)CC(=O)N1CCN(c2nc(N)nc(C(=O)[O-])n2)CC1 ZINC001573491933 1026582691 /nfs/dbraw/zinc/58/26/91/1026582691.db2.gz PEPZLAHKDDPELT-UHFFFAOYSA-N -1 0 308.342 -0.153 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N(CC(=O)[O-])C(C)C ZINC001573490569 1026582738 /nfs/dbraw/zinc/58/27/38/1026582738.db2.gz DHUCRDBZQDKVIJ-JTQLQIEISA-N -1 0 315.370 -0.286 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[C@H](CO)NC(=O)C(C)C)NC(=O)[O-] ZINC001573501266 1026582769 /nfs/dbraw/zinc/58/27/69/1026582769.db2.gz CPKAQULALJYQHD-QWRGUYRKSA-N -1 0 317.386 -0.082 20 0 DBADRM CC(C)NC(=O)CCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573525302 1026583952 /nfs/dbraw/zinc/58/39/52/1026583952.db2.gz UOTADLDTMKHZQW-UWVGGRQHSA-N -1 0 315.370 -0.225 20 0 DBADRM CC(C)[C@H](NC(=O)c1ccnc2c(C(=O)[O-])cnn21)C(N)=O ZINC001573530748 1026583970 /nfs/dbraw/zinc/58/39/70/1026583970.db2.gz DYDLNWJRJXTQNT-VIFPVBQESA-N -1 0 305.294 -0.333 20 0 DBADRM CC(C)N(CCC(=O)[O-])S(=O)(=O)CCN1CCOC1=O ZINC001573519441 1026584289 /nfs/dbraw/zinc/58/42/89/1026584289.db2.gz MEHSDROGUYBWEW-UHFFFAOYSA-N -1 0 308.356 -0.047 20 0 DBADRM CC(C)C[C@@H](NC(=O)[C@@H](O)C(C)(C)O)c1nc(C(=O)[O-])n[nH]1 ZINC001573506642 1026584773 /nfs/dbraw/zinc/58/47/73/1026584773.db2.gz SOZZMIDNSTXNDH-HTQZYQBOSA-N -1 0 314.342 -0.162 20 0 DBADRM C[C@H](CN(C)C(=O)C[N@@H+]1CCC[C@H](C(=O)[O-])C1)c1nnn[n-]1 ZINC001573543662 1026586170 /nfs/dbraw/zinc/58/61/70/1026586170.db2.gz UIGKAPOCYKCQEG-ZJUUUORDSA-N -1 0 310.358 -0.442 20 0 DBADRM C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC001573544125 1026586315 /nfs/dbraw/zinc/58/63/15/1026586315.db2.gz FTLLJBWKTRZTIA-MRVPVSSYSA-N -1 0 318.326 -0.059 20 0 DBADRM CC(C)c1nnnn1CC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001573533200 1026586376 /nfs/dbraw/zinc/58/63/76/1026586376.db2.gz LKKZMENIRMPGKG-NXEZZACHSA-N -1 0 311.342 -0.065 20 0 DBADRM CC(C)C[C@H](NC(=O)COCC(=O)[O-])C(=O)N1CCOCC1 ZINC001573536762 1026586893 /nfs/dbraw/zinc/58/68/93/1026586893.db2.gz GTOAAZFECURFLZ-NSHDSACASA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@H](CCC(=O)[O-])NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001573543687 1026587166 /nfs/dbraw/zinc/58/71/66/1026587166.db2.gz UMGNBCPYCYHBTJ-SFYZADRCSA-N -1 0 311.298 -0.630 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)COCC(=O)NCc1cccnc1 ZINC001573540281 1026587481 /nfs/dbraw/zinc/58/74/81/1026587481.db2.gz JBQCZEDBYBSWSZ-JTQLQIEISA-N -1 0 309.322 -0.306 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001573543725 1026587841 /nfs/dbraw/zinc/58/78/41/1026587841.db2.gz VCEGJFLEASZWKF-QMMMGPOBSA-N -1 0 313.397 -0.264 20 0 DBADRM CC(C)N(CC(=O)[O-])S(=O)(=O)CCS(=O)(=O)N(C)C ZINC001573546194 1026588431 /nfs/dbraw/zinc/58/84/31/1026588431.db2.gz MOOLSTURBRMPJH-UHFFFAOYSA-N -1 0 316.401 -0.997 20 0 DBADRM C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001573553607 1026589540 /nfs/dbraw/zinc/58/95/40/1026589540.db2.gz YAFDDXWMCWZLMN-MRVPVSSYSA-N -1 0 316.335 -0.840 20 0 DBADRM C[C@@H](CNC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)CC(=O)[O-] ZINC001573551677 1026589606 /nfs/dbraw/zinc/58/96/06/1026589606.db2.gz OHMMERPOZZISAT-HTQZYQBOSA-N -1 0 311.298 -0.773 20 0 DBADRM CC(CO)(CO)NC(=O)Nc1c(C(=O)[O-])nc2ccccn21 ZINC001573550422 1026589730 /nfs/dbraw/zinc/58/97/30/1026589730.db2.gz GTYZDVQOUNDGFL-UHFFFAOYSA-N -1 0 308.294 -0.103 20 0 DBADRM C[C@@H](NC(=O)N[C@H](C)c1ccn(C)n1)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573551793 1026589749 /nfs/dbraw/zinc/58/97/49/1026589749.db2.gz BYQCERNOPIKMBN-HLTSFMKQSA-N -1 0 311.342 -0.242 20 0 DBADRM C[C@@H](NC(=O)[C@@]1(C)CCCS1(=O)=O)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573554057 1026590716 /nfs/dbraw/zinc/59/07/16/1026590716.db2.gz PWIFSEQIEZFJTN-RGNHYFCHSA-N -1 0 320.367 -0.952 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NC(=O)c1cccn(C2CC2)c1=O)C(=O)[O-] ZINC001573560083 1026591025 /nfs/dbraw/zinc/59/10/25/1026591025.db2.gz PHXFYNUQLIOCCG-DTWKUNHWSA-N -1 0 321.333 -0.109 20 0 DBADRM C[C@H](NC(=O)[C@@]1(C)CCCS1(=O)=O)c1nc(C(=O)[O-])n[nH]1 ZINC001573560103 1026591191 /nfs/dbraw/zinc/59/11/91/1026591191.db2.gz PNWVOUSVAHAOCO-UPONEAKYSA-N -1 0 316.339 -0.353 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NC(=O)c1c2c(nn1C)CCC2)C(=O)[O-] ZINC001573560061 1026591796 /nfs/dbraw/zinc/59/17/96/1026591796.db2.gz OXXHJCXJERCLEB-JGVFFNPUSA-N -1 0 308.338 -0.384 20 0 DBADRM C[C@@H](NC(=O)c1ncc2n1CCCC2)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573560108 1026591908 /nfs/dbraw/zinc/59/19/08/1026591908.db2.gz POZOBMOAYXEATC-BDAKNGLRSA-N -1 0 308.338 -0.073 20 0 DBADRM C[C@@H](NC(=O)CCNC(=O)CO)C1CCN(C(=O)[O-])CC1 ZINC001573561078 1026592621 /nfs/dbraw/zinc/59/26/21/1026592621.db2.gz BVJKAATZBHYWKV-SECBINFHSA-N -1 0 301.343 -0.620 20 0 DBADRM C[C@@H](NC(=O)c1ccc(NC(=O)c2nnn(C)n2)cc1)C(=O)[O-] ZINC001573569204 1026592938 /nfs/dbraw/zinc/59/29/38/1026592938.db2.gz QXNMMJGDGKNCTC-SSDOTTSWSA-N -1 0 318.293 -0.335 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])nn1 ZINC001573581225 1026595174 /nfs/dbraw/zinc/59/51/74/1026595174.db2.gz JHOBOOWYNWTKKJ-AEJSXWLSSA-N -1 0 312.326 -0.530 20 0 DBADRM C[C@H](CCCO)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001573579787 1026595307 /nfs/dbraw/zinc/59/53/07/1026595307.db2.gz KOJAPIUWNCFQMK-GHMZBOCLSA-N -1 0 315.370 -0.088 20 0 DBADRM C[C@H](NS(=O)(=O)[C@@H]1CCO[C@H]1C)c1nc(C(=O)[O-])n[nH]1 ZINC001573580358 1026595503 /nfs/dbraw/zinc/59/55/03/1026595503.db2.gz ZNINISUZYURPGB-LYFYHCNISA-N -1 0 304.328 -0.339 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)Nc1ncc(CC(=O)[O-])s1 ZINC001573578992 1026595592 /nfs/dbraw/zinc/59/55/92/1026595592.db2.gz PBXYFVUQNPUEFD-RXMQYKEDSA-N -1 0 307.353 -0.354 20 0 DBADRM C[C@@](O)(CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-] ZINC001573581117 1026595742 /nfs/dbraw/zinc/59/57/42/1026595742.db2.gz IFKSZPJQCZFAJG-QIOHGKGESA-N -1 0 301.217 -0.716 20 0 DBADRM C[C@@H](CCO)CCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001573579262 1026595768 /nfs/dbraw/zinc/59/57/68/1026595768.db2.gz HJBOETSRSMNQCO-SNVBAGLBSA-N -1 0 321.395 -0.209 20 0 DBADRM C[C@H](NS(=O)(=O)N=[S@](C)(=O)N(C)C)[C@H](C)C(=O)[O-] ZINC001573578752 1026595949 /nfs/dbraw/zinc/59/59/49/1026595949.db2.gz MDGOIKKCKJHKQV-OLIMHSOTSA-N -1 0 301.390 -0.496 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])nn1 ZINC001573581230 1026595974 /nfs/dbraw/zinc/59/59/74/1026595974.db2.gz JHOBOOWYNWTKKJ-LPEHRKFASA-N -1 0 312.326 -0.530 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001573578309 1026596125 /nfs/dbraw/zinc/59/61/25/1026596125.db2.gz CDVBEBHSMWTMLN-YIZRAAEISA-N -1 0 308.356 -0.937 20 0 DBADRM C[C@](O)(CNS(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1)C(=O)[O-] ZINC001573579640 1026596615 /nfs/dbraw/zinc/59/66/15/1026596615.db2.gz AHIRYVRVWLREFD-FOGDFJRCSA-N -1 0 307.368 -0.301 20 0 DBADRM C[C@@H](O)[C@H](O)CNC(=O)Nc1c(C(=O)[O-])nc2ccccn21 ZINC001573582972 1026597584 /nfs/dbraw/zinc/59/75/84/1026597584.db2.gz QEFGEYLQMRZABR-HTQZYQBOSA-N -1 0 308.294 -0.104 20 0 DBADRM C[C@H](Oc1ccccn1)C(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573590047 1026597655 /nfs/dbraw/zinc/59/76/55/1026597655.db2.gz MYKRZDHHKQVIKO-DCAQKATOSA-N -1 0 309.322 -0.064 20 0 DBADRM C[C@H](CNC(=O)CCOC(=O)CNC(=O)C(C)(C)C)C(=O)[O-] ZINC001573592431 1026597713 /nfs/dbraw/zinc/59/77/13/1026597713.db2.gz YKBLQLUKHULVHZ-SECBINFHSA-N -1 0 316.354 -0.081 20 0 DBADRM C[C@@H](CN(C)C(=O)c1nc2ncc(CCO)cn2n1)C(=O)[O-] ZINC001573588454 1026598019 /nfs/dbraw/zinc/59/80/19/1026598019.db2.gz METMTIAZGHCYNH-QMMMGPOBSA-N -1 0 307.310 -0.548 20 0 DBADRM C[C@@H](O)[C@H](O)CN1CCN(c2nc(C(=O)[O-])cs2)CC1 ZINC001573583298 1026598074 /nfs/dbraw/zinc/59/80/74/1026598074.db2.gz SNJQAAVYANMRNL-PSASIEDQSA-N -1 0 301.368 -0.295 20 0 DBADRM C[C@H](Sc1nc(CC(=O)NCC(=O)[O-])cs1)C(N)=O ZINC001573590454 1026598632 /nfs/dbraw/zinc/59/86/32/1026598632.db2.gz QWDFDKABCZNSBV-YFKPBYRVSA-N -1 0 303.365 -0.148 20 0 DBADRM C[C@](O)(CNC(=O)c1ccc(Cc2nnc[nH]2)cc1)C(=O)[O-] ZINC001573581772 1026598829 /nfs/dbraw/zinc/59/88/29/1026598829.db2.gz KOODFEATTHKSJC-AWEZNQCLSA-N -1 0 304.306 -0.039 20 0 DBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCO[C@](C)(C(=O)[O-])C1 ZINC001573600280 1026600737 /nfs/dbraw/zinc/60/07/37/1026600737.db2.gz CERWFKWWYJACMP-SDBXPKJASA-N -1 0 301.343 -0.229 20 0 DBADRM C[C@]1(C(=O)[O-])CN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CCO1 ZINC001573606827 1026601492 /nfs/dbraw/zinc/60/14/92/1026601492.db2.gz YLNIDQQFHLKEAN-GIPNMCIBSA-N -1 0 310.310 -0.710 20 0 DBADRM CC1(C)[C@H](CS(=O)(=O)N(CC(N)=O)CC(=O)[O-])C1(F)F ZINC001573606774 1026601505 /nfs/dbraw/zinc/60/15/05/1026601505.db2.gz WOECFILRBCXPPD-LURJTMIESA-N -1 0 314.310 -0.521 20 0 DBADRM CC1(C)CN(S(=O)(=O)NC2(CC(=O)[O-])COC2)CCO1 ZINC001573613081 1026602044 /nfs/dbraw/zinc/60/20/44/1026602044.db2.gz MOEXFTZOBKALRP-UHFFFAOYSA-N -1 0 308.356 -0.825 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(C(=O)c2cccnc2OCCO)CCO1 ZINC001573606073 1026602166 /nfs/dbraw/zinc/60/21/66/1026602166.db2.gz IOMZXWGCFUQXCV-AWEZNQCLSA-N -1 0 310.306 -0.232 20 0 DBADRM CC1(C)[C@@H](CS(=O)(=O)N(CC(N)=O)CC(=O)[O-])C1(F)F ZINC001573606775 1026602252 /nfs/dbraw/zinc/60/22/52/1026602252.db2.gz WOECFILRBCXPPD-ZCFIWIBFSA-N -1 0 314.310 -0.521 20 0 DBADRM C[C@]1(NC(=O)NCCc2nc(C(=O)[O-])cs2)CCNC1=O ZINC001573621930 1026603030 /nfs/dbraw/zinc/60/30/30/1026603030.db2.gz CEYGFELGKDJELA-LBPRGKRZSA-N -1 0 312.351 -0.038 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CSC[C@@H]1C(=O)[O-] ZINC001573626427 1026604237 /nfs/dbraw/zinc/60/42/37/1026604237.db2.gz PQUKJLVXXKYIFR-MRVPVSSYSA-N -1 0 319.364 -0.493 20 0 DBADRM CC1(CC(=O)N2CCN(c3nc(N)nc(C(=O)[O-])n3)CC2)CC1 ZINC001573620394 1026604444 /nfs/dbraw/zinc/60/44/44/1026604444.db2.gz VHVFSBYBTYTNND-UHFFFAOYSA-N -1 0 320.353 -0.009 20 0 DBADRM C[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)C(=O)N1CCCC[C@@H]1C ZINC001573626210 1026604631 /nfs/dbraw/zinc/60/46/31/1026604631.db2.gz ZCZNAUSNTDLKTE-UWVGGRQHSA-N -1 0 323.353 -0.118 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)C1(NC(N)=O)CC1 ZINC001573654125 1026608035 /nfs/dbraw/zinc/60/80/35/1026608035.db2.gz GUFOBJMGNXGJMI-SSDOTTSWSA-N -1 0 307.310 -0.487 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)c1nccnc1N ZINC001573655394 1026608466 /nfs/dbraw/zinc/60/84/66/1026608466.db2.gz UZBHGGNFILCBRP-SSDOTTSWSA-N -1 0 302.294 -0.002 20 0 DBADRM C[C@@H]1CN=C(N2CCN(C(=O)[C@H](O)CC(=O)[O-])CC2)S1 ZINC001573653785 1026608843 /nfs/dbraw/zinc/60/88/43/1026608843.db2.gz CRZSRSCLPJLIJR-RKDXNWHRSA-N -1 0 301.368 -0.543 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)[C@H](O)c1cnn(C)c1 ZINC001573653861 1026609226 /nfs/dbraw/zinc/60/92/26/1026609226.db2.gz DPQFFMLLVYRWJY-PRHODGIISA-N -1 0 319.321 -0.221 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CC(NS(N)(=O)=O)C1 ZINC001573656458 1026609489 /nfs/dbraw/zinc/60/94/89/1026609489.db2.gz YFNGLLUTFVMASW-UHFFFAOYSA-N -1 0 319.383 -0.873 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001573701604 1026622157 /nfs/dbraw/zinc/62/21/57/1026622157.db2.gz ZFJUTTKOZPEGNV-TUAOUCFPSA-N -1 0 309.322 -0.401 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001573724177 1026622257 /nfs/dbraw/zinc/62/22/57/1026622257.db2.gz FVUWJYNVNIHFPR-RKDXNWHRSA-N -1 0 313.397 -0.406 20 0 DBADRM CC[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])N1CCO[C@H](CC)C1 ZINC001573723373 1026622783 /nfs/dbraw/zinc/62/27/83/1026622783.db2.gz WWFUBYMTEHGCGQ-SUNKGSAMSA-N -1 0 302.371 -0.172 20 0 DBADRM CC[C@@H](CNS(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)OC ZINC001573700785 1026623348 /nfs/dbraw/zinc/62/33/48/1026623348.db2.gz XPSIBTXZCIKDRQ-LURJTMIESA-N -1 0 305.312 -0.415 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NC[C@@H](CO)[C@H]1CCOC1 ZINC001573724062 1026623562 /nfs/dbraw/zinc/62/35/62/1026623562.db2.gz CTWYUPVPSHOXQA-GARJFASQSA-N -1 0 309.384 -0.196 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N2CCO[C@](C)(C(=O)[O-])C2)nn1 ZINC001573710160 1026623963 /nfs/dbraw/zinc/62/39/63/1026623963.db2.gz VUSSWKLECFHLJN-ZANVPECISA-N -1 0 312.326 -0.635 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NCC(=O)N1CCOCC1 ZINC001573724812 1026624906 /nfs/dbraw/zinc/62/49/06/1026624906.db2.gz RZIMAKDPVUJMTG-VIFPVBQESA-N -1 0 308.356 -0.982 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N1CC[C@@](O)(C(=O)OC)C1 ZINC001573724320 1026625139 /nfs/dbraw/zinc/62/51/39/1026625139.db2.gz IKKGFWSTJWPJRR-KWQFWETISA-N -1 0 309.340 -0.821 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@@](C)(COC)C(=O)OC ZINC001573724396 1026625282 /nfs/dbraw/zinc/62/52/82/1026625282.db2.gz JRZVFNKMKNYZEB-KCJUWKMLSA-N -1 0 311.356 -0.263 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573733205 1026625336 /nfs/dbraw/zinc/62/53/36/1026625336.db2.gz FZEBGWNUTVWSDK-LPEHRKFASA-N -1 0 316.358 -0.700 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001573724296 1026625380 /nfs/dbraw/zinc/62/53/80/1026625380.db2.gz IFVBOQVDQFARDK-MRVPVSSYSA-N -1 0 319.339 -0.841 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N1CC[C@H](NC(=O)NC)C1 ZINC001573724346 1026625666 /nfs/dbraw/zinc/62/56/66/1026625666.db2.gz IYPGUUZDGCGCDS-IUCAKERBSA-N -1 0 307.372 -0.427 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NCCn1ccc(=O)[nH]c1=O ZINC001573724523 1026625918 /nfs/dbraw/zinc/62/59/18/1026625918.db2.gz MLCWZBDRVVGMEK-MRVPVSSYSA-N -1 0 319.339 -0.878 20 0 DBADRM CCC[C@@H](O)[C@@H](CO)NC(=O)NCc1cc(C(=O)[O-])no1 ZINC001573732925 1026625964 /nfs/dbraw/zinc/62/59/64/1026625964.db2.gz AKGDUYMWTRFNLE-NXEZZACHSA-N -1 0 301.299 -0.306 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)NCCn1cnc(C(=O)[O-])c1 ZINC001573733553 1026626889 /nfs/dbraw/zinc/62/68/89/1026626889.db2.gz MBVGBHOGPUMCGE-VIFPVBQESA-N -1 0 311.342 -0.075 20 0 DBADRM CCCN(Cc1nnc2c(=O)[nH]ccn12)[C@@H](COC)C(=O)[O-] ZINC001573760670 1026627038 /nfs/dbraw/zinc/62/70/38/1026627038.db2.gz SOLFUXNKZKCCND-VIFPVBQESA-N -1 0 309.326 -0.271 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C ZINC001573757524 1026627264 /nfs/dbraw/zinc/62/72/64/1026627264.db2.gz DMGDMZHXXQZRMG-VHSXEESVSA-N -1 0 315.370 -0.286 20 0 DBADRM CCCN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@H](CC)C(=O)[O-] ZINC001573743743 1026627278 /nfs/dbraw/zinc/62/72/78/1026627278.db2.gz HDLUYIITMHKWDY-DTWKUNHWSA-N -1 0 320.367 -0.999 20 0 DBADRM CCCNC(=O)[C@H](C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573759426 1026627518 /nfs/dbraw/zinc/62/75/18/1026627518.db2.gz FNXZLSWXZGGUTF-ZETCQYMHSA-N -1 0 318.355 -0.391 20 0 DBADRM CCCN([C@H](C)C(=O)[O-])S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001573750801 1026628090 /nfs/dbraw/zinc/62/80/90/1026628090.db2.gz ICVQIIFTMUWGBA-NTCNTBNZSA-N -1 0 315.417 -0.009 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C ZINC001573757526 1026628354 /nfs/dbraw/zinc/62/83/54/1026628354.db2.gz DMGDMZHXXQZRMG-ZJUUUORDSA-N -1 0 315.370 -0.286 20 0 DBADRM CCCCn1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(C)n1 ZINC001573741667 1026628574 /nfs/dbraw/zinc/62/85/74/1026628574.db2.gz BJJNFKXDUXADSC-SECBINFHSA-N -1 0 305.356 -0.285 20 0 DBADRM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H](OC)C(=O)[O-] ZINC001573776604 1026630794 /nfs/dbraw/zinc/63/07/94/1026630794.db2.gz OGAVHMJCSFAJHT-XHNCKOQMSA-N -1 0 304.368 -0.098 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@H](NC(=O)C1CCCC1)[C@@H](C)O ZINC001573769938 1026630376 /nfs/dbraw/zinc/63/03/76/1026630376.db2.gz IZIUAIWNMIYINK-BXKDBHETSA-N -1 0 300.355 -0.025 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C ZINC001573769592 1026630533 /nfs/dbraw/zinc/63/05/33/1026630533.db2.gz CLRKMLLVEOPUOO-SECBINFHSA-N -1 0 301.343 -0.674 20 0 DBADRM CCN(CC(N)=O)Cc1cn(CC(=O)[O-])nc1-c1cnn(C)c1 ZINC001573769267 1026630989 /nfs/dbraw/zinc/63/09/89/1026630989.db2.gz JRAXHWRLPJPNTO-UHFFFAOYSA-N -1 0 320.353 -0.325 20 0 DBADRM CCOC(=O)C1(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC001573785020 1026631686 /nfs/dbraw/zinc/63/16/86/1026631686.db2.gz OUQAGUVKSFMLIW-VIFPVBQESA-N -1 0 320.367 -0.287 20 0 DBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001573778762 1026632316 /nfs/dbraw/zinc/63/23/16/1026632316.db2.gz QLKVQLSANAMHBR-QMMMGPOBSA-N -1 0 304.343 -0.742 20 0 DBADRM CCNS(=O)(=O)N1CCC(n2cnc(C(=O)[O-])c2N)CC1 ZINC001573781924 1026632351 /nfs/dbraw/zinc/63/23/51/1026632351.db2.gz LSWMHEVDZIMZCO-UHFFFAOYSA-N -1 0 317.371 -0.345 20 0 DBADRM CCNC(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001573778408 1026632464 /nfs/dbraw/zinc/63/24/64/1026632464.db2.gz VNRMMARMODQAFZ-OLZOCXBDSA-N -1 0 309.322 -0.399 20 0 DBADRM CCOC(=O)NCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001573788204 1026634068 /nfs/dbraw/zinc/63/40/68/1026634068.db2.gz UEXCJISTOJHVDP-MNOVXSKESA-N -1 0 311.294 -0.570 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC001573786382 1026634127 /nfs/dbraw/zinc/63/41/27/1026634127.db2.gz QGZBBDPMCXAGCZ-NOZJJQNGSA-N -1 0 303.311 -0.702 20 0 DBADRM CCOC(=O)N[C@@H](C(=O)NCc1nc(C(=O)[O-])n[nH]1)C(C)C ZINC001573787806 1026634410 /nfs/dbraw/zinc/63/44/10/1026634410.db2.gz MDHCXFXQDYKYOC-MRVPVSSYSA-N -1 0 313.314 -0.110 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)NCc1nc(CC(=O)[O-])cs1 ZINC001573786061 1026634553 /nfs/dbraw/zinc/63/45/53/1026634553.db2.gz GXFVUQQQSVMAOQ-QMMMGPOBSA-N -1 0 316.335 -0.300 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N(C)[C@H](C(=O)[O-])c1cccnc1 ZINC001573786297 1026634715 /nfs/dbraw/zinc/63/47/15/1026634715.db2.gz OJUNDHRAZHAQJJ-PWSUYJOCSA-N -1 0 310.306 -0.020 20 0 DBADRM CCOC(=O)[C@]1(COC)CCCN(C(=O)[C@@H](O)CC(=O)[O-])C1 ZINC001573785994 1026635181 /nfs/dbraw/zinc/63/51/81/1026635181.db2.gz ZMCXAHRWEXZBEA-IINYFYTJSA-N -1 0 317.338 -0.360 20 0 DBADRM CC[C@H](CNC(=O)NC[C@]1(OC)CCS(=O)(=O)C1)C(=O)[O-] ZINC001573798044 1026636063 /nfs/dbraw/zinc/63/60/63/1026636063.db2.gz MHSLAOZYGOWGRU-BXKDBHETSA-N -1 0 322.383 -0.400 20 0 DBADRM CCOC(=O)c1nccc(N[C@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001573793967 1026636636 /nfs/dbraw/zinc/63/66/36/1026636636.db2.gz SYXFMMBKGMQCEK-IUCAKERBSA-N -1 0 310.310 -0.542 20 0 DBADRM CC[C@H](CNC(=O)NCc1nnc2c(=O)n(C)ccn12)C(=O)[O-] ZINC001573797930 1026636911 /nfs/dbraw/zinc/63/69/11/1026636911.db2.gz JIQNDQOVSKBWLC-MRVPVSSYSA-N -1 0 322.325 -0.662 20 0 DBADRM CC[C@@H](CNC(=O)NC[C@]1(CO)COCCN1C)C(=O)[O-] ZINC001573797849 1026637193 /nfs/dbraw/zinc/63/71/93/1026637193.db2.gz GRZVAJIWLIYTKI-GWCFXTLKSA-N -1 0 303.359 -0.911 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001573806971 1026638600 /nfs/dbraw/zinc/63/86/00/1026638600.db2.gz AGFGDRWBFNJFQX-RKDXNWHRSA-N -1 0 308.356 -0.936 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@H]([C@H](F)C(=O)[O-])C1 ZINC001573807346 1026639230 /nfs/dbraw/zinc/63/92/30/1026639230.db2.gz HOZBAFCVPJYQRQ-WPRPVWTQSA-N -1 0 310.347 -0.461 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-] ZINC001573807433 1026639525 /nfs/dbraw/zinc/63/95/25/1026639525.db2.gz LJUHCVRWVVLAPA-NGZCFLSTSA-N -1 0 304.368 -0.268 20 0 DBADRM CCC/C=C\[C@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001573841552 1026641115 /nfs/dbraw/zinc/64/11/15/1026641115.db2.gz WJIUOQNDIFNNFU-NDVXOHMPSA-N -1 0 305.352 -0.586 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001573829402 1026641147 /nfs/dbraw/zinc/64/11/47/1026641147.db2.gz VSCAAYMXRRPBGZ-CYBMUJFWSA-N -1 0 304.343 -0.339 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001573831613 1026641328 /nfs/dbraw/zinc/64/13/28/1026641328.db2.gz DWJQPOSCRRTBPH-NXEZZACHSA-N -1 0 323.367 -0.167 20 0 DBADRM CCn1cc(CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)cn1 ZINC001573847177 1026641479 /nfs/dbraw/zinc/64/14/79/1026641479.db2.gz IPQKWAOPRPIPGQ-QWRGUYRKSA-N -1 0 311.342 -0.327 20 0 DBADRM CN(C(=O)NCc1cc(C(=O)[O-])no1)[C@H]1CCS(=O)(=O)C1 ZINC001573852132 1026643357 /nfs/dbraw/zinc/64/33/57/1026643357.db2.gz HKIYZMFSIGLJEL-ZETCQYMHSA-N -1 0 317.323 -0.299 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)Cc1nnc[nH]1 ZINC001573864696 1026644832 /nfs/dbraw/zinc/64/48/32/1026644832.db2.gz LGWRCKBMMUYXNR-UHFFFAOYSA-N -1 0 309.326 -0.871 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC001573864013 1026645321 /nfs/dbraw/zinc/64/53/21/1026645321.db2.gz QUHYZKUVYVXEKH-VIIUKITBSA-N -1 0 314.389 -0.853 20 0 DBADRM C[N@H+](CC(=O)N1CCC(C(=O)[O-])CC1)C[C@]1(O)CCCOC1 ZINC001573864499 1026645492 /nfs/dbraw/zinc/64/54/92/1026645492.db2.gz HETWXEVYQCDMDJ-OAHLLOKOSA-N -1 0 314.382 -0.217 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NCc1[nH]cnc1C(=O)[O-] ZINC001573864382 1026645788 /nfs/dbraw/zinc/64/57/88/1026645788.db2.gz AITMWMXSZLLWNI-UHFFFAOYSA-N -1 0 318.355 -0.447 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@H](CC(=O)[O-])c1ccncc1 ZINC001573863673 1026645821 /nfs/dbraw/zinc/64/58/21/1026645821.db2.gz INIDRAAAIZQILJ-SNVBAGLBSA-N -1 0 315.351 -0.395 20 0 DBADRM CN(CCS(N)(=O)=O)Cc1cnc2c(C(=O)[O-])cnn2c1 ZINC001573872952 1026647583 /nfs/dbraw/zinc/64/75/83/1026647583.db2.gz QGOOCPASASPZGS-UHFFFAOYSA-N -1 0 313.339 -0.852 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001573865358 1026647646 /nfs/dbraw/zinc/64/76/46/1026647646.db2.gz VEEMVLNRBBEUBL-UHFFFAOYSA-N -1 0 300.292 -0.277 20 0 DBADRM CN(CC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccnc1)C(=O)C1CC1 ZINC001573865350 1026647746 /nfs/dbraw/zinc/64/77/46/1026647746.db2.gz VDRHNQOSGRCMLO-OLZOCXBDSA-N -1 0 321.333 -0.447 20 0 DBADRM CN(CCNC(=O)CC(C)(C)C(=O)[O-])CCS(C)(=O)=O ZINC001573872985 1026648263 /nfs/dbraw/zinc/64/82/63/1026648263.db2.gz QRMBGYJZKMDERY-UHFFFAOYSA-N -1 0 308.400 -0.420 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccncc1 ZINC001573882668 1026650801 /nfs/dbraw/zinc/65/08/01/1026650801.db2.gz LUNYGTDVZAFYGM-KGYLQXTDSA-N -1 0 321.333 -0.305 20 0 DBADRM CN(CCc1ncon1)S(=O)(=O)N1CCN(C(=O)[O-])CC1 ZINC001573876393 1026651062 /nfs/dbraw/zinc/65/10/62/1026651062.db2.gz AHELQPLASLQAON-UHFFFAOYSA-N -1 0 319.343 -0.916 20 0 DBADRM CN1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573885661 1026652030 /nfs/dbraw/zinc/65/20/30/1026652030.db2.gz STOHYBNNJBOSOJ-NXEZZACHSA-N -1 0 314.367 -0.035 20 0 DBADRM CN1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573885665 1026652732 /nfs/dbraw/zinc/65/27/32/1026652732.db2.gz STOHYBNNJBOSOJ-UWVGGRQHSA-N -1 0 314.367 -0.035 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCCC(=O)[O-] ZINC001573887606 1026652856 /nfs/dbraw/zinc/65/28/56/1026652856.db2.gz FDGFJBDHOZQESG-SFYZADRCSA-N -1 0 303.315 -0.783 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCN(C)[C@H](CO)C2)cc1C(=O)[O-] ZINC001573885962 1026652879 /nfs/dbraw/zinc/65/28/79/1026652879.db2.gz WXGFEKQQWSEUDB-VIFPVBQESA-N -1 0 317.367 -0.980 20 0 DBADRM CN(C(=O)CN1CCN(C)C(=O)C1)[C@@H](C(=O)[O-])c1cccnc1 ZINC001573884333 1026653248 /nfs/dbraw/zinc/65/32/48/1026653248.db2.gz CWHOAMPPIFZROT-CQSZACIVSA-N -1 0 320.349 -0.560 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001573889516 1026654339 /nfs/dbraw/zinc/65/43/39/1026654339.db2.gz PTTRZHVRIMYIMZ-BDAKNGLRSA-N -1 0 304.368 -0.172 20 0 DBADRM CNC(=O)CCn1c(C)nnc1N1CCC[C@@H](NC(=O)[O-])C1 ZINC001573890517 1026654480 /nfs/dbraw/zinc/65/44/80/1026654480.db2.gz QPFRGCCUMPCKJA-SNVBAGLBSA-N -1 0 310.358 -0.041 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)NC[C@H](C)CC(=O)[O-] ZINC001573890755 1026655135 /nfs/dbraw/zinc/65/51/35/1026655135.db2.gz WXRHOZCVGOZOIW-NXEZZACHSA-N -1 0 316.358 -0.563 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)N[C@H](C)CCC(=O)[O-] ZINC001573890154 1026655234 /nfs/dbraw/zinc/65/52/34/1026655234.db2.gz IWIVLNMLOYZOIL-NXEZZACHSA-N -1 0 316.358 -0.421 20 0 DBADRM CNC(=O)NCCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001573890610 1026655267 /nfs/dbraw/zinc/65/52/67/1026655267.db2.gz UZEZPEPCHOYNAL-QWRGUYRKSA-N -1 0 310.310 -0.997 20 0 DBADRM CNC(=O)NCCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001573890609 1026655337 /nfs/dbraw/zinc/65/53/37/1026655337.db2.gz UZEZPEPCHOYNAL-MNOVXSKESA-N -1 0 310.310 -0.997 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)c1cc(C(=O)[O-])no1 ZINC001573889985 1026655456 /nfs/dbraw/zinc/65/54/56/1026655456.db2.gz GHAKMWGIRBYQOQ-ZETCQYMHSA-N -1 0 312.282 -0.857 20 0 DBADRM CNC(=O)N[C@H]1CCCN(C(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC001573889965 1026655754 /nfs/dbraw/zinc/65/57/54/1026655754.db2.gz FFJOYTPDZLVJTM-DTWKUNHWSA-N -1 0 316.383 -0.041 20 0 DBADRM CCOC(=O)[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1CC1 ZINC001573890730 1026655867 /nfs/dbraw/zinc/65/58/67/1026655867.db2.gz MSDVGNGHTFZLBT-UWVGGRQHSA-N -1 0 320.367 -0.289 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001573897035 1026656824 /nfs/dbraw/zinc/65/68/24/1026656824.db2.gz VNDDQKOOALBUBS-UHFFFAOYSA-N -1 0 310.314 -0.071 20 0 DBADRM CCOC(=O)C[C@@H](O)CN1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001573894924 1026657739 /nfs/dbraw/zinc/65/77/39/1026657739.db2.gz PJPGLRYQAGHWQO-MFKMUULPSA-N -1 0 305.327 -0.898 20 0 DBADRM CCOC(=O)C(NC(=O)c1cc(C(=O)[O-])n[nH]1)C(=O)OCC ZINC001573891205 1026658268 /nfs/dbraw/zinc/65/82/68/1026658268.db2.gz WYAOEQRYBOUIIK-UHFFFAOYSA-N -1 0 313.266 -0.668 20 0 DBADRM CNc1nnc(CC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)s1 ZINC001573910712 1026659050 /nfs/dbraw/zinc/65/90/50/1026659050.db2.gz STDKJVUCHIJPJV-RQJHMYQMSA-N -1 0 315.355 -0.791 20 0 DBADRM CNS(=O)(=O)CCNc1cc(CCC(=O)[O-])nc(C)n1 ZINC001573910523 1026659292 /nfs/dbraw/zinc/65/92/92/1026659292.db2.gz ORJMAWSFWJBCAO-UHFFFAOYSA-N -1 0 302.356 -0.237 20 0 DBADRM COC(=O)C1(O)CN(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC001573914630 1026661515 /nfs/dbraw/zinc/66/15/15/1026661515.db2.gz ABHBGYGKKSHCPX-UHFFFAOYSA-N -1 0 300.311 -0.441 20 0 DBADRM COC(=O)CN(C)CCNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001573921183 1026662788 /nfs/dbraw/zinc/66/27/88/1026662788.db2.gz BHVHDTLQRGIWPP-UHFFFAOYSA-N -1 0 308.356 -0.982 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001573915023 1026662939 /nfs/dbraw/zinc/66/29/39/1026662939.db2.gz DXHJBJOQYIDOEQ-RKDXNWHRSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)[C@H]1CN(C)C(=O)CN1Cc1cnc(C(=O)[O-])s1 ZINC001573915251 1026663394 /nfs/dbraw/zinc/66/33/94/1026663394.db2.gz UAYNZKMYIVXNDE-MRVPVSSYSA-N -1 0 313.335 -0.343 20 0 DBADRM COC(=O)C1CC2(C1)C[C@H](NC(=O)CNC(=O)[O-])CCO2 ZINC001573916420 1026663525 /nfs/dbraw/zinc/66/35/25/1026663525.db2.gz REEZOFSHAWNLGS-XQVHRTOBSA-N -1 0 300.311 -0.129 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NCc2[nH]cnc2C(=O)[O-])CC1 ZINC001573915026 1026663962 /nfs/dbraw/zinc/66/39/62/1026663962.db2.gz DYYUELZSDCGWRJ-UHFFFAOYSA-N -1 0 317.323 -0.520 20 0 DBADRM COC(=O)C1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001573916798 1026663969 /nfs/dbraw/zinc/66/39/69/1026663969.db2.gz YTUJIOZBEHLNAS-UHFFFAOYSA-N -1 0 320.367 -0.429 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001573929125 1026667069 /nfs/dbraw/zinc/66/70/69/1026667069.db2.gz RVHCQUVSIJWHHW-ZJUUUORDSA-N -1 0 322.383 -0.688 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573935088 1026667145 /nfs/dbraw/zinc/66/71/45/1026667145.db2.gz KTGHHZSMZNDGKW-RGOKHQFPSA-N -1 0 315.326 -0.935 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1CC([C@@H](F)C(=O)[O-])C1 ZINC001573935102 1026667233 /nfs/dbraw/zinc/66/72/33/1026667233.db2.gz LHAIKOMWTXHUHC-SZEHBUNVSA-N -1 0 318.301 -0.371 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573935087 1026667535 /nfs/dbraw/zinc/66/75/35/1026667535.db2.gz KTGHHZSMZNDGKW-KYXWUPHJSA-N -1 0 315.326 -0.935 20 0 DBADRM COC(=O)[C@@H](NC(=O)CC1(C(=O)[O-])CCOCC1)[C@@H](C)O ZINC001573928066 1026667621 /nfs/dbraw/zinc/66/76/21/1026667621.db2.gz OKGPEMPWLMJWEW-SCZZXKLOSA-N -1 0 303.311 -0.704 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC001573934776 1026667739 /nfs/dbraw/zinc/66/77/39/1026667739.db2.gz BIQGXRJRRFONOK-HRDYMLBCSA-N -1 0 318.351 -0.266 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)NC[C@](C)(O)C(=O)[O-])C1 ZINC001573930190 1026667756 /nfs/dbraw/zinc/66/77/56/1026667756.db2.gz GMAYFFYGQQACBW-FYBVGQRMSA-N -1 0 309.340 -0.917 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1NS(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC001573930231 1026668058 /nfs/dbraw/zinc/66/80/58/1026668058.db2.gz IDEYHVZGLJUSDK-ZJUUUORDSA-N -1 0 320.367 0.000 20 0 DBADRM CO[C@]1(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001573949555 1026673854 /nfs/dbraw/zinc/67/38/54/1026673854.db2.gz SPOZLAMJNIRUTG-GZMMTYOYSA-N -1 0 306.340 -0.941 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N[C@H]2CCN(C(=O)[O-])C2)C[C@H]1C ZINC001573935179 1026669232 /nfs/dbraw/zinc/66/92/32/1026669232.db2.gz OUYFOKJOOWONQU-UTINFBMNSA-N -1 0 300.311 -0.179 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001573935708 1026669282 /nfs/dbraw/zinc/66/92/82/1026669282.db2.gz YYYLFEKQEIIYAG-ZRUFSTJUSA-N -1 0 308.290 -0.507 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001573937654 1026669345 /nfs/dbraw/zinc/66/93/45/1026669345.db2.gz CALJKYAZKJYGOX-SSDOTTSWSA-N -1 0 317.323 -0.318 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573966321 1026677397 /nfs/dbraw/zinc/67/73/97/1026677397.db2.gz HQJKRFQKINLWKR-SGIHWFKDSA-N -1 0 305.352 -0.585 20 0 DBADRM COC(=O)c1cc(C)nc(N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001573939114 1026669806 /nfs/dbraw/zinc/66/98/06/1026669806.db2.gz TVABYAZNXXDCFZ-WCBMZHEXSA-N -1 0 310.310 -0.046 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2CCN(C(=O)[O-])C2)n[nH]1 ZINC001573940728 1026669821 /nfs/dbraw/zinc/66/98/21/1026669821.db2.gz NDFIHMSWPOVCRF-LURJTMIESA-N -1 0 318.311 -0.773 20 0 DBADRM COC(=O)c1cc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)nn1C ZINC001573938080 1026669945 /nfs/dbraw/zinc/66/99/45/1026669945.db2.gz JCGZYBGRNDXNDY-MRVPVSSYSA-N -1 0 312.282 -0.476 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001573941744 1026671000 /nfs/dbraw/zinc/67/10/00/1026671000.db2.gz JFXJCFJYKIMNMG-SSDOTTSWSA-N -1 0 317.323 -0.318 20 0 DBADRM COC(=O)c1cn(CCNC(=O)CCCN(C)C(=O)[O-])nn1 ZINC001573942164 1026671027 /nfs/dbraw/zinc/67/10/27/1026671027.db2.gz QKXAGUZODMRXFR-UHFFFAOYSA-N -1 0 313.314 -0.429 20 0 DBADRM COC(=O)c1cn(CC(=O)N(CCC(=O)[O-])CC2CC2)nn1 ZINC001573941042 1026671169 /nfs/dbraw/zinc/67/11/69/1026671169.db2.gz BABIYSPAOHPMAJ-UHFFFAOYSA-N -1 0 310.310 -0.222 20 0 DBADRM CO[C@]1(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)CCS(=O)(=O)C1 ZINC001573947691 1026671181 /nfs/dbraw/zinc/67/11/81/1026671181.db2.gz AVRWYKSUNZKETK-BSTOTGJRSA-N -1 0 317.363 -0.631 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2CCC[C@@H](NC(=O)[O-])C2)n1 ZINC001573942052 1026671502 /nfs/dbraw/zinc/67/15/02/1026671502.db2.gz NTLRKTFLTROJRC-SECBINFHSA-N -1 0 310.310 -0.072 20 0 DBADRM COC(=O)c1cccn(CC(=O)NC[C@@H](C)CC(=O)[O-])c1=O ZINC001573943647 1026671536 /nfs/dbraw/zinc/67/15/36/1026671536.db2.gz YOIQLUQYUAWGGD-VIFPVBQESA-N -1 0 310.306 -0.138 20 0 DBADRM COC(=O)c1coc(CNS(=O)(=O)C2(C(=O)[O-])CCC2)n1 ZINC001573947318 1026672252 /nfs/dbraw/zinc/67/22/52/1026672252.db2.gz CGRZVOPITQZVJN-UHFFFAOYSA-N -1 0 318.307 -0.112 20 0 DBADRM COC(=O)c1cccn(CC(=O)NC[C@H](C)CC(=O)[O-])c1=O ZINC001573943646 1026672423 /nfs/dbraw/zinc/67/24/23/1026672423.db2.gz YOIQLUQYUAWGGD-SECBINFHSA-N -1 0 310.306 -0.138 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-] ZINC001573942839 1026672439 /nfs/dbraw/zinc/67/24/39/1026672439.db2.gz UGOJDXORLBYUCY-NTSWFWBYSA-N -1 0 305.312 -0.416 20 0 DBADRM COC1(C(=O)Nc2cc(C(=O)[O-])cnc2C)CS(=O)(=O)C1 ZINC001573948268 1026673181 /nfs/dbraw/zinc/67/31/81/1026673181.db2.gz IRSZVNVCYRSBBK-UHFFFAOYSA-N -1 0 314.319 -0.160 20 0 DBADRM CO[C@H](C(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO)c1cnn(C)c1 ZINC001573948451 1026673205 /nfs/dbraw/zinc/67/32/05/1026673205.db2.gz RYSSHOCDQORQHU-AXFHLTTASA-N -1 0 312.326 -0.806 20 0 DBADRM COC1(C(=O)Nc2nc(C)c(C(=O)[O-])s2)CS(=O)(=O)C1 ZINC001573948192 1026673777 /nfs/dbraw/zinc/67/37/77/1026673777.db2.gz HJXICURRFWKXGM-UHFFFAOYSA-N -1 0 320.348 -0.098 20 0 DBADRM CO[C@]1(C(=O)N2CC([C@@H](F)C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001573949471 1026673977 /nfs/dbraw/zinc/67/39/77/1026673977.db2.gz QQFTXRKNCFAYSN-LDYMZIIASA-N -1 0 309.315 -0.929 20 0 DBADRM CN(C(=O)NCCOCCOCC(=O)[O-])[C@@H]1CCC[C@H]1O ZINC001573979597 1026684054 /nfs/dbraw/zinc/68/40/54/1026684054.db2.gz LCQWIEYWYPYWSW-GHMZBOCLSA-N -1 0 304.343 -0.341 20 0 DBADRM CO[C@@H]1CN(C(=O)Nc2ccn(CC(=O)[O-])n2)[C@@](C)(CO)C1 ZINC001573957403 1026675060 /nfs/dbraw/zinc/67/50/60/1026675060.db2.gz QSGOATLGNQFERA-TVQRCGJNSA-N -1 0 312.326 -0.029 20 0 DBADRM COC[C@@H](CS(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])OC ZINC001573969118 1026679199 /nfs/dbraw/zinc/67/91/99/1026679199.db2.gz RJUUNQBMCXFUOR-VLEAKVRGSA-N -1 0 307.368 -0.085 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(C(=O)NC[C@H]2CNC(=O)C2)C1 ZINC001573969277 1026679619 /nfs/dbraw/zinc/67/96/19/1026679619.db2.gz UCQMUBFIKBBRQF-YGRLFVJLSA-N -1 0 313.354 -0.355 20 0 DBADRM COC[C@H](CCNC(=O)Nc1ncn(CC(=O)[O-])n1)OC ZINC001573969727 1026680229 /nfs/dbraw/zinc/68/02/29/1026680229.db2.gz YBWOBCILAPIMGW-QMMMGPOBSA-N -1 0 301.303 -0.464 20 0 DBADRM COC[C@@H](O)CN1CCN(c2nc(C(=O)[O-])cs2)CC1 ZINC001573969773 1026681423 /nfs/dbraw/zinc/68/14/23/1026681423.db2.gz ZHFXJKTUCQYAAX-VIFPVBQESA-N -1 0 301.368 -0.029 20 0 DBADRM COC[C@H](NC(=O)[C@@](C)(O)Cn1c(C)cccc1=O)C(=O)[O-] ZINC001573986063 1026685529 /nfs/dbraw/zinc/68/55/29/1026685529.db2.gz RGARUIPQLSJKSL-HZMBPMFUSA-N -1 0 312.322 -0.876 20 0 DBADRM COC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)C(=O)[O-] ZINC001573990737 1026686181 /nfs/dbraw/zinc/68/61/81/1026686181.db2.gz LBNOIPABYMHGMF-VIFPVBQESA-N -1 0 320.298 -0.698 20 0 DBADRM CO[C@@H]1CN([C@H](C)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C[C@H]1O ZINC001573992010 1026686236 /nfs/dbraw/zinc/68/62/36/1026686236.db2.gz BUXFPZVCRQEOJS-DDHJBXDOSA-N -1 0 300.355 -0.610 20 0 DBADRM COCc1ccc(C(=O)OC)cc1S(=O)(=O)NCC(=O)[O-] ZINC001573990253 1026686469 /nfs/dbraw/zinc/68/64/69/1026686469.db2.gz AOPJFILVIQNDKC-UHFFFAOYSA-N -1 0 317.319 -0.018 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573986593 1026686615 /nfs/dbraw/zinc/68/66/15/1026686615.db2.gz YXSPYWMMAKVFCY-JGVFFNPUSA-N -1 0 319.339 -0.813 20 0 DBADRM COCc1cncc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)c1 ZINC001573993223 1026687926 /nfs/dbraw/zinc/68/79/26/1026687926.db2.gz OQYBFOIJCIFJPE-VXGBXAGGSA-N -1 0 309.322 -0.072 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001573998900 1026688001 /nfs/dbraw/zinc/68/80/01/1026688001.db2.gz KBBUOFGPRVWDQJ-QJPTWQEYSA-N -1 0 300.355 -0.751 20 0 DBADRM COc1cc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)n(C)n1 ZINC001574025851 1026689768 /nfs/dbraw/zinc/68/97/68/1026689768.db2.gz CIUWFAHVZULELU-JGVFFNPUSA-N -1 0 313.314 -0.479 20 0 DBADRM CN(CCCNC(=O)C1CCC1)CCS(=O)(=O)CC(=O)[O-] ZINC001574012920 1026689795 /nfs/dbraw/zinc/68/97/95/1026689795.db2.gz BJTXQXPJDZWZIP-UHFFFAOYSA-N -1 0 320.411 -0.276 20 0 DBADRM COc1cc(F)c(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1F ZINC001574025832 1026689932 /nfs/dbraw/zinc/68/99/32/1026689932.db2.gz CBNXRMYLSBXPNK-SSDOTTSWSA-N -1 0 311.262 -0.303 20 0 DBADRM COc1cc(C(=O)Nc2cccn(CC(=O)[O-])c2=O)ncn1 ZINC001574012721 1026689991 /nfs/dbraw/zinc/68/99/91/1026689991.db2.gz QGYXZKWAORKPPT-UHFFFAOYSA-N -1 0 304.262 -0.016 20 0 DBADRM CN1CC[C@@H](C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)CC1=O ZINC001574021813 1026690191 /nfs/dbraw/zinc/69/01/91/1026690191.db2.gz FGVCOGBTNFODCH-MRVPVSSYSA-N -1 0 322.321 -0.082 20 0 DBADRM COc1cc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)nn1C ZINC001574012750 1026690824 /nfs/dbraw/zinc/69/08/24/1026690824.db2.gz RTDBPMISDCMLGK-NEPJUHHUSA-N -1 0 320.305 -0.260 20 0 DBADRM COc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)cc1=O ZINC001574012331 1026691056 /nfs/dbraw/zinc/69/10/56/1026691056.db2.gz JDSHDTRCWBCKIF-IONNQARKSA-N -1 0 311.294 -0.916 20 0 DBADRM CNC(=O)Cn1nc(NCc2c(C(=O)[O-])cnn2C)cc1C ZINC001574039029 1026692357 /nfs/dbraw/zinc/69/23/57/1026692357.db2.gz MBYROQOTDJZDIW-UHFFFAOYSA-N -1 0 306.326 -0.019 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001574038604 1026692375 /nfs/dbraw/zinc/69/23/75/1026692375.db2.gz GMISIWLQLPNWEK-NHYWBVRUSA-N -1 0 320.349 -0.006 20 0 DBADRM COC(=O)[C@@H]1CC12CCN(C(=O)c1cn(CC(=O)[O-])nn1)CC2 ZINC001574044848 1026692621 /nfs/dbraw/zinc/69/26/21/1026692621.db2.gz FPUMPQHBBXPFRH-VIFPVBQESA-N -1 0 322.321 -0.222 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001574037245 1026692658 /nfs/dbraw/zinc/69/26/58/1026692658.db2.gz NMTHRRPVPQJIPH-NSHDSACASA-N -1 0 300.336 -0.214 20 0 DBADRM COc1ccc(CC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)nc1 ZINC001574031188 1026692905 /nfs/dbraw/zinc/69/29/05/1026692905.db2.gz TUQCTQFGMWGRKW-CABZTGNLSA-N -1 0 309.322 -0.280 20 0 DBADRM COc1cccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1OC ZINC001574041871 1026693024 /nfs/dbraw/zinc/69/30/24/1026693024.db2.gz SJXISBMJYMLOIX-SSDOTTSWSA-N -1 0 305.308 -0.572 20 0 DBADRM COC(=O)[C@H](COC(C)C)N(C)C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001574045120 1026693036 /nfs/dbraw/zinc/69/30/36/1026693036.db2.gz BVGLTFYAMUANES-VHSXEESVSA-N -1 0 316.310 -0.359 20 0 DBADRM COc1nnc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)s1 ZINC001574053692 1026694276 /nfs/dbraw/zinc/69/42/76/1026694276.db2.gz DIPHTPCQXNMANK-RITPCOANSA-N -1 0 317.327 -0.361 20 0 DBADRM COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001574047036 1026694420 /nfs/dbraw/zinc/69/44/20/1026694420.db2.gz NXMJEWQIGQEJGM-HBSDOPKDSA-N -1 0 314.294 -0.605 20 0 DBADRM COc1nccc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccncc2)n1 ZINC001574054064 1026694434 /nfs/dbraw/zinc/69/44/34/1026694434.db2.gz KHDWLHBKVFCSPA-QWRGUYRKSA-N -1 0 318.289 -0.203 20 0 DBADRM COc1ncnc(OC)c1C(=O)N1CCO[C@@](C)(C(=O)[O-])C1 ZINC001574053417 1026694680 /nfs/dbraw/zinc/69/46/80/1026694680.db2.gz BHCOLPAXGHBRQI-CYBMUJFWSA-N -1 0 311.294 -0.191 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)NC[C@@H](C)C(=O)[O-])C1=O ZINC001574047057 1026694805 /nfs/dbraw/zinc/69/48/05/1026694805.db2.gz JXLOUHRGTNKEPI-BDAKNGLRSA-N -1 0 300.311 -0.765 20 0 DBADRM COC(=O)C1(NC(=O)c2cn(CC(=O)[O-])nn2)CCCCC1 ZINC001574048226 1026695103 /nfs/dbraw/zinc/69/51/03/1026695103.db2.gz YUYVSWXKHLYSCJ-UHFFFAOYSA-N -1 0 310.310 -0.032 20 0 DBADRM COc1ncc(S(=O)(=O)NC2(CC(=O)[O-])COC2)s1 ZINC001574055151 1026696490 /nfs/dbraw/zinc/69/64/90/1026696490.db2.gz RTZJWRAVKPYQIE-UHFFFAOYSA-N -1 0 308.337 -0.326 20 0 DBADRM CS(=O)(=O)c1ccc(N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)nc1 ZINC001574059558 1026697976 /nfs/dbraw/zinc/69/79/76/1026697976.db2.gz OHXIWBIONSRETE-PSASIEDQSA-N -1 0 315.351 -0.132 20 0 DBADRM CS(=O)(=O)c1ccc(N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)nc1 ZINC001574059560 1026698020 /nfs/dbraw/zinc/69/80/20/1026698020.db2.gz OHXIWBIONSRETE-WCBMZHEXSA-N -1 0 315.351 -0.132 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)Nc2nc(C(=O)[O-])cs2)C1 ZINC001574059579 1026698058 /nfs/dbraw/zinc/69/80/58/1026698058.db2.gz OSWNUZJXXSCOKL-UHFFFAOYSA-N -1 0 305.337 -0.329 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001574057566 1026698063 /nfs/dbraw/zinc/69/80/63/1026698063.db2.gz QKMZORIXVBYDCC-JTQLQIEISA-N -1 0 316.335 -0.088 20 0 DBADRM CS(=O)(=O)c1cccnc1C(=O)N1CC([C@@H](F)C(=O)[O-])C1 ZINC001574059556 1026698297 /nfs/dbraw/zinc/69/82/97/1026698297.db2.gz OHAIZYKMZBBKFU-SECBINFHSA-N -1 0 316.310 -0.020 20 0 DBADRM CS(=O)(=O)NCCN1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC001574059103 1026698748 /nfs/dbraw/zinc/69/87/48/1026698748.db2.gz DEVFUWTYANZPHP-RNFRBKRXSA-N -1 0 304.290 -0.270 20 0 DBADRM CS(=O)(=O)c1ccc(NCC(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC001574059959 1026699885 /nfs/dbraw/zinc/69/98/85/1026699885.db2.gz UNIBJTHDYLBZER-JTQLQIEISA-N -1 0 316.335 -0.936 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@H](NS(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001574059968 1026700077 /nfs/dbraw/zinc/70/00/77/1026700077.db2.gz UVILYQZTKYIJQW-ZKCHVHJHSA-N -1 0 311.381 -0.511 20 0 DBADRM COC(=O)[C@@H]1CCN(CCS(=O)(=O)CC(=O)[O-])C[C@@H]1C ZINC001574076965 1026700135 /nfs/dbraw/zinc/70/01/35/1026700135.db2.gz ZQUZZFIRSYQNOF-VHSXEESVSA-N -1 0 307.368 -0.383 20 0 DBADRM COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCOC[C@H]2C(=O)[O-])O1 ZINC001574063371 1026700172 /nfs/dbraw/zinc/70/01/72/1026700172.db2.gz ONPZIZZQENUOLJ-GARJFASQSA-N -1 0 315.322 -0.201 20 0 DBADRM COC(=O)[C@@H](O)CCNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001574076204 1026700438 /nfs/dbraw/zinc/70/04/38/1026700438.db2.gz VLQDHEIMFNXHOV-UTLUCORTSA-N -1 0 303.311 -0.704 20 0 DBADRM COC(=O)[C@@H](NC(=O)C1(CC(=O)[O-])CCOCC1)[C@@H](C)O ZINC001574074851 1026701234 /nfs/dbraw/zinc/70/12/34/1026701234.db2.gz BWQFQVQADYWHBO-SCZZXKLOSA-N -1 0 303.311 -0.704 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])C1 ZINC001574060073 1026701515 /nfs/dbraw/zinc/70/15/15/1026701515.db2.gz WFBPWXWJTCFKCE-NXEZZACHSA-N -1 0 320.367 -0.984 20 0 DBADRM CSC[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC001574096183 1026701909 /nfs/dbraw/zinc/70/19/09/1026701909.db2.gz AQANUWWMBNMLLQ-ZETCQYMHSA-N -1 0 319.426 -0.843 20 0 DBADRM CSC[C@@H](NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C(=O)[O-] ZINC001574096675 1026702071 /nfs/dbraw/zinc/70/20/71/1026702071.db2.gz QQZRAMOTBMYYJB-ZYCKWHBGSA-N -1 0 315.347 -0.361 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)N[C@@H]2COC(=O)C2)CC1 ZINC001574096492 1026702271 /nfs/dbraw/zinc/70/22/71/1026702271.db2.gz APJNUNIQYMGAHH-HXNGOWOSSA-N -1 0 318.351 -0.691 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001574096476 1026702304 /nfs/dbraw/zinc/70/23/04/1026702304.db2.gz AIUROYUWEUEOEG-FNJFIEHPSA-N -1 0 316.379 -0.362 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)Cn2nccc2N)CC1 ZINC001574096810 1026702696 /nfs/dbraw/zinc/70/26/96/1026702696.db2.gz FJYQELOFLNFXNS-NRFANRHFSA-N -1 0 314.367 -0.710 20 0 DBADRM CSC[C@@H](NC(=O)[C@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001574097236 1026702864 /nfs/dbraw/zinc/70/28/64/1026702864.db2.gz YOTHWJGVUUBHPI-NKWVEPMBSA-N -1 0 300.340 -0.522 20 0 DBADRM CSC[C@H](NC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O)C(=O)[O-] ZINC001574096202 1026703790 /nfs/dbraw/zinc/70/37/90/1026703790.db2.gz BFOBLVJEVKLLKB-CNUIFLNQSA-N -1 0 304.368 -0.806 20 0 DBADRM CSC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC001574096961 1026703823 /nfs/dbraw/zinc/70/38/23/1026703823.db2.gz VNYFZPNXTXFZGB-SECBINFHSA-N -1 0 318.376 -0.120 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC([C@H](F)C(=O)[O-])C1 ZINC001574104433 1026705016 /nfs/dbraw/zinc/70/50/16/1026705016.db2.gz FVEWXEMXBYMODQ-YEPSODPASA-N -1 0 308.331 -0.516 20 0 DBADRM C[S@](=O)CCN1CCN(Cc2nc(C(=O)[O-])no2)CC1 ZINC001574097732 1026705762 /nfs/dbraw/zinc/70/57/62/1026705762.db2.gz RYFAPOQQKUCSBZ-FQEVSTJZSA-N -1 0 302.356 -0.736 20 0 DBADRM C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001574098606 1026705777 /nfs/dbraw/zinc/70/57/77/1026705777.db2.gz FTSLIOGHQXSUNS-MRVPVSSYSA-N -1 0 318.293 -0.485 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC([C@@H](F)C(=O)[O-])C1 ZINC001574104432 1026705841 /nfs/dbraw/zinc/70/58/41/1026705841.db2.gz FVEWXEMXBYMODQ-BWVDBABLSA-N -1 0 308.331 -0.516 20 0 DBADRM Cc1[nH]c(C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1C(=O)[O-] ZINC001574111116 1026706300 /nfs/dbraw/zinc/70/63/00/1026706300.db2.gz CJEOXFHNJLZDKF-SSDOTTSWSA-N -1 0 301.324 -0.476 20 0 DBADRM Cc1c(Br)cnn1CC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001574111886 1026706468 /nfs/dbraw/zinc/70/64/68/1026706468.db2.gz BXDGDNRNCMNURE-SNVBAGLBSA-N -1 0 320.143 -0.094 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](CO)c1nncn1C ZINC001574110407 1026706822 /nfs/dbraw/zinc/70/68/22/1026706822.db2.gz CVVCFJWBTDKMOD-MRVPVSSYSA-N -1 0 307.310 -0.078 20 0 DBADRM Cc1[nH]c(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)cc1C(=O)[O-] ZINC001574112140 1026706861 /nfs/dbraw/zinc/70/68/61/1026706861.db2.gz IJWPEYJRZLWKNE-QMMMGPOBSA-N -1 0 315.351 -0.228 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC(O)(c2ncnn2C)C1 ZINC001574110355 1026708229 /nfs/dbraw/zinc/70/82/29/1026708229.db2.gz BASJMXYPISUPNS-UHFFFAOYSA-N -1 0 319.321 -0.198 20 0 DBADRM Cc1c(CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)cnn1C ZINC001574121146 1026708915 /nfs/dbraw/zinc/70/89/15/1026708915.db2.gz JXAYQUVKZUWLID-MNOVXSKESA-N -1 0 311.342 -0.502 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001574117621 1026709521 /nfs/dbraw/zinc/70/95/21/1026709521.db2.gz CACVLTNFRVWXRA-ZAZJYDDPSA-N -1 0 313.350 -0.012 20 0 DBADRM COC[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)[C@@H]1CCCOC1 ZINC001574130567 1026710947 /nfs/dbraw/zinc/71/09/47/1026710947.db2.gz OFWIVPULLJWOHG-MWLCHTKSSA-N -1 0 312.326 -0.466 20 0 DBADRM Cc1cc(COCC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])no1 ZINC001574135913 1026711789 /nfs/dbraw/zinc/71/17/89/1026711789.db2.gz VRMPASYDVOFKDT-BDAKNGLRSA-N -1 0 313.310 -0.406 20 0 DBADRM Cc1cc(CS(=O)(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)no1 ZINC001574137699 1026712590 /nfs/dbraw/zinc/71/25/90/1026712590.db2.gz XRZXYLNIEVPQBK-WPRPVWTQSA-N -1 0 319.339 -0.627 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cnc1N ZINC001574143295 1026712604 /nfs/dbraw/zinc/71/26/04/1026712604.db2.gz ARHFKDCZMCAIJL-SECBINFHSA-N -1 0 301.324 -0.554 20 0 DBADRM Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)[C@H](O)CC(=O)[O-] ZINC001574144376 1026713347 /nfs/dbraw/zinc/71/33/47/1026713347.db2.gz PENNNSQKFPSMDT-SECBINFHSA-N -1 0 316.335 -0.275 20 0 DBADRM Cc1cc(CS(=O)(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)no1 ZINC001574137698 1026714021 /nfs/dbraw/zinc/71/40/21/1026714021.db2.gz XRZXYLNIEVPQBK-WCBMZHEXSA-N -1 0 319.339 -0.627 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)Cc2nnc(C3CC3)[nH]2)CCO1 ZINC001574140771 1026714356 /nfs/dbraw/zinc/71/43/56/1026714356.db2.gz IQLRSOYKYXKCRY-AWEZNQCLSA-N -1 0 324.337 -0.447 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC(CO)(CO)C1 ZINC001574151883 1026715012 /nfs/dbraw/zinc/71/50/12/1026715012.db2.gz DSBVRROMDFKIOZ-UHFFFAOYSA-N -1 0 315.347 -0.331 20 0 DBADRM Cc1ccc(C2=NO[C@@H](C(=O)N(CC(N)=O)CC(=O)[O-])C2)cc1 ZINC001574152056 1026715023 /nfs/dbraw/zinc/71/50/23/1026715023.db2.gz NLJPTWYQFNKORH-GFCCVEGCSA-N -1 0 319.317 -0.113 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H]2C[C@H]2C(=O)OC)CCO1 ZINC001574147454 1026715033 /nfs/dbraw/zinc/71/50/33/1026715033.db2.gz UYRMMLDSVHHNIY-IGJMFERPSA-N -1 0 301.295 -0.876 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@H](C)c2nc(C(=O)[O-])n[nH]2)nn1 ZINC001574156904 1026715465 /nfs/dbraw/zinc/71/54/65/1026715465.db2.gz VDASUIPTDDNVFD-ZCFIWIBFSA-N -1 0 312.311 -0.359 20 0 DBADRM COCCN(CCOC)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001574158624 1026715884 /nfs/dbraw/zinc/71/58/84/1026715884.db2.gz FNOYCCAATBBHIO-NSHDSACASA-N -1 0 316.354 -0.569 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001574153567 1026716018 /nfs/dbraw/zinc/71/60/18/1026716018.db2.gz IOSWRIGGIYQFMC-VIFPVBQESA-N -1 0 312.326 -0.504 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H]2C[C@H]2C(=O)OC)CCO1 ZINC001574147455 1026716036 /nfs/dbraw/zinc/71/60/36/1026716036.db2.gz UYRMMLDSVHHNIY-RWEMILLDSA-N -1 0 301.295 -0.876 20 0 DBADRM Cc1cncn1CC(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001574179330 1026717523 /nfs/dbraw/zinc/71/75/23/1026717523.db2.gz HSDXFHRZRARIHV-QWHCGFSZSA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1cncc(S(=O)(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)c1 ZINC001574178698 1026718537 /nfs/dbraw/zinc/71/85/37/1026718537.db2.gz BCUMYZFKCUIDIT-GXSJLCMTSA-N -1 0 315.351 -0.361 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCC[C@@H](O)C2CC2)c1C(=O)[O-] ZINC001574182208 1026719428 /nfs/dbraw/zinc/71/94/28/1026719428.db2.gz JYZAJXREPBZBCW-MRVPVSSYSA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1nc(C(=O)N(CCC(=O)[O-])C2CC2)nn1-c1nc[nH]n1 ZINC001574182137 1026719802 /nfs/dbraw/zinc/71/98/02/1026719802.db2.gz JIDNPKIUYCMSIY-UHFFFAOYSA-N -1 0 305.298 -0.227 20 0 DBADRM Cc1nc(C(=O)NCC2(S(N)(=O)=O)CC2)ccc1C(=O)[O-] ZINC001574181094 1026720384 /nfs/dbraw/zinc/72/03/84/1026720384.db2.gz PKJKSXRIRAVLCZ-UHFFFAOYSA-N -1 0 313.335 -0.361 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H](C)Cn2ccnc2)c1C(=O)[O-] ZINC001574182581 1026720588 /nfs/dbraw/zinc/72/05/88/1026720588.db2.gz PAUXARHUDOOQGJ-ZETCQYMHSA-N -1 0 313.339 -0.020 20 0 DBADRM Cc1ncc(C(=O)[O-])cc1C(=O)N1CC(O)(c2cnnn2C)C1 ZINC001574191170 1026721601 /nfs/dbraw/zinc/72/16/01/1026721601.db2.gz AXLVZYNDUDOOIZ-UHFFFAOYSA-N -1 0 317.305 -0.440 20 0 DBADRM Cc1ncoc1CNS(=O)(=O)N1CCN(C(=O)[O-])CC1 ZINC001574197936 1026721867 /nfs/dbraw/zinc/72/18/67/1026721867.db2.gz IDIMIJWHGOPNRM-UHFFFAOYSA-N -1 0 304.328 -0.387 20 0 DBADRM Cc1noc(CCCC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001574197038 1026721988 /nfs/dbraw/zinc/72/19/88/1026721988.db2.gz GMNRHJHZLFNPQK-UWVGGRQHSA-N -1 0 312.326 -0.212 20 0 DBADRM Cc1ncc(C(=O)[O-])cc1C(=O)N1CCS(=O)(=O)CCO1 ZINC001574193839 1026722978 /nfs/dbraw/zinc/72/29/78/1026722978.db2.gz UPSWPYYKQOKQTK-UHFFFAOYSA-N -1 0 314.319 -0.110 20 0 DBADRM Cc1nocc1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001574205390 1026723568 /nfs/dbraw/zinc/72/35/68/1026723568.db2.gz INZPHWKTAWCEEX-BQBZGAKWSA-N -1 0 305.312 -0.761 20 0 DBADRM Cc1nn(CCS(=O)(=O)N[C@H](C)CCC(=O)[O-])c(=O)o1 ZINC001574199653 1026724194 /nfs/dbraw/zinc/72/41/94/1026724194.db2.gz DBGWOEJEZIASQY-SSDOTTSWSA-N -1 0 307.328 -0.683 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2Cc3nn(C)c(N)c3C2)n1 ZINC001574211774 1026725914 /nfs/dbraw/zinc/72/59/14/1026725914.db2.gz MQGJCZYDJPPTIO-UHFFFAOYSA-N -1 0 305.298 -0.018 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC001574208932 1026725941 /nfs/dbraw/zinc/72/59/41/1026725941.db2.gz KISBTFILRQIUDM-SSDOTTSWSA-N -1 0 316.339 -0.183 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)N1CCC[C@@H]1C(=O)[O-])c2=O ZINC001574211165 1026726107 /nfs/dbraw/zinc/72/61/07/1026726107.db2.gz CTIGBJVTDSDLFE-SNVBAGLBSA-N -1 0 304.306 -0.039 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2C[C@H](CO)[C@H](CCO)C2)n1 ZINC001574211412 1026726510 /nfs/dbraw/zinc/72/65/10/1026726510.db2.gz HSYLTKPVZKBSIC-RKDXNWHRSA-N -1 0 312.326 -0.427 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)N[C@H](CC(=O)[O-])C(F)(F)F ZINC001574208548 1026726545 /nfs/dbraw/zinc/72/65/45/1026726545.db2.gz GMLWXSJCNLUDHQ-SCSAIBSYSA-N -1 0 311.220 -0.275 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC001574208923 1026726983 /nfs/dbraw/zinc/72/69/83/1026726983.db2.gz KCKITCVETWHZKK-ZETCQYMHSA-N -1 0 309.282 -0.213 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)N[C@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001574209071 1026727141 /nfs/dbraw/zinc/72/71/41/1026727141.db2.gz MRUHWUSNEUWIAD-LETLQTKMSA-N -1 0 312.326 -0.096 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)CC2(C(=O)[O-])CCOCC2)cn1 ZINC001574212116 1026727996 /nfs/dbraw/zinc/72/79/96/1026727996.db2.gz JJVDHEXHSZYXPT-NSHDSACASA-N -1 0 311.338 -0.159 20 0 DBADRM Cn1cc(NC(=O)C2=NN(CCO)C(=O)CC2)cc1C(=O)[O-] ZINC001574213636 1026728061 /nfs/dbraw/zinc/72/80/61/1026728061.db2.gz OVLNBWVAKLTRIJ-UHFFFAOYSA-N -1 0 308.294 -0.368 20 0 DBADRM Cn1cc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)ccc1=O ZINC001574220004 1026728307 /nfs/dbraw/zinc/72/83/07/1026728307.db2.gz IWVHBTHNWYUTGO-PSASIEDQSA-N -1 0 310.310 -0.523 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)NC[C@@H](O)c2ccnn2C)n1 ZINC001574212319 1026728790 /nfs/dbraw/zinc/72/87/90/1026728790.db2.gz SZYRFBHUUJASCX-SECBINFHSA-N -1 0 308.298 -0.293 20 0 DBADRM Cn1cc(NC(=O)C2=NN(CCO)C(=O)CC2)c(C(=O)[O-])c1 ZINC001574213821 1026728989 /nfs/dbraw/zinc/72/89/89/1026728989.db2.gz WBYCNBQFTPKBMQ-UHFFFAOYSA-N -1 0 308.294 -0.368 20 0 DBADRM Cn1cc(NC(=O)N2CCN3C(=O)NC[C@@H]3C2)c(C(=O)[O-])c1 ZINC001574213772 1026729017 /nfs/dbraw/zinc/72/90/17/1026729017.db2.gz UJFVRJAMGURWAA-MRVPVSSYSA-N -1 0 307.310 -0.035 20 0 DBADRM Cn1cc([C@H](O)C(=O)N2CC[C@H](c3n[nH]cc3C(=O)[O-])C2)cn1 ZINC001574213094 1026729393 /nfs/dbraw/zinc/72/93/93/1026729393.db2.gz WBHMKAKCLLSNRF-UFBFGSQYSA-N -1 0 319.321 -0.109 20 0 DBADRM Cn1cnc(NC(=O)N2CCC(C(=O)NCC(=O)[O-])CC2)n1 ZINC001574220747 1026729997 /nfs/dbraw/zinc/72/99/97/1026729997.db2.gz GYULTASDTPJGNR-UHFFFAOYSA-N -1 0 310.314 -0.740 20 0 DBADRM Cn1ccc(NC(=O)c2cn(C)c(=O)n(C)c2=O)c1C(=O)[O-] ZINC001574224069 1026730035 /nfs/dbraw/zinc/73/00/35/1026730035.db2.gz BDECCAAKXXMKMD-UHFFFAOYSA-N -1 0 306.278 -0.627 20 0 DBADRM Cn1ccn2c(CNC(=O)CC(C)(C)C(=O)[O-])nnc2c1=O ZINC001574225003 1026730591 /nfs/dbraw/zinc/73/05/91/1026730591.db2.gz VDEBJVBDQYBHEY-UHFFFAOYSA-N -1 0 307.310 -0.455 20 0 DBADRM Cn1ccc(CC(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)n1 ZINC001574224972 1026731254 /nfs/dbraw/zinc/73/12/54/1026731254.db2.gz ULENNMRFOVTFRG-CHWSQXEVSA-N -1 0 304.306 -0.339 20 0 DBADRM Cn1ccc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccncc2)cc1=O ZINC001574224111 1026731814 /nfs/dbraw/zinc/73/18/14/1026731814.db2.gz CVWYGVRWUDUXQN-QWHCGFSZSA-N -1 0 317.301 -0.303 20 0 DBADRM Cn1nc(C2CCOCC2)cc1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001574226520 1026732587 /nfs/dbraw/zinc/73/25/87/1026732587.db2.gz JBIJADSSWAQTNX-AWEZNQCLSA-N -1 0 311.338 -0.121 20 0 DBADRM Cn1nc(C(=O)N2CCC[C@@H]2c2n[nH]nc2C(=O)[O-])ccc1=O ZINC001574226443 1026732723 /nfs/dbraw/zinc/73/27/23/1026732723.db2.gz GFOPJZJEQUHYPW-MRVPVSSYSA-N -1 0 318.293 -0.426 20 0 DBADRM Cn1nc(C2CCOCC2)cc1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001574226521 1026733457 /nfs/dbraw/zinc/73/34/57/1026733457.db2.gz JBIJADSSWAQTNX-CQSZACIVSA-N -1 0 311.338 -0.121 20 0 DBADRM Cn1nc(C2CC2)cc1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001574226684 1026733515 /nfs/dbraw/zinc/73/35/15/1026733515.db2.gz OTTZTKUETOHMJY-LLVKDONJSA-N -1 0 303.340 -0.589 20 0 DBADRM Cn1ncc(CCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccncc2)n1 ZINC001574226477 1026733636 /nfs/dbraw/zinc/73/36/36/1026733636.db2.gz HMZRVIDFSKAKKF-STQMWFEESA-N -1 0 319.321 -0.554 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)CN1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001574226541 1026734132 /nfs/dbraw/zinc/73/41/32/1026734132.db2.gz JZFALKSOOVTJAS-CBAPKCEASA-N -1 0 308.294 -0.838 20 0 DBADRM NC(=O)[C@H](O)CNc1ccc(Br)c(C(=O)[O-])n1 ZINC001574248001 1026735612 /nfs/dbraw/zinc/73/56/12/1026735612.db2.gz HSRDIWFUKVHNBN-RXMQYKEDSA-N -1 0 304.100 -0.200 20 0 DBADRM NC(=O)[C@@H](O)CNc1ccc(Br)c(C(=O)[O-])n1 ZINC001574248002 1026736180 /nfs/dbraw/zinc/73/61/80/1026736180.db2.gz HSRDIWFUKVHNBN-YFKPBYRVSA-N -1 0 304.100 -0.200 20 0 DBADRM NC(=O)C1(O)CCN(CC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC001574249435 1026738065 /nfs/dbraw/zinc/73/80/65/1026738065.db2.gz PJVNQWGGBLTXLQ-UHFFFAOYSA-N -1 0 321.333 -0.365 20 0 DBADRM NC(=O)CN(CC(=O)[O-])S(=O)(=O)CCCc1ccccc1 ZINC001574255210 1026738578 /nfs/dbraw/zinc/73/85/78/1026738578.db2.gz SZHDDFVCTBMNPP-UHFFFAOYSA-N -1 0 314.363 -0.179 20 0 DBADRM NC(=O)C[C@H]1CN(Cc2cnc3c(C(=O)[O-])cnn3c2)CCO1 ZINC001574250135 1026739141 /nfs/dbraw/zinc/73/91/41/1026739141.db2.gz XQAANJNDZISAIR-JTQLQIEISA-N -1 0 319.321 -0.496 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)c1ccc([C@H]2CCC(=O)N2)cc1 ZINC001574255197 1026739692 /nfs/dbraw/zinc/73/96/92/1026739692.db2.gz SLMBHBJEGDSFFV-LLVKDONJSA-N -1 0 319.317 -0.350 20 0 DBADRM CC(C)N(C)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001574252309 1026739834 /nfs/dbraw/zinc/73/98/34/1026739834.db2.gz RXQSKZVOFSNVKW-UHFFFAOYSA-N -1 0 322.329 -0.821 20 0 DBADRM NC(=O)CSCC(=O)N1CCC[C@@H]1c1n[nH]nc1C(=O)[O-] ZINC001574255116 1026740571 /nfs/dbraw/zinc/74/05/71/1026740571.db2.gz QPXBTBOAGLKXBD-ZCFIWIBFSA-N -1 0 313.339 -0.615 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC001574254625 1026740808 /nfs/dbraw/zinc/74/08/08/1026740808.db2.gz FLJXCUWMZFLUNL-UHFFFAOYSA-N -1 0 303.278 -0.516 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)c1cc(C(F)(F)F)ncn1 ZINC001574255166 1026741152 /nfs/dbraw/zinc/74/11/52/1026741152.db2.gz RIZYITFDFSJJOQ-UHFFFAOYSA-N -1 0 306.200 -0.493 20 0 DBADRM NC(=O)N1CC[C@@H](CNC(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC001574256326 1026742014 /nfs/dbraw/zinc/74/20/14/1026742014.db2.gz CJFWNEUBEJBQCZ-JGVFFNPUSA-N -1 0 302.356 -0.444 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])O1 ZINC001574257351 1026742087 /nfs/dbraw/zinc/74/20/87/1026742087.db2.gz XPLXDNOHZNDUIP-OUAUKWLOSA-N -1 0 307.306 -0.774 20 0 DBADRM NC(=O)c1cccc(C(=O)N2C[C@@H](C(=O)[O-])C3(COC3)C2)n1 ZINC001574258898 1026742118 /nfs/dbraw/zinc/74/21/18/1026742118.db2.gz AUAMOAINELNTSF-QMMMGPOBSA-N -1 0 305.290 -0.646 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)C1 ZINC001574256459 1026742381 /nfs/dbraw/zinc/74/23/81/1026742381.db2.gz DRTLLPNDKUKCBK-LLHIFLOGSA-N -1 0 321.333 -0.414 20 0 DBADRM NC(=O)c1ccc(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)cn1 ZINC001574259457 1026743071 /nfs/dbraw/zinc/74/30/71/1026743071.db2.gz POSZXCPMZQXKFM-AWEZNQCLSA-N -1 0 307.306 -0.208 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)Nc2ncn(CC(=O)[O-])n2)O1 ZINC001574257049 1026743355 /nfs/dbraw/zinc/74/33/55/1026743355.db2.gz UNDSAYXCLUSIBD-SFYZADRCSA-N -1 0 311.298 -0.886 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC001574281942 1026747201 /nfs/dbraw/zinc/74/72/01/1026747201.db2.gz INYHSVYERAEKQJ-PELKAZGASA-N -1 0 304.368 -0.363 20 0 DBADRM NS(=O)(=O)NC1CN(C(=O)CC2CCC(C(=O)[O-])CC2)C1 ZINC001574280705 1026747375 /nfs/dbraw/zinc/74/73/75/1026747375.db2.gz PKSYFTCOALZRMX-UHFFFAOYSA-N -1 0 319.383 -0.729 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001574279482 1026747752 /nfs/dbraw/zinc/74/77/52/1026747752.db2.gz DBUUOGWYDPMJJI-AEJSXWLSSA-N -1 0 304.368 -0.233 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCCCn1cc(C(N)=O)nn1 ZINC001574281882 1026748146 /nfs/dbraw/zinc/74/81/46/1026748146.db2.gz DTTYPSBTSVMRSW-OQPBUACISA-N -1 0 309.326 -0.616 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001574281275 1026748163 /nfs/dbraw/zinc/74/81/63/1026748163.db2.gz ZTANJCNAKSZOQC-IUCAKERBSA-N -1 0 308.356 -0.806 20 0 DBADRM NS(=O)(=O)CCCC(=O)N1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC001574279791 1026748230 /nfs/dbraw/zinc/74/82/30/1026748230.db2.gz HPKKVYDXTVLWIK-AMUVOQDHSA-N -1 0 304.368 -0.091 20 0 DBADRM NS(=O)(=O)c1ccsc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001574280400 1026748429 /nfs/dbraw/zinc/74/84/29/1026748429.db2.gz NDRBPNKXEUCDSX-LURJTMIESA-N -1 0 304.349 -0.058 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC001574287433 1026749549 /nfs/dbraw/zinc/74/95/49/1026749549.db2.gz NFBKRCLYHNFPBZ-BIFUPNIPSA-N -1 0 308.294 -0.062 20 0 DBADRM O=C([O-])C1(CC(=O)N2CCS(=O)(=O)C[C@@H]2CCO)CCC1 ZINC001574293052 1026749731 /nfs/dbraw/zinc/74/97/31/1026749731.db2.gz RMZSBGDZUXEKBS-JTQLQIEISA-N -1 0 319.379 -0.361 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC001574292299 1026749765 /nfs/dbraw/zinc/74/97/65/1026749765.db2.gz ZKTMMQBYEBZVLY-SECBINFHSA-N -1 0 317.309 -0.443 20 0 DBADRM Nc1nc(C(=O)[O-])nc(N2CCN(C(=O)C3=CCCC3)CC2)n1 ZINC001574291274 1026750022 /nfs/dbraw/zinc/75/00/22/1026750022.db2.gz FHDXMMOZQTZYMJ-UHFFFAOYSA-N -1 0 318.337 -0.089 20 0 DBADRM CC(C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001574290053 1026750718 /nfs/dbraw/zinc/75/07/18/1026750718.db2.gz FXIUJFDCPQLYMG-HTQZYQBOSA-N -1 0 321.345 -0.952 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)C[C@H]2C=CS(=O)(=O)C2)n1 ZINC001574293137 1026751998 /nfs/dbraw/zinc/75/19/98/1026751998.db2.gz VLDUCVATNKMNLC-ZCFIWIBFSA-N -1 0 300.296 -0.933 20 0 DBADRM O=C([O-])c1cc(CNC(=O)CCC(=O)N2CCOCC2)on1 ZINC001574293746 1026752019 /nfs/dbraw/zinc/75/20/19/1026752019.db2.gz NKKQIYLURUHKAB-UHFFFAOYSA-N -1 0 311.294 -0.372 20 0 DBADRM O=C([O-])[C@@H]1CCC[N@H+](CC(=O)NCc2nc([O-])cc(=O)[nH]2)C1 ZINC001574299913 1026753022 /nfs/dbraw/zinc/75/30/22/1026753022.db2.gz WEVVGNDHJKUPDZ-MRVPVSSYSA-N -1 0 310.310 -0.699 20 0 DBADRM O=C([O-])[C@H](NC(=O)CC1OCCCO1)[C@H](O)c1cccnc1 ZINC001574294025 1026753775 /nfs/dbraw/zinc/75/37/75/1026753775.db2.gz UFBZESANGNXQKQ-CHWSQXEVSA-N -1 0 310.306 -0.163 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)Cc1ccccc1O[C@H]1CCOC1 ZINC001574302877 1026754567 /nfs/dbraw/zinc/75/45/67/1026754567.db2.gz RNKGHASZSMIZHP-RYUDHWBXSA-N -1 0 309.318 -0.042 20 0 DBADRM O=C([O-])c1ccc(N2CC(NC(=O)Cc3nc[nH]n3)C2)nc1 ZINC001574302412 1026754795 /nfs/dbraw/zinc/75/47/95/1026754795.db2.gz XCPGALJSWVVBLI-UHFFFAOYSA-N -1 0 302.294 -0.555 20 0 DBADRM O=C([O-])c1ncc(Br)c(N2CC(CO)(CO)C2)n1 ZINC001574423578 1026785874 /nfs/dbraw/zinc/78/58/74/1026785874.db2.gz TUYUTWMFACHSFZ-UHFFFAOYSA-N -1 0 318.127 -0.272 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CN1CCS(=O)(=O)CC1 ZINC001574300194 1026755009 /nfs/dbraw/zinc/75/50/09/1026755009.db2.gz GDZOBFRPYNHQJV-MNOVXSKESA-N -1 0 318.395 -0.524 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CO[C@@H]1CCOC1)[C@H](O)c1ccncc1 ZINC001574300344 1026755836 /nfs/dbraw/zinc/75/58/36/1026755836.db2.gz IUQCOVOTVBXPMU-KGYLQXTDSA-N -1 0 310.306 -0.510 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)COCc2ccncc2)C1 ZINC001574302509 1026756108 /nfs/dbraw/zinc/75/61/08/1026756108.db2.gz JMQDCWZNKKTFCL-RYUDHWBXSA-N -1 0 309.322 -0.315 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1nc2n(n1)CCCN2 ZINC001574307802 1026756834 /nfs/dbraw/zinc/75/68/34/1026756834.db2.gz BYMUJPXJHBIQBL-BDAKNGLRSA-N -1 0 309.326 -0.897 20 0 DBADRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)c1ccn2nnnc2c1 ZINC001574308107 1026757075 /nfs/dbraw/zinc/75/70/75/1026757075.db2.gz FYUPEHCGTJGHGY-NXEZZACHSA-N -1 0 305.294 -0.124 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1cccn2nnnc12 ZINC001574309689 1026757610 /nfs/dbraw/zinc/75/76/10/1026757610.db2.gz ZFTKYQYCFYVSER-SCZZXKLOSA-N -1 0 305.294 -0.124 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2csc(CO)n2)C1 ZINC001574311172 1026758679 /nfs/dbraw/zinc/75/86/79/1026758679.db2.gz FCYYTOQEHXHIEI-RNFRBKRXSA-N -1 0 301.324 -0.664 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1 ZINC001574311551 1026758794 /nfs/dbraw/zinc/75/87/94/1026758794.db2.gz KGWWVSDXOFHIKF-OUAUKWLOSA-N -1 0 313.354 -0.032 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2ccc3nncn3c2)C1 ZINC001574311327 1026758937 /nfs/dbraw/zinc/75/89/37/1026758937.db2.gz GXUNVOPZBODFRK-NXEZZACHSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2cccc3ncnn32)C1 ZINC001574311370 1026759404 /nfs/dbraw/zinc/75/94/04/1026759404.db2.gz HYBUNDJVROZTGT-IUCAKERBSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2n[nH]c3c2CCCC3)[C@@H](CO)C1 ZINC001574312138 1026759890 /nfs/dbraw/zinc/75/98/90/1026759890.db2.gz UURVCVJFJFAKPR-KCJUWKMLSA-N -1 0 308.338 -0.011 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)NC[C@@H]2CCCCO2)C1 ZINC001574318934 1026760691 /nfs/dbraw/zinc/76/06/91/1026760691.db2.gz CRTWNSQBIIMPGG-DCAQKATOSA-N -1 0 301.343 -0.175 20 0 DBADRM O=C([O-])N1CCC[C@H](C(=O)NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001574321827 1026760702 /nfs/dbraw/zinc/76/07/02/1026760702.db2.gz GVNAXLCAXIPIGC-JOYOIKCWSA-N -1 0 320.367 -0.958 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)NCCc2cnccn2)C1 ZINC001574323545 1026760834 /nfs/dbraw/zinc/76/08/34/1026760834.db2.gz FNIHTPWVJMJPCR-GXSJLCMTSA-N -1 0 309.326 -0.711 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)NCC2CCOCC2)[C@@H](CO)C1 ZINC001574319204 1026762072 /nfs/dbraw/zinc/76/20/72/1026762072.db2.gz HSKSMHZSQIXTBW-MNOVXSKESA-N -1 0 301.343 -0.317 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)c2ccn(CC(F)F)n2)n1 ZINC001574330889 1026763632 /nfs/dbraw/zinc/76/36/32/1026763632.db2.gz COPHCCNTZVTEOZ-UHFFFAOYSA-N -1 0 300.225 -0.106 20 0 DBADRM Cc1cc(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])no1 ZINC001574326217 1026764051 /nfs/dbraw/zinc/76/40/51/1026764051.db2.gz KSAZHNSVFVERAD-SECBINFHSA-N -1 0 302.308 -0.764 20 0 DBADRM O=C([O-])c1cc(CNC(=O)N[C@H](CO)C2CCOCC2)on1 ZINC001574326758 1026764536 /nfs/dbraw/zinc/76/45/36/1026764536.db2.gz GEFWXTPJTSREBE-LLVKDONJSA-N -1 0 313.310 -0.041 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCc1nc(O)cc(=O)[nH]1 ZINC001574331315 1026764616 /nfs/dbraw/zinc/76/46/16/1026764616.db2.gz ZLYKQWXVVMQRJM-RXMQYKEDSA-N -1 0 300.296 -0.443 20 0 DBADRM O=C([O-])[C@@H](F)[C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001574345250 1026765049 /nfs/dbraw/zinc/76/50/49/1026765049.db2.gz KJFQGHIBVLCOHW-KCJUWKMLSA-N -1 0 320.284 -0.058 20 0 DBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)CCOC2CCOCC2)C1 ZINC001574355425 1026765429 /nfs/dbraw/zinc/76/54/29/1026765429.db2.gz CFXQQXBXAXMRGM-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)Nc2nnc3ccccn32)C1 ZINC001574345763 1026766147 /nfs/dbraw/zinc/76/61/47/1026766147.db2.gz OQGPFGWDYTUKHL-RKDXNWHRSA-N -1 0 320.309 -0.179 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)CCC1 ZINC001574351799 1026766244 /nfs/dbraw/zinc/76/62/44/1026766244.db2.gz LLJUGVSBWLOKEP-BBBLOLIVSA-N -1 0 305.352 -0.283 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCCC2(O)CCOCC2)CCC1 ZINC001574351759 1026766657 /nfs/dbraw/zinc/76/66/57/1026766657.db2.gz KOLSGBCGBLMZHJ-UHFFFAOYSA-N -1 0 307.368 -0.155 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCCC2CS(=O)(=O)C2)CCC1 ZINC001574351803 1026766977 /nfs/dbraw/zinc/76/69/77/1026766977.db2.gz LNVJVMVJIHKOBO-UHFFFAOYSA-N -1 0 311.381 -0.652 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)CCC1 ZINC001574352163 1026767041 /nfs/dbraw/zinc/76/70/41/1026767041.db2.gz QMPGMTUYPFRDCQ-MRVPVSSYSA-N -1 0 311.381 -0.510 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001574355640 1026767109 /nfs/dbraw/zinc/76/71/09/1026767109.db2.gz GKUGNCNYBOEVBF-ZETCQYMHSA-N -1 0 306.282 -0.966 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NC[C@H]2CCCS2(=O)=O)CCC1 ZINC001574351596 1026767405 /nfs/dbraw/zinc/76/74/05/1026767405.db2.gz FDFLNGLDSDWIIY-MRVPVSSYSA-N -1 0 311.381 -0.510 20 0 DBADRM O=C([O-])C[C@H](NC(=O)CC1C(=O)N=CNC1=O)C(F)(F)F ZINC001574357643 1026769603 /nfs/dbraw/zinc/76/96/03/1026769603.db2.gz QRVQYNXZQXMIGW-YFKPBYRVSA-N -1 0 309.200 -0.048 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCc1nc([C@@H]2CCOC2)n[nH]1 ZINC001574362761 1026770445 /nfs/dbraw/zinc/77/04/45/1026770445.db2.gz WPKDTQRVROELKX-MRVPVSSYSA-N -1 0 318.355 -0.407 20 0 DBADRM O=C([O-])CC1(NC(=O)c2cnc3c(c2)NC(=O)CO3)COC1 ZINC001574364289 1026770472 /nfs/dbraw/zinc/77/04/72/1026770472.db2.gz BKGXASQWWGZTKR-UHFFFAOYSA-N -1 0 307.262 -0.614 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC001574364073 1026770763 /nfs/dbraw/zinc/77/07/63/1026770763.db2.gz VQYWIJSCYHTIAX-QJPTWQEYSA-N -1 0 312.366 -0.418 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001574362191 1026771072 /nfs/dbraw/zinc/77/10/72/1026771072.db2.gz KNOSLVBRHZSQIT-RQJHMYQMSA-N -1 0 312.244 -0.651 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)c1nc2ncc(CCO)cn2n1 ZINC001574361857 1026771231 /nfs/dbraw/zinc/77/12/31/1026771231.db2.gz OHPSNKDYNRRFQZ-SNVBAGLBSA-N -1 0 319.321 -0.262 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC001574361366 1026771508 /nfs/dbraw/zinc/77/15/08/1026771508.db2.gz GZOFOTZLJBZEAS-ABAIWWIYSA-N -1 0 304.302 -0.056 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1cn(C(F)(F)CO)nn1 ZINC001574361396 1026771692 /nfs/dbraw/zinc/77/16/92/1026771692.db2.gz GPNSCSYCXUDUGR-ZETCQYMHSA-N -1 0 304.253 -0.101 20 0 DBADRM O=C([O-])Cc1cc(Cl)c(=O)n(CC(=O)N2CCOCC2)c1 ZINC001574371453 1026772049 /nfs/dbraw/zinc/77/20/49/1026772049.db2.gz SRZMIHMSORQKRE-UHFFFAOYSA-N -1 0 314.725 -0.012 20 0 DBADRM O=C([O-])CC1(NC(=O)c2cn(-c3cccnc3)nn2)COC1 ZINC001574365543 1026772645 /nfs/dbraw/zinc/77/26/45/1026772645.db2.gz ZLBKPVQMUIBRMZ-UHFFFAOYSA-N -1 0 303.278 -0.364 20 0 DBADRM O=C([O-])CN1CCCN(C(=O)C[C@H]2C=CS(=O)(=O)C2)CC1 ZINC001574372552 1026773473 /nfs/dbraw/zinc/77/34/73/1026773473.db2.gz UVFYOYHGTLQROL-LLVKDONJSA-N -1 0 316.379 -0.446 20 0 DBADRM O=C([O-])CNC(=O)C1CCN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 ZINC001574372072 1026773707 /nfs/dbraw/zinc/77/37/07/1026773707.db2.gz OVURYNJOFNWTNF-RAIGVLPGSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])Cn1cccc(NC(=O)N[C@@H]2CC23CC(O)C3)c1=O ZINC001574374940 1026773828 /nfs/dbraw/zinc/77/38/28/1026773828.db2.gz BOIXAYYGDHTQNL-MHMQJKDYSA-N -1 0 307.306 -0.032 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)Nc1ccc(S(=O)(=O)CCO)cc1 ZINC001574365161 1026773936 /nfs/dbraw/zinc/77/39/36/1026773936.db2.gz OQHOVZXEMKAVMX-SNVBAGLBSA-N -1 0 317.319 -0.773 20 0 DBADRM O=C([O-])CCS(=O)(=O)NCc1nnc(C2CCOCC2)[nH]1 ZINC001574368443 1026774135 /nfs/dbraw/zinc/77/41/35/1026774135.db2.gz QVFCHQVXSYIWOK-UHFFFAOYSA-N -1 0 318.355 -0.407 20 0 DBADRM O=C([O-])Cn1cccc(NC(=O)N[C@@H](CO)c2ncc[nH]2)c1=O ZINC001574375147 1026775080 /nfs/dbraw/zinc/77/50/80/1026775080.db2.gz GZXLUJUSFNRJLD-VIFPVBQESA-N -1 0 321.293 -0.489 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001574376623 1026775859 /nfs/dbraw/zinc/77/58/59/1026775859.db2.gz HCPBHMONCKEPTP-DTWKUNHWSA-N -1 0 301.324 -0.669 20 0 DBADRM O=C([O-])N1CC[C@@H](NS(=O)(=O)c2c[nH]c3ncncc23)C1 ZINC001574376277 1026775897 /nfs/dbraw/zinc/77/58/97/1026775897.db2.gz AUKPUBASSUONGM-SSDOTTSWSA-N -1 0 311.323 -0.060 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)N2C[C@H](CO)[C@H](CCO)C2)C1 ZINC001574376338 1026775935 /nfs/dbraw/zinc/77/59/35/1026775935.db2.gz CUUVEXBBCIHMLJ-MXWKQRLJSA-N -1 0 301.343 -0.629 20 0 DBADRM O=C([O-])Cn1cccc(NC(=O)[C@@H]2CSCC(=O)N2)c1=O ZINC001574375724 1026775987 /nfs/dbraw/zinc/77/59/87/1026775987.db2.gz YHUCKFSSFPFLLJ-QMMMGPOBSA-N -1 0 311.319 -0.897 20 0 DBADRM O=C([O-])Cc1csc(CNC(=O)C2=C3CCCN=C3NN2)n1 ZINC001574375666 1026776058 /nfs/dbraw/zinc/77/60/58/1026776058.db2.gz VLVFQNCUSMMSJW-UHFFFAOYSA-N -1 0 321.362 -0.059 20 0 DBADRM O=C([O-])N1CC[C@@H](NS(=O)(=O)CCN2CCOC2=O)C1 ZINC001574376294 1026776096 /nfs/dbraw/zinc/77/60/96/1026776096.db2.gz BLLQQAYUCBQZKI-MRVPVSSYSA-N -1 0 307.328 -0.890 20 0 DBADRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001574381243 1026777059 /nfs/dbraw/zinc/77/70/59/1026777059.db2.gz ZHEDJJZORVAPPE-LPWJVIDDSA-N -1 0 308.334 -0.134 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574392095 1026777207 /nfs/dbraw/zinc/77/72/07/1026777207.db2.gz JXXBKBMAGMIYPY-WCBMZHEXSA-N -1 0 320.357 -0.988 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCN(CC(F)(F)CO)CC1 ZINC001574388380 1026777929 /nfs/dbraw/zinc/77/79/29/1026777929.db2.gz OYRLNTJYAZIACO-VHSXEESVSA-N -1 0 306.309 -0.131 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001574387540 1026778125 /nfs/dbraw/zinc/77/81/25/1026778125.db2.gz BDKNZOOSIOHQFA-OPQQBVKSSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])NCCC(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001574381109 1026778309 /nfs/dbraw/zinc/77/83/09/1026778309.db2.gz UMSDPGKTHWHBCC-UHFFFAOYSA-N -1 0 308.356 -0.646 20 0 DBADRM O=C([O-])c1nc[nH]c1CNC(=O)[C@@H]1COCCN1CC(F)F ZINC001574405444 1026779606 /nfs/dbraw/zinc/77/96/06/1026779606.db2.gz GFMGESIYRXRXSQ-QMMMGPOBSA-N -1 0 318.280 -0.310 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCN2CCC3(C2)OCCO3)on1 ZINC001574408906 1026779742 /nfs/dbraw/zinc/77/97/42/1026779742.db2.gz SHICKPDXXUPEBE-UHFFFAOYSA-N -1 0 311.294 -0.449 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CC[C@@](O)(C(F)F)C1 ZINC001574415711 1026780300 /nfs/dbraw/zinc/78/03/00/1026780300.db2.gz UEWPONZUXNDTIZ-VIFPVBQESA-N -1 0 311.266 -0.502 20 0 DBADRM O=C([O-])c1ccc(CS(=O)(=O)N[C@@H]2COCC[C@H]2O)cc1 ZINC001574415665 1026780085 /nfs/dbraw/zinc/78/00/85/1026780085.db2.gz RFRKVTFNFOGNBE-VXGBXAGGSA-N -1 0 315.347 -0.046 20 0 DBADRM O=C([O-])c1c[nH]nc1[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001574414498 1026780190 /nfs/dbraw/zinc/78/01/90/1026780190.db2.gz ATKCLGAUTFRXOL-MRVPVSSYSA-N -1 0 305.298 -0.499 20 0 DBADRM O=C([O-])c1ccc(N2CCN(C(=O)C3(O)COC3)CC2)nc1 ZINC001574415338 1026780327 /nfs/dbraw/zinc/78/03/27/1026780327.db2.gz PUOJPLHMBOCHDT-UHFFFAOYSA-N -1 0 307.306 -0.810 20 0 DBADRM O=C([O-])c1c[nH]nc1[C@@H]1CCN(C(=O)C2(n3cnnn3)CC2)C1 ZINC001574414948 1026780446 /nfs/dbraw/zinc/78/04/46/1026780446.db2.gz MFCQGXJUQCBDOE-MRVPVSSYSA-N -1 0 317.309 -0.400 20 0 DBADRM O=C([O-])c1cn(CCNS(=O)(=O)Cc2ccno2)cn1 ZINC001574415660 1026781436 /nfs/dbraw/zinc/78/14/36/1026781436.db2.gz QYHHQUHURJHZFM-UHFFFAOYSA-N -1 0 300.296 -0.311 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)c2ccnn2CC(F)F)n1 ZINC001574423315 1026782137 /nfs/dbraw/zinc/78/21/37/1026782137.db2.gz UHSLWTRLWNNEDN-UHFFFAOYSA-N -1 0 300.225 -0.106 20 0 DBADRM Cc1nnc(C2CN(C(=O)c3cccn(CC(=O)[O-])c3=O)C2)[nH]1 ZINC001574417019 1026782468 /nfs/dbraw/zinc/78/24/68/1026782468.db2.gz DZOQIDYDMGLWEX-UHFFFAOYSA-N -1 0 317.305 -0.401 20 0 DBADRM Cc1n[nH]cc1CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574416069 1026782623 /nfs/dbraw/zinc/78/26/23/1026782623.db2.gz POSJAZVOFYSDGP-NSHDSACASA-N -1 0 323.353 -0.017 20 0 DBADRM Cc1nnc(CC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)[nH]1 ZINC001574415873 1026782832 /nfs/dbraw/zinc/78/28/32/1026782832.db2.gz KWQSRAMDSMXBFA-SECBINFHSA-N -1 0 309.326 -0.762 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2C[C@@H](O)[C@H](CO)C2)c(Cl)c1 ZINC001574417569 1026783423 /nfs/dbraw/zinc/78/34/23/1026783423.db2.gz MVZWGKWYOILHPH-IONNQARKSA-N -1 0 300.698 -0.142 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@@H]1CCn2ccnc2C1 ZINC001574417247 1026783649 /nfs/dbraw/zinc/78/36/49/1026783649.db2.gz GSGIYEHPZULVMU-SSDOTTSWSA-N -1 0 311.323 -0.402 20 0 DBADRM O=C([O-])c1c[nH]c(NC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)n1 ZINC001574417237 1026783983 /nfs/dbraw/zinc/78/39/83/1026783983.db2.gz GHTLRVKPHMSUDT-APPZFPTMSA-N -1 0 318.293 -0.524 20 0 DBADRM O=C([O-])c1n[nH]c(C2CCN(C(=O)Cc3nnc[nH]3)CC2)n1 ZINC001574422973 1026784027 /nfs/dbraw/zinc/78/40/27/1026784027.db2.gz GSQPRLUETJSVCC-UHFFFAOYSA-N -1 0 305.298 -0.430 20 0 DBADRM O=C([O-])N1CCC(S(=O)(=O)NCC[C@@H]2CNC(=O)C2)CC1 ZINC001574430456 1026784478 /nfs/dbraw/zinc/78/44/78/1026784478.db2.gz GMUOYEYVKDDGOC-VIFPVBQESA-N -1 0 319.383 -0.426 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@H]1CCCC(=O)N1)[C@H](O)c1cccnc1 ZINC001574430314 1026785728 /nfs/dbraw/zinc/78/57/28/1026785728.db2.gz FQOSPLPUQNDYOB-LERXQTSPSA-N -1 0 321.333 -0.257 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)[C@H]2CC(=O)N[C@H]3CCCC[C@H]32)n1 ZINC001574429882 1026786200 /nfs/dbraw/zinc/78/62/00/1026786200.db2.gz ABDKWRNHDNJGHB-CIUDSAMLSA-N -1 0 321.337 -0.186 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@H]1CCCN1C(=O)C[C@H]1CCC(=O)N1 ZINC001574430734 1026786304 /nfs/dbraw/zinc/78/63/04/1026786304.db2.gz MKZBBNADFNCSRD-HTQZYQBOSA-N -1 0 307.310 -0.165 20 0 DBADRM Cc1ncncc1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574428799 1026786382 /nfs/dbraw/zinc/78/63/82/1026786382.db2.gz IYJFIRFBYQUYKC-LLVKDONJSA-N -1 0 306.322 -0.019 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001574435533 1026787405 /nfs/dbraw/zinc/78/74/05/1026787405.db2.gz NICJMPAHLKSKSX-ZDUSSCGKSA-N -1 0 305.294 -0.464 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001574435532 1026788392 /nfs/dbraw/zinc/78/83/92/1026788392.db2.gz NICJMPAHLKSKSX-CYBMUJFWSA-N -1 0 305.294 -0.464 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@H]1CCC(=O)NC1)[C@H](O)c1cccnc1 ZINC001574430923 1026788680 /nfs/dbraw/zinc/78/86/80/1026788680.db2.gz OVHQTCCIURQCIK-OWYVNGRQSA-N -1 0 321.333 -0.399 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001574499715 1026792922 /nfs/dbraw/zinc/79/29/22/1026792922.db2.gz DXMITMHHLOIDMU-JTQLQIEISA-N -1 0 317.342 -0.989 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001574507927 1026793055 /nfs/dbraw/zinc/79/30/55/1026793055.db2.gz PZNFKCJQLUJTDO-GFCCVEGCSA-N -1 0 302.352 -0.265 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccnc(C(=O)[O-])c2)C1 ZINC001574506472 1026793431 /nfs/dbraw/zinc/79/34/31/1026793431.db2.gz AFCFTCRRGRLEPN-MRVPVSSYSA-N -1 0 314.323 -0.326 20 0 DBADRM CO[C@H](CS(=O)(=O)NC[C@H](O)C(=O)[O-])c1ccccc1 ZINC001574583541 1026796823 /nfs/dbraw/zinc/79/68/23/1026796823.db2.gz BPEJLAONCVSPPV-WDEREUQCSA-N -1 0 303.336 -0.261 20 0 DBADRM COc1ccc([C@H](CC(=O)NC[C@H](O)C(=O)[O-])NC(C)=O)cc1 ZINC001574616544 1026796871 /nfs/dbraw/zinc/79/68/71/1026796871.db2.gz BXUOOASDZUORNB-STQMWFEESA-N -1 0 324.333 -0.176 20 0 DBADRM COc1ccc(N2C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])CC2=O)cc1 ZINC001574627135 1026798169 /nfs/dbraw/zinc/79/81/69/1026798169.db2.gz UKZYVVZEYGQTMQ-CABZTGNLSA-N -1 0 322.317 -0.390 20 0 DBADRM C[C@H](CCCO)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001574584753 1026798186 /nfs/dbraw/zinc/79/81/86/1026798186.db2.gz RKJVTBAJXXWSGN-SECBINFHSA-N -1 0 323.361 -0.834 20 0 DBADRM O=C([O-])C1(C(=O)N2CCc3c(=O)[nH]cnc3C2)CCOCC1 ZINC001574626289 1026798338 /nfs/dbraw/zinc/79/83/38/1026798338.db2.gz MHPUZVZAEUBXLZ-UHFFFAOYSA-N -1 0 307.306 -0.052 20 0 DBADRM O=C([O-])[C@]1(C(=O)N[C@@H](CO)[C@H](O)c2ccccn2)CCCO1 ZINC001574626087 1026798413 /nfs/dbraw/zinc/79/84/13/1026798413.db2.gz FVDSIKUTCCJXJN-MISXGVKJSA-N -1 0 310.306 -0.774 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)c1cc(N2CCOCC2)ncn1 ZINC001574594466 1026798446 /nfs/dbraw/zinc/79/84/46/1026798446.db2.gz WKRORMSRRVEPLS-UHFFFAOYSA-N -1 0 318.293 -0.013 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)C1 ZINC001574644200 1026800129 /nfs/dbraw/zinc/80/01/29/1026800129.db2.gz POFUPYAZAPWDIM-RTXFEEFZSA-N -1 0 322.317 -0.183 20 0 DBADRM O=C([O-])C1(C(=O)NCCCn2cccnc2=O)CCOCC1 ZINC001574631020 1026800496 /nfs/dbraw/zinc/80/04/96/1026800496.db2.gz YZKDHRVOBRBQSE-UHFFFAOYSA-N -1 0 309.322 -0.369 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NN2CCS(=O)(=O)CC2)CO1 ZINC001574687884 1026801150 /nfs/dbraw/zinc/80/11/50/1026801150.db2.gz XLCQGQQVKWMYHI-NXEZZACHSA-N -1 0 320.367 -0.982 20 0 DBADRM C[C@H](O)[C@H](NC(=O)Cn1ncc(=O)c2ccccc21)C(=O)[O-] ZINC001574662534 1026801457 /nfs/dbraw/zinc/80/14/57/1026801457.db2.gz SDCFRIJMKDTIEJ-SDBXPKJASA-N -1 0 305.290 -0.653 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C/[C@H]1CCOC1 ZINC001574670145 1026801582 /nfs/dbraw/zinc/80/15/82/1026801582.db2.gz YIWLVSAKOIIJBU-SPMHKISASA-N -1 0 303.336 -0.711 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1cc(=O)c(O)co1 ZINC001574670173 1026801681 /nfs/dbraw/zinc/80/16/81/1026801681.db2.gz YXPXAIODWKOSNY-MRVPVSSYSA-N -1 0 303.292 -0.971 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccnc(F)c1 ZINC001574668564 1026801846 /nfs/dbraw/zinc/80/18/46/1026801846.db2.gz ABPZQAKIHKBFMQ-QMMMGPOBSA-N -1 0 302.283 -0.456 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)NCc2nnnn2CC2CC2)CO1 ZINC001574686068 1026802008 /nfs/dbraw/zinc/80/20/08/1026802008.db2.gz IMMDOMTUKLGNMT-QWRGUYRKSA-N -1 0 323.353 -0.031 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC12CCOCC2 ZINC001574669145 1026802134 /nfs/dbraw/zinc/80/21/34/1026802134.db2.gz QKTWSUPKOGOQRY-VHSXEESVSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCC[C@H]2c2nc[nH]n2)C1=O ZINC001574720141 1026803086 /nfs/dbraw/zinc/80/30/86/1026803086.db2.gz SFFREQDDSKRREW-UWVGGRQHSA-N -1 0 321.337 -0.209 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)CCn2cncn2)C1=O ZINC001574721925 1026803130 /nfs/dbraw/zinc/80/31/30/1026803130.db2.gz ILPXHNYENWIWSM-SNVBAGLBSA-N -1 0 309.326 -0.750 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)CCCc2nnn[n-]2)C1=O ZINC001574723013 1026803158 /nfs/dbraw/zinc/80/31/58/1026803158.db2.gz VIPURGILKXBUOC-SECBINFHSA-N -1 0 324.341 -0.896 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2C[C@@H]3[C@H](O)CC[C@@H]3C2)C1=O ZINC001574719758 1026803427 /nfs/dbraw/zinc/80/34/27/1026803427.db2.gz NFSAWEPMHDYBNF-WISYIIOYSA-N -1 0 310.350 -0.461 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N[C@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC000424514169 282082519 /nfs/dbraw/zinc/08/25/19/282082519.db2.gz FWBSKZROVOKZNE-VIFPVBQESA-N -1 0 313.354 -0.660 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1c(C)onc1N ZINC000567349330 412489315 /nfs/dbraw/zinc/48/93/15/412489315.db2.gz HUOZHDKWSKQKFG-UHFFFAOYSA-N -1 0 307.328 -0.323 20 0 DBADRM CCC(CC)(CNC(=O)N1CCC[C@](O)(C(N)=O)C1)C(=O)[O-] ZINC000262550213 282092660 /nfs/dbraw/zinc/09/26/60/282092660.db2.gz SGWZMRRKBRPJHQ-CQSZACIVSA-N -1 0 315.370 -0.101 20 0 DBADRM COCCS(=O)(=O)NC[C@H](Cc1cccnc1)C(=O)[O-] ZINC000275268762 536753718 /nfs/dbraw/zinc/75/37/18/536753718.db2.gz MXPVFJQLMJQDDO-NSHDSACASA-N -1 0 302.352 -0.109 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)NCCc2nc(N)no2)s[n-]1 ZINC000350654688 412507581 /nfs/dbraw/zinc/50/75/81/412507581.db2.gz VCXMVFQIBRCPRD-RXMQYKEDSA-N -1 0 313.343 -0.003 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(C)onc2N)C1 ZINC000530149448 412508455 /nfs/dbraw/zinc/50/84/55/412508455.db2.gz CAACRXWVJUKRJL-JTQLQIEISA-N -1 0 305.312 -0.571 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1c(N)noc1C)C(=O)[O-] ZINC000570167099 412512553 /nfs/dbraw/zinc/51/25/53/412512553.db2.gz UGDSEKGSSAGFMC-ZCFIWIBFSA-N -1 0 321.311 -0.750 20 0 DBADRM CNS(=O)(=O)CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262397919 290738898 /nfs/dbraw/zinc/73/88/98/290738898.db2.gz NSUSODLUSRIPPE-BBBLOLIVSA-N -1 0 304.368 -0.220 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000565233589 412526383 /nfs/dbraw/zinc/52/63/83/412526383.db2.gz VUIRICJRBXRDIE-YUMQZZPRSA-N -1 0 319.339 -0.589 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000408093846 412527392 /nfs/dbraw/zinc/52/73/92/412527392.db2.gz DRLKGXKIHXBNEB-ZETCQYMHSA-N -1 0 316.339 -0.761 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1C ZINC000582669697 412527071 /nfs/dbraw/zinc/52/70/71/412527071.db2.gz CFVJBDGTXFPXSZ-WDSKDSINSA-N -1 0 307.353 0.102 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C(=O)[O-] ZINC000573093509 412527082 /nfs/dbraw/zinc/52/70/82/412527082.db2.gz GLIBEIDYIBXOPL-HAFWLYHUSA-N -1 0 319.339 -0.184 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)C[C@H]1CCCC(=O)N1 ZINC000408478085 412527756 /nfs/dbraw/zinc/52/77/56/412527756.db2.gz PSPDQKDXJMYMMD-SSDOTTSWSA-N -1 0 316.339 -0.571 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCSC[C@H]1C(=O)[O-] ZINC000214791450 291000896 /nfs/dbraw/zinc/00/08/96/291000896.db2.gz LZXZXBLQTWQFCR-QMMMGPOBSA-N -1 0 311.381 -0.229 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000372731185 291009730 /nfs/dbraw/zinc/00/97/30/291009730.db2.gz ZTJCMGFRUFDRKV-NSHDSACASA-N -1 0 308.356 -0.335 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)CCC(F)(F)F)C(=O)OC ZINC000340862634 138100733 /nfs/dbraw/zinc/10/07/33/138100733.db2.gz OXYHTHXNZRWIKH-LURJTMIESA-N -1 0 321.273 -0.037 20 0 DBADRM NC(=O)[C@H](CO)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000341725844 138113786 /nfs/dbraw/zinc/11/37/86/138113786.db2.gz DAFGEUVOQGUJQM-VIFPVBQESA-N -1 0 308.269 -0.707 20 0 DBADRM CN(CCNC(=O)C(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000354966600 138138620 /nfs/dbraw/zinc/13/86/20/138138620.db2.gz MNIJNBNSOPFFFU-UHFFFAOYSA-N -1 0 304.299 -0.353 20 0 DBADRM COCCS(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1OC ZINC000357413367 138145197 /nfs/dbraw/zinc/14/51/97/138145197.db2.gz PZOPUHGANZYUBV-UHFFFAOYSA-N -1 0 324.380 -0.269 20 0 DBADRM NC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC000343082026 138131184 /nfs/dbraw/zinc/13/11/84/138131184.db2.gz WDKUKKIPVXNPQS-JTQLQIEISA-N -1 0 317.305 -0.087 20 0 DBADRM O=C(CNS(=O)(=O)c1cccs1)NCc1n[nH]c(=O)[n-]1 ZINC000354912500 138137518 /nfs/dbraw/zinc/13/75/18/138137518.db2.gz FKPUMJCXBAWAKD-UHFFFAOYSA-N -1 0 317.352 -0.834 20 0 DBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)s[n-]1 ZINC000362197729 138151355 /nfs/dbraw/zinc/15/13/55/138151355.db2.gz CZGOOTUOZGOTGR-JIGDXULJSA-N -1 0 310.379 -0.043 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCCS(C)(=O)=O)C1 ZINC000362325326 138152327 /nfs/dbraw/zinc/15/23/27/138152327.db2.gz RSRYRUAXNFYYLR-JTQLQIEISA-N -1 0 313.397 -0.453 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1c[nH]cn1 ZINC000362324682 138152477 /nfs/dbraw/zinc/15/24/77/138152477.db2.gz PDYUSTSHXZXYAM-ZETCQYMHSA-N -1 0 304.328 -0.990 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])CC1 ZINC000370423337 138157512 /nfs/dbraw/zinc/15/75/12/138157512.db2.gz UONCZPCNRZQYRC-BDAKNGLRSA-N -1 0 321.351 -0.821 20 0 DBADRM CC(=O)N[C@H](CC1CCC1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000370602361 138158853 /nfs/dbraw/zinc/15/88/53/138158853.db2.gz OCVMXKYFEDIZPS-VXGBXAGGSA-N -1 0 322.369 -0.206 20 0 DBADRM COCC1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2CCOC2)CC1 ZINC000370606098 138159048 /nfs/dbraw/zinc/15/90/48/138159048.db2.gz HIVHPBFIDRHHCJ-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000374873734 138179215 /nfs/dbraw/zinc/17/92/15/138179215.db2.gz DZLMLLOOMGBUCT-JGVFFNPUSA-N -1 0 311.367 -0.128 20 0 DBADRM O=C([C@@H]1CSCCS1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000372680352 138168889 /nfs/dbraw/zinc/16/88/89/138168889.db2.gz HVRVQYXJKUZPTI-YUMQZZPRSA-N -1 0 301.397 -0.052 20 0 DBADRM Cn1cc(-c2nc([C@H]3COCCN3C(=O)C(=O)[O-])no2)cn1 ZINC000375838486 138184400 /nfs/dbraw/zinc/18/44/00/138184400.db2.gz FWBVQKVUKJQLSN-MRVPVSSYSA-N -1 0 307.266 -0.545 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000376987533 138190193 /nfs/dbraw/zinc/19/01/93/138190193.db2.gz YCDSNFZHTJGISB-JDGPPOGSSA-N -1 0 319.317 -0.234 20 0 DBADRM O=C(COc1ccccc1O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000378197732 138197172 /nfs/dbraw/zinc/19/71/72/138197172.db2.gz CUUIDXORBIQLOQ-NSHDSACASA-N -1 0 305.294 -0.116 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000408136306 138208118 /nfs/dbraw/zinc/20/81/18/138208118.db2.gz CURACIOLUZSILK-SECBINFHSA-N -1 0 302.356 -0.216 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)n1 ZINC000408134095 138208163 /nfs/dbraw/zinc/20/81/63/138208163.db2.gz SELOIKONJIPVPM-VIFPVBQESA-N -1 0 302.356 -0.155 20 0 DBADRM Cn1nccc1C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000408167202 138209191 /nfs/dbraw/zinc/20/91/91/138209191.db2.gz WSJBTLKJNIHEDP-UHFFFAOYSA-N -1 0 311.323 -0.482 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)CC1=O ZINC000408250127 138212225 /nfs/dbraw/zinc/21/22/25/138212225.db2.gz IBSYSUKLPPQNHA-GHMZBOCLSA-N -1 0 318.395 -0.273 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408378555 138216620 /nfs/dbraw/zinc/21/66/20/138216620.db2.gz FVTFTYQZLJNMJJ-DTORHVGOSA-N -1 0 302.352 -0.373 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)C1 ZINC000408409245 138217893 /nfs/dbraw/zinc/21/78/93/138217893.db2.gz VSACKYULJZVNEK-NWDGAFQWSA-N -1 0 318.395 -0.130 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000408426575 138218763 /nfs/dbraw/zinc/21/87/63/138218763.db2.gz KQTLBXSBGZTIIN-WDEREUQCSA-N -1 0 318.395 -0.130 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408446433 138219188 /nfs/dbraw/zinc/21/91/88/138219188.db2.gz LLWCDVCCEUKCQA-NXEZZACHSA-N -1 0 304.368 -0.330 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408456278 138219560 /nfs/dbraw/zinc/21/95/60/138219560.db2.gz HHIAHVKGNKQZBX-QWRGUYRKSA-N -1 0 306.384 -0.668 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1cc2n(n1)CCCO2 ZINC000408489261 138220186 /nfs/dbraw/zinc/22/01/86/138220186.db2.gz QZVQDTVLVYYMRC-QMMMGPOBSA-N -1 0 301.324 -0.486 20 0 DBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)CCC(=O)NC1 ZINC000408479117 138220291 /nfs/dbraw/zinc/22/02/91/138220291.db2.gz LNSOYFPKCXGJJL-GXFFZTMASA-N -1 0 318.395 -0.082 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C1 ZINC000408487051 138220310 /nfs/dbraw/zinc/22/03/10/138220310.db2.gz URMBLZMXZKNAHM-UWVGGRQHSA-N -1 0 304.368 -0.520 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000408481759 138220345 /nfs/dbraw/zinc/22/03/45/138220345.db2.gz JNIUMYUVSCFQGG-JTQLQIEISA-N -1 0 316.383 -0.746 20 0 DBADRM Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000408482356 138220364 /nfs/dbraw/zinc/22/03/64/138220364.db2.gz UFBUIAUVFIBSPJ-UHFFFAOYSA-N -1 0 309.351 -0.010 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@@H]1CCCCS1(=O)=O ZINC000408484082 138220372 /nfs/dbraw/zinc/22/03/72/138220372.db2.gz YQEDOTHKCCDZGL-IUCAKERBSA-N -1 0 311.381 -0.811 20 0 DBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000408501580 138220380 /nfs/dbraw/zinc/22/03/80/138220380.db2.gz RHAQGUQOVDWGML-WOPDTQHZSA-N -1 0 302.396 -0.047 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)nnn1C ZINC000408489262 138220395 /nfs/dbraw/zinc/22/03/95/138220395.db2.gz QZWCIXNCMLIIKD-SECBINFHSA-N -1 0 302.356 -0.248 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cnccc1C ZINC000408505372 138220399 /nfs/dbraw/zinc/22/03/99/138220399.db2.gz WZPLJESUCUQAQM-NSHDSACASA-N -1 0 313.379 -0.084 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnccc1C ZINC000408505371 138220454 /nfs/dbraw/zinc/22/04/54/138220454.db2.gz WZPLJESUCUQAQM-LLVKDONJSA-N -1 0 313.379 -0.084 20 0 DBADRM C[C@]1(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)CCC(=O)NC1 ZINC000408479833 138220501 /nfs/dbraw/zinc/22/05/01/138220501.db2.gz NILWSNJASWTVDC-CABZTGNLSA-N -1 0 304.368 -0.472 20 0 DBADRM O=C([N-]S(=O)(=O)CC(F)(F)F)[C@@H]1CCCCS1(=O)=O ZINC000408481786 138220511 /nfs/dbraw/zinc/22/05/11/138220511.db2.gz SBWGSEJQDYSMKE-LURJTMIESA-N -1 0 323.314 -0.038 20 0 DBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000408483088 138220520 /nfs/dbraw/zinc/22/05/20/138220520.db2.gz JKVGHFAIILFFAE-UHFFFAOYSA-N -1 0 304.368 -0.376 20 0 DBADRM Cc1c(CC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cnn1C ZINC000408487166 138220565 /nfs/dbraw/zinc/22/05/65/138220565.db2.gz VCEWRMSIBOAWSR-NSHDSACASA-N -1 0 301.368 -0.104 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2C[C@@H](O)C2)c1 ZINC000412410420 237166119 /nfs/dbraw/zinc/16/61/19/237166119.db2.gz VBSZBUBPTHNUCR-DTORHVGOSA-N -1 0 314.363 -0.104 20 0 DBADRM O=C([O-])CN(CC(F)(F)F)S(=O)(=O)N1CCOCC1 ZINC000092436351 283559534 /nfs/dbraw/zinc/55/95/34/283559534.db2.gz BEIVQCFUQHAFJP-UHFFFAOYSA-N -1 0 306.262 -0.488 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)N1CCc2ccccc2C1 ZINC000093228513 283559936 /nfs/dbraw/zinc/55/99/36/283559936.db2.gz WQXZBSAPEBBWKJ-UHFFFAOYSA-N -1 0 314.363 -0.020 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000152885958 283578867 /nfs/dbraw/zinc/57/88/67/283578867.db2.gz QYMVSUJYGOCEAE-SNVBAGLBSA-N -1 0 305.338 -0.952 20 0 DBADRM Cn1nc(C(=O)NCCc2nc(=O)o[n-]2)c(=O)c2ccccc21 ZINC000447634518 238331480 /nfs/dbraw/zinc/33/14/80/238331480.db2.gz RAHZKVHDNAULMN-UHFFFAOYSA-N -1 0 315.289 -0.418 20 0 DBADRM O=C(CNC(=O)Cc1ccccc1)NCCc1nc(=O)o[n-]1 ZINC000447632115 238331949 /nfs/dbraw/zinc/33/19/49/238331949.db2.gz DWZGFNUPSLLENU-UHFFFAOYSA-N -1 0 304.306 -0.620 20 0 DBADRM O=C(Cn1cc(-c2ccccc2)nn1)NCCc1nc(=O)o[n-]1 ZINC000447637892 238335271 /nfs/dbraw/zinc/33/52/71/238335271.db2.gz XOLAZZMXLKZCOT-UHFFFAOYSA-N -1 0 314.305 -0.020 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)NC2(C(=O)[O-])CCCC2)CC1 ZINC000532862995 283625849 /nfs/dbraw/zinc/62/58/49/283625849.db2.gz LZCMFBMTJQZDTF-UHFFFAOYSA-N -1 0 319.383 -0.585 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC1(C(=O)[O-])CCCC1 ZINC000535499878 283652534 /nfs/dbraw/zinc/65/25/34/283652534.db2.gz ZVKUALKUPOPWEF-UHFFFAOYSA-N -1 0 308.356 -0.287 20 0 DBADRM C[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)[O-] ZINC000540671011 283683490 /nfs/dbraw/zinc/68/34/90/283683490.db2.gz UTDVMEYUPUAINV-ZETCQYMHSA-N -1 0 303.340 -0.285 20 0 DBADRM CC(=O)NCCN(C(=O)COC[C@@H]1CCCO1)[C@H](C)C(=O)[O-] ZINC000540966204 283686740 /nfs/dbraw/zinc/68/67/40/283686740.db2.gz UYGHEEIKWWBWSA-PWSUYJOCSA-N -1 0 316.354 -0.380 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@@H]1CCNC(=O)C1 ZINC000530490617 541327797 /nfs/dbraw/zinc/32/77/97/541327797.db2.gz KLQVYXCIPIWHEK-MRVPVSSYSA-N -1 0 302.294 -0.167 20 0 DBADRM N#Cc1ccc(F)c(CS(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000547579100 283745478 /nfs/dbraw/zinc/74/54/78/283745478.db2.gz FNXBFZAHYMTCEN-UHFFFAOYSA-N -1 0 316.310 -0.094 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000547591341 283745780 /nfs/dbraw/zinc/74/57/80/283745780.db2.gz JYLQFWDPBJUCAQ-SECBINFHSA-N -1 0 310.372 -0.627 20 0 DBADRM CCN(CC)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000547595942 283745945 /nfs/dbraw/zinc/74/59/45/283745945.db2.gz ATKIKLRUNYNOMP-BDAKNGLRSA-N -1 0 307.372 -0.777 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)NC1CC1)C(=O)[O-] ZINC000547548911 283743191 /nfs/dbraw/zinc/74/31/91/283743191.db2.gz VKTGZYBETZHSAI-SNVBAGLBSA-N -1 0 302.356 -0.251 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)N2CC[C@@H](C)C2)C(=O)[O-])c1 ZINC000547558110 283744337 /nfs/dbraw/zinc/74/43/37/283744337.db2.gz SPYLRSFNXUQGJL-MWLCHTKSSA-N -1 0 316.383 -0.179 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)c2c[nH]nc2C)C(=O)[O-])c1 ZINC000547557154 283744461 /nfs/dbraw/zinc/74/44/61/283744461.db2.gz ITXJBKAXQCJDLZ-SECBINFHSA-N -1 0 313.339 -0.345 20 0 DBADRM Nc1cccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])c1 ZINC000547605024 283746547 /nfs/dbraw/zinc/74/65/47/283746547.db2.gz LSEQKRXTHNBNIB-DGIBIBHMSA-N -1 0 318.376 -0.525 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CCOCC2)cn1 ZINC000547616111 283747543 /nfs/dbraw/zinc/74/75/43/283747543.db2.gz YDVYCPLGLIDHMK-NSHDSACASA-N -1 0 317.367 -0.032 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N(C)[C@H](COC)C(=O)[O-] ZINC000547916550 283758456 /nfs/dbraw/zinc/75/84/56/283758456.db2.gz RDZHEARYYCWOES-SECBINFHSA-N -1 0 311.356 -0.309 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-] ZINC000547919360 283759143 /nfs/dbraw/zinc/75/91/43/283759143.db2.gz HCAJZDJMMXOKIN-MNOVXSKESA-N -1 0 324.399 -0.379 20 0 DBADRM Cn1cc([C@@H](NS(=O)(=O)CC2CCOCC2)C(=O)[O-])cn1 ZINC000547878133 283755606 /nfs/dbraw/zinc/75/56/06/283755606.db2.gz XHIWCFZFQQJAFI-LLVKDONJSA-N -1 0 317.367 -0.108 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547874610 283755616 /nfs/dbraw/zinc/75/56/16/283755616.db2.gz IPSGUQBHTMPUTD-UWVGGRQHSA-N -1 0 317.367 -0.195 20 0 DBADRM COCCCS(=O)(=O)N[C@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000547883094 283756384 /nfs/dbraw/zinc/75/63/84/283756384.db2.gz WMJPVZFCYLKGNA-LLVKDONJSA-N -1 0 319.383 -0.091 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000547887407 283756844 /nfs/dbraw/zinc/75/68/44/283756844.db2.gz RHNDZLMJNFSWCR-MWLCHTKSSA-N -1 0 316.383 -0.266 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1[C@@H](C)SC[C@H]1C(=O)[O-] ZINC000547889882 283756884 /nfs/dbraw/zinc/75/68/84/283756884.db2.gz SDWRAWJYQDFYEB-PRJMDXOYSA-N -1 0 311.381 -0.027 20 0 DBADRM CS(=O)(=O)N[C@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000548204943 283770133 /nfs/dbraw/zinc/77/01/33/283770133.db2.gz WUZTUHSVLWXGLW-RXMQYKEDSA-N -1 0 301.246 -0.096 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)N(C)CC2CC2)C(=O)[O-])c1 ZINC000548209508 283770308 /nfs/dbraw/zinc/77/03/08/283770308.db2.gz RSPJUFWNGJBWNO-LLVKDONJSA-N -1 0 316.383 -0.179 20 0 DBADRM CC[C@H](C)CS(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000548217139 283770717 /nfs/dbraw/zinc/77/07/17/283770717.db2.gz PUCBLAVZEVRIJQ-UWVGGRQHSA-N -1 0 306.384 -0.115 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N(C(C)C)[C@@H](C)C(=O)[O-] ZINC000548218467 283770739 /nfs/dbraw/zinc/77/07/39/283770739.db2.gz YALYBAJPUKBOLV-VIFPVBQESA-N -1 0 310.372 -0.090 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1csc(C(=O)OC)c1)C(=O)[O-] ZINC000548218212 283770740 /nfs/dbraw/zinc/77/07/40/283770740.db2.gz WHGBPEYSUICDCB-SSDOTTSWSA-N -1 0 323.348 -0.087 20 0 DBADRM CCOc1ccc(S(=O)(=O)N[C@H](COC)C(=O)[O-])cn1 ZINC000548213137 283770890 /nfs/dbraw/zinc/77/08/90/283770890.db2.gz MDSIUXKZHMCTSN-SECBINFHSA-N -1 0 304.324 -0.142 20 0 DBADRM Cn1cnc2cc(S(=O)(=O)N(CCO)CC(=O)[O-])ccc21 ZINC000548238874 283771867 /nfs/dbraw/zinc/77/18/67/283771867.db2.gz QHLADZPMESYJGL-UHFFFAOYSA-N -1 0 313.335 -0.359 20 0 DBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000548232366 283771903 /nfs/dbraw/zinc/77/19/03/283771903.db2.gz NYSFGUBLHAQHAL-UWVGGRQHSA-N -1 0 323.367 -0.573 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000548268251 283773495 /nfs/dbraw/zinc/77/34/95/283773495.db2.gz JGUQYNPJZISWSG-VIFPVBQESA-N -1 0 310.372 -0.328 20 0 DBADRM CN(CC1CC1)S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000548549578 283784397 /nfs/dbraw/zinc/78/43/97/283784397.db2.gz OVEBVOUXYZTGRX-JTQLQIEISA-N -1 0 319.383 -0.904 20 0 DBADRM O=C([O-])[C@@]12CCC[C@@H]1CN(S(=O)(=O)N1CCOCC1)C2 ZINC000548573559 283785206 /nfs/dbraw/zinc/78/52/06/283785206.db2.gz CTFFQDPNMXZJKO-ZYHUDNBSSA-N -1 0 304.368 -0.250 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000548530943 283782388 /nfs/dbraw/zinc/78/23/88/283782388.db2.gz MRXQTLOSTDZJOX-MXWKQRLJSA-N -1 0 306.384 -0.222 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)CC1CCOCC1)[C@H]1CCOC1 ZINC000548528528 283782480 /nfs/dbraw/zinc/78/24/80/283782480.db2.gz GFDVQVOOTNNTHA-QWRGUYRKSA-N -1 0 307.368 -0.178 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)C[C@@H]2CCOC2)C(=O)[O-])c1 ZINC000548531367 283782984 /nfs/dbraw/zinc/78/29/84/283782984.db2.gz XPEBUPQWCQRYQR-MNOVXSKESA-N -1 0 317.367 -0.399 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)C1 ZINC000548532806 283783335 /nfs/dbraw/zinc/78/33/35/283783335.db2.gz NPVRCFUKBZGZGX-PSASIEDQSA-N -1 0 302.356 -0.278 20 0 DBADRM Cc1cc(C)n(C[C@H](NS(=O)(=O)NC2CC2)C(=O)[O-])n1 ZINC000548537993 283783736 /nfs/dbraw/zinc/78/37/36/283783736.db2.gz CRUADDNHORDVSA-JTQLQIEISA-N -1 0 302.356 -0.460 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])o1 ZINC000548547784 283784189 /nfs/dbraw/zinc/78/41/89/283784189.db2.gz FWSJZZHPNNWWKE-MRVPVSSYSA-N -1 0 321.307 -0.166 20 0 DBADRM Cc1cc(CS(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])on1 ZINC000548685013 283788806 /nfs/dbraw/zinc/78/88/06/283788806.db2.gz PNWKESOZGRKOGX-LLVKDONJSA-N -1 0 306.340 -0.124 20 0 DBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000548578076 283785763 /nfs/dbraw/zinc/78/57/63/283785763.db2.gz LKDIYXDTUFUSIS-GARJFASQSA-N -1 0 324.399 -0.238 20 0 DBADRM CC(C)CCS(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000548584709 283786026 /nfs/dbraw/zinc/78/60/26/283786026.db2.gz GNJSPEIRAIZTCM-VIFPVBQESA-N -1 0 313.397 -0.454 20 0 DBADRM COCCN(CCOC)S(=O)(=O)NC[C@H](C)CC(=O)[O-] ZINC000548595052 283787169 /nfs/dbraw/zinc/78/71/69/283787169.db2.gz MLQZEFYURGHRGD-SNVBAGLBSA-N -1 0 312.388 -0.474 20 0 DBADRM COCCN(CCOC)C(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000551242450 283809854 /nfs/dbraw/zinc/80/98/54/283809854.db2.gz VLFCRKOJIUMCHD-QWRGUYRKSA-N -1 0 304.343 -0.220 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)N1CCSCC1 ZINC000551998600 283911380 /nfs/dbraw/zinc/91/13/80/283911380.db2.gz IZDYZFNHLXIMQZ-MRVPVSSYSA-N -1 0 308.381 -0.661 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)[O-] ZINC000551996033 283910809 /nfs/dbraw/zinc/91/08/09/283910809.db2.gz FQTXIINIZAXOIH-QMMMGPOBSA-N -1 0 319.339 -0.587 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000554432832 283932927 /nfs/dbraw/zinc/93/29/27/283932927.db2.gz XQQYURGJBMFOER-SSDOTTSWSA-N -1 0 311.381 -0.025 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCCCF ZINC000554431079 283933106 /nfs/dbraw/zinc/93/31/06/283933106.db2.gz YGEJPXUXLASDGQ-IUCAKERBSA-N -1 0 310.347 -0.284 20 0 DBADRM CN(C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H]1COC[C@H]1O ZINC000554637074 283937918 /nfs/dbraw/zinc/93/79/18/283937918.db2.gz NSTNXIBONITDHO-GHMZBOCLSA-N -1 0 305.290 -0.138 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000554531438 283934844 /nfs/dbraw/zinc/93/48/44/283934844.db2.gz AJSAHYDNBAQUDF-PSASIEDQSA-N -1 0 303.340 -0.503 20 0 DBADRM CN(C)S(=O)(=O)N[C@H](Cc1c[nH]c2cccnc12)C(=O)[O-] ZINC000555955153 283948150 /nfs/dbraw/zinc/94/81/50/283948150.db2.gz RSYDFOCILDQBJP-SNVBAGLBSA-N -1 0 312.351 -0.045 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000555695084 283946218 /nfs/dbraw/zinc/94/62/18/283946218.db2.gz PMAAFRWRXRYSRI-HTRCEHHLSA-N -1 0 323.758 -0.159 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000556773987 283956087 /nfs/dbraw/zinc/95/60/87/283956087.db2.gz URNSUARWNSRHPQ-UWVGGRQHSA-N -1 0 317.367 -0.113 20 0 DBADRM CNS(=O)(=O)c1cccc(CNC(=O)NCC(=O)[O-])c1 ZINC000557774839 283969042 /nfs/dbraw/zinc/96/90/42/283969042.db2.gz JLDXWWFAIDLHLV-UHFFFAOYSA-N -1 0 301.324 -0.522 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC2(C(=O)[O-])CC2)cn1 ZINC000558591245 283975326 /nfs/dbraw/zinc/97/53/26/283975326.db2.gz UIBSEKSVBIXLIB-UHFFFAOYSA-N -1 0 300.292 -0.236 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000560078420 283987882 /nfs/dbraw/zinc/98/78/82/283987882.db2.gz QDGDKFRYUBLXAQ-RKDXNWHRSA-N -1 0 308.356 -0.743 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)[O-] ZINC000560419738 283991992 /nfs/dbraw/zinc/99/19/92/283991992.db2.gz RYAKDJFRQZBBRN-RKDXNWHRSA-N -1 0 305.356 -0.379 20 0 DBADRM CCc1nncn1CCNS(=O)(=O)[N-]CC(F)(F)F ZINC000561482500 284002505 /nfs/dbraw/zinc/00/25/05/284002505.db2.gz ABJWEQIOKYXGEQ-UHFFFAOYSA-N -1 0 301.294 -0.173 20 0 DBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1cccc2nonc21 ZINC000274966155 304136558 /nfs/dbraw/zinc/13/65/58/304136558.db2.gz BWPMEEHZRBUTSN-QMMMGPOBSA-N -1 0 313.291 -0.303 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-] ZINC000562651131 284013711 /nfs/dbraw/zinc/01/37/11/284013711.db2.gz FYYTZNZHMCDPET-VIFPVBQESA-N -1 0 317.367 -0.019 20 0 DBADRM CN(Cc1cnccn1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000563075595 284021284 /nfs/dbraw/zinc/02/12/84/284021284.db2.gz YLHYTKRUZNLZKM-JTQLQIEISA-N -1 0 314.367 -0.050 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2cccnc2C(=O)[O-])CCO1 ZINC000563071000 284021554 /nfs/dbraw/zinc/02/15/54/284021554.db2.gz QVAJDWJBKLVOJD-SECBINFHSA-N -1 0 316.335 -0.184 20 0 DBADRM O=c1nc(CCNS(=O)(=O)c2cccc3c2OCC3)[n-]o1 ZINC000562928919 284017426 /nfs/dbraw/zinc/01/74/26/284017426.db2.gz IWEXGAQFKIIZFA-UHFFFAOYSA-N -1 0 311.319 -0.181 20 0 DBADRM CCOc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000562968142 284017847 /nfs/dbraw/zinc/01/78/47/284017847.db2.gz XBBNKYCAHYBYIZ-JTQLQIEISA-N -1 0 316.335 -0.046 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1cnn2c1OCCC2 ZINC000563075982 284021595 /nfs/dbraw/zinc/02/15/95/284021595.db2.gz VYSAYBKDGXCYHI-UHFFFAOYSA-N -1 0 305.312 -0.955 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C[C@H](C)O1 ZINC000563069896 284021617 /nfs/dbraw/zinc/02/16/17/284021617.db2.gz XXCRMVGOCIPDDM-GARJFASQSA-N -1 0 322.383 -0.484 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000563114774 284024422 /nfs/dbraw/zinc/02/44/22/284024422.db2.gz MWBYOMSERBKQEH-SECBINFHSA-N -1 0 318.337 -0.267 20 0 DBADRM Cn1ccnc(N2CCN(C(=O)NCCCC(=O)[O-])CC2)c1=O ZINC000563078189 284021910 /nfs/dbraw/zinc/02/19/10/284021910.db2.gz OFKKALIBZYRTMV-UHFFFAOYSA-N -1 0 323.353 -0.523 20 0 DBADRM CCC[C@]1(C)C(=O)NCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000275892644 284028754 /nfs/dbraw/zinc/02/87/54/284028754.db2.gz PVOUZJPHCAXCEA-GFCCVEGCSA-N -1 0 313.383 -0.293 20 0 DBADRM CC[C@@H](C)C[C@H](NC(=O)CNC(=O)CNC(C)=O)C(=O)[O-] ZINC000563200567 284028922 /nfs/dbraw/zinc/02/89/22/284028922.db2.gz IKHLHFZFEKMDSC-SCZZXKLOSA-N -1 0 301.343 -0.756 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)o1 ZINC000563450920 284040844 /nfs/dbraw/zinc/04/08/44/284040844.db2.gz VDIAJUSMZPVRDX-LJGSYFOKSA-N -1 0 302.308 -0.219 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C(=O)[O-] ZINC000563537652 284042688 /nfs/dbraw/zinc/04/26/88/284042688.db2.gz UWZRLPQKZMGHHM-ARENWVFISA-N -1 0 317.367 -0.020 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@H]1C(=O)[O-] ZINC000563537655 284042747 /nfs/dbraw/zinc/04/27/47/284042747.db2.gz UWZRLPQKZMGHHM-NMLBEHRDSA-N -1 0 317.367 -0.020 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H](Cc1ccco1)C(=O)[O-] ZINC000563716124 284047634 /nfs/dbraw/zinc/04/76/34/284047634.db2.gz NDPYALFKDBLEHO-PSASIEDQSA-N -1 0 318.351 -0.329 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC000563881047 284051275 /nfs/dbraw/zinc/05/12/75/284051275.db2.gz BYZPKFBCAUQZPX-LLVKDONJSA-N -1 0 303.340 -0.359 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000563940309 284052444 /nfs/dbraw/zinc/05/24/44/284052444.db2.gz WFYZVRLHURGRBX-QMMMGPOBSA-N -1 0 309.340 -0.699 20 0 DBADRM COc1ccc(-c2nnn(CC(=O)NCC(=O)[O-])n2)cc1OC ZINC000563907393 284052579 /nfs/dbraw/zinc/05/25/79/284052579.db2.gz OPKIOGIQDCZTCS-UHFFFAOYSA-N -1 0 321.293 -0.442 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2ccn(C)n2)C[C@H]1C(=O)[O-] ZINC000563811030 284049730 /nfs/dbraw/zinc/04/97/30/284049730.db2.gz QDPAPYQQBZUBBI-MWLCHTKSSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ncnn1-c1ccccc1 ZINC000564624128 284063533 /nfs/dbraw/zinc/06/35/33/284063533.db2.gz MQCPWMJRQULJKL-JTQLQIEISA-N -1 0 323.378 -0.092 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000564638127 284063553 /nfs/dbraw/zinc/06/35/53/284063553.db2.gz VGTMPSDISVLYNY-LPEHRKFASA-N -1 0 310.372 -0.580 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NC[C@H](OC)C(=O)[O-])CCC1 ZINC000564637653 284063628 /nfs/dbraw/zinc/06/36/28/284063628.db2.gz CMURSATZMJLTMZ-QMMMGPOBSA-N -1 0 309.340 -0.651 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1ccc(N(C)C)nc1)C(=O)[O-] ZINC000564725859 284065700 /nfs/dbraw/zinc/06/57/00/284065700.db2.gz FDUNDGDVPTZHAF-LBPRGKRZSA-N -1 0 317.367 -0.084 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000564797829 284067372 /nfs/dbraw/zinc/06/73/72/284067372.db2.gz DFACOPSBONJTEZ-VIFPVBQESA-N -1 0 310.310 -0.599 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000564824395 284067768 /nfs/dbraw/zinc/06/77/68/284067768.db2.gz MIINRNOANDSSPS-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cnc3n2CCC3)CCO1 ZINC000564920314 284071824 /nfs/dbraw/zinc/07/18/24/284071824.db2.gz FRIOZOOGMBNHAF-QMMMGPOBSA-N -1 0 301.324 -0.697 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)CC2)C[C@H]1C(=O)[O-] ZINC000564972516 284075289 /nfs/dbraw/zinc/07/52/89/284075289.db2.gz VLQSIZNQBHQNNZ-DGCLKSJQSA-N -1 0 323.393 -0.138 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CN1CC(=O)NC1=O ZINC000262327536 304143561 /nfs/dbraw/zinc/14/35/61/304143561.db2.gz DMKDWIVMHDZICQ-AEJSXWLSSA-N -1 0 309.322 -0.218 20 0 DBADRM CO[C@H](CNC(=O)Cn1nnnc1-c1ccsc1)C(=O)[O-] ZINC000565029553 284078575 /nfs/dbraw/zinc/07/85/75/284078575.db2.gz AHZLMKDFEXFUOY-MRVPVSSYSA-N -1 0 311.323 -0.383 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C1(C(=O)[O-])CCC1 ZINC000565031501 284078584 /nfs/dbraw/zinc/07/85/84/284078584.db2.gz GKGOICQLNKZRBX-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CC(C)(C)c1cc(CS(=O)(=O)N[C@@H](CO)C(=O)[O-])no1 ZINC000565054623 284080194 /nfs/dbraw/zinc/08/01/94/284080194.db2.gz MUVXRFLKCXMBCE-QMMMGPOBSA-N -1 0 306.340 -0.163 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2cc(=O)n3ccccc3n2)O1 ZINC000565041969 284079025 /nfs/dbraw/zinc/07/90/25/284079025.db2.gz JMYHPYJMEUXFPF-MNOVXSKESA-N -1 0 317.301 -0.057 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000565301430 284092166 /nfs/dbraw/zinc/09/21/66/284092166.db2.gz VBAPRTNVZDJXEQ-VIFPVBQESA-N -1 0 312.413 -0.299 20 0 DBADRM CCOC(=O)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(F)(F)F ZINC000598052059 376193909 /nfs/dbraw/zinc/19/39/09/376193909.db2.gz ZPFDPPBXWCMKAG-BYPYZUCNSA-N -1 0 324.215 -0.103 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCOC[C@]12CCOC2 ZINC000565361404 284093725 /nfs/dbraw/zinc/09/37/25/284093725.db2.gz NAIAKNLCRUHVJU-ZYHUDNBSSA-N -1 0 320.367 -0.729 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)CCCC(=O)[O-] ZINC000565539096 284098548 /nfs/dbraw/zinc/09/85/48/284098548.db2.gz WEWZSRKWBRXULR-VIFPVBQESA-N -1 0 315.413 -0.064 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)C[C@H]1CCOC1)C(=O)[O-] ZINC000565592398 284099857 /nfs/dbraw/zinc/09/98/57/284099857.db2.gz QKESBKKDRJWDPL-UWVGGRQHSA-N -1 0 323.367 -0.261 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCOC[C@@H]1C1CC1 ZINC000565714720 284102853 /nfs/dbraw/zinc/10/28/53/284102853.db2.gz WOYLZNYTIVADTP-GHMZBOCLSA-N -1 0 304.368 -0.109 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000450539466 304146050 /nfs/dbraw/zinc/14/60/50/304146050.db2.gz KCTWIQVSLKDXRM-HBNTYKKESA-N -1 0 316.379 -0.266 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCc2onc(C(=O)[O-])c2C1 ZINC000565799111 284104697 /nfs/dbraw/zinc/10/46/97/284104697.db2.gz AABDMUHYLSLYCD-UHFFFAOYSA-N -1 0 319.339 -0.446 20 0 DBADRM COC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-] ZINC000565808162 284104790 /nfs/dbraw/zinc/10/47/90/284104790.db2.gz OEUAGKSNWSBAPE-QMMMGPOBSA-N -1 0 309.340 -0.651 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]c1c(C(N)=O)n[nH]c1C(C)C ZINC000565895349 284107070 /nfs/dbraw/zinc/10/70/70/284107070.db2.gz SBBWNOGXXISRSU-UHFFFAOYSA-N -1 0 319.387 -0.133 20 0 DBADRM COC(=O)C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC000598280746 376202098 /nfs/dbraw/zinc/20/20/98/376202098.db2.gz ZRUBRCKMQFXFEU-VIFPVBQESA-N -1 0 309.322 -0.195 20 0 DBADRM C[C@@H](O)CN1CCN(S(=O)(=O)[N-]CC(F)(F)F)C[C@H]1C ZINC000195307515 296186139 /nfs/dbraw/zinc/18/61/39/296186139.db2.gz WOCLHDCOQJQYBX-RKDXNWHRSA-N -1 0 319.349 -0.230 20 0 DBADRM C[C@@H](O)C[C@@H]1COCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000195455648 296193068 /nfs/dbraw/zinc/19/30/68/296193068.db2.gz YTKVNSPNYDIKMP-HTQZYQBOSA-N -1 0 306.306 -0.145 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2cccs2)C1 ZINC000170313179 304174621 /nfs/dbraw/zinc/17/46/21/304174621.db2.gz DZGKYSPGLYCKTL-QMMMGPOBSA-N -1 0 318.376 -0.041 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000020301913 182204419 /nfs/dbraw/zinc/20/44/19/182204419.db2.gz DPDMUYMZJMBHOS-QMMMGPOBSA-N -1 0 306.727 -0.053 20 0 DBADRM Cc1c([C@H](NS(=O)(=O)c2ccnn2C)C(=O)[O-])cnn1C ZINC000530436118 374257924 /nfs/dbraw/zinc/25/79/24/374257924.db2.gz FDPHETFTWGCCML-JTQLQIEISA-N -1 0 313.339 -0.434 20 0 DBADRM C=CCNC(=O)CN1CCN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CC1 ZINC000321008825 374269461 /nfs/dbraw/zinc/26/94/61/374269461.db2.gz NXTTUMXMQDZVNA-OLZOCXBDSA-N -1 0 323.393 -0.210 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](CO)CCF)cn1 ZINC000628007759 374355126 /nfs/dbraw/zinc/35/51/26/374355126.db2.gz LTXNIYQGINYPAK-SECBINFHSA-N -1 0 305.331 -0.097 20 0 DBADRM CCO[C@H](CS(=O)(=O)NCCc1nc(=O)o[n-]1)C1CC1 ZINC000625161242 374373923 /nfs/dbraw/zinc/37/39/23/374373923.db2.gz NKLUIIRQPPTCLM-SECBINFHSA-N -1 0 305.356 -0.360 20 0 DBADRM COCCn1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)cn1 ZINC000530542286 374392043 /nfs/dbraw/zinc/39/20/43/374392043.db2.gz SJARDAXZOYIQDN-SECBINFHSA-N -1 0 321.355 -0.703 20 0 DBADRM COCCOCCNC(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000314817270 374400326 /nfs/dbraw/zinc/40/03/26/374400326.db2.gz XTKFZCLDKFXJBC-ZDUSSCGKSA-N -1 0 304.343 -0.218 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000233691163 374379438 /nfs/dbraw/zinc/37/94/38/374379438.db2.gz GRNYBNCZIHBYER-ZETCQYMHSA-N -1 0 305.312 -0.516 20 0 DBADRM CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000234381594 374383291 /nfs/dbraw/zinc/38/32/91/374383291.db2.gz ZUBRMMJYYIAEHT-MRVPVSSYSA-N -1 0 317.367 -0.274 20 0 DBADRM CCNC(=O)[C@@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000037490392 374386494 /nfs/dbraw/zinc/38/64/94/374386494.db2.gz OPUAORFFPJTSLZ-SSDOTTSWSA-N -1 0 318.355 -0.611 20 0 DBADRM CCN(CC)S(=O)(=O)c1cc(C(=O)NCC(=O)[O-])n(C)c1 ZINC000022159160 182311511 /nfs/dbraw/zinc/31/15/11/182311511.db2.gz AYJQIQVYSXZIGD-UHFFFAOYSA-N -1 0 317.367 -0.130 20 0 DBADRM COC[C@@](C)(O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000530642408 374423097 /nfs/dbraw/zinc/42/30/97/374423097.db2.gz ULILAYMFLRTDRV-ZDUSSCGKSA-N -1 0 308.294 -0.437 20 0 DBADRM CCn1cc(S(=O)(=O)N(CCOC)CC(=O)[O-])nc1C ZINC000050265566 374423366 /nfs/dbraw/zinc/42/33/66/374423366.db2.gz ORYMASLGBHOYON-UHFFFAOYSA-N -1 0 305.356 -0.067 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N[C@H]2CCCNC2=O)cc1 ZINC000050397480 374424770 /nfs/dbraw/zinc/42/47/70/374424770.db2.gz MUXRPMCLBDGZPE-NSHDSACASA-N -1 0 312.347 -0.129 20 0 DBADRM CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1=O ZINC000092114810 374425934 /nfs/dbraw/zinc/42/59/34/374425934.db2.gz DRTHKQHFEYFOJM-UHFFFAOYSA-N -1 0 316.310 -0.013 20 0 DBADRM CCCCS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000124643342 374428446 /nfs/dbraw/zinc/42/84/46/374428446.db2.gz GWFDHGNOEJMXLI-VIFPVBQESA-N -1 0 313.397 -0.310 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)c1 ZINC000130826746 374430392 /nfs/dbraw/zinc/43/03/92/374430392.db2.gz CDXVMAVMZALUJQ-SNVBAGLBSA-N -1 0 313.339 -0.259 20 0 DBADRM COCCOCCNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000134700713 374431651 /nfs/dbraw/zinc/43/16/51/374431651.db2.gz UVSYLZJBDZMJKY-UHFFFAOYSA-N -1 0 310.353 -0.217 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC1(C(=O)[O-])CCC1 ZINC000164920839 374432018 /nfs/dbraw/zinc/43/20/18/374432018.db2.gz XSZLTJHDOGLFNM-VIFPVBQESA-N -1 0 320.367 -0.144 20 0 DBADRM Cn1cc(S(=O)(=O)NCC2(C(=O)[O-])CCC2)cc1C(N)=O ZINC000166668093 374432619 /nfs/dbraw/zinc/43/26/19/374432619.db2.gz QUWNEPOQPGSQGJ-UHFFFAOYSA-N -1 0 315.351 -0.343 20 0 DBADRM O=C(CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)NC1CC1 ZINC000047477500 374503909 /nfs/dbraw/zinc/50/39/09/374503909.db2.gz CFEPLLLRFZNPAK-UHFFFAOYSA-N -1 0 303.278 -0.968 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)C[C@H]1C(=O)N1CCOCC1 ZINC000616712225 374558438 /nfs/dbraw/zinc/55/84/38/374558438.db2.gz ZZTCMYSGAIBWGV-GHMZBOCLSA-N -1 0 322.365 -0.307 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634698326 374591566 /nfs/dbraw/zinc/59/15/66/374591566.db2.gz IYQHRYIVWIXTDD-UTUOFQBUSA-N -1 0 310.350 -0.196 20 0 DBADRM CC(C)[C@@H](CNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000087492506 374591816 /nfs/dbraw/zinc/59/18/16/374591816.db2.gz VDDQQWJEDSFVLH-SECBINFHSA-N -1 0 317.367 -0.241 20 0 DBADRM C[C@H]1CCCCN1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000089696219 374636394 /nfs/dbraw/zinc/63/63/94/374636394.db2.gz XDMCRCTURPZEKV-VIFPVBQESA-N -1 0 317.371 -0.315 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000088376746 374622957 /nfs/dbraw/zinc/62/29/57/374622957.db2.gz IONMDHUHDYYPQB-VIFPVBQESA-N -1 0 303.340 -0.489 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)C1 ZINC000584172394 374645334 /nfs/dbraw/zinc/64/53/34/374645334.db2.gz NNRZOAHVUUOKJW-LPEHRKFASA-N -1 0 320.367 -0.841 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000090262621 374649849 /nfs/dbraw/zinc/64/98/49/374649849.db2.gz SBAXVEUXMQLNCX-QMMMGPOBSA-N -1 0 303.292 -0.818 20 0 DBADRM COCCOc1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1 ZINC000090262798 374650184 /nfs/dbraw/zinc/65/01/84/374650184.db2.gz DFOSMWNGMQCUNC-LLVKDONJSA-N -1 0 319.335 -0.564 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1OC ZINC000090262584 374650330 /nfs/dbraw/zinc/65/03/30/374650330.db2.gz NDLXFIVJXADXDJ-MRVPVSSYSA-N -1 0 305.308 -0.572 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1OC ZINC000090262583 374650843 /nfs/dbraw/zinc/65/08/43/374650843.db2.gz NDLXFIVJXADXDJ-QMMMGPOBSA-N -1 0 305.308 -0.572 20 0 DBADRM CC(C)O[C@@]1(CS(=O)(=O)[N-][C@H]2COCCC2=O)CCOC1 ZINC000625493333 374659814 /nfs/dbraw/zinc/65/98/14/374659814.db2.gz XNOAWPSQFZIZQB-AAEUAGOBSA-N -1 0 321.395 -0.152 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-][C@@H]1COCCC1=O)C1CCOCC1 ZINC000625492391 374659986 /nfs/dbraw/zinc/65/99/86/374659986.db2.gz QMPBAXQIYMWEPH-YPMHNXCESA-N -1 0 321.395 -0.295 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@@H](C(=O)[O-])C2CC2)C1 ZINC000400112888 374809997 /nfs/dbraw/zinc/80/99/97/374809997.db2.gz GSDQOLBBKSJAIY-VHSXEESVSA-N -1 0 319.383 -0.427 20 0 DBADRM Cc1cc(C(=O)NC2(C(N)=O)CC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000426921714 374829521 /nfs/dbraw/zinc/82/95/21/374829521.db2.gz UEFBGRGYKJMMAR-UHFFFAOYSA-N -1 0 303.278 -0.508 20 0 DBADRM CC(C)OCCS(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000130836944 374774830 /nfs/dbraw/zinc/77/48/30/374774830.db2.gz SDHAWZUKGMBLPI-JTQLQIEISA-N -1 0 305.356 -0.110 20 0 DBADRM Cn1cc([C@@H](NS(=O)(=O)C[C@@H]2CCCO2)C(=O)[O-])cn1 ZINC000130817971 374775566 /nfs/dbraw/zinc/77/55/66/374775566.db2.gz BYLMUHGWWYUWRU-VHSXEESVSA-N -1 0 303.340 -0.356 20 0 DBADRM O=C(CCCS(=O)(=O)N1CCCC1)NCc1nnn[n-]1 ZINC000600496363 374786077 /nfs/dbraw/zinc/78/60/77/374786077.db2.gz FOAZMLCCVPCKEI-UHFFFAOYSA-N -1 0 302.360 -0.978 20 0 DBADRM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NCc1nnn[n-]1)C2=O ZINC000600502577 374787221 /nfs/dbraw/zinc/78/72/21/374787221.db2.gz QKYMDWGPIYZHJA-QMMMGPOBSA-N -1 0 314.305 -0.191 20 0 DBADRM CC(C)[C@@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400180082 374888000 /nfs/dbraw/zinc/88/80/00/374888000.db2.gz GUAOYYIIBJFOQS-DTWKUNHWSA-N -1 0 307.372 -0.571 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N(CC(=O)[O-])C2CC2)C1 ZINC000400184509 374888455 /nfs/dbraw/zinc/88/84/55/374888455.db2.gz ISICEAMYSGNKRD-QMMMGPOBSA-N -1 0 305.356 -0.721 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC000600657436 374836644 /nfs/dbraw/zinc/83/66/44/374836644.db2.gz REZUDEAKFFRTTR-RQJHMYQMSA-N -1 0 315.294 -0.081 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC000600660151 374837708 /nfs/dbraw/zinc/83/77/08/374837708.db2.gz REZUDEAKFFRTTR-RNFRBKRXSA-N -1 0 315.294 -0.081 20 0 DBADRM CC[C@](C)(NS(=O)(=O)c1cc(C(=O)NC)n(C)c1)C(=O)[O-] ZINC000094220775 374840360 /nfs/dbraw/zinc/84/03/60/374840360.db2.gz LHPABRQMOVFSFL-LBPRGKRZSA-N -1 0 317.367 -0.084 20 0 DBADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000634805144 374862975 /nfs/dbraw/zinc/86/29/75/374862975.db2.gz FPSSYZALXGNZSW-VHSXEESVSA-N -1 0 306.384 -0.022 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)Nc1cnn(CCF)c1)C(=O)[O-] ZINC000625950657 374942049 /nfs/dbraw/zinc/94/20/49/374942049.db2.gz AQXPMRAGFAUPAV-QMMMGPOBSA-N -1 0 300.290 -0.030 20 0 DBADRM C[C@H]1C(=O)NCCN1S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000113251236 374960316 /nfs/dbraw/zinc/96/03/16/374960316.db2.gz QFEYTTBCKFSPTG-LURJTMIESA-N -1 0 304.349 -0.045 20 0 DBADRM CCC(CC)(NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400313265 374914318 /nfs/dbraw/zinc/91/43/18/374914318.db2.gz VKFRXSIQNMJRTK-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N(CC[NH+](C)C)CC(=O)[O-])C[C@H](C)O1 ZINC000300239232 375039776 /nfs/dbraw/zinc/03/97/76/375039776.db2.gz NRTJANCFULGQIB-QWRGUYRKSA-N -1 0 323.415 -0.711 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000375696119 374978448 /nfs/dbraw/zinc/97/84/48/374978448.db2.gz GRZQSXWRAZICLC-BDAKNGLRSA-N -1 0 308.356 -0.479 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cn1C ZINC000050253157 374995960 /nfs/dbraw/zinc/99/59/60/374995960.db2.gz YJQMQHVLNUTXKA-SECBINFHSA-N -1 0 313.339 -0.574 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])CCN1S(C)(=O)=O ZINC000634910530 375071529 /nfs/dbraw/zinc/07/15/29/375071529.db2.gz DIOFIGZGVINMNG-AXFHLTTASA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CCN1S(C)(=O)=O ZINC000634929003 375076422 /nfs/dbraw/zinc/07/64/22/375076422.db2.gz CBYAJDVMIOIKNU-BBBLOLIVSA-N -1 0 304.368 -0.411 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)[C@@H]2CCC[C@H]2C(=O)[O-])CC1 ZINC000634924887 375077241 /nfs/dbraw/zinc/07/72/41/375077241.db2.gz LKHLCJJPUXISAI-GHMZBOCLSA-N -1 0 307.354 -0.035 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)CCN1S(C)(=O)=O ZINC000634929946 375079578 /nfs/dbraw/zinc/07/95/78/375079578.db2.gz VPKDHFCLBVDFGW-OPRDCNLKSA-N -1 0 318.395 -0.165 20 0 DBADRM CN1CCN(CC(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)CC1 ZINC000600965268 375084719 /nfs/dbraw/zinc/08/47/19/375084719.db2.gz IWLJBKCWQHTMBB-CQSZACIVSA-N -1 0 315.381 -0.347 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000408371739 375087767 /nfs/dbraw/zinc/08/77/67/375087767.db2.gz DNRLVKSRKBFXNK-UHFFFAOYSA-N -1 0 317.367 -0.293 20 0 DBADRM C[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000262718761 375089529 /nfs/dbraw/zinc/08/95/29/375089529.db2.gz UEQLGELTSBYYBW-SECBINFHSA-N -1 0 300.336 -0.056 20 0 DBADRM CC(C)(C)C(=O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000122335386 375050856 /nfs/dbraw/zinc/05/08/56/375050856.db2.gz CSCOOTMJCGUGCT-UHFFFAOYSA-N -1 0 304.306 -0.044 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)[C@@H]2CCC[C@H]2C(=O)[O-])CC1 ZINC000634856857 375061384 /nfs/dbraw/zinc/06/13/84/375061384.db2.gz CBRBZRSFYDUZAL-GHMZBOCLSA-N -1 0 318.395 -0.019 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000634856853 375061726 /nfs/dbraw/zinc/06/17/26/375061726.db2.gz BZSGELFTWPWBMX-UWVGGRQHSA-N -1 0 318.395 -0.163 20 0 DBADRM COC(C)(C)CS(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000566859430 375134784 /nfs/dbraw/zinc/13/47/84/375134784.db2.gz SPLLHGDXOKORIB-SNVBAGLBSA-N -1 0 319.383 -0.240 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2COC[C@H]2OC)C1 ZINC000635519028 375137094 /nfs/dbraw/zinc/13/70/94/375137094.db2.gz IMJTVRBMZITNCY-BREBYQMCSA-N -1 0 302.327 -0.467 20 0 DBADRM CC(C)(C)C(=O)N1CCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC000635522236 375137434 /nfs/dbraw/zinc/13/74/34/375137434.db2.gz XIJQVPWEIHUZQR-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM CC(C)CN1CCN(C(=O)NCCOCC(=O)[O-])[C@@H](C)C1=O ZINC000635525363 375141216 /nfs/dbraw/zinc/14/12/16/375141216.db2.gz WVFPRCVMKFMIFV-NSHDSACASA-N -1 0 315.370 -0.014 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C)C(=O)OC ZINC000134682464 375142870 /nfs/dbraw/zinc/14/28/70/375142870.db2.gz YNGZIUKULXDBJF-YFKPBYRVSA-N -1 0 308.337 -0.231 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000262805772 375163272 /nfs/dbraw/zinc/16/32/72/375163272.db2.gz NIRVNGBLJZHFGC-UHFFFAOYSA-N -1 0 318.355 -0.758 20 0 DBADRM O=C(CN1CCNCC1=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000567046775 375170464 /nfs/dbraw/zinc/17/04/64/375170464.db2.gz UXODXLSHPGEMTH-UHFFFAOYSA-N -1 0 318.362 -0.608 20 0 DBADRM Cc1cc(C)n(-c2nnc(SCc3n[nH]c(=O)[n-]3)n2N)n1 ZINC000091578694 375173591 /nfs/dbraw/zinc/17/35/91/375173591.db2.gz GKSMFUBUXXGAOT-UHFFFAOYSA-N -1 0 307.343 -0.502 20 0 DBADRM COCCN(CCOC)C(=O)N[C@H](CC(=O)OC)C(=O)[O-] ZINC000214128462 375197884 /nfs/dbraw/zinc/19/78/84/375197884.db2.gz LNGPJJSHDPCRMP-SECBINFHSA-N -1 0 306.315 -0.693 20 0 DBADRM O=C(NC[C@H]1CCCCO1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000140661615 375209243 /nfs/dbraw/zinc/20/92/43/375209243.db2.gz HSHFSLRJDSUAEC-SECBINFHSA-N -1 0 304.306 -0.090 20 0 DBADRM COc1ccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])cc1C(N)=O ZINC000290904810 375296413 /nfs/dbraw/zinc/29/64/13/375296413.db2.gz FLYKHHQOVIRKEH-VIFPVBQESA-N -1 0 314.319 -0.358 20 0 DBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2cn(C)nc2C)C1 ZINC000569966429 375326926 /nfs/dbraw/zinc/32/69/26/375326926.db2.gz ARLKRVCURBNDAP-NXEZZACHSA-N -1 0 317.367 -0.019 20 0 DBADRM CC(C)[C@H](CCO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000155205566 375363924 /nfs/dbraw/zinc/36/39/24/375363924.db2.gz RRJHPMREVUXCKB-JTQLQIEISA-N -1 0 306.322 -0.252 20 0 DBADRM CC(C)[C@@H](CCO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000155205455 375364179 /nfs/dbraw/zinc/36/41/79/375364179.db2.gz RRJHPMREVUXCKB-SNVBAGLBSA-N -1 0 306.322 -0.252 20 0 DBADRM CN(CC1C[NH+](C)C1)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC000636181103 375368414 /nfs/dbraw/zinc/36/84/14/375368414.db2.gz UPQINWMAYIYZLB-UHFFFAOYSA-N -1 0 301.354 -0.292 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)CCCc2nnn[n-]2)C1 ZINC000636226673 375376684 /nfs/dbraw/zinc/37/66/84/375376684.db2.gz AHFOZSVJJGRVKA-SNVBAGLBSA-N -1 0 309.374 -0.263 20 0 DBADRM COc1cc(OC)cc(N2CC[C@H](N=c3nn[n-]n3C)C2=O)c1 ZINC000570746960 375386241 /nfs/dbraw/zinc/38/62/41/375386241.db2.gz WPUZPSJRHQGCJE-LBPRGKRZSA-N -1 0 318.337 -0.133 20 0 DBADRM COc1cccc(C(=O)NCC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000262760448 375467632 /nfs/dbraw/zinc/46/76/32/375467632.db2.gz KMRMWDZNSKGZCB-LBPRGKRZSA-N -1 0 322.317 -0.263 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CO1 ZINC000574916726 375403564 /nfs/dbraw/zinc/40/35/64/375403564.db2.gz CVLFBCUSDUMEKX-KIGUWFBYSA-N -1 0 310.350 -0.007 20 0 DBADRM Cc1[n-]n(CC(C)C)c(=O)c1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000332775416 375409893 /nfs/dbraw/zinc/40/98/93/375409893.db2.gz DTZTYMLWWYDMIK-WDEREUQCSA-N -1 0 315.395 -0.220 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000262764646 375469569 /nfs/dbraw/zinc/46/95/69/375469569.db2.gz KIZBIWGHFBIEFR-SECBINFHSA-N -1 0 311.342 -0.308 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000262738648 375430537 /nfs/dbraw/zinc/43/05/37/375430537.db2.gz VWBOMELRKQGVCO-VHSXEESVSA-N -1 0 304.368 -0.219 20 0 DBADRM CC(C)Cc1nc(=NC(=O)Cn2ccc(=O)n(C)c2=O)s[n-]1 ZINC000618346946 375434166 /nfs/dbraw/zinc/43/41/66/375434166.db2.gz LHSCBQVGNKLPCL-UHFFFAOYSA-N -1 0 323.378 -0.342 20 0 DBADRM COC(=O)COCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000588299815 375449172 /nfs/dbraw/zinc/44/91/72/375449172.db2.gz SLHOSTHMYRNIPV-UHFFFAOYSA-N -1 0 324.340 -0.962 20 0 DBADRM COC(=O)c1cncc(S(=O)(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000589159341 375453147 /nfs/dbraw/zinc/45/31/47/375453147.db2.gz HRMBZQCUGCHEKQ-SSDOTTSWSA-N -1 0 302.308 -0.133 20 0 DBADRM Cn1nccc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000589269742 375455047 /nfs/dbraw/zinc/45/50/47/375455047.db2.gz MYEPKIOFHKNYRP-UHFFFAOYSA-N -1 0 316.364 -0.132 20 0 DBADRM CC[N@H+](CCO)CCNS(=O)(=O)c1c(C)nn(C)c1Cl ZINC000184339868 375549934 /nfs/dbraw/zinc/54/99/34/375549934.db2.gz AWSSDVFSSGSVRV-UHFFFAOYSA-N -1 0 324.834 -0.026 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000601384623 375595840 /nfs/dbraw/zinc/59/58/40/375595840.db2.gz DKJWTSVXJBIJAH-JGVFFNPUSA-N -1 0 301.311 -0.125 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000312804253 375575513 /nfs/dbraw/zinc/57/55/13/375575513.db2.gz HKUOSLVUKZQOEC-RKDXNWHRSA-N -1 0 307.372 -0.712 20 0 DBADRM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000601438035 375610992 /nfs/dbraw/zinc/61/09/92/375610992.db2.gz XZQIOTBTELAGKB-CBAPKCEASA-N -1 0 301.311 -0.125 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCS2)CCO1 ZINC000643163902 375649905 /nfs/dbraw/zinc/64/99/05/375649905.db2.gz YCHIJRPLDHBSQE-RKDXNWHRSA-N -1 0 302.352 -0.690 20 0 DBADRM CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643163823 375650121 /nfs/dbraw/zinc/65/01/21/375650121.db2.gz PKMROQSHVMKYSL-GARJFASQSA-N -1 0 314.338 -0.628 20 0 DBADRM COC[C@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C(C)C ZINC000643164740 375652200 /nfs/dbraw/zinc/65/22/00/375652200.db2.gz ITHQCNKIAAJCDR-UWVGGRQHSA-N -1 0 302.327 -0.914 20 0 DBADRM Cn1[n-]nnc1=NCc1ccccc1OCCN1CCOCC1 ZINC000531194886 375671454 /nfs/dbraw/zinc/67/14/54/375671454.db2.gz VTFAJNJAXAMJNT-UHFFFAOYSA-N -1 0 318.381 -0.045 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC000590899787 375699440 /nfs/dbraw/zinc/69/94/40/375699440.db2.gz OVCMQUYFZBWFRO-RNFRBKRXSA-N -1 0 319.339 -0.026 20 0 DBADRM COc1ccc(C(=O)NCCNC(=O)c2n[nH]c(=O)[n-]2)cc1 ZINC000617050780 375711889 /nfs/dbraw/zinc/71/18/89/375711889.db2.gz RHKQGQLUGHQEQD-UHFFFAOYSA-N -1 0 305.294 -0.321 20 0 DBADRM CCOC(=O)c1cc(S(=O)(=O)NCCC(=O)[O-])cn1C ZINC000032917104 182679947 /nfs/dbraw/zinc/67/99/47/182679947.db2.gz ZQZANAJKOZXSEI-UHFFFAOYSA-N -1 0 304.324 -0.045 20 0 DBADRM C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)[O-] ZINC000054310108 375765955 /nfs/dbraw/zinc/76/59/55/375765955.db2.gz WIPSYWBTNVJCBB-ZETCQYMHSA-N -1 0 304.324 -0.020 20 0 DBADRM O=C([O-])CSCC(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000592351126 375794065 /nfs/dbraw/zinc/79/40/65/375794065.db2.gz WRTUANVEDBMZRM-SECBINFHSA-N -1 0 301.368 -0.180 20 0 DBADRM O=C([O-])CSCC(=O)NCCCN1CCCS1(=O)=O ZINC000592355157 375794178 /nfs/dbraw/zinc/79/41/78/375794178.db2.gz RGXZQLYMDUYLEV-UHFFFAOYSA-N -1 0 310.397 -0.654 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)CSCC(=O)[O-])CCN2C1=O ZINC000592363139 375799156 /nfs/dbraw/zinc/79/91/56/375799156.db2.gz CKATXHGHVBYSII-MRVPVSSYSA-N -1 0 315.351 -0.701 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)CSCC(=O)[O-] ZINC000592362720 375799781 /nfs/dbraw/zinc/79/97/81/375799781.db2.gz HVQJLOYZOHVDCT-MRVPVSSYSA-N -1 0 310.397 -0.656 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000592440003 375804283 /nfs/dbraw/zinc/80/42/83/375804283.db2.gz DTAMATLHECNMAP-NZNBFCPWSA-N -1 0 318.395 -0.561 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)[C@@H]2CCN(C)S2(=O)=O)[n-]1 ZINC000592630096 375816468 /nfs/dbraw/zinc/81/64/68/375816468.db2.gz BXUBMBYMCIGJMT-QMMMGPOBSA-N -1 0 316.339 -0.441 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)[C@H]2CCN(C)S2(=O)=O)[n-]1 ZINC000592630095 375816853 /nfs/dbraw/zinc/81/68/53/375816853.db2.gz BXUBMBYMCIGJMT-MRVPVSSYSA-N -1 0 316.339 -0.441 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC1([C@@H](C)C(=O)[O-])CC1 ZINC000593274607 375854071 /nfs/dbraw/zinc/85/40/71/375854071.db2.gz UCEIWHWJEIAOSE-QMMMGPOBSA-N -1 0 308.356 -0.431 20 0 DBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)CCC(F)(F)F ZINC000593269878 375854118 /nfs/dbraw/zinc/85/41/18/375854118.db2.gz CEXQLLDFJKQBRR-QQOXFEPMSA-N -1 0 323.314 -0.214 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)CC1(COC)CCC1)C(=O)OC ZINC000593573692 375872158 /nfs/dbraw/zinc/87/21/58/375872158.db2.gz SDHIGKDZPNLFBG-SNVBAGLBSA-N -1 0 309.384 -0.090 20 0 DBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)CC1(OC)CCOCC1 ZINC000593595930 375873475 /nfs/dbraw/zinc/87/34/75/375873475.db2.gz LHEJVPYFAGYXGF-VIFPVBQESA-N -1 0 313.347 -0.388 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnc(C(=O)[O-])cn2)C[C@H](C)O1 ZINC000593920712 375897007 /nfs/dbraw/zinc/89/70/07/375897007.db2.gz BVNPAANOTXDOBK-XVKPBYJWSA-N -1 0 309.278 -0.423 20 0 DBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000594779718 375955781 /nfs/dbraw/zinc/95/57/81/375955781.db2.gz RBNZAUOGFRXQMN-KXUCPTDWSA-N -1 0 313.347 -0.532 20 0 DBADRM CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2cnn(C)c2)n1 ZINC000594465722 375928163 /nfs/dbraw/zinc/92/81/63/375928163.db2.gz FZDKWODRVSJOHP-UHFFFAOYSA-N -1 0 313.339 -0.020 20 0 DBADRM CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2ccn(C)n2)n1 ZINC000594462105 375932658 /nfs/dbraw/zinc/93/26/58/375932658.db2.gz KOVJGISEUSJUBU-UHFFFAOYSA-N -1 0 313.339 -0.020 20 0 DBADRM COC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000594541547 375934145 /nfs/dbraw/zinc/93/41/45/375934145.db2.gz BBKZCQGBIQCMDH-IUCAKERBSA-N -1 0 300.311 -0.765 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000594547013 375934570 /nfs/dbraw/zinc/93/45/70/375934570.db2.gz ZITKKQRAPHHQHJ-OQPBUACISA-N -1 0 300.311 -0.765 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000594543859 375934831 /nfs/dbraw/zinc/93/48/31/375934831.db2.gz INLVAYJPSDODJV-ZJUUUORDSA-N -1 0 314.338 -0.519 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cn1C ZINC000594526615 375935417 /nfs/dbraw/zinc/93/54/17/375935417.db2.gz DSYLPWOXYLYXPP-SSDOTTSWSA-N -1 0 311.294 -0.413 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000594527333 375935502 /nfs/dbraw/zinc/93/55/02/375935502.db2.gz DABRXLVDLYAXAV-WPRPVWTQSA-N -1 0 302.327 -0.337 20 0 DBADRM CCOC(=O)C[C@H](C)CNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000594530821 375935885 /nfs/dbraw/zinc/93/58/85/375935885.db2.gz VBJHSFSJCJKGKM-IUCAKERBSA-N -1 0 302.327 -0.471 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)C[S@](C)=O)C(=O)[O-] ZINC000594529999 375935942 /nfs/dbraw/zinc/93/59/42/375935942.db2.gz OPQYMWKXZAXCKN-DYCLVXDSSA-N -1 0 306.384 -0.657 20 0 DBADRM CC(C)OC(=O)CCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000594529845 375936011 /nfs/dbraw/zinc/93/60/11/375936011.db2.gz MOQUBBUCVUTGDM-SECBINFHSA-N -1 0 302.327 -0.329 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000594529946 375936320 /nfs/dbraw/zinc/93/63/20/375936320.db2.gz VNMHMUAVGIAJLW-VGMNWLOBSA-N -1 0 317.342 -0.537 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])cn1 ZINC000594573251 375938161 /nfs/dbraw/zinc/93/81/61/375938161.db2.gz MAUSENVYUNSKEP-QMMMGPOBSA-N -1 0 320.298 -0.041 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC2(C)CC1(C(=O)[O-])C2 ZINC000594674344 375939575 /nfs/dbraw/zinc/93/95/75/375939575.db2.gz WUSHZIVONLXJSJ-UHFFFAOYSA-N -1 0 320.367 -0.335 20 0 DBADRM CCC1CCN(S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])CC1 ZINC000594673777 375940026 /nfs/dbraw/zinc/94/00/26/375940026.db2.gz WUMGFYIWLGESGK-JTQLQIEISA-N -1 0 322.383 -0.041 20 0 DBADRM COC(=O)CCCCCS(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000594691883 375940901 /nfs/dbraw/zinc/94/09/01/375940901.db2.gz YXYVSAMZNPBOOQ-LBPRGKRZSA-N -1 0 323.367 -0.117 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000595275734 375988689 /nfs/dbraw/zinc/98/86/89/375988689.db2.gz GZYQSUDIRPAHJP-SQFXPLBJSA-N -1 0 304.368 -0.759 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000595275732 375989498 /nfs/dbraw/zinc/98/94/98/375989498.db2.gz GZYQSUDIRPAHJP-FFVOIRBGSA-N -1 0 304.368 -0.759 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000595275733 375989659 /nfs/dbraw/zinc/98/96/59/375989659.db2.gz GZYQSUDIRPAHJP-FHZGZLOMSA-N -1 0 304.368 -0.759 20 0 DBADRM COC(=O)C[C@@H](CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1CC1 ZINC000595276973 375991291 /nfs/dbraw/zinc/99/12/91/375991291.db2.gz ZRPNNOCOHLQUMC-SCZZXKLOSA-N -1 0 314.338 -0.471 20 0 DBADRM COC(=O)[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000596719088 376095160 /nfs/dbraw/zinc/09/51/60/376095160.db2.gz QECHNDHFXIQNTH-LURJTMIESA-N -1 0 302.308 -0.669 20 0 DBADRM COC(=O)CN(C(=O)CSCC(=O)[O-])C1CCOCC1 ZINC000595999690 376058932 /nfs/dbraw/zinc/05/89/32/376058932.db2.gz GYISVZZVCMMUQE-UHFFFAOYSA-N -1 0 305.352 -0.015 20 0 DBADRM CCOC(=O)Cn1[n-]c(C)c(C(=O)Nc2nncs2)c1=O ZINC000596011507 376059262 /nfs/dbraw/zinc/05/92/62/376059262.db2.gz ZJQHSZADYHAEHH-MRVPVSSYSA-N -1 0 311.323 -0.126 20 0 DBADRM COC(=O)c1cn(CCNC(=O)C2(C(=O)[O-])CC=CC2)nn1 ZINC000595998000 376066347 /nfs/dbraw/zinc/06/63/47/376066347.db2.gz BUVGIPKZIUGVNI-UHFFFAOYSA-N -1 0 308.294 -0.398 20 0 DBADRM CCOC(=O)[C@H](CO)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000597458531 376137205 /nfs/dbraw/zinc/13/72/05/376137205.db2.gz QRJBPNKGFLNQON-JTQLQIEISA-N -1 0 321.289 -0.316 20 0 DBADRM COC(=O)[C@](C)(O)CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000597508882 376141045 /nfs/dbraw/zinc/14/10/45/376141045.db2.gz SXGAMBMKWOCVPC-CQSZACIVSA-N -1 0 321.289 -0.316 20 0 DBADRM CCOC(=O)[C@](C)(O)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000597500249 376144313 /nfs/dbraw/zinc/14/43/13/376144313.db2.gz ATIOEIZKNJQRNQ-CYBMUJFWSA-N -1 0 309.278 -0.028 20 0 DBADRM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cnc([O-])n(C)c1=O ZINC000276212262 291635852 /nfs/dbraw/zinc/63/58/52/291635852.db2.gz HTOYXXUNYZQTLE-NGZCFLSTSA-N -1 0 321.333 -0.100 20 0 DBADRM COC(=O)c1n[nH]c2c1CN(C(=O)c1cc(=O)n(C)[n-]1)CC2 ZINC000597737876 376170518 /nfs/dbraw/zinc/17/05/18/376170518.db2.gz RRHZSSNRXKQPTR-UHFFFAOYSA-N -1 0 305.294 -0.166 20 0 DBADRM COc1ccc(C)cc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000036967180 182856239 /nfs/dbraw/zinc/85/62/39/182856239.db2.gz LEYHNCATMVXLGN-QMMMGPOBSA-N -1 0 316.335 -0.389 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)cn1C ZINC000054505325 376227147 /nfs/dbraw/zinc/22/71/47/376227147.db2.gz VHAOFCIXORACEV-SNVBAGLBSA-N -1 0 315.351 -0.474 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H]1COCCN1 ZINC000599106743 376244942 /nfs/dbraw/zinc/24/49/42/376244942.db2.gz HUOMNPMUQKELBJ-ZETCQYMHSA-N -1 0 321.380 -0.804 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C(=O)NCC2(C)C)on1 ZINC000599350534 376281579 /nfs/dbraw/zinc/28/15/79/376281579.db2.gz SZPWHVXEONDMBE-QMMMGPOBSA-N -1 0 317.323 -0.736 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCCNC2=O)on1 ZINC000599213532 376258267 /nfs/dbraw/zinc/25/82/67/376258267.db2.gz PQJDJTMLGYNOOP-SSDOTTSWSA-N -1 0 317.323 -0.592 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)CCOC1 ZINC000599256684 376264779 /nfs/dbraw/zinc/26/47/79/376264779.db2.gz CLAFLBCUEWOZDS-CABZTGNLSA-N -1 0 307.368 -0.195 20 0 DBADRM CCO[C@H](CS(=O)(=O)[N-][C@@H](COC)C(=O)OC)C1CC1 ZINC000599273942 376268295 /nfs/dbraw/zinc/26/82/95/376268295.db2.gz KPUDRRKTNHRMGA-WDEREUQCSA-N -1 0 309.384 -0.091 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C[S@@](C)=O)on1 ZINC000599274806 376268547 /nfs/dbraw/zinc/26/85/47/376268547.db2.gz DMELJCIDFOALMY-FWCARGHBSA-N -1 0 310.353 -0.494 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cn(C)nc2C)on1 ZINC000599272631 376269209 /nfs/dbraw/zinc/26/92/09/376269209.db2.gz UQPIAGGCPQJCTG-UHFFFAOYSA-N -1 0 314.323 -0.018 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C(=O)NCCF)on1 ZINC000599299247 376271918 /nfs/dbraw/zinc/27/19/18/376271918.db2.gz IPCZZXSQQAHBKZ-LURJTMIESA-N -1 0 323.302 -0.786 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C(=O)NCCF)on1 ZINC000599299248 376272195 /nfs/dbraw/zinc/27/21/95/376272195.db2.gz IPCZZXSQQAHBKZ-ZCFIWIBFSA-N -1 0 323.302 -0.786 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCCC(=O)N2)on1 ZINC000599293109 376277269 /nfs/dbraw/zinc/27/72/69/376277269.db2.gz QWGWMGHQFNKDFM-SSDOTTSWSA-N -1 0 317.323 -0.592 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@@H](C(N)=O)C2)on1 ZINC000599338098 376278128 /nfs/dbraw/zinc/27/81/28/376278128.db2.gz BEYDLRIGLQGTKE-OLQVQODUSA-N -1 0 303.296 -0.997 20 0 DBADRM CCC[C@H](NC(=O)Cn1cc(C(=O)OC)cn1)c1nnn[n-]1 ZINC000599654009 376321731 /nfs/dbraw/zinc/32/17/31/376321731.db2.gz QABNKJMCLXTVTG-VIFPVBQESA-N -1 0 307.314 -0.160 20 0 DBADRM CCC[C@@H](NC(=O)Cn1cc(C(=O)OC)cn1)c1nnn[n-]1 ZINC000599654008 376322721 /nfs/dbraw/zinc/32/27/21/376322721.db2.gz QABNKJMCLXTVTG-SECBINFHSA-N -1 0 307.314 -0.160 20 0 DBADRM CS(=O)(=O)N1CCc2cc(C(=O)NCc3nnn[n-]3)ccc21 ZINC000599334117 376283626 /nfs/dbraw/zinc/28/36/26/376283626.db2.gz FPTLJRLFWXERFM-UHFFFAOYSA-N -1 0 322.350 -0.548 20 0 DBADRM CCn1c2ccccc2n(CC(=O)NCc2nnn[n-]2)c1=O ZINC000599334171 376283961 /nfs/dbraw/zinc/28/39/61/376283961.db2.gz HIACAIFCHBWREW-UHFFFAOYSA-N -1 0 301.310 -0.348 20 0 DBADRM COC(=O)[C@@H](CF)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599941298 376350405 /nfs/dbraw/zinc/35/04/05/376350405.db2.gz GAVDSVMWTQNKRS-MRVPVSSYSA-N -1 0 319.314 -0.306 20 0 DBADRM C[C@@H](S[C@@H](C)C(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000601998481 376403111 /nfs/dbraw/zinc/40/31/11/376403111.db2.gz NANQSTQDXZOPSA-DTWKUNHWSA-N -1 0 324.424 -0.315 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)C(=O)OC ZINC000603164615 376523675 /nfs/dbraw/zinc/52/36/75/376523675.db2.gz WZBCASSEVZVVDQ-SECBINFHSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](C)CCC(=O)[O-])CC1 ZINC000070312111 376564223 /nfs/dbraw/zinc/56/42/23/376564223.db2.gz HOFVRLAQPGVHRW-SECBINFHSA-N -1 0 322.383 -0.041 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000603300773 376542632 /nfs/dbraw/zinc/54/26/32/376542632.db2.gz SBURBNKJXBOTAT-VXNVDRBHSA-N -1 0 301.311 -0.125 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H]1C(C)(C)C1(F)F ZINC000603299723 376543843 /nfs/dbraw/zinc/54/38/43/376543843.db2.gz KNZFOFNEZWXICQ-BQBZGAKWSA-N -1 0 301.311 -0.269 20 0 DBADRM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000603355791 376545661 /nfs/dbraw/zinc/54/56/61/376545661.db2.gz AYFUYLSMEYLDTE-BDAKNGLRSA-N -1 0 301.311 -0.125 20 0 DBADRM COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000603355794 376545957 /nfs/dbraw/zinc/54/59/57/376545957.db2.gz AYFUYLSMEYLDTE-RKDXNWHRSA-N -1 0 301.311 -0.125 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)N2CC(C(=O)[O-])C2)CC1 ZINC000071173230 376605954 /nfs/dbraw/zinc/60/59/54/376605954.db2.gz YDAUYSNNGSZEJG-UHFFFAOYSA-N -1 0 320.367 -0.477 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000313603143 376640940 /nfs/dbraw/zinc/64/09/40/376640940.db2.gz BNFPTWHWHRETFG-PWSUYJOCSA-N -1 0 307.368 -0.082 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1C#N ZINC000314752024 376648026 /nfs/dbraw/zinc/64/80/26/376648026.db2.gz RAWVTHWDNPVDDB-NSHDSACASA-N -1 0 311.319 -0.264 20 0 DBADRM CC(C)Oc1ncccc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000606116863 376726955 /nfs/dbraw/zinc/72/69/55/376726955.db2.gz HHWACRFUQBJZOM-UHFFFAOYSA-N -1 0 305.298 -0.363 20 0 DBADRM CCOc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1OC ZINC000606117994 376727577 /nfs/dbraw/zinc/72/75/77/376727577.db2.gz YXMOEYWTOWIQFG-UHFFFAOYSA-N -1 0 320.309 -0.138 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)N1CCCc2ccc(F)cc21 ZINC000606116049 376727987 /nfs/dbraw/zinc/72/79/87/376727987.db2.gz SWXOHXLYKWANBJ-UHFFFAOYSA-N -1 0 304.285 -0.066 20 0 DBADRM C[C@H](O)[C@H](NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)C(=O)[O-] ZINC000316673960 376696696 /nfs/dbraw/zinc/69/66/96/376696696.db2.gz UNNIVOWWJPRZTL-CDUCUWFYSA-N -1 0 307.262 -0.474 20 0 DBADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000316874044 376698859 /nfs/dbraw/zinc/69/88/59/376698859.db2.gz AIABOUMTUXRIIB-VIFPVBQESA-N -1 0 307.306 -0.243 20 0 DBADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000316874043 376699055 /nfs/dbraw/zinc/69/90/55/376699055.db2.gz AIABOUMTUXRIIB-SECBINFHSA-N -1 0 307.306 -0.243 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CCO1 ZINC000261993762 376764786 /nfs/dbraw/zinc/76/47/86/376764786.db2.gz UCMSWSWBAMJZTL-NWDGAFQWSA-N -1 0 310.350 -0.053 20 0 DBADRM CCNC(=O)COc1cccc(CNC(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000531464243 376754183 /nfs/dbraw/zinc/75/41/83/376754183.db2.gz DKSYJEQNCBJAGC-UHFFFAOYSA-N -1 0 319.321 -0.045 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000262560725 304199618 /nfs/dbraw/zinc/19/96/18/304199618.db2.gz ZPHCSRZUUNGQHS-LLVKDONJSA-N -1 0 318.285 -0.405 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000262103608 304200042 /nfs/dbraw/zinc/20/00/42/304200042.db2.gz JCCMQDFAGUFZCE-NWDGAFQWSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)C[C@@H]1CCCO1 ZINC000063155412 376812703 /nfs/dbraw/zinc/81/27/03/376812703.db2.gz HLKOZOOJMXXMLL-VHSXEESVSA-N -1 0 303.340 -0.496 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NCCSCC(=O)[O-])cs1 ZINC000262354103 376812761 /nfs/dbraw/zinc/81/27/61/376812761.db2.gz BVVSAUPFOGNEKN-UHFFFAOYSA-N -1 0 324.405 -0.057 20 0 DBADRM CS(=O)(=O)NCCNC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000262361501 376813628 /nfs/dbraw/zinc/81/36/28/376813628.db2.gz DDIYWSNJGZFZLT-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM CO[C@@H](C)c1nsc(=NC[C@H]2CS(=O)(=O)CCO2)[n-]1 ZINC000337881096 376900426 /nfs/dbraw/zinc/90/04/26/376900426.db2.gz URVYJJXCRHZNDX-YUMQZZPRSA-N -1 0 307.397 -0.107 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000262411348 376900852 /nfs/dbraw/zinc/90/08/52/376900852.db2.gz JEASNJFOWZGOGI-GFCCVEGCSA-N -1 0 321.333 -0.949 20 0 DBADRM CN(CC(=O)[O-])C(=O)CNC1=NS(=O)(=O)c2ccccc21 ZINC000262381540 376846103 /nfs/dbraw/zinc/84/61/03/376846103.db2.gz CTNVUBALALJQBR-UHFFFAOYSA-N -1 0 311.319 -0.732 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N(CC(=O)[O-])c2ccccc2)C1=O ZINC000337756239 376881697 /nfs/dbraw/zinc/88/16/97/376881697.db2.gz SORGYNHCPGKIQQ-UHFFFAOYSA-N -1 0 319.273 -0.475 20 0 DBADRM CC(C)CN(CC(=O)[O-])C(=O)CCN1CCCS1(=O)=O ZINC000262421996 376917694 /nfs/dbraw/zinc/91/76/94/376917694.db2.gz QJYLVIPPIHSYIL-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000262448857 376932687 /nfs/dbraw/zinc/93/26/87/376932687.db2.gz GXTUZFNJIHKVLX-IUCAKERBSA-N -1 0 302.352 -0.390 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)NC[C@]1(O)CCOC1 ZINC000339046217 377015912 /nfs/dbraw/zinc/01/59/12/377015912.db2.gz IADVZKTVRRGHFZ-SNVBAGLBSA-N -1 0 322.364 -0.641 20 0 DBADRM Cn1cc(C(=O)NCc2cccc(C(N)=O)c2)c(=O)[nH]c1=O ZINC000339066492 377015954 /nfs/dbraw/zinc/01/59/54/377015954.db2.gz SCUSACQNALJNHM-UHFFFAOYSA-N -1 0 302.290 -0.485 20 0 DBADRM CNC(=O)c1ccc(CNC(=O)c2cn(C)c(=O)[nH]c2=O)cc1 ZINC000339051934 377016155 /nfs/dbraw/zinc/01/61/55/377016155.db2.gz FVTMJPFKAGETEG-UHFFFAOYSA-N -1 0 316.317 -0.225 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)NC[C@]2(O)CCOC2)o1 ZINC000339050430 377016387 /nfs/dbraw/zinc/01/63/87/377016387.db2.gz NSLSTQPJBMUBJJ-GFCCVEGCSA-N -1 0 319.335 -0.114 20 0 DBADRM CCn1nncc1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000339079518 377018693 /nfs/dbraw/zinc/01/86/93/377018693.db2.gz NGQOIPKKGUCTCO-UHFFFAOYSA-N -1 0 317.356 -0.227 20 0 DBADRM C[C@@H]([C@@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C(=O)[O-])C1CC1 ZINC000575926955 377028099 /nfs/dbraw/zinc/02/80/99/377028099.db2.gz OOULGFYVZCZURW-NQMVMOMDSA-N -1 0 306.384 -0.118 20 0 DBADRM CN(CC(=O)[O-])C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000262505182 376984448 /nfs/dbraw/zinc/98/44/48/376984448.db2.gz ZHIIAHCLNBEMND-AWEZNQCLSA-N -1 0 305.290 -0.102 20 0 DBADRM COc1cccnc1[N-]S(=O)(=O)CCCCS(N)(=O)=O ZINC000571060169 377010773 /nfs/dbraw/zinc/01/07/73/377010773.db2.gz ASFVVWBGQZLXEH-UHFFFAOYSA-N -1 0 323.396 -0.099 20 0 DBADRM CC[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000531745042 377080285 /nfs/dbraw/zinc/08/02/85/377080285.db2.gz CPRDHMWQVKMMJH-JTQLQIEISA-N -1 0 300.336 -0.144 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000262934193 377105459 /nfs/dbraw/zinc/10/54/59/377105459.db2.gz YEIBTBBSAUHCNJ-SFYZADRCSA-N -1 0 318.355 -0.982 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CNC(=O)Cc2ccccc2)CCO1 ZINC000262923235 377107320 /nfs/dbraw/zinc/10/73/20/377107320.db2.gz FFVSISBYOUCMRE-GFCCVEGCSA-N -1 0 306.318 -0.343 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CC(=O)NCC(F)(F)F ZINC000263274465 377195666 /nfs/dbraw/zinc/19/56/66/377195666.db2.gz PXKBXHOCXVAJAY-UHFFFAOYSA-N -1 0 300.233 -0.385 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C(=O)[O-] ZINC000567471518 377139894 /nfs/dbraw/zinc/13/98/94/377139894.db2.gz PCNVBCSPLDZPRB-IVZWLZJFSA-N -1 0 310.372 -0.628 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCC2)o1 ZINC000263187135 377156835 /nfs/dbraw/zinc/15/68/35/377156835.db2.gz WYRJICYXACMPHZ-UHFFFAOYSA-N -1 0 302.308 -0.075 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000571404172 377220443 /nfs/dbraw/zinc/22/04/43/377220443.db2.gz QTHYOCMUJKHWJD-PSLIRLAXSA-N -1 0 322.317 -0.021 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)CSCC(=O)N1CCOCC1 ZINC000038019772 182966888 /nfs/dbraw/zinc/96/68/88/182966888.db2.gz FAEPORZDLKYDTF-UHFFFAOYSA-N -1 0 318.395 -0.098 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@H](C(=O)[O-])O1 ZINC000262186316 377268210 /nfs/dbraw/zinc/26/82/10/377268210.db2.gz HGMPAVYBZJZUFL-NXEZZACHSA-N -1 0 320.305 -0.804 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)N[C@@]1(C(=O)[O-])CCOC1)c2=O ZINC000262151067 377268257 /nfs/dbraw/zinc/26/82/57/377268257.db2.gz TZRLMFDMPOJLJG-HNNXBMFYSA-N -1 0 317.301 -0.024 20 0 DBADRM CCC[C@H](NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-] ZINC000262161299 377268512 /nfs/dbraw/zinc/26/85/12/377268512.db2.gz PEGOHSKWETVADV-JTQLQIEISA-N -1 0 301.343 -0.612 20 0 DBADRM Cn1cc(S(=O)(=O)NCC2CCCCC2)c(=O)n(C)c1=O ZINC000070828040 377248331 /nfs/dbraw/zinc/24/83/31/377248331.db2.gz TXLJOPXHEQXPIM-UHFFFAOYSA-N -1 0 315.395 -0.057 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1OC ZINC000262286481 377269500 /nfs/dbraw/zinc/26/95/00/377269500.db2.gz XQCANEUHDFZFJY-UHFFFAOYSA-N -1 0 303.292 -0.155 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000263302092 377258593 /nfs/dbraw/zinc/25/85/93/377258593.db2.gz NOPVKQSTVKJVCA-VIFPVBQESA-N -1 0 307.368 -0.098 20 0 DBADRM CCC[C@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000262264184 377269950 /nfs/dbraw/zinc/26/99/50/377269950.db2.gz GZQXXQNMWXAAGI-QMMMGPOBSA-N -1 0 318.355 -0.932 20 0 DBADRM O=C([O-])CNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000261635614 377259060 /nfs/dbraw/zinc/25/90/60/377259060.db2.gz FHJWELQYMUWDKR-UHFFFAOYSA-N -1 0 301.324 -0.386 20 0 DBADRM CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000263298420 377259492 /nfs/dbraw/zinc/25/94/92/377259492.db2.gz YUHMMHLNOIETOT-UHFFFAOYSA-N -1 0 300.336 -0.272 20 0 DBADRM COCCn1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cn1 ZINC000261742186 377261093 /nfs/dbraw/zinc/26/10/93/377261093.db2.gz UZCFIQVBIKNIAN-SNVBAGLBSA-N -1 0 303.340 -0.233 20 0 DBADRM C[C@H](NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000261727907 377261575 /nfs/dbraw/zinc/26/15/75/377261575.db2.gz SBCLJFGRPRITND-ZETCQYMHSA-N -1 0 307.349 -0.159 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000261771741 377262478 /nfs/dbraw/zinc/26/24/78/377262478.db2.gz ZDGLANIJCVOLFI-LLVKDONJSA-N -1 0 323.334 -0.100 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2cccn(C)c2=O)C[C@H]1C(=O)[O-] ZINC000571642005 377333212 /nfs/dbraw/zinc/33/32/12/377333212.db2.gz DZALQLBWABQPDN-NXEZZACHSA-N -1 0 321.333 -0.107 20 0 DBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)CN1CCC(=O)NC1=O)C2 ZINC000262243925 377270552 /nfs/dbraw/zinc/27/05/52/377270552.db2.gz ONEHBPMRHLNBBA-LKFCYVNXSA-N -1 0 309.322 -0.358 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N(CCC(=O)[O-])C(C)C ZINC000262378718 377272093 /nfs/dbraw/zinc/27/20/93/377272093.db2.gz GQNJFMXUHDBKIQ-UHFFFAOYSA-N -1 0 315.370 -0.269 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CN1C(=O)COc2ccccc21 ZINC000262394988 377272117 /nfs/dbraw/zinc/27/21/17/377272117.db2.gz JDFDCJURZQOJDE-UHFFFAOYSA-N -1 0 322.317 -0.028 20 0 DBADRM CN(CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1)S(C)(=O)=O ZINC000262409522 377272356 /nfs/dbraw/zinc/27/23/56/377272356.db2.gz BEIWLXYKSMATGU-LLVKDONJSA-N -1 0 314.363 -0.138 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CNC(=O)NCc1ccco1 ZINC000262374214 377273689 /nfs/dbraw/zinc/27/36/89/377273689.db2.gz FVEDZAHGVRHJCR-UHFFFAOYSA-N -1 0 313.310 -0.362 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NCC2(CO)COC2)cc1 ZINC000631176428 377337773 /nfs/dbraw/zinc/33/77/73/377337773.db2.gz QZTKFYGSTWQZFS-UHFFFAOYSA-N -1 0 305.338 -0.427 20 0 DBADRM COc1cccc(C[C@@H](C(=O)NCC(=O)[O-])n2nnnc2C)c1 ZINC000262570286 377278209 /nfs/dbraw/zinc/27/82/09/377278209.db2.gz CIUZZVSCHSTURV-LBPRGKRZSA-N -1 0 319.321 -0.025 20 0 DBADRM CO[C@@H](CNC(=O)CNS(=O)(=O)c1cccs1)C(=O)[O-] ZINC000262727260 377278420 /nfs/dbraw/zinc/27/84/20/377278420.db2.gz BCKHMOHQWHXJFF-ZETCQYMHSA-N -1 0 322.364 -0.758 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000262672745 377278583 /nfs/dbraw/zinc/27/85/83/377278583.db2.gz XNLMCPBMNHEGBB-ZJUUUORDSA-N -1 0 308.338 -0.392 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC[C@@H]2CCCOC2)cn1 ZINC000038044600 182979072 /nfs/dbraw/zinc/97/90/72/182979072.db2.gz ULOVJGGYAULRTP-VIFPVBQESA-N -1 0 303.340 -0.327 20 0 DBADRM CO[C@@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-] ZINC000263039580 377281304 /nfs/dbraw/zinc/28/13/04/377281304.db2.gz DIUUCVGZSWOWAS-ONGXEEELSA-N -1 0 310.306 -0.156 20 0 DBADRM COCc1cc(C(=O)OC)cc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000263049614 377281465 /nfs/dbraw/zinc/28/14/65/377281465.db2.gz FVQCKLDYOANKCF-UHFFFAOYSA-N -1 0 317.319 -0.018 20 0 DBADRM C[C@H]([C@H](C)NC(=O)c1cnc([O-])n(C)c1=O)N1CCOCC1 ZINC000267551409 377338002 /nfs/dbraw/zinc/33/80/02/377338002.db2.gz CJYZHHYDGVXUSI-VHSXEESVSA-N -1 0 310.354 -0.675 20 0 DBADRM Cn1cc([C@H]2CN(S(=O)(=O)CCCC(=O)[O-])CCO2)cn1 ZINC000571637962 377283253 /nfs/dbraw/zinc/28/32/53/377283253.db2.gz ADYCIECCFKGPOB-LLVKDONJSA-N -1 0 317.367 -0.012 20 0 DBADRM CN(C)C(=O)CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000263394115 377283373 /nfs/dbraw/zinc/28/33/73/377283373.db2.gz FCPHTFBUIAYHEQ-GFCCVEGCSA-N -1 0 318.333 -0.090 20 0 DBADRM COC(=O)[C@H]1C[C@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000263874975 377295819 /nfs/dbraw/zinc/29/58/19/377295819.db2.gz JSHPQDTWVASYPR-UHNVWZDZSA-N -1 0 320.352 -0.343 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)c1cccc2nonc21 ZINC000268860147 377376815 /nfs/dbraw/zinc/37/68/15/377376815.db2.gz MMMTUKDQJFDUGN-UHFFFAOYSA-N -1 0 305.337 -0.454 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000268918778 377378738 /nfs/dbraw/zinc/37/87/38/377378738.db2.gz RIPRKSUREPEALR-QWRGUYRKSA-N -1 0 323.349 -1.000 20 0 DBADRM COc1cc(C(=O)NCCO)cc([N-]S(C)(=O)=O)c1OC ZINC000269097103 377382993 /nfs/dbraw/zinc/38/29/93/377382993.db2.gz NFJQUGKAFIIZOQ-UHFFFAOYSA-N -1 0 318.351 -0.203 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N(C)CC(=O)[O-])ccc1F ZINC000269162978 377384147 /nfs/dbraw/zinc/38/41/47/377384147.db2.gz YVBPIBQWYGKZBJ-UHFFFAOYSA-N -1 0 304.299 -0.110 20 0 DBADRM CCC[C@H](NC(=O)Cn1cc(C(=O)OC)nn1)c1nnn[n-]1 ZINC000268176065 377344193 /nfs/dbraw/zinc/34/41/93/377344193.db2.gz KPVBTZPMAQUFSI-ZETCQYMHSA-N -1 0 308.302 -0.765 20 0 DBADRM C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000270428921 377446773 /nfs/dbraw/zinc/44/67/73/377446773.db2.gz HMPIPGOBDBXZMQ-QMMMGPOBSA-N -1 0 311.323 -0.196 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c(C(=O)OC)c1 ZINC000270539937 377454922 /nfs/dbraw/zinc/45/49/22/377454922.db2.gz XDEAMKVQCVERIK-UHFFFAOYSA-N -1 0 320.323 -0.477 20 0 DBADRM O=C(CN1CSCC1=O)Nc1n[nH]c(SCCO)n1 ZINC000270845198 377472327 /nfs/dbraw/zinc/47/23/27/377472327.db2.gz ITXNVZQJNCAPDC-UHFFFAOYSA-N -1 0 303.369 -0.640 20 0 DBADRM CC[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H](O)C(F)(F)F ZINC000270919040 377475168 /nfs/dbraw/zinc/47/51/68/377475168.db2.gz UPLTVSODKMECHK-RQJHMYQMSA-N -1 0 309.244 -0.083 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)[N-]OCC(N)=O)C1 ZINC000271433911 377497976 /nfs/dbraw/zinc/49/79/76/377497976.db2.gz SBVBKXNKLHQLSL-QMMMGPOBSA-N -1 0 303.315 -0.845 20 0 DBADRM CCOC(=O)NCCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000272598572 377520505 /nfs/dbraw/zinc/52/05/05/377520505.db2.gz DXMZJELZEMTKLK-VIFPVBQESA-N -1 0 317.342 -0.440 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)NCCC(=O)[O-])CC12COC2 ZINC000414614570 377520522 /nfs/dbraw/zinc/52/05/22/377520522.db2.gz UDAAEUSAFHUZEI-VIFPVBQESA-N -1 0 300.311 -0.318 20 0 DBADRM CCC[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000271938240 377513265 /nfs/dbraw/zinc/51/32/65/377513265.db2.gz QSCYNOKQECWCGR-FGEFZZPRSA-N -1 0 309.322 -0.533 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-] ZINC000275026336 377533197 /nfs/dbraw/zinc/53/31/97/377533197.db2.gz DYTFDYACSKRZPV-JTQLQIEISA-N -1 0 316.335 -0.447 20 0 DBADRM CCCNC(=O)[C@H]1CN(C(=O)C(=O)[N-]OC)c2ccccc2O1 ZINC000276130007 377548207 /nfs/dbraw/zinc/54/82/07/377548207.db2.gz MPTMVCLWQGITEE-GFCCVEGCSA-N -1 0 321.333 -0.016 20 0 DBADRM CCO[N-]C(=O)C(=O)N1C[C@H](C(=O)NC)Oc2ccccc21 ZINC000276181179 377551690 /nfs/dbraw/zinc/55/16/90/377551690.db2.gz SJUOJRFEULVFRM-LLVKDONJSA-N -1 0 307.306 -0.406 20 0 DBADRM COc1cc(S(=O)(=O)N(CCO)CC(=O)[O-])ccc1F ZINC000276250909 377556350 /nfs/dbraw/zinc/55/63/50/377556350.db2.gz PQUTVMASAXMFON-UHFFFAOYSA-N -1 0 307.299 -0.098 20 0 DBADRM CCNC(=O)C1(CNC(=O)CSc2n[nH]c(=O)[n-]2)CCC1 ZINC000277045014 377585006 /nfs/dbraw/zinc/58/50/06/377585006.db2.gz KTJOHHCITGOORR-UHFFFAOYSA-N -1 0 313.383 -0.387 20 0 DBADRM COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000277241904 377588931 /nfs/dbraw/zinc/58/89/31/377588931.db2.gz KMVTUVXLNGESBY-VIFPVBQESA-N -1 0 318.307 -0.411 20 0 DBADRM COCCCCS(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000277453549 377596056 /nfs/dbraw/zinc/59/60/56/377596056.db2.gz RJCMBFCDDFXTPC-UHFFFAOYSA-N -1 0 306.344 -0.678 20 0 DBADRM CC(C)c1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)[nH]n1 ZINC000279123384 377643572 /nfs/dbraw/zinc/64/35/72/377643572.db2.gz AKCGLFUHSPADMR-UHFFFAOYSA-N -1 0 302.356 -0.271 20 0 DBADRM COC[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)[C@@H]1CCCO1 ZINC000279534081 377658267 /nfs/dbraw/zinc/65/82/67/377658267.db2.gz RQKBMSDRIPKVTL-YUMQZZPRSA-N -1 0 302.356 -0.500 20 0 DBADRM Cc1cc2c(cc1S(=O)(=O)N(CCO)CC(=O)[O-])OCO2 ZINC000280006082 377674699 /nfs/dbraw/zinc/67/46/99/377674699.db2.gz NFHXXISALLBVIO-UHFFFAOYSA-N -1 0 317.319 -0.209 20 0 DBADRM O=c1nc(CCNS(=O)(=O)c2cncc(Cl)c2)[n-]o1 ZINC000340046671 377675895 /nfs/dbraw/zinc/67/58/95/377675895.db2.gz WLVHSYQVJUDHAD-UHFFFAOYSA-N -1 0 304.715 -0.068 20 0 DBADRM O=C(CNC(=O)NC1CCCCC1)NCCc1nc(=O)o[n-]1 ZINC000280156760 377678368 /nfs/dbraw/zinc/67/83/68/377678368.db2.gz RGIIHKGPWUPELB-UHFFFAOYSA-N -1 0 311.342 -0.347 20 0 DBADRM C[C@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000280107933 377678587 /nfs/dbraw/zinc/67/85/87/377678587.db2.gz YLEJAFJLXLTKBS-SSDOTTSWSA-N -1 0 322.364 -0.516 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccnc(N2CCCC2)n1 ZINC000280148089 377679216 /nfs/dbraw/zinc/67/92/16/377679216.db2.gz QSGQVPRPOMFTKO-UHFFFAOYSA-N -1 0 304.310 -0.274 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)o1 ZINC000281188803 377723010 /nfs/dbraw/zinc/72/30/10/377723010.db2.gz OEEFPDNYAWMQTM-UHFFFAOYSA-N -1 0 317.279 -0.737 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC000281294759 377729464 /nfs/dbraw/zinc/72/94/64/377729464.db2.gz SUDNZXKORWZTIB-DOMZBBRYSA-N -1 0 310.350 -0.008 20 0 DBADRM Cc1cc(NC(=O)CN2[C@@H](C)C(=O)N(C)S2(=O)=O)n(C)n1 ZINC000283107881 377810616 /nfs/dbraw/zinc/81/06/16/377810616.db2.gz RSXXXLKEWRZFHR-QMMMGPOBSA-N -1 0 315.355 -0.926 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)S(=O)(=O)c1ncc[n-]1 ZINC000283232112 377817899 /nfs/dbraw/zinc/81/78/99/377817899.db2.gz CGLMRQBWABIZML-IUCAKERBSA-N -1 0 314.367 -0.704 20 0 DBADRM COCCn1cc(S(=O)(=O)NC2(C(=O)[O-])CCC2)cn1 ZINC000282630414 377786879 /nfs/dbraw/zinc/78/68/79/377786879.db2.gz CCLPSSRYINBUMN-UHFFFAOYSA-N -1 0 303.340 -0.185 20 0 DBADRM COc1cncc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000290077617 377897808 /nfs/dbraw/zinc/89/78/08/377897808.db2.gz GPKKDSQOWKLWND-UHFFFAOYSA-N -1 0 300.296 -0.713 20 0 DBADRM Cc1ccc(CS(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1 ZINC000289922418 377892472 /nfs/dbraw/zinc/89/24/72/377892472.db2.gz YWYOLLPQVLLHRL-JTQLQIEISA-N -1 0 300.336 -0.257 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000290207677 377899285 /nfs/dbraw/zinc/89/92/85/377899285.db2.gz QDSAPAUMBVQTKL-JTQLQIEISA-N -1 0 316.321 -0.047 20 0 DBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])cn1 ZINC000290987527 377919442 /nfs/dbraw/zinc/91/94/42/377919442.db2.gz RDQBCHNFHXSXFT-QMMMGPOBSA-N -1 0 320.348 -0.667 20 0 DBADRM CC(=O)N1CC(C(=O)Nc2cc3c(cc2O)n(C)c(=O)n3C)C1 ZINC000291616886 377931153 /nfs/dbraw/zinc/93/11/53/377931153.db2.gz SXBUUFQVORVUMW-UHFFFAOYSA-N -1 0 318.333 -0.001 20 0 DBADRM Cc1c(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])cnn1C ZINC000291880107 377938629 /nfs/dbraw/zinc/93/86/29/377938629.db2.gz MWAOZWZDFSTGAE-LLVKDONJSA-N -1 0 305.356 -0.520 20 0 DBADRM CC[C@H](O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000291999293 377941544 /nfs/dbraw/zinc/94/15/44/377941544.db2.gz LGKFUCKDXBHIOG-LURJTMIESA-N -1 0 314.323 -0.515 20 0 DBADRM CC(C)C[C@@H]1C(=O)NCCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000293932240 377980347 /nfs/dbraw/zinc/98/03/47/377980347.db2.gz OFOLLBJVFZWHCV-LLVKDONJSA-N -1 0 322.365 -0.137 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N(C)CCCC(=O)[O-])cn1 ZINC000340453358 377985921 /nfs/dbraw/zinc/98/59/21/377985921.db2.gz YTDXVWMOSGSSRI-UHFFFAOYSA-N -1 0 319.339 -0.459 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCCn2nnnc21 ZINC000294171391 377986032 /nfs/dbraw/zinc/98/60/32/377986032.db2.gz WMMKXRKRVUWGDK-UHFFFAOYSA-N -1 0 306.248 -0.133 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CC[S@](=O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000531887162 378056236 /nfs/dbraw/zinc/05/62/36/378056236.db2.gz CIRRVWIJNRUFIK-QNLYAUKNSA-N -1 0 322.346 -0.005 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CC[S@](=O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000531887163 378056247 /nfs/dbraw/zinc/05/62/47/378056247.db2.gz CIRRVWIJNRUFIK-YNSPTIENSA-N -1 0 322.346 -0.005 20 0 DBADRM O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1nc(=O)[nH][n-]1 ZINC000112402823 378163871 /nfs/dbraw/zinc/16/38/71/378163871.db2.gz FJHPRPKVHFVVAQ-MRVPVSSYSA-N -1 0 305.269 -0.228 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000328705927 378181399 /nfs/dbraw/zinc/18/13/99/378181399.db2.gz YWGGWQRCAOQDDK-MRVPVSSYSA-N -1 0 312.351 -0.191 20 0 DBADRM CC[C@@H](O)CN1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000330713589 378256916 /nfs/dbraw/zinc/25/69/16/378256916.db2.gz RKRQNJCKSCSKQX-SECBINFHSA-N -1 0 315.399 -0.483 20 0 DBADRM O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000367044073 378398553 /nfs/dbraw/zinc/39/85/53/378398553.db2.gz DGWMBAOIJCVQFG-QWRGUYRKSA-N -1 0 322.365 -0.412 20 0 DBADRM O=C([O-])CSCCNS(=O)(=O)c1cnn2c1OCCC2 ZINC000583562192 378416383 /nfs/dbraw/zinc/41/63/83/378416383.db2.gz FHRAIKFTXDGDMB-UHFFFAOYSA-N -1 0 321.380 -0.238 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000399106406 378408709 /nfs/dbraw/zinc/40/87/09/378408709.db2.gz WBNZHXJMBKUWHG-ZJUUUORDSA-N -1 0 309.322 -0.884 20 0 DBADRM COC(=O)C[C@H](N)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000583563086 378416827 /nfs/dbraw/zinc/41/68/27/378416827.db2.gz BSWVOBGYJTZWLD-VIFPVBQESA-N -1 0 306.282 -0.803 20 0 DBADRM CCN(CCCNC(=O)NC1(C(=O)[O-])CC1)S(C)(=O)=O ZINC000583583469 378422720 /nfs/dbraw/zinc/42/27/20/378422720.db2.gz JQFZDBGMQOFFCS-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM Cn1nc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)[n-]c1=O ZINC000329269266 378471460 /nfs/dbraw/zinc/47/14/60/378471460.db2.gz GWBUYAAUOXEMNU-LLVKDONJSA-N -1 0 309.370 -0.678 20 0 DBADRM CC1(C)CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCS1(=O)=O ZINC000330120541 378524608 /nfs/dbraw/zinc/52/46/08/378524608.db2.gz JAWDRHWDOITVSB-UHFFFAOYSA-N -1 0 320.396 -0.362 20 0 DBADRM CN1C[C@H](C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CC1=O ZINC000329342981 378477160 /nfs/dbraw/zinc/47/71/60/378477160.db2.gz PVQVRBVRFQCLIO-MRVPVSSYSA-N -1 0 302.294 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)CCN1S(C)(=O)=O ZINC000618674715 378483336 /nfs/dbraw/zinc/48/33/36/378483336.db2.gz UFPUVJMHBCUTEB-MRVPVSSYSA-N -1 0 302.356 -0.768 20 0 DBADRM COC(=O)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]1)Cc1ccc(O)cc1 ZINC000609599496 378494329 /nfs/dbraw/zinc/49/43/29/378494329.db2.gz XIAVKJLANVJVNF-SECBINFHSA-N -1 0 320.305 -0.022 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC/C=C\CO ZINC000617693509 378552360 /nfs/dbraw/zinc/55/23/60/378552360.db2.gz GVKPFTGFQMAFFR-UPHRSURJSA-N -1 0 320.317 -0.092 20 0 DBADRM C[C@H]1CCCCN1C(=O)CN1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000333612500 378560596 /nfs/dbraw/zinc/56/05/96/378560596.db2.gz SEXFSJILSARWAD-VHSXEESVSA-N -1 0 323.353 -0.347 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000532677496 378585347 /nfs/dbraw/zinc/58/53/47/378585347.db2.gz SESUESWNWAYTRA-QMMMGPOBSA-N -1 0 315.351 -0.188 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000367135423 378578573 /nfs/dbraw/zinc/57/85/73/378578573.db2.gz LHTCUKQEBSAADH-GFCCVEGCSA-N -1 0 314.319 -0.693 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000532793222 378587089 /nfs/dbraw/zinc/58/70/89/378587089.db2.gz WQGYTCWYPQDQRD-MRVPVSSYSA-N -1 0 316.387 -0.767 20 0 DBADRM O=c1[n-]c(CNc2ccc(S(=O)(=O)N3CCCC3)cn2)n[nH]1 ZINC000301766962 378604451 /nfs/dbraw/zinc/60/44/51/378604451.db2.gz IIGRKDQHFNWTRQ-UHFFFAOYSA-N -1 0 324.366 -0.110 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCCNC2=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000353779477 378683647 /nfs/dbraw/zinc/68/36/47/378683647.db2.gz JZQUIXIVUBAXCB-ZETCQYMHSA-N -1 0 317.305 -0.247 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccc2c(c1)C(=O)NC2=O ZINC000353767674 378684088 /nfs/dbraw/zinc/68/40/88/378684088.db2.gz MFYJWQXAQKYPFS-UHFFFAOYSA-N -1 0 302.250 -0.284 20 0 DBADRM COCc1n[n-]c(S(=O)(=O)CC(=O)N2CCC(C)CC2)n1 ZINC000353907221 378693208 /nfs/dbraw/zinc/69/32/08/378693208.db2.gz WASIAOMGZHPKJI-UHFFFAOYSA-N -1 0 316.383 -0.017 20 0 DBADRM Cc1noc(NC(=O)CSc2nnnn2CC[NH+](C)C)n1 ZINC000353226498 378647986 /nfs/dbraw/zinc/64/79/86/378647986.db2.gz CXDLANXZLVTMNO-UHFFFAOYSA-N -1 0 312.359 -0.921 20 0 DBADRM COC(=O)c1cn(CC(=O)NC2(c3nnn[n-]3)CCCC2)nn1 ZINC000354452083 378731179 /nfs/dbraw/zinc/73/11/79/378731179.db2.gz BTUQXZBOISEJCD-UHFFFAOYSA-N -1 0 320.313 -0.837 20 0 DBADRM O=C([C@H]1CCCc2nccn21)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000354921542 378773484 /nfs/dbraw/zinc/77/34/84/378773484.db2.gz OWTGKGOJIVHDKF-NXEZZACHSA-N -1 0 303.322 -0.477 20 0 DBADRM CC(C)[C@@H](NC(=O)C(=O)[O-])C(=O)N(C)Cc1nnc2n1CCC2 ZINC000354989400 378773696 /nfs/dbraw/zinc/77/36/96/378773696.db2.gz YSUZDIQKISZLNU-LLVKDONJSA-N -1 0 323.353 -0.592 20 0 DBADRM CN1CN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CC1=O ZINC000355456201 378816521 /nfs/dbraw/zinc/81/65/21/378816521.db2.gz MWCXMXNGBNBVIO-UHFFFAOYSA-N -1 0 302.283 -0.056 20 0 DBADRM CCNC(=O)CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000355492152 378818745 /nfs/dbraw/zinc/81/87/45/378818745.db2.gz KNDQHKLARGHLRH-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM COCc1nc(=NC(=O)[C@@H]2CC[C@@H](C(=O)OC)O2)s[n-]1 ZINC000355567601 378823581 /nfs/dbraw/zinc/82/35/81/378823581.db2.gz AGSDKFHGQJTGOY-BQBZGAKWSA-N -1 0 301.324 -0.235 20 0 DBADRM COc1ncc(NC(=O)c2cnc([O-])n(C)c2=O)cc1C(N)=O ZINC000355578592 378824788 /nfs/dbraw/zinc/82/47/88/378824788.db2.gz CSRCXEHBYUUSIF-UHFFFAOYSA-N -1 0 319.277 -0.759 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)C1(N2CCOCC2)CCC1 ZINC000355865985 378842114 /nfs/dbraw/zinc/84/21/14/378842114.db2.gz YSEBHBHGNQPARG-UHFFFAOYSA-N -1 0 309.370 -0.186 20 0 DBADRM CN1CCc2ccc(NC(=O)C(=O)NCc3n[nH]c(=O)[n-]3)cc21 ZINC000355992888 378848647 /nfs/dbraw/zinc/84/86/47/378848647.db2.gz FYPKNGGWLNQDHL-UHFFFAOYSA-N -1 0 316.321 -0.243 20 0 DBADRM Nc1c([N-]S(=O)(=O)c2cn[nH]c2)cccc1S(N)(=O)=O ZINC000355820280 378838957 /nfs/dbraw/zinc/83/89/57/378838957.db2.gz QQLSOVOTIYFIBK-UHFFFAOYSA-N -1 0 317.352 -0.560 20 0 DBADRM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1F ZINC000357205103 378928896 /nfs/dbraw/zinc/92/88/96/378928896.db2.gz UPMTTWNIAWPPMG-UHFFFAOYSA-N -1 0 320.327 -0.003 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)CC1 ZINC000367249701 378910035 /nfs/dbraw/zinc/91/00/35/378910035.db2.gz ANDJYGIOSAAUIV-GFCCVEGCSA-N -1 0 321.351 -0.507 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)c1cnc2c(c1)NC(=O)CO2 ZINC000357044881 378914403 /nfs/dbraw/zinc/91/44/03/378914403.db2.gz IXTDOXISGQGZJD-UHFFFAOYSA-N -1 0 301.266 -0.655 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)NC1(c2nnn[n-]2)CC1 ZINC000357075751 378918870 /nfs/dbraw/zinc/91/88/70/378918870.db2.gz QCCNMKZMUMGOHH-UHFFFAOYSA-N -1 0 304.310 -0.429 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)COc1ccccc1 ZINC000643431036 378976761 /nfs/dbraw/zinc/97/67/61/378976761.db2.gz SXWHSNQOHIGCPC-NSHDSACASA-N -1 0 313.331 -0.224 20 0 DBADRM CC(=O)NCCN(C(=O)COC[C@@H]1CCOC1)[C@H](C)C(=O)[O-] ZINC000357767869 378969247 /nfs/dbraw/zinc/96/92/47/378969247.db2.gz YSZFGIJPVSKNBM-ZYHUDNBSSA-N -1 0 316.354 -0.523 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)CN1CCCS1(=O)=O)C2 ZINC000366935715 304215178 /nfs/dbraw/zinc/21/51/78/304215178.db2.gz JVDJJDALILUTGG-GWCFXTLKSA-N -1 0 316.379 -0.265 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000364410547 291713450 /nfs/dbraw/zinc/71/34/50/291713450.db2.gz IMPCTRPWIOBHMJ-RKDXNWHRSA-N -1 0 309.340 -0.699 20 0 DBADRM C[C@@H](CN(C)C(=O)C(C)(C)NS(C)(=O)=O)c1nnn[n-]1 ZINC000358382009 379035474 /nfs/dbraw/zinc/03/54/74/379035474.db2.gz HYZSAVHVEYQPOH-ZETCQYMHSA-N -1 0 304.376 -0.911 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)CCn2ccnn2)C1=O ZINC000358461987 379038906 /nfs/dbraw/zinc/03/89/06/379038906.db2.gz GZINXDCCYVRXAA-JQWIXIFHSA-N -1 0 323.353 -0.506 20 0 DBADRM CC(C)(C(=O)N1CCO[C@H](c2nnn[n-]2)C1)N1CCOCC1 ZINC000367310697 379029310 /nfs/dbraw/zinc/02/93/10/379029310.db2.gz AOVYBYDEOGVSBF-JTQLQIEISA-N -1 0 310.358 -0.790 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)CCn2cncn2)C1=O ZINC000358692042 379074884 /nfs/dbraw/zinc/07/48/84/379074884.db2.gz OHHGUDMCHJUXKX-ZYHUDNBSSA-N -1 0 323.353 -0.506 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)[N-][C@]1(C(=O)OC)CCOC1 ZINC000340873951 291717246 /nfs/dbraw/zinc/71/72/46/291717246.db2.gz CPZMYQAXUMRHEM-LDYMZIIASA-N -1 0 309.340 -0.953 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)NCc1n[nH]c(=O)[n-]1)c2=O ZINC000358954729 379110352 /nfs/dbraw/zinc/11/03/52/379110352.db2.gz PVIKQYDXUBDBBS-UHFFFAOYSA-N -1 0 300.278 -0.243 20 0 DBADRM CCCCCNC(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000643435130 379112825 /nfs/dbraw/zinc/11/28/25/379112825.db2.gz NIPDZJWMKTZSPM-JTQLQIEISA-N -1 0 306.384 -0.524 20 0 DBADRM CCCCCNC(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000643435131 379114620 /nfs/dbraw/zinc/11/46/20/379114620.db2.gz NIPDZJWMKTZSPM-SNVBAGLBSA-N -1 0 306.384 -0.524 20 0 DBADRM Cn1c2ccccc2n(CCC(=O)NCc2n[nH]c(=O)[n-]2)c1=O ZINC000359278426 379143472 /nfs/dbraw/zinc/14/34/72/379143472.db2.gz RWKPZBAFKOPZSM-UHFFFAOYSA-N -1 0 316.321 -0.130 20 0 DBADRM Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)nn1 ZINC000359475067 379167902 /nfs/dbraw/zinc/16/79/02/379167902.db2.gz SWOYMWXWZCXNHC-UHFFFAOYSA-N -1 0 307.291 -0.501 20 0 DBADRM CC(C)(NC(=O)CN1C(=O)COc2ccccc21)c1nnn[n-]1 ZINC000359795987 379199756 /nfs/dbraw/zinc/19/97/56/379199756.db2.gz WTUWGACAMXTSSW-UHFFFAOYSA-N -1 0 316.321 -0.023 20 0 DBADRM CC(C)(NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1nnn[n-]1 ZINC000359794038 379200011 /nfs/dbraw/zinc/20/00/11/379200011.db2.gz LEYBLOHWFLUWJY-RKDXNWHRSA-N -1 0 320.353 -0.274 20 0 DBADRM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2cn[nH]n2)c1 ZINC000360696538 379290553 /nfs/dbraw/zinc/29/05/53/379290553.db2.gz TXVIXYAIWTTYOT-UHFFFAOYSA-N -1 0 309.351 -0.015 20 0 DBADRM C[C@@H](O)CN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000360405516 379263034 /nfs/dbraw/zinc/26/30/34/379263034.db2.gz AMSMQKNQLPXMFV-ZCFIWIBFSA-N -1 0 314.323 -0.563 20 0 DBADRM Cc1nc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)no1 ZINC000360782781 379300130 /nfs/dbraw/zinc/30/01/30/379300130.db2.gz PXAHKTGEZDJYDU-UHFFFAOYSA-N -1 0 318.336 -0.023 20 0 DBADRM Cc1cc(C)n2nc(CC(=O)N3CCOC[C@H]3C(=O)[O-])nc2n1 ZINC000362697258 379462103 /nfs/dbraw/zinc/46/21/03/379462103.db2.gz ADERVYQBKIONDS-JTQLQIEISA-N -1 0 319.321 -0.404 20 0 DBADRM O=C([O-])C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000368411735 379538245 /nfs/dbraw/zinc/53/82/45/379538245.db2.gz NUSJCJMDJSAXHW-SNVBAGLBSA-N -1 0 304.368 -0.076 20 0 DBADRM CN1C(=O)C[C@H](C(=O)NCc2nnn[n-]2)[C@H]1c1cccnc1 ZINC000626464938 379603387 /nfs/dbraw/zinc/60/33/87/379603387.db2.gz JJLAEPWBFIUOFO-JOYOIKCWSA-N -1 0 301.310 -0.570 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)[N-]CC(F)(F)F ZINC000369617205 379593294 /nfs/dbraw/zinc/59/32/94/379593294.db2.gz MKVJOZAWPLPOKJ-PRJMDXOYSA-N -1 0 315.317 -0.031 20 0 DBADRM O=C([C@@H](O)Cc1ccccc1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000369128156 379568823 /nfs/dbraw/zinc/56/88/23/379568823.db2.gz QZVRZHSWUFFPLA-NWDGAFQWSA-N -1 0 303.322 -0.297 20 0 DBADRM O=c1n(CC2=Nc3ccccc3S(=O)(=O)[N-]2)nnn1C1CC1 ZINC000582329543 379631818 /nfs/dbraw/zinc/63/18/18/379631818.db2.gz WPGSZZYWZFTUNX-UHFFFAOYSA-N -1 0 320.334 -0.203 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)NCCNS(=O)(=O)CC)C(=O)[O-] ZINC000390194917 379635693 /nfs/dbraw/zinc/63/56/93/379635693.db2.gz UHNUGBONLSDMJH-DTWKUNHWSA-N -1 0 309.388 -0.276 20 0 DBADRM CC[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643452861 379640270 /nfs/dbraw/zinc/64/02/70/379640270.db2.gz LWJLATYIWSBGAH-AXFHLTTASA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@@H]1SCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@H]1C ZINC000643460342 379700824 /nfs/dbraw/zinc/70/08/24/379700824.db2.gz RJUGSWWPONMYIC-LPEHRKFASA-N -1 0 316.379 -0.349 20 0 DBADRM C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643460343 379700865 /nfs/dbraw/zinc/70/08/65/379700865.db2.gz RJUGSWWPONMYIC-UTLUCORTSA-N -1 0 316.379 -0.349 20 0 DBADRM CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643457009 379686415 /nfs/dbraw/zinc/68/64/15/379686415.db2.gz CFGJLYGKKDXSOU-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000643457369 379688683 /nfs/dbraw/zinc/68/86/83/379688683.db2.gz PWPCSYQBBPTMIA-GMTAPVOTSA-N -1 0 314.338 -0.676 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](C)C2)C1 ZINC000633062463 379688788 /nfs/dbraw/zinc/68/87/88/379688788.db2.gz AMZGIBWOPNPNKY-YGRLFVJLSA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2Cc3ccccc3C2)CCO1 ZINC000643458877 379694301 /nfs/dbraw/zinc/69/43/01/379694301.db2.gz OLCBSEAZCCOJRB-LBPRGKRZSA-N -1 0 304.302 -0.159 20 0 DBADRM CCCCN(CCOC)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643459022 379694837 /nfs/dbraw/zinc/69/48/37/379694837.db2.gz ICKOAFOWBOQETE-NSHDSACASA-N -1 0 316.354 -0.427 20 0 DBADRM O=C(NCC1(CCO)CCC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000122145909 379661459 /nfs/dbraw/zinc/66/14/59/379661459.db2.gz JGNJANUGSNGTFK-UHFFFAOYSA-N -1 0 318.333 -0.106 20 0 DBADRM CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC000643460490 379703622 /nfs/dbraw/zinc/70/36/22/379703622.db2.gz RAZCLZWUUWWJGF-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM CC[C@@]1(CO)CCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643460794 379706665 /nfs/dbraw/zinc/70/66/65/379706665.db2.gz CJVNPAAJJCIUIN-HZMBPMFUSA-N -1 0 314.338 -0.938 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H](O)C(F)F ZINC000231518555 379779105 /nfs/dbraw/zinc/77/91/05/379779105.db2.gz HAHXZGNDNBWRDU-BYPYZUCNSA-N -1 0 316.307 -0.166 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC(C3CCCC3)C2)CCO1 ZINC000643464814 379809196 /nfs/dbraw/zinc/80/91/96/379809196.db2.gz WVHWQFVPGRVHRN-LBPRGKRZSA-N -1 0 310.350 -0.053 20 0 DBADRM CS(=O)(=O)CCCNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000038047224 379829411 /nfs/dbraw/zinc/82/94/11/379829411.db2.gz UEJRIYSUZONZME-UHFFFAOYSA-N -1 0 311.337 -0.309 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000230104734 379868204 /nfs/dbraw/zinc/86/82/04/379868204.db2.gz QSTSVCZMQFRBFF-SECBINFHSA-N -1 0 304.280 -0.027 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])c1 ZINC000230102884 379868295 /nfs/dbraw/zinc/86/82/95/379868295.db2.gz SHAUNAOCNZNWMJ-JTQLQIEISA-N -1 0 317.319 -0.149 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2ccnn2C)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC000584720914 379838857 /nfs/dbraw/zinc/83/88/57/379838857.db2.gz NFKDKAPXBPFKTM-MRTMQBJTSA-N -1 0 303.340 -0.329 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)NCCOCC(=O)[O-] ZINC000584755474 379840987 /nfs/dbraw/zinc/84/09/87/379840987.db2.gz MHLCALPEAFDUAI-UHFFFAOYSA-N -1 0 309.731 -0.303 20 0 DBADRM COCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000584758244 379842177 /nfs/dbraw/zinc/84/21/77/379842177.db2.gz QNQRNAVHBJYEMN-JQWIXIFHSA-N -1 0 307.368 -0.224 20 0 DBADRM CCn1nccc1S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000584778125 379844171 /nfs/dbraw/zinc/84/41/71/379844171.db2.gz NHYWBINEWHTWIW-VIFPVBQESA-N -1 0 303.340 -0.233 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000584781091 379844431 /nfs/dbraw/zinc/84/44/31/379844431.db2.gz CWPABXAULYAYCK-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)O)C[C@@H]1C(=O)[O-] ZINC000584782688 379844508 /nfs/dbraw/zinc/84/45/08/379844508.db2.gz UCJZNFCPNUXYAC-UWVGGRQHSA-N -1 0 300.355 -0.215 20 0 DBADRM Cn1cc(S(=O)(=O)NCCCCC(N)=O)cc1C(=O)[O-] ZINC000230954221 379869656 /nfs/dbraw/zinc/86/96/56/379869656.db2.gz FSAHGQHRYAFLBZ-UHFFFAOYSA-N -1 0 303.340 -0.343 20 0 DBADRM COC[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000227828674 379866204 /nfs/dbraw/zinc/86/62/04/379866204.db2.gz SQKONKMSBBSJML-GHMZBOCLSA-N -1 0 306.384 -0.004 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1c(Cl)cnn1C)C(=O)[O-] ZINC000227865047 379866385 /nfs/dbraw/zinc/86/63/85/379866385.db2.gz NWXKZZAKANOFRF-SSDOTTSWSA-N -1 0 311.747 -0.159 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)C1 ZINC000643466449 379821043 /nfs/dbraw/zinc/82/10/43/379821043.db2.gz KYHYJPHVXKEZIO-IJLUTSLNSA-N -1 0 322.361 -0.053 20 0 DBADRM COC[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643466454 379821837 /nfs/dbraw/zinc/82/18/37/379821837.db2.gz MEMPWBRDGNIXSF-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])C[C@H](C)O1 ZINC000036983491 379823332 /nfs/dbraw/zinc/82/33/32/379823332.db2.gz PUNHSKHEOTXROG-HRDYMLBCSA-N -1 0 310.397 -0.200 20 0 DBADRM C[C@H]1CCCCN1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000230094977 379867847 /nfs/dbraw/zinc/86/78/47/379867847.db2.gz AEXMQXAHAMEUCZ-DTWKUNHWSA-N -1 0 307.372 -0.586 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1 ZINC000134278453 379916672 /nfs/dbraw/zinc/91/66/72/379916672.db2.gz XGMABKGLOUCSLD-UHFFFAOYSA-N -1 0 316.364 -0.132 20 0 DBADRM CN(CCN=c1nn[n-]n1C)S(=O)(=O)c1cccs1 ZINC000532934202 379881593 /nfs/dbraw/zinc/88/15/93/379881593.db2.gz SAZHXIQUFIBJHQ-UHFFFAOYSA-N -1 0 302.385 -0.574 20 0 DBADRM Cn1c2ccc(S(=O)(=O)[N-]c3nnc[nH]3)cc2n(C)c1=O ZINC000041091454 379886468 /nfs/dbraw/zinc/88/64/68/379886468.db2.gz YPKLLRFFXOLASB-UHFFFAOYSA-N -1 0 308.323 -0.204 20 0 DBADRM O=C(NCC1CCOCC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000194974873 379929250 /nfs/dbraw/zinc/92/92/50/379929250.db2.gz FVGPYYXUHGOGGR-UHFFFAOYSA-N -1 0 304.306 -0.232 20 0 DBADRM O=C(NC1CN(S(=O)(=O)[N-]CC(F)(F)F)C1)C1CC1 ZINC000195461618 379931732 /nfs/dbraw/zinc/93/17/32/379931732.db2.gz UEOJZQWSTZZPJH-UHFFFAOYSA-N -1 0 301.290 -0.407 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)N[C@@H]2CCOC[C@H]2O)s[n-]1 ZINC000626566547 379938855 /nfs/dbraw/zinc/93/88/55/379938855.db2.gz CDZFODODGLLVJL-BWZBUEFSSA-N -1 0 302.356 -0.061 20 0 DBADRM CCOC(=O)CC[C@H](C)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000420560808 380064545 /nfs/dbraw/zinc/06/45/45/380064545.db2.gz FQGJNQMDSYVZIK-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000420532108 380064680 /nfs/dbraw/zinc/06/46/80/380064680.db2.gz HLWWNOGDRXKDDO-QMTHXVAHSA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000420532105 380065354 /nfs/dbraw/zinc/06/53/54/380065354.db2.gz HLWWNOGDRXKDDO-HZMBPMFUSA-N -1 0 308.338 -0.289 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)C(=O)NCCOC(F)(F)F ZINC000420541872 380065468 /nfs/dbraw/zinc/06/54/68/380065468.db2.gz AJVUMTDYZWVQDK-UHFFFAOYSA-N -1 0 300.233 -0.038 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000420546132 380066284 /nfs/dbraw/zinc/06/62/84/380066284.db2.gz BDSWMNCZBHVKRJ-ZJUUUORDSA-N -1 0 311.338 -0.763 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C1 ZINC000420545568 380066462 /nfs/dbraw/zinc/06/64/62/380066462.db2.gz AAKPKBWXBZMKTB-AXFHLTTASA-N -1 0 323.349 -0.811 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000420552415 380066560 /nfs/dbraw/zinc/06/65/60/380066560.db2.gz GDRDMCDDTIDPPA-SECBINFHSA-N -1 0 313.354 -0.565 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)NCCOCC(F)F)C1 ZINC000420578787 380066699 /nfs/dbraw/zinc/06/66/99/380066699.db2.gz HZOPFNHHHGGHDW-QMMMGPOBSA-N -1 0 308.281 -0.293 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000420558253 380066728 /nfs/dbraw/zinc/06/67/28/380066728.db2.gz DCERVKSKDPLIBR-ZJUUUORDSA-N -1 0 314.338 -0.377 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1=O ZINC000420550950 380066749 /nfs/dbraw/zinc/06/67/49/380066749.db2.gz RBPZQTLLIULDHX-ZJUUUORDSA-N -1 0 311.338 -0.955 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)NCCOC(F)(F)F)C1 ZINC000420549980 380066998 /nfs/dbraw/zinc/06/69/98/380066998.db2.gz DVEUZAGOFQMFAA-SSDOTTSWSA-N -1 0 312.244 -0.038 20 0 DBADRM CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)NCCCC(=O)[O-] ZINC000420595024 380068488 /nfs/dbraw/zinc/06/84/88/380068488.db2.gz QWCKJVSDKFNHDX-WDEREUQCSA-N -1 0 300.355 -0.023 20 0 DBADRM CC[C@@H](CS(=O)(=O)[N-][C@H](CC(=O)OC)C(=O)OC)OC ZINC000420652362 380073254 /nfs/dbraw/zinc/07/32/54/380073254.db2.gz UXTVNZZNVTZJHP-DTWKUNHWSA-N -1 0 311.356 -0.565 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](CC(C)C)OC)[C@H](C)O ZINC000420686612 380074758 /nfs/dbraw/zinc/07/47/58/380074758.db2.gz HYXWNGBEGUQASO-GARJFASQSA-N -1 0 311.400 -0.111 20 0 DBADRM CO[C@@H]1CCN(C(=O)NCCCn2ccnn2)[C@H](C(=O)[O-])C1 ZINC000571741493 380118192 /nfs/dbraw/zinc/11/81/92/380118192.db2.gz YMWRWQXFZMKYIK-MNOVXSKESA-N -1 0 311.342 -0.058 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)c1 ZINC000571882359 380122068 /nfs/dbraw/zinc/12/20/68/380122068.db2.gz XNWBZEQGRSGYBA-KOLCDFICSA-N -1 0 308.290 -0.865 20 0 DBADRM CCCc1nc(=NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)s[n-]1 ZINC000571961788 380125871 /nfs/dbraw/zinc/12/58/71/380125871.db2.gz NAVNIBPTQXSSBL-SSDOTTSWSA-N -1 0 324.366 -0.320 20 0 DBADRM Cc1noc(COCC(=O)N[C@]2(C(=O)[O-])CCSC2)n1 ZINC000262225064 380176578 /nfs/dbraw/zinc/17/65/78/380176578.db2.gz ULTIGTFXDKOUKM-LLVKDONJSA-N -1 0 301.324 -0.029 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC000262287876 380181279 /nfs/dbraw/zinc/18/12/79/380181279.db2.gz KPNCIMIRMMMQON-VHSXEESVSA-N -1 0 320.367 -0.888 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000262346018 380185482 /nfs/dbraw/zinc/18/54/82/380185482.db2.gz AGLGVIGMSIKHNS-LLVKDONJSA-N -1 0 308.356 -0.477 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)C(=O)[O-] ZINC000262425904 380187137 /nfs/dbraw/zinc/18/71/37/380187137.db2.gz NTGKWACBORGZPL-SSDOTTSWSA-N -1 0 303.340 -0.522 20 0 DBADRM Cn1c2ccccc2n(CC(=O)N2CCOC[C@@H]2C(=O)[O-])c1=O ZINC000262424431 380187373 /nfs/dbraw/zinc/18/73/73/380187373.db2.gz DBPQOKAKBOHPJM-GFCCVEGCSA-N -1 0 319.317 -0.348 20 0 DBADRM C[C@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC000262389264 380189196 /nfs/dbraw/zinc/18/91/96/380189196.db2.gz IFHVRMANGFKLOL-VIFPVBQESA-N -1 0 312.347 -0.097 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)C[C@@H]1CCOC1 ZINC000262455987 380190454 /nfs/dbraw/zinc/19/04/54/380190454.db2.gz ROZUCKFWUROHJH-GXSJLCMTSA-N -1 0 322.383 -0.736 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)CCN2CCCS2(=O)=O)C1 ZINC000262738650 380200420 /nfs/dbraw/zinc/20/04/20/380200420.db2.gz VWBOMELRKQGVCO-ZJUUUORDSA-N -1 0 304.368 -0.219 20 0 DBADRM COC[C@](C)(O)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000611685384 380201773 /nfs/dbraw/zinc/20/17/73/380201773.db2.gz LCMRLSUUDZSEGK-GFCCVEGCSA-N -1 0 318.351 -0.833 20 0 DBADRM COc1ncnc(OC)c1C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262775784 380202604 /nfs/dbraw/zinc/20/26/04/380202604.db2.gz IFUYUXRAPJAQJO-UHFFFAOYSA-N -1 0 322.281 -0.900 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cn1 ZINC000261655987 380150145 /nfs/dbraw/zinc/15/01/45/380150145.db2.gz IKYIRCGXDARIGR-VIFPVBQESA-N -1 0 317.323 -0.706 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])CC1 ZINC000574993356 380257333 /nfs/dbraw/zinc/25/73/33/380257333.db2.gz PSYGEFYSNSIHKV-ZJUUUORDSA-N -1 0 307.368 -0.035 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000263214364 380212084 /nfs/dbraw/zinc/21/20/84/380212084.db2.gz PIEKOYLJRWMQBC-ZJUUUORDSA-N -1 0 306.384 -0.020 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000263227266 380213330 /nfs/dbraw/zinc/21/33/30/380213330.db2.gz AHEFPPWYJSLBFO-SNVBAGLBSA-N -1 0 322.383 -0.640 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-] ZINC000263402602 380216884 /nfs/dbraw/zinc/21/68/84/380216884.db2.gz FOABUWJNPZNFQG-GXSJLCMTSA-N -1 0 310.306 -0.156 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000263473562 380217559 /nfs/dbraw/zinc/21/75/59/380217559.db2.gz IOMIWUBHIJGCFW-YWVKMMECSA-N -1 0 322.383 -0.595 20 0 DBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2c(C)cnn2C)C1 ZINC000572400114 380220050 /nfs/dbraw/zinc/22/00/50/380220050.db2.gz QJHCUOYVGLXOKE-VHSXEESVSA-N -1 0 317.367 -0.019 20 0 DBADRM CO[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000611961427 380242294 /nfs/dbraw/zinc/24/22/94/380242294.db2.gz IEZNXGPZKOOMBH-QMMMGPOBSA-N -1 0 300.336 -0.100 20 0 DBADRM CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000422630824 380294354 /nfs/dbraw/zinc/29/43/54/380294354.db2.gz IWAVNBDOYOBXKF-UHFFFAOYSA-N -1 0 323.280 -0.333 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000422724166 380295699 /nfs/dbraw/zinc/29/56/99/380295699.db2.gz UTJOEQATXYHVGO-GRYCIOLGSA-N -1 0 322.365 -0.043 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000422724168 380296156 /nfs/dbraw/zinc/29/61/56/380296156.db2.gz UTJOEQATXYHVGO-UTUOFQBUSA-N -1 0 322.365 -0.043 20 0 DBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@H](O)C1)C2 ZINC000422805768 380298409 /nfs/dbraw/zinc/29/84/09/380298409.db2.gz HJUWIZDSCFXKDT-ZIBATOQPSA-N -1 0 310.350 -0.317 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@](C)(O)C2)C1 ZINC000422840891 380299564 /nfs/dbraw/zinc/29/95/64/380299564.db2.gz CHVGAWZHBOVSHU-HFAKWTLXSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000422831883 380300116 /nfs/dbraw/zinc/30/01/16/380300116.db2.gz FLBCBECUAJSGPN-GHMZBOCLSA-N -1 0 300.355 -0.071 20 0 DBADRM CN(CC1(CO)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422831093 380300180 /nfs/dbraw/zinc/30/01/80/380300180.db2.gz WGSAMOBCVWCVIN-MEDUHNTESA-N -1 0 324.377 -0.069 20 0 DBADRM COC(=O)C[C@H]1CCCN1C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000422857555 380301845 /nfs/dbraw/zinc/30/18/45/380301845.db2.gz YOVAGKZCKPRQRW-VHSXEESVSA-N -1 0 314.338 -0.280 20 0 DBADRM COC(=O)[C@]1(C)CCCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000422928757 380303182 /nfs/dbraw/zinc/30/31/82/380303182.db2.gz MKTPCCSQOUNHLK-CQSZACIVSA-N -1 0 314.338 -0.279 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC000422886776 380303281 /nfs/dbraw/zinc/30/32/81/380303281.db2.gz XPJUVKUAIUDHNV-YMTOWFKASA-N -1 0 314.338 -0.423 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC000422886774 380303652 /nfs/dbraw/zinc/30/36/52/380303652.db2.gz XPJUVKUAIUDHNV-OTYXRUKQSA-N -1 0 314.338 -0.423 20 0 DBADRM COCCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC000422880048 380303836 /nfs/dbraw/zinc/30/38/36/380303836.db2.gz NBZJLRIIDFSAHW-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])[C@@H]1C ZINC000422927228 380303863 /nfs/dbraw/zinc/30/38/63/380303863.db2.gz YKXYHASFDVFSAJ-RKDXNWHRSA-N -1 0 300.311 -0.671 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](CF)C2)C1 ZINC000422931380 380303871 /nfs/dbraw/zinc/30/38/71/380303871.db2.gz XNSXMTVEEROYET-RNCFNFMXSA-N -1 0 302.302 -0.494 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CF)C2)C1 ZINC000422929291 380303901 /nfs/dbraw/zinc/30/39/01/380303901.db2.gz PDBDHDXGLRVJLY-UWVGGRQHSA-N -1 0 302.302 -0.494 20 0 DBADRM COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000422928756 380303947 /nfs/dbraw/zinc/30/39/47/380303947.db2.gz MKTPCCSQOUNHLK-AWEZNQCLSA-N -1 0 314.338 -0.279 20 0 DBADRM CN(CC(C)(C)CO)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000422925539 380304079 /nfs/dbraw/zinc/30/40/79/380304079.db2.gz AZNHZTLWASVQNT-JTQLQIEISA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[C@@H]2O)C[C@H]1C(=O)[O-] ZINC000422903793 380305659 /nfs/dbraw/zinc/30/56/59/380305659.db2.gz WNVNMLZYAJDCDX-KKOKHZNYSA-N -1 0 312.366 -0.215 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCc1ncn(C)n1)C(=O)[O-] ZINC000424511073 380395863 /nfs/dbraw/zinc/39/58/63/380395863.db2.gz YKBHGNSHJNJBJZ-VIFPVBQESA-N -1 0 311.342 -0.706 20 0 DBADRM C[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C(=O)N(C)C ZINC000424493852 380390407 /nfs/dbraw/zinc/39/04/07/380390407.db2.gz DBGIHEMCIWRZIT-QMMMGPOBSA-N -1 0 301.343 -0.804 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC[C@@H]1C(=O)[O-] ZINC000626757586 380349648 /nfs/dbraw/zinc/34/96/48/380349648.db2.gz XUHXEEZTRALPSS-VPOLOUISSA-N -1 0 313.354 -0.229 20 0 DBADRM CCC[C@H](NC(=O)[C@@H]1CCN=C2C1=NNN2C)c1nnn[n-]1 ZINC000612062315 380358149 /nfs/dbraw/zinc/35/81/49/380358149.db2.gz VFOMGYYRXMXLFG-SFYZADRCSA-N -1 0 305.346 -0.619 20 0 DBADRM CCn1nncc1CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000626772545 380358346 /nfs/dbraw/zinc/35/83/46/380358346.db2.gz DCWYTUKGLQGDSW-NOZJJQNGSA-N -1 0 309.326 -0.459 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000626772960 380359297 /nfs/dbraw/zinc/35/92/97/380359297.db2.gz ZPRSCEJWZLOGSG-UWVGGRQHSA-N -1 0 321.399 -0.322 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000626772962 380359303 /nfs/dbraw/zinc/35/93/03/380359303.db2.gz ZPRSCEJWZLOGSG-ZJUUUORDSA-N -1 0 321.399 -0.322 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000612817972 380445501 /nfs/dbraw/zinc/44/55/01/380445501.db2.gz OMZXAOJQXGSKAT-BDAKNGLRSA-N -1 0 317.357 -0.870 20 0 DBADRM CCC[C@@H](C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)S(N)(=O)=O ZINC000612816414 380447043 /nfs/dbraw/zinc/44/70/43/380447043.db2.gz FPJXMKXFCNMOLA-BDAKNGLRSA-N -1 0 316.387 -0.637 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)n1 ZINC000612814794 380447350 /nfs/dbraw/zinc/44/73/50/380447350.db2.gz DNPWNGGEJSNNIU-SECBINFHSA-N -1 0 319.373 -0.110 20 0 DBADRM C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@H](C)CO ZINC000612500102 380412637 /nfs/dbraw/zinc/41/26/37/380412637.db2.gz GJLYOOOAAZRRRB-HTQZYQBOSA-N -1 0 302.352 -0.214 20 0 DBADRM COC1(C)CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000613158235 380499820 /nfs/dbraw/zinc/49/98/20/380499820.db2.gz DAURPMQHVNOXSZ-UHFFFAOYSA-N -1 0 300.336 -0.100 20 0 DBADRM CN1CCC(=C([O-])Nc2nc(C3(C)CC3)ns2)S1(=O)=O ZINC000628540431 380515739 /nfs/dbraw/zinc/51/57/39/380515739.db2.gz YSRIXUVTOANODS-SSDOTTSWSA-N -1 0 316.408 -0.016 20 0 DBADRM O=C(NC[C@@]1(O)CCOC1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000612989895 380467835 /nfs/dbraw/zinc/46/78/35/380467835.db2.gz MTCRVBFKQVQGHD-AWEZNQCLSA-N -1 0 305.290 -0.089 20 0 DBADRM CN(CC(=O)N1CCC(CCC(=O)[O-])CC1)S(C)(=O)=O ZINC000537479016 380477551 /nfs/dbraw/zinc/47/75/51/380477551.db2.gz DRMBVYQFSFTDNW-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM CCN(CC)CCS(=O)(=O)N[C@H]1CS(=O)(=O)C1(C)C ZINC000632494965 380547915 /nfs/dbraw/zinc/54/79/15/380547915.db2.gz BAPSERDZKPFGGT-JTQLQIEISA-N -1 0 312.457 -0.177 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCOC1)NS(=O)(=O)[C@H]1CCOC1 ZINC000629337670 380630502 /nfs/dbraw/zinc/63/05/02/380630502.db2.gz BPPASJFWUWRURR-VWYCJHECSA-N -1 0 307.368 -0.035 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000629336770 380630920 /nfs/dbraw/zinc/63/09/20/380630920.db2.gz INCSSUFRRRCHOA-UHFFFAOYSA-N -1 0 314.323 -0.403 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000629338749 380631674 /nfs/dbraw/zinc/63/16/74/380631674.db2.gz QGGQFWKDEHMYMX-ZJUUUORDSA-N -1 0 317.367 -0.032 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000629364198 380636075 /nfs/dbraw/zinc/63/60/75/380636075.db2.gz WGDPHNLECOFUCV-NSHDSACASA-N -1 0 304.412 -0.098 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NCCCOCCO)cc1 ZINC000631201252 380592761 /nfs/dbraw/zinc/59/27/61/380592761.db2.gz PSRSPXMXUYJQPO-UHFFFAOYSA-N -1 0 307.354 -0.037 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@H](CO)C(=O)[O-])c1ccc(F)cc1 ZINC000629294329 380621940 /nfs/dbraw/zinc/62/19/40/380621940.db2.gz WYDLLPFAXAVBAV-MNOVXSKESA-N -1 0 321.326 -0.122 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@@H](CO)C(=O)[O-])c1ccc(F)cc1 ZINC000629294331 380622413 /nfs/dbraw/zinc/62/24/13/380622413.db2.gz WYDLLPFAXAVBAV-WDEREUQCSA-N -1 0 321.326 -0.122 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1ccc2c(c1)n(C)c(=O)n2C ZINC000629288064 380622900 /nfs/dbraw/zinc/62/29/00/380622900.db2.gz AMOJDUBKFLYYIV-UHFFFAOYSA-N -1 0 322.350 -0.194 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1ccccc1O[C@@H]1CC(=O)N1 ZINC000629301612 380623608 /nfs/dbraw/zinc/62/36/08/380623608.db2.gz NPUKEOVPTWMKIK-LLVKDONJSA-N -1 0 323.334 -0.159 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CCc2occc2[C@@H]1C(=O)[O-] ZINC000629307843 380623673 /nfs/dbraw/zinc/62/36/73/380623673.db2.gz LDCZVIMCOKYUKT-SNVBAGLBSA-N -1 0 312.307 -0.219 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)CO1 ZINC000629294870 380623713 /nfs/dbraw/zinc/62/37/13/380623713.db2.gz DUYLDLLFMDKPLC-VIFPVBQESA-N -1 0 318.355 -0.650 20 0 DBADRM Cc1ncc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])n1C ZINC000629300902 380624195 /nfs/dbraw/zinc/62/41/95/380624195.db2.gz USVUHVAHVNRORB-NSHDSACASA-N -1 0 305.356 -0.520 20 0 DBADRM Cc1ncc(S(=O)(=O)NCc2ncc(C(=O)[O-])cn2)n1C ZINC000629313824 380625270 /nfs/dbraw/zinc/62/52/70/380625270.db2.gz IGYVWESZQJILCA-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM CO[C@H]1CN(C(=O)N2CCS(=O)(=O)CC2)[C@@](C)(C(=O)[O-])C1 ZINC000629310550 380625325 /nfs/dbraw/zinc/62/53/25/380625325.db2.gz UBRLCBKRZWYOMW-BXKDBHETSA-N -1 0 320.367 -0.599 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)N2CCOCC2)[C@@](C)(C(=O)[O-])C1 ZINC000629307149 380625660 /nfs/dbraw/zinc/62/56/60/380625660.db2.gz BOPNFLKYDIYSIU-GXSJLCMTSA-N -1 0 308.356 -0.873 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2cnnn2C)[C@](C)(C(=O)[O-])C1 ZINC000629308926 380627850 /nfs/dbraw/zinc/62/78/50/380627850.db2.gz YABTYOMCCJVMHU-XCBNKYQSSA-N -1 0 304.328 -0.932 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1COCCN1C1CCCC1 ZINC000640466065 380669131 /nfs/dbraw/zinc/66/91/31/380669131.db2.gz NQRGSPMLNOTHHH-NSHDSACASA-N -1 0 310.354 -0.035 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000195270920 380715845 /nfs/dbraw/zinc/71/58/45/380715845.db2.gz IIJIQGZUXOPZET-BQBZGAKWSA-N -1 0 324.346 -0.110 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000629775021 380717193 /nfs/dbraw/zinc/71/71/93/380717193.db2.gz GOPTVHUFPMMQBE-GARJFASQSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]2(C)CO)CC[C@@H]1C(=O)[O-] ZINC000629775079 380717506 /nfs/dbraw/zinc/71/75/06/380717506.db2.gz GYZBSTMVRMEPSR-ZETOZRRWSA-N -1 0 312.366 -0.071 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000629778327 380718283 /nfs/dbraw/zinc/71/82/83/380718283.db2.gz ZZWPSYGTXSRTCK-MNOVXSKESA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@@H](O)C[C@H]1COCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000195455658 380718391 /nfs/dbraw/zinc/71/83/91/380718391.db2.gz YTKVNSPNYDIKMP-SFYZADRCSA-N -1 0 306.306 -0.145 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)[C@@H]1CO ZINC000629777538 380718467 /nfs/dbraw/zinc/71/84/67/380718467.db2.gz SJVDDDHFBGSVKJ-WHOHXGKFSA-N -1 0 312.366 -0.215 20 0 DBADRM CCOC[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CCO1 ZINC000629782907 380721117 /nfs/dbraw/zinc/72/11/17/380721117.db2.gz LKGFQZOGJFJRNI-MNOVXSKESA-N -1 0 316.354 -0.571 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CC2(O)CCC2)CC[C@@H]1C(=O)[O-] ZINC000629782176 380721383 /nfs/dbraw/zinc/72/13/83/380721383.db2.gz XANSHTWVKSAUKE-QWRGUYRKSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)CC[C@H]1C(=O)[O-] ZINC000629783162 380721475 /nfs/dbraw/zinc/72/14/75/380721475.db2.gz FZGAOWRTNLKWPT-NZEXEKPDSA-N -1 0 324.377 -0.073 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000630008923 380814633 /nfs/dbraw/zinc/81/46/33/380814633.db2.gz FCQANPQHPOWSFN-QMMMGPOBSA-N -1 0 320.309 -0.480 20 0 DBADRM O=S(=O)(c1cc([O-])cc(F)c1)N1CC2(C1)CS(=O)(=O)C2 ZINC000641548027 380942869 /nfs/dbraw/zinc/94/28/69/380942869.db2.gz HUKFTWNKEGEFNF-UHFFFAOYSA-N -1 0 321.351 -0.050 20 0 DBADRM NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)c1 ZINC000222496368 381071044 /nfs/dbraw/zinc/07/10/44/381071044.db2.gz RLICVFNNTAQXHG-VHSXEESVSA-N -1 0 314.319 -0.095 20 0 DBADRM Cc1cc(F)cc(C)c1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000229333595 381094248 /nfs/dbraw/zinc/09/42/48/381094248.db2.gz JKBKVGMVVDITJN-UHFFFAOYSA-N -1 0 318.326 -0.078 20 0 DBADRM NC(=O)COCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000230956345 381103505 /nfs/dbraw/zinc/10/35/05/381103505.db2.gz GVHIQRHCEZMKBK-UHFFFAOYSA-N -1 0 320.298 -0.696 20 0 DBADRM COC[C@H](C[N-]S(=O)(=O)c1scnc1C(=O)OC)OC ZINC000231521546 381103581 /nfs/dbraw/zinc/10/35/81/381103581.db2.gz POJPALYMFFUYNG-ZETCQYMHSA-N -1 0 324.380 -0.131 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C(N)=O)C(C)C ZINC000231514973 381104906 /nfs/dbraw/zinc/10/49/06/381104906.db2.gz RFWFTJGIWXYBLG-LURJTMIESA-N -1 0 321.380 -0.282 20 0 DBADRM CCN(C)C(=O)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613635513 381160194 /nfs/dbraw/zinc/16/01/94/381160194.db2.gz BQIZBUYGMCGKAR-UHFFFAOYSA-N -1 0 315.351 -0.752 20 0 DBADRM C[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])[C@@H]1CO ZINC000613834923 381198667 /nfs/dbraw/zinc/19/86/67/381198667.db2.gz SLQNRMTYYCIGCY-GZMMTYOYSA-N -1 0 314.363 -0.118 20 0 DBADRM NC(=O)[C@@]1(O)CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000613854728 381200492 /nfs/dbraw/zinc/20/04/92/381200492.db2.gz XHGFESVYMZBCJF-CQSZACIVSA-N -1 0 318.289 -0.908 20 0 DBADRM COCCOCCOCCN(C)C(=O)c1cc(=O)n(C)[n-]1 ZINC000613861774 381200736 /nfs/dbraw/zinc/20/07/36/381200736.db2.gz POODTUGXIAZZAD-UHFFFAOYSA-N -1 0 301.343 -0.123 20 0 DBADRM CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(=O)[nH]cn3)CC2)C1=O ZINC000627232775 381209365 /nfs/dbraw/zinc/20/93/65/381209365.db2.gz KMNQXJYRMPFECZ-GFCCVEGCSA-N -1 0 319.365 -0.393 20 0 DBADRM COCC[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000614423969 381254879 /nfs/dbraw/zinc/25/48/79/381254879.db2.gz IYZKOEXYKQSVFL-QMMMGPOBSA-N -1 0 318.351 -0.833 20 0 DBADRM C[C@H](O)CCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000614172665 381233804 /nfs/dbraw/zinc/23/38/04/381233804.db2.gz ZHRYCYOQDQSGLO-QMMMGPOBSA-N -1 0 302.352 -0.070 20 0 DBADRM O=C(N1CCC(c2n[nH]c(=O)[n-]2)CC1)C1(n2cnnn2)CC1 ZINC000614259857 381242103 /nfs/dbraw/zinc/24/21/03/381242103.db2.gz OTDVZUXBFRJSJH-UHFFFAOYSA-N -1 0 304.314 -0.608 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000530142769 381291784 /nfs/dbraw/zinc/29/17/84/381291784.db2.gz KQOCJKGBQKYBLA-UHFFFAOYSA-N -1 0 316.383 -0.112 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000530141503 381292005 /nfs/dbraw/zinc/29/20/05/381292005.db2.gz YBJWDAMCTYQKNV-QWRGUYRKSA-N -1 0 320.411 -0.026 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H](COC)OC)ccc1[O-] ZINC000614568796 381292422 /nfs/dbraw/zinc/29/24/22/381292422.db2.gz JGYFUFWCLIRQPM-SNVBAGLBSA-N -1 0 318.351 -0.100 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000530143215 381292462 /nfs/dbraw/zinc/29/24/62/381292462.db2.gz SWQSVMYAQSRVQF-UHFFFAOYSA-N -1 0 321.399 -0.956 20 0 DBADRM Cc1cc(CNS(=O)(=O)c2c(C(=O)[O-])cnn2C)no1 ZINC000530150340 381293991 /nfs/dbraw/zinc/29/39/91/381293991.db2.gz ROHUATNXWRFASC-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM CCOC[C@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1 ZINC000530149501 381294028 /nfs/dbraw/zinc/29/40/28/381294028.db2.gz CGEZZAYQMLVSGS-MRVPVSSYSA-N -1 0 319.339 -0.466 20 0 DBADRM CCn1nncc1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000530148337 381294032 /nfs/dbraw/zinc/29/40/32/381294032.db2.gz DYUTXHPUHSGECA-VIFPVBQESA-N -1 0 303.344 -0.819 20 0 DBADRM COc1cncc(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c1 ZINC000530148887 381294284 /nfs/dbraw/zinc/29/42/84/381294284.db2.gz BSYCJVKWHRPALZ-KCJUWKMLSA-N -1 0 316.335 -0.047 20 0 DBADRM Cc1noc([C@@H](C)NS(=O)(=O)c2c(C(=O)[O-])cnn2C)n1 ZINC000530148466 381294677 /nfs/dbraw/zinc/29/46/77/381294677.db2.gz FCPRONYKKLYQPM-RXMQYKEDSA-N -1 0 315.311 -0.151 20 0 DBADRM Cn1cc(CCNS(=O)(=O)c2c(C(=O)[O-])cnn2C)cn1 ZINC000530150358 381294757 /nfs/dbraw/zinc/29/47/57/381294757.db2.gz SFGLENNNIHRUEX-UHFFFAOYSA-N -1 0 313.339 -0.627 20 0 DBADRM C[C@H]1C[C@H](NS(=O)(=O)c2c(C(=O)[O-])cnn2C)CCO1 ZINC000530155647 381296066 /nfs/dbraw/zinc/29/60/66/381296066.db2.gz WLFBFUCPMUKZBC-JGVFFNPUSA-N -1 0 303.340 -0.036 20 0 DBADRM CC1(C)OC[C@@H]2C[C@@]21NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000530154106 381296166 /nfs/dbraw/zinc/29/61/66/381296166.db2.gz SAGISVPWQOQZID-QPUJVOFHSA-N -1 0 315.351 -0.187 20 0 DBADRM C[C@@H]1CN(c2ncccc2S(N)(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC000530178586 381296271 /nfs/dbraw/zinc/29/62/71/381296271.db2.gz YUEFEFOJHRUWFD-SFYZADRCSA-N -1 0 301.324 -0.593 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000538223403 381324426 /nfs/dbraw/zinc/32/44/26/381324426.db2.gz LIQYXHDQUWMMCF-VIFPVBQESA-N -1 0 316.387 -0.813 20 0 DBADRM O=C([O-])c1cncc(C(=O)NCCN2CCCS2(=O)=O)c1 ZINC000630114605 381324524 /nfs/dbraw/zinc/32/45/24/381324524.db2.gz RVVAZVYAUOFXCF-UHFFFAOYSA-N -1 0 313.335 -0.455 20 0 DBADRM CC(C)(CNC(=O)c1cncc(C(=O)[O-])c1)NS(C)(=O)=O ZINC000630118772 381324956 /nfs/dbraw/zinc/32/49/56/381324956.db2.gz MFQHMIYMMJWEEL-UHFFFAOYSA-N -1 0 315.351 -0.163 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCCn2cccn2)CC[C@@H]1C(=O)[O-] ZINC000627263211 381333388 /nfs/dbraw/zinc/33/33/88/381333388.db2.gz ZKEGVVYBGFDOOI-RYUDHWBXSA-N -1 0 322.365 -0.041 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000627263610 381342741 /nfs/dbraw/zinc/34/27/41/381342741.db2.gz HNIFDFPBXJYAPB-QJPTWQEYSA-N -1 0 322.365 -0.043 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cc(C)cnc1N)CC(=O)[O-] ZINC000530383245 381310248 /nfs/dbraw/zinc/31/02/48/381310248.db2.gz SOEOIKOCGGNSQU-MRVPVSSYSA-N -1 0 303.340 -0.260 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCC(=O)N(C)C)CC[C@H]1C(=O)[O-] ZINC000627265109 381347255 /nfs/dbraw/zinc/34/72/55/381347255.db2.gz DSOOKNKOQRRJFC-VHSXEESVSA-N -1 0 313.354 -0.850 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC000627265566 381348680 /nfs/dbraw/zinc/34/86/80/381348680.db2.gz KIJSHSTZSIIDAP-SKDRFNHKSA-N -1 0 320.349 -0.030 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)COCC(F)F)C(=O)[O-] ZINC000630169771 381351268 /nfs/dbraw/zinc/35/12/68/381351268.db2.gz GOQQYJPGXVIWBU-QMMMGPOBSA-N -1 0 310.297 0.000 20 0 DBADRM Cn1nccc1COCC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000630164654 381351431 /nfs/dbraw/zinc/35/14/31/381351431.db2.gz YZGHIFXLONCPDK-ZWNOBZJWSA-N -1 0 311.338 -0.067 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1cn(C)cn1 ZINC000630156679 381352092 /nfs/dbraw/zinc/35/20/92/381352092.db2.gz NORYPNCCKLOCTD-SNVBAGLBSA-N -1 0 308.338 -0.185 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC000630204800 381364725 /nfs/dbraw/zinc/36/47/25/381364725.db2.gz SJSYEDJHMJTLRT-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC000630218527 381365144 /nfs/dbraw/zinc/36/51/44/381365144.db2.gz FRTGHXBMEMJXII-GHMZBOCLSA-N -1 0 302.396 -0.017 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN(c3nccnn3)CC2)ccn1 ZINC000630231459 381369052 /nfs/dbraw/zinc/36/90/52/381369052.db2.gz ZZAFCICABONUPX-UHFFFAOYSA-N -1 0 314.305 -0.073 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CCc2occc2[C@@H]1C(=O)[O-] ZINC000630237391 381369392 /nfs/dbraw/zinc/36/93/92/381369392.db2.gz JKDMKNWPEACOEN-LLVKDONJSA-N -1 0 316.335 -0.319 20 0 DBADRM O=C([O-])Cc1ccc(CNC(=O)[C@H]2CCS(=O)(=O)N2)cc1 ZINC000630231977 381369573 /nfs/dbraw/zinc/36/95/73/381369573.db2.gz FNRVIVIIAOQBCY-LLVKDONJSA-N -1 0 312.347 -0.378 20 0 DBADRM CN(C)c1ncc(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cn1 ZINC000540913125 381372809 /nfs/dbraw/zinc/37/28/09/381372809.db2.gz RMVIKEABMJRBMZ-SECBINFHSA-N -1 0 319.325 -0.690 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000630250108 381374459 /nfs/dbraw/zinc/37/44/59/381374459.db2.gz QVDGDSYAZFOORM-BXKDBHETSA-N -1 0 320.367 -0.888 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)cn1 ZINC000630253482 381374680 /nfs/dbraw/zinc/37/46/80/381374680.db2.gz FHUJXEKUQKSERX-AWEZNQCLSA-N -1 0 307.306 -0.243 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-] ZINC000540983726 381375456 /nfs/dbraw/zinc/37/54/56/381375456.db2.gz VHZJLMKONGUJCB-QWRGUYRKSA-N -1 0 318.351 -0.017 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)c2c(C)nn(C)c2C)C1 ZINC000630251231 381375834 /nfs/dbraw/zinc/37/58/34/381375834.db2.gz WZAYXFNYPHHPQS-CQSZACIVSA-N -1 0 309.322 -0.078 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC000630252680 381376526 /nfs/dbraw/zinc/37/65/26/381376526.db2.gz RVWKQROCLVWIQJ-LLVKDONJSA-N -1 0 308.356 -0.984 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC000630258987 381376684 /nfs/dbraw/zinc/37/66/84/381376684.db2.gz KYPKCSIBHPESIE-UTLUCORTSA-N -1 0 320.367 -0.889 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCOC1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC000630268543 381377456 /nfs/dbraw/zinc/37/74/56/381377456.db2.gz APYVVQBOPZOMAY-VWYCJHECSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2ccnn2C)CC[C@@H]1C(=O)[O-] ZINC000627263807 381342893 /nfs/dbraw/zinc/34/28/93/381342893.db2.gz JGEPSZLTVQKKRH-ONGXEEELSA-N -1 0 308.338 -0.395 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC(C)(C)[C@H]1C(=O)[O-] ZINC000630426086 381412371 /nfs/dbraw/zinc/41/23/71/381412371.db2.gz DLOWBTDJDNBWQO-SNVBAGLBSA-N -1 0 324.399 -0.379 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CNC(=O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000543565304 381412608 /nfs/dbraw/zinc/41/26/08/381412608.db2.gz AJEBCQIMVBPKIK-LURJTMIESA-N -1 0 303.278 -0.637 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)c1cccc2n[nH]nc21 ZINC000543749596 381415620 /nfs/dbraw/zinc/41/56/20/381415620.db2.gz ZRJAIFZLOCNMJZ-UHFFFAOYSA-N -1 0 306.278 -0.254 20 0 DBADRM Cc1cc(C)nc(N2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)n1 ZINC000541534257 381381604 /nfs/dbraw/zinc/38/16/04/381381604.db2.gz UBYCVLAMIXNMNK-UHFFFAOYSA-N -1 0 303.326 -0.120 20 0 DBADRM COc1cncc(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])c1 ZINC000541909931 381387684 /nfs/dbraw/zinc/38/76/84/381387684.db2.gz GEVZAPVWYGSERR-SECBINFHSA-N -1 0 318.351 -0.064 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])nn1 ZINC000630313185 381388111 /nfs/dbraw/zinc/38/81/11/381388111.db2.gz FIRDMOUETGSNIH-BDAKNGLRSA-N -1 0 309.326 -0.651 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC000630312462 381388211 /nfs/dbraw/zinc/38/82/11/381388211.db2.gz OUTQZYJKKYNZCY-BXKDBHETSA-N -1 0 307.368 -0.098 20 0 DBADRM CS(=O)(=O)C1(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)CCC1 ZINC000630339164 381389643 /nfs/dbraw/zinc/38/96/43/381389643.db2.gz KGFUBMWPCPKZPW-GFCCVEGCSA-N -1 0 319.379 -0.049 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)c1=O ZINC000630342113 381390165 /nfs/dbraw/zinc/39/01/65/381390165.db2.gz VGCOUYARUKAFNX-ZDUSSCGKSA-N -1 0 311.294 -0.903 20 0 DBADRM Cc1cc(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)oc1C(=O)[O-] ZINC000630330911 381390268 /nfs/dbraw/zinc/39/02/68/381390268.db2.gz OVQUOYFUEPAKKF-VIFPVBQESA-N -1 0 316.335 -0.064 20 0 DBADRM Cc1cc(CNC(=O)[C@H]2CCN(C)S2(=O)=O)oc1C(=O)[O-] ZINC000630330908 381390269 /nfs/dbraw/zinc/39/02/69/381390269.db2.gz OVQUOYFUEPAKKF-SECBINFHSA-N -1 0 316.335 -0.064 20 0 DBADRM COc1cc(N2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)ncn1 ZINC000545189940 381435041 /nfs/dbraw/zinc/43/50/41/381435041.db2.gz FANCDUKRAKRCKJ-UHFFFAOYSA-N -1 0 305.298 -0.729 20 0 DBADRM CNC(=O)C1CN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC000545250553 381437482 /nfs/dbraw/zinc/43/74/82/381437482.db2.gz RTABOSNDPOFSIA-UHFFFAOYSA-N -1 0 302.290 -0.152 20 0 DBADRM Cn1[n-]nnc1=NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000545906289 381446872 /nfs/dbraw/zinc/44/68/72/381446872.db2.gz KDXDYVPCZOMXML-UHFFFAOYSA-N -1 0 308.367 -0.216 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N(CC(=O)[O-])C2CCC2)CC1=O ZINC000630445453 381419894 /nfs/dbraw/zinc/41/98/94/381419894.db2.gz IFQIFHBRCHCVFB-SNVBAGLBSA-N -1 0 304.368 -0.124 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])CC1=O ZINC000630445744 381420038 /nfs/dbraw/zinc/42/00/38/381420038.db2.gz FEVPSEVLGJMVBS-JOYOIKCWSA-N -1 0 304.368 -0.124 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCCF)cc-2c(=O)[n-]1 ZINC000134505231 381480437 /nfs/dbraw/zinc/48/04/37/381480437.db2.gz XIRDTOOIAKEYCG-UHFFFAOYSA-N -1 0 302.287 -0.751 20 0 DBADRM C[C@@](NC(=O)Cn1nc2ccccn2c1=O)(C(=O)[O-])C1CC1 ZINC000237720186 381483005 /nfs/dbraw/zinc/48/30/05/381483005.db2.gz DFNQSFLPTYLRHS-AWEZNQCLSA-N -1 0 304.306 -0.135 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000547553811 381484837 /nfs/dbraw/zinc/48/48/37/381484837.db2.gz GSTYUSJKBWXSKV-VIFPVBQESA-N -1 0 323.367 -0.404 20 0 DBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC000547545793 381484906 /nfs/dbraw/zinc/48/49/06/381484906.db2.gz MFJJGSNGKNJBNX-LPEHRKFASA-N -1 0 323.367 -0.527 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000547928681 381503463 /nfs/dbraw/zinc/50/34/63/381503463.db2.gz PSRLNOIZXXKKFT-APBUJDDRSA-N -1 0 324.424 -0.519 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@H](C)CCC(=O)[O-] ZINC000547935738 381503811 /nfs/dbraw/zinc/50/38/11/381503811.db2.gz AFFSBAOKAMYXGB-SNVBAGLBSA-N -1 0 312.388 -0.331 20 0 DBADRM COCCCCS(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000548214548 381520401 /nfs/dbraw/zinc/52/04/01/381520401.db2.gz YDZMJSVAROPBFZ-JTQLQIEISA-N -1 0 322.383 -0.735 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)CC1(CC(=O)OC)CC1 ZINC000548231380 381518965 /nfs/dbraw/zinc/51/89/65/381518965.db2.gz XBBDRQADHXXFHD-UHFFFAOYSA-N -1 0 323.367 -0.308 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)c1cnc2n1CCC2)[C@@H]1CCOC1 ZINC000548201665 381519255 /nfs/dbraw/zinc/51/92/55/381519255.db2.gz WCUDQPTXFTWTMX-LDYMZIIASA-N -1 0 315.351 -0.403 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000547566319 381486549 /nfs/dbraw/zinc/48/65/49/381486549.db2.gz YBSIUASHWHPGEM-ZJUUUORDSA-N -1 0 320.367 -0.982 20 0 DBADRM CCc1ncc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])s1 ZINC000547582845 381486687 /nfs/dbraw/zinc/48/66/87/381486687.db2.gz MPKMUEFPYDJREI-RQJHMYQMSA-N -1 0 306.365 -0.086 20 0 DBADRM CCN(CC)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000547595945 381487110 /nfs/dbraw/zinc/48/71/10/381487110.db2.gz ATKIKLRUNYNOMP-RKDXNWHRSA-N -1 0 307.372 -0.777 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)n(C)c1)C(=O)[O-] ZINC000547575298 381487137 /nfs/dbraw/zinc/48/71/37/381487137.db2.gz XNBJQPMBAYENGV-MRVPVSSYSA-N -1 0 320.323 -0.810 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)CCC(=O)OCC)C(=O)[O-] ZINC000547608621 381488482 /nfs/dbraw/zinc/48/84/82/381488482.db2.gz HIBJYYVKNHQSDW-PSASIEDQSA-N -1 0 311.356 -0.527 20 0 DBADRM CCC1(CC)CN(C(=O)c2n[nH]c(=O)[n-]2)CCS1(=O)=O ZINC000547679597 381490497 /nfs/dbraw/zinc/49/04/97/381490497.db2.gz GVJMMHDFXXMIGF-UHFFFAOYSA-N -1 0 302.356 -0.060 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-] ZINC000547639830 381490606 /nfs/dbraw/zinc/49/06/06/381490606.db2.gz CQYQZYUMZNPIFI-ZETCQYMHSA-N -1 0 313.282 -0.474 20 0 DBADRM COC(=O)CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547876288 381499034 /nfs/dbraw/zinc/49/90/34/381499034.db2.gz YQZBYDPJHQVFKI-WPRPVWTQSA-N -1 0 309.340 -0.651 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000547868956 381500006 /nfs/dbraw/zinc/50/00/06/381500006.db2.gz BQYDXYNLKQYRQV-UHFFFAOYSA-N -1 0 324.717 -0.042 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCOC1)NS(=O)(=O)C[C@H]1CCOC1 ZINC000547876737 381500664 /nfs/dbraw/zinc/50/06/64/381500664.db2.gz PLEFKZXDFIGQDL-DCAQKATOSA-N -1 0 307.368 -0.178 20 0 DBADRM CCCN(CC1CC1)S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-] ZINC000547876063 381500686 /nfs/dbraw/zinc/50/06/86/381500686.db2.gz JAWCXRFJCAQDFE-JTQLQIEISA-N -1 0 322.383 -0.041 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(Cl)cnc1N)C(=O)[O-] ZINC000547886299 381501340 /nfs/dbraw/zinc/50/13/40/381501340.db2.gz VIUOPJFEMWHRTL-LURJTMIESA-N -1 0 309.731 -0.305 20 0 DBADRM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC000547906618 381502001 /nfs/dbraw/zinc/50/20/01/381502001.db2.gz RSVVBIPVXCARNG-VIFPVBQESA-N -1 0 315.413 -0.064 20 0 DBADRM CCOCCS(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000547881520 381502190 /nfs/dbraw/zinc/50/21/90/381502190.db2.gz HTCAFJPCQNLKMI-SNVBAGLBSA-N -1 0 305.356 -0.399 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-] ZINC000547889980 381502368 /nfs/dbraw/zinc/50/23/68/381502368.db2.gz MDKFRRBEHAUNDK-VIFPVBQESA-N -1 0 305.356 -0.083 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)n(C)c1)C(=O)[O-] ZINC000547878354 381502554 /nfs/dbraw/zinc/50/25/54/381502554.db2.gz YFNDOJCJZUSIIF-MRVPVSSYSA-N -1 0 304.324 -0.047 20 0 DBADRM Cn1cc(C[C@@H](NS(=O)(=O)c2cccc(N)c2)C(=O)[O-])cn1 ZINC000548549170 381536873 /nfs/dbraw/zinc/53/68/73/381536873.db2.gz NUSCLWDDVYIKQO-GFCCVEGCSA-N -1 0 324.362 -0.024 20 0 DBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)CC1CCCC1 ZINC000548537241 381537623 /nfs/dbraw/zinc/53/76/23/381537623.db2.gz PCRNXVLXYVOGBM-LBPRGKRZSA-N -1 0 320.411 -0.119 20 0 DBADRM CCCCN(C)S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000548542344 381537760 /nfs/dbraw/zinc/53/77/60/381537760.db2.gz KEKHUOUWWKOFNK-SNVBAGLBSA-N -1 0 321.399 -0.514 20 0 DBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)CC1CCCC1 ZINC000548537240 381538129 /nfs/dbraw/zinc/53/81/29/381538129.db2.gz PCRNXVLXYVOGBM-GFCCVEGCSA-N -1 0 320.411 -0.119 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000548572237 381539589 /nfs/dbraw/zinc/53/95/89/381539589.db2.gz QXYXYTSWMMHFTA-VIFPVBQESA-N -1 0 307.372 -0.729 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000548571564 381539685 /nfs/dbraw/zinc/53/96/85/381539685.db2.gz PPZSORZJEOOUIZ-SNVBAGLBSA-N -1 0 316.335 -0.494 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000548587137 381541773 /nfs/dbraw/zinc/54/17/73/381541773.db2.gz VCHXQGKFQFLGFQ-LZVRBXCZSA-N -1 0 312.413 -0.664 20 0 DBADRM COC(=O)CCCS(=O)(=O)NC[C@](C)(CO)CC(=O)[O-] ZINC000548685396 381545576 /nfs/dbraw/zinc/54/55/76/381545576.db2.gz GRDRKFOWRWHPKO-LLVKDONJSA-N -1 0 311.356 -0.668 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1cncn1CC)C(=O)[O-] ZINC000548235175 381521230 /nfs/dbraw/zinc/52/12/30/381521230.db2.gz FJOCYPPFIUFKQF-WPRPVWTQSA-N -1 0 305.356 -0.205 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CCOCC1 ZINC000548239371 381521304 /nfs/dbraw/zinc/52/13/04/381521304.db2.gz DXIJOTUMDWETMV-NSHDSACASA-N -1 0 324.399 -0.331 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(=O)OC)o1 ZINC000548233315 381521374 /nfs/dbraw/zinc/52/13/74/381521374.db2.gz PNLHGMIGZLHYOX-SSDOTTSWSA-N -1 0 321.307 -0.214 20 0 DBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cnc2n1CCC2 ZINC000548251460 381521757 /nfs/dbraw/zinc/52/17/57/381521757.db2.gz SUQANEJCSNTYRD-VIFPVBQESA-N -1 0 317.367 -0.061 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)C[C@H](C)C(=O)OC)C(=O)[O-] ZINC000548266418 381522683 /nfs/dbraw/zinc/52/26/83/381522683.db2.gz UJTGQIRDSWFIJJ-CIUDSAMLSA-N -1 0 311.356 -0.671 20 0 DBADRM CC(C)[C@@H](C(=O)NCCCc1n[nH]c(=O)[n-]1)N1CCCC1=O ZINC000080975059 381551907 /nfs/dbraw/zinc/55/19/07/381551907.db2.gz KBZQLBQYOXGXTI-LBPRGKRZSA-N -1 0 309.370 -0.206 20 0 DBADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000548530647 381534961 /nfs/dbraw/zinc/53/49/61/381534961.db2.gz KVMHDLQSNQFBLS-VIFPVBQESA-N -1 0 305.356 -0.195 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N[C@H](CCO)C(=O)[O-])CC1 ZINC000548526923 381535091 /nfs/dbraw/zinc/53/50/91/381535091.db2.gz QRAPWFOWKPPNCH-MRVPVSSYSA-N -1 0 309.340 -0.915 20 0 DBADRM CN1CCc2ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc21 ZINC000548533019 381536130 /nfs/dbraw/zinc/53/61/30/381536130.db2.gz XNSGYUBSLDHYCH-NSHDSACASA-N -1 0 314.363 -0.207 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000548529476 381536382 /nfs/dbraw/zinc/53/63/82/381536382.db2.gz DIGSLEOQFZUEKP-WPRPVWTQSA-N -1 0 303.340 -0.329 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@H](C)C(=O)[O-] ZINC000250700956 381605225 /nfs/dbraw/zinc/60/52/25/381605225.db2.gz SWZNXPRMXBLRTH-DTWKUNHWSA-N -1 0 308.356 -0.431 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC2COCCOC2)c1 ZINC000615177587 381587559 /nfs/dbraw/zinc/58/75/59/381587559.db2.gz TXNOREJDLOVLKI-UHFFFAOYSA-N -1 0 316.335 -0.815 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000551786672 381588205 /nfs/dbraw/zinc/58/82/05/381588205.db2.gz BMWNSPSCJZNFHG-NSHDSACASA-N -1 0 323.401 -0.638 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](C)C(=O)OC)C1 ZINC000252437869 381613233 /nfs/dbraw/zinc/61/32/33/381613233.db2.gz YCEVTUJIFMIGIV-NXEZZACHSA-N -1 0 322.383 -0.343 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000093228372 381619458 /nfs/dbraw/zinc/61/94/58/381619458.db2.gz WBIROAXYALAJKR-UHFFFAOYSA-N -1 0 314.319 -0.439 20 0 DBADRM CN(C(=O)C(=O)NCCCCCC(=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000627276380 381619716 /nfs/dbraw/zinc/61/97/16/381619716.db2.gz CQXMPVQSLRJNDD-AOOOYVTPSA-N -1 0 313.354 -0.530 20 0 DBADRM C[C@]1(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCCO1 ZINC000153080178 381627887 /nfs/dbraw/zinc/62/78/87/381627887.db2.gz SGEMVXIMUVPLMW-CQSZACIVSA-N -1 0 304.306 -0.090 20 0 DBADRM COCCO[C@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000566237948 381647253 /nfs/dbraw/zinc/64/72/53/381647253.db2.gz XJEHSAQBKTYXGZ-NSHDSACASA-N -1 0 316.354 -0.379 20 0 DBADRM Cc1ncc(S(=O)(=O)NC[C@H]2COCCO2)cc1C(=O)[O-] ZINC000566180361 381639755 /nfs/dbraw/zinc/63/97/55/381639755.db2.gz FUBIMPWNXUNZPA-VIFPVBQESA-N -1 0 316.335 -0.218 20 0 DBADRM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cccnc1C(=O)[O-] ZINC000566177098 381639816 /nfs/dbraw/zinc/63/98/16/381639816.db2.gz MUSWCSXGPOJWOT-SSDOTTSWSA-N -1 0 322.364 -0.509 20 0 DBADRM COCCOC1CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000566173526 381640804 /nfs/dbraw/zinc/64/08/04/381640804.db2.gz NIJMQDKPLKFFSL-UHFFFAOYSA-N -1 0 316.335 -0.184 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(c3nccn4nnnc34)C2)nn1 ZINC000566564089 381663932 /nfs/dbraw/zinc/66/39/32/381663932.db2.gz QRIZSUZGWNXWML-QMMMGPOBSA-N -1 0 315.297 -0.350 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000567809176 381714815 /nfs/dbraw/zinc/71/48/15/381714815.db2.gz KLVPCKPEPAEZNN-VWYCJHECSA-N -1 0 304.368 -0.109 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000567234646 381688197 /nfs/dbraw/zinc/68/81/97/381688197.db2.gz DCHNGNZRTBEFQH-GARJFASQSA-N -1 0 315.370 -0.110 20 0 DBADRM C[C@H]1CCN(C(=O)NCCCCS(N)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000567382361 381692212 /nfs/dbraw/zinc/69/22/12/381692212.db2.gz DMTLDPZZIZWFEK-UWVGGRQHSA-N -1 0 321.399 -0.193 20 0 DBADRM COC[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(C)C ZINC000567673569 381707918 /nfs/dbraw/zinc/70/79/18/381707918.db2.gz LILSXGQHCLZGAM-UWVGGRQHSA-N -1 0 322.383 -0.449 20 0 DBADRM CC[C@H](Sc1nc(NCCO)nc(NC(C)C)n1)C(=O)[O-] ZINC000567980991 381729020 /nfs/dbraw/zinc/72/90/20/381729020.db2.gz WMPCXPNXYZQHJH-QMMMGPOBSA-N -1 0 315.399 -0.105 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)NCCCC(=O)[O-])n(C)c1 ZINC000568087686 381735315 /nfs/dbraw/zinc/73/53/15/381735315.db2.gz PRTLOSCMGTZOJI-UHFFFAOYSA-N -1 0 317.367 -0.130 20 0 DBADRM C[C@@H](C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1)N1CCOCC1 ZINC000568216352 381745227 /nfs/dbraw/zinc/74/52/27/381745227.db2.gz OSCYUYUGNUZTRA-JTQLQIEISA-N -1 0 309.370 -0.063 20 0 DBADRM CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000063142727 184273559 /nfs/dbraw/zinc/27/35/59/184273559.db2.gz CRNLGXZZXDALPE-MRVPVSSYSA-N -1 0 301.386 -0.597 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000567862816 381720784 /nfs/dbraw/zinc/72/07/84/381720784.db2.gz WMCWVPYASRWAAS-KBVBSXBZSA-N -1 0 308.338 -0.081 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCCC1)[C@H]1CCc2nnnn2CC1 ZINC000569009449 381783500 /nfs/dbraw/zinc/78/35/00/381783500.db2.gz WZABBVMUOKUFPI-VIFPVBQESA-N -1 0 317.357 -0.276 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000572812584 381800344 /nfs/dbraw/zinc/80/03/44/381800344.db2.gz QXPCNXDNKFTDEQ-PSASIEDQSA-N -1 0 303.340 -0.436 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000569110207 381787559 /nfs/dbraw/zinc/78/75/59/381787559.db2.gz GKLRYLRQSPHWMJ-WPRPVWTQSA-N -1 0 302.356 -0.136 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000569110205 381787801 /nfs/dbraw/zinc/78/78/01/381787801.db2.gz GKLRYLRQSPHWMJ-SCZZXKLOSA-N -1 0 302.356 -0.136 20 0 DBADRM Cc1c(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])cnn1C ZINC000569114358 381787805 /nfs/dbraw/zinc/78/78/05/381787805.db2.gz IMXMLUVNNNGJEK-JTQLQIEISA-N -1 0 302.356 -0.388 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000569124145 381790442 /nfs/dbraw/zinc/79/04/42/381790442.db2.gz ZEJHKIUIYFUEQY-NSHDSACASA-N -1 0 313.335 -0.758 20 0 DBADRM COCCO[C@H]1COCC[C@H]1NC(=O)NCCCC(=O)[O-] ZINC000569220121 381792261 /nfs/dbraw/zinc/79/22/61/381792261.db2.gz MSAQHYCYQDDNNW-MNOVXSKESA-N -1 0 304.343 -0.029 20 0 DBADRM C[C@H](O)[C@@H]1CCN(c2cc(NC[C@@](C)(O)C(=O)[O-])ncn2)C1 ZINC000569225358 381792702 /nfs/dbraw/zinc/79/27/02/381792702.db2.gz JSCHTZAVTQZGMQ-IMSIIYSGSA-N -1 0 310.354 -0.069 20 0 DBADRM COCCOCCOCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000569242149 381793368 /nfs/dbraw/zinc/79/33/68/381793368.db2.gz QVQXHVLFFVUKMF-UHFFFAOYSA-N -1 0 307.372 -0.159 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2CCC[C@](O)(CO)C2)c1 ZINC000569244734 381794308 /nfs/dbraw/zinc/79/43/08/381794308.db2.gz YKLMKYBMDPYRSE-OAHLLOKOSA-N -1 0 322.317 -0.331 20 0 DBADRM Cn1[n-]nnc1=NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000568457128 381762510 /nfs/dbraw/zinc/76/25/10/381762510.db2.gz ZQNOLOLPKHOPQN-UHFFFAOYSA-N -1 0 315.381 -0.368 20 0 DBADRM O=C([O-])C(=O)N1CCN(CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000568634292 381768062 /nfs/dbraw/zinc/76/80/62/381768062.db2.gz PJGIKBOJOAAJDL-UHFFFAOYSA-N -1 0 309.366 -0.480 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000568741259 381772642 /nfs/dbraw/zinc/77/26/42/381772642.db2.gz QCECEVSTTZBQMN-LBPRGKRZSA-N -1 0 317.367 -0.078 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC000568857573 381776311 /nfs/dbraw/zinc/77/63/11/381776311.db2.gz HYCQJMUHIGVCFQ-LLVKDONJSA-N -1 0 303.340 -0.185 20 0 DBADRM CCCN(CCC)S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000167257758 381822321 /nfs/dbraw/zinc/82/23/21/381822321.db2.gz PKJUCHUGMQKMKX-UHFFFAOYSA-N -1 0 319.387 -0.181 20 0 DBADRM CNC(=O)c1cccc(OCC(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000573608207 381832949 /nfs/dbraw/zinc/83/29/49/381832949.db2.gz GANUXOJADXYPHN-AWEZNQCLSA-N -1 0 310.306 -0.623 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCc2cccnn2)C[C@H]1C(=O)[O-] ZINC000573564464 381833259 /nfs/dbraw/zinc/83/32/59/381833259.db2.gz JKXPOJSNSJMZLF-GXSJLCMTSA-N -1 0 306.322 -0.338 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)N[C@@]2(CO)CCOC2)s[n-]1 ZINC000573672450 381836623 /nfs/dbraw/zinc/83/66/23/381836623.db2.gz IDNWAXUHCVQTOC-RDDDGLTNSA-N -1 0 302.356 -0.060 20 0 DBADRM CC[C@@H](NC(=O)CSCC(=O)[O-])C(=O)N1CCOCC1 ZINC000573003849 381809496 /nfs/dbraw/zinc/80/94/96/381809496.db2.gz CGAKANAJKIDFTM-SECBINFHSA-N -1 0 304.368 -0.442 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1 ZINC000573157784 381816123 /nfs/dbraw/zinc/81/61/23/381816123.db2.gz USBHIRSZSBNYAO-SECBINFHSA-N -1 0 308.356 -0.477 20 0 DBADRM Cc1nc(S(=O)(=O)N(C)C2(C(=O)[O-])CCOCC2)c[nH]1 ZINC000573232109 381818677 /nfs/dbraw/zinc/81/86/77/381818677.db2.gz XKVSVXLJGYAANI-UHFFFAOYSA-N -1 0 303.340 -0.028 20 0 DBADRM O=C([O-])C1(C(=O)NCCN2CCCS2(=O)=O)CCCC1 ZINC000575126627 381887238 /nfs/dbraw/zinc/88/72/38/381887238.db2.gz KZXHHSMBALPBHH-UHFFFAOYSA-N -1 0 304.368 -0.217 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)o1 ZINC000575063448 381881504 /nfs/dbraw/zinc/88/15/04/381881504.db2.gz VUIWFGMBWFDMBQ-RKDXNWHRSA-N -1 0 316.335 -0.073 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1(CC(=O)OC)CC1 ZINC000574133373 381852132 /nfs/dbraw/zinc/85/21/32/381852132.db2.gz MCLNXPPFPINPGD-VIFPVBQESA-N -1 0 323.367 -0.309 20 0 DBADRM CO[C@H]1CCN(C(=O)CN2CSCC2=O)[C@@H](C(=O)[O-])C1 ZINC000574220534 381856016 /nfs/dbraw/zinc/85/60/16/381856016.db2.gz LHRFKSMICFDTSE-DTWKUNHWSA-N -1 0 302.352 -0.390 20 0 DBADRM NS(=O)(=O)c1ccc(N2C[C@H](O)C3(CC3)C2)c(C(=O)[O-])c1 ZINC000574328617 381860540 /nfs/dbraw/zinc/86/05/40/381860540.db2.gz SJPJCGMVFGHHPU-NSHDSACASA-N -1 0 312.347 -0.007 20 0 DBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCNC(=O)CC1)C2 ZINC000574510617 381867568 /nfs/dbraw/zinc/86/75/68/381867568.db2.gz GUCVRXLJTBLZNH-ZUZCIYMTSA-N -1 0 323.349 -0.952 20 0 DBADRM CNC(=O)[C@H](CNC(=O)C(=O)[O-])Cc1ccc(OC)c(F)c1 ZINC000574637736 381872387 /nfs/dbraw/zinc/87/23/87/381872387.db2.gz IDJVULBTSSRAAI-VIFPVBQESA-N -1 0 312.297 -0.060 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000575923314 381905785 /nfs/dbraw/zinc/90/57/85/381905785.db2.gz CYDWVHMICLXXPT-VWYCJHECSA-N -1 0 300.355 -0.046 20 0 DBADRM Cc1nn(C)c2ncc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc12 ZINC000576053704 381911609 /nfs/dbraw/zinc/91/16/09/381911609.db2.gz ZCSUEJVBSKQXKD-SECBINFHSA-N -1 0 314.323 -0.999 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CSCC(=O)[O-] ZINC000576279119 381918510 /nfs/dbraw/zinc/91/85/10/381918510.db2.gz IASVQJYLQGCJGG-DTWKUNHWSA-N -1 0 324.424 -0.362 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CCC[C@@]1(C)CO)C(=O)[O-] ZINC000576576678 381928255 /nfs/dbraw/zinc/92/82/55/381928255.db2.gz KZIZDCUXCQLXND-AWEZNQCLSA-N -1 0 300.355 -0.023 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000577385858 381959480 /nfs/dbraw/zinc/95/94/80/381959480.db2.gz ORHFSHQVEDYRCG-UHFFFAOYSA-N -1 0 318.340 -0.101 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000577572066 381965542 /nfs/dbraw/zinc/96/55/42/381965542.db2.gz DYFBJTKWUOUGIM-YPMHNXCESA-N -1 0 318.395 -0.004 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 ZINC000577637800 381968362 /nfs/dbraw/zinc/96/83/62/381968362.db2.gz GIZBBMLAGKFEJI-ZETCQYMHSA-N -1 0 313.335 -0.088 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCCCC(=O)[O-] ZINC000577610539 381968558 /nfs/dbraw/zinc/96/85/58/381968558.db2.gz KZHVNPBBAXPNBI-NXEZZACHSA-N -1 0 302.327 -0.722 20 0 DBADRM Cc1cc(NCCNC(=O)CSc2n[nH]c(=O)[n-]2)n(C)n1 ZINC000577763709 381972836 /nfs/dbraw/zinc/97/28/36/381972836.db2.gz PRSKHAYQFGNDSV-UHFFFAOYSA-N -1 0 311.371 -0.127 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000578132146 381996063 /nfs/dbraw/zinc/99/60/63/381996063.db2.gz PLNMAMDVDLSNSK-VHSXEESVSA-N -1 0 306.384 -0.259 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000578235329 382006459 /nfs/dbraw/zinc/00/64/59/382006459.db2.gz XJLMNUFSXHGOOE-WDEREUQCSA-N -1 0 324.399 -0.331 20 0 DBADRM Cn1ccnc1-c1cc(NC(=O)CCNS(C)(=O)=O)n[nH]1 ZINC000179056448 381987974 /nfs/dbraw/zinc/98/79/74/381987974.db2.gz IGJUMBNKGJAAHC-UHFFFAOYSA-N -1 0 312.355 -0.312 20 0 DBADRM CCc1ncc(NS(=O)(=O)CCCCS(N)(=O)=O)cn1 ZINC000349604039 381989856 /nfs/dbraw/zinc/98/98/56/381989856.db2.gz DDMHJPRAJBRXKN-UHFFFAOYSA-N -1 0 322.412 -0.151 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCOC[C@@]23CCOC3)c[nH]1 ZINC000579194153 382054129 /nfs/dbraw/zinc/05/41/29/382054129.db2.gz XRDULSJNXQFRDW-LBPRGKRZSA-N -1 0 316.335 -0.107 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c(F)c1 ZINC000579303466 382061189 /nfs/dbraw/zinc/06/11/89/382061189.db2.gz BUGMBIFJZYZHJG-LDWIPMOCSA-N -1 0 307.299 -0.053 20 0 DBADRM CC(C)OC[C@H]1CN(C(=O)C(=O)N(C)CCC(=O)[O-])CCO1 ZINC000578518497 382019814 /nfs/dbraw/zinc/01/98/14/382019814.db2.gz LNYAUPPZPGDEQF-LLVKDONJSA-N -1 0 316.354 -0.428 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000578538240 382021482 /nfs/dbraw/zinc/02/14/82/382021482.db2.gz QUFBAJVTNFSOPO-OPRDCNLKSA-N -1 0 322.383 -0.738 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000578550688 382023750 /nfs/dbraw/zinc/02/37/50/382023750.db2.gz LHMSOMVBLXFTIM-MWLCHTKSSA-N -1 0 317.367 -0.425 20 0 DBADRM COCCN(C(=O)N1CCS(=O)(=O)CC1)[C@@H](C)C(=O)[O-] ZINC000578599403 382023944 /nfs/dbraw/zinc/02/39/44/382023944.db2.gz QAJCCPPMFCZUNF-VIFPVBQESA-N -1 0 308.356 -0.742 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000578654796 382027906 /nfs/dbraw/zinc/02/79/06/382027906.db2.gz HPJCQJLBPJNHSF-BDAKNGLRSA-N -1 0 312.326 -0.470 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC000578752770 382032749 /nfs/dbraw/zinc/03/27/49/382032749.db2.gz ZYEWYKJCVSBYJU-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC000578769453 382034787 /nfs/dbraw/zinc/03/47/87/382034787.db2.gz RSKOBPLZFZKTRR-SNVBAGLBSA-N -1 0 323.305 -0.531 20 0 DBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H](C)C(=O)[O-])CC1 ZINC000578892021 382038553 /nfs/dbraw/zinc/03/85/53/382038553.db2.gz WBIABKQCFVLXET-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000579964300 382104328 /nfs/dbraw/zinc/10/43/28/382104328.db2.gz BMFIHILWAJIGEZ-LPEHRKFASA-N -1 0 320.367 -0.984 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000580777373 382113073 /nfs/dbraw/zinc/11/30/73/382113073.db2.gz RJRDLDLXGOBFLE-RQJHMYQMSA-N -1 0 307.310 -0.328 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)NCCCC(=O)[O-])CC1 ZINC000580832093 382114162 /nfs/dbraw/zinc/11/41/62/382114162.db2.gz PHHAOOPWSNEFGJ-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC000579597112 382078595 /nfs/dbraw/zinc/07/85/95/382078595.db2.gz YKOJNOYGRAAEDN-QWRGUYRKSA-N -1 0 309.370 -0.063 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000579593198 382078741 /nfs/dbraw/zinc/07/87/41/382078741.db2.gz WSPPCFWVYPNGHM-NSHDSACASA-N -1 0 323.353 -0.502 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCCCC(=O)[O-] ZINC000579709035 382087515 /nfs/dbraw/zinc/08/75/15/382087515.db2.gz MJUJINZVXCIDGL-RKDXNWHRSA-N -1 0 317.342 -0.393 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOCC3(CC3)C2)C1 ZINC000579702108 382088236 /nfs/dbraw/zinc/08/82/36/382088236.db2.gz YKLHWJXZVXOVJT-AWEZNQCLSA-N -1 0 310.350 -0.051 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)Cc2ccon2)C(=O)[O-])c1 ZINC000579785770 382092068 /nfs/dbraw/zinc/09/20/68/382092068.db2.gz SZCBYFVGJHKHSF-JTQLQIEISA-N -1 0 314.323 -0.248 20 0 DBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000581074519 382129143 /nfs/dbraw/zinc/12/91/43/382129143.db2.gz OMGCKSZTADFABS-QEYWKRMJSA-N -1 0 301.295 -0.857 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cn1C ZINC000579828460 382094043 /nfs/dbraw/zinc/09/40/43/382094043.db2.gz YNEWTYNSMUZFEN-ZKCHVHJHSA-N -1 0 315.351 -0.474 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000581763945 382174797 /nfs/dbraw/zinc/17/47/97/382174797.db2.gz XHWYZJDUFNZTFF-SKDRFNHKSA-N -1 0 315.351 -0.170 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2C[C@H]2C2CC2)CCS1(=O)=O ZINC000581809539 382176289 /nfs/dbraw/zinc/17/62/89/382176289.db2.gz MYMDEJIWAWWWDU-IVZWLZJFSA-N -1 0 302.352 -0.322 20 0 DBADRM CC(C)NC(=O)c1cnn2c1C[C@@H](CN=c1nn[n-]n1C)CC2 ZINC000581880694 382178450 /nfs/dbraw/zinc/17/84/50/382178450.db2.gz GAKPIARTQYQDAV-JTQLQIEISA-N -1 0 318.385 -0.359 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)C1(C(=O)[O-])CCOCC1 ZINC000581134447 382131491 /nfs/dbraw/zinc/13/14/91/382131491.db2.gz WTRZTYJQQCPQAJ-UHFFFAOYSA-N -1 0 316.354 -0.521 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC000581191376 382133968 /nfs/dbraw/zinc/13/39/68/382133968.db2.gz YBRLAOUKCGYDBI-QMMMGPOBSA-N -1 0 307.310 -0.292 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC000581191375 382134303 /nfs/dbraw/zinc/13/43/03/382134303.db2.gz YBRLAOUKCGYDBI-MRVPVSSYSA-N -1 0 307.310 -0.292 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000380988472 382140417 /nfs/dbraw/zinc/14/04/17/382140417.db2.gz FZYFKRHOUIYLAJ-LLVKDONJSA-N -1 0 305.356 -0.195 20 0 DBADRM Cc1c(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)cnn1C ZINC000381701063 382144960 /nfs/dbraw/zinc/14/49/60/382144960.db2.gz GSWDDHUFACMVMG-SNVBAGLBSA-N -1 0 305.381 -0.033 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)CSCC(=O)[O-] ZINC000581488065 382151252 /nfs/dbraw/zinc/15/12/52/382151252.db2.gz JYPIUZUCIVHDSV-UHFFFAOYSA-N -1 0 312.413 -0.362 20 0 DBADRM COC(=O)c1cn(CC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)nn1 ZINC000581491827 382151548 /nfs/dbraw/zinc/15/15/48/382151548.db2.gz IZSVFYSDZYSULA-DTWKUNHWSA-N -1 0 310.310 -0.224 20 0 DBADRM COC(=O)c1cn(CC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)nn1 ZINC000581491829 382153509 /nfs/dbraw/zinc/15/35/09/382153509.db2.gz IZSVFYSDZYSULA-RKDXNWHRSA-N -1 0 310.310 -0.224 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cnn(C)c1C)C(=O)[O-] ZINC000581584427 382159449 /nfs/dbraw/zinc/15/94/49/382159449.db2.gz GFFMEYPHIBPSCH-PSASIEDQSA-N -1 0 305.356 -0.379 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)C1 ZINC000581585779 382159562 /nfs/dbraw/zinc/15/95/62/382159562.db2.gz SYRQRYXCTAWXQS-NQBHXWOUSA-N -1 0 318.395 -0.004 20 0 DBADRM C[C@H]1CCN(C(=O)NCCN2C(=O)CCC2=O)C[C@@H]1C(=O)[O-] ZINC000581605958 382160438 /nfs/dbraw/zinc/16/04/38/382160438.db2.gz JJMHRBQQRCENAV-UWVGGRQHSA-N -1 0 311.338 -0.112 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000581726911 382172927 /nfs/dbraw/zinc/17/29/27/382172927.db2.gz QPVVEARDNFQPIW-AXFHLTTASA-N -1 0 323.353 -0.648 20 0 DBADRM CC(C)C[C@H](CNC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)C(=O)[O-] ZINC000386666170 382196930 /nfs/dbraw/zinc/19/69/30/382196930.db2.gz NMCAZQJPJSMUBT-BBBLOLIVSA-N -1 0 311.338 -0.353 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)N2CCC(O)(C(=O)[O-])CC2)CC1=O ZINC000386718653 382197274 /nfs/dbraw/zinc/19/72/74/382197274.db2.gz YWRNLXZGTWTFFA-NSHDSACASA-N -1 0 312.366 -0.071 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC(=O)N[C@H](C)C1 ZINC000386973989 382198521 /nfs/dbraw/zinc/19/85/21/382198521.db2.gz CETQPMFNDKHLHJ-ZCFIWIBFSA-N -1 0 302.308 -0.205 20 0 DBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000581987546 382200847 /nfs/dbraw/zinc/20/08/47/382200847.db2.gz KFABLQHWTSKFGW-AXTSPUMRSA-N -1 0 323.367 -0.528 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000581997065 382206453 /nfs/dbraw/zinc/20/64/53/382206453.db2.gz NMNUDTIIMVISKF-NEPJUHHUSA-N -1 0 310.350 -0.053 20 0 DBADRM CN1C(=O)c2ccccc2[C@H]1CNC(=O)C(=O)NCCC(=O)[O-] ZINC000627277773 382213458 /nfs/dbraw/zinc/21/34/58/382213458.db2.gz XRIVXWOCRQKAND-LLVKDONJSA-N -1 0 319.317 -0.480 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000627280439 382215295 /nfs/dbraw/zinc/21/52/95/382215295.db2.gz IAUAORSMYCLIBA-JTQLQIEISA-N -1 0 323.353 -0.373 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)C1 ZINC000627279515 382215624 /nfs/dbraw/zinc/21/56/24/382215624.db2.gz OLGKDJJDWBHFTB-PVTKRXDGSA-N -1 0 324.377 -0.023 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2csc(C(=O)[O-])c2)CC(=O)N1 ZINC000387356050 382217554 /nfs/dbraw/zinc/21/75/54/382217554.db2.gz VVUWIFAUJGPWSW-ZCFIWIBFSA-N -1 0 304.349 -0.045 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCCn2cncn2)C1 ZINC000627286322 382254089 /nfs/dbraw/zinc/25/40/89/382254089.db2.gz JSPWWIIIJNAGTK-WDEREUQCSA-N -1 0 323.353 -0.646 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC000627286778 382259464 /nfs/dbraw/zinc/25/94/64/382259464.db2.gz YLVLTIQKOAEUOU-ONGXEEELSA-N -1 0 323.349 -0.811 20 0 DBADRM Cc1ccc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cn1 ZINC000047542340 382266464 /nfs/dbraw/zinc/26/64/64/382266464.db2.gz TXPMHFKVZFKQNQ-UHFFFAOYSA-N -1 0 324.362 -0.734 20 0 DBADRM O=C(NCCN1CCOCC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000047477334 382266931 /nfs/dbraw/zinc/26/69/31/382266931.db2.gz DDRIGGLWTSJASR-UHFFFAOYSA-N -1 0 319.321 -0.914 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]2CO)c1 ZINC000616101202 382334132 /nfs/dbraw/zinc/33/41/32/382334132.db2.gz NYGOSJPXCCEJFH-LDYMZIIASA-N -1 0 314.363 -0.070 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H](O)C2CCC2)c1 ZINC000616119120 382335982 /nfs/dbraw/zinc/33/59/82/382335982.db2.gz VRDSUISRTQNLTC-GFCCVEGCSA-N -1 0 314.363 -0.070 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)N(C)CC1CC1)C(=O)[O-] ZINC000618448473 382361387 /nfs/dbraw/zinc/36/13/87/382361387.db2.gz QQOGPFLCLIXVFE-JTQLQIEISA-N -1 0 322.383 -0.041 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC000400199993 382390228 /nfs/dbraw/zinc/39/02/28/382390228.db2.gz FAXXAWZZIOCSMV-BDAKNGLRSA-N -1 0 319.383 -0.333 20 0 DBADRM CCOC(=O)c1nc(NC(=O)c2cnc([O-])n(C)c2=O)c[nH]1 ZINC000619447145 382394030 /nfs/dbraw/zinc/39/40/30/382394030.db2.gz MKVSHJSZFSFSSZ-UHFFFAOYSA-N -1 0 307.266 -0.362 20 0 DBADRM CC(C)(C)OC(=O)c1cnc(C(=O)NCc2nnn[n-]2)cn1 ZINC000619806667 382429096 /nfs/dbraw/zinc/42/90/96/382429096.db2.gz KXHPPZHEBFZORR-UHFFFAOYSA-N -1 0 305.298 -0.125 20 0 DBADRM O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1n[nH]c(=O)[n-]c1=O ZINC000621005575 382462167 /nfs/dbraw/zinc/46/21/67/382462167.db2.gz JYBKSBHGMJJGLW-VIFPVBQESA-N -1 0 321.337 -0.054 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC000621607159 382493222 /nfs/dbraw/zinc/49/32/22/382493222.db2.gz NNPGBJPLIIYPLI-IUCAKERBSA-N -1 0 307.393 -0.160 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCCCC[C@H]2C(=O)[O-])S1(=O)=O ZINC000621570347 382489643 /nfs/dbraw/zinc/48/96/43/382489643.db2.gz URBVHCMPFYJKBB-UWVGGRQHSA-N -1 0 304.368 -0.124 20 0 DBADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC000621558518 382489699 /nfs/dbraw/zinc/48/96/99/382489699.db2.gz IHCNYLTZLMEIDN-LLVKDONJSA-N -1 0 310.331 -0.081 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@]2(C)C(=O)[O-])nn1 ZINC000621576712 382490770 /nfs/dbraw/zinc/49/07/70/382490770.db2.gz ZFAUWHGKJOAIQG-CYBMUJFWSA-N -1 0 309.326 -0.554 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCS1(=O)=O ZINC000621599352 382491173 /nfs/dbraw/zinc/49/11/73/382491173.db2.gz YBPRBVSVSXVTMW-ZJUUUORDSA-N -1 0 304.368 -0.219 20 0 DBADRM Cc1oc(C(=O)NCC2(C(=O)[O-])CC2)cc1S(N)(=O)=O ZINC000621572302 382491898 /nfs/dbraw/zinc/49/18/98/382491898.db2.gz HCQWOCBCOBZNKX-UHFFFAOYSA-N -1 0 302.308 -0.170 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)Cn2cc(C3CC3)cn2)n[n-]1 ZINC000621792889 382506735 /nfs/dbraw/zinc/50/67/35/382506735.db2.gz PJJRWILIBKWBTG-UHFFFAOYSA-N -1 0 310.339 -0.079 20 0 DBADRM CCN1CCO[C@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000621871263 382518544 /nfs/dbraw/zinc/51/85/44/382518544.db2.gz GNCDTLKUUGKAMA-SNVBAGLBSA-N -1 0 305.338 -0.527 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C[C@H]1CO ZINC000622045845 382539435 /nfs/dbraw/zinc/53/94/35/382539435.db2.gz ADCDCDJGUPYOJZ-WOPDTQHZSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@H](CO)C2)C[C@H]1C(=O)[O-] ZINC000622046134 382540605 /nfs/dbraw/zinc/54/06/05/382540605.db2.gz KGLKENBVHFRJRF-WHOHXGKFSA-N -1 0 312.366 -0.358 20 0 DBADRM CCN(CC)C(=O)CN1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC000080212610 382551247 /nfs/dbraw/zinc/55/12/47/382551247.db2.gz CDVLFTYBTVKTSL-UHFFFAOYSA-N -1 0 310.358 -0.864 20 0 DBADRM O=C(NCCNC(=O)c1ccc(Cl)cc1)c1n[nH]c(=O)[n-]1 ZINC000080329591 382553058 /nfs/dbraw/zinc/55/30/58/382553058.db2.gz QANXYBGGVWOXLF-UHFFFAOYSA-N -1 0 309.713 -0.089 20 0 DBADRM CSc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000622552749 382570384 /nfs/dbraw/zinc/57/03/84/382570384.db2.gz OKAHFXWMQHNXGJ-UHFFFAOYSA-N -1 0 318.376 -0.112 20 0 DBADRM Cn1nc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)ccc1=O ZINC000622611844 382571498 /nfs/dbraw/zinc/57/14/98/382571498.db2.gz LUOJVJLRFBLJJJ-LBPRGKRZSA-N -1 0 311.305 -0.187 20 0 DBADRM CN(CC(=O)N[C@H](c1nnn[n-]1)c1ccccc1)S(C)(=O)=O ZINC000622609813 382572385 /nfs/dbraw/zinc/57/23/85/382572385.db2.gz ITNFZTQJJZSLCG-NSHDSACASA-N -1 0 324.366 -0.703 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCN(C2CC2)CC1 ZINC000124710159 382593950 /nfs/dbraw/zinc/59/39/50/382593950.db2.gz PILTWTHYXDSOPG-UHFFFAOYSA-N -1 0 315.333 -0.468 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCn1ccnn1 ZINC000126238699 382613422 /nfs/dbraw/zinc/61/34/22/382613422.db2.gz NXOCPVKIGMZOLQ-UHFFFAOYSA-N -1 0 317.352 -0.500 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000624476686 382614031 /nfs/dbraw/zinc/61/40/31/382614031.db2.gz FWGGFQBGZUZNKN-ZETCQYMHSA-N -1 0 300.340 -0.683 20 0 DBADRM CC1(C(N)=O)CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC000627905923 382644994 /nfs/dbraw/zinc/64/49/94/382644994.db2.gz CARLSWWJSAOPFX-UHFFFAOYSA-N -1 0 312.351 -0.600 20 0 DBADRM CO[C@H](C)c1nc(=N[C@H](CO)CN2CCOCC2)s[n-]1 ZINC000631306769 382646905 /nfs/dbraw/zinc/64/69/05/382646905.db2.gz IWRBCUOUOHFEJT-ZJUUUORDSA-N -1 0 302.400 -0.228 20 0 DBADRM CC(C)NC(=O)CN1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000631675745 382649634 /nfs/dbraw/zinc/64/96/34/382649634.db2.gz OMHWCILKUOFVEQ-UHFFFAOYSA-N -1 0 315.399 -0.759 20 0 DBADRM O=C1NC[C@H]2CN(S(=O)(=O)c3cc([O-])cc(F)c3)CCN12 ZINC000632078199 382661421 /nfs/dbraw/zinc/66/14/21/382661421.db2.gz LBKZVQQAOPUSLH-VIFPVBQESA-N -1 0 315.326 -0.071 20 0 DBADRM CNC(=O)[C@H]1CN(S(=O)(=O)c2cc([O-])cc(F)c2)CCO1 ZINC000632198243 382663722 /nfs/dbraw/zinc/66/37/22/382663722.db2.gz XVUSOLSFARYGAH-LLVKDONJSA-N -1 0 318.326 -0.333 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2ncc[n-]2)CCN1CC(C)(C)O ZINC000632258012 382665370 /nfs/dbraw/zinc/66/53/70/382665370.db2.gz SLKDMKLCOPLMAB-JTQLQIEISA-N -1 0 302.400 -0.125 20 0 DBADRM O=S(=O)(c1cc([O-])cc(F)c1)N1CC[C@H](O)[C@@H](CO)C1 ZINC000632461026 382671201 /nfs/dbraw/zinc/67/12/01/382671201.db2.gz JMEJGZOIUQFWRD-PELKAZGASA-N -1 0 305.327 -0.105 20 0 DBADRM C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ncc[n-]1 ZINC000632500411 382671935 /nfs/dbraw/zinc/67/19/35/382671935.db2.gz VYRSZZAMJPAGOM-SECBINFHSA-N -1 0 301.372 -0.850 20 0 DBADRM CCN1CC[C@H](NS(=O)(=O)c2cnn3c2OCCC3)C1=O ZINC000632611260 382675298 /nfs/dbraw/zinc/67/52/98/382675298.db2.gz AUPSYKOJLULHAS-VIFPVBQESA-N -1 0 314.367 -0.435 20 0 DBADRM CC(C)CN1C[C@@H]2CN(C(=O)CCc3nnn[n-]3)CCN2C1=O ZINC000632777803 382678225 /nfs/dbraw/zinc/67/82/25/382678225.db2.gz WJNWTGMOWQVVHE-NSHDSACASA-N -1 0 321.385 -0.263 20 0 DBADRM O=C(CCc1nnn[n-]1)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000633051321 382680492 /nfs/dbraw/zinc/68/04/92/382680492.db2.gz PADQSDJQXPMIBS-MRVPVSSYSA-N -1 0 322.291 -0.488 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](C)C2)C1 ZINC000633062462 382680807 /nfs/dbraw/zinc/68/08/07/382680807.db2.gz AMZGIBWOPNPNKY-QMTHXVAHSA-N -1 0 314.338 -0.817 20 0 DBADRM COCC(COC)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000627637128 382638927 /nfs/dbraw/zinc/63/89/27/382638927.db2.gz RORRALJATBABLT-UHFFFAOYSA-N -1 0 317.367 -0.156 20 0 DBADRM C[C@@H]1CCCN(C(=O)CN2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])C1 ZINC000333628978 296369351 /nfs/dbraw/zinc/36/93/51/296369351.db2.gz VLYVFCFNDCNJGI-NXEZZACHSA-N -1 0 323.353 -0.489 20 0 DBADRM COC[C@H](NC(=O)[C@@H](C)NC(=O)COc1ccccc1)C(=O)[O-] ZINC000449001325 533070063 /nfs/dbraw/zinc/07/00/63/533070063.db2.gz KMNDMGALYWJVOF-PWSUYJOCSA-N -1 0 324.333 -0.214 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)C[C@@H]2CCCCO2)CCOC1 ZINC000447159473 533150367 /nfs/dbraw/zinc/15/03/67/533150367.db2.gz LEZNOMDWWYKOAF-CMPLNLGQSA-N -1 0 307.368 -0.193 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)NCCCCCC(=O)[O-])c2=O ZINC000355868719 220637937 /nfs/dbraw/zinc/63/79/37/220637937.db2.gz YSVONGXGHRNKST-UHFFFAOYSA-N -1 0 321.337 -0.109 20 0 DBADRM O=C([O-])CSCCNC(=O)Cn1nnc2ccccc2c1=O ZINC000362563289 220815671 /nfs/dbraw/zinc/81/56/71/220815671.db2.gz XTWDXXJOSFLUIZ-UHFFFAOYSA-N -1 0 322.346 -0.275 20 0 DBADRM CC1CCC2(CC1)NC(=O)N(CC(=O)[N-]OCC(N)=O)C2=O ZINC000368465635 220889815 /nfs/dbraw/zinc/88/98/15/220889815.db2.gz HZYMTTNPNSGQLD-UHFFFAOYSA-N -1 0 312.326 -0.980 20 0 DBADRM CCCc1nc(=NC(=O)N[C@H](CCOC)C(N)=O)s[n-]1 ZINC000350899364 535475030 /nfs/dbraw/zinc/47/50/30/535475030.db2.gz MECGXHYQKNCTMT-SSDOTTSWSA-N -1 0 301.372 -0.076 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)CC2CCOCC2)CCOC1 ZINC000447157401 533634569 /nfs/dbraw/zinc/63/45/69/533634569.db2.gz NIFCYTSMJQZBBN-LBPRGKRZSA-N -1 0 307.368 -0.336 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000272228944 130009877 /nfs/dbraw/zinc/00/98/77/130009877.db2.gz LRJNAXBDTQAOAE-VIFPVBQESA-N -1 0 301.368 -0.389 20 0 DBADRM C[C@@H](CN(C)C(=O)CSc1nnnn1C1CC1)c1nnn[n-]1 ZINC000273582292 130140966 /nfs/dbraw/zinc/14/09/66/130140966.db2.gz PDORAUBCTYHKHK-ZETCQYMHSA-N -1 0 323.386 -0.125 20 0 DBADRM COc1ccc(S(=O)(=O)N(C)CC(N)=O)cc1CC(=O)[O-] ZINC000273705174 130157170 /nfs/dbraw/zinc/15/71/70/130157170.db2.gz OFPPSKDUAGTEON-UHFFFAOYSA-N -1 0 316.335 -0.572 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c(F)cc1F ZINC000274899517 130271210 /nfs/dbraw/zinc/27/12/10/130271210.db2.gz HVVLXPRMAVTTHY-MRVPVSSYSA-N -1 0 322.289 -0.120 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(C)c1F ZINC000274906478 130271830 /nfs/dbraw/zinc/27/18/30/130271830.db2.gz JLNQIPHISJLCFF-ZETCQYMHSA-N -1 0 307.299 -0.133 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1 ZINC000274930354 130274448 /nfs/dbraw/zinc/27/44/48/130274448.db2.gz OVFZPKXMPVPASU-SSDOTTSWSA-N -1 0 307.280 -0.820 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000274927002 130275244 /nfs/dbraw/zinc/27/52/44/130275244.db2.gz ZDZGMPJOAFOODM-GXSJLCMTSA-N -1 0 306.347 -0.035 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC000274930359 130275446 /nfs/dbraw/zinc/27/54/46/130275446.db2.gz OVNRGLGRNRJOAI-ZETCQYMHSA-N -1 0 307.280 -0.820 20 0 DBADRM Cc1ccc(CS(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1F ZINC000274955145 130276857 /nfs/dbraw/zinc/27/68/57/130276857.db2.gz UCHNMMMDZWOTGJ-JTQLQIEISA-N -1 0 318.326 -0.118 20 0 DBADRM COc1cc(OC)cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1 ZINC000274964344 130277754 /nfs/dbraw/zinc/27/77/54/130277754.db2.gz VKGQEDSYUWWULA-LLVKDONJSA-N -1 0 319.335 -0.182 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])sc1C ZINC000274979130 130278396 /nfs/dbraw/zinc/27/83/96/130278396.db2.gz XKINOHJVXKBJQI-ZETCQYMHSA-N -1 0 306.365 -0.028 20 0 DBADRM COCCS(=O)(=O)N[C@H](C(=O)[O-])c1c(C)nn(C)c1C ZINC000275014127 130282070 /nfs/dbraw/zinc/28/20/70/130282070.db2.gz CFWXJPKGLLIIJQ-JTQLQIEISA-N -1 0 305.356 -0.272 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1cnn(CCOC)c1)C(=O)[O-] ZINC000275014034 130282489 /nfs/dbraw/zinc/28/24/89/130282489.db2.gz CFEOSGDHXNCQRF-SNVBAGLBSA-N -1 0 321.355 -0.703 20 0 DBADRM COCCc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000275037003 130284388 /nfs/dbraw/zinc/28/43/88/130284388.db2.gz GLVBEZZLUMCBQM-NSHDSACASA-N -1 0 303.336 -0.401 20 0 DBADRM Cc1nc(C)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])s1 ZINC000275035143 130284532 /nfs/dbraw/zinc/28/45/32/130284532.db2.gz GDDWCFTVRCVYIF-ZCFIWIBFSA-N -1 0 307.353 -0.633 20 0 DBADRM COCCN(C)S(=O)(=O)NCc1nc(C(=O)[O-])cs1 ZINC000275052436 130287628 /nfs/dbraw/zinc/28/76/28/130287628.db2.gz XLUQJIKWOLKRQU-UHFFFAOYSA-N -1 0 309.369 -0.246 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)cn1 ZINC000275077522 130289866 /nfs/dbraw/zinc/28/98/66/130289866.db2.gz XXMLCBNAHMKLOD-VHSXEESVSA-N -1 0 315.351 -0.163 20 0 DBADRM COCCc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc1 ZINC000275068109 130290413 /nfs/dbraw/zinc/29/04/13/130290413.db2.gz KTERSGZUHKLLCA-GFCCVEGCSA-N -1 0 317.363 -0.011 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](CC)C(=O)[O-] ZINC000275102402 130291184 /nfs/dbraw/zinc/29/11/84/130291184.db2.gz QUYVCMGZXMTDDA-ZETCQYMHSA-N -1 0 305.312 -0.272 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CCN(c2ccccn2)C1 ZINC000275103590 130291522 /nfs/dbraw/zinc/29/15/22/130291522.db2.gz JFMZJTCSONUJFP-VIFPVBQESA-N -1 0 320.378 -0.020 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000275135355 130293515 /nfs/dbraw/zinc/29/35/15/130293515.db2.gz VZSDWGSWQJAEIQ-VXNVDRBHSA-N -1 0 319.339 -0.866 20 0 DBADRM COC(=O)CCN(C(=O)CSc1n[nH]c(=O)[n-]1)C(C)C ZINC000275179979 130297454 /nfs/dbraw/zinc/29/74/54/130297454.db2.gz XVEWAUSYWRNLHE-UHFFFAOYSA-N -1 0 302.356 -0.010 20 0 DBADRM COC(=O)c1ccccc1CS(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000275201848 130298479 /nfs/dbraw/zinc/29/84/79/130298479.db2.gz GTRFYYVPQJDXTK-JTQLQIEISA-N -1 0 317.319 -0.662 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1cnn(C(C)C)c1)C(=O)[O-] ZINC000275298610 130302477 /nfs/dbraw/zinc/30/24/77/130302477.db2.gz QGGNFZXWTMXRMY-VIFPVBQESA-N -1 0 319.339 -0.241 20 0 DBADRM COc1ccsc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000275346436 130307635 /nfs/dbraw/zinc/30/76/35/130307635.db2.gz SJRRBCXFVNRCOF-RNFRBKRXSA-N -1 0 307.349 -0.035 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)[N-]N2CCCNC2=O)c1 ZINC000275942729 130414407 /nfs/dbraw/zinc/41/44/07/130414407.db2.gz XVQYBBXJHYZUGS-UHFFFAOYSA-N -1 0 303.296 -0.325 20 0 DBADRM COc1cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])ccc1F ZINC000276154296 130447204 /nfs/dbraw/zinc/44/72/04/130447204.db2.gz CJKNEKASYJXIOS-VIFPVBQESA-N -1 0 307.299 -0.052 20 0 DBADRM O=C(CN1CC(=O)NC1=O)N1C[C@H](CO)Cc2ccccc21 ZINC000646530306 391908561 /nfs/dbraw/zinc/90/85/61/391908561.db2.gz DGGRCXCLCVUSFY-SNVBAGLBSA-N -1 0 303.318 -0.264 20 0 DBADRM CC[C@@](C)(NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400140668 391986619 /nfs/dbraw/zinc/98/66/19/391986619.db2.gz WMPDHMZZKDXHTI-BXKDBHETSA-N -1 0 321.399 -0.037 20 0 DBADRM Cc1cc(C(=O)NC2COCCOC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000646806598 391943339 /nfs/dbraw/zinc/94/33/39/391943339.db2.gz OJRKGFRUIPEJCF-UHFFFAOYSA-N -1 0 320.305 -0.110 20 0 DBADRM CC(C)(CNC(=O)CSc1n[nH]c(=O)[n-]1)[C@@]1(O)CCOC1 ZINC000649087767 392011693 /nfs/dbraw/zinc/01/16/93/392011693.db2.gz FCINXBSHGWFUMW-GFCCVEGCSA-N -1 0 316.383 -0.104 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000649457205 392072937 /nfs/dbraw/zinc/07/29/37/392072937.db2.gz RVZHSKWPJMRJHQ-GHMZBOCLSA-N -1 0 322.321 -0.599 20 0 DBADRM CC(C)OCCOC[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000649456964 392073223 /nfs/dbraw/zinc/07/32/23/392073223.db2.gz WNPXZORQHJNCCM-IJLUTSLNSA-N -1 0 303.355 -0.032 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000649453140 392073432 /nfs/dbraw/zinc/07/34/32/392073432.db2.gz DFCILTLRIPVOCB-ZYUZMQFOSA-N -1 0 304.368 -0.459 20 0 DBADRM NC(=O)NC[C@@H]1CCCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC000649459231 392073941 /nfs/dbraw/zinc/07/39/41/392073941.db2.gz SINKEWFJNBVTPH-QMMMGPOBSA-N -1 0 307.310 -0.162 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N=c1ccn(CC(=O)N2CCOCC2)[nH]1 ZINC000649461403 392075052 /nfs/dbraw/zinc/07/50/52/392075052.db2.gz YUFSSZVHQGJGSZ-UHFFFAOYSA-N -1 0 324.337 -0.787 20 0 DBADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000649244057 392023231 /nfs/dbraw/zinc/02/32/31/392023231.db2.gz JGPWXKXMTVXKAO-JTQLQIEISA-N -1 0 306.384 -0.020 20 0 DBADRM CN1CC[C@H](C(=O)NCc2nc(C(=O)[O-])cs2)S1(=O)=O ZINC000649245353 392023387 /nfs/dbraw/zinc/02/33/87/392023387.db2.gz DLTCOQKNUAAGNE-SSDOTTSWSA-N -1 0 319.364 -0.509 20 0 DBADRM CN1CC[C@@H](C(=O)N(CCC(=O)[O-])CC2CC2)S1(=O)=O ZINC000649244299 392023391 /nfs/dbraw/zinc/02/33/91/392023391.db2.gz YNNKZXZOOGWLKC-JTQLQIEISA-N -1 0 304.368 -0.266 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])S1(=O)=O ZINC000649249855 392023435 /nfs/dbraw/zinc/02/34/35/392023435.db2.gz SBAZGNVAIZUEIB-RITPCOANSA-N -1 0 318.273 -0.458 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCCC[C@H]2CC(=O)[O-])S1(=O)=O ZINC000649247790 392023459 /nfs/dbraw/zinc/02/34/59/392023459.db2.gz LIMAUBAJCGJEDH-UWVGGRQHSA-N -1 0 304.368 -0.124 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])S1(=O)=O ZINC000649249856 392023470 /nfs/dbraw/zinc/02/34/70/392023470.db2.gz SBAZGNVAIZUEIB-WDSKDSINSA-N -1 0 318.273 -0.458 20 0 DBADRM CN1CC[C@@H](C(=O)NCC2(C(=O)[O-])CCCC2)S1(=O)=O ZINC000649245672 392023532 /nfs/dbraw/zinc/02/35/32/392023532.db2.gz PWPKTQUUHAPQFV-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000649250233 392024249 /nfs/dbraw/zinc/02/42/49/392024249.db2.gz VFCNWAVTYZTVGF-GXFFZTMASA-N -1 0 318.395 -0.020 20 0 DBADRM CC[C@@H](CNC(=O)CNS(=O)(=O)CCOC(C)C)C(=O)[O-] ZINC000649263365 392024342 /nfs/dbraw/zinc/02/43/42/392024342.db2.gz ZWYJWFOSYQNZHY-JTQLQIEISA-N -1 0 324.399 -0.442 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000649257682 392024459 /nfs/dbraw/zinc/02/44/59/392024459.db2.gz UHMKOVMEGGWLKC-MNOVXSKESA-N -1 0 318.395 -0.019 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000649252028 392025399 /nfs/dbraw/zinc/02/53/99/392025399.db2.gz SJXFHCRQRLSADD-BXKDBHETSA-N -1 0 306.384 -0.163 20 0 DBADRM COc1nc(N2CC[C@@H](NS(C)(=O)=O)C2)ccc1C(=O)[O-] ZINC000649390994 392062365 /nfs/dbraw/zinc/06/23/65/392062365.db2.gz HRJYHEBUETXMCC-MRVPVSSYSA-N -1 0 315.351 -0.084 20 0 DBADRM CS(=O)(=O)N1CCCN(c2ncncc2C(=O)[O-])CC1 ZINC000649384304 392063120 /nfs/dbraw/zinc/06/31/20/392063120.db2.gz AROPJTGIQSXBFA-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM Cn1c(N2CCC[C@@H](C(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000649399836 392064907 /nfs/dbraw/zinc/06/49/07/392064907.db2.gz SGJMJPOFBYHUCY-SSDOTTSWSA-N -1 0 307.310 -0.326 20 0 DBADRM COC[C@@H](NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C1CC1 ZINC000424404450 392141007 /nfs/dbraw/zinc/14/10/07/392141007.db2.gz GLIPHXMNHBMDFW-ZJUUUORDSA-N -1 0 320.367 -0.695 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c[nH]1 ZINC000554539099 392095816 /nfs/dbraw/zinc/09/58/16/392095816.db2.gz GNGXUAGJKXUJBA-RCOVLWMOSA-N -1 0 318.307 -0.990 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)CCNS(C)(=O)=O)s[n-]1 ZINC000555317913 392105734 /nfs/dbraw/zinc/10/57/34/392105734.db2.gz ZSMOBOIXKBYLBH-ZCFIWIBFSA-N -1 0 308.385 -0.455 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1nnn[n-]1 ZINC000555525871 392108340 /nfs/dbraw/zinc/10/83/40/392108340.db2.gz QDHUBNHKTGZNIY-AEJSXWLSSA-N -1 0 310.358 -0.603 20 0 DBADRM CC[C@@H](NC(=O)CCNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000555637256 392109615 /nfs/dbraw/zinc/10/96/15/392109615.db2.gz GHYDXYYQODYYDY-SNVBAGLBSA-N -1 0 315.351 -0.271 20 0 DBADRM COCC(COC)NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000384154341 392119271 /nfs/dbraw/zinc/11/92/71/392119271.db2.gz HYGHXHMZOMQSHU-CYBMUJFWSA-N -1 0 304.343 -0.220 20 0 DBADRM O=C([O-])C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000274162223 392122598 /nfs/dbraw/zinc/12/25/98/392122598.db2.gz KZWBIDYEKJGFDR-UHFFFAOYSA-N -1 0 309.297 -0.007 20 0 DBADRM COc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1F ZINC000275360807 392122957 /nfs/dbraw/zinc/12/29/57/392122957.db2.gz UYWUXWIJHIDDCK-UHFFFAOYSA-N -1 0 307.299 -0.098 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000275364259 392123058 /nfs/dbraw/zinc/12/30/58/392123058.db2.gz VKLJASNHTTXTIN-UHFFFAOYSA-N -1 0 317.319 -0.475 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C(=O)[O-] ZINC000581370490 392130155 /nfs/dbraw/zinc/13/01/55/392130155.db2.gz XCTRXTZWWBTXQW-IVZWLZJFSA-N -1 0 317.367 -0.020 20 0 DBADRM Cn1ccc(S(=O)(=O)[N-]c2ccccc2S(N)(=O)=O)n1 ZINC000340079860 130844949 /nfs/dbraw/zinc/84/49/49/130844949.db2.gz VEXXDYVLTGNQSO-UHFFFAOYSA-N -1 0 316.364 -0.132 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)c2cnn3c2OCCC3)CCOC1 ZINC000583932958 392351785 /nfs/dbraw/zinc/35/17/85/392351785.db2.gz RTVSFVGARGIRIA-LLVKDONJSA-N -1 0 317.323 -0.812 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1ccnn1C)[C@H](C)C(=O)[O-] ZINC000583934720 392352593 /nfs/dbraw/zinc/35/25/93/392352593.db2.gz SCXJVZNZPWRKRE-SNVBAGLBSA-N -1 0 310.354 -0.210 20 0 DBADRM CC(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000035133941 392352862 /nfs/dbraw/zinc/35/28/62/392352862.db2.gz QJECEEJSTQTDFO-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)[C@@H](C)C(=O)NC2CC2)[n-]1 ZINC000285117563 131139693 /nfs/dbraw/zinc/13/96/93/131139693.db2.gz NGWDMQUASYVMMX-LURJTMIESA-N -1 0 301.324 -0.363 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@H](C)CC(=O)[O-])CC1 ZINC000037465488 392376014 /nfs/dbraw/zinc/37/60/14/392376014.db2.gz IIOPNJFOOBAFAH-SECBINFHSA-N -1 0 322.383 -0.041 20 0 DBADRM COc1cc(F)c(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1OC ZINC000036969030 392368692 /nfs/dbraw/zinc/36/86/92/392368692.db2.gz ZDFBXKAMUISOFL-SSDOTTSWSA-N -1 0 323.298 -0.433 20 0 DBADRM Cn1cc(S(=O)(=O)NC2(C(=O)[O-])CCCC2)cc1C(N)=O ZINC000036983559 392370426 /nfs/dbraw/zinc/37/04/26/392370426.db2.gz QIDOIEVLTVDDTF-UHFFFAOYSA-N -1 0 315.351 -0.200 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cn1C ZINC000037418949 392373426 /nfs/dbraw/zinc/37/34/26/392373426.db2.gz RHEMQHNACJSYSE-JTQLQIEISA-N -1 0 317.367 -0.228 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(OC)c1 ZINC000037406701 392373448 /nfs/dbraw/zinc/37/34/48/392373448.db2.gz QEEDHRITXMDRAL-MRVPVSSYSA-N -1 0 305.308 -0.572 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000037406229 392373751 /nfs/dbraw/zinc/37/37/51/392373751.db2.gz HUDUNMLOJMNVSK-SECBINFHSA-N -1 0 322.289 -0.038 20 0 DBADRM Cc1ccc(F)cc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000037377021 392373768 /nfs/dbraw/zinc/37/37/68/392373768.db2.gz KVQBPTQVDSGJFC-MRVPVSSYSA-N -1 0 304.299 -0.259 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000037406706 392373857 /nfs/dbraw/zinc/37/38/57/392373857.db2.gz GUCXGHOENLZYEC-VIFPVBQESA-N -1 0 317.319 -0.428 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1F ZINC000037462741 392374052 /nfs/dbraw/zinc/37/40/52/392374052.db2.gz KNTTUNVBNMEODT-VIFPVBQESA-N -1 0 304.299 -0.259 20 0 DBADRM COC(=O)C(C)(C)CCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000286462503 131236822 /nfs/dbraw/zinc/23/68/22/131236822.db2.gz ORMWMUGNMLVXGT-UHFFFAOYSA-N -1 0 302.356 -0.104 20 0 DBADRM CC(=O)NCCCNS(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000286660937 131245508 /nfs/dbraw/zinc/24/55/08/131245508.db2.gz OZDJLAGLCKXIHH-UHFFFAOYSA-N -1 0 320.396 -0.094 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)[O-] ZINC000287246885 131270799 /nfs/dbraw/zinc/27/07/99/131270799.db2.gz PDNBSNJPRLPOGG-QMMMGPOBSA-N -1 0 319.339 -0.587 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)o1 ZINC000287314157 131274504 /nfs/dbraw/zinc/27/45/04/131274504.db2.gz FCYFTNUTEORLBH-LURJTMIESA-N -1 0 309.271 -0.144 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N(C)CCC(=O)[O-])cn1C ZINC000037932299 392379189 /nfs/dbraw/zinc/37/91/89/392379189.db2.gz BYFASNWMWDCWGX-UHFFFAOYSA-N -1 0 303.340 -0.520 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-] ZINC000287724774 131296813 /nfs/dbraw/zinc/29/68/13/131296813.db2.gz YVXHOSMZGIBYJP-VIFPVBQESA-N -1 0 323.367 -0.073 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N=c2ncn(C)[n-]2)CC2(CCCC2)O1 ZINC000646944705 392388232 /nfs/dbraw/zinc/38/82/32/392388232.db2.gz LIIMHAGVVCBHHG-JTQLQIEISA-N -1 0 307.354 -0.264 20 0 DBADRM C[C@@H]1CC[C@@H](O)CN1C(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000646964261 392391951 /nfs/dbraw/zinc/39/19/51/392391951.db2.gz UYNDASBXRYSFER-NXEZZACHSA-N -1 0 309.370 -0.235 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]N2C(=O)N[C@](C)(CC)C2=O)cn1 ZINC000289067152 131356012 /nfs/dbraw/zinc/35/60/12/131356012.db2.gz FKQXOMJRIOAFSN-LLVKDONJSA-N -1 0 315.355 -0.183 20 0 DBADRM CC(C)Oc1ccc(=NC(=O)C(=O)N2C[C@@H](O)CC[C@@H]2C)[n-]n1 ZINC000646964852 392393022 /nfs/dbraw/zinc/39/30/22/392393022.db2.gz YMYSDTGWDYJNKN-QWRGUYRKSA-N -1 0 322.365 -0.004 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000033455881 392411611 /nfs/dbraw/zinc/41/16/11/392411611.db2.gz FAKCTSZMPPIORI-NSHDSACASA-N -1 0 315.370 -0.366 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000647116775 392421814 /nfs/dbraw/zinc/42/18/14/392421814.db2.gz CRELNDPUKSIIFD-NWDGAFQWSA-N -1 0 311.382 -0.377 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)N2CCOCC2)CCC1(F)F ZINC000556777571 392427505 /nfs/dbraw/zinc/42/75/05/392427505.db2.gz JPQSSQSIZAYGMA-MRVPVSSYSA-N -1 0 314.310 -0.395 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000556773766 392427651 /nfs/dbraw/zinc/42/76/51/392427651.db2.gz QFIZDKLDGDYNKU-SECBINFHSA-N -1 0 313.339 -0.434 20 0 DBADRM CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@@H]1COC[C@H]1O ZINC000556831669 392428967 /nfs/dbraw/zinc/42/89/67/392428967.db2.gz KBNFRKYKIZZCRG-GHMZBOCLSA-N -1 0 311.363 -0.300 20 0 DBADRM NS(=O)(=O)Cc1cccc(CNC(=O)CCC(=O)[O-])c1 ZINC000647131094 392434253 /nfs/dbraw/zinc/43/42/53/392434253.db2.gz OMOKBPMGVIHRCS-UHFFFAOYSA-N -1 0 300.336 -0.044 20 0 DBADRM C[C@H]1CN(c2ccc(C(=O)[O-])nn2)CCN1S(C)(=O)=O ZINC000583443366 392533651 /nfs/dbraw/zinc/53/36/51/392533651.db2.gz KGSQHSFPTLVVMZ-QMMMGPOBSA-N -1 0 300.340 -0.355 20 0 DBADRM COCCN(CCOC)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000402770478 392476318 /nfs/dbraw/zinc/47/63/18/392476318.db2.gz MVDFRELTUIJWSJ-NSHDSACASA-N -1 0 314.342 -0.150 20 0 DBADRM CC(C)(CNC(=O)c1c[n-]n2c1nccc2=O)N1CCOCC1 ZINC000559262094 392481429 /nfs/dbraw/zinc/48/14/29/392481429.db2.gz PTOCUEGWUWKTGI-UHFFFAOYSA-N -1 0 319.365 -0.137 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000129472835 392482877 /nfs/dbraw/zinc/48/28/77/392482877.db2.gz LMLUSZVOEFRHFS-VIFPVBQESA-N -1 0 303.340 -0.109 20 0 DBADRM CC(C)(C(=O)N1CCO[C@H](C(=O)[O-])C1)S(=O)(=O)C1CC1 ZINC000647219427 392484407 /nfs/dbraw/zinc/48/44/07/392484407.db2.gz BQJMPFMFLQWOPE-VIFPVBQESA-N -1 0 305.352 -0.346 20 0 DBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000647219408 392484667 /nfs/dbraw/zinc/48/46/67/392484667.db2.gz BCQONOMFYVEHCZ-SNVBAGLBSA-N -1 0 319.321 -0.160 20 0 DBADRM O=C([O-])Cc1ccccc1CNS(=O)(=O)N1CCOCC1 ZINC000133039569 392486214 /nfs/dbraw/zinc/48/62/14/392486214.db2.gz KIGALZJICKVXHO-UHFFFAOYSA-N -1 0 314.363 -0.020 20 0 DBADRM NC(=O)N[C@@H]1CCN(C(=O)CNC(=O)c2cccc(O)c2)C1 ZINC000427530372 392542417 /nfs/dbraw/zinc/54/24/17/392542417.db2.gz IEIHQMSMBNIWMU-SNVBAGLBSA-N -1 0 306.322 -0.609 20 0 DBADRM CCCC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000370863456 392508953 /nfs/dbraw/zinc/50/89/53/392508953.db2.gz WBDXZADANIIFTC-GHMZBOCLSA-N -1 0 322.369 -0.109 20 0 DBADRM O=C(Nc1ccccc1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000370863454 392509892 /nfs/dbraw/zinc/50/98/92/392509892.db2.gz WASSVAREJXYZPG-JTQLQIEISA-N -1 0 302.294 -0.262 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1C ZINC000559915914 392512709 /nfs/dbraw/zinc/51/27/09/392512709.db2.gz AFPTYTZRJHHWBY-SNVBAGLBSA-N -1 0 317.367 -0.006 20 0 DBADRM CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000647256254 392516721 /nfs/dbraw/zinc/51/67/21/392516721.db2.gz KQTLCIYJDHGXKZ-APPZFPTMSA-N -1 0 318.355 -0.934 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000427716695 392552313 /nfs/dbraw/zinc/55/23/13/392552313.db2.gz ACOSJHVUKGONMK-UHFFFAOYSA-N -1 0 318.355 -0.978 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000427731992 392552948 /nfs/dbraw/zinc/55/29/48/392552948.db2.gz SRDGBJWFUMWHTF-HTQZYQBOSA-N -1 0 318.355 -0.934 20 0 DBADRM CO[C@H](CNC(=O)[C@H](C)NC(=O)COc1ccccc1)C(=O)[O-] ZINC000427803804 392556545 /nfs/dbraw/zinc/55/65/45/392556545.db2.gz YZNUQKFUYXZVKL-CMPLNLGQSA-N -1 0 324.333 -0.214 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262780646 392570683 /nfs/dbraw/zinc/57/06/83/392570683.db2.gz OCQFZBXKAHASMZ-DTWKUNHWSA-N -1 0 322.383 -0.738 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000168824293 392570890 /nfs/dbraw/zinc/57/08/90/392570890.db2.gz KTUFIEFCOQSOCW-QMMMGPOBSA-N -1 0 305.312 -0.895 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc2nnnn2c1 ZINC000643851296 392574268 /nfs/dbraw/zinc/57/42/68/392574268.db2.gz HVAFQAQSIIQOFI-CYBMUJFWSA-N -1 0 305.294 -0.170 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cnn3ccccc23)CCS1(=O)=O ZINC000643869718 392581286 /nfs/dbraw/zinc/58/12/86/392581286.db2.gz KBPZKNWLMOJNEO-LLVKDONJSA-N -1 0 323.330 -0.342 20 0 DBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2cnn(C)c2C)n1 ZINC000291811860 131601599 /nfs/dbraw/zinc/60/15/99/131601599.db2.gz BPEOEGBETDCRRB-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cnn(C)c2)C[C@@H]1C(=O)[O-] ZINC000647500820 392616785 /nfs/dbraw/zinc/61/67/85/392616785.db2.gz LKQNFRWDZOWFCP-PWSUYJOCSA-N -1 0 322.365 -0.052 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC000647446179 392590257 /nfs/dbraw/zinc/59/02/57/392590257.db2.gz FAVBTQZIUZKZAR-UHFFFAOYSA-N -1 0 320.349 -0.047 20 0 DBADRM C[C@@H](O)CNc1cc(NCC2(C(=O)[O-])CCOCC2)ncn1 ZINC000647457847 392590303 /nfs/dbraw/zinc/59/03/03/392590303.db2.gz CHEXJXOJTWDBFN-SNVBAGLBSA-N -1 0 310.354 -0.016 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@H]2CCCNC2=O)c1 ZINC000647482371 392593106 /nfs/dbraw/zinc/59/31/06/392593106.db2.gz WEGDAZOZNJSZBU-SNVBAGLBSA-N -1 0 319.317 -0.034 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000647487548 392596319 /nfs/dbraw/zinc/59/63/19/392596319.db2.gz BFPUUSUFUIZTRI-GHMZBOCLSA-N -1 0 308.290 -0.147 20 0 DBADRM CN(C)c1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)ncn1 ZINC000647491525 392597766 /nfs/dbraw/zinc/59/77/66/392597766.db2.gz YNUUMWBKGNEPPH-DTWKUNHWSA-N -1 0 321.337 -0.149 20 0 DBADRM COc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)ncn1 ZINC000647491165 392597959 /nfs/dbraw/zinc/59/79/59/392597959.db2.gz FILFIZFADURYMK-JGVFFNPUSA-N -1 0 308.294 -0.207 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C[C@@H]1CCOC1 ZINC000643972044 392603143 /nfs/dbraw/zinc/60/31/43/392603143.db2.gz JDYRLCMNGFPAJC-PWSUYJOCSA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCC(=O)N2CCOCC2)cn1 ZINC000317557440 392611091 /nfs/dbraw/zinc/61/10/91/392611091.db2.gz MYURXNRUVFIUDY-UHFFFAOYSA-N -1 0 307.306 -0.242 20 0 DBADRM Cc1ccc(CC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cn1 ZINC000424240709 392665666 /nfs/dbraw/zinc/66/56/66/392665666.db2.gz KPFYFFSLHAVKON-LLVKDONJSA-N -1 0 312.347 -0.357 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1cccnc1 ZINC000424248643 392666824 /nfs/dbraw/zinc/66/68/24/392666824.db2.gz SIDFWNLIGXNDQS-GXSJLCMTSA-N -1 0 312.347 -0.105 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccccn1 ZINC000424243891 392666885 /nfs/dbraw/zinc/66/68/85/392666885.db2.gz NPJPLLAAFQJOPM-ONGXEEELSA-N -1 0 312.347 -0.105 20 0 DBADRM CCCCO[C@@H](C)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424248727 392667229 /nfs/dbraw/zinc/66/72/29/392667229.db2.gz SMCXVPLKHFUERO-VHSXEESVSA-N -1 0 307.368 -0.098 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CCc2ccco2)CCS1(=O)=O ZINC000424245588 392667274 /nfs/dbraw/zinc/66/72/74/392667274.db2.gz PGUMVFIUCUYBIL-SNVBAGLBSA-N -1 0 301.320 -0.078 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)COCC(F)(F)F)CCS1(=O)=O ZINC000424243533 392667395 /nfs/dbraw/zinc/66/73/95/392667395.db2.gz NDPGSUVBSOAROJ-ZCFIWIBFSA-N -1 0 319.257 -0.725 20 0 DBADRM CC(C)COCCC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424253696 392667562 /nfs/dbraw/zinc/66/75/62/392667562.db2.gz XYHIFLCOHDXQRN-JTQLQIEISA-N -1 0 307.368 -0.241 20 0 DBADRM Cc1ncc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cn1 ZINC000424386325 392668453 /nfs/dbraw/zinc/66/84/53/392668453.db2.gz VHLCEDMFNFCHTK-VIFPVBQESA-N -1 0 314.323 -0.499 20 0 DBADRM Cc1cnccc1NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424377000 392668462 /nfs/dbraw/zinc/66/84/62/392668462.db2.gz DACKUCGRJLLENU-SNVBAGLBSA-N -1 0 313.335 -0.473 20 0 DBADRM Cc1cnccc1NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424376997 392668737 /nfs/dbraw/zinc/66/87/37/392668737.db2.gz DACKUCGRJLLENU-JTQLQIEISA-N -1 0 313.335 -0.473 20 0 DBADRM CCCCOCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424396322 392668751 /nfs/dbraw/zinc/66/87/51/392668751.db2.gz QHQSKLORMILHCN-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)CCCCF)CCS1(=O)=O ZINC000424370216 392668927 /nfs/dbraw/zinc/66/89/27/392668927.db2.gz SKIRCWRDAXDPEU-QMMMGPOBSA-N -1 0 317.360 -0.751 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2ccoc2)CCS1(=O)=O ZINC000424399032 392669028 /nfs/dbraw/zinc/66/90/28/392669028.db2.gz WJLQZFKXARPGHV-VIFPVBQESA-N -1 0 302.308 -0.327 20 0 DBADRM CO[C@H](CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(C)C ZINC000424407549 392670122 /nfs/dbraw/zinc/67/01/22/392670122.db2.gz KJEVRVJJOVECCD-ZJUUUORDSA-N -1 0 322.383 -0.449 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2CC=CCC2)CCS1(=O)=O ZINC000424420206 392670132 /nfs/dbraw/zinc/67/01/32/392670132.db2.gz ZGNPVHXVEFPQEV-NXEZZACHSA-N -1 0 302.352 -0.012 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2CCSC2)CCS1(=O)=O ZINC000424413060 392670492 /nfs/dbraw/zinc/67/04/92/392670492.db2.gz QXIGPKJUCFDDBT-HTQZYQBOSA-N -1 0 308.381 -0.615 20 0 DBADRM C[C@]1(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCCO1 ZINC000424401518 392670771 /nfs/dbraw/zinc/67/07/71/392670771.db2.gz BUYRYVZVWRVJHD-JOYOIKCWSA-N -1 0 320.367 -0.551 20 0 DBADRM CCOc1cc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)ncn1 ZINC000424481316 392670838 /nfs/dbraw/zinc/67/08/38/392670838.db2.gz ZNXPYJQIPPOQHM-MRVPVSSYSA-N -1 0 301.324 -0.437 20 0 DBADRM CO[C@@H]1CC[C@@H](NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424453057 392671741 /nfs/dbraw/zinc/67/17/41/392671741.db2.gz RATUGIMKQWWEBT-BBBLOLIVSA-N -1 0 320.367 -0.553 20 0 DBADRM CSc1cncc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424467150 392671956 /nfs/dbraw/zinc/67/19/56/392671956.db2.gz HRDKXGGYCBPLLF-SSDOTTSWSA-N -1 0 303.365 -0.114 20 0 DBADRM CN(C)c1nccc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424468068 392672177 /nfs/dbraw/zinc/67/21/77/392672177.db2.gz IJTYJSDFLXVLTJ-QMMMGPOBSA-N -1 0 300.340 -0.769 20 0 DBADRM Nc1ccc2c(ncnc2N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424463948 392672407 /nfs/dbraw/zinc/67/24/07/392672407.db2.gz DFECTTCOSKOXCS-QMMMGPOBSA-N -1 0 323.334 -0.875 20 0 DBADRM O=C([O-])[C@H]1CN(c2cncc(-n3cccn3)n2)CCS1(=O)=O ZINC000424468629 392672514 /nfs/dbraw/zinc/67/25/14/392672514.db2.gz JVQQYXVEIBLRSS-SECBINFHSA-N -1 0 323.334 -0.650 20 0 DBADRM CCOC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424444006 392672704 /nfs/dbraw/zinc/67/27/04/392672704.db2.gz CDOUXVOWRQRFNB-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000491272836 392677042 /nfs/dbraw/zinc/67/70/42/392677042.db2.gz HBJNICLHQMQRPI-VIFPVBQESA-N -1 0 308.356 -0.252 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CN(C)C(=O)OC ZINC000491366673 392685749 /nfs/dbraw/zinc/68/57/49/392685749.db2.gz MKIWATGYARIWLV-UHFFFAOYSA-N -1 0 310.328 -0.916 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(C)(O)CC2)C[C@@H]1C(=O)[O-] ZINC000647503853 392622213 /nfs/dbraw/zinc/62/22/13/392622213.db2.gz OKXYIHICXBAMDL-MNOVXSKESA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)CCOCCO)C[C@@H]1C(=O)[O-] ZINC000647505256 392624264 /nfs/dbraw/zinc/62/42/64/392624264.db2.gz NMMLCCGMHFIJSG-QWRGUYRKSA-N -1 0 316.354 -0.977 20 0 DBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(F)c2)n1 ZINC000174011159 392626154 /nfs/dbraw/zinc/62/61/54/392626154.db2.gz MXFOKWQJQCWBDO-UHFFFAOYSA-N -1 0 313.314 -0.036 20 0 DBADRM CCc1nn(C)cc1CN1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000644182450 392632381 /nfs/dbraw/zinc/63/23/81/392632381.db2.gz FTODKZZMPMKMAC-JTQLQIEISA-N -1 0 306.326 -0.251 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000021504519 392634879 /nfs/dbraw/zinc/63/48/79/392634879.db2.gz INOGWWRVHXKELV-UHFFFAOYSA-N -1 0 315.351 -0.424 20 0 DBADRM COC[C@@H](C)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647577627 392645994 /nfs/dbraw/zinc/64/59/94/392645994.db2.gz LKOACOIXIDFBEM-SECBINFHSA-N -1 0 302.327 -0.865 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000647584585 392647749 /nfs/dbraw/zinc/64/77/49/392647749.db2.gz IZBSIBKJZKPVIR-UTLUCORTSA-N -1 0 323.349 -0.765 20 0 DBADRM COC[C@@H](C)CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647581869 392647757 /nfs/dbraw/zinc/64/77/57/392647757.db2.gz QZMHZZREHMUATQ-JTQLQIEISA-N -1 0 316.354 -0.617 20 0 DBADRM CCOCCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647579737 392647845 /nfs/dbraw/zinc/64/78/45/392647845.db2.gz JPOAYPUGBLWNBG-UHFFFAOYSA-N -1 0 302.327 -0.863 20 0 DBADRM COCC[C@H](C)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647582710 392648084 /nfs/dbraw/zinc/64/80/84/392648084.db2.gz OZLHGWGFEGNKOH-JTQLQIEISA-N -1 0 316.354 -0.475 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCCn2cncn2)C[C@@H]1C(=O)[O-] ZINC000647579596 392648260 /nfs/dbraw/zinc/64/82/60/392648260.db2.gz BZAOMJNYEISRQR-QWRGUYRKSA-N -1 0 323.353 -0.646 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)C(=O)N(C)C ZINC000647586373 392649225 /nfs/dbraw/zinc/64/92/25/392649225.db2.gz ZQPSDINMWWALBB-VIFPVBQESA-N -1 0 313.354 -0.707 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000647590291 392649273 /nfs/dbraw/zinc/64/92/73/392649273.db2.gz FZXVNZKBJWNQJZ-WDEREUQCSA-N -1 0 314.338 -0.626 20 0 DBADRM C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccn(C)n1 ZINC000647588732 392649284 /nfs/dbraw/zinc/64/92/84/392649284.db2.gz FYQIAAFQYALBFX-LPEHRKFASA-N -1 0 308.338 -0.033 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CO1 ZINC000647590297 392649477 /nfs/dbraw/zinc/64/94/77/392649477.db2.gz GFJKVLRQDUGRSH-UWVGGRQHSA-N -1 0 314.338 -0.722 20 0 DBADRM CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647591614 392651009 /nfs/dbraw/zinc/65/10/09/392651009.db2.gz FIUBUKZHGKGKRX-IRCOFANPSA-N -1 0 312.366 -0.025 20 0 DBADRM CC1(CO)CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000647592615 392651029 /nfs/dbraw/zinc/65/10/29/392651029.db2.gz KURMFVPKZNEXJA-WDEREUQCSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647592590 392651091 /nfs/dbraw/zinc/65/10/91/392651091.db2.gz KDIDBVXKXMSLTL-ATEUNZGCSA-N -1 0 311.338 -0.920 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCO1 ZINC000647590720 392651245 /nfs/dbraw/zinc/65/12/45/392651245.db2.gz AMMMHARBWQCVQD-HBNTYKKESA-N -1 0 314.338 -0.770 20 0 DBADRM CCN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cncn2C)C1 ZINC000647625666 392655803 /nfs/dbraw/zinc/65/58/03/392655803.db2.gz WFHIVNXFLOFGEQ-UWVGGRQHSA-N -1 0 316.383 -0.283 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOCC2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC000647617888 392656168 /nfs/dbraw/zinc/65/61/68/392656168.db2.gz YDDUPVILERZDIB-OPRDCNLKSA-N -1 0 308.356 -0.874 20 0 DBADRM CN(C)S(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000647623022 392657586 /nfs/dbraw/zinc/65/75/86/392657586.db2.gz KTWISXSZFNIJCE-QMMMGPOBSA-N -1 0 303.344 -0.580 20 0 DBADRM COC[C@@H](C)CS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000647642791 392663075 /nfs/dbraw/zinc/66/30/75/392663075.db2.gz KVDLGVDIRBAJGB-SCZZXKLOSA-N -1 0 305.356 -0.252 20 0 DBADRM C[C@H]1OCC[C@@H]1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647642498 392663370 /nfs/dbraw/zinc/66/33/70/392663370.db2.gz MAKDZAILYOZYHP-ZJUUUORDSA-N -1 0 307.368 -0.035 20 0 DBADRM CC[C@@H](CS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C)OC ZINC000647642826 392663903 /nfs/dbraw/zinc/66/39/03/392663903.db2.gz MTPCZDZPRVJXFD-WPRPVWTQSA-N -1 0 305.356 -0.110 20 0 DBADRM CO[C@H]1COC[C@H]1S(=O)(=O)N[C@@H]1CCn2ccnc2C1 ZINC000644250675 392704442 /nfs/dbraw/zinc/70/44/42/392704442.db2.gz DGTGFZBYIWPSLS-OUAUKWLOSA-N -1 0 301.368 -0.469 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1C(=O)[O-] ZINC000647747481 392838280 /nfs/dbraw/zinc/83/82/80/392838280.db2.gz KLFJPWAPMUWBCX-BBBLOLIVSA-N -1 0 304.368 -0.411 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000408307861 392838629 /nfs/dbraw/zinc/83/86/29/392838629.db2.gz GAXCWMGNLUQDQU-UHFFFAOYSA-N -1 0 317.367 -0.295 20 0 DBADRM CO[C@H](C)c1nsc(NC([O-])=C2CCN(C)S2(=O)=O)n1 ZINC000648383861 392796019 /nfs/dbraw/zinc/79/60/19/392796019.db2.gz LYERLQGLQDFZOJ-RQJHMYQMSA-N -1 0 320.396 -0.360 20 0 DBADRM C[C@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C[C@@H]1C(=O)[O-] ZINC000647752356 392841599 /nfs/dbraw/zinc/84/15/99/392841599.db2.gz FVKWASKDPUAKBH-UWVGGRQHSA-N -1 0 323.353 -0.451 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000390133590 392804494 /nfs/dbraw/zinc/80/44/94/392804494.db2.gz CJWZBTRIFBZDAB-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)c1ccc(OCC(N)=O)cc1 ZINC000647695485 392814275 /nfs/dbraw/zinc/81/42/75/392814275.db2.gz HYFDSDGPGHTBCE-UHFFFAOYSA-N -1 0 306.278 -0.089 20 0 DBADRM CNC(=O)Cn1[nH]c(=NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1C ZINC000647698679 392814418 /nfs/dbraw/zinc/81/44/18/392814418.db2.gz UNFHFYGTRSWDMF-VHSXEESVSA-N -1 0 323.353 -0.266 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000647695253 392814607 /nfs/dbraw/zinc/81/46/07/392814607.db2.gz BXTVZXALQASVMD-IUCAKERBSA-N -1 0 322.321 -0.091 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000647695252 392814717 /nfs/dbraw/zinc/81/47/17/392814717.db2.gz BXTVZXALQASVMD-DTORHVGOSA-N -1 0 322.321 -0.091 20 0 DBADRM COc1nccc(NC(=O)NCC2(C(=O)[O-])CCOCC2)n1 ZINC000647699909 392816047 /nfs/dbraw/zinc/81/60/47/392816047.db2.gz IGDUXKYHSQZKMM-UHFFFAOYSA-N -1 0 310.310 -0.090 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000647742730 392835960 /nfs/dbraw/zinc/83/59/60/392835960.db2.gz KBIPWIBDDVBKCO-JOYOIKCWSA-N -1 0 320.367 -0.888 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)n1 ZINC000647784245 392888437 /nfs/dbraw/zinc/88/84/37/392888437.db2.gz NCILSZFRDPKEAK-VIFPVBQESA-N -1 0 307.310 -0.298 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N[C@](C)(COC)C(=O)[O-] ZINC000262152434 392901172 /nfs/dbraw/zinc/90/11/72/392901172.db2.gz UCPOSWXYTHHGKZ-QPUJVOFHSA-N -1 0 304.368 -0.096 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N(CCOC)CC(=O)[O-] ZINC000262376428 392848826 /nfs/dbraw/zinc/84/88/26/392848826.db2.gz GFUOFDMIULYLKE-SECBINFHSA-N -1 0 304.368 -0.143 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cccc(-n2cnnn2)c1 ZINC000262417393 392850098 /nfs/dbraw/zinc/85/00/98/392850098.db2.gz MMQDTDWVAIJLOE-UHFFFAOYSA-N -1 0 305.294 -0.165 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000571001778 392856458 /nfs/dbraw/zinc/85/64/58/392856458.db2.gz LWRAILUKIAUXNX-MRVPVSSYSA-N -1 0 303.344 -0.705 20 0 DBADRM Cc1nc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)c(=O)[nH]c1C ZINC000647769353 392859435 /nfs/dbraw/zinc/85/94/35/392859435.db2.gz UAXZMHCAFNBKOT-VIFPVBQESA-N -1 0 305.294 -0.324 20 0 DBADRM COC(=O)CCCO[N-]C(=O)C(F)(F)C(=O)N1CCOCC1 ZINC000296619878 131976745 /nfs/dbraw/zinc/97/67/45/131976745.db2.gz PZXGMKUYWIVWLC-UHFFFAOYSA-N -1 0 324.280 -0.519 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000647780725 392875662 /nfs/dbraw/zinc/87/56/62/392875662.db2.gz LFMLUTPFEYDBNM-ZETCQYMHSA-N -1 0 313.339 -0.387 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000273475055 392937550 /nfs/dbraw/zinc/93/75/50/392937550.db2.gz JHTSDYDZCUWDOZ-ZETCQYMHSA-N -1 0 322.277 -0.992 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cccc2nonc21 ZINC000270428900 392928485 /nfs/dbraw/zinc/92/84/85/392928485.db2.gz HKXCFHJAZHGGSQ-UHFFFAOYSA-N -1 0 315.307 -0.056 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NS(=O)(=O)[C@H]1CCOC1 ZINC000647928465 392937256 /nfs/dbraw/zinc/93/72/56/392937256.db2.gz MSPJZWCVIQJCKQ-QWRGUYRKSA-N -1 0 300.336 -0.214 20 0 DBADRM NS(=O)(=O)N1CCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000228852287 392932638 /nfs/dbraw/zinc/93/26/38/392932638.db2.gz CTCCSHIRFFCTPQ-UHFFFAOYSA-N -1 0 303.315 -0.507 20 0 DBADRM COc1ccc(-c2nnn(Cc3nc(=O)[n-][nH]3)n2)cc1OC ZINC000273465220 392937471 /nfs/dbraw/zinc/93/74/71/392937471.db2.gz NOWGOHHSDWDKDP-UHFFFAOYSA-N -1 0 303.282 -0.183 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000274167300 392937606 /nfs/dbraw/zinc/93/76/06/392937606.db2.gz MESCWVCKXDIMQO-GFCCVEGCSA-N -1 0 308.334 -0.345 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCOCC1 ZINC000647928011 392938175 /nfs/dbraw/zinc/93/81/75/392938175.db2.gz CFZPLPJKVVFPDK-LLVKDONJSA-N -1 0 308.356 -0.871 20 0 DBADRM CCOC(=O)NCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000299288932 132097113 /nfs/dbraw/zinc/09/71/13/132097113.db2.gz OWRDZFNKUVXYLT-UHFFFAOYSA-N -1 0 323.356 -0.406 20 0 DBADRM NC(=O)C1CCN(c2ncccc2CNC(=O)C(=O)[O-])CC1 ZINC000274196968 392939134 /nfs/dbraw/zinc/93/91/34/392939134.db2.gz SIBOLFNEBHZVSF-UHFFFAOYSA-N -1 0 306.322 -0.516 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-] ZINC000274959237 392941258 /nfs/dbraw/zinc/94/12/58/392941258.db2.gz URXCTCCVPTXNGJ-DTWKUNHWSA-N -1 0 303.340 -0.157 20 0 DBADRM C[C@H](C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1)S(C)(=O)=O ZINC000532004175 392978222 /nfs/dbraw/zinc/97/82/22/392978222.db2.gz ZGGRMSAEUHUPPF-ZJUUUORDSA-N -1 0 307.368 -0.098 20 0 DBADRM CCS(=O)(=O)N1CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC000416411139 393005025 /nfs/dbraw/zinc/00/50/25/393005025.db2.gz YYHUUQHPHTWNBK-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](N=c2ncnc3[nH][nH]cc2-3)C1=O ZINC000416438214 393006149 /nfs/dbraw/zinc/00/61/49/393006149.db2.gz AHJJSXQTYUKSQA-VHSXEESVSA-N -1 0 318.337 -0.152 20 0 DBADRM O=C([O-])c1cccc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1 ZINC000416462835 393006867 /nfs/dbraw/zinc/00/68/67/393006867.db2.gz SRRPQEFCKNSPTC-UHFFFAOYSA-N -1 0 318.333 -0.293 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])C(N)=O ZINC000428076844 393034249 /nfs/dbraw/zinc/03/42/49/393034249.db2.gz NYRIHSSUAAYYEO-NWDGAFQWSA-N -1 0 321.333 -0.821 20 0 DBADRM COC[C@@H]1C[C@@H](OC)CN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000330597562 393036574 /nfs/dbraw/zinc/03/65/74/393036574.db2.gz VZROJMLXKQVCKG-JGVFFNPUSA-N -1 0 302.356 -0.135 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N2C[C@H](O)[C@@H](CO)C2)c1 ZINC000424885269 393052776 /nfs/dbraw/zinc/05/27/76/393052776.db2.gz CURITMKZQXESOJ-JGMWFTNYSA-N -1 0 313.375 -0.386 20 0 DBADRM CC1(C)[C@H](O)C[C@@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000190659162 393060376 /nfs/dbraw/zinc/06/03/76/393060376.db2.gz KPLKYUVHZLJNOM-DTWKUNHWSA-N -1 0 304.306 -0.499 20 0 DBADRM Cn1c2c(ccn2CC(=O)NCCCC(=O)[O-])c(=O)n(C)c1=O ZINC000428105921 393069899 /nfs/dbraw/zinc/06/98/99/393069899.db2.gz AWSJDBZGIOWHDP-UHFFFAOYSA-N -1 0 322.321 -0.980 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)NC2(c3nnn[n-]3)CC2)nn1 ZINC000348283488 393135635 /nfs/dbraw/zinc/13/56/35/393135635.db2.gz QFICYWLUVSYGSW-UHFFFAOYSA-N -1 0 318.341 -0.175 20 0 DBADRM O=C(Cc1ccc(-n2cnnn2)cc1)NC1(c2nnn[n-]2)CC1 ZINC000348298674 393140010 /nfs/dbraw/zinc/14/00/10/393140010.db2.gz SIWBCHOSMUORBX-UHFFFAOYSA-N -1 0 311.309 -0.477 20 0 DBADRM COC(=O)[C@@H](CF)[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000349875291 393220679 /nfs/dbraw/zinc/22/06/79/393220679.db2.gz GLFWAJURCNCHPI-ZCFIWIBFSA-N -1 0 311.253 -0.004 20 0 DBADRM O=c1[n-]c(S(=O)(=O)Cc2nnnn2-c2ccccc2)n[nH]1 ZINC000350183516 393232301 /nfs/dbraw/zinc/23/23/01/393232301.db2.gz HLUFZGSHUUDQKZ-UHFFFAOYSA-N -1 0 307.295 -0.540 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)CC(=O)N2CCCC2)[n-]1 ZINC000350145414 393232498 /nfs/dbraw/zinc/23/24/98/393232498.db2.gz IGUXXXGCLZQKPC-UHFFFAOYSA-N -1 0 301.324 -0.408 20 0 DBADRM Cn1nnc2ccc(C(=O)Nc3n[n-]c(S(C)(=O)=O)n3)cc21 ZINC000350157565 393232844 /nfs/dbraw/zinc/23/28/44/393232844.db2.gz QUXIQOJKJQBTCH-UHFFFAOYSA-N -1 0 321.322 -0.258 20 0 DBADRM Cc1ccccc1CCNC(=O)CS(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000350185910 393234156 /nfs/dbraw/zinc/23/41/56/393234156.db2.gz YSYPFFHKPLXFLO-UHFFFAOYSA-N -1 0 324.362 -0.049 20 0 DBADRM CCC(CO)(CO)NC(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000350638586 393243018 /nfs/dbraw/zinc/24/30/18/393243018.db2.gz MURIWLRPPAPHHI-SSDOTTSWSA-N -1 0 304.372 -0.078 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000350640104 393244170 /nfs/dbraw/zinc/24/41/70/393244170.db2.gz RSONBUXXVKQVKH-LURJTMIESA-N -1 0 323.400 -0.662 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)N(CCO)C[C@H](C)O)s[n-]1 ZINC000350702276 393244875 /nfs/dbraw/zinc/24/48/75/393244875.db2.gz BDKOLLATGSMFNY-YUMQZZPRSA-N -1 0 304.372 -0.126 20 0 DBADRM COc1ccc(C(=O)NCC(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC000349052810 393186316 /nfs/dbraw/zinc/18/63/16/393186316.db2.gz YCHTWMDEYNFICD-AWEZNQCLSA-N -1 0 310.306 -0.623 20 0 DBADRM Cn1nc(C(=O)NC[C@@](C)(O)C(=O)[O-])c(=O)c2ccccc21 ZINC000349043733 393187219 /nfs/dbraw/zinc/18/72/19/393187219.db2.gz FDRRFTLYCMGHIL-CQSZACIVSA-N -1 0 305.290 -0.501 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000349081663 393189619 /nfs/dbraw/zinc/18/96/19/393189619.db2.gz OJWUEDHPTNDECK-LBPRGKRZSA-N -1 0 316.335 -0.840 20 0 DBADRM COC(=O)c1ccc(F)c(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000275078180 292012294 /nfs/dbraw/zinc/01/22/94/292012294.db2.gz MNUBWTQEACCEQB-QMMMGPOBSA-N -1 0 321.282 -0.664 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1[n-]c(SC)nc1=O)C(C)C ZINC000351651629 393297467 /nfs/dbraw/zinc/29/74/67/393297467.db2.gz PPIYAZQVPLGIJU-QMMMGPOBSA-N -1 0 302.356 -0.393 20 0 DBADRM C[C@H](CN1CCOCC1)NS(=O)(=O)[N-]CC(F)(F)F ZINC000192015270 393265879 /nfs/dbraw/zinc/26/58/79/393265879.db2.gz XZICCOAQHUEGEG-MRVPVSSYSA-N -1 0 305.322 -0.307 20 0 DBADRM C[C@H](CNS(=O)(=O)[N-]CC(F)(F)F)N1CCOCC1 ZINC000192013322 393266428 /nfs/dbraw/zinc/26/64/28/393266428.db2.gz YBGSEXSNOZZHOI-MRVPVSSYSA-N -1 0 305.322 -0.307 20 0 DBADRM O=C1CCCN1CCCNS(=O)(=O)[N-]CC(F)(F)F ZINC000192009332 393267219 /nfs/dbraw/zinc/26/72/19/393267219.db2.gz PKJMCLSFNBYLJN-UHFFFAOYSA-N -1 0 303.306 -0.015 20 0 DBADRM COC(=O)c1ccc(CNC(=O)c2cnc([O-])n(C)c2=O)nc1 ZINC000351160867 393268390 /nfs/dbraw/zinc/26/83/90/393268390.db2.gz FPCZHGPTPBBWSM-UHFFFAOYSA-N -1 0 318.289 -0.403 20 0 DBADRM CCC[C@@H](NC(=O)CNC(=O)c1ncccc1O)c1nnn[n-]1 ZINC000352564058 393385919 /nfs/dbraw/zinc/38/59/19/393385919.db2.gz VMZZOUKMCMNVER-MRVPVSSYSA-N -1 0 319.325 -0.312 20 0 DBADRM COc1n[nH]c(NC(=O)Cn2nnc3ccccc3c2=O)n1 ZINC000352643115 393392855 /nfs/dbraw/zinc/39/28/55/393392855.db2.gz IIPFRIXDBJCOBE-UHFFFAOYSA-N -1 0 301.266 -0.443 20 0 DBADRM COc1n[nH]c(NC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)n1 ZINC000352649042 393393127 /nfs/dbraw/zinc/39/31/27/393393127.db2.gz WMJHCUKTTHOZOR-MRVPVSSYSA-N -1 0 307.314 -0.332 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)[C@H]2COc3ccccc3O2)n[n-]1 ZINC000352749995 393401721 /nfs/dbraw/zinc/40/17/21/393401721.db2.gz VHCBSRQHTAERRK-SECBINFHSA-N -1 0 324.318 -0.013 20 0 DBADRM O=C(CNC(=O)COc1ccccc1)NC1(c2nnn[n-]2)CC1 ZINC000352216716 393358688 /nfs/dbraw/zinc/35/86/88/393358688.db2.gz KFFLIINSFWFYPB-UHFFFAOYSA-N -1 0 316.321 -0.500 20 0 DBADRM CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O ZINC000352284037 393363923 /nfs/dbraw/zinc/36/39/23/393363923.db2.gz NATQJQVCUHYLJX-LLVKDONJSA-N -1 0 319.427 -0.217 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000352437379 393375818 /nfs/dbraw/zinc/37/58/18/393375818.db2.gz GDYSRWVPIUBINA-MRVPVSSYSA-N -1 0 301.372 -0.234 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000360572685 393444366 /nfs/dbraw/zinc/44/43/66/393444366.db2.gz YISZMMLFORBOMD-SECBINFHSA-N -1 0 313.397 -0.310 20 0 DBADRM O=C(CN1CCOC[C@@H]1C(=O)[O-])NC[C@@H]1Cc2ccccc2O1 ZINC000648425782 393469557 /nfs/dbraw/zinc/46/95/57/393469557.db2.gz PLUGVAPZOGLGOE-QWHCGFSZSA-N -1 0 320.345 -0.108 20 0 DBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)s[n-]1 ZINC000645569027 393477784 /nfs/dbraw/zinc/47/77/84/393477784.db2.gz CAIWWEJQUUCWOO-BRPSZJMVSA-N -1 0 324.406 -0.107 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645696584 393493776 /nfs/dbraw/zinc/49/37/76/393493776.db2.gz WRXVUPMCHVZROS-SECBINFHSA-N -1 0 320.367 -0.425 20 0 DBADRM C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000396638859 393529053 /nfs/dbraw/zinc/52/90/53/393529053.db2.gz GIIMAGCEVWLQDV-VXGBXAGGSA-N -1 0 311.382 -0.090 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000090276833 292020772 /nfs/dbraw/zinc/02/07/72/292020772.db2.gz AMRZBWHUCVJJBW-LBPRGKRZSA-N -1 0 317.319 -0.413 20 0 DBADRM CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CSCC(=O)[O-])C1 ZINC000262713324 393596927 /nfs/dbraw/zinc/59/69/27/393596927.db2.gz MMYIWJDIHNUZFI-UHFFFAOYSA-N -1 0 304.368 -0.142 20 0 DBADRM COCCc1nc(=NCCNS(=O)(=O)NC(C)C)s[n-]1 ZINC000428672716 393679791 /nfs/dbraw/zinc/67/97/91/393679791.db2.gz YHPNGILWEXSEPJ-UHFFFAOYSA-N -1 0 323.444 -0.607 20 0 DBADRM NC(=O)Cn1ccc([N-]S(=O)(=O)CCOCC2CC2)n1 ZINC000424070052 393626900 /nfs/dbraw/zinc/62/69/00/393626900.db2.gz WXGWZHUCNVGGSJ-UHFFFAOYSA-N -1 0 302.356 -0.463 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)c1cc(C2CC2)n[nH]1 ZINC000424242468 393635990 /nfs/dbraw/zinc/63/59/90/393635990.db2.gz ZXGNFQCRKIAINH-VIFPVBQESA-N -1 0 318.293 -0.307 20 0 DBADRM CCc1ocnc1C(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424236789 393636236 /nfs/dbraw/zinc/63/62/36/393636236.db2.gz TXFXGKNHMCIAPI-ZCFIWIBFSA-N -1 0 307.266 -0.357 20 0 DBADRM C[C@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C(=O)[O-] ZINC000424254668 393636393 /nfs/dbraw/zinc/63/63/93/393636393.db2.gz LHKJAICVIXDMDG-IONNQARKSA-N -1 0 311.294 -0.881 20 0 DBADRM COCC(=O)N1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000424399246 393638053 /nfs/dbraw/zinc/63/80/53/393638053.db2.gz PYWPBIDCQZHPFL-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM CCCCCS(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424389350 393638444 /nfs/dbraw/zinc/63/84/44/393638444.db2.gz HYMYTCLYXICKEA-QMMMGPOBSA-N -1 0 318.355 -0.228 20 0 DBADRM CC[C@@H](C)CS(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424394844 393638532 /nfs/dbraw/zinc/63/85/32/393638532.db2.gz UJUPMKSQCMLWRF-HTQZYQBOSA-N -1 0 318.355 -0.372 20 0 DBADRM CCCCS(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424393912 393638537 /nfs/dbraw/zinc/63/85/37/393638537.db2.gz SAXKODVGAYDAHG-SSDOTTSWSA-N -1 0 304.328 -0.618 20 0 DBADRM COC(=O)c1occc1CN1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424408689 393639372 /nfs/dbraw/zinc/63/93/72/393639372.db2.gz FDZARIHDMRKWKO-QMMMGPOBSA-N -1 0 322.277 -0.168 20 0 DBADRM CC(C)C(=O)NCCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424462535 393640734 /nfs/dbraw/zinc/64/07/34/393640734.db2.gz FDNNONDYMATCAS-UHFFFAOYSA-N -1 0 315.370 -0.508 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCCn1ccnc1)C(=O)[O-] ZINC000424466663 393641117 /nfs/dbraw/zinc/64/11/17/393641117.db2.gz LKIMSHRYDYXSPL-NSHDSACASA-N -1 0 310.354 -0.138 20 0 DBADRM CCC(CC)(CNC(=O)NCCN1CCNC(=O)C1)C(=O)[O-] ZINC000424449763 393641262 /nfs/dbraw/zinc/64/12/62/393641262.db2.gz LYRBSJJLCGRZIR-UHFFFAOYSA-N -1 0 314.386 -0.392 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCn2ncnc2C1)C(=O)[O-] ZINC000424475300 393642025 /nfs/dbraw/zinc/64/20/25/393642025.db2.gz BMVSROSIGZZSEB-JTQLQIEISA-N -1 0 323.353 -0.517 20 0 DBADRM CC(C)C[C@@H](CNC(=O)NCCN1CCNC(=O)C1)C(=O)[O-] ZINC000424455746 393642136 /nfs/dbraw/zinc/64/21/36/393642136.db2.gz VPNVFHDWZRXBBL-NSHDSACASA-N -1 0 314.386 -0.536 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CCC[C@@H](CO)C1)C(=O)[O-] ZINC000424483333 393643428 /nfs/dbraw/zinc/64/34/28/393643428.db2.gz PTEFOXLKHVLIMP-SNVBAGLBSA-N -1 0 300.355 -0.166 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CCC(C)(O)CC1)C(=O)[O-] ZINC000424478719 393643479 /nfs/dbraw/zinc/64/34/79/393643479.db2.gz GUPRPTHNWFKPDS-UHFFFAOYSA-N -1 0 300.355 -0.023 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N[C@H](C)C[S@](C)=O)C(=O)[O-] ZINC000424487604 393644963 /nfs/dbraw/zinc/64/49/63/393644963.db2.gz KIKALASYQXIUKY-BTKVJGODSA-N -1 0 320.411 -0.123 20 0 DBADRM C[S@@](=O)C1(CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000424488213 393644975 /nfs/dbraw/zinc/64/49/75/393644975.db2.gz LXIPSSBZQSWIII-OAQYLSRUSA-N -1 0 318.395 -0.369 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N[C@@H](C)C[S@@](C)=O)C(=O)[O-] ZINC000424487606 393644987 /nfs/dbraw/zinc/64/49/87/393644987.db2.gz KIKALASYQXIUKY-JLTPVHFHSA-N -1 0 320.411 -0.123 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424487638 393645162 /nfs/dbraw/zinc/64/51/62/393645162.db2.gz KMMCVWAXTJXPNT-FHZGZLOMSA-N -1 0 306.384 -0.513 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1CC[C@](C)(O)C1)C(=O)[O-] ZINC000424487739 393645188 /nfs/dbraw/zinc/64/51/88/393645188.db2.gz IPPJCIQZAQSKMJ-ZDUSSCGKSA-N -1 0 300.355 -0.023 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1C[C@H](O)C[C@@H]1C)C(=O)[O-] ZINC000424487541 393645207 /nfs/dbraw/zinc/64/52/07/393645207.db2.gz ICKDWKWQRYVBJF-VHSXEESVSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424488270 393645293 /nfs/dbraw/zinc/64/52/93/393645293.db2.gz KATIUQQAUCLFRO-LLVKDONJSA-N -1 0 315.370 -0.508 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000645969055 393736421 /nfs/dbraw/zinc/73/64/21/393736421.db2.gz HJSNGTPBMGWVAC-SSDOTTSWSA-N -1 0 324.380 -0.234 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCOC[C@H]1CCOC1 ZINC000645964801 393736767 /nfs/dbraw/zinc/73/67/67/393736767.db2.gz VKMKNSJSUIYWKT-QWRGUYRKSA-N -1 0 322.383 -0.577 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@]2(CCOC2)O1 ZINC000645991491 393738897 /nfs/dbraw/zinc/73/88/97/393738897.db2.gz PYJQKBSNFPHIKH-JQWIXIFHSA-N -1 0 322.383 -0.483 20 0 DBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000646032075 393742503 /nfs/dbraw/zinc/74/25/03/393742503.db2.gz XCIZBWNBNSUIBA-QMMMGPOBSA-N -1 0 301.324 -0.239 20 0 DBADRM O=C([O-])C[C@H]1COCCN1S(=O)(=O)CC[C@H]1CCOC1 ZINC000646042284 393742544 /nfs/dbraw/zinc/74/25/44/393742544.db2.gz ARADRIQNVSCQEF-MNOVXSKESA-N -1 0 307.368 -0.082 20 0 DBADRM Cn1cnc(CCCNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])n1 ZINC000646056966 393746980 /nfs/dbraw/zinc/74/69/80/393746980.db2.gz OMAVFACCWNKYPP-SECBINFHSA-N -1 0 317.371 -0.869 20 0 DBADRM CN(C)C(=O)Cn1cnc(=NC(=O)N=c2[nH][nH]cc2C2CC2)[n-]1 ZINC000646286849 393762407 /nfs/dbraw/zinc/76/24/07/393762407.db2.gz KWSGEMRLMBQJCO-UHFFFAOYSA-N -1 0 318.341 -0.545 20 0 DBADRM CC(C)(C)N1CC[C@@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1=O ZINC000646165990 393755502 /nfs/dbraw/zinc/75/55/02/393755502.db2.gz KXJMVDIYKYXPSU-NXEZZACHSA-N -1 0 313.354 -0.119 20 0 DBADRM CN(C(=O)NCC1(C(=O)[O-])CCOCC1)[C@@H]1CCN(C)C1=O ZINC000646167962 393755514 /nfs/dbraw/zinc/75/55/14/393755514.db2.gz JBIBIOUIZGJIPA-SNVBAGLBSA-N -1 0 313.354 -0.260 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000646152486 393755518 /nfs/dbraw/zinc/75/55/18/393755518.db2.gz JPOICYZUXHDDLK-NXEZZACHSA-N -1 0 313.354 -0.084 20 0 DBADRM COC[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCO1 ZINC000646170523 393755584 /nfs/dbraw/zinc/75/55/84/393755584.db2.gz UDNDGVZRYXZHRD-NSHDSACASA-N -1 0 316.354 -0.075 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000443517377 393717980 /nfs/dbraw/zinc/71/79/80/393717980.db2.gz PHAHWNVPRGXYQZ-UHFFFAOYSA-N -1 0 305.294 -0.306 20 0 DBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1nnn(C)n1 ZINC000490650385 393789630 /nfs/dbraw/zinc/78/96/30/393789630.db2.gz XIKUNZFLZZMQGJ-UHFFFAOYSA-N -1 0 316.325 -0.566 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000491178506 393804061 /nfs/dbraw/zinc/80/40/61/393804061.db2.gz KIBIFVNOJMDYEY-UHFFFAOYSA-N -1 0 310.719 -0.766 20 0 DBADRM COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000491245361 393808082 /nfs/dbraw/zinc/80/80/82/393808082.db2.gz PUNNEJVYWFNRSR-UHFFFAOYSA-N -1 0 307.372 -0.078 20 0 DBADRM COC(=O)N[C@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)C(C)C ZINC000491367115 393811549 /nfs/dbraw/zinc/81/15/49/393811549.db2.gz ODOLUBNBAYBGJZ-LURJTMIESA-N -1 0 319.343 -0.473 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCSC[C@H]1C(=O)[O-] ZINC000214831949 285714143 /nfs/dbraw/zinc/71/41/43/285714143.db2.gz NBEDSCVNZFEUSQ-QMMMGPOBSA-N -1 0 311.381 -0.229 20 0 DBADRM CCOC(=O)CC[C@@H](C)NC(=O)C(=O)N(C)CCC(=O)[O-] ZINC000420574968 285716317 /nfs/dbraw/zinc/71/63/17/285716317.db2.gz WNVICLDKPSAJNJ-SECBINFHSA-N -1 0 302.327 -0.233 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(CC)CC(=O)[O-] ZINC000216439656 285870147 /nfs/dbraw/zinc/87/01/47/285870147.db2.gz URCREIQIAYFKEA-VIFPVBQESA-N -1 0 308.356 -0.335 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-] ZINC000291021791 286139808 /nfs/dbraw/zinc/13/98/08/286139808.db2.gz WDWCCRJTDCUIQE-SNVBAGLBSA-N -1 0 316.335 -0.447 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@]12CCCO2 ZINC000274253516 286276442 /nfs/dbraw/zinc/27/64/42/286276442.db2.gz UADDDWIRAMTUNN-UEKVPHQBSA-N -1 0 323.349 -0.058 20 0 DBADRM COCC1(S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])CC1 ZINC000263510918 292256032 /nfs/dbraw/zinc/25/60/32/292256032.db2.gz XSOMQYSXZWBPDK-VIFPVBQESA-N -1 0 322.383 -0.594 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263174011 286649576 /nfs/dbraw/zinc/64/95/76/286649576.db2.gz JQTXHKZSVJAJGH-NXEZZACHSA-N -1 0 306.384 -0.020 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000037492683 292489998 /nfs/dbraw/zinc/48/99/98/292489998.db2.gz GTOXNOHYNMKFEA-LLVKDONJSA-N -1 0 324.399 -0.235 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000364811369 292490369 /nfs/dbraw/zinc/49/03/69/292490369.db2.gz MNDDGBJFTSKSRW-GFCCVEGCSA-N -1 0 324.399 -0.235 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000495895655 409806945 /nfs/dbraw/zinc/80/69/45/409806945.db2.gz VNBVSRMTCSHQGS-UHFFFAOYSA-N -1 0 306.300 -0.932 20 0 DBADRM COc1n[n-]c(=NC(=O)N2CCN(Cc3nc[nH]n3)CC2)s1 ZINC000650146224 411634315 /nfs/dbraw/zinc/63/43/15/411634315.db2.gz ZFTQLYIDLRMPQD-UHFFFAOYSA-N -1 0 324.370 -0.564 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655244944 411635562 /nfs/dbraw/zinc/63/55/62/411635562.db2.gz YXDCNMRXSTZGEV-XHNCKOQMSA-N -1 0 311.342 -0.490 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCCN1CCOCC1 ZINC000650236568 411639578 /nfs/dbraw/zinc/63/95/78/411639578.db2.gz YSFGXLCDSZHDRQ-NSHDSACASA-N -1 0 308.400 -0.167 20 0 DBADRM CCC[C@H](C)[C@H](CO)NC(=O)C(=O)N=c1ccc(OC)n[n-]1 ZINC000651963558 411641383 /nfs/dbraw/zinc/64/13/83/411641383.db2.gz BDQFPOZONXMJQG-UWVGGRQHSA-N -1 0 310.354 -0.241 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@H](F)C1)C2 ZINC000662915026 411657288 /nfs/dbraw/zinc/65/72/88/411657288.db2.gz HLUGYECLHZVMBH-VYUIOLGVSA-N -1 0 300.286 -0.884 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](F)C1)C2 ZINC000662915025 411657696 /nfs/dbraw/zinc/65/76/96/411657696.db2.gz HLUGYECLHZVMBH-JRKPZEMJSA-N -1 0 300.286 -0.884 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCCCCC1)C2 ZINC000662902452 411658016 /nfs/dbraw/zinc/65/80/16/411658016.db2.gz JPUQGTQXNXGRKP-IAQYHMDHSA-N -1 0 310.350 -0.051 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000663120659 411669437 /nfs/dbraw/zinc/66/94/37/411669437.db2.gz XWGAVHXHLGUMPT-RKDXNWHRSA-N -1 0 307.372 -0.777 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000663099659 411670340 /nfs/dbraw/zinc/67/03/40/411670340.db2.gz DGCPTMJUZQAOTK-CYBMUJFWSA-N -1 0 310.310 -0.915 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000663127512 411670406 /nfs/dbraw/zinc/67/04/06/411670406.db2.gz MKWIIUWJDMTOQL-RKDXNWHRSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000663627041 411682741 /nfs/dbraw/zinc/68/27/41/411682741.db2.gz DUARXUNSSUGQJG-KRTXAFLBSA-N -1 0 308.281 -0.152 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCO[C@@H](CF)C1)C1CCC1 ZINC000663639972 411683211 /nfs/dbraw/zinc/68/32/11/411683211.db2.gz ZQBIVBWFMKASSQ-QWRGUYRKSA-N -1 0 316.329 -0.200 20 0 DBADRM C=CCC[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000316256088 411683232 /nfs/dbraw/zinc/68/32/32/411683232.db2.gz DJXDFVXXNCBUIL-VHSXEESVSA-N -1 0 304.368 -0.054 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000650700556 411684652 /nfs/dbraw/zinc/68/46/52/411684652.db2.gz NZCHYDFFQAGQCG-AOOOYVTPSA-N -1 0 312.347 -0.144 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(OCCC(N)=O)cc1)C(=O)[O-] ZINC000659062866 411688771 /nfs/dbraw/zinc/68/87/71/411688771.db2.gz OIULCGBZMJLCCU-MRVPVSSYSA-N -1 0 323.305 -0.531 20 0 DBADRM CC(C)(C)n1nccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000659061985 411689043 /nfs/dbraw/zinc/68/90/43/411689043.db2.gz GXYVLQYVXNJHRT-SECBINFHSA-N -1 0 324.337 -0.111 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)Nc2ccnc(OCCO)c2)C1 ZINC000659062050 411689141 /nfs/dbraw/zinc/68/91/41/411689141.db2.gz JCUNSALBBAMHDS-VIFPVBQESA-N -1 0 323.305 -0.676 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659058056 411689420 /nfs/dbraw/zinc/68/94/20/411689420.db2.gz HXCAEHYAJYDVAE-VXNVDRBHSA-N -1 0 320.305 -0.641 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)c2nnn(C(C)C)c2C)[n-]n1 ZINC000650818550 411691132 /nfs/dbraw/zinc/69/11/32/411691132.db2.gz OXKOQRMPQNYZQD-UHFFFAOYSA-N -1 0 303.326 -0.009 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)N=c2ccc(C(=O)NC)n[n-]2)C1 ZINC000650816046 411691163 /nfs/dbraw/zinc/69/11/63/411691163.db2.gz HVCHCKNRROZQHQ-SNVBAGLBSA-N -1 0 319.365 -0.155 20 0 DBADRM CCCC(=O)N1CCC[C@@H]1C(=O)N=c1ccc(C(=O)NC)n[n-]1 ZINC000650816297 411691454 /nfs/dbraw/zinc/69/14/54/411691454.db2.gz QUQXSDHKGARWQQ-LLVKDONJSA-N -1 0 319.365 -0.012 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@H](C)OC[C@@H]2CCCO2)[n-]n1 ZINC000650816536 411693631 /nfs/dbraw/zinc/69/36/31/411693631.db2.gz ZERLUWBPVYGTAW-ZJUUUORDSA-N -1 0 308.338 -0.219 20 0 DBADRM CC(C)C[C@H](NC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)[O-] ZINC000653278245 411701839 /nfs/dbraw/zinc/70/18/39/411701839.db2.gz KMORGUKIQXDTLN-JTQLQIEISA-N -1 0 310.354 -0.003 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000653317389 411737622 /nfs/dbraw/zinc/73/76/22/411737622.db2.gz UVWUQDKBXMKKQH-UWVGGRQHSA-N -1 0 322.383 -0.594 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1ccn2nnnc2c1)[C@H]1CCCOC1 ZINC000659147195 411738058 /nfs/dbraw/zinc/73/80/58/411738058.db2.gz SSCDQPJQIFZNOZ-ONGXEEELSA-N -1 0 305.294 -0.266 20 0 DBADRM CC[C@@H](O)CCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000398453786 411739752 /nfs/dbraw/zinc/73/97/52/411739752.db2.gz FDQDUFPWHHZKJZ-SECBINFHSA-N -1 0 305.356 -0.203 20 0 DBADRM C[C@H](NC(=O)CC1(n2cnnn2)CCOCC1)[C@H](C)C(=O)[O-] ZINC000659151872 411742482 /nfs/dbraw/zinc/74/24/82/411742482.db2.gz DFRISZISLQHCTI-UWVGGRQHSA-N -1 0 311.342 -0.206 20 0 DBADRM O=C([O-])C1(CNC(=O)CC2(n3cnnn3)CCOCC2)CC1 ZINC000659152349 411742574 /nfs/dbraw/zinc/74/25/74/411742574.db2.gz GJGMOXLWLHYCBI-UHFFFAOYSA-N -1 0 309.326 -0.450 20 0 DBADRM CCC[C@H](NC(=O)Cn1nc2n(c1=O)CCCC2)c1nnn[n-]1 ZINC000651461981 411746674 /nfs/dbraw/zinc/74/66/74/411746674.db2.gz NCUVJGDHEBBGAU-VIFPVBQESA-N -1 0 320.357 -0.448 20 0 DBADRM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2ccn3nnnc3c2)C1 ZINC000659160278 411752818 /nfs/dbraw/zinc/75/28/18/411752818.db2.gz IFZNGBKNEIGDLI-ZJUUUORDSA-N -1 0 305.294 -0.172 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)c2ccccc21 ZINC000652067840 411753547 /nfs/dbraw/zinc/75/35/47/411753547.db2.gz JHYUKVCWZVQQCD-NXEZZACHSA-N -1 0 310.331 -0.107 20 0 DBADRM Cc1oc(CN(C)C(=O)[C@@H]2CCS(=O)(=O)N2)cc1C(=O)[O-] ZINC000652058180 411753627 /nfs/dbraw/zinc/75/36/27/411753627.db2.gz MITRKDPBRUOJEN-JTQLQIEISA-N -1 0 316.335 -0.064 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)c1ccccc1 ZINC000652060899 411753631 /nfs/dbraw/zinc/75/36/31/411753631.db2.gz LCVZDXKUDUBBJC-WDEREUQCSA-N -1 0 312.347 -0.337 20 0 DBADRM C[C@]1(NC(=O)[C@H]2CCS(=O)(=O)N2)CCCC[C@H]1C(=O)[O-] ZINC000652067490 411753649 /nfs/dbraw/zinc/75/36/49/411753649.db2.gz ZWRHMGNBMNZSIA-SBMIAAHKSA-N -1 0 304.368 -0.172 20 0 DBADRM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652066261 411753688 /nfs/dbraw/zinc/75/36/88/411753688.db2.gz DSKUQVITPNAYMX-NXEZZACHSA-N -1 0 304.368 -0.076 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CCc2ccccc21 ZINC000652055814 411754294 /nfs/dbraw/zinc/75/42/94/411754294.db2.gz NJQCOFFRTUQXDX-SMDDNHRTSA-N -1 0 324.358 -0.279 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)[C@H]2CCS(=O)(=O)N2)cc1 ZINC000652066487 411754308 /nfs/dbraw/zinc/75/43/08/411754308.db2.gz LTHRQPSWYQDCFW-SNVBAGLBSA-N -1 0 314.319 -0.220 20 0 DBADRM COC1(C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C(=O)[O-])CCC1 ZINC000652106259 411758188 /nfs/dbraw/zinc/75/81/88/411758188.db2.gz DHYLIQBWBHGCAW-IUCAKERBSA-N -1 0 307.368 -0.052 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C3CCC3)CC2)[n-]1 ZINC000651569382 411759448 /nfs/dbraw/zinc/75/94/48/411759448.db2.gz VOCRJLUKZOACJB-UHFFFAOYSA-N -1 0 320.397 -0.084 20 0 DBADRM COCC1(CS(=O)(=O)NCCc2nc(=O)o[n-]2)CCC1 ZINC000651678669 411769445 /nfs/dbraw/zinc/76/94/45/411769445.db2.gz YOJCTKBGPMGYSG-UHFFFAOYSA-N -1 0 305.356 -0.359 20 0 DBADRM CC[C@H]1[C@H](CO)CCN1C(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651833117 411777192 /nfs/dbraw/zinc/77/71/92/411777192.db2.gz QJDUYGRVTHFGMH-QWRGUYRKSA-N -1 0 309.370 -0.161 20 0 DBADRM CC[C@H]1[C@@H](CO)CCN1C(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651833116 411777255 /nfs/dbraw/zinc/77/72/55/411777255.db2.gz QJDUYGRVTHFGMH-MNOVXSKESA-N -1 0 309.370 -0.161 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@@H]3COC[C@@H]32)[n-]1 ZINC000651849703 411779173 /nfs/dbraw/zinc/77/91/73/411779173.db2.gz YLJHTTOKJKTUMU-MNOVXSKESA-N -1 0 307.354 -0.143 20 0 DBADRM O=C([O-])C12CC(C1)CN2C(=O)CC1(n2cnnn2)CCOCC1 ZINC000659180007 411789304 /nfs/dbraw/zinc/78/93/04/411789304.db2.gz QFZOIDQVVXGZHF-UHFFFAOYSA-N -1 0 321.337 -0.356 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)CCN2C1=O ZINC000653299931 411721171 /nfs/dbraw/zinc/72/11/71/411721171.db2.gz IANSESQQXAKSFX-OUAUKWLOSA-N -1 0 323.349 -0.018 20 0 DBADRM C[C@@H](CCC(=O)[O-])NC(=O)CC1(n2cnnn2)CCOCC1 ZINC000659141404 411725652 /nfs/dbraw/zinc/72/56/52/411725652.db2.gz HSETUOYTBDSSKK-JTQLQIEISA-N -1 0 311.342 -0.062 20 0 DBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(Cc2nnnn2CC(F)(F)F)C1 ZINC000652477312 411803363 /nfs/dbraw/zinc/80/33/63/411803363.db2.gz QCYOLTWMFMHKBI-BQBZGAKWSA-N -1 0 309.248 -0.091 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000652618066 411806474 /nfs/dbraw/zinc/80/64/74/411806474.db2.gz CCHCXTZFNQEJIH-WAAGHKOSSA-N -1 0 305.290 -0.297 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653330195 411809754 /nfs/dbraw/zinc/80/97/54/411809754.db2.gz BJUZEZSOFHZQLV-MNOVXSKESA-N -1 0 312.347 -0.035 20 0 DBADRM Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000652653637 411810366 /nfs/dbraw/zinc/81/03/66/411810366.db2.gz PSFBKZWQDWXDRF-NSHDSACASA-N -1 0 324.337 -0.699 20 0 DBADRM C[C@@H](CO)C1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC000652660608 411810426 /nfs/dbraw/zinc/81/04/26/411810426.db2.gz SASZJOYIGLQEOJ-JQWIXIFHSA-N -1 0 312.366 -0.214 20 0 DBADRM CCN1C[C@H](CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC1=O ZINC000652655503 411810831 /nfs/dbraw/zinc/81/08/31/411810831.db2.gz GGMISQUFCFNBIX-UWVGGRQHSA-N -1 0 313.354 -0.850 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)C2(C(=O)[O-])CC2)c1 ZINC000653335567 411812341 /nfs/dbraw/zinc/81/23/41/411812341.db2.gz RSIOXIUDYIGCKC-UHFFFAOYSA-N -1 0 316.310 -0.046 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)CCC(=O)NCCNC(C)=O ZINC000653341493 411815582 /nfs/dbraw/zinc/81/55/82/411815582.db2.gz FOUAFXLDEKTRLP-JTQLQIEISA-N -1 0 301.343 -0.660 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(S(=O)(=O)NC)nc1 ZINC000653345276 411818282 /nfs/dbraw/zinc/81/82/82/411818282.db2.gz PDVFKQQSUITHFW-VIFPVBQESA-N -1 0 315.351 -0.075 20 0 DBADRM COc1ccc(C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])o1 ZINC000655546717 411819472 /nfs/dbraw/zinc/81/94/72/411819472.db2.gz KQNJLXJFFFEODN-ZCFIWIBFSA-N -1 0 308.250 -0.306 20 0 DBADRM COCC[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000052785001 411821270 /nfs/dbraw/zinc/82/12/70/411821270.db2.gz BNMPOAWIXOZQED-VHSXEESVSA-N -1 0 322.383 -0.736 20 0 DBADRM COCC[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000052785000 411821468 /nfs/dbraw/zinc/82/14/68/411821468.db2.gz BNMPOAWIXOZQED-UWVGGRQHSA-N -1 0 322.383 -0.736 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@H](C(=O)[O-])C1 ZINC000659221311 411825066 /nfs/dbraw/zinc/82/50/66/411825066.db2.gz LHKHQWMYCFCJGJ-KXUCPTDWSA-N -1 0 320.367 -0.889 20 0 DBADRM C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000655559782 411834124 /nfs/dbraw/zinc/83/41/24/411834124.db2.gz QVLHFABLNKQYSI-MRVPVSSYSA-N -1 0 318.326 -0.059 20 0 DBADRM CC(C)[C@H](CNC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000655564533 411834891 /nfs/dbraw/zinc/83/48/91/411834891.db2.gz HWDVTXHERJKPMY-VIFPVBQESA-N -1 0 315.351 -0.184 20 0 DBADRM O=C([O-])CN(C(=O)Cn1nc2ccccn2c1=O)C1CCC1 ZINC000655594458 411836897 /nfs/dbraw/zinc/83/68/97/411836897.db2.gz UAEWTXSTAFDDDD-UHFFFAOYSA-N -1 0 304.306 -0.038 20 0 DBADRM Cn1nnc2c1CC[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)C2 ZINC000655586767 411837071 /nfs/dbraw/zinc/83/70/71/411837071.db2.gz YESPJTDNPUUHIC-SSDOTTSWSA-N -1 0 302.294 -0.409 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000655597096 411837076 /nfs/dbraw/zinc/83/70/76/411837076.db2.gz MUZWWCYFFMGHCB-SNVBAGLBSA-N -1 0 315.351 -0.915 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CN1CCCNC1=O ZINC000655598577 411837113 /nfs/dbraw/zinc/83/71/13/411837113.db2.gz FSLRQMHSNQZAJW-LLVKDONJSA-N -1 0 306.322 -0.391 20 0 DBADRM C[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C2 ZINC000659660252 411858993 /nfs/dbraw/zinc/85/89/93/411858993.db2.gz IHNZNRZTLNAQTF-SQYUCLKFSA-N -1 0 310.350 -0.149 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1COCCO1)C(=O)[O-] ZINC000659660419 411859090 /nfs/dbraw/zinc/85/90/90/411859090.db2.gz AAUXIGKBJDGIHL-WDEREUQCSA-N -1 0 316.354 -0.667 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCO[C@H]2CC2(F)F)C1 ZINC000659662548 411859542 /nfs/dbraw/zinc/85/95/42/411859542.db2.gz GNRBNORKFGSQNJ-YUMQZZPRSA-N -1 0 306.265 -0.540 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1(F)F ZINC000659662716 411859578 /nfs/dbraw/zinc/85/95/78/411859578.db2.gz BPJJUJCKOXOWMV-CPCISQLKSA-N -1 0 306.265 -0.540 20 0 DBADRM C[C@]1(C(N)=O)CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659670554 411860025 /nfs/dbraw/zinc/86/00/25/411860025.db2.gz NCVWDZBBHBZPGN-ZDUSSCGKSA-N -1 0 311.338 -0.919 20 0 DBADRM C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659670547 411860097 /nfs/dbraw/zinc/86/00/97/411860097.db2.gz NCVWDZBBHBZPGN-CYBMUJFWSA-N -1 0 311.338 -0.919 20 0 DBADRM COC[C@H](CCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)OC ZINC000659670160 411860166 /nfs/dbraw/zinc/86/01/66/411860166.db2.gz IYFNKCMKGQISQD-JTQLQIEISA-N -1 0 316.354 -0.475 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CCN1S(C)(=O)=O ZINC000659199603 411896831 /nfs/dbraw/zinc/89/68/31/411896831.db2.gz UJZNOKGEGFAOGL-MXWKQRLJSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCN1S(C)(=O)=O ZINC000659198793 411897343 /nfs/dbraw/zinc/89/73/43/411897343.db2.gz NURXJSQOKYLCOC-BBBLOLIVSA-N -1 0 320.367 -0.889 20 0 DBADRM CN(C(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000386804617 411925576 /nfs/dbraw/zinc/92/55/76/411925576.db2.gz OPECRHAVDVRILB-UTLUCORTSA-N -1 0 318.395 -0.165 20 0 DBADRM CCN(C(=O)N=c1ncn(CC(=O)N(C)C)[n-]1)[C@H]1CCCOC1 ZINC000650054841 411928372 /nfs/dbraw/zinc/92/83/72/411928372.db2.gz RAUBREXOAKGSKE-NSHDSACASA-N -1 0 324.385 -0.179 20 0 DBADRM COC[C@@H](NC(=O)NCc1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC000653531362 411877537 /nfs/dbraw/zinc/87/75/37/411877537.db2.gz JDAPCEIFEYIDRO-SSDOTTSWSA-N -1 0 300.319 -0.673 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000653537208 411878086 /nfs/dbraw/zinc/87/80/86/411878086.db2.gz MPQAUYOKVUMWBN-SNVBAGLBSA-N -1 0 324.399 -0.490 20 0 DBADRM COCC[C@H](NC(=O)NCc1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC000653531904 411878296 /nfs/dbraw/zinc/87/82/96/411878296.db2.gz ADOHKMAXXRALQU-QMMMGPOBSA-N -1 0 314.346 -0.283 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)NCCCCC(=O)[O-])C1 ZINC000400186454 411883167 /nfs/dbraw/zinc/88/31/67/411883167.db2.gz JSQGMUFZLOREGW-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM CC(C)(C)[C@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400319805 411884174 /nfs/dbraw/zinc/88/41/74/411884174.db2.gz XPUARDNNEGBTDE-RKDXNWHRSA-N -1 0 321.399 -0.181 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400317667 411884214 /nfs/dbraw/zinc/88/42/14/411884214.db2.gz WUNXALLBUVQLJJ-SKDRFNHKSA-N -1 0 319.383 -0.331 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)NCCCCCC(=O)[O-])C1 ZINC000400276122 411884217 /nfs/dbraw/zinc/88/42/17/411884217.db2.gz GPNMLFZPILXALM-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM CC(C)[C@H](CNC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC000655862651 411974697 /nfs/dbraw/zinc/97/46/97/411974697.db2.gz BZJVAGJBCJCJAO-JTQLQIEISA-N -1 0 323.415 -0.076 20 0 DBADRM CC(C)[C@H](CNC(=O)NCCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000655868511 411975179 /nfs/dbraw/zinc/97/51/79/411975179.db2.gz SWGGOVUWQWBZSK-VIFPVBQESA-N -1 0 314.342 -0.416 20 0 DBADRM C[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)C(=O)[O-] ZINC000655870351 411975403 /nfs/dbraw/zinc/97/54/03/411975403.db2.gz XGCUFOCZQLMMRE-VHSXEESVSA-N -1 0 323.353 -0.065 20 0 DBADRM C[C@@H](CNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)C(=O)[O-] ZINC000655888720 411975643 /nfs/dbraw/zinc/97/56/43/411975643.db2.gz NLQKYNUCLJUVEQ-UWVGGRQHSA-N -1 0 321.399 -0.322 20 0 DBADRM C[C@H](CNC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000655875046 411975723 /nfs/dbraw/zinc/97/57/23/411975723.db2.gz UNPDJCQEDVVUCI-UTLUCORTSA-N -1 0 301.343 -0.358 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)NCCCCC(=O)[O-])CC1 ZINC000655880640 411975755 /nfs/dbraw/zinc/97/57/55/411975755.db2.gz WXNBNOCLRKWHDT-UHFFFAOYSA-N -1 0 310.358 -0.098 20 0 DBADRM C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000655887493 411975864 /nfs/dbraw/zinc/97/58/64/411975864.db2.gz AILQZTNOVGYBQM-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM COCCNC(=O)C1CCN(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000655889685 411975872 /nfs/dbraw/zinc/97/58/72/411975872.db2.gz YBXUIEIANCAVQN-JTQLQIEISA-N -1 0 315.370 -0.109 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000655887363 411976047 /nfs/dbraw/zinc/97/60/47/411976047.db2.gz LVHWIUYRMWIYBN-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CCO1 ZINC000655892641 411976051 /nfs/dbraw/zinc/97/60/51/411976051.db2.gz DCKOTTAWYZASHK-VXGBXAGGSA-N -1 0 315.370 -0.110 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCCNC(=O)c1ccn[nH]1)C(=O)[O-] ZINC000655872777 411976089 /nfs/dbraw/zinc/97/60/89/411976089.db2.gz CQOMCYCOLRFHFM-SECBINFHSA-N -1 0 311.342 -0.205 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000655888936 411976275 /nfs/dbraw/zinc/97/62/75/411976275.db2.gz PKUPWBGOXYHBNO-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM COCCN1CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1=O ZINC000655893059 411976347 /nfs/dbraw/zinc/97/63/47/411976347.db2.gz AVJDGOIHSDYJTC-NSHDSACASA-N -1 0 315.370 -0.157 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)NC[C@H](C)C(=O)[O-])C2 ZINC000655881683 411976599 /nfs/dbraw/zinc/97/65/99/411976599.db2.gz PDCUIYJXPXPCHJ-VIFPVBQESA-N -1 0 311.342 -0.287 20 0 DBADRM C[C@H](CNC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)C(=O)[O-] ZINC000655889191 411976679 /nfs/dbraw/zinc/97/66/79/411976679.db2.gz PWBVYSDQFFEQLQ-BDAKNGLRSA-N -1 0 307.372 -0.618 20 0 DBADRM C[C@@H](CNC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)C(=O)[O-] ZINC000655889193 411976744 /nfs/dbraw/zinc/97/67/44/411976744.db2.gz PWBVYSDQFFEQLQ-IUCAKERBSA-N -1 0 307.372 -0.618 20 0 DBADRM COCCN(C(=O)NC[C@H](C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000655889571 411976758 /nfs/dbraw/zinc/97/67/58/411976758.db2.gz SOIOVDVHQRKVIG-VHSXEESVSA-N -1 0 322.383 -0.448 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2)C(=O)[O-] ZINC000655941267 411979607 /nfs/dbraw/zinc/97/96/07/411979607.db2.gz PDVZARUHTUQOEQ-ZETCQYMHSA-N -1 0 321.289 -0.207 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C)C(=O)[O-] ZINC000655940455 411979975 /nfs/dbraw/zinc/97/99/75/411979975.db2.gz BTUOJJCQHLFNHU-QMMMGPOBSA-N -1 0 319.317 -0.019 20 0 DBADRM CNC(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000655943767 411979979 /nfs/dbraw/zinc/97/99/79/411979979.db2.gz TUMBBCPNQXYOSY-QMMMGPOBSA-N -1 0 307.306 -0.178 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2)C(=O)[O-] ZINC000655941266 411980736 /nfs/dbraw/zinc/98/07/36/411980736.db2.gz PDVZARUHTUQOEQ-SSDOTTSWSA-N -1 0 321.289 -0.207 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCCS(C)(=O)=O)C(=O)[O-] ZINC000655981161 411981359 /nfs/dbraw/zinc/98/13/59/411981359.db2.gz LUOWZVVTMYHXRX-SECBINFHSA-N -1 0 322.383 -0.990 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCC(=O)N(C)C)C(=O)[O-] ZINC000655981508 411981668 /nfs/dbraw/zinc/98/16/68/411981668.db2.gz MDPPYSJLTXJKFZ-VIFPVBQESA-N -1 0 301.343 -0.946 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCCN1CCCCC1=O)C(=O)[O-] ZINC000655984494 411981754 /nfs/dbraw/zinc/98/17/54/411981754.db2.gz OUNUYCDFXALBPD-SNVBAGLBSA-N -1 0 313.354 -0.658 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000655974648 411982057 /nfs/dbraw/zinc/98/20/57/411982057.db2.gz DTQAVTLALURUNP-QMMMGPOBSA-N -1 0 308.290 -0.132 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCNC(=O)c1ccccc1)C(=O)[O-] ZINC000655978956 411982111 /nfs/dbraw/zinc/98/21/11/411982111.db2.gz XYQUKVVSUKJWLS-SNVBAGLBSA-N -1 0 321.333 -0.631 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000655978825 411982147 /nfs/dbraw/zinc/98/21/47/411982147.db2.gz VMLKAHLWOYJXSJ-VIFPVBQESA-N -1 0 322.317 -0.089 20 0 DBADRM Cc1nccn1C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655979881 411982173 /nfs/dbraw/zinc/98/21/73/411982173.db2.gz BZJNFBDRCQZNPX-NXEZZACHSA-N -1 0 310.354 -0.219 20 0 DBADRM Cc1nccn1C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655979884 411982195 /nfs/dbraw/zinc/98/21/95/411982195.db2.gz BZJNFBDRCQZNPX-UWVGGRQHSA-N -1 0 310.354 -0.219 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@H]1COc2ccccc2C1)C(=O)[O-] ZINC000655981589 411982348 /nfs/dbraw/zinc/98/23/48/411982348.db2.gz NFVCGDUBJJHRDT-MWLCHTKSSA-N -1 0 306.318 -0.057 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1COc2ccccc2C1)C(=O)[O-] ZINC000655981588 411982452 /nfs/dbraw/zinc/98/24/52/411982452.db2.gz NFVCGDUBJJHRDT-KOLCDFICSA-N -1 0 306.318 -0.057 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1)C(=O)[O-] ZINC000655986592 411982810 /nfs/dbraw/zinc/98/28/10/411982810.db2.gz GICNVDHXNSGJNI-MNOVXSKESA-N -1 0 322.365 -0.144 20 0 DBADRM CCn1ncnc1CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655990572 411982836 /nfs/dbraw/zinc/98/28/36/411982836.db2.gz FQRREWLZKLLEHG-VIFPVBQESA-N -1 0 311.342 -0.613 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000655989223 411983077 /nfs/dbraw/zinc/98/30/77/411983077.db2.gz WOZGUTSGJWCPSC-DTWKUNHWSA-N -1 0 322.383 -0.991 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCOc1ncccc1F)C(=O)[O-] ZINC000655995240 411983242 /nfs/dbraw/zinc/98/32/42/411983242.db2.gz YSDASSJDZQPGSI-QMMMGPOBSA-N -1 0 313.285 -0.447 20 0 DBADRM CC(C)Cn1ccnc1CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655988857 411983348 /nfs/dbraw/zinc/98/33/48/411983348.db2.gz WBCYNGSIOFPCDV-SNVBAGLBSA-N -1 0 310.354 -0.008 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCCO[C@@H]1CCOC1)C(=O)[O-] ZINC000655991356 411983547 /nfs/dbraw/zinc/98/35/47/411983547.db2.gz LUGFIWGQFRUBPN-VHSXEESVSA-N -1 0 302.327 -0.865 20 0 DBADRM Cc1nn(C)c(C)c1CCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655988874 411983631 /nfs/dbraw/zinc/98/36/31/411983631.db2.gz WMGUUKWPUHACLJ-SECBINFHSA-N -1 0 324.381 -0.077 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1)C(=O)[O-] ZINC000655991542 411983672 /nfs/dbraw/zinc/98/36/72/411983672.db2.gz XRUNOYYELGJUBG-WDEREUQCSA-N -1 0 320.349 -0.387 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000655991511 411983744 /nfs/dbraw/zinc/98/37/44/411983744.db2.gz WTLKBOXNIIOTIW-DTWKUNHWSA-N -1 0 301.343 -0.948 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655987676 411983757 /nfs/dbraw/zinc/98/37/57/411983757.db2.gz MFAJBVQNWVGCQC-KXUCPTDWSA-N -1 0 302.327 -0.867 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655993544 411983797 /nfs/dbraw/zinc/98/37/97/411983797.db2.gz NMBFAVKZIRFHQS-MRVPVSSYSA-N -1 0 301.343 -0.898 20 0 DBADRM CCNC(=O)C1(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])CCC1 ZINC000655994203 411983926 /nfs/dbraw/zinc/98/39/26/411983926.db2.gz OFNLBSRYVLONKW-VIFPVBQESA-N -1 0 313.354 -0.754 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCC(=O)Nc1ccccc1)C(=O)[O-] ZINC000655988964 411983961 /nfs/dbraw/zinc/98/39/61/411983961.db2.gz VGPZLZDFFBQVKQ-SNVBAGLBSA-N -1 0 321.333 -0.032 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(=O)[O-] ZINC000655995107 411983991 /nfs/dbraw/zinc/98/39/91/411983991.db2.gz XLNPAOQKYPZZFT-DBIOUOCHSA-N -1 0 310.350 -0.103 20 0 DBADRM CCOCCOC1CN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000656002156 411984940 /nfs/dbraw/zinc/98/49/40/411984940.db2.gz VOZRADFQVTUVGG-SECBINFHSA-N -1 0 302.327 -0.913 20 0 DBADRM Cc1nnc([C@H]2CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C2)[nH]1 ZINC000656002206 411985024 /nfs/dbraw/zinc/98/50/24/411985024.db2.gz WPTJWMFJQCZTAT-WPRPVWTQSA-N -1 0 323.353 -0.344 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1)C(=O)[O-] ZINC000656004612 411985317 /nfs/dbraw/zinc/98/53/17/411985317.db2.gz GHGONYUUKYMKTR-SCZZXKLOSA-N -1 0 311.338 -0.907 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)C(=O)[O-] ZINC000656005899 411985459 /nfs/dbraw/zinc/98/54/59/411985459.db2.gz MYHFIOLQYJZCFG-PHDIDXHHSA-N -1 0 300.233 -0.795 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C(N)=O)C1)C(=O)[O-] ZINC000656009095 411986486 /nfs/dbraw/zinc/98/64/86/411986486.db2.gz RLQGCTUNIDPUGX-OTYXRUKQSA-N -1 0 313.354 -0.817 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCSC[C@@H]1CCO)C(=O)[O-] ZINC000656004708 411986818 /nfs/dbraw/zinc/98/68/18/411986818.db2.gz HKCDXPGXTXBKMG-BDAKNGLRSA-N -1 0 304.368 -0.850 20 0 DBADRM COCCOC1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000656008101 411987059 /nfs/dbraw/zinc/98/70/59/411987059.db2.gz DZDTZKMTGJPMBF-NSHDSACASA-N -1 0 316.354 -0.667 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCNC1=O)C(=O)[O-] ZINC000656007429 411987076 /nfs/dbraw/zinc/98/70/76/411987076.db2.gz FSNQZQYLIVLGDI-VHSXEESVSA-N -1 0 313.354 -0.898 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)C(=O)[O-] ZINC000656006663 411987125 /nfs/dbraw/zinc/98/71/25/411987125.db2.gz YVBATLZOWVQSGZ-KXUCPTDWSA-N -1 0 311.338 -0.907 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000656007745 411987154 /nfs/dbraw/zinc/98/71/54/411987154.db2.gz MESLSKSWCROQLU-RKDXNWHRSA-N -1 0 322.383 -0.895 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)O)C1)C(=O)[O-] ZINC000656007508 411987191 /nfs/dbraw/zinc/98/71/91/411987191.db2.gz GWPOLRJOVYOIHP-GARJFASQSA-N -1 0 316.354 -0.932 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1)C(=O)[O-] ZINC000656006379 411987346 /nfs/dbraw/zinc/98/73/46/411987346.db2.gz XMMWBZOMRXIHGO-NXEZZACHSA-N -1 0 308.338 -0.047 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCn2cnnc2[C@@H]1C)C(=O)[O-] ZINC000656012972 411988653 /nfs/dbraw/zinc/98/86/53/411988653.db2.gz KICSYXVTYWVCLU-VHSXEESVSA-N -1 0 323.353 -0.346 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])cc1 ZINC000656163070 411996915 /nfs/dbraw/zinc/99/69/15/411996915.db2.gz MOFZSUVOHWZYFW-SECBINFHSA-N -1 0 304.299 -0.123 20 0 DBADRM C[C@H]1CN(S(=O)(=O)NCc2nocc2C(=O)[O-])C[C@H](C)O1 ZINC000656164569 411996977 /nfs/dbraw/zinc/99/69/77/411996977.db2.gz MHDMGZCLDXKPKH-YUMQZZPRSA-N -1 0 319.339 -0.184 20 0 DBADRM CO[C@H](C[C@H](NS(=O)(=O)c1cnnn1C)C(=O)[O-])C1CC1 ZINC000656166431 411997255 /nfs/dbraw/zinc/99/72/55/411997255.db2.gz GVYBTAOUTFHPAJ-DTWKUNHWSA-N -1 0 318.355 -0.638 20 0 DBADRM COc1cccc(S(=O)(=O)N(CCO)CC(=O)[O-])c1F ZINC000656159184 411997506 /nfs/dbraw/zinc/99/75/06/411997506.db2.gz SAPCOWAQQNGPEE-UHFFFAOYSA-N -1 0 307.299 -0.098 20 0 DBADRM O=C([O-])[C@@H](CCF)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000656162087 411997559 /nfs/dbraw/zinc/99/75/59/411997559.db2.gz BHCDQAHCEUHTRT-WCBMZHEXSA-N -1 0 321.330 -0.064 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)NCc2nocc2C(=O)[O-])C[C@H](C)O1 ZINC000656164568 411997566 /nfs/dbraw/zinc/99/75/66/411997566.db2.gz MHDMGZCLDXKPKH-OCAPTIKFSA-N -1 0 319.339 -0.184 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])cc1 ZINC000656163071 411997633 /nfs/dbraw/zinc/99/76/33/411997633.db2.gz MOFZSUVOHWZYFW-VIFPVBQESA-N -1 0 304.299 -0.123 20 0 DBADRM C[C@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)CC2)C(=O)[O-] ZINC000656155970 411997662 /nfs/dbraw/zinc/99/76/62/411997662.db2.gz MVHUNDSUGQJGLO-MADCSZMMSA-N -1 0 313.331 -0.072 20 0 DBADRM COc1cccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1F ZINC000656156158 411997698 /nfs/dbraw/zinc/99/76/98/411997698.db2.gz XXGLRNHFOYLJMJ-ZCFIWIBFSA-N -1 0 320.298 -0.559 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](C[C@@H](OC)C1CC1)C(=O)[O-] ZINC000656169367 411999307 /nfs/dbraw/zinc/99/93/07/411999307.db2.gz OGMBIFNTVZNAPG-GHMZBOCLSA-N -1 0 324.399 -0.333 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000068688454 412020703 /nfs/dbraw/zinc/02/07/03/412020703.db2.gz QORQGTKJSZCKOC-QWRGUYRKSA-N -1 0 300.355 -0.046 20 0 DBADRM CCC1CCN(S(=O)(=O)NCCC(=O)NCC(=O)[O-])CC1 ZINC000656515565 412007200 /nfs/dbraw/zinc/00/72/00/412007200.db2.gz HWWMQYNAYSLGRA-UHFFFAOYSA-N -1 0 321.399 -0.466 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000656514051 412007240 /nfs/dbraw/zinc/00/72/40/412007240.db2.gz IVNLMHQOAHWMLH-DCAQKATOSA-N -1 0 309.384 -0.101 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CCOCC2)C[C@H]1CC(=O)[O-] ZINC000656525058 412007257 /nfs/dbraw/zinc/00/72/57/412007257.db2.gz YGSJEHSKKRADJS-WDEREUQCSA-N -1 0 306.384 -0.004 20 0 DBADRM COC1CCN(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1 ZINC000656517255 412007306 /nfs/dbraw/zinc/00/73/06/412007306.db2.gz MDMIJENOGNPCSJ-CABZTGNLSA-N -1 0 304.368 -0.252 20 0 DBADRM COC1CCN(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])CC1 ZINC000656515135 412007315 /nfs/dbraw/zinc/00/73/15/412007315.db2.gz LRVQPVVDFHDCML-JTQLQIEISA-N -1 0 324.399 -0.501 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCOCC2)C[C@@H]1CC(=O)[O-] ZINC000656525056 412007527 /nfs/dbraw/zinc/00/75/27/412007527.db2.gz YGSJEHSKKRADJS-MNOVXSKESA-N -1 0 306.384 -0.004 20 0 DBADRM C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000656509714 412007740 /nfs/dbraw/zinc/00/77/40/412007740.db2.gz XLRSEEFYNWVMSR-RITPCOANSA-N -1 0 320.289 -0.177 20 0 DBADRM C[C@H](O[C@@H](C)C(=O)NCc1nc(C(N)=O)cs1)C(=O)[O-] ZINC000656486137 412007859 /nfs/dbraw/zinc/00/78/59/412007859.db2.gz UHRYAUFXYHKIMV-WDSKDSINSA-N -1 0 301.324 -0.264 20 0 DBADRM COC1CCN(S(=O)(=O)NCc2nocc2C(=O)[O-])CC1 ZINC000656517774 412007882 /nfs/dbraw/zinc/00/78/82/412007882.db2.gz NSXNISLGUHARRP-UHFFFAOYSA-N -1 0 319.339 -0.182 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C)cc(C(N)=O)c1)C(=O)[O-] ZINC000656513328 412007938 /nfs/dbraw/zinc/00/79/38/412007938.db2.gz VYINSQKXMQTLMP-JTQLQIEISA-N -1 0 316.335 -0.528 20 0 DBADRM Nc1ccc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000656561017 412008578 /nfs/dbraw/zinc/00/85/78/412008578.db2.gz ACTHWAZNXXKKEZ-NOZJJQNGSA-N -1 0 312.347 -0.010 20 0 DBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000656562600 412008804 /nfs/dbraw/zinc/00/88/04/412008804.db2.gz KNLGVFVMTRQJBR-LBPRGKRZSA-N -1 0 316.335 -0.792 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CC[C@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC000656563706 412008822 /nfs/dbraw/zinc/00/88/22/412008822.db2.gz WKAWPOOPPGRXCI-GARJFASQSA-N -1 0 307.368 -0.226 20 0 DBADRM COCCOCCS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656563146 412008892 /nfs/dbraw/zinc/00/88/92/412008892.db2.gz YLBUHVQHYQAAHE-ZYHUDNBSSA-N -1 0 323.367 -0.988 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC000656562419 412009326 /nfs/dbraw/zinc/00/93/26/412009326.db2.gz JFBSGMWSHFEMKE-OUAUKWLOSA-N -1 0 323.367 -0.847 20 0 DBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)CCC[C@H]1CCOC1 ZINC000656563948 412009708 /nfs/dbraw/zinc/00/97/08/412009708.db2.gz ZAWUDBOHBKSIHO-QWRGUYRKSA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656563183 412009841 /nfs/dbraw/zinc/00/98/41/412009841.db2.gz ZZCWJNRDCKBLOG-HOSYDEDBSA-N -1 0 304.368 -0.252 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656564721 412010388 /nfs/dbraw/zinc/01/03/88/412010388.db2.gz WKZAZXYKCAVYTF-BXKDBHETSA-N -1 0 315.351 -0.550 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)CC[C@H]1CCOC1)C2 ZINC000656564536 412010765 /nfs/dbraw/zinc/01/07/65/412010765.db2.gz QGKSQDBDKUGNBA-NQBHXWOUSA-N -1 0 319.379 -0.224 20 0 DBADRM CO[C@H](CS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C1CC1 ZINC000656564433 412010980 /nfs/dbraw/zinc/01/09/80/412010980.db2.gz NBYBBSRZSMGTKX-NQBHXWOUSA-N -1 0 319.379 -0.226 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N2CC3CC2(C(=O)[O-])C3)C1 ZINC000656583143 412011117 /nfs/dbraw/zinc/01/11/17/412011117.db2.gz AWVDISOINRETHQ-XEVUQIKYSA-N -1 0 317.367 -0.721 20 0 DBADRM CO[C@H](CNC(=O)N[C@@]1(C(=O)[O-])CCOC1)[C@@H]1CCOC1 ZINC000656586317 412011203 /nfs/dbraw/zinc/01/12/03/412011203.db2.gz NHGOFMZOXUINQC-BREBYQMCSA-N -1 0 302.327 -0.419 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)CCC[C@@H]2CCOC2)CCOC1 ZINC000656564439 412011234 /nfs/dbraw/zinc/01/12/34/412011234.db2.gz NDGBINIQOWQHAL-PWSUYJOCSA-N -1 0 307.368 -0.034 20 0 DBADRM C[C@]12COC[C@H]1CN(S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)C2 ZINC000656728926 412011846 /nfs/dbraw/zinc/01/18/46/412011846.db2.gz LMKDREOKELLRQK-LOWVWBTDSA-N -1 0 318.395 -0.004 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])cn1 ZINC000656716012 412012238 /nfs/dbraw/zinc/01/22/38/412012238.db2.gz CVQSRTMPOHYCLT-KOLCDFICSA-N -1 0 315.351 -0.332 20 0 DBADRM CN(C[C@H]1COCCO1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000656720854 412012380 /nfs/dbraw/zinc/01/23/80/412012380.db2.gz DXBSOSXQUDQWGV-QWRGUYRKSA-N -1 0 322.383 -0.625 20 0 DBADRM C[C@]12COC[C@H]1CN(S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)C2 ZINC000656728928 412012434 /nfs/dbraw/zinc/01/24/34/412012434.db2.gz LMKDREOKELLRQK-WZRBSPASSA-N -1 0 318.395 -0.004 20 0 DBADRM COCC1(N(C)S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000656716304 412012499 /nfs/dbraw/zinc/01/24/99/412012499.db2.gz NXHIZNNTSLPNLJ-UHFFFAOYSA-N -1 0 303.340 -0.233 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000656716582 412012676 /nfs/dbraw/zinc/01/26/76/412012676.db2.gz HCSZLPGQCGFUMU-SVRRBLITSA-N -1 0 321.742 -0.162 20 0 DBADRM C[C@]12COC[C@@H]1CN(S(=O)(=O)c1cnn(CC(=O)[O-])c1)C2 ZINC000656727195 412012679 /nfs/dbraw/zinc/01/26/79/412012679.db2.gz GWFBUTWNVUFFBY-CABZTGNLSA-N -1 0 315.351 -0.375 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-]c1nc(N(C)C)n[nH]1)[C@@H]1CCOC1 ZINC000656736454 412012757 /nfs/dbraw/zinc/01/27/57/412012757.db2.gz AHJMSVKRMITQJR-RKDXNWHRSA-N -1 0 319.387 -0.336 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000656719797 412012775 /nfs/dbraw/zinc/01/27/75/412012775.db2.gz HCBDBXFBTMRGHI-TXEJJXNPSA-N -1 0 306.384 -0.004 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccccc2[O-])C1 ZINC000656942559 412018009 /nfs/dbraw/zinc/01/80/09/412018009.db2.gz HMUUQXXRFGZIPH-QMMMGPOBSA-N -1 0 306.365 -0.556 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])[C@H]1CO ZINC000659056760 412077131 /nfs/dbraw/zinc/07/71/31/412077131.db2.gz AKEFOMMYPRUGLF-SCZZXKLOSA-N -1 0 307.306 -0.052 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCN(C)C2=O)C(=O)[O-] ZINC000659060068 412077151 /nfs/dbraw/zinc/07/71/51/412077151.db2.gz HVICCYQGEXBDLN-MRVPVSSYSA-N -1 0 319.317 -0.158 20 0 DBADRM CCN(C(=O)C(=O)Nc1cccnc1C(=O)[O-])[C@@H]1CCNC1=O ZINC000659058960 412076326 /nfs/dbraw/zinc/07/63/26/412076326.db2.gz OTWYJCQMASOQRE-SECBINFHSA-N -1 0 320.305 -0.545 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659058836 412076447 /nfs/dbraw/zinc/07/64/47/412076447.db2.gz PBPANJQQQUBQGY-QMMMGPOBSA-N -1 0 322.321 -0.441 20 0 DBADRM CN(C(=O)C1CCN(S(C)(=O)=O)CC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659227992 412083116 /nfs/dbraw/zinc/08/31/16/412083116.db2.gz JJAMVALNLZEARP-PHIMTYICSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC000659234609 412083957 /nfs/dbraw/zinc/08/39/57/412083957.db2.gz ASJVXLQVIJLPRH-SKDRFNHKSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N[C@H](CO)C1CCC1 ZINC000659064204 412078082 /nfs/dbraw/zinc/07/80/82/412078082.db2.gz IWQYSAPWHKDVBD-SNVBAGLBSA-N -1 0 307.306 -0.005 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1)C(=O)[O-] ZINC000659063130 412078088 /nfs/dbraw/zinc/07/80/88/412078088.db2.gz RUZSPTQGSYRSKY-HQJQHLMTSA-N -1 0 321.289 -0.561 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C(=O)[O-] ZINC000659063583 412078262 /nfs/dbraw/zinc/07/82/62/412078262.db2.gz ADTANXFHJRCDPJ-RQJHMYQMSA-N -1 0 321.289 -0.066 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccc(F)cn1)C2 ZINC000659066701 412078716 /nfs/dbraw/zinc/07/87/16/412078716.db2.gz KUFVMUJRLCTJFG-XLKFXECMSA-N -1 0 323.280 -0.281 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)[O-] ZINC000659063581 412078761 /nfs/dbraw/zinc/07/87/61/412078761.db2.gz ADTANXFHJRCDPJ-RNFRBKRXSA-N -1 0 321.289 -0.066 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC000659066900 412078830 /nfs/dbraw/zinc/07/88/30/412078830.db2.gz PVWXTTATYNIQJU-MEBBXXQBSA-N -1 0 319.317 -0.112 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000659143836 412081115 /nfs/dbraw/zinc/08/11/15/412081115.db2.gz OLXNLPWDACFESW-DCQANWLSSA-N -1 0 310.350 -0.340 20 0 DBADRM CCCC[C@H](NC(=O)C1(n2cnnn2)CCOCC1)C(=O)[O-] ZINC000659143920 412081131 /nfs/dbraw/zinc/08/11/31/412081131.db2.gz XECHPHNZGNUUDE-JTQLQIEISA-N -1 0 311.342 -0.062 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C1(n2cnnn2)CCOCC1 ZINC000659156996 412081434 /nfs/dbraw/zinc/08/14/34/412081434.db2.gz OZEZJWYVJASUSK-SNVBAGLBSA-N -1 0 309.326 -0.356 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(C(=O)C2CC(C(=O)[O-])C2)CC1 ZINC000659191504 412081497 /nfs/dbraw/zinc/08/14/97/412081497.db2.gz XEMDHYBDPRFTCD-UHFFFAOYSA-N -1 0 319.383 -0.952 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000659146882 412081666 /nfs/dbraw/zinc/08/16/66/412081666.db2.gz VBZQCSALQOXOPQ-WDEREUQCSA-N -1 0 323.353 -0.062 20 0 DBADRM COC[C@@H](OC)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000659162588 412081798 /nfs/dbraw/zinc/08/17/98/412081798.db2.gz AOYMVPNUCIGKEU-MWLCHTKSSA-N -1 0 312.326 -0.199 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000659172968 412082066 /nfs/dbraw/zinc/08/20/66/412082066.db2.gz PYGCCXYLZQTULC-SMDDNHRTSA-N -1 0 324.308 -0.157 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CCC1 ZINC000659420657 412086593 /nfs/dbraw/zinc/08/65/93/412086593.db2.gz JHHGWSHISJIJDV-QMMMGPOBSA-N -1 0 310.310 -0.813 20 0 DBADRM Cc1noc(CCNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659395523 412086734 /nfs/dbraw/zinc/08/67/34/412086734.db2.gz QTHPSGCKBLGVLI-NOZJJQNGSA-N -1 0 310.310 -0.337 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCc1nnc(C3CC3)[nH]1)C2 ZINC000659404163 412087536 /nfs/dbraw/zinc/08/75/36/412087536.db2.gz COJXEWSZLHHIOF-YMTOWFKASA-N -1 0 321.337 -0.075 20 0 DBADRM CCn1ncnc1CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659403779 412087627 /nfs/dbraw/zinc/08/76/27/412087627.db2.gz UHAZBFMKFLLMGB-NOZJJQNGSA-N -1 0 309.326 -0.459 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)NCC2(C(=O)[O-])CCC2)CCO1 ZINC000659420318 412087683 /nfs/dbraw/zinc/08/76/83/412087683.db2.gz LLUCZZVCHWBWIJ-NSHDSACASA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCCNC(=O)C1CC1)C2 ZINC000659392587 412087727 /nfs/dbraw/zinc/08/77/27/412087727.db2.gz IJBJMJKTKRAUSZ-QMTHXVAHSA-N -1 0 311.338 -0.745 20 0 DBADRM COCCOCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659394950 412087873 /nfs/dbraw/zinc/08/78/73/412087873.db2.gz GYEPGCCVMBOGGZ-ZWNOBZJWSA-N -1 0 302.327 -0.608 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1ccco1)C2 ZINC000659643478 412096548 /nfs/dbraw/zinc/09/65/48/412096548.db2.gz AQOMYWPONAPVNG-YMTOWFKASA-N -1 0 308.290 -0.545 20 0 DBADRM Cc1noc(CCCNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC000659650871 412098495 /nfs/dbraw/zinc/09/84/95/412098495.db2.gz OSBIMFNGALXGFE-UHFFFAOYSA-N -1 0 324.337 -0.202 20 0 DBADRM C[C@H]1CCC[C@@H]1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659651701 412098728 /nfs/dbraw/zinc/09/87/28/412098728.db2.gz ZYOSATFIRDESID-BQVMBELUSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000659655462 412098733 /nfs/dbraw/zinc/09/87/33/412098733.db2.gz IZKBYZDODDUUHI-GHMZBOCLSA-N -1 0 300.355 -0.023 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@H]1CCSC1)C2 ZINC000659652535 412098933 /nfs/dbraw/zinc/09/89/33/412098933.db2.gz VKDDNEALYYDTFL-VYUIOLGVSA-N -1 0 314.363 -0.832 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCC(F)(F)F)C2 ZINC000659647657 412099072 /nfs/dbraw/zinc/09/90/72/412099072.db2.gz ZFBAIFZYPXRRKP-RDDDGLTNSA-N -1 0 324.255 -0.385 20 0 DBADRM CC(C)[C@H](C)CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659652756 412099381 /nfs/dbraw/zinc/09/93/81/412099381.db2.gz NRFOUPDLVVBFHT-UEKVPHQBSA-N -1 0 312.366 -0.046 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@H]1CC=CCC1)C2 ZINC000659652267 412099410 /nfs/dbraw/zinc/09/94/10/412099410.db2.gz IVQYJEAILXWQMG-JRPNMDOOSA-N -1 0 308.334 -0.229 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])CS1(=O)=O ZINC000659666314 412099774 /nfs/dbraw/zinc/09/97/74/412099774.db2.gz XGUYSYKCKQJVMD-BDAKNGLRSA-N -1 0 320.367 -0.999 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC000659663217 412100118 /nfs/dbraw/zinc/10/01/18/412100118.db2.gz DGASFCVWIJQGHK-SNVBAGLBSA-N -1 0 306.322 -0.623 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NCCO[C@@H]1CC1(F)F)C(=O)[O-] ZINC000659662919 412100153 /nfs/dbraw/zinc/10/01/53/412100153.db2.gz HRECWRIFZIJLJI-JGVFFNPUSA-N -1 0 308.281 -0.294 20 0 DBADRM CO[C@@H](C)CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000659664068 412100220 /nfs/dbraw/zinc/10/02/20/412100220.db2.gz OSOBEJHCEREOJP-VIFPVBQESA-N -1 0 302.327 -0.865 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCOC[C@H]2C2CC2)CCC1 ZINC000659667272 412100230 /nfs/dbraw/zinc/10/02/30/412100230.db2.gz JDOFZILGAAJOAK-NSHDSACASA-N -1 0 310.350 -0.005 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC000659663216 412100448 /nfs/dbraw/zinc/10/04/48/412100448.db2.gz DGASFCVWIJQGHK-JTQLQIEISA-N -1 0 306.322 -0.623 20 0 DBADRM C[C@H](CO)CCCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659656583 412100514 /nfs/dbraw/zinc/10/05/14/412100514.db2.gz KMBUELNXXRKSON-JTQLQIEISA-N -1 0 300.355 -0.118 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC000659656968 412100536 /nfs/dbraw/zinc/10/05/36/412100536.db2.gz ZAUNBFPEOCPZLE-UHFFFAOYSA-N -1 0 320.367 -0.949 20 0 DBADRM CC(C)(C)N1C[C@@H](CNC(=O)C(=O)NCCC(=O)[O-])CC1=O ZINC000659659401 412100669 /nfs/dbraw/zinc/10/06/69/412100669.db2.gz SQEYIZRGCYCRRT-SECBINFHSA-N -1 0 313.354 -0.660 20 0 DBADRM CCn1cc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)nn1 ZINC000659662721 412100683 /nfs/dbraw/zinc/10/06/83/412100683.db2.gz VQFWOHHIUNLPCD-JTQLQIEISA-N -1 0 311.342 -0.613 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)nn1 ZINC000659665866 412100701 /nfs/dbraw/zinc/10/07/01/412100701.db2.gz YLPCYNPLSGRKPM-SNVBAGLBSA-N -1 0 323.353 -0.373 20 0 DBADRM Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)C(=O)NCCC(=O)[O-])cn1 ZINC000659658061 412100714 /nfs/dbraw/zinc/10/07/14/412100714.db2.gz FBBUICJKAKEBAI-RYUDHWBXSA-N -1 0 322.365 -0.162 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)n2ncnc21)C(=O)[O-] ZINC000659661395 412100734 /nfs/dbraw/zinc/10/07/34/412100734.db2.gz ISUMIOGVBANSJY-LPEHRKFASA-N -1 0 323.353 -0.127 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@]3(CCOC3)C2)CCC1 ZINC000659668796 412101690 /nfs/dbraw/zinc/10/16/90/412101690.db2.gz NCVNLRVIAZLNGC-AWEZNQCLSA-N -1 0 310.350 -0.004 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659670972 412102053 /nfs/dbraw/zinc/10/20/53/412102053.db2.gz XDSBBSXFVSIXPD-UHFFFAOYSA-N -1 0 313.354 -0.754 20 0 DBADRM CCN(Cc1cn(C)nn1)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659669556 412102235 /nfs/dbraw/zinc/10/22/35/412102235.db2.gz UBTGOYIMDCRWMT-UHFFFAOYSA-N -1 0 323.353 -0.465 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)c2cccc(OCC(=O)[O-])c2)CCO1 ZINC000659760819 412122615 /nfs/dbraw/zinc/12/26/15/412122615.db2.gz UFMVVWNWWQSDFR-LBPRGKRZSA-N -1 0 322.317 -0.263 20 0 DBADRM CN(CCC(=O)[O-])C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000659761556 412122677 /nfs/dbraw/zinc/12/26/77/412122677.db2.gz BLUSNTKYMALQCG-UONOGXRCSA-N -1 0 321.333 -0.087 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CCNC(=O)c1ccco1)C2 ZINC000659777546 412122783 /nfs/dbraw/zinc/12/27/83/412122783.db2.gz CTSXEVGNFGIVHM-MEBBXXQBSA-N -1 0 322.317 -0.041 20 0 DBADRM CCN1CCN(CC(=O)NCC2(C(=O)[O-])CCC2)C(=O)C1=O ZINC000659785800 412124220 /nfs/dbraw/zinc/12/42/20/412124220.db2.gz VOGMNBXCVPORTD-UHFFFAOYSA-N -1 0 311.338 -0.952 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659780308 412124954 /nfs/dbraw/zinc/12/49/54/412124954.db2.gz LOONBRBGXWPHTR-NOZJJQNGSA-N -1 0 319.379 -0.241 20 0 DBADRM CCOc1cc(N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])nc(C)n1 ZINC000662880808 412207067 /nfs/dbraw/zinc/20/70/67/412207067.db2.gz CIYPHLRXFOPOJC-MRVPVSSYSA-N -1 0 320.309 -0.046 20 0 DBADRM Cn1c(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)nc2c1c(=O)[nH]c(=O)n2C ZINC000662896101 412208675 /nfs/dbraw/zinc/20/86/75/412208675.db2.gz JXUGURMKOZNPLT-FSDSQADBSA-N -1 0 323.309 -0.991 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)[C@@H](Nc2cc(N3CCOCC3)ncn2)C1 ZINC000662896168 412208680 /nfs/dbraw/zinc/20/86/80/412208680.db2.gz KNEBUWYAYZCKHZ-DCAQKATOSA-N -1 0 308.338 -0.051 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3CCC[C@H]31)C2 ZINC000662903741 412208717 /nfs/dbraw/zinc/20/87/17/412208717.db2.gz GHUUBYMOQXMTJA-XSUJLISDSA-N -1 0 322.361 -0.053 20 0 DBADRM CNS(=O)(=O)c1ccc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)nc1 ZINC000662897894 412208722 /nfs/dbraw/zinc/20/87/22/412208722.db2.gz YZJBBLMJIGAQDC-SFGNSQDASA-N -1 0 315.351 -0.374 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)[C@H](Nc2cc(N3CCOCC3)ncn2)C1 ZINC000662896171 412208896 /nfs/dbraw/zinc/20/88/96/412208896.db2.gz KNEBUWYAYZCKHZ-HBNTYKKESA-N -1 0 308.338 -0.051 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)[C@@H](Nc2nccc(N3CCOCC3)n2)C1 ZINC000662896282 412209022 /nfs/dbraw/zinc/20/90/22/412209022.db2.gz JIHJLGDGYCXHRU-DCAQKATOSA-N -1 0 308.338 -0.051 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1ccc(C(=O)NCCO)nn1 ZINC000662892243 412209102 /nfs/dbraw/zinc/20/91/02/412209102.db2.gz CBLDPXWYLJWYQY-NXEZZACHSA-N -1 0 308.338 -0.112 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](Nc2nccc(N3CCOCC3)n2)[C@@H](O)C1 ZINC000662896280 412209131 /nfs/dbraw/zinc/20/91/31/412209131.db2.gz JIHJLGDGYCXHRU-AXFHLTTASA-N -1 0 308.338 -0.051 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(c2cccc(C(=O)[O-])n2)CC1 ZINC000662886652 412209167 /nfs/dbraw/zinc/20/91/67/412209167.db2.gz JDHGVGXSJRTHAT-UHFFFAOYSA-N -1 0 314.367 -0.292 20 0 DBADRM CN(Cc1ccon1)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662905153 412209621 /nfs/dbraw/zinc/20/96/21/412209621.db2.gz AMGFLEPRSXPOSA-YMTOWFKASA-N -1 0 323.305 -0.807 20 0 DBADRM Cn1c(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)nc2c1c(=O)[nH]c(=O)n2C ZINC000662896109 412209650 /nfs/dbraw/zinc/20/96/50/412209650.db2.gz JXUGURMKOZNPLT-XVMARJQXSA-N -1 0 323.309 -0.991 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@H]1C ZINC000662904854 412210054 /nfs/dbraw/zinc/21/00/54/412210054.db2.gz TUQDULFZIFZGBF-JNIYBQFBSA-N -1 0 310.350 -0.340 20 0 DBADRM CC(C)[C@H]1CCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662907781 412210524 /nfs/dbraw/zinc/21/05/24/412210524.db2.gz GBSFSPBQCMNHMZ-UEKVPHQBSA-N -1 0 310.350 -0.197 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3COC[C@@H]3C2)C1 ZINC000662913944 412210682 /nfs/dbraw/zinc/21/06/82/412210682.db2.gz NWIYMKAEDSFMFR-WOPDTQHZSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@]12COC[C@]1(C)CN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)C2 ZINC000662911470 412210891 /nfs/dbraw/zinc/21/08/91/412210891.db2.gz DUOZIWROSKMHNS-KMUNFCNLSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC3(C1)CCCC3)C2 ZINC000662908025 412211184 /nfs/dbraw/zinc/21/11/84/412211184.db2.gz UEIHGPKPEICZOA-BDJLRTHQSA-N -1 0 322.361 -0.051 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N(C)C[C@@H]1COCCO1)C(=O)[O-] ZINC000662913078 412211334 /nfs/dbraw/zinc/21/13/34/412211334.db2.gz JTASQKFJTWUKGQ-NXEZZACHSA-N -1 0 302.327 -0.961 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[C@H]2C(=O)[O-])CC1 ZINC000132887218 412211415 /nfs/dbraw/zinc/21/14/15/412211415.db2.gz KLJIFZFBPFCCLM-NXEZZACHSA-N -1 0 304.368 -0.409 20 0 DBADRM C[C@]1(C(F)F)CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CCO1 ZINC000662913521 412211419 /nfs/dbraw/zinc/21/14/19/412211419.db2.gz LZAPHXBBUFNQIM-ISVAXAHUSA-N -1 0 320.292 -0.198 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCCC3(CC3)C1)C2 ZINC000662906612 412211435 /nfs/dbraw/zinc/21/14/35/412211435.db2.gz MZXDWDWNFQMDLO-BDJLRTHQSA-N -1 0 322.361 -0.051 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](C3CC3)C1)C2 ZINC000662907759 412211633 /nfs/dbraw/zinc/21/16/33/412211633.db2.gz XIGVNCRQZMWFFH-XHBSWPGZSA-N -1 0 322.361 -0.196 20 0 DBADRM CN(CC1=CCSC1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000662912459 412211644 /nfs/dbraw/zinc/21/16/44/412211644.db2.gz GRFYHTAQTYZOQC-JTQLQIEISA-N -1 0 314.363 -0.570 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)[C@@H]1CCO ZINC000662915955 412212049 /nfs/dbraw/zinc/21/20/49/412212049.db2.gz PWRUJQAKRYNMCE-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000662914425 412212293 /nfs/dbraw/zinc/21/22/93/412212293.db2.gz RJADWRBELFMIOX-JTQLQIEISA-N -1 0 309.326 -0.940 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)Cc1n[n-]c(=O)o1 ZINC000660849763 412148088 /nfs/dbraw/zinc/14/80/88/412148088.db2.gz FGYUXXKTDCMZSP-BDAKNGLRSA-N -1 0 311.342 -0.681 20 0 DBADRM NC(=O)[C@H]1Cc2ccccc2N([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662202654 412171862 /nfs/dbraw/zinc/17/18/62/412171862.db2.gz NZKZNCQLBXXBCQ-WCQYABFASA-N -1 0 317.345 -0.164 20 0 DBADRM Cn1ccnc1-c1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)n[nH]1 ZINC000576226618 412281277 /nfs/dbraw/zinc/28/12/77/412281277.db2.gz NOYGPXHLENDLNN-DTWKUNHWSA-N -1 0 305.294 0.381 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)NC2(C(=O)[O-])CCCC2)C1 ZINC000663021410 412223197 /nfs/dbraw/zinc/22/31/97/412223197.db2.gz NDKCGDQCBPRMMO-SECBINFHSA-N -1 0 319.383 -0.585 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000663026634 412223944 /nfs/dbraw/zinc/22/39/44/412223944.db2.gz PJBIOOWMGUDLLC-SECBINFHSA-N -1 0 307.372 -0.777 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000663043914 412224031 /nfs/dbraw/zinc/22/40/31/412224031.db2.gz JVQZGPZVAQGHLK-OTYXRUKQSA-N -1 0 324.337 -0.479 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000663025573 412224036 /nfs/dbraw/zinc/22/40/36/412224036.db2.gz ASDCZGWHHZDFLU-QMMMGPOBSA-N -1 0 308.356 -0.984 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C1(C(=O)[O-])CC=CC1 ZINC000663051052 412224045 /nfs/dbraw/zinc/22/40/45/412224045.db2.gz KYPQDQWFRULIII-SNVBAGLBSA-N -1 0 316.379 -0.052 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CC1 ZINC000663029858 412224084 /nfs/dbraw/zinc/22/40/84/412224084.db2.gz CVGIRQFPRCREFT-LLVKDONJSA-N -1 0 318.395 -0.019 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000663025572 412224235 /nfs/dbraw/zinc/22/42/35/412224235.db2.gz ASDCZGWHHZDFLU-MRVPVSSYSA-N -1 0 308.356 -0.984 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000663043915 412224316 /nfs/dbraw/zinc/22/43/16/412224316.db2.gz JVQZGPZVAQGHLK-XPTSAGLGSA-N -1 0 324.337 -0.479 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CC1 ZINC000663040856 412224438 /nfs/dbraw/zinc/22/44/38/412224438.db2.gz SDPFNGKECRXILX-CYBMUJFWSA-N -1 0 311.382 -0.232 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1cncc(-n2ccnn2)c1 ZINC000663028133 412224442 /nfs/dbraw/zinc/22/44/42/412224442.db2.gz QVFURJGNFNPSCF-NSHDSACASA-N -1 0 303.278 -0.412 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000663033685 412224502 /nfs/dbraw/zinc/22/45/02/412224502.db2.gz CYZPFVSLHVCITB-LHLIQPBNSA-N -1 0 312.244 -0.245 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000663028495 412224607 /nfs/dbraw/zinc/22/46/07/412224607.db2.gz VQXAXIHQJORLSR-SNVBAGLBSA-N -1 0 314.319 -0.740 20 0 DBADRM COCCCOCCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000663053552 412225094 /nfs/dbraw/zinc/22/50/94/412225094.db2.gz DAMHNZCTMVQSDP-SNVBAGLBSA-N -1 0 323.367 -0.860 20 0 DBADRM C[C@@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C[C@@H]1C(=O)[O-] ZINC000663059789 412225308 /nfs/dbraw/zinc/22/53/08/412225308.db2.gz XNGBBUYRAHSBJL-MNOVXSKESA-N -1 0 323.353 -0.252 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000663074395 412225417 /nfs/dbraw/zinc/22/54/17/412225417.db2.gz CYZPFKMCVAAUMY-QMTHXVAHSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@H](CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])[C@@H]1CCCO1 ZINC000663053532 412225470 /nfs/dbraw/zinc/22/54/70/412225470.db2.gz CVELXSZZBQHIRL-VWYCJHECSA-N -1 0 319.379 -0.098 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000663061377 412225513 /nfs/dbraw/zinc/22/55/13/412225513.db2.gz SNUFRVVLXCLKFW-LPEHRKFASA-N -1 0 319.383 -0.729 20 0 DBADRM C[C@H](CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])[C@@H]1CCCO1 ZINC000663053530 412225525 /nfs/dbraw/zinc/22/55/25/412225525.db2.gz CVELXSZZBQHIRL-MXWKQRLJSA-N -1 0 319.379 -0.098 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000663063636 412225530 /nfs/dbraw/zinc/22/55/30/412225530.db2.gz LXBMELAOYQWYPS-LLVKDONJSA-N -1 0 310.372 -0.690 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000663074547 412225577 /nfs/dbraw/zinc/22/55/77/412225577.db2.gz MUGUGQGDXWXNFH-CQSZACIVSA-N -1 0 322.321 -0.554 20 0 DBADRM CO[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C1CCC1 ZINC000663053834 412225654 /nfs/dbraw/zinc/22/56/54/412225654.db2.gz FUCBJTQVABGUGB-NXEZZACHSA-N -1 0 305.352 -0.488 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000663127171 412226260 /nfs/dbraw/zinc/22/62/60/412226260.db2.gz HQJKRFQKINLWKR-XFWSIPNHSA-N -1 0 305.352 -0.585 20 0 DBADRM CCN(C(=O)C1CCN(S(N)(=O)=O)CC1)[C@@H](C)C(=O)[O-] ZINC000663123827 412226368 /nfs/dbraw/zinc/22/63/68/412226368.db2.gz IVUKINSYFLFNFZ-QMMMGPOBSA-N -1 0 307.372 -0.777 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000663095407 412226570 /nfs/dbraw/zinc/22/65/70/412226570.db2.gz ZJFBCDBBNKQDBT-LBPRGKRZSA-N -1 0 322.383 -0.688 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)[C@H](C(=O)[O-])C3CC3)C2=O)cn1 ZINC000663083211 412226593 /nfs/dbraw/zinc/22/65/93/412226593.db2.gz JPOFJYQTMGJPFL-GHMZBOCLSA-N -1 0 306.322 -0.248 20 0 DBADRM O=C([O-])[C@H](C(=O)NCCS(=O)(=O)NCC1CCC1)C1CC1 ZINC000663094237 412226614 /nfs/dbraw/zinc/22/66/14/412226614.db2.gz ILCUKNJSHWSLSK-NSHDSACASA-N -1 0 318.395 -0.067 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N(CC(=O)[O-])CC2CC2)C1 ZINC000663119268 412226725 /nfs/dbraw/zinc/22/67/25/412226725.db2.gz KKUZGWCOBXOBKI-SNVBAGLBSA-N -1 0 319.383 -0.775 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000663082310 412226869 /nfs/dbraw/zinc/22/68/69/412226869.db2.gz SUYUUCCACJODMM-CYBMUJFWSA-N -1 0 310.310 -0.410 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000663100148 412226884 /nfs/dbraw/zinc/22/68/84/412226884.db2.gz GZXKKWVHSTXMST-UFBFGSQYSA-N -1 0 304.368 -0.363 20 0 DBADRM CN(C1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1)S(C)(=O)=O ZINC000663096353 412226902 /nfs/dbraw/zinc/22/69/02/412226902.db2.gz LKUHWIBLVQYOOB-NSHDSACASA-N -1 0 318.395 -0.020 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)[C@@H](C(=O)[O-])C3CC3)CCN2C1=O ZINC000663090133 412226956 /nfs/dbraw/zinc/22/69/56/412226956.db2.gz RABCFIOZSGNMRQ-ZJUUUORDSA-N -1 0 309.322 -0.408 20 0 DBADRM CCN(CCCNC(=O)[C@](C)(OC)C(=O)[O-])S(C)(=O)=O ZINC000663093967 412226968 /nfs/dbraw/zinc/22/69/68/412226968.db2.gz DEUDCHCCPUFSDY-NSHDSACASA-N -1 0 310.372 -0.736 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000663127861 412227379 /nfs/dbraw/zinc/22/73/79/412227379.db2.gz UKYBXHLLMXVSSA-OPQQBVKSSA-N -1 0 317.363 -0.274 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC000663136516 412227397 /nfs/dbraw/zinc/22/73/97/412227397.db2.gz HPHHLDPZCQZSSP-IINYFYTJSA-N -1 0 313.354 -0.118 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)C(N)=O ZINC000663142035 412227472 /nfs/dbraw/zinc/22/74/72/412227472.db2.gz UXFAUCGADCXESL-XHDPSFHLSA-N -1 0 321.333 -0.517 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1ccc3nnnn3c1)C2 ZINC000663129617 412227570 /nfs/dbraw/zinc/22/75/70/412227570.db2.gz NXJPUHYTYXTTAK-NOZJJQNGSA-N -1 0 303.278 -0.703 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000663127382 412227876 /nfs/dbraw/zinc/22/78/76/412227876.db2.gz LGJRPYQWHDIFDG-DJLDLDEBSA-N -1 0 307.368 -0.339 20 0 DBADRM Cc1nn(CC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c(=O)n1C ZINC000663128347 412227913 /nfs/dbraw/zinc/22/79/13/412227913.db2.gz KFIBAHSPNHSBEB-UHFFFAOYSA-N -1 0 322.325 -0.455 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1ccnc3c1CC(=O)N3)C2 ZINC000663129695 412228037 /nfs/dbraw/zinc/22/80/37/412228037.db2.gz QFXBEDMMNFEJJZ-ANRSDYALSA-N -1 0 317.301 -0.251 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)NC1(C(=O)[O-])CCOCC1 ZINC000663143473 412228065 /nfs/dbraw/zinc/22/80/65/412228065.db2.gz AIEJLGUNDLDEQY-UHFFFAOYSA-N -1 0 324.337 -0.869 20 0 DBADRM CN1CC[C@@H](C(=O)NC[C@H](C(=O)[O-])C2CCC2)S1(=O)=O ZINC000663153467 412228687 /nfs/dbraw/zinc/22/86/87/412228687.db2.gz LKARIDCFBASAOZ-UWVGGRQHSA-N -1 0 304.368 -0.363 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)[C@@]23CCC(=O)N2CCS3)n1 ZINC000663145100 412228981 /nfs/dbraw/zinc/22/89/81/412228981.db2.gz UYCPIQFFZSJOEH-LBPRGKRZSA-N -1 0 310.335 -0.028 20 0 DBADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CN1CC(=O)NC1=O ZINC000663145248 412229140 /nfs/dbraw/zinc/22/91/40/412229140.db2.gz WFSRGYPZXUYPSQ-CYBMUJFWSA-N -1 0 317.301 -0.251 20 0 DBADRM CC[C@]1(C2CC2)NC(=O)N([C@@H]2CCN(CC(=O)[O-])C2=O)C1=O ZINC000663218891 412229474 /nfs/dbraw/zinc/22/94/74/412229474.db2.gz DNEZCIPOGNBUSS-YMTOWFKASA-N -1 0 309.322 -0.218 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NC[C@H](C(=O)[O-])C2CCC2)C1=O ZINC000663148112 412229612 /nfs/dbraw/zinc/22/96/12/412229612.db2.gz RAJGCYVQKYSZCO-VIFPVBQESA-N -1 0 311.338 -0.066 20 0 DBADRM O=C([O-])[C@H]1N(S(=O)(=O)[C@@H]2CCOC2)CC12CCOCC2 ZINC000663287595 412230152 /nfs/dbraw/zinc/23/01/52/412230152.db2.gz KRXBAHHEKBAILM-NXEZZACHSA-N -1 0 305.352 -0.329 20 0 DBADRM O=C([O-])[C@H]1N(C(=O)N2CCS(=O)(=O)CC2)CC12CCC2 ZINC000663290033 412230223 /nfs/dbraw/zinc/23/02/23/412230223.db2.gz TYQQCRCXISTZJX-SECBINFHSA-N -1 0 302.352 -0.224 20 0 DBADRM C[C@](NC(=O)CN1CCNCC1=O)(C(=O)[O-])c1ccccc1 ZINC000663278970 412230343 /nfs/dbraw/zinc/23/03/43/412230343.db2.gz CVIWQXCRGGNWQN-OAHLLOKOSA-N -1 0 305.334 -0.466 20 0 DBADRM O=C([O-])[C@H]1N(S(=O)(=O)N2CCOCC2)CC12CCOCC2 ZINC000663287679 412230730 /nfs/dbraw/zinc/23/07/30/412230730.db2.gz KWQVVINSZXPDFE-SNVBAGLBSA-N -1 0 320.367 -0.871 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC2(CCOCC2)[C@@H]1C(=O)[O-] ZINC000663287705 412230782 /nfs/dbraw/zinc/23/07/82/412230782.db2.gz LBMKRBREIIBQBO-JTQLQIEISA-N -1 0 322.383 -0.625 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCC1CC1)C2 ZINC000663254131 412230910 /nfs/dbraw/zinc/23/09/10/412230910.db2.gz ZSEUXUVTSBYXQH-JTQLQIEISA-N -1 0 314.367 -0.015 20 0 DBADRM C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(C(=O)N1CCS(=O)(=O)CC1)C2 ZINC000663292203 412231097 /nfs/dbraw/zinc/23/10/97/412231097.db2.gz QDGFGMIFLVZSSX-PTRXPTGYSA-N -1 0 302.352 -0.368 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@@H]3COC[C@H]3C2)cn1 ZINC000663442549 412231895 /nfs/dbraw/zinc/23/18/95/412231895.db2.gz BLYOPNUMHHTXTF-NXEZZACHSA-N -1 0 315.351 -0.375 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@@H]3COC[C@@H]3C2)cn1 ZINC000663442552 412232419 /nfs/dbraw/zinc/23/24/19/412232419.db2.gz BLYOPNUMHHTXTF-ZJUUUORDSA-N -1 0 315.351 -0.375 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)oc1C(=O)[O-] ZINC000663419141 412232452 /nfs/dbraw/zinc/23/24/52/412232452.db2.gz PDDHFNYMRNZTQX-ZETCQYMHSA-N -1 0 323.348 -0.248 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Nc2ccnc(OCCO)c2)CCO1 ZINC000663358637 412233090 /nfs/dbraw/zinc/23/30/90/412233090.db2.gz LNAXTWUCHHBCMI-SNVBAGLBSA-N -1 0 311.294 -0.230 20 0 DBADRM C[C@]1(CO)CCCN1C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663634289 412236326 /nfs/dbraw/zinc/23/63/26/412236326.db2.gz MLYYDDZOXQQSTD-XHDPSFHLSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NCCn1cccn1)C1CCC1 ZINC000663619807 412236583 /nfs/dbraw/zinc/23/65/83/412236583.db2.gz KCPPHBTVEUUVBT-NSHDSACASA-N -1 0 308.338 -0.384 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663631725 412236625 /nfs/dbraw/zinc/23/66/25/412236625.db2.gz WTDSRLWBQAXGGW-LBPRGKRZSA-N -1 0 322.365 -0.004 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663631724 412236678 /nfs/dbraw/zinc/23/66/78/412236678.db2.gz WTDSRLWBQAXGGW-GFCCVEGCSA-N -1 0 322.365 -0.004 20 0 DBADRM O=C(CN1CCOC[C@H]1C(=O)[O-])NCCOc1ccccc1 ZINC000316274263 412236704 /nfs/dbraw/zinc/23/67/04/412236704.db2.gz XIPRDMKGEKQMST-ZDUSSCGKSA-N -1 0 308.334 -0.033 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663624827 412236864 /nfs/dbraw/zinc/23/68/64/412236864.db2.gz RWPRCRKNXOEXQQ-GXSJLCMTSA-N -1 0 323.353 -0.600 20 0 DBADRM C[C@@]1(C(F)F)CN(C(=O)C(=O)NCCCC(=O)[O-])CCO1 ZINC000663627420 412236957 /nfs/dbraw/zinc/23/69/57/412236957.db2.gz IJCAJDZMWYTOMA-LBPRGKRZSA-N -1 0 308.281 -0.150 20 0 DBADRM CCn1cc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)nn1 ZINC000663629471 412237014 /nfs/dbraw/zinc/23/70/14/412237014.db2.gz MCNADVWBGFZEGO-LLVKDONJSA-N -1 0 323.353 -0.469 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)n1 ZINC000663626187 412237178 /nfs/dbraw/zinc/23/71/78/412237178.db2.gz XQCKBJCZGLKOEU-GFCCVEGCSA-N -1 0 322.365 -0.304 20 0 DBADRM Cc1c(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)cnn1C ZINC000663622070 412237220 /nfs/dbraw/zinc/23/72/20/412237220.db2.gz HDYPOTPPFQMUCO-GFCCVEGCSA-N -1 0 322.365 -0.038 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663620046 412237277 /nfs/dbraw/zinc/23/72/77/412237277.db2.gz HVRFGQWFZYJQLC-NSHDSACASA-N -1 0 308.338 -0.049 20 0 DBADRM CN(CCCCO)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663636929 412237755 /nfs/dbraw/zinc/23/77/55/412237755.db2.gz VUVQVPXLFYBYSG-NSHDSACASA-N -1 0 300.355 -0.166 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663637848 412237758 /nfs/dbraw/zinc/23/77/58/412237758.db2.gz JJYDOAWCUWYQEA-WCQGTBRESA-N -1 0 312.366 -0.167 20 0 DBADRM Cn1[n-]c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1=O ZINC000665470958 412367042 /nfs/dbraw/zinc/36/70/42/412367042.db2.gz CSFWCOFTUDESQA-UHFFFAOYSA-N -1 0 307.354 -0.838 20 0 DBADRM NC(=O)NCc1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC000362606418 412330198 /nfs/dbraw/zinc/33/01/98/412330198.db2.gz OJSHTTKIIQWYGM-UHFFFAOYSA-N -1 0 317.305 0.388 20 0 DBADRM NS(=O)(=O)CCCS(=O)(=O)[N-]c1cc2ccccn2n1 ZINC000349452150 412334881 /nfs/dbraw/zinc/33/48/81/412334881.db2.gz OAHWANKZAWJNSO-UHFFFAOYSA-N -1 0 318.380 -0.245 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)Nc2ccn(C)n2)C1=O ZINC000417755869 412349862 /nfs/dbraw/zinc/34/98/62/412349862.db2.gz MCRCWVHUVXTKFP-GXSJLCMTSA-N -1 0 323.353 0.252 20 0 DBADRM COC(=O)C(C)(C)n1ccc(NC(=O)c2cc(=O)n(C)[n-]2)n1 ZINC000598258827 412357526 /nfs/dbraw/zinc/35/75/26/412357526.db2.gz AHZZESSOADUFQZ-UHFFFAOYSA-N -1 0 307.310 0.483 20 0 DBADRM COC(=O)C(C)(C)n1ccc(NC(=O)[C@](C)(OC)C(=O)[O-])n1 ZINC000595998206 412357816 /nfs/dbraw/zinc/35/78/16/412357816.db2.gz UEEDPYYQCPKOBK-ZDUSSCGKSA-N -1 0 313.310 0.219 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)nn1C ZINC000581666795 412363727 /nfs/dbraw/zinc/36/37/27/412363727.db2.gz AUXWCPALSWFUKO-WPRPVWTQSA-N -1 0 308.338 0.236 20 0 DBADRM O=C([O-])[C@H](CNC(=O)NCCNC(=O)c1ccn[nH]1)C1CCC1 ZINC000665309505 412304433 /nfs/dbraw/zinc/30/44/33/412304433.db2.gz VMLDBGVNYGDKIH-SNVBAGLBSA-N -1 0 323.353 -0.060 20 0 DBADRM O=C(Nc1nnn[n-]1)c1nc2ncc(Br)cn2n1 ZINC000342852710 412411679 /nfs/dbraw/zinc/41/16/79/412411679.db2.gz PLTJKPDUOGMTLQ-UHFFFAOYSA-N -1 0 310.075 -0.348 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)C(=O)Nc1cc(C)on1 ZINC000643850478 412416611 /nfs/dbraw/zinc/41/66/11/412416611.db2.gz SORJHFVFSLPZPE-ZDUSSCGKSA-N -1 0 311.294 0.014 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)c2ccccc2-n2cnnn2)n1 ZINC000362603101 412417165 /nfs/dbraw/zinc/41/71/65/412417165.db2.gz LXIRBKCNOVQEGQ-UHFFFAOYSA-N -1 0 313.277 0.196 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)c2sccc2-n2cnnn2)n1 ZINC000362599189 412417343 /nfs/dbraw/zinc/41/73/43/412417343.db2.gz AHWBRKFZVBMOHZ-UHFFFAOYSA-N -1 0 319.306 0.257 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)n1 ZINC000362606507 412417646 /nfs/dbraw/zinc/41/76/46/412417646.db2.gz PBOMNODBLXAWPI-UHFFFAOYSA-N -1 0 313.277 0.196 20 0 DBADRM CCOC(=O)Cc1nnc(NC(=O)NC[C@H](C)C(=O)[O-])s1 ZINC000593956273 412421086 /nfs/dbraw/zinc/42/10/86/412421086.db2.gz JCAPQIXCGSESDZ-LURJTMIESA-N -1 0 316.339 0.486 20 0 DBADRM CCS(=O)(=O)NCCCNc1ccc(C(=O)[O-])c(OC)n1 ZINC000580201612 412440330 /nfs/dbraw/zinc/44/03/30/412440330.db2.gz WWICYGJTUGODKR-UHFFFAOYSA-N -1 0 317.367 0.530 20 0 DBADRM COc1ccc(NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])nn1 ZINC000424437371 412441365 /nfs/dbraw/zinc/44/13/65/412441365.db2.gz NTSYDVKQEXZJPG-VIFPVBQESA-N -1 0 324.337 0.287 20 0 DBADRM Cc1nc(NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])nn1C ZINC000424441227 412454500 /nfs/dbraw/zinc/45/45/00/412454500.db2.gz YQAMNSUMCVYLSF-VIFPVBQESA-N -1 0 311.342 -0.075 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1ncncc1C(=O)[O-] ZINC000579838324 412460353 /nfs/dbraw/zinc/46/03/53/412460353.db2.gz QTNFJOUWZOIHOE-PSASIEDQSA-N -1 0 314.367 0.305 20 0 DBADRM Cc1sc(NC[C@]2(O)CCS(=O)(=O)C2)nc1C(=O)[O-] ZINC000578511377 412467239 /nfs/dbraw/zinc/46/72/39/412467239.db2.gz OVKISXFRZKLNCP-SNVBAGLBSA-N -1 0 306.365 0.111 20 0 DBADRM Cn1c(NCCC(C)(C)C(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000424376126 412468048 /nfs/dbraw/zinc/46/80/48/412468048.db2.gz OOXDTNSMCYVPCM-UHFFFAOYSA-N -1 0 309.326 0.285 20 0 DBADRM Cn1ccc(NC(=O)CN=c2[n-]c(C3CCOCC3)no2)n1 ZINC000644877418 412474323 /nfs/dbraw/zinc/47/43/23/412474323.db2.gz XPPZILZTNPPTLF-UHFFFAOYSA-N -1 0 306.326 0.170 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N=c2[n-]nc(C(F)F)s2)n1 ZINC000557570192 412478592 /nfs/dbraw/zinc/47/85/92/412478592.db2.gz LUMOMUSOECYXTL-UHFFFAOYSA-N -1 0 316.297 -0.017 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N=c2[n-]nc(C3CC3)s2)n1 ZINC000584238726 412479327 /nfs/dbraw/zinc/47/93/27/412479327.db2.gz VJIWUUZUJKVDBO-UHFFFAOYSA-N -1 0 306.355 -0.077 20 0 DBADRM CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)N(C)CCC(=O)OC ZINC000367882510 287351575 /nfs/dbraw/zinc/35/15/75/287351575.db2.gz DFAACZXYFHGLEY-NXEZZACHSA-N -1 0 322.383 -0.089 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)c1ccc(C(=O)[O-])cn1 ZINC000390413169 418942186 /nfs/dbraw/zinc/94/21/86/418942186.db2.gz WYDBMSATXOAGIG-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM C[C@@H]([C@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-])C1CC1 ZINC000558686232 418943753 /nfs/dbraw/zinc/94/37/53/418943753.db2.gz XSIULSCMKWVBGJ-SCZZXKLOSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CC[C@H]2CCOC2)C[C@H](C(=O)[O-])O1 ZINC000650446821 418946788 /nfs/dbraw/zinc/94/67/88/418946788.db2.gz LMOYPLYBHKBGRW-GMTAPVOTSA-N -1 0 307.368 -0.083 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000650445320 418946921 /nfs/dbraw/zinc/94/69/21/418946921.db2.gz CARHNOQQTRGETE-RKDXNWHRSA-N -1 0 303.340 -0.409 20 0 DBADRM NC(=O)CCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000666398473 418982758 /nfs/dbraw/zinc/98/27/58/418982758.db2.gz HSCOLNOFADBRCC-UHFFFAOYSA-N -1 0 301.324 -0.965 20 0 DBADRM CC(C)(CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(N)=O ZINC000666611235 418984810 /nfs/dbraw/zinc/98/48/10/418984810.db2.gz WFJPLSSEEXARQU-UHFFFAOYSA-N -1 0 315.351 -0.719 20 0 DBADRM Cc1ccn2c(c1)n[n-]/c2=N\C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000088255105 544420680 /nfs/dbraw/zinc/42/06/80/544420680.db2.gz PWSFYZNSXKOAOC-SNVBAGLBSA-N -1 0 323.378 -0.178 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)Cn2cc(C(=O)[O-])nn2)[C@]12CCCO2 ZINC000668315200 544423210 /nfs/dbraw/zinc/42/32/10/544423210.db2.gz HADFRHPIOVAALL-MISXGVKJSA-N -1 0 324.337 -0.181 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)C1CCOCC1 ZINC000668306911 544424595 /nfs/dbraw/zinc/42/45/95/544424595.db2.gz VLRVJWCSLMDDTO-GHMZBOCLSA-N -1 0 319.379 -0.050 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C1CCOCC1 ZINC000668306914 544425001 /nfs/dbraw/zinc/42/50/01/544425001.db2.gz VLRVJWCSLMDDTO-WDEREUQCSA-N -1 0 319.379 -0.050 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H](C(=O)[O-])C2CCOCC2)S1(=O)=O ZINC000668305635 544425175 /nfs/dbraw/zinc/42/51/75/544425175.db2.gz SBUKFLCNOSMZCR-ZJUUUORDSA-N -1 0 320.367 -0.984 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C1CCOCC1 ZINC000668311185 544426484 /nfs/dbraw/zinc/42/64/84/544426484.db2.gz PBQTYHGVLKRNHV-ZWNOBZJWSA-N -1 0 310.350 -0.007 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)nc1 ZINC000668312418 544426487 /nfs/dbraw/zinc/42/64/87/544426487.db2.gz WFJRDLZFRJWKCS-LLVKDONJSA-N -1 0 307.306 -0.210 20 0 DBADRM O=C([O-])C1(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000668324017 544427306 /nfs/dbraw/zinc/42/73/06/544427306.db2.gz KTYIJCKOFADQQZ-UHFFFAOYSA-N -1 0 316.379 -0.122 20 0 DBADRM CCn1cnc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1 ZINC000129500737 544435141 /nfs/dbraw/zinc/43/51/41/544435141.db2.gz QHRSCTLIRUVYED-VIFPVBQESA-N -1 0 303.340 -0.233 20 0 DBADRM Cn1[n-]c(C(=O)NCCS(=O)(=O)NCC2CCC2)cc1=O ZINC000668523721 544455700 /nfs/dbraw/zinc/45/57/00/544455700.db2.gz VFLDRHNXLWRQGS-UHFFFAOYSA-N -1 0 316.383 -0.425 20 0 DBADRM NC(=O)N1CC[C@@H](NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000668662600 544472027 /nfs/dbraw/zinc/47/20/27/544472027.db2.gz BJBDNDKDSBQEBD-SNVBAGLBSA-N -1 0 317.305 -0.087 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000329347479 544480085 /nfs/dbraw/zinc/48/00/85/544480085.db2.gz RTPGFGOCQYGEQM-SNVBAGLBSA-N -1 0 302.294 -0.073 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1)S(C)(=O)=O ZINC000222602637 544490795 /nfs/dbraw/zinc/49/07/95/544490795.db2.gz VTVIPJDFNVQLOQ-UWVGGRQHSA-N -1 0 322.383 -0.594 20 0 DBADRM CCC[C@H](C(=O)NC1(c2nnn[n-]2)CCCC1)S(N)(=O)=O ZINC000668870367 544507480 /nfs/dbraw/zinc/50/74/80/544507480.db2.gz DSNRTZPILIVQQG-MRVPVSSYSA-N -1 0 316.387 -0.458 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)c3cc(=O)n(C)[n-]3)C2=O)n(C)n1 ZINC000669291070 544548429 /nfs/dbraw/zinc/54/84/29/544548429.db2.gz MMXLVMLFHLRJQA-VIFPVBQESA-N -1 0 318.337 -0.297 20 0 DBADRM CCN(CCOCCO)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000319427478 544561727 /nfs/dbraw/zinc/56/17/27/544561727.db2.gz JKNFQVJTFGDJHL-UHFFFAOYSA-N -1 0 318.370 -0.092 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(C)Cc2n[n-]c(=O)o2)o1 ZINC000673478875 544563754 /nfs/dbraw/zinc/56/37/54/544563754.db2.gz FVQYNADJXHGULV-UHFFFAOYSA-N -1 0 316.295 -0.452 20 0 DBADRM CS(=O)(=O)NCCCNS(=O)(=O)c1ccccc1[O-] ZINC000231015338 544573996 /nfs/dbraw/zinc/57/39/96/544573996.db2.gz QPFRBPZSRQDXNA-UHFFFAOYSA-N -1 0 308.381 -0.390 20 0 DBADRM CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1[O-] ZINC000231015436 544574453 /nfs/dbraw/zinc/57/44/53/544574453.db2.gz FVJMMUFHHSUBKX-UHFFFAOYSA-N -1 0 308.381 -0.438 20 0 DBADRM Cc1noc(CCNS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000231881859 544577252 /nfs/dbraw/zinc/57/72/52/544577252.db2.gz HUTRZNXSAYBGJP-VIFPVBQESA-N -1 0 318.355 -0.448 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)CCCS(C)(=O)=O ZINC000671192164 544601061 /nfs/dbraw/zinc/60/10/61/544601061.db2.gz NUNQRTACRKEPJG-IUCAKERBSA-N -1 0 313.397 -0.312 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000097090927 544618268 /nfs/dbraw/zinc/61/82/68/544618268.db2.gz MXPMTYTVIZTEOH-VHSXEESVSA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@@H](CNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000381227508 544649560 /nfs/dbraw/zinc/64/95/60/544649560.db2.gz XHNCXOQBEVHXHY-DTWKUNHWSA-N -1 0 307.372 -0.618 20 0 DBADRM CCN1CC[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1=O ZINC000670169356 544651525 /nfs/dbraw/zinc/65/15/25/544651525.db2.gz JDLANXVKJSVCJV-VIFPVBQESA-N -1 0 317.305 -0.213 20 0 DBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@@](C)(O)CO)c1 ZINC000355301270 544685762 /nfs/dbraw/zinc/68/57/62/544685762.db2.gz TZJOWBXKFYMOLL-CYBMUJFWSA-N -1 0 316.379 -0.160 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)CCN1S(C)(=O)=O ZINC000683341282 544660465 /nfs/dbraw/zinc/66/04/65/544660465.db2.gz NURXJSQOKYLCOC-GUBZILKMSA-N -1 0 320.367 -0.889 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@H](C(=O)[O-])O1 ZINC000262933579 544665138 /nfs/dbraw/zinc/66/51/38/544665138.db2.gz KHIQHRWHRCHZIJ-OPRDCNLKSA-N -1 0 305.352 -0.346 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1=O ZINC000386885331 544672673 /nfs/dbraw/zinc/67/26/73/544672673.db2.gz DHADUVQWPBUJJG-JTQLQIEISA-N -1 0 312.347 -0.177 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC000682521394 544643373 /nfs/dbraw/zinc/64/33/73/544643373.db2.gz KPNCIMIRMMMQON-NXEZZACHSA-N -1 0 320.367 -0.888 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1 ZINC000682523652 544643533 /nfs/dbraw/zinc/64/35/33/544643533.db2.gz NKYCRCBNKMGTQF-GUBZILKMSA-N -1 0 307.368 -0.100 20 0 DBADRM NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000671661091 544728269 /nfs/dbraw/zinc/72/82/69/544728269.db2.gz MVDJVVMVUNKNEI-UHFFFAOYSA-N -1 0 320.281 -0.229 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)NCC1(C(=O)[O-])CCC1 ZINC000166654624 544686537 /nfs/dbraw/zinc/68/65/37/544686537.db2.gz FXLQZBHHSDYMTE-UHFFFAOYSA-N -1 0 315.351 -0.343 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)NCC(C)(C)C(=O)[O-])c2=O ZINC000357713290 544687297 /nfs/dbraw/zinc/68/72/97/544687297.db2.gz CORLMEJDNIVNQR-UHFFFAOYSA-N -1 0 307.310 -0.643 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NCC1(C(=O)[O-])CCC1 ZINC000390090572 544688671 /nfs/dbraw/zinc/68/86/71/544688671.db2.gz MLSCYMZFEIDNBD-UHFFFAOYSA-N -1 0 307.372 -0.520 20 0 DBADRM CCC(CC)CNC(=O)C(=O)N=c1ncn(CC(=O)N(C)C)[n-]1 ZINC000360823769 544690934 /nfs/dbraw/zinc/69/09/34/544690934.db2.gz GDQNXDFLMCRAKH-UHFFFAOYSA-N -1 0 324.385 -0.721 20 0 DBADRM NS(=O)(=O)c1ccc(N2CC[C@H](CO)C2)c(C(=O)[O-])c1 ZINC000167801231 544695388 /nfs/dbraw/zinc/69/53/88/544695388.db2.gz ZCLNYUNLAAZJAI-QMMMGPOBSA-N -1 0 300.336 -0.149 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1[O-] ZINC000672076952 544763417 /nfs/dbraw/zinc/76/34/17/544763417.db2.gz HMWIDUTWTRRVDR-SECBINFHSA-N -1 0 316.383 -0.080 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)c1[O-] ZINC000672276377 544767093 /nfs/dbraw/zinc/76/70/93/544767093.db2.gz DTNOGDXHVCLCHV-VIFPVBQESA-N -1 0 316.383 -0.032 20 0 DBADRM C[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)C[C@@H](CO)O1 ZINC000318602619 544743428 /nfs/dbraw/zinc/74/34/28/544743428.db2.gz ZVSZNGRKNOUFTL-MNOVXSKESA-N -1 0 316.354 -0.341 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccccc1CN1CCOCC1 ZINC000673668482 544808313 /nfs/dbraw/zinc/80/83/13/544808313.db2.gz ZHJLKIMIAAPYDP-UHFFFAOYSA-N -1 0 302.338 -0.038 20 0 DBADRM NC(=O)N[C@H](CC(=O)NCc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000673948514 544817046 /nfs/dbraw/zinc/81/70/46/544817046.db2.gz ACATYBYXHJMAEC-SECBINFHSA-N -1 0 304.310 -0.074 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000672788162 544787153 /nfs/dbraw/zinc/78/71/53/544787153.db2.gz NQXCQRJHCYFVIO-VIFPVBQESA-N -1 0 303.340 -0.407 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000675998959 544856124 /nfs/dbraw/zinc/85/61/24/544856124.db2.gz XACOQPJOMCQIPX-MXWKQRLJSA-N -1 0 324.333 -0.526 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N1CCO[C@H](C(=O)[O-])C1)n1cccn1 ZINC000676215894 544859798 /nfs/dbraw/zinc/85/97/98/544859798.db2.gz QWQWKHIXIUHGGE-MNOVXSKESA-N -1 0 324.337 -0.786 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)CCO1 ZINC000676214087 544859807 /nfs/dbraw/zinc/85/98/07/544859807.db2.gz PPLDWWFAVPQEER-LLVKDONJSA-N -1 0 310.281 -0.246 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000676212759 544859952 /nfs/dbraw/zinc/85/99/52/544859952.db2.gz BFKQLTQWNYXJHL-LLVKDONJSA-N -1 0 308.290 -0.054 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@]23CCC(=O)N2CCS3)CCO1 ZINC000676214190 544860020 /nfs/dbraw/zinc/86/00/20/544860020.db2.gz QCVZGELLVOBMOX-PRHODGIISA-N -1 0 300.336 -0.636 20 0 DBADRM C[C@@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000676208798 544860047 /nfs/dbraw/zinc/86/00/47/544860047.db2.gz LEOTYKUVAOTSSV-MRVPVSSYSA-N -1 0 300.336 -0.144 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)nn1 ZINC000676215085 544860136 /nfs/dbraw/zinc/86/01/36/544860136.db2.gz NILVXQIRFSQROX-JTQLQIEISA-N -1 0 324.337 -0.181 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccnc(-n2cncn2)c1 ZINC000676207768 544860186 /nfs/dbraw/zinc/86/01/86/544860186.db2.gz POIUECJENYBUMX-UHFFFAOYSA-N -1 0 305.294 -0.165 20 0 DBADRM CCc1c(NC(=O)C(=O)NCc2nnn[n-]2)cnn1CC(C)C ZINC000677455777 544890565 /nfs/dbraw/zinc/89/05/65/544890565.db2.gz WKCRXVLSNRIBSR-UHFFFAOYSA-N -1 0 320.357 -0.131 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)NCc3ncc[nH]3)cc-2c(=O)[n-]1 ZINC000677600937 544894028 /nfs/dbraw/zinc/89/40/28/544894028.db2.gz ULFASOWRGMMGKB-UHFFFAOYSA-N -1 0 322.306 -0.362 20 0 DBADRM O=C(CNC(=O)c1ccncc1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000677924762 544901099 /nfs/dbraw/zinc/90/10/99/544901099.db2.gz AKFDXLZITZNQHX-LLVKDONJSA-N -1 0 315.337 -0.269 20 0 DBADRM Cc1ccc(NC(=O)c2n[nH]c(=O)[n-]c2=O)cc1-n1cnnn1 ZINC000677948516 544902924 /nfs/dbraw/zinc/90/29/24/544902924.db2.gz SYVFGZSVIIHPRI-UHFFFAOYSA-N -1 0 314.265 -0.181 20 0 DBADRM Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)ccc1-n1cnnn1 ZINC000678988723 544924100 /nfs/dbraw/zinc/92/41/00/544924100.db2.gz MUNGJBCUVGUARP-AWEZNQCLSA-N -1 0 317.305 -0.056 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000678990792 544924258 /nfs/dbraw/zinc/92/42/58/544924258.db2.gz XTPUDEAQVMXAND-HFBDOXOYSA-N -1 0 324.333 -0.479 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000678978871 544924304 /nfs/dbraw/zinc/92/43/04/544924304.db2.gz MGYNXWVHFDAXHD-JTQLQIEISA-N -1 0 324.399 -0.442 20 0 DBADRM CC[C@H](NC(=O)NCCCN1CCCS1(=O)=O)C(=O)[O-] ZINC000679556951 544933684 /nfs/dbraw/zinc/93/36/84/544933684.db2.gz AHMSJWIZHLTJDG-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM CC(=O)NCCN(C(=O)CN(C)C(=O)C1CC1)[C@H](C)C(=O)[O-] ZINC000679654978 544935888 /nfs/dbraw/zinc/93/58/88/544935888.db2.gz NHSMJWPSBSGRBL-SECBINFHSA-N -1 0 313.354 -0.707 20 0 DBADRM CCNC(=O)CCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000679655170 544936053 /nfs/dbraw/zinc/93/60/53/544936053.db2.gz RHYFJJLSQAGBCS-VIFPVBQESA-N -1 0 301.343 -0.660 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000679636688 544936057 /nfs/dbraw/zinc/93/60/57/544936057.db2.gz RVYYBCPLXUPKTC-JTQLQIEISA-N -1 0 316.321 -0.174 20 0 DBADRM CCO[C@@H]1C[C@](CO)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1(C)C ZINC000682027511 544992595 /nfs/dbraw/zinc/99/25/95/544992595.db2.gz OFAAJIAPPDLAKU-FUXBKTLASA-N -1 0 312.326 -0.421 20 0 DBADRM COc1cc(F)c(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(F)c1 ZINC000681558569 544974597 /nfs/dbraw/zinc/97/45/97/544974597.db2.gz UKINTOICURVMIY-MRVPVSSYSA-N -1 0 311.262 -0.303 20 0 DBADRM Cc1cc(C)n(C[C@H](NS(=O)(=O)N(C)C2CC2)C(=O)[O-])n1 ZINC000681581497 544975765 /nfs/dbraw/zinc/97/57/65/544975765.db2.gz QHMORBMXJHYFCQ-NSHDSACASA-N -1 0 316.383 -0.118 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000681573404 544975851 /nfs/dbraw/zinc/97/58/51/544975851.db2.gz WENJDZAHMGJTBG-NSHDSACASA-N -1 0 311.319 -0.404 20 0 DBADRM CN(C1CC1)S(=O)(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000681588510 544976968 /nfs/dbraw/zinc/97/69/68/544976968.db2.gz HRUAMBJLBBRWSF-SNVBAGLBSA-N -1 0 300.340 -0.440 20 0 DBADRM CC(C)CN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1=O ZINC000681762997 544980027 /nfs/dbraw/zinc/98/00/27/544980027.db2.gz VFICVZZLXCOPLT-MRVPVSSYSA-N -1 0 309.326 -0.388 20 0 DBADRM CCCN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C(C)(C)C1=O ZINC000681764000 544980297 /nfs/dbraw/zinc/98/02/97/544980297.db2.gz SPGHASHGIFKTRZ-UHFFFAOYSA-N -1 0 309.326 -0.244 20 0 DBADRM Cc1ccccc1C[C@@H](CO)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000682541661 545001281 /nfs/dbraw/zinc/00/12/81/545001281.db2.gz NPGCIFIMLFHCIT-JTQLQIEISA-N -1 0 304.306 -0.075 20 0 DBADRM Cc1cccc(C[C@@H](CO)NC(=O)c2n[nH]c(=O)[n-]c2=O)c1 ZINC000682551199 545001339 /nfs/dbraw/zinc/00/13/39/545001339.db2.gz QJSMOPMJJGYKPR-JTQLQIEISA-N -1 0 304.306 -0.075 20 0 DBADRM O=C([O-])C1CC(C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000682700744 545003808 /nfs/dbraw/zinc/00/38/08/545003808.db2.gz TURQQSQWYJUIIU-UHFFFAOYSA-N -1 0 322.365 -0.002 20 0 DBADRM CCO[C@H]1C[C@](O)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1(C)C ZINC000682821575 545005837 /nfs/dbraw/zinc/00/58/37/545005837.db2.gz PRWTUYOTNNEWEM-CPFSXVBKSA-N -1 0 312.326 -0.421 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])O2)C1 ZINC000683339993 545009415 /nfs/dbraw/zinc/00/94/15/545009415.db2.gz YMEDDSNICSBWLN-OPRDCNLKSA-N -1 0 320.367 -0.841 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)CC[C@@H]1CCCO1 ZINC000683730180 545012541 /nfs/dbraw/zinc/01/25/41/545012541.db2.gz KPSZNZRMMRPKAG-VIFPVBQESA-N -1 0 308.356 -0.934 20 0 DBADRM NC(=O)[C@@H](O)CNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000683916712 545015038 /nfs/dbraw/zinc/01/50/38/545015038.db2.gz XCGGHAGQDPWXOP-VIFPVBQESA-N -1 0 308.269 -0.707 20 0 DBADRM C[C@@H](CN1CCOCC1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000684069933 545016865 /nfs/dbraw/zinc/01/68/65/545016865.db2.gz XZQRCPWAGONHRR-JTQLQIEISA-N -1 0 310.354 -0.721 20 0 DBADRM CCS(=O)(=O)NCCS(=O)(=O)NC(C)(C)C(F)F ZINC000684599404 545022403 /nfs/dbraw/zinc/02/24/03/545022403.db2.gz LZFLRLIFRAZUBN-UHFFFAOYSA-N -1 0 308.372 -0.111 20 0 DBADRM O=C(CNC(=O)c1ccc(O)cc1)NCC(=O)NCC(F)F ZINC000684621594 545022524 /nfs/dbraw/zinc/02/25/24/545022524.db2.gz ZDQVZLCHZDDJFM-UHFFFAOYSA-N -1 0 315.276 -0.381 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)NCCCN(C)S(C)(=O)=O ZINC000684720807 545023205 /nfs/dbraw/zinc/02/32/05/545023205.db2.gz IJCZNYNTUWBTJD-UHFFFAOYSA-N -1 0 309.388 -0.228 20 0 DBADRM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)NCCNS(C)(=O)=O ZINC000684718878 545023246 /nfs/dbraw/zinc/02/32/46/545023246.db2.gz OQINWQCMYXNJOM-SECBINFHSA-N -1 0 309.388 -0.324 20 0 DBADRM Cc1nnnn1-c1cc(NC(=O)N[C@H](CO)C(=O)[O-])ccc1F ZINC000684747052 545023782 /nfs/dbraw/zinc/02/37/82/545023782.db2.gz BYTVBOMINYOJEP-SECBINFHSA-N -1 0 324.272 -0.323 20 0 DBADRM COc1cncc(S(=O)(=O)N(CCO)CCC(=O)[O-])c1 ZINC000684895816 545024777 /nfs/dbraw/zinc/02/47/77/545024777.db2.gz JJUZPHTXQZEYDV-UHFFFAOYSA-N -1 0 304.324 -0.452 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000685021640 545025383 /nfs/dbraw/zinc/02/53/83/545025383.db2.gz ANLYAASTNCZVES-JTQLQIEISA-N -1 0 315.370 -0.367 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])cc1C(N)=O ZINC000042161751 545036607 /nfs/dbraw/zinc/03/66/07/545036607.db2.gz MWFMVTKIPARHCZ-MRVPVSSYSA-N -1 0 315.351 -0.248 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000043703045 545037315 /nfs/dbraw/zinc/03/73/15/545037315.db2.gz ITOFYOAGTJIYOS-VIFPVBQESA-N -1 0 303.340 -0.489 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000390344870 545037874 /nfs/dbraw/zinc/03/78/74/545037874.db2.gz KPWNIJWJJSISOO-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM CCCNS(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417448797 265745388 /nfs/dbraw/zinc/74/53/88/265745388.db2.gz WLVULTNPZOINNI-NXEZZACHSA-N -1 0 321.399 -0.470 20 0 DBADRM CCN(C)S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417449108 265745637 /nfs/dbraw/zinc/74/56/37/265745637.db2.gz XJJGWYLSCMPCDB-VHSXEESVSA-N -1 0 321.399 -0.517 20 0 DBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)N(C)CCC(=O)[O-] ZINC000420566023 265861506 /nfs/dbraw/zinc/86/15/06/265861506.db2.gz JEOOFYBCXYDJHO-VIFPVBQESA-N -1 0 302.327 -0.377 20 0 DBADRM COC(=O)C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000422851374 265882354 /nfs/dbraw/zinc/88/23/54/265882354.db2.gz OTMLQVOVLVEHCA-NXEZZACHSA-N -1 0 312.322 -0.526 20 0 DBADRM COCCN(C(=O)C(=O)N(C)CCC(=O)[O-])[C@@H]1CCOC1 ZINC000422884233 265883311 /nfs/dbraw/zinc/88/33/11/265883311.db2.gz WNKINELYJRITKX-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@@H](CO)[C@@H]1C)C(=O)[O-] ZINC000422932032 265883793 /nfs/dbraw/zinc/88/37/93/265883793.db2.gz YMAYOZAGHOROKR-VWYCJHECSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCSC[C@@H]1CCO)C(=O)[O-] ZINC000422904182 265883896 /nfs/dbraw/zinc/88/38/96/265883896.db2.gz PTYXWSOFAQWXRI-UWVGGRQHSA-N -1 0 318.395 -0.508 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCc2cc[nH]c(=O)c2C1)C(=O)[O-] ZINC000422927622 265883914 /nfs/dbraw/zinc/88/39/14/265883914.db2.gz ZHYPBPKDEARSGG-SECBINFHSA-N -1 0 321.333 -0.149 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)C1 ZINC000422931106 265883926 /nfs/dbraw/zinc/88/39/26/265883926.db2.gz XARDQTVWFYDUSZ-USZNOCQGSA-N -1 0 312.366 -0.215 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424241666 265928738 /nfs/dbraw/zinc/92/87/38/265928738.db2.gz ZBRJOAVGTVKNAJ-UHFFFAOYSA-N -1 0 324.399 -0.441 20 0 DBADRM C[C@@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C(=O)[O-] ZINC000424254669 265928845 /nfs/dbraw/zinc/92/88/45/265928845.db2.gz LHKJAICVIXDMDG-VXNVDRBHSA-N -1 0 311.294 -0.881 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424369656 265929387 /nfs/dbraw/zinc/92/93/87/265929387.db2.gz RNBYXMATPYDVKV-MWLCHTKSSA-N -1 0 322.383 -0.089 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)o1 ZINC000424373051 265929658 /nfs/dbraw/zinc/92/96/58/265929658.db2.gz XHWMWAPZSFVHSB-MRVPVSSYSA-N -1 0 323.348 -0.540 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@@H]2CCCO2)CCS1(=O)=O ZINC000424395110 265931395 /nfs/dbraw/zinc/93/13/95/265931395.db2.gz ZCGAEMOBBKZUER-DTWKUNHWSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCc2ccco2)CCS1(=O)=O ZINC000424382953 265931851 /nfs/dbraw/zinc/93/18/51/265931851.db2.gz CIMZYDGFYFDPEE-SNVBAGLBSA-N -1 0 316.335 -0.285 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cncc(F)c2)CCS1(=O)=O ZINC000424385575 265932006 /nfs/dbraw/zinc/93/20/06/265932006.db2.gz GRMFGJDNVVAGFG-VIFPVBQESA-N -1 0 317.298 -0.064 20 0 DBADRM CCCCS(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424393913 265932153 /nfs/dbraw/zinc/93/21/53/265932153.db2.gz SAXKODVGAYDAHG-ZETCQYMHSA-N -1 0 304.328 -0.618 20 0 DBADRM CC(C)C[C@H](CNC(=O)NC[C@H](O)Cn1ccnn1)C(=O)[O-] ZINC000424431130 265932734 /nfs/dbraw/zinc/93/27/34/265932734.db2.gz ONVSQWIBMYMDRY-MNOVXSKESA-N -1 0 313.358 -0.315 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCC2(O)CCC2)CCS1(=O)=O ZINC000424443216 265933033 /nfs/dbraw/zinc/93/30/33/265933033.db2.gz ARVSESANHONYEQ-VIFPVBQESA-N -1 0 320.367 -0.815 20 0 DBADRM CCOc1cc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)ncn1 ZINC000424481317 265936178 /nfs/dbraw/zinc/93/61/78/265936178.db2.gz ZNXPYJQIPPOQHM-QMMMGPOBSA-N -1 0 301.324 -0.437 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1)C(=O)[O-] ZINC000424479359 265936950 /nfs/dbraw/zinc/93/69/50/265936950.db2.gz DUVXLWNWVNSNFB-HBNTYKKESA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CCO1 ZINC000424488866 265937585 /nfs/dbraw/zinc/93/75/85/265937585.db2.gz NLYBEIYOWQLUCC-ZJUUUORDSA-N -1 0 316.354 -0.788 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1CCn2cnnc2C1)C(=O)[O-] ZINC000424487653 265937642 /nfs/dbraw/zinc/93/76/42/265937642.db2.gz IDQPIXGMACHWMT-UHFFFAOYSA-N -1 0 323.353 -0.373 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424518913 265938216 /nfs/dbraw/zinc/93/82/16/265938216.db2.gz NRBGKSLUBDCCHH-UHFFFAOYSA-N -1 0 301.343 -0.802 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCCOCC(N)=O)c1 ZINC000424730365 265941146 /nfs/dbraw/zinc/94/11/46/265941146.db2.gz NHEAJWNFSUIIQH-OAQYLSRUSA-N -1 0 314.363 -0.579 20 0 DBADRM COC[C@@](C)([N-]S(=O)(=O)CCOCC1CC1)C(=O)OC ZINC000425169755 265946751 /nfs/dbraw/zinc/94/67/51/265946751.db2.gz PPPUBUGJGOPNBJ-GFCCVEGCSA-N -1 0 309.384 -0.090 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)NC1(c2nnn[n-]2)CC1)n1cccn1 ZINC000430314636 266002182 /nfs/dbraw/zinc/00/21/82/266002182.db2.gz KOEZEIRKFPAOPE-VIFPVBQESA-N -1 0 318.341 -0.779 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC(=O)NC2)oc1C ZINC000431810943 266026038 /nfs/dbraw/zinc/02/60/38/266026038.db2.gz JIJVSUCBRYRQHH-QMMMGPOBSA-N -1 0 316.335 -0.068 20 0 DBADRM CN(C)c1nc(C(=O)NC[C@H](O)C2CCOCC2)cc(=O)[nH]1 ZINC000431786302 266026092 /nfs/dbraw/zinc/02/60/92/266026092.db2.gz SCNHOJGZRKMSQE-NSHDSACASA-N -1 0 310.354 -0.235 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000432122879 266027537 /nfs/dbraw/zinc/02/75/37/266027537.db2.gz QKMHESJGDUYLAR-XFWSIPNHSA-N -1 0 304.368 -0.316 20 0 DBADRM C[C@H](CCN1CCOCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC000435363190 266060386 /nfs/dbraw/zinc/06/03/86/266060386.db2.gz JXACUCXBLVVJFJ-SNVBAGLBSA-N -1 0 310.354 -0.674 20 0 DBADRM Cc1cc(OCC(=O)NC(N)=O)ccc1NC(=O)c1cn[nH]n1 ZINC000436221856 266067555 /nfs/dbraw/zinc/06/75/55/266067555.db2.gz TXNGDGJXAKIXIM-UHFFFAOYSA-N -1 0 318.293 -0.061 20 0 DBADRM C[C@@H](O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436697989 266069425 /nfs/dbraw/zinc/06/94/25/266069425.db2.gz MTQMKYOYVSFNBP-MRVPVSSYSA-N -1 0 302.352 -0.247 20 0 DBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2c(C)noc2C)n1 ZINC000437305838 266074383 /nfs/dbraw/zinc/07/43/83/266074383.db2.gz MYPPYOIUZRQMSW-UHFFFAOYSA-N -1 0 315.311 -0.143 20 0 DBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2nnc[nH]2)c1 ZINC000437397658 266074918 /nfs/dbraw/zinc/07/49/18/266074918.db2.gz SRDOYRSQRZCSOT-UHFFFAOYSA-N -1 0 306.311 -0.204 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]c2ncn(CC(=O)OC)n2)cn1 ZINC000437316284 266075096 /nfs/dbraw/zinc/07/50/96/266075096.db2.gz URBVRXXWYQVFHW-UHFFFAOYSA-N -1 0 314.327 -0.532 20 0 DBADRM C[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000439946640 266094409 /nfs/dbraw/zinc/09/44/09/266094409.db2.gz PUPDPHAJRFIFJY-QMMMGPOBSA-N -1 0 308.294 -0.848 20 0 DBADRM COc1cccc(CCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC000440652710 266104413 /nfs/dbraw/zinc/10/44/13/266104413.db2.gz NJSIMNYASQOHRY-UHFFFAOYSA-N -1 0 304.306 -0.138 20 0 DBADRM CS(=O)(=O)C1(CNS(=O)(=O)[N-]CC(F)(F)F)CCC1 ZINC000443216533 266138883 /nfs/dbraw/zinc/13/88/83/266138883.db2.gz UJWXYCRZSYWPJW-UHFFFAOYSA-N -1 0 324.346 -0.060 20 0 DBADRM CCS(=O)(=O)N1CC(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)C1 ZINC000442661889 266126837 /nfs/dbraw/zinc/12/68/37/266126837.db2.gz OVUOTDJVGGSFOC-NXEZZACHSA-N -1 0 320.367 -0.984 20 0 DBADRM COCc1nc(=NC(=O)C(C)(C)NS(C)(=O)=O)s[n-]1 ZINC000442674754 266126887 /nfs/dbraw/zinc/12/68/87/266126887.db2.gz XKDBPVRRDIPXJO-UHFFFAOYSA-N -1 0 308.385 -0.627 20 0 DBADRM CCS(=O)(=O)N1CC(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC000442661899 266127098 /nfs/dbraw/zinc/12/70/98/266127098.db2.gz OVUOTDJVGGSFOC-ZJUUUORDSA-N -1 0 320.367 -0.984 20 0 DBADRM C[C@]1(NS(=O)(=O)[N-]CC(F)(F)F)CCS(=O)(=O)C1 ZINC000442927396 266132368 /nfs/dbraw/zinc/13/23/68/266132368.db2.gz UFBORDMYCAEWEV-LURJTMIESA-N -1 0 310.319 -0.450 20 0 DBADRM CN(C)C(=O)COC1CN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000443018329 266133097 /nfs/dbraw/zinc/13/30/97/266133097.db2.gz NMHYVGZCKBTEPY-UHFFFAOYSA-N -1 0 319.305 -0.828 20 0 DBADRM C[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C(=O)N1CCOCC1 ZINC000442983921 266133161 /nfs/dbraw/zinc/13/31/61/266133161.db2.gz QFRUSKRLNDYVBO-ZETCQYMHSA-N -1 0 319.305 -0.780 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)[N-]CC(F)(F)F ZINC000442938074 266133641 /nfs/dbraw/zinc/13/36/41/266133641.db2.gz FSWJUGYQPTZCML-LURJTMIESA-N -1 0 312.335 -0.252 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)[N-]CC(F)(F)F ZINC000443043514 266135722 /nfs/dbraw/zinc/13/57/22/266135722.db2.gz ZZNBPQZUZXTRAN-RNFRBKRXSA-N -1 0 303.306 -0.113 20 0 DBADRM COC(=O)C[C@]1(NS(=O)(=O)[N-]CC(F)(F)F)CCOC1 ZINC000443053516 266135778 /nfs/dbraw/zinc/13/57/78/266135778.db2.gz XSPHTPMIRQZMIM-MRVPVSSYSA-N -1 0 320.289 -0.305 20 0 DBADRM CCOCCOC[C@H](O)CNS(=O)(=O)[N-]CC(F)(F)F ZINC000443199198 266138313 /nfs/dbraw/zinc/13/83/13/266138313.db2.gz OTOPSDSIGUAFSA-MRVPVSSYSA-N -1 0 324.321 -0.613 20 0 DBADRM CC[C@@](C)(NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000492158814 266154749 /nfs/dbraw/zinc/15/47/49/266154749.db2.gz XIVGPNKJRGBSOP-LMVHVUTASA-N -1 0 309.322 -0.533 20 0 DBADRM C[N@H+](CC(=O)[O-])[C@H]1CN(C(=O)/C=C\c2cncc(F)c2)C[C@H]1O ZINC000492703906 266164440 /nfs/dbraw/zinc/16/44/40/266164440.db2.gz KWENMIKXOCYIKG-GPRRCUJPSA-N -1 0 323.324 -0.178 20 0 DBADRM COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cn1 ZINC000493113121 266170674 /nfs/dbraw/zinc/17/06/74/266170674.db2.gz FKAOLEMMWAUNKA-PBKGFPTLSA-N -1 0 313.335 -0.267 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000493484569 266176082 /nfs/dbraw/zinc/17/60/82/266176082.db2.gz CNKAEXWHGDNWPY-BYWPYVJASA-N -1 0 307.306 -0.923 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)/C=C/C2CCOCC2)CCS1(=O)=O ZINC000493568578 266177298 /nfs/dbraw/zinc/17/72/98/266177298.db2.gz OURVKIPABAIPNB-FMBMQGQPSA-N -1 0 317.363 -0.321 20 0 DBADRM C[C@@](O)(CNC(=O)/C=C\c1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000493666026 266180129 /nfs/dbraw/zinc/18/01/29/266180129.db2.gz WEBQJOZKYIMMTR-IJVDHGTGSA-N -1 0 322.317 -0.484 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@@H](CC2CC2)C(=O)[O-])c(=O)n(C)c1=O ZINC000493671377 266180996 /nfs/dbraw/zinc/18/09/96/266180996.db2.gz AFJXVNWKADZZKS-QRGHLMKCSA-N -1 0 321.333 -0.533 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C/c1cncs1 ZINC000493775840 266182405 /nfs/dbraw/zinc/18/24/05/266182405.db2.gz IWHQUQZRYPYPTO-NSCUHMNNSA-N -1 0 303.365 -0.262 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000493876294 266184112 /nfs/dbraw/zinc/18/41/12/266184112.db2.gz UXXUDLGAFPIFLS-QMMMGPOBSA-N -1 0 315.351 -0.426 20 0 DBADRM COC(=O)[C@H](CNC(=O)Nc1ccc2c(c1)C(=O)NC2=O)OC ZINC000494440026 266192884 /nfs/dbraw/zinc/19/28/84/266192884.db2.gz WJLFJYPCEVWXMZ-JTQLQIEISA-N -1 0 321.289 -0.120 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000494949005 266199676 /nfs/dbraw/zinc/19/96/76/266199676.db2.gz DADYXPQKIYXBKS-SECBINFHSA-N -1 0 308.356 -0.252 20 0 DBADRM COC(=O)NCCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000495106968 266201081 /nfs/dbraw/zinc/20/10/81/266201081.db2.gz UKKWFHRRVDVJHV-QMMMGPOBSA-N -1 0 303.315 -0.830 20 0 DBADRM CCOC(=O)N1CCC[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])C1 ZINC000495343838 266203837 /nfs/dbraw/zinc/20/38/37/266203837.db2.gz YJJBHASEBHPVCV-NOZJJQNGSA-N -1 0 302.327 -0.193 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC ZINC000495650704 266211327 /nfs/dbraw/zinc/21/13/27/266211327.db2.gz JTQLVPZPLJGSTP-GJMOJQLCSA-N -1 0 324.355 -0.626 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C ZINC000495684865 266213626 /nfs/dbraw/zinc/21/36/26/266213626.db2.gz GEEGYZFKSAUKSY-UHFFFAOYSA-N -1 0 323.371 -0.907 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000495900666 266222039 /nfs/dbraw/zinc/22/20/39/266222039.db2.gz DLRXENCFSFMRIH-UHFFFAOYSA-N -1 0 314.319 -0.218 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000495993444 266222834 /nfs/dbraw/zinc/22/28/34/266222834.db2.gz QUVFWASHNWABRI-UHFFFAOYSA-N -1 0 307.715 -0.104 20 0 DBADRM CCOC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)C(C)C ZINC000495991053 266223885 /nfs/dbraw/zinc/22/38/85/266223885.db2.gz JGCUQGHGWQDCSU-NXEZZACHSA-N -1 0 322.383 -0.008 20 0 DBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)C(C)C ZINC000496103560 266226497 /nfs/dbraw/zinc/22/64/97/266226497.db2.gz TZGNFWORJQMJMY-BDAKNGLRSA-N -1 0 310.372 -0.152 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)OC)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000496148631 266228151 /nfs/dbraw/zinc/22/81/51/266228151.db2.gz DVQWKSWINIKVJG-GUBZILKMSA-N -1 0 322.383 -0.008 20 0 DBADRM C[C@H]1OC(=O)N[C@@H]1C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000496366419 266234203 /nfs/dbraw/zinc/23/42/03/266234203.db2.gz XTKNUVDXZPIWIT-KCJUWKMLSA-N -1 0 307.306 -0.265 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)OC[C@@H]2CNC(=O)O2)o1 ZINC000496360542 266234428 /nfs/dbraw/zinc/23/44/28/266234428.db2.gz NYYIAORYMCUPLT-LURJTMIESA-N -1 0 304.280 -0.547 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ncc(Cl)cn1 ZINC000496547270 266238823 /nfs/dbraw/zinc/23/88/23/266238823.db2.gz IUPSEUYFLMZMBT-UHFFFAOYSA-N -1 0 322.730 -0.367 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ncc(Cl)cn1 ZINC000496714635 266242951 /nfs/dbraw/zinc/24/29/51/266242951.db2.gz VAFTZOVWOCFZED-UHFFFAOYSA-N -1 0 322.730 -0.319 20 0 DBADRM CCOC(=O)N1CCN(C(=O)CN2CCC[C@@H]2C(=O)[O-])CC1 ZINC000496768163 266244607 /nfs/dbraw/zinc/24/46/07/266244607.db2.gz RNDXRJQTELPXIC-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)CCC(C)(C)OC ZINC000496835450 266246707 /nfs/dbraw/zinc/24/67/07/266246707.db2.gz GXVSSKOERIECDN-UHFFFAOYSA-N -1 0 310.372 -0.054 20 0 DBADRM COC(=O)N1CC(NC(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC000496823415 266246809 /nfs/dbraw/zinc/24/68/09/266246809.db2.gz VPYXZKGRTXTQNK-UHFFFAOYSA-N -1 0 315.326 -0.686 20 0 DBADRM CCOC(=O)N1CCC(S(=O)(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000496871799 266248646 /nfs/dbraw/zinc/24/86/46/266248646.db2.gz BROIIEIGBWYMMD-MRVPVSSYSA-N -1 0 308.356 0.000 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000497039836 266253475 /nfs/dbraw/zinc/25/34/75/266253475.db2.gz WZTWUZCGBDCCOF-OIBJUYFYSA-N -1 0 302.294 -0.020 20 0 DBADRM CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC000497060833 266254260 /nfs/dbraw/zinc/25/42/60/266254260.db2.gz CNKBRTCHLRRSOA-SECBINFHSA-N -1 0 315.326 -0.686 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCO[C@]2(CCOC2)C1 ZINC000514600873 266261155 /nfs/dbraw/zinc/26/11/55/266261155.db2.gz UYWBZBNNXCHXNI-CMPLNLGQSA-N -1 0 320.367 -0.729 20 0 DBADRM NC(=O)[C@@]1(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)CCOC1 ZINC000514612791 266261679 /nfs/dbraw/zinc/26/16/79/266261679.db2.gz ZKQZVHKXCWFZFU-GFCCVEGCSA-N -1 0 314.319 -0.693 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000514861097 266266118 /nfs/dbraw/zinc/26/61/18/266266118.db2.gz PYJGAPMDDIMOCV-VLEAKVRGSA-N -1 0 307.368 -0.037 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-] ZINC000515173676 266269162 /nfs/dbraw/zinc/26/91/62/266269162.db2.gz MNKJFRFBWZBDEU-ONGXEEELSA-N -1 0 318.351 -0.017 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000515176342 266269392 /nfs/dbraw/zinc/26/93/92/266269392.db2.gz JKZPLVRKJZRMMU-ZJUUUORDSA-N -1 0 322.383 -0.688 20 0 DBADRM C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000515434079 266271712 /nfs/dbraw/zinc/27/17/12/266271712.db2.gz GMHSNRNFXKJOIH-LBPRGKRZSA-N -1 0 316.383 -0.990 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000515385778 266271898 /nfs/dbraw/zinc/27/18/98/266271898.db2.gz BLAHIZCHBLMOTP-GFCCVEGCSA-N -1 0 308.338 -0.048 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CCOCC2CC2)CCS1(=O)=O ZINC000515635654 266273065 /nfs/dbraw/zinc/27/30/65/266273065.db2.gz KVYMPZFEIJAFTD-SNVBAGLBSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CCOCC2CC2)CCS1(=O)=O ZINC000515635650 266274134 /nfs/dbraw/zinc/27/41/34/266274134.db2.gz KVYMPZFEIJAFTD-JTQLQIEISA-N -1 0 305.352 -0.487 20 0 DBADRM CC(C)[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)C(=O)[O-] ZINC000515844196 266275452 /nfs/dbraw/zinc/27/54/52/266275452.db2.gz SRSVGEYVJDOGST-VIFPVBQESA-N -1 0 305.294 -0.333 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)cn1 ZINC000516071046 266276894 /nfs/dbraw/zinc/27/68/94/266276894.db2.gz BAPLHWNVAWRVDJ-MRVPVSSYSA-N -1 0 304.324 -0.142 20 0 DBADRM C[C@H](C1CC1)N(C)S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000516136470 266278140 /nfs/dbraw/zinc/27/81/40/266278140.db2.gz JTNFODCEOKBYPV-MRVPVSSYSA-N -1 0 317.371 -0.459 20 0 DBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2nn[nH]n2)cc1 ZINC000516169399 266278623 /nfs/dbraw/zinc/27/86/23/266278623.db2.gz VOQWLVCCRCKCRR-UHFFFAOYSA-N -1 0 324.322 -0.681 20 0 DBADRM NC(=O)COc1cccc(CNC(=O)CSCC(=O)[O-])c1 ZINC000516216639 266279069 /nfs/dbraw/zinc/27/90/69/266279069.db2.gz LUDISCDGMMJDCW-UHFFFAOYSA-N -1 0 312.347 -0.015 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1cn(C)c(C(C)C)n1 ZINC000516585631 266282314 /nfs/dbraw/zinc/28/23/14/266282314.db2.gz XPVWSEJUFIUXHK-QMMMGPOBSA-N -1 0 305.356 -0.644 20 0 DBADRM Cc1cnc2nc(C(=O)N[C@]3(CC(=O)[O-])CCOC3)nn2c1 ZINC000516787392 266285416 /nfs/dbraw/zinc/28/54/16/266285416.db2.gz UQXIXHZQXDHRFQ-ZDUSSCGKSA-N -1 0 305.294 -0.204 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NCCCO[C@@H]1CCOC1 ZINC000516801711 266285513 /nfs/dbraw/zinc/28/55/13/266285513.db2.gz OHUCCQWMMBONBO-LLVKDONJSA-N -1 0 304.343 -0.075 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-] ZINC000516925339 266287098 /nfs/dbraw/zinc/28/70/98/266287098.db2.gz OEHUKRRHKTUOKV-VIFPVBQESA-N -1 0 304.324 -0.142 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000516922570 266287201 /nfs/dbraw/zinc/28/72/01/266287201.db2.gz IGRXJQOSSQIJFX-LLVKDONJSA-N -1 0 310.372 -0.768 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCc2cnn(C)c2)C[C@H]1C(=O)[O-] ZINC000517030206 266289373 /nfs/dbraw/zinc/28/93/73/266289373.db2.gz JRRRGLBUAOIDCJ-ZYHUDNBSSA-N -1 0 322.365 -0.352 20 0 DBADRM O=C(CNC(=O)c1ccc(O)cc1)NC[C@H](CO)[C@@H]1CCOC1 ZINC000517648288 266295087 /nfs/dbraw/zinc/29/50/87/266295087.db2.gz CXXBZYDFOVQBDS-CHWSQXEVSA-N -1 0 322.361 -0.117 20 0 DBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000517566421 266295380 /nfs/dbraw/zinc/29/53/80/266295380.db2.gz SGGFKLFBCQEVDA-DTWKUNHWSA-N -1 0 311.342 -0.486 20 0 DBADRM CC(C)CO[C@@H](C)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000518755727 266302818 /nfs/dbraw/zinc/30/28/18/266302818.db2.gz OAVXJNJQRVKKNO-UWVGGRQHSA-N -1 0 307.368 -0.242 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)C1 ZINC000518796894 266304114 /nfs/dbraw/zinc/30/41/14/266304114.db2.gz CYRSJRSLDPPESC-VWYCJHECSA-N -1 0 306.384 -0.270 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C[C@H](C)O1 ZINC000519245024 266308173 /nfs/dbraw/zinc/30/81/73/266308173.db2.gz JMFQGMCDYDDZGG-WYFGTUCQSA-N -1 0 304.368 -0.253 20 0 DBADRM COCC1(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)CC1 ZINC000519535082 266310051 /nfs/dbraw/zinc/31/00/51/266310051.db2.gz FCTDSDDRTYIWEI-VIFPVBQESA-N -1 0 303.340 -0.356 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000519602290 266311349 /nfs/dbraw/zinc/31/13/49/266311349.db2.gz IQTKNIIOELUSQG-YTWAJWBKSA-N -1 0 318.395 -0.022 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C(=O)[O-] ZINC000520582892 266319576 /nfs/dbraw/zinc/31/95/76/266319576.db2.gz DOQNUHDRHQKWMZ-UWVGGRQHSA-N -1 0 309.322 -0.884 20 0 DBADRM CN1CC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000520581915 266319883 /nfs/dbraw/zinc/31/98/83/266319883.db2.gz JBYHYZTXAWHDPL-JTQLQIEISA-N -1 0 305.290 -0.330 20 0 DBADRM O=C([O-])CN(C1CCOCC1)S(=O)(=O)C[C@@H]1CCOC1 ZINC000520806451 266322723 /nfs/dbraw/zinc/32/27/23/266322723.db2.gz SMEVYEJQZOKTEB-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM Cc1c(F)cc(S(=O)(=O)N(C)CC(N)=O)cc1C(=O)[O-] ZINC000521882349 266331425 /nfs/dbraw/zinc/33/14/25/266331425.db2.gz FQXMUEHIDHAMOX-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM Cc1ncsc1[C@@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000527051935 266353503 /nfs/dbraw/zinc/35/35/03/266353503.db2.gz QWMSWBVAJRZAOJ-MRVPVSSYSA-N -1 0 321.380 -0.256 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1noc2c1COCC2 ZINC000527597944 266362951 /nfs/dbraw/zinc/36/29/51/266362951.db2.gz LDBTYXARNZBMHC-QMMMGPOBSA-N -1 0 316.335 -0.014 20 0 DBADRM O=C([N-]S(=O)(=O)C1CCC1)c1cn(C[C@@H]2CCOC2)nn1 ZINC000529000646 266382586 /nfs/dbraw/zinc/38/25/86/266382586.db2.gz HKUKFIVMFUAJPK-VIFPVBQESA-N -1 0 314.367 -0.073 20 0 DBADRM O=C(Cn1ccc(C(F)F)n1)[N-]S(=O)(=O)N1CCOCC1 ZINC000528958577 266382860 /nfs/dbraw/zinc/38/28/60/266382860.db2.gz LWIVASDYNLFNFF-UHFFFAOYSA-N -1 0 324.309 -0.486 20 0 DBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)cn1 ZINC000529109777 266383773 /nfs/dbraw/zinc/38/37/73/266383773.db2.gz MYTRICPPGKYDTC-SNVBAGLBSA-N -1 0 301.368 -0.024 20 0 DBADRM Cn1ncc(CCC(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)n1 ZINC000529102884 266384158 /nfs/dbraw/zinc/38/41/58/266384158.db2.gz GRJVIROIHNBJTF-SNVBAGLBSA-N -1 0 316.383 -0.239 20 0 DBADRM CC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)C1 ZINC000529109697 266384235 /nfs/dbraw/zinc/38/42/35/266384235.db2.gz REBXNUSFBLURKV-MNOVXSKESA-N -1 0 318.395 -0.132 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)[C@]2(C)CCC(=O)NC2)CO1 ZINC000529109676 266384255 /nfs/dbraw/zinc/38/42/55/266384255.db2.gz RCGRMIMROLDESO-NOZJJQNGSA-N -1 0 318.395 -0.084 20 0 DBADRM CC(C)[C@@H](CO)ONC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000529453895 266392379 /nfs/dbraw/zinc/39/23/79/266392379.db2.gz FTSBHWQPPCPLGO-WDEREUQCSA-N -1 0 308.400 -0.277 20 0 DBADRM CN(CC(=O)N=c1nc(C2(C)CC2)[n-]s1)S(C)(=O)=O ZINC000529702395 266394089 /nfs/dbraw/zinc/39/40/89/266394089.db2.gz DLZDOBYOZIXMDA-UHFFFAOYSA-N -1 0 304.397 -0.159 20 0 DBADRM O=C(NC[C@@H](O)[C@@H]1CCCO1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000529765059 266397586 /nfs/dbraw/zinc/39/75/86/266397586.db2.gz LAUGMMFPYOKGHK-ZJUUUORDSA-N -1 0 320.305 -0.294 20 0 DBADRM CCn1ncc(CNS(=O)(=O)c2cncc(C(=O)[O-])c2)n1 ZINC000530153954 266405756 /nfs/dbraw/zinc/40/57/56/266405756.db2.gz YXTYGJMDCXEYPZ-UHFFFAOYSA-N -1 0 311.323 -0.130 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)CCO1 ZINC000530155905 266406058 /nfs/dbraw/zinc/40/60/58/266406058.db2.gz ZMLTVTPMLGECQI-QMMMGPOBSA-N -1 0 319.339 -0.846 20 0 DBADRM Cc1c([C@@H](NS(=O)(=O)N2CCCC2)C(=O)[O-])cnn1C ZINC000530435399 266410668 /nfs/dbraw/zinc/41/06/68/266410668.db2.gz ZJHNKMAIPYRKLA-SNVBAGLBSA-N -1 0 302.356 -0.216 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@H]1CCNC(=O)C1 ZINC000530490618 266412507 /nfs/dbraw/zinc/41/25/07/266412507.db2.gz KLQVYXCIPIWHEK-QMMMGPOBSA-N -1 0 302.294 -0.167 20 0 DBADRM CC(=O)NCCN(C(=O)CCCS(C)(=O)=O)[C@H](C)C(=O)[O-] ZINC000262295206 278104465 /nfs/dbraw/zinc/10/44/65/278104465.db2.gz ZILNETYKOJYREZ-SECBINFHSA-N -1 0 322.383 -0.751 20 0 DBADRM CC(=O)NCCN(C(=O)CNC(=O)C(C)(C)C)[C@H](C)C(=O)[O-] ZINC000262176488 278104608 /nfs/dbraw/zinc/10/46/08/278104608.db2.gz DZHNMJSEBGHJCU-SECBINFHSA-N -1 0 315.370 -0.414 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc2nncn2c1)[C@@H](C)C(=O)[O-] ZINC000262205043 278108488 /nfs/dbraw/zinc/10/84/88/278108488.db2.gz IWRQYCYQRKQTOP-VIFPVBQESA-N -1 0 319.321 -0.219 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)c2cccc(C(=O)[O-])n2)CCO1 ZINC000262374980 278123840 /nfs/dbraw/zinc/12/38/40/278123840.db2.gz HFOKFYUBIRUGOE-JTQLQIEISA-N -1 0 307.306 -0.243 20 0 DBADRM CC(=O)N[C@H](CC(=O)N=c1nc(C(C)(C)C)[n-]s1)C(N)=O ZINC000345951413 278170865 /nfs/dbraw/zinc/17/08/65/278170865.db2.gz KXNQSUXBVVXSEJ-SSDOTTSWSA-N -1 0 313.383 -0.424 20 0 DBADRM CC(C)(CCC(=O)[O-])NS(=O)(=O)CCS(C)(=O)=O ZINC000063142681 278600729 /nfs/dbraw/zinc/60/07/29/278600729.db2.gz CCASWUJMXUJIFI-UHFFFAOYSA-N -1 0 301.386 -0.406 20 0 DBADRM CC(C)c1[n-]n(C)c(=O)c1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000270983152 278706416 /nfs/dbraw/zinc/70/64/16/278706416.db2.gz DYCGLYJYBHKIEL-IUCAKERBSA-N -1 0 301.368 -0.610 20 0 DBADRM CC(C)CN(CC(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000059880864 278837833 /nfs/dbraw/zinc/83/78/33/278837833.db2.gz NYEMJILCYVNZHW-UHFFFAOYSA-N -1 0 317.367 -0.145 20 0 DBADRM CC(C)CN1CCN(C(=O)c2cnc([O-])n(C)c2=O)[C@H](C)C1=O ZINC000408379102 278893956 /nfs/dbraw/zinc/89/39/56/278893956.db2.gz YIPKBSPTABMAJJ-SNVBAGLBSA-N -1 0 322.365 -0.185 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000378459576 278937300 /nfs/dbraw/zinc/93/73/00/278937300.db2.gz UHERUTMDHJGZTR-SNVBAGLBSA-N -1 0 307.368 -0.241 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCNC(=O)[C@H]1C)C(=O)[O-] ZINC000424497592 279144875 /nfs/dbraw/zinc/14/48/75/279144875.db2.gz VHUJDQYQOJKUAK-NXEZZACHSA-N -1 0 313.354 -0.804 20 0 DBADRM CC(C)[C@H](C(=O)NC[C@@H](C)C(=O)[O-])N1CCCS1(=O)=O ZINC000262080764 280171734 /nfs/dbraw/zinc/17/17/34/280171734.db2.gz KEPSGGOHLIXNEM-NXEZZACHSA-N -1 0 306.384 -0.117 20 0 DBADRM CC(C)[C@H]1C(=O)NCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC000332749465 280362159 /nfs/dbraw/zinc/36/21/59/280362159.db2.gz UNNRFOUTQGEBJE-NSHDSACASA-N -1 0 303.322 -0.381 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1C ZINC000274932757 288756032 /nfs/dbraw/zinc/75/60/32/288756032.db2.gz PJARKEZFWISKDY-MRVPVSSYSA-N -1 0 318.355 -0.873 20 0 DBADRM CO[C@@H](CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC000263073614 293540169 /nfs/dbraw/zinc/54/01/69/293540169.db2.gz KEWPFCXILMVJKU-JGVFFNPUSA-N -1 0 310.372 -0.834 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000360572686 295499499 /nfs/dbraw/zinc/49/94/99/295499499.db2.gz YISZMMLFORBOMD-VIFPVBQESA-N -1 0 313.397 -0.310 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC000262249598 295521236 /nfs/dbraw/zinc/52/12/36/295521236.db2.gz WUCIGPPIDFDQFM-LPEHRKFASA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@](O)(CNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)[O-] ZINC000349051660 297851109 /nfs/dbraw/zinc/85/11/09/297851109.db2.gz VXHMLUDERRWTLC-TVLCNXBWSA-N -1 0 312.322 -0.887 20 0 DBADRM C[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@]2(CCCOC2)O1 ZINC000330064549 300205969 /nfs/dbraw/zinc/20/59/69/300205969.db2.gz CKASPHNDXDKHBJ-BONVTDFDSA-N -1 0 323.349 -0.104 20 0 DBADRM C[C@H]1CN(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C[C@H](C)O1 ZINC000131792905 300284867 /nfs/dbraw/zinc/28/48/67/300284867.db2.gz ADOKMWRSGLGGDB-UWVGGRQHSA-N -1 0 322.383 -0.436 20 0 DBADRM C[C@](O)(CNC(=O)CCS(=O)(=O)C1CCCC1)C(=O)[O-] ZINC000262381037 300737800 /nfs/dbraw/zinc/73/78/00/300737800.db2.gz KKJFUMAXNMNIEY-LBPRGKRZSA-N -1 0 307.368 -0.314 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1CSCN1C(=O)C1CCC1)C(=O)[O-] ZINC000349084214 300738508 /nfs/dbraw/zinc/73/85/08/300738508.db2.gz VFPQNRMSPYGTRY-ZANVPECISA-N -1 0 316.379 -0.360 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N3CCOC[C@@H]3C(=O)[O-])nc2n1 ZINC000262324991 301258337 /nfs/dbraw/zinc/25/83/37/301258337.db2.gz ROIWGPOZSJIVSZ-SECBINFHSA-N -1 0 305.294 -0.333 20 0 DBADRM NC(=O)CC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000352602174 303240515 /nfs/dbraw/zinc/24/05/15/303240515.db2.gz QLFOOPGNFBLRAD-ZWNOBZJWSA-N -1 0 319.317 -0.595 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000570632390 332786527 /nfs/dbraw/zinc/78/65/27/332786527.db2.gz MLUROYZJSIVYPG-RHYQMDGZSA-N -1 0 312.366 -0.215 20 0 DBADRM Cc1nccn1C[C@@H](C)CNC(=O)C(=O)NCCCC(=O)[O-] ZINC000570928829 332842916 /nfs/dbraw/zinc/84/29/16/332842916.db2.gz RPJKCJUOVBSRNB-JTQLQIEISA-N -1 0 310.354 -0.075 20 0 DBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2ccnn2C)C1 ZINC000570925960 332843732 /nfs/dbraw/zinc/84/37/32/332843732.db2.gz MEHGXHNYCAQFKH-RKDXNWHRSA-N -1 0 303.340 -0.327 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CO1 ZINC000574916727 332850226 /nfs/dbraw/zinc/85/02/26/332850226.db2.gz CVLFBCUSDUMEKX-USXUVBGUSA-N -1 0 310.350 -0.007 20 0 DBADRM COCC1(S(=O)(=O)N2CC[C@](COC)(C(=O)[O-])C2)CC1 ZINC000575057166 332886606 /nfs/dbraw/zinc/88/66/06/332886606.db2.gz IKTQMSWGCTXPSD-NSHDSACASA-N -1 0 307.368 -0.082 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1cnccc1C)C(=O)[O-] ZINC000583997784 331539995 /nfs/dbraw/zinc/53/99/95/331539995.db2.gz UGGFDZVBWUZDTR-QMMMGPOBSA-N -1 0 302.308 -0.315 20 0 DBADRM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NCCCC(=O)[O-] ZINC000569123732 331827756 /nfs/dbraw/zinc/82/77/56/331827756.db2.gz WDVKDYJAIDLHKE-VHSXEESVSA-N -1 0 302.327 -0.722 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000566115771 331970120 /nfs/dbraw/zinc/97/01/20/331970120.db2.gz GPGMZEAOFAXAQC-SNVBAGLBSA-N -1 0 313.339 -0.259 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)CCO1 ZINC000566119067 331973591 /nfs/dbraw/zinc/97/35/91/331973591.db2.gz PPVQFBJEFKUVFU-UHFFFAOYSA-N -1 0 322.383 -0.747 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000566174371 332018126 /nfs/dbraw/zinc/01/81/26/332018126.db2.gz QBKQQAYIZJVEFM-VLEAKVRGSA-N -1 0 304.368 -0.063 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000566178372 332021378 /nfs/dbraw/zinc/02/13/78/332021378.db2.gz URQMZNXRRJXEHV-UHFFFAOYSA-N -1 0 317.367 -0.017 20 0 DBADRM COCC1(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)CC1 ZINC000569461089 332093466 /nfs/dbraw/zinc/09/34/66/332093466.db2.gz MIDYZCUSXJUYEM-IUCAKERBSA-N -1 0 320.367 -0.854 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000569484830 332101781 /nfs/dbraw/zinc/10/17/81/332101781.db2.gz NNIURWLLZREGBC-DTWKUNHWSA-N -1 0 308.356 -0.937 20 0 DBADRM Cc1ccccc1C(=O)NCC(=O)NCCc1nc(=O)o[n-]1 ZINC000569543105 332131964 /nfs/dbraw/zinc/13/19/64/332131964.db2.gz ACOPSZRBTAEWMO-UHFFFAOYSA-N -1 0 304.306 -0.240 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000584259210 332171176 /nfs/dbraw/zinc/17/11/76/332171176.db2.gz CDHSQJLCLKCEOA-LURJTMIESA-N -1 0 309.262 -0.981 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCCCOCCO)c1 ZINC000584291216 332220039 /nfs/dbraw/zinc/22/00/39/332220039.db2.gz GCDBVXLUHIENPO-UHFFFAOYSA-N -1 0 310.306 -0.162 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000574210896 332333342 /nfs/dbraw/zinc/33/33/42/332333342.db2.gz RALJZBLTUOUAGL-SFGNSQDASA-N -1 0 303.340 -0.357 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)[C@H]1CCO[C@@H]1C)C(=O)[O-] ZINC000578366332 332354999 /nfs/dbraw/zinc/35/49/99/332354999.db2.gz XAVBZINXGOBTGU-HLTSFMKQSA-N -1 0 309.340 -0.510 20 0 DBADRM CO[C@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2cn(C)nc2C)C1 ZINC000569966436 332697675 /nfs/dbraw/zinc/69/76/75/332697675.db2.gz ARLKRVCURBNDAP-ZJUUUORDSA-N -1 0 317.367 -0.019 20 0 DBADRM CS(=O)(=O)c1cccc(CS(=O)(=O)NCC(=O)[O-])c1 ZINC000570276214 332732621 /nfs/dbraw/zinc/73/26/21/332732621.db2.gz FLLOFDZJJOYBJF-UHFFFAOYSA-N -1 0 307.349 -0.406 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)cn1C ZINC000570323611 332739299 /nfs/dbraw/zinc/73/92/99/332739299.db2.gz YJAWODQVDVGZCL-MWLCHTKSSA-N -1 0 317.367 -0.113 20 0 DBADRM CCCN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000580149616 332963587 /nfs/dbraw/zinc/96/35/87/332963587.db2.gz AQIRCWDRBVIKFC-PWSUYJOCSA-N -1 0 306.384 -0.004 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000584329342 333034655 /nfs/dbraw/zinc/03/46/55/333034655.db2.gz AODXYJNOAYNPGS-MNOVXSKESA-N -1 0 324.399 -0.331 20 0 DBADRM COC(=O)Cn1cc(CNC(=O)C2(CC(=O)[O-])CCC2)nn1 ZINC000582066309 333197322 /nfs/dbraw/zinc/19/73/22/333197322.db2.gz XOOCIMNKBMQBHT-UHFFFAOYSA-N -1 0 310.310 -0.288 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1)C1CC1 ZINC000582120417 333298849 /nfs/dbraw/zinc/29/88/49/333298849.db2.gz VMRACZGTIOYZLZ-JQWIXIFHSA-N -1 0 307.368 -0.035 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000571562634 333816271 /nfs/dbraw/zinc/81/62/71/333816271.db2.gz RSLBVYWPKVAVAB-ZYHUDNBSSA-N -1 0 322.365 -0.123 20 0 DBADRM CNC(=O)C1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000583630819 336007500 /nfs/dbraw/zinc/00/75/00/336007500.db2.gz VEVUIXNAZPSDDW-UHFFFAOYSA-N -1 0 305.290 -0.472 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1cnccc1C(F)(F)F ZINC000583668661 336286281 /nfs/dbraw/zinc/28/62/81/336286281.db2.gz LBVWBNRLEIPWOU-LURJTMIESA-N -1 0 314.241 -0.176 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)NCCSCC(=O)[O-])C[C@H](C)O1 ZINC000389497033 336396297 /nfs/dbraw/zinc/39/62/97/336396297.db2.gz ZNXSKSCWCKYWHX-DTORHVGOSA-N -1 0 312.413 -0.252 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000390390127 336937361 /nfs/dbraw/zinc/93/73/61/336937361.db2.gz PQWRRPOMDPRDFV-LURJTMIESA-N -1 0 317.314 -0.667 20 0 DBADRM C[C@H](O)[C@@H](NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-] ZINC000582409323 336965454 /nfs/dbraw/zinc/96/54/54/336965454.db2.gz RRDPTGNPTLPAMY-GXSJLCMTSA-N -1 0 309.384 -0.053 20 0 DBADRM CC(C)(C)c1cc(NC[C@@H](O)Cn2ccnn2)nc(C(=O)[O-])n1 ZINC000582549411 337103802 /nfs/dbraw/zinc/10/38/02/337103802.db2.gz ZYXKJSHHNQFULC-SECBINFHSA-N -1 0 320.353 -0.041 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(C)C ZINC000394355776 337111548 /nfs/dbraw/zinc/11/15/48/337111548.db2.gz VEDNUSMQSFVUOT-SNVBAGLBSA-N -1 0 305.356 -0.083 20 0 DBADRM O=C([O-])[C@]1(NC(=O)NCCCO[C@@H]2CCOC2)CCOC1 ZINC000582643868 337114137 /nfs/dbraw/zinc/11/41/37/337114137.db2.gz DEJZOVPKVPHPIA-MFKMUULPSA-N -1 0 302.327 -0.275 20 0 DBADRM Cn1nccc1[C@@H](CO)NS(=O)(=O)c1c(Cl)cnn1C ZINC000582616554 337115180 /nfs/dbraw/zinc/11/51/80/337115180.db2.gz HRGWQVRYNJCVLX-MRVPVSSYSA-N -1 0 319.774 -0.181 20 0 DBADRM COCCOCCOCCS(=O)(=O)[N-]c1cncnc1 ZINC000582670417 337118918 /nfs/dbraw/zinc/11/89/18/337118918.db2.gz XWEBDRYOPUQRFX-UHFFFAOYSA-N -1 0 305.356 -0.102 20 0 DBADRM CN1CC[C@@H](NS(=O)(=O)c2cccc(CC(=O)[O-])c2)C1=O ZINC000582789521 337166634 /nfs/dbraw/zinc/16/66/34/337166634.db2.gz CVDADMRREFYUTQ-LLVKDONJSA-N -1 0 312.347 -0.177 20 0 DBADRM COC(=O)c1cc(C)ccc1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000582797774 337170188 /nfs/dbraw/zinc/17/01/88/337170188.db2.gz ZIZUGKMXOLICIT-SECBINFHSA-N -1 0 317.319 -0.495 20 0 DBADRM CN(Cc1ccccc1)C(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000396628142 337241783 /nfs/dbraw/zinc/24/17/83/337241783.db2.gz DSOLXFRZLOFIPG-UHFFFAOYSA-N -1 0 319.361 -0.126 20 0 DBADRM C[C@H](CC(=O)[O-])N(CCO)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000583158858 337247874 /nfs/dbraw/zinc/24/78/74/337247874.db2.gz SUJOORKWOKGVTI-NXEZZACHSA-N -1 0 322.383 -0.617 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCCCF ZINC000583162592 337248304 /nfs/dbraw/zinc/24/83/04/337248304.db2.gz FVRSVBULEKPIJB-MRVPVSSYSA-N -1 0 317.360 -0.751 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1)C1CC1 ZINC000583202204 337268784 /nfs/dbraw/zinc/26/87/84/337268784.db2.gz SWVQYIHLTBTZHU-GHMZBOCLSA-N -1 0 307.368 -0.083 20 0 DBADRM CN(CCOCCO)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000583204763 337270567 /nfs/dbraw/zinc/27/05/67/337270567.db2.gz UCRHVVWBHCOVFY-UHFFFAOYSA-N -1 0 310.306 -0.209 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(c2nc3[nH][nH]cc-3c(=N)n2)CC1 ZINC000584410383 337321087 /nfs/dbraw/zinc/32/10/87/337321087.db2.gz BIGCAOSHUZLORK-JOCHJYFZSA-N -1 0 324.366 -0.481 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@H](CC)C(=O)[O-])CC1 ZINC000035410773 337343495 /nfs/dbraw/zinc/34/34/95/337343495.db2.gz PMBMTWOWPDXHHM-SNVBAGLBSA-N -1 0 322.383 -0.041 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)[C@H](C)CO1 ZINC000035784391 337349706 /nfs/dbraw/zinc/34/97/06/337349706.db2.gz DEWIZQQNTQDQOQ-RKDXNWHRSA-N -1 0 303.340 -0.234 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000036161794 337351880 /nfs/dbraw/zinc/35/18/80/337351880.db2.gz RSCZKTGRNHADEV-UHFFFAOYSA-N -1 0 319.360 -0.196 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCS(=O)(=O)CC2)c[nH]1 ZINC000036161776 337351892 /nfs/dbraw/zinc/35/18/92/337351892.db2.gz QIFPFSKLMMWPFL-UHFFFAOYSA-N -1 0 308.337 -0.868 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1C(=O)[O-] ZINC000036161768 337351913 /nfs/dbraw/zinc/35/19/13/337351913.db2.gz XNHISGYIDVDQHQ-UHFFFAOYSA-N -1 0 322.364 -0.858 20 0 DBADRM CC[C@H]1COCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000036325856 337353112 /nfs/dbraw/zinc/35/31/12/337353112.db2.gz JKOOXYHOJJHONR-VIFPVBQESA-N -1 0 303.340 -0.233 20 0 DBADRM CCn1cc(S(=O)(=O)N(C)CC(=O)NC)cc1C(=O)[O-] ZINC000036864287 337360619 /nfs/dbraw/zinc/36/06/19/337360619.db2.gz ZURXLBFRUPQLGH-UHFFFAOYSA-N -1 0 303.340 -0.427 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])C1 ZINC000036983410 337361701 /nfs/dbraw/zinc/36/17/01/337361701.db2.gz NPEDXCBILXFEQV-HLTSFMKQSA-N -1 0 307.372 -0.873 20 0 DBADRM O=C([O-])[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000584564362 337362989 /nfs/dbraw/zinc/36/29/89/337362989.db2.gz MSVFVEHELFOBOY-KOLCDFICSA-N -1 0 300.336 -0.072 20 0 DBADRM COc1cc(C)c(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1OC ZINC000037418709 337363758 /nfs/dbraw/zinc/36/37/58/337363758.db2.gz CWKAXVQKFXVPTR-QMMMGPOBSA-N -1 0 319.335 -0.264 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCCC(=O)[O-])C1 ZINC000037465277 337364055 /nfs/dbraw/zinc/36/40/55/337364055.db2.gz MPMZBTGRJWOLNF-SNVBAGLBSA-N -1 0 322.383 -0.039 20 0 DBADRM CCn1cc(S(=O)(=O)NCCC(=O)N(C)C)cc1C(=O)[O-] ZINC000037751261 337367676 /nfs/dbraw/zinc/36/76/76/337367676.db2.gz ZUHHUVJMROUNKN-UHFFFAOYSA-N -1 0 317.367 -0.037 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000037932304 337369003 /nfs/dbraw/zinc/36/90/03/337369003.db2.gz KXSJESNRWIENGY-JTQLQIEISA-N -1 0 322.383 -0.087 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)CC1(C(=O)OC)CCC1 ZINC000571968785 337584618 /nfs/dbraw/zinc/58/46/18/337584618.db2.gz NDYHBXGRRTYHNP-SECBINFHSA-N -1 0 323.367 -0.309 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1ncnn1C ZINC000572243809 337598509 /nfs/dbraw/zinc/59/85/09/337598509.db2.gz RHYUZEJHARDRLX-KXUCPTDWSA-N -1 0 323.353 -0.439 20 0 DBADRM COCc1cc(N2CCO[C@H](CC(=O)[O-])C2)n2ncnc2n1 ZINC000574992739 337670311 /nfs/dbraw/zinc/67/03/11/337670311.db2.gz VYSNFBXRXQMWKU-SNVBAGLBSA-N -1 0 307.310 -0.049 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1F ZINC000580465594 337679592 /nfs/dbraw/zinc/67/95/92/337679592.db2.gz OOPUIQIKTLAABP-SECBINFHSA-N -1 0 321.282 -0.664 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N2CC(=O)N(C)C(=O)C2)c1 ZINC000575001765 338532379 /nfs/dbraw/zinc/53/23/79/338532379.db2.gz MVAQNSXLWCWIFK-QFIPXVFZSA-N -1 0 324.358 -0.370 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000566118736 341548180 /nfs/dbraw/zinc/54/81/80/341548180.db2.gz YTIQYDATFGPJBC-WPRPVWTQSA-N -1 0 303.340 -0.422 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(c3nccn4nnnc34)C2)nn1 ZINC000566564087 341561971 /nfs/dbraw/zinc/56/19/71/341561971.db2.gz QRIZSUZGWNXWML-MRVPVSSYSA-N -1 0 315.297 -0.350 20 0 DBADRM Cc1nc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)no1 ZINC000567235292 341590479 /nfs/dbraw/zinc/59/04/79/341590479.db2.gz DIFOJCLOVVFOHI-APPZFPTMSA-N -1 0 310.310 -0.437 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCCCS(N)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000567382363 341600299 /nfs/dbraw/zinc/60/02/99/341600299.db2.gz DMTLDPZZIZWFEK-ZJUUUORDSA-N -1 0 321.399 -0.193 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000567692597 341628003 /nfs/dbraw/zinc/62/80/03/341628003.db2.gz XZFLOCLMCHZEPA-SCZZXKLOSA-N -1 0 305.356 -0.110 20 0 DBADRM O=C([O-])CN(C(=O)[C@H](O)C1CCOCC1)C1CCOCC1 ZINC000567877952 341638268 /nfs/dbraw/zinc/63/82/68/341638268.db2.gz XDXSTNIBMBSYJP-CYBMUJFWSA-N -1 0 301.339 -0.134 20 0 DBADRM COCC1(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])CC1 ZINC000568989036 341686770 /nfs/dbraw/zinc/68/67/70/341686770.db2.gz GERPRZRPQTUHHE-NTCNTBNZSA-N -1 0 311.381 -0.987 20 0 DBADRM O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)c1n[nH]c(=O)[n-]1 ZINC000573005797 341713088 /nfs/dbraw/zinc/71/30/88/341713088.db2.gz CCOGHKYLEAVHCD-ZCFIWIBFSA-N -1 0 309.248 -0.497 20 0 DBADRM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)Cn2cnnn2)C1 ZINC000574159149 341750383 /nfs/dbraw/zinc/75/03/83/341750383.db2.gz GTPWEQFVONHXOY-AWEZNQCLSA-N -1 0 301.306 -0.072 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000574319925 341755256 /nfs/dbraw/zinc/75/52/56/341755256.db2.gz VFCWQEKDZKAHBY-DTORHVGOSA-N -1 0 323.334 -0.196 20 0 DBADRM CCn1nnnc1-c1cccc(NC(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000574592257 341763126 /nfs/dbraw/zinc/76/31/26/341763126.db2.gz XAUGGWBQQIZCSF-JTQLQIEISA-N -1 0 320.309 -0.073 20 0 DBADRM CO[C@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2cn(C)cn2)C1 ZINC000574635921 341764367 /nfs/dbraw/zinc/76/43/67/341764367.db2.gz XAKNCIQVRYZAFT-BDAKNGLRSA-N -1 0 303.340 -0.327 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)NC[C@@H](OC)C(=O)[O-])CC1 ZINC000575852231 341810543 /nfs/dbraw/zinc/81/05/43/341810543.db2.gz WOXIYLOKHJWYGI-MRVPVSSYSA-N -1 0 309.340 -0.651 20 0 DBADRM COc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c(F)c1 ZINC000575968221 341817574 /nfs/dbraw/zinc/81/75/74/341817574.db2.gz RROODIDMTCDNMK-VIFPVBQESA-N -1 0 307.299 -0.052 20 0 DBADRM Cn1nccc1CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000576098580 341826086 /nfs/dbraw/zinc/82/60/86/341826086.db2.gz HHJCGCLTKAUPKG-UHFFFAOYSA-N -1 0 316.368 -0.176 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CSCC(=O)[O-] ZINC000576279121 341837833 /nfs/dbraw/zinc/83/78/33/341837833.db2.gz IASVQJYLQGCJGG-RKDXNWHRSA-N -1 0 324.424 -0.362 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ncn(C)n1 ZINC000576346026 341841674 /nfs/dbraw/zinc/84/16/74/341841674.db2.gz DDSLYYSPSCTYOM-LPEHRKFASA-N -1 0 323.353 -0.439 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000576391303 341843720 /nfs/dbraw/zinc/84/37/20/341843720.db2.gz RVLURHQUUVAJLC-GXSJLCMTSA-N -1 0 317.367 -0.113 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCCC(=O)NCC(=O)[O-])C1 ZINC000576459787 341847419 /nfs/dbraw/zinc/84/74/19/341847419.db2.gz XQKFOQYAXROPGR-NXEZZACHSA-N -1 0 321.399 -0.610 20 0 DBADRM Cc1cccn2c(=O)c(C(=O)NC[C@@](C)(O)C(=O)[O-])cnc12 ZINC000576464789 341847825 /nfs/dbraw/zinc/84/78/25/341847825.db2.gz PCAMRGZJJFLVHI-CQSZACIVSA-N -1 0 305.290 -0.432 20 0 DBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC000576647944 341856895 /nfs/dbraw/zinc/85/68/95/341856895.db2.gz JSABCIJYKINSLE-IVZWLZJFSA-N -1 0 305.352 -0.346 20 0 DBADRM Cc1c(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)cnn1C ZINC000576717670 341860089 /nfs/dbraw/zinc/86/00/89/341860089.db2.gz LWYZHTMRNJVICW-ONGXEEELSA-N -1 0 317.367 -0.425 20 0 DBADRM Cc1c(C(=O)N[C@H](C)C(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000580556314 341876370 /nfs/dbraw/zinc/87/63/70/341876370.db2.gz LCNUMHOYALRESF-SSDOTTSWSA-N -1 0 320.305 -0.856 20 0 DBADRM Cc1oc(S(=O)(=O)NCc2nncn2C)cc1C(=O)[O-] ZINC000580559463 341876753 /nfs/dbraw/zinc/87/67/53/341876753.db2.gz ISSMEWRXQBJZAA-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)[C@H]2CCO[C@H]2C)C(=O)[O-])c1 ZINC000577181103 341895008 /nfs/dbraw/zinc/89/50/08/341895008.db2.gz MGBWLHPGYCOLDG-DCAQKATOSA-N -1 0 317.367 -0.258 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)[C@@H]2CCO[C@H]2C)C(=O)[O-])c1 ZINC000577181104 341895072 /nfs/dbraw/zinc/89/50/72/341895072.db2.gz MGBWLHPGYCOLDG-GARJFASQSA-N -1 0 317.367 -0.258 20 0 DBADRM CSC[C@](C)(O)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000577218992 341898095 /nfs/dbraw/zinc/89/80/95/341898095.db2.gz PSDNATZCSMLEIF-WCBMZHEXSA-N -1 0 312.413 -0.516 20 0 DBADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000577378806 341906857 /nfs/dbraw/zinc/90/68/57/341906857.db2.gz FRKOVHAUGGMBCX-RNFRBKRXSA-N -1 0 324.346 -0.110 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000577497208 341912903 /nfs/dbraw/zinc/91/29/03/341912903.db2.gz VQASOTBNUPRPPG-DOLQZWNJSA-N -1 0 305.352 -0.347 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000577572065 341918954 /nfs/dbraw/zinc/91/89/54/341918954.db2.gz DYFBJTKWUOUGIM-WCQYABFASA-N -1 0 318.395 -0.004 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N(C)[C@@H](C)CC(=O)[O-] ZINC000577652059 341927580 /nfs/dbraw/zinc/92/75/80/341927580.db2.gz ZZKNLDJZNDVMDA-JTQLQIEISA-N -1 0 324.399 -0.348 20 0 DBADRM COCCOC1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000577950634 341956998 /nfs/dbraw/zinc/95/69/98/341956998.db2.gz UBIIJSQGFSIKQZ-UHFFFAOYSA-N -1 0 305.312 -0.856 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC1(C(=O)[O-])CCC1 ZINC000263170796 519769568 /nfs/dbraw/zinc/76/95/68/519769568.db2.gz RLWLYTBDIQNRRY-UHFFFAOYSA-N -1 0 322.383 -0.546 20 0 DBADRM C[C@@H](CNS(=O)(=O)[N-]CC(F)(F)F)CN1CCOCC1 ZINC000195278327 534072878 /nfs/dbraw/zinc/07/28/78/534072878.db2.gz NZBVKZRJBIJAEP-VIFPVBQESA-N -1 0 319.349 -0.059 20 0 DBADRM NC(=O)Cn1ccc(=NC(=O)N=c2ccc(C3CC3)n[n-]2)[nH]1 ZINC000446340337 534376536 /nfs/dbraw/zinc/37/65/36/534376536.db2.gz GBWRCMGZZDBMOG-UHFFFAOYSA-N -1 0 301.310 -0.476 20 0 DBADRM CC(C)(CCNC(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)C(=O)[O-] ZINC000333570464 519215463 /nfs/dbraw/zinc/21/54/63/519215463.db2.gz MKOKYTUBWXQDSC-UWVGGRQHSA-N -1 0 313.354 -0.214 20 0 DBADRM CC(C)C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC000037429931 519246051 /nfs/dbraw/zinc/24/60/51/519246051.db2.gz CFKDEFRWJSDABE-SECBINFHSA-N -1 0 317.367 -0.098 20 0 DBADRM CC(C)C[C@H](CNC(=O)NCC(=O)N1CCOCC1)C(=O)[O-] ZINC000317028501 519349791 /nfs/dbraw/zinc/34/97/91/519349791.db2.gz MAYLKTKZGYVNJO-LLVKDONJSA-N -1 0 315.370 -0.109 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000330705786 519353390 /nfs/dbraw/zinc/35/33/90/519353390.db2.gz LBXHSGRZOHXQBM-UHFFFAOYSA-N -1 0 315.399 -0.483 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1nccnc1N)C(=O)[O-] ZINC000263292179 519384691 /nfs/dbraw/zinc/38/46/91/519384691.db2.gz RGOLGEFPINEHDV-QMMMGPOBSA-N -1 0 309.326 -0.596 20 0 DBADRM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000366320946 519523016 /nfs/dbraw/zinc/52/30/16/519523016.db2.gz VRVQYGMJHBANGJ-GHMZBOCLSA-N -1 0 322.383 -0.858 20 0 DBADRM CC(=O)NCCN(C(=O)Cn1ccc(C)cc1=O)[C@@H](C)C(=O)[O-] ZINC000263403492 519661930 /nfs/dbraw/zinc/66/19/30/519661930.db2.gz HDBXUPNIIXXLFH-NSHDSACASA-N -1 0 323.349 -0.405 20 0 DBADRM CC(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000035237089 519667648 /nfs/dbraw/zinc/66/76/48/519667648.db2.gz BMPCWBIJIOGCHQ-UHFFFAOYSA-N -1 0 316.335 -0.187 20 0 DBADRM CC(C)[C@@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000269094617 519796406 /nfs/dbraw/zinc/79/64/06/519796406.db2.gz YVVMWSMKXNHHQG-MVIFTORASA-N -1 0 309.322 -0.677 20 0 DBADRM CC(C)[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000036972708 519796741 /nfs/dbraw/zinc/79/67/41/519796741.db2.gz LBDBREXUOBDLTO-SNVBAGLBSA-N -1 0 306.384 -0.117 20 0 DBADRM CC(C)[C@@H]1C[C@H]1NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000331914262 519806270 /nfs/dbraw/zinc/80/62/70/519806270.db2.gz DOHNSUJXONZMNA-AEJSXWLSSA-N -1 0 304.368 -0.076 20 0 DBADRM CCCNC(=O)CCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000262284061 519867597 /nfs/dbraw/zinc/86/75/97/519867597.db2.gz XFFNHDBCGICTSL-JTQLQIEISA-N -1 0 315.370 -0.269 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cccc2c1OCC(=O)N2 ZINC000447633120 534501304 /nfs/dbraw/zinc/50/13/04/534501304.db2.gz USDXNGFXWRWUBS-UHFFFAOYSA-N -1 0 304.262 -0.334 20 0 DBADRM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000227306421 520521636 /nfs/dbraw/zinc/52/16/36/520521636.db2.gz RIRVOCXCHCXZFH-BXKDBHETSA-N -1 0 322.383 -0.858 20 0 DBADRM CC1(C)C[C@@H]1CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000332120872 520535241 /nfs/dbraw/zinc/53/52/41/520535241.db2.gz HMRIDYIEQRASIS-RKDXNWHRSA-N -1 0 304.368 -0.074 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(-n2cnnc2)cc1 ZINC000447631790 534501155 /nfs/dbraw/zinc/50/11/55/534501155.db2.gz AWXODAHFZWCOHD-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(-n2cncn2)cc1 ZINC000447631950 534501611 /nfs/dbraw/zinc/50/16/11/534501611.db2.gz BOMOMQDWWRIVKO-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCOC)C1)c1nnn[n-]1 ZINC000343736529 520746070 /nfs/dbraw/zinc/74/60/70/520746070.db2.gz VPDOQAUOXSJROU-NXEZZACHSA-N -1 0 310.358 -0.348 20 0 DBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CC(=O)OC ZINC000346451708 520815314 /nfs/dbraw/zinc/81/53/14/520815314.db2.gz QDZFKUWPCZEWNO-LURJTMIESA-N -1 0 321.273 -0.037 20 0 DBADRM CCOC(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000267557260 520951541 /nfs/dbraw/zinc/95/15/41/520951541.db2.gz FZGNHFGNIOWBCQ-UHFFFAOYSA-N -1 0 310.310 -0.600 20 0 DBADRM CC1CCN(C(=O)CN2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])CC1 ZINC000333647563 520976735 /nfs/dbraw/zinc/97/67/35/520976735.db2.gz YKEVCUDVJQYUOC-JTQLQIEISA-N -1 0 323.353 -0.489 20 0 DBADRM CCC[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000262340779 521124031 /nfs/dbraw/zinc/12/40/31/521124031.db2.gz CODFOAXOHSNHQE-VIFPVBQESA-N -1 0 307.372 -0.729 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2cnn(-c3ncccn3)c2)c1[O-] ZINC000348582278 521142503 /nfs/dbraw/zinc/14/25/03/521142503.db2.gz PYURRFUKQNZBIJ-SECBINFHSA-N -1 0 316.277 -0.350 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000261912777 521663959 /nfs/dbraw/zinc/66/39/59/521663959.db2.gz WQWVPYBRTLGORE-QWRGUYRKSA-N -1 0 318.395 -0.019 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000339291057 521670008 /nfs/dbraw/zinc/67/00/08/521670008.db2.gz QJQSVYQAEJEAAI-MRVPVSSYSA-N -1 0 317.371 -0.844 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344091730 521742062 /nfs/dbraw/zinc/74/20/62/521742062.db2.gz DTPLCSRPOJOCDO-IUCAKERBSA-N -1 0 310.358 -0.076 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cn1C ZINC000037418951 521790652 /nfs/dbraw/zinc/79/06/52/521790652.db2.gz RHEMQHNACJSYSE-SNVBAGLBSA-N -1 0 317.367 -0.228 20 0 DBADRM COCC[C@@](C)(O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000266578876 521897714 /nfs/dbraw/zinc/89/77/14/521897714.db2.gz UUSFUBKXVSHGTF-CQSZACIVSA-N -1 0 322.321 -0.047 20 0 DBADRM CN(C)S(=O)(=O)CCN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377606900 521950736 /nfs/dbraw/zinc/95/07/36/521950736.db2.gz MMDJEHSNFOAQAM-SECBINFHSA-N -1 0 303.388 -0.419 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](O)C2)c1 ZINC000343824277 521989679 /nfs/dbraw/zinc/98/96/79/521989679.db2.gz AIEROXIGDQGIDS-SECBINFHSA-N -1 0 314.363 -0.151 20 0 DBADRM COCC[C@](C)(O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000266578875 521997909 /nfs/dbraw/zinc/99/79/09/521997909.db2.gz UUSFUBKXVSHGTF-AWEZNQCLSA-N -1 0 322.321 -0.047 20 0 DBADRM COCCn1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC000261700937 522116437 /nfs/dbraw/zinc/11/64/37/522116437.db2.gz OFBWSCDCDSZHRB-VIFPVBQESA-N -1 0 303.340 -0.375 20 0 DBADRM CNS(=O)(=O)CCNC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000231017611 522197754 /nfs/dbraw/zinc/19/77/54/522197754.db2.gz XRVIJMAIKCDRNG-SECBINFHSA-N -1 0 309.388 -0.418 20 0 DBADRM COC[C@@H](O)CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000269542469 522416889 /nfs/dbraw/zinc/41/68/89/522416889.db2.gz LXOCUNQRNXJQFB-VIFPVBQESA-N -1 0 320.342 -0.066 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000263576091 522524620 /nfs/dbraw/zinc/52/46/20/522524620.db2.gz PYPFNXIKRGHQGX-UHFFFAOYSA-N -1 0 321.293 -0.487 20 0 DBADRM COCC(=O)N(C)CC(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000338028172 522720863 /nfs/dbraw/zinc/72/08/63/522720863.db2.gz KCYGOAJDQFMOOD-SSDOTTSWSA-N -1 0 302.356 -0.289 20 0 DBADRM COCc1cc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])no1 ZINC000262158778 522905603 /nfs/dbraw/zinc/90/56/03/522905603.db2.gz BRTVHFOWPYERBI-QMMMGPOBSA-N -1 0 313.310 -0.128 20 0 DBADRM COCc1nc(C(=O)NCc2cn(CC(=O)[O-])nn2)cs1 ZINC000262838433 523176579 /nfs/dbraw/zinc/17/65/79/523176579.db2.gz TWIGEPNHMQHCLP-UHFFFAOYSA-N -1 0 311.323 -0.104 20 0 DBADRM COC(=O)C[C@@H]1COCCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC000347468236 523303930 /nfs/dbraw/zinc/30/39/30/523303930.db2.gz SEWDYKWZZACSST-LLVKDONJSA-N -1 0 306.322 -0.214 20 0 DBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)n1 ZINC000265421141 523410783 /nfs/dbraw/zinc/41/07/83/523410783.db2.gz NSEMNGGMDFYWMW-VIFPVBQESA-N -1 0 303.340 -0.023 20 0 DBADRM COc1ccc(=NC(=O)N=c2ccn(CCN(C)C)[nH]2)[n-]n1 ZINC000346643482 523474485 /nfs/dbraw/zinc/47/44/85/523474485.db2.gz XWJASFPECFMEJK-UHFFFAOYSA-N -1 0 305.342 -0.269 20 0 DBADRM COc1ccc(=NC(=O)N=c2ccn(CCC(N)=O)[nH]2)[n-]n1 ZINC000346619385 523475292 /nfs/dbraw/zinc/47/52/92/523475292.db2.gz ITOYFHDYYXDAQI-UHFFFAOYSA-N -1 0 305.298 -0.955 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCCO1)c1ccn(C)n1 ZINC000345638792 523635783 /nfs/dbraw/zinc/63/57/83/523635783.db2.gz KHSYLHDHZYXEEQ-KOLCDFICSA-N -1 0 317.367 -0.267 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)CN(C)S(C)(=O)=O)s[n-]1 ZINC000338026210 523904788 /nfs/dbraw/zinc/90/47/88/523904788.db2.gz UULFPEIZXHHOQQ-ZCFIWIBFSA-N -1 0 308.385 -0.503 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)c1cnn(C)c1)c1ccn(C)n1 ZINC000345633745 523929102 /nfs/dbraw/zinc/92/91/02/523929102.db2.gz SWSOYIRVAKAQDO-SNVBAGLBSA-N -1 0 313.339 -0.654 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C)c1ccn(C)n1 ZINC000345724585 523929294 /nfs/dbraw/zinc/92/92/94/523929294.db2.gz QYPLGHNAFKYQQJ-FBIMIBRVSA-N -1 0 317.367 -0.269 20 0 DBADRM COC(=O)[C@H](O)CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000345202466 523935727 /nfs/dbraw/zinc/93/57/27/523935727.db2.gz RAVRSUFYJKWANA-SNVBAGLBSA-N -1 0 316.335 -0.678 20 0 DBADRM CN(C)C(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000160775099 524005758 /nfs/dbraw/zinc/00/57/58/524005758.db2.gz LDGOUCSOBSKTIY-UHFFFAOYSA-N -1 0 318.355 -0.727 20 0 DBADRM COCCOCC[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000134700685 524009925 /nfs/dbraw/zinc/00/99/25/524009925.db2.gz JXXYYMPUESZNKZ-UHFFFAOYSA-N -1 0 324.380 -0.129 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)N2CCOC(C)(C)C2)CCOC1 ZINC000346526141 524016985 /nfs/dbraw/zinc/01/69/85/524016985.db2.gz PGWQRNYATQNUSN-LBPRGKRZSA-N -1 0 322.383 -0.736 20 0 DBADRM CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000360134564 524080963 /nfs/dbraw/zinc/08/09/63/524080963.db2.gz XEAUPBRIJNQTCF-MRVPVSSYSA-N -1 0 312.269 -0.511 20 0 DBADRM Cc1cc(C(=O)NCc2nncn2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000344660896 524113423 /nfs/dbraw/zinc/11/34/23/524113423.db2.gz ZKLJYDVZWJWSJS-UHFFFAOYSA-N -1 0 315.293 -0.197 20 0 DBADRM C[C@@H]1CCCN(C(=O)CN2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])C1 ZINC000333628982 524191751 /nfs/dbraw/zinc/19/17/51/524191751.db2.gz VLYVFCFNDCNJGI-ZJUUUORDSA-N -1 0 323.353 -0.489 20 0 DBADRM C[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H](C)[S@]1=O ZINC000329522040 524791988 /nfs/dbraw/zinc/79/19/88/524791988.db2.gz QYZDSCDPBWRHRR-ONQGETEMSA-N -1 0 304.397 -0.030 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)cc1F ZINC000037417757 525071931 /nfs/dbraw/zinc/07/19/31/525071931.db2.gz HOQLUDVMEZOFCT-WKEGUHRASA-N -1 0 307.299 -0.053 20 0 DBADRM C[C@@H](NC(=O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1)C(=O)N(C)C ZINC000343761603 525105277 /nfs/dbraw/zinc/10/52/77/525105277.db2.gz DHVBDDVMUOPJAQ-SECBINFHSA-N -1 0 324.385 -0.717 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N[C@@H](C(=O)[O-])C2CC2)CC1 ZINC000054503142 525160562 /nfs/dbraw/zinc/16/05/62/525160562.db2.gz JIFSBUBFUPPJQK-SNVBAGLBSA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCCCC(=O)[O-] ZINC000263492944 525199885 /nfs/dbraw/zinc/19/98/85/525199885.db2.gz RTAZJOJTLOEHAX-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM Cc1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc(C)c1F ZINC000266054747 525404176 /nfs/dbraw/zinc/40/41/76/525404176.db2.gz SNGDZCRNKPPHPM-UHFFFAOYSA-N -1 0 318.326 -0.078 20 0 DBADRM C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000270428920 526252337 /nfs/dbraw/zinc/25/23/37/526252337.db2.gz HMPIPGOBDBXZMQ-MRVPVSSYSA-N -1 0 311.323 -0.196 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000262051860 526289235 /nfs/dbraw/zinc/28/92/35/526289235.db2.gz BWXCAMRIQLUJJX-WDEREUQCSA-N -1 0 316.379 -0.220 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)CC[C@@H]1CCCO1 ZINC000333640189 526292493 /nfs/dbraw/zinc/29/24/93/526292493.db2.gz XDMQHOCPRKUODI-IUCAKERBSA-N -1 0 310.310 -0.262 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)CC[C@H]1CCCO1 ZINC000333640184 526292856 /nfs/dbraw/zinc/29/28/56/526292856.db2.gz XDMQHOCPRKUODI-BDAKNGLRSA-N -1 0 310.310 -0.262 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCn1nc2ccccn2c1=O)C1CC1 ZINC000262194581 526308978 /nfs/dbraw/zinc/30/89/78/526308978.db2.gz UYJDKQOJOSVRLW-GFCCVEGCSA-N -1 0 304.306 -0.135 20 0 DBADRM Cc1noc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C ZINC000182726672 526640637 /nfs/dbraw/zinc/64/06/37/526640637.db2.gz LJSOYYVJPPZXHV-UHFFFAOYSA-N -1 0 314.323 -0.510 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCCc1nc(=O)o[n-]1 ZINC000333154966 526716079 /nfs/dbraw/zinc/71/60/79/526716079.db2.gz BJSQKKNSOPUEIQ-DTORHVGOSA-N -1 0 322.321 -0.803 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N1CC[C@H](C)C1 ZINC000262480263 526751454 /nfs/dbraw/zinc/75/14/54/526751454.db2.gz VQHHNPCWHMMWHP-UWVGGRQHSA-N -1 0 321.399 -0.516 20 0 DBADRM O=C(CN1CSCC1=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000262725061 526815925 /nfs/dbraw/zinc/81/59/25/526815925.db2.gz GHPUKBPNDIGAAQ-LDYMZIIASA-N -1 0 302.352 -0.485 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1C[C@@H](F)C[C@H]1CO ZINC000332048210 526878388 /nfs/dbraw/zinc/87/83/88/526878388.db2.gz ZAXAKQNPBPREJU-YUMQZZPRSA-N -1 0 308.269 -0.019 20 0 DBADRM NC(=O)Cn1cc([N-]S(=O)(=O)c2cccc3c2OCO3)cn1 ZINC000337758211 526915468 /nfs/dbraw/zinc/91/54/68/526915468.db2.gz NBWPUTXDNQJLFA-UHFFFAOYSA-N -1 0 324.318 -0.102 20 0 DBADRM O=C([N-][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(F)(F)F ZINC000365146304 526964925 /nfs/dbraw/zinc/96/49/25/526964925.db2.gz XNOLXHVCYZMZAI-SFYZADRCSA-N -1 0 316.301 -0.837 20 0 DBADRM Cn1cccc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c1=O ZINC000262403766 527378244 /nfs/dbraw/zinc/37/82/44/527378244.db2.gz OMEUVOUBKPDBKR-ZUZCIYMTSA-N -1 0 306.318 -0.051 20 0 DBADRM O=C(Cn1cnc2ccccc2c1=O)NC1(c2nnn[n-]2)CC1 ZINC000352212033 527403791 /nfs/dbraw/zinc/40/37/91/527403791.db2.gz XTYLJQJJODFFCR-UHFFFAOYSA-N -1 0 311.305 -0.285 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]OC[C@H]1CCOC1 ZINC000365092457 527421145 /nfs/dbraw/zinc/42/11/45/527421145.db2.gz ZMCCSHPLOGYXHO-NSHDSACASA-N -1 0 310.354 -0.145 20 0 DBADRM Cn1nc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c(=O)c2ccccc21 ZINC000345900340 527547672 /nfs/dbraw/zinc/54/76/72/527547672.db2.gz GYOMICODYRTJBH-OAHLLOKOSA-N -1 0 317.301 -0.093 20 0 DBADRM O=C([O-])C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000364022791 527550064 /nfs/dbraw/zinc/55/00/64/527550064.db2.gz NAOBAGJMSDZTSN-UHFFFAOYSA-N -1 0 320.367 -0.840 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000347425992 527564698 /nfs/dbraw/zinc/56/46/98/527564698.db2.gz IPNLZFKAQLNNMJ-UHFFFAOYSA-N -1 0 319.730 -0.486 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)NC1(C(=O)[O-])CCCC1)c2=O ZINC000351528427 527584846 /nfs/dbraw/zinc/58/48/46/527584846.db2.gz CTDWKYJSQRIITG-UHFFFAOYSA-N -1 0 319.321 -0.356 20 0 DBADRM O=C([O-])CNS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000262493391 527612843 /nfs/dbraw/zinc/61/28/43/527612843.db2.gz XVUOBPDYGCPKAT-UHFFFAOYSA-N -1 0 310.331 -0.115 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)CCO1 ZINC000262804765 527630788 /nfs/dbraw/zinc/63/07/88/527630788.db2.gz SEVLBNAFFPOEFL-SSDOTTSWSA-N -1 0 312.244 -0.243 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)Cn2nc3ccccn3c2=O)CCO1 ZINC000269037977 527636423 /nfs/dbraw/zinc/63/64/23/527636423.db2.gz PCFFMEZTDZRTKA-JTQLQIEISA-N -1 0 320.305 -0.802 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424500245 527707741 /nfs/dbraw/zinc/70/77/41/527707741.db2.gz LDHLQALYPJFTHK-JTQLQIEISA-N -1 0 315.370 -0.556 20 0 DBADRM CC(C)OC(=O)CCCNC(=O)C(=O)N(C)CCC(=O)[O-] ZINC000420574177 527771860 /nfs/dbraw/zinc/77/18/60/527771860.db2.gz RHTQBDQKKKRCPL-UHFFFAOYSA-N -1 0 302.327 -0.233 20 0 DBADRM CCN(CC)C(=O)CCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000446859340 527997008 /nfs/dbraw/zinc/99/70/08/527997008.db2.gz ATCKIHDNSBSHQP-UHFFFAOYSA-N -1 0 317.371 -0.205 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C)C1=O)C(=O)[O-] ZINC000424511913 528318102 /nfs/dbraw/zinc/31/81/02/528318102.db2.gz ZIVDLICVFPRTBJ-UWVGGRQHSA-N -1 0 313.354 -0.804 20 0 DBADRM CCC(=O)N1CC[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000195406019 528379499 /nfs/dbraw/zinc/37/94/99/528379499.db2.gz CZRDFWXINMAVAM-ZETCQYMHSA-N -1 0 303.306 -0.016 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCc1ccn(C)n1)C(=O)[O-] ZINC000424501821 528520870 /nfs/dbraw/zinc/52/08/70/528520870.db2.gz NDDOEBHBINIXQB-SNVBAGLBSA-N -1 0 310.354 -0.101 20 0 DBADRM CCOC(=O)CCS(=O)(=O)[N-][C@]1(C(=O)OC)CCOC1 ZINC000447172472 528744875 /nfs/dbraw/zinc/74/48/75/528744875.db2.gz RSBPUZUOHLOHLK-LLVKDONJSA-N -1 0 309.340 -0.809 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CC[C@H]2C(=O)[O-])CC1 ZINC000496007401 528994134 /nfs/dbraw/zinc/99/41/34/528994134.db2.gz QHRAJVILDIKQQI-VIFPVBQESA-N -1 0 321.355 -0.836 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC1=O ZINC000420543030 529092282 /nfs/dbraw/zinc/09/22/82/529092282.db2.gz CSVVHLOFMYTYNW-UWVGGRQHSA-N -1 0 313.354 -0.709 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000275408330 534917885 /nfs/dbraw/zinc/91/78/85/534917885.db2.gz ZLSHFFLHSGZYGI-NXEZZACHSA-N -1 0 317.367 -0.252 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1 ZINC000275154955 534920225 /nfs/dbraw/zinc/92/02/25/534920225.db2.gz ZGYVLDUIJRRAAM-VIFPVBQESA-N -1 0 305.356 -0.347 20 0 DBADRM CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)nn1 ZINC000408478000 534951974 /nfs/dbraw/zinc/95/19/74/534951974.db2.gz HRZHDZLGQOGSPG-QMMMGPOBSA-N -1 0 302.356 -0.118 20 0 DBADRM CCCCc1cc(=NC(=O)C(=O)N=c2ccc(OC)n[n-]2)[nH][nH]1 ZINC000342266345 535078294 /nfs/dbraw/zinc/07/82/94/535078294.db2.gz XQXJPYKRWQYWBX-UHFFFAOYSA-N -1 0 318.337 -0.028 20 0 DBADRM CC1=C(C(=O)NCCc2nc(=O)o[n-]2)[C@@H](C)n2ncnc2N1C ZINC000281434476 535224258 /nfs/dbraw/zinc/22/42/58/535224258.db2.gz AWCRGQOGTKYLAK-MRVPVSSYSA-N -1 0 319.325 -0.402 20 0 DBADRM CCN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000273344730 535647412 /nfs/dbraw/zinc/64/74/12/535647412.db2.gz AJKYHPPAGWPIDP-UHFFFAOYSA-N -1 0 317.305 -0.260 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000275318735 535782373 /nfs/dbraw/zinc/78/23/73/535782373.db2.gz OZVCMZGKHVRNRD-VIFPVBQESA-N -1 0 303.340 -0.060 20 0 DBADRM CC[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H](C)[S@@]1=O ZINC000287871109 535843453 /nfs/dbraw/zinc/84/34/53/535843453.db2.gz MPLJRHSWXUZXKF-URNOHEEXSA-N -1 0 313.379 -0.143 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1=O ZINC000289075855 536073110 /nfs/dbraw/zinc/07/31/10/536073110.db2.gz KCBRAKQPEVWTAG-CYBMUJFWSA-N -1 0 318.293 -0.384 20 0 DBADRM COC(=O)Cn1ccc(=NC(=O)N=c2ncn(C(C)(C)C)[n-]2)[nH]1 ZINC000347732970 536383953 /nfs/dbraw/zinc/38/39/53/536383953.db2.gz FQZISSCUFOTTIK-UHFFFAOYSA-N -1 0 321.341 -0.110 20 0 DBADRM COC(=O)c1ccc(F)c(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000275334063 536721846 /nfs/dbraw/zinc/72/18/46/536721846.db2.gz UPALGARTZNBXAO-QMMMGPOBSA-N -1 0 321.282 -0.664 20 0 DBADRM COC(=O)c1ccc(F)c(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000275263433 536721946 /nfs/dbraw/zinc/72/19/46/536721946.db2.gz MNUBWTQEACCEQB-MRVPVSSYSA-N -1 0 321.282 -0.664 20 0 DBADRM COC(=O)c1csc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1 ZINC000275149800 536853947 /nfs/dbraw/zinc/85/39/47/536853947.db2.gz YIJBOABNMHLFHG-ZETCQYMHSA-N -1 0 323.348 -0.351 20 0 DBADRM CCS(=O)(=O)NCCS(=O)(=O)NCCCCC(=O)[O-] ZINC000558851832 568586433 /nfs/dbraw/zinc/58/64/33/568586433.db2.gz JILKODROHJTGBR-UHFFFAOYSA-N -1 0 316.401 -0.900 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1 ZINC000738138201 598859168 /nfs/dbraw/zinc/85/91/68/598859168.db2.gz FGPRTJACWDKOHO-SNVBAGLBSA-N -1 0 323.334 -0.285 20 0 DBADRM COc1ccc(CNC(=O)Cn2cnnc2-c2nnn[n-]2)cc1 ZINC000737093644 598875531 /nfs/dbraw/zinc/87/55/31/598875531.db2.gz WKZVLOHXQBFQCL-UHFFFAOYSA-N -1 0 314.309 -0.217 20 0 DBADRM O=C(Cn1cnnc1-c1nnn[n-]1)Nc1ccc2c(c1)OCO2 ZINC000737988554 598876270 /nfs/dbraw/zinc/87/62/70/598876270.db2.gz MPZHSIJUGQPXKZ-UHFFFAOYSA-N -1 0 314.265 -0.174 20 0 DBADRM c1nc(-c2nnn[n-]2)nn1C[C@@H]1CN=C(N2CCOCC2)S1 ZINC000738451127 598892368 /nfs/dbraw/zinc/89/23/68/598892368.db2.gz COEXJIYXDYXEOB-QMMMGPOBSA-N -1 0 321.370 -0.738 20 0 DBADRM CC(C)(C)S(=O)(=O)C=C([O-])n1ncc(-c2nn[nH]n2)c1N ZINC000824124307 608530892 /nfs/dbraw/zinc/53/08/92/608530892.db2.gz SYEJXVZIZHWNAF-UHFFFAOYSA-N -1 0 313.343 -0.501 20 0 DBADRM C[C@@H](O)C[C@@H](C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736145637 598972614 /nfs/dbraw/zinc/97/26/14/598972614.db2.gz VHFQMWQMRSUMHM-HTQZYQBOSA-N -1 0 323.357 -0.917 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=S)NCCCC(=O)[O-] ZINC000831024581 601378564 /nfs/dbraw/zinc/37/85/64/601378564.db2.gz HCKXMFJSTKVIBQ-SECBINFHSA-N -1 0 323.440 -0.261 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1sccc1-c1nn[nH]n1 ZINC000737012938 599028649 /nfs/dbraw/zinc/02/86/49/599028649.db2.gz BNYMGMAJKLCNEH-UHFFFAOYSA-N -1 0 317.352 -0.366 20 0 DBADRM CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000234381458 601395601 /nfs/dbraw/zinc/39/56/01/601395601.db2.gz FSTZMLAZOGJVMG-SSDOTTSWSA-N -1 0 303.340 -0.285 20 0 DBADRM CC(C)C(=O)NCCNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000826658395 601505171 /nfs/dbraw/zinc/50/51/71/601505171.db2.gz PIJHXLIMACKMHC-UHFFFAOYSA-N -1 0 306.384 -0.067 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000262066651 601605648 /nfs/dbraw/zinc/60/56/48/601605648.db2.gz CJXPBWHTHHHMKF-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM C[C@@H](CCO)Sc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820248471 599082575 /nfs/dbraw/zinc/08/25/75/599082575.db2.gz IEVWHBCSUNFWPH-LURJTMIESA-N -1 0 312.355 -0.873 20 0 DBADRM C[C@@H](Sc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)[C@H](C)O ZINC000820467562 599100122 /nfs/dbraw/zinc/10/01/22/599100122.db2.gz JSAUCJSSLXOGSU-NTSWFWBYSA-N -1 0 312.355 -0.875 20 0 DBADRM C[C@H](O)[C@H](C)Sc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820467565 599100252 /nfs/dbraw/zinc/10/02/52/599100252.db2.gz JSAUCJSSLXOGSU-WDSKDSINSA-N -1 0 312.355 -0.875 20 0 DBADRM CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCNC(=O)[O-] ZINC000739375847 602347294 /nfs/dbraw/zinc/34/72/94/602347294.db2.gz ZBMREHXYRDBPEO-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738139202 599157351 /nfs/dbraw/zinc/15/73/51/599157351.db2.gz MKKRYNKRFKXBKM-QMMMGPOBSA-N -1 0 324.322 -0.890 20 0 DBADRM C[C@H]1CN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CCS1(=O)=O ZINC000739136193 602884245 /nfs/dbraw/zinc/88/42/45/602884245.db2.gz QKBRSACSXFEBLV-DTWKUNHWSA-N -1 0 305.356 -0.433 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC000737676234 602980127 /nfs/dbraw/zinc/98/01/27/602980127.db2.gz URMWVASEKUISCF-BDAKNGLRSA-N -1 0 307.372 -0.139 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)CC(C)(C)NC(=O)[O-])CCO1 ZINC000738553180 603052645 /nfs/dbraw/zinc/05/26/45/603052645.db2.gz UVCDXSFQIKDEPM-SNVBAGLBSA-N -1 0 301.343 -0.214 20 0 DBADRM COCCN(CC(=O)NC[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739819101 603089846 /nfs/dbraw/zinc/08/98/46/603089846.db2.gz VBLCUMFMSINKRD-VIFPVBQESA-N -1 0 308.356 -0.836 20 0 DBADRM C[C@H]([C@H](C)NC(=O)N1CCO[C@@H](C(=O)[O-])C1)N1CCOCC1 ZINC000736646630 599834198 /nfs/dbraw/zinc/83/41/98/599834198.db2.gz WMNVOTKTDJTGNM-QJPTWQEYSA-N -1 0 315.370 -0.409 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCC[C@H](NC(=O)[O-])C2)S1 ZINC000831240796 603383213 /nfs/dbraw/zinc/38/32/13/603383213.db2.gz QHQXTLCMTXUNDB-NKWVEPMBSA-N -1 0 300.340 -0.199 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)CN(C)C(=O)[O-] ZINC000826073949 603461784 /nfs/dbraw/zinc/46/17/84/603461784.db2.gz FFOYZPXVICBKSV-BDAKNGLRSA-N -1 0 307.372 -0.618 20 0 DBADRM CCCCN(C(=O)CN(C)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739326663 596906483 /nfs/dbraw/zinc/90/64/83/596906483.db2.gz KZLAQNQTQUWWIG-LLVKDONJSA-N -1 0 320.411 -0.181 20 0 DBADRM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCCC(=O)[O-])C1=O ZINC000818478191 596927652 /nfs/dbraw/zinc/92/76/52/596927652.db2.gz FXRWAKCOVIAFFZ-ISVAXAHUSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)c1 ZINC000819543066 596929552 /nfs/dbraw/zinc/92/95/52/596929552.db2.gz FYRAMUIMJNUWMI-TXEJJXNPSA-N -1 0 322.317 -0.794 20 0 DBADRM O=C([O-])C1CCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000050603815 596939048 /nfs/dbraw/zinc/93/90/48/596939048.db2.gz ODWSBADCMTYPIV-VIFPVBQESA-N -1 0 304.368 -0.073 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000819051418 596947574 /nfs/dbraw/zinc/94/75/74/596947574.db2.gz SPRGJYSBPRLGGR-SSDOTTSWSA-N -1 0 302.308 -0.218 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)cs1 ZINC000738363137 596951392 /nfs/dbraw/zinc/95/13/92/596951392.db2.gz DNWKZDIGWTWGIZ-UHFFFAOYSA-N -1 0 305.381 -0.158 20 0 DBADRM CCNC(=O)CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000739462447 596951837 /nfs/dbraw/zinc/95/18/37/596951837.db2.gz OBNALXAIPQHXCL-GFCCVEGCSA-N -1 0 318.333 -0.042 20 0 DBADRM C[C@@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)C(N)=O ZINC000738954306 596952564 /nfs/dbraw/zinc/95/25/64/596952564.db2.gz KRSBKEATMKXXDM-KCJUWKMLSA-N -1 0 304.306 -0.304 20 0 DBADRM CNC(=O)COC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000739738090 596957158 /nfs/dbraw/zinc/95/71/58/596957158.db2.gz BVDIDHAFFJJRNO-NSHDSACASA-N -1 0 305.290 -0.005 20 0 DBADRM CNC(=O)CCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000739741543 596960451 /nfs/dbraw/zinc/96/04/51/596960451.db2.gz RJHLOBMUPRGBJN-LBPRGKRZSA-N -1 0 318.333 -0.042 20 0 DBADRM COCCN(CC(=O)[O-])C(=S)NCCN1CCOCC1 ZINC000739827085 596965216 /nfs/dbraw/zinc/96/52/16/596965216.db2.gz OQNHSOVUOSLBNZ-UHFFFAOYSA-N -1 0 305.400 -0.774 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)CSCC(=O)[O-])CC2 ZINC000818552566 596979231 /nfs/dbraw/zinc/97/92/31/596979231.db2.gz XDKOFLUEHCXJDB-QMMMGPOBSA-N -1 0 314.367 -0.327 20 0 DBADRM CCN(C(=O)CN(C)CCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000037932717 596997492 /nfs/dbraw/zinc/99/74/92/596997492.db2.gz MFSOOQYUWPPAST-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N(C)CCC(=O)[O-] ZINC000818113900 597004924 /nfs/dbraw/zinc/00/49/24/597004924.db2.gz RZORCKDACTYION-ZJUUUORDSA-N -1 0 321.399 -0.228 20 0 DBADRM COC(=O)COc1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000261836181 597026768 /nfs/dbraw/zinc/02/67/68/597026768.db2.gz KHXISCIZVWFQTK-UHFFFAOYSA-N -1 0 303.292 -0.399 20 0 DBADRM NC(=O)[C@@H]1CC(C(=O)NCC(=O)[O-])=NN1c1ccc(F)cc1 ZINC000740324624 597027230 /nfs/dbraw/zinc/02/72/30/597027230.db2.gz HOHXFHGUZPTHSG-JTQLQIEISA-N -1 0 308.269 -0.554 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000819521499 597030454 /nfs/dbraw/zinc/03/04/54/597030454.db2.gz KQQBZKLGDZRGQU-VIFPVBQESA-N -1 0 308.290 -0.006 20 0 DBADRM CC(C)C[C@@H](NC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC000817865808 597031549 /nfs/dbraw/zinc/03/15/49/597031549.db2.gz JHJVZDREXALXNL-SECBINFHSA-N -1 0 307.310 -0.494 20 0 DBADRM CC(C)C[C@@H](NC(=O)C(=O)Nc1cccn(C)c1=O)C(=O)[O-] ZINC000817878272 597034930 /nfs/dbraw/zinc/03/49/30/597034930.db2.gz KMCMBVDPHPWFPZ-SNVBAGLBSA-N -1 0 309.322 -0.061 20 0 DBADRM NC(=O)NCCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000740331697 597041176 /nfs/dbraw/zinc/04/11/76/597041176.db2.gz CTGBTGXBHOLNRA-NSHDSACASA-N -1 0 319.321 -0.510 20 0 DBADRM CCCNC(=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000739361031 597042557 /nfs/dbraw/zinc/04/25/57/597042557.db2.gz BPUVKTXGZFLMRJ-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM COCCn1ncc2ccc(NC(=O)C(=O)NCC(=O)[O-])cc21 ZINC000739843560 597044943 /nfs/dbraw/zinc/04/49/43/597044943.db2.gz WEMDALCDBOUARZ-UHFFFAOYSA-N -1 0 320.305 -0.178 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000740482751 597047846 /nfs/dbraw/zinc/04/78/46/597047846.db2.gz CQDZQZIFALJIIJ-UHFFFAOYSA-N -1 0 303.278 -0.534 20 0 DBADRM CN(CC(=O)[O-])CN1c2cc3c(cc2C(=O)C1=O)OCCO3 ZINC000739632440 597054596 /nfs/dbraw/zinc/05/45/96/597054596.db2.gz WXTAWNAGUCQFBH-UHFFFAOYSA-N -1 0 306.274 -0.039 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)O1 ZINC000819111362 597065209 /nfs/dbraw/zinc/06/52/09/597065209.db2.gz RWRCDLSDUWUUQZ-AXFHLTTASA-N -1 0 313.354 -0.084 20 0 DBADRM O=C([O-])CSCC(=O)N1CCC(N2CCNC2=O)CC1 ZINC000128170663 597088685 /nfs/dbraw/zinc/08/86/85/597088685.db2.gz TYGCVXLPZYLMGY-UHFFFAOYSA-N -1 0 301.368 -0.180 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)CSCC(=O)[O-])C1 ZINC000128176896 597097629 /nfs/dbraw/zinc/09/76/29/597097629.db2.gz OIQVCPUOWGUMJA-VIFPVBQESA-N -1 0 324.424 -0.408 20 0 DBADRM NC(=O)[C@@H]1CC(C(=O)NCCC(=O)[O-])=NN1c1ccccc1 ZINC000740325863 597113051 /nfs/dbraw/zinc/11/30/51/597113051.db2.gz QUPXMBRAZABUDW-NSHDSACASA-N -1 0 304.306 -0.303 20 0 DBADRM CN(C)C(=O)CCN1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000818369056 597123140 /nfs/dbraw/zinc/12/31/40/597123140.db2.gz SRUKKSHYYCEUBW-UHFFFAOYSA-N -1 0 300.359 -0.733 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000819231741 597158490 /nfs/dbraw/zinc/15/84/90/597158490.db2.gz VFGQDOGCWBKRCP-SSDOTTSWSA-N -1 0 306.282 -0.137 20 0 DBADRM C[C@@H](NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C(=O)[O-] ZINC000738958900 597181947 /nfs/dbraw/zinc/18/19/47/597181947.db2.gz PSMFONFNZIWQOB-MRVPVSSYSA-N -1 0 319.325 -0.675 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)NC2(C(=O)[O-])CCCC2)n1 ZINC000818369139 597208755 /nfs/dbraw/zinc/20/87/55/597208755.db2.gz ZWJUHGDKODYORY-UHFFFAOYSA-N -1 0 324.341 -0.115 20 0 DBADRM CCCNC(=O)CN1CCC(NC(=O)NCCC(=O)[O-])CC1 ZINC000818176322 597213515 /nfs/dbraw/zinc/21/35/15/597213515.db2.gz JMSNOGNJHSNYET-UHFFFAOYSA-N -1 0 314.386 -0.249 20 0 DBADRM Cn1cccc1C(=O)N1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000819072483 597221932 /nfs/dbraw/zinc/22/19/32/597221932.db2.gz VVJPVQGZDJBXFF-UHFFFAOYSA-N -1 0 308.338 -0.033 20 0 DBADRM O=C([O-])CCNC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000819477527 597225627 /nfs/dbraw/zinc/22/56/27/597225627.db2.gz GSKZUDUVNLPXMY-UHFFFAOYSA-N -1 0 312.370 -0.589 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)NCCC(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000818090077 597227743 /nfs/dbraw/zinc/22/77/43/597227743.db2.gz NZAWUOBIXGOTSG-PSASIEDQSA-N -1 0 309.326 -0.312 20 0 DBADRM Cn1ccc(N2CCC[C@@H](NC(=O)NCCC(=O)[O-])C2=O)n1 ZINC000819072107 597228024 /nfs/dbraw/zinc/22/80/24/597228024.db2.gz CMHQTCAUWBXITE-SECBINFHSA-N -1 0 309.326 -0.311 20 0 DBADRM Cn1cnnc1CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000819078007 597243423 /nfs/dbraw/zinc/24/34/23/597243423.db2.gz FTKLQOZUDQVBIF-UHFFFAOYSA-N -1 0 317.305 -0.303 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)n(C)c1 ZINC000818835424 597249529 /nfs/dbraw/zinc/24/95/29/597249529.db2.gz NNVLYIIFCHVCHC-JTQLQIEISA-N -1 0 309.322 -0.142 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000738590862 597254166 /nfs/dbraw/zinc/25/41/66/597254166.db2.gz JYTGOMODATXYQN-UHFFFAOYSA-N -1 0 322.321 -0.552 20 0 DBADRM O=C([O-])C[C@H]1CCCN(c2ccc(C(=O)NCCO)nn2)C1 ZINC000819385480 597260222 /nfs/dbraw/zinc/26/02/22/597260222.db2.gz SXABUTUNQYUMNN-SNVBAGLBSA-N -1 0 308.338 -0.110 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cc(CCOC)nn1C)C(=O)[O-] ZINC000818261573 597261641 /nfs/dbraw/zinc/26/16/41/597261641.db2.gz RMWAGLHZCNDNHJ-SECBINFHSA-N -1 0 312.326 -0.473 20 0 DBADRM Cn1ccnc(N2CCN(C(=O)NCCC(=O)[O-])CC2)c1=O ZINC000819072178 597296879 /nfs/dbraw/zinc/29/68/79/597296879.db2.gz KLRHBUVEUYXMGD-UHFFFAOYSA-N -1 0 309.326 -0.913 20 0 DBADRM O=C([O-])CCCNC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000819434516 597308344 /nfs/dbraw/zinc/30/83/44/597308344.db2.gz VYAZJNVAWQVMNG-UHFFFAOYSA-N -1 0 312.370 -0.543 20 0 DBADRM C[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1)C(=O)[O-] ZINC000738953763 597331483 /nfs/dbraw/zinc/33/14/83/597331483.db2.gz HAVAAWHCMBJTCM-IUCAKERBSA-N -1 0 304.306 -0.086 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccnn1Cc1ccccn1 ZINC000821524973 597342918 /nfs/dbraw/zinc/34/29/18/597342918.db2.gz GHBNYHMRCMLUDV-UHFFFAOYSA-N -1 0 317.305 -0.144 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)C(=O)[O-] ZINC000820114208 597344296 /nfs/dbraw/zinc/34/42/96/597344296.db2.gz LDHBASNMUDBZOO-RXMQYKEDSA-N -1 0 308.216 -0.027 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818654113 597353530 /nfs/dbraw/zinc/35/35/30/597353530.db2.gz MGMDTNOTJFNDQK-OAQYLSRUSA-N -1 0 312.347 -0.253 20 0 DBADRM CCc1c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)[nH]c(C)c1C(N)=O ZINC000820474085 597354221 /nfs/dbraw/zinc/35/42/21/597354221.db2.gz HOIXNTPFYGHYIH-SECBINFHSA-N -1 0 309.322 -0.090 20 0 DBADRM O=C([O-])Cn1cc(COC(=O)Cc2nc3ncccn3n2)nn1 ZINC000821539921 597362444 /nfs/dbraw/zinc/36/24/44/597362444.db2.gz QOFYBVHEPIRQDC-UHFFFAOYSA-N -1 0 317.265 -0.914 20 0 DBADRM CSc1nn(C)c(NC(=O)CSCC(=O)[O-])c1C(N)=O ZINC000818665515 597363253 /nfs/dbraw/zinc/36/32/53/597363253.db2.gz FGSPJCUTKOQLHZ-UHFFFAOYSA-N -1 0 318.380 -0.003 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)o1 ZINC000738141345 597373907 /nfs/dbraw/zinc/37/39/07/597373907.db2.gz VFKHXODHZWOFEU-MRVPVSSYSA-N -1 0 303.292 -0.391 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738167398 597377162 /nfs/dbraw/zinc/37/71/62/597377162.db2.gz ODCNJTLDXILIBE-JTQLQIEISA-N -1 0 320.305 -0.814 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)CSCC(=O)[O-] ZINC000262344202 597383174 /nfs/dbraw/zinc/38/31/74/597383174.db2.gz DFZGZMNFHDAMJH-MRVPVSSYSA-N -1 0 310.397 -0.656 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000820437642 597411494 /nfs/dbraw/zinc/41/14/94/597411494.db2.gz DCXQWPSNIBXDHS-XVKPBYJWSA-N -1 0 318.355 -0.854 20 0 DBADRM CCN(C(=O)CN(C)[C@H](C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000249901597 597471898 /nfs/dbraw/zinc/47/18/98/597471898.db2.gz GLCOQPQOVDYKNL-ZJUUUORDSA-N -1 0 306.384 -0.573 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(C)[C@H](C)C(=O)[O-] ZINC000250659693 597479165 /nfs/dbraw/zinc/47/91/65/597479165.db2.gz DMRCYRSSPITUCE-RKDXNWHRSA-N -1 0 308.356 -0.336 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)Cn1nc(CCC(N)=O)n(C)c1=S ZINC000817785400 597481403 /nfs/dbraw/zinc/48/14/03/597481403.db2.gz YVZVEQSAJSVDRU-ZETCQYMHSA-N -1 0 301.372 -0.269 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCCNC(=O)C2CCC2)CCO1 ZINC000819181596 597492715 /nfs/dbraw/zinc/49/27/15/597492715.db2.gz ITKUVZSAWKZRSJ-LLVKDONJSA-N -1 0 313.354 -0.212 20 0 DBADRM C[C@@H](OC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)[O-] ZINC000737703297 597494637 /nfs/dbraw/zinc/49/46/37/597494637.db2.gz IEPKLFGAQKZQCK-SSDOTTSWSA-N -1 0 313.287 -0.153 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CC[C@@H](C(=O)[O-])C1)c2=O ZINC000819084610 597495944 /nfs/dbraw/zinc/49/59/44/597495944.db2.gz SSZFYJZUWDQYQY-MRVPVSSYSA-N -1 0 305.294 -0.937 20 0 DBADRM Cn1cc(/C=C/C(=O)N2CC[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000819068002 597497223 /nfs/dbraw/zinc/49/72/23/597497223.db2.gz SPELAQQMTPHLQC-FSIBCCDJSA-N -1 0 307.306 -0.970 20 0 DBADRM Cn1cc(/C=C/C(=O)N2CC[C@@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000819068004 597497265 /nfs/dbraw/zinc/49/72/65/597497265.db2.gz SPELAQQMTPHLQC-HMDXOVGESA-N -1 0 307.306 -0.970 20 0 DBADRM C[C@@H](OC(=O)CCNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000737705580 597497390 /nfs/dbraw/zinc/49/73/90/597497390.db2.gz OVEOPHQBDGWNHN-MRVPVSSYSA-N -1 0 302.308 -0.234 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000062118478 597502766 /nfs/dbraw/zinc/50/27/66/597502766.db2.gz MBDKZCFHJNTLLD-LLVKDONJSA-N -1 0 318.395 -0.019 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062118349 597504799 /nfs/dbraw/zinc/50/47/99/597504799.db2.gz DOHUBMIUECZRKL-ZETCQYMHSA-N -1 0 301.324 -0.781 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000818255803 597508327 /nfs/dbraw/zinc/50/83/27/597508327.db2.gz WXSLBRYVRBDZFQ-SNVBAGLBSA-N -1 0 321.399 -0.226 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(-n2cccn2)nc1)C(=O)[O-] ZINC000818018730 597516227 /nfs/dbraw/zinc/51/62/27/597516227.db2.gz RHKPQTQWQYLFJC-QMMMGPOBSA-N -1 0 303.278 -0.205 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1)C(=O)[O-] ZINC000818019248 597516361 /nfs/dbraw/zinc/51/63/61/597516361.db2.gz ZSWFVUSVGCNWIN-QMMMGPOBSA-N -1 0 303.278 -0.205 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000818023061 597516468 /nfs/dbraw/zinc/51/64/68/597516468.db2.gz SNZYUEIOSKAFIC-SSDOTTSWSA-N -1 0 314.319 -0.382 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000818018351 597517184 /nfs/dbraw/zinc/51/71/84/597517184.db2.gz OKFOINSMBUNPOQ-ZETCQYMHSA-N -1 0 314.319 -0.382 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000818018856 597517186 /nfs/dbraw/zinc/51/71/86/597517186.db2.gz UNBRYLGMVYWGSM-ZCFIWIBFSA-N -1 0 319.273 -0.560 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000818023174 597517486 /nfs/dbraw/zinc/51/74/86/597517486.db2.gz UFKRSIYBEKNWBN-SSDOTTSWSA-N -1 0 304.266 -0.810 20 0 DBADRM CC(=O)NCc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000817706125 597518271 /nfs/dbraw/zinc/51/82/71/597518271.db2.gz GNMSEGDAPGRFQR-QMMMGPOBSA-N -1 0 307.306 -0.150 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])ccc1-n1cnnn1 ZINC000818835400 597518712 /nfs/dbraw/zinc/51/87/12/597518712.db2.gz KOCNICYOOKKJJU-QMMMGPOBSA-N -1 0 318.293 -0.501 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(Cn2cncn2)c1)C(=O)[O-] ZINC000818023155 597519607 /nfs/dbraw/zinc/51/96/07/597519607.db2.gz UCGLMMPTSFVISC-SECBINFHSA-N -1 0 317.305 -0.146 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccnc1-n1cncn1)C(=O)[O-] ZINC000818022520 597520294 /nfs/dbraw/zinc/52/02/94/597520294.db2.gz JDVSAPJUFKMUOL-ZETCQYMHSA-N -1 0 304.266 -0.810 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](C(=O)[O-])C1 ZINC000817737868 597530537 /nfs/dbraw/zinc/53/05/37/597530537.db2.gz LBXHLKTUJHVISO-KXUCPTDWSA-N -1 0 304.368 -0.915 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccnn1-c1ccncc1 ZINC000821525422 597610870 /nfs/dbraw/zinc/61/08/70/597610870.db2.gz OVYOGKMJIUXQAI-UHFFFAOYSA-N -1 0 303.278 -0.203 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)NCCCCC(=O)[O-])n1 ZINC000821357445 597612008 /nfs/dbraw/zinc/61/20/08/597612008.db2.gz RFNMIDRFIPUHBK-UHFFFAOYSA-N -1 0 308.294 -0.510 20 0 DBADRM Cc1nnc2n1C[C@@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)CC2 ZINC000821224363 597666122 /nfs/dbraw/zinc/66/61/22/597666122.db2.gz BBAIXGOMOZDMJF-UWVGGRQHSA-N -1 0 309.326 -0.604 20 0 DBADRM CC(=O)NCCN(CC(=O)Nc1cc(C)no1)[C@H](C)C(=O)[O-] ZINC000819770384 597673624 /nfs/dbraw/zinc/67/36/24/597673624.db2.gz QIGHHTSUCMBXDX-SECBINFHSA-N -1 0 312.326 -0.167 20 0 DBADRM CC(=O)NCCN(C(=O)C[C@](C)(O)C1CC1)[C@H](C)C(=O)[O-] ZINC000819744429 597684718 /nfs/dbraw/zinc/68/47/18/597684718.db2.gz LZLACQJRAOQUAL-OTYXRUKQSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(=O)NCCN(C(=O)C[C@@H]1COC(=O)C1)[C@H](C)C(=O)[O-] ZINC000819744686 597686093 /nfs/dbraw/zinc/68/60/93/597686093.db2.gz ZOUURVIJXAGEFW-SCZZXKLOSA-N -1 0 300.311 -0.623 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H](O)c1cccnc1)[C@@H](C)C(=O)[O-] ZINC000819744246 597686245 /nfs/dbraw/zinc/68/62/45/597686245.db2.gz BKJDEVLTUVERIH-JOYOIKCWSA-N -1 0 309.322 -0.447 20 0 DBADRM CCN1CCO[C@H](C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])C1 ZINC000820354215 597688911 /nfs/dbraw/zinc/68/89/11/597688911.db2.gz MYONPOOQDITUJS-PWSUYJOCSA-N -1 0 315.370 -0.855 20 0 DBADRM CC(=O)NCCN(C(=O)c1c[nH]c(C(N)=O)c1)[C@@H](C)C(=O)[O-] ZINC000819753186 597689836 /nfs/dbraw/zinc/68/98/36/597689836.db2.gz UQJBTCGIKDLXIE-ZETCQYMHSA-N -1 0 310.310 -0.835 20 0 DBADRM CC(=O)NCCN(C(=O)c1cccc(=O)n1C)[C@@H](C)C(=O)[O-] ZINC000819758335 597692516 /nfs/dbraw/zinc/69/25/16/597692516.db2.gz XVXFIDOVMZSPOL-VIFPVBQESA-N -1 0 309.322 -0.563 20 0 DBADRM CC(=O)NCCN(C(=O)C(F)(F)C1(O)CCC1)[C@H](C)C(=O)[O-] ZINC000819744328 597695002 /nfs/dbraw/zinc/69/50/02/597695002.db2.gz HIBYQQDGYUIHRX-MRVPVSSYSA-N -1 0 322.308 -0.026 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H](C)CS(C)(=O)=O)[C@H](C)C(=O)[O-] ZINC000819744321 597695063 /nfs/dbraw/zinc/69/50/63/597695063.db2.gz GCEGQKNMDVNDFC-RKDXNWHRSA-N -1 0 322.383 -0.895 20 0 DBADRM CC(=O)NCCN(C(=O)c1c(C)nc(N)nc1C)[C@@H](C)C(=O)[O-] ZINC000819753081 597697621 /nfs/dbraw/zinc/69/76/21/597697621.db2.gz MLQWCZHMPGMROW-VIFPVBQESA-N -1 0 323.353 -0.273 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)CCO1 ZINC000820630381 597711340 /nfs/dbraw/zinc/71/13/40/597711340.db2.gz FZWXADNGJOYPKL-VQXHTEKXSA-N -1 0 313.354 -0.214 20 0 DBADRM CC(=O)NCCN(C(=O)c1cccc(C(N)=O)n1)[C@@H](C)C(=O)[O-] ZINC000819757999 597716183 /nfs/dbraw/zinc/71/61/83/597716183.db2.gz KAKOOVLTPUERNS-QMMMGPOBSA-N -1 0 322.321 -0.768 20 0 DBADRM CC(=O)NCCN(Cc1ccnc(N(C)C)n1)[C@H](C)C(=O)[O-] ZINC000819781352 597734181 /nfs/dbraw/zinc/73/41/81/597734181.db2.gz UXOURCRNBHKJMX-SNVBAGLBSA-N -1 0 309.370 -0.046 20 0 DBADRM O=C([O-])CNC(=O)C[S@@](=O)Cc1nc(-c2ccoc2)no1 ZINC000821534565 597737509 /nfs/dbraw/zinc/73/75/09/597737509.db2.gz OTNKLGRIQASRQT-OAQYLSRUSA-N -1 0 313.291 -0.221 20 0 DBADRM O=C([O-])CNC(=O)CNc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000821530305 597745093 /nfs/dbraw/zinc/74/50/93/597745093.db2.gz GKDORWLYYOEKEB-UHFFFAOYSA-N -1 0 316.317 -0.045 20 0 DBADRM O=C([O-])CNC(=O)CNc1cccc(C(=O)N2CCOCC2)c1 ZINC000821531670 597745870 /nfs/dbraw/zinc/74/58/70/597745870.db2.gz VNIOBQWMCAOKBC-UHFFFAOYSA-N -1 0 321.333 -0.228 20 0 DBADRM C[C@H](CO)NC(=O)c1ccc(NCC(=O)NCC(=O)[O-])cc1 ZINC000820102214 597746389 /nfs/dbraw/zinc/74/63/89/597746389.db2.gz QISNQISGZIJOJW-SECBINFHSA-N -1 0 309.322 -0.590 20 0 DBADRM COc1ccccc1-n1nnnc1SCC(=O)NCC(=O)[O-] ZINC000820871266 597748276 /nfs/dbraw/zinc/74/82/76/597748276.db2.gz UKQSHEIKXFELGB-UHFFFAOYSA-N -1 0 323.334 -0.036 20 0 DBADRM C[C@@H](O)CNC(=O)c1cccc(OCC(=O)NCC(=O)[O-])c1 ZINC000820160446 597761259 /nfs/dbraw/zinc/76/12/59/597761259.db2.gz DRGFWKMJOVGYBX-SECBINFHSA-N -1 0 310.306 -0.623 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)C[C@]2(CCc3ccccc32)C1=O ZINC000821529811 597763013 /nfs/dbraw/zinc/76/30/13/597763013.db2.gz MFSAFBGRQJVNPA-INIZCTEOSA-N -1 0 316.313 -0.170 20 0 DBADRM Cc1nc(CN2CCN(CC(=O)NCC(=O)[O-])CC2)cs1 ZINC000821171377 597767636 /nfs/dbraw/zinc/76/76/36/597767636.db2.gz RKZHKODRCZPGDX-UHFFFAOYSA-N -1 0 312.395 -0.230 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(C(=O)c2ccsc2)CC1 ZINC000821531012 597771689 /nfs/dbraw/zinc/77/16/89/597771689.db2.gz UDJAPHXRLKQHMH-UHFFFAOYSA-N -1 0 311.363 -0.293 20 0 DBADRM O=C([O-])CNC(=O)CN1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000821531142 597773442 /nfs/dbraw/zinc/77/34/42/597773442.db2.gz XHVJWYBPRYHWPW-VIFPVBQESA-N -1 0 310.310 -0.479 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1CN(CC(=O)NCC(=O)[O-])CCO1 ZINC000819914874 597783425 /nfs/dbraw/zinc/78/34/25/597783425.db2.gz JVPDDQDOUQTIIC-VIFPVBQESA-N -1 0 302.327 -0.770 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000821531145 597793251 /nfs/dbraw/zinc/79/32/51/597793251.db2.gz XJCCRYUHOPRVIT-UHFFFAOYSA-N -1 0 321.333 -0.649 20 0 DBADRM CCOC(=O)C1(NCC(=O)NCC(=O)[O-])Cc2ccccc2C1 ZINC000820364331 597795567 /nfs/dbraw/zinc/79/55/67/597795567.db2.gz BUSJUACJVFPFRJ-UHFFFAOYSA-N -1 0 320.345 -0.123 20 0 DBADRM O=C([O-])CCCCN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000821515954 597800666 /nfs/dbraw/zinc/80/06/66/597800666.db2.gz LZQYSBJRVMFDLB-RYUDHWBXSA-N -1 0 320.411 -0.983 20 0 DBADRM Cc1nn(C)c(C)c1[C@H]1COCCN1CC(=O)NCC(=O)[O-] ZINC000821202567 597807957 /nfs/dbraw/zinc/80/79/57/597807957.db2.gz OUHCEIVEAYZZIN-LLVKDONJSA-N -1 0 310.354 -0.389 20 0 DBADRM CC(C)c1nc([C@H]2COCCN2CC(=O)NCC(=O)[O-])no1 ZINC000820062055 597810403 /nfs/dbraw/zinc/81/04/03/597810403.db2.gz ZHENNYBAVXGIGV-SECBINFHSA-N -1 0 312.326 -0.233 20 0 DBADRM C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000820924314 597821382 /nfs/dbraw/zinc/82/13/82/597821382.db2.gz JNHVWUWOCSYDGX-VIFPVBQESA-N -1 0 308.290 -0.451 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000821530741 597825213 /nfs/dbraw/zinc/82/52/13/597825213.db2.gz CFVDQAPCOXJJRW-SECBINFHSA-N -1 0 324.289 -0.628 20 0 DBADRM Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000820968195 597825229 /nfs/dbraw/zinc/82/52/29/597825229.db2.gz SLMKIOMMQCEYFA-UHFFFAOYSA-N -1 0 322.317 -0.223 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000821532898 597828127 /nfs/dbraw/zinc/82/81/27/597828127.db2.gz WZVAEMORRKTZKQ-SECBINFHSA-N -1 0 324.264 -0.005 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000821530916 597828174 /nfs/dbraw/zinc/82/81/74/597828174.db2.gz BHXYGWXVELUKLW-UHFFFAOYSA-N -1 0 319.273 -0.378 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000821532900 597828299 /nfs/dbraw/zinc/82/82/99/597828299.db2.gz WZVAEMORRKTZKQ-VIFPVBQESA-N -1 0 324.264 -0.005 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)OCC(=O)NCC(=O)[O-])cc1C ZINC000821063925 597828664 /nfs/dbraw/zinc/82/86/64/597828664.db2.gz IFPWKYQGGSLRGT-UHFFFAOYSA-N -1 0 322.317 -0.223 20 0 DBADRM CCOC(=O)N1CCC[C@H](C(=O)OCC(=O)NCC(=O)[O-])C1 ZINC000820369040 597831748 /nfs/dbraw/zinc/83/17/48/597831748.db2.gz JQGUHQYQDJYMME-VIFPVBQESA-N -1 0 316.310 -0.401 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1CCCN1c1ncccn1 ZINC000821531861 597832196 /nfs/dbraw/zinc/83/21/96/597832196.db2.gz KYQDEMPNNMBCDN-VIFPVBQESA-N -1 0 308.294 -0.811 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CN1CCCCCCC1=O ZINC000821530610 597835317 /nfs/dbraw/zinc/83/53/17/597835317.db2.gz ADMLLWCDLUOBMK-UHFFFAOYSA-N -1 0 300.311 -0.477 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(N2CCOCC2)cc1 ZINC000821531567 597838428 /nfs/dbraw/zinc/83/84/28/597838428.db2.gz KYMFGCJCNPGHOI-UHFFFAOYSA-N -1 0 322.317 -0.119 20 0 DBADRM C[C@@H](CC(=O)[O-])S(=O)(=O)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000736812019 600194676 /nfs/dbraw/zinc/19/46/76/600194676.db2.gz PSSMATFDONBKHD-AEJSXWLSSA-N -1 0 307.368 -0.100 20 0 DBADRM C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)CC(=O)[O-] ZINC000819883100 598039095 /nfs/dbraw/zinc/03/90/95/598039095.db2.gz OHMCQMORKXHOMQ-LLVKDONJSA-N -1 0 307.354 -0.470 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000820000474 598076001 /nfs/dbraw/zinc/07/60/01/598076001.db2.gz NESFLFHUSIYBFB-JTQLQIEISA-N -1 0 306.384 -0.573 20 0 DBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000821510463 598087135 /nfs/dbraw/zinc/08/71/35/598087135.db2.gz FRQURLAIEFHNTE-SNVBAGLBSA-N -1 0 320.367 -0.523 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776484047 598087535 /nfs/dbraw/zinc/08/75/35/598087535.db2.gz CZSQNGHKULMHTD-JTQLQIEISA-N -1 0 322.383 -0.231 20 0 DBADRM CN(C)CCN(CC(=O)[O-])C(=O)CS(=O)(=O)C(C)(C)C ZINC000820539100 598090232 /nfs/dbraw/zinc/09/02/32/598090232.db2.gz GAZHYLNESFSXFI-UHFFFAOYSA-N -1 0 308.400 -0.326 20 0 DBADRM CN(C)CCS(=O)(=O)c1ccccc1C(=O)NCC(=O)[O-] ZINC000820543764 598091299 /nfs/dbraw/zinc/09/12/99/598091299.db2.gz QPAIEFWHPPQBFW-UHFFFAOYSA-N -1 0 314.363 -0.164 20 0 DBADRM COCCN(CC(=O)[O-])Cc1cnc2c(C(N)=O)cnn2c1 ZINC000820723502 598118334 /nfs/dbraw/zinc/11/83/34/598118334.db2.gz LVSQZUKMVKPYQL-UHFFFAOYSA-N -1 0 307.310 -0.639 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NC1CCC(C(=O)[O-])CC1 ZINC000063142509 598137006 /nfs/dbraw/zinc/13/70/06/598137006.db2.gz JHMXFVUSXRASSM-UHFFFAOYSA-N -1 0 313.397 -0.406 20 0 DBADRM O=C([O-])c1cccc(C(=O)OCC(=O)N2CCNC(=O)C2)c1 ZINC000821557424 598145649 /nfs/dbraw/zinc/14/56/49/598145649.db2.gz PZTJOWWTWTUQNU-UHFFFAOYSA-N -1 0 306.274 -0.500 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)NCCCCC(=O)[O-])CC1 ZINC000820890524 598167275 /nfs/dbraw/zinc/16/72/75/598167275.db2.gz IPFKFSGWWMFJDG-UHFFFAOYSA-N -1 0 321.399 -0.082 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCCCCC(=O)[O-])C1 ZINC000820890456 598167569 /nfs/dbraw/zinc/16/75/69/598167569.db2.gz CNUCPVNWSMAUGG-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM CN(CC(=O)NCCCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000820562420 598170821 /nfs/dbraw/zinc/17/08/21/598170821.db2.gz IFVWTTCROKYVPO-SNVBAGLBSA-N -1 0 306.384 -0.524 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NCCNC(=O)C1CC1 ZINC000821425974 598172855 /nfs/dbraw/zinc/17/28/55/598172855.db2.gz DVSFYNYFHQERML-UHFFFAOYSA-N -1 0 319.317 -0.034 20 0 DBADRM CN1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820626952 598174558 /nfs/dbraw/zinc/17/45/58/598174558.db2.gz XIIQFLRULXBRAE-SNVBAGLBSA-N -1 0 321.333 -0.230 20 0 DBADRM CN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1=O ZINC000820620325 598174725 /nfs/dbraw/zinc/17/47/25/598174725.db2.gz JNMLIWOFFCEUTP-SNVBAGLBSA-N -1 0 305.290 -0.330 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1=O ZINC000820614571 598175070 /nfs/dbraw/zinc/17/50/70/598175070.db2.gz HSSFLOHLOVWMIQ-MRVPVSSYSA-N -1 0 305.290 -0.330 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000821474766 598175219 /nfs/dbraw/zinc/17/52/19/598175219.db2.gz LVYSNNHKLDGXIZ-DTORHVGOSA-N -1 0 308.290 -0.723 20 0 DBADRM NC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000821350105 598175782 /nfs/dbraw/zinc/17/57/82/598175782.db2.gz MGPJZRMVISSBHU-QMMMGPOBSA-N -1 0 320.305 -0.408 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[C@@H](C(=O)[O-])C2)O1 ZINC000820524207 598180336 /nfs/dbraw/zinc/18/03/36/598180336.db2.gz JXOWZNSLFTUFIJ-MXWKQRLJSA-N -1 0 313.354 -0.262 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000318060513 598194602 /nfs/dbraw/zinc/19/46/02/598194602.db2.gz UPMORRGKBNHMSZ-NSHDSACASA-N -1 0 313.354 -0.259 20 0 DBADRM CC(C)C[C@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000819967543 598195181 /nfs/dbraw/zinc/19/51/81/598195181.db2.gz ZGELFUHIXYSZRP-VIFPVBQESA-N -1 0 318.355 -0.854 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@@H]2C(=O)[O-])n1 ZINC000820530393 598207192 /nfs/dbraw/zinc/20/71/92/598207192.db2.gz HXHAZDPAGCNHMM-MRVPVSSYSA-N -1 0 310.314 -0.553 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000022157986 598208144 /nfs/dbraw/zinc/20/81/44/598208144.db2.gz RTEQPCMVDRKRAH-MRVPVSSYSA-N -1 0 301.324 -0.638 20 0 DBADRM CC(C)(O)C(=O)OCC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000735677611 598288830 /nfs/dbraw/zinc/28/88/30/598288830.db2.gz FYAZOCUUCBEBSI-UHFFFAOYSA-N -1 0 319.321 -0.203 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCOCC2CC2)n(C)c1=O ZINC000737595726 598504005 /nfs/dbraw/zinc/50/40/05/598504005.db2.gz KMMCWRXPSRCJQR-UHFFFAOYSA-N -1 0 321.341 -0.897 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CC(=O)C2CC2)c1 ZINC000736940075 598585175 /nfs/dbraw/zinc/58/51/75/598585175.db2.gz KPAWQVQASOQNNG-UHFFFAOYSA-N -1 0 303.278 -0.206 20 0 DBADRM O=C1[C@H](n2cnc(-c3nnn[n-]3)n2)CCN1CC(F)(F)F ZINC000738297627 598614715 /nfs/dbraw/zinc/61/47/15/598614715.db2.gz SLBNKEXVOJQVCO-RXMQYKEDSA-N -1 0 302.220 -0.206 20 0 DBADRM C[C@@H]1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCS1 ZINC000736289188 598756823 /nfs/dbraw/zinc/75/68/23/598756823.db2.gz KOKPCRQFLPMBLA-SSDOTTSWSA-N -1 0 323.382 -0.794 20 0 DBADRM COC(=O)c1coc(C(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000736958140 598787590 /nfs/dbraw/zinc/78/75/90/598787590.db2.gz ZHYIOVNCWFBXBB-UHFFFAOYSA-N -1 0 303.238 -0.279 20 0 DBADRM C[C@@H]1CSCCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736293633 599535417 /nfs/dbraw/zinc/53/54/17/599535417.db2.gz RAGZFQZBTNZEBE-SSDOTTSWSA-N -1 0 323.382 -0.794 20 0 DBADRM CC[C@H](O)CCCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820931337 599580899 /nfs/dbraw/zinc/58/08/99/599580899.db2.gz FGNKRBVZKNPPOG-QMMMGPOBSA-N -1 0 323.357 -0.773 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000737067067 599703178 /nfs/dbraw/zinc/70/31/78/599703178.db2.gz GTBIRFDXBKLBRF-UWVGGRQHSA-N -1 0 314.338 -0.377 20 0 DBADRM CCNC(=O)CN1CCCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC000737122489 599706212 /nfs/dbraw/zinc/70/62/12/599706212.db2.gz XJDFWIXCZRAYGK-UHFFFAOYSA-N -1 0 307.354 -0.177 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000736332687 599723399 /nfs/dbraw/zinc/72/33/99/599723399.db2.gz UVKSKEBVWCAMFN-UHFFFAOYSA-N -1 0 315.351 -0.004 20 0 DBADRM N#Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)cn1 ZINC000319211350 599729373 /nfs/dbraw/zinc/72/93/73/599729373.db2.gz LUYWEEMLEZYMQZ-UHFFFAOYSA-N -1 0 324.362 -0.266 20 0 DBADRM COC(=O)N(C)CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000737631846 599732156 /nfs/dbraw/zinc/73/21/56/599732156.db2.gz RQZZDUFYUGIBLN-SECBINFHSA-N -1 0 315.326 -0.734 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000736326706 599732315 /nfs/dbraw/zinc/73/23/15/599732315.db2.gz VEDFKJXWNJGITA-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCCN2CCOCC2)o1 ZINC000037393573 599734953 /nfs/dbraw/zinc/73/49/53/599734953.db2.gz NCMJKILTYVYSIY-UHFFFAOYSA-N -1 0 318.351 -0.022 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[O-])CC2)s1 ZINC000739188043 599737003 /nfs/dbraw/zinc/73/70/03/599737003.db2.gz DUINQJCZGHBEPI-UHFFFAOYSA-N -1 0 319.364 -0.169 20 0 DBADRM CCN(CC)C(=O)CN1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000737080266 599742826 /nfs/dbraw/zinc/74/28/26/599742826.db2.gz YMRATFHSOXPTCF-UHFFFAOYSA-N -1 0 314.386 -0.343 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N[C@H](CO)C(=O)[O-])ccc1Cl ZINC000037451245 599744208 /nfs/dbraw/zinc/74/42/08/599744208.db2.gz LKPZSHCYSVJOFB-MRVPVSSYSA-N -1 0 321.738 -0.081 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CN1c2ccccc2OCCC1=O ZINC000739273239 599745630 /nfs/dbraw/zinc/74/56/30/599745630.db2.gz GDVMJZWQJDMAHQ-VIFPVBQESA-N -1 0 308.290 -0.636 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000739358970 599745741 /nfs/dbraw/zinc/74/57/41/599745741.db2.gz ZBCNVCNXAOXEQB-VIFPVBQESA-N -1 0 307.262 -0.935 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)N(CC(=O)[O-])CC(=O)OC)C1 ZINC000736833176 599749819 /nfs/dbraw/zinc/74/98/19/599749819.db2.gz AKYANWZANZSHQP-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)CCCNC(=O)[O-])C1 ZINC000738160279 599751463 /nfs/dbraw/zinc/75/14/63/599751463.db2.gz IZAURARCTXMVNG-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000737222636 599753943 /nfs/dbraw/zinc/75/39/43/599753943.db2.gz GTBKQTJRIQNYFL-UHFFFAOYSA-N -1 0 307.372 -0.472 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)NC(=O)Nc1ccccc1 ZINC000737616067 599757547 /nfs/dbraw/zinc/75/75/47/599757547.db2.gz SESHSMYMLBIRMV-UHFFFAOYSA-N -1 0 323.305 -0.106 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cc1cc(=O)n2ccccc2n1 ZINC000737615298 599757642 /nfs/dbraw/zinc/75/76/42/599757642.db2.gz KMJQIVZRBYSVGD-UHFFFAOYSA-N -1 0 305.290 -0.246 20 0 DBADRM NC(=O)CN1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000739162639 599764066 /nfs/dbraw/zinc/76/40/66/599764066.db2.gz FOQQDFUDNWXIFV-UHFFFAOYSA-N -1 0 320.349 -0.574 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(Cn2cc(C(=O)[O-])nn2)o1 ZINC000737375792 599769220 /nfs/dbraw/zinc/76/92/20/599769220.db2.gz NLTQDQRFMSZUNW-UHFFFAOYSA-N -1 0 300.296 -0.132 20 0 DBADRM C[C@@H](CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C(=O)[O-] ZINC000736600632 599773106 /nfs/dbraw/zinc/77/31/06/599773106.db2.gz WQGQUGNEFOAHQN-LURJTMIESA-N -1 0 304.299 -0.076 20 0 DBADRM C[C@@H](CNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000736592613 599774161 /nfs/dbraw/zinc/77/41/61/599774161.db2.gz CUXKTUWUOUYNEQ-JOYOIKCWSA-N -1 0 318.333 -0.057 20 0 DBADRM C[C@@H]1C(=O)NCCN1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000736747200 599780819 /nfs/dbraw/zinc/78/08/19/599780819.db2.gz NXKRUQFOLNHTMS-MDXIRLPMSA-N -1 0 313.379 -0.302 20 0 DBADRM O=C([O-])C1CCN([C@@H]2CC(=O)N(c3cnccn3)C2=O)CC1 ZINC000738545127 599781886 /nfs/dbraw/zinc/78/18/86/599781886.db2.gz SPHMHZPMFIFVST-SNVBAGLBSA-N -1 0 304.306 -0.095 20 0 DBADRM COc1cc(OC)c(N)c(C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000737898638 599789323 /nfs/dbraw/zinc/78/93/23/599789323.db2.gz FPAPZHKYMIAFEW-UHFFFAOYSA-N -1 0 312.278 -0.356 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000739592302 599796065 /nfs/dbraw/zinc/79/60/65/599796065.db2.gz JTASUZWNHDUZTQ-JTQLQIEISA-N -1 0 319.383 -0.472 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000739592303 599796117 /nfs/dbraw/zinc/79/61/17/599796117.db2.gz JTASUZWNHDUZTQ-SNVBAGLBSA-N -1 0 319.383 -0.472 20 0 DBADRM CNC(=O)[C@@H]1CCCCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000315716220 599800701 /nfs/dbraw/zinc/80/07/01/599800701.db2.gz DICTVAYAWOLNEM-LBPRGKRZSA-N -1 0 311.382 -0.090 20 0 DBADRM O=C([O-])CCCNC(=S)NCCCN1C(=O)CNC1=O ZINC000739681355 599805539 /nfs/dbraw/zinc/80/55/39/599805539.db2.gz KUOCKLYDMMJSKR-UHFFFAOYSA-N -1 0 302.356 -0.743 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN(C)CCS(C)(=O)=O)C(=O)[O-] ZINC000736873830 599810271 /nfs/dbraw/zinc/81/02/71/599810271.db2.gz BNIWIBJSOZNYOI-KOLCDFICSA-N -1 0 308.400 -0.422 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)NC1(C(=O)[O-])CCCCC1 ZINC000739268593 599827178 /nfs/dbraw/zinc/82/71/78/599827178.db2.gz NBOJLZJEFQFLKJ-UHFFFAOYSA-N -1 0 309.322 -0.170 20 0 DBADRM C[C@H]([C@H](C)NC(=O)N1CCO[C@H](C(=O)[O-])C1)N1CCOCC1 ZINC000736646633 599834323 /nfs/dbraw/zinc/83/43/23/599834323.db2.gz WMNVOTKTDJTGNM-TUAOUCFPSA-N -1 0 315.370 -0.409 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)CC1=O ZINC000382421774 599855599 /nfs/dbraw/zinc/85/55/99/599855599.db2.gz IYHGZQSPVNEDKH-LURJTMIESA-N -1 0 304.349 -0.045 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)COC(=O)C(C)(C)NC(=O)[O-] ZINC000737496316 599862036 /nfs/dbraw/zinc/86/20/36/599862036.db2.gz FHZGEILGAQYTKQ-UHFFFAOYSA-N -1 0 312.326 -0.032 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)OCC(=O)NCCCn1cccn1 ZINC000736333367 599862415 /nfs/dbraw/zinc/86/24/15/599862415.db2.gz RUEYQODYJSNMRF-UHFFFAOYSA-N -1 0 312.326 -0.021 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC000736332033 599864218 /nfs/dbraw/zinc/86/42/18/599864218.db2.gz FPJNHZMPOINJKJ-MRVPVSSYSA-N -1 0 315.326 -0.558 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)C1(C(=O)NC2CC2)CCC1 ZINC000739734065 599866690 /nfs/dbraw/zinc/86/66/90/599866690.db2.gz HNILJMIGDFOTOG-UHFFFAOYSA-N -1 0 312.322 -0.431 20 0 DBADRM Cn1nnnc1SCCC(=O)NCCSCC(=O)[O-] ZINC000739062171 599888457 /nfs/dbraw/zinc/88/84/57/599888457.db2.gz HWZKUTQCVSJALG-UHFFFAOYSA-N -1 0 305.385 -0.374 20 0 DBADRM CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000737226793 599875672 /nfs/dbraw/zinc/87/56/72/599875672.db2.gz UNMDUGMXKBIPST-UHFFFAOYSA-N -1 0 322.364 -0.189 20 0 DBADRM Cn1c(=O)ccn(CC(=O)OCc2cc(C(=O)[O-])co2)c1=O ZINC000739002094 599881995 /nfs/dbraw/zinc/88/19/95/599881995.db2.gz DFAMGYDHIMBYKS-UHFFFAOYSA-N -1 0 308.246 -0.418 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCCSCC(=O)[O-])o1 ZINC000739191760 599890074 /nfs/dbraw/zinc/89/00/74/599890074.db2.gz WUNUIBVZHDJWFW-UHFFFAOYSA-N -1 0 308.337 -0.525 20 0 DBADRM CCOCCN1CCN([C@@H](C)C(=O)NCC(=O)[O-])C[C@H]1C ZINC000737177685 599916154 /nfs/dbraw/zinc/91/61/54/599916154.db2.gz ZYPSKLANVWKXAZ-NEPJUHHUSA-N -1 0 301.387 -0.382 20 0 DBADRM C[C@H](CN(C(=O)CN1CCS(=O)(=O)CC1)C1CC1)C(=O)[O-] ZINC000736561255 599917025 /nfs/dbraw/zinc/91/70/25/599917025.db2.gz AFKSAHLUOPGDNH-SNVBAGLBSA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@@H](CN(C(=O)CN1CCCS1(=O)=O)C1CC1)C(=O)[O-] ZINC000262073562 599917482 /nfs/dbraw/zinc/91/74/82/599917482.db2.gz ATCJSKBACCKZIS-VIFPVBQESA-N -1 0 304.368 -0.266 20 0 DBADRM COCCN(C(=O)CCNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737764139 599918149 /nfs/dbraw/zinc/91/81/49/599918149.db2.gz FIYXMKQKTCZIBB-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM Cc1cnn(C[C@@H]2CN(CC(=O)NCCC(=O)[O-])CCO2)c1 ZINC000738812939 599920759 /nfs/dbraw/zinc/92/07/59/599920759.db2.gz XUKWECNOAIBMHS-LBPRGKRZSA-N -1 0 310.354 -0.517 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(C[C@H](C)O)CC1)C(=O)[O-] ZINC000736886021 599921316 /nfs/dbraw/zinc/92/13/16/599921316.db2.gz OLXMZTVMSQFUIQ-OBJOEFQTSA-N -1 0 315.414 -0.400 20 0 DBADRM CC(C)C[C@H](NC(=O)CN(C)C[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC000736414700 599923791 /nfs/dbraw/zinc/92/37/91/599923791.db2.gz ZVNXIFXRGLWGAL-STQMWFEESA-N -1 0 315.414 -0.136 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C[C@H]1CN(C)CCO1 ZINC000737530789 599924724 /nfs/dbraw/zinc/92/47/24/599924724.db2.gz WWKHIMCZFMOFGK-CYBMUJFWSA-N -1 0 313.398 -0.428 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000739554409 599938265 /nfs/dbraw/zinc/93/82/65/599938265.db2.gz UVFUDTLSZWFBFJ-VXGBXAGGSA-N -1 0 308.338 -0.126 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262152528 599938670 /nfs/dbraw/zinc/93/86/70/599938670.db2.gz UDULFGVABGQALV-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000736713582 599940895 /nfs/dbraw/zinc/94/08/95/599940895.db2.gz CDLTZBZFDGBSDB-YUMQZZPRSA-N -1 0 300.340 -0.392 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736713577 599940908 /nfs/dbraw/zinc/94/09/08/599940908.db2.gz CDLTZBZFDGBSDB-JGVFFNPUSA-N -1 0 300.340 -0.392 20 0 DBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738394799 599945527 /nfs/dbraw/zinc/94/55/27/599945527.db2.gz IIQWPRHEUKZMPV-QMMMGPOBSA-N -1 0 321.289 -0.239 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)CCO1 ZINC000261837319 599945791 /nfs/dbraw/zinc/94/57/91/599945791.db2.gz CDNIBCYRPRDCTJ-LLVKDONJSA-N -1 0 306.274 -0.057 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2cccc(C(=O)[O-])c2O)c1=O ZINC000322302170 599946464 /nfs/dbraw/zinc/94/64/64/599946464.db2.gz VIKFZKKLYTVEEL-UHFFFAOYSA-N -1 0 319.273 -0.411 20 0 DBADRM NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738438650 599948436 /nfs/dbraw/zinc/94/84/36/599948436.db2.gz BQTOJLMKYVOTHR-VXGBXAGGSA-N -1 0 321.333 -0.422 20 0 DBADRM CC(C)CN(CCC(=O)[O-])C(=O)CCn1cc[nH]c(=O)c1=O ZINC000736433103 599954481 /nfs/dbraw/zinc/95/44/81/599954481.db2.gz WQRBCKCUVAIUGN-UHFFFAOYSA-N -1 0 311.338 -0.114 20 0 DBADRM O=C([O-])[C@H]1CN(CN2C(=O)C[C@]3(CCSC3)C2=O)CCO1 ZINC000738548496 599954833 /nfs/dbraw/zinc/95/48/33/599954833.db2.gz HRYKZSIMPLZZEX-RNCFNFMXSA-N -1 0 314.363 -0.389 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2C(=O)C[C@]3(CCSC3)C2=O)CCO1 ZINC000738548501 599954933 /nfs/dbraw/zinc/95/49/33/599954933.db2.gz HRYKZSIMPLZZEX-ZANVPECISA-N -1 0 314.363 -0.389 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2C(=O)NC3(CCCCC3)C2=O)CCO1 ZINC000738548534 599957236 /nfs/dbraw/zinc/95/72/36/599957236.db2.gz JIORGFOKQWSQIT-JTQLQIEISA-N -1 0 311.338 -0.016 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000032077304 599958822 /nfs/dbraw/zinc/95/88/22/599958822.db2.gz IFUDSERSHOIPLT-UMNHJUIQSA-N -1 0 320.411 -0.279 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCN(CCO)CC1)C(=O)[O-] ZINC000033450245 599960389 /nfs/dbraw/zinc/96/03/89/599960389.db2.gz DGYIVRKXISRUIS-GFCCVEGCSA-N -1 0 301.387 -0.788 20 0 DBADRM NC(=O)[C@H]1Cc2ccccc2N(CC(=O)NCCC(=O)[O-])C1 ZINC000739160873 599964140 /nfs/dbraw/zinc/96/41/40/599964140.db2.gz PURPLOKQCRILEK-NSHDSACASA-N -1 0 305.334 -0.259 20 0 DBADRM O=C([O-])[C@@H]1CN(CC(=O)NC(=O)NCC(F)(F)F)CCO1 ZINC000738463923 599973586 /nfs/dbraw/zinc/97/35/86/599973586.db2.gz BAFRZLZYKQXKNP-LURJTMIESA-N -1 0 313.232 -0.840 20 0 DBADRM O=C([O-])[C@H]1CN(CC(=O)NC(=O)NCC(F)(F)F)CCO1 ZINC000738463924 599973710 /nfs/dbraw/zinc/97/37/10/599973710.db2.gz BAFRZLZYKQXKNP-ZCFIWIBFSA-N -1 0 313.232 -0.840 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])CCO1 ZINC000737586840 599975279 /nfs/dbraw/zinc/97/52/79/599975279.db2.gz JRXFEXPQBSCROD-QWRGUYRKSA-N -1 0 316.354 -0.524 20 0 DBADRM COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000737576717 599975298 /nfs/dbraw/zinc/97/52/98/599975298.db2.gz VAMBIJFVRROZHS-MNOVXSKESA-N -1 0 316.354 -0.524 20 0 DBADRM CCOC(=O)CCCNC(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000043703525 599975318 /nfs/dbraw/zinc/97/53/18/599975318.db2.gz HIOSAOHUIYLFJR-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM CNC(=O)c1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000737546902 599976831 /nfs/dbraw/zinc/97/68/31/599976831.db2.gz MVTSHQOPIIJLKU-GFCCVEGCSA-N -1 0 305.334 -0.179 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1CC(=O)N1CCc2ccccc21 ZINC000321973949 599983251 /nfs/dbraw/zinc/98/32/51/599983251.db2.gz IEPDPVKLFJUGHJ-CYBMUJFWSA-N -1 0 317.345 -0.149 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000321918794 599983600 /nfs/dbraw/zinc/98/36/00/599983600.db2.gz XBBCJCJMYNEHSJ-SNVBAGLBSA-N -1 0 323.353 -0.749 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738375195 599984044 /nfs/dbraw/zinc/98/40/44/599984044.db2.gz HINBTRYUNKNLGS-ZETCQYMHSA-N -1 0 323.758 -0.144 20 0 DBADRM COC(=O)CC1=C(C(=O)[O-])[C@H](c2csnn2)NC(=S)N1 ZINC000737593026 599986120 /nfs/dbraw/zinc/98/61/20/599986120.db2.gz USVMNXGZFPNWLW-QMMMGPOBSA-N -1 0 314.348 -0.041 20 0 DBADRM O=C([O-])c1cccc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)n1 ZINC000740303809 599987177 /nfs/dbraw/zinc/98/71/77/599987177.db2.gz LRRLULIEELNCPI-JTQLQIEISA-N -1 0 303.274 -0.201 20 0 DBADRM CN(CC(=O)[O-])CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000737404025 599997961 /nfs/dbraw/zinc/99/79/61/599997961.db2.gz QHMYEVVKCXTGTA-UHFFFAOYSA-N -1 0 309.322 -0.420 20 0 DBADRM Cc1ccc(NC(=O)CN(C)CC(=O)[O-])cc1S(N)(=O)=O ZINC000738622238 599998009 /nfs/dbraw/zinc/99/80/09/599998009.db2.gz RGFJEOQXMFSMMG-UHFFFAOYSA-N -1 0 315.351 -0.403 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000737161735 600002736 /nfs/dbraw/zinc/00/27/36/600002736.db2.gz JRVAHIVWIIVANY-UTUOFQBUSA-N -1 0 300.355 -0.751 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CN1Cc2ccccc2C1=O ZINC000737605506 600007591 /nfs/dbraw/zinc/00/75/91/600007591.db2.gz NGNGWDXYOCREMT-UHFFFAOYSA-N -1 0 320.301 -0.271 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)OC[C@H]1CCCO1 ZINC000737604971 600009537 /nfs/dbraw/zinc/00/95/37/600009537.db2.gz MASMCWGFZCVUAC-VHSXEESVSA-N -1 0 303.311 -0.343 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)OC[C@@H]1CCCO1 ZINC000737604969 600009571 /nfs/dbraw/zinc/00/95/71/600009571.db2.gz MASMCWGFZCVUAC-UWVGGRQHSA-N -1 0 303.311 -0.343 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CN(C)C(=O)OC(C)(C)C ZINC000737605474 600010976 /nfs/dbraw/zinc/01/09/76/600010976.db2.gz MRLZUJFVMNLDMR-UHFFFAOYSA-N -1 0 318.326 -0.061 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000262660784 600028748 /nfs/dbraw/zinc/02/87/48/600028748.db2.gz LQHZBYDSQKLJMU-SNVBAGLBSA-N -1 0 319.383 -0.775 20 0 DBADRM CC(C)CNC(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000736443077 600029914 /nfs/dbraw/zinc/02/99/14/600029914.db2.gz NMXSUGGWPGADFO-UHFFFAOYSA-N -1 0 307.310 -0.550 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CC(=O)NCC1CC1)c2=O ZINC000739919751 600030889 /nfs/dbraw/zinc/03/08/89/600030889.db2.gz KMNMHKYYCAVWPP-UHFFFAOYSA-N -1 0 305.294 -0.796 20 0 DBADRM CC(C)[C@@H](C)NC(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000736353429 600031290 /nfs/dbraw/zinc/03/12/90/600031290.db2.gz NTTMQQVIIQCKID-SECBINFHSA-N -1 0 321.337 -0.162 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CC(=O)NC1CCCC1)c2=O ZINC000739919663 600031497 /nfs/dbraw/zinc/03/14/97/600031497.db2.gz IXFCQNJGJIWDIZ-UHFFFAOYSA-N -1 0 319.321 -0.264 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCC(=O)N2CCCCC2)CCO1 ZINC000317520871 600034109 /nfs/dbraw/zinc/03/41/09/600034109.db2.gz HRUDIKIXFUIHOX-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000043706989 600035281 /nfs/dbraw/zinc/03/52/81/600035281.db2.gz NQEZSAMBWHNTDN-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM COC(=O)N1CCC(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000737633609 600038082 /nfs/dbraw/zinc/03/80/82/600038082.db2.gz OLSFPCZBZKSITC-SNVBAGLBSA-N -1 0 315.326 -0.288 20 0 DBADRM COCCOCCCCNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000159665177 600039273 /nfs/dbraw/zinc/03/92/73/600039273.db2.gz WRBRYHKWFSPCMZ-LLVKDONJSA-N -1 0 304.343 -0.075 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000122648890 600040070 /nfs/dbraw/zinc/04/00/70/600040070.db2.gz RNSHVIWHEFKTBG-VIFPVBQESA-N -1 0 301.343 -0.214 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NC2CCC(C(=O)[O-])CC2)nn1 ZINC000737350106 600049820 /nfs/dbraw/zinc/04/98/20/600049820.db2.gz SKYUFLHQLBDUOL-UHFFFAOYSA-N -1 0 323.353 -0.261 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)OCO3)CCO1 ZINC000739481469 600051664 /nfs/dbraw/zinc/05/16/64/600051664.db2.gz XMBCNZKRPCVZKC-LLVKDONJSA-N -1 0 322.273 -0.334 20 0 DBADRM COc1ccccc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738136545 600051889 /nfs/dbraw/zinc/05/18/89/600051889.db2.gz MFDTULGENSSMKN-NSHDSACASA-N -1 0 308.290 -0.054 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000738020383 600055165 /nfs/dbraw/zinc/05/51/65/600055165.db2.gz BGYKBGHXOLQPSM-VIFPVBQESA-N -1 0 309.278 -0.659 20 0 DBADRM C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(C[C@H](F)C(=O)[O-])C1=O ZINC000736739193 600059002 /nfs/dbraw/zinc/05/90/02/600059002.db2.gz YROAPHRMRWRBSV-LKFCYVNXSA-N -1 0 323.280 -0.025 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc2nccn2c1 ZINC000739634956 600063204 /nfs/dbraw/zinc/06/32/04/600063204.db2.gz PKIFGRUATRBNNV-JTQLQIEISA-N -1 0 302.290 -0.250 20 0 DBADRM NS(=O)(=O)N1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000739191831 600084610 /nfs/dbraw/zinc/08/46/10/600084610.db2.gz XPLVSCZUULCYKJ-UHFFFAOYSA-N -1 0 317.342 -0.155 20 0 DBADRM O=C([O-])CCCNC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000263295105 600086663 /nfs/dbraw/zinc/08/66/63/600086663.db2.gz VXKCPWUXTZYKKE-UHFFFAOYSA-N -1 0 321.399 -0.130 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)c1ccc(C(=O)[O-])nc1 ZINC000737226359 600087598 /nfs/dbraw/zinc/08/75/98/600087598.db2.gz ISPNFYSJUASHNB-UHFFFAOYSA-N -1 0 302.308 -0.124 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)C1(C(N)=O)CC1)C(=O)[O-] ZINC000736886018 600088033 /nfs/dbraw/zinc/08/80/33/600088033.db2.gz OLELNIIQXSCHEQ-CBAPKCEASA-N -1 0 300.311 -0.589 20 0 DBADRM Cc1nc(C(=O)OCC(=O)NCC(=O)[O-])nn1-c1ccccc1 ZINC000738842690 600089620 /nfs/dbraw/zinc/08/96/20/600089620.db2.gz NHWKHPRWTGKZFT-UHFFFAOYSA-N -1 0 318.289 -0.067 20 0 DBADRM CNC(=O)[C@@H]1CN(CC(=O)NCCC(=O)[O-])c2ccccc2O1 ZINC000737538888 600104531 /nfs/dbraw/zinc/10/45/31/600104531.db2.gz NICZYOXSYXDNGF-LBPRGKRZSA-N -1 0 321.333 -0.409 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NCCC(=O)[O-] ZINC000736140065 600105906 /nfs/dbraw/zinc/10/59/06/600105906.db2.gz WGWYFCASAVGZNT-MRVPVSSYSA-N -1 0 304.324 -0.958 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)OCC(=O)NCCC(=O)[O-] ZINC000736140066 600105968 /nfs/dbraw/zinc/10/59/68/600105968.db2.gz WGWYFCASAVGZNT-QMMMGPOBSA-N -1 0 304.324 -0.958 20 0 DBADRM CCN(CC)C(=O)CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000737079293 600106865 /nfs/dbraw/zinc/10/68/65/600106865.db2.gz BCGUQYYAYPXHBV-NWDGAFQWSA-N -1 0 311.382 -0.280 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000037834999 600110698 /nfs/dbraw/zinc/11/06/98/600110698.db2.gz DYELFWJISADYLJ-VHSXEESVSA-N -1 0 304.368 -0.363 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)C1(O)CCOCC1)C(=O)[O-] ZINC000736888977 600119271 /nfs/dbraw/zinc/11/92/71/600119271.db2.gz VUTDUODTQLNTFT-GXSJLCMTSA-N -1 0 317.338 -0.313 20 0 DBADRM NS(=O)(=O)Cc1cccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000739191662 600120147 /nfs/dbraw/zinc/12/01/47/600120147.db2.gz GBPLJBPVZXSAAZ-WDEREUQCSA-N -1 0 312.347 -0.188 20 0 DBADRM COc1ccc(CNC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000738001210 600141757 /nfs/dbraw/zinc/14/17/57/600141757.db2.gz DAJNLAISLBFUMW-YPMHNXCESA-N -1 0 308.334 -0.169 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-])cn1 ZINC000737302871 600147816 /nfs/dbraw/zinc/14/78/16/600147816.db2.gz KBOJAGAXXIHXMS-MRVPVSSYSA-N -1 0 305.312 -0.802 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1Cc2ccccc2C[C@H]1C(N)=O ZINC000737401178 600158306 /nfs/dbraw/zinc/15/83/06/600158306.db2.gz LPVBKGXNBJBBFK-ZDUSSCGKSA-N -1 0 319.361 -0.168 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000739543583 600159555 /nfs/dbraw/zinc/15/95/55/600159555.db2.gz BQMNOHUQUGHYAS-OLZOCXBDSA-N -1 0 323.393 -0.136 20 0 DBADRM CCN(CC)S(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737088910 600161778 /nfs/dbraw/zinc/16/17/78/600161778.db2.gz UHIFAFVCIBHVTJ-UHFFFAOYSA-N -1 0 323.415 -0.708 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000739555629 600168728 /nfs/dbraw/zinc/16/87/28/600168728.db2.gz FGEKQVVRKKWIAH-UWVGGRQHSA-N -1 0 313.306 -0.384 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000736133582 600169785 /nfs/dbraw/zinc/16/97/85/600169785.db2.gz AEKXUUNPCVOJKJ-GDPRMGEGSA-N -1 0 312.322 -0.671 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)CCSCC(=O)[O-])C1 ZINC000739193516 600170678 /nfs/dbraw/zinc/17/06/78/600170678.db2.gz RKOSPFWNZBTLFW-VIFPVBQESA-N -1 0 324.424 -0.279 20 0 DBADRM Cc1c(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cnn1C ZINC000738259067 600171261 /nfs/dbraw/zinc/17/12/61/600171261.db2.gz ZLPAUBJVXQGHNU-UHFFFAOYSA-N -1 0 310.354 -0.412 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000737609256 600171411 /nfs/dbraw/zinc/17/14/11/600171411.db2.gz UZMITAWGKXOZIR-UHFFFAOYSA-N -1 0 322.273 -0.283 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)C1CCOCC1 ZINC000739785632 600171703 /nfs/dbraw/zinc/17/17/03/600171703.db2.gz QNPXQOUOZSJIRJ-UHFFFAOYSA-N -1 0 300.355 -0.342 20 0 DBADRM Cn1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cc1=O ZINC000739039440 600172445 /nfs/dbraw/zinc/17/24/45/600172445.db2.gz SNKUVMFUAATYDI-UHFFFAOYSA-N -1 0 323.349 -0.756 20 0 DBADRM NC(=O)C1(c2ccccc2)CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000739155143 600179528 /nfs/dbraw/zinc/17/95/28/600179528.db2.gz SORXVUFCTSRGOR-UHFFFAOYSA-N -1 0 319.361 -0.294 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000736449723 600180808 /nfs/dbraw/zinc/18/08/08/600180808.db2.gz XBPZVZUWNQTTEZ-UHFFFAOYSA-N -1 0 304.328 -0.559 20 0 DBADRM COc1ncnc(OC)c1C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000738148961 600181019 /nfs/dbraw/zinc/18/10/19/600181019.db2.gz CLHRNBPREPYEJP-UHFFFAOYSA-N -1 0 308.254 -0.509 20 0 DBADRM C[C@@H](CC(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000699096044 600193116 /nfs/dbraw/zinc/19/31/16/600193116.db2.gz IGMREACBFJTIDR-QMMMGPOBSA-N -1 0 301.386 -0.454 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000739539856 600193102 /nfs/dbraw/zinc/19/31/02/600193102.db2.gz XBWRFVBVZXAPPF-ZJUUUORDSA-N -1 0 316.321 -0.506 20 0 DBADRM C[C@H](CC(=O)[O-])S(=O)(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000736548980 600193940 /nfs/dbraw/zinc/19/39/40/600193940.db2.gz GVXSNUDSEPYYGM-MRVPVSSYSA-N -1 0 320.367 -0.015 20 0 DBADRM C[C@H](CC(=O)[O-])S(=O)(=O)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000736548440 600193946 /nfs/dbraw/zinc/19/39/46/600193946.db2.gz BWDKMLZBVUZSDB-OPRDCNLKSA-N -1 0 307.368 -0.052 20 0 DBADRM C[C@H](CC(=O)[O-])S(=O)(=O)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000736548439 600193991 /nfs/dbraw/zinc/19/39/91/600193991.db2.gz BWDKMLZBVUZSDB-KXUCPTDWSA-N -1 0 307.368 -0.052 20 0 DBADRM C[C@H](CC(=O)[O-])S(=O)(=O)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000736812024 600194787 /nfs/dbraw/zinc/19/47/87/600194787.db2.gz PSSMATFDONBKHD-KXUCPTDWSA-N -1 0 307.368 -0.100 20 0 DBADRM C[C@H](CS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-] ZINC000699097048 600197544 /nfs/dbraw/zinc/19/75/44/600197544.db2.gz MTCSFOWYLRZRQD-MRVPVSSYSA-N -1 0 301.386 -0.597 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000736614801 600197440 /nfs/dbraw/zinc/19/74/40/600197440.db2.gz KGCBLZHJHMVIFO-BBBLOLIVSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@@H](CS(=O)(=O)CC(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000736812053 600198238 /nfs/dbraw/zinc/19/82/38/600198238.db2.gz PXMLKQIZGIEHOX-IVZWLZJFSA-N -1 0 307.368 -0.242 20 0 DBADRM C[C@@](NC(=O)c1ccc(S(N)(=O)=O)o1)(C(=O)[O-])C1CC1 ZINC000736656852 600201713 /nfs/dbraw/zinc/20/17/13/600201713.db2.gz MZAPMZFLXRZKCT-NSHDSACASA-N -1 0 302.308 -0.090 20 0 DBADRM O=C([O-])c1coc(C(=O)COC(=O)CN2CCC(=O)NC2=O)c1 ZINC000740305422 600214623 /nfs/dbraw/zinc/21/46/23/600214623.db2.gz HHJJTNQBCMEYGG-UHFFFAOYSA-N -1 0 324.245 -0.354 20 0 DBADRM CN(CC(=O)N1CCNC(=O)C1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737387587 600215502 /nfs/dbraw/zinc/21/55/02/600215502.db2.gz FCVLMQMGOPMNHJ-AWEZNQCLSA-N -1 0 305.334 -0.298 20 0 DBADRM CS(=O)(=O)Cc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1 ZINC000738154948 600222911 /nfs/dbraw/zinc/22/29/11/600222911.db2.gz NDJVAUAPWBUZRF-UHFFFAOYSA-N -1 0 321.376 -0.016 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-])C(=O)OC ZINC000736889310 600230857 /nfs/dbraw/zinc/23/08/57/600230857.db2.gz XBBNYPFDWLKQIH-SVDPJWKOSA-N -1 0 316.354 -0.790 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc(N2CCCC2)nn1)C(=O)[O-] ZINC000737592831 600242556 /nfs/dbraw/zinc/24/25/56/600242556.db2.gz SAPYOKNBZDXGHQ-JTQLQIEISA-N -1 0 322.321 -0.177 20 0 DBADRM CNC(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)cn1 ZINC000737544772 600243066 /nfs/dbraw/zinc/24/30/66/600243066.db2.gz NNVJWSVSVBHYJD-VIFPVBQESA-N -1 0 309.278 -0.813 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N[C@H](CC(=O)OC)C(=O)[O-] ZINC000736840189 600243911 /nfs/dbraw/zinc/24/39/11/600243911.db2.gz UNFFGAILFYSNAC-HTQZYQBOSA-N -1 0 318.351 -0.570 20 0 DBADRM COC(=O)C[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC000737595257 600244363 /nfs/dbraw/zinc/24/43/63/600244363.db2.gz BVEVGLUMSALZOV-QMMMGPOBSA-N -1 0 318.326 -0.014 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)OC[C@@H]1CCCO1 ZINC000737566117 600245675 /nfs/dbraw/zinc/24/56/75/600245675.db2.gz KZQCFSJEUGJSGV-GUBZILKMSA-N -1 0 303.311 -0.297 20 0 DBADRM Cn1cc(C(=O)NCCCCCCC(=O)[O-])c(=O)n(C)c1=O ZINC000738407565 600248934 /nfs/dbraw/zinc/24/89/34/600248934.db2.gz ZDZWDOJXDVCNCC-UHFFFAOYSA-N -1 0 311.338 -0.151 20 0 DBADRM C[C@@H](CN(C(=O)c1cn(C)c(=O)n(C)c1=O)C1CC1)C(=O)[O-] ZINC000736570748 600250394 /nfs/dbraw/zinc/25/03/94/600250394.db2.gz BXYOKCHJIVOGAE-QMMMGPOBSA-N -1 0 309.322 -0.591 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NCCSCCC(=O)[O-])C1=O ZINC000736736904 600251955 /nfs/dbraw/zinc/25/19/55/600251955.db2.gz IHFORPWWMQFKKY-UHFFFAOYSA-N -1 0 317.367 -0.359 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CCCn1ccccc1=O)C(=O)[O-] ZINC000737595194 600254919 /nfs/dbraw/zinc/25/49/19/600254919.db2.gz AVTRYZAIACDXQZ-SNVBAGLBSA-N -1 0 310.306 -0.239 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cnn2ccccc12 ZINC000318187170 600255389 /nfs/dbraw/zinc/25/53/89/600255389.db2.gz QMCIZGNRFJPTLS-LLVKDONJSA-N -1 0 302.290 -0.250 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)CCSCC(=O)[O-])C1 ZINC000738158072 600259238 /nfs/dbraw/zinc/25/92/38/600259238.db2.gz PWLAKTNVAKENKZ-MRVPVSSYSA-N -1 0 310.397 -0.656 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)CCSCC(=O)[O-])C1 ZINC000738158074 600259308 /nfs/dbraw/zinc/25/93/08/600259308.db2.gz PWLAKTNVAKENKZ-QMMMGPOBSA-N -1 0 310.397 -0.656 20 0 DBADRM C[S@@](=O)CCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000169119700 600263596 /nfs/dbraw/zinc/26/35/96/600263596.db2.gz PTPZMPARFVHHIE-IBGZPJMESA-N -1 0 321.376 -0.193 20 0 DBADRM CCc1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])[nH]n1 ZINC000737250309 600265420 /nfs/dbraw/zinc/26/54/20/600265420.db2.gz BNOUTMJGKDEFRU-UHFFFAOYSA-N -1 0 310.354 -0.169 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)NCCCCC(=O)[O-])C1 ZINC000702992242 600265598 /nfs/dbraw/zinc/26/55/98/600265598.db2.gz HFGOBDHSIKHTMV-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM COC(=O)CN(CCN1CCOCC1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000737619407 600265663 /nfs/dbraw/zinc/26/56/63/600265663.db2.gz GWLWWYMIAKTZPX-WDEREUQCSA-N -1 0 314.338 -0.959 20 0 DBADRM Cn1cc(/C=C/C(=O)N(CCN2CCOCC2)CC(=O)[O-])cn1 ZINC000739026820 600265915 /nfs/dbraw/zinc/26/59/15/600265915.db2.gz KDLZUSSXAQTOMY-NSCUHMNNSA-N -1 0 322.365 -0.321 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1ccc(=O)[nH]c1 ZINC000739785692 600266226 /nfs/dbraw/zinc/26/62/26/600266226.db2.gz GQGKFYWTFGPVKD-UHFFFAOYSA-N -1 0 309.322 -0.354 20 0 DBADRM Cn1cc(C(=O)Nc2cccc(C(=O)[O-])c2O)c(=O)n(C)c1=O ZINC000739022005 600266709 /nfs/dbraw/zinc/26/67/09/600266709.db2.gz GDWRESOTBUCYMP-UHFFFAOYSA-N -1 0 319.273 -0.260 20 0 DBADRM CNC(=O)c1cccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000737550101 600284541 /nfs/dbraw/zinc/28/45/41/600284541.db2.gz BWZXKGDXXAHJDK-GFCCVEGCSA-N -1 0 305.334 -0.179 20 0 DBADRM O=C([O-])[C@@H]1CN(CCN2C(=O)CNC2=O)c2ccccc2O1 ZINC000739615376 600288056 /nfs/dbraw/zinc/28/80/56/600288056.db2.gz AJISCNSPRSQJTP-NSHDSACASA-N -1 0 305.290 -0.110 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736152363 600297131 /nfs/dbraw/zinc/29/71/31/600297131.db2.gz MROVGOPAVHYFKL-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)N2CCNC(=O)C2)ccc1F ZINC000740305588 600307143 /nfs/dbraw/zinc/30/71/43/600307143.db2.gz LLTYRNKUCWNSRG-UHFFFAOYSA-N -1 0 309.253 -0.579 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000739292795 600310162 /nfs/dbraw/zinc/31/01/62/600310162.db2.gz DSJIGKXWQVEZJI-MNOVXSKESA-N -1 0 322.317 -0.084 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737537720 600310955 /nfs/dbraw/zinc/31/09/55/600310955.db2.gz XOYFCRACOBLEIU-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM CCn1c(C)nnc1CN(CCN1CCOCC1)CC(=O)[O-] ZINC000737293428 600316666 /nfs/dbraw/zinc/31/66/66/600316666.db2.gz CKHJEJVXOABXBO-UHFFFAOYSA-N -1 0 311.386 -0.175 20 0 DBADRM CCN(CCCC(=O)[O-])CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000737100992 600317004 /nfs/dbraw/zinc/31/70/04/600317004.db2.gz RIPRSNYPSLGUOA-SNVBAGLBSA-N -1 0 306.384 -0.524 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736670653 600318090 /nfs/dbraw/zinc/31/80/90/600318090.db2.gz OARHWQIMGXBMRQ-IUCAKERBSA-N -1 0 304.368 -0.363 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000739161591 600321448 /nfs/dbraw/zinc/32/14/48/600321448.db2.gz WNLXMVGVZWZHQJ-MRVPVSSYSA-N -1 0 323.280 -0.204 20 0 DBADRM O=C([O-])Nc1cccc(NC(=O)C(=O)NCCOCCO)c1 ZINC000740039284 600330915 /nfs/dbraw/zinc/33/09/15/600330915.db2.gz NNIZESNMCHIBSM-UHFFFAOYSA-N -1 0 311.294 -0.160 20 0 DBADRM CS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000738126176 600332057 /nfs/dbraw/zinc/33/20/57/600332057.db2.gz CCWFPVBPXJBZDX-UHFFFAOYSA-N -1 0 314.319 -0.516 20 0 DBADRM CCNC(=O)c1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1 ZINC000737123099 600333371 /nfs/dbraw/zinc/33/33/71/600333371.db2.gz TVBLBOPJUMJESR-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM COCC(=O)Nc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000737734353 600333433 /nfs/dbraw/zinc/33/34/33/600333433.db2.gz XXYUIVZKFWXCLK-UHFFFAOYSA-N -1 0 323.305 -0.199 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000738588928 600333564 /nfs/dbraw/zinc/33/35/64/600333564.db2.gz UVLUURAUYOEXLS-UHFFFAOYSA-N -1 0 304.266 -0.808 20 0 DBADRM CC(=O)NCc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000736155324 600334639 /nfs/dbraw/zinc/33/46/39/600334639.db2.gz BMELFNNZUFGNBM-UHFFFAOYSA-N -1 0 307.306 -0.148 20 0 DBADRM CCN1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1 ZINC000070446445 600337430 /nfs/dbraw/zinc/33/74/30/600337430.db2.gz XRNALLAZWXYUMV-UHFFFAOYSA-N -1 0 302.356 -0.257 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)Cc2cnn(C)c2)c1C(=O)[O-] ZINC000070197604 600339161 /nfs/dbraw/zinc/33/91/61/600339161.db2.gz BBZZBCWFUPWAIK-UHFFFAOYSA-N -1 0 313.339 -0.029 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000736588965 600343983 /nfs/dbraw/zinc/34/39/83/600343983.db2.gz UEWSVLFWCQFPKH-MRVPVSSYSA-N -1 0 318.293 -0.562 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000736588074 600344272 /nfs/dbraw/zinc/34/42/72/600344272.db2.gz KZOLEFRIPJWVQB-SSDOTTSWSA-N -1 0 305.290 -0.043 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738180698 600348822 /nfs/dbraw/zinc/34/88/22/600348822.db2.gz YLDSUGPHYRZDQU-NRFANRHFSA-N -1 0 316.310 -0.043 20 0 DBADRM O=C([O-])C[C@@H]1NC(=O)N(CCCOC[C@H]2CCCO2)C1=O ZINC000739656821 600362145 /nfs/dbraw/zinc/36/21/45/600362145.db2.gz RUDLAURRCSEWSL-ZJUUUORDSA-N -1 0 300.311 -0.033 20 0 DBADRM COc1cccc([C@@H](O)C(=O)OCC(=O)NCCC(=O)[O-])c1 ZINC000738089038 600367091 /nfs/dbraw/zinc/36/70/91/600367091.db2.gz BMIBXBIKAUFOMV-CYBMUJFWSA-N -1 0 311.290 -0.137 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CN1C(=O)CCc2ccccc21 ZINC000739812139 600370542 /nfs/dbraw/zinc/37/05/42/600370542.db2.gz AKOCJLSVXICBJU-UHFFFAOYSA-N -1 0 320.301 -0.290 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000737550992 600372031 /nfs/dbraw/zinc/37/20/31/600372031.db2.gz CNDYVPUZYINNNU-IHWYPQMZSA-N -1 0 321.289 -0.802 20 0 DBADRM C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000737676896 600387521 /nfs/dbraw/zinc/38/75/21/600387521.db2.gz RPZAKTITXSVPKO-YIZRAAEISA-N -1 0 302.327 -0.054 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)CCSCC(=O)[O-])CCO1 ZINC000736146834 600395146 /nfs/dbraw/zinc/39/51/46/600395146.db2.gz CBRAWROPIWJEKX-JTQLQIEISA-N -1 0 304.368 -0.442 20 0 DBADRM COC[C@H](C)S(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737747917 600414630 /nfs/dbraw/zinc/41/46/30/600414630.db2.gz PJEGAUUEQIILPK-NSHDSACASA-N -1 0 324.399 -0.930 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(CN2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000737373849 600418541 /nfs/dbraw/zinc/41/85/41/600418541.db2.gz JMGCRKPRQYRKLQ-SNVBAGLBSA-N -1 0 316.383 -0.113 20 0 DBADRM CC(C)(CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])N1CCS(=O)CC1 ZINC000736320211 600418825 /nfs/dbraw/zinc/41/88/25/600418825.db2.gz LRWWEBLQHUKAGX-UWVGGRQHSA-N -1 0 302.396 -0.334 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CSc1cccc[n+]1[O-] ZINC000737770128 600420783 /nfs/dbraw/zinc/42/07/83/600420783.db2.gz ALECXAKAQRVQMU-UHFFFAOYSA-N -1 0 300.336 -0.028 20 0 DBADRM O=C([O-])C1=NC2=NS(=O)(=O)c3ccccc3N2N1CCO ZINC000739520296 600424551 /nfs/dbraw/zinc/42/45/51/600424551.db2.gz RPGOGWSZRAMAQD-UHFFFAOYSA-N -1 0 310.291 -0.743 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCNC(=O)[C@@H]1c1ccccc1 ZINC000739805477 600437180 /nfs/dbraw/zinc/43/71/80/600437180.db2.gz HAVJAICMCNHSJO-AWEZNQCLSA-N -1 0 305.334 -0.250 20 0 DBADRM Nc1c(C(=O)CN2CCC[C@H]2C(=O)[O-])c(=O)[nH]c(=O)n1C1CC1 ZINC000739201943 600437736 /nfs/dbraw/zinc/43/77/36/600437736.db2.gz XNLGYESEYYBQMX-QMMMGPOBSA-N -1 0 322.321 -0.402 20 0 DBADRM Cc1nc(CN2CCN([C@H](C)C(=O)NCC(=O)[O-])CC2)no1 ZINC000738858468 600442819 /nfs/dbraw/zinc/44/28/19/600442819.db2.gz UAURASKYUNNFFV-SECBINFHSA-N -1 0 311.342 -0.915 20 0 DBADRM COCCN(CC(=O)[O-])CC(=O)N1CCC(C(=O)OC)CC1 ZINC000737777511 600446633 /nfs/dbraw/zinc/44/66/33/600446633.db2.gz AENNYQOUENGLNX-UHFFFAOYSA-N -1 0 316.354 -0.569 20 0 DBADRM Cc1[nH]c(C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c(C)c1C(=O)[O-] ZINC000738162195 600460511 /nfs/dbraw/zinc/46/05/11/600460511.db2.gz UGKCSFYBRWISIF-MRVPVSSYSA-N -1 0 315.351 -0.167 20 0 DBADRM CS(=O)(=O)CCNC(=S)NCc1ccc(C(=O)[O-])o1 ZINC000738152927 600467315 /nfs/dbraw/zinc/46/73/15/600467315.db2.gz BJICGVXIABRMNE-UHFFFAOYSA-N -1 0 306.365 -0.014 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)N3CC[C@H](C(=O)[O-])C3)C2=O)cn1 ZINC000739033011 600467208 /nfs/dbraw/zinc/46/72/08/600467208.db2.gz CPWIPYAORFXSBJ-GXSJLCMTSA-N -1 0 321.337 -0.359 20 0 DBADRM O=C([O-])C[C@@H]1NC(=O)N([C@@H]2CCN(CC(F)(F)F)C2=O)C1=O ZINC000739656692 600473314 /nfs/dbraw/zinc/47/33/14/600473314.db2.gz FNNFVKYXLLFBGS-NTSWFWBYSA-N -1 0 323.227 -0.455 20 0 DBADRM C[C@H](NC(=O)Cn1cnc(C(=O)[O-])n1)C(=O)N1CCCCC1 ZINC000736643617 600473663 /nfs/dbraw/zinc/47/36/63/600473663.db2.gz WWGXVUNPOCMOIT-VIFPVBQESA-N -1 0 309.326 -0.507 20 0 DBADRM O=C([O-])c1ncn(CC(=O)NCCCN2CCCCCC2=O)n1 ZINC000739362295 600475043 /nfs/dbraw/zinc/47/50/43/600475043.db2.gz QZPRFERWUTXNII-UHFFFAOYSA-N -1 0 323.353 -0.115 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)Cn1cnnc1[S@@](C)=O)C(=O)[O-] ZINC000736872549 600475709 /nfs/dbraw/zinc/47/57/09/600475709.db2.gz IGRXPWRKGDNULZ-NELRZYJYSA-N -1 0 302.356 -0.369 20 0 DBADRM O=C([O-])CNC(=O)CSc1nnnn1C[C@@H]1CCCO1 ZINC000739813599 600479560 /nfs/dbraw/zinc/47/95/60/600479560.db2.gz MGRRVSNUEGLSQJ-ZETCQYMHSA-N -1 0 301.328 -0.855 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)NCCC(=O)N2CCOCC2)C1 ZINC000316989664 600487452 /nfs/dbraw/zinc/48/74/52/600487452.db2.gz FKQFSUKHVZITBI-LLVKDONJSA-N -1 0 313.354 -0.259 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000390126277 600488898 /nfs/dbraw/zinc/48/88/98/600488898.db2.gz ZIDAYVHNDNXTMU-SECBINFHSA-N -1 0 307.372 -0.568 20 0 DBADRM CN(CCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000737439374 600489428 /nfs/dbraw/zinc/48/94/28/600489428.db2.gz MQFQKUUPLPPUKG-SNVBAGLBSA-N -1 0 321.399 -0.226 20 0 DBADRM CC(C)C(=O)N1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000037836330 600491006 /nfs/dbraw/zinc/49/10/06/600491006.db2.gz NJPWJQRNPFJFRQ-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM COCCN1CCN(S(=O)(=O)CCCC(=O)[O-])C[C@@H]1C ZINC000737814469 600500603 /nfs/dbraw/zinc/50/06/03/600500603.db2.gz JOTNHNLYVPROCF-NSHDSACASA-N -1 0 308.400 -0.167 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(C)C1=O ZINC000738520208 600510386 /nfs/dbraw/zinc/51/03/86/600510386.db2.gz VOVZFKUUHWCYEH-SNVBAGLBSA-N -1 0 319.317 -0.021 20 0 DBADRM C[C@@H](NC(N)=O)C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000736661883 600554763 /nfs/dbraw/zinc/55/47/63/600554763.db2.gz JCVXPUDXJSKIKQ-RXMQYKEDSA-N -1 0 301.328 -0.059 20 0 DBADRM NC(=O)COc1cccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1 ZINC000739160808 600537346 /nfs/dbraw/zinc/53/73/46/600537346.db2.gz LKZVXRHCFWGTDN-UHFFFAOYSA-N -1 0 319.277 -0.452 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(S(C)(=O)=O)o1 ZINC000737572443 600568213 /nfs/dbraw/zinc/56/82/13/600568213.db2.gz CAERGNMQROVURY-LURJTMIESA-N -1 0 319.291 -0.571 20 0 DBADRM C[C@@H](CNC(=O)Nc1ccn(CC(=O)[O-])n1)N1CCOCC1 ZINC000736599524 600570499 /nfs/dbraw/zinc/57/04/99/600570499.db2.gz WKYDSDPCXPPFTK-JTQLQIEISA-N -1 0 311.342 -0.190 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)c1cccs1 ZINC000739269442 600574961 /nfs/dbraw/zinc/57/49/61/600574961.db2.gz XFLCANBJHAKKHQ-JTQLQIEISA-N -1 0 323.330 -0.070 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000737606334 600577453 /nfs/dbraw/zinc/57/74/53/600577453.db2.gz YVAFWVANRXMTCU-JTQLQIEISA-N -1 0 322.317 -0.109 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000737606336 600577667 /nfs/dbraw/zinc/57/76/67/600577667.db2.gz YVAFWVANRXMTCU-SNVBAGLBSA-N -1 0 322.317 -0.109 20 0 DBADRM C[C@@H](CN(C)C(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)[O-] ZINC000736570871 600594427 /nfs/dbraw/zinc/59/44/27/600594427.db2.gz FMQBQFCCJSNWRT-JUXJKVCFSA-N -1 0 311.338 -0.066 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000262379202 600614109 /nfs/dbraw/zinc/61/41/09/600614109.db2.gz CFZCYENDVTVARF-GXFFZTMASA-N -1 0 308.338 -0.127 20 0 DBADRM CCOC(=O)c1cnn(C)c1NC(=O)Cn1cnc(C(=O)[O-])n1 ZINC000737154604 600614999 /nfs/dbraw/zinc/61/49/99/600614999.db2.gz FFPGEWGFHYZGAG-UHFFFAOYSA-N -1 0 322.281 -0.475 20 0 DBADRM C[C@@](NC(=O)CN1CCS(=O)(=O)CC1)(C(=O)[O-])C1CC1 ZINC000736639831 600617038 /nfs/dbraw/zinc/61/70/38/600617038.db2.gz XIVZMJQNGISFIQ-LBPRGKRZSA-N -1 0 304.368 -0.914 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC1CCN(C(=O)[O-])CC1 ZINC000736388695 600631016 /nfs/dbraw/zinc/63/10/16/600631016.db2.gz CPRLBENOWOILDC-SNVBAGLBSA-N -1 0 321.399 -0.181 20 0 DBADRM CCc1[nH]c(C(=O)NCCN2C(=O)CNC2=O)c(C)c1C(=O)[O-] ZINC000737244568 600633390 /nfs/dbraw/zinc/63/33/90/600633390.db2.gz PDPOXBDWCKPLNJ-UHFFFAOYSA-N -1 0 322.321 -0.135 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)c2ccccc2O1 ZINC000740306989 600638783 /nfs/dbraw/zinc/63/87/83/600638783.db2.gz KZTPKOSIUPGXJA-JTQLQIEISA-N -1 0 319.273 -0.583 20 0 DBADRM CCNC(=O)CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000036780564 600646011 /nfs/dbraw/zinc/64/60/11/600646011.db2.gz LZJGPABSCCXZMZ-UHFFFAOYSA-N -1 0 300.336 -0.272 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2CCNC(=O)CC2)cc1 ZINC000062100987 600649439 /nfs/dbraw/zinc/64/94/39/600649439.db2.gz XOGCEGPOXYVKAU-UHFFFAOYSA-N -1 0 312.347 -0.176 20 0 DBADRM COCCN(CC(=O)OC)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737779421 600651372 /nfs/dbraw/zinc/65/13/72/600651372.db2.gz HQUMFOXTMDMZLP-UHFFFAOYSA-N -1 0 321.307 -0.212 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000831176341 600675975 /nfs/dbraw/zinc/67/59/75/600675975.db2.gz YQKWCTAQPYRUQL-VXNVDRBHSA-N -1 0 304.299 -0.501 20 0 DBADRM COCCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000831743754 600698313 /nfs/dbraw/zinc/69/83/13/600698313.db2.gz DLMVTWMHOXJWIY-UHFFFAOYSA-N -1 0 318.351 -0.070 20 0 DBADRM COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000035651852 600699935 /nfs/dbraw/zinc/69/99/35/600699935.db2.gz HEYKFUGZHNIZHJ-VIFPVBQESA-N -1 0 317.323 -0.706 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)CC1CCOCC1 ZINC000831073883 600700770 /nfs/dbraw/zinc/70/07/70/600700770.db2.gz SGQATAOQTOXODI-VIFPVBQESA-N -1 0 309.340 -0.651 20 0 DBADRM C[C@H](CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)N1CCOCC1 ZINC000827501698 600705681 /nfs/dbraw/zinc/70/56/81/600705681.db2.gz AQIKMTHMBZSRIJ-SECBINFHSA-N -1 0 317.367 -0.288 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000042551390 600709852 /nfs/dbraw/zinc/70/98/52/600709852.db2.gz XPROMCFQMQSZGC-UHFFFAOYSA-N -1 0 305.312 -0.849 20 0 DBADRM NC(=O)Cn1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)nn1 ZINC000833083105 600712993 /nfs/dbraw/zinc/71/29/93/600712993.db2.gz NPCABISHWUOCQM-NSHDSACASA-N -1 0 322.252 -0.115 20 0 DBADRM NC(=O)Cn1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)nn1 ZINC000833082430 600713018 /nfs/dbraw/zinc/71/30/18/600713018.db2.gz BNHVMNNERMBGEO-LLVKDONJSA-N -1 0 304.262 -0.254 20 0 DBADRM NC(=O)Cn1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)nn1 ZINC000833083304 600713053 /nfs/dbraw/zinc/71/30/53/600713053.db2.gz RUPANFNAFRAGKU-LLVKDONJSA-N -1 0 322.252 -0.115 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccccc1Cn1cncn1 ZINC000821532836 600715136 /nfs/dbraw/zinc/71/51/36/600715136.db2.gz ULGXWNWUHMTBKV-UHFFFAOYSA-N -1 0 318.289 -0.316 20 0 DBADRM CN1CCN(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1=O ZINC000737526857 600716398 /nfs/dbraw/zinc/71/63/98/600716398.db2.gz XUEXQTRPCFWBSI-ZDUSSCGKSA-N -1 0 319.361 -0.428 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c[nH]1 ZINC000261700702 600716513 /nfs/dbraw/zinc/71/65/13/600716513.db2.gz OAPLMLLJKHABMP-SSDOTTSWSA-N -1 0 302.308 -0.104 20 0 DBADRM CCN(CCC(=O)OC)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000829704739 600719721 /nfs/dbraw/zinc/71/97/21/600719721.db2.gz GVZZDIXDXIKEHX-UHFFFAOYSA-N -1 0 319.339 -0.459 20 0 DBADRM CN(CCCNC(=O)N1CCC[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000737439373 600719971 /nfs/dbraw/zinc/71/99/71/600719971.db2.gz MQFQKUUPLPPUKG-JTQLQIEISA-N -1 0 321.399 -0.226 20 0 DBADRM CC[C@](C)(NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(=O)OC ZINC000828699991 600730728 /nfs/dbraw/zinc/73/07/28/600730728.db2.gz DMTURDNPJLOZBF-NSHDSACASA-N -1 0 319.339 -0.412 20 0 DBADRM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000110687055 600741738 /nfs/dbraw/zinc/74/17/38/600741738.db2.gz OFIUDHWHEJVFEC-SECBINFHSA-N -1 0 301.324 -0.388 20 0 DBADRM CC[S@](=O)CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000132132517 600743800 /nfs/dbraw/zinc/74/38/00/600743800.db2.gz RSXFOOYTYNFAOT-GOSISDBHSA-N -1 0 309.369 -0.985 20 0 DBADRM C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000091394484 600743817 /nfs/dbraw/zinc/74/38/17/600743817.db2.gz XZYQQABZVUFGFC-JTQLQIEISA-N -1 0 316.383 -0.318 20 0 DBADRM CN1CCN(C)[C@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000068803911 600744810 /nfs/dbraw/zinc/74/48/10/600744810.db2.gz AEXUELJWRUSVAJ-SECBINFHSA-N -1 0 316.383 -0.763 20 0 DBADRM Cc1cnn(CCNS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000235953019 600752565 /nfs/dbraw/zinc/75/25/65/600752565.db2.gz ZCCUHOZVJURQTA-UHFFFAOYSA-N -1 0 313.339 -0.549 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000832670696 600755388 /nfs/dbraw/zinc/75/53/88/600755388.db2.gz ZIYZPOXUBOJJNM-JTQLQIEISA-N -1 0 322.383 -0.446 20 0 DBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC000108275521 600772732 /nfs/dbraw/zinc/77/27/32/600772732.db2.gz VVNSWRSCTQOSJL-MRVPVSSYSA-N -1 0 316.335 -0.093 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCCNC(=O)C2)cc1C(=O)[O-] ZINC000087885288 600777863 /nfs/dbraw/zinc/77/78/63/600777863.db2.gz JQFNKSRHOMFDND-UHFFFAOYSA-N -1 0 301.324 -0.766 20 0 DBADRM Cc1nonc1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000833023540 600781430 /nfs/dbraw/zinc/78/14/30/600781430.db2.gz DYCCJHNQJFOFQV-UHFFFAOYSA-N -1 0 304.328 -0.491 20 0 DBADRM Cc1nonc1CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833023985 600781479 /nfs/dbraw/zinc/78/14/79/600781479.db2.gz QEAPGTDBIPYYAD-UHFFFAOYSA-N -1 0 301.284 -0.862 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC000738154950 600784704 /nfs/dbraw/zinc/78/47/04/600784704.db2.gz NDTLKUAYBDECCV-JGVFFNPUSA-N -1 0 301.324 -0.413 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)CCSCC(=O)[O-])CCO1 ZINC000737134501 600790917 /nfs/dbraw/zinc/79/09/17/600790917.db2.gz DCZLEVHYQRZEAJ-VIFPVBQESA-N -1 0 305.352 -0.015 20 0 DBADRM CCN1CC[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000389276459 600792706 /nfs/dbraw/zinc/79/27/06/600792706.db2.gz GWGBMUKFVREKQR-VIFPVBQESA-N -1 0 302.356 -0.660 20 0 DBADRM COC[C@@H]1CN(c2cc(C)nc3nc(C(=O)[O-])nn32)CCO1 ZINC000831670898 600816415 /nfs/dbraw/zinc/81/64/15/600816415.db2.gz ACEYCHLSCLAHGO-VIFPVBQESA-N -1 0 307.310 -0.017 20 0 DBADRM Cc1cc(N2CC[C@@H](N3CCO[C@@H](C(=O)[O-])C3)C2=O)n(C)n1 ZINC000818829868 600825587 /nfs/dbraw/zinc/82/55/87/600825587.db2.gz QOBPVUDYXPWWJZ-GHMZBOCLSA-N -1 0 308.338 -0.381 20 0 DBADRM C[C@H](C(=O)[O-])N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000817791709 600841456 /nfs/dbraw/zinc/84/14/56/600841456.db2.gz PYIJKEARRDTYPT-SECBINFHSA-N -1 0 303.340 -0.405 20 0 DBADRM NC(=O)Cn1cc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)nn1 ZINC000833083302 600861226 /nfs/dbraw/zinc/86/12/26/600861226.db2.gz RPRFEDWTGVNCMN-UHFFFAOYSA-N -1 0 319.277 -0.521 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)c1cccc(C(=O)[O-])n1 ZINC000738155516 600871665 /nfs/dbraw/zinc/87/16/65/600871665.db2.gz QVCHFWFAFUSCHZ-UHFFFAOYSA-N -1 0 316.335 -0.429 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000830706631 600877217 /nfs/dbraw/zinc/87/72/17/600877217.db2.gz OHNZQMWZIUDRNL-UHFFFAOYSA-N -1 0 321.333 -0.069 20 0 DBADRM CC[NH+]1CCN(CCC(=O)N[C@H](CC(=O)[O-])C(=O)OC)CC1 ZINC000829776654 600877570 /nfs/dbraw/zinc/87/75/70/600877570.db2.gz SKSMBDULYVYWHJ-LLVKDONJSA-N -1 0 315.370 -0.854 20 0 DBADRM COC(=O)[C@H](C)NC(=O)c1ccnc(C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000831215210 600881304 /nfs/dbraw/zinc/88/13/04/600881304.db2.gz MGJDZKVIUNINGT-YUMQZZPRSA-N -1 0 323.305 -0.424 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCC(=O)N1CCOCC1)c1ccccn1 ZINC000833096991 600911664 /nfs/dbraw/zinc/91/16/64/600911664.db2.gz YDQMAUMVOSPKLK-AWEZNQCLSA-N -1 0 321.333 -0.038 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N[C@H](C(=O)[O-])c2ccccn2)C1=O ZINC000828081744 600916714 /nfs/dbraw/zinc/91/67/14/600916714.db2.gz BHGMRCNSFLJKHJ-JTQLQIEISA-N -1 0 320.305 -0.346 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2=O)n(C)n1 ZINC000832889587 600919689 /nfs/dbraw/zinc/91/96/89/600919689.db2.gz RDDKBNRQYLUQPZ-AEJSXWLSSA-N -1 0 306.322 -0.329 20 0 DBADRM CCC(CC)(NC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000828828973 600924640 /nfs/dbraw/zinc/92/46/40/600924640.db2.gz LJRAJAKOXMHLGY-UHFFFAOYSA-N -1 0 306.384 -0.524 20 0 DBADRM CCC(CC)(NC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000342517905 600925006 /nfs/dbraw/zinc/92/50/06/600925006.db2.gz CRNWWSXIAJUDIL-UHFFFAOYSA-N -1 0 321.337 -0.110 20 0 DBADRM Cc1nc(SCCC(=O)N2CCO[C@H](C(=O)[O-])C2)n[nH]1 ZINC000819035919 600929208 /nfs/dbraw/zinc/92/92/08/600929208.db2.gz LABUDWSYUKHYSY-QMMMGPOBSA-N -1 0 300.340 -0.093 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000320699055 600930681 /nfs/dbraw/zinc/93/06/81/600930681.db2.gz NUWNRDCEZGPJMU-VXGBXAGGSA-N -1 0 311.382 -0.103 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)NCCSCC(=O)[O-] ZINC000828041990 600934299 /nfs/dbraw/zinc/93/42/99/600934299.db2.gz JZTWZYJNRFLLMF-UHFFFAOYSA-N -1 0 303.340 -0.749 20 0 DBADRM COc1ccc(C(=O)[O-])c(OC(=O)c2cn(CC(N)=O)nn2)c1 ZINC000832182233 600939072 /nfs/dbraw/zinc/93/90/72/600939072.db2.gz GMMMWGQSZZWGAJ-UHFFFAOYSA-N -1 0 320.261 -0.311 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1OC(=O)c1cn(CC(N)=O)nn1 ZINC000832918523 600940770 /nfs/dbraw/zinc/94/07/70/600940770.db2.gz JOEPLMMASNDJBB-UHFFFAOYSA-N -1 0 304.262 -0.011 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCCCN2C(=O)CNC2=O)C1 ZINC000833182712 600940924 /nfs/dbraw/zinc/94/09/24/600940924.db2.gz FDRMDWODHGJVBF-VHSXEESVSA-N -1 0 311.338 -0.065 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)C1CCC(=O)CC1 ZINC000833248737 600943679 /nfs/dbraw/zinc/94/36/79/600943679.db2.gz ZWOVKOZOFZBVLL-UHFFFAOYSA-N -1 0 312.366 -0.009 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000226740449 600943693 /nfs/dbraw/zinc/94/36/93/600943693.db2.gz LKIRWLIGIYYSLC-ZJUUUORDSA-N -1 0 306.384 -0.067 20 0 DBADRM CN1CCO[C@H](C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)C1 ZINC000830960634 600954846 /nfs/dbraw/zinc/95/48/46/600954846.db2.gz VJUWDRKSIOVTBA-NEPJUHHUSA-N -1 0 300.355 -0.201 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)C(N)=O ZINC000825879485 600960635 /nfs/dbraw/zinc/96/06/35/600960635.db2.gz WBUAOIJKZCTTKS-AAEUAGOBSA-N -1 0 321.333 -0.349 20 0 DBADRM COC[C@@H]1CN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])CCO1 ZINC000737752809 600969337 /nfs/dbraw/zinc/96/93/37/600969337.db2.gz ZZXSCRLYSSXEJX-RYUDHWBXSA-N -1 0 302.371 -0.051 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000831000817 600972854 /nfs/dbraw/zinc/97/28/54/600972854.db2.gz NANSZVNJMAQDGO-DTWKUNHWSA-N -1 0 309.326 -0.146 20 0 DBADRM CCN(CC(=O)[O-])CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000829635455 600984856 /nfs/dbraw/zinc/98/48/56/600984856.db2.gz JZBPYKJSICDDHO-LLVKDONJSA-N -1 0 308.338 -0.298 20 0 DBADRM CC(=O)N[C@H]1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000088769610 600993594 /nfs/dbraw/zinc/99/35/94/600993594.db2.gz WLCTZKHDBRVPSK-JTQLQIEISA-N -1 0 307.372 -0.762 20 0 DBADRM CN(C)S(=O)(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000737376191 601047330 /nfs/dbraw/zinc/04/73/30/601047330.db2.gz OHHKEOVZTWKYPG-UHFFFAOYSA-N -1 0 315.351 -0.352 20 0 DBADRM C/C(=C/CN(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000825730386 601049706 /nfs/dbraw/zinc/04/97/06/601049706.db2.gz WAHXXSHSQXPCSV-KSXVILFYSA-N -1 0 304.368 -0.748 20 0 DBADRM Cn1nc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1C1CC1 ZINC000739049800 601054855 /nfs/dbraw/zinc/05/48/55/601054855.db2.gz HRLMNGVMROHNKC-NSHDSACASA-N -1 0 306.322 -0.287 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000827575913 601059677 /nfs/dbraw/zinc/05/96/77/601059677.db2.gz SHCGXAFSWLHWAZ-ZETCQYMHSA-N -1 0 304.328 -0.478 20 0 DBADRM CNC(=O)[C@H]1CCCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC000830978609 601060077 /nfs/dbraw/zinc/06/00/77/601060077.db2.gz FLCNBZULNGKOBX-VIFPVBQESA-N -1 0 309.326 -0.042 20 0 DBADRM CC(C)c1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n(C)n1 ZINC000827101779 601080687 /nfs/dbraw/zinc/08/06/87/601080687.db2.gz GBCZLYGWWSRZLM-JTQLQIEISA-N -1 0 308.338 -0.041 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCCS(C)(=O)=O)CC1 ZINC000827362680 601085322 /nfs/dbraw/zinc/08/53/22/601085322.db2.gz SGFYCTMCAXAJBO-LLVKDONJSA-N -1 0 320.411 -0.181 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)C(=O)c2cnn(C)c2)CC1 ZINC000827354291 601097545 /nfs/dbraw/zinc/09/75/45/601097545.db2.gz DHWVHRCEXFYDJR-SNVBAGLBSA-N -1 0 308.338 -0.390 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCO[C@H](CNc2cccnn2)C1 ZINC000736209159 601106351 /nfs/dbraw/zinc/10/63/51/601106351.db2.gz QBUYDNSFSBHUJJ-GHMZBOCLSA-N -1 0 323.353 -0.821 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCO[C@@H](CNc2cccnn2)C1 ZINC000739735481 601107531 /nfs/dbraw/zinc/10/75/31/601107531.db2.gz XFBDVGWMTKXXQZ-NSHDSACASA-N -1 0 323.353 -0.820 20 0 DBADRM CC(=O)NC1(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])CCCCC1 ZINC000825863043 601113084 /nfs/dbraw/zinc/11/30/84/601113084.db2.gz FYIPJXDCBLSADM-SECBINFHSA-N -1 0 314.338 -0.042 20 0 DBADRM Cc1nc(CN(C)[C@H]2CCN(CC(=O)NCC(=O)[O-])C2)no1 ZINC000738854080 601113903 /nfs/dbraw/zinc/11/39/03/601113903.db2.gz DGBFFFYPYHVJDX-JTQLQIEISA-N -1 0 311.342 -0.915 20 0 DBADRM CC(C)OCCN1CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC000827031045 601115772 /nfs/dbraw/zinc/11/57/72/601115772.db2.gz QYBYLAXSWDHAFL-UHFFFAOYSA-N -1 0 301.387 -0.380 20 0 DBADRM NC(=O)c1cc([C@@H]2CCCN(CC(=O)NCCC(=O)[O-])C2)n[nH]1 ZINC000739177479 601119399 /nfs/dbraw/zinc/11/93/99/601119399.db2.gz NNSVEGCXHQCNDZ-SECBINFHSA-N -1 0 323.353 -0.721 20 0 DBADRM C[C@H](OC(=O)c1nonc1N)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000827873676 601121560 /nfs/dbraw/zinc/12/15/60/601121560.db2.gz LVLSMFZUSXVBGA-LURJTMIESA-N -1 0 312.282 -0.480 20 0 DBADRM CN1CCO[C@@H](C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000737528918 601126228 /nfs/dbraw/zinc/12/62/28/601126228.db2.gz DQBORSLVWPTRRZ-GFCCVEGCSA-N -1 0 321.333 -0.230 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCCCN2CCOCC2)CC1 ZINC000833202949 601130538 /nfs/dbraw/zinc/13/05/38/601130538.db2.gz UIGLUMFLOUPCSX-UHFFFAOYSA-N -1 0 320.411 -0.117 20 0 DBADRM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000833360331 601133890 /nfs/dbraw/zinc/13/38/90/601133890.db2.gz FVVWJBBJRYLFIX-NWDGAFQWSA-N -1 0 321.308 -0.406 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N2CC[C@@H](O)C2)cc1 ZINC000833255161 601175481 /nfs/dbraw/zinc/17/54/81/601175481.db2.gz ZIUSSUBCSFFNAW-SNVBAGLBSA-N -1 0 308.290 -0.318 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(C2CC2)C(=O)C1)C(=O)[O-] ZINC000828717451 601181146 /nfs/dbraw/zinc/18/11/46/601181146.db2.gz JOCVMMJFBIRZHC-IINYFYTJSA-N -1 0 311.382 -0.092 20 0 DBADRM NC(=O)Nc1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000833085125 601195733 /nfs/dbraw/zinc/19/57/33/601195733.db2.gz AEEISVLAHCRURL-UHFFFAOYSA-N -1 0 318.293 -0.217 20 0 DBADRM O=C([O-])c1cn(CC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)nn1 ZINC000833121172 601197659 /nfs/dbraw/zinc/19/76/59/601197659.db2.gz BGFHSJNJYNFYHW-JTQLQIEISA-N -1 0 320.309 -0.010 20 0 DBADRM CCNC(=O)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000035133773 601208466 /nfs/dbraw/zinc/20/84/66/601208466.db2.gz XHSJLDJQRSQBAE-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM COC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000013076502 601213296 /nfs/dbraw/zinc/21/32/96/601213296.db2.gz VKAZZAQHXNPTMP-UHFFFAOYSA-N -1 0 303.292 -0.155 20 0 DBADRM CC(=O)N1C[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])Oc2ccccc21 ZINC000825828875 601215738 /nfs/dbraw/zinc/21/57/38/601215738.db2.gz PSKUXXWCLARKPN-CABZTGNLSA-N -1 0 308.290 -0.638 20 0 DBADRM CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](CO)C(=O)[O-] ZINC000037450972 601215828 /nfs/dbraw/zinc/21/58/28/601215828.db2.gz QQRJTLNBIGLEBY-VIFPVBQESA-N -1 0 301.320 -0.345 20 0 DBADRM Cc1oc(S(=O)(=O)N2CCNC(=O)[C@H]2C)cc1C(=O)[O-] ZINC000833028538 601221179 /nfs/dbraw/zinc/22/11/79/601221179.db2.gz SSOCACYXUGXKGC-ZCFIWIBFSA-N -1 0 302.308 -0.205 20 0 DBADRM CC(C)C(=O)N1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000088769349 601253034 /nfs/dbraw/zinc/25/30/34/601253034.db2.gz NIOBYFFWEGTJQT-UHFFFAOYSA-N -1 0 321.399 -0.562 20 0 DBADRM CN(C)C(=O)C1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000088769487 601253037 /nfs/dbraw/zinc/25/30/37/601253037.db2.gz CJVACANWPVGFLX-UHFFFAOYSA-N -1 0 321.399 -0.562 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CCCC(=O)[O-])C[C@@H]1N1CCOCC1 ZINC000828470672 601258588 /nfs/dbraw/zinc/25/85/88/601258588.db2.gz IGGDIRQGAZLZPX-RYUDHWBXSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CCCC(=O)[O-])C[C@@H]1N1CCOCC1 ZINC000828470669 601258592 /nfs/dbraw/zinc/25/85/92/601258592.db2.gz IGGDIRQGAZLZPX-NEPJUHHUSA-N -1 0 320.411 -0.167 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000831155359 601258813 /nfs/dbraw/zinc/25/88/13/601258813.db2.gz KSZAHLJCRXADFA-SECBINFHSA-N -1 0 322.383 -0.089 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ncc(Cl)n1C ZINC000393494628 601259127 /nfs/dbraw/zinc/25/91/27/601259127.db2.gz IWVXGFURXZQOQK-UHFFFAOYSA-N -1 0 310.763 -0.186 20 0 DBADRM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000826727051 601259249 /nfs/dbraw/zinc/25/92/49/601259249.db2.gz HLILXPBTTUTRMF-JTQLQIEISA-N -1 0 307.372 -0.906 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])CC2 ZINC000833006603 601259549 /nfs/dbraw/zinc/25/95/49/601259549.db2.gz GKBBJHQSNJGVIA-VIFPVBQESA-N -1 0 317.371 -0.858 20 0 DBADRM COC(=O)CSCCNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000831185252 601260389 /nfs/dbraw/zinc/26/03/89/601260389.db2.gz QRDKPHHIOXCRAG-UHFFFAOYSA-N -1 0 314.385 -0.867 20 0 DBADRM COC(=O)[C@H]1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000133021994 601263710 /nfs/dbraw/zinc/26/37/10/601263710.db2.gz KULGRHWUPVUHAK-VIFPVBQESA-N -1 0 308.356 -0.477 20 0 DBADRM CCC(CC)(NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)OC ZINC000828849044 601263989 /nfs/dbraw/zinc/26/39/89/601263989.db2.gz GGJXZSKSBREYDO-UHFFFAOYSA-N -1 0 310.372 -0.041 20 0 DBADRM CCC(CC)(NS(=O)(=O)N(C)CCC(=O)OC)C(=O)[O-] ZINC000828849021 601264009 /nfs/dbraw/zinc/26/40/09/601264009.db2.gz FKPXSQHTLCMZFI-UHFFFAOYSA-N -1 0 310.372 -0.041 20 0 DBADRM Cc1ncc2c(n1)CC[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C2 ZINC000833009314 601274918 /nfs/dbraw/zinc/27/49/18/601274918.db2.gz IYXOZXBYSQIZLM-JTQLQIEISA-N -1 0 316.321 -0.252 20 0 DBADRM CC(C)(C)C(=O)N1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000826130455 601275308 /nfs/dbraw/zinc/27/53/08/601275308.db2.gz KUMAFQSUVFZRIX-UHFFFAOYSA-N -1 0 323.353 -0.307 20 0 DBADRM C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)N1CCCCC1 ZINC000388776057 601277501 /nfs/dbraw/zinc/27/75/01/601277501.db2.gz MHCOODYXUSQTSF-VIFPVBQESA-N -1 0 309.326 -0.507 20 0 DBADRM COC(=O)CN(C)C(=O)C(C)(C)CCC(=O)N(C)CC(=O)[O-] ZINC000831164944 601279057 /nfs/dbraw/zinc/27/90/57/601279057.db2.gz VXOXIMFZZAZJFV-UHFFFAOYSA-N -1 0 316.354 -0.033 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCCNc2ncccn2)nn1 ZINC000833120837 601279836 /nfs/dbraw/zinc/27/98/36/601279836.db2.gz QOBLDFSLVIISJR-UHFFFAOYSA-N -1 0 305.298 -0.615 20 0 DBADRM C[C@@](NC(=O)Cn1cc(C(=O)[O-])nn1)(C(N)=O)c1ccccc1 ZINC000827637318 601280005 /nfs/dbraw/zinc/28/00/05/601280005.db2.gz RUYUSAWFGSQBGJ-AWEZNQCLSA-N -1 0 317.305 -0.507 20 0 DBADRM COC(=O)c1cn(CC(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)nn1 ZINC000831462251 601280697 /nfs/dbraw/zinc/28/06/97/601280697.db2.gz WSDUMIGGBJYETQ-MRVPVSSYSA-N -1 0 310.310 -0.224 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)c1ccnc(C(=O)[O-])c1 ZINC000826980624 601281106 /nfs/dbraw/zinc/28/11/06/601281106.db2.gz SOJJRBJNAUZQCD-UHFFFAOYSA-N -1 0 315.351 -0.163 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)CC2 ZINC000833006126 601281322 /nfs/dbraw/zinc/28/13/22/601281322.db2.gz BTAQIEZXSPXHSO-MRVPVSSYSA-N -1 0 305.298 -0.993 20 0 DBADRM C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)N1CCCC[C@@H]1C ZINC000827635663 601285541 /nfs/dbraw/zinc/28/55/41/601285541.db2.gz GVVWVKKJSZYNAH-VHSXEESVSA-N -1 0 323.353 -0.118 20 0 DBADRM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000830542965 601286456 /nfs/dbraw/zinc/28/64/56/601286456.db2.gz RUCULRLKEXQWFT-VHSXEESVSA-N -1 0 323.353 -0.261 20 0 DBADRM COC(=O)c1cn(CC(=O)N[C@@H](C(=O)[O-])c2ccccn2)nn1 ZINC000831461962 601290583 /nfs/dbraw/zinc/29/05/83/601290583.db2.gz KXASBKSCBAZESS-LLVKDONJSA-N -1 0 319.277 -0.598 20 0 DBADRM Cc1cccc(NCCNC(=O)Cn2cc(C(=O)[O-])nn2)n1 ZINC000832971362 601290739 /nfs/dbraw/zinc/29/07/39/601290739.db2.gz XEBLZIYIBSHLIY-UHFFFAOYSA-N -1 0 304.310 -0.092 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CC1SC(=N)NC1=O ZINC000831549358 601293073 /nfs/dbraw/zinc/29/30/73/601293073.db2.gz WXNRYSVQVYQSQM-KGFZYKRKSA-N -1 0 303.340 -0.461 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CC1SC(=N)NC1=O ZINC000831549359 601293170 /nfs/dbraw/zinc/29/31/70/601293170.db2.gz WXNRYSVQVYQSQM-KSBSHMNSSA-N -1 0 303.340 -0.461 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000831544876 601296819 /nfs/dbraw/zinc/29/68/19/601296819.db2.gz JZRPDLMYTXCZDL-OTYXRUKQSA-N -1 0 324.337 -0.241 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000831544875 601296967 /nfs/dbraw/zinc/29/69/67/601296967.db2.gz JZRPDLMYTXCZDL-LKFCYVNXSA-N -1 0 324.337 -0.241 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)Cn1cnc2c1ncnc2N ZINC000831554108 601300219 /nfs/dbraw/zinc/30/02/19/601300219.db2.gz XORNVTSXJPKWMJ-ZDUSSCGKSA-N -1 0 322.325 -0.596 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000831025608 601308161 /nfs/dbraw/zinc/30/81/61/601308161.db2.gz UXXKQCPARGNFRB-ZETCQYMHSA-N -1 0 306.365 -0.071 20 0 DBADRM CNS(=O)(=O)CC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000831025598 601308169 /nfs/dbraw/zinc/30/81/69/601308169.db2.gz USVYEFRGPNTCMB-UHFFFAOYSA-N -1 0 304.324 -0.206 20 0 DBADRM CN(C)c1nc(N)nc(CN(CC(=O)[O-])C2CCOCC2)n1 ZINC000830647152 601322111 /nfs/dbraw/zinc/32/21/11/601322111.db2.gz NADMDGQBDJJXLE-UHFFFAOYSA-N -1 0 310.358 -0.415 20 0 DBADRM NC(=O)c1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)nc1 ZINC000262561379 601329177 /nfs/dbraw/zinc/32/91/77/601329177.db2.gz ZTGWLLKGSXMEQD-UHFFFAOYSA-N -1 0 307.306 -0.066 20 0 DBADRM CNS(=O)(=O)CC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000831025536 601340779 /nfs/dbraw/zinc/34/07/79/601340779.db2.gz RQVWQLNEXCTOAS-SNVBAGLBSA-N -1 0 314.319 -0.586 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000831025631 601341445 /nfs/dbraw/zinc/34/14/45/601341445.db2.gz VHLFKAQIOQZYFF-JTQLQIEISA-N -1 0 322.289 -0.244 20 0 DBADRM CNS(=O)(=O)CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000831024592 601341684 /nfs/dbraw/zinc/34/16/84/601341684.db2.gz HGEIVWPXEYZKKA-LLVKDONJSA-N -1 0 300.336 -0.180 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)NCC2(CO)CC2)c1 ZINC000833261244 601342516 /nfs/dbraw/zinc/34/25/16/601342516.db2.gz KMTGICNAVJJMOK-UHFFFAOYSA-N -1 0 322.317 -0.023 20 0 DBADRM O=C([O-])c1cc(Cl)cc(NC(=O)C(=O)NC(CO)CO)c1 ZINC000833154116 601346841 /nfs/dbraw/zinc/34/68/41/601346841.db2.gz SGAPXCUASFXARK-UHFFFAOYSA-N -1 0 316.697 -0.554 20 0 DBADRM O=C([O-])CCc1ccc(NC(=O)C(=O)NC(CO)CO)cc1 ZINC000833238145 601347107 /nfs/dbraw/zinc/34/71/07/601347107.db2.gz GOAANLPAFNYDDI-UHFFFAOYSA-N -1 0 310.306 -0.888 20 0 DBADRM CC(C)[C@H]1NC(=O)N(CC(=O)N2CCC(C(=O)[O-])CC2)C1=O ZINC000826741480 601347470 /nfs/dbraw/zinc/34/74/70/601347470.db2.gz DQPGRIWHBCKDPF-LLVKDONJSA-N -1 0 311.338 -0.114 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N[C@H]2CCCNC2=O)cc1 ZINC000833153946 601349875 /nfs/dbraw/zinc/34/98/75/601349875.db2.gz HZDFQPYTOUHWER-JTQLQIEISA-N -1 0 305.290 -0.282 20 0 DBADRM C[C@@H](CCO)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000827417696 601364774 /nfs/dbraw/zinc/36/47/74/601364774.db2.gz NTRUPEYKFIFLNF-VIFPVBQESA-N -1 0 310.306 -0.024 20 0 DBADRM COC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000831650232 601365288 /nfs/dbraw/zinc/36/52/88/601365288.db2.gz IDHIIAIOSPSBJY-LLVKDONJSA-N -1 0 310.306 -0.163 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000827398301 601366108 /nfs/dbraw/zinc/36/61/08/601366108.db2.gz WCFXFOJMSXLQKY-ZCFIWIBFSA-N -1 0 311.269 -0.158 20 0 DBADRM COC(=O)CCCNC(=S)N1CCO[C@H](CC(=O)[O-])C1 ZINC000831152607 601368008 /nfs/dbraw/zinc/36/80/08/601368008.db2.gz ZLEBQLSDMDMSIA-SECBINFHSA-N -1 0 304.368 -0.010 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CN2CCO[C@@H](CC(=O)[O-])C2)C1=O ZINC000828089366 601373879 /nfs/dbraw/zinc/37/38/79/601373879.db2.gz VVUGPEQEKRUHLM-HZMBPMFUSA-N -1 0 311.338 -0.160 20 0 DBADRM CO[C@H](C)c1noc(CN(C)[C@@H](C)C(=O)NCC(=O)[O-])n1 ZINC000831505929 601380557 /nfs/dbraw/zinc/38/05/57/601380557.db2.gz WASRGUDKWZQBOT-JGVFFNPUSA-N -1 0 300.315 -0.202 20 0 DBADRM COC(=O)C[C@H](NC(=O)CNC(=O)c1ccsc1)C(=O)[O-] ZINC000831129498 601384529 /nfs/dbraw/zinc/38/45/29/601384529.db2.gz XULILFISDUAOSV-QMMMGPOBSA-N -1 0 314.319 -0.390 20 0 DBADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1C[C@@H](O)[C@@H](O)C1 ZINC000826009371 601388563 /nfs/dbraw/zinc/38/85/63/601388563.db2.gz XGSHZWNHGMGIRV-WQAKAFBOSA-N -1 0 308.334 -0.573 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C1CC1 ZINC000831078451 601389498 /nfs/dbraw/zinc/38/94/98/601389498.db2.gz LRPMBRLNTGIDJO-JTQLQIEISA-N -1 0 316.335 -0.047 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1CC1 ZINC000831079479 601389586 /nfs/dbraw/zinc/38/95/86/601389586.db2.gz VLOISPLIHXMFSQ-SNVBAGLBSA-N -1 0 320.367 -0.431 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)CC1CCOCC1 ZINC000831174984 601391455 /nfs/dbraw/zinc/39/14/55/601391455.db2.gz FDWRPWIMMFSSBM-UHFFFAOYSA-N -1 0 309.340 -0.698 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000833086422 601392030 /nfs/dbraw/zinc/39/20/30/601392030.db2.gz LHAUKAZOESNBCP-GFCCVEGCSA-N -1 0 316.310 -0.027 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1Cl ZINC000833057573 601397638 /nfs/dbraw/zinc/39/76/38/601397638.db2.gz FCJMPOFHRKNNLC-ZETCQYMHSA-N -1 0 323.758 -0.062 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000048445725 601400549 /nfs/dbraw/zinc/40/05/49/601400549.db2.gz GCLQUXCAKKGINY-SSDOTTSWSA-N -1 0 316.335 -0.194 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)o1 ZINC000091753442 601401489 /nfs/dbraw/zinc/40/14/89/601401489.db2.gz ASYGPFJEOKVWKT-SSDOTTSWSA-N -1 0 315.307 -0.624 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)c[nH]1 ZINC000091753381 601401606 /nfs/dbraw/zinc/40/16/06/601401606.db2.gz PPNDUXTWOPKLNH-ZETCQYMHSA-N -1 0 314.323 -0.889 20 0 DBADRM C[C@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])c1cnn(C)c1 ZINC000825977608 601402827 /nfs/dbraw/zinc/40/28/27/601402827.db2.gz KLFAUKAQISAGDX-LBPRGKRZSA-N -1 0 324.381 -0.231 20 0 DBADRM CCCCC[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000829339100 601403119 /nfs/dbraw/zinc/40/31/19/601403119.db2.gz CUJAOAUOCKLQCL-SECBINFHSA-N -1 0 315.413 -0.016 20 0 DBADRM O=Cc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])[nH]1 ZINC000833358712 601403124 /nfs/dbraw/zinc/40/31/24/601403124.db2.gz HDKIXTLRYFQEMX-UHFFFAOYSA-N -1 0 309.322 -0.314 20 0 DBADRM C/C(=C/COC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC000825774760 601409514 /nfs/dbraw/zinc/40/95/14/601409514.db2.gz HINSHXDFMFOHJS-CLTKARDFSA-N -1 0 302.308 -0.140 20 0 DBADRM NC(=O)c1ccc(CNC(=O)NCCSCC(=O)[O-])o1 ZINC000833085509 601415996 /nfs/dbraw/zinc/41/59/96/601415996.db2.gz QQIUCJWTSPDIAF-UHFFFAOYSA-N -1 0 301.324 -0.005 20 0 DBADRM O=C(CN1CCO[C@H](CO)C1)NC1(C(=O)[O-])CCCCC1 ZINC000833107914 601426603 /nfs/dbraw/zinc/42/66/03/601426603.db2.gz IUTXEDHTBXDEJV-NSHDSACASA-N -1 0 300.355 -0.417 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)CN1CC[C@](F)(C(=O)[O-])C1 ZINC000829619012 601437020 /nfs/dbraw/zinc/43/70/20/601437020.db2.gz PCCGWXLPMLFYNT-CQSZACIVSA-N -1 0 317.361 -0.142 20 0 DBADRM Cn1cc(S(=O)(=O)NCCN2CC[C@](F)(C(=O)[O-])C2)cn1 ZINC000833053558 601437112 /nfs/dbraw/zinc/43/71/12/601437112.db2.gz WRSJGGZWEKDTIP-LLVKDONJSA-N -1 0 320.346 -0.803 20 0 DBADRM Cn1cc(S(=O)(=O)NCCN2CC[C@@](F)(C(=O)[O-])C2)cn1 ZINC000833053559 601437180 /nfs/dbraw/zinc/43/71/80/601437180.db2.gz WRSJGGZWEKDTIP-NSHDSACASA-N -1 0 320.346 -0.803 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000038022562 601438231 /nfs/dbraw/zinc/43/82/31/601438231.db2.gz PEEKQKUAJWVILH-UHFFFAOYSA-N -1 0 303.340 -0.391 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)[O-] ZINC000831128046 601439112 /nfs/dbraw/zinc/43/91/12/601439112.db2.gz BYPXPEUWRPHKJV-SNVBAGLBSA-N -1 0 324.289 -0.746 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000825983391 601439965 /nfs/dbraw/zinc/43/99/65/601439965.db2.gz XJNRFCNAKYPABR-GPCCPHFNSA-N -1 0 315.345 -0.403 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000826001777 601443206 /nfs/dbraw/zinc/44/32/06/601443206.db2.gz ZMIKBOMDJGGZLQ-LNLATYFQSA-N -1 0 322.358 -0.823 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000829513341 601444581 /nfs/dbraw/zinc/44/45/81/601444581.db2.gz KEZJREGCIPRAJY-ZDUSSCGKSA-N -1 0 303.334 -0.530 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(CC(=O)NCC(=O)N2CCCC2)C1 ZINC000833107562 601448651 /nfs/dbraw/zinc/44/86/51/601448651.db2.gz WOCZTJZSGBFSIO-CYBMUJFWSA-N -1 0 301.318 -0.776 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cn1cc2ccccc2n1 ZINC000833205962 601449445 /nfs/dbraw/zinc/44/94/45/601449445.db2.gz NCILCEUWGIKZSC-LBPRGKRZSA-N -1 0 316.317 -0.162 20 0 DBADRM O=C([O-])c1sccc1NC(=O)CN1C[C@H](O)C[C@H](O)C1 ZINC000833108828 601450198 /nfs/dbraw/zinc/45/01/98/601450198.db2.gz SPEYGCOZKLWLAP-OCAPTIKFSA-N -1 0 300.336 -0.188 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)CN1CCO[C@@H](CC(=O)[O-])C1 ZINC000830869750 601453318 /nfs/dbraw/zinc/45/33/18/601453318.db2.gz HENOCQKKCQLFKG-LBPRGKRZSA-N -1 0 310.354 -0.446 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCO[C@@H](CC(=O)[O-])C1 ZINC000829847463 601453412 /nfs/dbraw/zinc/45/34/12/601453412.db2.gz GBUDQYSSJYFIKT-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CCO[C@@H](CO)C1 ZINC000832915380 601455975 /nfs/dbraw/zinc/45/59/75/601455975.db2.gz YEWHGHIFMUQFCJ-LLVKDONJSA-N -1 0 322.317 -0.149 20 0 DBADRM O=C([O-])Nc1cccc(NC(=O)C(=O)N2CCO[C@@H](CO)C2)c1 ZINC000833291747 601456397 /nfs/dbraw/zinc/45/63/97/601456397.db2.gz QZANDJFASXSYIN-LLVKDONJSA-N -1 0 323.305 -0.065 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCO[C@@H](CO)C2)cc1 ZINC000833153807 601456407 /nfs/dbraw/zinc/45/64/07/601456407.db2.gz GKGARPRXEHMUQC-LLVKDONJSA-N -1 0 308.290 -0.457 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CCO[C@H](CC(=O)[O-])C1 ZINC000387465947 601458522 /nfs/dbraw/zinc/45/85/22/601458522.db2.gz UTMOTXBUULRWPH-LLVKDONJSA-N -1 0 315.370 -0.854 20 0 DBADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000767051549 601458825 /nfs/dbraw/zinc/45/88/25/601458825.db2.gz NDVOHEDXOIDODD-IDTUSYRASA-N -1 0 323.349 -0.143 20 0 DBADRM CC(C)NC(=O)NC(=O)[C@H](C)N1CCO[C@H](CC(=O)[O-])C1 ZINC000826976413 601460760 /nfs/dbraw/zinc/46/07/60/601460760.db2.gz WHMGNJPCHFLYMJ-VHSXEESVSA-N -1 0 301.343 -0.215 20 0 DBADRM CCN1CCN(CC(=O)N[C@](C)(CC)CC(=O)[O-])C(=O)C1=O ZINC000829776306 601467565 /nfs/dbraw/zinc/46/75/65/601467565.db2.gz LYFSYFHOGRICPL-CQSZACIVSA-N -1 0 313.354 -0.563 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818486226 601468549 /nfs/dbraw/zinc/46/85/49/601468549.db2.gz ODIKYCFXABNKFV-UHFFFAOYSA-N -1 0 321.333 -0.105 20 0 DBADRM CN1CCC[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1=O ZINC000830934783 601478439 /nfs/dbraw/zinc/47/84/39/601478439.db2.gz KZPULAQARRSCFI-SNVBAGLBSA-N -1 0 319.383 -0.762 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)c1 ZINC000833160570 601483283 /nfs/dbraw/zinc/48/32/83/601483283.db2.gz XDRPQWZYCBJGTO-PHIMTYICSA-N -1 0 308.290 -0.723 20 0 DBADRM O=C([O-])Nc1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)c1 ZINC000833287810 601483435 /nfs/dbraw/zinc/48/34/35/601483435.db2.gz ABTRVEUUBYTHDP-PHIMTYICSA-N -1 0 323.305 -0.331 20 0 DBADRM COc1ccncc1NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000832637514 601491010 /nfs/dbraw/zinc/49/10/10/601491010.db2.gz RYDYYNZUTYQZFD-SECBINFHSA-N -1 0 323.305 -0.269 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000831000619 601496583 /nfs/dbraw/zinc/49/65/83/601496583.db2.gz JKOJGDIOGIHNGM-MRVPVSSYSA-N -1 0 307.306 -0.118 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCCNC(=O)C2CC2)CC1 ZINC000833202471 601505927 /nfs/dbraw/zinc/50/59/27/601505927.db2.gz FNTIBWPBAUNPRM-UHFFFAOYSA-N -1 0 304.368 -0.313 20 0 DBADRM CN1CCC[C@@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)C1=O ZINC000830935396 601520255 /nfs/dbraw/zinc/52/02/55/601520255.db2.gz YGUOZNVEILSZIU-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@@H](CC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000767077358 601520346 /nfs/dbraw/zinc/52/03/46/601520346.db2.gz PGLVJSGVPHDEGR-QRGHLMKCSA-N -1 0 321.333 -0.533 20 0 DBADRM Cc1oc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000262839339 601559073 /nfs/dbraw/zinc/55/90/73/601559073.db2.gz TTYIIVKCOMMIHT-NSHDSACASA-N -1 0 320.298 -0.126 20 0 DBADRM C[C@H](CN(Cn1nnc2c(cnn2C)c1=O)C1CC1)C(=O)[O-] ZINC000827454553 601559193 /nfs/dbraw/zinc/55/91/93/601559193.db2.gz CLAFOVJHCVPDQK-MRVPVSSYSA-N -1 0 306.326 -0.332 20 0 DBADRM NC(=O)c1ccccc1NC(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC000316810420 601559302 /nfs/dbraw/zinc/55/93/02/601559302.db2.gz SZNSNEHVGIBIPW-LLVKDONJSA-N -1 0 307.306 -0.491 20 0 DBADRM O=C([O-])c1ncn(CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)n1 ZINC000833344727 601560454 /nfs/dbraw/zinc/56/04/54/601560454.db2.gz HGTXZUMMDDZPTG-ZJUUUORDSA-N -1 0 314.367 -0.025 20 0 DBADRM C[C@@H](CC(N)=O)Nc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000136152631 601561453 /nfs/dbraw/zinc/56/14/53/601561453.db2.gz TZPWSBFETGRRHF-LURJTMIESA-N -1 0 301.324 -0.292 20 0 DBADRM O=C([O-])[C@@H]1COCCN1CC(=O)N1CCC2(CC1)OCCO2 ZINC000833193199 601562547 /nfs/dbraw/zinc/56/25/47/601562547.db2.gz XCSLWTULYNBJFR-NSHDSACASA-N -1 0 314.338 -0.863 20 0 DBADRM Cc1nc(C(=O)N[C@H](CC(=O)[O-])C2CC2)nn1-c1nc[nH]n1 ZINC000832994741 601563843 /nfs/dbraw/zinc/56/38/43/601563843.db2.gz LZMYLMLRIMEXGP-MRVPVSSYSA-N -1 0 305.298 -0.323 20 0 DBADRM O=C([O-])C1CCN(C(=O)Cn2cc(Cl)c(=O)[nH]c2=O)CC1 ZINC000091329392 601576703 /nfs/dbraw/zinc/57/67/03/601576703.db2.gz BHJLQYCBAGYKQM-UHFFFAOYSA-N -1 0 315.713 -0.487 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN2C(=O)NC[C@H]2C1 ZINC000825977641 601578847 /nfs/dbraw/zinc/57/88/47/601578847.db2.gz LIPSQYPNEXILKF-JQWIXIFHSA-N -1 0 324.381 -0.593 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000825977640 601579047 /nfs/dbraw/zinc/57/90/47/601579047.db2.gz LIPSQYPNEXILKF-CMPLNLGQSA-N -1 0 324.381 -0.593 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c(C)n1 ZINC000818898872 601579681 /nfs/dbraw/zinc/57/96/81/601579681.db2.gz NFAJWNQXPZAQEF-NSHDSACASA-N -1 0 307.306 -0.051 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2CNC(=O)C3)c[nH]1 ZINC000833354564 601580846 /nfs/dbraw/zinc/58/08/46/601580846.db2.gz JRZMMEKDANSHLL-SFYZADRCSA-N -1 0 313.335 -0.246 20 0 DBADRM C[C@]1([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)NC(=O)NC1=O ZINC000828088228 601583323 /nfs/dbraw/zinc/58/33/23/601583323.db2.gz HLPUNGJZCYVIMJ-RBTHTUONSA-N -1 0 309.322 -0.456 20 0 DBADRM C[C@]1([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)NC(=O)NC1=O ZINC000828088226 601583446 /nfs/dbraw/zinc/58/34/46/601583446.db2.gz HLPUNGJZCYVIMJ-FJBRNLEUSA-N -1 0 309.322 -0.456 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000828471775 601587780 /nfs/dbraw/zinc/58/77/80/601587780.db2.gz OBRVEQOOLJKVJQ-BDAKNGLRSA-N -1 0 313.397 -0.597 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N(C)C2CCOCC2)C[C@H]1C(=O)[O-] ZINC000828471850 601589384 /nfs/dbraw/zinc/58/93/84/601589384.db2.gz OSBHZMRQUBVCQS-MWLCHTKSSA-N -1 0 306.384 -0.006 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](CN2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000225317478 601593796 /nfs/dbraw/zinc/59/37/96/601593796.db2.gz ZTKUQHFGZIMPBR-WDEREUQCSA-N -1 0 306.384 -0.557 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000831170585 601594002 /nfs/dbraw/zinc/59/40/02/601594002.db2.gz RJDUICTUOKIHJP-JTQLQIEISA-N -1 0 322.383 -0.782 20 0 DBADRM NS(=O)(=O)CCN1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000833087796 601596320 /nfs/dbraw/zinc/59/63/20/601596320.db2.gz HBFUURWZEYEESS-UHFFFAOYSA-N -1 0 317.367 -0.616 20 0 DBADRM O=C(CN1CCS(=O)(=O)CC1)NCC1(C(=O)[O-])CCCC1 ZINC000833109079 601600298 /nfs/dbraw/zinc/60/02/98/601600298.db2.gz FSAASCAMRBZABR-UHFFFAOYSA-N -1 0 318.395 -0.522 20 0 DBADRM C/C(=C/COC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000825764878 601604222 /nfs/dbraw/zinc/60/42/22/601604222.db2.gz JWYQGLLKGLAFNF-BAQGIRSFSA-N -1 0 317.323 -0.728 20 0 DBADRM Cn1nnnc1SCCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000833064193 601606268 /nfs/dbraw/zinc/60/62/68/601606268.db2.gz PLCNLFAVEHMFEJ-ZETCQYMHSA-N -1 0 301.328 -0.996 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CSc1nnnn1C1CC1 ZINC000088376229 601607632 /nfs/dbraw/zinc/60/76/32/601607632.db2.gz QMKPWSWZXHNSLJ-MRVPVSSYSA-N -1 0 313.339 -0.588 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)N2CCOC[C@@H]2C(=O)[O-])C1=O ZINC000316542252 601607992 /nfs/dbraw/zinc/60/79/92/601607992.db2.gz CNADZPWNPKMIAM-AMIZOPFISA-N -1 0 313.310 -0.981 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000776574236 601613232 /nfs/dbraw/zinc/61/32/32/601613232.db2.gz OOMGIHTULKFKLQ-VIFPVBQESA-N -1 0 308.356 -0.431 20 0 DBADRM C[C@H](CNC(=O)Nc1ccn(CCS(C)(=O)=O)n1)C(=O)[O-] ZINC000827492417 601627074 /nfs/dbraw/zinc/62/70/74/601627074.db2.gz AUJPJDLMKMOLAI-MRVPVSSYSA-N -1 0 318.355 -0.230 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)N[C@H](CC(=O)[O-])C2CC2)n1 ZINC000830557302 601627245 /nfs/dbraw/zinc/62/72/45/601627245.db2.gz UDRFNTZWGCLAHY-SECBINFHSA-N -1 0 324.341 -0.259 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1=O ZINC000833055805 601630000 /nfs/dbraw/zinc/63/00/00/601630000.db2.gz KCTYXBASTADGHG-ZDUSSCGKSA-N -1 0 311.269 -0.651 20 0 DBADRM COC[C@@](C)(O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000831638159 601630449 /nfs/dbraw/zinc/63/04/49/601630449.db2.gz TXWNUHCHMLIRTO-OAHLLOKOSA-N -1 0 324.333 -0.234 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N(CC(=O)[O-])C2CC2)C1=O ZINC000828082578 601634848 /nfs/dbraw/zinc/63/48/48/601634848.db2.gz RIWGMGCADOUMAQ-AWEZNQCLSA-N -1 0 309.322 -0.218 20 0 DBADRM CC1(C)NC(=O)N(CCCS(=O)(=O)CCCC(=O)[O-])C1=O ZINC000828082805 601639589 /nfs/dbraw/zinc/63/95/89/601639589.db2.gz UADJGMQSYOCYBD-UHFFFAOYSA-N -1 0 320.367 -0.014 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000767213229 601660535 /nfs/dbraw/zinc/66/05/35/601660535.db2.gz CXOZLHTUVNQIMT-KCJUWKMLSA-N -1 0 308.331 -0.564 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000262729847 601662198 /nfs/dbraw/zinc/66/21/98/601662198.db2.gz HXZVEHPPLJDXGC-ZDUSSCGKSA-N -1 0 308.269 -0.479 20 0 DBADRM CC[C@@H](NC(=O)CCSCC(=O)[O-])C(=O)N1CCOCC1 ZINC000828933164 601665040 /nfs/dbraw/zinc/66/50/40/601665040.db2.gz PCIMPRKNLPUWEC-SNVBAGLBSA-N -1 0 318.395 -0.052 20 0 DBADRM CN(CCCNC(=O)NCC(C)(C)C(=O)[O-])S(C)(=O)=O ZINC000692447696 601667131 /nfs/dbraw/zinc/66/71/31/601667131.db2.gz HKHUNHROMLKPGY-UHFFFAOYSA-N -1 0 309.388 -0.322 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000827928574 601667715 /nfs/dbraw/zinc/66/77/15/601667715.db2.gz JDFPRXZVQITXLN-BDAKNGLRSA-N -1 0 314.367 -0.002 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)CCCN2C(=O)CCC2=O)CCO1 ZINC000833216894 601670167 /nfs/dbraw/zinc/67/01/67/601670167.db2.gz WSGXAWXCUHFOJB-SNVBAGLBSA-N -1 0 312.322 -0.382 20 0 DBADRM COCCn1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)ccc1=O ZINC000831800557 601671458 /nfs/dbraw/zinc/67/14/58/601671458.db2.gz PBCQSFRYVKLPBF-GFCCVEGCSA-N -1 0 324.333 -0.190 20 0 DBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C[C@H]2C)CC1 ZINC000825841904 601671928 /nfs/dbraw/zinc/67/19/28/601671928.db2.gz XERSLXJKLMLJRU-RUZUBIRVSA-N -1 0 323.393 -0.282 20 0 DBADRM C[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C[C@H]1C(=O)[O-] ZINC000263203105 601695418 /nfs/dbraw/zinc/69/54/18/601695418.db2.gz MRBVARLMDPDBPS-FFTROKDMSA-N -1 0 323.349 -0.114 20 0 DBADRM COC[C@@](C)(NC(=O)c1cc(S(N)(=O)=O)c(C)o1)C(=O)[O-] ZINC000262055645 601697444 /nfs/dbraw/zinc/69/74/44/601697444.db2.gz GEZABOZOMYHXDP-LLVKDONJSA-N -1 0 320.323 -0.545 20 0 DBADRM COC[C@@](C)(NC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)[O-] ZINC000831608583 601698334 /nfs/dbraw/zinc/69/83/34/601698334.db2.gz VAXZTGWIKVYDPH-LLVKDONJSA-N -1 0 310.372 -0.690 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000223777623 601702213 /nfs/dbraw/zinc/70/22/13/601702213.db2.gz OFVMVDUDEABPHB-OUAUKWLOSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@@H]1C(=O)[O-] ZINC000111251069 601711407 /nfs/dbraw/zinc/71/14/07/601711407.db2.gz DGOHVYJVVYTJAY-ONGXEEELSA-N -1 0 318.395 -0.163 20 0 DBADRM CC(C)(CNC(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)[O-] ZINC000826559252 601711454 /nfs/dbraw/zinc/71/14/54/601711454.db2.gz LWASCTYMOCVSGB-UHFFFAOYSA-N -1 0 311.338 -0.018 20 0 DBADRM CN(CC(=O)N1CC[C@](F)(C(=O)[O-])C1)c1ncnc2nc[nH]c21 ZINC000830665739 601712690 /nfs/dbraw/zinc/71/26/90/601712690.db2.gz QZKCMHDXSWWCIP-CYBMUJFWSA-N -1 0 322.300 -0.186 20 0 DBADRM COC(=O)[C@@]1(F)CCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000831090222 601714866 /nfs/dbraw/zinc/71/48/66/601714866.db2.gz YFLUKXRPHLPWBV-LLVKDONJSA-N -1 0 300.246 -0.910 20 0 DBADRM C[C@@H]1CN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C(=O)[O-] ZINC000828326726 601718904 /nfs/dbraw/zinc/71/89/04/601718904.db2.gz UVEBGAZLCSMEQY-KGASVMDVSA-N -1 0 321.333 -0.724 20 0 DBADRM C[C@@H]1CN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C[C@H]1C(=O)[O-] ZINC000828326727 601719078 /nfs/dbraw/zinc/71/90/78/601719078.db2.gz UVEBGAZLCSMEQY-RDJHYZAGSA-N -1 0 321.333 -0.724 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(N2CCOCC2)nc1 ZINC000833192953 601720523 /nfs/dbraw/zinc/72/05/23/601720523.db2.gz HXHLYEBZZSINNV-LBPRGKRZSA-N -1 0 321.333 -0.156 20 0 DBADRM CN(C)C(=O)N1CCC(C(=O)N[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000316453309 601723716 /nfs/dbraw/zinc/72/37/16/601723716.db2.gz GJVXYIFLLVULME-AWEZNQCLSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])c1cn(CC(=O)NN2CC(=O)NC2=O)c2ccccc12 ZINC000833359111 601729096 /nfs/dbraw/zinc/72/90/96/601729096.db2.gz UIQOYHJHAPPNHW-UHFFFAOYSA-N -1 0 316.273 -0.078 20 0 DBADRM C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)OC1CCCC1 ZINC000832832432 601732515 /nfs/dbraw/zinc/73/25/15/601732515.db2.gz LOSCRROBJGQOMK-QMMMGPOBSA-N -1 0 310.310 -0.033 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC000262431313 601735785 /nfs/dbraw/zinc/73/57/85/601735785.db2.gz RYSZWZDPSXMVLF-UHFFFAOYSA-N -1 0 307.306 -0.291 20 0 DBADRM Cn1nnnc1SCCC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000833064997 601737472 /nfs/dbraw/zinc/73/74/72/601737472.db2.gz ZBJQPQQSQMJOSO-SNVBAGLBSA-N -1 0 301.328 -0.948 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000831025546 601738230 /nfs/dbraw/zinc/73/82/30/601738230.db2.gz SAPXIAFYDFKWNI-JTQLQIEISA-N -1 0 304.299 -0.383 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)S1 ZINC000833089517 601738616 /nfs/dbraw/zinc/73/86/16/601738616.db2.gz QLCGEWYPLWAWMV-RNFRBKRXSA-N -1 0 301.324 -0.755 20 0 DBADRM COc1cccc(OC)c1CC(=O)OCC(=O)NCC(=O)[O-] ZINC000832568061 601749506 /nfs/dbraw/zinc/74/95/06/601749506.db2.gz VMPLSXOPVOGNFJ-UHFFFAOYSA-N -1 0 311.290 -0.010 20 0 DBADRM CC[C@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)C(=O)[O-] ZINC000828921776 601750143 /nfs/dbraw/zinc/75/01/43/601750143.db2.gz ZPKYLYJASRRFPK-XVKPBYJWSA-N -1 0 313.335 -0.304 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)nn1 ZINC000833083339 601753888 /nfs/dbraw/zinc/75/38/88/601753888.db2.gz UTCXUJDNTHGXIO-LLVKDONJSA-N -1 0 309.326 -0.473 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000833007267 601758204 /nfs/dbraw/zinc/75/82/04/601758204.db2.gz NPRHBOMIYZVFQU-NSHDSACASA-N -1 0 318.337 -0.155 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1C(=O)[O-] ZINC000422567875 601761129 /nfs/dbraw/zinc/76/11/29/601761129.db2.gz ANIROYLBOHVINF-FXPVBKGRSA-N -1 0 306.322 -0.058 20 0 DBADRM CC(C)(CNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1)C(=O)[O-] ZINC000826550537 601766098 /nfs/dbraw/zinc/76/60/98/601766098.db2.gz GZNVFSXYARMWFP-UHFFFAOYSA-N -1 0 321.333 -0.120 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)s1 ZINC000833089239 601766601 /nfs/dbraw/zinc/76/66/01/601766601.db2.gz YPTWDGUILHMKDM-JTQLQIEISA-N -1 0 320.348 -0.631 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCOC1 ZINC000833128373 601767917 /nfs/dbraw/zinc/76/79/17/601767917.db2.gz DLSRNFDPQSDFFP-AMIZOPFISA-N -1 0 308.294 -0.878 20 0 DBADRM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000829618774 601770966 /nfs/dbraw/zinc/77/09/66/601770966.db2.gz HKDCMISJAKAFBF-BDAKNGLRSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000828509166 601772980 /nfs/dbraw/zinc/77/29/80/601772980.db2.gz LRZVSAVNNISSRA-VXGBXAGGSA-N -1 0 315.370 -0.408 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NCCCN2CCOC2=O)CCO1 ZINC000833216655 601773274 /nfs/dbraw/zinc/77/32/74/601773274.db2.gz AZTUKUMAHHGUNE-JTQLQIEISA-N -1 0 315.326 -0.286 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)CC2 ZINC000833006092 601773350 /nfs/dbraw/zinc/77/33/50/601773350.db2.gz BFLWZRNMNIZXOX-MNOVXSKESA-N -1 0 323.353 -0.214 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[C@H]1C(=O)NC1CC1)C(=O)[O-] ZINC000827543219 601774182 /nfs/dbraw/zinc/77/41/82/601774182.db2.gz ZYJWMRXPVNYHON-WPRPVWTQSA-N -1 0 304.368 -0.220 20 0 DBADRM COCCN(CC(=O)N(C)C)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000831715678 601775422 /nfs/dbraw/zinc/77/54/22/601775422.db2.gz FIOUNMYNOGTYNV-SECBINFHSA-N -1 0 310.372 -0.927 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)N[C@H]2CCc3ncnn3C2)CCO1 ZINC000833215897 601777390 /nfs/dbraw/zinc/77/73/90/601777390.db2.gz ARMIAIZOFMJNJY-UWVGGRQHSA-N -1 0 309.326 -0.522 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NCc2nnnn2C2CC2)CCO1 ZINC000833217969 601779324 /nfs/dbraw/zinc/77/93/24/601779324.db2.gz LHWMTQJXJNUSPD-VIFPVBQESA-N -1 0 310.314 -0.607 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC000818638849 601780373 /nfs/dbraw/zinc/78/03/73/601780373.db2.gz LBSPVZGTBRSUMK-VIFPVBQESA-N -1 0 304.368 -0.073 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000818638803 601780394 /nfs/dbraw/zinc/78/03/94/601780394.db2.gz GHVSBLRDRBMKAE-SECBINFHSA-N -1 0 320.367 -0.694 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[C@H](N2CCNC2=O)C1)C(=O)[O-] ZINC000827540602 601781193 /nfs/dbraw/zinc/78/11/93/601781193.db2.gz FMLULGGPTGOGLE-UWVGGRQHSA-N -1 0 319.383 -0.474 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CCO1 ZINC000833217484 601781295 /nfs/dbraw/zinc/78/12/95/601781295.db2.gz OLGIDLULJWKJGK-MWLCHTKSSA-N -1 0 311.338 -0.365 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[O-] ZINC000827554084 601781762 /nfs/dbraw/zinc/78/17/62/601781762.db2.gz SNFVVORQTJWSPK-ONGXEEELSA-N -1 0 314.363 -0.277 20 0 DBADRM COC(=O)N1CCC[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC000831203169 601785934 /nfs/dbraw/zinc/78/59/34/601785934.db2.gz GCLCXRRROVGJJD-RKDXNWHRSA-N -1 0 308.356 -0.143 20 0 DBADRM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000829602439 601790876 /nfs/dbraw/zinc/79/08/76/601790876.db2.gz NROXBOISSOESET-BDAKNGLRSA-N -1 0 315.413 -0.208 20 0 DBADRM CCc1nc2n(n1)C[C@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])CC2 ZINC000830323231 601791987 /nfs/dbraw/zinc/79/19/87/601791987.db2.gz YBHPAGCIWFXCQI-DTWKUNHWSA-N -1 0 316.383 -0.205 20 0 DBADRM C[C@@H](CNS(=O)(=O)C[C@@H](C)C(=O)[O-])CN1CCOCC1 ZINC000827503476 601793472 /nfs/dbraw/zinc/79/34/72/601793472.db2.gz XINQUJQOIYNFDV-WDEREUQCSA-N -1 0 308.400 -0.405 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@@H](N2CCOCC2)C1)C(=O)[O-] ZINC000827542294 601795810 /nfs/dbraw/zinc/79/58/10/601795810.db2.gz SHZODOSYEMMZMN-GHMZBOCLSA-N -1 0 306.384 -0.557 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@@H](n2cncn2)C1)C(=O)[O-] ZINC000827542116 601796244 /nfs/dbraw/zinc/79/62/44/601796244.db2.gz SGTJDECTXSMVPM-NXEZZACHSA-N -1 0 302.356 -0.035 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)C[C@@H](C)C(=O)OC ZINC000831584946 601799280 /nfs/dbraw/zinc/79/92/80/601799280.db2.gz ISQQALNHVVVMFJ-LDYMZIIASA-N -1 0 311.356 -0.405 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000831058790 601799311 /nfs/dbraw/zinc/79/93/11/601799311.db2.gz AUWRKBAXAPTHBA-IUCAKERBSA-N -1 0 309.340 -0.699 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830987048 601849931 /nfs/dbraw/zinc/84/99/31/601849931.db2.gz DYHFOVNIQUVJPC-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM COCC(=O)N1CCN(C(=O)C2(NC(=O)[O-])CCCC2)CC1 ZINC000739802528 601859378 /nfs/dbraw/zinc/85/93/78/601859378.db2.gz BHDCMHZLBRVJQU-UHFFFAOYSA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N[C@H]2CCCNC2=O)cc1F ZINC000833154859 601863397 /nfs/dbraw/zinc/86/33/97/601863397.db2.gz QVMGUYGCSRCQCL-JTQLQIEISA-N -1 0 323.280 -0.143 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N[C@@H]2CCCNC2=O)cc1F ZINC000833154860 601863550 /nfs/dbraw/zinc/86/35/50/601863550.db2.gz QVMGUYGCSRCQCL-SNVBAGLBSA-N -1 0 323.280 -0.143 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000827398162 601863943 /nfs/dbraw/zinc/86/39/43/601863943.db2.gz SPIJAWFEVZCFSO-ZCFIWIBFSA-N -1 0 311.269 -0.158 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)Cn1nc(COC)oc1=O)C(=O)[O-] ZINC000828728489 601869202 /nfs/dbraw/zinc/86/92/02/601869202.db2.gz KSDRKUGKWGWLJS-XCBNKYQSSA-N -1 0 301.299 -0.402 20 0 DBADRM Cn1nnnc1SCCC(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000740304175 601876799 /nfs/dbraw/zinc/87/67/99/601876799.db2.gz JIHWOTLIRIMWTC-MRVPVSSYSA-N -1 0 314.371 -0.192 20 0 DBADRM COCc1nn(CN(CCC(=O)[O-])C2CCOCC2)c(=O)o1 ZINC000831831024 601882066 /nfs/dbraw/zinc/88/20/66/601882066.db2.gz DLSQBOFGLMDQBP-UHFFFAOYSA-N -1 0 315.326 -0.104 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)NCc2ccc(C(=O)[O-])o2)O1 ZINC000833081938 601897159 /nfs/dbraw/zinc/89/71/59/601897159.db2.gz KTAPYUQXSHENBI-APPZFPTMSA-N -1 0 311.294 -0.190 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)CC2 ZINC000818552513 601930013 /nfs/dbraw/zinc/93/00/13/601930013.db2.gz RLTWYJOYIZTIJQ-NXEZZACHSA-N -1 0 323.353 -0.145 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)[O-])CCO1 ZINC000740327219 601939471 /nfs/dbraw/zinc/93/94/71/601939471.db2.gz LAUGJOMBDXHPJO-RYUDHWBXSA-N -1 0 321.333 -0.422 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000737222551 601939794 /nfs/dbraw/zinc/93/97/94/601939794.db2.gz ASENEIWPECJLEB-VIFPVBQESA-N -1 0 309.388 -0.276 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000035390017 601944626 /nfs/dbraw/zinc/94/46/26/601944626.db2.gz RFTKIUSSIXDRCH-VIFPVBQESA-N -1 0 317.367 -0.098 20 0 DBADRM CN(CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000830669517 601945450 /nfs/dbraw/zinc/94/54/50/601945450.db2.gz FXJIWKMDSSOABJ-KOLCDFICSA-N -1 0 320.411 -0.279 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)NCCCN1CCCS1(=O)=O ZINC000739312267 601962571 /nfs/dbraw/zinc/96/25/71/601962571.db2.gz GLWOIUJWKVVHHA-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM COC(=O)[C@]1(C)CCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000831089500 601966422 /nfs/dbraw/zinc/96/64/22/601966422.db2.gz NBKWSMAZYPEVJP-LLVKDONJSA-N -1 0 308.356 -0.477 20 0 DBADRM C[C@H](NC(=O)CN1CCC[C@H](N(C)C(=O)[O-])C1)C(=O)N(C)C ZINC000738960990 601967175 /nfs/dbraw/zinc/96/71/75/601967175.db2.gz KAEJXOBUCNQCCX-QWRGUYRKSA-N -1 0 314.386 -0.347 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739764411 601971446 /nfs/dbraw/zinc/97/14/46/601971446.db2.gz YYQMCQBFHMLFCC-NXEZZACHSA-N -1 0 301.343 -0.262 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000739587285 601973527 /nfs/dbraw/zinc/97/35/27/601973527.db2.gz VITFPOHLPRIAIQ-JTQLQIEISA-N -1 0 310.354 -0.342 20 0 DBADRM CS(=O)(=O)NCCNC(=S)NCCN(C(=O)[O-])C1CC1 ZINC000739989584 601978859 /nfs/dbraw/zinc/97/88/59/601978859.db2.gz BUUOZBYMXAAVDV-UHFFFAOYSA-N -1 0 324.428 -0.858 20 0 DBADRM CCOCCS(=O)(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739492330 601982787 /nfs/dbraw/zinc/98/27/87/601982787.db2.gz FTMCPSSHYNFWHD-UHFFFAOYSA-N -1 0 309.388 -0.762 20 0 DBADRM O=C([O-])N(CCNC(=O)Cc1nc2ncccn2n1)C1CC1 ZINC000740386362 601983884 /nfs/dbraw/zinc/98/38/84/601983884.db2.gz BCQMMWVXLADPSO-UHFFFAOYSA-N -1 0 304.310 -0.075 20 0 DBADRM O=C([O-])N1CCN(CCNS(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000740526432 601984003 /nfs/dbraw/zinc/98/40/03/601984003.db2.gz FFTWNTRANQDIHE-LLVKDONJSA-N -1 0 321.399 -0.620 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCNC(=O)[O-] ZINC000739468223 601984016 /nfs/dbraw/zinc/98/40/16/601984016.db2.gz GHQXHFPRVFRQTM-MRVPVSSYSA-N -1 0 309.344 -0.884 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCN(C(=O)[O-])C1CC1 ZINC000739991207 601986655 /nfs/dbraw/zinc/98/66/55/601986655.db2.gz LGGJMLCHZBPPCK-SNVBAGLBSA-N -1 0 319.383 -0.331 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000830557622 601998004 /nfs/dbraw/zinc/99/80/04/601998004.db2.gz ZCTMZEOCSDIBSM-ZDUSSCGKSA-N -1 0 324.341 -0.305 20 0 DBADRM Cn1ccc(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)n1 ZINC000740288578 602003136 /nfs/dbraw/zinc/00/31/36/602003136.db2.gz AWRRPNZRPZDWFV-JTQLQIEISA-N -1 0 323.353 -0.344 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)N(CCN2CCOCC2)CC(=O)[O-])O1 ZINC000828207538 602006921 /nfs/dbraw/zinc/00/69/21/602006921.db2.gz MLWBETFKBREDLR-NEPJUHHUSA-N -1 0 300.355 -0.201 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)nn1 ZINC000830557026 602011566 /nfs/dbraw/zinc/01/15/66/602011566.db2.gz PMBZKIDRMYZFSV-ZDUSSCGKSA-N -1 0 309.326 -0.697 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000062913593 602013758 /nfs/dbraw/zinc/01/37/58/602013758.db2.gz GHNQEWPAROWQDS-ZDUSSCGKSA-N -1 0 318.395 -0.019 20 0 DBADRM CC(=O)N1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)[C@@H](C)C1 ZINC000825839254 602019749 /nfs/dbraw/zinc/01/97/49/602019749.db2.gz CHTREGQGGDEZHQ-NSHDSACASA-N -1 0 311.382 -0.138 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000823842263 602029008 /nfs/dbraw/zinc/02/90/08/602029008.db2.gz KMNOAMROIQNRLF-JOYOIKCWSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)NCCN(C(=O)[O-])C1CC1 ZINC000740355970 602029885 /nfs/dbraw/zinc/02/98/85/602029885.db2.gz YISGQUMSFFHSST-UHFFFAOYSA-N -1 0 313.354 -0.116 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN2C(=O)OC[C@@H]2C1)C(=O)[O-] ZINC000828715925 602030161 /nfs/dbraw/zinc/03/01/61/602030161.db2.gz DWPRKJGPNRVTNX-NHCYSSNCSA-N -1 0 313.354 -0.262 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000828016637 602032768 /nfs/dbraw/zinc/03/27/68/602032768.db2.gz KMRSMFGFYYVXIP-NSHDSACASA-N -1 0 302.308 -0.136 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000738992541 602033898 /nfs/dbraw/zinc/03/38/98/602033898.db2.gz AXIOAYJFCXCMSA-JTQLQIEISA-N -1 0 308.338 -0.145 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000738549895 602036112 /nfs/dbraw/zinc/03/61/12/602036112.db2.gz IKMQWIQVUVKXQE-UHFFFAOYSA-N -1 0 309.282 -0.638 20 0 DBADRM O=C([O-])NC[C@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000740642928 602054706 /nfs/dbraw/zinc/05/47/06/602054706.db2.gz UQTRGMDOUHNAKQ-BDAKNGLRSA-N -1 0 305.356 -0.527 20 0 DBADRM CN(CCCNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)S(C)(=O)=O ZINC000830772384 602060782 /nfs/dbraw/zinc/06/07/82/602060782.db2.gz JIGICGHUANDIKH-GFCCVEGCSA-N -1 0 321.399 -0.226 20 0 DBADRM CN(CCCNC(=O)N1CC[C@](C)(C(=O)[O-])C1)S(C)(=O)=O ZINC000830772390 602060987 /nfs/dbraw/zinc/06/09/87/602060987.db2.gz JIGICGHUANDIKH-LBPRGKRZSA-N -1 0 321.399 -0.226 20 0 DBADRM NC(=O)c1cc(NC(=O)CCCNC(=O)[O-])cc(C(N)=O)c1 ZINC000739177564 602062525 /nfs/dbraw/zinc/06/25/25/602062525.db2.gz OOXVVOQXHVECPX-UHFFFAOYSA-N -1 0 308.294 -0.129 20 0 DBADRM NC(=O)CSCC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000740331491 602068304 /nfs/dbraw/zinc/06/83/04/602068304.db2.gz OANKNZAMWYSZGR-UHFFFAOYSA-N -1 0 318.399 -0.993 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)NCCCN2C(=O)CNC2=O)C1 ZINC000827996014 602068387 /nfs/dbraw/zinc/06/83/87/602068387.db2.gz KTUMEIMBHZGFAA-ZDUSSCGKSA-N -1 0 312.326 -0.566 20 0 DBADRM COC[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C1CC1 ZINC000826151517 607542847 /nfs/dbraw/zinc/54/28/47/607542847.db2.gz CLOYWDAQZKZGNX-QMMMGPOBSA-N -1 0 321.341 -0.899 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CSCN1C(C)=O ZINC000829948544 602072840 /nfs/dbraw/zinc/07/28/40/602072840.db2.gz UTIXCLWHBQZWEF-ZJUUUORDSA-N -1 0 304.368 -0.144 20 0 DBADRM O=C([O-])N(CCNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000740436730 602074652 /nfs/dbraw/zinc/07/46/52/602074652.db2.gz JBTOBFLPNFQGHT-MRVPVSSYSA-N -1 0 305.356 -0.385 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)NCCNS(C)(=O)=O)C1 ZINC000739587595 602077864 /nfs/dbraw/zinc/07/78/64/602077864.db2.gz ZYBYDOBQGHKFOV-VIFPVBQESA-N -1 0 322.387 -0.681 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000827263051 602081091 /nfs/dbraw/zinc/08/10/91/602081091.db2.gz NPPJQVZLVLDGJO-WDEREUQCSA-N -1 0 311.382 -0.092 20 0 DBADRM COC(=O)C[C@@H](NC(=O)COc1c(C)nn(C)c1C)C(=O)[O-] ZINC000831128047 602083507 /nfs/dbraw/zinc/08/35/07/602083507.db2.gz CADQVZMTTQAROO-SECBINFHSA-N -1 0 313.310 -0.452 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739742369 602091835 /nfs/dbraw/zinc/09/18/35/602091835.db2.gz ZJQYKNAGQWLTIJ-UHFFFAOYSA-N -1 0 309.282 -0.686 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000833013468 602092531 /nfs/dbraw/zinc/09/25/31/602092531.db2.gz ARQZRECRQMEPTR-SNVBAGLBSA-N -1 0 324.337 -0.783 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000739226982 602110520 /nfs/dbraw/zinc/11/05/20/602110520.db2.gz CZGXQXSUXFAERE-NXEZZACHSA-N -1 0 321.399 -0.228 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737856497 602116811 /nfs/dbraw/zinc/11/68/11/602116811.db2.gz TUDJZBCWDTZBGX-SECBINFHSA-N -1 0 321.333 -0.107 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)NCCCNS(C)(=O)=O ZINC000739289038 602118056 /nfs/dbraw/zinc/11/80/56/602118056.db2.gz UDLVZCKCKTZWPF-LLVKDONJSA-N -1 0 309.388 -0.132 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N2CCNC(=O)C2)c1 ZINC000738620399 602120036 /nfs/dbraw/zinc/12/00/36/602120036.db2.gz OPQRXWLEAUICOG-UHFFFAOYSA-N -1 0 305.290 -0.789 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NCCn2cncn2)c1 ZINC000738620992 602129485 /nfs/dbraw/zinc/12/94/85/602129485.db2.gz JQXLDDXPCZJKLV-UHFFFAOYSA-N -1 0 317.305 -0.340 20 0 DBADRM CSCCNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740008332 602130357 /nfs/dbraw/zinc/13/03/57/602130357.db2.gz LWLCNSITWYISLA-UHFFFAOYSA-N -1 0 304.372 -0.529 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000830742846 602136245 /nfs/dbraw/zinc/13/62/45/602136245.db2.gz SBJDUNVWPNKEKS-VIFPVBQESA-N -1 0 302.356 -0.492 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000739238804 602143652 /nfs/dbraw/zinc/14/36/52/602143652.db2.gz NHRCVKILRWEMSM-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000739288642 602143723 /nfs/dbraw/zinc/14/37/23/602143723.db2.gz QZDNCMVTAIDHQU-GFCCVEGCSA-N -1 0 321.399 -0.036 20 0 DBADRM COCCN(C(=O)[C@H](C)CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000831710501 602149338 /nfs/dbraw/zinc/14/93/38/602149338.db2.gz YQCGBRVQCVGEAC-ZJUUUORDSA-N -1 0 307.368 -0.241 20 0 DBADRM O=C([O-])CNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000819521006 602153645 /nfs/dbraw/zinc/15/36/45/602153645.db2.gz BFQYHECCZQFJQQ-UHFFFAOYSA-N -1 0 321.337 -0.894 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000827293630 602155756 /nfs/dbraw/zinc/15/57/56/602155756.db2.gz ZZOHCUMXMIFHBL-SECBINFHSA-N -1 0 306.384 -0.067 20 0 DBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000739247984 602166560 /nfs/dbraw/zinc/16/65/60/602166560.db2.gz ZQONGJHJMFUYLQ-LLVKDONJSA-N -1 0 314.386 -0.345 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000827261755 602166845 /nfs/dbraw/zinc/16/68/45/602166845.db2.gz BEMPJCITVKBTQK-SNVBAGLBSA-N -1 0 318.337 -0.116 20 0 DBADRM CCNC(=O)N1CC[C@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC000829794681 602168893 /nfs/dbraw/zinc/16/88/93/602168893.db2.gz KJYSRGSBFJWZFQ-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000827318574 602170906 /nfs/dbraw/zinc/17/09/06/602170906.db2.gz YZDZEEHNOOVYSO-JTQLQIEISA-N -1 0 324.337 -0.209 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000827248202 602177657 /nfs/dbraw/zinc/17/76/57/602177657.db2.gz VQUCKOKRQZKYSY-RMLUDKJBSA-N -1 0 311.338 -0.066 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000827292083 602183687 /nfs/dbraw/zinc/18/36/87/602183687.db2.gz OXGDOLRTUIQSAD-ITMYJUKJSA-N -1 0 311.338 -0.066 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000827292084 602183838 /nfs/dbraw/zinc/18/38/38/602183838.db2.gz OXGDOLRTUIQSAD-NUPCCRGMSA-N -1 0 311.338 -0.066 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000740369413 602188153 /nfs/dbraw/zinc/18/81/53/602188153.db2.gz XTPSOGQFIANPEE-SNVBAGLBSA-N -1 0 324.337 -0.425 20 0 DBADRM CCN(CCCNC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)[O-] ZINC000739418468 602188283 /nfs/dbraw/zinc/18/82/83/602188283.db2.gz SZRHBZKAPTXXLH-UHFFFAOYSA-N -1 0 312.326 -0.567 20 0 DBADRM O=C([O-])NCC1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000740627890 602188303 /nfs/dbraw/zinc/18/83/03/602188303.db2.gz CSEJGQKLODPAEW-UHFFFAOYSA-N -1 0 324.337 -0.567 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000827246574 602190287 /nfs/dbraw/zinc/19/02/87/602190287.db2.gz BAAFFTYRGCGENR-GHMZBOCLSA-N -1 0 320.411 -0.326 20 0 DBADRM CN(CC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)C(=O)[O-] ZINC000739620132 602192914 /nfs/dbraw/zinc/19/29/14/602192914.db2.gz OTATVOQUGGDHDK-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CN1CCO[C@@H]2CN(C(=O)NC3CCN(C(=O)[O-])CC3)C[C@@H]21 ZINC000830964637 602196127 /nfs/dbraw/zinc/19/61/27/602196127.db2.gz LPCVXLCMDABTRC-NWDGAFQWSA-N -1 0 312.370 -0.147 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)NCCSCC(=O)[O-])C1 ZINC000829794259 602205556 /nfs/dbraw/zinc/20/55/56/602205556.db2.gz DCFGFCHJOBKQJK-SECBINFHSA-N -1 0 318.399 -0.093 20 0 DBADRM C[C@@H](OC(=O)CN(C)C(=O)[O-])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000739040716 602206076 /nfs/dbraw/zinc/20/60/76/602206076.db2.gz FPIICMDPKODYLZ-BDAKNGLRSA-N -1 0 315.326 -0.748 20 0 DBADRM CCCN(C)S(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000829457642 602207432 /nfs/dbraw/zinc/20/74/32/602207432.db2.gz CYTZGGRYBSIPJM-UHFFFAOYSA-N -1 0 323.415 -0.708 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)NCCn2ncnn2)cc1 ZINC000380173822 602210623 /nfs/dbraw/zinc/21/06/23/602210623.db2.gz NOFVUGOHSZKURH-UHFFFAOYSA-N -1 0 311.323 -0.721 20 0 DBADRM CN(CC(=O)OCC(=O)NC(=O)NCc1ccco1)C(=O)[O-] ZINC000739631290 602211306 /nfs/dbraw/zinc/21/13/06/602211306.db2.gz REDQWONKXUDXBI-UHFFFAOYSA-N -1 0 313.266 -0.242 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)OCCN1C(=O)CNC1=O ZINC000739298848 602218631 /nfs/dbraw/zinc/21/86/31/602218631.db2.gz UMOZSPASLSJHLX-LBPRGKRZSA-N -1 0 301.299 -0.092 20 0 DBADRM CN(C)C(=O)CNc1ncnc(NCC(=O)N(C)C)c1C(=O)[O-] ZINC000830551551 602239217 /nfs/dbraw/zinc/23/92/17/602239217.db2.gz BBABQQXIXVPDSZ-UHFFFAOYSA-N -1 0 324.341 -0.825 20 0 DBADRM C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)C(=O)[O-] ZINC000738952883 602253661 /nfs/dbraw/zinc/25/36/61/602253661.db2.gz BSODFZXUUVGVNU-HQJQHLMTSA-N -1 0 322.296 -0.165 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1CC1CCN(C(=O)[O-])CC1 ZINC000739764132 602256965 /nfs/dbraw/zinc/25/69/65/602256965.db2.gz SJYFGSNZEMXRRN-LLVKDONJSA-N -1 0 313.354 -0.260 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)OCC(=O)NCCC(=O)[O-] ZINC000833014378 602268688 /nfs/dbraw/zinc/26/86/88/602268688.db2.gz NQAPFACXEQEWNQ-UHFFFAOYSA-N -1 0 313.310 -0.450 20 0 DBADRM O=C(Cn1ccc(=O)[nH]c1=O)NCCCN(C(=O)[O-])C1CC1 ZINC000740389893 602270604 /nfs/dbraw/zinc/27/06/04/602270604.db2.gz YTADOTOIJIBXSK-UHFFFAOYSA-N -1 0 310.310 -0.402 20 0 DBADRM C[C@@H](OC(=O)[C@@H](C)CC(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC000827324584 602271625 /nfs/dbraw/zinc/27/16/25/602271625.db2.gz IMJAVUVDYAIGJH-DTWKUNHWSA-N -1 0 314.338 -0.234 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)OCCNS(=O)(=O)c1cnn(C)c1 ZINC000827342604 602278076 /nfs/dbraw/zinc/27/80/76/602278076.db2.gz XBMKBVFEXHDBHE-MRVPVSSYSA-N -1 0 319.339 -0.648 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739635955 602286829 /nfs/dbraw/zinc/28/68/29/602286829.db2.gz VWOBDEQOIKUINJ-UHFFFAOYSA-N -1 0 320.305 -0.391 20 0 DBADRM CN(CCNC(=O)CCn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000739691153 602297537 /nfs/dbraw/zinc/29/75/37/602297537.db2.gz FLQNOKZKZCLVGH-UHFFFAOYSA-N -1 0 319.321 -0.092 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000818213662 602298255 /nfs/dbraw/zinc/29/82/55/602298255.db2.gz OSNXLRZCWQQZQU-NXEZZACHSA-N -1 0 314.342 -0.715 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](CCSC)NC(=O)[O-])CCO1 ZINC000739755763 602302878 /nfs/dbraw/zinc/30/28/78/602302878.db2.gz MIUSCGLXJHDFOO-BDAKNGLRSA-N -1 0 320.367 -0.224 20 0 DBADRM O=C([O-])N1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000738643390 602304371 /nfs/dbraw/zinc/30/43/71/602304371.db2.gz KFYTWMXZFOKCNF-UHFFFAOYSA-N -1 0 310.310 -0.861 20 0 DBADRM CCN(CCNC(=O)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000739423201 602313605 /nfs/dbraw/zinc/31/36/05/602313605.db2.gz DSUGMUHMXWOZGR-UHFFFAOYSA-N -1 0 307.372 -0.472 20 0 DBADRM CN(CCCS(C)(=O)=O)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739685449 602314859 /nfs/dbraw/zinc/31/48/59/602314859.db2.gz SOOGADLGENIMIY-UHFFFAOYSA-N -1 0 321.399 -0.825 20 0 DBADRM O=C([O-])NCCNC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000740663356 602320487 /nfs/dbraw/zinc/32/04/87/602320487.db2.gz NZYAJJLUPDHYQM-LLVKDONJSA-N -1 0 300.359 -0.240 20 0 DBADRM O=C([O-])NCCNC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000740663406 602320629 /nfs/dbraw/zinc/32/06/29/602320629.db2.gz PIAFSJXNNJSOLH-SNVBAGLBSA-N -1 0 314.342 -0.713 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N1CCC[C@H](NC(=O)[O-])C1 ZINC000738139328 602322237 /nfs/dbraw/zinc/32/22/37/602322237.db2.gz QIPSDTZDYGVYQY-QMMMGPOBSA-N -1 0 324.428 -0.858 20 0 DBADRM NC(=O)CNC(=S)NCc1ccc(CCNC(=O)[O-])cc1 ZINC000740335199 602323180 /nfs/dbraw/zinc/32/31/80/602323180.db2.gz ZOUXKHWZZLQHKZ-UHFFFAOYSA-N -1 0 310.379 -0.054 20 0 DBADRM CN(CC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C(=O)[O-] ZINC000739620489 602325160 /nfs/dbraw/zinc/32/51/60/602325160.db2.gz HUQUZSVXHFETDB-UHFFFAOYSA-N -1 0 321.337 -0.561 20 0 DBADRM COc1ccnc(N2CCN(C(=O)CN(C)C(=O)[O-])CC2)n1 ZINC000739986614 602325572 /nfs/dbraw/zinc/32/55/72/602325572.db2.gz WSTFAHBRMCKNAX-UHFFFAOYSA-N -1 0 309.326 -0.256 20 0 DBADRM CCOC(=O)CN1CCCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000739469920 602326083 /nfs/dbraw/zinc/32/60/83/602326083.db2.gz GIJBBUNGWNJEBI-UHFFFAOYSA-N -1 0 301.343 -0.306 20 0 DBADRM CN(CC(=O)Nc1ccc(C(=O)NCC(N)=O)cc1)C(=O)[O-] ZINC000739628365 602326432 /nfs/dbraw/zinc/32/64/32/602326432.db2.gz ZBMPYITVRXTGIT-UHFFFAOYSA-N -1 0 308.294 -0.550 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCCN(C)C(=O)[O-])CCO1 ZINC000739764990 602331008 /nfs/dbraw/zinc/33/10/08/602331008.db2.gz UKQKZRZIDPZVTA-SECBINFHSA-N -1 0 303.315 -0.430 20 0 DBADRM Cn1ccnc1CNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000740297957 602332208 /nfs/dbraw/zinc/33/22/08/602332208.db2.gz ZNASHULMQNGIDU-UHFFFAOYSA-N -1 0 324.385 -0.095 20 0 DBADRM CN(CC(=O)NCCCNC(=O)[O-])c1ncnc2nc[nH]c21 ZINC000739624322 602345551 /nfs/dbraw/zinc/34/55/51/602345551.db2.gz VHWKXORKKBDMGO-UHFFFAOYSA-N -1 0 307.314 -0.437 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCCCNC(=O)[O-])o1 ZINC000739751318 602346657 /nfs/dbraw/zinc/34/66/57/602346657.db2.gz AZQHSNYDNJKDJF-UHFFFAOYSA-N -1 0 305.312 -0.425 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 ZINC000827240933 602347084 /nfs/dbraw/zinc/34/70/84/602347084.db2.gz PGYRWLXERPADPN-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)NCCCNC(=O)[O-])C1=O ZINC000739074170 602348382 /nfs/dbraw/zinc/34/83/82/602348382.db2.gz JBVXOGMYLOVQCR-CYBMUJFWSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@H]1CCSC1 ZINC000833248409 602362659 /nfs/dbraw/zinc/36/26/59/602362659.db2.gz QAMNGFXTUWAZKN-NSHDSACASA-N -1 0 302.396 -0.015 20 0 DBADRM CN(C(=O)NCCCC(=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000818363452 602384335 /nfs/dbraw/zinc/38/43/35/602384335.db2.gz FYLSCVVXAODRAG-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC ZINC000739307764 602386383 /nfs/dbraw/zinc/38/63/83/602386383.db2.gz AYUKGQFQHIAZPK-BDAKNGLRSA-N -1 0 315.326 -0.687 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCCNC(=O)[O-] ZINC000739468216 602388918 /nfs/dbraw/zinc/38/89/18/602388918.db2.gz GEDSXZBAMARYIJ-VIFPVBQESA-N -1 0 323.371 -0.494 20 0 DBADRM CN(CC1CCN(S(=O)(=O)N2CCOCC2)CC1)C(=O)[O-] ZINC000739663734 602390864 /nfs/dbraw/zinc/39/08/64/602390864.db2.gz IKJIEUGROJOANC-UHFFFAOYSA-N -1 0 321.399 -0.115 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)NCCCNC(=O)[O-])C1 ZINC000739990565 602394184 /nfs/dbraw/zinc/39/41/84/602394184.db2.gz HMKWVYFSPQEPLL-VIFPVBQESA-N -1 0 322.387 -0.633 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000739524696 602394681 /nfs/dbraw/zinc/39/46/81/602394681.db2.gz PUUPGYVIKSTCQL-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000739524698 602394708 /nfs/dbraw/zinc/39/47/08/602394708.db2.gz PUUPGYVIKSTCQL-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@@H](O)c2ccc(F)cc2)nn1 ZINC000833122081 602397563 /nfs/dbraw/zinc/39/75/63/602397563.db2.gz SPMSTARUOKOWIU-LLVKDONJSA-N -1 0 308.269 -0.035 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@H](O)c2ccc(F)cc2)nn1 ZINC000833122084 602397754 /nfs/dbraw/zinc/39/77/54/602397754.db2.gz SPMSTARUOKOWIU-NSHDSACASA-N -1 0 308.269 -0.035 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000825875599 602401818 /nfs/dbraw/zinc/40/18/18/602401818.db2.gz FFRGCYIBAMCGIH-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM COCC(=O)NC1CCN(C(=O)NCCCNC(=O)[O-])CC1 ZINC000739807200 602404112 /nfs/dbraw/zinc/40/41/12/602404112.db2.gz YBFSWOJXUIIKOD-UHFFFAOYSA-N -1 0 316.358 -0.419 20 0 DBADRM CS(=O)(=O)NCCC(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000739993616 602412578 /nfs/dbraw/zinc/41/25/78/602412578.db2.gz DHUUIZUMAMZCNG-VIFPVBQESA-N -1 0 307.372 -0.568 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)c1=O ZINC000740274994 602412642 /nfs/dbraw/zinc/41/26/42/602412642.db2.gz GCZZAZOLIYATFA-JTQLQIEISA-N -1 0 324.337 -0.947 20 0 DBADRM O=C(CC[C@H]1NC(=O)NC1=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000740352860 602416966 /nfs/dbraw/zinc/41/69/66/602416966.db2.gz DLOULHVQVWYQLJ-DTWKUNHWSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C(Cn1ccc(=O)[nH]c1=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000740389172 602418331 /nfs/dbraw/zinc/41/83/31/602418331.db2.gz RUUUJXIZVFICLP-SECBINFHSA-N -1 0 310.310 -0.545 20 0 DBADRM CN1CC(=O)N(CC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000739723266 602419291 /nfs/dbraw/zinc/41/92/91/602419291.db2.gz KUHLPCBHYYPDPY-VIFPVBQESA-N -1 0 312.326 -0.613 20 0 DBADRM CCN(C(=O)NCCCNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739379233 602422708 /nfs/dbraw/zinc/42/27/08/602422708.db2.gz AORROWDTZYOGKP-SECBINFHSA-N -1 0 307.372 -0.137 20 0 DBADRM C[C@@H](NC(=O)[O-])C1CCN(CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000739016271 602424481 /nfs/dbraw/zinc/42/44/81/602424481.db2.gz SEANOCQNSXPNRL-MRVPVSSYSA-N -1 0 312.326 -0.267 20 0 DBADRM C[C@H](NC(=O)[O-])C1CCN(CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000739016272 602424502 /nfs/dbraw/zinc/42/45/02/602424502.db2.gz SEANOCQNSXPNRL-QMMMGPOBSA-N -1 0 312.326 -0.267 20 0 DBADRM CS(=O)(=O)CCNC(=S)N1CCCN(C(=O)[O-])CC1 ZINC000738127766 602430212 /nfs/dbraw/zinc/43/02/12/602430212.db2.gz VUXFSTQPPSDKFP-UHFFFAOYSA-N -1 0 309.413 -0.409 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000738614627 602433725 /nfs/dbraw/zinc/43/37/25/602433725.db2.gz MNQNFGSYDHNEEX-GXSJLCMTSA-N -1 0 312.370 -0.559 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000740341164 602438516 /nfs/dbraw/zinc/43/85/16/602438516.db2.gz KDRGADMSIXAHKB-ZJUUUORDSA-N -1 0 319.383 -0.344 20 0 DBADRM O=C([O-])NCC1(NC(=O)Cn2ccc(=O)[nH]c2=O)CCCC1 ZINC000740616367 602443692 /nfs/dbraw/zinc/44/36/92/602443692.db2.gz XSIQFAAQIXDJPJ-UHFFFAOYSA-N -1 0 310.310 -0.355 20 0 DBADRM CN(CCNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC000739691043 602444203 /nfs/dbraw/zinc/44/42/03/602444203.db2.gz GFJFQEIPNLWYFB-SECBINFHSA-N -1 0 322.387 -0.681 20 0 DBADRM O=C([O-])NC[C@@H]1CCCCN1C(=O)CN1CCC(=O)NC1=O ZINC000740626280 602451102 /nfs/dbraw/zinc/45/11/02/602451102.db2.gz YHPZUKIDJMDSBP-VIFPVBQESA-N -1 0 312.326 -0.423 20 0 DBADRM C[C@@H](NC(=O)[O-])C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000739017080 602454518 /nfs/dbraw/zinc/45/45/18/602454518.db2.gz NNQHBKVHGLVBJO-SNVBAGLBSA-N -1 0 321.399 -0.069 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000740342791 602458586 /nfs/dbraw/zinc/45/85/86/602458586.db2.gz WJBWVPZYNLFPIV-QMMMGPOBSA-N -1 0 319.325 -0.475 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000740369122 602461140 /nfs/dbraw/zinc/46/11/40/602461140.db2.gz PAUUAPLBIWQLNJ-SECBINFHSA-N -1 0 312.326 -0.423 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740370804 602461891 /nfs/dbraw/zinc/46/18/91/602461891.db2.gz ZBYMVKZRCPIRKB-VIFPVBQESA-N -1 0 312.326 -0.566 20 0 DBADRM NS(=O)(=O)CCCNC(=O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000740342437 602463154 /nfs/dbraw/zinc/46/31/54/602463154.db2.gz OKEHCQBAXISHPA-SNVBAGLBSA-N -1 0 315.351 -0.210 20 0 DBADRM Cn1nnnc1SCCC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740303423 602469069 /nfs/dbraw/zinc/46/90/69/602469069.db2.gz JLHGLBAEMZCINM-ZETCQYMHSA-N -1 0 300.344 -0.439 20 0 DBADRM CCN(CCNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-] ZINC000739433646 602471948 /nfs/dbraw/zinc/47/19/48/602471948.db2.gz GJSGYFPKFNGTCA-UHFFFAOYSA-N -1 0 320.305 -0.054 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740357459 602472737 /nfs/dbraw/zinc/47/27/37/602472737.db2.gz WAQPKZKMHVCQOJ-VIFPVBQESA-N -1 0 305.356 -0.720 20 0 DBADRM COC1(C(=O)N2CCS(=O)(=O)CC2)CCN(C(=O)[O-])CC1 ZINC000739799662 602473613 /nfs/dbraw/zinc/47/36/13/602473613.db2.gz SWUPVTNAJYMQCO-UHFFFAOYSA-N -1 0 320.367 -0.598 20 0 DBADRM CN(C[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000739655138 602480268 /nfs/dbraw/zinc/48/02/68/602480268.db2.gz ZAXJPQGSWHBWTH-ZJUUUORDSA-N -1 0 304.368 -0.121 20 0 DBADRM COCCn1cc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)ccc1=O ZINC000739840730 602480352 /nfs/dbraw/zinc/48/03/52/602480352.db2.gz RAVMYSNICJAYRS-LLVKDONJSA-N -1 0 309.322 -0.023 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1)N1C(=O)CCC1=O ZINC000738618570 602484344 /nfs/dbraw/zinc/48/43/44/602484344.db2.gz UCKPODOILDRCEC-UWVGGRQHSA-N -1 0 311.338 -0.018 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1)C(=O)[O-] ZINC000739644477 602486257 /nfs/dbraw/zinc/48/62/57/602486257.db2.gz MXGAEILNLSQJIR-JTQLQIEISA-N -1 0 319.383 -0.520 20 0 DBADRM CCNC(=O)CCC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739463177 602493025 /nfs/dbraw/zinc/49/30/25/602493025.db2.gz QQLCBGVSUHOZCD-UHFFFAOYSA-N -1 0 300.359 -0.686 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@H]2CCCCN2C(=O)[O-])CC1 ZINC000739805632 602501464 /nfs/dbraw/zinc/50/14/64/602501464.db2.gz OYHGPDXHURUEBQ-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM C[C@@](CNC(=O)[O-])(NC(=O)CC[C@H]1NC(=O)NC1=O)C1CC1 ZINC000738926679 602505696 /nfs/dbraw/zinc/50/56/96/602505696.db2.gz QZQIGCQHRUOPRL-OQPBUACISA-N -1 0 312.326 -0.473 20 0 DBADRM C[C@](CNC(=O)[O-])(NC(=O)CC[C@@H]1NC(=O)NC1=O)C1CC1 ZINC000738926678 602505887 /nfs/dbraw/zinc/50/58/87/602505887.db2.gz QZQIGCQHRUOPRL-ISVAXAHUSA-N -1 0 312.326 -0.473 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)C1=O ZINC000739723393 602507218 /nfs/dbraw/zinc/50/72/18/602507218.db2.gz LVPCMRKWRKHLKQ-ZDUSSCGKSA-N -1 0 312.326 -0.567 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@H]3CCCCN3C(=O)[O-])C2)C1=O ZINC000739723830 602510108 /nfs/dbraw/zinc/51/01/08/602510108.db2.gz OAGDHMJIAJPNRI-OTYXRUKQSA-N -1 0 324.337 -0.328 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(=O)[O-])C2)C1=O ZINC000739723834 602510145 /nfs/dbraw/zinc/51/01/45/602510145.db2.gz OAGDHMJIAJPNRI-XPTSAGLGSA-N -1 0 324.337 -0.328 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000737554124 602517962 /nfs/dbraw/zinc/51/79/62/602517962.db2.gz WSLOWCLXIWRMJB-SNVBAGLBSA-N -1 0 321.399 -0.181 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000738854634 602524130 /nfs/dbraw/zinc/52/41/30/602524130.db2.gz FGQBHZUOBSEHFQ-SNVBAGLBSA-N -1 0 302.375 -0.443 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)CS(=O)(=O)NC(C)(C)C ZINC000738928958 602524924 /nfs/dbraw/zinc/52/49/24/602524924.db2.gz JNTSVWWTZQNQSW-QMMMGPOBSA-N -1 0 309.388 -0.181 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000738936165 602525453 /nfs/dbraw/zinc/52/54/53/602525453.db2.gz ZOBHFPWYTWGERG-LURJTMIESA-N -1 0 305.312 -0.345 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)CCNS(C)(=O)=O)CC1 ZINC000737930310 602526619 /nfs/dbraw/zinc/52/66/19/602526619.db2.gz PCDLSHGUHRVMPF-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000739725625 602532839 /nfs/dbraw/zinc/53/28/39/602532839.db2.gz ZOSFTJCVVZNMLG-SECBINFHSA-N -1 0 312.326 -0.471 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)[O-])C1)n1cccn1 ZINC000738599239 602535947 /nfs/dbraw/zinc/53/59/47/602535947.db2.gz DROLGXJIFHCSIE-QWRGUYRKSA-N -1 0 323.353 -0.229 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)N1CCC(N(C)C(=O)[O-])CC1 ZINC000738035701 602536118 /nfs/dbraw/zinc/53/61/18/602536118.db2.gz PWTHRMZFLGBEPL-SECBINFHSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737696718 602547736 /nfs/dbraw/zinc/54/77/36/602547736.db2.gz VAYSPRMJHDMQPZ-MRVPVSSYSA-N -1 0 307.372 -0.475 20 0 DBADRM CN(C[C@H]1CCN(S(=O)(=O)N2CCOCC2)C1)C(=O)[O-] ZINC000739664757 602549387 /nfs/dbraw/zinc/54/93/87/602549387.db2.gz NYEXJBSAFIONOU-SNVBAGLBSA-N -1 0 307.372 -0.505 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)S(=O)(=O)N1CCCC1 ZINC000739687756 602549911 /nfs/dbraw/zinc/54/99/11/602549911.db2.gz PSKSJBPBUGONCQ-UHFFFAOYSA-N -1 0 320.415 -0.446 20 0 DBADRM CCN(CC)S(=O)(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739409644 602551368 /nfs/dbraw/zinc/55/13/68/602551368.db2.gz AVDXDGAZVRSVAM-UHFFFAOYSA-N -1 0 322.431 -0.200 20 0 DBADRM O=C([O-])N1CCCC[C@H]1C(=O)OCC(=O)N1CCOCC1 ZINC000740718992 602555832 /nfs/dbraw/zinc/55/58/32/602555832.db2.gz BZAVZDUAXPYYDL-JTQLQIEISA-N -1 0 300.311 -0.079 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000739763315 602556290 /nfs/dbraw/zinc/55/62/90/602556290.db2.gz VKJOWVZQNNAJST-VIFPVBQESA-N -1 0 316.310 -0.259 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)CN(C)[C@@H](C)CNC(=O)[O-])C1 ZINC000738544276 602556449 /nfs/dbraw/zinc/55/64/49/602556449.db2.gz YEUGKHBQWURRPH-JQWIXIFHSA-N -1 0 314.386 -0.299 20 0 DBADRM COCCN(C)S(=O)(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000739815084 602563738 /nfs/dbraw/zinc/56/37/38/602563738.db2.gz YPESMLQFSQLIJW-UHFFFAOYSA-N -1 0 309.388 -0.211 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000739196143 602566601 /nfs/dbraw/zinc/56/66/01/602566601.db2.gz VFEYCSTWZXCBMA-BBBLOLIVSA-N -1 0 309.388 -0.072 20 0 DBADRM COCCCN(C(=O)CN(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739811725 602569938 /nfs/dbraw/zinc/56/99/38/602569938.db2.gz WERGFLQTRQLAQP-SNVBAGLBSA-N -1 0 322.383 -0.352 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739041209 602574467 /nfs/dbraw/zinc/57/44/67/602574467.db2.gz ZZYMTPYVQAIDQC-RKDXNWHRSA-N -1 0 307.372 -0.618 20 0 DBADRM COC(=O)CSCCNC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739766681 602580119 /nfs/dbraw/zinc/58/01/19/602580119.db2.gz YPYYTONRGSPMME-QMMMGPOBSA-N -1 0 305.356 -0.056 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNC(=O)Cn1nc2ccccn2c1=O ZINC000740388161 602586539 /nfs/dbraw/zinc/58/65/39/602586539.db2.gz JGTCTXNLVJSLJV-JTQLQIEISA-N -1 0 319.321 -0.245 20 0 DBADRM COCCN1C[C@@H](C(=O)NC[C@H]2CCCN2C(=O)[O-])CC1=O ZINC000739828819 602588511 /nfs/dbraw/zinc/58/85/11/602588511.db2.gz LPVVYVRRFITGQL-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)[C@H](O)c2cccnc2)CC1 ZINC000740403499 602589260 /nfs/dbraw/zinc/58/92/60/602589260.db2.gz CEFLWZUSUOXRSH-GFCCVEGCSA-N -1 0 322.321 -0.947 20 0 DBADRM CN(C[C@H]1CCN(C(=O)NCCS(C)(=O)=O)C1)C(=O)[O-] ZINC000739649144 602596557 /nfs/dbraw/zinc/59/65/57/602596557.db2.gz JDNJMIASDJTBOC-SECBINFHSA-N -1 0 307.372 -0.328 20 0 DBADRM CCS(=O)(=O)CCNC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000739514750 602600612 /nfs/dbraw/zinc/60/06/12/602600612.db2.gz JJCZBUQMHXVLAW-SECBINFHSA-N -1 0 307.372 -0.137 20 0 DBADRM CN1CCO[C@@H](CNC(=O)NC[C@@H]2CCCN2C(=O)[O-])C1 ZINC000739742108 602600644 /nfs/dbraw/zinc/60/06/44/602600644.db2.gz ICFXRGLAMHBZOT-QWRGUYRKSA-N -1 0 300.359 -0.241 20 0 DBADRM CN1CCO[C@@H](CNC(=O)NC[C@H]2CCCN2C(=O)[O-])C1 ZINC000739742106 602600701 /nfs/dbraw/zinc/60/07/01/602600701.db2.gz ICFXRGLAMHBZOT-MNOVXSKESA-N -1 0 300.359 -0.241 20 0 DBADRM COCCCNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739807063 602608988 /nfs/dbraw/zinc/60/89/88/602608988.db2.gz IENITIXJZNSCOL-UHFFFAOYSA-N -1 0 302.375 -0.040 20 0 DBADRM CN(C[C@H]1CCN(C(=O)NCCNS(C)(=O)=O)C1)C(=O)[O-] ZINC000739651095 602614518 /nfs/dbraw/zinc/61/45/18/602614518.db2.gz SFBBJFYVFSXFGT-SECBINFHSA-N -1 0 322.387 -0.823 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNC(=O)NCC1(O)CCOCC1 ZINC000740414787 602617376 /nfs/dbraw/zinc/61/73/76/602617376.db2.gz DQIJQXBXPDLDIG-JTQLQIEISA-N -1 0 301.343 -0.031 20 0 DBADRM CC[C@](C)(O)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739218704 602625885 /nfs/dbraw/zinc/62/58/85/602625885.db2.gz LNXALDFCOUEKHQ-ZDUSSCGKSA-N -1 0 302.375 -0.258 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)NCCCNC(=O)[O-] ZINC000739621818 602628126 /nfs/dbraw/zinc/62/81/26/602628126.db2.gz PIGDFHZQDZOIFC-UHFFFAOYSA-N -1 0 302.331 -0.856 20 0 DBADRM O=C([O-])NCCCNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000740650262 602628395 /nfs/dbraw/zinc/62/83/95/602628395.db2.gz SESMHBXVCFTKKF-NSHDSACASA-N -1 0 311.342 -0.049 20 0 DBADRM CCN(C(=O)N[C@H]1CCN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000739383545 602633676 /nfs/dbraw/zinc/63/36/76/602633676.db2.gz XCMDUPSIRHFEQX-UWVGGRQHSA-N -1 0 319.383 -0.043 20 0 DBADRM CNS(=O)(=O)c1ccc(N2CCN(C(=O)[O-])CC2)nc1 ZINC000737556941 602641145 /nfs/dbraw/zinc/64/11/45/602641145.db2.gz FMGZTAUENGJUOH-UHFFFAOYSA-N -1 0 300.340 -0.210 20 0 DBADRM COCCOCC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739835723 602641386 /nfs/dbraw/zinc/64/13/86/602641386.db2.gz ZUHPAYSEQFDWJE-UHFFFAOYSA-N -1 0 303.359 -0.597 20 0 DBADRM COc1ncccc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739986405 602649307 /nfs/dbraw/zinc/64/93/07/602649307.db2.gz XOWQZBBFTHBFTC-MRVPVSSYSA-N -1 0 308.294 -0.103 20 0 DBADRM O=C([O-])NC1(C(=O)OCC(=O)N2CCNC(=O)C2)CCCC1 ZINC000740544018 602652781 /nfs/dbraw/zinc/65/27/81/602652781.db2.gz CSRGFESMWMCOMT-UHFFFAOYSA-N -1 0 313.310 -0.932 20 0 DBADRM CN(CCOC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000738003772 602659006 /nfs/dbraw/zinc/65/90/06/602659006.db2.gz ZZQSJOGLLADWRB-SNAWJCMRSA-N -1 0 311.294 -0.750 20 0 DBADRM COCC(=O)NC1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000739802540 602661230 /nfs/dbraw/zinc/66/12/30/602661230.db2.gz BKMPIMGYWPJRBS-UHFFFAOYSA-N -1 0 317.342 -0.976 20 0 DBADRM CN(CCOC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000738002036 602662013 /nfs/dbraw/zinc/66/20/13/602662013.db2.gz LYQIQVVQYWKQKN-UHFFFAOYSA-N -1 0 309.282 -0.717 20 0 DBADRM COC(=O)N1CCC(NC(=O)COCCNC(=O)[O-])CC1 ZINC000739769675 602662871 /nfs/dbraw/zinc/66/28/71/602662871.db2.gz HOCQULJZDBSIIR-UHFFFAOYSA-N -1 0 303.315 -0.382 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)COCCNC(=O)[O-])C1 ZINC000739776864 602664701 /nfs/dbraw/zinc/66/47/01/602664701.db2.gz QSWHKPKFGCATQT-SECBINFHSA-N -1 0 303.315 -0.382 20 0 DBADRM O=C([O-])NCCOCC(=O)NCC1N=NC(=S)N1C1CC1 ZINC000740664401 602666219 /nfs/dbraw/zinc/66/62/19/602666219.db2.gz AJMREFXWJJGUHY-UHFFFAOYSA-N -1 0 315.355 -0.198 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NCCCN1C(=O)CCC1=O ZINC000740427810 602675317 /nfs/dbraw/zinc/67/53/17/602675317.db2.gz BRVSCDOTRFSARY-QMMMGPOBSA-N -1 0 315.351 -0.305 20 0 DBADRM CN(CCNC(=O)NCCCN1C(=O)CCC1=O)C(=O)[O-] ZINC000739695057 602679118 /nfs/dbraw/zinc/67/91/18/602679118.db2.gz RSYMVLIASGLJJI-UHFFFAOYSA-N -1 0 300.315 -0.566 20 0 DBADRM Cn1cc(/C=C/C(=O)O[C@@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740286084 602681588 /nfs/dbraw/zinc/68/15/88/602681588.db2.gz BKSYBVPVJCSEGW-HMDXOVGESA-N -1 0 323.305 -0.607 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000738453535 602684119 /nfs/dbraw/zinc/68/41/19/602684119.db2.gz MJCKUWDJCHHZMD-UHFFFAOYSA-N -1 0 319.325 -0.333 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000739219556 602689840 /nfs/dbraw/zinc/68/98/40/602689840.db2.gz AAICRPSHQDIIDY-DJLDLDEBSA-N -1 0 307.372 -0.442 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cn1ncn2nccc2c1=O ZINC000739150813 602704594 /nfs/dbraw/zinc/70/45/94/602704594.db2.gz COIMOPZADWODHR-VIFPVBQESA-N -1 0 320.309 -0.898 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=S)NCCN1CCOCC1 ZINC000739159289 602713229 /nfs/dbraw/zinc/71/32/29/602713229.db2.gz GGIAPYUTCLVCCF-LLVKDONJSA-N -1 0 316.427 -0.123 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNC(=O)Cn1ncn2nccc2c1=O ZINC000740390173 602713508 /nfs/dbraw/zinc/71/35/08/602713508.db2.gz JSEHMOXQPLUCQJ-VIFPVBQESA-N -1 0 320.309 -0.850 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000739148240 602716262 /nfs/dbraw/zinc/71/62/62/602716262.db2.gz JGXSNZPJMFXRML-QMMMGPOBSA-N -1 0 312.326 -0.473 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cn1nc2ccccn2c1=O ZINC000739150828 602720495 /nfs/dbraw/zinc/72/04/95/602720495.db2.gz CVXCCONXJWANMF-SNVBAGLBSA-N -1 0 319.321 -0.293 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CCN(C(=O)[O-])C[C@@H]2C)CC1=O ZINC000739830527 602720777 /nfs/dbraw/zinc/72/07/77/602720777.db2.gz VGZDRWNCOSWAIP-QWRGUYRKSA-N -1 0 313.354 -0.308 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000740329724 602721357 /nfs/dbraw/zinc/72/13/57/602721357.db2.gz ZCRWLCJCZOCWDH-UWVGGRQHSA-N -1 0 314.342 -0.728 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000739466975 602728985 /nfs/dbraw/zinc/72/89/85/602728985.db2.gz YGXKGZJMAVIJPM-SSDOTTSWSA-N -1 0 311.385 -0.905 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCC(=O)N1CCOCC1 ZINC000739145863 602730137 /nfs/dbraw/zinc/73/01/37/602730137.db2.gz BERUOXKHMLVICS-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000739157924 602730675 /nfs/dbraw/zinc/73/06/75/602730675.db2.gz PRSKACFIJAPLAD-ZETCQYMHSA-N -1 0 317.323 -0.249 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)CCCNC(=O)[O-])CC1 ZINC000737350926 602733399 /nfs/dbraw/zinc/73/33/99/602733399.db2.gz WYTWGYCVSCEOGO-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NCC[C@H](C)NC(=O)[O-] ZINC000739466607 602749721 /nfs/dbraw/zinc/74/97/21/602749721.db2.gz UQABOBKEUDKQIR-QMMMGPOBSA-N -1 0 310.376 -0.729 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC000737857699 602750134 /nfs/dbraw/zinc/75/01/34/602750134.db2.gz LTZAWROLSGDVBA-VIFPVBQESA-N -1 0 322.387 -0.633 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000739465295 602750497 /nfs/dbraw/zinc/75/04/97/602750497.db2.gz KESMRFKTMXBLDQ-SECBINFHSA-N -1 0 322.387 -0.633 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)C1CCN(C(=O)[O-])CC1 ZINC000737890734 602750848 /nfs/dbraw/zinc/75/08/48/602750848.db2.gz YWTIGTUFYWZQHE-UHFFFAOYSA-N -1 0 308.356 -0.141 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739464470 602756520 /nfs/dbraw/zinc/75/65/20/602756520.db2.gz FLMPGXDXCQVQIJ-VIFPVBQESA-N -1 0 322.387 -0.775 20 0 DBADRM CC(C)[C@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)NC(=O)[O-] ZINC000738777643 602775312 /nfs/dbraw/zinc/77/53/12/602775312.db2.gz LYYBVNXFMHDVNE-VIFPVBQESA-N -1 0 312.326 -0.665 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000827475489 602777488 /nfs/dbraw/zinc/77/74/88/602777488.db2.gz LIDNOGVQUSQOAG-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM C[C@@H](CC(=O)NCC1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000824635740 602782709 /nfs/dbraw/zinc/78/27/09/602782709.db2.gz KPNCYYRHMVDOAD-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@H](NC(=O)CN1CC[C@@H](NC(=O)[O-])[C@@H](C)C1)C(=O)N(C)C ZINC000738961250 602789215 /nfs/dbraw/zinc/78/92/15/602789215.db2.gz LZHQVRRPPWZXKK-GARJFASQSA-N -1 0 314.386 -0.443 20 0 DBADRM C[C@@](CNC(=O)[O-])(NC(=O)CCn1cc[nH]c(=O)c1=O)C1CC1 ZINC000738925493 602789543 /nfs/dbraw/zinc/78/95/43/602789543.db2.gz OKIWAFQMJADJQF-AWEZNQCLSA-N -1 0 324.337 -0.521 20 0 DBADRM COCCN1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000739833912 602792650 /nfs/dbraw/zinc/79/26/50/602792650.db2.gz LUTIUKYOWZVUDI-SNVBAGLBSA-N -1 0 303.384 -0.170 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)C[C@@H]3CCCN3C(=O)[O-])C2)C1=O ZINC000828446329 602795027 /nfs/dbraw/zinc/79/50/27/602795027.db2.gz VMTKRLBOPJHTQE-XPTSAGLGSA-N -1 0 324.337 -0.328 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@H]1CCCN1C(=O)[O-] ZINC000739813300 602795635 /nfs/dbraw/zinc/79/56/35/602795635.db2.gz NMQXMJTVMFNXSY-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM C[C@H](CCNS(=O)(=O)CCCS(C)(=O)=O)NC(=O)[O-] ZINC000738907355 602800578 /nfs/dbraw/zinc/80/05/78/602800578.db2.gz SASJKPPVCMAOOR-MRVPVSSYSA-N -1 0 316.401 -0.613 20 0 DBADRM CC(C)(CCC(=O)NCCN1C(=O)CNC1=O)NC(=O)[O-] ZINC000738738620 602807141 /nfs/dbraw/zinc/80/71/41/602807141.db2.gz AVHJJXZMQQWXED-UHFFFAOYSA-N -1 0 300.315 -0.519 20 0 DBADRM CN(CC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-])S(C)(=O)=O ZINC000739624035 602808150 /nfs/dbraw/zinc/80/81/50/602808150.db2.gz KKCPJCQMAMISBE-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739813228 602809425 /nfs/dbraw/zinc/80/94/25/602809425.db2.gz LQMVKVVQXBVNQJ-ZJUUUORDSA-N -1 0 309.388 -0.213 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739813225 602809444 /nfs/dbraw/zinc/80/94/44/602809444.db2.gz LQMVKVVQXBVNQJ-UWVGGRQHSA-N -1 0 309.388 -0.213 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])n1 ZINC000739750803 602813681 /nfs/dbraw/zinc/81/36/81/602813681.db2.gz YABORJCQZJFCFW-YUMQZZPRSA-N -1 0 310.314 -0.601 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)n1 ZINC000739747930 602813764 /nfs/dbraw/zinc/81/37/64/602813764.db2.gz FPAHQHLCUUUAPA-RKDXNWHRSA-N -1 0 324.341 -0.211 20 0 DBADRM NC(=O)CN1CCC(NC(=O)C2(NC(=O)[O-])CCCC2)CC1 ZINC000740335184 602821658 /nfs/dbraw/zinc/82/16/58/602821658.db2.gz YQFYYNLNIQKIHG-UHFFFAOYSA-N -1 0 312.370 -0.367 20 0 DBADRM C[C@H]1CN(C(=O)NCCS(C)(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739135745 602826040 /nfs/dbraw/zinc/82/60/40/602826040.db2.gz CUSLTWMFHBZBFN-IUCAKERBSA-N -1 0 307.372 -0.281 20 0 DBADRM C[C@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H](C)N1C(=O)[O-] ZINC000739189211 602827706 /nfs/dbraw/zinc/82/77/06/602827706.db2.gz ZVBJSYXZRKTOAK-UWVGGRQHSA-N -1 0 310.354 -0.343 20 0 DBADRM NC(=O)c1ccc(CNC(=O)[C@H]2COCCN2C(=O)[O-])cc1 ZINC000740332045 602828069 /nfs/dbraw/zinc/82/80/69/602828069.db2.gz PLWOHFJMAIOUGA-LLVKDONJSA-N -1 0 307.306 -0.220 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000739761970 602829522 /nfs/dbraw/zinc/82/95/22/602829522.db2.gz OKAIDBIWCWOZQK-BBBLOLIVSA-N -1 0 301.343 -0.263 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739762354 602829721 /nfs/dbraw/zinc/82/97/21/602829721.db2.gz OKAIDBIWCWOZQK-GUBZILKMSA-N -1 0 301.343 -0.263 20 0 DBADRM NC(=O)COc1cccc(NC(=O)[C@@H]2COCCN2C(=O)[O-])c1 ZINC000740331325 602835910 /nfs/dbraw/zinc/83/59/10/602835910.db2.gz LTPDADOGAJIZOD-NSHDSACASA-N -1 0 323.305 -0.132 20 0 DBADRM NC(=O)COc1cccc(NC(=O)[C@H]2COCCN2C(=O)[O-])c1 ZINC000740331323 602835943 /nfs/dbraw/zinc/83/59/43/602835943.db2.gz LTPDADOGAJIZOD-LLVKDONJSA-N -1 0 323.305 -0.132 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)[O-])CCS1(=O)=O ZINC000739127747 602842986 /nfs/dbraw/zinc/84/29/86/602842986.db2.gz OLARSDXAIDUYHL-SFYZADRCSA-N -1 0 308.381 -0.315 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)[O-])CCS1(=O)=O ZINC000739127746 602843100 /nfs/dbraw/zinc/84/31/00/602843100.db2.gz OLARSDXAIDUYHL-JGVFFNPUSA-N -1 0 308.381 -0.315 20 0 DBADRM Cn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000740292850 602844026 /nfs/dbraw/zinc/84/40/26/602844026.db2.gz AJRUNXPNKOFUAL-QWRGUYRKSA-N -1 0 323.353 -0.100 20 0 DBADRM CN(CC1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1)C(=O)[O-] ZINC000828258022 602853665 /nfs/dbraw/zinc/85/36/65/602853665.db2.gz AQDRFSSEQRBWAR-UHFFFAOYSA-N -1 0 324.341 -0.775 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H](NC(=O)[O-])C(C)C)C1 ZINC000737553607 602854308 /nfs/dbraw/zinc/85/43/08/602854308.db2.gz UCBXWXHBPBQYIK-VHSXEESVSA-N -1 0 321.399 -0.181 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])NC[C@@H]1COCCO1 ZINC000740367720 602856758 /nfs/dbraw/zinc/85/67/58/602856758.db2.gz WQJMVLWKQSLYHW-WDEREUQCSA-N -1 0 302.327 -0.323 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])NC[C@H]1COCCO1 ZINC000740367718 602856888 /nfs/dbraw/zinc/85/68/88/602856888.db2.gz WQJMVLWKQSLYHW-QWRGUYRKSA-N -1 0 302.327 -0.323 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000740015198 602857319 /nfs/dbraw/zinc/85/73/19/602857319.db2.gz FIBLBJNBEZQMDZ-JGVFFNPUSA-N -1 0 312.413 -0.075 20 0 DBADRM CCC(=O)N1CCCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739211291 602858611 /nfs/dbraw/zinc/85/86/11/602858611.db2.gz ORHHFSDFTZOZPP-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM COC1(C(=O)N[C@@H](C)CS(C)(=O)=O)CCN(C(=O)[O-])CC1 ZINC000739797913 602859478 /nfs/dbraw/zinc/85/94/78/602859478.db2.gz CPNQGMZYPZACSG-VIFPVBQESA-N -1 0 322.383 -0.305 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000739514026 602860151 /nfs/dbraw/zinc/86/01/51/602860151.db2.gz FAWFXMDRGMWMLU-HTQZYQBOSA-N -1 0 310.397 -0.021 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CC[C@H](CNC(=O)[O-])C2)C1=O ZINC000739812066 602861876 /nfs/dbraw/zinc/86/18/76/602861876.db2.gz SANVLWBKYAZPJV-RNCFNFMXSA-N -1 0 314.342 -0.510 20 0 DBADRM CC(=O)N(C)C1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000738513062 602864336 /nfs/dbraw/zinc/86/43/36/602864336.db2.gz ZPLBWXKGCQLXDQ-GFCCVEGCSA-N -1 0 313.354 -0.166 20 0 DBADRM NC(=O)CNC(=O)c1cccc(OC(=O)CCNC(=O)[O-])c1 ZINC000738439949 602866973 /nfs/dbraw/zinc/86/69/73/602866973.db2.gz IHTGRQVVZDYFNR-UHFFFAOYSA-N -1 0 309.278 -0.535 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000738551765 602867715 /nfs/dbraw/zinc/86/77/15/602867715.db2.gz PBRCOMWLCXTKJB-RYUDHWBXSA-N -1 0 313.354 -0.260 20 0 DBADRM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739244282 602868448 /nfs/dbraw/zinc/86/84/48/602868448.db2.gz JRRZPAQRUFYNJA-AEJSXWLSSA-N -1 0 301.343 -0.215 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCOCC2)C[C@H](C)N1C(=O)[O-] ZINC000739188672 602870559 /nfs/dbraw/zinc/87/05/59/602870559.db2.gz GRVKQQDGCASKCG-UWVGGRQHSA-N -1 0 307.372 -0.364 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCN(c2cccnn2)CC1 ZINC000740349624 602880746 /nfs/dbraw/zinc/88/07/46/602880746.db2.gz OJOAUDCXUKPJNL-LLVKDONJSA-N -1 0 321.337 -0.496 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)[C@H]1COCCN1C(=O)[O-])CC2 ZINC000740233362 602883370 /nfs/dbraw/zinc/88/33/70/602883370.db2.gz RLDNQRHMINTFJK-VHSXEESVSA-N -1 0 309.326 -0.604 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CCS1(=O)=O ZINC000739139391 602884166 /nfs/dbraw/zinc/88/41/66/602884166.db2.gz UGGAJJJATPSALL-UWVGGRQHSA-N -1 0 319.383 -0.043 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CCS1(=O)=O ZINC000739139388 602884262 /nfs/dbraw/zinc/88/42/62/602884262.db2.gz UGGAJJJATPSALL-NXEZZACHSA-N -1 0 319.383 -0.043 20 0 DBADRM O=C([O-])N(CC(=O)N1CCS(=O)(=O)CC1)C[C@@H]1CCCO1 ZINC000740493654 602885252 /nfs/dbraw/zinc/88/52/52/602885252.db2.gz YEYKWGKTPQCSJE-JTQLQIEISA-N -1 0 320.367 -0.598 20 0 DBADRM C[C@H]1CN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CCS1(=O)=O ZINC000736810193 602885494 /nfs/dbraw/zinc/88/54/94/602885494.db2.gz JNUABQHTNLWRBF-UWVGGRQHSA-N -1 0 319.383 -0.043 20 0 DBADRM N=C1NC(=O)C(CC(=O)NC[C@H]2CCCN2C(=O)[O-])S1 ZINC000831240061 602887884 /nfs/dbraw/zinc/88/78/84/602887884.db2.gz LXQGDMCFFOSJPK-RNFRBKRXSA-N -1 0 300.340 -0.199 20 0 DBADRM C[C@H]([C@H](C)NC(=O)[C@@H]1COCCN1C(=O)[O-])N1CCOCC1 ZINC000738957302 602889762 /nfs/dbraw/zinc/88/97/62/602889762.db2.gz IFFXXPPRMWVXPR-TUAOUCFPSA-N -1 0 315.370 -0.409 20 0 DBADRM C[C@H](NC(=O)[C@H]1COCCN1C(=O)[O-])[C@H](C)N1CCOCC1 ZINC000738957292 602889884 /nfs/dbraw/zinc/88/98/84/602889884.db2.gz IFFXXPPRMWVXPR-SDDRHHMPSA-N -1 0 315.370 -0.409 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000738757183 602896682 /nfs/dbraw/zinc/89/66/82/602896682.db2.gz BKEHXAAGFVYWKE-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000827266474 602899239 /nfs/dbraw/zinc/89/92/39/602899239.db2.gz SVOSMUGIDHSZII-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM C[C@H](NC(=O)COC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)N(C)C ZINC000738965948 602901664 /nfs/dbraw/zinc/90/16/64/602901664.db2.gz XAUAJPNRQPHMCI-DTWKUNHWSA-N -1 0 315.326 -0.878 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)[C@H]2CCN(C(=O)[O-])C2)n1 ZINC000739618755 602903944 /nfs/dbraw/zinc/90/39/44/602903944.db2.gz GEXUGBQYQZZMII-ZETCQYMHSA-N -1 0 310.314 -0.437 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000738725621 602904320 /nfs/dbraw/zinc/90/43/20/602904320.db2.gz OATHSOQVTTUJMJ-VIFPVBQESA-N -1 0 322.383 -0.305 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739040872 602907128 /nfs/dbraw/zinc/90/71/28/602907128.db2.gz WWBKFCXTYUODJG-YIZRAAEISA-N -1 0 307.372 -0.477 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000739040868 602907186 /nfs/dbraw/zinc/90/71/86/602907186.db2.gz WWBKFCXTYUODJG-HLTSFMKQSA-N -1 0 307.372 -0.477 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736341264 602907469 /nfs/dbraw/zinc/90/74/69/602907469.db2.gz RXKMLFJPUTVDJA-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCC2(O)CCC2)CC1 ZINC000740403835 602907662 /nfs/dbraw/zinc/90/76/62/602907662.db2.gz HJLQQKJVNVGRKH-UHFFFAOYSA-N -1 0 314.342 -0.977 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCOC[C@@H]1CCCO1 ZINC000740445164 602909137 /nfs/dbraw/zinc/90/91/37/602909137.db2.gz WBHXCHFYHOYDNQ-QWRGUYRKSA-N -1 0 302.327 -0.323 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2COCCN2C(=O)[O-])CCS1(=O)=O ZINC000739129507 602913765 /nfs/dbraw/zinc/91/37/65/602913765.db2.gz UJSDRXADVHHIAF-IUCAKERBSA-N -1 0 306.340 -0.989 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2COCCN2C(=O)[O-])CCS1(=O)=O ZINC000739129509 602914388 /nfs/dbraw/zinc/91/43/88/602914388.db2.gz UJSDRXADVHHIAF-RKDXNWHRSA-N -1 0 306.340 -0.989 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)[C@@H]2COCCN2C(=O)[O-])CCO1 ZINC000739475592 602917339 /nfs/dbraw/zinc/91/73/39/602917339.db2.gz OERGSZLZPPQPTF-VHSXEESVSA-N -1 0 316.310 -0.844 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000738758451 602918277 /nfs/dbraw/zinc/91/82/77/602918277.db2.gz UZVVKDLOJUTXJJ-MRVPVSSYSA-N -1 0 307.372 -0.523 20 0 DBADRM O=C([O-])NC[C@H]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000740641174 602918439 /nfs/dbraw/zinc/91/84/39/602918439.db2.gz OANVQHIDHSQBMH-NXEZZACHSA-N -1 0 308.342 -0.108 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000738855449 602921925 /nfs/dbraw/zinc/92/19/25/602921925.db2.gz NFWQMNSXCCDWJN-LLVKDONJSA-N -1 0 314.386 -0.347 20 0 DBADRM CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)C1=O ZINC000739729341 602924750 /nfs/dbraw/zinc/92/47/50/602924750.db2.gz QKJLBPWNXHHZAQ-MRVPVSSYSA-N -1 0 321.293 -0.543 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000831247224 602925060 /nfs/dbraw/zinc/92/50/60/602925060.db2.gz XHOCOQRXJPWUSB-VHSXEESVSA-N -1 0 319.383 -0.202 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCCS2(=O)=O)CCN1C(=O)[O-] ZINC000739132044 602925151 /nfs/dbraw/zinc/92/51/51/602925151.db2.gz HMWMWLRMYRCNJL-VIFPVBQESA-N -1 0 305.356 -0.767 20 0 DBADRM C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CCN1C(=O)[O-] ZINC000739126407 602925321 /nfs/dbraw/zinc/92/53/21/602925321.db2.gz PSWATEWTZMJYCF-SECBINFHSA-N -1 0 310.310 -0.863 20 0 DBADRM CC[C@@H](CCO)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739257420 602934998 /nfs/dbraw/zinc/93/49/98/602934998.db2.gz GKVAFMGYWIRMGL-JTQLQIEISA-N -1 0 316.358 -0.731 20 0 DBADRM C[C@@H](NC(=O)NCCN1CCN(C(=O)[O-])CC1)[C@H](C)CO ZINC000738938445 602935700 /nfs/dbraw/zinc/93/57/00/602935700.db2.gz HRTZJEWQKQKZQQ-GHMZBOCLSA-N -1 0 302.375 -0.402 20 0 DBADRM C[C@@H](CO)[C@H](C)NC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000738938447 602935778 /nfs/dbraw/zinc/93/57/78/602935778.db2.gz HRTZJEWQKQKZQQ-QWRGUYRKSA-N -1 0 302.375 -0.402 20 0 DBADRM CC[S@@](=O)CCNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739521372 602936322 /nfs/dbraw/zinc/93/63/22/602936322.db2.gz WLUOAPVRCLCMPL-OAQYLSRUSA-N -1 0 320.415 -0.650 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CCN(C(=O)[O-])[C@H](C)C1)C(C)C ZINC000739805142 602940740 /nfs/dbraw/zinc/94/07/40/602940740.db2.gz MDMRCOWIJVDRBM-PWSUYJOCSA-N -1 0 315.370 -0.016 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[C@H]1NC(=O)[O-] ZINC000739126604 602949199 /nfs/dbraw/zinc/94/91/99/602949199.db2.gz XHFFGUDRNUVVQN-DTWKUNHWSA-N -1 0 309.326 -0.137 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])c1noc(-c2cn(C)c(=O)n(C)c2=O)n1 ZINC000738907313 602949588 /nfs/dbraw/zinc/94/95/88/602949588.db2.gz LCQJDKULTSAANQ-ZETCQYMHSA-N -1 0 323.309 -0.153 20 0 DBADRM COCCN1C[C@H](C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)CC1=O ZINC000739829381 602949620 /nfs/dbraw/zinc/94/96/20/602949620.db2.gz PQGZCASDLZNDAV-WDEREUQCSA-N -1 0 313.354 -0.308 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000827283746 602954077 /nfs/dbraw/zinc/95/40/77/602954077.db2.gz LNEGTSLFQTWSEP-VIFPVBQESA-N -1 0 315.326 -0.734 20 0 DBADRM Cn1cc(C(=O)N2CCCC[C@H]2CNC(=O)[O-])c(=O)n(C)c1=O ZINC000740282216 602954927 /nfs/dbraw/zinc/95/49/27/602954927.db2.gz ZDKATBFZHNGLAR-VIFPVBQESA-N -1 0 324.337 -0.654 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)C[C@H]2CCCN2C(=O)[O-])CCO1 ZINC000823580444 602958892 /nfs/dbraw/zinc/95/88/92/602958892.db2.gz SCEDBZCLJUMTBM-NEPJUHHUSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739614304 602963328 /nfs/dbraw/zinc/96/33/28/602963328.db2.gz FIXDGOCJJBIGGC-VIFPVBQESA-N -1 0 323.371 -0.732 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC000739991043 602963394 /nfs/dbraw/zinc/96/33/94/602963394.db2.gz JKBFYFARBULFMZ-SFYZADRCSA-N -1 0 323.396 -0.811 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000739293655 602963488 /nfs/dbraw/zinc/96/34/88/602963488.db2.gz XXXDXVJQJFCMQV-CABZTGNLSA-N -1 0 321.399 -0.037 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCS(C)(=O)=O ZINC000739199520 602974609 /nfs/dbraw/zinc/97/46/09/602974609.db2.gz HYMIAPFPQBRUSR-YUMQZZPRSA-N -1 0 308.356 -0.349 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])C1=O ZINC000739723701 602977115 /nfs/dbraw/zinc/97/71/15/602977115.db2.gz NMSPBIOAEVMCJO-IUCAKERBSA-N -1 0 312.326 -0.567 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000739995627 602977851 /nfs/dbraw/zinc/97/78/51/602977851.db2.gz PBIDFTBRIIBADF-BDAKNGLRSA-N -1 0 307.372 -0.522 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])C2)C1=O ZINC000739725988 602978770 /nfs/dbraw/zinc/97/87/70/602978770.db2.gz CDXIMMNRTWKZSQ-ITMYJUKJSA-N -1 0 324.337 -0.425 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@H]3CCC[C@@H]3NC(=O)[O-])C2)C1=O ZINC000739725985 602978822 /nfs/dbraw/zinc/97/88/22/602978822.db2.gz CDXIMMNRTWKZSQ-FZNYLWTLSA-N -1 0 324.337 -0.425 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N[C@H](CNC(=O)[O-])C1CC1 ZINC000739993645 602982238 /nfs/dbraw/zinc/98/22/38/602982238.db2.gz FEJQRVFNBCGUCX-MRVPVSSYSA-N -1 0 324.428 -0.954 20 0 DBADRM O=C([O-])NC[C@H](NC(=S)NCCN1CCOCC1)C1CC1 ZINC000740613457 602982648 /nfs/dbraw/zinc/98/26/48/602982648.db2.gz RUCWWSUKJLUSDI-NSHDSACASA-N -1 0 316.427 -0.171 20 0 DBADRM CC[C@@H]1CO[C@@H](C)CN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739280813 602984652 /nfs/dbraw/zinc/98/46/52/602984652.db2.gz TWIXGRWOXUXWCK-WDEREUQCSA-N -1 0 313.354 -0.166 20 0 DBADRM CN(C)c1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cn1 ZINC000739615901 602987601 /nfs/dbraw/zinc/98/76/01/602987601.db2.gz HAQPXLBNMSCEOJ-UHFFFAOYSA-N -1 0 321.337 -0.092 20 0 DBADRM COCCN1CCN(C(=O)COCCNC(=O)[O-])C[C@H]1C ZINC000739833926 602987915 /nfs/dbraw/zinc/98/79/15/602987915.db2.gz MKHGEAXOAXMENZ-LLVKDONJSA-N -1 0 303.359 -0.550 20 0 DBADRM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000740637668 602992125 /nfs/dbraw/zinc/99/21/25/602992125.db2.gz ZUMUHRUFHSHFJW-ZJUUUORDSA-N -1 0 324.337 -0.109 20 0 DBADRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000740637665 602992244 /nfs/dbraw/zinc/99/22/44/602992244.db2.gz ZUMUHRUFHSHFJW-VHSXEESVSA-N -1 0 324.337 -0.109 20 0 DBADRM Cc1ccc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)cn1 ZINC000740127271 602993094 /nfs/dbraw/zinc/99/30/94/602993094.db2.gz WCPBXBZUJNUWOF-UHFFFAOYSA-N -1 0 306.322 -0.172 20 0 DBADRM CC(C)(CNC(=O)CC(C)(C)NC(=O)[O-])NS(C)(=O)=O ZINC000738732269 602993878 /nfs/dbraw/zinc/99/38/78/602993878.db2.gz SYXPSYYKFKGIQN-UHFFFAOYSA-N -1 0 309.388 -0.133 20 0 DBADRM C[C@H]1CN(C(=O)CC2SC(=N)NC2=O)CCN1C(=O)[O-] ZINC000825984271 602995777 /nfs/dbraw/zinc/99/57/77/602995777.db2.gz WMPZTODJCQHOHR-BQBZGAKWSA-N -1 0 300.340 -0.246 20 0 DBADRM Cn1nc2c(c1NC(=O)CN1CCN(C(=O)[O-])CC1=O)CCC2 ZINC000740300658 602996500 /nfs/dbraw/zinc/99/65/00/602996500.db2.gz DTKIVKNYPCPERD-UHFFFAOYSA-N -1 0 321.337 -0.331 20 0 DBADRM CCOC1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739491886 602996588 /nfs/dbraw/zinc/99/65/88/602996588.db2.gz RTVGRFDOWOHRMD-UHFFFAOYSA-N -1 0 313.354 -0.164 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCCn3nccc32)C(=O)C1 ZINC000740525774 602998369 /nfs/dbraw/zinc/99/83/69/602998369.db2.gz FGZKHNUSZCFBHG-UHFFFAOYSA-N -1 0 307.310 -0.558 20 0 DBADRM NC(=O)CN1C[C@H](OC(=O)[C@@H]2CCCN(C(=O)[O-])C2)CC1=O ZINC000738439197 602998847 /nfs/dbraw/zinc/99/88/47/602998847.db2.gz FDEYMHMEORHCRJ-RKDXNWHRSA-N -1 0 313.310 -0.994 20 0 DBADRM O=C([O-])N1CCN(CC(=O)Nc2ccc(Cl)nn2)C(=O)C1 ZINC000740371216 603000538 /nfs/dbraw/zinc/00/05/38/603000538.db2.gz ROTRVCKBEMEIHF-UHFFFAOYSA-N -1 0 313.701 -0.109 20 0 DBADRM Cc1nn(C)c(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1C ZINC000740247305 603003222 /nfs/dbraw/zinc/00/32/22/603003222.db2.gz WTQZVKRCUKNLOG-UHFFFAOYSA-N -1 0 309.326 -0.202 20 0 DBADRM Cn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(=O)[nH]c1=O ZINC000740280893 603004255 /nfs/dbraw/zinc/00/42/55/603004255.db2.gz MWYNADWOYXMHDM-CBLAIPOGSA-N -1 0 322.321 -0.111 20 0 DBADRM CC[S@@](=O)CCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739518872 603007130 /nfs/dbraw/zinc/00/71/30/603007130.db2.gz KQWBBQHTTAMTCD-OAQYLSRUSA-N -1 0 319.427 -0.055 20 0 DBADRM O=C(CN1CC(=O)NC1=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000740730992 603012661 /nfs/dbraw/zinc/01/26/61/603012661.db2.gz PFLLDHABDKHFTA-CBLAIPOGSA-N -1 0 310.310 -0.672 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CCN(C(=O)[O-])CC1)C(C)C ZINC000737733721 603012897 /nfs/dbraw/zinc/01/28/97/603012897.db2.gz SGJWVKYSXZURIW-NSHDSACASA-N -1 0 301.343 -0.404 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)[C@H]2CCCCN2C(=O)[O-])CCO1 ZINC000738550603 603013922 /nfs/dbraw/zinc/01/39/22/603013922.db2.gz LXRDYMKHEOBHDV-NWDGAFQWSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000740348087 603014243 /nfs/dbraw/zinc/01/42/43/603014243.db2.gz KVYJJVHZLNSCMN-MNOVXSKESA-N -1 0 315.395 -0.028 20 0 DBADRM CCOC(=O)CCCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739476404 603015069 /nfs/dbraw/zinc/01/50/69/603015069.db2.gz RQAKIBWRTLBQMK-UHFFFAOYSA-N -1 0 315.326 -0.732 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739715925 603015106 /nfs/dbraw/zinc/01/51/06/603015106.db2.gz IVDIJNWGCNAAGX-UHFFFAOYSA-N -1 0 309.326 -0.799 20 0 DBADRM O=C([O-])N1CCN(CC(=O)Nn2cnc3ccccc32)C(=O)C1 ZINC000740371085 603016176 /nfs/dbraw/zinc/01/61/76/603016176.db2.gz LXGWYPNTUFRSPO-UHFFFAOYSA-N -1 0 317.305 -0.071 20 0 DBADRM CC(C)(CC(=O)N1CCC2(CC1)NC(=O)NC2=O)NC(=O)[O-] ZINC000738730896 603016357 /nfs/dbraw/zinc/01/63/57/603016357.db2.gz IXEDNSRVJZFSMW-UHFFFAOYSA-N -1 0 312.326 -0.377 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739995581 603018308 /nfs/dbraw/zinc/01/83/08/603018308.db2.gz OIROHADFPIVKCA-BDAKNGLRSA-N -1 0 307.372 -0.522 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NCCC(=O)N1CCOCC1 ZINC000740572557 603019662 /nfs/dbraw/zinc/01/96/62/603019662.db2.gz GNVAVIDUGQJTTB-QWRGUYRKSA-N -1 0 313.354 -0.212 20 0 DBADRM COc1cccc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000739948477 603020965 /nfs/dbraw/zinc/02/09/65/603020965.db2.gz YRBQKLXBCZWAKT-UHFFFAOYSA-N -1 0 322.321 -0.471 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCc1nc(C2CC2)no1 ZINC000740367586 603021949 /nfs/dbraw/zinc/02/19/49/603021949.db2.gz FDJVKQGMAGPFTC-UHFFFAOYSA-N -1 0 323.309 -0.615 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000739312995 603028048 /nfs/dbraw/zinc/02/80/48/603028048.db2.gz QOBUKJUARTUUDW-WDEREUQCSA-N -1 0 311.342 -0.058 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCCCCn2ccnc2)C(=O)C1 ZINC000740369039 603029039 /nfs/dbraw/zinc/02/90/39/603029039.db2.gz KEINMUAGGHRAHA-UHFFFAOYSA-N -1 0 323.353 -0.398 20 0 DBADRM CC(C)(CC(=O)NCCN1CCS(=O)(=O)CC1)NC(=O)[O-] ZINC000738730220 603029602 /nfs/dbraw/zinc/02/96/02/603029602.db2.gz HKPPSOXTHYXVIZ-UHFFFAOYSA-N -1 0 321.399 -0.731 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739476306 603033288 /nfs/dbraw/zinc/03/32/88/603033288.db2.gz QJTRKMNKZAXQAP-UWVGGRQHSA-N -1 0 300.311 -0.223 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NCCN1CCCS1(=O)=O ZINC000740571085 603034205 /nfs/dbraw/zinc/03/42/05/603034205.db2.gz OZYLKQUOJLXWHF-NXEZZACHSA-N -1 0 319.383 -0.426 20 0 DBADRM Cn1nnnc1SCCC(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000740305127 603034461 /nfs/dbraw/zinc/03/44/61/603034461.db2.gz RFKBNUWZIIGYDB-QMMMGPOBSA-N -1 0 314.371 -0.145 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000832663024 603038734 /nfs/dbraw/zinc/03/87/34/603038734.db2.gz QGSXWZUTIBTDJN-GFCCVEGCSA-N -1 0 315.370 -0.406 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])CCO1 ZINC000739755460 603041990 /nfs/dbraw/zinc/04/19/90/603041990.db2.gz HUVTUNQUVVYXRD-BBBLOLIVSA-N -1 0 300.311 -0.177 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000738992533 603044635 /nfs/dbraw/zinc/04/46/35/603044635.db2.gz ATBCZWQUCSCKIQ-BDAKNGLRSA-N -1 0 309.326 -0.312 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000738550573 603047596 /nfs/dbraw/zinc/04/75/96/603047596.db2.gz LQPDPUBVTIINRK-MNOVXSKESA-N -1 0 314.342 -0.715 20 0 DBADRM COC[C@H](O)CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739809812 603051959 /nfs/dbraw/zinc/05/19/59/603051959.db2.gz HFQHAILZKGJTRH-MRVPVSSYSA-N -1 0 312.282 -0.767 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])CCO1 ZINC000738553785 603052909 /nfs/dbraw/zinc/05/29/09/603052909.db2.gz WSMGIYMCPFZNEG-WOPDTQHZSA-N -1 0 313.354 -0.214 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])C1 ZINC000739989367 603054571 /nfs/dbraw/zinc/05/45/71/603054571.db2.gz AFYIHIRLBUQJSN-BBBLOLIVSA-N -1 0 319.383 -0.427 20 0 DBADRM CC(C)(CC(=O)Nc1nc(CS(C)(=O)=O)no1)NC(=O)[O-] ZINC000738737180 603054818 /nfs/dbraw/zinc/05/48/18/603054818.db2.gz FHLCRTPPIUPAKC-UHFFFAOYSA-N -1 0 320.327 -0.011 20 0 DBADRM CN(CC(=O)NCC(C)(C)N1CCS(=O)CC1)C(=O)[O-] ZINC000737395489 603055394 /nfs/dbraw/zinc/05/53/94/603055394.db2.gz WWKKDKPDWAWLGI-UHFFFAOYSA-N -1 0 305.400 -0.445 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@H](CNC(=O)[O-])C2CC2)nn1 ZINC000739597811 603056242 /nfs/dbraw/zinc/05/62/42/603056242.db2.gz XQHXFISGVOJKIM-SECBINFHSA-N -1 0 324.341 -0.858 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)nn1 ZINC000739597812 603056587 /nfs/dbraw/zinc/05/65/87/603056587.db2.gz XQHXFISGVOJKIM-VIFPVBQESA-N -1 0 324.341 -0.858 20 0 DBADRM COCCN(CC(=O)N1CCS(=O)(=O)C[C@H]1C)C(=O)[O-] ZINC000739822400 603057124 /nfs/dbraw/zinc/05/71/24/603057124.db2.gz JVGAKJZOBNTCFK-SECBINFHSA-N -1 0 308.356 -0.742 20 0 DBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000738773075 603057717 /nfs/dbraw/zinc/05/77/17/603057717.db2.gz RUAGERPTHPOGQP-ZDUSSCGKSA-N -1 0 312.326 -0.253 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)Cc1nc2ncccn2n1)C1CC1 ZINC000740604160 603060585 /nfs/dbraw/zinc/06/05/85/603060585.db2.gz MCPMNQKCRPDUIU-SECBINFHSA-N -1 0 304.310 -0.171 20 0 DBADRM NC(=O)Nc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000740334039 603065123 /nfs/dbraw/zinc/06/51/23/603065123.db2.gz XCLGACCXSZTRCO-QWRGUYRKSA-N -1 0 322.321 -0.093 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000738751105 603065375 /nfs/dbraw/zinc/06/53/75/603065375.db2.gz PDXSGUHWYVAKKG-UHFFFAOYSA-N -1 0 318.355 -0.088 20 0 DBADRM CC1(C)CN(C(=O)[O-])CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000739071352 603065404 /nfs/dbraw/zinc/06/54/04/603065404.db2.gz PBILORNERJZKIN-UHFFFAOYSA-N -1 0 310.310 -0.450 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000738761451 603065744 /nfs/dbraw/zinc/06/57/44/603065744.db2.gz BTKKWQHDVGOOJW-WDEREUQCSA-N -1 0 313.354 -0.574 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000738761449 603065921 /nfs/dbraw/zinc/06/59/21/603065921.db2.gz BTKKWQHDVGOOJW-QWRGUYRKSA-N -1 0 313.354 -0.574 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000738761446 603066167 /nfs/dbraw/zinc/06/61/67/603066167.db2.gz BTKKWQHDVGOOJW-MNOVXSKESA-N -1 0 313.354 -0.574 20 0 DBADRM NC(=O)Cc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000740331431 603067747 /nfs/dbraw/zinc/06/77/47/603067747.db2.gz NJFOSRBZMAGTRS-QWRGUYRKSA-N -1 0 307.306 -0.234 20 0 DBADRM CN(C)c1ncccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739619938 603069276 /nfs/dbraw/zinc/06/92/76/603069276.db2.gz ZMAJURLATMPQLG-GHMZBOCLSA-N -1 0 308.338 -0.123 20 0 DBADRM Cn1cc(C(=O)NC2CCC(NC(=O)[O-])CC2)c(=O)[nH]c1=O ZINC000740281515 603071404 /nfs/dbraw/zinc/07/14/04/603071404.db2.gz RFJWAWUFFAHHLG-UHFFFAOYSA-N -1 0 310.310 -0.206 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)CN(C)C(=O)[O-])C2=O)n(C)n1 ZINC000830072684 603071434 /nfs/dbraw/zinc/07/14/34/603071434.db2.gz ICDJEYDLCRXRLC-VIFPVBQESA-N -1 0 309.326 -0.440 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N2CCC[C@@H]2CO)CC1 ZINC000740527061 603071622 /nfs/dbraw/zinc/07/16/22/603071622.db2.gz NBOOLBWSCNKBOZ-LLVKDONJSA-N -1 0 300.359 -0.552 20 0 DBADRM COCCCN(CCOC)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739809891 603072181 /nfs/dbraw/zinc/07/21/81/603072181.db2.gz FJGWSFWYTAPZOI-MNOVXSKESA-N -1 0 304.343 -0.389 20 0 DBADRM C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])C(=O)NC(C)(C)C ZINC000738953394 603073616 /nfs/dbraw/zinc/07/36/16/603073616.db2.gz DQDKLUKCBGCCQO-XHNCKOQMSA-N -1 0 301.343 -0.481 20 0 DBADRM C[C@@H]1CN(C(=O)COCCNC(=O)[O-])C[C@@H]1N1CCOCC1 ZINC000739137362 603073808 /nfs/dbraw/zinc/07/38/08/603073808.db2.gz UPWJGKPNOYXBQO-NEPJUHHUSA-N -1 0 315.370 -0.550 20 0 DBADRM O=C([O-])NCCCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000740650223 603075166 /nfs/dbraw/zinc/07/51/66/603075166.db2.gz QYARXZVLSQMBDB-LLVKDONJSA-N -1 0 300.359 -0.240 20 0 DBADRM CN(Cc1nnc2ccccn21)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739720945 603075223 /nfs/dbraw/zinc/07/52/23/603075223.db2.gz NWRDMDAAPWDOKK-ZJUUUORDSA-N -1 0 319.321 -0.199 20 0 DBADRM CC(C)(C)OC(=O)NCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000738715281 603075242 /nfs/dbraw/zinc/07/52/42/603075242.db2.gz SRRFDDLINOREFK-DTWKUNHWSA-N -1 0 317.342 -0.260 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NC1CCN(CC(F)F)CC1 ZINC000740400988 603075878 /nfs/dbraw/zinc/07/58/78/603075878.db2.gz IJZMJYWPTIZHQQ-VHSXEESVSA-N -1 0 321.324 -0.055 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000740609589 603077463 /nfs/dbraw/zinc/07/74/63/603077463.db2.gz JCUWGHFEDBMJII-WCBMZHEXSA-N -1 0 319.383 -0.234 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CC[C@@H](CNC(=O)[O-])C2)n1 ZINC000739778245 603081044 /nfs/dbraw/zinc/08/10/44/603081044.db2.gz BYKNBZODPFGWHU-VIFPVBQESA-N -1 0 310.310 -0.423 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CCC(CNC(=O)[O-])CC2)n1 ZINC000739780565 603081140 /nfs/dbraw/zinc/08/11/40/603081140.db2.gz PJHUCMDPBVCOJV-UHFFFAOYSA-N -1 0 324.337 -0.033 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000738985675 603082793 /nfs/dbraw/zinc/08/27/93/603082793.db2.gz JYNPRSOCXMTJSO-YUMQZZPRSA-N -1 0 309.326 -0.129 20 0 DBADRM COCCOC[C@@H]1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000829001742 603083897 /nfs/dbraw/zinc/08/38/97/603083897.db2.gz DRMIVEPFWPDHII-VXGBXAGGSA-N -1 0 316.354 -0.123 20 0 DBADRM CCN(C(=O)CN(CCOC)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739379899 603086764 /nfs/dbraw/zinc/08/67/64/603086764.db2.gz FGIDZPPTAMSTOS-JTQLQIEISA-N -1 0 322.383 -0.352 20 0 DBADRM COCCN(CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739814599 603086945 /nfs/dbraw/zinc/08/69/45/603086945.db2.gz UUCRJZRNNYUNJU-VIFPVBQESA-N -1 0 308.356 -0.742 20 0 DBADRM COCCN(CC(=O)N(C)CC(=O)NC(C)(C)C)C(=O)[O-] ZINC000739815085 603088503 /nfs/dbraw/zinc/08/85/03/603088503.db2.gz YPLWFWHDRQEQMY-UHFFFAOYSA-N -1 0 303.359 -0.014 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NC1CCC2(CC1)OCCO2 ZINC000740393995 603089268 /nfs/dbraw/zinc/08/92/68/603089268.db2.gz ZUKSTHSJUNBEEL-QWRGUYRKSA-N -1 0 314.338 -0.099 20 0 DBADRM COCCN(CC(=O)NC[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739819098 603090383 /nfs/dbraw/zinc/09/03/83/603090383.db2.gz VBLCUMFMSINKRD-SECBINFHSA-N -1 0 308.356 -0.836 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)NC1CCCCC1 ZINC000740376625 603090485 /nfs/dbraw/zinc/09/04/85/603090485.db2.gz HJHFBQVMULXXGI-WDEREUQCSA-N -1 0 313.354 -0.335 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)NC1CCN(C(=O)[O-])CC1 ZINC000739189279 603095017 /nfs/dbraw/zinc/09/50/17/603095017.db2.gz LKDAKQLLVXOGAM-SECBINFHSA-N -1 0 319.383 -0.043 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000739188398 603098163 /nfs/dbraw/zinc/09/81/63/603098163.db2.gz KDGQLUOWXUHDQO-NXEZZACHSA-N -1 0 319.383 -0.043 20 0 DBADRM CCN(CCNC(=O)N1CCS(=O)(=O)C[C@H]1C)C(=O)[O-] ZINC000739428873 603098364 /nfs/dbraw/zinc/09/83/64/603098364.db2.gz GBLYJLLKKJLVQX-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM CCC(CC)(CNC(=O)[O-])NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000739249820 603098773 /nfs/dbraw/zinc/09/87/73/603098773.db2.gz MEWVQDPLQMOIQJ-MRVPVSSYSA-N -1 0 309.388 -0.133 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCCNc1ncccn1 ZINC000740428098 603099370 /nfs/dbraw/zinc/09/93/70/603099370.db2.gz LHIWERHPAOJYEJ-NXEZZACHSA-N -1 0 309.326 -0.492 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NC[C@H](O)c2ccccc2)C(=O)C1 ZINC000740366564 603101986 /nfs/dbraw/zinc/10/19/86/603101986.db2.gz BZKRFLLSJUDYIS-LBPRGKRZSA-N -1 0 321.333 -0.342 20 0 DBADRM CS(=O)(=O)Cc1noc(NC(=O)CCCNC(=O)[O-])n1 ZINC000739986925 603104798 /nfs/dbraw/zinc/10/47/98/603104798.db2.gz YIELLMQWIUCDLF-UHFFFAOYSA-N -1 0 306.300 -0.400 20 0 DBADRM CC(C)(C)OC(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738704333 603106315 /nfs/dbraw/zinc/10/63/15/603106315.db2.gz HYKHQUSFVLUJRV-UHFFFAOYSA-N -1 0 316.310 -0.307 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCN1CCOCC1 ZINC000739202470 603107161 /nfs/dbraw/zinc/10/71/61/603107161.db2.gz OHJLOAAAHZSZGT-QWRGUYRKSA-N -1 0 315.370 -0.062 20 0 DBADRM COC(=O)[C@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(C)C ZINC000739758517 603108184 /nfs/dbraw/zinc/10/81/84/603108184.db2.gz AHVGJAMSDRXDEF-LLVKDONJSA-N -1 0 316.310 -0.451 20 0 DBADRM COCCN(CC(=O)N[C@H](C)CN1CCCC1=O)C(=O)[O-] ZINC000739821789 603108523 /nfs/dbraw/zinc/10/85/23/603108523.db2.gz GBOYZGQIRDPHSD-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)OCc1noc(C2CC2)n1 ZINC000740374123 603109729 /nfs/dbraw/zinc/10/97/29/603109729.db2.gz PDNOLELKPCUJHE-UHFFFAOYSA-N -1 0 324.293 -0.188 20 0 DBADRM Cc1nnc([C@@H](C)OC(=O)CN2CCN(C(=O)[O-])CC2=O)o1 ZINC000740259050 603111002 /nfs/dbraw/zinc/11/10/02/603111002.db2.gz PGGAPVPSYAUIJZ-SSDOTTSWSA-N -1 0 312.282 -0.196 20 0 DBADRM CC[C@H](O)CN1CCN(C(=O)CN(CCOC)C(=O)[O-])CC1 ZINC000739279735 603111846 /nfs/dbraw/zinc/11/18/46/603111846.db2.gz SNWGQTOLFWBRKM-LBPRGKRZSA-N -1 0 317.386 -0.472 20 0 DBADRM COCCN(CC(=O)N[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC000739819969 603113486 /nfs/dbraw/zinc/11/34/86/603113486.db2.gz UXYQEEAFECEYEC-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000739516692 603113592 /nfs/dbraw/zinc/11/35/92/603113592.db2.gz UANJGXKBCYXPHA-RKDXNWHRSA-N -1 0 308.356 -0.095 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739516681 603113645 /nfs/dbraw/zinc/11/36/45/603113645.db2.gz UANJGXKBCYXPHA-BDAKNGLRSA-N -1 0 308.356 -0.095 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1S(=O)(=O)CCS(C)(=O)=O ZINC000826027186 603115705 /nfs/dbraw/zinc/11/57/05/603115705.db2.gz RMXDOUSNVQLLJD-QMMMGPOBSA-N -1 0 314.385 -0.955 20 0 DBADRM COCCN(CC(=O)N1CCN(CCOC)CC1)C(=O)[O-] ZINC000739831180 603116427 /nfs/dbraw/zinc/11/64/27/603116427.db2.gz ACPJNOQFIUCSBV-UHFFFAOYSA-N -1 0 303.359 -0.597 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000739530197 603118074 /nfs/dbraw/zinc/11/80/74/603118074.db2.gz GBBOCVGJJFCISS-JTQLQIEISA-N -1 0 300.359 -0.687 20 0 DBADRM CC(C)[C@@H](CNS(=O)(=O)CCS(C)(=O)=O)NC(=O)[O-] ZINC000824122909 603118568 /nfs/dbraw/zinc/11/85/68/603118568.db2.gz KHWCDFSKUPDWNL-MRVPVSSYSA-N -1 0 316.401 -0.757 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000827306446 603123142 /nfs/dbraw/zinc/12/31/42/603123142.db2.gz QREBQMSQZIEFKY-VIFPVBQESA-N -1 0 308.356 -0.047 20 0 DBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)CC[C@H]1NC(=O)NC1=O ZINC000738771941 603127018 /nfs/dbraw/zinc/12/70/18/603127018.db2.gz NJGCYTWPKCDGMI-OQPBUACISA-N -1 0 314.342 -0.227 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000828971366 603130172 /nfs/dbraw/zinc/13/01/72/603130172.db2.gz WXWNICORFQDMAH-VHSXEESVSA-N -1 0 309.388 -0.165 20 0 DBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)CCNS(C)(=O)=O ZINC000738772583 603130356 /nfs/dbraw/zinc/13/03/56/603130356.db2.gz QCXCJVUJQYJQOJ-NSHDSACASA-N -1 0 309.388 -0.276 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N2CCC[C@@H]2CNC(=O)[O-])C1=O ZINC000825739622 603131372 /nfs/dbraw/zinc/13/13/72/603131372.db2.gz MWTBDMLNRNDYEA-MRVPVSSYSA-N -1 0 312.326 -0.425 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000824369293 603132513 /nfs/dbraw/zinc/13/25/13/603132513.db2.gz QZLAADIVDBHMBD-LLVKDONJSA-N -1 0 314.386 -0.299 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O)C(=O)[O-] ZINC000828198734 603141931 /nfs/dbraw/zinc/14/19/31/603141931.db2.gz JWSNSYNFMPGGKQ-SNVBAGLBSA-N -1 0 324.337 -0.852 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)Nc1ccc(O)cc1 ZINC000740375667 603147652 /nfs/dbraw/zinc/14/76/52/603147652.db2.gz FTSWIOQAWCHIIB-MNOVXSKESA-N -1 0 324.289 -0.013 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)Nc1ccc(O)cc1 ZINC000740376077 603147685 /nfs/dbraw/zinc/14/76/85/603147685.db2.gz FTSWIOQAWCHIIB-WDEREUQCSA-N -1 0 324.289 -0.013 20 0 DBADRM NC(=O)c1ccc(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000740331450 603148952 /nfs/dbraw/zinc/14/89/52/603148952.db2.gz LPWRBIVJJQYMRX-MNOVXSKESA-N -1 0 308.290 -0.058 20 0 DBADRM CN(CCOC(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)[O-] ZINC000737997283 603149841 /nfs/dbraw/zinc/14/98/41/603149841.db2.gz KTISWKDWNXOISR-UHFFFAOYSA-N -1 0 313.310 -0.092 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)OCC(=O)N1CCOCC1 ZINC000740720815 603151027 /nfs/dbraw/zinc/15/10/27/603151027.db2.gz JUQNNHYYDXDBCF-QMMMGPOBSA-N -1 0 304.324 -0.559 20 0 DBADRM CN(C[C@H]1CCCN1S(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000828230110 603151826 /nfs/dbraw/zinc/15/18/26/603151826.db2.gz MOFAMZZQVXOBPJ-SNVBAGLBSA-N -1 0 307.372 -0.362 20 0 DBADRM O=C(COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])NCC1CCC1 ZINC000740374490 603153253 /nfs/dbraw/zinc/15/32/53/603153253.db2.gz AVGWEXMGWQDHTE-VHSXEESVSA-N -1 0 300.311 -0.441 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)N1CCCCC1 ZINC000740723711 603157490 /nfs/dbraw/zinc/15/74/90/603157490.db2.gz XYCHHKFXPMERGH-UWVGGRQHSA-N -1 0 300.311 -0.345 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)NCc1ccccc1 ZINC000740380293 603160597 /nfs/dbraw/zinc/16/05/97/603160597.db2.gz XVZXRQGBOSFFSP-NEPJUHHUSA-N -1 0 322.317 -0.041 20 0 DBADRM CNS(=O)(=O)CCCOC(=O)C1CCN(C(=O)[O-])CC1 ZINC000739751317 603160778 /nfs/dbraw/zinc/16/07/78/603160778.db2.gz USVFJFUURRHTBC-UHFFFAOYSA-N -1 0 308.356 -0.141 20 0 DBADRM O=C(COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])NC1CCCC1 ZINC000740378125 603162820 /nfs/dbraw/zinc/16/28/20/603162820.db2.gz OCJLYZWTPBFEFF-NXEZZACHSA-N -1 0 300.311 -0.298 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739460243 603163944 /nfs/dbraw/zinc/16/39/44/603163944.db2.gz HNTVVSTUTJZHPK-SNVBAGLBSA-N -1 0 314.386 -0.299 20 0 DBADRM COCCN(CC(=O)OCC(=O)N1CCOCC1)C(=O)[O-] ZINC000739828023 603164260 /nfs/dbraw/zinc/16/42/60/603164260.db2.gz XKOGOKUERZQNDI-UHFFFAOYSA-N -1 0 304.299 -0.985 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000739672981 603183140 /nfs/dbraw/zinc/18/31/40/603183140.db2.gz YQDPVXXDUPLZMN-UHFFFAOYSA-N -1 0 300.315 -0.567 20 0 DBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)C2=COCC2)C1 ZINC000740659150 603184248 /nfs/dbraw/zinc/18/42/48/603184248.db2.gz QVOYHHIAVFQQAJ-SNVBAGLBSA-N -1 0 311.338 -0.087 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000738444136 603186615 /nfs/dbraw/zinc/18/66/15/603186615.db2.gz AMTMYYYMGHUAQC-ZJUUUORDSA-N -1 0 319.383 -0.344 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000740343132 603187312 /nfs/dbraw/zinc/18/73/12/603187312.db2.gz ULUNBBJITYDUTK-RKDXNWHRSA-N -1 0 305.356 -0.592 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739243602 603189047 /nfs/dbraw/zinc/18/90/47/603189047.db2.gz HFLFVDFICVKOMR-SNVBAGLBSA-N -1 0 319.383 -0.329 20 0 DBADRM O=C([O-])N1CCC[C@H]1C(=O)N1CCN(CCn2cncn2)CC1 ZINC000740344944 603189124 /nfs/dbraw/zinc/18/91/24/603189124.db2.gz JHSKIJKKCWXQLC-LBPRGKRZSA-N -1 0 322.369 -0.435 20 0 DBADRM O=C([O-])NCCNC(=O)CN1CCN(c2ccccn2)CC1 ZINC000740658846 603190392 /nfs/dbraw/zinc/19/03/92/603190392.db2.gz HEZQNRUWZHDXRB-UHFFFAOYSA-N -1 0 307.354 -0.413 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCc1nncn1C ZINC000739199279 603192323 /nfs/dbraw/zinc/19/23/23/603192323.db2.gz GAZMEMSSAQQTIU-WPRPVWTQSA-N -1 0 311.342 -0.023 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000740342040 603193173 /nfs/dbraw/zinc/19/31/73/603193173.db2.gz QFCWFCBKSPWLTP-MXWKQRLJSA-N -1 0 309.326 -0.445 20 0 DBADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC1CN(C(=O)[O-])C1 ZINC000740273817 603202137 /nfs/dbraw/zinc/20/21/37/603202137.db2.gz GXYZIRMQNGEKHO-UHFFFAOYSA-N -1 0 317.323 -0.364 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000825185534 603204702 /nfs/dbraw/zinc/20/47/02/603204702.db2.gz FFPREXQSWQACDH-HTQZYQBOSA-N -1 0 316.339 -0.163 20 0 DBADRM O=C([O-])NCC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000832397157 603205739 /nfs/dbraw/zinc/20/57/39/603205739.db2.gz ODWIJMXWJHSLBS-ZETCQYMHSA-N -1 0 302.312 -0.551 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NCCN2C(=O)CNC2=O)C1 ZINC000740570872 603206164 /nfs/dbraw/zinc/20/61/64/603206164.db2.gz SGXHKBJTPAHTTG-BDAKNGLRSA-N -1 0 312.326 -0.519 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739990638 603208960 /nfs/dbraw/zinc/20/89/60/603208960.db2.gz IQYNMYMKLJVTQU-VIFPVBQESA-N -1 0 305.356 -0.910 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CSCC(N)=O ZINC000739202724 603210720 /nfs/dbraw/zinc/21/07/20/603210720.db2.gz HMBBKYPZECFWOH-SFYZADRCSA-N -1 0 319.383 -0.176 20 0 DBADRM C[C@H](NC(N)=O)C(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739032294 603218338 /nfs/dbraw/zinc/21/83/38/603218338.db2.gz JZCSMAJSAAHVOO-RNJXMRFFSA-N -1 0 302.331 -0.337 20 0 DBADRM Cn1cc(C(C)(C)NC(=O)CN2CCN(C(=O)[O-])CC2=O)cn1 ZINC000740287466 603222848 /nfs/dbraw/zinc/22/28/48/603222848.db2.gz MAJIUCXSBSETAU-UHFFFAOYSA-N -1 0 323.353 -0.406 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738127142 603223960 /nfs/dbraw/zinc/22/39/60/603223960.db2.gz OESRCZLVAWWASR-JTQLQIEISA-N -1 0 322.383 -0.446 20 0 DBADRM O=C([O-])NCCOCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000740666447 603224500 /nfs/dbraw/zinc/22/45/00/603224500.db2.gz FQNHDLFXVQEJGX-LLVKDONJSA-N -1 0 323.353 -0.154 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)CN(C)C(=O)[O-])cn1 ZINC000737815703 603225579 /nfs/dbraw/zinc/22/55/79/603225579.db2.gz UAOFNCAHAFJSPK-UHFFFAOYSA-N -1 0 313.314 -0.806 20 0 DBADRM C[C@@H](CC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)NC(=O)[O-] ZINC000824592992 603230829 /nfs/dbraw/zinc/23/08/29/603230829.db2.gz WQBSBYIWXPCTOB-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM CN1C(=O)N[C@@]2(CCN(C(=O)[C@@H]3CCN(C(=O)[O-])C3)C2)C1=O ZINC000739730425 603236896 /nfs/dbraw/zinc/23/68/96/603236896.db2.gz URGAXEXAMZHRBI-AMIZOPFISA-N -1 0 310.310 -0.861 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)n1 ZINC000739601274 603238308 /nfs/dbraw/zinc/23/83/08/603238308.db2.gz ZCKDMJVGQIMKJV-VIFPVBQESA-N -1 0 309.326 -0.090 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)COCCNC(=O)[O-])CCS1(=O)=O ZINC000739072321 603242969 /nfs/dbraw/zinc/24/29/69/603242969.db2.gz CLFOMCPDRIMICP-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM CN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739597052 603246483 /nfs/dbraw/zinc/24/64/83/603246483.db2.gz PGTWSHPOQDQECD-RKDXNWHRSA-N -1 0 301.368 -0.024 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)o1 ZINC000832692022 603246924 /nfs/dbraw/zinc/24/69/24/603246924.db2.gz UVSWDMUPGJLUMQ-ZETCQYMHSA-N -1 0 302.308 -0.036 20 0 DBADRM CN1CCO[C@H](CNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000737530325 603258859 /nfs/dbraw/zinc/25/88/59/603258859.db2.gz TYODUCNNJKFTEP-WDEREUQCSA-N -1 0 300.359 -0.241 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)S(=O)(=O)N(C)C1CC1 ZINC000739687443 603260603 /nfs/dbraw/zinc/26/06/03/603260603.db2.gz LOTAJTZCYYUWTF-UHFFFAOYSA-N -1 0 320.415 -0.447 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N(C)CCCNC(=O)[O-])C[C@H](C)O1 ZINC000739186749 603262080 /nfs/dbraw/zinc/26/20/80/603262080.db2.gz CCZFVHYWXUJVED-UWVGGRQHSA-N -1 0 309.388 -0.070 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739597174 603265434 /nfs/dbraw/zinc/26/54/34/603265434.db2.gz XUFKPEPCDRIHMP-LLVKDONJSA-N -1 0 312.370 -0.781 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000738522161 603276972 /nfs/dbraw/zinc/27/69/72/603276972.db2.gz CTPYVMBNMJRWAQ-GFCCVEGCSA-N -1 0 312.370 -0.733 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)NCCC(=O)N1CCOCC1 ZINC000739677984 603280395 /nfs/dbraw/zinc/28/03/95/603280395.db2.gz MFMZNXDOKGGSJO-UHFFFAOYSA-N -1 0 316.358 -0.466 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000738994243 603281726 /nfs/dbraw/zinc/28/17/26/603281726.db2.gz JNRPVPHXGLRRSL-WPRPVWTQSA-N -1 0 309.326 -0.312 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)NCCCN1C(=O)CCC1=O ZINC000739679093 603284248 /nfs/dbraw/zinc/28/42/48/603284248.db2.gz YANMNJGZHBPQRL-UHFFFAOYSA-N -1 0 314.342 -0.175 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000739985592 603285357 /nfs/dbraw/zinc/28/53/57/603285357.db2.gz UNHBBKLNBCIPLT-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739517563 603293362 /nfs/dbraw/zinc/29/33/62/603293362.db2.gz YSEXVFPUPLWQQE-SECBINFHSA-N -1 0 307.372 -0.568 20 0 DBADRM O=C(CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)NC1CC1 ZINC000740367111 603294659 /nfs/dbraw/zinc/29/46/59/603294659.db2.gz HKGFXXSGMBWRDM-UHFFFAOYSA-N -1 0 310.310 -0.671 20 0 DBADRM O=C(CN(CC1CC1)C(=O)[O-])NC[C@H]1CCS(=O)(=O)C1 ZINC000831460946 603296046 /nfs/dbraw/zinc/29/60/46/603296046.db2.gz VOIQVZZEJMNLHX-SNVBAGLBSA-N -1 0 304.368 -0.073 20 0 DBADRM O=C(CN(CC1CC1)C(=O)[O-])NC[C@@H]1CCS(=O)(=O)C1 ZINC000831460945 603296091 /nfs/dbraw/zinc/29/60/91/603296091.db2.gz VOIQVZZEJMNLHX-JTQLQIEISA-N -1 0 304.368 -0.073 20 0 DBADRM O=C([O-])N1CCC[C@@H](C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000738720801 603298701 /nfs/dbraw/zinc/29/87/01/603298701.db2.gz QSDNRUBRURHHOR-AMIZOPFISA-N -1 0 310.310 -0.813 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000739223339 603298865 /nfs/dbraw/zinc/29/88/65/603298865.db2.gz JCHQCDHQWCSKKG-HHURGBBESA-N -1 0 312.326 -0.521 20 0 DBADRM O=C([O-])NC1(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)CCCC1 ZINC000740534026 603299381 /nfs/dbraw/zinc/29/93/81/603299381.db2.gz RGDQTAONUBYLNN-ZDUSSCGKSA-N -1 0 310.310 -0.623 20 0 DBADRM O=C([O-])N1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000740732137 603299886 /nfs/dbraw/zinc/29/98/86/603299886.db2.gz HAODDMGIFUSMMF-OQPBUACISA-N -1 0 310.310 -0.671 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000827471826 603304793 /nfs/dbraw/zinc/30/47/93/603304793.db2.gz MPDVPMDQWZHFLH-SECBINFHSA-N -1 0 307.372 -0.137 20 0 DBADRM O=C([O-])NCCOc1cccc(NC(=O)NC(CO)CO)c1 ZINC000832668846 603307988 /nfs/dbraw/zinc/30/79/88/603307988.db2.gz PHLGNPSJRATJJS-UHFFFAOYSA-N -1 0 313.310 -0.192 20 0 DBADRM C[C@@H](CC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)NC(=O)[O-] ZINC000824584071 603308402 /nfs/dbraw/zinc/30/84/02/603308402.db2.gz WRTNKCFYSHQWOY-UWVGGRQHSA-N -1 0 321.399 -0.037 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)Cn1cnc2c1ncnc2N ZINC000739677158 603311154 /nfs/dbraw/zinc/31/11/54/603311154.db2.gz DLKMWCVCBJWWRZ-UHFFFAOYSA-N -1 0 307.314 -0.475 20 0 DBADRM CN(CC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-])S(C)(=O)=O ZINC000739623598 603311262 /nfs/dbraw/zinc/31/12/62/603311262.db2.gz HILAUKRYZXWAOQ-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@@H](CC(=O)NCCS(=O)(=O)NC(C)(C)C)NC(=O)[O-] ZINC000824655362 603311818 /nfs/dbraw/zinc/31/18/18/603311818.db2.gz KDZHPZZHOCRYLU-QMMMGPOBSA-N -1 0 309.388 -0.133 20 0 DBADRM COCCN(CC(=O)NC[C@@H](O)C1CCOCC1)C(=O)[O-] ZINC000739817420 603312591 /nfs/dbraw/zinc/31/25/91/603312591.db2.gz FRSFZYDXRLMZQW-LLVKDONJSA-N -1 0 304.343 -0.484 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000739993262 603317729 /nfs/dbraw/zinc/31/77/29/603317729.db2.gz XYQOSZIGBVYYML-DTWKUNHWSA-N -1 0 305.356 -0.864 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)O[C@H]1CCN(C(=O)[O-])C1 ZINC000738704741 603320879 /nfs/dbraw/zinc/32/08/79/603320879.db2.gz NUFLAUHGTNUIDE-QMMMGPOBSA-N -1 0 308.356 0.000 20 0 DBADRM C[C@@H](CC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)NC(=O)[O-] ZINC000824582120 603325494 /nfs/dbraw/zinc/32/54/94/603325494.db2.gz NWNJMKOMTYPIPL-DTWKUNHWSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1NC(=O)[O-] ZINC000739169643 603327432 /nfs/dbraw/zinc/32/74/32/603327432.db2.gz SQZLGXPKSUGWBG-SCZZXKLOSA-N -1 0 324.337 -0.798 20 0 DBADRM C[C@@H](CC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)NC(=O)[O-] ZINC000824582104 603327689 /nfs/dbraw/zinc/32/76/89/603327689.db2.gz NRPDUYFHSKOKBQ-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739126461 603338757 /nfs/dbraw/zinc/33/87/57/603338757.db2.gz QDDHMTWVOFJLGB-BDAKNGLRSA-N -1 0 307.372 -0.618 20 0 DBADRM O=C([O-])N1CCC(n2cc(C(=O)NN3CCOCC3)nn2)CC1 ZINC000740452332 603352055 /nfs/dbraw/zinc/35/20/55/603352055.db2.gz MIMCHBZJLKVDFW-UHFFFAOYSA-N -1 0 324.341 -0.430 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000739476763 603356734 /nfs/dbraw/zinc/35/67/34/603356734.db2.gz VLISFHUVYWHQMH-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM CC[C@@H](C)[C@@H](O)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739240960 603358265 /nfs/dbraw/zinc/35/82/65/603358265.db2.gz XUJBQPZIKPYFKR-NEPJUHHUSA-N -1 0 316.402 -0.012 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CCN(C(=O)[O-])[C@H](C)C1 ZINC000739808487 603362281 /nfs/dbraw/zinc/36/22/81/603362281.db2.gz TZAJLKKEIRPQKV-VHSXEESVSA-N -1 0 316.358 -0.469 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCCN(C(=O)[O-])CC2)S1 ZINC000831238879 603376637 /nfs/dbraw/zinc/37/66/37/603376637.db2.gz AGKRUWJSVJXYDE-ZETCQYMHSA-N -1 0 300.340 -0.245 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739459022 603381836 /nfs/dbraw/zinc/38/18/36/603381836.db2.gz CKPUYPDLZREDEG-UHFFFAOYSA-N -1 0 308.294 -0.033 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCC[C@@H](NC(=O)[O-])C2)S1 ZINC000831240800 603383267 /nfs/dbraw/zinc/38/32/67/603383267.db2.gz QHQXTLCMTXUNDB-RQJHMYQMSA-N -1 0 300.340 -0.199 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCC[C@H](NC(=O)[O-])C2)S1 ZINC000831240794 603383447 /nfs/dbraw/zinc/38/34/47/603383447.db2.gz QHQXTLCMTXUNDB-BQBZGAKWSA-N -1 0 300.340 -0.199 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739464127 603385356 /nfs/dbraw/zinc/38/53/56/603385356.db2.gz YQFOQGADYIISJH-NXEZZACHSA-N -1 0 301.343 -0.214 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])N[C@H]1CCS(=O)(=O)C1 ZINC000740363677 603387018 /nfs/dbraw/zinc/38/70/18/603387018.db2.gz KCCBNNLOFNGQRS-UWVGGRQHSA-N -1 0 320.367 -0.551 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000739662611 603388914 /nfs/dbraw/zinc/38/89/14/603388914.db2.gz BINPPHQBXBDZHD-BDAKNGLRSA-N -1 0 322.408 -0.068 20 0 DBADRM NS(=O)(=O)CCCNC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000831244592 603388963 /nfs/dbraw/zinc/38/89/63/603388963.db2.gz AFYBTKPBRSEOIW-UHFFFAOYSA-N -1 0 305.312 -0.544 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CCC[C@H](NC(=O)[O-])C2)cn1 ZINC000738370133 603398220 /nfs/dbraw/zinc/39/82/20/603398220.db2.gz KSUJKZHLDUEOBC-VIFPVBQESA-N -1 0 307.310 -0.018 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)cn1 ZINC000740232618 603407685 /nfs/dbraw/zinc/40/76/85/603407685.db2.gz QKTIHGKBMKNGAS-SECBINFHSA-N -1 0 307.310 -0.160 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[O-])C[C@H]2C)n(C)n1 ZINC000740080493 603417261 /nfs/dbraw/zinc/41/72/61/603417261.db2.gz UXFCJYWKVOQFOQ-SECBINFHSA-N -1 0 309.326 -0.122 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)n(C)n1 ZINC000738410153 603421276 /nfs/dbraw/zinc/42/12/76/603421276.db2.gz FCRAFULDEOFYCB-VIFPVBQESA-N -1 0 309.326 -0.074 20 0 DBADRM CCN(CC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC000739389674 603423583 /nfs/dbraw/zinc/42/35/83/603423583.db2.gz IGIPDIOJWNHUPJ-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CCn1cc(NC(=O)C(=O)NCCCN(C)C(=O)[O-])ccc1=O ZINC000739565638 603429822 /nfs/dbraw/zinc/42/98/22/603429822.db2.gz DUVWCLMQCXRVON-UHFFFAOYSA-N -1 0 324.337 -0.077 20 0 DBADRM CCN(CC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1)C(=O)[O-] ZINC000739390365 603433021 /nfs/dbraw/zinc/43/30/21/603433021.db2.gz OOIPSNYPBPHHQH-SECBINFHSA-N -1 0 307.372 -0.487 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828096211 603435770 /nfs/dbraw/zinc/43/57/70/603435770.db2.gz ZZBQSDMMRIVJBC-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)OC(=O)COC1CN(C(=O)[O-])C1 ZINC000827250593 603442687 /nfs/dbraw/zinc/44/26/87/603442687.db2.gz ULOFRENPTXBJEV-ZETCQYMHSA-N -1 0 317.298 -0.857 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCN(C(=O)[O-])C[C@H]2C)nn1 ZINC000828803659 603444855 /nfs/dbraw/zinc/44/48/55/603444855.db2.gz DJVWLMYMTWZPKP-MRVPVSSYSA-N -1 0 311.298 -0.725 20 0 DBADRM CCCNC(=O)NC(=O)COC(=O)COC1CN(C(=O)[O-])C1 ZINC000826925961 603445038 /nfs/dbraw/zinc/44/50/38/603445038.db2.gz PGHSQBQTPHMBDV-UHFFFAOYSA-N -1 0 317.298 -0.856 20 0 DBADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NCCC(=O)N2CCOCC2)C1 ZINC000832261967 603447379 /nfs/dbraw/zinc/44/73/79/603447379.db2.gz HIZDUANRIVTFQB-MNOVXSKESA-N -1 0 313.354 -0.212 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)NCC(C)(C)NC(=O)[O-])cn1 ZINC000828547110 603450812 /nfs/dbraw/zinc/45/08/12/603450812.db2.gz KQEYTJQQUKZSRJ-UHFFFAOYSA-N -1 0 312.330 -0.203 20 0 DBADRM CN(C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827738229 603456067 /nfs/dbraw/zinc/45/60/67/603456067.db2.gz HSNRXQDTXITOND-UWVGGRQHSA-N -1 0 321.337 -0.027 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000825177195 603461212 /nfs/dbraw/zinc/46/12/12/603461212.db2.gz ICUNGCZGLSKTDV-HRDYMLBCSA-N -1 0 307.372 -0.571 20 0 DBADRM C[C@H](CC(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@@H]1C)NC(=O)[O-] ZINC000824622006 603461390 /nfs/dbraw/zinc/46/13/90/603461390.db2.gz JMFDDDMOKVGIHV-AEJSXWLSSA-N -1 0 321.399 -0.181 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000827519291 603462767 /nfs/dbraw/zinc/46/27/67/603462767.db2.gz SOMLQPCVQVZNDP-LPEHRKFASA-N -1 0 321.399 -0.181 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NC[C@H](O)C1CCOCC1 ZINC000831529884 603472899 /nfs/dbraw/zinc/47/28/99/603472899.db2.gz SOSIJQGLCQTTON-NSHDSACASA-N -1 0 302.327 -0.731 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000828543425 603473448 /nfs/dbraw/zinc/47/34/48/603473448.db2.gz VJGLNXDBLIUJSR-QWRGUYRKSA-N -1 0 312.370 -0.687 20 0 DBADRM COCCCOC1CN(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000828957061 603474575 /nfs/dbraw/zinc/47/45/75/603474575.db2.gz FDMVOYRVDNMGEZ-UHFFFAOYSA-N -1 0 302.327 -0.371 20 0 DBADRM CN(CC(=O)N(C)C1CCC(NC(=O)[O-])CC1)S(C)(=O)=O ZINC000827765046 603476894 /nfs/dbraw/zinc/47/68/94/603476894.db2.gz KYIVRKQBCGMRPV-UHFFFAOYSA-N -1 0 321.399 -0.085 20 0 DBADRM Cc1nc([C@@H]2CN(C(=O)N[C@H]3CCN(C(=O)[O-])C3)CCO2)n[nH]1 ZINC000830678884 603482662 /nfs/dbraw/zinc/48/26/62/603482662.db2.gz RRAPWAUJZCNRQD-UWVGGRQHSA-N -1 0 324.341 -0.052 20 0 DBADRM Cc1nnc([C@@H]2CN(C(=O)NCCCNC(=O)[O-])CCO2)[nH]1 ZINC000830678516 603482870 /nfs/dbraw/zinc/48/28/70/603482870.db2.gz PKWLBQMDKUSLGY-VIFPVBQESA-N -1 0 312.330 -0.146 20 0 DBADRM C[C@@H](CCCO)NC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000824779342 603494747 /nfs/dbraw/zinc/49/47/47/603494747.db2.gz XTDGMDFDLCNTEM-NSHDSACASA-N -1 0 302.375 -0.258 20 0 DBADRM CN1CCN(C(=O)COC[C@H]2CCCO2)[C@@H](CNC(=O)[O-])C1 ZINC000828500200 603510405 /nfs/dbraw/zinc/51/04/05/603510405.db2.gz GWMIGZKNTQBSPW-NWDGAFQWSA-N -1 0 315.370 -0.408 20 0 DBADRM CN(CC(=O)O[C@@H]1CCC[C@@H]1CNC(=O)[O-])S(C)(=O)=O ZINC000828120553 603515233 /nfs/dbraw/zinc/51/52/33/603515233.db2.gz RCKWWHCXBUGNTH-RKDXNWHRSA-N -1 0 308.356 -0.143 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000830846562 603517067 /nfs/dbraw/zinc/51/70/67/603517067.db2.gz PPULKXFGWXZFBN-GFCCVEGCSA-N -1 0 323.397 -0.010 20 0 DBADRM CN1CCN(C(=O)COCC(F)(F)F)[C@@H](CNC(=O)[O-])C1 ZINC000828500864 603518325 /nfs/dbraw/zinc/51/83/25/603518325.db2.gz QDHSLSFZASPBJE-QMMMGPOBSA-N -1 0 313.276 -0.025 20 0 DBADRM COC(=O)NCCCC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000828713118 603521738 /nfs/dbraw/zinc/52/17/38/603521738.db2.gz DMARFBFXQVZJQT-JTQLQIEISA-N -1 0 316.358 -0.467 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)CN(CC2CC2)C(=O)[O-])C1 ZINC000831240396 603524460 /nfs/dbraw/zinc/52/44/60/603524460.db2.gz NOSRHUOGFZNLID-JTQLQIEISA-N -1 0 319.383 -0.344 20 0 DBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)NCCNS(C)(=O)=O ZINC000828142727 603524509 /nfs/dbraw/zinc/52/45/09/603524509.db2.gz QWEDAEJWQSHPHU-UHFFFAOYSA-N -1 0 324.403 -0.529 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000829018616 603525513 /nfs/dbraw/zinc/52/55/13/603525513.db2.gz SEQKDPWJQLDXJJ-VIFPVBQESA-N -1 0 308.356 -0.742 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000831238969 603527134 /nfs/dbraw/zinc/52/71/34/603527134.db2.gz BXPOROFTPAXVNN-DTWKUNHWSA-N -1 0 305.356 -0.734 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000824381609 603530390 /nfs/dbraw/zinc/53/03/90/603530390.db2.gz HRRDXTCYQOOJFU-ZJUUUORDSA-N -1 0 321.399 -0.133 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827476522 603535747 /nfs/dbraw/zinc/53/57/47/603535747.db2.gz ZWMOXCFCDVPQQS-NXEZZACHSA-N -1 0 321.399 -0.132 20 0 DBADRM Cn1cc(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000831008745 603542394 /nfs/dbraw/zinc/54/23/94/603542394.db2.gz AYNUPBOVPILTJY-HTQZYQBOSA-N -1 0 310.310 -0.541 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)NCC(C)(C)NC(=O)[O-] ZINC000826093378 603545181 /nfs/dbraw/zinc/54/51/81/603545181.db2.gz DCEBWHLROKPJPZ-MRVPVSSYSA-N -1 0 307.372 -0.139 20 0 DBADRM CON(C)C(=O)C[C@]1(C(=O)N(C)OC)CCN(C(=O)[O-])C1 ZINC000829056466 603558864 /nfs/dbraw/zinc/55/88/64/603558864.db2.gz XNWOEPQVQOIROA-GFCCVEGCSA-N -1 0 303.315 -0.214 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])CCO2)cn1 ZINC000831000371 603559825 /nfs/dbraw/zinc/55/98/25/603559825.db2.gz XHEDHEYNSWICQE-WOPDTQHZSA-N -1 0 324.337 -0.567 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828162304 603561920 /nfs/dbraw/zinc/56/19/20/603561920.db2.gz MSNRZBRGEDRHGQ-NEPJUHHUSA-N -1 0 315.370 -0.862 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000828573587 603566509 /nfs/dbraw/zinc/56/65/09/603566509.db2.gz UHVAGPFMNHCVBO-SECBINFHSA-N -1 0 307.372 -0.616 20 0 DBADRM CC(C)NC(=O)CN(C)CN1CC2(CN(C(=O)[O-])C2)CC1=O ZINC000824369960 603581554 /nfs/dbraw/zinc/58/15/54/603581554.db2.gz XFWLJDXKXBKVTA-UHFFFAOYSA-N -1 0 312.370 -0.387 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828578546 603584857 /nfs/dbraw/zinc/58/48/57/603584857.db2.gz BRHPCFNTDAXSGL-ZJUUUORDSA-N -1 0 319.383 -0.474 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H]1CS(=O)(=O)NC ZINC000826742474 603585235 /nfs/dbraw/zinc/58/52/35/603585235.db2.gz AULITYKBQBKJBV-NXEZZACHSA-N -1 0 321.399 -0.037 20 0 DBADRM CC(=O)N[C@@H]1CCCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000823575721 603585505 /nfs/dbraw/zinc/58/55/05/603585505.db2.gz XNTCFRFRSHJXTC-GFCCVEGCSA-N -1 0 324.381 -0.243 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)CCCN(C)C(=O)[O-] ZINC000828579655 603585833 /nfs/dbraw/zinc/58/58/33/603585833.db2.gz OQHUCTXNSJZYJU-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)NS(C)(=O)=O ZINC000823900149 603588224 /nfs/dbraw/zinc/58/82/24/603588224.db2.gz CKCATSJUCZDCTC-BDAKNGLRSA-N -1 0 321.399 -0.133 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000828572723 603591426 /nfs/dbraw/zinc/59/14/26/603591426.db2.gz HHNPHYUJJCKPFI-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM Cn1cnc2c1CCN(CN1CC3(CN(C(=O)[O-])C3)CC1=O)C2 ZINC000831041612 603591881 /nfs/dbraw/zinc/59/18/81/603591881.db2.gz WCOXWTZBOKFTJF-UHFFFAOYSA-N -1 0 319.365 -0.052 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000828572613 603593160 /nfs/dbraw/zinc/59/31/60/603593160.db2.gz FQAMPWNXWYGXPX-MRVPVSSYSA-N -1 0 307.372 -0.570 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000828572614 603593252 /nfs/dbraw/zinc/59/32/52/603593252.db2.gz FQAMPWNXWYGXPX-QMMMGPOBSA-N -1 0 307.372 -0.570 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN(C)[C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000828921189 603594385 /nfs/dbraw/zinc/59/43/85/603594385.db2.gz ZUEJYSNNHIPRBD-RNCFNFMXSA-N -1 0 314.342 -0.415 20 0 DBADRM CCN(CC1CCN(C(=O)CS(=O)(=O)NC)CC1)C(=O)[O-] ZINC000827066455 603594749 /nfs/dbraw/zinc/59/47/49/603594749.db2.gz QGTMSIKAAWQQQT-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000828572995 603594921 /nfs/dbraw/zinc/59/49/21/603594921.db2.gz LWQCYAQPIJDJOP-DTWKUNHWSA-N -1 0 307.372 -0.522 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)c1=O ZINC000830964507 603594984 /nfs/dbraw/zinc/59/49/84/603594984.db2.gz TUWDWBUBEKNLAA-QMMMGPOBSA-N -1 0 310.310 -0.394 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2CCN(C(=O)[O-])CC2(C)C)c1=O ZINC000830964740 603595902 /nfs/dbraw/zinc/59/59/02/603595902.db2.gz UXEHGEDYYXGLJW-UHFFFAOYSA-N -1 0 310.310 -0.300 20 0 DBADRM CCCCN(C)S(=O)(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000826829444 603597145 /nfs/dbraw/zinc/59/71/45/603597145.db2.gz BGMPGSHOPGAWQU-NSHDSACASA-N -1 0 322.431 -0.153 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000831245799 603615692 /nfs/dbraw/zinc/61/56/92/603615692.db2.gz MBSWVRZUWVNXHG-UTLUCORTSA-N -1 0 319.383 -0.298 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000831245738 603616018 /nfs/dbraw/zinc/61/60/18/603616018.db2.gz MBSWVRZUWVNXHG-BBBLOLIVSA-N -1 0 319.383 -0.298 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000827852482 603619112 /nfs/dbraw/zinc/61/91/12/603619112.db2.gz PYVFTDJMLKZERD-UWVGGRQHSA-N -1 0 319.383 -0.185 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)C1 ZINC000831199628 603622830 /nfs/dbraw/zinc/62/28/30/603622830.db2.gz FYKJFONAFKBRIL-PSASIEDQSA-N -1 0 313.310 -0.358 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000823951242 603628728 /nfs/dbraw/zinc/62/87/28/603628728.db2.gz HREZCLRLLZXUDZ-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM COC(=O)CCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000828671207 603634879 /nfs/dbraw/zinc/63/48/79/603634879.db2.gz RQQIISRZKDXTBD-UWVGGRQHSA-N -1 0 302.327 -0.051 20 0 DBADRM COC(=O)CCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000828671210 603634966 /nfs/dbraw/zinc/63/49/66/603634966.db2.gz RQQIISRZKDXTBD-ZJUUUORDSA-N -1 0 302.327 -0.051 20 0 DBADRM O=C([O-])N1CCC(=O)[C@H](OC(=O)C[C@@H]2C=CS(=O)(=O)C2)C1 ZINC000831300382 603635161 /nfs/dbraw/zinc/63/51/61/603635161.db2.gz WHAMJXLDWSQSEJ-WCBMZHEXSA-N -1 0 317.319 -0.201 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000831275117 603635570 /nfs/dbraw/zinc/63/55/70/603635570.db2.gz ZKQLIGMPBXXUDZ-MNOVXSKESA-N -1 0 311.338 -0.820 20 0 DBADRM CNC(=O)CN(C)C(=O)C1(NC(=O)[O-])Cc2ccccc2C1 ZINC000828538555 603636548 /nfs/dbraw/zinc/63/65/48/603636548.db2.gz ZOFNKEYNRWOUAH-UHFFFAOYSA-N -1 0 305.334 -0.004 20 0 DBADRM CNC(=O)CN(C)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000828538504 603636730 /nfs/dbraw/zinc/63/67/30/603636730.db2.gz XWBHOOOYUULKIW-UHFFFAOYSA-N -1 0 300.359 -0.735 20 0 DBADRM COCCN(CC(=O)N1CC(=O)Nc2cnccc21)C(=O)[O-] ZINC000828970893 603638307 /nfs/dbraw/zinc/63/83/07/603638307.db2.gz IQJZMDHIMIXRLZ-UHFFFAOYSA-N -1 0 308.294 -0.007 20 0 DBADRM CCCNC(=O)CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000826926362 603638526 /nfs/dbraw/zinc/63/85/26/603638526.db2.gz XCAHTDREZNOCDN-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000828102434 603639937 /nfs/dbraw/zinc/63/99/37/603639937.db2.gz KJVVLKULBDQHDL-BDAKNGLRSA-N -1 0 301.343 -0.527 20 0 DBADRM COC(=O)C[C@H](NC(=O)CC1CN(C(=O)[O-])C1)C(=O)OC ZINC000828647002 603643715 /nfs/dbraw/zinc/64/37/15/603643715.db2.gz OBGLPLYPFFMUOU-QMMMGPOBSA-N -1 0 302.283 -0.793 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)c1C ZINC000830846183 603644945 /nfs/dbraw/zinc/64/49/45/603644945.db2.gz LOBDUGCYZRMSEB-SNVBAGLBSA-N -1 0 323.305 -0.125 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)C(C)(C)CNC(=O)[O-] ZINC000824381598 603646279 /nfs/dbraw/zinc/64/62/79/603646279.db2.gz HMQMJUYVQIADLS-UHFFFAOYSA-N -1 0 309.388 -0.276 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000828427259 603647307 /nfs/dbraw/zinc/64/73/07/603647307.db2.gz XSSGXLUEZVWKFY-BDAKNGLRSA-N -1 0 309.326 -0.704 20 0 DBADRM CCOC(=O)C1(O)CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000827291216 603647543 /nfs/dbraw/zinc/64/75/43/603647543.db2.gz LCGCICHCUYEMNZ-UHFFFAOYSA-N -1 0 318.326 -0.813 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)C(C)(C)CNC(=O)[O-])C2)C1=O ZINC000828444793 603650580 /nfs/dbraw/zinc/65/05/80/603650580.db2.gz IASSDGFFZIKOEZ-ZDUSSCGKSA-N -1 0 312.326 -0.567 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000827846262 603660860 /nfs/dbraw/zinc/66/08/60/603660860.db2.gz HPLSWFYLZVUGKY-ZJUUUORDSA-N -1 0 308.342 -0.013 20 0 DBADRM CC(C)(CNC(=O)Cn1nnc2ccccc2c1=O)NC(=O)[O-] ZINC000823917108 603661129 /nfs/dbraw/zinc/66/11/29/603661129.db2.gz BKTXPHAVVWYOHS-UHFFFAOYSA-N -1 0 319.321 -0.046 20 0 DBADRM C[C@H]1CCCN(C(=O)CN(C)S(C)(=O)=O)[C@H]1CNC(=O)[O-] ZINC000825906753 603662911 /nfs/dbraw/zinc/66/29/11/603662911.db2.gz TXGYPOUNMAGEMW-UWVGGRQHSA-N -1 0 321.399 -0.228 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000823955312 603663385 /nfs/dbraw/zinc/66/33/85/603663385.db2.gz BIPPIYPWPXDPNE-UHFFFAOYSA-N -1 0 300.315 -0.662 20 0 DBADRM Cn1cc(/C=C/C(=O)NCC(C)(C)NC(=O)[O-])c(=O)n(C)c1=O ZINC000831000292 603666707 /nfs/dbraw/zinc/66/67/07/603666707.db2.gz XEJSEPIYQZCRSR-AATRIKPKSA-N -1 0 324.337 -0.740 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NCc2nnnn2C2CC2)C1 ZINC000827858777 603671912 /nfs/dbraw/zinc/67/19/12/603671912.db2.gz SJUAMKJKRGPWJK-SECBINFHSA-N -1 0 309.330 -0.098 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)C(C)(C)CNC(=O)[O-])CCO1 ZINC000823580312 603676870 /nfs/dbraw/zinc/67/68/70/603676870.db2.gz RCHUQJDEXDGSEZ-SNVBAGLBSA-N -1 0 301.343 -0.356 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)C(C)(C)CNC(=O)[O-])C2=O)cn1 ZINC000831004213 603678572 /nfs/dbraw/zinc/67/85/72/603678572.db2.gz DXFBLRJFTNUHPK-SNVBAGLBSA-N -1 0 323.353 -0.065 20 0 DBADRM COC(=O)N1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000828703431 603681045 /nfs/dbraw/zinc/68/10/45/603681045.db2.gz BJKKRTFLGOCLKX-DTWKUNHWSA-N -1 0 301.299 -0.990 20 0 DBADRM Cc1nnc(S[C@H]2CN(C(=O)[O-])CCC2=O)n1CC(N)=O ZINC000830894687 603681753 /nfs/dbraw/zinc/68/17/53/603681753.db2.gz XAQUQEFWQPTFHQ-QMMMGPOBSA-N -1 0 313.339 -0.515 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CCC[C@H](NC(=O)[O-])C2)n1C ZINC000830887541 603686130 /nfs/dbraw/zinc/68/61/30/603686130.db2.gz NBIXAUMWPMUXJY-NSHDSACASA-N -1 0 324.385 -0.186 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CCS(=O)(=O)C2)CCN1C(=O)[O-] ZINC000825999774 603686444 /nfs/dbraw/zinc/68/64/44/603686444.db2.gz BKANTGASNPUUQA-NXEZZACHSA-N -1 0 319.383 -0.185 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000737723683 603687565 /nfs/dbraw/zinc/68/75/65/603687565.db2.gz SCYFQRNXHDKYDU-MRVPVSSYSA-N -1 0 312.326 -0.425 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000828540732 603688806 /nfs/dbraw/zinc/68/88/06/603688806.db2.gz AGULRANZYZDQPV-UHFFFAOYSA-N -1 0 322.321 -0.403 20 0 DBADRM CC(=O)NCC1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000823579814 603693132 /nfs/dbraw/zinc/69/31/32/603693132.db2.gz MBROZZDDCADEJR-VXGBXAGGSA-N -1 0 313.354 -0.526 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000828526350 603698085 /nfs/dbraw/zinc/69/80/85/603698085.db2.gz MLVKJYAGFWHUFP-WDEREUQCSA-N -1 0 315.370 -0.014 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000828537081 603700949 /nfs/dbraw/zinc/70/09/49/603700949.db2.gz AAAJNNQVQOMVLY-UHFFFAOYSA-N -1 0 322.321 -0.355 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000823574964 603702191 /nfs/dbraw/zinc/70/21/91/603702191.db2.gz LCTNEZQOZNVAQW-SRVKXCTJSA-N -1 0 313.354 -0.526 20 0 DBADRM Cn1cc(N2CCN(C(=O)C(C)(C)CNC(=O)[O-])CC2=O)cn1 ZINC000831009519 603702631 /nfs/dbraw/zinc/70/26/31/603702631.db2.gz WPCRDZKHMAQRQS-UHFFFAOYSA-N -1 0 323.353 -0.111 20 0 DBADRM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)CCNC(=O)[O-])C1=O ZINC000828444594 603707617 /nfs/dbraw/zinc/70/76/17/603707617.db2.gz GMHQAJUPNRNZBL-ISVAXAHUSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NC[C@@H]1CCCS1 ZINC000831489552 603709088 /nfs/dbraw/zinc/70/90/88/603709088.db2.gz UGFYVOVTEHLNAM-VIFPVBQESA-N -1 0 301.368 -0.180 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CCN(C(=O)[O-])C3)CCN2C1=O ZINC000827200073 603713531 /nfs/dbraw/zinc/71/35/31/603713531.db2.gz RCZWLRMNAABHSW-ZJUUUORDSA-N -1 0 324.337 -0.519 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000823754521 603715406 /nfs/dbraw/zinc/71/54/06/603715406.db2.gz NMKYMRSIYGHELZ-BDAKNGLRSA-N -1 0 301.343 -0.622 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCCO[C@H]1CCOC1 ZINC000831681056 603715656 /nfs/dbraw/zinc/71/56/56/603715656.db2.gz PNNSDVLGJBJBQL-WDEREUQCSA-N -1 0 302.327 -0.323 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000823754523 603715724 /nfs/dbraw/zinc/71/57/24/603715724.db2.gz NMKYMRSIYGHELZ-IUCAKERBSA-N -1 0 301.343 -0.622 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000831272846 603720687 /nfs/dbraw/zinc/72/06/87/603720687.db2.gz LVKNLNNUBQBSRY-FIQHERPVSA-N -1 0 314.338 -0.494 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CC[C@@]3(CCOC3)C2)C(=O)C1 ZINC000832031721 603720691 /nfs/dbraw/zinc/72/06/91/603720691.db2.gz YITLEBJXRCECQB-CQSZACIVSA-N -1 0 311.338 -0.552 20 0 DBADRM C[C@@H](CC(=O)N1CCN(c2nccn(C)c2=O)CC1)NC(=O)[O-] ZINC000824599509 603726177 /nfs/dbraw/zinc/72/61/77/603726177.db2.gz OGISSEIPRBYTLZ-JTQLQIEISA-N -1 0 323.353 -0.525 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCC(C2OCCO2)CC1 ZINC000831273600 603731364 /nfs/dbraw/zinc/73/13/64/603731364.db2.gz ROLSBVLXQXCXAV-QWRGUYRKSA-N -1 0 314.338 -0.289 20 0 DBADRM CC(C)(C(=O)N1CCCNC(=O)C1)N1CCN(C(=O)[O-])CC1 ZINC000823738681 603736121 /nfs/dbraw/zinc/73/61/21/603736121.db2.gz ZSHNCYTUFYVDHG-UHFFFAOYSA-N -1 0 312.370 -0.591 20 0 DBADRM CN(CC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O)C(=O)[O-] ZINC000828108965 603736838 /nfs/dbraw/zinc/73/68/38/603736838.db2.gz ZWMGEFXDLIVEDP-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM CCN(CC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O)C(=O)[O-] ZINC000827002800 603736924 /nfs/dbraw/zinc/73/69/24/603736924.db2.gz SSGWSODXPSNDLR-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000829797045 603737514 /nfs/dbraw/zinc/73/75/14/603737514.db2.gz YDAOXDXNXBRREH-HRDYMLBCSA-N -1 0 307.372 -0.523 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CCNC(=O)[O-] ZINC000829687891 603737532 /nfs/dbraw/zinc/73/75/32/603737532.db2.gz OVFIBQNWFLSPKT-RKDXNWHRSA-N -1 0 307.372 -0.522 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@H]2CCSC2)CC1 ZINC000831615861 603739003 /nfs/dbraw/zinc/73/90/03/603739003.db2.gz HTDOXCBVHBZPTM-VIFPVBQESA-N -1 0 316.383 -0.387 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])CC2 ZINC000830799356 603739045 /nfs/dbraw/zinc/73/90/45/603739045.db2.gz MUPFBMSAOWMIBF-BBBLOLIVSA-N -1 0 309.326 -0.869 20 0 DBADRM NC(=O)CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000831185602 603739159 /nfs/dbraw/zinc/73/91/59/603739159.db2.gz WLCGCYRTQHCRPQ-AXFHLTTASA-N -1 0 313.354 -0.396 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])CC2 ZINC000830799359 603739227 /nfs/dbraw/zinc/73/92/27/603739227.db2.gz MUPFBMSAOWMIBF-KXUCPTDWSA-N -1 0 309.326 -0.869 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@@H]2CCSC2)CC1 ZINC000831615860 603739420 /nfs/dbraw/zinc/73/94/20/603739420.db2.gz HTDOXCBVHBZPTM-SECBINFHSA-N -1 0 316.383 -0.387 20 0 DBADRM CN(C(=O)COC1CN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000827776128 603741769 /nfs/dbraw/zinc/74/17/69/603741769.db2.gz YMILTLKETFIIMZ-QMMMGPOBSA-N -1 0 306.340 -0.989 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CC(Oc2ccncc2)C1 ZINC000831273076 603742995 /nfs/dbraw/zinc/74/29/95/603742995.db2.gz NXZKTOZAEAZSHJ-SKDRFNHKSA-N -1 0 307.306 -0.216 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)CC(C)(C)NC(=O)[O-] ZINC000828313109 603742997 /nfs/dbraw/zinc/74/29/97/603742997.db2.gz VTESHQIJHFZSSJ-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CC(Oc2ccncc2)C1 ZINC000831273074 603743264 /nfs/dbraw/zinc/74/32/64/603743264.db2.gz NXZKTOZAEAZSHJ-CABZTGNLSA-N -1 0 307.306 -0.216 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000825179289 603745659 /nfs/dbraw/zinc/74/56/59/603745659.db2.gz YDAOXDXNXBRREH-CIUDSAMLSA-N -1 0 307.372 -0.523 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000825179290 603745714 /nfs/dbraw/zinc/74/57/14/603745714.db2.gz YDAOXDXNXBRREH-DJLDLDEBSA-N -1 0 307.372 -0.523 20 0 DBADRM CC1(C)COCCN1CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000825735164 603746048 /nfs/dbraw/zinc/74/60/48/603746048.db2.gz WIWQLIVTASUYCK-GHMZBOCLSA-N -1 0 315.370 -0.673 20 0 DBADRM Cn1cc(N2CCC[C@H](NC(=O)NCCNC(=O)[O-])C2)cn1 ZINC000831009543 603746706 /nfs/dbraw/zinc/74/67/06/603746706.db2.gz XPODDXVOHCLJAI-JTQLQIEISA-N -1 0 310.358 -0.044 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCCN1CCOC1=O ZINC000831676432 603747113 /nfs/dbraw/zinc/74/71/13/603747113.db2.gz OYJQPARKUQTJDM-IUCAKERBSA-N -1 0 301.299 -0.942 20 0 DBADRM O=C([O-])N1CC(OCC(=O)NCCCNc2ncccn2)C1 ZINC000831533545 603748224 /nfs/dbraw/zinc/74/82/24/603748224.db2.gz NSKCOHDDJYQRMT-UHFFFAOYSA-N -1 0 309.326 -0.226 20 0 DBADRM C[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)C(=O)NC(C)(C)C ZINC000825125672 603748530 /nfs/dbraw/zinc/74/85/30/603748530.db2.gz AYFOVSJIFUBBFM-MRVPVSSYSA-N -1 0 301.343 -0.215 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)COC1CN(C(=O)[O-])C1 ZINC000827470974 603753064 /nfs/dbraw/zinc/75/30/64/603753064.db2.gz GIDREHWCUGUQRI-VIFPVBQESA-N -1 0 322.383 -0.353 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)S(=O)(=O)CC1CC1 ZINC000828096096 603754496 /nfs/dbraw/zinc/75/44/96/603754496.db2.gz WFVYVWQAQUZEQQ-UHFFFAOYSA-N -1 0 319.383 -0.520 20 0 DBADRM CC(C)(C(=O)N1CC[C@@H](C(N)=O)C1)N1CCN(C(=O)[O-])CC1 ZINC000823738587 603757489 /nfs/dbraw/zinc/75/74/89/603757489.db2.gz ZCHMHEWHPXLWST-SNVBAGLBSA-N -1 0 312.370 -0.606 20 0 DBADRM C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])[C@H](C)N1CCOCC1 ZINC000825081546 603757545 /nfs/dbraw/zinc/75/75/45/603757545.db2.gz FECDEQAUGHETJL-YFKTTZPYSA-N -1 0 315.370 -0.675 20 0 DBADRM O=C([O-])NCC1(C(=O)OCC(=O)N2CCNC2=O)CCCC1 ZINC000832447671 603759107 /nfs/dbraw/zinc/75/91/07/603759107.db2.gz SHDHGKUWOVEXPW-UHFFFAOYSA-N -1 0 313.310 -0.091 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000824034533 603761683 /nfs/dbraw/zinc/76/16/83/603761683.db2.gz DVRSRGGJPSAZRY-GHMZBOCLSA-N -1 0 315.370 -0.985 20 0 DBADRM CN(C)C(=O)C1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000827954213 603763757 /nfs/dbraw/zinc/76/37/57/603763757.db2.gz QFEYUYHTBZMCJH-UHFFFAOYSA-N -1 0 313.354 -0.308 20 0 DBADRM COC(=O)[C@@]1(F)CCN(C(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000828619346 603765117 /nfs/dbraw/zinc/76/51/17/603765117.db2.gz VXNGDAFIEXFICU-PRHODGIISA-N -1 0 304.274 -0.521 20 0 DBADRM CC(C)(CNC(=O)N1CCC(NC(N)=O)CC1)NC(=O)[O-] ZINC000823918448 603765740 /nfs/dbraw/zinc/76/57/40/603765740.db2.gz WAPJYBMLGAVZDD-UHFFFAOYSA-N -1 0 301.347 -0.125 20 0 DBADRM NC(=O)c1cccc(CCNC(=O)COC2CN(C(=O)[O-])C2)c1 ZINC000831234857 603766758 /nfs/dbraw/zinc/76/67/58/603766758.db2.gz XQIBVRDYCHJPGM-UHFFFAOYSA-N -1 0 321.333 -0.177 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000827046353 603769693 /nfs/dbraw/zinc/76/96/93/603769693.db2.gz SWLJCLYXKHAAGN-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000824282622 603771804 /nfs/dbraw/zinc/77/18/04/603771804.db2.gz BLTCURCXNCAPPB-SNVBAGLBSA-N -1 0 321.351 -0.078 20 0 DBADRM C[C@@H](C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O)N1C(=O)CCC1=O ZINC000823731272 603771837 /nfs/dbraw/zinc/77/18/37/603771837.db2.gz LEFOBXNQEUKJOQ-CBAPKCEASA-N -1 0 312.278 -0.612 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)CC(C)(C)NC(=O)[O-])C1 ZINC000827961252 603772228 /nfs/dbraw/zinc/77/22/28/603772228.db2.gz SBNNFLJRLVGZPG-UHFFFAOYSA-N -1 0 301.343 -0.262 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)CC2(NC(=O)[O-])CCC2)C1 ZINC000827959787 603772245 /nfs/dbraw/zinc/77/22/45/603772245.db2.gz DAGSIKNEUBPCHB-UHFFFAOYSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000827960576 603772281 /nfs/dbraw/zinc/77/22/81/603772281.db2.gz LAVROVPSFMSZMN-CYBMUJFWSA-N -1 0 317.317 -0.606 20 0 DBADRM CCOCCN1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000827399890 603777241 /nfs/dbraw/zinc/77/72/41/603777241.db2.gz SFRBZSNGQZHERZ-NWDGAFQWSA-N -1 0 315.370 -0.720 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)NC[C@@H]2CCCN2C(=O)[O-])cn1 ZINC000830993623 603777925 /nfs/dbraw/zinc/77/79/25/603777925.db2.gz KMUGKMWJFOOUJV-WDEREUQCSA-N -1 0 311.342 -0.105 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000824430867 603781165 /nfs/dbraw/zinc/78/11/65/603781165.db2.gz BGYVBLVNYHAJIA-VIFPVBQESA-N -1 0 307.324 -0.326 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N[C@H]2CCN(C(=O)[O-])C2)n1C ZINC000830887474 603781546 /nfs/dbraw/zinc/78/15/46/603781546.db2.gz LOCTUBPAMPAJSQ-JTQLQIEISA-N -1 0 310.358 -0.576 20 0 DBADRM CC(C)[C@@H](OC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)NC(N)=O ZINC000824151591 603784779 /nfs/dbraw/zinc/78/47/79/603784779.db2.gz YUDCDVCTLQKQJE-KRTXAFLBSA-N -1 0 319.289 -0.159 20 0 DBADRM NS(=O)(=O)CCCOC(=O)CC1CCN(C(=O)[O-])CC1 ZINC000831245974 603785809 /nfs/dbraw/zinc/78/58/09/603785809.db2.gz NGSDXUDHADRVQU-UHFFFAOYSA-N -1 0 308.356 -0.012 20 0 DBADRM CS(=O)(=O)Cc1nc(COC(=O)CNC(=O)[O-])cs1 ZINC000829679529 603786191 /nfs/dbraw/zinc/78/61/91/603786191.db2.gz OZBJKGIYXWLJMV-UHFFFAOYSA-N -1 0 308.337 -0.002 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])CC(F)(F)F ZINC000828320921 603786418 /nfs/dbraw/zinc/78/64/18/603786418.db2.gz AAKCVVUEVCRYNP-HTQZYQBOSA-N -1 0 313.276 -0.290 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)OCCN2C(=O)CCC2=O)C1 ZINC000831914681 603788084 /nfs/dbraw/zinc/78/80/84/603788084.db2.gz NMULJEBBGNRPIP-LBPRGKRZSA-N -1 0 302.258 -0.229 20 0 DBADRM Cc1cc(C)n(C2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])C2)n1 ZINC000830017228 603788432 /nfs/dbraw/zinc/78/84/32/603788432.db2.gz NKHNLJFAAPJSTE-NEPJUHHUSA-N -1 0 308.338 -0.004 20 0 DBADRM Cc1cc(C)n(C2CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])C2)n1 ZINC000830017234 603788748 /nfs/dbraw/zinc/78/87/48/603788748.db2.gz NKHNLJFAAPJSTE-RYUDHWBXSA-N -1 0 308.338 -0.004 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000828493711 603790397 /nfs/dbraw/zinc/79/03/97/603790397.db2.gz BWRJTJIRDQZIIB-UHFFFAOYSA-N -1 0 312.370 -0.733 20 0 DBADRM CC[C@@H](NC(=O)C(C)(C)NC(=O)[O-])C(=O)N1CCOCC1 ZINC000826593502 603790588 /nfs/dbraw/zinc/79/05/88/603790588.db2.gz QHFPZDDCGAWWCS-SECBINFHSA-N -1 0 301.343 -0.214 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828676232 603790672 /nfs/dbraw/zinc/79/06/72/603790672.db2.gz WCVVLHMKCOJCJR-LBPRGKRZSA-N -1 0 320.273 -0.699 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000828599898 603790668 /nfs/dbraw/zinc/79/06/68/603790668.db2.gz FMHGGAMFAIOSPB-DTWKUNHWSA-N -1 0 308.356 -0.143 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC000828601738 603790675 /nfs/dbraw/zinc/79/06/75/603790675.db2.gz QPLNFVZAXKAOCA-BDAKNGLRSA-N -1 0 308.356 -0.143 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000828606602 603791068 /nfs/dbraw/zinc/79/10/68/603791068.db2.gz CBFQXLVWECMQMI-RKDXNWHRSA-N -1 0 308.356 -0.143 20 0 DBADRM CC[C@H](NC(=O)C(C)(C)NC(=O)[O-])C(=O)N1CCOCC1 ZINC000826593504 603791047 /nfs/dbraw/zinc/79/10/47/603791047.db2.gz QHFPZDDCGAWWCS-VIFPVBQESA-N -1 0 301.343 -0.214 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)CC1CN(C(=O)[O-])C1 ZINC000831246609 603791351 /nfs/dbraw/zinc/79/13/51/603791351.db2.gz RJNHJHWLEVHJLC-VIFPVBQESA-N -1 0 305.356 -0.734 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000828607765 603791596 /nfs/dbraw/zinc/79/15/96/603791596.db2.gz MEYQXPNYCZGIFC-APPZFPTMSA-N -1 0 308.356 -0.239 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)OCC(=O)NC2CCOCC2)C1 ZINC000831497968 603795516 /nfs/dbraw/zinc/79/55/16/603795516.db2.gz LBDOURZRPDKADZ-ZDUSSCGKSA-N -1 0 318.301 -0.083 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000825698901 603798475 /nfs/dbraw/zinc/79/84/75/603798475.db2.gz ZTYFBDSTNKCKTA-QMMMGPOBSA-N -1 0 312.326 -0.425 20 0 DBADRM NC(=O)c1ccc(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)nc1 ZINC000831222987 603799314 /nfs/dbraw/zinc/79/93/14/603799314.db2.gz UEICPVDPUBNJIC-SNVBAGLBSA-N -1 0 307.262 -0.341 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(CC(=O)NCC(=O)N2CCCC2)C1 ZINC000827883436 603801647 /nfs/dbraw/zinc/80/16/47/603801647.db2.gz YCVLYHHBVOTDKI-LLVKDONJSA-N -1 0 312.370 -0.591 20 0 DBADRM COC(=O)[C@]1(F)CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000828619223 603803625 /nfs/dbraw/zinc/80/36/25/603803625.db2.gz SZQZCTXPYPCMFN-SXMVTHIZSA-N -1 0 304.274 -0.787 20 0 DBADRM O=C([O-])N1CC2(C1)CC(=O)N(CN1CCN(C3CC3)C(=O)C1)C2 ZINC000831858603 603809230 /nfs/dbraw/zinc/80/92/30/603809230.db2.gz OBEJQSSEJZSSMO-UHFFFAOYSA-N -1 0 322.365 -0.537 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(Cc2nc(CS(C)(=O)=O)no2)C1 ZINC000827890377 603815178 /nfs/dbraw/zinc/81/51/78/603815178.db2.gz PXODRVLWLCFQFO-QMMMGPOBSA-N -1 0 318.355 -0.202 20 0 DBADRM CN(C(=O)[C@]1(F)CCN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000827739604 603817224 /nfs/dbraw/zinc/81/72/24/603817224.db2.gz QFSPQAXOHLLSPL-KCJUWKMLSA-N -1 0 308.331 -0.276 20 0 DBADRM CC(C)c1nncn1CCNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000824511444 603818585 /nfs/dbraw/zinc/81/85/85/603818585.db2.gz SODOOBFFVNXIMX-JTQLQIEISA-N -1 0 311.342 -0.104 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000825778935 603818649 /nfs/dbraw/zinc/81/86/49/603818649.db2.gz UGUAISOAOZFHBV-UTINFBMNSA-N -1 0 320.367 -0.866 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000829797018 603819177 /nfs/dbraw/zinc/81/91/77/603819177.db2.gz LAHMPNJMCTVLTO-RBDZCENOSA-N -1 0 312.326 -0.521 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000824130411 603820852 /nfs/dbraw/zinc/82/08/52/603820852.db2.gz XFFJLGNDXKDFLD-NSHDSACASA-N -1 0 301.343 -0.406 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000829683913 603821536 /nfs/dbraw/zinc/82/15/36/603821536.db2.gz YNZJUZWTZRRARY-LLVKDONJSA-N -1 0 323.346 -0.818 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@@H]2CCCCN2C(=O)[O-])C1 ZINC000827961167 603821710 /nfs/dbraw/zinc/82/17/10/603821710.db2.gz RBCIHNUKTUAIOF-NSHDSACASA-N -1 0 313.354 -0.166 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000829675080 603822370 /nfs/dbraw/zinc/82/23/70/603822370.db2.gz VHHIUJLBXHNHMI-ZJUUUORDSA-N -1 0 322.383 -0.400 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000829669903 603822605 /nfs/dbraw/zinc/82/26/05/603822605.db2.gz RLWSYGRYYXVXOE-DTWKUNHWSA-N -1 0 320.367 -0.959 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000831806345 603825237 /nfs/dbraw/zinc/82/52/37/603825237.db2.gz NXDIZPVUKXCOEQ-UWVGGRQHSA-N -1 0 318.293 -0.286 20 0 DBADRM CC(C)CNC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000824262654 603826266 /nfs/dbraw/zinc/82/62/66/603826266.db2.gz DYYIGLXQBNBYLJ-IVZWLZJFSA-N -1 0 302.327 -0.197 20 0 DBADRM C[C@H](OC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])C(=O)NC(C)(C)C ZINC000825552427 603828632 /nfs/dbraw/zinc/82/86/32/603828632.db2.gz PJCGXMJVKZVREA-XHNCKOQMSA-N -1 0 302.327 -0.054 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000831272523 603831068 /nfs/dbraw/zinc/83/10/68/603831068.db2.gz KDMNKNUPGHWOGQ-MHYGZLNHSA-N -1 0 312.244 -0.375 20 0 DBADRM CC1N=NC(=S)N1CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000830894729 603833980 /nfs/dbraw/zinc/83/39/80/603833980.db2.gz XKMRGVBQCNWWEP-YUMQZZPRSA-N -1 0 315.355 -0.895 20 0 DBADRM CC1N=NC(=S)N1CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000830894728 603834335 /nfs/dbraw/zinc/83/43/35/603834335.db2.gz XKMRGVBQCNWWEP-SFYZADRCSA-N -1 0 315.355 -0.895 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000828162345 603840308 /nfs/dbraw/zinc/84/03/08/603840308.db2.gz NQALSCLCIANLGE-LBPRGKRZSA-N -1 0 314.386 -0.306 20 0 DBADRM NC(=O)c1nccnc1C(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000831238945 603843746 /nfs/dbraw/zinc/84/37/46/603843746.db2.gz BUDKRLMVHPKALC-JGVFFNPUSA-N -1 0 307.310 -0.258 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000828881413 603845863 /nfs/dbraw/zinc/84/58/63/603845863.db2.gz ZOXFUXBSBDXFPP-CYBMUJFWSA-N -1 0 317.317 -0.604 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCCn2cccc2)CC1 ZINC000831709002 603847095 /nfs/dbraw/zinc/84/70/95/603847095.db2.gz NBDNVLCDLCMDSE-UHFFFAOYSA-N -1 0 323.353 -0.391 20 0 DBADRM CCCOC(=O)[C@H](C)OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000826931847 603853789 /nfs/dbraw/zinc/85/37/89/603853789.db2.gz XFGVSMBKKYBACO-VIFPVBQESA-N -1 0 316.310 -0.307 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)C(=O)NC(N)=O ZINC000825559430 603855141 /nfs/dbraw/zinc/85/51/41/603855141.db2.gz DBBUWUDCFQIPCN-BIIVOSGPSA-N -1 0 301.299 -0.061 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000824387379 603857951 /nfs/dbraw/zinc/85/79/51/603857951.db2.gz DTRLNQIOLYNOCK-UTLUCORTSA-N -1 0 302.327 -0.197 20 0 DBADRM COCCOC[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000829002551 603861432 /nfs/dbraw/zinc/86/14/32/603861432.db2.gz WXXCAABBQCORRW-IJLUTSLNSA-N -1 0 316.354 -0.389 20 0 DBADRM C[C@]1(C(=O)N2CCN(S(C)(=O)=O)CC2)CCN(C(=O)[O-])C1 ZINC000825657261 603867354 /nfs/dbraw/zinc/86/73/54/603867354.db2.gz QNKUOTJFRNZGGB-LBPRGKRZSA-N -1 0 319.383 -0.520 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CCN2C(=O)NC[C@H]2C1)NC(=O)[O-] ZINC000824117678 603868467 /nfs/dbraw/zinc/86/84/67/603868467.db2.gz QVSGCOBLNYXANZ-VHSXEESVSA-N -1 0 313.358 -0.302 20 0 DBADRM C[C@H]1CN(CCNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000826057090 603870012 /nfs/dbraw/zinc/87/00/12/603870012.db2.gz GMAZUQZYFGTNAB-GXFFZTMASA-N -1 0 303.334 -0.085 20 0 DBADRM O=C(CC1CN(C(=O)[O-])C1)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000831356092 603870816 /nfs/dbraw/zinc/87/08/16/603870816.db2.gz VFGPMBOIOPWYGN-XPTSAGLGSA-N -1 0 324.337 -0.519 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)n1C ZINC000830887515 603873377 /nfs/dbraw/zinc/87/33/77/603873377.db2.gz MMGUGWDHUOQLJX-NSHDSACASA-N -1 0 324.385 -0.234 20 0 DBADRM Cc1nonc1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000830929664 603874290 /nfs/dbraw/zinc/87/42/90/603874290.db2.gz ICUBLBLKNWNRDS-UHFFFAOYSA-N -1 0 309.282 -0.058 20 0 DBADRM Cn1cncc1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000831045841 603876343 /nfs/dbraw/zinc/87/63/43/603876343.db2.gz BFTWIHQVDHPABN-UHFFFAOYSA-N -1 0 307.310 -0.016 20 0 DBADRM C[C@]1(C(=O)NCC2(C(N)=O)CCOCC2)CCN(C(=O)[O-])C1 ZINC000825663281 603879134 /nfs/dbraw/zinc/87/91/34/603879134.db2.gz NKZCMSWXKUIUNC-ZDUSSCGKSA-N -1 0 313.354 -0.225 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000830978796 603879872 /nfs/dbraw/zinc/87/98/72/603879872.db2.gz MYBKBDFZFRCFLO-JTQLQIEISA-N -1 0 303.319 -0.188 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])CC2)cn1 ZINC000831009408 603884128 /nfs/dbraw/zinc/88/41/28/603884128.db2.gz TWQKIVOWMDPEQT-NEPJUHHUSA-N -1 0 323.353 -0.818 20 0 DBADRM CNC(=O)CC1CCN(C(=O)CN(CCOC)C(=O)[O-])CC1 ZINC000828531402 603886279 /nfs/dbraw/zinc/88/62/79/603886279.db2.gz HCJDCOUJAOVBRQ-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM CC1(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)CCOCC1 ZINC000825748622 603886237 /nfs/dbraw/zinc/88/62/37/603886237.db2.gz AFBLJBIVUXZZHI-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM CCOC(=O)CN(C)S(=O)(=O)N1CCN(C(=O)[O-])CC1 ZINC000827312102 603893390 /nfs/dbraw/zinc/89/33/90/603893390.db2.gz AGMIZPOZFYVMOD-UHFFFAOYSA-N -1 0 309.344 -0.978 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000831896821 603893745 /nfs/dbraw/zinc/89/37/45/603893745.db2.gz YDGHQCOOEBXHFB-KWQFWETISA-N -1 0 308.331 -0.228 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000831246360 603894923 /nfs/dbraw/zinc/89/49/23/603894923.db2.gz QAIRWPCDUIGMHH-KWQFWETISA-N -1 0 323.346 -0.642 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000831246358 603895106 /nfs/dbraw/zinc/89/51/06/603895106.db2.gz QAIRWPCDUIGMHH-GZMMTYOYSA-N -1 0 323.346 -0.642 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000828950951 603898008 /nfs/dbraw/zinc/89/80/08/603898008.db2.gz YBIQDWLMJXNGSD-CQSZACIVSA-N -1 0 315.370 -0.013 20 0 DBADRM CCCC[C@H](CNC(=O)[O-])NC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000826794002 603899639 /nfs/dbraw/zinc/89/96/39/603899639.db2.gz GITNTTVIWSGSFI-ZJUUUORDSA-N -1 0 316.358 -0.292 20 0 DBADRM C[C@@]1(C(=O)NCCN2CCCS2(=O)=O)CCN(C(=O)[O-])C1 ZINC000825663922 603901556 /nfs/dbraw/zinc/90/15/56/603901556.db2.gz UBVVHJDPRRRMNX-GFCCVEGCSA-N -1 0 319.383 -0.472 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000827248487 603901768 /nfs/dbraw/zinc/90/17/68/603901768.db2.gz BZUMULOJXICXKH-SFYZADRCSA-N -1 0 317.298 -0.857 20 0 DBADRM Cc1cc(NC(=O)COC(=O)[C@@H]2COCCN2C(=O)[O-])no1 ZINC000830107229 603905366 /nfs/dbraw/zinc/90/53/66/603905366.db2.gz IXKORLCZTWTGIF-QMMMGPOBSA-N -1 0 313.266 -0.156 20 0 DBADRM C[C@H](OC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C(=O)NC(N)=O ZINC000825591980 603910991 /nfs/dbraw/zinc/91/09/91/603910991.db2.gz DUJDJAXEQDYTPW-YUMQZZPRSA-N -1 0 317.298 -0.728 20 0 DBADRM CCN(C)S(=O)(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000826992320 603911176 /nfs/dbraw/zinc/91/11/76/603911176.db2.gz HHFODVMDICCQHP-UHFFFAOYSA-N -1 0 308.404 -0.542 20 0 DBADRM COC[C@H](C)S(=O)(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000828904146 603912499 /nfs/dbraw/zinc/91/24/99/603912499.db2.gz SDSWZIPWSCOFNJ-NSHDSACASA-N -1 0 323.415 -0.374 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)NCCNC(=O)[O-])o1 ZINC000829686976 603915635 /nfs/dbraw/zinc/91/56/35/603915635.db2.gz HSOUKFIDEZUMFD-UHFFFAOYSA-N -1 0 305.312 -0.674 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000825508096 603921257 /nfs/dbraw/zinc/92/12/57/603921257.db2.gz GNZCISZBCBFSOB-LPEHRKFASA-N -1 0 321.399 -0.133 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)OC ZINC000828646406 603921440 /nfs/dbraw/zinc/92/14/40/603921440.db2.gz IPXCFWAKDKGAOX-MADCSZMMSA-N -1 0 320.273 -0.701 20 0 DBADRM C[C@H](COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])CS(C)(=O)=O ZINC000824980463 603924996 /nfs/dbraw/zinc/92/49/96/603924996.db2.gz PFYHGDLEGCOGER-VGMNWLOBSA-N -1 0 309.340 -0.677 20 0 DBADRM CCC(O)(CC)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000826620903 603926063 /nfs/dbraw/zinc/92/60/63/603926063.db2.gz WDMSJSJJXFKGLN-UHFFFAOYSA-N -1 0 301.343 -0.524 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@]2(C)CCN(C(=O)[O-])C2)CCO1 ZINC000828639273 603926364 /nfs/dbraw/zinc/92/63/64/603926364.db2.gz FORDPVYCUHTWSR-ZANVPECISA-N -1 0 300.311 -0.223 20 0 DBADRM CC(C)(CNC(=O)NC[C@@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000823930879 603930427 /nfs/dbraw/zinc/93/04/27/603930427.db2.gz QLAIRYHQDXVLAY-QMMMGPOBSA-N -1 0 307.372 -0.234 20 0 DBADRM O=C(C[C@H]1CCCN1C(=O)[O-])OCC(=O)N1CCOCC1 ZINC000831345332 603931290 /nfs/dbraw/zinc/93/12/90/603931290.db2.gz BXHBUSBKLRVCJJ-SNVBAGLBSA-N -1 0 300.311 -0.079 20 0 DBADRM C[C@@]1(C(=O)NCCCN2C(=O)CNC2=O)CCN(C(=O)[O-])C1 ZINC000825662205 603933989 /nfs/dbraw/zinc/93/39/89/603933989.db2.gz DIWJMZIQUMITHT-CYBMUJFWSA-N -1 0 312.326 -0.566 20 0 DBADRM CC(C)(CNC(=O)[C@]1(C)CCN(C(=O)[O-])C1)NS(C)(=O)=O ZINC000823900144 603935312 /nfs/dbraw/zinc/93/53/12/603935312.db2.gz CGAUAFGFGKRPNR-GFCCVEGCSA-N -1 0 321.399 -0.180 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000828971480 603940945 /nfs/dbraw/zinc/94/09/45/603940945.db2.gz XOYSKQHJEXFKMI-AWEZNQCLSA-N -1 0 315.370 -0.060 20 0 DBADRM C[C@]1(C(=O)N2CCO[C@@H](Cn3cncn3)C2)CCN(C(=O)[O-])C1 ZINC000825656574 603947718 /nfs/dbraw/zinc/94/77/18/603947718.db2.gz GSOKLTFTKOCLOA-RISCZKNCSA-N -1 0 323.353 -0.105 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000828683124 603948675 /nfs/dbraw/zinc/94/86/75/603948675.db2.gz GXLAWGVUEUMBKS-DTWKUNHWSA-N -1 0 316.310 -0.260 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000828552431 603949024 /nfs/dbraw/zinc/94/90/24/603949024.db2.gz QRNGFUAKUSHBBJ-JGVFFNPUSA-N -1 0 301.299 -0.094 20 0 DBADRM C[C@]1(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CCN(C(=O)[O-])C1 ZINC000825651319 603949264 /nfs/dbraw/zinc/94/92/64/603949264.db2.gz XJSSYDYOJANEJZ-SKDRFNHKSA-N -1 0 319.383 -0.344 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000825003004 603958883 /nfs/dbraw/zinc/95/88/83/603958883.db2.gz XYYXVZACOKIOCB-YTWAJWBKSA-N -1 0 302.327 -0.590 20 0 DBADRM O=C([O-])N1CC(OCC(=O)Nc2cccc(-n3cnnn3)c2)C1 ZINC000831542301 603972321 /nfs/dbraw/zinc/97/23/21/603972321.db2.gz UMYAOYFXTUGBGP-UHFFFAOYSA-N -1 0 318.293 -0.020 20 0 DBADRM COC(=O)CCNC(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000828674597 603981033 /nfs/dbraw/zinc/98/10/33/603981033.db2.gz CZVFINYGRHBIJH-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])N1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000832018569 603984159 /nfs/dbraw/zinc/98/41/59/603984159.db2.gz NRTRFZPQNCKFDL-SECBINFHSA-N -1 0 307.310 -0.415 20 0 DBADRM O=C(CN(CC1CC1)C(=O)[O-])OCC(=O)N1CCOCC1 ZINC000831468556 603984402 /nfs/dbraw/zinc/98/44/02/603984402.db2.gz LSDMHCKKYOQNCF-UHFFFAOYSA-N -1 0 300.311 -0.222 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)n[nH]1 ZINC000828700483 603984740 /nfs/dbraw/zinc/98/47/40/603984740.db2.gz WDBRHDFZTYZURH-NKWVEPMBSA-N -1 0 311.298 -0.105 20 0 DBADRM CC(=O)NCC1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000823579410 603986690 /nfs/dbraw/zinc/98/66/90/603986690.db2.gz HTLYDROZMCYMFH-UHFFFAOYSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCO[C@H](CO)C1 ZINC000832757300 603989994 /nfs/dbraw/zinc/98/99/94/603989994.db2.gz ARTOFOKMWWSVPH-KKUMJFAQSA-N -1 0 324.377 -0.081 20 0 DBADRM C[C@](NC(=O)COC1CN(C(=O)[O-])C1)(C(N)=O)c1ccccc1 ZINC000825128342 603990898 /nfs/dbraw/zinc/99/08/98/603990898.db2.gz RAKFYVLQLIVXEJ-OAHLLOKOSA-N -1 0 321.333 -0.118 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000831199681 604005208 /nfs/dbraw/zinc/00/52/08/604005208.db2.gz GVGPVLOLNPURQQ-UHFFFAOYSA-N -1 0 300.315 -0.486 20 0 DBADRM Cc1nc(C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)c[nH]1 ZINC000830703818 604005304 /nfs/dbraw/zinc/00/53/04/604005304.db2.gz JBSRGDQLMUISJT-UHFFFAOYSA-N -1 0 320.313 -0.111 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000831199853 604005722 /nfs/dbraw/zinc/00/57/22/604005722.db2.gz LCULGDMCWMSYTR-SNVBAGLBSA-N -1 0 322.321 -0.261 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)COC1CN(C(=O)[O-])C1 ZINC000825016808 604006805 /nfs/dbraw/zinc/00/68/05/604006805.db2.gz TYBNFFOXLMIMFJ-MRVPVSSYSA-N -1 0 308.356 -0.743 20 0 DBADRM CN(C(=O)NCCS(C)(=O)=O)C1CCN(C(=O)[O-])CC1 ZINC000827801164 604010537 /nfs/dbraw/zinc/01/05/37/604010537.db2.gz HEWGSHNEJVUMFI-UHFFFAOYSA-N -1 0 307.372 -0.185 20 0 DBADRM CC(C)c1nncn1CCNC(=O)COC1CN(C(=O)[O-])C1 ZINC000824511144 604012534 /nfs/dbraw/zinc/01/25/34/604012534.db2.gz OQEJTKUCSVKBDQ-UHFFFAOYSA-N -1 0 311.342 -0.104 20 0 DBADRM O=C([O-])N1CC(OCC(=O)NCC[C@H](O)C(F)(F)F)C1 ZINC000831534169 604013021 /nfs/dbraw/zinc/01/30/21/604013021.db2.gz VLJVPGRVLNUSBW-ZETCQYMHSA-N -1 0 300.233 -0.205 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)OCC(=O)N2CCNC2=O)o1 ZINC000832710445 604016468 /nfs/dbraw/zinc/01/64/68/604016468.db2.gz OQJHDFRJLSONIJ-UHFFFAOYSA-N -1 0 311.250 -0.244 20 0 DBADRM C[C@@H]1CN(Cn2nnc3c(cnn3C)c2=O)CCN1C(=O)[O-] ZINC000826070044 604016528 /nfs/dbraw/zinc/01/65/28/604016528.db2.gz YXGUOLJVFFCMNP-MRVPVSSYSA-N -1 0 307.314 -0.833 20 0 DBADRM CN(C(=O)N[C@H]1CCS(=O)(=O)C1)C1CCN(C(=O)[O-])CC1 ZINC000827785824 604021774 /nfs/dbraw/zinc/02/17/74/604021774.db2.gz LDBKDPDVZJRXRQ-VIFPVBQESA-N -1 0 319.383 -0.043 20 0 DBADRM CN1CC(=O)N(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1=O ZINC000828451729 604023425 /nfs/dbraw/zinc/02/34/25/604023425.db2.gz ISDWYMUUBUHJQC-ZJUUUORDSA-N -1 0 324.337 -0.376 20 0 DBADRM CN(C(=O)NCCNS(C)(=O)=O)C1CCN(C(=O)[O-])CC1 ZINC000827801263 604024595 /nfs/dbraw/zinc/02/45/95/604024595.db2.gz MHGPNSFYSFVHHX-UHFFFAOYSA-N -1 0 322.387 -0.681 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000828163198 604029768 /nfs/dbraw/zinc/02/97/68/604029768.db2.gz ZICGLOHPULRVRF-UHFFFAOYSA-N -1 0 320.305 -0.391 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828683291 604038259 /nfs/dbraw/zinc/03/82/59/604038259.db2.gz HNDAMTBVQSMWIH-YUMQZZPRSA-N -1 0 302.283 -0.745 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)OCC(=O)NC(=O)NC2CC2)C1 ZINC000832299298 604041033 /nfs/dbraw/zinc/04/10/33/604041033.db2.gz ZBLQAMPXSSJSMY-VXNVDRBHSA-N -1 0 313.310 -0.046 20 0 DBADRM CC(C)OCCS(=O)(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000824405154 604045923 /nfs/dbraw/zinc/04/59/23/604045923.db2.gz UJINXMCCKIAFKW-UHFFFAOYSA-N -1 0 323.415 -0.374 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000828655460 604050547 /nfs/dbraw/zinc/05/05/47/604050547.db2.gz DJRQXKMBUVEVNI-UHFFFAOYSA-N -1 0 320.367 -0.045 20 0 DBADRM C[C@H](OC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)C(=O)N1CCNC1=O ZINC000825551719 604055556 /nfs/dbraw/zinc/05/55/56/604055556.db2.gz JWJSANFXDCBPIB-CIUDSAMLSA-N -1 0 313.310 -0.094 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1COCCN1C(=O)[O-])S(C)(=O)=O ZINC000823908994 604064641 /nfs/dbraw/zinc/06/46/41/604064641.db2.gz ZKLLZZJNJKIGPP-QMMMGPOBSA-N -1 0 308.356 -0.695 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])S(C)(=O)=O ZINC000823900842 604065043 /nfs/dbraw/zinc/06/50/43/604065043.db2.gz XOHOEQFUYHLAPQ-SFYZADRCSA-N -1 0 308.356 -0.961 20 0 DBADRM O=C([O-])NCCCOC1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000832621697 604073261 /nfs/dbraw/zinc/07/32/61/604073261.db2.gz TUEZHNKGDSLFGY-SNVBAGLBSA-N -1 0 313.354 -0.212 20 0 DBADRM Cc1nc(CNC(=O)NCCN2CCN(C(=O)[O-])CC2)no1 ZINC000830757599 604078418 /nfs/dbraw/zinc/07/84/18/604078418.db2.gz RKBVRXIQUIJRGN-UHFFFAOYSA-N -1 0 312.330 -0.527 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CCC[C@@H]1CNC(=O)[O-] ZINC000828904496 604082042 /nfs/dbraw/zinc/08/20/42/604082042.db2.gz UWNPIVHKCQSVPW-VHSXEESVSA-N -1 0 316.358 -0.421 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCOc3ncccc32)C(=O)C1 ZINC000832030849 604082050 /nfs/dbraw/zinc/08/20/50/604082050.db2.gz AODLZVDWGQKHBA-UHFFFAOYSA-N -1 0 320.305 -0.371 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)[C@H](C)CN(C)C(=O)[O-])n1 ZINC000828547406 604083785 /nfs/dbraw/zinc/08/37/85/604083785.db2.gz QFNJKFIRMHWINJ-SSDOTTSWSA-N -1 0 314.298 -0.353 20 0 DBADRM C[C@H](OC(=O)CC1CN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000825580997 604096755 /nfs/dbraw/zinc/09/67/55/604096755.db2.gz ZMJYFIDNIUALOM-VIFPVBQESA-N -1 0 300.311 -0.223 20 0 DBADRM CNC(=O)NC(=O)CN1CCC(OCCCNC(=O)[O-])CC1 ZINC000828552649 604107820 /nfs/dbraw/zinc/10/78/20/604107820.db2.gz WEKFIJQWDKXZKV-UHFFFAOYSA-N -1 0 316.358 -0.419 20 0 DBADRM CN(CCNC(=O)NCc1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC000828324406 604113540 /nfs/dbraw/zinc/11/35/40/604113540.db2.gz OUUSRAILCNPSAO-UHFFFAOYSA-N -1 0 324.337 -0.040 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCN1C(=O)[O-] ZINC000825970308 604113781 /nfs/dbraw/zinc/11/37/81/604113781.db2.gz UUMSSQQDZCQKGM-NXEZZACHSA-N -1 0 321.337 -0.027 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000832372136 604113837 /nfs/dbraw/zinc/11/38/37/604113837.db2.gz VWLZDCXXNPMITH-DTWKUNHWSA-N -1 0 307.310 -0.369 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000828543321 604114772 /nfs/dbraw/zinc/11/47/72/604114772.db2.gz SVLVQPMJXRYBJS-QMMMGPOBSA-N -1 0 322.321 -0.184 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C1CC1 ZINC000832420371 604115319 /nfs/dbraw/zinc/11/53/19/604115319.db2.gz CIDMJEVMFSPRGG-GXSJLCMTSA-N -1 0 321.337 -0.075 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000827250946 604115349 /nfs/dbraw/zinc/11/53/49/604115349.db2.gz WBCGFLRXXQFFIC-LBPRGKRZSA-N -1 0 301.299 -0.235 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)N[C@H]1CCN(C(=O)[O-])C1)CC2 ZINC000831049885 604127634 /nfs/dbraw/zinc/12/76/34/604127634.db2.gz CGUVKVJJENJJKP-JTQLQIEISA-N -1 0 321.337 -0.400 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)NC(CO)CO)C1CCCCC1 ZINC000832422733 604130170 /nfs/dbraw/zinc/13/01/70/604130170.db2.gz YVVDCLBGDBRPIT-LLVKDONJSA-N -1 0 303.359 -0.145 20 0 DBADRM CN1C(=O)N[C@@]2(CCN(C(=O)CC3(NC(=O)[O-])CCC3)C2)C1=O ZINC000828445944 604137056 /nfs/dbraw/zinc/13/70/56/604137056.db2.gz QREJMIJBANPTMI-CQSZACIVSA-N -1 0 324.337 -0.281 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)CCN1C(=O)[O-] ZINC000825996710 604146891 /nfs/dbraw/zinc/14/68/91/604146891.db2.gz PVYLLUXNDYXNEK-NXEZZACHSA-N -1 0 308.342 -0.013 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])n1 ZINC000829030827 604148030 /nfs/dbraw/zinc/14/80/30/604148030.db2.gz SDJMOUZNACGZOO-UHFFFAOYSA-N -1 0 313.314 -0.806 20 0 DBADRM Cn1cccc(NC(=O)C(=O)NC2CCN(C(=O)[O-])CC2)c1=O ZINC000831022827 604148293 /nfs/dbraw/zinc/14/82/93/604148293.db2.gz PZEDLKXMGDRRAX-UHFFFAOYSA-N -1 0 322.321 -0.418 20 0 DBADRM COC[C@@](C)(O)C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000828897962 604151838 /nfs/dbraw/zinc/15/18/38/604151838.db2.gz WIPCQOXHUVKURI-CYBMUJFWSA-N -1 0 303.359 -0.814 20 0 DBADRM COC[C@@](C)(O)C(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000828886424 604153513 /nfs/dbraw/zinc/15/35/13/604153513.db2.gz VPIFSRGNHCPTSZ-CYBMUJFWSA-N -1 0 303.359 -0.862 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CCN(C(=O)[O-])[C@H](C)C2)cn1 ZINC000830812823 604153878 /nfs/dbraw/zinc/15/38/78/604153878.db2.gz KKZQKXORFQDUAJ-MRVPVSSYSA-N -1 0 307.310 -0.066 20 0 DBADRM O=C([O-])N1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](CO)C1 ZINC000831633526 604167730 /nfs/dbraw/zinc/16/77/30/604167730.db2.gz GQNYUTDVKLZXDK-GHMZBOCLSA-N -1 0 301.343 -0.078 20 0 DBADRM O=C([O-])N1CCC[C@@H](CNC(=O)N2CCO[C@H](CO)C2)C1 ZINC000831981278 604170407 /nfs/dbraw/zinc/17/04/07/604170407.db2.gz VLISKWDJAJCXKR-QWRGUYRKSA-N -1 0 301.343 -0.221 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)CC1(NC(=O)[O-])CCC1 ZINC000831246108 604171065 /nfs/dbraw/zinc/17/10/65/604171065.db2.gz OPWFIVZZQGOAEJ-SECBINFHSA-N -1 0 319.383 -0.154 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](C)CN(C)C(=O)[O-])C1 ZINC000828572596 604172737 /nfs/dbraw/zinc/17/27/37/604172737.db2.gz FFXCAYCRXXVBHZ-NXEZZACHSA-N -1 0 321.399 -0.228 20 0 DBADRM COC[C@@H](C)CC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000828898376 604174911 /nfs/dbraw/zinc/17/49/11/604174911.db2.gz YLMKHZBCYPTNHS-JTQLQIEISA-N -1 0 301.343 -0.403 20 0 DBADRM O=C([O-])NC1CCC(NC(=O)N2CCO[C@H](CO)C2)CC1 ZINC000832313568 604175072 /nfs/dbraw/zinc/17/50/72/604175072.db2.gz SYAWZRYIISKNPN-ILDUYXDCSA-N -1 0 301.343 -0.032 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@H](CO)C1 ZINC000832465968 604176842 /nfs/dbraw/zinc/17/68/42/604176842.db2.gz IPUSEJTTYHMFPL-DCAQKATOSA-N -1 0 301.343 -0.175 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000824834507 604177310 /nfs/dbraw/zinc/17/73/10/604177310.db2.gz YNLMWKVFOMMIEV-DTWKUNHWSA-N -1 0 307.372 -0.618 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000824840620 604179872 /nfs/dbraw/zinc/17/98/72/604179872.db2.gz LPIZFTFYROKOIF-MNOVXSKESA-N -1 0 311.342 -0.249 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)OC[C@@H](C)NC(=O)[O-] ZINC000823575485 604199185 /nfs/dbraw/zinc/19/91/85/604199185.db2.gz RPCDCNRCMVXNJB-SCZZXKLOSA-N -1 0 315.326 -0.687 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)C(=O)Nc1ccn(C)n1)C(=O)[O-] ZINC000828187026 604203546 /nfs/dbraw/zinc/20/35/46/604203546.db2.gz YWUUACIBQYJQBF-SECBINFHSA-N -1 0 309.326 -0.041 20 0 DBADRM C[C@]1([C@@H]2CCCN(C(=O)CCNC(=O)[O-])C2)NC(=O)NC1=O ZINC000825740276 604212858 /nfs/dbraw/zinc/21/28/58/604212858.db2.gz VGAGNQXIHKSOBW-AMIZOPFISA-N -1 0 312.326 -0.519 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)OCCOC1CCC1 ZINC000831488824 604212940 /nfs/dbraw/zinc/21/29/40/604212940.db2.gz LDFVXJNCKLICEL-UHFFFAOYSA-N -1 0 300.311 -0.079 20 0 DBADRM CN(CC(=O)N1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1)C(=O)[O-] ZINC000828091223 604213683 /nfs/dbraw/zinc/21/36/83/604213683.db2.gz WIUDJXQKAFEQOD-ISVAXAHUSA-N -1 0 312.326 -0.567 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(c2ncccc2S(N)(=O)=O)C1 ZINC000827901116 604220858 /nfs/dbraw/zinc/22/08/58/604220858.db2.gz VFZGFYNTHWMZGP-QMMMGPOBSA-N -1 0 300.340 -0.083 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)C1 ZINC000827899863 604225078 /nfs/dbraw/zinc/22/50/78/604225078.db2.gz LFQMEYNSWRCMSA-SSDOTTSWSA-N -1 0 322.325 -0.439 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCC[C@H](C)NC(=O)[O-] ZINC000828670090 604227675 /nfs/dbraw/zinc/22/76/75/604227675.db2.gz BLGJKKXQFAWLGA-QMMMGPOBSA-N -1 0 311.360 -0.638 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000828670270 604228418 /nfs/dbraw/zinc/22/84/18/604228418.db2.gz CYNIEWBORDAOBT-SECBINFHSA-N -1 0 323.371 -0.542 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828670781 604229504 /nfs/dbraw/zinc/22/95/04/604229504.db2.gz KESRNDRCZUQXAP-SECBINFHSA-N -1 0 323.371 -0.542 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000828671264 604230008 /nfs/dbraw/zinc/23/00/08/604230008.db2.gz RWZMBSGPQINPAD-VIFPVBQESA-N -1 0 323.371 -0.638 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N(C)CCCNC(=O)[O-] ZINC000828671236 604230050 /nfs/dbraw/zinc/23/00/50/604230050.db2.gz RTOMZWHTXFHEQP-UHFFFAOYSA-N -1 0 311.360 -0.684 20 0 DBADRM COC1(C(=O)N2C[C@H](O)C[C@H](O)C2)CCN(C(=O)[O-])CC1 ZINC000828849509 604230947 /nfs/dbraw/zinc/23/09/47/604230947.db2.gz PZBQKSDVLUUOEC-AOOOYVTPSA-N -1 0 302.327 -0.901 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000828670315 604235703 /nfs/dbraw/zinc/23/57/03/604235703.db2.gz DNBXOPAIBORULF-SECBINFHSA-N -1 0 323.371 -0.590 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000825217274 604259706 /nfs/dbraw/zinc/25/97/06/604259706.db2.gz DKCNVWLRNNZZIW-ZJUUUORDSA-N -1 0 324.337 -0.156 20 0 DBADRM COC(=O)[C@]1(F)CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828623456 604264609 /nfs/dbraw/zinc/26/46/09/604264609.db2.gz CVCQIQYINWAWPC-RNCFNFMXSA-N -1 0 318.301 -0.131 20 0 DBADRM CNC(=O)N1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828552547 604266169 /nfs/dbraw/zinc/26/61/69/604266169.db2.gz SUBQQHXSPLFHOZ-JTQLQIEISA-N -1 0 314.342 -0.761 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NC[C@@]1(CCO)CCOC1 ZINC000831628699 604269992 /nfs/dbraw/zinc/26/99/92/604269992.db2.gz ULEAABJUHUYPLU-JOYOIKCWSA-N -1 0 304.368 -0.055 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828527307 604271841 /nfs/dbraw/zinc/27/18/41/604271841.db2.gz YYOKZQROKKTEKM-VHSXEESVSA-N -1 0 301.343 -0.404 20 0 DBADRM COC[C@@](C)(CC(=O)OC)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828886377 604275324 /nfs/dbraw/zinc/27/53/24/604275324.db2.gz UYEHTYVQNMZDHC-TVQRCGJNSA-N -1 0 318.326 -0.550 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)CNC(=O)c1cccnc1 ZINC000831724904 604275963 /nfs/dbraw/zinc/27/59/63/604275963.db2.gz GFWCBSPPRRXTJW-UHFFFAOYSA-N -1 0 309.322 -0.239 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)nn1 ZINC000825527709 604278589 /nfs/dbraw/zinc/27/85/89/604278589.db2.gz GFBCZEYBTPZGQL-UWVGGRQHSA-N -1 0 311.342 -0.210 20 0 DBADRM C[C@H](O)c1cn(CC(=O)NCC2CCN(C(=O)[O-])CC2)nn1 ZINC000825528782 604278778 /nfs/dbraw/zinc/27/87/78/604278778.db2.gz SRCZKGSOCHHLNX-VIFPVBQESA-N -1 0 311.342 -0.162 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)nn1 ZINC000825528384 604278788 /nfs/dbraw/zinc/27/87/88/604278788.db2.gz MATJIPWKYHIMGN-UTLUCORTSA-N -1 0 311.342 -0.164 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCN(C(=O)[O-])CC2(C)C)nn1 ZINC000825527609 604279876 /nfs/dbraw/zinc/27/98/76/604279876.db2.gz FIOBWDAPVGOPPK-VIFPVBQESA-N -1 0 311.342 -0.068 20 0 DBADRM Cc1c(C(=O)N2CC(O)C2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000829843695 604293519 /nfs/dbraw/zinc/29/35/19/604293519.db2.gz GEBMJFWWZSTQIV-UHFFFAOYSA-N -1 0 309.326 -0.282 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)CCO1 ZINC000825302805 604302121 /nfs/dbraw/zinc/30/21/21/604302121.db2.gz SQBGPJBWPVHENQ-AEJSXWLSSA-N -1 0 300.311 -0.177 20 0 DBADRM CON(C)C(=O)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000829055649 604306086 /nfs/dbraw/zinc/30/60/86/604306086.db2.gz OEWSSWYNECANGW-UHFFFAOYSA-N -1 0 314.298 -0.929 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)C[C@@H]1C(=O)[O-] ZINC000134181454 604316712 /nfs/dbraw/zinc/31/67/12/604316712.db2.gz OXFPTUNQESJPIZ-UTLUCORTSA-N -1 0 304.368 -0.074 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)NCCn2ncnn2)c1 ZINC000380150545 604321716 /nfs/dbraw/zinc/32/17/16/604321716.db2.gz IJXCZWYTJFLUAD-UHFFFAOYSA-N -1 0 306.282 -0.042 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000739469375 604322940 /nfs/dbraw/zinc/32/29/40/604322940.db2.gz OUSIRQWMYOMYNO-GMTAPVOTSA-N -1 0 314.338 -0.099 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)NC1CCC(C(=O)NC(N)=O)CC1 ZINC000824020591 604344043 /nfs/dbraw/zinc/34/40/43/604344043.db2.gz ROCFXSVXBWRYEK-UHFFFAOYSA-N -1 0 314.342 -0.098 20 0 DBADRM C[C@]1(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CCN(C(=O)[O-])C1 ZINC000825656857 604344872 /nfs/dbraw/zinc/34/48/72/604344872.db2.gz MKYHEIKIKNLEQZ-OQPBUACISA-N -1 0 310.310 -0.861 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCS[C@H]3COCC[C@@H]32)nn1 ZINC000833337335 604348635 /nfs/dbraw/zinc/34/86/35/604348635.db2.gz BKWOJRCLYOEHLF-UWVGGRQHSA-N -1 0 312.351 -0.291 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCS[C@H]3COCC[C@H]32)nn1 ZINC000833337345 604348754 /nfs/dbraw/zinc/34/87/54/604348754.db2.gz BKWOJRCLYOEHLF-ZJUUUORDSA-N -1 0 312.351 -0.291 20 0 DBADRM C[C@H](CCNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1)NC(=O)[O-] ZINC000824794440 604350210 /nfs/dbraw/zinc/35/02/10/604350210.db2.gz UPLMCBWVUPRAGY-IWSPIJDZSA-N -1 0 302.331 -0.635 20 0 DBADRM COCc1nn(CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c(=O)o1 ZINC000829055918 604351024 /nfs/dbraw/zinc/35/10/24/604351024.db2.gz QQBUZTSLAJDRKA-RKDXNWHRSA-N -1 0 300.315 -0.082 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)NCCN(C(=O)[O-])C2CC2)O1 ZINC000831173482 604351321 /nfs/dbraw/zinc/35/13/21/604351321.db2.gz NCBITDUVXVENQW-NXEZZACHSA-N -1 0 314.342 -0.539 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)NCCN(C(=O)[O-])C2CC2)O1 ZINC000831173663 604351397 /nfs/dbraw/zinc/35/13/97/604351397.db2.gz NCBITDUVXVENQW-ZJUUUORDSA-N -1 0 314.342 -0.539 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)NCCN(C(=O)[O-])C2CC2)O1 ZINC000831173661 604351514 /nfs/dbraw/zinc/35/15/14/604351514.db2.gz NCBITDUVXVENQW-VHSXEESVSA-N -1 0 314.342 -0.539 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000167244031 604352462 /nfs/dbraw/zinc/35/24/62/604352462.db2.gz YWTRDRYCZCCELX-ZYHUDNBSSA-N -1 0 300.355 -0.609 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@@H](CNC(=O)[O-])C2CC2)O1 ZINC000831174594 604352447 /nfs/dbraw/zinc/35/24/47/604352447.db2.gz WCLQUGRCCNPKDJ-UTLUCORTSA-N -1 0 314.342 -0.635 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)O1 ZINC000831173308 604352724 /nfs/dbraw/zinc/35/27/24/604352724.db2.gz LQGIKPOLJZPOMR-BBBLOLIVSA-N -1 0 314.342 -0.539 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](CO)OC[C@@H]1C)C(=O)[O-] ZINC000828709942 604354163 /nfs/dbraw/zinc/35/41/63/604354163.db2.gz UOWOZLRWIYVUMO-ZPFDUUQYSA-N -1 0 302.371 -0.317 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CCN1C(=O)[O-] ZINC000825996207 604354296 /nfs/dbraw/zinc/35/42/96/604354296.db2.gz KWHILNLNBQZUFR-UTLUCORTSA-N -1 0 314.342 -0.587 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC(NC(=O)[O-])CC2)O1 ZINC000831171924 604356478 /nfs/dbraw/zinc/35/64/78/604356478.db2.gz GSGJQNKHAJPGED-ZJUUUORDSA-N -1 0 314.342 -0.539 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCCN1C(=O)CCSCC(=O)[O-] ZINC000833089703 604372583 /nfs/dbraw/zinc/37/25/83/604372583.db2.gz UZKIUXKCKXVOOV-SECBINFHSA-N -1 0 324.424 -0.136 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000738626741 604374306 /nfs/dbraw/zinc/37/43/06/604374306.db2.gz WFSNPNBGZUQUQK-BBBLOLIVSA-N -1 0 319.383 -0.980 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000823687289 604375879 /nfs/dbraw/zinc/37/58/79/604375879.db2.gz WFSNPNBGZUQUQK-AEJSXWLSSA-N -1 0 319.383 -0.980 20 0 DBADRM CC(C)(CCC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)NC(=O)[O-] ZINC000823890647 604378584 /nfs/dbraw/zinc/37/85/84/604378584.db2.gz XJCNEEKSIKDXSA-BDAKNGLRSA-N -1 0 301.343 -0.038 20 0 DBADRM CS(=O)(=O)CCCCOC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000829669974 604380268 /nfs/dbraw/zinc/38/02/68/604380268.db2.gz SJNGFMZHMAEWEX-VIFPVBQESA-N -1 0 309.340 -0.267 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)O[C@H](C)C(=O)N1CCNC1=O ZINC000825598422 604385131 /nfs/dbraw/zinc/38/51/31/604385131.db2.gz KYZYXTSVVUSBHB-SFYZADRCSA-N -1 0 301.299 -0.238 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)OCCNC(=O)c2ccncc2)C1 ZINC000831692839 604388168 /nfs/dbraw/zinc/38/81/68/604388168.db2.gz BVVDGQJSMBGCGB-LLVKDONJSA-N -1 0 323.305 -0.267 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)C2CCC(NC(=O)[O-])CC2)O1 ZINC000831174764 604394681 /nfs/dbraw/zinc/39/46/81/604394681.db2.gz ZEFSPDWUZRVEFD-LXKPXOPUSA-N -1 0 313.354 -0.038 20 0 DBADRM COc1ccc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])nn1 ZINC000829277498 604396297 /nfs/dbraw/zinc/39/62/97/604396297.db2.gz SSTUDQYTFAJOMZ-VIFPVBQESA-N -1 0 309.326 -0.491 20 0 DBADRM O=C([O-])CCNC(=O)CCN1C(=O)N[C@]2(CCSC2)C1=O ZINC000833236334 604402666 /nfs/dbraw/zinc/40/26/66/604402666.db2.gz FPGJNMNLXFJJFY-LBPRGKRZSA-N -1 0 315.351 -0.605 20 0 DBADRM CCCC(=O)NCC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000826705647 604404277 /nfs/dbraw/zinc/40/42/77/604404277.db2.gz FRRHTEAVVBPINE-JTQLQIEISA-N -1 0 300.359 -0.687 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C[C@@H](O)CN1CCCC1=O ZINC000827015738 604404377 /nfs/dbraw/zinc/40/43/77/604404377.db2.gz HDUIGCBMODVYRL-VXGBXAGGSA-N -1 0 302.371 -0.220 20 0 DBADRM C[C@H](C(=O)N1CCN(C)C[C@H]1CNC(=O)[O-])c1cnn(C)c1 ZINC000823668024 604405765 /nfs/dbraw/zinc/40/57/65/604405765.db2.gz BFGDSZHKJUBNPN-CMPLNLGQSA-N -1 0 309.370 -0.066 20 0 DBADRM COCCOCCC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000829001747 604408113 /nfs/dbraw/zinc/40/81/13/604408113.db2.gz DTWWXPWTOJADHC-NSHDSACASA-N -1 0 303.359 -0.550 20 0 DBADRM COc1ccc(S(=O)(=O)NC2(C(N)=O)CC2)cc1C(=O)[O-] ZINC000832462562 604408482 /nfs/dbraw/zinc/40/84/82/604408482.db2.gz OCWHWZHTDFFVQW-UHFFFAOYSA-N -1 0 314.319 -0.310 20 0 DBADRM CCOC(=O)[C@H](C)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000829822250 604410511 /nfs/dbraw/zinc/41/05/11/604410511.db2.gz CRYXEFFTFKJHBZ-MRVPVSSYSA-N -1 0 319.339 -0.555 20 0 DBADRM CCOC(=O)[C@@H](C)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000829822547 604410517 /nfs/dbraw/zinc/41/05/17/604410517.db2.gz JJMDXEJFXUJKRB-VIFPVBQESA-N -1 0 322.383 -0.183 20 0 DBADRM CN1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)[C@@H](CNC(=O)[O-])C1 ZINC000828494155 604411673 /nfs/dbraw/zinc/41/16/73/604411673.db2.gz HRTKIERHVISKOS-JQWIXIFHSA-N -1 0 321.381 -0.075 20 0 DBADRM CN1CCN(C(=O)CNCC(F)(F)F)[C@H](CNC(=O)[O-])C1 ZINC000828500915 604412179 /nfs/dbraw/zinc/41/21/79/604412179.db2.gz RBZVFPXWTWODAA-MRVPVSSYSA-N -1 0 312.292 -0.452 20 0 DBADRM COC(=O)C[C@H](C)C(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000828646819 604412222 /nfs/dbraw/zinc/41/22/22/604412222.db2.gz MMXWYYYUAYVXQH-UWVGGRQHSA-N -1 0 301.343 -0.404 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000828646823 604412375 /nfs/dbraw/zinc/41/23/75/604412375.db2.gz MMXWYYYUAYVXQH-ZJUUUORDSA-N -1 0 301.343 -0.404 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC1CN(C(=O)[O-])C1 ZINC000739469489 604412664 /nfs/dbraw/zinc/41/26/64/604412664.db2.gz PSZKRXQUHMKGMN-VIFPVBQESA-N -1 0 321.355 -0.790 20 0 DBADRM O=C([O-])N1CC(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000831852149 604414011 /nfs/dbraw/zinc/41/40/11/604414011.db2.gz KIAADTDIUOKRMK-UHFFFAOYSA-N -1 0 312.307 -0.091 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000824961092 604416700 /nfs/dbraw/zinc/41/67/00/604416700.db2.gz YBGMAHXVOPFNET-IWSPIJDZSA-N -1 0 302.331 -0.683 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN([C@@H]2CC(=O)N(C3CC3)C2=O)CCO1 ZINC000825344200 604417510 /nfs/dbraw/zinc/41/75/10/604417510.db2.gz NCNZBWOJVTVSIL-GDPRMGEGSA-N -1 0 311.338 -0.367 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)[C@@H]1CN(C)CCO1 ZINC000827754201 604418776 /nfs/dbraw/zinc/41/87/76/604418776.db2.gz HOWVQMSCCGLZCD-WPRPVWTQSA-N -1 0 318.351 -0.025 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CC1SC(=N)NC1=O ZINC000827002370 604434308 /nfs/dbraw/zinc/43/43/08/604434308.db2.gz XTALFCDUVLMBNN-YUMQZZPRSA-N -1 0 317.367 -0.121 20 0 DBADRM COCc1nn(CN2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)c(=O)o1 ZINC000829056150 604438427 /nfs/dbraw/zinc/43/84/27/604438427.db2.gz UGMAOPWGXWWTSZ-DTWKUNHWSA-N -1 0 316.314 -0.703 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)C2(NC(=O)[O-])CC2)C1 ZINC000829683232 604440729 /nfs/dbraw/zinc/44/07/29/604440729.db2.gz PSWGIZSNCCYZQU-MRVPVSSYSA-N -1 0 305.356 -0.673 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(c2nc3c(cnn3C)c(=O)[nH]2)CCO1 ZINC000825370572 604450237 /nfs/dbraw/zinc/45/02/37/604450237.db2.gz BEVPRAUPCZSMEL-CBAPKCEASA-N -1 0 322.325 -0.070 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)Cn1cc([C@@H](C)O)nn1 ZINC000827006736 604452243 /nfs/dbraw/zinc/45/22/43/604452243.db2.gz NYJULARQTINAOH-KOLCDFICSA-N -1 0 314.342 -0.332 20 0 DBADRM CNC(=O)c1ccc(N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)nn1 ZINC000828560415 604454231 /nfs/dbraw/zinc/45/42/31/604454231.db2.gz CJQONGBLXVSXBL-SCZZXKLOSA-N -1 0 309.326 -0.303 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000833447571 604460209 /nfs/dbraw/zinc/46/02/09/604460209.db2.gz VHLVUZRIJBVAOR-QMMMGPOBSA-N -1 0 320.367 -0.999 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000827388885 604463387 /nfs/dbraw/zinc/46/33/87/604463387.db2.gz QHGAPLIFGIVOSL-LLVKDONJSA-N -1 0 315.370 -0.672 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000827960438 604470947 /nfs/dbraw/zinc/47/09/47/604470947.db2.gz IPNHVUBEGBAGFC-UHFFFAOYSA-N -1 0 312.370 -0.545 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)C2(NC(=O)[O-])CC2)n1 ZINC000829673793 604471631 /nfs/dbraw/zinc/47/16/31/604471631.db2.gz LRHLKXODSYHAJP-UHFFFAOYSA-N -1 0 316.339 -0.334 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739993241 604474590 /nfs/dbraw/zinc/47/45/90/604474590.db2.gz XQMYJJSJYOPKHH-NXEZZACHSA-N -1 0 319.383 -0.331 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(=O)NCC(=O)[O-])sc1C ZINC000833003395 604474641 /nfs/dbraw/zinc/47/46/41/604474641.db2.gz QXDNTSPUVBEQDR-UHFFFAOYSA-N -1 0 307.353 -0.761 20 0 DBADRM O=C([O-])[C@H](c1ccccc1F)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000833360382 604484421 /nfs/dbraw/zinc/48/44/21/604484421.db2.gz HCTPMUJTTGSADN-SKDRFNHKSA-N -1 0 321.308 -0.406 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)CCO1 ZINC000825357970 604490639 /nfs/dbraw/zinc/49/06/39/604490639.db2.gz CLWNXSRXMCTFFK-DCAQKATOSA-N -1 0 322.383 -0.148 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)C[C@H]2CCCO2)CCO1 ZINC000825357977 604490766 /nfs/dbraw/zinc/49/07/66/604490766.db2.gz CLWNXSRXMCTFFK-HBNTYKKESA-N -1 0 322.383 -0.148 20 0 DBADRM CCN(CC)S(=O)(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827045009 604491225 /nfs/dbraw/zinc/49/12/25/604491225.db2.gz FMPNDFUJHKHBJV-ZJUUUORDSA-N -1 0 309.388 -0.070 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)c2c[nH]cn2)CCO1 ZINC000825358272 604493436 /nfs/dbraw/zinc/49/34/36/604493436.db2.gz FMCXJVUFJZJRHL-SFYZADRCSA-N -1 0 304.328 -0.545 20 0 DBADRM C[C@H](OC(=O)CS(=O)(=O)C(C)(C)C)C(=O)NCC(=O)[O-] ZINC000833530986 604501323 /nfs/dbraw/zinc/50/13/23/604501323.db2.gz JVOFNBPXBLWZHZ-ZETCQYMHSA-N -1 0 309.340 -0.668 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)NCCN1CCCS1(=O)=O ZINC000406056126 604506041 /nfs/dbraw/zinc/50/60/41/604506041.db2.gz XYZWLYMHMMYRMD-JTQLQIEISA-N -1 0 319.383 -0.329 20 0 DBADRM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC000833390106 604509078 /nfs/dbraw/zinc/50/90/78/604509078.db2.gz IQTFTEWTBWTGCC-MWLCHTKSSA-N -1 0 306.384 -0.163 20 0 DBADRM CC(C)NC(=O)CNC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000824367604 604529068 /nfs/dbraw/zinc/52/90/68/604529068.db2.gz GHIDBKWGHZJGJQ-UWVGGRQHSA-N -1 0 316.358 -0.423 20 0 DBADRM CC(=O)NCCCNC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000823578992 604531361 /nfs/dbraw/zinc/53/13/61/604531361.db2.gz CRFYPYBQEYRVOT-ONGXEEELSA-N -1 0 316.358 -0.421 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCc2cnn(C)c2)CCO1 ZINC000825319269 604539328 /nfs/dbraw/zinc/53/93/28/604539328.db2.gz UERLBVNFFLMGMN-ONGXEEELSA-N -1 0 311.342 -0.013 20 0 DBADRM CN1CC[C@@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)C1=O ZINC000830923290 604542811 /nfs/dbraw/zinc/54/28/11/604542811.db2.gz GEBTVKMNMGEFCB-SSDOTTSWSA-N -1 0 311.319 -0.268 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCS(C)(=O)=O)CCO1 ZINC000825318977 604543014 /nfs/dbraw/zinc/54/30/14/604543014.db2.gz QYHQOENNRPRNLB-RKDXNWHRSA-N -1 0 323.371 -0.903 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)C1(NC(=O)[O-])CC1 ZINC000829683244 604545144 /nfs/dbraw/zinc/54/51/44/604545144.db2.gz PVFRDIKXMPGLFY-BDAKNGLRSA-N -1 0 319.383 -0.379 20 0 DBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NC[C@H](C)O)c1 ZINC000833715378 604549777 /nfs/dbraw/zinc/54/97/77/604549777.db2.gz SLYAYENDVGRVNR-ZETCQYMHSA-N -1 0 317.319 -0.170 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCC[S@@](C)=O)CCO1 ZINC000825318873 604553443 /nfs/dbraw/zinc/55/34/43/604553443.db2.gz QFOVPGWYXMYFLV-PKPDKRHSSA-N -1 0 307.372 -0.569 20 0 DBADRM Cc1[nH]c(C(=O)NC[C@H](C)S(N)(=O)=O)c(C)c1C(=O)[O-] ZINC000833740223 604555747 /nfs/dbraw/zinc/55/57/47/604555747.db2.gz PVEWDETYTYUSAD-YFKPBYRVSA-N -1 0 303.340 -0.263 20 0 DBADRM C[C@@](O)(CC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1CC1 ZINC000833526382 604556032 /nfs/dbraw/zinc/55/60/32/604556032.db2.gz VFCKYPPNXKQQSV-OAHLLOKOSA-N -1 0 314.382 -0.217 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCC(=O)N(C)C)CCO1 ZINC000825309199 604559809 /nfs/dbraw/zinc/55/98/09/604559809.db2.gz INVQASJBBKJIHF-ZJUUUORDSA-N -1 0 316.358 -0.469 20 0 DBADRM CNC(=O)CCCNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828537416 604561922 /nfs/dbraw/zinc/56/19/22/604561922.db2.gz DTBFCXJOFZKAKP-VHSXEESVSA-N -1 0 316.358 -0.421 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)ccc1=O ZINC000739567666 604566021 /nfs/dbraw/zinc/56/60/21/604566021.db2.gz SZEBUKAQARUFLO-SNVBAGLBSA-N -1 0 322.321 -0.325 20 0 DBADRM C[C@H](NC(=O)NC1CN(C(=O)[O-])C1)[C@H](C)N1CCOCC1 ZINC000825160509 604584003 /nfs/dbraw/zinc/58/40/03/604584003.db2.gz BPFDBTCGJYJWMO-UWVGGRQHSA-N -1 0 300.359 -0.243 20 0 DBADRM O=C([O-])N1CC(NC(=O)NCc2nnnn2-c2ccccc2)C1 ZINC000831730592 604586002 /nfs/dbraw/zinc/58/60/02/604586002.db2.gz JEVSHHOLYHDLDE-UHFFFAOYSA-N -1 0 317.309 -0.176 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000827243264 604587286 /nfs/dbraw/zinc/58/72/86/604587286.db2.gz XGXNALXUIZWKTR-TVQRCGJNSA-N -1 0 316.333 -0.002 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000827243258 604587375 /nfs/dbraw/zinc/58/73/75/604587375.db2.gz XGXNALXUIZWKTR-NOZJJQNGSA-N -1 0 316.333 -0.002 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000829669331 604594066 /nfs/dbraw/zinc/59/40/66/604594066.db2.gz MUHKCPKSTANRTL-UHFFFAOYSA-N -1 0 305.356 -0.527 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739516636 604602956 /nfs/dbraw/zinc/60/29/56/604602956.db2.gz QGGLGRVFSSTEKM-DTWKUNHWSA-N -1 0 307.372 -0.139 20 0 DBADRM CCN(C(=O)NC1CN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000826979999 604605234 /nfs/dbraw/zinc/60/52/34/604605234.db2.gz QCACFSVAJPDGOZ-VIFPVBQESA-N -1 0 305.356 -0.433 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@@H](NC(=O)[O-])C1)S(C)(=O)=O ZINC000823917858 604607732 /nfs/dbraw/zinc/60/77/32/604607732.db2.gz MTPTWFRHGUJVAX-MRVPVSSYSA-N -1 0 307.372 -0.139 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)NC1CN(C(=O)[O-])C1 ZINC000828267067 604613196 /nfs/dbraw/zinc/61/31/96/604613196.db2.gz NVKMPENBPGLZBH-MRVPVSSYSA-N -1 0 305.356 -0.575 20 0 DBADRM Cn1cc([C@H]2CN(C(=O)NC3CN(C(=O)[O-])C3)CCO2)cn1 ZINC000831000184 604616011 /nfs/dbraw/zinc/61/60/11/604616011.db2.gz UHTCPEQBIZIYLD-LLVKDONJSA-N -1 0 309.326 -0.135 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CC(=O)NC2CCOCC2)CCO1 ZINC000825345190 604616003 /nfs/dbraw/zinc/61/60/03/604616003.db2.gz RYQCPQIWFONIDT-ZYHUDNBSSA-N -1 0 315.370 -0.362 20 0 DBADRM O=C([O-])N1CC(NC(=O)N2CCO[C@H](Cn3cccn3)C2)C1 ZINC000831848145 604618665 /nfs/dbraw/zinc/61/86/65/604618665.db2.gz ZTVDIPAFXAVEAC-NSHDSACASA-N -1 0 309.326 -0.344 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC000827653851 604625262 /nfs/dbraw/zinc/62/52/62/604625262.db2.gz SKNTYUBXHYGAGT-SRVKXCTJSA-N -1 0 315.370 -0.409 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@H]2CC(=O)[O-])n1 ZINC000830557265 604632436 /nfs/dbraw/zinc/63/24/36/604632436.db2.gz SKDMUJOTMLBRAL-VIFPVBQESA-N -1 0 324.341 -0.163 20 0 DBADRM CCS(=O)(=O)NCCN1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827475882 604632558 /nfs/dbraw/zinc/63/25/58/604632558.db2.gz QMBBSWUWPOQORX-UWVGGRQHSA-N -1 0 309.388 -0.717 20 0 DBADRM CCS(=O)(=O)NCCN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827475881 604632616 /nfs/dbraw/zinc/63/26/16/604632616.db2.gz QMBBSWUWPOQORX-NXEZZACHSA-N -1 0 309.388 -0.717 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C[C@H](O)CN2CCOCC2)CCO1 ZINC000825350173 604636528 /nfs/dbraw/zinc/63/65/28/604636528.db2.gz HGCXJSQNLFIHID-YNEHKIRRSA-N -1 0 317.386 -0.964 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CC(=O)NC[C@H]2CCCO2)CCO1 ZINC000825343953 604636581 /nfs/dbraw/zinc/63/65/81/604636581.db2.gz LQRZPNXBXUEBCF-TUAOUCFPSA-N -1 0 315.370 -0.362 20 0 DBADRM COCCN(CCOC)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828979628 604639436 /nfs/dbraw/zinc/63/94/36/604639436.db2.gz KFKIZODULPDABC-LLVKDONJSA-N -1 0 304.343 -0.123 20 0 DBADRM COC(=O)C1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828631075 604645618 /nfs/dbraw/zinc/64/56/18/604645618.db2.gz LQHSBIXVMZZGSZ-JTQLQIEISA-N -1 0 300.311 -0.223 20 0 DBADRM Cc1nnc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])C2)[nH]1 ZINC000830735847 604646973 /nfs/dbraw/zinc/64/69/73/604646973.db2.gz VWVLTUSNIFUQCB-MXWKQRLJSA-N -1 0 323.353 -0.068 20 0 DBADRM O=C([O-])N1CC(OCC(=O)NC[C@H](CO)Cc2ccco2)C1 ZINC000831528864 604650501 /nfs/dbraw/zinc/65/05/01/604650501.db2.gz CRTHWVUIQTXAMZ-SNVBAGLBSA-N -1 0 312.322 -0.074 20 0 DBADRM COc1coc(COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1=O ZINC000829655109 604653948 /nfs/dbraw/zinc/65/39/48/604653948.db2.gz QGLMUKZYIXNKGM-IONNQARKSA-N -1 0 313.262 -0.195 20 0 DBADRM CC(C)C(=O)NCCCNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000819954920 604654553 /nfs/dbraw/zinc/65/45/53/604654553.db2.gz DAMZMNVNHMTFCG-JTQLQIEISA-N -1 0 301.343 -0.356 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000042144679 604666754 /nfs/dbraw/zinc/66/67/54/604666754.db2.gz DQOZRFODYXICHY-QMMMGPOBSA-N -1 0 315.351 -0.248 20 0 DBADRM CCn1nc(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)ccc1=O ZINC000827711176 604670340 /nfs/dbraw/zinc/67/03/40/604670340.db2.gz LXYODLVIBZIVSH-KOLCDFICSA-N -1 0 324.337 -0.240 20 0 DBADRM NC(=O)COc1cccc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831194816 604672188 /nfs/dbraw/zinc/67/21/88/604672188.db2.gz SFBTXVZOKALOHQ-NSHDSACASA-N -1 0 323.305 -0.132 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)CCO1 ZINC000825294888 604672947 /nfs/dbraw/zinc/67/29/47/604672947.db2.gz PNWNWYCSSNCZOR-HBNTYKKESA-N -1 0 313.354 -0.262 20 0 DBADRM CCN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000826971466 604673606 /nfs/dbraw/zinc/67/36/06/604673606.db2.gz XPBCVDCCMYSZEC-NXEZZACHSA-N -1 0 320.367 -0.599 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCO1 ZINC000825328987 604679520 /nfs/dbraw/zinc/67/95/20/604679520.db2.gz XYWXSQDYECOKIB-XVKPBYJWSA-N -1 0 310.310 -0.389 20 0 DBADRM NC(=O)COc1ccc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831195109 604688659 /nfs/dbraw/zinc/68/86/59/604688659.db2.gz XCCGSABCNMSZAW-LLVKDONJSA-N -1 0 323.305 -0.132 20 0 DBADRM C[C@H](OC(=O)c1cc(C(N)=O)cn1C)c1cn(CC(=O)[O-])nn1 ZINC000827844929 604692693 /nfs/dbraw/zinc/69/26/93/604692693.db2.gz TUIYYJFAGJAORN-ZETCQYMHSA-N -1 0 321.293 -0.282 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833666196 604694746 /nfs/dbraw/zinc/69/47/46/604694746.db2.gz WYWVXCMWDXBRGD-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM C[C@H](OC(=O)c1ccn(C)c(=O)c1)c1cn(CC(=O)[O-])nn1 ZINC000827867218 604694960 /nfs/dbraw/zinc/69/49/60/604694960.db2.gz MXCOPSVLCTTYEF-QMMMGPOBSA-N -1 0 306.278 -0.021 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)[C@H]2CCc3c[nH]nc3C2)nn1 ZINC000833272976 604695346 /nfs/dbraw/zinc/69/53/46/604695346.db2.gz ZJGLYXLQZPNISS-VIFPVBQESA-N -1 0 319.321 -0.023 20 0 DBADRM NC(=O)c1cccc(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831234077 604695811 /nfs/dbraw/zinc/69/58/11/604695811.db2.gz KTSLLBMICYHIRK-NSHDSACASA-N -1 0 307.306 -0.220 20 0 DBADRM COCCOCCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000829002224 604697257 /nfs/dbraw/zinc/69/72/57/604697257.db2.gz ORXFBBMGSUXUFW-WDEREUQCSA-N -1 0 304.343 -0.077 20 0 DBADRM C[C@@H](C(=O)OCCc1cn(CC(=O)[O-])nn1)c1cnn(C)c1 ZINC000826064540 604700234 /nfs/dbraw/zinc/70/02/34/604700234.db2.gz LYCUOVFEVOGYGB-SECBINFHSA-N -1 0 307.310 -0.014 20 0 DBADRM C[C@@H](CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)N1CCOCC1 ZINC000824922555 604700376 /nfs/dbraw/zinc/70/03/76/604700376.db2.gz QKPPXSXPMADFKW-NWDGAFQWSA-N -1 0 315.370 -0.408 20 0 DBADRM CCNC(=O)CCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827236674 604700650 /nfs/dbraw/zinc/70/06/50/604700650.db2.gz ISUDWUGIYLJLPN-ZJUUUORDSA-N -1 0 301.343 -0.214 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000829938360 604702084 /nfs/dbraw/zinc/70/20/84/604702084.db2.gz UZUHJWRUBBQCCN-NSHDSACASA-N -1 0 324.424 -0.108 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827974781 604704121 /nfs/dbraw/zinc/70/41/21/604704121.db2.gz FRUDHHVIHYQXEW-SNVBAGLBSA-N -1 0 314.342 -0.809 20 0 DBADRM NC(=O)c1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cc1 ZINC000833084023 604704635 /nfs/dbraw/zinc/70/46/35/604704635.db2.gz GGTNTVSTQBDRPN-UHFFFAOYSA-N -1 0 318.289 -0.139 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCN2CCOC2=O)CCO1 ZINC000825302356 604704996 /nfs/dbraw/zinc/70/49/96/604704996.db2.gz POAZGWDKFVLLFC-ZJUUUORDSA-N -1 0 315.326 -0.288 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000826949172 604707095 /nfs/dbraw/zinc/70/70/95/604707095.db2.gz KTAZSXLBNVUKBR-AEJSXWLSSA-N -1 0 316.358 -0.293 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cn2)C[C@@H]1C(=O)[O-] ZINC000833624723 604708129 /nfs/dbraw/zinc/70/81/29/604708129.db2.gz VVZNYHOWRZMCAN-CBAPKCEASA-N -1 0 313.335 -0.478 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cn2)C[C@@H]1C(=O)[O-] ZINC000833624720 604708211 /nfs/dbraw/zinc/70/82/11/604708211.db2.gz VVZNYHOWRZMCAN-APPZFPTMSA-N -1 0 313.335 -0.478 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCO1 ZINC000825326202 604708696 /nfs/dbraw/zinc/70/86/96/604708696.db2.gz NTVTWWVXGQVTHO-LPEHRKFASA-N -1 0 314.342 -0.587 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000824908420 604711802 /nfs/dbraw/zinc/71/18/02/604711802.db2.gz TXDBPVGUSUZFDQ-RYUDHWBXSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CCCn2cncn2)CCO1 ZINC000825302186 604712668 /nfs/dbraw/zinc/71/26/68/604712668.db2.gz NWSGZLANGQQSEX-WDEREUQCSA-N -1 0 311.342 -0.058 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCc2nnc3n2CCCC3)C1 ZINC000831730772 604719288 /nfs/dbraw/zinc/71/92/88/604719288.db2.gz LXYAYDMEAPABGK-SECBINFHSA-N -1 0 309.326 -0.391 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCc1nnc2n1CCCC2 ZINC000831387251 604719331 /nfs/dbraw/zinc/71/93/31/604719331.db2.gz FGUIXPUKPXBROJ-JTQLQIEISA-N -1 0 323.353 -0.001 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccn(C)c(=O)c2)CCO1 ZINC000825333809 604719723 /nfs/dbraw/zinc/71/97/23/604719723.db2.gz ACGSQQZXDJEEJK-GXSJLCMTSA-N -1 0 309.322 -0.118 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N(C)C2(C(=O)[O-])CCCC2)nn1 ZINC000830556936 604720850 /nfs/dbraw/zinc/72/08/50/604720850.db2.gz LJJUBPCZIWYNNB-UHFFFAOYSA-N -1 0 323.353 -0.164 20 0 DBADRM CN(C(=O)CN1CCOC[C@H]1C(N)=O)c1ccccc1C(=O)[O-] ZINC000833685099 604723723 /nfs/dbraw/zinc/72/37/23/604723723.db2.gz AKRAVTJXNAENNU-LBPRGKRZSA-N -1 0 321.333 -0.466 20 0 DBADRM COC(=O)c1cc(CN2CCOC[C@@H]2C(N)=O)cc(C(=O)[O-])c1 ZINC000833712250 604723774 /nfs/dbraw/zinc/72/37/74/604723774.db2.gz COQGLEDGHJLRNL-GFCCVEGCSA-N -1 0 322.317 -0.143 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CNC(=O)c1cccnc1 ZINC000829956331 604724183 /nfs/dbraw/zinc/72/41/83/604724183.db2.gz YLXUZRCPISVIAY-LLVKDONJSA-N -1 0 309.322 -0.241 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CCO1 ZINC000825324468 604725943 /nfs/dbraw/zinc/72/59/43/604725943.db2.gz AUKPQCURIQTHSM-OIBJUYFYSA-N -1 0 310.310 -0.389 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)C(=O)c2cnn(C)c2)CCO1 ZINC000825294351 604726030 /nfs/dbraw/zinc/72/60/30/604726030.db2.gz KWFGRDSGFXGDPA-WCBMZHEXSA-N -1 0 310.310 -0.514 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCN2C(=O)CSC2=O)C1 ZINC000831689847 604728069 /nfs/dbraw/zinc/72/80/69/604728069.db2.gz YXEZBLKMBFZLIF-ZETCQYMHSA-N -1 0 317.323 -0.823 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCC(O)(C(=O)[O-])CC1 ZINC000833403819 604728224 /nfs/dbraw/zinc/72/82/24/604728224.db2.gz CRUKBSIPQLNPDP-QWRGUYRKSA-N -1 0 300.355 -0.418 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CS(=O)(=O)NC(C)(C)C ZINC000829955299 604729533 /nfs/dbraw/zinc/72/95/33/604729533.db2.gz NRNIFLXWIFVAFG-VIFPVBQESA-N -1 0 324.399 -0.348 20 0 DBADRM COC(=O)N1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828705147 604731298 /nfs/dbraw/zinc/73/12/98/604731298.db2.gz SBWMPEKHPWCTQT-VIFPVBQESA-N -1 0 301.299 -0.724 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)Cn1cc(C(=O)OC)nn1 ZINC000829961320 604734411 /nfs/dbraw/zinc/73/44/11/604734411.db2.gz QQCRODZUDNVSTB-SECBINFHSA-N -1 0 314.298 -0.987 20 0 DBADRM CC[C@@](C)(NC(=O)CNS(=O)(=O)CCCOC)C(=O)[O-] ZINC000262180391 604735597 /nfs/dbraw/zinc/73/55/97/604735597.db2.gz PWOQWLPCVWJSRK-LLVKDONJSA-N -1 0 310.372 -0.688 20 0 DBADRM CCCNC(=O)CCNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826920798 604735992 /nfs/dbraw/zinc/73/59/92/604735992.db2.gz JQDDNIMVPMQQJQ-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC000833253346 604739329 /nfs/dbraw/zinc/73/93/29/604739329.db2.gz DBYARTOIHVVEEZ-JTQLQIEISA-N -1 0 306.274 -0.315 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)C(=O)Nc2cccnc2)CCO1 ZINC000825295365 604743719 /nfs/dbraw/zinc/74/37/19/604743719.db2.gz UBRSJUXITQAKIF-GXSJLCMTSA-N -1 0 322.321 -0.096 20 0 DBADRM CC(=O)NCC1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823578986 604748880 /nfs/dbraw/zinc/74/88/80/604748880.db2.gz CRAPCJPRKJFHIE-GFCCVEGCSA-N -1 0 313.354 -0.260 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)NC2CN(C(=O)[O-])C2)o1 ZINC000829687813 604750336 /nfs/dbraw/zinc/75/03/36/604750336.db2.gz NFTTUPLTHBYIBP-UHFFFAOYSA-N -1 0 317.323 -0.579 20 0 DBADRM O=C([O-])N1CC(NC(=O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000740368119 604750464 /nfs/dbraw/zinc/75/04/64/604750464.db2.gz MMAGNAPGDSXZPT-UHFFFAOYSA-N -1 0 303.274 -0.239 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000833392629 604750612 /nfs/dbraw/zinc/75/06/12/604750612.db2.gz XCUGVELCZOTWJH-SECBINFHSA-N -1 0 302.352 -0.654 20 0 DBADRM C[C@@H](CC(=O)N1CCN(CCC(=O)N(C)C)CC1)NC(=O)[O-] ZINC000824589351 604764353 /nfs/dbraw/zinc/76/43/53/604764353.db2.gz BUKWZHSGZQOIDU-NSHDSACASA-N -1 0 314.386 -0.345 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000827514152 604764455 /nfs/dbraw/zinc/76/44/55/604764455.db2.gz KGZPECMVNSFSTA-NSHDSACASA-N -1 0 314.386 -0.345 20 0 DBADRM CC1(C)NC(=O)N(CCCC(=O)NC2CN(C(=O)[O-])C2)C1=O ZINC000739074052 604764832 /nfs/dbraw/zinc/76/48/32/604764832.db2.gz IHRUZYGCNSMYOP-UHFFFAOYSA-N -1 0 312.326 -0.425 20 0 DBADRM O=C([O-])N1CC(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 ZINC000740403099 604766119 /nfs/dbraw/zinc/76/61/19/604766119.db2.gz JBETYILUPPVDEN-JTQLQIEISA-N -1 0 318.333 -0.092 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000739752248 604767099 /nfs/dbraw/zinc/76/70/99/604767099.db2.gz IJDONXJNBLATFB-UHFFFAOYSA-N -1 0 313.335 -0.313 20 0 DBADRM CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC1CN(C(=O)[O-])C1 ZINC000739372990 604768747 /nfs/dbraw/zinc/76/87/47/604768747.db2.gz JLZSWJVEYYIATG-JTQLQIEISA-N -1 0 319.383 -0.331 20 0 DBADRM CCCN(C)S(=O)(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000826892800 604768748 /nfs/dbraw/zinc/76/87/48/604768748.db2.gz KQJOAIRBSUMPTM-UWVGGRQHSA-N -1 0 309.388 -0.070 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000739516450 604771145 /nfs/dbraw/zinc/77/11/45/604771145.db2.gz JTAXOCYBTWBCFG-UHFFFAOYSA-N -1 0 319.383 -0.474 20 0 DBADRM O=C([O-])N1CC(NC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000740402980 604777663 /nfs/dbraw/zinc/77/76/63/604777663.db2.gz FMJMCPQGDABRHL-RNFRBKRXSA-N -1 0 309.244 -0.078 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)N(C)C[C@H](O)CO)c(C(=O)[O-])c1C ZINC000833399881 604779338 /nfs/dbraw/zinc/77/93/38/604779338.db2.gz FMHWZGWGKNCMKV-VIFPVBQESA-N -1 0 312.322 -0.422 20 0 DBADRM CC(C)N1C(=O)C(=O)N(CCc2cn(CC(=O)[O-])nn2)C1=O ZINC000826956498 604779340 /nfs/dbraw/zinc/77/93/40/604779340.db2.gz SLNHEGPPMDMLEZ-UHFFFAOYSA-N -1 0 309.282 -0.896 20 0 DBADRM CC(=O)NCCNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000823580268 604779852 /nfs/dbraw/zinc/77/98/52/604779852.db2.gz QLMJJEOOJSDILS-SCZZXKLOSA-N -1 0 302.331 -0.811 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)nc1 ZINC000833761864 604788382 /nfs/dbraw/zinc/78/83/82/604788382.db2.gz BUIROIWDZYEMHW-LLVKDONJSA-N -1 0 317.298 -0.632 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)nc1 ZINC000833761865 604788490 /nfs/dbraw/zinc/78/84/90/604788490.db2.gz BUIROIWDZYEMHW-NSHDSACASA-N -1 0 317.298 -0.632 20 0 DBADRM C[C@@H]1CN(CCNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000826059227 604802574 /nfs/dbraw/zinc/80/25/74/604802574.db2.gz RYIFBGLJCGQXSG-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM CC1(C)CN(CCNC(=O)[C@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000825734915 604804022 /nfs/dbraw/zinc/80/40/22/604804022.db2.gz RRHXZGBXELBKHB-LLVKDONJSA-N -1 0 315.370 -0.408 20 0 DBADRM CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827954464 604806398 /nfs/dbraw/zinc/80/63/98/604806398.db2.gz TWYONDTWQUORAC-DTWKUNHWSA-N -1 0 317.367 -0.645 20 0 DBADRM CNC(=O)C(C)(C)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000230386989 604807452 /nfs/dbraw/zinc/80/74/52/604807452.db2.gz BXJDHSZHBKUCGQ-UHFFFAOYSA-N -1 0 303.340 -0.237 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1=O ZINC000824357015 604810445 /nfs/dbraw/zinc/81/04/45/604810445.db2.gz LBWXESVXIAOIRR-QWRGUYRKSA-N -1 0 313.354 -0.119 20 0 DBADRM CNC(=O)C1(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCCC1 ZINC000828533093 604811032 /nfs/dbraw/zinc/81/10/32/604811032.db2.gz ZWETYZXSYMYEOD-SNVBAGLBSA-N -1 0 313.354 -0.070 20 0 DBADRM COc1ncncc1NC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000829663185 604811616 /nfs/dbraw/zinc/81/16/16/604811616.db2.gz APDDKQFDUDQTIS-UHFFFAOYSA-N -1 0 324.341 -0.098 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000833785892 604812412 /nfs/dbraw/zinc/81/24/12/604812412.db2.gz DDQFNTMYGJNVTR-VIFPVBQESA-N -1 0 307.262 -0.662 20 0 DBADRM CN(CC(=O)N1CC[C@H](OCCN2CCOCC2)C1)C(=O)[O-] ZINC000828090849 604813183 /nfs/dbraw/zinc/81/31/83/604813183.db2.gz SBFGAUCEBSPPCD-LBPRGKRZSA-N -1 0 315.370 -0.454 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@@H](C3OCCO3)C2)C1 ZINC000832049623 604813188 /nfs/dbraw/zinc/81/31/88/604813188.db2.gz HJYXUKLXEPRHIH-GHMZBOCLSA-N -1 0 314.338 -0.023 20 0 DBADRM CN(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)[C@H]1CCCCNC1=O ZINC000827750828 604814024 /nfs/dbraw/zinc/81/40/24/604814024.db2.gz BERDMWVEUMUBFX-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000830800219 604816630 /nfs/dbraw/zinc/81/66/30/604816630.db2.gz WCCZFDGAQQGZGG-VHSXEESVSA-N -1 0 309.326 -0.604 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000830800271 604818648 /nfs/dbraw/zinc/81/86/48/604818648.db2.gz WNFSJQNMPKKGJB-WDEREUQCSA-N -1 0 323.353 -0.214 20 0 DBADRM COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC1CN(C(=O)[O-])C1 ZINC000829049392 604821265 /nfs/dbraw/zinc/82/12/65/604821265.db2.gz FQHGQKFPSQZYPI-VIFPVBQESA-N -1 0 324.341 -0.079 20 0 DBADRM CC(C)[C@H]1C(=O)NCCN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000824156348 604825246 /nfs/dbraw/zinc/82/52/46/604825246.db2.gz FCRAQYPRUJGWJZ-JQWIXIFHSA-N -1 0 313.354 -0.262 20 0 DBADRM CC1(C)COCCN1CCNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000825734947 604827858 /nfs/dbraw/zinc/82/78/58/604827858.db2.gz SPGGCMYZWXQHPO-LLVKDONJSA-N -1 0 315.370 -0.408 20 0 DBADRM CC1(C)COCCN1CCNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000825734948 604827877 /nfs/dbraw/zinc/82/78/77/604827877.db2.gz SPGGCMYZWXQHPO-NSHDSACASA-N -1 0 315.370 -0.408 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000833179052 604830822 /nfs/dbraw/zinc/83/08/22/604830822.db2.gz LHMFHCXVZPQTLY-ZJUUUORDSA-N -1 0 313.335 -0.803 20 0 DBADRM CC[C@H](C(=O)OCCc1cn(CC(=O)[O-])nn1)N1CCCC1=O ZINC000828604277 604838862 /nfs/dbraw/zinc/83/88/62/604838862.db2.gz YZBWCWDJOHCQJY-LLVKDONJSA-N -1 0 324.337 -0.151 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)O[C@H](C)C(=O)NCC(=O)[O-])C1 ZINC000828557490 604842196 /nfs/dbraw/zinc/84/21/96/604842196.db2.gz KSCLZVUXZSQYSM-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)N1CCN(C(=O)[O-])CC1 ZINC000824811115 604843342 /nfs/dbraw/zinc/84/33/42/604843342.db2.gz WUBRPSJDHDIYFY-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N[C@H](CC(=O)[O-])C(=O)OC)C1 ZINC000828556566 604845373 /nfs/dbraw/zinc/84/53/73/604845373.db2.gz DIPRINHBHDLLLX-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM CC(CO)(CO)NC(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000833519298 604849708 /nfs/dbraw/zinc/84/97/08/604849708.db2.gz SPUSFJKGXBSTRX-UHFFFAOYSA-N -1 0 318.355 -0.190 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCOC[C@@H]2CCOC2)C1 ZINC000831694203 604854946 /nfs/dbraw/zinc/85/49/46/604854946.db2.gz SJKPIQAVOFKRCE-MNOVXSKESA-N -1 0 302.327 -0.466 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000833665015 604856120 /nfs/dbraw/zinc/85/61/20/604856120.db2.gz AXYOFSMSQFWXIC-UHFFFAOYSA-N -1 0 318.355 -0.134 20 0 DBADRM COCC1(O)CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000833723011 604856206 /nfs/dbraw/zinc/85/62/06/604856206.db2.gz XEVXYTUAMHOVJN-UHFFFAOYSA-N -1 0 312.326 -0.027 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCn3c(nnc3C3CC3)C2)C1 ZINC000832059912 604856229 /nfs/dbraw/zinc/85/62/29/604856229.db2.gz CRNOKZLEMZOQCD-JTQLQIEISA-N -1 0 321.337 -0.124 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000827472670 604859241 /nfs/dbraw/zinc/85/92/41/604859241.db2.gz WIFFPZBXDMSQRS-ZJUUUORDSA-N -1 0 322.383 -0.305 20 0 DBADRM COC1(C(=O)N[C@H]2CC[S@](=O)C2)CCN(C(=O)[O-])CC1 ZINC000828855995 604865941 /nfs/dbraw/zinc/86/59/41/604865941.db2.gz JUWSZQCMASBNFG-LXGOIASLSA-N -1 0 304.368 -0.217 20 0 DBADRM CC(C)NC(=O)CNC(=S)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833501797 604870556 /nfs/dbraw/zinc/87/05/56/604870556.db2.gz JLUZTZQSTJLBTP-NSHDSACASA-N -1 0 317.411 -0.457 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000824809782 604873014 /nfs/dbraw/zinc/87/30/14/604873014.db2.gz KIOQJHLRCVERKA-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000832051796 604876067 /nfs/dbraw/zinc/87/60/67/604876067.db2.gz ZBFKKGSXUWTFNJ-NWDGAFQWSA-N -1 0 313.354 -0.702 20 0 DBADRM COCCOC[C@H]1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000829002040 604876845 /nfs/dbraw/zinc/87/68/45/604876845.db2.gz KNSWYZFJHJYHAO-NWDGAFQWSA-N -1 0 316.354 -0.123 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)NC2(C(=O)[O-])CCC2)C1=O ZINC000833564550 604879279 /nfs/dbraw/zinc/87/92/79/604879279.db2.gz SRMAPFUGXZDICF-CYBMUJFWSA-N -1 0 309.322 -0.170 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000832059922 604886425 /nfs/dbraw/zinc/88/64/25/604886425.db2.gz DAWBJZBCKYHHQH-LLVKDONJSA-N -1 0 311.338 -0.412 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000832048957 604891263 /nfs/dbraw/zinc/89/12/63/604891263.db2.gz BKMFSCIVSKBGNV-NEPJUHHUSA-N -1 0 324.337 -0.511 20 0 DBADRM CN(C)C(=O)CCCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833687283 604891400 /nfs/dbraw/zinc/89/14/00/604891400.db2.gz CMNXNYXFJYJVID-GFCCVEGCSA-N -1 0 315.370 -0.278 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)N[C@@H]1CCCn2ncnc21 ZINC000831375787 604891581 /nfs/dbraw/zinc/89/15/81/604891581.db2.gz PATYHNUXXULTHD-VHSXEESVSA-N -1 0 309.326 -0.002 20 0 DBADRM C[C@@]1(NC(=O)c2cn(CC(N)=O)nn2)CCCC[C@@H]1C(=O)[O-] ZINC000833572292 604892360 /nfs/dbraw/zinc/89/23/60/604892360.db2.gz MGDWBZTWSVTFQL-AMIZOPFISA-N -1 0 309.326 -0.473 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C[C@H]1C ZINC000828638727 604894473 /nfs/dbraw/zinc/89/44/73/604894473.db2.gz CNKIMYLFNWLRAT-BBBLOLIVSA-N -1 0 300.311 -0.367 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCCO[C@H]2CCOC2)C1 ZINC000831680051 604895297 /nfs/dbraw/zinc/89/52/97/604895297.db2.gz ATYAEUJGLBTKTO-WDEREUQCSA-N -1 0 302.327 -0.323 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1CCc1cn(CC(=O)[O-])nn1 ZINC000833589980 604896239 /nfs/dbraw/zinc/89/62/39/604896239.db2.gz XXOZYHSMPLMCQN-ARNPGYACSA-N -1 0 300.384 -0.254 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1CCc1cn(CC(=O)[O-])nn1 ZINC000833589977 604896362 /nfs/dbraw/zinc/89/63/62/604896362.db2.gz XXOZYHSMPLMCQN-ZJNREGCTSA-N -1 0 300.384 -0.254 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000827242016 604901450 /nfs/dbraw/zinc/90/14/50/604901450.db2.gz HEVMEZPEDCSNFX-VHSXEESVSA-N -1 0 314.342 -0.715 20 0 DBADRM CN(CCN1CCCC1=O)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828313092 604905368 /nfs/dbraw/zinc/90/53/68/604905368.db2.gz VIJCRPYGUPSBKZ-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM C[C@@H](OC(=O)CN(C)[C@@H]1CCSC1)C(=O)NCC(=O)[O-] ZINC000833529252 604905824 /nfs/dbraw/zinc/90/58/24/604905824.db2.gz NNRZNLUPPATBAO-RKDXNWHRSA-N -1 0 304.368 -0.444 20 0 DBADRM NC(=O)N1CC[C@H](NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831200245 604906450 /nfs/dbraw/zinc/90/64/50/604906450.db2.gz XWUIXQXBSIVKHY-IUCAKERBSA-N -1 0 300.315 -0.976 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000823833216 604906965 /nfs/dbraw/zinc/90/69/65/604906965.db2.gz MBIRUIWFKFKVFU-SECBINFHSA-N -1 0 322.383 -0.305 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(C)c2)C1)C(=O)[O-] ZINC000828235250 604907519 /nfs/dbraw/zinc/90/75/19/604907519.db2.gz FVKKAUXJSWILOV-VIFPVBQESA-N -1 0 309.326 -0.183 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)C(=O)Nc2cnn(C)c2)C1 ZINC000827815562 604907734 /nfs/dbraw/zinc/90/77/34/604907734.db2.gz BMKRAKBMPXPVNY-JTQLQIEISA-N -1 0 309.326 -0.041 20 0 DBADRM O=C([O-])NCCCNC(=O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000832613506 604909411 /nfs/dbraw/zinc/90/94/11/604909411.db2.gz OJCQETIETNTVBJ-UHFFFAOYSA-N -1 0 319.268 -0.139 20 0 DBADRM COCCN(CCC(=O)OC)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828979284 604910244 /nfs/dbraw/zinc/91/02/44/604910244.db2.gz DWLVYIGTBHCZBN-SNVBAGLBSA-N -1 0 318.326 -0.597 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])cn1 ZINC000831009418 604914160 /nfs/dbraw/zinc/91/41/60/604914160.db2.gz TYXSESJIWPXFND-PSASIEDQSA-N -1 0 309.326 -0.089 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)NC[C@H](O)c1cnn(C)c1 ZINC000829729132 604919102 /nfs/dbraw/zinc/91/91/02/604919102.db2.gz CEXHWJPGEFCYFF-UWVGGRQHSA-N -1 0 316.383 -0.041 20 0 DBADRM COc1ncc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1C(N)=O ZINC000829659592 604921806 /nfs/dbraw/zinc/92/18/06/604921806.db2.gz DHFFMUNDTSXFJN-APPZFPTMSA-N -1 0 324.293 -0.759 20 0 DBADRM NC(=O)CCn1ccc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)n1 ZINC000831189998 604927816 /nfs/dbraw/zinc/92/78/16/604927816.db2.gz JUODLCAXIDYUQU-MRVPVSSYSA-N -1 0 311.298 -0.924 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)[C@@H]3CCN(C(=O)[O-])C3)CC2)C1=O ZINC000828445162 604935858 /nfs/dbraw/zinc/93/58/58/604935858.db2.gz KQYRTDICHGBXJD-SECBINFHSA-N -1 0 324.337 -0.471 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@H]2c3ccccc3C[C@H]2O)nn1 ZINC000833121415 604940216 /nfs/dbraw/zinc/94/02/16/604940216.db2.gz GRFAFXJMSYFPOO-YPMHNXCESA-N -1 0 302.290 -0.249 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)[C@H](C)NC(=O)[O-])CC1 ZINC000833502891 604940527 /nfs/dbraw/zinc/94/05/27/604940527.db2.gz XGZMMZDIWXFCKX-JTQLQIEISA-N -1 0 300.359 -0.689 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000825779464 604942989 /nfs/dbraw/zinc/94/29/89/604942989.db2.gz ZQTOWDGQUGYRFA-ADYGGLEXSA-N -1 0 304.368 -0.267 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1)CN1CCOCC1 ZINC000824915019 604946367 /nfs/dbraw/zinc/94/63/67/604946367.db2.gz IIXFHARAARFBCV-NEPJUHHUSA-N -1 0 315.370 -0.550 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826094450 604946382 /nfs/dbraw/zinc/94/63/82/604946382.db2.gz YQBAYTLOOMWIIO-IUCAKERBSA-N -1 0 306.340 -0.989 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000826094303 604946519 /nfs/dbraw/zinc/94/65/19/604946519.db2.gz WEBSYJPCKNDBCT-ZJUUUORDSA-N -1 0 320.367 -0.599 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000738997684 604949684 /nfs/dbraw/zinc/94/96/84/604949684.db2.gz UUXBLQXWBAYMDL-QMMMGPOBSA-N -1 0 315.351 -0.253 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)NC2CN(C(=O)[O-])C2)s1 ZINC000740341338 604951037 /nfs/dbraw/zinc/95/10/37/604951037.db2.gz QJNULKGZFZRUEH-UHFFFAOYSA-N -1 0 319.364 -0.584 20 0 DBADRM CC1N=NC(=S)N1CCNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000830892740 604951645 /nfs/dbraw/zinc/95/16/45/604951645.db2.gz BQRKTJAIIUZKCQ-QMMMGPOBSA-N -1 0 315.355 -0.630 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)[O-])CC1 ZINC000833393138 604961726 /nfs/dbraw/zinc/96/17/26/604961726.db2.gz HIXCHWPUQJCFJV-IUCAKERBSA-N -1 0 315.326 -0.735 20 0 DBADRM C[C@@H](OC(=O)[C@H](C)NC(=O)[O-])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000833530791 604963121 /nfs/dbraw/zinc/96/31/21/604963121.db2.gz IXZQDISDNAREEB-DJLDLDEBSA-N -1 0 315.326 -0.702 20 0 DBADRM C[C@H](CN(C)[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000827442750 604964414 /nfs/dbraw/zinc/96/44/14/604964414.db2.gz QZHREXIFAXJVNS-BBBLOLIVSA-N -1 0 306.384 -0.669 20 0 DBADRM NC(=O)NC1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831209050 604969143 /nfs/dbraw/zinc/96/91/43/604969143.db2.gz YYIXXDUGYJXCDG-VIFPVBQESA-N -1 0 300.315 -0.976 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1=O ZINC000825858430 604970091 /nfs/dbraw/zinc/97/00/91/604970091.db2.gz BCJXGUVHYSECIT-VPOLOUISSA-N -1 0 311.338 -0.509 20 0 DBADRM C[C@@H](C(N)=O)N(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000833406915 604972614 /nfs/dbraw/zinc/97/26/14/604972614.db2.gz FRTNVBIBQBXXHO-GWCFXTLKSA-N -1 0 319.361 -0.170 20 0 DBADRM COC(=O)[C@H](NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000828607222 604976121 /nfs/dbraw/zinc/97/61/21/604976121.db2.gz IMQSELGMZSRMMM-GXSJLCMTSA-N -1 0 300.311 -0.177 20 0 DBADRM CC(C)N1C(=O)N[C@]2(CCN(C(=O)[C@H](C)NC(=O)[O-])C2)C1=O ZINC000833498682 604980751 /nfs/dbraw/zinc/98/07/51/604980751.db2.gz CILPRFVZCDNPSG-SDBXPKJASA-N -1 0 312.326 -0.426 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000833555037 604998269 /nfs/dbraw/zinc/99/82/69/604998269.db2.gz OTJZBPMLQWMDHA-RXMQYKEDSA-N -1 0 307.253 -0.459 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCCCCC(=O)[O-])cn1 ZINC000821363844 605009796 /nfs/dbraw/zinc/00/97/96/605009796.db2.gz FMKLFUHDWPZKBC-UHFFFAOYSA-N -1 0 301.324 -0.286 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)nc2)C[C@H]1C(=O)[O-] ZINC000833625476 605010043 /nfs/dbraw/zinc/01/00/43/605010043.db2.gz YCNRPTQSLFCFQU-VXNVDRBHSA-N -1 0 313.335 -0.478 20 0 DBADRM CC(=O)NCCNc1ncnc(NCCNC(C)=O)c1C(=O)[O-] ZINC000825875544 605013232 /nfs/dbraw/zinc/01/32/32/605013232.db2.gz CTULQUJAGADNLH-UHFFFAOYSA-N -1 0 324.341 -0.729 20 0 DBADRM CN(C)C(=O)CCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000833687792 605018538 /nfs/dbraw/zinc/01/85/38/605018538.db2.gz UUPCBAQCUNPDMK-UHFFFAOYSA-N -1 0 307.353 -0.402 20 0 DBADRM CCN(CC)C(=O)CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000833653829 605022130 /nfs/dbraw/zinc/02/21/30/605022130.db2.gz KEJOEZRELUYSMP-UHFFFAOYSA-N -1 0 321.380 -0.012 20 0 DBADRM CC(C)NC(=O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833503000 605024877 /nfs/dbraw/zinc/02/48/77/605024877.db2.gz ZJOGDGDVWVDLEP-UHFFFAOYSA-N -1 0 310.310 -0.697 20 0 DBADRM C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000833405687 605025288 /nfs/dbraw/zinc/02/52/88/605025288.db2.gz YCKBOADYMYREHL-WPRPVWTQSA-N -1 0 305.294 -0.537 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN2C(=O)OCC[C@H]2C1)C(=O)[O-] ZINC000833519930 605028010 /nfs/dbraw/zinc/02/80/10/605028010.db2.gz QSOFDMKEYNNAQN-IUCAKERBSA-N -1 0 306.340 -0.437 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000833677758 605029921 /nfs/dbraw/zinc/02/99/21/605029921.db2.gz BQQMZXURSMNDPH-ZDUSSCGKSA-N -1 0 312.301 -0.054 20 0 DBADRM COc1ccc(S(=O)(=O)NCCOCCO)cc1C(=O)[O-] ZINC000052925614 605030299 /nfs/dbraw/zinc/03/02/99/605030299.db2.gz OCROVDRFGXKBLR-UHFFFAOYSA-N -1 0 319.335 -0.319 20 0 DBADRM NC(=O)c1ccc(F)c(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000833762704 605035792 /nfs/dbraw/zinc/03/57/92/605035792.db2.gz SGOGYRBYGFFTTK-UHFFFAOYSA-N -1 0 324.268 -0.659 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000740342132 605066606 /nfs/dbraw/zinc/06/66/06/605066606.db2.gz YNBNAKXSKCGOCA-VIFPVBQESA-N -1 0 313.335 -0.184 20 0 DBADRM NC(=O)COCCNS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000230041360 605073022 /nfs/dbraw/zinc/07/30/22/605073022.db2.gz LFGDNFFGIZELGT-UHFFFAOYSA-N -1 0 308.337 -0.774 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)OCC(=O)N(C)Cc1cnn(C)c1 ZINC000827539519 605076001 /nfs/dbraw/zinc/07/60/01/605076001.db2.gz VKLRPDXZIHUCCL-JTQLQIEISA-N -1 0 312.326 -0.032 20 0 DBADRM CC(=O)N1CC[C@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])[C@@H](C)C1 ZINC000833393777 605079866 /nfs/dbraw/zinc/07/98/66/605079866.db2.gz MCFOPSAESUVVQJ-QXEWZRGKSA-N -1 0 306.384 -0.117 20 0 DBADRM NC(=O)COc1ccc(OC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831194860 605083264 /nfs/dbraw/zinc/08/32/64/605083264.db2.gz SVEQKDYBFQQPPU-LLVKDONJSA-N -1 0 324.289 -0.165 20 0 DBADRM CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000829665158 605086901 /nfs/dbraw/zinc/08/69/01/605086901.db2.gz RMAOBZYOTNZDQQ-AEJSXWLSSA-N -1 0 321.351 -0.126 20 0 DBADRM CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000829665162 605087059 /nfs/dbraw/zinc/08/70/59/605087059.db2.gz RMAOBZYOTNZDQQ-OPRDCNLKSA-N -1 0 321.351 -0.126 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC[C@H](C)NC(=O)[O-])c(=O)n(C)c1 ZINC000830089234 605090822 /nfs/dbraw/zinc/09/08/22/605090822.db2.gz FDVGFRMGYGWUMU-VIFPVBQESA-N -1 0 324.337 -0.205 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)NCCC(=O)N2CCOCC2)C1 ZINC000740589065 605092133 /nfs/dbraw/zinc/09/21/33/605092133.db2.gz QRXPIHDNZIFRPK-JTQLQIEISA-N -1 0 314.342 -0.713 20 0 DBADRM COCC(COC)OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000828905179 605092365 /nfs/dbraw/zinc/09/23/65/605092365.db2.gz ZIOBAKTTYOYBCM-UHFFFAOYSA-N -1 0 304.299 -0.987 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000740586386 605093466 /nfs/dbraw/zinc/09/34/66/605093466.db2.gz FEUMBLHCASCLSU-BDAKNGLRSA-N -1 0 305.356 -0.527 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000738859678 605098434 /nfs/dbraw/zinc/09/84/34/605098434.db2.gz JWIDQOAGZATALD-VIFPVBQESA-N -1 0 322.387 -0.634 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)CCN2CCCS2(=O)=O)C1 ZINC000740588789 605128056 /nfs/dbraw/zinc/12/80/56/605128056.db2.gz WFKQHWCESKHERG-VIFPVBQESA-N -1 0 305.356 -0.720 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000833480733 605137761 /nfs/dbraw/zinc/13/77/61/605137761.db2.gz SAXJMRQWGSPLPE-GHMZBOCLSA-N -1 0 315.370 -0.280 20 0 DBADRM CC(C)C[C@H](NC(=O)CNc1ccc2nnnn2n1)C(=O)[O-] ZINC000833492717 605149035 /nfs/dbraw/zinc/14/90/35/605149035.db2.gz QIBFLEHBQSOVSF-QMMMGPOBSA-N -1 0 307.314 -0.453 20 0 DBADRM C[C@H](C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)S(C)(=O)=O ZINC000833625737 605159593 /nfs/dbraw/zinc/15/95/93/605159593.db2.gz XQWMBDTXBIWHFL-VHSXEESVSA-N -1 0 306.384 -0.573 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(C)(C)S(C)(=O)=O ZINC000833621755 605161467 /nfs/dbraw/zinc/16/14/67/605161467.db2.gz NQSJMFVKVFGICM-SNVBAGLBSA-N -1 0 320.411 -0.183 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000833467598 605165021 /nfs/dbraw/zinc/16/50/21/605165021.db2.gz GULAQFKCBSVEHZ-UWVGGRQHSA-N -1 0 321.399 -0.229 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(c2cncc(C(=O)[O-])n2)CC1 ZINC000833502106 605168657 /nfs/dbraw/zinc/16/86/57/605168657.db2.gz NRXREZNTQIAHLP-UHFFFAOYSA-N -1 0 321.337 -0.652 20 0 DBADRM CN(C)c1cc2c(nn1)CCN(CN1C[C@@H](C(=O)[O-])CC1=O)C2 ZINC000833690596 605173830 /nfs/dbraw/zinc/17/38/30/605173830.db2.gz DQNDLGNOODTYEC-NSHDSACASA-N -1 0 319.365 -0.209 20 0 DBADRM CC1(C)CN(CN2C[C@H](C(=O)[O-])CC2=O)CCS1(=O)=O ZINC000833561755 605176474 /nfs/dbraw/zinc/17/64/74/605176474.db2.gz TWMNHYPPBTYOQG-SECBINFHSA-N -1 0 304.368 -0.614 20 0 DBADRM CC1(C)CN(CN2C[C@@H](C(=O)[O-])CC2=O)CCS1(=O)=O ZINC000833561756 605176529 /nfs/dbraw/zinc/17/65/29/605176529.db2.gz TWMNHYPPBTYOQG-VIFPVBQESA-N -1 0 304.368 -0.614 20 0 DBADRM O=C([O-])NCc1nnnn1CC(=O)NC(=O)NC1CCCC1 ZINC000832739033 605178538 /nfs/dbraw/zinc/17/85/38/605178538.db2.gz QQKYWGQDZPWGQI-UHFFFAOYSA-N -1 0 311.302 -0.791 20 0 DBADRM O=C([O-])NCc1nnnn1CCN1C(=O)NC2(CCCC2)C1=O ZINC000832744453 605178606 /nfs/dbraw/zinc/17/86/06/605178606.db2.gz LFUQAQPNKJVMOA-UHFFFAOYSA-N -1 0 323.313 -0.695 20 0 DBADRM O=C([O-])N1CC(NC(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000831699498 605180992 /nfs/dbraw/zinc/18/09/92/605180992.db2.gz KNLZUWUPUMMYEB-UHFFFAOYSA-N -1 0 305.356 -0.527 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000824959957 605185498 /nfs/dbraw/zinc/18/54/98/605185498.db2.gz ONGHFNKTSJURHT-IUCAKERBSA-N -1 0 307.372 -0.139 20 0 DBADRM O=C([O-])NC[C@H]1CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000832584158 605186990 /nfs/dbraw/zinc/18/69/90/605186990.db2.gz UCUNOUDLMOMGJI-ZJUUUORDSA-N -1 0 319.383 -0.137 20 0 DBADRM O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)NC1CCCC1 ZINC000831497228 605201040 /nfs/dbraw/zinc/20/10/40/605201040.db2.gz ALSVZJXCBBWKJP-SNVBAGLBSA-N -1 0 300.311 -0.033 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cc2ccn(C)n2)[C@@H](C(=O)[O-])C1 ZINC000833709865 605202768 /nfs/dbraw/zinc/20/27/68/605202768.db2.gz NFWQUPAWAAVQEP-GXSJLCMTSA-N -1 0 309.322 -0.173 20 0 DBADRM CN1C(=O)C(=O)N(CN(CCc2ccccc2)CC(=O)[O-])C1=O ZINC000833698389 605204973 /nfs/dbraw/zinc/20/49/73/605204973.db2.gz VNSKRNCHFOYDRO-UHFFFAOYSA-N -1 0 319.317 -0.006 20 0 DBADRM C[C@H](OC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000833527954 605212604 /nfs/dbraw/zinc/21/26/04/605212604.db2.gz HCMBVJQOOICDRP-ZETCQYMHSA-N -1 0 304.299 -0.356 20 0 DBADRM CC(C)N1CC[C@H](OC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000824363710 605217797 /nfs/dbraw/zinc/21/77/97/605217797.db2.gz WKJPJKFRZNJWNS-UWVGGRQHSA-N -1 0 300.311 -0.082 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827480903 605223169 /nfs/dbraw/zinc/22/31/69/605223169.db2.gz QLNMMHVDSCWFRA-SECBINFHSA-N -1 0 324.355 -0.762 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CSCN1C(=O)[O-])[C@@H]1CN(C)CCO1 ZINC000825093174 605223290 /nfs/dbraw/zinc/22/32/90/605223290.db2.gz MHJPKLIZNKKIEO-GUBZILKMSA-N -1 0 303.384 -0.125 20 0 DBADRM C[C@H](NC(=O)[C@H]1CSCN1C(=O)[O-])[C@@H]1CN(C)CCO1 ZINC000825093173 605223987 /nfs/dbraw/zinc/22/39/87/605223987.db2.gz MHJPKLIZNKKIEO-AEJSXWLSSA-N -1 0 303.384 -0.125 20 0 DBADRM COCCN(CC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC000828970671 605224797 /nfs/dbraw/zinc/22/47/97/605224797.db2.gz CNFAGCNVTOWGNR-QWRGUYRKSA-N -1 0 303.359 -0.552 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000827250425 605228279 /nfs/dbraw/zinc/22/82/79/605228279.db2.gz RXCFFOAXTHMYEQ-QMMMGPOBSA-N -1 0 317.298 -0.856 20 0 DBADRM COC(=O)Cn1cc([C@H](C)OC(=O)C2(NC(=O)[O-])CC2)nn1 ZINC000828700185 605265607 /nfs/dbraw/zinc/26/56/07/605265607.db2.gz QLCXLIVVKKPBNJ-ZETCQYMHSA-N -1 0 312.282 -0.145 20 0 DBADRM C[C@@H](CC(=O)NCCS(N)(=O)=O)C1CCN(C(=O)[O-])CC1 ZINC000824657417 605265794 /nfs/dbraw/zinc/26/57/94/605265794.db2.gz XZNGAYSEURNYJL-VIFPVBQESA-N -1 0 321.399 -0.193 20 0 DBADRM CC(C)C[C@@H](C(=O)N[C@H](CO)C(=O)[O-])N1CCCCC1=O ZINC000833474132 605268499 /nfs/dbraw/zinc/26/84/99/605268499.db2.gz LWNXCZMKIQHNKT-MNOVXSKESA-N -1 0 300.355 -0.025 20 0 DBADRM CC(=O)N(CCC(=O)N[C@H](CO)C(=O)[O-])Cc1ccccc1 ZINC000833389778 605268961 /nfs/dbraw/zinc/26/89/61/605268961.db2.gz WADMJEFSGJLFBR-CYBMUJFWSA-N -1 0 308.334 -0.013 20 0 DBADRM CS(=O)(=O)CCCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000829673471 605269654 /nfs/dbraw/zinc/26/96/54/605269654.db2.gz JVPJCIWNVPNPQY-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM CCC[C@@](C)(O)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000826727434 605271477 /nfs/dbraw/zinc/27/14/77/605271477.db2.gz FBHQTVKAALUWEM-CYBMUJFWSA-N -1 0 301.343 -0.524 20 0 DBADRM CCC[C@](C)(O)C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000826729037 605271708 /nfs/dbraw/zinc/27/17/08/605271708.db2.gz QQYGPUAVPPEALX-AWEZNQCLSA-N -1 0 315.370 -0.182 20 0 DBADRM CC(C)(C)OC(=O)N1CC(CC(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC000833432504 605281428 /nfs/dbraw/zinc/28/14/28/605281428.db2.gz LPJVQMGAVHXJSZ-VIFPVBQESA-N -1 0 302.327 -0.195 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCN([C@H]3CCOC3)CC2)C1 ZINC000831858844 605291611 /nfs/dbraw/zinc/29/16/11/605291611.db2.gz PNBJPPPLUSRYNC-NSHDSACASA-N -1 0 313.354 -0.702 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCN([C@H]3CCOC3)CC2)C1 ZINC000832049337 605291761 /nfs/dbraw/zinc/29/17/61/605291761.db2.gz FGSBVFJYIHIXKH-RYUDHWBXSA-N -1 0 313.354 -0.702 20 0 DBADRM Nc1ccnc(CNC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000831265300 605293833 /nfs/dbraw/zinc/29/38/33/605293833.db2.gz GLOUPNDUHVDHPU-VIFPVBQESA-N -1 0 309.326 -0.166 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC000833615280 605295630 /nfs/dbraw/zinc/29/56/30/605295630.db2.gz AEFYRYIMCIVYLG-MWLCHTKSSA-N -1 0 306.384 -0.270 20 0 DBADRM COC(=O)N1CC(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC000828705483 605296997 /nfs/dbraw/zinc/29/69/97/605296997.db2.gz VYCISYYQXQXZFX-JTQLQIEISA-N -1 0 315.326 -0.288 20 0 DBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2CCn3cnnc3C2)C1 ZINC000831996944 605299485 /nfs/dbraw/zinc/29/94/85/605299485.db2.gz KPFQKRNECCCNMV-JTQLQIEISA-N -1 0 309.326 -0.221 20 0 DBADRM CC[C@@H]1C(=O)NCCN1C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000826659807 605299935 /nfs/dbraw/zinc/29/99/35/605299935.db2.gz HCJISEHQTJHGCZ-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM CCN(CC(=O)N(C)C)C(=O)CCOC1CN(C(=O)[O-])C1 ZINC000833856522 605306229 /nfs/dbraw/zinc/30/62/29/605306229.db2.gz LJAVKZPHSZPBHK-UHFFFAOYSA-N -1 0 301.343 -0.308 20 0 DBADRM NC(=O)C1(CNC(=O)CCOC2CN(C(=O)[O-])C2)CCCC1 ZINC000833980546 605309515 /nfs/dbraw/zinc/30/95/15/605309515.db2.gz KUYOZNUUJOMORQ-UHFFFAOYSA-N -1 0 313.354 -0.083 20 0 DBADRM O=C([O-])NC1(C(=O)OCC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000834154820 605310058 /nfs/dbraw/zinc/31/00/58/605310058.db2.gz UWPWKONLGOQSJP-JTQLQIEISA-N -1 0 312.322 -0.033 20 0 DBADRM O=C([O-])N1CC(=CC(=O)OCC(=O)NCCCn2cccn2)C1 ZINC000834008492 605312530 /nfs/dbraw/zinc/31/25/30/605312530.db2.gz JKXBEDJNOJQMJW-UHFFFAOYSA-N -1 0 322.321 -0.147 20 0 DBADRM O=C([O-])N1CC(OCCC(=O)N2CCC[C@@H](OCCO)C2)C1 ZINC000834075303 605315491 /nfs/dbraw/zinc/31/54/91/605315491.db2.gz WUZFKAWCTBVHAN-LLVKDONJSA-N -1 0 316.354 -0.245 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCCN3C(=O)[O-])cnc21 ZINC000833937074 605315595 /nfs/dbraw/zinc/31/55/95/605315595.db2.gz AHPPPRVYYUOSFW-UHFFFAOYSA-N -1 0 319.277 -0.225 20 0 DBADRM COC[C@](C)(O)CNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000828896758 605317811 /nfs/dbraw/zinc/31/78/11/605317811.db2.gz LRGSGIRCKPJJKB-JOYOIKCWSA-N -1 0 306.384 -0.015 20 0 DBADRM O=C([O-])N1CCN(CC(=O)Nc2cnccc2CO)C(=O)C1 ZINC000834005704 605318258 /nfs/dbraw/zinc/31/82/58/605318258.db2.gz OLGIECFGIBNQTL-UHFFFAOYSA-N -1 0 308.294 -0.665 20 0 DBADRM COC(=O)C1=C(C)O[C@H](CN2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC000833703400 605318928 /nfs/dbraw/zinc/31/89/28/605318928.db2.gz IZSMKEOPCQKEFJ-ONGXEEELSA-N -1 0 312.322 -0.503 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCc2cccc(=O)[nH]2)C(=O)C1 ZINC000834004743 605321682 /nfs/dbraw/zinc/32/16/82/605321682.db2.gz FVKJGVYCLICECD-UHFFFAOYSA-N -1 0 308.294 -0.774 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)OCC(=O)NC(=O)NC1CC1 ZINC000834136934 605324578 /nfs/dbraw/zinc/32/45/78/605324578.db2.gz HCMFRNIZNBOQDG-LURJTMIESA-N -1 0 323.252 -0.191 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(c2ccccn2)CC1 ZINC000834194707 605335655 /nfs/dbraw/zinc/33/56/55/605335655.db2.gz NUYWTGAEUNIYLN-UHFFFAOYSA-N -1 0 321.337 -0.886 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N(Cc1cccnc1)C1CC1 ZINC000834193278 605335791 /nfs/dbraw/zinc/33/57/91/605335791.db2.gz NPKFKKASGRQKLY-UHFFFAOYSA-N -1 0 306.322 -0.044 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCc1ccc2c(c1)OCO2 ZINC000834195634 605336054 /nfs/dbraw/zinc/33/60/54/605336054.db2.gz CAWOWTVDETYTAD-UHFFFAOYSA-N -1 0 323.305 -0.542 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCN1Cc2ccccc2C1 ZINC000834195728 605339484 /nfs/dbraw/zinc/33/94/84/605339484.db2.gz FLDXGTXLCLLOLG-UHFFFAOYSA-N -1 0 320.349 -0.498 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NC[C@@H](O)c2cccnc2)C(=O)C1 ZINC000831484119 605340091 /nfs/dbraw/zinc/34/00/91/605340091.db2.gz BYAUDJRCNVNQAY-LLVKDONJSA-N -1 0 322.321 -0.947 20 0 DBADRM NS(=O)(=O)CCCOC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000831247326 605342270 /nfs/dbraw/zinc/34/22/70/605342270.db2.gz XUEKHBMOICEMSC-SECBINFHSA-N -1 0 324.355 -0.633 20 0 DBADRM O=C([O-])N1CCN(CCN2C(=O)N[C@H](CC(F)F)C2=O)CC1 ZINC000834112494 605343747 /nfs/dbraw/zinc/34/37/47/605343747.db2.gz BMBMOHUDLYDIGM-MRVPVSSYSA-N -1 0 320.296 -0.142 20 0 DBADRM O=C([O-])N1CCN(CCN2C(=O)N[C@@H](CC(F)F)C2=O)CC1 ZINC000834112495 605344617 /nfs/dbraw/zinc/34/46/17/605344617.db2.gz BMBMOHUDLYDIGM-QMMMGPOBSA-N -1 0 320.296 -0.142 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOc2ccccc2C1 ZINC000834193584 605344835 /nfs/dbraw/zinc/34/48/35/605344835.db2.gz HFGJPYRNCKAHKV-UHFFFAOYSA-N -1 0 307.306 -0.209 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1COc2ccccc2C1 ZINC000834195625 605344982 /nfs/dbraw/zinc/34/49/82/605344982.db2.gz DBOFHUHHUVIUHY-SNVBAGLBSA-N -1 0 307.306 -0.510 20 0 DBADRM O=C([O-])N1CC[C@@]2(C1)NC(=O)N(CC(=O)N1CCCC1)C2=O ZINC000831969839 605346099 /nfs/dbraw/zinc/34/60/99/605346099.db2.gz UHYHZQLKKZPOCF-ZDUSSCGKSA-N -1 0 310.310 -0.717 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1cc(F)ccc1F ZINC000834196941 605346586 /nfs/dbraw/zinc/34/65/86/605346586.db2.gz SCQNSXKBBJDJBU-UHFFFAOYSA-N -1 0 301.249 -0.035 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCc1ccc2c(c1)CCO2 ZINC000834196237 605348675 /nfs/dbraw/zinc/34/86/75/605348675.db2.gz JRJVPPNUPJGMLM-UHFFFAOYSA-N -1 0 321.333 -0.336 20 0 DBADRM CCn1c(C)nnc1CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O ZINC000827687271 605349387 /nfs/dbraw/zinc/34/93/87/605349387.db2.gz CJAVZVGAAJZKAI-ZDUSSCGKSA-N -1 0 322.325 -0.219 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000834197986 605349536 /nfs/dbraw/zinc/34/95/36/605349536.db2.gz CSFCZCODAOEBGK-UHFFFAOYSA-N -1 0 323.231 -0.232 20 0 DBADRM O=C(CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O)NCC1CC1 ZINC000831480137 605349699 /nfs/dbraw/zinc/34/96/99/605349699.db2.gz PCOXLDUDGCOXRU-CYBMUJFWSA-N -1 0 310.310 -0.813 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000834192752 605350476 /nfs/dbraw/zinc/35/04/76/605350476.db2.gz BETIBYGALAPBPG-GFCCVEGCSA-N -1 0 321.333 -0.030 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@H]1c1ccccc1 ZINC000834192756 605351053 /nfs/dbraw/zinc/35/10/53/605351053.db2.gz BETIBYGALAPBPG-LBPRGKRZSA-N -1 0 321.333 -0.030 20 0 DBADRM CN(CC1CC1)C(=O)CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O ZINC000828170516 605351380 /nfs/dbraw/zinc/35/13/80/605351380.db2.gz SUTJQJFIDDEADB-CQSZACIVSA-N -1 0 324.337 -0.471 20 0 DBADRM Cc1cc(CN2C(=O)N[C@]3(CCN(C(=O)[O-])C3)C2=O)nn1C ZINC000830035852 605351993 /nfs/dbraw/zinc/35/19/93/605351993.db2.gz GIAISTQPRQOCSA-ZDUSSCGKSA-N -1 0 307.310 -0.097 20 0 DBADRM Cn1cccc1C(=O)CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O ZINC000831026947 605352236 /nfs/dbraw/zinc/35/22/36/605352236.db2.gz RTJOWZDEXYVRFQ-CQSZACIVSA-N -1 0 320.305 -0.118 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000834195261 605352314 /nfs/dbraw/zinc/35/23/14/605352314.db2.gz BPXYKFSCDIEHGV-XXILOJSOSA-N -1 0 311.338 -0.556 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@H]1CCCn2ccnc21 ZINC000834196625 605352470 /nfs/dbraw/zinc/35/24/70/605352470.db2.gz OMMKSUIMQMSLEX-VIFPVBQESA-N -1 0 309.326 -0.740 20 0 DBADRM CCN(C1CN(C(=O)[O-])C1)S(=O)(=O)CCS(C)(=O)=O ZINC000826992246 605355451 /nfs/dbraw/zinc/35/54/51/605355451.db2.gz FGYRGUDPNLCUCE-UHFFFAOYSA-N -1 0 314.385 -0.955 20 0 DBADRM CCN(C1CN(C(=O)[O-])C1)S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000826992861 605356462 /nfs/dbraw/zinc/35/64/62/605356462.db2.gz WAAYJIPZQNSFOJ-MRVPVSSYSA-N -1 0 308.356 -0.191 20 0 DBADRM O=C([O-])N1CC[C@H](CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000834029025 605358666 /nfs/dbraw/zinc/35/86/66/605358666.db2.gz QTLITOYVQDRRGD-ZJUUUORDSA-N -1 0 319.383 -0.280 20 0 DBADRM Cn1c(NCC2(NC(=O)[O-])CCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000833941935 605361438 /nfs/dbraw/zinc/36/14/38/605361438.db2.gz HWIQHUYYJWYCHU-UHFFFAOYSA-N -1 0 322.325 -0.025 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCOc1ccc(F)cc1 ZINC000834197263 605364175 /nfs/dbraw/zinc/36/41/75/605364175.db2.gz YZKCBKFDLKWGJE-UHFFFAOYSA-N -1 0 313.285 -0.296 20 0 DBADRM COC[C@@](C)(O)CNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000828896964 605365080 /nfs/dbraw/zinc/36/50/80/605365080.db2.gz MXZJWGYIDGDZRB-GWCFXTLKSA-N -1 0 304.343 -0.341 20 0 DBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)NCC1(O)CCOCC1 ZINC000831512489 605365873 /nfs/dbraw/zinc/36/58/73/605365873.db2.gz BJOZFGAHPIBAKW-NSHDSACASA-N -1 0 316.354 -0.197 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCC1Cc2ccccc2C1 ZINC000834196924 605370164 /nfs/dbraw/zinc/37/01/64/605370164.db2.gz ROYDGNKCJSGCEV-UHFFFAOYSA-N -1 0 305.334 -0.099 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000834199530 605372591 /nfs/dbraw/zinc/37/25/91/605372591.db2.gz ZZWWWPNGLQHBRD-UHFFFAOYSA-N -1 0 310.192 -0.854 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@H](C)NC(=O)[O-])C[C@H]1C ZINC000833878159 605374358 /nfs/dbraw/zinc/37/43/58/605374358.db2.gz DXPBPULCWOFWAE-ZJUUUORDSA-N -1 0 301.343 -0.262 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000833434214 605375515 /nfs/dbraw/zinc/37/55/15/605375515.db2.gz RGAYRLYWZWCFQO-ZDUSSCGKSA-N -1 0 304.318 -0.057 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1nc2c(s1)COCC2 ZINC000834198804 605378360 /nfs/dbraw/zinc/37/83/60/605378360.db2.gz NVHCAMZQLUVHKM-UHFFFAOYSA-N -1 0 314.323 -0.462 20 0 DBADRM C[S@@](=O)c1cccc(NC(=O)CNC(=O)CNC(=O)[O-])c1 ZINC000833892841 605379464 /nfs/dbraw/zinc/37/94/64/605379464.db2.gz DLNRJIDEUNTQTM-OAQYLSRUSA-N -1 0 313.335 -0.254 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NC[C@@H](O)COCC1CC1 ZINC000831381477 605380385 /nfs/dbraw/zinc/38/03/85/605380385.db2.gz KOTCUNDBCKEWSM-VXGBXAGGSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OC[C@H]1COc2ccccc2O1 ZINC000834198323 605384068 /nfs/dbraw/zinc/38/40/68/605384068.db2.gz FGXUUTPIADYYEQ-SECBINFHSA-N -1 0 324.289 -0.247 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OC[C@@H]1COc2ccccc2O1 ZINC000834198325 605384185 /nfs/dbraw/zinc/38/41/85/605384185.db2.gz FGXUUTPIADYYEQ-VIFPVBQESA-N -1 0 324.289 -0.247 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OCc1cccc2c1OCCO2 ZINC000834199468 605384325 /nfs/dbraw/zinc/38/43/25/605384325.db2.gz XOJRFUDECCDURG-UHFFFAOYSA-N -1 0 324.289 -0.115 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OC[C@H]1Cc2ccccc2O1 ZINC000834199429 605384749 /nfs/dbraw/zinc/38/47/49/605384749.db2.gz VQSJGLRBCDCIJU-SNVBAGLBSA-N -1 0 308.290 -0.083 20 0 DBADRM Cc1sc(C(N)=O)cc1NC(=O)CNC(=O)CNC(=O)[O-] ZINC000833936457 605388149 /nfs/dbraw/zinc/38/81/49/605388149.db2.gz LZUCJDANQVUVCH-UHFFFAOYSA-N -1 0 314.323 -0.522 20 0 DBADRM C[C@@H](NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)C(=O)N(C)C ZINC000825121271 605388246 /nfs/dbraw/zinc/38/82/46/605388246.db2.gz KOXLHKMYCOVTQA-ZJUUUORDSA-N -1 0 301.343 -0.262 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000834194446 605388460 /nfs/dbraw/zinc/38/84/60/605388460.db2.gz XWZOZIATUIDJSI-UHFFFAOYSA-N -1 0 309.326 -0.501 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H](CCO)c1cccs1 ZINC000834197290 605391450 /nfs/dbraw/zinc/39/14/50/605391450.db2.gz QKWPLROFFNMRON-QMMMGPOBSA-N -1 0 315.351 -0.328 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000834197967 605393262 /nfs/dbraw/zinc/39/32/62/605393262.db2.gz ZWSWHGNPBPHPMR-GWCFXTLKSA-N -1 0 307.306 -0.855 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000831284306 605393485 /nfs/dbraw/zinc/39/34/85/605393485.db2.gz UYMLFRJANKLENM-QWRGUYRKSA-N -1 0 315.395 -0.028 20 0 DBADRM O=C([O-])N1CC[C@H](CNC(=O)NCc2nnnn2C2CC2)C1 ZINC000834049318 605396194 /nfs/dbraw/zinc/39/61/94/605396194.db2.gz OMCMNRNEPFCKDD-MRVPVSSYSA-N -1 0 309.330 -0.193 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NC[C@H](O)COCC1CC1 ZINC000831619714 605403837 /nfs/dbraw/zinc/40/38/37/605403837.db2.gz BJHMVJPSGSEOLE-UWVGGRQHSA-N -1 0 304.368 -0.057 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NCCN1CCCC1 ZINC000833896058 605405235 /nfs/dbraw/zinc/40/52/35/605405235.db2.gz ZAIKHMTYCMWTME-JTQLQIEISA-N -1 0 321.399 -0.731 20 0 DBADRM COCCN(CCNC(=O)N[C@H]1CCCCNC1=O)C(=O)[O-] ZINC000833885771 605406104 /nfs/dbraw/zinc/40/61/04/605406104.db2.gz JTKBJMAZWGSRSJ-JTQLQIEISA-N -1 0 316.358 -0.419 20 0 DBADRM O=C([O-])N1CCN(CCNS(=O)(=O)c2ccccn2)CC1 ZINC000834112570 605406336 /nfs/dbraw/zinc/40/63/36/605406336.db2.gz FHFBXFQFAHKIQR-UHFFFAOYSA-N -1 0 314.367 -0.345 20 0 DBADRM O=C([O-])N1CCCC[C@H]1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000831620657 605406558 /nfs/dbraw/zinc/40/65/58/605406558.db2.gz HXOXSYITLMMYCJ-NEPJUHHUSA-N -1 0 315.370 -0.672 20 0 DBADRM CS(=O)(=O)NCCC(=O)O[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000829688906 605406587 /nfs/dbraw/zinc/40/65/87/605406587.db2.gz XBICVHJSXVRKNJ-BDAKNGLRSA-N -1 0 308.356 -0.095 20 0 DBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000833840673 605406651 /nfs/dbraw/zinc/40/66/51/605406651.db2.gz MTBPRRRKNRNZNV-BXUZGUMPSA-N -1 0 317.386 -0.520 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000833983229 605409148 /nfs/dbraw/zinc/40/91/48/605409148.db2.gz FRNBUQBWULLJCT-QMMMGPOBSA-N -1 0 312.257 -0.625 20 0 DBADRM COCCN(CCNC(=O)N[C@@H]1CCCN(C)C1=O)C(=O)[O-] ZINC000833885648 605413880 /nfs/dbraw/zinc/41/38/80/605413880.db2.gz IVXUHKSACCTCOP-SNVBAGLBSA-N -1 0 316.358 -0.467 20 0 DBADRM COCCN(CCNC(=O)N[C@@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC000833885148 605413887 /nfs/dbraw/zinc/41/38/87/605413887.db2.gz BCVAQRIDSYAUNL-SECBINFHSA-N -1 0 302.331 -0.857 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000833894762 605418027 /nfs/dbraw/zinc/41/80/27/605418027.db2.gz NLHAVTLFCVXAIN-BBBLOLIVSA-N -1 0 322.383 -0.523 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCSCC1 ZINC000833893676 605418410 /nfs/dbraw/zinc/41/84/10/605418410.db2.gz CTUPQERDQQIXPB-QMMMGPOBSA-N -1 0 310.397 -0.367 20 0 DBADRM Cn1ccsc1=NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-] ZINC000833958270 605423064 /nfs/dbraw/zinc/42/30/64/605423064.db2.gz WABKOXALFGDPTE-ZETCQYMHSA-N -1 0 321.380 -0.415 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NC[C@H]1CCN(C(=O)[O-])C1 ZINC000833870573 605424825 /nfs/dbraw/zinc/42/48/25/605424825.db2.gz RFZUDOJDQUWRTE-SNVBAGLBSA-N -1 0 321.399 -0.069 20 0 DBADRM CC(C)[C@H](C(=O)NCCNC(=O)[O-])N1CCCS1(=O)=O ZINC000824058350 605428463 /nfs/dbraw/zinc/42/84/63/605428463.db2.gz ZCQJIGRHYXISIB-SECBINFHSA-N -1 0 307.372 -0.570 20 0 DBADRM CC(C)[C@@H](C(=O)NCCNC(=O)[O-])N1CCCS1(=O)=O ZINC000824058351 605428568 /nfs/dbraw/zinc/42/85/68/605428568.db2.gz ZCQJIGRHYXISIB-VIFPVBQESA-N -1 0 307.372 -0.570 20 0 DBADRM CN(CC(C)(C)O)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-] ZINC000833870976 605432755 /nfs/dbraw/zinc/43/27/55/605432755.db2.gz QDLJTLWNZFAXMC-QMMMGPOBSA-N -1 0 310.372 -0.713 20 0 DBADRM CC(C)[C@@H](C(=O)NC1CN(C(=O)[O-])C1)N1CCCS1(=O)=O ZINC000824056979 605434301 /nfs/dbraw/zinc/43/43/01/605434301.db2.gz NHKUOMPMZHJXND-JTQLQIEISA-N -1 0 319.383 -0.475 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC1(C(N)=O)CC1 ZINC000833681432 605436500 /nfs/dbraw/zinc/43/65/00/605436500.db2.gz CDHWDAXPPRUKCL-UHFFFAOYSA-N -1 0 302.308 -0.164 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000833862930 605437493 /nfs/dbraw/zinc/43/74/93/605437493.db2.gz BXOQYHCDXZPHOP-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC[C@H](OCCO)C2)C1 ZINC000831851814 605438898 /nfs/dbraw/zinc/43/88/98/605438898.db2.gz CNJYLOZXLGCRHB-JTQLQIEISA-N -1 0 302.327 -0.635 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCC[C@H](OCCO)C1 ZINC000831284260 605440163 /nfs/dbraw/zinc/44/01/63/605440163.db2.gz ULMGTGYXJJPIEQ-WDEREUQCSA-N -1 0 302.327 -0.635 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCC[C@H](OCCO)C1 ZINC000831284257 605440186 /nfs/dbraw/zinc/44/01/86/605440186.db2.gz ULMGTGYXJJPIEQ-QWRGUYRKSA-N -1 0 302.327 -0.635 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000834199033 605440458 /nfs/dbraw/zinc/44/04/58/605440458.db2.gz SXSQQKHVPXFNMJ-UHFFFAOYSA-N -1 0 318.293 -0.206 20 0 DBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC000834242127 605443041 /nfs/dbraw/zinc/44/30/41/605443041.db2.gz YERDJTWRVODVLU-SECBINFHSA-N -1 0 310.310 -0.089 20 0 DBADRM COCCN(CCNC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000833885381 605443750 /nfs/dbraw/zinc/44/37/50/605443750.db2.gz DGUWUGIVCZBRQJ-SECBINFHSA-N -1 0 323.371 -0.901 20 0 DBADRM Cc1cc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cn(C)c1=O ZINC000830103765 605446291 /nfs/dbraw/zinc/44/62/91/605446291.db2.gz MVNBPDKIGDYJIQ-UHFFFAOYSA-N -1 0 322.321 -0.546 20 0 DBADRM COC1(C(=O)N[C@@H]2CCC(=O)NC2=O)CCN(C(=O)[O-])CC1 ZINC000828856243 605446964 /nfs/dbraw/zinc/44/69/64/605446964.db2.gz MIXDCKVVYGNNAB-MRVPVSSYSA-N -1 0 313.310 -0.933 20 0 DBADRM C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)OC(C)(C)C ZINC000825082109 605448396 /nfs/dbraw/zinc/44/83/96/605448396.db2.gz JNSUAXQMXQAICB-DJLDLDEBSA-N -1 0 302.327 -0.054 20 0 DBADRM O=C([O-])N1CC[C@H](C(=O)N(CCO)CCN2CCOCC2)C1 ZINC000831863732 605448514 /nfs/dbraw/zinc/44/85/14/605448514.db2.gz NIBFKXIYZONEFS-LBPRGKRZSA-N -1 0 315.370 -0.861 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000833983013 605450018 /nfs/dbraw/zinc/45/00/18/605450018.db2.gz DYPCQJVTXAXNNL-SNVBAGLBSA-N -1 0 318.293 -0.283 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000828656604 605454377 /nfs/dbraw/zinc/45/43/77/605454377.db2.gz USEJRYKCDZSILX-GUBZILKMSA-N -1 0 300.311 -0.346 20 0 DBADRM C[C@@H]1CN(c2ccc(C(=O)NCCO)nn2)C[C@H](C)N1C(=O)[O-] ZINC000826082578 605458243 /nfs/dbraw/zinc/45/82/43/605458243.db2.gz RJBAOTQEVMFQGU-AOOOYVTPSA-N -1 0 323.353 -0.224 20 0 DBADRM COCCN(CCNC(=O)NC[C@@]1(O)CCOC1)C(=O)[O-] ZINC000833886266 605460676 /nfs/dbraw/zinc/46/06/76/605460676.db2.gz RCLXDVSKCVNEDA-LBPRGKRZSA-N -1 0 305.331 -0.937 20 0 DBADRM C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)cn1C)C(=O)[O-] ZINC000820182928 605462222 /nfs/dbraw/zinc/46/22/22/605462222.db2.gz OFQGPAPDQNDIKJ-ZETCQYMHSA-N -1 0 304.324 -0.095 20 0 DBADRM CCS(=O)(=O)c1ccccc1C(=O)NC[C@H](O)C(=O)[O-] ZINC000090261538 605467587 /nfs/dbraw/zinc/46/75/87/605467587.db2.gz NXOLFMRXKMGXLZ-VIFPVBQESA-N -1 0 301.320 -0.345 20 0 DBADRM Cn1cnn(CC(=O)N2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)c1=O ZINC000833956750 605470329 /nfs/dbraw/zinc/47/03/29/605470329.db2.gz PBZFWTQJXPVPFV-AXFHLTTASA-N -1 0 323.353 -0.524 20 0 DBADRM Cn1cnn(CC(=O)N2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)c1=O ZINC000833956754 605470481 /nfs/dbraw/zinc/47/04/81/605470481.db2.gz PBZFWTQJXPVPFV-HBNTYKKESA-N -1 0 323.353 -0.524 20 0 DBADRM Cc1nonc1CNC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000833933982 605497461 /nfs/dbraw/zinc/49/74/61/605497461.db2.gz UXYGHFVTOYWUIE-JTQLQIEISA-N -1 0 313.314 -0.597 20 0 DBADRM COC[C@H]1CCN(C(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)C1 ZINC000833882912 605497535 /nfs/dbraw/zinc/49/75/35/605497535.db2.gz YJJRHIBTEOCCPR-JQWIXIFHSA-N -1 0 315.370 -0.110 20 0 DBADRM C[C@@H](C(=O)N1CCCC1)N1CC[NH+](C[C@@](C)(O)C(=O)[O-])CC1 ZINC000833403005 605498167 /nfs/dbraw/zinc/49/81/67/605498167.db2.gz CCEBKYMJGWEBJO-SWLSCSKDSA-N -1 0 313.398 -0.550 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000833689799 605502364 /nfs/dbraw/zinc/50/23/64/605502364.db2.gz XOALAQWSOROIGM-UHFFFAOYSA-N -1 0 316.335 -0.020 20 0 DBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NN1CCCCC1 ZINC000833895034 605504288 /nfs/dbraw/zinc/50/42/88/605504288.db2.gz PVLVDWOFCSKDKQ-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM Cc1oc(C(=O)N(C)CCN(C)C(=O)[O-])cc1S(N)(=O)=O ZINC000833936506 605506534 /nfs/dbraw/zinc/50/65/34/605506534.db2.gz YNQKKHKVSIIXHW-UHFFFAOYSA-N -1 0 319.339 -0.083 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)CC[C@H]2CCN(C(=O)[O-])C2)O1 ZINC000833982489 605507127 /nfs/dbraw/zinc/50/71/27/605507127.db2.gz WNJBYKYQVLGBRU-DCAQKATOSA-N -1 0 313.354 -0.084 20 0 DBADRM O=C([O-])N1CC(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1 ZINC000834289725 605515576 /nfs/dbraw/zinc/51/55/76/605515576.db2.gz OPWRVCRXYVYZFB-UHFFFAOYSA-N -1 0 319.321 -0.434 20 0 DBADRM C[C@@H](NC(=O)N(C)CCN(C)C(=O)[O-])[C@@H]1CN(C)CCO1 ZINC000833813560 605524252 /nfs/dbraw/zinc/52/42/52/605524252.db2.gz RFAJGFIBNQECPD-MNOVXSKESA-N -1 0 302.375 -0.043 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)N[C@@H](CO)C2CC2)CC1 ZINC000834038636 605529058 /nfs/dbraw/zinc/52/90/58/605529058.db2.gz KXONUGPBCXPLDN-LBPRGKRZSA-N -1 0 314.386 -0.258 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)N[C@H](CO)C2CC2)CC1 ZINC000834038634 605529076 /nfs/dbraw/zinc/52/90/76/605529076.db2.gz KXONUGPBCXPLDN-GFCCVEGCSA-N -1 0 314.386 -0.258 20 0 DBADRM COCCC1(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000828941248 605534043 /nfs/dbraw/zinc/53/40/43/605534043.db2.gz KZRKCKXPSVTFOE-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1S(=O)(=O)N1CCOCC1 ZINC000825845648 605539061 /nfs/dbraw/zinc/53/90/61/605539061.db2.gz QJNXDNZVJPEDGA-ZJUUUORDSA-N -1 0 307.372 -0.316 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCCN1CCCS1(=O)=O ZINC000824144261 605539448 /nfs/dbraw/zinc/53/94/48/605539448.db2.gz UNCZKICUSRGZFX-SECBINFHSA-N -1 0 308.356 -0.143 20 0 DBADRM NS(=O)(=O)CCNC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000831245272 605540168 /nfs/dbraw/zinc/54/01/68/605540168.db2.gz HJVWTNWJAGKZDM-NXEZZACHSA-N -1 0 321.399 -0.002 20 0 DBADRM O=C([O-])N1CC[C@H](CNC(=O)Cc2nc3ncccn3n2)C1 ZINC000834012252 605544639 /nfs/dbraw/zinc/54/46/39/605544639.db2.gz JQPFXWFUJGKCPE-SECBINFHSA-N -1 0 304.310 -0.217 20 0 DBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCOC[C@H]2CCO)C1 ZINC000834105959 605544671 /nfs/dbraw/zinc/54/46/71/605544671.db2.gz QKHHIAROXRGSAU-VXGBXAGGSA-N -1 0 316.354 -0.245 20 0 DBADRM O=C([O-])N(CC(=O)N1CCOC[C@H]1CCO)C[C@@H]1CCCO1 ZINC000834069874 605545001 /nfs/dbraw/zinc/54/50/01/605545001.db2.gz ZIGLUGZAMUEMEX-NEPJUHHUSA-N -1 0 316.354 -0.245 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000834172133 605546946 /nfs/dbraw/zinc/54/69/46/605546946.db2.gz INFOTRUJDDNDPW-HLTSFMKQSA-N -1 0 310.310 -0.815 20 0 DBADRM Cn1cnn(CC(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)c1=O ZINC000833957440 605548780 /nfs/dbraw/zinc/54/87/80/605548780.db2.gz UTLBVWWBRCRNPM-JTQLQIEISA-N -1 0 309.326 -0.675 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)OCCN2CCCS2(=O)=O)C1 ZINC000831913828 605551723 /nfs/dbraw/zinc/55/17/23/605551723.db2.gz APOHEEXIZXKTAP-NSHDSACASA-N -1 0 324.330 -0.343 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCOC[C@H]1c1ncon1 ZINC000834242334 605551764 /nfs/dbraw/zinc/55/17/64/605551764.db2.gz GLIIPYHAMWPUIQ-QMMMGPOBSA-N -1 0 300.271 -0.746 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)[C@H]1COCCN1C(=O)[O-] ZINC000833863446 605554870 /nfs/dbraw/zinc/55/48/70/605554870.db2.gz LZDKKMCMWNKHMH-SECBINFHSA-N -1 0 308.356 -0.742 20 0 DBADRM CN(C(=O)C[C@H]1CSCCN1C(=O)[O-])[C@@H]1CCNC1=O ZINC000833870340 605556715 /nfs/dbraw/zinc/55/67/15/605556715.db2.gz YVJKXBKPSLTVOP-DTWKUNHWSA-N -1 0 301.368 -0.181 20 0 DBADRM CC(C)N(CC(N)=O)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000824330312 605578670 /nfs/dbraw/zinc/57/86/70/605578670.db2.gz ZATLWUOMUFULKV-JTQLQIEISA-N -1 0 301.343 -0.132 20 0 DBADRM O=C([O-])N1CC[C@@H](N2CCN(C(=O)N3CCOCC3)CC2)C1 ZINC000834081844 605581450 /nfs/dbraw/zinc/58/14/50/605581450.db2.gz BXYWVPLMFLFFMU-GFCCVEGCSA-N -1 0 312.370 -0.192 20 0 DBADRM O=C([O-])N1CC[C@@H](CNC(=O)CNC(=O)c2ccncc2)C1 ZINC000834004447 605581726 /nfs/dbraw/zinc/58/17/26/605581726.db2.gz BDZKYPCFIMILIB-JTQLQIEISA-N -1 0 306.322 -0.073 20 0 DBADRM O=C([O-])N1CC[C@@H](N2CCN(CCN3C(=O)CCC3=O)CC2)C1 ZINC000834083727 605583491 /nfs/dbraw/zinc/58/34/91/605583491.db2.gz KJJDTXZHXRHZHC-GFCCVEGCSA-N -1 0 324.381 -0.495 20 0 DBADRM O=C([O-])N1CC[C@H](CNC(=O)CNC(=O)c2ccccn2)C1 ZINC000834004697 605584348 /nfs/dbraw/zinc/58/43/48/605584348.db2.gz HCCQJEQVNHWZHO-SNVBAGLBSA-N -1 0 306.322 -0.073 20 0 DBADRM NC(=O)CN(CC(N)=O)C(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833984516 605602667 /nfs/dbraw/zinc/60/26/67/605602667.db2.gz FFVXMWRKPZEWSW-SNVBAGLBSA-N -1 0 322.321 -0.815 20 0 DBADRM O=C([O-])N1CC(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000834066943 605605682 /nfs/dbraw/zinc/60/56/82/605605682.db2.gz SORUQDRRNQHSMD-UHFFFAOYSA-N -1 0 324.381 -0.637 20 0 DBADRM C[C@H](O)[C@@H]1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000167700916 605612875 /nfs/dbraw/zinc/61/28/75/605612875.db2.gz VDEAOFHJLXCARD-DTWKUNHWSA-N -1 0 303.340 -0.641 20 0 DBADRM COC(=O)[C@H]1CCCN1C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000828630412 605616658 /nfs/dbraw/zinc/61/66/58/605616658.db2.gz GRZOPROTMMKENK-LLVKDONJSA-N -1 0 313.354 -0.118 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000833955032 605623485 /nfs/dbraw/zinc/62/34/85/605623485.db2.gz CUOSGOZVTDTEEN-NSHDSACASA-N -1 0 323.353 -0.553 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCCN(C)C(=O)[O-])cn1 ZINC000833881258 605627605 /nfs/dbraw/zinc/62/76/05/605627605.db2.gz XZDLNFWYMQRIOR-UHFFFAOYSA-N -1 0 317.323 -0.244 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CCO1 ZINC000831178693 605633065 /nfs/dbraw/zinc/63/30/65/605633065.db2.gz LFNXBFAESQNHPR-BDAKNGLRSA-N -1 0 317.367 -0.815 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@@H]2CCN(C(=O)[O-])C2)ccc1=O ZINC000833949408 605634226 /nfs/dbraw/zinc/63/42/26/605634226.db2.gz IYNRIJWNCMEKQU-VIFPVBQESA-N -1 0 322.321 -0.560 20 0 DBADRM C[C@H]1CN(C(=O)NCCNC(=O)c2ccn[nH]2)C[C@H]1C(=O)[O-] ZINC000833620406 605637143 /nfs/dbraw/zinc/63/71/43/605637143.db2.gz FXLPYQMSSLLGTB-DTWKUNHWSA-N -1 0 309.326 -0.498 20 0 DBADRM O=C([O-])NC1(CC(=O)OCCN2CCOCC2=O)CCC1 ZINC000834153657 605642013 /nfs/dbraw/zinc/64/20/13/605642013.db2.gz DTSOJGYXKMOZRM-UHFFFAOYSA-N -1 0 300.311 -0.031 20 0 DBADRM CN(C)C(=O)CCNC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000827960126 605642370 /nfs/dbraw/zinc/64/23/70/605642370.db2.gz FQMZKPOWVMTWIB-UHFFFAOYSA-N -1 0 300.359 -0.687 20 0 DBADRM C[C@@H](CCNC(=O)c1ccc(S(N)(=O)=O)cn1)NC(=O)[O-] ZINC000833804334 605644347 /nfs/dbraw/zinc/64/43/47/605644347.db2.gz FFNDWZCWSLFVKL-ZETCQYMHSA-N -1 0 316.339 -0.495 20 0 DBADRM O=C([O-])N1CCSC[C@H]1CC(=O)N1CCS(=O)(=O)CC1 ZINC000831403488 605653966 /nfs/dbraw/zinc/65/39/66/605653966.db2.gz XFVPRGHDTKASRK-SECBINFHSA-N -1 0 322.408 -0.271 20 0 DBADRM O=C([O-])N1CCC[C@@H](OCC(=O)NCC2(CO)COC2)C1 ZINC000834011739 605662652 /nfs/dbraw/zinc/66/26/52/605662652.db2.gz ZXDDEPRZQRWEMN-SNVBAGLBSA-N -1 0 302.327 -0.730 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCC2(CO)COC2)cc1 ZINC000834263747 605663797 /nfs/dbraw/zinc/66/37/97/605663797.db2.gz XEKJKCHZOZIIGH-UHFFFAOYSA-N -1 0 323.305 -0.160 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NC[C@H](O)c2ccccn2)C(=O)C1 ZINC000834006601 605664644 /nfs/dbraw/zinc/66/46/44/605664644.db2.gz WYQFREUKSUOAHY-NSHDSACASA-N -1 0 322.321 -0.947 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)NCC2(O)CCOCC2)C1 ZINC000739407709 605664750 /nfs/dbraw/zinc/66/47/50/605664750.db2.gz SNIOJPBEZIHLBF-JTQLQIEISA-N -1 0 301.343 -0.031 20 0 DBADRM NC(=O)[C@@H]1COCCN1C(=O)[C@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833979084 605667239 /nfs/dbraw/zinc/66/72/39/605667239.db2.gz BXCLCXGBYLBACC-ZJUUUORDSA-N -1 0 311.338 -0.521 20 0 DBADRM O=C([O-])N1CCN(CC(=O)OCc2cnns2)C(=O)C1 ZINC000834005332 605668055 /nfs/dbraw/zinc/66/80/55/605668055.db2.gz MKNVIFYJBXVZCE-UHFFFAOYSA-N -1 0 300.296 -0.597 20 0 DBADRM NC(=O)[C@H]1COCCN1C(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000833979211 605668812 /nfs/dbraw/zinc/66/88/12/605668812.db2.gz DBPINQMFMYFTDN-RKDXNWHRSA-N -1 0 317.367 -0.815 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CCN2CCCS2(=O)=O)CCO1 ZINC000833821035 605668974 /nfs/dbraw/zinc/66/89/74/605668974.db2.gz XKZUQYSGYVPBBI-QWRGUYRKSA-N -1 0 321.399 -0.621 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cnn(CC(F)F)c1 ZINC000833982974 605669824 /nfs/dbraw/zinc/66/98/24/605669824.db2.gz DGISDSIIXVETTI-LURJTMIESA-N -1 0 305.241 -0.402 20 0 DBADRM Cn1nc2c(c1NC(=O)C(=O)N1CCN(C(=O)[O-])CC1)CCC2 ZINC000833956516 605677622 /nfs/dbraw/zinc/67/76/22/605677622.db2.gz CLXYAIRDNCPOIX-UHFFFAOYSA-N -1 0 321.337 -0.331 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000831200298 605679781 /nfs/dbraw/zinc/67/97/81/605679781.db2.gz YYLKZSFCNAHUHY-ZETCQYMHSA-N -1 0 318.355 -0.827 20 0 DBADRM CCC(CC)(NC(=O)CN1CCC(NC(=O)[O-])CC1)C(N)=O ZINC000826566549 605681236 /nfs/dbraw/zinc/68/12/36/605681236.db2.gz OACRBEPSMMANRI-UHFFFAOYSA-N -1 0 314.386 -0.121 20 0 DBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NCCNS(=O)(=O)CC ZINC000833841558 605682722 /nfs/dbraw/zinc/68/27/22/605682722.db2.gz PZZCUGTWBJILEE-LLVKDONJSA-N -1 0 309.388 -0.274 20 0 DBADRM CN(C[C@@H]1CN(C(=O)CCNC(=O)[O-])CCO1)c1cccnn1 ZINC000828267195 605683151 /nfs/dbraw/zinc/68/31/51/605683151.db2.gz QVOJLSVXKCLUFI-LLVKDONJSA-N -1 0 323.353 -0.202 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCO[C@@H](CN(C)c2cccnn2)C1 ZINC000825177147 605684841 /nfs/dbraw/zinc/68/48/41/605684841.db2.gz HGYBAAVCCLDIHY-MNOVXSKESA-N -1 0 323.353 -0.204 20 0 DBADRM CCNC(=O)NC(=O)CN1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC000833658238 605686926 /nfs/dbraw/zinc/68/69/26/605686926.db2.gz YCHHOOQPNGLJFH-IUCAKERBSA-N -1 0 315.326 -0.830 20 0 DBADRM COC(=O)[C@@H]1CCN(CC(=O)Nc2ccon2)[C@H](C(=O)[O-])C1 ZINC000833708205 605690056 /nfs/dbraw/zinc/69/00/56/605690056.db2.gz OJSIDXHGIJCSQJ-BDAKNGLRSA-N -1 0 311.294 -0.049 20 0 DBADRM CN(CCNC(=O)c1ccc(S(N)(=O)=O)cc1F)C(=O)[O-] ZINC000833872595 605690261 /nfs/dbraw/zinc/69/02/61/605690261.db2.gz NATRRJSENGWDRF-UHFFFAOYSA-N -1 0 319.314 -0.187 20 0 DBADRM Cn1cnnc1CCNC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000831046790 605700940 /nfs/dbraw/zinc/70/09/40/605700940.db2.gz VOJJQHNCKSLATR-UHFFFAOYSA-N -1 0 310.358 -0.794 20 0 DBADRM CNC(=O)[C@@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C(C)C ZINC000828527283 605705386 /nfs/dbraw/zinc/70/53/86/605705386.db2.gz YFYJQJIUPOSRTP-KOLCDFICSA-N -1 0 301.343 -0.358 20 0 DBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)CNC(=O)[O-])CC1 ZINC000827314074 605711296 /nfs/dbraw/zinc/71/12/96/605711296.db2.gz ZKXXUSBKLWQEMY-UHFFFAOYSA-N -1 0 315.326 -0.828 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)C1CCOCC1 ZINC000834005452 605717280 /nfs/dbraw/zinc/71/72/80/605717280.db2.gz FYSIKDUKGOTPRN-VHSXEESVSA-N -1 0 301.295 -0.362 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H](CO)c1ccc(F)cc1 ZINC000834196228 605723117 /nfs/dbraw/zinc/72/31/17/605723117.db2.gz JALPAJLNYRWUBT-SNVBAGLBSA-N -1 0 313.285 -0.641 20 0 DBADRM Cn1ccc(=O)n(Cc2nc(C(C)(C)NC(=O)[O-])no2)c1=O ZINC000833950751 605724745 /nfs/dbraw/zinc/72/47/45/605724745.db2.gz NICRCZOABGVYRU-UHFFFAOYSA-N -1 0 309.282 -0.519 20 0 DBADRM Cn1cc(S(=O)(=O)NCC2CN(C(=O)[O-])C2)nc1Cl ZINC000833950327 605726034 /nfs/dbraw/zinc/72/60/34/605726034.db2.gz GMNLWXOBPWUFKZ-UHFFFAOYSA-N -1 0 308.747 -0.038 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000823839202 605732412 /nfs/dbraw/zinc/73/24/12/605732412.db2.gz OVOUCXKFUNDIRA-UHLUBPPHSA-N -1 0 312.326 -0.521 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000825818519 605733576 /nfs/dbraw/zinc/73/35/76/605733576.db2.gz YWVNISRODGWLRJ-IUCAKERBSA-N -1 0 310.310 -0.404 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)Cc2ccncc2)CC1 ZINC000834013485 605734106 /nfs/dbraw/zinc/73/41/06/605734106.db2.gz LTIFWMHMXRIRGK-UHFFFAOYSA-N -1 0 306.322 -0.438 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000834033174 605736192 /nfs/dbraw/zinc/73/61/92/605736192.db2.gz FLVOSZHADIEUCC-SECBINFHSA-N -1 0 305.356 -0.527 20 0 DBADRM O=C([O-])N1CC(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000834068409 605740825 /nfs/dbraw/zinc/74/08/25/605740825.db2.gz VIAYDBMPWFQZKH-GFCCVEGCSA-N -1 0 312.370 -0.288 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NCC2(CO)CCOCC2)C1 ZINC000834085084 605743330 /nfs/dbraw/zinc/74/33/30/605743330.db2.gz PLFHSJVZAFIQJV-CYBMUJFWSA-N -1 0 304.318 -0.016 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NCC1(CO)CCOCC1 ZINC000834021671 605743356 /nfs/dbraw/zinc/74/33/56/605743356.db2.gz JCJTVXSTFKOIGM-VIFPVBQESA-N -1 0 304.368 -0.055 20 0 DBADRM Cn1cccc(NC(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])c1=O ZINC000828507299 605746742 /nfs/dbraw/zinc/74/67/42/605746742.db2.gz OCJYGQCWJHSROC-SNVBAGLBSA-N -1 0 323.353 -0.199 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc2c(c1)OCCO2 ZINC000833982262 605748890 /nfs/dbraw/zinc/74/88/90/605748890.db2.gz JULWYONXPXQWTJ-SECBINFHSA-N -1 0 323.305 -0.414 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1cn2ccccc2n1 ZINC000833981483 605750282 /nfs/dbraw/zinc/75/02/82/605750282.db2.gz FZDRSYVFDOILJZ-VIFPVBQESA-N -1 0 305.294 -0.538 20 0 DBADRM Cn1ncc2c1CCC[C@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833960960 605751879 /nfs/dbraw/zinc/75/18/79/605751879.db2.gz HQZLNLUBXMDRCM-RKDXNWHRSA-N -1 0 309.326 -0.575 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 ZINC000834020663 605751967 /nfs/dbraw/zinc/75/19/67/605751967.db2.gz VKEAZBXIVNZVOD-YUSALJHKSA-N -1 0 311.338 -0.650 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCCc1cn2c(n1)CCCC2 ZINC000833983374 605752342 /nfs/dbraw/zinc/75/23/42/605752342.db2.gz SXNDPIJUFURJGF-JTQLQIEISA-N -1 0 323.353 -0.610 20 0 DBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000825837764 605756043 /nfs/dbraw/zinc/75/60/43/605756043.db2.gz JKJZIDRRMXGNQV-DTWKUNHWSA-N -1 0 324.337 -0.655 20 0 DBADRM Cc1nccn1[C@H]1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])C1 ZINC000833919199 605756307 /nfs/dbraw/zinc/75/63/07/605756307.db2.gz UISPMFASDLTKAU-QWRGUYRKSA-N -1 0 323.353 -0.133 20 0 DBADRM Cn1c(Cl)cnc1CNC(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833941548 605756495 /nfs/dbraw/zinc/75/64/95/605756495.db2.gz BJWBYIDIAHZCCB-RXMQYKEDSA-N -1 0 303.706 -0.799 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1nc2ccccc2[nH]1 ZINC000833983646 605756623 /nfs/dbraw/zinc/75/66/23/605756623.db2.gz VLUXEWZMAQLOCW-VIFPVBQESA-N -1 0 305.294 -0.309 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccc2c(c1)CCO2 ZINC000833982250 605756663 /nfs/dbraw/zinc/75/66/63/605756663.db2.gz JFIJQMLFGFXAJS-JTQLQIEISA-N -1 0 307.306 -0.251 20 0 DBADRM Cc1cccn2cc(CNC(=O)[C@H](CC(N)=O)NC(=O)[O-])nc12 ZINC000833910923 605757581 /nfs/dbraw/zinc/75/75/81/605757581.db2.gz QGTHQSWZPPRUSB-JTQLQIEISA-N -1 0 319.321 -0.229 20 0 DBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)NCC1CN(C(=O)[O-])C1 ZINC000834009696 605757830 /nfs/dbraw/zinc/75/78/30/605757830.db2.gz BEVGJXCUCXHBEV-VIFPVBQESA-N -1 0 322.408 -0.367 20 0 DBADRM CC(C)c1nncn1CCNC(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833799252 605757991 /nfs/dbraw/zinc/75/79/91/605757991.db2.gz NHBFXIGWGMOZLH-QMMMGPOBSA-N -1 0 312.330 -0.971 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC000833981012 605758390 /nfs/dbraw/zinc/75/83/90/605758390.db2.gz ATHYTRPWNITDLB-JTQLQIEISA-N -1 0 322.321 -0.596 20 0 DBADRM O=C([O-])N1CC(CNC(=O)c2cnc3n(c2=O)CCS3)C1 ZINC000834039027 605758537 /nfs/dbraw/zinc/75/85/37/605758537.db2.gz XUGPLBNERQZARF-UHFFFAOYSA-N -1 0 310.335 -0.311 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000833985509 605759484 /nfs/dbraw/zinc/75/94/84/605759484.db2.gz ZRFWBOPLKLZJJS-VIFPVBQESA-N -1 0 306.278 -0.369 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)CCCC(=O)[O-])CC1 ZINC000833501715 605759763 /nfs/dbraw/zinc/75/97/63/605759763.db2.gz HSOCPRGWUDLOBA-UHFFFAOYSA-N -1 0 313.354 -0.563 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CCC(Cn2cccn2)CC1 ZINC000833979770 605759824 /nfs/dbraw/zinc/75/98/24/605759824.db2.gz HQYLKGNQZZZMCX-NSHDSACASA-N -1 0 323.353 -0.367 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834041397 605760193 /nfs/dbraw/zinc/76/01/93/605760193.db2.gz LJWGBJSSWYRWOG-QMMMGPOBSA-N -1 0 310.314 -0.809 20 0 DBADRM O=C([O-])N(CCNC(=O)NCCNC(=O)c1ccn[nH]1)C1CC1 ZINC000834041762 605760350 /nfs/dbraw/zinc/76/03/50/605760350.db2.gz PNRXUWKFYDRFFH-UHFFFAOYSA-N -1 0 324.341 -0.419 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000833981711 605761333 /nfs/dbraw/zinc/76/13/33/605761333.db2.gz WWRPPTWJPYYMPJ-GHMZBOCLSA-N -1 0 322.321 -0.427 20 0 DBADRM Cn1cc(C[C@@H]2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])C2)cn1 ZINC000833945877 605761555 /nfs/dbraw/zinc/76/15/55/605761555.db2.gz CEHUVSPZKJUBGH-GXSJLCMTSA-N -1 0 323.353 -0.677 20 0 DBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2C[C@H](O)C[C@H](O)C2)C1 ZINC000831998802 605762044 /nfs/dbraw/zinc/76/20/44/605762044.db2.gz WSRJHRRNPCAGLV-AXFHLTTASA-N -1 0 302.327 -0.901 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CNC(=O)C1CC1 ZINC000833707031 605767999 /nfs/dbraw/zinc/76/79/99/605767999.db2.gz NIICHXOFUGJCOQ-VHSXEESVSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CNC(=O)C1CC1 ZINC000833707032 605768303 /nfs/dbraw/zinc/76/83/03/605768303.db2.gz NIICHXOFUGJCOQ-ZJUUUORDSA-N -1 0 312.322 -0.623 20 0 DBADRM C=CC(=O)NCCC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC000833372382 605768829 /nfs/dbraw/zinc/76/88/29/605768829.db2.gz RTWJLPZADPAJSI-ZJUUUORDSA-N -1 0 312.322 -0.457 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CN2CCOCC2)[C@@H](C(=O)[O-])C1 ZINC000833711133 605770360 /nfs/dbraw/zinc/77/03/60/605770360.db2.gz TVWOPUNBLSAKQL-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cn2cccnc2=O)[C@H](C(=O)[O-])C1 ZINC000833707639 605771914 /nfs/dbraw/zinc/77/19/14/605771914.db2.gz GWYFPWUCSKTGLC-UWVGGRQHSA-N -1 0 323.305 -0.892 20 0 DBADRM O=C([O-])N1CC(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)C1 ZINC000834066826 605771948 /nfs/dbraw/zinc/77/19/48/605771948.db2.gz JRSHYILZLKCQMH-LBPRGKRZSA-N -1 0 323.353 -0.097 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cn2cccnc2=O)[C@@H](C(=O)[O-])C1 ZINC000833707640 605772204 /nfs/dbraw/zinc/77/22/04/605772204.db2.gz GWYFPWUCSKTGLC-VHSXEESVSA-N -1 0 323.305 -0.892 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000833981425 605774612 /nfs/dbraw/zinc/77/46/12/605774612.db2.gz DYMVPAOQBXBOFA-JBLDHEPKSA-N -1 0 307.306 -0.728 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000834051755 605775319 /nfs/dbraw/zinc/77/53/19/605775319.db2.gz LTZWYYDOWPVISQ-MGAJPHDKSA-N -1 0 306.318 -0.126 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000834018713 605775467 /nfs/dbraw/zinc/77/54/67/605775467.db2.gz LTZWYYDOWPVISQ-LPTSXCQYSA-N -1 0 306.318 -0.126 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NC[C@H](CO)c1ccccc1 ZINC000831616199 605776806 /nfs/dbraw/zinc/77/68/06/605776806.db2.gz PTHUMDSJKJCEIM-UPJWGTAASA-N -1 0 308.334 -0.008 20 0 DBADRM CN1CC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000828453072 605786604 /nfs/dbraw/zinc/78/66/04/605786604.db2.gz YCPDEJJTLXXDFC-SNVBAGLBSA-N -1 0 324.337 -0.376 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NCCCN(C)S(C)(=O)=O ZINC000833806631 605790738 /nfs/dbraw/zinc/79/07/38/605790738.db2.gz FOHMMBZXMOQFMM-VIFPVBQESA-N -1 0 324.403 -0.529 20 0 DBADRM Cn1nnnc1CCNC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833960063 605791831 /nfs/dbraw/zinc/79/18/31/605791831.db2.gz GCJWVDMOFSATRZ-SECBINFHSA-N -1 0 311.346 -0.558 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NCCCN1C(=O)CCC1=O ZINC000833807811 605792219 /nfs/dbraw/zinc/79/22/19/605792219.db2.gz NFUYVLODAAXCAB-SECBINFHSA-N -1 0 314.342 -0.272 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NCCN1C(=O)CCC1=O ZINC000833806040 605792280 /nfs/dbraw/zinc/79/22/80/605792280.db2.gz BWUNYLYBKGYNOX-MRVPVSSYSA-N -1 0 300.315 -0.662 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834144831 605793163 /nfs/dbraw/zinc/79/31/63/605793163.db2.gz MDMNZYLWJNSEOB-IUCAKERBSA-N -1 0 305.356 -0.481 20 0 DBADRM Cn1nnnc1CCNC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000833960429 605793465 /nfs/dbraw/zinc/79/34/65/605793465.db2.gz KSCSNJFQEIYWTL-UHFFFAOYSA-N -1 0 311.346 -0.369 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NCCc1nnnn1C ZINC000833794546 605793964 /nfs/dbraw/zinc/79/39/64/605793964.db2.gz LBTUYELQNHNMTM-VIFPVBQESA-N -1 0 313.362 -0.266 20 0 DBADRM Cn1nnnc1CCNC(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000833961154 605797069 /nfs/dbraw/zinc/79/70/69/605797069.db2.gz QYQOLUFQURECKG-UHFFFAOYSA-N -1 0 311.346 -0.558 20 0 DBADRM Cn1nnnc1CCNC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000833961438 605807460 /nfs/dbraw/zinc/80/74/60/605807460.db2.gz SGCBRLBVUHUSSO-UHFFFAOYSA-N -1 0 304.310 -0.050 20 0 DBADRM C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N(C)CC(=O)[O-] ZINC000819883102 605808523 /nfs/dbraw/zinc/80/85/23/605808523.db2.gz ONGSNCJWGIBPRG-LLVKDONJSA-N -1 0 323.349 -0.031 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000833808727 605813507 /nfs/dbraw/zinc/81/35/07/605813507.db2.gz GKVQQAJCGBUVEH-SSDOTTSWSA-N -1 0 300.315 -0.663 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)N1CCN(C(=O)[O-])CC1)CC2 ZINC000833928345 605823713 /nfs/dbraw/zinc/82/37/13/605823713.db2.gz RIJAWOYUEDPIPO-SNVBAGLBSA-N -1 0 308.342 -0.093 20 0 DBADRM Cc1nnc2n1C[C@@H](NC(=O)NCC1CN(C(=O)[O-])C1)CC2 ZINC000833928419 605824443 /nfs/dbraw/zinc/82/44/43/605824443.db2.gz SCZZMKXHLDSJFN-JTQLQIEISA-N -1 0 308.342 -0.190 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)CCC[C@]1(C)NC(=O)NC1=O ZINC000833808025 605827332 /nfs/dbraw/zinc/82/73/32/605827332.db2.gz ALBCJRCPGVGNGX-OQPBUACISA-N -1 0 314.342 -0.225 20 0 DBADRM Cc1nnc(CN(C)CC(=O)NC[C@@H](C)CNC(=O)[O-])n1C ZINC000833924762 605827654 /nfs/dbraw/zinc/82/76/54/605827654.db2.gz XQRVFCFMFMTTGX-SECBINFHSA-N -1 0 312.374 -0.425 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCc3nc[nH]c(=O)c3C2)C1 ZINC000834118070 605833931 /nfs/dbraw/zinc/83/39/31/605833931.db2.gz MMCWULCRRLSEEB-VIFPVBQESA-N -1 0 322.321 -0.164 20 0 DBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NCCc1ccc[nH]1 ZINC000833893538 605834955 /nfs/dbraw/zinc/83/49/55/605834955.db2.gz CHFBXDNPCKKZES-SNVBAGLBSA-N -1 0 317.367 -0.256 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000825840058 605836922 /nfs/dbraw/zinc/83/69/22/605836922.db2.gz XJBRWAFBQRTRAO-HTQZYQBOSA-N -1 0 310.310 -0.253 20 0 DBADRM CCNC(=O)CC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000833860474 605838101 /nfs/dbraw/zinc/83/81/01/605838101.db2.gz XCGAUVJFNHEUKK-UHFFFAOYSA-N -1 0 300.359 -0.733 20 0 DBADRM Cn1nnnc1CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000833960735 605846829 /nfs/dbraw/zinc/84/68/29/605846829.db2.gz MPOOGVCEOBFAPI-LLVKDONJSA-N -1 0 318.337 -0.252 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000834020502 605852006 /nfs/dbraw/zinc/85/20/06/605852006.db2.gz BPTQBYSLFJVLBC-LSJOCFKGSA-N -1 0 311.338 -0.773 20 0 DBADRM Cc1cc(S(N)(=O)=O)cc(C(=O)NCCNC(=O)[O-])c1C ZINC000833901535 605855324 /nfs/dbraw/zinc/85/53/24/605855324.db2.gz PQPNNJUZHYIIRV-UHFFFAOYSA-N -1 0 315.351 -0.052 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)CNC(=O)Cc2ccc(O)cc2)C1 ZINC000834013178 605856413 /nfs/dbraw/zinc/85/64/13/605856413.db2.gz SVZSDQLHQTZAAF-LLVKDONJSA-N -1 0 321.333 -0.081 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)N1CCS(=O)(=O)CC1)C1CC1 ZINC000834147353 605856584 /nfs/dbraw/zinc/85/65/84/605856584.db2.gz VAXNOQFTQLXQCO-VIFPVBQESA-N -1 0 305.356 -0.527 20 0 DBADRM CC[C@@]1(C(=O)NCCN2CCNC(=O)C2)CCCN1C(=O)[O-] ZINC000833842922 605861466 /nfs/dbraw/zinc/86/14/66/605861466.db2.gz BWFOXKAOONPCFI-AWEZNQCLSA-N -1 0 312.370 -0.543 20 0 DBADRM O=C([O-])N1CC(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000834070121 605870733 /nfs/dbraw/zinc/87/07/33/605870733.db2.gz NUNHOIWPQQHCOY-SECBINFHSA-N -1 0 316.339 -0.515 20 0 DBADRM Cc1ncc(C(=O)NCCCN2CCN(C(=O)[O-])CC2)c(N)n1 ZINC000830805472 605875373 /nfs/dbraw/zinc/87/53/73/605875373.db2.gz ZKWOOJXZXZJUTG-UHFFFAOYSA-N -1 0 322.369 -0.217 20 0 DBADRM CC(C)(C(=O)N1CCO[C@@H](CO)C1)N1CCN(C(=O)[O-])CC1 ZINC000823737915 605876648 /nfs/dbraw/zinc/87/66/48/605876648.db2.gz OXRUIYQPCFCZTG-LLVKDONJSA-N -1 0 315.370 -0.720 20 0 DBADRM O=C([O-])NC1(C(=O)NCCN2CCNC(=O)C2)CCCCC1 ZINC000834150391 605879150 /nfs/dbraw/zinc/87/91/50/605879150.db2.gz BVCRXRDLMRXRMO-UHFFFAOYSA-N -1 0 312.370 -0.495 20 0 DBADRM C[C@@H](CC(=O)N1CCCC[C@H]1CS(N)(=O)=O)NC(=O)[O-] ZINC000824583575 605879608 /nfs/dbraw/zinc/87/96/08/605879608.db2.gz UXTLBTUAVJFKLX-IUCAKERBSA-N -1 0 307.372 -0.298 20 0 DBADRM O=C([O-])NCCNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000834244127 605885581 /nfs/dbraw/zinc/88/55/81/605885581.db2.gz UEWCBBSIVASLAY-UHFFFAOYSA-N -1 0 319.383 -0.426 20 0 DBADRM O=C([O-])N1CC[C@H](N(C(=O)C[C@@H]2NC(=O)NC2=O)C2CC2)C1 ZINC000834288366 605888100 /nfs/dbraw/zinc/88/81/00/605888100.db2.gz FJJFZFLZOXRTBL-IUCAKERBSA-N -1 0 310.310 -0.672 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)OCCN1C(=O)CNC1=O ZINC000823854314 605888670 /nfs/dbraw/zinc/88/86/70/605888670.db2.gz IZJINTAPCKCGNG-MRVPVSSYSA-N -1 0 301.299 -0.236 20 0 DBADRM Cn1cccc(NC(=O)C(=O)NC[C@@H](NC(=O)[O-])C2CC2)c1=O ZINC000833953502 605890608 /nfs/dbraw/zinc/89/06/08/605890608.db2.gz YDYUXWSUQPLQBD-SNVBAGLBSA-N -1 0 322.321 -0.514 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)CCCCNC(=O)[O-])C1 ZINC000833985963 605893160 /nfs/dbraw/zinc/89/31/60/605893160.db2.gz CKRIWXUOMZPTMJ-SECBINFHSA-N -1 0 307.372 -0.296 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)[C@@H]2CC23CCN(C(=O)[O-])CC3)CCO1 ZINC000833980482 605904001 /nfs/dbraw/zinc/90/40/01/605904001.db2.gz MUFKIMVPUCVHAC-VHSXEESVSA-N -1 0 311.338 -0.521 20 0 DBADRM C[C@@H](CCNC(=O)c1ccnc2c(C(N)=O)cnn21)NC(=O)[O-] ZINC000833805329 605909308 /nfs/dbraw/zinc/90/93/08/605909308.db2.gz OMLUZLGDFQJQCY-ZETCQYMHSA-N -1 0 320.309 -0.396 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)C1CC1 ZINC000834141139 605916034 /nfs/dbraw/zinc/91/60/34/605916034.db2.gz UUWFLMSOWDPCMI-VIFPVBQESA-N -1 0 310.310 -0.911 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)N[C@@H](C)CCNC(=O)[O-])CCO1 ZINC000833876735 605916352 /nfs/dbraw/zinc/91/63/52/605916352.db2.gz ISJIVAPRGHGEPB-DTWKUNHWSA-N -1 0 302.331 -0.811 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NC[C@H](NC(=O)[O-])C(C)C)CCO1 ZINC000833876086 605916547 /nfs/dbraw/zinc/91/65/47/605916547.db2.gz DVCPCGPQIGZFGL-VHSXEESVSA-N -1 0 316.358 -0.565 20 0 DBADRM CN(CCNC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC000833872164 605917464 /nfs/dbraw/zinc/91/74/64/605917464.db2.gz GQNAKBKRLZSLFO-UHFFFAOYSA-N -1 0 302.312 -0.931 20 0 DBADRM O=C([O-])N[C@H]1CCN(CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000740594567 605919925 /nfs/dbraw/zinc/91/99/25/605919925.db2.gz QCOFSVSYWOWPNL-LURJTMIESA-N -1 0 312.248 -0.284 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC[C@H](NC(=O)[O-])C2)ccc1=O ZINC000833951282 605920346 /nfs/dbraw/zinc/92/03/46/605920346.db2.gz SNZFMNSQWPCJBR-VIFPVBQESA-N -1 0 322.321 -0.418 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)NC[C@H](C)CNC(=O)[O-] ZINC000833896956 605921876 /nfs/dbraw/zinc/92/18/76/605921876.db2.gz BWNXCSGFXSNTGT-QMMMGPOBSA-N -1 0 324.337 -0.348 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCCN(C)C(=O)[O-] ZINC000833897339 605921997 /nfs/dbraw/zinc/92/19/97/605921997.db2.gz IMWDPGPVDYIGPY-UHFFFAOYSA-N -1 0 310.310 -0.642 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H](C)CCNC(=O)[O-] ZINC000833897735 605922969 /nfs/dbraw/zinc/92/29/69/605922969.db2.gz OHMYEMCHIJSNLT-VIFPVBQESA-N -1 0 324.337 -0.205 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCC1CN(C(=O)[O-])C1 ZINC000833897732 605923342 /nfs/dbraw/zinc/92/33/42/605923342.db2.gz OFNTTWRANXJCNW-UHFFFAOYSA-N -1 0 322.321 -0.642 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000834242438 605929021 /nfs/dbraw/zinc/92/90/21/605929021.db2.gz IUFNYZBBLYFUGS-NSHDSACASA-N -1 0 311.342 -0.199 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)CC[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000833878767 605929875 /nfs/dbraw/zinc/92/98/75/605929875.db2.gz UMAWSYCNMNFUEX-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@H](CCSC)NC(=O)[O-])CCO1 ZINC000833875088 605931130 /nfs/dbraw/zinc/93/11/30/605931130.db2.gz JAMDICVAMZDUQW-IUCAKERBSA-N -1 0 319.383 -0.651 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@@H]2CSCN2C(=O)[O-])CCO1 ZINC000833876335 605931190 /nfs/dbraw/zinc/93/11/90/605931190.db2.gz GKCNVFAYOFZFJN-JGVFFNPUSA-N -1 0 303.340 -0.987 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@@]2(C)CCCN(C(=O)[O-])C2)CCO1 ZINC000833878855 605935422 /nfs/dbraw/zinc/93/54/22/605935422.db2.gz VEQOJPJXORIODF-HZMBPMFUSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(C)[C@H](NC(=O)CNC(=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000833794436 605939297 /nfs/dbraw/zinc/93/92/97/605939297.db2.gz ZZUWBMCDQNYZDL-ZETCQYMHSA-N -1 0 309.286 -0.064 20 0 DBADRM Cn1ncc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)c1C(F)F ZINC000833959295 605939402 /nfs/dbraw/zinc/93/94/02/605939402.db2.gz SXURLVKXODCBPI-UHFFFAOYSA-N -1 0 317.252 -0.225 20 0 DBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2ccn(CC(F)F)n2)C1 ZINC000834060184 605941388 /nfs/dbraw/zinc/94/13/88/605941388.db2.gz WKIWFOIALXOIDT-UHFFFAOYSA-N -1 0 317.252 -0.435 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000834162975 605941761 /nfs/dbraw/zinc/94/17/61/605941761.db2.gz HZIQYTFLKLBOIE-HLTSFMKQSA-N -1 0 310.310 -0.815 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000830948290 605949464 /nfs/dbraw/zinc/94/94/64/605949464.db2.gz ISOPPUKDEKKZHB-ZETCQYMHSA-N -1 0 317.323 -0.282 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)Nc2n[nH]c(SCCO)n2)C1 ZINC000834057320 605952006 /nfs/dbraw/zinc/95/20/06/605952006.db2.gz CEAYDBLJOBDUHQ-LURJTMIESA-N -1 0 317.327 -0.794 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)CN(C(=O)[O-])C1CC1 ZINC000833862985 605961115 /nfs/dbraw/zinc/96/11/15/605961115.db2.gz DDOKTRKLVMCGFN-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)CN(C(=O)[O-])C1CC1 ZINC000833882794 605961143 /nfs/dbraw/zinc/96/11/43/605961143.db2.gz BABKKTNLBVJYRP-UHFFFAOYSA-N -1 0 301.343 -0.308 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC(n3ccnn3)CC2)C1 ZINC000834116504 605963157 /nfs/dbraw/zinc/96/31/57/605963157.db2.gz LNCOMKMSDNPVNE-LLVKDONJSA-N -1 0 309.326 -0.180 20 0 DBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NCCCN1CCNC(=O)C1 ZINC000833837810 605965927 /nfs/dbraw/zinc/96/59/27/605965927.db2.gz ACVBJBWDXSDOAG-CQSZACIVSA-N -1 0 314.386 -0.392 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NCCCN2CCNC(=O)C2)C1 ZINC000834289292 605967254 /nfs/dbraw/zinc/96/72/54/605967254.db2.gz LHZZYOUSWJYRQT-CYBMUJFWSA-N -1 0 316.333 -0.984 20 0 DBADRM O=C([O-])NC1(CC(=O)NCCCN2CCNC(=O)C2)CCC1 ZINC000834156333 605967273 /nfs/dbraw/zinc/96/72/73/605967273.db2.gz YWDOBLVLWQDTMG-UHFFFAOYSA-N -1 0 312.370 -0.495 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)N[C@@H](CO)C2CCOCC2)C1 ZINC000834086493 605981577 /nfs/dbraw/zinc/98/15/77/605981577.db2.gz UXBZMVCDBQHTMZ-GXFFZTMASA-N -1 0 304.318 -0.018 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCCN1C(=O)[O-] ZINC000833915818 605983796 /nfs/dbraw/zinc/98/37/96/605983796.db2.gz ROAJSWSDMBIUIA-UHFFFAOYSA-N -1 0 319.325 -0.007 20 0 DBADRM O=C([O-])N(CC(=O)N1CCN(CCn2cncn2)CC1)C1CC1 ZINC000833997228 605985015 /nfs/dbraw/zinc/98/50/15/605985015.db2.gz CILNVLXLRNYJAV-UHFFFAOYSA-N -1 0 322.369 -0.435 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCn3c(nnc3C3CC3)C2)C1 ZINC000834160224 605995328 /nfs/dbraw/zinc/99/53/28/605995328.db2.gz SWKYBOJCHWSZHT-SNVBAGLBSA-N -1 0 320.353 -0.203 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCN(c3cccnn3)CC2)C1 ZINC000834159933 605995396 /nfs/dbraw/zinc/99/53/96/605995396.db2.gz QXWFFQANSUVZHN-LLVKDONJSA-N -1 0 320.353 -0.575 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCC[C@H]2Cn2cncn2)C1 ZINC000834157172 605995859 /nfs/dbraw/zinc/99/58/59/605995859.db2.gz HOECAJMZHAVZDB-MNOVXSKESA-N -1 0 308.342 -0.432 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccc(Cl)cn1 ZINC000833981849 605999243 /nfs/dbraw/zinc/99/92/43/605999243.db2.gz HUCWJCVBCCUYHQ-QMMMGPOBSA-N -1 0 300.702 -0.137 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)NCc2nnnn2C2CC2)cn1 ZINC000834276633 606005003 /nfs/dbraw/zinc/00/50/03/606005003.db2.gz BDJFDJPFJJDPOD-UHFFFAOYSA-N -1 0 304.270 -0.182 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)NC[C@H]2CN3CCN2CC3)cn1 ZINC000834280717 606006106 /nfs/dbraw/zinc/00/61/06/606006106.db2.gz UHKGTDFXDYJVHI-VIFPVBQESA-N -1 0 306.326 -0.704 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)NC[C@@H]2CN3CCN2CC3)cn1 ZINC000834280715 606006160 /nfs/dbraw/zinc/00/61/60/606006160.db2.gz UHKGTDFXDYJVHI-SECBINFHSA-N -1 0 306.326 -0.704 20 0 DBADRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCCn1ncnn1 ZINC000832146989 606009109 /nfs/dbraw/zinc/00/91/09/606009109.db2.gz ACBREQTXDJHUDL-LLVKDONJSA-N -1 0 304.310 -0.332 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CN2CC(=O)N(C)C2=O)CCO1 ZINC000833819611 606009479 /nfs/dbraw/zinc/00/94/79/606009479.db2.gz OHGVGVALFMOAMV-DTWKUNHWSA-N -1 0 300.315 -0.805 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1nncn1-c1ccccc1 ZINC000834199452 606011838 /nfs/dbraw/zinc/01/18/38/606011838.db2.gz WVHKNHZCZWEVAW-UHFFFAOYSA-N -1 0 318.293 -0.410 20 0 DBADRM C[C@@H]1[C@@H](C)N(C(=O)[O-])CCN1Cn1nc2cnccn2c1=O ZINC000833827116 606012381 /nfs/dbraw/zinc/01/23/81/606012381.db2.gz KCNAIEQJRHIAQE-NXEZZACHSA-N -1 0 306.326 -0.079 20 0 DBADRM CCN(CCCNC(=O)NCC(=O)N1CCOCC1)C(=O)[O-] ZINC000833858586 606015327 /nfs/dbraw/zinc/01/53/27/606015327.db2.gz KBUGBSGVRFLEHY-UHFFFAOYSA-N -1 0 316.358 -0.466 20 0 DBADRM O=C([O-])N[C@@H]1CCCN(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000834179914 606017220 /nfs/dbraw/zinc/01/72/20/606017220.db2.gz BZECZTATYJHMSG-SNVBAGLBSA-N -1 0 314.342 -0.713 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NCC(=O)N1CCOCC1 ZINC000833479977 606022496 /nfs/dbraw/zinc/02/24/96/606022496.db2.gz OZVPHXLOJJOFLY-JTQLQIEISA-N -1 0 301.343 -0.356 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000834082772 606023814 /nfs/dbraw/zinc/02/38/14/606023814.db2.gz GBVGAMWVTBRXCM-LBPRGKRZSA-N -1 0 303.290 -0.947 20 0 DBADRM O=C([O-])N1CCSC[C@H]1CC(=O)NC[C@]1(O)CCOC1 ZINC000833989617 606034833 /nfs/dbraw/zinc/03/48/33/606034833.db2.gz YMOAJTHJYIJIBD-BXKDBHETSA-N -1 0 304.368 -0.261 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000833980666 606036980 /nfs/dbraw/zinc/03/69/80/606036980.db2.gz PJDQSKSSWFMRBB-GHMZBOCLSA-N -1 0 313.354 -0.227 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](CC(F)F)NC(=O)[O-])C1 ZINC000833986250 606045695 /nfs/dbraw/zinc/04/56/95/606045695.db2.gz LVMMGDAVBRQCTH-RITPCOANSA-N -1 0 315.298 -0.833 20 0 DBADRM C[C@@H]1[C@H](C)N(CC2(O)CCS(=O)(=O)CC2)CCN1C(=O)[O-] ZINC000833830320 606045706 /nfs/dbraw/zinc/04/57/06/606045706.db2.gz VRLFIGQOZOALIH-WDEREUQCSA-N -1 0 320.411 -0.001 20 0 DBADRM COCC(C)(C)C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000833881790 606049557 /nfs/dbraw/zinc/04/95/57/606049557.db2.gz DAPDUJFACFKQPD-UHFFFAOYSA-N -1 0 315.370 -0.060 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H](CC(F)F)NC(=O)[O-] ZINC000833838720 606054958 /nfs/dbraw/zinc/05/49/58/606054958.db2.gz PUSCOYLEFYVEHC-RNFRBKRXSA-N -1 0 314.310 -0.077 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)cn1 ZINC000834280472 606058322 /nfs/dbraw/zinc/05/83/22/606058322.db2.gz SIPACRFSLNLCKP-SSDOTTSWSA-N -1 0 314.323 -0.127 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)c2cnc(NC(=O)[O-])cn2)cn1 ZINC000833946313 606059893 /nfs/dbraw/zinc/05/98/93/606059893.db2.gz LRLOIUKMMNENFS-SECBINFHSA-N -1 0 306.282 -0.237 20 0 DBADRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCCC(=O)NC(N)=O ZINC000833824560 606065146 /nfs/dbraw/zinc/06/51/46/606065146.db2.gz FOHICVISGWZKIG-SDBXPKJASA-N -1 0 314.342 -0.096 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@H](CC(F)F)NC(=O)[O-])O1 ZINC000833982467 606069672 /nfs/dbraw/zinc/06/96/72/606069672.db2.gz WDOBRVNGKLLZBF-ACZMJKKPSA-N -1 0 309.269 -0.573 20 0 DBADRM O=C([O-])N1CC[C@H](CNC(=O)NCCN2CCOCC2)C1 ZINC000834042779 606072988 /nfs/dbraw/zinc/07/29/88/606072988.db2.gz ZXMFMSQECPHOTP-LLVKDONJSA-N -1 0 300.359 -0.382 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000834133334 606075198 /nfs/dbraw/zinc/07/51/98/606075198.db2.gz OWMHCJDRRJRCEZ-BQBZGAKWSA-N -1 0 314.310 -0.029 20 0 DBADRM NC(=O)CNC(=S)Nc1cnc2c(c1)C[C@H](NC(=O)[O-])CC2 ZINC000833985734 606075497 /nfs/dbraw/zinc/07/54/97/606075497.db2.gz VAVPGIZVVOXACD-MRVPVSSYSA-N -1 0 323.378 -0.022 20 0 DBADRM O=C([O-])NC1(CNC(=S)NCCN2CCOCC2)CCC1 ZINC000834154013 606076837 /nfs/dbraw/zinc/07/68/37/606076837.db2.gz IGTUVYZPHBBQCX-UHFFFAOYSA-N -1 0 316.427 -0.027 20 0 DBADRM O=C([O-])N1CC(OCCC(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000834072456 606092660 /nfs/dbraw/zinc/09/26/60/606092660.db2.gz HIGGRLMGFNURMF-UHFFFAOYSA-N -1 0 311.338 -0.412 20 0 DBADRM NS(=O)(=O)CCNC(=O)Cc1ccccc1NC(=O)[O-] ZINC000833986097 606097098 /nfs/dbraw/zinc/09/70/98/606097098.db2.gz HKDCSSIJDBXVSZ-UHFFFAOYSA-N -1 0 301.324 -0.276 20 0 DBADRM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)CCOC1CN(C(=O)[O-])C1 ZINC000833979909 606098614 /nfs/dbraw/zinc/09/86/14/606098614.db2.gz FGQTYPLNKAHPQD-GHMZBOCLSA-N -1 0 313.354 -0.084 20 0 DBADRM CNC(=O)CCCN(C)C(=O)CCOC1CN(C(=O)[O-])C1 ZINC000833875349 606099802 /nfs/dbraw/zinc/09/98/02/606099802.db2.gz OVHJQYZXRMANGX-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC[C@@H]2CCCC2=O)c1=O ZINC000821565032 606328067 /nfs/dbraw/zinc/32/80/67/606328067.db2.gz ALECAQOULQCLAK-VIFPVBQESA-N -1 0 318.337 -0.031 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821164510 606466842 /nfs/dbraw/zinc/46/68/42/606466842.db2.gz FNMQYTVRHCZRME-UHFFFAOYSA-N -1 0 316.368 -0.146 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)cn1 ZINC000821566614 606710857 /nfs/dbraw/zinc/71/08/57/606710857.db2.gz LXXOKAKBFJXXBO-UHFFFAOYSA-N -1 0 323.342 -0.383 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@H]2CCCS2)n(C)c1=O ZINC000822600407 606799715 /nfs/dbraw/zinc/79/97/15/606799715.db2.gz NKGDTKOMYDMXSV-ZETCQYMHSA-N -1 0 323.382 -0.428 20 0 DBADRM C[C@H](CNS(=O)(=O)c1ccccc1-c1nn[nH]n1)C(=O)[O-] ZINC000820274631 606833658 /nfs/dbraw/zinc/83/36/58/606833658.db2.gz JXSZOAFFOIHIGT-SSDOTTSWSA-N -1 0 311.323 -0.134 20 0 DBADRM C[C@H](CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)[O-] ZINC000820274845 606834140 /nfs/dbraw/zinc/83/41/40/606834140.db2.gz KEOAMNHSGKPDTA-SSDOTTSWSA-N -1 0 311.323 -0.134 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC3(CCC3)C2)n(C)c1=O ZINC000822600113 606948099 /nfs/dbraw/zinc/94/80/99/606948099.db2.gz KKHZNACIPPKTPN-UHFFFAOYSA-N -1 0 317.353 -0.356 20 0 DBADRM C[C@@H](Cc1ccco1)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820301431 607206992 /nfs/dbraw/zinc/20/69/92/607206992.db2.gz YKSYRPZRMQGIIN-QMMMGPOBSA-N -1 0 302.298 -0.201 20 0 DBADRM CCc1nnc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)s1 ZINC000821529603 607209554 /nfs/dbraw/zinc/20/95/54/607209554.db2.gz XRABGNYEYZHXFM-UHFFFAOYSA-N -1 0 306.315 -0.489 20 0 DBADRM CCCc1nnc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)s1 ZINC000821143408 607209566 /nfs/dbraw/zinc/20/95/66/607209566.db2.gz UWUNMJCOXVWEEI-UHFFFAOYSA-N -1 0 320.342 -0.099 20 0 DBADRM Cn1nc2c(c1NC(=O)Cn1cnc(-c3nnn[n-]3)n1)CCC2 ZINC000822704174 607210755 /nfs/dbraw/zinc/21/07/55/607210755.db2.gz IWUWCSRZBCUBJT-UHFFFAOYSA-N -1 0 314.313 -0.681 20 0 DBADRM CCCCN(CCOC)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821064833 607216135 /nfs/dbraw/zinc/21/61/35/607216135.db2.gz AETMNSMGVHNYSY-UHFFFAOYSA-N -1 0 308.346 -0.267 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc2nccn2c1 ZINC000823136084 607217278 /nfs/dbraw/zinc/21/72/78/607217278.db2.gz JIWZGWIARARZQL-UHFFFAOYSA-N -1 0 310.281 -0.255 20 0 DBADRM CO[C@@H](C)CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)C(C)C ZINC000821673417 607219022 /nfs/dbraw/zinc/21/90/22/607219022.db2.gz APCROTHTFWJWOS-VIFPVBQESA-N -1 0 308.346 -0.270 20 0 DBADRM CCCN(CC(C)(C)O)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821095129 607221436 /nfs/dbraw/zinc/22/14/36/607221436.db2.gz YFMOEODFBLZZHH-UHFFFAOYSA-N -1 0 308.346 -0.532 20 0 DBADRM CC(C)[C@H]1OCC[C@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820044603 607221201 /nfs/dbraw/zinc/22/12/01/607221201.db2.gz HRTJWTWWTMGQTH-GXSJLCMTSA-N -1 0 320.357 -0.365 20 0 DBADRM Cn1cnc2cc(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)ccc21 ZINC000822698996 607221210 /nfs/dbraw/zinc/22/12/10/607221210.db2.gz KRDMHOLMTJBPQT-UHFFFAOYSA-N -1 0 324.308 -0.016 20 0 DBADRM CC(C)[C@@H]1OCC[C@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820044611 607221225 /nfs/dbraw/zinc/22/12/25/607221225.db2.gz HRTJWTWWTMGQTH-ONGXEEELSA-N -1 0 320.357 -0.365 20 0 DBADRM CN(C)c1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)ccn1 ZINC000821588241 607221487 /nfs/dbraw/zinc/22/14/87/607221487.db2.gz INJUQRHMHVWERE-UHFFFAOYSA-N -1 0 314.313 -0.442 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC1(CCO)CCCC1 ZINC000823126071 607224224 /nfs/dbraw/zinc/22/42/24/607224224.db2.gz GYHCBLJCZGJXFH-UHFFFAOYSA-N -1 0 320.357 -0.483 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCOC2(CCCC2)C1 ZINC000823125998 607224491 /nfs/dbraw/zinc/22/44/91/607224491.db2.gz DYLVBSOLZQDPLX-UHFFFAOYSA-N -1 0 318.341 -0.370 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCc1ccc(O)cc1 ZINC000823131797 607228424 /nfs/dbraw/zinc/22/84/24/607228424.db2.gz PEDREOUGYSWWDA-UHFFFAOYSA-N -1 0 314.309 -0.477 20 0 DBADRM C[C@@H](CO)CCCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000824437144 607967196 /nfs/dbraw/zinc/96/71/96/607967196.db2.gz ZBFAVYBVIPSDAQ-MRVPVSSYSA-N -1 0 323.357 -0.915 20 0 DBADRM CCC[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC000825252522 608009877 /nfs/dbraw/zinc/00/98/77/608009877.db2.gz IPXVLYFFTUIZOZ-SECBINFHSA-N -1 0 306.330 -0.514 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1)C(=O)[O-] ZINC000824640988 608010594 /nfs/dbraw/zinc/01/05/94/608010594.db2.gz QOOWYOIBSVPWNM-RXMQYKEDSA-N -1 0 315.286 -0.243 20 0 DBADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824051709 608010985 /nfs/dbraw/zinc/01/09/85/608010985.db2.gz CLSWKYPRIIQHDM-SSDOTTSWSA-N -1 0 311.323 -0.040 20 0 DBADRM Cc1cccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])c1-c1nn[nH]n1 ZINC000826301694 608011581 /nfs/dbraw/zinc/01/15/81/608011581.db2.gz MMLURJKYJCDMIO-ZETCQYMHSA-N -1 0 311.323 -0.073 20 0 DBADRM Cc1ocnc1CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000826342973 608077531 /nfs/dbraw/zinc/07/75/31/608077531.db2.gz HTGPJZUJWLPYNG-UHFFFAOYSA-N -1 0 318.297 -0.827 20 0 DBADRM CCOC(=O)CCCCn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC000825506409 608095598 /nfs/dbraw/zinc/09/55/98/608095598.db2.gz JQPCRTDVIUWNQP-UHFFFAOYSA-N -1 0 322.325 -0.540 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2noc(C3CC3)n2)c1=O ZINC000826357260 608096303 /nfs/dbraw/zinc/09/63/03/608096303.db2.gz XWEIQEUNUYUKIA-UHFFFAOYSA-N -1 0 316.281 -0.964 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CC(F)(F)C(F)F)c1=O ZINC000826356345 608096602 /nfs/dbraw/zinc/09/66/02/608096602.db2.gz MFUGTDAYKMTBSD-UHFFFAOYSA-N -1 0 308.195 -0.373 20 0 DBADRM C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)[N-]OCC(N)=O ZINC000824747221 608279661 /nfs/dbraw/zinc/27/96/61/608279661.db2.gz ZGPBWQVVPKJMKE-SSDOTTSWSA-N -1 0 306.282 -0.833 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC2(O)CCCC2)c1=O ZINC000825797215 608490267 /nfs/dbraw/zinc/49/02/67/608490267.db2.gz YTSQUKXDQSIPIT-UHFFFAOYSA-N -1 0 306.326 -0.485 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2sccc2-c2nn[nH]n2)C1=O ZINC000826018277 608863497 /nfs/dbraw/zinc/86/34/97/608863497.db2.gz UMRCAIAWMIPGDF-UHFFFAOYSA-N -1 0 307.295 -0.533 20 0 DBADRM COc1n[nH]c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826221607 608872081 /nfs/dbraw/zinc/87/20/81/608872081.db2.gz MNHGVPYNGZNRDD-UHFFFAOYSA-N -1 0 322.310 -0.206 20 0 DBADRM CN(CC(=O)[O-])C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 ZINC000825897930 609149479 /nfs/dbraw/zinc/14/94/79/609149479.db2.gz RKDBXPOCDTYHDR-UHFFFAOYSA-N -1 0 320.313 -0.600 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H](CO)C(C)(C)C)n(C)c1=O ZINC000737595575 609313966 /nfs/dbraw/zinc/31/39/66/609313966.db2.gz IEVRRNGJYCQZEE-SSDOTTSWSA-N -1 0 323.357 -0.917 20 0 DBADRM CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc([O-])n(C)c1=O ZINC000976935953 665407576 /nfs/dbraw/zinc/40/75/76/665407576.db2.gz WTEKECRRFHVZAN-JZYVYDRUSA-N -1 0 306.322 -0.918 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnon2)c1[O-] ZINC000977029827 665422233 /nfs/dbraw/zinc/42/22/33/665422233.db2.gz BTYARKPSRRVKKJ-QMSLJYSESA-N -1 0 318.293 -0.693 20 0 DBADRM CC(=O)N(C)C[C@@H]1CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000977231662 665451137 /nfs/dbraw/zinc/45/11/37/665451137.db2.gz DNPRIDVEUBXCFG-JTQLQIEISA-N -1 0 318.337 -0.850 20 0 DBADRM CC(=O)N(C)C[C@H]1CCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC000977246654 665454277 /nfs/dbraw/zinc/45/42/77/665454277.db2.gz LHDOPQFQDZNVQS-SECBINFHSA-N -1 0 309.326 -0.705 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(C(=O)C2CCCC2)CC1 ZINC001009736459 665461880 /nfs/dbraw/zinc/46/18/80/665461880.db2.gz OMDJZBMSGBATHO-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cc1nc[nH]n1 ZINC000977470707 665475389 /nfs/dbraw/zinc/47/53/89/665475389.db2.gz GMLWHGHUJAICPJ-QMMMGPOBSA-N -1 0 320.357 -0.802 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cn1ccnc1 ZINC000977665275 665492408 /nfs/dbraw/zinc/49/24/08/665492408.db2.gz HDUZHQLUSMGSID-JTQLQIEISA-N -1 0 319.369 -0.266 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ccn[nH]1 ZINC000977844485 665502534 /nfs/dbraw/zinc/50/25/34/665502534.db2.gz GSPUAVFPYZMJDC-PSVAKVPMSA-N -1 0 303.326 -0.659 20 0 DBADRM Cn1cccc1C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000977871314 665504608 /nfs/dbraw/zinc/50/46/08/665504608.db2.gz ZGSFCEARLVMAJY-RTCCRHLQSA-N -1 0 316.365 -0.043 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2cn[nH]n2)c1[O-] ZINC000977970290 665510159 /nfs/dbraw/zinc/51/01/59/665510159.db2.gz LTPMXDVQRCJGDB-MRVPVSSYSA-N -1 0 319.325 -0.471 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001027580414 665513077 /nfs/dbraw/zinc/51/30/77/665513077.db2.gz WUBHYLSMQSDSLN-AEJSXWLSSA-N -1 0 322.369 -0.946 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)C1CC1)C(=O)c1cnc([O-])n(C)c1=O ZINC000978121140 665520253 /nfs/dbraw/zinc/52/02/53/665520253.db2.gz FZZMIPZJNLTGKO-JTQLQIEISA-N -1 0 320.349 -0.431 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@H]1CC1(F)F ZINC000978143962 665522106 /nfs/dbraw/zinc/52/21/06/665522106.db2.gz RGJLSDAPTRLHSA-LURQLKTLSA-N -1 0 313.308 -0.041 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](CNC(=O)C2CCC2)C1 ZINC000978499731 665541024 /nfs/dbraw/zinc/54/10/24/665541024.db2.gz VUVFNLBGZUNTMA-WAAGHKOSSA-N -1 0 323.353 -0.500 20 0 DBADRM Cc1cnoc1C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000978923620 665584534 /nfs/dbraw/zinc/58/45/34/665584534.db2.gz VHBBHSCETWTEAB-OWUUHHOZSA-N -1 0 318.337 -0.085 20 0 DBADRM Cn1ccc(C(=O)NC[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)n1 ZINC000979048035 665597386 /nfs/dbraw/zinc/59/73/86/665597386.db2.gz FMEDVUOYQCXKME-OWUUHHOZSA-N -1 0 317.353 -0.648 20 0 DBADRM O=C(NC[C@H]1C[C@@H](NC(=O)C2CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000979061106 665597702 /nfs/dbraw/zinc/59/77/02/665597702.db2.gz FAADDSWQJWBMGA-OTSSQURYSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000979060752 665597956 /nfs/dbraw/zinc/59/79/56/665597956.db2.gz CPYRZXHUXCXJMU-LURQLKTLSA-N -1 0 321.337 -0.437 20 0 DBADRM CC(C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000979066598 665599815 /nfs/dbraw/zinc/59/98/15/665599815.db2.gz SHGPHOGNONFUTK-OCAPTIKFSA-N -1 0 309.326 -0.437 20 0 DBADRM Cc1nc[nH]c1C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000979121129 665607960 /nfs/dbraw/zinc/60/79/60/665607960.db2.gz AZIPBSACOBGCFP-OWUUHHOZSA-N -1 0 317.353 -0.350 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1cc[n+]([O-])cc1 ZINC001027742334 665617083 /nfs/dbraw/zinc/61/70/83/665617083.db2.gz SLUSNSHBUGZUME-NSHDSACASA-N -1 0 318.337 -0.462 20 0 DBADRM C[C@H]([NH2+]Cc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC000979208153 665618906 /nfs/dbraw/zinc/61/89/06/665618906.db2.gz JHLGFQQSJKGXTK-WPRPVWTQSA-N -1 0 321.341 -0.747 20 0 DBADRM C[C@@H]([NH2+]Cc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC000979208145 665619670 /nfs/dbraw/zinc/61/96/70/665619670.db2.gz JHLGFQQSJKGXTK-PSASIEDQSA-N -1 0 321.341 -0.747 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1COCCO1 ZINC001027766665 665630098 /nfs/dbraw/zinc/63/00/98/665630098.db2.gz UQVNGIUOWBMVAP-NXEZZACHSA-N -1 0 311.342 -0.994 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1cnsn1 ZINC001027771901 665632341 /nfs/dbraw/zinc/63/23/41/665632341.db2.gz UIDVOQKGQRNAMG-SSDOTTSWSA-N -1 0 309.355 -0.244 20 0 DBADRM O=C(N[C@H]1C[C@H](CNC(=O)C2CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000979391557 665645322 /nfs/dbraw/zinc/64/53/22/665645322.db2.gz BXWKZGWFXAHVLW-XWEPSHTISA-N -1 0 321.337 -0.293 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](NC(=O)c3cn[nH]n3)C2)c1[O-] ZINC000979637269 665675830 /nfs/dbraw/zinc/67/58/30/665675830.db2.gz ABGMTHATHNXLDZ-ZKCHVHJHSA-N -1 0 319.325 -0.520 20 0 DBADRM CC[C@@H](C(N)=O)N1CCC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001027832236 665684081 /nfs/dbraw/zinc/68/40/81/665684081.db2.gz BJOHJIIATZFHAQ-UWVGGRQHSA-N -1 0 309.370 -0.118 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2[C@H]2CCN(C)C2=O)c1[O-] ZINC001027833437 665684907 /nfs/dbraw/zinc/68/49/07/665684907.db2.gz QEKSEIOOHGTLHP-MNOVXSKESA-N -1 0 321.381 -0.151 20 0 DBADRM CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000979883640 665695136 /nfs/dbraw/zinc/69/51/36/665695136.db2.gz GNTGDZPIZSKMRO-IVZWLZJFSA-N -1 0 309.326 -0.938 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](CNC(=O)c3cn[nH]n3)C2)c1[O-] ZINC000980028095 665709946 /nfs/dbraw/zinc/70/99/46/665709946.db2.gz RIUFUQJXTCQMEV-ZKCHVHJHSA-N -1 0 319.325 -0.520 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000980200216 665736005 /nfs/dbraw/zinc/73/60/05/665736005.db2.gz MZRRZEAJBXRMAT-QXEWZRGKSA-N -1 0 320.353 -0.950 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001027918420 665749885 /nfs/dbraw/zinc/74/98/85/665749885.db2.gz PBIMPDHRHOHSEH-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1nccn1CC(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000980408436 665761045 /nfs/dbraw/zinc/76/10/45/665761045.db2.gz JWROPVZXKAUYBG-NSHDSACASA-N -1 0 319.369 -0.252 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000936658013 665773202 /nfs/dbraw/zinc/77/32/02/665773202.db2.gz FSOZGYWAERMOMT-MRVPVSSYSA-N -1 0 309.326 -0.388 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1cnc[nH]c1=O ZINC001027958940 665783662 /nfs/dbraw/zinc/78/36/62/665783662.db2.gz VSZSXPQLEWAELF-MRVPVSSYSA-N -1 0 319.325 -0.600 20 0 DBADRM O=C(c1ccc(=O)[nH]n1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980658991 665784336 /nfs/dbraw/zinc/78/43/36/665784336.db2.gz QPPPKGPPAQXWPQ-UHFFFAOYSA-N -1 0 319.325 -0.646 20 0 DBADRM C[C@H]1C[C@@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)Cc1nnc[nH]1 ZINC000980760044 665796428 /nfs/dbraw/zinc/79/64/28/665796428.db2.gz PHNPHLKLHCNDNS-IUCAKERBSA-N -1 0 320.357 -0.802 20 0 DBADRM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980819124 665801953 /nfs/dbraw/zinc/80/19/53/665801953.db2.gz PBEOYPOWCOPKRN-UWVGGRQHSA-N -1 0 323.353 -0.646 20 0 DBADRM COC(=O)[C@H]1C[C@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980819126 665801546 /nfs/dbraw/zinc/80/15/46/665801546.db2.gz PBEOYPOWCOPKRN-ZJUUUORDSA-N -1 0 323.353 -0.646 20 0 DBADRM CC(C)C(=O)N1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000950060973 665811386 /nfs/dbraw/zinc/81/13/86/665811386.db2.gz GZZLEHNTRXJEQM-QMMMGPOBSA-N -1 0 309.326 -0.340 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980973281 665814882 /nfs/dbraw/zinc/81/48/82/665814882.db2.gz GYSMWZRXDLVAAR-SNVBAGLBSA-N -1 0 323.353 -0.502 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980973276 665814906 /nfs/dbraw/zinc/81/49/06/665814906.db2.gz GYSMWZRXDLVAAR-JTQLQIEISA-N -1 0 323.353 -0.502 20 0 DBADRM CCn1ncc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000981107975 665823149 /nfs/dbraw/zinc/82/31/49/665823149.db2.gz DVRDREZBLQLEES-UHFFFAOYSA-N -1 0 320.357 -0.530 20 0 DBADRM O=C(CCc1c[nH]cn1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981298962 665841691 /nfs/dbraw/zinc/84/16/91/665841691.db2.gz VSRWKBZNYGDNEF-UHFFFAOYSA-N -1 0 319.369 -0.100 20 0 DBADRM Cc1cnn(C)c1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001028083653 665843428 /nfs/dbraw/zinc/84/34/28/665843428.db2.gz VMBMSHMGPGTJHO-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1ncn(C)c1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981387323 665846871 /nfs/dbraw/zinc/84/68/71/665846871.db2.gz KUINPELDKURPJO-UHFFFAOYSA-N -1 0 319.369 -0.100 20 0 DBADRM O=C([C@H]1CCCC(=O)N1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981408510 665849615 /nfs/dbraw/zinc/84/96/15/665849615.db2.gz NCLXABLILRJHFC-SNVBAGLBSA-N -1 0 322.369 -0.787 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)CO1 ZINC000981491737 665853387 /nfs/dbraw/zinc/85/33/87/665853387.db2.gz UIRAHDQIQWWLFK-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1nnccc1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981555649 665856964 /nfs/dbraw/zinc/85/69/64/665856964.db2.gz YTTTZRXKRSKGOH-UHFFFAOYSA-N -1 0 317.353 -0.043 20 0 DBADRM O=C(c1cc[nH]n1)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC000981637204 665862246 /nfs/dbraw/zinc/86/22/46/665862246.db2.gz QMNAMGQKFWVQGN-UHFFFAOYSA-N -1 0 317.353 -0.028 20 0 DBADRM Cc1ocnc1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001010347095 665869859 /nfs/dbraw/zinc/86/98/59/665869859.db2.gz FNEOVMRUTJRHGP-VIFPVBQESA-N -1 0 306.326 -0.591 20 0 DBADRM O=C(CCn1ccnc1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981716960 665869965 /nfs/dbraw/zinc/86/99/65/665869965.db2.gz VGVJZJFFDGKHFK-UHFFFAOYSA-N -1 0 319.369 -0.169 20 0 DBADRM C[C@]1(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)CCNC1=O ZINC000981945243 665892124 /nfs/dbraw/zinc/89/21/24/665892124.db2.gz JFLOYHSEYSIVEE-AWEZNQCLSA-N -1 0 322.369 -0.929 20 0 DBADRM O=C(C[C@H]1CCC(=O)N1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000982189993 665921469 /nfs/dbraw/zinc/92/14/69/665921469.db2.gz GGVBVSUNWYIQMJ-SNVBAGLBSA-N -1 0 322.369 -0.787 20 0 DBADRM CCc1nnsc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949157315 665932691 /nfs/dbraw/zinc/93/26/91/665932691.db2.gz NXIUOCSARGRYNH-UHFFFAOYSA-N -1 0 323.382 -0.118 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1c(C)[nH]c(=O)nc1SC ZINC000049606590 663805725 /nfs/dbraw/zinc/80/57/25/663805725.db2.gz SDRLXPKTVPBCRJ-UHFFFAOYSA-N -1 0 315.351 -0.027 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](NCc2cscn2)C1 ZINC000969210474 663805846 /nfs/dbraw/zinc/80/58/46/663805846.db2.gz XLKPIODWPLHZKG-SSDOTTSWSA-N -1 0 322.350 -0.256 20 0 DBADRM CCC(=O)NC1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC000947372994 663810555 /nfs/dbraw/zinc/81/05/55/663810555.db2.gz ITRJYVRUCCGRQN-UHFFFAOYSA-N -1 0 323.353 -0.267 20 0 DBADRM Cc1ncc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC000969401832 663825261 /nfs/dbraw/zinc/82/52/61/663825261.db2.gz KPOXSNNXUKHKQL-ZETCQYMHSA-N -1 0 305.342 -0.208 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3C)[C@@H](O)C2)c1[O-] ZINC000969547254 663842381 /nfs/dbraw/zinc/84/23/81/663842381.db2.gz LWFMCBAMHMUNAQ-QQRDMOCMSA-N -1 0 308.338 -0.619 20 0 DBADRM NC(=O)c1coc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001020574668 663858999 /nfs/dbraw/zinc/85/89/99/663858999.db2.gz VAKWAEYEZVDOSY-ZKCHVHJHSA-N -1 0 320.309 -0.747 20 0 DBADRM C[C@H](NC(=O)c1cn[nH]c(=O)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969908681 663880308 /nfs/dbraw/zinc/88/03/08/663880308.db2.gz VELSNIUMJPFEEM-ZETCQYMHSA-N -1 0 319.325 -0.744 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969906161 663880357 /nfs/dbraw/zinc/88/03/57/663880357.db2.gz BZWPWBKDHZVLBA-LURJTMIESA-N -1 0 321.341 -0.502 20 0 DBADRM CCC(=O)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC001020635688 663880846 /nfs/dbraw/zinc/88/08/46/663880846.db2.gz CAHMONOPHFXTJQ-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM CC(=O)N1CC[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)[C@@H](C)C1 ZINC001020645672 663883005 /nfs/dbraw/zinc/88/30/05/663883005.db2.gz PVPBLBJNSBIZQW-ONGXEEELSA-N -1 0 322.365 -0.280 20 0 DBADRM CC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001020781907 663905255 /nfs/dbraw/zinc/90/52/55/663905255.db2.gz VKDCZXYLBMCEQD-IONNQARKSA-N -1 0 309.326 -0.483 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)[C@H]3CCOC3)CC2)c1[O-] ZINC001010598730 663913115 /nfs/dbraw/zinc/91/31/15/663913115.db2.gz IKHUHLNHLICSFU-JTQLQIEISA-N -1 0 308.338 -0.255 20 0 DBADRM Cc1nc(CN[C@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)co1 ZINC001020984370 663930826 /nfs/dbraw/zinc/93/08/26/663930826.db2.gz KEZBPSHOUSKYIG-KYZUINATSA-N -1 0 322.325 -0.577 20 0 DBADRM CC(C)C(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001021102219 663948585 /nfs/dbraw/zinc/94/85/85/663948585.db2.gz TXAPDLKONJKVGD-VHSXEESVSA-N -1 0 323.353 -0.595 20 0 DBADRM Cc1nc(CN[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)co1 ZINC000970582364 664012117 /nfs/dbraw/zinc/01/21/17/664012117.db2.gz UGEOJPUAUQGORD-SECBINFHSA-N -1 0 322.325 -0.624 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C2CCC2)C1 ZINC000954934125 664031539 /nfs/dbraw/zinc/03/15/39/664031539.db2.gz SWKPPEWDMRTLKT-UHFFFAOYSA-N -1 0 309.326 -0.841 20 0 DBADRM O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1)c1cnon1 ZINC001021416670 664032258 /nfs/dbraw/zinc/03/22/58/664032258.db2.gz JMXCTGMBVKNIMX-CBLAIPOGSA-N -1 0 319.325 -0.181 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC000909917077 674584685 /nfs/dbraw/zinc/58/46/85/674584685.db2.gz WZZVIHIINYHWPP-UHFFFAOYSA-N -1 0 305.338 -0.281 20 0 DBADRM NC(=O)CC(=O)N1CCC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CC[C@H]21 ZINC001021547708 664060046 /nfs/dbraw/zinc/06/00/46/664060046.db2.gz JJWNKESXWUGGPW-NXEZZACHSA-N -1 0 322.369 -0.801 20 0 DBADRM CCOC(=O)N[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OCC ZINC000047417608 664065827 /nfs/dbraw/zinc/06/58/27/664065827.db2.gz BTEODQFCTJPSAP-UHFFFAOYSA-N -1 0 320.327 -0.166 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]3CN(CC(N)=O)CC[C@H]32)c1[O-] ZINC001021566479 664069768 /nfs/dbraw/zinc/06/97/68/664069768.db2.gz KAQSNVAJXISMBY-GHMZBOCLSA-N -1 0 321.381 -0.164 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[C@@H]2CN(C(C)=O)[C@@H]2C1 ZINC000970971492 664085286 /nfs/dbraw/zinc/08/52/86/664085286.db2.gz TZGHQTQHSMCIRW-RKDXNWHRSA-N -1 0 322.321 -0.411 20 0 DBADRM CC(=O)N1C[C@H]2CCN(C(=O)c3c[n-]n4c3nccc4=O)C[C@H]21 ZINC000970991242 664088579 /nfs/dbraw/zinc/08/85/79/664088579.db2.gz SKTGOFMPRTZYHX-ZYHUDNBSSA-N -1 0 315.333 -0.285 20 0 DBADRM CCCC(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000971095116 664107611 /nfs/dbraw/zinc/10/76/11/664107611.db2.gz IPVDGFRQFASLBJ-RKDXNWHRSA-N -1 0 321.337 -0.244 20 0 DBADRM Cc1ncncc1C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000971133645 664113703 /nfs/dbraw/zinc/11/37/03/664113703.db2.gz AEZMWMFWHXHPMH-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC000971194419 664122506 /nfs/dbraw/zinc/12/25/06/664122506.db2.gz KRVAVSVBLAMSAD-QWRGUYRKSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC000971198506 664123052 /nfs/dbraw/zinc/12/30/52/664123052.db2.gz VHGZVCDYVZBHOR-NSHDSACASA-N -1 0 319.369 -0.481 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC000971282767 664138439 /nfs/dbraw/zinc/13/84/39/664138439.db2.gz VQXKNRSBMSJEEC-VIFPVBQESA-N -1 0 318.337 -0.043 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC000971346876 664145624 /nfs/dbraw/zinc/14/56/24/664145624.db2.gz OPJOSKYNJVYMEI-UWVGGRQHSA-N -1 0 323.353 -0.504 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC000971374234 664150524 /nfs/dbraw/zinc/15/05/24/664150524.db2.gz XMYGSGIEPYVGSD-NXEZZACHSA-N -1 0 320.357 -0.604 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC000971385333 664153748 /nfs/dbraw/zinc/15/37/48/664153748.db2.gz JJNUWPLBRSEENW-QMMMGPOBSA-N -1 0 320.357 -0.828 20 0 DBADRM Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)cn1 ZINC001021841868 664154288 /nfs/dbraw/zinc/15/42/88/664154288.db2.gz PKAFYIBJMKYEBP-TXEJJXNPSA-N -1 0 316.365 -0.138 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2cncnc2)C1 ZINC000971395964 664155488 /nfs/dbraw/zinc/15/54/88/664155488.db2.gz ZBYGLWSCDFRLJN-SNVBAGLBSA-N -1 0 303.326 -0.353 20 0 DBADRM Cc1nc(C(=O)N2CC[C@@H](N(C)Cc3nc(=O)n(C)[nH]3)C2)co1 ZINC000971400108 664157784 /nfs/dbraw/zinc/15/77/84/664157784.db2.gz KDHQEQILGZUOJZ-SNVBAGLBSA-N -1 0 320.353 -0.249 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(F)nc3)C2)nc1=O ZINC001021896963 664163950 /nfs/dbraw/zinc/16/39/50/664163950.db2.gz AQWDXZMDFFSENJ-AOOOYVTPSA-N -1 0 320.328 -0.307 20 0 DBADRM COc1ccc(F)cc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000650387122 664175272 /nfs/dbraw/zinc/17/52/72/664175272.db2.gz ZAJQZEOZXKSTHC-QUBYGPBYSA-N -1 0 307.299 -0.053 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2C)CC1 ZINC000650418485 664183933 /nfs/dbraw/zinc/18/39/33/664183933.db2.gz RVRSLKFPCYVBOD-SNVBAGLBSA-N -1 0 317.367 -0.047 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H](Cc2ncccn2)C(=O)[O-])CC1 ZINC000650428758 664188279 /nfs/dbraw/zinc/18/82/79/664188279.db2.gz SLCIAESNILIHNV-VIFPVBQESA-N -1 0 315.351 -0.429 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000650428751 664188517 /nfs/dbraw/zinc/18/85/17/664188517.db2.gz SKHPQJKWLJBLBU-NXEZZACHSA-N -1 0 314.367 -0.209 20 0 DBADRM CCOCCS(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000650428888 664188523 /nfs/dbraw/zinc/18/85/23/664188523.db2.gz VQMVTOVNWCHQCX-SECBINFHSA-N -1 0 303.340 -0.572 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)cn1C ZINC000402512340 664190575 /nfs/dbraw/zinc/19/05/75/664190575.db2.gz HBNCBOBWTNOQNO-JTQLQIEISA-N -1 0 313.339 -0.434 20 0 DBADRM CCn1ncc(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000971492586 664195172 /nfs/dbraw/zinc/19/51/72/664195172.db2.gz HIDDHKSBMIFPDT-SECBINFHSA-N -1 0 320.357 -0.532 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(C(=O)Cn2nnc3c2CCCC3)CCO1 ZINC000910331042 674602111 /nfs/dbraw/zinc/60/21/11/674602111.db2.gz TYTMYDCSZZYBMH-AWEZNQCLSA-N -1 0 308.338 -0.141 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)N1CCO[C@](C)(C(=O)[O-])C1 ZINC000910329340 674602114 /nfs/dbraw/zinc/60/21/14/674602114.db2.gz YYQILYQQHLZEQV-AWEZNQCLSA-N -1 0 308.338 -0.063 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@H]1CCCN1c1ccccc1 ZINC000910333928 674602116 /nfs/dbraw/zinc/60/21/16/674602116.db2.gz ITMWJWJXTBRRIO-GFCCVEGCSA-N -1 0 305.334 -0.028 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000910252990 674599142 /nfs/dbraw/zinc/59/91/42/674599142.db2.gz XSWGJFRUOCAKLL-SNVBAGLBSA-N -1 0 321.399 -0.562 20 0 DBADRM CCN1CCO[C@H](C(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)[O-])C1 ZINC000910263021 674601195 /nfs/dbraw/zinc/60/11/95/674601195.db2.gz KEKSLWGXGVCWCZ-COPLHBTASA-N -1 0 300.355 -0.202 20 0 DBADRM O=C(N[C@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1)c1cnn2c1CCC2 ZINC001022173021 664231628 /nfs/dbraw/zinc/23/16/28/664231628.db2.gz OJMOCEGDRMSINM-DTORHVGOSA-N -1 0 317.353 -0.296 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001022244566 664244655 /nfs/dbraw/zinc/24/46/55/664244655.db2.gz BASMCSDVBKLPPQ-KNVOCYPGSA-N -1 0 307.314 -0.702 20 0 DBADRM CC(C)C(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001022317222 664259845 /nfs/dbraw/zinc/25/98/45/664259845.db2.gz RZVGNGHYARCJPL-VHSXEESVSA-N -1 0 323.353 -0.595 20 0 DBADRM COCCn1cc(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])nn1 ZINC000910436401 674605591 /nfs/dbraw/zinc/60/55/91/674605591.db2.gz PXTNRCGCSVCSGW-QMMMGPOBSA-N -1 0 304.253 -0.141 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000971841855 664273671 /nfs/dbraw/zinc/27/36/71/664273671.db2.gz UTKAKSJQRNEMFC-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CNS(=O)(=O)c1ccc(N2CC[C@@](F)(C(=O)[O-])C2)nc1 ZINC000910448357 674606415 /nfs/dbraw/zinc/60/64/15/674606415.db2.gz XDBLETBQMVIUIA-NSHDSACASA-N -1 0 303.315 -0.007 20 0 DBADRM CN(Cc1cnon1)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000971870832 664282406 /nfs/dbraw/zinc/28/24/06/664282406.db2.gz VDNPSLKKHVJRPU-QMMMGPOBSA-N -1 0 321.297 -0.988 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2cncn2C)C1 ZINC000971877108 664284083 /nfs/dbraw/zinc/28/40/83/664284083.db2.gz ZJBWTQWFCLLCNL-SECBINFHSA-N -1 0 305.342 -0.410 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2cncn2C)C1 ZINC000971877114 664284635 /nfs/dbraw/zinc/28/46/35/664284635.db2.gz ZJBWTQWFCLLCNL-VIFPVBQESA-N -1 0 305.342 -0.410 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cn1 ZINC000910434959 674607373 /nfs/dbraw/zinc/60/73/73/674607373.db2.gz HNPVEZUYZVDSHH-DTWKUNHWSA-N -1 0 303.265 -0.356 20 0 DBADRM Cc1cncn1CC(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000971949559 664302359 /nfs/dbraw/zinc/30/23/59/664302359.db2.gz KSDVLOLIKREPTN-NSHDSACASA-N -1 0 319.369 -0.252 20 0 DBADRM O=C(CN1CSCC1=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC000910460282 674608772 /nfs/dbraw/zinc/60/87/72/674608772.db2.gz ZGAIYCBFGQMBEX-JTQLQIEISA-N -1 0 316.379 -0.095 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N1CCO[C@@](C)(C(=O)[O-])C1)CC2 ZINC000910322428 674602450 /nfs/dbraw/zinc/60/24/50/674602450.db2.gz IKGWFGIIUBOPOQ-IINYFYTJSA-N -1 0 308.338 -0.149 20 0 DBADRM C[C@]1(C(=O)[O-])CN(c2ccnc(N3CCOCC3)n2)CCO1 ZINC000910480736 674611359 /nfs/dbraw/zinc/61/13/59/674611359.db2.gz YNPUJWGVGNIYCB-CQSZACIVSA-N -1 0 308.338 -0.007 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000910496803 674613947 /nfs/dbraw/zinc/61/39/47/674613947.db2.gz OIFMJLVZIKKBOL-SSMDAZARSA-N -1 0 308.334 -0.398 20 0 DBADRM CC[C@@H]1CN(C(=O)[C@@H](O)Cc2cnn(C)c2)C[C@@]1(F)C(=O)[O-] ZINC000910550591 674617266 /nfs/dbraw/zinc/61/72/66/674617266.db2.gz YWALCXUXDDCGJZ-SUNKGSAMSA-N -1 0 313.329 -0.015 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC000972319709 664367467 /nfs/dbraw/zinc/36/74/67/664367467.db2.gz IXSKBVRHYYVUNM-LKFCYVNXSA-N -1 0 322.369 -0.931 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000910530142 674615571 /nfs/dbraw/zinc/61/55/71/674615571.db2.gz KRIYQRXIBKDIAR-UFBFGSQYSA-N -1 0 302.352 -0.654 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@]3(C2)CN(C[C@@H](C)O)CCO3)c1[O-] ZINC000972347002 664371891 /nfs/dbraw/zinc/37/18/91/664371891.db2.gz QXGRLXIUFLRWHA-MEBBXXQBSA-N -1 0 324.381 -0.279 20 0 DBADRM O=C([O-])C1(C(=O)N[C@H]2CC(=O)N(CC3CC3)C2)CCOCC1 ZINC000910533375 674615956 /nfs/dbraw/zinc/61/59/56/674615956.db2.gz HXQQJIOOTFZZJH-NSHDSACASA-N -1 0 310.350 -0.005 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000972367178 664376990 /nfs/dbraw/zinc/37/69/90/664376990.db2.gz ZMFYKRJLYKXFOY-SCVCMEIPSA-N -1 0 309.370 -0.032 20 0 DBADRM CCC(=O)N[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@H]1O ZINC001022844526 664380833 /nfs/dbraw/zinc/38/08/33/664380833.db2.gz HUCJSYMWHHMSMP-RKDXNWHRSA-N -1 0 320.305 -0.360 20 0 DBADRM CN(CC(=O)[O-])C(=O)COc1nsnc1N1CCOCC1 ZINC000737981541 664403256 /nfs/dbraw/zinc/40/32/56/664403256.db2.gz UEKZDZXUKGKZPU-UHFFFAOYSA-N -1 0 316.339 -0.704 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H]2CO)c1 ZINC000889146947 664411393 /nfs/dbraw/zinc/41/13/93/664411393.db2.gz DJVRYRCJFZMFQP-SECBINFHSA-N -1 0 314.363 -0.151 20 0 DBADRM Cc1cn(C)nc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038250027 664419518 /nfs/dbraw/zinc/41/95/18/664419518.db2.gz UQIBBZSBCIYMBE-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)c1[O-] ZINC001023195307 664465073 /nfs/dbraw/zinc/46/50/73/664465073.db2.gz OEJIYMVXMDGVKS-VXNVDRBHSA-N -1 0 321.293 -0.973 20 0 DBADRM CON1CCC(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])CC1 ZINC000910759964 674640988 /nfs/dbraw/zinc/64/09/88/674640988.db2.gz NSJNZDFQGFKBBD-NSHDSACASA-N -1 0 313.354 -0.548 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000910793771 674642932 /nfs/dbraw/zinc/64/29/32/674642932.db2.gz MCHYWBFLYOZMHO-JZYVYDRUSA-N -1 0 304.368 -0.553 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cc(N4CCOCC4)ncn3)C[C@@H]21 ZINC000910797115 674643804 /nfs/dbraw/zinc/64/38/04/674643804.db2.gz KMUOTTBHDIZGQZ-IWIIMEHWSA-N -1 0 318.333 -0.284 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1CC(=O)[O-] ZINC000910852658 674647727 /nfs/dbraw/zinc/64/77/27/674647727.db2.gz ZPFZLPCUSYQOTG-GHMZBOCLSA-N -1 0 318.395 -0.019 20 0 DBADRM Cc1cn(C)nc1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000991290278 674651306 /nfs/dbraw/zinc/65/13/06/674651306.db2.gz AOFHJUFWIDIMCD-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262387170 664846375 /nfs/dbraw/zinc/84/63/75/664846375.db2.gz LMVSJRMWZXZCPR-IGJMFERPSA-N -1 0 318.395 -0.114 20 0 DBADRM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262387173 664846458 /nfs/dbraw/zinc/84/64/58/664846458.db2.gz LMVSJRMWZXZCPR-RWEMILLDSA-N -1 0 318.395 -0.114 20 0 DBADRM Cn1ncc(C(=O)NC[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001023650584 664847896 /nfs/dbraw/zinc/84/78/96/664847896.db2.gz ZKCFZOHHJIMGJP-SECBINFHSA-N -1 0 320.357 -0.719 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H]1C ZINC001011332389 664865737 /nfs/dbraw/zinc/86/57/37/664865737.db2.gz DKFLYUGJOBEMNH-KWQFWETISA-N -1 0 303.322 -0.238 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC000972725719 664866562 /nfs/dbraw/zinc/86/65/62/664866562.db2.gz XOVKYCRNBKZKSK-SNVBAGLBSA-N -1 0 319.369 -0.481 20 0 DBADRM O=C(N[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1O)c1cc[nH]c1 ZINC001024104981 664874266 /nfs/dbraw/zinc/87/42/66/664874266.db2.gz KGZLRMPKQBHRMU-GHMZBOCLSA-N -1 0 317.305 -0.874 20 0 DBADRM O=C(NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)C1=COCCO1 ZINC001024315773 664884445 /nfs/dbraw/zinc/88/44/45/664884445.db2.gz AMZTVUIIOPXUPD-SNVBAGLBSA-N -1 0 323.353 -0.131 20 0 DBADRM CN1CC[N@H+](C)C[C@H]1CN=c1nn[n-]n1Cc1ccccc1 ZINC000892467805 664887391 /nfs/dbraw/zinc/88/73/91/664887391.db2.gz MNUJRHRPFWRPJZ-CQSZACIVSA-N -1 0 301.398 -0.199 20 0 DBADRM Cn1cc(CC(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001006893725 664889475 /nfs/dbraw/zinc/88/94/75/664889475.db2.gz WZBAUOJOCVWQJW-NSHDSACASA-N -1 0 319.369 -0.433 20 0 DBADRM O=C(NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)c1cn[nH]n1 ZINC001024527608 664894261 /nfs/dbraw/zinc/89/42/61/664894261.db2.gz XENIXIGCAIEEQD-MRVPVSSYSA-N -1 0 306.330 -0.587 20 0 DBADRM COCC[N@@H+]1CCCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001024532545 664894481 /nfs/dbraw/zinc/89/44/81/664894481.db2.gz JJBZLOMBISJUIJ-VIFPVBQESA-N -1 0 311.342 -0.487 20 0 DBADRM Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)co1 ZINC001024544626 664895748 /nfs/dbraw/zinc/89/57/48/664895748.db2.gz CUCFAQPRYUVBBX-GHMZBOCLSA-N -1 0 305.294 -0.679 20 0 DBADRM C[C@@]1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)CC=CCC1 ZINC001024547542 664896575 /nfs/dbraw/zinc/89/65/75/664896575.db2.gz BUJSWZCYMRUNFS-LALPHHSUSA-N -1 0 319.365 -0.147 20 0 DBADRM O=C(NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1CCNC1=O ZINC001024595236 664902477 /nfs/dbraw/zinc/90/24/77/664902477.db2.gz GZFNGMONSSDQPT-UWVGGRQHSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)Cn3cccn3)C2)c1[O-] ZINC000972978936 664933547 /nfs/dbraw/zinc/93/35/47/664933547.db2.gz ZSNAKEDILVKTRC-MGCOHNPYSA-N -1 0 318.337 -0.303 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCCS(=O)(=O)CC2)c[nH]1 ZINC000236484853 664936205 /nfs/dbraw/zinc/93/62/05/664936205.db2.gz FNQLBNPKVKGIBF-UHFFFAOYSA-N -1 0 322.364 -0.478 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(OC)cc1 ZINC000782600659 664945577 /nfs/dbraw/zinc/94/55/77/664945577.db2.gz ZWXFSKYZSWTAAA-UHFFFAOYSA-N -1 0 300.336 -0.109 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@@H]3CCNC3=O)CC2(C)C)c1[O-] ZINC000973043639 664951845 /nfs/dbraw/zinc/95/18/45/664951845.db2.gz PLDKPMWPURSCBQ-NXEZZACHSA-N -1 0 321.381 -0.248 20 0 DBADRM CNC(=O)[C@H](C)N1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C(C)(C)C1 ZINC000973041757 664952781 /nfs/dbraw/zinc/95/27/81/664952781.db2.gz AFYZQALLBCTCQP-UWVGGRQHSA-N -1 0 323.397 -0.002 20 0 DBADRM CCO[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC000973062971 664958479 /nfs/dbraw/zinc/95/84/79/664958479.db2.gz LTLNUTHSYSCJFI-DNRKLUKYSA-N -1 0 320.349 -0.016 20 0 DBADRM O=C(CC1CCC1)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973129057 664993254 /nfs/dbraw/zinc/99/32/54/664993254.db2.gz KRZBBJIYIZUOHF-MGCOHNPYSA-N -1 0 323.353 -0.357 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3ccncn3)C2)c1[O-] ZINC000973178505 665001117 /nfs/dbraw/zinc/00/11/17/665001117.db2.gz FSJUFQHTLAEQNU-KYZUINATSA-N -1 0 316.321 -0.095 20 0 DBADRM NC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001025262970 665011216 /nfs/dbraw/zinc/01/12/16/665011216.db2.gz HSWSPMOCJOPBJT-UWVGGRQHSA-N -1 0 322.369 -0.659 20 0 DBADRM NC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001025262971 665011576 /nfs/dbraw/zinc/01/15/76/665011576.db2.gz HSWSPMOCJOPBJT-VHSXEESVSA-N -1 0 322.369 -0.659 20 0 DBADRM CO[C@@]1(C(=O)[N-]S(=O)(=O)N2CCOCC2)CCSC1 ZINC000892744522 665061803 /nfs/dbraw/zinc/06/18/03/665061803.db2.gz KXGDXQVNXUMKSE-JTQLQIEISA-N -1 0 310.397 -0.798 20 0 DBADRM CCC(=O)N1CC[C@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000936290716 665062110 /nfs/dbraw/zinc/06/21/10/665062110.db2.gz KTHDSICIYKSEHK-VIFPVBQESA-N -1 0 308.338 -0.431 20 0 DBADRM CC(=O)N1CC[C@@H](N(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000936307844 665066518 /nfs/dbraw/zinc/06/65/18/665066518.db2.gz DGHXHUAXIVRGEQ-SNVBAGLBSA-N -1 0 318.337 -0.850 20 0 DBADRM CC(=O)N1CC[C@H](N(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000936307843 665066612 /nfs/dbraw/zinc/06/66/12/665066612.db2.gz DGHXHUAXIVRGEQ-JTQLQIEISA-N -1 0 318.337 -0.850 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC34CC4)C2)c1[O-] ZINC001025788141 665086154 /nfs/dbraw/zinc/08/61/54/665086154.db2.gz HHIQUYLWMPZMKF-OPRDCNLKSA-N -1 0 320.349 -0.475 20 0 DBADRM CO[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1 ZINC001025823631 665091345 /nfs/dbraw/zinc/09/13/45/665091345.db2.gz AQGYAZDUPWKMHY-HKLXJQGRSA-N -1 0 321.381 -0.128 20 0 DBADRM CO[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1 ZINC001025823633 665091377 /nfs/dbraw/zinc/09/13/77/665091377.db2.gz AQGYAZDUPWKMHY-VLLVSFFDSA-N -1 0 321.381 -0.128 20 0 DBADRM CC(C)(F)C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973783724 665109204 /nfs/dbraw/zinc/10/92/04/665109204.db2.gz BVDBNLPXGPFMTM-OLQVQODUSA-N -1 0 313.289 -0.592 20 0 DBADRM C[C@H]1CO[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1 ZINC001025908777 665110601 /nfs/dbraw/zinc/11/06/01/665110601.db2.gz XUZYTJJDVAQDIO-GPTQDWHKSA-N -1 0 307.354 -0.518 20 0 DBADRM C[C@H]1CO[C@@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000893080612 665117875 /nfs/dbraw/zinc/11/78/75/665117875.db2.gz NSFBOZAISDOVJI-RKDXNWHRSA-N -1 0 315.351 -0.105 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973823448 665129247 /nfs/dbraw/zinc/12/92/47/665129247.db2.gz AAPUVJCUPLYSOZ-NGJRWZKOSA-N -1 0 307.310 -0.684 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000973843708 665132642 /nfs/dbraw/zinc/13/26/42/665132642.db2.gz ITAFGLYZYGSZHQ-QEYWKRMJSA-N -1 0 320.349 -0.481 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCN(C(=O)CC2CC2)C1 ZINC000936366268 665137822 /nfs/dbraw/zinc/13/78/22/665137822.db2.gz ALZYNIDZDQZQBQ-SECBINFHSA-N -1 0 321.337 -0.244 20 0 DBADRM CC(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000973887806 665138437 /nfs/dbraw/zinc/13/84/37/665138437.db2.gz PWRPVEUKXNFCIF-DTORHVGOSA-N -1 0 308.338 -0.481 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnns3)C2)c1[O-] ZINC000973916541 665142568 /nfs/dbraw/zinc/14/25/68/665142568.db2.gz ZBRUIMRLXDYUNO-KNVOCYPGSA-N -1 0 322.350 -0.034 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCOC3)C2)c1[O-] ZINC000973929111 665144452 /nfs/dbraw/zinc/14/44/52/665144452.db2.gz QJXDNHQORPGSNA-LPEHRKFASA-N -1 0 308.338 -0.163 20 0 DBADRM O=C(N[C@H]1C[C@@H](NC(=O)C2CC=CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000973972507 665151373 /nfs/dbraw/zinc/15/13/73/665151373.db2.gz LOLGMGFKRHROCF-DTORHVGOSA-N -1 0 319.321 -0.374 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000893226676 665153513 /nfs/dbraw/zinc/15/35/13/665153513.db2.gz DZNXWQUWSBHPAF-ZMLRMANQSA-N -1 0 321.395 -0.091 20 0 DBADRM CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)C1(Cl)CC1 ZINC000893242039 665157211 /nfs/dbraw/zinc/15/72/11/665157211.db2.gz SKGJIXSJOOHOPN-UHFFFAOYSA-N -1 0 303.789 -0.014 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)[N-]S(=O)(=O)C1(Cl)CC1 ZINC000893244557 665157975 /nfs/dbraw/zinc/15/79/75/665157975.db2.gz ZXOFGAICPAGAOQ-UHFFFAOYSA-N -1 0 324.786 -0.200 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3n[nH]cc3F)C2)c1[O-] ZINC000974033373 665158438 /nfs/dbraw/zinc/15/84/38/665158438.db2.gz SZUVOSCPHSDMHC-KNVOCYPGSA-N -1 0 322.300 -0.023 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnnn3C)C2)c1[O-] ZINC000974037708 665159093 /nfs/dbraw/zinc/15/90/93/665159093.db2.gz FENMFWMKRUPQIF-OCAPTIKFSA-N -1 0 319.325 -0.757 20 0 DBADRM CC1(C)C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000974039305 665159538 /nfs/dbraw/zinc/15/95/38/665159538.db2.gz YVNCBGCSXLFYMF-RNJXMRFFSA-N -1 0 321.337 -0.294 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC000974221433 665179453 /nfs/dbraw/zinc/17/94/53/665179453.db2.gz WOSWKNPNNFINAX-DTORHVGOSA-N -1 0 320.309 -0.905 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000974297380 665188355 /nfs/dbraw/zinc/18/83/55/665188355.db2.gz LRTKLHMMTSLNFH-NGZCFLSTSA-N -1 0 320.353 -0.807 20 0 DBADRM CCOc1nc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)co1 ZINC000974297658 665188747 /nfs/dbraw/zinc/18/87/47/665188747.db2.gz NPTFZXIFQNAQDT-OCAPTIKFSA-N -1 0 320.309 -0.118 20 0 DBADRM CCCC(=O)N1CC[C@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000936410197 665192034 /nfs/dbraw/zinc/19/20/34/665192034.db2.gz VLMVQYOONUEGTA-VIFPVBQESA-N -1 0 311.342 -0.451 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000974336201 665193694 /nfs/dbraw/zinc/19/36/94/665193694.db2.gz SPZIVCSOVJEKSK-BGZDPUMWSA-N -1 0 321.337 -0.294 20 0 DBADRM O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC23CC3)C1)c1n[nH]c(=O)[n-]c1=O ZINC000974336178 665193794 /nfs/dbraw/zinc/19/37/94/665193794.db2.gz RBBRQUXWZWKPDB-RNJXMRFFSA-N -1 0 319.321 -0.540 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000974348037 665195437 /nfs/dbraw/zinc/19/54/37/665195437.db2.gz FIEIWWKOUGEHOX-KYXWUPHJSA-N -1 0 323.353 -0.501 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc[n+]([O-])cc1 ZINC001006662780 665211349 /nfs/dbraw/zinc/21/13/49/665211349.db2.gz YAMOGLCEOSGWPL-NSHDSACASA-N -1 0 318.337 -0.462 20 0 DBADRM CC(=O)NC[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000974414944 665217380 /nfs/dbraw/zinc/21/73/80/665217380.db2.gz IUFUZIYODUOGCJ-SNVBAGLBSA-N -1 0 308.338 -0.526 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cncnc1 ZINC000974482649 665224341 /nfs/dbraw/zinc/22/43/41/665224341.db2.gz BESTZCAIEQAYDW-JTQLQIEISA-N -1 0 317.353 -0.059 20 0 DBADRM CCCC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974630230 665235649 /nfs/dbraw/zinc/23/56/49/665235649.db2.gz ITALNQGXMDCWSZ-RKDXNWHRSA-N -1 0 321.337 -0.244 20 0 DBADRM O=C(CCc1c[nH]cn1)N1CC[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001026879392 665239813 /nfs/dbraw/zinc/23/98/13/665239813.db2.gz VTUKRKLHPUDXIP-SNVBAGLBSA-N -1 0 319.369 -0.196 20 0 DBADRM CCC(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000974703879 665241026 /nfs/dbraw/zinc/24/10/26/665241026.db2.gz OQTSHYPOXAYVML-RKDXNWHRSA-N -1 0 309.326 -0.841 20 0 DBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000299920519 665247083 /nfs/dbraw/zinc/24/70/83/665247083.db2.gz KURNIKLKECGWRQ-IWSPIJDZSA-N -1 0 323.392 -0.435 20 0 DBADRM Cn1cncc1C(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC000974793622 665247855 /nfs/dbraw/zinc/24/78/55/665247855.db2.gz WCXVKZBGBFJXBJ-JTQLQIEISA-N -1 0 319.369 -0.116 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)CC1=O ZINC000866894070 665254314 /nfs/dbraw/zinc/25/43/14/665254314.db2.gz VZWGTLDCLREMRC-HRDYMLBCSA-N -1 0 309.413 -0.442 20 0 DBADRM O=C(CC1CC1)N[C@@H]1[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000976041877 665320976 /nfs/dbraw/zinc/32/09/76/665320976.db2.gz BHSDOYJLQRPBCU-GDGBQDQQSA-N -1 0 321.337 -0.938 20 0 DBADRM CCC[C@@H](NC(=O)CSCC(=O)N1CCOCC1)C(=O)[O-] ZINC000036835844 665321102 /nfs/dbraw/zinc/32/11/02/665321102.db2.gz MZGWAFZHWAFKMS-SNVBAGLBSA-N -1 0 318.395 -0.052 20 0 DBADRM CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000976187274 665331911 /nfs/dbraw/zinc/33/19/11/665331911.db2.gz IHQYEWULHRKKAI-JIGDXULJSA-N -1 0 307.310 -0.875 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCCO4)C[C@H]32)c1[O-] ZINC000976361978 665354040 /nfs/dbraw/zinc/35/40/40/665354040.db2.gz JUFLURUXNLDUJZ-YTWAJWBKSA-N -1 0 320.349 -0.211 20 0 DBADRM CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[n-]n2c1nccc2=O ZINC000976529979 665367490 /nfs/dbraw/zinc/36/74/90/665367490.db2.gz VCZCSZDATGKWHT-IWIIMEHWSA-N -1 0 315.333 -0.381 20 0 DBADRM CC1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4n[nH]c(=O)[n-]c4=O)C[C@H]32)CC1 ZINC000976644802 665379055 /nfs/dbraw/zinc/37/90/55/665379055.db2.gz YHBISTUXGQUICO-JIGDXULJSA-N -1 0 319.321 -0.731 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccns3)C[C@H]21)c1cn[nH]n1 ZINC000976810828 665395414 /nfs/dbraw/zinc/39/54/14/665395414.db2.gz KDGVNZLGXLXNEP-MTBHXBHISA-N -1 0 304.335 -0.238 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)CN2CSCC2=O)C1 ZINC000313726697 665398648 /nfs/dbraw/zinc/39/86/48/665398648.db2.gz XJBSCCWOMFIOQM-LBPRGKRZSA-N -1 0 302.352 -0.531 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(C(=O)C3CCC3)C[C@H]21)c1n[nH]c(=O)[n-]c1=O ZINC000976890292 665403289 /nfs/dbraw/zinc/40/32/89/665403289.db2.gz CNDGDUUHYSRJEQ-BRPSZJMVSA-N -1 0 319.321 -0.731 20 0 DBADRM CC(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000976888374 665403429 /nfs/dbraw/zinc/40/34/29/665403429.db2.gz HVKLZUYTIBHARB-MBTKJCJQSA-N -1 0 321.337 -0.485 20 0 DBADRM CC(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000976891283 665404081 /nfs/dbraw/zinc/40/40/81/665404081.db2.gz YMHQBNGOTOEKNC-JIGDXULJSA-N -1 0 307.310 -0.875 20 0 DBADRM COC1CC(C(=O)N(CCN2CCOCC2)CC(=O)[O-])C1 ZINC000911366050 674714332 /nfs/dbraw/zinc/71/43/32/674714332.db2.gz RWHSLILTRBFNFT-UHFFFAOYSA-N -1 0 300.355 -0.343 20 0 DBADRM C[C@H]1COC[C@@H]1NC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000911422437 674724699 /nfs/dbraw/zinc/72/46/99/674724699.db2.gz RKWLYLQVTGQTSD-IXLVHKGHSA-N -1 0 310.350 -0.293 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC000911638705 674742225 /nfs/dbraw/zinc/74/22/25/674742225.db2.gz OYTMWFWNPCOSCB-WCABBAIRSA-N -1 0 316.379 -0.266 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC000911638703 674742538 /nfs/dbraw/zinc/74/25/38/674742538.db2.gz OYTMWFWNPCOSCB-FXPVBKGRSA-N -1 0 316.379 -0.266 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-])CC2 ZINC000911632017 674742875 /nfs/dbraw/zinc/74/28/75/674742875.db2.gz VFXBLFRTPSSMHG-OASPWFOLSA-N -1 0 307.350 -0.039 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cccn1CCN1CCOCC1 ZINC000911897380 674751351 /nfs/dbraw/zinc/75/13/51/674751351.db2.gz BNKLOBXPQPFRLR-UHFFFAOYSA-N -1 0 324.381 -0.382 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1nnn(C)n1 ZINC000912553108 674776591 /nfs/dbraw/zinc/77/65/91/674776591.db2.gz IPVWBSPGSKIQIV-UHFFFAOYSA-N -1 0 315.315 -0.781 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@H](C)[C@H]1C(=O)[O-] ZINC000912559286 674777235 /nfs/dbraw/zinc/77/72/35/674777235.db2.gz YDSAQPBNJSOORB-XPUUQOCRSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-] ZINC000912559285 674777374 /nfs/dbraw/zinc/77/73/74/674777374.db2.gz YDSAQPBNJSOORB-SVRRBLITSA-N -1 0 317.323 -0.320 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)OC)C(=O)[O-] ZINC000912558160 674777541 /nfs/dbraw/zinc/77/75/41/674777541.db2.gz KPNQXFJVONCZSB-ZCFIWIBFSA-N -1 0 305.312 -0.354 20 0 DBADRM CN(C(=O)CN1CCN(c2ccccn2)CC1)c1nnn[n-]1 ZINC000912617545 674778485 /nfs/dbraw/zinc/77/84/85/674778485.db2.gz FYCSDRXXMUQGPM-UHFFFAOYSA-N -1 0 302.342 -0.620 20 0 DBADRM C[C@]1(C(=O)[N-]OCCN2CCCC2=O)CCCS1(=O)=O ZINC000912629514 674781311 /nfs/dbraw/zinc/78/13/11/674781311.db2.gz UPHJNGMRMLEXHB-GFCCVEGCSA-N -1 0 304.368 -0.376 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C3CCC3)C[C@H]2O)c1[O-] ZINC000991396653 674783680 /nfs/dbraw/zinc/78/36/80/674783680.db2.gz WOMWTKBCJKUVKY-WDEREUQCSA-N -1 0 322.365 -0.085 20 0 DBADRM Cn1c2c(nc(Br)n2CC(=O)[O-])c(=O)n(C)c1=O ZINC000913076288 674790181 /nfs/dbraw/zinc/79/01/81/674790181.db2.gz DALPTGWTXQURDH-UHFFFAOYSA-N -1 0 317.099 -0.719 20 0 DBADRM CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1CS(=O)(=O)C1 ZINC000913138191 674790957 /nfs/dbraw/zinc/79/09/57/674790957.db2.gz QMEPEKAXLSRERO-UHFFFAOYSA-N -1 0 316.301 -0.301 20 0 DBADRM O=C([C@@H]1CSCCS1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC000913495585 674801253 /nfs/dbraw/zinc/80/12/53/674801253.db2.gz LNDZNLQLKOQVDA-SFYZADRCSA-N -1 0 301.397 -0.052 20 0 DBADRM Cc1c(C(=O)[N-]N2CC(=O)NC2=O)nnn1-c1ccccc1 ZINC000055278872 674806041 /nfs/dbraw/zinc/80/60/41/674806041.db2.gz ZLUVRMHOZGPYQV-UHFFFAOYSA-N -1 0 300.278 -0.228 20 0 DBADRM CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCC(N)=O)c1 ZINC000055251909 674806303 /nfs/dbraw/zinc/80/63/03/674806303.db2.gz XRLIRYUSVXYJDN-UHFFFAOYSA-N -1 0 315.351 -0.241 20 0 DBADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)[N-]NC(=O)C(C)C ZINC000044953441 674807528 /nfs/dbraw/zinc/80/75/28/674807528.db2.gz GPNBXBVIOQWMTA-UHFFFAOYSA-N -1 0 303.340 -0.039 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)[C@H]2CC23CCC3)C1 ZINC000991541067 674811920 /nfs/dbraw/zinc/81/19/20/674811920.db2.gz WNQZEJJFGCLTCD-SECBINFHSA-N -1 0 321.337 -0.794 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)[C@H]1CC12CCC2 ZINC000991540458 674812041 /nfs/dbraw/zinc/81/20/41/674812041.db2.gz VFRJVZSGIMICLD-MRVPVSSYSA-N -1 0 319.321 -0.586 20 0 DBADRM Nc1nc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)nc2ccccc12 ZINC000572713855 674816692 /nfs/dbraw/zinc/81/66/92/674816692.db2.gz JCRXNCVMFIYQPL-JTQLQIEISA-N -1 0 322.346 -0.100 20 0 DBADRM O=C(N[C@@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)c1cn[nH]n1 ZINC000991568367 674820606 /nfs/dbraw/zinc/82/06/06/674820606.db2.gz NHPAPOAUUZJJSB-TVQRCGJNSA-N -1 0 318.341 -0.445 20 0 DBADRM CNC(=O)N[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000057124776 674823172 /nfs/dbraw/zinc/82/31/72/674823172.db2.gz KCVMAJOCWCGAMU-UHFFFAOYSA-N -1 0 312.351 -0.064 20 0 DBADRM CNC(=O)N[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000057124763 674823407 /nfs/dbraw/zinc/82/34/07/674823407.db2.gz OUBNLUUGHPNGNE-UHFFFAOYSA-N -1 0 307.303 -0.035 20 0 DBADRM O=C(N[N-]S(=O)(=O)c1cn[nH]c1)c1ccc2c(c1)OCCO2 ZINC000057116743 674823594 /nfs/dbraw/zinc/82/35/94/674823594.db2.gz URIIOYGNSKGWKY-UHFFFAOYSA-N -1 0 324.318 -0.196 20 0 DBADRM COCCOCCCCNC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000166584288 674837776 /nfs/dbraw/zinc/83/77/76/674837776.db2.gz LQAGMKWVEJXNQM-NSHDSACASA-N -1 0 304.343 -0.075 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)C2CC=CC2)C[C@H]1O)c1cn[nH]n1 ZINC000991604845 674843160 /nfs/dbraw/zinc/84/31/60/674843160.db2.gz UHMGBPNXZYBVKJ-CMPLNLGQSA-N -1 0 305.338 -0.538 20 0 DBADRM Cc1cc[nH]c1C(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC000991606722 674843807 /nfs/dbraw/zinc/84/38/07/674843807.db2.gz ZHCQHKQFGNKVPB-MWLCHTKSSA-N -1 0 318.337 -0.553 20 0 DBADRM CCn1nncc1CN1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001030224363 674847279 /nfs/dbraw/zinc/84/72/79/674847279.db2.gz KAGDCCRSPXEKPV-UHFFFAOYSA-N -1 0 305.342 -0.351 20 0 DBADRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[N-]C(=O)c1cn[nH]n1 ZINC000058836955 674862763 /nfs/dbraw/zinc/86/27/63/674862763.db2.gz RXKRGIMRKBKWLC-MRVPVSSYSA-N -1 0 300.278 -0.095 20 0 DBADRM O=C(NC1CN(C(=O)C2CCC2)C1)c1c[n-]n2c1nccc2=O ZINC000991658727 674860237 /nfs/dbraw/zinc/86/02/37/674860237.db2.gz IFYMIVJJMINBKM-UHFFFAOYSA-N -1 0 315.333 -0.237 20 0 DBADRM C/C=C(\C)C(=O)N1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000991664152 674861296 /nfs/dbraw/zinc/86/12/96/674861296.db2.gz DXJGHCIQFLFMHS-YCRREMRBSA-N -1 0 315.333 -0.071 20 0 DBADRM O=C(CC1CC1)N1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000991664714 674861582 /nfs/dbraw/zinc/86/15/82/674861582.db2.gz FZZSWQBCQWJYCE-UHFFFAOYSA-N -1 0 315.333 -0.237 20 0 DBADRM CC(C)[C@@H]1CCO[C@@H]1C(=O)NC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001030325074 674864731 /nfs/dbraw/zinc/86/47/31/674864731.db2.gz CNFKIZVUEYREME-AAEUAGOBSA-N -1 0 323.397 -0.530 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cccc2n[nH]nc21 ZINC001030361692 674870579 /nfs/dbraw/zinc/87/05/79/674870579.db2.gz YHDMRKDHOMGSHY-UHFFFAOYSA-N -1 0 314.309 -0.604 20 0 DBADRM CC(C)n1nccc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030371531 674871998 /nfs/dbraw/zinc/87/19/98/674871998.db2.gz VIELQLUDDYMAJI-UHFFFAOYSA-N -1 0 305.342 -0.098 20 0 DBADRM CC(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030419768 674886411 /nfs/dbraw/zinc/88/64/11/674886411.db2.gz ZYOJCUVZLMWWGL-JQWIXIFHSA-N -1 0 309.370 -0.128 20 0 DBADRM CC(C)[C@H]1OCC[C@@H]1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030419767 674886541 /nfs/dbraw/zinc/88/65/41/674886541.db2.gz ZYOJCUVZLMWWGL-CMPLNLGQSA-N -1 0 309.370 -0.128 20 0 DBADRM CCn1nnc(C)c1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030431862 674888424 /nfs/dbraw/zinc/88/84/24/674888424.db2.gz PWTOQBCWCAWKLK-UHFFFAOYSA-N -1 0 306.330 -0.956 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)OC)C1 ZINC000842320046 674893052 /nfs/dbraw/zinc/89/30/52/674893052.db2.gz TXOFIVGWHSDGLZ-ZJUUUORDSA-N -1 0 322.383 -0.485 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)[C@H]1CCNC(=O)CC1 ZINC001038563396 674902287 /nfs/dbraw/zinc/90/22/87/674902287.db2.gz OTPGWKBDCTUANS-ZJUUUORDSA-N -1 0 322.369 -0.883 20 0 DBADRM COC(=O)c1ccnc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000842346063 674904750 /nfs/dbraw/zinc/90/47/50/674904750.db2.gz ACKSGYKCLNAWES-QMMMGPOBSA-N -1 0 316.335 -0.037 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)CCS(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC000229229316 674908265 /nfs/dbraw/zinc/90/82/65/674908265.db2.gz YCLZDFJNACSGIJ-RKDXNWHRSA-N -1 0 313.397 -0.454 20 0 DBADRM Cc1noc([C@@H](C)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001030615521 674913039 /nfs/dbraw/zinc/91/30/39/674913039.db2.gz LAEZKCUZFSMLAN-RXMQYKEDSA-N -1 0 321.297 -0.851 20 0 DBADRM O=C(NC1CN(CC2CC(F)(F)C2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030616813 674913095 /nfs/dbraw/zinc/91/30/95/674913095.db2.gz KSCJUYVUHYFONJ-UHFFFAOYSA-N -1 0 315.280 -0.258 20 0 DBADRM C[C@H](c1csnn1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030616796 674913105 /nfs/dbraw/zinc/91/31/05/674913105.db2.gz JRURXFYJDIQTKZ-RXMQYKEDSA-N -1 0 323.338 -0.691 20 0 DBADRM Cc1noc(C)c1CN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030616890 674913173 /nfs/dbraw/zinc/91/31/73/674913173.db2.gz NTEFZELCJHNGFK-UHFFFAOYSA-N -1 0 320.309 -0.498 20 0 DBADRM O=C(NC1CN(Cc2cncc(F)c2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030616658 674913219 /nfs/dbraw/zinc/91/32/19/674913219.db2.gz DLLQCFPSGFBSPY-UHFFFAOYSA-N -1 0 320.284 -0.569 20 0 DBADRM Cc1cnc([C@H](C)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001030616977 674913372 /nfs/dbraw/zinc/91/33/72/674913372.db2.gz RAJBVWYSVLIUDM-ZETCQYMHSA-N -1 0 320.309 -0.246 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cccc2ncnn21 ZINC001030620955 674914030 /nfs/dbraw/zinc/91/40/30/674914030.db2.gz KBGCYTHQTISONJ-UHFFFAOYSA-N -1 0 314.309 -0.833 20 0 DBADRM COc1nc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)co1 ZINC001038564376 674916613 /nfs/dbraw/zinc/91/66/13/674916613.db2.gz ZDBMIJVXVDAMIY-SSDOTTSWSA-N -1 0 308.298 -0.489 20 0 DBADRM Cc1nc(C)c(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)nc1C ZINC001030651313 674917935 /nfs/dbraw/zinc/91/79/35/674917935.db2.gz WUAYJKLKEZYQGT-UHFFFAOYSA-N -1 0 317.353 -0.160 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000231024481 674920420 /nfs/dbraw/zinc/92/04/20/674920420.db2.gz QTUPYUVVANMBGB-UHFFFAOYSA-N -1 0 315.351 -0.243 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cccc2nccn21 ZINC001030670943 674921136 /nfs/dbraw/zinc/92/11/36/674921136.db2.gz OLHPINQHMVHEDL-UHFFFAOYSA-N -1 0 313.321 -0.228 20 0 DBADRM CC[C@H]1C[C@@H](C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)CC(=O)N1 ZINC001030725516 674932674 /nfs/dbraw/zinc/93/26/74/674932674.db2.gz STZSFKQQDHYMHO-BDAKNGLRSA-N -1 0 322.369 -0.885 20 0 DBADRM Cn1ncc(C(=O)NCC2CC(NC(=O)c3cn[nH]n3)C2)c1N ZINC000992053954 674937446 /nfs/dbraw/zinc/93/74/46/674937446.db2.gz VWVVUOVNLARINQ-UHFFFAOYSA-N -1 0 318.341 -0.941 20 0 DBADRM CC(C)C(=O)NC1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000992253125 674979280 /nfs/dbraw/zinc/97/92/80/674979280.db2.gz SHGPHOGNONFUTK-UHFFFAOYSA-N -1 0 309.326 -0.437 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030833904 674972834 /nfs/dbraw/zinc/97/28/34/674972834.db2.gz DYJDSGNCLGYJCF-JTQLQIEISA-N -1 0 322.369 -0.790 20 0 DBADRM O=C(NCC1CC(NC(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000992253737 674979197 /nfs/dbraw/zinc/97/91/97/674979197.db2.gz XADMFVMFNULOBT-UHFFFAOYSA-N -1 0 307.310 -0.683 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2csnn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015108478 674983988 /nfs/dbraw/zinc/98/39/88/674983988.db2.gz CNPSFJNAYJJXIN-ZCFIWIBFSA-N -1 0 323.338 -0.861 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2nncs2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015119328 674989843 /nfs/dbraw/zinc/98/98/43/674989843.db2.gz LBHAAYPSBQFYKQ-ZCFIWIBFSA-N -1 0 323.338 -0.861 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CC(CNC(=O)c3cnon3)C2)c1[O-] ZINC000992327102 674991736 /nfs/dbraw/zinc/99/17/36/674991736.db2.gz YVGFEJSUVVTCBM-UHFFFAOYSA-N -1 0 320.309 -0.255 20 0 DBADRM O=C(N[C@@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)c1cnon1 ZINC000992339659 674993427 /nfs/dbraw/zinc/99/34/27/674993427.db2.gz DNXHKZXPWWOKSZ-TVQRCGJNSA-N -1 0 319.325 -0.180 20 0 DBADRM CC(=O)N1C[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@]2(C)C1 ZINC000992458333 675001877 /nfs/dbraw/zinc/00/18/77/675001877.db2.gz XWWYZPDDYQVPPO-ISVAXAHUSA-N -1 0 307.310 -0.777 20 0 DBADRM CCOc1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)ccn1 ZINC001030930797 674998315 /nfs/dbraw/zinc/99/83/15/674998315.db2.gz IZFHTDYRRUCHER-UHFFFAOYSA-N -1 0 318.337 -0.082 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1nccn2ccnc12 ZINC001030974997 675016617 /nfs/dbraw/zinc/01/66/17/675016617.db2.gz OPUUSMAHVNISDB-UHFFFAOYSA-N -1 0 314.309 -0.833 20 0 DBADRM COc1cc(CC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)ccn1 ZINC001030962259 675013385 /nfs/dbraw/zinc/01/33/85/675013385.db2.gz SJEIISIDBMAHHL-UHFFFAOYSA-N -1 0 318.337 -0.543 20 0 DBADRM COc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c(OC)c1 ZINC000753945750 675030656 /nfs/dbraw/zinc/03/06/56/675030656.db2.gz TYTCZVSPIDRAML-UHFFFAOYSA-N -1 0 302.308 -0.751 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC(=O)N1CCCc2ccccc21 ZINC000914364355 675032658 /nfs/dbraw/zinc/03/26/58/675032658.db2.gz WLVNYLDFGUDDHA-UHFFFAOYSA-N -1 0 320.349 -0.057 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000914417345 675034047 /nfs/dbraw/zinc/03/40/47/675034047.db2.gz LQZLHSLJSHKYHK-JTQLQIEISA-N -1 0 306.322 -0.231 20 0 DBADRM COc1ccc(CC(=O)[N-]S(=O)(=O)CC(N)=O)cc1F ZINC000753951438 675034840 /nfs/dbraw/zinc/03/48/40/675034840.db2.gz UKLPFDAUTQOHFE-UHFFFAOYSA-N -1 0 304.299 -0.692 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc(C2CC2)nc1 ZINC001031058700 675035079 /nfs/dbraw/zinc/03/50/79/675035079.db2.gz YJVCQFNCIMXWSZ-UHFFFAOYSA-N -1 0 315.337 -0.208 20 0 DBADRM COCc1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001031062947 675035713 /nfs/dbraw/zinc/03/57/13/675035713.db2.gz IJTXUWKMYRYHDP-UHFFFAOYSA-N -1 0 308.298 -0.741 20 0 DBADRM O=C(NC1CN(Cc2cnon2)C1)c1c[n-]n2c1nccc2=O ZINC001031068445 675035955 /nfs/dbraw/zinc/03/59/55/675035955.db2.gz JBEUHKQBNBYHNK-UHFFFAOYSA-N -1 0 315.293 -0.980 20 0 DBADRM CN(CC(=O)N1CCCC1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730518501 675036349 /nfs/dbraw/zinc/03/63/49/675036349.db2.gz KGAAPOVDEBCFRE-UHFFFAOYSA-N -1 0 318.337 -0.848 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C2(C)CC2)C1 ZINC001006497238 675036378 /nfs/dbraw/zinc/03/63/78/675036378.db2.gz YBQKRUROPJGMCI-ZETCQYMHSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(C)OC(=O)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730518670 675036436 /nfs/dbraw/zinc/03/64/36/675036436.db2.gz NACKBVYRJSHPRX-UHFFFAOYSA-N -1 0 307.310 -0.471 20 0 DBADRM COC(=O)C1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCCC1 ZINC000730535772 675038408 /nfs/dbraw/zinc/03/84/08/675038408.db2.gz JIYFUYWFBFENMM-UHFFFAOYSA-N -1 0 319.321 -0.327 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCNc1ccccn1 ZINC000730587342 675040630 /nfs/dbraw/zinc/04/06/30/675040630.db2.gz KARHCGMRMXHYRV-UHFFFAOYSA-N -1 0 313.321 -0.306 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCC(=O)N1CCCCC1 ZINC000730660056 675045709 /nfs/dbraw/zinc/04/57/09/675045709.db2.gz XGQNNQSJLKWPIY-UHFFFAOYSA-N -1 0 319.321 -0.373 20 0 DBADRM Cc1c(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)nnn1C(C)C ZINC001031163394 675053413 /nfs/dbraw/zinc/05/34/13/675053413.db2.gz INAAFOUWMRQTAJ-UHFFFAOYSA-N -1 0 320.357 -0.395 20 0 DBADRM COCc1nc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001031166884 675054956 /nfs/dbraw/zinc/05/49/56/675054956.db2.gz SUWAGCWMKSDJQX-UHFFFAOYSA-N -1 0 308.298 -0.741 20 0 DBADRM C[C@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000763017290 675055149 /nfs/dbraw/zinc/05/51/49/675055149.db2.gz XVTVOOLSBDZAFT-ONGXEEELSA-N -1 0 304.368 -0.315 20 0 DBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000730918252 675055912 /nfs/dbraw/zinc/05/59/12/675055912.db2.gz XVKIXCBUOJIJDB-UHFFFAOYSA-N -1 0 321.380 -0.479 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C(C)(C)OC)CC1 ZINC000730921629 675055965 /nfs/dbraw/zinc/05/59/65/675055965.db2.gz BKLPAQRMHRBAJX-UHFFFAOYSA-N -1 0 322.383 -0.343 20 0 DBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)N(C)C(C)C ZINC000730923818 675056183 /nfs/dbraw/zinc/05/61/83/675056183.db2.gz DJLQOERTMJLKDV-UHFFFAOYSA-N -1 0 312.413 -0.016 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCO2 ZINC000731921114 677347518 /nfs/dbraw/zinc/34/75/18/677347518.db2.gz LYNRCCHHWVYHRK-UHFFFAOYSA-N -1 0 301.276 -0.352 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2Cc2cn(C)nn2)c1[O-] ZINC001038164783 670510852 /nfs/dbraw/zinc/51/08/52/670510852.db2.gz LZARVYIDVJFXSN-SNVBAGLBSA-N -1 0 305.342 -0.443 20 0 DBADRM O=C(c1ncccn1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000982369729 670528414 /nfs/dbraw/zinc/52/84/14/670528414.db2.gz LMTKOSHOGOMEBR-UHFFFAOYSA-N -1 0 303.326 -0.352 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc(=O)[nH]n1 ZINC001028385565 670725188 /nfs/dbraw/zinc/72/51/88/670725188.db2.gz GFCNSHRDFXBHLM-MRVPVSSYSA-N -1 0 319.325 -0.742 20 0 DBADRM Cn1cc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001028394930 670733759 /nfs/dbraw/zinc/73/37/59/670733759.db2.gz IXAGRQDMUNUHLX-VIFPVBQESA-N -1 0 305.342 -0.504 20 0 DBADRM Cc1ncncc1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028424420 670745760 /nfs/dbraw/zinc/74/57/60/670745760.db2.gz WQWLADUWGMFYIV-JTQLQIEISA-N -1 0 317.353 -0.139 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnns1 ZINC001028427702 670750870 /nfs/dbraw/zinc/75/08/70/670750870.db2.gz HZJMDQKAYKXGOE-SSDOTTSWSA-N -1 0 309.355 -0.386 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001028431260 670752045 /nfs/dbraw/zinc/75/20/45/670752045.db2.gz NNLCNXNVQBNEAP-JTQLQIEISA-N -1 0 319.369 -0.196 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN(Cc3nnn(C)n3)C2)c1[O-] ZINC001028485104 670807278 /nfs/dbraw/zinc/80/72/78/670807278.db2.gz KLXRMXIQLGTILR-SECBINFHSA-N -1 0 320.357 -0.801 20 0 DBADRM COc1cc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001028492499 670809580 /nfs/dbraw/zinc/80/95/80/670809580.db2.gz RGTWOTOODCZSOS-MRVPVSSYSA-N -1 0 322.325 -0.241 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cncnc1 ZINC001028495967 670811709 /nfs/dbraw/zinc/81/17/09/670811709.db2.gz OVGNYIVWPWIYAP-VIFPVBQESA-N -1 0 303.326 -0.448 20 0 DBADRM CCn1nccc1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028503993 670819763 /nfs/dbraw/zinc/81/97/63/670819763.db2.gz RNRBEQVCGXYVQJ-SNVBAGLBSA-N -1 0 319.369 -0.021 20 0 DBADRM CCn1ccnc1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028512406 670824289 /nfs/dbraw/zinc/82/42/89/670824289.db2.gz UMMBZNQBNXKXFX-SNVBAGLBSA-N -1 0 319.369 -0.021 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc[nH]c1=O ZINC001028621604 670889102 /nfs/dbraw/zinc/88/91/02/670889102.db2.gz ZLQXCLUXYDSZIV-QMMMGPOBSA-N -1 0 319.325 -0.742 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCN(C2CCC2)CC1)C(=O)[O-] ZINC000927954099 670898485 /nfs/dbraw/zinc/89/84/85/670898485.db2.gz UXMNCGJQOMBOES-NSHDSACASA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C1CC1 ZINC001012134080 671040751 /nfs/dbraw/zinc/04/07/51/671040751.db2.gz LDEUCVNDZXJSAD-XPUUQOCRSA-N -1 0 307.310 -0.588 20 0 DBADRM CCC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983373777 671095898 /nfs/dbraw/zinc/09/58/98/671095898.db2.gz HRVFANIRDFXHLH-HTQZYQBOSA-N -1 0 309.326 -0.150 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1(=O)=O ZINC000791803015 671153717 /nfs/dbraw/zinc/15/37/17/671153717.db2.gz WEYXTZPINXSFCD-VIFPVBQESA-N -1 0 313.397 -0.564 20 0 DBADRM Cc1nonc1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001029017318 671160924 /nfs/dbraw/zinc/16/09/24/671160924.db2.gz BLJBIRFRGJTLEN-QMMMGPOBSA-N -1 0 307.314 -0.546 20 0 DBADRM CC[C@@H](CNS(=O)(=O)CCS(C)(=O)=O)CC(=O)[O-] ZINC000147372564 671203055 /nfs/dbraw/zinc/20/30/55/671203055.db2.gz DKOHGUNRXRYOKO-MRVPVSSYSA-N -1 0 301.386 -0.549 20 0 DBADRM O=C(Cn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)N1CCCC1 ZINC000048869379 671249178 /nfs/dbraw/zinc/24/91/78/671249178.db2.gz VIMGMDLHVGLQJQ-UHFFFAOYSA-N -1 0 303.300 -0.752 20 0 DBADRM O=C(N[C@H]1C[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1)[C@]12C[C@H]1COC2 ZINC000983720702 671250520 /nfs/dbraw/zinc/25/05/20/671250520.db2.gz WQHULCNAKNCKKC-QSDJMHMYSA-N -1 0 307.354 -0.469 20 0 DBADRM COC1(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)CCOCC1 ZINC000793189454 671278384 /nfs/dbraw/zinc/27/83/84/671278384.db2.gz GXFPRRMRTKGJMJ-SNVBAGLBSA-N -1 0 307.368 -0.193 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@](C)(O)C1CC1 ZINC000909426233 671283059 /nfs/dbraw/zinc/28/30/59/671283059.db2.gz GGNFKYVTCQTTBI-ZUZCIYMTSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cc1ccn(C)n1 ZINC000909429872 671285859 /nfs/dbraw/zinc/28/58/59/671285859.db2.gz FMKKGUJPDSREAF-NSHDSACASA-N -1 0 322.365 -0.256 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@@H]2CCNC2=O)c1[O-] ZINC001029272715 671293304 /nfs/dbraw/zinc/29/33/04/671293304.db2.gz CADZXRJKESHIQZ-OUAUKWLOSA-N -1 0 319.365 -0.399 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1[O-] ZINC001029273189 671294159 /nfs/dbraw/zinc/29/41/59/671294159.db2.gz SXPRPQWPXNXKBL-PHIMTYICSA-N -1 0 321.381 -0.199 20 0 DBADRM O=C(c1cn[nH]n1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029377083 671324565 /nfs/dbraw/zinc/32/45/65/671324565.db2.gz CHIFWYVIMHULRJ-OCAPTIKFSA-N -1 0 304.314 -0.883 20 0 DBADRM COC1CC(C(=O)NCc2nc(CNC(C)=O)cc(=O)[nH]2)C1 ZINC000984146968 671327098 /nfs/dbraw/zinc/32/70/98/671327098.db2.gz KIAGCTKDKPZSEQ-UHFFFAOYSA-N -1 0 308.338 -0.141 20 0 DBADRM O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccon2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000984209479 671333130 /nfs/dbraw/zinc/33/31/30/671333130.db2.gz UQMYCQRACFJWPL-XWEPSHTISA-N -1 0 320.309 -0.431 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)C2CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000984402531 671348216 /nfs/dbraw/zinc/34/82/16/671348216.db2.gz SMEYXJQLNAODKV-VHSXEESVSA-N -1 0 323.353 -0.405 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)NC(C)(C)CCC(=O)[O-] ZINC000262233518 671355029 /nfs/dbraw/zinc/35/50/29/671355029.db2.gz XBSAXEKIAGRKPJ-UHFFFAOYSA-N -1 0 324.399 -0.298 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000895571218 671358695 /nfs/dbraw/zinc/35/86/95/671358695.db2.gz WBJXCRYZHHRRSZ-RYUDHWBXSA-N -1 0 315.370 -0.109 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000732523315 677363847 /nfs/dbraw/zinc/36/38/47/677363847.db2.gz YCXCZGQETAVAED-NSHDSACASA-N -1 0 313.331 -0.140 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000895571217 671359251 /nfs/dbraw/zinc/35/92/51/671359251.db2.gz WBJXCRYZHHRRSZ-NWDGAFQWSA-N -1 0 315.370 -0.109 20 0 DBADRM CCC[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000262340777 671435984 /nfs/dbraw/zinc/43/59/84/671435984.db2.gz CODFOAXOHSNHQE-SECBINFHSA-N -1 0 307.372 -0.729 20 0 DBADRM CC(C)C(=O)N1CC([C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006496064 671442238 /nfs/dbraw/zinc/44/22/38/671442238.db2.gz UYJOEWDDNCCNGW-ZETCQYMHSA-N -1 0 309.326 -0.485 20 0 DBADRM CCC[C@H](NC(=O)CNS(=O)(=O)CCOCC)C(=O)[O-] ZINC000262371063 671444007 /nfs/dbraw/zinc/44/40/07/671444007.db2.gz LTSRDDWPYNOCOO-VIFPVBQESA-N -1 0 310.372 -0.688 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1cc(Br)cn1)C(=O)[O-] ZINC000262379461 671445223 /nfs/dbraw/zinc/44/52/23/671445223.db2.gz KFAGXTCGADLUML-SECBINFHSA-N -1 0 306.116 -0.403 20 0 DBADRM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262387172 671446095 /nfs/dbraw/zinc/44/60/95/671446095.db2.gz LMVSJRMWZXZCPR-RVBZMBCESA-N -1 0 318.395 -0.114 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N(CC(=O)[O-])CC(C)C ZINC000262393278 671446927 /nfs/dbraw/zinc/44/69/27/671446927.db2.gz KVPKZAQGMRAMHK-UHFFFAOYSA-N -1 0 315.370 -0.412 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000262425416 671452366 /nfs/dbraw/zinc/45/23/66/671452366.db2.gz RMMBOAAVCAEWJH-JTQLQIEISA-N -1 0 322.364 -0.778 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)N(CCOC)CCOC ZINC000262465023 671457246 /nfs/dbraw/zinc/45/72/46/671457246.db2.gz SUNNEOVDMOVACJ-UHFFFAOYSA-N -1 0 312.388 -0.377 20 0 DBADRM NC(=O)c1csc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)c1 ZINC000796887946 671459581 /nfs/dbraw/zinc/45/95/81/671459581.db2.gz AMYSPJCXFPIQPV-UHFFFAOYSA-N -1 0 300.321 -0.311 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000262485261 671462106 /nfs/dbraw/zinc/46/21/06/671462106.db2.gz IMJVMJJPKFGUJI-WBMJQRKESA-N -1 0 320.345 -0.013 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)COCc1nnc(C)s1 ZINC000797022443 671462845 /nfs/dbraw/zinc/46/28/45/671462845.db2.gz QULDDYQRNPQCEW-SSDOTTSWSA-N -1 0 323.396 -0.156 20 0 DBADRM CC(=O)N[C@H]1C[C@H](C)N(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001012616523 671465334 /nfs/dbraw/zinc/46/53/34/671465334.db2.gz KBAZYCXJWYHETL-WPRPVWTQSA-N -1 0 303.322 -0.238 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CC(=O)N(C2CC2)C1 ZINC000866914161 671466009 /nfs/dbraw/zinc/46/60/09/671466009.db2.gz BVCAAALNFWZAFB-ASCAZGACSA-N -1 0 309.413 -0.298 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC([N@@H+](C)[C@H](C)C(N)=O)CC2)c1[O-] ZINC000985382599 671469563 /nfs/dbraw/zinc/46/95/63/671469563.db2.gz CBQSSNSFHVAAIL-SECBINFHSA-N -1 0 309.370 -0.166 20 0 DBADRM Cn1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001029642664 671475469 /nfs/dbraw/zinc/47/54/69/671475469.db2.gz HXELIEWCJOMWIU-JTQLQIEISA-N -1 0 319.369 -0.162 20 0 DBADRM Cn1[nH]c(C[N@H+](C)C2CCN(C(=O)c3cnco3)CC2)nc1=O ZINC000985559974 671505286 /nfs/dbraw/zinc/50/52/86/671505286.db2.gz WBHUJGDMQQERIN-UHFFFAOYSA-N -1 0 320.353 -0.167 20 0 DBADRM C[C@@](O)(CNC(=O)CNC(=O)COc1ccccc1)C(=O)[O-] ZINC000262566054 671507201 /nfs/dbraw/zinc/50/72/01/671507201.db2.gz XUZTZUIZDSZDKG-CQSZACIVSA-N -1 0 310.306 -0.867 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1cnns1)c1n[nH]c(=O)[n-]c1=O ZINC001038464440 671514650 /nfs/dbraw/zinc/51/46/50/671514650.db2.gz CORGPOYGFCUQBI-ZCFIWIBFSA-N -1 0 323.338 -0.861 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000342461682 671537270 /nfs/dbraw/zinc/53/72/70/671537270.db2.gz AHXCKPGBHLEGMH-ZJUUUORDSA-N -1 0 302.352 -0.390 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000798199345 671538359 /nfs/dbraw/zinc/53/83/59/671538359.db2.gz CJRFJSKUIPEFNO-ZETCQYMHSA-N -1 0 302.308 -0.994 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NCc3nnnn3C)[C@@H]2C)c1[O-] ZINC000986161390 671568967 /nfs/dbraw/zinc/56/89/67/671568967.db2.gz PUMYCJKADKEJMS-IUCAKERBSA-N -1 0 320.357 -0.660 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)[C@@H]2C)c1[O-] ZINC000986160710 671569508 /nfs/dbraw/zinc/56/95/08/671569508.db2.gz OVIGBOVIKHIGPZ-JGVFFNPUSA-N -1 0 321.341 -0.360 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NCc3ncnn3C)[C@H]2C)c1[O-] ZINC000986163641 671569567 /nfs/dbraw/zinc/56/95/67/671569567.db2.gz XPOLXFUIANIKKQ-NXEZZACHSA-N -1 0 319.369 -0.055 20 0 DBADRM CCC(=O)N[C@H]1C[C@H](C)N(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001013144442 671595082 /nfs/dbraw/zinc/59/50/82/671595082.db2.gz ZFOGDADVNUREBF-IUCAKERBSA-N -1 0 323.353 -0.269 20 0 DBADRM CC(=O)N1CCC([C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000986701944 671614455 /nfs/dbraw/zinc/61/44/55/671614455.db2.gz CZRKPTOLMLNEIJ-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C2CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013420225 671618023 /nfs/dbraw/zinc/61/80/23/671618023.db2.gz BZQRAVVNCWFOLR-XPUUQOCRSA-N -1 0 307.310 -0.588 20 0 DBADRM CC(=O)N1CCCCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000986800188 671620577 /nfs/dbraw/zinc/62/05/77/671620577.db2.gz GIDGMSRMEWKGLG-VIFPVBQESA-N -1 0 309.326 -0.196 20 0 DBADRM CC(=O)N1CCCCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000986804396 671621935 /nfs/dbraw/zinc/62/19/35/671621935.db2.gz XSEOZZUOSYFRDT-JTQLQIEISA-N -1 0 311.342 -0.403 20 0 DBADRM CC(=O)N[C@@H](C)C1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000986935576 671626243 /nfs/dbraw/zinc/62/62/43/671626243.db2.gz ARJHHVZYFCVFAQ-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(C)C(=O)N[C@H]1C[C@H](C)N(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001013493782 671627910 /nfs/dbraw/zinc/62/79/10/671627910.db2.gz WRXKIMLKEDKGTA-IUCAKERBSA-N -1 0 311.342 -0.549 20 0 DBADRM CCC(=O)N[C@H]1C[C@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001013546445 671629128 /nfs/dbraw/zinc/62/91/28/671629128.db2.gz ARZIOOQESFNQDX-IUCAKERBSA-N -1 0 308.338 -0.385 20 0 DBADRM CNS(=O)(=O)c1ccc(NC(=O)NCCCC(=O)[O-])nc1 ZINC000263091946 671629137 /nfs/dbraw/zinc/62/91/37/671629137.db2.gz SQSNICGTUSUYMV-UHFFFAOYSA-N -1 0 316.339 -0.024 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccco1 ZINC000937616807 671664214 /nfs/dbraw/zinc/66/42/14/671664214.db2.gz NIPXDPYXWUQPAT-ZETCQYMHSA-N -1 0 319.277 -0.480 20 0 DBADRM COC(=O)[C@]12CN(C(=O)NCCC(=O)[O-])C[C@H]1COCC2 ZINC000263356142 671686473 /nfs/dbraw/zinc/68/64/73/671686473.db2.gz JCRXMSPPZTWQDE-TVQRCGJNSA-N -1 0 300.311 -0.318 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C(=O)C1CC1 ZINC000988161971 671751360 /nfs/dbraw/zinc/75/13/60/671751360.db2.gz PLNFSLJYXWUHPY-QMMMGPOBSA-N -1 0 321.337 -0.387 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C3=COCCO3)C2)c1[O-] ZINC000937636893 671789103 /nfs/dbraw/zinc/78/91/03/671789103.db2.gz GDCATZCURUXBLG-VIFPVBQESA-N -1 0 322.321 -0.357 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)Cn3cccn3)C2)c1[O-] ZINC000937679352 671803173 /nfs/dbraw/zinc/80/31/73/671803173.db2.gz ZDOJLKMTNOLLPT-JTQLQIEISA-N -1 0 318.337 -0.349 20 0 DBADRM COC[C@H](NC(=O)N1CCOC[C@@H]1C(=O)[O-])C1CCOCC1 ZINC000929046125 671810381 /nfs/dbraw/zinc/81/03/81/671810381.db2.gz VXCKHSRHYUBJCG-NWDGAFQWSA-N -1 0 316.354 -0.077 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NCc3cnn(C)n3)C[C@@H]2C)c1[O-] ZINC000988631912 671813816 /nfs/dbraw/zinc/81/38/16/671813816.db2.gz IMOGIUYJZDJHAD-WCBMZHEXSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C[C@H]2C)c1[O-] ZINC000988636961 671814665 /nfs/dbraw/zinc/81/46/65/671814665.db2.gz SSYOEQCGXMSUDV-SVRRBLITSA-N -1 0 321.341 -0.360 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NCc3nnnn3C)C[C@@H]2C)c1[O-] ZINC000988660486 671831794 /nfs/dbraw/zinc/83/17/94/671831794.db2.gz DLCHYAGLZCEOTP-IONNQARKSA-N -1 0 320.357 -0.660 20 0 DBADRM CC(=O)N[C@@]12CCC[C@H]1N(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC001014113615 671832173 /nfs/dbraw/zinc/83/21/73/671832173.db2.gz KVIZSZCUWRERML-AMIZOPFISA-N -1 0 307.310 -0.444 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](NC(=O)C2CC=CC2)C1 ZINC000937767055 671834674 /nfs/dbraw/zinc/83/46/74/671834674.db2.gz FHLMSLZBMDPVCC-JTQLQIEISA-N -1 0 321.337 -0.627 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3n[nH]nc3C)C2)c1[O-] ZINC000937829305 671839950 /nfs/dbraw/zinc/83/99/50/671839950.db2.gz OQHZJQBLXXVICR-QMMMGPOBSA-N -1 0 319.325 -0.505 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)Cn3nccn3)C2)c1[O-] ZINC000937834746 671840241 /nfs/dbraw/zinc/84/02/41/671840241.db2.gz CXDDMUOGKIRGAE-VIFPVBQESA-N -1 0 319.325 -0.954 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)c1[O-] ZINC000937835715 671840660 /nfs/dbraw/zinc/84/06/60/671840660.db2.gz VCGQJJCCEPYVSC-YHAQOWFVSA-N -1 0 320.349 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)c1[O-] ZINC000937834940 671840746 /nfs/dbraw/zinc/84/07/46/671840746.db2.gz GDMRLJHUPBGYGH-VIFPVBQESA-N -1 0 318.337 -0.280 20 0 DBADRM CC1(C)C[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000937845345 671840936 /nfs/dbraw/zinc/84/09/36/671840936.db2.gz UQVHMQJUDYPGEY-IUCAKERBSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3ncn(C)n3)C2)c1[O-] ZINC000937902174 671850439 /nfs/dbraw/zinc/85/04/39/671850439.db2.gz BYYVISPMZCKFBV-QMMMGPOBSA-N -1 0 319.325 -0.803 20 0 DBADRM CCC[C@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)c1nnn[n-]1 ZINC000343722066 671855146 /nfs/dbraw/zinc/85/51/46/671855146.db2.gz HBJFXWCRSDASSA-WPRPVWTQSA-N -1 0 318.341 -0.067 20 0 DBADRM C[C@H]1C[C@@H](NCc2cnon2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989114357 671879537 /nfs/dbraw/zinc/87/95/37/671879537.db2.gz XMKVQNAVMACXQN-NKWVEPMBSA-N -1 0 321.297 -0.941 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cn2ccnc2s1 ZINC000785884853 671996447 /nfs/dbraw/zinc/99/64/47/671996447.db2.gz GYYSLIPCSQUUJX-UHFFFAOYSA-N -1 0 316.364 -0.297 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C1CC1 ZINC000989199791 671997366 /nfs/dbraw/zinc/99/73/66/671997366.db2.gz YNIJMMJBIYATIM-APPZFPTMSA-N -1 0 309.326 -0.795 20 0 DBADRM CCn1ncc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001014355328 672476252 /nfs/dbraw/zinc/47/62/52/672476252.db2.gz IZVFECHSUYIDHI-QMMMGPOBSA-N -1 0 306.330 -0.874 20 0 DBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N(C)C(C)C)cn1 ZINC000729911663 672497528 /nfs/dbraw/zinc/49/75/28/672497528.db2.gz AMQRQFQNUUZYBC-UHFFFAOYSA-N -1 0 314.367 -0.244 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@H](C)Sc1nncn1C ZINC000729913014 672497889 /nfs/dbraw/zinc/49/78/89/672497889.db2.gz LOSHQDLOSUGCKI-QMMMGPOBSA-N -1 0 321.428 -0.003 20 0 DBADRM CS(=O)(=O)NCCOC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000738165077 672499250 /nfs/dbraw/zinc/49/92/50/672499250.db2.gz KRPWTOMIKDDWHS-UHFFFAOYSA-N -1 0 317.319 -0.144 20 0 DBADRM C[C@@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)c1ccnnc1 ZINC000989481040 672553915 /nfs/dbraw/zinc/55/39/15/672553915.db2.gz NFGLMWUWBGOZRR-PSASIEDQSA-N -1 0 303.326 -0.307 20 0 DBADRM O=C(NC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1)C(F)F ZINC000990026534 672628348 /nfs/dbraw/zinc/62/83/48/672628348.db2.gz HGUSGQOJHZDJPQ-UHFFFAOYSA-N -1 0 311.248 -0.772 20 0 DBADRM Cc1ccc(C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC000990156663 672662747 /nfs/dbraw/zinc/66/27/47/672662747.db2.gz YMNKUGJTQQZGOF-UHFFFAOYSA-N -1 0 319.277 -0.561 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]23CCC[C@H]2N(CC(N)=O)CC3)c1[O-] ZINC000990194121 672671904 /nfs/dbraw/zinc/67/19/04/672671904.db2.gz PMJOLYYHBCGREX-YMTOWFKASA-N -1 0 307.354 -0.364 20 0 DBADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC000154086966 677417673 /nfs/dbraw/zinc/41/76/73/677417673.db2.gz WDJXSFNMXDAZLI-VIFPVBQESA-N -1 0 304.372 -0.536 20 0 DBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)c2ccsc2)c1=O ZINC000154121156 677420133 /nfs/dbraw/zinc/42/01/33/677420133.db2.gz WKQCRLVDLGOLTQ-UHFFFAOYSA-N -1 0 302.337 -0.852 20 0 DBADRM CS(=O)(=O)CC(=O)OCC(=O)[N-]OCc1ccccc1 ZINC000920592745 677495481 /nfs/dbraw/zinc/49/54/81/677495481.db2.gz PGHJDGQRMBLNGT-UHFFFAOYSA-N -1 0 301.320 -0.178 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)C1 ZINC000764185759 677341137 /nfs/dbraw/zinc/34/11/37/677341137.db2.gz BJMLDAVJZYWBLR-ZJUUUORDSA-N -1 0 306.384 -0.274 20 0 DBADRM Cc1nc(CN2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)cs1 ZINC000731866875 677346836 /nfs/dbraw/zinc/34/68/36/677346836.db2.gz KHVYOWOPINWYKR-UHFFFAOYSA-N -1 0 307.379 -0.028 20 0 DBADRM Cc1noc(C)c1CN1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000731895641 677346838 /nfs/dbraw/zinc/34/68/38/677346838.db2.gz TZWBNVSEPUVJRQ-UHFFFAOYSA-N -1 0 305.338 -0.188 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000731880478 677346993 /nfs/dbraw/zinc/34/69/93/677346993.db2.gz NEMLJCVLKDBNGY-VIFPVBQESA-N -1 0 310.358 -0.348 20 0 DBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000731892831 677347035 /nfs/dbraw/zinc/34/70/35/677347035.db2.gz WOIFNXQILBMONK-UHFFFAOYSA-N -1 0 310.335 -0.249 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732090614 677350492 /nfs/dbraw/zinc/35/04/92/677350492.db2.gz YKIYAVASOXOGKK-DTWKUNHWSA-N -1 0 310.358 -0.350 20 0 DBADRM Cc1[nH]nc2ncc(C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)cc12 ZINC000732090039 677350557 /nfs/dbraw/zinc/35/05/57/677350557.db2.gz GQHUDXXZCQNNCE-SNVBAGLBSA-N -1 0 314.309 -0.007 20 0 DBADRM CN(C)c1ncccc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732089666 677350573 /nfs/dbraw/zinc/35/05/73/677350573.db2.gz ADGBIARARMKXEG-JTQLQIEISA-N -1 0 303.326 -0.126 20 0 DBADRM CC(C)(C)N1C[C@@H](C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CC1=O ZINC000732090979 677350786 /nfs/dbraw/zinc/35/07/86/677350786.db2.gz WUZWFIHHAPCXHF-VHSXEESVSA-N -1 0 322.369 -0.253 20 0 DBADRM CCN1CCN(CC(=O)OCc2n[n-]c(C)cc2=O)C(=O)C1=O ZINC000788042638 677351495 /nfs/dbraw/zinc/35/14/95/677351495.db2.gz JHXTWBNVAAVHNC-UHFFFAOYSA-N -1 0 322.321 -0.775 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000732158263 677351744 /nfs/dbraw/zinc/35/17/44/677351744.db2.gz WJFRJNCFVOINIO-LURJTMIESA-N -1 0 322.247 -0.021 20 0 DBADRM CC[C@H]1CCCN1C(=O)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031225162 677352106 /nfs/dbraw/zinc/35/21/06/677352106.db2.gz UNRPWXXDZFGOLG-JTQLQIEISA-N -1 0 322.369 -0.788 20 0 DBADRM O=C(CN1CCCN(C(=O)c2cc(=O)[nH][n-]2)CC1)N1CCCC1 ZINC000732267652 677352546 /nfs/dbraw/zinc/35/25/46/677352546.db2.gz OKCJPVNNGVVNJE-UHFFFAOYSA-N -1 0 321.381 -0.981 20 0 DBADRM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000732275749 677352908 /nfs/dbraw/zinc/35/29/08/677352908.db2.gz AVFFBZVZJNZXOD-MRVPVSSYSA-N -1 0 324.362 -0.352 20 0 DBADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CCCNC(=O)C1 ZINC000732283297 677352926 /nfs/dbraw/zinc/35/29/26/677352926.db2.gz VTUDNBKVDJDRTJ-UHFFFAOYSA-N -1 0 302.290 -0.008 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)COC(=O)c1cncc(O)c1 ZINC000732392082 677357293 /nfs/dbraw/zinc/35/72/93/677357293.db2.gz TYKFNYWDQDHGMM-QMMMGPOBSA-N -1 0 311.294 -0.195 20 0 DBADRM CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000732494316 677361654 /nfs/dbraw/zinc/36/16/54/677361654.db2.gz LHSWINUBOSOMFJ-UHFFFAOYSA-N -1 0 316.383 -0.223 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000732507725 677362042 /nfs/dbraw/zinc/36/20/42/677362042.db2.gz GIFFKWVZWFMCGO-UHFFFAOYSA-N -1 0 320.367 -0.602 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCc2n[nH]cc2C1 ZINC001031248761 677362433 /nfs/dbraw/zinc/36/24/33/677362433.db2.gz PZPOWLKHVXNAAM-QMMMGPOBSA-N -1 0 317.353 -0.661 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)cc1 ZINC000732510469 677362532 /nfs/dbraw/zinc/36/25/32/677362532.db2.gz ZEGGSJYERIKMEZ-UHFFFAOYSA-N -1 0 300.336 -0.118 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000732523810 677364121 /nfs/dbraw/zinc/36/41/21/677364121.db2.gz YDYUGSWETGYCOF-KWQFWETISA-N -1 0 322.408 -0.467 20 0 DBADRM CNC(=O)[C@H](C)N1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001031251545 677364853 /nfs/dbraw/zinc/36/48/53/677364853.db2.gz OOKXATTZEDQFSE-ZETCQYMHSA-N -1 0 319.321 -0.523 20 0 DBADRM CNC(=O)CN1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001031251573 677365009 /nfs/dbraw/zinc/36/50/09/677365009.db2.gz QDHZTEDOCFNNFA-UHFFFAOYSA-N -1 0 305.294 -0.912 20 0 DBADRM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2cc(=O)[nH][n-]2)C1 ZINC000732579275 677365817 /nfs/dbraw/zinc/36/58/17/677365817.db2.gz CWODWJDELNWWKY-SECBINFHSA-N -1 0 315.333 -0.644 20 0 DBADRM CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000732618361 677366149 /nfs/dbraw/zinc/36/61/49/677366149.db2.gz DNFPEAVCARBNKR-MRVPVSSYSA-N -1 0 300.336 -0.066 20 0 DBADRM Cc1ccc(-n2cc(C(=O)[N-]N3CC(=O)NC3=O)nn2)cc1 ZINC000032625795 677369488 /nfs/dbraw/zinc/36/94/88/677369488.db2.gz MCWKIIHIPSSAES-UHFFFAOYSA-N -1 0 300.278 -0.228 20 0 DBADRM O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1cc(=O)[nH][n-]1 ZINC000732835819 677374957 /nfs/dbraw/zinc/37/49/57/677374957.db2.gz QHFAYBCGCCRFJM-VIFPVBQESA-N -1 0 304.281 -0.077 20 0 DBADRM COc1c(C(=O)[N-]S(=O)(=O)N2CCCC2)c(C)nn1C ZINC000732902034 677376758 /nfs/dbraw/zinc/37/67/58/677376758.db2.gz CEXPGLOFLUPSJO-UHFFFAOYSA-N -1 0 302.356 -0.192 20 0 DBADRM C[C@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993999960 677397297 /nfs/dbraw/zinc/39/72/97/677397297.db2.gz XDWHLQWRFBMEJZ-IUCAKERBSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2nnc[nH]2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994017893 677398953 /nfs/dbraw/zinc/39/89/53/677398953.db2.gz HAHNMUIWIDBJCZ-JGVFFNPUSA-N -1 0 306.330 -0.589 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cnon2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994046528 677402248 /nfs/dbraw/zinc/40/22/48/677402248.db2.gz XWLJUAOXEUSNOV-JGVFFNPUSA-N -1 0 307.314 -0.324 20 0 DBADRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000733059314 677412950 /nfs/dbraw/zinc/41/29/50/677412950.db2.gz AGEAUWWXITXWGH-UHFFFAOYSA-N -1 0 317.367 -0.018 20 0 DBADRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)n1 ZINC000916185556 677415278 /nfs/dbraw/zinc/41/52/78/677415278.db2.gz FGTNIBPHZAJSKI-UHFFFAOYSA-N -1 0 322.346 -0.054 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C[C@@H]2CCCCO2)C1 ZINC001031314580 677415459 /nfs/dbraw/zinc/41/54/59/677415459.db2.gz ACTWPSKCNJXRCW-JTQLQIEISA-N -1 0 311.342 -0.941 20 0 DBADRM C[C@@H]1[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCCN1CCF ZINC000994293341 677421381 /nfs/dbraw/zinc/42/13/81/677421381.db2.gz AQBQCQUTXGGBLR-RKDXNWHRSA-N -1 0 301.322 -0.372 20 0 DBADRM C[C@H]1[C@@H](NC(=O)Cn2cncn2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994360343 677422693 /nfs/dbraw/zinc/42/26/93/677422693.db2.gz AIAHHZKMTQFDDQ-UWVGGRQHSA-N -1 0 320.357 -0.729 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cccs2)c(=O)[nH]c1=O ZINC000916755847 677424374 /nfs/dbraw/zinc/42/43/74/677424374.db2.gz RMGBKKFXWADORT-UHFFFAOYSA-N -1 0 315.332 -0.334 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cn2ccnc2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994506580 677435953 /nfs/dbraw/zinc/43/59/53/677435953.db2.gz LCZURJMFXHUHDS-WDEREUQCSA-N -1 0 319.369 -0.124 20 0 DBADRM CC(=O)N1CCC(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001031368575 677436815 /nfs/dbraw/zinc/43/68/15/677436815.db2.gz VAZXZKBZUOBDHQ-UHFFFAOYSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@H](C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CCC1 ZINC000994518649 677439323 /nfs/dbraw/zinc/43/93/23/677439323.db2.gz ROUKPWUFLRLPNB-QMMMGPOBSA-N -1 0 323.353 -0.548 20 0 DBADRM CN(C)c1ccc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)nc1 ZINC001031454311 677453416 /nfs/dbraw/zinc/45/34/16/677453416.db2.gz XSUBEKPXLCLGFF-UHFFFAOYSA-N -1 0 317.353 -0.415 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCCCC2)CC1=O ZINC000919672707 677478968 /nfs/dbraw/zinc/47/89/68/677478968.db2.gz ZLSCJNJOQPBPOJ-JTQLQIEISA-N -1 0 303.384 -0.298 20 0 DBADRM CCn1cc(CN2CC(CNC(=O)c3[nH]nc(C)c3[O-])C2)nn1 ZINC001031616567 677481161 /nfs/dbraw/zinc/48/11/61/677481161.db2.gz ZPIQYXQJOQWKSA-UHFFFAOYSA-N -1 0 319.369 -0.103 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)cc1 ZINC000920103439 677490157 /nfs/dbraw/zinc/49/01/57/677490157.db2.gz YZMAMRQGODDKQK-UHFFFAOYSA-N -1 0 307.349 -0.455 20 0 DBADRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)c1 ZINC000920101167 677490183 /nfs/dbraw/zinc/49/01/83/677490183.db2.gz LQOGWZILBFMROK-UHFFFAOYSA-N -1 0 319.360 -0.261 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)CC1CCOCC1 ZINC000921379614 677503147 /nfs/dbraw/zinc/50/31/47/677503147.db2.gz IHBMYPIQGYVEHY-NSHDSACASA-N -1 0 309.384 -0.090 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC000994722604 677506017 /nfs/dbraw/zinc/50/60/17/677506017.db2.gz YFBBARSFOFYBRP-MWLCHTKSSA-N -1 0 319.369 -0.068 20 0 DBADRM CCC1(C(=O)N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000938349053 677515893 /nfs/dbraw/zinc/51/58/93/677515893.db2.gz QMRWLWXBFMACHQ-QMMMGPOBSA-N -1 0 321.337 -0.196 20 0 DBADRM CC(C)(F)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938348534 677516052 /nfs/dbraw/zinc/51/60/52/677516052.db2.gz AJSOTQQUFRPMLJ-LURJTMIESA-N -1 0 313.289 -0.638 20 0 DBADRM CC1(CC(=O)N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000938349264 677516064 /nfs/dbraw/zinc/51/60/64/677516064.db2.gz CJBSZRLACVBQOK-QMMMGPOBSA-N -1 0 321.337 -0.196 20 0 DBADRM CC(F)(F)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938349352 677516126 /nfs/dbraw/zinc/51/61/26/677516126.db2.gz GKODIEDDFZHCGS-YFKPBYRVSA-N -1 0 317.252 -0.731 20 0 DBADRM CC1CC(C(=O)N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000938388103 677519993 /nfs/dbraw/zinc/51/99/93/677519993.db2.gz AILJSIZLGDQSMY-RTBKNWGFSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)(F)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938388946 677520160 /nfs/dbraw/zinc/52/01/60/677520160.db2.gz NXZGISNDXBNDJX-ZETCQYMHSA-N -1 0 315.305 -0.846 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)c2ccco2)C1 ZINC000938388955 677520171 /nfs/dbraw/zinc/52/01/71/677520171.db2.gz OKPKKSSDRSVYOF-QMMMGPOBSA-N -1 0 321.293 -0.687 20 0 DBADRM CC(C)=CC(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938389933 677520181 /nfs/dbraw/zinc/52/01/81/677520181.db2.gz ZEMULGRNUICCJR-VIFPVBQESA-N -1 0 309.326 -0.627 20 0 DBADRM CC(=O)N(C)[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000938530417 677534673 /nfs/dbraw/zinc/53/46/73/677534673.db2.gz OGZIODZLUKFCLL-SNVBAGLBSA-N -1 0 303.322 -0.285 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001031744568 677544923 /nfs/dbraw/zinc/54/49/23/677544923.db2.gz JJVBRELWRJNPFV-NXEZZACHSA-N -1 0 317.353 -0.415 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(C(=O)C2(C)CC2)C1 ZINC000938651418 677546725 /nfs/dbraw/zinc/54/67/25/677546725.db2.gz ZYAOAOHFHWHXFR-SECBINFHSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938944745 677564213 /nfs/dbraw/zinc/56/42/13/677564213.db2.gz VJUKKESBDLMBDV-CIUDSAMLSA-N -1 0 321.337 -0.388 20 0 DBADRM Cc1noc(C(=O)NCC2CN(Cc3nc(=O)n(C)[nH]3)C2)c1C ZINC001031756814 677564676 /nfs/dbraw/zinc/56/46/76/677564676.db2.gz UTUIXJJIWIKSIQ-UHFFFAOYSA-N -1 0 320.353 -0.425 20 0 DBADRM CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938987764 677566747 /nfs/dbraw/zinc/56/67/47/677566747.db2.gz RAQMOTOGDAUKJS-JTQLQIEISA-N -1 0 323.353 -0.451 20 0 DBADRM Cn1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)ccc1=O ZINC001031810358 677591793 /nfs/dbraw/zinc/59/17/93/677591793.db2.gz GPTDVSHNSBNBNJ-UHFFFAOYSA-N -1 0 318.337 -0.929 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCCO3)C2)c1[O-] ZINC000939288460 677592697 /nfs/dbraw/zinc/59/26/97/677592697.db2.gz IHCUOCAPVNVJRX-NXEZZACHSA-N -1 0 308.338 -0.067 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H]1[NH2+]CCF ZINC000939334294 677596143 /nfs/dbraw/zinc/59/61/43/677596143.db2.gz MRUKBGYDHDEBLM-MWLCHTKSSA-N -1 0 322.344 -0.523 20 0 DBADRM O=C(NCC1CN(Cc2cncs2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001031815662 677597665 /nfs/dbraw/zinc/59/76/65/677597665.db2.gz DQRVKQUAXZLRSA-UHFFFAOYSA-N -1 0 322.350 -0.399 20 0 DBADRM CC1CC(C(=O)N[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000939955034 677641475 /nfs/dbraw/zinc/64/14/75/677641475.db2.gz MAXXLWMWHFYSIK-UDNWOFFPSA-N -1 0 323.353 -0.548 20 0 DBADRM CC[C@@H]1OCC[C@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031866854 677645888 /nfs/dbraw/zinc/64/58/88/677645888.db2.gz VSZFNUTYGFFYAW-MNOVXSKESA-N -1 0 309.370 -0.127 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000940056985 677646044 /nfs/dbraw/zinc/64/60/44/677646044.db2.gz UQVHMQJUDYPGEY-RKDXNWHRSA-N -1 0 323.353 -0.548 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000940056228 677646154 /nfs/dbraw/zinc/64/61/54/677646154.db2.gz JGAKYQAVVPPXTR-HTQZYQBOSA-N -1 0 321.337 -0.340 20 0 DBADRM CC1(C(=O)N[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000940909597 677726718 /nfs/dbraw/zinc/72/67/18/677726718.db2.gz ZKMJUWBPESTOQT-MRVPVSSYSA-N -1 0 309.326 -0.794 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cnon1 ZINC000941112884 677756833 /nfs/dbraw/zinc/75/68/33/677756833.db2.gz IPYVIPAUVWVYEM-SECBINFHSA-N -1 0 321.341 -0.076 20 0 DBADRM CC(C)CC(=O)N1CCN(C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000941283582 677772582 /nfs/dbraw/zinc/77/25/82/677772582.db2.gz BRIDREWDNUBEJE-UHFFFAOYSA-N -1 0 322.413 -0.115 20 0 DBADRM COCc1nocc1C(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000941446124 677805504 /nfs/dbraw/zinc/80/55/04/677805504.db2.gz DJBSHZJPLJIEDS-MRVPVSSYSA-N -1 0 320.309 -0.416 20 0 DBADRM COc1cnc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)nc1 ZINC000941446342 677805849 /nfs/dbraw/zinc/80/58/49/677805849.db2.gz NDDUIXHSKLUOET-MRVPVSSYSA-N -1 0 317.309 -0.752 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)C1=COCCO1 ZINC000941763918 677846533 /nfs/dbraw/zinc/84/65/33/677846533.db2.gz HZMDVNXNVOSEHJ-UWVGGRQHSA-N -1 0 323.353 -0.275 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)C1=COCCO1 ZINC000941763925 677846653 /nfs/dbraw/zinc/84/66/53/677846653.db2.gz HZMDVNXNVOSEHJ-ZJUUUORDSA-N -1 0 323.353 -0.275 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941788596 677848660 /nfs/dbraw/zinc/84/86/60/677848660.db2.gz GHUJEHSCAUUIAA-LSFDQVSLSA-N -1 0 307.310 -0.420 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000941789501 677848795 /nfs/dbraw/zinc/84/87/95/677848795.db2.gz ZOYACDJCHWZLOZ-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941791725 677852200 /nfs/dbraw/zinc/85/22/00/677852200.db2.gz CSRJSQKJIOFJFP-RNJXMRFFSA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@H](CC(=O)N1CC(NC(=O)c2cn[nH]n2)C1)n1cccn1 ZINC000995177979 677853237 /nfs/dbraw/zinc/85/32/37/677853237.db2.gz TUPZCSSOVXTCIA-SECBINFHSA-N -1 0 303.326 -0.407 20 0 DBADRM COc1cc(C)cnc1C(=O)N1CC(NC(=O)c2cn[nH]n2)C1 ZINC000995177663 677853513 /nfs/dbraw/zinc/85/35/13/677853513.db2.gz BIYBKYYRUHHEBN-UHFFFAOYSA-N -1 0 316.321 -0.229 20 0 DBADRM CC(C)=CC(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000941934941 677862904 /nfs/dbraw/zinc/86/29/04/677862904.db2.gz ZEMULGRNUICCJR-SECBINFHSA-N -1 0 309.326 -0.627 20 0 DBADRM CCC1(C(=O)N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000941937034 677863479 /nfs/dbraw/zinc/86/34/79/677863479.db2.gz OANAVGFOOIPOBY-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000941937552 677863557 /nfs/dbraw/zinc/86/35/57/677863557.db2.gz YKYBIBVCLNPYPJ-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)C2CCC2)C1 ZINC000941933864 677864850 /nfs/dbraw/zinc/86/48/50/677864850.db2.gz FKUJHISJVPNAMR-SECBINFHSA-N -1 0 309.326 -0.794 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000941981161 677869093 /nfs/dbraw/zinc/86/90/93/677869093.db2.gz VVXTWDQSKMAYBW-SECBINFHSA-N -1 0 308.338 -0.527 20 0 DBADRM CC(C)CC(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000941983128 677869248 /nfs/dbraw/zinc/86/92/48/677869248.db2.gz ZTJZAXXICXVVQG-SNVBAGLBSA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cnnn1C ZINC000942013491 677874789 /nfs/dbraw/zinc/87/47/89/677874789.db2.gz NHUQKPOGVZCDLU-DTWKUNHWSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cn(C)nn1 ZINC000942021100 677876082 /nfs/dbraw/zinc/87/60/82/677876082.db2.gz QQRDWSVAVHXAQV-BDAKNGLRSA-N -1 0 320.357 -0.721 20 0 DBADRM CC1(C(=O)N[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CCC1 ZINC000942025939 677877056 /nfs/dbraw/zinc/87/70/56/677877056.db2.gz YAIHVANJUMMYHN-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM Cn1[nH]c(CN2CC(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nc1=O ZINC001031992512 677880790 /nfs/dbraw/zinc/88/07/90/677880790.db2.gz COMMHNWECKDMDM-UTUOFQBUSA-N -1 0 321.381 -0.776 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)Cn1nccn1 ZINC000942085890 677882347 /nfs/dbraw/zinc/88/23/47/677882347.db2.gz FEGRTTCQYHWZTK-ZJUUUORDSA-N -1 0 320.357 -0.871 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)Cc3cnoc3)C2)c1[O-] ZINC000942236548 677899821 /nfs/dbraw/zinc/89/98/21/677899821.db2.gz HBUVUFULVZFJSS-SNVBAGLBSA-N -1 0 319.321 -0.015 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cncn1C ZINC000942303074 677911997 /nfs/dbraw/zinc/91/19/97/677911997.db2.gz KNVTXDRBSMBHGZ-VHSXEESVSA-N -1 0 319.369 -0.116 20 0 DBADRM Cn1c(=O)ccn(CC(=O)[N-]OCc2ccc(F)cc2)c1=O ZINC000184261815 677947893 /nfs/dbraw/zinc/94/78/93/677947893.db2.gz CGZKVEIRPGRTPR-UHFFFAOYSA-N -1 0 307.281 -0.066 20 0 DBADRM CCN(C(=O)C1CC1)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000942632819 677953105 /nfs/dbraw/zinc/95/31/05/677953105.db2.gz XDDPRNWGAOGKCC-SECBINFHSA-N -1 0 321.337 -0.244 20 0 DBADRM CCN(C(C)=O)[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000942621698 677953935 /nfs/dbraw/zinc/95/39/35/677953935.db2.gz MWGHBBACFQLYBN-JTQLQIEISA-N -1 0 308.338 -0.431 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000942882823 677967559 /nfs/dbraw/zinc/96/75/59/677967559.db2.gz QFFYPKGLFYKRLP-SECBINFHSA-N -1 0 321.337 -0.244 20 0 DBADRM CCN(C(=O)c1cnc([O-])n(C)c1=O)[C@@H]1CCN(C(C)=O)C1 ZINC000942897361 677968405 /nfs/dbraw/zinc/96/84/05/677968405.db2.gz LKTQBXCNTVOJRG-SNVBAGLBSA-N -1 0 308.338 -0.431 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCCCN(C(=O)C2CC2)C1 ZINC000943406884 677991415 /nfs/dbraw/zinc/99/14/15/677991415.db2.gz BIFRZBOQPYELPA-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@H]1C[C@@H](C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)CCO1 ZINC001032078417 677992151 /nfs/dbraw/zinc/99/21/51/677992151.db2.gz TVNLSMWRVJLRFQ-ONGXEEELSA-N -1 0 309.370 -0.127 20 0 DBADRM O=C(NC1CCN(C(=O)C2CCOCC2)CC1)c1cn[nH]n1 ZINC000943388278 677992306 /nfs/dbraw/zinc/99/23/06/677992306.db2.gz KUIBXAWNVAPWJE-UHFFFAOYSA-N -1 0 307.354 -0.048 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCC[C@@H](NC(=O)C(N)=O)C2)c1[O-] ZINC000943498300 678002033 /nfs/dbraw/zinc/00/20/33/678002033.db2.gz QZSHCPDNJZMNGZ-MRVPVSSYSA-N -1 0 309.326 -0.980 20 0 DBADRM Cc1cccc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)c1 ZINC000184852217 678002834 /nfs/dbraw/zinc/00/28/34/678002834.db2.gz LTYLBWJFDXAALL-UHFFFAOYSA-N -1 0 310.335 -0.605 20 0 DBADRM O=C(N[C@H]1CC[C@H](NC(=O)C2CC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC000943588217 678005184 /nfs/dbraw/zinc/00/51/84/678005184.db2.gz MZIRIDCHNNCQLI-KYZUINATSA-N -1 0 321.337 -0.150 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000330363037 678010199 /nfs/dbraw/zinc/01/01/99/678010199.db2.gz UDEWXQDTWDIDKS-GFCCVEGCSA-N -1 0 304.306 -0.147 20 0 DBADRM CC(=O)N1CCC[C@@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC000943802241 678019550 /nfs/dbraw/zinc/01/95/50/678019550.db2.gz FOKJJGYBSRFAPO-SNVBAGLBSA-N -1 0 303.322 -0.237 20 0 DBADRM O=C(CC1CC1)N1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943812221 678021184 /nfs/dbraw/zinc/02/11/84/678021184.db2.gz XZNPKDXOQYPCFZ-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000943826258 678022375 /nfs/dbraw/zinc/02/23/75/678022375.db2.gz MSHFGMPHSSKGPY-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2C(=O)CC(N)=O)c1[O-] ZINC000943919983 678032244 /nfs/dbraw/zinc/03/22/44/678032244.db2.gz NWEFYWZRHKAHMD-MRVPVSSYSA-N -1 0 309.326 -0.980 20 0 DBADRM COCc1nocc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032122650 678033779 /nfs/dbraw/zinc/03/37/79/678033779.db2.gz ZJQCMFPCPKUCIL-UHFFFAOYSA-N -1 0 322.325 -0.494 20 0 DBADRM C/C=C(/C)C(=O)N1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943944111 678036638 /nfs/dbraw/zinc/03/66/38/678036638.db2.gz PDQIAIPLQJTACY-PTDYZRSTSA-N -1 0 321.337 -0.030 20 0 DBADRM CCc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001032135699 678043857 /nfs/dbraw/zinc/04/38/57/678043857.db2.gz IGTFJASTKICDON-UHFFFAOYSA-N -1 0 306.326 -0.078 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H]1CNC(=O)C1CC1 ZINC000944174081 678060486 /nfs/dbraw/zinc/06/04/86/678060486.db2.gz JSEOSZKHBVJWTP-SECBINFHSA-N -1 0 309.326 -0.794 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H]1CNC(=O)C1CCC1 ZINC000944174926 678061434 /nfs/dbraw/zinc/06/14/34/678061434.db2.gz RIBYPYMNOMNBLF-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1c(C(=O)N2CCC(NC(=O)c3cn[nH]n3)CC2)cnn1C ZINC000944247380 678066827 /nfs/dbraw/zinc/06/68/27/678066827.db2.gz BYZBUYAZZAPFPM-UHFFFAOYSA-N -1 0 317.353 -0.119 20 0 DBADRM CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[n-]n2c1nccc2=O ZINC000995561536 678112207 /nfs/dbraw/zinc/11/22/07/678112207.db2.gz MPGGGHFASMORRV-USWWRNFRSA-N -1 0 315.333 -0.096 20 0 DBADRM CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc([O-])n(C)c1=O ZINC000995568534 678116764 /nfs/dbraw/zinc/11/67/64/678116764.db2.gz LZFJZHVVIGOAEM-MIMYLULJSA-N -1 0 306.322 -0.633 20 0 DBADRM COC(=O)[C@H](CNC(=O)c1cc(=O)[nH][n-]1)Cc1ccc(O)cc1 ZINC000733362571 678119909 /nfs/dbraw/zinc/11/99/09/678119909.db2.gz RHAKIANUYZCMKB-JTQLQIEISA-N -1 0 319.317 -0.284 20 0 DBADRM CCC(=O)N1CCC2(CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000944802975 678130993 /nfs/dbraw/zinc/13/09/93/678130993.db2.gz WANRDPCCCUXKBN-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](C)C1 ZINC000945076609 678141282 /nfs/dbraw/zinc/14/12/82/678141282.db2.gz QRFIRSKYEUMDIS-GZMMTYOYSA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000945083799 678141758 /nfs/dbraw/zinc/14/17/58/678141758.db2.gz OCAZTMBHPRRLFD-APPZFPTMSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnns2)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000945197399 678145053 /nfs/dbraw/zinc/14/50/53/678145053.db2.gz PUYGRCPNEKIYBW-SFYZADRCSA-N -1 0 321.366 -0.063 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2nccn2)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000945341401 678150632 /nfs/dbraw/zinc/15/06/32/678150632.db2.gz NMKPJRRRHCFCJE-NXEZZACHSA-N -1 0 318.341 -0.937 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC000945397412 678153113 /nfs/dbraw/zinc/15/31/13/678153113.db2.gz ILHMZFYJEAINQL-WPRPVWTQSA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@@H]1NC(=O)C1CC1 ZINC000945431518 678155000 /nfs/dbraw/zinc/15/50/00/678155000.db2.gz NGAJNUXQSUPPOW-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C ZINC000945416369 678155145 /nfs/dbraw/zinc/15/51/45/678155145.db2.gz YIDSIGMGGBCILD-SCZZXKLOSA-N -1 0 318.337 -0.596 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC000945433602 678155459 /nfs/dbraw/zinc/15/54/59/678155459.db2.gz FWQUSDKHWNRPBL-KOLCDFICSA-N -1 0 322.365 -0.137 20 0 DBADRM O=C(c1ccc(=O)[nH]n1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032264880 678163530 /nfs/dbraw/zinc/16/35/30/678163530.db2.gz XTZJCIZBQAJOHK-YUMQZZPRSA-N -1 0 317.309 -0.895 20 0 DBADRM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)no1 ZINC001032268516 678167540 /nfs/dbraw/zinc/16/75/40/678167540.db2.gz GEYJDPNODHFFFV-IUCAKERBSA-N -1 0 304.310 -0.094 20 0 DBADRM CC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000945658462 678168879 /nfs/dbraw/zinc/16/88/79/678168879.db2.gz XNBOUIAXUVZEKS-IONNQARKSA-N -1 0 309.326 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)C(N)=O)C2)c1[O-] ZINC000945671893 678170514 /nfs/dbraw/zinc/17/05/14/678170514.db2.gz WKOOSCLYAUPTDS-APPZFPTMSA-N -1 0 323.353 -0.734 20 0 DBADRM CC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000945694131 678171723 /nfs/dbraw/zinc/17/17/23/678171723.db2.gz GHBXBJPPEQBVOS-JOYOIKCWSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000945816956 678179687 /nfs/dbraw/zinc/17/96/87/678179687.db2.gz XQFUGQNSJVRRGR-PWSUYJOCSA-N -1 0 320.349 -0.431 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000945941485 678186594 /nfs/dbraw/zinc/18/65/94/678186594.db2.gz DWASBSMVKFPRDX-VXNVDRBHSA-N -1 0 321.341 -0.158 20 0 DBADRM CCC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000946055836 678197537 /nfs/dbraw/zinc/19/75/37/678197537.db2.gz FNSPUNYTOSRXDQ-YUMQZZPRSA-N -1 0 309.326 -0.293 20 0 DBADRM O=C(NC[C@@H]1CCC[C@H]1NC(=O)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC000946085175 678198622 /nfs/dbraw/zinc/19/86/22/678198622.db2.gz QPMDAUGTGFMMIC-DTWKUNHWSA-N -1 0 321.337 -0.293 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000946136383 678205594 /nfs/dbraw/zinc/20/55/94/678205594.db2.gz WRLNDBBINQSJRE-DTWKUNHWSA-N -1 0 323.353 -0.047 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)CCC1 ZINC000733689770 678250666 /nfs/dbraw/zinc/25/06/66/678250666.db2.gz BYXJNJBTPQJIKE-SNVBAGLBSA-N -1 0 318.395 -0.082 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000733704076 678254059 /nfs/dbraw/zinc/25/40/59/678254059.db2.gz LMLVPIAVGNPZHH-JTQLQIEISA-N -1 0 324.424 -0.344 20 0 DBADRM O=C([N-]S(=O)(=O)CC1CC1)[C@@]12CCC(=O)N1CCS2 ZINC000733703696 678254314 /nfs/dbraw/zinc/25/43/14/678254314.db2.gz SYRPZZKGYHVTRJ-NSHDSACASA-N -1 0 304.393 -0.092 20 0 DBADRM O=C(c1cnns1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032299417 678255290 /nfs/dbraw/zinc/25/52/90/678255290.db2.gz JASXLRYDJYEFJL-BQBZGAKWSA-N -1 0 307.339 -0.539 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733719396 678255774 /nfs/dbraw/zinc/25/57/74/678255774.db2.gz GHLJZQDIGVOTHG-DTWKUNHWSA-N -1 0 306.384 -0.228 20 0 DBADRM Cc1csc(=O)n1CCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733719308 678255720 /nfs/dbraw/zinc/25/57/20/678255720.db2.gz LKYQCJIJRXRGRN-SECBINFHSA-N -1 0 320.392 -0.157 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733720961 678255802 /nfs/dbraw/zinc/25/58/02/678255802.db2.gz FIYFYIWQVKOHEL-PSASIEDQSA-N -1 0 316.335 -0.367 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1cccc(-n2cnnn2)c1 ZINC000733719374 678255959 /nfs/dbraw/zinc/25/59/59/678255959.db2.gz FYKSMQGBMCZTQX-NSHDSACASA-N -1 0 323.334 -0.489 20 0 DBADRM CCC(CC)S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000733712752 678255977 /nfs/dbraw/zinc/25/59/77/678255977.db2.gz IVYIPRSJGLLZDK-UHFFFAOYSA-N -1 0 300.402 -0.488 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)C1CCCC1 ZINC000733721677 678256480 /nfs/dbraw/zinc/25/64/80/678256480.db2.gz CNZHOLAVBNTLPA-NWDGAFQWSA-N -1 0 318.395 -0.084 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cnc(OC)nc1 ZINC000734087927 678272678 /nfs/dbraw/zinc/27/26/78/678272678.db2.gz JPEYEEIWYGVEOJ-UHFFFAOYSA-N -1 0 317.323 -0.502 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1=O ZINC000734109296 678274071 /nfs/dbraw/zinc/27/40/71/678274071.db2.gz PHTGODYNWVFGCU-SNVBAGLBSA-N -1 0 318.337 -0.803 20 0 DBADRM O=C(NC1CN(C(=O)C2CCCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996734284 678290177 /nfs/dbraw/zinc/29/01/77/678290177.db2.gz GQMSAHPKLVHWPA-UHFFFAOYSA-N -1 0 307.310 -0.586 20 0 DBADRM CC(C)=C(F)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996734468 678290309 /nfs/dbraw/zinc/29/03/09/678290309.db2.gz HNVGJSNUNUBFNZ-UHFFFAOYSA-N -1 0 311.273 -0.513 20 0 DBADRM CC(C)[C@H](C)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996742920 678290777 /nfs/dbraw/zinc/29/07/77/678290777.db2.gz FIFROZOQWGMUBY-ZETCQYMHSA-N -1 0 309.326 -0.485 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000996745354 678290781 /nfs/dbraw/zinc/29/07/81/678290781.db2.gz NPLBBTHEQXSFJQ-JGVFFNPUSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(C)[C@@H](C)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996742912 678290799 /nfs/dbraw/zinc/29/07/99/678290799.db2.gz FIFROZOQWGMUBY-SSDOTTSWSA-N -1 0 309.326 -0.485 20 0 DBADRM O=C(CCC1CC1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996742956 678291082 /nfs/dbraw/zinc/29/10/82/678291082.db2.gz FKUQHMATCHLYTL-UHFFFAOYSA-N -1 0 307.310 -0.586 20 0 DBADRM Cc1c[nH]cc1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996753840 678291380 /nfs/dbraw/zinc/29/13/80/678291380.db2.gz KGBJYOCGCKJBNO-UHFFFAOYSA-N -1 0 318.293 -0.826 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3ccnnc3C)C2)c1[O-] ZINC000996752448 678293313 /nfs/dbraw/zinc/29/33/13/678293313.db2.gz GASNOVODMGLLNM-UHFFFAOYSA-N -1 0 316.321 -0.223 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccccn1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000734964981 678306454 /nfs/dbraw/zinc/30/64/54/678306454.db2.gz DYKYZGBPNIWMDI-SECBINFHSA-N -1 0 309.347 -0.103 20 0 DBADRM Cc1ncoc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032337589 678320672 /nfs/dbraw/zinc/32/06/72/678320672.db2.gz JJQXMFPAUAZYIN-IUCAKERBSA-N -1 0 304.310 -0.094 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccccc2)c(=O)n(C)c1=O ZINC000735203217 678322543 /nfs/dbraw/zinc/32/25/43/678322543.db2.gz NWYOFRUOUMGQFM-UHFFFAOYSA-N -1 0 323.330 -0.797 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@@H]2CCNC2=O)c1[O-] ZINC001032356550 678342417 /nfs/dbraw/zinc/34/24/17/678342417.db2.gz VLQNZAFTAGWYIV-LPEHRKFASA-N -1 0 305.338 -0.789 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032356307 678343240 /nfs/dbraw/zinc/34/32/40/678343240.db2.gz RNUNZTXIFJUXPG-GUBZILKMSA-N -1 0 321.337 -0.751 20 0 DBADRM O=C(c1ncccn1)N1CCC([NH2+]Cc2n[nH]c(=O)[n-]2)CC1 ZINC000997106201 678379648 /nfs/dbraw/zinc/37/96/48/678379648.db2.gz DZNMVXRMHQJYBZ-UHFFFAOYSA-N -1 0 303.326 -0.305 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000888321088 678393634 /nfs/dbraw/zinc/39/36/34/678393634.db2.gz HXHKLDVSDBZQKN-VIFPVBQESA-N -1 0 310.362 -0.666 20 0 DBADRM CCC[C@H](NC(=O)CS(=O)(=O)CCOC)c1nnn[n-]1 ZINC000736430550 678397171 /nfs/dbraw/zinc/39/71/71/678397171.db2.gz VWHFWRDLMBWVGI-QMMMGPOBSA-N -1 0 305.360 -0.782 20 0 DBADRM C[C@@H](NC(=O)c1ccco1)C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000736661222 678415461 /nfs/dbraw/zinc/41/54/61/678415461.db2.gz TUTSISQLFPWSDH-ZCFIWIBFSA-N -1 0 307.266 -0.218 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000997235180 678420246 /nfs/dbraw/zinc/42/02/46/678420246.db2.gz BILVTIDKBFDPIZ-UHFFFAOYSA-N -1 0 318.337 -0.361 20 0 DBADRM CC(F)(F)CC(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997257561 678422827 /nfs/dbraw/zinc/42/28/27/678422827.db2.gz FPSVNNRNVLJPRW-UHFFFAOYSA-N -1 0 319.268 -0.938 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)C2CC3(CC3)C2)C1 ZINC000997258951 678423409 /nfs/dbraw/zinc/42/34/09/678423409.db2.gz XZJWSBXADNCZDW-UHFFFAOYSA-N -1 0 321.337 -0.794 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)C2=CCCC2)C1 ZINC000997259257 678423765 /nfs/dbraw/zinc/42/37/65/678423765.db2.gz AQVOOOASLYLNKA-UHFFFAOYSA-N -1 0 307.310 -0.873 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000997263010 678424195 /nfs/dbraw/zinc/42/41/95/678424195.db2.gz DVEWKHFHPAXCMB-JZYVYDRUSA-N -1 0 321.337 -0.938 20 0 DBADRM CC(C)=CC(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997357258 678434109 /nfs/dbraw/zinc/43/41/09/678434109.db2.gz DVJQLFQIACFRJE-UHFFFAOYSA-N -1 0 306.322 -0.607 20 0 DBADRM CC[C@@H](C)C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997357940 678434494 /nfs/dbraw/zinc/43/44/94/678434494.db2.gz KPVHPYPOZLULDA-MRVPVSSYSA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997363054 678435409 /nfs/dbraw/zinc/43/54/09/678435409.db2.gz YHUJHAQTQZUIKJ-RKDXNWHRSA-N -1 0 320.349 -0.527 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCCN(CC(F)F)CC1 ZINC000888331920 678464482 /nfs/dbraw/zinc/46/44/82/678464482.db2.gz YTQHKOJFHNSVMN-UHFFFAOYSA-N -1 0 303.317 -0.080 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000888332876 678464491 /nfs/dbraw/zinc/46/44/91/678464491.db2.gz MGOVFCLTKAGFRU-VXGBXAGGSA-N -1 0 323.401 -0.120 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000888332875 678464665 /nfs/dbraw/zinc/46/46/65/678464665.db2.gz MGOVFCLTKAGFRU-RYUDHWBXSA-N -1 0 323.401 -0.120 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000888338009 678466145 /nfs/dbraw/zinc/46/61/45/678466145.db2.gz KYBIWJKVWXUGSH-JTQLQIEISA-N -1 0 307.358 -0.266 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000888337873 678466362 /nfs/dbraw/zinc/46/63/62/678466362.db2.gz JQJIHOSUYJATMS-LLVKDONJSA-N -1 0 321.385 -0.019 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCC[C@H]1CNC(=O)C1CC1 ZINC000946256615 678485588 /nfs/dbraw/zinc/48/55/88/678485588.db2.gz DKJWMWFRPYYDNZ-VHSXEESVSA-N -1 0 323.353 -0.500 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCC[C@H]1CNC(=O)C1CC1 ZINC000946256613 678485845 /nfs/dbraw/zinc/48/58/45/678485845.db2.gz DKJWMWFRPYYDNZ-UWVGGRQHSA-N -1 0 323.353 -0.500 20 0 DBADRM O=C(N[C@@H]1CCC[C@H]1CNC(=O)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC000946262919 678492059 /nfs/dbraw/zinc/49/20/59/678492059.db2.gz KLDKBOAKUBMMIH-DTWKUNHWSA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(CCn1ccnc1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032550686 678510900 /nfs/dbraw/zinc/51/09/00/678510900.db2.gz CDEVMYUDGXDCNL-QWRGUYRKSA-N -1 0 317.353 -0.418 20 0 DBADRM CCOc1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)on1 ZINC001038525068 678529833 /nfs/dbraw/zinc/52/98/33/678529833.db2.gz KXTCXBPRSQJMQV-MRVPVSSYSA-N -1 0 322.325 -0.099 20 0 DBADRM CC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000946409543 678531126 /nfs/dbraw/zinc/53/11/26/678531126.db2.gz ITNKZYUZFBESGQ-PWSUYJOCSA-N -1 0 322.365 -0.089 20 0 DBADRM O=C(c1cnn2c1CCC2)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948649356 678567923 /nfs/dbraw/zinc/56/79/23/678567923.db2.gz LVVYGGCFFADOSE-UHFFFAOYSA-N -1 0 317.353 -0.389 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](NCc3cn(C)nn3)C2)c1[O-] ZINC000998953700 678660692 /nfs/dbraw/zinc/66/06/92/678660692.db2.gz KKIPXKUNDQROMM-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](NCc3ncnn3C)C2)c1[O-] ZINC000998957301 678661272 /nfs/dbraw/zinc/66/12/72/678661272.db2.gz XYJRVDODFITILF-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000999080652 678670380 /nfs/dbraw/zinc/67/03/80/678670380.db2.gz VJVGYACTFUIXBR-IUCAKERBSA-N -1 0 320.349 -0.527 20 0 DBADRM CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C2 ZINC000999099616 678673329 /nfs/dbraw/zinc/67/33/29/678673329.db2.gz PBVHFMWDWRYJFB-MIMYLULJSA-N -1 0 306.322 -0.633 20 0 DBADRM CC(=O)N(C)C1CC(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001016135445 678676454 /nfs/dbraw/zinc/67/64/54/678676454.db2.gz IVZAUWHRKHQMLX-UHFFFAOYSA-N -1 0 304.310 -0.843 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1C[C@@H]2C[C@H]1CN2CCF ZINC001032689270 678694370 /nfs/dbraw/zinc/69/43/70/678694370.db2.gz UXMRMEMXAWYBIQ-UWVGGRQHSA-N -1 0 320.328 -0.674 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000999245726 678695275 /nfs/dbraw/zinc/69/52/75/678695275.db2.gz HAUCUENOVIHTHP-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cc(F)c(OC)c(F)c1 ZINC000921687416 678751170 /nfs/dbraw/zinc/75/11/70/678751170.db2.gz FKODHHYZIHTHAL-UHFFFAOYSA-N -1 0 310.278 -0.071 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)C[C@@H](OC)c1ccccc1 ZINC000921687940 678772332 /nfs/dbraw/zinc/77/23/32/678772332.db2.gz NEFYZWUWNWCMCS-LLVKDONJSA-N -1 0 302.352 -0.029 20 0 DBADRM CC[C@H](F)CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001032755750 678816597 /nfs/dbraw/zinc/81/65/97/678816597.db2.gz KTWWKUSYPHCDEQ-GUBZILKMSA-N -1 0 313.333 -0.278 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)COC)C1 ZINC000772978731 678816985 /nfs/dbraw/zinc/81/69/85/678816985.db2.gz LZEIHWPDGUVXRC-UWVGGRQHSA-N -1 0 306.384 -0.274 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)COC)C1 ZINC000772978732 678817175 /nfs/dbraw/zinc/81/71/75/678817175.db2.gz LZEIHWPDGUVXRC-VHSXEESVSA-N -1 0 306.384 -0.274 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001000293427 678832045 /nfs/dbraw/zinc/83/20/45/678832045.db2.gz UXZILRYQZYHJRJ-VXNVDRBHSA-N -1 0 309.326 -0.938 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCCO1 ZINC001000414134 678839509 /nfs/dbraw/zinc/83/95/09/678839509.db2.gz XMRYHQCDIKBFTM-LLVKDONJSA-N -1 0 307.354 -0.062 20 0 DBADRM O=C(c1cccnn1)N1CCC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001000517167 678849561 /nfs/dbraw/zinc/84/95/61/678849561.db2.gz NYEGTZFIBNXGAF-SECBINFHSA-N -1 0 303.326 -0.305 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(CNC(=O)c2ccco2)C1 ZINC001000671649 678864931 /nfs/dbraw/zinc/86/49/31/678864931.db2.gz FOWOYNWHQNOTSU-UHFFFAOYSA-N -1 0 321.293 -0.829 20 0 DBADRM O=C(Cc1ccc[nH]1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032795056 678867892 /nfs/dbraw/zinc/86/78/92/678867892.db2.gz GIOVEQYUHLBSRL-QWRGUYRKSA-N -1 0 302.338 -0.134 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)[C@H]3CCCO3)C2)c1[O-] ZINC001000811308 678873875 /nfs/dbraw/zinc/87/38/75/678873875.db2.gz ZQOXCKBJZHXJKK-SNVBAGLBSA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)[C@H]3CCOC3)C2)c1[O-] ZINC001001113778 678905959 /nfs/dbraw/zinc/90/59/59/678905959.db2.gz NQJJRALGHGJIQV-JTQLQIEISA-N -1 0 308.338 -0.352 20 0 DBADRM CC1CC(C(=O)NCC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC001001382373 678930165 /nfs/dbraw/zinc/93/01/65/678930165.db2.gz MCHLFUOJQWBUEZ-UHFFFAOYSA-N -1 0 321.337 -0.483 20 0 DBADRM CC(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001001404737 678930954 /nfs/dbraw/zinc/93/09/54/678930954.db2.gz TWVMONHUFLRFTP-BBBLOLIVSA-N -1 0 323.353 -0.407 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3cocn3)C2)c1[O-] ZINC001001457330 678933301 /nfs/dbraw/zinc/93/33/01/678933301.db2.gz XSPDDSTVWNFSRB-UHFFFAOYSA-N -1 0 305.294 -0.086 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)[C@H](O)C(C)C)C2)c1[O-] ZINC001001457520 678933565 /nfs/dbraw/zinc/93/35/65/678933565.db2.gz ZKZQFKTUXCZBSD-LLVKDONJSA-N -1 0 310.354 -0.371 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3cnco3)C2)c1[O-] ZINC001001452606 678936415 /nfs/dbraw/zinc/93/64/15/678936415.db2.gz PEZGLHSJNXGBJK-UHFFFAOYSA-N -1 0 305.294 -0.086 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)Cc3ccon3)C2)c1[O-] ZINC001001452415 678936489 /nfs/dbraw/zinc/93/64/89/678936489.db2.gz HHBSIHGUJFIVJX-UHFFFAOYSA-N -1 0 319.321 -0.157 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3ncn(C)n3)C2)c1[O-] ZINC001001716298 678951059 /nfs/dbraw/zinc/95/10/59/678951059.db2.gz MMEIIYCEKHDBSW-UHFFFAOYSA-N -1 0 319.325 -0.946 20 0 DBADRM CC(=O)N1CC[C@@]2(CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000953017348 678963422 /nfs/dbraw/zinc/96/34/22/678963422.db2.gz HXMNEVYAHGLCCN-CYBMUJFWSA-N -1 0 307.310 -0.633 20 0 DBADRM CCC(=O)N1CCC[C@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001001967005 678963473 /nfs/dbraw/zinc/96/34/73/678963473.db2.gz BQGWIBQUQQQFRR-QMMMGPOBSA-N -1 0 309.326 -0.244 20 0 DBADRM O=C(Cn1cccn1)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002347546 678977888 /nfs/dbraw/zinc/97/78/88/678977888.db2.gz CZJWZIPGZNJNAB-UHFFFAOYSA-N -1 0 305.342 -0.512 20 0 DBADRM Cc1cc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1C ZINC001002424795 678981361 /nfs/dbraw/zinc/98/13/61/678981361.db2.gz DIDQKFUDTXDQFF-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM COC(=O)[C@H]1C[C@H]1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002463777 678985054 /nfs/dbraw/zinc/98/50/54/678985054.db2.gz YDHXLPOHBYEASL-ZJUUUORDSA-N -1 0 323.353 -0.600 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002608828 678991053 /nfs/dbraw/zinc/99/10/53/678991053.db2.gz KHKFWVLZCDESJM-VIFPVBQESA-N -1 0 323.353 -0.456 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCN(Cc3nnnn3C)CC2)c1[O-] ZINC001002609022 678991080 /nfs/dbraw/zinc/99/10/80/678991080.db2.gz WCGTVGGVTSLHQN-UHFFFAOYSA-N -1 0 320.357 -0.658 20 0 DBADRM Cn1nccc1CC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002695691 678996110 /nfs/dbraw/zinc/99/61/10/678996110.db2.gz RXLFUDDTLVOGCR-UHFFFAOYSA-N -1 0 319.369 -0.433 20 0 DBADRM CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[n-]n3c1nccc3=O)C2 ZINC001002752092 678999653 /nfs/dbraw/zinc/99/96/53/678999653.db2.gz HAZMDCBWWKTKNH-JLLWLGSASA-N -1 0 315.333 -0.096 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)c1nnn[n-]1 ZINC000358384904 679007029 /nfs/dbraw/zinc/00/70/29/679007029.db2.gz UVMDPQOLIVRNTH-IUCAKERBSA-N -1 0 318.341 -0.462 20 0 DBADRM Cc1ncn(C)c1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003083675 679021798 /nfs/dbraw/zinc/02/17/98/679021798.db2.gz IZJBRBJBFNKODK-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@@]1(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CNC(=O)C1 ZINC001003368356 679035841 /nfs/dbraw/zinc/03/58/41/679035841.db2.gz OWBINUFZWWQPEQ-AWEZNQCLSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3cnco3)C2)c1[O-] ZINC001003373750 679036303 /nfs/dbraw/zinc/03/63/03/679036303.db2.gz XPHNRRKWROJISM-UHFFFAOYSA-N -1 0 305.294 -0.086 20 0 DBADRM O=C(NCC1CN(C(=O)C2CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001003394649 679037526 /nfs/dbraw/zinc/03/75/26/679037526.db2.gz YEUBWSATPAQYOH-UHFFFAOYSA-N -1 0 307.310 -0.729 20 0 DBADRM CC[C@H](F)C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003391389 679037642 /nfs/dbraw/zinc/03/76/42/679037642.db2.gz LQTXLFDBNPYRJD-ZETCQYMHSA-N -1 0 313.289 -0.781 20 0 DBADRM C/C=C(\C)C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003394721 679037981 /nfs/dbraw/zinc/03/79/81/679037981.db2.gz ZCCFZXLRBFYRHB-XVNBXDOJSA-N -1 0 307.310 -0.563 20 0 DBADRM O=C(/C=C/C1CC1)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003392703 679038009 /nfs/dbraw/zinc/03/80/09/679038009.db2.gz DJZPHIJFKHGZOJ-ONEGZZNKSA-N -1 0 319.321 -0.563 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@]1(F)CCOC1 ZINC001003491827 679043924 /nfs/dbraw/zinc/04/39/24/679043924.db2.gz HKVJNXVDBDQTHO-ZDUSSCGKSA-N -1 0 313.333 -0.281 20 0 DBADRM C[C@]1(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCNC1=O ZINC001003617308 679054321 /nfs/dbraw/zinc/05/43/21/679054321.db2.gz XFONRVYRWBNHOD-AWEZNQCLSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1[O-] ZINC001003726225 679062545 /nfs/dbraw/zinc/06/25/45/679062545.db2.gz OIZOMFBJYRYVFC-URLYPYJESA-N -1 0 320.349 -0.496 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001014663023 679065236 /nfs/dbraw/zinc/06/52/36/679065236.db2.gz RFAJMRQXZOZFNJ-WPRPVWTQSA-N -1 0 323.353 -0.269 20 0 DBADRM CCn1cc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC001003865235 679078565 /nfs/dbraw/zinc/07/85/65/679078565.db2.gz WAGJRZQSDOADGT-UHFFFAOYSA-N -1 0 320.357 -0.484 20 0 DBADRM CN(C(=O)Cc1cnn(C)c1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032946861 679085074 /nfs/dbraw/zinc/08/50/74/679085074.db2.gz NCWKDIUARLLIQZ-NSHDSACASA-N -1 0 319.369 -0.481 20 0 DBADRM CN(C(=O)Cc1cc[nH]n1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032970082 679089871 /nfs/dbraw/zinc/08/98/71/679089871.db2.gz KKZAEALBTGAZOL-SNVBAGLBSA-N -1 0 305.342 -0.491 20 0 DBADRM CN(C(=O)c1cccc(=O)[nH]1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032974929 679091347 /nfs/dbraw/zinc/09/13/47/679091347.db2.gz ILMWNDUVNMVWLV-VIFPVBQESA-N -1 0 318.337 -0.043 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(Cc3nnn(C)n3)C2)c1[O-] ZINC001033008707 679097979 /nfs/dbraw/zinc/09/79/79/679097979.db2.gz IGBCTRQRLSQWMW-VIFPVBQESA-N -1 0 320.357 -0.706 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN([C@@H]3CCNC3=O)C2)c1[O-] ZINC001033008421 679098069 /nfs/dbraw/zinc/09/80/69/679098069.db2.gz FXXODKWVJGOEQG-VHSXEESVSA-N -1 0 307.354 -0.541 20 0 DBADRM CC[C@H](C(N)=O)N1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001033017292 679099096 /nfs/dbraw/zinc/09/90/96/679099096.db2.gz UYVNVINNLDZNLH-NXEZZACHSA-N -1 0 309.370 -0.166 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(Cc3nncn3C)C2)c1[O-] ZINC001033010019 679099311 /nfs/dbraw/zinc/09/93/11/679099311.db2.gz PKFZDCLZQLKTGP-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C(=O)C[C@H]1COC(=O)C1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033009837 679099328 /nfs/dbraw/zinc/09/93/28/679099328.db2.gz JNIXDQZLHNEWAO-NXEZZACHSA-N -1 0 323.353 -0.504 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN([C@@H]3CCN(C)C3=O)C2)c1[O-] ZINC001033013494 679099700 /nfs/dbraw/zinc/09/97/00/679099700.db2.gz FVFNXKPWAQCSBJ-WDEREUQCSA-N -1 0 321.381 -0.199 20 0 DBADRM Cc1nccn1CC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001004153119 679109296 /nfs/dbraw/zinc/10/92/96/679109296.db2.gz WGSSKVYQWVHSTE-UHFFFAOYSA-N -1 0 319.369 -0.204 20 0 DBADRM Cn1ccc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001004149486 679110238 /nfs/dbraw/zinc/11/02/38/679110238.db2.gz IWVXPXBJUMGSGC-UHFFFAOYSA-N -1 0 305.342 -0.362 20 0 DBADRM O=C(Cn1ccnc1)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001004256949 679119052 /nfs/dbraw/zinc/11/90/52/679119052.db2.gz GZXUJMMRIKJMQY-UHFFFAOYSA-N -1 0 305.342 -0.512 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@@]2(C)CCNC2=O)c1[O-] ZINC001295653519 805580897 /nfs/dbraw/zinc/58/08/97/805580897.db2.gz ORXDSIKCUGADCC-UOWDBTKRSA-N -1 0 323.353 -0.816 20 0 DBADRM C[C@H](Sc1nc(CC(=O)[N-]OCC(N)=O)cs1)C(N)=O ZINC001295746007 805589317 /nfs/dbraw/zinc/58/93/17/805589317.db2.gz PWDZSXHACVSIBU-YFKPBYRVSA-N -1 0 318.380 -0.815 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCc2ccccc2O1 ZINC000842304010 805589328 /nfs/dbraw/zinc/58/93/28/805589328.db2.gz COFWVXOCQGRQFK-NSHDSACASA-N -1 0 313.331 -0.001 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1nc2c(s1)CCC2 ZINC000842304525 805589392 /nfs/dbraw/zinc/58/93/92/805589392.db2.gz ZJGWOCPMVUSWDU-UHFFFAOYSA-N -1 0 304.349 -0.136 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cc(C(=O)OC)ccn1 ZINC000842305250 805589920 /nfs/dbraw/zinc/58/99/20/805589920.db2.gz ULSZVZPWTCUXMV-UHFFFAOYSA-N -1 0 316.335 -0.036 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CCC(=O)OC ZINC000842358891 805592675 /nfs/dbraw/zinc/59/26/75/805592675.db2.gz XTOBBHUTJVXQRC-KWQFWETISA-N -1 0 322.383 -0.454 20 0 DBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H](C)C(=O)[O-])CC1 ZINC000842523833 805593315 /nfs/dbraw/zinc/59/33/15/805593315.db2.gz ZZGSSHYIJNURJR-JTQLQIEISA-N -1 0 321.399 -0.562 20 0 DBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)c3cnn(C)c3)(C1)C2 ZINC000842677114 805595598 /nfs/dbraw/zinc/59/55/98/805595598.db2.gz AONMTZSMXJKXSK-UHFFFAOYSA-N -1 0 313.335 -0.432 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000842715958 805598501 /nfs/dbraw/zinc/59/85/01/805598501.db2.gz JEOXISLYFGHPIL-SECBINFHSA-N -1 0 323.367 -0.420 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(OC)ccn1 ZINC000842754868 805599091 /nfs/dbraw/zinc/59/90/91/805599091.db2.gz AOHNBCQLLBYACK-ZETCQYMHSA-N -1 0 302.308 -0.289 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cc(OC)ccn1 ZINC000842750292 805599425 /nfs/dbraw/zinc/59/94/25/805599425.db2.gz ZFSUKWHFGMTICB-UHFFFAOYSA-N -1 0 302.308 -0.287 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cc(OC)ccn1 ZINC000842740546 805599530 /nfs/dbraw/zinc/59/95/30/805599530.db2.gz TWRCPIZBHJQKFF-UHFFFAOYSA-N -1 0 318.351 -0.187 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc[n+]([O-])cc1 ZINC000842763821 805600392 /nfs/dbraw/zinc/60/03/92/805600392.db2.gz CSELTCVKJLRSFU-DTWKUNHWSA-N -1 0 316.335 -0.423 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000843257831 805613207 /nfs/dbraw/zinc/61/32/07/805613207.db2.gz WNSPKVKECNKEOG-VHSXEESVSA-N -1 0 313.354 -0.660 20 0 DBADRM CC[C@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCS(C)(=O)=O ZINC000843296793 805616878 /nfs/dbraw/zinc/61/68/78/805616878.db2.gz CAEMEXZICSNXTM-DTWKUNHWSA-N -1 0 313.397 -0.312 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)COCC(=O)[O-])C2=O)n(C)n1 ZINC000843329587 805617924 /nfs/dbraw/zinc/61/79/24/805617924.db2.gz JBPDMKBHRBAYPV-VIFPVBQESA-N -1 0 310.310 -0.949 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)COCC(=O)[O-])C2=O)n(C)n1 ZINC000843329586 805617969 /nfs/dbraw/zinc/61/79/69/805617969.db2.gz JBPDMKBHRBAYPV-SECBINFHSA-N -1 0 310.310 -0.949 20 0 DBADRM O=C([O-])COCC(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000843329758 805618115 /nfs/dbraw/zinc/61/81/15/805618115.db2.gz SQOPTFWEUXEZAU-UHFFFAOYSA-N -1 0 307.306 -0.533 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000843339224 805619411 /nfs/dbraw/zinc/61/94/11/805619411.db2.gz YLLONICPYMFVCJ-UWVGGRQHSA-N -1 0 312.351 -0.417 20 0 DBADRM O=C(Cc1cnn2ccccc12)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000843790481 805635056 /nfs/dbraw/zinc/63/50/56/805635056.db2.gz FEECOKSHORSJBG-LBPRGKRZSA-N -1 0 313.321 -0.010 20 0 DBADRM Cn1cc([C@H](O)C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC000843879151 805637381 /nfs/dbraw/zinc/63/73/81/805637381.db2.gz UTQRQZZHPUULNN-WPRPVWTQSA-N -1 0 306.326 -0.317 20 0 DBADRM Cn1cc([C@H](O)C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC000843879148 805638225 /nfs/dbraw/zinc/63/82/25/805638225.db2.gz UTQRQZZHPUULNN-SCZZXKLOSA-N -1 0 306.326 -0.317 20 0 DBADRM O=C(NC[C@H]1CS(=O)(=O)c2ccccc2O1)c1cc(=O)[nH][n-]1 ZINC000843946585 805639344 /nfs/dbraw/zinc/63/93/44/805639344.db2.gz ICXPOTDAQYKIET-QMMMGPOBSA-N -1 0 323.330 -0.787 20 0 DBADRM CC[C@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)OC ZINC000844025033 805642703 /nfs/dbraw/zinc/64/27/03/805642703.db2.gz GYGZPJYAHJYPFB-MRVPVSSYSA-N -1 0 307.310 -0.613 20 0 DBADRM CS(=O)(=O)CCCCCNC(=O)CCCc1nnn[n-]1 ZINC001296709227 805648675 /nfs/dbraw/zinc/64/86/75/805648675.db2.gz VGQOTOTYQCLSOL-UHFFFAOYSA-N -1 0 303.388 -0.147 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC[C@H]1C(=O)[O-] ZINC000844155079 805649986 /nfs/dbraw/zinc/64/99/86/805649986.db2.gz HSVNTGWUUMJNJY-BBBLOLIVSA-N -1 0 304.368 -0.411 20 0 DBADRM CC[C@H](CNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000844157505 805650049 /nfs/dbraw/zinc/65/00/49/805650049.db2.gz CRLRWLOKOXFSHN-SSJHQANKSA-N -1 0 309.322 -0.676 20 0 DBADRM CN(C(=O)COCC(=O)[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000844243295 805654243 /nfs/dbraw/zinc/65/42/43/805654243.db2.gz VLGYYYJCTKALDL-UWVGGRQHSA-N -1 0 307.368 -0.098 20 0 DBADRM NS(=O)(=O)c1ccc2c(c1)N(C(=O)COCC(=O)[O-])CC2 ZINC000844242561 805654285 /nfs/dbraw/zinc/65/42/85/805654285.db2.gz FMLSPYBQBPDWOQ-UHFFFAOYSA-N -1 0 314.319 -0.676 20 0 DBADRM O=C([O-])COCC(=O)NC[C@@H](O)COc1ccc(F)cc1 ZINC000844247430 805654979 /nfs/dbraw/zinc/65/49/79/805654979.db2.gz KQUJBRYTJLEUIV-SNVBAGLBSA-N -1 0 301.270 -0.217 20 0 DBADRM O=C([O-])COCC(=O)NCc1cccnc1N1CCOCC1 ZINC000844251736 805655154 /nfs/dbraw/zinc/65/51/54/805655154.db2.gz CBRKIQVJDWVQCV-UHFFFAOYSA-N -1 0 309.322 -0.364 20 0 DBADRM O=C([O-])COCC(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000844251810 805655459 /nfs/dbraw/zinc/65/54/59/805655459.db2.gz GMOBNEPDUOBKNU-UHFFFAOYSA-N -1 0 307.306 -0.338 20 0 DBADRM CN(C(=O)COCC(=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000844246969 805655494 /nfs/dbraw/zinc/65/54/94/805655494.db2.gz DALHNCPLYPWYFT-SSDOTTSWSA-N -1 0 312.244 -0.291 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1nn(C)cc1C(=O)OCC ZINC000844604716 805665161 /nfs/dbraw/zinc/66/51/61/805665161.db2.gz NMSXNCUTEVJQJN-UHFFFAOYSA-N -1 0 313.314 -0.214 20 0 DBADRM O=C(c1cccn2nnnc12)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001297019963 805661842 /nfs/dbraw/zinc/66/18/42/805661842.db2.gz WKIRAXZYMORBDC-QMMMGPOBSA-N -1 0 314.309 -0.032 20 0 DBADRM COC(=O)CCSCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001296999200 805658750 /nfs/dbraw/zinc/65/87/50/805658750.db2.gz QHSUGXMQDRQTIQ-UHFFFAOYSA-N -1 0 304.328 -0.898 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1ncn(CC(=O)OCC)n1 ZINC000844712877 805668368 /nfs/dbraw/zinc/66/83/68/805668368.db2.gz NFUNIEPVMTVAHM-UHFFFAOYSA-N -1 0 314.302 -0.970 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c(Cl)n1 ZINC000844783598 805671485 /nfs/dbraw/zinc/67/14/85/805671485.db2.gz GUVNPKJHADCPBJ-LURJTMIESA-N -1 0 321.742 -0.350 20 0 DBADRM COC1(C(=O)[O-])CCN(S(=O)(=O)c2c(C)onc2N)CC1 ZINC000844798615 805671766 /nfs/dbraw/zinc/67/17/66/805671766.db2.gz KCBRANMMXXBROF-UHFFFAOYSA-N -1 0 319.339 -0.180 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000844787877 805672230 /nfs/dbraw/zinc/67/22/30/805672230.db2.gz WYODPJKOVGYYPE-LSJOCFKGSA-N -1 0 307.368 -0.037 20 0 DBADRM COc1ccc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)cn1 ZINC000844797827 805672245 /nfs/dbraw/zinc/67/22/45/805672245.db2.gz CLYXNMHITSUFDL-NSHDSACASA-N -1 0 302.308 -0.700 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1 ZINC000844802731 805673188 /nfs/dbraw/zinc/67/31/88/805673188.db2.gz YYEJISVMWZDJCQ-ZCFIWIBFSA-N -1 0 310.282 -0.454 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H](Cc2ccncn2)C(=O)[O-])CC1 ZINC000844806899 805673530 /nfs/dbraw/zinc/67/35/30/805673530.db2.gz XZFMJWDFDRBRLU-JTQLQIEISA-N -1 0 315.351 -0.429 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c[nH]1 ZINC000844899318 805674147 /nfs/dbraw/zinc/67/41/47/805674147.db2.gz AXWDMSOIILHVGE-FHHFXDHISA-N -1 0 304.349 -0.393 20 0 DBADRM C[S@](=O)CCNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000844886971 805674806 /nfs/dbraw/zinc/67/48/06/805674806.db2.gz YJGBDCNXUJNRJA-SFHVURJKSA-N -1 0 305.377 -0.030 20 0 DBADRM Cc1nonc1CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000845264764 805694502 /nfs/dbraw/zinc/69/45/02/805694502.db2.gz QXOYBDSFFJXEKC-UHFFFAOYSA-N -1 0 318.340 -0.218 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)CC(=O)NC ZINC001297385284 805703018 /nfs/dbraw/zinc/70/30/18/805703018.db2.gz COIVUKDQSLWVQL-QMMMGPOBSA-N -1 0 311.342 -0.816 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)CC(=O)NC ZINC001297385283 805703200 /nfs/dbraw/zinc/70/32/00/805703200.db2.gz COIVUKDQSLWVQL-MRVPVSSYSA-N -1 0 311.342 -0.816 20 0 DBADRM NC(=O)c1ncn(CC(=O)[N-]S(=O)(=O)C2CCCCC2)n1 ZINC000845454045 805705366 /nfs/dbraw/zinc/70/53/66/805705366.db2.gz BBJBXJUSAXYCQZ-UHFFFAOYSA-N -1 0 315.355 -0.844 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C[C@@H](OC)C(F)(F)F ZINC000845486152 805705906 /nfs/dbraw/zinc/70/59/06/805705906.db2.gz YCTWIJPONBCOON-SSDOTTSWSA-N -1 0 322.305 -0.107 20 0 DBADRM O=C(Cc1cn2c(n1)CCCC2)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000845471945 805706306 /nfs/dbraw/zinc/70/63/06/805706306.db2.gz ZRMMODYXVGFHMT-LLVKDONJSA-N -1 0 313.379 -0.003 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(CCOC(C)C)CC1 ZINC000845544118 805712797 /nfs/dbraw/zinc/71/27/97/805712797.db2.gz ORJTXLKHQJOPQB-UHFFFAOYSA-N -1 0 316.402 -0.194 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCC[C@@H]1COC(=O)NC ZINC000845532718 805709392 /nfs/dbraw/zinc/70/93/92/805709392.db2.gz NVCHZELCWVBBOK-SNVBAGLBSA-N -1 0 316.358 -0.026 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C[C@@H]1CCC(=O)N1)C(C)C ZINC000845535625 805710551 /nfs/dbraw/zinc/71/05/51/805710551.db2.gz VSXAQRDKPLELTB-JTQLQIEISA-N -1 0 300.359 -0.247 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[S@](=O)C(C)(C)CC1 ZINC000845535952 805710746 /nfs/dbraw/zinc/71/07/46/805710746.db2.gz YYQBGRKMAUMFKN-FQEVSTJZSA-N -1 0 305.400 -0.003 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@]1(CO)C[C@H](OCC)C1(C)C ZINC000845536494 805710761 /nfs/dbraw/zinc/71/07/61/805710761.db2.gz AJXNCFXOQGMFEL-IINYFYTJSA-N -1 0 317.386 -0.081 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC1CCC(NC(C)=O)CC1 ZINC000845534122 805710874 /nfs/dbraw/zinc/71/08/74/805710874.db2.gz YWYCBYGGTYEZDS-UHFFFAOYSA-N -1 0 300.359 -0.199 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000845534978 805711036 /nfs/dbraw/zinc/71/10/36/805711036.db2.gz KDVVAWBIWFQEAB-SNVBAGLBSA-N -1 0 308.342 -0.260 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000845535867 805711125 /nfs/dbraw/zinc/71/11/25/805711125.db2.gz UMRKWUDBMXVGMU-NWDGAFQWSA-N -1 0 314.386 -0.441 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000845536423 805711260 /nfs/dbraw/zinc/71/12/60/805711260.db2.gz ZIBAIWUFNLOYKQ-GHMZBOCLSA-N -1 0 301.343 -0.357 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCOC[C@H]1OCCOC ZINC000845537534 805712099 /nfs/dbraw/zinc/71/20/99/805712099.db2.gz KGPQCUBMJBBEPR-WDEREUQCSA-N -1 0 319.358 -0.826 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCOC[C@@H]1c1ccnn1C ZINC000845537165 805712148 /nfs/dbraw/zinc/71/21/48/805712148.db2.gz SUKVMWNJEIYYEK-LLVKDONJSA-N -1 0 311.342 -0.429 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@H](C)S(=O)(=O)CC1 ZINC000845536883 805712280 /nfs/dbraw/zinc/71/22/80/805712280.db2.gz AHIZMHBHSRFVOI-VIFPVBQESA-N -1 0 307.372 -0.727 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@]1(O)C[C@@H](OCC)C1(C)C ZINC000845537948 805712383 /nfs/dbraw/zinc/71/23/83/805712383.db2.gz JGBAWKXOCKNNQD-QMTHXVAHSA-N -1 0 317.386 -0.081 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC([C@H](O)C(=O)OC)CC1 ZINC000845542530 805713237 /nfs/dbraw/zinc/71/32/37/805713237.db2.gz TWOQLDRTCUMVRD-NSHDSACASA-N -1 0 317.342 -0.990 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(OCCCO)CC1 ZINC000845543948 805713283 /nfs/dbraw/zinc/71/32/83/805713283.db2.gz MLXJDMRLRVCRAK-UHFFFAOYSA-N -1 0 303.359 -0.373 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(c2ccnc(C)n2)CC1 ZINC000845540334 805713447 /nfs/dbraw/zinc/71/34/47/805713447.db2.gz MVVUQXLQJBXKJZ-UHFFFAOYSA-N -1 0 322.369 -0.316 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(OCCOC)CC1 ZINC000845545140 805713465 /nfs/dbraw/zinc/71/34/65/805713465.db2.gz FECPMVWSTSLVGI-UHFFFAOYSA-N -1 0 303.359 -0.109 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)[C@@H](C)CS(=O)(=O)CC ZINC000845546977 805714364 /nfs/dbraw/zinc/71/43/64/805714364.db2.gz ZTWQZISITXTORS-VIFPVBQESA-N -1 0 309.388 -0.481 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCCOC[C@H]1CCOC1 ZINC000845546585 805714532 /nfs/dbraw/zinc/71/45/32/805714532.db2.gz LYUCXDJVJPDSTI-LLVKDONJSA-N -1 0 303.359 -0.204 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCCN1CCCCC1=O ZINC000845546814 805714610 /nfs/dbraw/zinc/71/46/10/805714610.db2.gz DFDRGPZWCYBIDC-UHFFFAOYSA-N -1 0 300.359 -0.244 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000845552636 805715364 /nfs/dbraw/zinc/71/53/64/805715364.db2.gz LPAQUOQJKWEEMG-NSHDSACASA-N -1 0 322.369 -0.188 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@H](O)COc1ccccc1 ZINC000845553321 805715410 /nfs/dbraw/zinc/71/54/10/805715410.db2.gz RSIXPHURZRPAPX-NSHDSACASA-N -1 0 311.338 -0.207 20 0 DBADRM CC(C)=CC(=O)N1CCC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001297646654 805720149 /nfs/dbraw/zinc/72/01/49/805720149.db2.gz CRFQMQVDOYGATE-SNVBAGLBSA-N -1 0 323.353 -0.237 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000846003486 805739822 /nfs/dbraw/zinc/73/98/22/805739822.db2.gz CSDSBQLOMQRUKW-UHFFFAOYSA-N -1 0 302.308 -0.239 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC ZINC000846003336 805739928 /nfs/dbraw/zinc/73/99/28/805739928.db2.gz WGTWTAJRWOJSPU-NXEZZACHSA-N -1 0 322.383 -0.295 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cnc2onc(C)c2c1 ZINC000846002290 805739986 /nfs/dbraw/zinc/73/99/86/805739986.db2.gz MJMZENVDALIXQP-UHFFFAOYSA-N -1 0 314.323 -0.123 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cn2c(n1)CCCC2 ZINC000846003719 805740068 /nfs/dbraw/zinc/74/00/68/805740068.db2.gz LOQSIEJVCNRHSJ-UHFFFAOYSA-N -1 0 302.356 -0.435 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000846002602 805740291 /nfs/dbraw/zinc/74/02/91/805740291.db2.gz QVFSBOCDUIFNJO-UHFFFAOYSA-N -1 0 300.336 -0.033 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1c(C)nn(COC)c1C ZINC000846002108 805740343 /nfs/dbraw/zinc/74/03/43/805740343.db2.gz CBAPXCKAHRHFDA-UHFFFAOYSA-N -1 0 320.371 -0.550 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)[C@@H]2CCNC2=O)c1[O-] ZINC001298059352 805742850 /nfs/dbraw/zinc/74/28/50/805742850.db2.gz COVXEJYPZAPZKY-SECBINFHSA-N -1 0 323.353 -0.910 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCOC(=O)C1CC1 ZINC000846076744 805743214 /nfs/dbraw/zinc/74/32/14/805743214.db2.gz DERCKFPDAUJXNE-UHFFFAOYSA-N -1 0 305.294 -0.859 20 0 DBADRM CN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000846116330 805744472 /nfs/dbraw/zinc/74/44/72/805744472.db2.gz SMUNYKNIUDBIGH-GHMZBOCLSA-N -1 0 312.347 -0.038 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000846132100 805744912 /nfs/dbraw/zinc/74/49/12/805744912.db2.gz UBEGXNDCWXIIBZ-UHFFFAOYSA-N -1 0 323.305 -0.420 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccccc1C(=O)OC ZINC000846133001 805745007 /nfs/dbraw/zinc/74/50/07/805745007.db2.gz JBBFSDVDYGOZLU-UHFFFAOYSA-N -1 0 323.305 -0.404 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc2c(cc1C)OCO2 ZINC000846133518 805745156 /nfs/dbraw/zinc/74/51/56/805745156.db2.gz UITPRZQGZIRFCD-UHFFFAOYSA-N -1 0 323.305 -0.154 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)CCO1 ZINC000846325481 805751543 /nfs/dbraw/zinc/75/15/43/805751543.db2.gz ADLFOIYJLVPYSK-RNJXMRFFSA-N -1 0 304.249 -0.978 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000846492922 805757146 /nfs/dbraw/zinc/75/71/46/805757146.db2.gz HKJYCPREQKNTCQ-ZETCQYMHSA-N -1 0 311.260 -0.276 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000846496835 805757842 /nfs/dbraw/zinc/75/78/42/805757842.db2.gz OYQUQCBLVPUUEQ-BQBZGAKWSA-N -1 0 311.260 -0.373 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNC(=O)OCC(F)(F)F ZINC000846495018 805757958 /nfs/dbraw/zinc/75/79/58/805757958.db2.gz AFFDGLPFCCNMME-UHFFFAOYSA-N -1 0 301.221 -0.541 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000846497254 805757970 /nfs/dbraw/zinc/75/79/70/805757970.db2.gz TZQXXRFNQNTJPP-UHFFFAOYSA-N -1 0 304.310 -0.611 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000846497190 805758026 /nfs/dbraw/zinc/75/80/26/805758026.db2.gz MITVOQCIIYGBDG-UHFFFAOYSA-N -1 0 319.314 -0.729 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CCc1c(C)nc2ncnn2c1C ZINC000846496486 805758186 /nfs/dbraw/zinc/75/81/86/805758186.db2.gz APPPOJBHMKOBSZ-UHFFFAOYSA-N -1 0 320.353 -0.142 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cc(S(=O)(=O)NC)cs1 ZINC000846494105 805758195 /nfs/dbraw/zinc/75/81/95/805758195.db2.gz MJPXVHVPIDMTGX-UHFFFAOYSA-N -1 0 321.380 -0.546 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(S(N)(=O)=O)c(C)c1 ZINC000846495049 805758325 /nfs/dbraw/zinc/75/83/25/805758325.db2.gz BIXHQBGKOIMZHU-UHFFFAOYSA-N -1 0 315.351 -0.560 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000846497471 805758509 /nfs/dbraw/zinc/75/85/09/805758509.db2.gz NANALLKDYZQHGW-LLVKDONJSA-N -1 0 320.349 -0.386 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1c(C)oc(C)c1S(N)(=O)=O ZINC000846498099 805759335 /nfs/dbraw/zinc/75/93/35/805759335.db2.gz SCRJBQJPGJNTKI-UHFFFAOYSA-N -1 0 319.339 -0.659 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 ZINC000846498160 805759354 /nfs/dbraw/zinc/75/93/54/805759354.db2.gz JVMSXDJUEWPZBG-ZDUSSCGKSA-N -1 0 321.333 -0.016 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)[N-]O[C@H](CO)C(C)C)C1=O ZINC001298376881 805794699 /nfs/dbraw/zinc/79/46/99/805794699.db2.gz HGSKZGOLFMJGNR-GHMZBOCLSA-N -1 0 316.354 -0.537 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847390457 805797150 /nfs/dbraw/zinc/79/71/50/805797150.db2.gz XCDXLLLBNTUZSN-UTUOFQBUSA-N -1 0 316.402 -0.149 20 0 DBADRM O=C(Cn1nnc2c1CCCC2)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000847473389 805802110 /nfs/dbraw/zinc/80/21/10/805802110.db2.gz TXENBOJYLXFSLJ-NSHDSACASA-N -1 0 318.341 -0.730 20 0 DBADRM CC1=C(C(=O)NCc2n[nH]c(=O)[n-]2)[C@H](C)n2nnnc2N1C ZINC000847544335 805806608 /nfs/dbraw/zinc/80/66/08/805806608.db2.gz IVBSYNCANFOMFD-LURJTMIESA-N -1 0 305.302 -0.902 20 0 DBADRM O=C(CCCF)NC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001298491876 805809452 /nfs/dbraw/zinc/80/94/52/805809452.db2.gz QAIZOUQORWQSGM-OWOJBTEDSA-N -1 0 315.305 -0.772 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1ccc2c(n1)OCCO2 ZINC000847648091 805810464 /nfs/dbraw/zinc/81/04/64/805810464.db2.gz UMTALSCMZOVJIP-MRVPVSSYSA-N -1 0 314.319 -0.299 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cnc(N(C)C)cn1 ZINC000847672059 805811760 /nfs/dbraw/zinc/81/17/60/805811760.db2.gz LQMXPFQZFJZDNB-UHFFFAOYSA-N -1 0 316.339 -0.835 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC000847710432 805813971 /nfs/dbraw/zinc/81/39/71/805813971.db2.gz WJZPKUKIYZRVGD-UHFFFAOYSA-N -1 0 308.323 -0.331 20 0 DBADRM CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)O1 ZINC000847995847 805818822 /nfs/dbraw/zinc/81/88/22/805818822.db2.gz HURWXEHJKQUYMW-POYBYMJQSA-N -1 0 317.323 -0.464 20 0 DBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCS2)on1 ZINC000847995516 805818977 /nfs/dbraw/zinc/81/89/77/805818977.db2.gz FUXCFJWKZSRZFO-ZETCQYMHSA-N -1 0 319.364 -0.136 20 0 DBADRM CCC1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)COC1 ZINC000847996417 805819244 /nfs/dbraw/zinc/81/92/44/805819244.db2.gz LKDMYIJYFJDJBX-UHFFFAOYSA-N -1 0 303.296 -0.995 20 0 DBADRM CC[C@@H](C)[C@H](OC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998160 805820144 /nfs/dbraw/zinc/82/01/44/805820144.db2.gz NLBFPXPYOZJRSK-MUWHJKNJSA-N -1 0 319.339 -0.361 20 0 DBADRM CN1C(=O)C[C@H](NC(=O)CSc2n[n-]c(=S)s2)C1=O ZINC000848047025 805821364 /nfs/dbraw/zinc/82/13/64/805821364.db2.gz BTXHQPCIOFJFNE-BYPYZUCNSA-N -1 0 318.405 -0.208 20 0 DBADRM CN1C(=O)C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1=O ZINC000848049167 805822861 /nfs/dbraw/zinc/82/28/61/805822861.db2.gz NCQKZGWKPCIZPJ-RXMQYKEDSA-N -1 0 309.244 -0.683 20 0 DBADRM CN1C(=O)CN(C(=O)CSc2n[n-]c(=S)s2)CC1=O ZINC000848048094 805822918 /nfs/dbraw/zinc/82/29/18/805822918.db2.gz HVNZFADOHMMZLV-UHFFFAOYSA-N -1 0 318.405 -0.254 20 0 DBADRM CC1(C)C[C@@](C)(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C(=O)O1 ZINC000848151550 805829787 /nfs/dbraw/zinc/82/97/87/805829787.db2.gz LPXFBBKSLAHGNR-CQSZACIVSA-N -1 0 319.321 -0.328 20 0 DBADRM CO[C@](C)(CO)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000848265763 805833206 /nfs/dbraw/zinc/83/32/06/805833206.db2.gz SLNJBKIRFTYMTF-JTQLQIEISA-N -1 0 300.277 -0.043 20 0 DBADRM O=C([O-])c1cnc(C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)cn1 ZINC000848457857 805838528 /nfs/dbraw/zinc/83/85/28/805838528.db2.gz LUXMRSWODFPJBV-MRVPVSSYSA-N -1 0 306.278 -0.112 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCC1(F)F)[C@@H](C)O ZINC000885505178 807096064 /nfs/dbraw/zinc/09/60/64/807096064.db2.gz QRGCVFOTJVAJDU-CSMHCCOUSA-N -1 0 301.311 -0.127 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000848608924 805842357 /nfs/dbraw/zinc/84/23/57/805842357.db2.gz CQSVFTYYJFSRMI-SECBINFHSA-N -1 0 300.311 -0.811 20 0 DBADRM COC(=O)N1CCC(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000848607803 805842505 /nfs/dbraw/zinc/84/25/05/805842505.db2.gz JMQHDHFXNUQXJW-MRVPVSSYSA-N -1 0 315.326 -0.830 20 0 DBADRM CNC(=O)c1ccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000848607251 805842530 /nfs/dbraw/zinc/84/25/30/805842530.db2.gz VQRAWBITZCQABW-VIFPVBQESA-N -1 0 321.333 -0.501 20 0 DBADRM C[C@H](CNC(=O)C(=O)NC[C@H]1CSCCS1)C(=O)[O-] ZINC000848611880 805842812 /nfs/dbraw/zinc/84/28/12/805842812.db2.gz SLSZVJAQTYZIGI-SFYZADRCSA-N -1 0 306.409 -0.212 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N(C)Cc1ncc(Cl)n1C)C(=O)[O-] ZINC000848609490 805842918 /nfs/dbraw/zinc/84/29/18/805842918.db2.gz HPWYTUJUMXKPLI-ZETCQYMHSA-N -1 0 316.745 -0.131 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC(=O)N(C)C[C@@H]1C)C(=O)[O-] ZINC000848611095 805843029 /nfs/dbraw/zinc/84/30/29/805843029.db2.gz YYKBETFGXCAXHI-UWVGGRQHSA-N -1 0 313.354 -0.852 20 0 DBADRM C[C@H](CNC(=O)C(=O)NC[C@@H](C)CC1(C)OCCO1)C(=O)[O-] ZINC000848612007 805843577 /nfs/dbraw/zinc/84/35/77/805843577.db2.gz UZEFRSVMMODJBE-VHSXEESVSA-N -1 0 316.354 -0.271 20 0 DBADRM CC/C=C(\C)C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001299067080 805856645 /nfs/dbraw/zinc/85/66/45/805856645.db2.gz JPMDSNRRWQYDOH-VGANXODHSA-N -1 0 321.337 -0.030 20 0 DBADRM COC(=O)c1ccc(F)c(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1 ZINC000849221652 805860178 /nfs/dbraw/zinc/86/01/78/805860178.db2.gz UPALGARTZNBXAO-MRVPVSSYSA-N -1 0 321.282 -0.664 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)c1c[nH]nc1Cl)C2 ZINC000849232891 805860820 /nfs/dbraw/zinc/86/08/20/805860820.db2.gz SVJBDWWDYSMTIK-LHLIQPBNSA-N -1 0 321.742 -0.215 20 0 DBADRM NC(=O)CN1CCC(NS(=O)(=O)c2ccccc2[O-])CC1 ZINC000849369957 805863860 /nfs/dbraw/zinc/86/38/60/805863860.db2.gz MMZBYJYIVKSDKU-UHFFFAOYSA-N -1 0 313.379 -0.380 20 0 DBADRM C[C@]1(c2ccc(C(=O)[N-]S(C)(=O)=O)cc2)NC(=O)NC1=O ZINC000850734583 805901923 /nfs/dbraw/zinc/90/19/23/805901923.db2.gz WWNXXJGFLNOSFG-GFCCVEGCSA-N -1 0 311.319 -0.569 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cccnc1)[C@H]1CCOC1 ZINC000850737596 805902212 /nfs/dbraw/zinc/90/22/12/805902212.db2.gz RBAFQASQZSFVAJ-GXSJLCMTSA-N -1 0 300.336 -0.062 20 0 DBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)c2cccnc2)n1 ZINC000850736857 805902222 /nfs/dbraw/zinc/90/22/22/805902222.db2.gz LCVUBOHWTSMAOU-UHFFFAOYSA-N -1 0 310.339 -0.058 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N[C@H](CCO)C1CC1 ZINC000850785895 805902489 /nfs/dbraw/zinc/90/24/89/805902489.db2.gz JQJXVRHYXGEGGD-SECBINFHSA-N -1 0 307.306 -0.005 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)N1CCCCC1)[C@H]1CCOC1 ZINC000850788730 805902499 /nfs/dbraw/zinc/90/24/99/805902499.db2.gz FXESCRFGQWTDCK-QWRGUYRKSA-N -1 0 306.384 -0.115 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCC2(C1)OCCO2 ZINC000850786842 805902591 /nfs/dbraw/zinc/90/25/91/805902591.db2.gz PXTLDPRRLIJVER-UHFFFAOYSA-N -1 0 321.289 -0.306 20 0 DBADRM CC(C)CS(=O)(=O)[N-]C(=O)CN1CCN(C2CC2)C1=O ZINC000850804044 805903392 /nfs/dbraw/zinc/90/33/92/805903392.db2.gz CASRPUBRGJAGRJ-UHFFFAOYSA-N -1 0 303.384 -0.012 20 0 DBADRM COCc1cncc(C(=O)[N-]S(=O)(=O)CC(=O)OC)c1 ZINC000850832934 805903598 /nfs/dbraw/zinc/90/35/98/805903598.db2.gz GHNQMEGHKQNJKZ-UHFFFAOYSA-N -1 0 302.308 -0.539 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](CCC(C)C)NC(C)=O ZINC000850832964 805904388 /nfs/dbraw/zinc/90/43/88/805904388.db2.gz GUQJMKBAQGYIAM-JTQLQIEISA-N -1 0 322.383 -0.454 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000850843867 805904489 /nfs/dbraw/zinc/90/44/89/805904489.db2.gz QRRGIMXCQFGAFR-SNVBAGLBSA-N -1 0 317.367 -0.879 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000850834703 805904578 /nfs/dbraw/zinc/90/45/78/805904578.db2.gz LMBCICIZGAEKEV-HBNTYKKESA-N -1 0 318.395 -0.226 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)C1CCN(C(=O)OC)CC1 ZINC000850833564 805904603 /nfs/dbraw/zinc/90/46/03/805904603.db2.gz NYDIUNYPBSLZLM-UHFFFAOYSA-N -1 0 322.383 -0.053 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C[C@@H](C)n1ccc(C)n1 ZINC000850833934 805904613 /nfs/dbraw/zinc/90/46/13/805904613.db2.gz VKGBGCBPNRTTHZ-SECBINFHSA-N -1 0 303.340 -0.238 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12 ZINC000850834698 805904666 /nfs/dbraw/zinc/90/46/66/805904666.db2.gz LMBCICIZGAEKEV-AXFHLTTASA-N -1 0 318.395 -0.226 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)C1CCN(C(=O)OC)CC1 ZINC000850842574 805904854 /nfs/dbraw/zinc/90/48/54/805904854.db2.gz DRVDPPKKMSASBU-VIFPVBQESA-N -1 0 322.383 -0.054 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](CCC(C)C)NC(C)=O ZINC000850832970 805904861 /nfs/dbraw/zinc/90/48/61/805904861.db2.gz GUQJMKBAQGYIAM-SNVBAGLBSA-N -1 0 322.383 -0.454 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12 ZINC000850862944 805905422 /nfs/dbraw/zinc/90/54/22/805905422.db2.gz ZOUSHYCASRDYMG-MXWKQRLJSA-N -1 0 317.411 -0.006 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCOCC1 ZINC000850853713 805905451 /nfs/dbraw/zinc/90/54/51/805905451.db2.gz WDZUZDWWNQRUCN-UHFFFAOYSA-N -1 0 303.344 -0.965 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cnc2n1CCC2 ZINC000850862509 805905728 /nfs/dbraw/zinc/90/57/28/805905728.db2.gz PKJGYSCQDADMTQ-UHFFFAOYSA-N -1 0 300.340 -0.864 20 0 DBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)Cc2ccon2)n1 ZINC000850872319 805905759 /nfs/dbraw/zinc/90/57/59/805905759.db2.gz NKRJEXJDPUARQM-UHFFFAOYSA-N -1 0 314.327 -0.324 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](OC)C1 ZINC000850897199 805906531 /nfs/dbraw/zinc/90/65/31/805906531.db2.gz KOQVYXJWMHMCPG-MNOVXSKESA-N -1 0 309.384 -0.090 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](OC)C1 ZINC000850897198 805906721 /nfs/dbraw/zinc/90/67/21/805906721.db2.gz KOQVYXJWMHMCPG-GHMZBOCLSA-N -1 0 309.384 -0.090 20 0 DBADRM O=C(c1cc(=O)[nH]c(C2CC2)n1)N(CCO)CCOCCO ZINC001301604897 805907067 /nfs/dbraw/zinc/90/70/67/805907067.db2.gz ZTSTVUXPUXTDAI-UHFFFAOYSA-N -1 0 311.338 -0.497 20 0 DBADRM COCCCOCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000850914264 805907173 /nfs/dbraw/zinc/90/71/73/805907173.db2.gz IUOWXRFNXOMBQX-LLVKDONJSA-N -1 0 309.384 -0.088 20 0 DBADRM CC(C)(C)OC(=O)C1(C(=O)[N-]S(=O)(=O)CC(N)=O)CCC1 ZINC000850939957 805907748 /nfs/dbraw/zinc/90/77/48/805907748.db2.gz FJQYAAHYDYNTDD-UHFFFAOYSA-N -1 0 320.367 -0.570 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1ccn2nnnc2c1 ZINC000850935180 805907790 /nfs/dbraw/zinc/90/77/90/805907790.db2.gz DVRITNIKTYHRMC-SECBINFHSA-N -1 0 311.323 -0.637 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1)[C@H]1CCOC1 ZINC000850934699 805908356 /nfs/dbraw/zinc/90/83/56/805908356.db2.gz YXPDVWJFNPUENU-DCAQKATOSA-N -1 0 307.368 -0.337 20 0 DBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC ZINC000850959986 805909198 /nfs/dbraw/zinc/90/91/98/805909198.db2.gz YSQXGANOXYDFOG-YIZRAAEISA-N -1 0 311.356 -0.709 20 0 DBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000850970817 805909241 /nfs/dbraw/zinc/90/92/41/805909241.db2.gz BHEIISAYOHVUPF-MRVPVSSYSA-N -1 0 303.340 -0.704 20 0 DBADRM COCCCOCCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000850943322 805909293 /nfs/dbraw/zinc/90/92/93/805909293.db2.gz QVDZSMARQVAPPS-SECBINFHSA-N -1 0 311.356 -0.563 20 0 DBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC ZINC000850959984 805909374 /nfs/dbraw/zinc/90/93/74/805909374.db2.gz YSQXGANOXYDFOG-HLTSFMKQSA-N -1 0 311.356 -0.709 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](OC)[C@@H]1CCOC1 ZINC000850943019 805909449 /nfs/dbraw/zinc/90/94/49/805909449.db2.gz NYYRUUFKSAWEDF-DJLDLDEBSA-N -1 0 309.340 -0.955 20 0 DBADRM COCCCOCCC(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000851042894 805911382 /nfs/dbraw/zinc/91/13/82/805911382.db2.gz XJJGKSDQOCRMRZ-UHFFFAOYSA-N -1 0 319.383 -0.023 20 0 DBADRM COCCCOCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000851041828 805912172 /nfs/dbraw/zinc/91/21/72/805912172.db2.gz WMWCGKSLOONBRS-UHFFFAOYSA-N -1 0 319.383 -0.023 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2cnc3n2CCC3)cnn1C ZINC000851041891 805912236 /nfs/dbraw/zinc/91/22/36/805912236.db2.gz YDFYXNMQAYSFTK-UHFFFAOYSA-N -1 0 309.351 -0.010 20 0 DBADRM CCOC1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CCC1 ZINC000851118827 805913618 /nfs/dbraw/zinc/91/36/18/805913618.db2.gz MEYFSEOACQHKMO-UHFFFAOYSA-N -1 0 317.323 -0.462 20 0 DBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)[C@H]3[C@@H]4COC[C@@H]43)ccc21 ZINC000851175995 805914368 /nfs/dbraw/zinc/91/43/68/805914368.db2.gz MHEBCBAVVVYGMA-GDGBQDQQSA-N -1 0 322.346 -0.334 20 0 DBADRM CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1 ZINC000851135035 805914416 /nfs/dbraw/zinc/91/44/16/805914416.db2.gz BBDZBRSZXNEZKU-NWDGAFQWSA-N -1 0 318.395 -0.132 20 0 DBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC000851198181 805914503 /nfs/dbraw/zinc/91/45/03/805914503.db2.gz YQDATIGWSWVIHS-UHFFFAOYSA-N -1 0 323.367 -0.141 20 0 DBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)C3(C)COC3)ccc21 ZINC000851174845 805914689 /nfs/dbraw/zinc/91/46/89/805914689.db2.gz KMRZQUGHNGPZKT-UHFFFAOYSA-N -1 0 310.335 -0.190 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H](C)c1cnn(C)c1 ZINC000851500852 805917473 /nfs/dbraw/zinc/91/74/73/805917473.db2.gz GHUPXAZLWIPYLP-SECBINFHSA-N -1 0 319.383 -0.369 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cc(C)n(C)n1 ZINC000851500454 805917650 /nfs/dbraw/zinc/91/76/50/805917650.db2.gz SBIKPFHXQKFBEU-UHFFFAOYSA-N -1 0 305.356 -0.550 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H](C)OCC1CC1 ZINC000851500065 805917972 /nfs/dbraw/zinc/91/79/72/805917972.db2.gz FBESTHFGNDWFEI-SECBINFHSA-N -1 0 309.384 -0.091 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(C)[nH]c1=O ZINC000851500446 805918067 /nfs/dbraw/zinc/91/80/67/805918067.db2.gz RTWHRAVAUOHJBN-UHFFFAOYSA-N -1 0 318.351 -0.183 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C ZINC000851498661 805918090 /nfs/dbraw/zinc/91/80/90/805918090.db2.gz CNRFEGWBJNNABD-UHFFFAOYSA-N -1 0 324.399 -0.744 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000851501784 805918581 /nfs/dbraw/zinc/91/85/81/805918581.db2.gz CIFKVZOEUNKPGN-AXFHLTTASA-N -1 0 307.368 -0.481 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC000851502087 805918598 /nfs/dbraw/zinc/91/85/98/805918598.db2.gz MGRCMJHCXQIXIQ-ATZCPNFKSA-N -1 0 309.384 -0.093 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCOCC1CC1 ZINC000851501401 805918765 /nfs/dbraw/zinc/91/87/65/805918765.db2.gz UBNKBDKFZOVGHP-UHFFFAOYSA-N -1 0 309.384 -0.090 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CCOC[C@@H]1C ZINC000851501553 805918839 /nfs/dbraw/zinc/91/88/39/805918839.db2.gz AJUBGTYEKOUCGZ-GXSJLCMTSA-N -1 0 309.384 -0.234 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@]1(C)CCC(=O)NC1 ZINC000851502766 805918844 /nfs/dbraw/zinc/91/88/44/805918844.db2.gz UNBONLUXRSYPGO-GFCCVEGCSA-N -1 0 322.383 -0.990 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)/C=C/[C@@H]1CCOC1 ZINC000851502186 805918863 /nfs/dbraw/zinc/91/88/63/805918863.db2.gz CXXXCKNECPWYDH-HMDXOVGESA-N -1 0 307.368 -0.314 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cc(C)[nH]c(=O)c1 ZINC000851503201 805918895 /nfs/dbraw/zinc/91/88/95/805918895.db2.gz TZZCSWABTWDCRZ-UHFFFAOYSA-N -1 0 318.351 -0.183 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CC1CCOCC1 ZINC000851501260 805918964 /nfs/dbraw/zinc/91/89/64/805918964.db2.gz OMTGVCLZKLKCJQ-UHFFFAOYSA-N -1 0 309.384 -0.090 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)c2ccn3nnnc3c2)CCCOC1 ZINC000851605529 805920528 /nfs/dbraw/zinc/92/05/28/805920528.db2.gz KQOFFQHEUBDBDJ-ZDUSSCGKSA-N -1 0 305.294 -0.122 20 0 DBADRM CN(CC(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1)S(C)(=O)=O ZINC000851612014 805920727 /nfs/dbraw/zinc/92/07/27/805920727.db2.gz VWDWQZDJZJHSSL-LBPRGKRZSA-N -1 0 322.358 -0.317 20 0 DBADRM CC(C)(C)n1nnc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n1 ZINC000851603105 805920871 /nfs/dbraw/zinc/92/08/71/805920871.db2.gz IXMRZGKWYTYSAI-LKFCYVNXSA-N -1 0 323.353 -0.009 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)CC1(n2cnnn2)CCOCC1)C1CC1 ZINC000851598323 805921088 /nfs/dbraw/zinc/92/10/88/805921088.db2.gz QWDPZFNURMGUKT-LLVKDONJSA-N -1 0 323.353 -0.062 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000851651357 805921830 /nfs/dbraw/zinc/92/18/30/805921830.db2.gz LGKSFFYZVRWWJJ-KBVBSXBZSA-N -1 0 320.367 -0.695 20 0 DBADRM CN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000851624275 805922007 /nfs/dbraw/zinc/92/20/07/805922007.db2.gz CVABDEKEHWMGFZ-UZPIOYONSA-N -1 0 321.333 -0.581 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000851680437 805924214 /nfs/dbraw/zinc/92/42/14/805924214.db2.gz ICBTWTICYJYCKM-YYHMBLRTSA-N -1 0 310.350 -0.149 20 0 DBADRM COC(=O)/C=C\[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001305797293 805924500 /nfs/dbraw/zinc/92/45/00/805924500.db2.gz IFONGWYJQAOWKG-VEMNSZJBSA-N -1 0 305.294 -0.695 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000851679230 805924561 /nfs/dbraw/zinc/92/45/61/805924561.db2.gz AHCWKMRHEBXWEV-PELKAZGASA-N -1 0 320.292 -0.102 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000851680421 805924729 /nfs/dbraw/zinc/92/47/29/805924729.db2.gz ICBTWTICYJYCKM-BQVMBELUSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)NCCO[C@@H]1CC1(F)F ZINC000851683945 805925426 /nfs/dbraw/zinc/92/54/26/805925426.db2.gz SLUNSSNXZYULPY-MRVPVSSYSA-N -1 0 308.281 -0.102 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)nn1 ZINC000851684027 805925824 /nfs/dbraw/zinc/92/58/24/805925824.db2.gz VGTOWQLTMPSFNP-ZDUSSCGKSA-N -1 0 309.326 -0.763 20 0 DBADRM O=C([O-])CSCC(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000851697840 805931667 /nfs/dbraw/zinc/93/16/67/805931667.db2.gz FKJNSZZVEOKNCP-UHFFFAOYSA-N -1 0 323.314 -0.103 20 0 DBADRM COC(=O)c1oc(S(=O)(=O)[N-]N2CCCNC2=O)cc1C ZINC000851785016 805935801 /nfs/dbraw/zinc/93/58/01/805935801.db2.gz JTQKQKAAJKMJJV-UHFFFAOYSA-N -1 0 317.323 -0.017 20 0 DBADRM O=C(NCCCN1CCS(=O)(=O)CCO1)C(F)(F)F ZINC001308166683 805934032 /nfs/dbraw/zinc/93/40/32/805934032.db2.gz BMJWCCZQYHSJIM-UHFFFAOYSA-N -1 0 304.290 -0.283 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2c[nH]nc2Cl)C1=O ZINC001309466240 805937051 /nfs/dbraw/zinc/93/70/51/805937051.db2.gz HCVGQZVHJSCHGR-VIFPVBQESA-N -1 0 321.746 -0.023 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc(C(=O)OC)ccn1 ZINC001309647549 805939521 /nfs/dbraw/zinc/93/95/21/805939521.db2.gz JCNQIRLNQORETB-UHFFFAOYSA-N -1 0 317.323 -0.786 20 0 DBADRM O=C(NCCNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001311729211 805948123 /nfs/dbraw/zinc/94/81/23/805948123.db2.gz XONDUOJSDLVAAU-JTQLQIEISA-N -1 0 322.369 -0.075 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC001313362602 805960861 /nfs/dbraw/zinc/96/08/61/805960861.db2.gz RXKZJCHNQMTNLM-UHFFFAOYSA-N -1 0 321.337 -0.773 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H](O)COc1cccc(F)c1 ZINC001313361192 805960889 /nfs/dbraw/zinc/96/08/89/805960889.db2.gz JUECKCXZCHSORB-SNVBAGLBSA-N -1 0 315.301 -0.458 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCc2c(cccc2C(N)=O)C1 ZINC000852399653 805962826 /nfs/dbraw/zinc/96/28/26/805962826.db2.gz PCEJWZIDGQSSKO-UHFFFAOYSA-N -1 0 320.349 -0.079 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000852399572 805963133 /nfs/dbraw/zinc/96/31/33/805963133.db2.gz MXUSJSPPGXPRAR-JTQLQIEISA-N -1 0 315.374 -0.549 20 0 DBADRM CN(CCOCCN(C)C(=O)c1cocn1)Cc1n[nH]c(=O)[n-]1 ZINC001316760151 805983840 /nfs/dbraw/zinc/98/38/40/805983840.db2.gz DSUBXXUYJVECIU-UHFFFAOYSA-N -1 0 324.341 -0.281 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCc3nccnc3C2)C1 ZINC000852914834 805991404 /nfs/dbraw/zinc/99/14/04/805991404.db2.gz IXBWRSXMQXZQEN-HNNXBMFYSA-N -1 0 318.333 -0.316 20 0 DBADRM O=C([O-])[C@@H](C(=O)NCCCN1CCCS1(=O)=O)C1CC1 ZINC000852946445 805993931 /nfs/dbraw/zinc/99/39/31/805993931.db2.gz SYGQALGCWLPTSC-SNVBAGLBSA-N -1 0 304.368 -0.361 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C1 ZINC000852942188 805994040 /nfs/dbraw/zinc/99/40/40/805994040.db2.gz FLJKNXWZWPBGLU-CABZTGNLSA-N -1 0 319.383 -0.775 20 0 DBADRM CCC1N=NC(=S)N1CCNC(=O)[C@](C)(OC)C(=O)[O-] ZINC000852946617 805994050 /nfs/dbraw/zinc/99/40/50/805994050.db2.gz YIMVHQSJJRDJDR-NSHDSACASA-N -1 0 302.356 -0.265 20 0 DBADRM Cc1cn(C)nc1C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001316822988 805994608 /nfs/dbraw/zinc/99/46/08/805994608.db2.gz ASQKHAKBESAFBG-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM CCN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)[C@@H](C)C(=O)[O-] ZINC000852954649 805995439 /nfs/dbraw/zinc/99/54/39/805995439.db2.gz NVLIBIPLTPOSPJ-UCUJLANTSA-N -1 0 309.322 -0.581 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000852953903 805995519 /nfs/dbraw/zinc/99/55/19/805995519.db2.gz JVESONCPDXKIJB-GIPNMCIBSA-N -1 0 314.363 -0.533 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)/C=C\c1ccc(C(N)=O)o1 ZINC000853119757 805997805 /nfs/dbraw/zinc/99/78/05/805997805.db2.gz BDLRCRKDFIISJW-HORMHSFOSA-N -1 0 316.335 -0.127 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)/C=C\c1ccc(C(N)=O)o1 ZINC000853105963 805997943 /nfs/dbraw/zinc/99/79/43/805997943.db2.gz OCIUTADMGLOZCV-XQRVVYSFSA-N -1 0 316.335 -0.126 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cnc(OC)nc1)OC ZINC000853202093 806001402 /nfs/dbraw/zinc/00/14/02/806001402.db2.gz AQPPEMRBVUYRMI-SECBINFHSA-N -1 0 319.339 -0.794 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)/C=C/c1cnn(C)c1)OC ZINC000853200520 806000182 /nfs/dbraw/zinc/00/01/82/806000182.db2.gz LIPXMDHRVILZJL-SGUJLRQBSA-N -1 0 317.367 -0.459 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)Cc1c(C)noc1C)OC ZINC000853200657 806000526 /nfs/dbraw/zinc/00/05/26/806000526.db2.gz NDLJBXDMGRGTDO-JTQLQIEISA-N -1 0 320.367 -0.059 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cc(C)nn1C)OC ZINC000853203188 806000993 /nfs/dbraw/zinc/00/09/93/806000993.db2.gz FASGOGORRUEBJV-SECBINFHSA-N -1 0 305.356 -0.550 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cnn(C)c1C)OC ZINC000853201875 806001049 /nfs/dbraw/zinc/00/10/49/806001049.db2.gz YKYKBUSYTOBXAG-VIFPVBQESA-N -1 0 305.356 -0.550 20 0 DBADRM CCc1nc(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)co1 ZINC000853206673 806001669 /nfs/dbraw/zinc/00/16/69/806001669.db2.gz SJBDQOLYWAOVBF-QMMMGPOBSA-N -1 0 306.340 -0.042 20 0 DBADRM CCn1cc(CC(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)cn1 ZINC000853206331 806001899 /nfs/dbraw/zinc/00/18/99/806001899.db2.gz PIBWKYOINPSDHV-LLVKDONJSA-N -1 0 319.383 -0.447 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C)OC ZINC000853208630 806003089 /nfs/dbraw/zinc/00/30/89/806003089.db2.gz VWEAESOYACPZSB-UKKRHICBSA-N -1 0 309.384 -0.093 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@]12C[C@@H]1COC2(C)C)OC ZINC000853209704 806003167 /nfs/dbraw/zinc/00/31/67/806003167.db2.gz QJEILTUYGKPKHX-GIPNMCIBSA-N -1 0 321.395 -0.091 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C[C@H]1CCCC(=O)N1)OC ZINC000853209489 806003269 /nfs/dbraw/zinc/00/32/69/806003269.db2.gz LHVHNZQASOUJNY-ZJUUUORDSA-N -1 0 322.383 -0.847 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C[C@H](C)n1cccn1)OC ZINC000853209678 806003331 /nfs/dbraw/zinc/00/33/31/806003331.db2.gz QAAIQUZRNVKTTG-WDEREUQCSA-N -1 0 319.383 -0.058 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C[C@H](C)n1ccnc1)OC ZINC000853208948 806003519 /nfs/dbraw/zinc/00/35/19/806003519.db2.gz JLYVMEORFGXVPA-WDEREUQCSA-N -1 0 319.383 -0.058 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)Cc1cnn(C)c1C)OC ZINC000853210304 806004460 /nfs/dbraw/zinc/00/44/60/806004460.db2.gz UGQZECGGKNJDDF-NSHDSACASA-N -1 0 319.383 -0.622 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000854215727 806029101 /nfs/dbraw/zinc/02/91/01/806029101.db2.gz LOLVEVXPWKCAQK-RKDXNWHRSA-N -1 0 307.372 -0.681 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000854215847 806029648 /nfs/dbraw/zinc/02/96/48/806029648.db2.gz PHFPEHNJBRMYRC-LLVKDONJSA-N -1 0 312.370 -0.292 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000854611466 806045525 /nfs/dbraw/zinc/04/55/25/806045525.db2.gz XARMFBYDZQFINF-BYPYZUCNSA-N -1 0 309.204 -0.687 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)Nn2c(=O)[n-][nH]c2=O)C1 ZINC000854611152 806045693 /nfs/dbraw/zinc/04/56/93/806045693.db2.gz QKICXJUXBLBSGL-ZCFIWIBFSA-N -1 0 313.270 -0.754 20 0 DBADRM Cc1cnn(-c2c(C(=O)Nn3c(=O)[n-][nH]c3=O)c(C)nn2C)c1 ZINC000854611240 806045743 /nfs/dbraw/zinc/04/57/43/806045743.db2.gz RQSZXGUNADOWJM-UHFFFAOYSA-N -1 0 318.297 -0.391 20 0 DBADRM CCn1ncn([N-]C(=O)c2cn[nH]c2-c2cnn(C)c2)c1=O ZINC000854628989 806047280 /nfs/dbraw/zinc/04/72/80/806047280.db2.gz MPNZRZMOPWIQCH-UHFFFAOYSA-N -1 0 302.298 -0.428 20 0 DBADRM CCn1ncn([N-]C(=O)c2cnc3c(cnn3C)c2OC)c1=O ZINC000854629240 806047760 /nfs/dbraw/zinc/04/77/60/806047760.db2.gz TUCONBAQZMHQEA-UHFFFAOYSA-N -1 0 317.309 -0.261 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@](C)(OC)C(=O)OC(C)(C)C ZINC000855023931 806069628 /nfs/dbraw/zinc/06/96/28/806069628.db2.gz IFWNLEHGYRFHCW-ZDUSSCGKSA-N -1 0 304.343 -0.083 20 0 DBADRM O=C(N[C@H](C1CCOCC1)C1(CO)CCC1)c1cc(=O)[nH][n-]1 ZINC000855120153 806070515 /nfs/dbraw/zinc/07/05/15/806070515.db2.gz JGHXIHVABOQVBT-CYBMUJFWSA-N -1 0 309.366 -0.064 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H](CO)NC(=O)C(C)C ZINC000855132866 806070742 /nfs/dbraw/zinc/07/07/42/806070742.db2.gz INGBIRSNYGNVOY-VIFPVBQESA-N -1 0 304.343 -0.491 20 0 DBADRM O=C(CC(=O)NCC(F)(F)F)[N-]OCCN1CCCC1=O ZINC000856042473 806095039 /nfs/dbraw/zinc/09/50/39/806095039.db2.gz GBWRINFEVDOVAR-UHFFFAOYSA-N -1 0 311.260 -0.275 20 0 DBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)[N-]OCCN1CCCC1=O ZINC000856044700 806095089 /nfs/dbraw/zinc/09/50/89/806095089.db2.gz SWUSPOPAAJXAFW-JTQLQIEISA-N -1 0 300.359 -0.260 20 0 DBADRM CC(C)(C(N)=O)C(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001317141405 806097908 /nfs/dbraw/zinc/09/79/08/806097908.db2.gz UPYAGPIWHUPBPP-VIFPVBQESA-N -1 0 324.385 -0.650 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856419658 806099743 /nfs/dbraw/zinc/09/97/43/806099743.db2.gz KAEGKXIPRQATFC-SFYZADRCSA-N -1 0 320.275 -0.411 20 0 DBADRM Cn1cc(/C=C/C(=O)N2CCC[C@]2(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000856961297 806106037 /nfs/dbraw/zinc/10/60/37/806106037.db2.gz GQERXGXREPWLRG-LLYBFZRZSA-N -1 0 321.333 -0.437 20 0 DBADRM Cn1cc(/C=C/C(=O)N2CCC[C@@]2(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000856961299 806106057 /nfs/dbraw/zinc/10/60/57/806106057.db2.gz GQERXGXREPWLRG-NFAHFFEMSA-N -1 0 321.333 -0.437 20 0 DBADRM CCOCCn1cc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cn1 ZINC000857020485 806107261 /nfs/dbraw/zinc/10/72/61/806107261.db2.gz DYQYGDFITLVCEO-UHFFFAOYSA-N -1 0 313.339 -0.239 20 0 DBADRM O=C([O-])C1CN(C(=O)NC[C@@H]2COC3(CCOCC3)O2)C1 ZINC000857100894 806108570 /nfs/dbraw/zinc/10/85/70/806108570.db2.gz NBOBOKNQBQFFLN-SNVBAGLBSA-N -1 0 300.311 -0.366 20 0 DBADRM CCOC(=O)N1CC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000857182804 806110076 /nfs/dbraw/zinc/11/00/76/806110076.db2.gz PAYGRYHDDNLCOF-VIFPVBQESA-N -1 0 319.321 -0.017 20 0 DBADRM O=C(CNC(=O)c1ccc(O)cc1)[N-]OCCN1CCCC1=O ZINC000857331052 806115446 /nfs/dbraw/zinc/11/54/46/806115446.db2.gz QIADGIYFRDVZPV-UHFFFAOYSA-N -1 0 321.333 -0.208 20 0 DBADRM C[C@@H]1[C@@H](CO)CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000857290158 806115611 /nfs/dbraw/zinc/11/56/11/806115611.db2.gz WILNKONWTKOYEE-NXEZZACHSA-N -1 0 305.338 -0.309 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@H]1CO ZINC000857364495 806117414 /nfs/dbraw/zinc/11/74/14/806117414.db2.gz JXVMYWNYCCFDHR-VHSXEESVSA-N -1 0 305.338 -0.452 20 0 DBADRM O=C(N[C@@H]1CS(=O)(=O)Cc2ccccc21)c1cc(=O)[nH][n-]1 ZINC000857726604 806124310 /nfs/dbraw/zinc/12/43/10/806124310.db2.gz CGSXUJJBHXINPB-LLVKDONJSA-N -1 0 307.331 -0.352 20 0 DBADRM CN(OCC(F)(F)F)C(=O)CNC(=O)c1cc(=O)n(C)[n-]1 ZINC000857742436 806124745 /nfs/dbraw/zinc/12/47/45/806124745.db2.gz CRLOUJYYFQDFAA-UHFFFAOYSA-N -1 0 310.232 -0.192 20 0 DBADRM CN(CCNC(=O)c1cnn2ccncc12)Cc1n[nH]c(=O)[n-]1 ZINC001317449926 806152715 /nfs/dbraw/zinc/15/27/15/806152715.db2.gz KDACPLVVRRYLRN-UHFFFAOYSA-N -1 0 316.325 -0.585 20 0 DBADRM CC1CCN(C(=O)C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001317464131 806157782 /nfs/dbraw/zinc/15/77/82/806157782.db2.gz RSJKZAOUTWKMGF-UHFFFAOYSA-N -1 0 324.385 -0.683 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CCO)C2CC2)on1 ZINC000859013140 806168852 /nfs/dbraw/zinc/16/88/52/806168852.db2.gz AJTDXXNQUURYDS-MRVPVSSYSA-N -1 0 304.324 -0.100 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000859775044 806204469 /nfs/dbraw/zinc/20/44/69/806204469.db2.gz GUXIHNRFTWRCSJ-MRVPVSSYSA-N -1 0 323.305 -0.152 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000859776238 806204490 /nfs/dbraw/zinc/20/44/90/806204490.db2.gz FOJXYXYCCZTVPG-QMMMGPOBSA-N -1 0 323.305 -0.152 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OCCn2cncn2)cn1 ZINC000859923425 806211030 /nfs/dbraw/zinc/21/10/30/806211030.db2.gz ZVLMQLGFBZWYEI-UHFFFAOYSA-N -1 0 311.323 -0.098 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860506347 806233642 /nfs/dbraw/zinc/23/36/42/806233642.db2.gz CSBHXCAUIGZGGX-VIFPVBQESA-N -1 0 314.367 -0.373 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@]1(C)Br ZINC000860538175 806234840 /nfs/dbraw/zinc/23/48/40/806234840.db2.gz ZFUVRYDEDNRRDM-XRGYYRRGSA-N -1 0 314.157 -0.221 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)Cn1ccc(C(F)F)n1 ZINC000860537267 806235187 /nfs/dbraw/zinc/23/51/87/806235187.db2.gz LNDCIUKANSXINQ-UHFFFAOYSA-N -1 0 311.266 -0.560 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000860558112 806236448 /nfs/dbraw/zinc/23/64/48/806236448.db2.gz OVLBEDQODOGPGO-VIFPVBQESA-N -1 0 302.356 -0.216 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C ZINC000860550757 806236503 /nfs/dbraw/zinc/23/65/03/806236503.db2.gz YVEDQCPYQMRVLJ-JTQLQIEISA-N -1 0 308.356 -0.844 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)Cc1ccc(C(N)=O)nc1 ZINC000860567804 806236947 /nfs/dbraw/zinc/23/69/47/806236947.db2.gz PVARPVMJXHIXTG-UHFFFAOYSA-N -1 0 300.340 -0.964 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnccn2)O1 ZINC000860601983 806238356 /nfs/dbraw/zinc/23/83/56/806238356.db2.gz WNGXYQMKFKUIAJ-SFYZADRCSA-N -1 0 315.307 -0.998 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cn(C2CC2)nn1 ZINC000860612618 806239189 /nfs/dbraw/zinc/23/91/89/806239189.db2.gz DIYOJJQWIXWCCG-UHFFFAOYSA-N -1 0 318.355 -0.664 20 0 DBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)c2ccsc2)C1=O ZINC000860610580 806239247 /nfs/dbraw/zinc/23/92/47/806239247.db2.gz XKIPVKDETMUEDM-UHFFFAOYSA-N -1 0 317.348 -0.553 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1)C(C)C ZINC000860632212 806239329 /nfs/dbraw/zinc/23/93/29/806239329.db2.gz UDOQXKFODGSMHT-WDEREUQCSA-N -1 0 306.384 -0.370 20 0 DBADRM Cc1ccc(CO[C@@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000860648974 806240252 /nfs/dbraw/zinc/24/02/52/806240252.db2.gz ZCCKQIUWLZSBDS-JTQLQIEISA-N -1 0 314.363 -0.169 20 0 DBADRM Cc1ccc(CO[C@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000860648975 806240386 /nfs/dbraw/zinc/24/03/86/806240386.db2.gz ZCCKQIUWLZSBDS-SNVBAGLBSA-N -1 0 314.363 -0.169 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1nccc1C ZINC000860664727 806241613 /nfs/dbraw/zinc/24/16/13/806241613.db2.gz DJARRCGWEZOUPF-ZJUUUORDSA-N -1 0 317.367 -0.165 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)c1cn(C2CC2)nn1 ZINC000860685572 806243108 /nfs/dbraw/zinc/24/31/08/806243108.db2.gz RSJZRBUEWBTXIK-UHFFFAOYSA-N -1 0 322.350 -0.126 20 0 DBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)C2CCC2)c1 ZINC000860707918 806243810 /nfs/dbraw/zinc/24/38/10/806243810.db2.gz POPPTAWWNJKERN-UHFFFAOYSA-N -1 0 301.324 -0.332 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OC[C@@H]2CCNC2=O)cn1 ZINC000860714896 806243820 /nfs/dbraw/zinc/24/38/20/806243820.db2.gz KAAOTUZSEQWFBW-VIFPVBQESA-N -1 0 313.335 -0.254 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C ZINC000860785449 806246612 /nfs/dbraw/zinc/24/66/12/806246612.db2.gz YMCXSRHKNSBVTB-VIFPVBQESA-N -1 0 302.356 -0.696 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OC[C@]2(O)CCOC2)cn1 ZINC000860828007 806248639 /nfs/dbraw/zinc/24/86/39/806248639.db2.gz DWERTFCVHDIEMK-LBPRGKRZSA-N -1 0 316.335 -0.239 20 0 DBADRM CCO[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)C(C)C ZINC000860865427 806250385 /nfs/dbraw/zinc/25/03/85/806250385.db2.gz QAYVAFNKJCBZRX-SECBINFHSA-N -1 0 319.339 -0.361 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)COCC(F)F)OC ZINC000860892885 806251070 /nfs/dbraw/zinc/25/10/70/806251070.db2.gz YXKAONDOQMKKDT-SSDOTTSWSA-N -1 0 305.299 -0.625 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cn1nccc1C ZINC000860884442 806251121 /nfs/dbraw/zinc/25/11/21/806251121.db2.gz NDTWZHQZHCJOQC-UHFFFAOYSA-N -1 0 305.356 -0.701 20 0 DBADRM CCc1nocc1C(=O)[N-]S(=O)(=O)C(COC)COC ZINC000860884460 806251292 /nfs/dbraw/zinc/25/12/92/806251292.db2.gz NSTHWBRNGYBGBR-UHFFFAOYSA-N -1 0 306.340 -0.042 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)Cn1cncc1C)OC ZINC000860890534 806251324 /nfs/dbraw/zinc/25/13/24/806251324.db2.gz DLQZTBIDIWJXNQ-JTQLQIEISA-N -1 0 305.356 -0.701 20 0 DBADRM NC(=O)c1ccc(CC(=O)[N-]S(=O)(=O)CC(F)F)cn1 ZINC000860875987 806251407 /nfs/dbraw/zinc/25/14/07/806251407.db2.gz BWIDSJDSLJHBOM-UHFFFAOYSA-N -1 0 307.278 -0.566 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cn(C2CC2)nn1)OC ZINC000860892912 806252097 /nfs/dbraw/zinc/25/20/97/806252097.db2.gz ZJFRNBZFKXTMJS-SECBINFHSA-N -1 0 318.355 -0.666 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)CCCCNC(N)=O)CO1 ZINC000861143405 806257530 /nfs/dbraw/zinc/25/75/30/806257530.db2.gz KXEGKMHLQTYJAO-SECBINFHSA-N -1 0 321.399 -0.162 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000861138418 806257760 /nfs/dbraw/zinc/25/77/60/806257760.db2.gz GSDNGLQLGGXJFK-MRVPVSSYSA-N -1 0 307.372 -0.681 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000861142614 806257801 /nfs/dbraw/zinc/25/78/01/806257801.db2.gz ASEOPSZFWSFKKV-SECBINFHSA-N -1 0 306.384 -0.084 20 0 DBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861160666 806259912 /nfs/dbraw/zinc/25/99/12/806259912.db2.gz KOTVYBVTBRYTRM-UHFFFAOYSA-N -1 0 312.294 -0.911 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@@H]1CCOC(=O)N1 ZINC000861240805 806261586 /nfs/dbraw/zinc/26/15/86/806261586.db2.gz HEJPYZBOOJCJDR-VIFPVBQESA-N -1 0 304.266 -0.195 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCC2OCCCO2)cn1 ZINC000861213157 806262239 /nfs/dbraw/zinc/26/22/39/806262239.db2.gz HWWZIJVHDIBMOK-UHFFFAOYSA-N -1 0 315.351 -0.054 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)CC[C@@H]1C(=O)[O-] ZINC000861455979 806268209 /nfs/dbraw/zinc/26/82/09/806268209.db2.gz JXBHFSVTOMPWLZ-VGMNWLOBSA-N -1 0 312.326 -0.631 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000861462223 806268747 /nfs/dbraw/zinc/26/87/47/806268747.db2.gz XZGSSISVFIBWNJ-VIFPVBQESA-N -1 0 317.342 -0.425 20 0 DBADRM CCn1ncc(CNC(=O)NCC2(C(=O)[O-])CCOCC2)n1 ZINC000861460950 806268887 /nfs/dbraw/zinc/26/88/87/806268887.db2.gz JGLJDENSQXHRNV-UHFFFAOYSA-N -1 0 311.342 -0.021 20 0 DBADRM Cn1[n-]nnc1=NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC001318312717 806282340 /nfs/dbraw/zinc/28/23/40/806282340.db2.gz UMMGDAJOLYQKDY-ZDUSSCGKSA-N -1 0 301.310 -0.701 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2ccn(C)n2)CC[C@H]1C(=O)[O-] ZINC000861717833 806283128 /nfs/dbraw/zinc/28/31/28/806283128.db2.gz CCYDHNDXOSUICF-MWLCHTKSSA-N -1 0 308.338 -0.395 20 0 DBADRM Cn1nccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC001318324965 806283522 /nfs/dbraw/zinc/28/35/22/806283522.db2.gz WZDJYUOSIREFNN-UHFFFAOYSA-N -1 0 321.318 -0.249 20 0 DBADRM COC(=O)C1=CC[C@H](NC(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC000861724065 806284242 /nfs/dbraw/zinc/28/42/42/806284242.db2.gz NOPVFTKKRROUPV-JTQLQIEISA-N -1 0 312.322 -0.265 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C(=O)O1 ZINC000861721738 806284306 /nfs/dbraw/zinc/28/43/06/806284306.db2.gz BHVRHXJWHNQCKN-APPZFPTMSA-N -1 0 313.335 -0.113 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])n1 ZINC000861721689 806284780 /nfs/dbraw/zinc/28/47/80/806284780.db2.gz ANGVXHOWFOBSPH-UHFFFAOYSA-N -1 0 311.342 -0.469 20 0 DBADRM CCOC(=O)C1=CC[C@@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000861721227 806284815 /nfs/dbraw/zinc/28/48/15/806284815.db2.gz QVPIDEHJCJNYEN-WDEREUQCSA-N -1 0 324.333 -0.312 20 0 DBADRM Cc1nc(C(=O)[N-]N2CC(=O)NC2=O)nn1-c1ccccc1 ZINC001318383867 806291962 /nfs/dbraw/zinc/29/19/62/806291962.db2.gz XEDFRYFPYSXUSQ-UHFFFAOYSA-N -1 0 300.278 -0.228 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000861817605 806297173 /nfs/dbraw/zinc/29/71/73/806297173.db2.gz ONQIXZHAABPLPZ-JTQLQIEISA-N -1 0 317.305 -0.078 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(-c2nnnn2C)cc1 ZINC000861844838 806299424 /nfs/dbraw/zinc/29/94/24/806299424.db2.gz PYXCDAFHXDAXRK-UHFFFAOYSA-N -1 0 320.309 -0.490 20 0 DBADRM CCCOc1cncc(NC(=O)C(=O)NCC(=O)[N-]OCC)c1 ZINC000861899530 806301486 /nfs/dbraw/zinc/30/14/86/806301486.db2.gz OCKVBABWHNULBZ-UHFFFAOYSA-N -1 0 324.337 -0.007 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(OC)cnc1F ZINC000861899484 806301546 /nfs/dbraw/zinc/30/15/46/806301546.db2.gz NIONXXBUNLSHGK-UHFFFAOYSA-N -1 0 314.273 -0.648 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2COCO2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000861970308 806305887 /nfs/dbraw/zinc/30/58/87/806305887.db2.gz FNADVBKWDBGDHU-ZETCQYMHSA-N -1 0 306.278 -0.153 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC000862153120 806313555 /nfs/dbraw/zinc/31/35/55/806313555.db2.gz QZHKBLDBROPGFP-UHFFFAOYSA-N -1 0 301.299 -0.730 20 0 DBADRM CCO[N-]C(=O)CNC(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC000862130588 806313633 /nfs/dbraw/zinc/31/36/33/806313633.db2.gz MAXPRNMUUNORFS-XQRVVYSFSA-N -1 0 316.335 -0.120 20 0 DBADRM COC(=O)CCCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001318584875 806315143 /nfs/dbraw/zinc/31/51/43/806315143.db2.gz QDQFVCBSRUBGCP-UHFFFAOYSA-N -1 0 307.310 -0.469 20 0 DBADRM COC(=O)C1=CC[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000862668618 806328310 /nfs/dbraw/zinc/32/83/10/806328310.db2.gz PPUBFFYNZYCVGH-SECBINFHSA-N -1 0 317.305 -0.551 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC001318809392 806328874 /nfs/dbraw/zinc/32/88/74/806328874.db2.gz LPUARDUUXHISLO-UHFFFAOYSA-N -1 0 317.367 -0.391 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]N2CCOC2=O)co1 ZINC000862701782 806330582 /nfs/dbraw/zinc/33/05/82/806330582.db2.gz KTYHCLNQXDXGGP-UHFFFAOYSA-N -1 0 303.296 -0.373 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)[N-]N2CCOC2=O)c(C)o1 ZINC000862701222 806331217 /nfs/dbraw/zinc/33/12/17/806331217.db2.gz PFEOCBLXSKGINM-UHFFFAOYSA-N -1 0 303.296 -0.407 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)[N-]S(=O)(=O)CCCF ZINC001318880125 806332045 /nfs/dbraw/zinc/33/20/45/806332045.db2.gz ACVHXJCRUXDYKA-UHFFFAOYSA-N -1 0 309.319 -0.876 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)Cc1ccon1 ZINC001319017874 806339099 /nfs/dbraw/zinc/33/90/99/806339099.db2.gz XPOOLRGGHUDUMH-UHFFFAOYSA-N -1 0 315.307 -0.840 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001319032855 806340297 /nfs/dbraw/zinc/34/02/97/806340297.db2.gz GFVHIZXIZFVNQF-RFZPGFLSSA-N -1 0 307.232 -0.416 20 0 DBADRM CCOC(=O)C1=CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000862876564 806341049 /nfs/dbraw/zinc/34/10/49/806341049.db2.gz OHUQLZXHUPWZQF-SECBINFHSA-N -1 0 307.306 -0.132 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)C[C@H]2CCOC2)[C@](C)(C(=O)[O-])C1 ZINC000863412102 806356299 /nfs/dbraw/zinc/35/62/99/806356299.db2.gz HFICTRCEIIWNRD-NHCYSSNCSA-N -1 0 307.368 -0.083 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-] ZINC000863416299 806356318 /nfs/dbraw/zinc/35/63/18/806356318.db2.gz HGYBOXNPTMXQTQ-ZETCQYMHSA-N -1 0 307.328 -0.278 20 0 DBADRM COC1CCN(S(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])CC1 ZINC000863407949 806356351 /nfs/dbraw/zinc/35/63/51/806356351.db2.gz LCXRTOKROAMDFS-SNVBAGLBSA-N -1 0 308.356 -0.636 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCOCC2)n1C ZINC000863406643 806355198 /nfs/dbraw/zinc/35/51/98/806355198.db2.gz IAQWRTDDOYFLOI-LLVKDONJSA-N -1 0 317.367 -0.113 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CC2CCOCC2)C1 ZINC000863429276 806357189 /nfs/dbraw/zinc/35/71/89/806357189.db2.gz BIORKEUJJSIOBD-LBPRGKRZSA-N -1 0 307.368 -0.082 20 0 DBADRM COC(=O)c1cc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)nn1C ZINC000863449182 806359275 /nfs/dbraw/zinc/35/92/75/806359275.db2.gz XLPBSPQSFWDAQC-SSDOTTSWSA-N -1 0 318.355 -0.575 20 0 DBADRM CCO[N-]C(=O)CN1C(=O)[C@H]2CC[C@@H](C(=O)OC)CN2C1=O ZINC000863512789 806361027 /nfs/dbraw/zinc/36/10/27/806361027.db2.gz NQZCNLQVTWFBKZ-RKDXNWHRSA-N -1 0 313.310 -0.730 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)C1 ZINC000863747095 806370559 /nfs/dbraw/zinc/37/05/59/806370559.db2.gz MEQWMJNSMMREIH-GMTAPVOTSA-N -1 0 324.333 -0.669 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](CCF)C2)C1 ZINC000863746291 806371031 /nfs/dbraw/zinc/37/10/31/806371031.db2.gz IWRXELRAYQUDTF-IINYFYTJSA-N -1 0 316.329 -0.103 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)C1 ZINC000863748132 806371303 /nfs/dbraw/zinc/37/13/03/806371303.db2.gz WKYKYDPDJYTPBT-IUIKQTSFSA-N -1 0 324.377 -0.069 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])nn2C)C1 ZINC000864058249 806386227 /nfs/dbraw/zinc/38/62/27/806386227.db2.gz RPCNHKWIUKWEKF-SECBINFHSA-N -1 0 323.353 -0.054 20 0 DBADRM CN(C)S(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1 ZINC001319526995 806388619 /nfs/dbraw/zinc/38/86/19/806388619.db2.gz ZTQKMGASYIHHFB-UHFFFAOYSA-N -1 0 314.367 -0.486 20 0 DBADRM CN1N=C(C(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])CCC1=O ZINC000864173718 806390862 /nfs/dbraw/zinc/39/08/62/806390862.db2.gz DAPCHODRMLYKNL-GXSJLCMTSA-N -1 0 311.338 -0.019 20 0 DBADRM CO[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@](C)(C(=O)[O-])C1 ZINC000864181647 806391052 /nfs/dbraw/zinc/39/10/52/806391052.db2.gz RXBOKVCLUCMSBA-SDBXPKJASA-N -1 0 311.294 -0.961 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)Cn3ccccc3=O)C2)nn1 ZINC000864133171 806391133 /nfs/dbraw/zinc/39/11/33/806391133.db2.gz JNVCZSYQWAPPRV-UHFFFAOYSA-N -1 0 303.278 -0.779 20 0 DBADRM CCO[C@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)[C@@H]1CCOC1 ZINC000864133410 806391335 /nfs/dbraw/zinc/39/13/35/806391335.db2.gz OJVRQBCQKRLKAA-SKDRFNHKSA-N -1 0 324.337 -0.199 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@H]2CC=C(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000864163755 806391364 /nfs/dbraw/zinc/39/13/64/806391364.db2.gz UVQNNAIWCXCXKX-MALLOTDXSA-N -1 0 319.317 -0.613 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN(c2cnccn2)CC1 ZINC000864128209 806391655 /nfs/dbraw/zinc/39/16/55/806391655.db2.gz XBPLDEPLBVRFCD-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM Cc1ccn(CC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c(=O)c1 ZINC000864133322 806391674 /nfs/dbraw/zinc/39/16/74/806391674.db2.gz NOXITJBUNGHJIY-UHFFFAOYSA-N -1 0 317.305 -0.470 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC1CC(C(=O)[O-])C1 ZINC000864207076 806391763 /nfs/dbraw/zinc/39/17/63/806391763.db2.gz GACXSAGPZSVXEY-AMDVSUOASA-N -1 0 306.384 -0.070 20 0 DBADRM O=C([O-])c1coc(CNC(=O)C2(n3cnnn3)CCOCC2)c1 ZINC000864191755 806391853 /nfs/dbraw/zinc/39/18/53/806391853.db2.gz MOMXKRGCCXAZBA-UHFFFAOYSA-N -1 0 321.293 -0.214 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)CN1CCCS1(=O)=O)C1CC1 ZINC000864199677 806391863 /nfs/dbraw/zinc/39/18/63/806391863.db2.gz KZKWHUNGPTZJDU-LBPRGKRZSA-N -1 0 304.368 -0.219 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)NC2CC(C(=O)[O-])C2)s1 ZINC000864205498 806391911 /nfs/dbraw/zinc/39/19/11/806391911.db2.gz MDBHHYMFVJWCLT-UHFFFAOYSA-N -1 0 318.376 -0.083 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)S1(=O)=O ZINC000864201224 806392377 /nfs/dbraw/zinc/39/23/77/806392377.db2.gz PLRSONMMHLEKMD-SKDRFNHKSA-N -1 0 304.368 -0.220 20 0 DBADRM O=C(Cn1c(=O)cnc2ccccc21)NCc1nc(=O)o[n-]1 ZINC001319588505 806394873 /nfs/dbraw/zinc/39/48/73/806394873.db2.gz XMDTZRCUMRQQAY-UHFFFAOYSA-N -1 0 301.262 -0.611 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000864495465 806395446 /nfs/dbraw/zinc/39/54/46/806395446.db2.gz HRHXGYJOALYXKP-ZWNOBZJWSA-N -1 0 316.379 -0.124 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cn(CC(=O)C(C)(C)C)nn2)C1=O ZINC001319842403 806412615 /nfs/dbraw/zinc/41/26/15/806412615.db2.gz MFFDTVUPGWTXHV-UHFFFAOYSA-N -1 0 322.325 -0.568 20 0 DBADRM O=C(CN1C(=O)c2ccccc2C1=O)NCc1nc(=O)o[n-]1 ZINC001319857386 806413171 /nfs/dbraw/zinc/41/31/71/806413171.db2.gz ANQRVIJBHZFOJS-UHFFFAOYSA-N -1 0 302.246 -0.725 20 0 DBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]N1CC(=O)N(C)C1=O ZINC001319920933 806419123 /nfs/dbraw/zinc/41/91/23/806419123.db2.gz ZFNPZRBXNWDQQR-UHFFFAOYSA-N -1 0 319.277 -0.626 20 0 DBADRM Cc1cn2cc(NC(=O)C(=O)NCc3n[nH]c(=O)[n-]3)ccc2n1 ZINC001319936221 806419813 /nfs/dbraw/zinc/41/98/13/806419813.db2.gz ITKKYAOGBHUVFV-UHFFFAOYSA-N -1 0 315.293 -0.279 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC001320048699 806434229 /nfs/dbraw/zinc/43/42/29/806434229.db2.gz ZLKBLMATAGXSIT-UHFFFAOYSA-N -1 0 324.304 -0.088 20 0 DBADRM NC(=O)CO[N-]C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC001320126908 806442422 /nfs/dbraw/zinc/44/24/22/806442422.db2.gz GJHIYPTZEAUWBY-UHFFFAOYSA-N -1 0 306.253 -0.482 20 0 DBADRM CCN(CC)C(=O)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000866603672 806447008 /nfs/dbraw/zinc/44/70/08/806447008.db2.gz DOQHDGBYVPBPNM-UHFFFAOYSA-N -1 0 311.429 -0.049 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@H]1CN2CCN1CC2 ZINC000866994346 806467500 /nfs/dbraw/zinc/46/75/00/806467500.db2.gz JTFCLZVVDBODPF-NSHDSACASA-N -1 0 322.456 -0.918 20 0 DBADRM CCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)N=S(C)(C)=O ZINC000867106175 806472159 /nfs/dbraw/zinc/47/21/59/806472159.db2.gz XGNIVBKKXJBUQD-IUCAKERBSA-N -1 0 300.402 -0.258 20 0 DBADRM COCC[C@]1([N-]S(=O)(=O)N=S(C)(C)=O)CCOC1 ZINC000867199529 806479189 /nfs/dbraw/zinc/47/91/89/806479189.db2.gz NHARSEVZUBGHNC-VIFPVBQESA-N -1 0 300.402 -0.256 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)[C@@H]1CCCO1 ZINC000867206903 806479416 /nfs/dbraw/zinc/47/94/16/806479416.db2.gz ODQLZAWKDVDUGP-IUCAKERBSA-N -1 0 300.402 -0.258 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC1([S@@](C)=O)CC1 ZINC000867228440 806482312 /nfs/dbraw/zinc/48/23/12/806482312.db2.gz SOUCVCLXLCLSBN-CVEARBPZSA-N -1 0 302.443 -0.150 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CC1([S@](C)=O)CC1 ZINC000867228443 806482342 /nfs/dbraw/zinc/48/23/42/806482342.db2.gz SOUCVCLXLCLSBN-JKSUJKDBSA-N -1 0 302.443 -0.150 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)[N-][C@H](CF)C(=O)OC)CCC1 ZINC000867269282 806485495 /nfs/dbraw/zinc/48/54/95/806485495.db2.gz AVNKAMWVDGMYFT-MRVPVSSYSA-N -1 0 311.331 -0.097 20 0 DBADRM O=C1OCCN1C[C@H]1CCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC000867316594 806487596 /nfs/dbraw/zinc/48/75/96/806487596.db2.gz QAEFMQWNXPMACI-SECBINFHSA-N -1 0 300.340 -0.128 20 0 DBADRM COCCCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC ZINC001320458630 806492139 /nfs/dbraw/zinc/49/21/39/806492139.db2.gz IVTQLPMSRLJADO-UHFFFAOYSA-N -1 0 305.356 -0.031 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@@H]1C[C@H]2CCCCN2C1=O ZINC000867378306 806493046 /nfs/dbraw/zinc/49/30/46/806493046.db2.gz UCYHXKRXZAFINS-RKDXNWHRSA-N -1 0 309.413 -0.298 20 0 DBADRM CO[C@@H](C[N-]S(=O)(=O)N=S(C)(C)=O)[C@H]1CCOC1 ZINC000867496672 806502568 /nfs/dbraw/zinc/50/25/68/806502568.db2.gz GVIUUAQVCLLHBT-IUCAKERBSA-N -1 0 300.402 -0.400 20 0 DBADRM CO[C@H](C[N-]S(=O)(=O)N=S(C)(C)=O)[C@@H]1CCOC1 ZINC000867496673 806502960 /nfs/dbraw/zinc/50/29/60/806502960.db2.gz GVIUUAQVCLLHBT-RKDXNWHRSA-N -1 0 300.402 -0.400 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 ZINC001320619981 806510186 /nfs/dbraw/zinc/51/01/86/806510186.db2.gz SNPDZNNWGFDVIT-UHFFFAOYSA-N -1 0 316.335 -0.274 20 0 DBADRM COCn1nc(C)c(S(=O)(=O)[N-]N2CCCC2=O)c1C ZINC000867594438 806510518 /nfs/dbraw/zinc/51/05/18/806510518.db2.gz LIVDKKVNSQRLEU-UHFFFAOYSA-N -1 0 302.356 -0.080 20 0 DBADRM COCC[C@H](NC(=O)CSc1n[n-]c(=S)s1)C(N)=O ZINC001320639338 806512323 /nfs/dbraw/zinc/51/23/23/806512323.db2.gz WYQZNRBNCLKLAK-YFKPBYRVSA-N -1 0 322.437 -0.075 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]N1CCc2ccccc2C1=O ZINC000867706766 806515755 /nfs/dbraw/zinc/51/57/55/806515755.db2.gz ALPNYLAUHSRLMK-UHFFFAOYSA-N -1 0 307.335 -0.293 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]OC1CCOCC1 ZINC001320696472 806519050 /nfs/dbraw/zinc/51/90/50/806519050.db2.gz OKSOYUQKTRTJOF-UHFFFAOYSA-N -1 0 310.354 -0.002 20 0 DBADRM CN1C(=O)[C@H]2CN(S(=O)(=O)c3ccccc3[O-])C[C@H]2C1=O ZINC000867764804 806520685 /nfs/dbraw/zinc/52/06/85/806520685.db2.gz KFGOJFPPFOXFNP-DTORHVGOSA-N -1 0 310.331 -0.373 20 0 DBADRM CCNS(=O)(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000867890243 806530935 /nfs/dbraw/zinc/53/09/35/806530935.db2.gz LTAGGXHGJCNSBH-QMMMGPOBSA-N -1 0 303.306 -0.016 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(C(N)=O)cn2)C1=O ZINC001320832392 806533371 /nfs/dbraw/zinc/53/33/71/806533371.db2.gz ZPPFUTAPTYOEIB-ZDUSSCGKSA-N -1 0 305.294 -0.454 20 0 DBADRM Cc1cn2ccnc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)c2n1 ZINC001320904764 806541303 /nfs/dbraw/zinc/54/13/03/806541303.db2.gz JIBYRIZQLVTELC-UHFFFAOYSA-N -1 0 321.322 -0.188 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(C(F)F)C2)C1 ZINC000868348435 806544553 /nfs/dbraw/zinc/54/45/53/806544553.db2.gz GUSUJXIOQIESLR-ISVAXAHUSA-N -1 0 320.292 -0.462 20 0 DBADRM CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC[C@@H]1O ZINC000868348480 806544221 /nfs/dbraw/zinc/54/42/21/806544221.db2.gz OCOZEZVRVXZXOJ-MNOVXSKESA-N -1 0 312.366 -0.071 20 0 DBADRM Cc1ncncc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001320985095 806550280 /nfs/dbraw/zinc/55/02/80/806550280.db2.gz FCTLVERPSOYKST-IHWYPQMZSA-N -1 0 303.326 -0.315 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC001320973573 806548186 /nfs/dbraw/zinc/54/81/86/806548186.db2.gz IBDJQWZPHPUAHZ-UHFFFAOYSA-N -1 0 309.278 -0.350 20 0 DBADRM Cc1cc(CC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)no1 ZINC001321002573 806554341 /nfs/dbraw/zinc/55/43/41/806554341.db2.gz ZVCSYWTWPAHOIT-NSCUHMNNSA-N -1 0 306.326 -0.189 20 0 DBADRM Cc1c(CC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cnn1C ZINC001321093368 806570599 /nfs/dbraw/zinc/57/05/99/806570599.db2.gz XHXVOBQZTRRHIO-ARJAWSKDSA-N -1 0 319.369 -0.443 20 0 DBADRM O=C(CCOCC(F)(F)F)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001321140881 806578750 /nfs/dbraw/zinc/57/87/50/806578750.db2.gz NFMQXKOPLKPRBB-UHFFFAOYSA-N -1 0 323.275 -0.021 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)N1CCCC1)[C@@H]1CCOC1 ZINC000870168625 806596435 /nfs/dbraw/zinc/59/64/35/806596435.db2.gz HBMBUXJRGIEJNC-MNOVXSKESA-N -1 0 306.384 -0.115 20 0 DBADRM Cc1ccn(C[C@@H](C)C(=O)[N-]S(=O)(=O)N2CCOCC2)n1 ZINC000870214919 806597059 /nfs/dbraw/zinc/59/70/59/806597059.db2.gz VROOFLJHRPTELM-SNVBAGLBSA-N -1 0 316.383 -0.479 20 0 DBADRM CCO[C@@H]1COCC[C@H]1CC(=O)[N-]S(=O)(=O)CCOC ZINC000870198679 806597208 /nfs/dbraw/zinc/59/72/08/806597208.db2.gz FFWHZWYKKDVLSS-WDEREUQCSA-N -1 0 309.384 -0.090 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)CCOC)C1CCOCC1 ZINC000870199476 806597494 /nfs/dbraw/zinc/59/74/94/806597494.db2.gz MSMPYCOGVKZOSN-NSHDSACASA-N -1 0 309.384 -0.090 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(Br)cn1 ZINC001321276019 806598105 /nfs/dbraw/zinc/59/81/05/806598105.db2.gz FXDOMILDSQKKDX-UHFFFAOYSA-N -1 0 317.099 -0.684 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000870276149 806598637 /nfs/dbraw/zinc/59/86/37/806598637.db2.gz SNRWQLWMVDYSOM-GHMZBOCLSA-N -1 0 304.368 -0.378 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(C)=O ZINC000870290690 806598654 /nfs/dbraw/zinc/59/86/54/806598654.db2.gz ZHSDZTIBALDTCJ-LLVKDONJSA-N -1 0 306.384 -0.130 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000870351725 806599351 /nfs/dbraw/zinc/59/93/51/806599351.db2.gz ABJWEWXMYXPLER-VXGBXAGGSA-N -1 0 318.395 -0.130 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001321362715 806613883 /nfs/dbraw/zinc/61/38/83/806613883.db2.gz DXHDETVGDGKQDZ-MXQLGCADSA-N -1 0 322.369 -0.717 20 0 DBADRM COCCS(=O)(=O)N1CC[C@H]([C@@H]2CCCO2)[C@@H]1C(=O)[O-] ZINC000871740406 806641115 /nfs/dbraw/zinc/64/11/15/806641115.db2.gz NIHKARPZVBXXDB-OUAUKWLOSA-N -1 0 307.368 -0.083 20 0 DBADRM CN(C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000871775400 806642751 /nfs/dbraw/zinc/64/27/51/806642751.db2.gz HNZFDDVCKRCIBN-CHWFTXMASA-N -1 0 316.379 -0.122 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-] ZINC000871775747 806642755 /nfs/dbraw/zinc/64/27/55/806642755.db2.gz IUXARBRFWYWKOG-IMSYWVGJSA-N -1 0 304.368 -0.555 20 0 DBADRM CN(C(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000871775402 806642783 /nfs/dbraw/zinc/64/27/83/806642783.db2.gz HNZFDDVCKRCIBN-VLEAKVRGSA-N -1 0 316.379 -0.122 20 0 DBADRM COCCO[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001321580730 806642920 /nfs/dbraw/zinc/64/29/20/806642920.db2.gz MQLAWEMFJAXNCP-SNVBAGLBSA-N -1 0 321.337 -0.665 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCO[C@@H](C(F)F)C2)CC1 ZINC000872184009 806647693 /nfs/dbraw/zinc/64/76/93/806647693.db2.gz NMFGFJVUVZBLOH-SECBINFHSA-N -1 0 320.292 -0.198 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1ccc(C(=O)N(C)C)cc1 ZINC001321643698 806650914 /nfs/dbraw/zinc/65/09/14/806650914.db2.gz UQEGZAHJLOUZEK-UHFFFAOYSA-N -1 0 323.349 -0.301 20 0 DBADRM CN1CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C1=O ZINC000872451891 806657319 /nfs/dbraw/zinc/65/73/19/806657319.db2.gz RPWRXOTZLZUXLD-ASCAZGACSA-N -1 0 311.429 -0.052 20 0 DBADRM COCCOc1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1 ZINC001321688466 806658761 /nfs/dbraw/zinc/65/87/61/806658761.db2.gz BTOUCDNYGLQGAW-UHFFFAOYSA-N -1 0 311.294 -0.817 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]OC[C@H]1CCOC1 ZINC001321781825 806669575 /nfs/dbraw/zinc/66/95/75/806669575.db2.gz DLLYGHOYHTYVAG-RYUDHWBXSA-N -1 0 313.354 -0.802 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C(C)C ZINC000873524527 806687744 /nfs/dbraw/zinc/68/77/44/806687744.db2.gz CUBRCBATTKKKLG-ZJUUUORDSA-N -1 0 306.384 -0.133 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000873513806 806687766 /nfs/dbraw/zinc/68/77/66/806687766.db2.gz AWJPCKGFOIDJJR-QWRGUYRKSA-N -1 0 318.395 -0.132 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000873641837 806687868 /nfs/dbraw/zinc/68/78/68/806687868.db2.gz FKRBPTCEFUPQOC-GFCCVEGCSA-N -1 0 312.366 -0.199 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)/C=C\c3ccncn3)C2)nn1 ZINC001321953356 806691791 /nfs/dbraw/zinc/69/17/91/806691791.db2.gz CICMEWNWLUQELF-UPHRSURJSA-N -1 0 300.278 -0.137 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC001321983855 806697013 /nfs/dbraw/zinc/69/70/13/806697013.db2.gz NINDKUIGFHMGKP-UHFFFAOYSA-N -1 0 304.266 -0.774 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)CCCCS(C)(=O)=O)[n-]1 ZINC001322049935 806705797 /nfs/dbraw/zinc/70/57/97/806705797.db2.gz CTTZQNQAZBWGTD-UHFFFAOYSA-N -1 0 324.380 -0.205 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)C(=O)[N-]OC2CCOCC2)CC1=O ZINC001322185885 806719705 /nfs/dbraw/zinc/71/97/05/806719705.db2.gz JQMVLBKDKOVECA-JTQLQIEISA-N -1 0 313.354 -0.661 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)[N-]Oc1ccccc1F ZINC000874910334 806722527 /nfs/dbraw/zinc/72/25/27/806722527.db2.gz PJHOUJHMPUEJLC-UHFFFAOYSA-N -1 0 305.331 -0.026 20 0 DBADRM C[C@H](CN(C)CC(N)=O)NC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001322280368 806730287 /nfs/dbraw/zinc/73/02/87/806730287.db2.gz HCKVCHNCQUBEPA-MRVPVSSYSA-N -1 0 318.333 -0.894 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001322485734 806745154 /nfs/dbraw/zinc/74/51/54/806745154.db2.gz QSGDDBBZCICQKV-SNVBAGLBSA-N -1 0 315.370 -0.508 20 0 DBADRM CO[C@@H]1CCN(C(=O)NCCCS(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC001322514435 806748432 /nfs/dbraw/zinc/74/84/32/806748432.db2.gz POXAZMWNBAHLMZ-ZJUUUORDSA-N -1 0 322.383 -0.305 20 0 DBADRM CO[C@H]1CCN(C(=O)NCCCS(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC001322514434 806748517 /nfs/dbraw/zinc/74/85/17/806748517.db2.gz POXAZMWNBAHLMZ-VHSXEESVSA-N -1 0 322.383 -0.305 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC001322658920 806765732 /nfs/dbraw/zinc/76/57/32/806765732.db2.gz PKRDEAFUXOFTGC-JTQLQIEISA-N -1 0 313.354 -0.802 20 0 DBADRM Cc1ccc(-c2nnn(CC(=O)NCc3nc(=O)o[n-]3)n2)cc1 ZINC001322948161 806802683 /nfs/dbraw/zinc/80/26/83/806802683.db2.gz DGFVTWGMGUQVPX-UHFFFAOYSA-N -1 0 315.293 -0.359 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)CCC1=O ZINC001322973684 806805789 /nfs/dbraw/zinc/80/57/89/806805789.db2.gz DBQMACBGLGVXAF-ZETCQYMHSA-N -1 0 311.260 -0.276 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC1CCC(C(=O)OC)CC1 ZINC001323263597 806846072 /nfs/dbraw/zinc/84/60/72/806846072.db2.gz KAFBBHCMQTYAKQ-UHFFFAOYSA-N -1 0 302.327 -0.471 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC001323404348 806869297 /nfs/dbraw/zinc/86/92/97/806869297.db2.gz QHRRUARJCXJTRS-ZWNOBZJWSA-N -1 0 318.395 -0.149 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001323447915 806875807 /nfs/dbraw/zinc/87/58/07/806875807.db2.gz ZZBVZRAJDWQZBP-SNVBAGLBSA-N -1 0 320.353 -0.165 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@H]1CCC[C@H]1CCO ZINC001323705325 806906169 /nfs/dbraw/zinc/90/61/69/806906169.db2.gz YFWDTRHQWLOVIJ-WOPDTQHZSA-N -1 0 300.355 -0.262 20 0 DBADRM CCn1ncn([N-]C(=O)c2ccc(CN3CCOCC3)o2)c1=O ZINC000880101282 806913529 /nfs/dbraw/zinc/91/35/29/806913529.db2.gz FEZOUWYLFGNFLF-UHFFFAOYSA-N -1 0 321.337 -0.126 20 0 DBADRM CNC(=O)CN(CC(=O)[N-]OCc1ccccc1)CC(=O)NC ZINC000880152368 806915982 /nfs/dbraw/zinc/91/59/82/806915982.db2.gz DDHHMDKMLIAZCF-UHFFFAOYSA-N -1 0 322.365 -0.972 20 0 DBADRM COCCCNC(=O)Cn1cc(C[N-]C(=O)C(F)(F)F)nn1 ZINC000880986406 806938783 /nfs/dbraw/zinc/93/87/83/806938783.db2.gz QPPWRIDGIHFWDJ-UHFFFAOYSA-N -1 0 323.275 -0.391 20 0 DBADRM COC(=O)N1CC(NC(=O)C(=O)[N-]OCCC(F)(F)F)C1 ZINC001324081299 806943321 /nfs/dbraw/zinc/94/33/21/806943321.db2.gz HMKSSBHVBHDFQA-UHFFFAOYSA-N -1 0 313.232 -0.447 20 0 DBADRM O=C([N-]OC1CCCCC1)C(=O)NCCC1CS(=O)(=O)C1 ZINC001324107828 806943873 /nfs/dbraw/zinc/94/38/73/806943873.db2.gz RUMZKQGIKDVCJS-UHFFFAOYSA-N -1 0 318.395 -0.082 20 0 DBADRM COCCOCCS(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001324191349 806951019 /nfs/dbraw/zinc/95/10/19/806951019.db2.gz GHAOUDKEOAOTAZ-UHFFFAOYSA-N -1 0 324.399 -0.929 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)cnn1C ZINC001324373916 806968544 /nfs/dbraw/zinc/96/85/44/806968544.db2.gz CUAGUHKGEBKQAB-QMMMGPOBSA-N -1 0 300.340 -0.988 20 0 DBADRM C[C@@H]([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)C(F)(F)F ZINC000882200068 806971190 /nfs/dbraw/zinc/97/11/90/806971190.db2.gz ZHXXUUFZUQOLLO-ZCFIWIBFSA-N -1 0 312.335 -0.252 20 0 DBADRM CC[C@H]([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)C(F)F ZINC000882225235 806971697 /nfs/dbraw/zinc/97/16/97/806971697.db2.gz AQVASZSCKOLLQK-ZETCQYMHSA-N -1 0 308.372 -0.159 20 0 DBADRM O=S(=O)(c1ccccc1[O-])N1CC2(C1)CS(=O)(=O)C2 ZINC000882292622 806975966 /nfs/dbraw/zinc/97/59/66/806975966.db2.gz MFXJKCAGIXWQIF-UHFFFAOYSA-N -1 0 303.361 -0.189 20 0 DBADRM CC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(OC)OC ZINC000882347558 806978240 /nfs/dbraw/zinc/97/82/40/806978240.db2.gz DKOSFHRCOJPSJA-NTCNTBNZSA-N -1 0 317.433 -0.207 20 0 DBADRM CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(OC)OC ZINC000882347557 806978390 /nfs/dbraw/zinc/97/83/90/806978390.db2.gz DKOSFHRCOJPSJA-DCXZOGHSSA-N -1 0 317.433 -0.207 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@H]1CC(=O)N(CC2CC2)C1 ZINC000882858659 807004039 /nfs/dbraw/zinc/00/40/39/807004039.db2.gz LUIHOTZFRMOENS-VIFPVBQESA-N -1 0 309.413 -0.441 20 0 DBADRM Cc1nocc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035493228 814957947 /nfs/dbraw/zinc/95/79/47/814957947.db2.gz DWUMKJZOWXMVBL-VIFPVBQESA-N -1 0 322.325 -0.562 20 0 DBADRM C[C@H](C(=O)N[N-]C(=O)c1n[nH]c2c1CCCC2)n1cncn1 ZINC000029781597 803758446 /nfs/dbraw/zinc/75/84/46/803758446.db2.gz INAQIMFNPWJICI-MRVPVSSYSA-N -1 0 303.326 -0.098 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)C1 ZINC000035680401 803758698 /nfs/dbraw/zinc/75/86/98/803758698.db2.gz PQFUWULDQQJFDS-VXGBXAGGSA-N -1 0 319.427 -0.089 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000037247709 803760331 /nfs/dbraw/zinc/76/03/31/803760331.db2.gz ZJYPLUCOJORDLD-UHFFFAOYSA-N -1 0 304.299 -0.110 20 0 DBADRM C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCC(=O)[O-] ZINC000037838814 803760487 /nfs/dbraw/zinc/76/04/87/803760487.db2.gz KMVSOQYIBQNCQL-JTQLQIEISA-N -1 0 323.392 -0.697 20 0 DBADRM CN(C)C(=O)CNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000037208289 803760705 /nfs/dbraw/zinc/76/07/05/803760705.db2.gz NWSBVNTYLWNBAJ-UHFFFAOYSA-N -1 0 316.335 -0.484 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000037993833 803760874 /nfs/dbraw/zinc/76/08/74/803760874.db2.gz LKTVPXHOURWMJX-JTQLQIEISA-N -1 0 306.384 -0.020 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC(N2CCNC2=O)CC1 ZINC000037837809 803761052 /nfs/dbraw/zinc/76/10/52/803761052.db2.gz OUTVUJBTTPAEGU-UHFFFAOYSA-N -1 0 319.383 -0.329 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2COCCO2)ccc1O ZINC000038061214 803761139 /nfs/dbraw/zinc/76/11/39/803761139.db2.gz FKGRKRKLUNEJBA-MRVPVSSYSA-N -1 0 317.319 -0.216 20 0 DBADRM CC(C)(NC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000040911799 803761846 /nfs/dbraw/zinc/76/18/46/803761846.db2.gz KQSIGVHLYCAGDL-UHFFFAOYSA-N -1 0 315.351 -0.004 20 0 DBADRM CCN(CC(=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000040537229 803762125 /nfs/dbraw/zinc/76/21/25/803762125.db2.gz FDDKGYWCAAWNQF-UHFFFAOYSA-N -1 0 315.351 -0.050 20 0 DBADRM CCCCN1CCc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001278218863 803768634 /nfs/dbraw/zinc/76/86/34/803768634.db2.gz XCGSGCUQCNVUJP-UHFFFAOYSA-N -1 0 304.358 -0.234 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000048445685 803774134 /nfs/dbraw/zinc/77/41/34/803774134.db2.gz ZREOWOAQUIMEKU-SSDOTTSWSA-N -1 0 316.335 -0.188 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]NC(=O)[C@H]2CCCO2)c1Cl ZINC000048654110 803775232 /nfs/dbraw/zinc/77/52/32/803775232.db2.gz GXRHGNMTMUJIOP-ZCFIWIBFSA-N -1 0 308.747 -0.438 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@H]1CC12CC2 ZINC001035520528 814965919 /nfs/dbraw/zinc/96/59/19/814965919.db2.gz CZDYCRFJIIILFQ-VHSXEESVSA-N -1 0 307.354 -0.373 20 0 DBADRM O=C([O-])c1ccc(Cl)c(S(=O)(=O)NC(CO)CO)c1 ZINC000087750813 803799951 /nfs/dbraw/zinc/79/99/51/803799951.db2.gz UPAMNXODZANAPB-UHFFFAOYSA-N -1 0 309.727 -0.330 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)cn1C ZINC000111800727 803807637 /nfs/dbraw/zinc/80/76/37/803807637.db2.gz BMSCQKDQOKETBV-UHFFFAOYSA-N -1 0 317.367 -0.017 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NCC[C@@H](C)C(=O)[O-])cn1C ZINC000128919459 803813126 /nfs/dbraw/zinc/81/31/26/803813126.db2.gz WZJXAEKOSOIXNB-MRVPVSSYSA-N -1 0 317.367 -0.226 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)NCC[C@@H](C)C(=O)[O-])CC1 ZINC000128919964 803813248 /nfs/dbraw/zinc/81/32/48/803813248.db2.gz TUWAXDXVJRRMRI-SECBINFHSA-N -1 0 322.383 -0.183 20 0 DBADRM COC[C@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000158342977 803822304 /nfs/dbraw/zinc/82/23/04/803822304.db2.gz DNADGLNOQUUCSA-JTQLQIEISA-N -1 0 301.343 -0.404 20 0 DBADRM CC(C)N(C)S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275362813 803834168 /nfs/dbraw/zinc/83/41/68/803834168.db2.gz XPVLOHIJDSMYSC-JTQLQIEISA-N -1 0 304.372 -0.410 20 0 DBADRM CC(C)N(C)S(=O)(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000282286571 803834941 /nfs/dbraw/zinc/83/49/41/803834941.db2.gz WBRPKXVQUNCJAW-UHFFFAOYSA-N -1 0 312.355 -0.048 20 0 DBADRM C[C@H]1CCCN(S(=O)(=O)CCS(C)(=O)=O)[C@H]1C(=O)[O-] ZINC000300271321 803836382 /nfs/dbraw/zinc/83/63/82/803836382.db2.gz IOVQFFLMGZYBTL-DTWKUNHWSA-N -1 0 313.397 -0.454 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CS(=O)(=O)C1 ZINC000379942788 803851893 /nfs/dbraw/zinc/85/18/93/803851893.db2.gz YAOIGRWPRPRXIW-UHFFFAOYSA-N -1 0 319.360 -0.231 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC)C(N)=O ZINC000379306521 803852240 /nfs/dbraw/zinc/85/22/40/803852240.db2.gz VDVZHJNAFMJXRL-MRVPVSSYSA-N -1 0 316.335 -0.064 20 0 DBADRM NC(=O)C1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1 ZINC000381932113 803853399 /nfs/dbraw/zinc/85/33/99/803853399.db2.gz ZXXRYLIQKGRNGI-UHFFFAOYSA-N -1 0 300.292 -0.804 20 0 DBADRM NS(=O)(=O)c1cccc(S(=O)(=O)NC/C=C\C(=O)[O-])c1 ZINC000383542090 803853848 /nfs/dbraw/zinc/85/38/48/803853848.db2.gz DYUDOYRHGSPJPW-DJWKRKHSSA-N -1 0 320.348 -0.747 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1coc(Br)c1 ZINC000383077604 803854966 /nfs/dbraw/zinc/85/49/66/803854966.db2.gz HRCFGZQUUFCGMZ-UHFFFAOYSA-N -1 0 305.084 -0.027 20 0 DBADRM C[C@@H](O)[C@@H](CO)NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000387463858 803856687 /nfs/dbraw/zinc/85/66/87/803856687.db2.gz QPQFEFWWHDCADO-BXKDBHETSA-N -1 0 317.363 -0.276 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCc1cnn(C)n1 ZINC000389832156 803859089 /nfs/dbraw/zinc/85/90/89/803859089.db2.gz ISGAGZILNQVVAS-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@]2(CO)CCOC2)cc1 ZINC000393873927 803860533 /nfs/dbraw/zinc/86/05/33/803860533.db2.gz TUWHVYRNDVSPMM-LBPRGKRZSA-N -1 0 301.320 -0.186 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2CC[C@@H](O)[C@H](CO)C2)c1 ZINC000396894506 803862067 /nfs/dbraw/zinc/86/20/67/803862067.db2.gz RXYUOVNJBPKZFY-CMPLNLGQSA-N -1 0 315.347 -0.251 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC000396695383 803862391 /nfs/dbraw/zinc/86/23/91/803862391.db2.gz WLERVJZWFPBRAZ-NSHDSACASA-N -1 0 311.338 -1.000 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)NC[C@@H]2CNC(=O)C2)c1 ZINC000398340450 803862726 /nfs/dbraw/zinc/86/27/26/803862726.db2.gz DGGLEPUTVARFNF-ZETCQYMHSA-N -1 0 316.310 -0.062 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H](O)[C@H](CO)C2)cc1 ZINC000396901606 803863435 /nfs/dbraw/zinc/86/34/35/803863435.db2.gz XAJNYNOXVYSFLP-CMPLNLGQSA-N -1 0 315.347 -0.251 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CS1 ZINC000397881431 803863484 /nfs/dbraw/zinc/86/34/84/803863484.db2.gz KQNHSAKYDPSWSX-DTWKUNHWSA-N -1 0 301.368 -0.181 20 0 DBADRM Cn1nnc(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000398051594 803863523 /nfs/dbraw/zinc/86/35/23/803863523.db2.gz DQYMNHGRRTULMD-UHFFFAOYSA-N -1 0 315.286 -0.474 20 0 DBADRM CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)CCS(C)(=O)=O ZINC000399699793 803863946 /nfs/dbraw/zinc/86/39/46/803863946.db2.gz BWUGVKUWAGBEHL-IUCAKERBSA-N -1 0 315.413 -0.304 20 0 DBADRM C[C@H]1COCCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000399105096 803864081 /nfs/dbraw/zinc/86/40/81/803864081.db2.gz GPHLKQUXKYQKAR-MNOVXSKESA-N -1 0 306.384 -0.004 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000399271631 803864234 /nfs/dbraw/zinc/86/42/34/803864234.db2.gz WXBNWDXFROLURR-VIFPVBQESA-N -1 0 304.368 -0.266 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2ncc[n-]2)C1 ZINC000400256517 803865010 /nfs/dbraw/zinc/86/50/10/803865010.db2.gz QJUWTBPLRMNBHN-QMMMGPOBSA-N -1 0 308.385 -0.888 20 0 DBADRM CC[C@H](C)C[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000400409890 803865238 /nfs/dbraw/zinc/86/52/38/803865238.db2.gz VVRXSWVHFLSAGP-DTWKUNHWSA-N -1 0 315.413 -0.160 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000405411594 803866418 /nfs/dbraw/zinc/86/64/18/803866418.db2.gz UMRVUHIVTMJTKZ-VIFPVBQESA-N -1 0 313.397 -0.549 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000558718494 803874414 /nfs/dbraw/zinc/87/44/14/803874414.db2.gz ZEAYZLJXHPUIRC-MWLCHTKSSA-N -1 0 323.367 -0.573 20 0 DBADRM Cc1cc(C)n2[n-]c(=NC(=O)NCC[C@@]3(O)CCOC3)nc2n1 ZINC000650367064 803897855 /nfs/dbraw/zinc/89/78/55/803897855.db2.gz YFAMCEMEQLHOQN-CQSZACIVSA-N -1 0 320.353 -0.174 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000650388653 803898727 /nfs/dbraw/zinc/89/87/27/803898727.db2.gz YFSCGYCDJLXEKL-ZCFIWIBFSA-N -1 0 314.241 -0.176 20 0 DBADRM COC1(C[C@@H](NS(=O)(=O)N2CCOCC2)C(=O)[O-])CCC1 ZINC000650432220 803899275 /nfs/dbraw/zinc/89/92/75/803899275.db2.gz QYOSKPRQITXCQB-SNVBAGLBSA-N -1 0 322.383 -0.435 20 0 DBADRM O=C([O-])C12CC(C1)CN2C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000694766027 803908870 /nfs/dbraw/zinc/90/88/70/803908870.db2.gz WKALWSYUMKKRDR-XEVUQIKYSA-N -1 0 319.404 -0.018 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)CCS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000693468901 803909293 /nfs/dbraw/zinc/90/92/93/803909293.db2.gz GQMGBJMALHFQFE-DTWKUNHWSA-N -1 0 313.397 -0.597 20 0 DBADRM CN(C(=O)N[C@H]1CC=C(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000694953762 803909981 /nfs/dbraw/zinc/90/99/81/803909981.db2.gz NRKTXLXKIAWHPP-UWVGGRQHSA-N -1 0 302.352 -0.012 20 0 DBADRM Cn1c(Cl)ncc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000696426302 803910682 /nfs/dbraw/zinc/91/06/82/803910682.db2.gz DQPADTMOZOWIPQ-UHFFFAOYSA-N -1 0 300.702 -0.558 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC000702986603 803915526 /nfs/dbraw/zinc/91/55/26/803915526.db2.gz ALXDFQVLUYXTJO-VIFPVBQESA-N -1 0 300.340 -0.307 20 0 DBADRM C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000707285735 803917398 /nfs/dbraw/zinc/91/73/98/803917398.db2.gz DKFINDORKAYIHZ-SSDOTTSWSA-N -1 0 302.308 -0.123 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H]1CCN1C ZINC000710123457 803919923 /nfs/dbraw/zinc/91/99/23/803919923.db2.gz PJOFZJOOMLMLIF-SSDOTTSWSA-N -1 0 305.381 -0.088 20 0 DBADRM O=C([O-])c1cnc(CNC(=O)CN2CSCC2=O)s1 ZINC000720691262 803927460 /nfs/dbraw/zinc/92/74/60/803927460.db2.gz GKPCUKCNJGUBDV-UHFFFAOYSA-N -1 0 301.349 -0.010 20 0 DBADRM CS(=O)(=O)Nc1cccc(CC(=O)NCc2nnn[n-]2)c1 ZINC000737167579 803932991 /nfs/dbraw/zinc/93/29/91/803932991.db2.gz DHSSGOVMCZKWGO-UHFFFAOYSA-N -1 0 310.339 -0.570 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000737615501 803934206 /nfs/dbraw/zinc/93/42/06/803934206.db2.gz ATLZJHXXZQPKCC-NXEZZACHSA-N -1 0 306.384 -0.117 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000737953989 803936255 /nfs/dbraw/zinc/93/62/55/803936255.db2.gz VKNQQVGBYYRCEB-VIFPVBQESA-N -1 0 307.372 -0.952 20 0 DBADRM CC(C)N1C[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1=O ZINC000737830694 803936287 /nfs/dbraw/zinc/93/62/87/803936287.db2.gz JZAUICKVNBXXDP-SECBINFHSA-N -1 0 318.337 -0.803 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)CSC(F)(F)F)CC1 ZINC000738516387 803938332 /nfs/dbraw/zinc/93/83/32/803938332.db2.gz COLXEQJXWIBBDL-UHFFFAOYSA-N -1 0 300.258 -0.005 20 0 DBADRM C[C@H](NC(=O)CN1CC[C@@H](CNC(=O)[O-])C1)C(=O)N(C)C ZINC000738962944 803938523 /nfs/dbraw/zinc/93/85/23/803938523.db2.gz UWZRWWNYTOZEBD-UWVGGRQHSA-N -1 0 300.359 -0.831 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)NCC(=O)NC2CC2)ccc1F ZINC000739294658 803940965 /nfs/dbraw/zinc/94/09/65/803940965.db2.gz ZNRLOPYJQZGMJW-UHFFFAOYSA-N -1 0 323.280 -0.143 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000739313754 803941435 /nfs/dbraw/zinc/94/14/35/803941435.db2.gz STMUFRCHIXNVOJ-FIKIJFGZSA-N -1 0 319.427 -0.055 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000739584892 803941744 /nfs/dbraw/zinc/94/17/44/803941744.db2.gz SXMLXSBENRSLPO-VIFPVBQESA-N -1 0 310.310 -0.450 20 0 DBADRM COCCN(CC(=O)NC1CCC(C(N)=O)CC1)C(=O)[O-] ZINC000739818635 803942486 /nfs/dbraw/zinc/94/24/86/803942486.db2.gz KGKJPFXVGXDVMS-UHFFFAOYSA-N -1 0 301.343 -0.227 20 0 DBADRM COCCN(CC(=O)N1CCNC(=O)[C@@H]1C(C)C)C(=O)[O-] ZINC000739824416 803942720 /nfs/dbraw/zinc/94/27/20/803942720.db2.gz WWOUGYJDNYXVDF-NSHDSACASA-N -1 0 301.343 -0.404 20 0 DBADRM CNC(=O)CC(=O)N[C@H](C)[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001280270879 803944138 /nfs/dbraw/zinc/94/41/38/803944138.db2.gz NRJBFAWOLUIQLX-RNFRBKRXSA-N -1 0 311.342 -0.817 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)OCC1CCOCC1 ZINC000740371469 803946051 /nfs/dbraw/zinc/94/60/51/803946051.db2.gz ZKAMOIWTETUMCD-UHFFFAOYSA-N -1 0 300.311 -0.222 20 0 DBADRM O=C([O-])NC[C@H]1CCN(Cn2nnn(-c3ccccc3)c2=O)C1 ZINC000740646686 803947196 /nfs/dbraw/zinc/94/71/96/803947196.db2.gz PGFBPZDHNUWCRO-LLVKDONJSA-N -1 0 318.337 -0.024 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)C2=COCCC2)cc1C(N)=O ZINC000740758409 803947984 /nfs/dbraw/zinc/94/79/84/803947984.db2.gz IVZKWOMDWYSQHC-UHFFFAOYSA-N -1 0 313.335 -0.377 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCCOC[C@@H]1CCCO1 ZINC000741322663 803957515 /nfs/dbraw/zinc/95/75/15/803957515.db2.gz VRAVGGKWBLRISM-JTQLQIEISA-N -1 0 322.321 -0.190 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)COC)C(C)C ZINC000741442148 803958744 /nfs/dbraw/zinc/95/87/44/803958744.db2.gz JSIMDIYBINFZRM-NSHDSACASA-N -1 0 324.399 -0.744 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)NCCC(N)=O)cc2[n-]c1=S ZINC000742184656 803965187 /nfs/dbraw/zinc/96/51/87/803965187.db2.gz XSCGQRCSECVFEJ-UHFFFAOYSA-N -1 0 306.347 -0.173 20 0 DBADRM Cc1cc(C(=O)NCC[S@](C)=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000742251426 803965922 /nfs/dbraw/zinc/96/59/22/803965922.db2.gz MQOJKMDGYBSZBI-NRFANRHFSA-N -1 0 310.335 -0.147 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C1CC=CC1 ZINC001280508743 803966784 /nfs/dbraw/zinc/96/67/84/803966784.db2.gz AXGNPLLHCYLTAO-QMMMGPOBSA-N -1 0 321.337 -0.174 20 0 DBADRM CC[C@@H](C)[C@@](C)(O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000743483086 803980009 /nfs/dbraw/zinc/98/00/09/803980009.db2.gz XEKNNCZFCKESEY-OTYXRUKQSA-N -1 0 307.354 -0.016 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)CC(F)(F)F)CCC1 ZINC000744263748 803988316 /nfs/dbraw/zinc/98/83/16/803988316.db2.gz OZLRYCYJMDZZNQ-UHFFFAOYSA-N -1 0 302.274 -0.089 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000744241239 803988693 /nfs/dbraw/zinc/98/86/93/803988693.db2.gz DEEZUDIXYMYCBN-MRVPVSSYSA-N -1 0 303.340 -0.289 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)c(F)c1 ZINC000745965846 804008677 /nfs/dbraw/zinc/00/86/77/804008677.db2.gz YCXNYOSXCGTPAZ-UHFFFAOYSA-N -1 0 309.340 -0.016 20 0 DBADRM O=C(COc1ccc(O)cc1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000746235951 804012491 /nfs/dbraw/zinc/01/24/91/804012491.db2.gz AXHIJIVYMINNKH-NSHDSACASA-N -1 0 305.294 -0.116 20 0 DBADRM CCN(CC(=O)NC)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000746259632 804013829 /nfs/dbraw/zinc/01/38/29/804013829.db2.gz RYZSYHADAXUUCV-UHFFFAOYSA-N -1 0 319.321 -0.047 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)CCCF)ccc1=O ZINC000747133392 804024028 /nfs/dbraw/zinc/02/40/28/804024028.db2.gz AFGLPJXSTVQBJI-UHFFFAOYSA-N -1 0 320.342 -0.086 20 0 DBADRM NC(=O)c1ccc(OCC(=O)[N-]S(=O)(=O)CCCF)cc1 ZINC000747134795 804024421 /nfs/dbraw/zinc/02/44/21/804024421.db2.gz CQOHTQFPNMCMEL-UHFFFAOYSA-N -1 0 318.326 -0.030 20 0 DBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)CCCF)CC1=O ZINC000747133818 804024546 /nfs/dbraw/zinc/02/45/46/804024546.db2.gz IRMQJDDZBUNIKJ-SECBINFHSA-N -1 0 310.347 -0.713 20 0 DBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CCCF)C(C)C ZINC000747133867 804024712 /nfs/dbraw/zinc/02/47/12/804024712.db2.gz KLCBNBXDJSCLEF-JTQLQIEISA-N -1 0 312.363 -0.421 20 0 DBADRM CCCC(=O)NCCC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001280850869 804027259 /nfs/dbraw/zinc/02/72/59/804027259.db2.gz OZSQQGWQWHGBOP-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC000747659329 804029876 /nfs/dbraw/zinc/02/98/76/804029876.db2.gz NVYGNEBHCXFRTO-UHFFFAOYSA-N -1 0 302.356 -0.469 20 0 DBADRM Cc1noc(C)c1CCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747751039 804031352 /nfs/dbraw/zinc/03/13/52/804031352.db2.gz DDGVBYOTRZIMCE-UHFFFAOYSA-N -1 0 317.367 -0.083 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)[N-]O[C@H]1CCCCO1 ZINC000747906770 804033888 /nfs/dbraw/zinc/03/38/88/804033888.db2.gz AEFDYDMGLLNSIV-LBPRGKRZSA-N -1 0 324.399 -0.095 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000748298534 804037443 /nfs/dbraw/zinc/03/74/43/804037443.db2.gz XBHMSGJVJMNFKB-JSGCOSHPSA-N -1 0 315.329 -0.299 20 0 DBADRM COCCO[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000748769829 804043292 /nfs/dbraw/zinc/04/32/92/804043292.db2.gz HTLSODYAPHDFMF-LBPRGKRZSA-N -1 0 306.322 -0.199 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C)cn1 ZINC000749218131 804047451 /nfs/dbraw/zinc/04/74/51/804047451.db2.gz VUCNSLPFMWRBOW-UHFFFAOYSA-N -1 0 316.383 -0.130 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCN2CCCC2=O)cn1 ZINC000749226628 804047571 /nfs/dbraw/zinc/04/75/71/804047571.db2.gz LRZZTNQYROMQJH-UHFFFAOYSA-N -1 0 314.367 -0.280 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)[N-]O[C@@H]1CCCCO1)c2=O ZINC000749399592 804050053 /nfs/dbraw/zinc/05/00/53/804050053.db2.gz MEFVLIREEVOBMF-LLVKDONJSA-N -1 0 307.310 -0.296 20 0 DBADRM CC(C)CO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000750229649 804059158 /nfs/dbraw/zinc/05/91/58/804059158.db2.gz RHEBAUXAUFCLGQ-SECBINFHSA-N -1 0 304.372 -0.209 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C=C1CCC1 ZINC001281032460 804060440 /nfs/dbraw/zinc/06/04/40/804060440.db2.gz OTMADFDBIABHPI-SECBINFHSA-N -1 0 323.353 -0.237 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H](C)c1cnn(C)c1 ZINC000750709389 804064503 /nfs/dbraw/zinc/06/45/03/804064503.db2.gz WPICPDWGSAUHFO-VIFPVBQESA-N -1 0 317.367 -0.077 20 0 DBADRM Cc1nc(CC(=O)[N-]S(=O)(=O)N2CCOCC2)cs1 ZINC000750723941 804064877 /nfs/dbraw/zinc/06/48/77/804064877.db2.gz FHJOCAKSGVDXLI-UHFFFAOYSA-N -1 0 305.381 -0.313 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCc2ccccc21)[C@H]1COCCO1 ZINC000750883666 804067692 /nfs/dbraw/zinc/06/76/92/804067692.db2.gz VKAHXDPNGNTOLK-GFCCVEGCSA-N -1 0 312.347 -0.175 20 0 DBADRM CN(CC(=O)NCc1ccco1)C(=O)c1cnc([O-])n(C)c1=O ZINC000751565168 804077559 /nfs/dbraw/zinc/07/75/59/804077559.db2.gz DYFGFLUSRFRSHZ-UHFFFAOYSA-N -1 0 320.305 -0.533 20 0 DBADRM CCOCCC(=O)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC ZINC000751839175 804081071 /nfs/dbraw/zinc/08/10/71/804081071.db2.gz JOTOTJBPKPSKRV-JTQLQIEISA-N -1 0 322.383 -0.199 20 0 DBADRM COC(=O)CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC000752428101 804087858 /nfs/dbraw/zinc/08/78/58/804087858.db2.gz AKQYESCYFNWQRK-UHFFFAOYSA-N -1 0 305.294 -0.765 20 0 DBADRM C[C@@H](O)C[C@@H]1CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000752519819 804089997 /nfs/dbraw/zinc/08/99/97/804089997.db2.gz UPJCGDIZQDVGBZ-ZJUUUORDSA-N -1 0 305.338 -0.167 20 0 DBADRM C[C@@H](O)C[C@H]1CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000752519810 804090262 /nfs/dbraw/zinc/09/02/62/804090262.db2.gz UPJCGDIZQDVGBZ-NXEZZACHSA-N -1 0 305.338 -0.167 20 0 DBADRM O=C(NC[C@H]1CN(CCO)CCO1)c1ccc2oc(=O)nc-2[n-]1 ZINC001035578774 814990235 /nfs/dbraw/zinc/99/02/35/814990235.db2.gz ZHFZKGNLHWHUII-VIFPVBQESA-N -1 0 322.321 -0.649 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000753944585 804112959 /nfs/dbraw/zinc/11/29/59/804112959.db2.gz ADPMOKLQKBYMMB-UHFFFAOYSA-N -1 0 300.292 -0.982 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000754025372 804115354 /nfs/dbraw/zinc/11/53/54/804115354.db2.gz FLTZRCUJZDPACV-UHFFFAOYSA-N -1 0 313.379 -0.178 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)C1CCCC1 ZINC000754743911 804126179 /nfs/dbraw/zinc/12/61/79/804126179.db2.gz VJLQRZCPVBIUKD-UHFFFAOYSA-N -1 0 324.424 -0.199 20 0 DBADRM CN(C[C@@H]1CCC[C@H]1O)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000755234275 804134574 /nfs/dbraw/zinc/13/45/74/804134574.db2.gz ZCLIXROASJFFQT-GXSJLCMTSA-N -1 0 305.338 -0.309 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000755530407 804137013 /nfs/dbraw/zinc/13/70/13/804137013.db2.gz NRNCDXPPDNWQEN-PSASIEDQSA-N -1 0 319.321 -0.661 20 0 DBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C)s1 ZINC000755864671 804141787 /nfs/dbraw/zinc/14/17/87/804141787.db2.gz ANLPFHNASGKZOB-ZETCQYMHSA-N -1 0 303.365 -0.123 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000756242074 804147842 /nfs/dbraw/zinc/14/78/42/804147842.db2.gz BHWGEXNOHDAJSL-UHFFFAOYSA-N -1 0 314.367 -0.416 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cccc(-n2ccnn2)c1 ZINC000756563455 804151621 /nfs/dbraw/zinc/15/16/21/804151621.db2.gz PCRJUQDBDRGUQO-UHFFFAOYSA-N -1 0 310.335 -0.027 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1C ZINC000757341166 804163126 /nfs/dbraw/zinc/16/31/26/804163126.db2.gz SVKSREYLDZDGHN-UHFFFAOYSA-N -1 0 304.372 -0.410 20 0 DBADRM C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000757622980 804165030 /nfs/dbraw/zinc/16/50/30/804165030.db2.gz FOQRWWFWGOQTPI-LURJTMIESA-N -1 0 313.314 -0.074 20 0 DBADRM COC[C@]1(C)CN(S(=O)(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CCO1 ZINC001465116775 804166550 /nfs/dbraw/zinc/16/65/50/804166550.db2.gz ZVQHWKKVEUCIKL-UMNHJUIQSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758580579 804190293 /nfs/dbraw/zinc/19/02/93/804190293.db2.gz YMRMGRSAUJQGGY-QMMMGPOBSA-N -1 0 324.318 -0.307 20 0 DBADRM CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758556859 804190782 /nfs/dbraw/zinc/19/07/82/804190782.db2.gz GBKRYJXMJRBSKY-UHFFFAOYSA-N -1 0 314.367 -0.166 20 0 DBADRM Cn1nnc2cc(C(=O)[N-]S(=O)(=O)c3cnccn3)ccc21 ZINC000758578469 804190899 /nfs/dbraw/zinc/19/08/99/804190899.db2.gz MNOKRWGCDPQWIQ-UHFFFAOYSA-N -1 0 318.318 -0.123 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCCCS(N)(=O)=O ZINC000759104829 804198862 /nfs/dbraw/zinc/19/88/62/804198862.db2.gz PBYWIAGVUKRKGA-UHFFFAOYSA-N -1 0 320.289 -0.335 20 0 DBADRM CCC(CC)CS(=O)(=O)[N-]C(=O)CN(C)C(=O)COC ZINC000759335010 804201593 /nfs/dbraw/zinc/20/15/93/804201593.db2.gz ITPCBZDTJXPZQX-UHFFFAOYSA-N -1 0 308.400 -0.027 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1)C(=O)C1CC1 ZINC000759304443 804201984 /nfs/dbraw/zinc/20/19/84/804201984.db2.gz XBUABRDXOCMFBC-LLVKDONJSA-N -1 0 318.395 -0.130 20 0 DBADRM CO[C@@](C)(C(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1F ZINC000759642891 804206045 /nfs/dbraw/zinc/20/60/45/804206045.db2.gz GYDIJQHURXNCTI-GFCCVEGCSA-N -1 0 318.326 -0.381 20 0 DBADRM COC[C@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C(N)=O ZINC000760078363 804219316 /nfs/dbraw/zinc/21/93/16/804219316.db2.gz JUFILVRWSKFSAQ-LBPRGKRZSA-N -1 0 318.333 -0.296 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2cc(C(N)=O)[nH]n2)nc1Cl ZINC000760154078 804221756 /nfs/dbraw/zinc/22/17/56/804221756.db2.gz QBJGAJNSBIZIMF-UHFFFAOYSA-N -1 0 304.719 -0.304 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)co1 ZINC000760274306 804222548 /nfs/dbraw/zinc/22/25/48/804222548.db2.gz IIMFNWSWCBVZFQ-QMMMGPOBSA-N -1 0 302.308 -0.383 20 0 DBADRM CC1(Cn2cc(C(=O)[N-]S(=O)(=O)CCCF)nn2)COC1 ZINC000760219118 804223170 /nfs/dbraw/zinc/22/31/70/804223170.db2.gz JSECKAZAINCOLS-UHFFFAOYSA-N -1 0 320.346 -0.266 20 0 DBADRM COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1 ZINC000760219263 804223300 /nfs/dbraw/zinc/22/33/00/804223300.db2.gz OGYQTBPMGLCBTQ-JTQLQIEISA-N -1 0 314.319 -0.283 20 0 DBADRM COC[C@@](C)(O)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760392340 804223813 /nfs/dbraw/zinc/22/38/13/804223813.db2.gz HIIUXRXJXYAOLG-JTQLQIEISA-N -1 0 300.277 -0.043 20 0 DBADRM C[C@](O)(CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(F)(F)F ZINC000761058747 804233192 /nfs/dbraw/zinc/23/31/92/804233192.db2.gz CFJODCBFOIDZLX-JTQLQIEISA-N -1 0 319.243 -0.499 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000761733826 804241445 /nfs/dbraw/zinc/24/14/45/804241445.db2.gz KCKNTFXKKMVAFN-SECBINFHSA-N -1 0 306.388 -0.520 20 0 DBADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)no1 ZINC000762139520 804244571 /nfs/dbraw/zinc/24/45/71/804244571.db2.gz MFBSFGWNDQSZQR-SECBINFHSA-N -1 0 304.324 -0.156 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762131262 804244821 /nfs/dbraw/zinc/24/48/21/804244821.db2.gz UGBBROTWIQDZOS-SECBINFHSA-N -1 0 308.356 -0.395 20 0 DBADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)no1 ZINC000762139536 804244857 /nfs/dbraw/zinc/24/48/57/804244857.db2.gz MFBSFGWNDQSZQR-VIFPVBQESA-N -1 0 304.324 -0.156 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000762249551 804246922 /nfs/dbraw/zinc/24/69/22/804246922.db2.gz MCHPOJVFOVLIDA-AXFHLTTASA-N -1 0 316.379 -0.096 20 0 DBADRM CO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000762970742 804258583 /nfs/dbraw/zinc/25/85/83/804258583.db2.gz DJEDFOHZJXMQJC-SSDOTTSWSA-N -1 0 301.324 -0.870 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCOC[C@@H]1CCCO1 ZINC000763444707 804267355 /nfs/dbraw/zinc/26/73/55/804267355.db2.gz JKTGXWBSELVBNJ-JTQLQIEISA-N -1 0 322.383 -0.846 20 0 DBADRM C[C@@H]1CC[C@@H](CCC(=O)NCCC(=O)[N-]S(C)(=O)=O)O1 ZINC000763451028 804267716 /nfs/dbraw/zinc/26/77/16/804267716.db2.gz LLFPWQDCYWKFSZ-ZJUUUORDSA-N -1 0 306.384 -0.084 20 0 DBADRM C/C=C(/C)C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001282334441 804268103 /nfs/dbraw/zinc/26/81/03/804268103.db2.gz MZSKSBCLNMAASG-LTAOASPFSA-N -1 0 323.353 -0.239 20 0 DBADRM Cc1cccc(OCC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000763459427 804268936 /nfs/dbraw/zinc/26/89/36/804268936.db2.gz UZMLSWFENBALBJ-UHFFFAOYSA-N -1 0 314.363 -0.044 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000763976512 804276764 /nfs/dbraw/zinc/27/67/64/804276764.db2.gz JLSGOPFSWGTSOU-LLVKDONJSA-N -1 0 324.366 -0.655 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnccn1)c1cc2n(n1)CCCO2 ZINC000764012373 804278035 /nfs/dbraw/zinc/27/80/35/804278035.db2.gz RZLAOZKEOXDNTG-UHFFFAOYSA-N -1 0 309.307 -0.426 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2 ZINC000764014850 804278168 /nfs/dbraw/zinc/27/81/68/804278168.db2.gz CIZKMFMGBMJVNL-UHFFFAOYSA-N -1 0 318.355 -0.782 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CN(C)[C@H]1CCSC1 ZINC000764154620 804279561 /nfs/dbraw/zinc/27/95/61/804279561.db2.gz GFUYPVXOTLQGLU-ZJUUUORDSA-N -1 0 310.441 -0.095 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000764184356 804280153 /nfs/dbraw/zinc/28/01/53/804280153.db2.gz ZLMRDZDUMXSYPY-RKDXNWHRSA-N -1 0 304.368 -0.522 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000764194418 804280229 /nfs/dbraw/zinc/28/02/29/804280229.db2.gz XUURVDAPJPBOAU-OPRDCNLKSA-N -1 0 306.384 -0.241 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2 ZINC000764190117 804280459 /nfs/dbraw/zinc/28/04/59/804280459.db2.gz WVHXYXXQRHCAGR-MRVPVSSYSA-N -1 0 303.340 -0.240 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC000764206298 804280865 /nfs/dbraw/zinc/28/08/65/804280865.db2.gz GKSMZSWXXCRIKK-ONGXEEELSA-N -1 0 306.384 -0.274 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000764217464 804281270 /nfs/dbraw/zinc/28/12/70/804281270.db2.gz NIERTCFXIAINKL-KCJUWKMLSA-N -1 0 322.408 -0.467 20 0 DBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)c1c[nH]c(C(N)=O)c1 ZINC000764306551 804282071 /nfs/dbraw/zinc/28/20/71/804282071.db2.gz AMJGVKZNRQESQL-UHFFFAOYSA-N -1 0 317.367 -0.012 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@]12CCOC2 ZINC000764773256 804288078 /nfs/dbraw/zinc/28/80/78/804288078.db2.gz OTUVXOIROARQCY-BXKDBHETSA-N -1 0 305.352 -0.188 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@]12CCOC2 ZINC000764784705 804289023 /nfs/dbraw/zinc/28/90/23/804289023.db2.gz PSAHVXNFROTLKV-PWSUYJOCSA-N -1 0 307.368 -0.478 20 0 DBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CNC(C)=O)cn1 ZINC000764794475 804289105 /nfs/dbraw/zinc/28/91/05/804289105.db2.gz GZOOPUHHUIUXDW-UHFFFAOYSA-N -1 0 301.324 -0.579 20 0 DBADRM CC(C)(C)OC(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000765487004 804301348 /nfs/dbraw/zinc/30/13/48/804301348.db2.gz KLMPRHPZWXJKQS-UHFFFAOYSA-N -1 0 311.298 -0.368 20 0 DBADRM CC(C)(C)OC(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000765485121 804301872 /nfs/dbraw/zinc/30/18/72/804301872.db2.gz RGOHWLZARDQETP-UHFFFAOYSA-N -1 0 313.314 -0.073 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)s1 ZINC000765583253 804304070 /nfs/dbraw/zinc/30/40/70/804304070.db2.gz JTYSZIAGXKJFKH-UHFFFAOYSA-N -1 0 316.364 -0.543 20 0 DBADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC000765607287 804305060 /nfs/dbraw/zinc/30/50/60/804305060.db2.gz KRDJTYMVCVMEBC-SNVBAGLBSA-N -1 0 324.362 -0.211 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1ccc2nnn(C)c2c1 ZINC000765657939 804306002 /nfs/dbraw/zinc/30/60/02/804306002.db2.gz NOYWVWOEUQENDL-UHFFFAOYSA-N -1 0 320.334 -0.180 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC000765656360 804306012 /nfs/dbraw/zinc/30/60/12/804306012.db2.gz HVBCATHOTWTWNE-UHFFFAOYSA-N -1 0 314.367 -0.469 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CNC(=O)c1ccccc1 ZINC000765655747 804306154 /nfs/dbraw/zinc/30/61/54/804306154.db2.gz GMUCQPYOOURBJB-UHFFFAOYSA-N -1 0 322.346 -0.345 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccnn2C)on1 ZINC000765653088 804306200 /nfs/dbraw/zinc/30/62/00/804306200.db2.gz WTGAMYRBZPAVNQ-UHFFFAOYSA-N -1 0 314.279 -0.687 20 0 DBADRM COC[C@H](O)C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000766150767 804313157 /nfs/dbraw/zinc/31/31/57/804313157.db2.gz XNKWXVMTUGLQTK-VIFPVBQESA-N -1 0 314.319 -0.441 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)nn1 ZINC000766672599 804317810 /nfs/dbraw/zinc/31/78/10/804317810.db2.gz WVXDNZXWKUGWQL-VIFPVBQESA-N -1 0 302.356 -0.216 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)OC)nn1 ZINC000766644480 804317881 /nfs/dbraw/zinc/31/78/81/804317881.db2.gz JVUJWGUNQFDGNX-UHFFFAOYSA-N -1 0 318.355 -0.299 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)CCOCCOC)nn1 ZINC000766662082 804318026 /nfs/dbraw/zinc/31/80/26/804318026.db2.gz PKXSDEUSMUGIEY-UHFFFAOYSA-N -1 0 320.371 -0.589 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]OCC(F)(F)F ZINC000766765517 804318479 /nfs/dbraw/zinc/31/84/79/804318479.db2.gz QWZYXBFIECMSGB-QMMMGPOBSA-N -1 0 311.260 -0.276 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000766897190 804320116 /nfs/dbraw/zinc/32/01/16/804320116.db2.gz HNQZKYBRGNOEJG-GFCCVEGCSA-N -1 0 313.379 -0.252 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2cccnc2)CCC1 ZINC000766909217 804320446 /nfs/dbraw/zinc/32/04/46/804320446.db2.gz FKBKMWUDRLXMCB-UHFFFAOYSA-N -1 0 311.363 -0.056 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(C2OCCO2)c1 ZINC000766910957 804320667 /nfs/dbraw/zinc/32/06/67/804320667.db2.gz REEFXIIPMGFYKW-UHFFFAOYSA-N -1 0 314.319 -0.723 20 0 DBADRM COc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)nc1Cl ZINC000766908605 804321177 /nfs/dbraw/zinc/32/11/77/804321177.db2.gz CQCCDGLMSNIOPT-UHFFFAOYSA-N -1 0 307.715 -0.712 20 0 DBADRM CC[C@@H](Oc1ccccc1F)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766919113 804321319 /nfs/dbraw/zinc/32/13/19/804321319.db2.gz AOHGIWUCBCBGJG-SECBINFHSA-N -1 0 318.326 -0.086 20 0 DBADRM Cc1cc(C)c(OCC(=O)[N-]S(=O)(=O)CC(N)=O)c(C)c1 ZINC000766919377 804321349 /nfs/dbraw/zinc/32/13/49/804321349.db2.gz CTEVIMCAVVTLSA-UHFFFAOYSA-N -1 0 314.363 -0.078 20 0 DBADRM COCCOc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766921427 804321547 /nfs/dbraw/zinc/32/15/47/804321547.db2.gz JVTGJEIJQOKWOK-UHFFFAOYSA-N -1 0 316.335 -0.743 20 0 DBADRM CO[C@](C)(C(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1 ZINC000766921378 804321619 /nfs/dbraw/zinc/32/16/19/804321619.db2.gz FYAFLCKXEFTOCS-LBPRGKRZSA-N -1 0 300.336 -0.521 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C[C@@H]1OCCc2ccccc21 ZINC000766920256 804321868 /nfs/dbraw/zinc/32/18/68/804321868.db2.gz FLRJHMQZGCDSJW-NSHDSACASA-N -1 0 312.347 -0.378 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCOCc1ccccc1 ZINC000766922411 804322181 /nfs/dbraw/zinc/32/21/81/804322181.db2.gz MKFXLMVYSMXJQS-UHFFFAOYSA-N -1 0 300.336 -0.475 20 0 DBADRM COc1ccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766922658 804322276 /nfs/dbraw/zinc/32/22/76/804322276.db2.gz NKLYGBCGWIGSFG-QMMMGPOBSA-N -1 0 316.335 -0.606 20 0 DBADRM Cc1[nH]c2ccccc2c1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766922528 804322462 /nfs/dbraw/zinc/32/24/62/804322462.db2.gz FEEYCKRAOPMWQL-UHFFFAOYSA-N -1 0 309.347 -0.050 20 0 DBADRM CCOc1ccc(OCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766923247 804322472 /nfs/dbraw/zinc/32/24/72/804322472.db2.gz PEVGDUJRBPVERQ-UHFFFAOYSA-N -1 0 316.335 -0.605 20 0 DBADRM CC(=O)c1cccc(OCC(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766924877 804322550 /nfs/dbraw/zinc/32/25/50/804322550.db2.gz WZCUUJQVLCZQOG-UHFFFAOYSA-N -1 0 314.319 -0.801 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)CC(N)=O)cnn1-c1ccccc1 ZINC000766923244 804322621 /nfs/dbraw/zinc/32/26/21/804322621.db2.gz AVYVFLXIYINWMD-UHFFFAOYSA-N -1 0 322.346 -0.274 20 0 DBADRM CCCCn1ncc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1C ZINC000766924701 804322694 /nfs/dbraw/zinc/32/26/94/804322694.db2.gz HNTJAXRYPBYKDI-UHFFFAOYSA-N -1 0 302.356 -0.463 20 0 DBADRM COCCOc1ccccc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766924915 804323284 /nfs/dbraw/zinc/32/32/84/804323284.db2.gz XBXYETCYNQTMIS-UHFFFAOYSA-N -1 0 316.335 -0.743 20 0 DBADRM COc1ccc(CCCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766927789 804323469 /nfs/dbraw/zinc/32/34/69/804323469.db2.gz AFPDSEDWQXKWBC-UHFFFAOYSA-N -1 0 314.363 -0.051 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H](c1ccccc1)n1cccn1 ZINC000766925158 804323535 /nfs/dbraw/zinc/32/35/35/804323535.db2.gz YXMBOXHTTYJWAI-LBPRGKRZSA-N -1 0 322.346 -0.596 20 0 DBADRM COc1cccc([C@@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766926215 804323565 /nfs/dbraw/zinc/32/35/65/804323565.db2.gz HUNBUFFFGBTGAO-MRVPVSSYSA-N -1 0 300.336 -0.270 20 0 DBADRM Cc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)nn1[C@H](C)C1CC1 ZINC000766926243 804323737 /nfs/dbraw/zinc/32/37/37/804323737.db2.gz IAFWDGYZGFYITI-MRVPVSSYSA-N -1 0 314.367 -0.293 20 0 DBADRM Cc1ccccc1-n1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)cn1 ZINC000766926339 804323786 /nfs/dbraw/zinc/32/37/86/804323786.db2.gz NNPOGJPXABDGIQ-UHFFFAOYSA-N -1 0 322.346 -0.274 20 0 DBADRM CC(C)Oc1ccccc1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766930136 804324395 /nfs/dbraw/zinc/32/43/95/804324395.db2.gz XBWPAWGITIOHEU-UHFFFAOYSA-N -1 0 314.363 -0.052 20 0 DBADRM Cc1ccc(-n2cc(C(=O)[N-]S(=O)(=O)CC(N)=O)nn2)cc1 ZINC000766930127 804324447 /nfs/dbraw/zinc/32/44/47/804324447.db2.gz WUBKMIRNOBUIEH-UHFFFAOYSA-N -1 0 323.334 -0.879 20 0 DBADRM COc1ccc(OC)c(C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766928484 804324529 /nfs/dbraw/zinc/32/45/29/804324529.db2.gz FOVOQHAGKXYSPY-UHFFFAOYSA-N -1 0 302.308 -0.751 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000767095897 804325722 /nfs/dbraw/zinc/32/57/22/804325722.db2.gz NMGPXBPLSZSAQQ-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCC(=O)NCCNC(C)=O ZINC000767056746 804326315 /nfs/dbraw/zinc/32/63/15/804326315.db2.gz VLOKZHUKIOWSRM-AWEZNQCLSA-N -1 0 315.370 -0.222 20 0 DBADRM CC(C)=CC(=O)NCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001282895015 804329977 /nfs/dbraw/zinc/32/99/77/804329977.db2.gz PXLBQFSFPNGXAG-UHFFFAOYSA-N -1 0 318.337 -0.730 20 0 DBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000767499165 804331242 /nfs/dbraw/zinc/33/12/42/804331242.db2.gz RDKBVBFCFSEUAZ-UHFFFAOYSA-N -1 0 302.356 -0.253 20 0 DBADRM CC(C)C(=O)NCCN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000768021067 804336897 /nfs/dbraw/zinc/33/68/97/804336897.db2.gz MPMWSRYRELAHLJ-UHFFFAOYSA-N -1 0 320.353 -0.698 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)CCn1cccn1 ZINC000768217752 804337766 /nfs/dbraw/zinc/33/77/66/804337766.db2.gz CQMJKZCWBVHRRY-UHFFFAOYSA-N -1 0 305.356 -0.618 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)CCOCCOC)CCC1 ZINC000768218249 804337904 /nfs/dbraw/zinc/33/79/04/804337904.db2.gz GUCPJPGVRHGIIM-UHFFFAOYSA-N -1 0 322.383 -0.988 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H](C)c1cnn(C)c1 ZINC000768207617 804337911 /nfs/dbraw/zinc/33/79/11/804337911.db2.gz AWFGERORKCQWJR-JTQLQIEISA-N -1 0 319.383 -0.367 20 0 DBADRM CC(=O)N1C[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])Oc2ccccc21 ZINC000769744754 804352610 /nfs/dbraw/zinc/35/26/10/804352610.db2.gz QEGNIXGBGINMMW-IUODEOHRSA-N -1 0 322.317 -0.248 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(C(=O)NC)nc2)C1=O ZINC000769831531 804354320 /nfs/dbraw/zinc/35/43/20/804354320.db2.gz BDJYBCSETRILCX-CQSZACIVSA-N -1 0 319.321 -0.194 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)nc1Cl ZINC000769829900 804354449 /nfs/dbraw/zinc/35/44/49/804354449.db2.gz WLJDROALVGWOPN-UHFFFAOYSA-N -1 0 318.746 -0.444 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc3n[nH]c(=O)n3c2)cn1 ZINC000770095865 804357649 /nfs/dbraw/zinc/35/76/49/804357649.db2.gz FOOPRLQZICKLFP-UHFFFAOYSA-N -1 0 322.306 -0.713 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1ccc2n[nH]c(=O)n2c1 ZINC000770116914 804358382 /nfs/dbraw/zinc/35/83/82/804358382.db2.gz YULLDTRAEJNMSL-UHFFFAOYSA-N -1 0 311.323 -0.495 20 0 DBADRM COc1ncccc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000770138277 804359238 /nfs/dbraw/zinc/35/92/38/804359238.db2.gz AHPUTVRHUGICGF-UHFFFAOYSA-N -1 0 301.324 -0.603 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)nc1C ZINC000770199414 804360119 /nfs/dbraw/zinc/36/01/19/804360119.db2.gz WTGZXZAQQMHEJO-VIFPVBQESA-N -1 0 314.367 -0.457 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCCCCNC(C)=O ZINC000770360150 804362087 /nfs/dbraw/zinc/36/20/87/804362087.db2.gz MXPRLMGJNAJLAT-UHFFFAOYSA-N -1 0 322.383 -0.308 20 0 DBADRM CNC(=O)CCCC(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001282972045 804363304 /nfs/dbraw/zinc/36/33/04/804363304.db2.gz GXDRTBZPVFIERM-UHFFFAOYSA-N -1 0 311.342 -0.814 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)c1cc(=O)[n-]c(OC)n1 ZINC000770519987 804365201 /nfs/dbraw/zinc/36/52/01/804365201.db2.gz WGLUJHZRBVTADP-LURJTMIESA-N -1 0 313.266 -0.975 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2 ZINC000770614735 804366853 /nfs/dbraw/zinc/36/68/53/804366853.db2.gz QIXPLYNTKXFJSQ-LLVKDONJSA-N -1 0 321.424 -0.245 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C ZINC000770617561 804366999 /nfs/dbraw/zinc/36/69/99/804366999.db2.gz LLFMRBCZBILERI-UHFFFAOYSA-N -1 0 302.356 -0.560 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C ZINC000770613405 804367532 /nfs/dbraw/zinc/36/75/32/804367532.db2.gz HGZRCEUUYMTJCP-MRVPVSSYSA-N -1 0 321.428 -0.002 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)[N-]O[C@@H]1CCCCO1 ZINC000770660130 804368554 /nfs/dbraw/zinc/36/85/54/804368554.db2.gz YTPWFYJJDRAXCS-LLVKDONJSA-N -1 0 310.372 -0.483 20 0 DBADRM COc1nccc(C(=O)NCCNC(=O)c2ncccc2O)n1 ZINC001282982608 804368872 /nfs/dbraw/zinc/36/88/72/804368872.db2.gz WILAACALRBOEAO-UHFFFAOYSA-N -1 0 317.305 -0.254 20 0 DBADRM CC(C)(C)C[C@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000770803568 804369702 /nfs/dbraw/zinc/36/97/02/804369702.db2.gz BIXQLZONLQTMDU-SECBINFHSA-N -1 0 307.354 -0.016 20 0 DBADRM Cc1cn(-c2ccccc2)nc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000770913233 804371541 /nfs/dbraw/zinc/37/15/41/804371541.db2.gz OOSHWNAQVRAHIL-UHFFFAOYSA-N -1 0 322.346 -0.274 20 0 DBADRM CCOCCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000772689036 804390917 /nfs/dbraw/zinc/39/09/17/804390917.db2.gz BBZTXADOPDHDCQ-SECBINFHSA-N -1 0 320.371 -0.829 20 0 DBADRM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[N-]OCC(N)=O ZINC000772938265 804394195 /nfs/dbraw/zinc/39/41/95/804394195.db2.gz FJMOXRDHENUZIL-CYBMUJFWSA-N -1 0 318.333 -0.252 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)N(C)CCOC)C1 ZINC000772994498 804395265 /nfs/dbraw/zinc/39/52/65/804395265.db2.gz CNAQTUBCPMJBST-SNVBAGLBSA-N -1 0 321.399 -0.816 20 0 DBADRM O=C(CN1CSCC1=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000773152682 804396032 /nfs/dbraw/zinc/39/60/32/804396032.db2.gz MOSKHPPAFZERSM-ZETCQYMHSA-N -1 0 314.396 -0.651 20 0 DBADRM COC(=O)N(C)CC(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000773156716 804397229 /nfs/dbraw/zinc/39/72/29/804397229.db2.gz CPVSTWOMLJEZJZ-SSDOTTSWSA-N -1 0 300.344 -0.486 20 0 DBADRM CCn1cc(C(=O)C(=O)N2CCSC[C@H]2c2nnn[n-]2)cn1 ZINC000773160764 804397455 /nfs/dbraw/zinc/39/74/55/804397455.db2.gz OHFTWJKFRQPBQS-VIFPVBQESA-N -1 0 321.366 -0.085 20 0 DBADRM COCC[C@]1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCOC1 ZINC000773330108 804400477 /nfs/dbraw/zinc/40/04/77/804400477.db2.gz BIZUYUWCMFYNHG-AWEZNQCLSA-N -1 0 321.337 -0.617 20 0 DBADRM COc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)c1 ZINC000774032643 804412213 /nfs/dbraw/zinc/41/22/13/804412213.db2.gz ZFIZSWFMVBJCCJ-NSHDSACASA-N -1 0 312.347 -0.022 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cc(OC)n(C)n1 ZINC000774094711 804415438 /nfs/dbraw/zinc/41/54/38/804415438.db2.gz IJIVWAVSFHAZPW-UHFFFAOYSA-N -1 0 319.339 -0.559 20 0 DBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)Cc2ccon2)c(=O)c1 ZINC000774122419 804415454 /nfs/dbraw/zinc/41/54/54/804415454.db2.gz LHPALAWBQUUQBC-UHFFFAOYSA-N -1 0 311.319 -0.209 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1coc(COC)n1 ZINC000774209843 804418933 /nfs/dbraw/zinc/41/89/33/804418933.db2.gz YOCYWGRQONFMCE-UHFFFAOYSA-N -1 0 322.339 -0.456 20 0 DBADRM CCc1nc(C(=O)[N-]S(=O)(=O)CCOCCOC)co1 ZINC000774206168 804418966 /nfs/dbraw/zinc/41/89/66/804418966.db2.gz NCKAZPCEYBJMHZ-UHFFFAOYSA-N -1 0 306.340 -0.040 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)COC3)C1=O ZINC000774290543 804420054 /nfs/dbraw/zinc/42/00/54/804420054.db2.gz DGBBHCUBHFGCCJ-LBPRGKRZSA-N -1 0 324.358 0.000 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1)[C@H]1CCSC1 ZINC000774258971 804420761 /nfs/dbraw/zinc/42/07/61/804420761.db2.gz VFYIPVFVXUYXKC-QWRGUYRKSA-N -1 0 322.452 -0.094 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccn(Cc2ccccc2)n1 ZINC000774370693 804421970 /nfs/dbraw/zinc/42/19/70/804421970.db2.gz NOPJCGKAQCWUGI-UHFFFAOYSA-N -1 0 322.346 -0.524 20 0 DBADRM Cc1cc(N2CCC[C@@H](NC(=O)c3cc(=O)[nH][n-]3)C2)n(C)n1 ZINC000774485987 804424219 /nfs/dbraw/zinc/42/42/19/804424219.db2.gz HSMOQVDPCRYUGU-SNVBAGLBSA-N -1 0 304.354 -0.311 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)OCc2n[nH]c(=O)[n-]2)C1 ZINC000774931113 804434591 /nfs/dbraw/zinc/43/45/91/804434591.db2.gz HEWXBKMTCVEIHP-MRVPVSSYSA-N -1 0 318.355 -0.385 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)OCc2n[nH]c(=O)[n-]2)cs1 ZINC000774908259 804434680 /nfs/dbraw/zinc/43/46/80/804434680.db2.gz MVOCNXSKURUFQC-UHFFFAOYSA-N -1 0 304.309 -0.424 20 0 DBADRM O=C(OCc1n[nH]c(=O)[n-]1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000774987877 804435447 /nfs/dbraw/zinc/43/54/47/804435447.db2.gz DESVVJUMRFZAOT-SECBINFHSA-N -1 0 317.305 -0.003 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001283171788 804439485 /nfs/dbraw/zinc/43/94/85/804439485.db2.gz GQPUWLFJEYSEID-RKDXNWHRSA-N -1 0 323.353 -0.506 20 0 DBADRM CCOCCO[N-]C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000775242652 804439867 /nfs/dbraw/zinc/43/98/67/804439867.db2.gz BMEYDBSROBSXBC-NSHDSACASA-N -1 0 315.351 -0.199 20 0 DBADRM CN(CC(C)(C)C(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000776714840 804461808 /nfs/dbraw/zinc/46/18/08/804461808.db2.gz IOLQPUFEJYZETM-UHFFFAOYSA-N -1 0 301.386 -0.597 20 0 DBADRM COc1ncc(C=CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cn1 ZINC000775845225 804447162 /nfs/dbraw/zinc/44/71/62/804447162.db2.gz NYQCHOODQOUMMC-MXQLGCADSA-N -1 0 317.309 -0.388 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cn(-c3ccccc3)nn2)C1=O ZINC000776245296 804452902 /nfs/dbraw/zinc/45/29/02/804452902.db2.gz LVUQRFQMRJCWFG-UHFFFAOYSA-N -1 0 300.278 -0.194 20 0 DBADRM COc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cnc1Cl ZINC000776437793 804456003 /nfs/dbraw/zinc/45/60/03/804456003.db2.gz MSOPEIMBEMZXFE-YLWLKBPMSA-N -1 0 324.742 -0.144 20 0 DBADRM CC[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776445660 804456084 /nfs/dbraw/zinc/45/60/84/804456084.db2.gz ZNOXIKVLZOGURF-VIFPVBQESA-N -1 0 308.356 -0.477 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@H](C(=O)[O-])C2CCOCC2)c1 ZINC000776526270 804456729 /nfs/dbraw/zinc/45/67/29/804456729.db2.gz NZRFYAAFHUDBHO-JTQLQIEISA-N -1 0 303.340 -0.422 20 0 DBADRM CCOCCOCC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000776562763 804458029 /nfs/dbraw/zinc/45/80/29/804458029.db2.gz FHXGVJRUHWPMMI-VIFPVBQESA-N -1 0 301.372 -0.131 20 0 DBADRM C[C@@H](CCCCC(=O)[O-])NS(=O)(=O)CCS(C)(=O)=O ZINC000776561530 804458267 /nfs/dbraw/zinc/45/82/67/804458267.db2.gz NNZZJABJPJACCR-VIFPVBQESA-N -1 0 315.413 -0.016 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001283226459 804459485 /nfs/dbraw/zinc/45/94/85/804459485.db2.gz MAURHPBYCPVMOL-SSDOTTSWSA-N -1 0 309.326 -0.435 20 0 DBADRM O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[N-]OCCO ZINC000776581221 804459741 /nfs/dbraw/zinc/45/97/41/804459741.db2.gz FSEDIUQUEPAANT-HNNXBMFYSA-N -1 0 319.317 -0.580 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)[C@@H]1CCOC1)[C@H](O)c1ccccc1 ZINC000776599856 804460888 /nfs/dbraw/zinc/46/08/88/804460888.db2.gz RBSWKJLKEVCIJI-IJLUTSLNSA-N -1 0 315.347 -0.119 20 0 DBADRM O=C([O-])CCN(CCO)S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000776679414 804461560 /nfs/dbraw/zinc/46/15/60/804461560.db2.gz SPSKPNUBAUKIQI-UHFFFAOYSA-N -1 0 317.367 -0.323 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CSC[C@H]1C(=O)[O-] ZINC000776647464 804461720 /nfs/dbraw/zinc/46/17/20/804461720.db2.gz FWPKEMVJGDBLFR-VIFPVBQESA-N -1 0 310.397 -0.199 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC(OCC(=O)[O-])CC1 ZINC000776695580 804461802 /nfs/dbraw/zinc/46/18/02/804461802.db2.gz MPRVNAJDHWUYHY-UHFFFAOYSA-N -1 0 310.372 -0.625 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000776702292 804461836 /nfs/dbraw/zinc/46/18/36/804461836.db2.gz YVMOTSVBADTNLU-ZCFIWIBFSA-N -1 0 311.747 -0.206 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C1CCOCC1 ZINC000776699277 804461877 /nfs/dbraw/zinc/46/18/77/804461877.db2.gz DRRPQKOLOUWUGM-SNVBAGLBSA-N -1 0 310.372 -0.627 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC(OCC(=O)[O-])CC1 ZINC000776695408 804462053 /nfs/dbraw/zinc/46/20/53/804462053.db2.gz JGUGXANLVNXKNN-SECBINFHSA-N -1 0 323.367 -0.309 20 0 DBADRM O=C(NCCCNC(=O)[C@@H]1CC12CCC2)c1n[nH]c(=O)[n-]c1=O ZINC001283252976 804468412 /nfs/dbraw/zinc/46/84/12/804468412.db2.gz COEPTCHMICAZAV-QMMMGPOBSA-N -1 0 321.337 -0.291 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cnn(C)c2)cc1 ZINC000777343729 804470136 /nfs/dbraw/zinc/47/01/36/804470136.db2.gz CLMSDVWNKHDOJN-UHFFFAOYSA-N -1 0 322.346 -0.102 20 0 DBADRM CS(=O)(=O)c1nc(C(=O)[N-]N2CN=NC2=O)c2ccccn21 ZINC000777768152 804475241 /nfs/dbraw/zinc/47/52/41/804475241.db2.gz AZUWSDNESUDHNM-UHFFFAOYSA-N -1 0 322.306 -0.581 20 0 DBADRM NC(=O)CO[N-]C(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000777824181 804476253 /nfs/dbraw/zinc/47/62/53/804476253.db2.gz XHLLJIYTHXHTCP-UHFFFAOYSA-N -1 0 316.273 -0.324 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777909551 804477289 /nfs/dbraw/zinc/47/72/89/804477289.db2.gz AZPKHTOVLYXALR-MWLCHTKSSA-N -1 0 315.351 -0.498 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-] ZINC000777906959 804477538 /nfs/dbraw/zinc/47/75/38/804477538.db2.gz KJSFCTSBYORBEP-SNVBAGLBSA-N -1 0 303.340 -0.329 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000777951302 804477844 /nfs/dbraw/zinc/47/78/44/804477844.db2.gz WFMGRXIIUNPEKO-SSDOTTSWSA-N -1 0 301.324 -0.436 20 0 DBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777912501 804477887 /nfs/dbraw/zinc/47/78/87/804477887.db2.gz QKRBKYPZCXFZFB-LLVKDONJSA-N -1 0 315.351 -0.233 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cn1 ZINC000778643763 804486585 /nfs/dbraw/zinc/48/65/85/804486585.db2.gz KHFFQCROEZSSDE-MRVPVSSYSA-N -1 0 301.324 -0.276 20 0 DBADRM CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC ZINC000778849527 804490373 /nfs/dbraw/zinc/49/03/73/804490373.db2.gz SRWMDYOKJSOGSU-MRVPVSSYSA-N -1 0 305.356 -0.033 20 0 DBADRM CC1(C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)COC1 ZINC000778904153 804491746 /nfs/dbraw/zinc/49/17/46/804491746.db2.gz RUMNTWLTOQNUGP-UHFFFAOYSA-N -1 0 309.294 -0.010 20 0 DBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)[N-]N1CCCNC1=O ZINC000779055235 804492699 /nfs/dbraw/zinc/49/26/99/804492699.db2.gz FHARKIWOIAMUHI-UHFFFAOYSA-N -1 0 303.326 -0.026 20 0 DBADRM C/C=C(/C)C(=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001283386490 804497626 /nfs/dbraw/zinc/49/76/26/804497626.db2.gz BCABLQBZQSPFQW-USYJTPIQSA-N -1 0 321.337 -0.078 20 0 DBADRM C/C=C(\C)C(=O)N(C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001283386489 804497966 /nfs/dbraw/zinc/49/79/66/804497966.db2.gz BCABLQBZQSPFQW-SGDMMICCSA-N -1 0 321.337 -0.078 20 0 DBADRM CC(=O)[C@@H]1CC(C(=O)N=c2nn[n-]n2C)=NN1c1ccccc1 ZINC000779467649 804498315 /nfs/dbraw/zinc/49/83/15/804498315.db2.gz SNCFKNSSGDSAEA-LBPRGKRZSA-N -1 0 313.321 -0.206 20 0 DBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)CC(C)C)cn1 ZINC000780337228 804513612 /nfs/dbraw/zinc/51/36/12/804513612.db2.gz YILXBUAWWPWRLX-UHFFFAOYSA-N -1 0 301.324 -0.021 20 0 DBADRM CC[C@H](NC(=O)NCc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000780392270 804514627 /nfs/dbraw/zinc/51/46/27/804514627.db2.gz JKJOLVZGAWOPOP-JTQLQIEISA-N -1 0 315.351 -0.004 20 0 DBADRM CC[C@@H](NC(=O)NCc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000780392280 804514840 /nfs/dbraw/zinc/51/48/40/804514840.db2.gz JKJOLVZGAWOPOP-SNVBAGLBSA-N -1 0 315.351 -0.004 20 0 DBADRM O=C(CCCNC(=O)C1CC1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780623134 804517553 /nfs/dbraw/zinc/51/75/53/804517553.db2.gz FAMAASAPWVBPEG-LLVKDONJSA-N -1 0 318.395 -0.082 20 0 DBADRM C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000780695437 804518454 /nfs/dbraw/zinc/51/84/54/804518454.db2.gz SEVAWASGOSTVSD-MRVPVSSYSA-N -1 0 316.339 -0.868 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)N(CC(=O)[O-])C2CC2)C1 ZINC000780695566 804518567 /nfs/dbraw/zinc/51/85/67/804518567.db2.gz SFIIVTFUPRPGIZ-VIFPVBQESA-N -1 0 319.383 -0.474 20 0 DBADRM CC(C)c1nc([C@H]2COCCN2C(=O)c2cc(=O)[nH][n-]2)no1 ZINC000780749040 804520328 /nfs/dbraw/zinc/52/03/28/804520328.db2.gz ALGMNANWKWJRJW-SECBINFHSA-N -1 0 307.310 -0.031 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)on1 ZINC000781471999 804529609 /nfs/dbraw/zinc/52/96/09/804529609.db2.gz UGACMZLKAGXSIF-ZETCQYMHSA-N -1 0 318.307 -0.300 20 0 DBADRM COc1c(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)c(C)nn1C ZINC000781515394 804530805 /nfs/dbraw/zinc/53/08/05/804530805.db2.gz ZNFKLIGSHXJKQX-SECBINFHSA-N -1 0 317.367 -0.024 20 0 DBADRM Cn1ncc2cc(C(=O)[N-]S(=O)(=O)c3cnnn3C)cnc21 ZINC000781728890 804533373 /nfs/dbraw/zinc/53/33/73/804533373.db2.gz JICZIWNBRZYHFD-UHFFFAOYSA-N -1 0 321.322 -0.785 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cccc(Cl)n1 ZINC000781733080 804534310 /nfs/dbraw/zinc/53/43/10/804534310.db2.gz XYDPHPHORSRXQM-UHFFFAOYSA-N -1 0 301.715 -0.018 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)c1cnnn1C)[C@@H]1CCSC1 ZINC000781734479 804534472 /nfs/dbraw/zinc/53/44/72/804534472.db2.gz KBVUAEWJYRCZMJ-MRVPVSSYSA-N -1 0 319.412 -0.943 20 0 DBADRM CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781736481 804534696 /nfs/dbraw/zinc/53/46/96/804534696.db2.gz XPEFALWUDQLVSP-UHFFFAOYSA-N -1 0 317.371 -0.828 20 0 DBADRM COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781734550 804534749 /nfs/dbraw/zinc/53/47/49/804534749.db2.gz MOJBSGKAGJHBQH-UHFFFAOYSA-N -1 0 311.323 -0.354 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001324897733 807014857 /nfs/dbraw/zinc/01/48/57/807014857.db2.gz CEHVZZWZEZYEJX-PHDIDXHHSA-N -1 0 322.243 -0.521 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cccc(NC(N)=O)c1 ZINC000781743051 804535789 /nfs/dbraw/zinc/53/57/89/804535789.db2.gz WFWXDLFBPPDFIT-UHFFFAOYSA-N -1 0 324.322 -0.576 20 0 DBADRM Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)c3cnnn3C)c2n1 ZINC000781742239 804535858 /nfs/dbraw/zinc/53/58/58/804535858.db2.gz WYQSERZAIYHZRD-UHFFFAOYSA-N -1 0 321.322 -0.715 20 0 DBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(C)=O)cn1 ZINC000781857724 804537104 /nfs/dbraw/zinc/53/71/04/804537104.db2.gz NHRZCYRKNZSCOE-MRVPVSSYSA-N -1 0 315.351 -0.190 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]N2CN=NC2=O)nn1-c1ccccc1 ZINC000782123371 804539615 /nfs/dbraw/zinc/53/96/15/804539615.db2.gz FKINZGOTRNJZJN-UHFFFAOYSA-N -1 0 313.277 -0.348 20 0 DBADRM O=C(Cn1cc(C(=O)[N-]N2CN=NC2=O)cn1)NC1CCCC1 ZINC000782124423 804540129 /nfs/dbraw/zinc/54/01/29/804540129.db2.gz QDWBHRDQPPXMPA-UHFFFAOYSA-N -1 0 319.325 -0.377 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c(C)n1 ZINC000782605318 804551591 /nfs/dbraw/zinc/55/15/91/804551591.db2.gz GICINKBTUJSORD-SNVBAGLBSA-N -1 0 317.367 -0.314 20 0 DBADRM CC(=O)N(C)CC(=O)OCCOCC[N-]C(=O)C(F)(F)F ZINC000782650606 804553010 /nfs/dbraw/zinc/55/30/10/804553010.db2.gz YIWMDZWFVOUEMM-UHFFFAOYSA-N -1 0 314.260 -0.297 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1nccs1 ZINC000783127342 804562213 /nfs/dbraw/zinc/56/22/13/804562213.db2.gz KBSIUTSWAWUCFU-SSDOTTSWSA-N -1 0 318.380 -0.957 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)[C@@H](C)C1 ZINC000783404075 804565467 /nfs/dbraw/zinc/56/54/67/804565467.db2.gz HJPKCNJVKGIJEK-UWVGGRQHSA-N -1 0 306.384 -0.069 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C ZINC000784813806 804588282 /nfs/dbraw/zinc/58/82/82/804588282.db2.gz BJALIJRVMZQNGE-QMMMGPOBSA-N -1 0 301.324 -0.283 20 0 DBADRM CCCCS(=O)(=O)[N-]C(=O)CS(=O)(=O)N(CC)CC ZINC000784815480 804588468 /nfs/dbraw/zinc/58/84/68/804588468.db2.gz CGPVBCFBNWWIBF-UHFFFAOYSA-N -1 0 314.429 -0.096 20 0 DBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000785088726 804591857 /nfs/dbraw/zinc/59/18/57/804591857.db2.gz XAUKHLWGYFOKEG-SNVBAGLBSA-N -1 0 306.384 -0.130 20 0 DBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000785079816 804591911 /nfs/dbraw/zinc/59/19/11/804591911.db2.gz ZUATXJJDODTXPJ-ZJUUUORDSA-N -1 0 306.384 -0.274 20 0 DBADRM CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785387095 804597345 /nfs/dbraw/zinc/59/73/45/804597345.db2.gz XDRUABMEUTZSLN-VIFPVBQESA-N -1 0 311.342 -0.038 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000785368480 804597794 /nfs/dbraw/zinc/59/77/94/804597794.db2.gz HTEUEMOCISDSGE-UHFFFAOYSA-N -1 0 315.351 -0.011 20 0 DBADRM Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785388535 804598708 /nfs/dbraw/zinc/59/87/08/804598708.db2.gz KTZDFWRTTHAQEK-UHFFFAOYSA-N -1 0 317.305 -0.348 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NCCS(=O)(=O)CC2CC2)O1 ZINC000785400792 804598880 /nfs/dbraw/zinc/59/88/80/804598880.db2.gz CJLQKEDOABYGKN-VHSXEESVSA-N -1 0 305.352 -0.440 20 0 DBADRM COC(=O)CCc1cccc(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC000786426825 804615096 /nfs/dbraw/zinc/61/50/96/804615096.db2.gz JEGKJBHHIMTXML-UHFFFAOYSA-N -1 0 323.305 -0.736 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000786958324 804626230 /nfs/dbraw/zinc/62/62/30/804626230.db2.gz GTYREZRPOZSCJL-ZJUUUORDSA-N -1 0 321.399 -0.783 20 0 DBADRM CC(=O)c1ccc(S(=O)(=O)CC(=O)[N-]OCCO)cc1F ZINC000787282113 804631404 /nfs/dbraw/zinc/63/14/04/804631404.db2.gz ITMGOPICCYCYMI-UHFFFAOYSA-N -1 0 319.310 -0.158 20 0 DBADRM O=C([N-]OCCO)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000787294631 804632321 /nfs/dbraw/zinc/63/23/21/804632321.db2.gz XACXVAZWLSMINE-GFCCVEGCSA-N -1 0 314.363 -0.120 20 0 DBADRM O=C(CSc1nnnn1CC(F)(F)F)[N-]OCCO ZINC000787295330 804632638 /nfs/dbraw/zinc/63/26/38/804632638.db2.gz OYEJPWXZTCLLNM-UHFFFAOYSA-N -1 0 301.250 -0.632 20 0 DBADRM CCn1c(=O)c2ccccc2n(CC(=O)[N-]OCCO)c1=O ZINC000787293930 804632727 /nfs/dbraw/zinc/63/27/27/804632727.db2.gz RATCNYZJCYVZKJ-UHFFFAOYSA-N -1 0 307.306 -0.777 20 0 DBADRM COC(CN(CCCO)C(=O)CSc1n[nH]c(=O)[n-]1)OC ZINC000787287026 804632890 /nfs/dbraw/zinc/63/28/90/804632890.db2.gz SNFRTKWCCAXVNW-UHFFFAOYSA-N -1 0 320.371 -0.568 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000787755759 804640294 /nfs/dbraw/zinc/64/02/94/804640294.db2.gz JCWPVNNZMPDTJO-JTQLQIEISA-N -1 0 305.400 -0.766 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cnn(C)c2)C1=O ZINC000787913161 804645230 /nfs/dbraw/zinc/64/52/30/804645230.db2.gz WLDHGCWYIUUHPI-JTQLQIEISA-N -1 0 301.328 -0.666 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cnn2cccnc12 ZINC000788094317 804649402 /nfs/dbraw/zinc/64/94/02/804649402.db2.gz AVZGVOFOHWDOCB-UHFFFAOYSA-N -1 0 322.306 -0.273 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]OC[C@@H]1CCOC1)n1cccn1 ZINC000788272562 804655119 /nfs/dbraw/zinc/65/51/19/804655119.db2.gz BWCPMTCHPVKFJK-NWDGAFQWSA-N -1 0 310.354 -0.013 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]OC[C@H]1CCOC1 ZINC000788273012 804655481 /nfs/dbraw/zinc/65/54/81/804655481.db2.gz HOSUHCKBRGKRDM-WDEREUQCSA-N -1 0 306.384 -0.115 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@@]3(CNC(=O)C3)C2)c[nH]1 ZINC000788403226 804661863 /nfs/dbraw/zinc/66/18/63/804661863.db2.gz IHPKYIYQTSDFGH-GFCCVEGCSA-N -1 0 313.335 -0.386 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)NC/C=C/C(=O)[O-] ZINC000788444333 804661919 /nfs/dbraw/zinc/66/19/19/804661919.db2.gz ALWDLUMHABMZDC-NSCUHMNNSA-N -1 0 306.321 -0.151 20 0 DBADRM CN1C(=O)c2ccc(S(=O)(=O)NC/C=C/C(=O)[O-])cc2C1=O ZINC000788447752 804661952 /nfs/dbraw/zinc/66/19/52/804661952.db2.gz PQVPUWNIHIYDTR-NSCUHMNNSA-N -1 0 324.314 -0.169 20 0 DBADRM COC(=O)c1cncc(S(=O)(=O)[N-]N2CCCNC2=O)c1 ZINC000788675648 804666211 /nfs/dbraw/zinc/66/62/11/804666211.db2.gz HLDANFPYHYLXQN-UHFFFAOYSA-N -1 0 314.323 -0.523 20 0 DBADRM Cc1nc(CC2CC2)sc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000789419128 804673933 /nfs/dbraw/zinc/67/39/33/804673933.db2.gz LCOWLYZJVDTQMT-UHFFFAOYSA-N -1 0 317.392 -0.051 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccn(C)n1 ZINC000789776847 804675808 /nfs/dbraw/zinc/67/58/08/804675808.db2.gz LEWJBBDCDIKQSJ-IUCAKERBSA-N -1 0 317.367 -0.394 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000789792335 804676115 /nfs/dbraw/zinc/67/61/15/804676115.db2.gz GXZSATWEYUKTRK-UHFFFAOYSA-N -1 0 302.356 -0.233 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@]1(C)C=CCC1 ZINC001284289211 804676267 /nfs/dbraw/zinc/67/62/67/804676267.db2.gz QCXVWDQJPXQBMM-XLKFXECMSA-N -1 0 321.337 -0.126 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccn(C)n1 ZINC000789776848 804676547 /nfs/dbraw/zinc/67/65/47/804676547.db2.gz LEWJBBDCDIKQSJ-RKDXNWHRSA-N -1 0 317.367 -0.394 20 0 DBADRM C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000789791716 804676642 /nfs/dbraw/zinc/67/66/42/804676642.db2.gz SCQAYOQPACZAHC-BDAKNGLRSA-N -1 0 303.340 -0.201 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1c(OC)ncnc1N(C)C ZINC000789823642 804677784 /nfs/dbraw/zinc/67/77/84/804677784.db2.gz SJVJXFZZCIMCLL-UHFFFAOYSA-N -1 0 313.314 -0.816 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000789825033 804677900 /nfs/dbraw/zinc/67/79/00/804677900.db2.gz GUVVOQIUSAKMAE-UHFFFAOYSA-N -1 0 306.282 -0.705 20 0 DBADRM Cc1cc(F)cc(-n2cc(C(=O)[N-]N3CC(=O)NC3=O)nn2)c1 ZINC000789898841 804678841 /nfs/dbraw/zinc/67/88/41/804678841.db2.gz JLEPGDYPPSTMBI-UHFFFAOYSA-N -1 0 318.268 -0.089 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000789973219 804681358 /nfs/dbraw/zinc/68/13/58/804681358.db2.gz FUUFVLDCFRMPRK-YIZRAAEISA-N -1 0 312.288 -0.356 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CN(C)NC1=O ZINC000790010160 804682441 /nfs/dbraw/zinc/68/24/41/804682441.db2.gz LREKRNJGGPHUDT-BQBZGAKWSA-N -1 0 310.276 -0.849 20 0 DBADRM O=C([O-])[C@@H](O)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000790077217 804683330 /nfs/dbraw/zinc/68/33/30/804683330.db2.gz VPOPEPVYFRVDQJ-MNOVXSKESA-N -1 0 306.384 -0.125 20 0 DBADRM O=C([O-])[C@H](O)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000790077212 804683778 /nfs/dbraw/zinc/68/37/78/804683778.db2.gz VPOPEPVYFRVDQJ-GHMZBOCLSA-N -1 0 306.384 -0.125 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)OCc2n[nH]c(=O)[n-]2)c(=O)c1 ZINC000790687510 804692616 /nfs/dbraw/zinc/69/26/16/804692616.db2.gz DHUPUWWTFXCXPD-CYBMUJFWSA-N -1 0 308.294 -0.525 20 0 DBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000790765528 804695272 /nfs/dbraw/zinc/69/52/72/804695272.db2.gz ORNVVORFVHEAQC-UHFFFAOYSA-N -1 0 316.310 -0.511 20 0 DBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)c1ccsc1 ZINC000790786894 804695417 /nfs/dbraw/zinc/69/54/17/804695417.db2.gz YZFIXELAZWCVAK-UHFFFAOYSA-N -1 0 304.349 -0.588 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c(F)c1 ZINC000790870472 804696661 /nfs/dbraw/zinc/69/66/61/804696661.db2.gz PEBKQJLRYHHADG-UHFFFAOYSA-N -1 0 317.298 -0.078 20 0 DBADRM CC(C)[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)(C)O ZINC000791053507 804699286 /nfs/dbraw/zinc/69/92/86/804699286.db2.gz MTITZEVRPFTPLD-NSHDSACASA-N -1 0 307.354 -0.017 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCOCC(F)F ZINC000791829936 804708814 /nfs/dbraw/zinc/70/88/14/804708814.db2.gz MXYYTRBKJJBHQN-UHFFFAOYSA-N -1 0 304.315 -0.403 20 0 DBADRM CC[C@@H](C)n1ncc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1C ZINC000791875188 804709597 /nfs/dbraw/zinc/70/95/97/804709597.db2.gz ZJKRANQPDSDGGF-SSDOTTSWSA-N -1 0 302.356 -0.293 20 0 DBADRM O=C([N-]S(=O)(=O)c1ncccc1F)[C@H]1CCNC(=O)C1 ZINC000791934919 804712244 /nfs/dbraw/zinc/71/22/44/804712244.db2.gz KYNATWMXANXXGM-ZETCQYMHSA-N -1 0 301.299 -0.448 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)C[C@H]2CCCOC2)CCOC1 ZINC000792773716 804722473 /nfs/dbraw/zinc/72/24/73/804722473.db2.gz RWFGUUPMOOADKP-CMPLNLGQSA-N -1 0 307.368 -0.336 20 0 DBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)n1 ZINC000793145810 804724831 /nfs/dbraw/zinc/72/48/31/804724831.db2.gz ZXAPGMZMNYAJLL-UHFFFAOYSA-N -1 0 315.336 -0.906 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CC2OCCCO2)cn1 ZINC000793160330 804726072 /nfs/dbraw/zinc/72/60/72/804726072.db2.gz PUABCFGUALBDHE-UHFFFAOYSA-N -1 0 303.340 -0.139 20 0 DBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000793154953 804726201 /nfs/dbraw/zinc/72/62/01/804726201.db2.gz GHLYTAVXZVVVTA-UHFFFAOYSA-N -1 0 310.335 -0.163 20 0 DBADRM COCCOCC(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001284513846 804726115 /nfs/dbraw/zinc/72/61/15/804726115.db2.gz MDSYPTHVLFRMMB-UHFFFAOYSA-N -1 0 314.342 -0.725 20 0 DBADRM CCC(F)(F)C[N-]S(=O)(=O)CCS(=O)(=O)N(C)C ZINC000882443640 806981837 /nfs/dbraw/zinc/98/18/37/806981837.db2.gz YGAULQSGSWDMRU-UHFFFAOYSA-N -1 0 308.372 -0.158 20 0 DBADRM C[C@]1(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCOC1=O ZINC000794099083 804743877 /nfs/dbraw/zinc/74/38/77/804743877.db2.gz MLMRFHHXWGOXFX-ZDUSSCGKSA-N -1 0 304.262 -0.129 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H](CO)CC1CCC1 ZINC000794121726 804744732 /nfs/dbraw/zinc/74/47/32/804744732.db2.gz HXFXCIDIXWSHRU-SNVBAGLBSA-N -1 0 305.338 -0.262 20 0 DBADRM CSCCO[N-]C(=O)CNS(=O)(=O)CCOC(C)C ZINC000794196241 804745015 /nfs/dbraw/zinc/74/50/15/804745015.db2.gz WFRKKLPAMKHSGU-UHFFFAOYSA-N -1 0 314.429 -0.258 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C[C@H]1COCC2 ZINC000794762810 804750614 /nfs/dbraw/zinc/75/06/14/804750614.db2.gz NJPFTMKUYTXURM-XMZIXOGTSA-N -1 0 322.361 -0.053 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCC(=O)c1cnn(C)c1 ZINC000796709254 804773649 /nfs/dbraw/zinc/77/36/49/804773649.db2.gz CERWSZLFZOCJOM-SECBINFHSA-N -1 0 317.367 -0.136 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CCC(=O)c1cnn(C)c1 ZINC000796709262 804773663 /nfs/dbraw/zinc/77/36/63/804773663.db2.gz CERWSZLFZOCJOM-VIFPVBQESA-N -1 0 317.367 -0.136 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)[nH]1 ZINC000796712294 804773722 /nfs/dbraw/zinc/77/37/22/804773722.db2.gz BPQUMFHBOAVBJL-UHFFFAOYSA-N -1 0 312.307 -0.347 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CCn1cnccc1=O ZINC000796881365 804775048 /nfs/dbraw/zinc/77/50/48/804775048.db2.gz FMGJAGNOYQIRMB-VIFPVBQESA-N -1 0 303.340 -0.886 20 0 DBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cc[nH]n1)C(C)C ZINC000796875865 804775061 /nfs/dbraw/zinc/77/50/61/804775061.db2.gz IQSSLGMTJXRNSB-QMMMGPOBSA-N -1 0 304.328 -0.405 20 0 DBADRM NC(=O)c1ccc(OCC(=O)[N-]S(=O)(=O)c2cc[nH]n2)cc1 ZINC000796882534 804775092 /nfs/dbraw/zinc/77/50/92/804775092.db2.gz FOSJGUAMMHIYCE-UHFFFAOYSA-N -1 0 324.318 -0.608 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)C1 ZINC000796872234 804775173 /nfs/dbraw/zinc/77/51/73/804775173.db2.gz GHQYVVRNLHZNIB-VIFPVBQESA-N -1 0 300.340 -0.527 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)[nH]1 ZINC000796962495 804776419 /nfs/dbraw/zinc/77/64/19/804776419.db2.gz FYMVBTJCEQPVEC-UHFFFAOYSA-N -1 0 319.339 -0.646 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)[nH]1 ZINC000797127331 804778086 /nfs/dbraw/zinc/77/80/86/804778086.db2.gz MDBCPIWRODCQLC-UHFFFAOYSA-N -1 0 313.295 -0.952 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000797273044 804778723 /nfs/dbraw/zinc/77/87/23/804778723.db2.gz BVPSTASKBWHJMY-PHDIDXHHSA-N -1 0 302.274 -0.104 20 0 DBADRM CCn1cc(CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)cn1 ZINC000797282855 804778916 /nfs/dbraw/zinc/77/89/16/804778916.db2.gz OFDNJKTYNVWZKB-MRVPVSSYSA-N -1 0 303.340 -0.547 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C2CC2)n(C)n1 ZINC000797283683 804779166 /nfs/dbraw/zinc/77/91/66/804779166.db2.gz QBZJLGSHROBZLI-SSDOTTSWSA-N -1 0 315.351 -0.081 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccn(C(F)F)n1 ZINC000797291170 804779543 /nfs/dbraw/zinc/77/95/43/804779543.db2.gz KMAJYAQJMUEUGY-RXMQYKEDSA-N -1 0 311.266 -0.101 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000797286469 804779554 /nfs/dbraw/zinc/77/95/54/804779554.db2.gz WWGAVDVQNBEDKN-DJLDLDEBSA-N -1 0 320.367 -0.714 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)/C=C/C1CCOCC1 ZINC000797294753 804779567 /nfs/dbraw/zinc/77/95/67/804779567.db2.gz RTKPBQLMCVVHAL-NWALNABHSA-N -1 0 305.352 -0.023 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000797300718 804780749 /nfs/dbraw/zinc/78/07/49/804780749.db2.gz NIGCIFHGBLQSFC-JGVFFNPUSA-N -1 0 322.383 -0.455 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OC)nc1 ZINC000797302604 804780823 /nfs/dbraw/zinc/78/08/23/804780823.db2.gz UTCNMWVROAZNTJ-SSDOTTSWSA-N -1 0 302.308 -0.289 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1c(C)noc1C ZINC000798201085 804786961 /nfs/dbraw/zinc/78/69/61/804786961.db2.gz RCEWEVXMZJFZDO-QMMMGPOBSA-N -1 0 304.324 -0.159 20 0 DBADRM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(=O)[nH][n-]1 ZINC000798283733 804789679 /nfs/dbraw/zinc/78/96/79/804789679.db2.gz MTVXMFXTZORBTC-LBPRGKRZSA-N -1 0 301.302 -0.011 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)F ZINC000798833075 804802033 /nfs/dbraw/zinc/80/20/33/804802033.db2.gz DRXNADANJGOTDU-QMMMGPOBSA-N -1 0 315.342 -0.735 20 0 DBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cnnn2C)cn1 ZINC000798850272 804802665 /nfs/dbraw/zinc/80/26/65/804802665.db2.gz KIDXYDQOZWACAN-UHFFFAOYSA-N -1 0 311.323 -0.273 20 0 DBADRM O=C([N-]S(=O)(=O)CCCF)[C@H]1COCCN1CC(F)F ZINC000798836509 804802680 /nfs/dbraw/zinc/80/26/80/804802680.db2.gz LCAGEGGBIIPRRS-MRVPVSSYSA-N -1 0 318.317 -0.242 20 0 DBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000798858264 804803016 /nfs/dbraw/zinc/80/30/16/804803016.db2.gz UCVFHBACDYUPQW-UHFFFAOYSA-N -1 0 320.281 -0.605 20 0 DBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000798864054 804803104 /nfs/dbraw/zinc/80/31/04/804803104.db2.gz FFNLOVHMLUQYMM-UHFFFAOYSA-N -1 0 324.347 -0.062 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1)c1cnn(C)c1 ZINC000798850519 804803290 /nfs/dbraw/zinc/80/32/90/804803290.db2.gz MPWOYEZBNQQBTI-MNOVXSKESA-N -1 0 317.367 -0.267 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)[N-]S(=O)(=O)c1cc[nH]n1)CC2 ZINC000798858747 804803444 /nfs/dbraw/zinc/80/34/44/804803444.db2.gz RFOOSTYYBHPIMY-MRVPVSSYSA-N -1 0 309.351 -0.247 20 0 DBADRM O=C(NCC1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1)C(F)(F)F ZINC000799103497 804806652 /nfs/dbraw/zinc/80/66/52/804806652.db2.gz LQIVGVWZLLJFRL-UHFFFAOYSA-N -1 0 320.271 -0.221 20 0 DBADRM COc1ccccc1CO[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000799093031 804807269 /nfs/dbraw/zinc/80/72/69/804807269.db2.gz GOZQIBCGBRYMEY-UHFFFAOYSA-N -1 0 319.317 -0.196 20 0 DBADRM C/C=C(\C)C(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001284959930 804811123 /nfs/dbraw/zinc/81/11/23/804811123.db2.gz NBIJXIYDJJMTMU-FPYGCLRLSA-N -1 0 309.326 -0.770 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)c2cnn(CC3CC3)c2)CCOC1 ZINC000800025370 804819716 /nfs/dbraw/zinc/81/97/16/804819716.db2.gz OJVIXAGRMHVVTE-LBPRGKRZSA-N -1 0 315.351 -0.185 20 0 DBADRM C[C@H](NC(=O)COC(=O)c1cccc2n[nH]nc21)C(=O)N(C)C ZINC000800206971 804822459 /nfs/dbraw/zinc/82/24/59/804822459.db2.gz PHSWGBGMPXSJDV-QMMMGPOBSA-N -1 0 319.321 -0.292 20 0 DBADRM C[C@H]1CN(CCOC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCO1 ZINC000800163897 804822734 /nfs/dbraw/zinc/82/27/34/804822734.db2.gz CVIPMIIGWOZRGD-JTQLQIEISA-N -1 0 321.337 -0.665 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCC(C)=O ZINC000800390785 804824246 /nfs/dbraw/zinc/82/42/46/804824246.db2.gz FFZUKJVWTMTYBA-SNVBAGLBSA-N -1 0 320.367 -0.256 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC000800400314 804824521 /nfs/dbraw/zinc/82/45/21/804824521.db2.gz ZSIXRJNADJAKTQ-GARJFASQSA-N -1 0 309.384 -0.091 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCCn1cccn1 ZINC000800549828 804825410 /nfs/dbraw/zinc/82/54/10/804825410.db2.gz PBCKUNBLBIKXIT-UHFFFAOYSA-N -1 0 302.356 -0.755 20 0 DBADRM Cc1nc(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)c(C)s1 ZINC000800548968 804825484 /nfs/dbraw/zinc/82/54/84/804825484.db2.gz CNBPLRQBHJDJTH-UHFFFAOYSA-N -1 0 319.408 -0.115 20 0 DBADRM CC(C)n1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC000800554038 804826245 /nfs/dbraw/zinc/82/62/45/804826245.db2.gz WECFRXHOMGIBFB-UHFFFAOYSA-N -1 0 302.356 -0.340 20 0 DBADRM C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800553095 804826483 /nfs/dbraw/zinc/82/64/83/804826483.db2.gz IJCBUNMIWMSQAS-DTWKUNHWSA-N -1 0 304.368 -0.426 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cn2c(n1)CCCC2 ZINC000800551756 804826554 /nfs/dbraw/zinc/82/65/54/804826554.db2.gz BPYIMOAYPDJSQY-UHFFFAOYSA-N -1 0 314.367 -0.585 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCC1CCOCC1 ZINC000800552231 804826574 /nfs/dbraw/zinc/82/65/74/804826574.db2.gz OOVRCCAVVNSNTI-UHFFFAOYSA-N -1 0 306.384 -0.225 20 0 DBADRM CC(C)n1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC000800553585 804826706 /nfs/dbraw/zinc/82/67/06/804826706.db2.gz PXAOXVRHBVCWSN-UHFFFAOYSA-N -1 0 302.356 -0.340 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccnc2c1nnn2C ZINC000802083431 804841408 /nfs/dbraw/zinc/84/14/08/804841408.db2.gz KHYPTQIVFRYHIP-SSDOTTSWSA-N -1 0 313.339 -0.542 20 0 DBADRM O=C(CCn1ccnn1)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000802126926 804842290 /nfs/dbraw/zinc/84/22/90/804842290.db2.gz RKVYLCBGKICFMT-UHFFFAOYSA-N -1 0 324.318 -0.098 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1coc(C2CC2)n1 ZINC000802095189 804842504 /nfs/dbraw/zinc/84/25/04/804842504.db2.gz SLURXUUNGDXJRQ-UHFFFAOYSA-N -1 0 301.324 -0.141 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(C)=O ZINC000802162078 804842784 /nfs/dbraw/zinc/84/27/84/804842784.db2.gz HOUJRRNZCYVSIF-GJMOJQLCSA-N -1 0 308.356 -0.845 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(C)=O ZINC000802162077 804842793 /nfs/dbraw/zinc/84/27/93/804842793.db2.gz HOUJRRNZCYVSIF-CSMHCCOUSA-N -1 0 308.356 -0.845 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccnn1C ZINC000802162994 804843603 /nfs/dbraw/zinc/84/36/03/804843603.db2.gz ZIMXMXDKAHVDCM-DTWKUNHWSA-N -1 0 317.367 -0.394 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C1=CCOCC1 ZINC000802163783 804843783 /nfs/dbraw/zinc/84/37/83/804843783.db2.gz SGCQKGGRTXZQHI-IUCAKERBSA-N -1 0 305.352 -0.023 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)nn1C ZINC000802166220 804843813 /nfs/dbraw/zinc/84/38/13/804843813.db2.gz YUAYLXDIMLFQPE-BDAKNGLRSA-N -1 0 317.367 -0.014 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)c[nH]1 ZINC000802206795 804844174 /nfs/dbraw/zinc/84/41/74/804844174.db2.gz MOFGLBBZAVPSKZ-UHFFFAOYSA-N -1 0 323.334 -0.625 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)c1cncc(-n2ccnn2)c1 ZINC000802211968 804844758 /nfs/dbraw/zinc/84/47/58/804844758.db2.gz AMCBKXJXZNQAFX-UHFFFAOYSA-N -1 0 319.306 -0.496 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)COCc1nnc(C)s1 ZINC000802816245 804848262 /nfs/dbraw/zinc/84/82/62/804848262.db2.gz SVJOHLRSQNOQNH-ZETCQYMHSA-N -1 0 323.396 -0.156 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)c1cnn(C)n1 ZINC000803027706 804848933 /nfs/dbraw/zinc/84/89/33/804848933.db2.gz XZWLIADDZAQHCB-UHFFFAOYSA-N -1 0 315.380 -0.118 20 0 DBADRM O=C(N[C@@H](CO)c1nc(-c2ccccc2)no1)c1cc(=O)[nH][n-]1 ZINC000804122125 804866061 /nfs/dbraw/zinc/86/60/61/804866061.db2.gz XIPBZVPRYYCTRN-JTQLQIEISA-N -1 0 315.289 -0.238 20 0 DBADRM O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(=O)[nH][n-]1 ZINC000804388332 804868989 /nfs/dbraw/zinc/86/89/89/804868989.db2.gz ULRCLJFHYRXYMV-SNVBAGLBSA-N -1 0 307.354 -0.341 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1cc(=O)[nH][n-]1 ZINC000804501620 804871269 /nfs/dbraw/zinc/87/12/69/804871269.db2.gz YCMYJQKVGJWKSH-DTWKUNHWSA-N -1 0 316.383 -0.914 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001285469276 804890663 /nfs/dbraw/zinc/89/06/63/804890663.db2.gz UKPCMIFOAXDCKR-WBSSQXGSSA-N -1 0 323.353 -0.649 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)COCc1ccccn1 ZINC000805916066 804904738 /nfs/dbraw/zinc/90/47/38/804904738.db2.gz UKXMSFSKAHIWKR-SECBINFHSA-N -1 0 316.335 -0.394 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CO[C@@H](C)c1nccn1C ZINC000805879476 804904837 /nfs/dbraw/zinc/90/48/37/804904837.db2.gz MZGGOFKGFQCFNP-VIFPVBQESA-N -1 0 305.356 -0.410 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CO[C@H](C)c1nccn1C ZINC000805930738 804905231 /nfs/dbraw/zinc/90/52/31/804905231.db2.gz YUIBJNPKBPIOMB-VHSXEESVSA-N -1 0 319.383 -0.021 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CO[C@@H](C)c1nccn1C ZINC000805930737 804905238 /nfs/dbraw/zinc/90/52/38/804905238.db2.gz YUIBJNPKBPIOMB-UWVGGRQHSA-N -1 0 319.383 -0.021 20 0 DBADRM C/C=C(\C)C(=O)NC/C=C\CNC(=O)c1cnc([O-])n(C)c1=O ZINC001285517271 804905506 /nfs/dbraw/zinc/90/55/06/804905506.db2.gz HOOGBAWWRPRLSH-QYONPMAVSA-N -1 0 320.349 -0.146 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000806029849 804909145 /nfs/dbraw/zinc/90/91/45/804909145.db2.gz SUCFMUZENIGVOT-MRVPVSSYSA-N -1 0 310.397 -0.591 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000806192561 804912234 /nfs/dbraw/zinc/91/22/34/804912234.db2.gz HVNMYQBZTKVDAE-FQEVSTJZSA-N -1 0 308.400 -0.266 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c(N(C)C)n1 ZINC001325063004 807029332 /nfs/dbraw/zinc/02/93/32/807029332.db2.gz BFFATRQCVOQOIC-UHFFFAOYSA-N -1 0 319.325 -0.465 20 0 DBADRM CCO[C@H]1COCC[C@H]1NC(=O)C(=O)[N-]OCCSC ZINC000807131491 804931366 /nfs/dbraw/zinc/93/13/66/804931366.db2.gz UETAJITUCOUMLN-ZJUUUORDSA-N -1 0 306.384 -0.293 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CC=CC1 ZINC001285632785 804931614 /nfs/dbraw/zinc/93/16/14/804931614.db2.gz OVRXDHLGYKHEAF-MRVPVSSYSA-N -1 0 309.326 -0.724 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCCc1c(C)nn(C)c1C ZINC000807314158 804934952 /nfs/dbraw/zinc/93/49/52/804934952.db2.gz ZBNPLNXCNNYJLV-UHFFFAOYSA-N -1 0 312.370 -0.220 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000807690270 804939348 /nfs/dbraw/zinc/93/93/48/804939348.db2.gz BGMZGAPGOPEBLJ-LBPRGKRZSA-N -1 0 322.365 -0.139 20 0 DBADRM C/C=C(/C)C(=O)NC[C@@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001285667657 804939698 /nfs/dbraw/zinc/93/96/98/804939698.db2.gz AGULQBKPWSAPEC-USYJTPIQSA-N -1 0 323.353 -0.198 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC2(C1)CCCOC2 ZINC000807896418 804941719 /nfs/dbraw/zinc/94/17/19/804941719.db2.gz JBOMWXNKASBPAE-UHFFFAOYSA-N -1 0 303.322 -0.290 20 0 DBADRM C/C(=C/C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001285757759 804961040 /nfs/dbraw/zinc/96/10/40/804961040.db2.gz OPKTUHXRORAEDD-TVSKSKRASA-N -1 0 321.337 -0.126 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CC=CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001285757879 804961181 /nfs/dbraw/zinc/96/11/81/804961181.db2.gz VFPWCRJPLSUPQL-DTWKUNHWSA-N -1 0 321.337 -0.126 20 0 DBADRM C/C(=C\C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001285757758 804961313 /nfs/dbraw/zinc/96/13/13/804961313.db2.gz OPKTUHXRORAEDD-IVGLGHLBSA-N -1 0 321.337 -0.126 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cnnn1C ZINC000808564498 804961468 /nfs/dbraw/zinc/96/14/68/804961468.db2.gz VAXLOFQWTASIQD-UHFFFAOYSA-N -1 0 314.327 -0.176 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)C=C1CCC1 ZINC001285774398 804965891 /nfs/dbraw/zinc/96/58/91/804965891.db2.gz UTNNLLADXWYSQC-SECBINFHSA-N -1 0 323.353 -0.237 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)Cn1cc(Cl)cn1 ZINC000809000344 804967432 /nfs/dbraw/zinc/96/74/32/804967432.db2.gz XALMESOGHHMHDK-UHFFFAOYSA-N -1 0 303.731 -0.225 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)nn2)cc1C(N)=O ZINC000808986341 804967695 /nfs/dbraw/zinc/96/76/95/804967695.db2.gz YINDBIGYIOWNJO-UHFFFAOYSA-N -1 0 323.334 -0.659 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)C[C@H]1CCCC(=O)N1 ZINC000808991708 804967755 /nfs/dbraw/zinc/96/77/55/804967755.db2.gz IUOGDYMWKANLHD-SNVBAGLBSA-N -1 0 322.383 -0.846 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C ZINC000809033558 804968577 /nfs/dbraw/zinc/96/85/77/804968577.db2.gz BLVJOFFBBCXYOT-UHFFFAOYSA-N -1 0 316.383 -0.304 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)Cn1ccccc1=O ZINC000809034522 804968698 /nfs/dbraw/zinc/96/86/98/804968698.db2.gz JBSLQMROXAWULX-UHFFFAOYSA-N -1 0 310.335 -0.605 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cccn(C)c1=O ZINC000809030424 804968775 /nfs/dbraw/zinc/96/87/75/804968775.db2.gz SKONECBRDNHOJC-UHFFFAOYSA-N -1 0 310.335 -0.454 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1coc(C(N)=O)c1 ZINC000809033375 804969182 /nfs/dbraw/zinc/96/91/82/804969182.db2.gz NCTSHZJAXMGVTD-UHFFFAOYSA-N -1 0 312.307 -0.461 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CCN1CCCC1=O ZINC000809036284 804969763 /nfs/dbraw/zinc/96/97/63/804969763.db2.gz UXCRUAPGCMMBRA-UHFFFAOYSA-N -1 0 314.367 -0.454 20 0 DBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000809036388 804970279 /nfs/dbraw/zinc/97/02/79/804970279.db2.gz WKCYMBVBVQAFEE-SNVBAGLBSA-N -1 0 319.383 -0.025 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1c[nH]c(C(N)=O)c1 ZINC000809035802 804970289 /nfs/dbraw/zinc/97/02/89/804970289.db2.gz NAOYEYTXTOTNNH-UHFFFAOYSA-N -1 0 311.323 -0.726 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H](COC)[C@@H]1CCCO1 ZINC000809453726 804977127 /nfs/dbraw/zinc/97/71/27/804977127.db2.gz OSAIGMVDNSWZOU-MNOVXSKESA-N -1 0 304.343 -0.619 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1C[C@@H](C)OC1=O ZINC000809382448 804977297 /nfs/dbraw/zinc/97/72/97/804977297.db2.gz ITJHGQQIYCUBHS-RITPCOANSA-N -1 0 320.348 -0.088 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCC1([S@](C)=O)CCC1 ZINC000809897321 804984640 /nfs/dbraw/zinc/98/46/40/804984640.db2.gz YNUKRDPBFUWHAS-IBGZPJMESA-N -1 0 308.425 -0.185 20 0 DBADRM COc1cccnc1CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000810584863 804996553 /nfs/dbraw/zinc/99/65/53/804996553.db2.gz HPZXXIBGNPGKMY-SECBINFHSA-N -1 0 300.336 -0.132 20 0 DBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)n1 ZINC000810641974 804996762 /nfs/dbraw/zinc/99/67/62/804996762.db2.gz LSKNXZOZPLHDSG-UHFFFAOYSA-N -1 0 301.715 -0.018 20 0 DBADRM COc1cccnc1CC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000810628073 804997300 /nfs/dbraw/zinc/99/73/00/804997300.db2.gz UHKYUQVHZFVKKF-UHFFFAOYSA-N -1 0 308.319 -0.072 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1nnc2ccccc2n1 ZINC000810677954 804998113 /nfs/dbraw/zinc/99/81/13/804998113.db2.gz UVBDQDIAMLOCIG-UHFFFAOYSA-N -1 0 318.318 -0.123 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ncn(C)n1 ZINC000810681198 804998156 /nfs/dbraw/zinc/99/81/56/804998156.db2.gz FRZGPCRSTFEKKA-RQJHMYQMSA-N -1 0 304.328 -0.928 20 0 DBADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)c2c(C)onc2N)no1 ZINC000810831360 805000377 /nfs/dbraw/zinc/00/03/77/805000377.db2.gz AWAHEDDMFYQUQV-UHFFFAOYSA-N -1 0 316.295 -0.254 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)COC[C@@H]1CCCO1 ZINC000810827143 805000395 /nfs/dbraw/zinc/00/03/95/805000395.db2.gz JOIWFQFPWUPZHZ-QMMMGPOBSA-N -1 0 319.339 -0.434 20 0 DBADRM C/C=C(\C)C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001285921100 805000507 /nfs/dbraw/zinc/00/05/07/805000507.db2.gz PWWKUKDEBAODOY-FPYGCLRLSA-N -1 0 309.326 -0.580 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CCc1cnccn1 ZINC000810830454 805000888 /nfs/dbraw/zinc/00/08/88/805000888.db2.gz PBUFSKSHNJZURI-UHFFFAOYSA-N -1 0 311.323 -0.207 20 0 DBADRM Cc1ccc(C)c(S(=O)(=O)NCC(=O)[N-]OCC(N)=O)c1 ZINC000810873064 805001553 /nfs/dbraw/zinc/00/15/53/805001553.db2.gz WELWIJDTWQNYRQ-UHFFFAOYSA-N -1 0 315.351 -0.885 20 0 DBADRM O=C(CNS(=O)(=O)c1cccnc1)[N-]OC1CCOCC1 ZINC000811164762 805006146 /nfs/dbraw/zinc/00/61/46/805006146.db2.gz VOQIKBLYXFSYOC-UHFFFAOYSA-N -1 0 315.351 -0.413 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCC(=O)NC2)CC1 ZINC000811158004 805006295 /nfs/dbraw/zinc/00/62/95/805006295.db2.gz ZIDDCHIOPRVGMN-NSHDSACASA-N -1 0 304.368 -0.472 20 0 DBADRM COC(=O)CCCO[N-]C(=O)CN(C)Cc1nnc(C)n1C ZINC000811559552 805011176 /nfs/dbraw/zinc/01/11/76/805011176.db2.gz FCGSDZKGOBTBRK-UHFFFAOYSA-N -1 0 313.358 -0.444 20 0 DBADRM COC(=O)CCCO[N-]C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000811558671 805011232 /nfs/dbraw/zinc/01/12/32/805011232.db2.gz PVEFRGXWRSQDFM-JTQLQIEISA-N -1 0 322.383 -0.894 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000811561619 805011482 /nfs/dbraw/zinc/01/14/82/805011482.db2.gz WLVSMXNIKIVHMS-SNVBAGLBSA-N -1 0 322.383 -0.199 20 0 DBADRM Cn1cnc2c1c(=O)n(CC(=O)[N-]OC1CCC1)c(=O)n2C ZINC000812787760 805022249 /nfs/dbraw/zinc/02/22/49/805022249.db2.gz HNIYZOGXDNLWLT-UHFFFAOYSA-N -1 0 307.310 -0.966 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@](C)(OC)C1CC1 ZINC000813075945 805025238 /nfs/dbraw/zinc/02/52/38/805025238.db2.gz HTDPWLXEVPQGOA-LBPRGKRZSA-N -1 0 309.384 -0.090 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ncn(C(C)(C)C)n1 ZINC000813085007 805025838 /nfs/dbraw/zinc/02/58/38/805025838.db2.gz XIPJSLUBOVWWES-SSDOTTSWSA-N -1 0 318.355 -0.346 20 0 DBADRM CC(C)(C)n1cnc(C(=O)[N-]S(=O)(=O)c2cnccn2)n1 ZINC000813076975 805025958 /nfs/dbraw/zinc/02/59/58/805025958.db2.gz RAJLWCPUTPBKLZ-UHFFFAOYSA-N -1 0 310.339 -0.058 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)[N-]OCCOC(C)C)n1 ZINC000813055523 805026004 /nfs/dbraw/zinc/02/60/04/805026004.db2.gz JEQMJHPUPRCHFW-UHFFFAOYSA-N -1 0 314.342 -0.059 20 0 DBADRM CC(C)(C)n1cnc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC000813533800 805028835 /nfs/dbraw/zinc/02/88/35/805028835.db2.gz AGYDVJPLPOYLNG-UHFFFAOYSA-N -1 0 317.371 -0.771 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cnc(N(C)C)cn2)C1=O ZINC000813547580 805030535 /nfs/dbraw/zinc/03/05/35/805030535.db2.gz TVWGNORVIFZNCB-CYBMUJFWSA-N -1 0 306.326 -0.092 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cnc(N(C)C)cn2)C1=O ZINC000813547583 805030687 /nfs/dbraw/zinc/03/06/87/805030687.db2.gz TVWGNORVIFZNCB-ZDUSSCGKSA-N -1 0 306.326 -0.092 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C2CC=CC2)CC1 ZINC000813949816 805036575 /nfs/dbraw/zinc/03/65/75/805036575.db2.gz YWZLKDVKTHZFDW-UHFFFAOYSA-N -1 0 301.368 -0.522 20 0 DBADRM CC[C@H](SC)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813950562 805036650 /nfs/dbraw/zinc/03/66/50/805036650.db2.gz WBOQGVZRAJKYRH-JTQLQIEISA-N -1 0 323.440 -0.347 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CC2(C)C)CC1 ZINC000813949550 805036847 /nfs/dbraw/zinc/03/68/47/805036847.db2.gz WCJFHDHETNYXQS-JTQLQIEISA-N -1 0 303.384 -0.442 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)COC(C)(C)C)CC1 ZINC000813949555 805036878 /nfs/dbraw/zinc/03/68/78/805036878.db2.gz WESHPYMCZMBFLW-UHFFFAOYSA-N -1 0 321.399 -0.673 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCO2)CC1 ZINC000813950177 805036950 /nfs/dbraw/zinc/03/69/50/805036950.db2.gz LAHWBJIFDHBHDC-NSHDSACASA-N -1 0 319.383 -0.919 20 0 DBADRM CCCSCC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813947189 805037019 /nfs/dbraw/zinc/03/70/19/805037019.db2.gz XVLAOURPBAIDJL-UHFFFAOYSA-N -1 0 323.440 -0.345 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cnn(C)c2C)CC1 ZINC000813953260 805037380 /nfs/dbraw/zinc/03/73/80/805037380.db2.gz VNGSGEGSUVOTIZ-UHFFFAOYSA-N -1 0 315.351 -0.123 20 0 DBADRM CCn1cc(CC(=O)[N-]S(=O)(=O)c2cnn(C)c2C)cn1 ZINC000813955101 805037511 /nfs/dbraw/zinc/03/75/11/805037511.db2.gz AGGVRGIOVAIFJO-UHFFFAOYSA-N -1 0 311.367 -0.007 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C)cnn1C ZINC000813953793 805037625 /nfs/dbraw/zinc/03/76/25/805037625.db2.gz BVSNYMHMKVSBOV-UHFFFAOYSA-N -1 0 316.383 -0.304 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cncs2)CC1 ZINC000813950999 805037690 /nfs/dbraw/zinc/03/76/90/805037690.db2.gz OTJMWCLVKXQZIA-UHFFFAOYSA-N -1 0 318.380 -0.718 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)CCn2ccccc2=O)cnn1C ZINC000813951891 805037904 /nfs/dbraw/zinc/03/79/04/805037904.db2.gz CLBAKFDKHWBHFE-UHFFFAOYSA-N -1 0 324.362 -0.215 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2cccc(C(N)=O)c2)cnn1C ZINC000813957276 805038169 /nfs/dbraw/zinc/03/81/69/805038169.db2.gz XWAHLBOMNGJMEY-UHFFFAOYSA-N -1 0 322.346 -0.054 20 0 DBADRM CCn1cc(CC(=O)[N-]S(=O)(=O)c2c(C)cnn2C)cn1 ZINC000813990296 805038311 /nfs/dbraw/zinc/03/83/11/805038311.db2.gz HSNDZXXZIZPMLW-UHFFFAOYSA-N -1 0 311.367 -0.007 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)COC[C@@H]1CCCO1 ZINC000813992291 805038373 /nfs/dbraw/zinc/03/83/73/805038373.db2.gz ZBSXKUDFYFGBOU-JTQLQIEISA-N -1 0 317.367 -0.271 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000813986446 805038779 /nfs/dbraw/zinc/03/87/79/805038779.db2.gz MJLOKGWICBSJRQ-UHFFFAOYSA-N -1 0 302.356 -0.550 20 0 DBADRM COc1cc(NC(=O)C(=O)[N-]OCC(N)=O)cc2cccnc21 ZINC000815614265 805057059 /nfs/dbraw/zinc/05/70/59/805057059.db2.gz KMFUVZULAFCCBJ-UHFFFAOYSA-N -1 0 318.289 -0.285 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000815629011 805057378 /nfs/dbraw/zinc/05/73/78/805057378.db2.gz QJBZZMZVEDQBGO-UHFFFAOYSA-N -1 0 319.321 -0.041 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)cc1 ZINC000815892976 805059902 /nfs/dbraw/zinc/05/99/02/805059902.db2.gz LSKWBNQJXIHGRY-UHFFFAOYSA-N -1 0 324.362 -0.215 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)CCCC(=O)OC ZINC000815949861 805062532 /nfs/dbraw/zinc/06/25/32/805062532.db2.gz ZTJMHKPEGYOVGK-UHFFFAOYSA-N -1 0 304.328 -0.689 20 0 DBADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000815946643 805062539 /nfs/dbraw/zinc/06/25/39/805062539.db2.gz AGNGECYLJXNHIW-JTQLQIEISA-N -1 0 318.399 -0.146 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cnnn2CC)nc1C ZINC000816001872 805063364 /nfs/dbraw/zinc/06/33/64/805063364.db2.gz GDRWMIGPKPAHQS-UHFFFAOYSA-N -1 0 312.355 -0.058 20 0 DBADRM CO[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnnn2C)C1 ZINC000816034708 805064110 /nfs/dbraw/zinc/06/41/10/805064110.db2.gz NNALGCIGBYLVRB-BDAKNGLRSA-N -1 0 302.356 -0.175 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)n1C ZINC000816049229 805065761 /nfs/dbraw/zinc/06/57/61/805065761.db2.gz AHGWYPNAHKSHDY-QMMMGPOBSA-N -1 0 318.351 -0.094 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2)C1CC1 ZINC000816204726 805066024 /nfs/dbraw/zinc/06/60/24/805066024.db2.gz QEUUKKDVONECFS-SNVBAGLBSA-N -1 0 315.351 -0.105 20 0 DBADRM CO[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816204897 805066727 /nfs/dbraw/zinc/06/67/27/805066727.db2.gz XTZLCRSVDSGLAE-QMMMGPOBSA-N -1 0 303.340 -0.105 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1cocn1 ZINC000816458677 805071487 /nfs/dbraw/zinc/07/14/87/805071487.db2.gz CSOYMEMMIBJHDX-MRVPVSSYSA-N -1 0 312.307 -0.049 20 0 DBADRM Cc1ccc(S(C)(=O)=O)cc1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816730719 805078218 /nfs/dbraw/zinc/07/82/18/805078218.db2.gz MKBYFLMKRUXZQQ-UHFFFAOYSA-N -1 0 312.307 -0.215 20 0 DBADRM O=C(CN1C(=O)c2ccccc2C1=O)Nn1c(=O)[n-][nH]c1=O ZINC000816732524 805079362 /nfs/dbraw/zinc/07/93/62/805079362.db2.gz LISQMBGZZWZJGJ-UHFFFAOYSA-N -1 0 303.234 -0.944 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816733740 805079550 /nfs/dbraw/zinc/07/95/50/805079550.db2.gz KAOPIANDMYJHPP-UHFFFAOYSA-N -1 0 307.266 -0.802 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000816733240 805079798 /nfs/dbraw/zinc/07/97/98/805079798.db2.gz OCOGYGAYPJGUEH-SECBINFHSA-N -1 0 324.341 -0.313 20 0 DBADRM Cc1nc2ncnn2c(C)c1CCC(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816732419 805079921 /nfs/dbraw/zinc/07/99/21/805079921.db2.gz GBVOTPPONDHHBY-UHFFFAOYSA-N -1 0 318.297 -0.553 20 0 DBADRM CCOC(=O)c1cnc(C)c(C(=O)Nn2c(=O)[n-][nH]c2=O)c1 ZINC000816734094 805080336 /nfs/dbraw/zinc/08/03/36/805080336.db2.gz ZBCKJOJWBZDHFA-UHFFFAOYSA-N -1 0 307.266 -0.047 20 0 DBADRM CCn1ncn([N-]C(=O)c2cc(Cn3cc(C)cn3)on2)c1=O ZINC000816737908 805080636 /nfs/dbraw/zinc/08/06/36/805080636.db2.gz HOVUKNGIDVGNJL-UHFFFAOYSA-N -1 0 317.309 -0.010 20 0 DBADRM Cc1nc2ccccc2c(=O)n1CC(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816734234 805081186 /nfs/dbraw/zinc/08/11/86/805081186.db2.gz FRJKGMKZYBHZKZ-UHFFFAOYSA-N -1 0 316.277 -0.522 20 0 DBADRM CC[C@@H](C)CO[N-]C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000816977258 805089597 /nfs/dbraw/zinc/08/95/97/805089597.db2.gz VPYUEDYYOHCWIO-SECBINFHSA-N -1 0 304.372 -0.208 20 0 DBADRM CS[C@@H]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000817116278 805092100 /nfs/dbraw/zinc/09/21/00/805092100.db2.gz RYBCKCFGSUBBJG-IVZWLZJFSA-N -1 0 316.379 -0.301 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)O1 ZINC000817116669 805092160 /nfs/dbraw/zinc/09/21/60/805092160.db2.gz XXHOHOMVMYGLRG-LKFCYVNXSA-N -1 0 314.338 -0.423 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[N-]OCCC1CC1 ZINC000817446686 805094173 /nfs/dbraw/zinc/09/41/73/805094173.db2.gz SKWKPTZCYVTLBB-SECBINFHSA-N -1 0 316.383 -0.065 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(F)F)C2)C1 ZINC000817901705 805103738 /nfs/dbraw/zinc/10/37/38/805103738.db2.gz XCELVOWAVLATQY-DTWKUNHWSA-N -1 0 320.292 -0.198 20 0 DBADRM C[C@@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C(=O)[O-] ZINC000818325494 805111210 /nfs/dbraw/zinc/11/12/10/805111210.db2.gz MAXWOPOPCZMTKP-SCZZXKLOSA-N -1 0 309.322 -0.591 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H](O)C1CCOCC1 ZINC000818310664 805111218 /nfs/dbraw/zinc/11/12/18/805111218.db2.gz JUHCLIPKFJXLDF-BXUZGUMPSA-N -1 0 301.339 -0.134 20 0 DBADRM CN1N=C(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCC1=O ZINC000818315363 805111357 /nfs/dbraw/zinc/11/13/57/805111357.db2.gz DZHABKQRXJMIKW-MRVPVSSYSA-N -1 0 320.309 -0.642 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H](O)C1CCOCC1 ZINC000818310668 805111383 /nfs/dbraw/zinc/11/13/83/805111383.db2.gz JUHCLIPKFJXLDF-FZMZJTMJSA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCc2c(F)cccc2C1 ZINC000884476662 807051244 /nfs/dbraw/zinc/05/12/44/807051244.db2.gz XCADWMHSKQVHJL-UHFFFAOYSA-N -1 0 324.308 -0.072 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCS(C)(=O)=O)C(=O)[O-] ZINC000818656693 805115148 /nfs/dbraw/zinc/11/51/48/805115148.db2.gz IQBDHETZCMSGEG-SECBINFHSA-N -1 0 322.383 -0.990 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC000818657725 805116621 /nfs/dbraw/zinc/11/66/21/805116621.db2.gz JGMHWJXZMNEXKZ-VIFPVBQESA-N -1 0 309.326 -0.844 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2cnn(CC3CC3)c2)C1 ZINC000819095411 805120984 /nfs/dbraw/zinc/12/09/84/805120984.db2.gz VUVPRBKFGSKWFV-GFCCVEGCSA-N -1 0 315.351 -0.497 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NS(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000819091630 805121240 /nfs/dbraw/zinc/12/12/40/805121240.db2.gz INPVAYDWUONFNY-MGCOHNPYSA-N -1 0 320.367 -0.477 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2cnn(CC3CC3)c2)C1 ZINC000819095412 805121477 /nfs/dbraw/zinc/12/14/77/805121477.db2.gz VUVPRBKFGSKWFV-LBPRGKRZSA-N -1 0 315.351 -0.497 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCCS(C)(=O)=O)c1 ZINC000819123784 805122158 /nfs/dbraw/zinc/12/21/58/805122158.db2.gz CAAOMLNYKYPIIT-LJQANCHMSA-N -1 0 319.404 -0.036 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)cn1 ZINC000819102149 805122870 /nfs/dbraw/zinc/12/28/70/805122870.db2.gz FAXTZZYCZUINOF-WPRPVWTQSA-N -1 0 303.340 -0.422 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC(=O)[N-]Oc2ccccc2)c1 ZINC000820048642 805142129 /nfs/dbraw/zinc/14/21/29/805142129.db2.gz BHVUCBYODBPJHE-UHFFFAOYSA-N -1 0 310.335 -0.191 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001287886629 805142503 /nfs/dbraw/zinc/14/25/03/805142503.db2.gz MZSKSBCLNMAASG-GNKRQNHBSA-N -1 0 323.353 -0.239 20 0 DBADRM C[C@@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)n1cccn1 ZINC000820124100 805144839 /nfs/dbraw/zinc/14/48/39/805144839.db2.gz NWKLNZQJLVZNOM-JTQLQIEISA-N -1 0 302.356 -0.473 20 0 DBADRM O=C(Cn1cc(-c2ccccc2)nn1)Nn1c(=O)[n-][nH]c1=O ZINC000820288012 805151916 /nfs/dbraw/zinc/15/19/16/805151916.db2.gz GZBVKBUYXWQIRU-UHFFFAOYSA-N -1 0 301.266 -0.282 20 0 DBADRM COc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1-n1cnnn1 ZINC000820287802 805152207 /nfs/dbraw/zinc/15/22/07/805152207.db2.gz DDDILSSOTVRBLI-UHFFFAOYSA-N -1 0 318.253 -0.943 20 0 DBADRM NC(=O)CSc1ccccc1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000820289600 805152911 /nfs/dbraw/zinc/15/29/11/805152911.db2.gz ZHRMMKVYNDXAJN-UHFFFAOYSA-N -1 0 309.307 -0.349 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)/C=C/[C@H]1CCCO1 ZINC000820320542 805153348 /nfs/dbraw/zinc/15/33/48/805153348.db2.gz WQARWILIUYKWKZ-SGUJLRQBSA-N -1 0 307.368 -0.169 20 0 DBADRM O=C(C[C@H]1Oc2ccccc2NC1=O)Nn1c(=O)[n-][nH]c1=O ZINC000820293135 805153463 /nfs/dbraw/zinc/15/34/63/805153463.db2.gz ZKAMLJHWRKCVDB-MRVPVSSYSA-N -1 0 305.250 -0.451 20 0 DBADRM CCOC(=O)c1cc(NC(=O)C(=O)NCCC(=O)[O-])cn1C ZINC000820369052 805154552 /nfs/dbraw/zinc/15/45/52/805154552.db2.gz LAJVAGXSAIDKEI-UHFFFAOYSA-N -1 0 311.294 -0.269 20 0 DBADRM CCn1ncn([N-]C(=O)c2ccccc2S(C)(=O)=O)c1=O ZINC000820391938 805155488 /nfs/dbraw/zinc/15/54/88/805155488.db2.gz RYQQOLXONLOVHB-UHFFFAOYSA-N -1 0 310.335 -0.148 20 0 DBADRM CC[C@@]1(C)CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000820950096 805169316 /nfs/dbraw/zinc/16/93/16/805169316.db2.gz JNHHNTRFVOQOSK-AWEZNQCLSA-N -1 0 319.369 -0.110 20 0 DBADRM CC(C)(C)C[C@H](O)[C@H](NS(=O)(=O)[C@H]1CCOC1)C(=O)[O-] ZINC000821248294 805176631 /nfs/dbraw/zinc/17/66/31/805176631.db2.gz KGGNTMFWJLPRHC-GUBZILKMSA-N -1 0 309.384 -0.055 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C(F)=C2CCC2)CC1 ZINC000821191947 805177080 /nfs/dbraw/zinc/17/70/80/805177080.db2.gz GFYCUCWYELBPMI-UHFFFAOYSA-N -1 0 319.358 -0.081 20 0 DBADRM Cc1nnnn1-c1cc(NCC(=O)NCC(=O)[O-])ccc1F ZINC000821224765 805177287 /nfs/dbraw/zinc/17/72/87/805177287.db2.gz KOEAFHDAMNUIFH-UHFFFAOYSA-N -1 0 308.273 -0.277 20 0 DBADRM CC(C)=CC(=O)N(C)C1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001288287805 805180494 /nfs/dbraw/zinc/18/04/94/805180494.db2.gz GCWLFBLXCKWATJ-UHFFFAOYSA-N -1 0 321.337 -0.032 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cccnc1OC ZINC000821598864 805186521 /nfs/dbraw/zinc/18/65/21/805186521.db2.gz WGPINEBHKGHXFO-UHFFFAOYSA-N -1 0 302.308 -0.287 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cn2ccccc2n1 ZINC000821598850 805186874 /nfs/dbraw/zinc/18/68/74/805186874.db2.gz VPVSHMSMGUGMCC-UHFFFAOYSA-N -1 0 311.319 -0.043 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H]1CSCCS1 ZINC000821597283 805186948 /nfs/dbraw/zinc/18/69/48/805186948.db2.gz NCNWVEXQSLGZMR-ZETCQYMHSA-N -1 0 313.422 -0.156 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cc(C2CC2)n[nH]1 ZINC000821598586 805187065 /nfs/dbraw/zinc/18/70/65/805187065.db2.gz JSXOLITYOPYNLI-UHFFFAOYSA-N -1 0 301.324 -0.090 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000821744555 805190306 /nfs/dbraw/zinc/19/03/06/805190306.db2.gz XFNVYLOSCHTZCM-UHFFFAOYSA-N -1 0 319.317 -0.256 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000823328289 805230475 /nfs/dbraw/zinc/23/04/75/805230475.db2.gz AKSPVNWCPNIGGE-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823575707 805235069 /nfs/dbraw/zinc/23/50/69/805235069.db2.gz XGTRXIHTKCFXRS-NWDGAFQWSA-N -1 0 313.354 -0.118 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCN(C)CC3)cc2=O)n1 ZINC000823789363 805242556 /nfs/dbraw/zinc/24/25/56/805242556.db2.gz GGIAYORUXSKBDN-UHFFFAOYSA-N -1 0 316.365 -0.040 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CSCN1C(=O)OCC ZINC000824004422 805247289 /nfs/dbraw/zinc/24/72/89/805247289.db2.gz VISQFZDKDPFRKM-MRVPVSSYSA-N -1 0 305.356 -0.298 20 0 DBADRM O=C(CCc1nnn[n-]1)NN1C(=O)NC2(CCCCC2)C1=O ZINC001290405557 805249864 /nfs/dbraw/zinc/24/98/64/805249864.db2.gz UQLZGEHWFAIJAW-UHFFFAOYSA-N -1 0 307.314 -0.582 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001292466019 805274947 /nfs/dbraw/zinc/27/49/47/805274947.db2.gz FLGKBSFXDNRUIT-BDAKNGLRSA-N -1 0 311.342 -0.642 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)Cc1noc(C)c1-c1nn[nH]n1 ZINC000825464893 805280400 /nfs/dbraw/zinc/28/04/00/805280400.db2.gz DYLFRYWYDYITIS-ZCFIWIBFSA-N -1 0 307.314 -0.654 20 0 DBADRM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000825864804 805287357 /nfs/dbraw/zinc/28/73/57/805287357.db2.gz AOCSVYANYBKJOR-VWYCJHECSA-N -1 0 313.354 -0.132 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)[C@H]2COCCN2C(=O)[O-])CCO1 ZINC000825988980 805288892 /nfs/dbraw/zinc/28/88/92/805288892.db2.gz RAYVXKIXIJXKJI-NXEZZACHSA-N -1 0 316.310 -0.844 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N(CC(=O)[O-])C1CC1)n1cccn1 ZINC000825972654 805289206 /nfs/dbraw/zinc/28/92/06/805289206.db2.gz ZVTWMYKRCHGLGY-SNVBAGLBSA-N -1 0 308.338 -0.022 20 0 DBADRM CO[C@@H]1[C@@H](C)[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1(C)C ZINC000826144214 805300530 /nfs/dbraw/zinc/30/05/30/805300530.db2.gz DRQJTIHMPFAZBM-UJNFCWOMSA-N -1 0 320.357 -0.366 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826450042 805310712 /nfs/dbraw/zinc/31/07/12/805310712.db2.gz UZHVIPYGEMHSFH-ZETCQYMHSA-N -1 0 312.311 -0.957 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000826560545 805315627 /nfs/dbraw/zinc/31/56/27/805315627.db2.gz SWTDTQRBSDOGSA-MNOVXSKESA-N -1 0 316.379 -0.096 20 0 DBADRM C[S@](=O)CCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000827105735 805327502 /nfs/dbraw/zinc/32/75/02/805327502.db2.gz HBLCHGKLQDRKML-IBGZPJMESA-N -1 0 320.392 -0.462 20 0 DBADRM CCN(CCNC(=O)CCC[C@]1(C)NC(=O)NC1=O)C(=O)[O-] ZINC000827134956 805329172 /nfs/dbraw/zinc/32/91/72/805329172.db2.gz QROHVGKQPVGRDI-ZDUSSCGKSA-N -1 0 314.342 -0.129 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000827475023 805340029 /nfs/dbraw/zinc/34/00/29/805340029.db2.gz DJGNVJGMWJPMKN-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CCS(=O)(=O)NCC(=O)NC1(CNC(=O)[O-])CCCC1 ZINC000827476136 805340505 /nfs/dbraw/zinc/34/05/05/805340505.db2.gz TZMPBBXAZDSWNR-UHFFFAOYSA-N -1 0 307.372 -0.378 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001292807414 805342118 /nfs/dbraw/zinc/34/21/18/805342118.db2.gz RRIXZOGVPKIPCX-VHSXEESVSA-N -1 0 323.353 -0.642 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)CC[C@@H]1C(=O)[O-] ZINC000827903341 805356499 /nfs/dbraw/zinc/35/64/99/805356499.db2.gz ZTCFOHQJVOINKB-MNOVXSKESA-N -1 0 322.365 -0.050 20 0 DBADRM C[C@H]1CC(=O)NCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000828150415 805365854 /nfs/dbraw/zinc/36/58/54/805365854.db2.gz QDLWSKCIJOLOHA-VIFPVBQESA-N -1 0 319.383 -0.762 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)[C@H]1CC[C@H](F)C1 ZINC001293029210 805374818 /nfs/dbraw/zinc/37/48/18/805374818.db2.gz XWUBVRDCWTYOLL-YUMQZZPRSA-N -1 0 315.305 -0.940 20 0 DBADRM CN1C(=S)N=NC1[C@H]1CCCN(C(=O)CCc2nnn[n-]2)C1 ZINC001293158557 805391087 /nfs/dbraw/zinc/39/10/87/805391087.db2.gz RAMIFTUJHCKKHT-QMMMGPOBSA-N -1 0 322.398 -0.044 20 0 DBADRM CC[S@@](=O)CCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC000829294445 805393272 /nfs/dbraw/zinc/39/32/72/805393272.db2.gz REJYUSIZQZTFDZ-GOSISDBHSA-N -1 0 306.365 -0.173 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)C[C@@H]2CCC(=O)N2)c1[O-] ZINC001293242792 805402188 /nfs/dbraw/zinc/40/21/88/805402188.db2.gz DTIYIJDGGZIURL-VIFPVBQESA-N -1 0 323.353 -0.671 20 0 DBADRM Cc1cncn1CC(=O)NCCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001293250656 805403572 /nfs/dbraw/zinc/40/35/72/805403572.db2.gz XFMRQANEPKCKRO-UHFFFAOYSA-N -1 0 320.353 -0.135 20 0 DBADRM O=C([O-])C[C@H]1CN(S(=O)(=O)C[C@@H]2CCCOC2)CCO1 ZINC000829896178 805404129 /nfs/dbraw/zinc/40/41/29/805404129.db2.gz LNUYIDXSFGUQBW-MNOVXSKESA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cnn(CC3CC3)c2)CCO1 ZINC000829874100 805404157 /nfs/dbraw/zinc/40/41/57/805404157.db2.gz REMFZXUODJHMEO-NSHDSACASA-N -1 0 315.351 -0.233 20 0 DBADRM O=C([O-])[C@]12CN(S(=O)(=O)C[C@H]3CCOC3)C[C@H]1COCC2 ZINC000830057664 805417551 /nfs/dbraw/zinc/41/75/51/805417551.db2.gz DNKLYYNETWWLPE-GMXVVIOVSA-N -1 0 319.379 -0.224 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000830053722 805418158 /nfs/dbraw/zinc/41/81/58/805418158.db2.gz REOZVTVZTTYHNL-MRBYEJRBSA-N -1 0 319.379 -0.083 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@]2(O)CCOC2)C1 ZINC000830795809 805440360 /nfs/dbraw/zinc/44/03/60/805440360.db2.gz QAONKQSABRBLHX-WDEREUQCSA-N -1 0 310.272 -0.193 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@]2(O)CCOC2)C1 ZINC000830795806 805440417 /nfs/dbraw/zinc/44/04/17/805440417.db2.gz QAONKQSABRBLHX-GHMZBOCLSA-N -1 0 310.272 -0.193 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000830801532 805440768 /nfs/dbraw/zinc/44/07/68/805440768.db2.gz LXIJDVKVCTUNLY-LHLIQPBNSA-N -1 0 309.244 -0.236 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000830795736 805441110 /nfs/dbraw/zinc/44/11/10/805441110.db2.gz OIQKJOAPJNEOBL-CPCISQLKSA-N -1 0 307.272 -0.208 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000830795738 805441352 /nfs/dbraw/zinc/44/13/52/805441352.db2.gz OIQKJOAPJNEOBL-RDDDGLTNSA-N -1 0 307.272 -0.208 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000830996445 805444035 /nfs/dbraw/zinc/44/40/35/805444035.db2.gz AQFKBBHPZCSKHG-UHFFFAOYSA-N -1 0 317.305 -0.097 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000831261078 805450363 /nfs/dbraw/zinc/45/03/63/805450363.db2.gz VBCBZAUKXKJGSG-ZCFIWIBFSA-N -1 0 311.298 -0.410 20 0 DBADRM O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])NC[C@H]1CCCO1 ZINC000831504686 805455122 /nfs/dbraw/zinc/45/51/22/805455122.db2.gz YOQBHYOUQXOSQI-NXEZZACHSA-N -1 0 316.310 -0.796 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](CO)C2CC2)c1 ZINC000831587412 805457863 /nfs/dbraw/zinc/45/78/63/805457863.db2.gz KGCDOWZVSVSBKN-SNVBAGLBSA-N -1 0 300.336 -0.460 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](CO)C2CC2)c1 ZINC000831587411 805458556 /nfs/dbraw/zinc/45/85/56/805458556.db2.gz KGCDOWZVSVSBKN-JTQLQIEISA-N -1 0 300.336 -0.460 20 0 DBADRM CN(CCCNC(=O)C1CC=CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001294002841 805458829 /nfs/dbraw/zinc/45/88/29/805458829.db2.gz RQTLMZXOYDVWIL-UHFFFAOYSA-N -1 0 321.337 -0.173 20 0 DBADRM O=C([N-]N1CCc2ccccc2C1=O)c1nc2n(n1)CCCN2 ZINC000831858265 805466945 /nfs/dbraw/zinc/46/69/45/805466945.db2.gz OGHDTXCWVJXOTK-UHFFFAOYSA-N -1 0 312.333 -0.306 20 0 DBADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001294124212 805466890 /nfs/dbraw/zinc/46/68/90/805466890.db2.gz VTGAMONUYCOQMU-SSDOTTSWSA-N -1 0 317.261 -0.695 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)CCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001294222324 805472790 /nfs/dbraw/zinc/47/27/90/805472790.db2.gz DYHIUHKATYDSTR-IUCAKERBSA-N -1 0 311.342 -0.690 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)CCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001294222325 805472946 /nfs/dbraw/zinc/47/29/46/805472946.db2.gz DYHIUHKATYDSTR-RKDXNWHRSA-N -1 0 311.342 -0.690 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)[N-]OCc1ccc(F)cc1 ZINC000832162308 805473391 /nfs/dbraw/zinc/47/33/91/805473391.db2.gz FVGVCFVXLSEGHG-UHFFFAOYSA-N -1 0 305.331 -0.231 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)nnn2C ZINC000832359166 805479015 /nfs/dbraw/zinc/47/90/15/805479015.db2.gz YXERYYNKMKPJIB-UHFFFAOYSA-N -1 0 307.310 -0.009 20 0 DBADRM COC(=O)CN1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000832480076 805482225 /nfs/dbraw/zinc/48/22/25/805482225.db2.gz HTWBBZRLDJBCPI-UHFFFAOYSA-N -1 0 320.305 -0.141 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000832748234 805489968 /nfs/dbraw/zinc/48/99/68/805489968.db2.gz CHRWOYMBKXHGRU-OAHLLOKOSA-N -1 0 305.334 -0.372 20 0 DBADRM CO[N-]C(=O)CNC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000832758101 805490034 /nfs/dbraw/zinc/49/00/34/805490034.db2.gz SOAXFGSLOLJTKR-UHFFFAOYSA-N -1 0 301.249 -0.512 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000832746055 805490309 /nfs/dbraw/zinc/49/03/09/805490309.db2.gz WGGZUKKVNOSAEO-HTQZYQBOSA-N -1 0 314.260 -0.236 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@]1(Cc2ccccc2)CCN(C)C1=O ZINC000832745932 805490824 /nfs/dbraw/zinc/49/08/24/805490824.db2.gz UANXWVLLGJGXFA-MRXNPFEDSA-N -1 0 319.361 -0.129 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cn(CCc2ccccc2)nn1 ZINC000832749416 805490864 /nfs/dbraw/zinc/49/08/64/805490864.db2.gz VCUNOLOAKIZGMP-UHFFFAOYSA-N -1 0 303.322 -0.072 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000832746062 805490871 /nfs/dbraw/zinc/49/08/71/805490871.db2.gz WGGZUKKVNOSAEO-YUMQZZPRSA-N -1 0 314.260 -0.236 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 ZINC000832776140 805491378 /nfs/dbraw/zinc/49/13/78/805491378.db2.gz HKRXXGFAWQPQHW-GFCCVEGCSA-N -1 0 307.306 -0.406 20 0 DBADRM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCC(=O)[N-]OC ZINC000832769389 805491766 /nfs/dbraw/zinc/49/17/66/805491766.db2.gz GFHSUBDIKDYAHV-BDAKNGLRSA-N -1 0 303.384 -0.272 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000832767129 805491799 /nfs/dbraw/zinc/49/17/99/805491799.db2.gz VNZBNTSDNKCVHV-UHFFFAOYSA-N -1 0 321.333 -0.014 20 0 DBADRM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCC(=O)[N-]OC ZINC000832769391 805491855 /nfs/dbraw/zinc/49/18/55/805491855.db2.gz GFHSUBDIKDYAHV-IUCAKERBSA-N -1 0 303.384 -0.272 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000832767026 805491970 /nfs/dbraw/zinc/49/19/70/805491970.db2.gz RWBSFRCCQXXADK-QMMMGPOBSA-N -1 0 303.384 -0.272 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)CCc1cn(CC(=O)[O-])nn1 ZINC000833666086 805494937 /nfs/dbraw/zinc/49/49/37/805494937.db2.gz QCFWDBKGQLFQHV-JTQLQIEISA-N -1 0 318.399 -0.340 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NCc2nnc3n2CCC3)n1 ZINC000833277563 805494961 /nfs/dbraw/zinc/49/49/61/805494961.db2.gz SRJMFRVHAYLZFB-UHFFFAOYSA-N -1 0 305.298 -0.173 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCO[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000834160085 805496189 /nfs/dbraw/zinc/49/61/89/805496189.db2.gz RVBGUVFOYHCLQW-GRYCIOLGSA-N -1 0 313.354 -0.308 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000834158794 805496305 /nfs/dbraw/zinc/49/63/05/805496305.db2.gz VYZGAUJYMIGVBN-NEPJUHHUSA-N -1 0 322.369 -0.184 20 0 DBADRM COC(=O)CCN1CCN(C(=O)NCCNC(=O)[O-])[C@@H](C)C1 ZINC000833878592 805496398 /nfs/dbraw/zinc/49/63/98/805496398.db2.gz IKPQJNUIEACVBI-JTQLQIEISA-N -1 0 316.358 -0.467 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCO[C@H]([C@H]3CCCO3)C2)C1 ZINC000834160090 805496421 /nfs/dbraw/zinc/49/64/21/805496421.db2.gz RVBGUVFOYHCLQW-UTUOFQBUSA-N -1 0 313.354 -0.308 20 0 DBADRM O=C([O-])NCC1(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CCCC1 ZINC000834208102 805496547 /nfs/dbraw/zinc/49/65/47/805496547.db2.gz VUMLZQPIDYOMCF-SECBINFHSA-N -1 0 324.337 -0.423 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccncc1Cl ZINC000834324910 805497245 /nfs/dbraw/zinc/49/72/45/805497245.db2.gz NFRFDLRPEVOXIX-UHFFFAOYSA-N -1 0 319.770 -0.140 20 0 DBADRM CC[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(OC)OC ZINC000834415503 805500901 /nfs/dbraw/zinc/50/09/01/805500901.db2.gz QXSGVWJJUDRUSI-SECBINFHSA-N -1 0 309.326 -0.415 20 0 DBADRM CC[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(OC)OC ZINC000834415509 805500981 /nfs/dbraw/zinc/50/09/81/805500981.db2.gz QXSGVWJJUDRUSI-VIFPVBQESA-N -1 0 309.326 -0.415 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)[N-]OCC(C)(C)O ZINC000834618405 805513394 /nfs/dbraw/zinc/51/33/94/805513394.db2.gz NYXIYRPDJJOISU-VIFPVBQESA-N -1 0 303.359 -0.789 20 0 DBADRM CCc1csc(S(=O)(=O)[N-]C(=O)c2cnn(C)n2)n1 ZINC000835590284 805521712 /nfs/dbraw/zinc/52/17/12/805521712.db2.gz LTDSHQFKMQKXLM-UHFFFAOYSA-N -1 0 301.353 -0.047 20 0 DBADRM CC1=C(C(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@@H](C)n2ncnc2N1C ZINC000836716634 805528015 /nfs/dbraw/zinc/52/80/15/805528015.db2.gz ZQKSHGQFVWDWHD-NXEZZACHSA-N -1 0 321.337 -0.125 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000836902985 805529483 /nfs/dbraw/zinc/52/94/83/805529483.db2.gz YFFYERAYOVTHKK-IINYFYTJSA-N -1 0 313.354 -0.228 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)Cn1nnc2ccccc2c1=O ZINC000836900610 805529606 /nfs/dbraw/zinc/52/96/06/805529606.db2.gz HBPNCEGLHLJNFH-GFCCVEGCSA-N -1 0 306.322 -0.144 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000836897159 805529816 /nfs/dbraw/zinc/52/98/16/805529816.db2.gz DLSDGJAQPOYAEI-NWDGAFQWSA-N -1 0 312.370 -0.033 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)Cn1nnc2ccccc2c1=O ZINC000836900618 805530202 /nfs/dbraw/zinc/53/02/02/805530202.db2.gz HBPNCEGLHLJNFH-LBPRGKRZSA-N -1 0 306.322 -0.144 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000836908739 805531576 /nfs/dbraw/zinc/53/15/76/805531576.db2.gz WKRFLQHSKYWRAK-SNVBAGLBSA-N -1 0 313.354 -0.084 20 0 DBADRM C[C@](CO)(CNS(=O)(=O)c1c[nH]nc1Cl)CC(=O)[O-] ZINC000837291056 805532103 /nfs/dbraw/zinc/53/21/03/805532103.db2.gz CXGYDDGETVDAKZ-SECBINFHSA-N -1 0 311.747 -0.185 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)Cc1ccccc1OC ZINC000838804067 805545923 /nfs/dbraw/zinc/54/59/23/805545923.db2.gz TWYUVCAWPBVPGY-UHFFFAOYSA-N -1 0 301.320 -0.143 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1COc2ccccc2C1 ZINC000838804381 805545939 /nfs/dbraw/zinc/54/59/39/805545939.db2.gz UHLLMTLWIOBFSD-SNVBAGLBSA-N -1 0 313.331 -0.143 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)COc1ccc(C)cc1 ZINC000838801632 805546098 /nfs/dbraw/zinc/54/60/98/805546098.db2.gz BHARHTPKGIVJDS-UHFFFAOYSA-N -1 0 301.320 -0.007 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCn1nc(C)cc1C ZINC000838849585 805546663 /nfs/dbraw/zinc/54/66/63/805546663.db2.gz XMKYPCAUYIDQFD-UHFFFAOYSA-N -1 0 317.367 -0.101 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)COCc1cccc(Cl)c1 ZINC000838856883 805547917 /nfs/dbraw/zinc/54/79/17/805547917.db2.gz USWVDZZLFLKVNU-UHFFFAOYSA-N -1 0 320.754 -0.212 20 0 DBADRM CCCc1cc(C(=O)[N-]S(=O)(=O)CC(=O)OCC)[nH]n1 ZINC000838849619 805548202 /nfs/dbraw/zinc/54/82/02/805548202.db2.gz YOWHHDGIBAJQQV-UHFFFAOYSA-N -1 0 303.340 -0.015 20 0 DBADRM Cn1cccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000839063565 805549813 /nfs/dbraw/zinc/54/98/13/805549813.db2.gz POJOBIOKGKPKML-SECBINFHSA-N -1 0 311.363 -0.159 20 0 DBADRM C[C@@H](O)[C@@H](CO)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000839798482 805559969 /nfs/dbraw/zinc/55/99/69/805559969.db2.gz VDCPEOOEOSSRLF-LDYMZIIASA-N -1 0 323.374 -0.457 20 0 DBADRM CNC(=O)[C@H](O)CNC(=O)c1cccc(Br)c1[O-] ZINC000839741360 805560003 /nfs/dbraw/zinc/56/00/03/805560003.db2.gz QRIVONTWTXKEIL-MRVPVSSYSA-N -1 0 317.139 -0.009 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000883414101 807013111 /nfs/dbraw/zinc/01/31/11/807013111.db2.gz LOVNLRPAXISOKG-PHIMTYICSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])CC(=O)N1CCO[C@H](C)C1 ZINC000883413933 807013666 /nfs/dbraw/zinc/01/36/66/807013666.db2.gz GVWYHTYHNIWVLF-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(F)CC2)C1 ZINC000883635913 807018783 /nfs/dbraw/zinc/01/87/83/807018783.db2.gz DIRVMRIIRANVRK-CQSZACIVSA-N -1 0 316.329 -0.103 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cn2ccnc12 ZINC001324953107 807019112 /nfs/dbraw/zinc/01/91/12/807019112.db2.gz QBJDRCCFFJOWKF-UHFFFAOYSA-N -1 0 315.293 -0.279 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC2(CC1)COCCO2 ZINC000883710596 807023437 /nfs/dbraw/zinc/02/34/37/807023437.db2.gz PDSHUGYXOZZXME-UHFFFAOYSA-N -1 0 301.343 -0.355 20 0 DBADRM CCOC(=O)CC[C@@H](C)NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001325141576 807039561 /nfs/dbraw/zinc/03/95/61/807039561.db2.gz LDJHAQTYEDUPFC-MNOVXSKESA-N -1 0 316.354 -0.081 20 0 DBADRM O=C(C[C@H]1C=CCC1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001325173369 807045156 /nfs/dbraw/zinc/04/51/56/807045156.db2.gz BXMYGZDVMNXQHQ-JTQLQIEISA-N -1 0 307.354 -0.471 20 0 DBADRM NC(=O)CO[N-]C(=O)Cc1csc(N2CCOCC2)n1 ZINC001325291665 807057178 /nfs/dbraw/zinc/05/71/78/807057178.db2.gz RABOVDQVBVBUKG-UHFFFAOYSA-N -1 0 300.340 -0.945 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NCCN2CCNC2=O)cc1 ZINC000884693221 807070747 /nfs/dbraw/zinc/07/07/47/807070747.db2.gz QMBTVJXFIHAABR-UHFFFAOYSA-N -1 0 317.353 -0.411 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)[N-]OC2CCCCC2)O1 ZINC001325547032 807079814 /nfs/dbraw/zinc/07/98/14/807079814.db2.gz MYRWOZAOSGSFTO-QWRGUYRKSA-N -1 0 313.354 -0.484 20 0 DBADRM CCOC(=O)C[C@H](C)CNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001325642670 807087157 /nfs/dbraw/zinc/08/71/57/807087157.db2.gz QQATZUYNFOTISB-QWRGUYRKSA-N -1 0 316.354 -0.224 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)[N-]OCCSC)n1 ZINC001325946536 807121340 /nfs/dbraw/zinc/12/13/40/807121340.db2.gz GONYNUSYKDLFEI-UHFFFAOYSA-N -1 0 301.372 -0.367 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)C2O)C(=O)[O-] ZINC001326039766 807136832 /nfs/dbraw/zinc/13/68/32/807136832.db2.gz TZZKZPFUMDCUCV-YIBTVLSRSA-N -1 0 312.366 -0.215 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CCCF)C1 ZINC000887054170 807146558 /nfs/dbraw/zinc/14/65/58/807146558.db2.gz ROGBACVGDQVKEZ-CYBMUJFWSA-N -1 0 304.318 -0.246 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O ZINC001326117599 807147376 /nfs/dbraw/zinc/14/73/76/807147376.db2.gz RFDKDMSMBKPUFD-UHFFFAOYSA-N -1 0 305.290 -0.048 20 0 DBADRM O=C([O-])[C@@H]1CCCCN1C(=O)CN1CCCCS1(=O)=O ZINC000887325427 807154992 /nfs/dbraw/zinc/15/49/92/807154992.db2.gz PDPWOFZMMLJJLP-JTQLQIEISA-N -1 0 304.368 -0.122 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC001326189451 807158265 /nfs/dbraw/zinc/15/82/65/807158265.db2.gz ZRUSQOXHKFAQHE-SNVBAGLBSA-N -1 0 324.337 -0.161 20 0 DBADRM CC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC001326239191 807163316 /nfs/dbraw/zinc/16/33/16/807163316.db2.gz GLTLKPAXPPSFFN-LLVKDONJSA-N -1 0 313.354 -0.658 20 0 DBADRM C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ncn(C)n1 ZINC001326276332 807166583 /nfs/dbraw/zinc/16/65/83/807166583.db2.gz FRUVTTUAHWCNIA-XHNCKOQMSA-N -1 0 309.326 -0.638 20 0 DBADRM C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC001326344940 807172705 /nfs/dbraw/zinc/17/27/05/807172705.db2.gz XSONGWPLZGUWGO-ZETCQYMHSA-N -1 0 304.314 -0.378 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCc1nnc2n1CCCC2 ZINC001326548036 807192546 /nfs/dbraw/zinc/19/25/46/807192546.db2.gz TUBYYOILFZKDDK-UHFFFAOYSA-N -1 0 309.326 -0.788 20 0 DBADRM COC1(C(=O)[N-]OCCOc2ccccc2)CS(=O)(=O)C1 ZINC000889442617 807195743 /nfs/dbraw/zinc/19/57/43/807195743.db2.gz UWQMIXCGGLXZCY-UHFFFAOYSA-N -1 0 315.347 -0.073 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001326651590 807202036 /nfs/dbraw/zinc/20/20/36/807202036.db2.gz LHZUJIRVEPFBJG-ZJUUUORDSA-N -1 0 322.383 -0.990 20 0 DBADRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001326779089 807210938 /nfs/dbraw/zinc/21/09/38/807210938.db2.gz UNYIMAXZLLTCGW-VIFPVBQESA-N -1 0 324.337 -0.634 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NC[C@@H](c1ccco1)N(C)C)C(=O)[O-] ZINC001326848206 807218196 /nfs/dbraw/zinc/21/81/96/807218196.db2.gz XTEJHXSHPDSQPU-UWVGGRQHSA-N -1 0 311.338 -0.165 20 0 DBADRM O=S1(=O)CC(CCN=c2nn[n-]n2Cc2ccccc2)C1 ZINC000893412241 807220350 /nfs/dbraw/zinc/22/03/50/807220350.db2.gz KYFUMXIVUGUJBG-UHFFFAOYSA-N -1 0 307.379 -0.010 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000898560463 807225594 /nfs/dbraw/zinc/22/55/94/807225594.db2.gz SWEXUHXWXGWUQT-JTQLQIEISA-N -1 0 315.395 -0.476 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCC1CCOCC1 ZINC001326952772 807226824 /nfs/dbraw/zinc/22/68/24/807226824.db2.gz QOOJNXNPKWCEIE-UHFFFAOYSA-N -1 0 301.343 -0.897 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC001326998584 807230139 /nfs/dbraw/zinc/23/01/39/807230139.db2.gz FUQTZDIFOYIUHV-JTQLQIEISA-N -1 0 313.354 -0.612 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1 ZINC000898709747 807234757 /nfs/dbraw/zinc/23/47/57/807234757.db2.gz NQDMTSIXVAHVQB-UHIISALHSA-N -1 0 316.354 -0.477 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCOc2ccccc2C1 ZINC001327036711 807235150 /nfs/dbraw/zinc/23/51/50/807235150.db2.gz BBTKPTLFCLSHFY-UHFFFAOYSA-N -1 0 321.333 -0.409 20 0 DBADRM Cc1cn2ccnc(C(=O)[N-]N3C(=O)[C@H](C)N(C)C3=O)c2n1 ZINC000899036495 807244421 /nfs/dbraw/zinc/24/44/21/807244421.db2.gz USOYKCPXHQUVCV-QMMMGPOBSA-N -1 0 302.294 -0.035 20 0 DBADRM COCCCn1nc(C(=O)OCc2n[nH]c(=O)[n-]2)ccc1=O ZINC001327174780 807246200 /nfs/dbraw/zinc/24/62/00/807246200.db2.gz GKXMTVSRQAUDBW-UHFFFAOYSA-N -1 0 309.282 -0.540 20 0 DBADRM C[C@@H](O)CN(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001327445393 807284103 /nfs/dbraw/zinc/28/41/03/807284103.db2.gz RJPUQVLYMKYRCA-MRVPVSSYSA-N -1 0 312.326 -0.520 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCSC(C)(C)C ZINC001327492858 807292425 /nfs/dbraw/zinc/29/24/25/807292425.db2.gz NARRIMWROQOWEA-UHFFFAOYSA-N -1 0 305.400 -0.182 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC001327506762 807295301 /nfs/dbraw/zinc/29/53/01/807295301.db2.gz HJDOXKYTBNXGNU-VIFPVBQESA-N -1 0 301.343 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CCC[C@@H]1OC ZINC001327507710 807295519 /nfs/dbraw/zinc/29/55/19/807295519.db2.gz OGHPZTCFTGCFJW-ZJUUUORDSA-N -1 0 301.343 -0.898 20 0 DBADRM CO[N-]C(=O)CNC(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1 ZINC000900701722 807322822 /nfs/dbraw/zinc/32/28/22/807322822.db2.gz SWFIFSLVMUHASF-VHSXEESVSA-N -1 0 302.327 -0.519 20 0 DBADRM COC[C@H](C)n1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])n1 ZINC001327680839 807323011 /nfs/dbraw/zinc/32/30/11/807323011.db2.gz SWKKERFJNLZBRL-IUCAKERBSA-N -1 0 312.326 -0.134 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)[N-]OCc1ccccc1OC ZINC001327701830 807326050 /nfs/dbraw/zinc/32/60/50/807326050.db2.gz KGCOBBUFVGJRDF-UHFFFAOYSA-N -1 0 323.349 -0.115 20 0 DBADRM O=C([O-])[C@@H]1COCCN1c1ccc(C(=O)N2CCOCC2)cn1 ZINC000900947092 807334879 /nfs/dbraw/zinc/33/48/79/807334879.db2.gz XOLTUQHAVAPHOD-LBPRGKRZSA-N -1 0 321.333 -0.156 20 0 DBADRM CN1CCN(c2cc(N3CCOC[C@@H]3C(=O)[O-])ncn2)CC1=O ZINC000900945753 807334888 /nfs/dbraw/zinc/33/48/88/807334888.db2.gz ODUKUEPWWMTEAD-SNVBAGLBSA-N -1 0 321.337 -0.955 20 0 DBADRM O=C([O-])[C@@H]1COCCN1c1ccnc(C(=O)N2CCOCC2)c1 ZINC000900945378 807335192 /nfs/dbraw/zinc/33/51/92/807335192.db2.gz KDVDZRFWNJOHMG-ZDUSSCGKSA-N -1 0 321.333 -0.156 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1ccnc2c1CCN2 ZINC000901039772 807342031 /nfs/dbraw/zinc/34/20/31/807342031.db2.gz JBKHJYAYACMTJU-VIFPVBQESA-N -1 0 311.363 -0.173 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2=O)cn1 ZINC000901440654 807363641 /nfs/dbraw/zinc/36/36/41/807363641.db2.gz YGDGRZIYJSYZRK-NXEZZACHSA-N -1 0 306.322 -0.294 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1CNC(=O)c2ccccc21 ZINC000901572687 807364627 /nfs/dbraw/zinc/36/46/27/807364627.db2.gz RELRENXMALGMQU-RYUDHWBXSA-N -1 0 304.302 -0.174 20 0 DBADRM COC[C@@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)C[C@H](C)O1 ZINC000901619252 807365099 /nfs/dbraw/zinc/36/50/99/807365099.db2.gz SHTNQPVLEVMWAN-QWRGUYRKSA-N -1 0 324.333 -0.191 20 0 DBADRM CN(C)C(=O)NCCN(C)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC000901625794 807365549 /nfs/dbraw/zinc/36/55/49/807365549.db2.gz UJSIDXMUHLDYCZ-MNOVXSKESA-N -1 0 315.370 -0.014 20 0 DBADRM CCc1nsc(N2CCN(C(=O)[C@H](OC)C(=O)[O-])CC2)n1 ZINC000901798836 807365854 /nfs/dbraw/zinc/36/58/54/807365854.db2.gz OLOVWCRCTYMBNU-VIFPVBQESA-N -1 0 314.367 -0.151 20 0 DBADRM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@H](OC)C(=O)[O-])CC2 ZINC000901804923 807365879 /nfs/dbraw/zinc/36/58/79/807365879.db2.gz HQXYBTXQLUQESC-MXWKQRLJSA-N -1 0 301.339 -0.136 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000901745831 807366141 /nfs/dbraw/zinc/36/61/41/807366141.db2.gz DYWXFDJQRYGDPR-VXGBXAGGSA-N -1 0 308.334 -0.098 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CCN2C1=O ZINC000901850788 807366419 /nfs/dbraw/zinc/36/64/19/807366419.db2.gz YMLNDCNZPRJFND-OPRDCNLKSA-N -1 0 309.322 -0.408 20 0 DBADRM CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](OC)C(=O)[O-] ZINC000901991646 807367304 /nfs/dbraw/zinc/36/73/04/807367304.db2.gz WSOZAAKIJDDEEN-RYUDHWBXSA-N -1 0 306.318 -0.215 20 0 DBADRM O=C([O-])CN(C(=O)CN1CCCCS1(=O)=O)C1CCC1 ZINC000902036989 807367557 /nfs/dbraw/zinc/36/75/57/807367557.db2.gz UUGLYAZUHGNJDE-UHFFFAOYSA-N -1 0 304.368 -0.122 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000902069725 807367866 /nfs/dbraw/zinc/36/78/66/807367866.db2.gz HQUJVRMEJXXIQK-LNLATYFQSA-N -1 0 304.368 -0.411 20 0 DBADRM COC[C@]1(C)CN(C(=O)c2cccn(CC(=O)[O-])c2=O)CCO1 ZINC000902257875 807370495 /nfs/dbraw/zinc/37/04/95/807370495.db2.gz NOLALGCRDBULQR-HNNXBMFYSA-N -1 0 324.333 -0.190 20 0 DBADRM Cn1ncc(Br)c1CC(=O)NCCOCC(=O)[O-] ZINC000902297856 807371572 /nfs/dbraw/zinc/37/15/72/807371572.db2.gz QODOMKBPKIIOMD-UHFFFAOYSA-N -1 0 320.143 -0.058 20 0 DBADRM Cc1ncc2n1C[C@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)CC2 ZINC000902770342 807380535 /nfs/dbraw/zinc/38/05/35/807380535.db2.gz JKSRQZWGGNKOSC-LLVKDONJSA-N -1 0 320.349 -0.491 20 0 DBADRM Cc1ccn(C[C@H](C)C(=O)N2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC000902773254 807381506 /nfs/dbraw/zinc/38/15/06/807381506.db2.gz OQMNSJXTZZECMZ-JTQLQIEISA-N -1 0 308.338 -0.417 20 0 DBADRM C[C@]1(Br)C[C@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000902771358 807381584 /nfs/dbraw/zinc/38/15/84/807381584.db2.gz DKMWMTHQDPZAPJ-CPCISQLKSA-N -1 0 319.155 -0.085 20 0 DBADRM CC(C)c1cc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)n(C)n1 ZINC000902778797 807381763 /nfs/dbraw/zinc/38/17/63/807381763.db2.gz ILJSDOFRDUKNHZ-UHFFFAOYSA-N -1 0 308.338 -0.088 20 0 DBADRM Cn1ncc(C2CC2)c1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000902772702 807381864 /nfs/dbraw/zinc/38/18/64/807381864.db2.gz SOYVMZBMDZIGLX-UHFFFAOYSA-N -1 0 306.322 -0.334 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cnc3n2CCCCC3)CC1 ZINC000902772703 807381898 /nfs/dbraw/zinc/38/18/98/807381898.db2.gz SRKZZGKRIQGWMW-UHFFFAOYSA-N -1 0 320.349 -0.022 20 0 DBADRM CCn1ncc(Cl)c1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000902773084 807381939 /nfs/dbraw/zinc/38/19/39/807381939.db2.gz WBEYSOXRHSOYTP-UHFFFAOYSA-N -1 0 314.729 -0.075 20 0 DBADRM Cc1ccn(C[C@@H](C)C(=O)N2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC000902773255 807382123 /nfs/dbraw/zinc/38/21/23/807382123.db2.gz OQMNSJXTZZECMZ-SNVBAGLBSA-N -1 0 308.338 -0.417 20 0 DBADRM COCCN(C)S(=O)(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000903004898 807386050 /nfs/dbraw/zinc/38/60/50/807386050.db2.gz KRUXKCLRYWSGID-RNFRBKRXSA-N -1 0 302.299 -0.635 20 0 DBADRM CSC[C@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC000903054729 807387164 /nfs/dbraw/zinc/38/71/64/807387164.db2.gz PEANFMFPADJPED-VIFPVBQESA-N -1 0 312.413 -0.252 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000903511878 807392313 /nfs/dbraw/zinc/39/23/13/807392313.db2.gz YVZBYJTZCPOBCN-WHOHXGKFSA-N -1 0 316.379 -0.039 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NS(=O)(=O)N3CCOCC3)[C@@H]2C1 ZINC000903537972 807394490 /nfs/dbraw/zinc/39/44/90/807394490.db2.gz JGMOUWDJGCQLBP-DBIOUOCHSA-N -1 0 304.368 -0.348 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000903545963 807395353 /nfs/dbraw/zinc/39/53/53/807395353.db2.gz CWVRUQLLEKNURF-LBWRMUMUSA-N -1 0 302.352 -0.454 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1c(C2CC2)cnn1C ZINC001328257997 807401159 /nfs/dbraw/zinc/40/11/59/807401159.db2.gz MMDGRZGSUZFSEH-UHFFFAOYSA-N -1 0 310.354 -0.002 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)Cc2nncn2C)C[C@@H]1C(=O)[O-] ZINC001328400181 807422361 /nfs/dbraw/zinc/42/23/61/807422361.db2.gz DPDOKXAQWMOBAQ-UWVGGRQHSA-N -1 0 323.353 -0.657 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1nn2c(c1Br)CCC2 ZINC000904189394 807423541 /nfs/dbraw/zinc/42/35/41/807423541.db2.gz LGWHSSFJKBUBMY-UHFFFAOYSA-N -1 0 312.131 -0.211 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCCO[C@@H](C)C1 ZINC000904936254 807427850 /nfs/dbraw/zinc/42/78/50/807427850.db2.gz JRSVHSZTNNCUBC-NSHDSACASA-N -1 0 316.354 -0.427 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@@H](C)CC1 ZINC000904943761 807428008 /nfs/dbraw/zinc/42/80/08/807428008.db2.gz RQTXVLNWLJHNOW-NSHDSACASA-N -1 0 316.354 -0.427 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CN3CCCCS3(=O)=O)C[C@@H]21 ZINC000905006451 807437493 /nfs/dbraw/zinc/43/74/93/807437493.db2.gz OPEAPOIYXRIYIC-JFGNBEQYSA-N -1 0 316.379 -0.409 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCC(=O)N1CCCCC1 ZINC001328552240 807441370 /nfs/dbraw/zinc/44/13/70/807441370.db2.gz WDKPEEUGPACNSC-UHFFFAOYSA-N -1 0 301.343 -0.801 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001328606809 807447487 /nfs/dbraw/zinc/44/74/87/807447487.db2.gz QVOVHFXQDVGTSR-UHFFFAOYSA-N -1 0 311.382 -0.136 20 0 DBADRM CO[C@@](C)(C(=O)NCc1nc(=O)o[n-]1)C(=O)OC(C)(C)C ZINC001328648761 807452598 /nfs/dbraw/zinc/45/25/98/807452598.db2.gz SBHZLQXWMPNZTE-LBPRGKRZSA-N -1 0 301.299 -0.274 20 0 DBADRM COC1(CS(=O)(=O)[N-]CC(F)(F)CN)CCOCC1 ZINC000905344109 807455039 /nfs/dbraw/zinc/45/50/39/807455039.db2.gz WLOAMZVVWUBCTL-UHFFFAOYSA-N -1 0 302.343 -0.305 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C2CC2)nn1C ZINC001328727250 807461481 /nfs/dbraw/zinc/46/14/81/807461481.db2.gz MNLPWOJPBAJJOO-UHFFFAOYSA-N -1 0 309.326 -0.580 20 0 DBADRM CC(C)CC(=O)N1CCN(C(=O)C(=O)NCCC(=O)[O-])CC1 ZINC001328775931 807466736 /nfs/dbraw/zinc/46/67/36/807466736.db2.gz LPUZIRHKPYIHMJ-UHFFFAOYSA-N -1 0 313.354 -0.706 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)C(=O)[N-]OC[C@H]2CCOC2)C1=O ZINC001328846053 807475966 /nfs/dbraw/zinc/47/59/66/807475966.db2.gz PDNVGFPZORTAON-WDEREUQCSA-N -1 0 313.354 -0.804 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)C1=O ZINC001328846051 807476404 /nfs/dbraw/zinc/47/64/04/807476404.db2.gz PDNVGFPZORTAON-MNOVXSKESA-N -1 0 313.354 -0.804 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)[N-]OCc1ccccc1 ZINC001328872173 807481526 /nfs/dbraw/zinc/48/15/26/807481526.db2.gz BRLAKDYLMJFLCA-JTQLQIEISA-N -1 0 314.363 -0.216 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)CCSCC ZINC001328929478 807489597 /nfs/dbraw/zinc/48/95/97/807489597.db2.gz KEOFYEDILHQVME-VIFPVBQESA-N -1 0 305.400 -0.182 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1Cc2ccccc2C1 ZINC001328929511 807489809 /nfs/dbraw/zinc/48/98/09/807489809.db2.gz LAUBEPSOPSXOMX-UHFFFAOYSA-N -1 0 319.361 -0.299 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCOCC1CCC1 ZINC001328947031 807492098 /nfs/dbraw/zinc/49/20/98/807492098.db2.gz SUOZUMHQRQCEGR-UHFFFAOYSA-N -1 0 301.343 -0.897 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@H](OC)C12CCC2 ZINC001328963818 807495722 /nfs/dbraw/zinc/49/57/22/807495722.db2.gz DVIVIFUMTUOLKV-ZJUUUORDSA-N -1 0 313.354 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(Cc1ccccc1)OC ZINC001329000996 807503562 /nfs/dbraw/zinc/50/35/62/807503562.db2.gz PPAAUNOADBLABK-UHFFFAOYSA-N -1 0 309.322 -0.240 20 0 DBADRM CCOC[C@@H]1CCCCN1C(=O)C(=O)NCC(=O)[N-]OCC ZINC001328998535 807503813 /nfs/dbraw/zinc/50/38/13/807503813.db2.gz HYMRXTNHNBGTRE-NSHDSACASA-N -1 0 315.370 -0.412 20 0 DBADRM O=C(COCc1cc[nH]c(=O)c1)[N-]OCCN1CCCC1=O ZINC001329054392 807512332 /nfs/dbraw/zinc/51/23/32/807512332.db2.gz UCCOFRVQQOSRKV-UHFFFAOYSA-N -1 0 309.322 -0.026 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N=c2ccnc3n(C)[nH]cc2-3)[nH]n1 ZINC001329063650 807513133 /nfs/dbraw/zinc/51/31/33/807513133.db2.gz ROJXBELBHSFSRK-UHFFFAOYSA-N -1 0 313.321 -0.372 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1)C(=O)[O-] ZINC001329113344 807523282 /nfs/dbraw/zinc/52/32/82/807523282.db2.gz JFLJZQVVKLSRHW-NXEZZACHSA-N -1 0 324.337 -0.305 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC(Cn2cnnc2)CC1)C(=O)[O-] ZINC001329119586 807524093 /nfs/dbraw/zinc/52/40/93/807524093.db2.gz BNVYNJVSVBVXIL-SNVBAGLBSA-N -1 0 323.353 -0.646 20 0 DBADRM CC(=O)N1CCC[C@H](CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC001329119920 807525255 /nfs/dbraw/zinc/52/52/55/807525255.db2.gz DRJPXFKWLDMKBI-MWLCHTKSSA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCCCCS(C)(=O)=O)C(=O)[O-] ZINC001329121551 807525336 /nfs/dbraw/zinc/52/53/36/807525336.db2.gz RPJWYKAQLFBPNS-SECBINFHSA-N -1 0 322.383 -0.846 20 0 DBADRM COC1(CO)CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC1 ZINC001329154899 807530202 /nfs/dbraw/zinc/53/02/02/807530202.db2.gz VLEOMACTFMMICF-SNVBAGLBSA-N -1 0 316.354 -0.835 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(C)(O)CC2)CC[C@@H]1C(=O)[O-] ZINC001329161771 807530954 /nfs/dbraw/zinc/53/09/54/807530954.db2.gz BNMXZSIEDPMDFV-MNOVXSKESA-N -1 0 312.366 -0.071 20 0 DBADRM Cn1c(=O)cccc1C(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907477214 807531361 /nfs/dbraw/zinc/53/13/61/807531361.db2.gz SQOFXJCFTNSDJJ-SECBINFHSA-N -1 0 306.351 -0.171 20 0 DBADRM COCCCOCC(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907480372 807531584 /nfs/dbraw/zinc/53/15/84/807531584.db2.gz TWXIHGMVTSKPSC-SECBINFHSA-N -1 0 301.372 -0.131 20 0 DBADRM CCN1C[C@H](C(=O)N2CCSC[C@H]2c2nnn[n-]2)CC1=O ZINC000907477076 807531776 /nfs/dbraw/zinc/53/17/76/807531776.db2.gz PNJOVVATHLCQEW-BDAKNGLRSA-N -1 0 310.383 -0.315 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907472490 807532038 /nfs/dbraw/zinc/53/20/38/807532038.db2.gz OEAQZHHWWIJGKU-NXEZZACHSA-N -1 0 310.383 -0.173 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)[N-]OCC(C)C)CC1 ZINC001329189642 807536585 /nfs/dbraw/zinc/53/65/85/807536585.db2.gz XXUXTTSFPNFYBG-UHFFFAOYSA-N -1 0 306.384 -0.226 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC1CCN(C(=O)OC)CC1 ZINC001329247577 807543277 /nfs/dbraw/zinc/54/32/77/807543277.db2.gz HVMQOXRTNHIQKI-UHFFFAOYSA-N -1 0 303.315 -0.972 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cn(CCOC)nn2)C1=O ZINC001329277059 807546449 /nfs/dbraw/zinc/54/64/49/807546449.db2.gz HEERIZZMQOMJHI-GFCCVEGCSA-N -1 0 310.314 -0.710 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])[C@H](C)C1 ZINC000907849258 807556482 /nfs/dbraw/zinc/55/64/82/807556482.db2.gz XPNCODQOPUAAEI-OPRDCNLKSA-N -1 0 304.368 -0.411 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1COCC[C@H]1OC ZINC000907841676 807556530 /nfs/dbraw/zinc/55/65/30/807556530.db2.gz KZFWGUAYYCMQPQ-MHIIWPAESA-N -1 0 300.402 -0.258 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)Nc2nc3n(n2)CCCC3)C1 ZINC001329427153 807563675 /nfs/dbraw/zinc/56/36/75/807563675.db2.gz KLYKOKGSLMEFAU-BDAKNGLRSA-N -1 0 321.337 -0.078 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001329640208 807596755 /nfs/dbraw/zinc/59/67/55/807596755.db2.gz TZFALRNCEXGDPY-QIPHIMSASA-N -1 0 322.321 -0.720 20 0 DBADRM CCO[N-]C(=O)CNc1ccc(S(=O)(=O)N(C)C)cn1 ZINC001329649327 807598858 /nfs/dbraw/zinc/59/88/58/807598858.db2.gz WVQIGGVJKPUDBP-UHFFFAOYSA-N -1 0 302.356 -0.189 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cnn(CC(F)F)c1 ZINC001329674392 807601968 /nfs/dbraw/zinc/60/19/68/807601968.db2.gz CTNKYVGULXDPER-UHFFFAOYSA-N -1 0 319.268 -0.729 20 0 DBADRM COCCOCCNC(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000908889309 807604107 /nfs/dbraw/zinc/60/41/07/807604107.db2.gz OQUKRGSCPJTISR-GWCFXTLKSA-N -1 0 304.343 -0.077 20 0 DBADRM COCCOCCNC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000908894971 807604400 /nfs/dbraw/zinc/60/44/00/807604400.db2.gz YQHLHWHJJHJUDW-WDEREUQCSA-N -1 0 304.343 -0.077 20 0 DBADRM COCCOCCNC(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000908889312 807604426 /nfs/dbraw/zinc/60/44/26/807604426.db2.gz OQUKRGSCPJTISR-MFKMUULPSA-N -1 0 304.343 -0.077 20 0 DBADRM Cn1nc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1OC(F)F ZINC000909058152 807607616 /nfs/dbraw/zinc/60/76/16/807607616.db2.gz ZSDSVOXURYBLGM-ZETCQYMHSA-N -1 0 305.237 -0.053 20 0 DBADRM COc1cc(COCC(=O)N2CCOC[C@@H]2C(=O)[O-])ccn1 ZINC000909060519 807607975 /nfs/dbraw/zinc/60/79/75/807607975.db2.gz XUQSBTATRZHISG-LLVKDONJSA-N -1 0 310.306 -0.081 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)N(CCOC)CC(=O)[O-])[C@H]1OC ZINC000909198652 807611681 /nfs/dbraw/zinc/61/16/81/807611681.db2.gz WIXQOUQNKLFXMM-HOSYDEDBSA-N -1 0 304.343 -0.079 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC000909309801 807613694 /nfs/dbraw/zinc/61/36/94/807613694.db2.gz OWJVRUVKTJJOPB-LLVKDONJSA-N -1 0 308.331 -0.563 20 0 DBADRM CC1(Cn2cc(C(=O)N3CC[C@@](F)(C(=O)[O-])C3)nn2)COC1 ZINC000909308464 807613791 /nfs/dbraw/zinc/61/37/91/807613791.db2.gz BIZHYPVITGATEV-ZDUSSCGKSA-N -1 0 312.301 -0.047 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)C[C@@]2(CCOC2)O1 ZINC000909729551 807616188 /nfs/dbraw/zinc/61/61/88/807616188.db2.gz OIYWZVPKJOXBGD-QMTHXVAHSA-N -1 0 309.322 -0.012 20 0 DBADRM C[C@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)C[C@]2(CCOC2)O1 ZINC000909729549 807616249 /nfs/dbraw/zinc/61/62/49/807616249.db2.gz OIYWZVPKJOXBGD-HZMBPMFUSA-N -1 0 309.322 -0.012 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@H]2CSCCS2)nn1 ZINC000909816241 807617749 /nfs/dbraw/zinc/61/77/49/807617749.db2.gz AJQOJXXTSHTEON-MRVPVSSYSA-N -1 0 302.381 -0.059 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccccc1OC ZINC001329785802 807619262 /nfs/dbraw/zinc/61/92/62/807619262.db2.gz KUNPKGQDEJYMDI-UHFFFAOYSA-N -1 0 309.322 -0.505 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC001329795807 807620773 /nfs/dbraw/zinc/62/07/73/807620773.db2.gz XYNYWLAIEZVZNG-NSHDSACASA-N -1 0 314.386 -0.982 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)CCC1 ZINC001329823331 807625036 /nfs/dbraw/zinc/62/50/36/807625036.db2.gz KCLIKYYKOWDAOZ-HNNXBMFYSA-N -1 0 310.350 -0.269 20 0 DBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)[N-]OCCSC)C1 ZINC001329851579 807630459 /nfs/dbraw/zinc/63/04/59/807630459.db2.gz ZPLSGUCBZNNWTQ-VIFPVBQESA-N -1 0 319.383 -0.256 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccc(OC)cc1 ZINC001329862432 807632999 /nfs/dbraw/zinc/63/29/99/807632999.db2.gz FCKORAZFLJDWGZ-UHFFFAOYSA-N -1 0 323.349 -0.163 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCc2ccccc2C1 ZINC001329863013 807633001 /nfs/dbraw/zinc/63/30/01/807633001.db2.gz JSGAQUDETFMZDT-UHFFFAOYSA-N -1 0 305.334 -0.245 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@H](C)c1ccccn1 ZINC001329863616 807633017 /nfs/dbraw/zinc/63/30/17/807633017.db2.gz QCTPKMUEOOFGMR-SNVBAGLBSA-N -1 0 308.338 -0.215 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)O[C@H](CC)C1 ZINC001329864093 807633766 /nfs/dbraw/zinc/63/37/66/807633766.db2.gz XUYFYWDBZIAZRT-NXEZZACHSA-N -1 0 301.343 -0.804 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@](C)(OC)CC1 ZINC001329869067 807634529 /nfs/dbraw/zinc/63/45/29/807634529.db2.gz XHTYPISNEMBXOS-CQSZACIVSA-N -1 0 315.370 -0.412 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000922900147 807640571 /nfs/dbraw/zinc/64/05/71/807640571.db2.gz MKYOEMBEZVUQJJ-NSHDSACASA-N -1 0 324.312 -0.092 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCN1Cc2ccccc2C1)C(=O)[O-] ZINC001329951195 807647247 /nfs/dbraw/zinc/64/72/47/807647247.db2.gz QTWWIJFSHJXIEV-NSHDSACASA-N -1 0 319.361 -0.045 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H](C)C(=O)NCC(F)(F)F ZINC001329962542 807649626 /nfs/dbraw/zinc/64/96/26/807649626.db2.gz FRUNVTGYQNHSHS-CDUCUWFYSA-N -1 0 300.233 -0.341 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H](CC)CN1CCOCC1 ZINC000923080285 807650012 /nfs/dbraw/zinc/65/00/12/807650012.db2.gz XUHWDVGYGRWREX-NSHDSACASA-N -1 0 302.375 -0.536 20 0 DBADRM NC(=O)c1ccc(CC(=O)NCCc2n[n-]c(=S)o2)cn1 ZINC001329978499 807652862 /nfs/dbraw/zinc/65/28/62/807652862.db2.gz JPKBEYXGSOVADY-UHFFFAOYSA-N -1 0 307.335 -0.246 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)nn1 ZINC001330007367 807658729 /nfs/dbraw/zinc/65/87/29/807658729.db2.gz GXVWGLGZPYVSDV-KOLCDFICSA-N -1 0 323.353 -0.517 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCc2nnn[n-]2)cn2ccnc12 ZINC001330357998 807702605 /nfs/dbraw/zinc/70/26/05/807702605.db2.gz XSGSOUFRGCYGEH-UHFFFAOYSA-N -1 0 300.282 -0.589 20 0 DBADRM O=C(c1nccn2ccnc12)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001330359349 807702965 /nfs/dbraw/zinc/70/29/65/807702965.db2.gz AFXLTUDSMFRKRO-MRVPVSSYSA-N -1 0 300.282 -0.544 20 0 DBADRM C[C@@H](CCC[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)Cc1cnn(C)c1 ZINC001330759244 807747105 /nfs/dbraw/zinc/74/71/05/807747105.db2.gz JBXBMGOURDCMRI-JTQLQIEISA-N -1 0 321.385 -0.139 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1ccnc(-n2cncn2)c1 ZINC001330808987 807751312 /nfs/dbraw/zinc/75/13/12/807751312.db2.gz NXRYEYZFJSUSIS-UHFFFAOYSA-N -1 0 314.309 -0.151 20 0 DBADRM CCn1cnc2c1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C2 ZINC000926276729 807757327 /nfs/dbraw/zinc/75/73/27/807757327.db2.gz KXLMLUJBSLHLHF-UHFFFAOYSA-N -1 0 308.338 -0.279 20 0 DBADRM C[C@@]1(O)CCCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC000926347768 807762406 /nfs/dbraw/zinc/76/24/06/807762406.db2.gz RUAPGVJQYSDYKW-HWWQOWPSSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001331081847 807768527 /nfs/dbraw/zinc/76/85/27/807768527.db2.gz XIMGVJDXSPMQPI-WYUUTHIRSA-N -1 0 310.350 -0.007 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(C)C[C@@H](C)O)C1 ZINC000926406463 807769499 /nfs/dbraw/zinc/76/94/99/807769499.db2.gz CCSGCMHUVSRSAW-QMTHXVAHSA-N -1 0 300.355 -0.071 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@H](CO)Cc1ccc(F)cc1 ZINC000927203687 807783783 /nfs/dbraw/zinc/78/37/83/807783783.db2.gz BHKAOCIYRQBLAN-LLVKDONJSA-N -1 0 313.329 -0.047 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000927204545 807783974 /nfs/dbraw/zinc/78/39/74/807783974.db2.gz BYSMXSHFOGNNKD-UHFFFAOYSA-N -1 0 314.386 -0.048 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000927211649 807784373 /nfs/dbraw/zinc/78/43/73/807784373.db2.gz PNKGGAXNRCQYGL-WDEREUQCSA-N -1 0 300.359 -0.974 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000927213078 807784593 /nfs/dbraw/zinc/78/45/93/807784593.db2.gz ZPIJHKSKTJHYGI-MRVPVSSYSA-N -1 0 300.340 -0.096 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000927213311 807784748 /nfs/dbraw/zinc/78/47/48/807784748.db2.gz ATMUVABQCFFLLC-GXFFZTMASA-N -1 0 301.343 -0.357 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000927211908 807784868 /nfs/dbraw/zinc/78/48/68/807784868.db2.gz PLMJYKHFUWZVHJ-LLVKDONJSA-N -1 0 312.370 -0.150 20 0 DBADRM CO[N-]C(=O)CNC(=O)N(CCN1CCOCC1)CC1CC1 ZINC000927216564 807785648 /nfs/dbraw/zinc/78/56/48/807785648.db2.gz RNDPRYFPBFCQIV-UHFFFAOYSA-N -1 0 314.386 -0.582 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000927215867 807785684 /nfs/dbraw/zinc/78/56/84/807785684.db2.gz RBVQFXPVWZPRHP-GHMZBOCLSA-N -1 0 300.359 -0.831 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000927216094 807785745 /nfs/dbraw/zinc/78/57/45/807785745.db2.gz NMPBVYJRLKCQPZ-NSHDSACASA-N -1 0 312.370 -0.390 20 0 DBADRM CO[N-]C(=O)CNC(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000927215073 807785891 /nfs/dbraw/zinc/78/58/91/807785891.db2.gz VLYAXACFSZFWDX-UHFFFAOYSA-N -1 0 302.375 -0.584 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000927218451 807786477 /nfs/dbraw/zinc/78/64/77/807786477.db2.gz CGQKHAIHTYYQDJ-SECBINFHSA-N -1 0 300.359 -0.247 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCCN(C(=O)CC(C)C)CC1 ZINC000927219990 807786688 /nfs/dbraw/zinc/78/66/88/807786688.db2.gz MRXCHDKLFDHMGY-UHFFFAOYSA-N -1 0 314.386 -0.046 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001331338578 807788791 /nfs/dbraw/zinc/78/87/91/807788791.db2.gz QDMMJVCXAZHQJD-UHFFFAOYSA-N -1 0 315.370 -0.269 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCN(CC(F)F)CC1)C(=O)[O-] ZINC000927962230 807800750 /nfs/dbraw/zinc/80/07/50/807800750.db2.gz YBLSQPQVEXJUHZ-SECBINFHSA-N -1 0 321.324 -0.377 20 0 DBADRM O=C([O-])c1ccc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)o1 ZINC001331665736 807812329 /nfs/dbraw/zinc/81/23/29/807812329.db2.gz MJPSIGAKUZMRGS-UHFFFAOYSA-N -1 0 321.333 -0.099 20 0 DBADRM COCCOCCN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001331729832 807822085 /nfs/dbraw/zinc/82/20/85/807822085.db2.gz IJGRIJBYZSWZDZ-AWEZNQCLSA-N -1 0 302.371 -0.489 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)NCCOC1CCOCC1 ZINC000929016811 807822614 /nfs/dbraw/zinc/82/26/14/807822614.db2.gz JHQZFNCQIYKLKF-NSHDSACASA-N -1 0 302.327 -0.323 20 0 DBADRM COC[C@H](NC(=O)N1CCOC[C@H]1C(=O)[O-])[C@@H]1CCCO1 ZINC000929048676 807822832 /nfs/dbraw/zinc/82/28/32/807822832.db2.gz GOWOPTCPCVDYFQ-DCAQKATOSA-N -1 0 302.327 -0.325 20 0 DBADRM O=C([O-])COCCNC(=O)C1CCN(c2cnccn2)CC1 ZINC001331819456 807837950 /nfs/dbraw/zinc/83/79/50/807837950.db2.gz RWUZFOHKWFHDCA-UHFFFAOYSA-N -1 0 308.338 -0.090 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C1 ZINC001331846313 807842842 /nfs/dbraw/zinc/84/28/42/807842842.db2.gz DNZCQNYTGQEYDR-KXNHARMFSA-N -1 0 312.366 -0.215 20 0 DBADRM O=C([O-])C1(NC(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC001331900832 807849555 /nfs/dbraw/zinc/84/95/55/807849555.db2.gz IHYJRQZAFTZQFU-UHFFFAOYSA-N -1 0 305.356 -0.672 20 0 DBADRM COC(=O)C[C@@H](C)N1CCN(C(=O)[C@@H](OC)C(=O)[O-])CC1 ZINC001331934213 807853016 /nfs/dbraw/zinc/85/30/16/807853016.db2.gz LGEOWCHSRCXTRM-MWLCHTKSSA-N -1 0 302.327 -0.818 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001331933400 807853293 /nfs/dbraw/zinc/85/32/93/807853293.db2.gz ATHIRIFDENHLTP-WOPDTQHZSA-N -1 0 300.355 -0.154 20 0 DBADRM CON(C)C(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001331930029 807853415 /nfs/dbraw/zinc/85/34/15/807853415.db2.gz TZJIVEPWPUUTIS-JTQLQIEISA-N -1 0 311.260 -0.324 20 0 DBADRM Cn1cc(NC(=O)C(=O)N(CCC(=O)[O-])C2CCOCC2)cn1 ZINC001332038831 807864348 /nfs/dbraw/zinc/86/43/48/807864348.db2.gz WTSUMHZGTFVZRM-UHFFFAOYSA-N -1 0 324.337 -0.159 20 0 DBADRM O=C([O-])CCCNC(=O)NCC1(OCCO)CCOCC1 ZINC001332142539 807878054 /nfs/dbraw/zinc/87/80/54/807878054.db2.gz WYZHPRIRLRNAJL-UHFFFAOYSA-N -1 0 304.343 -0.292 20 0 DBADRM C[C@@H]1[C@H](NC(=O)C2(C(N)=O)CC2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001332200201 807883182 /nfs/dbraw/zinc/88/31/82/807883182.db2.gz SIQZGLUUVIQGBE-RKDXNWHRSA-N -1 0 322.369 -0.755 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@]1(OC)CCSC1 ZINC000931862592 807939221 /nfs/dbraw/zinc/93/92/21/807939221.db2.gz PKKBZBJXYZPHPS-GFCCVEGCSA-N -1 0 306.384 -0.291 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1cn(C)nc1Br ZINC000931879798 807942641 /nfs/dbraw/zinc/94/26/41/807942641.db2.gz WJHNSZJKWBWDHD-UHFFFAOYSA-N -1 0 306.120 -0.018 20 0 DBADRM C[C@H](CN(C)C(=O)CCCCCS(N)(=O)=O)c1nnn[n-]1 ZINC001332611656 807949293 /nfs/dbraw/zinc/94/92/93/807949293.db2.gz CJSKVAZLNPMILM-SECBINFHSA-N -1 0 318.403 -0.390 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H](CC)CN1CCOCC1 ZINC000931943476 807950373 /nfs/dbraw/zinc/95/03/73/807950373.db2.gz YNGVAVBBQLVKDU-LBPRGKRZSA-N -1 0 317.386 -0.702 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@]1(C)CCCS1 ZINC001332789342 807978683 /nfs/dbraw/zinc/97/86/83/807978683.db2.gz JRFUSPLNUCENCZ-GFCCVEGCSA-N -1 0 303.384 -0.428 20 0 DBADRM CNC(=O)CC1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC001332945822 808000140 /nfs/dbraw/zinc/00/01/40/808000140.db2.gz QLDCIXNKOGBOFF-VIFPVBQESA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@@H](CNC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)C(=O)[O-] ZINC001332947082 808000163 /nfs/dbraw/zinc/00/01/63/808000163.db2.gz RUOALJWJNXFCSD-QMMMGPOBSA-N -1 0 312.326 -0.567 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](C)c1ccc(F)cc1 ZINC001333108951 808016134 /nfs/dbraw/zinc/01/61/34/808016134.db2.gz ZNHBCAXYQKUSSQ-SECBINFHSA-N -1 0 311.313 -0.161 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)C1(C(=O)[O-])CCC1 ZINC001333137489 808019329 /nfs/dbraw/zinc/01/93/29/808019329.db2.gz UGKGPPOBFPXWHR-NSHDSACASA-N -1 0 300.355 -0.607 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1cc(F)ccc1F ZINC001333158420 808022352 /nfs/dbraw/zinc/02/23/52/808022352.db2.gz SUUDOBBFLZSGJT-UHFFFAOYSA-N -1 0 315.276 -0.583 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@H](CO)OC[C@H]2C)cc1=O ZINC000934877629 808031279 /nfs/dbraw/zinc/03/12/79/808031279.db2.gz RTEGZXKPMKNZKX-DGCLKSJQSA-N -1 0 311.382 -0.017 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2ccc(OC)cc2C1 ZINC001333294552 808040526 /nfs/dbraw/zinc/04/05/26/808040526.db2.gz BGBFWRSLKVWLBT-UHFFFAOYSA-N -1 0 321.333 -0.626 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)NCCOCCF ZINC001333299248 808041450 /nfs/dbraw/zinc/04/14/50/808041450.db2.gz NJKGUGBSQPSZOP-UHFFFAOYSA-N -1 0 321.349 -0.599 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H]1C1CCOCC1 ZINC001333333830 808045776 /nfs/dbraw/zinc/04/57/76/808045776.db2.gz FYRQILFJMWNEAG-NSHDSACASA-N -1 0 313.354 -0.802 20 0 DBADRM C/C(=C/C(=O)NCCn1cnc(C(=O)[O-])c1)CN1CCOCC1 ZINC001333335742 808046146 /nfs/dbraw/zinc/04/61/46/808046146.db2.gz WLJCPVCJEQDWIE-WQLSENKSSA-N -1 0 322.365 -0.024 20 0 DBADRM C/C(=C/C(=O)N1CCO[C@](C)(C(=O)[O-])C1)CN1CCOCC1 ZINC001333350510 808047483 /nfs/dbraw/zinc/04/74/83/808047483.db2.gz NKNOYBAJQRZVGM-LMRWQKIVSA-N -1 0 312.366 -0.033 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@@H](C)O[C@H](CO)C2)cc1=O ZINC000935583522 808050800 /nfs/dbraw/zinc/05/08/00/808050800.db2.gz ZTXPSFFVWQUPER-YPMHNXCESA-N -1 0 311.382 -0.017 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@@H](C)O[C@@H](CO)C2)cc1=O ZINC000935583520 808051188 /nfs/dbraw/zinc/05/11/88/808051188.db2.gz ZTXPSFFVWQUPER-DGCLKSJQSA-N -1 0 311.382 -0.017 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CCO)C[C@H]1C1CC1 ZINC001333610418 808081002 /nfs/dbraw/zinc/08/10/02/808081002.db2.gz HLDKYTQFCVRNAW-RWMBFGLXSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C(CC1OCCCO1)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000938238270 808086430 /nfs/dbraw/zinc/08/64/30/808086430.db2.gz SRCCQSNXTAHGDK-VIFPVBQESA-N -1 0 309.326 -0.712 20 0 DBADRM COCCC(=O)N1CCC(NC(=O)[C@@](C)(OC)C(=O)[O-])CC1 ZINC001333658166 808086680 /nfs/dbraw/zinc/08/66/80/808086680.db2.gz IROZZHNPVVMBMI-CQSZACIVSA-N -1 0 316.354 -0.380 20 0 DBADRM Cn1ccc(=O)c(C(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)C2)c1 ZINC000938238385 808087255 /nfs/dbraw/zinc/08/72/55/808087255.db2.gz JZNPYMVJUVMAIU-VIFPVBQESA-N -1 0 316.321 -0.852 20 0 DBADRM O=C(CC[C@H]1CCOC1)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000938238113 808087357 /nfs/dbraw/zinc/08/73/57/808087357.db2.gz QVKSGBQPKUDYFA-QWRGUYRKSA-N -1 0 307.354 -0.048 20 0 DBADRM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)C2)nn1C ZINC000938238120 808087767 /nfs/dbraw/zinc/08/77/67/808087767.db2.gz RCHQDTDUDUCGFT-VIFPVBQESA-N -1 0 303.326 -0.509 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CO[C@H](C3CC3)C2)C1 ZINC001333845867 808103306 /nfs/dbraw/zinc/10/33/06/808103306.db2.gz WBOZLGUMRQPHPU-UTUOFQBUSA-N -1 0 310.350 -0.007 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cc(=O)n(C)cc1Br ZINC001333995193 808124339 /nfs/dbraw/zinc/12/43/39/808124339.db2.gz ACOOLTHUGPRJGS-UHFFFAOYSA-N -1 0 318.127 -0.445 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001333999306 808124702 /nfs/dbraw/zinc/12/47/02/808124702.db2.gz HZUKBGTZBKREKW-GHMZBOCLSA-N -1 0 309.297 -0.408 20 0 DBADRM O=C(c1cccc2nccn21)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001334137626 808136119 /nfs/dbraw/zinc/13/61/19/808136119.db2.gz NEJRUIQWZXJFAG-UHFFFAOYSA-N -1 0 313.321 -0.029 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CCC[C@H](C)O1 ZINC001334243663 808145963 /nfs/dbraw/zinc/14/59/63/808145963.db2.gz JPNPXVGXQKETQK-VHSXEESVSA-N -1 0 301.343 -0.756 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)CC[C@H]2CCCO2)C1=O ZINC001334341539 808154350 /nfs/dbraw/zinc/15/43/50/808154350.db2.gz BHADASCFOLKILJ-NXEZZACHSA-N -1 0 304.368 -0.520 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C2=COCCO2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947004382 808163482 /nfs/dbraw/zinc/16/34/82/808163482.db2.gz AQWQISHHHZAYCF-ZJUUUORDSA-N -1 0 323.353 -0.132 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cnc2n1CCC2 ZINC001038358960 815180590 /nfs/dbraw/zinc/18/05/90/815180590.db2.gz KQRHXFPKIAQHLH-SECBINFHSA-N -1 0 317.353 -0.343 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CC2(C[C@H]1C)CCOCC2 ZINC001334486102 808170262 /nfs/dbraw/zinc/17/02/62/808170262.db2.gz DKRVXCJDYVEPLO-SNVBAGLBSA-N -1 0 310.358 -0.254 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCSC(C)(C)C1 ZINC001334511909 808174085 /nfs/dbraw/zinc/17/40/85/808174085.db2.gz RPCGYLPGOKSDKP-MRVPVSSYSA-N -1 0 303.384 -0.429 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCCC[C@H](COC)C1 ZINC001334598478 808182543 /nfs/dbraw/zinc/18/25/43/808182543.db2.gz YRQSFKMGRLFQTR-NSHDSACASA-N -1 0 312.374 -0.006 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000947659004 808212564 /nfs/dbraw/zinc/21/25/64/808212564.db2.gz DNMCVLMMCJHKQO-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCN2CC=CC2)on1 ZINC001334957251 808216502 /nfs/dbraw/zinc/21/65/02/808216502.db2.gz MAXQFGIODXABLI-UHFFFAOYSA-N -1 0 301.324 -0.389 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC1(SC)CCCCC1 ZINC001335046610 808228033 /nfs/dbraw/zinc/22/80/33/808228033.db2.gz JUSSUUBADLQIIM-UHFFFAOYSA-N -1 0 317.411 -0.038 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCO[C@H](c2ccccc2)C1 ZINC001335049424 808229098 /nfs/dbraw/zinc/22/90/98/808229098.db2.gz VVWQCIFJWZNMLG-LBPRGKRZSA-N -1 0 318.337 -0.071 20 0 DBADRM COC1(OC)CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1O ZINC001335062716 808229417 /nfs/dbraw/zinc/22/94/17/808229417.db2.gz ASVLWZFDEBTVHL-LLVKDONJSA-N -1 0 308.338 -0.422 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2nnc[nH]2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947827954 808229672 /nfs/dbraw/zinc/22/96/72/808229672.db2.gz BUIHMGLSJLXWHU-HTQZYQBOSA-N -1 0 306.330 -0.589 20 0 DBADRM COC1(OC)CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O ZINC001335062718 808229917 /nfs/dbraw/zinc/22/99/17/808229917.db2.gz ASVLWZFDEBTVHL-NSHDSACASA-N -1 0 308.338 -0.422 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2cnon2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947831941 808230901 /nfs/dbraw/zinc/23/09/01/808230901.db2.gz CJNHMINHTATFQP-SFYZADRCSA-N -1 0 307.314 -0.324 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](OCC(C)C)C1 ZINC001335142794 808243162 /nfs/dbraw/zinc/24/31/62/808243162.db2.gz GIIRJALCODOMTD-JTQLQIEISA-N -1 0 301.343 -0.946 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC001335145322 808243901 /nfs/dbraw/zinc/24/39/01/808243901.db2.gz SSWPEGKLLDRSGN-ZDUSSCGKSA-N -1 0 319.361 -0.204 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCOCC2(CCCC2)C1 ZINC001335145633 808243970 /nfs/dbraw/zinc/24/39/70/808243970.db2.gz XVUKDWXPRYBCOB-UHFFFAOYSA-N -1 0 313.354 -0.801 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NCCCn2cncn2)CC1 ZINC001335154468 808245029 /nfs/dbraw/zinc/24/50/29/808245029.db2.gz BXCBGFGORTZKRO-UHFFFAOYSA-N -1 0 323.353 -0.502 20 0 DBADRM C/C=C(/C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000948242376 808271689 /nfs/dbraw/zinc/27/16/89/808271689.db2.gz PMTTWHWVHHDZFX-QNVIJMGISA-N -1 0 321.337 -0.174 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cn(C)nn2)CC[C@@H]1C(=O)[O-] ZINC001335382092 808284157 /nfs/dbraw/zinc/28/41/57/808284157.db2.gz ZQMRWDPIWSGLOK-KOLCDFICSA-N -1 0 323.353 -0.657 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1CC[C@@H]1CNC(=O)C1CC1 ZINC000948613750 808307170 /nfs/dbraw/zinc/30/71/70/808307170.db2.gz TYDXTGLCORNKSF-SECBINFHSA-N -1 0 321.337 -0.658 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]1CNC(=O)C1CCC1 ZINC000948621220 808308308 /nfs/dbraw/zinc/30/83/08/808308308.db2.gz ROOQLRNOAGZREU-VIFPVBQESA-N -1 0 309.326 -0.794 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCC[C@H](SC)C1 ZINC001335781847 808319706 /nfs/dbraw/zinc/31/97/06/808319706.db2.gz VFMZWXDEGNSBAY-BDAKNGLRSA-N -1 0 303.384 -0.429 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCOc2cccc(F)c2C1 ZINC001335863232 808327116 /nfs/dbraw/zinc/32/71/16/808327116.db2.gz DIWQUMGVYGFRRR-UHFFFAOYSA-N -1 0 322.300 -0.111 20 0 DBADRM Cc1conc1CN1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001038459712 815196499 /nfs/dbraw/zinc/19/64/99/815196499.db2.gz QOZLQVKABDYMSL-MRVPVSSYSA-N -1 0 320.309 -0.416 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)N1C[C@H](CO)[C@H](CO)C1 ZINC001336035865 808338303 /nfs/dbraw/zinc/33/83/03/808338303.db2.gz VETJDSNMGYGGRK-KNVOCYPGSA-N -1 0 321.449 -0.022 20 0 DBADRM Cc1ncc(CN2CC[C@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001038460155 815196749 /nfs/dbraw/zinc/19/67/49/815196749.db2.gz TVGPCUKEOVJICI-QMMMGPOBSA-N -1 0 320.309 -0.416 20 0 DBADRM CCN1CCC[C@@H](NC(=O)C(=O)[N-]OCCSC)C1=O ZINC001336250476 808357003 /nfs/dbraw/zinc/35/70/03/808357003.db2.gz PUAVKSYMAIDGAD-SECBINFHSA-N -1 0 303.384 -0.476 20 0 DBADRM CO[C@@H]1CCC[C@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948957328 808365767 /nfs/dbraw/zinc/36/57/67/808365767.db2.gz KABANKPQBADTAF-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM O=C([O-])CSCCC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001336393890 808370374 /nfs/dbraw/zinc/37/03/74/808370374.db2.gz PCHSKQKCQZJQBC-DTORHVGOSA-N -1 0 307.393 -0.303 20 0 DBADRM Cc1cnc(CN2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)o1 ZINC000949111308 808395437 /nfs/dbraw/zinc/39/54/37/808395437.db2.gz NREIHRZAWCVMOK-UHFFFAOYSA-N -1 0 320.309 -0.463 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949201853 808419771 /nfs/dbraw/zinc/41/97/71/808419771.db2.gz ZMFWJZUYUITUKW-SNVBAGLBSA-N -1 0 322.369 -0.787 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001038539757 815205992 /nfs/dbraw/zinc/20/59/92/815205992.db2.gz QQHNCTUEGGFDPG-ZTHPDXAWSA-N -1 0 319.365 -0.376 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2cn[nH]c2)c1[O-] ZINC000949427003 808458720 /nfs/dbraw/zinc/45/87/20/808458720.db2.gz TZMRZGJRHDOCMT-SECBINFHSA-N -1 0 304.310 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2cnccn2)c1[O-] ZINC000949424637 808458748 /nfs/dbraw/zinc/45/87/48/808458748.db2.gz BSBVCJOKPKSHEK-VIFPVBQESA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCCO2)c1[O-] ZINC000949426716 808458854 /nfs/dbraw/zinc/45/88/54/808458854.db2.gz QOOJLKCHRYGREI-ZJUUUORDSA-N -1 0 308.338 -0.067 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCCO2)c1[O-] ZINC000949426715 808458956 /nfs/dbraw/zinc/45/89/56/808458956.db2.gz QOOJLKCHRYGREI-VHSXEESVSA-N -1 0 308.338 -0.067 20 0 DBADRM Cn1ccnc1CCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949431518 808459732 /nfs/dbraw/zinc/45/97/32/808459732.db2.gz IIDAJZIJUGSSFL-UHFFFAOYSA-N -1 0 319.369 -0.479 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)Cc2nnc[nH]2)c1[O-] ZINC000949430747 808459897 /nfs/dbraw/zinc/45/98/97/808459897.db2.gz NWSRTQGAFHGPMN-QMMMGPOBSA-N -1 0 319.325 -0.885 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2ccnnc2)c1[O-] ZINC000949431176 808460060 /nfs/dbraw/zinc/46/00/60/808460060.db2.gz VGCJPRSCBWHVFY-JTQLQIEISA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2cnon2)c1[O-] ZINC000949433759 808460970 /nfs/dbraw/zinc/46/09/70/808460970.db2.gz BRVDRJPRKRVIJN-ZETCQYMHSA-N -1 0 306.282 -0.549 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@]23C[C@H]2COC3)c1[O-] ZINC000949436513 808461010 /nfs/dbraw/zinc/46/10/10/808461010.db2.gz XWRXMWRITDZPJZ-YHAQOWFVSA-N -1 0 320.349 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@]23C[C@H]2COC3)c1[O-] ZINC000949436512 808461428 /nfs/dbraw/zinc/46/14/28/808461428.db2.gz XWRXMWRITDZPJZ-WMFXKJRFSA-N -1 0 320.349 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2cnn(C)n2)c1[O-] ZINC000949435959 808461624 /nfs/dbraw/zinc/46/16/24/808461624.db2.gz UZIGSUAIMBMBOS-QMMMGPOBSA-N -1 0 319.325 -0.803 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000949456525 808464532 /nfs/dbraw/zinc/46/45/32/808464532.db2.gz MFNCZCZOSYQGLQ-IUCAKERBSA-N -1 0 323.353 -0.548 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000949456111 808464901 /nfs/dbraw/zinc/46/49/01/808464901.db2.gz IMNBBMGKSRJPRZ-HTQZYQBOSA-N -1 0 321.337 -0.340 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000949456526 808465138 /nfs/dbraw/zinc/46/51/38/808465138.db2.gz MFNCZCZOSYQGLQ-RKDXNWHRSA-N -1 0 323.353 -0.548 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCCO[C@@H](C(C)C)C1 ZINC001337645293 808481759 /nfs/dbraw/zinc/48/17/59/808481759.db2.gz IYNUGXZPMDBHHO-LLVKDONJSA-N -1 0 312.374 -0.008 20 0 DBADRM CO[C@@H]1Cc2ccc(NC(=O)C(=O)NCc3nnn[n-]3)cc2C1 ZINC001337661462 808484720 /nfs/dbraw/zinc/48/47/20/808484720.db2.gz LCNLFIANEPUXRV-LLVKDONJSA-N -1 0 316.321 -0.432 20 0 DBADRM CC(=O)N1CCC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000949585197 808490677 /nfs/dbraw/zinc/49/06/77/808490677.db2.gz UJZMWJYKCJGJRR-SNVBAGLBSA-N -1 0 303.322 -0.237 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCN(C(=O)C(F)F)C1 ZINC000949596628 808491697 /nfs/dbraw/zinc/49/16/97/808491697.db2.gz JBTNAUBJNUUGMP-ZCFIWIBFSA-N -1 0 319.268 -0.938 20 0 DBADRM CCN(C(=O)c1cnc(C)cn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949604969 808492941 /nfs/dbraw/zinc/49/29/41/808492941.db2.gz PVQBKIWYUIYIJV-UHFFFAOYSA-N -1 0 317.353 -0.045 20 0 DBADRM CN1C(=O)CC[C@@H]1CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949613295 808496887 /nfs/dbraw/zinc/49/68/87/808496887.db2.gz AXLDQBPNANFEAA-SNVBAGLBSA-N -1 0 322.369 -0.835 20 0 DBADRM Cc1cnn(-c2c(C(=O)NCc3nc(=O)o[n-]3)c(C)nn2C)c1 ZINC001338469119 808546259 /nfs/dbraw/zinc/54/62/59/808546259.db2.gz UTSZGYDURDXIAZ-UHFFFAOYSA-N -1 0 317.309 -0.171 20 0 DBADRM C/C=C(\C)C(=O)NC[C@@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001338471106 808547019 /nfs/dbraw/zinc/54/70/19/808547019.db2.gz OANXEPGXZRIBNT-VHODGJRUSA-N -1 0 310.354 -0.061 20 0 DBADRM CCN(C(=O)c1cc[nH]c(=O)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949877092 808558510 /nfs/dbraw/zinc/55/85/10/808558510.db2.gz HFRXVLBCYVJRQI-UHFFFAOYSA-N -1 0 318.337 -0.043 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCCN1CCOC1=O ZINC001338691955 808563699 /nfs/dbraw/zinc/56/36/99/808563699.db2.gz TYTADOGIFLVCFU-UHFFFAOYSA-N -1 0 320.309 -0.970 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC001338724081 808565200 /nfs/dbraw/zinc/56/52/00/808565200.db2.gz MDADKDUHVBWTCP-UHFFFAOYSA-N -1 0 307.306 -0.225 20 0 DBADRM Cc1c(C(=O)N2CCC[C@@H](NC(=O)c3cn[nH]n3)C2)cnn1C ZINC000950035750 808580534 /nfs/dbraw/zinc/58/05/34/808580534.db2.gz DGXOHRKJNBBVRY-SNVBAGLBSA-N -1 0 317.353 -0.119 20 0 DBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)[N-]N1CC(=O)NC1=O ZINC001339174826 808582060 /nfs/dbraw/zinc/58/20/60/808582060.db2.gz PGHDDGGWURWQDK-UHFFFAOYSA-N -1 0 303.282 -0.889 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCCCN1CCOCC1 ZINC001339694035 808599698 /nfs/dbraw/zinc/59/96/98/808599698.db2.gz JVJYYIAPCRRKBQ-UHFFFAOYSA-N -1 0 317.386 -0.159 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCCO[C@@H]1CCOC1)C2 ZINC001339804194 808604160 /nfs/dbraw/zinc/60/41/60/808604160.db2.gz RTHSJVKPIVRJJF-JTNHKYCSSA-N -1 0 314.338 -0.466 20 0 DBADRM C[C@@H]1CCOCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001339939260 808610756 /nfs/dbraw/zinc/61/07/56/808610756.db2.gz KRJMZLSQQXMERO-LLVKDONJSA-N -1 0 304.343 -0.075 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1cccc(Cl)c1F ZINC001340481788 808639731 /nfs/dbraw/zinc/63/97/31/808639731.db2.gz SYKAGFSMGBWYBD-UHFFFAOYSA-N -1 0 317.704 -0.111 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCCCC(=O)[O-])CC[N@H+](C)C1 ZINC001340552879 808643423 /nfs/dbraw/zinc/64/34/23/808643423.db2.gz GAXZHZJNSRJUAV-NSHDSACASA-N -1 0 315.370 -0.013 20 0 DBADRM NC(=O)c1coc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1 ZINC000950441870 808646966 /nfs/dbraw/zinc/64/69/66/808646966.db2.gz SVIIUNSULRXSQL-UHFFFAOYSA-N -1 0 320.309 -0.840 20 0 DBADRM CN(C)C(=O)CCCNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001341006843 808666193 /nfs/dbraw/zinc/66/61/93/808666193.db2.gz DBKHYWSGBYNLOB-UHFFFAOYSA-N -1 0 301.343 -0.802 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001341052897 808667839 /nfs/dbraw/zinc/66/78/39/808667839.db2.gz WWLWNHNXQSLEMY-VIFPVBQESA-N -1 0 321.341 -0.762 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC000950536773 808668854 /nfs/dbraw/zinc/66/88/54/808668854.db2.gz BPTUTSDTCLPXKC-ZJUUUORDSA-N -1 0 322.369 -0.944 20 0 DBADRM Cn1ncc2c1nc(C=Cc1cn(CC(=O)[O-])nn1)[nH]c2=O ZINC001341213048 808674154 /nfs/dbraw/zinc/67/41/54/808674154.db2.gz SHYPSPIARZNOHN-NSCUHMNNSA-N -1 0 301.266 -0.085 20 0 DBADRM Cc1ccn(CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000950570218 808675536 /nfs/dbraw/zinc/67/55/36/808675536.db2.gz FOAKJJROZAIUGP-UHFFFAOYSA-N -1 0 305.342 -0.640 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)CC2 ZINC001341736725 808696466 /nfs/dbraw/zinc/69/64/66/808696466.db2.gz NFIFVOUMWLBARQ-GHMZBOCLSA-N -1 0 323.353 -0.898 20 0 DBADRM O=C(Cc1nc2ncccn2n1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001341767468 808698591 /nfs/dbraw/zinc/69/85/91/808698591.db2.gz ZQUJIFRGMIIIRD-VIFPVBQESA-N -1 0 313.325 -0.414 20 0 DBADRM CC1(C)CC(=O)C(C(=O)N[C@H]2CCS(=O)(=O)C2)=C([O-])C1 ZINC001341997812 808709721 /nfs/dbraw/zinc/70/97/21/808709721.db2.gz VFKDUNHDZSCONR-QMMMGPOBSA-N -1 0 301.364 -0.136 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C[C@@H](C)OC)C1 ZINC000950766764 808710185 /nfs/dbraw/zinc/71/01/85/808710185.db2.gz WVYMBZDANCSJLW-MRVPVSSYSA-N -1 0 311.342 -0.536 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1Cc2ccccc2OC[C@H]1C ZINC001342030863 808712396 /nfs/dbraw/zinc/71/23/96/808712396.db2.gz WDBPYDVYCXPNHE-SNVBAGLBSA-N -1 0 321.333 -0.410 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1cc(C)ccc1F ZINC001342030273 808712509 /nfs/dbraw/zinc/71/25/09/808712509.db2.gz PTVWKPJNEHKUPI-UHFFFAOYSA-N -1 0 311.313 -0.114 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC001342212221 808720558 /nfs/dbraw/zinc/72/05/58/808720558.db2.gz KEHQYDCFMJJQSO-GXSJLCMTSA-N -1 0 308.338 -0.012 20 0 DBADRM Cc1cc(C[C@@H](C)NC(=O)C(=O)[N-]OC[C@H]2CCOC2)[nH]n1 ZINC001342233431 808721592 /nfs/dbraw/zinc/72/15/92/808721592.db2.gz YDDUZOHBEHSBDE-KOLCDFICSA-N -1 0 310.354 -0.150 20 0 DBADRM CCN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(C[C@H](C)OC)C1 ZINC000951119884 808769195 /nfs/dbraw/zinc/76/91/95/808769195.db2.gz HOGUWJGUIVSZKV-JTQLQIEISA-N -1 0 324.381 -0.333 20 0 DBADRM CCN(C(=O)c1cnc([O-])n(C)c1=O)C1CN([C@H](C)COC)C1 ZINC000951122288 808769226 /nfs/dbraw/zinc/76/92/26/808769226.db2.gz WHKXCYPUPOXNEL-SNVBAGLBSA-N -1 0 324.381 -0.333 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000951198627 808780120 /nfs/dbraw/zinc/78/01/20/808780120.db2.gz WPDIJSDYUGKLBM-GMSGAONNSA-N -1 0 309.326 -0.802 20 0 DBADRM CCN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000951201641 808780437 /nfs/dbraw/zinc/78/04/37/808780437.db2.gz VTEIXHNRXOMVNP-IAZYJMLFSA-N -1 0 307.354 -0.565 20 0 DBADRM Cc1cc(=O)[nH]cc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038695495 815235682 /nfs/dbraw/zinc/23/56/82/815235682.db2.gz QHDOHAZCAHBODI-SECBINFHSA-N -1 0 318.337 -0.076 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)c1ccc[nH]1)c1n[nH]c(=O)[n-]c1=O ZINC000951297416 808794604 /nfs/dbraw/zinc/79/46/04/808794604.db2.gz AIFMTMLHILZVCG-ZETCQYMHSA-N -1 0 318.293 -0.745 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)C1=CCCC1)c1n[nH]c(=O)[n-]c1=O ZINC000951298406 808794897 /nfs/dbraw/zinc/79/48/97/808794897.db2.gz XVGIICDESCXALJ-VIFPVBQESA-N -1 0 319.321 -0.276 20 0 DBADRM CC(F)(F)C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951295591 808794950 /nfs/dbraw/zinc/79/49/50/808794950.db2.gz CMGGLGDBUXXVDO-YFKPBYRVSA-N -1 0 317.252 -0.731 20 0 DBADRM O=C(CC1CCC1)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297772 808795007 /nfs/dbraw/zinc/79/50/07/808795007.db2.gz JQIUFGYVQMQMDY-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM Cc1nc(C)c(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)[nH]1 ZINC001038710780 815239273 /nfs/dbraw/zinc/23/92/73/815239273.db2.gz QLLYODARPAPSIY-SECBINFHSA-N -1 0 305.342 -0.145 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](NC(=O)C2CCC2)C1 ZINC000951512986 808835074 /nfs/dbraw/zinc/83/50/74/808835074.db2.gz NSUNGYYRPSNCSJ-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000951513668 808835416 /nfs/dbraw/zinc/83/54/16/808835416.db2.gz ZDRAQJCYUGZIID-GUBZILKMSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2cnon2)c1[O-] ZINC000951753614 808891692 /nfs/dbraw/zinc/89/16/92/808891692.db2.gz USTVKPGRQUWDLC-ZETCQYMHSA-N -1 0 306.282 -0.549 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)c3cnon3)C2)c1[O-] ZINC000951771322 808897094 /nfs/dbraw/zinc/89/70/94/808897094.db2.gz BPQVBFBPTHEUFK-MRVPVSSYSA-N -1 0 320.309 -0.159 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000952202996 808973057 /nfs/dbraw/zinc/97/30/57/808973057.db2.gz ZZUFHEYZDFRRHH-HRDYMLBCSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N1CC[C@]2(C1)CCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC000952816876 809005306 /nfs/dbraw/zinc/00/53/06/809005306.db2.gz CAWGTGYNPGAZQN-AWEZNQCLSA-N -1 0 321.337 -0.243 20 0 DBADRM CC(=O)N1CC[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000953247399 809026587 /nfs/dbraw/zinc/02/65/87/809026587.db2.gz WWMZQMUMGISEFM-BDAKNGLRSA-N -1 0 307.310 -0.634 20 0 DBADRM CCC(=O)N1CC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000953387056 809038262 /nfs/dbraw/zinc/03/82/62/809038262.db2.gz SCZBYJITNVEMPT-NXEZZACHSA-N -1 0 323.353 -0.451 20 0 DBADRM CCC(=O)N1CC[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000953399804 809038950 /nfs/dbraw/zinc/03/89/50/809038950.db2.gz BARRNJTWGPFAKM-DTWKUNHWSA-N -1 0 321.337 -0.244 20 0 DBADRM CCC(=O)N1CC[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000953399790 809039152 /nfs/dbraw/zinc/03/91/52/809039152.db2.gz BARRNJTWGPFAKM-BDAKNGLRSA-N -1 0 321.337 -0.244 20 0 DBADRM CN(C(=O)C(F)F)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000953468190 809049408 /nfs/dbraw/zinc/04/94/08/809049408.db2.gz WXLKTGZAFVAKJW-UHFFFAOYSA-N -1 0 316.264 -0.966 20 0 DBADRM CN(C(=O)C1CC1)C1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000953474492 809050493 /nfs/dbraw/zinc/05/04/93/809050493.db2.gz MFQLNUNTBJHEOG-UHFFFAOYSA-N -1 0 315.333 -0.285 20 0 DBADRM CN(C(=O)c1ccco1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000953552575 809055796 /nfs/dbraw/zinc/05/57/96/809055796.db2.gz MPABQKFLGZUGKX-UHFFFAOYSA-N -1 0 319.277 -0.528 20 0 DBADRM CC(=O)N[C@@H](C)[C@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000953633498 809059707 /nfs/dbraw/zinc/05/97/07/809059707.db2.gz GQXPTMVGUCINOE-IONNQARKSA-N -1 0 309.326 -0.198 20 0 DBADRM CC(=O)N[C@H](C)[C@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000953633499 809059839 /nfs/dbraw/zinc/05/98/39/809059839.db2.gz GQXPTMVGUCINOE-VXNVDRBHSA-N -1 0 309.326 -0.198 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)[C@@H]3CCOC3)C2)c1[O-] ZINC000954068218 809153445 /nfs/dbraw/zinc/15/34/45/809153445.db2.gz JAUUUAZNLJFVQE-SECBINFHSA-N -1 0 308.338 -0.257 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3cn[nH]c3)C2)c1[O-] ZINC000954068810 809154293 /nfs/dbraw/zinc/15/42/93/809154293.db2.gz SONHJUXUQRUBCM-UHFFFAOYSA-N -1 0 304.310 -0.257 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3csnn3)C2)c1[O-] ZINC000954069713 809154608 /nfs/dbraw/zinc/15/46/08/809154608.db2.gz BETHLRNTPLXWPK-UHFFFAOYSA-N -1 0 322.350 -0.128 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)Cn3cccn3)C2)c1[O-] ZINC000954068841 809154698 /nfs/dbraw/zinc/15/46/98/809154698.db2.gz TUUVSKDBZFHECL-UHFFFAOYSA-N -1 0 318.337 -0.397 20 0 DBADRM CN(C(=O)c1ncccc1O)C1CN(C(=O)c2cnon2)C1 ZINC000954125359 809167376 /nfs/dbraw/zinc/16/73/76/809167376.db2.gz LVOPSIKJUFSTJR-UHFFFAOYSA-N -1 0 303.278 -0.233 20 0 DBADRM Cn1cccc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)c1=O ZINC001038928043 815268472 /nfs/dbraw/zinc/26/84/72/815268472.db2.gz HTNCRANTLHYKGZ-SECBINFHSA-N -1 0 318.337 -0.787 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954876980 809304804 /nfs/dbraw/zinc/30/48/04/809304804.db2.gz IUXCUDFEDYOGJU-SFYZADRCSA-N -1 0 321.337 -0.388 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954876768 809304857 /nfs/dbraw/zinc/30/48/57/809304857.db2.gz GZHYYLNMMNFZSY-XPUUQOCRSA-N -1 0 307.310 -0.778 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)c2ccc[nH]2)C1 ZINC000954877050 809305155 /nfs/dbraw/zinc/30/51/55/809305155.db2.gz LJKYFKLOBCANLO-UHFFFAOYSA-N -1 0 318.293 -0.793 20 0 DBADRM CC1CC(C(=O)N2CC(N(C)C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000954877485 809305532 /nfs/dbraw/zinc/30/55/32/809305532.db2.gz VUYOPHKNRXLUPX-UHFFFAOYSA-N -1 0 321.337 -0.388 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)[C@H]2CC2(C)C)C1 ZINC000954877288 809305569 /nfs/dbraw/zinc/30/55/69/809305569.db2.gz RFXOAASMBBNKFT-MRVPVSSYSA-N -1 0 321.337 -0.388 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)[C@H]2CC2(C)C)C1 ZINC000954933978 809311507 /nfs/dbraw/zinc/31/15/07/809311507.db2.gz ORBNKNIMCUVYDS-SECBINFHSA-N -1 0 323.353 -0.595 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000955218487 809379901 /nfs/dbraw/zinc/37/99/01/809379901.db2.gz ZDARYPIODVMCDA-IUCAKERBSA-N -1 0 323.353 -0.595 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C1CC1 ZINC000955467671 809420805 /nfs/dbraw/zinc/42/08/05/809420805.db2.gz WXPKXFCBEXDITF-PSASIEDQSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C1CC1 ZINC000955467677 809420888 /nfs/dbraw/zinc/42/08/88/809420888.db2.gz WXPKXFCBEXDITF-WPRPVWTQSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C1CC1 ZINC000955467673 809421105 /nfs/dbraw/zinc/42/11/05/809421105.db2.gz WXPKXFCBEXDITF-SCZZXKLOSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC000955736080 809440240 /nfs/dbraw/zinc/44/02/40/809440240.db2.gz SHBRVSJQJKDUJT-WPRPVWTQSA-N -1 0 323.353 -0.269 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C2CC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000955752137 809440885 /nfs/dbraw/zinc/44/08/85/809440885.db2.gz AZANWNJEHHXIEY-VXNVDRBHSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C2CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000955763565 809442931 /nfs/dbraw/zinc/44/29/31/809442931.db2.gz VJJCJLXSJZZBLH-WPRPVWTQSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)[C@H](C)C1 ZINC000955769017 809443370 /nfs/dbraw/zinc/44/33/70/809443370.db2.gz LQIUEFPRROZREV-SCZZXKLOSA-N -1 0 308.338 -0.385 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)[C@H](C)C1 ZINC000955769015 809443416 /nfs/dbraw/zinc/44/34/16/809443416.db2.gz LQIUEFPRROZREV-PSASIEDQSA-N -1 0 308.338 -0.385 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@@H](C)C2)c1[O-] ZINC000955798493 809449047 /nfs/dbraw/zinc/44/90/47/809449047.db2.gz YHCDBFAZOIJGJE-POYBYMJQSA-N -1 0 309.326 -0.982 20 0 DBADRM O=C(CC1CC1)N1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000955851245 809456416 /nfs/dbraw/zinc/45/64/16/809456416.db2.gz XZNPKDXOQYPCFZ-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM CC(C)C(=O)N1CCC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000955897087 809462402 /nfs/dbraw/zinc/46/24/02/809462402.db2.gz FWXPJKHLDFEHOK-JTQLQIEISA-N -1 0 322.365 -0.137 20 0 DBADRM CC1(NC(=O)C2CC2)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000956259169 809506456 /nfs/dbraw/zinc/50/64/56/809506456.db2.gz KMMPUKPKELSAEN-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CCN(C(=O)[C@@H]1CCO[C@@H]1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000957043866 809579617 /nfs/dbraw/zinc/57/96/17/809579617.db2.gz IDKGWXZFNMZARG-MWLCHTKSSA-N -1 0 309.370 -0.032 20 0 DBADRM CCN(C(=O)[C@H]1C[C@]12CCOC2)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000957111065 809587970 /nfs/dbraw/zinc/58/79/70/809587970.db2.gz AWLHSCPGXUUXJL-ABAIWWIYSA-N -1 0 321.381 -0.030 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)CC1CC1 ZINC000957364246 809633511 /nfs/dbraw/zinc/63/35/11/809633511.db2.gz OPNVJPIHOIKIAM-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1nc[nH]c1CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957472525 809647977 /nfs/dbraw/zinc/64/79/77/809647977.db2.gz FEKSSKWYSASPCW-UHFFFAOYSA-N -1 0 305.342 -0.571 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cccnc1 ZINC000957811777 809680534 /nfs/dbraw/zinc/68/05/34/809680534.db2.gz KPSFFMYQOLQZSR-MNOVXSKESA-N -1 0 318.337 -0.872 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccccc1 ZINC000957826080 809684188 /nfs/dbraw/zinc/68/41/88/809684188.db2.gz NJLZPQPBOKKIFQ-NWDGAFQWSA-N -1 0 317.349 -0.267 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccco1 ZINC000957830513 809685180 /nfs/dbraw/zinc/68/51/80/809685180.db2.gz MJUCPTGIBGPXSE-BDAKNGLRSA-N -1 0 307.310 -0.674 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cccs1 ZINC000957839000 809688756 /nfs/dbraw/zinc/68/87/56/809688756.db2.gz VYQUOYRXLNDRBF-IUCAKERBSA-N -1 0 323.378 -0.206 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC=CC1 ZINC000957943433 809725432 /nfs/dbraw/zinc/72/54/32/809725432.db2.gz HMNGDDMHSNWIKK-WDEREUQCSA-N -1 0 307.354 -0.615 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)c1[O-] ZINC000957969092 809730938 /nfs/dbraw/zinc/73/09/38/809730938.db2.gz JFNWQQWBOJBBSY-YIZRAAEISA-N -1 0 321.337 -0.982 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3ccon3)C[C@H]2O)c1[O-] ZINC000957974880 809731481 /nfs/dbraw/zinc/73/14/81/809731481.db2.gz JTTAJNPVJFPZTQ-MWLCHTKSSA-N -1 0 321.337 -0.366 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3ccon3)C[C@@H]2O)c1[O-] ZINC000957974879 809731833 /nfs/dbraw/zinc/73/18/33/809731833.db2.gz JTTAJNPVJFPZTQ-KOLCDFICSA-N -1 0 321.337 -0.366 20 0 DBADRM Cc1nc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)co1 ZINC000958005745 809741605 /nfs/dbraw/zinc/74/16/05/809741605.db2.gz ODCAZGBIPGIOEH-WCBMZHEXSA-N -1 0 322.325 -0.971 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cc(F)c[nH]1 ZINC000958278488 809840337 /nfs/dbraw/zinc/84/03/37/809840337.db2.gz VFVRFRKPZMDCFB-OIBJUYFYSA-N -1 0 324.316 -0.800 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)[nH]n1 ZINC000958324665 809862578 /nfs/dbraw/zinc/86/25/78/809862578.db2.gz QDDZEORNHJHNGU-VROVMSAKSA-N -1 0 303.326 -0.598 20 0 DBADRM Cc1cocc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000958327078 809863215 /nfs/dbraw/zinc/86/32/15/809863215.db2.gz ZQOQBCUYLFUSNX-ONGXEEELSA-N -1 0 321.337 -0.366 20 0 DBADRM Cc1nc(C)c(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)o1 ZINC000958475500 809926259 /nfs/dbraw/zinc/92/62/59/809926259.db2.gz WXEPECWXGRNROA-JZYVYDRUSA-N -1 0 318.337 -0.025 20 0 DBADRM Cc1conc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958575349 809962918 /nfs/dbraw/zinc/96/29/18/809962918.db2.gz XDJXAZQUHMMTHV-DTWKUNHWSA-N -1 0 322.325 -0.971 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CN(C(=O)[C@H]3C[C@@H]3C)C[C@@H]2O)c1[O-] ZINC000958824693 810040852 /nfs/dbraw/zinc/04/08/52/810040852.db2.gz FWFLEQGSBCVWBG-ASXGKARISA-N -1 0 322.365 -0.277 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C3(C)CC3)C2)c1[O-] ZINC000958865006 810049897 /nfs/dbraw/zinc/04/98/97/810049897.db2.gz GDOCMTBILIHMGD-UWVGGRQHSA-N -1 0 322.365 -0.132 20 0 DBADRM CC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000958987550 810076150 /nfs/dbraw/zinc/07/61/50/810076150.db2.gz NFUJJXSPLVPYCB-WCBMZHEXSA-N -1 0 308.338 -0.527 20 0 DBADRM CCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000958988823 810076209 /nfs/dbraw/zinc/07/62/09/810076209.db2.gz VSVWXSHJTPLIAV-VHSXEESVSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(C)C(=O)N1CC[C@H]([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000959062570 810078140 /nfs/dbraw/zinc/07/81/40/810078140.db2.gz ILMGHLGVHPLUOR-BDAKNGLRSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H]2CCN(C(=O)CC(N)=O)C2)c1[O-] ZINC000959095648 810079933 /nfs/dbraw/zinc/07/99/33/810079933.db2.gz PHXDJVGPDSMSCY-IONNQARKSA-N -1 0 323.353 -0.734 20 0 DBADRM CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000959197094 810084153 /nfs/dbraw/zinc/08/41/53/810084153.db2.gz ARYYAHYVFAGJJK-PSASIEDQSA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@@H](NC(=O)C1CC1)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000959226409 810086125 /nfs/dbraw/zinc/08/61/25/810086125.db2.gz WFNCGQKSNCEFDZ-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM CCC(=O)N1C[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]2C1 ZINC000959767871 810120373 /nfs/dbraw/zinc/12/03/73/810120373.db2.gz ITRHYPZHTCQTCW-AOOOYVTPSA-N -1 0 320.349 -0.574 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 ZINC000960597077 810186060 /nfs/dbraw/zinc/18/60/60/810186060.db2.gz OHFVLJNNAAJGQQ-IUCAKERBSA-N -1 0 324.341 -0.959 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)c1cncn1C ZINC000960741169 810196690 /nfs/dbraw/zinc/19/66/90/810196690.db2.gz UHAYLBQACWPKPE-JTQLQIEISA-N -1 0 319.369 -0.020 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC000960967288 810215354 /nfs/dbraw/zinc/21/53/54/810215354.db2.gz XIYGNSWHPVWDLL-VIFPVBQESA-N -1 0 320.357 -0.706 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3ccco3)[C@@H](O)C2)c1[O-] ZINC000961218422 810249580 /nfs/dbraw/zinc/24/95/80/810249580.db2.gz YYVJAKIJJFPMTP-BDAKNGLRSA-N -1 0 320.305 -0.368 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000961799760 810376047 /nfs/dbraw/zinc/37/60/47/810376047.db2.gz VPHPOFJHIAZKCV-FBHFSLSBSA-N -1 0 307.354 -0.518 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ccnnc1 ZINC000961864745 810389683 /nfs/dbraw/zinc/38/96/83/810389683.db2.gz FIYKXLRHNNHIKB-JZYVYDRUSA-N -1 0 301.310 -0.840 20 0 DBADRM CC1(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCOCC1 ZINC000962046759 810432768 /nfs/dbraw/zinc/43/27/68/810432768.db2.gz YYJWVKILPMOHNE-IAZYJMLFSA-N -1 0 321.381 -0.127 20 0 DBADRM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCOC1 ZINC000962145402 810456681 /nfs/dbraw/zinc/45/66/81/810456681.db2.gz RHDVWBYGTDWFQB-OCYKMNHNSA-N -1 0 307.354 -0.517 20 0 DBADRM Cn1cncc1CC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000962293001 810499273 /nfs/dbraw/zinc/49/92/73/810499273.db2.gz LVDPFAUKHJNOED-IWIIMEHWSA-N -1 0 317.353 -0.967 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@@H]2O)c1[O-] ZINC000962302776 810502352 /nfs/dbraw/zinc/50/23/52/810502352.db2.gz JFPCEIZEWGXZCF-BDAKNGLRSA-N -1 0 321.293 -0.973 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC3(C)C)C[C@@H]2O)c1[O-] ZINC000962301671 810502383 /nfs/dbraw/zinc/50/23/83/810502383.db2.gz AUDJZXBTAJESLS-AEJSXWLSSA-N -1 0 322.365 -0.229 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@@H]2O)c1[O-] ZINC000962304926 810503042 /nfs/dbraw/zinc/50/30/42/810503042.db2.gz ZUCORXFQVDCQHS-APPZFPTMSA-N -1 0 321.293 -0.973 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC000962309274 810503327 /nfs/dbraw/zinc/50/33/27/810503327.db2.gz YLLHZMORBAPTOF-DBIOUOCHSA-N -1 0 322.365 -0.229 20 0 DBADRM CCn1cnc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)c1 ZINC000962310731 810504095 /nfs/dbraw/zinc/50/40/95/810504095.db2.gz IFTMGBIUHWRJKE-GDGBQDQQSA-N -1 0 317.353 -0.413 20 0 DBADRM CC[C@H](F)C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC000962318640 810506138 /nfs/dbraw/zinc/50/61/38/810506138.db2.gz KQDMVZQIRCMGRZ-YIZRAAEISA-N -1 0 314.317 -0.527 20 0 DBADRM CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000962520885 810544519 /nfs/dbraw/zinc/54/45/19/810544519.db2.gz SNYYCTZNEURPPZ-ZJUUUORDSA-N -1 0 323.353 -0.309 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)C(N)=O)c1[O-] ZINC000962907834 810595064 /nfs/dbraw/zinc/59/50/64/810595064.db2.gz CXNJCAXSKUCFEN-DTWKUNHWSA-N -1 0 321.337 -0.885 20 0 DBADRM CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000963429710 810627069 /nfs/dbraw/zinc/62/70/69/810627069.db2.gz OPSGYPDUUFQZCC-UWVGGRQHSA-N -1 0 309.326 -0.699 20 0 DBADRM CCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000963434217 810627368 /nfs/dbraw/zinc/62/73/68/810627368.db2.gz XWHLTGWTMLIIQY-VHSXEESVSA-N -1 0 323.353 -0.309 20 0 DBADRM CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1cnc([O-])n(C)c1=O ZINC000963446505 810628168 /nfs/dbraw/zinc/62/81/68/810628168.db2.gz XXXWPMAFKWMKPV-NEPJUHHUSA-N -1 0 320.349 -0.289 20 0 DBADRM CCC(=O)N1C[C@@H]2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000963790059 810661729 /nfs/dbraw/zinc/66/17/29/810661729.db2.gz MXVBNSLFLUKVNC-VHSXEESVSA-N -1 0 323.353 -0.451 20 0 DBADRM O=C(NC[C@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC000964538454 810783704 /nfs/dbraw/zinc/78/37/04/810783704.db2.gz RCTQHGXJJNSZTE-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM CCC(=O)N[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000964640890 810791778 /nfs/dbraw/zinc/79/17/78/810791778.db2.gz GZCPYDDCVRZJRI-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM COCC(=O)N1CCOC2(CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC000965268626 810852755 /nfs/dbraw/zinc/85/27/55/810852755.db2.gz AVUKZHQEKHBCEU-UHFFFAOYSA-N -1 0 324.337 -0.876 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000965373629 810871731 /nfs/dbraw/zinc/87/17/31/810871731.db2.gz QQXKANPNRPCRIC-PSASIEDQSA-N -1 0 305.342 -0.126 20 0 DBADRM CCC(=O)N1CC2(C1)C[C@@H](NC(=O)c1[nH]nc(C)c1[O-])CO2 ZINC000965670709 810935529 /nfs/dbraw/zinc/93/55/29/810935529.db2.gz BGDUVAWQPJCHCO-SECBINFHSA-N -1 0 308.338 -0.067 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2COC3(CN(C(=O)C4CC4)C3)C2)c1[O-] ZINC000965678247 810936509 /nfs/dbraw/zinc/93/65/09/810936509.db2.gz XPHDYBBVWCYLPL-SNVBAGLBSA-N -1 0 320.349 -0.067 20 0 DBADRM C[C@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000966027342 811006381 /nfs/dbraw/zinc/00/63/81/811006381.db2.gz GIIOYQMMWDBVLK-IONNQARKSA-N -1 0 309.326 -0.938 20 0 DBADRM CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000966034954 811007059 /nfs/dbraw/zinc/00/70/59/811007059.db2.gz ZPKFNODCKLZIKB-KCJUWKMLSA-N -1 0 303.322 -0.381 20 0 DBADRM CCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000966083074 811013451 /nfs/dbraw/zinc/01/34/51/811013451.db2.gz WEHIRSOSFHNTQS-GXSJLCMTSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(C)=CC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000966112135 811015465 /nfs/dbraw/zinc/01/54/65/811015465.db2.gz GOGXDAUMZDZADB-VHSXEESVSA-N -1 0 323.353 -0.381 20 0 DBADRM CC(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000966169192 811026766 /nfs/dbraw/zinc/02/67/66/811026766.db2.gz HFLBCFODDNGFNH-SFYZADRCSA-N -1 0 309.326 -0.485 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NC(=O)C1CCC1 ZINC000966641578 811112679 /nfs/dbraw/zinc/11/26/79/811112679.db2.gz LAYSWTHIGVUKQZ-CBAPKCEASA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NC(=O)CC1CC1 ZINC000966637569 811113314 /nfs/dbraw/zinc/11/33/14/811113314.db2.gz OPNVJPIHOIKIAM-APPZFPTMSA-N -1 0 321.337 -0.340 20 0 DBADRM CCC(=O)N[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC000966657657 811115315 /nfs/dbraw/zinc/11/53/15/811115315.db2.gz AFUZHUFKEXZUGF-SCZZXKLOSA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cncn1C ZINC000967269543 811235881 /nfs/dbraw/zinc/23/58/81/811235881.db2.gz WGJNCKNGNHALOX-NXEZZACHSA-N -1 0 319.369 -0.116 20 0 DBADRM CC(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC[C@@H]2C1 ZINC000967369162 811246246 /nfs/dbraw/zinc/24/62/46/811246246.db2.gz PQQHDLFJNIBOSX-PHIMTYICSA-N -1 0 323.353 -0.594 20 0 DBADRM CCN(C(=O)C1CC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000967713355 811285275 /nfs/dbraw/zinc/28/52/75/811285275.db2.gz LGBQIFZRRJDHDI-UHFFFAOYSA-N -1 0 307.310 -0.634 20 0 DBADRM CC1(C(=O)N2C[C@@H](NC(=O)c3cnc[nH]c3=O)[C@@H](O)C2)CCC1 ZINC000967736392 811287970 /nfs/dbraw/zinc/28/79/70/811287970.db2.gz ADJVQEIBIPLQRV-MNOVXSKESA-N -1 0 320.349 -0.326 20 0 DBADRM CCN(C(=O)[C@H]1C[C@@H]1C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000967754630 811290970 /nfs/dbraw/zinc/29/09/70/811290970.db2.gz IXWFFRMAGQKRNY-WPRPVWTQSA-N -1 0 323.353 -0.595 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C2CC2)C1 ZINC000968170483 811358317 /nfs/dbraw/zinc/35/83/17/811358317.db2.gz FIWKXHZJXHQMCR-UHFFFAOYSA-N -1 0 307.310 -0.634 20 0 DBADRM CCN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(C(=O)C2CC2)C1 ZINC000968209010 811363226 /nfs/dbraw/zinc/36/32/26/811363226.db2.gz CCHSIHJLMPDLSL-UHFFFAOYSA-N -1 0 320.349 -0.431 20 0 DBADRM CCN(C(=O)c1cnon1)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000968280434 811378750 /nfs/dbraw/zinc/37/87/50/811378750.db2.gz GOYOJBYCCCLTKB-UHFFFAOYSA-N -1 0 320.309 -0.207 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NCc3nncn3C)C2)c1[O-] ZINC000968429095 811404780 /nfs/dbraw/zinc/40/47/80/811404780.db2.gz IIPCDKBYHZDFJT-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NCc3ncnn3C)C2)c1[O-] ZINC000968432355 811405486 /nfs/dbraw/zinc/40/54/86/811405486.db2.gz HDZFNVBJUFJQST-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1nnc[nH]1 ZINC000968439772 811409370 /nfs/dbraw/zinc/40/93/70/811409370.db2.gz LVZJOOGSRIUHJB-SFYZADRCSA-N -1 0 306.330 -0.731 20 0 DBADRM Cn1[nH]c(CN[C@@H]2CCN(C(=O)C3=CCOCC3)C2)nc1=O ZINC000968487498 811426364 /nfs/dbraw/zinc/42/63/64/811426364.db2.gz JYCZPAQLKQBMPM-LLVKDONJSA-N -1 0 307.354 -0.854 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cc1nc[nH]n1 ZINC000968521000 811433974 /nfs/dbraw/zinc/43/39/74/811433974.db2.gz ORSOQSMARQJAAI-IUCAKERBSA-N -1 0 320.357 -0.802 20 0 DBADRM C[C@@H]1CCN(CCF)C[C@@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000968544931 811438855 /nfs/dbraw/zinc/43/88/55/811438855.db2.gz WZRFNWYZGVRYBN-KOLCDFICSA-N -1 0 322.344 -0.173 20 0 DBADRM C[C@@H]1CCN(CCF)C[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000968593488 811452747 /nfs/dbraw/zinc/45/27/47/811452747.db2.gz WBZOVSRSBHCXGV-BDAKNGLRSA-N -1 0 301.322 -0.515 20 0 DBADRM O=C(NC[C@@H]1CCCCCN1Cc1n[nH]c(=O)[n-]1)c1cn[nH]n1 ZINC000968931051 811516275 /nfs/dbraw/zinc/51/62/75/811516275.db2.gz FDDKYIOTTRSNLL-VIFPVBQESA-N -1 0 320.357 -0.197 20 0 DBADRM Cc1nnc(CN[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)[nH]1 ZINC000969034286 811536794 /nfs/dbraw/zinc/53/67/94/811536794.db2.gz ARRQFRVZEJNKQV-SECBINFHSA-N -1 0 303.326 -0.387 20 0 DBADRM C[C@@H](N[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1)c1nnnn1C ZINC000969034782 811537051 /nfs/dbraw/zinc/53/70/51/811537051.db2.gz JOBHHLGWRVNLBI-RKDXNWHRSA-N -1 0 318.341 -0.729 20 0 DBADRM Cn1ccnc1CN[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000969211556 811553244 /nfs/dbraw/zinc/55/32/44/811553244.db2.gz GBZGHEOSDVPNDX-MRVPVSSYSA-N -1 0 319.325 -0.979 20 0 DBADRM C[C@@H](NC(=O)c1cnccn1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000969229815 811554269 /nfs/dbraw/zinc/55/42/69/811554269.db2.gz BLNDLNGOAGUHLO-SECBINFHSA-N -1 0 317.353 -0.851 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000971510064 811570847 /nfs/dbraw/zinc/57/08/47/811570847.db2.gz AQLQQCBVSYOSEH-SNVBAGLBSA-N -1 0 309.370 -0.152 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC000971726587 811577773 /nfs/dbraw/zinc/57/77/73/811577773.db2.gz PKPOXWCLNBAQTI-MRVPVSSYSA-N -1 0 310.358 -0.946 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000987179101 811596678 /nfs/dbraw/zinc/59/66/78/811596678.db2.gz IGBONPACRJQYIY-KCJUWKMLSA-N -1 0 318.337 -0.803 20 0 DBADRM O=C(NC1CN(C(=O)c2ccccc2O)C1)[C@H]1CCC(=O)N1 ZINC000990484979 811660665 /nfs/dbraw/zinc/66/06/65/811660665.db2.gz AOQZJPWYDKZQQA-LLVKDONJSA-N -1 0 303.318 -0.389 20 0 DBADRM CCn1cc(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)cn1 ZINC000990532946 811688839 /nfs/dbraw/zinc/68/88/39/811688839.db2.gz JGGPJOOYVKBUGB-UHFFFAOYSA-N -1 0 318.337 -0.105 20 0 DBADRM O=C(C=C1CCC1)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000990774983 811759590 /nfs/dbraw/zinc/75/95/90/811759590.db2.gz OAOVDUPMTSNOMT-UHFFFAOYSA-N -1 0 305.294 -0.666 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)c1[O-] ZINC000990858582 811790478 /nfs/dbraw/zinc/79/04/78/811790478.db2.gz GILFBCSLRYVJIY-GFCCVEGCSA-N -1 0 321.381 -0.295 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)CCc3cn[nH]n3)C2)c1[O-] ZINC000990858246 811790945 /nfs/dbraw/zinc/79/09/45/811790945.db2.gz GRZONZHXGKKEKY-UHFFFAOYSA-N -1 0 319.325 -0.885 20 0 DBADRM CCn1ccc(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC000990860166 811791933 /nfs/dbraw/zinc/79/19/33/811791933.db2.gz MOQFAPGCHAKWIV-UHFFFAOYSA-N -1 0 318.337 -0.105 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3ccnnc3)C2)c1[O-] ZINC000990861240 811792033 /nfs/dbraw/zinc/79/20/33/811792033.db2.gz SUZMFZWOHSDARO-UHFFFAOYSA-N -1 0 302.294 -0.532 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3nccc(C)n3)C2)c1[O-] ZINC000990863599 811792539 /nfs/dbraw/zinc/79/25/39/811792539.db2.gz DRRDGVAJMBMHIU-UHFFFAOYSA-N -1 0 316.321 -0.223 20 0 DBADRM CCn1ncc(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC000990863165 811792547 /nfs/dbraw/zinc/79/25/47/811792547.db2.gz CVFYONQUZOFXLW-UHFFFAOYSA-N -1 0 319.325 -0.710 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3ncccn3)C2)c1[O-] ZINC000990864099 811792953 /nfs/dbraw/zinc/79/29/53/811792953.db2.gz TYSUYBVGRHAJHN-UHFFFAOYSA-N -1 0 302.294 -0.532 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)C[C@H]3COC(=O)C3)C2)c1[O-] ZINC000990864035 811793179 /nfs/dbraw/zinc/79/31/79/811793179.db2.gz IPDRGZWRIFRQEX-MRVPVSSYSA-N -1 0 322.321 -0.682 20 0 DBADRM CCO[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990866205 811793677 /nfs/dbraw/zinc/79/36/77/811793677.db2.gz VWXAOBZKEYUNTC-NXEZZACHSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3[nH]c(=O)[nH]c3C)C2)c1[O-] ZINC000990864689 811793901 /nfs/dbraw/zinc/79/39/01/811793901.db2.gz YAVFVCPWWDPJPX-UHFFFAOYSA-N -1 0 320.309 -0.585 20 0 DBADRM Cc1cc(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)[nH]n1 ZINC000990865580 811794141 /nfs/dbraw/zinc/79/41/41/811794141.db2.gz RALBXARSONBRLA-UHFFFAOYSA-N -1 0 304.310 -0.290 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)Cc3ncc[nH]3)C2)c1[O-] ZINC000990864895 811794202 /nfs/dbraw/zinc/79/42/02/811794202.db2.gz ZEPWVCHLXBXJFT-UHFFFAOYSA-N -1 0 304.310 -0.670 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@@H](C)n3cncn3)C2)c1[O-] ZINC000990914626 811806926 /nfs/dbraw/zinc/80/69/26/811806926.db2.gz HJCAXUIKBZTOJD-MRVPVSSYSA-N -1 0 319.325 -0.783 20 0 DBADRM O=C(Cc1ccoc1)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000990983754 811841018 /nfs/dbraw/zinc/84/10/18/811841018.db2.gz DHDFZPNJSQNJCP-UHFFFAOYSA-N -1 0 319.277 -0.941 20 0 DBADRM CCn1nccc1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000990998226 811845528 /nfs/dbraw/zinc/84/55/28/811845528.db2.gz IPNWNNMOLNFUJB-UHFFFAOYSA-N -1 0 318.337 -0.105 20 0 DBADRM CCC(=O)N[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@@H]1C ZINC001004277244 811969241 /nfs/dbraw/zinc/96/92/41/811969241.db2.gz PECYFGBWTKZGPT-IUCAKERBSA-N -1 0 311.342 -0.548 20 0 DBADRM CCC(=O)N[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@H]1C ZINC001004277242 811969545 /nfs/dbraw/zinc/96/95/45/811969545.db2.gz PECYFGBWTKZGPT-BDAKNGLRSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1nc[nH]c1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001004279538 811970567 /nfs/dbraw/zinc/97/05/67/811970567.db2.gz YYQYNSVVAKERBN-UHFFFAOYSA-N -1 0 305.342 -0.064 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC[C@H]1C ZINC001004290565 811971375 /nfs/dbraw/zinc/97/13/75/811971375.db2.gz HFMYYWQBHBYKLA-LDYMZIIASA-N -1 0 308.338 -0.527 20 0 DBADRM CC(=O)N[C@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC[C@@H]1C ZINC001004303162 811971450 /nfs/dbraw/zinc/97/14/50/811971450.db2.gz LXMTUXTVCNJYGN-KWQFWETISA-N -1 0 323.353 -0.412 20 0 DBADRM CC(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001004569251 811996882 /nfs/dbraw/zinc/99/68/82/811996882.db2.gz DXDZTFJAHXBBNF-HLTSFMKQSA-N -1 0 321.337 -0.200 20 0 DBADRM CC(C)C(=O)N1CC[C@H](C)[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001005089255 812027993 /nfs/dbraw/zinc/02/79/93/812027993.db2.gz SZEQZLGIYFLKSU-IUCAKERBSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(=O)N1CC[C@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001005117915 812030400 /nfs/dbraw/zinc/03/04/00/812030400.db2.gz SHFLFUHTEDFCSI-GZMMTYOYSA-N -1 0 308.338 -0.527 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CCN([C@@H]3CCNC3=O)CC2)c1[O-] ZINC001005263635 812054605 /nfs/dbraw/zinc/05/46/05/812054605.db2.gz UVNQMVZZIJQGHV-LLVKDONJSA-N -1 0 321.381 -0.151 20 0 DBADRM CN(C(=O)Cn1nccn1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005447125 812068591 /nfs/dbraw/zinc/06/85/91/812068591.db2.gz ZOBJUCYNWCNXEA-UHFFFAOYSA-N -1 0 320.357 -0.775 20 0 DBADRM CN(C(=O)c1cncn1C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005671298 812090941 /nfs/dbraw/zinc/09/09/41/812090941.db2.gz QTTNYETYEAOJEJ-UHFFFAOYSA-N -1 0 319.369 -0.020 20 0 DBADRM CN(C(=O)c1cnn(C)n1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001006133319 812163840 /nfs/dbraw/zinc/16/38/40/812163840.db2.gz QVHPHQBVXWYQDV-UHFFFAOYSA-N -1 0 320.357 -0.625 20 0 DBADRM CCC(=O)N1CC([C@H](C)NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001006551571 812216501 /nfs/dbraw/zinc/21/65/01/812216501.db2.gz DACHGPNMCVKWPZ-QMMMGPOBSA-N -1 0 308.338 -0.527 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001006857071 812252425 /nfs/dbraw/zinc/25/24/25/812252425.db2.gz OQWPKTPYDALYKN-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1cc(CC(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n[nH]1 ZINC001007065043 812265526 /nfs/dbraw/zinc/26/55/26/812265526.db2.gz PEVCDRPVTMIVHG-SNVBAGLBSA-N -1 0 319.369 -0.135 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCNC(=O)C1 ZINC001007109313 812267514 /nfs/dbraw/zinc/26/75/14/812267514.db2.gz XJKHHNZVFLTCDL-VHSXEESVSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(Cc3cnn(C)n3)C2)c1[O-] ZINC001007123375 812268716 /nfs/dbraw/zinc/26/87/16/812268716.db2.gz WCNBBKLRGBEQKL-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM CC[C@H](C(N)=O)N1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001007132184 812270097 /nfs/dbraw/zinc/27/00/97/812270097.db2.gz ZMXCLPYUWRARBO-NXEZZACHSA-N -1 0 309.370 -0.118 20 0 DBADRM O=C(Cc1cncnc1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007228631 812281425 /nfs/dbraw/zinc/28/14/25/812281425.db2.gz UCVRTKKGWYSOFG-NSHDSACASA-N -1 0 317.353 -0.376 20 0 DBADRM Cn1ccc(CC(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001007322195 812297499 /nfs/dbraw/zinc/29/74/99/812297499.db2.gz VNDWQANRBXKMAP-LLVKDONJSA-N -1 0 319.369 -0.433 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCC(=O)NC1 ZINC001007736792 812350581 /nfs/dbraw/zinc/35/05/81/812350581.db2.gz HSZYHVGBQXMGJU-ZJUUUORDSA-N -1 0 322.369 -0.883 20 0 DBADRM CCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1(C)C ZINC001007739622 812350927 /nfs/dbraw/zinc/35/09/27/812350927.db2.gz KQJLLSOUCHJVGA-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM CC1(C)CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NC(=O)C1CC1 ZINC001007768480 812355351 /nfs/dbraw/zinc/35/53/51/812355351.db2.gz DNTBSMXMTKIDSC-QMMMGPOBSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2cnon2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001007797606 812359237 /nfs/dbraw/zinc/35/92/37/812359237.db2.gz CBFDQCLOVVMWIG-ZETCQYMHSA-N -1 0 321.297 -0.940 20 0 DBADRM Cn1cncc1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007812502 812359996 /nfs/dbraw/zinc/35/99/96/812359996.db2.gz RFOOYINDISMEEB-VIFPVBQESA-N -1 0 305.342 -0.362 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008138914 812387007 /nfs/dbraw/zinc/38/70/07/812387007.db2.gz BPXDHYICGYOUES-QMMMGPOBSA-N -1 0 306.330 -0.669 20 0 DBADRM CCC(=O)N1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C(C)(C)C1 ZINC001008407478 812427048 /nfs/dbraw/zinc/42/70/48/812427048.db2.gz NLVLHLHKBUZECK-JTQLQIEISA-N -1 0 322.365 -0.137 20 0 DBADRM CO[C@H](C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3[nH]nc(C)c3[O-])[C@@H]2C1 ZINC001008960067 812493742 /nfs/dbraw/zinc/49/37/42/812493742.db2.gz MVJBBPABNSLGEL-DBIOUOCHSA-N -1 0 322.365 -0.107 20 0 DBADRM CC(=O)NC[C@]12CCC[C@H]1CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001009423458 812542949 /nfs/dbraw/zinc/54/29/49/812542949.db2.gz UNWFFVSVULMSMS-HZMBPMFUSA-N -1 0 323.353 -0.546 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001010044552 812612903 /nfs/dbraw/zinc/61/29/03/812612903.db2.gz CSEOPNVICKREAT-SFYZADRCSA-N -1 0 307.310 -0.777 20 0 DBADRM CC(=O)NC[C@H]1C[C@H](C)N(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001010206321 812636635 /nfs/dbraw/zinc/63/66/35/812636635.db2.gz BLASWWXSWYVZRK-WCBMZHEXSA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC001010285463 812652492 /nfs/dbraw/zinc/65/24/92/812652492.db2.gz JXVRQCDJVBJZDB-VHSXEESVSA-N -1 0 305.342 -0.342 20 0 DBADRM O=C(c1ccoc1)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001010339387 812665562 /nfs/dbraw/zinc/66/55/62/812665562.db2.gz DTOZKTCXCWEGCF-UHFFFAOYSA-N -1 0 319.277 -0.526 20 0 DBADRM CCn1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001010397060 812681959 /nfs/dbraw/zinc/68/19/59/812681959.db2.gz MTMQOEYIBPKPQE-JTQLQIEISA-N -1 0 305.342 -0.269 20 0 DBADRM CCC(=O)N1CC2(C1)CCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001010442887 812698232 /nfs/dbraw/zinc/69/82/32/812698232.db2.gz QKAMHLUQBYLNKA-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM CC(=O)N1CC2(C1)CCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001010453445 812700212 /nfs/dbraw/zinc/70/02/12/812700212.db2.gz PAKLTZXZVORUHC-UHFFFAOYSA-N -1 0 309.326 -0.840 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010567219 812719403 /nfs/dbraw/zinc/71/94/03/812719403.db2.gz NYTMUSTUOMMMPI-DTWKUNHWSA-N -1 0 309.326 -0.846 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN([C@H]3CCCNC3=O)C2)c1[O-] ZINC001010628682 812728700 /nfs/dbraw/zinc/72/87/00/812728700.db2.gz LDYFTKRIZVMIDE-UWVGGRQHSA-N -1 0 307.354 -0.494 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN([C@H]3CCCN(C)C3=O)C2)c1[O-] ZINC001010631862 812730015 /nfs/dbraw/zinc/73/00/15/812730015.db2.gz UYFMHTALGBPUEE-QWRGUYRKSA-N -1 0 321.381 -0.151 20 0 DBADRM C[C@@H](C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1)C1CC1 ZINC001010915574 812800698 /nfs/dbraw/zinc/80/06/98/812800698.db2.gz WXFUJMPBIZCVMB-MRVPVSSYSA-N -1 0 321.337 -0.387 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3cn(C)nn3)CC2)c1[O-] ZINC001011007758 812812020 /nfs/dbraw/zinc/81/20/20/812812020.db2.gz XLUHZVBCBQPDIX-UHFFFAOYSA-N -1 0 319.325 -0.850 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3n[nH]cc3F)CC2)c1[O-] ZINC001011008266 812812068 /nfs/dbraw/zinc/81/20/68/812812068.db2.gz MPOWADASCBQFII-UHFFFAOYSA-N -1 0 322.300 -0.116 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3ccnnc3)CC2)c1[O-] ZINC001011008273 812812255 /nfs/dbraw/zinc/81/22/55/812812255.db2.gz MSULPWXKRIFMBZ-UHFFFAOYSA-N -1 0 316.321 -0.188 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H]1C ZINC001011341485 812883181 /nfs/dbraw/zinc/88/31/81/812883181.db2.gz OEGKXZPUCIGLNA-WCBMZHEXSA-N -1 0 308.338 -0.385 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)CC1CC1 ZINC001011375054 812885960 /nfs/dbraw/zinc/88/59/60/812885960.db2.gz ROWQPEVELIKLCC-WCBMZHEXSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)CC1CC1 ZINC001011376026 812886100 /nfs/dbraw/zinc/88/61/00/812886100.db2.gz XNJMGMHLEXKIFF-IONNQARKSA-N -1 0 321.337 -0.198 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H]1C ZINC001011512028 812903499 /nfs/dbraw/zinc/90/34/99/812903499.db2.gz JZIUBFVOEJZEBX-MWLCHTKSSA-N -1 0 322.365 -0.139 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001011628094 812921438 /nfs/dbraw/zinc/92/14/38/812921438.db2.gz LLBCZWDHCVOJJR-DQRKKKBRSA-N -1 0 323.353 -0.239 20 0 DBADRM C[C@H]1[C@H](NC(=O)C(F)F)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001011932800 812972789 /nfs/dbraw/zinc/97/27/89/812972789.db2.gz XZAZBCQLTHFQDL-CRCLSJGQSA-N -1 0 317.252 -0.733 20 0 DBADRM C[C@@H]1[C@H](NC(=O)C2CCC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001011943245 812973728 /nfs/dbraw/zinc/97/37/28/812973728.db2.gz IXAONDXJJFKFCK-PSASIEDQSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@H]1[C@H](NC(=O)C2(C)CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001011943619 812973854 /nfs/dbraw/zinc/97/38/54/812973854.db2.gz PXJOATPDHCUHDH-DTWKUNHWSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001011944979 812973927 /nfs/dbraw/zinc/97/39/27/812973927.db2.gz POCYRBTYTHJRCD-RKDXNWHRSA-N -1 0 311.342 -0.549 20 0 DBADRM C[C@@H]1[C@H](NC(=O)C2CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001011946157 812974048 /nfs/dbraw/zinc/97/40/48/812974048.db2.gz ZAQHROKAMUESHS-VXNVDRBHSA-N -1 0 309.326 -0.795 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnon3)[C@H]2C)c1[O-] ZINC001011990314 812986715 /nfs/dbraw/zinc/98/67/15/812986715.db2.gz FKLKTQBDIXWHSY-JGVFFNPUSA-N -1 0 320.309 -0.160 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC001012119068 813014563 /nfs/dbraw/zinc/01/45/63/813014563.db2.gz RNWOPMGVDYXXTL-WCBMZHEXSA-N -1 0 318.337 -0.803 20 0 DBADRM C[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)C1CC1 ZINC001012129283 813015593 /nfs/dbraw/zinc/01/55/93/813015593.db2.gz RKXRRACDOZEGKO-CBAPKCEASA-N -1 0 309.326 -0.795 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CN1C(=O)C1CC1 ZINC001012140960 813016705 /nfs/dbraw/zinc/01/67/05/813016705.db2.gz GGFRHLXSRGEDFU-PSASIEDQSA-N -1 0 320.349 -0.385 20 0 DBADRM CCCC(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001012194157 813023188 /nfs/dbraw/zinc/02/31/88/813023188.db2.gz OTIUCLRPSIRMDT-SFYZADRCSA-N -1 0 309.326 -0.198 20 0 DBADRM C/C=C(\C)C(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001012449797 813057430 /nfs/dbraw/zinc/05/74/30/813057430.db2.gz MWNUOZWGKOVWQM-UFVYQPJESA-N -1 0 321.337 -0.032 20 0 DBADRM CC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001012616522 813079627 /nfs/dbraw/zinc/07/96/27/813079627.db2.gz KBAZYCXJWYHETL-WCBMZHEXSA-N -1 0 303.322 -0.238 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3cn[nH]n3)C2)c1[O-] ZINC001013139306 813108725 /nfs/dbraw/zinc/10/87/25/813108725.db2.gz CFXIPVRJUDIBSD-XPUUQOCRSA-N -1 0 319.325 -0.425 20 0 DBADRM CC(C)C(=O)N[C@H]1C[C@H](C)N(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001013412409 813138220 /nfs/dbraw/zinc/13/82/20/813138220.db2.gz LVGSDMYKRNGZFD-YUMQZZPRSA-N -1 0 309.326 -0.342 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)CC2CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013416185 813138784 /nfs/dbraw/zinc/13/87/84/813138784.db2.gz YZNWEWRJTPZUNI-IONNQARKSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@H]1C[C@H](NC(=O)CC2CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013490429 813141619 /nfs/dbraw/zinc/14/16/19/813141619.db2.gz ZYMYVJMIYVATSH-WPRPVWTQSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)CC2CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013490427 813141771 /nfs/dbraw/zinc/14/17/71/813141771.db2.gz ZYMYVJMIYVATSH-WCBMZHEXSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(=O)N1CC[C@]2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CCC[C@@H]12 ZINC001014360751 813222367 /nfs/dbraw/zinc/22/23/67/813222367.db2.gz PAHZGXHCLFSXRG-AMIZOPFISA-N -1 0 307.310 -0.444 20 0 DBADRM CCC(=O)N1CC[C@]2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CCC[C@H]12 ZINC001014362391 813222606 /nfs/dbraw/zinc/22/26/06/813222606.db2.gz RHXSTWRWLYOYTM-RMLUDKJBSA-N -1 0 321.337 -0.054 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)c1[O-] ZINC001014445988 813246966 /nfs/dbraw/zinc/24/69/66/813246966.db2.gz NQEQGMMFSMFXKK-CLAHSXSESA-N -1 0 321.337 -0.838 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnn1C ZINC001014458023 813249080 /nfs/dbraw/zinc/24/90/80/813249080.db2.gz HZQAEFSIHJYURQ-UWVGGRQHSA-N -1 0 319.369 -0.262 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001014512378 813257903 /nfs/dbraw/zinc/25/79/03/813257903.db2.gz DQZKGGLCYJWLLP-AXFHLTTASA-N -1 0 323.353 -0.548 20 0 DBADRM CCC(=O)N[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001014654537 813287954 /nfs/dbraw/zinc/28/79/54/813287954.db2.gz PWVZVLUEWCTJCM-BDAKNGLRSA-N -1 0 311.342 -0.405 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cn[nH]c(=O)c1 ZINC001014838311 813321372 /nfs/dbraw/zinc/32/13/72/813321372.db2.gz LIRWFLHNHAKXMU-QMMMGPOBSA-N -1 0 305.298 -0.990 20 0 DBADRM CCc1nn(C)cc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014843803 813322396 /nfs/dbraw/zinc/32/23/96/813322396.db2.gz ZFQBVXGIJNTYLT-VIFPVBQESA-N -1 0 319.369 -0.190 20 0 DBADRM C[C@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCCN1C(=O)C1CC1 ZINC001015101745 813369432 /nfs/dbraw/zinc/36/94/32/813369432.db2.gz PZRMPBLCLCXXRR-CBAPKCEASA-N -1 0 321.337 -0.198 20 0 DBADRM Cn1cc(CN2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)cn1 ZINC001015109393 813370064 /nfs/dbraw/zinc/37/00/64/813370064.db2.gz JBFJUVWVOBXSDZ-SECBINFHSA-N -1 0 319.325 -0.979 20 0 DBADRM Cc1nc(CN2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)co1 ZINC001015109733 813370306 /nfs/dbraw/zinc/37/03/06/813370306.db2.gz LYTSVJFOHAPQGT-MRVPVSSYSA-N -1 0 320.309 -0.416 20 0 DBADRM O=C(N[C@H]1CCN(Cc2nccs2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015109977 813370717 /nfs/dbraw/zinc/37/07/17/813370717.db2.gz ODEUZNRZYLFSRF-ZETCQYMHSA-N -1 0 322.350 -0.256 20 0 DBADRM C[C@@H]1[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCCN1C(=O)C1CC1 ZINC001015113934 813371732 /nfs/dbraw/zinc/37/17/32/813371732.db2.gz NVZWTSVGAOMYSJ-PSASIEDQSA-N -1 0 323.353 -0.405 20 0 DBADRM Cc1ncc(CN2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001015117944 813371919 /nfs/dbraw/zinc/37/19/19/813371919.db2.gz HLSXVVVZTLDRKS-QMMMGPOBSA-N -1 0 320.309 -0.416 20 0 DBADRM CCC(=O)N[C@H]1CC[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001015264415 813399968 /nfs/dbraw/zinc/39/99/68/813399968.db2.gz LPWUHKOPTXUPES-UWVGGRQHSA-N -1 0 322.365 -0.089 20 0 DBADRM NC(=O)c1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001015385927 813415687 /nfs/dbraw/zinc/41/56/87/813415687.db2.gz FPWOZLSGQDTQIN-MRVPVSSYSA-N -1 0 320.309 -0.794 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCNC(=O)CC1 ZINC001015405020 813420248 /nfs/dbraw/zinc/42/02/48/813420248.db2.gz UGZWJMDFFBFGQG-UWVGGRQHSA-N -1 0 322.369 -0.883 20 0 DBADRM COc1nc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001015412221 813420889 /nfs/dbraw/zinc/42/08/89/813420889.db2.gz JMPQPLXLOMVKSR-ZETCQYMHSA-N -1 0 308.298 -0.489 20 0 DBADRM Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015680609 813495407 /nfs/dbraw/zinc/49/54/07/813495407.db2.gz HEFFPPFOHZBIPN-VIFPVBQESA-N -1 0 318.337 -0.076 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001015716574 813510850 /nfs/dbraw/zinc/51/08/50/813510850.db2.gz YPHVLHFNLZZOJJ-KXUCPTDWSA-N -1 0 322.369 -0.898 20 0 DBADRM COCc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001015804250 813530409 /nfs/dbraw/zinc/53/04/09/813530409.db2.gz UOEWSFCSYAKBOG-QMMMGPOBSA-N -1 0 322.325 -0.351 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1CCN(CCF)C1 ZINC001015864695 813543454 /nfs/dbraw/zinc/54/34/54/813543454.db2.gz GKGFMZSCCZSVPA-VIFPVBQESA-N -1 0 308.317 -0.769 20 0 DBADRM CC(C)n1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001015913102 813560949 /nfs/dbraw/zinc/56/09/49/813560949.db2.gz LNOFQEJAVMDNOV-VIFPVBQESA-N -1 0 320.357 -0.313 20 0 DBADRM COc1cccc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001015931559 813567840 /nfs/dbraw/zinc/56/78/40/813567840.db2.gz FABNGZGNXKHBCJ-VIFPVBQESA-N -1 0 318.337 -0.082 20 0 DBADRM CC[C@H](F)CN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016110209 813600484 /nfs/dbraw/zinc/60/04/84/813600484.db2.gz JLVOYGHWMVXTDY-IUCAKERBSA-N -1 0 301.322 -0.372 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016142438 813608479 /nfs/dbraw/zinc/60/84/79/813608479.db2.gz UOKCITZZOPEWKZ-NXEZZACHSA-N -1 0 322.369 -0.788 20 0 DBADRM CN(C(=O)C1CCC1)C1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016155725 813609760 /nfs/dbraw/zinc/60/97/60/813609760.db2.gz HFWRIVCNNHTZIK-UHFFFAOYSA-N -1 0 323.353 -0.405 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016236475 813628139 /nfs/dbraw/zinc/62/81/39/813628139.db2.gz AHGFBJTWZNLGMC-SNVBAGLBSA-N -1 0 319.369 -0.217 20 0 DBADRM CCc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001016413007 813664772 /nfs/dbraw/zinc/66/47/72/813664772.db2.gz CAWFWZVYXRHZCL-VIFPVBQESA-N -1 0 319.369 -0.190 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn(C)c1 ZINC001016448469 813674049 /nfs/dbraw/zinc/67/40/49/813674049.db2.gz JGMJWRNNXRTHTH-MWLCHTKSSA-N -1 0 319.369 -0.262 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC2(CN(C(=O)C3CC3)C2)C1 ZINC001018660625 813954220 /nfs/dbraw/zinc/95/42/20/813954220.db2.gz DSIVITSONMPLSH-UHFFFAOYSA-N -1 0 319.321 -0.633 20 0 DBADRM Cc1nnc(CN[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C2)[nH]1 ZINC001018724499 813966688 /nfs/dbraw/zinc/96/66/88/813966688.db2.gz XGAVLZUREIYLAO-VIFPVBQESA-N -1 0 305.342 -0.145 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NCc3nncn3C)C2)c1[O-] ZINC001018721585 813967396 /nfs/dbraw/zinc/96/73/96/813967396.db2.gz IIPCDKBYHZDFJT-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NCc3cnn(C)n3)C2)c1[O-] ZINC001018721762 813967514 /nfs/dbraw/zinc/96/75/14/813967514.db2.gz LCRYUMAJLAKFRB-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1ccncc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001020044140 814277990 /nfs/dbraw/zinc/27/79/90/814277990.db2.gz XTYHECZTARICMD-XYPYZODXSA-N -1 0 316.365 -0.138 20 0 DBADRM Cc1nonc1CN[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001020353020 814361953 /nfs/dbraw/zinc/36/19/53/814361953.db2.gz LCOXOUVPFUHIOD-LJGSYFOKSA-N -1 0 321.297 -0.975 20 0 DBADRM CN(C(=O)[C@]12C[C@H]1COC2)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033093836 814412936 /nfs/dbraw/zinc/41/29/36/814412936.db2.gz PFNSVTZMIAIITQ-RBZYPMLTSA-N -1 0 307.354 -0.421 20 0 DBADRM CN(C(=O)C[C@@H]1CCNC1=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033138253 814423719 /nfs/dbraw/zinc/42/37/19/814423719.db2.gz FZNKDNFLOQOLRI-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1ncn(C)c1C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033174572 814435733 /nfs/dbraw/zinc/43/57/33/814435733.db2.gz OJYIPQNNBSTNON-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C(=O)[C@H]1CCC(=O)NC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033222352 814449833 /nfs/dbraw/zinc/44/98/33/814449833.db2.gz PTHAPBAZZBAMDX-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCN(Cc2ccon2)C1 ZINC001033230894 814451927 /nfs/dbraw/zinc/45/19/27/814451927.db2.gz WAZNAPCECDFTON-VIFPVBQESA-N -1 0 320.309 -0.383 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033431278 814508089 /nfs/dbraw/zinc/50/80/89/814508089.db2.gz HJCOMNXYPRTUDD-FOGDFJRCSA-N -1 0 309.370 -0.032 20 0 DBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H]1CCN(CCF)C1 ZINC001033509413 814526316 /nfs/dbraw/zinc/52/63/16/814526316.db2.gz IPLVQMISYXINAS-SNVBAGLBSA-N -1 0 322.344 -0.427 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCN(Cc2ccon2)C1 ZINC001033616881 814553096 /nfs/dbraw/zinc/55/30/96/814553096.db2.gz NISYLUOTUINGHK-JTQLQIEISA-N -1 0 322.325 -0.590 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCN(C/C=C\Cl)C1 ZINC001033617543 814553553 /nfs/dbraw/zinc/55/35/53/814553553.db2.gz VNJSCIPJDBXZQY-MDHMXLOGSA-N -1 0 315.761 -0.026 20 0 DBADRM CN(C(=O)c1ccc(=O)[nH]c1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033634838 814557168 /nfs/dbraw/zinc/55/71/68/814557168.db2.gz YZFHYKDILOIVFL-SNVBAGLBSA-N -1 0 318.337 -0.043 20 0 DBADRM CCN(C(=O)c1cn[nH]c1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033759013 814581769 /nfs/dbraw/zinc/58/17/69/814581769.db2.gz LNUDYHKFWRQTQF-JTQLQIEISA-N -1 0 305.342 -0.030 20 0 DBADRM CCN(C(=O)c1n[nH]nc1C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033924627 814610201 /nfs/dbraw/zinc/61/02/01/814610201.db2.gz ZGPAJKTYRRQPJZ-SECBINFHSA-N -1 0 320.357 -0.327 20 0 DBADRM CCN(C(=O)c1nonc1C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034055469 814631284 /nfs/dbraw/zinc/63/12/84/814631284.db2.gz WSZKPTKMFXJGEE-SECBINFHSA-N -1 0 321.341 -0.062 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2CCCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001034198303 814646080 /nfs/dbraw/zinc/64/60/80/814646080.db2.gz WPOCCGZOOWINAJ-VIFPVBQESA-N -1 0 320.357 -0.577 20 0 DBADRM Cn1ncc(C(=O)N[C@@H]2CCCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001034452989 814685373 /nfs/dbraw/zinc/68/53/73/814685373.db2.gz RMOWWCQTNSDDJR-SECBINFHSA-N -1 0 320.357 -0.577 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)no1 ZINC001035289893 814878302 /nfs/dbraw/zinc/87/83/02/814878302.db2.gz SMGKSZYRQFUPIB-SECBINFHSA-N -1 0 322.325 -0.562 20 0 DBADRM Cc1ncoc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035323103 814893163 /nfs/dbraw/zinc/89/31/63/814893163.db2.gz PVRSEYSNWBCKSU-VIFPVBQESA-N -1 0 322.325 -0.562 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001035329491 814895089 /nfs/dbraw/zinc/89/50/89/814895089.db2.gz GNCSSJIXAMOVKO-MEWQQHAOSA-N -1 0 321.381 -0.127 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035341289 814898425 /nfs/dbraw/zinc/89/84/25/814898425.db2.gz FNFTVDNRPGTJNJ-ZJUUUORDSA-N -1 0 309.370 -0.127 20 0 DBADRM CO[C@H](C)CN1CCO[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001035344857 814900147 /nfs/dbraw/zinc/90/01/47/814900147.db2.gz XXVOETKRTYKPFX-KOLCDFICSA-N -1 0 312.370 -0.111 20 0 DBADRM Cc1nc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)co1 ZINC001035349067 814901170 /nfs/dbraw/zinc/90/11/70/814901170.db2.gz HQUKUASOBLKUTB-VIFPVBQESA-N -1 0 322.325 -0.562 20 0 DBADRM CC[C@H](C)C(=O)NCC1(O)CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001041551425 815646229 /nfs/dbraw/zinc/64/62/29/815646229.db2.gz ZLVZBYNAFZQQEC-QMMMGPOBSA-N -1 0 310.354 -0.227 20 0 DBADRM C[C@@H]1CN(c2ncccn2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001042117864 815833878 /nfs/dbraw/zinc/83/38/78/815833878.db2.gz QBDMYVAAGVSDPG-RKDXNWHRSA-N -1 0 319.325 -0.880 20 0 DBADRM O=C(c1cn[nH]n1)N1CC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001042131948 815836567 /nfs/dbraw/zinc/83/65/67/815836567.db2.gz ZRVMMWIYUOBGGX-WPRPVWTQSA-N -1 0 318.341 -0.635 20 0 DBADRM CN(C(=O)C(F)F)C1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001042394046 815903698 /nfs/dbraw/zinc/90/36/98/815903698.db2.gz OEJZTCUNZHDCRM-UHFFFAOYSA-N -1 0 311.292 -0.070 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C3=CCCC3)C2)c1[O-] ZINC001042526432 815938937 /nfs/dbraw/zinc/93/89/37/815938937.db2.gz RAROQMCQGIPZJV-UHFFFAOYSA-N -1 0 320.349 -0.163 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)C3CC=CC3)C2)c1[O-] ZINC001042572892 815956198 /nfs/dbraw/zinc/95/61/98/815956198.db2.gz SBMOZGGCRCGFJO-UHFFFAOYSA-N -1 0 320.349 -0.307 20 0 DBADRM CN(C(=O)CC1OCCCO1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042653991 815981992 /nfs/dbraw/zinc/98/19/92/815981992.db2.gz MEIMYCUBLZRSHF-UHFFFAOYSA-N -1 0 311.342 -0.694 20 0 DBADRM C[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042661727 815984898 /nfs/dbraw/zinc/98/48/98/815984898.db2.gz KWHANPHPSCZEIG-ONGXEEELSA-N -1 0 309.370 -0.032 20 0 DBADRM CCOC1CC(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001042685642 815994647 /nfs/dbraw/zinc/99/46/47/815994647.db2.gz QLAABQUEIAMWCH-UHFFFAOYSA-N -1 0 309.370 -0.032 20 0 DBADRM Cc1nnccc1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043234245 816150538 /nfs/dbraw/zinc/15/05/38/816150538.db2.gz QKKHAMIJZLOVRA-UHFFFAOYSA-N -1 0 303.326 -0.435 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1Nc1ncccn1 ZINC001043277754 816155695 /nfs/dbraw/zinc/15/56/95/816155695.db2.gz YESOXLLDHHKUDN-RKDXNWHRSA-N -1 0 319.325 -0.562 20 0 DBADRM COc1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001043294909 816159042 /nfs/dbraw/zinc/15/90/42/816159042.db2.gz LJQLQVDYYOYEAC-UHFFFAOYSA-N -1 0 321.341 -0.791 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3ccc(C)nn3)C[C@@H]2O)c1[O-] ZINC001043892644 816307920 /nfs/dbraw/zinc/30/79/20/816307920.db2.gz CCCHOPGVXQQHTP-ZJUUUORDSA-N -1 0 318.337 -0.498 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3cc(F)ncn3)C[C@@H]2O)c1[O-] ZINC001043894348 816308572 /nfs/dbraw/zinc/30/85/72/816308572.db2.gz YEMZWGZZUZEART-SFYZADRCSA-N -1 0 322.300 -0.668 20 0 DBADRM CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043894889 816308719 /nfs/dbraw/zinc/30/87/19/816308719.db2.gz MCFIPMPIRCTUDW-BDAKNGLRSA-N -1 0 322.369 -0.946 20 0 DBADRM Cc1ccc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)c(=O)[nH]1 ZINC001043974641 816327443 /nfs/dbraw/zinc/32/74/43/816327443.db2.gz GPBNBOLZLBXAST-UHFFFAOYSA-N -1 0 318.337 -0.124 20 0 DBADRM COC[C@@H](C)N1CC(N(C)C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001044019845 816336582 /nfs/dbraw/zinc/33/65/82/816336582.db2.gz HSQUWFNOJSTYGY-SNVBAGLBSA-N -1 0 319.365 -0.186 20 0 DBADRM COCc1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001044017834 816336690 /nfs/dbraw/zinc/33/66/90/816336690.db2.gz CNSDVIJGMWDIHX-UHFFFAOYSA-N -1 0 322.325 -0.399 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)CCO1 ZINC001044097574 816355980 /nfs/dbraw/zinc/35/59/80/816355980.db2.gz KFPSZEONVZVRBF-ZJUUUORDSA-N -1 0 309.370 -0.032 20 0 DBADRM CN(C(=O)[C@@]1(C)CCCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044102090 816357105 /nfs/dbraw/zinc/35/71/05/816357105.db2.gz JPUAOKPBJKONDN-AWEZNQCLSA-N -1 0 309.370 -0.030 20 0 DBADRM COCc1nc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001044119103 816361923 /nfs/dbraw/zinc/36/19/23/816361923.db2.gz VSIHIEQPVAHBGX-UHFFFAOYSA-N -1 0 322.325 -0.399 20 0 DBADRM COCc1nocc1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044174298 816378354 /nfs/dbraw/zinc/37/83/54/816378354.db2.gz CQKPMMVNSCQVKF-UHFFFAOYSA-N -1 0 322.325 -0.399 20 0 DBADRM Cc1nc[nH]c1CC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044232695 816388834 /nfs/dbraw/zinc/38/88/34/816388834.db2.gz NWQKXRFZLPPRJZ-UHFFFAOYSA-N -1 0 305.342 -0.573 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(Cc2ccon2)C1 ZINC001044237165 816389217 /nfs/dbraw/zinc/38/92/17/816389217.db2.gz WWUUHEORVQWLAA-UHFFFAOYSA-N -1 0 308.298 -0.980 20 0 DBADRM CCc1nc[nH]c1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044242349 816391223 /nfs/dbraw/zinc/39/12/23/816391223.db2.gz GXAABSXVXYMPDY-UHFFFAOYSA-N -1 0 305.342 -0.248 20 0 DBADRM CN(C(=O)C[C@H]1CCCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044308850 816409733 /nfs/dbraw/zinc/40/97/33/816409733.db2.gz MZQHYWHMLNAVFO-SNVBAGLBSA-N -1 0 309.370 -0.030 20 0 DBADRM CCn1nc(C)c(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001044375667 816427956 /nfs/dbraw/zinc/42/79/56/816427956.db2.gz RVIQDYISPDESJO-UHFFFAOYSA-N -1 0 320.357 -0.613 20 0 DBADRM CC(C)C(=O)N1CCN([C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001046005458 816715748 /nfs/dbraw/zinc/71/57/48/816715748.db2.gz RLKRKGIDGHTSIC-GFCCVEGCSA-N -1 0 322.413 -0.115 20 0 DBADRM Cc1ncc(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001046194179 816776332 /nfs/dbraw/zinc/77/63/32/816776332.db2.gz CEBJDAMCPAEBOD-ZDUSSCGKSA-N -1 0 305.342 -0.064 20 0 DBADRM Cc1nn(C)cc1C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046201788 816778449 /nfs/dbraw/zinc/77/84/49/816778449.db2.gz DBBUJMUXMNPTBO-CQSZACIVSA-N -1 0 319.369 -0.053 20 0 DBADRM CNC(=O)[C@H](C)N1CC[C@@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001046239994 816791635 /nfs/dbraw/zinc/79/16/35/816791635.db2.gz OLEAVSLANZPJQO-LKFCYVNXSA-N -1 0 309.370 -0.248 20 0 DBADRM CNC(=O)[C@@H](C)N1CC[C@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001046239998 816791689 /nfs/dbraw/zinc/79/16/89/816791689.db2.gz OLEAVSLANZPJQO-OTYXRUKQSA-N -1 0 309.370 -0.248 20 0 DBADRM Cn1cnc(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001046241607 816791799 /nfs/dbraw/zinc/79/17/99/816791799.db2.gz LYHLJOPMXCDCNZ-CYBMUJFWSA-N -1 0 305.342 -0.362 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN([C@H]3CCNC3=O)C2)c1[O-] ZINC001046246673 816793235 /nfs/dbraw/zinc/79/32/35/816793235.db2.gz MQAGFUAYCOZLHI-XPTSAGLGSA-N -1 0 307.354 -0.494 20 0 DBADRM Cc1ncn(C)c1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046394173 816836321 /nfs/dbraw/zinc/83/63/21/816836321.db2.gz RWDFWIMYAWZRKB-AWEZNQCLSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@@]1(NC(=O)c2cnc[nH]c2=O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046410323 816842781 /nfs/dbraw/zinc/84/27/81/816842781.db2.gz YVFHRWCVUFZBCD-CYBMUJFWSA-N -1 0 319.325 -0.600 20 0 DBADRM Cn1c(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)c[nH]c1=O ZINC001046543832 816878445 /nfs/dbraw/zinc/87/84/45/816878445.db2.gz QZBINGZGEPMBBD-ZDUSSCGKSA-N -1 0 321.341 -0.656 20 0 DBADRM Cc1cc(C(=O)N(C)[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)no1 ZINC001047294706 817043105 /nfs/dbraw/zinc/04/31/05/817043105.db2.gz TZBXNPHJXHBBST-UWVGGRQHSA-N -1 0 322.325 -0.876 20 0 DBADRM CN(C(=O)[C@@H]1CC=CCC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047296726 817043676 /nfs/dbraw/zinc/04/36/76/817043676.db2.gz QWNJONSGVFIGSY-WOPDTQHZSA-N -1 0 321.381 -0.130 20 0 DBADRM Cc1cc(C(=O)N(C)[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)co1 ZINC001047361869 817086774 /nfs/dbraw/zinc/08/67/74/817086774.db2.gz ZHXIPPBOHIBWIB-QWRGUYRKSA-N -1 0 321.337 -0.271 20 0 DBADRM CN(C(=O)C1(C2CC2)CC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047421043 817123910 /nfs/dbraw/zinc/12/39/10/817123910.db2.gz VTMBAMYVLMYGPE-QWRGUYRKSA-N -1 0 321.381 -0.296 20 0 DBADRM CN(C(=O)C1(C)CC=CC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047515529 817180387 /nfs/dbraw/zinc/18/03/87/817180387.db2.gz MGLKSIMKMUTTHS-QWRGUYRKSA-N -1 0 321.381 -0.130 20 0 DBADRM CN(C(=O)c1nccs1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047576071 817209999 /nfs/dbraw/zinc/20/99/99/817209999.db2.gz RZRWDXMQLQOHPJ-YUMQZZPRSA-N -1 0 324.366 -0.716 20 0 DBADRM O=C(Cn1cccn1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048682547 817398466 /nfs/dbraw/zinc/39/84/66/817398466.db2.gz WNHZSRVAJUSHDM-PHIMTYICSA-N -1 0 317.353 -0.703 20 0 DBADRM CCO[C@H]1C[C@H]1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048699756 817404362 /nfs/dbraw/zinc/40/43/62/817404362.db2.gz WBLBTGYJLMUQMF-KXNHARMFSA-N -1 0 321.381 -0.175 20 0 DBADRM C[C@H]1CO[C@@H](C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)C1 ZINC001048945174 817488315 /nfs/dbraw/zinc/48/83/15/817488315.db2.gz KWFFXQVYDXFQQO-WISYIIOYSA-N -1 0 321.381 -0.175 20 0 DBADRM O=C(c1csnn1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048964503 817494184 /nfs/dbraw/zinc/49/41/84/817494184.db2.gz JJZWQCYIIKIKBL-OCAPTIKFSA-N -1 0 321.366 -0.434 20 0 DBADRM O=C(c1n[nH]cc1F)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001049039567 817515464 /nfs/dbraw/zinc/51/54/64/817515464.db2.gz XZUKQMVEVVVFRV-OCAPTIKFSA-N -1 0 321.316 -0.424 20 0 DBADRM O=C(c1cn[nH]n1)N1CCC[C@@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001049571346 817611160 /nfs/dbraw/zinc/61/11/60/817611160.db2.gz RURKSCCRGXSTBI-ZJUUUORDSA-N -1 0 318.341 -0.493 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]3CN([C@@H](C)C(N)=O)C[C@H]32)c1[O-] ZINC001050024734 817665821 /nfs/dbraw/zinc/66/58/21/817665821.db2.gz JADGKIGFGVOZEW-GARJFASQSA-N -1 0 321.381 -0.166 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ccncc1 ZINC001050789350 817758523 /nfs/dbraw/zinc/75/85/23/817758523.db2.gz HZOHHHWYEPATJR-NSHDSACASA-N -1 0 318.337 -0.464 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2COCCN2Cc2n[nH]c(=O)[n-]2)no1 ZINC001050803241 817760429 /nfs/dbraw/zinc/76/04/29/817760429.db2.gz VDYCHNGPXOTMLZ-VIFPVBQESA-N -1 0 322.325 -0.562 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1CCCO1 ZINC001050807709 817762413 /nfs/dbraw/zinc/76/24/13/817762413.db2.gz VPXVTNDBZFOJIZ-NXEZZACHSA-N -1 0 311.342 -0.994 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ccon1 ZINC001050831429 817768623 /nfs/dbraw/zinc/76/86/23/817768623.db2.gz VYJDZTNUTFAJTG-MRVPVSSYSA-N -1 0 308.298 -0.871 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1cncs1 ZINC001050835712 817770893 /nfs/dbraw/zinc/77/08/93/817770893.db2.gz IPFNCFNUWOERKT-QMMMGPOBSA-N -1 0 324.366 -0.402 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1cncs1 ZINC001050835711 817771026 /nfs/dbraw/zinc/77/10/26/817771026.db2.gz IPFNCFNUWOERKT-MRVPVSSYSA-N -1 0 324.366 -0.402 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2COCCN2C[C@H]2CCOC2)c1[O-] ZINC001050866628 817780671 /nfs/dbraw/zinc/78/06/71/817780671.db2.gz YWBPTDBZJRXJGQ-NEPJUHHUSA-N -1 0 324.381 -0.109 20 0 DBADRM Cc1[nH]ccc1C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001050867204 817780819 /nfs/dbraw/zinc/78/08/19/817780819.db2.gz FKDITTINXQYRJO-JTQLQIEISA-N -1 0 320.353 -0.222 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001050883333 817783616 /nfs/dbraw/zinc/78/36/16/817783616.db2.gz VODYORWETANSHK-ZJUUUORDSA-N -1 0 309.370 -0.127 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)C1=CCOCC1 ZINC001050887139 817784696 /nfs/dbraw/zinc/78/46/96/817784696.db2.gz BYTPJWDFNGNAHY-NSHDSACASA-N -1 0 323.353 -0.826 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1CC1(F)F ZINC001050910069 817791220 /nfs/dbraw/zinc/79/12/20/817791220.db2.gz BVZFRGRCCZZVJH-SFYZADRCSA-N -1 0 317.296 -0.518 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ccsn1 ZINC001050975716 817810112 /nfs/dbraw/zinc/81/01/12/817810112.db2.gz LMOAIUMFFXZSMB-QMMMGPOBSA-N -1 0 324.366 -0.402 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1cnco1 ZINC001051049543 817831204 /nfs/dbraw/zinc/83/12/04/817831204.db2.gz OFMUTHVABYUXQZ-MRVPVSSYSA-N -1 0 308.298 -0.871 20 0 DBADRM Cc1c[nH]c(C(=O)NC[C@@H]2COCCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001051154097 817857725 /nfs/dbraw/zinc/85/77/25/817857725.db2.gz CLJWEHHOKUIHTQ-SECBINFHSA-N -1 0 321.341 -0.827 20 0 DBADRM O=C(NC[C@@H]1COCCN1CCF)c1c[n-]n2c1nccc2=O ZINC001051153400 817858156 /nfs/dbraw/zinc/85/81/56/817858156.db2.gz OPNQEJHDADWENG-SNVBAGLBSA-N -1 0 323.328 -0.577 20 0 DBADRM CCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001051286520 817896795 /nfs/dbraw/zinc/89/67/95/817896795.db2.gz BLYXPXCEMLEUSR-JGVFFNPUSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(C)C(=O)N[C@H](C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001051289135 817897725 /nfs/dbraw/zinc/89/77/25/817897725.db2.gz RKFVBXIAZJKXMI-BDAKNGLRSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(C)C(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001051289137 817897803 /nfs/dbraw/zinc/89/78/03/817897803.db2.gz RKFVBXIAZJKXMI-IUCAKERBSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(C)N1CC2(C1)C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)CO2 ZINC001053993857 818064276 /nfs/dbraw/zinc/06/42/76/818064276.db2.gz VQWVRXHNNCSCBH-VIFPVBQESA-N -1 0 311.342 -0.943 20 0 DBADRM Cc1ccnc(N2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)n1 ZINC001056082997 818365921 /nfs/dbraw/zinc/36/59/21/818365921.db2.gz GATMUEJKAUIQIM-UHFFFAOYSA-N -1 0 317.309 -0.656 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(c2cc(F)ncn2)CC1 ZINC001056083010 818366028 /nfs/dbraw/zinc/36/60/28/818366028.db2.gz HAJYFQMJKUZHPB-UHFFFAOYSA-N -1 0 321.272 -0.826 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](Nc2cccc(F)n2)C1 ZINC001056681165 818434136 /nfs/dbraw/zinc/43/41/36/818434136.db2.gz YTILZFCCQOSGGG-MRVPVSSYSA-N -1 0 322.300 -0.064 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)C(C)(C)F)c1[O-] ZINC001056776106 818467222 /nfs/dbraw/zinc/46/72/22/818467222.db2.gz CYBNEVPWKKUAOZ-UHFFFAOYSA-N -1 0 316.333 -0.277 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](Nc2ncc(F)cn2)C1 ZINC001056823687 818492302 /nfs/dbraw/zinc/49/23/02/818492302.db2.gz SLUZJPUPBXTDOA-SSDOTTSWSA-N -1 0 321.272 -0.462 20 0 DBADRM CC(C)=CC(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057353588 818696492 /nfs/dbraw/zinc/69/64/92/818696492.db2.gz AEDPKPDDXGSTLV-UHFFFAOYSA-N -1 0 310.354 -0.059 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)c2cnco2)c1[O-] ZINC001057354181 818697474 /nfs/dbraw/zinc/69/74/74/818697474.db2.gz PGLRIMNCAHBPEH-UHFFFAOYSA-N -1 0 323.309 -0.724 20 0 DBADRM O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001058269698 818900554 /nfs/dbraw/zinc/90/05/54/818900554.db2.gz FWAFTXNIOWYFET-MRVPVSSYSA-N -1 0 317.309 -0.528 20 0 DBADRM Cc1cc(N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)ncn1 ZINC001058936495 819081288 /nfs/dbraw/zinc/08/12/88/819081288.db2.gz MNZNECCXQPKSAN-VIFPVBQESA-N -1 0 319.325 -0.499 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](Nc2cc(F)ncn2)C1 ZINC001059689796 819166861 /nfs/dbraw/zinc/16/68/61/819166861.db2.gz ZVUOEHWLWYMAHN-KNVOCYPGSA-N -1 0 323.288 -0.622 20 0 DBADRM CCC(=O)NCC[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001060053570 819192344 /nfs/dbraw/zinc/19/23/44/819192344.db2.gz MUFHKKWZHRNACL-SNVBAGLBSA-N -1 0 322.365 -0.136 20 0 DBADRM O=C(NC1(CNC(=O)C(F)F)CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001062374028 819474880 /nfs/dbraw/zinc/47/48/80/819474880.db2.gz TVVREBYFCPOOBR-UHFFFAOYSA-N -1 0 317.252 -0.683 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)CC(N)=O)CCC2)c1[O-] ZINC001062733324 819533837 /nfs/dbraw/zinc/53/38/37/819533837.db2.gz YXCRFRLJIOVCDS-UHFFFAOYSA-N -1 0 309.326 -0.932 20 0 DBADRM O=C(CC1CC1)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001063865275 819641475 /nfs/dbraw/zinc/64/14/75/819641475.db2.gz CNLSBADOISELAF-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCO[C@H](CNC(=O)C(F)F)C2)c1[O-] ZINC001065048131 819807875 /nfs/dbraw/zinc/80/78/75/819807875.db2.gz JRRGPBRFKVIGAY-SSDOTTSWSA-N -1 0 318.280 -0.354 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H](CNC(=O)C(F)F)C2)c1[O-] ZINC001065048132 819807977 /nfs/dbraw/zinc/80/79/77/819807977.db2.gz JRRGPBRFKVIGAY-ZETCQYMHSA-N -1 0 318.280 -0.354 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)CCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001066704750 820037095 /nfs/dbraw/zinc/03/70/95/820037095.db2.gz RAVLSMPWYWAYAM-RKDXNWHRSA-N -1 0 323.353 -0.141 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1Nc1ncccn1 ZINC001067227185 820079236 /nfs/dbraw/zinc/07/92/36/820079236.db2.gz HKWQNDYJFYRCTK-YUMQZZPRSA-N -1 0 317.309 -0.355 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCCN(C)C(=O)c2cn[nH]n2)c1[O-] ZINC001067200738 820079851 /nfs/dbraw/zinc/07/98/51/820079851.db2.gz KBJGJFPGBQVGMW-UHFFFAOYSA-N -1 0 321.341 -0.224 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(c3ncccn3)C[C@H]2O)c1[O-] ZINC001067667759 820115537 /nfs/dbraw/zinc/11/55/37/820115537.db2.gz PJEFLLRAIMPALZ-VHSXEESVSA-N -1 0 318.337 -0.559 20 0 DBADRM C[C@@H]1C[C@H](Nc2ncccn2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001069130563 820286338 /nfs/dbraw/zinc/28/63/38/820286338.db2.gz RDAHLDOOGBCUKJ-BDAKNGLRSA-N -1 0 319.325 -0.419 20 0 DBADRM C[C@@H]1C[C@@H](Nc2ncccn2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001069130570 820286378 /nfs/dbraw/zinc/28/63/78/820286378.db2.gz RDAHLDOOGBCUKJ-RKDXNWHRSA-N -1 0 319.325 -0.419 20 0 DBADRM C[C@@H]1C[C@@H](Nc2ncccn2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001069228532 820290207 /nfs/dbraw/zinc/29/02/07/820290207.db2.gz LARJUORNOPPWFJ-HTQZYQBOSA-N -1 0 317.309 -0.212 20 0 DBADRM CCC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070113508 820400387 /nfs/dbraw/zinc/40/03/87/820400387.db2.gz AHURKWQUFAVPJA-BDAKNGLRSA-N -1 0 306.330 -0.947 20 0 DBADRM CCCC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070122651 820403214 /nfs/dbraw/zinc/40/32/14/820403214.db2.gz FJFBUJLHOJNRSC-ZJUUUORDSA-N -1 0 320.357 -0.556 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](NC(=O)CC(N)=O)C2)c1[O-] ZINC001070620839 820512738 /nfs/dbraw/zinc/51/27/38/820512738.db2.gz XPFIMZMGJMERIF-MRVPVSSYSA-N -1 0 309.326 -0.980 20 0 DBADRM CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001071426216 820681336 /nfs/dbraw/zinc/68/13/36/820681336.db2.gz UNUIDDZMQPGZNA-XCBNKYQSSA-N -1 0 309.326 -0.802 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)c2ncn(C)n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071486721 820696059 /nfs/dbraw/zinc/69/60/59/820696059.db2.gz BJAXETGVJXPJMK-DTWKUNHWSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)c2cn[nH]n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071634537 820738833 /nfs/dbraw/zinc/73/88/33/820738833.db2.gz FEKDNEABMBENKL-SFYZADRCSA-N -1 0 306.330 -0.589 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001071734877 820763878 /nfs/dbraw/zinc/76/38/78/820763878.db2.gz CFEWJEXFCSSUOP-IONNQARKSA-N -1 0 320.357 -0.280 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)c2nnc[nH]2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071912089 820805360 /nfs/dbraw/zinc/80/53/60/820805360.db2.gz WFWRJYDBAGPXHA-SFYZADRCSA-N -1 0 306.330 -0.589 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001072362029 820908503 /nfs/dbraw/zinc/90/85/03/820908503.db2.gz KMEKJNDFSLDTKQ-PSASIEDQSA-N -1 0 311.342 -0.548 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001072454615 820923529 /nfs/dbraw/zinc/92/35/29/820923529.db2.gz ZOUBAWPQQBVPGH-JYUDYDOHSA-N -1 0 321.337 -0.174 20 0 DBADRM CC(C)=CC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001072453561 820923685 /nfs/dbraw/zinc/92/36/85/820923685.db2.gz LSKCDHGJDWKNIF-RKDXNWHRSA-N -1 0 321.337 -0.174 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001072454614 820923808 /nfs/dbraw/zinc/92/38/08/820923808.db2.gz ZOUBAWPQQBVPGH-AOZRHXBJSA-N -1 0 321.337 -0.174 20 0 DBADRM CC(C)=CC(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001072483233 820929507 /nfs/dbraw/zinc/92/95/07/820929507.db2.gz FOHAJFYZPNPLIU-VHSXEESVSA-N -1 0 323.353 -0.381 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC3(C2)CCN([C@H](C)C(N)=O)C3)c1[O-] ZINC001072625381 820969555 /nfs/dbraw/zinc/96/95/55/820969555.db2.gz INENCYOWCYSERR-SECBINFHSA-N -1 0 307.354 -0.555 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072699689 820991628 /nfs/dbraw/zinc/99/16/28/820991628.db2.gz FSYBFXVEIVKTKP-LLVKDONJSA-N -1 0 309.370 -0.439 20 0 DBADRM O=C(Cc1cnc[nH]1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001073018614 821071593 /nfs/dbraw/zinc/07/15/93/821071593.db2.gz GHHBARNVNILDIF-UHFFFAOYSA-N -1 0 317.353 -0.490 20 0 DBADRM C[C@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001073081169 821086316 /nfs/dbraw/zinc/08/63/16/821086316.db2.gz XHIADOBRDRXUEY-MNOVXSKESA-N -1 0 321.381 -0.030 20 0 DBADRM C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001073081171 821086418 /nfs/dbraw/zinc/08/64/18/821086418.db2.gz XHIADOBRDRXUEY-WDEREUQCSA-N -1 0 321.381 -0.030 20 0 DBADRM CCC(=O)NC1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001073177089 821105011 /nfs/dbraw/zinc/10/50/11/821105011.db2.gz HJEZDUUMGNELMC-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1ccon1 ZINC001073541690 821152340 /nfs/dbraw/zinc/15/23/40/821152340.db2.gz VYKJQRZYLSITQN-SECBINFHSA-N -1 0 322.325 -0.481 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCCN1C(=O)CC(N)=O ZINC001073976055 821277055 /nfs/dbraw/zinc/27/70/55/821277055.db2.gz MULHSKCYYJPFGI-SECBINFHSA-N -1 0 310.358 -0.801 20 0 DBADRM O=C(C(F)F)N1CC[C@@H]2OCCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001074137627 821292013 /nfs/dbraw/zinc/29/20/13/821292013.db2.gz UPDGVUZBRWLHQM-SFYZADRCSA-N -1 0 317.296 -0.423 20 0 DBADRM COCCN1CCO[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21 ZINC001074218772 821310423 /nfs/dbraw/zinc/31/04/23/821310423.db2.gz DXCXXEYOSVJKPI-NWDGAFQWSA-N -1 0 324.381 -0.015 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001075059034 821481638 /nfs/dbraw/zinc/48/16/38/821481638.db2.gz YHRFMQNSYTVKOH-WPRPVWTQSA-N -1 0 323.353 -0.269 20 0 DBADRM C[C@@H](CCNC(=O)CC1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001075315983 821504005 /nfs/dbraw/zinc/50/40/05/821504005.db2.gz FFIWLEMHOGSCQB-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM CC(=O)N1CCC[C@H](n2cc(CNCc3n[nH]c(=O)[n-]3)nn2)C1 ZINC001075372589 821512569 /nfs/dbraw/zinc/51/25/69/821512569.db2.gz FEGCNFGSZCBTSW-NSHDSACASA-N -1 0 320.357 -0.425 20 0 DBADRM CC(=O)N1C[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C2(C1)CCOCC2 ZINC001075424427 821516842 /nfs/dbraw/zinc/51/68/42/821516842.db2.gz NPVMYGZVZHYTSL-NSHDSACASA-N -1 0 309.370 -0.125 20 0 DBADRM CC(C)CC(=O)NCC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001075443924 821519162 /nfs/dbraw/zinc/51/91/62/821519162.db2.gz FBGRWDDXNDHXMQ-VIFPVBQESA-N -1 0 313.358 -0.254 20 0 DBADRM CC(C)=CC(=O)NCC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001075493983 821524626 /nfs/dbraw/zinc/52/46/26/821524626.db2.gz KBEQXAPVCOJBIB-VIFPVBQESA-N -1 0 311.342 -0.334 20 0 DBADRM C[C@@H](CCNC(=O)c1ccc[nH]1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001075591487 821553506 /nfs/dbraw/zinc/55/35/06/821553506.db2.gz FRVGOAIWCIPNCH-ZETCQYMHSA-N -1 0 320.309 -0.451 20 0 DBADRM Cc1nc(C(=O)N2CC[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)c[nH]1 ZINC001075622139 821559931 /nfs/dbraw/zinc/55/99/31/821559931.db2.gz HLIPNOXFEPJXKI-GXSJLCMTSA-N -1 0 317.353 -0.112 20 0 DBADRM CC[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001075665812 821567083 /nfs/dbraw/zinc/56/70/83/821567083.db2.gz NMHCYECWHMAHCN-YUMQZZPRSA-N -1 0 311.342 -0.047 20 0 DBADRM CC[C@H](C(N)=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001075691929 821571139 /nfs/dbraw/zinc/57/11/39/821571139.db2.gz BLRDZPNWUGIXDW-HBNTYKKESA-N -1 0 321.381 -0.166 20 0 DBADRM O=C(c1ncc[nH]1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075771931 821596370 /nfs/dbraw/zinc/59/63/70/821596370.db2.gz LZZXECRQKSHDIK-DTWKUNHWSA-N -1 0 303.326 -0.420 20 0 DBADRM C[C@@H](CCNC(=O)/C=C\C1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001076037493 821657903 /nfs/dbraw/zinc/65/79/03/821657903.db2.gz JFSNIUMWAZSWPZ-WBSSQXGSSA-N -1 0 323.353 -0.334 20 0 DBADRM C[C@@H](CCNC(=O)/C=C/C1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001076037492 821658336 /nfs/dbraw/zinc/65/83/36/821658336.db2.gz JFSNIUMWAZSWPZ-MOVJSRMASA-N -1 0 323.353 -0.334 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC001076166363 821676740 /nfs/dbraw/zinc/67/67/40/821676740.db2.gz HYUIDMZEAFNSAI-CBAPKCEASA-N -1 0 323.353 -0.673 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H](C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001076166289 821676855 /nfs/dbraw/zinc/67/68/55/821676855.db2.gz FUOUDTKFPSFCMQ-LURJTMIESA-N -1 0 321.341 -0.211 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001076165465 821676947 /nfs/dbraw/zinc/67/69/47/821676947.db2.gz CNMOLAIRHRWMLZ-ZETCQYMHSA-N -1 0 311.342 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)c2cn(C)nn2)c1[O-] ZINC001076166034 821677026 /nfs/dbraw/zinc/67/70/26/821677026.db2.gz YBVOYOJFRQMNCH-ZETCQYMHSA-N -1 0 321.341 -0.509 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)c2ncn(C)n2)c1[O-] ZINC001076165891 821677050 /nfs/dbraw/zinc/67/70/50/821677050.db2.gz SBUCCGXVNAGBIE-ZETCQYMHSA-N -1 0 321.341 -0.509 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)c2cnon2)c1[O-] ZINC001076166460 821678126 /nfs/dbraw/zinc/67/81/26/821678126.db2.gz LNEDHWLRDCUASQ-LURJTMIESA-N -1 0 308.298 -0.255 20 0 DBADRM O=C(c1cccnn1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076386277 821741186 /nfs/dbraw/zinc/74/11/86/821741186.db2.gz KVMAPTRQRZSTMS-GXSJLCMTSA-N -1 0 315.337 -0.353 20 0 DBADRM Cc1ccncc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076832834 821884113 /nfs/dbraw/zinc/88/41/13/821884113.db2.gz AKSJIGJVEBYYEV-GHMZBOCLSA-N -1 0 318.337 -0.811 20 0 DBADRM C[C@@H](CCNC(=O)C1(C)CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001076863204 821894347 /nfs/dbraw/zinc/89/43/47/821894347.db2.gz XOYQMOZRWFQCPP-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccon3)C[C@H]2O)c1[O-] ZINC001076882819 821902281 /nfs/dbraw/zinc/90/22/81/821902281.db2.gz NCNQBTHRTIQFCN-NXEZZACHSA-N -1 0 307.310 -0.613 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccccn3)C[C@H]2O)c1[O-] ZINC001076890079 821907305 /nfs/dbraw/zinc/90/73/05/821907305.db2.gz IUPHEGKFHQXRCJ-VXGBXAGGSA-N -1 0 317.349 -0.206 20 0 DBADRM Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)no1 ZINC001076890448 821908041 /nfs/dbraw/zinc/90/80/41/821908041.db2.gz ZYPLJCVFPHAYEM-GHMZBOCLSA-N -1 0 321.337 -0.305 20 0 DBADRM CC[C@@H](F)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001076890206 821908053 /nfs/dbraw/zinc/90/80/53/821908053.db2.gz PBTMHMIODWALIY-OPRDCNLKSA-N -1 0 300.334 -0.053 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)n1cccc1 ZINC001076894519 821910670 /nfs/dbraw/zinc/91/06/70/821910670.db2.gz HOAGEVPZRDXJMV-GMTAPVOTSA-N -1 0 320.353 -0.766 20 0 DBADRM O=C(Cc1ccoc1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076920672 821923607 /nfs/dbraw/zinc/92/36/07/821923607.db2.gz STCIJFUDFLVFQU-NXEZZACHSA-N -1 0 307.310 -0.993 20 0 DBADRM CC(C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)=C1CCC1 ZINC001076978209 821954972 /nfs/dbraw/zinc/95/49/72/821954972.db2.gz FXIYGRJYPRORSG-GHMZBOCLSA-N -1 0 307.354 -0.328 20 0 DBADRM O=C(C[C@H]1C=CCCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077216714 822034533 /nfs/dbraw/zinc/03/45/33/822034533.db2.gz MVNCKNMICVYCQF-QJPTWQEYSA-N -1 0 321.381 -0.082 20 0 DBADRM C[C@@]1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)C=CCC1 ZINC001077528702 822140374 /nfs/dbraw/zinc/14/03/74/822140374.db2.gz ALOPWFKCIXDOTH-GPCCPHFNSA-N -1 0 307.354 -0.472 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(F)F ZINC001077577993 822159272 /nfs/dbraw/zinc/15/92/72/822159272.db2.gz HYNBMRXKMSEFIT-BYPYZUCNSA-N -1 0 305.241 -0.828 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077680132 822186784 /nfs/dbraw/zinc/18/67/84/822186784.db2.gz SGESNMZRXWCPIM-SGDMMICCSA-N -1 0 311.342 -0.334 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c(C)[nH]1 ZINC001077749615 822215262 /nfs/dbraw/zinc/21/52/62/822215262.db2.gz ZKDXAGGUBNBGBS-GHMZBOCLSA-N -1 0 320.353 -0.570 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@@H]1C[C@H]1C1CC1 ZINC001077814950 822231359 /nfs/dbraw/zinc/23/13/59/822231359.db2.gz KKKQTDFRNIRHLP-LNFKQOIKSA-N -1 0 307.354 -0.782 20 0 DBADRM CC[C@H](F)C(=O)NCC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077837065 822244953 /nfs/dbraw/zinc/24/49/53/822244953.db2.gz ALKPRRHVZVAXLY-YUMQZZPRSA-N -1 0 317.321 -0.552 20 0 DBADRM C[C@@H](CCNC(=O)CCCF)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077845656 822246119 /nfs/dbraw/zinc/24/61/19/822246119.db2.gz HFORZIGJPJZDNC-ZETCQYMHSA-N -1 0 315.305 -0.343 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CCCC1 ZINC001077979909 822299316 /nfs/dbraw/zinc/29/93/16/822299316.db2.gz GZWDFNNJIHQMLL-YUSALJHKSA-N -1 0 323.397 -0.002 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CCCC1 ZINC001077979908 822300142 /nfs/dbraw/zinc/30/01/42/822300142.db2.gz GZWDFNNJIHQMLL-MVWJERBFSA-N -1 0 323.397 -0.002 20 0 DBADRM Cc1ccc(N[C@H](C)[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001113110051 828459125 /nfs/dbraw/zinc/45/91/25/828459125.db2.gz MBYIYCBGQWBNQV-BDAKNGLRSA-N -1 0 321.341 -0.207 20 0 DBADRM COCC1(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCC1 ZINC001113117796 828459826 /nfs/dbraw/zinc/45/98/26/828459826.db2.gz NJXLOLVNOKMMAT-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)Nc1cc(F)ncn1 ZINC001113364035 828489035 /nfs/dbraw/zinc/48/90/35/828489035.db2.gz HUWUVUJBWGDIOI-WDSKDSINSA-N -1 0 323.288 -0.169 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)[C@H]2C[C@H]2C(N)=O)c1[O-] ZINC001078486893 823793107 /nfs/dbraw/zinc/79/31/07/823793107.db2.gz UPZPOZKWJWRKLT-ZQARSLAVSA-N -1 0 323.353 -0.830 20 0 DBADRM CC(=O)CCCC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001113860597 828575267 /nfs/dbraw/zinc/57/52/67/828575267.db2.gz OMIIURKFWNFCGC-IWIIMEHWSA-N -1 0 307.354 -0.184 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@H]2C)c1[O-] ZINC001079577580 823917781 /nfs/dbraw/zinc/91/77/81/823917781.db2.gz IZDCPHAZKZENFR-VXNVDRBHSA-N -1 0 320.357 -0.802 20 0 DBADRM CNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001079579770 823918187 /nfs/dbraw/zinc/91/81/87/823918187.db2.gz YNYSRZYXQBQFCN-SZEHBUNVSA-N -1 0 309.370 -0.392 20 0 DBADRM C/C=C(\C)C(=O)N(CC)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001079580761 823918788 /nfs/dbraw/zinc/91/87/88/823918788.db2.gz WRFKJNSCQXFXPG-RUDMXATFSA-N -1 0 323.353 -0.285 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)n1cncn1 ZINC001079596233 823920858 /nfs/dbraw/zinc/92/08/58/823920858.db2.gz VQNNXTDGMFNCQF-OPRDCNLKSA-N -1 0 320.357 -0.701 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnn(C)c1N ZINC001079607393 823923733 /nfs/dbraw/zinc/92/37/33/823923733.db2.gz RIPURRAQAKKZBA-VXNVDRBHSA-N -1 0 320.357 -0.924 20 0 DBADRM CCn1nccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001079618938 823925598 /nfs/dbraw/zinc/92/55/98/823925598.db2.gz UBXNZDSYPOJKPY-NXEZZACHSA-N -1 0 319.369 -0.023 20 0 DBADRM Cc1c[nH]nc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001079664738 823941706 /nfs/dbraw/zinc/94/17/06/823941706.db2.gz JKKXZZCUPJFHIS-NXEZZACHSA-N -1 0 319.369 -0.610 20 0 DBADRM COC1CC(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)C1 ZINC001079920836 823982712 /nfs/dbraw/zinc/98/27/12/823982712.db2.gz UGUJAHCDARYPBR-AGVGLQIMSA-N -1 0 309.370 -0.128 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1csnn1 ZINC001080212862 824013595 /nfs/dbraw/zinc/01/35/95/824013595.db2.gz RRXOEPRCCWYTDM-RNFRBKRXSA-N -1 0 309.355 -0.388 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C[C@@H]1CCC(=O)N1 ZINC001080604093 824063708 /nfs/dbraw/zinc/06/37/08/824063708.db2.gz LKVWVBKCUBXFKE-KXUCPTDWSA-N -1 0 322.369 -0.885 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C[C@H]1CCC(=O)N1 ZINC001080604094 824063908 /nfs/dbraw/zinc/06/39/08/824063908.db2.gz LKVWVBKCUBXFKE-OPRDCNLKSA-N -1 0 322.369 -0.885 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)CC3CC3)C2)c1[O-] ZINC001081163205 824144784 /nfs/dbraw/zinc/14/47/84/824144784.db2.gz GADSRYGBLGNHPG-QWRGUYRKSA-N -1 0 322.365 -0.227 20 0 DBADRM CC(C)=CC(=O)NC[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001081226225 824171091 /nfs/dbraw/zinc/17/10/91/824171091.db2.gz SJLNTSFASOMEOE-WDEREUQCSA-N -1 0 322.365 -0.061 20 0 DBADRM CC(C)(C)C(=O)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114077126 828618224 /nfs/dbraw/zinc/61/82/24/828618224.db2.gz NCJSFROZBFWCPL-MBTKJCJQSA-N -1 0 307.354 -0.328 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](CNC(=O)C(C)C)[C@H](O)C2)c1[O-] ZINC001081273394 824185482 /nfs/dbraw/zinc/18/54/82/824185482.db2.gz MXIFQBHTFFTINJ-NXEZZACHSA-N -1 0 310.354 -0.371 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1CCCO1 ZINC001081326318 824203654 /nfs/dbraw/zinc/20/36/54/824203654.db2.gz LTWGCOJTNXTKGX-KXUCPTDWSA-N -1 0 311.342 -0.995 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1CC=CC1 ZINC001081464519 824263426 /nfs/dbraw/zinc/26/34/26/824263426.db2.gz DECSASNJCSKCPF-GHMZBOCLSA-N -1 0 307.354 -0.208 20 0 DBADRM O=C(CC[C@H]1CCOC1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114133812 828630395 /nfs/dbraw/zinc/63/03/95/828630395.db2.gz DVKXSWMLHJYRKD-KZWBYHQPSA-N -1 0 321.381 -0.127 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C=C1CCC1 ZINC001081523898 824282786 /nfs/dbraw/zinc/28/27/86/824282786.db2.gz AFMIWTVHWBHXCC-GHMZBOCLSA-N -1 0 307.354 -0.064 20 0 DBADRM CO[C@H](C)CCC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114167617 828639973 /nfs/dbraw/zinc/63/99/73/828639973.db2.gz DRQUJGGUYZZSHL-DNJQJEMRSA-N -1 0 309.370 -0.128 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCC[C@H]2CNC(=O)C(N)=O)c1[O-] ZINC001082006417 824386500 /nfs/dbraw/zinc/38/65/00/824386500.db2.gz MQSRHOSHWRDEFG-QMMMGPOBSA-N -1 0 309.326 -0.980 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1CC12CC2 ZINC001082171012 824405795 /nfs/dbraw/zinc/40/57/95/824405795.db2.gz IYAWZZBOWJVZCB-OPRDCNLKSA-N -1 0 307.354 -0.374 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001082221281 824410268 /nfs/dbraw/zinc/41/02/68/824410268.db2.gz XIOTYJPZYIRGKB-IRCOFANPSA-N -1 0 321.381 -0.128 20 0 DBADRM CC(C)(F)C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001082977517 824475634 /nfs/dbraw/zinc/47/56/34/824475634.db2.gz MHPCCQUWZTXTDB-DTWKUNHWSA-N -1 0 313.333 -0.330 20 0 DBADRM O=C(c1ccco1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001082981885 824476346 /nfs/dbraw/zinc/47/63/46/824476346.db2.gz WYBVSPXAHWTENE-GXSJLCMTSA-N -1 0 319.321 -0.171 20 0 DBADRM O=C(c1ccc[nH]1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001082998800 824478050 /nfs/dbraw/zinc/47/80/50/824478050.db2.gz IHTFZRNXTFFITR-WDEREUQCSA-N -1 0 318.337 -0.436 20 0 DBADRM O=C(/C=C/C1CC1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083033765 824485111 /nfs/dbraw/zinc/48/51/11/824485111.db2.gz FFSBMQPTNVMAIT-HEKLCECKSA-N -1 0 319.365 -0.112 20 0 DBADRM O=C(/C=C\C1CC1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083033766 824485380 /nfs/dbraw/zinc/48/53/80/824485380.db2.gz FFSBMQPTNVMAIT-RRNNCXACSA-N -1 0 319.365 -0.112 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083165584 824509571 /nfs/dbraw/zinc/50/95/71/824509571.db2.gz CNOILFNDAWLZAT-XWLWVQCSSA-N -1 0 307.354 -0.422 20 0 DBADRM O=C([C@@H]1CC12CC2)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083204824 824516418 /nfs/dbraw/zinc/51/64/18/824516418.db2.gz GHAOCVZJVTUXOY-GARJFASQSA-N -1 0 319.365 -0.278 20 0 DBADRM O=C(Cc1ccsc1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083321733 824542850 /nfs/dbraw/zinc/54/28/50/824542850.db2.gz YZKAZFHMEFMVPM-ZJUUUORDSA-N -1 0 323.378 -0.524 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@H]1CC=CCC1 ZINC001083336446 824551786 /nfs/dbraw/zinc/55/17/86/824551786.db2.gz XYSJFHUFNCOEEX-AXFHLTTASA-N -1 0 307.354 -0.472 20 0 DBADRM Cc1cccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)n1 ZINC001083345894 824557670 /nfs/dbraw/zinc/55/76/70/824557670.db2.gz HFWDXRFBKDRTMP-MNOVXSKESA-N -1 0 318.337 -0.811 20 0 DBADRM Cc1ncsc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083353328 824564153 /nfs/dbraw/zinc/56/41/53/824564153.db2.gz ZCJQHFNWCKBVLX-SFYZADRCSA-N -1 0 324.366 -0.750 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nonc3C)C[C@@H]2O)c1[O-] ZINC001083410832 824607560 /nfs/dbraw/zinc/60/75/60/824607560.db2.gz WOXBCHUTTUZXCL-ZJUUUORDSA-N -1 0 322.325 -0.910 20 0 DBADRM CCc1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)co1 ZINC001083418580 824611019 /nfs/dbraw/zinc/61/10/19/824611019.db2.gz PPGWFWUGPWCIOI-APPZFPTMSA-N -1 0 322.325 -0.964 20 0 DBADRM CC1(C)CC(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C1 ZINC001083441393 824625520 /nfs/dbraw/zinc/62/55/20/824625520.db2.gz LCSAOUWLORHJKZ-ZJUUUORDSA-N -1 0 309.370 -0.392 20 0 DBADRM O=C(C[C@@H]1C=CCCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083562714 824676381 /nfs/dbraw/zinc/67/63/81/824676381.db2.gz MVNCKNMICVYCQF-UTUOFQBUSA-N -1 0 321.381 -0.082 20 0 DBADRM CC1(C)CCC[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083708433 824739823 /nfs/dbraw/zinc/73/98/23/824739823.db2.gz ZJMIIWIMRJFOCX-AXFHLTTASA-N -1 0 323.397 -0.002 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001083714973 824743470 /nfs/dbraw/zinc/74/34/70/824743470.db2.gz POLWHJQMVJYDAL-KJPMQGKISA-N -1 0 307.354 -0.782 20 0 DBADRM CC1(C)CC(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C1 ZINC001083721711 824746922 /nfs/dbraw/zinc/74/69/22/824746922.db2.gz PGMJMUDCLHNUIK-MNOVXSKESA-N -1 0 323.397 -0.002 20 0 DBADRM CCc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)no1 ZINC001083967326 824844626 /nfs/dbraw/zinc/84/46/26/824844626.db2.gz BIGHDJUKRXUQGZ-ZJUUUORDSA-N -1 0 322.325 -0.964 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1[C@H]2CN(CCF)C[C@H]21 ZINC001114516339 828706438 /nfs/dbraw/zinc/70/64/38/828706438.db2.gz WNODPTHJUGKPEU-VROVMSAKSA-N -1 0 311.317 -0.769 20 0 DBADRM O=C(NCCC[NH2+]Cc1n[nH]c(=O)[n-]1)[C@H]1CCn2cncc2C1 ZINC001161214676 832990709 /nfs/dbraw/zinc/99/07/09/832990709.db2.gz CKFFSECHCQBHLZ-JTQLQIEISA-N -1 0 319.369 -0.435 20 0 DBADRM CC[C@H](OC)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084222117 824909649 /nfs/dbraw/zinc/90/96/49/824909649.db2.gz BVSCAWBDBMBXSC-MXWKQRLJSA-N -1 0 309.370 -0.032 20 0 DBADRM CNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001084282745 824917128 /nfs/dbraw/zinc/91/71/28/824917128.db2.gz DEZQICODXAZCQK-GMTAPVOTSA-N -1 0 321.381 -0.295 20 0 DBADRM CNC(=O)CN1CC[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001084282698 824917803 /nfs/dbraw/zinc/91/78/03/824917803.db2.gz BEWAFSVPYJVGGX-NXEZZACHSA-N -1 0 307.354 -0.684 20 0 DBADRM O=C(c1ncc[nH]1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084330955 824926097 /nfs/dbraw/zinc/92/60/97/824926097.db2.gz CCPBRCNXNVJTPF-RKDXNWHRSA-N -1 0 303.326 -0.420 20 0 DBADRM O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084588324 824953197 /nfs/dbraw/zinc/95/31/97/824953197.db2.gz NZPPQGDZZFYGJI-HMUNZLOLSA-N -1 0 319.365 -0.565 20 0 DBADRM O=C(Cc1cnc[nH]1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084687216 824963427 /nfs/dbraw/zinc/96/34/27/824963427.db2.gz QZLJDUMGICKFSK-MWLCHTKSSA-N -1 0 317.353 -0.491 20 0 DBADRM O=C(c1ccncn1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084729516 824969451 /nfs/dbraw/zinc/96/94/51/824969451.db2.gz HGMHFKXUAAUWDF-MWLCHTKSSA-N -1 0 315.337 -0.353 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cnccn1 ZINC001085464732 825019901 /nfs/dbraw/zinc/01/99/01/825019901.db2.gz KQPKSVYXTDNEQL-VIFPVBQESA-N -1 0 303.326 -0.353 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2CC(=O)N2CCC2)c1[O-] ZINC001085550600 825042209 /nfs/dbraw/zinc/04/22/09/825042209.db2.gz ZLPJASCLQPWCPB-LLVKDONJSA-N -1 0 321.381 -0.198 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cnn(C)c1N ZINC001085559991 825044262 /nfs/dbraw/zinc/04/42/62/825044262.db2.gz CDODCAVCDQSBGX-QMMMGPOBSA-N -1 0 320.357 -0.828 20 0 DBADRM Cc1ccnc(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001085574451 825050048 /nfs/dbraw/zinc/05/00/48/825050048.db2.gz XTTWOKAYNNQFIA-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM Cc1ncn(C)c1C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085655161 825072124 /nfs/dbraw/zinc/07/21/24/825072124.db2.gz JDYLFMOZTVMVHG-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCCNC1=O ZINC001085653765 825073436 /nfs/dbraw/zinc/07/34/36/825073436.db2.gz YUHUYNBSNNEWKL-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM COC1CC(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001085659893 825076745 /nfs/dbraw/zinc/07/67/45/825076745.db2.gz HDPIMIGNMXCNHO-YVNMAJEFSA-N -1 0 309.370 -0.032 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCC(=O)NC1 ZINC001085688118 825084094 /nfs/dbraw/zinc/08/40/94/825084094.db2.gz BVLGYSAARGXNRE-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCC(=O)NC1 ZINC001085688116 825085179 /nfs/dbraw/zinc/08/51/79/825085179.db2.gz BVLGYSAARGXNRE-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1c[nH]c(=O)n1C ZINC001085765311 825104862 /nfs/dbraw/zinc/10/48/62/825104862.db2.gz VUJCQPKBIBFYTG-QMMMGPOBSA-N -1 0 321.341 -0.704 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1n[nH]cc1F ZINC001085803200 825117183 /nfs/dbraw/zinc/11/71/83/825117183.db2.gz KAXQDINAUJITNK-SSDOTTSWSA-N -1 0 309.305 -0.281 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085825565 825120941 /nfs/dbraw/zinc/12/09/41/825120941.db2.gz PBBDJAFDESYXTA-SCVCMEIPSA-N -1 0 309.370 -0.032 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ccnnc1 ZINC001085839830 825122073 /nfs/dbraw/zinc/12/20/73/825122073.db2.gz SQHSBKVDGLDHDJ-JTQLQIEISA-N -1 0 303.326 -0.353 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001086062618 825168578 /nfs/dbraw/zinc/16/85/78/825168578.db2.gz CTJKJUPUDBCOOI-OCAPTIKFSA-N -1 0 321.341 -0.454 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001086342224 825233800 /nfs/dbraw/zinc/23/38/00/825233800.db2.gz CTJKJUPUDBCOOI-ZKCHVHJHSA-N -1 0 321.341 -0.454 20 0 DBADRM O=C(NCCC[NH2+]Cc1n[nH]c(=O)[n-]1)[C@@H]1CCn2cncc2C1 ZINC001161214677 832991329 /nfs/dbraw/zinc/99/13/29/832991329.db2.gz CKFFSECHCQBHLZ-SNVBAGLBSA-N -1 0 319.369 -0.435 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)c2cnon2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087767990 825358836 /nfs/dbraw/zinc/35/88/36/825358836.db2.gz FOUMQDBALSBRAG-IONNQARKSA-N -1 0 307.314 -0.324 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3nnn(C)n3)[C@@H]2C)c1[O-] ZINC001088525977 825433069 /nfs/dbraw/zinc/43/30/69/825433069.db2.gz WOLVTJAURSNZAB-BDAKNGLRSA-N -1 0 320.357 -0.660 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C[C@@H]2COC(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088523863 825433192 /nfs/dbraw/zinc/43/31/92/825433192.db2.gz VDZHUIOTCVIQCZ-UTLUCORTSA-N -1 0 323.353 -0.458 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C)n1cncn1 ZINC001088530526 825433349 /nfs/dbraw/zinc/43/33/49/825433349.db2.gz AOEPDOHMDCQILU-BBBLOLIVSA-N -1 0 320.357 -0.558 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088537092 825435653 /nfs/dbraw/zinc/43/56/53/825435653.db2.gz DZJAGXDHSAEKJC-KOLCDFICSA-N -1 0 307.354 -0.064 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088649715 825450131 /nfs/dbraw/zinc/45/01/31/825450131.db2.gz RPNYJSHFJUUMSB-APPZFPTMSA-N -1 0 319.325 -0.601 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cc2cnoc2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088811364 825463940 /nfs/dbraw/zinc/46/39/40/825463940.db2.gz YUAKTBBOIJEJPR-SCZZXKLOSA-N -1 0 306.326 -0.180 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCN1CCF ZINC001088927304 825476243 /nfs/dbraw/zinc/47/62/43/825476243.db2.gz IJYMQOHYPXFRGX-KOLCDFICSA-N -1 0 322.344 -0.380 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2ccn(C)n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001089036118 825487447 /nfs/dbraw/zinc/48/74/47/825487447.db2.gz PHAMHEFUIZGHQJ-BDAKNGLRSA-N -1 0 305.342 -0.363 20 0 DBADRM CC(=O)N1CC[C@H](n2cc(CNCc3n[nH]c(=O)[n-]3)nn2)C1 ZINC001089572711 825512957 /nfs/dbraw/zinc/51/29/57/825512957.db2.gz WICMYYSUHBSZNJ-JTQLQIEISA-N -1 0 306.330 -0.815 20 0 DBADRM CC(=O)N[C@@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1O ZINC001089975080 825534982 /nfs/dbraw/zinc/53/49/82/825534982.db2.gz DKONZWNTVZWZBP-VXGBXAGGSA-N -1 0 305.338 -0.906 20 0 DBADRM CC(F)(F)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090001061 825542618 /nfs/dbraw/zinc/54/26/18/825542618.db2.gz MJWHFVMJAMAKCE-RNFRBKRXSA-N -1 0 305.285 -0.783 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccccn1 ZINC001090013766 825546632 /nfs/dbraw/zinc/54/66/32/825546632.db2.gz OUDNWHFORBQDOO-ONGXEEELSA-N -1 0 318.337 -0.730 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cccnc1 ZINC001090016924 825547787 /nfs/dbraw/zinc/54/77/87/825547787.db2.gz QGJNZMJTAXAVIN-MNOVXSKESA-N -1 0 318.337 -0.730 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccsc1 ZINC001090048510 825552603 /nfs/dbraw/zinc/55/26/03/825552603.db2.gz ZMFJWIANDYUALF-VHSXEESVSA-N -1 0 323.378 -0.063 20 0 DBADRM Cc1occc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090055847 825554449 /nfs/dbraw/zinc/55/44/49/825554449.db2.gz ZNCSXWKTHYQAAE-GHMZBOCLSA-N -1 0 321.337 -0.223 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1=COCCC1 ZINC001090126610 825576080 /nfs/dbraw/zinc/57/60/80/825576080.db2.gz ZDCMWOBDUWCEST-WDEREUQCSA-N -1 0 323.353 -0.744 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ccon3)C[C@H]2O)c1[O-] ZINC001090202517 825594970 /nfs/dbraw/zinc/59/49/70/825594970.db2.gz YVKRJUNSULQZPZ-WDEREUQCSA-N -1 0 321.337 -0.223 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1(C2CC2)CC1 ZINC001090347099 825644889 /nfs/dbraw/zinc/64/48/89/825644889.db2.gz MDIUOGCIOSWNKC-MNOVXSKESA-N -1 0 321.381 -0.248 20 0 DBADRM CC1(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CCC1 ZINC001090494463 825719949 /nfs/dbraw/zinc/71/99/49/825719949.db2.gz YPQOGBFFZXISAF-UWVGGRQHSA-N -1 0 309.370 -0.248 20 0 DBADRM CC(C)(C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC1 ZINC001090507512 825725926 /nfs/dbraw/zinc/72/59/26/825725926.db2.gz ODFLWJQZRZIQLJ-QWRGUYRKSA-N -1 0 323.397 -0.002 20 0 DBADRM Cc1nocc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090537435 825742936 /nfs/dbraw/zinc/74/29/36/825742936.db2.gz LKWLPPYBOOAZGB-VHSXEESVSA-N -1 0 322.325 -0.828 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1nccs1 ZINC001090670537 825793416 /nfs/dbraw/zinc/79/34/16/825793416.db2.gz FFTSTTONYPYMNR-HTQZYQBOSA-N -1 0 324.366 -0.668 20 0 DBADRM Cc1c[nH]cc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090804220 825849655 /nfs/dbraw/zinc/84/96/55/825849655.db2.gz GQKYLKVLJVVBRA-GHMZBOCLSA-N -1 0 320.353 -0.488 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CC([NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001090985806 825894383 /nfs/dbraw/zinc/89/43/83/825894383.db2.gz CTJKJUPUDBCOOI-UHFFFAOYSA-N -1 0 321.341 -0.454 20 0 DBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)c1cn[nH]c1)C2 ZINC001091510789 825963560 /nfs/dbraw/zinc/96/35/60/825963560.db2.gz GSERKIYVNHQHMN-YGRLFVJLSA-N -1 0 317.353 -0.173 20 0 DBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)c1cc[nH]n1)C2 ZINC001091501474 825964421 /nfs/dbraw/zinc/96/44/21/825964421.db2.gz FKAJBIZAEFNJNG-OTYXRUKQSA-N -1 0 317.353 -0.173 20 0 DBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)[C@H]1CCOC1)C2 ZINC001091528402 825967365 /nfs/dbraw/zinc/96/73/65/825967365.db2.gz FSMUUYUVCJLGDE-RWSFTLGLSA-N -1 0 321.381 -0.173 20 0 DBADRM CCCC(=O)N1CC(n2cc(CNCc3n[nH]c(=O)[n-]3)nn2)C1 ZINC001093298455 826116459 /nfs/dbraw/zinc/11/64/59/826116459.db2.gz GKXWSBCACRUGDD-UHFFFAOYSA-N -1 0 320.357 -0.425 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNc2cc(C)nc(CO)n2)c1[O-] ZINC001093585684 826146004 /nfs/dbraw/zinc/14/60/04/826146004.db2.gz SSRKANSZFGLDJW-UHFFFAOYSA-N -1 0 306.326 -0.144 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNc2ncnc3c2nnn3C)c1[O-] ZINC001093585119 826146316 /nfs/dbraw/zinc/14/63/16/826146316.db2.gz BVXITWLLPFDMFH-UHFFFAOYSA-N -1 0 317.313 -0.663 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNc1ncncc1Cl ZINC001093779170 826167466 /nfs/dbraw/zinc/16/74/66/826167466.db2.gz BPFNDQFMJOXHQU-UHFFFAOYSA-N -1 0 313.705 -0.639 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNc1ncnc2c1CCC2 ZINC001093779219 826167942 /nfs/dbraw/zinc/16/79/42/826167942.db2.gz DCQGNCIFTCESCS-UHFFFAOYSA-N -1 0 319.325 -0.804 20 0 DBADRM COc1cc(C)nc(NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001094253461 826210782 /nfs/dbraw/zinc/21/07/82/826210782.db2.gz POLVJMVUTIDKNJ-UHFFFAOYSA-N -1 0 321.297 -0.768 20 0 DBADRM CCc1cc(NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)nc(C)n1 ZINC001094253054 826210998 /nfs/dbraw/zinc/21/09/98/826210998.db2.gz AIQDDNWDCVESPH-UHFFFAOYSA-N -1 0 319.325 -0.214 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCNc1cc(F)ncn1 ZINC001094527837 826246817 /nfs/dbraw/zinc/24/68/17/826246817.db2.gz TVDITUQDWDDHGA-UHFFFAOYSA-N -1 0 311.277 -0.763 20 0 DBADRM Cc1ccc(NCCCNC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001094527435 826246977 /nfs/dbraw/zinc/24/69/77/826246977.db2.gz HZBNRZWZIWKLRX-UHFFFAOYSA-N -1 0 307.314 -0.594 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCCNc1ncccn1 ZINC001094646565 826252985 /nfs/dbraw/zinc/25/29/85/826252985.db2.gz IFOGZYLJTQAMNR-UHFFFAOYSA-N -1 0 321.341 -0.122 20 0 DBADRM CC(C)C(=O)N[C@@H]1CC(=O)N(C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001094707888 826263789 /nfs/dbraw/zinc/26/37/89/826263789.db2.gz QNOGRGWZMVSPRT-SECBINFHSA-N -1 0 322.369 -0.932 20 0 DBADRM CCN1CC(N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])CC2=O)C1 ZINC001094722205 826270857 /nfs/dbraw/zinc/27/08/57/826270857.db2.gz QDHNKVYSTMJRQC-VIFPVBQESA-N -1 0 307.354 -0.541 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1ccn[nH]1 ZINC001095193510 826310898 /nfs/dbraw/zinc/31/08/98/826310898.db2.gz STGVHEXJGKTDOH-JEZHCXPESA-N -1 0 303.326 -0.231 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@H]1COCCO1 ZINC001095192184 826311553 /nfs/dbraw/zinc/31/15/53/826311553.db2.gz MHUAFGIWQGLDDT-VPOLOUISSA-N -1 0 323.353 -0.853 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1csnn1 ZINC001095827131 826345996 /nfs/dbraw/zinc/34/59/96/826345996.db2.gz XFMUAGYIYVQIOF-FJXKBIBVSA-N -1 0 321.366 -0.103 20 0 DBADRM CCN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ncccn1 ZINC001095991969 826354138 /nfs/dbraw/zinc/35/41/38/826354138.db2.gz YGMIKAVZEQQFOA-UHFFFAOYSA-N -1 0 319.325 -0.281 20 0 DBADRM O=C(Cc1nc[nH]n1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001096308489 826369329 /nfs/dbraw/zinc/36/93/29/826369329.db2.gz LWLZDGMYJALDMN-VGMNWLOBSA-N -1 0 318.341 -0.907 20 0 DBADRM O=C(CCc1ccon1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001274201512 833044041 /nfs/dbraw/zinc/04/40/41/833044041.db2.gz ABPAHKYTEKIFGC-UPHRSURJSA-N -1 0 306.326 -0.107 20 0 DBADRM O=C(NC[C@@H](Nc1ncccn1)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001096850574 826400010 /nfs/dbraw/zinc/40/00/10/826400010.db2.gz UZGOHLNPDUVODG-MRVPVSSYSA-N -1 0 317.309 -0.307 20 0 DBADRM O=C(Cc1ccon1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001096897472 826401218 /nfs/dbraw/zinc/40/12/18/826401218.db2.gz FOIBCQOAGHVCSI-MXWKQRLJSA-N -1 0 318.337 -0.038 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cncnc1 ZINC001096986730 826404816 /nfs/dbraw/zinc/40/48/16/826404816.db2.gz GNXKBKSZDSBUMK-MXWKQRLJSA-N -1 0 315.337 -0.164 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cn[nH]n1 ZINC001097414232 826419910 /nfs/dbraw/zinc/41/99/10/826419910.db2.gz ZKZMJJPWVZJMDS-BHNWBGBOSA-N -1 0 304.314 -0.836 20 0 DBADRM O=C(Cc1c[nH]cn1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001097937249 826441978 /nfs/dbraw/zinc/44/19/78/826441978.db2.gz WLUSBKGZIPYMRQ-MXWKQRLJSA-N -1 0 317.353 -0.302 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1cc(F)ncn1 ZINC001097976683 826443394 /nfs/dbraw/zinc/44/33/94/826443394.db2.gz OIAZEHLSNPJZGC-ZCFIWIBFSA-N -1 0 311.277 -0.765 20 0 DBADRM C[C@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)Nc1ncccn1 ZINC001098133516 826451283 /nfs/dbraw/zinc/45/12/83/826451283.db2.gz FQQZOPVYMATOGC-SECBINFHSA-N -1 0 321.341 -0.124 20 0 DBADRM Cc1ccnc(N[C@H](C)CNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001098178658 826453273 /nfs/dbraw/zinc/45/32/73/826453273.db2.gz RCQMFDUCEHMSFK-SECBINFHSA-N -1 0 318.337 -0.185 20 0 DBADRM O=C(Cc1nc[nH]n1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001098186423 826453332 /nfs/dbraw/zinc/45/33/32/826453332.db2.gz LWLZDGMYJALDMN-HLTSFMKQSA-N -1 0 318.341 -0.907 20 0 DBADRM Cc1cc(N[C@H](C)CNC(=O)c2cnc([O-])n(C)c2=O)ncn1 ZINC001098178912 826453634 /nfs/dbraw/zinc/45/36/34/826453634.db2.gz ZGFZSYUJTVPNTO-SECBINFHSA-N -1 0 318.337 -0.185 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@@H]1CCC(=O)N1 ZINC001098244194 826457405 /nfs/dbraw/zinc/45/74/05/826457405.db2.gz AMJBKKCORNYOCY-RGOKHQFPSA-N -1 0 320.353 -0.990 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]23CCC[C@H]2CN(CC(N)=O)C3)c1[O-] ZINC001098795067 826530285 /nfs/dbraw/zinc/53/02/85/826530285.db2.gz OCETULDYPIGURN-XPTSAGLGSA-N -1 0 307.354 -0.507 20 0 DBADRM Cc1ccc(N[C@H](C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001099362431 826565069 /nfs/dbraw/zinc/56/50/69/826565069.db2.gz WYXKYLSXYSEUET-MRVPVSSYSA-N -1 0 321.341 -0.205 20 0 DBADRM CC(C)NC(=O)N1C[C@H]2CN(C(=O)c3cc(=O)[nH][n-]3)C[C@@H](C1)O2 ZINC001274428665 833075006 /nfs/dbraw/zinc/07/50/06/833075006.db2.gz MSFCINVERVBDRL-AOOOYVTPSA-N -1 0 323.353 -0.242 20 0 DBADRM COCCOCN1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001274428736 833075410 /nfs/dbraw/zinc/07/54/10/833075410.db2.gz NYULHQZXLXINMA-MNOVXSKESA-N -1 0 310.354 -0.118 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1C[C@@H]2COC[C@H](C1)N2Cc1cn[nH]c1 ZINC001274429391 833075650 /nfs/dbraw/zinc/07/56/50/833075650.db2.gz ZQGAVRSNWKMRFP-PHIMTYICSA-N -1 0 318.337 -0.436 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1C[C@@H]2OCCN(Cc3cn[nH]c3)[C@H]2C1 ZINC001274428831 833075830 /nfs/dbraw/zinc/07/58/30/833075830.db2.gz QEXVYVBADXXJMK-RYUDHWBXSA-N -1 0 318.337 -0.436 20 0 DBADRM CC(C)CCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099662600 826608326 /nfs/dbraw/zinc/60/83/26/826608326.db2.gz ATSDXGNGDYKPSA-WDEREUQCSA-N -1 0 311.386 -0.002 20 0 DBADRM O=C(/C=C\C1CC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099768551 826660621 /nfs/dbraw/zinc/66/06/21/826660621.db2.gz FMFLPZXFUYTUHV-CJOPTALJSA-N -1 0 307.354 -0.472 20 0 DBADRM CCC1(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CC1 ZINC001099994197 826764748 /nfs/dbraw/zinc/76/47/48/826764748.db2.gz MKEDQFLCCAYXQL-VHSXEESVSA-N -1 0 309.370 -0.248 20 0 DBADRM CC(C)C1(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CC1 ZINC001099996036 826766101 /nfs/dbraw/zinc/76/61/01/826766101.db2.gz HZWWQLSJJRQLKO-GHMZBOCLSA-N -1 0 323.397 -0.002 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)c2ccc3nnnn3n2)c1[O-] ZINC001100014344 826772465 /nfs/dbraw/zinc/77/24/65/826772465.db2.gz HTGRUILIMSNHDM-UHFFFAOYSA-N -1 0 317.313 -0.877 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)c2nccn3nnnc23)c1[O-] ZINC001100014615 826773381 /nfs/dbraw/zinc/77/33/81/826773381.db2.gz RLMYSASCPPBHRU-UHFFFAOYSA-N -1 0 317.313 -0.877 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)c2cc(C)nc(CO)n2)c1[O-] ZINC001100014761 826774112 /nfs/dbraw/zinc/77/41/12/826774112.db2.gz XBPYHWCDLYJNJW-UHFFFAOYSA-N -1 0 320.353 -0.119 20 0 DBADRM C[C@H](C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001274651281 833116299 /nfs/dbraw/zinc/11/62/99/833116299.db2.gz SMLBWOZZNHURCL-FSIBCCDJSA-N -1 0 319.369 -0.191 20 0 DBADRM CN1CCO[C@H](CNc2ccc3c(c2)S(=O)(=O)[N-]C3=O)C1 ZINC001162689401 833116493 /nfs/dbraw/zinc/11/64/93/833116493.db2.gz FOAMSAYEQUVXNF-SNVBAGLBSA-N -1 0 311.363 -0.139 20 0 DBADRM COCCOCN1CCC2(CN(C(=O)c3cc(=O)n(C)[n-]3)C2)C1 ZINC001274805751 833128423 /nfs/dbraw/zinc/12/84/23/833128423.db2.gz ZBBBAQZPYPEJNV-UHFFFAOYSA-N -1 0 324.381 -0.106 20 0 DBADRM CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001274805164 833128455 /nfs/dbraw/zinc/12/84/55/833128455.db2.gz MHEQAUQLUUCBPH-MNOVXSKESA-N -1 0 321.381 -0.640 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1cc(C)ncn1 ZINC001100765388 827017758 /nfs/dbraw/zinc/01/77/58/827017758.db2.gz GTOOSGLTPGXVCO-UHFFFAOYSA-N -1 0 319.325 -0.362 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1nccc(C)n1 ZINC001100765429 827018169 /nfs/dbraw/zinc/01/81/69/827018169.db2.gz ISHWEGPBGMHAIY-UHFFFAOYSA-N -1 0 319.325 -0.362 20 0 DBADRM Cc1nsc(NCCN(C)C(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001101886884 827159350 /nfs/dbraw/zinc/15/93/50/827159350.db2.gz HLRXESLDWRVYHY-UHFFFAOYSA-N -1 0 324.366 -0.170 20 0 DBADRM CN(CCNc1ncccn1)C(=O)c1c[n-]n2c1nccc2=O ZINC001101987295 827173603 /nfs/dbraw/zinc/17/36/03/827173603.db2.gz IJCKRTLCWZKHSF-UHFFFAOYSA-N -1 0 313.321 -0.003 20 0 DBADRM Cc1ccnc(NCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001102050608 827183687 /nfs/dbraw/zinc/18/36/87/827183687.db2.gz ZEEGMWAPUAWNBF-UHFFFAOYSA-N -1 0 305.298 -0.435 20 0 DBADRM CN(C)C(=O)c1nnc2n1CCN(C(=O)c1ccncc1[O-])C2 ZINC001275218145 833160652 /nfs/dbraw/zinc/16/06/52/833160652.db2.gz QSQKYEUDEBXQBW-UHFFFAOYSA-N -1 0 316.321 -0.264 20 0 DBADRM Cc1nnc(CNCCCNC(=O)c2cnc([O-])n(C)c2=O)o1 ZINC001163781284 833166952 /nfs/dbraw/zinc/16/69/52/833166952.db2.gz CEIJXSLHYLKEAQ-UHFFFAOYSA-N -1 0 322.325 -0.913 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1ccc(C)nn1 ZINC001103159107 827269343 /nfs/dbraw/zinc/26/93/43/827269343.db2.gz XRCQKIIBXVNQCA-SECBINFHSA-N -1 0 321.341 -0.205 20 0 DBADRM Cc1ccc(NC[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001104273482 827335601 /nfs/dbraw/zinc/33/56/01/827335601.db2.gz RRLKWLNTEFFXRS-ZETCQYMHSA-N -1 0 319.325 -0.141 20 0 DBADRM CN(C)C(=O)[C@H]1CCC2(CN(C(=O)c3cc(=O)n(C)[n-]3)C2)O1 ZINC001275610090 833193601 /nfs/dbraw/zinc/19/36/01/833193601.db2.gz NCQYVTQAFUGRBK-SNVBAGLBSA-N -1 0 308.338 -0.413 20 0 DBADRM Cn1[n-]c(C(=O)N2CC3(C[C@H]3C(=O)NCC3COC3)C2)cc1=O ZINC001275610055 833193702 /nfs/dbraw/zinc/19/37/02/833193702.db2.gz MBYHNBXQBAELDL-JTQLQIEISA-N -1 0 320.349 -0.650 20 0 DBADRM Cc1cc(NC[C@@H](C)N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001104644218 827364809 /nfs/dbraw/zinc/36/48/09/827364809.db2.gz MHNTUQOWFYANOP-SECBINFHSA-N -1 0 321.341 -0.253 20 0 DBADRM Cc1ccnc(NC[C@H](C)N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001104880934 827377525 /nfs/dbraw/zinc/37/75/25/827377525.db2.gz BILQMZRBWDTQEN-QMMMGPOBSA-N -1 0 319.325 -0.046 20 0 DBADRM Cn1[n-]c(C(=O)N2C[C@H]3CCCO[C@H]3[C@@H](C(N)=O)C2)cc1=O ZINC001275609890 833193533 /nfs/dbraw/zinc/19/35/33/833193533.db2.gz HBAJCFHQDXEOFB-VDDIYKPWSA-N -1 0 308.338 -0.522 20 0 DBADRM CN(CCN(C)c1cc(F)ncn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001105613709 827460470 /nfs/dbraw/zinc/46/04/70/827460470.db2.gz NHOIKXVSTUKKPQ-UHFFFAOYSA-N -1 0 323.288 -0.580 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNc2nccnc2F)c1[O-] ZINC001105823016 827524221 /nfs/dbraw/zinc/52/42/21/827524221.db2.gz YGRFYVAIAPWSPO-SSDOTTSWSA-N -1 0 310.289 -0.444 20 0 DBADRM NC(=O)[C@@H]1CCC2(C1)CCN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)CC2 ZINC001275820424 833212065 /nfs/dbraw/zinc/21/20/65/833212065.db2.gz ICFADIORGMQMSP-SECBINFHSA-N -1 0 320.349 -0.429 20 0 DBADRM CC(C)(C)NC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1c[nH]c(=O)c(=O)[n-]1 ZINC001275820881 833212072 /nfs/dbraw/zinc/21/20/72/833212072.db2.gz ZGUQYUOCNKQFNX-VXJOIVPMSA-N -1 0 320.349 -0.418 20 0 DBADRM CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1CN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001275820818 833212079 /nfs/dbraw/zinc/21/20/79/833212079.db2.gz WLAVJNVLKHOHOG-DOFRTFSJSA-N -1 0 320.349 -0.750 20 0 DBADRM NC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001275820442 833212450 /nfs/dbraw/zinc/21/24/50/833212450.db2.gz IUAGUFVQZDQRHV-XLKFXECMSA-N -1 0 306.322 -0.819 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cn1ncc(=O)c2ccccc21 ZINC001164584973 833222305 /nfs/dbraw/zinc/22/23/05/833222305.db2.gz ZQJVFMQHAZFEPR-UHFFFAOYSA-N -1 0 304.306 -0.420 20 0 DBADRM CCN(CCNc1cc(C)ncn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001107000668 827691507 /nfs/dbraw/zinc/69/15/07/827691507.db2.gz LOXYXMFLXKKJGZ-UHFFFAOYSA-N -1 0 319.325 -0.045 20 0 DBADRM O=C(Nc1nnco1)[C@@]12C[C@@H]1CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276019524 833235502 /nfs/dbraw/zinc/23/55/02/833235502.db2.gz QPFDFFUXPOOHAM-SREIQFSDSA-N -1 0 304.266 -0.401 20 0 DBADRM CN(C)C(=O)C[C@H]1C[C@@H]2CN(C(=O)c3cc(=O)[nH][n-]3)C[C@@H]2O1 ZINC001276023123 833236084 /nfs/dbraw/zinc/23/60/84/833236084.db2.gz PSQAWQWOVIWCOE-KKZNHRDASA-N -1 0 308.338 -0.177 20 0 DBADRM COCCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)c1cc(=O)[nH][n-]1 ZINC001276024616 833236710 /nfs/dbraw/zinc/23/67/10/833236710.db2.gz BEZOMVJEUQFUKO-OTYXRUKQSA-N -1 0 308.338 -0.175 20 0 DBADRM Cc1cc(NC/C=C\CNC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001107281259 827736774 /nfs/dbraw/zinc/73/67/74/827736774.db2.gz IIODDQHRXKBFTF-IHWYPQMZSA-N -1 0 319.325 -0.428 20 0 DBADRM Cc1ccnc(NC/C=C/CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001107286871 827738185 /nfs/dbraw/zinc/73/81/85/827738185.db2.gz GZJJGFSSHNGUBX-NSCUHMNNSA-N -1 0 319.325 -0.428 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC/C=C/CNc1cc(F)ncn1 ZINC001107287461 827738404 /nfs/dbraw/zinc/73/84/04/827738404.db2.gz XKILUVZNFNFVSU-OWOJBTEDSA-N -1 0 323.288 -0.597 20 0 DBADRM Cc1nccc(NCC=CCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001107604874 827756325 /nfs/dbraw/zinc/75/63/25/827756325.db2.gz MIUPEKNTNGROMT-IHWYPQMZSA-N -1 0 317.309 -0.221 20 0 DBADRM C[C@@]1(CNC(=O)c2cn[nH]c2)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107768595 827789747 /nfs/dbraw/zinc/78/97/47/827789747.db2.gz XVEVQFWCSKPNRJ-CYBMUJFWSA-N -1 0 321.341 -0.746 20 0 DBADRM C[C@@]1(CNC(=O)c2cnco2)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001108105279 827895908 /nfs/dbraw/zinc/89/59/08/827895908.db2.gz ZARBIVWNXGIORW-CYBMUJFWSA-N -1 0 322.325 -0.481 20 0 DBADRM CC[C@H](F)C(=O)NC[C@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001108123817 827901705 /nfs/dbraw/zinc/90/17/05/827901705.db2.gz AZTZCHUIDDMKSL-TVQRCGJNSA-N -1 0 315.349 -0.035 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001108125842 827902612 /nfs/dbraw/zinc/90/26/12/827902612.db2.gz NKINCPGBNRDBLM-RULNRJAQSA-N -1 0 309.370 -0.127 20 0 DBADRM Cc1cc(NC[C@H](C)NC(=O)c2cnc([O-])n(C)c2=O)ncn1 ZINC001108633888 828032330 /nfs/dbraw/zinc/03/23/30/828032330.db2.gz DHUKAIPSTVTPQF-VIFPVBQESA-N -1 0 318.337 -0.185 20 0 DBADRM Cc1nsc(NC[C@H](C)NC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001108634228 828032908 /nfs/dbraw/zinc/03/29/08/828032908.db2.gz KSOIYMASVFTHRQ-LURJTMIESA-N -1 0 324.366 -0.124 20 0 DBADRM Cc1ccnc(NC[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001108782407 828047338 /nfs/dbraw/zinc/04/73/38/828047338.db2.gz VJIJRDMQONKTPY-ZETCQYMHSA-N -1 0 305.298 -0.388 20 0 DBADRM Cc1cc(NC[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001108782020 828047629 /nfs/dbraw/zinc/04/76/29/828047629.db2.gz KPGLXLKILOVFOT-ZETCQYMHSA-N -1 0 305.298 -0.388 20 0 DBADRM C[C@@H](CNc1cnc(F)cn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001108782405 828047920 /nfs/dbraw/zinc/04/79/20/828047920.db2.gz VERCEGOYQRSBJZ-YFKPBYRVSA-N -1 0 309.261 -0.558 20 0 DBADRM Cc1nccc(N(C)C[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001109309986 828109339 /nfs/dbraw/zinc/10/93/39/828109339.db2.gz VHAHYYVJXNFYAW-ZETCQYMHSA-N -1 0 319.325 -0.364 20 0 DBADRM Cc1nccc(N(C)C[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001109309985 828109406 /nfs/dbraw/zinc/10/94/06/828109406.db2.gz VHAHYYVJXNFYAW-SSDOTTSWSA-N -1 0 319.325 -0.364 20 0 DBADRM C[C@@H](CN(C)c1cc(F)ncn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001109310146 828109443 /nfs/dbraw/zinc/10/94/43/828109443.db2.gz ZHJXHAOQICRXCD-LURJTMIESA-N -1 0 323.288 -0.533 20 0 DBADRM Cc1cc(N(C)C[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001109309608 828109651 /nfs/dbraw/zinc/10/96/51/828109651.db2.gz KMVJCWTZNMAUPD-QMMMGPOBSA-N -1 0 319.325 -0.364 20 0 DBADRM Cc1cc(NCCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001109495433 828119464 /nfs/dbraw/zinc/11/94/64/828119464.db2.gz URLUHGNHUPTAPN-UHFFFAOYSA-N -1 0 321.341 -0.252 20 0 DBADRM COC1(OC)CCOC[C@H]1NC(=O)c1c[n-]n2c1nccc2=O ZINC001167439775 833298721 /nfs/dbraw/zinc/29/87/21/833298721.db2.gz HIXNHGAEDUEEKL-SNVBAGLBSA-N -1 0 322.321 -0.470 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(Nc2cccc(F)n2)CC1 ZINC001110195642 828156666 /nfs/dbraw/zinc/15/66/66/828156666.db2.gz TZCIBVWCQPQCBA-UHFFFAOYSA-N -1 0 322.300 -0.016 20 0 DBADRM Cc1ccc(NC2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)nn1 ZINC001110195658 828157013 /nfs/dbraw/zinc/15/70/13/828157013.db2.gz UYZREHVZMAOFDU-UHFFFAOYSA-N -1 0 319.325 -0.451 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(Nc2cnc(F)cn2)CC1 ZINC001110195312 828157293 /nfs/dbraw/zinc/15/72/93/828157293.db2.gz AVXWTXRFZDXTJJ-UHFFFAOYSA-N -1 0 323.288 -0.621 20 0 DBADRM CS(=O)(=O)c1ccc2ncnc(N[C@@H]3CO[N-]C3=O)c2c1 ZINC001167513570 833301957 /nfs/dbraw/zinc/30/19/57/833301957.db2.gz NLLOIBIEGYTZJU-SNVBAGLBSA-N -1 0 308.319 -0.125 20 0 DBADRM CC(C)NS(=O)(=O)c1cccnc1N[C@@H]1CO[N-]C1=O ZINC001167514361 833301992 /nfs/dbraw/zinc/30/19/92/833301992.db2.gz YFMHXOGWPWSCKO-MRVPVSSYSA-N -1 0 300.340 -0.390 20 0 DBADRM COc1cnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc1C ZINC001167855318 833311506 /nfs/dbraw/zinc/31/15/06/833311506.db2.gz HCJAXCBWEVAYJG-XPUUQOCRSA-N -1 0 302.312 -0.392 20 0 DBADRM C[C@H]1[C@H](Nc2cnc3c(c2)ncn3C)C(=O)N1S(=O)(=O)[O-] ZINC001167857833 833311620 /nfs/dbraw/zinc/31/16/20/833311620.db2.gz ASXREDFKCAWXKG-RCOVLWMOSA-N -1 0 311.323 -0.218 20 0 DBADRM COc1nc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc(C)c1F ZINC001167858202 833311657 /nfs/dbraw/zinc/31/16/57/833311657.db2.gz MYJMAZFOPMUONE-FSPLSTOPSA-N -1 0 320.302 -0.253 20 0 DBADRM COc1ncnc(C)c1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167860986 833311959 /nfs/dbraw/zinc/31/19/59/833311959.db2.gz HQHYWUGZDQPRGV-XPUUQOCRSA-N -1 0 302.312 -0.392 20 0 DBADRM Cc1nc(C(N)=O)ccc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167860972 833311963 /nfs/dbraw/zinc/31/19/63/833311963.db2.gz GNWROYVFRVZBFL-RCOVLWMOSA-N -1 0 314.323 -0.697 20 0 DBADRM CCc1ncnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1F ZINC001167859061 833311969 /nfs/dbraw/zinc/31/19/69/833311969.db2.gz UOKVCLPJZHWPSC-XNCJUZBTSA-N -1 0 304.303 -0.008 20 0 DBADRM C[C@H]1[C@H](Nc2ccc(N(C)C)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001167861349 833311995 /nfs/dbraw/zinc/31/19/95/833311995.db2.gz PNCJBHVXDQQDPO-XVKPBYJWSA-N -1 0 300.340 -0.038 20 0 DBADRM C[C@H]1[C@H](Nc2ccc3[nH]c(=O)cc-3[nH]2)C(=O)N1S(=O)(=O)[O-] ZINC001167861085 833312009 /nfs/dbraw/zinc/31/20/09/833312009.db2.gz KCQGATHDPUQFDS-RRAGMBSWSA-N -1 0 312.307 -0.610 20 0 DBADRM COc1nnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1C ZINC001167859489 833312072 /nfs/dbraw/zinc/31/20/72/833312072.db2.gz ZASIQPYYVNBPLS-XPUUQOCRSA-N -1 0 302.312 -0.392 20 0 DBADRM CC(C)n1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cnc1=O ZINC001167861277 833312107 /nfs/dbraw/zinc/31/21/07/833312107.db2.gz ISOFYQSTXSCPLK-CBAPKCEASA-N -1 0 316.339 -0.362 20 0 DBADRM CNC(=O)CC(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001111722790 828311279 /nfs/dbraw/zinc/31/12/79/828311279.db2.gz SHRGDBRJIYHZHV-XPTSAGLGSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@@H]1CN(c2ccc(NCCOP(=O)([O-])[O-])nn2)CC[NH2+]1 ZINC001168587663 833325630 /nfs/dbraw/zinc/32/56/30/833325630.db2.gz UQIAFMKEFXTRDA-SECBINFHSA-N -1 0 317.286 -0.204 20 0 DBADRM Cc1ccc(N[C@H](C)CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001115801407 828865407 /nfs/dbraw/zinc/86/54/07/828865407.db2.gz DWSPGYNVQKXTDW-SECBINFHSA-N -1 0 321.341 -0.253 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)cn1 ZINC001168693623 833326559 /nfs/dbraw/zinc/32/65/59/833326559.db2.gz IKJVJRPLGIWZIM-NEPJUHHUSA-N -1 0 313.321 -0.128 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)cn1 ZINC001168693624 833326822 /nfs/dbraw/zinc/32/68/22/833326822.db2.gz IKJVJRPLGIWZIM-NWDGAFQWSA-N -1 0 313.321 -0.128 20 0 DBADRM O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1n[nH]c(=O)[n-]1 ZINC001116114704 828877808 /nfs/dbraw/zinc/87/78/08/828877808.db2.gz ANOQLRMHJYISKW-QMMMGPOBSA-N -1 0 315.289 -0.032 20 0 DBADRM Cn1cc(Br)nc(-n2[n-]c(=O)nc2CN)c1=O ZINC001168761767 833328390 /nfs/dbraw/zinc/32/83/90/833328390.db2.gz VSBCEZVVKHKRAE-UHFFFAOYSA-N -1 0 301.104 -0.712 20 0 DBADRM C[C@H](O)[C@@H](O)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001168763120 833328456 /nfs/dbraw/zinc/32/84/56/833328456.db2.gz AYCGQYWGJSBZNA-KWQFWETISA-N -1 0 323.374 -0.457 20 0 DBADRM Cn1ncc(C(=O)[N-]n2ccc(=O)[nH]c2=O)c1-n1cccc1 ZINC001168869207 833329937 /nfs/dbraw/zinc/32/99/37/833329937.db2.gz NHAZDAOVPNMLKW-UHFFFAOYSA-N -1 0 300.278 -0.143 20 0 DBADRM CC(C)Cn1cc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cn1 ZINC001116509274 828899153 /nfs/dbraw/zinc/89/91/53/828899153.db2.gz OCUFWSJUMQWYJW-UHFFFAOYSA-N -1 0 307.314 -0.382 20 0 DBADRM CCNC(=O)c1ccc(NC(=O)C(=O)[N-]OCC(N)=O)c(C)c1 ZINC001116716889 828909158 /nfs/dbraw/zinc/90/91/58/828909158.db2.gz CGZQXOFBABQFOR-UHFFFAOYSA-N -1 0 322.321 -0.784 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F ZINC001116735273 828910411 /nfs/dbraw/zinc/91/04/11/828910411.db2.gz RLMKKPIFIOFPRE-UHFFFAOYSA-N -1 0 319.314 -0.308 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC001116735197 828910832 /nfs/dbraw/zinc/91/08/32/828910832.db2.gz PAMSTNLUORGBSS-UHFFFAOYSA-N -1 0 306.278 -0.646 20 0 DBADRM Cn1cc(C(=O)[N-]N2CC(=O)NC2=O)c(-c2cccnc2)n1 ZINC001116791002 828913515 /nfs/dbraw/zinc/91/35/15/828913515.db2.gz BDXAYRFJRMWKSW-UHFFFAOYSA-N -1 0 300.278 -0.321 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCc1ccc(C(=O)OC)cc1 ZINC001117047934 828934837 /nfs/dbraw/zinc/93/48/37/828934837.db2.gz ASPPWLLYGKAWGH-UHFFFAOYSA-N -1 0 324.333 -0.174 20 0 DBADRM CS(=O)(=O)CCNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001117079330 828939857 /nfs/dbraw/zinc/93/98/57/828939857.db2.gz IZWACTUQNKZZCB-UHFFFAOYSA-N -1 0 306.262 -0.853 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC001117309925 828959075 /nfs/dbraw/zinc/95/90/75/828959075.db2.gz YXMARCONODLZMV-NEPJUHHUSA-N -1 0 301.387 -0.084 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCCc1nc(C(C)C)no1 ZINC001117351959 828966397 /nfs/dbraw/zinc/96/63/97/828966397.db2.gz NJJAMYUZTXLTQN-UHFFFAOYSA-N -1 0 314.342 -0.064 20 0 DBADRM NC(=O)c1cc(CNC(=O)C(=O)[N-]OC2CCCCC2)on1 ZINC001117393430 828972767 /nfs/dbraw/zinc/97/27/67/828972767.db2.gz XTUNBQZMMRRADP-UHFFFAOYSA-N -1 0 310.310 -0.230 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCCOC1CCOCC1 ZINC001117437806 828979109 /nfs/dbraw/zinc/97/91/09/828979109.db2.gz VUENJFRVSOQKJO-UHFFFAOYSA-N -1 0 304.343 -0.618 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001117444091 828980046 /nfs/dbraw/zinc/98/00/46/828980046.db2.gz OVPPCIPXGRATFB-JTQLQIEISA-N -1 0 304.343 -0.619 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC001117487850 828985384 /nfs/dbraw/zinc/98/53/84/828985384.db2.gz KUGZBYFQLHTGGX-RISCZKNCSA-N -1 0 316.354 -0.475 20 0 DBADRM O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccccc1-c1nn[nH]n1 ZINC001169572957 833342492 /nfs/dbraw/zinc/34/24/92/833342492.db2.gz MLCDZTVYSQVUCT-UHFFFAOYSA-N -1 0 313.277 -0.232 20 0 DBADRM CN(C)c1cccc(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)n1 ZINC001117540548 828989933 /nfs/dbraw/zinc/98/99/33/828989933.db2.gz CBWOMQLINPFPHY-NSHDSACASA-N -1 0 322.365 -0.152 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCC(C)(C)S(C)(=O)=O ZINC001117570570 828992955 /nfs/dbraw/zinc/99/29/55/828992955.db2.gz DKORFETWGIZVCF-UHFFFAOYSA-N -1 0 310.372 -0.990 20 0 DBADRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC001117753579 829013691 /nfs/dbraw/zinc/01/36/91/829013691.db2.gz SRCNBTXQZBXOPJ-SECBINFHSA-N -1 0 311.342 -0.339 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1)C(=O)[O-] ZINC001118179455 829044732 /nfs/dbraw/zinc/04/47/32/829044732.db2.gz VDAPRKXNBSEMFM-VHSXEESVSA-N -1 0 324.337 -0.163 20 0 DBADRM CNC(=O)CC1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001118190574 829047300 /nfs/dbraw/zinc/04/73/00/829047300.db2.gz LBGDCNJCRWMWQM-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM COCCNC(=O)CN1CCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC001118241995 829054959 /nfs/dbraw/zinc/05/49/59/829054959.db2.gz UMKGXFADVQYNGG-UHFFFAOYSA-N -1 0 322.365 -0.336 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H](OC)c1ccccc1 ZINC001118281452 829062523 /nfs/dbraw/zinc/06/25/23/829062523.db2.gz IQDHNFPYFFRGPQ-LBPRGKRZSA-N -1 0 323.349 -0.326 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC001118301861 829065382 /nfs/dbraw/zinc/06/53/82/829065382.db2.gz VNZMHRIHVZOJMJ-QWRGUYRKSA-N -1 0 313.354 -0.945 20 0 DBADRM CNC(=O)C1CCC(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC001118325116 829069139 /nfs/dbraw/zinc/06/91/39/829069139.db2.gz ASIQFDZCMYKCMZ-XNWIYYODSA-N -1 0 313.354 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC001118359464 829074949 /nfs/dbraw/zinc/07/49/49/829074949.db2.gz NQJGTCPFVWARJF-UWVGGRQHSA-N -1 0 301.343 -0.898 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC001118360370 829075975 /nfs/dbraw/zinc/07/59/75/829075975.db2.gz ZBHPAASYLNKGQS-JMJZKYOTSA-N -1 0 315.370 -0.654 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC001118360369 829076024 /nfs/dbraw/zinc/07/60/24/829076024.db2.gz ZBHPAASYLNKGQS-IEBDPFPHSA-N -1 0 315.370 -0.654 20 0 DBADRM CCN1C[C@H](CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)CC1=O ZINC001118365250 829076881 /nfs/dbraw/zinc/07/68/81/829076881.db2.gz WMGOXIFRBPLKST-MNOVXSKESA-N -1 0 313.354 -0.945 20 0 DBADRM CC(C)(O)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001118481310 829090238 /nfs/dbraw/zinc/09/02/38/829090238.db2.gz ZDFNGKXAPXAJJP-UHFFFAOYSA-N -1 0 312.326 -0.472 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCCNC(=O)C1CC1 ZINC001118481127 829090298 /nfs/dbraw/zinc/09/02/98/829090298.db2.gz WKJRSWUNHDDRCC-UHFFFAOYSA-N -1 0 320.305 -0.639 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)[C@@](C)(OC)C(=O)[O-])CC2 ZINC001118512031 829096937 /nfs/dbraw/zinc/09/69/37/829096937.db2.gz DSPOHVXYNBCGNK-ISVAXAHUSA-N -1 0 312.326 -0.655 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001118752520 829129374 /nfs/dbraw/zinc/12/93/74/829129374.db2.gz MWKYOQIWCNNBKB-RNFRBKRXSA-N -1 0 300.233 -0.497 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2cccnn2)CC[C@@H]1C(=O)[O-] ZINC001118921129 829153615 /nfs/dbraw/zinc/15/36/15/829153615.db2.gz KVEPQSUATYUZRI-KOLCDFICSA-N -1 0 306.322 -0.338 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2cccnn2)CC[C@H]1C(=O)[O-] ZINC001118921130 829153727 /nfs/dbraw/zinc/15/37/27/829153727.db2.gz KVEPQSUATYUZRI-MWLCHTKSSA-N -1 0 306.322 -0.338 20 0 DBADRM COC[C@H](NC(=O)/C=C/c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC001118974294 829200032 /nfs/dbraw/zinc/20/00/32/829200032.db2.gz ZVKJRRWKOKDHNF-SGRBOOSSSA-N -1 0 317.319 -0.088 20 0 DBADRM CN1CCC[C@H](NC(=O)C(=O)[N-]OCc2ccccc2)C1=O ZINC001119135249 829224753 /nfs/dbraw/zinc/22/47/53/829224753.db2.gz HXHZDSLZWGPHDF-LBPRGKRZSA-N -1 0 305.334 -0.029 20 0 DBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccccc1F ZINC001173845702 833379793 /nfs/dbraw/zinc/37/97/93/833379793.db2.gz JFQRMPPNBYRUDT-UHFFFAOYSA-N -1 0 315.286 -0.163 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001119193764 829234300 /nfs/dbraw/zinc/23/43/00/829234300.db2.gz IDPSOAJHKUPMEZ-CSYMLDBXSA-N -1 0 300.355 -0.001 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC001119276282 829245278 /nfs/dbraw/zinc/24/52/78/829245278.db2.gz ZZXYUVWJTQQMNG-RYUDHWBXSA-N -1 0 300.355 -0.141 20 0 DBADRM O=c1cc(CN2CCO[C@H](Cn3ccnn3)C2)nc2cc[n-]n21 ZINC001119313091 829247833 /nfs/dbraw/zinc/24/78/33/829247833.db2.gz QKUVLWUXFPTYBL-LBPRGKRZSA-N -1 0 315.337 -0.485 20 0 DBADRM C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001119390153 829256615 /nfs/dbraw/zinc/25/66/15/829256615.db2.gz SWAZFUTVZDRQLL-UTUOFQBUSA-N -1 0 311.382 -0.186 20 0 DBADRM CCCSCC(=O)[N-]S(=O)(=O)N(C)CC(=O)OCC ZINC001119507106 829268858 /nfs/dbraw/zinc/26/88/58/829268858.db2.gz XKRVYKNNFKXTAV-UHFFFAOYSA-N -1 0 312.413 -0.015 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001119523817 829270813 /nfs/dbraw/zinc/27/08/13/829270813.db2.gz UDPMNUHMUYOULS-RNFRBKRXSA-N -1 0 312.244 -0.088 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)/C=C\CN1CCOCC1)C2 ZINC001119537243 829272652 /nfs/dbraw/zinc/27/26/52/829272652.db2.gz LMFUFQSMDIZHIL-LBIVZQTLSA-N -1 0 310.350 -0.566 20 0 DBADRM CN1CCCn2nc(C(=O)N[C@@H]3SC(=O)[N-]C3=O)cc2C1 ZINC001175095164 833387488 /nfs/dbraw/zinc/38/74/88/833387488.db2.gz QYWAUHUETODBED-LLVKDONJSA-N -1 0 309.351 -0.243 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1cccc(N(C)C)c1 ZINC001119675289 829288721 /nfs/dbraw/zinc/28/87/21/829288721.db2.gz VGDAYPBEVMCWSN-UHFFFAOYSA-N -1 0 308.338 -0.837 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC(OCC2CC2)CC1 ZINC001119847719 829312536 /nfs/dbraw/zinc/31/25/36/829312536.db2.gz DHZSJGIBIBJTRW-UHFFFAOYSA-N -1 0 313.354 -0.802 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCC1CC2(C1)OCCO2 ZINC001119846920 829313375 /nfs/dbraw/zinc/31/33/75/829313375.db2.gz HIJCZCLRNSEFQC-UHFFFAOYSA-N -1 0 302.327 -0.660 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC(Cc2ccccc2C)C1 ZINC001119924920 829323731 /nfs/dbraw/zinc/32/37/31/829323731.db2.gz HMVLQROYFXEQKS-UHFFFAOYSA-N -1 0 319.361 -0.210 20 0 DBADRM CCCO[C@@H]1CCCN(C(=O)C(=O)NCC(=O)[N-]OC)CC1 ZINC001119925670 829324087 /nfs/dbraw/zinc/32/40/87/829324087.db2.gz OGUBKPSQRBFEJR-LLVKDONJSA-N -1 0 315.370 -0.412 20 0 DBADRM COC[C@@H]1CCCCN(C(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001119925515 829324490 /nfs/dbraw/zinc/32/44/90/829324490.db2.gz MECWZBUEQXOQEF-SNVBAGLBSA-N -1 0 301.343 -0.945 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)[C@@H]1CC[C@H](SC)C1 ZINC001119926392 829325098 /nfs/dbraw/zinc/32/50/98/829325098.db2.gz WWAQMOHSGFBQSD-BDAKNGLRSA-N -1 0 303.384 -0.477 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1C[C@H](C)OC2(CCCC2)C1 ZINC001120284007 829346904 /nfs/dbraw/zinc/34/69/04/829346904.db2.gz CUWZCDHTWHKEDE-JTQLQIEISA-N -1 0 310.358 -0.111 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@@H]2CSC[C@H]2C1 ZINC001120301809 829348972 /nfs/dbraw/zinc/34/89/72/829348972.db2.gz UQDVCGJLFZKGMM-NXEZZACHSA-N -1 0 312.399 -0.070 20 0 DBADRM NC(=O)c1nc(Cl)c(N)nc1Nc1cnn(CC(=O)[O-])c1 ZINC001176269433 833402667 /nfs/dbraw/zinc/40/26/67/833402667.db2.gz LGMJLMFAVRZFPK-UHFFFAOYSA-N -1 0 311.689 -0.164 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ncc(F)cn1 ZINC001120929057 829411571 /nfs/dbraw/zinc/41/15/71/829411571.db2.gz UKOXRVYEOPRYKT-LURJTMIESA-N -1 0 323.288 -0.216 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ncc(F)cn1 ZINC001120929059 829411874 /nfs/dbraw/zinc/41/18/74/829411874.db2.gz UKOXRVYEOPRYKT-ZCFIWIBFSA-N -1 0 323.288 -0.216 20 0 DBADRM CCN1CCc2ccc(NC(=O)C(=O)NCC(=O)[N-]OC)cc21 ZINC001120992621 829415668 /nfs/dbraw/zinc/41/56/68/829415668.db2.gz GVQOGLIGFVHYBP-UHFFFAOYSA-N -1 0 320.349 -0.199 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)Nc2cc(C)ncn2)c1[O-] ZINC001121455445 829484188 /nfs/dbraw/zinc/48/41/88/829484188.db2.gz QAEIBZXGJJTNKN-SECBINFHSA-N -1 0 306.326 -0.275 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)NCCO[C@H]2CC2(F)F)CC1 ZINC001121836428 829518166 /nfs/dbraw/zinc/51/81/66/829518166.db2.gz OOHNCKUHVQVJHT-QMMMGPOBSA-N -1 0 321.280 -0.651 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)CC1 ZINC001121917796 829528139 /nfs/dbraw/zinc/52/81/39/829528139.db2.gz OODPOALPKMKLPV-NGDQXYMTSA-N -1 0 323.349 -0.652 20 0 DBADRM COC[C@@H](CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C(C)C ZINC001121922081 829529298 /nfs/dbraw/zinc/52/92/98/829529298.db2.gz WWMDBSBRCMXIDD-LLVKDONJSA-N -1 0 315.370 -0.157 20 0 DBADRM O=C(Cc1nnn[n-]1)Nc1ncnn2c(Br)ccc12 ZINC001176837990 833421573 /nfs/dbraw/zinc/42/15/73/833421573.db2.gz OHIWRZSPZQCGMA-UHFFFAOYSA-N -1 0 323.114 -0.392 20 0 DBADRM CCOC(=O)c1cc2n(n1)CCCN(C(=O)Cc1nnn[n-]1)C2 ZINC001176839851 833422179 /nfs/dbraw/zinc/42/21/79/833422179.db2.gz FJWFFWFZHRWILZ-UHFFFAOYSA-N -1 0 319.325 -0.452 20 0 DBADRM COc1cccnc1N1CCN(C(=O)Cc2nnn[n-]2)CC1 ZINC001176840333 833422929 /nfs/dbraw/zinc/42/29/29/833422929.db2.gz INQSZOATTUZBPW-UHFFFAOYSA-N -1 0 303.326 -0.505 20 0 DBADRM CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)Cc1nnn[n-]1 ZINC001176841281 833422952 /nfs/dbraw/zinc/42/29/52/833422952.db2.gz VNBCESBKTDEELS-LLVKDONJSA-N -1 0 305.298 -0.846 20 0 DBADRM CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)Cc1nnn[n-]1 ZINC001176840851 833423099 /nfs/dbraw/zinc/42/30/99/833423099.db2.gz OEHLVQNSQWMKOG-NSHDSACASA-N -1 0 305.298 -0.846 20 0 DBADRM Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(=O)Cc3nnn[n-]3)O2)n1 ZINC001176840309 833423109 /nfs/dbraw/zinc/42/31/09/833423109.db2.gz PDBVOXMMTSXFHN-BBBLOLIVSA-N -1 0 319.325 -0.045 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNCc2nnc(C3CC3)n2C)c1[O-] ZINC001125728100 829875264 /nfs/dbraw/zinc/87/52/64/829875264.db2.gz AAMNJRORBHKTCR-UHFFFAOYSA-N -1 0 319.369 -0.051 20 0 DBADRM NC(=O)N1CCN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])CC1 ZINC001180172435 833571606 /nfs/dbraw/zinc/57/16/06/833571606.db2.gz XPTFBRDSJGOZIL-UHFFFAOYSA-N -1 0 301.196 -0.436 20 0 DBADRM CN1CCO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)[O-])C1 ZINC001180176404 833571711 /nfs/dbraw/zinc/57/17/11/833571711.db2.gz ZRVVKAMAHLGDIS-LURJTMIESA-N -1 0 302.224 -0.212 20 0 DBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)NC1(CO)CCOCC1 ZINC001180176014 833571833 /nfs/dbraw/zinc/57/18/33/833571833.db2.gz HTYYHTMMYWVJGK-UHFFFAOYSA-N -1 0 303.208 -0.001 20 0 DBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001180176114 833571868 /nfs/dbraw/zinc/57/18/68/833571868.db2.gz MLVZSOUSRXGSCL-BYPYZUCNSA-N -1 0 307.221 -0.355 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])C1 ZINC001180174470 833571899 /nfs/dbraw/zinc/57/18/99/833571899.db2.gz QDGKIIUUHFCQDP-UHFFFAOYSA-N -1 0 322.236 -0.898 20 0 DBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001180172308 833571913 /nfs/dbraw/zinc/57/19/13/833571913.db2.gz SCXCRKLQHGLIGS-WDSKDSINSA-N -1 0 303.208 -0.457 20 0 DBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)NC1CN(C2COC2)C1 ZINC001180180839 833572116 /nfs/dbraw/zinc/57/21/16/833572116.db2.gz UOQPGCBZDNPPQD-UHFFFAOYSA-N -1 0 300.208 -0.459 20 0 DBADRM O=C(NCCNCc1nc(C2CC2)no1)c1n[nH]c(=O)[n-]c1=O ZINC001130862666 830400195 /nfs/dbraw/zinc/40/01/95/830400195.db2.gz DEBIFQTUOFEDMA-UHFFFAOYSA-N -1 0 321.297 -0.937 20 0 DBADRM CCc1nnc([C@H](C)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)[nH]1 ZINC001130865352 830402551 /nfs/dbraw/zinc/40/25/51/830402551.db2.gz VRJVZUSWUOEPEQ-LURJTMIESA-N -1 0 322.329 -0.956 20 0 DBADRM CNC(=O)CC(=O)N[C@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001132006292 830575083 /nfs/dbraw/zinc/57/50/83/830575083.db2.gz IPIJSBFNVKBVCN-BDAKNGLRSA-N -1 0 310.358 -0.885 20 0 DBADRM CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)NCS(=O)(=O)[O-] ZINC001181860743 833646802 /nfs/dbraw/zinc/64/68/02/833646802.db2.gz AHMLQPBUPYFIAW-ZETCQYMHSA-N -1 0 322.339 -0.126 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C[C@H](C)NCc2nnn(C)n2)c1[O-] ZINC001134100317 830888986 /nfs/dbraw/zinc/88/89/86/830888986.db2.gz OOIISUFPNCVGSO-YUMQZZPRSA-N -1 0 322.373 -0.366 20 0 DBADRM O=C(NCCNCc1ncccn1)c1c[n-]n2c1nccc2=O ZINC001134938990 830992995 /nfs/dbraw/zinc/99/29/95/830992995.db2.gz MMRIBVABULPCMQ-UHFFFAOYSA-N -1 0 313.321 -0.668 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)C1(CO)COC1 ZINC001184047563 833746573 /nfs/dbraw/zinc/74/65/73/833746573.db2.gz ONWFKLXUFRADSV-UHFFFAOYSA-N -1 0 312.303 -0.934 20 0 DBADRM O=C(CCc1nnn[n-]1)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC001136198186 831160543 /nfs/dbraw/zinc/16/05/43/831160543.db2.gz IWRZJJMOEKKZPZ-UHFFFAOYSA-N -1 0 315.337 -0.293 20 0 DBADRM CC(=O)NCCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001136164936 831160631 /nfs/dbraw/zinc/16/06/31/831160631.db2.gz KBCLQMJETBXRRE-UHFFFAOYSA-N -1 0 303.326 -0.669 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)c1c[n-]ncc1=O ZINC001136232195 831160718 /nfs/dbraw/zinc/16/07/18/831160718.db2.gz ZURNQVUJVRWWGY-UHFFFAOYSA-N -1 0 302.356 -0.416 20 0 DBADRM O=C(NCCNS(=O)(=O)c1ccccc1)c1c[n-]ncc1=O ZINC001136488747 831162828 /nfs/dbraw/zinc/16/28/28/831162828.db2.gz UOHXVXSRFGOWQM-UHFFFAOYSA-N -1 0 322.346 -0.110 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001136655872 831164908 /nfs/dbraw/zinc/16/49/08/831164908.db2.gz LJOHADYRFPXVKG-GDRUQYFBSA-N -1 0 310.339 -0.854 20 0 DBADRM C[C@@]1(C(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)CCNC1=O ZINC001137940884 831172363 /nfs/dbraw/zinc/17/23/63/831172363.db2.gz QFEOESIIPWOZIO-GFCCVEGCSA-N -1 0 313.335 -0.496 20 0 DBADRM CNC(=O)CN1CCO[C@H]2CN(Cc3ncccc3O)C[C@H]21 ZINC001138392264 831175837 /nfs/dbraw/zinc/17/58/37/831175837.db2.gz DHEOJSDUGXEXQF-OCCSQVGLSA-N -1 0 306.366 -0.582 20 0 DBADRM CN1C[C@H](C(=O)[N-]OCCO)N(C(=O)OC(C)(C)C)CC1=O ZINC001138490104 831176687 /nfs/dbraw/zinc/17/66/87/831176687.db2.gz CSJHYULPOKTZFD-SECBINFHSA-N -1 0 317.342 -0.896 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001138652717 831177221 /nfs/dbraw/zinc/17/72/21/831177221.db2.gz JITYAANPWJMEFE-SECBINFHSA-N -1 0 306.326 -0.555 20 0 DBADRM COC(=O)[C@H]1C(=O)NCCN1Cc1ccc(OCC(=O)[O-])cc1 ZINC001138929817 831178195 /nfs/dbraw/zinc/17/81/95/831178195.db2.gz QOXOBOKTJADSOP-CYBMUJFWSA-N -1 0 322.317 -0.377 20 0 DBADRM CC(=O)N1CC(=O)NC[C@]12CCN(Cc1ccc(C(=O)[O-])o1)C2 ZINC001140945892 831189002 /nfs/dbraw/zinc/18/90/02/831189002.db2.gz LGJDMOXUTCFUQG-HNNXBMFYSA-N -1 0 321.333 -0.099 20 0 DBADRM Cc1[nH][nH]c(=O)c1NC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 ZINC001141577983 831193320 /nfs/dbraw/zinc/19/33/20/831193320.db2.gz AKEYBKAHBMIJOQ-QMMMGPOBSA-N -1 0 323.284 -0.313 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cc2cscn2)C(=O)N1S(=O)(=O)[O-] ZINC001142044917 831199351 /nfs/dbraw/zinc/19/93/51/831199351.db2.gz GVVPBYWSFYPKHW-XNCJUZBTSA-N -1 0 305.337 -0.796 20 0 DBADRM COc1ncc(C=CC(=O)NCc2n[nH]c(=O)[n-]2)c(OC)n1 ZINC001142453953 831213023 /nfs/dbraw/zinc/21/30/23/831213023.db2.gz SOCFQOKIGDPIOB-ONEGZZNKSA-N -1 0 306.282 -0.353 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001143360873 831236230 /nfs/dbraw/zinc/23/62/30/831236230.db2.gz LVGIIYMZOWASAA-UHFFFAOYSA-N -1 0 318.293 -0.792 20 0 DBADRM COc1ccc(C[C@@H](C)NC(=O)C(=O)[O-])cc1S(N)(=O)=O ZINC001143422593 831236761 /nfs/dbraw/zinc/23/67/61/831236761.db2.gz JWGCOEUAPCMPGO-SSDOTTSWSA-N -1 0 316.335 -0.526 20 0 DBADRM Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)C(=O)[O-])C[C@H]21 ZINC001143419342 831237128 /nfs/dbraw/zinc/23/71/28/831237128.db2.gz KJHSLDIBCGAPQH-NEPJUHHUSA-N -1 0 309.322 -0.212 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C(=O)[O-])CC12COC2 ZINC001143415957 831237155 /nfs/dbraw/zinc/23/71/55/831237155.db2.gz VYAYBCONSONXCJ-MRVPVSSYSA-N -1 0 300.311 -0.177 20 0 DBADRM Cn1cccc1C(=O)N[C@@H]1CN(C(=O)C(=O)[O-])[C@@H]2COC[C@H]12 ZINC001143418928 831237182 /nfs/dbraw/zinc/23/71/82/831237182.db2.gz HFHKVSINVCNEMF-FXPVBKGRSA-N -1 0 307.306 -0.935 20 0 DBADRM O=C([O-])C(=O)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001143419383 831237273 /nfs/dbraw/zinc/23/72/73/831237273.db2.gz KRNVKYTVDFPFSM-JTQLQIEISA-N -1 0 306.322 -0.452 20 0 DBADRM Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)C(=O)[O-])C1 ZINC001143420104 831237288 /nfs/dbraw/zinc/23/72/88/831237288.db2.gz ROKWGTFVNXTPOW-HNNXBMFYSA-N -1 0 320.349 -0.064 20 0 DBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](O)CO)nc1C ZINC001184976229 833777028 /nfs/dbraw/zinc/77/70/28/833777028.db2.gz GYMUNNBSMSCHKV-SSDOTTSWSA-N -1 0 324.380 -0.740 20 0 DBADRM O=[P@@]([O-])(O)CCNS(=O)(=O)c1cnc(Cl)nc1 ZINC001185062977 833779477 /nfs/dbraw/zinc/77/94/77/833779477.db2.gz HETNWPPZQCSKIW-UHFFFAOYSA-N -1 0 301.648 -0.414 20 0 DBADRM C[C@H]1[C@H](NC(=O)COC2CCCC2)C(=O)N1S(=O)(=O)[O-] ZINC001146768710 831295990 /nfs/dbraw/zinc/29/59/90/831295990.db2.gz DFGYUKJEMDNPKY-XVKPBYJWSA-N -1 0 306.340 -0.536 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1ccn[nH]1 ZINC001146842591 831300363 /nfs/dbraw/zinc/30/03/63/831300363.db2.gz KGVFUFJDYPDMPR-JTQLQIEISA-N -1 0 320.309 -0.935 20 0 DBADRM COC(OC)C(=O)N1CCN(C(=O)c2cc(=O)[nH]cn2)CC1 ZINC001146855634 831301645 /nfs/dbraw/zinc/30/16/45/831301645.db2.gz LLYMNLRSPFMSQS-UHFFFAOYSA-N -1 0 310.310 -0.915 20 0 DBADRM COC[C@H](C)C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001147211943 831349492 /nfs/dbraw/zinc/34/94/92/831349492.db2.gz KDLWMDAAXGGGMN-JTQLQIEISA-N -1 0 309.370 -0.173 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)c2cc3n(n2)CCNC3=O)[n-]1 ZINC001147536885 831380433 /nfs/dbraw/zinc/38/04/33/831380433.db2.gz NDQXMIHTWGYTPH-UHFFFAOYSA-N -1 0 318.293 -0.221 20 0 DBADRM N=C(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)SCCS(=O)(=O)[O-] ZINC001147701282 831401236 /nfs/dbraw/zinc/40/12/36/831401236.db2.gz WTVSHPKZSIAKEH-UHFFFAOYSA-N -1 0 322.324 -0.827 20 0 DBADRM Cn1cnnc1CNCCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001147704831 831401926 /nfs/dbraw/zinc/40/19/26/831401926.db2.gz ADNJUOOELLTIHY-UHFFFAOYSA-N -1 0 317.309 -0.424 20 0 DBADRM Cc1ccn(CC(=O)NC(=N)SCCS(=O)(=O)[O-])n1 ZINC001177065324 833453562 /nfs/dbraw/zinc/45/35/62/833453562.db2.gz VRNHIGWIJNNPJP-UHFFFAOYSA-N -1 0 306.369 -0.137 20 0 DBADRM NS(=O)(=O)c1cnn(CC(=O)[N-]Oc2ccccc2F)c1 ZINC001177109713 833455910 /nfs/dbraw/zinc/45/59/10/833455910.db2.gz NSDCWDNRXWICCI-UHFFFAOYSA-N -1 0 314.298 -0.220 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001148033061 831425256 /nfs/dbraw/zinc/42/52/56/831425256.db2.gz UXTIOCJGUBVORX-VIFPVBQESA-N -1 0 322.369 -0.944 20 0 DBADRM Cn1ccc(C(=O)N2CCN3C(=O)COC[C@@H]3C2)c1CC(=O)[O-] ZINC001177365123 833465130 /nfs/dbraw/zinc/46/51/30/833465130.db2.gz PFOZKTSLXXAPBJ-JTQLQIEISA-N -1 0 321.333 -0.665 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cc(O)cc(O)c2)C(=O)N1S(=O)(=O)[O-] ZINC001148521155 831460272 /nfs/dbraw/zinc/46/02/72/831460272.db2.gz REEBEKDKEJKRCT-CDUCUWFYSA-N -1 0 316.291 -0.770 20 0 DBADRM Cn1ccc(C(=O)N[C@H]2COCCC23OCCO3)c1CC(=O)[O-] ZINC001177371368 833465202 /nfs/dbraw/zinc/46/52/02/833465202.db2.gz YXMKGEQRFGHZLO-LBPRGKRZSA-N -1 0 324.333 -0.086 20 0 DBADRM CC(C)(CNC(=O)c1cc(S(=O)(=O)[O-])ccc1O)C(N)=O ZINC001148927856 831479178 /nfs/dbraw/zinc/47/91/78/831479178.db2.gz VENDTXKQWGQQAI-UHFFFAOYSA-N -1 0 316.335 -0.120 20 0 DBADRM CCOCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001149100533 831494286 /nfs/dbraw/zinc/49/42/86/831494286.db2.gz XMKXFAWBUOWFNT-SNVBAGLBSA-N -1 0 313.358 -0.746 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cnn3ccccc23)C(=O)N1S(=O)(=O)[O-] ZINC001149254371 831510857 /nfs/dbraw/zinc/51/08/57/831510857.db2.gz OHAUTUKXPOWALW-XVKPBYJWSA-N -1 0 324.318 -0.534 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001149297593 831515860 /nfs/dbraw/zinc/51/58/60/831515860.db2.gz QHAMIJKNYPTELP-UHFFFAOYSA-N -1 0 300.282 -0.276 20 0 DBADRM Cc1cc2nnc(C(=O)NCC(=O)CCC(=O)[O-])c(C)n2n1 ZINC001149625784 831555261 /nfs/dbraw/zinc/55/52/61/831555261.db2.gz UDXHNDGEPPRJBE-UHFFFAOYSA-N -1 0 305.294 -0.095 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCN[C@H](c2cn[nH]c2)C1 ZINC001150606409 831634124 /nfs/dbraw/zinc/63/41/24/831634124.db2.gz CBHBDAFNHZYADN-NSHDSACASA-N -1 0 313.321 -0.468 20 0 DBADRM COC(=O)COCCNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001150824294 831649329 /nfs/dbraw/zinc/64/93/29/831649329.db2.gz SNPLYMJEROSVCT-UHFFFAOYSA-N -1 0 313.354 -0.319 20 0 DBADRM Cn1cnc(CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)n1 ZINC001151060966 831662248 /nfs/dbraw/zinc/66/22/48/831662248.db2.gz MRWFPUZYLIAMEP-UHFFFAOYSA-N -1 0 315.293 -0.675 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccc2nncn2c1 ZINC001151676986 831699248 /nfs/dbraw/zinc/69/92/48/831699248.db2.gz ZKSZZSCPEZKFFX-VIFPVBQESA-N -1 0 306.278 -0.135 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1cc[n+]([O-])cc1 ZINC001151741988 831707083 /nfs/dbraw/zinc/70/70/83/831707083.db2.gz BODVWVNRKVUUNY-SNVBAGLBSA-N -1 0 320.353 -0.216 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2nccc3cc[nH]c32)C(=O)N1S(=O)(=O)[O-] ZINC001152251430 831736249 /nfs/dbraw/zinc/73/62/49/831736249.db2.gz AEOKUALDMPSJNW-XPUUQOCRSA-N -1 0 324.318 -0.305 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001152733725 831770991 /nfs/dbraw/zinc/77/09/91/831770991.db2.gz IEUMYXAETNGVED-NXEZZACHSA-N -1 0 324.385 -0.637 20 0 DBADRM CCN(CC(=O)N(C)C)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001152782072 831775450 /nfs/dbraw/zinc/77/54/50/831775450.db2.gz MKFRECJKRVHDPD-SECBINFHSA-N -1 0 311.386 -0.048 20 0 DBADRM CO[C@H](C(=O)OC(C)(C)C)C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001153002359 831785759 /nfs/dbraw/zinc/78/57/59/831785759.db2.gz TZFSZXAKPNDCPK-BDAKNGLRSA-N -1 0 311.342 -0.128 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2c[nH]c3cnccc23)C(=O)N1S(=O)(=O)[O-] ZINC001153010208 831786775 /nfs/dbraw/zinc/78/67/75/831786775.db2.gz FUERSAJPBNWFDQ-WKEGUHRASA-N -1 0 324.318 -0.305 20 0 DBADRM COCCOCC(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1 ZINC001153032491 831788060 /nfs/dbraw/zinc/78/80/60/831788060.db2.gz DOVYYFHGRCBKOV-UHFFFAOYSA-N -1 0 304.324 -0.359 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CC=C[C@@H]1CO ZINC001153291203 831801134 /nfs/dbraw/zinc/80/11/34/831801134.db2.gz AFOJEQMMODWFCK-LLVKDONJSA-N -1 0 302.290 -0.361 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1cnc[nH]c1=O ZINC001153957102 831854304 /nfs/dbraw/zinc/85/43/04/831854304.db2.gz PTVWNSDOMGLBSS-MRVPVSSYSA-N -1 0 321.341 -0.354 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001154731409 831897693 /nfs/dbraw/zinc/89/76/93/831897693.db2.gz HYURDMBTXSMPBQ-SVDPJWKOSA-N -1 0 309.370 -0.271 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)NCCc1n[n-]c(=S)o1)CC2 ZINC001154906915 831906300 /nfs/dbraw/zinc/90/63/00/831906300.db2.gz IHAQJQZVMRFALD-ZETCQYMHSA-N -1 0 308.367 -0.049 20 0 DBADRM Cn1nc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)cc1C=O ZINC001155134164 831918767 /nfs/dbraw/zinc/91/87/67/831918767.db2.gz CUJGRHQKPBAKQZ-SECBINFHSA-N -1 0 303.326 -0.159 20 0 DBADRM O=C(C[C@@H]1CC(=O)NC1=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001155135019 831918817 /nfs/dbraw/zinc/91/88/17/831918817.db2.gz QCHZKVNCQIQOIG-BDAKNGLRSA-N -1 0 306.326 -0.966 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)c1ccc2c(n1)NC(=O)CO2 ZINC001155736389 831949406 /nfs/dbraw/zinc/94/94/06/831949406.db2.gz PNBPSZIGIGICEQ-UHFFFAOYSA-N -1 0 307.262 -0.424 20 0 DBADRM NC(=O)[C@H]1CCCN1c1cc(N[C@@H]2SC(=O)[N-]C2=O)ncn1 ZINC001155844566 831955456 /nfs/dbraw/zinc/95/54/56/831955456.db2.gz OTOOSDRSFVNHIM-KSBSHMNSSA-N -1 0 322.350 -0.348 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1ccncn1 ZINC001155941306 831960265 /nfs/dbraw/zinc/96/02/65/831960265.db2.gz VBEJOOAIZYJBNC-SECBINFHSA-N -1 0 305.342 -0.059 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NC[C@H]2CCC(=O)N2)nc1 ZINC001156153459 831972990 /nfs/dbraw/zinc/97/29/90/831972990.db2.gz IXINQRLHQBQNRZ-SECBINFHSA-N -1 0 312.351 -0.403 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(-n2cnc(CN)cc2=N)nc1 ZINC001156628505 831993190 /nfs/dbraw/zinc/99/31/90/831993190.db2.gz WKWNPMCWJLNWQV-UHFFFAOYSA-N -1 0 322.350 -0.970 20 0 DBADRM CCOC(=O)[C@H]1CCc2nnc(N[C@@H]3CO[N-]C3=O)cc2C1 ZINC001156696485 831995010 /nfs/dbraw/zinc/99/50/10/831995010.db2.gz GTQRHYAVYZRONM-GZMMTYOYSA-N -1 0 306.322 -0.014 20 0 DBADRM C[C@H]1[C@H](Nc2ncnc3ncccc32)C(=O)N1S(=O)(=O)[O-] ZINC001157067597 832018453 /nfs/dbraw/zinc/01/84/53/832018453.db2.gz JDUYUVFVWQHNMT-XPUUQOCRSA-N -1 0 309.307 -0.161 20 0 DBADRM C[C@H]1[C@H](Nc2cncc(-n3ccnc3)n2)C(=O)N1S(=O)(=O)[O-] ZINC001157071356 832019060 /nfs/dbraw/zinc/01/90/60/832019060.db2.gz QWVYZSLRDLLQKX-XVKPBYJWSA-N -1 0 324.322 -0.524 20 0 DBADRM COc1ncc(Cl)c(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157072638 832019119 /nfs/dbraw/zinc/01/91/19/832019119.db2.gz JIDLYUXJDWIORV-NJGYIYPDSA-N -1 0 322.730 -0.047 20 0 DBADRM CC(=O)Nc1cccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157070972 832019420 /nfs/dbraw/zinc/01/94/20/832019420.db2.gz MBZDMAJIVQDWMJ-WKEGUHRASA-N -1 0 314.323 -0.146 20 0 DBADRM CCC(CO)(CO)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cn1 ZINC001157199707 832026775 /nfs/dbraw/zinc/02/67/75/832026775.db2.gz VJOHVZSJPDSFNB-UHFFFAOYSA-N -1 0 317.367 -0.548 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1c1nccnc1CC(=O)[O-] ZINC001157420414 832041666 /nfs/dbraw/zinc/04/16/66/832041666.db2.gz PVJYJEFNMJAVDZ-JTQLQIEISA-N -1 0 322.321 -0.638 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC001157837270 832065958 /nfs/dbraw/zinc/06/59/58/832065958.db2.gz XFMZTECOBRKBKM-CQSZACIVSA-N -1 0 320.305 -0.851 20 0 DBADRM COc1cc(C(=O)NCCC[NH2+]Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001158188258 832097554 /nfs/dbraw/zinc/09/75/54/832097554.db2.gz CGFAVMIHWWRGLM-UHFFFAOYSA-N -1 0 307.314 -0.781 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NCC2OCCO2)nc1 ZINC001158203822 832099662 /nfs/dbraw/zinc/09/96/62/832099662.db2.gz QOASFRFHQWTLGA-UHFFFAOYSA-N -1 0 301.324 -0.309 20 0 DBADRM CC[C@]1(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCNC1=O ZINC001269034348 832115429 /nfs/dbraw/zinc/11/54/29/832115429.db2.gz VSQBRGMEUIAKTR-XPTSAGLGSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)Nn3ccnn3)cc2=O)n1 ZINC001158873151 832142758 /nfs/dbraw/zinc/14/27/58/832142758.db2.gz PLNYRTDFTKNPMN-UHFFFAOYSA-N -1 0 300.282 -0.452 20 0 DBADRM NC(=O)[C@H](NC(=O)c1c[n-]n2c1nccc2=O)c1ccccn1 ZINC001159195429 832163461 /nfs/dbraw/zinc/16/34/61/832163461.db2.gz RDRAOFXWSIONDT-LLVKDONJSA-N -1 0 312.289 -0.626 20 0 DBADRM COC[C@H]1CCCCN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653659 833803774 /nfs/dbraw/zinc/80/37/74/833803774.db2.gz HLFBKXANIZGCIR-SECBINFHSA-N -1 0 322.302 -0.437 20 0 DBADRM CN(CC(=O)N1CC[C@@H]2CCO[C@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654950 833803828 /nfs/dbraw/zinc/80/38/28/833803828.db2.gz UANSYJWVPHHZTR-BDAKNGLRSA-N -1 0 320.286 -0.827 20 0 DBADRM CCc1nccnc1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654579 833803896 /nfs/dbraw/zinc/80/38/96/833803896.db2.gz SIVQSWXAFTWLOI-UHFFFAOYSA-N -1 0 316.258 -0.474 20 0 DBADRM C[C@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CCCO1 ZINC001185653833 833803906 /nfs/dbraw/zinc/80/39/06/833803906.db2.gz JWBGUZBLMAEQHN-QMMMGPOBSA-N -1 0 308.275 -0.827 20 0 DBADRM COc1cc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])no1 ZINC001185652946 833804212 /nfs/dbraw/zinc/80/42/12/833804212.db2.gz AYQGNKGIWINMMN-UHFFFAOYSA-N -1 0 307.203 -0.829 20 0 DBADRM C[C@@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1cnccn1 ZINC001185662391 833804860 /nfs/dbraw/zinc/80/48/60/833804860.db2.gz BKYCWWDEXPUXTE-SSDOTTSWSA-N -1 0 316.258 -0.797 20 0 DBADRM CN(CC(=O)N[C@]1(C)CCCOC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185667945 833805627 /nfs/dbraw/zinc/80/56/27/833805627.db2.gz RWWGDPHLTIPHGR-SNVBAGLBSA-N -1 0 308.275 -0.779 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CCO1 ZINC001185666409 833805733 /nfs/dbraw/zinc/80/57/33/833805733.db2.gz CGLWOUYXUFLLNE-HTQZYQBOSA-N -1 0 308.275 -0.781 20 0 DBADRM CC(=O)NC[C@@H](C(=O)NCS(=O)(=O)[O-])c1ccccc1 ZINC001185962267 833819254 /nfs/dbraw/zinc/81/92/54/833819254.db2.gz FCFFXZIOSGBALR-LLVKDONJSA-N -1 0 300.336 -0.132 20 0 DBADRM CN1C[C@@H]2CN(C(=O)c3cccc4c3NC(=O)C4=O)C[C@H](C1)O2 ZINC001269272298 832406125 /nfs/dbraw/zinc/40/61/25/832406125.db2.gz RUGLJUGXMQSVHJ-AOOOYVTPSA-N -1 0 315.329 -0.024 20 0 DBADRM CNC(=O)[C@H]1CC12CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001269277919 832407393 /nfs/dbraw/zinc/40/73/93/832407393.db2.gz ZACASPLQPYQFMM-MRVPVSSYSA-N -1 0 310.383 -0.664 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC2(CCO)COC2)ccc1F ZINC001186202081 833837700 /nfs/dbraw/zinc/83/77/00/833837700.db2.gz UJTVTDDRVFEAHX-UHFFFAOYSA-N -1 0 319.310 -0.046 20 0 DBADRM CC(=O)[C@@H](C)N1CC[C@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001269576774 832451659 /nfs/dbraw/zinc/45/16/59/832451659.db2.gz VVDCXOAQBAFITP-YMTOWFKASA-N -1 0 320.353 -0.687 20 0 DBADRM CCOCCN1CC[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269576806 832451777 /nfs/dbraw/zinc/45/17/77/832451777.db2.gz WWOMVSLRSCLPDM-CQSZACIVSA-N -1 0 322.369 -0.770 20 0 DBADRM CC(C)CN1CC[C@@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001269578213 832451810 /nfs/dbraw/zinc/45/18/10/832451810.db2.gz WQILFXLSEHCWCG-AWEZNQCLSA-N -1 0 306.370 -0.008 20 0 DBADRM CCCCN1CC[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269576714 832451994 /nfs/dbraw/zinc/45/19/94/832451994.db2.gz UCWYDCGRDHVXOR-AWEZNQCLSA-N -1 0 306.370 -0.007 20 0 DBADRM CCOCCN1CC[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269576805 832452103 /nfs/dbraw/zinc/45/21/03/832452103.db2.gz WWOMVSLRSCLPDM-AWEZNQCLSA-N -1 0 322.369 -0.770 20 0 DBADRM CN1c2ccccc2[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269577185 832452115 /nfs/dbraw/zinc/45/21/15/832452115.db2.gz GNIARVLOFWOASM-OAHLLOKOSA-N -1 0 312.333 -0.111 20 0 DBADRM COCCCN1CC[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269578101 832452132 /nfs/dbraw/zinc/45/21/32/832452132.db2.gz SBBVMCOJNODCCS-AWEZNQCLSA-N -1 0 322.369 -0.770 20 0 DBADRM COCCNC(=O)N1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001186532095 833856202 /nfs/dbraw/zinc/85/62/02/833856202.db2.gz NMVUETOLPWDRMN-UHFFFAOYSA-N -1 0 323.415 -0.372 20 0 DBADRM Cc1cc(CN2CCC23CN(C(=O)Cc2nnn[n-]2)C3)n(C)n1 ZINC001270183199 832510126 /nfs/dbraw/zinc/51/01/26/832510126.db2.gz SAHLCKIQJOQJOP-UHFFFAOYSA-N -1 0 316.369 -0.729 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CC2(CCN2Cc2cn[nH]c2)C1 ZINC001270299266 832520352 /nfs/dbraw/zinc/52/03/52/832520352.db2.gz GZBWACWDAXFEPC-UHFFFAOYSA-N -1 0 320.382 -0.828 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CC2(CCN2Cc2ccc[nH]2)C1 ZINC001270298800 832520600 /nfs/dbraw/zinc/52/06/00/832520600.db2.gz BCCAIGGSMUKGMB-UHFFFAOYSA-N -1 0 319.394 -0.223 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCC2(C[C@H]2C(=O)N2CC=CC2)CC1 ZINC001270789481 832578703 /nfs/dbraw/zinc/57/87/03/832578703.db2.gz REHOGTYBXZAWHC-NSHDSACASA-N -1 0 316.365 -0.231 20 0 DBADRM CN(C)C(=O)[C@H]1CCSC12CN(C(=O)Cc1nnn[n-]1)C2 ZINC001270789136 832578924 /nfs/dbraw/zinc/57/89/24/832578924.db2.gz MQCYKQHIKSMYFR-MRVPVSSYSA-N -1 0 310.383 -0.836 20 0 DBADRM CN(C)C(=O)[C@H]1CCN(C(=O)Cc2nnn[n-]2)Cc2ccnn21 ZINC001270789201 832579048 /nfs/dbraw/zinc/57/90/48/832579048.db2.gz OXUSEUNIPLEIQH-SNVBAGLBSA-N -1 0 318.341 -1.000 20 0 DBADRM CC(C)(C)NC(=O)[C@@]12C[C@@H]1CCN2C(=O)Cn1nn[n-]c1=S ZINC001270939121 832598518 /nfs/dbraw/zinc/59/85/18/832598518.db2.gz OJQICIAEORUDRL-ISVAXAHUSA-N -1 0 324.410 -0.133 20 0 DBADRM NC(=O)[C@H]1CCC[C@]12CCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270939445 832598663 /nfs/dbraw/zinc/59/86/63/832598663.db2.gz VYZHUQWMJNWUPN-PRHODGIISA-N -1 0 310.383 -0.534 20 0 DBADRM CN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)Cn1nn[n-]c1=S ZINC001270938855 832598718 /nfs/dbraw/zinc/59/87/18/832598718.db2.gz KJKPFHKYHTVZHP-YKDSUIRESA-N -1 0 324.410 -0.419 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NC12CC(C(=O)N3CC=CC3)(C1)C2 ZINC001270939590 832598762 /nfs/dbraw/zinc/59/87/62/832598762.db2.gz YNTSHUKYVXAJJO-UHFFFAOYSA-N -1 0 320.378 -0.601 20 0 DBADRM O=C(c1ccncc1[O-])N1CC2(C1)COCC(=O)N2C1COC1 ZINC001271403240 832664949 /nfs/dbraw/zinc/66/49/49/832664949.db2.gz VUUIIXWPDSGTLM-UHFFFAOYSA-N -1 0 319.317 -0.761 20 0 DBADRM CC[C@H](O)C(=O)N1CCc2onc(C(=O)[N-]c3nnco3)c2C1 ZINC001271852220 832708363 /nfs/dbraw/zinc/70/83/63/832708363.db2.gz XOCAZBQOIFZPEY-QMMMGPOBSA-N -1 0 321.293 -0.035 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1ccc(C(N)=O)cc1O ZINC001188395079 833982405 /nfs/dbraw/zinc/98/24/05/833982405.db2.gz NAMVHHYUWHFUPW-UHFFFAOYSA-N -1 0 302.308 -0.204 20 0 DBADRM C[C@H](F)C(=O)N1CCc2onc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001272007763 832730483 /nfs/dbraw/zinc/73/04/83/832730483.db2.gz ASUMGNOHEJYOFN-LURJTMIESA-N -1 0 323.288 -0.885 20 0 DBADRM COCCn1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC)n1 ZINC001187909582 833958573 /nfs/dbraw/zinc/95/85/73/833958573.db2.gz HLNNFVUSASEXSX-JTQLQIEISA-N -1 0 313.310 -0.334 20 0 DBADRM NC(=O)[C@@H]1COCCC12CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001272264210 832764311 /nfs/dbraw/zinc/76/43/11/832764311.db2.gz FUCPZWMCIPFCFL-ZETCQYMHSA-N -1 0 323.271 -0.985 20 0 DBADRM Cn1[n-]c(C(=O)N2CC[C@@]3(CCN(C4COC4)C3=O)C2)cc1=O ZINC001272355447 832775490 /nfs/dbraw/zinc/77/54/90/832775490.db2.gz GAZXFBXOZBRKBC-OAHLLOKOSA-N -1 0 320.349 -0.411 20 0 DBADRM CCN(CCNCc1nocc1C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001273726938 832957828 /nfs/dbraw/zinc/95/78/28/832957828.db2.gz MUTARPPPKDGZOH-UHFFFAOYSA-N -1 0 324.341 -0.376 20 0 DBADRM Cc1nn(CC(=O)N[C@@H]2CO[N-]C2=O)cc1Br ZINC001177018009 833448751 /nfs/dbraw/zinc/44/87/51/833448751.db2.gz KNEHUBSJGHWBOB-SSDOTTSWSA-N -1 0 303.116 -0.500 20 0 DBADRM Cn1ccc(C(=O)N2CC(=O)N(C3CC3)C(=O)C2)c1CC(=O)[O-] ZINC001177363907 833464429 /nfs/dbraw/zinc/46/44/29/833464429.db2.gz XJNZFBWAWUENRW-UHFFFAOYSA-N -1 0 319.317 -0.374 20 0 DBADRM N=C(NC(=O)Cc1ncc(F)cn1)SCCS(=O)(=O)[O-] ZINC001177404412 833466944 /nfs/dbraw/zinc/46/69/44/833466944.db2.gz GMBZMINIPKIUFF-UHFFFAOYSA-N -1 0 322.343 -0.170 20 0 DBADRM O=C(CCC(=O)N[C@H]1SC(=O)[N-]C1=O)Nc1nncs1 ZINC001177451213 833469737 /nfs/dbraw/zinc/46/97/37/833469737.db2.gz MTRKWIJJXBGMLG-ZETCQYMHSA-N -1 0 315.336 -0.318 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001177736483 833480412 /nfs/dbraw/zinc/48/04/12/833480412.db2.gz QIPKAONIDFXXTC-RITPCOANSA-N -1 0 311.289 -0.409 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CCc2ccc(=O)[nH]c2CC1 ZINC001177738720 833480405 /nfs/dbraw/zinc/48/04/05/833480405.db2.gz IAFLXNXIYCHMGG-UHFFFAOYSA-N -1 0 306.351 -0.310 20 0 DBADRM COc1ccc(C(=O)CNC(=O)Cn2nn[n-]c2=S)cc1 ZINC001177736098 833480460 /nfs/dbraw/zinc/48/04/60/833480460.db2.gz YYOZLNMTGGPXRY-UHFFFAOYSA-N -1 0 307.335 -0.031 20 0 DBADRM CCOC(=O)c1nc(NC(=O)Cn2nn[n-]c2=S)cn1C ZINC001177736210 833480577 /nfs/dbraw/zinc/48/05/77/833480577.db2.gz FIMRFRRXWMCPDN-UHFFFAOYSA-N -1 0 311.327 -0.489 20 0 DBADRM CCOC(=O)c1ncncc1NC(=O)Cn1nn[n-]c1=S ZINC001177736269 833480691 /nfs/dbraw/zinc/48/06/91/833480691.db2.gz HSWAOUOZOMDHRB-UHFFFAOYSA-N -1 0 309.311 -0.433 20 0 DBADRM COCCOc1ccc(CNC(=O)Cn2nn[n-]c2=S)cn1 ZINC001177742549 833481121 /nfs/dbraw/zinc/48/11/21/833481121.db2.gz GAJBHELHHMJXFN-UHFFFAOYSA-N -1 0 324.366 -0.302 20 0 DBADRM COC[C@@H]1CN(C(=O)Cn2nn[n-]c2=S)Cc2cn(C)nc21 ZINC001177739817 833481167 /nfs/dbraw/zinc/48/11/67/833481167.db2.gz WPSXAIRHMAICFU-VIFPVBQESA-N -1 0 323.382 -0.532 20 0 DBADRM CC(C)NC(=O)[C@@H](NC(=O)Cn1nn[n-]c1=S)C(C)C ZINC001177743407 833481206 /nfs/dbraw/zinc/48/12/06/833481206.db2.gz MGLCHRBVXGJSIN-VIFPVBQESA-N -1 0 300.388 -0.373 20 0 DBADRM CCOC(=O)/C=C(/NC(=O)Cn1nn[n-]c1=S)OCC ZINC001177744042 833481628 /nfs/dbraw/zinc/48/16/28/833481628.db2.gz SUBUETTYOHYNEZ-YVMONPNESA-N -1 0 301.328 -0.481 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NCc1ccc2c(c1)CC(=O)N2 ZINC001177744109 833481632 /nfs/dbraw/zinc/48/16/32/833481632.db2.gz UYNGGZZLGARHOA-UHFFFAOYSA-N -1 0 304.335 -0.227 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NC[C@H]1C(=O)Nc2ccccc21 ZINC001177746084 833481650 /nfs/dbraw/zinc/48/16/50/833481650.db2.gz PRTHSJKLCMXHRL-MRVPVSSYSA-N -1 0 304.335 -0.186 20 0 DBADRM O=C(CCNC(=O)Cn1nn[n-]c1=S)Nc1nccs1 ZINC001177744602 833481734 /nfs/dbraw/zinc/48/17/34/833481734.db2.gz ZKDBQPFJGXYUOB-UHFFFAOYSA-N -1 0 313.368 -0.437 20 0 DBADRM COC[C@@H](NC(=O)c1nnc2ccccc2n1)c1nnn[n-]1 ZINC001177827692 833483180 /nfs/dbraw/zinc/48/31/80/833483180.db2.gz HYZMOFJQJHULJO-SECBINFHSA-N -1 0 300.282 -0.345 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)Cc2nnc3c(=O)n(C)ccn23)c1[O-] ZINC001177865471 833484321 /nfs/dbraw/zinc/48/43/21/833484321.db2.gz BREZNYVMEVALGA-UHFFFAOYSA-N -1 0 317.309 -0.563 20 0 DBADRM O=C([O-])CN1CCCn2nc(C(=O)NC3CC(=O)C3)cc2C1=O ZINC001178371678 833504124 /nfs/dbraw/zinc/50/41/24/833504124.db2.gz MUOGEFKJABFFDX-UHFFFAOYSA-N -1 0 320.305 -0.725 20 0 DBADRM CC(=O)N1CCN(CC(=O)Nc2cc(=O)[n-]c(Cl)n2)CC1 ZINC001179027732 833534068 /nfs/dbraw/zinc/53/40/68/833534068.db2.gz UENHHUFZRJRCRS-UHFFFAOYSA-N -1 0 313.745 -0.062 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2C(=O)N[C@@H]1CO[N-]C1=O ZINC001179305214 833543063 /nfs/dbraw/zinc/54/30/63/833543063.db2.gz LXLSJGCOCOMODP-UTINFBMNSA-N -1 0 311.338 -0.355 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)NCCCC[P@](=O)([O-])O ZINC001180498288 833587028 /nfs/dbraw/zinc/58/70/28/833587028.db2.gz GCIRSSODYLHCIG-UHFFFAOYSA-N -1 0 322.298 -0.301 20 0 DBADRM NS(=O)(=O)C1(C(=O)[N-]OCCOc2ccccc2)CC1 ZINC001180648419 833596654 /nfs/dbraw/zinc/59/66/54/833596654.db2.gz GJCYKHVKSBSSFE-UHFFFAOYSA-N -1 0 300.336 -0.066 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CCCC[C@@H]2O)C(=O)N1S(=O)(=O)[O-] ZINC001181091493 833616093 /nfs/dbraw/zinc/61/60/93/833616093.db2.gz NGDSCBGJYKIRHW-KZVJFYERSA-N -1 0 306.340 -0.944 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC001181451270 833631532 /nfs/dbraw/zinc/63/15/32/833631532.db2.gz LDQLQKJSMIKUJL-NEPJUHHUSA-N -1 0 303.318 -0.276 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@H]2C[C@H]2C(F)(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001182321098 833669044 /nfs/dbraw/zinc/66/90/44/833669044.db2.gz LLUIWAKPELWUCX-AZGQCCRYSA-N -1 0 316.257 -0.297 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@@H]2C[C@@H]2C(F)(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001182321102 833669165 /nfs/dbraw/zinc/66/91/65/833669165.db2.gz LLUIWAKPELWUCX-FSIIMWSLSA-N -1 0 316.257 -0.297 20 0 DBADRM O=C(CCN1C(=O)Cc2ccccc2C1=O)NCc1nnn[n-]1 ZINC001183530564 833720183 /nfs/dbraw/zinc/72/01/83/833720183.db2.gz UKKSVERXZFHEAW-UHFFFAOYSA-N -1 0 314.305 -0.569 20 0 DBADRM O=C([O-])COc1ccc(OCC(=O)NCc2nnn[n-]2)cc1 ZINC001183910861 833741256 /nfs/dbraw/zinc/74/12/56/833741256.db2.gz ZLQQGXYENBLPAS-UHFFFAOYSA-N -1 0 307.266 -0.642 20 0 DBADRM CCOC(=O)[C@@H](C)C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001184226933 833753033 /nfs/dbraw/zinc/75/30/33/833753033.db2.gz ABKDPTHJOFBONC-LURJTMIESA-N -1 0 312.369 -0.142 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC2(O)COC2)cc1C(=O)[O-] ZINC001184710881 833768082 /nfs/dbraw/zinc/76/80/82/833768082.db2.gz IWFXXEUBPMQFBR-UHFFFAOYSA-N -1 0 301.320 -0.267 20 0 DBADRM CNS(=O)(=O)CCNC(=O)c1nc(SC)ncc1[O-] ZINC001185185237 833782280 /nfs/dbraw/zinc/78/22/80/833782280.db2.gz DNHIGDFZZZGPCR-UHFFFAOYSA-N -1 0 306.369 -0.817 20 0 DBADRM Cn1nncc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001185568401 833798330 /nfs/dbraw/zinc/79/83/30/833798330.db2.gz TWSPAASIISLOLK-UHFFFAOYSA-N -1 0 306.311 -0.204 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)C[C@@H](O)CO ZINC001185887509 833815403 /nfs/dbraw/zinc/81/54/03/833815403.db2.gz JGZDHPASUTUCCG-SNVBAGLBSA-N -1 0 303.336 -0.333 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CNC(=O)O2)ccc1F ZINC001186217210 833838726 /nfs/dbraw/zinc/83/87/26/833838726.db2.gz LNWYPOYCGOQGQE-LURJTMIESA-N -1 0 318.282 -0.089 20 0 DBADRM CCCOCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001187175581 833906333 /nfs/dbraw/zinc/90/63/33/833906333.db2.gz WKFXZEOWAXGYPO-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(Cc1ccc[nH]1)C2 ZINC001277023930 833920830 /nfs/dbraw/zinc/92/08/30/833920830.db2.gz MIRVWWWJACYKHD-UHFFFAOYSA-N -1 0 313.325 -0.549 20 0 DBADRM C[C@@H]1C[C@@H]1CN1CCc2onc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001277133523 833927964 /nfs/dbraw/zinc/92/79/64/833927964.db2.gz CQTBBSCINWFHMU-RKDXNWHRSA-N -1 0 317.353 -0.114 20 0 DBADRM Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2C[N@H+](CC3CCC3)C[C@H]12 ZINC001277297084 833940588 /nfs/dbraw/zinc/94/05/88/833940588.db2.gz JMDDINGAOMERSD-VHSXEESVSA-N -1 0 305.342 -0.943 20 0 DBADRM CCOC(=O)[C@H]([N-]S(=O)(=O)c1c[nH]cn1)c1cnccn1 ZINC001187787074 833949316 /nfs/dbraw/zinc/94/93/16/833949316.db2.gz JRDYFYUCXNNXBC-SNVBAGLBSA-N -1 0 311.323 -0.218 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1c(C(N)=O)c(C)nn1C ZINC001188349408 833977656 /nfs/dbraw/zinc/97/76/56/833977656.db2.gz ALUCBNRZZZPTTJ-UHFFFAOYSA-N -1 0 304.328 -0.868 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1nccnc1C(=O)OC ZINC001188350504 833977684 /nfs/dbraw/zinc/97/76/84/833977684.db2.gz USTUAGCWRUFFDD-UHFFFAOYSA-N -1 0 303.296 -0.432 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H]1CCC(=O)NC1=O ZINC001188435613 833985375 /nfs/dbraw/zinc/98/53/75/833985375.db2.gz ZMWOAARJXIXNPH-ZETCQYMHSA-N -1 0 316.291 -0.850 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2ccc(F)nc2)C(=O)N1S(=O)(=O)[O-] ZINC001188661369 833996402 /nfs/dbraw/zinc/99/64/02/833996402.db2.gz CMBLHAYGISMVQH-XNCJUZBTSA-N -1 0 303.271 -0.647 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001188766055 834011016 /nfs/dbraw/zinc/01/10/16/834011016.db2.gz UVYURRDMWJSGOY-WCBMZHEXSA-N -1 0 310.358 -0.932 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]cc1I ZINC001189122977 834051746 /nfs/dbraw/zinc/05/17/46/834051746.db2.gz XRLXMCLCLNADMG-UHFFFAOYSA-N -1 0 319.066 -0.788 20 0 DBADRM CCOCCC(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001189300915 834062463 /nfs/dbraw/zinc/06/24/63/834062463.db2.gz OGLQJSYYLGUCHD-NSHDSACASA-N -1 0 311.386 -0.432 20 0 DBADRM CO[C@@H](C)CC(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001189302806 834062610 /nfs/dbraw/zinc/06/26/10/834062610.db2.gz ZPJTWQPERLRRGI-QWRGUYRKSA-N -1 0 311.386 -0.434 20 0 DBADRM CN(C)C(=O)CC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001189367544 834070424 /nfs/dbraw/zinc/07/04/24/834070424.db2.gz OGVKQKVWUAESEZ-VHSXEESVSA-N -1 0 322.369 -0.979 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)c1cnc(N2CCOCC2)nc1 ZINC001189394507 834073939 /nfs/dbraw/zinc/07/39/39/834073939.db2.gz RPNNGLUBDXFSGI-UHFFFAOYSA-N -1 0 322.321 -0.523 20 0 DBADRM O=C(c1ccccc1S(=O)(=O)[O-])N1CC[C@@H](O)[C@H](CO)C1 ZINC001189679024 834104843 /nfs/dbraw/zinc/10/48/43/834104843.db2.gz KYJMQZBMVIWZLI-GXSJLCMTSA-N -1 0 315.347 -0.251 20 0 DBADRM O=C(c1ccccc1S(=O)(=O)[O-])N1C[C@H](O)C[C@@H]1CO ZINC001189704584 834106179 /nfs/dbraw/zinc/10/61/79/834106179.db2.gz ZRTWVRRWXNQGKA-RKDXNWHRSA-N -1 0 301.320 -0.499 20 0 DBADRM CN1CCO[C@@H](CNC(=O)c2ccccc2S(=O)(=O)[O-])C1 ZINC001189698004 834106484 /nfs/dbraw/zinc/10/64/84/834106484.db2.gz AWLHEEIINPVQHK-JTQLQIEISA-N -1 0 314.363 -0.006 20 0 DBADRM O=C(NC[C@H]1CNC(=O)O1)c1ccccc1S(=O)(=O)[O-] ZINC001189714461 834106503 /nfs/dbraw/zinc/10/65/03/834106503.db2.gz SNBTURIHHVDLOR-ZETCQYMHSA-N -1 0 300.292 -0.229 20 0 DBADRM COC(=O)[C@H](Cc1ccccc1)NC(=O)NCS(=O)(=O)[O-] ZINC001189852906 834119253 /nfs/dbraw/zinc/11/92/53/834119253.db2.gz ZCYFDXWHOVYNLC-JTQLQIEISA-N -1 0 316.335 -0.085 20 0 DBADRM Cc1nc(C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)n[nH]1 ZINC001189866161 834120048 /nfs/dbraw/zinc/12/00/48/834120048.db2.gz RLQZVKNBXWISGN-UHFFFAOYSA-N -1 0 307.291 -0.202 20 0 DBADRM O=C1CO[C@H](C[N-]S(=O)(=O)c2ncc(F)cc2F)CN1 ZINC001190207456 834146379 /nfs/dbraw/zinc/14/63/79/834146379.db2.gz OSUBPOUQHLEINA-ZETCQYMHSA-N -1 0 307.278 -0.847 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)c2ncc(F)cc2F)CCOC1 ZINC001190217589 834147903 /nfs/dbraw/zinc/14/79/03/834147903.db2.gz HDPLLHYHRIXIHE-NSHDSACASA-N -1 0 322.289 -0.030 20 0 DBADRM O=S(=O)([N-]C1CN(C2COC2)C1)c1ncc(F)cc1F ZINC001190219238 834148030 /nfs/dbraw/zinc/14/80/30/834148030.db2.gz XNRJVJXFLJYZAF-UHFFFAOYSA-N -1 0 305.306 -0.279 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001190699613 834181728 /nfs/dbraw/zinc/18/17/28/834181728.db2.gz ZEUZIXOGDKFBKU-MRVPVSSYSA-N -1 0 315.273 -0.276 20 0 DBADRM COC[C@H]1c2nnn(C)c2CCN1S(=O)(=O)c1ncc[n-]1 ZINC001190699503 834181801 /nfs/dbraw/zinc/18/18/01/834181801.db2.gz VCWRJWVDCBGJPH-VIFPVBQESA-N -1 0 312.355 -0.527 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCOC[C@](O)(C(F)(F)F)C1 ZINC001190699614 834181911 /nfs/dbraw/zinc/18/19/11/834181911.db2.gz ZEUZIXOGDKFBKU-QMMMGPOBSA-N -1 0 315.273 -0.276 20 0 DBADRM CCOC(=O)C1=C(O)CCCN1S(=O)(=O)c1ncc[n-]1 ZINC001190708420 834183140 /nfs/dbraw/zinc/18/31/40/834183140.db2.gz NCUUDKAGCMDLLK-SECBINFHSA-N -1 0 301.324 -0.305 20 0 DBADRM C[C@H]1CN(C2CN(S(=O)(=O)c3ncc[n-]3)C2)C[C@H](C)O1 ZINC001190718960 834183890 /nfs/dbraw/zinc/18/38/90/834183890.db2.gz VHVPHRXDWPYDJG-UWVGGRQHSA-N -1 0 300.384 -0.108 20 0 DBADRM Cn1c(=O)[nH]c(=O)c(N=O)c1NS(=O)(=O)c1ncc[n-]1 ZINC001190739121 834186472 /nfs/dbraw/zinc/18/64/72/834186472.db2.gz DTVDXXRIRSMUSP-UHFFFAOYSA-N -1 0 300.256 -0.592 20 0 DBADRM NC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ncc[n-]1 ZINC001190746416 834187698 /nfs/dbraw/zinc/18/76/98/834187698.db2.gz UTHPQXFBPXBEKG-JTQLQIEISA-N -1 0 310.335 -0.510 20 0 DBADRM CCOC(=O)c1noc(CNS(=O)(=O)c2ncc[n-]2)n1 ZINC001190749139 834187711 /nfs/dbraw/zinc/18/77/11/834187711.db2.gz SXZAOXWLNUBXJI-UHFFFAOYSA-N -1 0 301.284 -0.552 20 0 DBADRM COC(=O)[C@@H](Cc1cccnc1)NS(=O)(=O)c1ncc[n-]1 ZINC001190758436 834188539 /nfs/dbraw/zinc/18/85/39/834188539.db2.gz UGLAXUFDZHOHCT-SNVBAGLBSA-N -1 0 310.335 -0.133 20 0 DBADRM COCCOc1nccc(CNS(=O)(=O)c2ncc[n-]2)n1 ZINC001190757650 834189104 /nfs/dbraw/zinc/18/91/04/834189104.db2.gz AJORDZPXIDRIOJ-UHFFFAOYSA-N -1 0 313.339 -0.297 20 0 DBADRM O=C(C=Cc1ccco1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001190767540 834190127 /nfs/dbraw/zinc/19/01/27/834190127.db2.gz DBASCZARHNVMRZ-ANDSXOESSA-N -1 0 319.321 -0.522 20 0 DBADRM Cc1cc[nH]c(=O)c1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001190979304 834209100 /nfs/dbraw/zinc/20/91/00/834209100.db2.gz KSQJWUJHTWALOX-XPUUQOCRSA-N -1 0 315.307 -0.772 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC(CO)C2)c([O-])cc1Cl ZINC001191026108 834215705 /nfs/dbraw/zinc/21/57/05/834215705.db2.gz XDFGYJLOOUJVMP-UHFFFAOYSA-N -1 0 320.754 -0.243 20 0 DBADRM CCC[C@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191688408 834279407 /nfs/dbraw/zinc/27/94/07/834279407.db2.gz ZFWIXQHETZBYDL-HBNTYKKESA-N -1 0 311.386 -0.002 20 0 DBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)c2ncon2)cc1 ZINC001192030275 834319980 /nfs/dbraw/zinc/31/99/80/834319980.db2.gz UQBOXCLPJCQOLQ-UHFFFAOYSA-N -1 0 324.318 -0.060 20 0 DBADRM CS[C@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001192312770 834355520 /nfs/dbraw/zinc/35/55/20/834355520.db2.gz FZMSKHYRMDZQGU-IWSPIJDZSA-N -1 0 315.399 -0.687 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N[C@H]2CNCCC2=O)c1 ZINC001238624595 834358788 /nfs/dbraw/zinc/35/87/88/834358788.db2.gz BJXMVFLQPDFNNG-VIFPVBQESA-N -1 0 316.310 -0.267 20 0 DBADRM COC(=O)c1ccc([O-])c(C(=O)N2CC[C@H](O)[C@H](CO)C2)c1 ZINC001192386157 834367252 /nfs/dbraw/zinc/36/72/52/834367252.db2.gz DHYTWGMLHYZJOQ-JQWIXIFHSA-N -1 0 309.318 -0.006 20 0 DBADRM N=C(NC(=O)c1ccn[nH]c1=O)SCCS(=O)(=O)[O-] ZINC001192397750 834370378 /nfs/dbraw/zinc/37/03/78/834370378.db2.gz CFIQTFMCHLAVRM-UHFFFAOYSA-N -1 0 306.325 -0.532 20 0 DBADRM CNS(=O)(=O)CCNC(=O)c1cc(C(=O)OC)ccc1[O-] ZINC001192396691 834370503 /nfs/dbraw/zinc/37/05/03/834370503.db2.gz NGPWSDXWRRQFOH-UHFFFAOYSA-N -1 0 316.335 -0.542 20 0 DBADRM O=C1[N-]S(=O)(=O)c2cc(-c3cnc(NCCO)nc3)ccc21 ZINC001242835256 834402629 /nfs/dbraw/zinc/40/26/29/834402629.db2.gz YOZQIUHBAFGOQX-UHFFFAOYSA-N -1 0 320.330 -0.020 20 0 DBADRM CCCC[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001192639745 834407598 /nfs/dbraw/zinc/40/75/98/834407598.db2.gz HGDQAYIMLXNMIE-HBNTYKKESA-N -1 0 311.386 -0.002 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CC(F)(CO)C2)cc1 ZINC001192690297 834412022 /nfs/dbraw/zinc/41/20/22/834412022.db2.gz VSMGGLPCHVURDF-UHFFFAOYSA-N -1 0 319.310 -0.145 20 0 DBADRM CCOC(=O)[C@H](Cc1ccccc1)NC(=O)N=c1nn[n-]n1C ZINC001192707554 834412175 /nfs/dbraw/zinc/41/21/75/834412175.db2.gz UNNHTXWXOXALOB-NSHDSACASA-N -1 0 318.337 -0.072 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1c(F)ccc(F)c1[O-] ZINC001192719867 834413512 /nfs/dbraw/zinc/41/35/12/834413512.db2.gz NDJAWVWVQQXZDN-UHFFFAOYSA-N -1 0 302.233 -0.311 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)NCC(=O)CCO)cc1 ZINC001192743521 834415837 /nfs/dbraw/zinc/41/58/37/834415837.db2.gz KWJDOAXMGIKHSK-UHFFFAOYSA-N -1 0 317.319 -0.620 20 0 DBADRM CNC(=O)C1(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001192848870 834431678 /nfs/dbraw/zinc/43/16/78/834431678.db2.gz YAPZKJFNAAWKNN-SECBINFHSA-N -1 0 322.369 -0.931 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)c1cnccc1Cl)[C@@H](C)O ZINC001192920972 834441007 /nfs/dbraw/zinc/44/10/07/834441007.db2.gz JASCNBUIYIPTLP-HZGVNTEJSA-N -1 0 308.743 -0.064 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-][C@]1(C(=O)OC)CCOC1 ZINC001193095449 834462573 /nfs/dbraw/zinc/46/25/73/834462573.db2.gz WNXSEIJRSVRZGY-GFCCVEGCSA-N -1 0 323.367 -0.420 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC001193157798 834470379 /nfs/dbraw/zinc/47/03/79/834470379.db2.gz ZPOHPPRLBGXQFL-LLVKDONJSA-N -1 0 310.331 -0.218 20 0 DBADRM O=S(=O)(C[C@@H]1CCCO1)[N-][C@H]1COCCC12OCCO2 ZINC001193289719 834481665 /nfs/dbraw/zinc/48/16/65/834481665.db2.gz OJYRJXMHQCQVRI-QWRGUYRKSA-N -1 0 307.368 -0.383 20 0 DBADRM O=S(=O)(C[C@@H]1CCCO1)[N-][C@@H]1COCCC12OCCO2 ZINC001193289720 834481778 /nfs/dbraw/zinc/48/17/78/834481778.db2.gz OJYRJXMHQCQVRI-WDEREUQCSA-N -1 0 307.368 -0.383 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001193466281 834498530 /nfs/dbraw/zinc/49/85/30/834498530.db2.gz SFKFPZUSICGXFE-MNOVXSKESA-N -1 0 316.321 -0.365 20 0 DBADRM O=C(CN1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1)N1CCCC1 ZINC001193467167 834499271 /nfs/dbraw/zinc/49/92/71/834499271.db2.gz MFMSGENKZWYWER-UHFFFAOYSA-N -1 0 307.354 -0.505 20 0 DBADRM CS(=O)(=O)CCCN1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC001193467353 834499992 /nfs/dbraw/zinc/49/99/92/834499992.db2.gz PKHCSJQWEUGMEC-UHFFFAOYSA-N -1 0 316.383 -0.692 20 0 DBADRM Cn1ccnc1S(=O)(=O)[N-]c1cnc(OC2COC2)nc1 ZINC001193557337 834508136 /nfs/dbraw/zinc/50/81/36/834508136.db2.gz PWQYAFCUYMSXSC-UHFFFAOYSA-N -1 0 311.323 -0.212 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1nccn1C ZINC001193616644 834515121 /nfs/dbraw/zinc/51/51/21/834515121.db2.gz DMYLERHCSFXAAX-ZETCQYMHSA-N -1 0 305.312 -0.895 20 0 DBADRM O=C(NCCCc1c[nH][nH]c1=O)c1ccc(-n2cncn2)nc1 ZINC001193701921 834523324 /nfs/dbraw/zinc/52/33/24/834523324.db2.gz UCGQGBLDIAHDPM-JTQLQIEISA-N -1 0 313.321 -0.096 20 0 DBADRM O=c1cc(-c2nnn[n-]2)oc2c(NC[C@H](O)CO)cccc12 ZINC001252064321 834525175 /nfs/dbraw/zinc/52/51/75/834525175.db2.gz GNCDJMAQAWWULI-ZETCQYMHSA-N -1 0 303.278 -0.262 20 0 DBADRM CNC(=O)CN1CCC([N-]S(=O)(=O)C(F)(F)F)CC1 ZINC001252395796 834528940 /nfs/dbraw/zinc/52/89/40/834528940.db2.gz JEWMUPUIJSCVOK-UHFFFAOYSA-N -1 0 303.306 -0.364 20 0 DBADRM COC(=O)[C@@H](O)CNc1ccc(OC)cc1S(=O)(=O)[O-] ZINC001252430092 834538968 /nfs/dbraw/zinc/53/89/68/834538968.db2.gz YNBGUWDNCKXANS-VIFPVBQESA-N -1 0 305.308 -0.112 20 0 DBADRM Cc1nc(C(=O)n2[n-]c3ccnc(=O)c-3c2N)c(=O)[nH]c1C ZINC001193979356 834553480 /nfs/dbraw/zinc/55/34/80/834553480.db2.gz QRMNLDGFXNJCEF-UHFFFAOYSA-N -1 0 300.278 -0.353 20 0 DBADRM COC(=O)CC[C@H]([N-]S(=O)(=O)CC(F)(F)F)C(=O)OC ZINC001253217900 834566215 /nfs/dbraw/zinc/56/62/15/834566215.db2.gz GFHYFNPZHOXWLN-LURJTMIESA-N -1 0 321.273 -0.037 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)[N-]S(=O)(=O)CC(F)(F)F ZINC001253245900 834566562 /nfs/dbraw/zinc/56/65/62/834566562.db2.gz TVWJOKGFQKZEDA-YFKPBYRVSA-N -1 0 306.262 -0.854 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C(C)(C)C ZINC001194137454 834569791 /nfs/dbraw/zinc/56/97/91/834569791.db2.gz ULQAYAHUSMXDQJ-IVZWLZJFSA-N -1 0 311.386 -0.146 20 0 DBADRM Cn1[n-]c(C(=O)Nc2cc(N3CCN(C)CC3)ncn2)cc1=O ZINC001194189014 834575040 /nfs/dbraw/zinc/57/50/40/834575040.db2.gz LJQXRPTVPSAKTQ-UHFFFAOYSA-N -1 0 317.353 -0.080 20 0 DBADRM COC(=O)[C@H](Cc1cncn1C)NC(=O)c1cc(=O)n(C)[n-]1 ZINC001194212635 834577411 /nfs/dbraw/zinc/57/74/11/834577411.db2.gz VOJCOVWGTNYEAY-JTQLQIEISA-N -1 0 307.310 -0.627 20 0 DBADRM COC(=O)Cn1cc(NC(=O)c2cc(C(=O)OC)[n-]n2)cn1 ZINC001194282105 834583922 /nfs/dbraw/zinc/58/39/22/834583922.db2.gz CUKMUZUQUISKNV-UHFFFAOYSA-N -1 0 307.266 -0.182 20 0 DBADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N[C@@H](CO)C(N)=O ZINC001194278070 834584312 /nfs/dbraw/zinc/58/43/12/834584312.db2.gz WXXDLUWXVNEJHD-JTQLQIEISA-N -1 0 304.306 -0.538 20 0 DBADRM CNC(=O)c1cncc(C=CC(=O)NCc2nc(=O)o[n-]2)c1 ZINC001254033531 834584599 /nfs/dbraw/zinc/58/45/99/834584599.db2.gz NXTBJLJYNYKYHP-NSCUHMNNSA-N -1 0 303.278 -0.553 20 0 DBADRM CC(=O)OCc1cn(CCOCCOCCC(=O)[O-])nn1 ZINC001254089408 834586737 /nfs/dbraw/zinc/58/67/37/834586737.db2.gz ZDNQSWKXXPSZSQ-UHFFFAOYSA-N -1 0 301.299 -0.151 20 0 DBADRM O=C1[N-]OC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC001194315186 834588715 /nfs/dbraw/zinc/58/87/15/834588715.db2.gz FJFKHFICURLXCD-ZCFIWIBFSA-N -1 0 311.241 -0.191 20 0 DBADRM COC(=O)c1c(F)cccc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC001254417160 834597427 /nfs/dbraw/zinc/59/74/27/834597427.db2.gz GUYGWDIDIOJHLL-UHFFFAOYSA-N -1 0 322.256 -0.620 20 0 DBADRM CCOC(=O)CN1CCC(N[C@H]2SC(=O)[N-]C2=O)CC1 ZINC001254393779 834597891 /nfs/dbraw/zinc/59/78/91/834597891.db2.gz SPVJIEZLJHJYEV-NSHDSACASA-N -1 0 301.368 -0.087 20 0 DBADRM COCCn1cccc(C(=O)Nc2ncnc3[n-]nnc32)c1=O ZINC001194486457 834603231 /nfs/dbraw/zinc/60/32/31/834603231.db2.gz OWMWCFVGQHKOTO-UHFFFAOYSA-N -1 0 315.293 -0.192 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)ccn1 ZINC001194693131 834619983 /nfs/dbraw/zinc/61/99/83/834619983.db2.gz CBFUCCZJXDVAEN-SECBINFHSA-N -1 0 315.332 -0.476 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)c1cn(-c2cnccn2)cn1 ZINC001194734407 834625872 /nfs/dbraw/zinc/62/58/72/834625872.db2.gz YAHHTHKEEYVECN-UHFFFAOYSA-N -1 0 303.278 -0.174 20 0 DBADRM COc1cc(C(=O)Nc2[nH]c(=O)nc3[nH]c(=O)[nH]c32)n(C)n1 ZINC001194750427 834627855 /nfs/dbraw/zinc/62/78/55/834627855.db2.gz KKEYQKBWBQGZTL-UHFFFAOYSA-N -1 0 305.254 -0.290 20 0 DBADRM COCCOC1CCC(C(=O)[N-]S(=O)(=O)CC(N)=O)CC1 ZINC001256409456 834629170 /nfs/dbraw/zinc/62/91/70/834629170.db2.gz SLTMXEAAEIBUAB-UHFFFAOYSA-N -1 0 322.383 -0.861 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2c[nH]nc2Cl)C(=O)N1S(=O)(=O)[O-] ZINC001194956293 834645374 /nfs/dbraw/zinc/64/53/74/834645374.db2.gz ZJAQGJVVFGMQLY-UCORVYFPSA-N -1 0 308.703 -0.805 20 0 DBADRM CCN(CCCNC(=O)C(=O)[N-]OCC(C)C)S(C)(=O)=O ZINC001257344608 834655079 /nfs/dbraw/zinc/65/50/79/834655079.db2.gz SDPCPSHEECEVIL-UHFFFAOYSA-N -1 0 323.415 -0.522 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC001195244379 834664946 /nfs/dbraw/zinc/66/49/46/834664946.db2.gz DUXGSMRIVGIKNS-UHFFFAOYSA-N -1 0 320.273 -0.041 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001258115988 834670706 /nfs/dbraw/zinc/67/07/06/834670706.db2.gz ONNVSIBQQSFNPL-UHFFFAOYSA-N -1 0 315.370 -0.366 20 0 DBADRM COc1ccccc1CO[N-]C(=O)C(=O)NCCn1cncn1 ZINC001258138652 834671453 /nfs/dbraw/zinc/67/14/53/834671453.db2.gz AYSUFGCAIRJCLL-UHFFFAOYSA-N -1 0 319.321 -0.349 20 0 DBADRM CC(C)(C)[S@@](=O)CCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001258407146 834683011 /nfs/dbraw/zinc/68/30/11/834683011.db2.gz KIYHIBPVGRRKJJ-UZJPJQLHSA-N -1 0 320.411 -0.266 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)NCC[P@@](=O)([O-])O ZINC001258457929 834683944 /nfs/dbraw/zinc/68/39/44/834683944.db2.gz JIXOMQNHSJHNIT-UHFFFAOYSA-N -1 0 317.691 -0.162 20 0 DBADRM CCc1c([N-]S(=O)(=O)c2cn(C)cn2)c(C(N)=O)nn1C ZINC001258993951 834690373 /nfs/dbraw/zinc/69/03/73/834690373.db2.gz JXEKULFJFCPEQY-UHFFFAOYSA-N -1 0 312.355 -0.384 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1nc(OC)nc(OC)c1C ZINC001259020610 834693288 /nfs/dbraw/zinc/69/32/88/834693288.db2.gz YHVPXORKFDZSOF-UHFFFAOYSA-N -1 0 305.312 -0.283 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1nc(OC)ccc1C(=O)OC ZINC001259020077 834693441 /nfs/dbraw/zinc/69/34/41/834693441.db2.gz DLVWKLTYCPZGQT-UHFFFAOYSA-N -1 0 318.307 -0.209 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cc(Cl)cnc1C(N)=O ZINC001259018773 834693547 /nfs/dbraw/zinc/69/35/47/834693547.db2.gz GWMPQBUDHKNGJW-UHFFFAOYSA-N -1 0 307.715 -0.251 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cncc(OC)c1C(=O)OC ZINC001259020097 834693617 /nfs/dbraw/zinc/69/36/17/834693617.db2.gz FCZZIEVORJBUEW-UHFFFAOYSA-N -1 0 318.307 -0.209 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cc(OC)cc(C(N)=O)c1 ZINC001259027138 834696467 /nfs/dbraw/zinc/69/64/67/834696467.db2.gz NWUOGJLMUIZPQY-UHFFFAOYSA-N -1 0 302.308 -0.291 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cc(=O)n(C)c(SC)n1 ZINC001259030544 834697504 /nfs/dbraw/zinc/69/75/04/834697504.db2.gz HWXUXWSTNFBZOO-UHFFFAOYSA-N -1 0 307.353 -0.583 20 0 DBADRM COC(=O)CS(=O)(=O)[N-][C@@](C)(C(=O)OC)C(F)(F)F ZINC001259033832 834699041 /nfs/dbraw/zinc/69/90/41/834699041.db2.gz XBBDVCMXVWALNC-ZETCQYMHSA-N -1 0 307.246 -0.427 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccccn1 ZINC001259290800 834702035 /nfs/dbraw/zinc/70/20/35/834702035.db2.gz JJTUZUAOQRXZGZ-QMMMGPOBSA-N -1 0 302.308 -0.234 20 0 DBADRM O=C1[N-]OC[C@H]1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001259346658 834703212 /nfs/dbraw/zinc/70/32/12/834703212.db2.gz QGOBBBZEEALPTB-MRVPVSSYSA-N -1 0 300.292 -0.834 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2cncc(N3CCOCC3)n2)cn1 ZINC001259820889 834707659 /nfs/dbraw/zinc/70/76/59/834707659.db2.gz VTXVVOUNVURGEB-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM CCOC(=O)Cc1ncc([N-]S(=O)(=O)CCOC)cn1 ZINC001259966605 834718109 /nfs/dbraw/zinc/71/81/09/834718109.db2.gz MLLFQHFPAAWMBL-UHFFFAOYSA-N -1 0 303.340 -0.030 20 0 DBADRM CN1CC([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)C1 ZINC001260179011 834730069 /nfs/dbraw/zinc/73/00/69/834730069.db2.gz YSCWSFJXIWXEJL-UHFFFAOYSA-N -1 0 302.747 -0.630 20 0 DBADRM COC(=O)C(NS(=O)(=O)c1cccc(C(=O)[O-])c1)=C(C)O ZINC001260192975 834730101 /nfs/dbraw/zinc/73/01/01/834730101.db2.gz VPHWIDNYCSYDDP-JTQLQIEISA-N -1 0 315.303 -0.206 20 0 DBADRM O=S(=O)([N-]CC1(F)COC1)c1nc2nc(Cl)ccn2n1 ZINC001260178348 834730168 /nfs/dbraw/zinc/73/01/68/834730168.db2.gz DNASUHRZKDYJMJ-UHFFFAOYSA-N -1 0 321.721 -0.206 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2CC[C@@H](CO)[C@H](O)C2)c1 ZINC001260184996 834730507 /nfs/dbraw/zinc/73/05/07/834730507.db2.gz MKQAZOIKTLMCFW-CMPLNLGQSA-N -1 0 315.347 -0.251 20 0 DBADRM C[C@@H](CCO)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260178590 834730575 /nfs/dbraw/zinc/73/05/75/834730575.db2.gz ISNLJIIWADSOFM-LURJTMIESA-N -1 0 305.747 -0.173 20 0 DBADRM C[C@H](CCO)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260178591 834730630 /nfs/dbraw/zinc/73/06/30/834730630.db2.gz ISNLJIIWADSOFM-ZCFIWIBFSA-N -1 0 305.747 -0.173 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)NCC(=O)CCO)c1 ZINC001260218793 834731527 /nfs/dbraw/zinc/73/15/27/834731527.db2.gz QBXHJXBCLVEGDC-UHFFFAOYSA-N -1 0 305.283 -0.246 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC001260223798 834731270 /nfs/dbraw/zinc/73/12/70/834731270.db2.gz ZQOGMXHVGSASGT-PWSUYJOCSA-N -1 0 315.347 -0.251 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CNC(=O)CO2)cc1 ZINC001260230176 834731341 /nfs/dbraw/zinc/73/13/41/834731341.db2.gz JIWBSSKUPZXWBY-VIFPVBQESA-N -1 0 314.319 -0.822 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)cc1 ZINC001260229294 834731365 /nfs/dbraw/zinc/73/13/65/834731365.db2.gz AUIIXJGAFZEZSZ-QMMMGPOBSA-N -1 0 316.316 -0.028 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)NC[C@H]2CNC(=O)CO2)c1 ZINC001260193127 834731603 /nfs/dbraw/zinc/73/16/03/834731603.db2.gz ZFKUMMJNLQSSJC-SECBINFHSA-N -1 0 314.319 -0.822 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC001260229293 834731783 /nfs/dbraw/zinc/73/17/83/834731783.db2.gz AUIIXJGAFZEZSZ-MRVPVSSYSA-N -1 0 316.316 -0.028 20 0 DBADRM COc1cc([N-]S(=O)(=O)CS(C)(=O)=O)nc(OC)n1 ZINC001260584156 834736612 /nfs/dbraw/zinc/73/66/12/834736612.db2.gz VEEWXKVSKPPRSC-UHFFFAOYSA-N -1 0 311.341 -0.762 20 0 DBADRM COC(=O)c1ncccc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260584154 834736819 /nfs/dbraw/zinc/73/68/19/834736819.db2.gz VCZPEKOFOFWCII-UHFFFAOYSA-N -1 0 308.337 -0.388 20 0 DBADRM COC(=O)c1cc([N-]S(=O)(=O)CS(C)(=O)=O)ccn1 ZINC001260584367 834737510 /nfs/dbraw/zinc/73/75/10/834737510.db2.gz ZPWYEOMKPFWGNL-UHFFFAOYSA-N -1 0 308.337 -0.966 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1cccnc1OC1COC1 ZINC001260584675 834737649 /nfs/dbraw/zinc/73/76/49/834737649.db2.gz SBIUEPAGRQTPPV-UHFFFAOYSA-N -1 0 322.364 -0.397 20 0 DBADRM CCOC(=O)c1cc([N-]S(=O)(=O)CS(C)(=O)=O)ccn1 ZINC001260584519 834737825 /nfs/dbraw/zinc/73/78/25/834737825.db2.gz KFSFQUZRTDKHDA-UHFFFAOYSA-N -1 0 322.364 -0.576 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1[nH]c(=O)[nH]c(=O)c1N=O ZINC001195943103 834738035 /nfs/dbraw/zinc/73/80/35/834738035.db2.gz XNXORRFNQOPTIW-UHFFFAOYSA-N -1 0 306.256 -0.410 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1ncccc1C(=O)NC ZINC001195942327 834738186 /nfs/dbraw/zinc/73/81/86/834738186.db2.gz UIGZDRINNNSSOJ-UHFFFAOYSA-N -1 0 301.324 -0.254 20 0 DBADRM O=C1COc2ccc(S(=O)(=O)NCS(=O)(=O)[O-])cc2N1 ZINC001260675649 834744559 /nfs/dbraw/zinc/74/45/59/834744559.db2.gz UMEVNGLPBPZJEA-UHFFFAOYSA-N -1 0 322.320 -0.859 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NC[C@@H]2CNC(=O)C2)s1 ZINC001260709051 834745707 /nfs/dbraw/zinc/74/57/07/834745707.db2.gz SADSCSXKOFDHTF-ZETCQYMHSA-N -1 0 318.380 -0.484 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NC[C@H]2CNC(=O)C2)s1 ZINC001260709050 834746178 /nfs/dbraw/zinc/74/61/78/834746178.db2.gz SADSCSXKOFDHTF-SSDOTTSWSA-N -1 0 318.380 -0.484 20 0 DBADRM CC[C@H](C)S(=O)(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001260745370 834746263 /nfs/dbraw/zinc/74/62/63/834746263.db2.gz OYHLJKZNCODPCN-ACZMJKKPSA-N -1 0 300.358 -0.894 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1c(C)n(C)nc1C(N)=O ZINC001261023531 834749019 /nfs/dbraw/zinc/74/90/19/834749019.db2.gz AQYMDPZQBQVFBW-UHFFFAOYSA-N -1 0 312.355 -0.032 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cnn2ccncc12 ZINC001261146513 834758672 /nfs/dbraw/zinc/75/86/72/834758672.db2.gz HFFBLXSPUDINLL-UHFFFAOYSA-N -1 0 320.334 -0.110 20 0 DBADRM CCc1cnccc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001196147101 834760720 /nfs/dbraw/zinc/76/07/20/834760720.db2.gz HVFQAMUTCCTGLX-XVKPBYJWSA-N -1 0 313.335 -0.224 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)[N-]OCCC(F)(F)F)CCOC1 ZINC001261186392 834766033 /nfs/dbraw/zinc/76/60/33/834766033.db2.gz FUYPAPKHILENRK-JTQLQIEISA-N -1 0 314.260 -0.092 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)[N-]OCCC2CC2)n1 ZINC001261242287 834772702 /nfs/dbraw/zinc/77/27/02/834772702.db2.gz OEBYZBHMJOXZRZ-UHFFFAOYSA-N -1 0 323.353 -0.242 20 0 DBADRM COCCn1cc(NC(=O)C(=O)[N-]OCC2CC2)ccc1=O ZINC001261242097 834772777 /nfs/dbraw/zinc/77/27/77/834772777.db2.gz IPMGQZSLPAMYKV-UHFFFAOYSA-N -1 0 309.322 -0.109 20 0 DBADRM N[C@@H]1NCN(C(=O)c2cc(Cl)c(F)cc2[O-])[C@@H]2NCN[C@H]21 ZINC001196477741 834787474 /nfs/dbraw/zinc/78/74/74/834787474.db2.gz GBUINVSPAGUMDJ-AXFHLTTASA-N -1 0 315.736 -0.683 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001261480785 834792321 /nfs/dbraw/zinc/79/23/21/834792321.db2.gz ZTUUVLQLGMLROC-VIFPVBQESA-N -1 0 307.306 -0.208 20 0 DBADRM CC(C)[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O ZINC001196560588 834792524 /nfs/dbraw/zinc/79/25/24/834792524.db2.gz UBLOUZBGVRRHIA-GMTAPVOTSA-N -1 0 311.386 -0.938 20 0 DBADRM NC(=O)CN[C@@H]1CC(=O)N(Cc2ccc(C(=O)[O-])cc2)C1=O ZINC001261530396 834801189 /nfs/dbraw/zinc/80/11/89/834801189.db2.gz CPNGCQQVGDBZFY-SNVBAGLBSA-N -1 0 305.290 -0.913 20 0 DBADRM NC(=O)CN[C@H]1CC(=O)N(Cc2ccc(C(=O)[O-])cc2)C1=O ZINC001261530395 834801331 /nfs/dbraw/zinc/80/13/31/834801331.db2.gz CPNGCQQVGDBZFY-JTQLQIEISA-N -1 0 305.290 -0.913 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCOCc1ccccc1 ZINC001261534487 834801750 /nfs/dbraw/zinc/80/17/50/834801750.db2.gz REUPGNWBHOHUPE-UHFFFAOYSA-N -1 0 323.349 -0.497 20 0 DBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)NC[C@@H]1CNC(=O)C1 ZINC001196740029 834802469 /nfs/dbraw/zinc/80/24/69/834802469.db2.gz UQHUHHJAFNWWHF-ZETCQYMHSA-N -1 0 317.392 -0.015 20 0 DBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)NCC(=O)CCO ZINC001196738631 834802594 /nfs/dbraw/zinc/80/25/94/834802594.db2.gz CKQLRCZSUGHKLX-UHFFFAOYSA-N -1 0 306.365 -0.199 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC001261536873 834803436 /nfs/dbraw/zinc/80/34/36/834803436.db2.gz BYMXPRWLZVUQDF-QWRGUYRKSA-N -1 0 315.370 -0.510 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCS[C@@H](C)[C@H]1C ZINC001261543074 834805021 /nfs/dbraw/zinc/80/50/21/834805021.db2.gz CRXPLOOOVZNRDI-BDAKNGLRSA-N -1 0 303.384 -0.477 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@H](SC)C1 ZINC001261543533 834805779 /nfs/dbraw/zinc/80/57/79/834805779.db2.gz QOXBVTPSCBLLOX-JTQLQIEISA-N -1 0 317.411 -0.086 20 0 DBADRM Cc1cc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)c(N(C)C)nn1 ZINC001261601103 834812254 /nfs/dbraw/zinc/81/22/54/834812254.db2.gz DFYBTVQOPIZERO-SNVBAGLBSA-N -1 0 323.353 -0.126 20 0 DBADRM COC(=O)CCCCS(=O)(=O)[N-]c1cnn(C)c1C(N)=O ZINC001196915528 834817619 /nfs/dbraw/zinc/81/76/19/834817619.db2.gz ZXRDAQDWLNFNLG-UHFFFAOYSA-N -1 0 318.355 -0.396 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@](C)(C2CC2)C1 ZINC001261721339 834839449 /nfs/dbraw/zinc/83/94/49/834839449.db2.gz YVPRFWCRHCMIIR-AWEZNQCLSA-N -1 0 313.354 -0.802 20 0 DBADRM O=C([N-]OCCN1CCCC1=O)c1cnc2n(c1=O)CCS2 ZINC001261754963 834844190 /nfs/dbraw/zinc/84/41/90/834844190.db2.gz QLZGLMFPYVUENA-UHFFFAOYSA-N -1 0 324.362 -0.367 20 0 DBADRM CC(C)C[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001197244773 834850788 /nfs/dbraw/zinc/85/07/88/834850788.db2.gz ZGPNLXKBPBTNGA-GMTAPVOTSA-N -1 0 311.386 -0.146 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2nccn2C)CC[C@@H]1C(=O)[O-] ZINC001261837649 834862170 /nfs/dbraw/zinc/86/21/70/834862170.db2.gz JTQBNBGRGAJBKN-QWRGUYRKSA-N -1 0 322.365 -0.052 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)CC2)CC[C@@H]1C(=O)[O-] ZINC001261837520 834862178 /nfs/dbraw/zinc/86/21/78/834862178.db2.gz GKPCBOKMEPJQND-YPMHNXCESA-N -1 0 323.393 -0.138 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CCO1 ZINC001261874916 834869426 /nfs/dbraw/zinc/86/94/26/834869426.db2.gz OZTKSYDNAUBXGK-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM O=C(/C=C\COC1CCOCC1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC001261880719 834870782 /nfs/dbraw/zinc/87/07/82/834870782.db2.gz MLRJVNOHTADSSW-BIOMNHJASA-N -1 0 319.379 -0.027 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)Cc1ccccn1)C(=O)OC ZINC001197839853 834909231 /nfs/dbraw/zinc/90/92/31/834909231.db2.gz KHCKZWWYFVYZSM-JTQLQIEISA-N -1 0 316.335 -0.394 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)CCSC1 ZINC001262307210 834931415 /nfs/dbraw/zinc/93/14/15/834931415.db2.gz GCURNIITNHVRIL-ZWNOBZJWSA-N -1 0 318.395 -0.291 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ccncc1N1CCOCC1 ZINC001198217018 834934390 /nfs/dbraw/zinc/93/43/90/834934390.db2.gz YWYBCROPKOFRAF-UHFFFAOYSA-N -1 0 304.310 -0.328 20 0 DBADRM NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2C(=O)[O-])CCO1 ZINC001198766179 834967891 /nfs/dbraw/zinc/96/78/91/834967891.db2.gz CERASVMLPWIGAR-SECBINFHSA-N -1 0 314.319 -0.740 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)c1ccccc1C(=O)[O-])[C@@H](C)O ZINC001198801236 834969236 /nfs/dbraw/zinc/96/92/36/834969236.db2.gz HFGHFBFYOKKURH-GMSGAONNSA-N -1 0 317.319 -0.415 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)NCCN1CC[C@@H](O)C1 ZINC001198801544 834969699 /nfs/dbraw/zinc/96/96/99/834969699.db2.gz LNRJHZKOVYSAKO-SNVBAGLBSA-N -1 0 314.363 -0.270 20 0 DBADRM COCCn1cc(C(=O)NC2C(=O)N=CN=C2[O-])ccc1=O ZINC001198822831 834970069 /nfs/dbraw/zinc/97/00/69/834970069.db2.gz OCHYFFNINQZJKE-UHFFFAOYSA-N -1 0 306.278 -0.052 20 0 DBADRM COCCn1cc(C(=O)N[C@H]2SC(=O)[N-]C2=O)ccc1=O ZINC001198837940 834971847 /nfs/dbraw/zinc/97/18/47/834971847.db2.gz QWXBVNIZVKOBPS-NSHDSACASA-N -1 0 311.319 -0.466 20 0 DBADRM COCCn1cc(C(=O)NCC(=O)CCC(=O)[O-])ccc1=O ZINC001198839746 834972641 /nfs/dbraw/zinc/97/26/41/834972641.db2.gz LDSZZSUHVDJASH-UHFFFAOYSA-N -1 0 310.306 -0.342 20 0 DBADRM COCCn1nc(C(=O)N[C@@H]2CO[N-]C2=O)cc1C(F)(F)F ZINC001199155208 834993332 /nfs/dbraw/zinc/99/33/32/834993332.db2.gz OWFAUTKSKHJBDM-SSDOTTSWSA-N -1 0 322.243 -0.292 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1nccnc1OCC(F)(F)F ZINC001199183030 834996387 /nfs/dbraw/zinc/99/63/87/834996387.db2.gz VLXPWKCEYCPQBO-RXMQYKEDSA-N -1 0 306.200 -0.423 20 0 DBADRM NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2CO[N-]C2=O)cc1 ZINC001199189960 834996924 /nfs/dbraw/zinc/99/69/24/834996924.db2.gz ZXAIDYWRFAJVGA-MRVPVSSYSA-N -1 0 316.364 -0.950 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccc(=O)n(CC(F)(F)F)c1 ZINC001199502036 835028864 /nfs/dbraw/zinc/02/88/64/835028864.db2.gz UQOXVPPSNQUZCU-UHFFFAOYSA-N -1 0 302.216 -0.146 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cnc(OC2CCOCC2)nc1 ZINC001199517764 835029391 /nfs/dbraw/zinc/02/93/91/835029391.db2.gz JKCLVMYECNXRRQ-UHFFFAOYSA-N -1 0 305.298 -0.523 20 0 DBADRM C[C@H]1[C@H](NC(=S)NC[C@H]2CCCO2)C(=O)N1S(=O)(=O)[O-] ZINC001200034111 835085547 /nfs/dbraw/zinc/08/55/47/835085547.db2.gz CNTFEZWGHPQNDR-RNJXMRFFSA-N -1 0 323.396 -0.968 20 0 DBADRM CC[C@]1(C(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001265864347 835187042 /nfs/dbraw/zinc/18/70/42/835187042.db2.gz FSUBYGOKHFSZDB-CQSZACIVSA-N -1 0 324.385 -0.635 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001265938643 835204091 /nfs/dbraw/zinc/20/40/91/835204091.db2.gz FWOBFFAXEFQCHF-UHFFFAOYSA-N -1 0 312.374 -0.637 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]c1scnc1C(N)=O ZINC001201905000 835217517 /nfs/dbraw/zinc/21/75/17/835217517.db2.gz CJUFFNXLTSRDCL-UHFFFAOYSA-N -1 0 307.353 -0.063 20 0 DBADRM CN(CCNC(=O)[C@H]1CCCCN(C)C1=O)Cc1n[nH]c(=O)[n-]1 ZINC001266347958 835287116 /nfs/dbraw/zinc/28/71/16/835287116.db2.gz UQMZVIFSROGXKF-SNVBAGLBSA-N -1 0 324.385 -0.683 20 0 DBADRM COC(=O)CCO[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001205059132 835333133 /nfs/dbraw/zinc/33/31/33/835333133.db2.gz OOYXNWNBOAQVEG-SNVBAGLBSA-N -1 0 311.356 -0.845 20 0 DBADRM COCCOCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001206677220 835408871 /nfs/dbraw/zinc/40/88/71/835408871.db2.gz BCSBMXYDALKYKH-NXEZZACHSA-N -1 0 313.358 -0.890 20 0 DBADRM O=C([O-])C[C@H](C(=O)OCC[NH+]1CCCCC1)[C@H](O)C(=O)[O-] ZINC001206718832 835411530 /nfs/dbraw/zinc/41/15/30/835411530.db2.gz YECUFTUWKKMJII-ONGXEEELSA-N -1 0 303.311 -0.448 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)c1cn2c(n1)CCC2 ZINC001268539461 835723038 /nfs/dbraw/zinc/72/30/38/835723038.db2.gz UBSISQAQDZOCHZ-UPHRSURJSA-N -1 0 317.353 -0.271 20 0 DBADRM Cn1ccc(CCC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)n1 ZINC001268544423 835724578 /nfs/dbraw/zinc/72/45/78/835724578.db2.gz DSEJOSSJCVVYSW-IHWYPQMZSA-N -1 0 319.369 -0.361 20 0 DBADRM Cc1cc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)c(C)nn1 ZINC001268544617 835725550 /nfs/dbraw/zinc/72/55/50/835725550.db2.gz QUVHTNYUIFYOGH-ARJAWSKDSA-N -1 0 317.353 -0.007 20 0 DBADRM C/C=C(\C)C(=O)N1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001268877781 835831722 /nfs/dbraw/zinc/83/17/22/835831722.db2.gz WDQAUERMXLFANC-QPJJXVBHSA-N -1 0 316.325 -0.584 20 0 DBADRM Cn1cc([C@@H](NC(=O)COCC(=O)[O-])C2(CO)CCC2)cn1 ZINC001600940061 970884953 /nfs/dbraw/zinc/88/49/53/970884953.db2.gz TUMAOWPKALWLSE-CYBMUJFWSA-N -1 0 311.338 -0.159 20 0 DBADRM CNC(=O)C[C@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000322613056 970910671 /nfs/dbraw/zinc/91/06/71/970910671.db2.gz LNQFUQVWWOEGGV-QMMMGPOBSA-N -1 0 307.372 -0.858 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)ccc1F ZINC000323085472 970964459 /nfs/dbraw/zinc/96/44/59/970964459.db2.gz QWHCRXOVXLOKGA-ZJUUUORDSA-N -1 0 305.283 -0.438 20 0 DBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@@H]1COC[C@H]1O ZINC000323341984 970992375 /nfs/dbraw/zinc/99/23/75/970992375.db2.gz AIDQVLZSVAMPMT-RKDXNWHRSA-N -1 0 317.319 -0.569 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCc2nnc3n2CCOC3)C1 ZINC001601550595 971013970 /nfs/dbraw/zinc/01/39/70/971013970.db2.gz CDQVMZGNURIMBW-BDAKNGLRSA-N -1 0 309.326 -0.139 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC001601575564 971023880 /nfs/dbraw/zinc/02/38/80/971023880.db2.gz RHXYHNIECLFUKK-HFJPGXAFSA-N -1 0 324.255 -0.509 20 0 DBADRM CC(=O)NC[C@@H](O)CNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001573529887 946680773 /nfs/dbraw/zinc/68/07/73/946680773.db2.gz KTOJWGAIDGFOTH-RXMQYKEDSA-N -1 0 317.762 -0.115 20 0 DBADRM C[C@@H]1CCC[C@@]1(O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000328062936 971444137 /nfs/dbraw/zinc/44/41/37/971444137.db2.gz BXXAFGOMSZJECR-BXKDBHETSA-N -1 0 317.367 -0.203 20 0 DBADRM C[C@H]1CCC[C@]1(O)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000328186989 971453329 /nfs/dbraw/zinc/45/33/29/971453329.db2.gz OXOOCSMUVKWESV-CPCISQLKSA-N -1 0 303.340 -0.063 20 0 DBADRM C[C@H]1CCC[C@@]1(O)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000328186993 971453407 /nfs/dbraw/zinc/45/34/07/971453407.db2.gz OXOOCSMUVKWESV-WRWORJQWSA-N -1 0 303.340 -0.063 20 0 DBADRM CC[C@](COC)(NCC(=O)NC(=O)NCC(C)C)C(=O)[O-] ZINC000328396975 971468835 /nfs/dbraw/zinc/46/88/35/971468835.db2.gz AAFSMFLHGPALQS-CYBMUJFWSA-N -1 0 303.359 -0.062 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1c(Cl)cnn1C)C(=O)[O-] ZINC000328483789 971480693 /nfs/dbraw/zinc/48/06/93/971480693.db2.gz LKBYIQYWQBVHLK-VIFPVBQESA-N -1 0 311.747 -0.159 20 0 DBADRM C[C@@H](C(=O)NCc1ccc[nH]c1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001573729133 948564799 /nfs/dbraw/zinc/56/47/99/948564799.db2.gz HGGJWJJEAIKZRG-ZETCQYMHSA-N -1 0 315.297 -0.564 20 0 DBADRM Cn1c(=O)[nH]c(NCc2cccnc2N)c(-c2nnn[n-]2)c1=O ZINC001570919352 948587104 /nfs/dbraw/zinc/58/71/04/948587104.db2.gz RUSNOHSYTZENQQ-UHFFFAOYSA-N -1 0 315.297 -0.745 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001570921203 948615711 /nfs/dbraw/zinc/61/57/11/948615711.db2.gz QXTIZIFRIRCECA-JTQLQIEISA-N -1 0 316.369 -0.005 20 0 DBADRM CCOc1n[nH]c(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001570921609 948623100 /nfs/dbraw/zinc/62/31/00/948623100.db2.gz HXCGOQWOCMMJTE-YFKPBYRVSA-N -1 0 319.289 -0.825 20 0 DBADRM Cc1nn(CCN2CCOC[C@H]2C)c(=O)c(-c2nnn[n-]2)c1C ZINC001570921650 948625145 /nfs/dbraw/zinc/62/51/45/948625145.db2.gz JRETYIPXDITGQE-SECBINFHSA-N -1 0 319.369 -0.239 20 0 DBADRM CC[C@@](COC)(NC(=O)Cn1nc2ccccn2c1=O)C(=O)[O-] ZINC000328547686 971495305 /nfs/dbraw/zinc/49/53/05/971495305.db2.gz PEIACEOJJUUTRC-AWEZNQCLSA-N -1 0 322.321 -0.508 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001570922411 948641557 /nfs/dbraw/zinc/64/15/57/948641557.db2.gz ZOLGZXMRBGAIDS-MRVPVSSYSA-N -1 0 319.325 -0.709 20 0 DBADRM CC[C@@H]1[C@H](CO)CCN1C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001570923003 948652774 /nfs/dbraw/zinc/65/27/74/948652774.db2.gz RLYZKFHLMVVOER-LPEHRKFASA-N -1 0 320.357 -0.361 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1cnccn1 ZINC001573741446 948653988 /nfs/dbraw/zinc/65/39/88/948653988.db2.gz AHDYYNDZHWPMRB-SFYZADRCSA-N -1 0 314.313 -0.313 20 0 DBADRM CC[C@H](C[C@@H](C)CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001570923421 948661547 /nfs/dbraw/zinc/66/15/47/948661547.db2.gz XXHBPRQBCPFENR-HTQZYQBOSA-N -1 0 323.357 -0.125 20 0 DBADRM CC(C)[C@H](F)C(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574079142 948763405 /nfs/dbraw/zinc/76/34/05/948763405.db2.gz ASRNOUYCMYNQGO-WPRPVWTQSA-N -1 0 322.348 -0.011 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001589555060 948782322 /nfs/dbraw/zinc/78/23/22/948782322.db2.gz DZPWCACMZMMERP-SECBINFHSA-N -1 0 315.351 -0.163 20 0 DBADRM C[C@@]1(F)CCCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001570930916 948828212 /nfs/dbraw/zinc/82/82/12/948828212.db2.gz IFOLVPDMMKSNGD-GFCCVEGCSA-N -1 0 323.336 -0.008 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001570931004 948833406 /nfs/dbraw/zinc/83/34/06/948833406.db2.gz JESSXQVMUJFDNM-QMMMGPOBSA-N -1 0 322.329 -0.838 20 0 DBADRM O=C([O-])CCCC(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000037836093 948847490 /nfs/dbraw/zinc/84/74/90/948847490.db2.gz GRUZSJSKTHFUKV-UHFFFAOYSA-N -1 0 300.355 -0.022 20 0 DBADRM O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1O2)c1cccnc1-c1nnn[n-]1 ZINC001570931770 948854402 /nfs/dbraw/zinc/85/44/02/948854402.db2.gz NMCFPSAANFAHAI-DJLDLDEBSA-N -1 0 322.350 -0.140 20 0 DBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)COCC(=O)[O-])c1 ZINC000041073244 948863595 /nfs/dbraw/zinc/86/35/95/948863595.db2.gz JDETVXHPDUVYES-UHFFFAOYSA-N -1 0 316.335 -0.057 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589568040 948884910 /nfs/dbraw/zinc/88/49/10/948884910.db2.gz ITQYFEHGGUKRPK-MNOVXSKESA-N -1 0 313.354 -0.517 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589568042 948885065 /nfs/dbraw/zinc/88/50/65/948885065.db2.gz ITQYFEHGGUKRPK-QWRGUYRKSA-N -1 0 313.354 -0.517 20 0 DBADRM NS(=O)(=O)CCCNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000045090810 948901945 /nfs/dbraw/zinc/90/19/45/948901945.db2.gz OFKMHCJZPVJEIA-JTQLQIEISA-N -1 0 321.399 -0.049 20 0 DBADRM CCC(O)(CC)CN(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001589573877 948926655 /nfs/dbraw/zinc/92/66/55/948926655.db2.gz ROFNSFYYHVIJON-SNVBAGLBSA-N -1 0 316.354 -0.692 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N(CCOC)CCC(=O)[O-])nn1 ZINC001589575283 948938356 /nfs/dbraw/zinc/93/83/56/948938356.db2.gz GOGKBCGWBWMORI-JTQLQIEISA-N -1 0 314.342 -0.388 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCCCS(N)(=O)=O)C1 ZINC000062876172 948962191 /nfs/dbraw/zinc/96/21/91/948962191.db2.gz ZRURAOOEVWHWEY-LBPRGKRZSA-N -1 0 321.399 -0.049 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N[C@]2(C(=O)[O-])CCOC2)CC1 ZINC000085854061 949055524 /nfs/dbraw/zinc/05/55/24/949055524.db2.gz LAYPIDJAMZUBBH-GFCCVEGCSA-N -1 0 320.367 -0.982 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC001589589419 949071923 /nfs/dbraw/zinc/07/19/23/949071923.db2.gz ALKSZEQKAPOQHX-RTWAVKEYSA-N -1 0 313.350 -0.497 20 0 DBADRM CC(C)OCC(=O)NC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574929279 949087625 /nfs/dbraw/zinc/08/76/25/949087625.db2.gz BYWNJMCBGMUZSD-SECBINFHSA-N -1 0 320.357 -0.580 20 0 DBADRM CC(C)n1cnnc1SCC(=O)NC[C@](C)(O)C(=O)[O-] ZINC000090276020 949121276 /nfs/dbraw/zinc/12/12/76/949121276.db2.gz BKKRYYKCHLAONU-NSHDSACASA-N -1 0 302.356 -0.097 20 0 DBADRM CC[C@]1(C)CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001589610087 949310576 /nfs/dbraw/zinc/31/05/76/949310576.db2.gz AEQXIPZHVCTMFR-CQSZACIVSA-N -1 0 324.337 -0.066 20 0 DBADRM CC[C@]1(C(C)C)NC(=O)N(CCS(=O)(=O)CC(=O)[O-])C1=O ZINC001589611088 949324666 /nfs/dbraw/zinc/32/46/66/949324666.db2.gz VTRHMJRCYWMLBA-GFCCVEGCSA-N -1 0 320.367 -0.158 20 0 DBADRM CCC1(O)CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001589613515 949347012 /nfs/dbraw/zinc/34/70/12/949347012.db2.gz QFTMHJDONRBAKS-UHFFFAOYSA-N -1 0 305.352 -0.751 20 0 DBADRM CC[C@]1(O)CCCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC001589612988 949344229 /nfs/dbraw/zinc/34/42/29/949344229.db2.gz DMKORQRUONITJC-YGRLFVJLSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@@H]1CCC[C@@H]1NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576155664 949414300 /nfs/dbraw/zinc/41/43/00/949414300.db2.gz JYYAXVGUTUDBSO-APPZFPTMSA-N -1 0 319.325 -0.566 20 0 DBADRM C[C@H]1CCC[C@@H]1NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576155665 949414402 /nfs/dbraw/zinc/41/44/02/949414402.db2.gz JYYAXVGUTUDBSO-CBAPKCEASA-N -1 0 319.325 -0.566 20 0 DBADRM CC(C)(C)C(=O)NC[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001573802547 949421772 /nfs/dbraw/zinc/42/17/72/949421772.db2.gz HXKXDNSPGGZSAS-MRVPVSSYSA-N -1 0 320.357 -0.986 20 0 DBADRM CC[C@H]1CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C[C@@H]1O ZINC001589625225 949471550 /nfs/dbraw/zinc/47/15/50/949471550.db2.gz YGWSEDSXEAHKRZ-UWVGGRQHSA-N -1 0 319.379 -0.505 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CN1CSCC1=O)C(=O)[O-] ZINC000168790287 949475898 /nfs/dbraw/zinc/47/58/98/949475898.db2.gz PAEGNXZYJRMCEV-ZETCQYMHSA-N -1 0 304.324 -0.958 20 0 DBADRM O=C([O-])c1cccc(CN2CCN3[C@H](CNS3(=O)=O)C2)c1 ZINC001595243368 949487521 /nfs/dbraw/zinc/48/75/21/949487521.db2.gz RDXKQDUQZANWNJ-GFCCVEGCSA-N -1 0 311.363 -0.281 20 0 DBADRM CC[C@@H]1CN([C@H]2CCN(CC(=O)[O-])C2=O)C[C@@]2(CCOC2)O1 ZINC001589626989 949496345 /nfs/dbraw/zinc/49/63/45/949496345.db2.gz USALDXXZUBMIKA-TYNCELHUSA-N -1 0 312.366 -0.058 20 0 DBADRM CC[C@@H]1CN(CCS(=O)(=O)CC(=O)[O-])C[C@@]2(CCOC2)O1 ZINC001589627054 949500289 /nfs/dbraw/zinc/50/02/89/949500289.db2.gz WPFYSNBZEXXSRS-DGCLKSJQSA-N -1 0 321.395 -0.244 20 0 DBADRM CN(C)CCN(CC(=O)[O-])C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000225912879 949580492 /nfs/dbraw/zinc/58/04/92/949580492.db2.gz TZHHWVQZGPXDAI-SNVBAGLBSA-N -1 0 306.384 -0.714 20 0 DBADRM CCC[C@@H](O)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589634669 949598168 /nfs/dbraw/zinc/59/81/68/949598168.db2.gz VDKVPOOMXQLKPB-SECBINFHSA-N -1 0 307.368 -0.457 20 0 DBADRM CCC[C@@]1(CO)CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC001589635674 949620823 /nfs/dbraw/zinc/62/08/23/949620823.db2.gz YKBGLVJSHKGRAG-XHDPSFHLSA-N -1 0 312.366 -0.069 20 0 DBADRM C[S@@](=O)CCCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000229337901 949651194 /nfs/dbraw/zinc/65/11/94/949651194.db2.gz QAZOSBWRIAPDMF-HXUWFJFHSA-N -1 0 306.384 -0.064 20 0 DBADRM CS(=O)(=O)NCCNC(=O)c1ccsc1CC(=O)[O-] ZINC000379079567 971598383 /nfs/dbraw/zinc/59/83/83/971598383.db2.gz XENCLDHFBKPBGP-UHFFFAOYSA-N -1 0 306.365 -0.346 20 0 DBADRM CNS(=O)(=O)CCNC(=O)c1ccsc1CC(=O)[O-] ZINC000379082480 971598504 /nfs/dbraw/zinc/59/85/04/971598504.db2.gz YFMBOGLWSOLUAB-UHFFFAOYSA-N -1 0 306.365 -0.346 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)Nc1cccnc1C(=O)[O-] ZINC000231021977 949746757 /nfs/dbraw/zinc/74/67/57/949746757.db2.gz PSEYNTGRHWONTR-UHFFFAOYSA-N -1 0 316.339 -0.207 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCc2ncc3c(n2)CCOC3)cn1 ZINC001595266034 949747776 /nfs/dbraw/zinc/74/77/76/949747776.db2.gz APFFTYDOJDRUMU-UHFFFAOYSA-N -1 0 315.289 -0.033 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCc2nnc3n2CCOC3)cn1 ZINC001595266109 949748692 /nfs/dbraw/zinc/74/86/92/949748692.db2.gz HFBVMYBCCKTQMX-UHFFFAOYSA-N -1 0 304.266 -0.774 20 0 DBADRM CC(C)[C@@H](O)C(=O)NC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574963619 949754134 /nfs/dbraw/zinc/75/41/34/949754134.db2.gz KANWGTKJXWMHQH-WCBMZHEXSA-N -1 0 320.357 -0.988 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCN[C@H](c3cn[nH]c3)C2)cn1 ZINC001595267488 949766195 /nfs/dbraw/zinc/76/61/95/949766195.db2.gz HGNJDXVVAPIGKG-NSHDSACASA-N -1 0 302.294 -0.315 20 0 DBADRM O=C([O-])c1cnc(C(=O)N[C@H](CO)[C@@H](O)c2ccccn2)cn1 ZINC001595268224 949787219 /nfs/dbraw/zinc/78/72/19/949787219.db2.gz UMNGMMCEBAPYAO-NEPJUHHUSA-N -1 0 318.289 -0.606 20 0 DBADRM O=C([O-])c1cnc(C(=O)N[C@@H](CO)[C@H](O)c2ccccn2)cn1 ZINC001595268226 949788590 /nfs/dbraw/zinc/78/85/90/949788590.db2.gz UMNGMMCEBAPYAO-NWDGAFQWSA-N -1 0 318.289 -0.606 20 0 DBADRM CCCN(C(=O)[C@H]1CC(C(=O)[O-])=NO1)[C@@H]1CCS(=O)(=O)C1 ZINC001589659399 949846122 /nfs/dbraw/zinc/84/61/22/949846122.db2.gz RJQSKZZCARBHLH-PSASIEDQSA-N -1 0 318.351 -0.358 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)N(CCO)CCOCCO ZINC001595273123 949859510 /nfs/dbraw/zinc/85/95/10/949859510.db2.gz AMOWKEXUZLSQAU-UHFFFAOYSA-N -1 0 313.310 -0.385 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001589665734 949891342 /nfs/dbraw/zinc/89/13/42/949891342.db2.gz PNBXJVOZJKOWCS-UHFFFAOYSA-N -1 0 320.349 -0.045 20 0 DBADRM CCCN1C[C@H](Cn2nnnc2N2CC[C@@H](C(=O)[O-])C2)CC1=O ZINC001589673557 949957987 /nfs/dbraw/zinc/95/79/87/949957987.db2.gz LELOFUYJOKBLNX-GHMZBOCLSA-N -1 0 322.369 -0.158 20 0 DBADRM CCCN1C[C@H](CNC(=O)c2cn(CC(=O)[O-])nn2)CC1=O ZINC001589673608 949961240 /nfs/dbraw/zinc/96/12/40/949961240.db2.gz NKFLYWLYEJWCGP-VIFPVBQESA-N -1 0 309.326 -0.649 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CC2(C1)CC(=O)Nc1nccn12 ZINC001595282654 949983509 /nfs/dbraw/zinc/98/35/09/949983509.db2.gz MLPSISYTPWQLQA-RKDXNWHRSA-N -1 0 304.306 -0.126 20 0 DBADRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001595284941 950003334 /nfs/dbraw/zinc/00/33/34/950003334.db2.gz JAXDEOVPFVNIRU-ONGXEEELSA-N -1 0 320.301 -0.443 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCC[C@H]1CNC(=O)C1)C2 ZINC001595285058 950004333 /nfs/dbraw/zinc/00/43/33/950004333.db2.gz JUCXIQDMPPDHGM-GPCCPHFNSA-N -1 0 311.338 -0.745 20 0 DBADRM CCCOC(=O)CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589677499 950015925 /nfs/dbraw/zinc/01/59/25/950015925.db2.gz MHTSTRUBTNZLLO-JTQLQIEISA-N -1 0 314.338 -0.231 20 0 DBADRM CCCOC(=O)CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589677839 950020504 /nfs/dbraw/zinc/02/05/04/950020504.db2.gz RSIZWMNYEMRPCQ-VIFPVBQESA-N -1 0 308.356 -0.287 20 0 DBADRM O=C([O-])c1c(NC(=O)[C@H]2CCNC(=O)C2)nc2n1CCOC2 ZINC001595285720 950023196 /nfs/dbraw/zinc/02/31/96/950023196.db2.gz RFSCAQGPDUZMAU-ZETCQYMHSA-N -1 0 308.294 -0.424 20 0 DBADRM O=C([O-])c1c(NC(=O)[C@@H]2CCNC(=O)C2)nc2n1CCOC2 ZINC001595285719 950023683 /nfs/dbraw/zinc/02/36/83/950023683.db2.gz RFSCAQGPDUZMAU-SSDOTTSWSA-N -1 0 308.294 -0.424 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCCNC(=O)C1 ZINC001595288227 950061288 /nfs/dbraw/zinc/06/12/88/950061288.db2.gz XRJKCYXSMHAYQX-UHFFFAOYSA-N -1 0 306.278 -0.933 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)CC=CC1 ZINC001595292467 950081620 /nfs/dbraw/zinc/08/16/20/950081620.db2.gz PJVQKIJPINVERO-VFZGTOFNSA-N -1 0 321.333 -0.098 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC000262257394 950098198 /nfs/dbraw/zinc/09/81/98/950098198.db2.gz XHDUJJNENXQMDQ-VHSXEESVSA-N -1 0 304.368 -0.409 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000262268725 950100123 /nfs/dbraw/zinc/10/01/23/950100123.db2.gz YFPWKUPYRUHLJU-NXEZZACHSA-N -1 0 306.384 -0.115 20 0 DBADRM O=C([O-])C1(C(=O)NCc2nnc3n2CCNC3=O)CCCCC1 ZINC001595295122 950112831 /nfs/dbraw/zinc/11/28/31/950112831.db2.gz RRYVSNIFZBYXTH-UHFFFAOYSA-N -1 0 321.337 -0.327 20 0 DBADRM O=Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])co1 ZINC001595295432 950122653 /nfs/dbraw/zinc/12/26/53/950122653.db2.gz LHTNTLVLVQUDSZ-SECBINFHSA-N -1 0 301.276 -0.584 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574734803 950147384 /nfs/dbraw/zinc/14/73/84/950147384.db2.gz RRHCGKMCLXCJQC-KXUCPTDWSA-N -1 0 316.369 -0.007 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1nnnn1Cc1ccccc1 ZINC000379475833 971640086 /nfs/dbraw/zinc/64/00/86/971640086.db2.gz QQQHZUVZTKULJD-RYUDHWBXSA-N -1 0 303.322 -0.259 20 0 DBADRM CCN(C(=O)C(=O)Nc1cn(C)c(=O)cc1C)[C@H](C)C(=O)[O-] ZINC001589697975 950193692 /nfs/dbraw/zinc/19/36/92/950193692.db2.gz IOLBJDVUPPHLSC-SECBINFHSA-N -1 0 309.322 -0.046 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCC2=CCCOC2)cn1 ZINC000379579429 971644587 /nfs/dbraw/zinc/64/45/87/971644587.db2.gz HNAIAWIFYXOCKV-UHFFFAOYSA-N -1 0 301.324 -0.407 20 0 DBADRM CCN(C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)[C@@H](C)C(=O)[O-] ZINC001589698458 950202450 /nfs/dbraw/zinc/20/24/50/950202450.db2.gz QFRGGPDPFXAQBX-VHSXEESVSA-N -1 0 315.370 -0.286 20 0 DBADRM CCN(C(=O)C1CCN(S(=O)(=O)NC)CC1)[C@@H](C)C(=O)[O-] ZINC001589699255 950214200 /nfs/dbraw/zinc/21/42/00/950214200.db2.gz JIUIWTSTLXKSCJ-VIFPVBQESA-N -1 0 321.399 -0.516 20 0 DBADRM CC(C)(C)NC(=O)NC(=O)Cn1ccc(-c2nnn[n-]2)cc1=O ZINC001573851472 950294012 /nfs/dbraw/zinc/29/40/12/950294012.db2.gz ZBZSMXNWVUCAMV-UHFFFAOYSA-N -1 0 319.325 -0.347 20 0 DBADRM CCN([C@@H](C)CS(C)(=O)=O)[C@H]1CCN(CC(=O)[O-])C1=O ZINC001589713933 950357923 /nfs/dbraw/zinc/35/79/23/950357923.db2.gz VPTVOWWOERADOO-UWVGGRQHSA-N -1 0 306.384 -0.573 20 0 DBADRM CCN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)[C@H](C)C(=O)[O-] ZINC001589718655 950379001 /nfs/dbraw/zinc/37/90/01/950379001.db2.gz AHVFXLOTOBTMBR-SSDOTTSWSA-N -1 0 324.337 -0.156 20 0 DBADRM CCN(CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O)[C@H](C)C(=O)[O-] ZINC001589718950 950389552 /nfs/dbraw/zinc/38/95/52/950389552.db2.gz UTFUWFLLFDTJTC-SSDOTTSWSA-N -1 0 312.326 -0.471 20 0 DBADRM CCN(CCC(=O)NC)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001589730072 950489086 /nfs/dbraw/zinc/48/90/86/950489086.db2.gz LBFDICWQMRJJOE-SNVBAGLBSA-N -1 0 313.354 -0.706 20 0 DBADRM CCN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589730235 950493017 /nfs/dbraw/zinc/49/30/17/950493017.db2.gz QLWYLPIRRTWOES-JTQLQIEISA-N -1 0 324.337 -0.209 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)CCOCCO ZINC000380045914 971671868 /nfs/dbraw/zinc/67/18/68/971671868.db2.gz OYXJBFMPPVATBY-UHFFFAOYSA-N -1 0 307.324 -0.084 20 0 DBADRM CCN(OC)C(=O)CNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001589739080 950551428 /nfs/dbraw/zinc/55/14/28/950551428.db2.gz CHYCWGMMXFXDKD-VHSXEESVSA-N -1 0 302.327 -0.218 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000380066409 971672849 /nfs/dbraw/zinc/67/28/49/971672849.db2.gz GUEKEYJAEONDNV-BQBZGAKWSA-N -1 0 314.310 -0.365 20 0 DBADRM CCN(OC)C(=O)CNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001589739081 950551755 /nfs/dbraw/zinc/55/17/55/950551755.db2.gz CHYCWGMMXFXDKD-ZJUUUORDSA-N -1 0 302.327 -0.218 20 0 DBADRM CCN(OC)C(=O)CNC(=O)N(CCOC)CCC(=O)[O-] ZINC001589739509 950559183 /nfs/dbraw/zinc/55/91/83/950559183.db2.gz SQYHZALDFSUPNT-UHFFFAOYSA-N -1 0 305.331 -0.471 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H](C)C(=O)[O-])CCN2C1=O ZINC001589740415 950577284 /nfs/dbraw/zinc/57/72/84/950577284.db2.gz SOCKIYJQUQDTNR-RKDXNWHRSA-N -1 0 312.326 -0.615 20 0 DBADRM C[S@](=O)C1(CNS(=O)(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC000380113193 971677435 /nfs/dbraw/zinc/67/74/35/971677435.db2.gz JDQQMFUEGLWFJN-IBGZPJMESA-N -1 0 318.376 -0.031 20 0 DBADRM CCN1C[C@@H](CNC(=O)c2cccn(CC(=O)[O-])c2=O)CC1=O ZINC001589741500 950604565 /nfs/dbraw/zinc/60/45/65/950604565.db2.gz ATDRXPYCCRKIIZ-SNVBAGLBSA-N -1 0 321.333 -0.469 20 0 DBADRM CCN1C[C@H](CNC(=O)c2cccn(CC(=O)[O-])c2=O)CC1=O ZINC001589741498 950605866 /nfs/dbraw/zinc/60/58/66/950605866.db2.gz ATDRXPYCCRKIIZ-JTQLQIEISA-N -1 0 321.333 -0.469 20 0 DBADRM CCN1CC[C@H]1CNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001589741897 950615330 /nfs/dbraw/zinc/61/53/30/950615330.db2.gz YDLXNBOMVXLLIH-MCIGGMRASA-N -1 0 311.382 -0.044 20 0 DBADRM CN(C(=O)N[C@H](CC(F)F)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000380134307 971679054 /nfs/dbraw/zinc/67/90/54/971679054.db2.gz TZVVHOWELNZHBG-NKWVEPMBSA-N -1 0 314.310 -0.077 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N(CCOC)CCC(=O)[O-])CC1=O ZINC001589742226 950621692 /nfs/dbraw/zinc/62/16/92/950621692.db2.gz LWKMSJHJZMWHMO-SNVBAGLBSA-N -1 0 322.383 -0.640 20 0 DBADRM CCN1CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)[C@H](C)C1 ZINC001589743862 950635510 /nfs/dbraw/zinc/63/55/10/950635510.db2.gz COZAHRZTZGICQT-SNVBAGLBSA-N -1 0 323.353 -0.541 20 0 DBADRM CCN1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC001589744615 950662413 /nfs/dbraw/zinc/66/24/13/950662413.db2.gz WCNGJYIGYQKFBZ-UHFFFAOYSA-N -1 0 306.322 -0.118 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001576214268 950667476 /nfs/dbraw/zinc/66/74/76/950667476.db2.gz OEKLGNOLCRSIOZ-IUCAKERBSA-N -1 0 324.366 -0.347 20 0 DBADRM C[C@@H]1COCC[C@@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000380195653 971683870 /nfs/dbraw/zinc/68/38/70/971683870.db2.gz DDEGXNBGJGVAAF-SCZZXKLOSA-N -1 0 303.340 -0.329 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001589882347 950693542 /nfs/dbraw/zinc/69/35/42/950693542.db2.gz OAHYJUIVBNDDTO-BXUZGUMPSA-N -1 0 300.355 -0.343 20 0 DBADRM C[C@H](CNC(=O)c1cc[nH]c1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575005828 950704929 /nfs/dbraw/zinc/70/49/29/950704929.db2.gz NWVOHBIBWKDDKA-MRVPVSSYSA-N -1 0 313.325 -0.363 20 0 DBADRM COCC[C@H](COC)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000380316318 971688946 /nfs/dbraw/zinc/68/89/46/971688946.db2.gz MDZWYIBTRCDWRZ-SSDOTTSWSA-N -1 0 307.328 -0.562 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001590036930 950749941 /nfs/dbraw/zinc/74/99/41/950749941.db2.gz CRZQUDTUMYEXJI-NXEZZACHSA-N -1 0 312.322 -0.669 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001590057596 950769282 /nfs/dbraw/zinc/76/92/82/950769282.db2.gz GCJPXICAWSBNRT-KHQFGBGNSA-N -1 0 314.338 -0.330 20 0 DBADRM CCOC(=O)[C@H](C)[C@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001590058638 950780348 /nfs/dbraw/zinc/78/03/48/950780348.db2.gz QAAHPBOEDOFVFR-UTLUCORTSA-N -1 0 322.383 -0.043 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1(C(=O)[O-])CC1 ZINC001590058609 950780529 /nfs/dbraw/zinc/78/05/29/950780529.db2.gz PTOGFHFPGSHVMK-HTQZYQBOSA-N -1 0 300.311 -0.576 20 0 DBADRM CCOC(=O)[C@@H](C)[C@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001590058635 950781309 /nfs/dbraw/zinc/78/13/09/950781309.db2.gz QAAHPBOEDOFVFR-GUBZILKMSA-N -1 0 322.383 -0.043 20 0 DBADRM CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)[C@H](OC)C(=O)[O-] ZINC001590129065 950794433 /nfs/dbraw/zinc/79/44/33/950794433.db2.gz GBWORLQUSKYULI-UTLUCORTSA-N -1 0 303.311 -0.297 20 0 DBADRM CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)[C@H](OC)C(=O)[O-] ZINC001590129062 950794312 /nfs/dbraw/zinc/79/43/12/950794312.db2.gz GBWORLQUSKYULI-GUBZILKMSA-N -1 0 303.311 -0.297 20 0 DBADRM CCOC(=O)[C@H](Cc1ccncc1)NC(=O)COCC(=O)[O-] ZINC001590129749 950804715 /nfs/dbraw/zinc/80/47/15/950804715.db2.gz OTIDGJGPRWGEMD-NSHDSACASA-N -1 0 310.306 -0.227 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC000314499573 950818841 /nfs/dbraw/zinc/81/88/41/950818841.db2.gz FCGOKULQGVMDGC-MRVPVSSYSA-N -1 0 316.339 -0.988 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC000315048326 950833887 /nfs/dbraw/zinc/83/38/87/950833887.db2.gz JASBMPJTYTZVLQ-WPRPVWTQSA-N -1 0 318.351 -0.501 20 0 DBADRM CCOC(=O)[C@@]1(C)CN(C(=O)[C@](C)(OC)C(=O)[O-])CCO1 ZINC001590178048 950851123 /nfs/dbraw/zinc/85/11/23/950851123.db2.gz NYZCMPDTDFWKTQ-OLZOCXBDSA-N -1 0 303.311 -0.343 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])CCC1 ZINC001590179956 950874717 /nfs/dbraw/zinc/87/47/17/950874717.db2.gz VWIZPOYQFGIWDV-SECBINFHSA-N -1 0 321.351 -0.413 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)C1CC1 ZINC000380427235 971698585 /nfs/dbraw/zinc/69/85/85/971698585.db2.gz JGQMCTIZNROAGL-LLVKDONJSA-N -1 0 303.340 -0.593 20 0 DBADRM CC1(C)CC(NC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001575640553 950896886 /nfs/dbraw/zinc/89/68/86/950896886.db2.gz IOWWADRBTMLUJL-UHFFFAOYSA-N -1 0 319.325 -0.566 20 0 DBADRM CCOC(=O)CC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001590345476 950902419 /nfs/dbraw/zinc/90/24/19/950902419.db2.gz DGPAIDBOPFJTAC-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCCCc2nnc[nH]2)C1 ZINC000319459327 950960254 /nfs/dbraw/zinc/96/02/54/950960254.db2.gz LBVQMPKPLUKWQP-CYBMUJFWSA-N -1 0 311.342 -0.130 20 0 DBADRM CCOC(=O)COCCNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001590648320 950961160 /nfs/dbraw/zinc/96/11/60/950961160.db2.gz GPWKRVSUQYSAMD-MNOVXSKESA-N -1 0 317.338 -0.048 20 0 DBADRM CCOC(=O)Cn1ccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)n1 ZINC001590729421 950999163 /nfs/dbraw/zinc/99/91/63/950999163.db2.gz XWQLTCZIUZWMKA-MRVPVSSYSA-N -1 0 310.266 -0.386 20 0 DBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC001590873077 951002059 /nfs/dbraw/zinc/00/20/59/951002059.db2.gz DXINCEABHNGQMO-VIFPVBQESA-N -1 0 315.326 -0.734 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](O)[C@H](F)C2)C1 ZINC001594987475 951027078 /nfs/dbraw/zinc/02/70/78/951027078.db2.gz DADHWMXFZLTXOP-AXFHLTTASA-N -1 0 316.329 -0.369 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000322949478 951039468 /nfs/dbraw/zinc/03/94/68/951039468.db2.gz RFXDRDBNNJWHCS-RNCFNFMXSA-N -1 0 301.343 -0.356 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)Cc2ccccc21 ZINC000324326305 951066952 /nfs/dbraw/zinc/06/69/52/951066952.db2.gz ZJKHWBXHKZSUDD-MNOVXSKESA-N -1 0 317.301 -0.205 20 0 DBADRM CCOC(=O)c1noc(CN[C@H](C(=O)[O-])c2ccnn2C)n1 ZINC001591279025 951111033 /nfs/dbraw/zinc/11/10/33/951111033.db2.gz ALPNUVOLZOSLDK-VIFPVBQESA-N -1 0 309.282 -0.105 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CCC[C@@H](CO)[C@H]2CO)CO1 ZINC001595002445 951150546 /nfs/dbraw/zinc/15/05/46/951150546.db2.gz HNETXVAEYVPBDM-WUHRBBMRSA-N -1 0 315.366 -0.152 20 0 DBADRM CCO[C@H](C(=O)N(CCC(=O)OC)CC(=O)[O-])[C@H]1CCOC1 ZINC001591531647 951157945 /nfs/dbraw/zinc/15/79/45/951157945.db2.gz NBHZAFWUIWVEJO-GWCFXTLKSA-N -1 0 317.338 -0.096 20 0 DBADRM CCO[C@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])[C@H]1CCOC1 ZINC001591531818 951160445 /nfs/dbraw/zinc/16/04/45/951160445.db2.gz ZCBCWOJRWVMKIE-NHCYSSNCSA-N -1 0 317.338 -0.049 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)N2CCS(=O)(=O)CC2)CO1 ZINC001595004161 951175865 /nfs/dbraw/zinc/17/58/65/951175865.db2.gz PSBIQZGYTLVZQM-UWVGGRQHSA-N -1 0 305.352 -0.487 20 0 DBADRM CCOC1(C)CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001591739450 951181086 /nfs/dbraw/zinc/18/10/86/951181086.db2.gz OPMHZJTVZLBEPI-UHFFFAOYSA-N -1 0 319.379 -0.097 20 0 DBADRM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001591739636 951183815 /nfs/dbraw/zinc/18/38/15/951183815.db2.gz YGROKOIVYWVZIS-DEKYYXRVSA-N -1 0 301.339 -0.014 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)NCc2nc(O)cc(=O)[nH]2)CO1 ZINC001595004895 951185564 /nfs/dbraw/zinc/18/55/64/951185564.db2.gz LLRKNOWCWHBICT-SFYZADRCSA-N -1 0 311.294 -0.226 20 0 DBADRM CCOC1CC(O)(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001591761452 951202898 /nfs/dbraw/zinc/20/28/98/951202898.db2.gz FUCHHQZROQSHKX-YZRBJQDESA-N -1 0 322.383 -0.700 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001591765464 951222984 /nfs/dbraw/zinc/22/29/84/951222984.db2.gz XTQXANRPFYSBLZ-GMTAPVOTSA-N -1 0 302.327 -0.325 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CC[C@](O)(C(F)(F)F)C1 ZINC000382514923 951223822 /nfs/dbraw/zinc/22/38/22/951223822.db2.gz QVPMDOMLBXETJU-MRVPVSSYSA-N -1 0 305.274 -0.515 20 0 DBADRM CCO[C@H]1COCC[C@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001591765479 951224277 /nfs/dbraw/zinc/22/42/77/951224277.db2.gz YBTUBPQEYIUZBF-VWYCJHECSA-N -1 0 322.383 -0.436 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CC[C@@](O)(C(F)(F)F)C1 ZINC000382514924 951225276 /nfs/dbraw/zinc/22/52/76/951225276.db2.gz QVPMDOMLBXETJU-QMMMGPOBSA-N -1 0 305.274 -0.515 20 0 DBADRM CCOC[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001591878110 951237382 /nfs/dbraw/zinc/23/73/82/951237382.db2.gz YDAXPXUAYOBNSK-JTQLQIEISA-N -1 0 324.337 -0.209 20 0 DBADRM CCOCCOC[C@H](O)CNC(=O)c1cc(C(=O)[O-])nn1C ZINC001591925754 951242310 /nfs/dbraw/zinc/24/23/10/951242310.db2.gz BKVUFGQLODFIPJ-SECBINFHSA-N -1 0 315.326 -0.738 20 0 DBADRM COC(=O)C[C@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000383484320 951250999 /nfs/dbraw/zinc/25/09/99/951250999.db2.gz VBDYOCMGENLFQB-QMMMGPOBSA-N -1 0 308.356 -0.431 20 0 DBADRM COC(=O)C[C@@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000383484310 951251242 /nfs/dbraw/zinc/25/12/42/951251242.db2.gz VBDYOCMGENLFQB-MRVPVSSYSA-N -1 0 308.356 -0.431 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001591977467 951254028 /nfs/dbraw/zinc/25/40/28/951254028.db2.gz TVDCORQCOTXNSV-ZJUUUORDSA-N -1 0 322.383 -0.688 20 0 DBADRM CCOC[C@H](C)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001591986841 951256134 /nfs/dbraw/zinc/25/61/34/951256134.db2.gz JSVKSBXMMFFHNS-VIFPVBQESA-N -1 0 307.368 -0.193 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001592003851 951285171 /nfs/dbraw/zinc/28/51/71/951285171.db2.gz JIYAIUVXNCDXJW-GHMZBOCLSA-N -1 0 310.306 -0.533 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])[C@@H]1SC ZINC001592003937 951285871 /nfs/dbraw/zinc/28/58/71/951285871.db2.gz MPINSKKGFZKUPF-KYXWUPHJSA-N -1 0 318.395 -0.152 20 0 DBADRM C[C@H](CNC(=O)c1ccco1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575036969 951303794 /nfs/dbraw/zinc/30/37/94/951303794.db2.gz ZGBSQYUKYYTVAQ-MRVPVSSYSA-N -1 0 314.309 -0.098 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC000381040539 971733599 /nfs/dbraw/zinc/73/35/99/971733599.db2.gz OHGUHRHUOCGYCQ-BDAKNGLRSA-N -1 0 307.372 -0.522 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCCCCS(N)(=O)=O ZINC000381135781 971741143 /nfs/dbraw/zinc/74/11/43/971741143.db2.gz IWQHFJOUPYCGQL-BDAKNGLRSA-N -1 0 307.372 -0.440 20 0 DBADRM O=C([O-])CCCCCNC(=O)C(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC001595034782 951393347 /nfs/dbraw/zinc/39/33/47/951393347.db2.gz OCMZWKHCYNRHRJ-VIFPVBQESA-N -1 0 322.308 -0.024 20 0 DBADRM CCOc1n[nH]c(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001593060740 951397061 /nfs/dbraw/zinc/39/70/61/951397061.db2.gz NODHMXCEEYYCIB-ZETCQYMHSA-N -1 0 311.298 -0.535 20 0 DBADRM O=C([O-])CCCCCNC(=O)C(=O)N1CC[C@@](F)(CO)C1 ZINC001595035003 951397557 /nfs/dbraw/zinc/39/75/57/951397557.db2.gz WBGVAWXCNWGRKU-ZDUSSCGKSA-N -1 0 304.318 -0.320 20 0 DBADRM O=C([O-])CCCCCNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001595035727 951403288 /nfs/dbraw/zinc/40/32/88/951403288.db2.gz XGMFXWUNYYVDEL-SECBINFHSA-N -1 0 312.326 -0.423 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N(CCOC)CCC(=O)[O-] ZINC001593277477 951417145 /nfs/dbraw/zinc/41/71/45/951417145.db2.gz KXRDXWFREIAGFI-UHFFFAOYSA-N -1 0 310.372 -0.446 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCSC[C@H]1CCO ZINC001595041320 951426787 /nfs/dbraw/zinc/42/67/87/951426787.db2.gz ZVIFIMQVFCUCPY-SNVBAGLBSA-N -1 0 318.395 -0.316 20 0 DBADRM CC[C@@](COC)(NS(=O)(=O)CCCC(=O)OC)C(=O)[O-] ZINC000381217230 971747490 /nfs/dbraw/zinc/74/74/90/971747490.db2.gz MZHIOLBCEKUSGY-NSHDSACASA-N -1 0 311.356 -0.261 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001595048286 951454697 /nfs/dbraw/zinc/45/46/97/951454697.db2.gz LVKJSJFIKFVKSB-SSDOTTSWSA-N -1 0 312.244 -0.243 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@H]2CCNC(=O)CC2)CC1 ZINC000396629875 951480689 /nfs/dbraw/zinc/48/06/89/951480689.db2.gz CYPSVKFQFXQXLZ-SNVBAGLBSA-N -1 0 319.383 -0.714 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000396734304 951483322 /nfs/dbraw/zinc/48/33/22/951483322.db2.gz HAMHEKJYLPUTMK-UHFFFAOYSA-N -1 0 305.290 -0.846 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC001595055677 951493062 /nfs/dbraw/zinc/49/30/62/951493062.db2.gz CEGATYHGOZZWAI-VHSXEESVSA-N -1 0 315.395 -0.727 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC001595055680 951494674 /nfs/dbraw/zinc/49/46/74/951494674.db2.gz CEGATYHGOZZWAI-ZJUUUORDSA-N -1 0 315.395 -0.727 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC001595055810 951496380 /nfs/dbraw/zinc/49/63/80/951496380.db2.gz HMEBZSCODKZWHH-SECBINFHSA-N -1 0 300.311 -0.811 20 0 DBADRM CN(C)C(=O)CN1CCCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC000397012470 951498226 /nfs/dbraw/zinc/49/82/26/951498226.db2.gz CXDKPWBCLCMCNK-VXGBXAGGSA-N -1 0 311.382 -0.280 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC001595057529 951504585 /nfs/dbraw/zinc/50/45/85/951504585.db2.gz HTALLMCXUILCQS-UHFFFAOYSA-N -1 0 309.204 -0.969 20 0 DBADRM O=C([O-])CCNC(=O)NCC1(O)CCC2(CC1)OCCO2 ZINC001595059111 951510113 /nfs/dbraw/zinc/51/01/13/951510113.db2.gz RUMQBIUKHDRXTJ-UHFFFAOYSA-N -1 0 302.327 -0.192 20 0 DBADRM O=C([O-])CN(C(=O)CCn1cnccc1=O)C1CCOCC1 ZINC001595067618 951571992 /nfs/dbraw/zinc/57/19/92/951571992.db2.gz VCPNIIWBYBVJHX-UHFFFAOYSA-N -1 0 309.322 -0.274 20 0 DBADRM CC(C)C[C@@H](CNC(=O)NC[C@@H](C)S(N)(=O)=O)C(=O)[O-] ZINC000398319207 951588303 /nfs/dbraw/zinc/58/83/03/951588303.db2.gz HIKLZTLHFWZSJD-BDAKNGLRSA-N -1 0 309.388 -0.291 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCCS(N)(=O)=O)C1 ZINC000398775990 951608756 /nfs/dbraw/zinc/60/87/56/951608756.db2.gz DYBRTXWGOFUCOI-DTWKUNHWSA-N -1 0 307.372 -0.583 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N2CCS(=O)(=O)CC2)C1 ZINC000398779995 951609479 /nfs/dbraw/zinc/60/94/79/951609479.db2.gz GHRVYVLNFJDBFY-NXEZZACHSA-N -1 0 304.368 -0.121 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N2CCS(=O)(=O)CC2)C1 ZINC000398780000 951610481 /nfs/dbraw/zinc/61/04/81/951610481.db2.gz GHRVYVLNFJDBFY-ZJUUUORDSA-N -1 0 304.368 -0.121 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)C1=O ZINC001595073600 951613774 /nfs/dbraw/zinc/61/37/74/951613774.db2.gz BLGLXECOVWAPRW-VWYCJHECSA-N -1 0 316.379 -0.677 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCN(c3cnccn3)CC2)C1=O ZINC001595074412 951630505 /nfs/dbraw/zinc/63/05/05/951630505.db2.gz RBIZHOAZAMBUDB-LLVKDONJSA-N -1 0 305.338 -0.716 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCOC[C@@H]2C[C@@H]2CCOC2)C1=O ZINC001595074430 951631836 /nfs/dbraw/zinc/63/18/36/951631836.db2.gz RRJKTKOZIOTINA-AVGNSLFASA-N -1 0 312.366 -0.201 20 0 DBADRM CN(C[C@@H]1CCOC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000399566701 951639859 /nfs/dbraw/zinc/63/98/59/951639859.db2.gz HVOKDMPOKJFICW-JTQLQIEISA-N -1 0 306.384 -0.004 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000400194148 951645417 /nfs/dbraw/zinc/64/54/17/951645417.db2.gz NVHUVQHHZQDIHK-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM CC[C@@H](CNC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000400200366 951645776 /nfs/dbraw/zinc/64/57/76/951645776.db2.gz QTTBIUCGHSWKIN-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCCOC(F)(F)F)C1=O ZINC001595082685 951701300 /nfs/dbraw/zinc/70/13/00/951701300.db2.gz KIEKUYNHEQBLTR-SSDOTTSWSA-N -1 0 312.244 -0.038 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCSC[C@H]2CO)C1=O ZINC001595083276 951708023 /nfs/dbraw/zinc/70/80/23/951708023.db2.gz KMPDOXJZHBLFFY-ZJUUUORDSA-N -1 0 316.379 -0.754 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCO[C@@H](CF)C2)C1=O ZINC001595083985 951713730 /nfs/dbraw/zinc/71/37/30/951713730.db2.gz NNRRHHLCDIYLAV-VHSXEESVSA-N -1 0 302.302 -0.494 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCc3[nH]cnc3C2)C1=O ZINC001595084929 951718870 /nfs/dbraw/zinc/71/88/70/951718870.db2.gz QKXFDSCYAHRULW-VIFPVBQESA-N -1 0 306.322 -0.382 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@H]2CCn3cncc32)C1=O ZINC001595085162 951721282 /nfs/dbraw/zinc/72/12/82/951721282.db2.gz RZDFSNDNKGIUPV-UWVGGRQHSA-N -1 0 306.322 -0.233 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC[C@H](CCCO)C2)C1=O ZINC001595085950 951727437 /nfs/dbraw/zinc/72/74/37/951727437.db2.gz FKTSKEHVQYHFAF-NWDGAFQWSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCc3nccnc3C2)C1=O ZINC001595086157 951729940 /nfs/dbraw/zinc/72/99/40/951729940.db2.gz ZWFWKXDIQNOBAH-SNVBAGLBSA-N -1 0 318.333 -0.316 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCC[C@@H]3COC[C@@H]32)C1=O ZINC001595086401 951732993 /nfs/dbraw/zinc/73/29/93/951732993.db2.gz JLWQSDIUIMBFDS-WOPDTQHZSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCC[C@@H](CO)CC2)C1=O ZINC001595086588 951735560 /nfs/dbraw/zinc/73/55/60/951735560.db2.gz LPLQSYFXYNDROO-NEPJUHHUSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)Nc2nnnn2C2CC2)C1=O ZINC001595086712 951737724 /nfs/dbraw/zinc/73/77/24/951737724.db2.gz GHWIZVMWNDOFNF-MRVPVSSYSA-N -1 0 308.298 -0.730 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@@H](O)[C@H](F)C2)C1=O ZINC001595086999 951740786 /nfs/dbraw/zinc/74/07/86/951740786.db2.gz PRGPUTZYOMXJQB-IVZWLZJFSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)O[C@@H]2CCN(C3CC3)C2=O)C1=O ZINC001595087744 951750373 /nfs/dbraw/zinc/75/03/73/951750373.db2.gz RTXZDKDETAGAPK-GHMZBOCLSA-N -1 0 324.333 -0.384 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)OCCO[C@@H]2CCOC2)C1=O ZINC001595088108 951754912 /nfs/dbraw/zinc/75/49/12/951754912.db2.gz YUWONMSXMZIWJY-GHMZBOCLSA-N -1 0 315.322 -0.342 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N2CCC[C@@H](O)C2)C1=O ZINC001595090860 951771847 /nfs/dbraw/zinc/77/18/47/951771847.db2.gz LDDMSTVDVLCQKI-MNOVXSKESA-N -1 0 313.354 -0.382 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NC[C@H]2C[C@H](O)C2)C1=O ZINC001595091546 951779959 /nfs/dbraw/zinc/77/99/59/951779959.db2.gz SBXYOBCLUQAAJB-DCAQKATOSA-N -1 0 313.354 -0.478 20 0 DBADRM O=C([O-])CN1CCCC[C@H](N2C(=O)NC3(CCC3)C2=O)C1=O ZINC001595092436 951793077 /nfs/dbraw/zinc/79/30/77/951793077.db2.gz SQJNAVQLHSPTDM-VIFPVBQESA-N -1 0 309.322 -0.073 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](N2C(=O)N[C@H](CF)C2=O)C1=O ZINC001595092533 951793823 /nfs/dbraw/zinc/79/38/23/951793823.db2.gz WTYFGYMEYJSGBR-HTQZYQBOSA-N -1 0 301.274 -0.658 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](OC(=O)[C@@H]2COCCO2)C1=O ZINC001595096107 951814597 /nfs/dbraw/zinc/81/45/97/951814597.db2.gz DUOREAMSTMYJES-ZJUUUORDSA-N -1 0 301.295 -0.589 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@]1(O)CCc2ccccc2C1 ZINC001595098760 951844115 /nfs/dbraw/zinc/84/41/15/951844115.db2.gz OOAVRAGCHFCNLP-OAHLLOKOSA-N -1 0 307.302 -0.350 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1CNC(=O)c2ccccc21 ZINC001595098779 951844275 /nfs/dbraw/zinc/84/42/75/951844275.db2.gz QDMASEALCSEQFS-JTQLQIEISA-N -1 0 306.274 -0.742 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1sccc1-n1ccnn1 ZINC001595099366 951849373 /nfs/dbraw/zinc/84/93/73/951849373.db2.gz XLCYMCIUIVGWRQ-UHFFFAOYSA-N -1 0 310.291 -0.314 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)Cn1ccc2ccccc2c1=O ZINC001595100455 951852378 /nfs/dbraw/zinc/85/23/78/951852378.db2.gz YDAXBRHMUBPANI-UHFFFAOYSA-N -1 0 318.285 -0.255 20 0 DBADRM O=C([O-])COCC(=O)NC[C@H](N1CCOCC1)C(F)(F)F ZINC001595108423 951901163 /nfs/dbraw/zinc/90/11/63/951901163.db2.gz WLBJBTUIQVRVKN-QMMMGPOBSA-N -1 0 314.260 -0.533 20 0 DBADRM O=C([O-])COCC(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC001595108455 951901255 /nfs/dbraw/zinc/90/12/55/951901255.db2.gz YTJMXSSVBHRLEB-CYBMUJFWSA-N -1 0 318.395 -0.588 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CC[C@H](OC(F)F)C1 ZINC001595112528 951914243 /nfs/dbraw/zinc/91/42/43/951914243.db2.gz WPGWSXYBNHZHQZ-ZETCQYMHSA-N -1 0 310.253 -0.956 20 0 DBADRM O=C([O-])COCCOCCNC(=O)CN1CCCCC1=O ZINC001595112686 951916470 /nfs/dbraw/zinc/91/64/70/951916470.db2.gz DWXXRFXNPMQZGJ-UHFFFAOYSA-N -1 0 302.327 -0.767 20 0 DBADRM O=C([O-])COCCOCCNC(=O)C[C@H]1CCCS1(=O)=O ZINC001595112769 951916918 /nfs/dbraw/zinc/91/69/18/951916918.db2.gz IQSFUOMGIPBQGS-SNVBAGLBSA-N -1 0 323.367 -0.812 20 0 DBADRM O=C([O-])COCCOCCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001595113041 951920343 /nfs/dbraw/zinc/92/03/43/951920343.db2.gz UUOIOZNNCHOQSZ-SNVBAGLBSA-N -1 0 302.327 -0.863 20 0 DBADRM O=C([O-])COCCOCCN1C(=O)[C@@H]2CSCCN2C1=O ZINC001595113010 951920406 /nfs/dbraw/zinc/92/04/06/951920406.db2.gz SJBJWHJJQIJHJA-VIFPVBQESA-N -1 0 318.351 -0.516 20 0 DBADRM O=C([O-])COCCOCCNC(=O)C(=O)Nc1ccccc1 ZINC001595113054 951921522 /nfs/dbraw/zinc/92/15/22/951921522.db2.gz VQQIAWYNJYSCAL-UHFFFAOYSA-N -1 0 310.306 -0.141 20 0 DBADRM O=C([O-])COCCNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC001595113856 951931031 /nfs/dbraw/zinc/93/10/31/951931031.db2.gz PPLFBDXTIILFQK-ZWNOBZJWSA-N -1 0 302.327 -0.275 20 0 DBADRM O=C([O-])COCCNC(=O)Cn1c(=O)cnc2ccccc21 ZINC001595113872 951931277 /nfs/dbraw/zinc/93/12/77/951931277.db2.gz QCMRDXIAAAPQKC-UHFFFAOYSA-N -1 0 305.290 -0.386 20 0 DBADRM O=C([O-])COCCNC(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC001595113852 951931315 /nfs/dbraw/zinc/93/13/15/951931315.db2.gz PPLFBDXTIILFQK-GXFFZTMASA-N -1 0 302.327 -0.275 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CC[C@@]12CCOC2 ZINC001595114124 951934021 /nfs/dbraw/zinc/93/40/21/951934021.db2.gz QRQCANILTSIPTA-ZDUSSCGKSA-N -1 0 302.327 -0.321 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1cncc2[nH]cnc21 ZINC001595117030 951948063 /nfs/dbraw/zinc/94/80/63/951948063.db2.gz WVTYOKPBYGHXAA-UHFFFAOYSA-N -1 0 308.294 -0.195 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N2C[C@@H](CO)[C@H](CO)C2)cc1 ZINC001595118304 951954389 /nfs/dbraw/zinc/95/43/89/951954389.db2.gz ZTAFTDNLMMIXIL-RYUDHWBXSA-N -1 0 309.318 -0.177 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CC[C@H](Nc2ncccn2)C1 ZINC001595123508 951986635 /nfs/dbraw/zinc/98/66/35/951986635.db2.gz FXQRZFTWCKLPEP-JTQLQIEISA-N -1 0 314.367 -0.538 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC001595123753 951990084 /nfs/dbraw/zinc/99/00/84/951990084.db2.gz BXARGXAVLKODRZ-APPZFPTMSA-N -1 0 319.301 -0.127 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCN(C(=O)C2CC2)CC1 ZINC001595124474 951999847 /nfs/dbraw/zinc/99/98/47/951999847.db2.gz SDAXYXAQKJORGT-UHFFFAOYSA-N -1 0 304.368 -0.960 20 0 DBADRM O=C([O-])CS(=O)(=O)CCSc1nnc(CO)n1C1CC1 ZINC001595124983 952006633 /nfs/dbraw/zinc/00/66/33/952006633.db2.gz JFOLIMNIAQZVSA-UHFFFAOYSA-N -1 0 321.380 -0.303 20 0 DBADRM O=C([O-])CSCC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001595126059 952013809 /nfs/dbraw/zinc/01/38/09/952013809.db2.gz AKQSLKAKIAISMO-LLVKDONJSA-N -1 0 323.392 -0.780 20 0 DBADRM O=C([O-])CSCC(=O)NCCN1CCC2(C1)OCCO2 ZINC001595126771 952016171 /nfs/dbraw/zinc/01/61/71/952016171.db2.gz CPMMAAIIVNYVIE-UHFFFAOYSA-N -1 0 304.368 -0.631 20 0 DBADRM C[C@@H](C[S@](C)=O)NS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000382027337 971796068 /nfs/dbraw/zinc/79/60/68/971796068.db2.gz QUMYQACGONJPQQ-VIIUKITBSA-N -1 0 306.365 -0.175 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N(CCCO)Cc2ccccn2)nn1 ZINC001595139743 952071352 /nfs/dbraw/zinc/07/13/52/952071352.db2.gz CLRMBIDRVHGVMX-UHFFFAOYSA-N -1 0 319.321 -0.218 20 0 DBADRM O=C([O-])Cn1cc(-c2noc(C[C@H]3CCCO3)n2)c(=O)[nH]c1=O ZINC001595140312 952073863 /nfs/dbraw/zinc/07/38/63/952073863.db2.gz QBKWHUQANRLHSB-SSDOTTSWSA-N -1 0 322.277 -0.195 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)nn1 ZINC001595142406 952089962 /nfs/dbraw/zinc/08/99/62/952089962.db2.gz KQGVCNVXJBKJDO-UHFFFAOYSA-N -1 0 307.310 -0.943 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@@H]2CN(c3ccccc3)C2=O)nn1 ZINC001595142425 952091437 /nfs/dbraw/zinc/09/14/37/952091437.db2.gz MJTZXAWKLOFLME-LLVKDONJSA-N -1 0 315.289 -0.492 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCc3n[nH]c(=O)cc3C2)nn1 ZINC001595142530 952092144 /nfs/dbraw/zinc/09/21/44/952092144.db2.gz MXEPJOWQXXKZAI-UHFFFAOYSA-N -1 0 304.266 -0.943 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@H]2CCN(CC(F)F)C2)nn1 ZINC001595142531 952092877 /nfs/dbraw/zinc/09/28/77/952092877.db2.gz ONHMOEOPPMSTNU-ZETCQYMHSA-N -1 0 303.269 -0.568 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)nn1 ZINC001595143249 952098634 /nfs/dbraw/zinc/09/86/34/952098634.db2.gz XMSXPVDBSJKQRP-NKWVEPMBSA-N -1 0 322.243 -0.395 20 0 DBADRM O=C([O-])Cn1cc(C(=O)OCC(=O)N2CCCCCC2)nn1 ZINC001595144925 952108253 /nfs/dbraw/zinc/10/82/53/952108253.db2.gz OESJEHLEINFLRO-UHFFFAOYSA-N -1 0 310.310 -0.078 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CC([C@H]3CCOC3)C2)n1 ZINC001595147703 952121377 /nfs/dbraw/zinc/12/13/77/952121377.db2.gz KBGABSJSZWRMFG-VIFPVBQESA-N -1 0 322.321 -0.599 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)CNC(=O)c2ccncc2)cn1 ZINC001595148535 952127080 /nfs/dbraw/zinc/12/70/80/952127080.db2.gz KVQYUPOKRZKXRN-UHFFFAOYSA-N -1 0 303.278 -0.269 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)C[C@H]2CCCS2(=O)=O)cn1 ZINC001595148611 952128567 /nfs/dbraw/zinc/12/85/67/952128567.db2.gz QZYJXDBGGBYXKC-SECBINFHSA-N -1 0 301.324 -0.127 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CC3(C2)CCCO3)n1 ZINC001595148786 952130440 /nfs/dbraw/zinc/13/04/40/952130440.db2.gz ZPAYQWUNKYRNTR-UHFFFAOYSA-N -1 0 308.294 -0.702 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2O)n1 ZINC001595151069 952132199 /nfs/dbraw/zinc/13/21/99/952132199.db2.gz CSACETDOICHGCX-IUCAKERBSA-N -1 0 310.310 -0.674 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1C[C@@H]1C ZINC001575140678 952144277 /nfs/dbraw/zinc/14/42/77/952144277.db2.gz FEKARMNWMZVNQM-GUBZILKMSA-N -1 0 316.369 -0.007 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@H](CCO)C(F)(F)F)c1=O ZINC001595154494 952158511 /nfs/dbraw/zinc/15/85/11/952158511.db2.gz NKOYBIDEQWSLRX-QMMMGPOBSA-N -1 0 322.239 -0.024 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCc2ccc(O)nn2)c1=O ZINC001595157114 952172110 /nfs/dbraw/zinc/17/21/10/952172110.db2.gz ZUXCCHGHUSBMHX-UHFFFAOYSA-N -1 0 304.262 -0.642 20 0 DBADRM O=C([O-])[C@@H]1CCCN(c2nnnn2CCCN2CCCC2=O)C1 ZINC001595164986 952207024 /nfs/dbraw/zinc/20/70/24/952207024.db2.gz ZNSRYUASZJPNEB-LLVKDONJSA-N -1 0 322.369 -0.013 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H](n2cncn2)C1 ZINC001595168393 952213627 /nfs/dbraw/zinc/21/36/27/952213627.db2.gz JHLGQTRFJLASCV-ZJUUUORDSA-N -1 0 315.355 -0.681 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC[C@H](C2OCCO2)C1 ZINC001595168431 952214590 /nfs/dbraw/zinc/21/45/90/952214590.db2.gz NLQPCIDUJDUAGO-UWVGGRQHSA-N -1 0 320.367 -0.525 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCN(C(=O)C2CC2)C1 ZINC001595168558 952215711 /nfs/dbraw/zinc/21/57/11/952215711.db2.gz YMCCSKHKJMAGAY-JTQLQIEISA-N -1 0 317.367 -0.708 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001595169100 952217008 /nfs/dbraw/zinc/21/70/08/952217008.db2.gz IOLRFXVZWJZFGY-KXNHARMFSA-N -1 0 318.395 -0.127 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCc1nncn1C1CC1 ZINC001595169400 952219409 /nfs/dbraw/zinc/21/94/09/952219409.db2.gz RMKGFZDBFSECQR-VIFPVBQESA-N -1 0 315.355 -0.504 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001595173275 952228399 /nfs/dbraw/zinc/22/83/99/952228399.db2.gz UZYRTACLERIWDJ-ZRUFSTJUSA-N -1 0 301.364 -0.010 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC001595173279 952228524 /nfs/dbraw/zinc/22/85/24/952228524.db2.gz VHZMZLXSUKXSLZ-ZDCRXTMVSA-N -1 0 317.363 -0.488 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCO[C@H](CN2CCOCC2)C1 ZINC001595179357 952246763 /nfs/dbraw/zinc/24/67/63/952246763.db2.gz VDFKFZQTNAJGLN-JHJVBQTASA-N -1 0 312.366 -0.343 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)NCCCn2ccc(=O)[nH]c2=O)C1 ZINC001595196348 952300513 /nfs/dbraw/zinc/30/05/13/952300513.db2.gz YTWHBYFKBHCCJY-JTQLQIEISA-N -1 0 324.337 -0.155 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@H](N3CCOCC3)C2)O1 ZINC000382551000 971820922 /nfs/dbraw/zinc/82/09/22/971820922.db2.gz VZEUOSMQRWQVME-XQQFMLRXSA-N -1 0 312.366 -0.058 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)[nH]n1 ZINC001595206697 952331551 /nfs/dbraw/zinc/33/15/51/952331551.db2.gz GMVHKTYKWIKNRU-UWVGGRQHSA-N -1 0 308.294 -0.773 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC(CN3CCNC3=O)CC2)[nH]n1 ZINC001595207233 952337235 /nfs/dbraw/zinc/33/72/35/952337235.db2.gz RRSUQIOOSVGBAU-UHFFFAOYSA-N -1 0 321.337 -0.015 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001593353676 953351659 /nfs/dbraw/zinc/35/16/59/953351659.db2.gz BLGCOWRDYSDSQG-UHFFFAOYSA-N -1 0 316.379 -0.099 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001593353863 953352277 /nfs/dbraw/zinc/35/22/77/953352277.db2.gz JIOUCVMJOHJBDC-LBPRGKRZSA-N -1 0 322.383 -0.592 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CC(=O)[O-])CC1 ZINC001593354293 953354652 /nfs/dbraw/zinc/35/46/52/953354652.db2.gz YZNABBNWAJMJRJ-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593355348 953357854 /nfs/dbraw/zinc/35/78/54/953357854.db2.gz XMWRKXPFCZRYRR-VHSXEESVSA-N -1 0 306.384 -0.067 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)C1(C(=O)[O-])CCOCC1 ZINC001593355382 953358570 /nfs/dbraw/zinc/35/85/70/953358570.db2.gz YYKYCRJNEDOIKU-UHFFFAOYSA-N -1 0 322.383 -0.687 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001593355363 953358644 /nfs/dbraw/zinc/35/86/44/953358644.db2.gz YBTXBFWJEDWDKY-SSDOTTSWSA-N -1 0 304.328 -0.766 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001593355370 953358739 /nfs/dbraw/zinc/35/87/39/953358739.db2.gz YIOFCKMQQUOLSM-BBBLOLIVSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NC[C@H]2COCCO2)C1 ZINC001589266425 953372771 /nfs/dbraw/zinc/37/27/71/953372771.db2.gz RTLNVDIEYCUGCE-MXWKQRLJSA-N -1 0 314.338 -0.913 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@H]2CCc3nnnn3CC2)CCOCC1 ZINC001594743060 953373735 /nfs/dbraw/zinc/37/37/35/953373735.db2.gz QVOKQQDNHIFFSQ-JTQLQIEISA-N -1 0 323.353 -0.377 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC001589268280 953383016 /nfs/dbraw/zinc/38/30/16/953383016.db2.gz IQZMHZIEMVTITQ-IUCAKERBSA-N -1 0 304.368 -0.553 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CCN2CCCS2(=O)=O)C1 ZINC001589268734 953388947 /nfs/dbraw/zinc/38/89/47/953388947.db2.gz IXJRGWKROBZYKT-QWRGUYRKSA-N -1 0 318.395 -0.019 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)NC[C@@H]2COCCO2)CC1 ZINC001594750827 953429430 /nfs/dbraw/zinc/42/94/30/953429430.db2.gz KEGMQSMUFPWPER-VQXHTEKXSA-N -1 0 314.338 -0.722 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC[C@H]2CC(C(N)=O)=NO2)C1 ZINC001589273902 953441021 /nfs/dbraw/zinc/44/10/21/953441021.db2.gz JAPOLGWJJIAUFZ-IWSPIJDZSA-N -1 0 312.326 -0.631 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCN2CCNC(=O)C2)C1 ZINC001589274773 953455116 /nfs/dbraw/zinc/45/51/16/953455116.db2.gz XOMRJKWUBVWSNG-QWRGUYRKSA-N -1 0 312.370 -0.830 20 0 DBADRM O=C([O-])C1(C(=O)NCCNC(=O)c2cnccn2)CC=CC1 ZINC001594757936 953477772 /nfs/dbraw/zinc/47/77/72/953477772.db2.gz FBFNGGFTWYNFNN-UHFFFAOYSA-N -1 0 304.306 -0.256 20 0 DBADRM O=C([O-])C1(C(=O)NCCNC(=O)c2ccn[nH]2)CCOCC1 ZINC001594758251 953484412 /nfs/dbraw/zinc/48/44/12/953484412.db2.gz MSZIPDBSHLZQCF-UHFFFAOYSA-N -1 0 310.310 -0.863 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC001593614822 953494497 /nfs/dbraw/zinc/49/44/97/953494497.db2.gz NPCHDTRDJSBSOQ-JTQLQIEISA-N -1 0 318.293 -0.420 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)NCCO[C@H]2CCOC2)C1 ZINC001594758906 953495660 /nfs/dbraw/zinc/49/56/60/953495660.db2.gz PIWSLLIJIGNYIU-QWRGUYRKSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C(NCC1SCCS1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594761744 953502082 /nfs/dbraw/zinc/50/20/82/953502082.db2.gz ILAKWWJOAMAWRE-KNVOCYPGSA-N -1 0 304.393 -0.112 20 0 DBADRM CC[C@H](NC(=O)[C@H](CO)NC(=O)c1cccc(F)n1)C(=O)[O-] ZINC001593620916 953526986 /nfs/dbraw/zinc/52/69/86/953526986.db2.gz MTRSIQTZWGWTOW-CBAPKCEASA-N -1 0 313.285 -0.709 20 0 DBADRM O=C([O-])[C@H]1CC(C(=O)NC[C@@H](O)CO)=NN1c1ccccc1 ZINC001594766064 953532284 /nfs/dbraw/zinc/53/22/84/953532284.db2.gz HTWNFTFCSHHSGT-ZYHUDNBSSA-N -1 0 307.306 -0.825 20 0 DBADRM CC[C@H](NC(=O)c1nc(S(C)(=O)=O)ncc1C)C(=O)[O-] ZINC001593623169 953538400 /nfs/dbraw/zinc/53/84/00/953538400.db2.gz PKUNICCHJBNEBG-ZETCQYMHSA-N -1 0 301.324 -0.218 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(Cn2nnc3c(cnn3C)c2=O)C1 ZINC001589282696 953538532 /nfs/dbraw/zinc/53/85/32/953538532.db2.gz WJHYLPFISNNDGQ-IUCAKERBSA-N -1 0 306.326 -0.475 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nnnn2C[C@H]2COCCO2)C1 ZINC001589285193 953558729 /nfs/dbraw/zinc/55/87/29/953558729.db2.gz SSLLLUBNUZOIER-VWYCJHECSA-N -1 0 311.342 -0.365 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1C[C@H](C)C[C@@H](CO)C1)C(=O)[O-] ZINC001589285822 953568372 /nfs/dbraw/zinc/56/83/72/953568372.db2.gz GZYZRVQCXJBBJI-OUAUKWLOSA-N -1 0 300.355 -0.358 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCc2cnn(CCF)c2)C1 ZINC001594776917 953591869 /nfs/dbraw/zinc/59/18/69/953591869.db2.gz HXXDLHRDYYQBFU-JTQLQIEISA-N -1 0 312.301 -0.598 20 0 DBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1CCS(=O)(=O)CC(=O)[O-] ZINC001589290682 953598543 /nfs/dbraw/zinc/59/85/43/953598543.db2.gz YAIDUPLSGUACMF-VXGBXAGGSA-N -1 0 320.411 -0.719 20 0 DBADRM C[C@@H]1C[C@@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])c2ncnn21 ZINC001589291273 953599954 /nfs/dbraw/zinc/59/99/54/953599954.db2.gz BIYQLWMBEVZXIA-HLTSFMKQSA-N -1 0 315.355 -0.333 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCc2nccn2C(F)F)C1 ZINC001594778108 953608594 /nfs/dbraw/zinc/60/85/94/953608594.db2.gz ZFZLFTLRKPKDLK-ZETCQYMHSA-N -1 0 316.264 -0.173 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)NCCOCCOCC(=O)[O-])CCO1 ZINC001589293394 953620918 /nfs/dbraw/zinc/62/09/18/953620918.db2.gz NNAMHOSRVIFTRY-GHMZBOCLSA-N -1 0 304.343 -0.029 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H]2C(=O)[O-])o1 ZINC000384625287 971945121 /nfs/dbraw/zinc/94/51/21/971945121.db2.gz LXGOVTPLKFKTJI-ZETCQYMHSA-N -1 0 302.308 -0.171 20 0 DBADRM C[C@@H]1C[C@H](c2nc(-c3cn(CC(=O)[O-])c(=O)[nH]c3=O)no2)CO1 ZINC001589294157 953628219 /nfs/dbraw/zinc/62/82/19/953628219.db2.gz FGXFWRQEWQHULI-RQJHMYQMSA-N -1 0 322.277 -0.024 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C(=O)O1 ZINC001589294489 953633595 /nfs/dbraw/zinc/63/35/95/953633595.db2.gz XUCZHWHCCWPYIP-HTQZYQBOSA-N -1 0 319.335 -0.914 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC001594792578 953695547 /nfs/dbraw/zinc/69/55/47/953695547.db2.gz NSZRHBUMKGCICK-RNJXMRFFSA-N -1 0 306.265 -0.806 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001589303757 953717194 /nfs/dbraw/zinc/71/71/94/953717194.db2.gz CMSDBXWFOCZTSL-JFGNBEQYSA-N -1 0 311.338 -0.438 20 0 DBADRM CCc1nnc(C(=O)NCCOCCOCC(=O)[O-])s1 ZINC001593654408 953737575 /nfs/dbraw/zinc/73/75/75/953737575.db2.gz FVZNVSDNBWILCF-UHFFFAOYSA-N -1 0 303.340 -0.052 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001593654652 953740305 /nfs/dbraw/zinc/74/03/05/953740305.db2.gz PBCDLDGKKLGGHX-VIFPVBQESA-N -1 0 303.340 -0.543 20 0 DBADRM CCn1c(N)c(C(=O)CN([C@H](C)C(=O)[O-])C2CC2)c(=O)[nH]c1=O ZINC001593659837 953787392 /nfs/dbraw/zinc/78/73/92/953787392.db2.gz ILWRBGISGJLWJA-SSDOTTSWSA-N -1 0 324.337 -0.329 20 0 DBADRM C[C@H]1CC[C@H](CNC(=O)NCCOCCOCC(=O)[O-])O1 ZINC001589312602 953804079 /nfs/dbraw/zinc/80/40/79/953804079.db2.gz ZQQWLJBDTVZOSS-WDEREUQCSA-N -1 0 304.343 -0.029 20 0 DBADRM CCn1cc(-c2nn(C)cc2C(=O)NC[C@](C)(O)C(=O)[O-])cn1 ZINC001593664704 953820090 /nfs/dbraw/zinc/82/00/90/953820090.db2.gz JRZSJXXWBHSHDA-AWEZNQCLSA-N -1 0 321.337 -0.131 20 0 DBADRM CCn1cc(CNC(=O)c2cc(C(=O)[O-])nn2C)c(=O)[nH]c1=O ZINC001593664959 953825275 /nfs/dbraw/zinc/82/52/75/953825275.db2.gz FYWZLTDUEOFQJO-UHFFFAOYSA-N -1 0 321.293 -0.670 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CO ZINC001594811710 953834083 /nfs/dbraw/zinc/83/40/83/953834083.db2.gz IDNBSBVXCUEBNC-RKDXNWHRSA-N -1 0 307.306 -0.005 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC001594811870 953836906 /nfs/dbraw/zinc/83/69/06/953836906.db2.gz OJYNOBXHBOVNND-DTORHVGOSA-N -1 0 305.290 -0.177 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CC(O)(C2CC2)C1 ZINC001594812063 953840764 /nfs/dbraw/zinc/84/07/64/953840764.db2.gz UBOVHLNRSKDVLA-UHFFFAOYSA-N -1 0 305.290 -0.298 20 0 DBADRM CCn1cc(NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)cn1 ZINC001593665772 953841205 /nfs/dbraw/zinc/84/12/05/953841205.db2.gz NKXYCBDLBWZHHU-UHFFFAOYSA-N -1 0 306.282 -0.239 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001589320948 953872801 /nfs/dbraw/zinc/87/28/01/953872801.db2.gz YZTLDPGNXCDLIV-VHSXEESVSA-N -1 0 312.322 -0.526 20 0 DBADRM CCn1nncc1CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593673971 953897912 /nfs/dbraw/zinc/89/79/12/953897912.db2.gz IUVORPZNHDUMIX-SNVBAGLBSA-N -1 0 309.326 -0.763 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC001593674574 953904492 /nfs/dbraw/zinc/90/44/92/953904492.db2.gz UZISGIWONCQVGR-PWSUYJOCSA-N -1 0 309.366 -0.385 20 0 DBADRM CN(C(=O)C(=O)NCC1(C(=O)[O-])CCOCC1)[C@H]1CCOC1 ZINC001593674713 953907226 /nfs/dbraw/zinc/90/72/26/953907226.db2.gz XRKHBRMEIVATIX-JTQLQIEISA-N -1 0 314.338 -0.769 20 0 DBADRM CN(C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)C1CS(=O)(=O)C1 ZINC001593675172 953915582 /nfs/dbraw/zinc/91/55/82/953915582.db2.gz NKWKQBZHKBHLNM-WCBMZHEXSA-N -1 0 305.352 -0.488 20 0 DBADRM CN(C(=O)C1(CC(=O)[O-])CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001593675364 953918110 /nfs/dbraw/zinc/91/81/10/953918110.db2.gz UBVHGCKNOIYZAT-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CCCC23OCCO3)CC1 ZINC001594825062 953933678 /nfs/dbraw/zinc/93/36/78/953933678.db2.gz AEASLGPVXVCMPB-JTQLQIEISA-N -1 0 312.322 -0.715 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2Cc3cccnc3C2)CC1 ZINC001594825275 953935585 /nfs/dbraw/zinc/93/55/85/953935585.db2.gz FUJKYFBIFUSYSF-NSHDSACASA-N -1 0 303.318 -0.448 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2CCn3cncc3C2)CC1 ZINC001594825975 953939754 /nfs/dbraw/zinc/93/97/54/953939754.db2.gz STMDUADMOVXTRC-JTQLQIEISA-N -1 0 306.322 -0.799 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)/C=C\c2cncc(O)c2)CC1 ZINC001594825997 953939885 /nfs/dbraw/zinc/93/98/85/953939885.db2.gz URTIXPCMPGIRBQ-UPHRSURJSA-N -1 0 305.290 -0.444 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cc3cccnc3[nH]2)CC1 ZINC001594826699 953943775 /nfs/dbraw/zinc/94/37/75/953943775.db2.gz JPYKUNSSPXTYMJ-UHFFFAOYSA-N -1 0 302.290 -0.068 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)Nc2ccnc(OCCO)c2)CCOC1 ZINC001594827304 953945575 /nfs/dbraw/zinc/94/55/75/953945575.db2.gz RXUAFXXNVWPCGR-CYBMUJFWSA-N -1 0 311.294 -0.182 20 0 DBADRM C[C@H]1CCCc2nc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cn21 ZINC001589332207 953949847 /nfs/dbraw/zinc/94/98/47/953949847.db2.gz CZTIQTDPMDWYTR-QPUJVOFHSA-N -1 0 317.367 -0.106 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]23CCOC3)C[C@@H]1C(=O)[O-] ZINC001589332256 953951427 /nfs/dbraw/zinc/95/14/27/953951427.db2.gz DQSFDDZTKYJBRR-ZETOZRRWSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(CCO)C2CCC2)C[C@H]1C(=O)[O-] ZINC001589332657 953955445 /nfs/dbraw/zinc/95/54/45/953955445.db2.gz OTEDLYRAMFRADG-ZYHUDNBSSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001593681348 953955569 /nfs/dbraw/zinc/95/55/69/953955569.db2.gz HHCKYJGYNWTYGF-YWVKMMECSA-N -1 0 311.338 -0.021 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC001594828329 953957202 /nfs/dbraw/zinc/95/72/02/953957202.db2.gz VIANSUNKCFWJTC-ZIAGYGMSSA-N -1 0 322.361 -0.300 20 0 DBADRM O=C([O-])C(=O)NC[C@@]1(CO)COCCN1Cc1ccccc1 ZINC001594828666 953959386 /nfs/dbraw/zinc/95/93/86/953959386.db2.gz ZGXLXMPZCRJOQE-OAHLLOKOSA-N -1 0 308.334 -0.549 20 0 DBADRM CN(C(=O)c1cc(C(=O)[O-])nn1C)[C@@H]1CCS(=O)(=O)C1 ZINC001593682962 953973587 /nfs/dbraw/zinc/97/35/87/953973587.db2.gz QCJZEIFMVZJHNJ-SSDOTTSWSA-N -1 0 301.324 -0.623 20 0 DBADRM CN(C)C(=O)CCCNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001593683883 953979767 /nfs/dbraw/zinc/97/97/67/953979767.db2.gz KMDNPVTYTRVYSS-SNVBAGLBSA-N -1 0 313.354 -0.706 20 0 DBADRM CN(C)C(=O)CCCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593684475 953985674 /nfs/dbraw/zinc/98/56/74/953985674.db2.gz WYAIWKWWKUJBDR-JTQLQIEISA-N -1 0 313.354 -0.706 20 0 DBADRM C[C@H]1CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C[C@H]1O ZINC001589335167 953987448 /nfs/dbraw/zinc/98/74/48/953987448.db2.gz CPZARUUBKNVVQV-VHSXEESVSA-N -1 0 319.379 -0.505 20 0 DBADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1 ZINC001593686748 953992216 /nfs/dbraw/zinc/99/22/16/953992216.db2.gz GHQQODBTTPFDFX-QMMMGPOBSA-N -1 0 309.326 -0.016 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(CN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC001593687166 953995819 /nfs/dbraw/zinc/99/58/19/953995819.db2.gz OGFJPLYFZHXAQX-GHMZBOCLSA-N -1 0 312.370 -0.387 20 0 DBADRM CN(C)C(=O)O[C@H]1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001593687546 953998649 /nfs/dbraw/zinc/99/86/49/953998649.db2.gz WROCQSQTJDUICI-ZANVPECISA-N -1 0 300.311 -0.081 20 0 DBADRM CN(C)C(=O)O[C@@H]1CCCN(C(=O)NCCOCC(=O)[O-])C1 ZINC001593687750 954001717 /nfs/dbraw/zinc/00/17/17/954001717.db2.gz XREKRBNIKHMQJA-SNVBAGLBSA-N -1 0 317.342 -0.040 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCCc2nnnn2C)C[C@H]1C(=O)[O-] ZINC001589341347 954025257 /nfs/dbraw/zinc/02/52/57/954025257.db2.gz XGMIATSZOACIET-NXEZZACHSA-N -1 0 310.358 -0.105 20 0 DBADRM C[C@H]1CCN(C(=O)c2nc(N)nc(N(C)C)n2)C[C@@H]1C(=O)[O-] ZINC001589351198 954080794 /nfs/dbraw/zinc/08/07/94/954080794.db2.gz SMUDBCKKBLWCAZ-YUMQZZPRSA-N -1 0 308.342 -0.297 20 0 DBADRM CN(C)CCN(C(=O)CCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001593697695 954086654 /nfs/dbraw/zinc/08/66/54/954086654.db2.gz WKRDGLGPQDHIOR-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM CN(C)CCN(CC(=O)[O-])C(=O)C[C@@H]1CCCS1(=O)=O ZINC001593699191 954095310 /nfs/dbraw/zinc/09/53/10/954095310.db2.gz JHTWGUQHLONIKD-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)C[C@@H]2CN(C)CCO2)C[C@H]1C(=O)[O-] ZINC001589355221 954125447 /nfs/dbraw/zinc/12/54/47/954125447.db2.gz HEDOGAGPBBBHGL-GRYCIOLGSA-N -1 0 320.411 -0.311 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)CCN2CCOC2=O)C[C@@H]1C(=O)[O-] ZINC001589355613 954135578 /nfs/dbraw/zinc/13/55/78/954135578.db2.gz PFDGMEXWYSHPHQ-ZJUUUORDSA-N -1 0 320.367 -0.189 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001593704216 954146606 /nfs/dbraw/zinc/14/66/06/954146606.db2.gz QKENNRTUWNADEJ-UHFFFAOYSA-N -1 0 316.379 -0.052 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593707951 954156289 /nfs/dbraw/zinc/15/62/89/954156289.db2.gz CVALJTFVVZMVMV-BDAKNGLRSA-N -1 0 307.372 -0.906 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)NCCC(C)(C)C(=O)[O-] ZINC001593708182 954157536 /nfs/dbraw/zinc/15/75/36/954157536.db2.gz JDRCVBRNKYJNPF-UHFFFAOYSA-N -1 0 309.388 -0.658 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)NCc1ccccc1C(=O)[O-] ZINC001593708410 954160906 /nfs/dbraw/zinc/16/09/06/954160906.db2.gz YTWIVNUFRVCSQU-UHFFFAOYSA-N -1 0 315.351 -0.603 20 0 DBADRM O=C([O-])C1(C(=O)N2CCO[C@H](CN3CCOCC3)C2)CC=CC1 ZINC001594848791 954163527 /nfs/dbraw/zinc/16/35/27/954163527.db2.gz BQOBMRARJPGGGN-CYBMUJFWSA-N -1 0 324.377 -0.033 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)CCCO1 ZINC001594849600 954169838 /nfs/dbraw/zinc/16/98/38/954169838.db2.gz CPBYBAYJOYNFAW-FZMZJTMJSA-N -1 0 324.337 -0.432 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC[C@H](O)C2)CCS(=O)(=O)CC1 ZINC001594850673 954182420 /nfs/dbraw/zinc/18/24/20/954182420.db2.gz MSOMNCJOVNGFSB-VIFPVBQESA-N -1 0 305.352 -0.751 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](O)[C@@H](F)C2)CC[C@H]1C(=O)[O-] ZINC001589365606 954188363 /nfs/dbraw/zinc/18/83/63/954188363.db2.gz RCZKAEOYZDGYPV-ZNSHCXBVSA-N -1 0 316.329 -0.513 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@@]1(C)CO ZINC001589365886 954191930 /nfs/dbraw/zinc/19/19/30/954191930.db2.gz AFXKIEHQHCXAAZ-XPTSAGLGSA-N -1 0 324.337 -0.617 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)CC[C@@H]1C(=O)[O-] ZINC001589366412 954199409 /nfs/dbraw/zinc/19/94/09/954199409.db2.gz NMDUXXOMAJGRQZ-ONGXEEELSA-N -1 0 321.333 -0.107 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCC[S@@](C)=O)CC[C@@H]1C(=O)[O-] ZINC001589367373 954206811 /nfs/dbraw/zinc/20/68/11/954206811.db2.gz WCNCSEPVSMEESH-SNGHESPRSA-N -1 0 304.368 -0.950 20 0 DBADRM CN(C)c1nc(NC(=O)c2cccn(CC(=O)[O-])c2=O)n[nH]1 ZINC001593715023 954207230 /nfs/dbraw/zinc/20/72/30/954207230.db2.gz DSHJAYLWHVFTEQ-UHFFFAOYSA-N -1 0 306.282 -0.631 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])[C@@H](C)[C@H](C)O1 ZINC001589367771 954208045 /nfs/dbraw/zinc/20/80/45/954208045.db2.gz ZLWLUBIRMXPSPN-UTLUCORTSA-N -1 0 302.327 -0.772 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)Nc2cncc(C(=O)[O-])c2)n1 ZINC001593715812 954219393 /nfs/dbraw/zinc/21/93/93/954219393.db2.gz YREOKUGHUSQRMC-UHFFFAOYSA-N -1 0 303.282 -0.135 20 0 DBADRM CN(CC(=O)N1CCC[C@@]1(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001593716256 954220506 /nfs/dbraw/zinc/22/05/06/954220506.db2.gz BPDVWSVPDOJCGN-MFKMUULPSA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@H]1CN(C(=O)C2(n3cnnn3)CCOCC2)CC[C@H]1C(=O)[O-] ZINC001589373206 954224820 /nfs/dbraw/zinc/22/48/20/954224820.db2.gz CBNQJZBHRZKGOV-WDEREUQCSA-N -1 0 323.353 -0.252 20 0 DBADRM CN(CC(=O)[O-])C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1 ZINC001593718507 954232262 /nfs/dbraw/zinc/23/22/62/954232262.db2.gz AHEVIYQZHJLCIG-UHFFFAOYSA-N -1 0 322.317 -0.087 20 0 DBADRM O=C([O-])[C@]1(C(=O)NC[C@H](CO)Cc2cccnc2)CCCO1 ZINC001594856263 954238091 /nfs/dbraw/zinc/23/80/91/954238091.db2.gz RMKFGIAUDHCCLP-IUODEOHRSA-N -1 0 308.334 -0.017 20 0 DBADRM CN(CC(=O)NCc1ccco1)C(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001593719542 954244195 /nfs/dbraw/zinc/24/41/95/954244195.db2.gz VTMVPYTZVGZQKW-AWEZNQCLSA-N -1 0 310.306 -0.012 20 0 DBADRM C[C@H]1CN(C(=O)C2(CC(=O)[O-])CCOCC2)C[C@H](CO)O1 ZINC001589375096 954245682 /nfs/dbraw/zinc/24/56/82/954245682.db2.gz PKHAZNFAZOABLO-WDEREUQCSA-N -1 0 301.339 -0.134 20 0 DBADRM C[C@H]1CN(C(=O)NCCOCCOCC(=O)[O-])CC[C@H]1O ZINC001589375161 954246560 /nfs/dbraw/zinc/24/65/60/954246560.db2.gz DHLBHYUHWISHEB-WDEREUQCSA-N -1 0 304.343 -0.484 20 0 DBADRM C[C@@H]1CN(C(=O)NCCN2CCNC(=O)C2)CC[C@@H]1C(=O)[O-] ZINC001589375183 954248197 /nfs/dbraw/zinc/24/81/97/954248197.db2.gz FEZBDLMGHPAAEO-MNOVXSKESA-N -1 0 312.370 -0.830 20 0 DBADRM O=C([O-])C1(C(=O)NC2CCOCC2)CCS(=O)(=O)CC1 ZINC001594857251 954250484 /nfs/dbraw/zinc/25/04/84/954250484.db2.gz XCTCDCHZXJIMCM-UHFFFAOYSA-N -1 0 305.352 -0.439 20 0 DBADRM CN(CC(=O)[O-])Cc1cn(CC2(CS(C)(=O)=O)CC2)nn1 ZINC001593722357 954258602 /nfs/dbraw/zinc/25/86/02/954258602.db2.gz CJANQXVACKENLD-UHFFFAOYSA-N -1 0 316.383 -0.381 20 0 DBADRM C[C@H]1CN(C(=O)NCC(=O)N=S(C)(C)=O)CC[C@@H]1C(=O)[O-] ZINC001589376847 954265360 /nfs/dbraw/zinc/26/53/60/954265360.db2.gz HGOFIKPYASHVPQ-IUCAKERBSA-N -1 0 319.383 -0.007 20 0 DBADRM C[C@@H]1CN(C(=O)NCCOCCOCC(=O)[O-])C[C@H](C)[C@H]1O ZINC001589376891 954265694 /nfs/dbraw/zinc/26/56/94/954265694.db2.gz WBEVMGDOOLDRRG-PJXYFTJBSA-N -1 0 318.370 -0.238 20 0 DBADRM C[C@H]1CN(C(=O)NCCOCCOCC(=O)[O-])C[C@H](C)C1O ZINC001589376892 954265751 /nfs/dbraw/zinc/26/57/51/954265751.db2.gz WBEVMGDOOLDRRG-QWRGUYRKSA-N -1 0 318.370 -0.238 20 0 DBADRM CN(CC(C)(C)CO)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593724071 954268542 /nfs/dbraw/zinc/26/85/42/954268542.db2.gz KEXIGUFQHIIBJH-SNVBAGLBSA-N -1 0 300.355 -0.214 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@H]2CCCOC2)CCS(=O)(=O)CC1 ZINC001594860060 954270151 /nfs/dbraw/zinc/27/01/51/954270151.db2.gz SRZSCTJMXRTJGP-JTQLQIEISA-N -1 0 319.379 -0.191 20 0 DBADRM O=C([O-])[C@]1(C(=O)NCCN=S2(=O)CCCC2)CCCO1 ZINC001594861096 954276101 /nfs/dbraw/zinc/27/61/01/954276101.db2.gz KQYDKRZCHZXBRG-GFCCVEGCSA-N -1 0 304.368 -0.002 20 0 DBADRM O=C([O-])C1(C(=O)NCc2c[nH]cn2)CCS(=O)(=O)CC1 ZINC001594863139 954293685 /nfs/dbraw/zinc/29/36/85/954293685.db2.gz VUTHJANYSYUNHO-UHFFFAOYSA-N -1 0 301.324 -0.695 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001593728207 954297791 /nfs/dbraw/zinc/29/77/91/954297791.db2.gz CPWLBOZRYKGNNZ-JOYOIKCWSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])C1(C(=O)NN2CCS(=O)(=O)CC2)CCCCC1 ZINC001594864732 954312155 /nfs/dbraw/zinc/31/21/55/954312155.db2.gz MUUOJHPAPXEHOM-UHFFFAOYSA-N -1 0 304.368 -0.217 20 0 DBADRM CN(C[C@H]1CCOC1)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593729973 954312167 /nfs/dbraw/zinc/31/21/67/954312167.db2.gz RHEBHTLDKNGYQI-SNVBAGLBSA-N -1 0 319.379 -0.239 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC001593732660 954324997 /nfs/dbraw/zinc/32/49/97/954324997.db2.gz FSGTVNQIHOPFJS-UHFFFAOYSA-N -1 0 321.289 -0.111 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)NCc1nnc2n1CCNC2=O ZINC001593745036 954378626 /nfs/dbraw/zinc/37/86/26/954378626.db2.gz YXSAMYRSJMPLIY-UHFFFAOYSA-N -1 0 310.314 -0.972 20 0 DBADRM C[C@@H]1OCC[C@]12CN(CCS(=O)(=O)CC(=O)[O-])C[C@@H](C)O2 ZINC001589399318 954401968 /nfs/dbraw/zinc/40/19/68/954401968.db2.gz CWFFQJQXCMXFMT-MDZLAQPJSA-N -1 0 321.395 -0.246 20 0 DBADRM CN(CCNC(=O)c1cn(CC(=O)[O-])nn1)CC(F)(F)F ZINC001593750560 954403069 /nfs/dbraw/zinc/40/30/69/954403069.db2.gz BGKSBMRLGOIHJJ-UHFFFAOYSA-N -1 0 309.248 -0.413 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001593750643 954404487 /nfs/dbraw/zinc/40/44/87/954404487.db2.gz DUGPUWIAHGGQKS-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM CN(CCCn1ccnc1)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593750680 954404777 /nfs/dbraw/zinc/40/47/77/954404777.db2.gz GJPNEQFTZOWALU-XYPYZODXSA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@@H]1CN(CCS(=O)(=O)CC(=O)[O-])CCN1CC(C)(C)O ZINC001589399734 954408461 /nfs/dbraw/zinc/40/84/61/954408461.db2.gz IHJYOAZKYOCCCU-LLVKDONJSA-N -1 0 322.427 -0.737 20 0 DBADRM CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001593756716 954457716 /nfs/dbraw/zinc/45/77/16/954457716.db2.gz DDNYIKSIFTUJMY-PHIMTYICSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(c2nnc([C@@H]3CNC(=O)C3)n2C)CC[C@@H]1C(=O)[O-] ZINC001589405253 954460633 /nfs/dbraw/zinc/46/06/33/954460633.db2.gz BCYIEVSBYMYOKO-UTLUCORTSA-N -1 0 307.354 -0.034 20 0 DBADRM CN(Cc1c[nH]cn1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001593757193 954466833 /nfs/dbraw/zinc/46/68/33/954466833.db2.gz UYZZPPKNZVORKM-UHFFFAOYSA-N -1 0 302.356 -0.117 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CC(CO)(c3ccccc3)C2)C1 ZINC001594886387 954467607 /nfs/dbraw/zinc/46/76/07/954467607.db2.gz VMOARIUNBDTFLA-GFCCVEGCSA-N -1 0 304.302 -0.012 20 0 DBADRM C[C@@H]1COC[C@H]1NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589408107 954482415 /nfs/dbraw/zinc/48/24/15/954482415.db2.gz FCESBLLPFYQONZ-GMTAPVOTSA-N -1 0 313.354 -0.214 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(C(=O)[O-])nn1C ZINC001589408278 954485161 /nfs/dbraw/zinc/48/51/61/954485161.db2.gz CIDIEHJMXZYOIL-ZETCQYMHSA-N -1 0 301.324 -0.623 20 0 DBADRM C[C@@H]1COCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589408949 954498344 /nfs/dbraw/zinc/49/83/44/954498344.db2.gz POZNFPRNZVEUDJ-ZJUUUORDSA-N -1 0 324.337 -0.305 20 0 DBADRM C[C@@H]1COCC[C@H]1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC001589409098 954501260 /nfs/dbraw/zinc/50/12/60/954501260.db2.gz QXJLPPDDOVIRNB-NXEZZACHSA-N -1 0 307.368 -0.035 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)CN[C@H](C(=O)[O-])c1ccnn1C ZINC001593764497 954503306 /nfs/dbraw/zinc/50/33/06/954503306.db2.gz NRWBMQNCDXAWIZ-ZDUSSCGKSA-N -1 0 320.353 -0.473 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC001594889651 954505535 /nfs/dbraw/zinc/50/55/35/954505535.db2.gz LIWUWOVYYHHMLB-VIFPVBQESA-N -1 0 302.250 -0.170 20 0 DBADRM CN(Cc1ncnn1CC(F)F)C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001593764758 954505709 /nfs/dbraw/zinc/50/57/09/954505709.db2.gz AFEFGMOEBCCUBE-SSDOTTSWSA-N -1 0 317.252 -0.269 20 0 DBADRM CN(Cc1nncn1C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593764783 954505763 /nfs/dbraw/zinc/50/57/63/954505763.db2.gz CQKMUHOAONLLMP-VIFPVBQESA-N -1 0 309.326 -0.903 20 0 DBADRM CN(Cc1nccn1C)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001593764765 954505935 /nfs/dbraw/zinc/50/59/35/954505935.db2.gz ATNWACVXWUHOMN-CQSZACIVSA-N -1 0 308.338 -0.298 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCCCOC[C@H]2CCCO2)C1 ZINC001594890532 954517039 /nfs/dbraw/zinc/51/70/39/954517039.db2.gz JBDUXBIXDWTGNS-KOLCDFICSA-N -1 0 300.311 -0.082 20 0 DBADRM CN1C(=O)C[C@H](NC(=O)c2cccc(OCC(=O)[O-])c2)C1=O ZINC001593767011 954527782 /nfs/dbraw/zinc/52/77/82/954527782.db2.gz HHQKLDUQCISMLV-JTQLQIEISA-N -1 0 306.274 -0.363 20 0 DBADRM C[C@@H]1N(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCOC1(C)C ZINC001589412376 954528292 /nfs/dbraw/zinc/52/82/92/954528292.db2.gz HIZVROSBYLXNCB-VHSXEESVSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@@H]1NC(=O)N(CCOC(=O)c2ccc(C(=O)[O-])nc2)C1=O ZINC001589413064 954534768 /nfs/dbraw/zinc/53/47/68/954534768.db2.gz OROLXYJXGYRRHW-ZETCQYMHSA-N -1 0 307.262 -0.123 20 0 DBADRM CNC(=O)CNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000385904120 972021392 /nfs/dbraw/zinc/02/13/92/972021392.db2.gz SSFPISCJHLMXCF-UHFFFAOYSA-N -1 0 308.294 -0.632 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593771625 954541735 /nfs/dbraw/zinc/54/17/35/954541735.db2.gz FKAGRQDFQTZOQF-VUCSSKDZSA-N -1 0 312.347 -0.407 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NC2(CO)Cc3ccccc3C2)C1 ZINC001594892091 954542657 /nfs/dbraw/zinc/54/26/57/954542657.db2.gz PPMGIYUNLUISHM-LBPRGKRZSA-N -1 0 304.302 -0.138 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCC[S@@](=O)CC(F)(F)F)C1 ZINC001594892390 954544949 /nfs/dbraw/zinc/54/49/49/954544949.db2.gz TYCKBFXULAXCDD-SXPOAWKSSA-N -1 0 316.257 -0.357 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001589415635 954547947 /nfs/dbraw/zinc/54/79/47/954547947.db2.gz KBIBKFCBQONQIL-QMTHXVAHSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@@H]2COc3ccccc3C2=O)C1 ZINC001594893097 954552103 /nfs/dbraw/zinc/55/21/03/954552103.db2.gz XZGWEZWFYQKIHM-KOLCDFICSA-N -1 0 304.258 -0.024 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCOC[C@@H]2C[C@@H]2CCOC2)C1 ZINC001594893682 954553272 /nfs/dbraw/zinc/55/32/72/954553272.db2.gz WGDITCVOBBJVOQ-NHCYSSNCSA-N -1 0 312.322 -0.130 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC001594893653 954554026 /nfs/dbraw/zinc/55/40/26/954554026.db2.gz VZBRJEYKQWFYQR-CMPLNLGQSA-N -1 0 311.338 -0.461 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)NCCOCCOCC(=O)[O-] ZINC001589417140 954562785 /nfs/dbraw/zinc/56/27/85/954562785.db2.gz NJKFPRBXPIDSJV-VHSXEESVSA-N -1 0 311.356 -0.799 20 0 DBADRM C[C@@H]1c2nncn2CCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001589417368 954566283 /nfs/dbraw/zinc/56/62/83/954566283.db2.gz JLTZCFQTTIIYLQ-RKDXNWHRSA-N -1 0 307.310 -0.886 20 0 DBADRM CN1CC2(CN(C(=O)[C@@H]3CO[C@H](CCC(=O)[O-])C3)C2)OC1=O ZINC001593773850 954571855 /nfs/dbraw/zinc/57/18/55/954571855.db2.gz LEUSFVZBOOKHRH-VHSXEESVSA-N -1 0 312.322 -0.081 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)[C@@H]3CO[C@H](CCC(=O)[O-])C3)C[C@H]2C1=O ZINC001593773853 954572013 /nfs/dbraw/zinc/57/20/13/954572013.db2.gz ITIOKZZQHUTZDN-ZRUFSTJUSA-N -1 0 324.333 -0.671 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC001594897979 954586634 /nfs/dbraw/zinc/58/66/34/954586634.db2.gz DCQGJLNGSDIMLM-ONGXEEELSA-N -1 0 316.379 -0.472 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(c3nnnn3C3CC3)CC2)C1 ZINC001594898585 954593391 /nfs/dbraw/zinc/59/33/91/954593391.db2.gz NQONYZPPWNAYEM-SECBINFHSA-N -1 0 320.353 -0.090 20 0 DBADRM C/C=C/C[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)C(=O)OCC ZINC001589420622 954599686 /nfs/dbraw/zinc/59/96/86/954599686.db2.gz NJXVGTMSMHUGGF-SGRBOOSSSA-N -1 0 310.310 -0.010 20 0 DBADRM CN1CCC2(CCN(CN3C[C@H](C(=O)[O-])CC3=O)CC2)C1=O ZINC001593779678 954627986 /nfs/dbraw/zinc/62/79/86/954627986.db2.gz RNEHWNAOXMZVJQ-LLVKDONJSA-N -1 0 309.366 -0.179 20 0 DBADRM CN1CCC[C@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)C1=O ZINC001593780374 954646571 /nfs/dbraw/zinc/64/65/71/954646571.db2.gz CAGJWNZCXJJRAK-JTQLQIEISA-N -1 0 307.306 -0.717 20 0 DBADRM CN1CCC[C@@H](OC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1=O ZINC001593780736 954655188 /nfs/dbraw/zinc/65/51/88/954655188.db2.gz JWMJJTMPIDETQD-VHSXEESVSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1CCC[C@H](OC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1=O ZINC001593780735 954655399 /nfs/dbraw/zinc/65/53/99/954655399.db2.gz JWMJJTMPIDETQD-UWVGGRQHSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1CCC[C@@H](NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1=O ZINC001593780780 954657091 /nfs/dbraw/zinc/65/70/91/954657091.db2.gz LFTYBFBDXGZJKO-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)[C@@H](CO)C1 ZINC001593781341 954669258 /nfs/dbraw/zinc/66/92/58/954669258.db2.gz UTHKHJTZBLSZOH-GFCCVEGCSA-N -1 0 308.334 -0.102 20 0 DBADRM CN1CCc2ccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])cc21 ZINC001593786838 954710171 /nfs/dbraw/zinc/71/01/71/954710171.db2.gz RBOXXHMUVWALGX-HNNXBMFYSA-N -1 0 321.333 -0.431 20 0 DBADRM CN1CCc2c(NC(=O)C(=O)NCC(=O)[O-])cccc2C1=O ZINC001593787608 954727468 /nfs/dbraw/zinc/72/74/68/954727468.db2.gz RLHQJPOWQODDJL-UHFFFAOYSA-N -1 0 305.290 -0.546 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)OC)[nH]n1 ZINC001589442584 954731347 /nfs/dbraw/zinc/73/13/47/954731347.db2.gz DDGDNQOZYIOCFH-SSDOTTSWSA-N -1 0 305.312 -0.320 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001589442720 954732759 /nfs/dbraw/zinc/73/27/59/954732759.db2.gz MHYWBUFQIOEGOC-IWEMQMMOSA-N -1 0 301.390 -0.399 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593788332 954738770 /nfs/dbraw/zinc/73/87/70/954738770.db2.gz ATKPZKBSUHCLDL-UWVGGRQHSA-N -1 0 313.354 -0.850 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC001593789066 954750061 /nfs/dbraw/zinc/75/00/61/954750061.db2.gz PTQXSGJTOZVOJI-OTYXRUKQSA-N -1 0 313.354 -0.850 20 0 DBADRM CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC001593789064 954750676 /nfs/dbraw/zinc/75/06/76/954750676.db2.gz PTQXSGJTOZVOJI-LKFCYVNXSA-N -1 0 313.354 -0.850 20 0 DBADRM CNC(=O)[C@H](NC(=O)COC(=O)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC001593789262 954750462 /nfs/dbraw/zinc/75/04/62/954750462.db2.gz RRCGZYFIAXJPSI-JOYOIKCWSA-N -1 0 322.317 -0.146 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](n3cccn3)C2)C1 ZINC001594916305 954755998 /nfs/dbraw/zinc/75/59/98/954755998.db2.gz MEXXBJVKFDOMPQ-WDEREUQCSA-N -1 0 306.322 -0.410 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CCO1 ZINC001593792012 954765130 /nfs/dbraw/zinc/76/51/30/954765130.db2.gz PXZOBJRUYKLBBL-MXWKQRLJSA-N -1 0 314.338 -0.770 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CCO1 ZINC001593792421 954767423 /nfs/dbraw/zinc/76/74/23/954767423.db2.gz ZKLJGFFRZYVPQN-MZBZXASESA-N -1 0 308.290 -0.036 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)C2(C(=O)[O-])CCOCC2)cc1C ZINC001593792868 954771666 /nfs/dbraw/zinc/77/16/66/954771666.db2.gz FVFIQDCTJJTUJT-UHFFFAOYSA-N -1 0 324.337 -0.243 20 0 DBADRM CCC(C)(C)C(=O)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001589446878 954771838 /nfs/dbraw/zinc/77/18/38/954771838.db2.gz FTAMJWHHHBCIAB-MRVPVSSYSA-N -1 0 305.352 -0.298 20 0 DBADRM CNC(=O)CN1CCCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001593792899 954772571 /nfs/dbraw/zinc/77/25/71/954772571.db2.gz AKTNTIKRHJAGIM-UHFFFAOYSA-N -1 0 309.366 -0.312 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3OCCC[C@H]3C2)C1 ZINC001594917692 954774306 /nfs/dbraw/zinc/77/43/06/954774306.db2.gz WKPAVUCJTBJZJV-TUAOUCFPSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)C1 ZINC001594917694 954774446 /nfs/dbraw/zinc/77/44/46/954774446.db2.gz WKPAVUCJTBJZJV-UTUOFQBUSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CCCN1Cc1cn(C[C@@]2(O)CCCOC2)nn1 ZINC001594918077 954780326 /nfs/dbraw/zinc/78/03/26/954780326.db2.gz ZVCWTFXEGQJHAY-JSGCOSHPSA-N -1 0 310.354 -0.131 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC001593793701 954786817 /nfs/dbraw/zinc/78/68/17/954786817.db2.gz UUTUWTMOIOQEOH-SECBINFHSA-N -1 0 309.326 -0.042 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001593794551 954795312 /nfs/dbraw/zinc/79/53/12/954795312.db2.gz CULDVVLABMYSER-OUAUKWLOSA-N -1 0 313.354 -0.356 20 0 DBADRM CNC(=O)c1ccc(C(=O)N(CCC(=O)OC)CC(=O)[O-])cn1 ZINC001593794585 954796988 /nfs/dbraw/zinc/79/69/88/954796988.db2.gz OUXOJIQUAVFOJO-UHFFFAOYSA-N -1 0 323.305 -0.469 20 0 DBADRM CNC(=O)N[C@H]1CCN(C(=O)C2(CC(=O)[O-])CCOCC2)C1 ZINC001593794612 954797029 /nfs/dbraw/zinc/79/70/29/954797029.db2.gz FBQBDGKVASOTLL-JTQLQIEISA-N -1 0 313.354 -0.212 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)CCCCC(=O)[O-] ZINC001593795181 954804792 /nfs/dbraw/zinc/80/47/92/954804792.db2.gz OSWMGDCTYXEGKM-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)C1 ZINC001594925318 954810698 /nfs/dbraw/zinc/81/06/98/954810698.db2.gz OVIOWQOXKFAYRW-QMMMGPOBSA-N -1 0 322.321 -0.100 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CC(=O)[O-])cc1 ZINC001593797069 954815761 /nfs/dbraw/zinc/81/57/61/954815761.db2.gz ZKCMTDJAWMLDRM-MRVPVSSYSA-N -1 0 307.306 -0.036 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001593797358 954817946 /nfs/dbraw/zinc/81/79/46/954817946.db2.gz HNEVCACOHZRRSZ-RNFRBKRXSA-N -1 0 311.298 -0.627 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H](C)CC(=O)[O-])C1 ZINC001593797511 954819535 /nfs/dbraw/zinc/81/95/35/954819535.db2.gz LWFLPALGYLOXIE-BDAKNGLRSA-N -1 0 307.372 -0.427 20 0 DBADRM CNC(=O)c1cccc(NC(=O)c2cn(CC(=O)[O-])nn2)c1 ZINC001593797593 954820621 /nfs/dbraw/zinc/82/06/21/954820621.db2.gz RCSRHYXXPQQQRU-UHFFFAOYSA-N -1 0 303.278 -0.025 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001593797808 954824935 /nfs/dbraw/zinc/82/49/35/954824935.db2.gz CAJHNZDJUYYBQP-SECBINFHSA-N -1 0 307.372 -0.568 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC001593797839 954825359 /nfs/dbraw/zinc/82/53/59/954825359.db2.gz CRNYRNBWVHUFCL-MFKMUULPSA-N -1 0 316.379 -0.052 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)N[C@H](C)CC(=O)[O-])C1 ZINC001593798243 954829389 /nfs/dbraw/zinc/82/93/89/954829389.db2.gz PQOBEZUVXBBPGZ-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(Cc2cc(C(=O)[O-])nn2C)C1 ZINC001593798212 954829816 /nfs/dbraw/zinc/82/98/16/954829816.db2.gz OIWUSYPLXYZLJW-SECBINFHSA-N -1 0 302.356 -0.758 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001593798263 954829936 /nfs/dbraw/zinc/82/99/36/954829936.db2.gz QJVZPQPRTHRKIN-ZJUUUORDSA-N -1 0 321.399 -0.322 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001593798374 954833330 /nfs/dbraw/zinc/83/33/30/954833330.db2.gz VVAAVOJQNSXQNO-KYZUINATSA-N -1 0 319.383 -0.427 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)c2cn(CC(=O)[O-])nn2)c1 ZINC001593798589 954836147 /nfs/dbraw/zinc/83/61/47/954836147.db2.gz IDVAYVJIEOPARH-UHFFFAOYSA-N -1 0 317.305 -0.348 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)n1 ZINC001593798674 954838490 /nfs/dbraw/zinc/83/84/90/954838490.db2.gz OVIJQZIKTXJILY-LLVKDONJSA-N -1 0 317.305 -0.270 20 0 DBADRM CNS(=O)(=O)NCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC001593798910 954841912 /nfs/dbraw/zinc/84/19/12/954841912.db2.gz HGYXLBDPOXYMNY-BBBLOLIVSA-N -1 0 319.383 -0.716 20 0 DBADRM CNS(=O)(=O)NCC(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001593798991 954843929 /nfs/dbraw/zinc/84/39/29/954843929.db2.gz LLIXLAHHRZGBMR-UHFFFAOYSA-N -1 0 307.372 -0.666 20 0 DBADRM CNS(=O)(=O)NCC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001593799161 954844397 /nfs/dbraw/zinc/84/43/97/954844397.db2.gz RDWQWBCVRFQDPP-UHFFFAOYSA-N -1 0 307.372 -0.666 20 0 DBADRM CNS(=O)(=O)NC1CCN(C(=O)CCCCC(=O)[O-])CC1 ZINC001593799268 954846198 /nfs/dbraw/zinc/84/61/98/954846198.db2.gz WSRCNPCRWAVWIQ-UHFFFAOYSA-N -1 0 321.399 -0.324 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCOCC23CC3)CC1 ZINC001594935643 954858966 /nfs/dbraw/zinc/85/89/66/954858966.db2.gz VEDDAJMPLJATCG-UHFFFAOYSA-N -1 0 304.368 -0.107 20 0 DBADRM Cc1cncn1CC(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485330766 1013129136 /nfs/dbraw/zinc/12/91/36/1013129136.db2.gz JMGQBCUXXIFKLD-SECBINFHSA-N -1 0 307.358 -0.348 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCCO[C@H]2CCOC2)CC1 ZINC001594939179 954865369 /nfs/dbraw/zinc/86/53/69/954865369.db2.gz JKVQFCPOJNJUMT-NSHDSACASA-N -1 0 322.383 -0.577 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccn1)c1nncn1C ZINC000386385283 972049523 /nfs/dbraw/zinc/04/95/23/972049523.db2.gz SHTGZFWDFKKVTC-SSDOTTSWSA-N -1 0 311.323 -0.052 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2CCCO[C@@H]2CCOC2)C1 ZINC001594940269 954877527 /nfs/dbraw/zinc/87/75/27/954877527.db2.gz APKUWFKAFWAVIW-GHMZBOCLSA-N -1 0 311.342 -0.220 20 0 DBADRM COC(=O)[C@](C)(CO)NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001593804091 954878365 /nfs/dbraw/zinc/87/83/65/954878365.db2.gz KIHFJSNABSOTNM-RWEMILLDSA-N -1 0 303.311 -0.704 20 0 DBADRM COC(=O)C(=O)[C@H](C)OC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001593804173 954880256 /nfs/dbraw/zinc/88/02/56/954880256.db2.gz GTAVYAAKAVWCEM-QMMMGPOBSA-N -1 0 302.279 -0.068 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2[C@@H]2C[C@@H]3CCCCN3C2=O)C1 ZINC001594940751 954886191 /nfs/dbraw/zinc/88/61/91/954886191.db2.gz NWDSBNLETXIKNX-OUAUKWLOSA-N -1 0 320.353 -0.090 20 0 DBADRM O=C([O-])[C@H]1CCN(c2nnnn2CCOC2CCOCC2)C1 ZINC001594941076 954891559 /nfs/dbraw/zinc/89/15/59/954891559.db2.gz WRVQXOSRMQEHSZ-JTQLQIEISA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])C1CN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)C1 ZINC001594941571 954901032 /nfs/dbraw/zinc/90/10/32/954901032.db2.gz UMNLAUULIFBQGV-QWRGUYRKSA-N -1 0 305.290 -0.500 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC001593805953 954904266 /nfs/dbraw/zinc/90/42/66/954904266.db2.gz DMEJTJWPRJGEFI-WPRPVWTQSA-N -1 0 303.311 -0.236 20 0 DBADRM O=C([O-])C1CN(C(=O)CNS(=O)(=O)c2cccc(F)c2)C1 ZINC001594945661 954912919 /nfs/dbraw/zinc/91/29/19/954912919.db2.gz YLEJOTHHVIVBQV-UHFFFAOYSA-N -1 0 316.310 -0.353 20 0 DBADRM CC[C@H](C[C@H](C)O)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589467461 954914095 /nfs/dbraw/zinc/91/40/95/954914095.db2.gz TXZNSPFRYHTEMY-AXFHLTTASA-N -1 0 300.355 -0.025 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001593808742 954920581 /nfs/dbraw/zinc/92/05/81/954920581.db2.gz WGSYTYFSWMVZQW-WPRPVWTQSA-N -1 0 301.295 -0.482 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cc2nnc(C3CCOCC3)[nH]2)CCO1 ZINC001594947536 954926173 /nfs/dbraw/zinc/92/61/73/954926173.db2.gz ZQSNYVNBABNNFO-JTQLQIEISA-N -1 0 324.337 -0.447 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CCOC3)CCO1 ZINC001594948979 954942496 /nfs/dbraw/zinc/94/24/96/954942496.db2.gz QMSIGPUGPBCUIH-LLVKDONJSA-N -1 0 308.290 -0.215 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CCO1 ZINC001594950892 954945140 /nfs/dbraw/zinc/94/51/40/954945140.db2.gz GJYILPRMSUZQRA-ONGXEEELSA-N -1 0 310.310 -0.760 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cn(C3CCOCC3)nn2)CCO1 ZINC001594950795 954945288 /nfs/dbraw/zinc/94/52/88/954945288.db2.gz BQQDWQJQNOEDBE-NSHDSACASA-N -1 0 310.310 -0.445 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)NCc1nnc2n1CCNC2=O ZINC001589475890 954958768 /nfs/dbraw/zinc/95/87/68/954958768.db2.gz OIVXUJRQDRMEPQ-UHFFFAOYSA-N -1 0 309.326 -0.471 20 0 DBADRM COC(=O)C1(O)CN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])C1 ZINC001593813483 954973168 /nfs/dbraw/zinc/97/31/68/954973168.db2.gz FIZBQBPVUGOABY-VIFPVBQESA-N -1 0 302.327 -0.337 20 0 DBADRM COC(=O)[C@]1(N2CCN(C(=O)CCC(=O)[O-])CC2)CCOC1 ZINC001593813701 954976056 /nfs/dbraw/zinc/97/60/56/954976056.db2.gz HFTYSXSKCBHZLQ-AWEZNQCLSA-N -1 0 314.338 -0.673 20 0 DBADRM COC(=O)C1(O)CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001593813889 954978464 /nfs/dbraw/zinc/97/84/64/954978464.db2.gz JHFSVKHAFSXDJC-UHFFFAOYSA-N -1 0 308.290 -0.080 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2CC[C@H]2CCCOC2)CCO1 ZINC001594954716 954979511 /nfs/dbraw/zinc/97/95/11/954979511.db2.gz SZUGRBLKTZIMPG-MNOVXSKESA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)CCOCC(F)(F)F)CCO1 ZINC001594955033 954985068 /nfs/dbraw/zinc/98/50/68/954985068.db2.gz QZJNAHLUKUBBIF-SSDOTTSWSA-N -1 0 321.273 -0.320 20 0 DBADRM COC(=O)[C@]1(OC)CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001593814854 954993352 /nfs/dbraw/zinc/99/33/52/954993352.db2.gz WFJQXPTYPVSROS-RWEMILLDSA-N -1 0 300.311 -0.177 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001594957925 954996098 /nfs/dbraw/zinc/99/60/98/954996098.db2.gz VIRNGQVQAXRMTF-MMWGEVLESA-N -1 0 317.363 -0.346 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCc1ccoc1 ZINC001594959672 955001205 /nfs/dbraw/zinc/00/12/05/955001205.db2.gz ANYDDBPSULJCPJ-SNVBAGLBSA-N -1 0 301.320 -0.078 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCc2cccnc21 ZINC001594959718 955001275 /nfs/dbraw/zinc/00/12/75/955001275.db2.gz CUCPISVTRWQHOD-MNOVXSKESA-N -1 0 324.358 -0.178 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC1(Cl)Cl ZINC001594959798 955001941 /nfs/dbraw/zinc/00/19/41/955001941.db2.gz FWVKBCVIHUAASV-NTSWFWBYSA-N -1 0 316.162 -0.110 20 0 DBADRM COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)(C1)C2 ZINC001593816064 955002866 /nfs/dbraw/zinc/00/28/66/955002866.db2.gz MVBCBMMKZBMVTN-DCLCDWLOSA-N -1 0 309.318 -0.111 20 0 DBADRM COC(=O)C1=NO[C@@]2(CCN(C(=O)NCCCC(=O)[O-])C2)C1 ZINC001593816069 955002949 /nfs/dbraw/zinc/00/29/49/955002949.db2.gz MVQKVQPWGOYMDV-ZDUSSCGKSA-N -1 0 313.310 -0.045 20 0 DBADRM COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001593816921 955007905 /nfs/dbraw/zinc/00/79/05/955007905.db2.gz VQJKSMZADXQYHG-PSASIEDQSA-N -1 0 310.310 -0.224 20 0 DBADRM COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1cc(C(=O)[O-])nn1C ZINC001593817149 955011615 /nfs/dbraw/zinc/01/16/15/955011615.db2.gz ZWLXAPYFKOWPHU-VHSXEESVSA-N -1 0 311.294 -0.743 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccnc2ccnn21 ZINC001594960877 955015070 /nfs/dbraw/zinc/01/50/70/955015070.db2.gz GDTVGHYVAGUSEF-SECBINFHSA-N -1 0 324.318 -0.947 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@@H]1CC2(CC2)C(=O)O1 ZINC001594962280 955021783 /nfs/dbraw/zinc/02/17/83/955021783.db2.gz QSNXNOCISDSGRW-DTWKUNHWSA-N -1 0 303.336 -0.734 20 0 DBADRM CC(C)n1cnnc1SCC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000386529456 972062398 /nfs/dbraw/zinc/06/23/98/972062398.db2.gz ZEYQSIWCMQLYCO-LBPRGKRZSA-N -1 0 314.367 -0.001 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CCOCC(F)(F)F ZINC001594962378 955023983 /nfs/dbraw/zinc/02/39/83/955023983.db2.gz RWQCLFAZNLOFHS-ZETCQYMHSA-N -1 0 305.274 -0.251 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1ccc(Cl)nn1 ZINC001594964375 955035593 /nfs/dbraw/zinc/03/55/93/955035593.db2.gz CSEWVQAWBKHGAS-MRVPVSSYSA-N -1 0 305.743 -0.186 20 0 DBADRM CCC(CC)(NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(N)=O ZINC001589509948 955044423 /nfs/dbraw/zinc/04/44/23/955044423.db2.gz BPVZVUHVWPWGLJ-VIFPVBQESA-N -1 0 313.354 -0.530 20 0 DBADRM O=C([O-])C=Cc1cc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)co1 ZINC001594965903 955053850 /nfs/dbraw/zinc/05/38/50/955053850.db2.gz IDXMXRYRFDJKRO-YOLVWIGZSA-N -1 0 319.273 -0.246 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1nnsc1Cl ZINC001594966099 955056210 /nfs/dbraw/zinc/05/62/10/955056210.db2.gz UBXOUXVNPINGQF-ZCFIWIBFSA-N -1 0 311.772 -0.125 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1)C(=O)[O-] ZINC001589518043 955076392 /nfs/dbraw/zinc/07/63/92/955076392.db2.gz JKYZNVHUWNCWPT-RKDXNWHRSA-N -1 0 321.324 -0.331 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC000386599937 972067483 /nfs/dbraw/zinc/06/74/83/972067483.db2.gz YWOFARXSDBFOFU-AWEZNQCLSA-N -1 0 302.290 -0.071 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCC[C@](C)(CO)C1)C(=O)[O-] ZINC001589519351 955087584 /nfs/dbraw/zinc/08/75/84/955087584.db2.gz RSSMTYVCOIICKS-YGRLFVJLSA-N -1 0 300.355 -0.166 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)NC[C@]1(OC)CCSC1)C(=O)[O-] ZINC001589519947 955089266 /nfs/dbraw/zinc/08/92/66/955089266.db2.gz XLWDSHVFSDGTGK-TVQRCGJNSA-N -1 0 318.395 -0.148 20 0 DBADRM COC(=O)C1CC2(C1)CN(Cc1cnn(C)n1)C[C@@H]2C(=O)[O-] ZINC001593825274 955099228 /nfs/dbraw/zinc/09/92/28/955099228.db2.gz GWSBSRJNSCGGJA-GOSTWBGLSA-N -1 0 308.338 -0.099 20 0 DBADRM CC[C@@H](CNC(=O)N(C)C[C@@H](O)CN1CCOCC1)C(=O)[O-] ZINC001589524825 955101028 /nfs/dbraw/zinc/10/10/28/955101028.db2.gz GIWGUZMMXFZDRH-NWDGAFQWSA-N -1 0 317.386 -0.568 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)OC)N(C(=O)[C@H](OC)C(=O)[O-])C1 ZINC001593827038 955110953 /nfs/dbraw/zinc/11/09/53/955110953.db2.gz ZSAXFSPYPJBJMG-VGMNWLOBSA-N -1 0 317.294 -0.961 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)OC)N(C(=O)[C@@H](OC)C(=O)[O-])C1 ZINC001593827035 955111454 /nfs/dbraw/zinc/11/14/54/955111454.db2.gz ZSAXFSPYPJBJMG-HRDYMLBCSA-N -1 0 317.294 -0.961 20 0 DBADRM CC[C@@H](CNC(=O)N1CCC(O)(COCCO)CC1)C(=O)[O-] ZINC001589526134 955118691 /nfs/dbraw/zinc/11/86/91/955118691.db2.gz HERBUOKPSJCMEM-NSHDSACASA-N -1 0 318.370 -0.357 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001593828016 955119423 /nfs/dbraw/zinc/11/94/23/955119423.db2.gz CSOXBDOOLPSTPK-SNVBAGLBSA-N -1 0 312.322 -0.669 20 0 DBADRM CC[C@@H](CNC(=O)N1CC[C@H](S(=O)(=O)NC)C1)C(=O)[O-] ZINC001589526441 955121169 /nfs/dbraw/zinc/12/11/69/955121169.db2.gz JJQRDKYSJQOOAG-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM COC(=O)[C@H]1CN(C)CCN(C(=O)CSCC(=O)[O-])C1 ZINC001593828744 955128296 /nfs/dbraw/zinc/12/82/96/955128296.db2.gz SCIASBNUIYTPQT-VIFPVBQESA-N -1 0 304.368 -0.633 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000386658912 972072135 /nfs/dbraw/zinc/07/21/35/972072135.db2.gz MCEYKGLDZPANET-OCAPTIKFSA-N -1 0 305.290 -0.326 20 0 DBADRM COC(=O)C1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])CC1 ZINC001593830086 955143995 /nfs/dbraw/zinc/14/39/95/955143995.db2.gz WUDZQLKCXFXYGY-UHFFFAOYSA-N -1 0 300.311 -0.669 20 0 DBADRM COC(=O)[C@H]1CCCCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001593830093 955144497 /nfs/dbraw/zinc/14/44/97/955144497.db2.gz WXVLBRDIXYUNJX-SNVBAGLBSA-N -1 0 310.310 -0.080 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)CNC(=O)c2ccccc2)CC1 ZINC000386682181 972072937 /nfs/dbraw/zinc/07/29/37/972072937.db2.gz PZXJLCAZQIAIDQ-UHFFFAOYSA-N -1 0 306.318 -0.146 20 0 DBADRM COC(=O)C[C@@](C)(NC(=O)c1cn(CC(=O)[O-])nn1)C1CC1 ZINC001593831927 955159886 /nfs/dbraw/zinc/15/98/86/955159886.db2.gz OZGCYKSACKHZKD-CYBMUJFWSA-N -1 0 310.310 -0.176 20 0 DBADRM COC(=O)CC1(CNC(=O)[C@](C)(OC)C(=O)[O-])CCOCC1 ZINC001593832696 955166508 /nfs/dbraw/zinc/16/65/08/955166508.db2.gz GIWRRWFBXVPLHD-ZDUSSCGKSA-N -1 0 317.338 -0.048 20 0 DBADRM COC(=O)CCCCCS(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001593834396 955174651 /nfs/dbraw/zinc/17/46/51/955174651.db2.gz KYUMFBHUMCLNLS-LLVKDONJSA-N -1 0 311.356 -0.525 20 0 DBADRM Cc1nc(C)c(CCC(=O)N2CC[C@@](O)(C(=O)[O-])C2)c(=O)[nH]1 ZINC000386725437 972076311 /nfs/dbraw/zinc/07/63/11/972076311.db2.gz AZEFZDFOGRLHPR-AWEZNQCLSA-N -1 0 309.322 -0.220 20 0 DBADRM COC(=O)CCCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001593834741 955177089 /nfs/dbraw/zinc/17/70/89/955177089.db2.gz YZELXSOEZCMTLY-VIFPVBQESA-N -1 0 300.311 -0.621 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H](C)N1C(=O)CCC1=O ZINC001593836071 955313190 /nfs/dbraw/zinc/31/31/90/955313190.db2.gz PZFOFPOEOUTJGY-QMMMGPOBSA-N -1 0 314.294 -1.000 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001593836639 955318152 /nfs/dbraw/zinc/31/81/52/955318152.db2.gz DNUFCCLDGOLVGJ-IONNQARKSA-N -1 0 300.267 -0.994 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C)C1 ZINC001589000493 955319523 /nfs/dbraw/zinc/31/95/23/955319523.db2.gz ZGUSBYOAOFIGSP-SBMIAAHKSA-N -1 0 304.368 -0.074 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cnc3sccn3c2=O)C1 ZINC000386857698 972085877 /nfs/dbraw/zinc/08/58/77/972085877.db2.gz WDFKYCGIFDJJDC-GFCCVEGCSA-N -1 0 309.303 -0.582 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC001589001943 955333186 /nfs/dbraw/zinc/33/31/86/955333186.db2.gz POPLSVRVWPVBMA-RKDXNWHRSA-N -1 0 307.372 -0.427 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CCCCS1(=O)=O ZINC001593839467 955342552 /nfs/dbraw/zinc/34/25/52/955342552.db2.gz ISXJVBOPWYICKF-SECBINFHSA-N -1 0 321.351 -0.570 20 0 DBADRM CC1SC(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])=NC1=O ZINC001594510614 955386951 /nfs/dbraw/zinc/38/69/51/955386951.db2.gz LZVFZXCMNAULOH-ZCFIWIBFSA-N -1 0 320.348 -0.519 20 0 DBADRM COC(=O)CCN1CCN(C(=O)COCC(=O)[O-])C[C@@H]1C ZINC001593844395 955395746 /nfs/dbraw/zinc/39/57/46/955395746.db2.gz IKUHKEGZTYOPLB-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM COC(=O)CCN1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C[C@H]1C ZINC001593844456 955396533 /nfs/dbraw/zinc/39/65/33/955396533.db2.gz JXZNEAQPVQZAQS-SECBINFHSA-N -1 0 324.337 -0.183 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)N[C@]3(C(=O)[O-])CCOC3)ccnc1-2 ZINC001594513325 955406404 /nfs/dbraw/zinc/40/64/04/955406404.db2.gz NKCGAHSWSFSWCO-CYBMUJFWSA-N -1 0 305.294 -0.293 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@@]1(C)CCNC(=O)C1)C(=O)[O-] ZINC001593845505 955408753 /nfs/dbraw/zinc/40/87/53/955408753.db2.gz ITFAPUCDTSWWEY-SDBXPKJASA-N -1 0 300.311 -0.575 20 0 DBADRM CN(C(=O)c1ccc(C(=O)[O-])[nH]1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000386965019 972093988 /nfs/dbraw/zinc/09/39/88/972093988.db2.gz PSXAJOVEFOSGSL-MRVPVSSYSA-N -1 0 315.351 -0.181 20 0 DBADRM Cc1nn(C)c2ncc(C(=O)NCC(=O)NCC(=O)[O-])cc12 ZINC000386978404 972094902 /nfs/dbraw/zinc/09/49/02/972094902.db2.gz ZAHYCFMRFAEMHK-UHFFFAOYSA-N -1 0 305.294 -0.793 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1ccc2n[nH]nc2n1)C(=O)[O-] ZINC001593847485 955431974 /nfs/dbraw/zinc/43/19/74/955431974.db2.gz PJMWCJSPTQUYGV-QMMMGPOBSA-N -1 0 307.266 -0.511 20 0 DBADRM Cn1c(C[C@H](O)C2CC2)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001594517974 955433170 /nfs/dbraw/zinc/43/31/70/955433170.db2.gz KYPOWICOHIAUQF-JRPNMDOOSA-N -1 0 322.365 -0.334 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1nc2ncc(C)cn2n1)C(=O)[O-] ZINC001593848390 955436216 /nfs/dbraw/zinc/43/62/16/955436216.db2.gz FLXSAVRNMMJWTC-QMMMGPOBSA-N -1 0 321.293 -0.431 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1cn(C)c(C)cc1=O)C(=O)[O-] ZINC001593848821 955440425 /nfs/dbraw/zinc/44/04/25/955440425.db2.gz TVEDMQDTZXIKRL-JTQLQIEISA-N -1 0 310.306 -0.170 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1csc(CO)n1)C(=O)[O-] ZINC001593848894 955441541 /nfs/dbraw/zinc/44/15/41/955441541.db2.gz WWUGSEFNUSGISL-LURJTMIESA-N -1 0 302.308 -0.228 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)C[C@H]1CCOC1)C(=O)[O-] ZINC001593849930 955445948 /nfs/dbraw/zinc/44/59/48/955445948.db2.gz QRYQDLPVWSNIEO-IUCAKERBSA-N -1 0 309.340 -0.651 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CC[C@H](c2nccn2C)C1)C(=O)[O-] ZINC001589019209 955448864 /nfs/dbraw/zinc/44/88/64/955448864.db2.gz BJWWPXCOPLEARR-QWRGUYRKSA-N -1 0 322.365 -0.085 20 0 DBADRM COC(=O)CN(CCc1ccccc1)CC(=O)NCC(=O)[O-] ZINC001593850688 955454592 /nfs/dbraw/zinc/45/45/92/955454592.db2.gz PFVQEZRHFHAAPZ-UHFFFAOYSA-N -1 0 308.334 -0.095 20 0 DBADRM CN1C(=S)N=NC1CCCNC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001594521706 955460518 /nfs/dbraw/zinc/46/05/18/955460518.db2.gz JXQLZHOIOZKHOQ-SSDOTTSWSA-N -1 0 313.339 -0.618 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594521877 955461490 /nfs/dbraw/zinc/46/14/90/955461490.db2.gz KWICJVVXXMMNJA-SFYZADRCSA-N -1 0 314.367 -0.010 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[C@@H]1O)C(=O)[O-] ZINC001589019966 955461668 /nfs/dbraw/zinc/46/16/68/955461668.db2.gz MBZBSYDLUXZGOO-VWYCJHECSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@@H](CCCO)C1)C(=O)[O-] ZINC001589020514 955465851 /nfs/dbraw/zinc/46/58/51/955465851.db2.gz UJXAUDSCYDYDTN-GHMZBOCLSA-N -1 0 300.355 -0.214 20 0 DBADRM COC(=O)CSCCC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593851893 955468064 /nfs/dbraw/zinc/46/80/64/955468064.db2.gz AJXGDWCTXBQJAB-NOZJJQNGSA-N -1 0 317.363 -0.158 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CC[C@H](n2cncn2)C1)C(=O)[O-] ZINC001589020724 955468514 /nfs/dbraw/zinc/46/85/14/955468514.db2.gz VKNIRCQUSBRXNQ-UWVGGRQHSA-N -1 0 309.326 -0.769 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)[O-] ZINC001589020902 955469825 /nfs/dbraw/zinc/46/98/25/955469825.db2.gz OUZGBPMSOMOJMC-SNVBAGLBSA-N -1 0 310.354 -0.050 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@H]1C)C(=O)[O-] ZINC001589021239 955471475 /nfs/dbraw/zinc/47/14/75/955471475.db2.gz YZAQAEREPVYYBC-NZNBFCPWSA-N -1 0 318.395 -0.467 20 0 DBADRM Cn1cc(-c2ccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])nn2)cn1 ZINC001594523377 955474923 /nfs/dbraw/zinc/47/49/23/955474923.db2.gz BRTDNOKUPXUXCZ-CYBMUJFWSA-N -1 0 320.309 -0.166 20 0 DBADRM Cn1cc(-c2nnc(N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)n2C)cn1 ZINC001594524016 955486782 /nfs/dbraw/zinc/48/67/82/955486782.db2.gz NUSAYJQTNJWPHA-QMTHXVAHSA-N -1 0 318.337 -0.247 20 0 DBADRM C[C@@H](CN(C)C(=O)NCCCn1ccc(=O)[nH]c1=O)C(=O)[O-] ZINC001589023206 955490135 /nfs/dbraw/zinc/49/01/35/955490135.db2.gz DAJPNUPKWHESJA-VIFPVBQESA-N -1 0 312.326 -0.299 20 0 DBADRM C[C@H](CN(C)C(=O)NCC1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001589023932 955498266 /nfs/dbraw/zinc/49/82/66/955498266.db2.gz WLPMFODJKFWTGP-MRVPVSSYSA-N -1 0 307.372 -0.760 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)Nc1cc(C(=O)[O-])[nH]n1)c2=O ZINC001594530325 955525113 /nfs/dbraw/zinc/52/51/13/955525113.db2.gz MHFZEQCHMRSEHU-UHFFFAOYSA-N -1 0 316.277 -0.054 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593860374 955529907 /nfs/dbraw/zinc/52/99/07/955529907.db2.gz BWERGGSVSSIWBS-BBBLOLIVSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])C[C@H]1C ZINC001593860463 955532982 /nfs/dbraw/zinc/53/29/82/955532982.db2.gz FGLCTKBCQWWUOY-RKDXNWHRSA-N -1 0 300.311 -0.765 20 0 DBADRM COC(=O)[C@@H]1CN(CCS(=O)(=O)CC(=O)[O-])C[C@H]1C1CC1 ZINC001593860570 955534634 /nfs/dbraw/zinc/53/46/34/955534634.db2.gz HAGJRGQQUMKUJC-WDEREUQCSA-N -1 0 319.379 -0.383 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C[C@H]1C1CC1 ZINC001593860746 955537650 /nfs/dbraw/zinc/53/76/50/955537650.db2.gz IBIXZVUOMXAWQD-IQJOONFLSA-N -1 0 310.306 -0.127 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C[C@H]1C ZINC001593860722 955537832 /nfs/dbraw/zinc/53/78/32/955537832.db2.gz HIMYSMGTAZOVSW-OPRDCNLKSA-N -1 0 314.338 -0.567 20 0 DBADRM COC(=O)[C@@H](NC(=O)CN1CCOC[C@@H]1C(=O)[O-])C(C)C ZINC001593861264 955547905 /nfs/dbraw/zinc/54/79/05/955547905.db2.gz PNZBQCSUCKEYGU-KOLCDFICSA-N -1 0 302.327 -0.914 20 0 DBADRM COC(=O)[C@@H](NC(=O)CN1CCO[C@H](C(=O)[O-])C1)C(C)C ZINC001593861270 955547946 /nfs/dbraw/zinc/54/79/46/955547946.db2.gz PUPWYWVIZVFRLG-ONGXEEELSA-N -1 0 302.327 -0.914 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C)C(=O)[O-] ZINC001589036792 955554191 /nfs/dbraw/zinc/55/41/91/955554191.db2.gz MNKGPIZYYNRNRB-GBJXRQAHSA-N -1 0 304.368 -0.809 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNC(=O)c2cc(C(=O)[O-])n[nH]2)C1(F)F ZINC001593862488 955556007 /nfs/dbraw/zinc/55/60/07/955556007.db2.gz HZLYZXPINHWODS-FFWSUHOLSA-N -1 0 303.221 -0.108 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@H]1CCN(CC(F)F)C1)C(=O)[O-] ZINC001589037087 955557834 /nfs/dbraw/zinc/55/78/34/955557834.db2.gz VCJUMQWSMTVPDW-SFYZADRCSA-N -1 0 307.297 -0.721 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNC(=O)[C@@]2(C(=O)[O-])CCCO2)C1(F)F ZINC001593862803 955560373 /nfs/dbraw/zinc/56/03/73/955560373.db2.gz SXZWJBCLHRDJGK-OKTBNZSVSA-N -1 0 307.249 -0.209 20 0 DBADRM C[C@H](CN(C)c1nnnn1CC[C@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC001589038284 955567360 /nfs/dbraw/zinc/56/73/60/955567360.db2.gz NFJIFEDEBJLPHL-ZJUUUORDSA-N -1 0 310.358 -0.302 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3cn(C)nn3)C2)cn1 ZINC001594535256 955567653 /nfs/dbraw/zinc/56/76/53/955567653.db2.gz CFVZYQKOBIDUAP-NXEZZACHSA-N -1 0 318.337 -0.121 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001593864955 955571665 /nfs/dbraw/zinc/57/16/65/955571665.db2.gz BTEPRMQPRGDIEA-ZYHUDNBSSA-N -1 0 323.301 -0.102 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001593865862 955575574 /nfs/dbraw/zinc/57/55/74/955575574.db2.gz UBZZWTIZDVNENM-QEYWKRMJSA-N -1 0 312.322 -0.576 20 0 DBADRM COC(=O)c1cc(C2CN(C(=O)[C@@H]3CC(C(=O)[O-])=NO3)C2)[nH]n1 ZINC001593869372 955616066 /nfs/dbraw/zinc/61/60/66/955616066.db2.gz QDFRWRROMSHKCW-JTQLQIEISA-N -1 0 322.277 -0.648 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)S(C)(=O)=O ZINC001589044964 955619175 /nfs/dbraw/zinc/61/91/75/955619175.db2.gz PRICJOOQTVYGMD-BBBLOLIVSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)Cn1cccn1 ZINC001589045069 955621595 /nfs/dbraw/zinc/62/15/95/955621595.db2.gz SMISPCAQDLROEY-NWDGAFQWSA-N -1 0 322.365 -0.041 20 0 DBADRM COC(=O)c1cc(C(C)(C)NC(=O)[C@H](OC)C(=O)[O-])no1 ZINC001593870588 955628842 /nfs/dbraw/zinc/62/88/42/955628842.db2.gz XFYNOXWYJATZTM-QMMMGPOBSA-N -1 0 300.267 -0.088 20 0 DBADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3ncnn3C)C2)cn1 ZINC001594540827 955641631 /nfs/dbraw/zinc/64/16/31/955641631.db2.gz UTMWKWCHSXQWEN-VHSXEESVSA-N -1 0 318.337 -0.121 20 0 DBADRM Cn1cc(C[C@H](CO)CNC(=O)c2cnc(C(=O)[O-])cn2)cn1 ZINC001594541637 955658488 /nfs/dbraw/zinc/65/84/88/955658488.db2.gz GMMHKTSFUPVGGR-JTQLQIEISA-N -1 0 319.321 -0.511 20 0 DBADRM Cn1cc(CCCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC001594541854 955661041 /nfs/dbraw/zinc/66/10/41/955661041.db2.gz SPZCODFCRVFVPY-LLVKDONJSA-N -1 0 308.338 -0.598 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)on1 ZINC001593875403 955663251 /nfs/dbraw/zinc/66/32/51/955663251.db2.gz PPJCGKPWGDPXPO-LURJTMIESA-N -1 0 304.280 -0.444 20 0 DBADRM Cn1cc(CCNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)cn1 ZINC001594542656 955665271 /nfs/dbraw/zinc/66/52/71/955665271.db2.gz GGSSHKKNHVKLBI-LLVKDONJSA-N -1 0 308.338 -0.598 20 0 DBADRM Cn1cc(CN2CCN(C(=O)[C@H]3CC(C(=O)[O-])=NO3)CC2)cn1 ZINC001594542848 955667124 /nfs/dbraw/zinc/66/71/24/955667124.db2.gz MPLQKSBIBSCKKK-GFCCVEGCSA-N -1 0 321.337 -0.706 20 0 DBADRM Cn1cc(CNC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)nn1 ZINC001594543044 955669325 /nfs/dbraw/zinc/66/93/25/955669325.db2.gz CNOAICGQFWMABA-JTQLQIEISA-N -1 0 324.341 -0.920 20 0 DBADRM Cn1cc(CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)c(=O)[nH]c1=O ZINC001594543156 955671279 /nfs/dbraw/zinc/67/12/79/955671279.db2.gz SGZZMGXAFNZHDG-JTQLQIEISA-N -1 0 309.322 -0.007 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])CCC2=O)cn1 ZINC001594545328 955680870 /nfs/dbraw/zinc/68/08/70/955680870.db2.gz CBKHZMFRMAHUBX-OTYXRUKQSA-N -1 0 324.337 -0.885 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3CC[C@@H]3C(=O)[O-])C2=O)cn1 ZINC001594545460 955682304 /nfs/dbraw/zinc/68/23/04/955682304.db2.gz FECNLKWJYDXPKB-OUAUKWLOSA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1cc(N2CCN(C(=O)c3cc(C(=O)[O-])n[nH]3)CC2)cn1 ZINC001594548658 955702569 /nfs/dbraw/zinc/70/25/69/955702569.db2.gz RGCXFHRJLWLWKZ-UHFFFAOYSA-N -1 0 304.310 -0.196 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC001594549356 955709974 /nfs/dbraw/zinc/70/99/74/955709974.db2.gz GOTWAFYLHONATE-SSDOTTSWSA-N -1 0 317.323 -0.886 20 0 DBADRM Cn1ccc(=O)n(CCCNC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1=O ZINC001594549685 955713908 /nfs/dbraw/zinc/71/39/08/955713908.db2.gz OGBJALNXFDWBGU-MNOVXSKESA-N -1 0 323.349 -0.446 20 0 DBADRM Cn1cc(S(=O)(=O)NCCOC(=O)CCC(=O)[O-])cn1 ZINC001594549592 955714072 /nfs/dbraw/zinc/71/40/72/955714072.db2.gz PDBVKGCGURZDLX-UHFFFAOYSA-N -1 0 305.312 -0.894 20 0 DBADRM Cn1ccc(=O)n(CCCNC(=O)[C@@H](C(=O)[O-])C2CC2)c1=O ZINC001594549756 955715735 /nfs/dbraw/zinc/71/57/35/955715735.db2.gz RJBNKQOOEAJORR-NSHDSACASA-N -1 0 309.322 -0.836 20 0 DBADRM Cn1cc(S(=O)(=O)NCCOC(=O)C(C)(C)C(=O)[O-])cn1 ZINC001594549872 955716748 /nfs/dbraw/zinc/71/67/48/955716748.db2.gz WLWGAXCVMDEZJO-UHFFFAOYSA-N -1 0 319.339 -0.648 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN[C@]2(C(=O)[O-])CCOC2)n1 ZINC001593884940 955736670 /nfs/dbraw/zinc/73/66/70/955736670.db2.gz HXOOMQVGWDEHOZ-CQSZACIVSA-N -1 0 323.305 -0.360 20 0 DBADRM COC(=O)c1ccc2c(c1)OCCN(CC(=O)NCC(=O)[O-])C2 ZINC001593885599 955743655 /nfs/dbraw/zinc/74/36/55/955743655.db2.gz NCPCFFGQZAXHKW-UHFFFAOYSA-N -1 0 322.317 -0.132 20 0 DBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)C2(C(=O)[O-])CC2)C1=O ZINC001594555166 955752459 /nfs/dbraw/zinc/75/24/59/955752459.db2.gz AAKQTVCITVPAPH-SNVBAGLBSA-N -1 0 320.349 -0.108 20 0 DBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)C2(C(=O)[O-])CC2)C1=O ZINC001594555165 955752955 /nfs/dbraw/zinc/75/29/55/955752955.db2.gz AAKQTVCITVPAPH-JTQLQIEISA-N -1 0 320.349 -0.108 20 0 DBADRM Cn1ccnc1CN1CCC(C(=O)NC[C@@](C)(O)C(=O)[O-])CC1 ZINC001594555483 955755649 /nfs/dbraw/zinc/75/56/49/955755649.db2.gz GLDUPONJUJCCOP-OAHLLOKOSA-N -1 0 324.381 -0.416 20 0 DBADRM Cn1ccnc1COCC(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001594555828 955759593 /nfs/dbraw/zinc/75/95/93/955759593.db2.gz MTMCHQJQIBEVTC-GFCCVEGCSA-N -1 0 307.310 -0.388 20 0 DBADRM COC(=O)c1cccn(CC(=O)N(C)C[C@H](C)C(=O)[O-])c1=O ZINC001593888548 955765363 /nfs/dbraw/zinc/76/53/63/955765363.db2.gz DWKFICDTVIFDQZ-VIFPVBQESA-N -1 0 310.306 -0.186 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001593890552 955776344 /nfs/dbraw/zinc/77/63/44/955776344.db2.gz HNVPAVDRXBGLBA-SSDOTTSWSA-N -1 0 319.339 -0.169 20 0 DBADRM Cn1cnc2cncc(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)c21 ZINC001594557584 955776338 /nfs/dbraw/zinc/77/63/38/955776338.db2.gz QHDMAWRQPXPBDL-UHFFFAOYSA-N -1 0 317.305 -0.663 20 0 DBADRM Cn1cnc(NC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cc1=O ZINC001594558147 955784968 /nfs/dbraw/zinc/78/49/68/955784968.db2.gz ZPGYNLAYKXJAMX-SNVBAGLBSA-N -1 0 317.305 -0.007 20 0 DBADRM Cn1cnn(CCC(=O)NCc2cccc(C(=O)[O-])c2)c1=O ZINC001594558810 955790966 /nfs/dbraw/zinc/79/09/66/955790966.db2.gz WCNKYKAOCABJQG-UHFFFAOYSA-N -1 0 304.306 -0.014 20 0 DBADRM Cn1cnnc1[C@@H](CO)NC(=O)Cc1ccccc1C(=O)[O-] ZINC001594558841 955792173 /nfs/dbraw/zinc/79/21/73/955792173.db2.gz XMPXUNFIFIBHKM-LLVKDONJSA-N -1 0 304.306 -0.094 20 0 DBADRM Cn1cnn(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1=O ZINC001594558867 955792386 /nfs/dbraw/zinc/79/23/86/955792386.db2.gz YQWWRIXHIORVDK-WDEREUQCSA-N -1 0 308.338 -0.459 20 0 DBADRM C[C@@H](CO)CCCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001589073419 955792662 /nfs/dbraw/zinc/79/26/62/955792662.db2.gz NDUBUPUDEFYZKD-SNVBAGLBSA-N -1 0 300.355 -0.166 20 0 DBADRM Cn1cnnc1CCCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594559730 955796927 /nfs/dbraw/zinc/79/69/27/955796927.db2.gz NLLDNLQBNHHLKP-JTQLQIEISA-N -1 0 323.353 -0.813 20 0 DBADRM Cn1cnnc1SCC(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001594560023 955797668 /nfs/dbraw/zinc/79/76/68/955797668.db2.gz UIADIGLFVYUNDP-VIFPVBQESA-N -1 0 310.339 -0.417 20 0 DBADRM C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)N(C)CCC(=O)[O-] ZINC001589074616 955800029 /nfs/dbraw/zinc/80/00/29/955800029.db2.gz CPZZUSJXNVXPSA-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)c1cnoc1CN(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC001593893767 955805735 /nfs/dbraw/zinc/80/57/35/955805735.db2.gz DMOLZRAGAGUQAI-MRVPVSSYSA-N -1 0 313.310 -0.128 20 0 DBADRM Cn1nc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1OC(F)F ZINC001594562483 955808203 /nfs/dbraw/zinc/80/82/03/955808203.db2.gz AUJGIRHLEHCRSB-LLVKDONJSA-N -1 0 305.237 -0.005 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001589075919 955810552 /nfs/dbraw/zinc/81/05/52/955810552.db2.gz BGICBHHNPULFFY-APPZFPTMSA-N -1 0 303.340 -0.657 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC(C)(C)CN1CCOCC1 ZINC001594563573 955815805 /nfs/dbraw/zinc/81/58/05/955815805.db2.gz FJXWYAPHMMCYPU-UHFFFAOYSA-N -1 0 310.354 -0.041 20 0 DBADRM Cn1nc(C(=O)[O-])cc1-c1nc(-c2cn(C)c(=O)[nH]c2=O)no1 ZINC001594563871 955818045 /nfs/dbraw/zinc/81/80/45/955818045.db2.gz WIXPZJWBBPKQCQ-UHFFFAOYSA-N -1 0 318.249 -0.365 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC([C@@H](F)C(N)=O)CC1 ZINC001594564550 955827630 /nfs/dbraw/zinc/82/76/30/955827630.db2.gz YYGNMHLYENFWQA-SNVBAGLBSA-N -1 0 312.301 -0.206 20 0 DBADRM COC(=O)c1nccnc1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001593897692 955838972 /nfs/dbraw/zinc/83/89/72/955838972.db2.gz JYMHLSAXCLYWFS-SSDOTTSWSA-N -1 0 323.261 -0.895 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCN1C(=O)CSC1=O ZINC001594565530 955841439 /nfs/dbraw/zinc/84/14/39/955841439.db2.gz GPIQEYTXENRCOV-UHFFFAOYSA-N -1 0 312.307 -0.457 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001594565637 955841515 /nfs/dbraw/zinc/84/15/15/955841515.db2.gz IOVMNCAGWYMEGT-CYBMUJFWSA-N -1 0 324.293 -0.931 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)OCC(=O)NCC(F)(F)F ZINC001594569353 955863797 /nfs/dbraw/zinc/86/37/97/955863797.db2.gz SALXSPVMWPQNDI-UHFFFAOYSA-N -1 0 309.200 -0.046 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)[C@@H]1CCCOC1 ZINC001589086190 955901598 /nfs/dbraw/zinc/90/15/98/955901598.db2.gz HLTXUVGJHDSAJF-NXEZZACHSA-N -1 0 324.337 -0.163 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])c1ncnn1C ZINC001589086347 955902445 /nfs/dbraw/zinc/90/24/45/955902445.db2.gz ILJCZCSVPHVITG-ZETCQYMHSA-N -1 0 318.293 -0.276 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC001593905132 955903066 /nfs/dbraw/zinc/90/30/66/955903066.db2.gz DOWXGFFEROHHCJ-LBPRGKRZSA-N -1 0 321.333 -0.466 20 0 DBADRM C[C@@H](NC(=O)C(=O)NCCC(=O)[O-])c1nnc2ccccn21 ZINC001589086674 955907300 /nfs/dbraw/zinc/90/73/00/955907300.db2.gz RTSKCTZFJYJPHQ-MRVPVSSYSA-N -1 0 305.294 -0.503 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1)c1nnnn1C ZINC001589086854 955908581 /nfs/dbraw/zinc/90/85/81/955908581.db2.gz VUDVDRCCYOXGLL-ZETCQYMHSA-N -1 0 318.293 -0.276 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC001593905880 955911750 /nfs/dbraw/zinc/91/17/50/955911750.db2.gz VAOZGTUELPAEPL-QWRGUYRKSA-N -1 0 310.306 -0.014 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC001593906239 955918204 /nfs/dbraw/zinc/91/82/04/955918204.db2.gz RDURHEPLYAGHHM-BDAKNGLRSA-N -1 0 303.311 -0.345 20 0 DBADRM Cn1[nH]c([C@@H]2CCCN2C(=O)c2cc(C(=O)[O-])n[nH]2)nc1=N ZINC001594576178 955919518 /nfs/dbraw/zinc/91/95/18/955919518.db2.gz VTYUYNSOFCUFAL-QMMMGPOBSA-N -1 0 305.298 -0.374 20 0 DBADRM Cn1nc(CC(=O)OCC(=O)NCC(=O)[O-])c2ccccc21 ZINC001594577018 955925354 /nfs/dbraw/zinc/92/53/54/955925354.db2.gz PGUIXASCIAPRIX-UHFFFAOYSA-N -1 0 305.290 -0.140 20 0 DBADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C1(CO)CC1 ZINC001589090249 955928122 /nfs/dbraw/zinc/92/81/22/955928122.db2.gz BGGDCJNCAADRGP-SECBINFHSA-N -1 0 319.379 -0.457 20 0 DBADRM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)NCC(=O)[O-] ZINC001594577276 955928949 /nfs/dbraw/zinc/92/89/49/955928949.db2.gz RVOCYDQQOPZXJT-MRVPVSSYSA-N -1 0 310.310 -0.547 20 0 DBADRM C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)C(=O)NCC(F)(F)F ZINC001589090511 955930975 /nfs/dbraw/zinc/93/09/75/955930975.db2.gz DNCFCADNCZJXKI-LHLIQPBNSA-N -1 0 312.244 -0.197 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC001593906969 955931778 /nfs/dbraw/zinc/93/17/78/955931778.db2.gz MYZGCWHCEULNHO-SECBINFHSA-N -1 0 322.383 -0.546 20 0 DBADRM Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)NCCC(=O)[O-] ZINC001594577444 955931872 /nfs/dbraw/zinc/93/18/72/955931872.db2.gz VLVVULFJCXXXFO-VIFPVBQESA-N -1 0 324.337 -0.157 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1C[C@H](N2CCOCC2)C1(C)C ZINC001593907118 955933798 /nfs/dbraw/zinc/93/37/98/955933798.db2.gz RQEHYROZGCXEGX-VWYCJHECSA-N -1 0 300.355 -0.299 20 0 DBADRM Cn1nc2c(c1NC(=O)C(=O)N1CCC[C@H]1C(=O)[O-])CCC2 ZINC001594578331 955939728 /nfs/dbraw/zinc/93/97/28/955939728.db2.gz KFKKVFXMJSAZIA-JTQLQIEISA-N -1 0 306.322 -0.077 20 0 DBADRM Cn1ncc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c1N ZINC001594578829 955944140 /nfs/dbraw/zinc/94/41/40/955944140.db2.gz CCYNPNQSQFUKSN-SECBINFHSA-N -1 0 309.326 -0.802 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1nccn1C ZINC001589091598 955944967 /nfs/dbraw/zinc/94/49/67/955944967.db2.gz DWGIKILCTTYFKO-UWVGGRQHSA-N -1 0 308.338 -0.080 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCCc1ccccc1S(C)(=O)=O ZINC001593907766 955945348 /nfs/dbraw/zinc/94/53/48/955945348.db2.gz OIZHRPJLPUGFFN-NSHDSACASA-N -1 0 315.347 -0.152 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1ccnn1C ZINC001589091796 955949254 /nfs/dbraw/zinc/94/92/54/955949254.db2.gz HRUQSZVISDREMZ-UWVGGRQHSA-N -1 0 308.338 -0.080 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC001593908301 955951390 /nfs/dbraw/zinc/95/13/90/955951390.db2.gz HVCXORAJBKXGGO-SSDOTTSWSA-N -1 0 308.337 -0.889 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1ccc(CS(C)(=O)=O)cc1 ZINC001593909203 955958420 /nfs/dbraw/zinc/95/84/20/955958420.db2.gz RUQMRUUMHAUNJP-NSHDSACASA-N -1 0 315.347 -0.053 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1c(C(N)=O)c(SC)nn1C ZINC001593911430 955968410 /nfs/dbraw/zinc/96/84/10/955968410.db2.gz LAFOWXCYZUKWSJ-YFKPBYRVSA-N -1 0 302.312 -0.721 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN1CCC[C@@H](NS(C)(=O)=O)C1 ZINC001594581539 955976772 /nfs/dbraw/zinc/97/67/72/955976772.db2.gz WVOGQONHALWFLU-SECBINFHSA-N -1 0 316.383 -0.368 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC001593912339 955978170 /nfs/dbraw/zinc/97/81/70/955978170.db2.gz CSAKVQIDMIMOJT-LBPRGKRZSA-N -1 0 307.306 -0.339 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2C[C@H](O)C(C)(C)C2)c1C(=O)[O-] ZINC000387803953 972140172 /nfs/dbraw/zinc/14/01/72/972140172.db2.gz BFVKBSASDAJNKS-ZETCQYMHSA-N -1 0 303.340 -0.192 20 0 DBADRM C[C@H](NC(=O)COC(=O)[C@@H](C)C(=O)[O-])C(=O)N1CCCCC1 ZINC001589095423 955983399 /nfs/dbraw/zinc/98/33/99/955983399.db2.gz DVTGNQXFFYKEDP-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM Cc1nn(C)c(N2CC(n3cc(C(=O)[O-])nn3)C2)c1[N+](=O)[O-] ZINC000387806736 972141200 /nfs/dbraw/zinc/14/12/00/972141200.db2.gz PXAXBQUDFOVEPF-UHFFFAOYSA-N -1 0 307.270 -0.012 20 0 DBADRM C[C@@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)C1(S(C)(=O)=O)CC1 ZINC001589101329 955997877 /nfs/dbraw/zinc/99/78/77/955997877.db2.gz FBGCLIOTNAVCFI-BDAKNGLRSA-N -1 0 320.367 -0.553 20 0 DBADRM C[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)C1(S(C)(=O)=O)CC1 ZINC001589101334 955998085 /nfs/dbraw/zinc/99/80/85/955998085.db2.gz FBGCLIOTNAVCFI-RKDXNWHRSA-N -1 0 320.367 -0.553 20 0 DBADRM Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001594586208 955999726 /nfs/dbraw/zinc/99/97/26/955999726.db2.gz NHVJNJDYCGBVHV-GXSJLCMTSA-N -1 0 320.349 -0.153 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)O[C@@H](C)CS(=O)(=O)N1CCCC1 ZINC001593914040 956005167 /nfs/dbraw/zinc/00/51/67/956005167.db2.gz DIGROSYLJPNHGC-DTWKUNHWSA-N -1 0 309.340 -0.557 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)C(=O)Nc1cccnc1)C(=O)[O-] ZINC001594587232 956011558 /nfs/dbraw/zinc/01/15/58/956011558.db2.gz GBMSFUGGAIKZTE-SNVBAGLBSA-N -1 0 303.278 -0.304 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H](CO)c1nc(-c2ccccc2)no1 ZINC001593915029 956012387 /nfs/dbraw/zinc/01/23/87/956012387.db2.gz BYSAJHHEHQLYDA-VHSXEESVSA-N -1 0 321.289 -0.014 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)C(=O)Nc1cncnc1)C(=O)[O-] ZINC001594587993 956017404 /nfs/dbraw/zinc/01/74/04/956017404.db2.gz PRNGTCZMSDUGOS-SECBINFHSA-N -1 0 304.266 -0.909 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)O[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC001593915599 956019052 /nfs/dbraw/zinc/01/90/52/956019052.db2.gz PORDPOFMWXODNC-PSASIEDQSA-N -1 0 311.294 -0.523 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)Cn1nnc2c1CCCC2)C(=O)[O-] ZINC001594589069 956030303 /nfs/dbraw/zinc/03/03/03/956030303.db2.gz OSRQJEOGQKOXGL-CYBMUJFWSA-N -1 0 318.337 -0.168 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)Nc1cc(=O)n(C)cn1)C(=O)[O-] ZINC001594589124 956032113 /nfs/dbraw/zinc/03/21/13/956032113.db2.gz QJCLYLHIHCCKLI-SNVBAGLBSA-N -1 0 306.282 -0.539 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCCc2nnc[nH]2)nn1 ZINC000388002950 972151714 /nfs/dbraw/zinc/15/17/14/972151714.db2.gz BCZSTVPUOPWGBA-UHFFFAOYSA-N -1 0 308.302 -0.974 20 0 DBADRM Cn1nccc1[C@H](NC(=O)Nc1nccn(C)c1=O)C(=O)[O-] ZINC001594589923 956045713 /nfs/dbraw/zinc/04/57/13/956045713.db2.gz XGVOBYMFNFFPHO-QMMMGPOBSA-N -1 0 306.282 -0.539 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)c1ccoc1CC(N)=O)C(=O)[O-] ZINC001594589989 956045984 /nfs/dbraw/zinc/04/59/84/956045984.db2.gz BHLFDVHVAJFTFW-LLVKDONJSA-N -1 0 306.278 -0.403 20 0 DBADRM Cn1nccc1[C@@H](NCC(=O)N1CCOC[C@H]1C1CC1)C(=O)[O-] ZINC001594590070 956048077 /nfs/dbraw/zinc/04/80/77/956048077.db2.gz CONVBHQVPVSGCF-GXTWGEPZSA-N -1 0 322.365 -0.227 20 0 DBADRM Cn1nccc1[C@H](NS(=O)(=O)CCn1cccn1)C(=O)[O-] ZINC001594592859 956063891 /nfs/dbraw/zinc/06/38/91/956063891.db2.gz LOUANKSQJVFUPM-JTQLQIEISA-N -1 0 313.339 -0.638 20 0 DBADRM CO[C@H](C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O)[C@H]1CCOC1 ZINC001593920346 956070680 /nfs/dbraw/zinc/07/06/80/956070680.db2.gz PRXZDHRCLQRAFS-NGZCFLSTSA-N -1 0 301.295 -0.733 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)OCCN1C(=O)c2ccccc2C1=O ZINC001593921031 956077104 /nfs/dbraw/zinc/07/71/04/956077104.db2.gz WKTSFBJODASAHU-SNVBAGLBSA-N -1 0 307.258 -0.075 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC001593921868 956085683 /nfs/dbraw/zinc/08/56/83/956085683.db2.gz BRKLNDGEVSDWLA-GZMMTYOYSA-N -1 0 308.356 -0.997 20 0 DBADRM Cn1nnc(CNC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)n1 ZINC001594595973 956087804 /nfs/dbraw/zinc/08/78/04/956087804.db2.gz AHKMPIGZVNCINZ-XQVHRTOBSA-N -1 0 324.341 -0.578 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC[C@H](N2CCOCC2)C1 ZINC001593922222 956092062 /nfs/dbraw/zinc/09/20/62/956092062.db2.gz HKNUXTNBNVKMFP-SMDDNHRTSA-N -1 0 300.355 -0.201 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001593922373 956093269 /nfs/dbraw/zinc/09/32/69/956093269.db2.gz MEIMUIYOWIXULN-GWCFXTLKSA-N -1 0 312.326 -0.576 20 0 DBADRM Cn1nnc2c1CC[C@@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)C2 ZINC001594597192 956103754 /nfs/dbraw/zinc/10/37/54/956103754.db2.gz UEKFJHLPLMAZQZ-MRVPVSSYSA-N -1 0 319.325 -0.225 20 0 DBADRM Cn1nccc1[C@@H]1CN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001594597282 956104755 /nfs/dbraw/zinc/10/47/55/956104755.db2.gz SUUFKJCPYAOAGS-MNOVXSKESA-N -1 0 308.294 -0.451 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)C2(C(=O)[O-])CCCCC2)C1 ZINC001594598209 956111316 /nfs/dbraw/zinc/11/13/16/956111316.db2.gz MXSPTGWBRKQJIW-UHFFFAOYSA-N -1 0 308.338 -0.120 20 0 DBADRM Cn1nnnc1C1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001594598538 956114556 /nfs/dbraw/zinc/11/45/56/956114556.db2.gz UHOLFVWUHWCJFC-UHFFFAOYSA-N -1 0 305.298 -0.349 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)COc2ccccc2O)nn1 ZINC000388095012 972155342 /nfs/dbraw/zinc/15/53/42/972155342.db2.gz ONMDEBVHWUWSNW-UHFFFAOYSA-N -1 0 306.278 -0.123 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)[C@H](C(=O)[O-])C2CCCC2)C1 ZINC001594599352 956119017 /nfs/dbraw/zinc/11/90/17/956119017.db2.gz PDCUHMXDRVNHEY-SNVBAGLBSA-N -1 0 308.338 -0.264 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(S(C)(=O)=O)nn1 ZINC001593930431 956170180 /nfs/dbraw/zinc/17/01/80/956170180.db2.gz DGFLGKXMDIQOOY-JTQLQIEISA-N -1 0 303.296 -0.692 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000388270079 972162913 /nfs/dbraw/zinc/16/29/13/972162913.db2.gz NLHARJTYSRBMIH-UHFFFAOYSA-N -1 0 306.326 -0.314 20 0 DBADRM COC(C)(C)C(=O)COC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593935567 956218986 /nfs/dbraw/zinc/21/89/86/956218986.db2.gz KVLSGBMOIYIBOE-VIFPVBQESA-N -1 0 315.322 -0.153 20 0 DBADRM COC(C)(C)CN(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001593935572 956219336 /nfs/dbraw/zinc/21/93/36/956219336.db2.gz KYYSTFVAIYBDOV-SECBINFHSA-N -1 0 302.327 -0.818 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001593938016 956240632 /nfs/dbraw/zinc/24/06/32/956240632.db2.gz AOJMULKDXWZUOM-OUAUKWLOSA-N -1 0 314.338 -0.913 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1cc2n(n1)CCCC2)C(=O)[O-] ZINC001589138751 956252667 /nfs/dbraw/zinc/25/26/67/956252667.db2.gz TXAJIWVANHCSJG-CYBMUJFWSA-N -1 0 310.310 -0.890 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1cncc2c1CCCC2)C(=O)[O-] ZINC001589139158 956255933 /nfs/dbraw/zinc/25/59/33/956255933.db2.gz YUCKWBUMIDAPND-HNNXBMFYSA-N -1 0 321.333 -0.149 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1CCc2nnc(C3CC3)n2C1)C(=O)[O-] ZINC001589139641 956261579 /nfs/dbraw/zinc/26/15/79/956261579.db2.gz YLOAKLMIVRIYFV-OTYXRUKQSA-N -1 0 308.338 -0.330 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C(F)(F)F ZINC001593939226 956262123 /nfs/dbraw/zinc/26/21/23/956262123.db2.gz ZFWMEZXGLBDRGD-RNFRBKRXSA-N -1 0 314.260 -0.141 20 0 DBADRM C[C@](O)(CNC(=O)Cn1ccc2ccccc2c1=O)C(=O)[O-] ZINC001589140210 956262565 /nfs/dbraw/zinc/26/25/65/956262565.db2.gz FVUGFKANDGWVCN-HNNXBMFYSA-N -1 0 304.302 -0.047 20 0 DBADRM C[C@@](O)(CNC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC001589140336 956263991 /nfs/dbraw/zinc/26/39/91/956263991.db2.gz HKDJDSOCUZESAF-CYBMUJFWSA-N -1 0 305.294 -0.843 20 0 DBADRM COC1(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)CS(=O)(=O)C1 ZINC001593943079 956294308 /nfs/dbraw/zinc/29/43/08/956294308.db2.gz DHTUWXLXUIWRLE-DTWKUNHWSA-N -1 0 305.352 -0.631 20 0 DBADRM CO[C@]1(C(=O)NCCOCCOCC(=O)[O-])CCSC1 ZINC001593943195 956296007 /nfs/dbraw/zinc/29/60/07/956296007.db2.gz HNRMXGFVEWCDRW-GFCCVEGCSA-N -1 0 307.368 -0.258 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CCOC1 ZINC001593943232 956296508 /nfs/dbraw/zinc/29/65/08/956296508.db2.gz AYCRGBDZINNEFV-ZANVPECISA-N -1 0 302.327 -0.913 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CCOC1 ZINC001593943299 956298223 /nfs/dbraw/zinc/29/82/23/956298223.db2.gz DPGWEPQZHSFUAG-HZMBPMFUSA-N -1 0 314.338 -0.769 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CC1 ZINC001589146868 956299508 /nfs/dbraw/zinc/29/95/08/956299508.db2.gz NUAGPARUBYFANG-ZYHUDNBSSA-N -1 0 312.366 -0.071 20 0 DBADRM COc1ncc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)s1 ZINC000388395628 972169165 /nfs/dbraw/zinc/16/91/65/972169165.db2.gz WQQYYTJLLAHDEJ-SECBINFHSA-N -1 0 308.337 -0.326 20 0 DBADRM CO[C@]1(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001593943760 956304613 /nfs/dbraw/zinc/30/46/13/956304613.db2.gz RIGPICIYIOZONV-GBIKHYSHSA-N -1 0 319.379 -0.241 20 0 DBADRM COC1(CCn2nnnc2N2CCO[C@H](C(=O)[O-])C2)CCC1 ZINC001593943793 956305332 /nfs/dbraw/zinc/30/53/32/956305332.db2.gz QMBGTBATOROVKW-JTQLQIEISA-N -1 0 311.342 -0.078 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CCOC1 ZINC001593943868 956307126 /nfs/dbraw/zinc/30/71/26/956307126.db2.gz SOWDNEGIMFEHFR-IINYFYTJSA-N -1 0 316.354 -0.619 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC001589147343 956307439 /nfs/dbraw/zinc/30/74/39/956307439.db2.gz QYTDUKFZOFTFMK-VIFPVBQESA-N -1 0 307.306 -0.555 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001589147641 956310923 /nfs/dbraw/zinc/31/09/23/956310923.db2.gz TYNUYPJSAVZIHF-VIFPVBQESA-N -1 0 307.306 -0.555 20 0 DBADRM C[C@](O)(CO)CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589147700 956312501 /nfs/dbraw/zinc/31/25/01/956312501.db2.gz JTCKRMMWLUFGQL-SWLSCSKDSA-N -1 0 321.333 -0.435 20 0 DBADRM CO[C@H](Cn1nnnc1N(C)C[C@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC001593944551 956315999 /nfs/dbraw/zinc/31/59/99/956315999.db2.gz LLHRCGSILKDECP-GARJFASQSA-N -1 0 313.358 -0.119 20 0 DBADRM CO[C@H](Cn1nnnc1N(C)C[C@@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC001593944552 956316632 /nfs/dbraw/zinc/31/66/32/956316632.db2.gz LLHRCGSILKDECP-GMTAPVOTSA-N -1 0 313.358 -0.119 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1cccc2c1OCC2)C(=O)[O-] ZINC001589148025 956317186 /nfs/dbraw/zinc/31/71/86/956317186.db2.gz MVJZXDNTBALKSD-GFCCVEGCSA-N -1 0 301.320 -0.265 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-] ZINC001589148011 956318050 /nfs/dbraw/zinc/31/80/50/956318050.db2.gz MIUCIKLTTOXXCK-NSHDSACASA-N -1 0 316.291 -0.353 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N(C)CCC(=O)[O-] ZINC001589148146 956318250 /nfs/dbraw/zinc/31/82/50/956318250.db2.gz YXUNKQJWFQSCHK-CABZTGNLSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-] ZINC001589148295 956320337 /nfs/dbraw/zinc/32/03/37/956320337.db2.gz PPVJQDGXSLGVOJ-VIFPVBQESA-N -1 0 313.282 -0.738 20 0 DBADRM CO[C@]1(COC(=O)c2cccn(CC(=O)[O-])c2=O)CCOC1 ZINC001593945532 956323190 /nfs/dbraw/zinc/32/31/90/956323190.db2.gz AQWHQCMOYMOINX-CQSZACIVSA-N -1 0 311.290 -0.105 20 0 DBADRM CO[C@]1(CNC(=O)c2cc(C(=O)[O-])n[nH]2)CCS(=O)(=O)C1 ZINC001593945550 956323448 /nfs/dbraw/zinc/32/34/48/956323448.db2.gz BJYYFMYBPISIPW-NSHDSACASA-N -1 0 317.323 -0.959 20 0 DBADRM CO[C@]1(CNC(=O)[C@]2(C(=O)[O-])C[C@H]2C)CCS(=O)(=O)C1 ZINC001593945701 956325958 /nfs/dbraw/zinc/32/59/58/956325958.db2.gz GEMCXBSDKYJRSJ-ZHAHWJHGSA-N -1 0 305.352 -0.583 20 0 DBADRM C[C@@H](O)CN(C(=O)C(=O)Nc1ccccc1C(=O)[O-])[C@@H](C)CO ZINC001589152316 956335083 /nfs/dbraw/zinc/33/50/83/956335083.db2.gz MVFBKJVNYQPWRZ-VHSXEESVSA-N -1 0 324.333 -0.087 20 0 DBADRM CO[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1(C)C ZINC001593946982 956338500 /nfs/dbraw/zinc/33/85/00/956338500.db2.gz NLQYNBOVHVVUDE-BDAKNGLRSA-N -1 0 324.337 -0.164 20 0 DBADRM COC1(OC)CCOC[C@@H]1NC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001593947516 956344031 /nfs/dbraw/zinc/34/40/31/956344031.db2.gz KBXDUBZYRSQSBW-JOYOIKCWSA-N -1 0 303.311 -0.486 20 0 DBADRM CO[C@H]1CC[C@H](C)N(C(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC001593947967 956347115 /nfs/dbraw/zinc/34/71/15/956347115.db2.gz ZOQMGORHDSZZPH-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CCO1 ZINC001589153331 956347384 /nfs/dbraw/zinc/34/73/84/956347384.db2.gz PMTDABQPHBZAAW-BXKDBHETSA-N -1 0 322.317 -0.069 20 0 DBADRM CO[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)[C@H](C)C1 ZINC001593948871 956356086 /nfs/dbraw/zinc/35/60/86/956356086.db2.gz AGNMQONMYRWJQX-ZJUUUORDSA-N -1 0 324.337 -0.068 20 0 DBADRM C[C@H](O)c1cn(C2CN(C(=O)[C@@]3(C(=O)[O-])CCCO3)C2)nn1 ZINC001589154431 956364539 /nfs/dbraw/zinc/36/45/39/956364539.db2.gz UQEUBSRTKCYEBL-ISVAXAHUSA-N -1 0 310.310 -0.652 20 0 DBADRM NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)COCC(=O)[O-] ZINC001594636132 956373420 /nfs/dbraw/zinc/37/34/20/956373420.db2.gz BNDIOKDXPBWPKD-JTQLQIEISA-N -1 0 314.725 -0.046 20 0 DBADRM C[C@@H](OC(=O)CCCC(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001589156543 956376378 /nfs/dbraw/zinc/37/63/78/956376378.db2.gz STARJVLXIRCHSF-RKDXNWHRSA-N -1 0 321.351 -0.524 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593950571 956377210 /nfs/dbraw/zinc/37/72/10/956377210.db2.gz CACVLTNFRVWXRA-FUTJPDQTSA-N -1 0 313.350 -0.012 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001593950745 956380628 /nfs/dbraw/zinc/38/06/28/956380628.db2.gz FRJWLISQOXDLFJ-OUAUKWLOSA-N -1 0 302.327 -0.467 20 0 DBADRM NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001594637096 956383102 /nfs/dbraw/zinc/38/31/02/956383102.db2.gz VIPXRRLTMKEAKW-KOLCDFICSA-N -1 0 305.290 -0.571 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC001594637976 956387197 /nfs/dbraw/zinc/38/71/97/956387197.db2.gz HCKRRWAAVSQSOE-BYDTYLDUSA-N -1 0 307.262 -0.263 20 0 DBADRM CO[C@H]1COCC[C@@H]1N(C)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593951236 956388016 /nfs/dbraw/zinc/38/80/16/956388016.db2.gz LUXDHQWGRRDHSK-NAKRPEOUSA-N -1 0 314.338 -0.772 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593951418 956390736 /nfs/dbraw/zinc/39/07/36/956390736.db2.gz ONZPBTSJZXIQRC-KATARQTJSA-N -1 0 320.367 -0.649 20 0 DBADRM NC(=O)C1(NC(=O)c2cccn(CC(=O)[O-])c2=O)CCCCC1 ZINC001594638253 956392113 /nfs/dbraw/zinc/39/21/13/956392113.db2.gz LUENKMNBDUDCOG-UHFFFAOYSA-N -1 0 321.333 -0.149 20 0 DBADRM C[C@H](OC(=O)C(C)(C)C(=O)[O-])C(=O)NCCN1CCOCC1 ZINC001589159468 956396395 /nfs/dbraw/zinc/39/63/95/956396395.db2.gz VEYYVZBGIXHPKO-JTQLQIEISA-N -1 0 316.354 -0.523 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)OCCc2cn(CC(=O)[O-])nn2)C1 ZINC001594638793 956396831 /nfs/dbraw/zinc/39/68/31/956396831.db2.gz SJSOMVNQTXQRPW-NXEZZACHSA-N -1 0 324.337 -0.260 20 0 DBADRM COCC(C)(C)CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593952113 956400791 /nfs/dbraw/zinc/40/07/91/956400791.db2.gz AGQZZQFNLQBPFC-UHFFFAOYSA-N -1 0 312.326 -0.305 20 0 DBADRM NC(=O)[C@H]1c2ccccc2CCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001594639233 956402418 /nfs/dbraw/zinc/40/24/18/956402418.db2.gz TYBIIWZOPBDFOY-VXGBXAGGSA-N -1 0 317.301 -0.173 20 0 DBADRM COCC(C)(C)N1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001593952174 956402409 /nfs/dbraw/zinc/40/24/09/956402409.db2.gz DFUJVPXODSVNLJ-LLVKDONJSA-N -1 0 313.354 -0.215 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CC1 ZINC001594639484 956404253 /nfs/dbraw/zinc/40/42/53/956404253.db2.gz WVDSBTLQJLDXSD-NXEZZACHSA-N -1 0 314.338 -0.905 20 0 DBADRM NC(=O)CC1CC(NC(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001594639636 956406645 /nfs/dbraw/zinc/40/66/45/956406645.db2.gz XRFHWZSOZSIUTQ-UHFFFAOYSA-N -1 0 307.306 -0.683 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001593955074 956421782 /nfs/dbraw/zinc/42/17/82/956421782.db2.gz XQVWMEIOHJDTLR-YGRLFVJLSA-N -1 0 316.354 -0.665 20 0 DBADRM COC[C@H](C)n1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC001593955908 956422826 /nfs/dbraw/zinc/42/28/26/956422826.db2.gz BTZCMFCLTBCZME-VHSXEESVSA-N -1 0 324.337 -0.038 20 0 DBADRM NC(=O)CN1CCN(CCOc2ccccc2C(=O)[O-])CC1 ZINC001594641688 956425639 /nfs/dbraw/zinc/42/56/39/956425639.db2.gz YRKSNPKOGVAOSO-UHFFFAOYSA-N -1 0 307.350 -0.134 20 0 DBADRM NC(=O)CSCC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594642293 956428398 /nfs/dbraw/zinc/42/83/98/956428398.db2.gz MGVIBJFGHHZZRF-JVVWGOMOSA-N -1 0 316.379 -0.267 20 0 DBADRM COC[C@H](C)OC[C@H](O)CN1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001593956422 956430820 /nfs/dbraw/zinc/43/08/20/956430820.db2.gz WIRIQTCVGBNOFQ-SCRDCRAPSA-N -1 0 321.370 -0.799 20 0 DBADRM NC(=O)N1CC[C@@H](CNC(=O)C2(CC(=O)[O-])CCOCC2)C1 ZINC001594644308 956433511 /nfs/dbraw/zinc/43/35/11/956433511.db2.gz DVCJLBQWOANDIC-JTQLQIEISA-N -1 0 313.354 -0.225 20 0 DBADRM COC[C@H](NC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1)C1CC1 ZINC001593956600 956434440 /nfs/dbraw/zinc/43/44/40/956434440.db2.gz FFXHTNNRPCOKBQ-FZMZJTMJSA-N -1 0 316.354 -0.077 20 0 DBADRM COC[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1 ZINC001593956817 956436393 /nfs/dbraw/zinc/43/63/93/956436393.db2.gz KCPBZILTYVMHAK-VWYCJHECSA-N -1 0 314.338 -0.770 20 0 DBADRM NC(=O)N[C@@H](CO)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594645299 956437556 /nfs/dbraw/zinc/43/75/56/956437556.db2.gz PTHADAVPJUZOPA-TUAOUCFPSA-N -1 0 321.333 -0.658 20 0 DBADRM NC(=O)N1CCCN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CC1 ZINC001594645950 956438720 /nfs/dbraw/zinc/43/87/20/956438720.db2.gz YJCHQGICRVVWQT-QWRGUYRKSA-N -1 0 313.354 -0.131 20 0 DBADRM COC[C@@H](CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)OC ZINC001593957143 956441699 /nfs/dbraw/zinc/44/16/99/956441699.db2.gz AVQIKEMXURQWAF-GHMZBOCLSA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@@H](SCC(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC001589168530 956444411 /nfs/dbraw/zinc/44/44/11/956444411.db2.gz GXRRXAIFNISDSZ-SECBINFHSA-N -1 0 304.368 -0.490 20 0 DBADRM NC(=O)NCCCCC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001594647708 956446382 /nfs/dbraw/zinc/44/63/82/956446382.db2.gz ZRDWBPZWKZHSLW-UHFFFAOYSA-N -1 0 301.343 -0.035 20 0 DBADRM COC[C@H](CS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C)OC ZINC001593957404 956446527 /nfs/dbraw/zinc/44/65/27/956446527.db2.gz SMTPILHPJSEJQN-SCZZXKLOSA-N -1 0 321.355 -0.873 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1)OC ZINC001593957903 956454549 /nfs/dbraw/zinc/45/45/49/956454549.db2.gz NJYATHJZFHSVSJ-SNVBAGLBSA-N -1 0 311.294 -0.504 20 0 DBADRM COC[C@@H](NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)C(N)=O ZINC001593958024 956455303 /nfs/dbraw/zinc/45/53/03/956455303.db2.gz YEPYXEPBMLFCCB-SSDOTTSWSA-N -1 0 313.314 -0.675 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)N1CCC(C(=O)[O-])CC1)OC ZINC001593958064 956457040 /nfs/dbraw/zinc/45/70/40/956457040.db2.gz OIUVQCSILVPXIT-SNVBAGLBSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@H](CO)NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001593958271 956460428 /nfs/dbraw/zinc/46/04/28/956460428.db2.gz VXIUHJYQSVWXMZ-GXFFZTMASA-N -1 0 321.333 -0.171 20 0 DBADRM NC(=O)c1ccc(/C=C\C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)o1 ZINC001594649466 956460515 /nfs/dbraw/zinc/46/05/15/956460515.db2.gz GTQFUEPCODLQKC-RQORLACOSA-N -1 0 320.301 -0.049 20 0 DBADRM C[C@H](SCCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC001589169702 956462311 /nfs/dbraw/zinc/46/23/11/956462311.db2.gz YQGIOWSNSAJWRS-ZETCQYMHSA-N -1 0 312.351 -0.360 20 0 DBADRM COC[C@]1(C(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)CCOC1 ZINC001593958554 956464600 /nfs/dbraw/zinc/46/46/00/956464600.db2.gz GVDOHVAJYINILH-KGLIPLIRSA-N -1 0 317.338 -0.632 20 0 DBADRM NC(=O)c1cccc(CCNC(=O)[C@H]2CC(C(=O)[O-])=NO2)c1 ZINC001594650227 956469707 /nfs/dbraw/zinc/46/97/07/956469707.db2.gz YQCSFARBFCHYTJ-LLVKDONJSA-N -1 0 305.290 -0.326 20 0 DBADRM NC(=O)c1ccc(C[NH2+]CCS(=O)(=O)CC(=O)[O-])cc1 ZINC001594650464 956470785 /nfs/dbraw/zinc/47/07/85/956470785.db2.gz BMIRTROVEQJDHP-UHFFFAOYSA-N -1 0 300.336 -0.626 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC2CCOCC2)C1 ZINC001593959405 956471535 /nfs/dbraw/zinc/47/15/35/956471535.db2.gz XBJGFGBDCWKBGG-CQSZACIVSA-N -1 0 314.338 -0.769 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC2CCOCC2)C1 ZINC001593959404 956471611 /nfs/dbraw/zinc/47/16/11/956471611.db2.gz XBJGFGBDCWKBGG-AWEZNQCLSA-N -1 0 314.338 -0.769 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C2CCS(=O)(=O)CC2)C1 ZINC001593959717 956474212 /nfs/dbraw/zinc/47/42/12/956474212.db2.gz CWCLHQJFGLKBFT-CYBMUJFWSA-N -1 0 319.379 -0.239 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C2CCS(=O)(=O)CC2)C1 ZINC001593959718 956474851 /nfs/dbraw/zinc/47/48/51/956474851.db2.gz CWCLHQJFGLKBFT-ZDUSSCGKSA-N -1 0 319.379 -0.239 20 0 DBADRM NC(=O)c1cn(CCCCNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])nn1 ZINC001594653061 956483110 /nfs/dbraw/zinc/48/31/10/956483110.db2.gz ANGDLNHXVJOUEW-RKDXNWHRSA-N -1 0 309.326 -0.616 20 0 DBADRM NC(=O)c1cn(CCCCNC(=O)N2CC[C@H](C(=O)[O-])C2)nn1 ZINC001594653460 956486418 /nfs/dbraw/zinc/48/64/18/956486418.db2.gz LTUZZSZUHZWXAU-VIFPVBQESA-N -1 0 324.341 -0.727 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC001594653885 956491772 /nfs/dbraw/zinc/49/17/72/956491772.db2.gz FPMRXRBAQNWJKJ-SECBINFHSA-N -1 0 319.383 -0.296 20 0 DBADRM NC(=O)c1ncn(CC(=O)Nc2ccc(C(=O)[O-])cc2F)n1 ZINC001594654277 956495189 /nfs/dbraw/zinc/49/51/89/956495189.db2.gz OYUJAJHZFWWHAB-UHFFFAOYSA-N -1 0 307.241 -0.147 20 0 DBADRM NC(=O)c1ncn(CC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1 ZINC001594654496 956495839 /nfs/dbraw/zinc/49/58/39/956495839.db2.gz PNUTWVHGLMKWHX-UTLUCORTSA-N -1 0 321.337 -0.379 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)Cc2nc3ncccn3n2)C1 ZINC001593962217 956498680 /nfs/dbraw/zinc/49/86/80/956498680.db2.gz DETZKEAMBVEESQ-CQSZACIVSA-N -1 0 319.321 -0.384 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCC2N=NC(=O)N2C)C1 ZINC001593962188 956498906 /nfs/dbraw/zinc/49/89/06/956498906.db2.gz KEBICKTWOPCEED-LBPRGKRZSA-N -1 0 313.314 -0.847 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NC[C@@H](C)S(C)(=O)=O)C1 ZINC001593963115 956511368 /nfs/dbraw/zinc/51/13/68/956511368.db2.gz GWUNGEVQZXNIDU-SKDRFNHKSA-N -1 0 322.383 -0.448 20 0 DBADRM NS(=O)(=O)c1ccc(NC(=O)[C@]2(C(=O)[O-])CCCO2)cc1 ZINC001594660583 956533157 /nfs/dbraw/zinc/53/31/57/956533157.db2.gz VSQPTXYLHXDDOW-LBPRGKRZSA-N -1 0 314.319 -0.094 20 0 DBADRM C[C@@]1(C(=O)Nc2cnn(CC(=O)[O-])c2)CCCS1(=O)=O ZINC001589183676 956547475 /nfs/dbraw/zinc/54/74/75/956547475.db2.gz HNRGXTIBECKRBR-NSHDSACASA-N -1 0 301.324 -0.127 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC001589184511 956554005 /nfs/dbraw/zinc/55/40/05/956554005.db2.gz XWJXPXFTWFACBP-LBPRGKRZSA-N -1 0 319.383 -0.632 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2CCO)C1 ZINC001589188108 956574854 /nfs/dbraw/zinc/57/48/54/956574854.db2.gz RSSPKBDSJGBHGC-HFAKWTLXSA-N -1 0 312.366 -0.023 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(Cn2nc3n(c2=O)CCCC3)C1 ZINC001593968243 956584867 /nfs/dbraw/zinc/58/48/67/956584867.db2.gz ROSAKCLFPZUZAQ-AWEZNQCLSA-N -1 0 310.354 -0.238 20 0 DBADRM Nc1nnc(CC(=O)NCC2(C(=O)[O-])CCOCC2)s1 ZINC001594668283 956597237 /nfs/dbraw/zinc/59/72/37/956597237.db2.gz TXYXTDNUMGIVDT-UHFFFAOYSA-N -1 0 300.340 -0.340 20 0 DBADRM Nc1nnc([C@@H]2CCCN([C@H]3CCN(CC(=O)[O-])C3=O)C2)o1 ZINC001594668402 956599644 /nfs/dbraw/zinc/59/96/44/956599644.db2.gz WDRPNDOILKVSQS-BDAKNGLRSA-N -1 0 309.326 -0.483 20 0 DBADRM O=C(/C=C\CN1CCOCC1)NCC1(C(=O)[O-])CCOCC1 ZINC001594668772 956601406 /nfs/dbraw/zinc/60/14/06/956601406.db2.gz WMPTUDQBSZBRIT-UPHRSURJSA-N -1 0 312.366 -0.128 20 0 DBADRM O=C([O-])c1ccc(/C=C/C(=O)N[C@@H](CO)CN2CCOCC2)o1 ZINC001594669645 956607472 /nfs/dbraw/zinc/60/74/72/956607472.db2.gz FKAIJUXGKUMUKK-JRBALWBOSA-N -1 0 324.333 -0.200 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCC2CCOCC2)CCO1 ZINC001593970690 956611094 /nfs/dbraw/zinc/61/10/94/956611094.db2.gz LSDQUHOMWNSRES-CQSZACIVSA-N -1 0 316.354 -0.075 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)CCO1 ZINC001593971414 956622690 /nfs/dbraw/zinc/62/26/90/956622690.db2.gz GCWOYPFPEHPIHZ-SQYUCLKFSA-N -1 0 311.334 -0.070 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCn3ccnc3C2)CCO1 ZINC001593971960 956628960 /nfs/dbraw/zinc/62/89/60/956628960.db2.gz ILDGKKKOMUKBLJ-ABAIWWIYSA-N -1 0 323.349 -0.226 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)COCC(F)(F)F)CCO1 ZINC001593972186 956631374 /nfs/dbraw/zinc/63/13/74/956631374.db2.gz FVFCODYQMUUKLU-SNVBAGLBSA-N -1 0 315.244 -0.106 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CC2(C1)C[C@H](O)CNC2=O ZINC001589200756 956631983 /nfs/dbraw/zinc/63/19/83/956631983.db2.gz ANHLMRWQFNNAKA-VIFPVBQESA-N -1 0 324.377 -0.167 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)COCc2cccnc2)CCO1 ZINC001593972662 956635268 /nfs/dbraw/zinc/63/52/68/956635268.db2.gz HDYDYDMJUFZLQO-HNNXBMFYSA-N -1 0 324.333 -0.073 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(c2nnnn2CCCN2CCCC2=O)C1 ZINC001589203753 956650667 /nfs/dbraw/zinc/65/06/67/956650667.db2.gz UBNAXQLEHDTYCM-CQSZACIVSA-N -1 0 322.369 -0.013 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CCO1 ZINC001593974451 956651972 /nfs/dbraw/zinc/65/19/72/956651972.db2.gz QJDJFNYBHBIZRW-FZMZJTMJSA-N -1 0 318.345 -0.251 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)/C=C/c2cnn(C)c2)CCO1 ZINC001593975447 956660818 /nfs/dbraw/zinc/66/08/18/956660818.db2.gz UXAWUHQEEOPXDF-RDFMZFSFSA-N -1 0 309.322 -0.238 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC[C@]1(CO)COCCN1 ZINC001589205775 956664355 /nfs/dbraw/zinc/66/43/55/956664355.db2.gz ZCJSSDJKUINOAI-AWEZNQCLSA-N -1 0 314.382 -0.410 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CCOCC(F)F)CCO1 ZINC001593976388 956667566 /nfs/dbraw/zinc/66/75/66/956667566.db2.gz XWFJLUSMYWYLOI-GFCCVEGCSA-N -1 0 311.281 -0.013 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@]2(C)CCN(C)C2=O)CCO1 ZINC001593976444 956668899 /nfs/dbraw/zinc/66/88/99/956668899.db2.gz YKBUJPPINOAKAL-ZIAGYGMSSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H]2CCn3cncc3C2)CCO1 ZINC001593976752 956671213 /nfs/dbraw/zinc/67/12/13/956671213.db2.gz ZJWIXOJRIDKHFJ-NHYWBVRUSA-N -1 0 323.349 -0.226 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CCO1 ZINC001593977477 956678428 /nfs/dbraw/zinc/67/84/28/956678428.db2.gz BJPDPZNPCBTDRP-NJBDSQKTSA-N -1 0 314.338 -0.182 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2c(C)nn(C)c2C)CCO1 ZINC001593977538 956678706 /nfs/dbraw/zinc/67/87/06/956678706.db2.gz LBNVNDPMCBXBHF-AWEZNQCLSA-N -1 0 311.338 -0.021 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2c3c(nn2C)CCC3)CCO1 ZINC001593977661 956680080 /nfs/dbraw/zinc/68/00/80/956680080.db2.gz MLLLSMLTVUXVJA-HNNXBMFYSA-N -1 0 323.349 -0.149 20 0 DBADRM CC1(C)[C@H](O)C[C@@H]1NC(=O)NCCOCCOCC(=O)[O-] ZINC001589210111 956682004 /nfs/dbraw/zinc/68/20/04/956682004.db2.gz WEMZSHJMXQUFBX-VHSXEESVSA-N -1 0 304.343 -0.437 20 0 DBADRM CC1(C)C[C@H](NC(=O)NCCOCCOCC(=O)[O-])CO1 ZINC001589211301 956690546 /nfs/dbraw/zinc/69/05/46/956690546.db2.gz HTPXFUKPBMMHJW-JTQLQIEISA-N -1 0 304.343 -0.029 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCc2nonc2C)CCO1 ZINC001593979323 956698373 /nfs/dbraw/zinc/69/83/73/956698373.db2.gz VZYRMEIFKFIPKZ-LBPRGKRZSA-N -1 0 314.298 -0.610 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CO1 ZINC001589212653 956705302 /nfs/dbraw/zinc/70/53/02/956705302.db2.gz QQVCDJCYQLNXFR-GBIKHYSHSA-N -1 0 319.379 -0.083 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC(NS(N)(=O)=O)CC1 ZINC001589212767 956706911 /nfs/dbraw/zinc/70/69/11/956706911.db2.gz SOISQXFDOVLNRV-LBPRGKRZSA-N -1 0 319.383 -0.729 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cncc(C=O)c2)CCO1 ZINC001593981533 956716071 /nfs/dbraw/zinc/71/60/71/956716071.db2.gz BPJQYUCIYNNOTE-CQSZACIVSA-N -1 0 308.290 -0.164 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cnn3cccnc23)CCO1 ZINC001593982819 956724077 /nfs/dbraw/zinc/72/40/77/956724077.db2.gz JJTGQMYHUALQOD-CQSZACIVSA-N -1 0 320.305 -0.329 20 0 DBADRM COC[C@@]1(C(=O)OC)CCCCN1C(=O)[C@H](OC)C(=O)[O-] ZINC001593983649 956735449 /nfs/dbraw/zinc/73/54/49/956735449.db2.gz AKDSWMKDCPXVCM-TVQRCGJNSA-N -1 0 303.311 -0.343 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cn(C3CC3)nn2)CCO1 ZINC001593983797 956738532 /nfs/dbraw/zinc/73/85/32/956738532.db2.gz QWRXHYCUFXSCJY-CYBMUJFWSA-N -1 0 310.310 -0.445 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2nnnn2CCC2CC2)CCO1 ZINC001593984379 956748443 /nfs/dbraw/zinc/74/84/43/956748443.db2.gz ILHSFABQRPNFTR-CYBMUJFWSA-N -1 0 311.342 -0.220 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001589218869 956748966 /nfs/dbraw/zinc/74/89/66/956748966.db2.gz FHDJFKCVIZMNGE-CYBMUJFWSA-N -1 0 305.294 -0.465 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2ncnc3[nH]ccc32)CCO1 ZINC001593984555 956751629 /nfs/dbraw/zinc/75/16/29/956751629.db2.gz ZBVKITJYYHSLKK-AWEZNQCLSA-N -1 0 320.305 -0.148 20 0 DBADRM O=C(CN1CCS(=O)(=O)CC1)OCCC1(C(=O)[O-])CCC1 ZINC001594695876 956769942 /nfs/dbraw/zinc/76/99/42/956769942.db2.gz CLNPTWGYSAKBDB-UHFFFAOYSA-N -1 0 319.379 -0.095 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2nnnn2[C@H]2C=CCC2)CCO1 ZINC001593985766 956774620 /nfs/dbraw/zinc/77/46/20/956774620.db2.gz VDTDYXLZIJKEOG-GXFFZTMASA-N -1 0 309.326 -0.129 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(Cc2cc(=O)c(OC)co2)CCO1 ZINC001593986122 956782919 /nfs/dbraw/zinc/78/29/19/956782919.db2.gz NYDGBKVLNWFQPD-CQSZACIVSA-N -1 0 313.306 -0.050 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)CNC(=O)c2ccc(F)cc2)CCOC1 ZINC001594697330 956785172 /nfs/dbraw/zinc/78/51/72/956785172.db2.gz DSEITGGZUXSOKL-CQSZACIVSA-N -1 0 310.281 -0.085 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CCCS(=O)(=O)N(C)C)CCO1 ZINC001593986319 956786806 /nfs/dbraw/zinc/78/68/06/956786806.db2.gz TXGJHBJFMAGFHN-GFCCVEGCSA-N -1 0 324.399 -0.930 20 0 DBADRM O=C([O-])C1(C(=O)OCC(=O)[C@H]2CCS(=O)(=O)C2)CCC1 ZINC001594698319 956796002 /nfs/dbraw/zinc/79/60/02/956796002.db2.gz DYJBRQKOWPBWDY-QMMMGPOBSA-N -1 0 304.320 -0.212 20 0 DBADRM CC1(C)CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CCS1(=O)=O ZINC001589226215 956798034 /nfs/dbraw/zinc/79/80/34/956798034.db2.gz FHVNHERWEUEDGR-SECBINFHSA-N -1 0 318.351 -0.358 20 0 DBADRM CC1(C)CCN(CN2C[C@H](C(=O)[O-])CC2=O)CCS1(=O)=O ZINC001589226456 956802351 /nfs/dbraw/zinc/80/23/51/956802351.db2.gz VDOTUKRSOHRDRD-SNVBAGLBSA-N -1 0 318.395 -0.224 20 0 DBADRM CC1(C)CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CC[C@H]1O ZINC001589227252 956809632 /nfs/dbraw/zinc/80/96/32/956809632.db2.gz SAZONPNOESXHMY-SECBINFHSA-N -1 0 324.337 -0.474 20 0 DBADRM COCC1(NC(=O)c2cccn(CC(=O)[O-])c2=O)CCOCC1 ZINC001593989064 956812982 /nfs/dbraw/zinc/81/29/82/956812982.db2.gz VTAPNMJPTAXQPV-UHFFFAOYSA-N -1 0 324.333 -0.142 20 0 DBADRM CC1(C)CN(C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@H](CO)O1 ZINC001589231510 956826871 /nfs/dbraw/zinc/82/68/71/956826871.db2.gz RIOHMNSCVXNBAK-SECBINFHSA-N -1 0 312.326 -0.029 20 0 DBADRM COC[C@@H]1COCCN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001593989942 956826959 /nfs/dbraw/zinc/82/69/59/956826959.db2.gz MGAFLCNWYZTITN-LLVKDONJSA-N -1 0 316.354 -0.075 20 0 DBADRM COCC[C@@](C)(O)CNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593990196 956831174 /nfs/dbraw/zinc/83/11/74/956831174.db2.gz XMYMKNIPOPYIGW-CQSZACIVSA-N -1 0 312.322 -0.550 20 0 DBADRM CC1(C)COC[C@@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589234776 956843536 /nfs/dbraw/zinc/84/35/36/956843536.db2.gz ZINKLYHQPOTGRC-QMMMGPOBSA-N -1 0 310.310 -0.553 20 0 DBADRM CC1(C)[C@@H](NC(=O)C2(CC(=O)[O-])CCOCC2)CS1(=O)=O ZINC001589238428 956848249 /nfs/dbraw/zinc/84/82/49/956848249.db2.gz QAHBTHGSYNQXMZ-VIFPVBQESA-N -1 0 319.379 -0.050 20 0 DBADRM O=C([O-])c1ccccc1CC(=O)NCCN1C(=O)CNC1=O ZINC001594708284 956858812 /nfs/dbraw/zinc/85/88/12/956858812.db2.gz YPEYMACDBYTOSD-UHFFFAOYSA-N -1 0 305.290 -0.405 20 0 DBADRM CC1(C)OCC[C@H]1NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589239734 956867759 /nfs/dbraw/zinc/86/77/59/956867759.db2.gz JUDHLTFKXUKCIP-SECBINFHSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@]1(CCCC(=O)Nc2cnn(CC(=O)[O-])c2)NC(=O)NC1=O ZINC001589239819 956869212 /nfs/dbraw/zinc/86/92/12/956869212.db2.gz QUQSVXRJIFFWLN-ZDUSSCGKSA-N -1 0 323.309 -0.325 20 0 DBADRM C[C@@]1(C[C@@H]2CCCN2C(=O)C2(C(=O)[O-])CC2)NC(=O)NC1=O ZINC001589240306 956878675 /nfs/dbraw/zinc/87/86/75/956878675.db2.gz ZQMPHSLTFUJAOH-SDBXPKJASA-N -1 0 309.322 -0.170 20 0 DBADRM COCCCn1nc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)ccc1=O ZINC001593995199 956880748 /nfs/dbraw/zinc/88/07/48/956880748.db2.gz IKFXRLYIZZVAPD-UHFFFAOYSA-N -1 0 321.293 -0.047 20 0 DBADRM CC1(C)OCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001589240758 956884671 /nfs/dbraw/zinc/88/46/71/956884671.db2.gz XTMXGCHCZSQMKA-NXEZZACHSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCCCO1 ZINC001589240905 956885644 /nfs/dbraw/zinc/88/56/44/956885644.db2.gz BWJOKVXXAKWORL-HZMBPMFUSA-N -1 0 314.338 -0.626 20 0 DBADRM O=C([O-])C(=O)COC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 ZINC001594714272 956906179 /nfs/dbraw/zinc/90/61/79/956906179.db2.gz AWTKAJFTKMICHO-UHFFFAOYSA-N -1 0 306.230 -0.701 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@](C)(CO)C2)C1 ZINC001589245617 956912884 /nfs/dbraw/zinc/91/28/84/956912884.db2.gz LSDDBQYXHMSEGL-CABCVRRESA-N -1 0 312.366 -0.069 20 0 DBADRM COCCN(CC(=O)[O-])Cc1ccc(S(N)(=O)=O)s1 ZINC001593999629 956915479 /nfs/dbraw/zinc/91/54/79/956915479.db2.gz LZSWUOAMPKRIES-UHFFFAOYSA-N -1 0 308.381 -0.072 20 0 DBADRM O=C([O-])[C@@]1(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CCCO1 ZINC001594714972 956916204 /nfs/dbraw/zinc/91/62/04/956916204.db2.gz RTUMJCNXYRBQQW-AWEZNQCLSA-N -1 0 322.321 -0.266 20 0 DBADRM O=C([O-])C1(C(=O)Nc2cnn(CC(=O)NCCO)c2)CC=CC1 ZINC001594714988 956917876 /nfs/dbraw/zinc/91/78/76/956917876.db2.gz STUTWPFRSBLLJH-UHFFFAOYSA-N -1 0 322.321 -0.649 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@]1(C)CO ZINC001594000752 956927122 /nfs/dbraw/zinc/92/71/22/956927122.db2.gz CHMQPQVODDWWEY-CQSZACIVSA-N -1 0 316.354 -0.691 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC001594000807 956927262 /nfs/dbraw/zinc/92/72/62/956927262.db2.gz FDFOWDHBTXGONK-OUAUKWLOSA-N -1 0 316.354 -0.382 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@H](O)[C@H](C)C1 ZINC001594001480 956933346 /nfs/dbraw/zinc/93/33/46/956933346.db2.gz RXZWAPOVMCHLOJ-GHMZBOCLSA-N -1 0 316.354 -0.835 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001594002483 956940611 /nfs/dbraw/zinc/94/06/11/956940611.db2.gz NHRZWDVHZOGOLF-JTQLQIEISA-N -1 0 305.352 -0.116 20 0 DBADRM CC1(Cn2cc(C(=O)N[C@]3(C(=O)[O-])CCOC3)nn2)COC1 ZINC001589248047 956950024 /nfs/dbraw/zinc/95/00/24/956950024.db2.gz XYMBYYCNUNKTFP-CYBMUJFWSA-N -1 0 310.310 -0.712 20 0 DBADRM C[C@]1(Cn2nnnc2N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCOC1 ZINC001589248071 956950725 /nfs/dbraw/zinc/95/07/25/956950725.db2.gz ZGIFQSGUCVQREG-LERXQTSPSA-N -1 0 323.353 -0.363 20 0 DBADRM C[C@@]1(O)CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001589249958 956956490 /nfs/dbraw/zinc/95/64/90/956956490.db2.gz PIDLWGQTNFNFHU-CYBMUJFWSA-N -1 0 310.310 -0.720 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@@H]1COCC[C@H]1OC ZINC001594005685 956970715 /nfs/dbraw/zinc/97/07/15/956970715.db2.gz VVSHBWJCTTVDSA-GHMZBOCLSA-N -1 0 304.343 -0.077 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001594008271 956984326 /nfs/dbraw/zinc/98/43/26/956984326.db2.gz RKWQIEQSGQGLTF-UHFFFAOYSA-N -1 0 308.294 -0.002 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589256536 956998068 /nfs/dbraw/zinc/99/80/68/956998068.db2.gz IMLDTWUCGLOKGL-BDAKNGLRSA-N -1 0 315.351 -0.109 20 0 DBADRM C[C@@H]1C(=O)N(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)C(=O)N1C ZINC001589258300 957017889 /nfs/dbraw/zinc/01/78/89/957017889.db2.gz HTHREWIAGHKXDY-IWSPIJDZSA-N -1 0 313.310 -0.430 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589258606 957020820 /nfs/dbraw/zinc/02/08/20/957020820.db2.gz JYRGDMHSZIZNCI-SSDOTTSWSA-N -1 0 306.278 -0.935 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001589258756 957021601 /nfs/dbraw/zinc/02/16/01/957021601.db2.gz LRKOBAHWERWCBJ-MRVPVSSYSA-N -1 0 305.356 -0.852 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)C1 ZINC001594730996 957039081 /nfs/dbraw/zinc/03/90/81/957039081.db2.gz IUAKZYOTAZGZAO-GMTAPVOTSA-N -1 0 323.349 -0.811 20 0 DBADRM COCCOCCN1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001594017371 957044565 /nfs/dbraw/zinc/04/45/65/957044565.db2.gz IAROMVKZNABAAM-QWHCGFSZSA-N -1 0 314.382 -0.096 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589262804 957052444 /nfs/dbraw/zinc/05/24/44/957052444.db2.gz AAPBKUGLGQGSHD-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@@](C)(OC)C(=O)[O-])C1 ZINC001594018418 957055490 /nfs/dbraw/zinc/05/54/90/957055490.db2.gz DJBUAEMNDBEINO-JTNHKYCSSA-N -1 0 319.354 -0.652 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)F)C2)C1 ZINC001594734618 957057867 /nfs/dbraw/zinc/05/78/67/957057867.db2.gz FPKHZVSNDGBRHS-RKDXNWHRSA-N -1 0 319.308 -0.625 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001589262980 957058152 /nfs/dbraw/zinc/05/81/52/957058152.db2.gz COBXXWWAFOEMGP-JTQLQIEISA-N -1 0 317.342 -0.976 20 0 DBADRM C[C@H]1[C@H](C)N(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCN1C ZINC001589263159 957060265 /nfs/dbraw/zinc/06/02/65/957060265.db2.gz YAFTZFZUNPRVFH-UWVGGRQHSA-N -1 0 323.353 -0.543 20 0 DBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594018783 957060658 /nfs/dbraw/zinc/06/06/58/957060658.db2.gz WYOBERIYLUQRTH-WRWGMCAJSA-N -1 0 316.354 -0.031 20 0 DBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594018780 957061318 /nfs/dbraw/zinc/06/13/18/957061318.db2.gz WYOBERIYLUQRTH-USZNOCQGSA-N -1 0 316.354 -0.031 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001594734892 957061633 /nfs/dbraw/zinc/06/16/33/957061633.db2.gz MSNMRLQLURHEMO-LPEHRKFASA-N -1 0 321.337 -0.077 20 0 DBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C1 ZINC001594018929 957063461 /nfs/dbraw/zinc/06/34/61/957063461.db2.gz OQXKQSVTSRCWTQ-LOWDOPEQSA-N -1 0 315.366 -0.030 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CCO1 ZINC001589265437 957075597 /nfs/dbraw/zinc/07/55/97/957075597.db2.gz GOXNSBXNRHHGLO-BBBLOLIVSA-N -1 0 305.352 -0.488 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCc3nnnn3CC2)cn1 ZINC001594736722 957076471 /nfs/dbraw/zinc/07/64/71/957076471.db2.gz JJYUQZYUAQDUMO-SECBINFHSA-N -1 0 302.294 -0.099 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCC(=O)N2CCCCC2)C1 ZINC001594736951 957079793 /nfs/dbraw/zinc/07/97/93/957079793.db2.gz HPIVTTZXLQWHOE-JTQLQIEISA-N -1 0 311.338 -0.952 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000032077538 957171636 /nfs/dbraw/zinc/17/16/36/957171636.db2.gz XVDBPISZAJSIQY-ZDUSSCGKSA-N -1 0 321.381 -0.176 20 0 DBADRM CC(C)(C)C(=O)NCCCC(=O)NCC(=O)NCC(=O)[O-] ZINC000035383713 957206067 /nfs/dbraw/zinc/20/60/67/957206067.db2.gz KLDXRTVROIMXQV-UHFFFAOYSA-N -1 0 301.343 -0.754 20 0 DBADRM CN(CC(=O)NCC(=O)NCC(=O)[O-])C(=O)c1cccs1 ZINC000035383602 957206087 /nfs/dbraw/zinc/20/60/87/957206087.db2.gz MMGRZOKJAXVBFY-UHFFFAOYSA-N -1 0 313.335 -0.863 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(CCO)CC2)o1 ZINC000035609603 957214485 /nfs/dbraw/zinc/21/44/85/957214485.db2.gz SBJFKVHUJQPWDB-UHFFFAOYSA-N -1 0 304.324 -0.724 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC[C@H](CO)C2)cn1 ZINC000036227200 957226875 /nfs/dbraw/zinc/22/68/75/957226875.db2.gz LBMMRFBGICBXCO-VIFPVBQESA-N -1 0 303.340 -0.639 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](C)CO)c(CC(=O)[O-])c1 ZINC000036889171 957243651 /nfs/dbraw/zinc/24/36/51/957243651.db2.gz KRCKHPFOKIHXRM-QMMMGPOBSA-N -1 0 303.336 -0.019 20 0 DBADRM COC(=O)c1ccccc1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000036965665 957247598 /nfs/dbraw/zinc/24/75/98/957247598.db2.gz SCFSTRTYAXHNTL-QMMMGPOBSA-N -1 0 303.292 -0.803 20 0 DBADRM C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485361821 1013153341 /nfs/dbraw/zinc/15/33/41/1013153341.db2.gz NHONPHFUUGCRTB-BDAKNGLRSA-N -1 0 310.358 -0.885 20 0 DBADRM CNC(=O)CNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000037208288 957265919 /nfs/dbraw/zinc/26/59/19/957265919.db2.gz IIPLOOPUYAQONP-UHFFFAOYSA-N -1 0 302.308 -0.826 20 0 DBADRM CN(CC(N)=O)S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000037268710 957268561 /nfs/dbraw/zinc/26/85/61/957268561.db2.gz NSPLBKXGOWHBCC-UHFFFAOYSA-N -1 0 316.335 -0.354 20 0 DBADRM CC(C)n1cnnc1SCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000037449871 957292437 /nfs/dbraw/zinc/29/24/37/957292437.db2.gz BHQFGBQSZAHSES-BDAKNGLRSA-N -1 0 314.367 -0.003 20 0 DBADRM CS(=O)(=O)Cc1ccc(C(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000037451249 957295282 /nfs/dbraw/zinc/29/52/82/957295282.db2.gz UJNGNUVLVOBQMN-SNVBAGLBSA-N -1 0 301.320 -0.594 20 0 DBADRM NC(=O)C1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000037655949 957319413 /nfs/dbraw/zinc/31/94/13/957319413.db2.gz LYCDOJXTJMNADF-UHFFFAOYSA-N -1 0 319.383 -0.775 20 0 DBADRM NC(=O)[C@H]1CCCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037732122 957322957 /nfs/dbraw/zinc/32/29/57/957322957.db2.gz URPUDVBMVWQUPO-SSDOTTSWSA-N -1 0 302.312 -0.864 20 0 DBADRM CC(C)NC(=O)CN(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037833035 957331467 /nfs/dbraw/zinc/33/14/67/957331467.db2.gz NZSZKKJOTVWDDZ-UHFFFAOYSA-N -1 0 304.328 -0.747 20 0 DBADRM NS(=O)(=O)CCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000040579012 957378557 /nfs/dbraw/zinc/37/85/57/957378557.db2.gz WOHDYJFVEXPJFI-UHFFFAOYSA-N -1 0 305.287 -0.066 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000043509730 957433474 /nfs/dbraw/zinc/43/34/74/957433474.db2.gz SLNAFXSCEOTMQI-GFCCVEGCSA-N -1 0 300.336 -0.398 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@@]2(C(=O)[O-])CCSC2)CC1=O ZINC000043509177 957433664 /nfs/dbraw/zinc/43/36/64/957433664.db2.gz IIBXMRKRRPBIJM-RNCFNFMXSA-N -1 0 316.379 -0.442 20 0 DBADRM CN(C(=O)N1CCO[C@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000043706620 957441587 /nfs/dbraw/zinc/44/15/87/957441587.db2.gz AGLFNBHLQYRVBO-IUCAKERBSA-N -1 0 306.340 -0.989 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044694566 957448939 /nfs/dbraw/zinc/44/89/39/957448939.db2.gz LLKZHKHNLVZBMN-ZETCQYMHSA-N -1 0 300.340 -0.377 20 0 DBADRM CN(CCCC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000050351098 957490588 /nfs/dbraw/zinc/49/05/88/957490588.db2.gz QTSUHHOSAWCHME-UHFFFAOYSA-N -1 0 313.397 -0.310 20 0 DBADRM COCC[C@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000052787335 957514343 /nfs/dbraw/zinc/51/43/43/957514343.db2.gz DZKZSCVWZMFQLD-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1)C1CC1 ZINC000054500931 957531269 /nfs/dbraw/zinc/53/12/69/957531269.db2.gz NLGBZKKSIVKBLH-LBPRGKRZSA-N -1 0 312.347 -0.056 20 0 DBADRM CC(=O)N[C@@H](CSCC(=O)NCC(F)(F)F)C(=O)[O-] ZINC000069554886 957652293 /nfs/dbraw/zinc/65/22/93/957652293.db2.gz OFIVKINNEPBUDC-LURJTMIESA-N -1 0 302.274 -0.013 20 0 DBADRM CC(=O)N[C@@H](CSCC(=O)N1CCO[C@H](C)C1)C(=O)[O-] ZINC000069555495 957653401 /nfs/dbraw/zinc/65/34/01/957653401.db2.gz YROSJESUFPJZLE-SCZZXKLOSA-N -1 0 304.368 -0.444 20 0 DBADRM Cc1cccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000070216037 957666300 /nfs/dbraw/zinc/66/63/00/957666300.db2.gz UJJAQWSPMVXVMK-LLVKDONJSA-N -1 0 312.347 -0.041 20 0 DBADRM COCCc1nc(CN2CCO[C@](COC)(C(=O)[O-])C2)no1 ZINC001594022436 957673243 /nfs/dbraw/zinc/67/32/43/957673243.db2.gz DNUYODRDAZCAIY-CYBMUJFWSA-N -1 0 315.326 -0.440 20 0 DBADRM CCCN(CC(=O)OC)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000070446532 957673329 /nfs/dbraw/zinc/67/33/29/957673329.db2.gz FFYNSYMZNRKZBH-UHFFFAOYSA-N -1 0 319.339 -0.010 20 0 DBADRM COCCn1c([C@H](O)COC)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001594022609 957676111 /nfs/dbraw/zinc/67/61/11/957676111.db2.gz LJXHMZYMXUPENS-VHSXEESVSA-N -1 0 314.342 -0.485 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@H]2CCN(c3ccccn3)C2)nn1 ZINC001574738846 957682668 /nfs/dbraw/zinc/68/26/68/957682668.db2.gz YQGKVHRDOOPFHN-JTQLQIEISA-N -1 0 316.321 -0.234 20 0 DBADRM COCCn1c(CO)nnc1N1CC[C@](COC)(C(=O)[O-])C1 ZINC001594024847 957700868 /nfs/dbraw/zinc/70/08/68/957700868.db2.gz YAZVCTPMSBOYAV-ZDUSSCGKSA-N -1 0 314.342 -0.656 20 0 DBADRM COCCn1cc(CN2CCO[C@@](COC)(C(=O)[O-])C2)cn1 ZINC001594024905 957703128 /nfs/dbraw/zinc/70/31/28/957703128.db2.gz AFJHXQBJGHPDIH-AWEZNQCLSA-N -1 0 313.354 -0.169 20 0 DBADRM COC[C@@H](O)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000071271237 957714636 /nfs/dbraw/zinc/71/46/36/957714636.db2.gz ZWYBOLFAQAUDBW-ZETCQYMHSA-N -1 0 307.299 -0.191 20 0 DBADRM COCCn1cc(CNC(=O)c2cc(C(=O)[O-])nn2C)cn1 ZINC001594025560 957715059 /nfs/dbraw/zinc/71/50/59/957715059.db2.gz WAOSFUXATZONRV-UHFFFAOYSA-N -1 0 307.310 -0.109 20 0 DBADRM COCCn1cc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)ccc1=O ZINC001594025574 957715544 /nfs/dbraw/zinc/71/55/44/957715544.db2.gz XCJBSFBSMJATRF-JTQLQIEISA-N -1 0 309.278 -0.337 20 0 DBADRM Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c(C)n1NC(N)=O ZINC001594277602 957724774 /nfs/dbraw/zinc/72/47/74/957724774.db2.gz FBFUIZLMNSPYHY-CYBMUJFWSA-N -1 0 310.310 -0.299 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC001574770983 957759409 /nfs/dbraw/zinc/75/94/09/957759409.db2.gz LLHGRHXRHPGYFI-IJLUTSLNSA-N -1 0 310.350 -0.007 20 0 DBADRM COCc1nn(C)cc1C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001594032422 957771328 /nfs/dbraw/zinc/77/13/28/957771328.db2.gz CQDZDNNYFXQHDA-LLVKDONJSA-N -1 0 307.310 -0.144 20 0 DBADRM COCc1nccc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001594032450 957771718 /nfs/dbraw/zinc/77/17/18/957771718.db2.gz DZCMJJDYTUHKFU-VIFPVBQESA-N -1 0 322.321 -0.115 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1ccccc1 ZINC001574777622 957776163 /nfs/dbraw/zinc/77/61/63/957776163.db2.gz XVSHQEWXMMWXRO-NWDGAFQWSA-N -1 0 301.306 0.000 20 0 DBADRM COCc1nccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC001594033005 957778428 /nfs/dbraw/zinc/77/84/28/957778428.db2.gz MBDIQPXNUOTULU-QMMMGPOBSA-N -1 0 308.294 -0.363 20 0 DBADRM COCc1ncc2c(n1)CCN(C(=O)[C@@](C)(OC)C(=O)[O-])C2 ZINC001594033374 957782146 /nfs/dbraw/zinc/78/21/46/957782146.db2.gz RWLRWZLZBNZTBY-CQSZACIVSA-N -1 0 309.322 -0.003 20 0 DBADRM COCc1ncc2c(n1)CCN(C(=O)[C@](C)(OC)C(=O)[O-])C2 ZINC001594033372 957782309 /nfs/dbraw/zinc/78/23/09/957782309.db2.gz RWLRWZLZBNZTBY-AWEZNQCLSA-N -1 0 309.322 -0.003 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC001334026423 957792917 /nfs/dbraw/zinc/79/29/17/957792917.db2.gz MDRUNSDSLCVLNW-GYSYKLTISA-N -1 0 300.355 -0.751 20 0 DBADRM CN1CCN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H](C(=O)[O-])C1 ZINC001598606578 1017335231 /nfs/dbraw/zinc/33/52/31/1017335231.db2.gz YOQCAMGUBCDXNJ-NXEZZACHSA-N -1 0 304.368 -0.962 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)[nH]n1 ZINC001574788124 957794531 /nfs/dbraw/zinc/79/45/31/957794531.db2.gz NHCUGHHOSGMIKF-QMMMGPOBSA-N -1 0 322.321 -0.789 20 0 DBADRM CON(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)[C@H](C)C(=O)[O-] ZINC001594035623 957810485 /nfs/dbraw/zinc/81/04/85/957810485.db2.gz OCFAOASBGKMIMN-UHLUBPPHSA-N -1 0 313.310 -0.430 20 0 DBADRM CON(C(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C)[C@H](C)C(=O)[O-] ZINC001594037236 957823380 /nfs/dbraw/zinc/82/33/80/957823380.db2.gz NXQICGRFXTVQDN-PSASIEDQSA-N -1 0 322.383 -0.044 20 0 DBADRM CON(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[C@H](C)C(=O)[O-] ZINC001594037257 957826073 /nfs/dbraw/zinc/82/60/73/957826073.db2.gz OEGMSVXECUYLAP-UTUOFQBUSA-N -1 0 316.354 -0.271 20 0 DBADRM CON(C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)[C@H](C)C(=O)[O-] ZINC001594037762 957831098 /nfs/dbraw/zinc/83/10/98/957831098.db2.gz ZVPNNZQMFKONFA-SSDOTTSWSA-N -1 0 323.309 -0.135 20 0 DBADRM NC(=O)c1ncn(CC(=O)NCc2ccc(C(=O)[O-])cc2)n1 ZINC001574804696 957852762 /nfs/dbraw/zinc/85/27/62/957852762.db2.gz PCEYGHVMFBMQEN-UHFFFAOYSA-N -1 0 303.278 -0.608 20 0 DBADRM CON(C)C(=O)CNC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001594041805 957879162 /nfs/dbraw/zinc/87/91/62/957879162.db2.gz CESGBFRGQICLDX-UHFFFAOYSA-N -1 0 313.314 -0.156 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001594042015 957881054 /nfs/dbraw/zinc/88/10/54/957881054.db2.gz JASIFBZZUFDOCV-IVZWLZJFSA-N -1 0 302.327 -0.219 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCC2N=NC(=O)N2C2CC2)cn1 ZINC001574818890 957898613 /nfs/dbraw/zinc/89/86/13/957898613.db2.gz UHAHTJJPISCRJA-UHFFFAOYSA-N -1 0 304.266 -0.263 20 0 DBADRM CON1CCC(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC001594043908 957903591 /nfs/dbraw/zinc/90/35/91/957903591.db2.gz NESJLMSEPCHNFG-JTQLQIEISA-N -1 0 313.354 -0.548 20 0 DBADRM Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)[nH]n1 ZINC001594300909 957908258 /nfs/dbraw/zinc/90/82/58/957908258.db2.gz ZKTZHSZSCLSDOA-SCZZXKLOSA-N -1 0 308.338 -0.302 20 0 DBADRM CN1CC(=O)N(CC(=O)NCc2ccccc2CC(=O)[O-])C1=O ZINC000390843575 972304283 /nfs/dbraw/zinc/30/42/83/972304283.db2.gz CGAPYBCPVUCARI-UHFFFAOYSA-N -1 0 319.317 -0.176 20 0 DBADRM Cc1cc(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)ncn1 ZINC001594303928 957940835 /nfs/dbraw/zinc/94/08/35/957940835.db2.gz FQMQKZUBEOMKMP-NSHDSACASA-N -1 0 306.322 -0.276 20 0 DBADRM O=C([O-])CNC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 ZINC001574896231 957958883 /nfs/dbraw/zinc/95/88/83/957958883.db2.gz LEZVYJWBXHYUHB-SSDOTTSWSA-N -1 0 318.376 -0.212 20 0 DBADRM Cc1cc(CS(=O)(=O)CCS(=O)(=O)CC(=O)[O-])nn1C ZINC001594306849 957976036 /nfs/dbraw/zinc/97/60/36/957976036.db2.gz WZHYDSQROHUWEC-UHFFFAOYSA-N -1 0 324.380 -0.857 20 0 DBADRM COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001594052183 957999527 /nfs/dbraw/zinc/99/95/27/957999527.db2.gz IITIWVQTVDJPEF-JTQLQIEISA-N -1 0 307.262 -0.038 20 0 DBADRM COc1cc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])ccn1 ZINC001594055937 958035878 /nfs/dbraw/zinc/03/58/78/958035878.db2.gz DYSCUASRSFBTET-JTQLQIEISA-N -1 0 300.336 -0.226 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H](C(=O)[O-])c2ccnn2C)no1 ZINC001594313629 958050959 /nfs/dbraw/zinc/05/09/59/958050959.db2.gz PVSWJZZSELCGCM-VIFPVBQESA-N -1 0 307.266 -0.403 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)ccc1C(=O)[O-] ZINC001594313815 958051058 /nfs/dbraw/zinc/05/10/58/958051058.db2.gz SBOZHIILIZKLNU-PHIMTYICSA-N -1 0 308.290 -0.804 20 0 DBADRM COc1cc(C)nc(C[S@@](=O)CC(=O)NCC(=O)[O-])c1 ZINC001594057914 958054357 /nfs/dbraw/zinc/05/43/57/958054357.db2.gz RNNHGFKYPZFXFL-HXUWFJFHSA-N -1 0 300.336 -0.152 20 0 DBADRM CC[C@@H](C)NC(=O)CCNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000088769956 958068032 /nfs/dbraw/zinc/06/80/32/958068032.db2.gz FDIXVEFGLUAYFU-SECBINFHSA-N -1 0 309.388 -0.468 20 0 DBADRM Cc1cc(NC(=O)CN(C)CCS(=O)(=O)CC(=O)[O-])no1 ZINC001594316718 958068955 /nfs/dbraw/zinc/06/89/55/958068955.db2.gz JNOUWIJZOGXBDI-UHFFFAOYSA-N -1 0 319.339 -0.647 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCc1ccc(-n2cncn2)nc1 ZINC001347170950 958074721 /nfs/dbraw/zinc/07/47/21/958074721.db2.gz MUBFBDLHTKTZMI-ZDUSSCGKSA-N -1 0 305.294 -0.232 20 0 DBADRM Cc1cc(CS(=O)(=O)NCCn2cc(C(=O)[O-])nn2)no1 ZINC000089696303 958079695 /nfs/dbraw/zinc/07/96/95/958079695.db2.gz RWYMAICSKFJXRP-UHFFFAOYSA-N -1 0 315.311 -0.608 20 0 DBADRM Cc1noc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001349354855 958088492 /nfs/dbraw/zinc/08/84/92/958088492.db2.gz JRIFZXJQKIDVAJ-CNUIFLNQSA-N -1 0 310.310 -0.075 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCC(=O)NC1=O ZINC000089754837 958088828 /nfs/dbraw/zinc/08/88/28/958088828.db2.gz BJBIEJUGOUVAFK-LURJTMIESA-N -1 0 316.291 -0.630 20 0 DBADRM COc1cc(N)c(F)cc1C(=O)OCC(=O)NCC(=O)[O-] ZINC001594061615 958094559 /nfs/dbraw/zinc/09/45/59/958094559.db2.gz BZKKTJZQXYGTRV-UHFFFAOYSA-N -1 0 300.242 -0.226 20 0 DBADRM COc1cc(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)ncn1 ZINC001594062339 958100680 /nfs/dbraw/zinc/10/06/80/958100680.db2.gz UEQXTEGYXLYDLO-RKDXNWHRSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cnc1OC ZINC001594062436 958102079 /nfs/dbraw/zinc/10/20/79/958102079.db2.gz ZTQLYLJRJWCSFN-ZETCQYMHSA-N -1 0 311.294 -0.126 20 0 DBADRM C[C@H](CCO)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001350313119 958104522 /nfs/dbraw/zinc/10/45/22/958104522.db2.gz LBWPZSOZHRSZII-MRVPVSSYSA-N -1 0 312.326 -0.472 20 0 DBADRM CC(C)C(=O)N1CCC(C(=O)NC[C@@](C)(O)C(=O)[O-])CC1 ZINC000090276549 958109003 /nfs/dbraw/zinc/10/90/03/958109003.db2.gz DCOWUKYVQFKWHA-CQSZACIVSA-N -1 0 300.355 -0.167 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)C1(C(=O)[O-])CC=CC1 ZINC001350612927 958109553 /nfs/dbraw/zinc/10/95/53/958109553.db2.gz VMGFKIGASBQURO-GFCCVEGCSA-N -1 0 312.366 -0.441 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)C1(C(=O)[O-])CC=CC1 ZINC001350612928 958110388 /nfs/dbraw/zinc/11/03/88/958110388.db2.gz VMGFKIGASBQURO-LBPRGKRZSA-N -1 0 312.366 -0.441 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114603 958158142 /nfs/dbraw/zinc/15/81/42/958158142.db2.gz JKPOOKSBYIKXLN-ZCFIWIBFSA-N -1 0 304.299 -0.063 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC001353923647 958164682 /nfs/dbraw/zinc/16/46/82/958164682.db2.gz ZWXFBLZTWGYRCS-RYUDHWBXSA-N -1 0 302.371 -0.505 20 0 DBADRM CCOCCS(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000092697354 958173136 /nfs/dbraw/zinc/17/31/36/958173136.db2.gz IOBACWCDWKCWEO-UHFFFAOYSA-N -1 0 304.328 -0.801 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001594326751 958180452 /nfs/dbraw/zinc/18/04/52/958180452.db2.gz JBYMOPDISVFITL-NSHDSACASA-N -1 0 310.306 -0.436 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000092916073 958180851 /nfs/dbraw/zinc/18/08/51/958180851.db2.gz TUCQVQAGPDDROS-BBBLOLIVSA-N -1 0 304.368 -0.268 20 0 DBADRM CC(C)(CS(C)(=O)=O)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000391458202 972338358 /nfs/dbraw/zinc/33/83/58/972338358.db2.gz GHGGRKTUNCRBII-UHFFFAOYSA-N -1 0 324.380 -0.186 20 0 DBADRM CNC(=O)[C@]1(C)CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC000391469586 972339892 /nfs/dbraw/zinc/33/98/92/972339892.db2.gz SFIVGOUQGJVNBK-CYBMUJFWSA-N -1 0 324.341 -0.856 20 0 DBADRM Cc1ccc(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cn1 ZINC001594353262 958380062 /nfs/dbraw/zinc/38/00/62/958380062.db2.gz ASVDEROFXGPARS-LLVKDONJSA-N -1 0 312.347 -0.357 20 0 DBADRM CN1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1(C)C ZINC000110719468 958393503 /nfs/dbraw/zinc/39/35/03/958393503.db2.gz WDSPPXVYNGCEBY-UHFFFAOYSA-N -1 0 316.383 -0.318 20 0 DBADRM Cc1ccc(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC001594357573 958422643 /nfs/dbraw/zinc/42/26/43/958422643.db2.gz RWMAPDARFXDTHU-GFCCVEGCSA-N -1 0 321.333 -0.639 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C[C@H](O)C(F)(F)F ZINC000124785592 958544411 /nfs/dbraw/zinc/54/44/11/958544411.db2.gz KCADNGRIPKESRA-BQBZGAKWSA-N -1 0 305.274 -0.517 20 0 DBADRM Cc1nnsc1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000125971302 958575480 /nfs/dbraw/zinc/57/54/80/958575480.db2.gz MSDUBEPHUHFWRO-ZETCQYMHSA-N -1 0 319.364 -0.440 20 0 DBADRM CC1(C)[C@H](O)C[C@@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000128040343 958629276 /nfs/dbraw/zinc/62/92/76/958629276.db2.gz GJSBBUOEDNTOLD-VHSXEESVSA-N -1 0 306.384 -0.223 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000129383254 958701700 /nfs/dbraw/zinc/70/17/00/958701700.db2.gz VBYKKPIPWPGOJY-UWVGGRQHSA-N -1 0 305.352 -0.487 20 0 DBADRM CC(C)CNC(=O)NC(=O)CN1CCOC[C@H]1CC(=O)[O-] ZINC000129954344 958723282 /nfs/dbraw/zinc/72/32/82/958723282.db2.gz AYMXRZLRHHAZHJ-SNVBAGLBSA-N -1 0 301.343 -0.356 20 0 DBADRM O=C([O-])C1(NC(=O)N2CCS(=O)(=O)CC2)CCOCC1 ZINC000131928605 958757333 /nfs/dbraw/zinc/75/73/33/958757333.db2.gz JFAZARJFJMULNN-UHFFFAOYSA-N -1 0 306.340 -0.940 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCCC2(C1)OCCO2 ZINC000133734647 958820190 /nfs/dbraw/zinc/82/01/90/958820190.db2.gz ZDBGDIQRALEBGA-UHFFFAOYSA-N -1 0 308.356 -0.523 20 0 DBADRM CC(=O)N[C@@H]1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC000133939483 958828130 /nfs/dbraw/zinc/82/81/30/958828130.db2.gz ZDBKOGBLQMQCNF-MRVPVSSYSA-N -1 0 316.339 -0.685 20 0 DBADRM C[C@@H](NS(=O)(=O)c1scnc1C(=O)[O-])C(=O)N(C)C ZINC000134677918 958847890 /nfs/dbraw/zinc/84/78/90/958847890.db2.gz OJUWWSHYHAGULN-RXMQYKEDSA-N -1 0 307.353 -0.404 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CCCNC(=O)C1 ZINC000134718453 958856815 /nfs/dbraw/zinc/85/68/15/958856815.db2.gz GTKXKKSDMINQPW-UHFFFAOYSA-N -1 0 305.337 -0.648 20 0 DBADRM C[C@H]1C(=O)NCCN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134709530 958857278 /nfs/dbraw/zinc/85/72/78/958857278.db2.gz QXDFFOWSYOMXOP-YFKPBYRVSA-N -1 0 305.337 -0.650 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccccc1C(=O)OC)C(=O)[O-] ZINC000158590533 959096399 /nfs/dbraw/zinc/09/63/99/959096399.db2.gz FYGWAYBLODOAAU-VIFPVBQESA-N -1 0 317.319 -0.149 20 0 DBADRM C[C@@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)c1ncn(C)n1 ZINC000392107784 972408778 /nfs/dbraw/zinc/40/87/78/972408778.db2.gz RWRGVKLWZAWWGM-SSDOTTSWSA-N -1 0 308.302 -0.835 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000167922073 959364669 /nfs/dbraw/zinc/36/46/69/959364669.db2.gz IRWZOZHZMDNHRV-JGVFFNPUSA-N -1 0 307.324 -0.914 20 0 DBADRM O=C([O-])[C@@H]1CSCCN1C(=O)[C@H]1CCCCS1(=O)=O ZINC000167999081 959370850 /nfs/dbraw/zinc/37/08/50/959370850.db2.gz NUMZAOXXJFYESZ-DTWKUNHWSA-N -1 0 307.393 -0.018 20 0 DBADRM C[C@H](C[S@](C)=O)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000168759403 959388674 /nfs/dbraw/zinc/38/86/74/959388674.db2.gz RTLJXWFECACTDB-LWESTGQBSA-N -1 0 309.369 -0.987 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCN2CC=CC2)cn1 ZINC000392252702 972432956 /nfs/dbraw/zinc/43/29/56/972432956.db2.gz XMHUIZQWZGQXGJ-UHFFFAOYSA-N -1 0 300.340 -0.882 20 0 DBADRM C[C@@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)c1ncn(C)n1 ZINC001573616397 959495074 /nfs/dbraw/zinc/49/50/74/959495074.db2.gz LYLDYSUIBBRFIW-ZDMBXUJBSA-N -1 0 309.326 -0.381 20 0 DBADRM C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000206637172 959661054 /nfs/dbraw/zinc/66/10/54/959661054.db2.gz PILYFEHEZGWKMY-DJLDLDEBSA-N -1 0 302.327 -0.054 20 0 DBADRM C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000206969614 959662783 /nfs/dbraw/zinc/66/27/83/959662783.db2.gz PILYFEHEZGWKMY-YIZRAAEISA-N -1 0 302.327 -0.054 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@]2(O)CCOC2)cc1 ZINC000227114849 959921489 /nfs/dbraw/zinc/92/14/89/959921489.db2.gz LPEBHIVLXVPQMM-LBPRGKRZSA-N -1 0 301.320 -0.186 20 0 DBADRM O=C([O-])c1csc(S(=O)(=O)NC[C@]2(O)CCOC2)c1 ZINC000227114955 959921538 /nfs/dbraw/zinc/92/15/38/959921538.db2.gz UDQIXMGMZNTZGE-SNVBAGLBSA-N -1 0 307.349 -0.124 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2C[C@H](CO)OC[C@H]2C)c1C(=O)[O-] ZINC000227361998 959944620 /nfs/dbraw/zinc/94/46/20/959944620.db2.gz CXAXYDOWNFQNMN-HTRCEHHLSA-N -1 0 319.339 -0.813 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc(CO)cc1 ZINC000227454088 959949599 /nfs/dbraw/zinc/94/95/99/959949599.db2.gz XXDWDWHGHOTSPP-UHFFFAOYSA-N -1 0 302.352 -0.080 20 0 DBADRM CO[C@@H](C)CCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000228496504 960016750 /nfs/dbraw/zinc/01/67/50/960016750.db2.gz KNPOXMOHVNBLEH-UWVGGRQHSA-N -1 0 307.368 -0.098 20 0 DBADRM CO[C@H](C)CCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000228496520 960017285 /nfs/dbraw/zinc/01/72/85/960017285.db2.gz KNPOXMOHVNBLEH-NXEZZACHSA-N -1 0 307.368 -0.098 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCC(F)(F)CO)CC1 ZINC000228563553 960026032 /nfs/dbraw/zinc/02/60/32/960026032.db2.gz NWZJXOIPJCHXBH-UHFFFAOYSA-N -1 0 302.299 -0.755 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NCC(=O)N1CCCC1 ZINC000228792075 960041799 /nfs/dbraw/zinc/04/17/99/960041799.db2.gz CVNITBFSMBBPAJ-UHFFFAOYSA-N -1 0 319.364 -0.258 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H]2CNC(=O)C2)cc1C(=O)[O-] ZINC000229019213 960051590 /nfs/dbraw/zinc/05/15/90/960051590.db2.gz ONHOJKGXSMUAOE-ZETCQYMHSA-N -1 0 314.319 -0.440 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CNC(=O)C2)ccc1F ZINC000229021349 960052585 /nfs/dbraw/zinc/05/25/85/960052585.db2.gz JVDAGFYPKOEBGE-ZCFIWIBFSA-N -1 0 302.283 -0.309 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CNC(=O)C1 ZINC000229021149 960052952 /nfs/dbraw/zinc/05/29/52/960052952.db2.gz YDQRROYPXPTDEA-QMMMGPOBSA-N -1 0 314.319 -0.440 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000229031510 960054749 /nfs/dbraw/zinc/05/47/49/960054749.db2.gz OUJWHVARIVCSBD-VIFPVBQESA-N -1 0 303.336 -0.021 20 0 DBADRM Cc1nnc([C@@H](C)NS(=O)(=O)c2cnn(CC(=O)[O-])c2)[nH]1 ZINC000392407605 972481859 /nfs/dbraw/zinc/48/18/59/972481859.db2.gz BIOLDULPPNQPEJ-ZCFIWIBFSA-N -1 0 314.327 -0.566 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000231017822 960176731 /nfs/dbraw/zinc/17/67/31/960176731.db2.gz YOOOACNWWXKONG-NSHDSACASA-N -1 0 307.372 -0.568 20 0 DBADRM CNS(=O)(=O)CCNC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000231018934 960178056 /nfs/dbraw/zinc/17/80/56/960178056.db2.gz QYJXPEBAIYLVDE-UHFFFAOYSA-N -1 0 302.312 -0.550 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000231022772 960178348 /nfs/dbraw/zinc/17/83/48/960178348.db2.gz ZKIXKWILROGBSB-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000231840804 960210449 /nfs/dbraw/zinc/21/04/49/960210449.db2.gz WWEIWJCWXKMHKZ-QMMMGPOBSA-N -1 0 318.355 -0.887 20 0 DBADRM CCCCNC(=O)[C@@H](C)[S@](=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000232971414 960306215 /nfs/dbraw/zinc/30/62/15/960306215.db2.gz MGQIOOJFVZXECA-CBBHYXBPSA-N -1 0 306.384 -0.371 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-] ZINC000234519121 960354691 /nfs/dbraw/zinc/35/46/91/960354691.db2.gz NJICTUKSAFPNKM-ZETCQYMHSA-N -1 0 313.291 -0.752 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@](C)(C(N)=O)C2)cc1C(=O)[O-] ZINC000236085737 960548342 /nfs/dbraw/zinc/54/83/42/960548342.db2.gz GLZULDYEWUPRAI-LBPRGKRZSA-N -1 0 315.351 -0.391 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCc2cccnn2)CC1 ZINC000236415124 960563712 /nfs/dbraw/zinc/56/37/12/960563712.db2.gz IGALPROOYNFEJX-UHFFFAOYSA-N -1 0 300.340 -0.392 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@@H](C)CC(=O)[O-] ZINC001571074394 960935925 /nfs/dbraw/zinc/93/59/25/960935925.db2.gz JDPVCKJTFDBIQG-ZETCQYMHSA-N -1 0 301.324 -0.218 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC001571086081 961065557 /nfs/dbraw/zinc/06/55/57/961065557.db2.gz WJSRNLKLUMXUAX-VIFPVBQESA-N -1 0 304.310 -0.128 20 0 DBADRM C[C@@H]1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)[C@H](C(=O)[O-])C1 ZINC000253149324 961311240 /nfs/dbraw/zinc/31/12/40/961311240.db2.gz CGGZVIKENWYJFH-VWYCJHECSA-N -1 0 318.395 -0.525 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCCO2)C(=O)[O-] ZINC001571119805 961436064 /nfs/dbraw/zinc/43/60/64/961436064.db2.gz MUQUJQWXIHSUSG-SSDOTTSWSA-N -1 0 314.319 -0.440 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000262106414 961464398 /nfs/dbraw/zinc/46/43/98/961464398.db2.gz HHNOAQDZRNAEIH-SNVBAGLBSA-N -1 0 310.397 -0.656 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000262126127 961482800 /nfs/dbraw/zinc/48/28/00/961482800.db2.gz NOZRDPMJAHUGET-KXUCPTDWSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@@H](C(=O)[O-])O1 ZINC000262137246 961490944 /nfs/dbraw/zinc/49/09/44/961490944.db2.gz JFUUHNZCEHOOSI-SKDRFNHKSA-N -1 0 317.305 -0.024 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262235347 961577749 /nfs/dbraw/zinc/57/77/49/961577749.db2.gz VTXDOPNZBBBABJ-TUAOUCFPSA-N -1 0 310.350 -0.053 20 0 DBADRM CCOC(=O)C1([C@H](C)NC(=O)COCC(=O)[O-])CCOCC1 ZINC001571133149 961582930 /nfs/dbraw/zinc/58/29/30/961582930.db2.gz KXTCNMOTFARIMD-JTQLQIEISA-N -1 0 317.338 -0.048 20 0 DBADRM Cn1nccc1[C@@H](NCc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001574472101 961603593 /nfs/dbraw/zinc/60/35/93/961603593.db2.gz JBFZLMSBZZDIDR-GFCCVEGCSA-N -1 0 324.362 -0.017 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@]1(F)CCS(=O)(=O)C1)C(=O)[O-] ZINC001574472306 961605992 /nfs/dbraw/zinc/60/59/92/961605992.db2.gz MEUUEMLBWGBBGV-KWQFWETISA-N -1 0 319.314 -0.811 20 0 DBADRM Cn1nccc1NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001574475294 961644828 /nfs/dbraw/zinc/64/48/28/961644828.db2.gz ZSXWQOZKXRYBIL-UHFFFAOYSA-N -1 0 301.324 -0.362 20 0 DBADRM CN1C(=O)C[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])[C@H]1c1cccnc1 ZINC000262355730 961666484 /nfs/dbraw/zinc/66/64/84/961666484.db2.gz FVXARYQRABRSFA-JVLSTEMRSA-N -1 0 321.333 -0.447 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2CCC(CC(=O)[O-])CC2)c1=O ZINC000262374119 961678520 /nfs/dbraw/zinc/67/85/20/961678520.db2.gz XUVVVABBYXDFLZ-UHFFFAOYSA-N -1 0 309.322 -0.740 20 0 DBADRM O=C([O-])CC1(NC(=O)C2CCS(=O)(=O)CC2)CCOCC1 ZINC001571144728 961712782 /nfs/dbraw/zinc/71/27/82/961712782.db2.gz VVZDUWFZUMDJSJ-UHFFFAOYSA-N -1 0 319.379 -0.049 20 0 DBADRM NC(=O)[C@H](C1CC1)N(CC1CC1)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001574494113 961724666 /nfs/dbraw/zinc/72/46/66/961724666.db2.gz XONLGYFAMICPLX-LBPRGKRZSA-N -1 0 321.337 -0.521 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](C(=O)[O-])C1 ZINC000262475255 961740475 /nfs/dbraw/zinc/74/04/75/961740475.db2.gz JONRMZWUULRXRG-NXEZZACHSA-N -1 0 309.322 -0.741 20 0 DBADRM COCCn1cc(N2C[C@H](C(=O)N[C@H](C)C(=O)[O-])CC2=O)cn1 ZINC001571163651 961955738 /nfs/dbraw/zinc/95/57/38/961955738.db2.gz PWDVPZZKZGYGRU-NXEZZACHSA-N -1 0 324.337 -0.528 20 0 DBADRM CN1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C(C)(C)C1 ZINC001598621593 1017353676 /nfs/dbraw/zinc/35/36/76/1017353676.db2.gz SGFJQEOLFWQXIB-UHFFFAOYSA-N -1 0 302.356 -0.177 20 0 DBADRM CO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001354244189 962729125 /nfs/dbraw/zinc/72/91/25/962729125.db2.gz VDGIVNWONUYREZ-SDDRHHMPSA-N -1 0 310.350 -0.197 20 0 DBADRM CN1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1=O ZINC001598627846 1017359216 /nfs/dbraw/zinc/35/92/16/1017359216.db2.gz GKPAETDWJPLQCT-UHFFFAOYSA-N -1 0 305.290 -0.490 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001598632718 1017361110 /nfs/dbraw/zinc/36/11/10/1017361110.db2.gz JCTCCGBOKLTOEU-NXEZZACHSA-N -1 0 307.354 -0.172 20 0 DBADRM CC(=O)NCCN(C)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000308120031 963259148 /nfs/dbraw/zinc/25/91/48/963259148.db2.gz FEJMBFKGRGPJDA-UHFFFAOYSA-N -1 0 301.343 -0.355 20 0 DBADRM CC(=O)NCCN(C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000308172793 963264359 /nfs/dbraw/zinc/26/43/59/963264359.db2.gz XHEVBZZUVJMLGH-UHFFFAOYSA-N -1 0 304.328 -0.827 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000311769208 963509957 /nfs/dbraw/zinc/50/99/57/963509957.db2.gz VSSHVLJJEBPAGN-SSDOTTSWSA-N -1 0 309.365 -0.190 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)CCOCCO)c1C(=O)[O-] ZINC000312255522 963549095 /nfs/dbraw/zinc/54/90/95/963549095.db2.gz LEAJPNAZWRGWMU-UHFFFAOYSA-N -1 0 307.328 -0.954 20 0 DBADRM CC(C)(CNC(=O)c1c[nH]c(C(=O)[O-])c1)NS(C)(=O)=O ZINC000312540666 963573070 /nfs/dbraw/zinc/57/30/70/963573070.db2.gz QTVHQDHEKOIFOM-UHFFFAOYSA-N -1 0 303.340 -0.230 20 0 DBADRM CC1(C)COC[C@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000313000904 963611614 /nfs/dbraw/zinc/61/16/14/963611614.db2.gz AXOWWFOSMNABTP-SECBINFHSA-N -1 0 303.340 -0.329 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC2COCCOC2)CC1 ZINC000313224351 963627541 /nfs/dbraw/zinc/62/75/41/963627541.db2.gz RNQMFAJOXZVTMV-UHFFFAOYSA-N -1 0 308.356 -0.967 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-] ZINC000313560867 963666451 /nfs/dbraw/zinc/66/64/51/963666451.db2.gz HMDPHQIKTWKOFI-GFCCVEGCSA-N -1 0 301.320 -0.265 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000313900055 963690381 /nfs/dbraw/zinc/69/03/81/963690381.db2.gz GMDHBQBGIONMGY-UHFFFAOYSA-N -1 0 321.399 -0.324 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1cnn(-c2ccccc2)n1 ZINC000314033599 963701849 /nfs/dbraw/zinc/70/18/49/963701849.db2.gz ANINKCVBWWBPAF-ZYHUDNBSSA-N -1 0 302.290 -0.073 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000314098889 963710514 /nfs/dbraw/zinc/71/05/14/963710514.db2.gz BKAQIAPPNQUTFN-QMMMGPOBSA-N -1 0 321.326 -0.112 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000314259905 963733080 /nfs/dbraw/zinc/73/30/80/963733080.db2.gz SESLRZXDWDIULE-SCZZXKLOSA-N -1 0 306.274 -0.323 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(CC(=O)[O-])CC1 ZINC000314384461 963747475 /nfs/dbraw/zinc/74/74/75/963747475.db2.gz BKVVTIYQMAFGBJ-JTQLQIEISA-N -1 0 309.322 -0.373 20 0 DBADRM CCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000314466522 963756427 /nfs/dbraw/zinc/75/64/27/963756427.db2.gz NDUYJEZELOFLBQ-QMMMGPOBSA-N -1 0 315.351 -0.027 20 0 DBADRM CCN(CCOCCO)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000314556825 963769068 /nfs/dbraw/zinc/76/90/68/963769068.db2.gz SQGKBZQFKDYWJK-UHFFFAOYSA-N -1 0 324.399 -0.641 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)Cc2nncn2C)c1C(=O)[O-] ZINC000314980569 963837739 /nfs/dbraw/zinc/83/77/39/963837739.db2.gz RRDWOHUIKAUTCS-UHFFFAOYSA-N -1 0 314.327 -0.634 20 0 DBADRM CCNC(=O)NCCNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000315026973 963846914 /nfs/dbraw/zinc/84/69/14/963846914.db2.gz GHARXKBNWOFBEQ-UHFFFAOYSA-N -1 0 315.351 -0.018 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCN(C(=O)NCCOCC(=O)[O-])C1 ZINC000315149705 963861017 /nfs/dbraw/zinc/86/10/17/963861017.db2.gz XCDXYAQYQLINDT-JTQLQIEISA-N -1 0 322.383 -0.446 20 0 DBADRM N#Cc1ccccc1S(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000315356811 963889227 /nfs/dbraw/zinc/88/92/27/963889227.db2.gz IBTADTQDFMELET-JTQLQIEISA-N -1 0 323.330 -0.478 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC000315399949 963895454 /nfs/dbraw/zinc/89/54/54/963895454.db2.gz LUWNDZFZFQQLMS-GHMZBOCLSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN(CCOCCO)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315718349 963929029 /nfs/dbraw/zinc/92/90/29/963929029.db2.gz ZTYHZFUGAQLOOW-UHFFFAOYSA-N -1 0 308.312 -0.608 20 0 DBADRM CC(=O)N[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000315896863 963948700 /nfs/dbraw/zinc/94/87/00/963948700.db2.gz CKVBJBGUDKKMHP-ZETCQYMHSA-N -1 0 303.296 -0.728 20 0 DBADRM Cn1ncc2c1ncnc2N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000316006132 963964149 /nfs/dbraw/zinc/96/41/49/963964149.db2.gz ALECLKFJIMEDAU-UHFFFAOYSA-N -1 0 300.282 -0.286 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1cc(=O)n2ccsc2n1 ZINC000316220335 963991689 /nfs/dbraw/zinc/99/16/89/963991689.db2.gz WNOHPCPUZIIRFP-SECBINFHSA-N -1 0 322.346 -0.469 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1Cc1cc(=O)n2ccsc2n1 ZINC000316220338 963992335 /nfs/dbraw/zinc/99/23/35/963992335.db2.gz WNOHPCPUZIIRFP-VIFPVBQESA-N -1 0 322.346 -0.469 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)N2C[C@H](CO)[C@H](O)C2)c1 ZINC000316265226 963996051 /nfs/dbraw/zinc/99/60/51/963996051.db2.gz QMHVSXWREYDAIJ-BXKDBHETSA-N -1 0 310.306 -0.033 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)N2C[C@@H](O)[C@H](CO)C2)c1 ZINC000316265230 963996278 /nfs/dbraw/zinc/99/62/78/963996278.db2.gz QMHVSXWREYDAIJ-JOYOIKCWSA-N -1 0 310.306 -0.033 20 0 DBADRM O=C([O-])c1ccc(F)cc1S(=O)(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000316496327 964018141 /nfs/dbraw/zinc/01/81/41/964018141.db2.gz YTDPRIFEJDQSMT-OIBJUYFYSA-N -1 0 319.310 -0.502 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)NCc2ccc(C(=O)[O-])o2)C1=O ZINC000316792046 964056109 /nfs/dbraw/zinc/05/61/09/964056109.db2.gz REFFBUWIHWMQSG-MRVPVSSYSA-N -1 0 309.278 -0.076 20 0 DBADRM CC(C)CNC(=O)CNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000316889219 964067613 /nfs/dbraw/zinc/06/76/13/964067613.db2.gz NAQGHRMBNGNAEX-UHFFFAOYSA-N -1 0 315.370 -0.061 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cccc(C(N)=O)c1)C(=O)[O-] ZINC000316910467 964073076 /nfs/dbraw/zinc/07/30/76/964073076.db2.gz AYXFIKSSYYBHIR-SNVBAGLBSA-N -1 0 308.290 -0.078 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)nn1 ZINC000316990151 964084569 /nfs/dbraw/zinc/08/45/69/964084569.db2.gz MSYYQCOPFFBCQR-DTWKUNHWSA-N -1 0 307.310 -0.897 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001598642355 1017366610 /nfs/dbraw/zinc/36/66/10/1017366610.db2.gz JBVGCYXLJKUPLZ-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)N[C@@H](C)c2ncccn2)c1[O-] ZINC001485986447 1013502940 /nfs/dbraw/zinc/50/29/40/1013502940.db2.gz CNFKKPLYMFEOJV-UWVGGRQHSA-N -1 0 320.353 -0.345 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2c(C)noc2C)c1[O-] ZINC001485987667 1013508698 /nfs/dbraw/zinc/50/86/98/1013508698.db2.gz ROQCEWXEBHOTCX-JTQLQIEISA-N -1 0 323.353 -0.091 20 0 DBADRM C[C@H](C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1cccnc1 ZINC001486052407 1013630767 /nfs/dbraw/zinc/63/07/67/1013630767.db2.gz GUTMUVGMMFBNSC-GXSJLCMTSA-N -1 0 320.353 -0.724 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H](COC)C(=O)[O-])o1 ZINC001598674377 1017384254 /nfs/dbraw/zinc/38/42/54/1017384254.db2.gz FTPRYYDWEYDIIR-ZCFIWIBFSA-N -1 0 306.296 -0.983 20 0 DBADRM COC(=O)[C@]1(CNS(=O)(=O)C[C@H](C)C(=O)[O-])CCOC1 ZINC001598727323 1017400882 /nfs/dbraw/zinc/40/08/82/1017400882.db2.gz QTODPQHKSRORDQ-KWQFWETISA-N -1 0 309.340 -0.794 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])C1 ZINC001599753612 1017622012 /nfs/dbraw/zinc/62/20/12/1017622012.db2.gz AEKAXGSZFCZSFD-ZCFIWIBFSA-N -1 0 318.273 -0.600 20 0 DBADRM CS(=O)(=O)c1nnc(CN2CCO[C@@H](CC(=O)[O-])C2)s1 ZINC001599775664 1017630885 /nfs/dbraw/zinc/63/08/85/1017630885.db2.gz PGTGMQRWZSGHTI-ZETCQYMHSA-N -1 0 321.380 -0.383 20 0 DBADRM NS(=O)(=O)C[C@H]1CC[C@@H](NC(=O)CCSCC(=O)[O-])C1 ZINC001601194224 1017823694 /nfs/dbraw/zinc/82/36/94/1017823694.db2.gz XJBGGTSPLGPDQA-DTWKUNHWSA-N -1 0 324.424 -0.232 20 0 DBADRM O=C([O-])C1(NC(=O)C[C@H]2C=CS(=O)(=O)C2)CCOCC1 ZINC001601248382 1017830063 /nfs/dbraw/zinc/83/00/63/1017830063.db2.gz LKWPYPVPVFPDRU-SECBINFHSA-N -1 0 303.336 -0.315 20 0 DBADRM O=C([O-])[C@H](CNS(=O)(=O)C[C@H]1CCCO1)[C@H]1CCOC1 ZINC001601652918 1017864753 /nfs/dbraw/zinc/86/47/53/1017864753.db2.gz GRWARRQVKIYUGC-HBNTYKKESA-N -1 0 307.368 -0.178 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)Cc1noc(C2CC2)n1 ZINC001601912500 1017892152 /nfs/dbraw/zinc/89/21/52/1017892152.db2.gz HLYMLRRKAKEXHT-ZETCQYMHSA-N -1 0 305.312 -0.798 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)OCc1nnnn1CC(F)(F)F ZINC001604473354 1018385752 /nfs/dbraw/zinc/38/57/52/1018385752.db2.gz VIOOKZMDJHAWRF-QMMMGPOBSA-N -1 0 312.204 -0.232 20 0 DBADRM CCS(=O)(=O)NCC(=O)N(CCC(F)(F)F)CC(=O)[O-] ZINC001605728077 1018653965 /nfs/dbraw/zinc/65/39/65/1018653965.db2.gz VMVWLRVBHOZGCD-UHFFFAOYSA-N -1 0 320.289 -0.209 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC[C@@H]1O ZINC000166126767 967670962 /nfs/dbraw/zinc/67/09/62/967670962.db2.gz XSVZTEGXJLNPOK-ONGXEEELSA-N -1 0 306.384 -0.270 20 0 DBADRM CCN(C)C(=O)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000217887878 967691042 /nfs/dbraw/zinc/69/10/42/967691042.db2.gz QRJNWVGLINKMLE-UHFFFAOYSA-N -1 0 307.372 -0.904 20 0 DBADRM C[C@@H]1CCCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@H]1C(=O)[O-] ZINC000235299623 967763158 /nfs/dbraw/zinc/76/31/58/967763158.db2.gz IBRHWAVVRJQDOJ-FOGDFJRCSA-N -1 0 318.395 -0.525 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263174013 967858687 /nfs/dbraw/zinc/85/86/87/967858687.db2.gz JQTXHKZSVJAJGH-UWVGGRQHSA-N -1 0 306.384 -0.020 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CNCC(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001606417698 1018829203 /nfs/dbraw/zinc/82/92/03/1018829203.db2.gz ITLXAUMLKDHBJV-BQBZGAKWSA-N -1 0 312.244 -0.530 20 0 DBADRM N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000396685420 968228219 /nfs/dbraw/zinc/22/82/19/968228219.db2.gz YRQOMDSNWTVRLT-UHFFFAOYSA-N -1 0 323.330 -0.524 20 0 DBADRM CC(C)(CS(=O)(=O)NCCCN1C(=O)CCC1=O)C(=O)[O-] ZINC001609678280 1019546443 /nfs/dbraw/zinc/54/64/43/1019546443.db2.gz ZIMMSIOPVUZEQV-UHFFFAOYSA-N -1 0 320.367 -0.444 20 0 DBADRM CC(C)(O)C1CN(C(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC001609789368 1019563667 /nfs/dbraw/zinc/56/36/67/1019563667.db2.gz LZUUZIZKLDGFSZ-UHFFFAOYSA-N -1 0 300.355 -0.023 20 0 DBADRM CCN(C)C(=O)Cn1nnnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001596182701 1017115992 /nfs/dbraw/zinc/11/59/92/1017115992.db2.gz LJVHEMIPVOQOQZ-NXEZZACHSA-N -1 0 310.358 -0.302 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001588725321 1021127473 /nfs/dbraw/zinc/12/74/73/1021127473.db2.gz LINHEJDEMUHZFI-IWSPIJDZSA-N -1 0 302.327 -0.149 20 0 DBADRM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001590092484 1021379457 /nfs/dbraw/zinc/37/94/57/1021379457.db2.gz PMBSBTZNWQTHKQ-YUMQZZPRSA-N -1 0 320.367 -0.142 20 0 DBADRM CC[C@@H](C)C(=O)N(C)[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001486947427 1013906878 /nfs/dbraw/zinc/90/68/78/1013906878.db2.gz CHHZVPXFKPASMI-BDAKNGLRSA-N -1 0 313.358 -0.302 20 0 DBADRM C[C@]1(C2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2)NC(=O)NC1=O ZINC001589240614 969931561 /nfs/dbraw/zinc/93/15/61/969931561.db2.gz XPVDPSIHQYLOQU-IQMDTDKHSA-N -1 0 323.349 -0.066 20 0 DBADRM C[C@]1(C2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)NC(=O)NC1=O ZINC001589240613 969931670 /nfs/dbraw/zinc/93/16/70/969931670.db2.gz XPVDPSIHQYLOQU-FEUHOPSXSA-N -1 0 323.349 -0.066 20 0 DBADRM CCN(CC(=O)[O-])CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC001596222310 1017119416 /nfs/dbraw/zinc/11/94/16/1017119416.db2.gz LWLZXMPTCMLZHU-UHFFFAOYSA-N -1 0 315.351 -0.321 20 0 DBADRM CCN(CC(=O)N(C)C)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001596200286 1017120088 /nfs/dbraw/zinc/12/00/88/1017120088.db2.gz RXTDYYCOVKADRN-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2cn(C3CCOCC3)nn2)CCOC1 ZINC001594723594 970251183 /nfs/dbraw/zinc/25/11/83/970251183.db2.gz HLGTXZLIIZQEPT-ZDUSSCGKSA-N -1 0 310.310 -0.397 20 0 DBADRM O=C([O-])CC1CCN(C(=O)NCC(=O)N2CCOCC2)CC1 ZINC000317114667 970328879 /nfs/dbraw/zinc/32/88/79/970328879.db2.gz ZGBHHXQPTBJVGY-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM Cc1noc(CCNC(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC000318970494 970493598 /nfs/dbraw/zinc/49/35/98/970493598.db2.gz YQQDZMUCFDXTPY-UHFFFAOYSA-N -1 0 309.286 -0.790 20 0 DBADRM C[C@H](CCCNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001487523783 1014000564 /nfs/dbraw/zinc/00/05/64/1014000564.db2.gz NIJTXMZTIXGWFE-YIZRAAEISA-N -1 0 323.353 -0.047 20 0 DBADRM CC(=O)N(C)C[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001487688583 1014017353 /nfs/dbraw/zinc/01/73/53/1014017353.db2.gz SCPHFPPESIIADM-MRVPVSSYSA-N -1 0 306.326 -0.946 20 0 DBADRM CC(=O)N(C)C[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001487688584 1014017447 /nfs/dbraw/zinc/01/74/47/1014017447.db2.gz SCPHFPPESIIADM-QMMMGPOBSA-N -1 0 306.326 -0.946 20 0 DBADRM C[C@H](CN(C)C(=O)C(C)(F)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001487692108 1014017543 /nfs/dbraw/zinc/01/75/43/1014017543.db2.gz RBNRUPWADHHECU-ZCFIWIBFSA-N -1 0 321.284 -0.692 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)Cn2cncn2)c1[O-] ZINC001487751376 1014029171 /nfs/dbraw/zinc/02/91/71/1014029171.db2.gz MJEXNCPZDQDLAM-QMMMGPOBSA-N -1 0 321.341 -0.708 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCN2CCC(O)CC2)o1 ZINC000321058314 970739195 /nfs/dbraw/zinc/73/91/95/970739195.db2.gz ABJSXHMBHMQHMO-UHFFFAOYSA-N -1 0 318.351 -0.287 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)c2cc(C(=O)[O-])no2)CC1 ZINC000393598773 972615158 /nfs/dbraw/zinc/61/51/58/972615158.db2.gz NMAOJWWRLHVSEN-UHFFFAOYSA-N -1 0 303.296 -0.910 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC(=O)NCC(F)F)c[nH]1 ZINC000393643999 972620340 /nfs/dbraw/zinc/62/03/40/972620340.db2.gz COZRYNWLRBHJJU-UHFFFAOYSA-N -1 0 311.266 -0.628 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000393879177 972654533 /nfs/dbraw/zinc/65/45/33/972654533.db2.gz DEWHAWKIJNTCJN-UHFFFAOYSA-N -1 0 309.365 -0.285 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000394240189 972689828 /nfs/dbraw/zinc/68/98/28/972689828.db2.gz MWSLPTATOVAWHL-QMMMGPOBSA-N -1 0 306.340 -0.913 20 0 DBADRM CCN(CC)C(=O)CN(C)CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596246001 1017121988 /nfs/dbraw/zinc/12/19/88/1017121988.db2.gz LKCWWPOICJCRTK-RYUDHWBXSA-N -1 0 313.398 -0.034 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000394595110 972721380 /nfs/dbraw/zinc/72/13/80/972721380.db2.gz AVRBFZWQWMROAB-LLVKDONJSA-N -1 0 304.324 -0.545 20 0 DBADRM CC(=O)NCCCNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000394731919 972748556 /nfs/dbraw/zinc/74/85/56/972748556.db2.gz HKBGEVMDGXKZOZ-UHFFFAOYSA-N -1 0 301.324 -0.416 20 0 DBADRM CCN(C[C@H](O)C(F)(F)F)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001596237033 1017122250 /nfs/dbraw/zinc/12/22/50/1017122250.db2.gz HIBJZYKNQYIMMU-ZETCQYMHSA-N -1 0 322.305 -0.117 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cnc3n(c2=O)CCS3)C1 ZINC000395335610 972790331 /nfs/dbraw/zinc/79/03/31/972790331.db2.gz WBKYCQZHZQDQQG-LBPRGKRZSA-N -1 0 311.319 -0.989 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1CC[C@@H]1CCNC1=O ZINC000395949973 972842926 /nfs/dbraw/zinc/84/29/26/972842926.db2.gz YDWCVFVBAZOJIN-VHSXEESVSA-N -1 0 304.368 -0.914 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000397529731 973007493 /nfs/dbraw/zinc/00/74/93/973007493.db2.gz ZTYCCGVKQABRSK-UHFFFAOYSA-N -1 0 320.298 -0.178 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000397522362 973008181 /nfs/dbraw/zinc/00/81/81/973008181.db2.gz KPESCIATVRFUNO-UHFFFAOYSA-N -1 0 320.298 -0.178 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000397531724 973008471 /nfs/dbraw/zinc/00/84/71/973008471.db2.gz MKAOTICXODFREP-UHFFFAOYSA-N -1 0 308.337 -0.256 20 0 DBADRM C[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC000398223515 973085085 /nfs/dbraw/zinc/08/50/85/973085085.db2.gz FBVNTSCODQORLK-YUMQZZPRSA-N -1 0 300.336 -0.182 20 0 DBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)NC[C@@H](O)CC(=O)[O-])CS2 ZINC000398222939 973085969 /nfs/dbraw/zinc/08/59/69/973085969.db2.gz DCKZCEWWGIFKHX-SXMVTHIZSA-N -1 0 302.352 -0.608 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NC[C@H](O)CC(=O)[O-])cc1 ZINC000398232326 973088079 /nfs/dbraw/zinc/08/80/79/973088079.db2.gz IIJITSOMOHFCQZ-SECBINFHSA-N -1 0 301.320 -0.345 20 0 DBADRM Cc1ccc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])cc1C(N)=O ZINC000398248086 973092017 /nfs/dbraw/zinc/09/20/17/973092017.db2.gz UMZPTXSJMBZZPK-MRVPVSSYSA-N -1 0 316.335 -0.792 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000398253277 973093419 /nfs/dbraw/zinc/09/34/19/973093419.db2.gz XUYHIMPCZBOPEG-QMMMGPOBSA-N -1 0 317.319 -0.428 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)c1cccc2nsnc21 ZINC000398257726 973094339 /nfs/dbraw/zinc/09/43/39/973094339.db2.gz JWBCPEODPHOZNT-ZCFIWIBFSA-N -1 0 317.348 -0.195 20 0 DBADRM CC(C)C(=O)N1CCC(C(=O)NC[C@@H](O)CC(=O)[O-])CC1 ZINC000398426970 973140296 /nfs/dbraw/zinc/14/02/96/973140296.db2.gz SBTPVLWXFBOBAZ-NSHDSACASA-N -1 0 300.355 -0.167 20 0 DBADRM CCN(C[C@@H](C)OC)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001596236485 1017123563 /nfs/dbraw/zinc/12/35/63/1017123563.db2.gz XTRDESAKEZWPTM-MRVPVSSYSA-N -1 0 312.326 -0.060 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)C2CCCC2)c1[O-] ZINC001487978595 1014091702 /nfs/dbraw/zinc/09/17/02/1014091702.db2.gz REKOVXJOSUHAQN-SNVBAGLBSA-N -1 0 310.354 -0.179 20 0 DBADRM C[C@@H]1C[C@H](CO)CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000398742293 973167759 /nfs/dbraw/zinc/16/77/59/973167759.db2.gz MMDPEDQPWZHLEQ-SFYZADRCSA-N -1 0 303.340 -0.253 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)[C@@H](C)C[S@](C)=O)c1C(=O)[O-] ZINC000398882631 973178755 /nfs/dbraw/zinc/17/87/55/973178755.db2.gz IOLLAPMQHRFRTN-PVDFSEMESA-N -1 0 323.396 -0.196 20 0 DBADRM C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000398890710 973180187 /nfs/dbraw/zinc/18/01/87/973180187.db2.gz MRGGLCFLTKZILH-LILOVNGRSA-N -1 0 323.396 -0.645 20 0 DBADRM C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000398955850 973185462 /nfs/dbraw/zinc/18/54/62/973185462.db2.gz PFNVWFGVYMGIIT-DMWPKQFHSA-N -1 0 310.353 -0.240 20 0 DBADRM CSCCC(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001487974578 1014088578 /nfs/dbraw/zinc/08/85/78/1014088578.db2.gz BCKSGFCAFXRSGA-QMMMGPOBSA-N -1 0 316.383 -0.616 20 0 DBADRM C[C@H]1CC[C@H](O)CN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000399296408 973210473 /nfs/dbraw/zinc/21/04/73/973210473.db2.gz NUMAUMZRFWYRDU-IUCAKERBSA-N -1 0 303.340 -0.498 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC000400188785 973258921 /nfs/dbraw/zinc/25/89/21/973258921.db2.gz SWNZOCVFWLETSM-UHFFFAOYSA-N -1 0 315.351 -0.133 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000400262581 973262369 /nfs/dbraw/zinc/26/23/69/973262369.db2.gz IQOBYBFIXVYZTH-VIFPVBQESA-N -1 0 315.351 -0.133 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@H]1CCOC1 ZINC000401390253 973360966 /nfs/dbraw/zinc/36/09/66/973360966.db2.gz OJBXOPOTJFBMQB-NXEZZACHSA-N -1 0 305.352 -0.487 20 0 DBADRM C[C@H](NC(=O)CCNC(=O)CO)c1ncc(C(=O)[O-])s1 ZINC001571074643 1025810297 /nfs/dbraw/zinc/81/02/97/1025810297.db2.gz KZJSDLBDCVSJAY-LURJTMIESA-N -1 0 301.324 -0.483 20 0 DBADRM CC1(CO)CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC000401759063 973383041 /nfs/dbraw/zinc/38/30/41/973383041.db2.gz GUMUEHHVYIBTGH-UHFFFAOYSA-N -1 0 303.340 -0.109 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401781206 973387508 /nfs/dbraw/zinc/38/75/08/973387508.db2.gz HLOSHYCQWPHUQT-VHSXEESVSA-N -1 0 315.370 -0.232 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401785420 973390549 /nfs/dbraw/zinc/39/05/49/973390549.db2.gz KARLAROUIZQXSS-HBNTYKKESA-N -1 0 315.370 -0.232 20 0 DBADRM CC(C)(CNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000401828198 973426234 /nfs/dbraw/zinc/42/62/34/973426234.db2.gz MPDMEPNHQIQMIW-IUCAKERBSA-N -1 0 322.383 -0.713 20 0 DBADRM CC(C)(CNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000401828200 973426613 /nfs/dbraw/zinc/42/66/13/973426613.db2.gz MPDMEPNHQIQMIW-RKDXNWHRSA-N -1 0 322.383 -0.713 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2ccc(-n3cncn3)nc2)C1 ZINC000401902588 973510461 /nfs/dbraw/zinc/51/04/61/973510461.db2.gz FYDIHRJTJZMUGS-QWRGUYRKSA-N -1 0 317.305 -0.430 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C(C)(C)S(C)(=O)=O)CCO1 ZINC001604541055 973512791 /nfs/dbraw/zinc/51/27/91/973512791.db2.gz FAPJUVHDGCNRHB-GFCCVEGCSA-N -1 0 323.367 -0.862 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2nnnn2C[C@@H]2CCCO2)C1 ZINC001604541085 973513137 /nfs/dbraw/zinc/51/31/37/973513137.db2.gz GCJKUJXQCIJECU-GWCFXTLKSA-N -1 0 311.342 -0.220 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000401906787 973516648 /nfs/dbraw/zinc/51/66/48/973516648.db2.gz UKDZSFQWOGRZCO-GWOFURMSSA-N -1 0 322.383 -0.892 20 0 DBADRM Cc1nnc(CCNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)s1 ZINC000401910702 973522837 /nfs/dbraw/zinc/52/28/37/973522837.db2.gz KSOGWGXKSGWOBU-BDAKNGLRSA-N -1 0 314.367 -0.134 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2nnnn2[C@@H]2CCCOC2)C1 ZINC001604542059 973531511 /nfs/dbraw/zinc/53/15/11/973531511.db2.gz ZPEPNFURZGRFNY-MFKMUULPSA-N -1 0 311.342 -0.048 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(Cc2nnnn2Cc2ccccc2)C1 ZINC000401942898 973550706 /nfs/dbraw/zinc/55/07/06/973550706.db2.gz HHPXKGMSCVPYBG-OLZOCXBDSA-N -1 0 317.349 -0.011 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)Cn2c(=O)oc3ccccc32)C1 ZINC000401950327 973555899 /nfs/dbraw/zinc/55/58/99/973555899.db2.gz UJWWXFLYPZFVJZ-NXEZZACHSA-N -1 0 320.301 -0.112 20 0 DBADRM Cc1c(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cnn1C ZINC000401967758 973573306 /nfs/dbraw/zinc/57/33/06/973573306.db2.gz HFKVIFZZDCJPJV-DTWKUNHWSA-N -1 0 303.340 -0.815 20 0 DBADRM CC[C@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@]1(F)C(=O)[O-] ZINC001573817538 1026638148 /nfs/dbraw/zinc/63/81/48/1026638148.db2.gz UREQDCRTYNYSLX-GZMMTYOYSA-N -1 0 310.347 -0.413 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000402623385 973632787 /nfs/dbraw/zinc/63/27/87/973632787.db2.gz WBSDNQCSZPTPRU-VHSXEESVSA-N -1 0 315.351 -0.371 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)Nc1ncc(C(=O)[O-])n1C ZINC001573872427 1026647248 /nfs/dbraw/zinc/64/72/48/1026647248.db2.gz CKBRPMHWAFYKTF-UHFFFAOYSA-N -1 0 304.328 -0.373 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@@H](C)CS(=O)(=O)CC ZINC001573724355 1026625601 /nfs/dbraw/zinc/62/56/01/1026625601.db2.gz JCNBIGXCCHJPKF-DTWKUNHWSA-N -1 0 315.413 -0.018 20 0 DBADRM C[C@@H](CNC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])S(N)(=O)=O ZINC000405506338 973893760 /nfs/dbraw/zinc/89/37/60/973893760.db2.gz DMXWXZPVISZBRO-XHNCKOQMSA-N -1 0 307.372 -0.394 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)Cc1ccon1 ZINC001596333507 1017127992 /nfs/dbraw/zinc/12/79/92/1017127992.db2.gz RFIKJNBEBKYPHL-GHMZBOCLSA-N -1 0 309.322 -0.098 20 0 DBADRM CC(=O)N1CC[C@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001527055345 1014170932 /nfs/dbraw/zinc/17/09/32/1014170932.db2.gz UNBUMGFSAYZQKT-SNVBAGLBSA-N -1 0 318.337 -0.944 20 0 DBADRM COCCC(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001488084000 1014202712 /nfs/dbraw/zinc/20/27/12/1014202712.db2.gz OXWYCSKBSZHUNO-VIFPVBQESA-N -1 0 313.358 -0.926 20 0 DBADRM C/C=C(\C)C(=O)NC[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001527231671 1014202734 /nfs/dbraw/zinc/20/27/34/1014202734.db2.gz KLHLGJHUUQZYBP-OTVCUZDGSA-N -1 0 323.353 -0.380 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)CC(=O)N=[S@](C)(=O)N(C)C ZINC001591710927 975588734 /nfs/dbraw/zinc/58/87/34/975588734.db2.gz ANYNMOCZEXTADL-CWKPULSASA-N -1 0 323.415 -0.103 20 0 DBADRM CC(C)OCCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001591722721 975666637 /nfs/dbraw/zinc/66/66/37/975666637.db2.gz LLPPPBPQKAYVIK-MNOVXSKESA-N -1 0 316.354 -0.788 20 0 DBADRM C[C@H](CCNC(=O)[C@@H]1CC12CC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001527806213 1014297592 /nfs/dbraw/zinc/29/75/92/1014297592.db2.gz WJDZQEDHDMKLHS-BDAKNGLRSA-N -1 0 323.353 -0.500 20 0 DBADRM CC(=O)N[C@H]1CC[C@@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001488276538 1014312774 /nfs/dbraw/zinc/31/27/74/1014312774.db2.gz JUFGIRICCMRDAE-ZJUUUORDSA-N -1 0 323.353 -0.364 20 0 DBADRM CCN(CCNC(=O)Cc1cnoc1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596334369 1017132293 /nfs/dbraw/zinc/13/22/93/1017132293.db2.gz FWOZEOHOMRPCKF-QWRGUYRKSA-N -1 0 309.322 -0.098 20 0 DBADRM CC/C=C(/C)C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001527959794 1014321374 /nfs/dbraw/zinc/32/13/74/1014321374.db2.gz QWZYFELYQILRDL-YVMONPNESA-N -1 0 309.326 -0.173 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2ccnn2C)c1[O-] ZINC001528040661 1014343145 /nfs/dbraw/zinc/34/31/45/1014343145.db2.gz AHKCEWBEEASCMZ-UHFFFAOYSA-N -1 0 306.326 -0.341 20 0 DBADRM Cc1nnc(NNC(=O)CNC(=O)c2cccs2)[n-]c1=O ZINC000011548322 977393100 /nfs/dbraw/zinc/39/31/00/977393100.db2.gz NHZDYZLMGJEIMK-UHFFFAOYSA-N -1 0 308.323 -0.592 20 0 DBADRM COC(=O)CCCNC(=S)NNc1nnc(C)c(=O)[n-]1 ZINC000011046335 977393909 /nfs/dbraw/zinc/39/39/09/977393909.db2.gz DPRYAKVWKAWXRU-UHFFFAOYSA-N -1 0 300.344 -0.370 20 0 DBADRM Cc1nccn1CC(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000909201871 977434254 /nfs/dbraw/zinc/43/42/54/977434254.db2.gz PDPLLNVTACSAED-UHFFFAOYSA-N -1 0 322.365 -0.027 20 0 DBADRM Cc1nc[nH]c1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990855287 977456951 /nfs/dbraw/zinc/45/69/51/977456951.db2.gz SYDKMIZRUTYZAS-UHFFFAOYSA-N -1 0 304.310 -0.290 20 0 DBADRM O=C(Cc1nc[nH]n1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052852762 977823232 /nfs/dbraw/zinc/82/32/32/977823232.db2.gz KEWDINPTGGHEKF-VIFPVBQESA-N -1 0 320.357 -0.658 20 0 DBADRM CCC(=O)NC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001053116243 977853204 /nfs/dbraw/zinc/85/32/04/977853204.db2.gz VYSATJJDHZOXNK-DTWKUNHWSA-N -1 0 311.342 -0.690 20 0 DBADRM CC(=O)N1CCOC2(CN(Cc3cc(=O)n4[n-]ccc4n3)C2)C1 ZINC001053110751 977853295 /nfs/dbraw/zinc/85/32/95/977853295.db2.gz QFZPXZUCVZIQJZ-UHFFFAOYSA-N -1 0 317.349 -0.544 20 0 DBADRM C[C@H](C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)C1CC1 ZINC001053205896 977882068 /nfs/dbraw/zinc/88/20/68/977882068.db2.gz OMECXBNNHFONAW-JTQLQIEISA-N -1 0 321.381 -0.030 20 0 DBADRM CC(C)CN1CC2(C1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)CCO2 ZINC001053326403 977927488 /nfs/dbraw/zinc/92/74/88/977927488.db2.gz DXWZBUCLRSYVJN-UHFFFAOYSA-N -1 0 323.353 -0.534 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053412435 977951579 /nfs/dbraw/zinc/95/15/79/977951579.db2.gz VUGAOIKWRJIFHW-MNOVXSKESA-N -1 0 321.381 -0.030 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCC3(CN(C[C@@H](C)O)C3)O2)c1[O-] ZINC001053589625 978003224 /nfs/dbraw/zinc/00/32/24/978003224.db2.gz MTTUMIBGWPDQCY-MWLCHTKSSA-N -1 0 324.381 -0.232 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)[C@H]1CCCO1 ZINC001053730101 978041348 /nfs/dbraw/zinc/04/13/48/978041348.db2.gz YBNKMSJPOGMENH-NXEZZACHSA-N -1 0 323.353 -0.851 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1ccn[nH]1 ZINC001053744072 978048722 /nfs/dbraw/zinc/04/87/22/978048722.db2.gz FQVGZGLSIYBYSL-QMMMGPOBSA-N -1 0 319.325 -0.993 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)[C@@H]1CCOC1 ZINC001053751685 978052544 /nfs/dbraw/zinc/05/25/44/978052544.db2.gz NTZZJYJIENZEHZ-NXEZZACHSA-N -1 0 323.353 -0.994 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1cocn1 ZINC001053757704 978057597 /nfs/dbraw/zinc/05/75/97/978057597.db2.gz BWMGVPIBFONWPT-MRVPVSSYSA-N -1 0 320.309 -0.728 20 0 DBADRM CC1(C(=O)N[C@@H]2COC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)CC1 ZINC001053809149 978085248 /nfs/dbraw/zinc/08/52/48/978085248.db2.gz BRXBMTKJPNNENB-VIFPVBQESA-N -1 0 307.354 -0.230 20 0 DBADRM CC(C)N1CC2(C1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858446 978119112 /nfs/dbraw/zinc/11/91/12/978119112.db2.gz GXMCAEBRYNWVSQ-QMMMGPOBSA-N -1 0 309.326 -0.736 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1cnco1 ZINC001053885061 978129852 /nfs/dbraw/zinc/12/98/52/978129852.db2.gz CWRKGZBIXMUSND-QMMMGPOBSA-N -1 0 320.309 -0.728 20 0 DBADRM CCN1CC2(C1)C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)CO2 ZINC001053891248 978134146 /nfs/dbraw/zinc/13/41/46/978134146.db2.gz QWBWWNBFNLEYKH-SECBINFHSA-N -1 0 308.338 -0.921 20 0 DBADRM CCN(CCNC(=O)C(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001528718255 1014461982 /nfs/dbraw/zinc/46/19/82/1014461982.db2.gz LIXISSFNFNWLQX-UHFFFAOYSA-N -1 0 305.241 -0.874 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCc1c[nH]cn1 ZINC001207452574 978204385 /nfs/dbraw/zinc/20/43/85/978204385.db2.gz BNIYZCHXVJOEBO-MWLCHTKSSA-N -1 0 319.369 -0.197 20 0 DBADRM COCC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)CC1 ZINC001207984545 978296181 /nfs/dbraw/zinc/29/61/81/978296181.db2.gz COTQCYMGCIFAFN-NXEZZACHSA-N -1 0 309.370 -0.127 20 0 DBADRM CCN(OC)C(=O)CN1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001596380683 1017134868 /nfs/dbraw/zinc/13/48/68/1017134868.db2.gz UZPIOPSOGMKAPU-BDAKNGLRSA-N -1 0 313.310 -0.476 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)c1ncn(C)n1 ZINC001528810409 1014478267 /nfs/dbraw/zinc/47/82/67/1014478267.db2.gz KSVCRQCLQBVRTO-UHFFFAOYSA-N -1 0 321.341 -0.556 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208827438 978412342 /nfs/dbraw/zinc/41/23/42/978412342.db2.gz JOECQRRVGLLGIN-DVVUODLYSA-N -1 0 324.385 -0.639 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3CC[C@@H]3C(=O)[O-])CCN2C1=O ZINC001596390670 1017135903 /nfs/dbraw/zinc/13/59/03/1017135903.db2.gz YMLNDCNZPRJFND-KXUCPTDWSA-N -1 0 309.322 -0.408 20 0 DBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1nccs1 ZINC001210990329 978545511 /nfs/dbraw/zinc/54/55/11/978545511.db2.gz CCMYVXABJRBWPR-UHFFFAOYSA-N -1 0 304.313 -0.846 20 0 DBADRM CO[C@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001212012126 978604514 /nfs/dbraw/zinc/60/45/14/978604514.db2.gz NTIYXFHCGKVEBC-OPRDCNLKSA-N -1 0 313.358 -0.749 20 0 DBADRM COC[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001212028146 978608668 /nfs/dbraw/zinc/60/86/68/978608668.db2.gz KXGCCDZIIIOYAO-IVZWLZJFSA-N -1 0 313.358 -0.892 20 0 DBADRM CC[C@H](F)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001213277931 978665625 /nfs/dbraw/zinc/66/56/25/978665625.db2.gz KJIBPCBVPBWTQX-DJLDLDEBSA-N -1 0 301.322 -0.426 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001213277932 978666017 /nfs/dbraw/zinc/66/60/17/978666017.db2.gz KJIBPCBVPBWTQX-IWSPIJDZSA-N -1 0 301.322 -0.426 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)n1 ZINC001213602880 978682014 /nfs/dbraw/zinc/68/20/14/978682014.db2.gz BJNPFIVADZESLH-UHFFFAOYSA-N -1 0 306.307 -0.148 20 0 DBADRM CCCC(=O)N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O ZINC001219103032 978875976 /nfs/dbraw/zinc/87/59/76/978875976.db2.gz MCJQOMAMXGUPSH-NEPJUHHUSA-N -1 0 319.365 -0.516 20 0 DBADRM C/C(=C/C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC1 ZINC001219281530 978905192 /nfs/dbraw/zinc/90/51/92/978905192.db2.gz JKSDMEAOWPRBBL-XQXCJCPYSA-N -1 0 307.354 -0.472 20 0 DBADRM CC(C)[C@@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219353498 978921353 /nfs/dbraw/zinc/92/13/53/978921353.db2.gz CWUUZWJYVXGSIG-AXFHLTTASA-N -1 0 311.386 -0.146 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@](C)(CCF)C(=O)[O-])CC1=O ZINC001596401508 1017136409 /nfs/dbraw/zinc/13/64/09/1017136409.db2.gz DTOOPSSUKCPLLZ-LDYMZIIASA-N -1 0 310.347 -0.271 20 0 DBADRM CCCC[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219561975 978967185 /nfs/dbraw/zinc/96/71/85/978967185.db2.gz HGDQAYIMLXNMIE-AXFHLTTASA-N -1 0 311.386 -0.002 20 0 DBADRM CCCC[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219561976 978967481 /nfs/dbraw/zinc/96/74/81/978967481.db2.gz HGDQAYIMLXNMIE-MXWKQRLJSA-N -1 0 311.386 -0.002 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C(C)(C)C ZINC001219883528 979037706 /nfs/dbraw/zinc/03/77/06/979037706.db2.gz ULQAYAHUSMXDQJ-AEJSXWLSSA-N -1 0 311.386 -0.146 20 0 DBADRM C[NH2+]CCNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001220059398 979082131 /nfs/dbraw/zinc/08/21/31/979082131.db2.gz ZCFIJXDDCRGVSP-UHFFFAOYSA-N -1 0 302.308 -0.419 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@@H](N)c2ccsc2)C(=O)N1S(=O)(=O)[O-] ZINC001220099035 979093236 /nfs/dbraw/zinc/09/32/36/979093236.db2.gz BXNSNGHPBZEKHU-GEVIPFJHSA-N -1 0 319.364 -0.734 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C(F)(F)F ZINC001220166236 979122568 /nfs/dbraw/zinc/12/25/68/979122568.db2.gz UVTAVPQAIYSQHA-XVMARJQXSA-N -1 0 323.275 -0.630 20 0 DBADRM [NH3+][C@H](Cc1ccccc1F)C(=O)NCCOP(=O)([O-])[O-] ZINC001220220722 979140648 /nfs/dbraw/zinc/14/06/48/979140648.db2.gz CCRAJTPVXKUAIX-SNVBAGLBSA-N -1 0 306.230 -0.079 20 0 DBADRM CC(C)CCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220404909 979191238 /nfs/dbraw/zinc/19/12/38/979191238.db2.gz GHTUBHBITDQCHZ-MNOVXSKESA-N -1 0 311.386 -0.002 20 0 DBADRM COC[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221439954 979423612 /nfs/dbraw/zinc/42/36/12/979423612.db2.gz MGVOQFMHKHRFOT-GMTAPVOTSA-N -1 0 309.370 -0.175 20 0 DBADRM Cc1nnc(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])o1 ZINC001222244920 979501597 /nfs/dbraw/zinc/50/15/97/979501597.db2.gz OALSPEZRDADYKG-JTQLQIEISA-N -1 0 321.355 -0.517 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCc1ncccn1 ZINC001222256522 979503952 /nfs/dbraw/zinc/50/39/52/979503952.db2.gz NVHLXDBVMCSXHO-LLVKDONJSA-N -1 0 317.367 -0.418 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCc1cnoc1 ZINC001222371152 979509386 /nfs/dbraw/zinc/50/93/86/979509386.db2.gz YZQOSGCLGKDAAC-LLVKDONJSA-N -1 0 306.340 -0.220 20 0 DBADRM CC(=O)N(C)CC(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001222425308 979511139 /nfs/dbraw/zinc/51/11/39/979511139.db2.gz AXFAVNSWNHHQOL-UHFFFAOYSA-N -1 0 324.385 -0.683 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCc1ncon1 ZINC001222894677 979529898 /nfs/dbraw/zinc/52/98/98/979529898.db2.gz AGJZHBVZEQELMJ-SECBINFHSA-N -1 0 307.328 -0.825 20 0 DBADRM CS(=O)(=O)c1ccccc1COC(=O)[C@@H](O)CC(=O)[O-] ZINC001223714815 979556237 /nfs/dbraw/zinc/55/62/37/979556237.db2.gz MAGATVRPEGXZBF-VIFPVBQESA-N -1 0 302.304 -0.031 20 0 DBADRM CCN1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C[C@@H]1C ZINC001596396279 1017137572 /nfs/dbraw/zinc/13/75/72/1017137572.db2.gz QOHCUBJFWBXOHU-BJDJZHNGSA-N -1 0 311.382 -0.236 20 0 DBADRM CC1(C)O[C@H]2O[C@@H]3[C@H](OCC[P@@](=O)([O-])O)C(=O)O[C@@H]3[C@H]2O1 ZINC001224608114 979576787 /nfs/dbraw/zinc/57/67/87/979576787.db2.gz ZFUXJXRSLKEVIR-UFNQKSLJSA-N -1 0 324.222 -0.649 20 0 DBADRM C[N@@H+]1CCCC[C@@H]1COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001224707779 979581748 /nfs/dbraw/zinc/58/17/48/979581748.db2.gz SQIMKFZHKJDOER-KKZNHRDASA-N -1 0 303.311 -0.450 20 0 DBADRM NC(=O)CCCC(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001225665096 979600835 /nfs/dbraw/zinc/60/08/35/979600835.db2.gz JVEBVUJIDJLQIT-UHFFFAOYSA-N -1 0 324.385 -0.506 20 0 DBADRM Cc1ccnc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001225634890 979601300 /nfs/dbraw/zinc/60/13/00/979601300.db2.gz RDDKQJPAMAIHCG-LLVKDONJSA-N -1 0 317.367 -0.248 20 0 DBADRM C[C@@H]1[C@@H](Oc2c([O-])c(=O)c(=O)c2=O)CN1C(=O)OC(C)(C)C ZINC001225831521 979607677 /nfs/dbraw/zinc/60/76/77/979607677.db2.gz WPHHVAHIVRHNJG-RQJHMYQMSA-N -1 0 311.290 -0.265 20 0 DBADRM COC(=O)[C@@H](Oc1c([O-])c(=O)c(=O)c1=O)c1cccc(F)c1 ZINC001225830474 979607851 /nfs/dbraw/zinc/60/78/51/979607851.db2.gz JWVNLFKFKLTQCC-LBPRGKRZSA-N -1 0 308.217 -0.219 20 0 DBADRM COC(=O)[C@H](Cc1ccccc1)Oc1c([O-])c(=O)c(=O)c1=O ZINC001225833969 979608577 /nfs/dbraw/zinc/60/85/77/979608577.db2.gz OIEHBDIUHZRIMJ-VIFPVBQESA-N -1 0 304.254 -0.489 20 0 DBADRM O=C(CCn1cncn1)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001226085860 979619304 /nfs/dbraw/zinc/61/93/04/979619304.db2.gz YNUVPVCPUGDXHX-UHFFFAOYSA-N -1 0 320.357 -0.727 20 0 DBADRM Cn1nccc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001226397623 979632458 /nfs/dbraw/zinc/63/24/58/979632458.db2.gz ZGEMZVJAQAHLCX-JTQLQIEISA-N -1 0 305.356 -0.613 20 0 DBADRM Cc1cc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n[nH]1 ZINC001226667007 979641115 /nfs/dbraw/zinc/64/11/15/979641115.db2.gz KHJYBONOKQCFQB-JTQLQIEISA-N -1 0 305.356 -0.314 20 0 DBADRM CC(=O)OC[C@@H](COc1[n-]c(=O)nc2nccnc21)OC(C)=O ZINC001226992465 979652853 /nfs/dbraw/zinc/65/28/53/979652853.db2.gz UHGWSEGBRJBKLJ-VIFPVBQESA-N -1 0 322.277 -0.001 20 0 DBADRM Cc1cnc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])nc1 ZINC001227054603 979658337 /nfs/dbraw/zinc/65/83/37/979658337.db2.gz ZUQPIJFSUDVSOK-NSHDSACASA-N -1 0 317.367 -0.248 20 0 DBADRM NS(=O)(=O)c1ccc(OC(=O)[C@H](O)CCC(=O)[O-])cc1 ZINC001227197880 979662958 /nfs/dbraw/zinc/66/29/58/979662958.db2.gz GDOWSQJKYWIXIX-SECBINFHSA-N -1 0 303.292 -0.535 20 0 DBADRM O=c1cc(O)nc(OC[C@@H]2COCCOCCOCCO2)[n-]1 ZINC001228387968 979672544 /nfs/dbraw/zinc/67/25/44/979672544.db2.gz DKXKHAMBXFCHDU-JTQLQIEISA-N -1 0 316.310 -0.285 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)Oc1ccc(C(=O)N2CCOCC2)cc1 ZINC001228331984 979672632 /nfs/dbraw/zinc/67/26/32/979672632.db2.gz FSUPCSBSMQIFJU-GFCCVEGCSA-N -1 0 323.301 -0.100 20 0 DBADRM COC(=O)c1nnc(OC(COC(C)=O)COC(C)=O)[n-]1 ZINC001228313174 979673573 /nfs/dbraw/zinc/67/35/73/979673573.db2.gz ZEUPWJIRXLXYIW-UHFFFAOYSA-N -1 0 301.255 -0.535 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1c(C)c(C)n[nH]c1=O ZINC001326529165 979738780 /nfs/dbraw/zinc/73/87/80/979738780.db2.gz CWPPCSIQQGSRRJ-UHFFFAOYSA-N -1 0 312.326 -0.500 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H]1CCCN(C(C)=O)C1 ZINC001326506594 979739318 /nfs/dbraw/zinc/73/93/18/979739318.db2.gz WJMKNEPOGBAHGH-NSHDSACASA-N -1 0 300.359 -0.388 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC001326606011 979743549 /nfs/dbraw/zinc/74/35/49/979743549.db2.gz GETBUEWNAXPICB-VIFPVBQESA-N -1 0 323.349 -0.811 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC001326715593 979761178 /nfs/dbraw/zinc/76/11/78/979761178.db2.gz HRJCENHGGNSMBY-QWRGUYRKSA-N -1 0 315.370 -0.820 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC001326748786 979762257 /nfs/dbraw/zinc/76/22/57/979762257.db2.gz CMOOWXYQEUDDOR-UWVGGRQHSA-N -1 0 301.343 -0.946 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C ZINC001326748801 979763031 /nfs/dbraw/zinc/76/30/31/979763031.db2.gz CUEREXYIPPMDCU-UWVGGRQHSA-N -1 0 301.343 -0.804 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC001326761048 979764808 /nfs/dbraw/zinc/76/48/08/979764808.db2.gz BTKOTXLYHMPBBZ-UHFFFAOYSA-N -1 0 312.370 -0.246 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(-n2ccnc2)nn1 ZINC001326776548 979766420 /nfs/dbraw/zinc/76/64/20/979766420.db2.gz UTUVPPPXERRXCL-UHFFFAOYSA-N -1 0 301.266 -0.689 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001326818323 979769841 /nfs/dbraw/zinc/76/98/41/979769841.db2.gz TWTCGUZHSGKKPJ-VXGBXAGGSA-N -1 0 316.354 -0.477 20 0 DBADRM CCO[C@H]1COCC[C@H]1NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001326818320 979770420 /nfs/dbraw/zinc/77/04/20/979770420.db2.gz TWTCGUZHSGKKPJ-NEPJUHHUSA-N -1 0 316.354 -0.477 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)c1cn(C)nc1C ZINC001326963349 979782959 /nfs/dbraw/zinc/78/29/59/979782959.db2.gz NOCAXHWPQDIPCR-MRVPVSSYSA-N -1 0 311.342 -0.910 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001326970257 979785523 /nfs/dbraw/zinc/78/55/23/979785523.db2.gz FLWZPBCGMKRAML-GFCCVEGCSA-N -1 0 311.382 -0.136 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1ccc([S@](C)=O)cc1 ZINC001327182264 979796195 /nfs/dbraw/zinc/79/61/95/979796195.db2.gz HQKWCBRQZXCNPD-NRFANRHFSA-N -1 0 314.363 -0.266 20 0 DBADRM COC(=O)C1=CC[C@H](NC(=O)C(=O)[N-]OCCSC)C1 ZINC001330426612 979822154 /nfs/dbraw/zinc/82/21/54/979822154.db2.gz UEHQPNMSFKSHMG-VIFPVBQESA-N -1 0 302.352 -0.225 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC(C2CCOCC2)C1 ZINC001331074661 979854020 /nfs/dbraw/zinc/85/40/20/979854020.db2.gz LSTUAOHPGKVCFW-UMSPYCQHSA-N -1 0 310.350 -0.149 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@H](C)SC)C1 ZINC001331493885 979883219 /nfs/dbraw/zinc/88/32/19/979883219.db2.gz SULYSXPKKNRSSC-ZANVPECISA-N -1 0 318.395 -0.196 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCOC[C@H]1C1CC1 ZINC001343131647 979921012 /nfs/dbraw/zinc/92/10/12/979921012.db2.gz NVTDDTBBCIUKLP-LBPRGKRZSA-N -1 0 316.354 -0.075 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NCCS(=O)(=O)CC1CC1 ZINC001343167859 979924691 /nfs/dbraw/zinc/92/46/91/979924691.db2.gz DMSBBTVZYRXAEW-UHFFFAOYSA-N -1 0 306.384 -0.369 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)CCc1ncccn1 ZINC001343662295 979957998 /nfs/dbraw/zinc/95/79/98/979957998.db2.gz AMCYEKUPIXLWOP-UHFFFAOYSA-N -1 0 317.367 -0.482 20 0 DBADRM CN(C)c1ccc(CNC(=O)C(=O)[N-]OC2CCOCC2)cn1 ZINC001345018164 980027636 /nfs/dbraw/zinc/02/76/36/980027636.db2.gz BJDURVYUGIYEBR-UHFFFAOYSA-N -1 0 322.365 -0.009 20 0 DBADRM CN(C)C(=O)CCCNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001345438222 980054900 /nfs/dbraw/zinc/05/49/00/980054900.db2.gz KLLOCKMOQMJZGX-JTQLQIEISA-N -1 0 301.343 -0.945 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCC(=O)N1CCCCC1 ZINC001346055728 980111151 /nfs/dbraw/zinc/11/11/51/980111151.db2.gz BPTMGCUAVNZVHM-UHFFFAOYSA-N -1 0 303.384 -0.474 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC001346307796 980128230 /nfs/dbraw/zinc/12/82/30/980128230.db2.gz VLKVCFORRVOAHO-UHFFFAOYSA-N -1 0 321.380 -0.878 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC001346370593 980135338 /nfs/dbraw/zinc/13/53/38/980135338.db2.gz NCGWOSHNTVMQSJ-NXEZZACHSA-N -1 0 317.411 -0.039 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CCC(F)(F)C1 ZINC001346373131 980136070 /nfs/dbraw/zinc/13/60/70/980136070.db2.gz KGGILEJDWUVBSX-QMMMGPOBSA-N -1 0 307.297 -0.278 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC001346383195 980138602 /nfs/dbraw/zinc/13/86/02/980138602.db2.gz CNMHQDLDSQSDOL-MXWKQRLJSA-N -1 0 313.354 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CCCO)CC(C)(C)C ZINC001346415988 980141401 /nfs/dbraw/zinc/14/14/01/980141401.db2.gz SLCJBIAVNQGXPD-UHFFFAOYSA-N -1 0 317.386 -0.573 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(CCCO)CC1 ZINC001346416221 980141457 /nfs/dbraw/zinc/14/14/57/980141457.db2.gz VATVBQJSDQNRSM-UHFFFAOYSA-N -1 0 315.370 -0.819 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCOC[C@H]1CC(C)C ZINC001346415575 980142061 /nfs/dbraw/zinc/14/20/61/980142061.db2.gz PWFGCWUGGINJSE-LLVKDONJSA-N -1 0 315.370 -0.556 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCC(=O)N1CCCC1)C(=O)[O-] ZINC001346503381 980147556 /nfs/dbraw/zinc/14/75/56/980147556.db2.gz GHXDZIQGBHEXDS-JTQLQIEISA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1c1nncn1C)C(=O)[O-] ZINC001346513943 980147576 /nfs/dbraw/zinc/14/75/76/980147576.db2.gz FJHLNCSJAIPINH-IUCAKERBSA-N -1 0 309.326 -0.685 20 0 DBADRM CC(=O)NC[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC001346520037 980148562 /nfs/dbraw/zinc/14/85/62/980148562.db2.gz ZOXJCBSZWMQDAN-MWLCHTKSSA-N -1 0 313.354 -0.802 20 0 DBADRM CN1CCc2c(NC(=O)C(=O)NCCC(=O)[O-])cccc2C1=O ZINC001347045749 980191402 /nfs/dbraw/zinc/19/14/02/980191402.db2.gz GTITYVUPLLNEBF-UHFFFAOYSA-N -1 0 319.317 -0.156 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)[N-]OC2CCOCC2)CCOC1 ZINC001347233698 980208506 /nfs/dbraw/zinc/20/85/06/980208506.db2.gz HPZJBEKBQGNKQS-CYBMUJFWSA-N -1 0 302.327 -0.865 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C1=O ZINC001347552035 980230871 /nfs/dbraw/zinc/23/08/71/980230871.db2.gz STWWMAXMYDXTSW-QMMMGPOBSA-N -1 0 300.340 -0.988 20 0 DBADRM Cn1[n-]c(C(=O)NCCCN2C(=O)NC(C)(C)C2=O)cc1=O ZINC001348100667 980259405 /nfs/dbraw/zinc/25/94/05/980259405.db2.gz AHQVLCYYVGUOQG-UHFFFAOYSA-N -1 0 309.326 -0.424 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001595278617 980312688 /nfs/dbraw/zinc/31/26/88/980312688.db2.gz GWPXOOCOJKPDDR-NXEZZACHSA-N -1 0 309.326 -0.336 20 0 DBADRM C/C=C(/C)C(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001348745027 980356876 /nfs/dbraw/zinc/35/68/76/980356876.db2.gz ICOLANCDYDGPLO-OQFOIZHKSA-N -1 0 303.322 -0.165 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001348755902 980358849 /nfs/dbraw/zinc/35/88/49/980358849.db2.gz YJBIJMRBOYHDKW-CXWACVEQSA-N -1 0 305.334 -0.534 20 0 DBADRM Cc1cnn(C)c1C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001348789000 980363312 /nfs/dbraw/zinc/36/33/12/980363312.db2.gz QTDFGJFMCCKHGR-UHFFFAOYSA-N -1 0 306.326 -0.375 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1conc1COC ZINC001348982687 980396093 /nfs/dbraw/zinc/39/60/93/980396093.db2.gz HLTMJEOMJPYCQL-UHFFFAOYSA-N -1 0 322.339 -0.456 20 0 DBADRM CC(C)[C@H](F)C(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001349017423 980398741 /nfs/dbraw/zinc/39/87/41/980398741.db2.gz TYVFRXPWTSSBAK-NSHDSACASA-N -1 0 323.328 -0.137 20 0 DBADRM Cc1c[nH]cc1C(=O)NCCNC(=O)c1cnc([O-])n(C)c1=O ZINC001349026313 980399816 /nfs/dbraw/zinc/39/98/16/980399816.db2.gz YYRSDVMTTDEBBM-UHFFFAOYSA-N -1 0 319.321 -0.718 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001349241547 980441424 /nfs/dbraw/zinc/44/14/24/980441424.db2.gz ZSNLFAACPRZWEF-AEJSXWLSSA-N -1 0 323.353 -0.642 20 0 DBADRM CC(F)(F)CCC(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001349290163 980451376 /nfs/dbraw/zinc/45/13/76/980451376.db2.gz QGLPKYDKKRJVMM-UHFFFAOYSA-N -1 0 319.268 -0.436 20 0 DBADRM CC[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@@H](O)C(F)(F)F ZINC001595307115 980463884 /nfs/dbraw/zinc/46/38/84/980463884.db2.gz VWDGYTCULIUMQS-HTRCEHHLSA-N -1 0 322.305 -0.071 20 0 DBADRM CC1(C)CC[C@H](C(=O)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001349405682 980464613 /nfs/dbraw/zinc/46/46/13/980464613.db2.gz BBLAMYCBRXICGF-QMMMGPOBSA-N -1 0 323.353 -0.045 20 0 DBADRM O=C(CCCC1CC1)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001349406879 980464854 /nfs/dbraw/zinc/46/48/54/980464854.db2.gz LZBSJLDGDKWEMP-UHFFFAOYSA-N -1 0 309.326 -0.291 20 0 DBADRM CC1(C)CC[C@@H](C(=O)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001349405681 980464914 /nfs/dbraw/zinc/46/49/14/980464914.db2.gz BBLAMYCBRXICGF-MRVPVSSYSA-N -1 0 323.353 -0.045 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC001349427795 980467401 /nfs/dbraw/zinc/46/74/01/980467401.db2.gz LBCAEQUDJKNQHV-ZJUUUORDSA-N -1 0 315.395 -0.333 20 0 DBADRM CC(C)C[C@@H](C)C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001349431748 980470016 /nfs/dbraw/zinc/47/00/16/980470016.db2.gz ICJAQZKSLDPOCA-SECBINFHSA-N -1 0 313.358 -0.396 20 0 DBADRM O=C([O-])c1cn(C2CCN(c3ccc4nnnn4n3)CC2)nn1 ZINC001349485681 980476960 /nfs/dbraw/zinc/47/69/60/980476960.db2.gz BPGUTPYPHIUIRU-UHFFFAOYSA-N -1 0 315.297 -0.350 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(OC)OC ZINC001595316044 980480038 /nfs/dbraw/zinc/48/00/38/980480038.db2.gz BRQFVKWYAPOXMD-SECBINFHSA-N -1 0 321.355 -0.357 20 0 DBADRM O=C(c1cnc2cccnn21)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001349544512 980482881 /nfs/dbraw/zinc/48/28/81/980482881.db2.gz GDLVUUQJEABCRX-SECBINFHSA-N -1 0 300.282 -0.544 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2nc(C)nn2c1 ZINC001349572972 980487441 /nfs/dbraw/zinc/48/74/41/980487441.db2.gz LYQNYPIQMVBBNG-UHFFFAOYSA-N -1 0 320.309 -0.840 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCC(O)(CC)CC ZINC001349726261 980500665 /nfs/dbraw/zinc/50/06/65/980500665.db2.gz MQGSNDBXQDFOME-UHFFFAOYSA-N -1 0 303.359 -0.772 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@@H]1CC[C@@H](SC)C1 ZINC001349753013 980504899 /nfs/dbraw/zinc/50/48/99/980504899.db2.gz JOIYEXVQNHALDA-NXEZZACHSA-N -1 0 317.411 -0.087 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](CC)OC[C@@H]1C ZINC001349756591 980506221 /nfs/dbraw/zinc/50/62/21/980506221.db2.gz XBLIILOUGUWUCO-UWVGGRQHSA-N -1 0 301.343 -0.804 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)C(=O)NCCCCC(=O)[O-] ZINC001349804470 980511436 /nfs/dbraw/zinc/51/14/36/980511436.db2.gz ZNBLKPWBRWBGON-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCSC2)C1 ZINC001349936883 980525580 /nfs/dbraw/zinc/52/55/80/980525580.db2.gz DAXSDKLQEFHXOF-TVQRCGJNSA-N -1 0 316.379 -0.442 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001349936990 980525794 /nfs/dbraw/zinc/52/57/94/980525794.db2.gz GGDHPXHZHAMFNZ-UTUOFQBUSA-N -1 0 309.366 -0.434 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCSC2)C1 ZINC001349936878 980526295 /nfs/dbraw/zinc/52/62/95/980526295.db2.gz DAXSDKLQEFHXOF-RNCFNFMXSA-N -1 0 316.379 -0.442 20 0 DBADRM CCN1C[C@H](C)N(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H]1C ZINC001349959502 980527122 /nfs/dbraw/zinc/52/71/22/980527122.db2.gz XHVJGZXPPWPCSR-KXNHARMFSA-N -1 0 311.382 -0.093 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001350105975 980539814 /nfs/dbraw/zinc/53/98/14/980539814.db2.gz IHNWUILOIZKDTF-VHSXEESVSA-N -1 0 323.353 -0.642 20 0 DBADRM CC[C@@H](O)CCNC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001595328766 980557025 /nfs/dbraw/zinc/55/70/25/980557025.db2.gz VNLAWHJUPTVZQP-SECBINFHSA-N -1 0 312.326 -0.508 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCCCCC(=O)[O-])S(C)(=O)=O ZINC001350332609 980560942 /nfs/dbraw/zinc/56/09/42/980560942.db2.gz SOJYSVINDMGRNK-SECBINFHSA-N -1 0 322.383 -0.703 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N(OC)[C@H](C)CC(=O)[O-])nn1 ZINC001595331377 980570676 /nfs/dbraw/zinc/57/06/76/980570676.db2.gz CKKWCQNJZTXGQA-BDAKNGLRSA-N -1 0 300.315 -0.084 20 0 DBADRM CN1CC[C@](C)(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)C1=O ZINC001350429059 980571266 /nfs/dbraw/zinc/57/12/66/980571266.db2.gz NFUIHOUTFOLFGJ-HZMBPMFUSA-N -1 0 306.370 -0.151 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1(C)CC(F)(F)C1 ZINC001350485257 980575477 /nfs/dbraw/zinc/57/54/77/980575477.db2.gz KFSMZOFMGGQMAF-UHFFFAOYSA-N -1 0 307.297 -0.278 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)/C=C(\C)CN2CCOCC2)C1 ZINC001350778742 980602698 /nfs/dbraw/zinc/60/26/98/980602698.db2.gz PWHGCEUYIXPOQJ-SAAWKEMMSA-N -1 0 312.366 -0.033 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)CC1 ZINC001350802171 980604907 /nfs/dbraw/zinc/60/49/07/980604907.db2.gz ZUZVKFUYMXJNBJ-UHFFFAOYSA-N -1 0 316.379 -0.122 20 0 DBADRM O=C(CC1CC1)NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[nH]1 ZINC001489070669 1014671138 /nfs/dbraw/zinc/67/11/38/1014671138.db2.gz FJVVWFXNLVIWFR-NSHDSACASA-N -1 0 319.365 -0.423 20 0 DBADRM CC[C@@H](OC(=O)CNS(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC001595340282 980617636 /nfs/dbraw/zinc/61/76/36/980617636.db2.gz NCUIZOANSLOINZ-MRVPVSSYSA-N -1 0 320.323 -0.024 20 0 DBADRM CCC(=O)NCc1nc(CN[C@@H](C)C(=O)NC2CC2)cc(=O)[nH]1 ZINC001489071247 1014671316 /nfs/dbraw/zinc/67/13/16/1014671316.db2.gz UXUNAVPUKODNCV-VIFPVBQESA-N -1 0 321.381 -0.035 20 0 DBADRM O=C(NCCOC[C@H]1CCOC1)c1c[n-]n2c1nccc2=O ZINC001351206188 980632259 /nfs/dbraw/zinc/63/22/59/980632259.db2.gz PKGQAUZOOSZUIY-JTQLQIEISA-N -1 0 306.322 -0.195 20 0 DBADRM O=C(NCCOC[C@@H]1CCOC1)c1c[n-]n2c1nccc2=O ZINC001351206189 980632608 /nfs/dbraw/zinc/63/26/08/980632608.db2.gz PKGQAUZOOSZUIY-SNVBAGLBSA-N -1 0 306.322 -0.195 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001351200598 980632858 /nfs/dbraw/zinc/63/28/58/980632858.db2.gz ZSOBYSJZJWEKQS-IUCAKERBSA-N -1 0 311.342 -0.690 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC001351361814 980645004 /nfs/dbraw/zinc/64/50/04/980645004.db2.gz BZZBYIPULVFYJK-GFCCVEGCSA-N -1 0 320.349 -0.917 20 0 DBADRM CNC(=O)CC(=O)N(C)CCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001351384799 980646953 /nfs/dbraw/zinc/64/69/53/980646953.db2.gz MOZHLYXCVODYOH-UHFFFAOYSA-N -1 0 311.342 -0.862 20 0 DBADRM CC1(F)CN(C(=O)C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001351734299 980686324 /nfs/dbraw/zinc/68/63/24/980686324.db2.gz COXIEKLSXLSYPT-VIFPVBQESA-N -1 0 323.328 -0.553 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)[C@H](O)C(C)C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001489114423 1014682425 /nfs/dbraw/zinc/68/24/25/1014682425.db2.gz QGMVGQOFSSCPDJ-HOSYDEDBSA-N -1 0 311.386 -0.004 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCOCC2(CCCC2)C1 ZINC001352610020 980735372 /nfs/dbraw/zinc/73/53/72/980735372.db2.gz SKIROUGIHWLYMG-UHFFFAOYSA-N -1 0 310.358 -0.252 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N(C)CCOC(C)(C)C ZINC001352642931 980736465 /nfs/dbraw/zinc/73/64/65/980736465.db2.gz VOJDGZKVJWVMOH-UHFFFAOYSA-N -1 0 300.363 -0.008 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])CC1=O ZINC001596403124 1017139681 /nfs/dbraw/zinc/13/96/81/1017139681.db2.gz UZXSFNZZLDNTLT-RQJHMYQMSA-N -1 0 314.310 -0.365 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1nn(C)c(C)c1Br ZINC001352886055 980759860 /nfs/dbraw/zinc/75/98/60/980759860.db2.gz FXMQZHYGRJUMDW-UHFFFAOYSA-N -1 0 305.132 -0.102 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)NC[C@@H](C)SC ZINC001352906771 980760396 /nfs/dbraw/zinc/76/03/96/980760396.db2.gz BVLDYFXUIUOOJB-SECBINFHSA-N -1 0 306.384 -0.196 20 0 DBADRM CCN1CC[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001596415884 1017139708 /nfs/dbraw/zinc/13/97/08/1017139708.db2.gz WZFSTBSMYHGGSL-UWVGGRQHSA-N -1 0 304.368 -0.819 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)NCCOCC2CCC2)CC1 ZINC001353005492 980769222 /nfs/dbraw/zinc/76/92/22/980769222.db2.gz SKVDIMQMJXVMEF-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001353165699 980785671 /nfs/dbraw/zinc/78/56/71/980785671.db2.gz LUUAQEWKYIVPJG-ANRVEHPFSA-N -1 0 323.353 -0.334 20 0 DBADRM O=C(NCCN1CCSCC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001353216397 980791049 /nfs/dbraw/zinc/79/10/49/980791049.db2.gz REZPQXIZXDJDQU-AOOOYVTPSA-N -1 0 315.395 -0.869 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCO[C@@H](C(F)F)C1 ZINC001353217908 980791633 /nfs/dbraw/zinc/79/16/33/980791633.db2.gz OGVVRDQBRDMMKK-MRVPVSSYSA-N -1 0 308.281 -0.150 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H](CO)CN2CCOCC2)CCCC1 ZINC001354081007 980832063 /nfs/dbraw/zinc/83/20/63/980832063.db2.gz LMOMXFSUELNDGD-LLVKDONJSA-N -1 0 300.355 -0.559 20 0 DBADRM C[C@H](CNC(=O)C[C@H]1C=CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001354236826 980838566 /nfs/dbraw/zinc/83/85/66/980838566.db2.gz SMUPZXPWYDGBDL-BDAKNGLRSA-N -1 0 321.337 -0.126 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCN(CCOC)CC1)C(=O)[O-] ZINC001354272119 980841398 /nfs/dbraw/zinc/84/13/98/980841398.db2.gz ZUCMOAZURMXNDX-NSHDSACASA-N -1 0 315.370 -0.996 20 0 DBADRM CNC(=O)C1(C(=O)N[C@H](C)CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001354345380 980845967 /nfs/dbraw/zinc/84/59/67/980845967.db2.gz WWHPTHFYBKDNRY-SSDOTTSWSA-N -1 0 323.353 -0.816 20 0 DBADRM CCc1cccc2c1N(C(=O)C(=O)NCC(=O)[N-]OC)CC2 ZINC001354596149 980861427 /nfs/dbraw/zinc/86/14/27/980861427.db2.gz RDNZQXNMRRMCOO-UHFFFAOYSA-N -1 0 305.334 -0.068 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC001354611778 980862197 /nfs/dbraw/zinc/86/21/97/980862197.db2.gz WRUDJAURJPAGFB-CYBMUJFWSA-N -1 0 319.361 -0.082 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC2(CCCC2)OC[C@@H]1C ZINC001354966827 980881114 /nfs/dbraw/zinc/88/11/14/980881114.db2.gz ICEVAMMOVHNSRE-JTQLQIEISA-N -1 0 313.354 -0.660 20 0 DBADRM O=C([N-]OCCC(F)(F)F)C(=O)NCCO[C@@H]1CCOC1 ZINC001354979659 980882261 /nfs/dbraw/zinc/88/22/61/980882261.db2.gz SXBNQKOHLVCCBE-MRVPVSSYSA-N -1 0 314.260 -0.092 20 0 DBADRM C/C=C(/C)C(=O)NCC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001355112042 980887681 /nfs/dbraw/zinc/88/76/81/980887681.db2.gz BUFBOWYYKPKEIS-USYJTPIQSA-N -1 0 311.342 -0.334 20 0 DBADRM CN(CCNC(=O)C=C1CCC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001355543427 980899344 /nfs/dbraw/zinc/89/93/44/980899344.db2.gz SQOGHFHUUWKTDH-UHFFFAOYSA-N -1 0 320.349 -0.216 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCO[C@@]2(CCSC2)C1 ZINC001355893263 980915460 /nfs/dbraw/zinc/91/54/60/980915460.db2.gz CGHHAUKRVVDDLA-NSHDSACASA-N -1 0 314.371 -0.937 20 0 DBADRM CC[C@H](CNC(=O)C1CC=CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001356875453 981004903 /nfs/dbraw/zinc/00/49/03/981004903.db2.gz QPZQWMBHYOBHRZ-SECBINFHSA-N -1 0 321.337 -0.126 20 0 DBADRM CC/C(C)=C\C(=O)NC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001357794027 981092630 /nfs/dbraw/zinc/09/26/30/981092630.db2.gz RVWQAHPJTZYKTI-BXPWTJTASA-N -1 0 323.353 -0.166 20 0 DBADRM C[C@H](CNC(=O)C(C)(C)C)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001358270926 981121088 /nfs/dbraw/zinc/12/10/88/981121088.db2.gz VUOLLMJZCBHEJQ-SNVBAGLBSA-N -1 0 324.381 -0.406 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1C(=O)C=C1CCC1 ZINC001358626422 981154395 /nfs/dbraw/zinc/15/43/95/981154395.db2.gz NBDDRGKGCFXBPZ-SNVBAGLBSA-N -1 0 321.337 -0.483 20 0 DBADRM O=C(/C=C/C1CC1)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001358678773 981168513 /nfs/dbraw/zinc/16/85/13/981168513.db2.gz CQVUIWVQSLZIHG-ONEGZZNKSA-N -1 0 319.321 -0.372 20 0 DBADRM C/C=C(\C)C(=O)N(C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001358725171 981177816 /nfs/dbraw/zinc/17/78/16/981177816.db2.gz RMKUQXAHIRRPAH-WEVVVXLNSA-N -1 0 320.349 -0.265 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001361573975 981263542 /nfs/dbraw/zinc/26/35/42/981263542.db2.gz QSZXPADMYZIKDO-SFYZADRCSA-N -1 0 320.275 -0.411 20 0 DBADRM CO[C@H]1COCC[C@H]1N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001361609431 981273515 /nfs/dbraw/zinc/27/35/15/981273515.db2.gz KZAMWCNXNVMCBC-MNOVXSKESA-N -1 0 321.337 -0.667 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC(NS(C)(=O)=O)CC2)c1[O-] ZINC001361625092 981277628 /nfs/dbraw/zinc/27/76/28/981277628.db2.gz DJVXMGBNDUHXAQ-UHFFFAOYSA-N -1 0 302.356 -0.422 20 0 DBADRM COc1cc(CNC(=O)CCc2nnn[n-]2)ccc1OCCO ZINC001361666583 981293700 /nfs/dbraw/zinc/29/37/00/981293700.db2.gz OZEHWMZKFLXOBB-UHFFFAOYSA-N -1 0 321.337 -0.172 20 0 DBADRM Cn1cc(Cl)c(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001361673474 981294940 /nfs/dbraw/zinc/29/49/40/981294940.db2.gz JJDPSVSFPKRLOW-UHFFFAOYSA-N -1 0 321.728 -0.226 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCC(=O)N1CCCCCC1 ZINC001361695126 981299174 /nfs/dbraw/zinc/29/91/74/981299174.db2.gz VJUYBNPMDMNXNR-UHFFFAOYSA-N -1 0 311.342 -0.402 20 0 DBADRM COC(=O)[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1cccs1 ZINC001361703357 981301659 /nfs/dbraw/zinc/30/16/59/981301659.db2.gz WRMZAPIJSOYGJN-ZCFIWIBFSA-N -1 0 310.291 -0.012 20 0 DBADRM CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)CCc1nnn[n-]1 ZINC001361708962 981302596 /nfs/dbraw/zinc/30/25/96/981302596.db2.gz XCHNORNOAWZDBK-MRVPVSSYSA-N -1 0 312.399 -0.052 20 0 DBADRM CNC(=O)c1nn[n-]c1NC(=O)c1cccn(C2CC2)c1=O ZINC001361721759 981305570 /nfs/dbraw/zinc/30/55/70/981305570.db2.gz HNYCYHDOIWGROK-UHFFFAOYSA-N -1 0 302.294 -0.087 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1CCO[C@@H](c3nnn[n-]3)C1)CC2 ZINC001361779642 981320042 /nfs/dbraw/zinc/32/00/42/981320042.db2.gz AVAVWIJGPSBDHG-GZMMTYOYSA-N -1 0 318.341 -0.967 20 0 DBADRM COCc1nn(C)cc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001361781518 981322035 /nfs/dbraw/zinc/32/20/35/981322035.db2.gz FVIGSIZLWJTLNI-SNVBAGLBSA-N -1 0 307.314 -0.707 20 0 DBADRM O=C([C@@H]1CCCC12OCCO2)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001361783021 981322372 /nfs/dbraw/zinc/32/23/72/981322372.db2.gz JXXPAPOPNPJHGJ-UWVGGRQHSA-N -1 0 309.326 -0.357 20 0 DBADRM COCc1nn(C)cc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001361781516 981322465 /nfs/dbraw/zinc/32/24/65/981322465.db2.gz FVIGSIZLWJTLNI-JTQLQIEISA-N -1 0 307.314 -0.707 20 0 DBADRM Cc1ncc2c(n1)CC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001361790738 981324472 /nfs/dbraw/zinc/32/44/72/981324472.db2.gz DJHRCHLPGFNAEC-VIFPVBQESA-N -1 0 304.310 -0.539 20 0 DBADRM CN(Cc1nccn1C(F)F)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001361849775 981340375 /nfs/dbraw/zinc/34/03/75/981340375.db2.gz ZZDGQNNRJCEJNP-UHFFFAOYSA-N -1 0 302.241 -0.061 20 0 DBADRM CCCNC(=O)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001361866567 981345245 /nfs/dbraw/zinc/34/52/45/981345245.db2.gz DVUWJJJQGJHMMT-UHFFFAOYSA-N -1 0 303.326 -0.669 20 0 DBADRM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001361870819 981346105 /nfs/dbraw/zinc/34/61/05/981346105.db2.gz NYJGJWSESSYVGN-BDAKNGLRSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(Nc1ccc(OCc2nnn[n-]2)cc1)[C@]1(O)CCOC1 ZINC001361874170 981346153 /nfs/dbraw/zinc/34/61/53/981346153.db2.gz ZFDFTLKNIHYULY-ZDUSSCGKSA-N -1 0 305.294 -0.131 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC001361879414 981347343 /nfs/dbraw/zinc/34/73/43/981347343.db2.gz NFTJYOIXPAWTTG-UHFFFAOYSA-N -1 0 322.325 -0.744 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)NCC(F)(F)F ZINC001361883526 981349049 /nfs/dbraw/zinc/34/90/49/981349049.db2.gz FKRCHJPUWGZXJX-VKHMYHEASA-N -1 0 309.204 -0.920 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001361901167 981354063 /nfs/dbraw/zinc/35/40/63/981354063.db2.gz HQTUTRFXGRJWRY-HTQZYQBOSA-N -1 0 318.355 -0.839 20 0 DBADRM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)c1nnn[n-]1 ZINC001361907679 981355730 /nfs/dbraw/zinc/35/57/30/981355730.db2.gz SIKWESXPJCZJNR-SECBINFHSA-N -1 0 316.387 -0.243 20 0 DBADRM CN(C(=O)c1cc(=O)n(C)cc1Br)c1nnn[n-]1 ZINC001361908655 981356560 /nfs/dbraw/zinc/35/65/60/981356560.db2.gz YDGXBMOKSAAVIB-UHFFFAOYSA-N -1 0 313.115 -0.063 20 0 DBADRM O=C(c1cc2n(n1)CCCC2)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001361924402 981361983 /nfs/dbraw/zinc/36/19/83/981361983.db2.gz NDDYPVUPMSNJET-NSHDSACASA-N -1 0 303.326 -0.054 20 0 DBADRM CCOC(=O)CN(CC)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001361926938 981362494 /nfs/dbraw/zinc/36/24/94/981362494.db2.gz PKVDNPFTGQRTQV-UHFFFAOYSA-N -1 0 300.315 -0.119 20 0 DBADRM C[C@]1(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCNC1=O ZINC001361932932 981365293 /nfs/dbraw/zinc/36/52/93/981365293.db2.gz BHNLMYKFDBNNJO-LBPRGKRZSA-N -1 0 312.351 -0.539 20 0 DBADRM C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccnn1C ZINC001361934159 981365393 /nfs/dbraw/zinc/36/53/93/981365393.db2.gz ATGSVCXRXYFWDI-QMMMGPOBSA-N -1 0 301.310 -0.318 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)CSc2n[nH]c(=O)[n-]2)cn1 ZINC001361940264 981366899 /nfs/dbraw/zinc/36/68/99/981366899.db2.gz JBXKVVSJKPSTLW-UHFFFAOYSA-N -1 0 311.327 -0.816 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001361956568 981371829 /nfs/dbraw/zinc/37/18/29/981371829.db2.gz KHFQZGCESHAWCV-UHFFFAOYSA-N -1 0 318.337 -0.305 20 0 DBADRM NC(=O)N1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001361993521 981383070 /nfs/dbraw/zinc/38/30/70/981383070.db2.gz GZSWMPWYQXMXTR-UHFFFAOYSA-N -1 0 300.344 -0.785 20 0 DBADRM COC(=O)[C@@H](C)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362011441 981385474 /nfs/dbraw/zinc/38/54/74/981385474.db2.gz QOJFFGKWSGIKFY-QMMMGPOBSA-N -1 0 320.305 -0.195 20 0 DBADRM CN1CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1=O ZINC001362009964 981385911 /nfs/dbraw/zinc/38/59/11/981385911.db2.gz WWUDULONKNCLER-UHFFFAOYSA-N -1 0 317.305 -0.820 20 0 DBADRM CC(C)NC(=O)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362017832 981387921 /nfs/dbraw/zinc/38/79/21/981387921.db2.gz IDULRUCTAOUTJA-UHFFFAOYSA-N -1 0 303.326 -0.671 20 0 DBADRM NC(=O)NC1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001362022439 981389243 /nfs/dbraw/zinc/38/92/43/981389243.db2.gz MFPRMJVXDDINAW-UHFFFAOYSA-N -1 0 300.344 -0.738 20 0 DBADRM Cn1[n-]c(C(=O)Nc2cccc(NS(N)(=O)=O)c2)cc1=O ZINC001362030542 981392010 /nfs/dbraw/zinc/39/20/10/981392010.db2.gz NCSBENPHTJPRCS-UHFFFAOYSA-N -1 0 311.323 -0.007 20 0 DBADRM COC(=O)[C@@H](CO)NC(=O)c1ncc(Br)cc1[O-] ZINC001362037315 981394439 /nfs/dbraw/zinc/39/44/39/981394439.db2.gz DRMCLNUXSUBYIS-ZCFIWIBFSA-N -1 0 319.111 -0.187 20 0 DBADRM CCN1CC[C@@H]1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001596414321 1017140330 /nfs/dbraw/zinc/14/03/30/1017140330.db2.gz CCCARUTUUDZNHM-IUODEOHRSA-N -1 0 311.382 -0.532 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001362056150 981401421 /nfs/dbraw/zinc/40/14/21/981401421.db2.gz FPNKFWLNHTZWLJ-ZETCQYMHSA-N -1 0 314.323 -0.926 20 0 DBADRM COC(=O)COc1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001362055928 981402118 /nfs/dbraw/zinc/40/21/18/981402118.db2.gz YQAWGRAOEKKPOB-UHFFFAOYSA-N -1 0 322.277 -0.120 20 0 DBADRM O=C([C@H]1CCn2cncc2C1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362059393 981404481 /nfs/dbraw/zinc/40/44/81/981404481.db2.gz GPJQMHSHMGHOCP-GXSJLCMTSA-N -1 0 303.326 -0.441 20 0 DBADRM CCN(CC(=O)NC)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362062750 981405867 /nfs/dbraw/zinc/40/58/67/981405867.db2.gz OEZDSFJKCNIGQP-UHFFFAOYSA-N -1 0 319.321 -0.526 20 0 DBADRM C[C@@H](CC(=O)OC(C)(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362066724 981408200 /nfs/dbraw/zinc/40/82/00/981408200.db2.gz WPMPQEOWVGXREH-ZETCQYMHSA-N -1 0 300.315 -0.074 20 0 DBADRM CCn1cnnc1CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362071651 981409407 /nfs/dbraw/zinc/40/94/07/981409407.db2.gz IBYUJWANXVFGAZ-UHFFFAOYSA-N -1 0 309.330 -0.560 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(CN2CCOCC2)o1 ZINC001362075631 981410895 /nfs/dbraw/zinc/41/08/95/981410895.db2.gz QIRIMTVSAYYVTK-UHFFFAOYSA-N -1 0 307.310 -0.135 20 0 DBADRM Cc1nc(C2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CCCC2)no1 ZINC001362082528 981412369 /nfs/dbraw/zinc/41/23/69/981412369.db2.gz ZVSNTHINXSYPFU-UHFFFAOYSA-N -1 0 308.298 -0.034 20 0 DBADRM O=C(c1cn2c(n1)COCC2)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362086132 981413518 /nfs/dbraw/zinc/41/35/18/981413518.db2.gz AWOZIMDFLLRZNW-SECBINFHSA-N -1 0 305.298 -0.860 20 0 DBADRM C[C@H](CCNC(=O)CCCn1c(=O)[n-][nH]c1=O)[S@@](C)=O ZINC001362086092 981414007 /nfs/dbraw/zinc/41/40/07/981414007.db2.gz XRRLYAWKDDZGRE-ZPWHCFADSA-N -1 0 304.372 -0.257 20 0 DBADRM CCN(C(=O)CCCc1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC001362087790 981415267 /nfs/dbraw/zinc/41/52/67/981415267.db2.gz VXLDNKONNNNNKQ-SECBINFHSA-N -1 0 301.372 -0.442 20 0 DBADRM COC(=O)[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1 ZINC001362110047 981424746 /nfs/dbraw/zinc/42/47/46/981424746.db2.gz IYMBOHHRFXPDRC-JTQLQIEISA-N -1 0 320.305 -0.238 20 0 DBADRM CCN(CC(=O)OC)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362115512 981425624 /nfs/dbraw/zinc/42/56/24/981425624.db2.gz BCOQFIGDRDBEHC-UHFFFAOYSA-N -1 0 304.310 -0.290 20 0 DBADRM COc1cc(CO)ccc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362120931 981427392 /nfs/dbraw/zinc/42/73/92/981427392.db2.gz AYRMTDAQMIXKLM-GFCCVEGCSA-N -1 0 319.321 -0.086 20 0 DBADRM CCCN1C[C@@H](C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CC1=O ZINC001362124752 981428590 /nfs/dbraw/zinc/42/85/90/981428590.db2.gz OGILPEFBBWFPET-UWVGGRQHSA-N -1 0 308.342 -0.642 20 0 DBADRM CCCN1C[C@H](C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CC1=O ZINC001362124757 981429539 /nfs/dbraw/zinc/42/95/39/981429539.db2.gz OGILPEFBBWFPET-ZJUUUORDSA-N -1 0 308.342 -0.642 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001362128874 981430281 /nfs/dbraw/zinc/43/02/81/981430281.db2.gz CNZRXGVUSFOFQC-QMMMGPOBSA-N -1 0 312.351 -0.472 20 0 DBADRM CC(C)COC[C@H](O)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362131837 981432907 /nfs/dbraw/zinc/43/29/07/981432907.db2.gz VAPGZBBGIWJXKE-SNVBAGLBSA-N -1 0 316.358 -0.381 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC001362137681 981436122 /nfs/dbraw/zinc/43/61/22/981436122.db2.gz JLKKKYZHXZBPDE-LURJTMIESA-N -1 0 306.248 -0.588 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C(=O)CCc1nnn[n-]1)C1CC1 ZINC001362145257 981437266 /nfs/dbraw/zinc/43/72/66/981437266.db2.gz CEFCSRIMSTZDCX-QMMMGPOBSA-N -1 0 301.372 -0.444 20 0 DBADRM COC[C@@](C)(NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)OC ZINC001362141348 981437591 /nfs/dbraw/zinc/43/75/91/981437591.db2.gz URNVIZNBHLQHGR-GFCCVEGCSA-N -1 0 316.314 -0.836 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C(=O)CCc1nnn[n-]1)C1CC1 ZINC001362145028 981437709 /nfs/dbraw/zinc/43/77/09/981437709.db2.gz CEFCSRIMSTZDCX-MRVPVSSYSA-N -1 0 301.372 -0.444 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC(=O)N(Cc2ccccc2)C1 ZINC001362156519 981441821 /nfs/dbraw/zinc/44/18/21/981441821.db2.gz QFUHXQRNVLGWPR-UHFFFAOYSA-N -1 0 315.289 -0.275 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)CCCc3nnn[n-]3)C2)cn1 ZINC001362163909 981445681 /nfs/dbraw/zinc/44/56/81/981445681.db2.gz CZBWLPIPJBCLMH-SNVBAGLBSA-N -1 0 304.358 -0.349 20 0 DBADRM C[C@@H](CC[S@](C)=O)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362171769 981448865 /nfs/dbraw/zinc/44/88/65/981448865.db2.gz IEKYXBIJIHYJCD-AUADJRAKSA-N -1 0 322.394 -0.038 20 0 DBADRM O=C(CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1cccc(F)c1 ZINC001362180487 981451965 /nfs/dbraw/zinc/45/19/65/981451965.db2.gz RDRDLRAXBTZHRS-UHFFFAOYSA-N -1 0 307.241 -0.210 20 0 DBADRM CN(C(=O)CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCCCC1 ZINC001362191722 981454857 /nfs/dbraw/zinc/45/48/57/981454857.db2.gz KBXVGPBSIXBKSK-UHFFFAOYSA-N -1 0 309.326 -0.196 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1=O ZINC001362200862 981457423 /nfs/dbraw/zinc/45/74/23/981457423.db2.gz AFPWBYIFNBWEKT-VIFPVBQESA-N -1 0 311.342 -0.405 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@H](C(=O)NCc2nc(=O)o[n-]2)C1 ZINC001362198407 981458097 /nfs/dbraw/zinc/45/80/97/981458097.db2.gz HQVINDXPTNATGS-VIFPVBQESA-N -1 0 306.282 -0.786 20 0 DBADRM CCC[C@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)c1nnn[n-]1 ZINC001362202419 981460162 /nfs/dbraw/zinc/46/01/62/981460162.db2.gz CVBMZLHKPKQBCC-VIFPVBQESA-N -1 0 313.383 -0.018 20 0 DBADRM O=C(c1cn([C@@H]2CC[C@H]2O)nn1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362209414 981461886 /nfs/dbraw/zinc/46/18/86/981461886.db2.gz PECZDPDMKSTTBZ-FBIMIBRVSA-N -1 0 318.341 -0.493 20 0 DBADRM CCC[C@H](NC(=O)c1cc(C(=O)OC)nn1C)c1nnn[n-]1 ZINC001362212529 981464072 /nfs/dbraw/zinc/46/40/72/981464072.db2.gz YITRGUZOLFMWEI-ZETCQYMHSA-N -1 0 307.314 -0.009 20 0 DBADRM Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCc1nnn[n-]1 ZINC001362238071 981477124 /nfs/dbraw/zinc/47/71/24/981477124.db2.gz QLCALBVOQBAQEI-UHFFFAOYSA-N -1 0 324.366 -0.312 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](O)COc1ccccc1 ZINC001362244513 981477768 /nfs/dbraw/zinc/47/77/68/981477768.db2.gz JUITWWPHADPYBO-VIFPVBQESA-N -1 0 308.294 -0.755 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC001362253174 981483833 /nfs/dbraw/zinc/48/38/33/981483833.db2.gz OSIQODQEUOSLAY-PRHODGIISA-N -1 0 314.367 -0.140 20 0 DBADRM O=C(CCc1nnn[n-]1)NCc1n[nH]cc1Br ZINC001362260119 981487030 /nfs/dbraw/zinc/48/70/30/981487030.db2.gz LIRZXKWWKDOXIG-UHFFFAOYSA-N -1 0 300.120 -0.066 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)Nc1ccccc1 ZINC001362273658 981492846 /nfs/dbraw/zinc/49/28/46/981492846.db2.gz YICUMHRNDWMOEB-QMMMGPOBSA-N -1 0 305.294 -0.167 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)Nc1ccccc1 ZINC001362273657 981493101 /nfs/dbraw/zinc/49/31/01/981493101.db2.gz YICUMHRNDWMOEB-MRVPVSSYSA-N -1 0 305.294 -0.167 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCN2C(=O)CC[C@H]2C1 ZINC001362300711 981503769 /nfs/dbraw/zinc/50/37/69/981503769.db2.gz NIZYLCWOHGTBIO-VIFPVBQESA-N -1 0 301.306 -0.531 20 0 DBADRM COCCn1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)nn1 ZINC001362312263 981508760 /nfs/dbraw/zinc/50/87/60/981508760.db2.gz NXRZDGAPAURBRI-VIFPVBQESA-N -1 0 306.330 -0.543 20 0 DBADRM C[C@H](O)C[C@@H]1COCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362325485 981515001 /nfs/dbraw/zinc/51/50/01/981515001.db2.gz MQOMZJSPKIJYSM-VHSXEESVSA-N -1 0 314.342 -0.532 20 0 DBADRM CC1(C)C[C@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C(=O)O1 ZINC001362324578 981515132 /nfs/dbraw/zinc/51/51/32/981515132.db2.gz DNKPLUDVRYANKJ-JTQLQIEISA-N -1 0 316.321 -0.101 20 0 DBADRM O=C(NC1(C(=O)NCC2CC2)CCCC1)c1n[nH]c(=O)[n-]c1=O ZINC001362329667 981516854 /nfs/dbraw/zinc/51/68/54/981516854.db2.gz GNZSLQNXSHCOHC-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cncnc1C1CC1 ZINC001362333931 981517710 /nfs/dbraw/zinc/51/77/10/981517710.db2.gz LQIREWPBBLHYLP-UHFFFAOYSA-N -1 0 312.351 -0.450 20 0 DBADRM COc1ccccc1CN(CCO)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362331176 981518225 /nfs/dbraw/zinc/51/82/25/981518225.db2.gz ZRURQJVRBARKLV-UHFFFAOYSA-N -1 0 322.321 -0.281 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCO[C@H](c2ncon2)C1 ZINC001362331329 981518371 /nfs/dbraw/zinc/51/83/71/981518371.db2.gz FXPCDDSRTGFGJS-QMMMGPOBSA-N -1 0 324.297 -0.547 20 0 DBADRM Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)CCc2nnn[n-]2)cn1 ZINC001362335920 981519663 /nfs/dbraw/zinc/51/96/63/981519663.db2.gz PLJXRFBJAAAQHZ-STFLBKPXSA-N -1 0 323.382 -0.802 20 0 DBADRM O=C(NC1CCN([C@H]2CCOC2=O)CC1)c1cc(=O)[nH]cn1 ZINC001362355067 981527838 /nfs/dbraw/zinc/52/78/38/981527838.db2.gz YDXPKMVBMYKSMA-NSHDSACASA-N -1 0 306.322 -0.308 20 0 DBADRM Cn1ccnc1COCC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362359630 981530787 /nfs/dbraw/zinc/53/07/87/981530787.db2.gz URTYWBQSMAURNS-JTQLQIEISA-N -1 0 305.342 -0.144 20 0 DBADRM O=C([C@H]1CCc2nncn2C1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362365105 981532956 /nfs/dbraw/zinc/53/29/56/981532956.db2.gz FUWFUZMHDKJUBA-DTWKUNHWSA-N -1 0 320.382 -0.330 20 0 DBADRM O=C(CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C1CC1 ZINC001362363799 981532972 /nfs/dbraw/zinc/53/29/72/981532972.db2.gz ANXRCODUAZIKIX-UHFFFAOYSA-N -1 0 302.290 -0.025 20 0 DBADRM CN1C[C@@H](NC(=O)c2ncc(Br)cc2[O-])C(=O)N1 ZINC001362369300 981534115 /nfs/dbraw/zinc/53/41/15/981534115.db2.gz KWGGERUDNOFENX-ZCFIWIBFSA-N -1 0 315.127 -0.375 20 0 DBADRM C[C@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1nncn1C ZINC001362369777 981534516 /nfs/dbraw/zinc/53/45/16/981534516.db2.gz JXKUGDBWBJODIW-MRVPVSSYSA-N -1 0 316.325 -0.880 20 0 DBADRM COc1c(C(=O)N2CCSC[C@H]2c2nnn[n-]2)cnn1C ZINC001362371059 981535970 /nfs/dbraw/zinc/53/59/70/981535970.db2.gz XJBIJVUVALHWAN-QMMMGPOBSA-N -1 0 309.355 -0.128 20 0 DBADRM COC(=O)c1ccccc1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362379920 981539257 /nfs/dbraw/zinc/53/92/57/981539257.db2.gz ZFTVDWAQPMXPJS-UHFFFAOYSA-N -1 0 306.278 -0.208 20 0 DBADRM C[C@@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C(=O)NCCF ZINC001362385071 981542042 /nfs/dbraw/zinc/54/20/42/981542042.db2.gz FBPNIVVZZDEUGM-MRVPVSSYSA-N -1 0 321.316 -0.721 20 0 DBADRM O=C(C1=CCS(=O)(=O)C1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001362387898 981543120 /nfs/dbraw/zinc/54/31/20/981543120.db2.gz VNMUGYZYRWOXCD-QMMMGPOBSA-N -1 0 312.351 -0.429 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCO[C@]2(CCOC2)C1 ZINC001362390504 981543309 /nfs/dbraw/zinc/54/33/09/981543309.db2.gz DSYUXPYCDGULTA-CYBMUJFWSA-N -1 0 312.326 -0.513 20 0 DBADRM CC(=O)N[C@H](C(=O)N1CCC(O)(c2nnn[n-]2)CC1)C(C)(C)C ZINC001362387618 981544145 /nfs/dbraw/zinc/54/41/45/981544145.db2.gz LZVLVYVIPGRTDO-SNVBAGLBSA-N -1 0 324.385 -0.440 20 0 DBADRM CC(C)(C)NC(=O)N1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001362397804 981547070 /nfs/dbraw/zinc/54/70/70/981547070.db2.gz YGDZWMUICRFYMR-UHFFFAOYSA-N -1 0 309.374 -0.215 20 0 DBADRM CC1(C)[C@H](O)C[C@@H]1NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362406655 981553504 /nfs/dbraw/zinc/55/35/04/981553504.db2.gz JYCKMVCYVFMBKO-WDEREUQCSA-N -1 0 302.338 -0.036 20 0 DBADRM CCO[C@H]1C[C@@](O)(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1(C)C ZINC001362411643 981556555 /nfs/dbraw/zinc/55/65/55/981556555.db2.gz IYWITYYBKGVJHO-ISVAXAHUSA-N -1 0 314.342 -0.628 20 0 DBADRM NC(=O)C[C@H]1CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001362413248 981557376 /nfs/dbraw/zinc/55/73/76/981557376.db2.gz GSTWUAUWKFFIIW-SECBINFHSA-N -1 0 311.342 -0.417 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H](CO)[C@H]2CCOC2)cc1=O ZINC001362427732 981563574 /nfs/dbraw/zinc/56/35/74/981563574.db2.gz WIYBLBWVDMXKPU-AAEUAGOBSA-N -1 0 311.382 -0.112 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001362427083 981564298 /nfs/dbraw/zinc/56/42/98/981564298.db2.gz RONQGDZEXNYFME-OIBJUYFYSA-N -1 0 311.342 -0.818 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC001362432655 981568076 /nfs/dbraw/zinc/56/80/76/981568076.db2.gz WLLBOICIDJWBCJ-QMMMGPOBSA-N -1 0 311.298 -0.868 20 0 DBADRM O=C([C@H]1CCc2nccn2C1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362438614 981572311 /nfs/dbraw/zinc/57/23/11/981572311.db2.gz UVGZKOZZGUKMTP-JTQLQIEISA-N -1 0 317.353 -0.531 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)c1nnn[n-]1 ZINC001362453459 981578660 /nfs/dbraw/zinc/57/86/60/981578660.db2.gz LTTZOOMJSUGNDZ-KCJUWKMLSA-N -1 0 318.341 -0.312 20 0 DBADRM C[C@H](CN(C)C(=O)[C@]1(C)CCCS1(=O)=O)c1nnn[n-]1 ZINC001362457779 981580605 /nfs/dbraw/zinc/58/06/05/981580605.db2.gz WZURMHUSUDIFKA-KCJUWKMLSA-N -1 0 301.372 -0.271 20 0 DBADRM Cn1nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1Cl ZINC001362466760 981585004 /nfs/dbraw/zinc/58/50/04/981585004.db2.gz JTXIZUKPXHJODZ-UHFFFAOYSA-N -1 0 308.747 -0.731 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCN(c2ncc(F)cn2)CC1 ZINC001362472874 981588772 /nfs/dbraw/zinc/58/87/72/981588772.db2.gz XODYGGKPCNIYRH-UHFFFAOYSA-N -1 0 306.305 -0.590 20 0 DBADRM CC[C@@H](C(=O)NCCc1nc(=O)o[n-]1)N1CCO[C@H](CC)C1 ZINC001362474165 981590421 /nfs/dbraw/zinc/59/04/21/981590421.db2.gz KRTMMLNSVPFGEH-MNOVXSKESA-N -1 0 312.370 -0.089 20 0 DBADRM CCc1nnc(CNC(=O)c2coc(S(=O)(=O)NC)c2)[nH]1 ZINC001362485554 981595249 /nfs/dbraw/zinc/59/52/49/981595249.db2.gz PDVQQUJBBRPHKB-UHFFFAOYSA-N -1 0 313.339 -0.202 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001362491827 981599157 /nfs/dbraw/zinc/59/91/57/981599157.db2.gz YXXRMLYVEVQYJP-ZETCQYMHSA-N -1 0 320.396 -0.362 20 0 DBADRM CCN1CC[C@H](NS(=O)(=O)c2csnc2C(=O)[O-])C1=O ZINC001596410107 1017140581 /nfs/dbraw/zinc/14/05/81/1017140581.db2.gz HRKPYMSODZFSTE-LURJTMIESA-N -1 0 319.364 -0.260 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](OCCO)C1 ZINC001362504401 981605630 /nfs/dbraw/zinc/60/56/30/981605630.db2.gz IFRZLMLYGZGLNK-SNVBAGLBSA-N -1 0 314.342 -0.531 20 0 DBADRM CCN1CC[C@H](N2C(=O)[C@H]3C[C@@H](C(=O)[O-])CCN3C2=O)C1=O ZINC001596409224 1017140609 /nfs/dbraw/zinc/14/06/09/1017140609.db2.gz UXCMYYGUECQTLZ-LPEHRKFASA-N -1 0 309.322 -0.265 20 0 DBADRM CNC(=O)[C@H]1CCC[C@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362506818 981606945 /nfs/dbraw/zinc/60/69/45/981606945.db2.gz YLZFCGTUVQATCX-DTWKUNHWSA-N -1 0 311.342 -0.500 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362506822 981607663 /nfs/dbraw/zinc/60/76/63/981607663.db2.gz YLZFCGTUVQATCX-RKDXNWHRSA-N -1 0 311.342 -0.500 20 0 DBADRM CC[C@H](F)C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001530582070 1014747948 /nfs/dbraw/zinc/74/79/48/1014747948.db2.gz JNDJTWMJJKYWCQ-VIFPVBQESA-N -1 0 312.301 -0.825 20 0 DBADRM CN1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001362509931 981610092 /nfs/dbraw/zinc/61/00/92/981610092.db2.gz WUCBXQJIMZYHPA-SMDDNHRTSA-N -1 0 318.337 -0.239 20 0 DBADRM Cc1nc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)ccc1[C@@H](C)O ZINC001362511933 981610750 /nfs/dbraw/zinc/61/07/50/981610750.db2.gz NUQTUEQAWOZZGS-MRVPVSSYSA-N -1 0 307.310 -0.238 20 0 DBADRM Cc1nc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)ccc1[C@H](C)O ZINC001362511934 981610835 /nfs/dbraw/zinc/61/08/35/981610835.db2.gz NUQTUEQAWOZZGS-QMMMGPOBSA-N -1 0 307.310 -0.238 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCCc2nc(N)n[nH]2)cc1=O ZINC001362515977 981611810 /nfs/dbraw/zinc/61/18/10/981611810.db2.gz OVBXEOHTNXAFHR-UHFFFAOYSA-N -1 0 307.358 -0.566 20 0 DBADRM NC(=O)N1CCC[C@H](CNC(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001362514260 981612857 /nfs/dbraw/zinc/61/28/57/981612857.db2.gz DEYGZEWEEPYSFW-SSDOTTSWSA-N -1 0 314.371 -0.491 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362529191 981628456 /nfs/dbraw/zinc/62/84/56/981628456.db2.gz MMVNUSPIMWIJKC-UHFFFAOYSA-N -1 0 301.372 -0.119 20 0 DBADRM CN(C)C(=O)[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001362552014 981665033 /nfs/dbraw/zinc/66/50/33/981665033.db2.gz QFIOHMQWHLGNTO-VIFPVBQESA-N -1 0 311.342 -0.594 20 0 DBADRM COCC(COC)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001362552177 981665216 /nfs/dbraw/zinc/66/52/16/981665216.db2.gz QTBSLQALTRMQEG-UHFFFAOYSA-N -1 0 312.370 -0.157 20 0 DBADRM O=C(CNCC(F)(F)F)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362560088 981678260 /nfs/dbraw/zinc/67/82/60/981678260.db2.gz GBNBWQMPBLNUPO-UHFFFAOYSA-N -1 0 308.264 -0.838 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)s1 ZINC001362564170 981687400 /nfs/dbraw/zinc/68/74/00/981687400.db2.gz UKLPVGMASOKICH-UHFFFAOYSA-N -1 0 322.350 -0.516 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)CCCc2nnn[n-]2)O1 ZINC001362565283 981690999 /nfs/dbraw/zinc/69/09/99/981690999.db2.gz BRVIDWVMSQPRIS-UWVGGRQHSA-N -1 0 310.358 -0.726 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCS(=O)(=O)C[C@@H]1C1CCC1 ZINC001362573570 981705624 /nfs/dbraw/zinc/70/56/24/981705624.db2.gz WYABUMADVVTFET-SNVBAGLBSA-N -1 0 313.383 -0.442 20 0 DBADRM Cn1cncc1CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001362573764 981706545 /nfs/dbraw/zinc/70/65/45/981706545.db2.gz RVPKMYBNGGQCFQ-UHFFFAOYSA-N -1 0 301.310 -0.836 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)C1CS(=O)(=O)C1 ZINC001362583390 981726831 /nfs/dbraw/zinc/72/68/31/981726831.db2.gz UJZCGPZWNIPOOI-UHFFFAOYSA-N -1 0 309.307 -0.649 20 0 DBADRM Cn1nc(C(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)ccc1=O ZINC001362586487 981727881 /nfs/dbraw/zinc/72/78/81/981727881.db2.gz BKANYVJRBPNQGC-SECBINFHSA-N -1 0 307.310 -0.026 20 0 DBADRM CC(C)(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)S(C)(=O)=O ZINC001362594156 981735723 /nfs/dbraw/zinc/73/57/23/981735723.db2.gz WTYWVKFOQDIXHH-UHFFFAOYSA-N -1 0 306.344 -0.981 20 0 DBADRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cn1ncnn1 ZINC001362613462 981756700 /nfs/dbraw/zinc/75/67/00/981756700.db2.gz PVMSRDGJZJLFSZ-YUMQZZPRSA-N -1 0 320.275 -0.269 20 0 DBADRM C[C@@H](CN(C)C(=O)C1CC2(C1)CS(=O)(=O)C2)c1nnn[n-]1 ZINC001362618079 981763653 /nfs/dbraw/zinc/76/36/53/981763653.db2.gz QAXNBWKQNWPGDP-QMMMGPOBSA-N -1 0 313.383 -0.414 20 0 DBADRM CN(C)C(=O)O[C@@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001362617381 981763957 /nfs/dbraw/zinc/76/39/57/981763957.db2.gz ZTCLONLKCSISAR-SSDOTTSWSA-N -1 0 315.355 -0.099 20 0 DBADRM CCC(CC)(NC(=O)C1(OC)CS(=O)(=O)C1)c1nnn[n-]1 ZINC001362624504 981770504 /nfs/dbraw/zinc/77/05/04/981770504.db2.gz KMOPTBVZHNVFQY-UHFFFAOYSA-N -1 0 317.371 -0.855 20 0 DBADRM Cn1ccc(=NC(=O)c2cnc3n(c2=O)CCS3)nc1[O-] ZINC001362630911 981776247 /nfs/dbraw/zinc/77/62/47/981776247.db2.gz AFVNJSKZQYBLEX-UHFFFAOYSA-N -1 0 305.319 -0.471 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[C@H](C)[S@](=O)CC1 ZINC001362641445 981788956 /nfs/dbraw/zinc/78/89/56/981788956.db2.gz CDEHDLQAOSJEMA-MWAODPMSSA-N -1 0 315.351 -0.121 20 0 DBADRM Cc1nccnc1CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362645206 981790210 /nfs/dbraw/zinc/79/02/10/981790210.db2.gz DDGPBDCRMXYGED-UHFFFAOYSA-N -1 0 306.326 -0.073 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC001362645348 981791505 /nfs/dbraw/zinc/79/15/05/981791505.db2.gz RNUIQVNVQZYUKN-XINAWCOVSA-N -1 0 308.216 -0.189 20 0 DBADRM Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2c[n-]ncc2=O)cn1 ZINC001362644119 981792390 /nfs/dbraw/zinc/79/23/90/981792390.db2.gz KAXWYIFVQHGKQX-SAHAZLINSA-N -1 0 321.362 -0.139 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H](CO)CC(F)F ZINC001362647966 981794022 /nfs/dbraw/zinc/79/40/22/981794022.db2.gz HNWONLOHZJDJNN-ZCFIWIBFSA-N -1 0 301.253 -0.797 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H](CO)CC(F)F ZINC001362647952 981795147 /nfs/dbraw/zinc/79/51/47/981795147.db2.gz HNWONLOHZJDJNN-LURJTMIESA-N -1 0 301.253 -0.797 20 0 DBADRM CC(C)[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccnn1C ZINC001362656361 981801304 /nfs/dbraw/zinc/80/13/04/981801304.db2.gz GRNNYOZEQOYLOX-VIFPVBQESA-N -1 0 308.342 -0.021 20 0 DBADRM CN(C)[C@@]1(C(=O)Nn2c(=O)[n-][nH]c2=O)COc2ccccc2C1 ZINC001362658314 981802973 /nfs/dbraw/zinc/80/29/73/981802973.db2.gz SWHHCOPAJOTDQP-CQSZACIVSA-N -1 0 319.321 -0.305 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC001362659175 981803884 /nfs/dbraw/zinc/80/38/84/981803884.db2.gz ZBRQXJCGLIVDGJ-SNVBAGLBSA-N -1 0 321.341 -0.390 20 0 DBADRM CCCN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C(C)(C)C1=O ZINC001362659590 981804161 /nfs/dbraw/zinc/80/41/61/981804161.db2.gz DTICXTJACPHDND-UHFFFAOYSA-N -1 0 311.342 -0.451 20 0 DBADRM Cc1ncc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)c(N)n1 ZINC001362674981 981811701 /nfs/dbraw/zinc/81/17/01/981811701.db2.gz UMKUZHXYNQACKW-QMMMGPOBSA-N -1 0 306.355 -0.189 20 0 DBADRM Cc1cc(N2CCC(NC(=O)CCc3nnn[n-]3)CC2)n[nH]1 ZINC001362677710 981813584 /nfs/dbraw/zinc/81/35/84/981813584.db2.gz CRFYCMJCPIVKII-UHFFFAOYSA-N -1 0 304.358 -0.051 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1C[C@H](O)C2(CC2)C1 ZINC001362684798 981815935 /nfs/dbraw/zinc/81/59/35/981815935.db2.gz HYAAISSSQLNEOT-NSHDSACASA-N -1 0 316.317 -0.137 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCC[C@H](c3nnn[n-]3)C2)O1 ZINC001362687323 981817627 /nfs/dbraw/zinc/81/76/27/981817627.db2.gz KLQVUOFSYWBCHE-AXFHLTTASA-N -1 0 322.369 -0.281 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC2(COC(=O)N2)CC1 ZINC001362687458 981817725 /nfs/dbraw/zinc/81/77/25/981817725.db2.gz NHXATSUCMGONAX-UHFFFAOYSA-N -1 0 313.339 -0.297 20 0 DBADRM COC(=O)c1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)nc1 ZINC001362704328 981832508 /nfs/dbraw/zinc/83/25/08/981832508.db2.gz UTKDBUJFIUYUQR-UHFFFAOYSA-N -1 0 307.266 -0.813 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2s[n-]c(=O)c2Cl)C[C@H]1C(N)=O ZINC001362714915 981840956 /nfs/dbraw/zinc/84/09/56/981840956.db2.gz ZXVSEKLYNKQMJI-ZXZARUISSA-N -1 0 318.742 -0.839 20 0 DBADRM C[S@](=O)C1(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001362714531 981841357 /nfs/dbraw/zinc/84/13/57/981841357.db2.gz BPQYUFXDYLVOPW-FQEVSTJZSA-N -1 0 302.356 -0.503 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2c[n-]ncc2=O)C1 ZINC001362717959 981844595 /nfs/dbraw/zinc/84/45/95/981844595.db2.gz OQBNJMWJGYVMDQ-MRVPVSSYSA-N -1 0 300.340 -0.677 20 0 DBADRM CCn1ncc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c1C ZINC001362725551 981849431 /nfs/dbraw/zinc/84/94/31/981849431.db2.gz NDLOXKTXAINAIO-UHFFFAOYSA-N -1 0 305.342 -0.152 20 0 DBADRM COCc1nc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cs1 ZINC001362733279 981855139 /nfs/dbraw/zinc/85/51/39/981855139.db2.gz WCRWHXQRXNFRQF-UHFFFAOYSA-N -1 0 324.366 -0.074 20 0 DBADRM COC[C@@]1(C)CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CCO1 ZINC001362753363 981866352 /nfs/dbraw/zinc/86/63/52/981866352.db2.gz LXIKBVLBDDAUDG-CYBMUJFWSA-N -1 0 314.342 -0.267 20 0 DBADRM O=C(C[C@H]1CCCS1(=O)=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001362760416 981871383 /nfs/dbraw/zinc/87/13/83/981871383.db2.gz KPZNGYVUPXABII-BDAKNGLRSA-N -1 0 315.355 -0.933 20 0 DBADRM O=C(C[C@@H]1CCCS1(=O)=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001362760418 981871576 /nfs/dbraw/zinc/87/15/76/981871576.db2.gz KPZNGYVUPXABII-IUCAKERBSA-N -1 0 315.355 -0.933 20 0 DBADRM CC(C)(CCNC(=O)CSc1n[nH]c(=O)[n-]1)S(C)(=O)=O ZINC001362762984 981873278 /nfs/dbraw/zinc/87/32/78/981873278.db2.gz RYJGWDJGHGVYHP-UHFFFAOYSA-N -1 0 322.412 -0.068 20 0 DBADRM COC1([C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)CCOCC1 ZINC001362779530 981882699 /nfs/dbraw/zinc/88/26/99/981882699.db2.gz NENBGEDWLRQDQM-QMMMGPOBSA-N -1 0 300.315 -0.610 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001362782456 981883635 /nfs/dbraw/zinc/88/36/35/981883635.db2.gz DVDNVUXCZOHMPQ-JGVFFNPUSA-N -1 0 312.288 -0.355 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC[C@@H](O)[C@@H](O)C1 ZINC001362785609 981885550 /nfs/dbraw/zinc/88/55/50/981885550.db2.gz SXZMQWMELBXYLY-BDAKNGLRSA-N -1 0 306.278 -0.996 20 0 DBADRM CCC(CC)(NC(=O)[C@H]1CCS(=O)(=O)C1)c1nnn[n-]1 ZINC001362788441 981887876 /nfs/dbraw/zinc/88/78/76/981887876.db2.gz VSIRZRADZSTSFY-QMMMGPOBSA-N -1 0 301.372 -0.234 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1COCC[C@H]1O ZINC001362797957 981892823 /nfs/dbraw/zinc/89/28/23/981892823.db2.gz BOGYOXLQZVAEMO-VXGBXAGGSA-N -1 0 314.363 -0.062 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001362796726 981892967 /nfs/dbraw/zinc/89/29/67/981892967.db2.gz QIQXGRARDAQZFJ-OCAPTIKFSA-N -1 0 312.326 -0.074 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)CCc2nnn[n-]2)[C@H](C)C1 ZINC001362801195 981895758 /nfs/dbraw/zinc/89/57/58/981895758.db2.gz USASOMNDGSCJGZ-SECBINFHSA-N -1 0 316.387 -0.985 20 0 DBADRM Cc1nc2c(n1CCO)CC[C@@H](NC(=O)CCc1nnn[n-]1)C2 ZINC001362806599 981901712 /nfs/dbraw/zinc/90/17/12/981901712.db2.gz SQTBCEJMPKFBTN-SNVBAGLBSA-N -1 0 319.369 -0.697 20 0 DBADRM COc1nn(C)cc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001362815853 981910247 /nfs/dbraw/zinc/91/02/47/981910247.db2.gz GNWWAGHZOJRDAY-UHFFFAOYSA-N -1 0 303.282 -0.548 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362816908 981912896 /nfs/dbraw/zinc/91/28/96/981912896.db2.gz IPGMNGJXTLFOPG-SECBINFHSA-N -1 0 317.353 -0.329 20 0 DBADRM COC(=O)[C@@H]1CC(F)(F)CN1C(=O)CCCc1nnn[n-]1 ZINC001362823888 981917286 /nfs/dbraw/zinc/91/72/86/981917286.db2.gz FJGYTIQKZVEJCU-ZETCQYMHSA-N -1 0 303.269 -0.068 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001362824287 981918154 /nfs/dbraw/zinc/91/81/54/981918154.db2.gz VDPOGHCMYWIUQE-MRVPVSSYSA-N -1 0 320.371 -0.494 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)c1[O-] ZINC001362831558 981925330 /nfs/dbraw/zinc/92/53/30/981925330.db2.gz LPEZNSFIYLMYDM-IUCAKERBSA-N -1 0 315.351 -0.548 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)c2ccccc21 ZINC001362837823 981929772 /nfs/dbraw/zinc/92/97/72/981929772.db2.gz RLQGAWFSSIMDOK-VIFPVBQESA-N -1 0 318.289 -0.007 20 0 DBADRM COc1cccc(C[C@H](O)C(=O)N(C)Cc2nc(=O)o[n-]2)c1 ZINC001362838766 981930610 /nfs/dbraw/zinc/93/06/10/981930610.db2.gz FEUWULFLUMHQGC-NSHDSACASA-N -1 0 307.306 -0.067 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C ZINC001362839320 981931881 /nfs/dbraw/zinc/93/18/81/981931881.db2.gz GEJXYGXXPHVQBB-SSDOTTSWSA-N -1 0 316.314 -0.793 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001362841099 981931892 /nfs/dbraw/zinc/93/18/92/981931892.db2.gz OEXAWLQFHQNUER-PSVAKVPMSA-N -1 0 315.351 -0.323 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001362839527 981933309 /nfs/dbraw/zinc/93/33/09/981933309.db2.gz HYJKMZDEJHCULY-MRVPVSSYSA-N -1 0 315.351 -0.464 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1c(Br)nnn1C ZINC001362842521 981934704 /nfs/dbraw/zinc/93/47/04/981934704.db2.gz XJIWNKFTFYBEGS-UHFFFAOYSA-N -1 0 317.103 -0.474 20 0 DBADRM Cn1ccnc1[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCO1 ZINC001362849763 981942478 /nfs/dbraw/zinc/94/24/78/981942478.db2.gz UYUARWOVPBJMKX-RKDXNWHRSA-N -1 0 322.325 -0.541 20 0 DBADRM O=C([C@@H]1CCc2nncn2C1)N1CCC(Cc2nn[nH]n2)CC1 ZINC001362849357 981943111 /nfs/dbraw/zinc/94/31/11/981943111.db2.gz RVXZSPCHLZIZKG-LLVKDONJSA-N -1 0 316.369 -0.165 20 0 DBADRM C[C@H]1[C@@H](O)CCN1C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362853999 981944529 /nfs/dbraw/zinc/94/45/29/981944529.db2.gz PFROMNLDYNGFGZ-KWQFWETISA-N -1 0 304.306 -0.139 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC001362865427 981956450 /nfs/dbraw/zinc/95/64/50/981956450.db2.gz BGBPSVBLCQPEBK-SNVBAGLBSA-N -1 0 323.353 -0.307 20 0 DBADRM CN(C)C(=O)C1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCCCC1 ZINC001362871637 981962217 /nfs/dbraw/zinc/96/22/17/981962217.db2.gz XLALGHPJHISGDD-UHFFFAOYSA-N -1 0 309.326 -0.196 20 0 DBADRM C[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)CCS1(=O)=O ZINC001362896499 981979482 /nfs/dbraw/zinc/97/94/82/981979482.db2.gz BLFVIGAXUKVOTI-VIFPVBQESA-N -1 0 324.362 -0.328 20 0 DBADRM O=C([C@@H]1CCNC(=O)CC1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001362901537 981982317 /nfs/dbraw/zinc/98/23/17/981982317.db2.gz BYTVLWSRBIYRAM-MNOVXSKESA-N -1 0 306.370 -0.103 20 0 DBADRM C[C@@H](C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC001530727813 1014786614 /nfs/dbraw/zinc/78/66/14/1014786614.db2.gz QEKHAXSMIKGAGA-SSDOTTSWSA-N -1 0 321.337 -0.483 20 0 DBADRM C[C@H](Cc1cnn(C)c1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001362904063 981985700 /nfs/dbraw/zinc/98/57/00/981985700.db2.gz WMQJQYKXJTZZAI-SECBINFHSA-N -1 0 316.383 -0.819 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)N[C@@H](COC)c2nnn[n-]2)C1 ZINC001362904284 981986155 /nfs/dbraw/zinc/98/61/55/981986155.db2.gz AGNQGWPZNGRDQY-UWVGGRQHSA-N -1 0 310.358 -0.348 20 0 DBADRM COC[C@H](NC(=O)c1cc(OC(F)F)n(C)n1)c1nnn[n-]1 ZINC001362907823 981992348 /nfs/dbraw/zinc/99/23/48/981992348.db2.gz INYSMUWPYZGOIN-LURJTMIESA-N -1 0 317.256 -0.348 20 0 DBADRM COCCn1cc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)nn1 ZINC001362909413 981994304 /nfs/dbraw/zinc/99/43/04/981994304.db2.gz XMKGUGWKLFDSSL-JTQLQIEISA-N -1 0 320.357 -0.468 20 0 DBADRM COC[C@H](NC(=O)Cc1ccc(O)c(OC)c1)c1nnn[n-]1 ZINC001362910045 981994921 /nfs/dbraw/zinc/99/49/21/981994921.db2.gz PTOCNTWBWOWFGF-VIFPVBQESA-N -1 0 307.310 -0.040 20 0 DBADRM COC[C@@H](NC(=O)CN1Cc2ccccc2C1=O)c1nnn[n-]1 ZINC001362912818 981995577 /nfs/dbraw/zinc/99/55/77/981995577.db2.gz ZFAGUTWSFVCVHA-LLVKDONJSA-N -1 0 316.321 -0.341 20 0 DBADRM CC(C)OC[C@H](CO)N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362925154 982005732 /nfs/dbraw/zinc/00/57/32/982005732.db2.gz RXNPAVXZOQZTMM-JTQLQIEISA-N -1 0 316.358 -0.286 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC001362929043 982009422 /nfs/dbraw/zinc/00/94/22/982009422.db2.gz LOKFPZZLYAAKIH-IAQYHMDHSA-N -1 0 317.349 -0.165 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001362936608 982014933 /nfs/dbraw/zinc/01/49/33/982014933.db2.gz KLVGELLSIGJGHE-CBAPKCEASA-N -1 0 315.326 -0.120 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(C)Cc2nc(=O)o[n-]2)o1 ZINC001362949249 982022727 /nfs/dbraw/zinc/02/27/27/982022727.db2.gz VEVADXDHTHYCEZ-UHFFFAOYSA-N -1 0 316.295 -0.864 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC001362950445 982023464 /nfs/dbraw/zinc/02/34/64/982023464.db2.gz QKJXWMIQAUYXQZ-BQBZGAKWSA-N -1 0 313.314 -0.080 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1Cc2ccccc2NC(=O)C1 ZINC001362954124 982024761 /nfs/dbraw/zinc/02/47/61/982024761.db2.gz DGAGJOIWOCVEJU-UHFFFAOYSA-N -1 0 301.262 -0.123 20 0 DBADRM COCC[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)OC ZINC001362973627 982039122 /nfs/dbraw/zinc/03/91/22/982039122.db2.gz UDPFEZULEHMNQW-MRVPVSSYSA-N -1 0 316.314 -0.836 20 0 DBADRM Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)Cn2c(=O)[n-][nH]c2=O)cn1 ZINC001362976859 982040217 /nfs/dbraw/zinc/04/02/17/982040217.db2.gz JOMCVTCPBPNVLG-WDEREUQCSA-N -1 0 320.353 -0.050 20 0 DBADRM COc1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)c(OC)n1 ZINC001362980980 982042913 /nfs/dbraw/zinc/04/29/13/982042913.db2.gz OYMGWNGJXPESFG-UHFFFAOYSA-N -1 0 309.282 -0.582 20 0 DBADRM COC[C@H]1CCCN1NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362996211 982056823 /nfs/dbraw/zinc/05/68/23/982056823.db2.gz GBPYXORXAWDAOJ-GFCCVEGCSA-N -1 0 317.353 -0.170 20 0 DBADRM CC1(C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1N1CCOCC1 ZINC001363000011 982058478 /nfs/dbraw/zinc/05/84/78/982058478.db2.gz GZKMIKGDGQBANP-BDAKNGLRSA-N -1 0 323.353 -0.488 20 0 DBADRM CSCC[C@H](NC(=O)[C@@]1(C)C[C@@H](O)CN1C)c1nnn[n-]1 ZINC001363001989 982061664 /nfs/dbraw/zinc/06/16/64/982061664.db2.gz SXXOIZFLZOCYJQ-VDDIYKPWSA-N -1 0 314.415 -0.435 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001363008358 982064641 /nfs/dbraw/zinc/06/46/41/982064641.db2.gz KBVCARUJDNLDFR-DJLDLDEBSA-N -1 0 318.337 -0.805 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001363014762 982071616 /nfs/dbraw/zinc/07/16/16/982071616.db2.gz DUWPZCJKBDWUKQ-MRVPVSSYSA-N -1 0 317.305 -0.474 20 0 DBADRM CC1=NO[C@H](CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001363016236 982073491 /nfs/dbraw/zinc/07/34/91/982073491.db2.gz QMSLSSRUXLRQGY-NSHDSACASA-N -1 0 301.310 -0.031 20 0 DBADRM Cc1cn(C(C)(C)C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cn1 ZINC001363031106 982085876 /nfs/dbraw/zinc/08/58/76/982085876.db2.gz WHIKIRFPTWTBND-UHFFFAOYSA-N -1 0 319.369 -0.050 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H](CCO)Cc1ccccc1 ZINC001363030469 982085925 /nfs/dbraw/zinc/08/59/25/982085925.db2.gz YQOMEIQJKPBPFL-NSHDSACASA-N -1 0 306.322 -0.201 20 0 DBADRM O=C(Cn1cc(C2CC2)nn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363029518 982086091 /nfs/dbraw/zinc/08/60/91/982086091.db2.gz RESSPRAKWLVSNM-UHFFFAOYSA-N -1 0 318.341 -0.821 20 0 DBADRM O=C(c1cn2c(n1)CCCC2)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363031345 982087044 /nfs/dbraw/zinc/08/70/44/982087044.db2.gz XLOVCWYWKQXIFX-UHFFFAOYSA-N -1 0 317.353 -0.144 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]([C@@H]1CCOC1)C(F)(F)F ZINC001363040839 982093979 /nfs/dbraw/zinc/09/39/79/982093979.db2.gz KOOSSTVOMXXURV-VDTYLAMSSA-N -1 0 310.232 -0.227 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N(C)c2nnn[n-]2)c(C)o1 ZINC001363044976 982097064 /nfs/dbraw/zinc/09/70/64/982097064.db2.gz AJTVIKIBTGCVQV-UHFFFAOYSA-N -1 0 300.300 -0.714 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC2CC(CO)(CO)C2)cc1=O ZINC001363060067 982107613 /nfs/dbraw/zinc/10/76/13/982107613.db2.gz URSWXYURUDVDPK-UHFFFAOYSA-N -1 0 311.382 -0.376 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCOCCN3)cc2=O)n1 ZINC001363077293 982120126 /nfs/dbraw/zinc/12/01/26/982120126.db2.gz VZUHAUPQDQCQKU-UHFFFAOYSA-N -1 0 318.337 -0.451 20 0 DBADRM CN(Cc1ccccc1S(N)(=O)=O)C(=O)CCc1nnn[n-]1 ZINC001363077842 982120210 /nfs/dbraw/zinc/12/02/10/982120210.db2.gz YWGMLNSVNJTILQ-UHFFFAOYSA-N -1 0 324.366 -0.562 20 0 DBADRM C[C@@H]1[C@@H](CO)CCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001363076405 982120329 /nfs/dbraw/zinc/12/03/29/982120329.db2.gz YNEWYBQZNXLQPI-RKDXNWHRSA-N -1 0 314.363 -0.118 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1CCCC12OCCO2 ZINC001363102314 982139818 /nfs/dbraw/zinc/13/98/18/982139818.db2.gz SOHVJKUYIJJGFB-VIFPVBQESA-N -1 0 312.326 -0.119 20 0 DBADRM Cc1nc(C)c(CCC(=O)NCCc2nc(=O)o[n-]2)c(=O)[nH]1 ZINC001363113035 982146821 /nfs/dbraw/zinc/14/68/21/982146821.db2.gz SKJPXBVZXKBKPX-UHFFFAOYSA-N -1 0 307.310 -0.233 20 0 DBADRM Cc1nc(C)c(CC(=O)N2CCOC[C@@H]2c2nnn[n-]2)c(=O)[nH]1 ZINC001363115806 982148710 /nfs/dbraw/zinc/14/87/10/982148710.db2.gz FXLQWIPLMMEVDO-SNVBAGLBSA-N -1 0 319.325 -0.545 20 0 DBADRM Cc1ncc2n1C[C@H](C(=O)N1CCOC[C@H]1c1nnn[n-]1)CC2 ZINC001363117656 982149096 /nfs/dbraw/zinc/14/90/96/982149096.db2.gz YIMKGNGWMWQXEE-PWSUYJOCSA-N -1 0 317.353 -0.133 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363117223 982149180 /nfs/dbraw/zinc/14/91/80/982149180.db2.gz SZHIECKHLGXEAI-GXSJLCMTSA-N -1 0 305.342 -0.288 20 0 DBADRM O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363117791 982149480 /nfs/dbraw/zinc/14/94/80/982149480.db2.gz YTKYVARRMGNKMY-RKDXNWHRSA-N -1 0 313.339 -0.952 20 0 DBADRM O=C(c1cn2c(n1)COCC2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363116747 982149651 /nfs/dbraw/zinc/14/96/51/982149651.db2.gz OSERLIJRXXYCOE-SECBINFHSA-N -1 0 305.298 -0.860 20 0 DBADRM CS(=O)(=O)C1CN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC001363119337 982152075 /nfs/dbraw/zinc/15/20/75/982152075.db2.gz XWKJPXZZNWQBDZ-UHFFFAOYSA-N -1 0 323.330 -0.101 20 0 DBADRM O=C(c1ccc(O)cn1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001363128617 982157071 /nfs/dbraw/zinc/15/70/71/982157071.db2.gz HHQHZXGZVNZTRL-CYBMUJFWSA-N -1 0 312.347 -0.183 20 0 DBADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)NC[C@H](O)C(N)=O)n2)c1 ZINC001363132744 982158236 /nfs/dbraw/zinc/15/82/36/982158236.db2.gz CRXXZSPPHCDXFA-JTQLQIEISA-N -1 0 322.296 -0.399 20 0 DBADRM CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001363137245 982162682 /nfs/dbraw/zinc/16/26/82/982162682.db2.gz ATVHKUXUFJQKQE-RNFRBKRXSA-N -1 0 314.273 -0.354 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCC2N=NC(=O)N2C)c1 ZINC001363137487 982165325 /nfs/dbraw/zinc/16/53/25/982165325.db2.gz DALSWTAMOUFASF-JOCHJYFZSA-N -1 0 324.362 -0.047 20 0 DBADRM CS(=O)(=O)c1cccnc1CNC(=O)CCc1nnn[n-]1 ZINC001363141540 982168375 /nfs/dbraw/zinc/16/83/75/982168375.db2.gz UCVOSGSKMAXFEH-UHFFFAOYSA-N -1 0 310.339 -0.753 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001363139651 982169100 /nfs/dbraw/zinc/16/91/00/982169100.db2.gz IMQQNCCQWHIRDM-UHFFFAOYSA-N -1 0 305.250 -0.639 20 0 DBADRM Cn1ccnc1N1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001363142358 982172719 /nfs/dbraw/zinc/17/27/19/982172719.db2.gz STRULTPCDFHZRH-UHFFFAOYSA-N -1 0 319.325 -0.585 20 0 DBADRM CN(C(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)c1nnn[n-]1 ZINC001363153224 982183363 /nfs/dbraw/zinc/18/33/63/982183363.db2.gz UQMPCUITYMPAQX-UHNVWZDZSA-N -1 0 313.261 -0.614 20 0 DBADRM COc1cc(C(=O)N(C)c2nnn[n-]2)ccc1OCC(N)=O ZINC001363152157 982183614 /nfs/dbraw/zinc/18/36/14/982183614.db2.gz SODZVBGRLQREJG-UHFFFAOYSA-N -1 0 306.282 -0.651 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001363156085 982185047 /nfs/dbraw/zinc/18/50/47/982185047.db2.gz RAUYKGWVSWYRAT-LPEHRKFASA-N -1 0 313.358 -0.697 20 0 DBADRM NC(=O)c1nccnc1N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001363156971 982185080 /nfs/dbraw/zinc/18/50/80/982185080.db2.gz PQMRWHGEHRXXFT-UHFFFAOYSA-N -1 0 303.244 -0.310 20 0 DBADRM C[C@@H](O)[C@H](O)CNC(=O)c1nc[n-]c(=O)c1Br ZINC001363164479 982189604 /nfs/dbraw/zinc/18/96/04/982189604.db2.gz BECXOCYVAKJQDQ-RFZPGFLSSA-N -1 0 306.116 -0.584 20 0 DBADRM COCC[C@@H](COC)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363175795 982198646 /nfs/dbraw/zinc/19/86/46/982198646.db2.gz QGJJOVVZFOEKHF-NSHDSACASA-N -1 0 320.353 -0.144 20 0 DBADRM CC[C@@](COC)(NC(=O)CSc1n[nH]c(=O)[n-]1)C(=O)OC ZINC001363182400 982204016 /nfs/dbraw/zinc/20/40/16/982204016.db2.gz BTFCLTRFGBAQKO-NSHDSACASA-N -1 0 318.355 -0.313 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC001363184964 982205477 /nfs/dbraw/zinc/20/54/77/982205477.db2.gz RPWTWUPRPJXONT-NXEZZACHSA-N -1 0 323.353 -0.261 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@H]2c2nnn[n-]2)C1 ZINC001363204184 982221513 /nfs/dbraw/zinc/22/15/13/982221513.db2.gz OPZRCUZUURGNQS-KXUCPTDWSA-N -1 0 308.342 -0.609 20 0 DBADRM COc1cccnc1CC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363203937 982223069 /nfs/dbraw/zinc/22/30/69/982223069.db2.gz MESUBTLSARGGFS-JTQLQIEISA-N -1 0 304.310 -0.254 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@@H]2c2nnn[n-]2)C1 ZINC001363204186 982223282 /nfs/dbraw/zinc/22/32/82/982223282.db2.gz OPZRCUZUURGNQS-OPRDCNLKSA-N -1 0 308.342 -0.609 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)N3CC[C@@H](c4nnn[n-]4)C3)C2)cn1 ZINC001363215269 982229407 /nfs/dbraw/zinc/22/94/07/982229407.db2.gz CLLUDDPYNJHSQV-KCJUWKMLSA-N -1 0 316.325 -0.558 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363216092 982231043 /nfs/dbraw/zinc/23/10/43/982231043.db2.gz HXORJRZFPVLZEX-SECBINFHSA-N -1 0 311.342 -0.126 20 0 DBADRM O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1cc(F)cc(F)c1[O-] ZINC001363250293 982269112 /nfs/dbraw/zinc/26/91/12/982269112.db2.gz CBXZHLUPHNPUCU-LBPRGKRZSA-N -1 0 321.301 -0.050 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(C(=O)OC)CC1)C(=O)[O-] ZINC001594892328 982294487 /nfs/dbraw/zinc/29/44/87/982294487.db2.gz ADOYUEOWFXYMDF-JQWIXIFHSA-N -1 0 315.370 -0.014 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)Cn1cc([C@H](C)O)nn1 ZINC001363274756 982296796 /nfs/dbraw/zinc/29/67/96/982296796.db2.gz ABMUNWLQMMTYFO-VIFPVBQESA-N -1 0 308.346 -0.471 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@H](CO)[C@H](CO)C1)C(=O)[O-] ZINC001594893036 982300150 /nfs/dbraw/zinc/30/01/50/982300150.db2.gz GFNUQEYPJYASPL-KQXIARHKSA-N -1 0 302.371 -0.866 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1C[C@H](CO)[C@H](CO)C1)C(=O)[O-] ZINC001594893034 982300577 /nfs/dbraw/zinc/30/05/77/982300577.db2.gz GFNUQEYPJYASPL-HNCHTBHHSA-N -1 0 302.371 -0.866 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(CCO)C[C@H]1C)C(=O)[O-] ZINC001594893172 982301715 /nfs/dbraw/zinc/30/17/15/982301715.db2.gz GXLHVYPOEMTPCV-SCRDCRAPSA-N -1 0 315.414 -0.400 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001363281381 982303022 /nfs/dbraw/zinc/30/30/22/982303022.db2.gz HAZAWQXXVNJULF-MRVPVSSYSA-N -1 0 301.372 -0.414 20 0 DBADRM COCC(=O)NCCC(=O)N[C@@H](CCSC)c1nnn[n-]1 ZINC001363281384 982303801 /nfs/dbraw/zinc/30/38/01/982303801.db2.gz WYSGDCUAZZSUMF-QMMMGPOBSA-N -1 0 316.387 -0.737 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001531018544 1014824664 /nfs/dbraw/zinc/82/46/64/1014824664.db2.gz KLPWFCIPBGQCDH-SNVBAGLBSA-N -1 0 323.353 -0.451 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](O)C[C@@H]1C(=O)OC)C(=O)[O-] ZINC001594893732 982310199 /nfs/dbraw/zinc/31/01/99/982310199.db2.gz XDTOMZVCOGGCTK-GUDRVLHUSA-N -1 0 316.354 -0.790 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CN1CC[C@@H](c2nn[nH]n2)C1 ZINC001363292834 982316152 /nfs/dbraw/zinc/31/61/52/982316152.db2.gz UHFMNJOCRUVMNH-SECBINFHSA-N -1 0 309.374 -0.980 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)o1 ZINC001363304937 982327211 /nfs/dbraw/zinc/32/72/11/982327211.db2.gz CTQGCFUYGPDANH-SSDOTTSWSA-N -1 0 311.323 -0.174 20 0 DBADRM COc1ccc(CN(CCO)C(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001363328951 982344930 /nfs/dbraw/zinc/34/49/30/982344930.db2.gz WNTACLFNYJELEB-UHFFFAOYSA-N -1 0 322.321 -0.281 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@H](O)CC2(CCOCC2)C1 ZINC001363330452 982347032 /nfs/dbraw/zinc/34/70/32/982347032.db2.gz ZKBVEEQKJSODCE-MRVPVSSYSA-N -1 0 310.310 -0.714 20 0 DBADRM CN(C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C(C)(C)C(N)=O ZINC001363340726 982353251 /nfs/dbraw/zinc/35/32/51/982353251.db2.gz NWGNRDJAOYZVKC-UHFFFAOYSA-N -1 0 319.321 -0.398 20 0 DBADRM COCC1(O)CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)C1 ZINC001363340545 982353807 /nfs/dbraw/zinc/35/38/07/982353807.db2.gz LQFOURDBDXZWBP-UHFFFAOYSA-N -1 0 320.305 -0.422 20 0 DBADRM CN1C[C@@H](C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)NC1=O ZINC001363343720 982354399 /nfs/dbraw/zinc/35/43/99/982354399.db2.gz IMHFMYVOVPINFH-VHSXEESVSA-N -1 0 301.310 -0.571 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)Nn1ccc(=O)[nH]c1=O ZINC001363346933 982356270 /nfs/dbraw/zinc/35/62/70/982356270.db2.gz QEJGFKXJDSPBIF-UHFFFAOYSA-N -1 0 324.318 -0.296 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC001363373004 982366911 /nfs/dbraw/zinc/36/69/11/982366911.db2.gz AGHQRMQDDSUQCC-UHFFFAOYSA-N -1 0 316.277 -0.058 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C(=O)O1 ZINC001363372982 982367461 /nfs/dbraw/zinc/36/74/61/982367461.db2.gz DYSVVWBKYZTQKL-GMSGAONNSA-N -1 0 302.294 -0.491 20 0 DBADRM CCn1ncn([N-]C(=O)c2sccc2S(N)(=O)=O)c1=O ZINC001363375892 982369890 /nfs/dbraw/zinc/36/98/90/982369890.db2.gz FKHPJCZNUOCDRQ-UHFFFAOYSA-N -1 0 317.352 -0.843 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)c1[O-] ZINC001363383468 982378259 /nfs/dbraw/zinc/37/82/59/982378259.db2.gz GWCOXVNJHOJLDY-QMMMGPOBSA-N -1 0 302.356 -0.565 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(Cl)c([O-])c1 ZINC001363385217 982380428 /nfs/dbraw/zinc/38/04/28/982380428.db2.gz GAIORJBLPHIEEF-UHFFFAOYSA-N -1 0 313.741 -0.020 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NCc2cc(=O)cc[nH]2)co1 ZINC001363388491 982381456 /nfs/dbraw/zinc/38/14/56/982381456.db2.gz BYGLOCSCPIOMFK-UHFFFAOYSA-N -1 0 311.319 -0.194 20 0 DBADRM O=C(CCN1CCOC1=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001363395407 982386246 /nfs/dbraw/zinc/38/62/46/982386246.db2.gz DJWNTMJTPSPDGH-JTQLQIEISA-N -1 0 308.342 -0.177 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1n[nH]c2c1COCC2 ZINC001363399270 982389899 /nfs/dbraw/zinc/38/98/99/982389899.db2.gz MJCDJIAZUOEHAK-UHFFFAOYSA-N -1 0 315.293 -0.494 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@H](O)c1cncs1 ZINC001363409354 982396625 /nfs/dbraw/zinc/39/66/25/982396625.db2.gz CHXCFTVKQLYHBO-QMMMGPOBSA-N -1 0 320.334 -0.623 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@@H](O)c1cncs1 ZINC001363409352 982397277 /nfs/dbraw/zinc/39/72/77/982397277.db2.gz CHXCFTVKQLYHBO-MRVPVSSYSA-N -1 0 320.334 -0.623 20 0 DBADRM O=C(CCc1nnn[n-]1)NCC(=O)N1CCOc2ccccc21 ZINC001363412271 982398254 /nfs/dbraw/zinc/39/82/54/982398254.db2.gz IMMKAEQGTPHPPT-UHFFFAOYSA-N -1 0 316.321 -0.326 20 0 DBADRM O=C(CCCn1ccccc1=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363411867 982399311 /nfs/dbraw/zinc/39/93/11/982399311.db2.gz QXMAVUBTQIPVCI-LLVKDONJSA-N -1 0 318.337 -0.258 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CCc2cnc(C)n2C1)c1nnn[n-]1 ZINC001363414814 982400218 /nfs/dbraw/zinc/40/02/18/982400218.db2.gz MMOMBBMSTNHBNN-GXSJLCMTSA-N -1 0 305.342 -0.229 20 0 DBADRM COC[C@H](NC(=O)c1ccnc(N2CCCC2)n1)c1nnn[n-]1 ZINC001363416235 982401699 /nfs/dbraw/zinc/40/16/99/982401699.db2.gz PSWDEQCAYVXGAW-JTQLQIEISA-N -1 0 318.341 -0.293 20 0 DBADRM O=C(N[C@@H]1COC[C@@H]1O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001363441306 982415142 /nfs/dbraw/zinc/41/51/42/982415142.db2.gz LSFDHZMIOMKYAN-SFYZADRCSA-N -1 0 322.239 -0.052 20 0 DBADRM O=C(NC[C@H]1CNC(=O)C1)c1nc[n-]c(=O)c1Br ZINC001363443718 982418275 /nfs/dbraw/zinc/41/82/75/982418275.db2.gz VPICATSRLKFICW-RXMQYKEDSA-N -1 0 315.127 -0.189 20 0 DBADRM CN(C[C@]1(O)CCc2ccccc21)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363448385 982421989 /nfs/dbraw/zinc/42/19/89/982421989.db2.gz HPEVGKPBRSAIGS-OAHLLOKOSA-N -1 0 318.333 -0.018 20 0 DBADRM CC(C)(CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1(O)CCOCC1 ZINC001363451722 982423482 /nfs/dbraw/zinc/42/34/82/982423482.db2.gz FJVFRHUDMMZLIM-UHFFFAOYSA-N -1 0 314.342 -0.627 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC001363451211 982423617 /nfs/dbraw/zinc/42/36/17/982423617.db2.gz MBHNZZRSIWFJEI-UHFFFAOYSA-N -1 0 318.293 -0.582 20 0 DBADRM CC(C)(C)[C@H](NC(=O)CN1CCOCC1=O)c1nc(=O)o[n-]1 ZINC001363457952 982430327 /nfs/dbraw/zinc/43/03/27/982430327.db2.gz HXNNISCZCVBBND-SNVBAGLBSA-N -1 0 312.326 -0.575 20 0 DBADRM CC1(C(N)=O)CN(C(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001363461769 982432959 /nfs/dbraw/zinc/43/29/59/982432959.db2.gz GYYQEPCFORDDCU-UHFFFAOYSA-N -1 0 315.127 -0.108 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)Cn1cncn1 ZINC001531148850 1014839714 /nfs/dbraw/zinc/83/97/14/1014839714.db2.gz UYFOZJAMDGMXOF-VIFPVBQESA-N -1 0 321.341 -0.660 20 0 DBADRM CO[C@@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)[C@H]1CCOC1 ZINC001363481272 982445926 /nfs/dbraw/zinc/44/59/26/982445926.db2.gz ATHRJVHGIWCRCS-UWVGGRQHSA-N -1 0 314.342 -0.363 20 0 DBADRM O=C(C[C@@H]1CCCS1(=O)=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001363489052 982451551 /nfs/dbraw/zinc/45/15/51/982451551.db2.gz XOTZORWJSAJZIQ-ZETCQYMHSA-N -1 0 301.324 -0.529 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@H](O)c1ccncc1 ZINC001363494046 982456530 /nfs/dbraw/zinc/45/65/30/982456530.db2.gz FDYULYMPPKBWCB-NSHDSACASA-N -1 0 314.305 -0.684 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1ccn(C2CCOCC2)n1 ZINC001363496935 982460857 /nfs/dbraw/zinc/46/08/57/982460857.db2.gz FEJLNFPSXXGLCJ-UHFFFAOYSA-N -1 0 305.294 -0.119 20 0 DBADRM COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)CCCc1nnn[n-]1 ZINC001363503867 982468236 /nfs/dbraw/zinc/46/82/36/982468236.db2.gz LARRSSWIHYMGGS-ZANVPECISA-N -1 0 311.342 -0.299 20 0 DBADRM Cn1cc(C(=O)CCC(=O)N2CCOC[C@H]2c2nnn[n-]2)cn1 ZINC001363512517 982474285 /nfs/dbraw/zinc/47/42/85/982474285.db2.gz NYEPCUJIJMYGML-JTQLQIEISA-N -1 0 319.325 -0.504 20 0 DBADRM Cc1c(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)nnn1C(C)C ZINC001363513522 982477042 /nfs/dbraw/zinc/47/70/42/982477042.db2.gz QOGYJACXHQCJFN-SECBINFHSA-N -1 0 306.330 -0.106 20 0 DBADRM O=C(Cc1[nH]nc2c1CCCC2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363515347 982480204 /nfs/dbraw/zinc/48/02/04/982480204.db2.gz ZVGLDVFREPYETQ-LBPRGKRZSA-N -1 0 317.353 -0.056 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(c3nnn[n-]3)CC2)O1 ZINC001363518499 982481459 /nfs/dbraw/zinc/48/14/59/982481459.db2.gz GBBHSQZJQJDEFK-ZJUUUORDSA-N -1 0 309.326 -0.374 20 0 DBADRM C[C@@H]1[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CCS1(=O)=O ZINC001363518688 982482021 /nfs/dbraw/zinc/48/20/21/982482021.db2.gz VPTUPYJLKNLEKO-VXNVDRBHSA-N -1 0 310.335 -0.672 20 0 DBADRM O=C(N[C@@H]1CCOC[C@H]1O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001363552610 982505087 /nfs/dbraw/zinc/50/50/87/982505087.db2.gz JZKXDYROMPIKBW-GHMZBOCLSA-N -1 0 320.305 -0.854 20 0 DBADRM CC(C)(CNC(=O)CSc1n[nH]c(=O)[n-]1)CS(C)(=O)=O ZINC001363556220 982506767 /nfs/dbraw/zinc/50/67/67/982506767.db2.gz XKCBBRVDSIEZNQ-UHFFFAOYSA-N -1 0 322.412 -0.211 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@](CO)(C(F)(F)F)C1 ZINC001363557135 982508733 /nfs/dbraw/zinc/50/87/33/982508733.db2.gz ZFOYBDMAHXMSOF-VIFPVBQESA-N -1 0 308.216 -0.330 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC001363565200 982513393 /nfs/dbraw/zinc/51/33/93/982513393.db2.gz KZYCRAJFUQRNFQ-SECBINFHSA-N -1 0 320.305 -0.037 20 0 DBADRM COc1cccc(C(=O)NCC(=O)N(C)Cc2nc(=O)o[n-]2)c1 ZINC001363564913 982513554 /nfs/dbraw/zinc/51/35/54/982513554.db2.gz IZVHVJYZARPWPC-UHFFFAOYSA-N -1 0 320.305 -0.240 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)c1[O-] ZINC001363572980 982516074 /nfs/dbraw/zinc/51/60/74/982516074.db2.gz FOZYTSWOJXWYQG-QMMMGPOBSA-N -1 0 303.340 -0.955 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)Nc1ccccc1)c1nnn[n-]1 ZINC001363587335 982524887 /nfs/dbraw/zinc/52/48/87/982524887.db2.gz LDGGMVLGOAWREX-JTQLQIEISA-N -1 0 319.325 -0.175 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CCc2ncncc2C1)c1nnn[n-]1 ZINC001363591416 982527936 /nfs/dbraw/zinc/52/79/36/982527936.db2.gz TWCIMETZUNCTPE-GZMMTYOYSA-N -1 0 303.326 -0.402 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(Cc2ncon2)CC1 ZINC001363598317 982531967 /nfs/dbraw/zinc/53/19/67/982531967.db2.gz SZIWUTLAMSCDLF-UHFFFAOYSA-N -1 0 308.298 -0.446 20 0 DBADRM NC(=O)[C@]12CCC[C@H]1CN(C(=O)c1c[n-]n3c1nccc3=O)C2 ZINC001363647035 982552783 /nfs/dbraw/zinc/55/27/83/982552783.db2.gz MNBUXEXPINGWPQ-VFZGTOFNSA-N -1 0 315.333 -0.250 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@H](C)c2nn(C)cc2[O-])nn1 ZINC001363656421 982556105 /nfs/dbraw/zinc/55/61/05/982556105.db2.gz ACLOBVMKPWZCNO-RKDXNWHRSA-N -1 0 308.342 -0.021 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001363658008 982557807 /nfs/dbraw/zinc/55/78/07/982557807.db2.gz BLTMCPJFTUYDCF-UHFFFAOYSA-N -1 0 301.372 -0.270 20 0 DBADRM O=C(CNC(=O)c1ccncc1)N1CCC(c2nnn[n-]2)CC1 ZINC001363660918 982557876 /nfs/dbraw/zinc/55/78/76/982557876.db2.gz OSIMZFOXUXTKSA-UHFFFAOYSA-N -1 0 315.337 -0.269 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363664862 982561821 /nfs/dbraw/zinc/56/18/21/982561821.db2.gz CPEBFGQTRHIVMY-VXGBXAGGSA-N -1 0 318.337 -0.391 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)[C@@H]2CCNC(=O)CC2)n[n-]1 ZINC001363710026 982581522 /nfs/dbraw/zinc/58/15/22/982581522.db2.gz SAHLNWGCBYCTCQ-LURJTMIESA-N -1 0 301.328 -0.937 20 0 DBADRM CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC001363719209 982587166 /nfs/dbraw/zinc/58/71/66/982587166.db2.gz JPACVILGPNLZCR-UHFFFAOYSA-N -1 0 317.371 -0.509 20 0 DBADRM COC(=O)c1cnn(CC(=O)N2CC[C@@H](c3nnn[n-]3)C2)c1 ZINC001363721179 982587375 /nfs/dbraw/zinc/58/73/75/982587375.db2.gz MNAFNWNRXFTQQW-MRVPVSSYSA-N -1 0 305.298 -0.801 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363722675 982589436 /nfs/dbraw/zinc/58/94/36/982589436.db2.gz OPEWGOHKTJSTOL-VIFPVBQESA-N -1 0 301.372 -0.414 20 0 DBADRM O=C(NCc1ccc(N2CCNC2=O)cc1)c1n[nH]c(=O)[n-]1 ZINC001363726327 982593018 /nfs/dbraw/zinc/59/30/18/982593018.db2.gz ZZXSIUHSBLDKKX-UHFFFAOYSA-N -1 0 302.294 -0.030 20 0 DBADRM C/C=C(\C)C(=O)N[C@H](CC)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001531336940 1014856001 /nfs/dbraw/zinc/85/60/01/1014856001.db2.gz CNOVEMOLIQFHDI-RXLGXGPVSA-N -1 0 309.326 -0.126 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC(NC2COC2)C1 ZINC001363783559 982631734 /nfs/dbraw/zinc/63/17/34/982631734.db2.gz XMEZMXISIIGCDE-UHFFFAOYSA-N -1 0 317.305 -0.751 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CC1CC1 ZINC001531348425 1014857434 /nfs/dbraw/zinc/85/74/34/1014857434.db2.gz IRWAIQRIOGPTCM-SECBINFHSA-N -1 0 311.342 -0.500 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC([C@H]2COC(=O)N2)CC1 ZINC001363789357 982638378 /nfs/dbraw/zinc/63/83/78/982638378.db2.gz CGNPQUCWDRYEBN-SNVBAGLBSA-N -1 0 308.342 -0.131 20 0 DBADRM Nc1nc2nc(CN3CC[C@H]4CC[C@@H](C3)[S@]4=O)cc(=O)n2[n-]1 ZINC001363813791 982653107 /nfs/dbraw/zinc/65/31/07/982653107.db2.gz QXKPYHIDCLDKRW-BNMUBRSASA-N -1 0 322.394 -0.515 20 0 DBADRM C[C@H](NC(=O)C[C@@]1(C)CCS(=O)(=O)N1)c1nn(C)cc1[O-] ZINC001363842043 982671053 /nfs/dbraw/zinc/67/10/53/982671053.db2.gz SOGLTXWEERBYCI-QPUJVOFHSA-N -1 0 316.383 -0.225 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)N=S(=O)(CC)CC ZINC001363844848 982672433 /nfs/dbraw/zinc/67/24/33/982672433.db2.gz ZWHPRAZYZQWTDE-MRVPVSSYSA-N -1 0 316.401 -0.747 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001363856770 982675579 /nfs/dbraw/zinc/67/55/79/982675579.db2.gz ZNAPOPNBOJFNEW-QMMMGPOBSA-N -1 0 304.372 -0.416 20 0 DBADRM CC(C)[C@H](CO)CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001363864145 982679299 /nfs/dbraw/zinc/67/92/99/982679299.db2.gz FIVHGIABODBUIC-QMMMGPOBSA-N -1 0 305.356 -0.971 20 0 DBADRM CC(C)[C@@H](CO)CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001363864132 982679327 /nfs/dbraw/zinc/67/93/27/982679327.db2.gz FIVHGIABODBUIC-MRVPVSSYSA-N -1 0 305.356 -0.971 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363884675 982694555 /nfs/dbraw/zinc/69/45/55/982694555.db2.gz KVNPVNADXSFTRY-LBPRGKRZSA-N -1 0 318.337 -0.438 20 0 DBADRM CC[C@H](CNC(=O)[C@@H]1CC12CC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001531518556 1014869048 /nfs/dbraw/zinc/86/90/48/1014869048.db2.gz MXMOAWOCWYDKKZ-SFYZADRCSA-N -1 0 321.337 -0.293 20 0 DBADRM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001363931982 982730831 /nfs/dbraw/zinc/73/08/31/982730831.db2.gz GOICKBLRJIIEKZ-WZRBSPASSA-N -1 0 321.395 -0.213 20 0 DBADRM CC[C@@](COC)([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)OC ZINC001363933769 982733939 /nfs/dbraw/zinc/73/39/39/982733939.db2.gz GMKBLXWQYRXFLB-VIFPVBQESA-N -1 0 316.401 -0.483 20 0 DBADRM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)C[C@H]1CCC2(CCC2)O1 ZINC001363941858 982740145 /nfs/dbraw/zinc/74/01/45/982740145.db2.gz PQGHQJZXYOEQAK-PWSUYJOCSA-N -1 0 321.395 -0.069 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ncc[n-]1 ZINC001363967560 982755579 /nfs/dbraw/zinc/75/55/79/982755579.db2.gz HGXVOSMIEKJUME-RKDXNWHRSA-N -1 0 322.412 -0.594 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)[nH]n1)C1CC1 ZINC001363979013 982763705 /nfs/dbraw/zinc/76/37/05/982763705.db2.gz UENNSYDZCRPVKI-SECBINFHSA-N -1 0 303.340 -0.100 20 0 DBADRM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)N=S(C)(C)=O ZINC001363982156 982765822 /nfs/dbraw/zinc/76/58/22/982765822.db2.gz WEGCPMVFPHPKGM-RXMQYKEDSA-N -1 0 308.328 -0.255 20 0 DBADRM CC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OC)[nH]n2)C[C@H]1O ZINC001363984031 982766223 /nfs/dbraw/zinc/76/62/23/982766223.db2.gz SUGBHXUAUHXKHK-VXNVDRBHSA-N -1 0 303.340 -0.412 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CCn1cnnc1 ZINC001363984427 982768784 /nfs/dbraw/zinc/76/87/84/982768784.db2.gz SUYZASVRHBLLDL-UHFFFAOYSA-N -1 0 300.296 -0.364 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(Cc2c[nH]cn2)CC1 ZINC001363996402 982775551 /nfs/dbraw/zinc/77/55/51/982775551.db2.gz JGRADQRBCRAXQA-UHFFFAOYSA-N -1 0 306.326 -0.106 20 0 DBADRM Cc1nnc(N2CCN(S(=O)(=O)c3ncc[n-]3)CC2)n1C ZINC001364005601 982778564 /nfs/dbraw/zinc/77/85/64/982778564.db2.gz ZKPCPESNQSOGMJ-UHFFFAOYSA-N -1 0 311.371 -0.642 20 0 DBADRM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001364029604 982797696 /nfs/dbraw/zinc/79/76/96/982797696.db2.gz YWSINOONMNZXLH-MRVPVSSYSA-N -1 0 314.385 -0.993 20 0 DBADRM COC[C@H](NC(=O)c1ccnc2c1CC(=O)N2)c1nnn[n-]1 ZINC001364035611 982801534 /nfs/dbraw/zinc/80/15/34/982801534.db2.gz QTQFNKVJMYLAHR-QMMMGPOBSA-N -1 0 303.282 -0.793 20 0 DBADRM CSCC[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)C(N)=O ZINC001364041287 982803154 /nfs/dbraw/zinc/80/31/54/982803154.db2.gz UOKLJIUCGFAOKR-LURJTMIESA-N -1 0 303.431 -0.845 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(C(=O)OC)n1C)c1nnn[n-]1 ZINC001364039904 982803860 /nfs/dbraw/zinc/80/38/60/982803860.db2.gz YDMQOZJTDDVWDW-SSDOTTSWSA-N -1 0 308.298 -0.558 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001364045113 982804979 /nfs/dbraw/zinc/80/49/79/982804979.db2.gz BXFNYNUFDZAFGC-JGVFFNPUSA-N -1 0 318.355 -0.412 20 0 DBADRM CO[C@H]1COCC[C@@H]1CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001364045121 982805066 /nfs/dbraw/zinc/80/50/66/982805066.db2.gz BXFNYNUFDZAFGC-SFYZADRCSA-N -1 0 318.355 -0.412 20 0 DBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1nnn(C)n1 ZINC001364043040 982805559 /nfs/dbraw/zinc/80/55/59/982805559.db2.gz VISWXHTZHOEUAY-JGVFFNPUSA-N -1 0 303.344 -0.316 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)[C@H]2Cc3cccnc3C2)n[n-]1 ZINC001364047247 982806709 /nfs/dbraw/zinc/80/67/09/982806709.db2.gz HFUTVYLGRWNWHY-QMMMGPOBSA-N -1 0 307.335 -0.043 20 0 DBADRM C[C@@]1(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)CCNC(=O)C1 ZINC001364049396 982807835 /nfs/dbraw/zinc/80/78/35/982807835.db2.gz GMMJDRSRAHBHSA-IINYFYTJSA-N -1 0 306.370 -0.103 20 0 DBADRM NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC001364051906 982808559 /nfs/dbraw/zinc/80/85/59/982808559.db2.gz ZMTCQHJNWMYZDE-VIFPVBQESA-N -1 0 308.342 -0.935 20 0 DBADRM Cc1nccc(CCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)n1 ZINC001364057963 982812858 /nfs/dbraw/zinc/81/28/58/982812858.db2.gz OAZIYMQNOLPFLR-UHFFFAOYSA-N -1 0 310.339 -0.122 20 0 DBADRM CCOC(=O)c1n[nH]c(CNC(=O)[C@@H](OC)[C@H]2CCOC2)n1 ZINC001364083035 982821438 /nfs/dbraw/zinc/82/14/38/982821438.db2.gz JXZXJWIWXIWSLL-WPRPVWTQSA-N -1 0 312.326 -0.351 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)c1cc(N2CCOCC2)ncn1 ZINC001364090869 982823841 /nfs/dbraw/zinc/82/38/41/982823841.db2.gz JYEZWAUJWVMSJS-UHFFFAOYSA-N -1 0 320.309 -0.326 20 0 DBADRM COC(=O)c1c(NC(=O)c2cnc(C)cn2)n[n-]c1OCCO ZINC001364104595 982827203 /nfs/dbraw/zinc/82/72/03/982827203.db2.gz ONJPBHYUIUJFRI-UHFFFAOYSA-N -1 0 321.293 -0.082 20 0 DBADRM CC(C)C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)C(=O)N1CCOCC1 ZINC001364107833 982829171 /nfs/dbraw/zinc/82/91/71/982829171.db2.gz XXTFHDYIKLGKAZ-VIFPVBQESA-N -1 0 311.342 -0.486 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)OC)n[nH]1 ZINC001364110685 982830095 /nfs/dbraw/zinc/83/00/95/982830095.db2.gz VIJRRDOWYWNOKT-MRVPVSSYSA-N -1 0 317.323 -0.478 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2c([O-])cc(F)cc2F)C[C@H]1C(N)=O ZINC001364112020 982830462 /nfs/dbraw/zinc/83/04/62/982830462.db2.gz OXLJINSRXPZOKE-RNFRBKRXSA-N -1 0 313.260 -0.671 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H](CO)C[C@H]1CCCO1 ZINC001364117973 982832489 /nfs/dbraw/zinc/83/24/89/982832489.db2.gz JIKCRXNRKUOISF-VHSXEESVSA-N -1 0 321.337 -0.883 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 ZINC001364121796 982834618 /nfs/dbraw/zinc/83/46/18/982834618.db2.gz CWXFAPXZKSVZAH-YUMQZZPRSA-N -1 0 302.360 -0.846 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C ZINC001364124574 982835697 /nfs/dbraw/zinc/83/56/97/982835697.db2.gz HYZDJFLUXDCZQQ-GFCCVEGCSA-N -1 0 314.346 -0.671 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@](C)(O)C(=O)OC(C)(C)C ZINC001364124604 982835898 /nfs/dbraw/zinc/83/58/98/982835898.db2.gz HYZDJFLUXDCZQQ-LBPRGKRZSA-N -1 0 314.346 -0.671 20 0 DBADRM Cc1cc(C(=O)N(C)c2nnn[n-]2)cc(S(N)(=O)=O)c1C ZINC001364194803 982852449 /nfs/dbraw/zinc/85/24/49/982852449.db2.gz LDDOQNCPJYDMDB-UHFFFAOYSA-N -1 0 310.339 -0.259 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC1(C(=O)OC)CCOCC1 ZINC001364371255 982945462 /nfs/dbraw/zinc/94/54/62/982945462.db2.gz YASLOVMYFSJUQC-UHFFFAOYSA-N -1 0 312.330 -0.794 20 0 DBADRM O=C([C@H]1CCc2ncncc2C1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001364384457 982954124 /nfs/dbraw/zinc/95/41/24/982954124.db2.gz VPZMVPPQHPVNRS-CABZTGNLSA-N -1 0 315.337 -0.305 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@H]1c2ccccc2OC[C@H]1CO ZINC001364428162 982976059 /nfs/dbraw/zinc/97/60/59/982976059.db2.gz KPETVIOEZZTWOU-YMTOWFKASA-N -1 0 303.322 -0.009 20 0 DBADRM COC(=O)[C@@H](Cn1ccnc1)NC(=O)CCCc1nnn[n-]1 ZINC001364508333 983028178 /nfs/dbraw/zinc/02/81/78/983028178.db2.gz XPBLPTDQOKGQDD-SECBINFHSA-N -1 0 307.314 -0.923 20 0 DBADRM O=C(c1ccc2c(n1)OCCO2)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001364566418 983054488 /nfs/dbraw/zinc/05/44/88/983054488.db2.gz DDGIIIAMXYQPNW-MRVPVSSYSA-N -1 0 302.294 -0.004 20 0 DBADRM C[C@@]1(CC(=O)NC2(C(=O)[O-])CCCC2)CCS(=O)(=O)N1 ZINC001573620074 983070536 /nfs/dbraw/zinc/07/05/36/983070536.db2.gz OAMMMIPPHXZDSC-NSHDSACASA-N -1 0 304.368 -0.028 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CN(C)S(C)(=O)=O ZINC001364650390 983082982 /nfs/dbraw/zinc/08/29/82/983082982.db2.gz GUZDCPJQXGDUEF-UHFFFAOYSA-N -1 0 304.376 -0.924 20 0 DBADRM CNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1 ZINC001364748669 983119236 /nfs/dbraw/zinc/11/92/36/983119236.db2.gz FDRCWKQBFUCYTK-UHFFFAOYSA-N -1 0 310.715 -0.256 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CC(=O)NC(C)C ZINC001364750196 983119293 /nfs/dbraw/zinc/11/92/93/983119293.db2.gz KEEMYPZFBSBOGA-UHFFFAOYSA-N -1 0 304.324 -0.131 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)OC)C1)c1nnn[n-]1 ZINC001364813663 983150095 /nfs/dbraw/zinc/15/00/95/983150095.db2.gz JRZKORUKUPZFLX-AEJSXWLSSA-N -1 0 311.342 -0.017 20 0 DBADRM COC[C@@H](NC(=O)CNC(=O)c1ccoc1C)c1nnn[n-]1 ZINC001364814162 983150697 /nfs/dbraw/zinc/15/06/97/983150697.db2.gz MGNIELHUIFNGHF-SECBINFHSA-N -1 0 308.298 -0.665 20 0 DBADRM COC[C@H](NC(=O)c1cnc(OCC2CC2)cn1)c1nnn[n-]1 ZINC001364817105 983151792 /nfs/dbraw/zinc/15/17/92/983151792.db2.gz YUEOLIPSYRITPV-JTQLQIEISA-N -1 0 319.325 -0.104 20 0 DBADRM Cn1cc(CCC(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)nn1 ZINC001364818527 983153591 /nfs/dbraw/zinc/15/35/91/983153591.db2.gz LFUABECAYYUGTQ-SNVBAGLBSA-N -1 0 304.358 -0.258 20 0 DBADRM O=C(C1=C2CCCN=C2NN1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001364819397 983154030 /nfs/dbraw/zinc/15/40/30/983154030.db2.gz PQTLHFOUBNFIOX-SECBINFHSA-N -1 0 316.369 -0.465 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)cn1 ZINC001364819403 983154863 /nfs/dbraw/zinc/15/48/63/983154863.db2.gz PTIFOSNJMBTUKR-VIFPVBQESA-N -1 0 315.337 -0.212 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1nnc(C2CC2)o1 ZINC001364823414 983156659 /nfs/dbraw/zinc/15/66/59/983156659.db2.gz KJPXMWYPVMIIHZ-LJQANCHMSA-N -1 0 323.400 -0.144 20 0 DBADRM CN(C)c1noc(C[N-]S(=O)(=O)N=S2(=O)CCCC2)n1 ZINC001364822829 983157141 /nfs/dbraw/zinc/15/71/41/983157141.db2.gz JYOXNPQTNALYAM-UHFFFAOYSA-N -1 0 323.400 -0.268 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H]1CC2(CCC2)CO1 ZINC001364830953 983160863 /nfs/dbraw/zinc/16/08/63/983160863.db2.gz RETPLGIVZMQRFC-ZJUUUORDSA-N -1 0 307.368 -0.601 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)CC1(C)CCOCC1)C(=O)OC ZINC001364831864 983163165 /nfs/dbraw/zinc/16/31/65/983163165.db2.gz VMKBNHIZSWGSPL-JTQLQIEISA-N -1 0 309.384 -0.090 20 0 DBADRM COC(=O)CC1CC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001364850990 983169053 /nfs/dbraw/zinc/16/90/53/983169053.db2.gz ZUDAEWUQTOCFJP-UHFFFAOYSA-N -1 0 319.321 -0.471 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H]1C(=O)NCC[C@H]1C ZINC001364853108 983170527 /nfs/dbraw/zinc/17/05/27/983170527.db2.gz FFBGFHPIZWZTIK-APPZFPTMSA-N -1 0 316.335 -0.131 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1cnnn1C ZINC001364854038 983171066 /nfs/dbraw/zinc/17/10/66/983171066.db2.gz WYBSDORECQCLGQ-UHFFFAOYSA-N -1 0 300.296 -0.327 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@@H](CO)C1CCOCC1 ZINC001364855502 983171150 /nfs/dbraw/zinc/17/11/50/983171150.db2.gz BNHVZGCVPBDCNV-VIFPVBQESA-N -1 0 300.402 -0.664 20 0 DBADRM CC(C)NC(=O)[C@H](C)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001364882237 983183809 /nfs/dbraw/zinc/18/38/09/983183809.db2.gz MSUMTCNUWMBZFU-VIFPVBQESA-N -1 0 311.429 -0.004 20 0 DBADRM COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)Cc1csc(C)n1 ZINC001364883471 983184042 /nfs/dbraw/zinc/18/40/42/983184042.db2.gz HVTZKLWYTGJSIK-SNVBAGLBSA-N -1 0 308.381 -0.205 20 0 DBADRM CCOC(=O)c1cc(CS(=O)(=O)NC[C@H]2COCO2)on1 ZINC001364885811 983186141 /nfs/dbraw/zinc/18/61/41/983186141.db2.gz VXPIAFUFHRAHJL-VIFPVBQESA-N -1 0 320.323 -0.356 20 0 DBADRM CCOC(=O)[C@@H](CSC)[N-]S(=O)(=O)N=S(C)(C)=O ZINC001364917213 983197941 /nfs/dbraw/zinc/19/79/41/983197941.db2.gz SXQPQLZULUFKRW-SSDOTTSWSA-N -1 0 318.442 -0.157 20 0 DBADRM Cn1cnnc1[C@@H](CO)NS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001364916269 983198071 /nfs/dbraw/zinc/19/80/71/983198071.db2.gz RLEGYGLIGUTUGX-SNVBAGLBSA-N -1 0 316.314 -0.328 20 0 DBADRM CCCn1cc(CNS(=O)(=O)Cc2noc(C)n2)nn1 ZINC001364933046 983204438 /nfs/dbraw/zinc/20/44/38/983204438.db2.gz QEJZKDYUWHTCTP-UHFFFAOYSA-N -1 0 300.344 -0.001 20 0 DBADRM Cc1cc(=O)[nH]c(N2CCN(S(=O)(=O)c3ncc[n-]3)CC2)n1 ZINC001364936253 983205575 /nfs/dbraw/zinc/20/55/75/983205575.db2.gz XZPAIIAVPCFAAJ-UHFFFAOYSA-N -1 0 324.366 -0.275 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]CC(=O)NCc1ccco1 ZINC001365038430 983237709 /nfs/dbraw/zinc/23/77/09/983237709.db2.gz MVTOJHINGYPAJE-UHFFFAOYSA-N -1 0 309.369 -0.542 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCCS(=O)(=O)N1CCCC1 ZINC001365043954 983238261 /nfs/dbraw/zinc/23/82/61/983238261.db2.gz JIZGPFWYSRKYML-UHFFFAOYSA-N -1 0 316.387 -0.936 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOC[C@H]1C[C@@H]1CCOC1 ZINC001365043995 983238974 /nfs/dbraw/zinc/23/89/74/983238974.db2.gz RLGQTIWNTMQSID-DTWKUNHWSA-N -1 0 310.310 -0.450 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC001365055824 983244039 /nfs/dbraw/zinc/24/40/39/983244039.db2.gz DENWIAUFCBJHLN-UHFFFAOYSA-N -1 0 316.387 -0.549 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCc1cccc(C(N)=O)c1 ZINC001365055337 983244207 /nfs/dbraw/zinc/24/42/07/983244207.db2.gz ICCXCNFJKXWGFF-UHFFFAOYSA-N -1 0 303.326 -0.422 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H](C(=O)OC)[C@@H]1CCOC1 ZINC001365056661 983244759 /nfs/dbraw/zinc/24/47/59/983244759.db2.gz RIIMMTOPRKPHEQ-BDAKNGLRSA-N -1 0 312.330 -0.938 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)Cc2noc(C)n2)CCOC1 ZINC001365131073 983268466 /nfs/dbraw/zinc/26/84/66/983268466.db2.gz HJHSSCVUQPDDPP-JTQLQIEISA-N -1 0 305.312 -0.870 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@](C)(O)COC ZINC001365152440 983279543 /nfs/dbraw/zinc/27/95/43/983279543.db2.gz XHJGOJMECXITTH-SECBINFHSA-N -1 0 302.418 -0.274 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1ccc(NC(C)=O)nc1 ZINC001365202701 983296395 /nfs/dbraw/zinc/29/63/95/983296395.db2.gz QJRRFJZRLWKZOV-UHFFFAOYSA-N -1 0 304.314 -0.210 20 0 DBADRM CCN(C)C(=O)CNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365379844 983355441 /nfs/dbraw/zinc/35/54/41/983355441.db2.gz MVRINGQNUBOBJZ-SECBINFHSA-N -1 0 310.358 -0.122 20 0 DBADRM CC1(C)CCN(S(=O)(=O)c2ncc[n-]2)CCS1(=O)=O ZINC001365394484 983362893 /nfs/dbraw/zinc/36/28/93/983362893.db2.gz GYWVKJJNMUINDJ-UHFFFAOYSA-N -1 0 307.397 -0.003 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)C[C@@H]2COc3ccccc3O2)n1 ZINC001365458234 983394584 /nfs/dbraw/zinc/39/45/84/983394584.db2.gz UVVIFVREKOJLMS-QMMMGPOBSA-N -1 0 311.323 -0.208 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]Cc1noc2c1COCC2 ZINC001365463215 983398089 /nfs/dbraw/zinc/39/80/89/983398089.db2.gz HYQUYFOLJXHHPI-UHFFFAOYSA-N -1 0 309.369 -0.191 20 0 DBADRM COC(=O)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC001365470633 983399731 /nfs/dbraw/zinc/39/97/31/983399731.db2.gz LBBHLXZFSVRSFE-LURJTMIESA-N -1 0 306.296 -0.309 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(Cn2cncn2)CC1 ZINC001365500134 983404139 /nfs/dbraw/zinc/40/41/39/983404139.db2.gz GNGWDPFAOBNBHV-UHFFFAOYSA-N -1 0 305.346 -0.350 20 0 DBADRM Cc1ncncc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001365628205 983444899 /nfs/dbraw/zinc/44/48/99/983444899.db2.gz MAYAIULCBDKYCU-UHFFFAOYSA-N -1 0 303.326 -0.433 20 0 DBADRM O=C(c1cc[nH]c(=O)c1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001365628784 983445042 /nfs/dbraw/zinc/44/50/42/983445042.db2.gz QDAARVJEQZTDOG-UHFFFAOYSA-N -1 0 304.310 -0.431 20 0 DBADRM CC[C@@H](C)[C@H](O)CNS(=O)(=O)c1cc(C(=O)OC)[nH]n1 ZINC001365660913 983463141 /nfs/dbraw/zinc/46/31/41/983463141.db2.gz VHIBXHGWBBIVPU-VXNVDRBHSA-N -1 0 305.356 -0.118 20 0 DBADRM CCN(C(=O)CCC(=O)NCCNC(C)=O)C(C)(C)C(=O)[O-] ZINC001596134023 983482940 /nfs/dbraw/zinc/48/29/40/983482940.db2.gz QDYNGQYPWDZDLX-UHFFFAOYSA-N -1 0 315.370 -0.269 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)N2CC[C@@H](O)[C@@H](CO)C2)c1 ZINC001365715207 983495567 /nfs/dbraw/zinc/49/55/67/983495567.db2.gz MDTDKKKTFGQSIW-MWLCHTKSSA-N -1 0 317.363 -0.235 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H]1CCCN(C)C1=O ZINC001365721992 983502382 /nfs/dbraw/zinc/50/23/82/983502382.db2.gz ICFAFHDGSAZZSF-SECBINFHSA-N -1 0 316.335 -0.035 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1nc2c(s1)COCC2 ZINC001365819116 983542050 /nfs/dbraw/zinc/54/20/50/983542050.db2.gz AYHIPMNPFOXBHI-UHFFFAOYSA-N -1 0 309.355 -0.034 20 0 DBADRM CCCNC(=O)C1CCN(C(=O)N=c2nn[n-]n2CC)CC1 ZINC001365825349 983543778 /nfs/dbraw/zinc/54/37/78/983543778.db2.gz ZMHLNXGDWGXWQZ-UHFFFAOYSA-N -1 0 309.374 -0.115 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)N=c2nn[n-]n2CC)CC12COC2 ZINC001365824797 983543943 /nfs/dbraw/zinc/54/39/43/983543943.db2.gz WKPFMFMXXHPRDE-SECBINFHSA-N -1 0 324.341 -0.842 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@]1(c2cnn(C)c2)CCCO1 ZINC001365823465 983544349 /nfs/dbraw/zinc/54/43/49/983544349.db2.gz QQFQXYKMSWSBSE-ZDUSSCGKSA-N -1 0 320.357 -0.324 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC[C@@H]1CCCS1(=O)=O ZINC001365823225 983544769 /nfs/dbraw/zinc/54/47/69/983544769.db2.gz PNXFFMNNUNYVLA-QMMMGPOBSA-N -1 0 302.360 -0.796 20 0 DBADRM CNC(=O)CCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001365889067 983583643 /nfs/dbraw/zinc/58/36/43/983583643.db2.gz LNXZESBIKXRPSV-ZJUUUORDSA-N -1 0 324.385 -0.494 20 0 DBADRM CNC(=O)CCCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001365945486 983606150 /nfs/dbraw/zinc/60/61/50/983606150.db2.gz PIEDKRNCJZRNSR-JTQLQIEISA-N -1 0 324.385 -0.493 20 0 DBADRM CC(C)(O)CC(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366167279 983728824 /nfs/dbraw/zinc/72/88/24/983728824.db2.gz KOXNHRPSAOPZDF-JTQLQIEISA-N -1 0 311.386 -0.001 20 0 DBADRM O=C(CCc1nnc[nH]1)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001366659331 983893596 /nfs/dbraw/zinc/89/35/96/983893596.db2.gz QVJNRLPIKISTDP-VIFPVBQESA-N -1 0 320.357 -0.658 20 0 DBADRM O=C(CCn1ccnc1)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001366661957 983896097 /nfs/dbraw/zinc/89/60/97/983896097.db2.gz PTQJEOBXUKYYJV-NSHDSACASA-N -1 0 319.369 -0.122 20 0 DBADRM Cc1ccnn1CC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001366676455 983899248 /nfs/dbraw/zinc/89/92/48/983899248.db2.gz ZWMVLHMBVGMUQJ-NSHDSACASA-N -1 0 319.369 -0.204 20 0 DBADRM C[C@]1(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCOC1 ZINC001366701278 983930853 /nfs/dbraw/zinc/93/08/53/983930853.db2.gz XXRDOZPFSCNBSB-HZMBPMFUSA-N -1 0 309.370 -0.125 20 0 DBADRM C[C@H](NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)c1ncccn1 ZINC001366773910 983987290 /nfs/dbraw/zinc/98/72/90/983987290.db2.gz IGLFVCDNELBWNY-VIFPVBQESA-N -1 0 321.341 -0.712 20 0 DBADRM CC(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001366784318 983999319 /nfs/dbraw/zinc/99/93/19/983999319.db2.gz CWQHXENYFFHJPT-PHIMTYICSA-N -1 0 322.369 -0.836 20 0 DBADRM O=C(CCc1ccncc1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366928584 984066738 /nfs/dbraw/zinc/06/67/38/984066738.db2.gz BNOAYEOKPRRROQ-UHFFFAOYSA-N -1 0 302.338 -0.162 20 0 DBADRM CO[C@@H](C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC001366974500 984096149 /nfs/dbraw/zinc/09/61/49/984096149.db2.gz VCGJITAOERCPPF-GFCCVEGCSA-N -1 0 309.370 -0.127 20 0 DBADRM O=C(COCC(F)F)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001366993419 984105308 /nfs/dbraw/zinc/10/53/08/984105308.db2.gz KWXHOGZFCHVPFI-YUMQZZPRSA-N -1 0 317.296 -0.423 20 0 DBADRM CCNC(=O)CN1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001367058084 984173088 /nfs/dbraw/zinc/17/30/88/984173088.db2.gz XCNJJOSLEHUWHM-JTQLQIEISA-N -1 0 309.370 -0.294 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CN[C@@H](C)c2nnnn2C)c1[O-] ZINC001367357469 984282695 /nfs/dbraw/zinc/28/26/95/984282695.db2.gz YZVNWSLURCZZPU-APPZFPTMSA-N -1 0 322.373 -0.241 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)Cc2nnn(C)n2)c1[O-] ZINC001367506256 984326455 /nfs/dbraw/zinc/32/64/55/984326455.db2.gz HPZROVUNASCCFW-UHFFFAOYSA-N -1 0 308.346 -0.849 20 0 DBADRM CN(CCF)CCN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001367519963 984333355 /nfs/dbraw/zinc/33/33/55/984333355.db2.gz VBUWXGXUROUHGH-UHFFFAOYSA-N -1 0 301.322 -0.425 20 0 DBADRM CN(CCN(C)C(=O)C[C@H]1CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001367542773 984341970 /nfs/dbraw/zinc/34/19/70/984341970.db2.gz RSELYAAHFJRXCZ-SECBINFHSA-N -1 0 310.358 -0.931 20 0 DBADRM C[C@H](CNCc1nccs1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001367713122 984556434 /nfs/dbraw/zinc/55/64/34/984556434.db2.gz VYCDCSLVKXSZHD-SSDOTTSWSA-N -1 0 312.355 -0.560 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1ccncn1 ZINC001367800313 984625482 /nfs/dbraw/zinc/62/54/82/984625482.db2.gz BFHMGRVTQNZVOW-JTQLQIEISA-N -1 0 319.369 -0.130 20 0 DBADRM Cc1nn(C)cc1CC(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001367801780 984632414 /nfs/dbraw/zinc/63/24/14/984632414.db2.gz FVASZIFJOYACRS-SECBINFHSA-N -1 0 321.385 -0.269 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1n[nH]c2c1CCC2 ZINC001367824114 984663177 /nfs/dbraw/zinc/66/31/77/984663177.db2.gz REEPMJQUXLSKJK-QMMMGPOBSA-N -1 0 319.369 -0.028 20 0 DBADRM C[C@H](CN(C)CC(N)=O)NC(=O)c1n[n-]c2ccccc2c1=O ZINC001367833297 984683306 /nfs/dbraw/zinc/68/33/06/984683306.db2.gz QOBWASNEUJEREH-SECBINFHSA-N -1 0 317.349 -0.129 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368162719 984891372 /nfs/dbraw/zinc/89/13/72/984891372.db2.gz MNFXOWFLFFKWIY-AMIZOPFISA-N -1 0 310.358 -0.898 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)c2ccn(C)c2)c1[O-] ZINC001533228885 1015080778 /nfs/dbraw/zinc/08/07/78/1015080778.db2.gz KHUXTLUMYOZEIW-JTQLQIEISA-N -1 0 321.337 -0.717 20 0 DBADRM CCN1CCO[C@H](C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])C1 ZINC001596442322 1017147220 /nfs/dbraw/zinc/14/72/20/1017147220.db2.gz HZWFSSDVYGDSES-MNOVXSKESA-N -1 0 316.354 -0.570 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001368592268 985292748 /nfs/dbraw/zinc/29/27/48/985292748.db2.gz WXRMRHTXQPBQMZ-BDAKNGLRSA-N -1 0 311.342 -0.995 20 0 DBADRM CN1C[C@H](NC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001368709504 985367254 /nfs/dbraw/zinc/36/72/54/985367254.db2.gz XURNBBDRZVMRBG-DTWKUNHWSA-N -1 0 308.342 -0.370 20 0 DBADRM CC(C)C(=O)N1CCC[C@H](N(CCO)Cc2n[nH]c(=O)[n-]2)C1 ZINC001368720579 985376728 /nfs/dbraw/zinc/37/67/28/985376728.db2.gz WERQTQOHUSEZDZ-NSHDSACASA-N -1 0 311.386 -0.048 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NCc2nnnn2C)c1[O-] ZINC001368849056 985507703 /nfs/dbraw/zinc/50/77/03/985507703.db2.gz WCVVYZUJWUDLLY-RNFRBKRXSA-N -1 0 308.346 -0.756 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001368956215 985599519 /nfs/dbraw/zinc/59/95/19/985599519.db2.gz BKKOEJAYLQHVFN-IVZWLZJFSA-N -1 0 319.369 -0.026 20 0 DBADRM Cc1cc(OCC(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001368964701 985612995 /nfs/dbraw/zinc/61/29/95/985612995.db2.gz XBNHLYHJHJJFBU-QMMMGPOBSA-N -1 0 324.341 -0.178 20 0 DBADRM C[C@H](CNC(=O)C[C@@H]1CCCC(=O)N1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001368966706 985617469 /nfs/dbraw/zinc/61/74/69/985617469.db2.gz XDRDJZDTUWYYDB-ZJUUUORDSA-N -1 0 324.385 -0.494 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001369029611 985675987 /nfs/dbraw/zinc/67/59/87/985675987.db2.gz BPLFOYRBMNFXLF-URLYPYJESA-N -1 0 321.381 -0.391 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001533356540 1015155768 /nfs/dbraw/zinc/15/57/68/1015155768.db2.gz WDUPWUMOUVHNFK-KHVQUVQLSA-N -1 0 309.326 -0.866 20 0 DBADRM CC[C@H](C)C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001533381879 1015161723 /nfs/dbraw/zinc/16/17/23/1015161723.db2.gz KDVYLRLHEPHXDV-ZJELKQJVSA-N -1 0 309.326 -0.269 20 0 DBADRM Cc1cnc(CN[C@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001369320099 985879205 /nfs/dbraw/zinc/87/92/05/985879205.db2.gz GYGVMCNHFKREJS-VIFPVBQESA-N -1 0 309.326 -0.399 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2ncccn2)c1[O-] ZINC001369322061 985883389 /nfs/dbraw/zinc/88/33/89/985883389.db2.gz NDQDQSQZRCMYRU-SECBINFHSA-N -1 0 306.326 -0.906 20 0 DBADRM NC(=O)C([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)C(N)=O ZINC001533475118 1015182451 /nfs/dbraw/zinc/18/24/51/1015182451.db2.gz CZEBNFPBFFXYOW-UHFFFAOYSA-N -1 0 307.203 -0.488 20 0 DBADRM CC(=O)c1cccc(OCC(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001589310940 986088447 /nfs/dbraw/zinc/08/84/47/986088447.db2.gz FIBCAVKNEKOHDB-UHFFFAOYSA-N -1 0 308.290 -0.415 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)CCC(F)F)C2)nc1=O ZINC001491036671 1015200714 /nfs/dbraw/zinc/20/07/14/1015200714.db2.gz RHYDEWRFKCWOBL-OCAPTIKFSA-N -1 0 303.313 -0.110 20 0 DBADRM CCC(=O)NC[C@H](C)N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001369758850 986349151 /nfs/dbraw/zinc/34/91/51/986349151.db2.gz KGEHTYWAYWKNOD-VIFPVBQESA-N -1 0 313.358 -0.157 20 0 DBADRM CC(F)(F)C(=O)NCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001491065215 1015212571 /nfs/dbraw/zinc/21/25/71/1015212571.db2.gz MQALLZITNAIKRP-UHFFFAOYSA-N -1 0 321.284 -0.643 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001369823667 986387739 /nfs/dbraw/zinc/38/77/39/986387739.db2.gz HJECVXLGBSZQIL-SNXWAXQRSA-N -1 0 322.365 -0.107 20 0 DBADRM O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1=CCCC1 ZINC001369902390 986445697 /nfs/dbraw/zinc/44/56/97/986445697.db2.gz SVTZPMCBVKEFIT-UHFFFAOYSA-N -1 0 320.397 -0.146 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CCO)(NC(=O)[C@@H]3C[C@@H]3C)C2)c1[O-] ZINC001369980714 986523585 /nfs/dbraw/zinc/52/35/85/986523585.db2.gz XZEOYQFNIUABNZ-WCBMZHEXSA-N -1 0 322.365 -0.227 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC1(C)C ZINC001370558313 986800895 /nfs/dbraw/zinc/80/08/95/986800895.db2.gz DZBBKFDMSPEVDQ-JGVFFNPUSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC1(C)C ZINC001370558311 986801031 /nfs/dbraw/zinc/80/10/31/986801031.db2.gz DZBBKFDMSPEVDQ-HTQZYQBOSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@H](F)C(C)C)c1[O-] ZINC001370676678 986875647 /nfs/dbraw/zinc/87/56/47/986875647.db2.gz DSOMEQXCRYRXGE-DTWKUNHWSA-N -1 0 316.333 -0.375 20 0 DBADRM CCCC(=O)NC[C@@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001534652827 1015260996 /nfs/dbraw/zinc/26/09/96/1015260996.db2.gz HDJNYWBCOGLBAV-VIFPVBQESA-N -1 0 308.338 -0.383 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001370758448 986970391 /nfs/dbraw/zinc/97/03/91/986970391.db2.gz MFMWTHJVYRDTLI-NXEZZACHSA-N -1 0 324.385 -0.650 20 0 DBADRM O=C(Cc1ccccc1F)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001370791703 987009567 /nfs/dbraw/zinc/00/95/67/987009567.db2.gz QVVGVKUQTRWQNI-SNVBAGLBSA-N -1 0 321.312 -0.607 20 0 DBADRM Cc1ccc(C(=O)NC[C@H](CO)NC(=O)c2cn[nH]n2)cc1C ZINC001370793519 987011751 /nfs/dbraw/zinc/01/17/51/987011751.db2.gz VKESSFKPBAHOIA-GFCCVEGCSA-N -1 0 317.349 -0.058 20 0 DBADRM Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)c2cn[nH]n2)cc1C ZINC001370793522 987012370 /nfs/dbraw/zinc/01/23/70/987012370.db2.gz VKESSFKPBAHOIA-LBPRGKRZSA-N -1 0 317.349 -0.058 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001370803503 987022890 /nfs/dbraw/zinc/02/28/90/987022890.db2.gz DVZNSFWWPKLOSZ-KXUCPTDWSA-N -1 0 310.354 -0.323 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNC(=O)C(F)F)c1[O-] ZINC001370978030 987098160 /nfs/dbraw/zinc/09/81/60/987098160.db2.gz DWYROQKSYPQNPG-LURJTMIESA-N -1 0 306.269 -0.762 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)C(F)F)c1[O-] ZINC001371032671 987180846 /nfs/dbraw/zinc/18/08/46/987180846.db2.gz BPOXPIUGXAFVAW-SSDOTTSWSA-N -1 0 320.296 -0.420 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)c1[O-] ZINC001491232427 1015301721 /nfs/dbraw/zinc/30/17/21/1015301721.db2.gz QBNYEOZQMCZGRZ-RKDXNWHRSA-N -1 0 318.337 -0.203 20 0 DBADRM CC(C)(C)C(=O)N1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001534950301 1015311224 /nfs/dbraw/zinc/31/12/24/1015311224.db2.gz LEGOWFVVZATHAO-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)CC(C)(C)O)C2)c1[O-] ZINC001372002374 987599016 /nfs/dbraw/zinc/59/90/16/987599016.db2.gz CEJKGHQUGYBGSP-SECBINFHSA-N -1 0 310.354 -0.085 20 0 DBADRM COc1nn(C)cc1C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001372056767 987631947 /nfs/dbraw/zinc/63/19/47/987631947.db2.gz BXKQSZBQPRWXQF-UHFFFAOYSA-N -1 0 309.330 -0.886 20 0 DBADRM COc1cc(=O)[nH]cc1C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001372116439 987651369 /nfs/dbraw/zinc/65/13/69/987651369.db2.gz KZZZHQSVRDORIE-UHFFFAOYSA-N -1 0 322.325 -0.519 20 0 DBADRM CN(CCNC(=O)c1ccc(C(N)=O)s1)Cc1n[nH]c(=O)[n-]1 ZINC001372157706 987662191 /nfs/dbraw/zinc/66/21/91/987662191.db2.gz WWNZZCANEPMJAD-UHFFFAOYSA-N -1 0 324.366 -0.468 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NCCNC(=O)[C@H]1CC1(F)F ZINC001491270654 1015326465 /nfs/dbraw/zinc/32/64/65/1015326465.db2.gz DHVJALDIIGGCOT-SSDOTTSWSA-N -1 0 300.265 -0.008 20 0 DBADRM CCN(CCNC(=O)c1ccc2oc(=O)nc-2[n-]1)CC(N)=O ZINC001372450248 987766095 /nfs/dbraw/zinc/76/60/95/987766095.db2.gz AQGXOEASUUIZAG-UHFFFAOYSA-N -1 0 307.310 -0.535 20 0 DBADRM Cn1[nH]c(CN2CCC[C@@H]2CNC(=O)CC2(O)CCC2)nc1=O ZINC001372508881 987787324 /nfs/dbraw/zinc/78/73/24/987787324.db2.gz SULFSYXVPJCORG-LLVKDONJSA-N -1 0 323.397 -0.506 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)CCn2cccn2)c1[O-] ZINC001372779291 987873948 /nfs/dbraw/zinc/87/39/48/987873948.db2.gz LEPCAHBRAYYLPY-VIFPVBQESA-N -1 0 320.353 -0.055 20 0 DBADRM CC[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001372786090 987878641 /nfs/dbraw/zinc/87/86/41/987878641.db2.gz MAJMGHIEJMDNSI-DTWKUNHWSA-N -1 0 310.354 -0.234 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@@]2(C)CNC(=O)C2)c1[O-] ZINC001372814094 987892692 /nfs/dbraw/zinc/89/26/92/987892692.db2.gz CTXPFNWJAPEXQQ-NXSYQRQQSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2csnn2)c1[O-] ZINC001372825857 987899769 /nfs/dbraw/zinc/89/97/69/987899769.db2.gz SMSIYBAIPAXTOD-RXMQYKEDSA-N -1 0 310.339 -0.176 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CC1(C)C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001372852889 987918768 /nfs/dbraw/zinc/91/87/68/987918768.db2.gz NVBFRUPZBCSSEL-SCZZXKLOSA-N -1 0 322.365 -0.234 20 0 DBADRM O=C(CC1CCC1)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001535188669 1015348425 /nfs/dbraw/zinc/34/84/25/1015348425.db2.gz XGIONOYRHPUZSP-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM C[C@H](CNC(=O)CC(C)(F)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001373072102 988077432 /nfs/dbraw/zinc/07/74/32/988077432.db2.gz RCXAYLALNUERLW-ZCFIWIBFSA-N -1 0 321.284 -0.645 20 0 DBADRM CC(C)C(=O)NC[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001373174376 988137721 /nfs/dbraw/zinc/13/77/21/988137721.db2.gz WQFGICYWIMIAFA-VIFPVBQESA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)CNC(=O)C2CC2)c1[O-] ZINC001373401606 988316148 /nfs/dbraw/zinc/31/61/48/988316148.db2.gz PKAHUQRJWGWETJ-UHFFFAOYSA-N -1 0 323.353 -0.862 20 0 DBADRM CCCNC(=O)[C@@H](C)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001373420437 988336362 /nfs/dbraw/zinc/33/63/62/988336362.db2.gz QIIBGHHXZRBDQW-SECBINFHSA-N -1 0 309.370 -0.248 20 0 DBADRM COCC(=O)NC1(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC001535632922 1015383821 /nfs/dbraw/zinc/38/38/21/1015383821.db2.gz ZDRNBVRTFYKQBV-UHFFFAOYSA-N -1 0 320.305 -0.047 20 0 DBADRM COCCC1(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001373508531 988411694 /nfs/dbraw/zinc/41/16/94/988411694.db2.gz CFMCNJGIVGFDOO-UHFFFAOYSA-N -1 0 309.370 -0.125 20 0 DBADRM O=C(CCCn1ccnc1)NCCNC(=O)c1cnc[nH]c1=O ZINC001491395539 1015388342 /nfs/dbraw/zinc/38/83/42/1015388342.db2.gz WPSCCFNDZFMSAL-UHFFFAOYSA-N -1 0 318.337 -0.295 20 0 DBADRM Cc1cc(C(=O)N(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001373598258 988480774 /nfs/dbraw/zinc/48/07/74/988480774.db2.gz GFYLQRSKNREXID-UHFFFAOYSA-N -1 0 323.309 -0.521 20 0 DBADRM Cn1cncc1CCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373614340 988492283 /nfs/dbraw/zinc/49/22/83/988492283.db2.gz PMXXDGWNAYVJMV-JTQLQIEISA-N -1 0 319.369 -0.433 20 0 DBADRM COC[C@H](OC)C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373681177 988547270 /nfs/dbraw/zinc/54/72/70/988547270.db2.gz JMOXTCYWPIVEDG-UWVGGRQHSA-N -1 0 313.358 -0.796 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])C(C)=O ZINC001596526297 1017154526 /nfs/dbraw/zinc/15/45/26/1017154526.db2.gz MHVYGANJZQKNBW-BBBLOLIVSA-N -1 0 301.295 -0.809 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCOC1CCOCC1 ZINC001535989711 1015409873 /nfs/dbraw/zinc/40/98/73/1015409873.db2.gz QEOOBYZQKLNXMB-UHFFFAOYSA-N -1 0 321.337 -0.617 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N(CC(=O)[O-])CC(=O)OC)C(C)=O ZINC001596525825 1017154738 /nfs/dbraw/zinc/15/47/38/1017154738.db2.gz GZWPNTXSGJMDIA-SECBINFHSA-N -1 0 317.294 -0.769 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3ccnnc3)CC2)c1[O-] ZINC001536046133 1015412125 /nfs/dbraw/zinc/41/21/25/1015412125.db2.gz CNVBWOHOECYCPK-UHFFFAOYSA-N -1 0 316.321 -0.094 20 0 DBADRM CC1(C(=O)NC[C@H]2CCCN2C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001374017636 988731441 /nfs/dbraw/zinc/73/14/41/988731441.db2.gz KCCUTXOTPPPNNA-MRVPVSSYSA-N -1 0 321.337 -0.196 20 0 DBADRM Cn1ccc(CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001374076029 988769761 /nfs/dbraw/zinc/76/97/61/988769761.db2.gz IFJQVZNHRVUNKR-UHFFFAOYSA-N -1 0 305.342 -0.869 20 0 DBADRM CCO[C@@H](C)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001374125462 988793482 /nfs/dbraw/zinc/79/34/82/988793482.db2.gz REBZAVRNTMJJDJ-VHSXEESVSA-N -1 0 313.358 -0.748 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N[C@](C)(COC)C(=O)[O-])C(C)=O ZINC001596526233 1017155016 /nfs/dbraw/zinc/15/50/16/1017155016.db2.gz LQDVLSHZMJQJSU-NOZJJQNGSA-N -1 0 303.311 -0.249 20 0 DBADRM COCCC(=O)N(C)CCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001374450766 988879106 /nfs/dbraw/zinc/87/91/06/988879106.db2.gz QBCBLEAXHGNTKC-UHFFFAOYSA-N -1 0 321.381 -0.051 20 0 DBADRM CN(CCN(C)C(=O)Cc1ccn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001374487588 988887180 /nfs/dbraw/zinc/88/71/80/988887180.db2.gz ATHUABHIGAAAEO-UHFFFAOYSA-N -1 0 307.358 -0.623 20 0 DBADRM C[C@@H](C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1)[C@H]1CCC(=O)N1 ZINC001374533303 988899168 /nfs/dbraw/zinc/89/91/68/988899168.db2.gz GEKXLANPYJGHSO-NXEZZACHSA-N -1 0 324.385 -0.685 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001374534644 988906442 /nfs/dbraw/zinc/90/64/42/988906442.db2.gz NZMNLFHDIWTMEJ-SNVBAGLBSA-N -1 0 312.374 -0.685 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1 ZINC001597702336 988926755 /nfs/dbraw/zinc/92/67/55/988926755.db2.gz DFWMJUVGMLONHN-PSASIEDQSA-N -1 0 322.321 -0.729 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001597702339 988926905 /nfs/dbraw/zinc/92/69/05/988926905.db2.gz DFWMJUVGMLONHN-WPRPVWTQSA-N -1 0 322.321 -0.729 20 0 DBADRM CCc1ncc(S(=O)(=O)N(CC(=O)[O-])CC(=O)OC)s1 ZINC001597702446 988927823 /nfs/dbraw/zinc/92/78/23/988927823.db2.gz HIVPEMHQKQBFAX-UHFFFAOYSA-N -1 0 322.364 -0.046 20 0 DBADRM CCc1nn(C)c(CC)c1CNC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001597715643 988978633 /nfs/dbraw/zinc/97/86/33/988978633.db2.gz AEYTZGDYBMLJMH-UHFFFAOYSA-N -1 0 310.354 -0.114 20 0 DBADRM CCc1nn(C)cc1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597722565 988999258 /nfs/dbraw/zinc/99/92/58/988999258.db2.gz BMOPTTLJMGNLNU-VHSXEESVSA-N -1 0 320.349 -0.356 20 0 DBADRM CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001596514997 1017155125 /nfs/dbraw/zinc/15/51/25/1017155125.db2.gz BWBQMSSGIFJZNO-NSHDSACASA-N -1 0 320.323 -0.695 20 0 DBADRM CC[C@H](C)[C@@H](C)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001374726427 989172348 /nfs/dbraw/zinc/17/23/48/989172348.db2.gz MDXAYSMTSJFBHW-JGVFFNPUSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc3n[nH]c(=O)n3c2)C[C@@H](C(=O)[O-])O1 ZINC001599863811 989210546 /nfs/dbraw/zinc/21/05/46/989210546.db2.gz YBQUKRGYJGODED-APPZFPTMSA-N -1 0 306.278 -0.251 20 0 DBADRM C[C@@H]1CN(C(=O)c2cccc(-n3cncn3)n2)C[C@@H](C(=O)[O-])O1 ZINC001599863771 989210595 /nfs/dbraw/zinc/21/05/95/989210595.db2.gz UEHFEOOVPVMNDL-KOLCDFICSA-N -1 0 317.305 -0.024 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccnc(S(N)(=O)=O)c2)C[C@H]1C(=O)[O-] ZINC001599864026 989213969 /nfs/dbraw/zinc/21/39/69/989213969.db2.gz BGULMSOGZQSVRD-VXNVDRBHSA-N -1 0 313.335 -0.478 20 0 DBADRM C[C@@H]1CN(CCc2cn(CC(=O)[O-])nn2)CCS1(=O)=O ZINC001599865904 989256085 /nfs/dbraw/zinc/25/60/85/989256085.db2.gz WZJAVMIXIDFSRB-SECBINFHSA-N -1 0 302.356 -0.976 20 0 DBADRM CCC[C@H](C)C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001374873477 989275744 /nfs/dbraw/zinc/27/57/44/989275744.db2.gz KUEHXKASMCENGT-QMMMGPOBSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)Cc2ncnn2C)c1[O-] ZINC001375021984 989367101 /nfs/dbraw/zinc/36/71/01/989367101.db2.gz PBBDRRNGWURQDJ-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001375026421 989369472 /nfs/dbraw/zinc/36/94/72/989369472.db2.gz KFYRZZQZTCIEMK-RKDXNWHRSA-N -1 0 323.353 -0.673 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cnn(C)c1N ZINC001375033341 989376270 /nfs/dbraw/zinc/37/62/70/989376270.db2.gz OZLZEAYEYMZCSV-ZETCQYMHSA-N -1 0 308.346 -0.924 20 0 DBADRM C[C@@H](CN(C)CCF)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001375119374 989440321 /nfs/dbraw/zinc/44/03/21/989440321.db2.gz LCAJBWUMOUKSJA-VIFPVBQESA-N -1 0 310.333 -0.523 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001375142308 989454341 /nfs/dbraw/zinc/45/43/41/989454341.db2.gz JDDNSOWBXUHJLJ-QMMMGPOBSA-N -1 0 307.358 -0.279 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC(C)C1 ZINC001375170983 989465357 /nfs/dbraw/zinc/46/53/57/989465357.db2.gz PSLJUWIFBPBUIU-HACHORDNSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(F)F ZINC001375170058 989466313 /nfs/dbraw/zinc/46/63/13/989466313.db2.gz KYXFOSJCWGXFKF-LURJTMIESA-N -1 0 321.284 -0.645 20 0 DBADRM Cn1cc(CC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001375298469 989537265 /nfs/dbraw/zinc/53/72/65/989537265.db2.gz VODVAPPTHOBANF-SNVBAGLBSA-N -1 0 305.342 -0.823 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2CC(=O)NCC2CC2)c1[O-] ZINC001375301888 989541338 /nfs/dbraw/zinc/54/13/38/989541338.db2.gz LAVAJAONYWZHLD-NSHDSACASA-N -1 0 321.381 -0.246 20 0 DBADRM CCc1n[nH]cc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001375437702 989605049 /nfs/dbraw/zinc/60/50/49/989605049.db2.gz UTXYBBZRYXGHBJ-UHFFFAOYSA-N -1 0 305.342 -0.152 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@@H](CNC(=O)COCC3CC3)C2)nc1=O ZINC001375478629 989619410 /nfs/dbraw/zinc/61/94/10/989619410.db2.gz GSPACMBPIMKESB-TXEJJXNPSA-N -1 0 323.397 -0.481 20 0 DBADRM CC(=O)NC[C@H]1CCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001375504999 989635844 /nfs/dbraw/zinc/63/58/44/989635844.db2.gz JZAQRIDRWCDZQZ-SNVBAGLBSA-N -1 0 311.342 -0.403 20 0 DBADRM Cc1ncc(CNC2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)o1 ZINC001375535239 989651963 /nfs/dbraw/zinc/65/19/63/989651963.db2.gz CWSPQJSPFZFNIZ-UHFFFAOYSA-N -1 0 322.325 -0.576 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@](O)(CNC(=O)C3CC3)C2)c1[O-] ZINC001537282022 1015495425 /nfs/dbraw/zinc/49/54/25/1015495425.db2.gz LIXGYXFKQZONDT-AWEZNQCLSA-N -1 0 308.338 -0.473 20 0 DBADRM CC(C)CCC(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001491582490 1015503963 /nfs/dbraw/zinc/50/39/63/1015503963.db2.gz SCOQBEVZDVFBDY-UHFFFAOYSA-N -1 0 311.342 -0.045 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@]2(O)CCN(C(=O)C(F)F)C2)c1[O-] ZINC001537337445 1015511000 /nfs/dbraw/zinc/51/10/00/1015511000.db2.gz ISICOKZZIKBRFQ-GFCCVEGCSA-N -1 0 318.280 -0.618 20 0 DBADRM C[C@]1(NC(=O)COCC(F)F)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375835923 989814491 /nfs/dbraw/zinc/81/44/91/989814491.db2.gz IKOSPDFRBLLZCZ-LBPRGKRZSA-N -1 0 319.312 -0.127 20 0 DBADRM O=C(CCCF)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376045204 989855690 /nfs/dbraw/zinc/85/56/90/989855690.db2.gz BPMAJYBCIWLICN-GFCCVEGCSA-N -1 0 301.322 -0.687 20 0 DBADRM CCC1(C(=O)NC[C@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001376077014 989868803 /nfs/dbraw/zinc/86/88/03/989868803.db2.gz HIAZDWXMMZDKOB-CQSZACIVSA-N -1 0 309.370 -0.247 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cn(-c2cccc(OC)c2)nn1 ZINC001539090969 1015516681 /nfs/dbraw/zinc/51/66/81/1015516681.db2.gz GXMAIHMGLQCNQW-UHFFFAOYSA-N -1 0 305.294 -0.317 20 0 DBADRM CO[N-]C(=O)CNC(=O)CC1(Cn2cnnn2)CCCCC1 ZINC001538747834 1015517656 /nfs/dbraw/zinc/51/76/56/1015517656.db2.gz SSDKQTKYTUAAND-UHFFFAOYSA-N -1 0 310.358 -0.193 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C[C@H]3CCOC3)C2)c1[O-] ZINC001376168819 989928570 /nfs/dbraw/zinc/92/85/70/989928570.db2.gz QCBKDVSKQZOZKL-SNVBAGLBSA-N -1 0 310.354 -0.763 20 0 DBADRM CC(F)(F)CCC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376194852 989942282 /nfs/dbraw/zinc/94/22/82/989942282.db2.gz PQFYNEWZAYBEGD-UHFFFAOYSA-N -1 0 319.312 -0.391 20 0 DBADRM C[C@@H]1CC[C@@H](CC(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001376231226 989968728 /nfs/dbraw/zinc/96/87/28/989968728.db2.gz XLULRQVQVZQVTB-GHMZBOCLSA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC[C@@H](F)C1 ZINC001376234606 989970499 /nfs/dbraw/zinc/97/04/99/989970499.db2.gz KMOPWOKDYOBVQX-RKDXNWHRSA-N -1 0 313.333 -0.689 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCc1ccc(-n2cncn2)nc1 ZINC001540787559 1015527197 /nfs/dbraw/zinc/52/71/97/1015527197.db2.gz NRUXZADEFMTYAI-UHFFFAOYSA-N -1 0 313.325 -0.186 20 0 DBADRM C=CC(=O)NCCNC(=O)c1nc[n-]c(=O)c1Br ZINC001542903075 1015533744 /nfs/dbraw/zinc/53/37/44/1015533744.db2.gz FPDOIHXIEOSSSR-UHFFFAOYSA-N -1 0 315.127 -0.023 20 0 DBADRM CC(C)C[C@]1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CCNC1=O ZINC001542946186 1015534295 /nfs/dbraw/zinc/53/42/95/1015534295.db2.gz KZJGVCCXBAMHEP-IINYFYTJSA-N -1 0 322.369 -0.348 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001376546614 990171532 /nfs/dbraw/zinc/17/15/32/990171532.db2.gz QKCMCJMXPUCASA-APPZFPTMSA-N -1 0 314.342 -0.944 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C(C)C)c1[O-] ZINC001376580779 990199111 /nfs/dbraw/zinc/19/91/11/990199111.db2.gz GXIGSXZIWOEHQU-SCZZXKLOSA-N -1 0 312.370 -0.077 20 0 DBADRM COCCC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001376608237 990221431 /nfs/dbraw/zinc/22/14/31/990221431.db2.gz HTCMIUYVCOFBIM-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM CC1CC(C(=O)NCCCNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001491661063 1015549802 /nfs/dbraw/zinc/54/98/02/1015549802.db2.gz WGTGWQIFKAVRAH-UHFFFAOYSA-N -1 0 311.342 -0.642 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2ncccc2S(C)(=O)=O)C1=O ZINC001545869168 1015552992 /nfs/dbraw/zinc/55/29/92/1015552992.db2.gz DQJKOKVIHUXRNR-UHFFFAOYSA-N -1 0 312.307 -0.976 20 0 DBADRM CCC1(C(=O)NC[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001377187002 990475635 /nfs/dbraw/zinc/47/56/35/990475635.db2.gz QKNLZRXOACLWGJ-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(=O)NC1(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)CCCC1 ZINC001377231520 990494805 /nfs/dbraw/zinc/49/48/05/990494805.db2.gz BHIIRTISJLQKMG-UHFFFAOYSA-N -1 0 324.385 -0.493 20 0 DBADRM CCN(CCNC(=O)c1ccc2oc(=O)nc-2[n-]1)[C@H](C)C(N)=O ZINC001377361106 990546453 /nfs/dbraw/zinc/54/64/53/990546453.db2.gz DBKIAVXLGQJFMM-MRVPVSSYSA-N -1 0 321.337 -0.146 20 0 DBADRM CNC(=O)CCCC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001377393772 990568382 /nfs/dbraw/zinc/56/83/82/990568382.db2.gz YISMSPZOQFGELI-SNVBAGLBSA-N -1 0 324.385 -0.493 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(C)F ZINC001377401896 990576275 /nfs/dbraw/zinc/57/62/75/990576275.db2.gz JWWGLWYXLBXWAW-LURJTMIESA-N -1 0 303.294 -0.942 20 0 DBADRM O=C(C[C@H]1CCNC1=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001377529312 990642834 /nfs/dbraw/zinc/64/28/34/990642834.db2.gz PGTRPARXNGTLHQ-SECBINFHSA-N -1 0 322.369 -0.883 20 0 DBADRM COCCN1C(=O)N[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])CC[C@@H]21 ZINC001548509156 1015580551 /nfs/dbraw/zinc/58/05/51/1015580551.db2.gz UCCHILGBOIGEAM-UWVGGRQHSA-N -1 0 323.353 -0.322 20 0 DBADRM COC[C@H](OC)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001377861878 990761999 /nfs/dbraw/zinc/76/19/99/990761999.db2.gz AHJQJXPSLYPYJL-ZJUUUORDSA-N -1 0 313.358 -0.748 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001377861875 990762213 /nfs/dbraw/zinc/76/22/13/990762213.db2.gz AHJQJXPSLYPYJL-NXEZZACHSA-N -1 0 313.358 -0.748 20 0 DBADRM CNC(=O)CCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378052382 990840083 /nfs/dbraw/zinc/84/00/83/990840083.db2.gz HDWUJCYOPFYSPU-VIFPVBQESA-N -1 0 310.358 -0.883 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1C(=O)C1CC1 ZINC001378419421 990967330 /nfs/dbraw/zinc/96/73/30/990967330.db2.gz LSAMNDXYGQQGLV-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(CCCF)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001378460612 990981095 /nfs/dbraw/zinc/98/10/95/990981095.db2.gz BOEKNLMUCUBPRA-SSDOTTSWSA-N -1 0 313.289 -0.637 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)Cc2c[nH]cn2)c1[O-] ZINC001378565139 991040158 /nfs/dbraw/zinc/04/01/58/991040158.db2.gz LHXSTSGGYKPRMU-SNVBAGLBSA-N -1 0 318.337 -0.280 20 0 DBADRM O=C(COCC1CC1)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001378702062 991120464 /nfs/dbraw/zinc/12/04/64/991120464.db2.gz NXBHEJWIWQLMTN-CNDDSTCGSA-N -1 0 321.381 -0.269 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)Cc2nc(=O)n(C)[nH]2)c1[O-] ZINC001379035411 991295058 /nfs/dbraw/zinc/29/50/58/991295058.db2.gz GSKXMTXTFOCYCT-UHFFFAOYSA-N -1 0 323.357 -0.950 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)[C@@H]2CCN(C)C2=O)c1[O-] ZINC001379044261 991298706 /nfs/dbraw/zinc/29/87/06/991298706.db2.gz XTSZJISZKRJJLK-SNVBAGLBSA-N -1 0 309.370 -0.342 20 0 DBADRM CN(CCN(C)C(=O)COCC(F)F)Cc1n[nH]c(=O)[n-]1 ZINC001379074833 991319271 /nfs/dbraw/zinc/31/92/71/991319271.db2.gz VRIIWTJYPIFMJN-UHFFFAOYSA-N -1 0 307.301 -0.318 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NCc1ccon1 ZINC001379182659 991390745 /nfs/dbraw/zinc/39/07/45/991390745.db2.gz YKKKRUYYCIGKST-ZETCQYMHSA-N -1 0 308.298 -0.479 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NCc1ccon1 ZINC001379182655 991391543 /nfs/dbraw/zinc/39/15/43/991391543.db2.gz YKKKRUYYCIGKST-SSDOTTSWSA-N -1 0 308.298 -0.479 20 0 DBADRM CCOC(=O)[C@H](CSC)NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001596533940 1017158167 /nfs/dbraw/zinc/15/81/67/1017158167.db2.gz DAKUPFYZTLGGCB-SFYZADRCSA-N -1 0 313.397 -0.079 20 0 DBADRM Cc1nc(CNC[C@H](O)CNC(=O)c2[nH]nc(C)c2[O-])oc1C ZINC001379187578 991395230 /nfs/dbraw/zinc/39/52/30/991395230.db2.gz IHKJWDSSKQNNTK-JTQLQIEISA-N -1 0 323.353 -0.091 20 0 DBADRM CCOC(=O)[C@H](N)C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001596533868 1017158484 /nfs/dbraw/zinc/15/84/84/1017158484.db2.gz BMCJOVQMBWRNJN-MRVPVSSYSA-N -1 0 315.713 -0.060 20 0 DBADRM CN(C(=O)CCC1CC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001379316979 991539726 /nfs/dbraw/zinc/53/97/26/991539726.db2.gz PPUPOZHNNADJLO-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM CCOC(=O)[C@H](CC)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001596526507 1017158574 /nfs/dbraw/zinc/15/85/74/1017158574.db2.gz UTOVPHRCQFGMJE-BDAKNGLRSA-N -1 0 321.351 -0.714 20 0 DBADRM CSC[C@@H](C)C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001379365476 991589515 /nfs/dbraw/zinc/58/95/15/991589515.db2.gz DRSAPNYGNHJXJL-HTQZYQBOSA-N -1 0 303.388 -0.924 20 0 DBADRM Cc1ccn(C)c1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001379389555 991616453 /nfs/dbraw/zinc/61/64/53/991616453.db2.gz LFSIAOJJRXDPHM-VIFPVBQESA-N -1 0 308.342 -0.962 20 0 DBADRM Cc1nc(CNC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)c(C)o1 ZINC001379465428 991691464 /nfs/dbraw/zinc/69/14/64/991691464.db2.gz ZWXWETLBERIASR-SSDOTTSWSA-N -1 0 324.341 -0.411 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H](C)n1cncn1 ZINC001379658403 991837992 /nfs/dbraw/zinc/83/79/92/991837992.db2.gz PRDDQMZKQUHKEV-BDAKNGLRSA-N -1 0 308.346 -0.701 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1ccc(=O)n(C)c1 ZINC001379701982 991856656 /nfs/dbraw/zinc/85/66/56/991856656.db2.gz GEBGGKJPIBBSGZ-VIFPVBQESA-N -1 0 320.353 -0.541 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCCn1cncn1 ZINC001379765605 991892188 /nfs/dbraw/zinc/89/21/88/991892188.db2.gz HCNALTHLJWXVDH-JTQLQIEISA-N -1 0 322.373 -0.481 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)Cn1ccccc1=O ZINC001379784152 991910006 /nfs/dbraw/zinc/91/00/06/991910006.db2.gz ZFABOUAGIYMCOL-JTQLQIEISA-N -1 0 320.353 -0.691 20 0 DBADRM O=C([C@H]1COCCN1CC(F)F)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001548764103 1015671317 /nfs/dbraw/zinc/67/13/17/1015671317.db2.gz DTSYKHMTKFOAIE-RKDXNWHRSA-N -1 0 316.312 -0.519 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1Cc1cscn1 ZINC001380034696 992105396 /nfs/dbraw/zinc/10/53/96/992105396.db2.gz YVYQEQPAXKONEL-SECBINFHSA-N -1 0 324.366 -0.464 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@](O)(CNC(=O)C3CCC3)C2)c1[O-] ZINC001380086271 992130900 /nfs/dbraw/zinc/13/09/00/992130900.db2.gz BSIDUVYAKHINIR-OAHLLOKOSA-N -1 0 322.365 -0.083 20 0 DBADRM Cc1nc[nH]c1CC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001380163590 992184487 /nfs/dbraw/zinc/18/44/87/992184487.db2.gz MMZXLPHOKWDFGE-UHFFFAOYSA-N -1 0 305.342 -0.477 20 0 DBADRM CO[C@@H](C)C(=O)N(C)C1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001380218734 992202552 /nfs/dbraw/zinc/20/25/52/992202552.db2.gz UKATVRHTVLVGGM-JTQLQIEISA-N -1 0 319.365 -0.300 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)CCO1 ZINC001596585981 1017160794 /nfs/dbraw/zinc/16/07/94/1017160794.db2.gz WBMUZLMTPZLDIZ-JTQLQIEISA-N -1 0 311.294 -0.478 20 0 DBADRM Cn1nccc1[C@@H]1[C@H](NC(=O)C(C)(C)C(=O)[O-])CC(=O)N1C ZINC001549040287 1015692858 /nfs/dbraw/zinc/69/28/58/1015692858.db2.gz MYBSJLLLMNOJHU-KCJUWKMLSA-N -1 0 308.338 -0.081 20 0 DBADRM Cn1nccc1[C@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC(=O)N1C ZINC001549040431 1015693169 /nfs/dbraw/zinc/69/31/69/1015693169.db2.gz PGOBREKQMGYHBV-JDVQERKKSA-N -1 0 306.322 -0.471 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001380311931 992248399 /nfs/dbraw/zinc/24/83/99/992248399.db2.gz PJJDWVVADZHOLJ-VIFPVBQESA-N -1 0 324.385 -0.508 20 0 DBADRM CC(=O)N1CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001492026773 1015697508 /nfs/dbraw/zinc/69/75/08/1015697508.db2.gz ZZMVUFMXUKODSX-UHFFFAOYSA-N -1 0 311.342 -0.450 20 0 DBADRM CCOC(=O)C[C@H](CO)NC(=O)c1csc(C(=O)[O-])n1 ZINC001596592564 1017161119 /nfs/dbraw/zinc/16/11/19/1017161119.db2.gz MBEVDSSQHSMKNO-ZCFIWIBFSA-N -1 0 302.308 -0.115 20 0 DBADRM CCOC(=O)[C@@H]1CN([C@@H](CCC(=O)[O-])C(=O)OC)CCO1 ZINC001596585603 1017161159 /nfs/dbraw/zinc/16/11/59/1017161159.db2.gz QHKURKMUKJYLDR-UWVGGRQHSA-N -1 0 303.311 -0.343 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)NC(=O)CCCF ZINC001380501902 992338422 /nfs/dbraw/zinc/33/84/22/992338422.db2.gz QXDPUUHPWSTLFY-JGVFFNPUSA-N -1 0 317.321 -0.552 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccc1 ZINC001380510747 992341099 /nfs/dbraw/zinc/34/10/99/992341099.db2.gz FYINWRNMBJFGDD-HNNXBMFYSA-N -1 0 317.349 -0.123 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)CCO1 ZINC001596580764 1017161171 /nfs/dbraw/zinc/16/11/71/1017161171.db2.gz OBVSWPBISNQLHB-JTQLQIEISA-N -1 0 311.294 -0.628 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CCO1 ZINC001596585343 1017161181 /nfs/dbraw/zinc/16/11/81/1017161181.db2.gz MVHWZIIGZMIMQM-AEJSXWLSSA-N -1 0 301.295 -0.591 20 0 DBADRM CCOC(=O)C[C@@H](O)CN1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001596594781 1017162136 /nfs/dbraw/zinc/16/21/36/1017162136.db2.gz MNTNAGGFQQDRRB-NOZJJQNGSA-N -1 0 300.311 -0.394 20 0 DBADRM O=C(N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC001380721806 992496894 /nfs/dbraw/zinc/49/68/94/992496894.db2.gz SVJQHYVLJOKLCU-AWEZNQCLSA-N -1 0 309.370 -0.247 20 0 DBADRM CC(F)(F)C(=O)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380722953 992497429 /nfs/dbraw/zinc/49/74/29/992497429.db2.gz WQVSHLUNWDTMJR-LBPRGKRZSA-N -1 0 319.312 -0.391 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)NC[C@H](O)CC(=O)[O-])CC1 ZINC001596614833 1017162501 /nfs/dbraw/zinc/16/25/01/1017162501.db2.gz AUQCFBNWPDPQPE-MRVPVSSYSA-N -1 0 309.340 -0.773 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(c1ccnc(N3CCOCC3)n1)C2 ZINC001549298548 1015719425 /nfs/dbraw/zinc/71/94/25/1015719425.db2.gz KDJOVPCMCUBMRV-XHDPSFHLSA-N -1 0 320.349 -0.149 20 0 DBADRM Cc1cnn(CC(=O)N(C)CCCN(C)Cc2n[nH]c(=O)[n-]2)c1 ZINC001380944778 992601718 /nfs/dbraw/zinc/60/17/18/992601718.db2.gz JFBPNMMDNFSDFR-UHFFFAOYSA-N -1 0 321.385 -0.004 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCCN(C)Cc2nnnn2C)c1[O-] ZINC001380953347 992605130 /nfs/dbraw/zinc/60/51/30/992605130.db2.gz YBFIKSIXPCBGCF-UHFFFAOYSA-N -1 0 322.373 -0.459 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)c1C ZINC001549306853 1015722209 /nfs/dbraw/zinc/72/22/09/1015722209.db2.gz WEKQQHVECAZXOD-ZUZCIYMTSA-N -1 0 321.333 -0.430 20 0 DBADRM CC(=O)N(C)CC[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)C ZINC001381017908 992633454 /nfs/dbraw/zinc/63/34/54/992633454.db2.gz GCNWSXIAKOOOPN-SECBINFHSA-N -1 0 311.342 -0.094 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC001549378635 1015723631 /nfs/dbraw/zinc/72/36/31/1015723631.db2.gz KJNRIBUPOIVVMP-PWSUYJOCSA-N -1 0 322.365 -0.022 20 0 DBADRM CCCC(=O)N1CC([C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001381210872 992709370 /nfs/dbraw/zinc/70/93/70/992709370.db2.gz WKMZGBPBHAFEOI-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM CCCC(=O)N1CC([C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001381210873 992710155 /nfs/dbraw/zinc/71/01/55/992710155.db2.gz WKMZGBPBHAFEOI-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)c1noc3c1COCC3)C2 ZINC001549541621 1015734326 /nfs/dbraw/zinc/73/43/26/1015734326.db2.gz XVQBYSDZQWVDOF-CLAHSXSESA-N -1 0 308.290 -0.080 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)Cc1nccn1C ZINC001381632885 992854506 /nfs/dbraw/zinc/85/45/06/992854506.db2.gz XHEWLNZBJQLFBN-VIFPVBQESA-N -1 0 323.357 -0.941 20 0 DBADRM C[C@@H](NC(=O)Cc1c[nH]cn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381810963 992888569 /nfs/dbraw/zinc/88/85/69/992888569.db2.gz XJUFLYPOMFLMBZ-MRVPVSSYSA-N -1 0 305.342 -0.587 20 0 DBADRM O=C(Cc1cc[nH]n1)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001381882080 992909232 /nfs/dbraw/zinc/90/92/32/992909232.db2.gz OKMJOAGJYCMXAI-RTCCRHLQSA-N -1 0 317.353 -0.730 20 0 DBADRM CCOC(=O)CC[C@H](C)NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001596600003 1017162982 /nfs/dbraw/zinc/16/29/82/1017162982.db2.gz HBWWBLUHMCTBNV-LPEHRKFASA-N -1 0 314.338 -0.186 20 0 DBADRM Cc1sccc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001382202180 993048775 /nfs/dbraw/zinc/04/87/75/993048775.db2.gz LXSFNBAAFXLRFF-QMMMGPOBSA-N -1 0 311.367 -0.239 20 0 DBADRM CC1(C)CC[C@H](C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)C1 ZINC001382255738 993094837 /nfs/dbraw/zinc/09/48/37/993094837.db2.gz QODFSADKOYWPDB-VHSXEESVSA-N -1 0 311.386 -0.097 20 0 DBADRM Cc1cscc1C(=O)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001382377164 993185303 /nfs/dbraw/zinc/18/53/03/993185303.db2.gz GJMVWYBJXDDLJD-QMMMGPOBSA-N -1 0 309.351 -0.305 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC2(C)C)c1[O-] ZINC001382393760 993203136 /nfs/dbraw/zinc/20/31/36/993203136.db2.gz MTFOQYAVNZQCIP-RKDXNWHRSA-N -1 0 310.354 -0.323 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC2(C)C)c1[O-] ZINC001382393751 993203558 /nfs/dbraw/zinc/20/35/58/993203558.db2.gz MTFOQYAVNZQCIP-DTWKUNHWSA-N -1 0 310.354 -0.323 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)CCCF)c1[O-] ZINC001382397987 993209568 /nfs/dbraw/zinc/20/95/68/993209568.db2.gz VTJIZMMCIKRLNW-QMMMGPOBSA-N -1 0 302.306 -0.620 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001596594349 1017163458 /nfs/dbraw/zinc/16/34/58/1017163458.db2.gz HVEVMSJWHAPXDT-RNCFNFMXSA-N -1 0 303.311 -0.559 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)[C@H]1CC12CC2 ZINC001382468902 993299748 /nfs/dbraw/zinc/29/97/48/993299748.db2.gz KSLOMVGSDJTPPQ-NXEZZACHSA-N -1 0 309.370 -0.439 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001382550615 993347407 /nfs/dbraw/zinc/34/74/07/993347407.db2.gz HNROXPQEQZSJRF-VIFPVBQESA-N -1 0 324.385 -0.637 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001382680681 993398323 /nfs/dbraw/zinc/39/83/23/993398323.db2.gz QCDZOEBPZGXQGJ-NFTFJBJSSA-N -1 0 323.353 -0.644 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NC(=O)C2=COCCO2)c1[O-] ZINC001382717354 993406549 /nfs/dbraw/zinc/40/65/49/993406549.db2.gz GHZWWDNCJHXXIP-HTQZYQBOSA-N -1 0 324.337 -0.065 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)NC(=O)C1=CCCC1 ZINC001382770341 993419688 /nfs/dbraw/zinc/41/96/88/993419688.db2.gz RHUZBVAHQKDVBS-BDAKNGLRSA-N -1 0 323.353 -0.191 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN(C)C(=O)c2ccco2)c1[O-] ZINC001382902014 993441793 /nfs/dbraw/zinc/44/17/93/993441793.db2.gz RNWWTMHSROMDKK-VIFPVBQESA-N -1 0 322.321 -0.120 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNC(=O)CCCF)c1[O-] ZINC001382965546 993473598 /nfs/dbraw/zinc/47/35/98/993473598.db2.gz NJIYCSFCWARLCF-VIFPVBQESA-N -1 0 316.333 -0.277 20 0 DBADRM CO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001382966406 993475132 /nfs/dbraw/zinc/47/51/32/993475132.db2.gz PHKFPWYEFQFWGM-RKDXNWHRSA-N -1 0 314.342 -0.992 20 0 DBADRM C[C@@H](NC(=O)C1(C)CC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001383296506 993606542 /nfs/dbraw/zinc/60/65/42/993606542.db2.gz YBJDTHMBUWWAPH-SSDOTTSWSA-N -1 0 321.337 -0.340 20 0 DBADRM CC[C@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001383478302 993661902 /nfs/dbraw/zinc/66/19/02/993661902.db2.gz HTVJBAJHKNDURW-CIUDSAMLSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H](CN(C)C(=O)C1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001383635061 993691228 /nfs/dbraw/zinc/69/12/28/993691228.db2.gz JFGBHHQIJVIMIN-QMMMGPOBSA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001383785297 993744351 /nfs/dbraw/zinc/74/43/51/993744351.db2.gz RLJHZONVPOXVST-YIZRAAEISA-N -1 0 311.342 -0.692 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N2C[C@H](C3CC3)[C@H](C(=O)[O-])C2)cn1 ZINC001550373439 1015804046 /nfs/dbraw/zinc/80/40/46/1015804046.db2.gz SEXIOVOEAZAIHH-UPJWGTAASA-N -1 0 307.350 -0.107 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)NC1)NC(=O)c1cn[nH]n1 ZINC001383805948 993752404 /nfs/dbraw/zinc/75/24/04/993752404.db2.gz JGVVFVXJHCZREP-LKFCYVNXSA-N -1 0 322.369 -0.702 20 0 DBADRM CCOC(=O)COCCNC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001596628175 1017165640 /nfs/dbraw/zinc/16/56/40/1017165640.db2.gz AOEJOJIOGCWQFK-NXEZZACHSA-N -1 0 318.326 -0.550 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001596655501 1017165695 /nfs/dbraw/zinc/16/56/95/1017165695.db2.gz VCKYWERKNSUVHF-UHFFFAOYSA-N -1 0 320.367 -0.045 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C=C1CCC1 ZINC001492446243 1015806048 /nfs/dbraw/zinc/80/60/48/1015806048.db2.gz VUHJTJRHNFEHES-UHFFFAOYSA-N -1 0 321.337 -0.029 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCCCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001492466239 1015809116 /nfs/dbraw/zinc/80/91/16/1015809116.db2.gz BIGMMYWFTRGVBC-NXEZZACHSA-N -1 0 322.365 -0.280 20 0 DBADRM O=C(c1c[n-]ncc1=O)N1CCN(CCc2cnccn2)CC1 ZINC001550879468 1015815785 /nfs/dbraw/zinc/81/57/85/1015815785.db2.gz FFHDRVUXXWUYJW-UHFFFAOYSA-N -1 0 314.349 -0.027 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@@H](NS(=O)(=O)N3CCOCC3)[C@H]2C1 ZINC001551391828 1015819484 /nfs/dbraw/zinc/81/94/84/1015819484.db2.gz JGMOUWDJGCQLBP-CHWFTXMASA-N -1 0 304.368 -0.348 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN(C)C(=O)[C@H]2CC23CC3)c1[O-] ZINC001384277110 994079082 /nfs/dbraw/zinc/07/90/82/994079082.db2.gz YJSZGMMAEQTYJU-VHSXEESVSA-N -1 0 322.365 -0.227 20 0 DBADRM C[C@@H](Cc1c[nH]cn1)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400411894 994127050 /nfs/dbraw/zinc/12/70/50/994127050.db2.gz ONSUFKZDNSERPM-QMMMGPOBSA-N -1 0 305.342 -0.587 20 0 DBADRM CC(=O)NCC(=O)N(C)C1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001384432431 994133711 /nfs/dbraw/zinc/13/37/11/994133711.db2.gz USKSNAFVVGFLCH-UHFFFAOYSA-N -1 0 323.353 -0.721 20 0 DBADRM CCN(CCNC(=O)c1c(C)nc[nH]c1=O)Cc1n[nH]c(=O)[n-]1 ZINC001493004213 1015836689 /nfs/dbraw/zinc/83/66/89/1015836689.db2.gz LQQKYRNVFSGILG-UHFFFAOYSA-N -1 0 321.341 -0.434 20 0 DBADRM CCN(CCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001493018987 1015839395 /nfs/dbraw/zinc/83/93/95/1015839395.db2.gz HVIRLFIWODMOLY-VHSXEESVSA-N -1 0 324.385 -0.637 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400560966 994230542 /nfs/dbraw/zinc/23/05/42/994230542.db2.gz LFQKGIAWBWTBQN-UHFFFAOYSA-N -1 0 324.385 -0.779 20 0 DBADRM CCN(CCNC(=O)c1nn(CC)nc1C)Cc1n[nH]c(=O)[n-]1 ZINC001493068066 1015845790 /nfs/dbraw/zinc/84/57/90/1015845790.db2.gz ZGYVITHWJJAHCW-UHFFFAOYSA-N -1 0 322.373 -0.318 20 0 DBADRM Cn1cc([C@@H]2OCCC[C@@H]2C(=O)Nn2c(=O)[n-][nH]c2=O)cn1 ZINC001552229066 1015849600 /nfs/dbraw/zinc/84/96/00/1015849600.db2.gz XGUBCLLKRVMHDS-IUCAKERBSA-N -1 0 308.298 -0.339 20 0 DBADRM CCn1ccnc1[C@H]1OCC[C@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC001552228833 1015849755 /nfs/dbraw/zinc/84/97/55/1015849755.db2.gz KINOUWDPIREBRI-SFYZADRCSA-N -1 0 308.298 -0.246 20 0 DBADRM CO[C@H]1CCCCN(CC(=O)N(C)Cc2n[n-]c(=O)o2)C1=O ZINC001552235818 1015850628 /nfs/dbraw/zinc/85/06/28/1015850628.db2.gz YPUXHLXAUVODHG-VIFPVBQESA-N -1 0 312.326 -0.239 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001596677742 1017168335 /nfs/dbraw/zinc/16/83/35/1017168335.db2.gz XOGFORGMXDMHFG-AEJSXWLSSA-N -1 0 312.322 -0.671 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001400711737 994311380 /nfs/dbraw/zinc/31/13/80/994311380.db2.gz IFZUUZIPJZBRTA-QMMMGPOBSA-N -1 0 323.353 -0.769 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001552403288 1015857514 /nfs/dbraw/zinc/85/75/14/1015857514.db2.gz NDQQDKUREINJFU-PKFCDNJMSA-N -1 0 313.354 -0.404 20 0 DBADRM CCc1nc(CCNC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)no1 ZINC001552404631 1015857529 /nfs/dbraw/zinc/85/75/29/1015857529.db2.gz WGNYZNZXAJCWKY-OTYXRUKQSA-N -1 0 324.337 -0.083 20 0 DBADRM CC(C)C(=O)NCCNC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001552403173 1015857990 /nfs/dbraw/zinc/85/79/90/1015857990.db2.gz PZLOUGAPYRXTOS-IINYFYTJSA-N -1 0 313.354 -0.499 20 0 DBADRM CCc1nnc(CNC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)[nH]1 ZINC001552398051 1015858031 /nfs/dbraw/zinc/85/80/31/1015858031.db2.gz IAQORIPALJILFK-OQPBUACISA-N -1 0 309.326 -0.390 20 0 DBADRM CN1C[C@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCC1=O ZINC001552398352 1015858039 /nfs/dbraw/zinc/85/80/39/1015858039.db2.gz GZGGUPWEPLIIME-RBZYPMLTSA-N -1 0 311.338 -0.650 20 0 DBADRM Cc1nccn1CCNC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001552403592 1015858080 /nfs/dbraw/zinc/85/80/80/1015858080.db2.gz RSMUIRUZYUGAJU-SMDDNHRTSA-N -1 0 308.338 -0.066 20 0 DBADRM CC(=O)N1CC[C@H](N(C)C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001385223279 994410098 /nfs/dbraw/zinc/41/00/98/994410098.db2.gz COQZNQJMNOEVFP-VIFPVBQESA-N -1 0 309.326 -0.705 20 0 DBADRM CN1CCC[C@H](NC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)C1=O ZINC001552654278 1015866489 /nfs/dbraw/zinc/86/64/89/1015866489.db2.gz DARRXWNJQGSUQK-BFVZDQMLSA-N -1 0 311.338 -0.650 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001385462821 994501332 /nfs/dbraw/zinc/50/13/32/994501332.db2.gz JOKDOCACNHFEMK-JTQLQIEISA-N -1 0 323.353 -0.719 20 0 DBADRM Cc1nnc(CC(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001493198720 1015868009 /nfs/dbraw/zinc/86/80/09/1015868009.db2.gz DOJNUQQDDFHAFQ-VIFPVBQESA-N -1 0 321.341 -0.617 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Cc1cncn1C ZINC001401421951 994564381 /nfs/dbraw/zinc/56/43/81/994564381.db2.gz CJDPSZYGPBNTPI-UHFFFAOYSA-N -1 0 321.341 -0.780 20 0 DBADRM CC(C)(C)C(=O)N[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001385755977 994622856 /nfs/dbraw/zinc/62/28/56/994622856.db2.gz NIVNUOWIJJQYPN-MRVPVSSYSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001385866810 994660787 /nfs/dbraw/zinc/66/07/87/994660787.db2.gz VXKPLEBTZCLYEW-NKWVEPMBSA-N -1 0 313.289 -0.638 20 0 DBADRM C[C@H](CNC(=O)c1cocn1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001386199686 994800677 /nfs/dbraw/zinc/80/06/77/994800677.db2.gz VUSMEAKVAXPGNL-SSDOTTSWSA-N -1 0 321.293 -0.978 20 0 DBADRM CC1(CC(=O)N[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001386214989 994806268 /nfs/dbraw/zinc/80/62/68/994806268.db2.gz ZLEBZUBNKDVZIP-ZKCHVHJHSA-N -1 0 321.337 -0.150 20 0 DBADRM Cc1cnc(CN(C)C[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001401798588 994814715 /nfs/dbraw/zinc/81/47/15/994814715.db2.gz NAPKGSIUAVWONX-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM Cc1nc(CN(C)C[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001401802978 994817169 /nfs/dbraw/zinc/81/71/69/994817169.db2.gz RZDPZGLXSQTYOC-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM C[C@]1(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)CCNC(=O)C1 ZINC001401888672 994841370 /nfs/dbraw/zinc/84/13/70/994841370.db2.gz BELKBGXNLNCYGF-OTYXRUKQSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(Cc1ccc(F)cn1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001401894952 994845278 /nfs/dbraw/zinc/84/52/78/994845278.db2.gz VPRCNQYCPTWZCG-LLVKDONJSA-N -1 0 320.328 -0.022 20 0 DBADRM C[C@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)NC(=O)C(F)F ZINC001386335358 994868215 /nfs/dbraw/zinc/86/82/15/994868215.db2.gz VFBDMPKEPHKFDR-ZCFIWIBFSA-N -1 0 321.284 -0.645 20 0 DBADRM C[C@@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001386366931 994878730 /nfs/dbraw/zinc/87/87/30/994878730.db2.gz ZOMUXYIPIAELNX-HRDYMLBCSA-N -1 0 323.353 -0.508 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001386419544 994895480 /nfs/dbraw/zinc/89/54/80/994895480.db2.gz SLYJOTQMDUZJRC-ZETCQYMHSA-N -1 0 320.353 -0.068 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C2CC2)[C@@H]2CCN(C)C2=O)c1[O-] ZINC001493361411 1015899002 /nfs/dbraw/zinc/89/90/02/1015899002.db2.gz KQECOBCQPBQEFE-LLVKDONJSA-N -1 0 321.381 -0.151 20 0 DBADRM O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CC12CC2 ZINC001402115794 994926024 /nfs/dbraw/zinc/92/60/24/994926024.db2.gz TTYFHXLPYCCRIZ-NSHDSACASA-N -1 0 320.397 -0.456 20 0 DBADRM O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CC12CC2 ZINC001402115791 994928048 /nfs/dbraw/zinc/92/80/48/994928048.db2.gz TTYFHXLPYCCRIZ-LLVKDONJSA-N -1 0 320.397 -0.456 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386513104 994944882 /nfs/dbraw/zinc/94/48/82/994944882.db2.gz ZJBLUDCKHCXLNV-BWZBUEFSSA-N -1 0 309.326 -0.437 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@@H](C)NC(=O)Cn2nccn2)c1[O-] ZINC001386668929 995013077 /nfs/dbraw/zinc/01/30/77/995013077.db2.gz VMBBTCJDAUQSQW-MRVPVSSYSA-N -1 0 321.341 -0.660 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001386715934 995045705 /nfs/dbraw/zinc/04/57/05/995045705.db2.gz IEWCYLPIJDNZAI-ZETCQYMHSA-N -1 0 311.342 -0.863 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](NCc2nnnn2C)C2CC2)c1[O-] ZINC001402305809 995061217 /nfs/dbraw/zinc/06/12/17/995061217.db2.gz KGTRKNGJLOYQHZ-VIFPVBQESA-N -1 0 320.357 -0.755 20 0 DBADRM CC1CC(CN2CC(O)(CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC001402334489 995086620 /nfs/dbraw/zinc/08/66/20/995086620.db2.gz IAQZOCSZGQLQCW-UHFFFAOYSA-N -1 0 323.353 -0.895 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001402350622 995099209 /nfs/dbraw/zinc/09/92/09/995099209.db2.gz TZHRXLHVHUEJQY-MYJAWHEDSA-N -1 0 307.354 -0.781 20 0 DBADRM CC(C)CC(=O)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402442941 995139612 /nfs/dbraw/zinc/13/96/12/995139612.db2.gz OYMWKAFRIXHVBZ-AWEZNQCLSA-N -1 0 311.386 -0.001 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402460397 995151724 /nfs/dbraw/zinc/15/17/24/995151724.db2.gz HKHVPBONLDFCPO-RULNRJAQSA-N -1 0 309.370 -0.391 20 0 DBADRM O=C(CCc1cn[nH]n1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001493413983 1015921596 /nfs/dbraw/zinc/92/15/96/1015921596.db2.gz LFLUWZOVNOVYFM-UHFFFAOYSA-N -1 0 320.357 -0.658 20 0 DBADRM CC[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(OC)OC ZINC001556492475 1015922308 /nfs/dbraw/zinc/92/23/08/1015922308.db2.gz FSUCNSCRKFEEOV-MRVPVSSYSA-N -1 0 302.331 -0.017 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@H]2CCCC(=O)N2)c1[O-] ZINC001386932991 995181624 /nfs/dbraw/zinc/18/16/24/995181624.db2.gz IDAVODUFZQZBAV-SECBINFHSA-N -1 0 323.353 -0.719 20 0 DBADRM COc1nc(C(=O)NCCN(C)C(=O)c2n[nH]c(C)c2[O-])co1 ZINC001387011900 995214386 /nfs/dbraw/zinc/21/43/86/995214386.db2.gz IYTVKOIFFBCNRI-UHFFFAOYSA-N -1 0 323.309 -0.078 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1(CF)CC1 ZINC001387012646 995215168 /nfs/dbraw/zinc/21/51/68/995215168.db2.gz CWCHPNCQNCLYKJ-UHFFFAOYSA-N -1 0 313.289 -0.779 20 0 DBADRM O=C(Cc1ncc[nH]1)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001402739333 995265920 /nfs/dbraw/zinc/26/59/20/995265920.db2.gz MQQLGAINIGHRBW-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM CCC(=O)NCCN(CC)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001387142309 995268680 /nfs/dbraw/zinc/26/86/80/995268680.db2.gz REZAFYFJAADCDX-UHFFFAOYSA-N -1 0 320.353 -0.554 20 0 DBADRM CC(C)[C@@H](C)C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387170901 995281851 /nfs/dbraw/zinc/28/18/51/995281851.db2.gz XRSVWSMJDLYWPW-DTWKUNHWSA-N -1 0 313.358 -0.398 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)[N-]O[C@@H](CO)C(C)C ZINC001556736354 1015933146 /nfs/dbraw/zinc/93/31/46/1015933146.db2.gz DDHGINNOGYTAJU-MNOVXSKESA-N -1 0 317.386 -0.543 20 0 DBADRM CCCC(=O)NCC[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001387372242 995334795 /nfs/dbraw/zinc/33/47/95/995334795.db2.gz RRYHCQLXFIZISB-SECBINFHSA-N -1 0 310.354 -0.089 20 0 DBADRM CCC(=O)NCC(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001402910728 995336154 /nfs/dbraw/zinc/33/61/54/995336154.db2.gz ZZCSQAYFTMLMSP-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM CCCC(=O)NC[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001493454351 1015936204 /nfs/dbraw/zinc/93/62/04/1015936204.db2.gz HXLGPAJBYACQEQ-QMMMGPOBSA-N -1 0 309.326 -0.293 20 0 DBADRM CCCN(CCNC(=O)[C@H]1C[C@H]1C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387403303 995343586 /nfs/dbraw/zinc/34/35/86/995343586.db2.gz ZTJMZNPJZWOZBT-BDAKNGLRSA-N -1 0 323.353 -0.093 20 0 DBADRM CC(C)CC(=O)NC[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001493462291 1015940176 /nfs/dbraw/zinc/94/01/76/1015940176.db2.gz KAFIIYWENOHVJW-SECBINFHSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H](CNC(=O)c1ncccc1O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403121262 995413787 /nfs/dbraw/zinc/41/37/87/995413787.db2.gz QUKSWQOZVPUOPG-QMMMGPOBSA-N -1 0 306.326 -0.139 20 0 DBADRM C[C@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403139965 995422889 /nfs/dbraw/zinc/42/28/89/995422889.db2.gz QHRFUUILDRYACR-SECBINFHSA-N -1 0 320.353 -0.541 20 0 DBADRM C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403172923 995436963 /nfs/dbraw/zinc/43/69/63/995436963.db2.gz UVCXHVGWIOTFBT-SSDOTTSWSA-N -1 0 309.330 -0.800 20 0 DBADRM CN(CCNC(=O)[C@H]1CC1(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387715725 995446126 /nfs/dbraw/zinc/44/61/26/995446126.db2.gz VJSOFSWTVBWGKG-RXMQYKEDSA-N -1 0 317.252 -0.874 20 0 DBADRM CO[C@@H](C)C(=O)N(C)CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001387743344 995463750 /nfs/dbraw/zinc/46/37/50/995463750.db2.gz CPPSRPXPLPKABK-VIFPVBQESA-N -1 0 321.337 -0.754 20 0 DBADRM C[C@@H](NC(=O)Cn1ccnc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001403350712 995493466 /nfs/dbraw/zinc/49/34/66/995493466.db2.gz LQIICXFGLSOCMS-SECBINFHSA-N -1 0 305.342 -0.657 20 0 DBADRM CC(C)[C@H](C)C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001387820602 995497396 /nfs/dbraw/zinc/49/73/96/995497396.db2.gz DEDYMLMRFBMLCJ-QMMMGPOBSA-N -1 0 311.342 -0.692 20 0 DBADRM COCCC(=O)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001403421545 995518156 /nfs/dbraw/zinc/51/81/56/995518156.db2.gz SIVNRJVWFVOBNI-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM CC(=O)Nc1ccc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)nc1 ZINC001557577832 1015953107 /nfs/dbraw/zinc/95/31/07/1015953107.db2.gz SAMATAXQUMICHQ-SSDOTTSWSA-N -1 0 305.294 -0.033 20 0 DBADRM CC[C@@H](CNC(=O)C(C)C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001388033006 995583663 /nfs/dbraw/zinc/58/36/63/995583663.db2.gz KXQSVCPBBZODRN-VIFPVBQESA-N -1 0 310.354 -0.234 20 0 DBADRM CC[C@H](CNC(=O)C(C)C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001388033004 995583789 /nfs/dbraw/zinc/58/37/89/995583789.db2.gz KXQSVCPBBZODRN-SECBINFHSA-N -1 0 310.354 -0.234 20 0 DBADRM Cc1ccnc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001403619863 995599426 /nfs/dbraw/zinc/59/94/26/995599426.db2.gz RHWPFAXYVYKQJZ-UHFFFAOYSA-N -1 0 319.325 -0.757 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)N[C@H](C)c2cnccn2)c1[O-] ZINC001403640530 995609869 /nfs/dbraw/zinc/60/98/69/995609869.db2.gz HJBPYBLOSZYGKC-SCZZXKLOSA-N -1 0 320.353 -0.345 20 0 DBADRM CCc1ccnc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001403654945 995619475 /nfs/dbraw/zinc/61/94/75/995619475.db2.gz AEYOXJDDCNEUNM-SNVBAGLBSA-N -1 0 320.353 -0.652 20 0 DBADRM CC[C@H](C)C(=O)NCCN(CC)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388189270 995630706 /nfs/dbraw/zinc/63/07/06/995630706.db2.gz XKXVLIAGUQHZGP-VIFPVBQESA-N -1 0 313.358 -0.300 20 0 DBADRM CCO[C@H]1COCC[C@H]1CC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001596854536 1017173106 /nfs/dbraw/zinc/17/31/06/1017173106.db2.gz DRKDGGOAUXKOHS-USZNOCQGSA-N -1 0 301.339 -0.136 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1ccc(Cn2ccnn2)o1 ZINC001557734774 1015960535 /nfs/dbraw/zinc/96/05/35/1015960535.db2.gz OLVOQIGYLCOAFR-UHFFFAOYSA-N -1 0 302.250 -0.434 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC001403773930 995698557 /nfs/dbraw/zinc/69/85/57/995698557.db2.gz CUEFQMGECPTFKH-GXSJLCMTSA-N -1 0 324.385 -0.542 20 0 DBADRM CC1(C(=O)NC[C@H]2CCCN2C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001388495782 995704969 /nfs/dbraw/zinc/70/49/69/995704969.db2.gz AWIYIAWUBATEDN-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388505190 995706045 /nfs/dbraw/zinc/70/60/45/995706045.db2.gz GXYWDCROXFUNCO-HTQZYQBOSA-N -1 0 317.321 -0.694 20 0 DBADRM CC[C@H](F)CN1CC[C@@H]1CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388656568 995723792 /nfs/dbraw/zinc/72/37/92/995723792.db2.gz BAIUFKOPOJUOSC-VHSXEESVSA-N -1 0 315.349 -0.030 20 0 DBADRM CCN(CCNC(=O)C[C@@H]1COC(=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001403846619 995726960 /nfs/dbraw/zinc/72/69/60/995726960.db2.gz SIWWUDSYKMIPBI-VIFPVBQESA-N -1 0 311.342 -0.598 20 0 DBADRM O=C(NCCN(C(=O)C1CCC1)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001388660132 995727288 /nfs/dbraw/zinc/72/72/88/995727288.db2.gz SWJACADACKMVPK-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(CCN1C(=O)CCNC1=S)NC1(c2nnn[n-]2)CCC1 ZINC001558172991 1015973201 /nfs/dbraw/zinc/97/32/01/1015973201.db2.gz AHGKTBNJVCLSMI-UHFFFAOYSA-N -1 0 323.382 -0.808 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)C1CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001404046410 995808791 /nfs/dbraw/zinc/80/87/91/995808791.db2.gz XVOQFSJVBGICNK-SNVBAGLBSA-N -1 0 323.353 -0.451 20 0 DBADRM CO[C@H](C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001404056672 995809351 /nfs/dbraw/zinc/80/93/51/995809351.db2.gz DFXIJOWRIPUFEA-SKDRFNHKSA-N -1 0 309.370 -0.127 20 0 DBADRM CCCN(CCNC(=O)C[C@@H]1CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001404159373 995827640 /nfs/dbraw/zinc/82/76/40/995827640.db2.gz ZMZPSDRZMCCOPL-JTQLQIEISA-N -1 0 324.385 -0.493 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)NC(=O)C(C)(C)C ZINC001404206176 995834753 /nfs/dbraw/zinc/83/47/53/995834753.db2.gz AXRHSUWSLMEKED-RQJHMYQMSA-N -1 0 311.342 -0.048 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001404206167 995835564 /nfs/dbraw/zinc/83/55/64/995835564.db2.gz AXRHSUWSLMEKED-NKWVEPMBSA-N -1 0 311.342 -0.048 20 0 DBADRM Cc1ncc(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)n1C ZINC001404264970 995843318 /nfs/dbraw/zinc/84/33/18/995843318.db2.gz UEQTUNGRFBGDCE-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM COCC(=O)N(C)[C@@H](C)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001404345313 995861390 /nfs/dbraw/zinc/86/13/90/995861390.db2.gz DQSDHEFZTFFGHD-VIFPVBQESA-N -1 0 321.337 -0.754 20 0 DBADRM CCCN(C(=O)c1nc[nH]n1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404426129 995871089 /nfs/dbraw/zinc/87/10/89/995871089.db2.gz GWPAZYHOXBCBET-SECBINFHSA-N -1 0 320.357 -0.245 20 0 DBADRM CC(C)C(=O)N1CC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001389272667 995918023 /nfs/dbraw/zinc/91/80/23/995918023.db2.gz LDMHEUYOCKMOTE-UHFFFAOYSA-N -1 0 311.342 -0.548 20 0 DBADRM CCCCC(=O)N[C@@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001389300140 995926944 /nfs/dbraw/zinc/92/69/44/995926944.db2.gz IBDXHVMTLUHFRH-VIFPVBQESA-N -1 0 310.354 -0.089 20 0 DBADRM CCOC1CC2(C[C@H]2C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])C1 ZINC001596847578 1017173530 /nfs/dbraw/zinc/17/35/30/1017173530.db2.gz WWUZNFLVFWKAHG-SSOKKCIESA-N -1 0 310.350 -0.055 20 0 DBADRM O=C(COCC(F)F)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001389477104 996004112 /nfs/dbraw/zinc/00/41/12/996004112.db2.gz DFOTULWVZHQLEQ-ZETCQYMHSA-N -1 0 305.285 -0.518 20 0 DBADRM CCO[C@H]1C[C@](NC(=O)[C@H]2COC(=O)N2)(C(=O)[O-])C1(C)C ZINC001596826450 1017173883 /nfs/dbraw/zinc/17/38/83/1017173883.db2.gz ABJPOXVVEXHLSJ-UJVNDKKSSA-N -1 0 300.311 -0.131 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1C(=O)CCCF ZINC001389726887 996080607 /nfs/dbraw/zinc/08/06/07/996080607.db2.gz OPWRTKVGFFWKBA-MRVPVSSYSA-N -1 0 315.305 -0.844 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3cnsn3)CC2)c1[O-] ZINC001389815493 996110028 /nfs/dbraw/zinc/11/00/28/996110028.db2.gz IWRAWUDRPQASQS-UHFFFAOYSA-N -1 0 322.350 -0.032 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001389924787 996140642 /nfs/dbraw/zinc/14/06/42/996140642.db2.gz YOZFOYWLHAUBTQ-YUMQZZPRSA-N -1 0 309.326 -0.890 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC001596872839 1017175306 /nfs/dbraw/zinc/17/53/06/1017175306.db2.gz RBUMQPYKOMPLKR-LPEHRKFASA-N -1 0 303.311 -0.345 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCCOCC1 ZINC001596884760 1017175338 /nfs/dbraw/zinc/17/53/38/1017175338.db2.gz QKAYCTHHXBQSDS-JTQLQIEISA-N -1 0 310.372 -0.625 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCOC(C)(C)C1 ZINC001596884368 1017175387 /nfs/dbraw/zinc/17/53/87/1017175387.db2.gz IMKYQFCVNUOUKZ-SNVBAGLBSA-N -1 0 324.399 -0.237 20 0 DBADRM CC[C@@H](CNC(=O)Cn1ccnc1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001390542445 996294537 /nfs/dbraw/zinc/29/45/37/996294537.db2.gz RIANMGZYGJRNLT-JTQLQIEISA-N -1 0 320.353 -0.055 20 0 DBADRM CC[C@H](CNC(=O)Cn1ccnc1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001390542447 996295435 /nfs/dbraw/zinc/29/54/35/996295435.db2.gz RIANMGZYGJRNLT-SNVBAGLBSA-N -1 0 320.353 -0.055 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(F)F ZINC001390586652 996312285 /nfs/dbraw/zinc/31/22/85/996312285.db2.gz SJAAQTGMRKAAPQ-SCSAIBSYSA-N -1 0 305.241 -0.828 20 0 DBADRM CCn1ncc(CN(C)CCNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001390750641 996358440 /nfs/dbraw/zinc/35/84/40/996358440.db2.gz GWMVSCPRDPYHDJ-UHFFFAOYSA-N -1 0 307.358 -0.103 20 0 DBADRM Cc1ncn(C)c1C(=O)NCCN(C)Cc1nn(C)c(=O)[n-]1 ZINC001390774669 996366391 /nfs/dbraw/zinc/36/63/91/996366391.db2.gz UYTHVMNVZVBYFX-UHFFFAOYSA-N -1 0 307.358 -0.988 20 0 DBADRM CCN(CCNC(=O)Cc1ccn(CC)n1)Cc1n[nH]c(=O)[n-]1 ZINC001390908661 996407497 /nfs/dbraw/zinc/40/74/97/996407497.db2.gz ULAVHRZYVJCCDV-UHFFFAOYSA-N -1 0 321.385 -0.093 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCc2ncccn2)C1 ZINC001593765740 996442142 /nfs/dbraw/zinc/44/21/42/996442142.db2.gz VIPOXEWSJFITCE-CQSZACIVSA-N -1 0 306.322 -0.194 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C2(CS(C)(=O)=O)COC2)C1 ZINC001593765869 996443838 /nfs/dbraw/zinc/44/38/38/996443838.db2.gz ZFZSROBTUGLIIG-GFCCVEGCSA-N -1 0 319.379 -0.239 20 0 DBADRM C[C@@](O)(CC(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001391086375 996444969 /nfs/dbraw/zinc/44/49/69/996444969.db2.gz QBLWVZRSLZEIKS-MEBBXXQBSA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(CCc1cn[nH]n1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391098946 996448505 /nfs/dbraw/zinc/44/85/05/996448505.db2.gz FRUUQCZMWDDUEM-VIFPVBQESA-N -1 0 320.357 -0.801 20 0 DBADRM O=C(CCc1cn[nH]n1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391098940 996449413 /nfs/dbraw/zinc/44/94/13/996449413.db2.gz FRUUQCZMWDDUEM-SECBINFHSA-N -1 0 320.357 -0.801 20 0 DBADRM Cc1nn(C)cc1CCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391444630 996542376 /nfs/dbraw/zinc/54/23/76/996542376.db2.gz SDGWQVFFXMIZAG-UHFFFAOYSA-N -1 0 319.369 -0.515 20 0 DBADRM C[C@]1(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)CCCOC1 ZINC001391519247 996563367 /nfs/dbraw/zinc/56/33/67/996563367.db2.gz UJGGRURABGLCGW-AWEZNQCLSA-N -1 0 309.370 -0.125 20 0 DBADRM O=C(CCc1ccon1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391561693 996577270 /nfs/dbraw/zinc/57/72/70/996577270.db2.gz JCXXXLNSLIFVOG-JTQLQIEISA-N -1 0 306.326 -0.178 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])N[C@@H](C)c1nnnn1C ZINC001391683551 996607898 /nfs/dbraw/zinc/60/78/98/996607898.db2.gz LNZFYZILYWRJFW-IUCAKERBSA-N -1 0 322.373 -0.194 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])N[C@H](C)c1nnnn1C ZINC001391683545 996608051 /nfs/dbraw/zinc/60/80/51/996608051.db2.gz LNZFYZILYWRJFW-BDAKNGLRSA-N -1 0 322.373 -0.194 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])N[C@H](C)c1nnnn1C ZINC001391683555 996608471 /nfs/dbraw/zinc/60/84/71/996608471.db2.gz LNZFYZILYWRJFW-RKDXNWHRSA-N -1 0 322.373 -0.194 20 0 DBADRM CC[C@H](C)C(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001391755051 996626427 /nfs/dbraw/zinc/62/64/27/996626427.db2.gz BMPMFKQGAIWPKR-QMMMGPOBSA-N -1 0 311.342 -0.141 20 0 DBADRM CC1(C)C[C@H](NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CO1 ZINC001593853232 996630812 /nfs/dbraw/zinc/63/08/12/996630812.db2.gz BPWYCJMLKLGRCG-VHSXEESVSA-N -1 0 314.338 -0.628 20 0 DBADRM CC1(C)C[C@@H](O)CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC001593862213 996659756 /nfs/dbraw/zinc/65/97/56/996659756.db2.gz XBMCLEYGQIKJOK-SECBINFHSA-N -1 0 317.367 -0.251 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001596879595 1017176022 /nfs/dbraw/zinc/17/60/22/1017176022.db2.gz OBCFAZXTSJXGPD-OUAUKWLOSA-N -1 0 312.326 -0.464 20 0 DBADRM O=C(CCCF)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001391984395 996674947 /nfs/dbraw/zinc/67/49/47/996674947.db2.gz CNSKVUPKZGJULI-SECBINFHSA-N -1 0 301.322 -0.423 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC001596872838 1017176323 /nfs/dbraw/zinc/17/63/23/1017176323.db2.gz RBUMQPYKOMPLKR-KXUCPTDWSA-N -1 0 303.311 -0.345 20 0 DBADRM Cc1cnc(CN(C)CCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001392287364 996776823 /nfs/dbraw/zinc/77/68/23/996776823.db2.gz ZRRXEMAQCOMNHW-UHFFFAOYSA-N -1 0 322.325 -0.217 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)Cc2ccon2)c1[O-] ZINC001392284836 996777073 /nfs/dbraw/zinc/77/70/73/996777073.db2.gz WGTYUHAVFYMEJG-SSDOTTSWSA-N -1 0 307.310 -0.111 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CC12CC2)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001404524453 996806993 /nfs/dbraw/zinc/80/69/93/996806993.db2.gz YOVPEIKTEXLNBZ-JGVFFNPUSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CC12CC2)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001404524463 996807041 /nfs/dbraw/zinc/80/70/41/996807041.db2.gz YOVPEIKTEXLNBZ-YUMQZZPRSA-N -1 0 321.337 -0.340 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)C1 ZINC001599074150 996827713 /nfs/dbraw/zinc/82/77/13/996827713.db2.gz OEBGMBWHXOZIRU-AUTRQRHGSA-N -1 0 320.367 -0.553 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H](C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001404631978 996831812 /nfs/dbraw/zinc/83/18/12/996831812.db2.gz LEWJJTKNXIOJRQ-YUMQZZPRSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNCc2ncc(C)cn2)c1[O-] ZINC001392369273 996837325 /nfs/dbraw/zinc/83/73/25/996837325.db2.gz VASWZLRPPZHOIZ-JTQLQIEISA-N -1 0 320.353 -0.597 20 0 DBADRM CC1(C)CN(C(=O)C(=O)NCCCCC(=O)[O-])C[C@@H](CO)O1 ZINC001593926409 996858886 /nfs/dbraw/zinc/85/88/86/996858886.db2.gz DOYHMCYXDDSUIW-JTQLQIEISA-N -1 0 316.354 -0.644 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cnn(C)c2-n2cnnc2)C1 ZINC001599075943 996863919 /nfs/dbraw/zinc/86/39/19/996863919.db2.gz XOJSUATUHQTZNP-CYBMUJFWSA-N -1 0 320.309 -0.684 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404836078 996879507 /nfs/dbraw/zinc/87/95/07/996879507.db2.gz YFBLHPONDNRCAX-LLVKDONJSA-N -1 0 324.385 -0.639 20 0 DBADRM CC1(C)CN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC[C@@H]1O ZINC001593928936 996882243 /nfs/dbraw/zinc/88/22/43/996882243.db2.gz YOAASCSAZAGJIA-QWRGUYRKSA-N -1 0 312.366 -0.071 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1nc2ncc(C)cn2n1 ZINC001596878463 1017176857 /nfs/dbraw/zinc/17/68/57/1017176857.db2.gz VCKOMOVIXHKOJD-VIFPVBQESA-N -1 0 307.310 -0.006 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC001596873260 1017176812 /nfs/dbraw/zinc/17/68/12/1017176812.db2.gz YRLITNFUBDTHLA-UWVGGRQHSA-N -1 0 311.342 -0.426 20 0 DBADRM CC(C)(NS(=O)(=O)N1CCOC(C)(C)C1)[C@@H](O)C(=O)[O-] ZINC001593944881 996982610 /nfs/dbraw/zinc/98/26/10/996982610.db2.gz KJGDOPZIQYKMLM-QMMMGPOBSA-N -1 0 310.372 -0.844 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001392512369 996988594 /nfs/dbraw/zinc/98/85/94/996988594.db2.gz SWWOWYYZQDIMCV-IWSPIJDZSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001405082825 996991896 /nfs/dbraw/zinc/99/18/96/996991896.db2.gz SUMSFGKPTPXXOV-NXEZZACHSA-N -1 0 319.369 -0.197 20 0 DBADRM CC(C)CC(=O)N[C@H](C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001405102814 997001492 /nfs/dbraw/zinc/00/14/92/997001492.db2.gz NFVRKXACRWGWPV-SECBINFHSA-N -1 0 313.358 -0.302 20 0 DBADRM CCn1nncc1C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001392634612 997103098 /nfs/dbraw/zinc/10/30/98/997103098.db2.gz ANVBQHGSYACREQ-MRVPVSSYSA-N -1 0 308.346 -0.628 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)Cc1ccn(C)n1 ZINC001392634570 997103462 /nfs/dbraw/zinc/10/34/62/997103462.db2.gz AIFZTAHGSNONLB-SECBINFHSA-N -1 0 307.358 -0.577 20 0 DBADRM CCn1cc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001392641713 997105979 /nfs/dbraw/zinc/10/59/79/997105979.db2.gz PIOYZYCIULKMHQ-VIFPVBQESA-N -1 0 307.358 -0.023 20 0 DBADRM CC1(C)NC(=O)N(CCCOC(=O)COCC(=O)[O-])C1=O ZINC001593966988 997111219 /nfs/dbraw/zinc/11/12/19/997111219.db2.gz CSCUYNNWCALBJF-UHFFFAOYSA-N -1 0 302.283 -0.649 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cccn2nnnc12 ZINC001599192272 997143303 /nfs/dbraw/zinc/14/33/03/997143303.db2.gz HHFPMJUSNHKBJL-ZDUSSCGKSA-N -1 0 305.294 -0.170 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])O1 ZINC001593972665 997144131 /nfs/dbraw/zinc/14/41/31/997144131.db2.gz BXBGSFBRLMJPEA-NXEZZACHSA-N -1 0 314.338 -0.280 20 0 DBADRM CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001405286667 997162727 /nfs/dbraw/zinc/16/27/27/997162727.db2.gz KIIOUDAMDJXAGE-RKDXNWHRSA-N -1 0 314.342 -0.944 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC(C)C1 ZINC001392747928 997181343 /nfs/dbraw/zinc/18/13/43/997181343.db2.gz KWXIBBRSVWUTDP-WTIBDHCWSA-N -1 0 309.326 -0.437 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CC[C@](OC)(C(=O)[O-])C2)C1=O ZINC001599194196 997184965 /nfs/dbraw/zinc/18/49/65/997184965.db2.gz DOZWMTIKANBHIP-QWHCGFSZSA-N -1 0 315.326 -0.924 20 0 DBADRM CCCC(=O)N[C@H](CO)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001405317008 997187440 /nfs/dbraw/zinc/18/74/40/997187440.db2.gz DGWRPCVNUNXVIB-QMMMGPOBSA-N -1 0 322.321 -0.065 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1noc(C)n1 ZINC001599194864 997196170 /nfs/dbraw/zinc/19/61/70/997196170.db2.gz LLMSZTUBUZKDMQ-LLVKDONJSA-N -1 0 319.339 -0.227 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1coc(C)n1 ZINC001405344127 997212699 /nfs/dbraw/zinc/21/26/99/997212699.db2.gz HAJWSQJRMXAVGI-VIFPVBQESA-N -1 0 324.341 -0.330 20 0 DBADRM Cc1cc(CC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)no1 ZINC001392825925 997242561 /nfs/dbraw/zinc/24/25/61/997242561.db2.gz UYXVOEHEXLPFED-JTQLQIEISA-N -1 0 306.326 -0.260 20 0 DBADRM C[C@@H](CNC(=O)C1CCCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001392979667 997344544 /nfs/dbraw/zinc/34/45/44/997344544.db2.gz KWVQTHJRMDKLIT-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNC(=O)CC2CC2)c1[O-] ZINC001405608836 997344735 /nfs/dbraw/zinc/34/47/35/997344735.db2.gz SZYJJYPSFJOSSN-JTQLQIEISA-N -1 0 310.354 -0.227 20 0 DBADRM C[C@@]1(NC(=O)[C@]2(F)CCOC2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393103803 997417238 /nfs/dbraw/zinc/41/72/38/997417238.db2.gz CDAIATOJXWYLGQ-OLZOCXBDSA-N -1 0 313.333 -0.281 20 0 DBADRM C[C@]1(NC(=O)CCc2c[nH]cn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393103671 997417806 /nfs/dbraw/zinc/41/78/06/997417806.db2.gz AKPURPMUXMDOGZ-AWEZNQCLSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNCc2nncn2C)c1[O-] ZINC001405812245 997431614 /nfs/dbraw/zinc/43/16/14/997431614.db2.gz LBCHGYSUPLRLEE-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM CC(=O)N[C@H](C)C[C@@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001405883129 997457592 /nfs/dbraw/zinc/45/75/92/997457592.db2.gz BZVGMOJJKFTMII-HTQZYQBOSA-N -1 0 311.342 -0.365 20 0 DBADRM CC(=O)N[C@H](C)C[C@@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001405922892 997467617 /nfs/dbraw/zinc/46/76/17/997467617.db2.gz YAFYRRYTBJABHQ-RKDXNWHRSA-N -1 0 313.358 -0.111 20 0 DBADRM CCNC(=O)CC(=O)N[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001494026324 1016127133 /nfs/dbraw/zinc/12/71/33/1016127133.db2.gz YBQKFQZTELHJNB-KYZUINATSA-N -1 0 323.353 -0.673 20 0 DBADRM Cc1occc1C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393244880 997487317 /nfs/dbraw/zinc/48/73/17/997487317.db2.gz WQCXRCQQMKVZKN-CQSZACIVSA-N -1 0 321.337 -0.221 20 0 DBADRM CN(CCN(C)C(=O)c1c[nH]c(=O)n1C)Cc1n[nH]c(=O)[n-]1 ZINC001406120347 997529703 /nfs/dbraw/zinc/52/97/03/997529703.db2.gz FMDGSLDEKZLZJM-UHFFFAOYSA-N -1 0 309.330 -0.847 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001393295555 997551175 /nfs/dbraw/zinc/55/11/75/997551175.db2.gz IOXWVISDLZFPNX-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(CC1CCC1)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001393298087 997554791 /nfs/dbraw/zinc/55/47/91/997554791.db2.gz ONYQRPVZYVWYJT-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1ncc(CN2CC(O)(CNC(=O)c3[nH]nc(C)c3[O-])C2)o1 ZINC001393313405 997572303 /nfs/dbraw/zinc/57/23/03/997572303.db2.gz QJCHFLKHARWRQE-UHFFFAOYSA-N -1 0 321.337 -0.303 20 0 DBADRM CC(C)(C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC001393326922 997587948 /nfs/dbraw/zinc/58/79/48/997587948.db2.gz BUQNUXSZWAEHGK-UHFFFAOYSA-N -1 0 323.397 -0.001 20 0 DBADRM CCOCC[C@@H](O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001596899113 1017179054 /nfs/dbraw/zinc/17/90/54/1017179054.db2.gz ITCQWOQCGTWRNA-GHMZBOCLSA-N -1 0 309.384 -0.652 20 0 DBADRM CCOCCCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001596905227 1017179164 /nfs/dbraw/zinc/17/91/64/1017179164.db2.gz VPTNWXSFYJSEQA-JOYOIKCWSA-N -1 0 307.368 -0.193 20 0 DBADRM CCOCCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C[C@H]21 ZINC001596897208 1017179059 /nfs/dbraw/zinc/17/90/59/1017179059.db2.gz NABVZMSCSATACO-HKLXJQGRSA-N -1 0 310.350 -0.293 20 0 DBADRM O=C(CC1CC1)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001393506520 997700598 /nfs/dbraw/zinc/70/05/98/997700598.db2.gz GLEVUMPNNYBBTA-UHFFFAOYSA-N -1 0 307.310 -0.539 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001406591941 997827270 /nfs/dbraw/zinc/82/72/70/997827270.db2.gz QCDZOEBPZGXQGJ-DOLQZWNJSA-N -1 0 323.353 -0.644 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@H]1CCN(C)C1=O ZINC001406625992 997839367 /nfs/dbraw/zinc/83/93/67/997839367.db2.gz MXIVWWZRVNWRHO-NXEZZACHSA-N -1 0 324.385 -0.685 20 0 DBADRM C[C@H](CN(C)Cc1ccns1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001406638094 997842065 /nfs/dbraw/zinc/84/20/65/997842065.db2.gz GGUUDKJCKIXNIY-SSDOTTSWSA-N -1 0 324.366 -0.010 20 0 DBADRM C[C@@H](CN(C)Cc1ccon1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001406640062 997843773 /nfs/dbraw/zinc/84/37/73/997843773.db2.gz KYAKJDMVDYKSRJ-ZETCQYMHSA-N -1 0 308.298 -0.479 20 0 DBADRM CC(=O)NCc1nc(CNC(=O)Cc2[nH]cnc2C)cc(=O)[nH]1 ZINC001406687136 997854782 /nfs/dbraw/zinc/85/47/82/997854782.db2.gz SSJHLSFEJVRCSS-UHFFFAOYSA-N -1 0 318.337 -0.291 20 0 DBADRM CCn1cc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)nn1 ZINC001393977913 997912714 /nfs/dbraw/zinc/91/27/14/997912714.db2.gz DADWAHVQUTURRC-BDAKNGLRSA-N -1 0 322.373 -0.984 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)c1cn2c(n1)CCC2 ZINC001406930243 997942158 /nfs/dbraw/zinc/94/21/58/997942158.db2.gz CRZRNEJAMGHSMC-UHFFFAOYSA-N -1 0 317.353 -0.295 20 0 DBADRM CCc1nn(C)cc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001406937259 997944572 /nfs/dbraw/zinc/94/45/72/997944572.db2.gz LTYMJEUZHHJIFO-UHFFFAOYSA-N -1 0 319.369 -0.142 20 0 DBADRM O=C(COCC(F)F)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001406963615 997957714 /nfs/dbraw/zinc/95/77/14/997957714.db2.gz SEQXACDTCKVSBI-UHFFFAOYSA-N -1 0 305.285 -0.470 20 0 DBADRM CCc1cc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)n(C)n1 ZINC001406978407 997964110 /nfs/dbraw/zinc/96/41/10/997964110.db2.gz OCBPLXJRCAXPOB-UHFFFAOYSA-N -1 0 319.369 -0.142 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1cncn1C ZINC001394089576 997972713 /nfs/dbraw/zinc/97/27/13/997972713.db2.gz LEBNPOGEZLXQRK-MRVPVSSYSA-N -1 0 321.341 -0.733 20 0 DBADRM CCNC(=O)CCCC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407071825 997998977 /nfs/dbraw/zinc/99/89/77/997998977.db2.gz ASHAHXUEJHBHBL-UHFFFAOYSA-N -1 0 324.385 -0.541 20 0 DBADRM CCOCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001596939727 1017180844 /nfs/dbraw/zinc/18/08/44/1017180844.db2.gz SCLPNOIGHAGWGO-IUCAKERBSA-N -1 0 309.340 -0.842 20 0 DBADRM C[C@@H](NC(=O)Cc1ccon1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001394215092 998035434 /nfs/dbraw/zinc/03/54/34/998035434.db2.gz FQLXOGLYVRSTEG-MRVPVSSYSA-N -1 0 306.326 -0.323 20 0 DBADRM Cn1ccc(CC(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001407161907 998044611 /nfs/dbraw/zinc/04/46/11/998044611.db2.gz AUTSVHWTZMJNGL-CQSZACIVSA-N -1 0 319.369 -0.433 20 0 DBADRM CCOCCNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001596929447 1017180783 /nfs/dbraw/zinc/18/07/83/1017180783.db2.gz HIBYMSDSBDGXNA-UHFFFAOYSA-N -1 0 312.326 -0.206 20 0 DBADRM CCOC[C@H](C)NC(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001596945593 1017180795 /nfs/dbraw/zinc/18/07/95/1017180795.db2.gz LBBDGJWSLDNHAJ-TVQRCGJNSA-N -1 0 302.327 -0.770 20 0 DBADRM CC[C@@H](F)CN1CC([C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001394260480 998066586 /nfs/dbraw/zinc/06/65/86/998066586.db2.gz TUBWTFHUTVBMQK-PSASIEDQSA-N -1 0 315.349 -0.126 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccsc1 ZINC001407327194 998109134 /nfs/dbraw/zinc/10/91/34/998109134.db2.gz GUZZVZHLVCLGTO-ZDUSSCGKSA-N -1 0 323.378 -0.061 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001407353188 998124556 /nfs/dbraw/zinc/12/45/56/998124556.db2.gz CCXFVQQGILFWLK-SQYUCLKFSA-N -1 0 321.381 -0.391 20 0 DBADRM CC1(C)CC[C@@H]1C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407361695 998133406 /nfs/dbraw/zinc/13/34/06/998133406.db2.gz HYUBZPUCOBOACI-BMIGLBTASA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001407364210 998136590 /nfs/dbraw/zinc/13/65/90/998136590.db2.gz HZOSHVAROGOBPL-FIXISWKDSA-N -1 0 321.381 -0.391 20 0 DBADRM CC(=O)NC[C@]1(C)CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001394433120 998139133 /nfs/dbraw/zinc/13/91/33/998139133.db2.gz BTAXNMHLWHUGMT-AWEZNQCLSA-N -1 0 323.353 -0.410 20 0 DBADRM CCOCCOC[C@@H](O)CNC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001596934510 1017181276 /nfs/dbraw/zinc/18/12/76/1017181276.db2.gz MZBJQICIBMLJAZ-JTQLQIEISA-N -1 0 300.311 -0.143 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NCc2nnn(C)n2)c1[O-] ZINC001394463578 998150956 /nfs/dbraw/zinc/15/09/56/998150956.db2.gz CVNVVBNZFZQLQA-ZETCQYMHSA-N -1 0 308.346 -0.802 20 0 DBADRM Cc1ccc(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC001407384737 998154516 /nfs/dbraw/zinc/15/45/16/998154516.db2.gz OWAJKZHUXHGKBJ-UHFFFAOYSA-N -1 0 320.353 -0.866 20 0 DBADRM CC(C)(C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001407421367 998187096 /nfs/dbraw/zinc/18/70/96/998187096.db2.gz ORWXESOXJJDIMI-UHFFFAOYSA-N -1 0 309.370 -0.391 20 0 DBADRM C[C@H]1CCC[C@@]1(C)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407421160 998187472 /nfs/dbraw/zinc/18/74/72/998187472.db2.gz AMPSKOQVDBFGOP-IINYFYTJSA-N -1 0 323.397 -0.001 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN2CCN(C(=O)C(C)C)CC2)c1[O-] ZINC001407428424 998192075 /nfs/dbraw/zinc/19/20/75/998192075.db2.gz FTGPZGQAOIVRRK-UHFFFAOYSA-N -1 0 323.397 -0.046 20 0 DBADRM CC[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407441490 998201513 /nfs/dbraw/zinc/20/15/13/998201513.db2.gz UHORVCRRGSUIBA-VHSXEESVSA-N -1 0 311.386 -0.145 20 0 DBADRM Cc1cccc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)n1 ZINC001394569783 998204156 /nfs/dbraw/zinc/20/41/56/998204156.db2.gz HDUYKAUHHGHLGE-VIFPVBQESA-N -1 0 306.326 -0.906 20 0 DBADRM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407466334 998214797 /nfs/dbraw/zinc/21/47/97/998214797.db2.gz PEASAOKESTXAPO-VHSXEESVSA-N -1 0 309.370 -0.535 20 0 DBADRM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407466346 998216217 /nfs/dbraw/zinc/21/62/17/998216217.db2.gz PEASAOKESTXAPO-ZJUUUORDSA-N -1 0 309.370 -0.535 20 0 DBADRM CCOCCOCCN(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001596934547 1017181736 /nfs/dbraw/zinc/18/17/36/1017181736.db2.gz OEAVFSXJWYGVIT-UHFFFAOYSA-N -1 0 321.355 -0.219 20 0 DBADRM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1)C(C)C ZINC001494238408 1016201895 /nfs/dbraw/zinc/20/18/95/1016201895.db2.gz RUBWBIYFKHNZOQ-JFGNBEQYSA-N -1 0 322.369 -0.658 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NCc3cnn(C)n3)CCC2)c1[O-] ZINC001407782134 998368732 /nfs/dbraw/zinc/36/87/32/998368732.db2.gz DJTZVLXEWXLEQE-UHFFFAOYSA-N -1 0 319.369 -0.005 20 0 DBADRM COCC(=O)N[C@H]1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001407803333 998376777 /nfs/dbraw/zinc/37/67/77/998376777.db2.gz QEJNROZTTNRJIM-KYZUINATSA-N -1 0 319.321 -0.954 20 0 DBADRM COCc1cc(C(=O)NC[C@H](C)NC(=O)c2cn[nH]n2)no1 ZINC001408155533 998527662 /nfs/dbraw/zinc/52/76/62/998527662.db2.gz JLOLGNLMKJMJAH-ZETCQYMHSA-N -1 0 308.298 -0.513 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CC(=O)N[C@H](C)C(C)C)C2)c1[O-] ZINC001494370701 1016229748 /nfs/dbraw/zinc/22/97/48/1016229748.db2.gz LCMORBOKRDFYDK-SECBINFHSA-N -1 0 323.397 -0.002 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CC(=O)N[C@@H](C)C(C)C)C2)c1[O-] ZINC001494370727 1016230177 /nfs/dbraw/zinc/23/01/77/1016230177.db2.gz LCMORBOKRDFYDK-VIFPVBQESA-N -1 0 323.397 -0.002 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CC1CCC1 ZINC001408266117 998579990 /nfs/dbraw/zinc/57/99/90/998579990.db2.gz VBDJPKHYSYIPLB-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CC1CCC1 ZINC001408266124 998580642 /nfs/dbraw/zinc/58/06/42/998580642.db2.gz VBDJPKHYSYIPLB-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)Cn2ccnc2)c1[O-] ZINC001395109085 998608305 /nfs/dbraw/zinc/60/83/05/998608305.db2.gz LCMDEULBVAILIE-SECBINFHSA-N -1 0 320.353 -0.103 20 0 DBADRM CC(C)OCC(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001494355814 1016227097 /nfs/dbraw/zinc/22/70/97/1016227097.db2.gz QSYJJAYBDCEUSE-UHFFFAOYSA-N -1 0 319.365 -0.252 20 0 DBADRM COC[C@H](C)C(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001494356716 1016227145 /nfs/dbraw/zinc/22/71/45/1016227145.db2.gz WUXRBKIICPXVRO-JTQLQIEISA-N -1 0 319.365 -0.395 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)c1cc[nH]c1 ZINC001395136982 998616573 /nfs/dbraw/zinc/61/65/73/998616573.db2.gz VEHWAPHEADJWHL-QMMMGPOBSA-N -1 0 322.325 -0.706 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)[C@H]1C[C@@H]1C ZINC001395141923 998618594 /nfs/dbraw/zinc/61/85/94/998618594.db2.gz NJVCGGUYXWQTPQ-RNJXMRFFSA-N -1 0 309.326 -0.485 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)Cc2nc[nH]n2)c1[O-] ZINC001395181171 998628445 /nfs/dbraw/zinc/62/84/45/998628445.db2.gz JRHJHAGZGLAAKU-SSDOTTSWSA-N -1 0 321.341 -0.639 20 0 DBADRM CC(=O)N(C)[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001395480873 998671128 /nfs/dbraw/zinc/67/11/28/998671128.db2.gz WSIDYOCRWNYZGI-NSHDSACASA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@H](CN(C)C(=O)C1CC(C)C1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001395555806 998683765 /nfs/dbraw/zinc/68/37/65/998683765.db2.gz FZRGLRYTLAOKEE-QJAFJHJLSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)c2cn[nH]n2)c1[O-] ZINC001395606649 998694640 /nfs/dbraw/zinc/69/46/40/998694640.db2.gz OOXJTMYGXCSMFR-LURJTMIESA-N -1 0 307.314 -0.568 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@H](C)C(C)C)c1[O-] ZINC001395816797 998788423 /nfs/dbraw/zinc/78/84/23/998788423.db2.gz ZWSANPQLMISYBE-PSASIEDQSA-N -1 0 312.370 -0.077 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001395831827 998791595 /nfs/dbraw/zinc/79/15/95/998791595.db2.gz UIEMIARHNQBZET-PSASIEDQSA-N -1 0 311.342 -0.405 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001596980862 1017183548 /nfs/dbraw/zinc/18/35/48/1017183548.db2.gz OOXBOLIZWPOOQU-NXEZZACHSA-N -1 0 317.342 -0.930 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])[C@H]1C ZINC001395835066 998792242 /nfs/dbraw/zinc/79/22/42/998792242.db2.gz AKPIKGVKMXDSRD-WPRPVWTQSA-N -1 0 323.353 -0.721 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN(C)C(=O)C2CCC2)c1[O-] ZINC001395968541 998805762 /nfs/dbraw/zinc/80/57/62/998805762.db2.gz PCFBJWXWYXTBSO-JTQLQIEISA-N -1 0 310.354 -0.227 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNC(=O)C2(C)CC2)c1[O-] ZINC001396004054 998815873 /nfs/dbraw/zinc/81/58/73/998815873.db2.gz XBXQOHRMRMVMMG-SECBINFHSA-N -1 0 310.354 -0.227 20 0 DBADRM COC[C@@H](C)N1CC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001494409777 1016255162 /nfs/dbraw/zinc/25/51/62/1016255162.db2.gz BWUURMVRQGMGRX-SECBINFHSA-N -1 0 313.358 -0.695 20 0 DBADRM CC(C)C(=O)NCC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001396851502 998907785 /nfs/dbraw/zinc/90/77/85/998907785.db2.gz TTWBVQXEGDIHKT-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2nnn(C)c2C)c1[O-] ZINC001397402212 999035531 /nfs/dbraw/zinc/03/55/31/999035531.db2.gz SGVOIHOVIGFALO-ZCFIWIBFSA-N -1 0 321.341 -0.591 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CC(C)(C)C ZINC001397514050 999068309 /nfs/dbraw/zinc/06/83/09/999068309.db2.gz GHLGGPZSAKUVCT-MRVPVSSYSA-N -1 0 313.358 -0.254 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CCCF ZINC001397520196 999070766 /nfs/dbraw/zinc/07/07/66/999070766.db2.gz MBMVYKAAYSOSHB-ZCFIWIBFSA-N -1 0 301.278 -0.733 20 0 DBADRM CC[C@H](C)CC(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397521440 999071070 /nfs/dbraw/zinc/07/10/70/999071070.db2.gz NCRKQOTYINWFME-JGVFFNPUSA-N -1 0 311.342 -0.047 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)C[C@@H]1CCC(=O)N1 ZINC001397565503 999082544 /nfs/dbraw/zinc/08/25/44/999082544.db2.gz CRZMXBRDWFHABR-UWVGGRQHSA-N -1 0 322.369 -0.788 20 0 DBADRM CC(=O)N[C@H](C)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001397837490 999144384 /nfs/dbraw/zinc/14/43/84/999144384.db2.gz ILJHDFBPNYKVEC-MRVPVSSYSA-N -1 0 306.326 -0.898 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2nnn(C)c2C)c1[O-] ZINC001397887531 999159421 /nfs/dbraw/zinc/15/94/21/999159421.db2.gz QLJSQTGYXNYSIR-UHFFFAOYSA-N -1 0 321.341 -0.637 20 0 DBADRM CCC[C@H](C)C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397885065 999159456 /nfs/dbraw/zinc/15/94/56/999159456.db2.gz OQTRDZHCZXFJQT-VIFPVBQESA-N -1 0 313.358 -0.300 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2ncn(C)n2)c1[O-] ZINC001397893482 999161641 /nfs/dbraw/zinc/16/16/41/999161641.db2.gz AWPQZLIHIMJARR-UHFFFAOYSA-N -1 0 307.314 -0.946 20 0 DBADRM CN(C(=O)CCCC(N)=O)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001398236384 999227173 /nfs/dbraw/zinc/22/71/73/999227173.db2.gz SGUJNUAGNPQAPP-UHFFFAOYSA-N -1 0 324.385 -0.411 20 0 DBADRM O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cocn1 ZINC001398270534 999233893 /nfs/dbraw/zinc/23/38/93/999233893.db2.gz MXBNPYKTNRIIKE-UHFFFAOYSA-N -1 0 321.341 -0.954 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1CN(CCCO)C1 ZINC001494502565 1016299441 /nfs/dbraw/zinc/29/94/41/1016299441.db2.gz OWRQRBITOYAUKD-UHFFFAOYSA-N -1 0 311.304 -0.374 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001398585912 999306931 /nfs/dbraw/zinc/30/69/31/999306931.db2.gz NLLQORDBEBJKKY-SNVBAGLBSA-N -1 0 323.353 -0.721 20 0 DBADRM CNC(=O)CCCC(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001398588155 999307817 /nfs/dbraw/zinc/30/78/17/999307817.db2.gz QURFAHHVMOFPDT-UHFFFAOYSA-N -1 0 323.353 -0.719 20 0 DBADRM CC1(C(=O)NC2CN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001398603537 999313671 /nfs/dbraw/zinc/31/36/71/999313671.db2.gz HFFKPXUAQXRXRL-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001398648019 999325772 /nfs/dbraw/zinc/32/57/72/999325772.db2.gz VKGPLHSUPWPOBV-VXNVDRBHSA-N -1 0 321.337 -0.802 20 0 DBADRM O=C(Cn1cccn1)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001398723662 999345903 /nfs/dbraw/zinc/34/59/03/999345903.db2.gz IXVJGKTZJOBYCM-NSHDSACASA-N -1 0 319.369 -0.122 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001398761843 999353044 /nfs/dbraw/zinc/35/30/44/999353044.db2.gz XRCBOWVONWSWAH-MRVPVSSYSA-N -1 0 323.353 -0.863 20 0 DBADRM CC(=O)NCC(=O)N[C@H](C)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001398780469 999356285 /nfs/dbraw/zinc/35/62/85/999356285.db2.gz KNNCOKOSTBFXDT-KOLCDFICSA-N -1 0 324.385 -0.637 20 0 DBADRM CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001398822284 999362148 /nfs/dbraw/zinc/36/21/48/999362148.db2.gz ZKSYXYMDCGZFHG-UWVGGRQHSA-N -1 0 323.353 -0.309 20 0 DBADRM CC[C@@H](CNC(=O)Cn1cccn1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001398884513 999370647 /nfs/dbraw/zinc/37/06/47/999370647.db2.gz NCDQZMMHXQPQHC-JTQLQIEISA-N -1 0 320.353 -0.055 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(C)C ZINC001399022630 999396686 /nfs/dbraw/zinc/39/66/86/999396686.db2.gz IBCFWHKWIFBEJQ-SSDOTTSWSA-N -1 0 311.342 -0.047 20 0 DBADRM CC[C@@H](CNC(=O)CCCF)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001399063241 999403325 /nfs/dbraw/zinc/40/33/25/999403325.db2.gz VUNNKZCIZHVGCI-QMMMGPOBSA-N -1 0 317.321 -0.550 20 0 DBADRM CN(CCNC(=O)c1cccc(C(N)=O)c1)Cc1n[nH]c(=O)[n-]1 ZINC001399496237 999437237 /nfs/dbraw/zinc/43/72/37/999437237.db2.gz FTQCUZLCOKUGQU-UHFFFAOYSA-N -1 0 318.337 -0.529 20 0 DBADRM CN(CCNC(=O)Cc1ccc(F)cn1)Cc1n[nH]c(=O)[n-]1 ZINC001399497806 999438284 /nfs/dbraw/zinc/43/82/84/999438284.db2.gz PBQYBXWFNUPHPD-UHFFFAOYSA-N -1 0 308.317 -0.165 20 0 DBADRM CN(CCNC(=O)[C@]12CCC[C@H]1OCC2)Cc1nn(C)c(=O)[n-]1 ZINC001399523602 999441451 /nfs/dbraw/zinc/44/14/51/999441451.db2.gz AFTDGMMBRYJPJK-ABAIWWIYSA-N -1 0 323.397 -0.384 20 0 DBADRM COc1cncc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001399579804 999448274 /nfs/dbraw/zinc/44/82/74/999448274.db2.gz QNGXCBWZTRDSPF-UHFFFAOYSA-N -1 0 307.314 -0.829 20 0 DBADRM CC(=O)N[C@@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C(C)C ZINC001399615791 999453441 /nfs/dbraw/zinc/45/34/41/999453441.db2.gz KBLMBDXENMCGMY-JTQLQIEISA-N -1 0 311.342 -0.508 20 0 DBADRM CCN(CCNC(=O)[C@@H]1CCC(=O)N1C)Cc1n[nH]c(=O)[n-]1 ZINC001399730125 999470190 /nfs/dbraw/zinc/47/01/90/999470190.db2.gz FIHAQWKTXUDNDG-VIFPVBQESA-N -1 0 310.358 -0.931 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)Cc1n[nH]c(=O)[n-]1 ZINC001399733031 999470284 /nfs/dbraw/zinc/47/02/84/999470284.db2.gz WNFKFCVQUDHVLZ-OQEOFVATSA-N -1 0 321.381 -0.128 20 0 DBADRM O=C(CCn1cccn1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001399885323 999514330 /nfs/dbraw/zinc/51/43/30/999514330.db2.gz DCGZLRCELPVOLU-LLVKDONJSA-N -1 0 319.369 -0.265 20 0 DBADRM O=C(CCn1cccn1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001399885326 999515003 /nfs/dbraw/zinc/51/50/03/999515003.db2.gz DCGZLRCELPVOLU-NSHDSACASA-N -1 0 319.369 -0.265 20 0 DBADRM Cc1nnc(CC(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001399894946 999518002 /nfs/dbraw/zinc/51/80/02/999518002.db2.gz JNIQMAWWJHNZGE-VIFPVBQESA-N -1 0 320.357 -0.882 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001399919529 999524157 /nfs/dbraw/zinc/52/41/57/999524157.db2.gz ALSDMDNUMFNMOH-SNVBAGLBSA-N -1 0 324.385 -0.637 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001399946165 999531200 /nfs/dbraw/zinc/53/12/00/999531200.db2.gz OEXWWLCNALWVBE-JTQLQIEISA-N -1 0 319.369 -0.277 20 0 DBADRM CCCN(CCNC(=O)C1CN(C(C)=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001399960819 999534378 /nfs/dbraw/zinc/53/43/78/999534378.db2.gz WFFSTXFJOKMKRA-UHFFFAOYSA-N -1 0 324.385 -0.683 20 0 DBADRM CCCN(CCNC(=O)Cc1nnc(C)[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001399962699 999534950 /nfs/dbraw/zinc/53/49/50/999534950.db2.gz YZCGXOGISOSWLW-UHFFFAOYSA-N -1 0 322.373 -0.492 20 0 DBADRM CCOCC(=O)NC[C@@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001399966152 999535184 /nfs/dbraw/zinc/53/51/84/999535184.db2.gz VQVQJIHJFPDKMT-SECBINFHSA-N -1 0 321.337 -0.706 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H](C)C1CCC1 ZINC001399999935 999541428 /nfs/dbraw/zinc/54/14/28/999541428.db2.gz IWUFQAMGEXKZSE-HTQZYQBOSA-N -1 0 323.353 -0.047 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001400163879 999573539 /nfs/dbraw/zinc/57/35/39/999573539.db2.gz BPQCMKKAPUFWGK-ZETCQYMHSA-N -1 0 311.342 -0.863 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001597216052 1017190618 /nfs/dbraw/zinc/19/06/18/1017190618.db2.gz RCUIKSHCERZHCW-UHFFFAOYSA-N -1 0 301.324 0.000 20 0 DBADRM CCS(=O)(=O)CCCNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001597210099 1017188723 /nfs/dbraw/zinc/18/87/23/1017188723.db2.gz WOMPSQDKXHZMNK-UHFFFAOYSA-N -1 0 303.340 -0.478 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001597209129 1017188823 /nfs/dbraw/zinc/18/88/23/1017188823.db2.gz ANEASNUZELOCCQ-UHFFFAOYSA-N -1 0 303.340 -0.526 20 0 DBADRM CCS(=O)(=O)C1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001597207800 1017188900 /nfs/dbraw/zinc/18/89/00/1017188900.db2.gz MDLBKKINUWAXJI-UHFFFAOYSA-N -1 0 323.348 -0.215 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001597223851 1017191275 /nfs/dbraw/zinc/19/12/75/1017191275.db2.gz BAYJISHSVILPJT-SCZZXKLOSA-N -1 0 306.384 -0.069 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597216201 1017191290 /nfs/dbraw/zinc/19/12/90/1017191290.db2.gz VVLSHHNOUOPVAN-AOOOYVTPSA-N -1 0 306.384 -0.115 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597224618 1017191409 /nfs/dbraw/zinc/19/14/09/1017191409.db2.gz FKHWTOHEPXMYPL-AOOOYVTPSA-N -1 0 321.399 -0.180 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@@H]2C(=O)[O-])C1 ZINC001597219228 1017191496 /nfs/dbraw/zinc/19/14/96/1017191496.db2.gz KPXGAYONVVFIQM-NXEZZACHSA-N -1 0 304.368 -0.266 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](CCF)C(=O)[O-])C1 ZINC001597222038 1017191536 /nfs/dbraw/zinc/19/15/36/1017191536.db2.gz UNEXYEIXOAPJQV-VHSXEESVSA-N -1 0 324.374 -0.023 20 0 DBADRM CCS(=O)(=O)NCC(=O)N(C)[C@H](COC1CCC1)C(=O)[O-] ZINC001597224563 1017190908 /nfs/dbraw/zinc/19/09/08/1017190908.db2.gz CVUYBHYHZJQQIJ-SNVBAGLBSA-N -1 0 322.383 -0.594 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001597224116 1017191013 /nfs/dbraw/zinc/19/10/13/1017191013.db2.gz KXMGYIIQRQUHCH-OPRDCNLKSA-N -1 0 322.383 -0.547 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC001597224606 1017191120 /nfs/dbraw/zinc/19/11/20/1017191120.db2.gz ZDWULZYZQSSQNN-OPRDCNLKSA-N -1 0 322.383 -0.595 20 0 DBADRM CCS(=O)(=O)c1cccc(CC(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC001597243014 1017192297 /nfs/dbraw/zinc/19/22/97/1017192297.db2.gz KTNPHVSLZCAXOS-NSHDSACASA-N -1 0 315.347 -0.416 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001597249078 1017192746 /nfs/dbraw/zinc/19/27/46/1017192746.db2.gz GEBRKTZIBDPFLU-ULQSSITMSA-N -1 0 318.395 -0.560 20 0 DBADRM CCS(=O)(=O)NCC(=O)NC(C)(C)c1nocc1C(=O)[O-] ZINC001597225837 1017193470 /nfs/dbraw/zinc/19/34/70/1017193470.db2.gz WXWQQTKHTJQZEM-UHFFFAOYSA-N -1 0 319.339 -0.337 20 0 DBADRM CCS(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001597225655 1017194089 /nfs/dbraw/zinc/19/40/89/1017194089.db2.gz VMPBHOYSKCZCDP-NXEZZACHSA-N -1 0 322.383 -0.736 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001597225564 1017194216 /nfs/dbraw/zinc/19/42/16/1017194216.db2.gz RVQWNUPDSVDOMN-RKDXNWHRSA-N -1 0 307.372 -0.664 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001591035813 1016374386 /nfs/dbraw/zinc/37/43/86/1016374386.db2.gz IWZGFIYMDSACQE-ONGXEEELSA-N -1 0 322.383 -0.738 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001591036035 1016374753 /nfs/dbraw/zinc/37/47/53/1016374753.db2.gz OWPMROLIWDMWDJ-JOYOIKCWSA-N -1 0 322.383 -0.832 20 0 DBADRM CN(CC(=O)NC(C)(C)C)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001591038010 1016376155 /nfs/dbraw/zinc/37/61/55/1016376155.db2.gz ZFSBEKQPZBIDRU-UHFFFAOYSA-N -1 0 319.369 -0.168 20 0 DBADRM CN(CC1(CO)CC1)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591053684 1016382013 /nfs/dbraw/zinc/38/20/13/1016382013.db2.gz WPPVFXHRZNJNRS-UHFFFAOYSA-N -1 0 324.366 -0.345 20 0 DBADRM CC(C)C1CN(C(=O)C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001591094860 1016385157 /nfs/dbraw/zinc/38/51/57/1016385157.db2.gz PPGKKPUJMGDZND-UHFFFAOYSA-N -1 0 313.354 -0.802 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NC(C)(C)CC(=O)[O-] ZINC001591109234 1016391471 /nfs/dbraw/zinc/39/14/71/1016391471.db2.gz YXVUSHFDNHNTGZ-SECBINFHSA-N -1 0 315.370 -0.238 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001591108924 1016391059 /nfs/dbraw/zinc/39/10/59/1016391059.db2.gz OKOOEBNAWHZYRR-QWRGUYRKSA-N -1 0 300.355 -0.167 20 0 DBADRM CN(CCNC(=O)[C@H]1CC1(C)C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001408551579 1000220414 /nfs/dbraw/zinc/22/04/14/1000220414.db2.gz WOTRLAMEURFNGF-MRVPVSSYSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@H](C)n2cncn2)c1[O-] ZINC001408549627 1000220499 /nfs/dbraw/zinc/22/04/99/1000220499.db2.gz QFMPUOWMBIDMKF-VIFPVBQESA-N -1 0 321.341 -0.535 20 0 DBADRM CC(C)C[C@@H](CNC(=O)c1cnn(C[C@@H](O)CO)c1)C(=O)[O-] ZINC001591156127 1016395246 /nfs/dbraw/zinc/39/52/46/1016395246.db2.gz IYWNBVYYIFQPTK-CMPLNLGQSA-N -1 0 313.354 -0.287 20 0 DBADRM CN(C[C@H]1CCCO1)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591126638 1016395917 /nfs/dbraw/zinc/39/59/17/1016395917.db2.gz VQQCELGEJOPVNK-SECBINFHSA-N -1 0 321.345 -0.721 20 0 DBADRM Cn1ccnc1[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(F)(F)F ZINC001420778473 1000241129 /nfs/dbraw/zinc/24/11/29/1000241129.db2.gz XTMQZYIYQXRROQ-ZCFIWIBFSA-N -1 0 320.231 -0.157 20 0 DBADRM Cn1ccnc1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(F)(F)F ZINC001420778469 1000241358 /nfs/dbraw/zinc/24/13/58/1000241358.db2.gz XTMQZYIYQXRROQ-LURJTMIESA-N -1 0 320.231 -0.157 20 0 DBADRM CN(c1ccc(-c2nn[nH]n2)nn1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001591157002 1016396578 /nfs/dbraw/zinc/39/65/78/1016396578.db2.gz RNGFSKLYYQHASD-MRVPVSSYSA-N -1 0 324.370 -0.873 20 0 DBADRM CN(CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C(=O)C1CC1 ZINC001408620629 1000249550 /nfs/dbraw/zinc/24/95/50/1000249550.db2.gz ANPBMRBBIVBQBQ-UHFFFAOYSA-N -1 0 309.326 -0.800 20 0 DBADRM CN(c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C1CCCC1 ZINC001591154803 1016397957 /nfs/dbraw/zinc/39/79/57/1016397957.db2.gz KXUHLNWRBBKVIC-UHFFFAOYSA-N -1 0 305.342 -0.357 20 0 DBADRM CC(C)C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)C(N)=O ZINC001591163043 1016400817 /nfs/dbraw/zinc/40/08/17/1016400817.db2.gz UOASCTXRVCEMOB-SECBINFHSA-N -1 0 309.326 -0.397 20 0 DBADRM CCN(CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C(=O)C1CC1 ZINC001408766156 1000294153 /nfs/dbraw/zinc/29/41/53/1000294153.db2.gz XYOLRSHFTLCMBS-UHFFFAOYSA-N -1 0 323.353 -0.410 20 0 DBADRM CCN(CCNC(=O)CCCF)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001408779925 1000295555 /nfs/dbraw/zinc/29/55/55/1000295555.db2.gz HHCJGLCZJBWTHP-UHFFFAOYSA-N -1 0 315.305 -0.389 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001408781024 1000295806 /nfs/dbraw/zinc/29/58/06/1000295806.db2.gz VDZWSVDATWHYOJ-YUMQZZPRSA-N -1 0 309.326 -0.483 20 0 DBADRM Cc1cc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)cnn1 ZINC001420929046 1000299634 /nfs/dbraw/zinc/29/96/34/1000299634.db2.gz FELPYAMXRDGGMZ-UHFFFAOYSA-N -1 0 303.326 -0.339 20 0 DBADRM CCCC(=O)NC[C@@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001408808142 1000300953 /nfs/dbraw/zinc/30/09/53/1000300953.db2.gz JCKUBEBIUCJIQN-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@H](C(=O)N(C)Cc2n[n-]c(=O)o2)C1 ZINC001420970571 1000317573 /nfs/dbraw/zinc/31/75/73/1000317573.db2.gz DYGOBUSWTSJFIR-JTQLQIEISA-N -1 0 320.309 -0.031 20 0 DBADRM COC(=O)c1c(NC(=O)c2nccnc2C)n[n-]c1OCCO ZINC001420987054 1000322277 /nfs/dbraw/zinc/32/22/77/1000322277.db2.gz MHPQAPTZDWQKFK-UHFFFAOYSA-N -1 0 321.293 -0.082 20 0 DBADRM CCCn1cc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC001421001530 1000327888 /nfs/dbraw/zinc/32/78/88/1000327888.db2.gz ZVQAACFRBJCXFQ-UHFFFAOYSA-N -1 0 320.357 -0.436 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)CN1CCCC1=O)C(=O)[O-] ZINC001591172052 1016406146 /nfs/dbraw/zinc/40/61/46/1016406146.db2.gz XAJNMUPZQYZGNQ-JTQLQIEISA-N -1 0 314.338 -0.233 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)[C@H]1COCCO1)C(=O)[O-] ZINC001591172025 1016406153 /nfs/dbraw/zinc/40/61/53/1016406153.db2.gz WQRRWAYRFQXPOL-NXEZZACHSA-N -1 0 303.311 -0.440 20 0 DBADRM C[C@@H](O)CN1CC(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC001421100834 1000364753 /nfs/dbraw/zinc/36/47/53/1000364753.db2.gz MVGQQANGBGESST-SSDOTTSWSA-N -1 0 311.304 -0.375 20 0 DBADRM Cc1cc(OCC(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001421140360 1000382961 /nfs/dbraw/zinc/38/29/61/1000382961.db2.gz VBOHNXQSFQZMBK-UHFFFAOYSA-N -1 0 322.325 -0.566 20 0 DBADRM CC(C)C[C@H](NC(=O)Cn1nc2cnccn2c1=O)C(=O)[O-] ZINC001591177706 1016409449 /nfs/dbraw/zinc/40/94/49/1016409449.db2.gz IPHINMNGGDXDSB-VIFPVBQESA-N -1 0 307.310 -0.494 20 0 DBADRM C[C@@]1(NC(=O)C[C@H]2CCNC2=O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421207813 1000406332 /nfs/dbraw/zinc/40/63/32/1000406332.db2.gz WCXQROXTCBERCJ-YMTOWFKASA-N -1 0 322.369 -0.883 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001421206187 1000407019 /nfs/dbraw/zinc/40/70/19/1000407019.db2.gz VUXKRBZSEKGDNW-UWVGGRQHSA-N -1 0 322.369 -0.790 20 0 DBADRM C[C@]1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(Cc2ccon2)C1 ZINC001421231591 1000416606 /nfs/dbraw/zinc/41/66/06/1000416606.db2.gz ZHKJYWFFWLCRFY-ZDUSSCGKSA-N -1 0 322.325 -0.542 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@]2(O)CCN(Cc3ccon3)C2)c1[O-] ZINC001421345825 1000456416 /nfs/dbraw/zinc/45/64/16/1000456416.db2.gz CYJVBIKLQHEHAM-CQSZACIVSA-N -1 0 321.337 -0.221 20 0 DBADRM CCN(C(=O)Cc1ncc[nH]1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421354063 1000460671 /nfs/dbraw/zinc/46/06/71/1000460671.db2.gz RDOCCMCWHIMPIM-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)[C@H](C)c2nnnn2C)c1[O-] ZINC001409539182 1000470091 /nfs/dbraw/zinc/47/00/91/1000470091.db2.gz GRRYRVCGWAEEST-IONNQARKSA-N -1 0 322.373 -0.241 20 0 DBADRM C[C@H](CNC(=O)c1csc(=O)[nH]1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001409614410 1000486238 /nfs/dbraw/zinc/48/62/38/1000486238.db2.gz VJNBKZLMKJGACR-ZCFIWIBFSA-N -1 0 312.355 -0.077 20 0 DBADRM C[C@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001409610974 1000486464 /nfs/dbraw/zinc/48/64/64/1000486464.db2.gz PNGGPHWCAUIENP-OTYXRUKQSA-N -1 0 324.385 -0.637 20 0 DBADRM CCn1cnc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)c1 ZINC001409654635 1000498207 /nfs/dbraw/zinc/49/82/07/1000498207.db2.gz UYRMDOKZVGCPRU-SECBINFHSA-N -1 0 307.358 -0.023 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccn1 ZINC001409683632 1000507083 /nfs/dbraw/zinc/50/70/83/1000507083.db2.gz DKWMNFHIRASWAD-UHFFFAOYSA-N -1 0 318.337 -0.728 20 0 DBADRM CC(C)C[C@@H](O)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001591183072 1016416051 /nfs/dbraw/zinc/41/60/51/1016416051.db2.gz DOWZMJFXQOFZPT-GHMZBOCLSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC001409837781 1000536689 /nfs/dbraw/zinc/53/66/89/1000536689.db2.gz IAJZTXRPPVCXFI-VHSXEESVSA-N -1 0 319.369 -0.096 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)C2CC(C)C2)c1[O-] ZINC001410089326 1000610927 /nfs/dbraw/zinc/61/09/27/1000610927.db2.gz CIGBCDRWBWQHQU-GDRRJGKNSA-N -1 0 310.354 -0.323 20 0 DBADRM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCOC1 ZINC001410125408 1000636008 /nfs/dbraw/zinc/63/60/08/1000636008.db2.gz ZERXUDTXLJVLFX-YYHMBLRTSA-N -1 0 321.381 -0.269 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591209480 1016430564 /nfs/dbraw/zinc/43/05/64/1016430564.db2.gz ITKLARVFEAMKEJ-YFKPBYRVSA-N -1 0 308.254 -0.539 20 0 DBADRM CNC(=O)CCN(C)C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001591207810 1016431488 /nfs/dbraw/zinc/43/14/88/1016431488.db2.gz CBKQLUCSJIPNKE-UHFFFAOYSA-N -1 0 319.325 -0.516 20 0 DBADRM C[C@H](CNCc1ncccn1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001421978539 1000687744 /nfs/dbraw/zinc/68/77/44/1000687744.db2.gz FHDXBUFKWLQWAN-SECBINFHSA-N -1 0 321.341 -0.884 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001422072633 1000715782 /nfs/dbraw/zinc/71/57/82/1000715782.db2.gz FQVYOLFPJDIYCM-SNVBAGLBSA-N -1 0 324.385 -0.637 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)CC(=O)NC2CC2)c1[O-] ZINC001422157581 1000743507 /nfs/dbraw/zinc/74/35/07/1000743507.db2.gz RTAPEEXMBJASFT-UHFFFAOYSA-N -1 0 309.370 -0.294 20 0 DBADRM CNC(=O)c1ccc(Cn2cnc(-c3nnn[n-]3)cc2=O)cc1 ZINC001591213439 1016434104 /nfs/dbraw/zinc/43/41/04/1016434104.db2.gz KHGXDDOIOZMSFQ-UHFFFAOYSA-N -1 0 311.305 -0.169 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]2CN(C)[C@H](C)C(N)=O)c1[O-] ZINC001422230137 1000773906 /nfs/dbraw/zinc/77/39/06/1000773906.db2.gz GBJNBGFKEWZXLQ-ZJUUUORDSA-N -1 0 309.370 -0.166 20 0 DBADRM CNc1nc(C)cc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)n1 ZINC001591225083 1016441842 /nfs/dbraw/zinc/44/18/42/1016441842.db2.gz AWZMGWVOPRWHMF-UHFFFAOYSA-N -1 0 300.286 -0.018 20 0 DBADRM Cc1cnn(CC(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)c1 ZINC001422474933 1000878886 /nfs/dbraw/zinc/87/88/86/1000878886.db2.gz MILIVYIHWIWGTI-SNVBAGLBSA-N -1 0 307.358 -0.348 20 0 DBADRM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422521808 1000893773 /nfs/dbraw/zinc/89/37/73/1000893773.db2.gz NNDCACWZUQTGTL-VIFPVBQESA-N -1 0 324.385 -0.685 20 0 DBADRM C[C@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422525579 1000895837 /nfs/dbraw/zinc/89/58/37/1000895837.db2.gz FPWRUMDPIZMTRZ-SECBINFHSA-N -1 0 320.353 -0.541 20 0 DBADRM C[C@H](CNC(=O)[C@@]1(F)CCOC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422555656 1000908878 /nfs/dbraw/zinc/90/88/78/1000908878.db2.gz XMDMIGWBVZZFNT-PRHODGIISA-N -1 0 301.322 -0.425 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccc(F)s1 ZINC001410823881 1000923482 /nfs/dbraw/zinc/92/34/82/1000923482.db2.gz RITGHYFUKZKBJX-ZCFIWIBFSA-N -1 0 315.330 -0.409 20 0 DBADRM CN(C(=O)COCC(F)F)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001494838966 1016453674 /nfs/dbraw/zinc/45/36/74/1016453674.db2.gz HGYCEYIXOYIRSA-MRVPVSSYSA-N -1 0 319.312 -0.175 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591265219 1016457796 /nfs/dbraw/zinc/45/77/96/1016457796.db2.gz RQAFRFNSSONUBA-UHFFFAOYSA-N -1 0 315.311 -0.357 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCn1ccnn1 ZINC001422805495 1001016540 /nfs/dbraw/zinc/01/65/40/1001016540.db2.gz KNYWGFHDBGEDSS-VIFPVBQESA-N -1 0 308.346 -0.871 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001422824966 1001022859 /nfs/dbraw/zinc/02/28/59/1001022859.db2.gz MMLQVFPTDGMFCY-RKDXNWHRSA-N -1 0 310.358 -0.885 20 0 DBADRM C[C@]1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(C(=O)C2CC2)C1 ZINC001411134889 1001033302 /nfs/dbraw/zinc/03/33/02/1001033302.db2.gz DRIXFAQWHLSXLT-CQSZACIVSA-N -1 0 323.353 -0.546 20 0 DBADRM O=C(Cc1ccc[nH]1)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001422869769 1001044489 /nfs/dbraw/zinc/04/44/89/1001044489.db2.gz XXZPVYLNSVBNAF-CNDDSTCGSA-N -1 0 316.365 -0.125 20 0 DBADRM COC(=O)C[C@@H](C)OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591268266 1016460640 /nfs/dbraw/zinc/46/06/40/1016460640.db2.gz JKLPCKILSFYCRQ-RNFRBKRXSA-N -1 0 309.286 -0.486 20 0 DBADRM CC1CC(C(=O)N(C)C[C@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001411166242 1001051967 /nfs/dbraw/zinc/05/19/67/1001051967.db2.gz VSFPNLQQGRDOMZ-VQXHTEKXSA-N -1 0 311.386 -0.193 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)c1ccn(C)c1 ZINC001411165178 1001052796 /nfs/dbraw/zinc/05/27/96/1001052796.db2.gz TZCXMCJUSPDQEJ-LLVKDONJSA-N -1 0 322.369 -0.586 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)c1ccn(C)c1 ZINC001411165181 1001053235 /nfs/dbraw/zinc/05/32/35/1001053235.db2.gz TZCXMCJUSPDQEJ-NSHDSACASA-N -1 0 322.369 -0.586 20 0 DBADRM Cc1nc(C(=O)N(C)C[C@@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)co1 ZINC001411175352 1001062344 /nfs/dbraw/zinc/06/23/44/1001062344.db2.gz XYWBXICKTQRKMX-VIFPVBQESA-N -1 0 324.341 -0.628 20 0 DBADRM CCC(=O)N(C)C[C@@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001411287141 1001089758 /nfs/dbraw/zinc/08/97/58/1001089758.db2.gz UZPFUSJPHOWUHD-QMMMGPOBSA-N -1 0 309.326 -0.244 20 0 DBADRM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1nnn(C)n1 ZINC001411314582 1001095692 /nfs/dbraw/zinc/09/56/92/1001095692.db2.gz LANOJYIGJRCKCX-UHFFFAOYSA-N -1 0 316.368 -0.226 20 0 DBADRM O=C(Cc1cccnc1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001423196322 1001161116 /nfs/dbraw/zinc/16/11/16/1001161116.db2.gz LMWUQZYGCXFRNH-UHFFFAOYSA-N -1 0 302.338 -0.114 20 0 DBADRM COC(=O)c1coc(Cn2cnc(-c3nnn[n-]3)cc2=O)c1 ZINC001591307896 1016473633 /nfs/dbraw/zinc/47/36/33/1016473633.db2.gz SGYHQHUBIOCMDU-UHFFFAOYSA-N -1 0 302.250 -0.149 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)CC1CC1 ZINC001411625391 1001181178 /nfs/dbraw/zinc/18/11/78/1001181178.db2.gz KYKBFKUOTAZHSY-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)CC1CC1 ZINC001411625385 1001181287 /nfs/dbraw/zinc/18/12/87/1001181287.db2.gz KYKBFKUOTAZHSY-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM COC(=O)c1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC001411621558 1001181634 /nfs/dbraw/zinc/18/16/34/1001181634.db2.gz JWAAFWQIAVUVEL-UHFFFAOYSA-N -1 0 304.262 -0.001 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2ncc(C)cn2)c1[O-] ZINC001423218016 1001182112 /nfs/dbraw/zinc/18/21/12/1001182112.db2.gz MEOXDIQIDULIRB-JTQLQIEISA-N -1 0 320.353 -0.597 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2ccns2)c1[O-] ZINC001423220788 1001182676 /nfs/dbraw/zinc/18/26/76/1001182676.db2.gz RECUJDMUSLQVGY-MRVPVSSYSA-N -1 0 311.367 -0.239 20 0 DBADRM CC/C=C(\C)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001494890322 1016471090 /nfs/dbraw/zinc/47/10/90/1016471090.db2.gz DQCGLVNKVBACFE-WVXIBAHESA-N -1 0 309.326 -0.126 20 0 DBADRM CCc1nnsc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001423243880 1001201555 /nfs/dbraw/zinc/20/15/55/1001201555.db2.gz BTHHDQZOORULRS-UHFFFAOYSA-N -1 0 323.382 -0.024 20 0 DBADRM CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)[C@@H]1CCCCNC1=O ZINC001411704149 1001202268 /nfs/dbraw/zinc/20/22/68/1001202268.db2.gz HEPFYEBCGAPANW-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2CCC(=O)O2)c1 ZINC001591286525 1016471246 /nfs/dbraw/zinc/47/12/46/1016471246.db2.gz JBWPSZHIPLSVGP-MRVPVSSYSA-N -1 0 319.277 -0.479 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C1(C(F)F)CCC1 ZINC001423248664 1001203795 /nfs/dbraw/zinc/20/37/95/1001203795.db2.gz GBVDKWVSWDOJHI-ZETCQYMHSA-N -1 0 319.312 -0.488 20 0 DBADRM Cc1cccc(CC(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001423256755 1001210759 /nfs/dbraw/zinc/21/07/59/1001210759.db2.gz HMHRBZKJILAYMA-LBPRGKRZSA-N -1 0 319.365 -0.372 20 0 DBADRM COC(=O)c1coc(CNc2ccnc(-c3nnn[n-]3)n2)n1 ZINC001591307603 1016474650 /nfs/dbraw/zinc/47/46/50/1016474650.db2.gz NEHXQIVTVBFJFQ-UHFFFAOYSA-N -1 0 302.254 -0.535 20 0 DBADRM Cn1ccnc1CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001411753632 1001215004 /nfs/dbraw/zinc/21/50/04/1001215004.db2.gz DRLPWVLFTDUOGT-UHFFFAOYSA-N -1 0 310.335 -0.297 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001411754260 1001215981 /nfs/dbraw/zinc/21/59/81/1001215981.db2.gz FLYIZQBAUPHNLC-QMMMGPOBSA-N -1 0 317.305 -0.773 20 0 DBADRM CC1(C)CCC[C@H]1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001423264100 1001217561 /nfs/dbraw/zinc/21/75/61/1001217561.db2.gz SKJQNSLMAWSZTC-ZJUUUORDSA-N -1 0 311.386 -0.097 20 0 DBADRM C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001411780737 1001225071 /nfs/dbraw/zinc/22/50/71/1001225071.db2.gz TVFZBIKOPFHERA-VHSXEESVSA-N -1 0 304.310 -0.038 20 0 DBADRM CC(C)CN(CC(=O)[O-])S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001591303260 1016475754 /nfs/dbraw/zinc/47/57/54/1016475754.db2.gz OOZBPYWIDPFIMN-GOSISDBHSA-N -1 0 315.417 -0.152 20 0 DBADRM COCC[C@](C)(O)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001411834681 1001234911 /nfs/dbraw/zinc/23/49/11/1001234911.db2.gz JKFQFBVLOLBUQO-LBPRGKRZSA-N -1 0 302.331 -0.627 20 0 DBADRM CCC[C@@H](NC(=O)C1=NN(CCO)C(=O)CC1)c1nnn[n-]1 ZINC001411851269 1001237852 /nfs/dbraw/zinc/23/78/52/1001237852.db2.gz BHOVGEKOQGUSAC-MRVPVSSYSA-N -1 0 309.330 -0.872 20 0 DBADRM CCC[C@@H](NC(=O)Cn1ccc(C(=O)OC)n1)c1nnn[n-]1 ZINC001411857642 1001238328 /nfs/dbraw/zinc/23/83/28/1001238328.db2.gz OLRMRSYVPQAGAK-MRVPVSSYSA-N -1 0 307.314 -0.160 20 0 DBADRM CCC[C@H](NC(=O)Cn1ccc(C(=O)OC)n1)c1nnn[n-]1 ZINC001411857648 1001238342 /nfs/dbraw/zinc/23/83/42/1001238342.db2.gz OLRMRSYVPQAGAK-QMMMGPOBSA-N -1 0 307.314 -0.160 20 0 DBADRM CS[C@@H](CO)[C@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001411907408 1001246416 /nfs/dbraw/zinc/24/64/16/1001246416.db2.gz KEVGIHNZIBWANS-KWQFWETISA-N -1 0 322.394 -0.083 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c1[O-] ZINC001411912024 1001248870 /nfs/dbraw/zinc/24/88/70/1001248870.db2.gz IDFKMRDVUGZPJR-IUCAKERBSA-N -1 0 316.383 -0.129 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)c1[O-] ZINC001411912023 1001248905 /nfs/dbraw/zinc/24/89/05/1001248905.db2.gz IDFKMRDVUGZPJR-DTWKUNHWSA-N -1 0 316.383 -0.129 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N(CCO)CCc1ccccc1 ZINC001411926826 1001253272 /nfs/dbraw/zinc/25/32/72/1001253272.db2.gz KQJIYRSCXVMSPA-UHFFFAOYSA-N -1 0 306.322 -0.247 20 0 DBADRM O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001411938727 1001258021 /nfs/dbraw/zinc/25/80/21/1001258021.db2.gz OQVZAEKJEBMKOC-UWVGGRQHSA-N -1 0 311.367 -0.146 20 0 DBADRM CO[C@@H](C)[C@@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001591324086 1016479647 /nfs/dbraw/zinc/47/96/47/1016479647.db2.gz JFZRBRFHOFUPFJ-RQJHMYQMSA-N -1 0 309.330 -0.901 20 0 DBADRM C[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@H]1O ZINC001411989191 1001270757 /nfs/dbraw/zinc/27/07/57/1001270757.db2.gz KPYKNICLTYYZEC-QPUJVOFHSA-N -1 0 314.363 -0.118 20 0 DBADRM CO[C@]1(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)CCOC1 ZINC001412007408 1001275872 /nfs/dbraw/zinc/27/58/72/1001275872.db2.gz RTHNYEULNXKTBZ-AWEZNQCLSA-N -1 0 318.337 -0.390 20 0 DBADRM CNC(=O)N[C@@H]1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC001412011237 1001276881 /nfs/dbraw/zinc/27/68/81/1001276881.db2.gz IURUDNOVQJYZHR-LLVKDONJSA-N -1 0 323.397 -0.095 20 0 DBADRM C[C@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)CCS(=O)(=O)C1 ZINC001412020807 1001281042 /nfs/dbraw/zinc/28/10/42/1001281042.db2.gz ADHBVQRNAMYNIM-VIFPVBQESA-N -1 0 324.362 -0.471 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCC1(O)CCOCC1 ZINC001412029940 1001281536 /nfs/dbraw/zinc/28/15/36/1001281536.db2.gz HJHJZCIRUFMEFD-UHFFFAOYSA-N -1 0 300.315 -0.873 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cncc(Cl)c1 ZINC001412030313 1001283041 /nfs/dbraw/zinc/28/30/41/1001283041.db2.gz PZBADQTYCDLWKF-UHFFFAOYSA-N -1 0 305.743 -0.069 20 0 DBADRM NC(=O)c1cc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)c[nH]1 ZINC001412047064 1001287404 /nfs/dbraw/zinc/28/74/04/1001287404.db2.gz RJGBTMSJTHWKGP-MRVPVSSYSA-N -1 0 307.339 -0.443 20 0 DBADRM NS(=O)(=O)CCCC(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC001412050077 1001288730 /nfs/dbraw/zinc/28/87/30/1001288730.db2.gz JMTDNOAUJIZPAE-MRVPVSSYSA-N -1 0 318.355 -0.450 20 0 DBADRM O=C(Cc1nnc(C2CC2)[nH]1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412057759 1001290311 /nfs/dbraw/zinc/29/03/11/1001290311.db2.gz OWFYMLDDWBASQJ-UHFFFAOYSA-N -1 0 318.341 -0.752 20 0 DBADRM CO[C@H](CC(=O)N1CCC(O)(c2nnn[n-]2)CC1)C(F)(F)F ZINC001412058542 1001290447 /nfs/dbraw/zinc/29/04/47/1001290447.db2.gz SRFRLXKCLSHTJF-SSDOTTSWSA-N -1 0 323.275 -0.023 20 0 DBADRM CC(=O)NC[C@@H]1[C@H]2CN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001412062616 1001291708 /nfs/dbraw/zinc/29/17/08/1001291708.db2.gz IHQVAMLHUCDWHC-RTCCRHLQSA-N -1 0 323.353 -0.690 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CCC[C@H](c3nnn[n-]3)C2)C[C@H]1C ZINC001412059759 1001291754 /nfs/dbraw/zinc/29/17/54/1001291754.db2.gz RBXRBPMKKSFJCN-LMLFDSFASA-N -1 0 323.353 -0.128 20 0 DBADRM O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001412060784 1001292319 /nfs/dbraw/zinc/29/23/19/1001292319.db2.gz TWEVNIZEKMMUHT-ZJUUUORDSA-N -1 0 313.383 -0.270 20 0 DBADRM CCC1(O)CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001412075481 1001295241 /nfs/dbraw/zinc/29/52/41/1001295241.db2.gz SRLZTLHZAWGJOR-UHFFFAOYSA-N -1 0 304.306 -0.137 20 0 DBADRM CC(C)Cn1cccc(C(=O)Nc2[n-]nnc2C(N)=O)c1=O ZINC001412086201 1001297505 /nfs/dbraw/zinc/29/75/05/1001297505.db2.gz RJDKBOVTBWCZQF-UHFFFAOYSA-N -1 0 304.310 -0.026 20 0 DBADRM Cn1ccnc1N1CCC(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001412092053 1001298621 /nfs/dbraw/zinc/29/86/21/1001298621.db2.gz KOLVNTJUYKKSSJ-UHFFFAOYSA-N -1 0 321.341 -0.792 20 0 DBADRM CN(Cc1ncnn1CC(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001412096254 1001299733 /nfs/dbraw/zinc/29/97/33/1001299733.db2.gz YUVYVXPRCXIEMF-UHFFFAOYSA-N -1 0 315.240 -0.588 20 0 DBADRM CO[C@H]1CCC[C@H]1CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591363483 1016485467 /nfs/dbraw/zinc/48/54/67/1016485467.db2.gz XCVQMFLVCJZLBK-YUMQZZPRSA-N -1 0 321.341 -0.107 20 0 DBADRM CO[C@H]1CC[C@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001591349726 1016486116 /nfs/dbraw/zinc/48/61/16/1016486116.db2.gz BSWBPYVCOUQKCB-YUMQZZPRSA-N -1 0 321.341 -0.757 20 0 DBADRM CO[C@@H]1CC[C@H]1N(C)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591354457 1016486408 /nfs/dbraw/zinc/48/64/08/1016486408.db2.gz OPVBLFNSTIEOJY-IWSPIJDZSA-N -1 0 306.330 -0.345 20 0 DBADRM Cn1cccc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)c1=O ZINC001412172657 1001322162 /nfs/dbraw/zinc/32/21/62/1001322162.db2.gz QRPUTZIIUJMJGY-UHFFFAOYSA-N -1 0 302.294 -0.352 20 0 DBADRM COc1cccc([S@@](=O)C=C(O)Nn2c(=O)[n-][nH]c2=O)c1 ZINC001412178785 1001324272 /nfs/dbraw/zinc/32/42/72/1001324272.db2.gz GSBYUSJEYZLJBI-NRFANRHFSA-N -1 0 312.307 -0.424 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001412185774 1001325822 /nfs/dbraw/zinc/32/58/22/1001325822.db2.gz ASSITTQDRJZQGI-UHFFFAOYSA-N -1 0 316.387 -0.937 20 0 DBADRM COC(OC)[C@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591333835 1016481358 /nfs/dbraw/zinc/48/13/58/1016481358.db2.gz KDPHNVSKTVSIPV-BQBZGAKWSA-N -1 0 310.318 -0.857 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)[C@H](C)NS(=O)(=O)CC)[n-]1 ZINC001412205774 1001332316 /nfs/dbraw/zinc/33/23/16/1001332316.db2.gz FKJLYQSVNLRPGE-ZETCQYMHSA-N -1 0 318.355 -0.147 20 0 DBADRM COC(=O)[C@](C)(CO)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001412210618 1001333991 /nfs/dbraw/zinc/33/39/91/1001333991.db2.gz CRFNMFBTSACCSD-AWEZNQCLSA-N -1 0 313.354 -0.585 20 0 DBADRM CCC(=O)NC[C@H]1C[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001412220406 1001336665 /nfs/dbraw/zinc/33/66/65/1001336665.db2.gz KIUMOBBHINYYTH-KYZUINATSA-N -1 0 323.353 -0.364 20 0 DBADRM O=C(CCc1cn[nH]c1)NC[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001412220097 1001336760 /nfs/dbraw/zinc/33/67/60/1001336760.db2.gz JMGXWMGDWIIYDY-XYPYZODXSA-N -1 0 317.353 -0.215 20 0 DBADRM Cn1ccnc1[C@H]1C[C@@H](NC(=O)CCc2nnn[n-]2)CCO1 ZINC001412226751 1001340017 /nfs/dbraw/zinc/34/00/17/1001340017.db2.gz LTNNPSVYMDYPKY-VHSXEESVSA-N -1 0 305.342 -0.098 20 0 DBADRM CC(C)CC(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001412244623 1001344451 /nfs/dbraw/zinc/34/44/51/1001344451.db2.gz KXMSAUWMKXHSCB-KYZUINATSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1Cc2ccccc2NC(=O)C1 ZINC001412291960 1001359779 /nfs/dbraw/zinc/35/97/79/1001359779.db2.gz VHYJRYJZBZVZKJ-UHFFFAOYSA-N -1 0 303.278 -0.330 20 0 DBADRM CO[C@H]1CCC[C@H]1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591363756 1016489113 /nfs/dbraw/zinc/48/91/13/1016489113.db2.gz YGSNRBLXHDYFFP-BDAKNGLRSA-N -1 0 306.330 -0.611 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC1(CCO)CCOCC1 ZINC001412326767 1001368941 /nfs/dbraw/zinc/36/89/41/1001368941.db2.gz BRCHGPAXDDNDRR-UHFFFAOYSA-N -1 0 314.342 -0.483 20 0 DBADRM CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)c1ncn(C)n1 ZINC001423551599 1001373413 /nfs/dbraw/zinc/37/34/13/1001373413.db2.gz PLTJORQFJDJFKR-UHFFFAOYSA-N -1 0 322.373 -0.379 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423557921 1001376115 /nfs/dbraw/zinc/37/61/15/1001376115.db2.gz BWYCMCIFYHCNNO-OTYXRUKQSA-N -1 0 324.385 -0.494 20 0 DBADRM CN1C(=O)CN=C1NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001412381340 1001381882 /nfs/dbraw/zinc/38/18/82/1001381882.db2.gz WPGDOTMNDBBBJK-UHFFFAOYSA-N -1 0 301.262 -0.412 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)O1 ZINC001412399081 1001386471 /nfs/dbraw/zinc/38/64/71/1001386471.db2.gz KZNCKPAXWDHLDB-AXFHLTTASA-N -1 0 316.321 -0.562 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)O1 ZINC001412399085 1001387105 /nfs/dbraw/zinc/38/71/05/1001387105.db2.gz KZNCKPAXWDHLDB-HBNTYKKESA-N -1 0 316.321 -0.562 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1cc(N2CCOCC2)ccn1 ZINC001412404102 1001387809 /nfs/dbraw/zinc/38/78/09/1001387809.db2.gz AGTSWGALCVQWAM-UHFFFAOYSA-N -1 0 317.305 -0.436 20 0 DBADRM CCC1(Cn2cc(C(=O)[N-]n3ccc(=O)[nH]c3=O)nn2)COC1 ZINC001412413040 1001392338 /nfs/dbraw/zinc/39/23/38/1001392338.db2.gz QGXPTJVVNHTEPW-UHFFFAOYSA-N -1 0 320.309 -0.649 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)NC[C@@H](O)[C@@H](C)O)cc2=O)cc1 ZINC001412415559 1001394158 /nfs/dbraw/zinc/39/41/58/1001394158.db2.gz OOPPLANOBHBELC-ZWNOBZJWSA-N -1 0 305.334 -0.054 20 0 DBADRM O=C([C@H]1CCc2cncn2C1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001412430560 1001399302 /nfs/dbraw/zinc/39/93/02/1001399302.db2.gz JKYPFDIDHLZJBM-ONGXEEELSA-N -1 0 303.326 -0.441 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001412431114 1001399662 /nfs/dbraw/zinc/39/96/62/1001399662.db2.gz KQLGNYGVFSDFAY-DTWKUNHWSA-N -1 0 311.346 -0.673 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001412434109 1001400986 /nfs/dbraw/zinc/40/09/86/1001400986.db2.gz TYQVSDCEFODSJV-HBNTYKKESA-N -1 0 311.342 -0.459 20 0 DBADRM O=C(NC[C@@H](n1cncn1)C(F)(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001412444800 1001405295 /nfs/dbraw/zinc/40/52/95/1001405295.db2.gz CCRBQPXLWDWKLQ-SCSAIBSYSA-N -1 0 319.203 -0.592 20 0 DBADRM CO[C@H]1COCC[C@H]1CC(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001591361307 1016488011 /nfs/dbraw/zinc/48/80/11/1016488011.db2.gz LELGDILWQOJAKP-CBAPKCEASA-N -1 0 307.314 -0.030 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)NC2(C(=O)[O-])CC(CO)C2)CC1=O ZINC001591352573 1016488118 /nfs/dbraw/zinc/48/81/18/1016488118.db2.gz VDVASERYVLRGLA-VTWZXRTESA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H](NC(=O)CCCc1nnn[n-]1)C(=O)NCc1ccco1 ZINC001412483240 1001422208 /nfs/dbraw/zinc/42/22/08/1001422208.db2.gz MOIAMZVQWDNESG-SECBINFHSA-N -1 0 306.326 -0.064 20 0 DBADRM O=C(CNC(=O)N1CCCC1)N1CCC(c2nnn[n-]2)CC1 ZINC001412490612 1001424645 /nfs/dbraw/zinc/42/46/45/1001424645.db2.gz NNVRZWIPZDAQNT-UHFFFAOYSA-N -1 0 307.358 -0.289 20 0 DBADRM COCC(C)(C)N(C)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591368643 1016493378 /nfs/dbraw/zinc/49/33/78/1016493378.db2.gz BMOIIAUNLQEAKY-MRVPVSSYSA-N -1 0 308.346 -0.097 20 0 DBADRM COCC(C)(C)N(C)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591368644 1016493415 /nfs/dbraw/zinc/49/34/15/1016493415.db2.gz BMOIIAUNLQEAKY-QMMMGPOBSA-N -1 0 308.346 -0.097 20 0 DBADRM CC(C)CNC(=O)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001591370412 1016493999 /nfs/dbraw/zinc/49/39/99/1016493999.db2.gz HWFMNYNRJGYFEA-IUCAKERBSA-N -1 0 316.358 -0.964 20 0 DBADRM O=C(Cc1ccsc1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423810393 1001444110 /nfs/dbraw/zinc/44/41/10/1001444110.db2.gz YFQTVBMHUOOCAE-UHFFFAOYSA-N -1 0 323.378 -0.523 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCC3)c(CCO)c2=O)n1 ZINC001412544951 1001444804 /nfs/dbraw/zinc/44/48/04/1001444804.db2.gz SJLGYPVONCDTFV-UHFFFAOYSA-N -1 0 317.349 -0.047 20 0 DBADRM COC[C@H](C)[C@@H](C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591372456 1016496158 /nfs/dbraw/zinc/49/61/58/1016496158.db2.gz HGHHCMUZPKDXKP-DTWKUNHWSA-N -1 0 308.346 -0.507 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC001423861570 1001481140 /nfs/dbraw/zinc/48/11/40/1001481140.db2.gz ZYLZSWHAUNUJCU-ULCDLSAGSA-N -1 0 316.401 -0.749 20 0 DBADRM COC[C@H](NC(=O)c1cncc(N2CCCC2)n1)c1nnn[n-]1 ZINC001412604627 1001487619 /nfs/dbraw/zinc/48/76/19/1001487619.db2.gz JBVYIRQFYSJRFS-JTQLQIEISA-N -1 0 318.341 -0.293 20 0 DBADRM COC[C@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)c1nnn[n-]1 ZINC001412607378 1001491944 /nfs/dbraw/zinc/49/19/44/1001491944.db2.gz MPQHANBUPBNPDR-BQBZGAKWSA-N -1 0 310.280 -0.114 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](O)Cc1cccc(OC)c1)c1nnn[n-]1 ZINC001412616368 1001499791 /nfs/dbraw/zinc/49/97/91/1001499791.db2.gz YFYGOUTXOYAJDY-NEPJUHHUSA-N -1 0 321.337 -0.384 20 0 DBADRM C[C@@]1(C2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)COC(=O)N1 ZINC001412619019 1001500501 /nfs/dbraw/zinc/50/05/01/1001500501.db2.gz NQKWLPFIERMTFK-ZDUSSCGKSA-N -1 0 323.309 -0.367 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)NCc3n[nH]c(=O)[n-]3)CCC2=O)cn1 ZINC001412634818 1001516610 /nfs/dbraw/zinc/51/66/10/1001516610.db2.gz MYAOYALPKDJXPO-QMMMGPOBSA-N -1 0 319.325 -0.697 20 0 DBADRM Cc1nc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[nH]c1C ZINC001412635562 1001517013 /nfs/dbraw/zinc/51/70/13/1001517013.db2.gz CNPBWPXPRTYUCK-UHFFFAOYSA-N -1 0 301.310 -0.272 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@@H](C2OCCO2)C1 ZINC001412635026 1001517307 /nfs/dbraw/zinc/51/73/07/1001517307.db2.gz JWRRATWTHZJCDN-SECBINFHSA-N -1 0 312.326 -0.309 20 0 DBADRM C[C@](O)(CNC(=O)Cn1c(=O)[n-][nH]c1=O)c1cccc(F)c1 ZINC001412638124 1001518540 /nfs/dbraw/zinc/51/85/40/1001518540.db2.gz DQMTXSIFEUNPNL-ZDUSSCGKSA-N -1 0 310.285 -0.148 20 0 DBADRM C[C@@H](CO[C@@H]1CCOC1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412663936 1001524371 /nfs/dbraw/zinc/52/43/71/1001524371.db2.gz VMLCXVDOHUDWRK-VHSXEESVSA-N -1 0 314.342 -0.220 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2cnn(C)n2)c1[O-] ZINC001423912258 1001524492 /nfs/dbraw/zinc/52/44/92/1001524492.db2.gz SYONXRNEWPSWFC-BQBZGAKWSA-N -1 0 321.341 -0.511 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001591387516 1016502337 /nfs/dbraw/zinc/50/23/37/1016502337.db2.gz XMMQQNWJIAIDHB-LBPRGKRZSA-N -1 0 305.298 -0.416 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCSC[C@@H]1CO ZINC001412717726 1001539654 /nfs/dbraw/zinc/53/96/54/1001539654.db2.gz SPHLVVLMSURZOT-QMMMGPOBSA-N -1 0 309.351 -0.993 20 0 DBADRM CCOc1ccncc1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC001423999256 1001541135 /nfs/dbraw/zinc/54/11/35/1001541135.db2.gz KSVCMAIVMPBGGO-UHFFFAOYSA-N -1 0 314.323 -0.322 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001412725100 1001542608 /nfs/dbraw/zinc/54/26/08/1001542608.db2.gz FIFJGAZMDOYOHC-ONGXEEELSA-N -1 0 302.338 -0.082 20 0 DBADRM C[C@H]1CN(C(=O)c2c[n-]ncc2=O)CCN1S(C)(=O)=O ZINC001412755899 1001560057 /nfs/dbraw/zinc/56/00/57/1001560057.db2.gz VJKWYTNRKQQDPD-QMMMGPOBSA-N -1 0 300.340 -0.712 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001412776349 1001572078 /nfs/dbraw/zinc/57/20/78/1001572078.db2.gz SDJFHYCZKUKBJX-UHFFFAOYSA-N -1 0 308.385 -0.505 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H](CO)[C@@H]1CCOC1 ZINC001412775368 1001572246 /nfs/dbraw/zinc/57/22/46/1001572246.db2.gz FMNSNRMXVXVHFB-HTQZYQBOSA-N -1 0 312.288 -0.043 20 0 DBADRM O=C(CC(F)(F)F)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001424115413 1001575380 /nfs/dbraw/zinc/57/53/80/1001575380.db2.gz QJVWALHOHDEFEV-ZETCQYMHSA-N -1 0 323.275 -0.220 20 0 DBADRM COCCC(=O)N[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001591396573 1016507407 /nfs/dbraw/zinc/50/74/07/1016507407.db2.gz BYHZRWLLGPEOSD-MRVPVSSYSA-N -1 0 306.330 -0.968 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CCN(CC(=O)[O-])CC1 ZINC001591414872 1016512667 /nfs/dbraw/zinc/51/26/67/1016512667.db2.gz ZOGXAPIIXLEMEL-UHFFFAOYSA-N -1 0 306.384 -0.714 20 0 DBADRM COC[C@@H]1CCCN1NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591394697 1016507919 /nfs/dbraw/zinc/50/79/19/1016507919.db2.gz XNVRBFMJSXHMOS-IUCAKERBSA-N -1 0 321.345 -0.839 20 0 DBADRM COC(=O)[C@H](CNC(=O)CCCc1nnn[n-]1)[C@H]1CCOC1 ZINC001412801334 1001590238 /nfs/dbraw/zinc/59/02/38/1001590238.db2.gz AZKKHGXBWYFZRP-VHSXEESVSA-N -1 0 311.342 -0.536 20 0 DBADRM CCO[C@H](CS(=O)(=O)[N-][C@](C)(CO)C(=O)OC)C1CC1 ZINC001424195268 1001593890 /nfs/dbraw/zinc/59/38/90/1001593890.db2.gz GBFKRTOPDWCPKA-ZYHUDNBSSA-N -1 0 309.384 -0.355 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC001412827570 1001607495 /nfs/dbraw/zinc/60/74/95/1001607495.db2.gz BOURMUCGFIPMHR-JTQLQIEISA-N -1 0 324.259 -0.005 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1cc(F)ccc1O ZINC001412828968 1001608838 /nfs/dbraw/zinc/60/88/38/1001608838.db2.gz OUDLPFLYHYMAKZ-UHFFFAOYSA-N -1 0 318.326 -0.344 20 0 DBADRM CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001412830366 1001608944 /nfs/dbraw/zinc/60/89/44/1001608944.db2.gz REFAXHRMWNVPKK-OOZYFLPDSA-N -1 0 308.294 -0.161 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC001412828989 1001609005 /nfs/dbraw/zinc/60/90/05/1001609005.db2.gz OUQYRRHZUFNFBX-DTWKUNHWSA-N -1 0 320.367 -0.842 20 0 DBADRM COCC[C@H](CO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591398672 1016510214 /nfs/dbraw/zinc/51/02/14/1016510214.db2.gz IHEXYXRNSCMTAQ-SSDOTTSWSA-N -1 0 317.327 -0.865 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc2cccnc2n1 ZINC001412832109 1001609578 /nfs/dbraw/zinc/60/95/78/1001609578.db2.gz USKBHRXDBCMHKR-UHFFFAOYSA-N -1 0 322.346 -0.175 20 0 DBADRM CCOC(=O)c1n[nH]c(CNC(=O)c2cnc(N(C)C)cn2)n1 ZINC001412836027 1001612185 /nfs/dbraw/zinc/61/21/85/1001612185.db2.gz HEKJDQFHXUIPRA-UHFFFAOYSA-N -1 0 319.325 -0.233 20 0 DBADRM O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1ccc(F)cc1[O-] ZINC001412840050 1001614291 /nfs/dbraw/zinc/61/42/91/1001614291.db2.gz RKQKOYMAYJVODN-LBPRGKRZSA-N -1 0 303.311 -0.189 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)CCN1CCO ZINC001412851152 1001620014 /nfs/dbraw/zinc/62/00/14/1001620014.db2.gz WKFPKTJTSCDLIU-SNVBAGLBSA-N -1 0 305.338 -0.839 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1CCn2ccnc2C1 ZINC001412851326 1001620265 /nfs/dbraw/zinc/62/02/65/1001620265.db2.gz JXYPZBVUWGAESA-VIFPVBQESA-N -1 0 306.326 -0.203 20 0 DBADRM COC(=O)NCCC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC001412853629 1001620964 /nfs/dbraw/zinc/62/09/64/1001620964.db2.gz LVBVLLGYNXNGQQ-ZETCQYMHSA-N -1 0 300.344 -0.438 20 0 DBADRM NC(=O)c1cc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)co1 ZINC001412858255 1001623785 /nfs/dbraw/zinc/62/37/85/1001623785.db2.gz SHKGZXRONKASOV-SSDOTTSWSA-N -1 0 308.323 -0.178 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001591414825 1016511194 /nfs/dbraw/zinc/51/11/94/1016511194.db2.gz WCWZYRYCRBRJQP-SECBINFHSA-N -1 0 323.367 -0.610 20 0 DBADRM COCC[C@H](CO)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412890195 1001636853 /nfs/dbraw/zinc/63/68/53/1001636853.db2.gz OPNHWXUGYFYJQP-SNVBAGLBSA-N -1 0 306.326 -0.798 20 0 DBADRM Cc1ccn(C[C@@H](C)C(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001412892854 1001638053 /nfs/dbraw/zinc/63/80/53/1001638053.db2.gz AFSRKYHVTVNBCL-SNVBAGLBSA-N -1 0 319.369 -0.149 20 0 DBADRM Cn1ccnc1CCC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412898604 1001641000 /nfs/dbraw/zinc/64/10/00/1001641000.db2.gz KXGLTEFNCGFQJH-UHFFFAOYSA-N -1 0 305.342 -0.624 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001412905820 1001643348 /nfs/dbraw/zinc/64/33/48/1001643348.db2.gz XKFOVMSTRLJYAX-SNVBAGLBSA-N -1 0 315.399 -0.052 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]N2CCCC2=O)s1 ZINC001424458708 1001644300 /nfs/dbraw/zinc/64/43/00/1001644300.db2.gz YKFLJQMARKRVCO-UHFFFAOYSA-N -1 0 304.353 -0.083 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1noc(C2CC2)n1)[C@@H](C)O ZINC001424603508 1001666783 /nfs/dbraw/zinc/66/67/83/1001666783.db2.gz APCUTXAVHXIRHN-MUWHJKNJSA-N -1 0 319.339 -0.711 20 0 DBADRM COCCN(CCO)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591424550 1016517734 /nfs/dbraw/zinc/51/77/34/1016517734.db2.gz RRYJZPMPCWFJQC-UHFFFAOYSA-N -1 0 317.327 -0.911 20 0 DBADRM CN(C)C(=O)OC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001413021605 1001685377 /nfs/dbraw/zinc/68/53/77/1001685377.db2.gz XLELAHLFBSKLBL-UHFFFAOYSA-N -1 0 311.298 -0.414 20 0 DBADRM C[C@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@H](C)S1(=O)=O ZINC001413045758 1001690530 /nfs/dbraw/zinc/69/05/30/1001690530.db2.gz COJLWWXWXBUHRT-IUCAKERBSA-N -1 0 324.362 -0.330 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@H](O)Cn2ccnn2)cc1=O ZINC001413065222 1001694697 /nfs/dbraw/zinc/69/46/97/1001694697.db2.gz QURWBBDUJFLYKG-LBPRGKRZSA-N -1 0 322.369 -0.856 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@@H](O)Cn2ccnn2)cc1=O ZINC001413065218 1001694716 /nfs/dbraw/zinc/69/47/16/1001694716.db2.gz QURWBBDUJFLYKG-GFCCVEGCSA-N -1 0 322.369 -0.856 20 0 DBADRM COCCCCNS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591412538 1016513420 /nfs/dbraw/zinc/51/34/20/1016513420.db2.gz PCEIWAHRKBXHOB-UHFFFAOYSA-N -1 0 312.355 -0.033 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(CC(F)F)C1 ZINC001413138308 1001702939 /nfs/dbraw/zinc/70/29/39/1001702939.db2.gz AZCODPISXHFVDK-QMMMGPOBSA-N -1 0 319.312 -0.075 20 0 DBADRM C[C@@H]1C[C@H](CO)CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001413155212 1001704930 /nfs/dbraw/zinc/70/49/30/1001704930.db2.gz QYTTWLVRLAHLOD-ZJUUUORDSA-N -1 0 305.338 -0.452 20 0 DBADRM COCOCCCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591452101 1016525049 /nfs/dbraw/zinc/52/50/49/1016525049.db2.gz SHNNMOIXNYDLRA-UHFFFAOYSA-N -1 0 311.302 -0.912 20 0 DBADRM CC(C)n1nnc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)n1 ZINC001424705379 1001747510 /nfs/dbraw/zinc/74/75/10/1001747510.db2.gz RQPWZMAVLXFLLD-UHFFFAOYSA-N -1 0 313.343 -0.508 20 0 DBADRM COCCc1nc(Cn2cccc(-c3nnn[n-]3)c2=O)no1 ZINC001591447726 1016524587 /nfs/dbraw/zinc/52/45/87/1016524587.db2.gz BSZRZROXFNZIHR-UHFFFAOYSA-N -1 0 303.282 -0.351 20 0 DBADRM COCCOCCNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591439193 1016524702 /nfs/dbraw/zinc/52/47/02/1016524702.db2.gz RHZIODDURFOBQK-UHFFFAOYSA-N -1 0 307.310 -0.035 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001424733310 1001768026 /nfs/dbraw/zinc/76/80/26/1001768026.db2.gz GXNPDWGZSZQWOV-OPRDCNLKSA-N -1 0 322.369 -0.656 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NCc2ncnn2C)c1[O-] ZINC001424773364 1001792122 /nfs/dbraw/zinc/79/21/22/1001792122.db2.gz OTYMRDAZADQMQW-YUMQZZPRSA-N -1 0 307.358 -0.151 20 0 DBADRM COCOCCCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591452140 1016526110 /nfs/dbraw/zinc/52/61/10/1016526110.db2.gz VGNHXEKAWVEDHS-MRVPVSSYSA-N -1 0 310.318 -0.854 20 0 DBADRM COc1cncc(NC(=O)CNC(=O)c2ncccc2O)n1 ZINC001413276264 1001800792 /nfs/dbraw/zinc/80/07/92/1001800792.db2.gz OVGXMKYGLDLNEP-UHFFFAOYSA-N -1 0 303.278 -0.046 20 0 DBADRM Cc1conc1CN[C@@H](C)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001424838287 1001805758 /nfs/dbraw/zinc/80/57/58/1001805758.db2.gz OSPPOORTYUFFDQ-IUCAKERBSA-N -1 0 324.341 -0.331 20 0 DBADRM COC(=O)C1(CS(=O)(=O)[N-][C@@]2(C(=O)OC)CCOC2)CC1 ZINC001413311784 1001810660 /nfs/dbraw/zinc/81/06/60/1001810660.db2.gz WFUXHUYJRXGZIC-LBPRGKRZSA-N -1 0 321.351 -0.809 20 0 DBADRM COC(=O)[C@H](CNS(=O)(=O)c1ncc[n-]1)[C@H]1CCOC1 ZINC001424910576 1001812126 /nfs/dbraw/zinc/81/21/26/1001812126.db2.gz HJSNFYOWOBYHQW-DTWKUNHWSA-N -1 0 303.340 -0.486 20 0 DBADRM Cc1nc([C@@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)no1 ZINC001413320280 1001812650 /nfs/dbraw/zinc/81/26/50/1001812650.db2.gz KCDOSRUQCGDVGB-FWCARGHBSA-N -1 0 311.389 -0.152 20 0 DBADRM CCC(=O)NC[C@H](C1CC1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001424929104 1001813718 /nfs/dbraw/zinc/81/37/18/1001813718.db2.gz SZYSNVDNONOVKZ-MRVPVSSYSA-N -1 0 309.326 -0.340 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@@H]1CC2(CCC2)CO1 ZINC001413323229 1001814144 /nfs/dbraw/zinc/81/41/44/1001814144.db2.gz RETPLGIVZMQRFC-VHSXEESVSA-N -1 0 307.368 -0.601 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1ccoc1C1(O)CCOCC1 ZINC001413334899 1001817364 /nfs/dbraw/zinc/81/73/64/1001817364.db2.gz YSFLRZFNWBHVQW-UHFFFAOYSA-N -1 0 321.289 -0.076 20 0 DBADRM COCC(=O)N(C)C[C@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001424965479 1001818682 /nfs/dbraw/zinc/81/86/82/1001818682.db2.gz PRQLCUGCRYNGOQ-VIFPVBQESA-N -1 0 321.337 -0.754 20 0 DBADRM C[C@@H](CN(C)C(=O)c1ccoc1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001424975477 1001820165 /nfs/dbraw/zinc/82/01/65/1001820165.db2.gz NRBJJUASDWTJOS-QMMMGPOBSA-N -1 0 323.309 -0.441 20 0 DBADRM CC1(C)CC(=O)NCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001413369194 1001830048 /nfs/dbraw/zinc/83/00/48/1001830048.db2.gz UBXWOOHTSHZXMV-UHFFFAOYSA-N -1 0 318.337 -0.802 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC001413377069 1001832051 /nfs/dbraw/zinc/83/20/51/1001832051.db2.gz JWLIMJOFGVZCKT-BDAKNGLRSA-N -1 0 309.326 -0.651 20 0 DBADRM Cc1cc(S(=O)(=O)NCC(=O)N=S(C)(C)=O)sn1 ZINC001413382865 1001834661 /nfs/dbraw/zinc/83/46/61/1001834661.db2.gz VBALLYHECBDPOA-UHFFFAOYSA-N -1 0 311.410 -0.016 20 0 DBADRM COc1c(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001425054585 1001835501 /nfs/dbraw/zinc/83/55/01/1001835501.db2.gz WWFLJBZUBPMNCV-QMMMGPOBSA-N -1 0 323.357 -0.497 20 0 DBADRM COCCn1cc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)c(C)n1 ZINC001413389419 1001835820 /nfs/dbraw/zinc/83/58/20/1001835820.db2.gz UHNJWWZAACREAD-NSHDSACASA-N -1 0 321.341 -0.435 20 0 DBADRM O=C(c1cnn2c1NCCC2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001413387719 1001836004 /nfs/dbraw/zinc/83/60/04/1001836004.db2.gz OPLOBKCWQIEVKV-VIFPVBQESA-N -1 0 304.314 -0.575 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)CC1CC1 ZINC001433340426 1001837448 /nfs/dbraw/zinc/83/74/48/1001837448.db2.gz WNCMCUPHRVYTEB-MRVPVSSYSA-N -1 0 308.338 -0.480 20 0 DBADRM CCn1ncc(CNS(=O)(=O)c2cc(C(=O)OC)[nH]n2)n1 ZINC001413401588 1001838276 /nfs/dbraw/zinc/83/82/76/1001838276.db2.gz NFFAQWHXJDQTGA-UHFFFAOYSA-N -1 0 314.327 -0.714 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CCn1ccnn1 ZINC001413409762 1001839506 /nfs/dbraw/zinc/83/95/06/1001839506.db2.gz JOOOHKWBUISBCK-UHFFFAOYSA-N -1 0 300.296 -0.364 20 0 DBADRM O=C1N=NC(CNS(=O)(=O)C[C@H]2CCCO2)N1C1CC1 ZINC001413424590 1001843948 /nfs/dbraw/zinc/84/39/48/1001843948.db2.gz NGGMUOWXYJKWCA-SECBINFHSA-N -1 0 302.356 -0.083 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CC(C(N)=O)C1 ZINC001413436627 1001848661 /nfs/dbraw/zinc/84/86/61/1001848661.db2.gz NIZUWYDCGXHHRN-UHFFFAOYSA-N -1 0 315.326 -0.246 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCNC1=O)C(=O)[O-] ZINC001591457448 1016529967 /nfs/dbraw/zinc/52/99/67/1016529967.db2.gz HRNCWGUUXHBLLU-ZJUUUORDSA-N -1 0 313.354 -0.756 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)C[C@@H]1CCNC1=O)C(=O)[O-] ZINC001591457760 1016530206 /nfs/dbraw/zinc/53/02/06/1016530206.db2.gz SAFJGWYKIGMAJX-UWVGGRQHSA-N -1 0 313.354 -0.756 20 0 DBADRM O=C(C[C@@H]1CCCS(=O)(=O)C1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001413465118 1001854746 /nfs/dbraw/zinc/85/47/46/1001854746.db2.gz CMKOVVYHLOTVGN-VHSXEESVSA-N -1 0 313.383 -0.270 20 0 DBADRM Cn1cc(C(=O)CCC(=O)N2CC[C@H](c3nnn[n-]3)C2)cn1 ZINC001413468897 1001856682 /nfs/dbraw/zinc/85/66/82/1001856682.db2.gz MIDRBOQTJGDSET-VIFPVBQESA-N -1 0 303.326 -0.088 20 0 DBADRM O=C(c1cn(C[C@H]2CCOC2)nn1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001413471346 1001857438 /nfs/dbraw/zinc/85/74/38/1001857438.db2.gz QZCQTQNHBRHOSU-ZJUUUORDSA-N -1 0 318.341 -0.543 20 0 DBADRM COC(=O)C(F)(F)C[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC001413485325 1001859520 /nfs/dbraw/zinc/85/95/20/1001859520.db2.gz YKRJJBGQGPVIQM-LURJTMIESA-N -1 0 302.299 -0.809 20 0 DBADRM CN(C)c1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)ncn1 ZINC001433464432 1001860008 /nfs/dbraw/zinc/86/00/08/1001860008.db2.gz BIRJNSGDJUTESW-UHFFFAOYSA-N -1 0 314.309 -0.434 20 0 DBADRM COC(=O)c1cnc(C(=O)NC2(c3nnn[n-]3)CCC2)cn1 ZINC001413504866 1001863628 /nfs/dbraw/zinc/86/36/28/1001863628.db2.gz CWIAHSOSOBICCA-UHFFFAOYSA-N -1 0 303.282 -0.415 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@]2(C)CCC(=O)N2)c1[O-] ZINC001433493291 1001865597 /nfs/dbraw/zinc/86/55/97/1001865597.db2.gz QPPRNOXVVWCEAS-UOWDBTKRSA-N -1 0 323.353 -0.673 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@H]1Cc2cccnc2NC1=O ZINC001413513695 1001866920 /nfs/dbraw/zinc/86/69/20/1001866920.db2.gz RNGSAPRVNBKYJG-VIFPVBQESA-N -1 0 301.310 -0.403 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)C1(C(N)=O)CCC1)C(=O)[O-] ZINC001591453183 1016532522 /nfs/dbraw/zinc/53/25/22/1016532522.db2.gz BFZUEWOYMVLGQA-VIFPVBQESA-N -1 0 313.354 -0.626 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)OC)c1nnn[n-]1 ZINC001413549087 1001876952 /nfs/dbraw/zinc/87/69/52/1001876952.db2.gz BZXSAHNSAPAPSE-AEJSXWLSSA-N -1 0 311.342 -0.017 20 0 DBADRM COC[C@H](NC(=O)CCNC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001413553365 1001877595 /nfs/dbraw/zinc/87/75/95/1001877595.db2.gz LDTCUJPMSKRIEW-QMMMGPOBSA-N -1 0 314.346 -0.082 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)[nH]1 ZINC001413559718 1001879717 /nfs/dbraw/zinc/87/97/17/1001879717.db2.gz KDINWVYWVHSDIW-MRVPVSSYSA-N -1 0 303.326 -0.278 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(c2nccnc2C)CC1 ZINC001413566527 1001880813 /nfs/dbraw/zinc/88/08/13/1001880813.db2.gz JQDXPDYUCRQINT-UHFFFAOYSA-N -1 0 317.357 -0.433 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@H](O)CC2(CCOCC2)C1 ZINC001413568281 1001881948 /nfs/dbraw/zinc/88/19/48/1001881948.db2.gz OMZYRNHQHBKJSP-SNVBAGLBSA-N -1 0 310.358 -0.490 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC001413568371 1001881988 /nfs/dbraw/zinc/88/19/88/1001881988.db2.gz POISNIOJGXNMKT-ZANVPECISA-N -1 0 323.357 -0.143 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@@H](O)CC2(CCOCC2)C1 ZINC001413568276 1001882004 /nfs/dbraw/zinc/88/20/04/1001882004.db2.gz OMZYRNHQHBKJSP-JTQLQIEISA-N -1 0 310.358 -0.490 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C ZINC001413570775 1001882886 /nfs/dbraw/zinc/88/28/86/1001882886.db2.gz ZVWLPAKODDGNMS-RKDXNWHRSA-N -1 0 300.363 -0.606 20 0 DBADRM CCN1CCC[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1=O ZINC001433561267 1001885271 /nfs/dbraw/zinc/88/52/71/1001885271.db2.gz DPHMQGMZISFNFO-SNVBAGLBSA-N -1 0 318.337 -0.802 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001413599098 1001888988 /nfs/dbraw/zinc/88/89/88/1001888988.db2.gz OSYXUBJZGIVHOS-SFYZADRCSA-N -1 0 318.355 -0.981 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC(=O)OCc1ccccc1 ZINC001433591229 1001892137 /nfs/dbraw/zinc/89/21/37/1001892137.db2.gz XAEXMFCNJNBVFX-UHFFFAOYSA-N -1 0 306.278 -0.451 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCc1ccc2c(c1)OCO2 ZINC001433590245 1001892414 /nfs/dbraw/zinc/89/24/14/1001892414.db2.gz KIRIVKQHDSBNPF-UHFFFAOYSA-N -1 0 306.278 -0.223 20 0 DBADRM CO[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001591474069 1016540212 /nfs/dbraw/zinc/54/02/12/1016540212.db2.gz CTWBAAQLFWYKDE-IUCAKERBSA-N -1 0 306.330 -0.468 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC001433661499 1001926652 /nfs/dbraw/zinc/92/66/52/1001926652.db2.gz OPCYFWLFVJDJHA-CYBMUJFWSA-N -1 0 300.322 -0.168 20 0 DBADRM COc1cc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)sn1 ZINC001591540342 1016548627 /nfs/dbraw/zinc/54/86/27/1016548627.db2.gz UPZLKVQFOQCLJC-UHFFFAOYSA-N -1 0 307.295 -0.358 20 0 DBADRM CC(C)N(C)C(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001591550197 1016548908 /nfs/dbraw/zinc/54/89/08/1016548908.db2.gz DIEOFHRBYSSWQD-NEPJUHHUSA-N -1 0 311.382 -0.282 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@]2(C)CCCS2(=O)=O)n[nH]1 ZINC001433726607 1001999911 /nfs/dbraw/zinc/99/99/11/1001999911.db2.gz DZZVYLVYOQGSCY-NSHDSACASA-N -1 0 316.339 -0.574 20 0 DBADRM C[C@@](O)(CNC(=O)c1cccc(-n2[n-]nnc2=N)c1)C1CC1 ZINC001433731684 1002002424 /nfs/dbraw/zinc/00/24/24/1002002424.db2.gz BSWSENDQDKOHAL-CQSZACIVSA-N -1 0 302.338 -0.034 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)c2cccn2C)c1[O-] ZINC001425352156 1002003018 /nfs/dbraw/zinc/00/30/18/1002003018.db2.gz IUYFTDYGSIERMZ-VIFPVBQESA-N -1 0 321.337 -0.717 20 0 DBADRM CS[C@H](CO)[C@@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001433812643 1002043608 /nfs/dbraw/zinc/04/36/08/1002043608.db2.gz UVFYEHZISRORSD-HTQZYQBOSA-N -1 0 304.372 -0.302 20 0 DBADRM CC(C)NC(=O)CCCC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001591640401 1016555999 /nfs/dbraw/zinc/55/59/99/1016555999.db2.gz VOCAHWUJXYKTMK-GHMZBOCLSA-N -1 0 300.355 -0.025 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC2(F)F)c1[O-] ZINC001425369052 1002021977 /nfs/dbraw/zinc/02/19/77/1002021977.db2.gz RFPCAGFAKGTHAX-RQJHMYQMSA-N -1 0 318.280 -0.714 20 0 DBADRM CCn1cc(-c2nn(C)cc2C(=O)NC[C@H](O)C(=O)[O-])cn1 ZINC001597870039 1017209195 /nfs/dbraw/zinc/20/91/95/1017209195.db2.gz OGJOAOZZWXAAHH-JTQLQIEISA-N -1 0 307.310 -0.521 20 0 DBADRM COC(=O)C[C@@H](C)N1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001433779296 1002026148 /nfs/dbraw/zinc/02/61/48/1002026148.db2.gz XWMQMZCDRWJYTH-SNVBAGLBSA-N -1 0 310.358 -0.772 20 0 DBADRM COC(=O)C[C@H](C)N1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001433779288 1002026433 /nfs/dbraw/zinc/02/64/33/1002026433.db2.gz XWMQMZCDRWJYTH-JTQLQIEISA-N -1 0 310.358 -0.772 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001591640922 1016556806 /nfs/dbraw/zinc/55/68/06/1016556806.db2.gz CQYKMZZFIAWBJV-CQSZACIVSA-N -1 0 315.370 -0.807 20 0 DBADRM CC(C)N1CC[C@H](n2nnnc2N2CC[C@H](C(=O)[O-])C2)C1=O ZINC001591623245 1016556831 /nfs/dbraw/zinc/55/68/31/1016556831.db2.gz RAOLSTOKHOBHEY-UWVGGRQHSA-N -1 0 308.342 -0.234 20 0 DBADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CC[C@H](O)[C@@H](CO)C1 ZINC001413841057 1002034785 /nfs/dbraw/zinc/03/47/85/1002034785.db2.gz MYXXVTCHKGALRT-NEPJUHHUSA-N -1 0 319.317 -0.155 20 0 DBADRM CS[C@@H](CO)[C@@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001433812679 1002043135 /nfs/dbraw/zinc/04/31/35/1002043135.db2.gz UVFYEHZISRORSD-SFYZADRCSA-N -1 0 304.372 -0.302 20 0 DBADRM O=C(CCc1ccsc1)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001425398522 1002045808 /nfs/dbraw/zinc/04/58/08/1002045808.db2.gz AAHWAACLZWIQAW-SNVBAGLBSA-N -1 0 323.378 -0.294 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)c1c[n-]n2c1nccc2=O ZINC001433818957 1002047541 /nfs/dbraw/zinc/04/75/41/1002047541.db2.gz WFMBPRFAQLDOQF-MRVPVSSYSA-N -1 0 312.351 -0.424 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001591661454 1016560300 /nfs/dbraw/zinc/56/03/00/1016560300.db2.gz NXHHUQKXFRAKCJ-DTORHVGOSA-N -1 0 307.372 -0.523 20 0 DBADRM CC(C)NC(=O)OC1CN(C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001591655630 1016560700 /nfs/dbraw/zinc/56/07/00/1016560700.db2.gz SOIXGMXDEHPTBY-UHFFFAOYSA-N -1 0 310.310 -0.073 20 0 DBADRM CC(C)NC(=O)OC1CN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC001591657623 1016561168 /nfs/dbraw/zinc/56/11/68/1016561168.db2.gz VHOAAXRADXBTSG-UHFFFAOYSA-N -1 0 323.371 -0.544 20 0 DBADRM CC(C)NC(=O)OC1CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC001591657705 1016561476 /nfs/dbraw/zinc/56/14/76/1016561476.db2.gz XRGPIAAZULQLIA-MRVPVSSYSA-N -1 0 308.356 -0.144 20 0 DBADRM O=C(CCc1nnn[n-]1)NC1CCN([C@@H]2CCOC2=O)CC1 ZINC001433834122 1002058801 /nfs/dbraw/zinc/05/88/01/1002058801.db2.gz QXIHPCAZQXRRKF-SNVBAGLBSA-N -1 0 308.342 -0.972 20 0 DBADRM O=C(CCc1nnn[n-]1)NC1CCN([C@H]2CCOC2=O)CC1 ZINC001433834114 1002059236 /nfs/dbraw/zinc/05/92/36/1002059236.db2.gz QXIHPCAZQXRRKF-JTQLQIEISA-N -1 0 308.342 -0.972 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NN3CCCC3=O)cc2=O)n1 ZINC001433842554 1002065312 /nfs/dbraw/zinc/06/53/12/1002065312.db2.gz KBPGRMLFDSLHOF-UHFFFAOYSA-N -1 0 316.321 -0.160 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001591673228 1016562904 /nfs/dbraw/zinc/56/29/04/1016562904.db2.gz NYTGBDIWQLZSKN-VIFPVBQESA-N -1 0 323.382 -0.082 20 0 DBADRM CN(Cc1ncc(Cl)n1C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001433848722 1002069042 /nfs/dbraw/zinc/06/90/42/1002069042.db2.gz PRYRRFRCQLMHJO-UHFFFAOYSA-N -1 0 300.706 -0.265 20 0 DBADRM COC(=O)CCN1CCN(C(=O)CCc2nnn[n-]2)C[C@H]1C ZINC001433852790 1002071764 /nfs/dbraw/zinc/07/17/64/1002071764.db2.gz BXDIFWZBDMFNSE-SNVBAGLBSA-N -1 0 310.358 -0.772 20 0 DBADRM O=C(NC[C@@H](CO)NC(=O)C1CC1)c1ccc2oc(=O)nc-2[n-]1 ZINC001425441271 1002082242 /nfs/dbraw/zinc/08/22/42/1002082242.db2.gz IGFWFSLXLPXCCB-QMMMGPOBSA-N -1 0 320.305 -0.455 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)c2c[n-]ncc2=O)CC1 ZINC001433874711 1002085777 /nfs/dbraw/zinc/08/57/77/1002085777.db2.gz HFHLLRCDILLGDB-UHFFFAOYSA-N -1 0 314.367 -0.274 20 0 DBADRM COCC1(O)CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001433874396 1002086186 /nfs/dbraw/zinc/08/61/86/1002086186.db2.gz IMKIXBILCCHBEF-UHFFFAOYSA-N -1 0 302.356 -0.398 20 0 DBADRM CS(=O)(=O)Cc1nc(C(=O)[N-]N2CCCNC2=O)co1 ZINC001433873669 1002087155 /nfs/dbraw/zinc/08/71/55/1002087155.db2.gz GWNARZXKHPNIHW-UHFFFAOYSA-N -1 0 302.312 -0.721 20 0 DBADRM COC[C@H](O)CNC(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001413955298 1002088453 /nfs/dbraw/zinc/08/84/53/1002088453.db2.gz PFLHFQZQHORKKK-NXEZZACHSA-N -1 0 311.342 -0.933 20 0 DBADRM COC(=O)C1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCCCC1 ZINC001433893961 1002097074 /nfs/dbraw/zinc/09/70/74/1002097074.db2.gz AAVOYZUKRBMZMI-UHFFFAOYSA-N -1 0 312.326 -0.071 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@]12CCO[C@@H]1CCCC2 ZINC001433903448 1002103392 /nfs/dbraw/zinc/10/33/92/1002103392.db2.gz HQCKBJMEQXSGRS-MFKMUULPSA-N -1 0 318.395 -0.082 20 0 DBADRM COc1cc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)ncn1 ZINC001433924774 1002116040 /nfs/dbraw/zinc/11/60/40/1002116040.db2.gz LXXAJAVWKMVMGV-QMMMGPOBSA-N -1 0 307.339 -0.071 20 0 DBADRM COc1cncc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)n1 ZINC001433926117 1002119487 /nfs/dbraw/zinc/11/94/87/1002119487.db2.gz RFHCFQHRCRHUAR-QMMMGPOBSA-N -1 0 307.339 -0.071 20 0 DBADRM O=C(COCc1cccnc1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001433936449 1002125114 /nfs/dbraw/zinc/12/51/14/1002125114.db2.gz HDSYKNBNNUDHFA-UHFFFAOYSA-N -1 0 318.337 -0.379 20 0 DBADRM COC(=O)C[C@@]1(NC(=O)CSc2n[nH]c(=O)[n-]2)CCOC1 ZINC001433937030 1002127204 /nfs/dbraw/zinc/12/72/04/1002127204.db2.gz FCZWVTNNUQAGBX-NSHDSACASA-N -1 0 316.339 -0.559 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001433939529 1002127291 /nfs/dbraw/zinc/12/72/91/1002127291.db2.gz VXTQNSJEQXFKCP-UHFFFAOYSA-N -1 0 324.385 -0.438 20 0 DBADRM O=C(C[C@H]1NC(=O)c2ccccc21)NCCc1nc(=O)o[n-]1 ZINC001433960348 1002135043 /nfs/dbraw/zinc/13/50/43/1002135043.db2.gz HKWQIKJXEQSIAW-SNVBAGLBSA-N -1 0 302.290 -0.104 20 0 DBADRM CCC(CC)(NC(=O)c1cn(C)c(=O)[nH]c1=O)c1nnn[n-]1 ZINC001433967221 1002140318 /nfs/dbraw/zinc/14/03/18/1002140318.db2.gz OHFJPYURWFDNQB-UHFFFAOYSA-N -1 0 307.314 -0.556 20 0 DBADRM CCOC(=O)c1cn(CCNC(=O)c2c[n-]ncc2=O)cn1 ZINC001433970315 1002141606 /nfs/dbraw/zinc/14/16/06/1002141606.db2.gz YEQZJJYWHADOOL-UHFFFAOYSA-N -1 0 305.294 -0.015 20 0 DBADRM CNC(=O)CC[C@@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001433972019 1002143787 /nfs/dbraw/zinc/14/37/87/1002143787.db2.gz GNXBHHJKRDQEAW-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM O=C(CCc1nnn[n-]1)NCc1nc(CN2CCCCC2)no1 ZINC001433985611 1002149086 /nfs/dbraw/zinc/14/90/86/1002149086.db2.gz CMGPUMITNNUJAN-UHFFFAOYSA-N -1 0 320.357 -0.182 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCCN1C(=O)CCc1nnn[n-]1 ZINC001434015522 1002167941 /nfs/dbraw/zinc/16/79/41/1002167941.db2.gz VGBDHMOHIUBUPJ-VIFPVBQESA-N -1 0 301.372 -0.442 20 0 DBADRM CSC[C@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591697176 1016577620 /nfs/dbraw/zinc/57/76/20/1016577620.db2.gz DHRWVANQWSIFIZ-SSDOTTSWSA-N -1 0 323.382 -0.415 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)C1=CCS(=O)(=O)C1 ZINC001591704328 1016578258 /nfs/dbraw/zinc/57/82/58/1016578258.db2.gz FTUBPADXOFIGMV-SNVBAGLBSA-N -1 0 305.352 -0.322 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001434037221 1002185295 /nfs/dbraw/zinc/18/52/95/1002185295.db2.gz FCUOZVDFMBVUPM-CPFSXVBKSA-N -1 0 301.262 -0.331 20 0 DBADRM CC(=O)NCC[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001434040487 1002188182 /nfs/dbraw/zinc/18/81/82/1002188182.db2.gz FEVJTCBWUKIKFO-SNVBAGLBSA-N -1 0 311.342 -0.546 20 0 DBADRM COC(=O)COc1cccc(C(=O)Nn2c(=O)[n-][nH]c2=O)c1 ZINC001434043501 1002189592 /nfs/dbraw/zinc/18/95/92/1002189592.db2.gz RYLKSGZRURKSMC-UHFFFAOYSA-N -1 0 308.250 -0.375 20 0 DBADRM C[C@]1(NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CCOC1=O ZINC001434045612 1002190805 /nfs/dbraw/zinc/19/08/05/1002190805.db2.gz PRKMWBSECKEZGP-AWEZNQCLSA-N -1 0 318.289 -0.298 20 0 DBADRM C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)C(=O)N(C)C ZINC001591729499 1016582906 /nfs/dbraw/zinc/58/29/06/1016582906.db2.gz VVDHNYPQKVLWJN-SSDOTTSWSA-N -1 0 304.310 -0.221 20 0 DBADRM COC[C@@H](C)C(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001434054536 1002204222 /nfs/dbraw/zinc/20/42/22/1002204222.db2.gz FPPNQUNUJFMSLM-MRVPVSSYSA-N -1 0 310.354 -0.011 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)CC1CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001414140926 1002217152 /nfs/dbraw/zinc/21/71/52/1002217152.db2.gz LHJNBVLFHPQABK-JTQLQIEISA-N -1 0 323.353 -0.451 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)OCc1noc(CCC(=O)[O-])n1 ZINC001591820898 1016596750 /nfs/dbraw/zinc/59/67/50/1016596750.db2.gz XFYNJCOXRVFSSS-UHFFFAOYSA-N -1 0 320.323 -0.047 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@]1(O)CCOC1 ZINC001414232087 1002267458 /nfs/dbraw/zinc/26/74/58/1002267458.db2.gz JYLVTGXZODMYJO-YPMLDQLKSA-N -1 0 314.429 -0.132 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1CCc2cncn2C1 ZINC001434121605 1002275747 /nfs/dbraw/zinc/27/57/47/1002275747.db2.gz XGTCYXOVFJGBFX-VIFPVBQESA-N -1 0 306.326 -0.203 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CCCCO)c(=O)n1C1CC1 ZINC001591793959 1016595837 /nfs/dbraw/zinc/59/58/37/1016595837.db2.gz QUNMQLZUMWLYEI-UHFFFAOYSA-N -1 0 306.326 -0.394 20 0 DBADRM Cc1c(C(=O)NCCc2nc(=O)o[n-]2)cccc1-c1nn[nH]n1 ZINC001591808409 1016596410 /nfs/dbraw/zinc/59/64/10/1016596410.db2.gz ALVQDYDYMZFSFZ-UHFFFAOYSA-N -1 0 315.293 -0.176 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@@H](CO)[N-]S(=O)(=O)N=S(C)(C)=O ZINC001414254305 1002287388 /nfs/dbraw/zinc/28/73/88/1002287388.db2.gz ABMYOQAZVVOESO-IUCAKERBSA-N -1 0 316.445 -0.294 20 0 DBADRM COC(=O)[C@H](CCF)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001434152732 1002295971 /nfs/dbraw/zinc/29/59/71/1002295971.db2.gz UKAIQKSWTPVZTB-JTQLQIEISA-N -1 0 322.300 -0.294 20 0 DBADRM CC(C)Oc1cncc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC001591809485 1016598612 /nfs/dbraw/zinc/59/86/12/1016598612.db2.gz GHYPYMWPHAOKCZ-JTQLQIEISA-N -1 0 304.324 -0.407 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001591820418 1016598874 /nfs/dbraw/zinc/59/88/74/1016598874.db2.gz HWEFQPXPNSBDQB-NSHDSACASA-N -1 0 307.368 -0.506 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](OC)C2CC2)n[nH]1 ZINC001414271508 1002300530 /nfs/dbraw/zinc/30/05/30/1002300530.db2.gz SCEJMBUAZFHYMD-SECBINFHSA-N -1 0 303.340 -0.100 20 0 DBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)CCOC1CCOCC1 ZINC001414277643 1002301144 /nfs/dbraw/zinc/30/11/44/1002301144.db2.gz PTTPOYMCKJXBMV-JTQLQIEISA-N -1 0 313.347 -0.388 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N[C@@H]2C[C@@H](C)OC2=O)CC1 ZINC001414274753 1002301782 /nfs/dbraw/zinc/30/17/82/1002301782.db2.gz DVUGIHTZTFDLFS-RKDXNWHRSA-N -1 0 305.352 -0.047 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H]1COC[C@H]1OC ZINC001414278585 1002305079 /nfs/dbraw/zinc/30/50/79/1002305079.db2.gz JOCFOPNHGVUIEH-DTWKUNHWSA-N -1 0 305.308 -0.242 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCCCCC(N)=O ZINC001591835486 1016600445 /nfs/dbraw/zinc/60/04/45/1016600445.db2.gz BSKMSVVJVMAPLX-UHFFFAOYSA-N -1 0 319.325 -0.339 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)n(Cc2ncnn2CCF)c1 ZINC001591836979 1016600855 /nfs/dbraw/zinc/60/08/55/1016600855.db2.gz QSAWROZVQJJTAY-UHFFFAOYSA-N -1 0 304.289 -0.054 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1cc2c([nH]c1=O)CCC2 ZINC001434188979 1002311165 /nfs/dbraw/zinc/31/11/65/1002311165.db2.gz ZNJPNDMQNYSDDV-UHFFFAOYSA-N -1 0 305.294 -0.405 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)nn1 ZINC001597887580 1017211714 /nfs/dbraw/zinc/21/17/14/1017211714.db2.gz OYIPPLDDOQLOCV-WCBMZHEXSA-N -1 0 309.326 -0.764 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NN1CCCC1=O ZINC001591835281 1016601629 /nfs/dbraw/zinc/60/16/29/1016601629.db2.gz BQYLFVKRKGMLOY-UHFFFAOYSA-N -1 0 303.282 -0.457 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N[C@@H](CO)c1cccnc1 ZINC001414310961 1002318641 /nfs/dbraw/zinc/31/86/41/1002318641.db2.gz RLTRGSDGJKIENW-OVWNDWIMSA-N -1 0 322.412 -0.476 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N[C@H](CO)c1cccnc1 ZINC001414310946 1002317684 /nfs/dbraw/zinc/31/76/84/1002317684.db2.gz RLTRGSDGJKIENW-GIGQVBGESA-N -1 0 322.412 -0.476 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@@H](CCSC)c1nnn[n-]1 ZINC001434201819 1002318457 /nfs/dbraw/zinc/31/84/57/1002318457.db2.gz PRSDTHJSLIHYGU-YUMQZZPRSA-N -1 0 317.371 -0.576 20 0 DBADRM CC(C)(CCN1CCOCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001434205368 1002319872 /nfs/dbraw/zinc/31/98/72/1002319872.db2.gz ARPVHTWYWSTGBT-UHFFFAOYSA-N -1 0 313.358 -0.694 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN(C)C(=O)C(C)(F)F)c1[O-] ZINC001425721818 1002326943 /nfs/dbraw/zinc/32/69/43/1002326943.db2.gz GXMWOPGTJVZFCI-SSDOTTSWSA-N -1 0 320.296 -0.372 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@@H]1CCN(C)C(=O)C1)C(=O)[O-] ZINC001591871626 1016604262 /nfs/dbraw/zinc/60/42/62/1016604262.db2.gz GBPLVLZMWFWTJP-SKDRFNHKSA-N -1 0 314.338 -0.377 20 0 DBADRM CN(C(=O)c1cn(CCO)nc1C1CCOCC1)c1nnn[n-]1 ZINC001434232962 1002332794 /nfs/dbraw/zinc/33/27/94/1002332794.db2.gz UVHWSZSKCCQOAS-UHFFFAOYSA-N -1 0 321.341 -0.441 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001434230265 1002333223 /nfs/dbraw/zinc/33/32/23/1002333223.db2.gz DIGFEANJNMVVPN-UHFFFAOYSA-N -1 0 303.340 -0.425 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NS(=O)(=O)Cc1ccon1 ZINC001414342584 1002333067 /nfs/dbraw/zinc/33/30/67/1002333067.db2.gz WVTUUDXAFJRZJK-JTQLQIEISA-N -1 0 313.339 -0.826 20 0 DBADRM CC(C)[C@H](NC(=O)CN(C)[C@H](C)[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001591867637 1016605134 /nfs/dbraw/zinc/60/51/34/1016605134.db2.gz SYMSPKOTTCXAER-SCVCMEIPSA-N -1 0 322.427 -0.035 20 0 DBADRM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)C1=CCS(=O)(=O)C1 ZINC001434238169 1002338760 /nfs/dbraw/zinc/33/87/60/1002338760.db2.gz UZMVNBKMFAJBOJ-NSHDSACASA-N -1 0 319.346 -0.240 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1ncc(Br)cn1 ZINC001434246845 1002343192 /nfs/dbraw/zinc/34/31/92/1002343192.db2.gz VWCSWODOZWTJGQ-UHFFFAOYSA-N -1 0 312.083 -0.115 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)c1ccc(=O)n(C)c1)C(=O)[O-] ZINC001591877527 1016608684 /nfs/dbraw/zinc/60/86/84/1016608684.db2.gz FKGJGOHBFCMWDQ-LBPRGKRZSA-N -1 0 310.306 -0.233 20 0 DBADRM Cc1cc(-c2nn[nH]n2)cnc1C(=O)N(C)Cc1n[n-]c(=O)o1 ZINC001591874339 1016607127 /nfs/dbraw/zinc/60/71/27/1016607127.db2.gz QLMDBZGHUXIGKM-UHFFFAOYSA-N -1 0 316.281 -0.069 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)CNC(=O)C1CC1)C(=O)[O-] ZINC001591878443 1016607501 /nfs/dbraw/zinc/60/75/01/1016607501.db2.gz MUOJDHCKENAYFS-NSHDSACASA-N -1 0 300.311 -0.719 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N2CCOC[C@H]2c2nnn[n-]2)C1 ZINC001434274912 1002353158 /nfs/dbraw/zinc/35/31/58/1002353158.db2.gz KRQWPIAONOWXDK-ZJUUUORDSA-N -1 0 308.342 -0.642 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1nnc(C)[nH]1 ZINC001414370839 1002353367 /nfs/dbraw/zinc/35/33/67/1002353367.db2.gz RANJMRHTUODXLA-UHFFFAOYSA-N -1 0 300.296 -0.029 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@@H](NC=O)C(C)C)C(=O)[O-] ZINC001591878217 1016607799 /nfs/dbraw/zinc/60/77/99/1016607799.db2.gz IWQMPNXDLZGMRP-QWRGUYRKSA-N -1 0 302.327 -0.474 20 0 DBADRM Cc1cn2c(n1)C[C@@H](C(=O)N1CCOC[C@H]1c1nnn[n-]1)CC2 ZINC001434278380 1002355059 /nfs/dbraw/zinc/35/50/59/1002355059.db2.gz UHLBIXRMLFQBTC-QWRGUYRKSA-N -1 0 317.353 -0.133 20 0 DBADRM O=C(c1cnn2c1OCCC2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001434278531 1002355808 /nfs/dbraw/zinc/35/58/08/1002355808.db2.gz VVPOJWCVUACUPP-SECBINFHSA-N -1 0 305.298 -0.608 20 0 DBADRM CCO[C@@H]1C[C@](O)(CNC(=O)N=c2nn[n-]n2CC)C1(C)C ZINC001414446074 1002375036 /nfs/dbraw/zinc/37/50/36/1002375036.db2.gz JFHYYPPMRQSUCW-RNCFNFMXSA-N -1 0 312.374 -0.198 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001591894205 1016611682 /nfs/dbraw/zinc/61/16/82/1016611682.db2.gz CKTTVACAVSSHKA-GWCFXTLKSA-N -1 0 301.343 -0.181 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NC[C@@H]2CCCS2(=O)=O)n1 ZINC001591896799 1016611779 /nfs/dbraw/zinc/61/17/79/1016611779.db2.gz VNNFJDPMWUUECJ-QMMMGPOBSA-N -1 0 309.355 -0.046 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)N=c2nn[n-]n2CC)[C@]12CCCO2 ZINC001414447457 1002376995 /nfs/dbraw/zinc/37/69/95/1002376995.db2.gz MRXYHMDEDSBLAL-OPQQBVKSSA-N -1 0 310.358 -0.037 20 0 DBADRM Cn1cnc(NC(=O)N2CCC(n3c(=O)[n-][nH]c3=O)CC2)n1 ZINC001414461629 1002377739 /nfs/dbraw/zinc/37/77/39/1002377739.db2.gz ZOQMKZHWTPOBEV-UHFFFAOYSA-N -1 0 308.302 -0.313 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001591894314 1016612009 /nfs/dbraw/zinc/61/20/09/1016612009.db2.gz GXYYHBPHLOGLEA-GUBZILKMSA-N -1 0 301.343 -0.467 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CC(OCC(=O)N(C)C)C2)n1 ZINC001591885618 1016612206 /nfs/dbraw/zinc/61/22/06/1016612206.db2.gz NYYISOICXZWTHF-UHFFFAOYSA-N -1 0 318.341 -0.741 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](CO)OC(C)(C)C2)n1 ZINC001591883813 1016612354 /nfs/dbraw/zinc/61/23/54/1016612354.db2.gz IFWHZNAXSVQWRQ-VIFPVBQESA-N -1 0 305.342 -0.059 20 0 DBADRM CC(C)[C@H](NC(=O)Cn1cc(C(=O)N(C)C)ccc1=O)C(=O)[O-] ZINC001591886052 1016613263 /nfs/dbraw/zinc/61/32/63/1016613263.db2.gz XHDRWSXGCPQQDU-ZDUSSCGKSA-N -1 0 323.349 -0.225 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCC[C@H](S(N)(=O)=O)C2)n1 ZINC001591887688 1016613377 /nfs/dbraw/zinc/61/33/77/1016613377.db2.gz FJIBLVLXEBRESZ-QMMMGPOBSA-N -1 0 324.370 -0.778 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 ZINC001425764382 1002396639 /nfs/dbraw/zinc/39/66/39/1002396639.db2.gz SOKLBHDXEVUPJF-VHSXEESVSA-N -1 0 308.342 -0.222 20 0 DBADRM CS(=O)(=O)CCC(=O)N1CCC(Cc2nn[nH]n2)CC1 ZINC001434345222 1002400742 /nfs/dbraw/zinc/40/07/42/1002400742.db2.gz LERZCVRYVMDULW-UHFFFAOYSA-N -1 0 301.372 -0.585 20 0 DBADRM CN(CCNC(=O)c1ccc(O)cc1O)CCS(C)(=O)=O ZINC001434344449 1002401271 /nfs/dbraw/zinc/40/12/71/1002401271.db2.gz FJIRLTHELICCJY-UHFFFAOYSA-N -1 0 316.379 -0.196 20 0 DBADRM COCC(=O)NCCC(=O)N1CCC(Cc2nn[nH]n2)CC1 ZINC001434344584 1002402197 /nfs/dbraw/zinc/40/21/97/1002402197.db2.gz HNRSECDLYMVWSE-UHFFFAOYSA-N -1 0 310.358 -0.867 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)N1CCC(Cc2nn[nH]n2)CC1 ZINC001434344689 1002402900 /nfs/dbraw/zinc/40/29/00/1002402900.db2.gz IBJDMMPETBLATK-UHFFFAOYSA-N -1 0 313.383 -0.585 20 0 DBADRM C[S@@](=N)(=O)N1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001434349768 1002407499 /nfs/dbraw/zinc/40/74/99/1002407499.db2.gz IBYYNXBMXAEGIE-QFIPXVFZSA-N -1 0 324.366 -0.628 20 0 DBADRM COC[C@@H](NC(=O)Cc1ccc([S@@](C)=O)cc1)c1nnn[n-]1 ZINC001434364207 1002415455 /nfs/dbraw/zinc/41/54/55/1002415455.db2.gz QGFVNRRBCRKDHZ-RKFFSXRUSA-N -1 0 323.378 -0.017 20 0 DBADRM CN(C)C(=O)CN1CCCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC001434362380 1002416525 /nfs/dbraw/zinc/41/65/25/1002416525.db2.gz NFTBLABWGUBSKE-UHFFFAOYSA-N -1 0 309.370 -0.638 20 0 DBADRM COC[C@H](NC(=O)Cc1ccc(OC)c(O)c1)c1nnn[n-]1 ZINC001434364915 1002418704 /nfs/dbraw/zinc/41/87/04/1002418704.db2.gz TZAVMGIAWHCVPK-VIFPVBQESA-N -1 0 307.310 -0.040 20 0 DBADRM CCCC(=O)N[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001414549606 1002423866 /nfs/dbraw/zinc/42/38/66/1002423866.db2.gz DZCUJJRMFKYOMH-SECBINFHSA-N -1 0 323.353 -0.267 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]2CC23CC3)c1[O-] ZINC001425783416 1002426874 /nfs/dbraw/zinc/42/68/74/1002426874.db2.gz KUVVSBDPYUWVBV-ZJUUUORDSA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1cc(F)ncc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591993372 1016619287 /nfs/dbraw/zinc/61/92/87/1016619287.db2.gz HIIHLSXWYADKGL-UHFFFAOYSA-N -1 0 317.288 -0.269 20 0 DBADRM Cc1cc(CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)on1 ZINC001591966039 1016619397 /nfs/dbraw/zinc/61/93/97/1016619397.db2.gz QEWFHMNRMYPTMR-UHFFFAOYSA-N -1 0 318.301 -0.746 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(F)(F)OC(F)(F)C1 ZINC001434378627 1002429915 /nfs/dbraw/zinc/42/99/15/1002429915.db2.gz UXXZFBDVYZHOEO-UHFFFAOYSA-N -1 0 300.168 -0.266 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC001434377416 1002431179 /nfs/dbraw/zinc/43/11/79/1002431179.db2.gz DLEMFQYIANKLOS-LFFFPOIESA-N -1 0 313.375 -0.197 20 0 DBADRM Cc1cc(COC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)nn1C ZINC001591970088 1016620325 /nfs/dbraw/zinc/62/03/25/1016620325.db2.gz FUDIYMZYOWQCFE-MRVPVSSYSA-N -1 0 317.313 -0.195 20 0 DBADRM CCc1cncc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001425788219 1002432553 /nfs/dbraw/zinc/43/25/53/1002432553.db2.gz YQFWOBNWEZFWCJ-NSHDSACASA-N -1 0 320.353 -0.652 20 0 DBADRM Cc1cc(C(=O)[N-]N2CC(=O)N(C)C2=O)ncc1-c1nn[nH]n1 ZINC001591929342 1016620984 /nfs/dbraw/zinc/62/09/84/1016620984.db2.gz YIPJUSLSQIBQBO-UHFFFAOYSA-N -1 0 316.281 -0.891 20 0 DBADRM Cc1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)nc(C)n1 ZINC001591928576 1016621074 /nfs/dbraw/zinc/62/10/74/1016621074.db2.gz IKOGSFSFOXUIGN-UHFFFAOYSA-N -1 0 314.313 -0.705 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@H](CO)c2ncc[nH]2)cc1=O ZINC001434393546 1002443210 /nfs/dbraw/zinc/44/32/10/1002443210.db2.gz YYFIQXPEQCGXDC-LLVKDONJSA-N -1 0 307.354 -0.052 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(C(=O)c2c[n-]ncc2=O)CCO1 ZINC001434399929 1002447222 /nfs/dbraw/zinc/44/72/22/1002447222.db2.gz LJAACSSOEMCCPB-QMMMGPOBSA-N -1 0 301.324 -0.932 20 0 DBADRM CO[C@@]1(C(=O)N[C@H](C)c2nn(C)cc2[O-])CCS(=O)(=O)C1 ZINC001434407663 1002453889 /nfs/dbraw/zinc/45/38/89/1002453889.db2.gz PJCGHGBCVHHCBN-PELKAZGASA-N -1 0 317.367 -0.493 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1[O-] ZINC001434409713 1002456516 /nfs/dbraw/zinc/45/65/16/1002456516.db2.gz NNKAWODHMFADNQ-QMMMGPOBSA-N -1 0 304.310 -0.072 20 0 DBADRM Cc1cc(NC(=O)Cc2[nH]c(O)nc2O)cc(-c2nnn[n-]2)c1 ZINC001592018934 1016624097 /nfs/dbraw/zinc/62/40/97/1016624097.db2.gz UYHUXVSHUQLYRH-VIFPVBQESA-N -1 0 315.293 -0.288 20 0 DBADRM Cn1nnc(CNC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC001414626755 1002466716 /nfs/dbraw/zinc/46/67/16/1002466716.db2.gz QKWUITZAMPMZBP-SSDOTTSWSA-N -1 0 307.318 -0.877 20 0 DBADRM CC(C)c1nc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c[nH]1 ZINC001592030836 1016625420 /nfs/dbraw/zinc/62/54/20/1016625420.db2.gz YSRQUECIEQCRFY-RKDXNWHRSA-N -1 0 317.367 -0.011 20 0 DBADRM Cn1nccc1[C@]1(O)C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]1 ZINC001434440785 1002472362 /nfs/dbraw/zinc/47/23/62/1002472362.db2.gz PHDVGUNWPFPVET-QRJZZWFUSA-N -1 0 318.337 -0.101 20 0 DBADRM C[C@H](C1CC1)N(C)C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001592178040 1016631190 /nfs/dbraw/zinc/63/11/90/1016631190.db2.gz AGAXKEFXWWTIOF-SECBINFHSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)n1nccc1NC(=O)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001592169693 1016631253 /nfs/dbraw/zinc/63/12/53/1016631253.db2.gz PNRKXMIVCWRVJA-GXSJLCMTSA-N -1 0 324.337 -0.161 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)CC1(C)CCOCC1 ZINC001434564426 1002530418 /nfs/dbraw/zinc/53/04/18/1002530418.db2.gz GIQMJZBAKQXPRN-JTQLQIEISA-N -1 0 309.384 -0.354 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H]1CCCC(C)(C)O1 ZINC001434564254 1002531019 /nfs/dbraw/zinc/53/10/19/1002531019.db2.gz FDFPOUUUDICBPS-UWVGGRQHSA-N -1 0 309.384 -0.213 20 0 DBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001592178462 1016634587 /nfs/dbraw/zinc/63/45/87/1016634587.db2.gz MOFVDCKSEMOZIF-PSASIEDQSA-N -1 0 322.383 -0.233 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC001592189729 1016634870 /nfs/dbraw/zinc/63/48/70/1016634870.db2.gz BNSKLYBCGGTFTK-NWALNABHSA-N -1 0 304.368 -0.197 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC001592210187 1016634948 /nfs/dbraw/zinc/63/49/48/1016634948.db2.gz BIVIRZBKBUFVGO-HKQQGCEUSA-N -1 0 323.334 -0.030 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001592192459 1016635656 /nfs/dbraw/zinc/63/56/56/1016635656.db2.gz MVXJJYXXEFJXLE-WRCSQDLZSA-N -1 0 306.322 -0.438 20 0 DBADRM Cc1ccc(NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)nc1 ZINC001592179878 1016636123 /nfs/dbraw/zinc/63/61/23/1016636123.db2.gz MTNCXLIRNJKHAI-UHFFFAOYSA-N -1 0 314.313 -0.017 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC001592193058 1016636266 /nfs/dbraw/zinc/63/62/66/1016636266.db2.gz PTFKGZNRHVGPGM-HIHHVFROSA-N -1 0 304.368 -0.749 20 0 DBADRM CC1(CC(=O)N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001414788572 1002552069 /nfs/dbraw/zinc/55/20/69/1002552069.db2.gz MLZBNORDXJIZEZ-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCO[C@@H](C)C1)[C@@H](C)O ZINC001434617032 1002556855 /nfs/dbraw/zinc/55/68/55/1002556855.db2.gz VISFEXDPFTVELX-ZDCRXTMVSA-N -1 0 309.384 -0.357 20 0 DBADRM C[C@H](CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])c1cnn(C)c1 ZINC001592237313 1016638306 /nfs/dbraw/zinc/63/83/06/1016638306.db2.gz XKKYPYJBGPAMCV-MWLCHTKSSA-N -1 0 308.338 -0.285 20 0 DBADRM CC(=O)NC[C@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001414818572 1002560236 /nfs/dbraw/zinc/56/02/36/1002560236.db2.gz CQQDNTRWFDRFFI-JTQLQIEISA-N -1 0 309.326 -0.754 20 0 DBADRM CC(=O)NC[C@@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001414818584 1002560891 /nfs/dbraw/zinc/56/08/91/1002560891.db2.gz CQQDNTRWFDRFFI-SNVBAGLBSA-N -1 0 309.326 -0.754 20 0 DBADRM Cc1ccoc1CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592284285 1016641206 /nfs/dbraw/zinc/64/12/06/1016641206.db2.gz VCWZYOPZCBQCGI-UHFFFAOYSA-N -1 0 317.313 -0.141 20 0 DBADRM COC(=O)C(F)(F)C[N-]S(=O)(=O)CC1(C(=O)OC)CC1 ZINC001434652797 1002565321 /nfs/dbraw/zinc/56/53/21/1002565321.db2.gz MRXVIVGUXCPMIW-UHFFFAOYSA-N -1 0 315.294 -0.333 20 0 DBADRM C[C@H](CC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1)NC(N)=O ZINC001592261984 1016639724 /nfs/dbraw/zinc/63/97/24/1016639724.db2.gz KMIKHZDJEWWPMQ-MRVPVSSYSA-N -1 0 322.321 -0.114 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=S)NCCNS(C)(=O)=O)C1CC1 ZINC001592321090 1016641107 /nfs/dbraw/zinc/64/11/07/1016641107.db2.gz KDDZHUSDXVKJRG-NSHDSACASA-N -1 0 323.440 -0.357 20 0 DBADRM Cc1ccn(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c(=O)c1-c1nnn[n-]1 ZINC001592268070 1016641267 /nfs/dbraw/zinc/64/12/67/1016641267.db2.gz XUBGEJBQYNPHIG-IMXIGIQMSA-N -1 0 320.378 -0.500 20 0 DBADRM Cc1ccn(CN2CN(C)C(=O)[C@H]2C)c(=O)c1-c1nnn[n-]1 ZINC001592267286 1016641562 /nfs/dbraw/zinc/64/15/62/1016641562.db2.gz OGUWPCVIIQNBHN-SECBINFHSA-N -1 0 303.326 -0.586 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)CS(C)(=O)=O)c1cccnc1 ZINC001592292016 1016641582 /nfs/dbraw/zinc/64/15/82/1016641582.db2.gz ZWTYDDFVZGIHOP-GFCCVEGCSA-N -1 0 300.336 -0.068 20 0 DBADRM Cc1ccn(CCN2C(=O)CN(C)C2=O)c(=O)c1-c1nnn[n-]1 ZINC001592265827 1016642081 /nfs/dbraw/zinc/64/20/81/1016642081.db2.gz ISGHRYKNRNKOSL-UHFFFAOYSA-N -1 0 317.309 -0.769 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC001434730453 1002579582 /nfs/dbraw/zinc/57/95/82/1002579582.db2.gz UJYJTODOYSPGSY-YUMQZZPRSA-N -1 0 302.360 -0.798 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N(CCS(C)(=O)=O)C1CC1 ZINC001434729871 1002579891 /nfs/dbraw/zinc/57/98/91/1002579891.db2.gz KIADWNMZXBJGHH-UHFFFAOYSA-N -1 0 302.360 -0.844 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC001434730452 1002580484 /nfs/dbraw/zinc/58/04/84/1002580484.db2.gz UJYJTODOYSPGSY-SFYZADRCSA-N -1 0 302.360 -0.798 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001434729858 1002580568 /nfs/dbraw/zinc/58/05/68/1002580568.db2.gz JOPRQEPWOUXKNF-VIFPVBQESA-N -1 0 316.387 -0.454 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCC(=O)N1CCC[C@@H](C)C1 ZINC001434730237 1002580741 /nfs/dbraw/zinc/58/07/41/1002580741.db2.gz SDTDUXXAQKQUSR-SNVBAGLBSA-N -1 0 309.374 -0.115 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC001434730182 1002581065 /nfs/dbraw/zinc/58/10/65/1002581065.db2.gz QADHTYAMQASCLE-ZETCQYMHSA-N -1 0 302.360 -0.798 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)CCn1cc[nH]c(=O)c1=O)C1CC1 ZINC001592282017 1016642840 /nfs/dbraw/zinc/64/28/40/1016642840.db2.gz ATYWLNPUZUUYPR-AWEZNQCLSA-N -1 0 309.322 -0.314 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)CS(C)(=O)=O)c1ccncc1 ZINC001592291390 1016643042 /nfs/dbraw/zinc/64/30/42/1016643042.db2.gz QLEJFVJLPPIFLV-GFCCVEGCSA-N -1 0 300.336 -0.068 20 0 DBADRM CC(C)CC(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001414949077 1002605948 /nfs/dbraw/zinc/60/59/48/1002605948.db2.gz YCAATOGLQYHHRF-KYZUINATSA-N -1 0 311.342 -0.501 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001414977596 1002616137 /nfs/dbraw/zinc/61/61/37/1002616137.db2.gz NMTKAMBVEUFSTA-BWZBUEFSSA-N -1 0 315.305 -0.799 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001434817667 1002624045 /nfs/dbraw/zinc/62/40/45/1002624045.db2.gz QBBADNMMCQJJOF-OPRDCNLKSA-N -1 0 311.342 -0.187 20 0 DBADRM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001434847329 1002646098 /nfs/dbraw/zinc/64/60/98/1002646098.db2.gz WRRJRCRCBZBDTE-IAZYJMLFSA-N -1 0 319.365 -0.563 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])nc1C ZINC001597898255 1017213735 /nfs/dbraw/zinc/21/37/35/1017213735.db2.gz NXCOJAOHXACEPO-MWLCHTKSSA-N -1 0 317.367 -0.190 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001436317760 1002670069 /nfs/dbraw/zinc/67/00/69/1002670069.db2.gz FSNTZVYBOPLMJI-GHMZBOCLSA-N -1 0 324.385 -0.542 20 0 DBADRM C[C@H](CNC(=O)CC(C)(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415111190 1002671728 /nfs/dbraw/zinc/67/17/28/1002671728.db2.gz JMQXISLJPAARAM-MRVPVSSYSA-N -1 0 313.358 -0.254 20 0 DBADRM O=C(CC1CCOCC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001415113176 1002673654 /nfs/dbraw/zinc/67/36/54/1002673654.db2.gz AVMWIFQVNHJIRP-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM CC[C@H](F)C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001426079155 1002673921 /nfs/dbraw/zinc/67/39/21/1002673921.db2.gz JOOFVBIYTWTIGM-IUCAKERBSA-N -1 0 303.338 -0.491 20 0 DBADRM CN(C[C@H]1CCN1CCF)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001436326023 1002677901 /nfs/dbraw/zinc/67/79/01/1002677901.db2.gz ZMNOKPCHLOOGGT-SECBINFHSA-N -1 0 313.333 -0.282 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC001592385233 1016655240 /nfs/dbraw/zinc/65/52/40/1016655240.db2.gz JTQKLBKTARBFCY-SECBINFHSA-N -1 0 307.368 -0.457 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC001592385234 1016655711 /nfs/dbraw/zinc/65/57/11/1016655711.db2.gz JTQKLBKTARBFCY-VIFPVBQESA-N -1 0 307.368 -0.457 20 0 DBADRM Cc1nc(Cn2c(=O)c(-c3nnn[n-]3)c(C)n(C)c2=O)c(C)o1 ZINC001592363161 1016655965 /nfs/dbraw/zinc/65/59/65/1016655965.db2.gz YPVWCUIJXCGDKM-UHFFFAOYSA-N -1 0 317.309 -0.311 20 0 DBADRM CC[C@@H](C)CC(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415154297 1002706198 /nfs/dbraw/zinc/70/61/98/1002706198.db2.gz TXUNTJQBGAZCGF-SFYZADRCSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)NCCc1nnc2n1CCNC2=O ZINC001592388236 1016660253 /nfs/dbraw/zinc/66/02/53/1016660253.db2.gz OKRNHVDCNHGJTO-MRVPVSSYSA-N -1 0 309.326 -0.819 20 0 DBADRM Cc1nc(NCCCc2n[nH]c(=O)[n-]2)cc(-c2nn[nH]n2)n1 ZINC001592390460 1016660630 /nfs/dbraw/zinc/66/06/30/1016660630.db2.gz OETHNPNYASLBCF-UHFFFAOYSA-N -1 0 302.302 -0.166 20 0 DBADRM Cc1noc([C@@H](C)NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001592457076 1016673126 /nfs/dbraw/zinc/67/31/26/1016673126.db2.gz UHDKGXPICPAKAQ-RITPCOANSA-N -1 0 318.301 -0.412 20 0 DBADRM C[C@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)NC(=O)C1CC1 ZINC001415195594 1002735054 /nfs/dbraw/zinc/73/50/54/1002735054.db2.gz FHUDVPYIXRZHLY-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM CCn1ccnc1C(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597915028 1017214922 /nfs/dbraw/zinc/21/49/22/1017214922.db2.gz OIHMEVZFPORDNR-UWVGGRQHSA-N -1 0 306.322 -0.436 20 0 DBADRM Cc1nnccc1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592451003 1016667561 /nfs/dbraw/zinc/66/75/61/1016667561.db2.gz MXFHNOXJLRPWKI-UHFFFAOYSA-N -1 0 315.301 -0.622 20 0 DBADRM NC(=O)CCCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001436700445 1002758716 /nfs/dbraw/zinc/75/87/16/1002758716.db2.gz UGPNLNLRURQCHV-VIFPVBQESA-N -1 0 310.358 -0.754 20 0 DBADRM Cc1nn(CCO[C@H]2CCOC2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592436825 1016668876 /nfs/dbraw/zinc/66/88/76/1016668876.db2.gz BGXJMFTWHQCCGN-JTQLQIEISA-N -1 0 306.326 -0.154 20 0 DBADRM Cc1nnc(CN(C)C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)o1 ZINC001592442705 1016669033 /nfs/dbraw/zinc/66/90/33/1016669033.db2.gz WUOYJSZFVPRSBM-LURJTMIESA-N -1 0 318.301 -0.631 20 0 DBADRM CSCCC(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415234759 1002766173 /nfs/dbraw/zinc/76/61/73/1002766173.db2.gz ZWOMOSYIVGKZTO-SSDOTTSWSA-N -1 0 317.371 -0.937 20 0 DBADRM Cc1nn(CC(=O)N(C)CC2CC2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592436138 1016669298 /nfs/dbraw/zinc/66/92/98/1016669298.db2.gz RJQXGBYXZPILPP-UHFFFAOYSA-N -1 0 317.353 -0.091 20 0 DBADRM CSCC[C@H](NC(=O)Nc1cnn(C)c(=O)c1)c1nnn[n-]1 ZINC001426344541 1002767182 /nfs/dbraw/zinc/76/71/82/1002767182.db2.gz OPTUQPXHQOUUMI-QMMMGPOBSA-N -1 0 324.370 -0.091 20 0 DBADRM COCCC(=O)N[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001436720800 1002772792 /nfs/dbraw/zinc/77/27/92/1002772792.db2.gz MXOGOZAUODMCTB-NSHDSACASA-N -1 0 319.365 -0.250 20 0 DBADRM C[C@H](C[C@H](C)NC(=O)c1cnon1)Nc1ccnc(C(=O)[O-])n1 ZINC001592454628 1016672705 /nfs/dbraw/zinc/67/27/05/1016672705.db2.gz YCKBNFMAQBNXGS-SFYZADRCSA-N -1 0 320.309 -0.011 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H](C)CC(N)=O ZINC001592453281 1016672990 /nfs/dbraw/zinc/67/29/90/1016672990.db2.gz TTZOZIICMQRKOK-YUMQZZPRSA-N -1 0 309.326 -0.975 20 0 DBADRM Cc1nonc1[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001592467216 1016674330 /nfs/dbraw/zinc/67/43/30/1016674330.db2.gz CIHYXYYGQASEQH-UHFFFAOYSA-N -1 0 308.283 -0.246 20 0 DBADRM C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001592463719 1016675209 /nfs/dbraw/zinc/67/52/09/1016675209.db2.gz HYAUICMSPBSCHV-IUCAKERBSA-N -1 0 324.337 -0.012 20 0 DBADRM CCC(=O)NCC1(CCNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001426441423 1002801801 /nfs/dbraw/zinc/80/18/01/1002801801.db2.gz UIOGOTVECGVSPA-UHFFFAOYSA-N -1 0 309.326 -0.291 20 0 DBADRM C[C@H](CCNC(=O)C1=CCCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415375779 1002819594 /nfs/dbraw/zinc/81/95/94/1002819594.db2.gz PDWSWFHNBAOVKA-SECBINFHSA-N -1 0 323.353 -0.189 20 0 DBADRM C[C@@](CCF)(NC(=O)CNC(=O)c1ncccc1O)C(=O)[O-] ZINC001592495133 1016678503 /nfs/dbraw/zinc/67/85/03/1016678503.db2.gz HKQAJQARIYPGIY-ZDUSSCGKSA-N -1 0 313.285 -0.164 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@@H](C)NC(=O)Cn2cccn2)c1[O-] ZINC001415380837 1002822020 /nfs/dbraw/zinc/82/20/20/1002822020.db2.gz JLLAFSTUVVKWDZ-SECBINFHSA-N -1 0 320.353 -0.055 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC1(C)C ZINC001415412008 1002829158 /nfs/dbraw/zinc/82/91/58/1002829158.db2.gz ISRYUHKTIXKHMJ-SFYZADRCSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@H](CCNC(=O)[C@H]1COCCO1)Nc1ncc(C(=O)[O-])cn1 ZINC001592512661 1016681725 /nfs/dbraw/zinc/68/17/25/1016681725.db2.gz BCHKLTBOHTTXHU-MWLCHTKSSA-N -1 0 324.337 -0.103 20 0 DBADRM C[C@H](CCNC(=O)[C@H](C)CC(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001592512942 1016681789 /nfs/dbraw/zinc/68/17/89/1016681789.db2.gz KFIIGBHLHPPYRL-RKDXNWHRSA-N -1 0 323.353 -0.585 20 0 DBADRM C[C@@H](CCNC(=O)Cn1cccc(C(=O)[O-])c1=O)[S@@](C)=O ZINC001592512905 1016682430 /nfs/dbraw/zinc/68/24/30/1016682430.db2.gz JCZQZCZRVMJORR-JLTPVHFHSA-N -1 0 314.363 -0.180 20 0 DBADRM Cc1ocnc1CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001592514875 1016682919 /nfs/dbraw/zinc/68/29/19/1016682919.db2.gz KYLGMWRKDSDMQT-LURJTMIESA-N -1 0 303.286 -0.368 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)c1cnnn1C ZINC001592530985 1016685327 /nfs/dbraw/zinc/68/53/27/1016685327.db2.gz PGUWQPRAVLAGRC-QMMMGPOBSA-N -1 0 319.325 -0.654 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001592530870 1016686205 /nfs/dbraw/zinc/68/62/05/1016686205.db2.gz MAXPIEJBTCCBCY-BDAKNGLRSA-N -1 0 321.337 -0.818 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)C1(C(N)=O)CC1 ZINC001592530644 1016686549 /nfs/dbraw/zinc/68/65/49/1016686549.db2.gz KWRNCTBXSQFHDQ-MRVPVSSYSA-N -1 0 321.337 -0.831 20 0 DBADRM CC[C@H](F)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415565847 1002882928 /nfs/dbraw/zinc/88/29/28/1002882928.db2.gz VQXPQSVGWIMJFF-LURJTMIESA-N -1 0 301.278 -0.781 20 0 DBADRM Cn1c(=O)[nH]c(Oc2cccc(C=O)c2)c(-c2nnn[n-]2)c1=O ZINC001592544951 1016687930 /nfs/dbraw/zinc/68/79/30/1016687930.db2.gz FLYDEVDLNGCHEM-UHFFFAOYSA-N -1 0 314.261 -0.142 20 0 DBADRM CCCCC(=O)N(C)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001426759628 1002884981 /nfs/dbraw/zinc/88/49/81/1002884981.db2.gz CFSPWPKRLKHFFD-SECBINFHSA-N -1 0 313.358 -0.157 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@@H]1CC12CC2 ZINC001415570078 1002885096 /nfs/dbraw/zinc/88/50/96/1002885096.db2.gz LWLOUJDQRSMJFO-QMMMGPOBSA-N -1 0 309.326 -0.936 20 0 DBADRM Cn1c(=O)[nH]c(NCc2cnccn2)c(-c2nnn[n-]2)c1=O ZINC001592544987 1016687984 /nfs/dbraw/zinc/68/79/84/1016687984.db2.gz HEJMRJBWIJDFBI-UHFFFAOYSA-N -1 0 301.270 -0.932 20 0 DBADRM Cc1cnc(CN[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001437251173 1002892327 /nfs/dbraw/zinc/89/23/27/1002892327.db2.gz QNFLLSCRVPJWOQ-ZETCQYMHSA-N -1 0 310.314 -0.720 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)c1ncn(C)n1 ZINC001592531202 1016689381 /nfs/dbraw/zinc/68/93/81/1016689381.db2.gz UVPXNCPCHAUGFC-MRVPVSSYSA-N -1 0 319.325 -0.654 20 0 DBADRM Cn1c(=O)[nH]c(NC2CCSCC2)c(-c2nnn[n-]2)c1=O ZINC001592545667 1016689663 /nfs/dbraw/zinc/68/96/63/1016689663.db2.gz IXGHRYHYUWKOLP-UHFFFAOYSA-N -1 0 309.355 -0.027 20 0 DBADRM Cn1c(=O)[nH]c(N2CCC[C@@H]2C2CC2)c(-c2nnn[n-]2)c1=O ZINC001592543239 1016690497 /nfs/dbraw/zinc/69/04/97/1016690497.db2.gz HSIIWQHKCMEWPN-MRVPVSSYSA-N -1 0 303.326 -0.368 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H]2CCC[C@@H]2CCO)c(-c2nnn[n-]2)c1=O ZINC001592546913 1016691969 /nfs/dbraw/zinc/69/19/69/1016691969.db2.gz VZKZNHFLIOSBIN-SFYZADRCSA-N -1 0 321.341 -0.371 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC3(C2)CCCC3)n(C)c1=O ZINC001592553103 1016692136 /nfs/dbraw/zinc/69/21/36/1016692136.db2.gz BAJVFWPAMPJBDP-UHFFFAOYSA-N -1 0 317.353 -0.356 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@@H]2C(F)F)n(C)c1=O ZINC001592553709 1016694000 /nfs/dbraw/zinc/69/40/00/1016694000.db2.gz WQMCZJWRIURJOR-RXMQYKEDSA-N -1 0 313.268 -0.892 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(Sc2ncco2)n(C)c1=O ZINC001592557069 1016695497 /nfs/dbraw/zinc/69/54/97/1016695497.db2.gz NXGHGAGAIMFKSL-UHFFFAOYSA-N -1 0 307.295 -0.597 20 0 DBADRM Cn1c(Cl)cnc1Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC001592553968 1016696985 /nfs/dbraw/zinc/69/69/85/1016696985.db2.gz MJIVJMHYXWRPRS-UHFFFAOYSA-N -1 0 322.716 -0.838 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCc2ccccn2)n(C)c1=O ZINC001592555436 1016697049 /nfs/dbraw/zinc/69/70/49/1016697049.db2.gz JYVNZFHMMYCTDM-UHFFFAOYSA-N -1 0 314.309 -0.729 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2C[C@@]23CCOC3)c1=O ZINC001592557674 1016698078 /nfs/dbraw/zinc/69/80/78/1016698078.db2.gz CFECUXCYVGOFFL-ISVAXAHUSA-N -1 0 304.310 -0.846 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@H]1C[C@@H]1C ZINC001415701021 1002962677 /nfs/dbraw/zinc/96/26/77/1002962677.db2.gz FNFPQVQUUAAJNH-YUMQZZPRSA-N -1 0 309.326 -0.483 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N(C)C[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001592563674 1016701614 /nfs/dbraw/zinc/70/16/14/1016701614.db2.gz BUTGPUQQFIFBJZ-BDAKNGLRSA-N -1 0 323.353 -0.633 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C(C)(F)F ZINC001415702719 1002969551 /nfs/dbraw/zinc/96/95/51/1002969551.db2.gz QFZIGTQFSSTCHK-UHFFFAOYSA-N -1 0 319.268 -0.484 20 0 DBADRM CO[C@@H](C)C(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001437437476 1002993282 /nfs/dbraw/zinc/99/32/82/1002993282.db2.gz XMFZVSHDFDGGIM-JTQLQIEISA-N -1 0 307.354 -0.395 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C2CCC2)C1 ZINC001427061173 1003007284 /nfs/dbraw/zinc/00/72/84/1003007284.db2.gz VDMSJKXZDPDWJP-MRVPVSSYSA-N -1 0 323.353 -0.548 20 0 DBADRM Cn1cnc2ccc(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)cc21 ZINC001592587979 1016709239 /nfs/dbraw/zinc/70/92/39/1016709239.db2.gz CKPGDMJJAOCFNK-UHFFFAOYSA-N -1 0 324.308 -0.016 20 0 DBADRM C[C@H](CN(C)C(=O)c1cccnn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592580032 1016709528 /nfs/dbraw/zinc/70/95/28/1016709528.db2.gz YUQGMBFSYROCGL-SECBINFHSA-N -1 0 316.321 -0.041 20 0 DBADRM COc1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)sn1 ZINC001415828531 1003023807 /nfs/dbraw/zinc/02/38/07/1003023807.db2.gz DEZNKPOEVOXCCH-UHFFFAOYSA-N -1 0 324.366 -0.067 20 0 DBADRM Cc1nc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)cs1 ZINC001437485238 1003027286 /nfs/dbraw/zinc/02/72/86/1003027286.db2.gz YFBRUMAUUQAPOY-UHFFFAOYSA-N -1 0 324.366 -0.090 20 0 DBADRM CCCN(C(C)=O)[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001415909963 1003042779 /nfs/dbraw/zinc/04/27/79/1003042779.db2.gz ZERUKFVCINBEGF-NSHDSACASA-N -1 0 322.365 -0.041 20 0 DBADRM C[C@@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)c1cnon1 ZINC001592593070 1016714441 /nfs/dbraw/zinc/71/44/41/1016714441.db2.gz CJSNJJXUHNONNB-ZETCQYMHSA-N -1 0 306.282 -0.188 20 0 DBADRM C[C@@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1CCC(=O)N1 ZINC001592589060 1016715594 /nfs/dbraw/zinc/71/55/94/1016715594.db2.gz UVGHTTQAESLGQY-DTWKUNHWSA-N -1 0 321.337 -0.606 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])[C@H](C)C(=O)N(C)C ZINC001437589881 1003080615 /nfs/dbraw/zinc/08/06/15/1003080615.db2.gz RLAMOLPLZMECOJ-SNVBAGLBSA-N -1 0 311.386 -0.048 20 0 DBADRM CCC(=O)NCC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001427338800 1003086690 /nfs/dbraw/zinc/08/66/90/1003086690.db2.gz PKEARAVSPVEAAN-SECBINFHSA-N -1 0 313.358 -0.254 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001592606808 1016722819 /nfs/dbraw/zinc/72/28/19/1016722819.db2.gz KYVZWJQLQWYVIV-UHFFFAOYSA-N -1 0 323.294 -0.688 20 0 DBADRM C[C@@H](CN(c1nnnn1CCN1CCOCC1)C1CC1)C(=O)[O-] ZINC001592609798 1016725830 /nfs/dbraw/zinc/72/58/30/1016725830.db2.gz OHGCNKRGKQJQJS-NSHDSACASA-N -1 0 324.385 -0.305 20 0 DBADRM C[C@H](CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1)CS(C)(=O)=O ZINC001592610156 1016727792 /nfs/dbraw/zinc/72/77/92/1016727792.db2.gz DOWHUQYNVCNVOY-ZJUUUORDSA-N -1 0 316.383 -0.096 20 0 DBADRM C[C@@H](CN1CCCC1=O)NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001592617265 1016730772 /nfs/dbraw/zinc/73/07/72/1016730772.db2.gz OUEUGQDCQYHLEK-DCAQKATOSA-N -1 0 313.354 -0.119 20 0 DBADRM CC[C@H](C)C(=O)N(C)C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001427477414 1003144668 /nfs/dbraw/zinc/14/46/68/1003144668.db2.gz WDMWNQSRQXZLNA-DTWKUNHWSA-N -1 0 313.358 -0.302 20 0 DBADRM C[C@@H](CN1CCOCC1)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001592623765 1016730078 /nfs/dbraw/zinc/73/00/78/1016730078.db2.gz DRNGIBVMVXCVMG-TUAOUCFPSA-N -1 0 320.411 -0.120 20 0 DBADRM CC[C@H](C)C(=O)N(C)C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001427477415 1003145522 /nfs/dbraw/zinc/14/55/22/1003145522.db2.gz WDMWNQSRQXZLNA-IUCAKERBSA-N -1 0 313.358 -0.302 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001592624472 1016730225 /nfs/dbraw/zinc/73/02/25/1016730225.db2.gz PEKWYAYEYLYRPM-QJPTWQEYSA-N -1 0 315.370 -0.504 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001437712369 1003165111 /nfs/dbraw/zinc/16/51/11/1003165111.db2.gz NMGQLNGJBRUTJR-VHSXEESVSA-N -1 0 324.385 -0.637 20 0 DBADRM FC(F)(F)Cn1nnnc1Cn1cc(-c2nnn[n-]2)nn1 ZINC001592616681 1016731251 /nfs/dbraw/zinc/73/12/51/1016731251.db2.gz WZHWZNXYFMKYTO-UHFFFAOYSA-N -1 0 301.196 -0.945 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)CNc1ncc(C(=O)[O-])cn1 ZINC001592647244 1016732985 /nfs/dbraw/zinc/73/29/85/1016732985.db2.gz CCNRNVGNNJXIGG-APPZFPTMSA-N -1 0 322.325 -0.980 20 0 DBADRM CC(=O)N1CCC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001427538133 1003186577 /nfs/dbraw/zinc/18/65/77/1003186577.db2.gz PGNBCFZRMGRRGK-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM C[C@](CNC(=O)[C@@H](CO)NC(N)=O)(C(=O)[O-])c1ccccc1 ZINC001592636450 1016734591 /nfs/dbraw/zinc/73/45/91/1016734591.db2.gz WEWXJJAZSRCWPE-QMTHXVAHSA-N -1 0 309.322 -0.826 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)Nc1ncc(C(=O)[O-])cn1 ZINC001592648112 1016734991 /nfs/dbraw/zinc/73/49/91/1016734991.db2.gz YXLJKZLXIKFKCT-BDAKNGLRSA-N -1 0 321.337 -0.430 20 0 DBADRM CCCN(CCNC(=O)Cn1cncn1)Cc1n[nH]c(=O)[n-]1 ZINC001437768205 1003201626 /nfs/dbraw/zinc/20/16/26/1003201626.db2.gz WMFPFKUFQKZRDJ-UHFFFAOYSA-N -1 0 308.346 -0.870 20 0 DBADRM CCCN(CCNC(=O)c1ccn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001437770440 1003202427 /nfs/dbraw/zinc/20/24/27/1003202427.db2.gz WDULCIAPZXJGMC-UHFFFAOYSA-N -1 0 307.358 -0.114 20 0 DBADRM CCCN(CCNC(=O)Cc1cncn1C)Cc1n[nH]c(=O)[n-]1 ZINC001437766853 1003205959 /nfs/dbraw/zinc/20/59/59/1003205959.db2.gz SWGUPGUBTTVTDN-UHFFFAOYSA-N -1 0 321.385 -0.185 20 0 DBADRM Cn1cc(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)[nH]c1=O ZINC001437807555 1003236514 /nfs/dbraw/zinc/23/65/14/1003236514.db2.gz JBHXZKPDCWWZEF-UHFFFAOYSA-N -1 0 321.341 -0.656 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1ccnc(C(=O)[O-])n1 ZINC001592688562 1016746370 /nfs/dbraw/zinc/74/63/70/1016746370.db2.gz DRPXKWALSDZCGQ-RKDXNWHRSA-N -1 0 321.337 -0.866 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)C1=COCCO1 ZINC001416208154 1003250624 /nfs/dbraw/zinc/25/06/24/1003250624.db2.gz ZWQDWJJKSSSYMD-VIFPVBQESA-N -1 0 324.337 -0.063 20 0 DBADRM C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CNc1ccnc(C(=O)[O-])n1 ZINC001592688857 1016748433 /nfs/dbraw/zinc/74/84/33/1016748433.db2.gz PXQOTYLLIPLVSP-UXCLJVHYSA-N -1 0 320.349 -0.347 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1ncc(C(=O)[O-])cn1 ZINC001592688667 1016748702 /nfs/dbraw/zinc/74/87/02/1016748702.db2.gz IUEBBEFVDCCQTL-WPRPVWTQSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@H](CNC(=O)c1cn[nH]n1)N(C)c1ncc(C(=O)[O-])cn1 ZINC001592692512 1016748826 /nfs/dbraw/zinc/74/88/26/1016748826.db2.gz OMRRZTUDTQEFRB-SSDOTTSWSA-N -1 0 305.298 -0.452 20 0 DBADRM CC[C@H](CNC(=O)C1(C)CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001416236334 1003272246 /nfs/dbraw/zinc/27/22/46/1003272246.db2.gz WKQKDYBWZONMIQ-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM CCCN(C(=O)c1cn[nH]n1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001437893462 1003276432 /nfs/dbraw/zinc/27/64/32/1003276432.db2.gz PNWGRILZRHAZOT-VIFPVBQESA-N -1 0 320.357 -0.245 20 0 DBADRM C[C@H](CNC(=O)c1cnon1)N(C)c1ccnc(C(=O)[O-])n1 ZINC001592706704 1016750991 /nfs/dbraw/zinc/75/09/91/1016750991.db2.gz VSQGWZNOTSDASS-SSDOTTSWSA-N -1 0 306.282 -0.188 20 0 DBADRM C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)Nc1ccnc(C(=O)[O-])n1 ZINC001592702213 1016752425 /nfs/dbraw/zinc/75/24/25/1016752425.db2.gz WRWPAYRQSCMENE-SSDOTTSWSA-N -1 0 320.309 -0.734 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)C(C)(C)F ZINC001416420863 1003322607 /nfs/dbraw/zinc/32/26/07/1003322607.db2.gz YFHZMIOFJGAOIO-LURJTMIESA-N -1 0 315.305 -0.487 20 0 DBADRM COCCC(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001438033156 1003324521 /nfs/dbraw/zinc/32/45/21/1003324521.db2.gz XRWIVXOEDYKZQP-UHFFFAOYSA-N -1 0 305.338 -0.641 20 0 DBADRM Cc1cc(C)n(CCC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001438067842 1003338861 /nfs/dbraw/zinc/33/88/61/1003338861.db2.gz RYZONWVTSOKWKV-UHFFFAOYSA-N -1 0 319.369 -0.286 20 0 DBADRM C[C@H](CNC(=O)c1ncn(C)n1)N(C)c1ncc(C(=O)[O-])cn1 ZINC001592705242 1016753636 /nfs/dbraw/zinc/75/36/36/1016753636.db2.gz CEDZWUHJRIKYRD-MRVPVSSYSA-N -1 0 319.325 -0.442 20 0 DBADRM Cn1cncc1CCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438092638 1003346489 /nfs/dbraw/zinc/34/64/89/1003346489.db2.gz ZTAPRVBUTHURIA-UHFFFAOYSA-N -1 0 305.342 -0.823 20 0 DBADRM CN(CCN(C)C(=O)C(C)(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001416628510 1003363517 /nfs/dbraw/zinc/36/35/17/1003363517.db2.gz XVGXCIRKPQQIKY-UHFFFAOYSA-N -1 0 319.268 -0.532 20 0 DBADRM CC(C)n1nccc1C(=O)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001427831115 1003390204 /nfs/dbraw/zinc/39/02/04/1003390204.db2.gz QKDNFHGTCOOYKB-SECBINFHSA-N -1 0 321.341 -0.897 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)c2ccccc2)c1[O-] ZINC001427891505 1003429139 /nfs/dbraw/zinc/42/91/39/1003429139.db2.gz LLBONAGBWNAXFK-NSHDSACASA-N -1 0 318.333 -0.056 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)C2CC(C)C2)c1[O-] ZINC001427903041 1003436743 /nfs/dbraw/zinc/43/67/43/1003436743.db2.gz OQXJMFCFPVORJT-YXGXMSFMSA-N -1 0 310.354 -0.323 20 0 DBADRM NC(=O)CN1CCC(NC(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001592727859 1016771410 /nfs/dbraw/zinc/77/14/10/1016771410.db2.gz DNQUJHKYYQGBFL-UHFFFAOYSA-N -1 0 319.325 -0.861 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)Cc1cnc[nH]1 ZINC001592729243 1016771811 /nfs/dbraw/zinc/77/18/11/1016771811.db2.gz JJIUMSMGEFKUPA-VIFPVBQESA-N -1 0 318.337 -0.179 20 0 DBADRM CC(CO)(CO)C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001592729451 1016772557 /nfs/dbraw/zinc/77/25/57/1016772557.db2.gz PRBYZUCDYBFLGD-UHFFFAOYSA-N -1 0 317.338 -0.576 20 0 DBADRM Cc1cc(C(=O)NCCN(C)C(=O)c2n[nH]c(C)c2[O-])[nH]n1 ZINC001495885104 1016772654 /nfs/dbraw/zinc/77/26/54/1016772654.db2.gz UEXHZBZMKBSAJY-UHFFFAOYSA-N -1 0 306.326 -0.043 20 0 DBADRM NC(=O)CO[N-]C(=O)C1(c2cc(F)cc(-c3nn[nH]n3)c2)CC1 ZINC001592727328 1016773315 /nfs/dbraw/zinc/77/33/15/1016773315.db2.gz AATRGPMRBAIBCK-UHFFFAOYSA-N -1 0 320.284 -0.430 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1ncn(C)n1 ZINC001592730603 1016774510 /nfs/dbraw/zinc/77/45/10/1016774510.db2.gz WMKPSNYCTSMFND-MRVPVSSYSA-N -1 0 319.325 -0.702 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)N(C)C(=O)CCNC(N)=O ZINC001592730746 1016775490 /nfs/dbraw/zinc/77/54/90/1016775490.db2.gz ZIFCLPBQNZIDIR-QMMMGPOBSA-N -1 0 324.341 -0.508 20 0 DBADRM NC(=O)c1ccccc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001592737675 1016780752 /nfs/dbraw/zinc/78/07/52/1016780752.db2.gz MVBZIZVSVYNRKV-UHFFFAOYSA-N -1 0 313.281 -0.804 20 0 DBADRM CC/C=C(\C)C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001495888627 1016776147 /nfs/dbraw/zinc/77/61/47/1016776147.db2.gz ASUQTFNHROPREN-WEVVVXLNSA-N -1 0 311.342 -0.380 20 0 DBADRM CCC(CC)C(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001416791426 1003523838 /nfs/dbraw/zinc/52/38/38/1003523838.db2.gz NPZGXNRIWCJODT-MRVPVSSYSA-N -1 0 313.358 -0.254 20 0 DBADRM C[C@@](CO)(NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2O)C(=O)[O-] ZINC001592743051 1016784147 /nfs/dbraw/zinc/78/41/47/1016784147.db2.gz AIIONXWFCIPYQE-HZMBPMFUSA-N -1 0 310.306 -0.278 20 0 DBADRM C[C@@](CO)(NC(=O)CCn1cnc2ccccc2c1=O)C(=O)[O-] ZINC001592742542 1016785231 /nfs/dbraw/zinc/78/52/31/1016785231.db2.gz PKAQWTQDOPDYMO-HNNXBMFYSA-N -1 0 319.317 -0.262 20 0 DBADRM CC(C)(C)C(=O)NC[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001428006008 1003546955 /nfs/dbraw/zinc/54/69/55/1003546955.db2.gz QDYPGYHTWUAZPF-MRVPVSSYSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@](CO)(NC(=O)c1ccc(S(N)(=O)=O)cc1F)C(=O)[O-] ZINC001592745439 1016787452 /nfs/dbraw/zinc/78/74/52/1016787452.db2.gz UMZUNFHENCYPQV-LLVKDONJSA-N -1 0 320.298 -0.962 20 0 DBADRM NS(=O)(=O)CCCOC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592746471 1016787661 /nfs/dbraw/zinc/78/76/61/1016787661.db2.gz GJRRNEYAEIMCTH-UHFFFAOYSA-N -1 0 301.284 -0.705 20 0 DBADRM C[C@](CO)(NC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC001592744399 1016787772 /nfs/dbraw/zinc/78/77/72/1016787772.db2.gz YNHWWSNLFAUMMS-OAHLLOKOSA-N -1 0 320.301 -0.376 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccn(CCF)n1 ZINC001438631503 1003551181 /nfs/dbraw/zinc/55/11/81/1003551181.db2.gz GFIAWOLGNUIUPD-UHFFFAOYSA-N -1 0 305.273 -0.124 20 0 DBADRM C[C@@](CO)(NC(=O)c1ccc2c(c1)C(=O)NCCO2)C(=O)[O-] ZINC001592745798 1016788678 /nfs/dbraw/zinc/78/86/78/1016788678.db2.gz VIDACJVLQOOOMV-AWEZNQCLSA-N -1 0 308.290 -0.626 20 0 DBADRM C[C@](CO)(NC(=O)C[C@@H](NC(N)=O)c1ccccc1)C(=O)[O-] ZINC001592744085 1016789244 /nfs/dbraw/zinc/78/92/44/1016789244.db2.gz YIFXESALBJHXMJ-QMTHXVAHSA-N -1 0 309.322 -0.262 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001416831872 1003571199 /nfs/dbraw/zinc/57/11/99/1003571199.db2.gz ZZHHQRMDOJYUHG-IWSPIJDZSA-N -1 0 323.353 -0.508 20 0 DBADRM C[C@@](CO)(NCC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC001592750184 1016793169 /nfs/dbraw/zinc/79/31/69/1016793169.db2.gz OBDYVOKPOUVGFZ-AWEZNQCLSA-N -1 0 310.306 -0.179 20 0 DBADRM C[C@H](CO)CCCNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001592758569 1016795208 /nfs/dbraw/zinc/79/52/08/1016795208.db2.gz SHNAVRXDJBQLLK-QWRGUYRKSA-N -1 0 316.354 -0.787 20 0 DBADRM C[C@H](CO)CCCNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001592758570 1016795482 /nfs/dbraw/zinc/79/54/82/1016795482.db2.gz SHNAVRXDJBQLLK-WDEREUQCSA-N -1 0 316.354 -0.787 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCO[C@@]2(CCCOC2)C1)C(=O)[O-] ZINC001592799497 1016804532 /nfs/dbraw/zinc/80/45/32/1016804532.db2.gz DNCILOXRTZBSNR-JQWIXIFHSA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@@H](CNC(=O)c1c[n-]n2c1nccc2=O)NC(=O)C1CC1 ZINC001416864056 1003600118 /nfs/dbraw/zinc/60/01/18/1003600118.db2.gz HQDQCCLXOUQQQP-QMMMGPOBSA-N -1 0 303.322 -0.333 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1ccnn1C1CCC1)C(=O)[O-] ZINC001592755308 1016798721 /nfs/dbraw/zinc/79/87/21/1016798721.db2.gz DIBSFXYURWWISR-NSHDSACASA-N -1 0 303.340 -0.278 20 0 DBADRM C[C@H](CO)C1CCN(C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001592755266 1016799141 /nfs/dbraw/zinc/79/91/41/1016799141.db2.gz CLNHPOYTBYJQEU-YUSALJHKSA-N -1 0 312.366 -0.310 20 0 DBADRM C[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001592762137 1016801619 /nfs/dbraw/zinc/80/16/19/1016801619.db2.gz NUYGHNBIAHPCRD-YFKPBYRVSA-N -1 0 301.686 -0.131 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)C(=O)[O-] ZINC001592807175 1016804778 /nfs/dbraw/zinc/80/47/78/1016804778.db2.gz LCIUBVULGAMUSB-BBBLOLIVSA-N -1 0 311.400 -0.216 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)C(=O)[O-] ZINC001592798263 1016802239 /nfs/dbraw/zinc/80/22/39/1016802239.db2.gz NCSVLPVFGMIUGX-PSASIEDQSA-N -1 0 319.383 -0.427 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC(c2nnnn2C)CC1)C(=O)[O-] ZINC001592797215 1016802401 /nfs/dbraw/zinc/80/24/01/1016802401.db2.gz AHZZTZQIWOVBEU-MRVPVSSYSA-N -1 0 317.371 -0.560 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC[C@@H](C(=O)N2CCCC2)C1)C(=O)[O-] ZINC001592789110 1016802467 /nfs/dbraw/zinc/80/24/67/1016802467.db2.gz DLEMGDYHQGVPKX-WDEREUQCSA-N -1 0 318.395 -0.019 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@H](C)N(CCO)C[C@H]1C)C(=O)[O-] ZINC001592789302 1016802834 /nfs/dbraw/zinc/80/28/34/1016802834.db2.gz DREARHNHLMOBBL-OUAUKWLOSA-N -1 0 308.400 -0.576 20 0 DBADRM O=C(C=Cc1ccccc1-c1nn[nH]n1)NCc1nc(=O)o[n-]1 ZINC001592796539 1016803019 /nfs/dbraw/zinc/80/30/19/1016803019.db2.gz OWDMRJDZJWFNPI-AATRIKPKSA-N -1 0 313.277 -0.127 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1CCCn2nccc21 ZINC001438783691 1003640679 /nfs/dbraw/zinc/64/06/79/1003640679.db2.gz XBBAWWUHGLWEMR-JTQLQIEISA-N -1 0 313.321 -0.081 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)C(=O)[O-] ZINC001592807178 1016804786 /nfs/dbraw/zinc/80/47/86/1016804786.db2.gz LCIUBVULGAMUSB-UTLUCORTSA-N -1 0 311.400 -0.216 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CCCn2nccc21 ZINC001438783697 1003645627 /nfs/dbraw/zinc/64/56/27/1003645627.db2.gz XBBAWWUHGLWEMR-SNVBAGLBSA-N -1 0 313.321 -0.081 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)C(=O)[O-] ZINC001592800078 1016804407 /nfs/dbraw/zinc/80/44/07/1016804407.db2.gz IPWSCIPMAHMLBJ-MNOVXSKESA-N -1 0 322.427 -0.186 20 0 DBADRM C[C@@H](CS(=O)(=O)NCCCNc1ncccn1)C(=O)[O-] ZINC001592808940 1016805399 /nfs/dbraw/zinc/80/53/99/1016805399.db2.gz NMYIMTMVGUZSMJ-VIFPVBQESA-N -1 0 302.356 -0.081 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@H](C[NH+]1CCCCC1)C(=O)[O-])C(=O)[O-] ZINC001592809829 1016805476 /nfs/dbraw/zinc/80/54/76/1016805476.db2.gz ZBHODSDJTZVPHW-NXEZZACHSA-N -1 0 322.383 -0.434 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001592814406 1016805575 /nfs/dbraw/zinc/80/55/75/1016805575.db2.gz QWSPIKLNOHYUQE-SSDOTTSWSA-N -1 0 316.339 -0.960 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001592813527 1016805688 /nfs/dbraw/zinc/80/56/88/1016805688.db2.gz BGMIVNOYAUBKHK-JTQLQIEISA-N -1 0 320.411 -0.326 20 0 DBADRM C[C@H](CS(C)(=O)=O)N1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001592815910 1016805816 /nfs/dbraw/zinc/80/58/16/1016805816.db2.gz KTOFIVUJVSFDPX-IWSPIJDZSA-N -1 0 318.351 -0.453 20 0 DBADRM O=C(C[C@@H]1C=CCC1)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001592810614 1016806164 /nfs/dbraw/zinc/80/61/64/1016806164.db2.gz UMVXCOMKPLJDPU-SNVBAGLBSA-N -1 0 314.353 -0.037 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001592813777 1016806286 /nfs/dbraw/zinc/80/62/86/1016806286.db2.gz GQZZBJLKRCCISH-UTLUCORTSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@H](CS(=O)(=O)NCCCNc1ncccn1)C(=O)[O-] ZINC001592808938 1016806520 /nfs/dbraw/zinc/80/65/20/1016806520.db2.gz NMYIMTMVGUZSMJ-SECBINFHSA-N -1 0 302.356 -0.081 20 0 DBADRM O=C(CCc1nnn[n-]1)N1Cc2cccc(-c3nn[nH]n3)c2C1 ZINC001592857361 1016807141 /nfs/dbraw/zinc/80/71/41/1016807141.db2.gz DPQIKKUCNYGSPU-UHFFFAOYSA-N -1 0 311.309 -0.145 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001592816351 1016807203 /nfs/dbraw/zinc/80/72/03/1016807203.db2.gz RMJSRCKHRZCLPT-CIUDSAMLSA-N -1 0 308.356 -0.697 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001592822324 1016807971 /nfs/dbraw/zinc/80/79/71/1016807971.db2.gz KMCJBHWOXPYUKZ-SGWXMTNESA-N -1 0 315.351 -0.455 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)CCc1cn(CC(=O)[O-])nn1 ZINC001592816260 1016808132 /nfs/dbraw/zinc/80/81/32/1016808132.db2.gz QMAHVNKKCSPBRF-SECBINFHSA-N -1 0 304.372 -0.730 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001592822287 1016808371 /nfs/dbraw/zinc/80/83/71/1016808371.db2.gz JUKOCHGBOIVKGS-JDQBZHCWSA-N -1 0 304.368 -0.951 20 0 DBADRM O=C(CCCn1ccnc1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592841917 1016808486 /nfs/dbraw/zinc/80/84/86/1016808486.db2.gz PBMCXHPSUOSIKK-UHFFFAOYSA-N -1 0 316.329 -0.749 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)OCc1noc(CCC(=O)[O-])n1 ZINC001592816664 1016808956 /nfs/dbraw/zinc/80/89/56/1016808956.db2.gz YLCALBRNDNMEAS-ZETCQYMHSA-N -1 0 320.323 -0.189 20 0 DBADRM O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CC=CCC1 ZINC001592859538 1016810586 /nfs/dbraw/zinc/81/05/86/1016810586.db2.gz QJGRZGKHLVUPQJ-UHFFFAOYSA-N -1 0 317.309 -0.692 20 0 DBADRM CC(C)[C@@H](C)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001416923996 1003689381 /nfs/dbraw/zinc/68/93/81/1003689381.db2.gz ZINUUVUSOVMMJA-JGVFFNPUSA-N -1 0 311.342 -0.191 20 0 DBADRM O=C(CNc1nc(-c2nnn[n-]2)c(Cl)s1)NCCO ZINC001592878715 1016811563 /nfs/dbraw/zinc/81/15/63/1016811563.db2.gz OUUJAAFVGFSYNQ-UHFFFAOYSA-N -1 0 303.735 -0.503 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)Cc2ncc[nH]2)c1[O-] ZINC001416936653 1003700920 /nfs/dbraw/zinc/70/09/20/1003700920.db2.gz CHIRGBMDZHQQHX-ZETCQYMHSA-N -1 0 306.326 -0.376 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)[C@H]1CCCS1(=O)=O)C(=O)[O-] ZINC001592917722 1016814088 /nfs/dbraw/zinc/81/40/88/1016814088.db2.gz SIAHKDZFKJQQJN-SKDRFNHKSA-N -1 0 315.351 -0.580 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001592930358 1016816641 /nfs/dbraw/zinc/81/66/41/1016816641.db2.gz ADJNHYSZVDEZNU-RNCFNFMXSA-N -1 0 309.326 -0.894 20 0 DBADRM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001592909580 1016815382 /nfs/dbraw/zinc/81/53/82/1016815382.db2.gz ZSXWCSLHKZDIPC-KOLCDFICSA-N -1 0 311.338 -0.069 20 0 DBADRM CC(C)(F)C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001416981939 1003720463 /nfs/dbraw/zinc/72/04/63/1003720463.db2.gz AZOZGRWVJFACLM-SSDOTTSWSA-N -1 0 315.305 -0.846 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC[C@H]1CCCOC1 ZINC001592941340 1016821201 /nfs/dbraw/zinc/82/12/01/1016821201.db2.gz XILUGHMMCWYYOO-SECBINFHSA-N -1 0 306.330 -0.609 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCC[C@@H]1CCCCO1 ZINC001592940940 1016821299 /nfs/dbraw/zinc/82/12/99/1016821299.db2.gz KTYZFNBBCLVZAC-JTQLQIEISA-N -1 0 320.357 -0.076 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001592940796 1016821510 /nfs/dbraw/zinc/82/15/10/1016821510.db2.gz ZZCVPKPTHFQUKR-NXEZZACHSA-N -1 0 318.341 -0.514 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1Cc2ccc(O)cc2C1 ZINC001592940209 1016822074 /nfs/dbraw/zinc/82/20/74/1016822074.db2.gz SHXFGJQOXGSPKX-UHFFFAOYSA-N -1 0 312.293 -0.294 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1CCC[C@H](O)C1 ZINC001592940846 1016822323 /nfs/dbraw/zinc/82/23/23/1016822323.db2.gz DDJWNBIDMPJNEK-BDAKNGLRSA-N -1 0 306.330 -0.875 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)[C@H]1CCc2nncn2C1)C(=O)[O-] ZINC001592917930 1016816891 /nfs/dbraw/zinc/81/68/91/1016816891.db2.gz VWIVQSZQICQXDF-IINYFYTJSA-N -1 0 318.337 -0.303 20 0 DBADRM C[C@@](Cn1cccn1)(NCC(=O)Nc1ccncc1)C(=O)[O-] ZINC001592922599 1016817655 /nfs/dbraw/zinc/81/76/55/1016817655.db2.gz AUYYFZOFXCWUMD-AWEZNQCLSA-N -1 0 303.322 -0.228 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CC[C@H]1C1CC1 ZINC001592934413 1016818513 /nfs/dbraw/zinc/81/85/13/1016818513.db2.gz MLJZVBHTMZOWLL-VIFPVBQESA-N -1 0 317.309 -0.860 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CCCCC1 ZINC001592934746 1016818552 /nfs/dbraw/zinc/81/85/52/1016818552.db2.gz SVDGQNQJANTPTR-UHFFFAOYSA-N -1 0 305.298 -0.859 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC1([C@H]2CCCCO2)CC1 ZINC001592939863 1016818621 /nfs/dbraw/zinc/81/86/21/1016818621.db2.gz KYBRTCDHGYGGPK-SECBINFHSA-N -1 0 318.341 -0.324 20 0 DBADRM CNC(=O)CN(C)CCN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001438932610 1003768963 /nfs/dbraw/zinc/76/89/63/1003768963.db2.gz SCDAGIZFUNOPBX-UHFFFAOYSA-N -1 0 321.337 -0.322 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001592931550 1016819970 /nfs/dbraw/zinc/81/99/70/1016819970.db2.gz XINYRNKXQJLCMZ-MNOVXSKESA-N -1 0 324.337 -0.910 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H](c1ncon1)C1CC1 ZINC001592939425 1016820212 /nfs/dbraw/zinc/82/02/12/1016820212.db2.gz ARMAYQONCJCZAG-QMMMGPOBSA-N -1 0 316.285 -0.891 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@H]1[C@H]1CCCOC1 ZINC001592940797 1016820919 /nfs/dbraw/zinc/82/09/19/1016820919.db2.gz ZZCVPKPTHFQUKR-UWVGGRQHSA-N -1 0 318.341 -0.514 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)c1ccc(-c2nn[nH]n2)cn1 ZINC001592962256 1016826278 /nfs/dbraw/zinc/82/62/78/1016826278.db2.gz DVMNFTDEGSPPIA-UHFFFAOYSA-N -1 0 312.297 -0.416 20 0 DBADRM C[C@@H](NC(=O)C(=O)N(C)CCCO)c1ncc(C(=O)[O-])s1 ZINC001592967842 1016826501 /nfs/dbraw/zinc/82/65/01/1016826501.db2.gz HSZKVERRGQEEMP-SSDOTTSWSA-N -1 0 315.351 -0.141 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1csnn1 ZINC001592981164 1016827041 /nfs/dbraw/zinc/82/70/41/1016827041.db2.gz PMOLDIAKWBOVEN-BWZBUEFSSA-N -1 0 312.351 -0.106 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1C(=O)C1CCC1 ZINC001417056678 1003804507 /nfs/dbraw/zinc/80/45/07/1003804507.db2.gz ZOJXJJZTHFUMDE-SECBINFHSA-N -1 0 309.326 -0.794 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)c1cccnc1 ZINC001592970907 1016827150 /nfs/dbraw/zinc/82/71/50/1016827150.db2.gz MQYPFAPBOLPCIC-WCQGTBRESA-N -1 0 321.333 -0.447 20 0 DBADRM C[C@H](NC(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)[C@H]1CCOC1 ZINC001592979253 1016827264 /nfs/dbraw/zinc/82/72/64/1016827264.db2.gz PKBNHWAEFDYYAH-AOVQSLKQSA-N -1 0 310.350 -0.103 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)[C@H]1CC2CCC1CC2 ZINC001592970692 1016827428 /nfs/dbraw/zinc/82/74/28/1016827428.db2.gz IZRGVMIJYGTZGI-HBIQZDMRSA-N -1 0 324.377 -0.025 20 0 DBADRM O=C(N[C@@H]1CCCCNC1=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001592977549 1016827591 /nfs/dbraw/zinc/82/75/91/1016827591.db2.gz PQLUMNCEOJIXDC-SNVBAGLBSA-N -1 0 316.321 -0.029 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)[C@@H](C)c1ccccc1 ZINC001592970157 1016828265 /nfs/dbraw/zinc/82/82/65/1016828265.db2.gz CYXATGACNWTKEK-MNOVXSKESA-N -1 0 320.345 -0.047 20 0 DBADRM C[C@@H](CO)N(C)C(=O)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001592972713 1016828289 /nfs/dbraw/zinc/82/82/89/1016828289.db2.gz YSHVOWNONFWOHN-BQBZGAKWSA-N -1 0 315.351 -0.142 20 0 DBADRM O=C(Cn1cnnc1-c1nnn[n-]1)NC(=O)Nc1ccccc1 ZINC001592942022 1016823779 /nfs/dbraw/zinc/82/37/79/1016823779.db2.gz AWAWFNPSZQYUKU-UHFFFAOYSA-N -1 0 313.281 -0.194 20 0 DBADRM O=C(N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1)C1(F)CC1 ZINC001592943844 1016824773 /nfs/dbraw/zinc/82/47/73/1016824773.db2.gz IEHKKGQMXQCACS-UHFFFAOYSA-N -1 0 321.272 -0.986 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2cnsn2)c1[O-] ZINC001428532033 1003854047 /nfs/dbraw/zinc/85/40/47/1003854047.db2.gz PGKDRNTWCLFZBQ-YFKPBYRVSA-N -1 0 310.339 -0.176 20 0 DBADRM CCn1ncc(C(=O)N[C@H](C)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001428578060 1003862036 /nfs/dbraw/zinc/86/20/36/1003862036.db2.gz JVAIWVPYSKBVFA-SSDOTTSWSA-N -1 0 321.341 -0.417 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@H]2CCC(=O)NC2)c1[O-] ZINC001428576554 1003862923 /nfs/dbraw/zinc/86/29/23/1003862923.db2.gz HHLDAGKYZNAERE-APPZFPTMSA-N -1 0 323.353 -0.816 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@@](C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001417334723 1003867437 /nfs/dbraw/zinc/86/74/37/1003867437.db2.gz MEMWKVQRGLOIKM-RFXMVYNHSA-N -1 0 323.353 -0.548 20 0 DBADRM CCn1[n-]nnc1=NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC001417448103 1003882883 /nfs/dbraw/zinc/88/28/83/1003882883.db2.gz HDSKPZQBHMUWRA-UHFFFAOYSA-N -1 0 314.327 -0.790 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(N)=O ZINC001417579748 1003890972 /nfs/dbraw/zinc/89/09/72/1003890972.db2.gz FWYFKICWOAGPRQ-XVKPBYJWSA-N -1 0 306.326 -0.913 20 0 DBADRM CCc1ncc(Cl)c(C(=O)N=c2nn[n-]n2CCOC)n1 ZINC001417582136 1003892316 /nfs/dbraw/zinc/89/23/16/1003892316.db2.gz IGWUHFFOKUFZMX-UHFFFAOYSA-N -1 0 311.733 -0.001 20 0 DBADRM CC(=O)Nc1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001417602295 1003895102 /nfs/dbraw/zinc/89/51/02/1003895102.db2.gz VRULECQPLVKXRO-UHFFFAOYSA-N -1 0 305.294 -0.036 20 0 DBADRM C[C@@H](NC(=O)COC(=O)c1ccc(C(=O)[O-])nc1)C(=O)N(C)C ZINC001593029342 1016833191 /nfs/dbraw/zinc/83/31/91/1016833191.db2.gz CVFBQIJZBWBMEN-MRVPVSSYSA-N -1 0 323.305 -0.471 20 0 DBADRM CCn1nccc1C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001439316154 1003899608 /nfs/dbraw/zinc/89/96/08/1003899608.db2.gz KDMXKAMUBHHJGJ-VIFPVBQESA-N -1 0 307.358 -0.023 20 0 DBADRM C[C@@H](NC(=O)Cn1cccn1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593050181 1016833421 /nfs/dbraw/zinc/83/34/21/1016833421.db2.gz KIPMQZWBOMHICU-VHSXEESVSA-N -1 0 318.337 -0.202 20 0 DBADRM C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1nnc2n1CCC2 ZINC001593049576 1016833954 /nfs/dbraw/zinc/83/39/54/1016833954.db2.gz DXQFDVZYQQQTTB-SSDOTTSWSA-N -1 0 305.298 -0.609 20 0 DBADRM O=C(N[C@@H]1CC[S@](=O)C1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001592995758 1016829419 /nfs/dbraw/zinc/82/94/19/1016829419.db2.gz JXJKNFFLPOWDAW-ZEDNOMKYSA-N -1 0 307.335 -0.177 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1sccc1C(=O)[O-])c1nnnn1C ZINC001592991664 1016829616 /nfs/dbraw/zinc/82/96/16/1016829616.db2.gz XABGPYOWPFUJGX-RXMQYKEDSA-N -1 0 324.322 -0.214 20 0 DBADRM CN(CC(=O)NCc1ccco1)C(=O)CCCc1nnn[n-]1 ZINC001417635371 1003928684 /nfs/dbraw/zinc/92/86/84/1003928684.db2.gz PYUFNMCOMFSMES-UHFFFAOYSA-N -1 0 306.326 -0.110 20 0 DBADRM CCOC(=O)[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001417639070 1003931306 /nfs/dbraw/zinc/93/13/06/1003931306.db2.gz TUBZCJKYCBVPHB-SNVBAGLBSA-N -1 0 312.326 -0.073 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001592991380 1016829924 /nfs/dbraw/zinc/82/99/24/1016829924.db2.gz QKFJKNKCVGJDMR-LPEHRKFASA-N -1 0 300.355 -0.026 20 0 DBADRM O=C(CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCCC1 ZINC001593005550 1016830052 /nfs/dbraw/zinc/83/00/52/1016830052.db2.gz ONKGVMAQZXAOJX-UHFFFAOYSA-N -1 0 316.321 -0.076 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001592989548 1016830109 /nfs/dbraw/zinc/83/01/09/1016830109.db2.gz HMNQEVDARYUKBO-RKDXNWHRSA-N -1 0 311.342 -0.602 20 0 DBADRM CN(CCN1CCCC1=O)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001417643772 1003935804 /nfs/dbraw/zinc/93/58/04/1003935804.db2.gz GPDHSDXMJHLYBE-UHFFFAOYSA-N -1 0 311.342 -0.450 20 0 DBADRM O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001592996179 1016830502 /nfs/dbraw/zinc/83/05/02/1016830502.db2.gz MTEASNYUDMDEKS-QMMMGPOBSA-N -1 0 323.334 -0.511 20 0 DBADRM C[C@@H](NC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)C(=O)N(C)C ZINC001593064266 1016835606 /nfs/dbraw/zinc/83/56/06/1016835606.db2.gz RFOKBKIGUNSLJJ-RKDXNWHRSA-N -1 0 324.341 -0.591 20 0 DBADRM C[C@@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)C1N=NC(=O)N1C ZINC001593061758 1016835806 /nfs/dbraw/zinc/83/58/06/1016835806.db2.gz DFRJYNLTQAQFBW-HTQZYQBOSA-N -1 0 313.314 -0.533 20 0 DBADRM C[C@H](NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)c1nncn1C ZINC001593062799 1016836306 /nfs/dbraw/zinc/83/63/06/1016836306.db2.gz IEWYWBSBQLXSSE-ISVAXAHUSA-N -1 0 322.325 -0.109 20 0 DBADRM C[C@H](NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)c1ncn(C)n1 ZINC001593057094 1016836350 /nfs/dbraw/zinc/83/63/50/1016836350.db2.gz YLLQDJGXVAHPLT-WCBMZHEXSA-N -1 0 311.342 -0.257 20 0 DBADRM C[C@@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1nnnn1C1CC1 ZINC001593062869 1016836481 /nfs/dbraw/zinc/83/64/81/1016836481.db2.gz MSYWSQMSGIQTQP-SCZZXKLOSA-N -1 0 324.341 -0.046 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)CCCn2c(=O)[n-][nH]c2=O)cn1 ZINC001417669102 1003955957 /nfs/dbraw/zinc/95/59/57/1003955957.db2.gz PFJAJQQVANCXEB-SECBINFHSA-N -1 0 310.314 -0.947 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)c1cscn1 ZINC001593090333 1016841246 /nfs/dbraw/zinc/84/12/46/1016841246.db2.gz HCHAVSFAFYWNEO-UHFFFAOYSA-N -1 0 317.338 -0.623 20 0 DBADRM C[C@](O)(CNC(=O)CCCn1c(=O)[n-][nH]c1=O)C(F)(F)F ZINC001417683000 1003963427 /nfs/dbraw/zinc/96/34/27/1003963427.db2.gz GLDFGABFWCKPBP-VIFPVBQESA-N -1 0 312.248 -0.101 20 0 DBADRM COC(=O)CCN1CCN(C(=O)CCCc2nnn[n-]2)[C@H](C)C1 ZINC001417696174 1003979096 /nfs/dbraw/zinc/97/90/96/1003979096.db2.gz CFUSSNYLXGJXCK-LLVKDONJSA-N -1 0 324.385 -0.382 20 0 DBADRM Cn1c(CNC(=O)CSc2n[nH]c(=O)[n-]2)nnc1C1CC1 ZINC001417697936 1003979783 /nfs/dbraw/zinc/97/97/83/1003979783.db2.gz CTGWHXPQJRBCAY-UHFFFAOYSA-N -1 0 309.355 -0.075 20 0 DBADRM O=C(NCCCNc1ccnc(-c2nnn[n-]2)n1)C1CC=CC1 ZINC001593076663 1016839018 /nfs/dbraw/zinc/83/90/18/1016839018.db2.gz WSHAQHPNCHBUIJ-UHFFFAOYSA-N -1 0 314.353 -0.037 20 0 DBADRM C[C@@H](O)C[C@@H]1COCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001417707858 1003990056 /nfs/dbraw/zinc/99/00/56/1003990056.db2.gz NAGBSWJHUFQGKD-NXEZZACHSA-N -1 0 306.322 -0.366 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001417715955 1003998570 /nfs/dbraw/zinc/99/85/70/1003998570.db2.gz WBCTURIYQGEWGG-BDAKNGLRSA-N -1 0 312.326 -0.121 20 0 DBADRM C[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H](C(N)=O)C1 ZINC001417721216 1004002418 /nfs/dbraw/zinc/00/24/18/1004002418.db2.gz MHBHLINIDNNRNR-BDAKNGLRSA-N -1 0 311.342 -0.418 20 0 DBADRM CN(C)C(=O)CCCC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001417726113 1004006685 /nfs/dbraw/zinc/00/66/85/1004006685.db2.gz VGAVKYWIKPUQCQ-UHFFFAOYSA-N -1 0 310.358 -0.732 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC001417726304 1004006809 /nfs/dbraw/zinc/00/68/09/1004006809.db2.gz YOFLMWDTARNXNR-VHSXEESVSA-N -1 0 323.353 -0.401 20 0 DBADRM Cn1ncc(C2CC2)c1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001417725623 1004006936 /nfs/dbraw/zinc/00/69/36/1004006936.db2.gz BSWSDGLCVGTTOO-UHFFFAOYSA-N -1 0 317.353 -0.066 20 0 DBADRM Cn1c(Cl)ncc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001417725773 1004008251 /nfs/dbraw/zinc/00/82/51/1004008251.db2.gz IVFHMEJCVGICAP-UHFFFAOYSA-N -1 0 311.733 -0.290 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@H](O)c1ccccc1 ZINC001593112302 1016845651 /nfs/dbraw/zinc/84/56/51/1016845651.db2.gz MHEWCFBQSUPTBX-SNVBAGLBSA-N -1 0 314.309 -0.692 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1CCSC1 ZINC001593111155 1016845985 /nfs/dbraw/zinc/84/59/85/1016845985.db2.gz KMYKCASWENSLDV-QMMMGPOBSA-N -1 0 323.386 -0.490 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cncc(F)c1 ZINC001593112444 1016846045 /nfs/dbraw/zinc/84/60/45/1016846045.db2.gz MGUCBMNVFDCKOJ-UHFFFAOYSA-N -1 0 303.261 -0.578 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cnc2[nH]ccc2c1 ZINC001593111941 1016846569 /nfs/dbraw/zinc/84/65/69/1016846569.db2.gz DQMLXKPDAQWDBL-UHFFFAOYSA-N -1 0 324.308 -0.284 20 0 DBADRM Cn1[nH]c(CNC2(CNC(=O)CC[C@H]3CCOC3)CC2)nc1=O ZINC001439603854 1004065233 /nfs/dbraw/zinc/06/52/33/1004065233.db2.gz URWUNXAGINLUEX-NSHDSACASA-N -1 0 323.397 -0.337 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CC2(C1)CCCO2 ZINC001593109766 1016842614 /nfs/dbraw/zinc/84/26/14/1016842614.db2.gz ONFMQLUOROOMRG-UHFFFAOYSA-N -1 0 319.329 -0.967 20 0 DBADRM CS(=O)(=O)c1cccc(CNC(=O)CCc2nnn[n-]2)c1 ZINC001417854661 1004068913 /nfs/dbraw/zinc/06/89/13/1004068913.db2.gz IEFFPKRMPFCXOQ-UHFFFAOYSA-N -1 0 309.351 -0.148 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@H]1C[C@]12CCOC2 ZINC001593110006 1016842969 /nfs/dbraw/zinc/84/29/69/1016842969.db2.gz QUNGQQHPTTXYTR-PELKAZGASA-N -1 0 304.314 -0.999 20 0 DBADRM Cn1[nH]c(CNC2(CNC(=O)Cc3cncs3)CC2)nc1=O ZINC001439616887 1004072326 /nfs/dbraw/zinc/07/23/26/1004072326.db2.gz CWCWVNNNOAJYGH-UHFFFAOYSA-N -1 0 322.394 -0.454 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CC[C@@H](C(=O)Nc2cn[nH]c2)C1 ZINC001417874046 1004081297 /nfs/dbraw/zinc/08/12/97/1004081297.db2.gz BGOLBFCJDZURMM-MRVPVSSYSA-N -1 0 304.314 -0.657 20 0 DBADRM C[C@](NC(=O)c1cn(C(F)(F)CO)nn1)(C(=O)[O-])C1CC1 ZINC001593183378 1016852674 /nfs/dbraw/zinc/85/26/74/1016852674.db2.gz DODQORYGFPAADZ-SNVBAGLBSA-N -1 0 304.253 -0.197 20 0 DBADRM C[C@H](NC(=O)c1cn[nH]c1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593183688 1016853253 /nfs/dbraw/zinc/85/32/53/1016853253.db2.gz LQHSBOYEPDLKPA-YUMQZZPRSA-N -1 0 304.310 -0.061 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001417917428 1004106284 /nfs/dbraw/zinc/10/62/84/1004106284.db2.gz QWCBVIXGDFTGJP-WDEREUQCSA-N -1 0 308.386 -0.600 20 0 DBADRM C[C@H](NC(=O)Nc1nn(C)cc1C(=O)[O-])[C@H]1CN(C)CCO1 ZINC001593125317 1016848942 /nfs/dbraw/zinc/84/89/42/1016848942.db2.gz QDSFCOVRLPGYJY-WCBMZHEXSA-N -1 0 311.342 -0.041 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001593181342 1016849398 /nfs/dbraw/zinc/84/93/98/1016849398.db2.gz NWMHOBMDYLGHCB-SCZZXKLOSA-N -1 0 323.305 -0.848 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C ZINC001439796817 1004119690 /nfs/dbraw/zinc/11/96/90/1004119690.db2.gz UEWBYHVWMVDOQE-SCZZXKLOSA-N -1 0 317.342 -0.538 20 0 DBADRM O=C([N-]S(=O)(=O)CC1CC1)c1ccc(-c2nn[nH]n2)nc1 ZINC001593172624 1016850077 /nfs/dbraw/zinc/85/00/77/1016850077.db2.gz JXTINKDVXQKXFA-UHFFFAOYSA-N -1 0 308.323 -0.269 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC001417958563 1004135867 /nfs/dbraw/zinc/13/58/67/1004135867.db2.gz NWIWRAMNGXNTFI-UHFFFAOYSA-N -1 0 324.318 -0.857 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)Nc1cccc(-c2nn[nH]n2)n1 ZINC001593152778 1016851065 /nfs/dbraw/zinc/85/10/65/1016851065.db2.gz OQZSISILBPZYPU-UHFFFAOYSA-N -1 0 302.258 -0.593 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CCCC1 ZINC001439965437 1004156278 /nfs/dbraw/zinc/15/62/78/1004156278.db2.gz BZTOEIJSGBLKBI-CQSZACIVSA-N -1 0 309.370 -0.247 20 0 DBADRM O=C(Nc1c[nH]nc1-c1nnn[n-]1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001593261208 1016857362 /nfs/dbraw/zinc/85/73/62/1016857362.db2.gz STMPKZYXHAXMTE-ZCFIWIBFSA-N -1 0 302.298 -0.461 20 0 DBADRM O=C(Nc1cccc2c1CCNC2=O)c1n[nH]c(=O)[n-]c1=O ZINC001418010184 1004163179 /nfs/dbraw/zinc/16/31/79/1004163179.db2.gz JQOLFKZPTQYFPK-UHFFFAOYSA-N -1 0 301.262 -0.179 20 0 DBADRM C[C@H](NS(=O)(=O)CCCC(=O)[O-])[C@H]1CN(C)CCN1C ZINC001593318626 1016858044 /nfs/dbraw/zinc/85/80/44/1016858044.db2.gz DMMQNTHWUIMUES-WDEREUQCSA-N -1 0 307.416 -0.595 20 0 DBADRM CC1(CC(=O)NC[C@@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001440009188 1004188797 /nfs/dbraw/zinc/18/87/97/1004188797.db2.gz HZYFBQLEMAGIGF-AWEZNQCLSA-N -1 0 309.370 -0.247 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@]12C[C@H]1CCC2 ZINC001440013365 1004193865 /nfs/dbraw/zinc/19/38/65/1004193865.db2.gz QDTTVBJKXVDTNW-VCTAVGKDSA-N -1 0 321.381 -0.247 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccc1 ZINC001440031698 1004207027 /nfs/dbraw/zinc/20/70/27/1004207027.db2.gz OPEWAVVADCBTKW-UHFFFAOYSA-N -1 0 303.322 -0.513 20 0 DBADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001593279514 1016855720 /nfs/dbraw/zinc/85/57/20/1016855720.db2.gz OYTUUFUARNAQMR-JTQLQIEISA-N -1 0 323.334 -0.145 20 0 DBADRM O=C([O-])C1CN(C(=O)NCc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001593275486 1016856000 /nfs/dbraw/zinc/85/60/00/1016856000.db2.gz CAKBWMKBUOIVAL-UHFFFAOYSA-N -1 0 303.282 -0.512 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1cc(-c3nn[nH]n3)ncn1)C2 ZINC001593278820 1016856199 /nfs/dbraw/zinc/85/61/99/1016856199.db2.gz CKSDMENHSWFZAQ-JMCQJSRRSA-N -1 0 303.282 -0.806 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)c2cncc(-c3nn[nH]n3)c2)CC1 ZINC001593274014 1016856361 /nfs/dbraw/zinc/85/63/61/1016856361.db2.gz KYALXSYXYLUECJ-UHFFFAOYSA-N -1 0 310.295 -0.843 20 0 DBADRM O=C([O-])C1CN(S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001593277225 1016856531 /nfs/dbraw/zinc/85/65/31/1016856531.db2.gz UYHHVVUPWVINQD-UHFFFAOYSA-N -1 0 309.307 -0.428 20 0 DBADRM O=C([O-])CN1CC[C@@H](Oc2cccc(-c3nn[nH]n3)c2)C1=O ZINC001593278415 1016856907 /nfs/dbraw/zinc/85/69/07/1016856907.db2.gz DIRMDXWWXIZAOP-SNVBAGLBSA-N -1 0 303.278 -0.069 20 0 DBADRM O=C([O-])C1CN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001593276535 1016857066 /nfs/dbraw/zinc/85/70/66/1016857066.db2.gz MNFUPMHXWVTQQW-UHFFFAOYSA-N -1 0 303.278 -0.212 20 0 DBADRM C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)[C@H]1CN(C)CCN1C ZINC001593318629 1016859751 /nfs/dbraw/zinc/85/97/51/1016859751.db2.gz IYFZKPYFTAOTKD-WDEREUQCSA-N -1 0 319.427 -0.595 20 0 DBADRM Cc1ccoc1CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001440070931 1004239618 /nfs/dbraw/zinc/23/96/18/1004239618.db2.gz AFAVWOAKTJAIJB-UHFFFAOYSA-N -1 0 321.337 -0.683 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)[C@@H]1CN(C)CCO1 ZINC001593327386 1016860859 /nfs/dbraw/zinc/86/08/59/1016860859.db2.gz ZMBFRFSBTFHXND-SCZZXKLOSA-N -1 0 318.351 -0.025 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1cc2c([nH]c1=O)CCOC2 ZINC001418187432 1004251534 /nfs/dbraw/zinc/25/15/34/1004251534.db2.gz BYLFQFNLSXMWTJ-UHFFFAOYSA-N -1 0 306.278 -0.192 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC001418188384 1004251711 /nfs/dbraw/zinc/25/17/11/1004251711.db2.gz NMVPFLIVEUVRLB-SNVBAGLBSA-N -1 0 302.290 -0.152 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)c1ncnn1C ZINC001593331443 1016862190 /nfs/dbraw/zinc/86/21/90/1016862190.db2.gz XRNJLKUYXCXZBL-YFKPBYRVSA-N -1 0 300.300 -0.724 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001593366893 1016865581 /nfs/dbraw/zinc/86/55/81/1016865581.db2.gz HQZPQMODGNMJSX-RKDXNWHRSA-N -1 0 321.337 -0.879 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCOC[C@@H]1CCO ZINC001593334909 1016862855 /nfs/dbraw/zinc/86/28/55/1016862855.db2.gz GMEJEVKDNVGCOV-JTQLQIEISA-N -1 0 319.321 -0.204 20 0 DBADRM C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H](F)C(=O)[O-] ZINC001593344647 1016863243 /nfs/dbraw/zinc/86/32/43/1016863243.db2.gz DBWAKUFTBNQRHI-BQBZGAKWSA-N -1 0 324.355 -0.046 20 0 DBADRM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCN[C@H](c2cn[nH]c2)C1 ZINC001593339752 1016863544 /nfs/dbraw/zinc/86/35/44/1016863544.db2.gz VSTFOHXKVGWVPR-VIFPVBQESA-N -1 0 314.309 -0.031 20 0 DBADRM C[C@H](Nc1ccnc(C(=O)[O-])n1)C1CCN(C(=O)C(N)=O)CC1 ZINC001593367994 1016865601 /nfs/dbraw/zinc/86/56/01/1016865601.db2.gz SXAKCPKJAQAWKQ-QMMMGPOBSA-N -1 0 321.337 -0.879 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CC[C@H](CO)[C@@H](O)C1 ZINC001593348352 1016865062 /nfs/dbraw/zinc/86/50/62/1016865062.db2.gz UCTDMEBTXFSTLL-KCJUWKMLSA-N -1 0 304.310 -0.923 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001593347367 1016866092 /nfs/dbraw/zinc/86/60/92/1016866092.db2.gz IIKKVKDEGPPXCK-PTRXPTGYSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001593366959 1016866148 /nfs/dbraw/zinc/86/61/48/1016866148.db2.gz JGTZXEAMWSQPPX-BDAKNGLRSA-N -1 0 321.337 -0.879 20 0 DBADRM O=C(c1cnccc1-c1nn[nH]n1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001593363940 1016866486 /nfs/dbraw/zinc/86/64/86/1016866486.db2.gz XTSSSKRLOQUTIL-LDYMZIIASA-N -1 0 304.310 -0.923 20 0 DBADRM C[C@@H](CC(=O)[O-])OC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC001593347427 1016866605 /nfs/dbraw/zinc/86/66/05/1016866605.db2.gz KGXCRLOWRONNIE-YUMQZZPRSA-N -1 0 319.339 -0.507 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1cscn1 ZINC001418300342 1004323360 /nfs/dbraw/zinc/32/33/60/1004323360.db2.gz APXXHIZALGYIBI-SSDOTTSWSA-N -1 0 312.355 -0.560 20 0 DBADRM O=C(c1ccc(-c2nnn[n-]2)o1)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC001593385955 1016869120 /nfs/dbraw/zinc/86/91/20/1016869120.db2.gz LYBCOVZLOMTJSY-SSDOTTSWSA-N -1 0 316.277 -0.521 20 0 DBADRM COC(=O)CC1(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1 ZINC001418367591 1004362096 /nfs/dbraw/zinc/36/20/96/1004362096.db2.gz LOYPFXPGJIBWEE-UHFFFAOYSA-N -1 0 316.321 -0.100 20 0 DBADRM C[C@@](O)(CNC(=O)[C@H]1CCN(Cc2ccccc2)C1=O)C(=O)[O-] ZINC001593398766 1016872431 /nfs/dbraw/zinc/87/24/31/1016872431.db2.gz FPDZSFXJBKZBMR-MLGOLLRUSA-N -1 0 320.345 -0.013 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O)C(=O)[O-] ZINC001593398765 1016872968 /nfs/dbraw/zinc/87/29/68/1016872968.db2.gz FPDZSFXJBKZBMR-LRDDRELGSA-N -1 0 320.345 -0.013 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1CCN(Cc2ccccc2)C1=O)C(=O)[O-] ZINC001593398767 1016873200 /nfs/dbraw/zinc/87/32/00/1016873200.db2.gz FPDZSFXJBKZBMR-WBMJQRKESA-N -1 0 320.345 -0.013 20 0 DBADRM C[C@@](O)(CNC(=O)C1CN(C(=O)C2CCCCC2)C1)C(=O)[O-] ZINC001593399618 1016874771 /nfs/dbraw/zinc/87/47/71/1016874771.db2.gz XWCCZGVCIRIDIJ-OAHLLOKOSA-N -1 0 312.366 -0.023 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)[C@H](C)C(=O)NC2CC2)c1[O-] ZINC001418452946 1004402365 /nfs/dbraw/zinc/40/23/65/1004402365.db2.gz MLFCQLVVKPZNPM-SECBINFHSA-N -1 0 309.370 -0.248 20 0 DBADRM COc1cnc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)nc1 ZINC001418476099 1004420286 /nfs/dbraw/zinc/42/02/86/1004420286.db2.gz QPGRYMHREUHZMO-UHFFFAOYSA-N -1 0 307.314 -0.829 20 0 DBADRM C[C@](O)(CNC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)[O-] ZINC001593405422 1016877624 /nfs/dbraw/zinc/87/76/24/1016877624.db2.gz LVOWSCIHXFICOJ-NSHDSACASA-N -1 0 322.239 -0.181 20 0 DBADRM Cc1ccn(CC(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)c(=O)c1 ZINC001418502083 1004437641 /nfs/dbraw/zinc/43/76/41/1004437641.db2.gz GPIMYMUMMIRGJW-UHFFFAOYSA-N -1 0 320.353 -0.771 20 0 DBADRM O=C1NC[C@H](Cn2cc3c(c(-c4nnn[n-]4)c2=O)CCC3)O1 ZINC001593405038 1016878293 /nfs/dbraw/zinc/87/82/93/1016878293.db2.gz FYULNQBOYDQZDW-MRVPVSSYSA-N -1 0 302.294 -0.375 20 0 DBADRM CSCC[C@H](NC(=O)[C@H]1CCc2nncn2C1)c1nnn[n-]1 ZINC001418529578 1004457130 /nfs/dbraw/zinc/45/71/30/1004457130.db2.gz XJNCDKPTNLMQBF-IUCAKERBSA-N -1 0 322.398 -0.036 20 0 DBADRM CCN(CCNC(=O)CCc1ccnn1C)Cc1n[nH]c(=O)[n-]1 ZINC001418545226 1004469976 /nfs/dbraw/zinc/46/99/76/1004469976.db2.gz OVLISVXLIUBWPR-UHFFFAOYSA-N -1 0 321.385 -0.185 20 0 DBADRM C[C@H](O)C(C)(C)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001593427881 1016881226 /nfs/dbraw/zinc/88/12/26/1016881226.db2.gz OWHSKPFCVKASRZ-CIUDSAMLSA-N -1 0 303.359 -0.330 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001593427237 1016881567 /nfs/dbraw/zinc/88/15/67/1016881567.db2.gz JHLGZMRJNORAIK-OYFAQSGBSA-N -1 0 320.345 -0.175 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001593424885 1016881807 /nfs/dbraw/zinc/88/18/07/1016881807.db2.gz BNOUFAGGQUYQFJ-WKGDZTOBSA-N -1 0 312.366 -0.169 20 0 DBADRM CCC(=O)NCC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001418588521 1004487516 /nfs/dbraw/zinc/48/75/16/1004487516.db2.gz FOVHNKKPVAENGQ-SECBINFHSA-N -1 0 310.358 -0.883 20 0 DBADRM C[C@@H](O)C(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC001593427926 1016882005 /nfs/dbraw/zinc/88/20/05/1016882005.db2.gz QKGMONLFZDAJGR-SECBINFHSA-N -1 0 315.347 -0.317 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001593425618 1016882403 /nfs/dbraw/zinc/88/24/03/1016882403.db2.gz JWFGKBNUMLPANE-WKEGUHRASA-N -1 0 310.310 -0.668 20 0 DBADRM CN(C(=O)CCNS(=O)(=O)c1ccccc1)c1nnn[n-]1 ZINC001418611367 1004499816 /nfs/dbraw/zinc/49/98/16/1004499816.db2.gz DMEUTQVZQYQJBI-UHFFFAOYSA-N -1 0 310.339 -0.469 20 0 DBADRM CCNC(=O)CN1CCC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001418622035 1004505883 /nfs/dbraw/zinc/50/58/83/1004505883.db2.gz SYLZOSVWWSHECM-JTQLQIEISA-N -1 0 309.370 -0.246 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001418625199 1004509564 /nfs/dbraw/zinc/50/95/64/1004509564.db2.gz ZVOQRMKGENORHH-VHSXEESVSA-N -1 0 324.385 -0.494 20 0 DBADRM CN(CCNC(=O)CC1(C)CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001496290918 1016883762 /nfs/dbraw/zinc/88/37/62/1016883762.db2.gz NXIKRGFNBKHPSK-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM O=S(=O)(N[C@@H](CO)CCF)c1cccnc1-c1nnn[n-]1 ZINC001593430993 1016883763 /nfs/dbraw/zinc/88/37/63/1016883763.db2.gz YJQOBXUMVZSTMW-SSDOTTSWSA-N -1 0 316.318 -0.740 20 0 DBADRM O=S(=O)(N[C@@H](CCO)C1CC1)c1cccnc1-c1nnn[n-]1 ZINC001593430328 1016884306 /nfs/dbraw/zinc/88/43/06/1016884306.db2.gz PCTMMIVNRQQGTK-VIFPVBQESA-N -1 0 324.366 -0.299 20 0 DBADRM C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001593435141 1016884583 /nfs/dbraw/zinc/88/45/83/1016884583.db2.gz DYBCCOKALNRQLX-QTAHKJALSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H](O)[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001593438543 1016885878 /nfs/dbraw/zinc/88/58/78/1016885878.db2.gz WEPDMISPURUEKZ-YUMQZZPRSA-N -1 0 303.340 -0.111 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1 ZINC001593438584 1016886076 /nfs/dbraw/zinc/88/60/76/1016886076.db2.gz WRIFEKVHXNBXJX-BUWBCJGYSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001593435926 1016886505 /nfs/dbraw/zinc/88/65/05/1016886505.db2.gz ILSVWBVNJNRQLH-WHOHXGKFSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H](O)[C@@H]1CCCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001593436434 1016886665 /nfs/dbraw/zinc/88/66/65/1016886665.db2.gz LQLANMPDMQBAKX-UKKRHICBSA-N -1 0 315.370 -0.233 20 0 DBADRM C[C@@H](O)C[C@@H](C)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001593441786 1016887972 /nfs/dbraw/zinc/88/79/72/1016887972.db2.gz SXMGLJLOCMLKGY-HTQZYQBOSA-N -1 0 312.326 -0.420 20 0 DBADRM C[C@@H](CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C[C@H](C)O ZINC001593441511 1016888025 /nfs/dbraw/zinc/88/80/25/1016888025.db2.gz QAWBYRGKJZODAW-KATARQTJSA-N -1 0 303.359 -0.330 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001593440802 1016888436 /nfs/dbraw/zinc/88/84/36/1016888436.db2.gz BKNDVYFHTLCBJK-DTWKUNHWSA-N -1 0 307.306 -0.052 20 0 DBADRM C[C@H](O)C[C@H](C)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001593442043 1016888626 /nfs/dbraw/zinc/88/86/26/1016888626.db2.gz WDWBAQPMCNSCRY-DCAQKATOSA-N -1 0 300.355 -0.167 20 0 DBADRM O=S(=O)([N-]c1cnsn1)c1ccc(-c2nn[nH]n2)nc1 ZINC001593447476 1016889024 /nfs/dbraw/zinc/88/90/24/1016889024.db2.gz UUZPFGDBZSFGTD-UHFFFAOYSA-N -1 0 310.324 -0.086 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCOC[C@H]1C[C@H](C)O)C(=O)[O-] ZINC001593448798 1016890524 /nfs/dbraw/zinc/89/05/24/1016890524.db2.gz VCESBZDBBKEOPG-LOWVWBTDSA-N -1 0 302.371 -0.317 20 0 DBADRM Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1cn([C@@H]3CC[C@H]3O)nn1)C2 ZINC001418715191 1004591633 /nfs/dbraw/zinc/59/16/33/1004591633.db2.gz XWSOHAWUPYDLOQ-VXGBXAGGSA-N -1 0 316.321 -0.066 20 0 DBADRM C[C@H](O)CN(C(=O)Nc1c(C(=O)[O-])cnn1C)[C@@H](C)CO ZINC001593456781 1016890943 /nfs/dbraw/zinc/89/09/43/1016890943.db2.gz NCMRGSVRCKDJIB-YUMQZZPRSA-N -1 0 300.315 -0.286 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1CCC[C@@H]1CO ZINC001593457279 1016891019 /nfs/dbraw/zinc/89/10/19/1016891019.db2.gz KKBMUMQFLYPKPP-MRVPVSSYSA-N -1 0 310.339 -0.593 20 0 DBADRM C[C@@H](O)c1cn(C2CN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)C2)nn1 ZINC001593477619 1016895387 /nfs/dbraw/zinc/89/53/87/1016895387.db2.gz YCXJOITUJFDOCC-ONOSFVFSSA-N -1 0 310.310 -0.653 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1Cc2c[nH]nc2C1 ZINC001593455294 1016891474 /nfs/dbraw/zinc/89/14/74/1016891474.db2.gz XSOABMMCKGRFHL-UHFFFAOYSA-N -1 0 307.295 -0.113 20 0 DBADRM C[C@@H](O)CN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)[C@@H](C)CO ZINC001593457108 1016892075 /nfs/dbraw/zinc/89/20/75/1016892075.db2.gz QPJWYBWTULRXHD-WHOHXGKFSA-N -1 0 303.355 -0.011 20 0 DBADRM C[C@H](O)CN(CC(F)F)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001593458766 1016892318 /nfs/dbraw/zinc/89/23/18/1016892318.db2.gz GMGJHYABHBSYFC-YFKPBYRVSA-N -1 0 313.282 -0.256 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CC(=O)NC2CC2)C2CC2)c1[O-] ZINC001418759545 1004621313 /nfs/dbraw/zinc/62/13/13/1004621313.db2.gz SXJXGVSZMSMWGE-UHFFFAOYSA-N -1 0 321.381 -0.103 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)CC1 ZINC001593463474 1016893396 /nfs/dbraw/zinc/89/33/96/1016893396.db2.gz VKSJPLPJLBUIHP-LLVKDONJSA-N -1 0 323.349 -0.929 20 0 DBADRM C[C@@H](O)CN1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC001593462562 1016893813 /nfs/dbraw/zinc/89/38/13/1016893813.db2.gz MPDCCRBYPUZGSE-SECBINFHSA-N -1 0 317.367 -0.600 20 0 DBADRM C[C@H](O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001593464274 1016894155 /nfs/dbraw/zinc/89/41/55/1016894155.db2.gz ZWAWAVBOQMZECG-VIFPVBQESA-N -1 0 318.351 -0.335 20 0 DBADRM C[C@@H](O)CN1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CC1 ZINC001593462094 1016894733 /nfs/dbraw/zinc/89/47/33/1016894733.db2.gz DMGRMGSKQBNGRW-LLVKDONJSA-N -1 0 320.411 -0.431 20 0 DBADRM O=C(Cn1ccnc1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001418798606 1004652698 /nfs/dbraw/zinc/65/26/98/1004652698.db2.gz JHKUQMFWBNZXPE-UHFFFAOYSA-N -1 0 305.342 -0.512 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@@H](C(=O)[O-])c2cccnc2)nn1 ZINC001593477191 1016895900 /nfs/dbraw/zinc/89/59/00/1016895900.db2.gz LAPVSAPLJHPPOU-QPUJVOFHSA-N -1 0 305.294 -0.332 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N(CC(=O)[O-])C2CCOCC2)nn1 ZINC001593477136 1016896766 /nfs/dbraw/zinc/89/67/66/1016896766.db2.gz JTZBYCHKHBRITL-VIFPVBQESA-N -1 0 312.326 -0.576 20 0 DBADRM C[C@@H](OC(=O)[C@H](C)N1CCSCC1)C(=O)NCC(=O)[O-] ZINC001593485532 1016897544 /nfs/dbraw/zinc/89/75/44/1016897544.db2.gz RTEVFWCUDDTAPC-DTWKUNHWSA-N -1 0 304.368 -0.444 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1Cc1ccc2nonc2c1 ZINC001593489352 1016897661 /nfs/dbraw/zinc/89/76/61/1016897661.db2.gz HQRCDUATAOBREA-UHFFFAOYSA-N -1 0 312.249 -0.287 20 0 DBADRM C[C@@H](OC(=O)[C@H](C)S(C)(=O)=O)c1cn(CC(=O)[O-])nn1 ZINC001593485878 1016897819 /nfs/dbraw/zinc/89/78/19/1016897819.db2.gz VGGAWSJOIWCRGH-RQJHMYQMSA-N -1 0 305.312 -0.600 20 0 DBADRM C[C@@H](OC(=O)C1(C(=O)[O-])CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001593490393 1016898158 /nfs/dbraw/zinc/89/81/58/1016898158.db2.gz CFBSSJZCERXZSU-SFYZADRCSA-N -1 0 319.335 -0.914 20 0 DBADRM C[C@@H](OC(=O)[C@@H](CO)NC(=O)c1ccccc1)C(=O)C(=O)[O-] ZINC001593484461 1016898538 /nfs/dbraw/zinc/89/85/38/1016898538.db2.gz JGIFREKCHSWTOR-PSASIEDQSA-N -1 0 309.274 -0.637 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)NCC(=O)[O-] ZINC001593503145 1016901105 /nfs/dbraw/zinc/90/11/05/1016901105.db2.gz STPHJORZGMQMIX-YUMQZZPRSA-N -1 0 307.324 -0.914 20 0 DBADRM C[C@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)CCS1(=O)=O ZINC001418951972 1004730303 /nfs/dbraw/zinc/73/03/03/1004730303.db2.gz BEGVYHAPLGDWIR-QMMMGPOBSA-N -1 0 310.335 -0.718 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC1CN(c2ccncn2)C1 ZINC001418981212 1004745879 /nfs/dbraw/zinc/74/58/79/1004745879.db2.gz LKZNYGNGIOQMHK-UHFFFAOYSA-N -1 0 307.339 -0.603 20 0 DBADRM C[C@H](OC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)C(=O)[O-] ZINC001593512760 1016902946 /nfs/dbraw/zinc/90/29/46/1016902946.db2.gz BIPLPPGDIGBBHX-BQBZGAKWSA-N -1 0 313.228 -0.165 20 0 DBADRM C[C@@H](OC(=O)CC1(n2cnnn2)CCOCC1)C(=O)C(=O)[O-] ZINC001593517541 1016903155 /nfs/dbraw/zinc/90/31/55/1016903155.db2.gz VSJNELIOSWAKLY-MRVPVSSYSA-N -1 0 312.282 -0.846 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001418996758 1004753938 /nfs/dbraw/zinc/75/39/38/1004753938.db2.gz DJBGCFYTFIWJPY-UHFFFAOYSA-N -1 0 318.337 -0.218 20 0 DBADRM CC(C)NC(=O)CCCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001418996158 1004754505 /nfs/dbraw/zinc/75/45/05/1004754505.db2.gz MBBJKLIMVYRHSB-UHFFFAOYSA-N -1 0 324.385 -0.494 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CNC(=O)c2ccccc21)C(=O)NCC(=O)[O-] ZINC001593515793 1016903642 /nfs/dbraw/zinc/90/36/42/1016903642.db2.gz OWQRAXFRNYCOLN-LDYMZIIASA-N -1 0 320.301 -0.354 20 0 DBADRM COCC(=O)NCC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001419002719 1004757280 /nfs/dbraw/zinc/75/72/80/1004757280.db2.gz GIDXTJLESQWDRS-UHFFFAOYSA-N -1 0 305.338 -0.783 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CCc2ncncc2C1)C(=O)NCC(=O)[O-] ZINC001593515646 1016903803 /nfs/dbraw/zinc/90/38/03/1016903803.db2.gz NTYBMMAHETXHBG-RKDXNWHRSA-N -1 0 307.306 -0.286 20 0 DBADRM COC(=O)[C@H](CCC1OCCO1)NC(=O)c1cc(=O)n(C)[n-]1 ZINC001419012765 1004762745 /nfs/dbraw/zinc/76/27/45/1004762745.db2.gz IRSRJPXLEALRFB-QMMMGPOBSA-N -1 0 313.310 -0.450 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(Cc2ccns2)C1 ZINC001419039154 1004781692 /nfs/dbraw/zinc/78/16/92/1004781692.db2.gz ZBKAPMWJASJAKS-UHFFFAOYSA-N -1 0 324.366 -0.606 20 0 DBADRM CN(C)c1noc(CCC(=O)N2CC[C@@H](c3nnn[n-]3)C2)n1 ZINC001419045172 1004782403 /nfs/dbraw/zinc/78/24/03/1004782403.db2.gz XVVJBQIPIVWZIJ-MRVPVSSYSA-N -1 0 306.330 -0.403 20 0 DBADRM C[C@@H](OC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)C(=O)[O-] ZINC001593512771 1016905985 /nfs/dbraw/zinc/90/59/85/1016905985.db2.gz BIPLPPGDIGBBHX-RNFRBKRXSA-N -1 0 313.228 -0.165 20 0 DBADRM COC(=O)[C@]12CCC[C@H]1CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001419093060 1004804318 /nfs/dbraw/zinc/80/43/18/1004804318.db2.gz XOPGDKJVSSNHEP-SDBXPKJASA-N -1 0 310.310 -0.509 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)NC1(c2nnn[n-]2)CCC1 ZINC001419158565 1004822524 /nfs/dbraw/zinc/82/25/24/1004822524.db2.gz DIYJQTNTPBOCHW-UHFFFAOYSA-N -1 0 301.372 -0.092 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001419162585 1004823501 /nfs/dbraw/zinc/82/35/01/1004823501.db2.gz MUDNVYJVHXMWKB-MRVPVSSYSA-N -1 0 316.325 -0.529 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001419162590 1004824071 /nfs/dbraw/zinc/82/40/71/1004824071.db2.gz MUDNVYJVHXMWKB-QMMMGPOBSA-N -1 0 316.325 -0.529 20 0 DBADRM C[C@H](OC(=O)COc1ccccc1C(N)=O)C(=O)NCC(=O)[O-] ZINC001593535684 1016912817 /nfs/dbraw/zinc/91/28/17/1016912817.db2.gz XXQYYTNDKSQTHS-QMMMGPOBSA-N -1 0 324.289 -0.703 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)cn1)N1CCC(CO)(CO)CC1 ZINC001419330050 1004857825 /nfs/dbraw/zinc/85/78/25/1004857825.db2.gz FQIJUZRVVQTXGA-UHFFFAOYSA-N -1 0 318.337 -0.531 20 0 DBADRM C[C@H](OC(=O)CNC(=O)COc1ccccc1)C(=O)C(=O)[O-] ZINC001593534280 1016915138 /nfs/dbraw/zinc/91/51/38/1016915138.db2.gz ULVSQNSBLDPRKT-VIFPVBQESA-N -1 0 309.274 -0.233 20 0 DBADRM C[C@@H](OC(=O)Cc1ccc(S(N)(=O)=O)s1)C(=O)C(=O)[O-] ZINC001593536943 1016916946 /nfs/dbraw/zinc/91/69/46/1016916946.db2.gz CRYYXYMJWGRAFH-RXMQYKEDSA-N -1 0 321.332 -0.477 20 0 DBADRM CN(C)C(=O)CN1CCCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001419543273 1004896593 /nfs/dbraw/zinc/89/65/93/1004896593.db2.gz VXMBJUXUBYBOST-UHFFFAOYSA-N -1 0 323.401 -0.855 20 0 DBADRM COC[C@@H](NC(=O)c1cccc(C(=O)OC)n1)c1nnn[n-]1 ZINC001419552100 1004898262 /nfs/dbraw/zinc/89/82/62/1004898262.db2.gz KAZBBVFVCYJVRT-SECBINFHSA-N -1 0 306.282 -0.501 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001419558106 1004899749 /nfs/dbraw/zinc/89/97/49/1004899749.db2.gz VEGBVKKBQDXZCP-UWVGGRQHSA-N -1 0 313.358 -0.748 20 0 DBADRM COC[C@H](NC(=O)c1ccc(N2CCCC2)nn1)c1nnn[n-]1 ZINC001419560054 1004900237 /nfs/dbraw/zinc/90/02/37/1004900237.db2.gz ZDYGGNTXSVMVRH-JTQLQIEISA-N -1 0 318.341 -0.293 20 0 DBADRM COC[C@@H](NC(=O)C(F)(F)C1(O)CCCC1)c1nnn[n-]1 ZINC001419560360 1004901215 /nfs/dbraw/zinc/90/12/15/1004901215.db2.gz ZJEQUCSRLJJOCC-SSDOTTSWSA-N -1 0 305.285 -0.056 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(=O)NC[C@H]1CCCO1 ZINC001593547403 1016918109 /nfs/dbraw/zinc/91/81/09/1016918109.db2.gz NMUZIZRRRYCUDS-CHWFTXMASA-N -1 0 315.322 -0.155 20 0 DBADRM OC[C@@H]1C[C@@H](O)CN1c1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001593541032 1016919233 /nfs/dbraw/zinc/91/92/33/1016919233.db2.gz FRQZCLFSRLLDHJ-CRCLSJGQSA-N -1 0 302.747 -0.092 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)cn1 ZINC001419600674 1004916809 /nfs/dbraw/zinc/91/68/09/1004916809.db2.gz ZUEBQFAJXOCNNP-BXKDBHETSA-N -1 0 305.342 -0.552 20 0 DBADRM C[C@H](OC(=O)Cn1cc(C(=O)[O-])cn1)C(=O)Nc1ncccn1 ZINC001593541401 1016920206 /nfs/dbraw/zinc/92/02/06/1016920206.db2.gz DSOIYSRGYNSZBN-QMMMGPOBSA-N -1 0 319.277 -0.058 20 0 DBADRM O=C(NC[C@@H](O)Cc1ccccc1F)c1n[nH]c(=O)[n-]c1=O ZINC001419690804 1004942600 /nfs/dbraw/zinc/94/26/00/1004942600.db2.gz GPGGDRKUDKZJBU-QMMMGPOBSA-N -1 0 308.269 -0.245 20 0 DBADRM C[C@@H](OC(=O)c1coc(C(N)=O)c1)c1cn(CC(=O)[O-])nn1 ZINC001593599455 1016927649 /nfs/dbraw/zinc/92/76/49/1016927649.db2.gz HQWPCNCKLFBRHV-ZCFIWIBFSA-N -1 0 308.250 -0.027 20 0 DBADRM C[C@@H](OC(=O)c1sccc1S(N)(=O)=O)C(=O)C(=O)[O-] ZINC001593602849 1016928246 /nfs/dbraw/zinc/92/82/46/1016928246.db2.gz LOPLIQIXMSOQAA-SCSAIBSYSA-N -1 0 307.305 -0.406 20 0 DBADRM C[C@@H](OCC1CC1)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001593603711 1016929966 /nfs/dbraw/zinc/92/99/66/1016929966.db2.gz DIIKDKIDHGXLAR-PSASIEDQSA-N -1 0 305.352 -0.488 20 0 DBADRM C[C@H](OC(=O)c1ccccc1NCCO)C(=O)NCC(=O)[O-] ZINC001593592844 1016930531 /nfs/dbraw/zinc/93/05/31/1016930531.db2.gz ZLDIDDDGQWTKEZ-VIFPVBQESA-N -1 0 310.306 -0.163 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1C2CCC1(CO)CC2 ZINC001419953108 1005027650 /nfs/dbraw/zinc/02/76/50/1005027650.db2.gz VYZFZVKVENOIEU-UHFFFAOYSA-N -1 0 303.322 -0.413 20 0 DBADRM C[C@H](OC(=O)c1cnn(C)n1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593599264 1016931036 /nfs/dbraw/zinc/93/10/36/1016931036.db2.gz FVLFKGCOPJMPSQ-QMMMGPOBSA-N -1 0 310.310 -0.316 20 0 DBADRM C[C@@H](OCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])c1nccn1C ZINC001593604869 1016931167 /nfs/dbraw/zinc/93/11/67/1016931167.db2.gz WMCOZPQMATUWLG-ZJUUUORDSA-N -1 0 324.337 -0.701 20 0 DBADRM C[C@H](Oc1ccccn1)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001593655509 1016932109 /nfs/dbraw/zinc/93/21/09/1016932109.db2.gz GWHJTQDFZZABEO-JTQLQIEISA-N -1 0 309.322 -0.054 20 0 DBADRM C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001593606336 1016932473 /nfs/dbraw/zinc/93/24/73/1016932473.db2.gz NNQIOAURIPZGKX-VXGBXAGGSA-N -1 0 300.355 -0.201 20 0 DBADRM C[C@@H](c1nncn1C)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001593738219 1016935230 /nfs/dbraw/zinc/93/52/30/1016935230.db2.gz QUKUATUTSVPOOZ-DTWKUNHWSA-N -1 0 302.356 -0.550 20 0 DBADRM C[C@@]1(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)Oc2ccccc2NC1=O ZINC001593745658 1016935454 /nfs/dbraw/zinc/93/54/54/1016935454.db2.gz WJHPJBXSOCTCHQ-CABCVRRESA-N -1 0 320.301 -0.176 20 0 DBADRM C[C@H](c1nc(C(=O)[O-])co1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001593730616 1016936030 /nfs/dbraw/zinc/93/60/30/1016936030.db2.gz QJAGFEAMSGDPHU-HTQZYQBOSA-N -1 0 316.339 -0.732 20 0 DBADRM C[C@]1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CCCCO1 ZINC001593756118 1016937454 /nfs/dbraw/zinc/93/74/54/1016937454.db2.gz CCZBANBASPTDAK-ZWKOPEQDSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@]1(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CCC(=O)NC1 ZINC001593749931 1016938018 /nfs/dbraw/zinc/93/80/18/1016938018.db2.gz UBBGEASCKIVHDQ-NZVBXONLSA-N -1 0 310.350 -0.148 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)[C@H]2CCO[C@H]21 ZINC001593833583 1016941782 /nfs/dbraw/zinc/94/17/82/1016941782.db2.gz RRSKAJDHDNJESI-LNFKQOIKSA-N -1 0 310.350 -0.151 20 0 DBADRM C[C@@]1(C(=O)NCCNc2ncc(C(=O)[O-])cn2)CCNC(=O)C1 ZINC001593754248 1016938388 /nfs/dbraw/zinc/93/83/88/1016938388.db2.gz TXKUQCMRTHKCMP-CQSZACIVSA-N -1 0 321.337 -0.381 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001593783351 1016939992 /nfs/dbraw/zinc/93/99/92/1016939992.db2.gz IOPXIFSRDIUQFQ-BMIGLBTASA-N -1 0 320.349 -0.294 20 0 DBADRM C[C@]1(C(N)=O)CCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001593815350 1016941238 /nfs/dbraw/zinc/94/12/38/1016941238.db2.gz JGKQKPLYVCTTBJ-JTQLQIEISA-N -1 0 319.364 -0.273 20 0 DBADRM CC1(CNC(=O)C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CC1 ZINC001594013710 1016948771 /nfs/dbraw/zinc/94/87/71/1016948771.db2.gz UGQKOUYTNRZTER-CQSZACIVSA-N -1 0 309.322 -0.265 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCOC1 ZINC001594012072 1016948841 /nfs/dbraw/zinc/94/88/41/1016948841.db2.gz CJQDQMGQTZTXOK-QMTHXVAHSA-N -1 0 314.338 -0.769 20 0 DBADRM CC1(C)CC[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001593883638 1016943469 /nfs/dbraw/zinc/94/34/69/1016943469.db2.gz OABKTACFTSASSL-UWVGGRQHSA-N -1 0 322.365 -0.078 20 0 DBADRM CN(CCNC(=O)c1cnn2c1CCC2)Cc1n[nH]c(=O)[n-]1 ZINC001420233473 1005165368 /nfs/dbraw/zinc/16/53/68/1005165368.db2.gz UKXUTUJNGFIIAN-UHFFFAOYSA-N -1 0 305.342 -0.485 20 0 DBADRM CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)c1occc1C(=O)[O-] ZINC001593948386 1016944728 /nfs/dbraw/zinc/94/47/28/1016944728.db2.gz COKUACRDEHEWCU-ZETCQYMHSA-N -1 0 302.308 -0.219 20 0 DBADRM C[C@]1(CCC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CCC(=O)N1 ZINC001593999415 1016947124 /nfs/dbraw/zinc/94/71/24/1016947124.db2.gz MKZYXRVRKHSXDO-CQSZACIVSA-N -1 0 321.337 -0.192 20 0 DBADRM C[C@]1(CCC(=O)NCCC(=O)NCCC(=O)[O-])CCC(=O)N1 ZINC001593999401 1016947271 /nfs/dbraw/zinc/94/72/71/1016947271.db2.gz LTEMJHREBAGOGY-AWEZNQCLSA-N -1 0 313.354 -0.468 20 0 DBADRM CC1(CC(=O)N2CC(CCO)(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001593995986 1016947505 /nfs/dbraw/zinc/94/75/05/1016947505.db2.gz CSXNAAMJAISKMQ-GHMZBOCLSA-N -1 0 324.377 -0.023 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2[nH]cnc2C(=O)[O-])C1=O ZINC001593991628 1016947702 /nfs/dbraw/zinc/94/77/02/1016947702.db2.gz MAULUCDOPGCXEA-CYBMUJFWSA-N -1 0 321.293 -0.233 20 0 DBADRM C[C@]1(CO)CCCN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001594030724 1016948319 /nfs/dbraw/zinc/94/83/19/1016948319.db2.gz OAPMTZFNBOUFEY-OENPGXAMSA-N -1 0 324.377 -0.025 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCC(=O)c1cncs1 ZINC001420322586 1005210585 /nfs/dbraw/zinc/21/05/85/1005210585.db2.gz ANCWXICUTXLYDG-UHFFFAOYSA-N -1 0 311.323 -0.075 20 0 DBADRM C[C@@]1(c2cccc(C(=O)N[C@@H](CF)C(=O)[O-])c2)NC(=O)NC1=O ZINC001594074689 1016955214 /nfs/dbraw/zinc/95/52/14/1016955214.db2.gz YOATYWBLKZLQDV-XPTSAGLGSA-N -1 0 323.280 -0.106 20 0 DBADRM CC1(C)C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCS1(=O)=O ZINC001420325987 1005215092 /nfs/dbraw/zinc/21/50/92/1005215092.db2.gz MOZGPOJOSOZHGP-ZETCQYMHSA-N -1 0 318.355 -0.839 20 0 DBADRM C[C@]1(NC(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)CCNC1=O ZINC001594053839 1016951832 /nfs/dbraw/zinc/95/18/32/1016951832.db2.gz ZGSAFCKCCIIDEJ-RTHLEPHNSA-N -1 0 321.337 -0.006 20 0 DBADRM C[C@@]1(CO)C[C@H](O)CN1S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001594032625 1016952764 /nfs/dbraw/zinc/95/27/64/1016952764.db2.gz RCEOSQWWVIFETH-UFBFGSQYSA-N -1 0 316.335 -0.714 20 0 DBADRM CC1([NH2+]Cc2n[nH]c(=O)[n-]2)CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001594060157 1016953194 /nfs/dbraw/zinc/95/31/94/1016953194.db2.gz KYIYRIRAKODQHJ-BDAKNGLRSA-N -1 0 323.353 -0.298 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1S(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001594032672 1016953765 /nfs/dbraw/zinc/95/37/65/1016953765.db2.gz RPUDUKJHZHJOII-MEVFXHMWSA-N -1 0 321.395 -0.223 20 0 DBADRM CC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CCN(C(=O)c2cnon2)CC1 ZINC001594052917 1016954168 /nfs/dbraw/zinc/95/41/68/1016954168.db2.gz PUHQGMFEKNTKNM-DTWKUNHWSA-N -1 0 322.321 -0.099 20 0 DBADRM C[C@@H](NC(=O)CNC(=O)c1ncccc1O)c1nn(C)cc1[O-] ZINC001420437806 1005260522 /nfs/dbraw/zinc/26/05/22/1005260522.db2.gz JHGXOGCGCVPGHJ-MRVPVSSYSA-N -1 0 319.321 -0.167 20 0 DBADRM CC1(c2ncc(C(=O)N[C@H](CO)C(=O)[O-])s2)OCCO1 ZINC001594081746 1016955183 /nfs/dbraw/zinc/95/51/83/1016955183.db2.gz QSHQXBYHLSKDOZ-ZCFIWIBFSA-N -1 0 302.308 -0.462 20 0 DBADRM C[C@@]1(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCC(=O)N1 ZINC001594027341 1016949284 /nfs/dbraw/zinc/94/92/84/1016949284.db2.gz GLGXCAKYGITOMC-JTQLQIEISA-N -1 0 302.312 -0.945 20 0 DBADRM CC1=C(C(=O)[O-])C[C@@H](CN2CCS(=O)(=O)C[C@H]2CCO)O1 ZINC001594104635 1016958728 /nfs/dbraw/zinc/95/87/28/1016958728.db2.gz OPPMXJGXVLITSH-MNOVXSKESA-N -1 0 319.379 -0.385 20 0 DBADRM CC1=C(C(=O)[O-])C[C@@H](CN2CCS(=O)(=O)C[C@@H]2CCO)O1 ZINC001594104637 1016958801 /nfs/dbraw/zinc/95/88/01/1016958801.db2.gz OPPMXJGXVLITSH-QWRGUYRKSA-N -1 0 319.379 -0.385 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)CCc1ocnc1C(=O)[O-] ZINC001594114170 1016958929 /nfs/dbraw/zinc/95/89/29/1016958929.db2.gz RWXLTZBOHVVIOL-MRVPVSSYSA-N -1 0 308.294 -0.066 20 0 DBADRM CC1=C(C(=O)NCCOCC(=O)[O-])[C@@H](C)n2ncnc2N1C ZINC001594093877 1016958951 /nfs/dbraw/zinc/95/89/51/1016958951.db2.gz PWYWESNKLFSIAT-SECBINFHSA-N -1 0 309.326 -0.220 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001594113842 1016958961 /nfs/dbraw/zinc/95/89/61/1016958961.db2.gz NSVRSEPEMUYOGQ-SECBINFHSA-N -1 0 320.305 -0.825 20 0 DBADRM CC1=NO[C@H](C(=O)NC2(CC(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001594119410 1016959415 /nfs/dbraw/zinc/95/94/15/1016959415.db2.gz RQTYFGCYWNHVDD-VIFPVBQESA-N -1 0 318.351 -0.311 20 0 DBADRM CC1=C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)S(=O)(=O)CCO1 ZINC001594093931 1016959829 /nfs/dbraw/zinc/95/98/29/1016959829.db2.gz RNJFUJSMALHCJZ-RGOKHQFPSA-N -1 0 315.347 -0.112 20 0 DBADRM CC1=C(C(=O)NCCC(=O)NCCC(=O)[O-])C(=O)OC1(C)C ZINC001594093634 1016959897 /nfs/dbraw/zinc/95/98/97/1016959897.db2.gz IAODZHXGZZUJJP-UHFFFAOYSA-N -1 0 312.322 -0.265 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001594127337 1016961092 /nfs/dbraw/zinc/96/10/92/1016961092.db2.gz YYCRCTJDUZPOAL-LPEHRKFASA-N -1 0 311.338 -0.798 20 0 DBADRM NC(=O)CCCC(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001420572830 1005306835 /nfs/dbraw/zinc/30/68/35/1005306835.db2.gz LKRITGVQDWOAIJ-VIFPVBQESA-N -1 0 310.358 -0.896 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001594128722 1016961948 /nfs/dbraw/zinc/96/19/48/1016961948.db2.gz LHXUUIBLAWTGAM-QMMMGPOBSA-N -1 0 305.290 -0.030 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001420600912 1005316694 /nfs/dbraw/zinc/31/66/94/1005316694.db2.gz KZHAOCQOLGTBSM-VHSXEESVSA-N -1 0 324.385 -0.685 20 0 DBADRM CC1=C(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)S(=O)(=O)CCO1 ZINC001594091185 1016955792 /nfs/dbraw/zinc/95/57/92/1016955792.db2.gz ZXQOKOKTMXLBSQ-GFCCVEGCSA-N -1 0 303.336 -0.014 20 0 DBADRM C[C@@]1(c2cccc(C(=O)N[C@H](CF)C(=O)[O-])c2)NC(=O)NC1=O ZINC001594074687 1016956016 /nfs/dbraw/zinc/95/60/16/1016956016.db2.gz YOATYWBLKZLQDV-OTYXRUKQSA-N -1 0 323.280 -0.106 20 0 DBADRM C[C@@]1(NS(=O)(=O)c2scnc2C(=O)[O-])CCNC1=O ZINC001594065697 1016956295 /nfs/dbraw/zinc/95/62/95/1016956295.db2.gz DRNPIRWPBRLKLE-SECBINFHSA-N -1 0 305.337 -0.602 20 0 DBADRM CC1=C(C(=O)N2CC[C@H](C(=O)[O-])C2)[C@H](C)n2nnnc2N1C ZINC001594090461 1016956430 /nfs/dbraw/zinc/95/64/30/1016956430.db2.gz NIZZKPYQSAGKLS-IUCAKERBSA-N -1 0 306.326 -0.109 20 0 DBADRM C[C@]12CN(C(=O)c3cc(C(=O)[O-])on3)C[C@]1(C)C(=O)NC2=O ZINC001594088769 1016956508 /nfs/dbraw/zinc/95/65/08/1016956508.db2.gz SHFJUAXSNPGKHD-CHWSQXEVSA-N -1 0 307.262 -0.502 20 0 DBADRM C[C@@]12CN(C(=O)C34CC(C(=O)[O-])(C3)C4)C[C@@]1(C)C(=O)NC2=O ZINC001594088764 1016956524 /nfs/dbraw/zinc/95/65/24/1016956524.db2.gz SGYYGKBQZBGBPG-HESLUPGFSA-N -1 0 306.318 -0.248 20 0 DBADRM C[C@]12CN(C(=O)c3csc(C(=O)[O-])n3)C[C@]1(C)C(=O)NC2=O ZINC001594087447 1016956699 /nfs/dbraw/zinc/95/66/99/1016956699.db2.gz GZXCSQUKJNFGTP-CHWSQXEVSA-N -1 0 323.330 -0.034 20 0 DBADRM CC1=C(C(=O)N2CC[C@](C)(C(=O)[O-])C2)S(=O)(=O)CCO1 ZINC001594091187 1016956707 /nfs/dbraw/zinc/95/67/07/1016956707.db2.gz ZXQOKOKTMXLBSQ-LBPRGKRZSA-N -1 0 303.336 -0.014 20 0 DBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@H]1CCO[C@H]1C(=O)[O-])CS2 ZINC001594085851 1016956854 /nfs/dbraw/zinc/95/68/54/1016956854.db2.gz QIGCLAASSRNUES-DUCCMJIMSA-N -1 0 314.363 -0.201 20 0 DBADRM CC1=C(C(=O)[O-])C[C@H](CN2CCS(=O)(=O)C[C@@H]2CCO)O1 ZINC001594104638 1016958299 /nfs/dbraw/zinc/95/82/99/1016958299.db2.gz OPPMXJGXVLITSH-WDEREUQCSA-N -1 0 319.379 -0.385 20 0 DBADRM CC1=C(C(=O)NCCn2cc(C(=O)[O-])nn2)C(=O)OC1(C)C ZINC001594093541 1016958346 /nfs/dbraw/zinc/95/83/46/1016958346.db2.gz DQIBEQBDBRDRNK-UHFFFAOYSA-N -1 0 308.294 -0.256 20 0 DBADRM CC1=NO[C@@H](C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001594113885 1016958680 /nfs/dbraw/zinc/95/86/80/1016958680.db2.gz PGWWTBAYHFQQKE-RISCZKNCSA-N -1 0 311.338 -0.461 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001496596650 1016963568 /nfs/dbraw/zinc/96/35/68/1016963568.db2.gz ZPHCRWZMSXZICL-NXEZZACHSA-N -1 0 322.365 -0.280 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@H](CCCO)C1 ZINC001594138081 1016964251 /nfs/dbraw/zinc/96/42/51/1016964251.db2.gz GVIXFCUMLYIGHT-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)N[C@H]1CCc2nnnn2CC1 ZINC001594148255 1016966911 /nfs/dbraw/zinc/96/69/11/1016966911.db2.gz AZZXLDRYQSDKAO-KXUCPTDWSA-N -1 0 308.342 -0.117 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC001594147503 1016967026 /nfs/dbraw/zinc/96/70/26/1016967026.db2.gz PYWXJFSCMHDCNQ-GMTAPVOTSA-N -1 0 318.395 -0.573 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001594145599 1016967823 /nfs/dbraw/zinc/96/78/23/1016967823.db2.gz UBHAOHJBHLBCJS-LNLATYFQSA-N -1 0 304.368 -0.220 20 0 DBADRM COc1cnc([C@@H]2CCCN2C(=O)COCC(=O)[O-])[nH]c1=O ZINC001594153352 1016968429 /nfs/dbraw/zinc/96/84/29/1016968429.db2.gz UKONWLFWSKKZHJ-QMMMGPOBSA-N -1 0 311.294 -0.045 20 0 DBADRM COc1ccnc(N2CCN(C(=O)[C@H](OC)C(=O)[O-])CC2)n1 ZINC001594150304 1016968596 /nfs/dbraw/zinc/96/85/96/1016968596.db2.gz HELVETIOJVIKRZ-JTQLQIEISA-N -1 0 310.310 -0.767 20 0 DBADRM COc1ccccc1[C@@H](O)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001594144251 1016969075 /nfs/dbraw/zinc/96/90/75/1016969075.db2.gz UKHGRWKXUSLMRP-GFCCVEGCSA-N -1 0 322.317 -0.516 20 0 DBADRM COc1ccnc(CNCCS(=O)(=O)CC(=O)[O-])c1F ZINC001594150256 1016969172 /nfs/dbraw/zinc/96/91/72/1016969172.db2.gz FCZQDVSFKGDMIZ-UHFFFAOYSA-N -1 0 306.315 -0.182 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001594164407 1016972629 /nfs/dbraw/zinc/97/26/29/1016972629.db2.gz VKVHGRKIIORSLX-WDEREUQCSA-N -1 0 318.395 -0.429 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594163802 1016972702 /nfs/dbraw/zinc/97/27/02/1016972702.db2.gz LARZRZBEXXXSSG-JTQLQIEISA-N -1 0 316.335 -0.088 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1nc2ncc(CCO)cn2n1 ZINC001594160952 1016971060 /nfs/dbraw/zinc/97/10/60/1016971060.db2.gz ASDJXTPDILJKBJ-PSASIEDQSA-N -1 0 319.321 -0.406 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)NCCCCCC(=O)[O-] ZINC001594163406 1016971929 /nfs/dbraw/zinc/97/19/29/1016971929.db2.gz CCLGHMVQOPYLSI-VIFPVBQESA-N -1 0 310.372 -0.664 20 0 DBADRM CS(=O)(=O)CCN1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001594164959 1016973262 /nfs/dbraw/zinc/97/32/62/1016973262.db2.gz HNAJCFMFBTUJCE-SNVBAGLBSA-N -1 0 318.395 -0.572 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(C(=O)[C@@H](C(=O)[O-])C2CC2)CCO1 ZINC001594165347 1016973555 /nfs/dbraw/zinc/97/35/55/1016973555.db2.gz PRWUNYRNAWNFRA-ZJUUUORDSA-N -1 0 305.352 -0.631 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CCC1 ZINC001594164653 1016973683 /nfs/dbraw/zinc/97/36/83/1016973683.db2.gz VRAQKYLCHKEWFZ-SECBINFHSA-N -1 0 320.367 -0.551 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(C(=O)CCCCC(=O)[O-])CCO1 ZINC001594165557 1016973977 /nfs/dbraw/zinc/97/39/77/1016973977.db2.gz UWRQVLYLSYOKJM-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cn1 ZINC001594174462 1016978773 /nfs/dbraw/zinc/97/87/73/1016978773.db2.gz WIHRLGCMRARLKV-QMMMGPOBSA-N -1 0 313.291 -0.347 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001594164326 1016974100 /nfs/dbraw/zinc/97/41/00/1016974100.db2.gz SFSCQWHUEMLTOD-HPOULIHZSA-N -1 0 317.319 -0.487 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001594164328 1016974267 /nfs/dbraw/zinc/97/42/67/1016974267.db2.gz SFSCQWHUEMLTOD-PKRMOACSSA-N -1 0 317.319 -0.487 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594165411 1016974355 /nfs/dbraw/zinc/97/43/55/1016974355.db2.gz SFCAAQKYUDVVQV-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCC(=O)[O-])CC1 ZINC001594164643 1016974373 /nfs/dbraw/zinc/97/43/73/1016974373.db2.gz VKVKITDDVIZLTE-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM CS(=O)(=O)CCN(C(=O)c1cnc(C(=O)[O-])cn1)C1CC1 ZINC001594165524 1016974397 /nfs/dbraw/zinc/97/43/97/1016974397.db2.gz STELHVHUKIEXJF-UHFFFAOYSA-N -1 0 313.335 -0.176 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCCC1 ZINC001594164478 1016974410 /nfs/dbraw/zinc/97/44/10/1016974410.db2.gz RGHPBUDMUAJTTF-VIFPVBQESA-N -1 0 318.351 -0.311 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCO1 ZINC001594165530 1016974537 /nfs/dbraw/zinc/97/45/37/1016974537.db2.gz SZJWIHMUGDCXPR-IVZWLZJFSA-N -1 0 305.352 -0.631 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001594170251 1016975373 /nfs/dbraw/zinc/97/53/73/1016975373.db2.gz JNIAAOSGPMXEQO-DCAQKATOSA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)NCCNC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001594169233 1016975481 /nfs/dbraw/zinc/97/54/81/1016975481.db2.gz FQDYQTYJKRERGG-NSCUHMNNSA-N -1 0 302.308 -0.344 20 0 DBADRM CS(=O)(=O)Cc1noc(CN2CCC(C(=O)[O-])CC2)n1 ZINC001594168288 1016976148 /nfs/dbraw/zinc/97/61/48/1016976148.db2.gz NVYSEADNMCGVGB-UHFFFAOYSA-N -1 0 303.340 -0.089 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)C2(CC(=O)[O-])CCOCC2)C1 ZINC001594170035 1016976287 /nfs/dbraw/zinc/97/62/87/1016976287.db2.gz HSXKSMHNMHARTN-UHFFFAOYSA-N -1 0 320.367 -0.982 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)OCCOCCC(=O)[O-])CC1 ZINC001594168280 1016976564 /nfs/dbraw/zinc/97/65/64/1016976564.db2.gz NMMQTJWISVXWGH-UHFFFAOYSA-N -1 0 323.367 -0.308 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001594167684 1016976773 /nfs/dbraw/zinc/97/67/73/1016976773.db2.gz FLAGOMXNCVFZRY-OUAUKWLOSA-N -1 0 318.395 -0.115 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NCCC(=O)[O-] ZINC001594170366 1016977228 /nfs/dbraw/zinc/97/72/28/1016977228.db2.gz LUDHPPOHKGLXAJ-DTWKUNHWSA-N -1 0 307.372 -0.522 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1nnnn1CC(=O)N1CCCCC1 ZINC001594172947 1016979786 /nfs/dbraw/zinc/97/97/86/1016979786.db2.gz IWXFYBMCIKDZJB-QWRGUYRKSA-N -1 0 322.369 -0.015 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)NCCOCC(=O)[O-])[C@@H](C)C(=O)N1C ZINC001594176843 1016980001 /nfs/dbraw/zinc/98/00/01/1016980001.db2.gz NCAFPMHLBKCBPB-UTLUCORTSA-N -1 0 301.343 -0.263 20 0 DBADRM C[C@H]1[C@H](C)N(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CCN1C ZINC001594177594 1016980038 /nfs/dbraw/zinc/98/00/38/1016980038.db2.gz ZYFFRHRBUGFEGQ-YUMQZZPRSA-N -1 0 302.356 -0.179 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCCOCC(=O)[O-] ZINC001594178173 1016980107 /nfs/dbraw/zinc/98/01/07/1016980107.db2.gz DIZWKHVMILNUEN-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001594186683 1016980833 /nfs/dbraw/zinc/98/08/33/1016980833.db2.gz VBLDBFPOLWRGNG-ZETCQYMHSA-N -1 0 315.355 -0.304 20 0 DBADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594179894 1016982036 /nfs/dbraw/zinc/98/20/36/1016982036.db2.gz SEYUKBCRTLOCCK-CVXSDGKDSA-N -1 0 316.379 -0.666 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)[C@@H](C)O1 ZINC001594201342 1016985130 /nfs/dbraw/zinc/98/51/30/1016985130.db2.gz HYGPRYDTKHTWFP-BBBLOLIVSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001594198289 1016985198 /nfs/dbraw/zinc/98/51/98/1016985198.db2.gz GITFNFFXMKNJMU-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM CC1CC(C(=O)NC[C@@H](O)CNc2ccnc(C(=O)[O-])n2)C1 ZINC001594203150 1016984177 /nfs/dbraw/zinc/98/41/77/1016984177.db2.gz DIQQOIWTWSCSKQ-RTBKNWGFSA-N -1 0 308.338 -0.468 20 0 DBADRM C[C@H]1CC(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001594199205 1016984371 /nfs/dbraw/zinc/98/43/71/1016984371.db2.gz UOFZQFSFGNZJQN-LURJTMIESA-N -1 0 302.312 -0.993 20 0 DBADRM C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)[C@@H]1CO ZINC001594212391 1016984580 /nfs/dbraw/zinc/98/45/80/1016984580.db2.gz MOJNVSPIXGDDRA-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CC(=O)N(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1 ZINC001594199479 1016984619 /nfs/dbraw/zinc/98/46/19/1016984619.db2.gz YXQRYBMIAPDZOJ-VHSXEESVSA-N -1 0 304.368 -0.614 20 0 DBADRM C[C@@H](O)C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC001594208587 1016984902 /nfs/dbraw/zinc/98/49/02/1016984902.db2.gz BUFGTUDBDNHHLW-JLLWLGSASA-N -1 0 306.318 -0.090 20 0 DBADRM CC1CC(C(=O)NC[C@H](CO)Nc2ccnc(C(=O)[O-])n2)C1 ZINC001594201252 1016984964 /nfs/dbraw/zinc/98/49/64/1016984964.db2.gz DUKLIOPTCSJIDJ-UDNWOFFPSA-N -1 0 308.338 -0.468 20 0 DBADRM CC1CC(C(=O)NC[C@@H](CO)Nc2ccnc(C(=O)[O-])n2)C1 ZINC001594201251 1016985353 /nfs/dbraw/zinc/98/53/53/1016985353.db2.gz DUKLIOPTCSJIDJ-RTBKNWGFSA-N -1 0 308.338 -0.468 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnnn2C)cc1)C(=O)[O-] ZINC001594199744 1016985555 /nfs/dbraw/zinc/98/55/55/1016985555.db2.gz LXTLOAAXHXYODM-SSDOTTSWSA-N -1 0 318.293 -0.595 20 0 DBADRM C[C@@H]1C[C@H](C)[C@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)O1 ZINC001594219855 1016986406 /nfs/dbraw/zinc/98/64/06/1016986406.db2.gz RZVJBBFUAUGRNF-TURJHENQSA-N -1 0 319.379 -0.196 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCN1S(C)(=O)=O ZINC001594221733 1016986479 /nfs/dbraw/zinc/98/64/79/1016986479.db2.gz LAJIGCQLAHUUJK-OPRDCNLKSA-N -1 0 319.383 -0.475 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001594225994 1016986900 /nfs/dbraw/zinc/98/69/00/1016986900.db2.gz WRDOIHVNRPAQFY-PTRXPTGYSA-N -1 0 304.368 -0.505 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)CCS1(=O)=O ZINC001594245946 1016990088 /nfs/dbraw/zinc/99/00/88/1016990088.db2.gz NVBCANZGMDATSV-ZETCQYMHSA-N -1 0 301.324 -0.623 20 0 DBADRM C[C@@H]1[C@H](NC(=O)c2cc(C(=O)[O-])nn2C)CCS1(=O)=O ZINC001594230902 1016988240 /nfs/dbraw/zinc/98/82/40/1016988240.db2.gz FGKWGSRCKUMMOL-RNFRBKRXSA-N -1 0 301.324 -0.576 20 0 DBADRM C[C@H]1C[C@H](C)N(C(=O)C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001594231840 1016990558 /nfs/dbraw/zinc/99/05/58/1016990558.db2.gz VYYNQMHVEOFNHP-UWVGGRQHSA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@H](NC(=O)COCC(=O)[O-])C(=O)NCCc1ccccc1 ZINC001594236127 1016991012 /nfs/dbraw/zinc/99/10/12/1016991012.db2.gz RDVNBJOASLADLE-NSHDSACASA-N -1 0 308.334 -0.049 20 0 DBADRM C[C@@H]1[C@H](O)CCN1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594231717 1016991174 /nfs/dbraw/zinc/99/11/74/1016991174.db2.gz VTPHYPITTQOQOI-GMTAPVOTSA-N -1 0 313.354 -0.383 20 0 DBADRM C[C@H](O)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC001594241717 1016991186 /nfs/dbraw/zinc/99/11/86/1016991186.db2.gz BUFGTUDBDNHHLW-ZMLRMANQSA-N -1 0 306.318 -0.090 20 0 DBADRM Cc1c(C(=O)Nc2c[nH]nc2C(=O)[O-])nnn1-c1ccn(C)n1 ZINC001594258763 1016992456 /nfs/dbraw/zinc/99/24/56/1016992456.db2.gz BPNWPONSFVWLKR-UHFFFAOYSA-N -1 0 316.281 -0.017 20 0 DBADRM CC1CC(NC(=O)C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)C1 ZINC001594250585 1016992888 /nfs/dbraw/zinc/99/28/88/1016992888.db2.gz VKJLTYCUEOCJMZ-MOENNCHZSA-N -1 0 311.382 -0.092 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594253743 1016993021 /nfs/dbraw/zinc/99/30/21/1016993021.db2.gz KKCCMUQHOYXSHH-KWQFWETISA-N -1 0 301.324 -0.560 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c2ncnn21 ZINC001594253188 1016994081 /nfs/dbraw/zinc/99/40/81/1016994081.db2.gz NAWNPVMEMYNKSI-RGOKHQFPSA-N -1 0 309.326 -0.239 20 0 DBADRM CC1CC(NC(=O)C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001594250636 1016994114 /nfs/dbraw/zinc/99/41/14/1016994114.db2.gz WBELJIFCMBRWRE-UDNWOFFPSA-N -1 0 321.337 -0.336 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c2ncnn21 ZINC001594249588 1016994195 /nfs/dbraw/zinc/99/41/95/1016994195.db2.gz OLGSFAXGVITTTA-MAUMQABQSA-N -1 0 307.310 -0.621 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c2ncnn21 ZINC001594249582 1016994238 /nfs/dbraw/zinc/99/42/38/1016994238.db2.gz OLGSFAXGVITTTA-HXFLIBJXSA-N -1 0 307.310 -0.621 20 0 DBADRM C[C@@H]1CCC[C@H](NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001594350593 1016999494 /nfs/dbraw/zinc/99/94/94/1016999494.db2.gz RNWXBQAVBASINN-RHYQMDGZSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)Cn2cc(C(=O)[O-])cn2)CS1(=O)=O ZINC001594313461 1016999847 /nfs/dbraw/zinc/99/98/47/1016999847.db2.gz JWWIESWQZWSESH-SCZZXKLOSA-N -1 0 315.351 -0.337 20 0 DBADRM C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594301669 1017000168 /nfs/dbraw/zinc/00/01/68/1017000168.db2.gz CLFDRVXBBHQTID-MXWKQRLJSA-N -1 0 318.395 -0.431 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)C2(C(=O)[O-])CCC2)CC1=O ZINC001594276378 1016996104 /nfs/dbraw/zinc/99/61/04/1016996104.db2.gz CNUWGKBNRLHBSO-BBBLOLIVSA-N -1 0 316.379 -0.078 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[C@@H](NC(=O)COCC(=O)[O-])C2)n1 ZINC001594269711 1016996531 /nfs/dbraw/zinc/99/65/31/1016996531.db2.gz WWXFEQAGQGYBNK-SECBINFHSA-N -1 0 310.310 -0.713 20 0 DBADRM C[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001594267606 1016996807 /nfs/dbraw/zinc/99/68/07/1016996807.db2.gz ZAPFQXINYNXVGZ-WCBMZHEXSA-N -1 0 324.337 -0.377 20 0 DBADRM C[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001594278096 1016997137 /nfs/dbraw/zinc/99/71/37/1016997137.db2.gz LOBOHHPFRMPEGX-OPRDCNLKSA-N -1 0 321.337 -0.478 20 0 DBADRM C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594301668 1016999092 /nfs/dbraw/zinc/99/90/92/1016999092.db2.gz CLFDRVXBBHQTID-GMTAPVOTSA-N -1 0 318.395 -0.431 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)O[C@H]1C(=O)[O-] ZINC001594314919 1016999411 /nfs/dbraw/zinc/99/94/11/1016999411.db2.gz SSSIDZDSRCDGII-ISUQUUIWSA-N -1 0 319.379 -0.054 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCO1 ZINC001594393247 1017001586 /nfs/dbraw/zinc/00/15/86/1017001586.db2.gz MWYWVXSCUXFYMQ-GMTAPVOTSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC001594379913 1017001613 /nfs/dbraw/zinc/00/16/13/1017001613.db2.gz YMFZYCRJPLYXBK-KOLCDFICSA-N -1 0 308.338 -0.220 20 0 DBADRM Cc1cccc([C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(=O)[O-])c1 ZINC001594391558 1017001751 /nfs/dbraw/zinc/00/17/51/1017001751.db2.gz GXTIKVXCBGJINP-QWRGUYRKSA-N -1 0 312.347 -0.071 20 0 DBADRM Cc1ccc2c(c1)nnn(CN1CCO[C@H](C(=O)[O-])C1)c2=O ZINC001594381535 1017001848 /nfs/dbraw/zinc/00/18/48/1017001848.db2.gz LVGDPDGZVIASBC-LBPRGKRZSA-N -1 0 304.306 -0.157 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCC(=O)NCCC(=O)[O-])[C@H]1C ZINC001594392607 1017002082 /nfs/dbraw/zinc/00/20/82/1017002082.db2.gz HUJDAFJIBDUYFK-ZJUUUORDSA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCC(=O)NCCC(=O)[O-])[C@@H]1C ZINC001594392604 1017002768 /nfs/dbraw/zinc/00/27/68/1017002768.db2.gz HUJDAFJIBDUYFK-NXEZZACHSA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@@H]1CCCN1C(=O)CCN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594389677 1017002986 /nfs/dbraw/zinc/00/29/86/1017002986.db2.gz UHDIHGXVXGKISO-MNOVXSKESA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)C1 ZINC001594377948 1017003028 /nfs/dbraw/zinc/00/30/28/1017003028.db2.gz FKXICNTUDQVQNU-GXSJLCMTSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001594378918 1017003522 /nfs/dbraw/zinc/00/35/22/1017003522.db2.gz PEFKUAMKVZQQBE-SCZZXKLOSA-N -1 0 321.337 -0.301 20 0 DBADRM Cc1cccc2nc(CNC(=O)C(=O)NCCC(=O)[O-])cn21 ZINC001594413299 1017004833 /nfs/dbraw/zinc/00/48/33/1017004833.db2.gz FKAKCOABHUONHL-UHFFFAOYSA-N -1 0 304.306 -0.150 20 0 DBADRM Cc1cccn2c(=O)c(C(=O)OCC(=O)NCC(=O)[O-])cnc12 ZINC001594420436 1017005073 /nfs/dbraw/zinc/00/50/73/1017005073.db2.gz JMTVLFLOZPTDCU-UHFFFAOYSA-N -1 0 319.273 -0.639 20 0 DBADRM C[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H](C(=O)[O-])C1 ZINC001594401083 1017005755 /nfs/dbraw/zinc/00/57/55/1017005755.db2.gz SFKFXLAZRCMEKX-UWVGGRQHSA-N -1 0 309.322 -0.362 20 0 DBADRM CC1CCN(C(=O)CN2CCC[C@@H]2C(=O)NCC(=O)[O-])CC1 ZINC001594401293 1017006289 /nfs/dbraw/zinc/00/62/89/1017006289.db2.gz YDUPCLRHHIZBBR-GFCCVEGCSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)[C@@H](C(=O)[O-])C1 ZINC001594411538 1017006578 /nfs/dbraw/zinc/00/65/78/1017006578.db2.gz PSUHMKKETLHXMX-YUSALJHKSA-N -1 0 311.338 -0.438 20 0 DBADRM C[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H](C(=O)[O-])C1 ZINC001594401085 1017007149 /nfs/dbraw/zinc/00/71/49/1017007149.db2.gz SFKFXLAZRCMEKX-ZJUUUORDSA-N -1 0 309.322 -0.362 20 0 DBADRM Cc1cccn2c(=O)c(C(=O)NCCOCC(=O)[O-])cnc12 ZINC001594418964 1017007368 /nfs/dbraw/zinc/00/73/68/1017007368.db2.gz UQCPJLKCYSFMSW-UHFFFAOYSA-N -1 0 305.290 -0.166 20 0 DBADRM C[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@H](C(=O)[O-])C1 ZINC001594395749 1017007531 /nfs/dbraw/zinc/00/75/31/1017007531.db2.gz DMQLCGOOQGNPKP-UWVGGRQHSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594439869 1017012409 /nfs/dbraw/zinc/01/24/09/1017012409.db2.gz XOJVRPNRRPVRDH-PRHODGIISA-N -1 0 306.322 -0.168 20 0 DBADRM Cc1cnc(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])s1 ZINC001594427926 1017008226 /nfs/dbraw/zinc/00/82/26/1017008226.db2.gz WEGVXPNAFMCGTN-MRVPVSSYSA-N -1 0 318.376 -0.296 20 0 DBADRM Cc1ccncc1CN(C)C(=O)C(=O)NCCOCC(=O)[O-] ZINC001594429535 1017008588 /nfs/dbraw/zinc/00/85/88/1017008588.db2.gz CPJXBLJFGXMJIT-UHFFFAOYSA-N -1 0 309.322 -0.434 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001594430286 1017009671 /nfs/dbraw/zinc/00/96/71/1017009671.db2.gz PIOWBIGDDUBJFH-MRVPVSSYSA-N -1 0 313.335 -0.122 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001594430311 1017010381 /nfs/dbraw/zinc/01/03/81/1017010381.db2.gz QOHFFQYMNKBFQN-MRVPVSSYSA-N -1 0 313.335 -0.265 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594425721 1017010597 /nfs/dbraw/zinc/01/05/97/1017010597.db2.gz KHHJBMKOAJYXFY-JTQLQIEISA-N -1 0 308.338 -0.076 20 0 DBADRM Cc1nc(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001594446510 1017011377 /nfs/dbraw/zinc/01/13/77/1017011377.db2.gz WAKSMWCDSDQAEO-CBAPKCEASA-N -1 0 319.325 -0.123 20 0 DBADRM CCN(C(C)=O)[C@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001428686495 1005994781 /nfs/dbraw/zinc/99/47/81/1005994781.db2.gz NNHLCRUMJSFBIK-SECBINFHSA-N -1 0 320.353 -0.556 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1occc1C(=O)[O-] ZINC001594439848 1017012215 /nfs/dbraw/zinc/01/22/15/1017012215.db2.gz XCTDESLMIPSFGY-POYBYMJQSA-N -1 0 302.308 -0.219 20 0 DBADRM CS[C@H](C)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001428732036 1006011036 /nfs/dbraw/zinc/01/10/36/1006011036.db2.gz WUTOEJPMURBYCC-PHDIDXHHSA-N -1 0 315.355 -0.731 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1(CF)CC1 ZINC001428740231 1006012457 /nfs/dbraw/zinc/01/24/57/1006012457.db2.gz KIQOMMSTTPYATQ-SSDOTTSWSA-N -1 0 315.305 -0.940 20 0 DBADRM C[C@@H](C(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001428739150 1006012859 /nfs/dbraw/zinc/01/28/59/1006012859.db2.gz HXYAOVAZWVYTGN-JGVFFNPUSA-N -1 0 311.342 -0.644 20 0 DBADRM COC[C@@H](OC)C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001440240269 1006021531 /nfs/dbraw/zinc/02/15/31/1006021531.db2.gz IKDAYYZVBSYAFE-VHSXEESVSA-N -1 0 313.358 -0.796 20 0 DBADRM COC[C@H](OC)C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001440240274 1006022586 /nfs/dbraw/zinc/02/25/86/1006022586.db2.gz IKDAYYZVBSYAFE-ZJUUUORDSA-N -1 0 313.358 -0.796 20 0 DBADRM C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001594462019 1017018400 /nfs/dbraw/zinc/01/84/00/1017018400.db2.gz CFJQEWSWDQUWMB-DTWKUNHWSA-N -1 0 321.337 -0.443 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)Cc1cnc[nH]1 ZINC001440248558 1006027978 /nfs/dbraw/zinc/02/79/78/1006027978.db2.gz WNWKECLYJHDGOX-SNVBAGLBSA-N -1 0 305.342 -0.491 20 0 DBADRM Cc1cnn([C@H]2CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C2)c1 ZINC001594434485 1017012745 /nfs/dbraw/zinc/01/27/45/1017012745.db2.gz HLAWKVSTKVNSKN-NSHDSACASA-N -1 0 308.338 -0.102 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)[C@H]1CCNC1=O ZINC001496711875 1017013865 /nfs/dbraw/zinc/01/38/65/1017013865.db2.gz SIFXYKIIYJHCKW-VIFPVBQESA-N -1 0 323.353 -0.862 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@H](C(=O)[O-])C3CC3)CC2)[nH]1 ZINC001594452442 1017014122 /nfs/dbraw/zinc/01/41/22/1017014122.db2.gz LLMMIAVVIJEPMO-GFCCVEGCSA-N -1 0 307.354 -0.132 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCSC[C@@H](C(=O)[O-])C2)CCO1 ZINC001594455470 1017014891 /nfs/dbraw/zinc/01/48/91/1017014891.db2.gz UHFCRPIFTMYCAZ-UWVGGRQHSA-N -1 0 316.379 -0.490 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)[C@@H](C)[C@H]1C ZINC001594453985 1017014908 /nfs/dbraw/zinc/01/49/08/1017014908.db2.gz KUUVHWOJSPCJGZ-WTPMCQDGSA-N -1 0 312.366 -0.217 20 0 DBADRM Cc1nc(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)n[nH]1 ZINC001594456172 1017015124 /nfs/dbraw/zinc/01/51/24/1017015124.db2.gz GCLZLIADIGKIRY-UHFFFAOYSA-N -1 0 302.312 -0.669 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C[C@]1(C)CO ZINC001594453348 1017015853 /nfs/dbraw/zinc/01/58/53/1017015853.db2.gz GRMCCYHFGYCZMQ-YEJVQYHQSA-N -1 0 312.366 -0.167 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N[C@H](C(=O)[O-])c2ccnn2C)cn1 ZINC001594468581 1017020695 /nfs/dbraw/zinc/02/06/95/1017020695.db2.gz MDSAIPJRONMPGU-JTQLQIEISA-N -1 0 318.293 -0.601 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cn1 ZINC001594468582 1017021692 /nfs/dbraw/zinc/02/16/92/1017021692.db2.gz MDSAIPJRONMPGU-SNVBAGLBSA-N -1 0 318.293 -0.601 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC([C@@H](O)C(=O)[O-])CC2)C[C@@H](C)O1 ZINC001594466046 1017022494 /nfs/dbraw/zinc/02/24/94/1017022494.db2.gz YERFXSPZYQMBTE-JTNHKYCSSA-N -1 0 314.382 -0.220 20 0 DBADRM Cc1nccc(CS(=O)(=O)CCS(=O)(=O)CC(=O)[O-])n1 ZINC001594469934 1017023030 /nfs/dbraw/zinc/02/30/30/1017023030.db2.gz UWUXZDIELCDSMW-UHFFFAOYSA-N -1 0 322.364 -0.801 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@H](C)CC(=O)[O-] ZINC001594468593 1017023152 /nfs/dbraw/zinc/02/31/52/1017023152.db2.gz MPSUFKBFMQOXDH-ZCFIWIBFSA-N -1 0 301.324 -0.370 20 0 DBADRM C[C@@H]1CN(C(=O)CN[C@H](C(=O)[O-])c2ccnn2C)C[C@H](C)O1 ZINC001594467733 1017023290 /nfs/dbraw/zinc/02/32/90/1017023290.db2.gz JIZCFJIOQKAILW-CWSCBRNRSA-N -1 0 310.354 -0.229 20 0 DBADRM C[C@@H]1CN(C(=O)CN[C@@H](C(=O)[O-])c2ccnn2C)C[C@H](C)O1 ZINC001594467734 1017023866 /nfs/dbraw/zinc/02/38/66/1017023866.db2.gz JIZCFJIOQKAILW-GBIKHYSHSA-N -1 0 310.354 -0.229 20 0 DBADRM Cc1nccn1CCCNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001594472007 1017024381 /nfs/dbraw/zinc/02/43/81/1017024381.db2.gz XTUQJXWQLJMOHM-SNVBAGLBSA-N -1 0 310.354 -0.123 20 0 DBADRM C[C@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])CCCO1 ZINC001594474148 1017025176 /nfs/dbraw/zinc/02/51/76/1017025176.db2.gz XPVXXYIVTOLHJO-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)[C@@H](C)CN1CCO ZINC001594471200 1017025636 /nfs/dbraw/zinc/02/56/36/1017025636.db2.gz UJLVCIZMRUEBRJ-MNOVXSKESA-N -1 0 310.354 -0.505 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001594482135 1017025776 /nfs/dbraw/zinc/02/57/76/1017025776.db2.gz FPPDBOQYPWSANL-NSHDSACASA-N -1 0 309.322 -0.192 20 0 DBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001594480847 1017026764 /nfs/dbraw/zinc/02/67/64/1017026764.db2.gz SIVMYQYUCVNUMZ-ZDUSSCGKSA-N -1 0 307.310 -0.520 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)CCN1CCC(=O)[O-] ZINC001594492964 1017027529 /nfs/dbraw/zinc/02/75/29/1017027529.db2.gz LICNSLMYUZFPFO-SECBINFHSA-N -1 0 309.322 -0.001 20 0 DBADRM Cc1nnc(Cn2nnc(C(=O)NC[C@@H](C)C(=O)[O-])c2C)o1 ZINC001594493238 1017027909 /nfs/dbraw/zinc/02/79/09/1017027909.db2.gz VVIRUMUZTIWTBP-ZCFIWIBFSA-N -1 0 308.298 -0.223 20 0 DBADRM Cc1nnc2n1CCN(CCS(=O)(=O)CC(=O)[O-])[C@@H]2C ZINC001594494427 1017028695 /nfs/dbraw/zinc/02/86/95/1017028695.db2.gz FWXRPCCCQMZRMB-MRVPVSSYSA-N -1 0 302.356 -0.537 20 0 DBADRM Cc1nnsc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594493655 1017028842 /nfs/dbraw/zinc/02/88/42/1017028842.db2.gz CHZZOJMOBYSSPX-LURJTMIESA-N -1 0 305.337 -0.830 20 0 DBADRM Cc1nnc(Cn2nnc(C(=O)N[C@@H](C)CC(=O)[O-])c2C)o1 ZINC001594493172 1017029114 /nfs/dbraw/zinc/02/91/14/1017029114.db2.gz SFPFZJUHRKRKJQ-LURJTMIESA-N -1 0 308.298 -0.081 20 0 DBADRM Cc1nn(CCS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c(=O)o1 ZINC001594488785 1017029227 /nfs/dbraw/zinc/02/92/27/1017029227.db2.gz JWGJKZCCFKHQQF-BDAKNGLRSA-N -1 0 319.339 -0.683 20 0 DBADRM O=C(c1ccc[nH]1)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001440540097 1006183476 /nfs/dbraw/zinc/18/34/76/1006183476.db2.gz KPBOBIKNOFHKKF-AWEZNQCLSA-N -1 0 320.353 -0.405 20 0 DBADRM O=C(c1ccco1)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001440544717 1006184046 /nfs/dbraw/zinc/18/40/46/1006184046.db2.gz YGXIHSWVRYRECK-AWEZNQCLSA-N -1 0 321.337 -0.140 20 0 DBADRM CC[C@H](C)C(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001440540483 1006184242 /nfs/dbraw/zinc/18/42/42/1006184242.db2.gz LXCJWVPSPRDTNI-IINYFYTJSA-N -1 0 311.386 -0.001 20 0 DBADRM Cc1nn(CCS(=O)(=O)N([C@@H](C)C(=O)[O-])C2CC2)c(=O)o1 ZINC001594489146 1017029469 /nfs/dbraw/zinc/02/94/69/1017029469.db2.gz SDIKJOUKJXFYPA-ZETCQYMHSA-N -1 0 319.339 -0.588 20 0 DBADRM Cc1nncn1CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594493972 1017029957 /nfs/dbraw/zinc/02/99/57/1017029957.db2.gz LCJJHNOFHVXCAE-JTQLQIEISA-N -1 0 309.326 -0.974 20 0 DBADRM Cc1nnc(N2CCN(C(=O)COCC(=O)[O-])CC2)s1 ZINC001594492590 1017030000 /nfs/dbraw/zinc/03/00/00/1017030000.db2.gz GFSGAZAHYGIFKD-UHFFFAOYSA-N -1 0 300.340 -0.404 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001440562995 1006201146 /nfs/dbraw/zinc/20/11/46/1006201146.db2.gz VNXKRIKULYDZRX-MEBBXXQBSA-N -1 0 323.397 -0.001 20 0 DBADRM C[C@@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])n2)CC(=O)N1C ZINC001594505167 1017033439 /nfs/dbraw/zinc/03/34/39/1017033439.db2.gz APBSMBHJXHLYBB-SECBINFHSA-N -1 0 306.322 -0.119 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)CCn2cccn2)c1[O-] ZINC001429169863 1006257928 /nfs/dbraw/zinc/25/79/28/1006257928.db2.gz OPNXWIRMGCVPSY-UHFFFAOYSA-N -1 0 320.353 -0.101 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)Cc2nonc2C)c1[O-] ZINC001429217461 1006291815 /nfs/dbraw/zinc/29/18/15/1006291815.db2.gz IUIPNAFNTSPYHH-UHFFFAOYSA-N -1 0 322.325 -0.454 20 0 DBADRM CN(CCNC(=O)CC1CCC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429213970 1006291875 /nfs/dbraw/zinc/29/18/75/1006291875.db2.gz XNRKQDSVDYYOSR-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)Nc1cncnc1 ZINC001594513806 1017039947 /nfs/dbraw/zinc/03/99/47/1017039947.db2.gz QBVJLFCZQRHTMC-JTQLQIEISA-N -1 0 321.337 -0.578 20 0 DBADRM C[C@H]1CN(CCO)CCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001594531274 1017044059 /nfs/dbraw/zinc/04/40/59/1017044059.db2.gz ISRJFBCBGJZYPU-JTQLQIEISA-N -1 0 306.384 -0.678 20 0 DBADRM C[C@H]1C(=O)N(CN(CCN2CCOCC2)CC(=O)[O-])C[C@H]1C ZINC001594532140 1017041233 /nfs/dbraw/zinc/04/12/33/1017041233.db2.gz UPZTUKARRPPPBO-CHWSQXEVSA-N -1 0 313.398 -0.223 20 0 DBADRM C[C@@H]1CN(Cc2cnon2)[C@@H](C(=O)[O-])CN1Cc1cnon1 ZINC001594548070 1017041483 /nfs/dbraw/zinc/04/14/83/1017041483.db2.gz QFEPGXRKTUEAEB-LDYMZIIASA-N -1 0 308.298 -0.388 20 0 DBADRM Cc1c(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)nnn1C ZINC001440900802 1006347131 /nfs/dbraw/zinc/34/71/31/1006347131.db2.gz FRUQHRRGIPLUJT-ZETCQYMHSA-N -1 0 308.346 -0.802 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C[C@@H]1CCS(=O)(=O)C1 ZINC001594521909 1017043639 /nfs/dbraw/zinc/04/36/39/1017043639.db2.gz LLGWDROHDUTLFE-NEPJUHHUSA-N -1 0 304.412 -0.098 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CC1(F)F)N(C)Cc1nc(=O)n(C)[nH]1 ZINC001440914276 1006359688 /nfs/dbraw/zinc/35/96/88/1006359688.db2.gz OQQNOPRDVAVFBX-YUMQZZPRSA-N -1 0 303.313 -0.300 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CC1(F)F)N(C)Cc1nc(=O)n(C)[nH]1 ZINC001440914272 1006359823 /nfs/dbraw/zinc/35/98/23/1006359823.db2.gz OQQNOPRDVAVFBX-SFYZADRCSA-N -1 0 303.313 -0.300 20 0 DBADRM C[C@@H]1CN(CCNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CCO1 ZINC001594527482 1017044806 /nfs/dbraw/zinc/04/48/06/1017044806.db2.gz KGJCDCZYVUPUOY-GRYCIOLGSA-N -1 0 315.370 -0.816 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CCN1CCO ZINC001594556825 1017045530 /nfs/dbraw/zinc/04/55/30/1017045530.db2.gz CGVZVMWGZWABCK-SECBINFHSA-N -1 0 318.351 -0.335 20 0 DBADRM C[C@H]1CN(Cc2nc[nH]n2)[C@@H](C(=O)[O-])CN1Cc1nc[nH]n1 ZINC001594548400 1017045723 /nfs/dbraw/zinc/04/57/23/1017045723.db2.gz UIJCUZXCEVGNTM-DTWKUNHWSA-N -1 0 306.330 -0.918 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCN1CCO ZINC001594554858 1017045984 /nfs/dbraw/zinc/04/59/84/1017045984.db2.gz HOMQMMFWLCOHRY-MXWKQRLJSA-N -1 0 306.384 -0.822 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2csnc2C(=O)[O-])CC(=O)N1C ZINC001594562736 1017046324 /nfs/dbraw/zinc/04/63/24/1017046324.db2.gz VRXNEVYCPVXDAH-ZCFIWIBFSA-N -1 0 319.364 -0.308 20 0 DBADRM CC(C)[C@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429397369 1006385707 /nfs/dbraw/zinc/38/57/07/1006385707.db2.gz XAOOYORPXJOZIN-RKDXNWHRSA-N -1 0 323.353 -0.237 20 0 DBADRM COc1nc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)co1 ZINC001440953473 1006385625 /nfs/dbraw/zinc/38/56/25/1006385625.db2.gz ISMKFRUTNHENTG-SSDOTTSWSA-N -1 0 310.314 -0.243 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CCN1CCO ZINC001594556826 1017046747 /nfs/dbraw/zinc/04/67/47/1017046747.db2.gz CGVZVMWGZWABCK-VIFPVBQESA-N -1 0 318.351 -0.335 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H](C)CN1C ZINC001594554357 1017047653 /nfs/dbraw/zinc/04/76/53/1017047653.db2.gz ADRQPEWRYRRRSX-HTQZYQBOSA-N -1 0 302.356 -0.179 20 0 DBADRM C[C@@H]1CN(C)[C@@H](C)CN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001594560921 1017048215 /nfs/dbraw/zinc/04/82/15/1017048215.db2.gz FERKWFBYKDWJHR-VHSXEESVSA-N -1 0 316.383 -0.319 20 0 DBADRM C[C@@H]1COCC[C@@H]1Cn1nnnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001594604864 1017049018 /nfs/dbraw/zinc/04/90/18/1017049018.db2.gz SNCVWXMIIDXPMG-MXWKQRLJSA-N -1 0 311.342 -0.365 20 0 DBADRM C[C@H]1COCCCN1C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001594603529 1017049035 /nfs/dbraw/zinc/04/90/35/1017049035.db2.gz KFCJUTLPJUQKHM-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H]1CO[C@@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)C1 ZINC001594587829 1017049289 /nfs/dbraw/zinc/04/92/89/1017049289.db2.gz SINZFRJYHHTEIG-KIKITERTSA-N -1 0 305.352 -0.585 20 0 DBADRM C[C@@H]1COCC[C@@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001594595829 1017049634 /nfs/dbraw/zinc/04/96/34/1017049634.db2.gz LOVIIVFBTMFGQC-KEPMVKOISA-N -1 0 319.379 -0.337 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@H]2CCOC[C@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001594602495 1017049829 /nfs/dbraw/zinc/04/98/29/1017049829.db2.gz DPEADQNLTNAOPJ-RCWTZXSCSA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@@H]1COCCN1CCN1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC001594607463 1017054062 /nfs/dbraw/zinc/05/40/62/1017054062.db2.gz RDYRUOFPFSWCRH-DBIOUOCHSA-N -1 0 311.338 -0.652 20 0 DBADRM COC[C@H](C)N1CC(CCO)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001441035120 1006436951 /nfs/dbraw/zinc/43/69/51/1006436951.db2.gz IXXRUUIEEZBHMW-VIFPVBQESA-N -1 0 312.370 -0.375 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001594648661 1017055184 /nfs/dbraw/zinc/05/51/84/1017055184.db2.gz LTWLJZCDYOMRBN-IVZWLZJFSA-N -1 0 323.367 -0.311 20 0 DBADRM CN(CCN(C)C(=O)Cc1cncn1C)Cc1n[nH]c(=O)[n-]1 ZINC001496816062 1017055649 /nfs/dbraw/zinc/05/56/49/1017055649.db2.gz BNWAGJAWLNWMAP-UHFFFAOYSA-N -1 0 307.358 -0.623 20 0 DBADRM O=C(CCCF)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001441060975 1006456615 /nfs/dbraw/zinc/45/66/15/1006456615.db2.gz WNJPUBHCSQYNJV-UHFFFAOYSA-N -1 0 301.322 -0.687 20 0 DBADRM C[C@H]1CO[C@@H](C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001594587576 1017050722 /nfs/dbraw/zinc/05/07/22/1017050722.db2.gz PKUPBNKLLNBGDU-RKDXNWHRSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCCS(=O)(=O)C[C@H]2C)O[C@H]1C(=O)[O-] ZINC001594610303 1017052508 /nfs/dbraw/zinc/05/25/08/1017052508.db2.gz OGPLYFSSUPDZGV-GWOFURMSSA-N -1 0 319.379 -0.100 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@H](O)[C@H](F)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597982454 1017225418 /nfs/dbraw/zinc/22/54/18/1017225418.db2.gz LJMAEHXGTNDIAJ-RGOKHQFPSA-N -1 0 302.302 -0.761 20 0 DBADRM C[C@@H]1NC(=O)[C@H](C)N(S(=O)(=O)C2(C(=O)[O-])CCC2)[C@H]1C ZINC001594629457 1017053020 /nfs/dbraw/zinc/05/30/20/1017053020.db2.gz IZUUZOOXASUTPY-CIUDSAMLSA-N -1 0 304.368 -0.079 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001594632575 1017053188 /nfs/dbraw/zinc/05/31/88/1017053188.db2.gz NXFVHADDKBPBLF-GZMMTYOYSA-N -1 0 300.311 -0.034 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001594610525 1017053279 /nfs/dbraw/zinc/05/32/79/1017053279.db2.gz QJBUYFDZSQHPHQ-MRVPVSSYSA-N -1 0 311.381 -0.558 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001594609352 1017053482 /nfs/dbraw/zinc/05/34/82/1017053482.db2.gz CJBCYCKTIJIWRE-GARJFASQSA-N -1 0 319.379 -0.098 20 0 DBADRM C/C=C/C[C@H](CO)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001594683698 1017057183 /nfs/dbraw/zinc/05/71/83/1017057183.db2.gz HDWUWNHTXGTCLV-KXMPLOMGSA-N -1 0 306.384 -0.056 20 0 DBADRM C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001594658643 1017057313 /nfs/dbraw/zinc/05/73/13/1017057313.db2.gz OLSFQXSUHRUOTE-QEYWKRMJSA-N -1 0 316.379 -0.709 20 0 DBADRM CCC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001594700348 1017057999 /nfs/dbraw/zinc/05/79/99/1017057999.db2.gz ULNBQKOXQKVGGK-SSDOTTSWSA-N -1 0 316.339 -0.603 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@H](C)C1CC1 ZINC001429649042 1006508971 /nfs/dbraw/zinc/50/89/71/1006508971.db2.gz IGOBHFVINKBLJJ-MRVPVSSYSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@@H]1Oc2ccccc2N(CC(=O)N[C@@](C)(CO)C(=O)[O-])C1=O ZINC001594655204 1017058565 /nfs/dbraw/zinc/05/85/65/1017058565.db2.gz OPMXABGXJPTJGR-VFZGTOFNSA-N -1 0 322.317 -0.248 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC001594755909 1017063163 /nfs/dbraw/zinc/06/31/63/1017063163.db2.gz AUDKOPZUSGBFIC-SNVBAGLBSA-N -1 0 306.384 -0.067 20 0 DBADRM CCN(CCNC(=O)Cn1cncn1)C(=O)c1n[nH]c(C)c1[O-] ZINC001429699772 1006529655 /nfs/dbraw/zinc/52/96/55/1006529655.db2.gz DYVYUHXDDXNVBD-UHFFFAOYSA-N -1 0 321.341 -0.706 20 0 DBADRM CCC(=O)NCc1nc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc(=O)[nH]1 ZINC001594712647 1017060219 /nfs/dbraw/zinc/06/02/19/1017060219.db2.gz WJYHBJQUSBKWEN-DTWKUNHWSA-N -1 0 322.321 -0.455 20 0 DBADRM CCC(=O)N1CCN(CCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001594705341 1017060706 /nfs/dbraw/zinc/06/07/06/1017060706.db2.gz FKQNXTHUCGLRCQ-NEPJUHHUSA-N -1 0 311.382 -0.280 20 0 DBADRM CCC(=O)N1CCN(CCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001594705343 1017060886 /nfs/dbraw/zinc/06/08/86/1017060886.db2.gz FKQNXTHUCGLRCQ-NWDGAFQWSA-N -1 0 311.382 -0.280 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001594706085 1017061259 /nfs/dbraw/zinc/06/12/59/1017061259.db2.gz JQYRSGBTUCBMAP-BBBLOLIVSA-N -1 0 314.338 -0.234 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCCN1C(=O)C(F)F ZINC001429749613 1006548799 /nfs/dbraw/zinc/54/87/99/1006548799.db2.gz OTXNPZOHCUKXSB-LURJTMIESA-N -1 0 319.268 -0.938 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001594706086 1017061878 /nfs/dbraw/zinc/06/18/78/1017061878.db2.gz JQYRSGBTUCBMAP-KXUCPTDWSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC001594741141 1017062321 /nfs/dbraw/zinc/06/23/21/1017062321.db2.gz VJPDFRCRBCHIJW-SNVBAGLBSA-N -1 0 306.384 -0.115 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC001594757887 1017062631 /nfs/dbraw/zinc/06/26/31/1017062631.db2.gz SVSNWSAVTKPMHA-ZJUUUORDSA-N -1 0 321.399 -0.516 20 0 DBADRM CO[C@H](C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C(C)C ZINC001441289015 1006565086 /nfs/dbraw/zinc/56/50/86/1006565086.db2.gz SQROVHSOFZMKFZ-KQXIARHKSA-N -1 0 323.397 -0.025 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 ZINC001594745568 1017063047 /nfs/dbraw/zinc/06/30/47/1017063047.db2.gz VPEANHQYVNOREN-SNVBAGLBSA-N -1 0 321.399 -0.516 20 0 DBADRM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001594868576 1017067568 /nfs/dbraw/zinc/06/75/68/1017067568.db2.gz YFHXRUYVLQHWNY-IMSYWVGJSA-N -1 0 318.395 -0.116 20 0 DBADRM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001594867849 1017067682 /nfs/dbraw/zinc/06/76/82/1017067682.db2.gz UJXFMAIOBWKOMT-HRDYMLBCSA-N -1 0 304.368 -0.504 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001594865444 1017067981 /nfs/dbraw/zinc/06/79/81/1017067981.db2.gz HCCWKLWYLKOIKV-IVZWLZJFSA-N -1 0 308.338 -0.113 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCN(C(COC)COC)CC1 ZINC001594745381 1017064107 /nfs/dbraw/zinc/06/41/07/1017064107.db2.gz QKOWECMCIMFSKA-GFCCVEGCSA-N -1 0 302.371 -0.097 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(=O)[nH]2)C1 ZINC001594748534 1017064492 /nfs/dbraw/zinc/06/44/92/1017064492.db2.gz KEBRJSCJQHUMRV-RKDXNWHRSA-N -1 0 324.337 -0.708 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@H]1CCCC(=O)N1)C(=O)[O-] ZINC001594905580 1017069909 /nfs/dbraw/zinc/06/99/09/1017069909.db2.gz SLMXMGQBCSFMNJ-SBMIAAHKSA-N -1 0 314.338 -0.186 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001594897937 1017069685 /nfs/dbraw/zinc/06/96/85/1017069685.db2.gz TVNIUHJJDWCCOH-OYNCUSHFSA-N -1 0 323.367 -0.422 20 0 DBADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cn(CC(N)=O)nn1 ZINC001594785929 1017065487 /nfs/dbraw/zinc/06/54/87/1017065487.db2.gz OOTASPYIBCBCKB-CQSZACIVSA-N -1 0 323.353 -0.131 20 0 DBADRM CCC(C)(C)NC(=O)CN1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001594806055 1017065582 /nfs/dbraw/zinc/06/55/82/1017065582.db2.gz PDEDDVIUDYNCTC-GHMZBOCLSA-N -1 0 311.382 -0.188 20 0 DBADRM CC[C@H](C(=O)OC)C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001594774521 1017065720 /nfs/dbraw/zinc/06/57/20/1017065720.db2.gz GWEBLOIGFVCVGN-RKDXNWHRSA-N -1 0 301.295 -0.196 20 0 DBADRM CC[C@@](C)(NC(=O)C1CCN(S(=O)(=O)NC)CC1)C(=O)[O-] ZINC001594836682 1017066098 /nfs/dbraw/zinc/06/60/98/1017066098.db2.gz DJLKBGQCSCDOHA-GFCCVEGCSA-N -1 0 321.399 -0.468 20 0 DBADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC001594816546 1017066639 /nfs/dbraw/zinc/06/66/39/1017066639.db2.gz HLGOCMPIMZKPCK-BXKDBHETSA-N -1 0 321.399 -0.339 20 0 DBADRM CCCCC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001430114248 1006691186 /nfs/dbraw/zinc/69/11/86/1006691186.db2.gz CPLWNLNLAHASOK-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC001441552758 1006718725 /nfs/dbraw/zinc/71/87/25/1006718725.db2.gz ZWKGGXSUAFTDBE-JTQLQIEISA-N -1 0 323.353 -0.546 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@H]1C[C@H](NC(=O)C2CC2)C1 ZINC001430157999 1006724963 /nfs/dbraw/zinc/72/49/63/1006724963.db2.gz JMWUSOWIHAWZBP-KYZUINATSA-N -1 0 321.337 -0.611 20 0 DBADRM CCC(=O)NCC(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001441567035 1006728148 /nfs/dbraw/zinc/72/81/48/1006728148.db2.gz QUWGFPGFFNKCFM-JTQLQIEISA-N -1 0 324.385 -0.635 20 0 DBADRM Cc1ncoc1CN[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001441679292 1006803622 /nfs/dbraw/zinc/80/36/22/1006803622.db2.gz BKYPFZOYUYQNHV-VIFPVBQESA-N -1 0 309.326 -0.399 20 0 DBADRM CC[C@H](C)C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001430328969 1006816892 /nfs/dbraw/zinc/81/68/92/1006816892.db2.gz BPYDUQAUONTSPI-ZETCQYMHSA-N -1 0 309.326 -0.483 20 0 DBADRM C[C@@H](CNC(=O)CCC1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001430468103 1006866314 /nfs/dbraw/zinc/86/63/14/1006866314.db2.gz PAXVPLSVCTZABX-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@H](CNC(=O)CCC1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001430469271 1006867022 /nfs/dbraw/zinc/86/70/22/1006867022.db2.gz TYJPGMSCMQPKCM-SECBINFHSA-N -1 0 322.365 -0.089 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)Cc2ccnn2C)c1[O-] ZINC001430484072 1006872342 /nfs/dbraw/zinc/87/23/42/1006872342.db2.gz YZHZAYOYKIJCTP-MRVPVSSYSA-N -1 0 320.353 -0.366 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cc(C(=O)[O-])no2)O1 ZINC001598117114 1017233695 /nfs/dbraw/zinc/23/36/95/1017233695.db2.gz HZRXHLZRWFSHEQ-APPZFPTMSA-N -1 0 311.294 -0.262 20 0 DBADRM CN(C(=O)c1ncccc1O)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598104885 1017233910 /nfs/dbraw/zinc/23/39/10/1017233910.db2.gz WAPWNIHYPGPMLQ-UWVGGRQHSA-N -1 0 319.317 -0.209 20 0 DBADRM CN(C(=O)c1cnn(C)c1N)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598098544 1017234282 /nfs/dbraw/zinc/23/42/82/1017234282.db2.gz PKVZPQZNCKPGOA-DTWKUNHWSA-N -1 0 321.337 -0.994 20 0 DBADRM CN(C(=O)c1cn(C)c(=O)[nH]1)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598096347 1017234589 /nfs/dbraw/zinc/23/45/89/1017234589.db2.gz NWXSTLATVNFAOQ-DTWKUNHWSA-N -1 0 322.321 -0.871 20 0 DBADRM CN(C)C1(CS(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)CC1 ZINC001598184202 1017242282 /nfs/dbraw/zinc/24/22/82/1017242282.db2.gz KKSVSYDIOGDRAY-UHFFFAOYSA-N -1 0 306.384 -0.678 20 0 DBADRM CN(C)C(=O)C1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001598120410 1017235285 /nfs/dbraw/zinc/23/52/85/1017235285.db2.gz XMRCHZXZCKVPOC-UHFFFAOYSA-N -1 0 318.395 -0.019 20 0 DBADRM CN(C)C(=O)CCCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598124920 1017235830 /nfs/dbraw/zinc/23/58/30/1017235830.db2.gz RYHWDRZUWXUMHX-JTQLQIEISA-N -1 0 313.354 -0.706 20 0 DBADRM CN(C)C(=O)CNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598130378 1017236456 /nfs/dbraw/zinc/23/64/56/1017236456.db2.gz XQWCXELBAVOSRV-QMMMGPOBSA-N -1 0 310.314 -0.979 20 0 DBADRM CN(C)C(=O)CCCC(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001598124219 1017236925 /nfs/dbraw/zinc/23/69/25/1017236925.db2.gz FQWRJPLNGPHURK-JTQLQIEISA-N -1 0 314.338 -0.136 20 0 DBADRM CN(C)C(=O)O[C@H]1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001598146684 1017238150 /nfs/dbraw/zinc/23/81/50/1017238150.db2.gz UPYIHCWRODOHPW-QMMMGPOBSA-N -1 0 311.298 -0.725 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)n1 ZINC001598134862 1017238544 /nfs/dbraw/zinc/23/85/44/1017238544.db2.gz DVOJWZGGBOEQMJ-SECBINFHSA-N -1 0 322.325 -0.339 20 0 DBADRM CN(C)C(=O)NCCN(C)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001598140478 1017239364 /nfs/dbraw/zinc/23/93/64/1017239364.db2.gz UFWSEXVJBIHMEH-UHFFFAOYSA-N -1 0 312.330 -0.297 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)N[C@H]2CC=C(C(=O)[O-])C2)n1 ZINC001598134863 1017239388 /nfs/dbraw/zinc/23/93/88/1017239388.db2.gz DVOJWZGGBOEQMJ-VIFPVBQESA-N -1 0 322.325 -0.339 20 0 DBADRM O=C(NC[C@H]1COCCO1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001441884788 1006934722 /nfs/dbraw/zinc/93/47/22/1006934722.db2.gz ODIZYUCUZPHXPI-NSHDSACASA-N -1 0 320.305 -0.589 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])nn1 ZINC001598133846 1017239737 /nfs/dbraw/zinc/23/97/37/1017239737.db2.gz FIRDMOUETGSNIH-RKDXNWHRSA-N -1 0 309.326 -0.651 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@H](CC(F)F)C(=O)[O-])nn1 ZINC001598134289 1017240000 /nfs/dbraw/zinc/24/00/00/1017240000.db2.gz NDKIFSYPRTYZPR-ZCFIWIBFSA-N -1 0 319.268 -0.796 20 0 DBADRM CN(C)C(=O)N[C@H]1CCCN(Cc2cn(CC(=O)[O-])nn2)C1 ZINC001598139687 1017240034 /nfs/dbraw/zinc/24/00/34/1017240034.db2.gz ZONGQIRBQJZVMZ-JTQLQIEISA-N -1 0 310.358 -0.402 20 0 DBADRM CN(C)C1(CS(=O)(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)CC1 ZINC001598184447 1017241220 /nfs/dbraw/zinc/24/12/20/1017241220.db2.gz TUGWATMJLAGJKH-SNVBAGLBSA-N -1 0 316.383 -0.441 20 0 DBADRM CN(C)C1(CS(=O)(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)CC1 ZINC001598184561 1017241479 /nfs/dbraw/zinc/24/14/79/1017241479.db2.gz XRSQSOWWSJGERG-QWRGUYRKSA-N -1 0 320.411 -0.263 20 0 DBADRM CN(C)C1(CS(=O)(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)CC1 ZINC001598184446 1017242557 /nfs/dbraw/zinc/24/25/57/1017242557.db2.gz TUGWATMJLAGJKH-JTQLQIEISA-N -1 0 316.383 -0.441 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)CCn2ccnn2)C1 ZINC001597998500 1017226870 /nfs/dbraw/zinc/22/68/70/1017226870.db2.gz OAHDFYASXJSVIB-MNOVXSKESA-N -1 0 321.337 -0.942 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)Cn2ccnc2)C1 ZINC001597997740 1017226878 /nfs/dbraw/zinc/22/68/78/1017226878.db2.gz ALPVTNHHVSBZDN-MNOVXSKESA-N -1 0 306.322 -0.727 20 0 DBADRM CN(C(=O)C1(n2cnnn2)CC1)c1nc(CC(=O)[O-])cs1 ZINC001597995750 1017227297 /nfs/dbraw/zinc/22/72/97/1017227297.db2.gz AIJLVWMSFPZTFH-UHFFFAOYSA-N -1 0 308.323 -0.091 20 0 DBADRM CN(C(=O)CSCC(N)=O)[C@H](COC1CCC1)C(=O)[O-] ZINC001598033589 1017228226 /nfs/dbraw/zinc/22/82/26/1017228226.db2.gz WGOSNRIXVLYIHO-SECBINFHSA-N -1 0 304.368 -0.314 20 0 DBADRM CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598034882 1017228852 /nfs/dbraw/zinc/22/88/52/1017228852.db2.gz XNKCPTDBMMGWDE-IUCAKERBSA-N -1 0 313.310 -0.935 20 0 DBADRM CN(C(=O)CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1)C1CC1 ZINC001598023155 1017229154 /nfs/dbraw/zinc/22/91/54/1017229154.db2.gz SEZIIFXKZWFDCD-NWDGAFQWSA-N -1 0 309.366 -0.528 20 0 DBADRM CN(C(=O)C1CCOCC1)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598004092 1017229517 /nfs/dbraw/zinc/22/95/17/1017229517.db2.gz WFRAFRKNEKAXES-RYUDHWBXSA-N -1 0 310.350 -0.197 20 0 DBADRM CN(C(=O)C[C@@H]1CC(=O)NC1=O)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598008612 1017229532 /nfs/dbraw/zinc/22/95/32/1017229532.db2.gz YBHACUXNRCOOGC-WPRPVWTQSA-N -1 0 312.322 -0.480 20 0 DBADRM CN(C(=O)CCn1ncn(C)c1=O)c1ncc(C(=O)[O-])s1 ZINC001598019204 1017229718 /nfs/dbraw/zinc/22/97/18/1017229718.db2.gz NGLMAINIHPBOQM-UHFFFAOYSA-N -1 0 311.323 -0.210 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)CCc2cn[nH]c2)C1 ZINC001597998938 1017229837 /nfs/dbraw/zinc/22/98/37/1017229837.db2.gz YAWFNGLJNDIAOE-VXGBXAGGSA-N -1 0 320.349 -0.268 20 0 DBADRM CN(C(=O)C1CCOCC1)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598004091 1017229896 /nfs/dbraw/zinc/22/98/96/1017229896.db2.gz WFRAFRKNEKAXES-NWDGAFQWSA-N -1 0 310.350 -0.197 20 0 DBADRM CN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598002272 1017229993 /nfs/dbraw/zinc/22/99/93/1017229993.db2.gz BGELBHPBIOXZFX-KOLCDFICSA-N -1 0 319.379 -0.098 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@H]2CCC(=O)N2C)c1[O-] ZINC001430729410 1007016773 /nfs/dbraw/zinc/01/67/73/1007016773.db2.gz JHSCWYXKRHXIMZ-VXNVDRBHSA-N -1 0 323.353 -0.721 20 0 DBADRM C[C@H](CCNC(=O)CC1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001430938691 1007075408 /nfs/dbraw/zinc/07/54/08/1007075408.db2.gz COJLBSKVRVLEAU-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM COCC(=O)NC[C@H](C)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001430945917 1007078103 /nfs/dbraw/zinc/07/81/03/1007078103.db2.gz FYJDTMLJIYYOII-VIFPVBQESA-N -1 0 321.337 -0.849 20 0 DBADRM CCC(=O)NC[C@@H](C)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001430948925 1007082904 /nfs/dbraw/zinc/08/29/04/1007082904.db2.gz SDQKSZZPBSRMRJ-SECBINFHSA-N -1 0 305.338 -0.085 20 0 DBADRM C[C@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1=CCCC1 ZINC001431069183 1007171708 /nfs/dbraw/zinc/17/17/08/1007171708.db2.gz XHRPOJALMLKUCR-SECBINFHSA-N -1 0 323.353 -0.189 20 0 DBADRM C[C@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(F)F ZINC001431068237 1007174615 /nfs/dbraw/zinc/17/46/15/1007174615.db2.gz VFWLGOAZJYTIHA-ZCFIWIBFSA-N -1 0 321.284 -0.645 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001431124405 1007195412 /nfs/dbraw/zinc/19/54/12/1007195412.db2.gz AUJQKYOUUAQPFC-VHSXEESVSA-N -1 0 317.349 -0.133 20 0 DBADRM CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)c1cnn(C)n1 ZINC001442120175 1007241612 /nfs/dbraw/zinc/24/16/12/1007241612.db2.gz VCFWRDZBOPKNTB-UHFFFAOYSA-N -1 0 322.373 -0.379 20 0 DBADRM C[C@@H](C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001431180506 1007244509 /nfs/dbraw/zinc/24/45/09/1007244509.db2.gz HDKWZRCBECFGMU-MRVPVSSYSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2cnsn2)c1[O-] ZINC001431193828 1007258675 /nfs/dbraw/zinc/25/86/75/1007258675.db2.gz IBSHCHLKOMZESN-UHFFFAOYSA-N -1 0 310.339 -0.223 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2cnc(C)n2C)c1[O-] ZINC001431196263 1007262413 /nfs/dbraw/zinc/26/24/13/1007262413.db2.gz PVNYFSHVOCPNQN-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)C[C@H]2COC(=O)C2)c1[O-] ZINC001431197112 1007263877 /nfs/dbraw/zinc/26/38/77/1007263877.db2.gz UFJKEYVAIUFSRC-SECBINFHSA-N -1 0 324.337 -0.435 20 0 DBADRM CN(CCNC(=O)c1cnc[nH]c1=O)C(=O)c1ccncn1 ZINC001431322846 1007347970 /nfs/dbraw/zinc/34/79/70/1007347970.db2.gz OFGVDOIJYIZNHL-UHFFFAOYSA-N -1 0 302.294 -0.526 20 0 DBADRM CCO[C@H](C)C(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001442368751 1007379991 /nfs/dbraw/zinc/37/99/91/1007379991.db2.gz SBHRTJWHGKXNKF-LLVKDONJSA-N -1 0 321.381 -0.004 20 0 DBADRM CO[C@H](C)CC(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001442373274 1007382504 /nfs/dbraw/zinc/38/25/04/1007382504.db2.gz DVRZQGWRERPACM-LLVKDONJSA-N -1 0 321.381 -0.004 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001442375376 1007385447 /nfs/dbraw/zinc/38/54/47/1007385447.db2.gz IKMRSWAIGPMVTD-UHFFFAOYSA-N -1 0 323.400 -0.954 20 0 DBADRM CC[C@@]1(C)C[C@H]1C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431398591 1007395063 /nfs/dbraw/zinc/39/50/63/1007395063.db2.gz WWOFYYYSZUTEBW-RTHLEPHNSA-N -1 0 323.353 -0.093 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1=COCCC1 ZINC001431398934 1007396099 /nfs/dbraw/zinc/39/60/99/1007396099.db2.gz ZNKRDGWNWXUKRX-UHFFFAOYSA-N -1 0 323.309 -0.835 20 0 DBADRM O=C(NC[C@H](O)CNC(=O)C1CC1)c1ccc2oc(=O)nc-2[n-]1 ZINC001431467265 1007460873 /nfs/dbraw/zinc/46/08/73/1007460873.db2.gz RZXSUSUUJTZZIA-MRVPVSSYSA-N -1 0 320.305 -0.455 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@@H](F)C(C)C)c1[O-] ZINC001431514742 1007558361 /nfs/dbraw/zinc/55/83/61/1007558361.db2.gz PUTGKIYGTJEHJG-BDAKNGLRSA-N -1 0 316.333 -0.375 20 0 DBADRM CCN(CCNC(=O)c1nccn1CC)Cc1n[nH]c(=O)[n-]1 ZINC001442650394 1007596602 /nfs/dbraw/zinc/59/66/02/1007596602.db2.gz LVPOKKOJIHXSPY-UHFFFAOYSA-N -1 0 307.358 -0.021 20 0 DBADRM CCN(CCNC(=O)[C@H]1CCCC(=O)N1C)Cc1n[nH]c(=O)[n-]1 ZINC001442750387 1007644111 /nfs/dbraw/zinc/64/41/11/1007644111.db2.gz FWRWQHRICAHTSB-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM O=C(C[C@H]1CCC(=O)N1)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001442826840 1007674661 /nfs/dbraw/zinc/67/46/61/1007674661.db2.gz YOZWSLWRIHGVEG-NXEZZACHSA-N -1 0 322.369 -0.740 20 0 DBADRM COCCn1ccc(NC(=O)CCCn2c(=O)[n-][nH]c2=O)n1 ZINC001442847335 1007683655 /nfs/dbraw/zinc/68/36/55/1007683655.db2.gz OONIHLJNWGQFTD-UHFFFAOYSA-N -1 0 310.314 -0.049 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)Cc2cncnc2)c1[O-] ZINC001431798996 1007716672 /nfs/dbraw/zinc/71/66/72/1007716672.db2.gz MBTDHUDNSDORKL-QMMMGPOBSA-N -1 0 318.337 -0.309 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001598259790 1017249260 /nfs/dbraw/zinc/24/92/60/1017249260.db2.gz OHMHPMKGWFSJNO-UHFFFAOYSA-N -1 0 308.356 -0.982 20 0 DBADRM CCCN(CCNC(=O)CCCn1c(=O)[n-][nH]c1=O)C(C)=O ZINC001431821482 1007722233 /nfs/dbraw/zinc/72/22/33/1007722233.db2.gz XQZCOQLGZITRAP-UHFFFAOYSA-N -1 0 313.358 -0.156 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001598283864 1017255369 /nfs/dbraw/zinc/25/53/69/1017255369.db2.gz TWYMVRYKNIBDNA-ASCAZGACSA-N -1 0 313.401 -0.352 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001598261778 1017251320 /nfs/dbraw/zinc/25/13/20/1017251320.db2.gz KKAGJQYFHQNOFL-VHSXEESVSA-N -1 0 322.383 -0.736 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])o1 ZINC001598270457 1017252078 /nfs/dbraw/zinc/25/20/78/1017252078.db2.gz CZUNMCSJQGYNFS-WPRPVWTQSA-N -1 0 318.351 -0.450 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](F)C(=O)[O-])cn1 ZINC001598270086 1017252659 /nfs/dbraw/zinc/25/26/59/1017252659.db2.gz HXXOEDHFFRXEKC-QMMMGPOBSA-N -1 0 319.314 -0.516 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H](O)CC(=O)[O-])co1 ZINC001598269832 1017253140 /nfs/dbraw/zinc/25/31/40/1017253140.db2.gz OTGYPVLKYBWOEA-QMMMGPOBSA-N -1 0 320.323 -0.905 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC001598283865 1017253787 /nfs/dbraw/zinc/25/37/87/1017253787.db2.gz TWYMVRYKNIBDNA-CVJBHZAOSA-N -1 0 313.401 -0.352 20 0 DBADRM CN(C)c1cc(C(=O)NCC(=O)NCC(=O)[O-])cc(Cl)n1 ZINC001598288260 1017254063 /nfs/dbraw/zinc/25/40/63/1017254063.db2.gz PYILEUBYEYSFSF-UHFFFAOYSA-N -1 0 314.729 -0.268 20 0 DBADRM O=C(CCc1nnn[n-]1)NCCNC(=O)Cc1cccc(F)c1 ZINC001443018662 1007764466 /nfs/dbraw/zinc/76/44/66/1007764466.db2.gz KSJXMWWMYNPGKP-UHFFFAOYSA-N -1 0 320.328 -0.254 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)c1cccnn1 ZINC001443039045 1007773238 /nfs/dbraw/zinc/77/32/38/1007773238.db2.gz ABOCDKCSAODNDH-UHFFFAOYSA-N -1 0 303.326 -0.305 20 0 DBADRM CC(=O)N[C@@H](CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001443062797 1007778955 /nfs/dbraw/zinc/77/89/55/1007778955.db2.gz GFXLJZLAKJCJGN-JTQLQIEISA-N -1 0 313.358 -0.302 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1C(=O)C1CCCC1 ZINC001432092842 1007811070 /nfs/dbraw/zinc/81/10/70/1007811070.db2.gz ZJWKHIBKCNGYOM-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3cnns3)CC2)c1[O-] ZINC001432153497 1007827943 /nfs/dbraw/zinc/82/79/43/1007827943.db2.gz QJBDTLDHXQNJSG-UHFFFAOYSA-N -1 0 322.350 -0.032 20 0 DBADRM COC(=O)c1ccnc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1 ZINC001443447132 1007848428 /nfs/dbraw/zinc/84/84/28/1007848428.db2.gz FKQJMNPRBRXCKV-JTQLQIEISA-N -1 0 318.293 -0.405 20 0 DBADRM COC(=O)c1ccnc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1 ZINC001443447134 1007849132 /nfs/dbraw/zinc/84/91/32/1007849132.db2.gz FKQJMNPRBRXCKV-SNVBAGLBSA-N -1 0 318.293 -0.405 20 0 DBADRM CCO[C@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)[C@@H]1CCOC1 ZINC001443446484 1007849235 /nfs/dbraw/zinc/84/92/35/1007849235.db2.gz BPWZJKJAUMUFEQ-MXWKQRLJSA-N -1 0 311.342 -0.459 20 0 DBADRM CO[C@@H](C)C(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001443451688 1007850148 /nfs/dbraw/zinc/85/01/48/1007850148.db2.gz GEYXJFSOJFOYFS-VIFPVBQESA-N -1 0 305.338 -0.642 20 0 DBADRM CO[C@H](C)C(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001443451685 1007850326 /nfs/dbraw/zinc/85/03/26/1007850326.db2.gz GEYXJFSOJFOYFS-SECBINFHSA-N -1 0 305.338 -0.642 20 0 DBADRM Cn1nccc1CCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001443476346 1007858938 /nfs/dbraw/zinc/85/89/38/1007858938.db2.gz XTWHMLHHDPIADA-UHFFFAOYSA-N -1 0 305.342 -0.823 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)CC3(O)CCC3)C2)c1[O-] ZINC001432250853 1007868894 /nfs/dbraw/zinc/86/88/94/1007868894.db2.gz MZHIFZUJBMDZTH-UHFFFAOYSA-N -1 0 308.338 -0.331 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)C2CCC2)C1 ZINC001432279603 1007879021 /nfs/dbraw/zinc/87/90/21/1007879021.db2.gz NGRZVZYLDVBEQH-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)CCCC2CC2)C1 ZINC001432305220 1007886263 /nfs/dbraw/zinc/88/62/63/1007886263.db2.gz OFSKDCIBNWINBG-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)Cn1nc2cnccn2c1=O)C(=O)[O-] ZINC001594908120 1017070340 /nfs/dbraw/zinc/07/03/40/1017070340.db2.gz CJPXMRPTXPSVDI-KCJUWKMLSA-N -1 0 307.310 -0.494 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN[C@@]1(C(=O)[O-])CCOC1)C(=O)OC ZINC001594898445 1017070477 /nfs/dbraw/zinc/07/04/77/1017070477.db2.gz XGQIIEKGWPFFAZ-CHIMOYNISA-N -1 0 316.354 -0.476 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC001594974677 1017071853 /nfs/dbraw/zinc/07/18/53/1017071853.db2.gz KXCKUOPJYHNCPV-QWRGUYRKSA-N -1 0 320.411 -0.183 20 0 DBADRM CC[C@@H](C)C[C@@H](NC(=O)C1(OC)CS(=O)(=O)C1)C(=O)[O-] ZINC001594935973 1017072145 /nfs/dbraw/zinc/07/21/45/1017072145.db2.gz FBSLFMXQPVXKOI-RKDXNWHRSA-N -1 0 307.368 -0.194 20 0 DBADRM CC[C@H](C)N(CC)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001594982641 1017072327 /nfs/dbraw/zinc/07/23/27/1017072327.db2.gz MZLYBKAJSGDUAC-AXFHLTTASA-N -1 0 300.355 -0.073 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)/C=C/c1nccs1 ZINC001594959825 1017072731 /nfs/dbraw/zinc/07/27/31/1017072731.db2.gz HBIHOHRVBLSBKV-FHKCNRDCSA-N -1 0 316.360 -0.134 20 0 DBADRM CC[C@H](C)C[C@@H](NC(=O)C1(OC)CS(=O)(=O)C1)C(=O)[O-] ZINC001594935971 1017072799 /nfs/dbraw/zinc/07/27/99/1017072799.db2.gz FBSLFMXQPVXKOI-DTWKUNHWSA-N -1 0 307.368 -0.194 20 0 DBADRM CC[C@@H]1C(=O)NCCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001443717317 1007909362 /nfs/dbraw/zinc/90/93/62/1007909362.db2.gz IHJYFADWUQYRRE-LLVKDONJSA-N -1 0 315.337 -0.575 20 0 DBADRM CCC(CC)[C@@H](C(=O)NC[C@H](O)C(=O)[O-])N1CCOCC1 ZINC001595105771 1017074248 /nfs/dbraw/zinc/07/42/48/1017074248.db2.gz SAMAOOQZGONIDV-RYUDHWBXSA-N -1 0 302.371 -0.315 20 0 DBADRM CCC(CC)[C@H](C(=O)N[C@@H](CO)C(=O)[O-])N1CCOCC1 ZINC001595105124 1017074901 /nfs/dbraw/zinc/07/49/01/1017074901.db2.gz AGTWNMJJPLLLGJ-NWDGAFQWSA-N -1 0 302.371 -0.315 20 0 DBADRM CCC(CC)(NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001595090972 1017074995 /nfs/dbraw/zinc/07/49/95/1017074995.db2.gz RIFDJAATXZLOJG-SNVBAGLBSA-N -1 0 320.411 -0.135 20 0 DBADRM CC[C@H](CNC(=O)[C@@H]1CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001595139133 1017075979 /nfs/dbraw/zinc/07/59/79/1017075979.db2.gz BIZZDIQDROXMMK-NXEZZACHSA-N -1 0 308.338 -0.060 20 0 DBADRM CC[C@H](CNC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC001595147164 1017076018 /nfs/dbraw/zinc/07/60/18/1017076018.db2.gz NIIFBBDBQDQRMJ-ZJUUUORDSA-N -1 0 301.343 -0.245 20 0 DBADRM CC[C@](COC)(NC(=O)[C@]1(F)CCS(=O)(=O)C1)C(=O)[O-] ZINC001595187231 1017077945 /nfs/dbraw/zinc/07/79/45/1017077945.db2.gz JWKBHBQLYPAKQL-WDEREUQCSA-N -1 0 311.331 -0.491 20 0 DBADRM CC[C@](COC)(NC(=O)Cn1ccc(C(=O)[O-])n1)C(=O)OC ZINC001595189965 1017078236 /nfs/dbraw/zinc/07/82/36/1017078236.db2.gz ZNRKXURQOLKHCH-CYBMUJFWSA-N -1 0 313.310 -0.334 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@@]1(F)CCS(=O)(=O)C1)C(=O)[O-] ZINC001595187229 1017078764 /nfs/dbraw/zinc/07/87/64/1017078764.db2.gz JWKBHBQLYPAKQL-MNOVXSKESA-N -1 0 311.331 -0.491 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)c1cccc(C(=O)[O-])n1 ZINC001595172385 1017079143 /nfs/dbraw/zinc/07/91/43/1017079143.db2.gz BNYPPCHVBJJSKB-QMMMGPOBSA-N -1 0 315.351 -0.163 20 0 DBADRM CC[C@](COC)(NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-] ZINC001595188167 1017079272 /nfs/dbraw/zinc/07/92/72/1017079272.db2.gz PTFGUGNIEKNLFZ-YMTOWFKASA-N -1 0 324.337 -0.241 20 0 DBADRM CC[C@](COC)(NC(=O)Cn1cc([C@@H](C)O)nn1)C(=O)[O-] ZINC001595189518 1017079505 /nfs/dbraw/zinc/07/95/05/1017079505.db2.gz OVHKFLDXNAETAC-PRHODGIISA-N -1 0 300.315 -0.673 20 0 DBADRM CC[C@H](COC(=O)C1CCN(S(=O)(=O)NC)CC1)C(=O)[O-] ZINC001595180223 1017079522 /nfs/dbraw/zinc/07/95/22/1017079522.db2.gz KVHXXCAVCMAAJC-SECBINFHSA-N -1 0 322.383 -0.183 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H](C)C1CC1 ZINC001443945829 1007970941 /nfs/dbraw/zinc/97/09/41/1007970941.db2.gz YCYSIPDIWUWBHC-HTQZYQBOSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C(c1ccncn1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001432633171 1007982919 /nfs/dbraw/zinc/98/29/19/1007982919.db2.gz WSFUDNLSIZGZAU-UHFFFAOYSA-N -1 0 315.337 -0.352 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)c2ccccc2)c1[O-] ZINC001444057259 1008002757 /nfs/dbraw/zinc/00/27/57/1008002757.db2.gz UDPYERYTGZETCS-NSHDSACASA-N -1 0 318.333 -0.056 20 0 DBADRM CC[C@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001432760623 1008004965 /nfs/dbraw/zinc/00/49/65/1008004965.db2.gz OICUJLKMYVVWSN-OPRDCNLKSA-N -1 0 322.365 -0.234 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(C)C ZINC001432757980 1008005510 /nfs/dbraw/zinc/00/55/10/1008005510.db2.gz BSGHQABDPRANNU-MRVPVSSYSA-N -1 0 313.358 -0.254 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1(C)CC1 ZINC001432761752 1008005861 /nfs/dbraw/zinc/00/58/61/1008005861.db2.gz PCOYFQXZRDVLAN-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@](O)(CNC(=O)CC3CC3)C2)c1[O-] ZINC001432784223 1008017051 /nfs/dbraw/zinc/01/70/51/1008017051.db2.gz QFBMTGBRCWXXOM-HNNXBMFYSA-N -1 0 322.365 -0.083 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)CC2(C)CC2)c1[O-] ZINC001444241756 1008095640 /nfs/dbraw/zinc/09/56/40/1008095640.db2.gz NMOWMLHJHXWLBB-VIFPVBQESA-N -1 0 310.354 -0.179 20 0 DBADRM CC(C)C(=O)NC[C@H]1CCC[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433218476 1008096967 /nfs/dbraw/zinc/09/69/67/1008096967.db2.gz PELTYYGYMUDTOL-RKDXNWHRSA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)CCCF)c1[O-] ZINC001433266803 1008127557 /nfs/dbraw/zinc/12/75/57/1008127557.db2.gz GEUPZUBWPXVXLX-QMMMGPOBSA-N -1 0 302.306 -0.620 20 0 DBADRM C[C@@H](CNCc1cscn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001445644053 1008412686 /nfs/dbraw/zinc/41/26/86/1008412686.db2.gz OXFWNTWXGZDZCI-ZETCQYMHSA-N -1 0 312.355 -0.560 20 0 DBADRM CC(=O)N1CC[C@@H]2CN(C(=O)CCCn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001445700845 1008422106 /nfs/dbraw/zinc/42/21/06/1008422106.db2.gz UDICMNFPDNURTL-GHMZBOCLSA-N -1 0 323.353 -0.451 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C(F)F ZINC001445735504 1008428186 /nfs/dbraw/zinc/42/81/86/1008428186.db2.gz KUMHMSYQMAAGJZ-YFKPBYRVSA-N -1 0 317.252 -0.779 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cnn2c1CCC2 ZINC001445739842 1008428395 /nfs/dbraw/zinc/42/83/95/1008428395.db2.gz QZGTUUJOQSQNNU-SECBINFHSA-N -1 0 319.369 -0.097 20 0 DBADRM CC(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001445933339 1008448781 /nfs/dbraw/zinc/44/87/81/1008448781.db2.gz FLHJGVQDIRXBAX-DTORHVGOSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C(CCCn1ccnc1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001446295214 1008498462 /nfs/dbraw/zinc/49/84/62/1008498462.db2.gz SMJPBYIFLWTUOP-UHFFFAOYSA-N -1 0 319.369 -0.074 20 0 DBADRM CC1(NC(=O)Cn2cccn2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001446457596 1008516324 /nfs/dbraw/zinc/51/63/24/1008516324.db2.gz CVCCIXJTXJWLJV-UHFFFAOYSA-N -1 0 319.369 -0.122 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC(n2ccnn2)CC1 ZINC001446501025 1008523369 /nfs/dbraw/zinc/52/33/69/1008523369.db2.gz LZHYJPVBVLYGDP-UHFFFAOYSA-N -1 0 321.341 -0.075 20 0 DBADRM CCCCS(=O)(=O)CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001457596253 1008543668 /nfs/dbraw/zinc/54/36/68/1008543668.db2.gz WWKCJGOGQHMIGT-UHFFFAOYSA-N -1 0 324.384 -0.638 20 0 DBADRM Cc1nnc(CC(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001446532323 1008544528 /nfs/dbraw/zinc/54/45/28/1008544528.db2.gz KBRVMYUBRPRRET-CYBMUJFWSA-N -1 0 320.357 -0.740 20 0 DBADRM CN(CCN(C)C(=O)C(C)(C)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001457677300 1008570904 /nfs/dbraw/zinc/57/09/04/1008570904.db2.gz UDQSPBAWJPRDPP-UHFFFAOYSA-N -1 0 315.305 -0.439 20 0 DBADRM C[C@]1(CC(=O)NCCCc2n[nH]c(=O)[n-]2)CCS(=O)(=O)N1 ZINC001457672853 1008574320 /nfs/dbraw/zinc/57/43/20/1008574320.db2.gz ZSRCPHGWZCQDNL-LLVKDONJSA-N -1 0 317.371 -0.969 20 0 DBADRM CN(CCN(C)C(=O)C1CC1)C(=O)c1c[n-]n2c1nccc2=O ZINC001457683377 1008577166 /nfs/dbraw/zinc/57/71/66/1008577166.db2.gz AVECHQTUSGTCHZ-UHFFFAOYSA-N -1 0 317.349 -0.037 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N(C)CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001457705487 1008585333 /nfs/dbraw/zinc/58/53/33/1008585333.db2.gz TUEGIIQBVUMVJK-BDAKNGLRSA-N -1 0 311.342 -0.738 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2c[n-]ncc2=O)[C@H](C(=O)OC)C1 ZINC001446641390 1008638862 /nfs/dbraw/zinc/63/88/62/1008638862.db2.gz IEROZEWYMCOVOR-WPRPVWTQSA-N -1 0 323.305 -0.251 20 0 DBADRM COC(=O)NCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cn[nH]n1 ZINC001457884487 1008688357 /nfs/dbraw/zinc/68/83/57/1008688357.db2.gz PZTHJOPKGSEQSR-DTWKUNHWSA-N -1 0 324.341 -0.825 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC2(C)C)c1[O-] ZINC001457957889 1008769762 /nfs/dbraw/zinc/76/97/62/1008769762.db2.gz FYEGORRVMDJVQI-BDAKNGLRSA-N -1 0 310.354 -0.323 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001446775080 1008783416 /nfs/dbraw/zinc/78/34/16/1008783416.db2.gz PZNSBPOPLRUKGG-PRHODGIISA-N -1 0 301.322 -0.689 20 0 DBADRM C[C@@H](CNC(=O)C1(C)CC1)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001458465126 1008840205 /nfs/dbraw/zinc/84/02/05/1008840205.db2.gz KXYKAKFOAPCSQC-QMMMGPOBSA-N -1 0 323.353 -0.364 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1 ZINC001447071669 1008891348 /nfs/dbraw/zinc/89/13/48/1008891348.db2.gz BDASFIQZNLHRDE-SECBINFHSA-N -1 0 315.351 -0.107 20 0 DBADRM CC(F)(F)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001447100115 1008896107 /nfs/dbraw/zinc/89/61/07/1008896107.db2.gz HKFXYUPFMDOYKL-SSDOTTSWSA-N -1 0 305.285 -0.518 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3cn[nH]c3)CC2)c1[O-] ZINC001458907478 1008896529 /nfs/dbraw/zinc/89/65/29/1008896529.db2.gz DOLLRLDDFKBNIC-UHFFFAOYSA-N -1 0 304.310 -0.161 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NCC1(NC(=O)c2cn[nH]n2)CC1 ZINC001458966796 1008907206 /nfs/dbraw/zinc/90/72/06/1008907206.db2.gz CGSLLNHHAVJZKD-QMMMGPOBSA-N -1 0 308.342 -0.902 20 0 DBADRM Cc1cc(Cn2nnc(C(=O)[N-]N3CCCNC3=O)c2C)no1 ZINC001447217295 1008956532 /nfs/dbraw/zinc/95/65/32/1008956532.db2.gz MXVOJVXYLXCKPU-UHFFFAOYSA-N -1 0 319.325 -0.009 20 0 DBADRM CC(=O)c1cnccc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001459182233 1008971348 /nfs/dbraw/zinc/97/13/48/1008971348.db2.gz HFAPFUMWMUHWOF-UHFFFAOYSA-N -1 0 312.289 -0.271 20 0 DBADRM O=c1[n-]c([C@H]2CCCN(Cc3nnc4c(=O)[nH]ccn34)C2)n[nH]1 ZINC001460171855 1009075182 /nfs/dbraw/zinc/07/51/82/1009075182.db2.gz LXDOZQXDAABSKV-QMMMGPOBSA-N -1 0 316.325 -0.379 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001447415694 1009078340 /nfs/dbraw/zinc/07/83/40/1009078340.db2.gz NBBCOUDYMGKIIZ-BWZBUEFSSA-N -1 0 309.326 -0.294 20 0 DBADRM Nc1nc2nc(CN3CCC[C@H]3c3nc[nH]n3)cc(=O)n2[n-]1 ZINC001460519064 1009094902 /nfs/dbraw/zinc/09/49/02/1009094902.db2.gz WIWDPLMPPKMCEB-QMMMGPOBSA-N -1 0 301.314 -0.545 20 0 DBADRM Cn1cnc(-c2nnc3n2CCN(Cc2n[nH]c(=O)[n-]2)C3)c1 ZINC001460634145 1009100396 /nfs/dbraw/zinc/10/03/96/1009100396.db2.gz ANYMGGVKUMBFJN-UHFFFAOYSA-N -1 0 301.314 -0.482 20 0 DBADRM CC(=O)N1C[C@H](C(=O)N(C)c2nnn[n-]2)Oc2ccccc21 ZINC001461557527 1009142461 /nfs/dbraw/zinc/14/24/61/1009142461.db2.gz CJPGPRZWOYDWPI-LLVKDONJSA-N -1 0 302.294 -0.023 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)N(C)c2nnn[n-]2)co1 ZINC001461558278 1009143902 /nfs/dbraw/zinc/14/39/02/1009143902.db2.gz JAAANPXJMFHSNA-UHFFFAOYSA-N -1 0 300.300 -0.680 20 0 DBADRM CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ncc[n-]1 ZINC001462764689 1009168556 /nfs/dbraw/zinc/16/85/56/1009168556.db2.gz KYMHOEMYFPZLDK-VIFPVBQESA-N -1 0 307.397 -0.003 20 0 DBADRM CN1C[C@@H](CCNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1=O ZINC001462816203 1009177322 /nfs/dbraw/zinc/17/73/22/1009177322.db2.gz NRUNPVPBPPQSFW-VIFPVBQESA-N -1 0 318.337 -0.944 20 0 DBADRM COc1cccnc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001447644540 1009209318 /nfs/dbraw/zinc/20/93/18/1009209318.db2.gz JQVALVXEXKSCPK-UHFFFAOYSA-N -1 0 301.324 -0.714 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1COC[C@H]1O)c1cccs1 ZINC001463030763 1009192957 /nfs/dbraw/zinc/19/29/57/1009192957.db2.gz GUGQFYLAIRAPQP-SZEHBUNVSA-N -1 0 321.376 -0.359 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC001463161990 1009196472 /nfs/dbraw/zinc/19/64/72/1009196472.db2.gz KOISZDQWOGXJGS-SNVBAGLBSA-N -1 0 306.322 -0.776 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC001463160239 1009197933 /nfs/dbraw/zinc/19/79/33/1009197933.db2.gz CNUKSNWNCSLWEE-UHFFFAOYSA-N -1 0 316.317 -0.296 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)[C@H]2CCC[C@H]2OC)CCOC1 ZINC001463278424 1009205459 /nfs/dbraw/zinc/20/54/59/1009205459.db2.gz GKYKIWULOJSAEX-JFGNBEQYSA-N -1 0 307.368 -0.195 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001463410069 1009214184 /nfs/dbraw/zinc/21/41/84/1009214184.db2.gz SQAUVGFPGBNLPQ-SRVKXCTJSA-N -1 0 321.395 -0.213 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001463410064 1009214645 /nfs/dbraw/zinc/21/46/45/1009214645.db2.gz SQAUVGFPGBNLPQ-GRYCIOLGSA-N -1 0 321.395 -0.213 20 0 DBADRM CC[C@](COC)([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)OC ZINC001463837478 1009247860 /nfs/dbraw/zinc/24/78/60/1009247860.db2.gz QQWCKMQAZZVNPF-JOYOIKCWSA-N -1 0 324.399 -0.649 20 0 DBADRM COC(=O)[C@@H](CF)[N-]S(=O)(=O)[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001463799533 1009249104 /nfs/dbraw/zinc/24/91/04/1009249104.db2.gz GJXVCGHIIGJQDY-HRDYMLBCSA-N -1 0 311.331 -0.241 20 0 DBADRM CNC(=O)C1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001463857506 1009251619 /nfs/dbraw/zinc/25/16/19/1009251619.db2.gz LAQKKBYPGORGRJ-UHFFFAOYSA-N -1 0 303.322 -0.379 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]CC(=O)N(C)OC ZINC001463910190 1009260935 /nfs/dbraw/zinc/26/09/35/1009260935.db2.gz ZRUUOZFWZFDMDV-UHFFFAOYSA-N -1 0 301.390 -0.652 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]Cc1cc2n(n1)CCCO2 ZINC001463993620 1009276326 /nfs/dbraw/zinc/27/63/26/1009276326.db2.gz XXNIHVPRBFQJJV-UHFFFAOYSA-N -1 0 308.385 -0.272 20 0 DBADRM CN(C)c1ccnc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC001598345946 1017257201 /nfs/dbraw/zinc/25/72/01/1017257201.db2.gz JKISQUJRROHZMD-GHMZBOCLSA-N -1 0 320.349 -0.286 20 0 DBADRM CN(C)c1ncncc1NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598365579 1017257246 /nfs/dbraw/zinc/25/72/46/1017257246.db2.gz UNZCRPGXNFWADI-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM CN(C)c1n[nH]c(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC001598365745 1017257386 /nfs/dbraw/zinc/25/73/86/1017257386.db2.gz ZUBBQGHEZVHFAX-UHFFFAOYSA-N -1 0 315.311 -0.360 20 0 DBADRM O=C(CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ccccc1 ZINC001464128718 1009291634 /nfs/dbraw/zinc/29/16/34/1009291634.db2.gz MEMSKYJDZGTONT-UHFFFAOYSA-N -1 0 305.294 -0.878 20 0 DBADRM CN(C)c1noc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001598364335 1017257728 /nfs/dbraw/zinc/25/77/28/1017257728.db2.gz GXISCIUTZLMOAV-JXUBOQSCSA-N -1 0 323.353 -0.407 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)c2cccc(C(=O)[O-])n2)n1 ZINC001598354237 1017258097 /nfs/dbraw/zinc/25/80/97/1017258097.db2.gz HWCYBUOEKWFGRA-UHFFFAOYSA-N -1 0 318.293 -0.030 20 0 DBADRM CN(C)c1noc(CN2C(=O)N[C@@](C)(CCC(=O)[O-])C2=O)n1 ZINC001598364459 1017258505 /nfs/dbraw/zinc/25/85/05/1017258505.db2.gz KCFJRPOBQYEPLM-LBPRGKRZSA-N -1 0 311.298 -0.189 20 0 DBADRM CN(CC(=O)NC1(CC(=O)[O-])CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001598387128 1017259863 /nfs/dbraw/zinc/25/98/63/1017259863.db2.gz RHODNXYEISXXOF-JTQLQIEISA-N -1 0 318.395 -0.381 20 0 DBADRM CN(CC(=O)NC1CC1)C(=O)COCc1ocnc1C(=O)[O-] ZINC001598387167 1017259924 /nfs/dbraw/zinc/25/99/24/1017259924.db2.gz SCCYFOSSPFCGLF-UHFFFAOYSA-N -1 0 311.294 -0.374 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001598375450 1017260225 /nfs/dbraw/zinc/26/02/25/1017260225.db2.gz YMGUFBDUDIHAEC-ONGXEEELSA-N -1 0 322.383 -0.891 20 0 DBADRM CCCCN(C(=O)CCc1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC001464383132 1009310029 /nfs/dbraw/zinc/31/00/29/1009310029.db2.gz KZIAQOLZDFONEK-JTQLQIEISA-N -1 0 315.399 -0.052 20 0 DBADRM CS(=O)(=O)CCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001464409606 1009310120 /nfs/dbraw/zinc/31/01/20/1009310120.db2.gz ULGXZXJCJPIOSY-UHFFFAOYSA-N -1 0 324.366 -0.761 20 0 DBADRM CCCCN(C(=O)CCc1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC001464383136 1009311150 /nfs/dbraw/zinc/31/11/50/1009311150.db2.gz KZIAQOLZDFONEK-SNVBAGLBSA-N -1 0 315.399 -0.052 20 0 DBADRM CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598387211 1017261562 /nfs/dbraw/zinc/26/15/62/1017261562.db2.gz OHONNXABOFCPRU-UHFFFAOYSA-N -1 0 318.355 -0.357 20 0 DBADRM CN(C1CC1)S(=O)(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598371050 1017261732 /nfs/dbraw/zinc/26/17/32/1017261732.db2.gz QRLAIZLEWFYYTR-SECBINFHSA-N -1 0 315.355 -0.438 20 0 DBADRM CN(CC(=O)Nc1cccc(C(=O)[O-])n1)CC(=O)NC1CC1 ZINC001598400455 1017263459 /nfs/dbraw/zinc/26/34/59/1017263459.db2.gz KGWLINYFUFKKDB-UHFFFAOYSA-N -1 0 306.322 -0.071 20 0 DBADRM CN(CC(=O)NC1(C(=O)[O-])CCCCC1)[C@@]1(CO)CCOC1 ZINC001598387384 1017263776 /nfs/dbraw/zinc/26/37/76/1017263776.db2.gz WWLDGIWHOOFFBA-CQSZACIVSA-N -1 0 314.382 -0.027 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1C[C@H](CO)C1 ZINC001464620841 1009328921 /nfs/dbraw/zinc/32/89/21/1009328921.db2.gz MSWAERLPIAAMHS-LJGSYFOKSA-N -1 0 306.365 -0.021 20 0 DBADRM CN(CC(=O)N[C@@H](CCF)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001598387996 1017264804 /nfs/dbraw/zinc/26/48/04/1017264804.db2.gz ZMGXBQNBVFIVAN-IUCAKERBSA-N -1 0 310.347 -0.966 20 0 DBADRM CN(CC(=O)Nc1c[nH]nc1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001598396327 1017264891 /nfs/dbraw/zinc/26/48/91/1017264891.db2.gz BXUBQLZVAOXQIF-ZETCQYMHSA-N -1 0 316.339 -0.835 20 0 DBADRM CN(CC(=O)[O-])C(=O)C(=O)N1CCN(c2ccccc2)CC1 ZINC001598403904 1017265035 /nfs/dbraw/zinc/26/50/35/1017265035.db2.gz VPBMQBVBTVSQID-UHFFFAOYSA-N -1 0 305.334 -0.122 20 0 DBADRM Cn1cc(C(=O)C[N-]S(=O)(=O)N=S2(=O)CCCC2)cn1 ZINC001464694659 1009335244 /nfs/dbraw/zinc/33/52/44/1009335244.db2.gz KNHBUYNDVPWKBI-UHFFFAOYSA-N -1 0 320.396 -0.301 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC001464697296 1009335824 /nfs/dbraw/zinc/33/58/24/1009335824.db2.gz RZHIEQBCPRKGSY-UHFFFAOYSA-N -1 0 308.356 -0.683 20 0 DBADRM CCCNS(=O)(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001464745186 1009338546 /nfs/dbraw/zinc/33/85/46/1009338546.db2.gz YGZHCYGHVDVSHB-SECBINFHSA-N -1 0 301.372 -0.405 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)CC2 ZINC001464778675 1009340579 /nfs/dbraw/zinc/34/05/79/1009340579.db2.gz MBNVCBWALFNCND-SSDOTTSWSA-N -1 0 309.355 -0.366 20 0 DBADRM NC(=O)CN(CC(N)=O)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001464826699 1009342593 /nfs/dbraw/zinc/34/25/93/1009342593.db2.gz LZBIZHSVCHOYHO-UHFFFAOYSA-N -1 0 308.319 -0.471 20 0 DBADRM Cc1nc(CN2CCN(C(=O)c3c[n-]ncc3=O)CC2)no1 ZINC001464845437 1009345747 /nfs/dbraw/zinc/34/57/47/1009345747.db2.gz MELZFLDPAFZBEH-UHFFFAOYSA-N -1 0 304.310 -0.168 20 0 DBADRM CN(C[C@@H]1CCC[C@H]1O)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001598454953 1017269122 /nfs/dbraw/zinc/26/91/22/1017269122.db2.gz KINQSNYNVPFUFG-GXSJLCMTSA-N -1 0 311.342 -0.221 20 0 DBADRM CN(CC(C)(C)CNc1ncc(C(=O)[O-])cn1)C(=O)C(N)=O ZINC001598424270 1017267688 /nfs/dbraw/zinc/26/76/88/1017267688.db2.gz ZEWCYGXAOOOXET-UHFFFAOYSA-N -1 0 309.326 -0.443 20 0 DBADRM COCC(=O)Nc1ccc(OC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001465005090 1009359338 /nfs/dbraw/zinc/35/93/38/1009359338.db2.gz UAOATVYQVIBQTE-UHFFFAOYSA-N -1 0 322.277 -0.120 20 0 DBADRM COC(=O)[C@H]1CC12CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC001465214389 1009365084 /nfs/dbraw/zinc/36/50/84/1009365084.db2.gz ADUYIVFHJBBRQV-MRVPVSSYSA-N -1 0 310.310 -0.509 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(CC[S@](C)=O)CC2)c1[O-] ZINC001465321416 1009366519 /nfs/dbraw/zinc/36/65/19/1009366519.db2.gz OSXGFLDBXMWACM-FQEVSTJZSA-N -1 0 300.384 -0.440 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)CCCc1nnn[n-]1 ZINC001465288377 1009366592 /nfs/dbraw/zinc/36/65/92/1009366592.db2.gz WWYYLKIEHHLDBA-RKDXNWHRSA-N -1 0 301.372 -0.444 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)CSc2n[nH]c(=O)[n-]2)CC1=O ZINC001465480846 1009376725 /nfs/dbraw/zinc/37/67/25/1009376725.db2.gz VPRPDWNNECEQAT-PRJMDXOYSA-N -1 0 311.367 -0.272 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001447888674 1009376774 /nfs/dbraw/zinc/37/67/74/1009376774.db2.gz QRAZMIDQBHVOSM-RQJHMYQMSA-N -1 0 309.326 -0.437 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)c1ccc(-c3nn[nH]n3)cn1)C2 ZINC001465588252 1009378354 /nfs/dbraw/zinc/37/83/54/1009378354.db2.gz SAWDZLCZIWTWFI-UHFFFAOYSA-N -1 0 311.309 -0.182 20 0 DBADRM COc1ccc([C@@H](CCO)NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001466092868 1009397591 /nfs/dbraw/zinc/39/75/91/1009397591.db2.gz XRSBJZJCRZZINE-LLVKDONJSA-N -1 0 322.321 -0.062 20 0 DBADRM COC[C@H](NC(=O)c1nc[n-]c(=O)c1Br)C(N)=O ZINC001466155731 1009408745 /nfs/dbraw/zinc/40/87/45/1009408745.db2.gz XWBOTSVDQMKDSW-BYPYZUCNSA-N -1 0 319.115 -0.825 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001466307738 1009415176 /nfs/dbraw/zinc/41/51/76/1009415176.db2.gz VSTXLMJKYRVLBD-UHNVWZDZSA-N -1 0 308.216 -0.706 20 0 DBADRM COCCNc1nc(CC(=O)NCc2nc(=O)o[n-]2)cs1 ZINC001466307087 1009416679 /nfs/dbraw/zinc/41/66/79/1009416679.db2.gz DWMLAERLAIYDDB-UHFFFAOYSA-N -1 0 313.339 -0.263 20 0 DBADRM O=C(N[C@H](CO)C1CC1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001466351385 1009418980 /nfs/dbraw/zinc/41/89/80/1009418980.db2.gz FYQACBHWHRCBAP-LLVKDONJSA-N -1 0 304.306 -0.233 20 0 DBADRM O=C(CCCc1nnn[n-]1)NC[C@H]1CCCCS1(=O)=O ZINC001466355366 1009419633 /nfs/dbraw/zinc/41/96/33/1009419633.db2.gz YOMNIHQIZOWMQN-SECBINFHSA-N -1 0 301.372 -0.394 20 0 DBADRM CC(C)(C)OC(=O)NCC1(C(=O)[N-]OCC(N)=O)CC(O)C1 ZINC001466481812 1009425239 /nfs/dbraw/zinc/42/52/39/1009425239.db2.gz ICRPBCMCYUYVMO-UHFFFAOYSA-N -1 0 317.342 -0.815 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1COc2ccccc2[C@@H]1O ZINC001466547024 1009428604 /nfs/dbraw/zinc/42/86/04/1009428604.db2.gz BJIMNUZTRAMXCM-ONGXEEELSA-N -1 0 304.310 -0.269 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCOC[C@H]1c1ccnn1C ZINC001466547323 1009429281 /nfs/dbraw/zinc/42/92/81/1009429281.db2.gz MTRPCKGMCAACME-JTQLQIEISA-N -1 0 306.330 -0.546 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001466571215 1009432889 /nfs/dbraw/zinc/43/28/89/1009432889.db2.gz OZALWNUUGQFHLE-VIFPVBQESA-N -1 0 307.262 -0.706 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001466827259 1009447649 /nfs/dbraw/zinc/44/76/49/1009447649.db2.gz KKWKIDGXXDPPQM-IJSAXESFSA-N -1 0 308.367 -0.428 20 0 DBADRM CNC(=O)CCCC(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448005307 1009447811 /nfs/dbraw/zinc/44/78/11/1009447811.db2.gz BJOSTJWGOHPHCA-VIFPVBQESA-N -1 0 312.374 -0.637 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001466827256 1009448364 /nfs/dbraw/zinc/44/83/64/1009448364.db2.gz KKWKIDGXXDPPQM-HXNGOWOSSA-N -1 0 308.367 -0.428 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)CCS(C)(=O)=O)c1[O-] ZINC001448011382 1009452633 /nfs/dbraw/zinc/45/26/33/1009452633.db2.gz NORJHQVBORBXFP-MRVPVSSYSA-N -1 0 318.399 -0.482 20 0 DBADRM Cc1cccc(C[C@H](CO)NC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001466902270 1009456017 /nfs/dbraw/zinc/45/60/17/1009456017.db2.gz UKCLPOKXZUPYDX-LLVKDONJSA-N -1 0 306.322 -0.282 20 0 DBADRM COCCCn1nc(C(=O)[N-]OC[C@H]2CCOC2)ccc1=O ZINC001466977726 1009463484 /nfs/dbraw/zinc/46/34/84/1009463484.db2.gz BYYQKLLWYHDGPJ-NSHDSACASA-N -1 0 311.338 -0.022 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448040791 1009481592 /nfs/dbraw/zinc/48/15/92/1009481592.db2.gz UXJYBBBSMUIOPW-DTWKUNHWSA-N -1 0 310.358 -0.885 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1n[n-]c(=S)o1 ZINC001467310123 1009483424 /nfs/dbraw/zinc/48/34/24/1009483424.db2.gz IPGOUDZOOBIVQV-ZETCQYMHSA-N -1 0 320.396 -0.559 20 0 DBADRM C[C@@]1(CC(=O)NCCc2n[n-]c(=S)o2)CCS(=O)(=O)N1 ZINC001467313581 1009485321 /nfs/dbraw/zinc/48/53/21/1009485321.db2.gz NTMWGSJDALKYQF-JTQLQIEISA-N -1 0 320.396 -0.511 20 0 DBADRM C[C@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CC[C@@H]1O ZINC001467356628 1009487677 /nfs/dbraw/zinc/48/76/77/1009487677.db2.gz KVGZKMWTPNDYAN-CABZTGNLSA-N -1 0 302.338 -0.082 20 0 DBADRM Cc1cnc(CN(C)[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001448056252 1009501150 /nfs/dbraw/zinc/50/11/50/1009501150.db2.gz SCXCFWLJOGLXOI-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCC[C@H](O)C(F)(F)F ZINC001467552243 1009505681 /nfs/dbraw/zinc/50/56/81/1009505681.db2.gz HUFRDEHDFVLLMQ-LURJTMIESA-N -1 0 312.248 -0.101 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCC[C@@H](O)C(F)(F)F ZINC001467552247 1009506007 /nfs/dbraw/zinc/50/60/07/1009506007.db2.gz HUFRDEHDFVLLMQ-ZCFIWIBFSA-N -1 0 312.248 -0.101 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCc1ccc(C(=O)OC)cc1 ZINC001467781097 1009520787 /nfs/dbraw/zinc/52/07/87/1009520787.db2.gz LUZUYPKGPDUVLB-UHFFFAOYSA-N -1 0 309.322 -0.008 20 0 DBADRM C[C@H](CNC(=O)c1cnco1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001448096929 1009525463 /nfs/dbraw/zinc/52/54/63/1009525463.db2.gz ZEYGZWHYAYVNOJ-SSDOTTSWSA-N -1 0 321.293 -0.978 20 0 DBADRM CN(C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C1(CO)CC1 ZINC001467855598 1009527924 /nfs/dbraw/zinc/52/79/24/1009527924.db2.gz OTMRSQXYIQHJOY-UHFFFAOYSA-N -1 0 304.306 -0.137 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC001468124360 1009544170 /nfs/dbraw/zinc/54/41/70/1009544170.db2.gz CBYLKIKNZVMJMH-ZETCQYMHSA-N -1 0 319.321 -0.001 20 0 DBADRM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598455797 1017269666 /nfs/dbraw/zinc/26/96/66/1017269666.db2.gz PHRPDTFRKMHIMU-YFKTTZPYSA-N -1 0 312.366 -0.025 20 0 DBADRM CC(C)n1cc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)nn1 ZINC001468424070 1009564453 /nfs/dbraw/zinc/56/44/53/1009564453.db2.gz GGMBTRQRKJDSDJ-UHFFFAOYSA-N -1 0 309.330 -0.042 20 0 DBADRM CN(CC1CC1)C(=O)CN1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598448400 1017270596 /nfs/dbraw/zinc/27/05/96/1017270596.db2.gz PYIUUXQDHRRPTR-QWHCGFSZSA-N -1 0 323.393 -0.377 20 0 DBADRM O=C(NC[C@@H](O)Cc1cccc(F)c1)c1n[nH]c(=O)[n-]c1=O ZINC001468470796 1009569561 /nfs/dbraw/zinc/56/95/61/1009569561.db2.gz BPCWJQCFRZSDEL-VIFPVBQESA-N -1 0 308.269 -0.245 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CC1)OCCCO2 ZINC001598470255 1017272072 /nfs/dbraw/zinc/27/20/72/1017272072.db2.gz CLAWKJYQVXQBDI-UHFFFAOYSA-N -1 0 322.383 -0.133 20 0 DBADRM CN(C[C@H]1COCCO1)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598467411 1017272422 /nfs/dbraw/zinc/27/24/22/1017272422.db2.gz MELLERIPPMSOJO-ZETCQYMHSA-N -1 0 305.312 -0.856 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC001598470532 1017272618 /nfs/dbraw/zinc/27/26/18/1017272618.db2.gz NKSMFQCPMDBWDW-MNOVXSKESA-N -1 0 322.383 -0.483 20 0 DBADRM CN(CCCCCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)C(N)=O ZINC001598475686 1017274312 /nfs/dbraw/zinc/27/43/12/1017274312.db2.gz HJCGTNBDLDUDTN-VHSXEESVSA-N -1 0 313.354 -0.673 20 0 DBADRM CN(CCCC(=O)N[C@H](CO)C(=O)[O-])C(=O)c1ccncc1 ZINC001598471712 1017274527 /nfs/dbraw/zinc/27/45/27/1017274527.db2.gz BGLXVKHRMGDCPN-LLVKDONJSA-N -1 0 309.322 -0.505 20 0 DBADRM CN(CCCF)C(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598477338 1017274745 /nfs/dbraw/zinc/27/47/45/1017274745.db2.gz MAXMRKFKMPDBFL-ZDUSSCGKSA-N -1 0 315.301 -0.364 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)CC1(O)CCC1 ZINC001598479350 1017274767 /nfs/dbraw/zinc/27/47/67/1017274767.db2.gz HZQBVDBGIHNZAL-WDEREUQCSA-N -1 0 312.366 -0.023 20 0 DBADRM CN(CCCN(C)c1ncc(C(=O)[O-])cn1)C(=O)CC(N)=O ZINC001598477861 1017275159 /nfs/dbraw/zinc/27/51/59/1017275159.db2.gz GXXIPXCUAYQQPO-UHFFFAOYSA-N -1 0 309.326 -0.665 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)N3C[C@H](O)[C@@H](CO)C3)cc2=O)cc1 ZINC001468869920 1009594988 /nfs/dbraw/zinc/59/49/88/1009594988.db2.gz SWMWNEKSPBZSSJ-RISCZKNCSA-N -1 0 317.345 -0.101 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC001598471619 1017275483 /nfs/dbraw/zinc/27/54/83/1017275483.db2.gz WYKBIUDBPZCXNB-MRVPVSSYSA-N -1 0 315.342 -0.433 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1ncn(C)n1 ZINC001598477500 1017275543 /nfs/dbraw/zinc/27/55/43/1017275543.db2.gz PDTRNUYIMAUBPQ-VHSXEESVSA-N -1 0 323.353 -0.544 20 0 DBADRM CN(CCCCCCNc1ccnc(C(=O)[O-])n1)C(=O)C(N)=O ZINC001598476752 1017275560 /nfs/dbraw/zinc/27/55/60/1017275560.db2.gz ROGVGQPPRARJEY-UHFFFAOYSA-N -1 0 323.353 -0.487 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC(C)(C)[C@]1(O)CCOC1 ZINC001598471382 1017275856 /nfs/dbraw/zinc/27/58/56/1017275856.db2.gz JGEDYABJNMDHJC-LBPRGKRZSA-N -1 0 324.399 -0.595 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCC1(OCCO)CCOCC1 ZINC001448186705 1009599426 /nfs/dbraw/zinc/59/94/26/1009599426.db2.gz GWEGDHOCNDGGPR-UHFFFAOYSA-N -1 0 313.358 -0.803 20 0 DBADRM CN(CCCNC(=O)c1c[nH]c(=O)cn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598481203 1017277127 /nfs/dbraw/zinc/27/71/27/1017277127.db2.gz JEHRMUAAAGXIDA-RKDXNWHRSA-N -1 0 322.321 -0.931 20 0 DBADRM CN(CCCNC(=O)Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598480844 1017277439 /nfs/dbraw/zinc/27/74/39/1017277439.db2.gz ZBXGHAHWIOPTFN-VXGBXAGGSA-N -1 0 322.365 -0.352 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC(O)(c2ccccc2)C1 ZINC001598481528 1017278482 /nfs/dbraw/zinc/27/84/82/1017278482.db2.gz ZEUOKJCGBFHPSX-UHFFFAOYSA-N -1 0 314.363 -0.159 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])CC(=O)Nc1ccon1 ZINC001598485865 1017278787 /nfs/dbraw/zinc/27/87/87/1017278787.db2.gz GMLLDTWTCBLCKJ-ZJUUUORDSA-N -1 0 324.337 -0.276 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC001468958420 1009612384 /nfs/dbraw/zinc/61/23/84/1009612384.db2.gz AGVDGYINQZSJNH-LLVKDONJSA-N -1 0 319.277 -0.447 20 0 DBADRM CN(CCN(C)c1ccnc(C(=O)[O-])n1)C(=O)Cn1cccn1 ZINC001598485837 1017279247 /nfs/dbraw/zinc/27/92/47/1017279247.db2.gz ZYODEAILAZCIRY-UHFFFAOYSA-N -1 0 318.337 -0.034 20 0 DBADRM CN(CCN(C)c1nccn2nnnc12)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598487366 1017279585 /nfs/dbraw/zinc/27/95/85/1017279585.db2.gz MGESSBZSJYOJHT-BDAKNGLRSA-N -1 0 319.325 -0.865 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])CC(=O)NCC1CCC1 ZINC001598489416 1017280940 /nfs/dbraw/zinc/28/09/40/1017280940.db2.gz PGPAFRBMUORNBF-NWDGAFQWSA-N -1 0 311.382 -0.329 20 0 DBADRM CN(CCNC(=O)C(=O)NC[C@H](F)C(=O)[O-])c1ccccc1 ZINC001598489113 1017281104 /nfs/dbraw/zinc/28/11/04/1017281104.db2.gz TWXAZQLBVLPZJJ-NSHDSACASA-N -1 0 311.313 -0.222 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])CC(=O)NCC(C)(C)C ZINC001598489245 1017282072 /nfs/dbraw/zinc/28/20/72/1017282072.db2.gz MBGFDRCWLMZVSI-QWRGUYRKSA-N -1 0 313.398 -0.083 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H](CO)c1cccnc1 ZINC001469160473 1009636408 /nfs/dbraw/zinc/63/64/08/1009636408.db2.gz FPWBCBRGUPXMPI-NSHDSACASA-N -1 0 314.305 -0.684 20 0 DBADRM O=C(N[C@H]1CCOC1=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001469318623 1009649903 /nfs/dbraw/zinc/64/99/03/1009649903.db2.gz BZRXHXLFLAFCEJ-VIFPVBQESA-N -1 0 304.262 -0.689 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)C1=O ZINC001469342716 1009652289 /nfs/dbraw/zinc/65/22/89/1009652289.db2.gz OFCFHAUBUYSLFJ-HTQZYQBOSA-N -1 0 312.326 -0.577 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1nc(=O)o[n-]1 ZINC001469342407 1009653289 /nfs/dbraw/zinc/65/32/89/1009653289.db2.gz MKBKJEOBHJGTJQ-BQBZGAKWSA-N -1 0 318.355 -0.742 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001469795915 1009689250 /nfs/dbraw/zinc/68/92/50/1009689250.db2.gz QZAPNEIANCXLGB-SECBINFHSA-N -1 0 304.368 -0.615 20 0 DBADRM CCc1c[nH]c(CC(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001448349867 1009727482 /nfs/dbraw/zinc/72/74/82/1009727482.db2.gz NZZMRNMCISEYHZ-UHFFFAOYSA-N -1 0 305.342 -0.462 20 0 DBADRM O=C(Cc1ccccc1CO)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448348770 1009729725 /nfs/dbraw/zinc/72/97/25/1009729725.db2.gz OCSPNBNQWMAHML-UHFFFAOYSA-N -1 0 317.349 -0.255 20 0 DBADRM CCOC(=O)C1(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CCC1 ZINC001448345457 1009730866 /nfs/dbraw/zinc/73/08/66/1009730866.db2.gz KGCPAXCGTUVKMR-UHFFFAOYSA-N -1 0 323.353 -0.257 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001448377480 1009741980 /nfs/dbraw/zinc/74/19/80/1009741980.db2.gz QNHOCSHSXCHDJL-GZMMTYOYSA-N -1 0 315.337 -0.671 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001448385829 1009742005 /nfs/dbraw/zinc/74/20/05/1009742005.db2.gz OGCHJRPUOCZVSY-WCBMZHEXSA-N -1 0 324.385 -0.639 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001470446499 1009748414 /nfs/dbraw/zinc/74/84/14/1009748414.db2.gz QBBADNMMCQJJOF-LPEHRKFASA-N -1 0 311.342 -0.187 20 0 DBADRM C[C@@H](O)[C@H](O)CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC001470644939 1009770965 /nfs/dbraw/zinc/77/09/65/1009770965.db2.gz NOPSBUOTBWSLED-LDYMZIIASA-N -1 0 302.352 -0.470 20 0 DBADRM O=C(Cc1c[nH]cn1)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001448445868 1009774145 /nfs/dbraw/zinc/77/41/45/1009774145.db2.gz OBXAXIIJKSILRA-RTCCRHLQSA-N -1 0 317.353 -0.730 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCC1N=NC(=S)N1C(C)C ZINC001470656150 1009775893 /nfs/dbraw/zinc/77/58/93/1009775893.db2.gz FHOWOSAYDFYJII-UHFFFAOYSA-N -1 0 316.387 -0.333 20 0 DBADRM Cn1nc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)ccc1=O ZINC001448462765 1009784998 /nfs/dbraw/zinc/78/49/98/1009784998.db2.gz YIFJYOVMURTQPR-MRVPVSSYSA-N -1 0 304.310 -0.376 20 0 DBADRM Cc1noc([C@@H]2OCC[C@@H]2NC(=O)CCCc2nnn[n-]2)n1 ZINC001470865729 1009794019 /nfs/dbraw/zinc/79/40/19/1009794019.db2.gz DJSLNXKHVKQYBG-GZMMTYOYSA-N -1 0 307.314 -0.140 20 0 DBADRM O=C(NC[C@@H](CO)[C@H]1CCOC1)c1c[n-]n2c1nccc2=O ZINC001448484336 1009802483 /nfs/dbraw/zinc/80/24/83/1009802483.db2.gz YOISWWKNQWTNJQ-UWVGGRQHSA-N -1 0 306.322 -0.603 20 0 DBADRM CNC(=O)CN(Cc1ccccc1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001471309292 1009815873 /nfs/dbraw/zinc/81/58/73/1009815873.db2.gz GTVXQADNMLSVJD-UHFFFAOYSA-N -1 0 317.305 -0.329 20 0 DBADRM Cc1cc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)ncc1C(N)=O ZINC001471460823 1009824427 /nfs/dbraw/zinc/82/44/27/1009824427.db2.gz SLPIJFVVPOMECV-MRVPVSSYSA-N -1 0 301.310 -0.368 20 0 DBADRM NC(=O)c1ccc(C=CC(=O)N2CC[C@@H](c3nnn[n-]3)C2)o1 ZINC001471459634 1009825129 /nfs/dbraw/zinc/82/51/29/1009825129.db2.gz JNBFRJTYEZTICI-BYDTYLDUSA-N -1 0 302.294 -0.079 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001471459496 1009825218 /nfs/dbraw/zinc/82/52/18/1009825218.db2.gz FTPXNRFDFSJPKI-VIFPVBQESA-N -1 0 315.337 -0.273 20 0 DBADRM NS(=O)(=O)N1CCN(C(=O)c2cccc(F)c2[O-])CC1 ZINC001471559162 1009831049 /nfs/dbraw/zinc/83/10/49/1009831049.db2.gz KYNLGMZKQLECCI-UHFFFAOYSA-N -1 0 303.315 -0.507 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NCc2nncn2C)c1[O-] ZINC001448636357 1009833786 /nfs/dbraw/zinc/83/37/86/1009833786.db2.gz FIYPPRPWYQTUBN-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM Cn1nccc1C1(O)CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC001471669233 1009838360 /nfs/dbraw/zinc/83/83/60/1009838360.db2.gz GQODCVYIDLHFOE-UHFFFAOYSA-N -1 0 305.338 -0.017 20 0 DBADRM Cn1ncnc1C1(O)CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC001471669691 1009839027 /nfs/dbraw/zinc/83/90/27/1009839027.db2.gz AGZNZMAOMORSLY-UHFFFAOYSA-N -1 0 306.326 -0.622 20 0 DBADRM Cn1nnnc1C1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001471703390 1009841136 /nfs/dbraw/zinc/84/11/36/1009841136.db2.gz JFTXWKWJUAXAJB-UHFFFAOYSA-N -1 0 324.370 -0.468 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)N3CC(CO)(CO)C3)cc2=O)cc1 ZINC001471784766 1009844815 /nfs/dbraw/zinc/84/48/15/1009844815.db2.gz FFPOTBKLCQWITH-UHFFFAOYSA-N -1 0 317.345 -0.099 20 0 DBADRM CCOC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)CCc1nnn[n-]1 ZINC001471780084 1009845204 /nfs/dbraw/zinc/84/52/04/1009845204.db2.gz FGGAEXLLNPYEMT-VHSXEESVSA-N -1 0 311.342 -0.251 20 0 DBADRM CCOCC(=O)NCCN(C)C(=O)Cc1c(C)nc(C)[nH]c1=O ZINC001448689760 1009846295 /nfs/dbraw/zinc/84/62/95/1009846295.db2.gz CGYOGBZAPYRIOY-UHFFFAOYSA-N -1 0 324.381 -0.047 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(C(=O)OC)nc1)c1nnn[n-]1 ZINC001471843897 1009848362 /nfs/dbraw/zinc/84/83/62/1009848362.db2.gz QUBOXLKCRIBUEF-SECBINFHSA-N -1 0 306.282 -0.501 20 0 DBADRM COC[C@H](NC(=O)CCc1ccc(C(N)=O)cc1)c1nnn[n-]1 ZINC001471846358 1009848708 /nfs/dbraw/zinc/84/87/08/1009848708.db2.gz TUBOCGKAOSOBQL-NSHDSACASA-N -1 0 318.337 -0.265 20 0 DBADRM COC[C@H](NC(=O)c1cccc(CNC(C)=O)c1)c1nnn[n-]1 ZINC001471845132 1009849052 /nfs/dbraw/zinc/84/90/52/1009849052.db2.gz FJNUMLCMBWJETC-LBPRGKRZSA-N -1 0 318.337 -0.047 20 0 DBADRM COC[C@H](NC(=O)Cn1ccc(C(F)F)n1)c1nnn[n-]1 ZINC001471845144 1009849478 /nfs/dbraw/zinc/84/94/78/1009849478.db2.gz FRDLOFJFEQUQIE-ZETCQYMHSA-N -1 0 301.257 -0.162 20 0 DBADRM COC[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1nnn[n-]1 ZINC001471843862 1009849714 /nfs/dbraw/zinc/84/97/14/1009849714.db2.gz PQVKQNJYIXKSBG-SECBINFHSA-N -1 0 318.293 -0.352 20 0 DBADRM CN(CCNC(=O)CC(C)(C)C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001448706478 1009852335 /nfs/dbraw/zinc/85/23/35/1009852335.db2.gz FZZKTXPKQZFIOK-UHFFFAOYSA-N -1 0 311.342 -0.093 20 0 DBADRM C[S@](=O)CCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001471997594 1009859546 /nfs/dbraw/zinc/85/95/46/1009859546.db2.gz IGLMOIAJWHPXDT-NRFANRHFSA-N -1 0 308.367 -0.427 20 0 DBADRM COc1cnc(C(C)(C)NC(=O)CCc2nnn[n-]2)[nH]c1=O ZINC001472021843 1009859824 /nfs/dbraw/zinc/85/98/24/1009859824.db2.gz KXCIUJFKDVQRCG-UHFFFAOYSA-N -1 0 307.314 -0.312 20 0 DBADRM O=C(C[C@@H]1NC(=O)NC1=O)NCCc1c(F)cc(O)cc1F ZINC001472041162 1009861222 /nfs/dbraw/zinc/86/12/22/1009861222.db2.gz HCASCZHCZTXEIA-JTQLQIEISA-N -1 0 313.260 -0.073 20 0 DBADRM C[C@H]1CO[C@H](C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)C1 ZINC001472128171 1009868066 /nfs/dbraw/zinc/86/80/66/1009868066.db2.gz AKQBSJDUKNHDHN-MNOVXSKESA-N -1 0 321.381 -0.030 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCO[C@H](CS(C)(=O)=O)C2)c1[O-] ZINC001472152769 1009868542 /nfs/dbraw/zinc/86/85/42/1009868542.db2.gz UQUYWQWRNGTYRT-QMMMGPOBSA-N -1 0 303.340 -0.691 20 0 DBADRM C[C@H]1C(=O)NCCCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001472285692 1009878923 /nfs/dbraw/zinc/87/89/23/1009878923.db2.gz FBAYQYWDHNCPID-VIFPVBQESA-N -1 0 315.337 -0.575 20 0 DBADRM Cc1cnc2c(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)cnn2c1 ZINC001472498845 1009887249 /nfs/dbraw/zinc/88/72/49/1009887249.db2.gz VPEIMBLQHUVAGD-UHFFFAOYSA-N -1 0 321.322 -0.188 20 0 DBADRM CCn1cc(Br)c(C(=O)[N-]N2CC(=O)NC2=O)n1 ZINC001472486677 1009887406 /nfs/dbraw/zinc/88/74/06/1009887406.db2.gz USBMAVMLGCBUQS-UHFFFAOYSA-N -1 0 316.115 -0.138 20 0 DBADRM O=C(C[C@@H]1CCCS(=O)(=O)C1)NCCCc1n[nH]c(=O)[n-]1 ZINC001472518885 1009887789 /nfs/dbraw/zinc/88/77/89/1009887789.db2.gz GTKIIIJALSARNF-VIFPVBQESA-N -1 0 316.383 -0.226 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC001472480369 1009888218 /nfs/dbraw/zinc/88/82/18/1009888218.db2.gz LRAOWFPISIDZNA-UHFFFAOYSA-N -1 0 303.344 -0.946 20 0 DBADRM COC(=O)c1c(NC(=O)c2ccncn2)n[n-]c1OCCO ZINC001472586297 1009890361 /nfs/dbraw/zinc/89/03/61/1009890361.db2.gz RENQQTANNZXXDC-UHFFFAOYSA-N -1 0 307.266 -0.390 20 0 DBADRM CCN1CC[C@@H](N2CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)C1=O ZINC001472949367 1009899964 /nfs/dbraw/zinc/89/99/64/1009899964.db2.gz DENBQVYZGISHBV-LLVKDONJSA-N -1 0 321.381 -0.198 20 0 DBADRM O=S1(=O)[N-]C(CN2CC[C@@H](O)[C@@H](O)C2)=Nc2ccccc21 ZINC001473721732 1009938157 /nfs/dbraw/zinc/93/81/57/1009938157.db2.gz DXUBBWMYBPXLGO-MNOVXSKESA-N -1 0 311.363 -0.564 20 0 DBADRM Cc1nc(CN[C@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])c(C)o1 ZINC001448836231 1009944841 /nfs/dbraw/zinc/94/48/41/1009944841.db2.gz MUQBXGACLUDLPB-JTQLQIEISA-N -1 0 323.353 -0.091 20 0 DBADRM NC(=O)[C@@H]1CN(S(=O)(=O)c2cc([O-])cc(F)c2)CCO1 ZINC001474891780 1009984656 /nfs/dbraw/zinc/98/46/56/1009984656.db2.gz JZOXOVCHGKGLPE-JTQLQIEISA-N -1 0 304.299 -0.594 20 0 DBADRM COCCO[N-]C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001448867648 1009990622 /nfs/dbraw/zinc/99/06/22/1009990622.db2.gz PFDFBNPLTNJPDN-OLZOCXBDSA-N -1 0 309.322 -0.326 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@]1(O)CCOC1 ZINC001475111607 1009997502 /nfs/dbraw/zinc/99/75/02/1009997502.db2.gz PXCKSYNYDGEQAJ-SECBINFHSA-N -1 0 300.402 -0.520 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-][C@H](CO)C(=O)OC ZINC001475139649 1010003228 /nfs/dbraw/zinc/00/32/28/1010003228.db2.gz BNIFYDAJEFLKTP-BDAKNGLRSA-N -1 0 311.356 -0.829 20 0 DBADRM O=S(=O)(NC[C@H]1COC2(CCOCC2)O1)c1ncc[n-]1 ZINC001475138209 1010003562 /nfs/dbraw/zinc/00/35/62/1010003562.db2.gz QVVCUZGPFLHUBW-VIFPVBQESA-N -1 0 303.340 -0.390 20 0 DBADRM CS(=O)(=O)[C@H]1CCCCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001475249291 1010010567 /nfs/dbraw/zinc/01/05/67/1010010567.db2.gz NZVAIYPOZZUGNX-VIFPVBQESA-N -1 0 307.397 -0.003 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)N=S(C)(C)=O)C1=O ZINC001475264753 1010013380 /nfs/dbraw/zinc/01/33/80/1010013380.db2.gz QWCMXCXQDFIMLA-MRVPVSSYSA-N -1 0 312.373 -0.816 20 0 DBADRM CCOC(=O)c1n[nH]c([C@@H](C)NS(=O)(=O)[C@@H]2CCOC2)n1 ZINC001475480612 1010030550 /nfs/dbraw/zinc/03/05/50/1010030550.db2.gz BZMZDLBKQDWULR-HTQZYQBOSA-N -1 0 318.355 -0.249 20 0 DBADRM C[C@@H]1CC[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)CS1(=O)=O ZINC001475470070 1010031851 /nfs/dbraw/zinc/03/18/51/1010031851.db2.gz JUEGAANOHDXCFS-SFYZADRCSA-N -1 0 318.442 -0.486 20 0 DBADRM COCOCCCNS(=O)(=O)c1cc(C(=O)OC)[nH]n1 ZINC001475549808 1010035454 /nfs/dbraw/zinc/03/54/54/1010035454.db2.gz RZLHBEBCLMSYAC-UHFFFAOYSA-N -1 0 307.328 -0.515 20 0 DBADRM COC(=O)[C@@H](F)C[N-]S(=O)(=O)Cc1noc(C2CC2)n1 ZINC001475667976 1010046845 /nfs/dbraw/zinc/04/68/45/1010046845.db2.gz DLOODQVAFALTEA-ZETCQYMHSA-N -1 0 307.303 -0.123 20 0 DBADRM CC[C@@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@H]1CCCCO1 ZINC001595228087 1017081141 /nfs/dbraw/zinc/08/11/41/1017081141.db2.gz BVBQLRXXTDRIPF-IVZWLZJFSA-N -1 0 304.318 -0.011 20 0 DBADRM CC[C@@H](NC(=O)CN1CCC[C@H](C(=O)OC)C1=O)C(=O)[O-] ZINC001595242873 1017081589 /nfs/dbraw/zinc/08/15/89/1017081589.db2.gz RFHKMXNOOHMJPS-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)C[C@H]2CCNC2=O)c1[O-] ZINC001448916187 1010063979 /nfs/dbraw/zinc/06/39/79/1010063979.db2.gz QTZOTOUOBZEKEY-SECBINFHSA-N -1 0 323.353 -0.862 20 0 DBADRM CCC[C@H](C(=O)N1CCC[C@@]1(COC)C(=O)[O-])S(N)(=O)=O ZINC001595533159 1017089126 /nfs/dbraw/zinc/08/91/26/1017089126.db2.gz SXAOTTRREDNDKX-BXKDBHETSA-N -1 0 322.383 -0.464 20 0 DBADRM CC[C@@H](NC(=O)NCCOCC(=O)[O-])C(=O)N1CCOCC1 ZINC001595253658 1017082616 /nfs/dbraw/zinc/08/26/16/1017082616.db2.gz WQNIHSRBHVAOGV-SNVBAGLBSA-N -1 0 317.342 -0.976 20 0 DBADRM CC[C@H](NC(=O)c1cc(C(=O)[O-])nn1C)C(=O)N1CCOCC1 ZINC001595264196 1017082709 /nfs/dbraw/zinc/08/27/09/1017082709.db2.gz YSBKWIXZJXAOFW-VIFPVBQESA-N -1 0 324.337 -0.515 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCS(=O)(=O)C(C)(C)C1 ZINC001476595134 1010072744 /nfs/dbraw/zinc/07/27/44/1010072744.db2.gz NEYPNTALRCKSIJ-MRVPVSSYSA-N -1 0 316.387 -0.408 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H](O)c1cccc(OC)c1 ZINC001476595078 1010073624 /nfs/dbraw/zinc/07/36/24/1010073624.db2.gz LPCDBYBMUQLFKV-NSHDSACASA-N -1 0 306.326 -0.021 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H](O)c1cccc(OC)c1 ZINC001476595077 1010074453 /nfs/dbraw/zinc/07/44/53/1010074453.db2.gz LPCDBYBMUQLFKV-LLVKDONJSA-N -1 0 306.326 -0.021 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1ncc2c(n1)CCOC2 ZINC001476595213 1010074753 /nfs/dbraw/zinc/07/47/53/1010074753.db2.gz PQPQHNYKWCLILQ-UHFFFAOYSA-N -1 0 304.314 -0.701 20 0 DBADRM CCC1(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)COC1 ZINC001595365714 1017083585 /nfs/dbraw/zinc/08/35/85/1017083585.db2.gz FVKZVHNGZBMVKX-UHFFFAOYSA-N -1 0 305.352 -0.439 20 0 DBADRM CC[C@]1(C)CCN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001595370965 1017084297 /nfs/dbraw/zinc/08/42/97/1017084297.db2.gz KSBCTUXTXCYQPW-ZIBATOQPSA-N -1 0 312.366 -0.071 20 0 DBADRM CCC[C@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)S(N)(=O)=O ZINC001595532130 1017089274 /nfs/dbraw/zinc/08/92/74/1017089274.db2.gz FGHCSXUJJSBYLW-RKDXNWHRSA-N -1 0 308.356 -0.854 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C[C@@H](CC)O1 ZINC001595470141 1017086256 /nfs/dbraw/zinc/08/62/56/1017086256.db2.gz DUAMWVYMDULXHI-BBBLOLIVSA-N -1 0 304.318 -0.059 20 0 DBADRM CC[C@@H]1CC[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])O1 ZINC001595414334 1017087349 /nfs/dbraw/zinc/08/73/49/1017087349.db2.gz CPBITMSNDXMALI-UTLUCORTSA-N -1 0 305.352 -0.346 20 0 DBADRM CC[C@@H]1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CCO1 ZINC001595406918 1017088003 /nfs/dbraw/zinc/08/80/03/1017088003.db2.gz CBOTYVUGPWLCQS-AXFHLTTASA-N -1 0 319.379 -0.098 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCCNC(=O)OC(C)(C)C ZINC001477838136 1010120740 /nfs/dbraw/zinc/12/07/40/1010120740.db2.gz FQDZTBWIFVHJNU-UHFFFAOYSA-N -1 0 304.347 -0.122 20 0 DBADRM CCC(CC)(NC(=O)Cn1nc(C)n(C)c1=O)c1nnn[n-]1 ZINC001449022172 1010167968 /nfs/dbraw/zinc/16/79/68/1010167968.db2.gz JMCGLVRHVIMCIB-UHFFFAOYSA-N -1 0 308.346 -0.765 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC(C)(C)CS(C)(=O)=O ZINC001478920264 1010179514 /nfs/dbraw/zinc/17/95/14/1010179514.db2.gz WAXRDBAYRCWMOL-UHFFFAOYSA-N -1 0 309.388 -0.576 20 0 DBADRM Cc1ccnn1CC(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001479250724 1010218325 /nfs/dbraw/zinc/21/83/25/1010218325.db2.gz XMDQWKAYTCVXBY-NSHDSACASA-N -1 0 319.369 -0.252 20 0 DBADRM Cc1nc[nH]c1CC(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001479262679 1010227865 /nfs/dbraw/zinc/22/78/65/1010227865.db2.gz FDIDXTHXWVSDGI-JTQLQIEISA-N -1 0 319.369 -0.183 20 0 DBADRM CN(CCNC(=O)Cc1cncn1C)c1ccnc(C(=O)[O-])n1 ZINC001598490103 1017283289 /nfs/dbraw/zinc/28/32/89/1017283289.db2.gz FNNJLQZBNUZYJF-UHFFFAOYSA-N -1 0 318.337 -0.297 20 0 DBADRM CN(CCNC(=O)[C@@]1(F)CCOC1)c1ncc(C(=O)[O-])cn1 ZINC001598489386 1017283358 /nfs/dbraw/zinc/28/33/58/1017283358.db2.gz OSCXIRGUYLBPSO-CYBMUJFWSA-N -1 0 312.301 -0.144 20 0 DBADRM CN(CCNC(=O)CCc1cn[nH]n1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598491015 1017284348 /nfs/dbraw/zinc/28/43/48/1017284348.db2.gz RXMLRGLTSVFDTQ-ZJUUUORDSA-N -1 0 309.326 -0.967 20 0 DBADRM CN(CCNC(=O)CCn1ccnn1)c1ncc(C(=O)[O-])cn1 ZINC001598490531 1017284452 /nfs/dbraw/zinc/28/44/52/1017284452.db2.gz LVPWNZSJVINVHR-UHFFFAOYSA-N -1 0 319.325 -0.591 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1nnnn1C(C)(C)C ZINC001598490409 1017284959 /nfs/dbraw/zinc/28/49/59/1017284959.db2.gz GYMRDPAKHKQZGG-VHSXEESVSA-N -1 0 324.385 -0.303 20 0 DBADRM CN(CCNC(=O)CCc1cn(C)nn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598491465 1017284997 /nfs/dbraw/zinc/28/49/97/1017284997.db2.gz ZRRYPFDLYMANKY-GHMZBOCLSA-N -1 0 323.353 -0.957 20 0 DBADRM CN(CCNC(=O)CCc1nnc[nH]1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598490251 1017285474 /nfs/dbraw/zinc/28/54/74/1017285474.db2.gz IZBQFBYSODTZIR-BDAKNGLRSA-N -1 0 309.326 -0.967 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1ncnn1CCF ZINC001598491759 1017285769 /nfs/dbraw/zinc/28/57/69/1017285769.db2.gz UKNUICBVOOGWCR-UWVGGRQHSA-N -1 0 313.333 -0.484 20 0 DBADRM CN(CCNC(=O)CCc1cn(C)nn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598491468 1017285836 /nfs/dbraw/zinc/28/58/36/1017285836.db2.gz ZRRYPFDLYMANKY-QWRGUYRKSA-N -1 0 323.353 -0.957 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001598494415 1017287482 /nfs/dbraw/zinc/28/74/82/1017287482.db2.gz VYFQVBVDXJADCT-UHFFFAOYSA-N -1 0 319.343 -0.869 20 0 DBADRM CN(CCNC(=O)c1cnc[nH]c1=O)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598492562 1017287564 /nfs/dbraw/zinc/28/75/64/1017287564.db2.gz OYEMFVNKXXXVTJ-JGVFFNPUSA-N -1 0 308.294 -0.909 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H](C1CC1)C1(CO)CCOCC1 ZINC001479463521 1010290780 /nfs/dbraw/zinc/29/07/80/1010290780.db2.gz NUSJHQQKCHWFAQ-LBPRGKRZSA-N -1 0 315.370 -0.469 20 0 DBADRM C[C@@H](NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)c1nnnn1C ZINC001479490785 1010295008 /nfs/dbraw/zinc/29/50/08/1010295008.db2.gz BMKRFNDYWLEKJC-SFYZADRCSA-N -1 0 321.345 -0.316 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@@H]1CCNC(=O)C1 ZINC001598495815 1017290323 /nfs/dbraw/zinc/29/03/23/1017290323.db2.gz OQUKVCFXYJYPRT-SECBINFHSA-N -1 0 321.337 -0.429 20 0 DBADRM CN(CCO)CCNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001598496657 1017291483 /nfs/dbraw/zinc/29/14/83/1017291483.db2.gz WPIWESSTNFGZCP-UHFFFAOYSA-N -1 0 302.352 -0.413 20 0 DBADRM CN(CCNCc1nnc(C2CC2)[nH]1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598495537 1017291516 /nfs/dbraw/zinc/29/15/16/1017291516.db2.gz MROXIONFMAHWMZ-ZJUUUORDSA-N -1 0 307.354 -0.049 20 0 DBADRM CN(CCNCc1nnnn1C1CC1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598495459 1017291589 /nfs/dbraw/zinc/29/15/89/1017291589.db2.gz LATRBKQBELXNHN-UWVGGRQHSA-N -1 0 308.342 -0.723 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)c1cnc[nH]c1=O ZINC001598495768 1017291622 /nfs/dbraw/zinc/29/16/22/1017291622.db2.gz NOEMNDSGNKMZIC-UHFFFAOYSA-N -1 0 318.293 -0.146 20 0 DBADRM CN(CCNCc1nnnn1C1CC1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598495461 1017291639 /nfs/dbraw/zinc/29/16/39/1017291639.db2.gz LATRBKQBELXNHN-VHSXEESVSA-N -1 0 308.342 -0.723 20 0 DBADRM CN(CCn1cnnc1)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598504110 1017292951 /nfs/dbraw/zinc/29/29/51/1017292951.db2.gz ZFACBPWRWGAHNF-UHFFFAOYSA-N -1 0 311.323 -0.308 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CN1CCNC(=O)C1 ZINC001598509867 1017293423 /nfs/dbraw/zinc/29/34/23/1017293423.db2.gz IVBZDLPSAXPWME-UHFFFAOYSA-N -1 0 305.334 -0.225 20 0 DBADRM CN(Cc1cc[nH]n1)C(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001598508817 1017293648 /nfs/dbraw/zinc/29/36/48/1017293648.db2.gz DTWATWJYNZZFMR-SNVBAGLBSA-N -1 0 308.338 -0.015 20 0 DBADRM CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)[N-]OC)cc1 ZINC001598521377 1017295520 /nfs/dbraw/zinc/29/55/20/1017295520.db2.gz PSSUMEKIWFOFDN-UHFFFAOYSA-N -1 0 315.351 -0.608 20 0 DBADRM CN(Cc1cn(C)nn1)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001598532975 1017296522 /nfs/dbraw/zinc/29/65/22/1017296522.db2.gz IKEIUTHFPCDVRJ-UHFFFAOYSA-N -1 0 317.352 -0.210 20 0 DBADRM CN(Cc1nccn1C)C(=O)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001598538759 1017296641 /nfs/dbraw/zinc/29/66/41/1017296641.db2.gz PBOJGZODZPGBGU-UHFFFAOYSA-N -1 0 308.338 -0.252 20 0 DBADRM CN(CCOCCN(C)C(=O)c1ccon1)Cc1n[nH]c(=O)[n-]1 ZINC001479676899 1010337285 /nfs/dbraw/zinc/33/72/85/1010337285.db2.gz UJPOWOSBEOTTGO-UHFFFAOYSA-N -1 0 324.341 -0.281 20 0 DBADRM CC(C)OCC(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001449203727 1010377113 /nfs/dbraw/zinc/37/71/13/1010377113.db2.gz VXTYMZIRIRNIKM-JTQLQIEISA-N -1 0 315.374 -0.814 20 0 DBADRM CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCC(=O)N1 ZINC001449275871 1010416567 /nfs/dbraw/zinc/41/65/67/1010416567.db2.gz VKXFMTYEGNSZOL-JTQLQIEISA-N -1 0 324.385 -0.542 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C[C@@H]1C[C@H]1C ZINC001449462953 1010481456 /nfs/dbraw/zinc/48/14/56/1010481456.db2.gz OIDUAOWSNNLOPB-BDAKNGLRSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)NC(=O)C(C)(C)F ZINC001449560402 1010509260 /nfs/dbraw/zinc/50/92/60/1010509260.db2.gz NMWMXLHKIVJUCU-BQBZGAKWSA-N -1 0 317.321 -0.553 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)NC(=O)C(C)(C)F ZINC001449560405 1010509722 /nfs/dbraw/zinc/50/97/22/1010509722.db2.gz NMWMXLHKIVJUCU-RQJHMYQMSA-N -1 0 317.321 -0.553 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)NC(=O)C(F)F ZINC001449581303 1010515025 /nfs/dbraw/zinc/51/50/25/1010515025.db2.gz VDFCTQDEHBSMBC-DMTCNVIQSA-N -1 0 305.241 -0.829 20 0 DBADRM CCCC(=O)NCC(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001595527699 1017089690 /nfs/dbraw/zinc/08/96/90/1017089690.db2.gz OJDKJZZFEFODIN-JTQLQIEISA-N -1 0 314.338 -0.088 20 0 DBADRM CC[C@@H]1CN(Cn2cc(C(=O)[O-])nn2)C[C@H](C)S1(=O)=O ZINC001595491094 1017090006 /nfs/dbraw/zinc/09/00/06/1017090006.db2.gz LULGQITYPZLYER-DTWKUNHWSA-N -1 0 302.356 -0.169 20 0 DBADRM CCCC(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)C1 ZINC001595522019 1017090265 /nfs/dbraw/zinc/09/02/65/1017090265.db2.gz JEOOFLYVEHGGEL-OLZOCXBDSA-N -1 0 323.393 -0.138 20 0 DBADRM CCC[C@H](O)[C@@H](CO)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001595607301 1017091420 /nfs/dbraw/zinc/09/14/20/1017091420.db2.gz DTGGYIXRKNCIRX-MNOVXSKESA-N -1 0 312.322 -0.815 20 0 DBADRM CCC[C@](C)(O)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001595565945 1017092492 /nfs/dbraw/zinc/09/24/92/1017092492.db2.gz MDTIDECIEMRSGK-RVBZMBCESA-N -1 0 303.359 -0.186 20 0 DBADRM CCC[C@@](C)(O)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001595566531 1017092575 /nfs/dbraw/zinc/09/25/75/1017092575.db2.gz SEIIXTLGDZIURV-QMTHXVAHSA-N -1 0 300.355 -0.023 20 0 DBADRM CCC[C@@H](OC)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001595610377 1017092943 /nfs/dbraw/zinc/09/29/43/1017092943.db2.gz BMGUNGDTCMVEPB-VHSXEESVSA-N -1 0 307.368 -0.098 20 0 DBADRM CCC[C@@H](C(=O)N[C@]1(CC(=O)[O-])CCOC1)S(N)(=O)=O ZINC001595536342 1017093128 /nfs/dbraw/zinc/09/31/28/1017093128.db2.gz XFVNAIOCSLYGRJ-KWQFWETISA-N -1 0 308.356 -0.806 20 0 DBADRM CCC[C@H](C(=O)NCc1ncc(C(=O)[O-])s1)S(N)(=O)=O ZINC001595536173 1017093457 /nfs/dbraw/zinc/09/34/57/1017093457.db2.gz QTTYKWYZYBCCPQ-SSDOTTSWSA-N -1 0 321.380 -0.085 20 0 DBADRM CCCCC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C(=O)[O-] ZINC001595672635 1017094389 /nfs/dbraw/zinc/09/43/89/1017094389.db2.gz OMDBIJKXNWMANQ-SECBINFHSA-N -1 0 309.388 -0.468 20 0 DBADRM CCCC[C@H](C(=O)[O-])N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001595627570 1017095999 /nfs/dbraw/zinc/09/59/99/1017095999.db2.gz KCHBTWWSLIPIOD-WDEREUQCSA-N -1 0 320.411 -0.135 20 0 DBADRM CCC[C@@H]1CNCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001595624285 1017096327 /nfs/dbraw/zinc/09/63/27/1017096327.db2.gz ROWXNMFHZAUPHX-SNVBAGLBSA-N -1 0 316.383 -0.270 20 0 DBADRM CCCCC(=O)N1CSC[C@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC001595627211 1017096373 /nfs/dbraw/zinc/09/63/73/1017096373.db2.gz TZBKQAVKMJYCQC-IUCAKERBSA-N -1 0 304.368 -0.360 20 0 DBADRM CCCCN(CC)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001595742988 1017099490 /nfs/dbraw/zinc/09/94/90/1017099490.db2.gz SZBIJWNGOLSCJO-QWRGUYRKSA-N -1 0 300.355 -0.071 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001598547834 1017297997 /nfs/dbraw/zinc/29/79/97/1017297997.db2.gz JXIOYGHCGNRMSJ-YGRLFVJLSA-N -1 0 308.338 -0.147 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001598548867 1017298191 /nfs/dbraw/zinc/29/81/91/1017298191.db2.gz WXLIQFLXYQEGTA-RKDXNWHRSA-N -1 0 300.311 -0.670 20 0 DBADRM CN(c1ccnc(C(=O)[O-])n1)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001598546723 1017298579 /nfs/dbraw/zinc/29/85/79/1017298579.db2.gz NFKQZJOCQMDKBX-SECBINFHSA-N -1 0 321.337 -0.523 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)Cc2ccc(C(=O)[O-])nc2)C1=O ZINC001598549738 1017298859 /nfs/dbraw/zinc/29/88/59/1017298859.db2.gz UKGIDQXIXOPXBG-VIFPVBQESA-N -1 0 305.290 -0.414 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001598548866 1017299237 /nfs/dbraw/zinc/29/92/37/1017299237.db2.gz WXLIQFLXYQEGTA-IUCAKERBSA-N -1 0 300.311 -0.670 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1=O ZINC001598550132 1017299291 /nfs/dbraw/zinc/29/92/91/1017299291.db2.gz YPBDRYJWCGZWPM-XULOGPSESA-N -1 0 309.322 -0.314 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001598554285 1017300651 /nfs/dbraw/zinc/30/06/51/1017300651.db2.gz XIFPELOEBBMQRW-HUMZTAOYSA-N -1 0 314.363 -0.283 20 0 DBADRM COCC1(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCOCC1 ZINC001450067030 1010628143 /nfs/dbraw/zinc/62/81/43/1010628143.db2.gz ZWOYBMQMOMZIJX-UHFFFAOYSA-N -1 0 314.342 -0.219 20 0 DBADRM CN1C(=O)NC2(CCN(c3ncncc3C(=O)[O-])CC2)C1=O ZINC001598556786 1017301870 /nfs/dbraw/zinc/30/18/70/1017301870.db2.gz MZMABPUGAYFGTB-UHFFFAOYSA-N -1 0 305.294 -0.305 20 0 DBADRM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1=O ZINC001598555585 1017301943 /nfs/dbraw/zinc/30/19/43/1017301943.db2.gz PUIQQPWYZMNPKM-HRHDLCKOSA-N -1 0 323.349 -0.066 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N2CC3CC2(C(=O)[O-])C3)C1=O ZINC001598558482 1017303223 /nfs/dbraw/zinc/30/32/23/1017303223.db2.gz CISXKRAGFCEZOX-UHFFFAOYSA-N -1 0 309.322 -0.264 20 0 DBADRM COC(=O)[C@H]1[C@@H]2CN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC001450120151 1010641324 /nfs/dbraw/zinc/64/13/24/1010641324.db2.gz QXYQFYDUJDXWBW-MBTKJCJQSA-N -1 0 310.310 -0.653 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccnc3ccnn32)CC1=O ZINC001598561463 1017303605 /nfs/dbraw/zinc/30/36/05/1017303605.db2.gz AVVSCEYGGDLUEH-SECBINFHSA-N -1 0 303.278 -0.903 20 0 DBADRM CN1C[C@@H](C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)NCC1=O ZINC001598560992 1017303737 /nfs/dbraw/zinc/30/37/37/1017303737.db2.gz WPRZVCRQFDVWRY-MNOVXSKESA-N -1 0 311.382 -0.234 20 0 DBADRM CN1C[C@@H](C(=O)NCC[C@H](O)C(=O)[O-])c2ccccc2C1=O ZINC001598558939 1017303750 /nfs/dbraw/zinc/30/37/50/1017303750.db2.gz FSNCNONLVCZCDQ-NEPJUHHUSA-N -1 0 306.318 -0.192 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C1=O ZINC001598559684 1017303895 /nfs/dbraw/zinc/30/38/95/1017303895.db2.gz DNTYWCWEXZWJTN-YTWAJWBKSA-N -1 0 323.349 -0.114 20 0 DBADRM CN1C[C@H](NC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)CC1=O ZINC001598567979 1017309900 /nfs/dbraw/zinc/30/99/00/1017309900.db2.gz MIPABZAIOZHGQH-MRVPVSSYSA-N -1 0 307.310 -0.553 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001450158444 1010651109 /nfs/dbraw/zinc/65/11/09/1010651109.db2.gz XPGLHARYDJAIJA-HTQZYQBOSA-N -1 0 302.356 -0.230 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)C(F)F)C1 ZINC001450261862 1010669135 /nfs/dbraw/zinc/66/91/35/1010669135.db2.gz NLLNMYIBWRQMPK-UHFFFAOYSA-N -1 0 319.268 -0.938 20 0 DBADRM CN1C[C@@H](NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CCC1=O ZINC001598568407 1017309446 /nfs/dbraw/zinc/30/94/46/1017309446.db2.gz RIFFVLUVGIBZBJ-LKFCYVNXSA-N -1 0 324.337 -0.378 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)Cc2ccc(C(=O)[O-])nc2)C1=O ZINC001598549737 1017297597 /nfs/dbraw/zinc/29/75/97/1017297597.db2.gz UKGIDQXIXOPXBG-SECBINFHSA-N -1 0 305.290 -0.414 20 0 DBADRM CO[C@H](C)C(=O)N[C@H](C)C1CN(C(=O)c2cnc[nH]c2=O)C1 ZINC001450315185 1010689708 /nfs/dbraw/zinc/68/97/08/1010689708.db2.gz VCCAPGNYLATMDJ-RKDXNWHRSA-N -1 0 308.338 -0.206 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001450386518 1010717133 /nfs/dbraw/zinc/71/71/33/1010717133.db2.gz GUIAPYYOCKRZOC-JTQLQIEISA-N -1 0 306.330 -0.920 20 0 DBADRM CCCC(=O)N[C@H]1C[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001450597754 1010767860 /nfs/dbraw/zinc/76/78/60/1010767860.db2.gz BJWNPOQGIYAPIN-MGCOHNPYSA-N -1 0 322.365 -0.089 20 0 DBADRM O=C(NC[C@@H]1CCCS(=O)(=O)C1)c1c[n-]n2c1nccc2=O ZINC001450644546 1010778929 /nfs/dbraw/zinc/77/89/29/1010778929.db2.gz GTWIDCWSGBADAC-VIFPVBQESA-N -1 0 324.362 -0.423 20 0 DBADRM CC[C@H](CNC(=O)COC)NC(=O)c1c[n-]n2c1nccc2=O ZINC001450809115 1010801209 /nfs/dbraw/zinc/80/12/09/1010801209.db2.gz ZCGOVOJTBFEJMK-SECBINFHSA-N -1 0 321.337 -0.706 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)c1cnnn1C ZINC001450889122 1010812600 /nfs/dbraw/zinc/81/26/00/1010812600.db2.gz FALGWVCZQKBZLX-MRVPVSSYSA-N -1 0 321.341 -0.509 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@]12CCOC2)Cc1n[nH]c(=O)[n-]1 ZINC001481011374 1010827487 /nfs/dbraw/zinc/82/74/87/1010827487.db2.gz YTSIHYBPEFQHCS-HZMBPMFUSA-N -1 0 309.370 -0.125 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001481025026 1010828511 /nfs/dbraw/zinc/82/85/11/1010828511.db2.gz VVTVJQHLIYHDAK-WPRPVWTQSA-N -1 0 310.358 -0.885 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC001450997926 1010833475 /nfs/dbraw/zinc/83/34/75/1010833475.db2.gz NPTKOZVBHZPJBI-IONNQARKSA-N -1 0 323.353 -0.721 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H](C)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001451004321 1010835712 /nfs/dbraw/zinc/83/57/12/1010835712.db2.gz VVWBTASLCUZIRW-YUMQZZPRSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)[C@@H]1COCCO1 ZINC001481159319 1010848049 /nfs/dbraw/zinc/84/80/49/1010848049.db2.gz HWRSULLFWBRKFE-JTQLQIEISA-N -1 0 311.342 -0.994 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)[C@H]1CCNC(=O)C1 ZINC001481164948 1010849708 /nfs/dbraw/zinc/84/97/08/1010849708.db2.gz YATYXEJQJZLGRP-VIFPVBQESA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C2CC2)[C@H]2CCNC2=O)c1[O-] ZINC001481165469 1010850564 /nfs/dbraw/zinc/85/05/64/1010850564.db2.gz RHBQZOLEBYKUBP-JTQLQIEISA-N -1 0 307.354 -0.494 20 0 DBADRM CC[C@H](F)C(=O)N(C)C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001451194900 1010865777 /nfs/dbraw/zinc/86/57/77/1010865777.db2.gz YDKVYQKWUXADHG-YUMQZZPRSA-N -1 0 317.321 -0.600 20 0 DBADRM CC[C@@H](F)C(=O)N(C)C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001451194880 1010865956 /nfs/dbraw/zinc/86/59/56/1010865956.db2.gz YDKVYQKWUXADHG-HTQZYQBOSA-N -1 0 317.321 -0.600 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC1(CO)CCSCC1 ZINC001451255444 1010872695 /nfs/dbraw/zinc/87/26/95/1010872695.db2.gz RTKCUIQXMGWPST-UHFFFAOYSA-N -1 0 316.383 -0.156 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC001451361532 1010909225 /nfs/dbraw/zinc/90/92/25/1010909225.db2.gz SJJZSTVHUNFZIN-UKKRHICBSA-N -1 0 322.365 -0.323 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC001451361534 1010910024 /nfs/dbraw/zinc/91/00/24/1010910024.db2.gz SJJZSTVHUNFZIN-ZNSHCXBVSA-N -1 0 322.365 -0.323 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)C2(C3CC3)CC2)c1[O-] ZINC001451426781 1010944664 /nfs/dbraw/zinc/94/46/64/1010944664.db2.gz WMXOBKNEVVZPJO-JTQLQIEISA-N -1 0 322.365 -0.179 20 0 DBADRM CN(C(=O)CNC(=O)C1CC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481715607 1010975876 /nfs/dbraw/zinc/97/58/76/1010975876.db2.gz NFEAWKPLNAXTHQ-JTQLQIEISA-N -1 0 322.369 -0.931 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001451624017 1011014208 /nfs/dbraw/zinc/01/42/08/1011014208.db2.gz ZGIPECNNBDLNFC-VXNVDRBHSA-N -1 0 309.326 -0.659 20 0 DBADRM CCOCC(=O)N(C)C[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001451792692 1011038582 /nfs/dbraw/zinc/03/85/82/1011038582.db2.gz STQWATRFGNSOLE-VIFPVBQESA-N -1 0 314.342 -0.991 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001452015264 1011096620 /nfs/dbraw/zinc/09/66/20/1011096620.db2.gz QOSMHIPPSVSCHY-HLTSFMKQSA-N -1 0 323.353 -0.191 20 0 DBADRM COC(=O)C1(C)CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001452022620 1011097826 /nfs/dbraw/zinc/09/78/26/1011097826.db2.gz CWICCQNMEJPDPU-UHFFFAOYSA-N -1 0 316.321 -0.290 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001452154810 1011116790 /nfs/dbraw/zinc/11/67/90/1011116790.db2.gz XQHDLUFOMMWSRD-RQJHMYQMSA-N -1 0 320.371 -0.496 20 0 DBADRM CN(CCN(C)C(=O)C(C)(C)C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001452172719 1011118532 /nfs/dbraw/zinc/11/85/32/1011118532.db2.gz ORSASLDVTQYMIB-UHFFFAOYSA-N -1 0 311.342 -0.141 20 0 DBADRM Cc1nc(CNC[C@H](C)N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001482357948 1011127674 /nfs/dbraw/zinc/12/76/74/1011127674.db2.gz CHTRIGXTYJJDHP-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM Cc1conc1CNC[C@H](C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001482359000 1011128986 /nfs/dbraw/zinc/12/89/86/1011128986.db2.gz YGONIHMCPGCYSA-VIFPVBQESA-N -1 0 324.341 -0.378 20 0 DBADRM CCC(=O)NC[C@H]1CCC[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001452238232 1011131291 /nfs/dbraw/zinc/13/12/91/1011131291.db2.gz PCVTVIYHYHCVCH-RKDXNWHRSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC23CCC3)c1[O-] ZINC001452319541 1011194946 /nfs/dbraw/zinc/19/49/46/1011194946.db2.gz ZPISFSVQBNTOCZ-UWVGGRQHSA-N -1 0 322.365 -0.179 20 0 DBADRM Cc1nc(CN(C)CCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)co1 ZINC001482611604 1011217326 /nfs/dbraw/zinc/21/73/26/1011217326.db2.gz WPAZXWDPIULVCA-UHFFFAOYSA-N -1 0 322.325 -0.217 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1CCC(=O)N1C)Cc1n[nH]c(=O)[n-]1 ZINC001482619230 1011227297 /nfs/dbraw/zinc/22/72/97/1011227297.db2.gz CRHJPZJLZJVPQT-VIFPVBQESA-N -1 0 310.358 -0.979 20 0 DBADRM CN(CCN(C)C(=O)CCc1cnn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001482628843 1011234658 /nfs/dbraw/zinc/23/46/58/1011234658.db2.gz ZEFUIVOFGPOBRS-UHFFFAOYSA-N -1 0 322.373 -0.838 20 0 DBADRM CN(CCF)CCN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001482636208 1011238002 /nfs/dbraw/zinc/23/80/02/1011238002.db2.gz RYCSSDGDBKTCFS-UHFFFAOYSA-N -1 0 310.333 -0.569 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCCCC[C@@H]1CO ZINC001452538644 1011295897 /nfs/dbraw/zinc/29/58/97/1011295897.db2.gz QDTFYINJEGEOND-SNVBAGLBSA-N -1 0 305.338 -0.165 20 0 DBADRM CCc1cnc(CNC[C@H](O)CNC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001482720910 1011320897 /nfs/dbraw/zinc/32/08/97/1011320897.db2.gz IEZDJVOIOFMJLJ-VIFPVBQESA-N -1 0 323.353 -0.145 20 0 DBADRM CN1C[C@@H](COC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1=O ZINC001598568269 1017310618 /nfs/dbraw/zinc/31/06/18/1017310618.db2.gz ZOHUZVUCTLXUBQ-VIFPVBQESA-N -1 0 308.290 -0.432 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)Cc2cc(C3CC3)no2)CC1=O ZINC001598565583 1017311253 /nfs/dbraw/zinc/31/12/53/1017311253.db2.gz XOUVYFNZLHCFMF-NSHDSACASA-N -1 0 307.306 -0.152 20 0 DBADRM CN1CCC[C@@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001598593754 1017322346 /nfs/dbraw/zinc/32/23/46/1017322346.db2.gz NMIAIXBWTASPBX-SECBINFHSA-N -1 0 307.310 -0.772 20 0 DBADRM CN1CC[C@@H](C(=O)OCc2noc(CCC(=O)[O-])n2)CC1=O ZINC001598579879 1017316515 /nfs/dbraw/zinc/31/65/15/1017316515.db2.gz YJPMIEBLGUPGPY-MRVPVSSYSA-N -1 0 311.294 -0.002 20 0 DBADRM CN1CC[C@H](C(=O)N2CCSC[C@@H]2C(=O)[O-])S1(=O)=O ZINC001598580555 1017316681 /nfs/dbraw/zinc/31/66/81/1017316681.db2.gz LTWKHUPYIJEGHJ-HTQZYQBOSA-N -1 0 308.381 -0.951 20 0 DBADRM CN1CC[C@H](C(=O)Nc2ncc(C(=O)[O-])s2)S1(=O)=O ZINC001598577673 1017316966 /nfs/dbraw/zinc/31/69/66/1017316966.db2.gz INYSMIUEMYEXFH-ZCFIWIBFSA-N -1 0 305.337 -0.186 20 0 DBADRM CN1CC[C@H](C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)CC1=O ZINC001598577758 1017317119 /nfs/dbraw/zinc/31/71/19/1017317119.db2.gz FQHDQLASNBOUHF-QMMMGPOBSA-N -1 0 306.322 -0.098 20 0 DBADRM CN1CC[C@H](C(=O)OCCCc2cn(CC(=O)[O-])nn2)C1=O ZINC001598578133 1017317540 /nfs/dbraw/zinc/31/75/40/1017317540.db2.gz NEYIDNPAHGGPFZ-JTQLQIEISA-N -1 0 310.310 -0.683 20 0 DBADRM CN1CC[C@@H](C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001598579477 1017318494 /nfs/dbraw/zinc/31/84/94/1017318494.db2.gz YNXVSONHLUWOBD-DTWKUNHWSA-N -1 0 307.310 -0.772 20 0 DBADRM CN([C@H]1CCN(C)C1=O)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001598585006 1017320071 /nfs/dbraw/zinc/32/00/71/1017320071.db2.gz KQBOYBLSGQYFDY-VIFPVBQESA-N -1 0 315.351 -0.426 20 0 DBADRM CN1CC[C@@H](COC(=O)Cn2cccc(C(=O)[O-])c2=O)C1=O ZINC001598584402 1017321334 /nfs/dbraw/zinc/32/13/34/1017321334.db2.gz YEJJYBLZYVATIC-VIFPVBQESA-N -1 0 308.290 -0.432 20 0 DBADRM Cc1[nH]nc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)c1C ZINC001482992925 1011580611 /nfs/dbraw/zinc/58/06/11/1011580611.db2.gz HAGRJMVGXXHWCV-ARJAWSKDSA-N -1 0 305.342 -0.074 20 0 DBADRM CCn1nncc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001483002988 1011591624 /nfs/dbraw/zinc/59/16/24/1011591624.db2.gz BWPYLLJKISLGPP-ARJAWSKDSA-N -1 0 306.330 -0.803 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)[C@H]3CCOC3)CC2)c1[O-] ZINC001453342198 1011627724 /nfs/dbraw/zinc/62/77/24/1011627724.db2.gz VCIICOOYHUYQEQ-VIFPVBQESA-N -1 0 308.338 -0.161 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)c2ncnn21 ZINC001453365458 1011640556 /nfs/dbraw/zinc/64/05/56/1011640556.db2.gz JIFAIZMAHXHAOX-HTQZYQBOSA-N -1 0 307.314 -0.117 20 0 DBADRM Cn1ncc(CCC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)n1 ZINC001483060954 1011653745 /nfs/dbraw/zinc/65/37/45/1011653745.db2.gz QRTSEJCOAGQPEI-IHWYPQMZSA-N -1 0 320.357 -0.966 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001483071187 1011663437 /nfs/dbraw/zinc/66/34/37/1011663437.db2.gz KSFLAQYZKAAGMX-PLNGDYQASA-N -1 0 310.358 -0.813 20 0 DBADRM C[C@@]1(CO)C[C@@H](O)CN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001453750911 1011809935 /nfs/dbraw/zinc/80/99/35/1011809935.db2.gz VVLISXIZXTVWOB-CLAHSXSESA-N -1 0 320.305 -0.606 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001453985660 1011845026 /nfs/dbraw/zinc/84/50/26/1011845026.db2.gz FWDHZVYALYNPJA-ZJUUUORDSA-N -1 0 322.365 -0.137 20 0 DBADRM CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001454048367 1011851349 /nfs/dbraw/zinc/85/13/49/1011851349.db2.gz PYAONJOVJHCUFR-OQPBUACISA-N -1 0 312.326 -0.073 20 0 DBADRM CC(C)C(=O)NC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001454112034 1011868252 /nfs/dbraw/zinc/86/82/52/1011868252.db2.gz YUHLWRPWSYDIFR-VIFPVBQESA-N -1 0 311.342 -0.644 20 0 DBADRM CC(C)[C@@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001454344256 1011937721 /nfs/dbraw/zinc/93/77/21/1011937721.db2.gz ISNDYBPUFKVFSX-IWSPIJDZSA-N -1 0 323.353 -0.048 20 0 DBADRM CCCN([C@H]1CC(=O)N(C)C1=O)S(=O)(=O)CCCC(=O)[O-] ZINC001595839593 1017101526 /nfs/dbraw/zinc/10/15/26/1017101526.db2.gz KGSVNSIXKRYDST-VIFPVBQESA-N -1 0 320.367 -0.350 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)NCc1ocnc1C(=O)[O-] ZINC001595786958 1017101733 /nfs/dbraw/zinc/10/17/33/1017101733.db2.gz DMOUFAXRMHCZTB-UHFFFAOYSA-N -1 0 319.339 -0.292 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001595787508 1017101874 /nfs/dbraw/zinc/10/18/74/1017101874.db2.gz LRHJJBFKPLQDFO-NSHDSACASA-N -1 0 310.347 -0.269 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CCO1 ZINC001454464557 1011992359 /nfs/dbraw/zinc/99/23/59/1011992359.db2.gz DSGTVZNNNXSCAL-SSDOTTSWSA-N -1 0 306.278 -0.355 20 0 DBADRM CCCN(CC(C)(C)O)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001595860290 1017103176 /nfs/dbraw/zinc/10/31/76/1017103176.db2.gz KROAIUPEUCIJKM-MGCOHNPYSA-N -1 0 300.355 -0.025 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CCO1 ZINC001454464559 1011994952 /nfs/dbraw/zinc/99/49/52/1011994952.db2.gz DSGTVZNNNXSCAL-ZETCQYMHSA-N -1 0 306.278 -0.355 20 0 DBADRM CCCN(CN1C[C@H](C(=O)[O-])CC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001595886028 1017103418 /nfs/dbraw/zinc/10/34/18/1017103418.db2.gz SUOUWQZTVGTPOF-GHMZBOCLSA-N -1 0 318.395 -0.224 20 0 DBADRM CCCN(CCO)C(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001595882889 1017103615 /nfs/dbraw/zinc/10/36/15/1017103615.db2.gz NNEDNEZHFHBNAY-UHFFFAOYSA-N -1 0 300.355 -0.023 20 0 DBADRM CCCN(CCNC(=O)CNC(C)=O)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001595882364 1017103789 /nfs/dbraw/zinc/10/37/89/1017103789.db2.gz HKZAAZQINIYPMR-WDEREUQCSA-N -1 0 313.354 -0.802 20 0 DBADRM CCCN1C(=O)C(=O)N(CN2C[C@@H](C)O[C@@H](C(=O)[O-])C2)C1=O ZINC001595894544 1017103996 /nfs/dbraw/zinc/10/39/96/1017103996.db2.gz KBCRXNBOXGHIHP-RKDXNWHRSA-N -1 0 313.310 -0.681 20 0 DBADRM O=C(Cc1cccnc1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001483644539 1012003525 /nfs/dbraw/zinc/00/35/25/1012003525.db2.gz UEFKXVALFSRKBY-LLVKDONJSA-N -1 0 302.338 -0.162 20 0 DBADRM CCCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1nnnn1C ZINC001595882937 1017104336 /nfs/dbraw/zinc/10/43/36/1017104336.db2.gz OWDGDBXIBFFMLX-VHSXEESVSA-N -1 0 310.358 -0.741 20 0 DBADRM COC[C@H](NC(=O)c1cnn2c1cccc2OC)c1nnn[n-]1 ZINC001595888909 1017104559 /nfs/dbraw/zinc/10/45/59/1017104559.db2.gz JMGDUYNLUMZEAA-VIFPVBQESA-N -1 0 317.309 -0.027 20 0 DBADRM CCCNC(=O)CCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001595922968 1017106223 /nfs/dbraw/zinc/10/62/23/1017106223.db2.gz YJGKAMYAOQTLJT-JTQLQIEISA-N -1 0 313.354 -0.658 20 0 DBADRM CCCNC(=O)CN1CC=C(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001595921857 1017106551 /nfs/dbraw/zinc/10/65/51/1017106551.db2.gz MONSRRLNSPQGNW-STQMWFEESA-N -1 0 323.393 -0.018 20 0 DBADRM CCCNC(=O)CCCC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001595920628 1017106577 /nfs/dbraw/zinc/10/65/77/1017106577.db2.gz RLKKSCWUUKOPFK-QWRGUYRKSA-N -1 0 300.355 -0.023 20 0 DBADRM CCCN1C[C@H](C(=O)N2CCOC[C@H]2c2nnn[n-]2)CC1=O ZINC001454551894 1012031680 /nfs/dbraw/zinc/03/16/80/1012031680.db2.gz BXLWLAONGFVSHZ-ZJUUUORDSA-N -1 0 308.342 -0.642 20 0 DBADRM O=C(Cc1cnn2c1CCCC2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454554466 1012032101 /nfs/dbraw/zinc/03/21/01/1012032101.db2.gz PXXMQYSQXMQBMK-LBPRGKRZSA-N -1 0 317.353 -0.125 20 0 DBADRM CCCN1C[C@H](C(=O)N2CCOC[C@@H]2c2nnn[n-]2)CC1=O ZINC001454551891 1012034482 /nfs/dbraw/zinc/03/44/82/1012034482.db2.gz BXLWLAONGFVSHZ-NXEZZACHSA-N -1 0 308.342 -0.642 20 0 DBADRM CCn1cc(C(=O)C(=O)N2CCOC[C@H]2c2nnn[n-]2)cn1 ZINC001454556459 1012037353 /nfs/dbraw/zinc/03/73/53/1012037353.db2.gz VNNWIDZJYACQDI-VIFPVBQESA-N -1 0 305.298 -0.801 20 0 DBADRM O=C(CNC(=O)c1ccccc1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454555578 1012037512 /nfs/dbraw/zinc/03/75/12/1012037512.db2.gz OWGVUHXFUMZWDJ-NSHDSACASA-N -1 0 316.321 -0.470 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)Cn2cccn2)c1[O-] ZINC001454597290 1012059568 /nfs/dbraw/zinc/05/95/68/1012059568.db2.gz ZKPRNYZBVKATTH-MRVPVSSYSA-N -1 0 306.326 -0.445 20 0 DBADRM COc1cncc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001483774521 1012127778 /nfs/dbraw/zinc/12/77/78/1012127778.db2.gz YRRLWAWQUUTEQJ-UHFFFAOYSA-N -1 0 319.325 -0.639 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001483787800 1012143637 /nfs/dbraw/zinc/14/36/37/1012143637.db2.gz CODHGJHWXVCKRY-VIFPVBQESA-N -1 0 322.369 -0.740 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001483791264 1012143834 /nfs/dbraw/zinc/14/38/34/1012143834.db2.gz NNVYZVOFWCPAAC-UHFFFAOYSA-N -1 0 319.369 -0.169 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCC(c3nnn[n-]3)CC2)cn1 ZINC001455018984 1012188653 /nfs/dbraw/zinc/18/86/53/1012188653.db2.gz FONHUFNQHCBMBQ-UHFFFAOYSA-N -1 0 315.337 -0.358 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CC[C@@H](c3nnn[n-]3)C2)CC1=O ZINC001455129539 1012224906 /nfs/dbraw/zinc/22/49/06/1012224906.db2.gz FMPYUOVNTOWUMS-ZJUUUORDSA-N -1 0 308.342 -0.990 20 0 DBADRM COCCOCC(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484037619 1012261764 /nfs/dbraw/zinc/26/17/64/1012261764.db2.gz MUDDZJRKQZQXER-ZDUSSCGKSA-N -1 0 313.358 -0.746 20 0 DBADRM CSCC(=O)N(C)CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001455241968 1012299365 /nfs/dbraw/zinc/29/93/65/1012299365.db2.gz MNXYKYNNIOICHN-UHFFFAOYSA-N -1 0 323.378 -0.426 20 0 DBADRM C[C@]1(CNC(=O)c2cn[nH]n2)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484164331 1012329462 /nfs/dbraw/zinc/32/94/62/1012329462.db2.gz VAFUGZKGIXAXPC-CYBMUJFWSA-N -1 0 320.357 -0.340 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001455325321 1012340101 /nfs/dbraw/zinc/34/01/01/1012340101.db2.gz SMFZTRINKBXNDB-UHFFFAOYSA-N -1 0 307.314 -0.853 20 0 DBADRM C[C@H](C(=O)NC1(c2nnn[n-]2)CCC1)[C@@H](C)S(C)(=O)=O ZINC001455349560 1012356249 /nfs/dbraw/zinc/35/62/49/1012356249.db2.gz OPINLQSTYSBYKR-JGVFFNPUSA-N -1 0 301.372 -0.236 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)c1cn(-c2cccnc2)nn1 ZINC001455352702 1012357773 /nfs/dbraw/zinc/35/77/73/1012357773.db2.gz RNYIQZUKLWMEHL-UHFFFAOYSA-N -1 0 311.309 -0.015 20 0 DBADRM COCC(=O)N(C)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001455363786 1012358416 /nfs/dbraw/zinc/35/84/16/1012358416.db2.gz ZLVMJPXTPFUPII-UHFFFAOYSA-N -1 0 308.294 -0.237 20 0 DBADRM CC1CC(C(=O)NC[C@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001484212343 1012386426 /nfs/dbraw/zinc/38/64/26/1012386426.db2.gz QHQCBTAPISSVEI-RPFQZYLTSA-N -1 0 309.370 -0.391 20 0 DBADRM CONC(=O)C1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001455472580 1012410506 /nfs/dbraw/zinc/41/05/06/1012410506.db2.gz KXKSEHUJGWAGRG-UHFFFAOYSA-N -1 0 315.355 -0.481 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC(CO)(CO)CC1 ZINC001455526878 1012433824 /nfs/dbraw/zinc/43/38/24/1012433824.db2.gz CAJHKGBBIFSFJL-UHFFFAOYSA-N -1 0 314.342 -0.937 20 0 DBADRM CCC[C@H](C)CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484264616 1012488238 /nfs/dbraw/zinc/48/82/38/1012488238.db2.gz SSJOVKYUEVUPDX-JTQLQIEISA-N -1 0 311.386 -0.001 20 0 DBADRM COC[C@H](NC(=O)COCC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001455730519 1012496460 /nfs/dbraw/zinc/49/64/60/1012496460.db2.gz RPWUDNWOKHCEOA-QMMMGPOBSA-N -1 0 315.330 -0.638 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N[C@H](COC)c1nnn[n-]1 ZINC001455733027 1012496900 /nfs/dbraw/zinc/49/69/00/1012496900.db2.gz BTFFUWBDCNYUEP-SECBINFHSA-N -1 0 319.387 -0.392 20 0 DBADRM O=C(C=Cc1ccc[nH]1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484269806 1012497353 /nfs/dbraw/zinc/49/73/53/1012497353.db2.gz HJCGWKAOXGXFRX-ONEGZZNKSA-N -1 0 318.337 -0.785 20 0 DBADRM CC(=O)NCCN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001455844662 1012526282 /nfs/dbraw/zinc/52/62/82/1012526282.db2.gz MCUJUFUKNJAQIE-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM CC[C@H](C)C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001456205367 1012576668 /nfs/dbraw/zinc/57/66/68/1012576668.db2.gz BEXOXWCDXMZZRN-QMMMGPOBSA-N -1 0 308.338 -0.527 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484439871 1012651259 /nfs/dbraw/zinc/65/12/59/1012651259.db2.gz ILKUMJJCOAHANZ-RNCFNFMXSA-N -1 0 315.349 -0.299 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@@]1(OC)CCS(=O)(=O)C1 ZINC001456383029 1012680902 /nfs/dbraw/zinc/68/09/02/1012680902.db2.gz HXZHCUPKJDOTND-LLVKDONJSA-N -1 0 309.340 -0.809 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCc2nnn[n-]2)CO1 ZINC001456685870 1012792203 /nfs/dbraw/zinc/79/22/03/1012792203.db2.gz RZPHWCOEFMDLLW-QMMMGPOBSA-N -1 0 312.330 -0.201 20 0 DBADRM CCCCC(=O)NC[C@@H](CC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001456701326 1012799563 /nfs/dbraw/zinc/79/95/63/1012799563.db2.gz LOSMSGKUSZJENK-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM C[C@@H](NC(=O)CN1CCCS1(=O)=O)c1nn(C)cc1[O-] ZINC001456786450 1012815445 /nfs/dbraw/zinc/81/54/45/1012815445.db2.gz FJQOQFCSPUYQOY-MRVPVSSYSA-N -1 0 302.356 -0.662 20 0 DBADRM C[C@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)c1nn(C)cc1[O-] ZINC001456793841 1012816549 /nfs/dbraw/zinc/81/65/49/1012816549.db2.gz NUGYMILVOVNFCZ-ZETCQYMHSA-N -1 0 307.310 -0.986 20 0 DBADRM C[C@H](NC(=O)Cn1nc2n(c1=O)CCCC2)c1nn(C)cc1[O-] ZINC001456791209 1012816768 /nfs/dbraw/zinc/81/67/68/1012816768.db2.gz SAUNRDPRJNYXTJ-VIFPVBQESA-N -1 0 320.353 -0.302 20 0 DBADRM CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)c2c[n-]ncc2=O)C1 ZINC001456975400 1012842079 /nfs/dbraw/zinc/84/20/79/1012842079.db2.gz ONYSOWPSKFMINB-WCBMZHEXSA-N -1 0 310.310 -0.639 20 0 DBADRM CCC(=O)N[C@](C)(CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001457042399 1012845741 /nfs/dbraw/zinc/84/57/41/1012845741.db2.gz MUHUHZSLCSPPLJ-CYBMUJFWSA-N -1 0 311.342 -0.500 20 0 DBADRM CCC(=O)NC[C@@H](C)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001457246006 1012857733 /nfs/dbraw/zinc/85/77/33/1012857733.db2.gz PGRXMVDXGRSEKS-SECBINFHSA-N -1 0 313.358 -0.252 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)C2=COCCO2)c1[O-] ZINC001457242139 1012857840 /nfs/dbraw/zinc/85/78/40/1012857840.db2.gz BRNPCMNGYCKBLA-MRVPVSSYSA-N -1 0 324.337 -0.206 20 0 DBADRM C/C=C(\C)C(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001484796429 1012861996 /nfs/dbraw/zinc/86/19/96/1012861996.db2.gz VKQXBKPWEIJCNW-OTVCUZDGSA-N -1 0 307.354 -0.064 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1 ZINC001484969955 1012923596 /nfs/dbraw/zinc/92/35/96/1012923596.db2.gz OFKLQZXRESOCTM-SCZZXKLOSA-N -1 0 310.358 -0.885 20 0 DBADRM CNC(=O)CN(C)C[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001485055913 1012975943 /nfs/dbraw/zinc/97/59/43/1012975943.db2.gz NILJSHATPJSGJZ-JTQLQIEISA-N -1 0 309.370 -0.294 20 0 DBADRM CCCOCCOC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001595946600 1017109584 /nfs/dbraw/zinc/10/95/84/1017109584.db2.gz SENQVDUCPPPCMN-SECBINFHSA-N -1 0 309.340 -0.267 20 0 DBADRM CCCOC(=O)CCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001595936715 1017111045 /nfs/dbraw/zinc/11/10/45/1017111045.db2.gz MOGFTKLSFOVIPY-JTQLQIEISA-N -1 0 314.338 -0.231 20 0 DBADRM CCCC1N=NC(=S)N1CC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001596074558 1017112388 /nfs/dbraw/zinc/11/23/88/1017112388.db2.gz BDLRBLJHTIUKGV-NSHDSACASA-N -1 0 302.356 -0.529 20 0 DBADRM CCCn1c(C)nnc1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001596108792 1017113102 /nfs/dbraw/zinc/11/31/02/1017113102.db2.gz PPPTWLLBEXJQAP-JTQLQIEISA-N -1 0 316.383 -0.320 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001596181350 1017118314 /nfs/dbraw/zinc/11/83/14/1017118314.db2.gz QXLSBGIVMZKNCZ-KOLCDFICSA-N -1 0 315.370 -0.280 20 0 DBADRM CCN(CCC1CC1)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001596321290 1017125440 /nfs/dbraw/zinc/12/54/40/1017125440.db2.gz KXXBWZOXUGCPGM-VXGBXAGGSA-N -1 0 312.366 -0.071 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)cnc1C ZINC001596309140 1017126400 /nfs/dbraw/zinc/12/64/00/1017126400.db2.gz VXXOMODCRPROAV-UHFFFAOYSA-N -1 0 315.351 -0.026 20 0 DBADRM CCN(CCC(=O)NC)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001596300332 1017127033 /nfs/dbraw/zinc/12/70/33/1017127033.db2.gz VBBYRGBTXBVLTG-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM CCN(CCC(=O)NC)C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001596300380 1017127106 /nfs/dbraw/zinc/12/71/06/1017127106.db2.gz YCRQPAIZZFSWIZ-NXEZZACHSA-N -1 0 313.354 -0.850 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001596327421 1017128437 /nfs/dbraw/zinc/12/84/37/1017128437.db2.gz CISDENABVCEQST-CQSZACIVSA-N -1 0 300.355 -0.069 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)Cc1nnc(C)[nH]1 ZINC001596332934 1017128485 /nfs/dbraw/zinc/12/84/85/1017128485.db2.gz MUORYXJTVBHWJW-UWVGGRQHSA-N -1 0 323.353 -0.659 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1ncnn1CC ZINC001596333391 1017128655 /nfs/dbraw/zinc/12/86/55/1017128655.db2.gz QYYLMFBENNIAQZ-MNOVXSKESA-N -1 0 309.370 -0.043 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1cnnn1CC ZINC001596333388 1017128781 /nfs/dbraw/zinc/12/87/81/1017128781.db2.gz QYMCYRSSFWESAE-RYUDHWBXSA-N -1 0 309.370 -0.043 20 0 DBADRM CCN(CCNC(=O)C(C)(C)C(N)=O)c1ccnc(C(=O)[O-])n1 ZINC001596332972 1017128899 /nfs/dbraw/zinc/12/88/99/1017128899.db2.gz NCYLIYURTQRAAO-UHFFFAOYSA-N -1 0 323.353 -0.371 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)Cn1nccn1 ZINC001596327259 1017128908 /nfs/dbraw/zinc/12/89/08/1017128908.db2.gz VWQCQLAZSFCXQS-WDEREUQCSA-N -1 0 323.353 -0.646 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)Cc1cncn1C ZINC001596332948 1017128959 /nfs/dbraw/zinc/12/89/59/1017128959.db2.gz MWTMRHZKFYUNOC-VXGBXAGGSA-N -1 0 322.365 -0.352 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1nnnn1C1CC1 ZINC001596333631 1017130674 /nfs/dbraw/zinc/13/06/74/1017130674.db2.gz UGNHJLQCYHEQIC-WDEREUQCSA-N -1 0 322.369 -0.333 20 0 DBADRM CCN(CCNC(=O)Cc1cc[nH]n1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596334658 1017131105 /nfs/dbraw/zinc/13/11/05/1017131105.db2.gz QKXGOJJDNCSOPR-QWRGUYRKSA-N -1 0 308.338 -0.362 20 0 DBADRM CCN(CCNC(=O)c1ccn(C)n1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596336072 1017131268 /nfs/dbraw/zinc/13/12/68/1017131268.db2.gz YWDKMQUSLLKJIL-UWVGGRQHSA-N -1 0 308.338 -0.281 20 0 DBADRM CCN(CCNC(=O)c1cnns1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596335402 1017131694 /nfs/dbraw/zinc/13/16/94/1017131694.db2.gz OZHMOTPCYDBPPK-SFYZADRCSA-N -1 0 312.351 -0.163 20 0 DBADRM CCN(CCNC(=O)Cc1ccn(C)n1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596334466 1017131740 /nfs/dbraw/zinc/13/17/40/1017131740.db2.gz LVOQAQMKMXOJMM-RYUDHWBXSA-N -1 0 322.365 -0.352 20 0 DBADRM CCN(CCNC(=O)Cc1ccn(C)n1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596334465 1017132234 /nfs/dbraw/zinc/13/22/34/1017132234.db2.gz LVOQAQMKMXOJMM-NWDGAFQWSA-N -1 0 322.365 -0.352 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1cnn(C)c1 ZINC001596333883 1017132278 /nfs/dbraw/zinc/13/22/78/1017132278.db2.gz XGVRLKXKRBYLFX-GHMZBOCLSA-N -1 0 308.338 -0.281 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001596383566 1017133280 /nfs/dbraw/zinc/13/32/80/1017133280.db2.gz AXJCJHZXIZTMCE-UHFFFAOYSA-N -1 0 322.383 -0.041 20 0 DBADRM CCN(OC)C(=O)CNC(=O)COCc1ocnc1C(=O)[O-] ZINC001596380364 1017133771 /nfs/dbraw/zinc/13/37/71/1017133771.db2.gz DWRNLXRBJHUFIY-UHFFFAOYSA-N -1 0 315.282 -0.585 20 0 DBADRM CCN(CCOCCO)C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001596345226 1017134505 /nfs/dbraw/zinc/13/45/05/1017134505.db2.gz GUBWIYALFXJVNQ-UHFFFAOYSA-N -1 0 300.315 -0.019 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])CCN2C1=O ZINC001596389549 1017134573 /nfs/dbraw/zinc/13/45/73/1017134573.db2.gz JKJFWPAIBHGZQI-GUBZILKMSA-N -1 0 324.337 -0.615 20 0 DBADRM CCN1C[C@@H](NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CC1=O ZINC001596397480 1017135981 /nfs/dbraw/zinc/13/59/81/1017135981.db2.gz ITYQJAYMIQPQKQ-LKFCYVNXSA-N -1 0 324.337 -0.378 20 0 DBADRM CCN1C[C@@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1=O ZINC001596398549 1017136209 /nfs/dbraw/zinc/13/62/09/1017136209.db2.gz ZASAGKZFYJECHR-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN1C[C@H](CN2C(=O)[C@@H]3C[C@@H](C(=O)[O-])CCN3C2=O)CC1=O ZINC001596395933 1017136534 /nfs/dbraw/zinc/13/65/34/1017136534.db2.gz JVSWVCXRCZDNMK-VWYCJHECSA-N -1 0 323.349 -0.018 20 0 DBADRM CCN1C[C@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1=O ZINC001596398102 1017137095 /nfs/dbraw/zinc/13/70/95/1017137095.db2.gz SIMADLBNUYONQI-QMMMGPOBSA-N -1 0 315.351 -0.140 20 0 DBADRM CCN1C[C@H](c2nnc(N3CCO[C@@H](C(=O)[O-])C3)n2C)CC1=O ZINC001596402208 1017137227 /nfs/dbraw/zinc/13/72/27/1017137227.db2.gz KQMVGSWHVCWQKH-NXEZZACHSA-N -1 0 323.353 -0.559 20 0 DBADRM CCN1C[C@H](COC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1=O ZINC001596397685 1017137268 /nfs/dbraw/zinc/13/72/68/1017137268.db2.gz LLYJGFZFTWICTO-SNVBAGLBSA-N -1 0 322.317 -0.042 20 0 DBADRM CCN1C[C@@H](C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CC1=O ZINC001596394984 1017137608 /nfs/dbraw/zinc/13/76/08/1017137608.db2.gz QJMZQFLHSXYCFH-XPTSAGLGSA-N -1 0 309.322 -0.313 20 0 DBADRM CCN1CC[C@@H](N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)C1=O ZINC001596409537 1017139430 /nfs/dbraw/zinc/13/94/30/1017139430.db2.gz OWVMTYODAWLJOL-IUODEOHRSA-N -1 0 311.382 -0.532 20 0 DBADRM CCN1C[C@H](NS(=O)(=O)c2csnc2C(=O)[O-])CC1=O ZINC001596403416 1017140241 /nfs/dbraw/zinc/14/02/41/1017140241.db2.gz XDGOFFHHLRGHEB-ZCFIWIBFSA-N -1 0 319.364 -0.260 20 0 DBADRM CCN1CCC[C@H](N2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)C1=O ZINC001596418919 1017142269 /nfs/dbraw/zinc/14/22/69/1017142269.db2.gz YOSOTYZKOQGJRN-DOLQZWNJSA-N -1 0 309.322 -0.362 20 0 DBADRM CCN1CCN(C(=O)[C@H](C)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)CC1 ZINC001596427562 1017143036 /nfs/dbraw/zinc/14/30/36/1017143036.db2.gz HKLOXPMKYZIADK-FRRDWIJNSA-N -1 0 313.398 -0.287 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001596442937 1017145850 /nfs/dbraw/zinc/14/58/50/1017145850.db2.gz WWKZFIBNCMMJMZ-SDDRHHMPSA-N -1 0 300.355 -0.154 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001596442919 1017146680 /nfs/dbraw/zinc/14/66/80/1017146680.db2.gz WOLOVTMIARIQQE-NWDGAFQWSA-N -1 0 300.355 -0.609 20 0 DBADRM CCN1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1=O ZINC001596436516 1017147058 /nfs/dbraw/zinc/14/70/58/1017147058.db2.gz TUZBATCSGVSSFS-UHFFFAOYSA-N -1 0 301.324 -0.434 20 0 DBADRM CCN1CCN(CC(=O)OCC2(C(=O)[O-])CCC2)C(=O)C1=O ZINC001596434022 1017147127 /nfs/dbraw/zinc/14/71/27/1017147127.db2.gz IVXMUTSOYRKRJQ-UHFFFAOYSA-N -1 0 312.322 -0.525 20 0 DBADRM CCNC(=O)CC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001596456117 1017148661 /nfs/dbraw/zinc/14/86/61/1017148661.db2.gz FXMAWFQGGDEKMK-UHFFFAOYSA-N -1 0 309.326 -0.334 20 0 DBADRM CCNC(=O)NC(=O)CN1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001596485102 1017150984 /nfs/dbraw/zinc/15/09/84/1017150984.db2.gz LIEAOEAFAQXRBI-ZNSHCXBVSA-N -1 0 313.354 -0.073 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001596461731 1017151807 /nfs/dbraw/zinc/15/18/07/1017151807.db2.gz IAWZULNMMLFCJS-UHFFFAOYSA-N -1 0 323.305 -0.416 20 0 DBADRM CCNC(=O)CNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001596463758 1017151956 /nfs/dbraw/zinc/15/19/56/1017151956.db2.gz HETSCUPZPOEILV-UHFFFAOYSA-N -1 0 321.742 -0.152 20 0 DBADRM CCNC(=O)NCCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001596470769 1017152103 /nfs/dbraw/zinc/15/21/03/1017152103.db2.gz GZWMGRHYBZEJOB-VHSXEESVSA-N -1 0 301.343 -0.308 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cnc(C(=O)[O-])cn1 ZINC001596482879 1017152210 /nfs/dbraw/zinc/15/22/10/1017152210.db2.gz CBXSUIVTPGEPTI-LURJTMIESA-N -1 0 310.266 -0.434 20 0 DBADRM CCNC(=O)CN1CCN(c2ncnc(C(=O)[O-])c2OC)CC1 ZINC001596462369 1017153016 /nfs/dbraw/zinc/15/30/16/1017153016.db2.gz YLAUNYMABABMIK-UHFFFAOYSA-N -1 0 323.353 -0.559 20 0 DBADRM CCOC(=O)C(=O)N1CCN(c2cc(C(=O)[O-])ncn2)CC1 ZINC001596509600 1017155500 /nfs/dbraw/zinc/15/55/00/1017155500.db2.gz QXJJVNXWZYMTEE-UHFFFAOYSA-N -1 0 308.294 -0.614 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C(C)=O ZINC001596527466 1017157005 /nfs/dbraw/zinc/15/70/05/1017157005.db2.gz ZJCOYOGPOLLRCR-MIMYLULJSA-N -1 0 315.322 -0.155 20 0 DBADRM CCOC(=O)[C@@H](CC)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001596526508 1017157095 /nfs/dbraw/zinc/15/70/95/1017157095.db2.gz UTOVPHRCQFGMJE-DTWKUNHWSA-N -1 0 321.351 -0.714 20 0 DBADRM CCOC(=O)C1(O)CCN([C@@H](CCC(=O)[O-])C(=O)OC)CC1 ZINC001596559828 1017157987 /nfs/dbraw/zinc/15/79/87/1017157987.db2.gz NZAGTBFPXZDNLW-JTQLQIEISA-N -1 0 317.338 -0.217 20 0 DBADRM CCOC(=O)[C@H]1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001596577310 1017159906 /nfs/dbraw/zinc/15/99/06/1017159906.db2.gz WTUJPOCNPXXCNO-JTQLQIEISA-N -1 0 322.317 -0.042 20 0 DBADRM CCOC(=O)CNC(=O)[C@@H]1COCCN1CC1(C(=O)[O-])CC1 ZINC001596624685 1017165620 /nfs/dbraw/zinc/16/56/20/1017165620.db2.gz POCDYVVRGWWTAU-JTQLQIEISA-N -1 0 314.338 -0.769 20 0 DBADRM CCOC(=O)Cn1cnc(NC(=O)c2cnc(C(=O)[O-])cn2)n1 ZINC001596637649 1017165810 /nfs/dbraw/zinc/16/58/10/1017165810.db2.gz DUIGFRLARQGQBA-UHFFFAOYSA-N -1 0 320.265 -0.418 20 0 DBADRM CCOC(=O)c1cn(C)nc1NC(=O)NC[C@H](O)CC(=O)[O-] ZINC001596732396 1017167778 /nfs/dbraw/zinc/16/77/78/1017167778.db2.gz IFKPRNYVEBYDDS-SSDOTTSWSA-N -1 0 314.298 -0.446 20 0 DBADRM CCOC(=O)[C@H](C)N(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001596685849 1017168398 /nfs/dbraw/zinc/16/83/98/1017168398.db2.gz YDPGXCMCSXFLOQ-VHSXEESVSA-N -1 0 314.338 -0.280 20 0 DBADRM CCOC(=O)c1noc(CN2[C@H](C(=O)[O-])CCS2(=O)=O)n1 ZINC001596755094 1017168975 /nfs/dbraw/zinc/16/89/75/1017168975.db2.gz IUXHQIIUHCPHBF-LURJTMIESA-N -1 0 319.295 -0.765 20 0 DBADRM CCOC1(C(=O)NCCn2cc(C(=O)[O-])nn2)CCOCC1 ZINC001596797998 1017170194 /nfs/dbraw/zinc/17/01/94/1017170194.db2.gz GZMKFZFFEBZNHA-UHFFFAOYSA-N -1 0 312.326 -0.322 20 0 DBADRM CCOC1(C)CN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001596798255 1017170285 /nfs/dbraw/zinc/17/02/85/1017170285.db2.gz VNOGDVIQTGXWNM-IUCAKERBSA-N -1 0 301.343 -0.215 20 0 DBADRM CCOC1CC(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1 ZINC001596805464 1017171112 /nfs/dbraw/zinc/17/11/12/1017171112.db2.gz ZSZIXQARSJMDJL-HSOILSAZSA-N -1 0 319.379 -0.098 20 0 DBADRM CCO[C@H](C)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001596772064 1017171220 /nfs/dbraw/zinc/17/12/20/1017171220.db2.gz HDTAEDJRHAQBTC-VGMNWLOBSA-N -1 0 313.310 -0.983 20 0 DBADRM CCO[C@H]1C[C@@](NC(=O)C2(NC(N)=O)CC2)(C(=O)[O-])C1(C)C ZINC001596814548 1017171384 /nfs/dbraw/zinc/17/13/84/1017171384.db2.gz ZSWNXHXRMCHWRH-RMLUDKJBSA-N -1 0 313.354 -0.038 20 0 DBADRM CCOC(C)(C)CNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001596768820 1017171678 /nfs/dbraw/zinc/17/16/78/1017171678.db2.gz ULDNYOVJRWOOTG-VHSXEESVSA-N -1 0 316.354 -0.788 20 0 DBADRM CCOCC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C[C@H]1O ZINC001596862493 1017173820 /nfs/dbraw/zinc/17/38/20/1017173820.db2.gz VODBRSWXKUCRCY-WDEREUQCSA-N -1 0 324.337 -0.733 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001596864480 1017174290 /nfs/dbraw/zinc/17/42/90/1017174290.db2.gz WHEVKKCGWPVLEW-GWOFURMSSA-N -1 0 314.338 -0.724 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001596873177 1017176680 /nfs/dbraw/zinc/17/66/80/1017176680.db2.gz VSOJNYVUDRGSHA-BXKDBHETSA-N -1 0 322.383 -0.594 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001596872258 1017176735 /nfs/dbraw/zinc/17/67/35/1017176735.db2.gz FKZKFKZLUOOQQZ-ZJUUUORDSA-N -1 0 322.383 -0.353 20 0 DBADRM CCOC[C@@H]1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001596892873 1017177794 /nfs/dbraw/zinc/17/77/94/1017177794.db2.gz QCGXKKGESRADSQ-SECBINFHSA-N -1 0 324.337 -0.058 20 0 DBADRM CCOCCN1CCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC001596929294 1017178391 /nfs/dbraw/zinc/17/83/91/1017178391.db2.gz YWRBFAPWSXVPDO-UHFFFAOYSA-N -1 0 303.359 -0.549 20 0 DBADRM CCOCCCNC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001596916817 1017178473 /nfs/dbraw/zinc/17/84/73/1017178473.db2.gz LYYFYAZVPDZFEK-UWVGGRQHSA-N -1 0 302.327 -0.072 20 0 DBADRM CCOCCC(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001596896849 1017178866 /nfs/dbraw/zinc/17/88/66/1017178866.db2.gz HIHXPWPSDUCKDP-UHFFFAOYSA-N -1 0 307.368 -0.049 20 0 DBADRM CCOCCOCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001596935055 1017181513 /nfs/dbraw/zinc/18/15/13/1017181513.db2.gz HMAWDKGHOYMYNY-SNVBAGLBSA-N -1 0 323.367 -0.860 20 0 DBADRM CCON(C)C(=O)CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001596963333 1017183132 /nfs/dbraw/zinc/18/31/32/1017183132.db2.gz JMWLQQBANQGPDS-BDAKNGLRSA-N -1 0 308.356 -0.431 20 0 DBADRM CCON(C)C(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001596964699 1017183421 /nfs/dbraw/zinc/18/34/21/1017183421.db2.gz ZIDKUVXQZFRRJH-UHFFFAOYSA-N -1 0 323.305 -0.151 20 0 DBADRM CCOc1cc(C(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])[nH]n1 ZINC001597005285 1017183491 /nfs/dbraw/zinc/18/34/91/1017183491.db2.gz CLCRCVHSANUKSR-YUMQZZPRSA-N -1 0 310.310 -0.625 20 0 DBADRM CCS(=O)(=O)CCCNC(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001597209837 1017188678 /nfs/dbraw/zinc/18/86/78/1017188678.db2.gz OUAAZVBJWFKADI-GFCCVEGCSA-N -1 0 322.383 -0.304 20 0 DBADRM CCON(C)C(=O)CN1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001596963031 1017184483 /nfs/dbraw/zinc/18/44/83/1017184483.db2.gz CXDGJONUJLENAM-DTWKUNHWSA-N -1 0 313.310 -0.476 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])[C@@H]1SC ZINC001596979589 1017184692 /nfs/dbraw/zinc/18/46/92/1017184692.db2.gz DAJPWYZUPOQKJD-KKZNHRDASA-N -1 0 318.395 -0.007 20 0 DBADRM CCOc1cnc(C(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)cn1 ZINC001597186521 1017186859 /nfs/dbraw/zinc/18/68/59/1017186859.db2.gz WGDZVIXFOLJQTB-BDAKNGLRSA-N -1 0 323.305 -0.179 20 0 DBADRM CCOc1cccc(CC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])n1 ZINC001597149171 1017187248 /nfs/dbraw/zinc/18/72/48/1017187248.db2.gz AOCDEQPQXVAEBX-NSHDSACASA-N -1 0 319.321 -0.116 20 0 DBADRM CCOc1ccc(S(=O)(=O)NCC(=O)OCC(=O)[O-])cc1 ZINC001597136578 1017187252 /nfs/dbraw/zinc/18/72/52/1017187252.db2.gz YMDQNGNDGIMPKP-UHFFFAOYSA-N -1 0 317.319 -0.009 20 0 DBADRM CCS(=O)(=O)CCCNC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001597210030 1017189632 /nfs/dbraw/zinc/18/96/32/1017189632.db2.gz UFALJKLJVRXBQB-UHFFFAOYSA-N -1 0 303.340 -0.478 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001597224795 1017192477 /nfs/dbraw/zinc/19/24/77/1017192477.db2.gz BMKWUKHQCDCBLX-MGCOHNPYSA-N -1 0 306.384 -0.067 20 0 DBADRM CCSCC[C@H](C)NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001597259368 1017195749 /nfs/dbraw/zinc/19/57/49/1017195749.db2.gz SGKSYLUQKUSSOI-QMMMGPOBSA-N -1 0 304.368 -0.708 20 0 DBADRM CC[C@H]1C(=O)NCCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC001597355657 1017195817 /nfs/dbraw/zinc/19/58/17/1017195817.db2.gz JHXVPGIZNGYTQM-VIFPVBQESA-N -1 0 307.372 -0.762 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1)C(N)=O ZINC001597291174 1017196008 /nfs/dbraw/zinc/19/60/08/1017196008.db2.gz FYDZBSGKFRUXKC-SECBINFHSA-N -1 0 316.335 -0.064 20 0 DBADRM CC[C@@H]1OCC[C@H]1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001597303373 1017196184 /nfs/dbraw/zinc/19/61/84/1017196184.db2.gz BSPKYCQYJVNOLC-ZJUUUORDSA-N -1 0 308.338 -0.060 20 0 DBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001597303401 1017196744 /nfs/dbraw/zinc/19/67/44/1017196744.db2.gz FATREUDEUUOXRV-UTLUCORTSA-N -1 0 305.352 -0.488 20 0 DBADRM CC[C@@H](CO)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001597285352 1017196854 /nfs/dbraw/zinc/19/68/54/1017196854.db2.gz LEENINZZCHAICH-QMMMGPOBSA-N -1 0 312.326 -0.472 20 0 DBADRM CCc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n(C)n1 ZINC001597429598 1017197784 /nfs/dbraw/zinc/19/77/84/1017197784.db2.gz LDZNEKCEQBVLFT-MNOVXSKESA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1n[nH]cc1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597399893 1017198007 /nfs/dbraw/zinc/19/80/07/1017198007.db2.gz PHDRLFDZFKWNNS-DTWKUNHWSA-N -1 0 306.322 -0.367 20 0 DBADRM CCc1cc(CC(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n(C)n1 ZINC001597471508 1017198085 /nfs/dbraw/zinc/19/80/85/1017198085.db2.gz PRWVXSLQIGYINV-NEPJUHHUSA-N -1 0 322.365 -0.522 20 0 DBADRM CCc1cc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)n[nH]1 ZINC001597471159 1017199235 /nfs/dbraw/zinc/19/92/35/1017199235.db2.gz SDNHASFCXLIFQF-GZMMTYOYSA-N -1 0 308.338 -0.090 20 0 DBADRM CCc1nc[nH]c1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001597697816 1017203615 /nfs/dbraw/zinc/20/36/15/1017203615.db2.gz NFRJPLUXAVJHBH-UWVGGRQHSA-N -1 0 320.349 -0.023 20 0 DBADRM CCc1nnc(CNC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)[nH]1 ZINC001597669678 1017203647 /nfs/dbraw/zinc/20/36/47/1017203647.db2.gz CJEQREBROYWDAQ-CYBMUJFWSA-N -1 0 322.325 -0.118 20 0 DBADRM CCc1nc[nH]c1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001597697999 1017204316 /nfs/dbraw/zinc/20/43/16/1017204316.db2.gz QOFOBHPCMLRRIU-UHFFFAOYSA-N -1 0 315.351 -0.266 20 0 DBADRM CCc1nc(NC(=O)CS(=O)(=O)NC)sc1C(=O)[O-] ZINC001597680221 1017204429 /nfs/dbraw/zinc/20/44/29/1017204429.db2.gz KJRHQYNNZFQMAU-UHFFFAOYSA-N -1 0 307.353 -0.109 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC(CO)(CO)C1 ZINC001597778700 1017206079 /nfs/dbraw/zinc/20/60/79/1017206079.db2.gz WDZMUAUNSQFYES-UHFFFAOYSA-N -1 0 319.335 -0.485 20 0 DBADRM CCc1nnc(N2CC[C@H](C(=O)[O-])C2)n1Cc1nncn1C ZINC001597730420 1017206310 /nfs/dbraw/zinc/20/63/10/1017206310.db2.gz OPMGHZWRVSXGIM-VIFPVBQESA-N -1 0 305.342 -0.072 20 0 DBADRM CCc1nocc1CN1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001597756109 1017206394 /nfs/dbraw/zinc/20/63/94/1017206394.db2.gz AYOFYCHFHZTMPB-ONGXEEELSA-N -1 0 322.321 -0.184 20 0 DBADRM CCc1nnc(CN2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001597728324 1017207038 /nfs/dbraw/zinc/20/70/38/1017207038.db2.gz BJWGMBJEJDZLBC-VHSXEESVSA-N -1 0 308.338 -0.005 20 0 DBADRM CCn1c(C[S@](C)=O)nnc1N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001597855697 1017208248 /nfs/dbraw/zinc/20/82/48/1017208248.db2.gz GWOVBHLKHQGGPW-FQJNGZCASA-N -1 0 316.383 -0.145 20 0 DBADRM CCn1c([C@H](O)COC)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001597843272 1017208687 /nfs/dbraw/zinc/20/86/87/1017208687.db2.gz PYSVGESBZYJZGR-BDAKNGLRSA-N -1 0 300.315 -0.732 20 0 DBADRM CCN1C(=O)N=NC1C1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC001597846943 1017208733 /nfs/dbraw/zinc/20/87/33/1017208733.db2.gz BGBOILGNTSOMOE-UHFFFAOYSA-N -1 0 311.342 -0.616 20 0 DBADRM CCn1c(-c2nccn2C)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001597828726 1017209423 /nfs/dbraw/zinc/20/94/23/1017209423.db2.gz HCUMQVHVCWMSKK-SECBINFHSA-N -1 0 306.326 -0.012 20 0 DBADRM CCn1c(Cc2cc[nH]n2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001597857537 1017209833 /nfs/dbraw/zinc/20/98/33/1017209833.db2.gz ZDVMXIYMIHEYFN-JTQLQIEISA-N -1 0 306.326 -0.098 20 0 DBADRM CCn1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cn1 ZINC001597898139 1017210980 /nfs/dbraw/zinc/21/09/80/1017210980.db2.gz IOVSUZVFUUAMHT-BDAKNGLRSA-N -1 0 303.340 -0.641 20 0 DBADRM CCn1cc(CC(=O)NCCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001597884138 1017211160 /nfs/dbraw/zinc/21/11/60/1017211160.db2.gz BEUGDHDEWJXOMM-MNOVXSKESA-N -1 0 323.353 -0.816 20 0 DBADRM CCn1cc(CN(C)CCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001597887643 1017211366 /nfs/dbraw/zinc/21/13/66/1017211366.db2.gz QQQIIQCYPGQEHO-NEPJUHHUSA-N -1 0 309.370 -0.043 20 0 DBADRM CCn1cc(CN2C(=O)[C@@H]3C[C@@H](C(=O)[O-])CCN3C2=O)nn1 ZINC001597887231 1017211479 /nfs/dbraw/zinc/21/14/79/1017211479.db2.gz GLPYMIFQJUNAGB-WPRPVWTQSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1cc(CNC(=O)NCCC(=O)NCCC(=O)[O-])cn1 ZINC001597889574 1017211624 /nfs/dbraw/zinc/21/16/24/1017211624.db2.gz JDXXWZGRMDYMPO-UHFFFAOYSA-N -1 0 311.342 -0.317 20 0 DBADRM CCn1cc(NC(=O)NCCC(=O)NCCC(=O)[O-])ccc1=O ZINC001597896452 1017211683 /nfs/dbraw/zinc/21/16/83/1017211683.db2.gz JPPWDMCYFRMNDP-UHFFFAOYSA-N -1 0 324.337 -0.029 20 0 DBADRM CCn1cc(CNC/C=C\CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001597890704 1017211795 /nfs/dbraw/zinc/21/17/95/1017211795.db2.gz OWTYQWBMHNUFSK-BKGLOODYSA-N -1 0 307.354 -0.219 20 0 DBADRM CCn1cc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cn1 ZINC001597875756 1017211817 /nfs/dbraw/zinc/21/18/17/1017211817.db2.gz NPXISZVVNHUQDB-NWDGAFQWSA-N -1 0 320.349 -0.092 20 0 DBADRM CCn1cc(CN(C)C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cn1 ZINC001597886015 1017212334 /nfs/dbraw/zinc/21/23/34/1017212334.db2.gz PSXRAJUZJOHIBU-XYPYZODXSA-N -1 0 308.338 -0.159 20 0 DBADRM CCn1ccc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1 ZINC001597904507 1017213428 /nfs/dbraw/zinc/21/34/28/1017213428.db2.gz LOIVJLQUVHWNEX-NSHDSACASA-N -1 0 308.338 -0.158 20 0 DBADRM CCn1ccnc1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001597910943 1017213447 /nfs/dbraw/zinc/21/34/47/1017213447.db2.gz MSOIISLFJIVXDC-OAHLLOKOSA-N -1 0 322.365 -0.096 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)nc1C ZINC001597898248 1017214130 /nfs/dbraw/zinc/21/41/30/1017214130.db2.gz NSJSNDSDSZMTPL-GFCCVEGCSA-N -1 0 317.367 -0.019 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)cn1 ZINC001597898150 1017214693 /nfs/dbraw/zinc/21/46/93/1017214693.db2.gz ITOXEQUBKHVWHU-JTQLQIEISA-N -1 0 316.383 -0.460 20 0 DBADRM CCn1cnnc1CNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001597923307 1017216170 /nfs/dbraw/zinc/21/61/70/1017216170.db2.gz MVQJNPMJZKUYHP-IINYFYTJSA-N -1 0 323.353 -0.069 20 0 DBADRM CCn1[nH]c(C)nc1=NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001597944505 1017216515 /nfs/dbraw/zinc/21/65/15/1017216515.db2.gz IORULLZSVGYCON-CYBMUJFWSA-N -1 0 322.325 -0.134 20 0 DBADRM CCn1nc(C)c(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001597928843 1017216806 /nfs/dbraw/zinc/21/68/06/1017216806.db2.gz XMUGTFDJIVTPGU-ZJUUUORDSA-N -1 0 321.337 -0.732 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@H](C(=O)[O-])c1ccn(C)n1 ZINC001597922646 1017216974 /nfs/dbraw/zinc/21/69/74/1017216974.db2.gz AIRZDYHASYWJOA-JTQLQIEISA-N -1 0 313.339 -0.259 20 0 DBADRM CCn1nc(C)c(CNC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)n1 ZINC001597938045 1017217466 /nfs/dbraw/zinc/21/74/66/1017217466.db2.gz DNEFWHMMGIZPGH-CMPLNLGQSA-N -1 0 316.383 -0.416 20 0 DBADRM CCn1ncc(C(=O)N[C@@H](CO)C(=O)[O-])c1Br ZINC001597949841 1017217506 /nfs/dbraw/zinc/21/75/06/1017217506.db2.gz GKUOFOXRRCDRIR-LURJTMIESA-N -1 0 306.116 -0.159 20 0 DBADRM CCn1ncc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1 ZINC001597957036 1017219107 /nfs/dbraw/zinc/21/91/07/1017219107.db2.gz KQGPRXUKYJXJJH-JTQLQIEISA-N -1 0 309.326 -0.763 20 0 DBADRM CCn1nccc1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597962472 1017219696 /nfs/dbraw/zinc/21/96/96/1017219696.db2.gz JJSSBOJVUWRUSX-WDEREUQCSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1ncc(CN2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001597957191 1017220137 /nfs/dbraw/zinc/22/01/37/1017220137.db2.gz OJFNKEZPBYDLGG-VXGBXAGGSA-N -1 0 307.354 -0.339 20 0 DBADRM CCn1nccc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597962468 1017220297 /nfs/dbraw/zinc/22/02/97/1017220297.db2.gz JJSSBOJVUWRUSX-MNOVXSKESA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1nnc(C)c1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001597973045 1017221439 /nfs/dbraw/zinc/22/14/39/1017221439.db2.gz OPAOZUWRGUUSFL-JTQLQIEISA-N -1 0 302.356 -0.710 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001597975870 1017221653 /nfs/dbraw/zinc/22/16/53/1017221653.db2.gz MRILLAFCZDDERC-CQSZACIVSA-N -1 0 323.353 -0.373 20 0 DBADRM CCn1nncc1C(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001597973668 1017221657 /nfs/dbraw/zinc/22/16/57/1017221657.db2.gz DUWNFGJJDORDFI-IUCAKERBSA-N -1 0 321.337 -0.603 20 0 DBADRM CCn1nncc1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001597974018 1017222362 /nfs/dbraw/zinc/22/23/62/1017222362.db2.gz LXBLBYBLCPNPIY-RKDXNWHRSA-N -1 0 309.326 -0.793 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@](O)(C(F)F)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597982843 1017223650 /nfs/dbraw/zinc/22/36/50/1017223650.db2.gz PEGSNPIVCKPLNE-BFHDXFOESA-N -1 0 320.292 -0.464 20 0 DBADRM CN(C(=O)[C@H]([NH3+])CCC(=O)[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC001597991580 1017224257 /nfs/dbraw/zinc/22/42/57/1017224257.db2.gz QAJZOVFXYCQRPP-MXWKQRLJSA-N -1 0 320.411 -0.007 20 0 DBADRM CN(C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1)[C@@H]1CCSC1 ZINC001597981643 1017225009 /nfs/dbraw/zinc/22/50/09/1017225009.db2.gz DZQFQTYCCTXMKQ-ZJUUUORDSA-N -1 0 316.379 -0.348 20 0 DBADRM CN(C(=O)Nc1cc(C(=O)[O-])nn1C)[C@H]1CCS(=O)(=O)C1 ZINC001598056848 1017230963 /nfs/dbraw/zinc/23/09/63/1017230963.db2.gz WIEKEVCIFRNREG-ZETCQYMHSA-N -1 0 316.339 -0.231 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(CC(=O)C2(C(=O)[O-])CC2)c1 ZINC001598283217 1017255625 /nfs/dbraw/zinc/25/56/25/1017255625.db2.gz UBVIUZCHWOANSB-UHFFFAOYSA-N -1 0 301.324 -0.433 20 0 DBADRM CN([C@]1(CO)CCOC1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001598366263 1017259571 /nfs/dbraw/zinc/25/95/71/1017259571.db2.gz LMCRAXZXFKCQNW-LBPRGKRZSA-N -1 0 318.351 -0.505 20 0 DBADRM CN(C[C@H]1CCCOC1)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001598459973 1017269416 /nfs/dbraw/zinc/26/94/16/1017269416.db2.gz DFBZNWHWXBIYSV-SECBINFHSA-N -1 0 324.337 -0.058 20 0 DBADRM CN(CC1(O)CCOCC1)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001598444047 1017269465 /nfs/dbraw/zinc/26/94/65/1017269465.db2.gz RRFDESQYFOBHLQ-UHFFFAOYSA-N -1 0 307.368 -0.203 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)CC1OCCCO1 ZINC001598496185 1017289892 /nfs/dbraw/zinc/28/98/92/1017289892.db2.gz YBCOXUWUHIJIEK-UHFFFAOYSA-N -1 0 324.337 -0.380 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@]1(C)CCC(=O)N1 ZINC001598495580 1017290054 /nfs/dbraw/zinc/29/00/54/1017290054.db2.gz KBQRYYPBFRDBDX-AWEZNQCLSA-N -1 0 321.337 -0.286 20 0 DBADRM CN(CCOCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ncccn1 ZINC001598497813 1017292363 /nfs/dbraw/zinc/29/23/63/1017292363.db2.gz LDKVRIZFEHMBHX-GHMZBOCLSA-N -1 0 308.338 -0.234 20 0 DBADRM CN(Cc1cc[nH]n1)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001598508770 1017292621 /nfs/dbraw/zinc/29/26/21/1017292621.db2.gz BMNBGNDVLAIYNQ-NWDGAFQWSA-N -1 0 320.349 -0.063 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)C[C@H]2CSCCS2)CC1=O ZINC001598563380 1017305177 /nfs/dbraw/zinc/30/51/77/1017305177.db2.gz QDGOGBFEMNXWKR-IUCAKERBSA-N -1 0 318.420 -0.021 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cn(C(C)(C)C)nn2)CC1=O ZINC001598562294 1017305191 /nfs/dbraw/zinc/30/51/91/1017305191.db2.gz JAPNUUOADWTJLF-SECBINFHSA-N -1 0 309.326 -0.600 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc3nccnc3c2)CC1=O ZINC001598562103 1017305577 /nfs/dbraw/zinc/30/55/77/1017305577.db2.gz HRLUPWVAOXTVFM-GFCCVEGCSA-N -1 0 314.301 -0.003 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C[C@@H]2CC3(CO2)CCOCC3)CC1=O ZINC001598562902 1017306009 /nfs/dbraw/zinc/30/60/09/1017306009.db2.gz GBEFESVDRHMASR-NWDGAFQWSA-N -1 0 312.366 -0.201 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(CCCNC(=O)C(F)(F)F)CC1=O ZINC001598562915 1017306229 /nfs/dbraw/zinc/30/62/29/1017306229.db2.gz GIIFGMHKONUAKZ-SSDOTTSWSA-N -1 0 311.260 -0.718 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3nccn3c2)CC1=O ZINC001598562040 1017306250 /nfs/dbraw/zinc/30/62/50/1017306250.db2.gz GNSVVTBKIVDJRO-JTQLQIEISA-N -1 0 302.290 -0.298 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cnn3c2OCCC3)CC1=O ZINC001598562806 1017306372 /nfs/dbraw/zinc/30/63/72/1017306372.db2.gz FESSUQLXYGJZDX-VIFPVBQESA-N -1 0 308.294 -0.967 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cccc3[nH]ncc32)CC1=O ZINC001598561857 1017306392 /nfs/dbraw/zinc/30/63/92/1017306392.db2.gz FUFGSSKKJMTHDI-NSHDSACASA-N -1 0 302.290 -0.070 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)C[C@@H]2CSCCS2)CC1=O ZINC001598563381 1017306443 /nfs/dbraw/zinc/30/64/43/1017306443.db2.gz QDGOGBFEMNXWKR-RKDXNWHRSA-N -1 0 318.420 -0.021 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)C(F)(F)c2nccs2)CC1=O ZINC001598563357 1017306532 /nfs/dbraw/zinc/30/65/32/1017306532.db2.gz PWRLBWHUVHZGQO-ZCFIWIBFSA-N -1 0 319.289 -0.011 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C[C@H]2CCCS(=O)(=O)C2)CC1=O ZINC001598564482 1017307475 /nfs/dbraw/zinc/30/74/75/1017307475.db2.gz VEQRYEFEIDBXFK-ZJUUUORDSA-N -1 0 304.368 -0.962 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C[C@H](O)CCC2(O)CCC2)CC1=O ZINC001598564107 1017307567 /nfs/dbraw/zinc/30/75/67/1017307567.db2.gz QDMGAYAZAVGVGS-GHMZBOCLSA-N -1 0 300.355 -0.730 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)COCc2cccnc2)CC1=O ZINC001598565214 1017307870 /nfs/dbraw/zinc/30/78/70/1017307870.db2.gz QVLSYFPCAWDXOX-LLVKDONJSA-N -1 0 307.306 -0.648 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)CCCn2ccccc2=O)CC1=O ZINC001598565388 1017307984 /nfs/dbraw/zinc/30/79/84/1017307984.db2.gz UADSIPDVAKQTJF-LLVKDONJSA-N -1 0 321.333 -0.618 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N[C@@](C)(CCF)C(=O)[O-])C1 ZINC001598623597 1017355235 /nfs/dbraw/zinc/35/52/35/1017355235.db2.gz KUBUBAABHAPEBA-KOLCDFICSA-N -1 0 312.363 -0.561 20 0 DBADRM CN1CCC[C@H](NS(=O)(=O)c2csnc2C(=O)[O-])C1=O ZINC001598593122 1017322920 /nfs/dbraw/zinc/32/29/20/1017322920.db2.gz FUTZCUHVFVJNOT-LURJTMIESA-N -1 0 319.364 -0.260 20 0 DBADRM C[NH+]1CCC(O[N-]C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1 ZINC001598587934 1017324467 /nfs/dbraw/zinc/32/44/67/1017324467.db2.gz KAWAHSKVRJZQJE-LLVKDONJSA-N -1 0 313.354 -0.548 20 0 DBADRM CN1CC[C@H](NC(=O)N2CCSC[C@H](C(=O)[O-])C2)C1=O ZINC001598586760 1017324534 /nfs/dbraw/zinc/32/45/34/1017324534.db2.gz QWJYNFLSBSIEBE-BDAKNGLRSA-N -1 0 301.368 -0.324 20 0 DBADRM CN1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001598588786 1017325054 /nfs/dbraw/zinc/32/50/54/1017325054.db2.gz HHXUSOVJKGWWES-MRVPVSSYSA-N -1 0 311.363 -0.117 20 0 DBADRM CN1CCC[C@@H](OC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1=O ZINC001598593558 1017325317 /nfs/dbraw/zinc/32/53/17/1017325317.db2.gz IVCYWHRMADIPHP-VHSXEESVSA-N -1 0 312.322 -0.526 20 0 DBADRM Cn1ccc([C@H](NC(=O)[C@@H]2CCCCN(C)C2=O)C(=O)[O-])n1 ZINC001598597450 1017326749 /nfs/dbraw/zinc/32/67/49/1017326749.db2.gz CVVKUMHMXUMOMX-ONGXEEELSA-N -1 0 308.338 -0.080 20 0 DBADRM CN1CCCC[C@@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])C1=O ZINC001598598771 1017328082 /nfs/dbraw/zinc/32/80/82/1017328082.db2.gz OTIIJXLYSQXBRM-WDEREUQCSA-N -1 0 308.338 -0.220 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001598604349 1017334615 /nfs/dbraw/zinc/33/46/15/1017334615.db2.gz IFSVPBIFHMEFKM-GHMZBOCLSA-N -1 0 312.370 -0.830 20 0 DBADRM CN1CCN(C(=O)COCc2ocnc2C(=O)[O-])C[C@H]1CO ZINC001598606763 1017337519 /nfs/dbraw/zinc/33/75/19/1017337519.db2.gz CDJZOOXVJVRNCH-VIFPVBQESA-N -1 0 313.310 -0.976 20 0 DBADRM CN1CCN(CC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1=O ZINC001598613624 1017340274 /nfs/dbraw/zinc/34/02/74/1017340274.db2.gz AJNWGAFPZZACED-UHFFFAOYSA-N -1 0 323.353 -0.585 20 0 DBADRM CN1CCN(CC(=O)N2CCSC[C@@H](C(=O)[O-])C2)CC1=O ZINC001598614734 1017341154 /nfs/dbraw/zinc/34/11/54/1017341154.db2.gz CGCJQQCMTJZWOV-JTQLQIEISA-N -1 0 315.395 -0.963 20 0 DBADRM C[N@@H+]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C[C@@H](C(=O)[O-])C1 ZINC001598613402 1017341707 /nfs/dbraw/zinc/34/17/07/1017341707.db2.gz SBWAKTBMFRJOAD-VIFPVBQESA-N -1 0 319.321 -0.889 20 0 DBADRM CN1CCN(C)CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001598614470 1017343422 /nfs/dbraw/zinc/34/34/22/1017343422.db2.gz NXSCNJVTEGVBHB-TXEJJXNPSA-N -1 0 319.427 -0.641 20 0 DBADRM CN1CCN(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1=O ZINC001598616877 1017348668 /nfs/dbraw/zinc/34/86/68/1017348668.db2.gz ZNYDATSIZDRADF-COPLHBTASA-N -1 0 309.366 -0.528 20 0 DBADRM CN1CCN(CC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC001598616739 1017349006 /nfs/dbraw/zinc/34/90/06/1017349006.db2.gz VRJIYBJYKGYNTJ-MLGOLLRUSA-N -1 0 323.393 -0.136 20 0 DBADRM CN1CCN(S(=O)(=O)c2csnc2C(=O)[O-])[C@@H](CO)C1 ZINC001598620374 1017350633 /nfs/dbraw/zinc/35/06/33/1017350633.db2.gz ZRWVPIWHTGRESM-SSDOTTSWSA-N -1 0 321.380 -0.862 20 0 DBADRM CN1CCN(S(=O)(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CC1 ZINC001598621606 1017350858 /nfs/dbraw/zinc/35/08/58/1017350858.db2.gz SPKDEIGAWQIRPO-KXNHARMFSA-N -1 0 317.411 -0.433 20 0 DBADRM CN1CCN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1=O ZINC001598622025 1017352066 /nfs/dbraw/zinc/35/20/66/1017352066.db2.gz YJCFUGAEKSDZRZ-VHSXEESVSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001497369591 1017353741 /nfs/dbraw/zinc/35/37/41/1017353741.db2.gz FKKDINOATZNHOA-IONNQARKSA-N -1 0 321.337 -0.340 20 0 DBADRM Cn1c([C@@H]2COCCN2C)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001598625282 1017354738 /nfs/dbraw/zinc/35/47/38/1017354738.db2.gz MBNUMXGHLRYNIZ-VHSXEESVSA-N -1 0 311.342 -0.892 20 0 DBADRM CN1CCO[C@@H](C(=O)NCCNc2ncc(C(=O)[O-])cn2)C1 ZINC001598624940 1017354974 /nfs/dbraw/zinc/35/49/74/1017354974.db2.gz IXBVHXVPSREFAA-SNVBAGLBSA-N -1 0 309.326 -0.967 20 0 DBADRM Cn1c([C@H]2COCCN2C)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001598625717 1017355404 /nfs/dbraw/zinc/35/54/04/1017355404.db2.gz RCOIINYBLSVXGY-RNCFNFMXSA-N -1 0 313.333 -0.179 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)C1=O ZINC001598623848 1017355960 /nfs/dbraw/zinc/35/59/60/1017355960.db2.gz BAZXDRSPNFLVEQ-WFASDCNBSA-N -1 0 321.333 -0.255 20 0 DBADRM Cn1c([C@H]2COCCN2C)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001598625284 1017356017 /nfs/dbraw/zinc/35/60/17/1017356017.db2.gz MBNUMXGHLRYNIZ-ZJUUUORDSA-N -1 0 311.342 -0.892 20 0 DBADRM CN1CCc2c(cccc2S(=O)(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC001598626669 1017357334 /nfs/dbraw/zinc/35/73/34/1017357334.db2.gz HOWLBESLHXGJJH-NSHDSACASA-N -1 0 314.363 -0.602 20 0 DBADRM CN1CCn2c(CNC(=O)CC(C)(C)CC(=O)[O-])nnc2C1=O ZINC001598627940 1017357663 /nfs/dbraw/zinc/35/76/63/1017357663.db2.gz WLRLNEGEGISFFG-UHFFFAOYSA-N -1 0 323.353 -0.129 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCCC2)CC1=O ZINC001598628714 1017359071 /nfs/dbraw/zinc/35/90/71/1017359071.db2.gz RQYWEMTXJPJVQD-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CN1CN(C(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])CC1=O ZINC001598627598 1017359723 /nfs/dbraw/zinc/35/97/23/1017359723.db2.gz CEUTWTOOZSBPMG-UHFFFAOYSA-N -1 0 309.253 -0.280 20 0 DBADRM CN1CCO[C@@H](C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001598626125 1017359978 /nfs/dbraw/zinc/35/99/78/1017359978.db2.gz SUCFCXFAIGSDLY-CMPLNLGQSA-N -1 0 323.353 -0.530 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC001598632809 1017360547 /nfs/dbraw/zinc/36/05/47/1017360547.db2.gz KEKWQLVQRJLXJX-GZMMTYOYSA-N -1 0 316.321 -0.452 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC001598634313 1017361116 /nfs/dbraw/zinc/36/11/16/1017361116.db2.gz XGVXBCAJSRWISB-GMOBBJLQSA-N -1 0 319.365 -0.078 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001598631764 1017361806 /nfs/dbraw/zinc/36/18/06/1017361806.db2.gz BAXMNSFSCLBKFP-LKFCYVNXSA-N -1 0 307.354 -0.076 20 0 DBADRM CNC(=O)C1(C(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)CC1 ZINC001598633049 1017361941 /nfs/dbraw/zinc/36/19/41/1017361941.db2.gz JYFICJCSKUHSBC-VIFPVBQESA-N -1 0 312.322 -0.479 20 0 DBADRM CNC(=O)[C@@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])n2)CCO1 ZINC001598637502 1017364602 /nfs/dbraw/zinc/36/46/02/1017364602.db2.gz LYTWUCZIFXLTCF-JTQLQIEISA-N -1 0 322.321 -0.835 20 0 DBADRM CNC(=O)C1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC001598638751 1017364698 /nfs/dbraw/zinc/36/46/98/1017364698.db2.gz LAHBRIWDLMNNSJ-UHFFFAOYSA-N -1 0 319.317 -0.543 20 0 DBADRM CNC(=O)[C@@H]1CN(S(=O)(=O)CCCCCC(=O)[O-])CCO1 ZINC001598637665 1017364793 /nfs/dbraw/zinc/36/47/93/1017364793.db2.gz NYLPMXGKQDUNFP-JTQLQIEISA-N -1 0 322.383 -0.592 20 0 DBADRM CNC(=O)CCCCC(=O)N[C@H](CCC(=O)OC)C(=O)[O-] ZINC001598642934 1017366138 /nfs/dbraw/zinc/36/61/38/1017366138.db2.gz VSXXUVKKFGFMEC-SECBINFHSA-N -1 0 302.327 -0.185 20 0 DBADRM CNC(=O)CN1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001598642470 1017366218 /nfs/dbraw/zinc/36/62/18/1017366218.db2.gz JVIMONFOJIHHHG-UHFFFAOYSA-N -1 0 319.361 -0.183 20 0 DBADRM CNC(=O)CCCNC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001598643400 1017366477 /nfs/dbraw/zinc/36/64/77/1017366477.db2.gz XECKFSHHCHTTDK-BDAKNGLRSA-N -1 0 315.326 -0.972 20 0 DBADRM CNC(=O)CNC(=O)c1cccc(NC(=O)C2(C(=O)[O-])CC2)c1 ZINC001598645559 1017367377 /nfs/dbraw/zinc/36/73/77/1017367377.db2.gz YUWPVQHQBQCKHM-UHFFFAOYSA-N -1 0 319.317 -0.034 20 0 DBADRM CNC(=O)NCCNS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001598650215 1017369156 /nfs/dbraw/zinc/36/91/56/1017369156.db2.gz BECKLJFIGYTKGT-UHFFFAOYSA-N -1 0 319.314 -0.269 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001598647774 1017369354 /nfs/dbraw/zinc/36/93/54/1017369354.db2.gz SKOBROYHXUXGRE-UHFFFAOYSA-N -1 0 307.306 -0.362 20 0 DBADRM CNC(=O)Cc1noc(CN2CCC([C@@H](O)C(=O)[O-])CC2)n1 ZINC001598648410 1017369637 /nfs/dbraw/zinc/36/96/37/1017369637.db2.gz IPHYYVYSECSETJ-GFCCVEGCSA-N -1 0 312.326 -0.984 20 0 DBADRM CNC(=O)Cn1nc(N[C@H]2CCN(CCC(=O)[O-])C2=O)cc1C ZINC001598651193 1017369765 /nfs/dbraw/zinc/36/97/65/1017369765.db2.gz NPSFLYAUVDJJSI-JTQLQIEISA-N -1 0 323.353 -0.575 20 0 DBADRM CNC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001598650439 1017369964 /nfs/dbraw/zinc/36/99/64/1017369964.db2.gz BDYYQUPISLNFAT-OUAUKWLOSA-N -1 0 313.354 -0.071 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)c2cc(C(=O)[O-])co2)CCO1 ZINC001598650951 1017370203 /nfs/dbraw/zinc/37/02/03/1017370203.db2.gz GQKSNYBCFSYTBO-VIFPVBQESA-N -1 0 311.294 -0.252 20 0 DBADRM CNC(=O)N1CCN(C(=O)CCCn2ccc(C(=O)[O-])n2)CC1 ZINC001598652735 1017370978 /nfs/dbraw/zinc/37/09/78/1017370978.db2.gz UTCBLHYDZKFPEJ-UHFFFAOYSA-N -1 0 323.353 -0.155 20 0 DBADRM CNC(=O)NC(=O)CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598652756 1017371350 /nfs/dbraw/zinc/37/13/50/1017371350.db2.gz VFZIOTLIOJWULC-MRVPVSSYSA-N -1 0 310.314 -0.931 20 0 DBADRM CNC(=O)N[C@@H]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001598653593 1017371543 /nfs/dbraw/zinc/37/15/43/1017371543.db2.gz VQARJWVMCJXQQL-MRVPVSSYSA-N -1 0 307.310 -0.292 20 0 DBADRM CNC(=O)[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C(C)C ZINC001598655579 1017371995 /nfs/dbraw/zinc/37/19/95/1017371995.db2.gz CURMIVASKXVRCL-ONGXEEELSA-N -1 0 313.354 -0.804 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)NCCCCC(=O)[O-] ZINC001598653757 1017372177 /nfs/dbraw/zinc/37/21/77/1017372177.db2.gz RRWYGORCHLMUHX-SNVBAGLBSA-N -1 0 316.358 -0.419 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001598655841 1017372761 /nfs/dbraw/zinc/37/27/61/1017372761.db2.gz OSVBLNOPANVJHX-APHKKCJPSA-N -1 0 324.337 -0.939 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001598654644 1017372830 /nfs/dbraw/zinc/37/28/30/1017372830.db2.gz SKLACYDPVLEZNA-ZCFIWIBFSA-N -1 0 311.269 -0.287 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1c1nc(C)cc(C(=O)[O-])n1 ZINC001598653647 1017373014 /nfs/dbraw/zinc/37/30/14/1017373014.db2.gz QDJPWHVLXCWJRL-VIFPVBQESA-N -1 0 309.326 -0.383 20 0 DBADRM CN[C@H](C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1)c1cnn(C)c1 ZINC001598661548 1017373990 /nfs/dbraw/zinc/37/39/90/1017373990.db2.gz HIDWFVNUQLGUNE-WCQGTBRESA-N -1 0 310.354 -0.466 20 0 DBADRM CNC(=O)c1cccc(C(=O)O[C@H](CC(=O)OC)C(=O)[O-])n1 ZINC001598659579 1017374635 /nfs/dbraw/zinc/37/46/35/1017374635.db2.gz SSDSVHMPCNVNIK-SECBINFHSA-N -1 0 310.262 -0.386 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)cc1 ZINC001598657709 1017375048 /nfs/dbraw/zinc/37/50/48/1017375048.db2.gz NRZXVFLXDGSZPY-UHFFFAOYSA-N -1 0 319.317 -0.034 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])c(C)c1 ZINC001598657628 1017375400 /nfs/dbraw/zinc/37/54/00/1017375400.db2.gz MCVAIGFPQYHPQW-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001598656382 1017375653 /nfs/dbraw/zinc/37/56/53/1017375653.db2.gz BJXVJXVESVWQDZ-GHMZBOCLSA-N -1 0 307.306 -0.509 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])n1 ZINC001598659686 1017375663 /nfs/dbraw/zinc/37/56/63/1017375663.db2.gz ZJTZJDOFKDARRL-LLVKDONJSA-N -1 0 317.305 -0.479 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001598661946 1017375714 /nfs/dbraw/zinc/37/57/14/1017375714.db2.gz PSPXHPHBDLSWOS-NKWVEPMBSA-N -1 0 311.298 -0.627 20 0 DBADRM CNC(=O)c1ccc(C(=O)NC2(C(=O)[O-])CC(CO)C2)cn1 ZINC001598656555 1017376076 /nfs/dbraw/zinc/37/60/76/1017376076.db2.gz KJXXZIFCZVHOCO-UHFFFAOYSA-N -1 0 307.306 -0.603 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])on1 ZINC001598670716 1017379426 /nfs/dbraw/zinc/37/94/26/1017379426.db2.gz GOBFYQDBFTYRKR-ZETCQYMHSA-N -1 0 317.323 -0.473 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC001598669834 1017379768 /nfs/dbraw/zinc/37/97/68/1017379768.db2.gz SEWZDWQOWNYCDC-JTQLQIEISA-N -1 0 314.367 -0.312 20 0 DBADRM CNS(=O)(=O)C1CCN(c2nccc(C(=O)[O-])n2)CC1 ZINC001598669696 1017380617 /nfs/dbraw/zinc/38/06/17/1017380617.db2.gz QZSVHUQHBQOKKT-UHFFFAOYSA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001598669838 1017380719 /nfs/dbraw/zinc/38/07/19/1017380719.db2.gz SJXIZVCQWGGUGE-JTQLQIEISA-N -1 0 302.308 -0.817 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001598668776 1017380832 /nfs/dbraw/zinc/38/08/32/1017380832.db2.gz BXXAOQUNAYFPSI-JTQLQIEISA-N -1 0 318.326 -0.513 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001598671183 1017382465 /nfs/dbraw/zinc/38/24/65/1017382465.db2.gz NMUFVALTNJWNIR-JTQLQIEISA-N -1 0 321.399 -0.274 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001598672157 1017382927 /nfs/dbraw/zinc/38/29/27/1017382927.db2.gz NSXVQYQMHZUICI-UHFFFAOYSA-N -1 0 316.339 -0.159 20 0 DBADRM CNS(=O)(=O)CCN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598672451 1017383403 /nfs/dbraw/zinc/38/34/03/1017383403.db2.gz SMGURYSCXQNZIL-VIFPVBQESA-N -1 0 317.371 -0.838 20 0 DBADRM CNS(=O)(=O)NCC(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001598671059 1017383618 /nfs/dbraw/zinc/38/36/18/1017383618.db2.gz MYKOBVXIWWASEF-UHFFFAOYSA-N -1 0 307.372 -0.714 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@H](COC)C(=O)[O-])cc1 ZINC001598674863 1017384307 /nfs/dbraw/zinc/38/43/07/1017384307.db2.gz OLIGGBUEHYSPOA-JTQLQIEISA-N -1 0 316.335 -0.576 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)C(=O)[O-])c1 ZINC001598676445 1017385630 /nfs/dbraw/zinc/38/56/30/1017385630.db2.gz HUSRAVDPTXMPPM-LBPRGKRZSA-N -1 0 316.335 -0.840 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)O[C@@H](C)C(=O)C(=O)[O-])c1 ZINC001598677697 1017385811 /nfs/dbraw/zinc/38/58/11/1017385811.db2.gz YPTFQLBREWXXAQ-YFKPBYRVSA-N -1 0 321.332 -0.145 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001598676233 1017386154 /nfs/dbraw/zinc/38/61/54/1017386154.db2.gz BGZWPBUYTOCTMT-VIFPVBQESA-N -1 0 316.335 -0.840 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)N2CC[C@@H]2C(=O)[O-])c1 ZINC001598677144 1017386488 /nfs/dbraw/zinc/38/64/88/1017386488.db2.gz HSJRDAJHKHGTRA-SSDOTTSWSA-N -1 0 304.349 -0.045 20 0 DBADRM CNc1nnc(CC(=O)N[C@H](CCC(=O)OC)C(=O)[O-])s1 ZINC001598683061 1017387974 /nfs/dbraw/zinc/38/79/74/1017387974.db2.gz YXRJKIFRVMUKRE-ZCFIWIBFSA-N -1 0 316.339 -0.355 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001598688813 1017388116 /nfs/dbraw/zinc/38/81/16/1017388116.db2.gz SBJLRUYRSQBHMQ-KCJUWKMLSA-N -1 0 309.340 -0.699 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001598688691 1017388188 /nfs/dbraw/zinc/38/81/88/1017388188.db2.gz REVRRQUBNKTLIY-CABZTGNLSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)/C(C)=C\COC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598689623 1017388214 /nfs/dbraw/zinc/38/82/14/1017388214.db2.gz WNRFZAZQUKYILQ-BSKOKIOFSA-N -1 0 313.306 -0.028 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001598688693 1017388761 /nfs/dbraw/zinc/38/87/61/1017388761.db2.gz REVRRQUBNKTLIY-JOYOIKCWSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)/C(C)=C\COC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598689625 1017389148 /nfs/dbraw/zinc/38/91/48/1017389148.db2.gz WNRFZAZQUKYILQ-HYHWUIIZSA-N -1 0 313.306 -0.028 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001598688697 1017389160 /nfs/dbraw/zinc/38/91/60/1017389160.db2.gz REVRRQUBNKTLIY-SKDRFNHKSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001598694400 1017390452 /nfs/dbraw/zinc/39/04/52/1017390452.db2.gz MRLXLNNGSDJUMO-NXEZZACHSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)Cn1ccc(C(F)F)n1 ZINC001598694649 1017391217 /nfs/dbraw/zinc/39/12/17/1017391217.db2.gz UWUYPLQNANKGLK-SSDOTTSWSA-N -1 0 305.237 -0.047 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cccc(NC(N)=O)c1 ZINC001598693014 1017391444 /nfs/dbraw/zinc/39/14/44/1017391444.db2.gz PUGUKIWMJXTXMT-SECBINFHSA-N -1 0 309.278 -0.077 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CCn1c(C)csc1=O ZINC001598693336 1017391491 /nfs/dbraw/zinc/39/14/91/1017391491.db2.gz MIIFYAOMHIZFMZ-QMMMGPOBSA-N -1 0 316.335 -0.259 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc(F)cc2n[nH]nc21 ZINC001598694420 1017391561 /nfs/dbraw/zinc/39/15/61/1017391561.db2.gz YYCSJYOBSHIFTP-MRVPVSSYSA-N -1 0 310.241 -0.157 20 0 DBADRM COC(=O)[C@@H](CCF)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598699079 1017392076 /nfs/dbraw/zinc/39/20/76/1017392076.db2.gz OBLDNLBZHRUBTF-RKDXNWHRSA-N -1 0 318.301 -0.673 20 0 DBADRM COC(=O)[C@@H](CCF)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001598699052 1017392397 /nfs/dbraw/zinc/39/23/97/1017392397.db2.gz OARKBPNJBLQXPP-SSDOTTSWSA-N -1 0 308.287 -0.108 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)/C=C\c1cnc(OC)nc1 ZINC001598695820 1017392563 /nfs/dbraw/zinc/39/25/63/1017392563.db2.gz YONSGWJJPSKVLK-TYRPZCRBSA-N -1 0 309.278 -0.369 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001598694881 1017392661 /nfs/dbraw/zinc/39/26/61/1017392661.db2.gz PIMNPDHMXJRPDG-SCZZXKLOSA-N -1 0 309.322 -0.343 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001598694878 1017392981 /nfs/dbraw/zinc/39/29/81/1017392981.db2.gz PIMNPDHMXJRPDG-PSASIEDQSA-N -1 0 309.322 -0.343 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cccc(N)c1 ZINC001598695208 1017393215 /nfs/dbraw/zinc/39/32/15/1017393215.db2.gz QCZMKGUYSKSSOG-SECBINFHSA-N -1 0 302.308 -0.437 20 0 DBADRM COC(=O)[C@@H](CC(F)F)NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001598699540 1017393334 /nfs/dbraw/zinc/39/33/34/1017393334.db2.gz VQLIJIPZBDQFPF-RXMQYKEDSA-N -1 0 306.225 -0.711 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001598695879 1017394396 /nfs/dbraw/zinc/39/43/96/1017394396.db2.gz ZXBKEPFEYUOYOI-ISVAXAHUSA-N -1 0 300.311 -0.432 20 0 DBADRM COC(=O)[C@]1(C)C[C@H](OC)CN1CCC(=O)NCC(=O)[O-] ZINC001598717142 1017394964 /nfs/dbraw/zinc/39/49/64/1017394964.db2.gz CSDDSQFICVUQCM-ZANVPECISA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)[C@@H](Cn1ccnc1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001598703447 1017395366 /nfs/dbraw/zinc/39/53/66/1017395366.db2.gz VMGBSPYNVDVBAM-BBBLOLIVSA-N -1 0 311.294 -0.827 20 0 DBADRM COC(=O)[C@@H](Cn1cncn1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001598701771 1017395423 /nfs/dbraw/zinc/39/54/23/1017395423.db2.gz JPYHXHZZLVMIDI-LLVKDONJSA-N -1 0 318.289 -0.052 20 0 DBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001598701335 1017396134 /nfs/dbraw/zinc/39/61/34/1017396134.db2.gz FMKPYKVFDQIWKV-VWYCJHECSA-N -1 0 324.337 -0.173 20 0 DBADRM COC(=O)[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@H]1CCOC1 ZINC001598702101 1017396684 /nfs/dbraw/zinc/39/66/84/1017396684.db2.gz RGWPHQFKUCXEKC-ZDCRXTMVSA-N -1 0 315.322 -0.440 20 0 DBADRM COC(=O)C(F)(F)CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598703112 1017396810 /nfs/dbraw/zinc/39/68/10/1017396810.db2.gz TVECKVZTBMXSJY-UHFFFAOYSA-N -1 0 313.238 -0.806 20 0 DBADRM COC(=O)C1(NC(=O)CN[C@](C)(CO)C(=O)[O-])CCCCC1 ZINC001598722667 1017398157 /nfs/dbraw/zinc/39/81/57/1017398157.db2.gz SATKWMUEMMMWFF-CYBMUJFWSA-N -1 0 316.354 -0.596 20 0 DBADRM COC(=O)C1(O)CN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C1 ZINC001598724054 1017398738 /nfs/dbraw/zinc/39/87/38/1017398738.db2.gz HVIYYQXXJBNFOQ-DTWKUNHWSA-N -1 0 300.311 -0.441 20 0 DBADRM COC(=O)[C@]1(O)CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001598723694 1017398794 /nfs/dbraw/zinc/39/87/94/1017398794.db2.gz ASAZPGNABHRUMP-AWEZNQCLSA-N -1 0 323.305 -0.672 20 0 DBADRM COC(=O)[C@]1(CNC(=O)CCSCC(=O)[O-])CCOC1 ZINC001598720097 1017398934 /nfs/dbraw/zinc/39/89/34/1017398934.db2.gz IMKKFBMLOUFVOH-LBPRGKRZSA-N -1 0 305.352 -0.110 20 0 DBADRM COC(=O)[C@@]1(NC(=O)Cn2cc(C(=O)[O-])nn2)CCSC1 ZINC001598724946 1017399126 /nfs/dbraw/zinc/39/91/26/1017399126.db2.gz WWIZUATUIKRBSJ-LLVKDONJSA-N -1 0 314.323 -0.859 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1 ZINC001598719547 1017399622 /nfs/dbraw/zinc/39/96/22/1017399622.db2.gz GFVIPXXFKBWSFW-BRPSZJMVSA-N -1 0 303.336 -0.468 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])CCC1 ZINC001598726536 1017400926 /nfs/dbraw/zinc/40/09/26/1017400926.db2.gz XBDORGPRULGRMD-SECBINFHSA-N -1 0 321.351 -0.413 20 0 DBADRM COC(=O)[C@]1(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])CCOC1 ZINC001598727322 1017401865 /nfs/dbraw/zinc/40/18/65/1017401865.db2.gz QTODPQHKSRORDQ-KCJUWKMLSA-N -1 0 309.340 -0.794 20 0 DBADRM COC(=O)C1(O)CN(C(=O)NCc2ccc(C(=O)[O-])s2)C1 ZINC001598725481 1017402007 /nfs/dbraw/zinc/40/20/07/1017402007.db2.gz YKMSSVODJOYCLC-UHFFFAOYSA-N -1 0 314.319 -0.124 20 0 DBADRM COC(=O)C1(NS(=O)(=O)CC(C)(C)C(=O)[O-])CCOCC1 ZINC001598725913 1017402080 /nfs/dbraw/zinc/40/20/80/1017402080.db2.gz UKNCPVRGUDDVNP-UHFFFAOYSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)CCSCC(=O)[O-])C1 ZINC001598753149 1017407316 /nfs/dbraw/zinc/40/73/16/1017407316.db2.gz AJCMVSVWEBQVGX-IUCAKERBSA-N -1 0 305.352 -0.423 20 0 DBADRM COC(=O)[C@@H]1CC(=O)N(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001598743168 1017403214 /nfs/dbraw/zinc/40/32/14/1017403214.db2.gz LTJHKRGKSAKXLQ-BBBLOLIVSA-N -1 0 300.311 -0.861 20 0 DBADRM COC(=O)[C@@H]1CC(=O)N(CN2CCOC[C@H]2CC(=O)[O-])C1 ZINC001598745168 1017403417 /nfs/dbraw/zinc/40/34/17/1017403417.db2.gz RRPWJAWKFPMTDR-NXEZZACHSA-N -1 0 300.311 -0.859 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@@H](C)NC(C)=O ZINC001598741800 1017404079 /nfs/dbraw/zinc/40/40/79/1017404079.db2.gz IUFDRZUMLFFWKT-JEZHCXPESA-N -1 0 300.311 -0.624 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@H](O)CCSC ZINC001598749551 1017404940 /nfs/dbraw/zinc/40/49/40/1017404940.db2.gz LZWFHRHXOQBTFL-LPEHRKFASA-N -1 0 319.379 -0.035 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H](O)CCSC ZINC001598749552 1017405247 /nfs/dbraw/zinc/40/52/47/1017405247.db2.gz LZWFHRHXOQBTFL-UTLUCORTSA-N -1 0 319.379 -0.035 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cccn(C)c1=O ZINC001598750093 1017405293 /nfs/dbraw/zinc/40/52/93/1017405293.db2.gz IPJBUMURQHUSOU-GXSJLCMTSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1CN(C(C)=O)C1 ZINC001598749830 1017405328 /nfs/dbraw/zinc/40/53/28/1017405328.db2.gz NAEJLWYVFZCMQE-KOLCDFICSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H]1NC(=O)O[C@H]1C ZINC001598750191 1017405463 /nfs/dbraw/zinc/40/54/63/1017405463.db2.gz PUUICHKKQYUICT-KZVJFYERSA-N -1 0 314.294 -0.652 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001598749010 1017405524 /nfs/dbraw/zinc/40/55/24/1017405524.db2.gz CPHKLZABPKEFDU-JGVFFNPUSA-N -1 0 324.289 -0.143 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc[n+]([O-])c1 ZINC001598756068 1017407728 /nfs/dbraw/zinc/40/77/28/1017407728.db2.gz WRKHMIFVEZTVGQ-GXSJLCMTSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H](C)S(C)(=O)=O ZINC001598762056 1017407833 /nfs/dbraw/zinc/40/78/33/1017407833.db2.gz HCFAHPMWFARFBB-CIUDSAMLSA-N -1 0 321.351 -0.716 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc[n+]([O-])c1 ZINC001598756071 1017407843 /nfs/dbraw/zinc/40/78/43/1017407843.db2.gz WRKHMIFVEZTVGQ-KOLCDFICSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C[C@@H]1CN(C)C(=O)O1 ZINC001598754678 1017407923 /nfs/dbraw/zinc/40/79/23/1017407923.db2.gz YHYXXXKMLZYBNB-GUBZILKMSA-N -1 0 300.311 -0.225 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001598758257 1017407949 /nfs/dbraw/zinc/40/79/49/1017407949.db2.gz SDWFSBHDLOEMFH-IMSYWVGJSA-N -1 0 321.351 -0.965 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cnc(C)nc1N ZINC001598752534 1017408208 /nfs/dbraw/zinc/40/82/08/1017408208.db2.gz OEXFCOSLVHVRDM-WPRPVWTQSA-N -1 0 322.321 -0.154 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cnc(C)nc1N ZINC001598752527 1017408255 /nfs/dbraw/zinc/40/82/55/1017408255.db2.gz OEXFCOSLVHVRDM-PSASIEDQSA-N -1 0 322.321 -0.154 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2CC(=O)NCC(=O)[O-])O1 ZINC001598756928 1017408353 /nfs/dbraw/zinc/40/83/53/1017408353.db2.gz BDYFDSBNKXEEES-DBIOUOCHSA-N -1 0 314.338 -0.629 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001598754094 1017408420 /nfs/dbraw/zinc/40/84/20/1017408420.db2.gz CZDFAXKRSWPAMP-UWVGGRQHSA-N -1 0 308.290 -0.224 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)C[C@@H]1COC(=O)C1 ZINC001598763712 1017409004 /nfs/dbraw/zinc/40/90/04/1017409004.db2.gz VRCGWZBZPSMGMW-GUBZILKMSA-N -1 0 313.306 -0.196 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C[C@H](O)C1(O)CCC1 ZINC001598768220 1017409054 /nfs/dbraw/zinc/40/90/54/1017409054.db2.gz LFKTXFPBYBPAQU-DCAQKATOSA-N -1 0 301.339 -0.400 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C1CN(C(C)=O)C1 ZINC001598763904 1017409198 /nfs/dbraw/zinc/40/91/98/1017409198.db2.gz WMWSOGQGSNPWBA-MWLCHTKSSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1nonc1C ZINC001598764915 1017409889 /nfs/dbraw/zinc/40/98/89/1017409889.db2.gz FVKMIBYXIFEYIV-SCZZXKLOSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC)CCN1CCC(=O)N(C)CC(=O)[O-] ZINC001598767728 1017409898 /nfs/dbraw/zinc/40/98/98/1017409898.db2.gz YAKIXUAWVNYLSO-MNOVXSKESA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1cncn1C ZINC001598767521 1017410001 /nfs/dbraw/zinc/41/00/01/1017410001.db2.gz NIOIUMUEUGAAFB-MWLCHTKSSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1CCC(=O)NC1 ZINC001598763929 1017410101 /nfs/dbraw/zinc/41/01/01/1017410101.db2.gz WUPQLEHEOJIZAA-UTLUCORTSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CN1CCOC1=O ZINC001598769382 1017411236 /nfs/dbraw/zinc/41/12/36/1017411236.db2.gz UOUWAXWTSNAVOJ-DTWKUNHWSA-N -1 0 314.294 -0.697 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc[n+]1[O-] ZINC001598770540 1017411292 /nfs/dbraw/zinc/41/12/92/1017411292.db2.gz QPTZHLFEGZRLQU-KOLCDFICSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1coc(C(N)=O)c1 ZINC001598769583 1017411622 /nfs/dbraw/zinc/41/16/22/1017411622.db2.gz NEDAEGZEBIHZMN-IONNQARKSA-N -1 0 324.289 -0.143 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CSCC(N)=O ZINC001598771026 1017411673 /nfs/dbraw/zinc/41/16/73/1017411673.db2.gz XOLJWWJUJUMBIJ-JGVFFNPUSA-N -1 0 318.351 -0.930 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CN1CCOC1=O ZINC001598769383 1017412572 /nfs/dbraw/zinc/41/25/72/1017412572.db2.gz UOUWAXWTSNAVOJ-IUCAKERBSA-N -1 0 314.294 -0.697 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(=O)cc[nH]1 ZINC001598773153 1017412680 /nfs/dbraw/zinc/41/26/80/1017412680.db2.gz YUPVMFYPWSHIKE-KWQFWETISA-N -1 0 308.290 -0.147 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2cnnn2C)C1 ZINC001598776492 1017414660 /nfs/dbraw/zinc/41/46/60/1017414660.db2.gz ORTTVEZVHBPEEF-WPRPVWTQSA-N -1 0 310.310 -0.778 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CC2OCCO2)C1 ZINC001598776597 1017414735 /nfs/dbraw/zinc/41/47/35/1017414735.db2.gz PAHDLSNJJMJFKH-RKDXNWHRSA-N -1 0 301.295 -0.386 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(CC(=O)N=S(C)(C)=O)C1 ZINC001598774081 1017414893 /nfs/dbraw/zinc/41/48/93/1017414893.db2.gz CQHPEYFMCZKRRW-BDAKNGLRSA-N -1 0 320.367 -0.421 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(CC(=O)Nc2ccncc2)C1 ZINC001598775286 1017415291 /nfs/dbraw/zinc/41/52/91/1017415291.db2.gz HXWMVFPOZIGXCI-ZYHUDNBSSA-N -1 0 321.333 -0.220 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CCOC(=O)N2)C1 ZINC001598779917 1017416203 /nfs/dbraw/zinc/41/62/03/1017416203.db2.gz JALNQXRXVIJJQF-VGMNWLOBSA-N -1 0 314.294 -0.650 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C(=O)NCC(F)F)C1 ZINC001598783095 1017416373 /nfs/dbraw/zinc/41/63/73/1017416373.db2.gz WLEXCNVNMZLAPV-RNFRBKRXSA-N -1 0 322.264 -0.768 20 0 DBADRM COC(=O)C1CCC(NC(=O)CCC(N)=O)(C(=O)[O-])CC1 ZINC001598785127 1017416604 /nfs/dbraw/zinc/41/66/04/1017416604.db2.gz QZMPRNQCADIEFB-UHFFFAOYSA-N -1 0 300.311 -0.445 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2ccn(C)n2)C1 ZINC001598779987 1017416918 /nfs/dbraw/zinc/41/69/18/1017416918.db2.gz XWZXNWGRGHVXEU-MWLCHTKSSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)C(=O)NCC(F)F)C1 ZINC001598783094 1017417331 /nfs/dbraw/zinc/41/73/31/1017417331.db2.gz WLEXCNVNMZLAPV-NKWVEPMBSA-N -1 0 322.264 -0.768 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N2CC(C)(C(=O)[O-])C2)C1=O ZINC001598786810 1017417866 /nfs/dbraw/zinc/41/78/66/1017417866.db2.gz FPOLDBOBKKJIKP-SECBINFHSA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)OC)N(C(=O)COCC(=O)[O-])C1 ZINC001598785650 1017417963 /nfs/dbraw/zinc/41/79/63/1017417963.db2.gz QTGIDBSRZGKEHC-BDAKNGLRSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1=O ZINC001598789038 1017418517 /nfs/dbraw/zinc/41/85/17/1017418517.db2.gz TTXSGPOXVCKIIP-SVDPJWKOSA-N -1 0 324.333 -0.813 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCc2cn(C)nn2)[C@@H](C(=O)[O-])C1 ZINC001598789620 1017418721 /nfs/dbraw/zinc/41/87/21/1017418721.db2.gz AOQVNDLYTHVLTC-MWLCHTKSSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)C1 ZINC001598789661 1017418873 /nfs/dbraw/zinc/41/88/73/1017418873.db2.gz MRVOEZNXIURCHU-BBBLOLIVSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cncc(OC)n2)[C@H](C(=O)[O-])C1 ZINC001598792016 1017418965 /nfs/dbraw/zinc/41/89/65/1017418965.db2.gz CHAJXEIXCDVSHK-SCZZXKLOSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)O[C@H](C)CC(=O)[O-])C1=O ZINC001598790099 1017419697 /nfs/dbraw/zinc/41/96/97/1017419697.db2.gz NVAGAZLWSUZIRC-RKDXNWHRSA-N -1 0 301.295 -0.196 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H](C)NC(C)=O)[C@H](C(=O)[O-])C1 ZINC001598791539 1017419905 /nfs/dbraw/zinc/41/99/05/1017419905.db2.gz YLYBADAGXVCNEX-QNSHHTMESA-N -1 0 300.311 -0.624 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)O[C@H](C(=O)[O-])C2CC2)C1=O ZINC001598789301 1017420040 /nfs/dbraw/zinc/42/00/40/1017420040.db2.gz LFASATKPGKKWCI-ONGXEEELSA-N -1 0 313.306 -0.196 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cn(C)ccc2=O)[C@H](C(=O)[O-])C1 ZINC001598795673 1017421434 /nfs/dbraw/zinc/42/14/34/1017421434.db2.gz PATICGUGJTYJMC-KOLCDFICSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](C)/C=C/C(=O)[O-])CC1 ZINC001598801035 1017421508 /nfs/dbraw/zinc/42/15/08/1017421508.db2.gz XATUWRLRIWRJSR-CDAZIORVSA-N -1 0 320.367 -0.265 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cn(C)ccc2=O)[C@@H](C(=O)[O-])C1 ZINC001598795674 1017421632 /nfs/dbraw/zinc/42/16/32/1017421632.db2.gz PATICGUGJTYJMC-MWLCHTKSSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)[C@@H]1C ZINC001598794051 1017421909 /nfs/dbraw/zinc/42/19/09/1017421909.db2.gz OCVBKLVYXBIWSR-NXEZZACHSA-N -1 0 322.317 -0.044 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)[C@H](C(=O)[O-])C1 ZINC001598798918 1017422214 /nfs/dbraw/zinc/42/22/14/1017422214.db2.gz RTTIJCXRDCFAOF-BBBLOLIVSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)C[C@@H]1C(=O)[O-] ZINC001598802234 1017423609 /nfs/dbraw/zinc/42/36/09/1017423609.db2.gz BORUXXHQPCOILY-KXUCPTDWSA-N -1 0 312.322 -0.813 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)C[C@H]1C(=O)[O-] ZINC001598805311 1017423704 /nfs/dbraw/zinc/42/37/04/1017423704.db2.gz DAOUVKCVBADXRZ-IVZWLZJFSA-N -1 0 322.321 -0.827 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2CCC2(C)C)C[C@H]1C(=O)[O-] ZINC001598802536 1017424287 /nfs/dbraw/zinc/42/42/87/1017424287.db2.gz DGQGLUDLCGRNHZ-BDAKNGLRSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@H]1CCN1S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001598803595 1017424633 /nfs/dbraw/zinc/42/46/33/1017424633.db2.gz NREIUINSKFLFRN-ZCFIWIBFSA-N -1 0 303.296 -0.648 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@@H]1C(=O)[O-] ZINC001598808413 1017426184 /nfs/dbraw/zinc/42/61/84/1017426184.db2.gz DYWGIOQSPWEOEX-RYUDHWBXSA-N -1 0 323.349 -0.088 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](C)c2ccn(C)n2)C[C@@H]1C(=O)[O-] ZINC001598808234 1017426378 /nfs/dbraw/zinc/42/63/78/1017426378.db2.gz MPIOLQZULOYMPC-KXUCPTDWSA-N -1 0 324.337 -0.004 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCCO2)C[C@@H]1C(=O)[O-] ZINC001598807379 1017426484 /nfs/dbraw/zinc/42/64/84/1017426484.db2.gz IRGVWFQGBNBAHI-UTLUCORTSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCn3ncnc32)C[C@@H]1C(=O)[O-] ZINC001598807402 1017426644 /nfs/dbraw/zinc/42/66/44/1017426644.db2.gz MJFJWSOKZNDFMS-KXUCPTDWSA-N -1 0 322.321 -0.512 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cc2ncccc2OC)C[C@@H]1C(=O)[O-] ZINC001598807438 1017426714 /nfs/dbraw/zinc/42/67/14/1017426714.db2.gz JXMZESSEHLIQSM-UWVGGRQHSA-N -1 0 322.317 -0.035 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@@H]1C(=O)[O-] ZINC001598808412 1017426759 /nfs/dbraw/zinc/42/67/59/1017426759.db2.gz DYWGIOQSPWEOEX-NWDGAFQWSA-N -1 0 323.349 -0.088 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cc2nnc(C3CC3)[nH]2)C[C@@H]1C(=O)[O-] ZINC001598808852 1017427006 /nfs/dbraw/zinc/42/70/06/1017427006.db2.gz OUMLOZHWPFYLBC-DTWKUNHWSA-N -1 0 322.321 -0.443 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)/C=C/Cn2cncn2)C[C@@H]1C(=O)[O-] ZINC001598810168 1017427114 /nfs/dbraw/zinc/42/71/14/1017427114.db2.gz VHAGCGZZLJAYHB-MDCNRGEUSA-N -1 0 308.294 -0.834 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCOC2)C[C@H]1C(=O)[O-] ZINC001598813552 1017428466 /nfs/dbraw/zinc/42/84/66/1017428466.db2.gz GPCIMKRRERFOLM-IVZWLZJFSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCC2=CCCOC2)C[C@@H]1C(=O)[O-] ZINC001598810961 1017428530 /nfs/dbraw/zinc/42/85/30/1017428530.db2.gz VKHZIRAXDQNHIO-WDEREUQCSA-N -1 0 312.322 -0.152 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCOCC2CC2)C[C@@H]1C(=O)[O-] ZINC001598812516 1017429031 /nfs/dbraw/zinc/42/90/31/1017429031.db2.gz ZWRWSEMQIBDXAK-WDEREUQCSA-N -1 0 314.338 -0.072 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)COCC(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001598810817 1017429348 /nfs/dbraw/zinc/42/93/48/1017429348.db2.gz LTNJGGFWQNHBAO-BQBZGAKWSA-N -1 0 313.228 -0.103 20 0 DBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1Cc1cncc(C(=O)[O-])c1 ZINC001598817717 1017431122 /nfs/dbraw/zinc/43/11/22/1017431122.db2.gz HWIAXOQEDGYDRY-NSHDSACASA-N -1 0 307.306 -0.405 20 0 DBADRM COC(=O)[C@@H]1CN(C(=S)NC2CCOCC2)C[C@H]1C(=O)[O-] ZINC001598819791 1017431471 /nfs/dbraw/zinc/43/14/71/1017431471.db2.gz PZVANFGEATXVDW-NXEZZACHSA-N -1 0 316.379 -0.155 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@H]1C(=O)[O-] ZINC001598815310 1017431997 /nfs/dbraw/zinc/43/19/97/1017431997.db2.gz ORJGLFWRQNCDMA-VWYCJHECSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2ccncc2F)C[C@H]1C(=O)[O-] ZINC001598815856 1017432183 /nfs/dbraw/zinc/43/21/83/1017432183.db2.gz PRTUHAQRPAHFEU-SFYZADRCSA-N -1 0 311.269 -0.020 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2cncn2C)C[C@@H]1C(=O)[O-] ZINC001598815977 1017432340 /nfs/dbraw/zinc/43/23/40/1017432340.db2.gz PMSATGVHOSVCSR-VHSXEESVSA-N -1 0 310.310 -0.565 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)N2CCCC2)C[C@@H]1C(=O)[O-] ZINC001598823421 1017434020 /nfs/dbraw/zinc/43/40/20/1017434020.db2.gz COHSQPMLNVAIPA-DTWKUNHWSA-N -1 0 306.340 -0.867 20 0 DBADRM COC(=O)[C@@H]1CN(CN2CC(C)(C)OC2=O)C[C@@H]1C(=O)[O-] ZINC001598821919 1017435190 /nfs/dbraw/zinc/43/51/90/1017435190.db2.gz NLDOVMFETRWFGQ-DTWKUNHWSA-N -1 0 300.311 -0.020 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)C[C@@H]1C(=O)[O-] ZINC001598824365 1017436187 /nfs/dbraw/zinc/43/61/87/1017436187.db2.gz GTRUZESJSISDCG-LPEHRKFASA-N -1 0 321.351 -0.699 20 0 DBADRM COC(=O)[C@@H]1CN(c2nccn(C(F)F)c2=O)C[C@H]1C(=O)[O-] ZINC001598824843 1017436372 /nfs/dbraw/zinc/43/63/72/1017436372.db2.gz BDAPUYSRSNLORK-RNFRBKRXSA-N -1 0 317.248 -0.052 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)CC(C)(C)OC)C[C@H]1C(=O)[O-] ZINC001598824971 1017436643 /nfs/dbraw/zinc/43/66/43/1017436643.db2.gz JBXACWSAEGBEPJ-RKDXNWHRSA-N -1 0 323.367 -0.453 20 0 DBADRM COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CCCCC(=O)[O-] ZINC001598825632 1017437072 /nfs/dbraw/zinc/43/70/72/1017437072.db2.gz PBXPTAXHPKHICA-VIFPVBQESA-N -1 0 321.351 -0.570 20 0 DBADRM COC(=O)[C@@H]1CN(c2nnc(C3(OC)CC3)n2C)C[C@@H]1C(=O)[O-] ZINC001598826975 1017437160 /nfs/dbraw/zinc/43/71/60/1017437160.db2.gz LAHJNBPLEPLXNE-DTWKUNHWSA-N -1 0 324.337 -0.239 20 0 DBADRM CCc1c[nH]c(CC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)n1 ZINC001497601301 1017437937 /nfs/dbraw/zinc/43/79/37/1017437937.db2.gz QHGDHHXIMBDSOT-ARJAWSKDSA-N -1 0 319.369 -0.200 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)N(C)CC(C)C)C[C@@H]1C(=O)[O-] ZINC001598825416 1017438040 /nfs/dbraw/zinc/43/80/40/1017438040.db2.gz KKJVNACBDJMZJD-VHSXEESVSA-N -1 0 322.383 -0.375 20 0 DBADRM COC(=O)CC(=O)NC1(C(=O)[O-])CCC(C(=O)OC)CC1 ZINC001598832191 1017439838 /nfs/dbraw/zinc/43/98/38/1017439838.db2.gz SBTLMPBTAWSQPA-UHFFFAOYSA-N -1 0 301.295 -0.148 20 0 DBADRM COC(=O)C[C@@H](C)CC(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001598835982 1017440041 /nfs/dbraw/zinc/44/00/41/1017440041.db2.gz QYBOFXXWXYYCCS-DTWKUNHWSA-N -1 0 303.311 -0.092 20 0 DBADRM COC(=O)C[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001598835598 1017440395 /nfs/dbraw/zinc/44/03/95/1017440395.db2.gz IDMUCFODKHIYTA-DJLDLDEBSA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)C=C[C@@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001598830561 1017440447 /nfs/dbraw/zinc/44/04/47/1017440447.db2.gz JAIGVFCGPNEWLD-FCJGRKLLSA-N -1 0 303.296 -0.496 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)N2CC[C@H](C)C2)C[C@@H]1C(=O)[O-] ZINC001598828896 1017440500 /nfs/dbraw/zinc/44/05/00/1017440500.db2.gz YWPWCFWPWCYTEF-LPEHRKFASA-N -1 0 320.367 -0.621 20 0 DBADRM COC(=O)CC(=O)NC1(C(=O)OC)CCC(C(=O)[O-])CC1 ZINC001598831845 1017440661 /nfs/dbraw/zinc/44/06/61/1017440661.db2.gz NERKXBKFZCNQCE-UHFFFAOYSA-N -1 0 301.295 -0.148 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)N2CC[C@@H](C)C2)C[C@@H]1C(=O)[O-] ZINC001598828895 1017440976 /nfs/dbraw/zinc/44/09/76/1017440976.db2.gz YWPWCFWPWCYTEF-KXUCPTDWSA-N -1 0 320.367 -0.621 20 0 DBADRM COC(=O)C[C@@H](NC(=O)Cc1[nH]nc2c1CCCC2)C(=O)[O-] ZINC001598837085 1017441591 /nfs/dbraw/zinc/44/15/91/1017441591.db2.gz LMOSKVHVIWFEGP-LLVKDONJSA-N -1 0 309.322 -0.037 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cc(C(N)=O)cs1)C(=O)[O-] ZINC001598840191 1017442034 /nfs/dbraw/zinc/44/20/34/1017442034.db2.gz HTSAGJDFPISWBI-ZCFIWIBFSA-N -1 0 300.292 -0.407 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cnc(C(=O)OC)cn1)C(=O)[O-] ZINC001598841812 1017442140 /nfs/dbraw/zinc/44/21/40/1017442140.db2.gz WLGDRDINLRCCRY-LURJTMIESA-N -1 0 311.250 -0.991 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)Nc1cc(C(=O)[O-])nn1C ZINC001598839255 1017442163 /nfs/dbraw/zinc/44/21/63/1017442163.db2.gz JQBKPYUIOJLRJA-ZCFIWIBFSA-N -1 0 300.271 -0.836 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001598841561 1017442491 /nfs/dbraw/zinc/44/24/91/1017442491.db2.gz QIUGONZKBIJINZ-SSDOTTSWSA-N -1 0 300.271 -0.987 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)CCC[C@@H]1CCOC1)C(=O)[O-] ZINC001598841199 1017442611 /nfs/dbraw/zinc/44/26/11/1017442611.db2.gz QHCLMNDIHKEVKI-NXEZZACHSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)C[C@H](NC(=O)Cn1c(C)c(C)sc1=O)C(=O)[O-] ZINC001598838655 1017442664 /nfs/dbraw/zinc/44/26/64/1017442664.db2.gz ZASZIOSPZFEAJY-QMMMGPOBSA-N -1 0 316.335 -0.341 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cc2c(cn1)OCCO2)C(=O)[O-] ZINC001598837236 1017442815 /nfs/dbraw/zinc/44/28/15/1017442815.db2.gz AKPHQGLIBLJEBX-MRVPVSSYSA-N -1 0 310.262 -0.401 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc2nnn(C)c2c1)C(=O)[O-] ZINC001598837246 1017442881 /nfs/dbraw/zinc/44/28/81/1017442881.db2.gz AUIFUGHTQZVRSX-SECBINFHSA-N -1 0 306.278 -0.286 20 0 DBADRM COC(=O)C[C@@H]1COCCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001598844379 1017444305 /nfs/dbraw/zinc/44/43/05/1017444305.db2.gz JXFWEKVEXOANPX-SECBINFHSA-N -1 0 323.367 -0.309 20 0 DBADRM COC(=O)CC[C@H](C(=O)[O-])[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC001598845335 1017444742 /nfs/dbraw/zinc/44/47/42/1017444742.db2.gz AQANIHDPNFRJQF-SNVBAGLBSA-N -1 0 315.370 -0.726 20 0 DBADRM COC(=O)CC[C@@H](C(=O)[O-])[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC001598845334 1017445434 /nfs/dbraw/zinc/44/54/34/1017445434.db2.gz AQANIHDPNFRJQF-JTQLQIEISA-N -1 0 315.370 -0.726 20 0 DBADRM COC(=O)CCNC(=O)Cn1nc(C(=O)[O-])cc1C(=O)OC ZINC001598853259 1017446604 /nfs/dbraw/zinc/44/66/04/1017446604.db2.gz AIRGAVZGWMPPPB-UHFFFAOYSA-N -1 0 313.266 -0.953 20 0 DBADRM COC(=O)CC[C@]1(C)NC(=O)N(CC(=O)CCC(=O)[O-])C1=O ZINC001598849522 1017448241 /nfs/dbraw/zinc/44/82/41/1017448241.db2.gz PJRJPFBEYOGLRP-ZDUSSCGKSA-N -1 0 314.294 -0.316 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CS(=O)(=O)C(C)C)C(=O)[O-] ZINC001598855824 1017450062 /nfs/dbraw/zinc/45/00/62/1017450062.db2.gz BCWHVQGVMXZBQW-MRVPVSSYSA-N -1 0 309.340 -0.668 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)C(=O)Nc1cc(C)on1)C(=O)[O-] ZINC001598854745 1017450187 /nfs/dbraw/zinc/45/01/87/1017450187.db2.gz BGBUMPOWHZDRJL-SSDOTTSWSA-N -1 0 313.266 -0.556 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H](OC)[C@H]1CCOC1)C(=O)[O-] ZINC001598855813 1017450814 /nfs/dbraw/zinc/45/08/14/1017450814.db2.gz OBGZXGLSWXTMNQ-IQJOONFLSA-N -1 0 303.311 -0.440 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CCCC(=O)N1C)C(=O)[O-] ZINC001598856284 1017451421 /nfs/dbraw/zinc/45/14/21/1017451421.db2.gz UCGZDHKOPVIPFR-BDAKNGLRSA-N -1 0 300.311 -0.480 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1ccnc2c1CC(=O)N2)C(=O)[O-] ZINC001598857793 1017452378 /nfs/dbraw/zinc/45/23/78/1017452378.db2.gz OQGVSBCWOAACOY-SECBINFHSA-N -1 0 321.289 -0.288 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)/C=C1/SCC(=O)N1C ZINC001598860883 1017452461 /nfs/dbraw/zinc/45/24/61/1017452461.db2.gz SVRLDRRTJKUXQI-YCRREMRBSA-N -1 0 302.308 -0.881 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](O)c1ccccc1OC ZINC001598861255 1017452470 /nfs/dbraw/zinc/45/24/70/1017452470.db2.gz QSHINDHKEPJYMY-CYBMUJFWSA-N -1 0 311.290 -0.185 20 0 DBADRM COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CC[C@@](O)(C(=O)[O-])C2)O1 ZINC001598857905 1017452658 /nfs/dbraw/zinc/45/26/58/1017452658.db2.gz CSYHZGMZQJZIGX-RBZYPMLTSA-N -1 0 315.322 -0.465 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC001598861089 1017452860 /nfs/dbraw/zinc/45/28/60/1017452860.db2.gz VTBDBZVENTXKDL-DTWKUNHWSA-N -1 0 300.311 -0.636 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCNC(=O)CC(C)C ZINC001598860176 1017453371 /nfs/dbraw/zinc/45/33/71/1017453371.db2.gz CNANGTHZHCIGMY-UHFFFAOYSA-N -1 0 302.327 -0.375 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001598860881 1017453835 /nfs/dbraw/zinc/45/38/35/1017453835.db2.gz STJJYAASRFGOAV-VIFPVBQESA-N -1 0 310.310 -0.765 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)CC1(OC)CCCC1 ZINC001598862665 1017455638 /nfs/dbraw/zinc/45/56/38/1017455638.db2.gz MJXUPIYKRCNDBT-UHFFFAOYSA-N -1 0 323.367 -0.165 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cnc2nccnc2c1 ZINC001598862035 1017455735 /nfs/dbraw/zinc/45/57/35/1017455735.db2.gz VSCNWRYDLWCNOF-UHFFFAOYSA-N -1 0 304.262 -0.275 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C[C@H]1CN=C(c2cnn(C)c2)O1 ZINC001598863164 1017455775 /nfs/dbraw/zinc/45/57/75/1017455775.db2.gz GCYSLHONZDGPCZ-SNVBAGLBSA-N -1 0 310.310 -0.875 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C[C@@H]1CN=C(c2cnn(C)c2)O1 ZINC001598863163 1017455842 /nfs/dbraw/zinc/45/58/42/1017455842.db2.gz GCYSLHONZDGPCZ-JTQLQIEISA-N -1 0 310.310 -0.875 20 0 DBADRM COC(=O)COCC(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@H](OC)C1 ZINC001598864403 1017456153 /nfs/dbraw/zinc/45/61/53/1017456153.db2.gz IABJIZTXTPFWCN-NRUUGDAUSA-N -1 0 317.338 -0.049 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1nc2ncc(C)cn2n1 ZINC001598863327 1017456207 /nfs/dbraw/zinc/45/62/07/1017456207.db2.gz IEFBVFWUTWWAPT-UHFFFAOYSA-N -1 0 307.266 -0.867 20 0 DBADRM COC(=O)COc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC001598865310 1017458039 /nfs/dbraw/zinc/45/80/39/1017458039.db2.gz LDBOFOLLZZAVFI-PELKAZGASA-N -1 0 311.290 -0.198 20 0 DBADRM COC(=O)COCCNC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001598866569 1017458684 /nfs/dbraw/zinc/45/86/84/1017458684.db2.gz XVGLKGGZIYJMAM-YTWAJWBKSA-N -1 0 314.338 -0.026 20 0 DBADRM COC(=O)COC(=O)[C@@H]1C[C@H](C)C[C@@H]1C(=O)OCC(=O)[O-] ZINC001598865548 1017458808 /nfs/dbraw/zinc/45/88/08/1017458808.db2.gz YUPDWAYCKQBNHH-HRDYMLBCSA-N -1 0 302.279 -0.007 20 0 DBADRM COC(=O)CSCCC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001598867725 1017458862 /nfs/dbraw/zinc/45/88/62/1017458862.db2.gz DWUMTIVGTJOCRH-DTWKUNHWSA-N -1 0 305.352 -0.423 20 0 DBADRM COC(=O)COC(=O)[C@@H]1C[C@H](C)C[C@H]1C(=O)OCC(=O)[O-] ZINC001598865552 1017459221 /nfs/dbraw/zinc/45/92/21/1017459221.db2.gz YUPDWAYCKQBNHH-IWSPIJDZSA-N -1 0 302.279 -0.007 20 0 DBADRM COC(=O)C[C@@H]1CCC[C@H]1NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001598870556 1017460152 /nfs/dbraw/zinc/46/01/52/1017460152.db2.gz CVYWXSCLIHVDRZ-DTWKUNHWSA-N -1 0 300.311 -0.441 20 0 DBADRM COC(=O)N(C)CCNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001598877875 1017460251 /nfs/dbraw/zinc/46/02/51/1017460251.db2.gz YTFYUMNQPWDCLI-DTWKUNHWSA-N -1 0 303.315 -0.838 20 0 DBADRM COC(=O)N1CC(N2C(=O)[C@@H]3C[C@H](C(=O)[O-])CCN3C2=O)C1 ZINC001598875721 1017460285 /nfs/dbraw/zinc/46/02/85/1017460285.db2.gz KEROZRVBDLNABA-APPZFPTMSA-N -1 0 311.294 -0.436 20 0 DBADRM COC(=O)N(C)CCN(C)CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001598877096 1017460727 /nfs/dbraw/zinc/46/07/27/1017460727.db2.gz POSSBNIBJAAWSW-NSHDSACASA-N -1 0 303.359 -0.158 20 0 DBADRM COC(=O)Cc1occc1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001598873993 1017461364 /nfs/dbraw/zinc/46/13/64/1017461364.db2.gz LANSGESPGNMVJQ-SECBINFHSA-N -1 0 324.289 -0.590 20 0 DBADRM COC(=O)CSCCNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001598868906 1017461615 /nfs/dbraw/zinc/46/16/15/1017461615.db2.gz YIQYKRGUWVVFNM-NQMVMOMDSA-N -1 0 305.352 -0.113 20 0 DBADRM COC(=O)N1CC(NS(=O)(=O)c2cc(C(=O)[O-])cn2C)C1 ZINC001598879206 1017462696 /nfs/dbraw/zinc/46/26/96/1017462696.db2.gz KYRFZJAHKAGFAO-UHFFFAOYSA-N -1 0 317.323 -0.548 20 0 DBADRM COC(=O)NCC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598882842 1017463081 /nfs/dbraw/zinc/46/30/81/1017463081.db2.gz IDGYCMDPNSRPOE-QMMMGPOBSA-N -1 0 311.298 -0.504 20 0 DBADRM COC(=O)NCC(=O)O[C@@H]1C[C@H](C(=O)[O-])C[C@H](C(=O)OC)C1 ZINC001598883104 1017463094 /nfs/dbraw/zinc/46/30/94/1017463094.db2.gz KMSSQJPCVRMTMX-HRDYMLBCSA-N -1 0 317.294 -0.072 20 0 DBADRM COC(=O)N1CC(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001598880783 1017463780 /nfs/dbraw/zinc/46/37/80/1017463780.db2.gz YWOGORXHEDFHKT-WCBMZHEXSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)N1CC(NS(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC001598879246 1017463923 /nfs/dbraw/zinc/46/39/23/1017463923.db2.gz LZNWATBUBAHBMZ-UHFFFAOYSA-N -1 0 315.307 -0.491 20 0 DBADRM COC(=O)N1CCCN([C@@H]2CCN(CCC(=O)[O-])C2=O)CC1 ZINC001598881428 1017464019 /nfs/dbraw/zinc/46/40/19/1017464019.db2.gz BZHGMUKATOXUHC-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM COC(=O)N1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001598882006 1017464100 /nfs/dbraw/zinc/46/41/00/1017464100.db2.gz NQNVRSAZXILDMC-ZJUUUORDSA-N -1 0 320.367 -0.047 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CCCN(C)C(=O)OC ZINC001598890401 1017465203 /nfs/dbraw/zinc/46/52/03/1017465203.db2.gz NRTUKSFMAGHDPO-SECBINFHSA-N -1 0 318.326 -0.013 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)COCc1ccnn1C ZINC001598889751 1017465649 /nfs/dbraw/zinc/46/56/49/1017465649.db2.gz BYSRBPKEDLYTAN-SNVBAGLBSA-N -1 0 313.310 -0.541 20 0 DBADRM COC(=O)[C@@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001598889173 1017466269 /nfs/dbraw/zinc/46/62/69/1017466269.db2.gz SYNOIUFQGDXMHI-SSDOTTSWSA-N -1 0 302.308 -0.038 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)c1c[nH]nc1-c1cnn(C)c1 ZINC001598891116 1017466369 /nfs/dbraw/zinc/46/63/69/1017466369.db2.gz UMAQOWZJIBYENM-SECBINFHSA-N -1 0 322.277 -0.017 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C[C@H]1C ZINC001598896725 1017468854 /nfs/dbraw/zinc/46/88/54/1017468854.db2.gz FKACRRNZIDJFDK-GWOFURMSSA-N -1 0 314.338 -0.073 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCSCC(=O)[O-])C[C@@H](C)O1 ZINC001598896722 1017469149 /nfs/dbraw/zinc/46/91/49/1017469149.db2.gz FEFDMORJDVTERJ-BDAKNGLRSA-N -1 0 305.352 -0.017 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001598891949 1017469369 /nfs/dbraw/zinc/46/93/69/1017469369.db2.gz XOVAVKLXALMOID-WCBMZHEXSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001598894489 1017469443 /nfs/dbraw/zinc/46/94/43/1017469443.db2.gz VRIOLGFUWCZBSZ-QMMMGPOBSA-N -1 0 317.319 -0.495 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)[C@@H]1CCO[C@H]1C ZINC001598893257 1017469527 /nfs/dbraw/zinc/46/95/27/1017469527.db2.gz LLGBWEVKAJOJQE-DJLDLDEBSA-N -1 0 309.340 -0.510 20 0 DBADRM Cc1ccnn1CC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497694197 1017469888 /nfs/dbraw/zinc/46/98/88/1017469888.db2.gz RWHGAZCDAJHAJS-IHWYPQMZSA-N -1 0 305.342 -0.523 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CC[C@@](O)(C(=O)[O-])C2)C[C@H]1C ZINC001598901397 1017470462 /nfs/dbraw/zinc/47/04/62/1017470462.db2.gz HLMBQCUFZIWNIV-LHGDZMGGSA-N -1 0 301.295 -0.999 20 0 DBADRM COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001598900658 1017472078 /nfs/dbraw/zinc/47/20/78/1017472078.db2.gz WEEBSNYJMPMGIY-DTWKUNHWSA-N -1 0 301.295 -0.997 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001598902417 1017473396 /nfs/dbraw/zinc/47/33/96/1017473396.db2.gz JZHQZDOUCGTHBQ-ISUQUUIWSA-N -1 0 315.322 -0.441 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])O1 ZINC001598905218 1017473451 /nfs/dbraw/zinc/47/34/51/1017473451.db2.gz HXTKGZODIHVLCI-KXUCPTDWSA-N -1 0 311.294 -0.827 20 0 DBADRM COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001598903714 1017473510 /nfs/dbraw/zinc/47/35/10/1017473510.db2.gz OGZIQCSTXLXQDM-JTQLQIEISA-N -1 0 306.278 -0.050 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001598905699 1017474152 /nfs/dbraw/zinc/47/41/52/1017474152.db2.gz GELMLPWZZIXUGJ-AATLWQCWSA-N -1 0 321.351 -0.965 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H]1[C@H](C(=O)N[C@@H](C)C(=O)[O-])[C@@H]1C ZINC001598902881 1017474236 /nfs/dbraw/zinc/47/42/36/1017474236.db2.gz HSBFUMOFTJQRPJ-OAHBRNHXSA-N -1 0 300.311 -0.865 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)CCSCC(=O)[O-] ZINC001598902834 1017474442 /nfs/dbraw/zinc/47/44/42/1017474442.db2.gz OOXGVQPQADVNPA-LDYMZIIASA-N -1 0 305.352 -0.111 20 0 DBADRM COC(=O)[C@@]1(CNC(=O)CCCC(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001598903174 1017475405 /nfs/dbraw/zinc/47/54/05/1017475405.db2.gz BYLZQMKNFMNAOH-QPUJVOFHSA-N -1 0 321.351 -0.666 20 0 DBADRM COC(=O)c1[nH]cc(C(=O)[O-])c1NC(=O)c1ccc(=O)n(C)n1 ZINC001598910651 1017476713 /nfs/dbraw/zinc/47/67/13/1017476713.db2.gz WGCVVQUWFLGUBW-UHFFFAOYSA-N -1 0 320.261 -0.155 20 0 DBADRM COC(=O)c1c[nH]c(C(=O)[O-])c1NC(=O)CCS(C)(=O)=O ZINC001598916006 1017476983 /nfs/dbraw/zinc/47/69/83/1017476983.db2.gz GSGDJWQYCQDIEG-UHFFFAOYSA-N -1 0 318.307 -0.127 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])ccn1 ZINC001598917436 1017477092 /nfs/dbraw/zinc/47/70/92/1017477092.db2.gz JLRKBNGIZDMDTM-MNOVXSKESA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])ccn1 ZINC001598917439 1017477653 /nfs/dbraw/zinc/47/76/53/1017477653.db2.gz JLRKBNGIZDMDTM-WDEREUQCSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)c1[nH]cc(C(=O)[O-])c1NC(=O)CCS(C)(=O)=O ZINC001598912045 1017477932 /nfs/dbraw/zinc/47/79/32/1017477932.db2.gz GRWHJLFUXLJLMM-UHFFFAOYSA-N -1 0 318.307 -0.127 20 0 DBADRM COC(=O)c1cc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)ccn1 ZINC001598917225 1017478000 /nfs/dbraw/zinc/47/80/00/1017478000.db2.gz FTWZXNYUUWKNFP-UWVGGRQHSA-N -1 0 308.290 -0.224 20 0 DBADRM COC(=O)c1c[nH]c(C(=O)[O-])c1NC(=O)C1CN(C(C)=O)C1 ZINC001598916241 1017478008 /nfs/dbraw/zinc/47/80/08/1017478008.db2.gz HQCMURWXTFQPOZ-UHFFFAOYSA-N -1 0 309.278 -0.084 20 0 DBADRM COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001598909494 1017478198 /nfs/dbraw/zinc/47/81/98/1017478198.db2.gz FYWBUFXYZZZHDT-QMMMGPOBSA-N -1 0 323.305 -0.019 20 0 DBADRM COC(=O)c1cc(C(=O)NCCC(=O)NCCC(=O)[O-])c[nH]1 ZINC001598919460 1017478228 /nfs/dbraw/zinc/47/82/28/1017478228.db2.gz BYLJYGGOJHYPRX-UHFFFAOYSA-N -1 0 311.294 -0.488 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CC(=O)C1(C(=O)OC)CC1 ZINC001598923033 1017478248 /nfs/dbraw/zinc/47/82/48/1017478248.db2.gz JNMKBSKAZZUJKR-UHFFFAOYSA-N -1 0 310.262 -0.110 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)NCCCO)ccc1C(=O)[O-] ZINC001598936895 1017479998 /nfs/dbraw/zinc/47/99/98/1017479998.db2.gz AEWJZACIJXHVKC-UHFFFAOYSA-N -1 0 324.289 -0.392 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)n(C)c1 ZINC001598955349 1017481005 /nfs/dbraw/zinc/48/10/05/1017481005.db2.gz ACJAZUBXAUFYNX-OTSSQURYSA-N -1 0 316.335 -0.047 20 0 DBADRM COC(=O)c1cc(CN2CCNC(=O)[C@H]2CC(=O)[O-])[nH]c1C ZINC001598933453 1017481045 /nfs/dbraw/zinc/48/10/45/1017481045.db2.gz WJCUOTVOLKCILB-LLVKDONJSA-N -1 0 309.322 -0.115 20 0 DBADRM COC(=O)c1cccn(CC(=O)N[C@@H](C)/C=C\C(=O)[O-])c1=O ZINC001599002588 1017482942 /nfs/dbraw/zinc/48/29/42/1017482942.db2.gz RGVWWDVMWYFZHK-UDIARPCQSA-N -1 0 308.290 -0.220 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN2C[C@H](O)C[C@@H]2C(=O)[O-])n1 ZINC001598999799 1017483223 /nfs/dbraw/zinc/48/32/23/1017483223.db2.gz NKCPULHAGYNADC-PSASIEDQSA-N -1 0 323.305 -0.674 20 0 DBADRM COC(=O)c1ccc(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC001598975084 1017484008 /nfs/dbraw/zinc/48/40/08/1017484008.db2.gz YBOKTDYHUPJRRA-LLVKDONJSA-N -1 0 308.290 -0.277 20 0 DBADRM COC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC001598998990 1017484345 /nfs/dbraw/zinc/48/43/45/1017484345.db2.gz GMVQRSODAOGOIH-QMMMGPOBSA-N -1 0 321.289 -0.260 20 0 DBADRM COC(=O)c1ccc(CC(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cn1 ZINC001598972531 1017484580 /nfs/dbraw/zinc/48/45/80/1017484580.db2.gz CYIIQSFAUZQYDV-AAEUAGOBSA-N -1 0 322.317 -0.153 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](C)C=CC(=O)[O-] ZINC001599007167 1017486621 /nfs/dbraw/zinc/48/66/21/1017486621.db2.gz DITKVWXQLRZOGH-YUDCMIJISA-N -1 0 303.296 -0.496 20 0 DBADRM COC(=O)c1cn(CC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)nn1 ZINC001599008570 1017486869 /nfs/dbraw/zinc/48/68/69/1017486869.db2.gz OXQFEXKDQOAVHI-XNCJUZBTSA-N -1 0 318.236 -0.853 20 0 DBADRM COC(=O)c1ccn(CC(=O)N[C@H](CC(F)F)C(=O)[O-])n1 ZINC001599004555 1017486901 /nfs/dbraw/zinc/48/69/01/1017486901.db2.gz MSPDJAXIGYNKQX-SSDOTTSWSA-N -1 0 305.237 -0.106 20 0 DBADRM COC(=O)c1cn(C2CN(c3ncncc3C(=O)[O-])C2)nn1 ZINC001599006192 1017487269 /nfs/dbraw/zinc/48/72/69/1017487269.db2.gz MVJSONZKBOAYBT-UHFFFAOYSA-N -1 0 304.266 -0.386 20 0 DBADRM COC(=O)c1cnc(C(=O)N(CC(=O)[O-])C2CCOCC2)cn1 ZINC001599007710 1017487595 /nfs/dbraw/zinc/48/75/95/1017487595.db2.gz MXYFEKLMVKVKGS-UHFFFAOYSA-N -1 0 323.305 -0.031 20 0 DBADRM COC(=O)c1ccnc(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)c1 ZINC001599005920 1017487825 /nfs/dbraw/zinc/48/78/25/1017487825.db2.gz JPNRTJPKHYINBV-SECBINFHSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)c1cnn(CC(=O)N2CC[C@@](OC)(C(=O)[O-])C2)c1 ZINC001599011117 1017489419 /nfs/dbraw/zinc/48/94/19/1017489419.db2.gz IKORVWOKCIUKEK-ZDUSSCGKSA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)c1coc(CNS(=O)(=O)CCCC(=O)[O-])n1 ZINC001599012006 1017490582 /nfs/dbraw/zinc/49/05/82/1017490582.db2.gz OMZFOMUMLHMSFS-UHFFFAOYSA-N -1 0 306.296 -0.255 20 0 DBADRM COC(C)(C)C[C@H](C)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001599033363 1017491952 /nfs/dbraw/zinc/49/19/52/1017491952.db2.gz SJWISZNVVBLDEL-UWVGGRQHSA-N -1 0 316.354 -0.382 20 0 DBADRM CO[C@@H](C(=O)NCCC(=O)NCCC(=O)[O-])[C@H]1CCOC1 ZINC001599028741 1017492076 /nfs/dbraw/zinc/49/20/76/1017492076.db2.gz ROCSLRVKAMDNHC-JOYOIKCWSA-N -1 0 302.327 -0.865 20 0 DBADRM CO[C@@H](C(=O)OCCc1cn(CC(=O)[O-])nn1)[C@@H]1CCOC1 ZINC001599028458 1017492727 /nfs/dbraw/zinc/49/27/27/1017492727.db2.gz BQCUERKXZBFSOE-BXKDBHETSA-N -1 0 313.310 -0.500 20 0 DBADRM COC(C)(C)[C@H](C)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001599030773 1017492846 /nfs/dbraw/zinc/49/28/46/1017492846.db2.gz BIKPLXCNBODDCW-DTWKUNHWSA-N -1 0 302.327 -0.772 20 0 DBADRM COC(C)(C)CN(C)C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599032247 1017493422 /nfs/dbraw/zinc/49/34/22/1017493422.db2.gz CMZPSHMZSAFAMU-SNVBAGLBSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)CN(C)C(=O)C1CC1)OC ZINC001599045456 1017494266 /nfs/dbraw/zinc/49/42/66/1017494266.db2.gz LSSCUGBMYKNDPU-UHFFFAOYSA-N -1 0 316.354 -0.223 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)Cc1nnc(C)o1)OC ZINC001599045709 1017494476 /nfs/dbraw/zinc/49/44/76/1017494476.db2.gz ROTVODZGEXREBD-UHFFFAOYSA-N -1 0 301.299 -0.157 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@@H](NC(N)=O)C(C)C)OC ZINC001599045735 1017495333 /nfs/dbraw/zinc/49/53/33/1017495333.db2.gz SBQUSFLNGJLYJH-NSHDSACASA-N -1 0 319.358 -0.399 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@H](C)S(C)(=O)=O)OC ZINC001599046659 1017495829 /nfs/dbraw/zinc/49/58/29/1017495829.db2.gz KLKMERDCJYWHCI-QMMMGPOBSA-N -1 0 311.356 -0.658 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)C(=O)c1cnn(C)c1)OC ZINC001599046077 1017496119 /nfs/dbraw/zinc/49/61/19/1017496119.db2.gz ACSWOVXQFJNGMP-UHFFFAOYSA-N -1 0 313.310 -0.475 20 0 DBADRM CO[C@@H](C)CN(C)C(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001599040036 1017496284 /nfs/dbraw/zinc/49/62/84/1017496284.db2.gz KSDPKUZLNATWNP-IVZWLZJFSA-N -1 0 302.327 -0.820 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)CC1(O)CCOCC1)OC ZINC001599048117 1017496928 /nfs/dbraw/zinc/49/69/28/1017496928.db2.gz ZYTLKRKUOLTFNA-UHFFFAOYSA-N -1 0 319.354 -0.160 20 0 DBADRM CO[C@H](CNC(=O)C(=O)NCCCC(=O)[O-])C(F)(F)F ZINC001599048739 1017497706 /nfs/dbraw/zinc/49/77/06/1017497706.db2.gz APIKGFQUPDOBJH-ZCFIWIBFSA-N -1 0 300.233 -0.339 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C(C)C ZINC001599049499 1017498494 /nfs/dbraw/zinc/49/84/94/1017498494.db2.gz NSCYBRODKLTUCD-VIFPVBQESA-N -1 0 312.326 -0.156 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC001599055110 1017498963 /nfs/dbraw/zinc/49/89/63/1017498963.db2.gz BZDQYOKGXWQIBJ-RCWTZXSCSA-N -1 0 307.368 -0.322 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CC2CC1(C(=O)[O-])C2)[C@H]1CCOC1 ZINC001599057067 1017499687 /nfs/dbraw/zinc/49/96/87/1017499687.db2.gz FQGJFWDZVAGMRK-PCQVFGIUSA-N -1 0 319.379 -0.083 20 0 DBADRM COC1(C(=O)N2CCCCC[C@@H]2C(=O)[O-])CS(=O)(=O)C1 ZINC001599061843 1017499893 /nfs/dbraw/zinc/49/98/93/1017499893.db2.gz FVZUCNZROKKBQE-SECBINFHSA-N -1 0 305.352 -0.344 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)[C@@H]1CCOC1 ZINC001599056993 1017500050 /nfs/dbraw/zinc/50/00/50/1017500050.db2.gz DZQWKBURVLRAIE-GCHJQGSQSA-N -1 0 319.379 -0.370 20 0 DBADRM CO[C@@H](Cn1cnc2c(cnn2CC(=O)[O-])c1=O)[C@@H]1CCOC1 ZINC001599059956 1017501174 /nfs/dbraw/zinc/50/11/74/1017501174.db2.gz OOIXUGHFNHGXHA-KOLCDFICSA-N -1 0 322.321 -0.271 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@H](CF)C(=O)[O-])C1CCOCC1 ZINC001599057830 1017501327 /nfs/dbraw/zinc/50/13/27/1017501327.db2.gz VMFMNJBEQFRVAI-ZJUUUORDSA-N -1 0 313.347 -0.230 20 0 DBADRM COC(OC)[C@H](C)NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599062941 1017501736 /nfs/dbraw/zinc/50/17/36/1017501736.db2.gz ZRGAMNMEGSHAEY-WCBMZHEXSA-N -1 0 304.343 -0.139 20 0 DBADRM CO[C@]1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)CCS(=O)(=O)C1 ZINC001599063343 1017502257 /nfs/dbraw/zinc/50/22/57/1017502257.db2.gz JDTFSSYULATGRY-WPYQSKQHSA-N -1 0 317.363 -0.585 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCC(F)(F)F)C1 ZINC001599066081 1017502283 /nfs/dbraw/zinc/50/22/83/1017502283.db2.gz ANCXCFQGTQTWTR-JTQLQIEISA-N -1 0 312.244 -0.243 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccc(F)n2)C1 ZINC001599066436 1017502494 /nfs/dbraw/zinc/50/24/94/1017502494.db2.gz DTXHHNMLONPQLH-ZDUSSCGKSA-N -1 0 311.269 -0.139 20 0 DBADRM COC1(C(=O)NCc2ccnc(C(=O)[O-])c2)CS(=O)(=O)C1 ZINC001599063636 1017502634 /nfs/dbraw/zinc/50/26/34/1017502634.db2.gz SJGFPICRAFJQON-UHFFFAOYSA-N -1 0 314.319 -0.790 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCOC2)C1 ZINC001599064934 1017502752 /nfs/dbraw/zinc/50/27/52/1017502752.db2.gz DFAHZJJNQKKBOS-ISTVAULSSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@]1(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001599064556 1017502803 /nfs/dbraw/zinc/50/28/03/1017502803.db2.gz CZTRZPJGLGZMCB-TVYUQYBPSA-N -1 0 319.379 -0.241 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCOC[C@@H]2C)C1 ZINC001599066276 1017503006 /nfs/dbraw/zinc/50/30/06/1017503006.db2.gz MFVIGMVWVQIJSZ-IMSIIYSGSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCOC2)C1 ZINC001599064932 1017503489 /nfs/dbraw/zinc/50/34/89/1017503489.db2.gz DFAHZJJNQKKBOS-GPCCPHFNSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CC(C)(C)CO)C1 ZINC001599069251 1017504872 /nfs/dbraw/zinc/50/48/72/1017504872.db2.gz SIIUWJRDHMONOI-AWEZNQCLSA-N -1 0 316.354 -0.835 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CCSc2nnnn2C)C1 ZINC001599069052 1017505070 /nfs/dbraw/zinc/50/50/70/1017505070.db2.gz VYSRJFUKCCGFSA-NSHDSACASA-N -1 0 315.355 -0.606 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C2CCS(=O)(=O)CC2)C1 ZINC001599068497 1017505382 /nfs/dbraw/zinc/50/53/82/1017505382.db2.gz OQSQCHWLUCLLAQ-GFCCVEGCSA-N -1 0 305.352 -0.487 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(CCO)C2CCC2)C1 ZINC001599067495 1017505837 /nfs/dbraw/zinc/50/58/37/1017505837.db2.gz DUVRJSBWELGZOV-AWEZNQCLSA-N -1 0 314.338 -0.938 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC[C@@H]2CC2(F)F)C1 ZINC001599066970 1017505861 /nfs/dbraw/zinc/50/58/61/1017505861.db2.gz IEAXMUCNBYGNDN-PELKAZGASA-N -1 0 320.292 -0.150 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)/C=C2/SCC(=O)N2C)C1 ZINC001599067782 1017505989 /nfs/dbraw/zinc/50/59/89/1017505989.db2.gz GKFIJYGTIUFHMH-DJTWPOEFSA-N -1 0 300.336 -0.265 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2nn(C)cc2C)C1 ZINC001599069075 1017506124 /nfs/dbraw/zinc/50/61/24/1017506124.db2.gz MUJAYYZSVCCGCI-CYBMUJFWSA-N -1 0 310.310 -0.631 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001599073874 1017507413 /nfs/dbraw/zinc/50/74/13/1017507413.db2.gz UPKJNUSEXINMCZ-ZDUSSCGKSA-N -1 0 318.293 -0.627 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCc2nnc3n2CCCC3)C1 ZINC001599071402 1017507585 /nfs/dbraw/zinc/50/75/85/1017507585.db2.gz TWNYYFZOIQDRKN-CQSZACIVSA-N -1 0 323.353 -0.001 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)C1 ZINC001599071174 1017507695 /nfs/dbraw/zinc/50/76/95/1017507695.db2.gz RNPPTSKMKCOLIM-JTNHKYCSSA-N -1 0 315.370 -0.409 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnnn2C[C@@H]2CCCOC2)C1 ZINC001599081663 1017509211 /nfs/dbraw/zinc/50/92/11/1017509211.db2.gz SRXDUGQGYIEIAF-GWCFXTLKSA-N -1 0 311.342 -0.220 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(CN2C[C@H](c3cncn3C)CC2=O)C1 ZINC001599076947 1017509224 /nfs/dbraw/zinc/50/92/24/1017509224.db2.gz BQTHMWUKUVWXBQ-ABAIWWIYSA-N -1 0 322.365 -0.131 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnnn2CCCOC(F)F)C1 ZINC001599081692 1017510611 /nfs/dbraw/zinc/51/06/11/1017510611.db2.gz UGYIQGBZLXREKE-NSHDSACASA-N -1 0 321.284 -0.018 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2nocc2C)C1 ZINC001599078604 1017511024 /nfs/dbraw/zinc/51/10/24/1017511024.db2.gz ICYQSXWJCDRUNQ-NSHDSACASA-N -1 0 304.324 -0.012 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2C[C@@]2(C)CCCO2)C1 ZINC001599082423 1017513569 /nfs/dbraw/zinc/51/35/69/1017513569.db2.gz YQJWDCXFBIWGOL-CHWSQXEVSA-N -1 0 311.342 -0.078 20 0 DBADRM CO[C@]1(CNS(=O)(=O)c2cc(C(=O)[O-])cn2C)CCOC1 ZINC001599090863 1017514031 /nfs/dbraw/zinc/51/40/31/1017514031.db2.gz RXOITGFGUZIYCR-LBPRGKRZSA-N -1 0 318.351 -0.193 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnnn2C[C@@]2(C)CCCO2)C1 ZINC001599082424 1017514113 /nfs/dbraw/zinc/51/41/13/1017514113.db2.gz YQJWDCXFBIWGOL-OLZOCXBDSA-N -1 0 311.342 -0.078 20 0 DBADRM COC1(OC)CC(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001599094371 1017515110 /nfs/dbraw/zinc/51/51/10/1017515110.db2.gz GTFOJGJMHIFOLX-PSASIEDQSA-N -1 0 302.327 -0.073 20 0 DBADRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)CSCC(N)=O)C(=O)[O-])C1 ZINC001599105764 1017515188 /nfs/dbraw/zinc/51/51/88/1017515188.db2.gz HBGJGJCNAHFLDU-KBVBSXBZSA-N -1 0 318.395 -0.021 20 0 DBADRM COC1CCN(C(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)CC1 ZINC001599115716 1017516242 /nfs/dbraw/zinc/51/62/42/1017516242.db2.gz AKJUXHNDPYJKKR-CQSZACIVSA-N -1 0 314.338 -0.674 20 0 DBADRM COC1(OC)CC(CNS(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC001599094397 1017516543 /nfs/dbraw/zinc/51/65/43/1017516543.db2.gz GXNBQRYFSQAKCW-UHFFFAOYSA-N -1 0 310.372 -0.374 20 0 DBADRM COC1(OC)CCOC[C@H]1NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001599096374 1017516571 /nfs/dbraw/zinc/51/65/71/1017516571.db2.gz YJSDSTOSFMMEJO-SNVBAGLBSA-N -1 0 313.310 -0.525 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)[C@H]2COC(=O)N2)C(=O)[O-])C1 ZINC001599106052 1017516599 /nfs/dbraw/zinc/51/65/99/1017516599.db2.gz DQTIFLGLPBNQEE-SGIHWFKDSA-N -1 0 300.311 -0.131 20 0 DBADRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)CS(C)(=O)=O)C(=O)[O-])C1 ZINC001599106141 1017516768 /nfs/dbraw/zinc/51/67/68/1017516768.db2.gz KMASLYPXCQNIQG-KKZNHRDASA-N -1 0 307.368 -0.194 20 0 DBADRM COC1CC(C(=O)N[C@@H](C)CNc2ccnc(C(=O)[O-])n2)C1 ZINC001599094225 1017516808 /nfs/dbraw/zinc/51/68/08/1017516808.db2.gz NKMFISVQBIZCKR-IDKOKCKLSA-N -1 0 308.338 -0.062 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)Cn2cnc(N)n2)C(=O)[O-])C1 ZINC001599106549 1017516852 /nfs/dbraw/zinc/51/68/52/1017516852.db2.gz HUGDTOJCTNASEJ-IQJOONFLSA-N -1 0 311.342 -0.365 20 0 DBADRM CO[C@@H]1CCN(C(=O)c2nc3ncccn3n2)[C@H](C(=O)[O-])C1 ZINC001599120512 1017517672 /nfs/dbraw/zinc/51/76/72/1017517672.db2.gz BBQJRVAVZDIWIM-BDAKNGLRSA-N -1 0 305.294 -0.172 20 0 DBADRM CO[C@H]1CCN(C(=O)CCN2CCOCC2)[C@H](C(=O)[O-])C1 ZINC001599120711 1017517737 /nfs/dbraw/zinc/51/77/37/1017517737.db2.gz XCFWAKMTIHNITC-RYUDHWBXSA-N -1 0 300.355 -0.201 20 0 DBADRM CO[C@H]1CCN(C(=O)CCCS(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC001599120696 1017517816 /nfs/dbraw/zinc/51/78/16/1017517816.db2.gz WXLZCIHMEVKIPM-UWVGGRQHSA-N -1 0 307.368 -0.098 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)[C@H](C(=O)[O-])C1 ZINC001599118722 1017518476 /nfs/dbraw/zinc/51/84/76/1017518476.db2.gz DPIOHAJBKFHQPF-AEJSXWLSSA-N -1 0 324.337 -0.363 20 0 DBADRM CO[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC001599120536 1017518825 /nfs/dbraw/zinc/51/88/25/1017518825.db2.gz WNJQHPFYEWOGGU-BDAKNGLRSA-N -1 0 308.356 -0.984 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC001599120198 1017519221 /nfs/dbraw/zinc/51/92/21/1017519221.db2.gz QCWJYMMRRAYCQB-YIZRAAEISA-N -1 0 308.356 -0.985 20 0 DBADRM CO[C@H]1CN(C(=O)Cn2nnnc2C(C)C)[C@@](C)(C(=O)[O-])C1 ZINC001599128769 1017520484 /nfs/dbraw/zinc/52/04/84/1017520484.db2.gz AUCLGLFBHOSAIQ-NOZJJQNGSA-N -1 0 311.342 -0.113 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)nc2C1 ZINC001599128112 1017520715 /nfs/dbraw/zinc/52/07/15/1017520715.db2.gz QZNOYMGWRKQBQJ-MWLCHTKSSA-N -1 0 309.322 -0.230 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H](O)Cc2cnn(C)c2)[C@@](C)(C(=O)[O-])C1 ZINC001599131781 1017520894 /nfs/dbraw/zinc/52/08/94/1017520894.db2.gz UWUORGLFOXPAAD-COPLHBTASA-N -1 0 311.338 -0.586 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)c2cn(C)c(C)n2)[C@H](C(=O)[O-])C1 ZINC001599126561 1017521040 /nfs/dbraw/zinc/52/10/40/1017521040.db2.gz JPWXOYKBLPITKU-ZJUUUORDSA-N -1 0 317.367 -0.019 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)nc2C1 ZINC001599128110 1017521365 /nfs/dbraw/zinc/52/13/65/1017521365.db2.gz QZNOYMGWRKQBQJ-GXSJLCMTSA-N -1 0 309.322 -0.230 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)[C@@](C)(C(=O)[O-])C1 ZINC001599129798 1017521787 /nfs/dbraw/zinc/52/17/87/1017521787.db2.gz GSWLRMHGJCVISO-TVLCNXBWSA-N -1 0 324.337 -0.363 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)CCCOC(C)=O)[C@@H](C(=O)[O-])C1 ZINC001599123783 1017521829 /nfs/dbraw/zinc/52/18/29/1017521829.db2.gz MRKRHUQVIHVFMZ-GHMZBOCLSA-N -1 0 323.367 -0.167 20 0 DBADRM CO[C@H]1CN(C(=O)CCN2CCOCC2)[C@](C)(C(=O)[O-])C1 ZINC001599135861 1017522767 /nfs/dbraw/zinc/52/27/67/1017522767.db2.gz XOIHFWYOYHDOBX-RISCZKNCSA-N -1 0 300.355 -0.201 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001599137247 1017522875 /nfs/dbraw/zinc/52/28/75/1017522875.db2.gz DCUGKRYUFCCEMF-GMTAPVOTSA-N -1 0 317.338 -0.240 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)CCn2cccn2)[C@@](C)(C(=O)[O-])C1 ZINC001599136421 1017523106 /nfs/dbraw/zinc/52/31/06/1017523106.db2.gz HLORYPAMSQQKGG-ZYHUDNBSSA-N -1 0 317.367 -0.223 20 0 DBADRM CO[C@@H]1CN(C(=O)CCN2CCOCC2)[C@@](C)(C(=O)[O-])C1 ZINC001599135862 1017523368 /nfs/dbraw/zinc/52/33/68/1017523368.db2.gz XOIHFWYOYHDOBX-SMDDNHRTSA-N -1 0 300.355 -0.201 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599137130 1017523494 /nfs/dbraw/zinc/52/34/94/1017523494.db2.gz CCLHDLPUPKEYLV-WHOHXGKFSA-N -1 0 316.354 -0.079 20 0 DBADRM CO[C@@H]1COCC[C@H]1CNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599137123 1017523586 /nfs/dbraw/zinc/52/35/86/1017523586.db2.gz CCLHDLPUPKEYLV-FIQHERPVSA-N -1 0 316.354 -0.079 20 0 DBADRM CO[C@@H]1CN(CC2(O)CCS(=O)(=O)CC2)[C@](C)(C(=O)[O-])C1 ZINC001599134427 1017524452 /nfs/dbraw/zinc/52/44/52/1017524452.db2.gz YRJULVLJDRBCIO-JQWIXIFHSA-N -1 0 321.395 -0.510 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cncc(C(=O)[O-])c1 ZINC001599137646 1017525078 /nfs/dbraw/zinc/52/50/78/1017525078.db2.gz DDRICJQLQQAVDJ-ZJUUUORDSA-N -1 0 314.319 -0.678 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1cc(C)c(C(=O)[O-])[nH]1 ZINC001599140385 1017525126 /nfs/dbraw/zinc/52/51/26/1017525126.db2.gz OXMFRUHVVXPQFT-UWVGGRQHSA-N -1 0 302.352 -0.077 20 0 DBADRM COCC(=O)N1CCN([C@@H](CCC(=O)OC)C(=O)[O-])CC1 ZINC001599139549 1017525507 /nfs/dbraw/zinc/52/55/07/1017525507.db2.gz MGBLLXKIGVBPMA-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM COCC(=O)N1CCN([C@H](CCC(=O)OC)C(=O)[O-])CC1 ZINC001599139550 1017525709 /nfs/dbraw/zinc/52/57/09/1017525709.db2.gz MGBLLXKIGVBPMA-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(C(=O)[O-])n1C ZINC001599140012 1017525738 /nfs/dbraw/zinc/52/57/38/1017525738.db2.gz NAWZIPUBYCLTJE-GMSGAONNSA-N -1 0 316.335 -0.735 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccoc1CC(=O)[O-] ZINC001599140382 1017525828 /nfs/dbraw/zinc/52/58/28/1017525828.db2.gz OWHIHKPWLISINS-WCBMZHEXSA-N -1 0 317.319 -0.552 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cc(C)c(C(=O)[O-])[nH]1 ZINC001599140386 1017525867 /nfs/dbraw/zinc/52/58/67/1017525867.db2.gz OXMFRUHVVXPQFT-VHSXEESVSA-N -1 0 302.352 -0.077 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001599139246 1017526003 /nfs/dbraw/zinc/52/60/03/1017526003.db2.gz KZYGGWMWFPBXKB-VHSXEESVSA-N -1 0 310.372 -0.627 20 0 DBADRM COCC(=O)N1CCCO[C@@H](CNc2ncc(C(=O)[O-])cn2)C1 ZINC001599138860 1017526121 /nfs/dbraw/zinc/52/61/21/1017526121.db2.gz CVQYNTORCLTODC-NSHDSACASA-N -1 0 324.337 -0.149 20 0 DBADRM COCC(=O)N1CCN(C(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC001599139249 1017526312 /nfs/dbraw/zinc/52/63/12/1017526312.db2.gz INYKQLUIXKBEDC-UHFFFAOYSA-N -1 0 307.306 -0.289 20 0 DBADRM COCC(=O)N[C@H](C(=O)Nc1cc(C(=O)[O-])nn1C)C(C)C ZINC001599142508 1017528383 /nfs/dbraw/zinc/52/83/83/1017528383.db2.gz GLKUSSWBTFBZRP-NSHDSACASA-N -1 0 312.326 -0.156 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001599142109 1017528979 /nfs/dbraw/zinc/52/89/79/1017528979.db2.gz ZDLJOVUAMRKJSB-HNNXBMFYSA-N -1 0 323.349 -0.008 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC001599141450 1017529261 /nfs/dbraw/zinc/52/92/61/1017529261.db2.gz OCSNVWNNCJFXKK-LBPRGKRZSA-N -1 0 302.327 -0.913 20 0 DBADRM COCC(C)(C)C(=O)NCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001599143954 1017529916 /nfs/dbraw/zinc/52/99/16/1017529916.db2.gz MWFQACCLULNWLI-ZJUUUORDSA-N -1 0 300.355 -0.046 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NCC(=O)N=[S@](C)(=O)N(C)C ZINC001599149416 1017530373 /nfs/dbraw/zinc/53/03/73/1017530373.db2.gz XSEWIJOLVIGWOD-GIPWTMENSA-N -1 0 309.388 -0.443 20 0 DBADRM COCC(C)(C)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599145208 1017530585 /nfs/dbraw/zinc/53/05/85/1017530585.db2.gz JLNMFTZUQNQUPC-UHFFFAOYSA-N -1 0 303.359 -0.061 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001599147835 1017530792 /nfs/dbraw/zinc/53/07/92/1017530792.db2.gz UKQMNFRXYMGKMH-JOYOIKCWSA-N -1 0 322.383 -0.305 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CCN=C2C1=NNN2C ZINC001599146852 1017531085 /nfs/dbraw/zinc/53/10/85/1017531085.db2.gz YOQJXGOWYBIEIB-SDBXPKJASA-N -1 0 311.342 -0.793 20 0 DBADRM COC[C@](C)(NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C(=O)[O-] ZINC001599152424 1017531713 /nfs/dbraw/zinc/53/17/13/1017531713.db2.gz PRYIRNWYZVVUIF-ZALRCZSOSA-N -1 0 313.306 -0.687 20 0 DBADRM COC/C(C)=C\C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001599155767 1017532779 /nfs/dbraw/zinc/53/27/79/1017532779.db2.gz MYHCCJHKZAUOBG-KWEVQHHHSA-N -1 0 305.352 -0.417 20 0 DBADRM COC[C@](C)(NC(=O)c1cn(CC2(C)COC2)nn1)C(=O)[O-] ZINC001599152978 1017532935 /nfs/dbraw/zinc/53/29/35/1017532935.db2.gz NEORFOXRJSXHHM-ZDUSSCGKSA-N -1 0 312.326 -0.466 20 0 DBADRM COC[C@@](C)(NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)C(=O)[O-] ZINC001599152243 1017533119 /nfs/dbraw/zinc/53/31/19/1017533119.db2.gz MRXYMZIQINFUEC-WBPNIITGSA-N -1 0 303.311 -0.441 20 0 DBADRM COC[C@](C)(CC(=O)OC)NC(=O)c1cc(C(=O)[O-])nn1C ZINC001599151514 1017533245 /nfs/dbraw/zinc/53/32/45/1017533245.db2.gz VZLJIWKXNRZJCK-ZDUSSCGKSA-N -1 0 313.310 -0.184 20 0 DBADRM COC[C@H](C)[C@H](C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001599157233 1017534004 /nfs/dbraw/zinc/53/40/04/1017534004.db2.gz BYOIEJKTHVAICQ-AVWBDOJWSA-N -1 0 321.395 -0.091 20 0 DBADRM COC[C@@H](C)CNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599156818 1017534208 /nfs/dbraw/zinc/53/42/08/1017534208.db2.gz KSRRKQIDVXVXGQ-VHSXEESVSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599156816 1017534848 /nfs/dbraw/zinc/53/48/48/1017534848.db2.gz KSRRKQIDVXVXGQ-NXEZZACHSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001599157719 1017534858 /nfs/dbraw/zinc/53/48/58/1017534858.db2.gz JBZNNYQALKSERJ-BBBLOLIVSA-N -1 0 324.337 -0.877 20 0 DBADRM COC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001599164817 1017536545 /nfs/dbraw/zinc/53/65/45/1017536545.db2.gz COAOAVMXRRJFHW-SNVBAGLBSA-N -1 0 310.306 -0.245 20 0 DBADRM COC[C@@H](CCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)OC ZINC001599162838 1017536961 /nfs/dbraw/zinc/53/69/61/1017536961.db2.gz LUMIOFFHSREGCM-QMTHXVAHSA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001599164506 1017537338 /nfs/dbraw/zinc/53/73/38/1017537338.db2.gz LSLIYWUACBSNDQ-QMMMGPOBSA-N -1 0 319.335 -0.321 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001599164387 1017537513 /nfs/dbraw/zinc/53/75/13/1017537513.db2.gz JHVVBNDEUYGZMF-JTQLQIEISA-N -1 0 303.336 -0.189 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001599164961 1017537685 /nfs/dbraw/zinc/53/76/85/1017537685.db2.gz RPPQGMIMXIXNKY-VIFPVBQESA-N -1 0 303.336 -0.021 20 0 DBADRM COCC(COC)S(=O)(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001599164861 1017537695 /nfs/dbraw/zinc/53/76/95/1017537695.db2.gz ATYXLLVRRFMYCQ-SKDRFNHKSA-N -1 0 307.368 -0.083 20 0 DBADRM COC[C@H](CS(=O)(=O)NCc1ccc(C(=O)[O-])nc1)OC ZINC001599164432 1017538252 /nfs/dbraw/zinc/53/82/52/1017538252.db2.gz IPKIXVIMBMYGIV-SNVBAGLBSA-N -1 0 318.351 -0.139 20 0 DBADRM COC[C@H](CS(=O)(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)OC ZINC001599165641 1017538523 /nfs/dbraw/zinc/53/85/23/1017538523.db2.gz IIQAAYIZBOVRKT-AEJSXWLSSA-N -1 0 311.356 -0.849 20 0 DBADRM COC[C@@H](CS(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])OC ZINC001599166084 1017539455 /nfs/dbraw/zinc/53/94/55/1017539455.db2.gz KVNIOGCGKOHPSE-JGVFFNPUSA-N -1 0 317.310 -0.228 20 0 DBADRM COC[C@@H](NC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)[O-] ZINC001599167146 1017539485 /nfs/dbraw/zinc/53/94/85/1017539485.db2.gz IEZQLUDUNKPRDS-MWLCHTKSSA-N -1 0 308.290 -0.008 20 0 DBADRM COC[C@H](NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)[O-] ZINC001599168461 1017540010 /nfs/dbraw/zinc/54/00/10/1017540010.db2.gz CCBXLKRFKAFRFB-AEJSXWLSSA-N -1 0 312.322 -0.623 20 0 DBADRM COC[C@@H](CS(=O)(=O)N1CCOC[C@H]1CC(=O)[O-])OC ZINC001599166871 1017540207 /nfs/dbraw/zinc/54/02/07/1017540207.db2.gz QCTLBRCLEIRZDU-ZJUUUORDSA-N -1 0 311.356 -0.847 20 0 DBADRM COC[C@H](NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)[O-] ZINC001599168462 1017540380 /nfs/dbraw/zinc/54/03/80/1017540380.db2.gz CCBXLKRFKAFRFB-BBBLOLIVSA-N -1 0 312.322 -0.623 20 0 DBADRM COC[C@@H](NC(=O)CCn1c2ccccc2n(C)c1=O)C(=O)[O-] ZINC001599168891 1017541097 /nfs/dbraw/zinc/54/10/97/1017541097.db2.gz KNQHKCJYZZVMSY-SNVBAGLBSA-N -1 0 321.333 -0.054 20 0 DBADRM COC[C@@H](Cn1nnnc1N1CC[C@H](C(=O)[O-])[C@H](C)C1)OC ZINC001599170051 1017541132 /nfs/dbraw/zinc/54/11/32/1017541132.db2.gz QXKHOPMJIAUALR-MXWKQRLJSA-N -1 0 313.358 -0.119 20 0 DBADRM COC[C@@H](NC(=O)c1ncccc1S(C)(=O)=O)C(=O)[O-] ZINC001599175274 1017541824 /nfs/dbraw/zinc/54/18/24/1017541824.db2.gz FSQZGZWQFNHMBK-SSDOTTSWSA-N -1 0 302.308 -0.686 20 0 DBADRM COC[C@@H](NC(=O)CSCC(=O)N1CCCCC1)C(=O)[O-] ZINC001599168658 1017541835 /nfs/dbraw/zinc/54/18/35/1017541835.db2.gz HAFYBZDPCQIOEK-SNVBAGLBSA-N -1 0 318.395 -0.052 20 0 DBADRM COC[C@@H](NC(=O)c1cccnc1N1CCOCC1)C(=O)[O-] ZINC001599175002 1017542140 /nfs/dbraw/zinc/54/21/40/1017542140.db2.gz NWEXEKQCGVOYAN-LLVKDONJSA-N -1 0 309.322 -0.252 20 0 DBADRM COC[C@H](NC(=O)c1ccc2c(c1)N(C)C(=O)CO2)C(=O)[O-] ZINC001599173988 1017542222 /nfs/dbraw/zinc/54/22/22/1017542222.db2.gz HGFMCFBCSHRQPR-VIFPVBQESA-N -1 0 308.290 -0.129 20 0 DBADRM COC[C@@H](NC(=O)c1cc(S(N)(=O)=O)c(C)o1)C(=O)[O-] ZINC001599171850 1017542521 /nfs/dbraw/zinc/54/25/21/1017542521.db2.gz NNAVXTMIXANGEF-ZCFIWIBFSA-N -1 0 306.296 -0.935 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)C(N)=O ZINC001599178054 1017543171 /nfs/dbraw/zinc/54/31/71/1017543171.db2.gz WHVHIWZDYYNBOI-SNVBAGLBSA-N -1 0 316.335 -0.528 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(N)=O ZINC001599177661 1017543284 /nfs/dbraw/zinc/54/32/84/1017543284.db2.gz MZFKJHDKZGDVSR-QMMMGPOBSA-N -1 0 320.298 -0.698 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)OC ZINC001599177869 1017543350 /nfs/dbraw/zinc/54/33/50/1017543350.db2.gz HMPFKXDANURHHY-JTQLQIEISA-N -1 0 317.319 -0.149 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(=O)OC ZINC001599176969 1017543515 /nfs/dbraw/zinc/54/35/15/1017543515.db2.gz FVUQSCBREWWYSW-SSDOTTSWSA-N -1 0 321.307 -0.247 20 0 DBADRM COC[C@H](NS(=O)(=O)C[C@@H](OC)[C@H]1CCOC1)C(=O)[O-] ZINC001599177084 1017543616 /nfs/dbraw/zinc/54/36/16/1017543616.db2.gz VKJINHBQTLMAGM-LPEHRKFASA-N -1 0 311.356 -0.943 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1C)C(N)=O ZINC001599177694 1017545054 /nfs/dbraw/zinc/54/50/54/1017545054.db2.gz PAJWRKKTCGPHBS-SECBINFHSA-N -1 0 316.335 -0.528 20 0 DBADRM COC[C@H](OC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC001599181139 1017545980 /nfs/dbraw/zinc/54/59/80/1017545980.db2.gz GVOMTPGRLSUZLU-QMMMGPOBSA-N -1 0 321.307 -0.214 20 0 DBADRM COC[C@@H](OC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC001599181118 1017546154 /nfs/dbraw/zinc/54/61/54/1017546154.db2.gz GLWWSOJWOYQDSW-MRVPVSSYSA-N -1 0 323.261 -0.710 20 0 DBADRM COC[C@]1(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CCOC1 ZINC001599183037 1017546455 /nfs/dbraw/zinc/54/64/55/1017546455.db2.gz AWDUTYRWKUKKIG-ZIAGYGMSSA-N -1 0 312.322 -0.129 20 0 DBADRM COC[C@H](OC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)C(=O)[O-] ZINC001599182701 1017546856 /nfs/dbraw/zinc/54/68/56/1017546856.db2.gz HTEICYBRBQNDCM-NSHDSACASA-N -1 0 321.289 -0.173 20 0 DBADRM COC[C@H](OC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C(=O)[O-] ZINC001599180883 1017546973 /nfs/dbraw/zinc/54/69/73/1017546973.db2.gz RXWLIWISIOGWQB-QMDNGSOZSA-N -1 0 300.263 -0.650 20 0 DBADRM COC[C@H](OC)C(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001599186310 1017547670 /nfs/dbraw/zinc/54/76/70/1017547670.db2.gz IADKWVPRIMWNNP-AXFHLTTASA-N -1 0 324.337 -0.105 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)Cc1nnc(N)s1 ZINC001599189954 1017548771 /nfs/dbraw/zinc/54/87/71/1017548771.db2.gz DULMEOUQJAZWNH-NSHDSACASA-N -1 0 300.340 -0.245 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CC1SC(=N)NC1=O ZINC001599190862 1017548911 /nfs/dbraw/zinc/54/89/11/1017548911.db2.gz LRSIYRQMCFACIM-JVXZTZIISA-N -1 0 315.351 -0.365 20 0 DBADRM COC[C@@H]1CCCN1C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599203536 1017550123 /nfs/dbraw/zinc/55/01/23/1017550123.db2.gz ICTLBEODOLQCMP-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM COC[C@@H]1CC[C@@H]([C@H]2COCCN2CC(=O)NCC(=O)[O-])O1 ZINC001599202275 1017550297 /nfs/dbraw/zinc/55/02/97/1017550297.db2.gz AGPQPSIGJCBODQ-TUAOUCFPSA-N -1 0 316.354 -0.918 20 0 DBADRM COCC1(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)CCC1 ZINC001599202105 1017550553 /nfs/dbraw/zinc/55/05/53/1017550553.db2.gz REJFHYWVMYHYJB-UHFFFAOYSA-N -1 0 320.411 -0.022 20 0 DBADRM COCC1(CS(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])CCC1 ZINC001599200833 1017550583 /nfs/dbraw/zinc/55/05/83/1017550583.db2.gz JOWSKFRXXISBLQ-VIFPVBQESA-N -1 0 323.367 -0.261 20 0 DBADRM COC[C@@]1(C(=O)OC)CCCCN1C(=O)COCC(=O)[O-] ZINC001599195841 1017550593 /nfs/dbraw/zinc/55/05/93/1017550593.db2.gz UIGSMIVTZYLCLP-CYBMUJFWSA-N -1 0 303.311 -0.342 20 0 DBADRM COC[C@@]1(CO)CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001599200922 1017550940 /nfs/dbraw/zinc/55/09/40/1017550940.db2.gz KWBKYONFSQGSFG-LBPRGKRZSA-N -1 0 319.335 -0.003 20 0 DBADRM COCC1(CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])CCCC1 ZINC001599198576 1017551374 /nfs/dbraw/zinc/55/13/74/1017551374.db2.gz UWQDYVZOBZSBRG-VIFPVBQESA-N -1 0 304.318 -0.152 20 0 DBADRM COC[C@@]1(CO)CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001599200314 1017551676 /nfs/dbraw/zinc/55/16/76/1017551676.db2.gz DGYGBPIQYBOXOS-ZDUSSCGKSA-N -1 0 312.326 -0.170 20 0 DBADRM COC[C@@H]1CNCCN1S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001599206560 1017552410 /nfs/dbraw/zinc/55/24/10/1017552410.db2.gz BSNDVLJBEBHZOH-SRVKXCTJSA-N -1 0 320.411 -0.120 20 0 DBADRM COC[C@@H]1CN([C@@H]2CCN(CCC(=O)[O-])C2=O)C[C@@H](C)O1 ZINC001599206076 1017552737 /nfs/dbraw/zinc/55/27/37/1017552737.db2.gz ZCWOZTNYTHBXRA-GRYCIOLGSA-N -1 0 300.355 -0.202 20 0 DBADRM COC[C@H]1CN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C[C@@H](C)O1 ZINC001599205950 1017552978 /nfs/dbraw/zinc/55/29/78/1017552978.db2.gz VJMDLFVUDVKJNE-GHMZBOCLSA-N -1 0 324.333 -0.191 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001599206496 1017553530 /nfs/dbraw/zinc/55/35/30/1017553530.db2.gz NCDXVFBRHRJQMQ-OUAUKWLOSA-N -1 0 314.338 -0.818 20 0 DBADRM COC[C@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001599207873 1017553617 /nfs/dbraw/zinc/55/36/17/1017553617.db2.gz NIZDAJFZTCFZEE-VIFPVBQESA-N -1 0 316.335 -0.184 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C[C@@H](C)O1 ZINC001599204766 1017553941 /nfs/dbraw/zinc/55/39/41/1017553941.db2.gz CLSHQAVNKATPJO-SFYZADRCSA-N -1 0 319.339 -0.468 20 0 DBADRM COCCC(=O)N(C)C[C@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001599208971 1017555378 /nfs/dbraw/zinc/55/53/78/1017555378.db2.gz XVYOUQWZETZSTQ-SNVBAGLBSA-N -1 0 312.326 -0.558 20 0 DBADRM COCC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C(=O)[O-] ZINC001599214344 1017555646 /nfs/dbraw/zinc/55/56/46/1017555646.db2.gz UNTUJYOKPWGPPK-IUCAKERBSA-N -1 0 310.372 -0.834 20 0 DBADRM COCC[C@@H](NC(=O)CC[C@@H]1C[C@H](C(=O)OC)CO1)C(=O)[O-] ZINC001599214857 1017556010 /nfs/dbraw/zinc/55/60/10/1017556010.db2.gz LHKVFUFAXHHPBZ-HBNTYKKESA-N -1 0 317.338 -0.049 20 0 DBADRM COCC[C@@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C(=O)OC ZINC001599214929 1017556175 /nfs/dbraw/zinc/55/61/75/1017556175.db2.gz OMICCFOSVAKKLM-HBNTYKKESA-N -1 0 317.338 -0.049 20 0 DBADRM COCC[C@H](COC)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001599211986 1017556253 /nfs/dbraw/zinc/55/62/53/1017556253.db2.gz QFMVPIZWZNFCCJ-GHMZBOCLSA-N -1 0 316.354 -0.523 20 0 DBADRM COCC[C@@H](COC)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599212381 1017556288 /nfs/dbraw/zinc/55/62/88/1017556288.db2.gz UJEYVCITTASUJC-GUBZILKMSA-N -1 0 319.358 -0.685 20 0 DBADRM COCC[C@H](NC(=O)COCC(=O)OC(C)(C)C)C(=O)[O-] ZINC001599214133 1017556436 /nfs/dbraw/zinc/55/64/36/1017556436.db2.gz CVZZDJBKCLGBLZ-VIFPVBQESA-N -1 0 305.327 -0.049 20 0 DBADRM COCC[C@H](NC(=O)c1nnn2cc(C)[nH]c(=O)c12)C(=O)[O-] ZINC001599219513 1017557481 /nfs/dbraw/zinc/55/74/81/1017557481.db2.gz ZIEUQHGPQNMMJG-ZETCQYMHSA-N -1 0 309.282 -0.642 20 0 DBADRM COCC[C@H](NC(=O)c1cn(Cc2ccccn2)nn1)C(=O)[O-] ZINC001599217380 1017557758 /nfs/dbraw/zinc/55/77/58/1017557758.db2.gz MKVMTXBIOWJCKR-NSHDSACASA-N -1 0 319.321 -0.059 20 0 DBADRM COCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-] ZINC001599215057 1017558258 /nfs/dbraw/zinc/55/82/58/1017558258.db2.gz IFTNSUZLNBNKKY-PSASIEDQSA-N -1 0 310.310 -0.632 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(N)=O ZINC001599218919 1017558769 /nfs/dbraw/zinc/55/87/69/1017558769.db2.gz MHKVXJVXDYYBQZ-ZETCQYMHSA-N -1 0 322.364 -0.385 20 0 DBADRM COCCC1CN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001599220520 1017558897 /nfs/dbraw/zinc/55/88/97/1017558897.db2.gz BDCKDHJIRSMVIB-IUCAKERBSA-N -1 0 301.343 -0.358 20 0 DBADRM COCCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C1CCCC1 ZINC001599228980 1017560207 /nfs/dbraw/zinc/56/02/07/1017560207.db2.gz JAJURFHSGWHGTO-JTQLQIEISA-N -1 0 304.318 -0.057 20 0 DBADRM COCC[C@@H]1CNCCN1S(=O)(=O)c1occc1C(=O)[O-] ZINC001599221677 1017560618 /nfs/dbraw/zinc/56/06/18/1017560618.db2.gz YLPUQDBHQIDWMZ-SECBINFHSA-N -1 0 318.351 -0.023 20 0 DBADRM COCCCN(C)C(=O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001599222041 1017560993 /nfs/dbraw/zinc/56/09/93/1017560993.db2.gz GXGBLEDJFIGGIP-JTQLQIEISA-N -1 0 318.395 -0.243 20 0 DBADRM COCCCNC(=O)[C@@H](C)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599225917 1017561058 /nfs/dbraw/zinc/56/10/58/1017561058.db2.gz WVICXJMUPSNJHM-QMTHXVAHSA-N -1 0 313.354 -0.167 20 0 DBADRM COCCCOCC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599227000 1017561135 /nfs/dbraw/zinc/56/11/35/1017561135.db2.gz NGVFPWLVLROMDH-WDEREUQCSA-N -1 0 314.338 -0.913 20 0 DBADRM COCCN(C)S(=O)(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001599232015 1017563385 /nfs/dbraw/zinc/56/33/85/1017563385.db2.gz KNCLAISHAQPYLE-ZJUUUORDSA-N -1 0 310.372 -0.864 20 0 DBADRM COCCCn1cc(C(=O)N2CCN(CC(=O)[O-])CC2)cn1 ZINC001599230425 1017563440 /nfs/dbraw/zinc/56/34/40/1017563440.db2.gz TWRVZPVIJQTYNM-UHFFFAOYSA-N -1 0 310.354 -0.238 20 0 DBADRM COCCCn1ccc(NC(=O)C(=O)NC(C)(C)C(=O)[O-])n1 ZINC001599230394 1017563981 /nfs/dbraw/zinc/56/39/81/1017563981.db2.gz ZFKKTFHNRMPXRK-UHFFFAOYSA-N -1 0 312.326 -0.163 20 0 DBADRM COCCN(C)CCNS(=O)(=O)c1occc1C(=O)[O-] ZINC001599232232 1017564366 /nfs/dbraw/zinc/56/43/66/1017564366.db2.gz PPYYXNXOYGAHGC-UHFFFAOYSA-N -1 0 306.340 -0.166 20 0 DBADRM COCCCn1cc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])cn1 ZINC001599230199 1017564560 /nfs/dbraw/zinc/56/45/60/1017564560.db2.gz OGZRHMZTXRPAFJ-LBPRGKRZSA-N -1 0 321.337 -0.001 20 0 DBADRM COCCN1C[C@H](C(=O)N2CC[C@](OC)(C(=O)[O-])C2)CC1=O ZINC001599241692 1017567019 /nfs/dbraw/zinc/56/70/19/1017567019.db2.gz ZETOQDBKJNKTNL-QMTHXVAHSA-N -1 0 314.338 -0.817 20 0 DBADRM COCCN1C[C@H](C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1=O ZINC001599240573 1017568754 /nfs/dbraw/zinc/56/87/54/1017568754.db2.gz QOHRWLFIIJCFJX-HFAKWTLXSA-N -1 0 310.350 -0.053 20 0 DBADRM COCCNC(=O)C1(NC(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC001599242149 1017569060 /nfs/dbraw/zinc/56/90/60/1017569060.db2.gz OPJXMBLBRCSHBT-UHFFFAOYSA-N -1 0 307.306 -0.195 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CC[C@](OC)(C(=O)[O-])C2)CC1=O ZINC001599241690 1017569779 /nfs/dbraw/zinc/56/97/79/1017569779.db2.gz ZETOQDBKJNKTNL-IINYFYTJSA-N -1 0 314.338 -0.817 20 0 DBADRM COCCN1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])nn2)C1 ZINC001599240610 1017569851 /nfs/dbraw/zinc/56/98/51/1017569851.db2.gz RHINFZCKGOKPNP-NWDGAFQWSA-N -1 0 323.353 -0.882 20 0 DBADRM COCCOCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001599248398 1017570585 /nfs/dbraw/zinc/57/05/85/1017570585.db2.gz XGCGOSQSRXWSTF-MNOVXSKESA-N -1 0 314.338 -0.959 20 0 DBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)c1cc(C(=O)[O-])no1 ZINC001599249004 1017571818 /nfs/dbraw/zinc/57/18/18/1017571818.db2.gz GKEFJEKIHSUWPH-GZMMTYOYSA-N -1 0 314.294 -0.077 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001599249496 1017572190 /nfs/dbraw/zinc/57/21/90/1017572190.db2.gz LKMDVVRGNCLLAA-DCAQKATOSA-N -1 0 316.354 -0.524 20 0 DBADRM COCCOCCC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599251165 1017573065 /nfs/dbraw/zinc/57/30/65/1017573065.db2.gz ZEOMLCVOSCTSPG-CYBMUJFWSA-N -1 0 300.311 -0.129 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC001599261788 1017573392 /nfs/dbraw/zinc/57/33/92/1017573392.db2.gz AWISOEOKSVAFLJ-YGOYTEALSA-N -1 0 305.352 -0.583 20 0 DBADRM COCCOCCC(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001599250903 1017574169 /nfs/dbraw/zinc/57/41/69/1017574169.db2.gz GJFGPTWPVMYZDI-QWRGUYRKSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCOCCN(C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001599250771 1017574375 /nfs/dbraw/zinc/57/43/75/1017574375.db2.gz VJTGIJFXQUYPIM-UHFFFAOYSA-N -1 0 307.328 -0.609 20 0 DBADRM COCCc1noc(CN(C)C(=O)NC[C@H](F)C(=O)[O-])n1 ZINC001599264810 1017575567 /nfs/dbraw/zinc/57/55/67/1017575567.db2.gz ITPJMZODXJVRON-ZETCQYMHSA-N -1 0 304.278 -0.177 20 0 DBADRM COCCn1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c(=O)cc1C ZINC001599270952 1017575713 /nfs/dbraw/zinc/57/57/13/1017575713.db2.gz FUNCNBMBJVNOTG-GFCCVEGCSA-N -1 0 324.333 -0.271 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)n1 ZINC001599270678 1017575964 /nfs/dbraw/zinc/57/59/64/1017575964.db2.gz BQUUIPPUEQRSIJ-UHFFFAOYSA-N -1 0 322.321 -0.456 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001599262453 1017575993 /nfs/dbraw/zinc/57/59/93/1017575993.db2.gz SVUNMRDHDDIKDL-JTQLQIEISA-N -1 0 311.381 -0.876 20 0 DBADRM COCCn1c(COC)nnc1N1CC[C@](OC)(C(=O)[O-])C1 ZINC001599269575 1017576366 /nfs/dbraw/zinc/57/63/66/1017576366.db2.gz VZQIMOJMHVJEGK-CYBMUJFWSA-N -1 0 314.342 -0.249 20 0 DBADRM COC[C@@H](O)CNS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001599276286 1017579000 /nfs/dbraw/zinc/57/90/00/1017579000.db2.gz SDNILBMACCFWOK-JTQLQIEISA-N -1 0 309.384 -0.052 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001599276112 1017579405 /nfs/dbraw/zinc/57/94/05/1017579405.db2.gz ZVKFHLSGOHYENB-JTQLQIEISA-N -1 0 303.336 -0.401 20 0 DBADRM COCc1cc(NC(=O)C(=O)N[C@@H](CC(=O)[O-])C2CC2)ncn1 ZINC001599282672 1017580294 /nfs/dbraw/zinc/58/02/94/1017580294.db2.gz CCHPLTDSNJWDOG-JTQLQIEISA-N -1 0 322.321 -0.069 20 0 DBADRM COCc1cncc(C(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC001599298901 1017580636 /nfs/dbraw/zinc/58/06/36/1017580636.db2.gz XZHRWCOREFNONF-NEPJUHHUSA-N -1 0 321.333 -0.205 20 0 DBADRM COCc1cc(NC(=O)C(=O)N[C@H](C)CO)cc(C(=O)[O-])c1 ZINC001599283056 1017580824 /nfs/dbraw/zinc/58/08/24/1017580824.db2.gz OWJDZSZZJBVCER-MRVPVSSYSA-N -1 0 310.306 -0.033 20 0 DBADRM COCc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(N)=O ZINC001599293232 1017581058 /nfs/dbraw/zinc/58/10/58/1017581058.db2.gz PURGZYYTOUSMEI-ZETCQYMHSA-N -1 0 316.335 -0.317 20 0 DBADRM COC[C@H]1C[C@@H](n2nnnc2N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)C1 ZINC001599277204 1017581291 /nfs/dbraw/zinc/58/12/91/1017581291.db2.gz SUJUTMSPHOIDCG-CHWFTXMASA-N -1 0 311.342 -0.051 20 0 DBADRM COCc1cc(NC(=O)C(=O)N[C@@H](C)CO)cc(C(=O)[O-])c1 ZINC001599283057 1017582153 /nfs/dbraw/zinc/58/21/53/1017582153.db2.gz OWJDZSZZJBVCER-QMMMGPOBSA-N -1 0 310.306 -0.033 20 0 DBADRM COC[C@H]1C[C@@H](NC(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)C1 ZINC001599277699 1017582222 /nfs/dbraw/zinc/58/22/22/1017582222.db2.gz OSBKNXOBFCYQIK-ZRUFSTJUSA-N -1 0 314.338 -0.073 20 0 DBADRM COCc1nccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC001599305202 1017582956 /nfs/dbraw/zinc/58/29/56/1017582956.db2.gz IRFGKUDZQQJFIW-QMMMGPOBSA-N -1 0 308.294 -0.505 20 0 DBADRM COCn1nccc1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599309285 1017583920 /nfs/dbraw/zinc/58/39/20/1017583920.db2.gz WLVUXWKMYXUPSV-BDAKNGLRSA-N -1 0 319.339 -0.650 20 0 DBADRM COCc1ncc(CNC(=O)Cn2cc(C(=O)[O-])cn2)c(N)n1 ZINC001599304647 1017584380 /nfs/dbraw/zinc/58/43/80/1017584380.db2.gz VIGJCSDSECWCMO-UHFFFAOYSA-N -1 0 320.309 -0.584 20 0 DBADRM CON(C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)[C@@H](C)CC(=O)[O-] ZINC001599308577 1017584626 /nfs/dbraw/zinc/58/46/26/1017584626.db2.gz BQHDWTHVLZNMHW-VHSXEESVSA-N -1 0 322.383 -0.642 20 0 DBADRM COCc1noc(CN(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001599307724 1017584826 /nfs/dbraw/zinc/58/48/26/1017584826.db2.gz DYFAPLXCYSOPTJ-IUCAKERBSA-N -1 0 312.326 -0.515 20 0 DBADRM CON(C)C(=O)C1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001599315924 1017585905 /nfs/dbraw/zinc/58/59/05/1017585905.db2.gz OSEIHINSTVURBB-NSHDSACASA-N -1 0 313.354 -0.391 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001599315758 1017586208 /nfs/dbraw/zinc/58/62/08/1017586208.db2.gz ZFMNKYWWFLHUNC-KXUCPTDWSA-N -1 0 302.327 -0.219 20 0 DBADRM CON(C(=O)c1coc(S(N)(=O)=O)c1)[C@@H](C)CC(=O)[O-] ZINC001599312724 1017586436 /nfs/dbraw/zinc/58/64/36/1017586436.db2.gz GDKAUHOVABTGIQ-LURJTMIESA-N -1 0 306.296 -0.206 20 0 DBADRM CON1CCC(CC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001599318357 1017587189 /nfs/dbraw/zinc/58/71/89/1017587189.db2.gz KUZMAEPTSXOVQW-RYUDHWBXSA-N -1 0 300.355 -0.056 20 0 DBADRM CON(C(=O)C[C@]1(C)CCS(=O)(=O)N1)[C@@H](C)CC(=O)[O-] ZINC001599312958 1017587204 /nfs/dbraw/zinc/58/72/04/1017587204.db2.gz UWCQRZDGHKHLJB-KWQFWETISA-N -1 0 308.356 -0.289 20 0 DBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001599322905 1017588167 /nfs/dbraw/zinc/58/81/67/1017588167.db2.gz YFCPHITUTNTQRM-MMWGEVLESA-N -1 0 307.368 -0.037 20 0 DBADRM CO[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599321793 1017588218 /nfs/dbraw/zinc/58/82/18/1017588218.db2.gz ALKYEMRTWBMPFO-QEYWKRMJSA-N -1 0 322.383 -0.549 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001599322626 1017588666 /nfs/dbraw/zinc/58/86/66/1017588666.db2.gz OPFLJEUHOHGJCC-GHMZBOCLSA-N -1 0 310.306 -0.533 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001599322997 1017589770 /nfs/dbraw/zinc/58/97/70/1017589770.db2.gz YPGLKBCLRWMLKJ-GHMZBOCLSA-N -1 0 316.335 -0.138 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3ccnc(C(=O)[O-])n3)C[C@H]21 ZINC001599324686 1017590931 /nfs/dbraw/zinc/59/09/31/1017590931.db2.gz SZVRNCKOGYVBFN-YIZRAAEISA-N -1 0 313.335 -0.577 20 0 DBADRM COc1c(C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)cnn1C ZINC001599331516 1017591285 /nfs/dbraw/zinc/59/12/85/1017591285.db2.gz LGFKMAPHZDHRRJ-JTQLQIEISA-N -1 0 313.310 -0.189 20 0 DBADRM COc1c(F)cccc1S(=O)(=O)NC[C@H](O)CC(=O)[O-] ZINC001599335468 1017591495 /nfs/dbraw/zinc/59/14/95/1017591495.db2.gz IXUAQRRTEFVLDC-SSDOTTSWSA-N -1 0 307.299 -0.052 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@](C)(CCF)C(=O)[O-] ZINC001599328483 1017591682 /nfs/dbraw/zinc/59/16/82/1017591682.db2.gz FSPWSFWFIVFZMU-LLVKDONJSA-N -1 0 303.246 -0.171 20 0 DBADRM CO[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001599324702 1017591789 /nfs/dbraw/zinc/59/17/89/1017591789.db2.gz AUYMSKNYPXOUQK-MWLCHTKSSA-N -1 0 306.322 -0.142 20 0 DBADRM CO[C@]12CCC[C@@]1(C(=O)NCC(=O)NCC(=O)[O-])CCO2 ZINC001599327299 1017591905 /nfs/dbraw/zinc/59/19/05/1017591905.db2.gz IJOGTHJXAGZBSB-STQMWFEESA-N -1 0 300.311 -0.763 20 0 DBADRM COc1c(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])c(C)nn1C ZINC001599329054 1017591965 /nfs/dbraw/zinc/59/19/65/1017591965.db2.gz QHEKAFPVYCQNOX-MRVPVSSYSA-N -1 0 313.310 -0.317 20 0 DBADRM CO[C@@H]1C[C@H]1C(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-] ZINC001599324555 1017592272 /nfs/dbraw/zinc/59/22/72/1017592272.db2.gz KPSZOEGSBDRNGP-SGIHWFKDSA-N -1 0 316.379 -0.098 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001599324033 1017592459 /nfs/dbraw/zinc/59/24/59/1017592459.db2.gz MGINZQVOSKZRQR-OPRDCNLKSA-N -1 0 304.368 -0.141 20 0 DBADRM CO[C@H]1C[C@@H](CNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001599326075 1017592531 /nfs/dbraw/zinc/59/25/31/1017592531.db2.gz OATUWRSGJGAHMI-OCAPTIKFSA-N -1 0 310.310 -0.402 20 0 DBADRM CO[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)C1 ZINC001599325564 1017592579 /nfs/dbraw/zinc/59/25/79/1017592579.db2.gz LQIMKMCECWQFGD-KZZRWZIVSA-N -1 0 310.350 -0.151 20 0 DBADRM CO[C@@H]1CN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C[C@@H]1OC ZINC001599325965 1017592891 /nfs/dbraw/zinc/59/28/91/1017592891.db2.gz VXMLIRAKSRFWRP-UTUOFQBUSA-N -1 0 302.371 -0.053 20 0 DBADRM COc1cc(=O)[nH]cc1C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001599349469 1017593883 /nfs/dbraw/zinc/59/38/83/1017593883.db2.gz RLZBUMLXYMHMBI-QMMMGPOBSA-N -1 0 307.266 -0.730 20 0 DBADRM COc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])on1 ZINC001599351104 1017594045 /nfs/dbraw/zinc/59/40/45/1017594045.db2.gz DNNPZKFVFXSORM-SSDOTTSWSA-N -1 0 318.307 -0.603 20 0 DBADRM COc1c(NC(=O)C(=O)N[C@H]2C[C@@H](O)C2)cccc1C(=O)[O-] ZINC001599336064 1017594451 /nfs/dbraw/zinc/59/44/51/1017594451.db2.gz BWRHPZSWOMNLTP-OCAPTIKFSA-N -1 0 308.290 -0.029 20 0 DBADRM COc1cc(C(=O)NC[C@@H](C)Nc2ccnc(C(=O)[O-])n2)on1 ZINC001599354275 1017594799 /nfs/dbraw/zinc/59/47/99/1017594799.db2.gz NXITVXHMKLPFIT-SSDOTTSWSA-N -1 0 321.293 -0.176 20 0 DBADRM COc1c(NC(=O)C(=O)N[C@H]2C[C@H](O)C2)cccc1C(=O)[O-] ZINC001599336066 1017594890 /nfs/dbraw/zinc/59/48/90/1017594890.db2.gz BWRHPZSWOMNLTP-ZKCHVHJHSA-N -1 0 308.290 -0.029 20 0 DBADRM COc1c(NC(=O)C(=O)N[C@@H](C)CC(N)=O)cccc1C(=O)[O-] ZINC001599337244 1017595119 /nfs/dbraw/zinc/59/51/19/1017595119.db2.gz SPJKVBSUJWFIBZ-ZETCQYMHSA-N -1 0 323.305 -0.288 20 0 DBADRM COc1c[nH]c(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1=O ZINC001599345939 1017595246 /nfs/dbraw/zinc/59/52/46/1017595246.db2.gz VAMVQXQDNBQYQG-GFCCVEGCSA-N -1 0 310.306 -0.319 20 0 DBADRM COc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])ccn1 ZINC001599351455 1017595509 /nfs/dbraw/zinc/59/55/09/1017595509.db2.gz UOZXJNFAUKMKDF-SECBINFHSA-N -1 0 314.319 -0.586 20 0 DBADRM COc1cc(CC(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])ccn1 ZINC001599400427 1017596550 /nfs/dbraw/zinc/59/65/50/1017596550.db2.gz ILKKPUAXINFJBM-MNOVXSKESA-N -1 0 321.333 -0.414 20 0 DBADRM COc1cc(CNC(=O)N2C[C@H](CO)[C@H](O)C2)ccc1C(=O)[O-] ZINC001599409756 1017596720 /nfs/dbraw/zinc/59/67/20/1017596720.db2.gz HWENSMJIHVBACX-ZYHUDNBSSA-N -1 0 324.333 -0.112 20 0 DBADRM COc1cc(CS(=O)(=O)NC[C@H](O)CC(=O)[O-])sn1 ZINC001599416848 1017596759 /nfs/dbraw/zinc/59/67/59/1017596759.db2.gz KLQTZHFTBGTOCO-ZCFIWIBFSA-N -1 0 310.353 -0.593 20 0 DBADRM COc1cc(CNC(=O)C[C@@H]2NC(=O)NC2=O)ccc1C(=O)[O-] ZINC001599409689 1017597038 /nfs/dbraw/zinc/59/70/38/1017597038.db2.gz BZQSUSQZEGYLAM-VIFPVBQESA-N -1 0 321.289 -0.392 20 0 DBADRM COc1cc(CCNC(=O)N2CC(O)(C(=O)[O-])C2)ccc1O ZINC001599403123 1017597564 /nfs/dbraw/zinc/59/75/64/1017597564.db2.gz DWUKCVJFAJBHFC-UHFFFAOYSA-N -1 0 310.306 -0.216 20 0 DBADRM COc1cc(NC(=O)C(=O)NCCSCC(=O)[O-])[nH]n1 ZINC001599429118 1017597733 /nfs/dbraw/zinc/59/77/33/1017597733.db2.gz ILHGEIHQJBHQPZ-UHFFFAOYSA-N -1 0 302.312 -0.709 20 0 DBADRM COc1cc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)ccn1 ZINC001599408364 1017597903 /nfs/dbraw/zinc/59/79/03/1017597903.db2.gz DPAXACRPBAFHIC-JTQLQIEISA-N -1 0 323.305 -0.982 20 0 DBADRM COc1ccc([C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C(=O)[O-])cc1O ZINC001599520297 1017599372 /nfs/dbraw/zinc/59/93/72/1017599372.db2.gz ZQQBFVLSOWVAAR-KCJUWKMLSA-N -1 0 323.305 -0.334 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cn(CC(N)=O)nn2)c1 ZINC001599489724 1017599516 /nfs/dbraw/zinc/59/95/16/1017599516.db2.gz DBGMPKTZZUBBIL-UHFFFAOYSA-N -1 0 319.277 -0.278 20 0 DBADRM COc1cc(S(=O)(=O)N2CC(=O)N(C)C2)ccc1C(=O)[O-] ZINC001599459085 1017599946 /nfs/dbraw/zinc/59/99/46/1017599946.db2.gz HQPMNTSDRZAARF-UHFFFAOYSA-N -1 0 314.319 -0.186 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N2CC(=O)N(C)C2)c1 ZINC001599489246 1017599968 /nfs/dbraw/zinc/59/99/68/1017599968.db2.gz VQCQNHNKCAYNEP-UHFFFAOYSA-N -1 0 321.289 -0.410 20 0 DBADRM COc1cc[nH]c(=O)c1C(=O)NCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001599467200 1017600119 /nfs/dbraw/zinc/60/01/19/1017600119.db2.gz YHNJAPJIDKAOKW-HTQZYQBOSA-N -1 0 323.305 -0.638 20 0 DBADRM COc1cc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])sn1 ZINC001599460397 1017600454 /nfs/dbraw/zinc/60/04/54/1017600454.db2.gz RNHYKZFXKNAQKA-HZGVNTEJSA-N -1 0 322.364 -0.250 20 0 DBADRM COc1ccc([C@@H](NC(=O)C2CS(=O)(=O)C2)C(=O)[O-])cc1 ZINC001599516121 1017600587 /nfs/dbraw/zinc/60/05/87/1017600587.db2.gz BIAJTAFJFVIQKQ-LLVKDONJSA-N -1 0 313.331 -0.018 20 0 DBADRM COc1ccc(C(=O)[O-])cc1Cn1cc(S(N)(=O)=O)nn1 ZINC001599500156 1017600676 /nfs/dbraw/zinc/60/06/76/1017600676.db2.gz VNALGQIALQSGSD-UHFFFAOYSA-N -1 0 312.307 -0.319 20 0 DBADRM COc1ccc(C(=O)N2CC(C(=O)[O-])C2)cc1-n1cnnn1 ZINC001599480277 1017600821 /nfs/dbraw/zinc/60/08/21/1017600821.db2.gz SQACKPRWQKZACR-UHFFFAOYSA-N -1 0 303.278 -0.173 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)C(=O)NCc2cn[nH]n2)c1 ZINC001599487459 1017600848 /nfs/dbraw/zinc/60/08/48/1017600848.db2.gz MYXDOOVWJSZYMM-UHFFFAOYSA-N -1 0 319.277 -0.234 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N[C@@H](C)CC(N)=O)c1 ZINC001599487523 1017600874 /nfs/dbraw/zinc/60/08/74/1017600874.db2.gz OCACOAIFAZVMAS-ZETCQYMHSA-N -1 0 323.305 -0.288 20 0 DBADRM CS(=O)(=O)C1(C(=O)OCC(=O)C2(C(=O)[O-])CC2)CCC1 ZINC001599745348 1017617996 /nfs/dbraw/zinc/61/79/96/1017617996.db2.gz ZQUAEGPXQPIKOO-UHFFFAOYSA-N -1 0 304.320 -0.069 20 0 DBADRM COc1ccc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)nn1 ZINC001599480705 1017600895 /nfs/dbraw/zinc/60/08/95/1017600895.db2.gz JNCOLYHKNOSOQE-ZDUSSCGKSA-N -1 0 306.278 -0.069 20 0 DBADRM COc1ccc(C(=O)N[C@@](C)(CO)C(=O)[O-])cc1OCCO ZINC001599482987 1017601057 /nfs/dbraw/zinc/60/10/57/1017601057.db2.gz LIBMNLAAWOKERM-AWEZNQCLSA-N -1 0 313.306 -0.368 20 0 DBADRM COc1ccc([C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C(=O)[O-])cc1 ZINC001599523148 1017602083 /nfs/dbraw/zinc/60/20/83/1017602083.db2.gz QYUBJWFDYUDADB-TUAOUCFPSA-N -1 0 322.317 -0.030 20 0 DBADRM COc1ccc(CN2CC[C@@H]2C(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC001599561632 1017602807 /nfs/dbraw/zinc/60/28/07/1017602807.db2.gz WYGPKICERPJUIX-QWHCGFSZSA-N -1 0 308.334 -0.169 20 0 DBADRM COc1ccc(CNC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001599572464 1017602893 /nfs/dbraw/zinc/60/28/93/1017602893.db2.gz MDPVUSRJMYBEPW-WDEREUQCSA-N -1 0 320.349 -0.056 20 0 DBADRM COc1ccc([C@H](NC(=O)C[C@H]2CC(=O)N2)C(=O)[O-])cc1O ZINC001599520696 1017603148 /nfs/dbraw/zinc/60/31/48/1017603148.db2.gz VFMBREWPMSJFDC-OQPBUACISA-N -1 0 308.290 -0.079 20 0 DBADRM COc1ccc([C@@H](NC(=O)[C@@H]2CN(C)CCO2)C(=O)[O-])cc1O ZINC001599520354 1017603352 /nfs/dbraw/zinc/60/33/52/1017603352.db2.gz ZYGYGHBLQQWEQB-QWHCGFSZSA-N -1 0 324.333 -0.027 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC001599562495 1017603395 /nfs/dbraw/zinc/60/33/95/1017603395.db2.gz NIDBRHWMERMSKX-SNVBAGLBSA-N -1 0 323.305 -0.982 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1 ZINC001599586373 1017603559 /nfs/dbraw/zinc/60/35/59/1017603559.db2.gz QGLGVVDJJBIPGJ-MWLCHTKSSA-N -1 0 322.317 -0.072 20 0 DBADRM COc1ccc(F)cc1CS(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC001599584879 1017603603 /nfs/dbraw/zinc/60/36/03/1017603603.db2.gz WLJWFOJEBRIVRJ-SECBINFHSA-N -1 0 307.299 -0.301 20 0 DBADRM COc1ccc([C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C(=O)[O-])cc1 ZINC001599523147 1017603849 /nfs/dbraw/zinc/60/38/49/1017603849.db2.gz QYUBJWFDYUDADB-QJPTWQEYSA-N -1 0 322.317 -0.030 20 0 DBADRM CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)COCC(=O)[O-] ZINC001599750310 1017621092 /nfs/dbraw/zinc/62/10/92/1017621092.db2.gz AGSKTDUKBAAAQH-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM COc1ccc(NC(=O)C(=O)NCc2cn[nH]n2)c(C(=O)[O-])c1 ZINC001599588832 1017605370 /nfs/dbraw/zinc/60/53/70/1017605370.db2.gz ICSKEVLVUBYAIZ-UHFFFAOYSA-N -1 0 319.277 -0.234 20 0 DBADRM COc1ccc2c(c1)ncc(C(=O)N1CC(O)(C(=O)[O-])C1)c2O ZINC001599625896 1017605471 /nfs/dbraw/zinc/60/54/71/1017605471.db2.gz KDVVWUBAXVTDKN-UHFFFAOYSA-N -1 0 318.285 -0.192 20 0 DBADRM COc1ccc(O)cc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001599599890 1017605530 /nfs/dbraw/zinc/60/55/30/1017605530.db2.gz VJFPBQDGVWEXSX-JTQLQIEISA-N -1 0 308.290 -0.184 20 0 DBADRM COc1ccc2c(c1)ncn(CC(=O)NCCC(=O)[O-])c2=O ZINC001599622968 1017605612 /nfs/dbraw/zinc/60/56/12/1017605612.db2.gz FBWHZDMJRVMFOL-UHFFFAOYSA-N -1 0 305.290 -0.004 20 0 DBADRM COc1cccc(C2=NO[C@H](C(=O)NC[C@H](O)C(=O)[O-])C2)c1 ZINC001599667202 1017606177 /nfs/dbraw/zinc/60/61/77/1017606177.db2.gz MVARWHIZSNGHKL-RYUDHWBXSA-N -1 0 308.290 -0.250 20 0 DBADRM COc1cccc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001599643135 1017606746 /nfs/dbraw/zinc/60/67/46/1017606746.db2.gz WQVZYZFRQHBLRA-ZJUUUORDSA-N -1 0 321.333 -0.001 20 0 DBADRM COc1cccc(CO[C@H](C)C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001599675225 1017607643 /nfs/dbraw/zinc/60/76/43/1017607643.db2.gz SHHKHXKROIJKKK-SNVBAGLBSA-N -1 0 324.333 -0.083 20 0 DBADRM COc1cccc([C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(=O)[O-])c1 ZINC001599686336 1017608433 /nfs/dbraw/zinc/60/84/33/1017608433.db2.gz FDKAQMJGVFGWAA-ONGXEEELSA-N -1 0 321.289 -0.465 20 0 DBADRM COc1cccn2c(=O)n(CN3CC[C@](OC)(C(=O)[O-])C3)nc12 ZINC001599719464 1017608487 /nfs/dbraw/zinc/60/84/87/1017608487.db2.gz PGBMGPODCOJBEX-CQSZACIVSA-N -1 0 322.321 -0.362 20 0 DBADRM COc1ccccc1OCC(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001599714835 1017608701 /nfs/dbraw/zinc/60/87/01/1017608701.db2.gz KWHZXMWPSOZEQL-SNVBAGLBSA-N -1 0 320.305 -0.065 20 0 DBADRM COc1ccccc1C[C@@H](CNC(=O)[C@@H]1CC(=O)N1)C(=O)[O-] ZINC001599706588 1017608823 /nfs/dbraw/zinc/60/88/23/1017608823.db2.gz NPXGLSZNQXELOS-QWRGUYRKSA-N -1 0 306.318 -0.057 20 0 DBADRM COc1ccccc1COC[C@H](O)Cn1nnc(CC(=O)[O-])n1 ZINC001599712421 1017608972 /nfs/dbraw/zinc/60/89/72/1017608972.db2.gz DSRXPIFNJHUUEH-LLVKDONJSA-N -1 0 322.321 -0.114 20 0 DBADRM COc1cncnc1NC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001599728144 1017610398 /nfs/dbraw/zinc/61/03/98/1017610398.db2.gz IYISGCWVVQWZCS-QMMMGPOBSA-N -1 0 306.278 -0.287 20 0 DBADRM COc1cncc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001599726922 1017610922 /nfs/dbraw/zinc/61/09/22/1017610922.db2.gz YOJQHRFAOGSPOW-RKDXNWHRSA-N -1 0 322.321 -0.558 20 0 DBADRM COc1cccn2c(=O)n(CN3C[C@@H](C)O[C@H](C(=O)[O-])C3)nc12 ZINC001599719668 1017611247 /nfs/dbraw/zinc/61/12/47/1017611247.db2.gz WCKBBNWWEHIDDQ-KOLCDFICSA-N -1 0 322.321 -0.364 20 0 DBADRM COc1cncc(NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)n1 ZINC001599727248 1017611312 /nfs/dbraw/zinc/61/13/12/1017611312.db2.gz PWDPIFPIJGPOKL-YUMQZZPRSA-N -1 0 324.293 -0.876 20 0 DBADRM COc1ccnc(N2CCN(CC(=O)NCCC(=O)[O-])CC2)n1 ZINC001599721684 1017611534 /nfs/dbraw/zinc/61/15/34/1017611534.db2.gz UCIKXVIUHAMMDV-UHFFFAOYSA-N -1 0 323.353 -0.802 20 0 DBADRM COc1cnc(F)c(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])c1 ZINC001599724793 1017611601 /nfs/dbraw/zinc/61/16/01/1017611601.db2.gz NKJYVZIFGKWMLG-LURJTMIESA-N -1 0 300.242 -0.025 20 0 DBADRM COc1cncnc1NC(=O)C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC001599728074 1017611746 /nfs/dbraw/zinc/61/17/46/1017611746.db2.gz GMJJVIAUMWNFNH-UHFFFAOYSA-N -1 0 306.278 -0.501 20 0 DBADRM CC(C)CC(=O)NC1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001498085042 1017611787 /nfs/dbraw/zinc/61/17/87/1017611787.db2.gz PMNSQXOHWLYLAF-UHFFFAOYSA-N -1 0 323.353 -0.412 20 0 DBADRM C[S@@](=O)CCCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001599774700 1017629041 /nfs/dbraw/zinc/62/90/41/1017629041.db2.gz FLTQXIBSXWSFPX-GSDQLPOLSA-N -1 0 304.368 -0.806 20 0 DBADRM COc1nccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001599734301 1017612916 /nfs/dbraw/zinc/61/29/16/1017612916.db2.gz DTMGALRKXQDYNS-BDAKNGLRSA-N -1 0 320.305 -0.854 20 0 DBADRM COc1ncc(CN2[C@H](C(=O)[O-])CCS2(=O)=O)c(C)n1 ZINC001599734243 1017613015 /nfs/dbraw/zinc/61/30/15/1017613015.db2.gz IYORPLFKFWQQFS-VIFPVBQESA-N -1 0 301.324 -0.218 20 0 DBADRM COc1ncc(C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])cn1 ZINC001599733139 1017613263 /nfs/dbraw/zinc/61/32/63/1017613263.db2.gz OXVSVRNAICGQCL-ZDUSSCGKSA-N -1 0 305.294 -0.045 20 0 DBADRM COc1cccnc1C(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599731839 1017613523 /nfs/dbraw/zinc/61/35/23/1017613523.db2.gz ILDRSCRKPHFIBO-ZJUUUORDSA-N -1 0 319.317 -0.249 20 0 DBADRM COc1ncccc1CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001599737648 1017613678 /nfs/dbraw/zinc/61/36/78/1017613678.db2.gz SRVHSGOTHTUEHO-UHFFFAOYSA-N -1 0 312.307 -0.010 20 0 DBADRM COc1nc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)co1 ZINC001599730119 1017614014 /nfs/dbraw/zinc/61/40/14/1017614014.db2.gz KWARUHUNBNWOGR-IUCAKERBSA-N -1 0 323.305 -0.313 20 0 DBADRM COc1ncccc1C(=O)N(C)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599737019 1017614101 /nfs/dbraw/zinc/61/41/01/1017614101.db2.gz YLJQOHWQTDVMNO-WDEREUQCSA-N -1 0 321.333 -0.001 20 0 DBADRM COc1ncnc(N(C)C)c1NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001599738853 1017615129 /nfs/dbraw/zinc/61/51/29/1017615129.db2.gz LWYYAUJXFMZCQW-UHFFFAOYSA-N -1 0 311.298 -0.786 20 0 DBADRM CS(=O)(=O)C1(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CC1 ZINC001599744411 1017615215 /nfs/dbraw/zinc/61/52/15/1017615215.db2.gz WSBHVOMQHBHJIL-QMMMGPOBSA-N -1 0 321.351 -0.714 20 0 DBADRM CS(=O)(=O)C1(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)CCC1 ZINC001599742980 1017615350 /nfs/dbraw/zinc/61/53/50/1017615350.db2.gz BHCXJKVDPNSKAS-NXEZZACHSA-N -1 0 319.379 -0.193 20 0 DBADRM COc1nn(C)cc1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001599739139 1017615478 /nfs/dbraw/zinc/61/54/78/1017615478.db2.gz IOUUDWDLSXOFDA-UHFFFAOYSA-N -1 0 306.282 -0.585 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CCC(O)(C(=O)[O-])CC2)CCC1 ZINC001599743283 1017615505 /nfs/dbraw/zinc/61/55/05/1017615505.db2.gz GTXRXGLKDWSAPD-UHFFFAOYSA-N -1 0 305.352 -0.608 20 0 DBADRM COc1nscc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001599743757 1017616003 /nfs/dbraw/zinc/61/60/03/1017616003.db2.gz VMLCAPJFPUKEIJ-MRVPVSSYSA-N -1 0 306.365 -0.165 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001599739488 1017616320 /nfs/dbraw/zinc/61/63/20/1017616320.db2.gz NOTIZYDWYQLATH-HTQZYQBOSA-N -1 0 308.294 -0.255 20 0 DBADRM CS(=O)(=O)C1(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCCC1 ZINC001599742833 1017616335 /nfs/dbraw/zinc/61/63/35/1017616335.db2.gz ADGUTRPRNFADOK-NXEZZACHSA-N -1 0 319.379 -0.050 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCC1 ZINC001599743233 1017616378 /nfs/dbraw/zinc/61/63/78/1017616378.db2.gz GDKSKGFGXIOUEB-SECBINFHSA-N -1 0 305.352 -0.344 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(c2cc(CC(=O)[O-])ccn2)CCO1 ZINC001599748461 1017618563 /nfs/dbraw/zinc/61/85/63/1017618563.db2.gz GLGWSIWYXBDKTJ-NSHDSACASA-N -1 0 314.363 -0.042 20 0 DBADRM CS(=O)(=O)C[C@H](C(=O)NC[C@H](O)C(=O)[O-])c1ccccc1 ZINC001599749397 1017618577 /nfs/dbraw/zinc/61/85/77/1017618577.db2.gz RKKYVJHWARXVFJ-QWRGUYRKSA-N -1 0 315.347 -0.624 20 0 DBADRM CS(=O)(=O)CC1(C(=O)NCC2(C(=O)[O-])CCCC2)COC1 ZINC001599747779 1017618808 /nfs/dbraw/zinc/61/88/08/1017618808.db2.gz FHUVQFBLHAISFJ-UHFFFAOYSA-N -1 0 319.379 -0.191 20 0 DBADRM CS(=O)(=O)C1(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])CCOCC1 ZINC001599745312 1017618884 /nfs/dbraw/zinc/61/88/84/1017618884.db2.gz XVRLFVFTUNWIBM-BDAKNGLRSA-N -1 0 305.352 -0.440 20 0 DBADRM CS(=O)(=O)CCCn1cc(CN2CCC[C@H]2C(=O)[O-])nn1 ZINC001599750815 1017619634 /nfs/dbraw/zinc/61/96/34/1017619634.db2.gz LYZLLHJELDWODX-NSHDSACASA-N -1 0 316.383 -0.238 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC001599750719 1017620157 /nfs/dbraw/zinc/62/01/57/1017620157.db2.gz FERGJAZUEOKTDK-IUCAKERBSA-N -1 0 313.397 -0.406 20 0 DBADRM CS(=O)(=O)CCCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001599750756 1017620238 /nfs/dbraw/zinc/62/02/38/1017620238.db2.gz HTEDNTQZKUFTSX-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM CS(=O)(=O)CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC001599751793 1017620344 /nfs/dbraw/zinc/62/03/44/1017620344.db2.gz ZSCAMZBMWQKEMH-MNOVXSKESA-N -1 0 318.395 -0.668 20 0 DBADRM CS(=O)(=O)CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC001599751794 1017620386 /nfs/dbraw/zinc/62/03/86/1017620386.db2.gz ZSCAMZBMWQKEMH-QWRGUYRKSA-N -1 0 318.395 -0.668 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)Cc1ccccc1C(=O)[O-] ZINC001599749692 1017620397 /nfs/dbraw/zinc/62/03/97/1017620397.db2.gz UVZXQGJSTXAMNS-JTQLQIEISA-N -1 0 315.347 -0.551 20 0 DBADRM CS(=O)(=O)CCCC(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001599750473 1017620463 /nfs/dbraw/zinc/62/04/63/1017620463.db2.gz FTSBBNXCSRIKFL-MRVPVSSYSA-N -1 0 309.340 -0.856 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)c1cc(C(=O)[O-])no1 ZINC001599751835 1017620897 /nfs/dbraw/zinc/62/08/97/1017620897.db2.gz PNHYANHCEGPVMP-UHFFFAOYSA-N -1 0 306.296 -0.836 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1 ZINC001599754097 1017622079 /nfs/dbraw/zinc/62/20/79/1017622079.db2.gz RCMKDSNDAUSYFU-SKDRFNHKSA-N -1 0 302.352 -0.657 20 0 DBADRM CS(=O)(=O)Cc1nnc(C[NH2+]C2CC(CC(=O)[O-])C2)[n-]1 ZINC001599753240 1017623156 /nfs/dbraw/zinc/62/31/56/1017623156.db2.gz GQTUAMCMDIUCFZ-UHFFFAOYSA-N -1 0 302.356 -0.308 20 0 DBADRM CS(=O)(=O)N1CCC(CC(=O)NOCCCC(=O)[O-])CC1 ZINC001599754704 1017623336 /nfs/dbraw/zinc/62/33/36/1017623336.db2.gz IXSHMERCZIIIFF-UHFFFAOYSA-N -1 0 322.383 -0.039 20 0 DBADRM CS(=O)(=O)Cc1nc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])cs1 ZINC001599753599 1017623507 /nfs/dbraw/zinc/62/35/07/1017623507.db2.gz ZQYIPRQQEHKMQE-RKDXNWHRSA-N -1 0 320.392 -0.293 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)CCSCC(=O)[O-])C1 ZINC001599754875 1017623510 /nfs/dbraw/zinc/62/35/10/1017623510.db2.gz MHHIBUWZMDUXOM-VIFPVBQESA-N -1 0 324.424 -0.408 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001599754574 1017623539 /nfs/dbraw/zinc/62/35/39/1017623539.db2.gz CTNMFLBGULSRRA-AEJSXWLSSA-N -1 0 320.367 -0.984 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001599757770 1017624201 /nfs/dbraw/zinc/62/42/01/1017624201.db2.gz XUFDYPNKOAHECB-UHFFFAOYSA-N -1 0 319.383 -0.427 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)CCc2ocnc2C(=O)[O-])C1 ZINC001599758440 1017624247 /nfs/dbraw/zinc/62/42/47/1017624247.db2.gz NUNBMAOQQARDCR-UHFFFAOYSA-N -1 0 317.323 -0.935 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001599758328 1017624530 /nfs/dbraw/zinc/62/45/30/1017624530.db2.gz MHNBCEUJJNVXBZ-MMWGEVLESA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001599758122 1017624766 /nfs/dbraw/zinc/62/47/66/1017624766.db2.gz JFZBBDCIDGZVIZ-UHFFFAOYSA-N -1 0 314.323 -0.455 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccoc2CC(=O)[O-])C1 ZINC001599757135 1017625058 /nfs/dbraw/zinc/62/50/58/1017625058.db2.gz CFHFOSBQNFLXBN-QMMMGPOBSA-N -1 0 316.335 -0.330 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)N2CCC[C@@H]2CC(=O)[O-])C1 ZINC001599757241 1017625067 /nfs/dbraw/zinc/62/50/67/1017625067.db2.gz LNZXTOXRWULLKS-UDNWOFFPSA-N -1 0 319.383 -0.285 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])no2)C1 ZINC001599758567 1017625265 /nfs/dbraw/zinc/62/52/65/1017625265.db2.gz XZJOFHFFWXYSFV-SSDOTTSWSA-N -1 0 317.323 -0.473 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001599757412 1017625582 /nfs/dbraw/zinc/62/55/82/1017625582.db2.gz QFKGHHJKOWGSGP-AFPNSQJFSA-N -1 0 305.356 -0.817 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@H]1CCC=CO1)C(=O)[O-] ZINC001599762189 1017626536 /nfs/dbraw/zinc/62/65/36/1017626536.db2.gz GBMBULRFUPSIAM-VDDIYKPWSA-N -1 0 303.336 -0.317 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)COC1CCCC1)C(=O)[O-] ZINC001599763472 1017626915 /nfs/dbraw/zinc/62/69/15/1017626915.db2.gz XMWICJUSDJKUCX-GXFFZTMASA-N -1 0 319.379 -0.050 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)N2CC[C@H]2C(=O)[O-])o1 ZINC001599761113 1017627080 /nfs/dbraw/zinc/62/70/80/1017627080.db2.gz IXSQUTBSIKWUDN-QMMMGPOBSA-N -1 0 302.308 -0.372 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C[C@@H]1CCCOC1)C(=O)[O-] ZINC001599763507 1017627270 /nfs/dbraw/zinc/62/72/70/1017627270.db2.gz YNFBRFISIYNDOS-OUJBWJOFSA-N -1 0 319.379 -0.193 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001599761621 1017627618 /nfs/dbraw/zinc/62/76/18/1017627618.db2.gz UQQNICSVGLMECY-UHFFFAOYSA-N -1 0 316.339 -0.159 20 0 DBADRM CS(=O)(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC001599760721 1017627795 /nfs/dbraw/zinc/62/77/95/1017627795.db2.gz RXHOYOQLXAWACH-UHFFFAOYSA-N -1 0 308.337 -0.579 20 0 DBADRM CS(=O)(=O)c1ccnc(N2CCC(O)(C(=O)[O-])CC2)n1 ZINC001599773396 1017629308 /nfs/dbraw/zinc/62/93/08/1017629308.db2.gz ANXAZWJFWGHBIJ-UHFFFAOYSA-N -1 0 301.324 -0.704 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)o1 ZINC001599768014 1017629413 /nfs/dbraw/zinc/62/94/13/1017629413.db2.gz FBCFUAZSSWPBKX-GFCCVEGCSA-N -1 0 317.319 -0.096 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)o1 ZINC001599767680 1017629419 /nfs/dbraw/zinc/62/94/19/1017629419.db2.gz WPXRTJCOYVNBIO-JGVFFNPUSA-N -1 0 317.319 -0.409 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)NCCOCC(=O)[O-])nc1 ZINC001599771113 1017629919 /nfs/dbraw/zinc/62/99/19/1017629919.db2.gz VFYJZZYBSZAULW-UHFFFAOYSA-N -1 0 317.323 -0.292 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1ccnc(F)c1)C(=O)[O-] ZINC001599764792 1017630029 /nfs/dbraw/zinc/63/00/29/1017630029.db2.gz QLBSQFLSFCCTQK-QPUJVOFHSA-N -1 0 316.310 -0.162 20 0 DBADRM CS(C)(=O)=NC(=O)CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599779170 1017631087 /nfs/dbraw/zinc/63/10/87/1017631087.db2.gz GWJNBMNHQGAKAF-QMMMGPOBSA-N -1 0 315.355 -0.523 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001599775996 1017631154 /nfs/dbraw/zinc/63/11/54/1017631154.db2.gz DEOCXMAEYRPCDO-CWKPULSASA-N -1 0 318.395 -0.416 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001599781923 1017631244 /nfs/dbraw/zinc/63/12/44/1017631244.db2.gz YMDBEVSRGWAVAK-ZCFIWIBFSA-N -1 0 302.399 -0.539 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001599777642 1017631451 /nfs/dbraw/zinc/63/14/51/1017631451.db2.gz XLCVJADTQDASOU-JLTPVHFHSA-N -1 0 316.379 -0.806 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)CCNc1ncc(C(=O)[O-])cn1 ZINC001599781884 1017632341 /nfs/dbraw/zinc/63/23/41/1017632341.db2.gz XDZMYYVULUQULQ-UHFFFAOYSA-N -1 0 322.368 -0.356 20 0 DBADRM CS[C@@H](C)CNC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599786038 1017632562 /nfs/dbraw/zinc/63/25/62/1017632562.db2.gz ZBFZRCGLZGJHQT-CIUDSAMLSA-N -1 0 304.368 -0.445 20 0 DBADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CN1CCNC(=O)C1 ZINC001599831700 1017633749 /nfs/dbraw/zinc/63/37/49/1017633749.db2.gz NODRXLNMDDXFTK-LBPRGKRZSA-N -1 0 319.361 -0.080 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001599831333 1017634406 /nfs/dbraw/zinc/63/44/06/1017634406.db2.gz CTYXLICWJWCWLG-VIFPVBQESA-N -1 0 306.322 -0.437 20 0 DBADRM CSC[C@H](C)NC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599792945 1017634699 /nfs/dbraw/zinc/63/46/99/1017634699.db2.gz ROMDBPYBZPZHBZ-WCBMZHEXSA-N -1 0 318.395 -0.462 20 0 DBADRM CSCCCn1nnnc1N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001599800137 1017634741 /nfs/dbraw/zinc/63/47/41/1017634741.db2.gz OIJVWTROTVFHHE-DTWKUNHWSA-N -1 0 301.372 -0.302 20 0 DBADRM CSCc1nc(CNC(=O)Cn2cc(C(=O)[O-])cn2)n[nH]1 ZINC001599805694 1017634884 /nfs/dbraw/zinc/63/48/84/1017634884.db2.gz RQNLFJHIZXXSIX-UHFFFAOYSA-N -1 0 310.339 -0.121 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1COCCO1 ZINC001599836441 1017636150 /nfs/dbraw/zinc/63/61/50/1017636150.db2.gz LJLLNYLEUWWESK-WCBMZHEXSA-N -1 0 310.310 -0.493 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)C[C@H]1COC(=O)C1 ZINC001599836738 1017636376 /nfs/dbraw/zinc/63/63/76/1017636376.db2.gz MTZDTPQZTLULQP-DTWKUNHWSA-N -1 0 322.321 -0.534 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1cc[n+]([O-])cc1 ZINC001599836780 1017636508 /nfs/dbraw/zinc/63/65/08/1017636508.db2.gz SUTWAWZDDAWHGB-VIFPVBQESA-N -1 0 317.305 -0.540 20 0 DBADRM C[C@@H](CCNC(=O)Cn1cncn1)Nc1ncc(C(=O)[O-])cn1 ZINC001599835436 1017636593 /nfs/dbraw/zinc/63/65/93/1017636593.db2.gz LTELSRBHVMRONR-VIFPVBQESA-N -1 0 319.325 -0.227 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@]1(F)CCOC1 ZINC001599837024 1017636859 /nfs/dbraw/zinc/63/68/59/1017636859.db2.gz VKVBUAWJKYSKQZ-ISVAXAHUSA-N -1 0 312.301 -0.358 20 0 DBADRM C[C@@H](CO)N(C)C(=O)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001599836601 1017637280 /nfs/dbraw/zinc/63/72/80/1017637280.db2.gz OPXXMSDBRGRREW-JTQLQIEISA-N -1 0 308.334 -0.231 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)CCn1cncn1 ZINC001599836803 1017637305 /nfs/dbraw/zinc/63/73/05/1017637305.db2.gz UKXFLZJSTSVMOL-VIFPVBQESA-N -1 0 319.325 -0.805 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)CCc1c[nH]cn1 ZINC001599836457 1017637347 /nfs/dbraw/zinc/63/73/47/1017637347.db2.gz APJQQODVXYMLFT-VIFPVBQESA-N -1 0 318.337 -0.131 20 0 DBADRM C[C@@H](NC(=O)N1CCSC[C@@H](C(=O)[O-])C1)C(=O)N(C)C ZINC001599838271 1017637373 /nfs/dbraw/zinc/63/73/73/1017637373.db2.gz BIFXSHPISGUHJS-BDAKNGLRSA-N -1 0 303.384 -0.078 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)C(=O)[O-] ZINC001599844910 1017639089 /nfs/dbraw/zinc/63/90/89/1017639089.db2.gz YJSXEVQXPBPGEL-VQVTYTSYSA-N -1 0 312.244 -0.510 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cn(Cc2ccccn2)nn1)C(=O)[O-] ZINC001599846042 1017639095 /nfs/dbraw/zinc/63/90/95/1017639095.db2.gz QHSNJHBQOFUZSW-KCJUWKMLSA-N -1 0 305.294 -0.715 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC001599846712 1017639248 /nfs/dbraw/zinc/63/92/48/1017639248.db2.gz XBOBMTWRWVRIQD-HLTSFMKQSA-N -1 0 319.335 -0.962 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F)C(=O)[O-] ZINC001599844676 1017639288 /nfs/dbraw/zinc/63/92/88/1017639288.db2.gz UBOVZPYUUNIJHW-FUYZFFOTSA-N -1 0 312.244 -0.749 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H](O)C(=O)[O-] ZINC001599843574 1017639389 /nfs/dbraw/zinc/63/93/89/1017639389.db2.gz KKDHFOYHYCFBSR-VGMNWLOBSA-N -1 0 320.342 -0.788 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@H]1CCN(Cc2ccccc2)C1=O)C(=O)[O-] ZINC001599844687 1017639652 /nfs/dbraw/zinc/63/96/52/1017639652.db2.gz UGEPWLMWGWSVHB-RTXFEEFZSA-N -1 0 320.345 -0.015 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(F)CC2)C[C@@H](C(=O)[O-])O1 ZINC001599848773 1017641341 /nfs/dbraw/zinc/64/13/41/1017641341.db2.gz ATLDVFNFKAPXRV-SCZZXKLOSA-N -1 0 302.302 -0.353 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@@H](C(=O)[O-])O1 ZINC001599853572 1017642757 /nfs/dbraw/zinc/64/27/57/1017642757.db2.gz CSAXXFCCWRFWPF-UTLUCORTSA-N -1 0 309.326 -0.674 20 0 DBADRM C[C@@H]1CN(C(=O)CCc2nc(N(C)C)no2)C[C@@H](C(=O)[O-])O1 ZINC001599853331 1017642793 /nfs/dbraw/zinc/64/27/93/1017642793.db2.gz JCLBZYFOVZZRGO-BDAKNGLRSA-N -1 0 312.326 -0.231 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C(=O)[O-] ZINC001599851283 1017642917 /nfs/dbraw/zinc/64/29/17/1017642917.db2.gz QNDCVIKMKCLZME-JFGNBEQYSA-N -1 0 309.366 -0.482 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)C[C@@H](C(=O)[O-])O1 ZINC001599850389 1017643226 /nfs/dbraw/zinc/64/32/26/1017643226.db2.gz AZLFSGKXVAZFSN-ROHXPCBUSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@H]1CC(=O)[O-] ZINC001599853877 1017643651 /nfs/dbraw/zinc/64/36/51/1017643651.db2.gz UBYRBAVYGYODPY-GHMZBOCLSA-N -1 0 318.395 -0.714 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCS1 ZINC001599851018 1017643981 /nfs/dbraw/zinc/64/39/81/1017643981.db2.gz WKLYCHLCNONUJE-ZJUUUORDSA-N -1 0 316.379 -0.348 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@@H](C(=O)[O-])O1 ZINC001599856192 1017645155 /nfs/dbraw/zinc/64/51/55/1017645155.db2.gz WNJPELSRZXFQRC-ZJUUUORDSA-N -1 0 324.337 -0.918 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2COCCN2C)C[C@@H](C(=O)[O-])O1 ZINC001599860688 1017645483 /nfs/dbraw/zinc/64/54/83/1017645483.db2.gz QOAOFKZZWKHROY-VWYCJHECSA-N -1 0 301.343 -0.800 20 0 DBADRM C[C@@H]1CN(C(=O)NC2CN(c3ccncn3)C2)C[C@@H](C(=O)[O-])O1 ZINC001599857470 1017645571 /nfs/dbraw/zinc/64/55/71/1017645571.db2.gz MYDTYGSIMBCCPM-KOLCDFICSA-N -1 0 321.337 -0.451 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2COCCN2C)C[C@@H](C(=O)[O-])O1 ZINC001599860685 1017645687 /nfs/dbraw/zinc/64/56/87/1017645687.db2.gz QOAOFKZZWKHROY-MXWKQRLJSA-N -1 0 301.343 -0.800 20 0 DBADRM COC[C@H](OC)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001498148256 1017645605 /nfs/dbraw/zinc/64/56/05/1017645605.db2.gz YAVOZEIZPHJVPV-VIFPVBQESA-N -1 0 312.326 -0.974 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCS(C)(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC001599858830 1017645897 /nfs/dbraw/zinc/64/58/97/1017645897.db2.gz UMTNIRMEHHFEGY-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM C[C@@H]1CN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001599855720 1017645905 /nfs/dbraw/zinc/64/59/05/1017645905.db2.gz OZBRADQEYHXOOH-BBBLOLIVSA-N -1 0 320.367 -0.601 20 0 DBADRM C[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)nc2)C[C@@H](C(=O)[O-])O1 ZINC001599859343 1017646291 /nfs/dbraw/zinc/64/62/91/1017646291.db2.gz HJDRNEYCQLICFK-XCBNKYQSSA-N -1 0 308.294 -0.114 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)O[C@H]1C(=O)[O-] ZINC001599872489 1017647563 /nfs/dbraw/zinc/64/75/63/1017647563.db2.gz YSOPCOPDEFLCSK-RRZJSNMYSA-N -1 0 310.350 -0.023 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001599872001 1017647593 /nfs/dbraw/zinc/64/75/93/1017647593.db2.gz UYAXHEAXHRJJLC-ZJDVBMNYSA-N -1 0 302.352 -0.609 20 0 DBADRM C[C@@H]1CN(Cc2nccn2S(=O)(=O)N(C)C)C[C@H]1C(=O)[O-] ZINC001599867419 1017648158 /nfs/dbraw/zinc/64/81/58/1017648158.db2.gz ZEPXRAJQWIMVKL-NXEZZACHSA-N -1 0 316.383 -0.310 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC(O)(c3ccnn3C)C2)O[C@H]1C(=O)[O-] ZINC001599871779 1017648241 /nfs/dbraw/zinc/64/82/41/1017648241.db2.gz DSWPKLHJAHOWHN-FXPVBKGRSA-N -1 0 309.322 -0.672 20 0 DBADRM C[C@@H]1CN(c2nnc([C@H]3CC(=O)N(C)C3)n2C)C[C@H]1C(=O)[O-] ZINC001599869025 1017648356 /nfs/dbraw/zinc/64/83/56/1017648356.db2.gz AACZATQGGRNFSK-KXUCPTDWSA-N -1 0 307.354 -0.082 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)O[C@H]1C(=O)[O-] ZINC001599872485 1017648601 /nfs/dbraw/zinc/64/86/01/1017648601.db2.gz YSOPCOPDEFLCSK-HRSIUBJKSA-N -1 0 310.350 -0.023 20 0 DBADRM C[C@@H]1CN(c2nnc(-c3ncccn3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599870245 1017648719 /nfs/dbraw/zinc/64/87/19/1017648719.db2.gz YIHZSRDYJHSQNY-BDAKNGLRSA-N -1 0 304.310 -0.050 20 0 DBADRM C[C@@H]1CN(c2ccnc(C(=O)[O-])n2)CCN1S(C)(=O)=O ZINC001599869376 1017648752 /nfs/dbraw/zinc/64/87/52/1017648752.db2.gz XMPGCULGSSJVDC-MRVPVSSYSA-N -1 0 300.340 -0.355 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H]2CCCOC2)O[C@H]1C(=O)[O-] ZINC001599873777 1017649385 /nfs/dbraw/zinc/64/93/85/1017649385.db2.gz MXQMXLIGULQFKA-YBXAARCKSA-N -1 0 301.339 -0.232 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC[C@@H](N3CCOC3=O)C2)O[C@H]1C(=O)[O-] ZINC001599873669 1017649557 /nfs/dbraw/zinc/64/95/57/1017649557.db2.gz XSQVUUBWANXKGV-GWOFURMSSA-N -1 0 312.322 -0.082 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCC[C@]2(O)CCCOC2)O[C@H]1C(=O)[O-] ZINC001599874667 1017649774 /nfs/dbraw/zinc/64/97/74/1017649774.db2.gz GWFIZDWFPNKFJU-ZHSDAYTOSA-N -1 0 301.339 -0.088 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H]2CCCOC2)O[C@H]1C(=O)[O-] ZINC001599873774 1017650055 /nfs/dbraw/zinc/65/00/55/1017650055.db2.gz MXQMXLIGULQFKA-IYKVGLELSA-N -1 0 301.339 -0.232 20 0 DBADRM C[C@@H]1C[C@H](C(=O)Nc2ccn(CCC(N)=O)n2)O[C@H]1C(=O)[O-] ZINC001599876354 1017650423 /nfs/dbraw/zinc/65/04/23/1017650423.db2.gz HPONILQMAVFJJP-SOCHQFKDSA-N -1 0 310.310 -0.425 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)O[C@H]1C(=O)[O-] ZINC001599874800 1017650510 /nfs/dbraw/zinc/65/05/10/1017650510.db2.gz LSOXYWSOLXIZSJ-FPQZTECRSA-N -1 0 322.365 -0.007 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCC(=O)N2CCOCC2)O[C@H]1C(=O)[O-] ZINC001599875287 1017650652 /nfs/dbraw/zinc/65/06/52/1017650652.db2.gz RSESGAKVZSZURO-CKYFFXLPSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001599880935 1017652419 /nfs/dbraw/zinc/65/24/19/1017652419.db2.gz KDCTZRGECFNFLL-KXUCPTDWSA-N -1 0 308.338 -0.516 20 0 DBADRM C[C@H](CC(=O)[O-])OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC001599889380 1017652972 /nfs/dbraw/zinc/65/29/72/1017652972.db2.gz LIAGRYMQBPCOBG-MRVPVSSYSA-N -1 0 314.319 -0.110 20 0 DBADRM C[C@@H]1[C@H](NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCS1(=O)=O ZINC001599882143 1017653098 /nfs/dbraw/zinc/65/30/98/1017653098.db2.gz ONSGNQMWNFVYLK-LMLFDSFASA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@H](Cc1cn(C)nn1)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001599892671 1017654204 /nfs/dbraw/zinc/65/42/04/1017654204.db2.gz XXKUDRDQQUMFJC-SECBINFHSA-N -1 0 319.321 -0.578 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)C(F)(F)C1(O)CCC1)C(=O)[O-] ZINC001599895046 1017654282 /nfs/dbraw/zinc/65/42/82/1017654282.db2.gz DXXHCLBOIAQZJF-BQBZGAKWSA-N -1 0 308.281 -0.369 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1ccnnc1 ZINC001599891611 1017654668 /nfs/dbraw/zinc/65/46/68/1017654668.db2.gz OTFDIPPBIDHDDA-MRVPVSSYSA-N -1 0 302.294 -0.383 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1CCNC1=O ZINC001599891972 1017655277 /nfs/dbraw/zinc/65/52/77/1017655277.db2.gz VXCOAPGROBBVMG-APPZFPTMSA-N -1 0 307.310 -0.773 20 0 DBADRM C[C@H](NC(=O)C(N)=O)C1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001599893323 1017655311 /nfs/dbraw/zinc/65/53/11/1017655311.db2.gz MEORNZZUXSDWQY-QMMMGPOBSA-N -1 0 321.337 -0.619 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC001599895409 1017655486 /nfs/dbraw/zinc/65/54/86/1017655486.db2.gz QNYNHILWTWTEIP-CIUDSAMLSA-N -1 0 320.367 -0.952 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N(C)C[C@H]1CCCO1)C(=O)[O-] ZINC001599897214 1017656648 /nfs/dbraw/zinc/65/66/48/1017656648.db2.gz BIUDWOXDHJTIAV-LPEHRKFASA-N -1 0 301.343 -0.215 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@@H](CCCO)C1)C(=O)[O-] ZINC001599898182 1017656756 /nfs/dbraw/zinc/65/67/56/1017656756.db2.gz STZRXXSZGLWSGZ-GARJFASQSA-N -1 0 315.370 -0.232 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCC1(O)CCCC1)C(=O)[O-] ZINC001599897217 1017656986 /nfs/dbraw/zinc/65/69/86/1017656986.db2.gz WUHAOVVHEMVFKY-IUCAKERBSA-N -1 0 301.343 -0.432 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCC1([S@](C)=O)CC1)C(=O)[O-] ZINC001599897029 1017657252 /nfs/dbraw/zinc/65/72/52/1017657252.db2.gz SRNXROVNTUWZBB-KLBQYZOKSA-N -1 0 319.383 -0.826 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC(F)(F)C[C@@H]1CO)C(=O)[O-] ZINC001599897985 1017657318 /nfs/dbraw/zinc/65/73/18/1017657318.db2.gz QXOLLZLWKXZJJK-BIIVOSGPSA-N -1 0 323.296 -0.624 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCCC[C@H]1CCO)C(=O)[O-] ZINC001599897748 1017657322 /nfs/dbraw/zinc/65/73/22/1017657322.db2.gz LYPSTNJYTAIHLN-DCAQKATOSA-N -1 0 315.370 -0.089 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cnc2[nH]cnc2c1)C(=O)[O-] ZINC001599899037 1017658288 /nfs/dbraw/zinc/65/82/88/1017658288.db2.gz PWYZJDRTOIECPW-BQBZGAKWSA-N -1 0 305.294 -0.335 20 0 DBADRM C[C@H](NC(N)=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001599900936 1017659058 /nfs/dbraw/zinc/65/90/58/1017659058.db2.gz CAKAYVPQTCABOD-QMMMGPOBSA-N -1 0 322.321 -0.575 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1c[nH]cc(Cl)c1=O)C(=O)[O-] ZINC001599899568 1017659226 /nfs/dbraw/zinc/65/92/26/1017659226.db2.gz ZYIXLZSMGZOQDX-WDSKDSINSA-N -1 0 315.713 -0.264 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)CCOC(C)(C)C)C(=O)[O-] ZINC001599900514 1017659430 /nfs/dbraw/zinc/65/94/30/1017659430.db2.gz VNSNRNITZNJDQX-IUCAKERBSA-N -1 0 324.399 -0.301 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1csc(CO)n1)C(=O)[O-] ZINC001599899304 1017659691 /nfs/dbraw/zinc/65/96/91/1017659691.db2.gz VAWJMNYELMDIOP-WDSKDSINSA-N -1 0 301.324 -0.657 20 0 DBADRM C[C@H]1CC[C@@](NC(=O)Cn2cnc(C(N)=O)n2)(C(=O)[O-])CC1 ZINC001599907196 1017659696 /nfs/dbraw/zinc/65/96/96/1017659696.db2.gz MGBWKFDYCHYTDH-XCSCGOTBSA-N -1 0 309.326 -0.473 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CCCCO)C[C@]1(C)C(=O)[O-] ZINC001599909472 1017660475 /nfs/dbraw/zinc/66/04/75/1017660475.db2.gz SVKJTEWHGJMSOJ-HZMBPMFUSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599909612 1017660684 /nfs/dbraw/zinc/66/06/84/1017660684.db2.gz VARAIIUYTANSHN-DCAQKATOSA-N -1 0 314.338 -0.818 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2CCO)CC[C@H]1C(=O)[O-] ZINC001599909850 1017661541 /nfs/dbraw/zinc/66/15/41/1017661541.db2.gz AAAPDQQQEANXSZ-SDDRHHMPSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCn2cccn2)C[C@]1(C)C(=O)[O-] ZINC001599912220 1017663099 /nfs/dbraw/zinc/66/30/99/1017663099.db2.gz RUCLBFWCXSYJTF-HZMBPMFUSA-N -1 0 308.338 -0.432 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001599911218 1017663406 /nfs/dbraw/zinc/66/34/06/1017663406.db2.gz VXHWVRNDANWQQE-DCAQKATOSA-N -1 0 314.338 -0.628 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(N)nc2)C[C@@H](C(=O)[O-])O1 ZINC001599914207 1017663468 /nfs/dbraw/zinc/66/34/68/1017663468.db2.gz XBLPPKGUKRTTFM-CBAPKCEASA-N -1 0 308.294 -0.697 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@@H]2COCCO2)C[C@]1(C)C(=O)[O-] ZINC001599913553 1017663478 /nfs/dbraw/zinc/66/34/78/1017663478.db2.gz RJQLPGYYGRBXAN-RBZYPMLTSA-N -1 0 314.338 -0.913 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2ccn(C)c2)C[C@@H](C(=O)[O-])O1 ZINC001599911397 1017663556 /nfs/dbraw/zinc/66/35/56/1017663556.db2.gz DTKMYKSKFWKINT-ONGXEEELSA-N -1 0 309.322 -0.658 20 0 DBADRM C[C@H]1CN(C(=O)CC2SC(=N)NC2=O)C[C@@H](C(=O)[O-])O1 ZINC001599916251 1017663687 /nfs/dbraw/zinc/66/36/87/1017663687.db2.gz UCKKKKWHIAJXGT-LYFYHCNISA-N -1 0 301.324 -0.757 20 0 DBADRM C[C@H]1CN(C(=O)[C@]23CCC(=O)N2CCS3)C[C@@H](C(=O)[O-])O1 ZINC001599914706 1017664041 /nfs/dbraw/zinc/66/40/41/1017664041.db2.gz RZRNAAMENPSYIJ-MWODSPESSA-N -1 0 314.363 -0.248 20 0 DBADRM C[C@H]1CN(C(=O)NCCC2CS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001599919704 1017664840 /nfs/dbraw/zinc/66/48/40/1017664840.db2.gz CXHUGLNDBHLTEZ-WPRPVWTQSA-N -1 0 320.367 -0.695 20 0 DBADRM C[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@]1(C)C(=O)[O-] ZINC001599918376 1017665098 /nfs/dbraw/zinc/66/50/98/1017665098.db2.gz FHFAKHLYSOQRHR-XPTSAGLGSA-N -1 0 309.322 -0.884 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])on2)CCN1S(C)(=O)=O ZINC001599924130 1017665832 /nfs/dbraw/zinc/66/58/32/1017665832.db2.gz WXLSGDRJBGABIQ-ZETCQYMHSA-N -1 0 317.323 -0.521 20 0 DBADRM C[C@H]1CN(C(=O)NCc2nc(N(C)C)no2)C[C@@H](C(=O)[O-])O1 ZINC001599921864 1017666324 /nfs/dbraw/zinc/66/63/24/1017666324.db2.gz XYNDMGMTXXUTCG-YUMQZZPRSA-N -1 0 313.314 -0.481 20 0 DBADRM C[C@H]1CN(C(=O)Cn2nnc3c2CCCC3)C[C@@H](C(=O)[O-])O1 ZINC001599917683 1017666329 /nfs/dbraw/zinc/66/63/29/1017666329.db2.gz VSHWSUCUEBKFAV-CABZTGNLSA-N -1 0 308.338 -0.143 20 0 DBADRM C[C@H]1CN(C(=O)NCc2ccnc(N(C)C)n2)C[C@@H](C(=O)[O-])O1 ZINC001599921744 1017666406 /nfs/dbraw/zinc/66/64/06/1017666406.db2.gz NKEPGGNOPNXMQW-ONGXEEELSA-N -1 0 323.353 -0.074 20 0 DBADRM C[C@H]1CN(C(=O)NCc2cnc3n2CCOC3)C[C@@H](C(=O)[O-])O1 ZINC001599921798 1017666495 /nfs/dbraw/zinc/66/64/95/1017666495.db2.gz RTEFKHCIZHXJEJ-ONGXEEELSA-N -1 0 324.337 -0.203 20 0 DBADRM C[C@H]1CN(c2nnnn2CC2=CCCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599932785 1017668698 /nfs/dbraw/zinc/66/86/98/1017668698.db2.gz DAHKEJJBZJRXSE-ONGXEEELSA-N -1 0 309.326 -0.302 20 0 DBADRM C[C@H]1CN(CC(=O)N2CCOC(C)(C)C2)C[C@@H](C(=O)[O-])O1 ZINC001599927777 1017668869 /nfs/dbraw/zinc/66/88/69/1017668869.db2.gz HBSWYYRJGNDGBV-QWRGUYRKSA-N -1 0 300.355 -0.202 20 0 DBADRM C[C@H]1CN(CC(=O)N=[S@@](C)(=O)N(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599928248 1017669043 /nfs/dbraw/zinc/66/90/43/1017669043.db2.gz ZPAVCYDCJNGECC-MMXNHZJYSA-N -1 0 307.372 -0.739 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001599966532 1017670441 /nfs/dbraw/zinc/67/04/41/1017670441.db2.gz BPJRJUAVSCHQLJ-CQSZACIVSA-N -1 0 322.296 -0.101 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599940325 1017670557 /nfs/dbraw/zinc/67/05/57/1017670557.db2.gz GGZSTHPQCJWDDB-IUCAKERBSA-N -1 0 322.321 -0.573 20 0 DBADRM Cc1[nH]nc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)c1C ZINC001599967372 1017671197 /nfs/dbraw/zinc/67/11/97/1017671197.db2.gz MBRBVYXBJIGCDP-UHFFFAOYSA-N -1 0 315.351 -0.212 20 0 DBADRM Cc1nc[nH]c1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001599967560 1017671393 /nfs/dbraw/zinc/67/13/93/1017671393.db2.gz JKFCAOUQIWAERU-ZJUUUORDSA-N -1 0 306.322 -0.277 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(CCO)CCOCCO ZINC001599956296 1017671645 /nfs/dbraw/zinc/67/16/45/1017671645.db2.gz RDWLMBGSAGQNGL-UHFFFAOYSA-N -1 0 314.338 -0.227 20 0 DBADRM Cc1nc[nH]c1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C[C@H]21 ZINC001599967495 1017671765 /nfs/dbraw/zinc/67/17/65/1017671765.db2.gz GTZBXBREPBPUEV-OFKSJOQMSA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)NCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001599940372 1017671913 /nfs/dbraw/zinc/67/19/13/1017671913.db2.gz IKMPSXZVTICKEA-UHFFFAOYSA-N -1 0 320.309 -0.222 20 0 DBADRM Cc1[nH]c(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])c(C)c1C=O ZINC001599952794 1017672146 /nfs/dbraw/zinc/67/21/46/1017672146.db2.gz NAXWYAOQURMTOR-SNVBAGLBSA-N -1 0 305.294 -0.081 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCC(=O)N1CCN(C)CC1 ZINC001599955868 1017672531 /nfs/dbraw/zinc/67/25/31/1017672531.db2.gz RADPJEHJURYRRQ-UHFFFAOYSA-N -1 0 322.365 -0.166 20 0 DBADRM Cc1c(C(=O)NCC2(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)nnn1C ZINC001599980203 1017673283 /nfs/dbraw/zinc/67/32/83/1017673283.db2.gz PCBAYBSHBBTYCJ-IUCAKERBSA-N -1 0 321.337 -0.777 20 0 DBADRM Cc1c(C(=O)NCCOCC(=O)[O-])nnn1Cc1ccncc1 ZINC001599980408 1017673542 /nfs/dbraw/zinc/67/35/42/1017673542.db2.gz LKWSSCZSPBCDBZ-UHFFFAOYSA-N -1 0 319.321 -0.139 20 0 DBADRM Cc1c(C(=O)N2CC(C(=O)[O-])C2)cnn1-c1ccc(=O)[nH]n1 ZINC001599975938 1017673839 /nfs/dbraw/zinc/67/38/39/1017673839.db2.gz ZFLQYWVOOLWTOK-UHFFFAOYSA-N -1 0 303.278 -0.167 20 0 DBADRM Cc1c(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nnn1C ZINC001599980205 1017674332 /nfs/dbraw/zinc/67/43/32/1017674332.db2.gz PCBAYBSHBBTYCJ-RKDXNWHRSA-N -1 0 321.337 -0.777 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001599969932 1017674419 /nfs/dbraw/zinc/67/44/19/1017674419.db2.gz ZDGQFLLKCDLMRR-SECBINFHSA-N -1 0 316.383 -0.112 20 0 DBADRM Cc1c(C(=O)NCCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])nnn1C ZINC001599980911 1017676090 /nfs/dbraw/zinc/67/60/90/1017676090.db2.gz ZIWFVPBFOUNMKA-UWVGGRQHSA-N -1 0 323.353 -0.577 20 0 DBADRM Cc1c(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)nnn1C ZINC001600006129 1017676234 /nfs/dbraw/zinc/67/62/34/1017676234.db2.gz AQXXFDKPQAXXFY-UHFFFAOYSA-N -1 0 310.310 -0.396 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)c2nccnc2C(N)=O)n1C ZINC001599995325 1017676748 /nfs/dbraw/zinc/67/67/48/1017676748.db2.gz MXTHFRQKUWSLSP-UHFFFAOYSA-N -1 0 317.305 -0.149 20 0 DBADRM Cc1c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cnn1C ZINC001599983184 1017676923 /nfs/dbraw/zinc/67/69/23/1017676923.db2.gz DJWHWQTVKBILRQ-LMLFDSFASA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)C(=O)N[C@@H]2CCOC2)n1C ZINC001599986928 1017677025 /nfs/dbraw/zinc/67/70/25/1017677025.db2.gz FAPXEPYCGSWHRB-SECBINFHSA-N -1 0 309.322 -0.447 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cnn1C ZINC001600010552 1017677993 /nfs/dbraw/zinc/67/79/93/1017677993.db2.gz PYMMTHCEKUHSNO-MWLCHTKSSA-N -1 0 308.338 -0.334 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nnn1C ZINC001600025379 1017678068 /nfs/dbraw/zinc/67/80/68/1017678068.db2.gz SEWFGJKHDCIPNM-VHSXEESVSA-N -1 0 321.337 -0.369 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC(=O)N[C@@H](C)C2)cccc1C(=O)[O-] ZINC001600025067 1017678302 /nfs/dbraw/zinc/67/83/02/1017678302.db2.gz RHLGYSCVMFRFJX-QMMMGPOBSA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1c(CC(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cnn1C ZINC001600010023 1017678346 /nfs/dbraw/zinc/67/83/46/1017678346.db2.gz VUXWMUZKBJNSAF-NWDGAFQWSA-N -1 0 320.349 -0.681 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)cccc1C(=O)[O-] ZINC001600025834 1017678909 /nfs/dbraw/zinc/67/89/09/1017678909.db2.gz YKNIZOKOHCQPQL-VIFPVBQESA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@H](CO)C2CC2)cnn1CC(=O)[O-] ZINC001600028957 1017679758 /nfs/dbraw/zinc/67/97/58/1017679758.db2.gz VNSJIBQQOKURMP-SNVBAGLBSA-N -1 0 310.310 -0.898 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@H]2CCO[C@H](C)C2)cnn1CC(=O)[O-] ZINC001600028067 1017680052 /nfs/dbraw/zinc/68/00/52/1017680052.db2.gz LMBSVKALFHAVTR-SCZZXKLOSA-N -1 0 324.337 -0.102 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCn2cccc2)cnn1CC(=O)[O-] ZINC001600028571 1017680185 /nfs/dbraw/zinc/68/01/85/1017680185.db2.gz HLCLMFCHBBTKKJ-UHFFFAOYSA-N -1 0 319.321 -0.167 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@H]2CCO[C@@H](C)C2)cnn1CC(=O)[O-] ZINC001600028069 1017680486 /nfs/dbraw/zinc/68/04/86/1017680486.db2.gz LMBSVKALFHAVTR-WPRPVWTQSA-N -1 0 324.337 -0.102 20 0 DBADRM Cc1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cnn1 ZINC001600079873 1017681939 /nfs/dbraw/zinc/68/19/39/1017681939.db2.gz CASZYSIRMCDJGA-NEPJUHHUSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCC(C)(C)C(=O)[O-] ZINC001600066879 1017682086 /nfs/dbraw/zinc/68/20/86/1017682086.db2.gz SHOQJDWGONXQMQ-UHFFFAOYSA-N -1 0 309.322 -0.141 20 0 DBADRM Cc1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cnn1 ZINC001600079876 1017682228 /nfs/dbraw/zinc/68/22/28/1017682228.db2.gz CASZYSIRMCDJGA-VXGBXAGGSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1c[nH]c(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600060471 1017682246 /nfs/dbraw/zinc/68/22/46/1017682246.db2.gz KDFZXURHUIOMHV-UWVGGRQHSA-N -1 0 306.322 -0.278 20 0 DBADRM Cc1cc(=O)n2[nH]c(NC(=O)CCSCC(=O)[O-])nc2n1 ZINC001600066232 1017682579 /nfs/dbraw/zinc/68/25/79/1017682579.db2.gz YWUSNGOUMHQIJT-UHFFFAOYSA-N -1 0 311.323 -0.128 20 0 DBADRM Cc1cc(C(=O)NC[C@H](C)Nc2ccnc(C(=O)[O-])n2)ncn1 ZINC001600092775 1017683529 /nfs/dbraw/zinc/68/35/29/1017683529.db2.gz ZYBVGXHRVYUZFY-VIFPVBQESA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n(C)n1 ZINC001600093675 1017683705 /nfs/dbraw/zinc/68/37/05/1017683705.db2.gz OCPOCVOAKKYTBJ-QWRGUYRKSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1cc(C(=O)N2CC(O)(C(=O)[O-])C2)nn1C1CCOCC1 ZINC001600080759 1017683883 /nfs/dbraw/zinc/68/38/83/1017683883.db2.gz LOLAHUKEYRTMKB-UHFFFAOYSA-N -1 0 309.322 -0.185 20 0 DBADRM Cc1cc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)oc1C(=O)[O-] ZINC001600092997 1017684033 /nfs/dbraw/zinc/68/40/33/1017684033.db2.gz BWIZNWFOSLUUAY-LBPRGKRZSA-N -1 0 317.319 -0.434 20 0 DBADRM Cc1cc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)[nH]n1 ZINC001600089911 1017684108 /nfs/dbraw/zinc/68/41/08/1017684108.db2.gz MCBOCQPBOUTACH-UHFFFAOYSA-N -1 0 301.324 -0.520 20 0 DBADRM Cc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)ncc1C(N)=O ZINC001600083670 1017684275 /nfs/dbraw/zinc/68/42/75/1017684275.db2.gz HSBMNMVELVRDCK-VIFPVBQESA-N -1 0 307.306 -0.195 20 0 DBADRM Cc1cc(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)ncc1C(N)=O ZINC001600092243 1017684321 /nfs/dbraw/zinc/68/43/21/1017684321.db2.gz PGGXGXVIGAXAQU-ONGXEEELSA-N -1 0 321.333 -0.044 20 0 DBADRM Cc1cc(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)[nH]n1 ZINC001600092756 1017684533 /nfs/dbraw/zinc/68/45/33/1017684533.db2.gz ZMPWUKDIEBTMDN-UHFFFAOYSA-N -1 0 304.310 -0.140 20 0 DBADRM Cc1cc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)ncn1 ZINC001600081521 1017684549 /nfs/dbraw/zinc/68/45/49/1017684549.db2.gz XESXPQWYBHERFD-WDEREUQCSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c1F ZINC001600117025 1017685010 /nfs/dbraw/zinc/68/50/10/1017685010.db2.gz ZVTXJOBAMIZNHJ-RKDXNWHRSA-N -1 0 319.310 -0.130 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)ncn1 ZINC001600097214 1017685059 /nfs/dbraw/zinc/68/50/59/1017685059.db2.gz YQCFEQFPXGUBET-ZRUFSTJUSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[C@H]4C(=O)[O-])C[C@H]32)[nH]n1 ZINC001600098625 1017685068 /nfs/dbraw/zinc/68/50/68/1017685068.db2.gz CXOLQFIJXJVYPN-KUNJHIDRSA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1cc(C(=O)[O-])cc(C(=O)NCCN2C(=O)CNC2=O)c1 ZINC001600109212 1017685385 /nfs/dbraw/zinc/68/53/85/1017685385.db2.gz LIEYFYDHFQBYOW-UHFFFAOYSA-N -1 0 305.290 -0.025 20 0 DBADRM Cc1cc(C(=O)N[C@H](C)CNc2ccnc(C(=O)[O-])n2)n(C)n1 ZINC001600097416 1017685607 /nfs/dbraw/zinc/68/56/07/1017685607.db2.gz JCAAUAAXFMBGLE-SECBINFHSA-N -1 0 318.337 -0.131 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N[C@@H]1CNC(=O)C1 ZINC001600118115 1017685670 /nfs/dbraw/zinc/68/56/70/1017685670.db2.gz WNXSHLKOEPODCE-VIFPVBQESA-N -1 0 305.290 -0.364 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)ncn1 ZINC001600097211 1017686013 /nfs/dbraw/zinc/68/60/13/1017686013.db2.gz YQCFEQFPXGUBET-XWLWVQCSSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](O)[C@@H]3C(=O)[O-])nc2n1 ZINC001600179715 1017687116 /nfs/dbraw/zinc/68/71/16/1017687116.db2.gz LRXVGUZYUYWHPJ-NXEZZACHSA-N -1 0 319.321 -0.209 20 0 DBADRM Cc1cc(C)nc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1 ZINC001600183168 1017687148 /nfs/dbraw/zinc/68/71/48/1017687148.db2.gz URMVJBYIWPPCEH-MNOVXSKESA-N -1 0 321.333 -0.069 20 0 DBADRM Cc1cc(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])on1 ZINC001600187315 1017687249 /nfs/dbraw/zinc/68/72/49/1017687249.db2.gz FYRKIINBXYIYDG-UHFFFAOYSA-N -1 0 311.338 -0.229 20 0 DBADRM Cc1cc(C)n(CC(=O)NCC2(C(=O)[O-])CCOCC2)c(=O)n1 ZINC001600178664 1017687728 /nfs/dbraw/zinc/68/77/28/1017687728.db2.gz BRYWZWOACCODHQ-UHFFFAOYSA-N -1 0 323.349 -0.142 20 0 DBADRM Cc1cc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n[nH]1 ZINC001600187427 1017687757 /nfs/dbraw/zinc/68/77/57/1017687757.db2.gz ZPSGZKXTSJVRCY-FSZOTQKASA-N -1 0 320.349 -0.255 20 0 DBADRM Cc1cc(C)n(CCCNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)n1 ZINC001600180277 1017687958 /nfs/dbraw/zinc/68/79/58/1017687958.db2.gz IVXDFEIZCNPGNP-HAQNSBGRSA-N -1 0 322.365 -0.014 20 0 DBADRM Cc1cc(CNC(=O)c2cn(C)c(=O)n(C)c2=O)oc1C(=O)[O-] ZINC001600202799 1017689179 /nfs/dbraw/zinc/68/91/79/1017689179.db2.gz JROMABZWLDHPAE-UHFFFAOYSA-N -1 0 321.289 -0.386 20 0 DBADRM Cc1cc(CN2CCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)on1 ZINC001600195461 1017689387 /nfs/dbraw/zinc/68/93/87/1017689387.db2.gz MTXGTFPHITURJN-NSHDSACASA-N -1 0 310.354 -0.310 20 0 DBADRM Cc1cc(CS(=O)(=O)N[C@H](CC2OCCO2)C(=O)[O-])on1 ZINC001600215631 1017689563 /nfs/dbraw/zinc/68/95/63/1017689563.db2.gz HTWCIFDQAJKTOH-SECBINFHSA-N -1 0 320.323 -0.381 20 0 DBADRM Cc1cc(COCC(=O)NCCn2cc(C(=O)[O-])nn2)on1 ZINC001600215367 1017689778 /nfs/dbraw/zinc/68/97/78/1017689778.db2.gz URGODINPOLIVNF-UHFFFAOYSA-N -1 0 309.282 -0.394 20 0 DBADRM Cc1cc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n(C)n1 ZINC001600198341 1017690346 /nfs/dbraw/zinc/69/03/46/1017690346.db2.gz NBYNTZHNBVFWNK-LLVKDONJSA-N -1 0 308.338 -0.332 20 0 DBADRM Cc1cc(CNCCN(CCO)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])nn1C ZINC001600205454 1017690458 /nfs/dbraw/zinc/69/04/58/1017690458.db2.gz KHRVOLWRGBUQEL-OLZOCXBDSA-N -1 0 324.381 -0.640 20 0 DBADRM Cc1cc(N2CC[C@@H](N3CC[C@@](O)(C(=O)[O-])C3)C2=O)n(C)n1 ZINC001600237664 1017691433 /nfs/dbraw/zinc/69/14/33/1017691433.db2.gz DJPLCJCQTFTPCE-YGRLFVJLSA-N -1 0 308.338 -0.645 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])n(C)n1 ZINC001600242834 1017691491 /nfs/dbraw/zinc/69/14/91/1017691491.db2.gz FDOVPFBQHAUVTR-WCBMZHEXSA-N -1 0 310.310 -0.896 20 0 DBADRM Cc1cc(N2CC(=O)N(C)[C@@H](C)C2)n2nc(C(=O)[O-])nc2n1 ZINC001600236646 1017691682 /nfs/dbraw/zinc/69/16/82/1017691682.db2.gz CCOYCQBUADBBRM-QMMMGPOBSA-N -1 0 304.310 -0.202 20 0 DBADRM Cc1cc(N2CC[C@@H](N3CCC(O)(C(=O)[O-])CC3)C2=O)n(C)n1 ZINC001600238343 1017692166 /nfs/dbraw/zinc/69/21/66/1017692166.db2.gz RVFDKXBUXQWSHW-LLVKDONJSA-N -1 0 322.365 -0.255 20 0 DBADRM Cc1cc(NC(=O)NCCn2cc(C(=O)[O-])nn2)c(=O)n(C)c1 ZINC001600269669 1017693377 /nfs/dbraw/zinc/69/33/77/1017693377.db2.gz OFQYIDWLSCNFCF-UHFFFAOYSA-N -1 0 320.309 -0.195 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001600284478 1017693510 /nfs/dbraw/zinc/69/35/10/1017693510.db2.gz NVORGSAWAXSEPB-WJONMLJTSA-N -1 0 310.306 -0.653 20 0 DBADRM Cc1cc(=O)[nH]c(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])n1 ZINC001600286515 1017693838 /nfs/dbraw/zinc/69/38/38/1017693838.db2.gz LVWGXXVOPVIBSX-VIFPVBQESA-N -1 0 315.351 -0.436 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001600284900 1017694077 /nfs/dbraw/zinc/69/40/77/1017694077.db2.gz YQQZNJGMKMJYLR-PWSUYJOCSA-N -1 0 324.333 -0.454 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)ccn1 ZINC001600262818 1017694276 /nfs/dbraw/zinc/69/42/76/1017694276.db2.gz NRIFIOIWIMINOA-IUCAKERBSA-N -1 0 313.260 -0.167 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001600284898 1017694672 /nfs/dbraw/zinc/69/46/72/1017694672.db2.gz YQQZNJGMKMJYLR-CMPLNLGQSA-N -1 0 324.333 -0.454 20 0 DBADRM Cc1cc(S(=O)(=O)NCCS(C)(=O)=O)oc1C(=O)[O-] ZINC001600299763 1017695364 /nfs/dbraw/zinc/69/53/64/1017695364.db2.gz IHXXGOKMTDWWJJ-UHFFFAOYSA-N -1 0 311.337 -0.391 20 0 DBADRM Cc1cc(S(=O)(=O)NC[C@H]2COCCN2)ccc1C(=O)[O-] ZINC001600298316 1017695455 /nfs/dbraw/zinc/69/54/55/1017695455.db2.gz AOIOUPFNGZIYGQ-JTQLQIEISA-N -1 0 314.363 -0.040 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCN(C)C(=O)C2)oc1C(=O)[O-] ZINC001600294028 1017695687 /nfs/dbraw/zinc/69/56/87/1017695687.db2.gz XPZMDJYIATZOBH-UHFFFAOYSA-N -1 0 302.308 -0.251 20 0 DBADRM Cc1cc(S(=O)(=O)NC[C@H]2COCCN2C)oc1C(=O)[O-] ZINC001600299569 1017695848 /nfs/dbraw/zinc/69/58/48/1017695848.db2.gz ZVGSRFINVYERFN-VIFPVBQESA-N -1 0 318.351 -0.105 20 0 DBADRM Cc1cc(S(=O)(=O)N(CCO)CCCO)oc1C(=O)[O-] ZINC001600293563 1017696171 /nfs/dbraw/zinc/69/61/71/1017696171.db2.gz RIIGOGAJMSFPBV-UHFFFAOYSA-N -1 0 307.324 -0.348 20 0 DBADRM Cc1cc(S(=O)(=O)N2CC[C@@H](O)[C@@H](CO)C2)oc1C(=O)[O-] ZINC001600294347 1017696192 /nfs/dbraw/zinc/69/61/92/1017696192.db2.gz BWDQTBNMVYNRCH-RKDXNWHRSA-N -1 0 319.335 -0.350 20 0 DBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N[C@H](C)CO ZINC001600289608 1017696254 /nfs/dbraw/zinc/69/62/54/1017696254.db2.gz NOTXLRRNXASABY-SECBINFHSA-N -1 0 310.306 -0.106 20 0 DBADRM Cc1cc(S(=O)(=O)NC2COCCOC2)oc1C(=O)[O-] ZINC001600298608 1017696676 /nfs/dbraw/zinc/69/66/76/1017696676.db2.gz KZLBCSXOQPQDGT-UHFFFAOYSA-N -1 0 305.308 -0.020 20 0 DBADRM Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001600339690 1017697215 /nfs/dbraw/zinc/69/72/15/1017697215.db2.gz UZHNFDFAAPGVMI-MNOVXSKESA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1ccc(C(=O)N(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001600330383 1017697478 /nfs/dbraw/zinc/69/74/78/1017697478.db2.gz JXEXSVGYDSHTED-UWVGGRQHSA-N -1 0 306.322 -0.306 20 0 DBADRM Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001600336373 1017697570 /nfs/dbraw/zinc/69/75/70/1017697570.db2.gz LMPSQYWRVMVFSI-ZJUUUORDSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1ccc([C@@H](NC(=O)Cn2nnc(N)n2)C(=O)[O-])cc1C ZINC001600382281 1017697778 /nfs/dbraw/zinc/69/77/78/1017697778.db2.gz KKGKMWZGPZCJDR-LLVKDONJSA-N -1 0 304.310 -0.186 20 0 DBADRM Cc1ccc(C(=O)N[C@](C)(CO)C(=O)[O-])cc1S(C)(=O)=O ZINC001600338552 1017697900 /nfs/dbraw/zinc/69/79/00/1017697900.db2.gz ZRYACYFEIOQOPC-CYBMUJFWSA-N -1 0 315.347 -0.036 20 0 DBADRM Cc1ccc(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)n1C ZINC001600340388 1017698019 /nfs/dbraw/zinc/69/80/19/1017698019.db2.gz XISIOBWFPNQRDC-GXFFZTMASA-N -1 0 314.363 -0.049 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)o1 ZINC001600416368 1017698106 /nfs/dbraw/zinc/69/81/06/1017698106.db2.gz ZJVBLBXXLXEBED-LLVKDONJSA-N -1 0 310.306 -0.094 20 0 DBADRM Cc1ccc([C@@H](CNC(=O)Cn2ncn(C)c2=O)C(=O)[O-])cc1 ZINC001600376042 1017698115 /nfs/dbraw/zinc/69/81/15/1017698115.db2.gz GIWFIZMJJIOTRZ-GFCCVEGCSA-N -1 0 318.333 -0.125 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)nc1 ZINC001600415157 1017698253 /nfs/dbraw/zinc/69/82/53/1017698253.db2.gz FCCJRWPMKHFBMY-GFCCVEGCSA-N -1 0 321.333 -0.292 20 0 DBADRM Cc1ccc(C(=O)NC[C@]2(CO)COCCN2)cc1C(=O)[O-] ZINC001600338284 1017698310 /nfs/dbraw/zinc/69/83/10/1017698310.db2.gz HOPDWYZAWYQWMG-HNNXBMFYSA-N -1 0 308.334 -0.226 20 0 DBADRM Cc1ccc(CNC(=O)Cn2cc(C(=O)[O-])cn2)c(=O)n1C ZINC001600414584 1017698433 /nfs/dbraw/zinc/69/84/33/1017698433.db2.gz AAHMXGZTVKZIIM-UHFFFAOYSA-N -1 0 304.306 -0.095 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)[C@@H](C)c2nnnn2C)c1[O-] ZINC001498257286 1017699134 /nfs/dbraw/zinc/69/91/34/1017699134.db2.gz BXPNCAAYCYEZNP-CBAPKCEASA-N -1 0 322.373 -0.241 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cn1 ZINC001600477498 1017700111 /nfs/dbraw/zinc/70/01/11/1017700111.db2.gz TUEIMRARUPLMEA-MNOVXSKESA-N -1 0 300.336 -0.011 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)c(C(=O)[O-])c1 ZINC001600439559 1017700133 /nfs/dbraw/zinc/70/01/33/1017700133.db2.gz HCMSKSGKVYKLTB-SECBINFHSA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c(=O)[nH]1 ZINC001600440227 1017700196 /nfs/dbraw/zinc/70/01/96/1017700196.db2.gz PCFWAYJYOQSRAJ-SCZZXKLOSA-N -1 0 323.305 -0.265 20 0 DBADRM Cc1ccc2c(c1)N(C(=O)C(=O)N1CC[C@](O)(C(=O)[O-])C1)CC2 ZINC001600495060 1017700212 /nfs/dbraw/zinc/70/02/12/1017700212.db2.gz IHLSMCHHHKJYAZ-MRXNPFEDSA-N -1 0 318.329 -0.068 20 0 DBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)NC[C@H](O)CC(=O)[O-])C2=O ZINC001600491877 1017700301 /nfs/dbraw/zinc/70/03/01/1017700301.db2.gz ANOCEVNVHSIBGJ-SECBINFHSA-N -1 0 320.301 -0.457 20 0 DBADRM Cc1cccc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])n1 ZINC001600533034 1017701188 /nfs/dbraw/zinc/70/11/88/1017701188.db2.gz HAKVXJOIBYJTER-RYUDHWBXSA-N -1 0 318.333 -0.031 20 0 DBADRM Cc1cccn2c(=O)c(C(=O)NC[C@H](O)CC(=O)[O-])cnc12 ZINC001600588144 1017701286 /nfs/dbraw/zinc/70/12/86/1017701286.db2.gz GEUPRBPLEPYUPJ-SECBINFHSA-N -1 0 305.290 -0.432 20 0 DBADRM Cc1cccc(C)c1CN(C)C(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600520098 1017701554 /nfs/dbraw/zinc/70/15/54/1017701554.db2.gz KGJXTKAZLXDEPE-UHFFFAOYSA-N -1 0 320.345 -0.080 20 0 DBADRM Cc1ccccc1CNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001600581098 1017701610 /nfs/dbraw/zinc/70/16/10/1017701610.db2.gz RDZZVZHSUYGLKF-STQMWFEESA-N -1 0 320.345 -0.095 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001600595555 1017701659 /nfs/dbraw/zinc/70/16/59/1017701659.db2.gz IBNRKWVXMUWWAC-UWVGGRQHSA-N -1 0 309.322 -0.007 20 0 DBADRM Cc1ccn(CC(=O)N(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600595645 1017701778 /nfs/dbraw/zinc/70/17/78/1017701778.db2.gz LIHLYZLAFYLWLK-QWRGUYRKSA-N -1 0 308.338 -0.513 20 0 DBADRM Cc1cccc2c(=O)n(CCC(=O)N[C@H](CO)C(=O)[O-])cnc12 ZINC001600555836 1017702024 /nfs/dbraw/zinc/70/20/24/1017702024.db2.gz RDVZKDNFXDNVEC-LLVKDONJSA-N -1 0 319.317 -0.343 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCC(C)(C)C(=O)[O-] ZINC001600595018 1017702035 /nfs/dbraw/zinc/70/20/35/1017702035.db2.gz ZDQROPBIENKBNB-UHFFFAOYSA-N -1 0 309.322 -0.141 20 0 DBADRM Cc1ccn(CC(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])n1 ZINC001600595721 1017702092 /nfs/dbraw/zinc/70/20/92/1017702092.db2.gz VKSRPPHHTVTGGR-SNVBAGLBSA-N -1 0 315.351 -0.708 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)O[C@@H](C)C(=O)C(=O)[O-] ZINC001600509543 1017702240 /nfs/dbraw/zinc/70/22/40/1017702240.db2.gz BLMCPRMTQQOXML-XPTSAGLGSA-N -1 0 311.290 -0.507 20 0 DBADRM Cc1ccn(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600595842 1017703272 /nfs/dbraw/zinc/70/32/72/1017703272.db2.gz ZHSCMTUWRKTBKU-BJDJZHNGSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)N[C@](C)(CO)C(=O)[O-])c2=O ZINC001600596518 1017703370 /nfs/dbraw/zinc/70/33/70/1017703370.db2.gz HNYVASYJIQHAFH-CQSZACIVSA-N -1 0 305.290 -0.432 20 0 DBADRM Cc1ccn(CC(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)c(=O)c1 ZINC001600595777 1017703571 /nfs/dbraw/zinc/70/35/71/1017703571.db2.gz XAPBQOGANWAMIO-NSHDSACASA-N -1 0 322.317 -0.224 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600611209 1017703604 /nfs/dbraw/zinc/70/36/04/1017703604.db2.gz BLNZIOFXNJYMHD-VLEAKVRGSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1ccnn1CC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600608050 1017703621 /nfs/dbraw/zinc/70/36/21/1017703621.db2.gz VGQGCPUVBLWYBM-NEPJUHHUSA-N -1 0 320.349 -0.419 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(=O)c1 ZINC001600597663 1017703791 /nfs/dbraw/zinc/70/37/91/1017703791.db2.gz FWCDSFXMYGNVCT-JRPNMDOOSA-N -1 0 308.334 -0.113 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600611214 1017704167 /nfs/dbraw/zinc/70/41/67/1017704167.db2.gz BLNZIOFXNJYMHD-YTWAJWBKSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1c[nH]cc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)c1=O ZINC001600626200 1017704573 /nfs/dbraw/zinc/70/45/73/1017704573.db2.gz ZAPXRPIFUSHAEG-JTQLQIEISA-N -1 0 308.290 -0.084 20 0 DBADRM Cc1cnc(COCC(=O)N[C@H](Cn2ccnc2)C(=O)[O-])o1 ZINC001600621537 1017704683 /nfs/dbraw/zinc/70/46/83/1017704683.db2.gz CZHQBEHLWUEXMK-SNVBAGLBSA-N -1 0 308.294 -0.034 20 0 DBADRM Cc1cnc2nc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)nn2c1 ZINC001600627121 1017704907 /nfs/dbraw/zinc/70/49/07/1017704907.db2.gz MPUDTZSVAJTYHM-VIFPVBQESA-N -1 0 305.294 -0.252 20 0 DBADRM Cc1cnc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)s1 ZINC001600623907 1017705201 /nfs/dbraw/zinc/70/52/01/1017705201.db2.gz IPDQSCWJFLUHNS-UHFFFAOYSA-N -1 0 313.335 -0.172 20 0 DBADRM Cc1cnc(COCC(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])o1 ZINC001600621536 1017705417 /nfs/dbraw/zinc/70/54/17/1017705417.db2.gz CZHQBEHLWUEXMK-JTQLQIEISA-N -1 0 308.294 -0.034 20 0 DBADRM Cc1cn2ccc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])cc2n1 ZINC001600615077 1017705678 /nfs/dbraw/zinc/70/56/78/1017705678.db2.gz NQDAKCIRPKNEJB-SNVBAGLBSA-N -1 0 320.305 -0.467 20 0 DBADRM Cc1cn2nc(C(=O)N3C[C@H](C)O[C@H](C(=O)[O-])C3)cc2c(=O)[nH]1 ZINC001600614969 1017705917 /nfs/dbraw/zinc/70/59/17/1017705917.db2.gz NWPXZGUEOYHSLQ-KWQFWETISA-N -1 0 320.305 -0.355 20 0 DBADRM Cc1cnc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)s1 ZINC001600624329 1017706049 /nfs/dbraw/zinc/70/60/49/1017706049.db2.gz RQVMYDILSDXLNJ-SFYZADRCSA-N -1 0 313.335 -0.316 20 0 DBADRM Cc1cncn1CC(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600632054 1017706465 /nfs/dbraw/zinc/70/64/65/1017706465.db2.gz WBRLOJVFSRZCLL-VXGBXAGGSA-N -1 0 322.365 -0.123 20 0 DBADRM Cc1cncc(CC(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001600629317 1017706821 /nfs/dbraw/zinc/70/68/21/1017706821.db2.gz PPESHHAAQDXPDF-OLZOCXBDSA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600635096 1017706983 /nfs/dbraw/zinc/70/69/83/1017706983.db2.gz DRXQOLSHFNBINI-WDEREUQCSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1cnn(C)c1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600635973 1017707268 /nfs/dbraw/zinc/70/72/68/1017707268.db2.gz ZHYUUGWVKQFPCY-ANDSXOESSA-N -1 0 320.349 -0.149 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001600635505 1017707467 /nfs/dbraw/zinc/70/74/67/1017707467.db2.gz MIMCVOKCPXIONJ-UHFFFAOYSA-N -1 0 316.383 -0.490 20 0 DBADRM Cc1cncn1CC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600631873 1017707790 /nfs/dbraw/zinc/70/77/90/1017707790.db2.gz FTLSSQWIQACGQG-WDEREUQCSA-N -1 0 306.322 -0.761 20 0 DBADRM Cc1cncn1CC(=O)N(C)CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600632051 1017707916 /nfs/dbraw/zinc/70/79/16/1017707916.db2.gz WBRLOJVFSRZCLL-NWDGAFQWSA-N -1 0 322.365 -0.123 20 0 DBADRM Cc1cnccc1CC(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600631193 1017707994 /nfs/dbraw/zinc/70/79/94/1017707994.db2.gz WFDDVCFWBHPAMN-STQMWFEESA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001600628924 1017708155 /nfs/dbraw/zinc/70/81/55/1017708155.db2.gz ZPQCIYGKWDRUQF-JGZJWPJOSA-N -1 0 306.322 -0.577 20 0 DBADRM Cc1cnn(CC(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001600637966 1017708757 /nfs/dbraw/zinc/70/87/57/1017708757.db2.gz XGDCPDIKPLDWPM-VXGBXAGGSA-N -1 0 320.349 -0.419 20 0 DBADRM Cc1cnn([C@H]2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)C2)c1 ZINC001600636532 1017709023 /nfs/dbraw/zinc/70/90/23/1017709023.db2.gz GFJIYGRLWRJZOX-JTQLQIEISA-N -1 0 304.310 -0.045 20 0 DBADRM Cc1csc(Cn2nnnc2N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC001600660228 1017709296 /nfs/dbraw/zinc/70/92/96/1017709296.db2.gz NGIDVFXSAWIPMD-MRVPVSSYSA-N -1 0 310.339 -0.224 20 0 DBADRM Cc1cnoc1C(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1 ZINC001600637381 1017709428 /nfs/dbraw/zinc/70/94/28/1017709428.db2.gz KGIBPISARNICBZ-QMMMGPOBSA-N -1 0 321.293 -0.904 20 0 DBADRM Cc1conc1C(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1 ZINC001600644177 1017709507 /nfs/dbraw/zinc/70/95/07/1017709507.db2.gz SJRUVAUTYIMGHG-QMMMGPOBSA-N -1 0 321.293 -0.904 20 0 DBADRM Cc1cnn(Cc2cc(C(=O)NCC(=O)NCC(=O)[O-])no2)c1 ZINC001600639185 1017709860 /nfs/dbraw/zinc/70/98/60/1017709860.db2.gz XXCAEMAVBXBXEY-UHFFFAOYSA-N -1 0 321.293 -0.842 20 0 DBADRM Cc1cnoc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600637307 1017710066 /nfs/dbraw/zinc/71/00/66/1017710066.db2.gz IGFSPBKYLLZMCI-XXFSISAASA-N -1 0 319.317 -0.110 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC(=O)N(C)[C@H](C)C2)c1C(=O)[O-] ZINC001600670638 1017710529 /nfs/dbraw/zinc/71/05/29/1017710529.db2.gz YRGKOEOAUPKRCE-ZCFIWIBFSA-N -1 0 316.339 -0.732 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)Cc2cn(C)nn2)c1C(=O)[O-] ZINC001600670049 1017710421 /nfs/dbraw/zinc/71/04/21/1017710421.db2.gz JXBWJXQHZBSRIR-UHFFFAOYSA-N -1 0 314.327 -0.634 20 0 DBADRM Cc1n[nH]c(C)c1CCC(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001600667947 1017710696 /nfs/dbraw/zinc/71/06/96/1017710696.db2.gz KOVNDUQIZKLPKL-LLVKDONJSA-N -1 0 306.326 -0.180 20 0 DBADRM Cc1nnc(CNC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CCC2)[nH]1 ZINC001600670216 1017710711 /nfs/dbraw/zinc/71/07/11/1017710711.db2.gz CKPTYFUEEQTPST-ZJUUUORDSA-N -1 0 307.354 -0.038 20 0 DBADRM Cc1nnc(CC(=O)N(C)C2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]1 ZINC001600671329 1017710907 /nfs/dbraw/zinc/71/09/07/1017710907.db2.gz JAWJTEVNMNIAON-UWVGGRQHSA-N -1 0 321.337 -0.954 20 0 DBADRM Cc1n[nH]c(C)c1[C@H]1COCCN1CCC(=O)NCC(=O)[O-] ZINC001600668533 1017711084 /nfs/dbraw/zinc/71/10/84/1017711084.db2.gz UWFLKGMGEVPBIY-LLVKDONJSA-N -1 0 310.354 -0.009 20 0 DBADRM Cc1[nH]nc(Cl)c1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001600670706 1017711933 /nfs/dbraw/zinc/71/19/33/1017711933.db2.gz KBYCZIDDVBTOCS-LURJTMIESA-N -1 0 300.702 -0.213 20 0 DBADRM Cc1n[nH]c(C)c1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600667094 1017711947 /nfs/dbraw/zinc/71/19/47/1017711947.db2.gz RILYQTHQZCLMNJ-NXEZZACHSA-N -1 0 306.322 -0.312 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H]2C[C@H](O)C23CCC3)c1C(=O)[O-] ZINC001600673824 1017713448 /nfs/dbraw/zinc/71/34/48/1017713448.db2.gz VQVXWCVJBKFBHA-SFYZADRCSA-N -1 0 315.351 -0.002 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]1 ZINC001600671526 1017713818 /nfs/dbraw/zinc/71/38/18/1017713818.db2.gz MASSPFVPCSSMII-JXUBOQSCSA-N -1 0 321.337 -0.860 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)c1C(=O)[O-] ZINC001600674923 1017714065 /nfs/dbraw/zinc/71/40/65/1017714065.db2.gz SZAUFWLAFDIRHE-JGVFFNPUSA-N -1 0 301.324 -0.368 20 0 DBADRM Cc1nnc(CN(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C2CC2)[nH]1 ZINC001600671384 1017714572 /nfs/dbraw/zinc/71/45/72/1017714572.db2.gz KTQQDKZQCBGVAS-GHMZBOCLSA-N -1 0 307.354 -0.086 20 0 DBADRM Cc1nc(N2CCN(C(=O)c3cc(C(=O)[O-])on3)CC2)n[nH]1 ZINC001600671825 1017714808 /nfs/dbraw/zinc/71/48/08/1017714808.db2.gz CFQZPMGLXAQSDD-UHFFFAOYSA-N -1 0 306.282 -0.238 20 0 DBADRM Cc1nc(C)c(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])[nH]1 ZINC001600682631 1017716264 /nfs/dbraw/zinc/71/62/64/1017716264.db2.gz KWKBNKGWOCZDSP-VIFPVBQESA-N -1 0 315.351 -0.260 20 0 DBADRM Cc1nc(SCC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)n[nH]1 ZINC001600675407 1017716313 /nfs/dbraw/zinc/71/63/13/1017716313.db2.gz YBZKFZVKERQQPL-XPUUQOCRSA-N -1 0 300.340 -0.094 20 0 DBADRM Cc1nc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c[nH]1 ZINC001600682049 1017716709 /nfs/dbraw/zinc/71/67/09/1017716709.db2.gz DQWSXXILHMJIDI-UWVGGRQHSA-N -1 0 306.322 -0.278 20 0 DBADRM Cc1nc(SCC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n[nH]1 ZINC001600675406 1017716869 /nfs/dbraw/zinc/71/68/69/1017716869.db2.gz YBZKFZVKERQQPL-SVRRBLITSA-N -1 0 300.340 -0.094 20 0 DBADRM Cc1nc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001600682256 1017716983 /nfs/dbraw/zinc/71/69/83/1017716983.db2.gz HGJOJKKHGQNAHZ-LBPRGKRZSA-N -1 0 305.298 -0.369 20 0 DBADRM Cc1nc(C(=O)N2CCC[C@H]2CC(=O)[O-])nn1-c1nc[nH]n1 ZINC001600683190 1017717053 /nfs/dbraw/zinc/71/70/53/1017717053.db2.gz WDPVZEDEUIGANR-QMMMGPOBSA-N -1 0 305.298 -0.227 20 0 DBADRM Cc1nc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n(C)n1 ZINC001600683279 1017717534 /nfs/dbraw/zinc/71/75/34/1017717534.db2.gz ZSKJGIYRVROKDI-CQSZACIVSA-N -1 0 323.353 -0.875 20 0 DBADRM Cc1nc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c(=O)[nH]c1C ZINC001600682367 1017717562 /nfs/dbraw/zinc/71/75/62/1017717562.db2.gz KDMJKURFLNUZLR-CQSZACIVSA-N -1 0 320.305 -0.168 20 0 DBADRM Cc1nc(C)n(C2CN(C(=O)Cn3cc(C(=O)[O-])cn3)C2)n1 ZINC001600692130 1017718249 /nfs/dbraw/zinc/71/82/49/1017718249.db2.gz BLHDWDQJKBMBNT-UHFFFAOYSA-N -1 0 304.310 -0.127 20 0 DBADRM Cc1nc(C)c(CC(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c(=O)[nH]1 ZINC001600691129 1017718354 /nfs/dbraw/zinc/71/83/54/1017718354.db2.gz QKBGJHGTAYDDPV-JQWIXIFHSA-N -1 0 309.322 -0.222 20 0 DBADRM Cc1nc([C@H]2CCN(S(=O)(=O)N(C)CCC(=O)[O-])C2)no1 ZINC001600697008 1017718522 /nfs/dbraw/zinc/71/85/22/1017718522.db2.gz NBODXJXWAKWGRP-VIFPVBQESA-N -1 0 318.355 -0.181 20 0 DBADRM Cc1nc(CN(C)S(=O)(=O)c2cc(C(=O)[O-])no2)no1 ZINC001600700480 1017718750 /nfs/dbraw/zinc/71/87/50/1017718750.db2.gz LXLSYZTWZZCNIA-UHFFFAOYSA-N -1 0 302.268 -0.115 20 0 DBADRM Cc1nc(CS(=O)(=O)N[C@]2(CC(=O)[O-])CCCOC2)no1 ZINC001600703949 1017718867 /nfs/dbraw/zinc/71/88/67/1017718867.db2.gz ATHQGJUAQALTPW-NSHDSACASA-N -1 0 319.339 -0.179 20 0 DBADRM Cc1nc(NC(=O)CN2CCN(C)C(=O)C2)sc1C(=O)[O-] ZINC001600712845 1017719032 /nfs/dbraw/zinc/71/90/32/1017719032.db2.gz NLSPUJCUCQARJE-UHFFFAOYSA-N -1 0 312.351 -0.138 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]3C)nn2)no1 ZINC001600706672 1017719083 /nfs/dbraw/zinc/71/90/83/1017719083.db2.gz MSDZVKXHDOGMBX-CBAPKCEASA-N -1 0 320.309 -0.047 20 0 DBADRM Cc1nc(N)nc(C)c1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001600709376 1017719115 /nfs/dbraw/zinc/71/91/15/1017719115.db2.gz KTLNADLZFYWPCU-UHFFFAOYSA-N -1 0 317.309 -0.338 20 0 DBADRM Cc1nc(C)c(CC(=O)O[C@H](C)C(=O)NCC(=O)[O-])c(=O)[nH]1 ZINC001600691800 1017719177 /nfs/dbraw/zinc/71/91/77/1017719177.db2.gz QQHWBZBWCFLILU-SSDOTTSWSA-N -1 0 311.294 -0.526 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N[C@@H](C(=O)[O-])C3CC3)nn2)no1 ZINC001600708463 1017719356 /nfs/dbraw/zinc/71/93/56/1017719356.db2.gz DEOLCJXZXPVCPI-SNVBAGLBSA-N -1 0 306.282 -0.389 20 0 DBADRM Cc1nc(CN(C)C(=O)Cn2cccc(C(=O)[O-])c2=O)no1 ZINC001600699717 1017719472 /nfs/dbraw/zinc/71/94/72/1017719472.db2.gz RDFLXCJEGDSBAN-UHFFFAOYSA-N -1 0 306.278 -0.103 20 0 DBADRM Cc1nc(Cn2nnc(C(=O)NCCOCC(=O)[O-])c2C)no1 ZINC001600709354 1017719565 /nfs/dbraw/zinc/71/95/65/1017719565.db2.gz NRAIHXFLNKPZMA-UHFFFAOYSA-N -1 0 324.297 -0.843 20 0 DBADRM Cc1nc2cc(C(=O)N3CC(O)(C(=O)[O-])C3)ccc2c(=O)[nH]1 ZINC001600723130 1017720061 /nfs/dbraw/zinc/72/00/61/1017720061.db2.gz MXNCOGKFKQVIER-UHFFFAOYSA-N -1 0 303.274 -0.085 20 0 DBADRM Cc1nc2n(n1)CCN(S(=O)(=O)c1cc(C(=O)[O-])no1)C2 ZINC001600732282 1017720097 /nfs/dbraw/zinc/72/00/97/1017720097.db2.gz SCDJSMLKTLBYHT-UHFFFAOYSA-N -1 0 313.295 -0.523 20 0 DBADRM Cc1ncc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1C ZINC001600733626 1017720340 /nfs/dbraw/zinc/72/03/40/1017720340.db2.gz SPVZBKKINKFTOW-VHSXEESVSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@@H](CO)C(=O)[O-] ZINC001600722480 1017720412 /nfs/dbraw/zinc/72/04/12/1017720412.db2.gz HFISPJXLTRSSHS-VIFPVBQESA-N -1 0 308.294 -0.844 20 0 DBADRM Cc1nc2ccccc2n1CC(=O)NCC(=O)NCC(=O)[O-] ZINC001600729121 1017720448 /nfs/dbraw/zinc/72/04/48/1017720448.db2.gz IMSIVRFRAHNIFF-UHFFFAOYSA-N -1 0 304.306 -0.338 20 0 DBADRM Cc1ncc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c(N)n1 ZINC001600733944 1017720886 /nfs/dbraw/zinc/72/08/86/1017720886.db2.gz YHKYMKINNJMAJE-MRVPVSSYSA-N -1 0 317.309 -0.256 20 0 DBADRM Cc1nc2n(n1)CCN(S(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C2 ZINC001600732390 1017720980 /nfs/dbraw/zinc/72/09/80/1017720980.db2.gz YWDNBIWDLVJIGX-UHFFFAOYSA-N -1 0 312.311 -0.788 20 0 DBADRM Cc1nc[nH]c(=O)c1CCC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001600733540 1017721018 /nfs/dbraw/zinc/72/10/18/1017721018.db2.gz SREUENXGSIDOBB-UHFFFAOYSA-N -1 0 324.337 -0.480 20 0 DBADRM Cc1ncc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1C ZINC001600734022 1017721062 /nfs/dbraw/zinc/72/10/62/1017721062.db2.gz PFAGZUUPDJDSDB-ZJUUUORDSA-N -1 0 308.338 -0.363 20 0 DBADRM Cc1nc[nH]c(=O)c1CCC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001600732810 1017721259 /nfs/dbraw/zinc/72/12/59/1017721259.db2.gz CRIMASMCVWYSEW-UHFFFAOYSA-N -1 0 320.309 -0.471 20 0 DBADRM Cc1ncc(C(=O)NCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])n1C ZINC001600734013 1017721391 /nfs/dbraw/zinc/72/13/91/1017721391.db2.gz PFAGZUUPDJDSDB-UWVGGRQHSA-N -1 0 308.338 -0.363 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@H]3[C@H](C(=O)[O-])[C@H]3C1)CC2 ZINC001600731342 1017721414 /nfs/dbraw/zinc/72/14/14/1017721414.db2.gz KRIPGDFQIYQTSO-SVDPJWKOSA-N -1 0 305.338 -0.127 20 0 DBADRM Cc1ncc(Br)c(C(=O)N[C@@H](CO)C(=O)[O-])n1 ZINC001600732319 1017721430 /nfs/dbraw/zinc/72/14/30/1017721430.db2.gz KJSDFIIGHVRQAB-LURJTMIESA-N -1 0 304.100 -0.277 20 0 DBADRM Cc1nc2n(n1)CCN([C@H]1CCCN(CCC(=O)[O-])C1=O)C2 ZINC001600732089 1017721489 /nfs/dbraw/zinc/72/14/89/1017721489.db2.gz NDPYAZCEDQOGTH-NSHDSACASA-N -1 0 307.354 -0.132 20 0 DBADRM Cc1nccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600748665 1017721947 /nfs/dbraw/zinc/72/19/47/1017721947.db2.gz DHCHMRPKJFOAJI-ZRUFSTJUSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1nccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600748654 1017722563 /nfs/dbraw/zinc/72/25/63/1017722563.db2.gz DHCHMRPKJFOAJI-VLEAKVRGSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1ncc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])o1 ZINC001600736088 1017722676 /nfs/dbraw/zinc/72/26/76/1017722676.db2.gz OCNQQHKLLOYZFM-WPRPVWTQSA-N -1 0 308.294 -0.438 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)N(C)[C@H](C)C(=O)[O-] ZINC001600747273 1017723006 /nfs/dbraw/zinc/72/30/06/1017723006.db2.gz JTWXFKWNGCPYMZ-SSDOTTSWSA-N -1 0 301.324 -0.417 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)NC[C@H](F)C(=O)[O-] ZINC001600747575 1017723092 /nfs/dbraw/zinc/72/30/92/1017723092.db2.gz QXMSCAAUWNAQKM-QMMMGPOBSA-N -1 0 305.287 -0.810 20 0 DBADRM Cc1ncc(S(=O)(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)n1C ZINC001600746289 1017723107 /nfs/dbraw/zinc/72/31/07/1017723107.db2.gz RXWPDBOVPFPQEM-UWVGGRQHSA-N -1 0 317.367 -0.256 20 0 DBADRM Cc1ncc(S(=O)(=O)NCC[S@@](C)=O)cc1C(=O)[O-] ZINC001600748101 1017723123 /nfs/dbraw/zinc/72/31/23/1017723123.db2.gz ZBPKIFOQAWTOTG-GOSISDBHSA-N -1 0 306.365 -0.255 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)s1 ZINC001600737138 1017723151 /nfs/dbraw/zinc/72/31/51/1017723151.db2.gz FDGAESIWFZIMMJ-YUMQZZPRSA-N -1 0 313.335 -0.316 20 0 DBADRM Cc1ncncc1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600758045 1017724384 /nfs/dbraw/zinc/72/43/84/1017724384.db2.gz HZVVZWJCPHUEMO-WDEREUQCSA-N -1 0 318.333 -0.210 20 0 DBADRM Cc1ncn(C)c1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600758578 1017724430 /nfs/dbraw/zinc/72/44/30/1017724430.db2.gz PUZAQHZEYMNVEU-ZJUUUORDSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1ncoc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600759217 1017724442 /nfs/dbraw/zinc/72/44/42/1017724442.db2.gz YEVUJPWJQNHUGO-NXEZZACHSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1ncc2n1C[C@@H](C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-])CC2 ZINC001600749637 1017724529 /nfs/dbraw/zinc/72/45/29/1017724529.db2.gz USYTVBNTFWOENM-JQWIXIFHSA-N -1 0 320.349 -0.492 20 0 DBADRM Cc1ncoc1C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600758869 1017724962 /nfs/dbraw/zinc/72/49/62/1017724962.db2.gz GOMYRATZWBGADH-IUCAKERBSA-N -1 0 323.305 -0.993 20 0 DBADRM Cc1ncccc1NC(=O)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001600754109 1017725511 /nfs/dbraw/zinc/72/55/11/1017725511.db2.gz ULFLAEKLKHXHCJ-QWRGUYRKSA-N -1 0 307.306 -0.235 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001600756568 1017725535 /nfs/dbraw/zinc/72/55/35/1017725535.db2.gz IIUBQOIHPRTGOP-NSHDSACASA-N -1 0 308.338 -0.227 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001600757128 1017725715 /nfs/dbraw/zinc/72/57/15/1017725715.db2.gz REMHYTHBJCPUFK-UHFFFAOYSA-N -1 0 320.309 -0.622 20 0 DBADRM Cc1nccc(CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])n1 ZINC001600750397 1017725779 /nfs/dbraw/zinc/72/57/79/1017725779.db2.gz GCVSSOKPFWXCAB-YUMQZZPRSA-N -1 0 309.326 -0.438 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001600770945 1017726201 /nfs/dbraw/zinc/72/62/01/1017726201.db2.gz QUJWHIAVKBWMLA-MFKMUULPSA-N -1 0 310.354 -0.115 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c1C ZINC001600766492 1017726212 /nfs/dbraw/zinc/72/62/12/1017726212.db2.gz DFBFQRMUBXPGBK-MWLCHTKSSA-N -1 0 309.322 -0.383 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1C ZINC001600767110 1017726295 /nfs/dbraw/zinc/72/62/95/1017726295.db2.gz NIJJRXUOUBJPFJ-GHMZBOCLSA-N -1 0 323.349 -0.136 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600759630 1017726781 /nfs/dbraw/zinc/72/67/81/1017726781.db2.gz IBFVBOVTESHALC-UHFFFAOYSA-N -1 0 306.365 -0.545 20 0 DBADRM Cc1nn(C)c(C)c1Cn1nnnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001600771500 1017727078 /nfs/dbraw/zinc/72/70/78/1017727078.db2.gz PYDPVKXJBMLZGG-SNVBAGLBSA-N -1 0 305.342 -0.017 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001600771939 1017727249 /nfs/dbraw/zinc/72/72/49/1017727249.db2.gz ZVXXYTQNKXZDLH-KOLCDFICSA-N -1 0 324.337 -0.588 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001600768757 1017727503 /nfs/dbraw/zinc/72/75/03/1017727503.db2.gz WWFOIUVOTILKIS-YUMQZZPRSA-N -1 0 324.337 -0.686 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001600769252 1017727630 /nfs/dbraw/zinc/72/76/30/1017727630.db2.gz RDNVMGQLQREJLQ-GZMMTYOYSA-N -1 0 322.365 -0.106 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C1 ZINC001600778554 1017728552 /nfs/dbraw/zinc/72/85/52/1017728552.db2.gz TZGIHDUDIXIISY-ONOSFVFSSA-N -1 0 310.310 -0.828 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001600777305 1017728568 /nfs/dbraw/zinc/72/85/68/1017728568.db2.gz CCHXWGCWLPZGJQ-LLVKDONJSA-N -1 0 317.367 -0.425 20 0 DBADRM Cc1nn(C)c(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1C ZINC001600772456 1017728578 /nfs/dbraw/zinc/72/85/78/1017728578.db2.gz HNZLORCNGMVMFR-UWVGGRQHSA-N -1 0 324.337 -0.731 20 0 DBADRM Cc1nn(C)cc1C(=O)N(C)CCNc1ccnc(C(=O)[O-])n1 ZINC001600775899 1017728888 /nfs/dbraw/zinc/72/88/88/1017728888.db2.gz FKUFXIAOOVXYJD-UHFFFAOYSA-N -1 0 318.337 -0.177 20 0 DBADRM Cc1nn(C)cc1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600775856 1017728919 /nfs/dbraw/zinc/72/89/19/1017728919.db2.gz DMSMSWKFLXWXSM-WDEREUQCSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1nn(C)cc1C(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600775897 1017729413 /nfs/dbraw/zinc/72/94/13/1017729413.db2.gz FGPKGMONRODNLQ-VHSXEESVSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1nn(CC(=O)NCCc2ccccc2C(=O)[O-])c(=O)n1C ZINC001600780524 1017730002 /nfs/dbraw/zinc/73/00/02/1017730002.db2.gz JBIODFCUOXZOOU-UHFFFAOYSA-N -1 0 318.333 -0.053 20 0 DBADRM Cc1nnc(-c2cccc(C(=O)NCC(=O)NCC(=O)[O-])c2)o1 ZINC001600791356 1017730025 /nfs/dbraw/zinc/73/00/25/1017730025.db2.gz IHAADNSUJWLIDN-UHFFFAOYSA-N -1 0 318.289 -0.024 20 0 DBADRM Cc1nn(CC(=O)N[C@]2(CC(=O)[O-])CCCOC2)c(=O)n1C ZINC001600780733 1017730055 /nfs/dbraw/zinc/73/00/55/1017730055.db2.gz MWMLCYQFHRJVCX-ZDUSSCGKSA-N -1 0 312.326 -0.970 20 0 DBADRM Cc1nn(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)c(=O)n1C ZINC001600779130 1017730342 /nfs/dbraw/zinc/73/03/42/1017730342.db2.gz TVLWNGJOYRTSCH-SRVKXCTJSA-N -1 0 322.365 -0.008 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)Cn2cccc(C(=O)[O-])c2=O)[nH]1 ZINC001600791662 1017730511 /nfs/dbraw/zinc/73/05/11/1017730511.db2.gz ARFZPUAYQKZRAD-ZETCQYMHSA-N -1 0 305.294 -0.150 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNS(=O)(=O)N1CCC1 ZINC001600782385 1017730815 /nfs/dbraw/zinc/73/08/15/1017730815.db2.gz LNYQLMRGSXAQNB-UHFFFAOYSA-N -1 0 302.356 -0.375 20 0 DBADRM Cc1nn(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)c(=O)n1C ZINC001600788069 1017731302 /nfs/dbraw/zinc/73/13/02/1017731302.db2.gz RIIZKMRAWWFYDW-UHFFFAOYSA-N -1 0 321.341 -0.525 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)NC[C@@]1(C(=O)[O-])CCOC1)CC2 ZINC001600799833 1017731808 /nfs/dbraw/zinc/73/18/08/1017731808.db2.gz FREGICOKBBGZQN-YGRLFVJLSA-N -1 0 308.338 -0.244 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)NCCC(=O)NCCC(=O)[O-])[nH]1 ZINC001600793322 1017731859 /nfs/dbraw/zinc/73/18/59/1017731859.db2.gz XPOLCYSPOXCLGJ-ZETCQYMHSA-N -1 0 312.330 -0.546 20 0 DBADRM Cc1nnc(CC(=O)NCCN(C)c2ncc(C(=O)[O-])cn2)o1 ZINC001600794804 1017732192 /nfs/dbraw/zinc/73/21/92/1017732192.db2.gz UKFCDONNNBGDKG-UHFFFAOYSA-N -1 0 320.309 -0.339 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)NC[C@@]1(C(=O)[O-])CCOC1)CC2 ZINC001600799830 1017732215 /nfs/dbraw/zinc/73/22/15/1017732215.db2.gz FREGICOKBBGZQN-HZMBPMFUSA-N -1 0 308.338 -0.244 20 0 DBADRM Cc1nnc(CC(=O)NCC2(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)o1 ZINC001600794575 1017732384 /nfs/dbraw/zinc/73/23/84/1017732384.db2.gz QIVRHWSWFVUAAP-IUCAKERBSA-N -1 0 322.321 -0.594 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)CC2 ZINC001600799598 1017732732 /nfs/dbraw/zinc/73/27/32/1017732732.db2.gz APBKDGXKOUGMNC-QWRGUYRKSA-N -1 0 308.338 -0.149 20 0 DBADRM Cc1nnc(CN2C(=O)[C@@H]3CC[C@H](C(=O)[O-])CN3C2=O)n1C ZINC001600794112 1017732950 /nfs/dbraw/zinc/73/29/50/1017732950.db2.gz LETXRGDSWOKVOV-IUCAKERBSA-N -1 0 307.310 -0.249 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)CC2 ZINC001600799596 1017733021 /nfs/dbraw/zinc/73/30/21/1017733021.db2.gz APBKDGXKOUGMNC-GHMZBOCLSA-N -1 0 308.338 -0.149 20 0 DBADRM Cc1nnccc1C(=O)NCC1(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600799591 1017733096 /nfs/dbraw/zinc/73/30/96/1017733096.db2.gz ALQDZFIHAJORKH-MNOVXSKESA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1nnc(CC(=O)NCCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])o1 ZINC001600794489 1017733132 /nfs/dbraw/zinc/73/31/32/1017733132.db2.gz OZJHFWMVXJLPAJ-UWVGGRQHSA-N -1 0 324.337 -0.394 20 0 DBADRM Cc1noc(CCCNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC001600812429 1017733494 /nfs/dbraw/zinc/73/34/94/1017733494.db2.gz FQFWVWCKIILXIB-CQSZACIVSA-N -1 0 324.337 -0.250 20 0 DBADRM Cc1noc(CCCC(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001600811831 1017733597 /nfs/dbraw/zinc/73/35/97/1017733597.db2.gz JKJRGPAKPMJIDA-VHSXEESVSA-N -1 0 324.337 -0.346 20 0 DBADRM Cc1noc(CCCC(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600811832 1017733898 /nfs/dbraw/zinc/73/38/98/1017733898.db2.gz JKJRGPAKPMJIDA-ZJUUUORDSA-N -1 0 324.337 -0.346 20 0 DBADRM Cc1nnc2c(N(CCN3CCOCC3)CC(=O)[O-])nccn12 ZINC001600801274 1017733927 /nfs/dbraw/zinc/73/39/27/1017733927.db2.gz NJXOVFURRXXUDC-UHFFFAOYSA-N -1 0 320.353 -0.344 20 0 DBADRM Cc1nnsc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600802365 1017734268 /nfs/dbraw/zinc/73/42/68/1017734268.db2.gz DISBIIOCXSVTBV-UYXSQOIJSA-N -1 0 324.362 -0.056 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)n1 ZINC001600812793 1017734281 /nfs/dbraw/zinc/73/42/81/1017734281.db2.gz JNDLHOWPFXIVQI-UHFFFAOYSA-N -1 0 324.337 -0.204 20 0 DBADRM Cc1nonc1CC(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600817320 1017735355 /nfs/dbraw/zinc/73/53/55/1017735355.db2.gz AIODIBVFAASFEW-UWVGGRQHSA-N -1 0 322.321 -0.784 20 0 DBADRM Cc1nocc1NC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001600818057 1017735992 /nfs/dbraw/zinc/73/59/92/1017735992.db2.gz IRVWEROZPFRUNC-GZMMTYOYSA-N -1 0 317.323 -0.008 20 0 DBADRM Cc1oc(CNC(=O)C(=O)NCC(F)(F)CN)cc1C(=O)[O-] ZINC001600846074 1017737238 /nfs/dbraw/zinc/73/72/38/1017737238.db2.gz NOFNWSYITSRAIK-UHFFFAOYSA-N -1 0 319.264 -0.387 20 0 DBADRM Cc1oc(C(=O)[O-])cc1CN1CCN2[C@H](CNS2(=O)=O)C1 ZINC001600830578 1017737331 /nfs/dbraw/zinc/73/73/31/1017737331.db2.gz ZXKXTYJELRXHSS-SNVBAGLBSA-N -1 0 315.351 -0.380 20 0 DBADRM Cc1oc(CN(C)C(=O)C[C@@H]2NC(=O)NC2=O)cc1C(=O)[O-] ZINC001600844253 1017737573 /nfs/dbraw/zinc/73/75/73/1017737573.db2.gz PZCVJZLMWQBSSV-VIFPVBQESA-N -1 0 309.278 -0.157 20 0 DBADRM Cc1oc(C(=O)N[C@H](CO)C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC001600823278 1017737692 /nfs/dbraw/zinc/73/76/92/1017737692.db2.gz MVCVPEHMKVDTBA-SSDOTTSWSA-N -1 0 320.323 -0.986 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCN1CCNC1=O ZINC001600834812 1017737726 /nfs/dbraw/zinc/73/77/26/1017737726.db2.gz DSINTISCWPUZIA-UHFFFAOYSA-N -1 0 317.323 -0.410 20 0 DBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600857452 1017737916 /nfs/dbraw/zinc/73/79/16/1017737916.db2.gz ZBLRURMQBLHIJZ-UHFFFAOYSA-N -1 0 303.292 -0.737 20 0 DBADRM Cc1sc(=O)n(CC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1C ZINC001600866669 1017738263 /nfs/dbraw/zinc/73/82/63/1017738263.db2.gz RDNRVIVFAYXXKL-UWVGGRQHSA-N -1 0 314.363 -0.179 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)N[C@H]3CCO[C@H]3C(=O)[O-])ccnc1-2 ZINC001600891149 1017738366 /nfs/dbraw/zinc/73/83/66/1017738366.db2.gz AHNUJAVAGZKEGN-VHSXEESVSA-N -1 0 305.294 -0.295 20 0 DBADRM Cc1ocnc1C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600861473 1017739148 /nfs/dbraw/zinc/73/91/48/1017739148.db2.gz JZYATEMZRQISHS-IUCAKERBSA-N -1 0 323.305 -0.993 20 0 DBADRM Cc1sc(=O)n(CC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1C ZINC001600867199 1017739245 /nfs/dbraw/zinc/73/92/45/1017739245.db2.gz ZYOUXAFTAQHLPD-BDAKNGLRSA-N -1 0 300.336 -0.427 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001600858634 1017739855 /nfs/dbraw/zinc/73/98/55/1017739855.db2.gz ZYKMKAXWUPDTPF-HTRCEHHLSA-N -1 0 302.308 -0.314 20 0 DBADRM Cc1oc(S(=O)(=O)NC[C@@]2(O)CCOC2)cc1C(=O)[O-] ZINC001600857966 1017739989 /nfs/dbraw/zinc/73/99/89/1017739989.db2.gz PBDASJHXFZQEGX-NSHDSACASA-N -1 0 305.308 -0.284 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1=O ZINC001600896847 1017740444 /nfs/dbraw/zinc/74/04/44/1017740444.db2.gz UHPKZVMVJANYRF-BMIGLBTASA-N -1 0 321.333 -0.597 20 0 DBADRM Cn1c(=O)cccc1C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001600899601 1017740484 /nfs/dbraw/zinc/74/04/84/1017740484.db2.gz OHOCURHRZULHSN-AWEZNQCLSA-N -1 0 305.290 -0.169 20 0 DBADRM Cn1c2ccncc2n(CN2CCOC[C@@H]2CC(=O)[O-])c1=O ZINC001600897431 1017740609 /nfs/dbraw/zinc/74/06/09/1017740609.db2.gz XPLVVYRJHFWGBM-JTQLQIEISA-N -1 0 306.322 -0.132 20 0 DBADRM Cn1c2cc(NC(=O)COCC(=O)[O-])ccc2c(=O)n(C)c1=O ZINC001600894802 1017740629 /nfs/dbraw/zinc/74/06/29/1017740629.db2.gz LMWVKJNOQDGJAA-UHFFFAOYSA-N -1 0 321.289 -0.723 20 0 DBADRM Cn1c(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c[nH]c1=O ZINC001600900234 1017740697 /nfs/dbraw/zinc/74/06/97/1017740697.db2.gz MBZLGPFKUSMKOS-RKDXNWHRSA-N -1 0 322.321 -0.965 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N[C@@H](CC(=O)[O-])c2ccncc2)c1=O ZINC001600895876 1017740954 /nfs/dbraw/zinc/74/09/54/1017740954.db2.gz LVNYGICGGBEZIC-JTQLQIEISA-N -1 0 318.289 -0.173 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001600921583 1017745513 /nfs/dbraw/zinc/74/55/13/1017745513.db2.gz FTNPOLFRRMZLRQ-UHFFFAOYSA-N -1 0 323.758 -0.326 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001600902295 1017741141 /nfs/dbraw/zinc/74/11/41/1017741141.db2.gz HUYWNSHEOZVNED-UHFFFAOYSA-N -1 0 301.324 -0.903 20 0 DBADRM Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC001600897928 1017741249 /nfs/dbraw/zinc/74/12/49/1017741249.db2.gz DSIIOPCSEBVDNM-JTQLQIEISA-N -1 0 323.353 -0.269 20 0 DBADRM Cn1c(C(=O)N2CC(O)(C(=O)[O-])C2)cc(=O)c2ccccc21 ZINC001600899939 1017741603 /nfs/dbraw/zinc/74/16/03/1017741603.db2.gz YTJYKBKNSJYNPZ-UHFFFAOYSA-N -1 0 302.286 -0.190 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)c1=O ZINC001600896031 1017741697 /nfs/dbraw/zinc/74/16/97/1017741697.db2.gz PHKIKGRTVWMSDO-SNVBAGLBSA-N -1 0 319.273 -0.253 20 0 DBADRM Cn1c(CN2CCO[C@H](CS(C)(=O)=O)C2)ccc1C(=O)[O-] ZINC001600914957 1017742501 /nfs/dbraw/zinc/74/25/01/1017742501.db2.gz PTKSQFLCIKWWOI-NSHDSACASA-N -1 0 316.379 -0.031 20 0 DBADRM Cn1c(C[C@H](O)C2CC2)nnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC001600913020 1017742537 /nfs/dbraw/zinc/74/25/37/1017742537.db2.gz WNHRACCBEBEGMG-QWRGUYRKSA-N -1 0 310.354 -0.192 20 0 DBADRM Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001600915227 1017742549 /nfs/dbraw/zinc/74/25/49/1017742549.db2.gz WAQOVZUNYHZZNS-ZDUSSCGKSA-N -1 0 311.317 -0.060 20 0 DBADRM Cn1c([C@H]2CNC(=O)C2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001600909516 1017742702 /nfs/dbraw/zinc/74/27/02/1017742702.db2.gz BXKQFDHNGCTSSS-OUAUKWLOSA-N -1 0 319.365 -0.034 20 0 DBADRM Cn1c([C@@H]2CNC(=O)C2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001600909515 1017743069 /nfs/dbraw/zinc/74/30/69/1017743069.db2.gz BXKQFDHNGCTSSS-GARJFASQSA-N -1 0 319.365 -0.034 20 0 DBADRM Cn1c(C[C@@H](O)C2CC2)nnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC001600913022 1017744110 /nfs/dbraw/zinc/74/41/10/1017744110.db2.gz WNHRACCBEBEGMG-WDEREUQCSA-N -1 0 310.354 -0.192 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NC[C@@H](O)CN1CCCC1=O ZINC001600904869 1017744314 /nfs/dbraw/zinc/74/43/14/1017744314.db2.gz ZERUAHKKIAPYPS-SECBINFHSA-N -1 0 309.322 -0.564 20 0 DBADRM Cn1c([C@@H]2CCCCC(=O)N2)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001600910314 1017744324 /nfs/dbraw/zinc/74/43/24/1017744324.db2.gz IWFISBNQZKOBSC-VHSXEESVSA-N -1 0 323.353 -0.164 20 0 DBADRM Cn1cc(C(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cn1 ZINC001600927712 1017745255 /nfs/dbraw/zinc/74/52/55/1017745255.db2.gz AWAKAZZDSJEHMC-IINYFYTJSA-N -1 0 307.306 -0.448 20 0 DBADRM Cn1cc(-c2ccc(=O)n(CN3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)n2)cn1 ZINC001600923214 1017745482 /nfs/dbraw/zinc/74/54/82/1017745482.db2.gz CDJNCAJRUNGQRL-YABSGUDNSA-N -1 0 315.333 -0.136 20 0 DBADRM Cn1cc(C(=O)N2CCCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cn1 ZINC001600928167 1017745570 /nfs/dbraw/zinc/74/55/70/1017745570.db2.gz FLVPUKQFTXXLLB-NWDGAFQWSA-N -1 0 320.349 -0.185 20 0 DBADRM Cn1cc(C(=O)C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC001600928635 1017746549 /nfs/dbraw/zinc/74/65/49/1017746549.db2.gz XIPUXCVDAXNUGS-UHFFFAOYSA-N -1 0 323.305 -0.531 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]c1=O ZINC001600930582 1017746877 /nfs/dbraw/zinc/74/68/77/1017746877.db2.gz XMSUFQYLIUADMI-XSPKLOCKSA-N -1 0 322.321 -0.777 20 0 DBADRM Cn1cc(C(=O)N2CCC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cn1 ZINC001600929333 1017747278 /nfs/dbraw/zinc/74/72/78/1017747278.db2.gz MCXSNDLTRCRBCN-NEPJUHHUSA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]c1=O ZINC001600930581 1017747358 /nfs/dbraw/zinc/74/73/58/1017747358.db2.gz XMSUFQYLIUADMI-XAVMHZPKSA-N -1 0 322.321 -0.777 20 0 DBADRM Cn1cc(C(=O)NCC2(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cn1 ZINC001600929743 1017747777 /nfs/dbraw/zinc/74/77/77/1017747777.db2.gz DTKXZRYQJYXTTC-UWVGGRQHSA-N -1 0 306.322 -0.481 20 0 DBADRM Cn1cc(C(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001600929488 1017747985 /nfs/dbraw/zinc/74/79/85/1017747985.db2.gz PSOLWNZYIXJSAY-SSDOTTSWSA-N -1 0 317.248 -0.982 20 0 DBADRM Cn1cc(C(=O)N2CCC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cn1 ZINC001600929335 1017748124 /nfs/dbraw/zinc/74/81/24/1017748124.db2.gz MCXSNDLTRCRBCN-NWDGAFQWSA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1cc(C(=O)NC[C@H](O)CNc2ncc(C(=O)[O-])cn2)cn1 ZINC001600930381 1017748338 /nfs/dbraw/zinc/74/83/38/1017748338.db2.gz VTSDGLNCSYFQRB-JTQLQIEISA-N -1 0 320.309 -0.889 20 0 DBADRM Cn1cc(C(=O)N2CCC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cn1 ZINC001600929338 1017748362 /nfs/dbraw/zinc/74/83/62/1017748362.db2.gz MCXSNDLTRCRBCN-RYUDHWBXSA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)n1 ZINC001600934035 1017749067 /nfs/dbraw/zinc/74/90/67/1017749067.db2.gz WWYRRIRYDRPXJL-LURJTMIESA-N -1 0 306.282 -0.384 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])cn1 ZINC001600942570 1017749776 /nfs/dbraw/zinc/74/97/76/1017749776.db2.gz JVYFELXKNKLGDE-ONGXEEELSA-N -1 0 313.310 -0.824 20 0 DBADRM Cn1cc(/C=C/C(=O)OC2CC(CC(=O)[O-])C2)c(=O)n(C)c1=O ZINC001600946567 1017749793 /nfs/dbraw/zinc/74/97/93/1017749793.db2.gz QVNZSLXUVGVFNS-ONEGZZNKSA-N -1 0 322.317 -0.106 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@@H](Cc2ccccc2O)C(=O)[O-])cn1 ZINC001600942227 1017749883 /nfs/dbraw/zinc/74/98/83/1017749883.db2.gz CJXKBTYGWXCBJB-AAEUAGOBSA-N -1 0 319.317 -0.029 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001600941490 1017750094 /nfs/dbraw/zinc/75/00/94/1017750094.db2.gz UHCXMRTWYSJSPO-NXEZZACHSA-N -1 0 318.351 -0.913 20 0 DBADRM Cn1cc(/C=C\C(=O)OCC2(C(=O)[O-])CCC2)c(=O)n(C)c1=O ZINC001600944843 1017750359 /nfs/dbraw/zinc/75/03/59/1017750359.db2.gz GIADQESDTXVPDM-PLNGDYQASA-N -1 0 322.317 -0.105 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)CCN2)cn1 ZINC001600943793 1017750393 /nfs/dbraw/zinc/75/03/93/1017750393.db2.gz LZDQMMQNKSZFLD-TUAOUCFPSA-N -1 0 308.338 -0.475 20 0 DBADRM Cn1cc([C@@H](O)CNS(=O)(=O)CC2(C(=O)[O-])CC2)cn1 ZINC001600942616 1017750527 /nfs/dbraw/zinc/75/05/27/1017750527.db2.gz KPWSFEYZJSDLQR-VIFPVBQESA-N -1 0 303.340 -0.762 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@@H](CCF)C(=O)[O-])c(=O)n(C)c1=O ZINC001600945925 1017750790 /nfs/dbraw/zinc/75/07/90/1017750790.db2.gz NNVMHMUZQRIMCG-NWALNABHSA-N -1 0 313.285 -0.974 20 0 DBADRM Cn1cc([C@H](O)C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cn1 ZINC001600940424 1017750811 /nfs/dbraw/zinc/75/08/11/1017750811.db2.gz LNJVLONTUGCODG-AAEUAGOBSA-N -1 0 311.338 -0.064 20 0 DBADRM Cn1cc([C@H](O)C(=O)NCC2(CC(=O)[O-])CCOCC2)cn1 ZINC001600942502 1017751031 /nfs/dbraw/zinc/75/10/31/1017751031.db2.gz IJSDCMUNHTUCRR-LBPRGKRZSA-N -1 0 311.338 -0.159 20 0 DBADRM Cn1cc(CCCNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])cn1 ZINC001600950486 1017752037 /nfs/dbraw/zinc/75/20/37/1017752037.db2.gz XGCKLTAUZURMMX-LBPRGKRZSA-N -1 0 322.365 -0.065 20 0 DBADRM Cn1cc(CNC(=O)N[C@H]2CC=C(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001600953832 1017753972 /nfs/dbraw/zinc/75/39/72/1017753972.db2.gz PTOFEJVUBNYQJB-VIFPVBQESA-N -1 0 308.294 -0.542 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CC(C(C)(C)O)C2)cc1C(=O)[O-] ZINC001600959733 1017755275 /nfs/dbraw/zinc/75/52/75/1017755275.db2.gz YMAPJYMQKJJJEZ-UHFFFAOYSA-N -1 0 309.322 -0.109 20 0 DBADRM Cn1cc(CNC(=O)N2CC[C@](C)(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001600953366 1017755620 /nfs/dbraw/zinc/75/56/20/1017755620.db2.gz CIRCWIUJKVPDHO-ZDUSSCGKSA-N -1 0 310.310 -0.508 20 0 DBADRM Cn1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC001600963855 1017756192 /nfs/dbraw/zinc/75/61/92/1017756192.db2.gz ALWFSWIDTAQZSM-KYZUINATSA-N -1 0 309.322 -0.087 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N[C@H]3CC[C@H]3C(=O)[O-])CC2=O)cn1 ZINC001600962317 1017756215 /nfs/dbraw/zinc/75/62/15/1017756215.db2.gz UOAVUQUPPFZVPR-IEBDPFPHSA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)nc1Cl ZINC001600967269 1017756301 /nfs/dbraw/zinc/75/63/01/1017756301.db2.gz IBRTYOUUFCQQMC-NKWVEPMBSA-N -1 0 323.758 -0.470 20 0 DBADRM Cn1cc(NC(=O)COCc2ocnc2C(=O)[O-])cc1C(N)=O ZINC001600963074 1017756688 /nfs/dbraw/zinc/75/66/88/1017756688.db2.gz IFLIBIJNQVLWLA-UHFFFAOYSA-N -1 0 322.277 -0.035 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)nc1Cl ZINC001600967271 1017757561 /nfs/dbraw/zinc/75/75/61/1017757561.db2.gz IBRTYOUUFCQQMC-RQJHMYQMSA-N -1 0 323.758 -0.470 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCCc2cccc(C(=O)[O-])c2)nn1 ZINC001600961635 1017757615 /nfs/dbraw/zinc/75/76/15/1017757615.db2.gz ZJUJPJMTTNNONY-UHFFFAOYSA-N -1 0 317.305 -0.189 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N3CC4CC3(C(=O)[O-])C4)CC2=O)cn1 ZINC001600959953 1017757725 /nfs/dbraw/zinc/75/77/25/1017757725.db2.gz AXZDNFNTEGYKJQ-VOZQYIJBSA-N -1 0 318.333 -0.151 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)cc1C(=O)[O-] ZINC001600967721 1017758102 /nfs/dbraw/zinc/75/81/02/1017758102.db2.gz KWRVNCWVXUKKOT-VXNVDRBHSA-N -1 0 314.319 -0.483 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCCc2ccc(C(=O)[O-])cc2)nn1 ZINC001600960658 1017758161 /nfs/dbraw/zinc/75/81/61/1017758161.db2.gz ODKGBJUXYPVUHG-UHFFFAOYSA-N -1 0 317.305 -0.189 20 0 DBADRM Cn1cc(NC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])ccc1=O ZINC001600962944 1017758458 /nfs/dbraw/zinc/75/84/58/1017758458.db2.gz PSWAAJJAVNNCKX-SNVBAGLBSA-N -1 0 322.321 -0.418 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])cn1 ZINC001600968532 1017759075 /nfs/dbraw/zinc/75/90/75/1017759075.db2.gz ZSABCIWLCATNNH-SCZZXKLOSA-N -1 0 303.340 -0.279 20 0 DBADRM Cn1ccc(C(=O)N[C@H]2CCN(c3ncc(C(=O)[O-])cn3)C2)n1 ZINC001600972544 1017759349 /nfs/dbraw/zinc/75/93/49/1017759349.db2.gz IBUYTBYVKVKHMA-JTQLQIEISA-N -1 0 316.321 -0.083 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCNC[C@@H]2C(F)F)cc1C(=O)[O-] ZINC001600968075 1017759465 /nfs/dbraw/zinc/75/94/65/1017759465.db2.gz ZMTGUMSEQCDNPZ-SECBINFHSA-N -1 0 323.321 -0.049 20 0 DBADRM Cn1ccc(C(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])c1 ZINC001600971618 1017759917 /nfs/dbraw/zinc/75/99/17/1017759917.db2.gz YAQCNLULKRVZDJ-UWVGGRQHSA-N -1 0 320.305 -0.755 20 0 DBADRM Cn1ccc(C(=O)N(CCO)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC001600970931 1017760298 /nfs/dbraw/zinc/76/02/98/1017760298.db2.gz IHPUJIIIXQFVTC-NWDGAFQWSA-N -1 0 323.349 -0.704 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC001600969884 1017761644 /nfs/dbraw/zinc/76/16/44/1017761644.db2.gz QWEAEXDYQJZKFX-UHFFFAOYSA-N -1 0 313.335 -0.638 20 0 DBADRM Cn1cc(S(=O)(=O)NC(C)(C)CNC(N)=O)cc1C(=O)[O-] ZINC001600967902 1017761675 /nfs/dbraw/zinc/76/16/75/1017761675.db2.gz KZKGZXUKECMIJQ-UHFFFAOYSA-N -1 0 318.355 -0.552 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)nc1Cl ZINC001600967966 1017761740 /nfs/dbraw/zinc/76/17/40/1017761740.db2.gz VSHOZOXPCDHWSX-UHFFFAOYSA-N -1 0 322.774 -0.536 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(C2CCCC2)n1 ZINC001600968273 1017761834 /nfs/dbraw/zinc/76/18/34/1017761834.db2.gz TYBBAYWYFLJNNU-SECBINFHSA-N -1 0 317.367 -0.199 20 0 DBADRM Cn1ccc(C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600970875 1017762202 /nfs/dbraw/zinc/76/22/02/1017762202.db2.gz GWCNGFDNRAMSFI-VHSXEESVSA-N -1 0 306.322 -0.671 20 0 DBADRM Cn1ccc(CCNC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)n1 ZINC001600975353 1017762559 /nfs/dbraw/zinc/76/25/59/1017762559.db2.gz HOONJLJTULVHME-CQSZACIVSA-N -1 0 321.337 -0.022 20 0 DBADRM Cn1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cc1=O ZINC001600972697 1017763139 /nfs/dbraw/zinc/76/31/39/1017763139.db2.gz RNHHHLWRUAPCIR-GHMZBOCLSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1ccc(CN2CC(CCO)(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600976882 1017763198 /nfs/dbraw/zinc/76/31/98/1017763198.db2.gz VYCYAFINAJUEDA-NWDGAFQWSA-N -1 0 322.365 -0.806 20 0 DBADRM Cn1ccc(CC(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])n1 ZINC001600973891 1017763261 /nfs/dbraw/zinc/76/32/61/1017763261.db2.gz KDVVAUFOGYWXKY-SNVBAGLBSA-N -1 0 315.351 -0.937 20 0 DBADRM Cn1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600972713 1017763923 /nfs/dbraw/zinc/76/39/23/1017763923.db2.gz RTCNQQUGVFXSRO-ZRUFSTJUSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1cccc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1=O ZINC001600978208 1017764869 /nfs/dbraw/zinc/76/48/69/1017764869.db2.gz ONPMODFSULFOFH-WDEREUQCSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@@H]4C(=O)[O-])C[C@H]32)c1 ZINC001600972759 1017765142 /nfs/dbraw/zinc/76/51/42/1017765142.db2.gz WAVKVIMNJNNNOA-FHUSYTEZSA-N -1 0 317.345 -0.068 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])n1 ZINC001600977753 1017765376 /nfs/dbraw/zinc/76/53/76/1017765376.db2.gz KZKBIKDTUGSENN-IUCAKERBSA-N -1 0 303.340 -0.279 20 0 DBADRM Cn1ccnc1CCC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001600985774 1017766719 /nfs/dbraw/zinc/76/67/19/1017766719.db2.gz OQNIOOUCFVHKRG-UHFFFAOYSA-N -1 0 324.381 -0.402 20 0 DBADRM Cn1ccnc1COCC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001600987006 1017767998 /nfs/dbraw/zinc/76/79/98/1017767998.db2.gz JLZZBHIERIHKKJ-UHFFFAOYSA-N -1 0 319.321 -0.016 20 0 DBADRM Cn1ccnc1N1CCN(Cc2cn(CC(=O)[O-])nn2)CC1 ZINC001600986970 1017768141 /nfs/dbraw/zinc/76/81/41/1017768141.db2.gz UPWYCQYFJQCRFF-UHFFFAOYSA-N -1 0 305.342 -0.582 20 0 DBADRM Cn1cnc(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)cc1=O ZINC001600986724 1017768355 /nfs/dbraw/zinc/76/83/55/1017768355.db2.gz AOFMFGAQNRJEPI-UHFFFAOYSA-N -1 0 303.278 -0.559 20 0 DBADRM Cn1ccnc1[C@H]1CCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001600984688 1017768850 /nfs/dbraw/zinc/76/88/50/1017768850.db2.gz RVEWDWWJSLPQQP-IUCAKERBSA-N -1 0 312.301 -0.725 20 0 DBADRM Cn1ccn2c(CN3CCOC[C@@H]3CC(=O)[O-])nnc2c1=O ZINC001600980948 1017769063 /nfs/dbraw/zinc/76/90/63/1017769063.db2.gz LVTFTURCEKSALH-VIFPVBQESA-N -1 0 307.310 -0.897 20 0 DBADRM Cn1ccnc1CCC(=O)NCCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600985384 1017769502 /nfs/dbraw/zinc/76/95/02/1017769502.db2.gz JWUZPQZKWLGHET-MNOVXSKESA-N -1 0 322.365 -0.304 20 0 DBADRM Cn1ccnc(NC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)c1=O ZINC001600981136 1017769541 /nfs/dbraw/zinc/76/95/41/1017769541.db2.gz NHFHWRHWOLNNBG-WDSKDSINSA-N -1 0 302.237 -0.132 20 0 DBADRM Cn1cnc(NC(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)n1 ZINC001600989545 1017770083 /nfs/dbraw/zinc/77/00/83/1017770083.db2.gz LXRVHZYIXUVTCX-UHFFFAOYSA-N -1 0 319.277 -0.144 20 0 DBADRM Cn1ccc([C@@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C(=O)[O-])n1 ZINC001600989460 1017771011 /nfs/dbraw/zinc/77/10/11/1017771011.db2.gz MSWSRFMULDHVKY-RDDDGLTNSA-N -1 0 304.310 -0.100 20 0 DBADRM Cn1cnc(/C=C/C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1 ZINC001600989626 1017771186 /nfs/dbraw/zinc/77/11/86/1017771186.db2.gz AIACWJZSUJUOON-NSCUHMNNSA-N -1 0 302.294 -0.194 20 0 DBADRM Cn1cnc(S(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-])c1Cl ZINC001600991236 1017771254 /nfs/dbraw/zinc/77/12/54/1017771254.db2.gz XRGVTUFMTBVKTL-RXMQYKEDSA-N -1 0 311.747 -0.424 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@H](CCC2OCCO2)C(=O)[O-])c1 ZINC001600990804 1017771306 /nfs/dbraw/zinc/77/13/06/1017771306.db2.gz CDBHPQPKPLZDIY-MRVPVSSYSA-N -1 0 319.339 -0.695 20 0 DBADRM Cn1cnc(NC(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)n1 ZINC001600989759 1017772017 /nfs/dbraw/zinc/77/20/17/1017772017.db2.gz QTYOHLHFAVJYSP-QMMMGPOBSA-N -1 0 307.310 -0.533 20 0 DBADRM Cn1cnc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001600987741 1017772049 /nfs/dbraw/zinc/77/20/49/1017772049.db2.gz TYWZXKJWNZPQKH-GWOFURMSSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1cnc(CCCNS(=O)(=O)CC2(CC(=O)[O-])CC2)n1 ZINC001600990410 1017772642 /nfs/dbraw/zinc/77/26/42/1017772642.db2.gz RRTLVFWLKHYJBO-UHFFFAOYSA-N -1 0 316.383 -0.078 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC001600987120 1017773251 /nfs/dbraw/zinc/77/32/51/1017773251.db2.gz UVOAUNVVIKWWGL-MNOVXSKESA-N -1 0 308.338 -0.299 20 0 DBADRM Cn1cnc2cccc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])c21 ZINC001600993261 1017773833 /nfs/dbraw/zinc/77/38/33/1017773833.db2.gz KHUHVXIXDMASQB-NSHDSACASA-N -1 0 316.317 -0.011 20 0 DBADRM Cn1cnnc1S(=O)(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001600995237 1017774951 /nfs/dbraw/zinc/77/49/51/1017774951.db2.gz NPYZGQCEGNPWNS-UHFFFAOYSA-N -1 0 310.335 -0.079 20 0 DBADRM Cn1cnnc1[C@H](CO)NS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001600994174 1017775550 /nfs/dbraw/zinc/77/55/50/1017775550.db2.gz CBCFGCUFNYVDTE-QMMMGPOBSA-N -1 0 318.355 -0.977 20 0 DBADRM Cn1cncc1CCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001600993453 1017775614 /nfs/dbraw/zinc/77/56/14/1017775614.db2.gz PCKWSYRLRSMGQC-JTQLQIEISA-N -1 0 315.351 -0.937 20 0 DBADRM Cn1cnc2cc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])ccc21 ZINC001600992561 1017776205 /nfs/dbraw/zinc/77/62/05/1017776205.db2.gz ARBYJTDMERSFEJ-GFCCVEGCSA-N -1 0 313.335 -0.313 20 0 DBADRM Cn1cnnc1[C@@H](CO)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001600994117 1017776227 /nfs/dbraw/zinc/77/62/27/1017776227.db2.gz BHLCEXUFJCSIPJ-LLVKDONJSA-N -1 0 304.306 -0.094 20 0 DBADRM Cn1cncc1CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600993775 1017776875 /nfs/dbraw/zinc/77/68/75/1017776875.db2.gz VYCILHXYISMLLE-NEPJUHHUSA-N -1 0 320.349 -0.646 20 0 DBADRM Cn1cnnc1COCC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001600996262 1017778072 /nfs/dbraw/zinc/77/80/72/1017778072.db2.gz VAONHIBICHTWLR-NSHDSACASA-N -1 0 300.340 -0.592 20 0 DBADRM Cn1cnnc1[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])nn2C)C1 ZINC001600996343 1017778430 /nfs/dbraw/zinc/77/84/30/1017778430.db2.gz NARCQQJQOHUNCS-MRVPVSSYSA-N -1 0 304.310 -0.124 20 0 DBADRM Cn1nc(Br)cc1NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600998591 1017779017 /nfs/dbraw/zinc/77/90/17/1017779017.db2.gz BONKRGXDDMOZOJ-UHFFFAOYSA-N -1 0 319.115 -0.154 20 0 DBADRM Cn1cnnc1CNC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CCC1 ZINC001600996495 1017779283 /nfs/dbraw/zinc/77/92/83/1017779283.db2.gz WVLGTEQJQULMDY-VHSXEESVSA-N -1 0 307.354 -0.336 20 0 DBADRM Cn1cnn(CC(=O)NCCc2ccccc2C(=O)[O-])c1=O ZINC001600995553 1017780099 /nfs/dbraw/zinc/78/00/99/1017780099.db2.gz LOTUOCUXZOEBIC-UHFFFAOYSA-N -1 0 304.306 -0.361 20 0 DBADRM Cn1cnnc1[C@H]1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001600995776 1017780225 /nfs/dbraw/zinc/78/02/25/1017780225.db2.gz BCPVXMFFGUGBGL-LPEHRKFASA-N -1 0 314.367 -0.203 20 0 DBADRM Cn1cnn(CC(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])c1=O ZINC001600995379 1017780453 /nfs/dbraw/zinc/78/04/53/1017780453.db2.gz KDBAGCXKNRHKBF-NSHDSACASA-N -1 0 319.321 -0.964 20 0 DBADRM Cn1cnnc1CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC001600996114 1017780580 /nfs/dbraw/zinc/78/05/80/1017780580.db2.gz JOPBLDZMGLTSMK-WDEREUQCSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC001601003106 1017781214 /nfs/dbraw/zinc/78/12/14/1017781214.db2.gz TVISRLIZMYHGOT-MRVPVSSYSA-N -1 0 316.339 -0.519 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)N1CCN2C(=O)N=NC2C1 ZINC001601004040 1017781494 /nfs/dbraw/zinc/78/14/94/1017781494.db2.gz GNQKMGLTSIVIHN-UHFFFAOYSA-N -1 0 307.270 -0.537 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)NC1CCS(=O)(=O)CC1 ZINC001601004165 1017781969 /nfs/dbraw/zinc/78/19/69/1017781969.db2.gz KYHKYCUXTSVPRD-UHFFFAOYSA-N -1 0 316.339 -0.183 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC001601003107 1017782301 /nfs/dbraw/zinc/78/23/01/1017782301.db2.gz TVISRLIZMYHGOT-QMMMGPOBSA-N -1 0 316.339 -0.519 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC001601004309 1017782917 /nfs/dbraw/zinc/78/29/17/1017782917.db2.gz POGBVXDAFMAGLB-VIFPVBQESA-N -1 0 309.326 -0.333 20 0 DBADRM Cn1nc(C2CC2)cc1NC(=O)C(=O)NCCOCC(=O)[O-] ZINC001601012662 1017783466 /nfs/dbraw/zinc/78/34/66/1017783466.db2.gz FMJCULCOMGRFBH-UHFFFAOYSA-N -1 0 310.310 -0.547 20 0 DBADRM CCCC1(C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001498402468 1017784028 /nfs/dbraw/zinc/78/40/28/1017784028.db2.gz ZCLMWHGGRGZAFM-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM Cn1nc(C2CC2)cc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001601013150 1017784118 /nfs/dbraw/zinc/78/41/18/1017784118.db2.gz OIVWGYSSWWMBOH-SNVBAGLBSA-N -1 0 315.351 -0.228 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC001601022952 1017785091 /nfs/dbraw/zinc/78/50/91/1017785091.db2.gz JBRVOBHFFPLKQN-BDAKNGLRSA-N -1 0 324.337 -0.276 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCC1(CCO)CC1 ZINC001601023838 1017785785 /nfs/dbraw/zinc/78/57/85/1017785785.db2.gz VBPPQCNDFPIPIE-UHFFFAOYSA-N -1 0 310.310 -0.664 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCN1CC=CC1 ZINC001601022835 1017786199 /nfs/dbraw/zinc/78/61/99/1017786199.db2.gz IQGAHAWGXVOFAH-UHFFFAOYSA-N -1 0 307.310 -0.955 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N[C@H](CO)CC1CC1 ZINC001601021872 1017786604 /nfs/dbraw/zinc/78/66/04/1017786604.db2.gz MVQWYLGDTGEUML-QMMMGPOBSA-N -1 0 310.310 -0.666 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCOCC2(CC2)C1 ZINC001601022227 1017786949 /nfs/dbraw/zinc/78/69/49/1017786949.db2.gz UFTQBUMCBGBSGD-UHFFFAOYSA-N -1 0 322.321 -0.304 20 0 DBADRM Cn1ncc(C(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)c1N ZINC001601024799 1017787120 /nfs/dbraw/zinc/78/71/20/1017787120.db2.gz FUDHDXMEFWKYMD-VIFPVBQESA-N -1 0 310.310 -0.375 20 0 DBADRM Cn1ncc(C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001601022175 1017787296 /nfs/dbraw/zinc/78/72/96/1017787296.db2.gz ZRKZCAWNKJCSHQ-NXEZZACHSA-N -1 0 321.337 -0.743 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2CCN(c3ncc(C(=O)[O-])cn3)C2)n1 ZINC001601021886 1017787627 /nfs/dbraw/zinc/78/76/27/1017787627.db2.gz RATGKYPTYDFENP-VIFPVBQESA-N -1 0 317.309 -0.688 20 0 DBADRM Cn1nccc1C(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001601031670 1017788944 /nfs/dbraw/zinc/78/89/44/1017788944.db2.gz JZYUVLSLKHLDRD-KYZUINATSA-N -1 0 316.321 -0.297 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)NC[C@H]1C[C@H]1C(=O)[O-])[nH]c2=O ZINC001601029569 1017790176 /nfs/dbraw/zinc/79/01/76/1017790176.db2.gz IPSPZJBQNAISRY-HTQZYQBOSA-N -1 0 319.321 -0.162 20 0 DBADRM Cn1ncc(CCCNS(=O)(=O)CC2(C(=O)[O-])CCC2)n1 ZINC001601026475 1017791378 /nfs/dbraw/zinc/79/13/78/1017791378.db2.gz YZOXGUVKPNTATN-UHFFFAOYSA-N -1 0 316.383 -0.078 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@H]1CCc2nnnn2CC1)C(=O)[O-] ZINC001601032946 1017791910 /nfs/dbraw/zinc/79/19/10/1017791910.db2.gz NRNLMZGMXOROPC-KWQFWETISA-N -1 0 319.325 -0.699 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CCCCCNC(N)=O)C(=O)[O-] ZINC001601032913 1017792408 /nfs/dbraw/zinc/79/24/08/1017792408.db2.gz NBCCZUUVVLCYKC-LLVKDONJSA-N -1 0 311.342 -0.109 20 0 DBADRM Cn1nccc1[C@@H]1COCCN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001601038370 1017794416 /nfs/dbraw/zinc/79/44/16/1017794416.db2.gz UBPAEHGJXCAABR-LBPRGKRZSA-N -1 0 319.321 -0.085 20 0 DBADRM Cn1ncnc1CN1CCC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601038692 1017794992 /nfs/dbraw/zinc/79/49/92/1017794992.db2.gz HYAISJOUKHFZRP-GHMZBOCLSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1nccc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001601038070 1017795271 /nfs/dbraw/zinc/79/52/71/1017795271.db2.gz OVNFTAXKDZPXFV-CNVPUSNMSA-N -1 0 320.349 -0.553 20 0 DBADRM Cn1nccc1NC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001601038201 1017795453 /nfs/dbraw/zinc/79/54/53/1017795453.db2.gz XREGXWOGLLVKMY-JTQLQIEISA-N -1 0 310.310 -0.957 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001601041269 1017797684 /nfs/dbraw/zinc/79/76/84/1017797684.db2.gz ZSIRDXWJLZMFEK-VIFPVBQESA-N -1 0 315.293 -0.488 20 0 DBADRM Cn1nncc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001601042097 1017797726 /nfs/dbraw/zinc/79/77/26/1017797726.db2.gz HOZFHKYEODALLI-RGOKHQFPSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1nnc(C(=O)N2CCN(CC(=O)[O-])CC2)c1C(F)(F)F ZINC001601039857 1017797918 /nfs/dbraw/zinc/79/79/18/1017797918.db2.gz SJCRXNFWNUODPO-UHFFFAOYSA-N -1 0 321.259 -0.324 20 0 DBADRM Cn1nnc2c1nccc2C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601040750 1017798005 /nfs/dbraw/zinc/79/80/05/1017798005.db2.gz HPMDZARGEUZGQJ-GMSGAONNSA-N -1 0 305.294 -0.417 20 0 DBADRM Cn1nnc(CNC(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)n1 ZINC001601040874 1017798029 /nfs/dbraw/zinc/79/80/29/1017798029.db2.gz TYDNTNUFZBTKBB-XQVHRTOBSA-N -1 0 324.341 -0.578 20 0 DBADRM Cn1nncc1C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001601042258 1017798337 /nfs/dbraw/zinc/79/83/37/1017798337.db2.gz LGJMPPMNSNGMCG-UHFFFAOYSA-N -1 0 317.305 -0.189 20 0 DBADRM Cn1nnc(C(=O)N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)n1 ZINC001601039789 1017798469 /nfs/dbraw/zinc/79/84/69/1017798469.db2.gz PWYSYGLTNLVXIW-CYBMUJFWSA-N -1 0 309.326 -0.568 20 0 DBADRM Cn1nnc(CNC(=O)NCc2cccc(OCC(=O)[O-])c2)n1 ZINC001601040367 1017798672 /nfs/dbraw/zinc/79/86/72/1017798672.db2.gz CNXXWXYQPZFEGO-UHFFFAOYSA-N -1 0 320.309 -0.327 20 0 DBADRM Cn1nncc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001601042094 1017798944 /nfs/dbraw/zinc/79/89/44/1017798944.db2.gz HOZFHKYEODALLI-QCLAVDOMSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1nnc(CNS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC001601040494 1017799717 /nfs/dbraw/zinc/79/97/17/1017799717.db2.gz KGCFDIYSDROHIX-YUMQZZPRSA-N -1 0 303.344 -0.727 20 0 DBADRM Cn1nncc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001601042098 1017800073 /nfs/dbraw/zinc/80/00/73/1017800073.db2.gz HOZFHKYEODALLI-UTINFBMNSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1nnc2ccc(C(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)cc21 ZINC001601041288 1017800116 /nfs/dbraw/zinc/80/01/16/1017800116.db2.gz APHYHMTZQOSPGQ-NXEZZACHSA-N -1 0 304.306 -0.124 20 0 DBADRM Cn1nnc2cc(C(=O)N3CCC[C@@H](O)[C@@H]3C(=O)[O-])cnc21 ZINC001601044004 1017800486 /nfs/dbraw/zinc/80/04/86/1017800486.db2.gz WEROGLNQQPKZLB-NXEZZACHSA-N -1 0 305.294 -0.587 20 0 DBADRM Cn1nnc2cc(C(=O)N3CCC([C@H](O)C(=O)[O-])CC3)cnc21 ZINC001601042543 1017800579 /nfs/dbraw/zinc/80/05/79/1017800579.db2.gz FCUQKPICPPQHLH-NSHDSACASA-N -1 0 319.321 -0.339 20 0 DBADRM Cn1nnnc1CCCNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001601044423 1017800600 /nfs/dbraw/zinc/80/06/00/1017800600.db2.gz WACKYRYKQKWVRI-UHFFFAOYSA-N -1 0 303.344 -0.931 20 0 DBADRM Cn1nncc1NC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001601045223 1017801051 /nfs/dbraw/zinc/80/10/51/1017801051.db2.gz XPEXTJYCBNWLIA-CYBMUJFWSA-N -1 0 324.341 -0.792 20 0 DBADRM Cn1nnc2c1CC[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C2 ZINC001601042564 1017801140 /nfs/dbraw/zinc/80/11/40/1017801140.db2.gz FVEATQPBYRWGKK-QMMMGPOBSA-N -1 0 316.383 -0.297 20 0 DBADRM Cn1nncc1C(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001601042709 1017801257 /nfs/dbraw/zinc/80/12/57/1017801257.db2.gz SKLHORYRSSTAAE-QMMMGPOBSA-N -1 0 317.309 -0.948 20 0 DBADRM Cn1nnnc1CNC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCCC1 ZINC001601047235 1017801565 /nfs/dbraw/zinc/80/15/65/1017801565.db2.gz ZXNCEJWKNKOFMN-UWVGGRQHSA-N -1 0 322.369 -0.551 20 0 DBADRM Cn1nnnc1CN1CCC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601046992 1017801902 /nfs/dbraw/zinc/80/19/02/1017801902.db2.gz WPGOISBSJRNFIZ-NXEZZACHSA-N -1 0 308.342 -0.989 20 0 DBADRM NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ncc(C(=O)[O-])cn1)C2 ZINC001601137302 1017807630 /nfs/dbraw/zinc/80/76/30/1017807630.db2.gz MWEUQCCBEDAJTL-SFGNSQDASA-N -1 0 319.321 -0.866 20 0 DBADRM NC(=O)C(=O)NC1CCC(Nc2ncc(C(=O)[O-])cn2)CC1 ZINC001601136809 1017808118 /nfs/dbraw/zinc/80/81/18/1017808118.db2.gz FZSIPFWBDSCNMI-UHFFFAOYSA-N -1 0 307.310 -0.501 20 0 DBADRM NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001601139063 1017808674 /nfs/dbraw/zinc/80/86/74/1017808674.db2.gz QNSCACUPIRWWQM-UTUOFQBUSA-N -1 0 306.318 -0.169 20 0 DBADRM NC(=O)C1(NC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1 ZINC001601139692 1017808761 /nfs/dbraw/zinc/80/87/61/1017808761.db2.gz XWSUPXXBHREBEH-UHFFFAOYSA-N -1 0 305.290 -0.614 20 0 DBADRM NC(=O)C(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CCCCC1 ZINC001601137453 1017809350 /nfs/dbraw/zinc/80/93/50/1017809350.db2.gz RIGISIYMUOQSGO-UHFFFAOYSA-N -1 0 321.337 -0.109 20 0 DBADRM NC(=O)C1(C(=O)N[C@@H]2CCN(c3ncc(C(=O)[O-])cn3)C2)CC1 ZINC001601138802 1017809358 /nfs/dbraw/zinc/80/93/58/1017809358.db2.gz DBRPRAHPQUUZAP-SECBINFHSA-N -1 0 319.321 -0.865 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601141779 1017809754 /nfs/dbraw/zinc/80/97/54/1017809754.db2.gz QLINYCQNCHYFRO-DAWVFNFOSA-N -1 0 316.379 -0.235 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)Nc2ccc(C(=O)[O-])nc2)O1 ZINC001601143018 1017810013 /nfs/dbraw/zinc/81/00/13/1017810013.db2.gz WYBOJMFVIMDKJY-PSASIEDQSA-N -1 0 308.294 -0.066 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)O1 ZINC001601142143 1017810024 /nfs/dbraw/zinc/81/00/24/1017810024.db2.gz HPGUFMSATPQROF-LNFKQOIKSA-N -1 0 314.338 -0.452 20 0 DBADRM NC(=O)[C@H]1CC(C(=O)NC[C@H](F)C(=O)[O-])=NN1c1ccccc1 ZINC001601140416 1017810393 /nfs/dbraw/zinc/81/03/93/1017810393.db2.gz AROWGFBOGYOGNQ-GXSJLCMTSA-N -1 0 322.296 -0.355 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001601140831 1017810420 /nfs/dbraw/zinc/81/04/20/1017810420.db2.gz DLJDVUJQKOWUKA-RNSXUZJQSA-N -1 0 307.310 -0.911 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)CC2(C(=O)[O-])CCC2)O1 ZINC001601142952 1017810533 /nfs/dbraw/zinc/81/05/33/1017810533.db2.gz VTCKCHWTFXZMKC-RKDXNWHRSA-N -1 0 320.367 -0.806 20 0 DBADRM NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001601143959 1017810722 /nfs/dbraw/zinc/81/07/22/1017810722.db2.gz LAKZIUDDYPWHHU-MRVPVSSYSA-N -1 0 313.335 -0.334 20 0 DBADRM NC(=O)[C@@H]1C[NH+](Cc2ccc(C(=O)[O-])cc2F)C[C@H]1C(N)=O ZINC001601146108 1017810852 /nfs/dbraw/zinc/81/08/52/1017810852.db2.gz MMQUCWKMLBKTKA-NXEZZACHSA-N -1 0 309.297 -0.458 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)NCCc2cccc(C(=O)[O-])c2)CCO1 ZINC001601145229 1017811023 /nfs/dbraw/zinc/81/10/23/1017811023.db2.gz ACJHRWAHHMLKLB-GFCCVEGCSA-N -1 0 321.333 -0.177 20 0 DBADRM NC(=O)CC(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601145353 1017811032 /nfs/dbraw/zinc/81/10/32/1017811032.db2.gz FWMCDCJPQRVGDH-MNOVXSKESA-N -1 0 323.349 -0.753 20 0 DBADRM NC(=O)C[C@H](NC(=O)c1cc(C(=O)[O-])no1)C1CCOCC1 ZINC001601145118 1017811047 /nfs/dbraw/zinc/81/10/47/1017811047.db2.gz COTYANDLRPPNQU-QMMMGPOBSA-N -1 0 311.294 -0.227 20 0 DBADRM NC(=O)[C@@H]1CN(Cn2ncc3cc(C(=O)[O-])ccc32)CCO1 ZINC001601145285 1017811071 /nfs/dbraw/zinc/81/10/71/1017811071.db2.gz CPODGMYAVRHWOM-LBPRGKRZSA-N -1 0 304.306 -0.122 20 0 DBADRM NC(=O)[C@@H]1CSCCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001601145272 1017811125 /nfs/dbraw/zinc/81/11/25/1017811125.db2.gz BQSRWPCAWCECRK-QMMMGPOBSA-N -1 0 322.408 -0.526 20 0 DBADRM CCn1nc(C)c(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001498470309 1017811209 /nfs/dbraw/zinc/81/12/09/1017811209.db2.gz PNTIJAMXRRDWKT-MRVPVSSYSA-N -1 0 322.373 -0.320 20 0 DBADRM NC(=O)[C@@H]1CN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)CCO1 ZINC001601145685 1017811270 /nfs/dbraw/zinc/81/12/70/1017811270.db2.gz IVSINOALNOJAGD-NSHDSACASA-N -1 0 304.306 -0.053 20 0 DBADRM NC(=O)[C@H]1CCC[C@H](C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001601143936 1017811354 /nfs/dbraw/zinc/81/13/54/1017811354.db2.gz DPHBZNIUBAHNNW-UWVGGRQHSA-N -1 0 313.354 -0.625 20 0 DBADRM NC(=O)[C@H]1CN(Cn2ncc3cc(C(=O)[O-])ccc32)CCO1 ZINC001601145284 1017811549 /nfs/dbraw/zinc/81/15/49/1017811549.db2.gz CPODGMYAVRHWOM-GFCCVEGCSA-N -1 0 304.306 -0.122 20 0 DBADRM NC(=O)C[C@@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])n2)CCO1 ZINC001601148032 1017811875 /nfs/dbraw/zinc/81/18/75/1017811875.db2.gz JFDPJURIOSPDAC-SECBINFHSA-N -1 0 322.321 -0.706 20 0 DBADRM NC(=O)C[C@@H]1CCCN(S(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001601148795 1017811961 /nfs/dbraw/zinc/81/19/61/1017811961.db2.gz VJEQMLGLUKFAID-VIFPVBQESA-N -1 0 304.368 -0.232 20 0 DBADRM NC(=O)C[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CCO1 ZINC001601148471 1017812213 /nfs/dbraw/zinc/81/22/13/1017812213.db2.gz OEABODLNZWFNJF-VIFPVBQESA-N -1 0 320.367 -0.853 20 0 DBADRM NC(=O)[C@H]1CN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CCO1 ZINC001601146299 1017812587 /nfs/dbraw/zinc/81/25/87/1017812587.db2.gz PWBARWCJGXXGPF-LLVKDONJSA-N -1 0 307.306 -0.491 20 0 DBADRM NC(=O)CC(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCCC1 ZINC001601146406 1017812610 /nfs/dbraw/zinc/81/26/10/1017812610.db2.gz SKOKIQUQUZMJMB-IUCAKERBSA-N -1 0 311.338 -0.872 20 0 DBADRM NC(=O)[C@H]1CCC[C@@H](C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001601146616 1017812736 /nfs/dbraw/zinc/81/27/36/1017812736.db2.gz YIOYOEPIXWKMMF-DTWKUNHWSA-N -1 0 309.326 -0.616 20 0 DBADRM NC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001601146637 1017812824 /nfs/dbraw/zinc/81/28/24/1017812824.db2.gz YOFBKDNDFBMCGW-QMMMGPOBSA-N -1 0 320.305 -0.558 20 0 DBADRM NC(=O)C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CCO1 ZINC001601149363 1017813046 /nfs/dbraw/zinc/81/30/46/1017813046.db2.gz XMBNEIAPBQWTOB-MRVPVSSYSA-N -1 0 318.307 -0.757 20 0 DBADRM NC(=O)CN1CCN(Cc2ccccc2OCC(=O)[O-])CC1=O ZINC001601151197 1017813627 /nfs/dbraw/zinc/81/36/27/1017813627.db2.gz SYQWNOJYJDBYLD-UHFFFAOYSA-N -1 0 321.333 -0.721 20 0 DBADRM NC(=O)CCNC(=O)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001601150258 1017813870 /nfs/dbraw/zinc/81/38/70/1017813870.db2.gz NYSATARFYJSLIN-UHFFFAOYSA-N -1 0 315.232 -0.407 20 0 DBADRM NC(=O)NC(=O)CN1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001601155974 1017814315 /nfs/dbraw/zinc/81/43/15/1017814315.db2.gz PLQVFFZTVQOMCI-UHFFFAOYSA-N -1 0 312.351 -0.237 20 0 DBADRM NC(=O)Cn1cc(NC(=O)c2csc(C(=O)[O-])n2)ccc1=O ZINC001601154637 1017814490 /nfs/dbraw/zinc/81/44/90/1017814490.db2.gz QSVZESKLXIZKLT-UHFFFAOYSA-N -1 0 322.302 -0.259 20 0 DBADRM NC(=O)N1CCC[C@@H](CNC(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001601155387 1017814516 /nfs/dbraw/zinc/81/45/16/1017814516.db2.gz RJRNVKFCHDKFPK-VIFPVBQESA-N -1 0 309.326 -0.512 20 0 DBADRM NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001601154896 1017814836 /nfs/dbraw/zinc/81/48/36/1017814836.db2.gz AKWNWWIAHVQJPU-SCZZXKLOSA-N -1 0 322.325 -0.707 20 0 DBADRM NC(=O)COc1cccc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)c1 ZINC001601152528 1017814888 /nfs/dbraw/zinc/81/48/88/1017814888.db2.gz RIANECHMGBJTHY-DEZZCRIOSA-N -1 0 308.290 -0.741 20 0 DBADRM NC(=O)CNC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1 ZINC001601153068 1017815016 /nfs/dbraw/zinc/81/50/16/1017815016.db2.gz ZLGFFDRCSRTUMB-UHFFFAOYSA-N -1 0 318.289 -0.992 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])O1 ZINC001601157122 1017815389 /nfs/dbraw/zinc/81/53/89/1017815389.db2.gz OCLSMFGMEUPVFX-MXWKQRLJSA-N -1 0 324.337 -0.665 20 0 DBADRM NC(=O)N[C@H]1CCN(C(=O)Nc2cccc(CC(=O)[O-])n2)C1 ZINC001601157737 1017815449 /nfs/dbraw/zinc/81/54/49/1017815449.db2.gz GDAPOGBNCHPEQK-VIFPVBQESA-N -1 0 307.310 -0.017 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CC[C@](F)(C(=O)[O-])C2)O1 ZINC001601156989 1017815590 /nfs/dbraw/zinc/81/55/90/1017815590.db2.gz LGVDMDXBYHKOLF-VYUIOLGVSA-N -1 0 302.302 -0.175 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001601157874 1017815647 /nfs/dbraw/zinc/81/56/47/1017815647.db2.gz HGKVBUKKDXQDJL-LLVKDONJSA-N -1 0 307.306 -0.701 20 0 DBADRM NC(=O)NCCC(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001601158282 1017815675 /nfs/dbraw/zinc/81/56/75/1017815675.db2.gz VFMGCVRWFBFNDL-GFCCVEGCSA-N -1 0 307.306 -0.078 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCSC[C@@H]2C(=O)[O-])O1 ZINC001601156901 1017815974 /nfs/dbraw/zinc/81/59/74/1017815974.db2.gz IMHXNXXCZJFIPJ-BBBLOLIVSA-N -1 0 316.379 -0.172 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])s1 ZINC001601162614 1017816571 /nfs/dbraw/zinc/81/65/71/1017816571.db2.gz DRHAZVVDMBNQMC-ZETCQYMHSA-N -1 0 308.319 -0.073 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1 ZINC001601160254 1017816607 /nfs/dbraw/zinc/81/66/07/1017816607.db2.gz HGTDKULLQRQASE-WRXNHJIOSA-N -1 0 323.280 -0.158 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)NC/C=C/CNc1ncc(C(=O)[O-])cn1 ZINC001601159162 1017816736 /nfs/dbraw/zinc/81/67/36/1017816736.db2.gz CRLQWDSEYKJINT-HXNLBGINSA-N -1 0 319.321 -0.620 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])O1 ZINC001601159954 1017816807 /nfs/dbraw/zinc/81/68/07/1017816807.db2.gz RYXQGBRRBWZWGQ-DBIOUOCHSA-N -1 0 314.338 -0.595 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])s1 ZINC001601162613 1017816811 /nfs/dbraw/zinc/81/68/11/1017816811.db2.gz DRHAZVVDMBNQMC-SSDOTTSWSA-N -1 0 308.319 -0.073 20 0 DBADRM NC(=O)[C@H](CO)NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001601159506 1017816896 /nfs/dbraw/zinc/81/68/96/1017816896.db2.gz WUNKQMNYZDZLRL-JTQLQIEISA-N -1 0 305.290 -0.629 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)nc1Cl ZINC001601162706 1017817194 /nfs/dbraw/zinc/81/71/94/1017817194.db2.gz JDSZIOCRGHBZNR-GFCCVEGCSA-N -1 0 313.697 -0.193 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)c1 ZINC001601164338 1017817553 /nfs/dbraw/zinc/81/75/53/1017817553.db2.gz YTHVUYAYZHJINF-SNVBAGLBSA-N -1 0 323.305 -0.264 20 0 DBADRM NC(=O)c1ccc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)nc1 ZINC001601166864 1017817590 /nfs/dbraw/zinc/81/75/90/1017817590.db2.gz XQHAHHABTQTWFV-OAHLLOKOSA-N -1 0 320.349 -0.454 20 0 DBADRM NC(=O)c1ccc(N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)nc1 ZINC001601166150 1017818278 /nfs/dbraw/zinc/81/82/78/1017818278.db2.gz FIUIIBGFSHRVBM-VIFPVBQESA-N -1 0 302.294 -0.078 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@@]2(CC(=O)[O-])CCOC2)S1 ZINC001601178740 1017820011 /nfs/dbraw/zinc/82/00/11/1017820011.db2.gz XGQCWJTXDUKZFZ-UPONEAKYSA-N -1 0 301.324 -0.707 20 0 DBADRM NC(=O)c1ccc(CCC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001601166044 1017818358 /nfs/dbraw/zinc/81/83/58/1017818358.db2.gz XZVJUZSENQZTKS-NEPJUHHUSA-N -1 0 306.318 -0.236 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1 ZINC001601164149 1017818412 /nfs/dbraw/zinc/81/84/12/1017818412.db2.gz JUVAUYPWODLMFQ-SNVBAGLBSA-N -1 0 307.306 -0.575 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)c1 ZINC001601168379 1017818487 /nfs/dbraw/zinc/81/84/87/1017818487.db2.gz QNMCMWNWEZIJBS-UHFFFAOYSA-N -1 0 305.290 -0.153 20 0 DBADRM NC(=O)c1coc(CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)n1 ZINC001601170794 1017818704 /nfs/dbraw/zinc/81/87/04/1017818704.db2.gz LLPBTEHUIVCDRI-JGVFFNPUSA-N -1 0 311.294 -0.340 20 0 DBADRM NC(=O)c1csc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)n1 ZINC001601172324 1017818857 /nfs/dbraw/zinc/81/88/57/1017818857.db2.gz PQCUBNZFHNZYHU-JTQLQIEISA-N -1 0 300.296 -0.705 20 0 DBADRM NC(=O)c1csc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)n1 ZINC001601172327 1017819178 /nfs/dbraw/zinc/81/91/78/1017819178.db2.gz PQCUBNZFHNZYHU-SNVBAGLBSA-N -1 0 300.296 -0.705 20 0 DBADRM NC(=O)c1ncn(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)n1 ZINC001601173100 1017819231 /nfs/dbraw/zinc/81/92/31/1017819231.db2.gz HTCQOHJXKLCIBG-GUBZILKMSA-N -1 0 321.337 -0.521 20 0 DBADRM NC(=O)c1nccnc1C(=O)NCc1ncc(C(=O)[O-])s1 ZINC001601172505 1017819324 /nfs/dbraw/zinc/81/93/24/1017819324.db2.gz SCMISVUNEBUOKE-UHFFFAOYSA-N -1 0 307.291 -0.340 20 0 DBADRM NC(=O)c1ncn(CC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)n1 ZINC001601173084 1017819552 /nfs/dbraw/zinc/81/95/52/1017819552.db2.gz GYDBSFZTMSIMBP-OQPBUACISA-N -1 0 307.310 -0.767 20 0 DBADRM NC(=O)c1cn(CCOC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)nn1 ZINC001601170110 1017819644 /nfs/dbraw/zinc/81/96/44/1017819644.db2.gz PYZOJYNLNGPKJE-IUCAKERBSA-N -1 0 310.310 -0.189 20 0 DBADRM NC(=O)c1ncn(CC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])n1 ZINC001601174210 1017820703 /nfs/dbraw/zinc/82/07/03/1017820703.db2.gz UYDOEDXFIFMDDZ-SNVBAGLBSA-N -1 0 323.353 -0.083 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001601192004 1017822135 /nfs/dbraw/zinc/82/21/35/1017822135.db2.gz GEHFEVNIDRVPQA-ZETCQYMHSA-N -1 0 314.323 -0.326 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001601192348 1017822195 /nfs/dbraw/zinc/82/21/95/1017822195.db2.gz LLNSKPBAQHDIJU-ARHDFHRDSA-N -1 0 317.367 -0.688 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC001601191830 1017823004 /nfs/dbraw/zinc/82/30/04/1017823004.db2.gz CQXKPTZRYXSVNO-QMMMGPOBSA-N -1 0 313.335 -0.327 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001601193659 1017823307 /nfs/dbraw/zinc/82/33/07/1017823307.db2.gz FBKZSHXVZQWKHK-BBBLOLIVSA-N -1 0 320.367 -0.854 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001601192928 1017823540 /nfs/dbraw/zinc/82/35/40/1017823540.db2.gz YESVOKHUSVAVNU-VIFPVBQESA-N -1 0 313.335 -0.327 20 0 DBADRM NS(=O)(=O)C1(C(=O)NCC2(C(=O)[O-])CCCCC2)CC1 ZINC001601192841 1017823586 /nfs/dbraw/zinc/82/35/86/1017823586.db2.gz VPGPERYBHACZIL-UHFFFAOYSA-N -1 0 304.368 -0.041 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC001601193301 1017823680 /nfs/dbraw/zinc/82/36/80/1017823680.db2.gz UHOKYJYYYCOIGW-NSHDSACASA-N -1 0 316.335 -0.297 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001601193658 1017823753 /nfs/dbraw/zinc/82/37/53/1017823753.db2.gz FBKZSHXVZQWKHK-AEJSXWLSSA-N -1 0 320.367 -0.854 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccoc2CC(=O)[O-])C1 ZINC001601193656 1017824093 /nfs/dbraw/zinc/82/40/93/1017824093.db2.gz DWFJDYJROWYLPY-MRVPVSSYSA-N -1 0 316.335 -0.343 20 0 DBADRM NS(=O)(=O)c1cc(CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])co1 ZINC001601196981 1017824213 /nfs/dbraw/zinc/82/42/13/1017824213.db2.gz XYFZBOHVHLXVAD-PSASIEDQSA-N -1 0 304.324 -0.663 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H](CCF)C(=O)[O-])nc1 ZINC001601197243 1017824302 /nfs/dbraw/zinc/82/43/02/1017824302.db2.gz SJEKBWHPOVHRRC-MRVPVSSYSA-N -1 0 305.287 -0.728 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])co1 ZINC001601196088 1017824320 /nfs/dbraw/zinc/82/43/20/1017824320.db2.gz NSCJRSKPPNPKOT-MRVPVSSYSA-N -1 0 318.307 -0.757 20 0 DBADRM NS(=O)(=O)NC1CN(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001601195233 1017824334 /nfs/dbraw/zinc/82/43/34/1017824334.db2.gz MBSIIDNFRWWQQI-UHFFFAOYSA-N -1 0 317.298 -0.859 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NC[C@H](F)C(=O)[O-])ccc1F ZINC001601196098 1017824523 /nfs/dbraw/zinc/82/45/23/1017824523.db2.gz NYWRAKZEECHBOZ-ZETCQYMHSA-N -1 0 308.262 -0.374 20 0 DBADRM NS(=O)(=O)c1cc(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)co1 ZINC001601196394 1017824793 /nfs/dbraw/zinc/82/47/93/1017824793.db2.gz GSLDWWILTVFVRF-IUCAKERBSA-N -1 0 304.324 -0.806 20 0 DBADRM NS(=O)(=O)c1cc(CN2C[C@H](O)C[C@H](C(=O)[O-])C2)co1 ZINC001601196393 1017825027 /nfs/dbraw/zinc/82/50/27/1017825027.db2.gz GSLDWWILTVFVRF-DTWKUNHWSA-N -1 0 304.324 -0.806 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1 ZINC001601195363 1017825072 /nfs/dbraw/zinc/82/50/72/1017825072.db2.gz QOZVFSUHGRZAIO-VHSXEESVSA-N -1 0 317.367 -0.809 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cs1 ZINC001601196781 1017825289 /nfs/dbraw/zinc/82/52/89/1017825289.db2.gz RPJNQBKPFHEZBA-IAQIWYKVSA-N -1 0 304.349 -0.012 20 0 DBADRM NS(=O)(=O)c1cccc(NC(=O)Cn2cc(C(=O)[O-])cn2)c1 ZINC001601200344 1017825860 /nfs/dbraw/zinc/82/58/60/1017825860.db2.gz JEDIWLPCFSSQAA-UHFFFAOYSA-N -1 0 324.318 -0.133 20 0 DBADRM NS(=O)(=O)c1ccc(CN2CCC([C@H](O)C(=O)[O-])CC2)o1 ZINC001601198549 1017826122 /nfs/dbraw/zinc/82/61/22/1017826122.db2.gz WRHZHNWBGYHPSE-NSHDSACASA-N -1 0 318.351 -0.416 20 0 DBADRM NS(=O)(=O)c1ccc(CN2CCC[C@@H](O)[C@H]2C(=O)[O-])o1 ZINC001601197865 1017826175 /nfs/dbraw/zinc/82/61/75/1017826175.db2.gz AZNNZUGIINXLSP-SCZZXKLOSA-N -1 0 304.324 -0.663 20 0 DBADRM NS(=O)(=O)c1ccc(N2CC[C@@]3(O)C[C@H]3C2)c(C(=O)[O-])c1 ZINC001601199099 1017826266 /nfs/dbraw/zinc/82/62/66/1017826266.db2.gz WPTSPFFISLBOLE-ISVAXAHUSA-N -1 0 312.347 -0.007 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(C(=O)NC2(C(=O)[O-])CC2)c1 ZINC001601199148 1017826352 /nfs/dbraw/zinc/82/63/52/1017826352.db2.gz LPAWVEVNBCWONK-UHFFFAOYSA-N -1 0 302.283 -0.180 20 0 DBADRM Nc1c(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)cnn1-c1ccccn1 ZINC001601208084 1017826851 /nfs/dbraw/zinc/82/68/51/1017826851.db2.gz FYKRSGZAIHKCGN-XZWHAEGMSA-N -1 0 317.305 -0.443 20 0 DBADRM Nc1ccc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)c(F)c1 ZINC001601216722 1017826888 /nfs/dbraw/zinc/82/68/88/1017826888.db2.gz OEIICTYXQOEJCU-UHFFFAOYSA-N -1 0 317.342 -0.201 20 0 DBADRM Nc1ccccc1S(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001601217464 1017826944 /nfs/dbraw/zinc/82/69/44/1017826944.db2.gz KUNUOLOTZWDYDT-SECBINFHSA-N -1 0 316.335 -0.237 20 0 DBADRM Nc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c(F)c1 ZINC001601216962 1017827058 /nfs/dbraw/zinc/82/70/58/1017827058.db2.gz XOGVIWBABOJKAE-APPZFPTMSA-N -1 0 318.326 -0.136 20 0 DBADRM Nc1nc(Cl)ccc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001601220762 1017827984 /nfs/dbraw/zinc/82/79/84/1017827984.db2.gz ROTCURNIXOVMKX-ZETCQYMHSA-N -1 0 312.713 -0.268 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001601222038 1017828059 /nfs/dbraw/zinc/82/80/59/1017828059.db2.gz IGCPRXLKNBZVGK-HTQZYQBOSA-N -1 0 304.310 -0.365 20 0 DBADRM Nc1ncc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C2CC2)cn1 ZINC001601220977 1017828196 /nfs/dbraw/zinc/82/81/96/1017828196.db2.gz DDDOOLAMVQEQIU-MRVPVSSYSA-N -1 0 300.340 -0.162 20 0 DBADRM Nc1ncc(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cn1 ZINC001601221314 1017828309 /nfs/dbraw/zinc/82/83/09/1017828309.db2.gz UFHUWHHAKBBFLR-LURJTMIESA-N -1 0 308.266 -0.458 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H](O)C1)C2 ZINC001601223263 1017828326 /nfs/dbraw/zinc/82/83/26/1017828326.db2.gz HJUWIZDSCFXKDT-RWSFTLGLSA-N -1 0 310.350 -0.317 20 0 DBADRM Nc1ncn(CC(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])n1 ZINC001601222195 1017828366 /nfs/dbraw/zinc/82/83/66/1017828366.db2.gz MGYBEHSEMPBFFT-SNVBAGLBSA-N -1 0 323.284 -0.352 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001601222330 1017828407 /nfs/dbraw/zinc/82/84/07/1017828407.db2.gz SJUPBAGKIVXPOD-MRVPVSSYSA-N -1 0 320.309 -0.889 20 0 DBADRM Nc1nnc(CC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)s1 ZINC001601224011 1017828455 /nfs/dbraw/zinc/82/84/55/1017828455.db2.gz KYLCLLIUACQSBU-UHFFFAOYSA-N -1 0 308.323 -0.290 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@H](O)C1)C2 ZINC001601223262 1017828646 /nfs/dbraw/zinc/82/86/46/1017828646.db2.gz HJUWIZDSCFXKDT-PGUXBMHVSA-N -1 0 310.350 -0.317 20 0 DBADRM Nc1ncncc1CNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001601222758 1017828766 /nfs/dbraw/zinc/82/87/66/1017828766.db2.gz MTTWZNRPJQOEJN-UHFFFAOYSA-N -1 0 303.278 -0.765 20 0 DBADRM Nc1nc(C(=O)NC2(C(=O)[O-])CCC2)nc(N2CCOCC2)n1 ZINC001601220137 1017828809 /nfs/dbraw/zinc/82/88/09/1017828809.db2.gz TUJPFKRRUKDDEO-UHFFFAOYSA-N -1 0 322.325 -0.973 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)C(=O)c3ccc[nH]3)CC2)CCOC1 ZINC001601225141 1017829012 /nfs/dbraw/zinc/82/90/12/1017829012.db2.gz IDUKYPNELDFIHD-OAHLLOKOSA-N -1 0 321.333 -0.415 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC001601224539 1017829093 /nfs/dbraw/zinc/82/90/93/1017829093.db2.gz OICXJYNZELJIRD-ZJUUUORDSA-N -1 0 302.294 -0.332 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N2CCC(C(F)(F)F)CC2)C1 ZINC001601225128 1017829138 /nfs/dbraw/zinc/82/91/38/1017829138.db2.gz HSLIXTDZFLPFJX-UHFFFAOYSA-N -1 0 324.255 -0.555 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C(=O)N3CC[C@@H](F)C3)C[C@H]1COCC2 ZINC001601224437 1017829404 /nfs/dbraw/zinc/82/94/04/1017829404.db2.gz OGFCRWOIEFNBJZ-IMSIIYSGSA-N -1 0 314.313 -0.494 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)/C=C/CN2CCOCC2)C1(F)F ZINC001601230318 1017829569 /nfs/dbraw/zinc/82/95/69/1017829569.db2.gz ADMMVYKUQOTXGU-QVTLRLSPSA-N -1 0 304.293 -0.043 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC001601225053 1017829578 /nfs/dbraw/zinc/82/95/78/1017829578.db2.gz UWXWPHUVWXRCOY-ZDUSSCGKSA-N -1 0 320.284 -0.286 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC001601227574 1017829912 /nfs/dbraw/zinc/82/99/12/1017829912.db2.gz JTMGPJJNPQORIA-CYBMUJFWSA-N -1 0 319.361 -0.049 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CCO)(NC(=O)CC2CC2)C1 ZINC001601247879 1017830079 /nfs/dbraw/zinc/83/00/79/1017830079.db2.gz IFVTXUMBUXVFKL-MNOVXSKESA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C[C@H]1CNCCS1(=O)=O ZINC001601256921 1017830146 /nfs/dbraw/zinc/83/01/46/1017830146.db2.gz JWOWMBHNVUUHFH-NRUUGDAUSA-N -1 0 316.379 -0.771 20 0 DBADRM O=C(C[C@@H]1CCCS1(=O)=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001601255222 1017830395 /nfs/dbraw/zinc/83/03/95/1017830395.db2.gz HLEDGMKUGZUAOI-OUAUKWLOSA-N -1 0 319.379 -0.193 20 0 DBADRM O=C([O-])c1cnc(CCNC(=O)CC2CS(=O)(=O)C2)s1 ZINC001601257132 1017830471 /nfs/dbraw/zinc/83/04/71/1017830471.db2.gz UNSKDASRCMYGGC-UHFFFAOYSA-N -1 0 318.376 -0.065 20 0 DBADRM O=C(/C=C\COC1CCOCC1)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001601232827 1017830565 /nfs/dbraw/zinc/83/05/65/1017830565.db2.gz TZLOLFQIXMAQLV-BIOMNHJASA-N -1 0 324.337 -0.401 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)C[C@H]2C=CS(=O)(=O)C2)CC1 ZINC001601247811 1017830625 /nfs/dbraw/zinc/83/06/25/1017830625.db2.gz DMTKAPWTTSSMTL-SECBINFHSA-N -1 0 303.336 -0.627 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)C[C@H]2C=CCC2)n1 ZINC001601247794 1017830640 /nfs/dbraw/zinc/83/06/40/1017830640.db2.gz CUEIJTCYWJLSBL-WDEREUQCSA-N -1 0 320.349 -0.158 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)C[C@@H]2C=CS(=O)(=O)C2)CC1 ZINC001601247812 1017830875 /nfs/dbraw/zinc/83/08/75/1017830875.db2.gz DMTKAPWTTSSMTL-VIFPVBQESA-N -1 0 303.336 -0.627 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CCC(=O)Nc2nnc(C3CC3)o2)C1 ZINC001601259276 1017831192 /nfs/dbraw/zinc/83/11/92/1017831192.db2.gz JTFCWKDXQYZVDX-UHFFFAOYSA-N -1 0 324.293 -0.676 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC001601257647 1017831269 /nfs/dbraw/zinc/83/12/69/1017831269.db2.gz YWTMTPAPYRRODE-LLVKDONJSA-N -1 0 319.379 -0.193 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001601268292 1017831980 /nfs/dbraw/zinc/83/19/80/1017831980.db2.gz WLKZMJXIUOFEHA-DBIOUOCHSA-N -1 0 323.349 -0.066 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)CCNC(=O)c1ccco1 ZINC001601277848 1017832299 /nfs/dbraw/zinc/83/22/99/1017832299.db2.gz OUSJDPKLSBEWRP-SECBINFHSA-N -1 0 321.293 -0.739 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)CCc2c[nH]cn2)CC1 ZINC001601286716 1017832567 /nfs/dbraw/zinc/83/25/67/1017832567.db2.gz LEGXTXVAQKDSSX-QWRGUYRKSA-N -1 0 320.349 -0.172 20 0 DBADRM O=C(CCN1CCOC1=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC001601276362 1017832668 /nfs/dbraw/zinc/83/26/68/1017832668.db2.gz AZFFSJWYLBLHEM-LLVKDONJSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCCC(=O)N2CCCCCC2)C1 ZINC001601277812 1017832718 /nfs/dbraw/zinc/83/27/18/1017832718.db2.gz SDTYUWWFJWFKJH-UHFFFAOYSA-N -1 0 313.354 -0.380 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)CCc2ccon2)C1 ZINC001601293285 1017832801 /nfs/dbraw/zinc/83/28/01/1017832801.db2.gz ZXCQTEYPZARFLV-RYUDHWBXSA-N -1 0 321.333 -0.098 20 0 DBADRM O=C(CCOCC1CC1)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001601280912 1017832899 /nfs/dbraw/zinc/83/28/99/1017832899.db2.gz OLMDFAKQIBAQGT-NEPJUHHUSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)CCc1cn[nH]n1 ZINC001601286690 1017833081 /nfs/dbraw/zinc/83/30/81/1017833081.db2.gz JXBDDTSMZWVOEL-JLVKAVFRSA-N -1 0 321.337 -0.753 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)CCNS(=O)(=O)c1cccnc1 ZINC001601278566 1017833165 /nfs/dbraw/zinc/83/31/65/1017833165.db2.gz FQHUANALOFJWAE-VIFPVBQESA-N -1 0 319.314 -0.711 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC001601278423 1017833281 /nfs/dbraw/zinc/83/32/81/1017833281.db2.gz BLXOXZNAMMCUTA-SSDOTTSWSA-N -1 0 324.355 -0.045 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)CCn2ccnc2)C1 ZINC001601299578 1017833443 /nfs/dbraw/zinc/83/34/43/1017833443.db2.gz NEZZWTQTXRNFLP-KKOKHZNYSA-N -1 0 320.349 -0.243 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)CCn2cncn2)CC1 ZINC001601300006 1017833500 /nfs/dbraw/zinc/83/35/00/1017833500.db2.gz BIZVBALMWGLJSJ-UWVGGRQHSA-N -1 0 321.337 -0.846 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001601296687 1017833553 /nfs/dbraw/zinc/83/35/53/1017833553.db2.gz LKTXORHQLXAPBJ-UTINFBMNSA-N -1 0 321.337 -0.779 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)CCn2cccn2)n1 ZINC001601300127 1017833718 /nfs/dbraw/zinc/83/37/18/1017833718.db2.gz XBVRSVNJYJFQLX-UHFFFAOYSA-N -1 0 304.310 -0.588 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)CCc1nc(-c2ncccn2)no1 ZINC001601294391 1017833734 /nfs/dbraw/zinc/83/37/34/1017833734.db2.gz JSSKICXFYVHRNL-ZETCQYMHSA-N -1 0 309.257 -0.002 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)CCn2ccnn2)C1 ZINC001601299332 1017833758 /nfs/dbraw/zinc/83/37/58/1017833758.db2.gz GVCGHSGAEVAZIZ-VLEAKVRGSA-N -1 0 321.337 -0.848 20 0 DBADRM O=C([O-])c1cnc(NCCCNC(=O)CCn2ccnn2)nc1 ZINC001601299716 1017833994 /nfs/dbraw/zinc/83/39/94/1017833994.db2.gz MQDYLMPJXTZMGK-UHFFFAOYSA-N -1 0 319.325 -0.225 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCc1nc(-c2ccccn2)no1 ZINC001601295022 1017834312 /nfs/dbraw/zinc/83/43/12/1017834312.db2.gz IUOCWEDWOCSZBU-VIFPVBQESA-N -1 0 306.278 -0.374 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)CCn2ccnc2)C1 ZINC001601299577 1017834328 /nfs/dbraw/zinc/83/43/28/1017834328.db2.gz NEZZWTQTXRNFLP-FIQHERPVSA-N -1 0 320.349 -0.243 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCn1cnccc1=O ZINC001601301152 1017834383 /nfs/dbraw/zinc/83/43/83/1017834383.db2.gz ZPMFGBYHCBVCMT-JTQLQIEISA-N -1 0 305.294 -0.831 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCc1nc2ccccc2oc1=O ZINC001601295443 1017834507 /nfs/dbraw/zinc/83/45/07/1017834507.db2.gz RTBWQUVQBVCVJG-JTQLQIEISA-N -1 0 306.274 -0.318 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(CC(=O)NCC(=O)c2cccs2)C1 ZINC001601303960 1017835155 /nfs/dbraw/zinc/83/51/55/1017835155.db2.gz JGTAXDLHVHVFGA-CYBMUJFWSA-N -1 0 312.347 -0.432 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CCC(CO)(CO)C2)n1 ZINC001601305519 1017834773 /nfs/dbraw/zinc/83/47/73/1017834773.db2.gz PEYCFMYOWWHGJH-UHFFFAOYSA-N -1 0 309.322 -0.605 20 0 DBADRM O=C([O-])[C@@H]1CCS(=O)(=O)N1CC(=O)NC1CCCCC1 ZINC001601303095 1017834859 /nfs/dbraw/zinc/83/48/59/1017834859.db2.gz IWBUPNXEMOSAEV-JTQLQIEISA-N -1 0 304.368 -0.076 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CC[C@@H](O)[C@H](CO)C2)c1 ZINC001601303735 1017834868 /nfs/dbraw/zinc/83/48/68/1017834868.db2.gz DQFKARLTNBVNKV-WCQYABFASA-N -1 0 308.334 -0.002 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)CN1CCC(CO)CC1 ZINC001601306318 1017834888 /nfs/dbraw/zinc/83/48/88/1017834888.db2.gz YVFPZIJSSGHEQD-STQMWFEESA-N -1 0 314.382 -0.171 20 0 DBADRM O=C([O-])[C@@H](Cc1cncs1)NC(=O)CN1C(=O)CCC1=O ZINC001601303494 1017835125 /nfs/dbraw/zinc/83/51/25/1017835125.db2.gz SIKZJPNEXZGJKT-MRVPVSSYSA-N -1 0 311.319 -0.596 20 0 DBADRM O=C([O-])C(=O)CCCOC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001601303407 1017835147 /nfs/dbraw/zinc/83/51/47/1017835147.db2.gz SMOROGVIXXLCPK-AOOOYVTPSA-N -1 0 323.301 -0.085 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1C(=O)CNC1=O)c1ccccc1F ZINC001601302156 1017835202 /nfs/dbraw/zinc/83/52/02/1017835202.db2.gz BNEXQQPDBATLIM-NSHDSACASA-N -1 0 309.253 -0.381 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)O[C@H]1CCN(C2CC2)C1=O ZINC001601310001 1017835668 /nfs/dbraw/zinc/83/56/68/1017835668.db2.gz JEFJPFPSYYPIEH-MNOVXSKESA-N -1 0 324.333 -0.384 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)NCCOC(=O)C1CC1 ZINC001601309488 1017835691 /nfs/dbraw/zinc/83/56/91/1017835691.db2.gz AQLGHCAZOFKOAL-JTQLQIEISA-N -1 0 312.322 -0.621 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NC[C@@]2(O)CCSC2)C1=O ZINC001601308255 1017835792 /nfs/dbraw/zinc/83/57/92/1017835792.db2.gz KKGMQJQWWHRJLP-ZANVPECISA-N -1 0 316.379 -0.706 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)OC[C@H]1COCCO1 ZINC001601310266 1017835864 /nfs/dbraw/zinc/83/58/64/1017835864.db2.gz MTCKMJHOSYZXAY-ZJUUUORDSA-N -1 0 301.295 -0.732 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2CCn3ccnc3C2)C1=O ZINC001601307436 1017835883 /nfs/dbraw/zinc/83/58/83/1017835883.db2.gz AMZOQJHWKZOAQD-QWRGUYRKSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C(CN1CC(=O)NC1=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001601307140 1017835955 /nfs/dbraw/zinc/83/59/55/1017835955.db2.gz XIXDCOIMIRFGGX-SNVBAGLBSA-N -1 0 311.338 -0.065 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NC[C@]2(O)CCSC2)C1=O ZINC001601308254 1017836284 /nfs/dbraw/zinc/83/62/84/1017836284.db2.gz KKGMQJQWWHRJLP-TVQRCGJNSA-N -1 0 316.379 -0.706 20 0 DBADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(CC(=O)N2CCNC2=O)C1 ZINC001601306608 1017836563 /nfs/dbraw/zinc/83/65/63/1017836563.db2.gz MZZIIMYFMFHFEO-SNVBAGLBSA-N -1 0 309.244 -0.123 20 0 DBADRM O=C(CN1CCC[C@@H]2C[C@@]21C(=O)[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC001601313801 1017836872 /nfs/dbraw/zinc/83/68/72/1017836872.db2.gz WLAXMDGVDVVUCG-BREBYQMCSA-N -1 0 316.379 -0.771 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)no1 ZINC001601314271 1017837229 /nfs/dbraw/zinc/83/72/29/1017837229.db2.gz ARUAGKLUDDICGF-UHFFFAOYSA-N -1 0 322.321 -0.591 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@@H](CO)C(F)(F)F)C1=O ZINC001601314199 1017837514 /nfs/dbraw/zinc/83/75/14/1017837514.db2.gz YDQFXSORRYTRMS-RQJHMYQMSA-N -1 0 312.244 -0.651 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NCCCCCCO)C1=O ZINC001601310696 1017837517 /nfs/dbraw/zinc/83/75/17/1017837517.db2.gz OOZLALSDYNSVDM-LLVKDONJSA-N -1 0 300.355 -0.022 20 0 DBADRM O=C(CN1CCCC2(CC2)S1(=O)=O)NC1(C(=O)[O-])CC1 ZINC001601313454 1017837636 /nfs/dbraw/zinc/83/76/36/1017837636.db2.gz GQGCFGIVUNRWAN-UHFFFAOYSA-N -1 0 302.352 -0.322 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCCCC(=O)C1=O)c1cccnc1 ZINC001601315457 1017837682 /nfs/dbraw/zinc/83/76/82/1017837682.db2.gz ZYWJBJXZZZYHKR-ZDUSSCGKSA-N -1 0 319.317 -0.095 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)CN3CCCNC3=O)C[C@H]1COCC2 ZINC001601315427 1017837721 /nfs/dbraw/zinc/83/77/21/1017837721.db2.gz IYBPQOLMLRGBOG-IINYFYTJSA-N -1 0 311.338 -0.649 20 0 DBADRM O=C([O-])c1cc(CNC(=O)CN2CCCS2(=O)=O)ccn1 ZINC001601315583 1017838023 /nfs/dbraw/zinc/83/80/23/1017838023.db2.gz PQIWDDMTACOWIK-UHFFFAOYSA-N -1 0 313.335 -0.569 20 0 DBADRM O=C(CN1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1)NCC1CC1 ZINC001601315563 1017838218 /nfs/dbraw/zinc/83/82/18/1017838218.db2.gz PENOOZOHLDXJDO-OLZOCXBDSA-N -1 0 323.393 -0.232 20 0 DBADRM O=C(CN1CCOC1=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001601316717 1017838270 /nfs/dbraw/zinc/83/82/70/1017838270.db2.gz RQPCALMRPQLIHK-QMMMGPOBSA-N -1 0 302.283 -0.839 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CCN3CCOC[C@H]3C2)n1 ZINC001601316209 1017838464 /nfs/dbraw/zinc/83/84/64/1017838464.db2.gz AMZJSFUOSQDCEW-LLVKDONJSA-N -1 0 320.349 -0.265 20 0 DBADRM O=C(CN1CCOCC1)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001601316611 1017838691 /nfs/dbraw/zinc/83/86/91/1017838691.db2.gz FPVDLERFPXRSNA-AVERBVTBSA-N -1 0 312.366 -0.153 20 0 DBADRM O=C(CN1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1)NCC1CC1 ZINC001601315562 1017838756 /nfs/dbraw/zinc/83/87/56/1017838756.db2.gz PENOOZOHLDXJDO-CHWSQXEVSA-N -1 0 323.393 -0.232 20 0 DBADRM O=C(CN1CCOC1=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001601316969 1017838776 /nfs/dbraw/zinc/83/87/76/1017838776.db2.gz ZTLNACKCPWPFQJ-ZJUUUORDSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])c1coc(C(=O)COC(=O)CN2CCOCC2=O)c1 ZINC001601316630 1017838794 /nfs/dbraw/zinc/83/87/94/1017838794.db2.gz GOHBMWSOKIYQJN-UHFFFAOYSA-N -1 0 311.246 -0.438 20 0 DBADRM O=C(CN1CCNCC1=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001601316702 1017838836 /nfs/dbraw/zinc/83/88/36/1017838836.db2.gz RHMKNSNOBGEWEX-LBPRGKRZSA-N -1 0 311.382 -0.185 20 0 DBADRM O=C(CNC1(C(=O)[O-])CCS(=O)(=O)CC1)NCC1CCC1 ZINC001601325288 1017839176 /nfs/dbraw/zinc/83/91/76/1017839176.db2.gz VJVBWOMQVIXIJO-UHFFFAOYSA-N -1 0 318.395 -0.476 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)CNC(=O)c1cccs1 ZINC001601323262 1017839232 /nfs/dbraw/zinc/83/92/32/1017839232.db2.gz TXDBXRWUWMSORT-VIFPVBQESA-N -1 0 322.346 -0.056 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)CNC(=O)c2ccncc2)CCOC1 ZINC001601323120 1017839397 /nfs/dbraw/zinc/83/93/97/1017839397.db2.gz PBZSZPDIOXLVNM-AWEZNQCLSA-N -1 0 307.306 -0.581 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)CNC(=O)c1cccs1 ZINC001601323261 1017839484 /nfs/dbraw/zinc/83/94/84/1017839484.db2.gz TXDBXRWUWMSORT-SECBINFHSA-N -1 0 322.346 -0.056 20 0 DBADRM O=C([O-])C1(NC(=O)CNC(=O)c2ccsc2)CC(CO)C1 ZINC001601322960 1017839988 /nfs/dbraw/zinc/83/99/88/1017839988.db2.gz IUOGXQDIRRPOEE-UHFFFAOYSA-N -1 0 312.347 -0.180 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CNC(=O)c1ccc(F)cc1 ZINC001601326633 1017839689 /nfs/dbraw/zinc/83/96/89/1017839689.db2.gz PVOXKSLJUOKQIW-CMPLNLGQSA-N -1 0 310.281 -0.086 20 0 DBADRM O=C(CNC(=O)N1CCCC1)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001601322046 1017839706 /nfs/dbraw/zinc/83/97/06/1017839706.db2.gz XYYVRVMYJBXWEL-QWRGUYRKSA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCC(=O)NCc2ccco2)n1 ZINC001601321506 1017839776 /nfs/dbraw/zinc/83/97/76/1017839776.db2.gz DAEUBRZXIILIFU-UHFFFAOYSA-N -1 0 306.278 -0.393 20 0 DBADRM O=C([O-])[C@@H](CC1CC1)NC(=O)CNC(=O)c1ncccc1O ZINC001601323019 1017839922 /nfs/dbraw/zinc/83/99/22/1017839922.db2.gz LAAYBQAPLBXCCH-SECBINFHSA-N -1 0 307.306 -0.114 20 0 DBADRM O=C([O-])c1nccc(NC(=O)COCc2cc[nH]c(=O)c2)n1 ZINC001601338448 1017840522 /nfs/dbraw/zinc/84/05/22/1017840522.db2.gz JKGFGHRKSXLGBD-UHFFFAOYSA-N -1 0 304.262 -0.147 20 0 DBADRM O=C(CNS(=O)(=O)c1cccnc1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601327252 1017840624 /nfs/dbraw/zinc/84/06/24/1017840624.db2.gz KAMKLABYEAOQLA-DTORHVGOSA-N -1 0 313.335 -0.661 20 0 DBADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CCNC(=O)CO ZINC001601330309 1017840654 /nfs/dbraw/zinc/84/06/54/1017840654.db2.gz QYERMBWHSWOYCZ-CQSZACIVSA-N -1 0 306.318 -0.304 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NCCO[C@@H]1CCOC1 ZINC001601340551 1017840869 /nfs/dbraw/zinc/84/08/69/1017840869.db2.gz GRQSODUHZIFGJY-SECBINFHSA-N -1 0 314.294 -0.189 20 0 DBADRM O=C(COC[C@@H]1CCCO1)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001601337538 1017841118 /nfs/dbraw/zinc/84/11/18/1017841118.db2.gz AWBLNYWGEZAYSI-WDEREUQCSA-N -1 0 317.338 -0.096 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Cc2cc(F)cc3c2OCOC3)C1 ZINC001601354165 1017841400 /nfs/dbraw/zinc/84/14/00/1017841400.db2.gz PSYUUGSEUGJNPJ-UHFFFAOYSA-N -1 0 311.265 -0.107 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)CSc2nnc3ccccn32)C1 ZINC001601351220 1017841566 /nfs/dbraw/zinc/84/15/66/1017841566.db2.gz KBCYSTARBRZBOM-CYBMUJFWSA-N -1 0 322.346 -0.131 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N[C@H](CO)CN2CCOCC2)cn1 ZINC001601358711 1017841631 /nfs/dbraw/zinc/84/16/31/1017841631.db2.gz YNJFFRFRRBRLLA-LBPRGKRZSA-N -1 0 323.349 -0.868 20 0 DBADRM CC[C@@H](C)CC(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001498633231 1017841791 /nfs/dbraw/zinc/84/17/91/1017841791.db2.gz YNMMLJUHVGOUKV-MRVPVSSYSA-N -1 0 323.353 -0.093 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)CSCC(=O)N1CCOCC1 ZINC001601348530 1017841786 /nfs/dbraw/zinc/84/17/86/1017841786.db2.gz LLZQZMWWJAEPGW-QMMMGPOBSA-N -1 0 308.331 -0.883 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)Cc2ccc(F)cn2)C1 ZINC001601361799 1017842030 /nfs/dbraw/zinc/84/20/30/1017842030.db2.gz MHDLWZWJRLMHNY-RYUDHWBXSA-N -1 0 321.308 -0.189 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(NC(=O)Cc2ccc(F)cn2)C1 ZINC001601361797 1017842084 /nfs/dbraw/zinc/84/20/84/1017842084.db2.gz MHDLWZWJRLMHNY-NEPJUHHUSA-N -1 0 321.308 -0.189 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC001601345946 1017842122 /nfs/dbraw/zinc/84/21/22/1017842122.db2.gz MTRKEDPHQMMSPV-LBPRGKRZSA-N -1 0 305.352 -0.608 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)Cc2ccc(-n3cnnc3)cc2)C1 ZINC001601354443 1017842207 /nfs/dbraw/zinc/84/22/07/1017842207.db2.gz GAOIZJYJYQPWBX-HNNXBMFYSA-N -1 0 316.317 -0.142 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)Cc1cn2c(n1)CCCC2 ZINC001601372720 1017842718 /nfs/dbraw/zinc/84/27/18/1017842718.db2.gz MTBPWNQVZIKMOG-LLVKDONJSA-N -1 0 318.337 -0.377 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001601372596 1017842865 /nfs/dbraw/zinc/84/28/65/1017842865.db2.gz ROWLEYPSELEJFM-CNVPUSNMSA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)Cc2ccc[nH]2)n1 ZINC001601363073 1017842905 /nfs/dbraw/zinc/84/29/05/1017842905.db2.gz OKAAOKDFRGRLGV-JTQLQIEISA-N -1 0 319.321 -0.944 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)Cc2c[nH]cn2)CC1 ZINC001601371871 1017843047 /nfs/dbraw/zinc/84/30/47/1017843047.db2.gz CQPODZPVVBFCHU-NWDGAFQWSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)C1 ZINC001601374936 1017843848 /nfs/dbraw/zinc/84/38/48/1017843848.db2.gz DQFPIVFJIANMNG-OAHLLOKOSA-N -1 0 317.301 -0.074 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC001601378603 1017843911 /nfs/dbraw/zinc/84/39/11/1017843911.db2.gz VXRRFJPCLGOZAG-NSHDSACASA-N -1 0 324.337 -0.883 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)Cc1csc(N2CCOCC2)n1 ZINC001601374754 1017843931 /nfs/dbraw/zinc/84/39/31/1017843931.db2.gz QVBDRYDSNQUHHD-VIFPVBQESA-N -1 0 315.351 -0.916 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)Cc1csc(N2CCCC2=O)n1 ZINC001601374893 1017844046 /nfs/dbraw/zinc/84/40/46/1017844046.db2.gz XWNJGDUPHPDOPG-MRVPVSSYSA-N -1 0 313.335 -0.626 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)Cn1cc(Br)cn1 ZINC001601378776 1017844159 /nfs/dbraw/zinc/84/41/59/1017844159.db2.gz XQJPFUAWPIDPJG-ZETCQYMHSA-N -1 0 306.116 -0.403 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)Cc2cscn2)C1 ZINC001601374857 1017844495 /nfs/dbraw/zinc/84/44/95/1017844495.db2.gz BKHBFLQSHPDUGV-GHMZBOCLSA-N -1 0 323.374 -0.019 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N[C@H]2Cc3cnccc3NC2=O)n1 ZINC001601385350 1017845030 /nfs/dbraw/zinc/84/50/30/1017845030.db2.gz QJYNXNAROWYULB-NSHDSACASA-N -1 0 315.289 -0.344 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NC[C@H]2CN(C3CC3)C(=O)O2)c1 ZINC001601380497 1017845260 /nfs/dbraw/zinc/84/52/60/1017845260.db2.gz XVJVWNZFUBPQOH-JTQLQIEISA-N -1 0 308.294 -0.319 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@]2(C(F)(F)F)CCCN2)nn1 ZINC001601382696 1017845372 /nfs/dbraw/zinc/84/53/72/1017845372.db2.gz BQZYTYMBEGKCRM-JTQLQIEISA-N -1 0 321.259 -0.223 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCCN=S2(=O)CCCC2)n1 ZINC001601384374 1017845374 /nfs/dbraw/zinc/84/53/74/1017845374.db2.gz JTCBFZKHJBTQKG-UHFFFAOYSA-N -1 0 314.367 -0.041 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@@H]2CCCN2CC(F)F)nn1 ZINC001601382969 1017845517 /nfs/dbraw/zinc/84/55/17/1017845517.db2.gz YENBATXZTNSMAW-QMMMGPOBSA-N -1 0 317.296 -0.178 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC001601380554 1017845586 /nfs/dbraw/zinc/84/55/86/1017845586.db2.gz YWCZXSNXPWVLBQ-SECBINFHSA-N -1 0 306.322 -0.292 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1 ZINC001601388363 1017845861 /nfs/dbraw/zinc/84/58/61/1017845861.db2.gz NWDWURJKDCATGO-UHFFFAOYSA-N -1 0 320.223 -0.475 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Cn2cnc(-c3ccccc3)n2)C1 ZINC001601390016 1017845878 /nfs/dbraw/zinc/84/58/78/1017845878.db2.gz IYMKEXIPJJXEKY-UHFFFAOYSA-N -1 0 302.290 -0.397 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)Cn3ccnc3)CC2)CCOC1 ZINC001601389791 1017846058 /nfs/dbraw/zinc/84/60/58/1017846058.db2.gz ZUKFYBKKANJIRQ-AWEZNQCLSA-N -1 0 308.338 -0.729 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)Cn2cccn2)C1 ZINC001601389392 1017846334 /nfs/dbraw/zinc/84/63/34/1017846334.db2.gz NJEPXTSZZZXLBR-WHOHXGKFSA-N -1 0 320.349 -0.385 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCCCO[C@@H]2CCOC2)c1=O ZINC001601387889 1017846671 /nfs/dbraw/zinc/84/66/71/1017846671.db2.gz HDSCHMZHGQXIKP-LLVKDONJSA-N -1 0 324.333 -0.142 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001601712078 1017868891 /nfs/dbraw/zinc/86/88/91/1017868891.db2.gz AFMHLLVZGFLKFF-MRVPVSSYSA-N -1 0 311.381 -0.652 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001601391856 1017847298 /nfs/dbraw/zinc/84/72/98/1017847298.db2.gz ZSPDGMWBPDWUJM-MRVPVSSYSA-N -1 0 300.290 -0.690 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1cnc2[nH]cnc2c1 ZINC001601428172 1017847765 /nfs/dbraw/zinc/84/77/65/1017847765.db2.gz IJYBGSRKOPAMSE-VIFPVBQESA-N -1 0 301.266 -0.567 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001601426612 1017848029 /nfs/dbraw/zinc/84/80/29/1017848029.db2.gz ZNXSPYDNZFVJNB-GXSJLCMTSA-N -1 0 306.322 -0.537 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001601426227 1017848285 /nfs/dbraw/zinc/84/82/85/1017848285.db2.gz VGKIUAAYZAZKHS-WDEREUQCSA-N -1 0 303.322 -0.088 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)cn1 ZINC001601420039 1017848314 /nfs/dbraw/zinc/84/83/14/1017848314.db2.gz LGORDJCLQMTCKE-STQMWFEESA-N -1 0 317.301 -0.001 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001601427413 1017848377 /nfs/dbraw/zinc/84/83/77/1017848377.db2.gz BUEZFDLJQVNZTF-ZJUUUORDSA-N -1 0 304.310 -0.693 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001601429104 1017848422 /nfs/dbraw/zinc/84/84/22/1017848422.db2.gz PWNIWTAOAMQISP-HUAZRZQGSA-N -1 0 322.321 -0.911 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)c1cnc2n1CCOC2 ZINC001601426378 1017848516 /nfs/dbraw/zinc/84/85/16/1017848516.db2.gz YNHWAXWSBYGJSG-VIFPVBQESA-N -1 0 305.294 -0.507 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001601426224 1017848623 /nfs/dbraw/zinc/84/86/23/1017848623.db2.gz VGKIUAAYZAZKHS-GHMZBOCLSA-N -1 0 303.322 -0.088 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(S(=O)(=O)N=S2(=O)CCCC2)C1 ZINC001601717731 1017869270 /nfs/dbraw/zinc/86/92/70/1017869270.db2.gz AUADHFXYIHBDIS-SECBINFHSA-N -1 0 314.360 -0.008 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)CCOC1 ZINC001601430604 1017848841 /nfs/dbraw/zinc/84/88/41/1017848841.db2.gz MYYLTLHUFLBCDO-ZALRCZSOSA-N -1 0 311.290 -0.933 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(NC(=O)c2ccnnc2)CC1 ZINC001601433226 1017849039 /nfs/dbraw/zinc/84/90/39/1017849039.db2.gz YSGVDGFTBGFZMO-ZJUUUORDSA-N -1 0 304.306 -0.424 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2cnns2)CC1 ZINC001601441445 1017849416 /nfs/dbraw/zinc/84/94/16/1017849416.db2.gz SDEATBKIJYQYFR-BDAKNGLRSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NC2CC3(CCC3)C2)C1 ZINC001601435859 1017849601 /nfs/dbraw/zinc/84/96/01/1017849601.db2.gz POLRJMHTNDSXLG-GXSJLCMTSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)N(CCO)CC(F)F)CC1 ZINC001601435362 1017849676 /nfs/dbraw/zinc/84/96/76/1017849676.db2.gz QSHHQBMNWQVAOI-UHFFFAOYSA-N -1 0 322.308 -0.168 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(NC(=O)c2ccnnc2)CC1 ZINC001601433224 1017849719 /nfs/dbraw/zinc/84/97/19/1017849719.db2.gz YSGVDGFTBGFZMO-UWVGGRQHSA-N -1 0 304.306 -0.424 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2CCO)CC1 ZINC001601439544 1017849740 /nfs/dbraw/zinc/84/97/40/1017849740.db2.gz GUUKYXPVIKEVMZ-PWSUYJOCSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)C(=O)N[C@@H]3C=CCC3)C2)nn1 ZINC001601433805 1017849817 /nfs/dbraw/zinc/84/98/17/1017849817.db2.gz BZVBOATWNDTSNA-NXEZZACHSA-N -1 0 319.321 -0.416 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2csnn2)CC1 ZINC001601441462 1017850044 /nfs/dbraw/zinc/85/00/44/1017850044.db2.gz SPHGSHXXYNOUEM-DTWKUNHWSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOC2)c2ccccc2O1 ZINC001601447757 1017850179 /nfs/dbraw/zinc/85/01/79/1017850179.db2.gz PRSHLEUNBUJMOV-CABZTGNLSA-N -1 0 320.301 -0.230 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2ccnnc2)CC1 ZINC001601442058 1017850233 /nfs/dbraw/zinc/85/02/33/1017850233.db2.gz YVWZCYSZGABDHO-VXGBXAGGSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001601443202 1017850792 /nfs/dbraw/zinc/85/07/92/1017850792.db2.gz GHKCKENSOQNNRH-LPEHRKFASA-N -1 0 316.321 -0.460 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)CNC(=O)c2ccsc2)C1 ZINC001601446315 1017850923 /nfs/dbraw/zinc/85/09/23/1017850923.db2.gz KPEULGATPZLJMN-UWVGGRQHSA-N -1 0 312.347 -0.228 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@@H](O)C2CCC2)n1 ZINC001601466331 1017851077 /nfs/dbraw/zinc/85/10/77/1017851077.db2.gz JYEWRYSYGVCTRW-SNVBAGLBSA-N -1 0 307.306 -0.005 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CNC(=O)c3ccc(O)cc3)C[C@@H]21 ZINC001601448369 1017851477 /nfs/dbraw/zinc/85/14/77/1017851477.db2.gz IJUGGTXUJSTPHA-PJXYFTJBSA-N -1 0 304.302 -0.089 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)CNC(=O)c1ccsc1 ZINC001601450061 1017851492 /nfs/dbraw/zinc/85/14/92/1017851492.db2.gz ZHWUKPXWXPUMHR-MWLCHTKSSA-N -1 0 312.347 -0.086 20 0 DBADRM O=C([O-])c1cccc(NC(=O)NCC(=O)N2CCOCC2)n1 ZINC001601449677 1017851546 /nfs/dbraw/zinc/85/15/46/1017851546.db2.gz KPMKPFFPOTYNAW-UHFFFAOYSA-N -1 0 308.294 -0.240 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)C2=COCCC2)nc1 ZINC001601461392 1017851682 /nfs/dbraw/zinc/85/16/82/1017851682.db2.gz LQORVSHXKNBOBO-NSHDSACASA-N -1 0 322.321 -0.242 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC001601464957 1017851791 /nfs/dbraw/zinc/85/17/91/1017851791.db2.gz RUUOHSIOFHQYKL-VIFPVBQESA-N -1 0 306.282 -0.446 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)c2cccnc2)n1 ZINC001601460567 1017851886 /nfs/dbraw/zinc/85/18/86/1017851886.db2.gz DOYNIDBIYAWKAA-JTQLQIEISA-N -1 0 317.305 -0.806 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCOC1 ZINC001601452512 1017851985 /nfs/dbraw/zinc/85/19/85/1017851985.db2.gz OLOTYNBRJWTNRQ-UTLUCORTSA-N -1 0 305.352 -0.725 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC001601468756 1017852133 /nfs/dbraw/zinc/85/21/33/1017852133.db2.gz YVDDHGQBHHFVCC-WDEREUQCSA-N -1 0 319.317 -0.062 20 0 DBADRM O=C([O-])C1(CNC(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001601469039 1017852158 /nfs/dbraw/zinc/85/21/58/1017852158.db2.gz MBXGBEGMOUUFRL-UHFFFAOYSA-N -1 0 324.337 -0.329 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)NC[C@]1(O)CCOC1 ZINC001601475189 1017852235 /nfs/dbraw/zinc/85/22/35/1017852235.db2.gz HEPKJFUWVDWDCF-LKFCYVNXSA-N -1 0 324.337 -0.133 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)c2ccc(-n3ccnc3)nn2)CCOC1 ZINC001601471762 1017852258 /nfs/dbraw/zinc/85/22/58/1017852258.db2.gz ICVGTMAHVGYTJP-AWEZNQCLSA-N -1 0 317.305 -0.117 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2cn[nH]n2)CCCC1 ZINC001601476073 1017852337 /nfs/dbraw/zinc/85/23/37/1017852337.db2.gz MBJJOEPHDQQETG-IUCAKERBSA-N -1 0 321.337 -0.316 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CCOC1 ZINC001601473772 1017852493 /nfs/dbraw/zinc/85/24/93/1017852493.db2.gz MHROUDGXZOJXTD-OQPBUACISA-N -1 0 310.310 -0.846 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2cnccn2)CC1 ZINC001601476201 1017852736 /nfs/dbraw/zinc/85/27/36/1017852736.db2.gz MRQSNLNSCDPPPD-RKDXNWHRSA-N -1 0 304.306 -0.424 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)c3cnon3)CCC2)n1 ZINC001601475995 1017852810 /nfs/dbraw/zinc/85/28/10/1017852810.db2.gz JXNXSMYWICHTBR-UHFFFAOYSA-N -1 0 318.293 -0.256 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ccnnc2)CC1 ZINC001601476619 1017852863 /nfs/dbraw/zinc/85/28/63/1017852863.db2.gz ULJBEJPUGFFCMY-ZJUUUORDSA-N -1 0 304.306 -0.424 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NCC2(C3CC3)CCC2)C1 ZINC001601474700 1017852918 /nfs/dbraw/zinc/85/29/18/1017852918.db2.gz JDHPZUYRVSDACL-JQWIXIFHSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)CCOC1 ZINC001601473773 1017853100 /nfs/dbraw/zinc/85/31/00/1017853100.db2.gz MHROUDGXZOJXTD-SDBXPKJASA-N -1 0 310.310 -0.846 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2ncccn2)C1 ZINC001601487766 1017853305 /nfs/dbraw/zinc/85/33/05/1017853305.db2.gz IRBUWTNBAXVNMF-VHSXEESVSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)C(=O)NC[C@@H]3CCOC3)[C@@H]2C1 ZINC001601485077 1017853417 /nfs/dbraw/zinc/85/34/17/1017853417.db2.gz BNUZLUFNXGVBJS-MJDLHHQISA-N -1 0 310.350 -0.245 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC=C(CNC(=O)c2cn[nH]n2)CC1 ZINC001601477969 1017853439 /nfs/dbraw/zinc/85/34/39/1017853439.db2.gz QNHPFSGHYYHUQK-NXEZZACHSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NC[C@@H]2CCC=CCCC2)C1 ZINC001601482598 1017853563 /nfs/dbraw/zinc/85/35/63/1017853563.db2.gz QAOBLZFUCFUTQB-LLVKDONJSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CCNC(=O)c1ccc(F)cc1 ZINC001601492690 1017854360 /nfs/dbraw/zinc/85/43/60/1017854360.db2.gz SMQSAXXJUWJYEM-NEPJUHHUSA-N -1 0 324.308 -0.008 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2ncccc2O)C1 ZINC001601488687 1017855016 /nfs/dbraw/zinc/85/50/16/1017855016.db2.gz UHHACNVXCOZHRA-UWVGGRQHSA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2cccnn2)C1 ZINC001601488330 1017855118 /nfs/dbraw/zinc/85/51/18/1017855118.db2.gz OZYBDFLQZKBXIC-VHSXEESVSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCCn2ccc(=O)[nH]c2=O)c[nH]1 ZINC001601500775 1017855684 /nfs/dbraw/zinc/85/56/84/1017855684.db2.gz NWMZXAUCNPQBBT-UHFFFAOYSA-N -1 0 306.278 -0.205 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCCN2CCCS2(=O)=O)no1 ZINC001601498830 1017855788 /nfs/dbraw/zinc/85/57/88/1017855788.db2.gz MXXNNBWJRYWUIM-UHFFFAOYSA-N -1 0 317.323 -0.472 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CCCNC(=O)c1cnon1)C1CC1 ZINC001601498101 1017855916 /nfs/dbraw/zinc/85/59/16/1017855916.db2.gz ACNONMYKBSPQBA-VHSXEESVSA-N -1 0 322.321 -0.099 20 0 DBADRM O=C(NCCCO)C1CCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001601500271 1017855931 /nfs/dbraw/zinc/85/59/31/1017855931.db2.gz XCGQRBIYDFKFTE-TXEJJXNPSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCCNC(=O)c1cccc(=O)[nH]1 ZINC001601498708 1017856231 /nfs/dbraw/zinc/85/62/31/1017856231.db2.gz HOSDEPWMOKRNPJ-BDAKNGLRSA-N -1 0 307.306 -0.256 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCCNC(=O)C2CC2)n1 ZINC001601502388 1017856375 /nfs/dbraw/zinc/85/63/75/1017856375.db2.gz ORPRZLPWKFBQET-UHFFFAOYSA-N -1 0 320.305 -0.639 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNC(=O)c1cnn2cccnc12 ZINC001601503887 1017856607 /nfs/dbraw/zinc/85/66/07/1017856607.db2.gz NXRROEVBFTYCOP-IUCAKERBSA-N -1 0 317.305 -0.704 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCOC[C@@H]2CCOC2)C1 ZINC001601505132 1017856676 /nfs/dbraw/zinc/85/66/76/1017856676.db2.gz BIHBOZYNUOOWQO-GHMZBOCLSA-N -1 0 314.338 -0.911 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCCNC(=O)c2cccs2)C1 ZINC001601504647 1017856980 /nfs/dbraw/zinc/85/69/80/1017856980.db2.gz YBNQFIDDEYCAFV-UHFFFAOYSA-N -1 0 313.335 -0.681 20 0 DBADRM O=C(NCCO[C@@H]1CC1(F)F)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001601504823 1017857049 /nfs/dbraw/zinc/85/70/49/1017857049.db2.gz SOAWANZUJMPMFZ-BWZBUEFSSA-N -1 0 306.265 -0.494 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)NCCN3CCNC3=O)[C@@H]2C1 ZINC001601502689 1017857105 /nfs/dbraw/zinc/85/71/05/1017857105.db2.gz OFPJEONEDDIJPH-YTWAJWBKSA-N -1 0 310.354 -0.190 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1ncnc2[nH]ccc21 ZINC001601504664 1017857136 /nfs/dbraw/zinc/85/71/36/1017857136.db2.gz YPQGMBPDEJUWPO-DTWKUNHWSA-N -1 0 317.305 -0.524 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNC(=O)c1cnn(C(F)F)c1 ZINC001601504799 1017857198 /nfs/dbraw/zinc/85/71/98/1017857198.db2.gz ZYCGEELJDYLRAL-SFYZADRCSA-N -1 0 316.264 -0.155 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1cnn2cccnc12 ZINC001601503891 1017857279 /nfs/dbraw/zinc/85/72/79/1017857279.db2.gz NXRROEVBFTYCOP-RKDXNWHRSA-N -1 0 317.305 -0.704 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NCCc2ccoc2)C1 ZINC001601513578 1017857621 /nfs/dbraw/zinc/85/76/21/1017857621.db2.gz SYEIYGFOVNDTMV-QWRGUYRKSA-N -1 0 310.306 -0.768 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@@H](O)C(F)(F)F)n1 ZINC001601518182 1017857675 /nfs/dbraw/zinc/85/76/75/1017857675.db2.gz NDAQPNNFQWYINP-ZCFIWIBFSA-N -1 0 321.211 -0.242 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCNc2ccccn2)nn1 ZINC001601511408 1017857788 /nfs/dbraw/zinc/85/77/88/1017857788.db2.gz JJLZHRFMIDSODR-UHFFFAOYSA-N -1 0 319.325 -0.217 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCc2nnc3n2CCC3)nn1 ZINC001601516871 1017858178 /nfs/dbraw/zinc/85/81/78/1017858178.db2.gz NFFHVMFXHBTZNT-UHFFFAOYSA-N -1 0 320.313 -0.987 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2cnn(C(F)F)c2)nn1 ZINC001601518342 1017858310 /nfs/dbraw/zinc/85/83/10/1017858310.db2.gz SPNKAODMQYSOQC-UHFFFAOYSA-N -1 0 300.225 -0.002 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC1CCC2(COC2)CC1 ZINC001601521199 1017858715 /nfs/dbraw/zinc/85/87/15/1017858715.db2.gz YRHYBEOLKCQRDT-VIFPVBQESA-N -1 0 302.302 -0.399 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC001601519750 1017858757 /nfs/dbraw/zinc/85/87/57/1017858757.db2.gz DIEZIEBBCSZBJK-WDSKDSINSA-N -1 0 300.208 -0.064 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC001601520841 1017858884 /nfs/dbraw/zinc/85/88/84/1017858884.db2.gz VPLMJTBEGOEAPW-KOLCDFICSA-N -1 0 309.297 -0.031 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)NCC1(O)CCC2(CC1)OCCO2 ZINC001601520557 1017858921 /nfs/dbraw/zinc/85/89/21/1017858921.db2.gz GJTFJKQWJHGXRQ-VIFPVBQESA-N -1 0 320.317 -0.244 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@]23C[C@H]2CCC3)C1 ZINC001601520702 1017859010 /nfs/dbraw/zinc/85/90/10/1017859010.db2.gz NCHQIVMTIMGTQP-DDIVZENXSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC001601519752 1017859429 /nfs/dbraw/zinc/85/94/29/1017859429.db2.gz DJIOPOUJLHNTOU-DCAQKATOSA-N -1 0 316.329 -0.011 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)n1 ZINC001601522923 1017859237 /nfs/dbraw/zinc/85/92/37/1017859237.db2.gz NDAQPNNFQWYINP-LURJTMIESA-N -1 0 321.211 -0.242 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001601520679 1017859369 /nfs/dbraw/zinc/85/93/69/1017859369.db2.gz LZSCFLQIGZGHNK-MNOVXSKESA-N -1 0 309.297 -0.064 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC001601523278 1017859819 /nfs/dbraw/zinc/85/98/19/1017859819.db2.gz BCDRMZSLONHLND-FXQIFTODSA-N -1 0 315.244 -0.468 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC001601523689 1017859953 /nfs/dbraw/zinc/85/99/53/1017859953.db2.gz JIPRTXZQDIPPFZ-UWVGGRQHSA-N -1 0 310.306 -0.164 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1COCCN1CC(F)F ZINC001601523082 1017860053 /nfs/dbraw/zinc/86/00/53/1017860053.db2.gz AVBLAIVHIZVXCQ-FXPVBKGRSA-N -1 0 322.308 -0.442 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC001601524256 1017860367 /nfs/dbraw/zinc/86/03/67/1017860367.db2.gz PKFLZOWRQZAKBF-NSHDSACASA-N -1 0 303.274 -0.383 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001601523277 1017860613 /nfs/dbraw/zinc/86/06/13/1017860613.db2.gz BCDRMZSLONHLND-CSMHCCOUSA-N -1 0 315.244 -0.468 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](N2CCCC2=O)C1 ZINC001601526922 1017860980 /nfs/dbraw/zinc/86/09/80/1017860980.db2.gz KDLQXMSRZLFUGE-GMTAPVOTSA-N -1 0 323.349 -0.953 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)c2nc3n(n2)CCCN3)C1(F)F ZINC001601529285 1017861050 /nfs/dbraw/zinc/86/10/50/1017861050.db2.gz XSYCVTJWPZWGIA-WDSKDSINSA-N -1 0 301.253 -0.953 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1(F)F ZINC001601529841 1017861265 /nfs/dbraw/zinc/86/12/65/1017861265.db2.gz LRBMTMIZJNIYLL-FJXKBIBVSA-N -1 0 300.265 -0.077 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1cn(-c2cccnc2)nn1 ZINC001601570266 1017862240 /nfs/dbraw/zinc/86/22/40/1017862240.db2.gz CGCVDBLFTADGKY-GXSJLCMTSA-N -1 0 303.278 -0.366 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)N1CCN3CCOC[C@@H]3C1)C2 ZINC001601573550 1017862871 /nfs/dbraw/zinc/86/28/71/1017862871.db2.gz AKSOPZFNHRCNMQ-YXMPFFBPSA-N -1 0 309.366 -0.034 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001601572512 1017863011 /nfs/dbraw/zinc/86/30/11/1017863011.db2.gz AWZLPAMXPGORAM-PHIMTYICSA-N -1 0 323.349 -0.953 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2cnccn2)C1 ZINC001601574715 1017863141 /nfs/dbraw/zinc/86/31/41/1017863141.db2.gz ZBUIXAVMSMAJOM-YTWAJWBKSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)[C@H]1CCc3nnnn3CC1)C2 ZINC001601574324 1017863273 /nfs/dbraw/zinc/86/32/73/1017863273.db2.gz LCXLCBMQTXKUSS-JIXVBMEVSA-N -1 0 305.338 -0.005 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2ccnnc2)C1 ZINC001601574456 1017863340 /nfs/dbraw/zinc/86/33/40/1017863340.db2.gz WACBSODADDGUPN-KLHWPWHYSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC001601579551 1017863481 /nfs/dbraw/zinc/86/34/81/1017863481.db2.gz ZLGHECFWVNLFBI-CCUNJIBTSA-N -1 0 310.350 -0.128 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001601577970 1017863614 /nfs/dbraw/zinc/86/36/14/1017863614.db2.gz SNCGPQMIEOGTNY-KYXWUPHJSA-N -1 0 306.322 -0.245 20 0 DBADRM O=C([O-])C1(NC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC1 ZINC001601594696 1017863618 /nfs/dbraw/zinc/86/36/18/1017863618.db2.gz VJXJCYBSUNHBMG-UHFFFAOYSA-N -1 0 315.289 -0.061 20 0 DBADRM O=C([O-])c1cc(F)ccc1NC(=O)C(=O)N(CCO)CCO ZINC001601604947 1017863867 /nfs/dbraw/zinc/86/38/67/1017863867.db2.gz MXHJILLAEWLNIM-UHFFFAOYSA-N -1 0 314.269 -0.724 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC001601602964 1017864227 /nfs/dbraw/zinc/86/42/27/1017864227.db2.gz WNOHDVDSUWMPRV-MRVPVSSYSA-N -1 0 304.661 -0.021 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnn1 ZINC001601579461 1017864253 /nfs/dbraw/zinc/86/42/53/1017864253.db2.gz WLXJHLYXQIDRAO-KUNJHIDRSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)C(=O)N3CCC[C@@H]3CCO)[C@@H]2C1 ZINC001601578904 1017864334 /nfs/dbraw/zinc/86/43/34/1017864334.db2.gz YVWRLFCOILMJMC-MLGHIDQZSA-N -1 0 324.377 -0.025 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)c2ccnnc2)C1 ZINC001601578217 1017864380 /nfs/dbraw/zinc/86/43/80/1017864380.db2.gz VRGBKEQLZJKTSH-XWLWVQCSSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)[C@H](O)c1ccccn1 ZINC001601646746 1017864969 /nfs/dbraw/zinc/86/49/69/1017864969.db2.gz XEICDFDYQROBLJ-CMPLNLGQSA-N -1 0 310.306 -0.163 20 0 DBADRM O=C([O-])[C@H](CNS(=O)(=O)C1COC1)Cc1ccc(O)cc1 ZINC001601653455 1017865083 /nfs/dbraw/zinc/86/50/83/1017865083.db2.gz OCCSTIAENZMHTQ-JTQLQIEISA-N -1 0 315.347 -0.046 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NS(=O)(=O)C[C@H]1CCCOC1 ZINC001601645117 1017865502 /nfs/dbraw/zinc/86/55/02/1017865502.db2.gz LAXPRLOFMBJGPJ-VHSXEESVSA-N -1 0 323.367 -0.451 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1CCOC1 ZINC001601653715 1017865594 /nfs/dbraw/zinc/86/55/94/1017865594.db2.gz KXOSYAFKRRNALU-JZRPKSSGSA-N -1 0 313.350 -0.109 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@H]1CCCN(C2CC2)C1=O ZINC001601662786 1017866678 /nfs/dbraw/zinc/86/66/78/1017866678.db2.gz KRPNHBDKUZUQII-NEPJUHHUSA-N -1 0 320.349 -0.147 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001601682045 1017866836 /nfs/dbraw/zinc/86/68/36/1017866836.db2.gz SFUYMEXJMIXRPS-VHSXEESVSA-N -1 0 320.367 -0.959 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC001601683756 1017867363 /nfs/dbraw/zinc/86/73/63/1017867363.db2.gz SSNSLHPDEVQSIX-JTQLQIEISA-N -1 0 320.305 -0.039 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001601685383 1017867828 /nfs/dbraw/zinc/86/78/28/1017867828.db2.gz RNHUVMCODHOCAX-JTQLQIEISA-N -1 0 304.324 -0.338 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)CCn2cnccc2=O)CC1 ZINC001601684540 1017867868 /nfs/dbraw/zinc/86/78/68/1017867868.db2.gz VJHNXBSTGLMTFS-ZDUSSCGKSA-N -1 0 309.322 -0.683 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)CCn2cnccc2=O)CC1 ZINC001601684539 1017867897 /nfs/dbraw/zinc/86/78/97/1017867897.db2.gz VJHNXBSTGLMTFS-CYBMUJFWSA-N -1 0 309.322 -0.683 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCc2nnc[nH]2)CCCC1 ZINC001601716627 1017868303 /nfs/dbraw/zinc/86/83/03/1017868303.db2.gz YGDRRSKWJZNUQZ-UHFFFAOYSA-N -1 0 302.356 -0.088 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H](O)COCC2CC2)CC1 ZINC001601712879 1017868733 /nfs/dbraw/zinc/86/87/33/1017868733.db2.gz HNKFLFSKWMBJKZ-SNVBAGLBSA-N -1 0 307.368 -0.442 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@]2(O)CCc3ccccc3C2)C1 ZINC001601722809 1017869858 /nfs/dbraw/zinc/86/98/58/1017869858.db2.gz XJZZZHXVAUHJAH-JKSUJKDBSA-N -1 0 305.330 -0.046 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC001601726542 1017870498 /nfs/dbraw/zinc/87/04/98/1017870498.db2.gz RLNXEUJRZRMPQI-UWVGGRQHSA-N -1 0 305.352 -0.595 20 0 DBADRM O=C([O-])C12CC(C(=O)NCC3(O)CCS(=O)(=O)CC3)(C1)C2 ZINC001601728381 1017870816 /nfs/dbraw/zinc/87/08/16/1017870816.db2.gz SZKCUGSZADWVQO-UHFFFAOYSA-N -1 0 317.363 -0.703 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C1 ZINC001601736457 1017871069 /nfs/dbraw/zinc/87/10/69/1017871069.db2.gz HBAWULMLMARFFF-LIBFEPKXSA-N -1 0 320.345 -0.184 20 0 DBADRM O=C([O-])C12CC(C(=O)N3CCN4CCOC[C@@]4(CO)C3)(C1)C2 ZINC001601728501 1017871244 /nfs/dbraw/zinc/87/12/44/1017871244.db2.gz WZJOKGQNBNATGO-NRXISQOPSA-N -1 0 310.350 -0.853 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)C1 ZINC001601737049 1017871287 /nfs/dbraw/zinc/87/12/87/1017871287.db2.gz NEKBSDJGSONTGT-XHDPSFHLSA-N -1 0 308.334 -0.085 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)C1 ZINC001601736815 1017871643 /nfs/dbraw/zinc/87/16/43/1017871643.db2.gz KMVLEZRZLXSXQH-RKDXNWHRSA-N -1 0 318.276 -0.496 20 0 DBADRM O=C([O-])C1=CC[C@H](n2nnnc2N2C[C@@H]3COC(=O)[C@@H]3C2)C1 ZINC001601740897 1017871900 /nfs/dbraw/zinc/87/19/00/1017871900.db2.gz VKRHRHJGUBQKQD-KXUCPTDWSA-N -1 0 305.294 -0.372 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(CCN3CCCS3(=O)=O)C2)C1 ZINC001601747110 1017872008 /nfs/dbraw/zinc/87/20/08/1017872008.db2.gz ZGIPFLFXXUYHAD-GFCCVEGCSA-N -1 0 317.367 -0.673 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC001601743463 1017872845 /nfs/dbraw/zinc/87/28/45/1017872845.db2.gz SKAPLMSOWRZEMB-JOXOIDLHSA-N -1 0 324.333 -0.130 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC001601757046 1017872966 /nfs/dbraw/zinc/87/29/66/1017872966.db2.gz FRFXNEXKGXNYAD-RYUDHWBXSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1cnc2sccn2c1=O ZINC001601758777 1017873337 /nfs/dbraw/zinc/87/33/37/1017873337.db2.gz TZPYCXZWGQEXCQ-DTWKUNHWSA-N -1 0 323.330 -0.194 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1ccc(Cn2ccnn2)o1 ZINC001601758406 1017873589 /nfs/dbraw/zinc/87/35/89/1017873589.db2.gz QIKPAVVUVGCINI-PWSUYJOCSA-N -1 0 320.305 -0.031 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC001601757040 1017873616 /nfs/dbraw/zinc/87/36/16/1017873616.db2.gz FRFXNEXKGXNYAD-NEPJUHHUSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC001601758518 1017873699 /nfs/dbraw/zinc/87/36/99/1017873699.db2.gz CAQABKCFMYHEIP-NEPJUHHUSA-N -1 0 309.366 -0.179 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1Cc1cn(C[C@H]2CCCO2)nn1 ZINC001601754896 1017873910 /nfs/dbraw/zinc/87/39/10/1017873910.db2.gz OSMDZHMTQGJUNU-UPJWGTAASA-N -1 0 310.354 -0.133 20 0 DBADRM O=C([O-])C1CC(NC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1 ZINC001601759989 1017873997 /nfs/dbraw/zinc/87/39/97/1017873997.db2.gz PBWNZEVFEYMRRX-VKAADOFISA-N -1 0 316.379 -0.074 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1cnc2sccn2c1=O ZINC001601758776 1017874053 /nfs/dbraw/zinc/87/40/53/1017874053.db2.gz TZPYCXZWGQEXCQ-BDAKNGLRSA-N -1 0 323.330 -0.194 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC[C@H](CF)C2)C1 ZINC001601760450 1017874222 /nfs/dbraw/zinc/87/42/22/1017874222.db2.gz NRRQYIYMMRUPOS-MXWKQRLJSA-N -1 0 316.329 -0.512 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 ZINC001601764955 1017874342 /nfs/dbraw/zinc/87/43/42/1017874342.db2.gz JBNFBIDTEPRLFP-NSODJVPESA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001601764527 1017874577 /nfs/dbraw/zinc/87/45/77/1017874577.db2.gz HYLCOORZHOKMPI-MVWJERBFSA-N -1 0 305.334 -0.125 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001601762649 1017874623 /nfs/dbraw/zinc/87/46/23/1017874623.db2.gz AJKORSKEVPUWAE-QWRGUYRKSA-N -1 0 323.353 -0.374 20 0 DBADRM O=C([O-])C1CC(NC(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)C1 ZINC001601759990 1017874704 /nfs/dbraw/zinc/87/47/04/1017874704.db2.gz PBWNZEVFEYMRRX-XEAZBWPWSA-N -1 0 316.379 -0.074 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)C2CCSCC2)C1 ZINC001601761077 1017874726 /nfs/dbraw/zinc/87/47/26/1017874726.db2.gz ZZRMCLBTQBLDNZ-ZJUUUORDSA-N -1 0 301.364 -0.007 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001601762123 1017874792 /nfs/dbraw/zinc/87/47/92/1017874792.db2.gz KFMQLMUQWNKJRP-MXWKQRLJSA-N -1 0 308.338 -0.256 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)Cn2ncc3cccnc32)C1 ZINC001601763215 1017874933 /nfs/dbraw/zinc/87/49/33/1017874933.db2.gz OHEHAEJXJKQVDU-MNOVXSKESA-N -1 0 304.306 -0.275 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCCC[C@@H]2CCOC2=O)C1 ZINC001601764382 1017874987 /nfs/dbraw/zinc/87/49/87/1017874987.db2.gz STWAKNJIWFWLAU-GMTAPVOTSA-N -1 0 314.338 -0.193 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC(F)CC2)C1 ZINC001601760410 1017875005 /nfs/dbraw/zinc/87/50/05/1017875005.db2.gz LMDKZGUDLXVDDZ-SCZZXKLOSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001601765958 1017875436 /nfs/dbraw/zinc/87/54/36/1017875436.db2.gz ATMKIWHQFLVSNP-KOLCDFICSA-N -1 0 324.337 -0.463 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)CN2CCN(C3CC3)C2=O)C1 ZINC001601769281 1017875677 /nfs/dbraw/zinc/87/56/77/1017875677.db2.gz YVPZGJZEDQWYDB-KOLCDFICSA-N -1 0 311.338 -0.820 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001601767481 1017875855 /nfs/dbraw/zinc/87/58/55/1017875855.db2.gz FPTNRVZVHLCEMU-ZYHUDNBSSA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)NCc2cnn(CCF)c2)C1 ZINC001601766216 1017876044 /nfs/dbraw/zinc/87/60/44/1017876044.db2.gz VSYQUHYZRQFTKB-QWRGUYRKSA-N -1 0 314.317 -0.170 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001601765642 1017876096 /nfs/dbraw/zinc/87/60/96/1017876096.db2.gz PTOYABOHKKYVMJ-VHSXEESVSA-N -1 0 320.305 -0.173 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001601769193 1017876161 /nfs/dbraw/zinc/87/61/61/1017876161.db2.gz YLUMPSLHMPPDAG-MXWKQRLJSA-N -1 0 319.379 -0.505 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N(CCO)CCNCc1nncs1 ZINC001601775715 1017876749 /nfs/dbraw/zinc/87/67/49/1017876749.db2.gz JQAGZJUGJNUSRH-IUCAKERBSA-N -1 0 314.367 -0.831 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)c1nc[nH]n1)C2 ZINC001601775461 1017876754 /nfs/dbraw/zinc/87/67/54/1017876754.db2.gz DQFKPUMISVTFCN-IUCAKERBSA-N -1 0 319.321 -0.800 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1nc[nH]n1)C2 ZINC001601775459 1017876789 /nfs/dbraw/zinc/87/67/89/1017876789.db2.gz DQFKPUMISVTFCN-BDAKNGLRSA-N -1 0 319.321 -0.800 20 0 DBADRM CC[C@@H](CNC(=O)C1CCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001498865163 1017877163 /nfs/dbraw/zinc/87/71/63/1017877163.db2.gz VEFRXEDBCCXINL-JTQLQIEISA-N -1 0 322.365 -0.089 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCO)CCNCc1cscn1 ZINC001601775311 1017877218 /nfs/dbraw/zinc/87/72/18/1017877218.db2.gz APULDHWIBSXNEY-GHMZBOCLSA-N -1 0 313.379 -0.226 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N(CCO)CCNCc1nncs1 ZINC001601775713 1017877279 /nfs/dbraw/zinc/87/72/79/1017877279.db2.gz JQAGZJUGJNUSRH-BDAKNGLRSA-N -1 0 314.367 -0.831 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1CC1=NS(=O)(=O)c2ccccc21 ZINC001601774365 1017877441 /nfs/dbraw/zinc/87/74/41/1017877441.db2.gz XOHITZPGHWCLFW-LDYMZIIASA-N -1 0 310.331 -0.302 20 0 DBADRM CC[C@H](CNC(=O)C1CCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001498865165 1017877680 /nfs/dbraw/zinc/87/76/80/1017877680.db2.gz VEFRXEDBCCXINL-SNVBAGLBSA-N -1 0 322.365 -0.089 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001601776259 1017877776 /nfs/dbraw/zinc/87/77/76/1017877776.db2.gz XCOOKIHCAVKYNA-MTVMDMGHSA-N -1 0 322.361 -0.557 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2cncc(F)c2)C1 ZINC001601776699 1017877873 /nfs/dbraw/zinc/87/78/73/1017877873.db2.gz BFNOSWBOYYLAFZ-NEPJUHHUSA-N -1 0 323.324 -0.396 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)CCCn2ccnn2)C1 ZINC001601777095 1017877909 /nfs/dbraw/zinc/87/79/09/1017877909.db2.gz CVLRVQOVWUEYCU-QWRGUYRKSA-N -1 0 321.337 -0.894 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)C1(C2CC2)CC1 ZINC001601776233 1017878116 /nfs/dbraw/zinc/87/81/16/1017878116.db2.gz WNKCSPWKEQLQSV-NEPJUHHUSA-N -1 0 324.377 -0.166 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C(F)F)C[C@@H]2C1 ZINC001601776683 1017878146 /nfs/dbraw/zinc/87/81/46/1017878146.db2.gz DFNZHYOEDXTBTA-BZNPZCIMSA-N -1 0 302.277 -0.111 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001601776649 1017878316 /nfs/dbraw/zinc/87/83/16/1017878316.db2.gz CUJYPQOCLFKZQP-VHSXEESVSA-N -1 0 320.305 -0.813 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]c1 ZINC001601776135 1017878340 /nfs/dbraw/zinc/87/83/40/1017878340.db2.gz SUHDKXDIQMSYLH-WHOHXGKFSA-N -1 0 318.333 -0.054 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2cncc(F)c2)C1 ZINC001601776701 1017878362 /nfs/dbraw/zinc/87/83/62/1017878362.db2.gz BFNOSWBOYYLAFZ-RYUDHWBXSA-N -1 0 323.324 -0.396 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC3(O)CCC3)C[C@H]21 ZINC001601778368 1017878967 /nfs/dbraw/zinc/87/89/67/1017878967.db2.gz CJXHXSBBPIKNMD-VLLVSFFDSA-N -1 0 322.361 -0.415 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(Cc2nnnn2C2CC2)CC1 ZINC001601777251 1017879005 /nfs/dbraw/zinc/87/90/05/1017879005.db2.gz HAEGVRGHBBSEGW-QWRGUYRKSA-N -1 0 320.353 -0.627 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001601777828 1017879141 /nfs/dbraw/zinc/87/91/41/1017879141.db2.gz ARPWDIMHTNDMRN-BZNPZCIMSA-N -1 0 309.326 -0.785 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cn[nH]c3)C[C@H]21 ZINC001601777812 1017879586 /nfs/dbraw/zinc/87/95/86/1017879586.db2.gz ALSSYFCOTGOXPU-LADJIXMOSA-N -1 0 304.306 -0.683 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001601777830 1017879784 /nfs/dbraw/zinc/87/97/84/1017879784.db2.gz ARPWDIMHTNDMRN-JBDRJPRFSA-N -1 0 309.326 -0.785 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccc[nH]2)C1 ZINC001601779053 1017880126 /nfs/dbraw/zinc/88/01/26/1017880126.db2.gz KVLNLHOHWQBKOX-IUCAKERBSA-N -1 0 307.306 -0.962 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2cncs2)C1 ZINC001601778968 1017880156 /nfs/dbraw/zinc/88/01/56/1017880156.db2.gz JVHBHAXBCSCGPA-ZJUUUORDSA-N -1 0 311.363 -0.473 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2cncs2)C1 ZINC001601778962 1017880161 /nfs/dbraw/zinc/88/01/61/1017880161.db2.gz JVHBHAXBCSCGPA-UWVGGRQHSA-N -1 0 311.363 -0.473 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN(C(=O)c1ncc[nH]1)C1CC1 ZINC001601779456 1017880219 /nfs/dbraw/zinc/88/02/19/1017880219.db2.gz JAJVUBWXAJOGCG-NXEZZACHSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2ccccn2)C1 ZINC001601779062 1017880430 /nfs/dbraw/zinc/88/04/30/1017880430.db2.gz KXCMLFJDPFZAMM-VXGBXAGGSA-N -1 0 305.334 -0.535 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2ccccn2)C1 ZINC001601779060 1017880672 /nfs/dbraw/zinc/88/06/72/1017880672.db2.gz KXCMLFJDPFZAMM-NWDGAFQWSA-N -1 0 305.334 -0.535 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3csnn3)C[C@H]21 ZINC001601778942 1017880762 /nfs/dbraw/zinc/88/07/62/1017880762.db2.gz FKJPGNMMZNSPSF-KUIGQIJESA-N -1 0 322.346 -0.555 20 0 DBADRM O=C([O-])C1CC2(C1)C[C@@H](NC(=O)C1(n3cnnn3)CC1)CCO2 ZINC001601779879 1017880872 /nfs/dbraw/zinc/88/08/72/1017880872.db2.gz HKZLMVJKFVNSBT-QUNCOHTASA-N -1 0 321.337 -0.309 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1=CCN(C(=O)c2nc[nH]n2)CC1 ZINC001601778596 1017880904 /nfs/dbraw/zinc/88/09/04/1017880904.db2.gz JOVBGLLNTUOWRL-VHSXEESVSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)CC2(O)CCC2)C1 ZINC001601780342 1017881280 /nfs/dbraw/zinc/88/12/80/1017881280.db2.gz KWPJLBWDJQGQGY-MNOVXSKESA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(CCOCC(F)F)C1 ZINC001601780207 1017881361 /nfs/dbraw/zinc/88/13/61/1017881361.db2.gz OHNCZXQQWFKNDV-DTWKUNHWSA-N -1 0 322.308 -0.848 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)CC2(O)CCC2)C1 ZINC001601780345 1017881425 /nfs/dbraw/zinc/88/14/25/1017881425.db2.gz KWPJLBWDJQGQGY-WDEREUQCSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)C=C2CCC2)C1 ZINC001601780160 1017881429 /nfs/dbraw/zinc/88/14/29/1017881429.db2.gz RGICIFWNHHQUQC-NWDGAFQWSA-N -1 0 322.361 -0.103 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNCc1nc(CC2CC2)no1 ZINC001601781308 1017882025 /nfs/dbraw/zinc/88/20/25/1017882025.db2.gz OVKMBNUUJMDOAV-VHSXEESVSA-N -1 0 308.338 -0.051 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNCc1nnc2n1CCCCC2 ZINC001601780882 1017882152 /nfs/dbraw/zinc/88/21/52/1017882152.db2.gz NCNWVJODXNIVLY-MNOVXSKESA-N -1 0 321.381 -0.069 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCN(C(=O)Cc1cc[nH]n1)C1CC1 ZINC001601782377 1017882461 /nfs/dbraw/zinc/88/24/61/1017882461.db2.gz QPHNAUOSOCCJGI-NWDGAFQWSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)c2cn[nH]n2)CC1 ZINC001601782238 1017882580 /nfs/dbraw/zinc/88/25/80/1017882580.db2.gz XJORWVUAMSYELY-RKDXNWHRSA-N -1 0 307.310 -0.800 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001601783303 1017882657 /nfs/dbraw/zinc/88/26/57/1017882657.db2.gz WULWMXMTRVEMBN-BDAKNGLRSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2nccs2)C1 ZINC001601781767 1017883051 /nfs/dbraw/zinc/88/30/51/1017883051.db2.gz TUGBVTCKEGSAEY-DTWKUNHWSA-N -1 0 311.363 -0.473 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)c2cn[nH]n2)CC1 ZINC001601782237 1017883374 /nfs/dbraw/zinc/88/33/74/1017883374.db2.gz XJORWVUAMSYELY-IUCAKERBSA-N -1 0 307.310 -0.800 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]2C(=O)N([C@@H]3CC(=O)N(C4CC4)C3)C(=O)N2C1 ZINC001601797156 1017883854 /nfs/dbraw/zinc/88/38/54/1017883854.db2.gz FENIOOFFIBPBTG-IEBDPFPHSA-N -1 0 321.333 -0.123 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCN(C(=O)c1cccnn1)C1CC1 ZINC001601785012 1017884162 /nfs/dbraw/zinc/88/41/62/1017884162.db2.gz WRDFZZZYWXTORO-QWRGUYRKSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001601784375 1017884196 /nfs/dbraw/zinc/88/41/96/1017884196.db2.gz VRMVQMMQGVIEKN-RNWYCLNJSA-N -1 0 308.334 -0.826 20 0 DBADRM O=C([O-])[C@H]1CC[C@H]2C(=O)N(CCCn3ccnn3)C(=O)N2C1 ZINC001601797292 1017884206 /nfs/dbraw/zinc/88/42/06/1017884206.db2.gz GLWQNZCBNBVQKA-UWVGGRQHSA-N -1 0 307.310 -0.204 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2ccc(F)nc2)C1 ZINC001601783959 1017884314 /nfs/dbraw/zinc/88/43/14/1017884314.db2.gz XUIHFNOFTWDVDG-NXEZZACHSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCO[C@H](CF)C2)C1=O ZINC001601815231 1017885016 /nfs/dbraw/zinc/88/50/16/1017885016.db2.gz BCXFXJMVFXPCEL-ZJUUUORDSA-N -1 0 302.302 -0.494 20 0 DBADRM CCOCC(=O)NC[C@@H]1CCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC001498921061 1017885108 /nfs/dbraw/zinc/88/51/08/1017885108.db2.gz SOMGYOHJLKPASP-LBPRGKRZSA-N -1 0 319.365 -0.250 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCO[C@@H](CF)C2)C1=O ZINC001601815229 1017885416 /nfs/dbraw/zinc/88/54/16/1017885416.db2.gz BCXFXJMVFXPCEL-VHSXEESVSA-N -1 0 302.302 -0.494 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCC[C@H]2c2nc[nH]n2)C1=O ZINC001601817068 1017885487 /nfs/dbraw/zinc/88/54/87/1017885487.db2.gz DIQHDTYOUJPOBR-ZJUUUORDSA-N -1 0 321.337 -0.209 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@H](CCCO)C2)C1=O ZINC001601817120 1017885514 /nfs/dbraw/zinc/88/55/14/1017885514.db2.gz DUPDGTBHRRQRNH-NWDGAFQWSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC001601813140 1017885532 /nfs/dbraw/zinc/88/55/32/1017885532.db2.gz BQLIBANLSFPVGE-GWOFURMSSA-N -1 0 307.368 -0.301 20 0 DBADRM O=C([O-])[C@H]1CC[C@H]2C(=O)N(CC(=O)N3CCCC3)C(=O)N2C1 ZINC001601800748 1017885581 /nfs/dbraw/zinc/88/55/81/1017885581.db2.gz YHWLMWVOZCJZOJ-UWVGGRQHSA-N -1 0 309.322 -0.264 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC[C@@]3(CCOC3)C2)C1=O ZINC001601818130 1017886019 /nfs/dbraw/zinc/88/60/19/1017886019.db2.gz JFICYAFOVRRLBZ-XHDPSFHLSA-N -1 0 310.350 -0.051 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC001601819571 1017886518 /nfs/dbraw/zinc/88/65/18/1017886518.db2.gz DZQOPYMERFQRCY-VHSXEESVSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])C1CCN(C(=O)COC(=O)[C@]2(F)CCOC2)CC1 ZINC001601822977 1017886587 /nfs/dbraw/zinc/88/65/87/1017886587.db2.gz RWWASBMZPZPSIJ-ZDUSSCGKSA-N -1 0 303.286 -0.019 20 0 DBADRM O=C([O-])[C@H]1CCN1C(=O)CCn1nnc2ccccc2c1=O ZINC001601833420 1017887033 /nfs/dbraw/zinc/88/70/33/1017887033.db2.gz GUQNRHCQQUXYJH-LLVKDONJSA-N -1 0 302.290 -0.133 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@@H](O)c2ccco2)CC1 ZINC001601830308 1017887386 /nfs/dbraw/zinc/88/73/86/1017887386.db2.gz TYUUVJMPVWXUIE-SNVBAGLBSA-N -1 0 318.351 -0.056 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N(CCO[C@H]3CCOC3)C(=O)[C@H]2C1 ZINC001601838977 1017887416 /nfs/dbraw/zinc/88/74/16/1017887416.db2.gz AVUAKUNNVNEUMO-OUAUKWLOSA-N -1 0 312.322 -0.081 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCO[C@@H](C(=O)C3CC3)C2)CC1 ZINC001601823147 1017887425 /nfs/dbraw/zinc/88/74/25/1017887425.db2.gz KUBBARAQIYLLHL-CYBMUJFWSA-N -1 0 324.377 -0.011 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC001601829675 1017887736 /nfs/dbraw/zinc/88/77/36/1017887736.db2.gz CPTPATYQTNNIMT-VHSXEESVSA-N -1 0 310.347 -0.568 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCC[C@@H](O)C2CC2)CC1 ZINC001601830315 1017887759 /nfs/dbraw/zinc/88/77/59/1017887759.db2.gz UOYJRRLAKIZKQD-LLVKDONJSA-N -1 0 306.384 -0.222 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2CCOCC2CCC2)CCO1 ZINC001601850459 1017888049 /nfs/dbraw/zinc/88/80/49/1017888049.db2.gz OCNLYYANBSAOPG-LLVKDONJSA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2CCOC23CCOCC3)CCO1 ZINC001601844241 1017888077 /nfs/dbraw/zinc/88/80/77/1017888077.db2.gz ROFJVQDJBLDHRM-GHMZBOCLSA-N -1 0 314.338 -0.181 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3n[nH]c(=S)n3c2)CCO1 ZINC001601847010 1017888237 /nfs/dbraw/zinc/88/82/37/1017888237.db2.gz HZYGMMFYCAWJIW-MRVPVSSYSA-N -1 0 308.319 -0.056 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2CCOCC(F)F)CCO1 ZINC001601849265 1017888379 /nfs/dbraw/zinc/88/83/79/1017888379.db2.gz FMBFBYGPNHZWOA-ZETCQYMHSA-N -1 0 307.257 -0.755 20 0 DBADRM O=C([O-])[C@@H]1CN(Cc2nnnn2CC2CCOCC2)CCO1 ZINC001601848561 1017888570 /nfs/dbraw/zinc/88/85/70/1017888570.db2.gz DLRRIXFGGNFUIO-NSHDSACASA-N -1 0 311.342 -0.615 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cc1cncc(O)c1 ZINC001601854080 1017889234 /nfs/dbraw/zinc/88/92/34/1017889234.db2.gz NPSJSXFZUFDORL-SNVBAGLBSA-N -1 0 314.319 -0.960 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001601853928 1017889484 /nfs/dbraw/zinc/88/94/84/1017889484.db2.gz FVHRIKFATKBTOY-QMMMGPOBSA-N -1 0 321.742 -0.753 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)/C=C/C1CCOCC1 ZINC001601853836 1017889558 /nfs/dbraw/zinc/88/95/58/1017889558.db2.gz YPULEHRWFCETPV-FMBMQGQPSA-N -1 0 317.363 -0.321 20 0 DBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)CCOCC1CCC1 ZINC001601853710 1017889616 /nfs/dbraw/zinc/88/96/16/1017889616.db2.gz LDPSQEMPSXZMMV-NSHDSACASA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@H]1CCCOC1 ZINC001601853738 1017889945 /nfs/dbraw/zinc/88/99/45/1017889945.db2.gz MROUTQIMQHHHBS-ZJUUUORDSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc2cc[nH]c2n1 ZINC001601853954 1017889988 /nfs/dbraw/zinc/88/99/88/1017889988.db2.gz HPXMWWDLIKLUNH-SNVBAGLBSA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001601851954 1017890040 /nfs/dbraw/zinc/89/00/40/1017890040.db2.gz HNCPLXQLLKENJM-SECBINFHSA-N -1 0 303.336 -0.877 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001601854616 1017890302 /nfs/dbraw/zinc/89/03/02/1017890302.db2.gz RIXRVZLCJUOWFA-VIFPVBQESA-N -1 0 313.335 -0.778 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ncc2ccccn21 ZINC001601854544 1017890418 /nfs/dbraw/zinc/89/04/18/1017890418.db2.gz NTDPMNQXJPTBQC-SNVBAGLBSA-N -1 0 323.330 -0.342 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)c2nc3n(n2)CCCN3)C1 ZINC001601856432 1017890552 /nfs/dbraw/zinc/89/05/52/1017890552.db2.gz OBEQKEFFQDYTCE-QMMMGPOBSA-N -1 0 311.367 -0.759 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1nnc(C2CC2)o1 ZINC001601854318 1017890611 /nfs/dbraw/zinc/89/06/11/1017890611.db2.gz BLMDPWKEKBRGGM-QMMMGPOBSA-N -1 0 301.324 -0.369 20 0 DBADRM O=C([O-])/C=C\c1ccc(C(=O)OCC(=O)N2CCNC(=O)C2)o1 ZINC001601878228 1017890903 /nfs/dbraw/zinc/89/09/03/1017890903.db2.gz ZKUWFGDCZLUZNQ-RQOWECAXSA-N -1 0 322.273 -0.507 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)c1ccncc1 ZINC001601898695 1017891059 /nfs/dbraw/zinc/89/10/59/1017891059.db2.gz PKPGLJHDLZCGNQ-HKUMRIAESA-N -1 0 322.317 -0.874 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)C(=O)N1CCC(CO)CC1)C1CC1 ZINC001601889554 1017891206 /nfs/dbraw/zinc/89/12/06/1017891206.db2.gz AJMPDZMWLROQDX-GFCCVEGCSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)NCCCc1ccccc1 ZINC001601908145 1017891263 /nfs/dbraw/zinc/89/12/63/1017891263.db2.gz ASZFAKSRYFQQBP-GFCCVEGCSA-N -1 0 308.334 -0.313 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C1CC1 ZINC001601906970 1017891406 /nfs/dbraw/zinc/89/14/06/1017891406.db2.gz OGEHNQGUXSYAKY-RKDXNWHRSA-N -1 0 323.309 -0.630 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1cccc(F)c1F ZINC001601908504 1017891678 /nfs/dbraw/zinc/89/16/78/1017891678.db2.gz FQHPGMBNRSRSGP-ZCFIWIBFSA-N -1 0 302.233 -0.145 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC001601909733 1017891973 /nfs/dbraw/zinc/89/19/73/1017891973.db2.gz ULRLRFLNRJNTSB-ZETCQYMHSA-N -1 0 302.233 -0.145 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC001601909336 1017892002 /nfs/dbraw/zinc/89/20/02/1017892002.db2.gz CQUSSKVFAUUJDP-VIFPVBQESA-N -1 0 324.289 -0.903 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Nc1cccc2c1CCNC2=O ZINC001601911857 1017892250 /nfs/dbraw/zinc/89/22/50/1017892250.db2.gz LITGVAZTBZMBHW-QMMMGPOBSA-N -1 0 307.306 -0.070 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)c1ccc(Cn2ccnn2)cc1 ZINC001601911667 1017892366 /nfs/dbraw/zinc/89/23/66/1017892366.db2.gz WQQSRBYRGBTSLU-GFCCVEGCSA-N -1 0 304.306 -0.108 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC001601911051 1017892445 /nfs/dbraw/zinc/89/24/45/1017892445.db2.gz SDTDIYKZMZVUKR-JTQLQIEISA-N -1 0 321.333 -0.117 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Cn1nnc(-c2ccccc2)n1 ZINC001601911922 1017892541 /nfs/dbraw/zinc/89/25/41/1017892541.db2.gz NJVYGEHZBXWUMO-JTQLQIEISA-N -1 0 305.294 -0.708 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)CCCC1CCOCC1 ZINC001601912727 1017892545 /nfs/dbraw/zinc/89/25/45/1017892545.db2.gz MFDBGMYEOJDADS-LLVKDONJSA-N -1 0 309.384 -0.052 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC001601911942 1017892733 /nfs/dbraw/zinc/89/27/33/1017892733.db2.gz NUBQERAMAFXCAF-MRVPVSSYSA-N -1 0 321.289 -0.946 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)c1cnc(C2OCCO2)s1 ZINC001601913084 1017892931 /nfs/dbraw/zinc/89/29/31/1017892931.db2.gz USZLWXJMYNJQRQ-LURJTMIESA-N -1 0 302.308 -0.246 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)[C@@H]2CCCS(=O)(=O)C2)CCOC1 ZINC001601924747 1017893114 /nfs/dbraw/zinc/89/31/14/1017893114.db2.gz AGDGQVCNGJYELT-BXKDBHETSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)[C@@H]2CCCS(=O)(=O)C2)CCCOC1 ZINC001601925964 1017893152 /nfs/dbraw/zinc/89/31/52/1017893152.db2.gz WCOGOGYPNDFIPF-ZWNOBZJWSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])CC1(CNS(=O)(=O)[C@H]2CCOC2)CCOCC1 ZINC001601923309 1017893258 /nfs/dbraw/zinc/89/32/58/1017893258.db2.gz YKTQZANNRDLERH-JTQLQIEISA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CCCOC1 ZINC001601926158 1017893288 /nfs/dbraw/zinc/89/32/88/1017893288.db2.gz GERGYCMOJMQAFA-YMTOWFKASA-N -1 0 324.337 -0.314 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@@H]2CCOC2)CCS(=O)(=O)CC1 ZINC001601926459 1017893446 /nfs/dbraw/zinc/89/34/46/1017893446.db2.gz RWEOSWKFYAHYAG-SECBINFHSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)[C@H]2CCCS(=O)(=O)C2)CCCOC1 ZINC001601925960 1017893487 /nfs/dbraw/zinc/89/34/87/1017893487.db2.gz WCOGOGYPNDFIPF-GXFFZTMASA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)[C@@H]2CCS(=O)(=O)C2)CCCOC1 ZINC001601926148 1017893577 /nfs/dbraw/zinc/89/35/77/1017893577.db2.gz FRKYJVNYWMSJPM-SKDRFNHKSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])CC1(COC(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001601921474 1017893634 /nfs/dbraw/zinc/89/36/34/1017893634.db2.gz CHSSBOLGEUZGEE-UHFFFAOYSA-N -1 0 306.278 -0.311 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)CNC(=O)c2cccc(O)c2)CCOC1 ZINC001601926736 1017893806 /nfs/dbraw/zinc/89/38/06/1017893806.db2.gz BWNYXLWUSBDGSE-OAHLLOKOSA-N -1 0 322.317 -0.128 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@@]2(F)CCS(=O)(=O)C2)CCOCC1 ZINC001601925388 1017893949 /nfs/dbraw/zinc/89/39/49/1017893949.db2.gz MYNDXSSSIWERID-GFCCVEGCSA-N -1 0 323.342 -0.347 20 0 DBADRM O=C([O-])CC1(NC(=O)CN2CCC(=O)NC2=O)CCOCC1 ZINC001601926924 1017893963 /nfs/dbraw/zinc/89/39/63/1017893963.db2.gz KFLKKRPWGNFTBX-UHFFFAOYSA-N -1 0 313.310 -0.932 20 0 DBADRM O=C([O-])CC1(NC(=O)COCC2CC2)CCS(=O)(=O)CC1 ZINC001601927530 1017894372 /nfs/dbraw/zinc/89/43/72/1017894372.db2.gz OJZSABYHHPVWQJ-UHFFFAOYSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C[C@H](O)CCC1(O)CCC1 ZINC001601940578 1017895065 /nfs/dbraw/zinc/89/50/65/1017895065.db2.gz UZCWATNVEYPBDB-GHMZBOCLSA-N -1 0 300.355 -0.682 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1occ2c1CCOC2 ZINC001601938852 1017895141 /nfs/dbraw/zinc/89/51/41/1017895141.db2.gz DSJVBDCJBHEQPV-JTQLQIEISA-N -1 0 308.290 -0.232 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cc1cnn2c1CCCC2 ZINC001601940175 1017895256 /nfs/dbraw/zinc/89/52/56/1017895256.db2.gz RJOFZHNJQXSYJD-LBPRGKRZSA-N -1 0 320.349 -0.436 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1nnc2ccccc2n1 ZINC001601939418 1017895397 /nfs/dbraw/zinc/89/53/97/1017895397.db2.gz MFUNNEJIEZLQKN-JTQLQIEISA-N -1 0 315.289 -0.560 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cc1ccccc1CO ZINC001601938887 1017895404 /nfs/dbraw/zinc/89/54/04/1017895404.db2.gz HLYLVSRFOUAUKC-LBPRGKRZSA-N -1 0 306.318 -0.477 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001601940149 1017895454 /nfs/dbraw/zinc/89/54/54/1017895454.db2.gz RDTXCPGHMLVDAC-KCJUWKMLSA-N -1 0 306.322 -0.684 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CCn1cc(Cl)cn1 ZINC001601939128 1017895568 /nfs/dbraw/zinc/89/55/68/1017895568.db2.gz MBCADRMHJYCQGF-SECBINFHSA-N -1 0 314.729 -0.272 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C[C@@H](O)CCC1(O)CCC1 ZINC001601940589 1017895598 /nfs/dbraw/zinc/89/55/98/1017895598.db2.gz UZCWATNVEYPBDB-QWRGUYRKSA-N -1 0 300.355 -0.682 20 0 DBADRM O=C([O-])CC1CC(NC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)C1 ZINC001601944212 1017895810 /nfs/dbraw/zinc/89/58/10/1017895810.db2.gz VFRRUFSRXMHTPU-TVUZUIDESA-N -1 0 311.338 -0.461 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2CCOCC3(CC3)C2)C1 ZINC001601941558 1017895849 /nfs/dbraw/zinc/89/58/49/1017895849.db2.gz NURRUFZKJRNBNA-UHFFFAOYSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cnc(C2CC2)[nH]c1=O ZINC001601943165 1017895882 /nfs/dbraw/zinc/89/58/82/1017895882.db2.gz ZNLRRVOIXMNRNR-SECBINFHSA-N -1 0 320.305 -0.525 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cnn2c1NCCC2 ZINC001601942302 1017895983 /nfs/dbraw/zinc/89/59/83/1017895983.db2.gz QVTNOAQUXMAOCJ-VIFPVBQESA-N -1 0 307.310 -0.886 20 0 DBADRM O=C([O-])CC1CC(NC(=O)CNC(=O)c2ncccc2O)C1 ZINC001601941925 1017896417 /nfs/dbraw/zinc/89/64/17/1017896417.db2.gz BRBINECUXXFEGA-UHFFFAOYSA-N -1 0 307.306 -0.114 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)C1 ZINC001601941537 1017896686 /nfs/dbraw/zinc/89/66/86/1017896686.db2.gz NBTHDFCXZIUFNB-ZPCPWSMKSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)c1c[nH]nc1Cl ZINC001601941919 1017896856 /nfs/dbraw/zinc/89/68/56/1017896856.db2.gz WAKVLKYZAQCZJB-YFKPBYRVSA-N -1 0 322.730 -0.973 20 0 DBADRM O=C([O-])CC1CCN(C(=O)C(=O)NCc2ncccn2)CC1 ZINC001601954607 1017897057 /nfs/dbraw/zinc/89/70/57/1017897057.db2.gz MVOYEMSSMONIMO-UHFFFAOYSA-N -1 0 306.322 -0.194 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)NCc1nnc2n1CCC2 ZINC001601952487 1017897213 /nfs/dbraw/zinc/89/72/13/1017897213.db2.gz SLGCRWALOCLRJY-SECBINFHSA-N -1 0 321.337 -0.694 20 0 DBADRM O=C([O-])C[C@H]1CCCN1c1nnnn1CCCN1CCOCC1 ZINC001601953428 1017897341 /nfs/dbraw/zinc/89/73/41/1017897341.db2.gz HBCAHCNRYIQPJX-GFCCVEGCSA-N -1 0 324.385 -0.161 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCCc2ccco2)CCO1 ZINC001601957752 1017897379 /nfs/dbraw/zinc/89/73/79/1017897379.db2.gz JOJUORBUXIZKJG-LLVKDONJSA-N -1 0 310.306 -0.360 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC=CO2)CCO1 ZINC001601959055 1017897521 /nfs/dbraw/zinc/89/75/21/1017897521.db2.gz TVWVTKGBWBORSX-WDEREUQCSA-N -1 0 312.322 -0.503 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CCc3nncn3CC2)CCO1 ZINC001601957718 1017897699 /nfs/dbraw/zinc/89/76/99/1017897699.db2.gz DQOIVSMZIYXCHX-MNOVXSKESA-N -1 0 308.338 -0.067 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)CNC(=O)c1ncccc1O ZINC001601950951 1017897803 /nfs/dbraw/zinc/89/78/03/1017897803.db2.gz XSXZHZJXVDSOLZ-SECBINFHSA-N -1 0 307.306 -0.017 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C[C@H]2CCCS2(=O)=O)CCO1 ZINC001601958266 1017897840 /nfs/dbraw/zinc/89/78/40/1017897840.db2.gz XZNANPDDAJRGDN-NXEZZACHSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)NCCc1cnccn1 ZINC001601952744 1017898006 /nfs/dbraw/zinc/89/80/06/1017898006.db2.gz VFFZJSAWYKMMMS-NSHDSACASA-N -1 0 306.322 -0.399 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCCO[C@H]2CCOC2)CCO1 ZINC001601960342 1017898314 /nfs/dbraw/zinc/89/83/14/1017898314.db2.gz RLAKQXUSYOMKEZ-WDEREUQCSA-N -1 0 302.327 -0.323 20 0 DBADRM O=C([O-])C[C@@H]1CN(Cn2nnc(-c3cscn3)n2)CCO1 ZINC001601961492 1017898358 /nfs/dbraw/zinc/89/83/58/1017898358.db2.gz CNESAGMRXDXFGR-MRVPVSSYSA-N -1 0 310.339 -0.070 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CC3)C2)CCO1 ZINC001601959433 1017898364 /nfs/dbraw/zinc/89/83/64/1017898364.db2.gz WIUIDAWPUOJUGP-VXGBXAGGSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)CCO1 ZINC001601959746 1017898601 /nfs/dbraw/zinc/89/86/01/1017898601.db2.gz XMHXKPORZKNYEV-XHNCKOQMSA-N -1 0 318.276 -0.588 20 0 DBADRM O=C([O-])C[C@H]1COCCN1S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001601965395 1017899055 /nfs/dbraw/zinc/89/90/55/1017899055.db2.gz OLRFXTMPVGUWBH-UKKRHICBSA-N -1 0 305.352 -0.188 20 0 DBADRM O=C([O-])C[C@@H]1CSCC[N@H+]1C[C@H](O)C[C@@]1(O)CCOC1 ZINC001601968608 1017898924 /nfs/dbraw/zinc/89/89/24/1017898924.db2.gz AMGXQFZCWNNMIN-WZRBSPASSA-N -1 0 305.396 -0.219 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)C[C@@H]1CC(=O)NC1=O ZINC001601966760 1017898973 /nfs/dbraw/zinc/89/89/73/1017898973.db2.gz CSHSDQUUXAFECP-YUMQZZPRSA-N -1 0 300.336 -0.542 20 0 DBADRM O=C([O-])C[C@H]1COCCN1Cc1nnn(CC(F)(F)F)n1 ZINC001601965240 1017899262 /nfs/dbraw/zinc/89/92/62/1017899262.db2.gz MAHUDFJMPXOEMA-ZETCQYMHSA-N -1 0 309.248 -0.089 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1CCOCC(F)F ZINC001601967854 1017899268 /nfs/dbraw/zinc/89/92/68/1017899268.db2.gz IUXIDMQOGLAOIR-MRVPVSSYSA-N -1 0 301.311 -0.158 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001601964769 1017899327 /nfs/dbraw/zinc/89/93/27/1017899327.db2.gz BAZPHKKLGKHGHY-MNOVXSKESA-N -1 0 324.337 -0.370 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCCOCC1 ZINC001601965223 1017899390 /nfs/dbraw/zinc/89/93/90/1017899390.db2.gz LMJGCSWQBFSNEN-MNOVXSKESA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1Cc1cnn(CCF)c1 ZINC001601968206 1017899484 /nfs/dbraw/zinc/89/94/84/1017899484.db2.gz LVGDVMYBQHIASG-LLVKDONJSA-N -1 0 319.358 -0.074 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1Cc1ncnn1CCF ZINC001601968918 1017900469 /nfs/dbraw/zinc/90/04/69/1017900469.db2.gz WCCUQHYSPRGHQU-VIFPVBQESA-N -1 0 320.346 -0.679 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001601987272 1017903647 /nfs/dbraw/zinc/90/36/47/1017903647.db2.gz ZEEXARWMOHGHIN-MNOVXSKESA-N -1 0 309.384 -0.364 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CCC[C@@H](N3CCNC3=O)C2)C1=O ZINC001602009530 1017909588 /nfs/dbraw/zinc/90/95/88/1017909588.db2.gz JCJHCHYWAUTXEO-NEPJUHHUSA-N -1 0 324.381 -0.448 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)C1CS(=O)(=O)C1 ZINC001602005684 1017910372 /nfs/dbraw/zinc/91/03/72/1017910372.db2.gz IREBLXHUZVSBEF-JTQLQIEISA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)[C@H]2CCNC(=O)CC2)C1=O ZINC001602015077 1017913574 /nfs/dbraw/zinc/91/35/74/1017913574.db2.gz IWTBASSMSGDFFY-ZJUUUORDSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001602016496 1017913795 /nfs/dbraw/zinc/91/37/95/1017913795.db2.gz KJPSKACLRHRUNU-SNVBAGLBSA-N -1 0 320.349 -0.321 20 0 DBADRM O=C([O-])CCN1CCC[C@H](OC(=O)c2cc[n+]([O-])cc2)C1=O ZINC001602013825 1017914927 /nfs/dbraw/zinc/91/49/27/1017914927.db2.gz JNNUTCRQVZZVGS-NSHDSACASA-N -1 0 308.290 -0.058 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CCN(c3nc[nH]n3)CC2)C1=O ZINC001602015427 1017915220 /nfs/dbraw/zinc/91/52/20/1017915220.db2.gz LBFSXSSWIMOGAY-JTQLQIEISA-N -1 0 308.342 -0.998 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CCN3C(=O)OCC[C@@H]3C2)C1=O ZINC001602014899 1017915548 /nfs/dbraw/zinc/91/55/48/1017915548.db2.gz GOKOOLNSGUMSMV-GHMZBOCLSA-N -1 0 311.338 -0.412 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)/C=C/Cn2cncn2)C1=O ZINC001602014975 1017916565 /nfs/dbraw/zinc/91/65/65/1017916565.db2.gz HWJPCGVZWVFJRA-TXXBHVLJSA-N -1 0 308.294 -0.547 20 0 DBADRM O=C([O-])CCN1CCC[C@H](OC(=O)[C@H]2COCCO2)C1=O ZINC001602014477 1017917210 /nfs/dbraw/zinc/91/72/10/1017917210.db2.gz YXQPPMUUIUBIEL-VHSXEESVSA-N -1 0 301.295 -0.589 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)/C=C/Cn2cncn2)C1=O ZINC001602014976 1017917405 /nfs/dbraw/zinc/91/74/05/1017917405.db2.gz HWJPCGVZWVFJRA-YOLVWIGZSA-N -1 0 308.294 -0.547 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@H]1COc2ccccc2O1 ZINC001602016610 1017917523 /nfs/dbraw/zinc/91/75/23/1017917523.db2.gz NVZIVXVVILWENE-GFCCVEGCSA-N -1 0 322.317 -0.076 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cnc2c[nH]nc2c1 ZINC001602018874 1017917987 /nfs/dbraw/zinc/91/79/87/1017917987.db2.gz YMLRTPUNWOCUMZ-UHFFFAOYSA-N -1 0 305.294 -0.331 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001602019132 1017918099 /nfs/dbraw/zinc/91/80/99/1017918099.db2.gz JGIJSBWBAFIYAJ-JTQLQIEISA-N -1 0 323.353 -0.453 20 0 DBADRM O=C([O-])CCNC(=O)CCNc1cnc(N2CCCC2=O)cn1 ZINC001602019269 1017919238 /nfs/dbraw/zinc/91/92/38/1017919238.db2.gz GQEGACBBMQTNOE-UHFFFAOYSA-N -1 0 321.337 -0.004 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1n[nH]c2c1CCCC2 ZINC001602018152 1017919466 /nfs/dbraw/zinc/91/94/66/1017919466.db2.gz KXWUJKNGMMVQHH-UHFFFAOYSA-N -1 0 308.338 -0.001 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCC[C@H]1CCCO1 ZINC001602019144 1017920202 /nfs/dbraw/zinc/92/02/02/1017920202.db2.gz JLHYPSMMBBCDSL-SNVBAGLBSA-N -1 0 301.343 -0.164 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCC1CCOCC1 ZINC001602019108 1017921094 /nfs/dbraw/zinc/92/10/94/1017921094.db2.gz INDFDLMNUNHULW-UHFFFAOYSA-N -1 0 301.343 -0.307 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)[C@H]1COc2ccccc2O1 ZINC001602021584 1017921739 /nfs/dbraw/zinc/92/17/39/1017921739.db2.gz MUENAXYCRPVMDX-LLVKDONJSA-N -1 0 309.274 -0.040 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NO[C@H]1CCCCO1 ZINC001602020886 1017922932 /nfs/dbraw/zinc/92/29/32/1017922932.db2.gz TZTDVJMSHKXTOG-NSHDSACASA-N -1 0 303.315 -0.275 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)Nc1cnc2nccn2c1 ZINC001602020895 1017923070 /nfs/dbraw/zinc/92/30/70/1017923070.db2.gz ULQFOTYWLYTMAE-UHFFFAOYSA-N -1 0 320.309 -0.168 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)CNC(=O)c1ccsc1 ZINC001602022083 1017924630 /nfs/dbraw/zinc/92/46/30/1017924630.db2.gz SXEHSLJSZUJQHM-UHFFFAOYSA-N -1 0 314.319 -0.388 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCOC[C@@H]1C[C@H]1CCOC1 ZINC001602022515 1017924678 /nfs/dbraw/zinc/92/46/78/1017924678.db2.gz ZLMXHQXLQXFYDA-NEPJUHHUSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)CN1CCCCCC1=O ZINC001602022084 1017924999 /nfs/dbraw/zinc/92/49/99/1017924999.db2.gz SXXSKEXLCFCKOB-UHFFFAOYSA-N -1 0 300.311 -0.477 20 0 DBADRM O=C([O-])CCc1csc(NC(=O)NN2CC(=O)NC2=O)n1 ZINC001602046595 1017926418 /nfs/dbraw/zinc/92/64/18/1017926418.db2.gz PASIXEOMHLNXGS-UHFFFAOYSA-N -1 0 313.295 -0.251 20 0 DBADRM O=C([O-])CN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C1CC1 ZINC001602049551 1017926720 /nfs/dbraw/zinc/92/67/20/1017926720.db2.gz FGDPOSUPZLBUIZ-OLZOCXBDSA-N -1 0 312.366 -0.058 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCC(=O)NCC(F)F)O1 ZINC001602037374 1017927740 /nfs/dbraw/zinc/92/77/40/1017927740.db2.gz OZKPRBMVNCBCEF-JGVFFNPUSA-N -1 0 308.281 -0.104 20 0 DBADRM O=C([O-])CC[C@H]1NC(=O)N(CCC(=O)N2CCOCC2)C1=O ZINC001602039364 1017927855 /nfs/dbraw/zinc/92/78/55/1017927855.db2.gz SVRRHTXBKSQTDZ-SECBINFHSA-N -1 0 313.310 -0.980 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)NC2CC(CO)(CO)C2)O1 ZINC001602037365 1017928080 /nfs/dbraw/zinc/92/80/80/1017928080.db2.gz NYTPCVASFOSTBC-WDEREUQCSA-N -1 0 301.339 -0.352 20 0 DBADRM O=C([O-])CCSCCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001602028637 1017928771 /nfs/dbraw/zinc/92/87/71/1017928771.db2.gz IXGXXUCOQBXFMC-MRVPVSSYSA-N -1 0 314.367 -0.130 20 0 DBADRM O=C([O-])CC[C@H]1NC(=O)N([C@@H]2CC(=O)N(CC3CC3)C2)C1=O ZINC001602038355 1017928826 /nfs/dbraw/zinc/92/88/26/1017928826.db2.gz IXSPXJZISPRGAZ-NXEZZACHSA-N -1 0 309.322 -0.218 20 0 DBADRM O=C([O-])CN(CCC(F)(F)F)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001602052906 1017929892 /nfs/dbraw/zinc/92/98/92/1017929892.db2.gz CRUVYBURXDXBJE-LURJTMIESA-N -1 0 310.228 -0.095 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@H](O)c1ccccn1 ZINC001602054857 1017931466 /nfs/dbraw/zinc/93/14/66/1017931466.db2.gz HZXFTNAJIDCNFO-CQSZACIVSA-N -1 0 323.349 -0.640 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@H]1C[C@]12CCOC2 ZINC001602054879 1017931962 /nfs/dbraw/zinc/93/19/62/1017931962.db2.gz KCVFMBILLLXPPL-WFASDCNBSA-N -1 0 312.366 -0.342 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CCc1cncnc1 ZINC001602054897 1017931981 /nfs/dbraw/zinc/93/19/81/1017931981.db2.gz MJXRORCWCUHVPZ-UHFFFAOYSA-N -1 0 322.365 -0.345 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1c1cncc(OCCO)n1 ZINC001602065855 1017934477 /nfs/dbraw/zinc/93/44/77/1017934477.db2.gz OUJHWMHDJWNNRQ-VIFPVBQESA-N -1 0 310.310 -0.983 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H](CCCO)c1ccccc1 ZINC001602065958 1017934502 /nfs/dbraw/zinc/93/45/02/1017934502.db2.gz MFELWULVBWPZKA-LBPRGKRZSA-N -1 0 308.334 -0.140 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H](O)c1cccnc1 ZINC001602064099 1017934987 /nfs/dbraw/zinc/93/49/87/1017934987.db2.gz KCTGIACHETZSKL-PWSUYJOCSA-N -1 0 307.306 -0.693 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H](O)c1cccnc1 ZINC001602064097 1017935065 /nfs/dbraw/zinc/93/50/65/1017935065.db2.gz KCTGIACHETZSKL-CMPLNLGQSA-N -1 0 307.306 -0.693 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)/C=C\c1cncc(O)c1 ZINC001602064264 1017935204 /nfs/dbraw/zinc/93/52/04/1017935204.db2.gz NFEVAUSJFRCSCB-MVZIDQBPSA-N -1 0 319.317 -0.008 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001602064534 1017935664 /nfs/dbraw/zinc/93/56/64/1017935664.db2.gz YWKWHRDFZLINKX-GXSJLCMTSA-N -1 0 323.349 -0.811 20 0 DBADRM O=C([O-])CN1CCN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001602063357 1017935788 /nfs/dbraw/zinc/93/57/88/1017935788.db2.gz QPGQGMFUSQKKHC-NSHDSACASA-N -1 0 318.395 -0.570 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001602064536 1017935919 /nfs/dbraw/zinc/93/59/19/1017935919.db2.gz YWKWHRDFZLINKX-MWLCHTKSSA-N -1 0 323.349 -0.811 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)C(=O)c1ccc(O)cc1 ZINC001602064359 1017936209 /nfs/dbraw/zinc/93/62/09/1017936209.db2.gz RWCQBPLBFYALQQ-NSHDSACASA-N -1 0 320.301 -0.233 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cscn1 ZINC001602065295 1017937114 /nfs/dbraw/zinc/93/71/14/1017937114.db2.gz GYMIHNUVMIRUPC-ZETCQYMHSA-N -1 0 319.364 -0.503 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1CC(=O)Nc1nccs1 ZINC001602068264 1017938789 /nfs/dbraw/zinc/93/87/89/1017938789.db2.gz NHDQVDZJGHQAFZ-QMMMGPOBSA-N -1 0 312.351 -0.253 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Cc1cccc2nsnc21 ZINC001602069299 1017938882 /nfs/dbraw/zinc/93/88/82/1017938882.db2.gz XKYYBOWVJYVFFT-UHFFFAOYSA-N -1 0 308.319 -0.449 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC001602069336 1017939706 /nfs/dbraw/zinc/93/97/06/1017939706.db2.gz ZWSPEHABODPCKA-ZETCQYMHSA-N -1 0 322.243 -0.306 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cn2cccnc2n1 ZINC001602066963 1017941119 /nfs/dbraw/zinc/94/11/19/1017941119.db2.gz OMEHWTCUROQQOG-JTQLQIEISA-N -1 0 317.305 -0.465 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C[C@@H]1CCCS(=O)(=O)C1 ZINC001602065993 1017941280 /nfs/dbraw/zinc/94/12/80/1017941280.db2.gz ASRCHMNKOLJKLB-WDEREUQCSA-N -1 0 318.395 -0.524 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc(C(F)(F)F)c[nH]c1=O ZINC001602069366 1017941867 /nfs/dbraw/zinc/94/18/67/1017941867.db2.gz BSHRCAODSUCNKR-UHFFFAOYSA-N -1 0 321.211 -0.263 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)C[C@H]1COc2ccccc2O1 ZINC001602069095 1017942488 /nfs/dbraw/zinc/94/24/88/1017942488.db2.gz JWFDHXKCLQCJSK-VIFPVBQESA-N -1 0 308.290 -0.467 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Cc1nnc(-c2ccccc2)o1 ZINC001602068888 1017942556 /nfs/dbraw/zinc/94/25/56/1017942556.db2.gz CNJGEELNEIXULX-UHFFFAOYSA-N -1 0 318.289 -0.404 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc(F)cc2nccnc21 ZINC001602069681 1017945022 /nfs/dbraw/zinc/94/50/22/1017945022.db2.gz XCCGAIUMWPNLCR-UHFFFAOYSA-N -1 0 306.253 -0.301 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)C[C@@H]1CCC1(F)F ZINC001602071033 1017945319 /nfs/dbraw/zinc/94/53/19/1017945319.db2.gz VQPUZQUWPHRFNW-LURJTMIESA-N -1 0 300.283 -0.848 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1csc([C@H]2CCCO2)n1 ZINC001602069754 1017946275 /nfs/dbraw/zinc/94/62/75/1017946275.db2.gz BHXXPDJMSUPWNP-MRVPVSSYSA-N -1 0 313.335 -0.075 20 0 DBADRM O=C([O-])CNC(=O)CNCc1cn(Cc2cccnc2)nn1 ZINC001602071008 1017946530 /nfs/dbraw/zinc/94/65/30/1017946530.db2.gz SXZZSNLKSJCAPL-UHFFFAOYSA-N -1 0 304.310 -0.988 20 0 DBADRM O=C([O-])COCC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001602076088 1017947363 /nfs/dbraw/zinc/94/73/63/1017947363.db2.gz GJPBGEKXWGSUFK-JTQLQIEISA-N -1 0 320.367 -0.886 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1ccc(Cl)nc1 ZINC001602077950 1017947453 /nfs/dbraw/zinc/94/74/53/1017947453.db2.gz OFVNYHWXLWPGRM-UHFFFAOYSA-N -1 0 301.686 -0.109 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1ccnn1CC1CC1 ZINC001602077567 1017948733 /nfs/dbraw/zinc/94/87/33/1017948733.db2.gz BCRDQBDCDIAUPX-UHFFFAOYSA-N -1 0 310.310 -0.551 20 0 DBADRM O=C([O-])COCC(=O)OCc1nnnn1CC1CCOCC1 ZINC001602077846 1017950001 /nfs/dbraw/zinc/95/00/01/1017950001.db2.gz MOTDYOPNILGIJU-UHFFFAOYSA-N -1 0 314.298 -0.756 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC001602079821 1017951563 /nfs/dbraw/zinc/95/15/63/1017951563.db2.gz UKNKCOZIKHNFDR-RYUDHWBXSA-N -1 0 316.354 -0.075 20 0 DBADRM O=C([O-])COCCNC(=O)Nc1cccnc1-n1cncn1 ZINC001602080985 1017952050 /nfs/dbraw/zinc/95/20/50/1017952050.db2.gz XSVXQRHSTQTNMU-UHFFFAOYSA-N -1 0 306.282 -0.115 20 0 DBADRM O=C([O-])COCCNC(=O)NC[C@H](O)COc1ccccc1 ZINC001602079941 1017952082 /nfs/dbraw/zinc/95/20/82/1017952082.db2.gz VTLGTWICHIQVEI-NSHDSACASA-N -1 0 312.322 -0.173 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001602080015 1017952259 /nfs/dbraw/zinc/95/22/59/1017952259.db2.gz ZGPSMBCFMMEXLS-DTWKUNHWSA-N -1 0 301.299 -0.773 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCOC[C@H]1C[C@H]1CCOC1 ZINC001602079822 1017952447 /nfs/dbraw/zinc/95/24/47/1017952447.db2.gz UKNKCOZIKHNFDR-VXGBXAGGSA-N -1 0 316.354 -0.075 20 0 DBADRM O=C([O-])COCCNC(=O)N[C@H]1COc2ccccc2[C@@H]1O ZINC001602079828 1017952483 /nfs/dbraw/zinc/95/24/83/1017952483.db2.gz UXSWVYNXAIUTGX-GWCFXTLKSA-N -1 0 310.306 -0.119 20 0 DBADRM O=C([O-])CSCCC(=O)N1CC2(C1)CC(=O)Nc1nccn12 ZINC001602096754 1017953142 /nfs/dbraw/zinc/95/31/42/1017953142.db2.gz DPEXQXGKQVSYJD-UHFFFAOYSA-N -1 0 324.362 -0.029 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N2CCC(CO)(CO)C2)cc1 ZINC001602080219 1017953589 /nfs/dbraw/zinc/95/35/89/1017953589.db2.gz HUBGMNVKQPHCFR-UHFFFAOYSA-N -1 0 309.318 -0.033 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H](O)C2)cc1 ZINC001602131551 1017956309 /nfs/dbraw/zinc/95/63/09/1017956309.db2.gz ALYUXBKSQYMLDO-PHIMTYICSA-N -1 0 315.347 -0.570 20 0 DBADRM O=C([O-])CSCCNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001602100336 1017956546 /nfs/dbraw/zinc/95/65/46/1017956546.db2.gz PODBQROHBNBQBN-UHFFFAOYSA-N -1 0 311.319 -0.040 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)NCCN2CCNC(=O)C2)C1 ZINC001602112009 1017956810 /nfs/dbraw/zinc/95/68/10/1017956810.db2.gz MQSIRTCNYJIMIK-MNOVXSKESA-N -1 0 312.370 -0.639 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)N2CC[C@H](O)[C@H](CO)C2)n1 ZINC001602136109 1017957062 /nfs/dbraw/zinc/95/70/62/1017957062.db2.gz LBUGXCUATGROSG-ONGXEEELSA-N -1 0 309.322 -0.084 20 0 DBADRM O=C([O-])CSCCNC(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001602100085 1017957241 /nfs/dbraw/zinc/95/72/41/1017957241.db2.gz FBALCZHGCHFOCA-LBPRGKRZSA-N -1 0 301.368 -0.274 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@@H]2CNC(=O)c3ccccc32)n[nH]1 ZINC001602154221 1017958966 /nfs/dbraw/zinc/95/89/66/1017958966.db2.gz GECRRTHBJOTDMS-SECBINFHSA-N -1 0 315.289 -0.103 20 0 DBADRM O=C([O-])Cc1occc1C(=O)N1CCN(c2nc[nH]n2)CC1 ZINC001602156537 1017960007 /nfs/dbraw/zinc/96/00/07/1017960007.db2.gz GRYBKSUFUQZEAD-UHFFFAOYSA-N -1 0 305.294 -0.013 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)NC[C@]2(O)CCOC2)c1 ZINC001602142016 1017961569 /nfs/dbraw/zinc/96/15/69/1017961569.db2.gz HPBNZONUAAAXQG-CYBMUJFWSA-N -1 0 315.347 -0.257 20 0 DBADRM O=C([O-])Cn1cc(CN2CCC[C@H](N3CCNC3=O)C2)nn1 ZINC001602163134 1017963332 /nfs/dbraw/zinc/96/33/32/1017963332.db2.gz XSZDQYLLRKFQAF-NSHDSACASA-N -1 0 308.342 -0.648 20 0 DBADRM O=C([O-])Cn1cc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)nn1 ZINC001602162850 1017964081 /nfs/dbraw/zinc/96/40/81/1017964081.db2.gz LQJUPGWGCRFTNQ-GFCCVEGCSA-N -1 0 323.353 -0.814 20 0 DBADRM O=C([O-])Cn1cc(CCn2nnc3cc(F)ccc3c2=O)nn1 ZINC001602161290 1017965186 /nfs/dbraw/zinc/96/51/86/1017965186.db2.gz VKNSRFVNOUWKLZ-UHFFFAOYSA-N -1 0 318.268 -0.151 20 0 DBADRM O=C([O-])Cn1cc(CN2CCC(N3CCNC3=O)CC2)nn1 ZINC001602161360 1017965375 /nfs/dbraw/zinc/96/53/75/1017965375.db2.gz XYILHRAZDYHLSN-UHFFFAOYSA-N -1 0 308.342 -0.648 20 0 DBADRM O=C([O-])Cn1cc(CCN2CCN3CC(F)(F)C[C@H]3C2)nn1 ZINC001602159226 1017965644 /nfs/dbraw/zinc/96/56/44/1017965644.db2.gz JESUGULYLIFDTO-NSHDSACASA-N -1 0 315.324 -0.070 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2COC[C@@H]2C2CC2)cn1 ZINC001602163997 1017967374 /nfs/dbraw/zinc/96/73/74/1017967374.db2.gz JLSVISHJDPZJKT-MNOVXSKESA-N -1 0 315.351 -0.329 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(Cc1ncnn1CCF)c2=O ZINC001602167822 1017968800 /nfs/dbraw/zinc/96/88/00/1017968800.db2.gz YPFSCVWMGDXNQX-UHFFFAOYSA-N -1 0 321.272 -0.713 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCC(CN2CCNC2=O)CC1 ZINC001602170172 1017969500 /nfs/dbraw/zinc/96/95/00/1017969500.db2.gz XTSFRHLZWQDOSB-JTQLQIEISA-N -1 0 316.333 -0.144 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC001602169883 1017970016 /nfs/dbraw/zinc/97/00/16/1017970016.db2.gz NHOXURKDIHATNZ-BDAKNGLRSA-N -1 0 302.306 -0.392 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001602168733 1017970478 /nfs/dbraw/zinc/97/04/78/1017970478.db2.gz AHLKXPMFOCWOMN-DCAQKATOSA-N -1 0 303.334 -0.350 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(C[C@@H]1CC3(CC3)C(=O)O1)c2=O ZINC001602167409 1017970538 /nfs/dbraw/zinc/97/05/38/1017970538.db2.gz OYIRQRLDNDMNTN-QMMMGPOBSA-N -1 0 318.289 -0.227 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC001602169792 1017970665 /nfs/dbraw/zinc/97/06/65/1017970665.db2.gz MJUHIVJEWWESFD-UWVGGRQHSA-N -1 0 316.333 -0.985 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(-n2cncn2)c1 ZINC001602192342 1017971885 /nfs/dbraw/zinc/97/18/85/1017971885.db2.gz XBZKTMNVNRWOOL-NEPJUHHUSA-N -1 0 302.290 -0.073 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001602195000 1017972166 /nfs/dbraw/zinc/97/21/66/1017972166.db2.gz UQJCAXBKMSHLEA-GWOFURMSSA-N -1 0 316.379 -0.217 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)Cn1cc(Br)cn1 ZINC001602190839 1017973666 /nfs/dbraw/zinc/97/36/66/1017973666.db2.gz KUTMJGFQONWZDN-SFYZADRCSA-N -1 0 318.127 -0.308 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)[C@@H]1COC[C@H]1O ZINC001602193920 1017973782 /nfs/dbraw/zinc/97/37/82/1017973782.db2.gz NXDVUTAAWIULIP-KKJSVHSVSA-N -1 0 319.379 -0.206 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CN1C(=O)COc2ccccc21 ZINC001602190763 1017974333 /nfs/dbraw/zinc/97/43/33/1017974333.db2.gz GRNJCXHLGMKHFG-KOLCDFICSA-N -1 0 320.301 -0.542 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CCc1nnc(C(F)F)o1 ZINC001602190996 1017974589 /nfs/dbraw/zinc/97/45/89/1017974589.db2.gz VYNGABWCFGYAEM-RITPCOANSA-N -1 0 305.237 -0.014 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)C1 ZINC001602180679 1017974682 /nfs/dbraw/zinc/97/46/82/1017974682.db2.gz XODHWCTUPOTCOG-DCIZZLLESA-N -1 0 307.393 -0.225 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N(CC[NH+]2CCSCC2)C1=O ZINC001602198800 1017975342 /nfs/dbraw/zinc/97/53/42/1017975342.db2.gz TVHMOYLTSSCCDX-OPRDCNLKSA-N -1 0 313.379 -0.324 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N(CCOC[C@H]2CCCO2)C1=O ZINC001602198411 1017976812 /nfs/dbraw/zinc/97/68/12/1017976812.db2.gz IYULAOWCWRAABH-GWOFURMSSA-N -1 0 312.322 -0.177 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)[C@H]3CC34CCS(=O)(=O)CC4)C[C@@H]21 ZINC001602206163 1017976834 /nfs/dbraw/zinc/97/68/34/1017976834.db2.gz HIAOXVUAXDRYSI-YTWAJWBKSA-N -1 0 313.375 -0.010 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)CCCF ZINC001602197444 1017977311 /nfs/dbraw/zinc/97/73/11/1017977311.db2.gz GNMWWEUHXTVKBZ-YUMQZZPRSA-N -1 0 301.274 -0.658 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@]2(CCOC2=O)C1 ZINC001602202182 1017977918 /nfs/dbraw/zinc/97/79/18/1017977918.db2.gz VCHKVPFYZUNBDZ-GPCCPHFNSA-N -1 0 312.322 -0.175 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)C=C1CCC1 ZINC001602198216 1017977933 /nfs/dbraw/zinc/97/79/33/1017977933.db2.gz WHECASGHVZZKSN-UWVGGRQHSA-N -1 0 307.306 -0.297 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)N=S3(=O)CCCC3)C[C@@H]21 ZINC001602205878 1017978229 /nfs/dbraw/zinc/97/82/29/1017978229.db2.gz BJIZZXSYYRIXEX-BRPSZJMVSA-N -1 0 308.381 -0.245 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cnn2c1OCCC2 ZINC001602197657 1017978536 /nfs/dbraw/zinc/97/85/36/1017978536.db2.gz KWZUSRQUUMOTGH-YUMQZZPRSA-N -1 0 319.314 -0.149 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]21 ZINC001602207139 1017980163 /nfs/dbraw/zinc/98/01/63/1017980163.db2.gz YSHMUMNHAYOLAB-QAHWYCSRSA-N -1 0 304.306 -0.448 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)C1(S(=O)(=O)c2ccccc2)CC1 ZINC001602208979 1017980244 /nfs/dbraw/zinc/98/02/44/1017980244.db2.gz WDXKAFNNSKGEGN-JTQLQIEISA-N -1 0 313.331 -0.445 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)c[nH]1 ZINC001602242717 1017981042 /nfs/dbraw/zinc/98/10/42/1017981042.db2.gz DIXYSFBMOBVPGI-UHFFFAOYSA-N -1 0 304.310 -0.211 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)on1 ZINC001602247361 1017981545 /nfs/dbraw/zinc/98/15/45/1017981545.db2.gz ZWVYBOPAWLFAMP-SSDOTTSWSA-N -1 0 319.277 -0.123 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)ccn1 ZINC001602244252 1017982447 /nfs/dbraw/zinc/98/24/47/1017982447.db2.gz YWQLSQWGJJIWHM-NWDGAFQWSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)ccn1 ZINC001602244251 1017983026 /nfs/dbraw/zinc/98/30/26/1017983026.db2.gz YWQLSQWGJJIWHM-NEPJUHHUSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@H](CO)[C@H](O)c2ccccn2)on1 ZINC001602245335 1017983176 /nfs/dbraw/zinc/98/31/76/1017983176.db2.gz NTUIXGLATBSUHQ-MWLCHTKSSA-N -1 0 307.262 -0.408 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H](O)CC(F)(F)C2)on1 ZINC001602289287 1017984893 /nfs/dbraw/zinc/98/48/93/1017984893.db2.gz VJJGBGXSBQIVFR-YFKPBYRVSA-N -1 0 312.250 -0.237 20 0 DBADRM O=C([O-])c1cc(F)ccc1S(=O)(=O)NCC1(CO)COC1 ZINC001602276141 1017985184 /nfs/dbraw/zinc/98/51/84/1017985184.db2.gz SUNXXDFPWAOGJZ-UHFFFAOYSA-N -1 0 319.310 -0.189 20 0 DBADRM O=C([O-])c1cc(CNC(=O)c2nc3n(n2)CCCN3)ccn1 ZINC001602259248 1017985210 /nfs/dbraw/zinc/98/52/10/1017985210.db2.gz XYERKGBSZOCLID-UHFFFAOYSA-N -1 0 302.294 -0.626 20 0 DBADRM O=C([O-])c1cc(Cl)ccc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 ZINC001602266582 1017985996 /nfs/dbraw/zinc/98/59/96/1017985996.db2.gz ANCFWWREKIUIDT-IUCAKERBSA-N -1 0 321.738 -0.236 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CO[C@H](C3CC3)C2)n[nH]1 ZINC001602294341 1017986127 /nfs/dbraw/zinc/98/61/27/1017986127.db2.gz YJWKNNILSKMWMG-APPZFPTMSA-N -1 0 301.324 -0.046 20 0 DBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)c1F ZINC001602272685 1017986374 /nfs/dbraw/zinc/98/63/74/1017986374.db2.gz CYQCHSXMDFCTSH-OCAPTIKFSA-N -1 0 323.273 -0.611 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCSCCCO)n[nH]1 ZINC001602295204 1017987581 /nfs/dbraw/zinc/98/75/81/1017987581.db2.gz OCKHQBXAMDUSFU-UHFFFAOYSA-N -1 0 309.369 -0.498 20 0 DBADRM O=C([O-])c1ccc(C(=O)N(CCO)CCN2CCOCC2)o1 ZINC001602317657 1017987856 /nfs/dbraw/zinc/98/78/56/1017987856.db2.gz ICMIASXUGBLDSP-UHFFFAOYSA-N -1 0 312.322 -0.256 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2CCO)o1 ZINC001602319631 1017988940 /nfs/dbraw/zinc/98/89/40/1017988940.db2.gz OGSIVFTYFULZFR-MRVPVSSYSA-N -1 0 317.319 -0.401 20 0 DBADRM O=C([O-])c1ccc(C(=O)CN2C(=O)N[C@@]3(CCOC3)C2=O)o1 ZINC001602315719 1017989004 /nfs/dbraw/zinc/98/90/04/1017989004.db2.gz DDKQDOVDIIHFEP-CYBMUJFWSA-N -1 0 308.246 -0.129 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)N2C[C@@H](O)[C@H](CO)C2)s1 ZINC001602342047 1017991128 /nfs/dbraw/zinc/99/11/28/1017991128.db2.gz ZZYWSROZEAKCRD-IONNQARKSA-N -1 0 300.336 -0.059 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N2CCN(C(=O)CO)CC2)cc1 ZINC001602334456 1017991344 /nfs/dbraw/zinc/99/13/44/1017991344.db2.gz YBTGPLCZGPGGBC-UHFFFAOYSA-N -1 0 306.318 -0.410 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N(CCO)CCOCCO)cc1 ZINC001602333226 1017991740 /nfs/dbraw/zinc/99/17/40/1017991740.db2.gz PQSPXPIQFKQTCL-UHFFFAOYSA-N -1 0 311.334 -0.243 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N(CCO)CCOCCO)cn1 ZINC001602332890 1017992051 /nfs/dbraw/zinc/99/20/51/1017992051.db2.gz KXQOTFONXXGQBR-UHFFFAOYSA-N -1 0 312.322 -0.848 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC2CN(c3ccncn3)C2)o1 ZINC001602398472 1017992795 /nfs/dbraw/zinc/99/27/95/1017992795.db2.gz DFKUVOOAUZCNFR-UHFFFAOYSA-N -1 0 324.318 -0.065 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCc2ccc(=O)[nH]n2)cn1 ZINC001602400849 1017995124 /nfs/dbraw/zinc/99/51/24/1017995124.db2.gz RHMREUXFIWOOJW-UHFFFAOYSA-N -1 0 310.291 -0.246 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCO[C@@H]2CCOC2)cn1 ZINC001602399247 1017995344 /nfs/dbraw/zinc/99/53/44/1017995344.db2.gz XWFVTLKKYJISFN-SECBINFHSA-N -1 0 316.335 -0.136 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCO[C@]3(CCOC3)C2)c1=O ZINC001602475342 1017997683 /nfs/dbraw/zinc/99/76/83/1017997683.db2.gz FJWYSCQFWAGYOJ-OAHLLOKOSA-N -1 0 322.317 -0.436 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCc3c(=O)[nH]cnc3C2)n1 ZINC001602477194 1017998425 /nfs/dbraw/zinc/99/84/25/1017998425.db2.gz GMKWDGCATKJPHQ-UHFFFAOYSA-N -1 0 303.278 -0.338 20 0 DBADRM O=C([O-])c1cccc(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)n1 ZINC001602444674 1017998567 /nfs/dbraw/zinc/99/85/67/1017998567.db2.gz QFMIUSFUWZTWSS-MRVPVSSYSA-N -1 0 319.277 -0.452 20 0 DBADRM O=C([O-])c1ccccc1CCC(=O)N1CCN(C(=O)CO)CC1 ZINC001602465818 1018000864 /nfs/dbraw/zinc/00/08/64/1018000864.db2.gz XQYYEKTURMUQGW-UHFFFAOYSA-N -1 0 320.345 -0.020 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2C[C@H](O)C[C@H]2[C@H]2CCCOC2)n1 ZINC001602476366 1018000945 /nfs/dbraw/zinc/00/09/45/1018000945.db2.gz ABORQEBTDSQHNG-LOWVWBTDSA-N -1 0 323.349 -0.030 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)NC[C@@H]1CN2CCN1CC2 ZINC001602489054 1018001329 /nfs/dbraw/zinc/00/13/29/1018001329.db2.gz QISVIVZQVDZBNO-SECBINFHSA-N -1 0 315.351 -0.744 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)C2)nn1 ZINC001602492087 1018001897 /nfs/dbraw/zinc/00/18/97/1018001897.db2.gz QKPVDDKQHTVBAD-UXCLJVHYSA-N -1 0 321.337 -0.032 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N2CCN(CCO)CC2)n1 ZINC001602478631 1018002360 /nfs/dbraw/zinc/00/23/60/1018002360.db2.gz ICPNXCQNRYTHPB-UHFFFAOYSA-N -1 0 310.354 -0.502 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N[C@@H]2C(=O)NCC23CCOCC3)c1 ZINC001602479222 1018002663 /nfs/dbraw/zinc/00/26/63/1018002663.db2.gz NWVLCPICBLQIPQ-LLVKDONJSA-N -1 0 319.317 -0.195 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)NC1CN(c2ccncn2)C1 ZINC001602487998 1018003340 /nfs/dbraw/zinc/00/33/40/1018003340.db2.gz ANJPKXQOJZTORX-UHFFFAOYSA-N -1 0 324.318 -0.065 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)C2)nn1 ZINC001602492086 1018003785 /nfs/dbraw/zinc/00/37/85/1018003785.db2.gz QKPVDDKQHTVBAD-SVDPJWKOSA-N -1 0 321.337 -0.032 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)CN3CCOCC3)C2)nn1 ZINC001602492766 1018005507 /nfs/dbraw/zinc/00/55/07/1018005507.db2.gz KGDCQQHJPPBERP-SNVBAGLBSA-N -1 0 309.326 -0.918 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(CN3CC4(COC4)CC3=O)C2)nn1 ZINC001602498830 1018005591 /nfs/dbraw/zinc/00/55/91/1018005591.db2.gz GBQHRZZDLKESNA-SNVBAGLBSA-N -1 0 321.337 -0.571 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)CCN3CCOC3=O)C2)nn1 ZINC001602492821 1018005819 /nfs/dbraw/zinc/00/58/19/1018005819.db2.gz MMNVZJFOZVZFML-SECBINFHSA-N -1 0 323.309 -0.408 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)[C@@]3(O)CCOC3)CC2)nn1 ZINC001602493724 1018005837 /nfs/dbraw/zinc/00/58/37/1018005837.db2.gz LXJFTMNXBMSJLR-CYBMUJFWSA-N -1 0 310.310 -0.709 20 0 DBADRM O=C([O-])c1cn(C2CN(S(=O)(=O)c3cscn3)C2)nn1 ZINC001602501855 1018005930 /nfs/dbraw/zinc/00/59/30/1018005930.db2.gz YAQXZWIKMIBMJG-UHFFFAOYSA-N -1 0 315.336 -0.322 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)[C@@H]3CCNC3=O)C2)nn1 ZINC001602493931 1018006364 /nfs/dbraw/zinc/00/63/64/1018006364.db2.gz OFCWHSKMDNOPNE-DTWKUNHWSA-N -1 0 307.310 -0.724 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@H]3CCc4cncn4C3)C2)nn1 ZINC001602501951 1018006776 /nfs/dbraw/zinc/00/67/76/1018006776.db2.gz JTPVNVZCOUWESH-VIFPVBQESA-N -1 0 316.321 -0.181 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@H]3COC[C@@H]3C2)nn1 ZINC001602503586 1018007141 /nfs/dbraw/zinc/00/71/41/1018007141.db2.gz MVIDUPCOJFFEDV-UWVGGRQHSA-N -1 0 309.326 -0.346 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2C[C@@H]3CCC[C@]3(CO)C2)nn1 ZINC001602503766 1018007148 /nfs/dbraw/zinc/00/71/48/1018007148.db2.gz USWPVANJKYPTOM-IINYFYTJSA-N -1 0 323.353 -0.220 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3cnn4c3OCCC4)C2)nn1 ZINC001602502110 1018007254 /nfs/dbraw/zinc/00/72/54/1018007254.db2.gz LMWIWNYDQMROJU-UHFFFAOYSA-N -1 0 318.293 -0.348 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@H](n3cncn3)C2)nn1 ZINC001602503544 1018007383 /nfs/dbraw/zinc/00/73/83/1018007383.db2.gz KPAKPIDHPBIFRE-VIFPVBQESA-N -1 0 320.313 -0.776 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2ccnn2C(F)F)nn1 ZINC001602502836 1018007636 /nfs/dbraw/zinc/00/76/36/1018007636.db2.gz KTGGDYFKXQPWFL-UHFFFAOYSA-N -1 0 300.225 -0.002 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@@H]3COC[C@@H]3C2)nn1 ZINC001602503588 1018007846 /nfs/dbraw/zinc/00/78/46/1018007846.db2.gz MVIDUPCOJFFEDV-ZJUUUORDSA-N -1 0 309.326 -0.346 20 0 DBADRM O=C([O-])c1cn(CCOC(=O)c2cc3c(cn2)OCCO3)nn1 ZINC001602504174 1018007983 /nfs/dbraw/zinc/00/79/83/1018007983.db2.gz CGRPDTWRCXWWNJ-UHFFFAOYSA-N -1 0 320.261 -0.001 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC(O[C@@H]3CCOC3)CC2)nn1 ZINC001602503161 1018008397 /nfs/dbraw/zinc/00/83/97/1018008397.db2.gz UZYWRZORGCDNRF-LLVKDONJSA-N -1 0 324.337 -0.227 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@H]3COC[C@H]3C2)nn1 ZINC001602503587 1018008452 /nfs/dbraw/zinc/00/84/52/1018008452.db2.gz MVIDUPCOJFFEDV-VHSXEESVSA-N -1 0 309.326 -0.346 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCOC3(CCOCC3)CC2)nn1 ZINC001602504268 1018008940 /nfs/dbraw/zinc/00/89/40/1018008940.db2.gz NDDNLMTURUTXFJ-UHFFFAOYSA-N -1 0 324.337 -0.226 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3cncc4nc[nH]c43)C2)nn1 ZINC001602502388 1018008989 /nfs/dbraw/zinc/00/89/89/1018008989.db2.gz WESWDPLIPCHUGC-UHFFFAOYSA-N -1 0 313.277 -0.055 20 0 DBADRM O=C([O-])c1cnc(CNC(=O)N2CCN3C(=O)N=NC3C2)s1 ZINC001602522528 1018009784 /nfs/dbraw/zinc/00/97/84/1018009784.db2.gz JGOXMSVPMZHMTN-UHFFFAOYSA-N -1 0 324.322 -0.136 20 0 DBADRM O=C([O-])c1cnc(N2CCC3(CC2)C[C@H](O)CNC3=O)cn1 ZINC001602524483 1018010059 /nfs/dbraw/zinc/01/00/59/1018010059.db2.gz DXPUIFCNGHNWKS-VIFPVBQESA-N -1 0 306.322 -0.358 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCc1nncn1C1CC1 ZINC001602507178 1018010813 /nfs/dbraw/zinc/01/08/13/1018010813.db2.gz PHCOYWLXMUKUKU-UHFFFAOYSA-N -1 0 312.311 -0.487 20 0 DBADRM O=C([O-])c1cn(CN2CCCS(=O)(=O)C[C@@H]2C2CC2)nn1 ZINC001602504915 1018010874 /nfs/dbraw/zinc/01/08/74/1018010874.db2.gz CNPDGHWISGHJLH-LLVKDONJSA-N -1 0 314.367 -0.167 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C2(O)CCSCC2)nn1 ZINC001602504806 1018011360 /nfs/dbraw/zinc/01/13/60/1018011360.db2.gz ZJJOQFPHCUJBLS-UHFFFAOYSA-N -1 0 300.340 -0.649 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)nc1 ZINC001602524665 1018011376 /nfs/dbraw/zinc/01/13/76/1018011376.db2.gz FOQZKKYYNKAVKR-NNYUYHANSA-N -1 0 318.333 -0.238 20 0 DBADRM O=C([O-])c1cnc(N2CCC[C@H]2CNC(=O)c2nnc[nH]2)nc1 ZINC001602526196 1018013398 /nfs/dbraw/zinc/01/33/98/1018013398.db2.gz BPLCKNKTIMZDOK-VIFPVBQESA-N -1 0 317.309 -0.308 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)c3csnn3)CC2)nc1 ZINC001602527350 1018013444 /nfs/dbraw/zinc/01/34/44/1018013444.db2.gz PQNQGYUMALJXMP-UHFFFAOYSA-N -1 0 320.334 -0.011 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)c2cccnc2)nc1 ZINC001602529738 1018013852 /nfs/dbraw/zinc/01/38/52/1018013852.db2.gz IJAPEEKMFWMYRT-NSHDSACASA-N -1 0 317.305 -0.227 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)[C@H]2CC23CC3)nc1 ZINC001602529065 1018014104 /nfs/dbraw/zinc/01/41/04/1018014104.db2.gz BIFQFLRFUILZGY-NXEZZACHSA-N -1 0 306.322 -0.136 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)[C@@H]3CCOC3)C2)nc1 ZINC001602527128 1018014329 /nfs/dbraw/zinc/01/43/29/1018014329.db2.gz NAQFBCOGIKWADW-MWLCHTKSSA-N -1 0 306.322 -0.094 20 0 DBADRM O=C([O-])c1cncc(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)c1 ZINC001602536739 1018014940 /nfs/dbraw/zinc/01/49/40/1018014940.db2.gz HFFJPDQXPRRJDY-GFCCVEGCSA-N -1 0 317.305 -0.088 20 0 DBADRM O=C([O-])c1coc(C(=O)N2CCC(C(=O)NCCO)CC2)c1 ZINC001602548992 1018015603 /nfs/dbraw/zinc/01/56/03/1018015603.db2.gz XKJOBKDREUWKDE-UHFFFAOYSA-N -1 0 310.306 -0.062 20 0 DBADRM O=C([O-])c1cncc(N2CCC(C(=O)NCCCO)CC2)n1 ZINC001602540706 1018015880 /nfs/dbraw/zinc/01/58/80/1018015880.db2.gz SJLKOAUDXIHKQG-UHFFFAOYSA-N -1 0 308.338 -0.110 20 0 DBADRM O=C([O-])c1cnc(NCCN(CCO)C(=O)[C@@H]2CCOC2)nc1 ZINC001602532446 1018016707 /nfs/dbraw/zinc/01/67/07/1018016707.db2.gz TWRNZWVKGQZWIU-SNVBAGLBSA-N -1 0 324.337 -0.556 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CC(C3CS(=O)(=O)C3)C2)c1 ZINC001602544088 1018016722 /nfs/dbraw/zinc/01/67/22/1018016722.db2.gz FDUBTWNHGNHNCB-UHFFFAOYSA-N -1 0 313.335 -0.916 20 0 DBADRM O=C([O-])c1nc(C(=O)N2CCO[C@H](Cn3ccnn3)C2)cs1 ZINC001602567464 1018017519 /nfs/dbraw/zinc/01/75/19/1018017519.db2.gz SMJSPABPVXXQMZ-QMMMGPOBSA-N -1 0 323.334 -0.026 20 0 DBADRM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC001602569989 1018017912 /nfs/dbraw/zinc/01/79/12/1018017912.db2.gz FBGAWTQKTYDSFB-OLQVQODUSA-N -1 0 322.726 -0.841 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2C[C@H](CCO)[C@H](CO)C2)c1 ZINC001602555723 1018018403 /nfs/dbraw/zinc/01/84/03/1018018403.db2.gz KNDDVNFEQSFZCE-WPRPVWTQSA-N -1 0 319.335 -0.411 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)c2nccs2)n1 ZINC001602572991 1018018467 /nfs/dbraw/zinc/01/84/67/1018018467.db2.gz BRHDJYRYQJSNTB-SSDOTTSWSA-N -1 0 323.334 -0.744 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2C[C@@H](CO)[C@H](CCO)C2)c1 ZINC001602555721 1018018689 /nfs/dbraw/zinc/01/86/89/1018018689.db2.gz KNDDVNFEQSFZCE-SCZZXKLOSA-N -1 0 319.335 -0.411 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2CCCN(CCO)CC2)c1 ZINC001602558225 1018018723 /nfs/dbraw/zinc/01/87/23/1018018723.db2.gz JVQWJMBRWWWFLJ-UHFFFAOYSA-N -1 0 318.351 -0.334 20 0 DBADRM O=C([O-])c1coc(CNC(=O)[C@H]2CCCCS2(=O)=O)n1 ZINC001602553500 1018019013 /nfs/dbraw/zinc/01/90/13/1018019013.db2.gz UCSVEJOTANXDEG-MRVPVSSYSA-N -1 0 302.308 -0.044 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)c3cnco3)C2)n1 ZINC001602574274 1018020439 /nfs/dbraw/zinc/02/04/39/1018020439.db2.gz GUTZYVKTSIVGMO-QMMMGPOBSA-N -1 0 303.278 -0.089 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)c2cncs2)n1 ZINC001602575346 1018020580 /nfs/dbraw/zinc/02/05/80/1018020580.db2.gz VKSCJEJAIMGXBT-ZETCQYMHSA-N -1 0 323.334 -0.744 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)[C@@H]2CC23CCC3)n1 ZINC001602575429 1018020713 /nfs/dbraw/zinc/02/07/13/1018020713.db2.gz XPYJLPADFLUGSU-ZJUUUORDSA-N -1 0 320.349 -0.324 20 0 DBADRM O=C([O-])c1nccc(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)n1 ZINC001602573830 1018021195 /nfs/dbraw/zinc/02/11/95/1018021195.db2.gz FQSLKMVFPYODMT-UBAXHVDFSA-N -1 0 319.273 -0.166 20 0 DBADRM O=C([O-])c1nccc(NC/C=C/CNC(=O)c2cnco2)n1 ZINC001602574006 1018021823 /nfs/dbraw/zinc/02/18/23/1018021823.db2.gz YSZHKDSTOHDRIS-OWOJBTEDSA-N -1 0 303.278 -0.017 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001602587265 1018022225 /nfs/dbraw/zinc/02/22/25/1018022225.db2.gz JFLAYIDJXFZURA-PHDIDXHHSA-N -1 0 310.328 -0.065 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1CCSC[C@@H]1CO ZINC001602587514 1018022387 /nfs/dbraw/zinc/02/23/87/1018022387.db2.gz WFTDEZAVVXYQPR-LURJTMIESA-N -1 0 324.405 -0.060 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001602583849 1018022846 /nfs/dbraw/zinc/02/28/46/1018022846.db2.gz SHLWOVRRDBVCSE-OHJQTGGRSA-N -1 0 322.389 -0.265 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N[C@@H](CO)c1ncc[nH]1 ZINC001602583140 1018022630 /nfs/dbraw/zinc/02/26/30/1018022630.db2.gz JYJKWFOYOPPAFZ-YFKPBYRVSA-N -1 0 318.336 -0.424 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001602584929 1018022908 /nfs/dbraw/zinc/02/29/08/1018022908.db2.gz MPPKWYHJVKIIBK-YUMQZZPRSA-N -1 0 310.262 -0.479 20 0 DBADRM O=C([O-])c1ncn(CN2CCN(C(=O)N3CCOCC3)CC2)n1 ZINC001602579980 1018023142 /nfs/dbraw/zinc/02/31/42/1018023142.db2.gz ABPIJSODHILQLX-UHFFFAOYSA-N -1 0 324.341 -0.996 20 0 DBADRM O=C([O-])c1ncoc1CNC(=O)[C@@H]1COCCN1CC(F)F ZINC001602582036 1018023776 /nfs/dbraw/zinc/02/37/76/1018023776.db2.gz NPIDHCLDTZRFOL-ZETCQYMHSA-N -1 0 319.264 -0.045 20 0 DBADRM O=C([O-])c1occc1CNC(=O)N1CCS(=O)(=O)CC1 ZINC001602589680 1018024064 /nfs/dbraw/zinc/02/40/64/1018024064.db2.gz ILAGANUSACZKEC-UHFFFAOYSA-N -1 0 302.308 -0.082 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)c3cnn(CCO)c3)C[C@H]1COCC2 ZINC001602628108 1018024471 /nfs/dbraw/zinc/02/44/71/1018024471.db2.gz SEABCXTWAJKEAT-SMDDNHRTSA-N -1 0 309.322 -0.561 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)c3cc[nH]c(=O)c3)CC2)CCOC1 ZINC001602623578 1018024575 /nfs/dbraw/zinc/02/45/75/1018024575.db2.gz HKOZZPBNXMPXDU-OAHLLOKOSA-N -1 0 321.333 -0.211 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2cnc(C3OCCO3)s2)C1 ZINC001602628037 1018024590 /nfs/dbraw/zinc/02/45/90/1018024590.db2.gz ZQFMUTBLNMEEBZ-UHFFFAOYSA-N -1 0 300.292 -0.540 20 0 DBADRM O=C([O-])C12CC(C1)CN2C(=O)c1ccc(-n2cnnn2)cn1 ZINC001602624469 1018025766 /nfs/dbraw/zinc/02/57/66/1018025766.db2.gz UZFHAHWBLYBJKV-UHFFFAOYSA-N -1 0 300.278 -0.254 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)c3cn[nH]c(=O)c3)CC2)CCOC1 ZINC001602627885 1018026185 /nfs/dbraw/zinc/02/61/85/1018026185.db2.gz PBOCVYGBROTUON-AWEZNQCLSA-N -1 0 322.321 -0.816 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC001602630088 1018026789 /nfs/dbraw/zinc/02/67/89/1018026789.db2.gz UEXXESUHGTWAEJ-LBPRGKRZSA-N -1 0 318.329 -0.307 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[C@H]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001602631272 1018027371 /nfs/dbraw/zinc/02/73/71/1018027371.db2.gz BMFXJVMWEZUAGX-WTPMCQDGSA-N -1 0 310.350 -0.272 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001602634271 1018027579 /nfs/dbraw/zinc/02/75/79/1018027579.db2.gz BGWUMBFLSNNZSC-AWEZNQCLSA-N -1 0 323.305 -0.372 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CCC1 ZINC001602634900 1018028323 /nfs/dbraw/zinc/02/83/23/1018028323.db2.gz BFAXEGHOMWGENL-SECBINFHSA-N -1 0 302.352 -0.324 20 0 DBADRM O=C([O-])c1cn([C@@H]2COC[C@H]2OC(=O)[C@H]2CCC(=O)C2)nn1 ZINC001602639602 1018028896 /nfs/dbraw/zinc/02/88/96/1018028896.db2.gz GHTKUERSKJXCHB-WHGOUJPWSA-N -1 0 309.278 -0.171 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)nn1 ZINC001602642780 1018029020 /nfs/dbraw/zinc/02/90/20/1018029020.db2.gz NPHFRGNNUSZMCE-ZJUUUORDSA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCCN2CCCC2=O)CC1 ZINC001602644034 1018029853 /nfs/dbraw/zinc/02/98/53/1018029853.db2.gz RHLCUIAYRTXXIM-UHFFFAOYSA-N -1 0 304.368 -0.217 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)CN2CCCCC(=O)C2=O)C1 ZINC001602644225 1018030709 /nfs/dbraw/zinc/03/07/09/1018030709.db2.gz VTMCAPOOQHASJX-ZDUSSCGKSA-N -1 0 300.286 -0.407 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)N[C@H]1CCC(=O)NC1=O ZINC001602638891 1018030772 /nfs/dbraw/zinc/03/07/72/1018030772.db2.gz MFXLHWXFUQLEOB-XHNCKOQMSA-N -1 0 318.351 -0.646 20 0 DBADRM O=C([O-])C1(C(=O)CN2C(=O)NC3(CCC(=O)CC3)C2=O)CC1 ZINC001602641893 1018030788 /nfs/dbraw/zinc/03/07/88/1018030788.db2.gz PTPNNNAKBUBQBE-UHFFFAOYSA-N -1 0 308.290 -0.146 20 0 DBADRM O=C([O-])c1sccc1NC(=O)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001602647312 1018031704 /nfs/dbraw/zinc/03/17/04/1018031704.db2.gz OJVCSZCNHBZPEV-LURJTMIESA-N -1 0 311.319 -0.220 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]2CCC[C@@H]21 ZINC001602649221 1018031964 /nfs/dbraw/zinc/03/19/64/1018031964.db2.gz OYEWPXBAMCGTIZ-KXUCPTDWSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C(=O)N3CCNC(=O)C3)C[C@H]1CCCC2 ZINC001602649025 1018031995 /nfs/dbraw/zinc/03/19/95/1018031995.db2.gz NJDZDKSNWXUTLT-MEBBXXQBSA-N -1 0 323.349 -0.952 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)C1 ZINC001602645360 1018032425 /nfs/dbraw/zinc/03/24/25/1018032425.db2.gz CUZZDHHTPYJDFS-OAHLLOKOSA-N -1 0 320.301 -0.032 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCC(=O)NCC12COC2 ZINC001602647013 1018032457 /nfs/dbraw/zinc/03/24/57/1018032457.db2.gz TVJSRCUNCFOUOG-WDEREUQCSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCN(C3CC3)C(=O)C2)CCC1 ZINC001602650724 1018033388 /nfs/dbraw/zinc/03/33/88/1018033388.db2.gz GPLMTSNCMFHMAG-UHFFFAOYSA-N -1 0 316.379 -0.122 20 0 DBADRM O=C([O-])c1cc(F)cc(C(=O)NCCN2CCNC(=O)C2)c1 ZINC001602650501 1018033395 /nfs/dbraw/zinc/03/33/95/1018033395.db2.gz SUNZBNWEZGESMB-UHFFFAOYSA-N -1 0 309.297 -0.315 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001602652615 1018033674 /nfs/dbraw/zinc/03/36/74/1018033674.db2.gz BXRRXUCZEHJKDH-APPZFPTMSA-N -1 0 307.262 -0.928 20 0 DBADRM O=C([O-])[C@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C1CC1 ZINC001602654730 1018033891 /nfs/dbraw/zinc/03/38/91/1018033891.db2.gz CPRAIMNRALUNLB-ZYTOWTHASA-N -1 0 309.322 -0.266 20 0 DBADRM O=C([O-])C1(NC(=O)c2cnc3c(c2)NC(=O)CO3)CCOCC1 ZINC001602653946 1018033983 /nfs/dbraw/zinc/03/39/83/1018033983.db2.gz XPPWLXVVMWOIRJ-UHFFFAOYSA-N -1 0 321.289 -0.224 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001602652478 1018034076 /nfs/dbraw/zinc/03/40/76/1018034076.db2.gz QGCQAPULMZLIQO-IUCAKERBSA-N -1 0 320.301 -0.075 20 0 DBADRM O=C([O-])[C@H](CCF)NC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001602650912 1018034293 /nfs/dbraw/zinc/03/42/93/1018034293.db2.gz QAKJYSIQOSARON-JTQLQIEISA-N -1 0 324.312 -0.440 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CNC2=O)C1CC1 ZINC001602651442 1018034438 /nfs/dbraw/zinc/03/44/38/1018034438.db2.gz GZFRZRPAFUCSBZ-LBPRGKRZSA-N -1 0 317.301 -0.039 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001602651875 1018034915 /nfs/dbraw/zinc/03/49/15/1018034915.db2.gz QSRAIJXMEULCHX-USZNOCQGSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1O)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001602653764 1018034957 /nfs/dbraw/zinc/03/49/57/1018034957.db2.gz WAIJVCSPDUMWMW-DTWKUNHWSA-N -1 0 321.289 -0.898 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)[C@@H]1CCOC(=O)N1 ZINC001602656470 1018036025 /nfs/dbraw/zinc/03/60/25/1018036025.db2.gz ORPDWGQPPGAOPN-YUMQZZPRSA-N -1 0 302.283 -0.793 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c[nH]1 ZINC001602655198 1018036200 /nfs/dbraw/zinc/03/62/00/1018036200.db2.gz OARKRHRKBUDVNW-CYBMUJFWSA-N -1 0 306.278 -0.473 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H](CC)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001499236484 1018036336 /nfs/dbraw/zinc/03/63/36/1018036336.db2.gz UORXTKHDMOECPC-HTQZYQBOSA-N -1 0 311.342 -0.047 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001602656595 1018036754 /nfs/dbraw/zinc/03/67/54/1018036754.db2.gz VNSNKYYAGGSNKN-OOJXKGFFSA-N -1 0 324.255 -0.510 20 0 DBADRM O=C([O-])c1nccnc1NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC001602655516 1018036871 /nfs/dbraw/zinc/03/68/71/1018036871.db2.gz SGIFUXGYEPUYNS-WPPNPWJKSA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C1CC1 ZINC001602655757 1018036943 /nfs/dbraw/zinc/03/69/43/1018036943.db2.gz UYDOQKJYIVQBBL-AEJSXWLSSA-N -1 0 309.322 -0.456 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)[C@H]3CCOC(=O)N3)C2)nn1 ZINC001602656488 1018037198 /nfs/dbraw/zinc/03/71/98/1018037198.db2.gz PJJHPCHBEJWCCD-HTQZYQBOSA-N -1 0 309.282 -0.752 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CC3(C2)NC(=O)NC3=O)cc1F ZINC001602655246 1018037260 /nfs/dbraw/zinc/03/72/60/1018037260.db2.gz AFHDBINHGJUGBE-UHFFFAOYSA-N -1 0 307.237 -0.442 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCC[C@@H]2CCOC2=O)CCO1 ZINC001602662126 1018037853 /nfs/dbraw/zinc/03/78/53/1018037853.db2.gz YRJMNVPYGKGMKJ-ZJUUUORDSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCC3(CCNC3=O)CC2)C1 ZINC001602657607 1018038117 /nfs/dbraw/zinc/03/81/17/1018038117.db2.gz BRZBOUPDRGDLAS-AOOOYVTPSA-N -1 0 316.379 -0.219 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)O[C@H]2C(=O)NCC23CCOCC3)O1 ZINC001602659893 1018038323 /nfs/dbraw/zinc/03/83/23/1018038323.db2.gz VUFCIRLCSAIQMY-AEJSXWLSSA-N -1 0 313.306 -0.543 20 0 DBADRM O=CN1CCCN(CC(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001602662724 1018038479 /nfs/dbraw/zinc/03/84/79/1018038479.db2.gz DWHCGULPAWINQL-UHFFFAOYSA-N -1 0 306.322 -0.118 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(S(=O)(=O)CCN2CCOC2=O)C1 ZINC001602663369 1018038555 /nfs/dbraw/zinc/03/85/55/1018038555.db2.gz QHKASGDTFJTXOO-SNVBAGLBSA-N -1 0 310.303 -0.733 20 0 DBADRM O=Cc1ccccc1OCC(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001602668666 1018041474 /nfs/dbraw/zinc/04/14/74/1018041474.db2.gz JCBXETUQJZVLBO-NSHDSACASA-N -1 0 318.289 -0.261 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001602668798 1018041691 /nfs/dbraw/zinc/04/16/91/1018041691.db2.gz VMICDDDCQQBGLJ-AEJSXWLSSA-N -1 0 306.322 -0.012 20 0 DBADRM O=Cc1cn(CC(=O)NCC(=O)NCC(=O)[O-])c2ccccc12 ZINC001602669561 1018041740 /nfs/dbraw/zinc/04/17/40/1018041740.db2.gz SIXDWUOCYKDLTD-UHFFFAOYSA-N -1 0 317.301 -0.229 20 0 DBADRM CC(=O)NC[C@H]1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001602752396 1018057949 /nfs/dbraw/zinc/05/79/49/1018057949.db2.gz BIGNNXWFYAJRSZ-SNVBAGLBSA-N -1 0 309.326 -0.649 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001602746966 1018058121 /nfs/dbraw/zinc/05/81/21/1018058121.db2.gz UESGPPSFNWQESW-SNVBAGLBSA-N -1 0 320.305 -0.545 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NCc1ccccc1C(=O)[O-])C(N)=O ZINC001602760942 1018058986 /nfs/dbraw/zinc/05/89/86/1018058986.db2.gz RWVRWWSYQITDRQ-NSHDSACASA-N -1 0 307.306 -0.619 20 0 DBADRM CC(=O)NCC[C@H]1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001602753947 1018059229 /nfs/dbraw/zinc/05/92/29/1018059229.db2.gz XNYJXFPWVKJJEB-LLVKDONJSA-N -1 0 323.353 -0.259 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])C(N)=O ZINC001602760572 1018060494 /nfs/dbraw/zinc/06/04/94/1018060494.db2.gz MUCXZVOUEVGAMM-ZJUUUORDSA-N -1 0 315.370 -0.238 20 0 DBADRM CC(=O)NCCN(C(=O)C[C@H]1CCC(=O)NC1)[C@@H](C)C(=O)[O-] ZINC001602753963 1018061124 /nfs/dbraw/zinc/06/11/24/1018061124.db2.gz YBZRNTXGRUZBDV-GXSJLCMTSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(=O)Nc1cccc(CC(=O)OCC(=O)NCC(=O)[O-])c1 ZINC001602765337 1018063192 /nfs/dbraw/zinc/06/31/92/1018063192.db2.gz WXTJTICARNPVMP-UHFFFAOYSA-N -1 0 308.290 -0.069 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC001602802255 1018066547 /nfs/dbraw/zinc/06/65/47/1018066547.db2.gz SWXFEEQUIUZHMJ-UWVGGRQHSA-N -1 0 318.337 -0.118 20 0 DBADRM C=CC(=O)NCCC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001602798637 1018066760 /nfs/dbraw/zinc/06/67/60/1018066760.db2.gz VFMYKVDHRJCFRV-VIFPVBQESA-N -1 0 300.311 -0.599 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC001602804727 1018067220 /nfs/dbraw/zinc/06/72/20/1018067220.db2.gz JVSRMGWRUJDEQL-JGVFFNPUSA-N -1 0 321.376 -0.280 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)C1CCN(S(N)(=O)=O)CC1)C1CC1 ZINC001602814109 1018067297 /nfs/dbraw/zinc/06/72/97/1018067297.db2.gz DTXPMJCARJQRDE-MRVPVSSYSA-N -1 0 319.383 -0.634 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001602851807 1018068476 /nfs/dbraw/zinc/06/84/76/1018068476.db2.gz CEPXXNHULTZNKR-QPUJVOFHSA-N -1 0 307.368 -0.601 20 0 DBADRM COc1cccc(C(=O)NCCNC(=O)CCc2nnn[n-]2)c1 ZINC001602830716 1018069161 /nfs/dbraw/zinc/06/91/61/1018069161.db2.gz DTJMLYGPNWHLTE-UHFFFAOYSA-N -1 0 318.337 -0.313 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NC1CCN(S(N)(=O)=O)CC1 ZINC001602852965 1018069799 /nfs/dbraw/zinc/06/97/99/1018069799.db2.gz WSUOZQJFXLSCMC-VIFPVBQESA-N -1 0 321.399 -0.483 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@@H]2CCS(=O)(=O)N2)cn1 ZINC001602838394 1018069840 /nfs/dbraw/zinc/06/98/40/1018069840.db2.gz RTRQHTCFWDTEJV-QMMMGPOBSA-N -1 0 316.339 -0.667 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC001602847143 1018070468 /nfs/dbraw/zinc/07/04/68/1018070468.db2.gz GXSKVTWPJVHFQE-MRVPVSSYSA-N -1 0 307.372 -0.919 20 0 DBADRM CC(C)(C)OC(=O)N1CC(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001602882760 1018072243 /nfs/dbraw/zinc/07/22/43/1018072243.db2.gz LDDINJRTDRUUBM-VIFPVBQESA-N -1 0 313.310 -0.049 20 0 DBADRM CC(C)(C)N1C[C@@H](NC(=O)c2cn(CC(=O)[O-])nn2)CC1=O ZINC001602868764 1018074066 /nfs/dbraw/zinc/07/40/66/1018074066.db2.gz QDPWCFBBLXDTHY-QMMMGPOBSA-N -1 0 309.326 -0.508 20 0 DBADRM CC(=O)N1CC[C@@H](OC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001602931210 1018077259 /nfs/dbraw/zinc/07/72/59/1018077259.db2.gz XTWXDPGMMQGQRT-IONNQARKSA-N -1 0 320.313 -0.817 20 0 DBADRM C/C(=C\CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC001602964642 1018084491 /nfs/dbraw/zinc/08/44/91/1018084491.db2.gz QTGVXADBXRGAHY-KLVUZYOQSA-N -1 0 302.396 -0.178 20 0 DBADRM CC(C)(CNC(N)=O)NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001602948600 1018084525 /nfs/dbraw/zinc/08/45/25/1018084525.db2.gz IRZTYNCSKDWRDZ-BDAKNGLRSA-N -1 0 301.343 -0.181 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC001602966080 1018086344 /nfs/dbraw/zinc/08/63/44/1018086344.db2.gz TXEINHJBMPZSLI-VWYCJHECSA-N -1 0 319.379 -0.242 20 0 DBADRM C[C@H](C(=O)N(C)[C@H]1CCCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001602990165 1018088827 /nfs/dbraw/zinc/08/88/27/1018088827.db2.gz VZTWHZXUKHTKHM-BDAKNGLRSA-N -1 0 306.330 -0.343 20 0 DBADRM CC(C)[C@@H](CNC(=O)NC[C@]1(CO)COCCN1C)C(=O)[O-] ZINC001602983392 1018089154 /nfs/dbraw/zinc/08/91/54/1018089154.db2.gz PBIFZTLJTZGJOB-RISCZKNCSA-N -1 0 317.386 -0.665 20 0 DBADRM C/C(=C/CNC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC001602971732 1018089640 /nfs/dbraw/zinc/08/96/40/1018089640.db2.gz CYNSNSAWQXMERA-JDEZKBKISA-N -1 0 313.354 -0.048 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC001602970842 1018089926 /nfs/dbraw/zinc/08/99/26/1018089926.db2.gz WLUSMGZGPJPMFC-MWLCHTKSSA-N -1 0 314.338 -0.247 20 0 DBADRM CC(C)[C@@H](CNC(=O)NC[C@@]1(CO)COCCN1C)C(=O)[O-] ZINC001602983390 1018090318 /nfs/dbraw/zinc/09/03/18/1018090318.db2.gz PBIFZTLJTZGJOB-BXUZGUMPSA-N -1 0 317.386 -0.665 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCc1cnccn1)C(=O)[O-] ZINC001602978091 1018090958 /nfs/dbraw/zinc/09/09/58/1018090958.db2.gz MNANHEOARLCZIX-LLVKDONJSA-N -1 0 308.338 -0.392 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@]2(O)C[C@H]2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001603003289 1018092593 /nfs/dbraw/zinc/09/25/93/1018092593.db2.gz IDJMICUUYWHJAL-YVZVNANGSA-N -1 0 304.314 -0.998 20 0 DBADRM C[C@H](C(=O)N1CCn2nccc21)n1cnc(-c2nnn[n-]2)n1 ZINC001603003575 1018092923 /nfs/dbraw/zinc/09/29/23/1018092923.db2.gz ULSJSPGNRRMFON-SSDOTTSWSA-N -1 0 300.286 -0.738 20 0 DBADRM CC(C)C1(O)CN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001602991757 1018093041 /nfs/dbraw/zinc/09/30/41/1018093041.db2.gz WWUPPHBVZOVQAY-QMMMGPOBSA-N -1 0 306.330 -0.752 20 0 DBADRM C[C@H](C(=O)N1CC(O)(C2CC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001602991750 1018093718 /nfs/dbraw/zinc/09/37/18/1018093718.db2.gz WQQFEGCASOEMJJ-SSDOTTSWSA-N -1 0 304.314 -0.998 20 0 DBADRM C[C@@H](C(=O)N1CC(n2ccnc2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001602990603 1018094183 /nfs/dbraw/zinc/09/41/83/1018094183.db2.gz KXRVRWCMJDNMGA-QMMMGPOBSA-N -1 0 314.313 -0.701 20 0 DBADRM C[C@H](C(=O)NC1(CCO)CCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603007438 1018094245 /nfs/dbraw/zinc/09/42/45/1018094245.db2.gz DSTNVDJAYRBECC-SECBINFHSA-N -1 0 320.357 -0.169 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCC[C@H]1CCO)n1cnc(-c2nnn[n-]2)n1 ZINC001603007362 1018094516 /nfs/dbraw/zinc/09/45/16/1018094516.db2.gz BOXSEYOXVYNHOL-UTLUCORTSA-N -1 0 320.357 -0.314 20 0 DBADRM CC(=O)N(C)CC(=O)NCCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001603005600 1018095188 /nfs/dbraw/zinc/09/51/88/1018095188.db2.gz SNLLKDKVLPVKKR-UHFFFAOYSA-N -1 0 323.353 -0.404 20 0 DBADRM C[C@H](C(=O)NCC[C@H]1CCCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603015239 1018096947 /nfs/dbraw/zinc/09/69/47/1018096947.db2.gz MTVDRENWCNVOCN-NXEZZACHSA-N -1 0 320.357 -0.048 20 0 DBADRM C[C@@H](C(=O)NCC[C@@H]1CCCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603015240 1018097412 /nfs/dbraw/zinc/09/74/12/1018097412.db2.gz MTVDRENWCNVOCN-UWVGGRQHSA-N -1 0 320.357 -0.048 20 0 DBADRM C[C@H](C(=O)NCCOC(=O)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603017699 1018097510 /nfs/dbraw/zinc/09/75/10/1018097510.db2.gz WHAGHNPFYZYELE-SSDOTTSWSA-N -1 0 320.313 -0.911 20 0 DBADRM CC(=O)N1CCC(CNC(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC001603015474 1018097602 /nfs/dbraw/zinc/09/76/02/1018097602.db2.gz CDMIPCIJGQXBAC-UHFFFAOYSA-N -1 0 308.338 -0.044 20 0 DBADRM C[C@@H](C(=O)NCc1cn(C)cn1)n1cnc(-c2nnn[n-]2)n1 ZINC001603019107 1018098405 /nfs/dbraw/zinc/09/84/05/1018098405.db2.gz AUDRLCFYFRGNLH-ZETCQYMHSA-N -1 0 302.302 -0.931 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCCC[C@H]1O)n1cnc(-c2nnn[n-]2)n1 ZINC001603017775 1018098767 /nfs/dbraw/zinc/09/87/67/1018098767.db2.gz ZGHCPNRPSLSXRM-LPEHRKFASA-N -1 0 320.357 -0.314 20 0 DBADRM C[C@H](C(=O)NCc1cn(C)cn1)n1cnc(-c2nnn[n-]2)n1 ZINC001603019106 1018100305 /nfs/dbraw/zinc/10/03/05/1018100305.db2.gz AUDRLCFYFRGNLH-SSDOTTSWSA-N -1 0 302.302 -0.931 20 0 DBADRM C[C@@H](C(=O)NCCC[C@H]1CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603014643 1018100932 /nfs/dbraw/zinc/10/09/32/1018100932.db2.gz CZZSXGYPEYOJAS-UWVGGRQHSA-N -1 0 320.357 -0.048 20 0 DBADRM CC(C)CN1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)[C@@H](C)C1=O ZINC001603029136 1018102089 /nfs/dbraw/zinc/10/20/89/1018102089.db2.gz JJBVSHFALRCELW-GXSJLCMTSA-N -1 0 311.338 -0.069 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)c1ccc(=O)[nH]c1 ZINC001499439510 1018105726 /nfs/dbraw/zinc/10/57/26/1018105726.db2.gz WITZZHSWANENDN-UHFFFAOYSA-N -1 0 304.310 -0.337 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[C@H](O)C(=O)[O-] ZINC001603031252 1018106648 /nfs/dbraw/zinc/10/66/48/1018106648.db2.gz FVQSNZDSGOYVRH-KBPBESRZSA-N -1 0 320.345 -0.088 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC001603042004 1018108022 /nfs/dbraw/zinc/10/80/22/1018108022.db2.gz CUZDACWEEJHQAC-ZDUSSCGKSA-N -1 0 308.290 -0.392 20 0 DBADRM C[C@H](C(=O)OCc1nccn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001603036064 1018108323 /nfs/dbraw/zinc/10/83/23/1018108323.db2.gz BWCWWIVUWHRSCS-SSDOTTSWSA-N -1 0 303.286 -0.504 20 0 DBADRM C[C@H](C(=O)OCCOCC1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603032420 1018108511 /nfs/dbraw/zinc/10/85/11/1018108511.db2.gz QHNNBLDLNOKZND-MRVPVSSYSA-N -1 0 307.314 -0.011 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)[C@@H]1C ZINC001603043018 1018110711 /nfs/dbraw/zinc/11/07/11/1018110711.db2.gz YAVKOEBCXXKSET-SCZZXKLOSA-N -1 0 321.337 -0.606 20 0 DBADRM C[C@H](C(=O)OCCCC(=O)N(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001603033353 1018111540 /nfs/dbraw/zinc/11/15/40/1018111540.db2.gz XIRNWUKBWBRTPO-MRVPVSSYSA-N -1 0 322.329 -0.569 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC001603057837 1018112540 /nfs/dbraw/zinc/11/25/40/1018112540.db2.gz DVYMNNVCFKXUMZ-PSASIEDQSA-N -1 0 302.327 -0.330 20 0 DBADRM CC(C)N(C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)[C@@H]1CCOC1 ZINC001603056129 1018114030 /nfs/dbraw/zinc/11/40/30/1018114030.db2.gz HPSKECLUCKEQCX-SNVBAGLBSA-N -1 0 324.337 -0.068 20 0 DBADRM CC(=O)N[C@@H](CSCCCN1C(=O)CNC1=O)C(=O)[O-] ZINC001603056328 1018114612 /nfs/dbraw/zinc/11/46/12/1018114612.db2.gz IIMPBPBSZOJGAV-QMMMGPOBSA-N -1 0 303.340 -0.749 20 0 DBADRM CC(=O)N[C@H](CC1CCC1)C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC001603058622 1018115038 /nfs/dbraw/zinc/11/50/38/1018115038.db2.gz TUDBQUHWILUAHW-LDYMZIIASA-N -1 0 314.338 -0.186 20 0 DBADRM CC(C)Oc1cncc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001603086552 1018117136 /nfs/dbraw/zinc/11/71/36/1018117136.db2.gz FMSAYESAEVWLPW-GFCCVEGCSA-N -1 0 318.351 -0.017 20 0 DBADRM CC(C)[C@@H](NC(=O)CCN1C(=O)CCNC1=S)C(=O)[O-] ZINC001603089031 1018118437 /nfs/dbraw/zinc/11/84/37/1018118437.db2.gz GMULMGGMCPTWAD-SNVBAGLBSA-N -1 0 301.368 -0.291 20 0 DBADRM CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001603110217 1018119212 /nfs/dbraw/zinc/11/92/12/1018119212.db2.gz XPSAGUJDUPMWPQ-ZDUSSCGKSA-N -1 0 312.326 -0.566 20 0 DBADRM CC(C)c1nnnn1CC(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001603115097 1018119324 /nfs/dbraw/zinc/11/93/24/1018119324.db2.gz POASSUAYQZPQRY-MRVPVSSYSA-N -1 0 311.298 -0.975 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)NCCS(=O)(=O)NC(C)(C)C ZINC001603125237 1018122200 /nfs/dbraw/zinc/12/22/00/1018122200.db2.gz FHRKKVPBROBNTB-MRVPVSSYSA-N -1 0 309.388 -0.133 20 0 DBADRM C[C@H](C(=O)N1CC(O)(C(=O)[O-])C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001603139476 1018122320 /nfs/dbraw/zinc/12/23/20/1018122320.db2.gz DJMVAUPYJKBDCT-OPRDCNLKSA-N -1 0 324.333 -0.792 20 0 DBADRM C[C@@H](C(=O)N1CC(O)(C(=O)[O-])C1)N1CSCCSC1 ZINC001603139769 1018123294 /nfs/dbraw/zinc/12/32/94/1018123294.db2.gz JBRHKEUUYBAKIV-QMMMGPOBSA-N -1 0 306.409 -0.270 20 0 DBADRM C[C@H](CC[S@](C)=O)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603142730 1018127058 /nfs/dbraw/zinc/12/70/58/1018127058.db2.gz IZWTXOUMAPHZKQ-ULQSSITMSA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@H](C(=O)N1CC(O)(C(=O)[O-])C1)n1nnc(-c2ccccc2)n1 ZINC001603140484 1018127336 /nfs/dbraw/zinc/12/73/36/1018127336.db2.gz QHEKNTIQHNVBFK-SECBINFHSA-N -1 0 317.305 -0.441 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-])c1cncnc1 ZINC001603145091 1018127451 /nfs/dbraw/zinc/12/74/51/1018127451.db2.gz BGRFXWUOYUHSKP-MWLCHTKSSA-N -1 0 306.322 -0.228 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1)C(=O)[O-] ZINC001603145382 1018127993 /nfs/dbraw/zinc/12/79/93/1018127993.db2.gz PNSQYRZQCNBWFQ-ZDCRXTMVSA-N -1 0 314.338 -0.914 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])c1cncnc1 ZINC001603145092 1018128202 /nfs/dbraw/zinc/12/82/02/1018128202.db2.gz BGRFXWUOYUHSKP-ONGXEEELSA-N -1 0 306.322 -0.228 20 0 DBADRM CC(C)(CNc1ccnc(-c2nnn[n-]2)n1)[C@@]1(O)CCOC1 ZINC001603151011 1018129387 /nfs/dbraw/zinc/12/93/87/1018129387.db2.gz CGBSFEILLYBMQR-CYBMUJFWSA-N -1 0 305.342 -0.332 20 0 DBADRM CC(C)(CNc1ccnc(-c2nnn[n-]2)n1)[C@]1(O)CCOC1 ZINC001603151012 1018130690 /nfs/dbraw/zinc/13/06/90/1018130690.db2.gz CGBSFEILLYBMQR-ZDUSSCGKSA-N -1 0 305.342 -0.332 20 0 DBADRM C[C@@H](C(=O)N[C@H](CF)C(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC001603154430 1018132010 /nfs/dbraw/zinc/13/20/10/1018132010.db2.gz DTOCQCWQHLMQEG-JGVFFNPUSA-N -1 0 315.301 -0.222 20 0 DBADRM C[C@H](CN(C)C(=O)CCN1C(=O)CCNC1=S)C(=O)[O-] ZINC001603150141 1018132162 /nfs/dbraw/zinc/13/21/62/1018132162.db2.gz WPRCULJESOZGBT-MRVPVSSYSA-N -1 0 301.368 -0.338 20 0 DBADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])C1CC1)n1cnc2c1ncnc2N ZINC001603149105 1018132436 /nfs/dbraw/zinc/13/24/36/1018132436.db2.gz NNEOULPVCDYMTI-HTRCEHHLSA-N -1 0 304.310 -0.051 20 0 DBADRM C[C@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])N1CCSCC1 ZINC001603154384 1018132469 /nfs/dbraw/zinc/13/24/69/1018132469.db2.gz COYVIYCIVPGJPS-ZJUUUORDSA-N -1 0 313.383 -0.715 20 0 DBADRM C[C@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])n1nnnc1C(C)(C)C ZINC001603148039 1018132912 /nfs/dbraw/zinc/13/29/12/1018132912.db2.gz KFJKORODSNUQCP-RKDXNWHRSA-N -1 0 311.342 -0.156 20 0 DBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1F)N1CCNCC1=O ZINC001603152416 1018133131 /nfs/dbraw/zinc/13/31/31/1018133131.db2.gz BQYALGBUYIXDME-RNCFNFMXSA-N -1 0 323.324 -0.112 20 0 DBADRM C[C@@H](C(=O)NCCCNc1ncc(C(=O)[O-])cn1)n1cncn1 ZINC001603164920 1018134754 /nfs/dbraw/zinc/13/47/54/1018134754.db2.gz XFUMRCCAXHDOLM-VIFPVBQESA-N -1 0 319.325 -0.054 20 0 DBADRM C[C@H](CN1CCCC1=O)n1nnnc1N1CC[C@H](C(=O)[O-])C1 ZINC001603158939 1018135282 /nfs/dbraw/zinc/13/52/82/1018135282.db2.gz LZQGQMDEMPLLIS-ZJUUUORDSA-N -1 0 308.342 -0.233 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603159292 1018135966 /nfs/dbraw/zinc/13/59/66/1018135966.db2.gz VYVIWHULZXUKPU-LLVKDONJSA-N -1 0 323.349 -0.617 20 0 DBADRM C[C@H](C(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1)C1CCC1 ZINC001603164329 1018135992 /nfs/dbraw/zinc/13/59/92/1018135992.db2.gz NCDJJROXVTXDBG-ONGXEEELSA-N -1 0 322.365 -0.078 20 0 DBADRM C[C@@H](CN1CCOCC1)N(C)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001603158803 1018136189 /nfs/dbraw/zinc/13/61/89/1018136189.db2.gz FQAPFXIREIZWTI-JTQLQIEISA-N -1 0 311.342 -0.845 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001603160087 1018136239 /nfs/dbraw/zinc/13/62/39/1018136239.db2.gz HNALRFPCNBSWHF-IINYFYTJSA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N1CCSCC1)C(=O)[O-] ZINC001603173377 1018139061 /nfs/dbraw/zinc/13/90/61/1018139061.db2.gz JJINOSACLVESQS-GUBZILKMSA-N -1 0 317.411 -0.482 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)S(N)(=O)=O ZINC001603168140 1018139347 /nfs/dbraw/zinc/13/93/47/1018139347.db2.gz MRFJBSMPWBDAKP-VGMNWLOBSA-N -1 0 308.356 -0.951 20 0 DBADRM C[C@@H](C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)[C@H]1CCCO1 ZINC001603167282 1018142168 /nfs/dbraw/zinc/14/21/68/1018142168.db2.gz RVQSDNSWUZSVDP-ORXSELOVSA-N -1 0 319.379 -0.194 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001603199530 1018143980 /nfs/dbraw/zinc/14/39/80/1018143980.db2.gz LSKSVQRLQSKMTQ-QDXVKYEASA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cnn(C)c1 ZINC001603210579 1018146587 /nfs/dbraw/zinc/14/65/87/1018146587.db2.gz JRUVAEFBCXVXSV-LKFCYVNXSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1nccc(N)n1 ZINC001603218826 1018146928 /nfs/dbraw/zinc/14/69/28/1018146928.db2.gz IYBVPBHQJOXMSM-DTWKUNHWSA-N -1 0 321.337 -0.441 20 0 DBADRM CC(F)(F)CN1CCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC001603207934 1018147130 /nfs/dbraw/zinc/14/71/30/1018147130.db2.gz IPYJGDXLTPCOMU-UHFFFAOYSA-N -1 0 317.296 -0.224 20 0 DBADRM C[C@H](Cc1cnn(C)c1)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001603207040 1018147338 /nfs/dbraw/zinc/14/73/38/1018147338.db2.gz HKASJELPXHHHRW-SNVBAGLBSA-N -1 0 308.338 -0.646 20 0 DBADRM C[C@@H](NC(=O)C(=O)NCCC(=O)[O-])C(=O)N1CCCC[C@H]1C ZINC001603210755 1018147688 /nfs/dbraw/zinc/14/76/88/1018147688.db2.gz NBLUUFLBHAQYSG-NXEZZACHSA-N -1 0 313.354 -0.517 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ncn(C)n1 ZINC001603211038 1018147937 /nfs/dbraw/zinc/14/79/37/1018147937.db2.gz SLRGOCKJTVUEFH-AMIZOPFISA-N -1 0 309.326 -0.685 20 0 DBADRM C[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])[C@H](C)N1CCOCC1 ZINC001603210994 1018148839 /nfs/dbraw/zinc/14/88/39/1018148839.db2.gz QWXCXVTWCPXWCQ-MNOVXSKESA-N -1 0 315.370 -0.807 20 0 DBADRM C[C@](NCC(=O)N1CCNC(=O)C1)(C(=O)[O-])c1ccccc1 ZINC001603246840 1018149690 /nfs/dbraw/zinc/14/96/90/1018149690.db2.gz DNZJNSFJJWVGQM-OAHLLOKOSA-N -1 0 305.334 -0.466 20 0 DBADRM CC(C)[C@H]1CN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001603245171 1018150510 /nfs/dbraw/zinc/15/05/10/1018150510.db2.gz FZKGJCOLURIALQ-NXEZZACHSA-N -1 0 320.357 -0.097 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001603230259 1018150800 /nfs/dbraw/zinc/15/08/00/1018150800.db2.gz QOEPXJRPKXTDDQ-KYXWUPHJSA-N -1 0 307.368 -0.101 20 0 DBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001603230261 1018150895 /nfs/dbraw/zinc/15/08/95/1018150895.db2.gz QOEPXJRPKXTDDQ-QEYWKRMJSA-N -1 0 307.368 -0.101 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)c1nnnn1C1CC1 ZINC001603227484 1018151558 /nfs/dbraw/zinc/15/15/58/1018151558.db2.gz POOXIVIQHGWOSL-IONNQARKSA-N -1 0 310.314 -0.436 20 0 DBADRM CC(C)(C)n1cc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])cn1 ZINC001603256534 1018152215 /nfs/dbraw/zinc/15/22/15/1018152215.db2.gz RGDZVUPIESPAFF-CYBMUJFWSA-N -1 0 312.326 -0.472 20 0 DBADRM CC(C)[C@@H]1CN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001603245174 1018153387 /nfs/dbraw/zinc/15/33/87/1018153387.db2.gz FZKGJCOLURIALQ-ZJUUUORDSA-N -1 0 320.357 -0.097 20 0 DBADRM C[C@@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)c1nnnn1C1CC1 ZINC001603227482 1018153440 /nfs/dbraw/zinc/15/34/40/1018153440.db2.gz POOXIVIQHGWOSL-APPZFPTMSA-N -1 0 310.314 -0.436 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)C1CC1 ZINC001603266211 1018155697 /nfs/dbraw/zinc/15/56/97/1018155697.db2.gz RCCUEMFSORQMLS-JBLDHEPKSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)C1CC1 ZINC001603266214 1018156422 /nfs/dbraw/zinc/15/64/22/1018156422.db2.gz RCCUEMFSORQMLS-NHCYSSNCSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1c[nH]nc1C(F)(F)F)C(=O)[O-] ZINC001603263772 1018157145 /nfs/dbraw/zinc/15/71/45/1018157145.db2.gz QKYGLVCMXPGKPI-SSDOTTSWSA-N -1 0 317.245 -0.458 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(Cl)cn1)C(=O)[O-] ZINC001603256912 1018157260 /nfs/dbraw/zinc/15/72/60/1018157260.db2.gz WMLYSUCVCDPHLX-LLVKDONJSA-N -1 0 301.686 -0.375 20 0 DBADRM C[C@H](O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001603265496 1018157290 /nfs/dbraw/zinc/15/72/90/1018157290.db2.gz LEVBKPWETREKJH-UWVGGRQHSA-N -1 0 324.337 -0.474 20 0 DBADRM C[C@H](OC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC001603271936 1018158038 /nfs/dbraw/zinc/15/80/38/1018158038.db2.gz JVSJYTOJZAGSDR-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@H](c1ccccc1)[C@@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(N)=O ZINC001603286984 1018158338 /nfs/dbraw/zinc/15/83/38/1018158338.db2.gz OEHJEDIKOVKIPY-GGZOMVNGSA-N -1 0 319.317 -0.010 20 0 DBADRM CC(C)CC[C@@H](O)Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC001603278295 1018158387 /nfs/dbraw/zinc/15/83/87/1018158387.db2.gz LZKMLWQPFOGALS-SECBINFHSA-N -1 0 308.342 -0.476 20 0 DBADRM C[C@@H](CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C[C@H](C)O ZINC001603266388 1018159712 /nfs/dbraw/zinc/15/97/12/1018159712.db2.gz UDPSIHGIIRZNFB-ZJUUUORDSA-N -1 0 321.395 -0.211 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)N[C@H]2C[C@@H](O)C2)cn1 ZINC001603282306 1018159839 /nfs/dbraw/zinc/15/98/39/1018159839.db2.gz PBMLSZMEODJSMR-OTSSQURYSA-N -1 0 310.310 -0.719 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)C1 ZINC001603297323 1018162789 /nfs/dbraw/zinc/16/27/89/1018162789.db2.gz OKCUDSPJCKMMDS-OAHLLOKOSA-N -1 0 323.349 -0.857 20 0 DBADRM CC(C)Cc1noc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)n1 ZINC001603311758 1018162915 /nfs/dbraw/zinc/16/29/15/1018162915.db2.gz VQTURTGDUXQDJA-UHFFFAOYSA-N -1 0 318.297 -0.241 20 0 DBADRM CC1(C)C(=O)NCCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603311096 1018163130 /nfs/dbraw/zinc/16/31/30/1018163130.db2.gz UKFWAXDFBVMZBN-SECBINFHSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C2(CS(C)(=O)=O)COC2)C1 ZINC001603297017 1018163518 /nfs/dbraw/zinc/16/35/18/1018163518.db2.gz GGLNJPWZKWOJGB-LLVKDONJSA-N -1 0 305.352 -0.629 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001603321757 1018165774 /nfs/dbraw/zinc/16/57/74/1018165774.db2.gz XHGAWUYZJCHJLJ-CQSZACIVSA-N -1 0 309.322 -0.044 20 0 DBADRM CC(C)(C)[C@H]1NC(=O)N(CCc2cn(CC(=O)[O-])nn2)C1=O ZINC001603317513 1018166484 /nfs/dbraw/zinc/16/64/84/1018166484.db2.gz OSSJLJGSVGZPBS-JTQLQIEISA-N -1 0 309.326 -0.128 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC(C(=O)NCCO)CC1 ZINC001603321205 1018166921 /nfs/dbraw/zinc/16/69/21/1018166921.db2.gz BBAHCQBWIRCNAR-HNNXBMFYSA-N -1 0 312.366 -0.166 20 0 DBADRM CC(C)NC(=O)CCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001603335186 1018167273 /nfs/dbraw/zinc/16/72/73/1018167273.db2.gz JOCPBTFEEVVPQM-QMMMGPOBSA-N -1 0 321.345 -0.950 20 0 DBADRM CC1(C)CN(CCS(=O)(=O)CC(=O)[O-])C[C@@]2(CCOC2)O1 ZINC001603334285 1018167542 /nfs/dbraw/zinc/16/75/42/1018167542.db2.gz VWAKRAMIOPOZFE-CYBMUJFWSA-N -1 0 321.395 -0.244 20 0 DBADRM CC1(OCC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CCC1 ZINC001603347732 1018169669 /nfs/dbraw/zinc/16/96/69/1018169669.db2.gz MUXFANBXCRIXSP-SECBINFHSA-N -1 0 305.352 -0.344 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001603352176 1018169848 /nfs/dbraw/zinc/16/98/48/1018169848.db2.gz JLWMWCUKCYYFTD-GMTAPVOTSA-N -1 0 311.338 -0.116 20 0 DBADRM CC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001603345133 1018169894 /nfs/dbraw/zinc/16/98/94/1018169894.db2.gz CKIDNZPQHYXSSG-LLVKDONJSA-N -1 0 311.382 -0.138 20 0 DBADRM CC(C)(C)OC(=O)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001603351572 1018171051 /nfs/dbraw/zinc/17/10/51/1018171051.db2.gz XHGDSWBFBILLFP-MRVPVSSYSA-N -1 0 300.311 -0.480 20 0 DBADRM CC1(C)OCC(CO)(NC(=O)c2cnc(C(=O)[O-])cn2)CO1 ZINC001603336931 1018171115 /nfs/dbraw/zinc/17/11/15/1018171115.db2.gz ZAPHNMOYFMIKGV-UHFFFAOYSA-N -1 0 311.294 -0.581 20 0 DBADRM CC(C)(C)N1C[C@H](C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1=O ZINC001603344317 1018171373 /nfs/dbraw/zinc/17/13/73/1018171373.db2.gz VYWGDSWZWAUUGX-VWYCJHECSA-N -1 0 312.366 -0.073 20 0 DBADRM CC1=C(C(=O)N([C@H](C)C(=O)[O-])C2CC2)Cn2nnnc2N1C ZINC001603348417 1018171596 /nfs/dbraw/zinc/17/15/96/1018171596.db2.gz WYGRHCIZAZKZFF-MRVPVSSYSA-N -1 0 306.326 -0.139 20 0 DBADRM CC1(C)OCC(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CO1 ZINC001603336813 1018172339 /nfs/dbraw/zinc/17/23/39/1018172339.db2.gz SCVDEUYGVAKFIX-MRVPVSSYSA-N -1 0 300.311 -0.813 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nccn2C)C1 ZINC001603355402 1018173471 /nfs/dbraw/zinc/17/34/71/1018173471.db2.gz QYPZUOWXFUUBOJ-VHSXEESVSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001603359985 1018173617 /nfs/dbraw/zinc/17/36/17/1018173617.db2.gz HPEPHSYHLRHADI-ZJUUUORDSA-N -1 0 319.321 -0.540 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC3(COC3)C2)C1 ZINC001603354861 1018174665 /nfs/dbraw/zinc/17/46/65/1018174665.db2.gz MHMVFQMJPGDMIC-QWRGUYRKSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@H]1C[C@H](CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC001603375618 1018177555 /nfs/dbraw/zinc/17/75/55/1018177555.db2.gz CTVLYQDDXTVZSF-GMTAPVOTSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(c2nnc(CS(C)(=O)=O)n2C)C1 ZINC001603372193 1018178258 /nfs/dbraw/zinc/17/82/58/1018178258.db2.gz LTXXZTJGELYIHC-IUCAKERBSA-N -1 0 316.383 -0.093 20 0 DBADRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)[C@H]1C[C@H]1C(N)=O ZINC001603372968 1018178463 /nfs/dbraw/zinc/17/84/63/1018178463.db2.gz JAHINOTVITYXLG-BDAKNGLRSA-N -1 0 314.338 -0.247 20 0 DBADRM C[C@@H]1C[C@H](CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC001603375619 1018178628 /nfs/dbraw/zinc/17/86/28/1018178628.db2.gz CTVLYQDDXTVZSF-MXWKQRLJSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2nnc(CS(C)(=O)=O)n2C)C1 ZINC001603372192 1018179016 /nfs/dbraw/zinc/17/90/16/1018179016.db2.gz LTXXZTJGELYIHC-DTWKUNHWSA-N -1 0 316.383 -0.093 20 0 DBADRM C[C@@H]1C[C@H](n2nnnc2N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@@H](C)O1 ZINC001603381268 1018179152 /nfs/dbraw/zinc/17/91/52/1018179152.db2.gz WDQICQWIKVSYAX-XXUISHGZSA-N -1 0 323.353 -0.051 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001603373607 1018179268 /nfs/dbraw/zinc/17/92/68/1018179268.db2.gz DUFYKPHQCGITLR-ZDUSSCGKSA-N -1 0 303.311 -0.295 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001603373721 1018179313 /nfs/dbraw/zinc/17/93/13/1018179313.db2.gz JRWANQPKFOKLMH-JOYOIKCWSA-N -1 0 316.354 -0.646 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)N1CCN(C)CC1 ZINC001603390968 1018181644 /nfs/dbraw/zinc/18/16/44/1018181644.db2.gz DWMFBHKNRPOGGI-WDEREUQCSA-N -1 0 305.400 -0.336 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@H](O)CC(=O)[O-] ZINC001603422981 1018181722 /nfs/dbraw/zinc/18/17/22/1018181722.db2.gz HECYJBHIHXNLRO-RKDXNWHRSA-N -1 0 302.327 -0.052 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C[C@@H]1F ZINC001603416403 1018182463 /nfs/dbraw/zinc/18/24/63/1018182463.db2.gz OMNSHFQSKYHULP-KXUCPTDWSA-N -1 0 302.302 -0.495 20 0 DBADRM C[C@H]1CCCN(S(=O)(=O)CCN2CCOC2=O)[C@H]1C(=O)[O-] ZINC001603414823 1018182495 /nfs/dbraw/zinc/18/24/95/1018182495.db2.gz KCQVZPJHTLQULL-VHSXEESVSA-N -1 0 320.367 -0.047 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001603404689 1018182525 /nfs/dbraw/zinc/18/25/25/1018182525.db2.gz DXGOCFPNAFICKX-LLVKDONJSA-N -1 0 316.354 -0.521 20 0 DBADRM CC(C)(C)OC(=O)NC1(CC(=O)NC[C@H](O)C(=O)[O-])COC1 ZINC001603444792 1018185174 /nfs/dbraw/zinc/18/51/74/1018185174.db2.gz WYUIOMPRRUTKNP-QMMMGPOBSA-N -1 0 318.326 -0.768 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)C[C@H]1C(=O)[O-] ZINC001603426165 1018185344 /nfs/dbraw/zinc/18/53/44/1018185344.db2.gz BAQQOQQLSSYCTM-YUSALJHKSA-N -1 0 311.338 -0.581 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001603449136 1018187690 /nfs/dbraw/zinc/18/76/90/1018187690.db2.gz LDYHCOJANYUEMH-MRVPVSSYSA-N -1 0 318.326 -0.157 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCN(C)CC2)CC[C@@H]1C(=O)[O-] ZINC001603463417 1018188913 /nfs/dbraw/zinc/18/89/13/1018188913.db2.gz BMEMZOSVSHSFNR-QWRGUYRKSA-N -1 0 305.400 -0.479 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603473231 1018191730 /nfs/dbraw/zinc/19/17/30/1018191730.db2.gz KSLLKOVCAVMVFL-NSHDSACASA-N -1 0 323.349 -0.617 20 0 DBADRM C[C@H]1SCC[C@@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603480158 1018191821 /nfs/dbraw/zinc/19/18/21/1018191821.db2.gz QRWHGOOCIOBHTM-SFYZADRCSA-N -1 0 312.351 -0.084 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001603480405 1018192375 /nfs/dbraw/zinc/19/23/75/1018192375.db2.gz UMCVFHSAOQBBAF-GUDRVLHUSA-N -1 0 305.352 -0.473 20 0 DBADRM C[C@H]1NC(=O)N(CCOC(=O)c2ccc(C(=O)[O-])cn2)C1=O ZINC001603480646 1018193232 /nfs/dbraw/zinc/19/32/32/1018193232.db2.gz ZBKWTZCIKNUHJR-SSDOTTSWSA-N -1 0 307.262 -0.123 20 0 DBADRM CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001603485088 1018194025 /nfs/dbraw/zinc/19/40/25/1018194025.db2.gz WSSRVAMQTNJRLG-XHNCKOQMSA-N -1 0 318.326 -0.770 20 0 DBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)NC[C@H](O)C(=O)[O-] ZINC001603509074 1018196490 /nfs/dbraw/zinc/19/64/90/1018196490.db2.gz JOIKDBRPYKZOEV-QMMMGPOBSA-N -1 0 304.343 -0.742 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CC[C@H](C(C)(C)O)C1)C(=O)[O-] ZINC001603550184 1018201070 /nfs/dbraw/zinc/20/10/70/1018201070.db2.gz ZZMJWRIBGYGVHE-ZJUUUORDSA-N -1 0 300.355 -0.167 20 0 DBADRM CC[C@@H](CNC(=O)C1=CN(C)S(=O)(=O)N=C1C)C(=O)[O-] ZINC001603550418 1018201171 /nfs/dbraw/zinc/20/11/71/1018201171.db2.gz KHLUPWIMRVGGEZ-QMMMGPOBSA-N -1 0 303.340 -0.252 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](C)O)C1)C(=O)[O-] ZINC001603549265 1018201594 /nfs/dbraw/zinc/20/15/94/1018201594.db2.gz ONADFGWWYHISFO-AXFHLTTASA-N -1 0 300.355 -0.167 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCC(O)(C(F)F)CC1)C(=O)[O-] ZINC001603548402 1018202893 /nfs/dbraw/zinc/20/28/93/1018202893.db2.gz DFIPERVQWQOMBA-MRVPVSSYSA-N -1 0 322.308 -0.168 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)O)C1)C(=O)[O-] ZINC001603549269 1018203582 /nfs/dbraw/zinc/20/35/82/1018203582.db2.gz ONADFGWWYHISFO-HBNTYKKESA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)(C)n1nnc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])n1 ZINC001603574272 1018205205 /nfs/dbraw/zinc/20/52/05/1018205205.db2.gz OIRXANOKMHUPJR-QMMMGPOBSA-N -1 0 307.314 -0.492 20 0 DBADRM CC(C)(C)n1cc(C(=O)C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cn1 ZINC001603564438 1018205284 /nfs/dbraw/zinc/20/52/84/1018205284.db2.gz FRRRUXQVODLPIH-ZJUUUORDSA-N -1 0 309.322 -0.133 20 0 DBADRM CC[C@H](CNC(=O)N1CCCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001603556117 1018205590 /nfs/dbraw/zinc/20/55/90/1018205590.db2.gz HTBPOUMAZQPYMV-SNVBAGLBSA-N -1 0 321.399 -0.226 20 0 DBADRM CC[C@H](CNC(=O)c1cc(S(N)(=O)=O)cnc1C)C(=O)[O-] ZINC001603567133 1018206091 /nfs/dbraw/zinc/20/60/91/1018206091.db2.gz SBVUSOPDISTJFT-MRVPVSSYSA-N -1 0 315.351 -0.122 20 0 DBADRM CC(C)(C)n1cc(C(=O)C(=O)N2CC[C@@](O)(C(=O)[O-])C2)cn1 ZINC001603564614 1018206243 /nfs/dbraw/zinc/20/62/43/1018206243.db2.gz JPNUYHRYVXBINF-AWEZNQCLSA-N -1 0 309.322 -0.131 20 0 DBADRM CC[C@H](CNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)C(=O)[O-] ZINC001603558820 1018206619 /nfs/dbraw/zinc/20/66/19/1018206619.db2.gz CWUDPPYDPVGFSY-BBBLOLIVSA-N -1 0 304.368 -0.217 20 0 DBADRM CC[C@H](CNC(=O)NC[C@@]1(OCCO)CCOC1)C(=O)[O-] ZINC001603562252 1018207113 /nfs/dbraw/zinc/20/71/13/1018207113.db2.gz UMKCETWMWAKRPI-MFKMUULPSA-N -1 0 304.343 -0.436 20 0 DBADRM CC[C@@H](CO)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001603574508 1018207379 /nfs/dbraw/zinc/20/73/79/1018207379.db2.gz DHMQGLXWTSEQKT-WDEREUQCSA-N -1 0 312.366 -0.071 20 0 DBADRM CC[C@@H](CNC(=O)N1CCO[C@H](CNC(C)=O)C1)C(=O)[O-] ZINC001603556704 1018208165 /nfs/dbraw/zinc/20/81/65/1018208165.db2.gz LAMXXFVIJQUKLR-WDEREUQCSA-N -1 0 301.343 -0.356 20 0 DBADRM CC[C@H](CNC(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC001603561226 1018208384 /nfs/dbraw/zinc/20/83/84/1018208384.db2.gz KJSALLDTHBXYIY-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)(C)n1cc(C(=O)C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cn1 ZINC001603564437 1018208435 /nfs/dbraw/zinc/20/84/35/1018208435.db2.gz FRRRUXQVODLPIH-NXEZZACHSA-N -1 0 309.322 -0.133 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(C)[C@@H](C)CO)C1 ZINC001603593439 1018209025 /nfs/dbraw/zinc/20/90/25/1018209025.db2.gz FPRCIOJYANQKJT-HZMBPMFUSA-N -1 0 300.355 -0.071 20 0 DBADRM CC[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)[C@H](O)C(F)(F)F ZINC001603582155 1018210752 /nfs/dbraw/zinc/21/07/52/1018210752.db2.gz FZEWPTFRGWQEOM-XNCJUZBTSA-N -1 0 310.232 -0.206 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@H](CS(N)(=O)=O)C1)CC(=O)[O-] ZINC001603627060 1018213362 /nfs/dbraw/zinc/21/33/62/1018213362.db2.gz ATAZVFGBQPMLEJ-VIFPVBQESA-N -1 0 321.399 -0.193 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001603628202 1018213709 /nfs/dbraw/zinc/21/37/09/1018213709.db2.gz XLKAMKKPUNWTRZ-JOYOIKCWSA-N -1 0 323.367 -0.119 20 0 DBADRM CC/C=C/Cn1nnnc1N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001603628406 1018214255 /nfs/dbraw/zinc/21/42/55/1018214255.db2.gz LCYNNXRRUMNZOZ-IHVVCDCBSA-N -1 0 311.342 -0.054 20 0 DBADRM CC(C)(CCS(=O)(=O)NC[C@H](F)C(=O)[O-])S(C)(=O)=O ZINC001603612533 1018214355 /nfs/dbraw/zinc/21/43/55/1018214355.db2.gz CDQRHDBXNNLHEX-ZETCQYMHSA-N -1 0 319.376 -0.458 20 0 DBADRM CC(C)(CNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)CC(=O)[O-] ZINC001603630755 1018214657 /nfs/dbraw/zinc/21/46/57/1018214657.db2.gz RCQOXMULIMYXGA-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCSC[C@H]1C(N)=O)C(=O)[O-] ZINC001603653875 1018215982 /nfs/dbraw/zinc/21/59/82/1018215982.db2.gz KCGQGDOLJVLLHG-ZETCQYMHSA-N -1 0 310.397 -0.670 20 0 DBADRM CC(C)(CS(=O)(=O)N[C@H](C(N)=O)c1ccccn1)C(=O)[O-] ZINC001603659781 1018216581 /nfs/dbraw/zinc/21/65/81/1018216581.db2.gz FWZKKEZZSJEBES-VIFPVBQESA-N -1 0 315.351 -0.362 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCSC[C@@H]1C(N)=O)C(=O)[O-] ZINC001603653874 1018216946 /nfs/dbraw/zinc/21/69/46/1018216946.db2.gz KCGQGDOLJVLLHG-SSDOTTSWSA-N -1 0 310.397 -0.670 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCO[C@@H]2COCC[C@@H]21)C(=O)[O-] ZINC001603653406 1018217885 /nfs/dbraw/zinc/21/78/85/1018217885.db2.gz DHLXVYCREVEDQL-VHSXEESVSA-N -1 0 307.368 -0.083 20 0 DBADRM CCCN(C)C(=O)[C@H]1CSCN1C(=O)COCC(=O)[O-] ZINC001603655260 1018218079 /nfs/dbraw/zinc/21/80/79/1018218079.db2.gz ZCSXDCYPLNWDGQ-SECBINFHSA-N -1 0 304.368 -0.143 20 0 DBADRM CC(C)(NC(=O)Cn1cccnc1=O)c1nocc1C(=O)[O-] ZINC001603673016 1018218742 /nfs/dbraw/zinc/21/87/42/1018218742.db2.gz ASMQNPPPMDXMGO-UHFFFAOYSA-N -1 0 306.278 -0.019 20 0 DBADRM CC(C)(CS(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)C(=O)[O-] ZINC001603660540 1018220223 /nfs/dbraw/zinc/22/02/23/1018220223.db2.gz VOTPJCFKQPTIDN-JGVFFNPUSA-N -1 0 308.356 -0.951 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)OCc1cc(C(=O)[O-])no1 ZINC001603685303 1018220492 /nfs/dbraw/zinc/22/04/92/1018220492.db2.gz AUEYRZJBCWNPES-UHFFFAOYSA-N -1 0 306.296 -0.256 20 0 DBADRM CCCN(CC(=O)[O-])[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001603666817 1018220649 /nfs/dbraw/zinc/22/06/49/1018220649.db2.gz QZHDSYXKWBTLRN-ZJUUUORDSA-N -1 0 306.384 -0.525 20 0 DBADRM C[C@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC001603676919 1018220817 /nfs/dbraw/zinc/22/08/17/1018220817.db2.gz NLXMYKCYPHBCRB-DTWKUNHWSA-N -1 0 324.366 -0.035 20 0 DBADRM CCCc1cc(=O)n2[nH]c(NC(=O)[C@@H](OC)C(=O)[O-])nc2n1 ZINC001603691703 1018223457 /nfs/dbraw/zinc/22/34/57/1018223457.db2.gz BFCJEKUKCAXUNH-MRVPVSSYSA-N -1 0 309.282 -0.592 20 0 DBADRM CC(C)=C(F)C(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001603696616 1018224671 /nfs/dbraw/zinc/22/46/71/1018224671.db2.gz BHWNKVGSHKSKDH-VHSXEESVSA-N -1 0 316.329 -0.092 20 0 DBADRM CCN(C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)[C@@H]1CCOC1 ZINC001603705565 1018229316 /nfs/dbraw/zinc/22/93/16/1018229316.db2.gz IRJVBOLFCHKYPS-SECBINFHSA-N -1 0 310.310 -0.456 20 0 DBADRM CCN(C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)[O-] ZINC001603713952 1018230039 /nfs/dbraw/zinc/23/00/39/1018230039.db2.gz PFPOPDTUTSGXEB-VHSXEESVSA-N -1 0 306.384 -0.573 20 0 DBADRM CCCn1nnnc1N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001603701635 1018230533 /nfs/dbraw/zinc/23/05/33/1018230533.db2.gz OXAUEFDURRZTOB-SNVBAGLBSA-N -1 0 322.369 -0.015 20 0 DBADRM CCN(CCC(=O)OC)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001603736688 1018232757 /nfs/dbraw/zinc/23/27/57/1018232757.db2.gz MBFDQUSGNBROJO-UHFFFAOYSA-N -1 0 322.383 -0.087 20 0 DBADRM CC(C)[C@H](NC(=O)CNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC001603732133 1018233744 /nfs/dbraw/zinc/23/37/44/1018233744.db2.gz RTXZAIJVBWNVTM-NSHDSACASA-N -1 0 315.351 -0.415 20 0 DBADRM CC1(C)[C@H](O)C[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603755826 1018234675 /nfs/dbraw/zinc/23/46/75/1018234675.db2.gz BXYKEJJTVRGFHD-JGVFFNPUSA-N -1 0 313.339 -0.103 20 0 DBADRM CC(C)C1(S(=O)(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])CC1 ZINC001603751038 1018235354 /nfs/dbraw/zinc/23/53/54/1018235354.db2.gz WUJIDOVYSUDIMB-VIFPVBQESA-N -1 0 304.368 -0.268 20 0 DBADRM CCN1CC[C@@H]1CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603760473 1018235585 /nfs/dbraw/zinc/23/55/85/1018235585.db2.gz URJYBIPWAKZALA-SNVBAGLBSA-N -1 0 318.395 -0.524 20 0 DBADRM CC(C)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001603752316 1018236276 /nfs/dbraw/zinc/23/62/76/1018236276.db2.gz AEFNPAVUJMRPLD-WOPDTQHZSA-N -1 0 312.366 -0.215 20 0 DBADRM CCN(Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)[C@H](C)C(=O)[O-] ZINC001603749345 1018236952 /nfs/dbraw/zinc/23/69/52/1018236952.db2.gz HBLWEYQYZQIWSZ-SSDOTTSWSA-N -1 0 309.326 -0.745 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)NCC2(C(=O)[O-])CCC2)CC1=O ZINC001603757375 1018237013 /nfs/dbraw/zinc/23/70/13/1018237013.db2.gz YEJXVNPLRDJZFM-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCN(C)[C@H](CO)C1)C(=O)[O-] ZINC001603775007 1018237999 /nfs/dbraw/zinc/23/79/99/1018237999.db2.gz COQXRMCBGUGSRF-NWDGAFQWSA-N -1 0 301.387 -0.790 20 0 DBADRM CC(C)C[C@H](CO)N(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001603775909 1018238405 /nfs/dbraw/zinc/23/84/05/1018238405.db2.gz KSYFHARXVMLPEC-MNOVXSKESA-N -1 0 316.354 -0.836 20 0 DBADRM CCNC(=O)CCCC(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001603767576 1018238418 /nfs/dbraw/zinc/23/84/18/1018238418.db2.gz BSCCSQQFFNZXCG-CQSZACIVSA-N -1 0 316.354 -0.379 20 0 DBADRM CC(C)C[C@@H](CO)N(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001603775911 1018239348 /nfs/dbraw/zinc/23/93/48/1018239348.db2.gz KSYFHARXVMLPEC-WDEREUQCSA-N -1 0 316.354 -0.836 20 0 DBADRM CCOC(=O)[C@H](CO)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001603780916 1018239392 /nfs/dbraw/zinc/23/93/92/1018239392.db2.gz VBXYGCKQTOMXMM-NSHDSACASA-N -1 0 311.290 -0.196 20 0 DBADRM CCOC(=O)[C@H](CO)NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001603780991 1018239732 /nfs/dbraw/zinc/23/97/32/1018239732.db2.gz VSFPFOCDLMKDKJ-AEJSXWLSSA-N -1 0 303.311 -0.704 20 0 DBADRM CCOC(=O)[C@@H](F)C1CN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001603779581 1018239999 /nfs/dbraw/zinc/23/99/99/1018239999.db2.gz FKHNQOOQQWPAMJ-JTQLQIEISA-N -1 0 314.273 -0.664 20 0 DBADRM CCOC(=O)C[C@@H](CO)NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001603793080 1018240821 /nfs/dbraw/zinc/24/08/21/1018240821.db2.gz AWBQGUUVUGTBHI-JTQLQIEISA-N -1 0 317.338 -0.312 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)c2cnc(C(=O)[O-])cn2)CCO1 ZINC001603792142 1018240935 /nfs/dbraw/zinc/24/09/35/1018240935.db2.gz IPOLYVLJUVZQJX-JTQLQIEISA-N -1 0 309.278 -0.421 20 0 DBADRM CC1(C)OC[C@@H](CCn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)O1 ZINC001603792803 1018241263 /nfs/dbraw/zinc/24/12/63/1018241263.db2.gz KCIWNXVZPGJCLE-SSDOTTSWSA-N -1 0 308.298 -0.329 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001603792437 1018241521 /nfs/dbraw/zinc/24/15/21/1018241521.db2.gz ULKUMFMXFSYUEK-KXUCPTDWSA-N -1 0 300.311 -0.177 20 0 DBADRM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NC[C@H](C)C(=O)[O-])C1 ZINC001603800500 1018241968 /nfs/dbraw/zinc/24/19/68/1018241968.db2.gz DAMRUMGWVNIOCN-IVZWLZJFSA-N -1 0 317.342 -0.545 20 0 DBADRM CC(C)CCC(=O)NCC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001603787777 1018242546 /nfs/dbraw/zinc/24/25/46/1018242546.db2.gz SKQPIPONKATMJY-QWRGUYRKSA-N -1 0 300.355 -0.167 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)[C@](C)(OC)C(=O)[O-])CC12COC2 ZINC001603792050 1018242597 /nfs/dbraw/zinc/24/25/97/1018242597.db2.gz GSKKNJAEVKPHHD-RNCFNFMXSA-N -1 0 315.322 -0.486 20 0 DBADRM CCOC(=O)CN1CCCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001603797101 1018243525 /nfs/dbraw/zinc/24/35/25/1018243525.db2.gz XUURBIIBVBGHIA-UHFFFAOYSA-N -1 0 324.337 -0.181 20 0 DBADRM CC(C)CN1CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)CC1=O ZINC001603816393 1018247289 /nfs/dbraw/zinc/24/72/89/1018247289.db2.gz NZFLLJNFWNVJNS-GFCCVEGCSA-N -1 0 311.382 -0.138 20 0 DBADRM C[C@H]1C(=O)N(C)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603830664 1018249357 /nfs/dbraw/zinc/24/93/57/1018249357.db2.gz LTGJENAZFCSNLJ-LURJTMIESA-N -1 0 312.311 -0.732 20 0 DBADRM C[C@H]1[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)CCN1C(=O)C1CC1 ZINC001603836160 1018250864 /nfs/dbraw/zinc/25/08/64/1018250864.db2.gz IDDMPHLPSALTKF-WPRPVWTQSA-N -1 0 314.353 -0.110 20 0 DBADRM C[C@@H]1[C@H](CO)CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001603835792 1018251018 /nfs/dbraw/zinc/25/10/18/1018251018.db2.gz OYCGUHRAGMLASK-BDAKNGLRSA-N -1 0 306.330 -0.922 20 0 DBADRM C[C@@H]1C[C@H](C)CN(C(=O)Cn2cnc(-c3nnn[n-]3)cc2=O)C1 ZINC001603846378 1018253533 /nfs/dbraw/zinc/25/35/33/1018253533.db2.gz JLNXVEPTKAICPQ-AOOOYVTPSA-N -1 0 317.353 -0.072 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001603850098 1018253969 /nfs/dbraw/zinc/25/39/69/1018253969.db2.gz OHQSXWHSUFTNHA-GHMZBOCLSA-N -1 0 323.305 -0.362 20 0 DBADRM CCOCCNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603841398 1018253992 /nfs/dbraw/zinc/25/39/92/1018253992.db2.gz KQAUQAMLKUQFQL-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM CCOCCO[C@H]1CCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001603841606 1018254192 /nfs/dbraw/zinc/25/41/92/1018254192.db2.gz BTYOENYHTSJTDP-NSHDSACASA-N -1 0 309.384 -0.387 20 0 DBADRM CCOCCO[C@@H](C)C(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001603841267 1018254924 /nfs/dbraw/zinc/25/49/24/1018254924.db2.gz FKLVCBYTHGCFPR-SMDDNHRTSA-N -1 0 319.354 -0.243 20 0 DBADRM C[C@@H]1C[C@H](CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001603845399 1018254956 /nfs/dbraw/zinc/25/49/56/1018254956.db2.gz CVOLXBGBQBEMFP-NXEZZACHSA-N -1 0 320.357 -0.220 20 0 DBADRM CCON(C)C(=O)CNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001603842434 1018255308 /nfs/dbraw/zinc/25/53/08/1018255308.db2.gz AGDUCPAGYYTKQI-VHSXEESVSA-N -1 0 302.327 -0.218 20 0 DBADRM CCOCCO[C@@H](C)C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001603841264 1018255585 /nfs/dbraw/zinc/25/55/85/1018255585.db2.gz FKLVCBYTHGCFPR-FZMZJTMJSA-N -1 0 319.354 -0.243 20 0 DBADRM CC(C)N1C[C@H](NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1=O ZINC001603886675 1018256357 /nfs/dbraw/zinc/25/63/57/1018256357.db2.gz DSZUFGIQBMVAKH-BBBLOLIVSA-N -1 0 304.368 -0.222 20 0 DBADRM CC(C)N(C[C@@H](O)CO)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001603875322 1018256590 /nfs/dbraw/zinc/25/65/90/1018256590.db2.gz DHHLOPBCDJPQBG-GFCCVEGCSA-N -1 0 324.333 -0.087 20 0 DBADRM CC(C)N(CCCNC(=O)C(N)=O)c1ncc(C(=O)[O-])cn1 ZINC001603880744 1018256849 /nfs/dbraw/zinc/25/68/49/1018256849.db2.gz ZWMSRRSWUCJCGF-UHFFFAOYSA-N -1 0 309.326 -0.619 20 0 DBADRM CC(C)N1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])nn2)C1 ZINC001603886491 1018257464 /nfs/dbraw/zinc/25/74/64/1018257464.db2.gz ABNFUWCKHPNCNB-NWDGAFQWSA-N -1 0 307.354 -0.120 20 0 DBADRM C[C@H]1CC[C@H]1NC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001603881982 1018257868 /nfs/dbraw/zinc/25/78/68/1018257868.db2.gz QDKGOELAROQSRG-IONNQARKSA-N -1 0 319.325 -0.566 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001603894532 1018258338 /nfs/dbraw/zinc/25/83/38/1018258338.db2.gz RFSGGQBSCXBKEK-LBPRGKRZSA-N -1 0 320.367 -0.886 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC001603886186 1018258404 /nfs/dbraw/zinc/25/84/04/1018258404.db2.gz ZPZISHMVXQFTNK-UHFFFAOYSA-N -1 0 316.339 -0.940 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)c1cc(C(=O)[O-])co1 ZINC001603904616 1018259731 /nfs/dbraw/zinc/25/97/31/1018259731.db2.gz GPGLWWKUSKGMGS-UHFFFAOYSA-N -1 0 319.339 -0.460 20 0 DBADRM CC[S@@](=O)CCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603894874 1018259964 /nfs/dbraw/zinc/25/99/64/1018259964.db2.gz MJYVBNCGZULXKW-HXUWFJFHSA-N -1 0 300.336 -0.569 20 0 DBADRM CC[S@](=O)CCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603894856 1018260125 /nfs/dbraw/zinc/26/01/25/1018260125.db2.gz MJYVBNCGZULXKW-FQEVSTJZSA-N -1 0 300.336 -0.569 20 0 DBADRM CC[C@@H](CO)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603901813 1018260223 /nfs/dbraw/zinc/26/02/23/1018260223.db2.gz XANGHBGPSNYFJS-VHSXEESVSA-N -1 0 301.343 -0.478 20 0 DBADRM CC(C)NC(=O)CNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001603900275 1018260352 /nfs/dbraw/zinc/26/03/52/1018260352.db2.gz REFAVMYNUWSEAK-UHFFFAOYSA-N -1 0 301.324 -0.417 20 0 DBADRM CC(C)NC(=O)CCNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001603898860 1018260387 /nfs/dbraw/zinc/26/03/87/1018260387.db2.gz SAOBAZIMSKMCQN-UHFFFAOYSA-N -1 0 322.321 -0.251 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001603895902 1018260755 /nfs/dbraw/zinc/26/07/55/1018260755.db2.gz YMNVAMWLKKDRFO-QDXVKYEASA-N -1 0 318.395 -0.560 20 0 DBADRM C[C@@H]1CCSCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001603911285 1018261916 /nfs/dbraw/zinc/26/19/16/1018261916.db2.gz UVQANGHQZZADRF-MRVPVSSYSA-N -1 0 308.371 -0.188 20 0 DBADRM CC(C)OC1(CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])CCC1 ZINC001603913060 1018263136 /nfs/dbraw/zinc/26/31/36/1018263136.db2.gz LYYZBEHQNIXACV-VIFPVBQESA-N -1 0 304.318 -0.011 20 0 DBADRM C[C@H]1COCC[C@H]1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603946929 1018263651 /nfs/dbraw/zinc/26/36/51/1018263651.db2.gz FCVACXASMBINBZ-DTWKUNHWSA-N -1 0 321.345 -0.818 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)CCC1=O ZINC001603939208 1018265541 /nfs/dbraw/zinc/26/55/41/1018265541.db2.gz RDGKLKWAZWJCRB-MRVPVSSYSA-N -1 0 322.350 -0.139 20 0 DBADRM C[C@H]1CSC[C@@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001603946287 1018267175 /nfs/dbraw/zinc/26/71/75/1018267175.db2.gz ALOQXEWBWUXBJV-WDSKDSINSA-N -1 0 309.355 -0.171 20 0 DBADRM C[C@]1(NC(=O)Cc2ccon2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500200711 1018267583 /nfs/dbraw/zinc/26/75/83/1018267583.db2.gz PTKKFAFGAFFQCP-ZDUSSCGKSA-N -1 0 306.326 -0.178 20 0 DBADRM CCc1c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cnn1CC ZINC001603960352 1018268660 /nfs/dbraw/zinc/26/86/60/1018268660.db2.gz UEEQVRVOMSNWFJ-UHFFFAOYSA-N -1 0 308.338 -0.166 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001603967377 1018268817 /nfs/dbraw/zinc/26/88/17/1018268817.db2.gz QTSGKPDIIQYIKY-WDEREUQCSA-N -1 0 308.338 -0.113 20 0 DBADRM CC(C)[C@H]([NH2+]CCCNS(=O)(=O)c1ncc[n-]1)C(=O)[O-] ZINC001603981027 1018274495 /nfs/dbraw/zinc/27/44/95/1018274495.db2.gz ZKRXGTCIDSKODD-VIFPVBQESA-N -1 0 304.372 -0.223 20 0 DBADRM CC(C)[C@H](NC(=O)CN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)C(=O)[O-] ZINC001603972927 1018275113 /nfs/dbraw/zinc/27/51/13/1018275113.db2.gz PGTDNKSZNIAPMI-LFSVMHDDSA-N -1 0 311.382 -0.202 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCc2nn(C)c(=O)cc2C1)C(=O)[O-] ZINC001603971423 1018275385 /nfs/dbraw/zinc/27/53/85/1018275385.db2.gz CWDRDAOKJGPGND-AWEZNQCLSA-N -1 0 322.365 -0.636 20 0 DBADRM CCn1nc(C)c(C(=O)NCCOCCOCC(=O)[O-])n1 ZINC001604022523 1018277804 /nfs/dbraw/zinc/27/78/04/1018277804.db2.gz YBZZISQFPYALOG-UHFFFAOYSA-N -1 0 300.315 -0.546 20 0 DBADRM CC[C@H](C)[C@@H](OC)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603998130 1018278212 /nfs/dbraw/zinc/27/82/12/1018278212.db2.gz CCSYFHWKZYXATB-DTWKUNHWSA-N -1 0 308.346 -0.365 20 0 DBADRM CC[C@@](C)(CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)OC ZINC001603987775 1018278802 /nfs/dbraw/zinc/27/88/02/1018278802.db2.gz YMZCDUGDRNMWRL-UFBFGSQYSA-N -1 0 308.346 -0.050 20 0 DBADRM CC(C)c1nnnn1CC(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001604026523 1018279622 /nfs/dbraw/zinc/27/96/22/1018279622.db2.gz GIDTTYJNCXZATN-SNVBAGLBSA-N -1 0 307.314 -0.528 20 0 DBADRM CCn1cncc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)c1=O ZINC001604017792 1018280084 /nfs/dbraw/zinc/28/00/84/1018280084.db2.gz BVHVCHWUXMZJHI-SECBINFHSA-N -1 0 322.321 -0.475 20 0 DBADRM CN(C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)[C@H]1CCCOC1 ZINC001604024927 1018280150 /nfs/dbraw/zinc/28/01/50/1018280150.db2.gz YKNQTDWLIFFWOP-VIFPVBQESA-N -1 0 310.310 -0.456 20 0 DBADRM CN(C)C(=O)C1CCC(C(=O)OCC(=O)NCC(=O)[O-])CC1 ZINC001604041248 1018281649 /nfs/dbraw/zinc/28/16/49/1018281649.db2.gz MUQBXJDLNLQEIN-UHFFFAOYSA-N -1 0 314.338 -0.375 20 0 DBADRM CC(C)n1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001604037117 1018282562 /nfs/dbraw/zinc/28/25/62/1018282562.db2.gz KMCFMKMTVPIAGZ-SNVBAGLBSA-N -1 0 315.351 -0.212 20 0 DBADRM CC[C@@H](CCO)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001604030310 1018282827 /nfs/dbraw/zinc/28/28/27/1018282827.db2.gz RORIBHMHWSDBEW-QMMMGPOBSA-N -1 0 312.355 -0.299 20 0 DBADRM CC[C@H](F)C(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001604045186 1018283354 /nfs/dbraw/zinc/28/33/54/1018283354.db2.gz GIRXDIOKVVPUDU-YUMQZZPRSA-N -1 0 308.321 -0.257 20 0 DBADRM CC[C@H](NC(=O)NCCn1cnc(-c2nnn[n-]2)n1)C(F)F ZINC001604047296 1018284167 /nfs/dbraw/zinc/28/41/67/1018284167.db2.gz GICGBEJVGCJZKI-LURJTMIESA-N -1 0 315.288 -0.199 20 0 DBADRM CC(C)n1cc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cn1 ZINC001604036129 1018284741 /nfs/dbraw/zinc/28/47/41/1018284741.db2.gz MUXFRXAITBADMX-MNOVXSKESA-N -1 0 324.337 -0.161 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cc(C(=O)[O-])n[nH]2)O1 ZINC001604040483 1018284829 /nfs/dbraw/zinc/28/48/29/1018284829.db2.gz AMXSSXIERDJJHH-GMSGAONNSA-N -1 0 310.310 -0.527 20 0 DBADRM CC(C)n1ncc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1N ZINC001604043043 1018285104 /nfs/dbraw/zinc/28/51/04/1018285104.db2.gz PULJREVANZOGCN-JTQLQIEISA-N -1 0 323.353 -0.148 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001604045315 1018285211 /nfs/dbraw/zinc/28/52/11/1018285211.db2.gz ZJFUKZAIHZTSAR-IUCAKERBSA-N -1 0 322.348 -0.009 20 0 DBADRM CN(C)[C@@H](CNC(=O)c1cn(CC(=O)[O-])nn1)c1ccco1 ZINC001604053052 1018285839 /nfs/dbraw/zinc/28/58/39/1018285839.db2.gz JBFVGXFDNIPPGD-JTQLQIEISA-N -1 0 307.310 -0.012 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC001604058852 1018288012 /nfs/dbraw/zinc/28/80/12/1018288012.db2.gz HNGFFYWCBAUVGH-PBKGFPTLSA-N -1 0 320.367 -0.311 20 0 DBADRM CC[C@H](OC)C(=O)NCCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001604070663 1018290056 /nfs/dbraw/zinc/29/00/56/1018290056.db2.gz USGYCDDYZVEKNN-VIFPVBQESA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)C1CN(S(C)(=O)=O)C1)C1CC1 ZINC001604078851 1018290249 /nfs/dbraw/zinc/29/02/49/1018290249.db2.gz KJHHCSIXACPCLR-GFCCVEGCSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)[C@@H]1CC[C@H](C(N)=O)O1)c1ccncc1 ZINC001604082939 1018290668 /nfs/dbraw/zinc/29/06/68/1018290668.db2.gz ZFHQKMIUSZYKTB-ZETOZRRWSA-N -1 0 321.333 -0.079 20 0 DBADRM C[C@@H](CC(=O)N[C@H](Cc1cncs1)C(=O)[O-])NC(N)=O ZINC001604069005 1018291085 /nfs/dbraw/zinc/29/10/85/1018291085.db2.gz XYODGSQVGMHMGV-POYBYMJQSA-N -1 0 300.340 -0.298 20 0 DBADRM CC[C@@H](OC)C(=O)NCCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001604070657 1018292567 /nfs/dbraw/zinc/29/25/67/1018292567.db2.gz USGYCDDYZVEKNN-SECBINFHSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@H](CC(=O)N[C@@H](Cc1cncs1)C(=O)[O-])NC(N)=O ZINC001604069006 1018292683 /nfs/dbraw/zinc/29/26/83/1018292683.db2.gz XYODGSQVGMHMGV-SVRRBLITSA-N -1 0 300.340 -0.298 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)C[C@H]1CC(=O)NC1=O)c1cccnc1 ZINC001604077747 1018292807 /nfs/dbraw/zinc/29/28/07/1018292807.db2.gz JLKFVKWYXDBSSM-RFAUZJTJSA-N -1 0 319.317 -0.060 20 0 DBADRM CC[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@@H]1C ZINC001604105837 1018293490 /nfs/dbraw/zinc/29/34/90/1018293490.db2.gz NDHAKRHMKQZRGT-SFYZADRCSA-N -1 0 305.342 -0.122 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC001604105382 1018293652 /nfs/dbraw/zinc/29/36/52/1018293652.db2.gz QZWGDYAOGUTANI-VHSXEESVSA-N -1 0 322.383 -0.736 20 0 DBADRM CN(CC(=O)[O-])C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001604102758 1018294148 /nfs/dbraw/zinc/29/41/48/1018294148.db2.gz IULMHUIICRBODD-UHFFFAOYSA-N -1 0 302.327 -0.099 20 0 DBADRM CC[C@@]1(C)CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001604084381 1018294842 /nfs/dbraw/zinc/29/48/42/1018294842.db2.gz PUUZYCAYENMNLI-LBPRGKRZSA-N -1 0 306.330 -0.514 20 0 DBADRM CC[C@H]1CCCN1C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001604105786 1018295336 /nfs/dbraw/zinc/29/53/36/1018295336.db2.gz LIGOPAGZPKTHQJ-QMMMGPOBSA-N -1 0 319.325 -0.470 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001604103550 1018295757 /nfs/dbraw/zinc/29/57/57/1018295757.db2.gz CKCFWBRCWVHBQR-GHMZBOCLSA-N -1 0 312.366 -0.023 20 0 DBADRM CN(C)c1ncccc1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001604092364 1018295903 /nfs/dbraw/zinc/29/59/03/1018295903.db2.gz DIOXZJSVNPQEBO-JTQLQIEISA-N -1 0 307.306 -0.010 20 0 DBADRM CC[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@H]1C ZINC001604105838 1018295957 /nfs/dbraw/zinc/29/59/57/1018295957.db2.gz NDHAKRHMKQZRGT-YUMQZZPRSA-N -1 0 305.342 -0.122 20 0 DBADRM CC[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@@H]1C ZINC001604105835 1018296536 /nfs/dbraw/zinc/29/65/36/1018296536.db2.gz NDHAKRHMKQZRGT-HTQZYQBOSA-N -1 0 305.342 -0.122 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccn3nnnc3c2)CC1 ZINC001604114144 1018299896 /nfs/dbraw/zinc/29/98/96/1018299896.db2.gz DPAKERUSKGJNPQ-JTQLQIEISA-N -1 0 318.337 -0.255 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc3n(n2)CCO3)CC1 ZINC001604113741 1018300273 /nfs/dbraw/zinc/30/02/73/1018300273.db2.gz JUERERZBNXGMRD-SNVBAGLBSA-N -1 0 308.338 -0.104 20 0 DBADRM CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001604125038 1018300602 /nfs/dbraw/zinc/30/06/02/1018300602.db2.gz XQOZGGRVFTVUGE-BQBZGAKWSA-N -1 0 312.244 -0.699 20 0 DBADRM C[C@@](CCF)(NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1)C(=O)[O-] ZINC001604139323 1018301728 /nfs/dbraw/zinc/30/17/28/1018301728.db2.gz IVMVDZSPVZLGNU-LNLATYFQSA-N -1 0 300.290 -0.093 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001604133765 1018302998 /nfs/dbraw/zinc/30/29/98/1018302998.db2.gz HSJNJZLIQAPZRD-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H](CCNC(=O)[C@H]1CCNC1=O)Nc1ncc(C(=O)[O-])cn1 ZINC001604141164 1018303024 /nfs/dbraw/zinc/30/30/24/1018303024.db2.gz NHFRALFGKQJBKF-WCBMZHEXSA-N -1 0 321.337 -0.382 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001604133767 1018303126 /nfs/dbraw/zinc/30/31/26/1018303126.db2.gz HSJNJZLIQAPZRD-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(CCO)Cc1ccccc1 ZINC001604134176 1018303826 /nfs/dbraw/zinc/30/38/26/1018303826.db2.gz TZEGVFPEOPCKRX-UHFFFAOYSA-N -1 0 308.334 -0.059 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC001604134312 1018304113 /nfs/dbraw/zinc/30/41/13/1018304113.db2.gz WGLAIMZFQZTSKX-AWEZNQCLSA-N -1 0 314.338 -0.673 20 0 DBADRM CN(CCC(=O)[O-])C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 ZINC001604143124 1018304787 /nfs/dbraw/zinc/30/47/87/1018304787.db2.gz LNIPQRXEDJZBIX-VIFPVBQESA-N -1 0 313.285 -0.756 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC001604157371 1018304938 /nfs/dbraw/zinc/30/49/38/1018304938.db2.gz DPKICHDRFKVLII-UHFFFAOYSA-N -1 0 320.327 -0.057 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001604148739 1018305187 /nfs/dbraw/zinc/30/51/87/1018305187.db2.gz ZGDUIGWYYFKMCA-OPRDCNLKSA-N -1 0 322.383 -0.402 20 0 DBADRM C[C@@]1(NC(=O)C[C@@H]2CCC(=O)N2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500269474 1018305219 /nfs/dbraw/zinc/30/52/19/1018305219.db2.gz RUFDUKSJPOUQCK-LKFCYVNXSA-N -1 0 322.369 -0.740 20 0 DBADRM C[C@H](CN(C)C(=O)c1cnnn1C)Nc1ccnc(C(=O)[O-])n1 ZINC001604158322 1018306047 /nfs/dbraw/zinc/30/60/47/1018306047.db2.gz MOXRQPCNPRYECN-MRVPVSSYSA-N -1 0 319.325 -0.702 20 0 DBADRM CCC[C@@H](O)CNS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001604147321 1018307128 /nfs/dbraw/zinc/30/71/28/1018307128.db2.gz PJWOJKRLEYIUBP-MRVPVSSYSA-N -1 0 312.355 -0.299 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1ccnc(C(=O)[O-])n1 ZINC001604153348 1018307295 /nfs/dbraw/zinc/30/72/95/1018307295.db2.gz JBJURRLQZITGFF-DTWKUNHWSA-N -1 0 321.337 -0.866 20 0 DBADRM CCC[C@@H](NCCn1cnc(-c2nnn[n-]2)n1)C(=O)OCC ZINC001604145097 1018307539 /nfs/dbraw/zinc/30/75/39/1018307539.db2.gz OEIVSPRNFVPHEN-SECBINFHSA-N -1 0 308.346 -0.220 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1)C(=O)[O-] ZINC001604210655 1018321812 /nfs/dbraw/zinc/32/18/12/1018321812.db2.gz NXKLHNDEOWWGST-HRDYMLBCSA-N -1 0 306.340 -0.533 20 0 DBADRM C[C@@H](CN1CCC[C@H]1C(=O)NCC(=O)[O-])CS(C)(=O)=O ZINC001604164475 1018308333 /nfs/dbraw/zinc/30/83/33/1018308333.db2.gz BCEDSDQOVKPJRA-UWVGGRQHSA-N -1 0 306.384 -0.668 20 0 DBADRM C[C@@H](CN1C(=O)N[C@H](CCC(=O)[O-])C1=O)CN1CCOCC1 ZINC001604167518 1018309101 /nfs/dbraw/zinc/30/91/01/1018309101.db2.gz POIYKPXMBUREMJ-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cncnc1)Nc1ccnc(C(=O)[O-])n1 ZINC001604158475 1018309418 /nfs/dbraw/zinc/30/94/18/1018309418.db2.gz VKEJZFGLYNQVDD-VIFPVBQESA-N -1 0 316.321 -0.041 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)C1CC1 ZINC001604168170 1018309666 /nfs/dbraw/zinc/30/96/66/1018309666.db2.gz GQNMYKALXKIMBU-VFZGTOFNSA-N -1 0 323.349 -0.019 20 0 DBADRM C[C@H](CN(C)S(C)(=O)=O)OC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001604159096 1018309747 /nfs/dbraw/zinc/30/97/47/1018309747.db2.gz LPGBMZBLYLKVFW-MRVPVSSYSA-N -1 0 319.339 -0.596 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001604167144 1018309851 /nfs/dbraw/zinc/30/98/51/1018309851.db2.gz NEQRPDIXBUEFPB-WRWGMCAJSA-N -1 0 300.355 -0.299 20 0 DBADRM C[C@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001604158820 1018309910 /nfs/dbraw/zinc/30/99/10/1018309910.db2.gz CGVVYTKPEQZXSV-HLTSFMKQSA-N -1 0 321.337 -0.763 20 0 DBADRM C[C@H](CN1CCOCC1)C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001604166834 1018310433 /nfs/dbraw/zinc/31/04/33/1018310433.db2.gz HPBFLOFLRGWZNA-BXUZGUMPSA-N -1 0 300.355 -0.295 20 0 DBADRM C[C@H](CNC(=O)N1CC(O)(C(=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001604174434 1018311313 /nfs/dbraw/zinc/31/13/13/1018311313.db2.gz NTTCUYBEPDNXSE-MRVPVSSYSA-N -1 0 317.342 -0.260 20 0 DBADRM C[C@@H](CNC(=O)C[C@H]1CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001604174533 1018311316 /nfs/dbraw/zinc/31/13/16/1018311316.db2.gz VZOVYYCFBXONAT-VHSXEESVSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@H](CNC(=O)Cn1cccn1)CNc1ccnc(C(=O)[O-])n1 ZINC001604174476 1018311853 /nfs/dbraw/zinc/31/18/53/1018311853.db2.gz PZYJIGXMGOAMRJ-JTQLQIEISA-N -1 0 318.337 -0.342 20 0 DBADRM C[C@H](CNC(=O)CCNC(N)=O)N(C)c1ccnc(C(=O)[O-])n1 ZINC001604174575 1018311919 /nfs/dbraw/zinc/31/19/19/1018311919.db2.gz YLUFTAJTPPPXOE-MRVPVSSYSA-N -1 0 324.341 -0.826 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCNC1=O)N(C)c1ccnc(C(=O)[O-])n1 ZINC001604172775 1018312226 /nfs/dbraw/zinc/31/22/26/1018312226.db2.gz DRHPDLMQOBCCNT-BDAKNGLRSA-N -1 0 321.337 -0.748 20 0 DBADRM C[C@H](CNC(=O)Cn1cccn1)Nc1ccnc(C(=O)[O-])n1 ZINC001604174710 1018312568 /nfs/dbraw/zinc/31/25/68/1018312568.db2.gz VKHNCVNYDYAMIE-SECBINFHSA-N -1 0 304.310 -0.590 20 0 DBADRM C[C@@H](CNC(=O)C[C@@H]1CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001604174532 1018312728 /nfs/dbraw/zinc/31/27/28/1018312728.db2.gz VZOVYYCFBXONAT-UWVGGRQHSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@](CO)(NC(=O)CN1c2ccccc2OCCC1=O)C(=O)[O-] ZINC001604190982 1018313922 /nfs/dbraw/zinc/31/39/22/1018313922.db2.gz LWCRRPNIGLBSKA-OAHLLOKOSA-N -1 0 322.317 -0.246 20 0 DBADRM C[C@@H](CNC(=O)c1cnnn1C)N(C)c1ccnc(C(=O)[O-])n1 ZINC001604183944 1018314244 /nfs/dbraw/zinc/31/42/44/1018314244.db2.gz PHCBYGCHSDNDIN-QMMMGPOBSA-N -1 0 319.325 -0.442 20 0 DBADRM C[C@H](CNC(=O)c1cnnn1C)CNc1ccnc(C(=O)[O-])n1 ZINC001604183567 1018314500 /nfs/dbraw/zinc/31/45/00/1018314500.db2.gz KXWXXSNJQYBKBA-QMMMGPOBSA-N -1 0 319.325 -0.797 20 0 DBADRM C[C@@H](CNS(=O)(=O)CCCCCC(=O)[O-])S(C)(=O)=O ZINC001604186159 1018314588 /nfs/dbraw/zinc/31/45/88/1018314588.db2.gz QTRSUQODVOWHSE-VIFPVBQESA-N -1 0 315.413 -0.016 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)Cn1cncn1 ZINC001604190519 1018314761 /nfs/dbraw/zinc/31/47/61/1018314761.db2.gz MIMUBDFLVMOMKL-SECBINFHSA-N -1 0 319.325 -0.853 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1ncccn1 ZINC001604190069 1018314978 /nfs/dbraw/zinc/31/49/78/1018314978.db2.gz IRUGVSNNJQEIEH-SECBINFHSA-N -1 0 316.321 -0.041 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)Cc1cc[nH]n1 ZINC001604190771 1018314993 /nfs/dbraw/zinc/31/49/93/1018314993.db2.gz MZVTYSKPSPGLEV-VIFPVBQESA-N -1 0 318.337 -0.179 20 0 DBADRM C[C@H](CNS(=O)(=O)c1n[nH]cc1C(=O)[O-])Cn1cccn1 ZINC001604185346 1018315072 /nfs/dbraw/zinc/31/50/72/1018315072.db2.gz DUSDXOZWZDNJQP-MRVPVSSYSA-N -1 0 313.339 -0.081 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1cnn(C)c1 ZINC001604190021 1018315303 /nfs/dbraw/zinc/31/53/03/1018315303.db2.gz HVTUAADIOWHQPM-VIFPVBQESA-N -1 0 318.337 -0.097 20 0 DBADRM C[C@@H](CNC(=O)c1cnnn1C)CNc1ccnc(C(=O)[O-])n1 ZINC001604183561 1018315468 /nfs/dbraw/zinc/31/54/68/1018315468.db2.gz KXWXXSNJQYBKBA-MRVPVSSYSA-N -1 0 319.325 -0.797 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001604177529 1018315543 /nfs/dbraw/zinc/31/55/43/1018315543.db2.gz HSCNGZLJSAMQHA-UHFFFAOYSA-N -1 0 316.339 -0.207 20 0 DBADRM C[C@](CO)(NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)[O-] ZINC001604191819 1018316357 /nfs/dbraw/zinc/31/63/57/1018316357.db2.gz QWDFHPCBKGVKGI-XJKSGUPXSA-N -1 0 322.361 -0.161 20 0 DBADRM C[C@@](CO)(NC(=O)c1cccc(Cn2cncn2)c1)C(=O)[O-] ZINC001604193449 1018316575 /nfs/dbraw/zinc/31/65/75/1018316575.db2.gz PEFCNCSLZHQHSH-AWEZNQCLSA-N -1 0 304.306 -0.108 20 0 DBADRM CN(Cc1nnc2ccccn21)[C@H]1CCN(CC(=O)[O-])C1=O ZINC001604195740 1018317014 /nfs/dbraw/zinc/31/70/14/1018317014.db2.gz VDEXSSYHBYQDMP-JTQLQIEISA-N -1 0 303.322 -0.153 20 0 DBADRM CN1CCC(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CC1 ZINC001604202669 1018319026 /nfs/dbraw/zinc/31/90/26/1018319026.db2.gz IOUQHXIUFRRRIS-JTQLQIEISA-N -1 0 304.368 -0.962 20 0 DBADRM C[C@@H](CO)CCCNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001604198673 1018319254 /nfs/dbraw/zinc/31/92/54/1018319254.db2.gz KSUXGZQYUKFSBH-MXWKQRLJSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1cnn(C2CCC2)c1)C(=O)[O-] ZINC001604198076 1018320008 /nfs/dbraw/zinc/32/00/08/1018320008.db2.gz ANWXVCCBPPWKOG-LLVKDONJSA-N -1 0 303.340 -0.278 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1cnc2n1CCCC2)C(=O)[O-] ZINC001604199320 1018319421 /nfs/dbraw/zinc/31/94/21/1018319421.db2.gz ZBPJAQVEKQJNNW-NSHDSACASA-N -1 0 303.340 -0.667 20 0 DBADRM CN1CC[C@H](C(=O)O[C@H]2CCCCN(CC(=O)[O-])C2=O)C1=O ZINC001604202587 1018319670 /nfs/dbraw/zinc/31/96/70/1018319670.db2.gz HPMFUEFIAJJAOR-UWVGGRQHSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1CC[C@@H](C(=O)NC2(CC(=O)[O-])CCOCC2)S1(=O)=O ZINC001604203538 1018319788 /nfs/dbraw/zinc/31/97/88/1018319788.db2.gz VSCNZZCBDDJFRU-VIFPVBQESA-N -1 0 320.367 -0.840 20 0 DBADRM C[C@](CO)(NS(=O)(=O)C[C@@H]1CCC2(CCC2)O1)C(=O)[O-] ZINC001604198914 1018320547 /nfs/dbraw/zinc/32/05/47/1018320547.db2.gz NXLDELDRFYJJTR-GXSJLCMTSA-N -1 0 307.368 -0.157 20 0 DBADRM C[C@@H](CO[C@H]1CCOC1)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001604202131 1018320576 /nfs/dbraw/zinc/32/05/76/1018320576.db2.gz DLGDFIDQTRRDDA-WHOHXGKFSA-N -1 0 316.354 -0.031 20 0 DBADRM CN1C[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])NC1=O ZINC001604201393 1018320932 /nfs/dbraw/zinc/32/09/32/1018320932.db2.gz SGYCNKGLTULSOZ-QWRGUYRKSA-N -1 0 307.306 -0.472 20 0 DBADRM C[C@@H](CS(=O)(=O)N(CC(N)=O)C1CCOCC1)C(=O)[O-] ZINC001604206638 1018322498 /nfs/dbraw/zinc/32/24/98/1018322498.db2.gz QAWOBWDTVNMICN-QMMMGPOBSA-N -1 0 308.356 -0.997 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)C(=O)[O-] ZINC001604206491 1018323647 /nfs/dbraw/zinc/32/36/47/1018323647.db2.gz LUHHFUJDUHVQIO-QWRGUYRKSA-N -1 0 322.427 -0.186 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O)C(=O)[O-] ZINC001604210639 1018323897 /nfs/dbraw/zinc/32/38/97/1018323897.db2.gz NUNHOGMKDYFHPU-KXUCPTDWSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@@H](C[S@](C)=O)N(C)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001604211842 1018324992 /nfs/dbraw/zinc/32/49/92/1018324992.db2.gz XVEQUGGYZXNWAV-FPVGNUTFSA-N -1 0 314.363 -0.228 20 0 DBADRM CN1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)C[C@H]1CO ZINC001604221824 1018325059 /nfs/dbraw/zinc/32/50/59/1018325059.db2.gz WQPGXXVYUYWROK-LBPRGKRZSA-N -1 0 308.334 -0.102 20 0 DBADRM CN1CCN(C(=O)C(=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001604216688 1018325287 /nfs/dbraw/zinc/32/52/87/1018325287.db2.gz TWXQIWWCXJLZET-SECBINFHSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001604211866 1018327727 /nfs/dbraw/zinc/32/77/27/1018327727.db2.gz YSXMFGMINBPAOG-JOYOIKCWSA-N -1 0 307.368 -0.193 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCC1=O ZINC001604220880 1018327580 /nfs/dbraw/zinc/32/75/80/1018327580.db2.gz IYSDBCVUBUFQQS-JTQLQIEISA-N -1 0 311.338 -1.000 20 0 DBADRM CN1CCn2c(CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)nnc2C1=O ZINC001604231461 1018328593 /nfs/dbraw/zinc/32/85/93/1018328593.db2.gz STVSCCGLUHXKBR-SECBINFHSA-N -1 0 323.353 -0.273 20 0 DBADRM CN1CCN(c2cc(NCCOCC(=O)[O-])ncn2)CC1=O ZINC001604227341 1018328763 /nfs/dbraw/zinc/32/87/63/1018328763.db2.gz BKKIDDCOCOMTHG-UHFFFAOYSA-N -1 0 309.326 -0.732 20 0 DBADRM CNC(=O)CN1CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)CC1 ZINC001604236754 1018329078 /nfs/dbraw/zinc/32/90/78/1018329078.db2.gz FAFBNQWJTMTHFU-UHFFFAOYSA-N -1 0 321.337 -0.325 20 0 DBADRM CNC(=O)C1CN(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC001604231695 1018329102 /nfs/dbraw/zinc/32/91/02/1018329102.db2.gz BGQMFGHKSKVEEK-UHFFFAOYSA-N -1 0 309.326 -0.088 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)N(C)CCCC(=O)[O-])CC1 ZINC001604237142 1018329712 /nfs/dbraw/zinc/32/97/12/1018329712.db2.gz XEWUWNGIPYDIFK-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM CNC(=O)CCCCC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001604237118 1018330789 /nfs/dbraw/zinc/33/07/89/1018330789.db2.gz VUJCOOWJXLMRAK-AWEZNQCLSA-N -1 0 316.354 -0.379 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC001604240407 1018330816 /nfs/dbraw/zinc/33/08/16/1018330816.db2.gz CPKPQQDOVJYZKR-JTQLQIEISA-N -1 0 322.321 -0.450 20 0 DBADRM CNC(=O)c1cccc(CNCCS(=O)(=O)CC(=O)[O-])c1 ZINC001604247043 1018332106 /nfs/dbraw/zinc/33/21/06/1018332106.db2.gz BRNXTXGBYAJGEW-UHFFFAOYSA-N -1 0 314.363 -0.365 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)CN1CSCC1=O)C(=O)[O-] ZINC001604243268 1018332228 /nfs/dbraw/zinc/33/22/28/1018332228.db2.gz PDZHQXQNDJKCDF-GFCCVEGCSA-N -1 0 312.351 -0.625 20 0 DBADRM CNS(=O)(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC001604248943 1018332240 /nfs/dbraw/zinc/33/22/40/1018332240.db2.gz BUEHSWACZHSBMO-IUCAKERBSA-N -1 0 302.356 -0.626 20 0 DBADRM C[C@](Cn1cccn1)(NCC(=O)N=S(C)(C)=O)C(=O)[O-] ZINC001604243138 1018332505 /nfs/dbraw/zinc/33/25/05/1018332505.db2.gz AJRYUIPDQISYAC-LLVKDONJSA-N -1 0 302.356 -0.430 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ncnn1C ZINC001604255747 1018334155 /nfs/dbraw/zinc/33/41/55/1018334155.db2.gz KLLJPUFGXSEKJJ-DTWKUNHWSA-N -1 0 309.326 -0.542 20 0 DBADRM CC(F)(F)CCS(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001604250638 1018335433 /nfs/dbraw/zinc/33/54/33/1018335433.db2.gz HJBNLJAZSXRHJN-ZETCQYMHSA-N -1 0 314.310 -0.363 20 0 DBADRM C[C@H](NC(=O)C1CCCC1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001604264660 1018336306 /nfs/dbraw/zinc/33/63/06/1018336306.db2.gz NIBYAPIMORUBEZ-VIFPVBQESA-N -1 0 323.353 -0.213 20 0 DBADRM CCN(C)C(=O)COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604267985 1018336803 /nfs/dbraw/zinc/33/68/03/1018336803.db2.gz FVMJWLFIYATCCO-SSDOTTSWSA-N -1 0 308.302 -0.959 20 0 DBADRM C[C@@H](NC(=O)C(=O)NCCCCC(=O)[O-])c1nnnn1C1CC1 ZINC001604261773 1018336873 /nfs/dbraw/zinc/33/68/73/1018336873.db2.gz PWSKBZWTWMJFBO-MRVPVSSYSA-N -1 0 324.341 -0.444 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC001604262615 1018337472 /nfs/dbraw/zinc/33/74/72/1018337472.db2.gz GWMGJVJLPQNHHF-SFYZADRCSA-N -1 0 302.327 -0.330 20 0 DBADRM CCN(C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)[C@H]1CCNC1=O ZINC001604267146 1018337558 /nfs/dbraw/zinc/33/75/58/1018337558.db2.gz UHMFUWNJVLOBME-JTQLQIEISA-N -1 0 316.321 -0.077 20 0 DBADRM COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001604263299 1018338056 /nfs/dbraw/zinc/33/80/56/1018338056.db2.gz YCZCRZOQZRAERV-ZETCQYMHSA-N -1 0 309.278 -0.356 20 0 DBADRM CCN(CC(=O)OC)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604274696 1018338791 /nfs/dbraw/zinc/33/87/91/1018338791.db2.gz RNMUHJAPCIJQOE-ZETCQYMHSA-N -1 0 308.302 -0.959 20 0 DBADRM COC(=O)C12CC(C1)CN2C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604275659 1018338869 /nfs/dbraw/zinc/33/88/69/1018338869.db2.gz HAECFPPTRGGIJA-KGXJWFGYSA-N -1 0 324.333 -0.526 20 0 DBADRM C[C@](NC(=O)CCN1C(=O)CCNC1=S)(C(=O)[O-])C1CC1 ZINC001604269872 1018339422 /nfs/dbraw/zinc/33/94/22/1018339422.db2.gz RKHAISGSUMSXBI-CYBMUJFWSA-N -1 0 313.379 -0.147 20 0 DBADRM C[C@@H](NC(=O)CN1CCSC[C@@H](C(=O)[O-])C1)C(=O)N(C)C ZINC001604274983 1018339553 /nfs/dbraw/zinc/33/95/53/1018339553.db2.gz IGLPLNKJVJFRFA-ZJUUUORDSA-N -1 0 317.411 -0.671 20 0 DBADRM C[C@H](NC(=O)CN[C@@H](C(=O)[O-])c1cccc(O)c1)C(=O)N(C)C ZINC001604272964 1018339722 /nfs/dbraw/zinc/33/97/22/1018339722.db2.gz JKWDBBSFWNNSKS-TVQRCGJNSA-N -1 0 323.349 -0.300 20 0 DBADRM C[C@@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)[C@H](O)C(F)(F)F ZINC001604277284 1018340227 /nfs/dbraw/zinc/34/02/27/1018340227.db2.gz KLVABPHYRXWTBR-MUWHJKNJSA-N -1 0 322.239 -0.026 20 0 DBADRM CCN(CC(=O)OC)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604274694 1018341273 /nfs/dbraw/zinc/34/12/73/1018341273.db2.gz RNMUHJAPCIJQOE-SSDOTTSWSA-N -1 0 308.302 -0.959 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N(OC)[C@@H](C)C(=O)[O-])C1=O ZINC001604291121 1018342114 /nfs/dbraw/zinc/34/21/14/1018342114.db2.gz VEVDCJIBNFEDPR-DTWKUNHWSA-N -1 0 316.310 -0.739 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)C(=O)NC1CC1)C[C@H]2C(=O)[O-] ZINC001604280245 1018342351 /nfs/dbraw/zinc/34/23/51/1018342351.db2.gz MIGIOFDPKOQSMY-VGWYGZTPSA-N -1 0 324.333 -0.623 20 0 DBADRM C[C@H](NC(=O)N1C[C@H](CO)[C@H](O)C1)c1ncc(C(=O)[O-])s1 ZINC001604278738 1018342565 /nfs/dbraw/zinc/34/25/65/1018342565.db2.gz GCBPRCJNBAOAIS-XLPZGREQSA-N -1 0 315.351 -0.103 20 0 DBADRM C[C@@H](NC(=O)NCCC(=O)NCCC(=O)[O-])c1nncn1C ZINC001604289463 1018342901 /nfs/dbraw/zinc/34/29/01/1018342901.db2.gz FUJUXVVSXNRJRJ-MRVPVSSYSA-N -1 0 312.330 -0.844 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC)CCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001604280358 1018342919 /nfs/dbraw/zinc/34/29/19/1018342919.db2.gz NZLORKAOISGCCN-VWYCJHECSA-N -1 0 314.338 -0.676 20 0 DBADRM COC(=O)C1=CC[C@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001604279832 1018343280 /nfs/dbraw/zinc/34/32/80/1018343280.db2.gz FYDMAKURPUBSMW-PGUXBMHVSA-N -1 0 324.333 -0.009 20 0 DBADRM C[C@H](NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC001604283106 1018344005 /nfs/dbraw/zinc/34/40/05/1018344005.db2.gz PDJYJROYMODUSS-BJDJZHNGSA-N -1 0 315.370 -0.411 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H](C)c1nncn1C)C(=O)[O-] ZINC001604290159 1018344480 /nfs/dbraw/zinc/34/44/80/1018344480.db2.gz DAJCLUQCGINXHF-FXQIFTODSA-N -1 0 312.330 -0.847 20 0 DBADRM COC(=O)C[C@@]1(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCOC1 ZINC001604299663 1018345258 /nfs/dbraw/zinc/34/52/58/1018345258.db2.gz XBSQWEFNJSVMRY-UFBFGSQYSA-N -1 0 300.267 -0.946 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H](NC(C)=O)C(C)C ZINC001604302765 1018345397 /nfs/dbraw/zinc/34/53/97/1018345397.db2.gz APQHRWDQKIRAFI-GFCCVEGCSA-N -1 0 302.327 -0.377 20 0 DBADRM C[C@H](NC(=O)NCc1nnn(C)n1)c1ncc(C(=O)[O-])s1 ZINC001604292130 1018346437 /nfs/dbraw/zinc/34/64/37/1018346437.db2.gz RDZAWBOOMLISCI-YFKPBYRVSA-N -1 0 311.327 -0.075 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(C)(C)C(=O)[O-])C[C@H]1C(=O)OC ZINC001604292278 1018347549 /nfs/dbraw/zinc/34/75/49/1018347549.db2.gz IRBRLJMHIRYUFR-OCAPTIKFSA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])Cn1nc2ccccn2c1=O ZINC001604317371 1018348004 /nfs/dbraw/zinc/34/80/04/1018348004.db2.gz PLMKXINJSASAEO-UHFFFAOYSA-N -1 0 308.294 -0.597 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001604312388 1018348028 /nfs/dbraw/zinc/34/80/28/1018348028.db2.gz AFQWUAXDGRSBSY-SCZZXKLOSA-N -1 0 321.293 -0.741 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1c2c(nn1C)CCC2 ZINC001604306120 1018348248 /nfs/dbraw/zinc/34/82/48/1018348248.db2.gz LDOCRPLIBBTKOQ-UHFFFAOYSA-N -1 0 309.322 -0.001 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)N(C)[C@@H](C)C1CC1 ZINC001604317158 1018349363 /nfs/dbraw/zinc/34/93/63/1018349363.db2.gz BCNIXPHJEJFBLY-VIFPVBQESA-N -1 0 322.383 -0.089 20 0 DBADRM COC(=O)C[C@@H]1COCCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001604304103 1018349770 /nfs/dbraw/zinc/34/97/70/1018349770.db2.gz KNIIBMXUVGNUPI-VXNVDRBHSA-N -1 0 300.267 -0.994 20 0 DBADRM COC(=O)C[C@H]1CS(=O)(=O)CCN1[C@H](C(=O)[O-])C1CC1 ZINC001604303952 1018349879 /nfs/dbraw/zinc/34/98/79/1018349879.db2.gz HCRGFIKOBHFMOT-ONGXEEELSA-N -1 0 305.352 -0.488 20 0 DBADRM C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@H](CO)C(=O)[O-] ZINC001604306942 1018350301 /nfs/dbraw/zinc/35/03/01/1018350301.db2.gz KIHIRYMIOHAGAM-OIBJUYFYSA-N -1 0 320.305 -0.757 20 0 DBADRM COC(=O)COCCNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001604332285 1018354870 /nfs/dbraw/zinc/35/48/70/1018354870.db2.gz ILYVEHPKYOLKAP-UHFFFAOYSA-N -1 0 303.311 -0.436 20 0 DBADRM COC(=O)CC[C@H](NC(=O)C1=C2CCCN=C2NN1)C(=O)[O-] ZINC001604322061 1018351857 /nfs/dbraw/zinc/35/18/57/1018351857.db2.gz KGNDEUJXSYTKDJ-QMMMGPOBSA-N -1 0 310.310 -0.937 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001604326003 1018352243 /nfs/dbraw/zinc/35/22/43/1018352243.db2.gz IZTWIFUZANOBRD-HRDYMLBCSA-N -1 0 301.295 -0.292 20 0 DBADRM COC(=O)CC[C@H](NC(=O)C(=O)N1CCC[C@H](C)C1)C(=O)[O-] ZINC001604318429 1018352440 /nfs/dbraw/zinc/35/24/40/1018352440.db2.gz WHSAFBSTEGEKKH-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1cccc2ncnn21)C(=O)[O-] ZINC001604322518 1018352992 /nfs/dbraw/zinc/35/29/92/1018352992.db2.gz UVFJAGQFVXTWJK-QMMMGPOBSA-N -1 0 306.278 -0.135 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NC1(C(=O)[O-])CCSCC1 ZINC001604357696 1018358179 /nfs/dbraw/zinc/35/81/79/1018358179.db2.gz DOLSUQBKCBKUSQ-ZETCQYMHSA-N -1 0 310.397 -0.609 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)OCc1noc(CCC(=O)[O-])n1 ZINC001604359510 1018358542 /nfs/dbraw/zinc/35/85/42/1018358542.db2.gz VXSXISZMXBKIRZ-LURJTMIESA-N -1 0 321.311 -0.932 20 0 DBADRM C[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@@H]1CN(C)CCO1 ZINC001604354075 1018359734 /nfs/dbraw/zinc/35/97/34/1018359734.db2.gz KRURTEXIONNWFX-CBAPKCEASA-N -1 0 318.355 -0.895 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)OCc1noc(CCC(=O)[O-])n1 ZINC001604359516 1018360054 /nfs/dbraw/zinc/36/00/54/1018360054.db2.gz VXSXISZMXBKIRZ-ZCFIWIBFSA-N -1 0 321.311 -0.932 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NCCc1ccccc1C(=O)[O-] ZINC001604358657 1018360513 /nfs/dbraw/zinc/36/05/13/1018360513.db2.gz PAFZJRGNXWNUPF-VIFPVBQESA-N -1 0 314.363 -0.019 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H](C)C(=O)[O-] ZINC001604361550 1018361531 /nfs/dbraw/zinc/36/15/31/1018361531.db2.gz OZOPAKGZTRFGFN-CSMHCCOUSA-N -1 0 303.315 -0.928 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1ccc(=O)c2ccccc21)C(=O)[O-] ZINC001604372387 1018362510 /nfs/dbraw/zinc/36/25/10/1018362510.db2.gz MRRFVKRIDQTLHW-OAHLLOKOSA-N -1 0 304.302 -0.047 20 0 DBADRM C[C@H](O)C(C)(C)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001604377215 1018366461 /nfs/dbraw/zinc/36/64/61/1018366461.db2.gz CCQMFJMZTVISEX-UWVGGRQHSA-N -1 0 300.355 -0.167 20 0 DBADRM O=C(C[C@@H]1C=CCC1)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500631342 1018367309 /nfs/dbraw/zinc/36/73/09/1018367309.db2.gz MRFQTOVCLGFBAY-IAQYHMDHSA-N -1 0 321.381 -0.080 20 0 DBADRM C[C@H](O)CN1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)[C@@H](C)C1 ZINC001604387370 1018367682 /nfs/dbraw/zinc/36/76/82/1018367682.db2.gz OCSHVMKCHHGSCY-QWRGUYRKSA-N -1 0 320.411 -0.290 20 0 DBADRM C[C@@H](O)C[C@H](C)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604383963 1018367835 /nfs/dbraw/zinc/36/78/35/1018367835.db2.gz RSJGQDUNQQVZDQ-VHSXEESVSA-N -1 0 303.359 -0.326 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ocnc1C(=O)[O-] ZINC001604380235 1018367969 /nfs/dbraw/zinc/36/79/69/1018367969.db2.gz UPYQJXHCIYRSAG-HZGVNTEJSA-N -1 0 311.294 -0.735 20 0 DBADRM C[C@@H](O)C[C@@H]1COCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001604384858 1018368154 /nfs/dbraw/zinc/36/81/54/1018368154.db2.gz XWQYUJFYMPAKJS-RKDXNWHRSA-N -1 0 318.351 -0.127 20 0 DBADRM O=C(C[C@H]1C=CCC1)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500631344 1018368805 /nfs/dbraw/zinc/36/88/05/1018368805.db2.gz MRFQTOVCLGFBAY-XHDPSFHLSA-N -1 0 321.381 -0.080 20 0 DBADRM C[C@@H](O)C[C@@H](C)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604383961 1018368920 /nfs/dbraw/zinc/36/89/20/1018368920.db2.gz RSJGQDUNQQVZDQ-NXEZZACHSA-N -1 0 303.359 -0.326 20 0 DBADRM CCO[C@H](C)C(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001604397609 1018370419 /nfs/dbraw/zinc/37/04/19/1018370419.db2.gz GGPXAVDZAKCKPG-SECBINFHSA-N -1 0 320.357 -0.626 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)nn1 ZINC001604389705 1018371347 /nfs/dbraw/zinc/37/13/47/1018371347.db2.gz ZVCLFKGXFQUYAG-PRHODGIISA-N -1 0 312.326 -0.985 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCC[C@H](C(N)=O)C1)C(=O)NCC(=O)[O-] ZINC001604395909 1018372268 /nfs/dbraw/zinc/37/22/68/1018372268.db2.gz ARHVTXWLJFHUGF-CIUDSAMLSA-N -1 0 300.311 -0.589 20 0 DBADRM COC(=O)c1ncoc1CCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001604410771 1018373864 /nfs/dbraw/zinc/37/38/64/1018373864.db2.gz DVKBQYSCJJTVOL-VIFPVBQESA-N -1 0 312.278 -0.294 20 0 DBADRM COC(=O)c1coc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC001604403890 1018374294 /nfs/dbraw/zinc/37/42/94/1018374294.db2.gz XTITZECMYQUKOF-QMMMGPOBSA-N -1 0 311.246 -0.092 20 0 DBADRM CCOC1CC(N(C)C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001604408249 1018374404 /nfs/dbraw/zinc/37/44/04/1018374404.db2.gz HLFYSNSIBRTQBY-UHFFFAOYSA-N -1 0 306.330 -0.516 20 0 DBADRM COC(=O)c1coc([C@H](C)N2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC001604402858 1018374817 /nfs/dbraw/zinc/37/48/17/1018374817.db2.gz BWBKGQKPNAWFRF-QMMMGPOBSA-N -1 0 311.294 -0.249 20 0 DBADRM COC(=O)c1cn([C@@H]2CCCN(C(=O)[C@H](C)C(=O)[O-])C2)nn1 ZINC001604403196 1018375265 /nfs/dbraw/zinc/37/52/65/1018375265.db2.gz GLFHZORFMGPOPN-DTWKUNHWSA-N -1 0 310.310 -0.051 20 0 DBADRM CCOC1(C)CN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001604405522 1018375545 /nfs/dbraw/zinc/37/55/45/1018375545.db2.gz AOZMJBPATFDJOL-MRVPVSSYSA-N -1 0 306.330 -0.343 20 0 DBADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])n1C)C(=O)N1CCNC1=O ZINC001604411092 1018375651 /nfs/dbraw/zinc/37/56/51/1018375651.db2.gz ZJECWKOYPHMCGB-SSDOTTSWSA-N -1 0 309.278 -0.180 20 0 DBADRM COC(=O)c1cncc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC001604403801 1018375744 /nfs/dbraw/zinc/37/57/44/1018375744.db2.gz VSYSRHRWDJXKNP-JTQLQIEISA-N -1 0 322.273 -0.290 20 0 DBADRM COC(=O)c1cncc(C(=O)Nc2ncn(CC(=O)[O-])n2)c1 ZINC001604402947 1018375857 /nfs/dbraw/zinc/37/58/57/1018375857.db2.gz DUOUGCHUJWLXHP-UHFFFAOYSA-N -1 0 305.250 -0.203 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CC[C@H](OCCN2CCOCC2)C1 ZINC001604421657 1018376687 /nfs/dbraw/zinc/37/66/87/1018376687.db2.gz LLMMFUPMUJNYTL-RYUDHWBXSA-N -1 0 316.354 -0.964 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](C2N=NC(=S)N2C)C1 ZINC001604423337 1018378168 /nfs/dbraw/zinc/37/81/68/1018378168.db2.gz YTUHOVMTIPJAEM-SFYZADRCSA-N -1 0 314.367 -0.091 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001604423161 1018378497 /nfs/dbraw/zinc/37/84/97/1018378497.db2.gz VNKPIJXVMSVZMX-DCAQKATOSA-N -1 0 312.326 -0.568 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CC[C@H](OCCN2CCOCC2)C1 ZINC001604421655 1018378508 /nfs/dbraw/zinc/37/85/08/1018378508.db2.gz LLMMFUPMUJNYTL-NWDGAFQWSA-N -1 0 316.354 -0.964 20 0 DBADRM CCO[N-]C(=O)CNc1ccc(C(=O)OC)nc1-c1nn[nH]n1 ZINC001604437705 1018380103 /nfs/dbraw/zinc/38/01/03/1018380103.db2.gz DXEDZNQJDIIKJW-UHFFFAOYSA-N -1 0 321.297 -0.472 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCC1(O)CCC2(CC1)OCCO2 ZINC001604433101 1018381803 /nfs/dbraw/zinc/38/18/03/1018381803.db2.gz YNGMSBSIFWKYOH-SECBINFHSA-N -1 0 303.311 -0.750 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCCc1nc2c(s1)COCC2 ZINC001604432467 1018382377 /nfs/dbraw/zinc/38/23/77/1018382377.db2.gz QJWKURCMTHYFHT-JTQLQIEISA-N -1 0 300.336 -0.026 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001604437674 1018382438 /nfs/dbraw/zinc/38/24/38/1018382438.db2.gz CKTCEPQQMQZJEE-UHFFFAOYSA-N -1 0 306.286 -0.549 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC001604441512 1018383991 /nfs/dbraw/zinc/38/39/91/1018383991.db2.gz ODRKBHSUSPUOGM-JTQLQIEISA-N -1 0 316.335 -0.025 20 0 DBADRM C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)NCC(=O)[O-] ZINC001604458844 1018384175 /nfs/dbraw/zinc/38/41/75/1018384175.db2.gz JJSSIUZZDCNHIZ-SFYZADRCSA-N -1 0 315.355 -0.467 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2nc(C)cc(=O)[nH]2)CC1 ZINC001604454947 1018384445 /nfs/dbraw/zinc/38/44/45/1018384445.db2.gz JFZKFZGPROROIW-CQSZACIVSA-N -1 0 324.337 -0.371 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001604460189 1018384911 /nfs/dbraw/zinc/38/49/11/1018384911.db2.gz ZZHKJFUGAGBUGK-HQJQHLMTSA-N -1 0 300.340 -0.344 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC001604455047 1018384998 /nfs/dbraw/zinc/38/49/98/1018384998.db2.gz LZRIUBCIBRHDJE-CQSZACIVSA-N -1 0 315.370 -0.901 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCC1(O)CCC2(CC1)OCCO2 ZINC001604454760 1018385150 /nfs/dbraw/zinc/38/51/50/1018385150.db2.gz CESDWQLYUIESSA-GFCCVEGCSA-N -1 0 317.338 -0.360 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001604455040 1018385195 /nfs/dbraw/zinc/38/51/95/1018385195.db2.gz LUIOHKKEBGWBRM-KFWWJZLASA-N -1 0 315.366 -0.150 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001604460089 1018385333 /nfs/dbraw/zinc/38/53/33/1018385333.db2.gz XWNCWDLWGNDSJZ-DJLDLDEBSA-N -1 0 314.367 -0.410 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 ZINC001604464153 1018386736 /nfs/dbraw/zinc/38/67/36/1018386736.db2.gz KXIZASMZTAAREX-CQSZACIVSA-N -1 0 323.305 -0.670 20 0 DBADRM COC1(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])CS(=O)(=O)C1 ZINC001604480197 1018387572 /nfs/dbraw/zinc/38/75/72/1018387572.db2.gz HEBZFNGGDUXOJM-RKDXNWHRSA-N -1 0 305.352 -0.488 20 0 DBADRM C[C@H](c1ccccc1F)[C@H](O)C(=O)NCC(=O)NCC(=O)[O-] ZINC001604470612 1018387679 /nfs/dbraw/zinc/38/76/79/1018387679.db2.gz JFXQGOSPWJGBJP-OQPBUACISA-N -1 0 312.297 -0.393 20 0 DBADRM C[C@]1(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CCCO1 ZINC001604486520 1018389672 /nfs/dbraw/zinc/38/96/72/1018389672.db2.gz XTRAADGDFFMSCK-CABCVRRESA-N -1 0 312.366 -0.057 20 0 DBADRM C[C@]1(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CCOC1 ZINC001604486143 1018390113 /nfs/dbraw/zinc/39/01/13/1018390113.db2.gz SSCNOUHZKSGNPA-GJZGRUSLSA-N -1 0 312.366 -0.199 20 0 DBADRM C[C@@]1(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CCCO1 ZINC001604486522 1018390382 /nfs/dbraw/zinc/39/03/82/1018390382.db2.gz XTRAADGDFFMSCK-GJZGRUSLSA-N -1 0 312.366 -0.057 20 0 DBADRM CO[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001604498413 1018392399 /nfs/dbraw/zinc/39/23/99/1018392399.db2.gz GBFDZQFCJGKHLR-RKDXNWHRSA-N -1 0 310.310 -0.410 20 0 DBADRM COC1(OC)CCN(C(=O)c2cnc(C(=O)[O-])cn2)C[C@@H]1O ZINC001604491648 1018393520 /nfs/dbraw/zinc/39/35/20/1018393520.db2.gz HDYQRMGUSLTELV-JTQLQIEISA-N -1 0 311.294 -0.629 20 0 DBADRM COCC(=O)NC1CCN(C(=O)[C@](C)(OC)C(=O)[O-])CC1 ZINC001604504546 1018394547 /nfs/dbraw/zinc/39/45/47/1018394547.db2.gz CCOTWAJMPPWYQD-ZDUSSCGKSA-N -1 0 302.327 -0.770 20 0 DBADRM COC[C@](C)(O)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001604507838 1018395043 /nfs/dbraw/zinc/39/50/43/1018395043.db2.gz RLGKSVKQMWEWBL-DZRVJSAWSA-N -1 0 301.339 -0.088 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)[C@H]1CCCOC1 ZINC001604516145 1018395127 /nfs/dbraw/zinc/39/51/27/1018395127.db2.gz BZBCTGAVJNLPRB-INTQDDNPSA-N -1 0 300.311 -0.226 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@@H]2CCCO[C@H]21 ZINC001604508381 1018395258 /nfs/dbraw/zinc/39/52/58/1018395258.db2.gz FPMJSZLCNZRGAG-AXTSPUMRSA-N -1 0 316.329 -0.155 20 0 DBADRM CC1(C)C(=O)NCCN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001604506925 1018395332 /nfs/dbraw/zinc/39/53/32/1018395332.db2.gz GAGIWAZERYJBQD-UHFFFAOYSA-N -1 0 306.322 -0.071 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@]2(C)CCCS2(=O)=O)C1 ZINC001604522949 1018396712 /nfs/dbraw/zinc/39/67/12/1018396712.db2.gz IHSLDHCAMPKYAP-QWHCGFSZSA-N -1 0 319.379 -0.097 20 0 DBADRM CC1(C)CCC[C@](NC(=O)c2cn(CC(N)=O)nn2)(C(=O)[O-])C1 ZINC001604530573 1018396893 /nfs/dbraw/zinc/39/68/93/1018396893.db2.gz TZGUVQZPBLNJIH-CQSZACIVSA-N -1 0 323.353 -0.083 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(C)(F)C2)C1 ZINC001604524006 1018396933 /nfs/dbraw/zinc/39/69/33/1018396933.db2.gz ZDIZKJSMCNGQMT-ZDUSSCGKSA-N -1 0 302.302 -0.494 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001604526996 1018397221 /nfs/dbraw/zinc/39/72/21/1018397221.db2.gz SQIPBARHWFPBAG-LLVKDONJSA-N -1 0 308.356 -0.995 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@H](C)N2CCN(C)CC2)C1 ZINC001604523105 1018397252 /nfs/dbraw/zinc/39/72/52/1018397252.db2.gz KQHHITAMRICWEE-SWLSCSKDSA-N -1 0 313.398 -0.428 20 0 DBADRM COC[C@@H](O)c1nnc(N2CC[C@](COC)(C(=O)[O-])C2)n1C ZINC001604524022 1018397285 /nfs/dbraw/zinc/39/72/85/1018397285.db2.gz ZLSKIYRLNLDUET-RNCFNFMXSA-N -1 0 314.342 -0.578 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CSCC(=O)N2)C1 ZINC001604534733 1018397315 /nfs/dbraw/zinc/39/73/15/1018397315.db2.gz YDQLWMUYCXVIMQ-QPUJVOFHSA-N -1 0 302.352 -0.832 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CCN2CCOC2=O)CCO1 ZINC001604551738 1018399092 /nfs/dbraw/zinc/39/90/92/1018399092.db2.gz UGZKGEVFMWRFSF-ZDUSSCGKSA-N -1 0 316.310 -0.843 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CO[C@@H]2CCOC2)CCO1 ZINC001604551002 1018399504 /nfs/dbraw/zinc/39/95/04/1018399504.db2.gz NFLGJPUXYOJWON-MFKMUULPSA-N -1 0 303.311 -0.880 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CCNC(=O)OC)CCO1 ZINC001604551918 1018399552 /nfs/dbraw/zinc/39/95/52/1018399552.db2.gz YJIURYHKSQRVGA-LBPRGKRZSA-N -1 0 304.299 -0.939 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC001604556541 1018399609 /nfs/dbraw/zinc/39/96/09/1018399609.db2.gz ASQGRVMKNRAUQX-AAEUAGOBSA-N -1 0 321.395 -0.387 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CCCC(=O)OC)CCO1 ZINC001604550236 1018399766 /nfs/dbraw/zinc/39/97/66/1018399766.db2.gz GFQQJPUZQHNDSJ-ZDUSSCGKSA-N -1 0 303.311 -0.342 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1=O ZINC001604554582 1018400188 /nfs/dbraw/zinc/40/01/88/1018400188.db2.gz LITBGAXOHFJGSL-KXEKKFMESA-N -1 0 309.322 -0.314 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCc2nocc2C)CCO1 ZINC001604550146 1018400374 /nfs/dbraw/zinc/40/03/74/1018400374.db2.gz IQTBJVQNYIUZBW-ZDUSSCGKSA-N -1 0 313.310 -0.005 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cnn3ccncc23)CCO1 ZINC001604559420 1018401655 /nfs/dbraw/zinc/40/16/55/1018401655.db2.gz XZIOJQREZCSYFM-CQSZACIVSA-N -1 0 320.305 -0.329 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CC[C@H]2CCS(=O)(=O)C2)CCO1 ZINC001604556656 1018402256 /nfs/dbraw/zinc/40/22/56/1018402256.db2.gz BMPISYMQLLGHPC-AAEUAGOBSA-N -1 0 321.395 -0.387 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CC(=O)N2CCO[C@@H](C)C2)CCO1 ZINC001604558566 1018402307 /nfs/dbraw/zinc/40/23/07/1018402307.db2.gz PHWREESFBGEZLC-SMDDNHRTSA-N -1 0 316.354 -0.964 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)O1 ZINC001604560628 1018402355 /nfs/dbraw/zinc/40/23/55/1018402355.db2.gz TZOCMHOTUQCHCT-AEJSXWLSSA-N -1 0 302.327 -0.385 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CC[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC001604556661 1018402659 /nfs/dbraw/zinc/40/26/59/1018402659.db2.gz BMPISYMQLLGHPC-YPMHNXCESA-N -1 0 321.395 -0.387 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(S(=O)(=O)N(C)CC(C)C)CCO1 ZINC001604563905 1018402908 /nfs/dbraw/zinc/40/29/08/1018402908.db2.gz DDUCXWOIGPPFAH-LBPRGKRZSA-N -1 0 324.399 -0.379 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2csc(CO)n2)CCO1 ZINC001604557310 1018403135 /nfs/dbraw/zinc/40/31/35/1018403135.db2.gz GDJYTYJNMLVSTB-GFCCVEGCSA-N -1 0 316.335 -0.422 20 0 DBADRM C[C@@]1(CC(=O)N[C@@H](CC(=O)[O-])C2CC2)CCS(=O)(=O)N1 ZINC001604568308 1018404038 /nfs/dbraw/zinc/40/40/38/1018404038.db2.gz AZHAURGPPMNJFZ-CABZTGNLSA-N -1 0 304.368 -0.172 20 0 DBADRM C[C@@]1(CC(=O)N[C@H](CC(=O)[O-])C2CC2)CCS(=O)(=O)N1 ZINC001604568311 1018404248 /nfs/dbraw/zinc/40/42/48/1018404248.db2.gz AZHAURGPPMNJFZ-SKDRFNHKSA-N -1 0 304.368 -0.172 20 0 DBADRM COC[C@H]1CCCN1NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604566967 1018404287 /nfs/dbraw/zinc/40/42/87/1018404287.db2.gz FOGSXDUYOCTKJR-GHMZBOCLSA-N -1 0 313.354 -0.548 20 0 DBADRM C[C@@]1(CC(=O)N2CCC(C(=O)[O-])CC2)CCS(=O)(=O)N1 ZINC001604569202 1018404368 /nfs/dbraw/zinc/40/43/68/1018404368.db2.gz SIEJWHFZAOVECK-LBPRGKRZSA-N -1 0 304.368 -0.219 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2ccco2)CCO1 ZINC001604565309 1018404547 /nfs/dbraw/zinc/40/45/47/1018404547.db2.gz SVQPCFSICMAACR-NSHDSACASA-N -1 0 305.308 -0.230 20 0 DBADRM COCC1(C2CC2)CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001604567052 1018404907 /nfs/dbraw/zinc/40/49/07/1018404907.db2.gz PTQYEQYWFYPQEX-SNVBAGLBSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@]1(C2CCN(c3cnc(C(=O)[O-])cn3)CC2)NC(=O)NC1=O ZINC001604569147 1018404913 /nfs/dbraw/zinc/40/49/13/1018404913.db2.gz QXVHRNPUEMOBKH-AWEZNQCLSA-N -1 0 319.321 -0.011 20 0 DBADRM COCC1(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CCC1 ZINC001604566789 1018405658 /nfs/dbraw/zinc/40/56/58/1018405658.db2.gz GBCPJRTZTTUKOD-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM CC1(CS(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CCOCC1 ZINC001604583490 1018406714 /nfs/dbraw/zinc/40/67/14/1018406714.db2.gz WTGYRLUZEFOPFX-MNOVXSKESA-N -1 0 321.395 -0.100 20 0 DBADRM CC1(CS(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001604583489 1018406852 /nfs/dbraw/zinc/40/68/52/1018406852.db2.gz WTGYRLUZEFOPFX-GHMZBOCLSA-N -1 0 321.395 -0.100 20 0 DBADRM C[C@]1(CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])CCO[C@H]1C1CC1 ZINC001604574906 1018406903 /nfs/dbraw/zinc/40/69/03/1018406903.db2.gz FLVOQXJMAPZSNG-PKFCDNJMSA-N -1 0 316.329 -0.153 20 0 DBADRM COCCN(C(=O)c1cn(CC(=O)[O-])nn1)C1CCOCC1 ZINC001604583743 1018407649 /nfs/dbraw/zinc/40/76/49/1018407649.db2.gz AXRCXBKLVUZXBX-UHFFFAOYSA-N -1 0 312.326 -0.370 20 0 DBADRM C[C@]1(CCCO)CCCN1C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001604572647 1018407693 /nfs/dbraw/zinc/40/76/93/1018407693.db2.gz LIHLCTWDIDGVLD-UEKVPHQBSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])CCO[C@H]1C1CC1 ZINC001604574904 1018407742 /nfs/dbraw/zinc/40/77/42/1018407742.db2.gz FLVOQXJMAPZSNG-BHDSKKPTSA-N -1 0 316.329 -0.153 20 0 DBADRM CC1(CS(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CCOCC1 ZINC001604583492 1018407930 /nfs/dbraw/zinc/40/79/30/1018407930.db2.gz WTGYRLUZEFOPFX-WDEREUQCSA-N -1 0 321.395 -0.100 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CC[C@@H]1C[C@H](C(=O)OC)CO1 ZINC001604586632 1018409159 /nfs/dbraw/zinc/40/91/59/1018409159.db2.gz URCGGVANIAVLIV-WDEREUQCSA-N -1 0 317.338 -0.096 20 0 DBADRM CC1(Cn2cc(C(=O)N3CCC[C@H](O)[C@H]3C(=O)[O-])nn2)COC1 ZINC001604588294 1018409287 /nfs/dbraw/zinc/40/92/87/1018409287.db2.gz UPWMCBYQYLICTA-QWRGUYRKSA-N -1 0 324.337 -0.635 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC001604596916 1018409783 /nfs/dbraw/zinc/40/97/83/1018409783.db2.gz VUXYDQYQKJBWHD-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001604598108 1018409931 /nfs/dbraw/zinc/40/99/31/1018409931.db2.gz XPXPWLPNZYEAKT-SNVBAGLBSA-N -1 0 307.368 -0.239 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1 ZINC001604593032 1018410008 /nfs/dbraw/zinc/41/00/08/1018410008.db2.gz HZPPXMCXFPBIQW-DTORHVGOSA-N -1 0 309.340 -0.699 20 0 DBADRM COCCN(C[C@@H](O)C(F)(F)F)C(=O)[C@H](OC)C(=O)[O-] ZINC001604597807 1018410108 /nfs/dbraw/zinc/41/01/08/1018410108.db2.gz NEFBIIQXWTVRTN-RQJHMYQMSA-N -1 0 303.233 -0.516 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@H]1CC(c2cnn(C)c2)=NO1 ZINC001604584461 1018410150 /nfs/dbraw/zinc/41/01/50/1018410150.db2.gz QVMXFUCUFYKSOZ-LLVKDONJSA-N -1 0 310.310 -0.527 20 0 DBADRM C[C@]1(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)CCNC1=O ZINC001604596290 1018410235 /nfs/dbraw/zinc/41/02/35/1018410235.db2.gz MSFQCQYMKXYTMK-ZDUSSCGKSA-N -1 0 312.347 -0.129 20 0 DBADRM C[C@]1(NS(=O)(=O)c2csnc2C(=O)[O-])CCOC1=O ZINC001604596615 1018410369 /nfs/dbraw/zinc/41/03/69/1018410369.db2.gz RTWYBQFUQYZWKO-VIFPVBQESA-N -1 0 306.321 -0.175 20 0 DBADRM CC1(Nc2ncc(C(=O)[O-])cn2)CCN(C(=O)C(N)=O)CC1 ZINC001604596114 1018410408 /nfs/dbraw/zinc/41/04/08/1018410408.db2.gz KTZHIQJWLBVVNB-UHFFFAOYSA-N -1 0 307.310 -0.547 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H]1COCCN1CC(F)F ZINC001604586586 1018410522 /nfs/dbraw/zinc/41/05/22/1018410522.db2.gz LZNWCSSMBIXCMF-VIFPVBQESA-N -1 0 310.297 -0.488 20 0 DBADRM C[C@@]1(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)CCNC1=O ZINC001604598265 1018411253 /nfs/dbraw/zinc/41/12/53/1018411253.db2.gz RYUVJSSWJVLKFW-LLVKDONJSA-N -1 0 304.368 -0.171 20 0 DBADRM CC1=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)[C@H](C)n2ncnc2N1C ZINC001604607371 1018411302 /nfs/dbraw/zinc/41/13/02/1018411302.db2.gz MMHWWSJQAFCTLI-XKSSXDPKSA-N -1 0 309.326 -0.487 20 0 DBADRM CC1=C(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])C(=O)OC1(C)C ZINC001604607844 1018411338 /nfs/dbraw/zinc/41/13/38/1018411338.db2.gz OHCJYPRRLUESJV-MRVPVSSYSA-N -1 0 313.306 -0.029 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cnns2)c1=O ZINC001604601521 1018411863 /nfs/dbraw/zinc/41/18/63/1018411863.db2.gz ZRBXJZQZOZDTOX-UHFFFAOYSA-N -1 0 306.311 -0.890 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(COC(=O)CC(C)C)c1=O ZINC001604600631 1018411943 /nfs/dbraw/zinc/41/19/43/1018411943.db2.gz CZDQPPBKZBRZNY-UHFFFAOYSA-N -1 0 322.325 -0.243 20 0 DBADRM CC1=C(C(=O)[O-])C[C@@H](CN(C)Cc2nnc3c(=O)[nH]ccn23)O1 ZINC001604609163 1018412145 /nfs/dbraw/zinc/41/21/45/1018412145.db2.gz WESMWPRIQJPINI-VIFPVBQESA-N -1 0 319.321 -0.003 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1cnc2c(c1)nnn2C ZINC001604604875 1018412186 /nfs/dbraw/zinc/41/21/86/1018412186.db2.gz QRIHLWAACZKUIA-UHFFFAOYSA-N -1 0 307.310 -0.073 20 0 DBADRM COCCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](OC)C(=O)[O-] ZINC001604598226 1018412334 /nfs/dbraw/zinc/41/23/34/1018412334.db2.gz ZPEDIDJWLKHOEG-SNVBAGLBSA-N -1 0 305.327 -0.097 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2CCCCO2)c1=O ZINC001604600615 1018412397 /nfs/dbraw/zinc/41/23/97/1018412397.db2.gz CSXUHIBQVKMRFN-VIFPVBQESA-N -1 0 306.326 -0.221 20 0 DBADRM C[C@]12CN(C(=O)c3ccc(C(=O)[O-])[nH]3)C[C@@]1(C)C(=O)NC2=O ZINC001604605520 1018412482 /nfs/dbraw/zinc/41/24/82/1018412482.db2.gz HHEOOFJQGXXGRB-OKILXGFUSA-N -1 0 305.290 -0.162 20 0 DBADRM C[C@]12COC[C@@H]1CN(C(=O)NCCn1cc(C(=O)[O-])nn1)C2 ZINC001604607481 1018412583 /nfs/dbraw/zinc/41/25/83/1018412583.db2.gz YOPAMKXFIGXWIX-ZANVPECISA-N -1 0 309.326 -0.346 20 0 DBADRM CC1=C(C(=O)N2CC[C@](F)(C(=O)[O-])C2)[C@@H](C)n2nnnc2N1C ZINC001604607948 1018412710 /nfs/dbraw/zinc/41/27/10/1018412710.db2.gz PTSPJOBIEFDZOV-AMIZOPFISA-N -1 0 324.316 -0.017 20 0 DBADRM COCCO[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC001604611539 1018412751 /nfs/dbraw/zinc/41/27/51/1018412751.db2.gz FMOHHIYVIBRCEW-WDEREUQCSA-N -1 0 316.354 -0.571 20 0 DBADRM C[C@@]1(c2cccc(CNC(=O)CC(=O)[O-])c2)NC(=O)NC1=O ZINC001604599883 1018413320 /nfs/dbraw/zinc/41/33/20/1018413320.db2.gz DBAJKJASGFQPHX-AWEZNQCLSA-N -1 0 305.290 -0.168 20 0 DBADRM COCCN1CN(C(=O)C2(CC(=O)[O-])CCOCC2)CC1=O ZINC001604612408 1018414205 /nfs/dbraw/zinc/41/42/05/1018414205.db2.gz GPKRNISRZMFTQY-UHFFFAOYSA-N -1 0 314.338 -0.467 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001604620312 1018414390 /nfs/dbraw/zinc/41/43/90/1018414390.db2.gz MEQGOTFGZCKNSQ-BBBLOLIVSA-N -1 0 311.338 -0.607 20 0 DBADRM COCCN1CN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1=O ZINC001604612633 1018414450 /nfs/dbraw/zinc/41/44/50/1018414450.db2.gz QJHXESODWIQIJM-UHFFFAOYSA-N -1 0 311.298 -0.752 20 0 DBADRM CC1=NO[C@H](CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001604617289 1018414871 /nfs/dbraw/zinc/41/48/71/1018414871.db2.gz CWHSTWIHONVJIT-JTQLQIEISA-N -1 0 305.356 -0.218 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N[C@]2(CC(=O)[O-])CCOC2)C1=O ZINC001604614655 1018415170 /nfs/dbraw/zinc/41/51/70/1018415170.db2.gz OEPZMMSDRPBSRC-HNNXBMFYSA-N -1 0 324.333 -0.168 20 0 DBADRM COCCO[C@]12CCC[C@@]1(NC(=O)[C@@H](OC)C(=O)[O-])CCO2 ZINC001604619083 1018415203 /nfs/dbraw/zinc/41/52/03/1018415203.db2.gz MAILIBQTISMFSC-LERXQTSPSA-N -1 0 317.338 -0.096 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1=O ZINC001604614646 1018415319 /nfs/dbraw/zinc/41/53/19/1018415319.db2.gz OCJWAGGXDZCKHL-NXEZZACHSA-N -1 0 310.306 -0.872 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001604616220 1018415411 /nfs/dbraw/zinc/41/54/11/1018415411.db2.gz LWLHEKUXRFDHDS-ZETCQYMHSA-N -1 0 308.298 -0.248 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001604621219 1018415448 /nfs/dbraw/zinc/41/54/48/1018415448.db2.gz TVCIZVSTUWMMLI-SECBINFHSA-N -1 0 311.338 -0.654 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001604620846 1018415814 /nfs/dbraw/zinc/41/58/14/1018415814.db2.gz CWGZVURCFHABGA-ZETCQYMHSA-N -1 0 323.280 -0.191 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2CCC(O)(C(=O)[O-])CC2)C1=O ZINC001604614517 1018415834 /nfs/dbraw/zinc/41/58/34/1018415834.db2.gz JLXCYUOEBKUGSH-UHFFFAOYSA-N -1 0 324.333 -0.480 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCC[C@](C)(CO)C1 ZINC001604621735 1018417595 /nfs/dbraw/zinc/41/75/95/1018417595.db2.gz BAHKZNGKFNGUND-HFAKWTLXSA-N -1 0 312.366 -0.071 20 0 DBADRM CCn1ncn([N-]C(=O)c2ncc(-c3nn[nH]n3)cc2C)c1=O ZINC001604623416 1018418325 /nfs/dbraw/zinc/41/83/25/1018418325.db2.gz CXBZTDKPFRQNJB-UHFFFAOYSA-N -1 0 315.297 -0.668 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCn2cncc2C1 ZINC001604623530 1018418403 /nfs/dbraw/zinc/41/84/03/1018418403.db2.gz MGACJFGGPDEINQ-MWLCHTKSSA-N -1 0 306.322 -0.453 20 0 DBADRM COCCn1cc(N2C[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC2=O)cn1 ZINC001604629927 1018418590 /nfs/dbraw/zinc/41/85/90/1018418590.db2.gz PWDVPZZKZGYGRU-VHSXEESVSA-N -1 0 324.337 -0.528 20 0 DBADRM CC(C)[C@H](CNC(=O)C1CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001500705373 1018419422 /nfs/dbraw/zinc/41/94/22/1018419422.db2.gz MGNBYVKZIMLMBS-VIFPVBQESA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001604640225 1018419829 /nfs/dbraw/zinc/41/98/29/1018419829.db2.gz VQASOTBNUPRPPG-KYXWUPHJSA-N -1 0 305.352 -0.347 20 0 DBADRM C[C@@H]1CC(=O)NCCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001604647466 1018420663 /nfs/dbraw/zinc/42/06/63/1018420663.db2.gz OVTUJPUHILMDPR-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CC(C)[C@@H](CNC(=O)C1CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001500705372 1018420638 /nfs/dbraw/zinc/42/06/38/1018420638.db2.gz MGNBYVKZIMLMBS-SECBINFHSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1nccn1S(=O)(=O)N(C)C ZINC001604636033 1018421154 /nfs/dbraw/zinc/42/11/54/1018421154.db2.gz FFGJOMWYYDIFEI-NXEZZACHSA-N -1 0 316.383 -0.167 20 0 DBADRM CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCC[C@H]1O ZINC001604642551 1018421222 /nfs/dbraw/zinc/42/12/22/1018421222.db2.gz STFFUMKKEMTMAQ-RKDXNWHRSA-N -1 0 306.330 -0.780 20 0 DBADRM CN(C(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C(C)(C)C ZINC001604640451 1018421250 /nfs/dbraw/zinc/42/12/50/1018421250.db2.gz AOUSCZKCAAXEBL-UHFFFAOYSA-N -1 0 321.341 -0.224 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001604631758 1018421336 /nfs/dbraw/zinc/42/13/36/1018421336.db2.gz AUFCWLLPNVYJRU-VXNVDRBHSA-N -1 0 310.310 -0.510 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(-n2cnnn2)cn1 ZINC001604635224 1018421348 /nfs/dbraw/zinc/42/13/48/1018421348.db2.gz UJHOMZMJSYIOEI-PSASIEDQSA-N -1 0 302.294 -0.008 20 0 DBADRM CN(C(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCSC1 ZINC001604643992 1018421359 /nfs/dbraw/zinc/42/13/59/1018421359.db2.gz XHDKQUWHYMLOGF-MRVPVSSYSA-N -1 0 323.386 -0.395 20 0 DBADRM CON1CCC(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC001604661122 1018422589 /nfs/dbraw/zinc/42/25/89/1018422589.db2.gz AWBALVNYUYZYDD-QMTHXVAHSA-N -1 0 313.354 -0.245 20 0 DBADRM CN(C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)C(C)(C)C(N)=O ZINC001604656941 1018423591 /nfs/dbraw/zinc/42/35/91/1018423591.db2.gz FIXRHOVWVMGZCC-UHFFFAOYSA-N -1 0 304.310 -0.092 20 0 DBADRM CONC(=O)C1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001604661162 1018423817 /nfs/dbraw/zinc/42/38/17/1018423817.db2.gz CHHHHDFVEXEFSI-ZDUSSCGKSA-N -1 0 300.311 -0.464 20 0 DBADRM CON(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001604663579 1018424805 /nfs/dbraw/zinc/42/48/05/1018424805.db2.gz YPRQMBNEVPMSTD-NXEZZACHSA-N -1 0 324.337 -0.543 20 0 DBADRM C[C@H]1C[C@H](N2CCOCC2)CN1Cc1cn(CC(=O)[O-])nn1 ZINC001604671654 1018426045 /nfs/dbraw/zinc/42/60/45/1018426045.db2.gz CIQOZPHTEOYDCE-AAEUAGOBSA-N -1 0 309.370 -0.342 20 0 DBADRM CN(C(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1nnn[n-]1 ZINC001604665231 1018426266 /nfs/dbraw/zinc/42/62/66/1018426266.db2.gz BOISXORRUDJIQH-UHFFFAOYSA-N -1 0 306.677 -0.295 20 0 DBADRM C[C@@H]1CCC[C@@H](Cn2nnnc2N2CCO[C@H](C(=O)[O-])C2)O1 ZINC001604717393 1018432916 /nfs/dbraw/zinc/43/29/16/1018432916.db2.gz UCJUQGPELKGURB-VWYCJHECSA-N -1 0 311.342 -0.080 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC12CCC2 ZINC001500732695 1018432934 /nfs/dbraw/zinc/43/29/34/1018432934.db2.gz MFAMGNZWLYXOKO-BONVTDFDSA-N -1 0 321.381 -0.247 20 0 DBADRM C[C@@H]1CCC[C@H](Cn2nnnc2N2CCO[C@H](C(=O)[O-])C2)O1 ZINC001604717391 1018434357 /nfs/dbraw/zinc/43/43/57/1018434357.db2.gz UCJUQGPELKGURB-MXWKQRLJSA-N -1 0 311.342 -0.080 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)[nH]n1 ZINC001604721478 1018434630 /nfs/dbraw/zinc/43/46/30/1018434630.db2.gz BJTRODCEZSYRDJ-JGVFFNPUSA-N -1 0 310.310 -0.074 20 0 DBADRM COc1cc(OC)cc(C(=O)NCC(=O)N2CC(C(=O)[O-])C2)c1 ZINC001604732493 1018435503 /nfs/dbraw/zinc/43/55/03/1018435503.db2.gz TVHFFCKGFNCREF-UHFFFAOYSA-N -1 0 322.317 -0.023 20 0 DBADRM C[C@@H]1CCCN(C(=O)COC(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001604736133 1018435649 /nfs/dbraw/zinc/43/56/49/1018435649.db2.gz RIDPAIRYJWIPEL-SECBINFHSA-N -1 0 310.310 -0.222 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001604739505 1018435990 /nfs/dbraw/zinc/43/59/90/1018435990.db2.gz BXWCGYSAULVNRG-NXEZZACHSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604739671 1018436043 /nfs/dbraw/zinc/43/60/43/1018436043.db2.gz DIJPNWARFQFZBX-SECBINFHSA-N -1 0 307.372 -0.714 20 0 DBADRM CC1CCN(C(=O)C(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)CC1 ZINC001604742147 1018436055 /nfs/dbraw/zinc/43/60/55/1018436055.db2.gz QBHSEWKNWVPKFU-NSHDSACASA-N -1 0 308.338 -0.080 20 0 DBADRM COc1cc(N)c(C(=O)NCCC(=O)[O-])cc1S(C)(=O)=O ZINC001604722208 1018436185 /nfs/dbraw/zinc/43/61/85/1018436185.db2.gz SUSTVIGTAFDTNI-UHFFFAOYSA-N -1 0 316.335 -0.115 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@@H]1CCO ZINC001604733915 1018436204 /nfs/dbraw/zinc/43/62/04/1018436204.db2.gz JZYGMUKHPHWFAH-KXUCPTDWSA-N -1 0 304.318 -0.465 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604739672 1018436582 /nfs/dbraw/zinc/43/65/82/1018436582.db2.gz DIJPNWARFQFZBX-VIFPVBQESA-N -1 0 307.372 -0.714 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@](C)(C(=O)[O-])C2)[C@H]1CO ZINC001604739851 1018436609 /nfs/dbraw/zinc/43/66/09/1018436609.db2.gz HJWSRYUCVAYDJR-ZETOZRRWSA-N -1 0 312.366 -0.071 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)[nH]n1 ZINC001604722654 1018437352 /nfs/dbraw/zinc/43/73/52/1018437352.db2.gz ZLXJMNIWXFTIEQ-QMMMGPOBSA-N -1 0 310.310 -0.026 20 0 DBADRM C[C@H]1CN(C(=O)CN[C@@](C)(Cn2cccn2)C(=O)[O-])CCO1 ZINC001604768746 1018441442 /nfs/dbraw/zinc/44/14/42/1018441442.db2.gz GWCMEVKVLDQXLG-FZMZJTMJSA-N -1 0 310.354 -0.437 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])C[C@@H](C)C1O ZINC001604768837 1018441936 /nfs/dbraw/zinc/44/19/36/1018441936.db2.gz PMAUTZLMDRLZEF-GMTAPVOTSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1CN(C(=O)CN[C@](C)(Cn2cccn2)C(=O)[O-])CCO1 ZINC001604768745 1018442049 /nfs/dbraw/zinc/44/20/49/1018442049.db2.gz GWCMEVKVLDQXLG-BXUZGUMPSA-N -1 0 310.354 -0.437 20 0 DBADRM C[C@@H]1CCn2cc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])nc2C1 ZINC001604767279 1018442069 /nfs/dbraw/zinc/44/20/69/1018442069.db2.gz SLVZIHDZVLWAAL-KOLCDFICSA-N -1 0 320.349 -0.119 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001604761385 1018442435 /nfs/dbraw/zinc/44/24/35/1018442435.db2.gz VLTRULKNVUAZIB-IMSYWVGJSA-N -1 0 304.368 -0.316 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C[C@@]1(C)CO ZINC001604768958 1018442807 /nfs/dbraw/zinc/44/28/07/1018442807.db2.gz NBLQVGCYIGFJBL-RTHLEPHNSA-N -1 0 324.337 -0.466 20 0 DBADRM C[C@H]1CN(C(=O)CCCn2ccc(C(=O)[O-])n2)C[C@H](CO)O1 ZINC001604770374 1018443902 /nfs/dbraw/zinc/44/39/02/1018443902.db2.gz TYSWJURZOYMPJM-WDEREUQCSA-N -1 0 311.338 -0.030 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@@H](O)CC(=O)[O-])c2ccccc2O1 ZINC001604769196 1018444560 /nfs/dbraw/zinc/44/45/60/1018444560.db2.gz RNDOEFQGAMRGAP-UWVGGRQHSA-N -1 0 322.317 -0.248 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C[C@H]1C ZINC001604770050 1018445199 /nfs/dbraw/zinc/44/51/99/1018445199.db2.gz WQHVYGDPKGVAIL-IQMDTDKHSA-N -1 0 323.349 -0.067 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C[C@@]1(C)CO ZINC001604769668 1018445495 /nfs/dbraw/zinc/44/54/95/1018445495.db2.gz OFWFUONRHFYVPM-HFAKWTLXSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@H](O)CC(=O)[O-])c2ccccc2O1 ZINC001604769197 1018445859 /nfs/dbraw/zinc/44/58/59/1018445859.db2.gz RNDOEFQGAMRGAP-VHSXEESVSA-N -1 0 322.317 -0.248 20 0 DBADRM C[C@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)CCS(=O)(=O)C1 ZINC001604776265 1018447211 /nfs/dbraw/zinc/44/72/11/1018447211.db2.gz LZNYIWWXMSYZPH-VIFPVBQESA-N -1 0 315.351 -0.526 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)C[C@@H](C)S1(=O)=O ZINC001604774679 1018447354 /nfs/dbraw/zinc/44/73/54/1018447354.db2.gz AHOZJEGKLDAYQN-RKDXNWHRSA-N -1 0 315.351 -0.385 20 0 DBADRM C[C@H]1CN(C(=O)c2cccnc2C(N)=O)CCN1CCC(=O)[O-] ZINC001604782409 1018447817 /nfs/dbraw/zinc/44/78/17/1018447817.db2.gz CHAFBNZHQCHZIJ-JTQLQIEISA-N -1 0 320.349 -0.199 20 0 DBADRM C[C@@H]1CN(CCC(=O)N(C)CC(=O)[O-])CCS(=O)(=O)C1 ZINC001604789792 1018450143 /nfs/dbraw/zinc/45/01/43/1018450143.db2.gz YPQZVOULHRKSQS-SNVBAGLBSA-N -1 0 306.384 -0.714 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001604790925 1018451403 /nfs/dbraw/zinc/45/14/03/1018451403.db2.gz ORYZKCGAZHLWFS-NSHDSACASA-N -1 0 320.411 -0.183 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCC[S@](C)=O ZINC001604791565 1018452224 /nfs/dbraw/zinc/45/22/24/1018452224.db2.gz ZAMWWEMCXWMJDW-FIKIJFGZSA-N -1 0 319.427 -0.055 20 0 DBADRM C[C@@H]1CN(CCO)CCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001604797700 1018453132 /nfs/dbraw/zinc/45/31/32/1018453132.db2.gz LOGDOLRIPWQKHJ-SNVBAGLBSA-N -1 0 308.400 -0.575 20 0 DBADRM C[C@H]1CN(CCO)CCN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001604795793 1018453560 /nfs/dbraw/zinc/45/35/60/1018453560.db2.gz FRLUHBKQILXFAO-RWMBFGLXSA-N -1 0 314.382 -0.219 20 0 DBADRM C[C@@H]1CN(CCNC(=O)NCCOCC(=O)[O-])[C@H](C)CO1 ZINC001604797362 1018453899 /nfs/dbraw/zinc/45/38/99/1018453899.db2.gz VSLZYFJEYLSNSK-GHMZBOCLSA-N -1 0 303.359 -0.504 20 0 DBADRM C[C@@H]1CN(CCNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)[C@H](C)CO1 ZINC001604797646 1018453967 /nfs/dbraw/zinc/45/39/67/1018453967.db2.gz YXLPQZIYRLOWJR-KKOKHZNYSA-N -1 0 320.411 -0.122 20 0 DBADRM C[C@H]1CN(CCNS(=O)(=O)CC2(C(=O)[O-])CCC2)CCO1 ZINC001604795629 1018454461 /nfs/dbraw/zinc/45/44/61/1018454461.db2.gz CNKFQHBYVPCBEQ-NSHDSACASA-N -1 0 320.411 -0.119 20 0 DBADRM C[C@@H]1COCC[C@H]1CNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001604820303 1018455962 /nfs/dbraw/zinc/45/59/62/1018455962.db2.gz YICHEJQMKSBESL-ZJUUUORDSA-N -1 0 311.342 -0.052 20 0 DBADRM C[C@@H]1COCC[C@H]1CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604818850 1018456676 /nfs/dbraw/zinc/45/66/76/1018456676.db2.gz LUXXRJRPVOSBFW-MNOVXSKESA-N -1 0 315.370 -0.061 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C[C@@H](CO)O1 ZINC001604807585 1018456691 /nfs/dbraw/zinc/45/66/91/1018456691.db2.gz ALNAMAQNFFJWDM-SCZZXKLOSA-N -1 0 316.335 -0.450 20 0 DBADRM C[C@@H]1COCC[C@@H]1S(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001604820006 1018456705 /nfs/dbraw/zinc/45/67/05/1018456705.db2.gz MRMFUSIGCSBVQU-RCWTZXSCSA-N -1 0 307.368 -0.349 20 0 DBADRM C[C@@H]1OCC[C@@H]1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001604836075 1018457868 /nfs/dbraw/zinc/45/78/68/1018457868.db2.gz VHMRKHNCGPYOGO-SLEUVZQESA-N -1 0 312.366 -0.201 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)NC[C@H](C(=O)[O-])[C@@H]3CCOC3)cc2CN1 ZINC001604828383 1018458125 /nfs/dbraw/zinc/45/81/25/1018458125.db2.gz VCHWZRGGNRVZQN-FOGDFJRCSA-N -1 0 322.365 -0.158 20 0 DBADRM C[C@H]1OCC[C@]12CN(CN1C[C@@H](C(=O)[O-])OC1=O)CCO2 ZINC001604834684 1018458160 /nfs/dbraw/zinc/45/81/60/1018458160.db2.gz LUVWBXLEQBJGQZ-NRUUGDAUSA-N -1 0 300.311 -0.271 20 0 DBADRM C[C@H]1CS(=O)(=O)CCCN1CN1C[C@H](C(=O)[O-])CC1=O ZINC001604823088 1018458186 /nfs/dbraw/zinc/45/81/86/1018458186.db2.gz HYGNDLQQMDYMMO-VHSXEESVSA-N -1 0 304.368 -0.614 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001604827794 1018458258 /nfs/dbraw/zinc/45/82/58/1018458258.db2.gz MTRQDHNYOYWDNA-RRKCRQDMSA-N -1 0 316.339 -0.606 20 0 DBADRM C[C@@H]1NC(=O)N(CC[N@@H+]2CCSC[C@@H]2CC(=O)[O-])C1=O ZINC001604831613 1018458265 /nfs/dbraw/zinc/45/82/65/1018458265.db2.gz HPSMPQHOKHBAQZ-IUCAKERBSA-N -1 0 301.368 -0.181 20 0 DBADRM C[C@@H]1OCC[C@@H]1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001604836073 1018458981 /nfs/dbraw/zinc/45/89/81/1018458981.db2.gz VHMRKHNCGPYOGO-HUBLWGQQSA-N -1 0 312.366 -0.201 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001604833633 1018459260 /nfs/dbraw/zinc/45/92/60/1018459260.db2.gz JQRBQCQJOAFQMI-QPUJVOFHSA-N -1 0 316.335 -0.402 20 0 DBADRM C[C@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1ccnnc1 ZINC001604843209 1018460546 /nfs/dbraw/zinc/46/05/46/1018460546.db2.gz YHDWJMXETIGGNG-PSASIEDQSA-N -1 0 324.362 -0.029 20 0 DBADRM C[C@@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)c1cncnc1 ZINC001604842969 1018461483 /nfs/dbraw/zinc/46/14/83/1018461483.db2.gz WDOKFALSVCZEBI-WPRPVWTQSA-N -1 0 324.362 -0.029 20 0 DBADRM C/C=C/C[C@H]1CCCN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001604852301 1018466598 /nfs/dbraw/zinc/46/65/98/1018466598.db2.gz PFEVOAZQAPQXKH-VUDBWIFFSA-N -1 0 310.350 -0.151 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001604858525 1018469600 /nfs/dbraw/zinc/46/96/00/1018469600.db2.gz CEXXBPVJJVOZGJ-KWQFWETISA-N -1 0 302.327 -0.330 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001604868362 1018471302 /nfs/dbraw/zinc/47/13/02/1018471302.db2.gz IOIFXQISNRPQGO-CIUDSAMLSA-N -1 0 301.295 -0.482 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC001604880739 1018474156 /nfs/dbraw/zinc/47/41/56/1018474156.db2.gz BRFVFQMYWJKTSY-WCBMZHEXSA-N -1 0 314.338 -0.247 20 0 DBADRM CNC(=O)c1cccc(Cn2cncc(-c3nnn[n-]3)c2=O)c1 ZINC001604891213 1018478537 /nfs/dbraw/zinc/47/85/37/1018478537.db2.gz RPRUNNRDCSSFRV-UHFFFAOYSA-N -1 0 311.305 -0.169 20 0 DBADRM COC(=O)[C@@H](C)CN(C)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604903067 1018480815 /nfs/dbraw/zinc/48/08/15/1018480815.db2.gz FHNQFQKLCHMEGN-JGVFFNPUSA-N -1 0 322.329 -0.713 20 0 DBADRM COc1cccnc1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001604898722 1018481008 /nfs/dbraw/zinc/48/10/08/1018481008.db2.gz ICDPISBXVJIWFQ-LLVKDONJSA-N -1 0 323.305 -0.982 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)nc1 ZINC001604900850 1018481811 /nfs/dbraw/zinc/48/18/11/1018481811.db2.gz WVBZZKQZTNLYOO-PSASIEDQSA-N -1 0 322.321 -0.007 20 0 DBADRM COC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604903519 1018481984 /nfs/dbraw/zinc/48/19/84/1018481984.db2.gz ZMGVXKVCQPGLKX-LURJTMIESA-N -1 0 315.311 -0.453 20 0 DBADRM CS(=O)(=O)C1CCC(C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC001604914215 1018483335 /nfs/dbraw/zinc/48/33/35/1018483335.db2.gz OXKMARUWRFDPSY-VQXHTEKXSA-N -1 0 319.379 -0.098 20 0 DBADRM COc1cncnc1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001604907024 1018484020 /nfs/dbraw/zinc/48/40/20/1018484020.db2.gz VRPPLHXJCHMFOP-JGVFFNPUSA-N -1 0 308.294 -0.207 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)Nc1cccnc1C(=O)[O-] ZINC001604920206 1018486728 /nfs/dbraw/zinc/48/67/28/1018486728.db2.gz PENVGYMMKIKVBT-ZETCQYMHSA-N -1 0 317.323 -0.693 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC001604920938 1018487627 /nfs/dbraw/zinc/48/76/27/1018487627.db2.gz HHCJMOUOZCNYGO-CYBMUJFWSA-N -1 0 316.379 -0.195 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN(C)[C@@]1(CO)CCOC1)C(=O)[O-] ZINC001604928405 1018488914 /nfs/dbraw/zinc/48/89/14/1018488914.db2.gz AWGNYHJCROWXTQ-VHRBIJSZSA-N -1 0 302.371 -0.315 20 0 DBADRM CS(=O)(=O)N1CCC(CC(=O)OCC(=O)C(=O)[O-])CC1 ZINC001604921770 1018489685 /nfs/dbraw/zinc/48/96/85/1018489685.db2.gz XCGHVQOOHZOIQR-UHFFFAOYSA-N -1 0 307.324 -0.755 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CC[C@@]2(CNC(=O)C2)C1)C(=O)[O-] ZINC001604929690 1018490413 /nfs/dbraw/zinc/49/04/13/1018490413.db2.gz YBGHELSIEGISMU-VZJVUDMVSA-N -1 0 311.382 -0.186 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)nn1 ZINC001604939408 1018492564 /nfs/dbraw/zinc/49/25/64/1018492564.db2.gz SJTBBNSDBNIJJU-KNVOCYPGSA-N -1 0 314.323 -0.135 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)Cn1cc(S(C)(=O)=O)cn1)C(=O)[O-] ZINC001604937316 1018492970 /nfs/dbraw/zinc/49/29/70/1018492970.db2.gz RKSGIAYTGDRHFO-LDYMZIIASA-N -1 0 317.367 -0.098 20 0 DBADRM CS(=O)(=O)c1ccnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC001604942835 1018494860 /nfs/dbraw/zinc/49/48/60/1018494860.db2.gz CRVAZVNHVHLMJT-PRHODGIISA-N -1 0 313.335 -0.583 20 0 DBADRM CC[C@H](C)[C@@H](OC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001604945846 1018495245 /nfs/dbraw/zinc/49/52/45/1018495245.db2.gz MUFZINJOPMBTRC-GXSJLCMTSA-N -1 0 307.368 -0.241 20 0 DBADRM CC[C@@H](C)[C@@H](OC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001604945848 1018495869 /nfs/dbraw/zinc/49/58/69/1018495869.db2.gz MUFZINJOPMBTRC-MWLCHTKSSA-N -1 0 307.368 -0.241 20 0 DBADRM C[S@@](=O)C1(CNC(=O)c2cccn(CC(=O)[O-])c2=O)CC1 ZINC001604942916 1018497206 /nfs/dbraw/zinc/49/72/06/1018497206.db2.gz DQMAKZJGIZRYLP-OAQYLSRUSA-N -1 0 312.347 -0.426 20 0 DBADRM CC[C@H](C)[C@H](OC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001604945849 1018497324 /nfs/dbraw/zinc/49/73/24/1018497324.db2.gz MUFZINJOPMBTRC-ONGXEEELSA-N -1 0 307.368 -0.241 20 0 DBADRM CSc1nc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc(=O)[nH]1 ZINC001604971226 1018499221 /nfs/dbraw/zinc/49/92/21/1018499221.db2.gz PDQQQENZMAHEMW-ZETCQYMHSA-N -1 0 312.307 -0.250 20 0 DBADRM C[C@@H](CN(C)C)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001604979220 1018501011 /nfs/dbraw/zinc/50/10/11/1018501011.db2.gz SLWYDOZHRBZIGU-VIFPVBQESA-N -1 0 306.384 -0.668 20 0 DBADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)c1ncc[nH]1 ZINC001604982877 1018501344 /nfs/dbraw/zinc/50/13/44/1018501344.db2.gz HZYILGOMQDBFSY-MRVPVSSYSA-N -1 0 315.351 -0.134 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001604999267 1018503748 /nfs/dbraw/zinc/50/37/48/1018503748.db2.gz CYQCRDAEXSYYTP-WCBMZHEXSA-N -1 0 321.341 -0.814 20 0 DBADRM CO[C@H](C)C(=O)NCCN(C)c1nc(C)cc(-c2nn[nH]n2)n1 ZINC001604999180 1018503911 /nfs/dbraw/zinc/50/39/11/1018503911.db2.gz AEFKMMNYOUTQCO-SECBINFHSA-N -1 0 320.357 -0.448 20 0 DBADRM CSc1nc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n[nH]1 ZINC001604979222 1018503946 /nfs/dbraw/zinc/50/39/46/1018503946.db2.gz SPPOYQPUKXTGDG-LURJTMIESA-N -1 0 313.339 -0.212 20 0 DBADRM C[C@@H](NC(=O)C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F)C(=O)[O-] ZINC001604983240 1018504242 /nfs/dbraw/zinc/50/42/42/1018504242.db2.gz QZCNXGLXAUNDNZ-VDTYLAMSSA-N -1 0 322.243 -0.271 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H](C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001605000254 1018507297 /nfs/dbraw/zinc/50/72/97/1018507297.db2.gz VJLQTJMPIMAPDG-IUCAKERBSA-N -1 0 320.357 -0.580 20 0 DBADRM CC[C@@H](CN1CCOCC1)NC(=O)NCCOCC(=O)[O-] ZINC001605025110 1018508983 /nfs/dbraw/zinc/50/89/83/1018508983.db2.gz QEYFJDMACMWTLT-NSHDSACASA-N -1 0 303.359 -0.502 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC001605020612 1018509336 /nfs/dbraw/zinc/50/93/36/1018509336.db2.gz IRMHMOSXHXLGJI-LITPITGPSA-N -1 0 302.396 -0.380 20 0 DBADRM CO[C@@H]1CC[C@@H](NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001605029490 1018509561 /nfs/dbraw/zinc/50/95/61/1018509561.db2.gz MDBQEPNYRSOASQ-DJLDLDEBSA-N -1 0 306.330 -0.297 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)Nc1c(C)ccn(C)c1=O)C(=O)[O-] ZINC001605022999 1018509927 /nfs/dbraw/zinc/50/99/27/1018509927.db2.gz GDRUYZRFHNNHSH-VIFPVBQESA-N -1 0 309.322 -0.141 20 0 DBADRM CO[C@@H]1CCCC[C@H]1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001605029086 1018509990 /nfs/dbraw/zinc/50/99/90/1018509990.db2.gz BCLNXFCTRVMIQM-NXEZZACHSA-N -1 0 320.357 -0.220 20 0 DBADRM CC[C@H](CNC(=O)C(C)(C)C(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001605023996 1018510437 /nfs/dbraw/zinc/51/04/37/1018510437.db2.gz RKRJGYQZMNDMBA-MRVPVSSYSA-N -1 0 323.353 -0.585 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC001605018519 1018510782 /nfs/dbraw/zinc/51/07/82/1018510782.db2.gz LOXOBLBIMIHLLU-PELKAZGASA-N -1 0 304.368 -0.363 20 0 DBADRM CC[C@H](CNC(=O)Cc1nc[nH]n1)Nc1ncc(C(=O)[O-])cn1 ZINC001605033302 1018510871 /nfs/dbraw/zinc/51/08/71/1018510871.db2.gz RXAPMDIWVRBQRX-SECBINFHSA-N -1 0 319.325 -0.158 20 0 DBADRM CC[C@@H](CN1CCOCC1)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001605024001 1018510968 /nfs/dbraw/zinc/51/09/68/1018510968.db2.gz DBYDNAAQVGAKSB-NSHDSACASA-N -1 0 310.354 -0.192 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCCn1c(=O)ccn(C)c1=O ZINC001605035014 1018511762 /nfs/dbraw/zinc/51/17/62/1018511762.db2.gz SWWKIIDCVVQCTJ-OTYXRUKQSA-N -1 0 309.322 -0.836 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCn1cnc2c1ncnc2N ZINC001605034863 1018512913 /nfs/dbraw/zinc/51/29/13/1018512913.db2.gz LGOFRSPLRLVTHI-UHLUBPPHSA-N -1 0 304.310 -0.365 20 0 DBADRM CC[C@H](CO)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001605046124 1018518246 /nfs/dbraw/zinc/51/82/46/1018518246.db2.gz LEENINZZCHAICH-MRVPVSSYSA-N -1 0 312.326 -0.472 20 0 DBADRM COCC1=CCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001605068292 1018521543 /nfs/dbraw/zinc/52/15/43/1018521543.db2.gz RXAURKLUJGIPSS-SECBINFHSA-N -1 0 318.341 -0.176 20 0 DBADRM COC[C@H]1CCCCN1c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001605072852 1018522169 /nfs/dbraw/zinc/52/21/69/1018522169.db2.gz QNSCVAJWSQZJPQ-MRVPVSSYSA-N -1 0 321.341 -0.741 20 0 DBADRM CC[C@](NC(=O)Cn1nnc(N)n1)(C(=O)[O-])c1ccccc1 ZINC001605085239 1018522775 /nfs/dbraw/zinc/52/27/75/1018522775.db2.gz OIGCNRSMTVIFDG-CYBMUJFWSA-N -1 0 304.310 -0.238 20 0 DBADRM COCCCCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001605087888 1018524350 /nfs/dbraw/zinc/52/43/50/1018524350.db2.gz BYJNKERBFDJWIR-UHFFFAOYSA-N -1 0 309.334 -0.816 20 0 DBADRM COCC[C@H](C)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001605078261 1018524776 /nfs/dbraw/zinc/52/47/76/1018524776.db2.gz CXYFDIHPGMYGLM-IUCAKERBSA-N -1 0 308.346 -0.192 20 0 DBADRM Cc1cc(C(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(C)[nH]1 ZINC001605102398 1018527447 /nfs/dbraw/zinc/52/74/47/1018527447.db2.gz ZLNFVLQGOJDXQO-NSHDSACASA-N -1 0 314.363 -0.002 20 0 DBADRM COCCN(CCOC)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001605101176 1018527865 /nfs/dbraw/zinc/52/78/65/1018527865.db2.gz NSOYYXTUUIWPGY-VIFPVBQESA-N -1 0 324.345 -0.859 20 0 DBADRM COCCN(Cn1cccc(-c2nnn[n-]2)c1=O)[C@@H]1CCOC1 ZINC001605102945 1018528689 /nfs/dbraw/zinc/52/86/89/1018528689.db2.gz GWVBHEZTNDLRNB-LLVKDONJSA-N -1 0 320.353 -0.277 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605090443 1018529784 /nfs/dbraw/zinc/52/97/84/1018529784.db2.gz ZCKXMLWQDFABOV-AEJSXWLSSA-N -1 0 300.311 -0.767 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)nn1 ZINC001605115060 1018531251 /nfs/dbraw/zinc/53/12/51/1018531251.db2.gz XGNXDLPKPXTIBZ-ZANVPECISA-N -1 0 312.326 -0.587 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)nn1 ZINC001605113889 1018531526 /nfs/dbraw/zinc/53/15/26/1018531526.db2.gz MDAKUIRFSWJKTR-BXKDBHETSA-N -1 0 319.321 0.000 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1C ZINC001605114161 1018533174 /nfs/dbraw/zinc/53/31/74/1018533174.db2.gz ZSYJNALZLRDVFP-UHFFFAOYSA-N -1 0 320.309 -0.192 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)nn1 ZINC001605113892 1018533604 /nfs/dbraw/zinc/53/36/04/1018533604.db2.gz MDAKUIRFSWJKTR-SKDRFNHKSA-N -1 0 319.321 0.000 20 0 DBADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCN(C(=O)CO)CC2)c1 ZINC001605132407 1018535147 /nfs/dbraw/zinc/53/51/47/1018535147.db2.gz KXXRMXFVFAVPRZ-UHFFFAOYSA-N -1 0 306.318 -0.030 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)N[C@](C)(CO)C(=O)[O-])C1=O ZINC001605139781 1018535397 /nfs/dbraw/zinc/53/53/97/1018535397.db2.gz BIXJKZPWWQDBKQ-GFCCVEGCSA-N -1 0 315.326 -0.951 20 0 DBADRM CON(C(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C(C)C ZINC001605139809 1018535548 /nfs/dbraw/zinc/53/55/48/1018535548.db2.gz OEQQNYPWAJWWJB-UHFFFAOYSA-N -1 0 323.313 -0.683 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)Nc2nn(C)cc2C(=O)[O-])C1=O ZINC001605136370 1018536117 /nfs/dbraw/zinc/53/61/17/1018536117.db2.gz YQFQEEMTEBFNGB-ZDUSSCGKSA-N -1 0 323.309 -0.223 20 0 DBADRM COC[C@H]1C[C@@H](NS(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001605129710 1018537639 /nfs/dbraw/zinc/53/76/39/1018537639.db2.gz SEYCVGVUXZPDNO-DTORHVGOSA-N -1 0 324.366 -0.035 20 0 DBADRM CC[C@H]1C(=O)N(CC)CCN1S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001605151763 1018540352 /nfs/dbraw/zinc/54/03/52/1018540352.db2.gz WLFVLAGDYNSFGZ-UWVGGRQHSA-N -1 0 306.384 -0.020 20 0 DBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605150850 1018540639 /nfs/dbraw/zinc/54/06/39/1018540639.db2.gz CEGIUOSGMCWPIA-HTRCEHHLSA-N -1 0 315.311 -0.848 20 0 DBADRM CCCC(=O)N1CCC[C@H]1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001605188380 1018541291 /nfs/dbraw/zinc/54/12/91/1018541291.db2.gz ORNIHJAYGSLRBD-NSHDSACASA-N -1 0 323.353 -0.116 20 0 DBADRM Cc1cc(CN(C)C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)no1 ZINC001605165551 1018542092 /nfs/dbraw/zinc/54/20/92/1018542092.db2.gz MZXLNQMRVFUCKL-SNVBAGLBSA-N -1 0 311.294 -0.747 20 0 DBADRM CCCC(=O)N1CCC[C@H](C(=O)NC[C@@H](O)CC(=O)[O-])C1 ZINC001605188188 1018543043 /nfs/dbraw/zinc/54/30/43/1018543043.db2.gz LNLLSNQSEVIFRF-QWRGUYRKSA-N -1 0 300.355 -0.023 20 0 DBADRM CCCC(=O)N1CCC[C@@H](C(=O)NC[C@H](O)CC(=O)[O-])C1 ZINC001605188185 1018543503 /nfs/dbraw/zinc/54/35/03/1018543503.db2.gz LNLLSNQSEVIFRF-GHMZBOCLSA-N -1 0 300.355 -0.023 20 0 DBADRM Cc1cc(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)no1 ZINC001605173048 1018544314 /nfs/dbraw/zinc/54/43/14/1018544314.db2.gz RBDHOJCMYMWFHD-UHFFFAOYSA-N -1 0 316.335 -0.121 20 0 DBADRM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC001605183682 1018544333 /nfs/dbraw/zinc/54/43/33/1018544333.db2.gz ZHCSOGNMAZLRCS-QPGUZKIZSA-N -1 0 316.379 -0.194 20 0 DBADRM CCC[C@@H](C(=O)NCc1ccc(C(=O)[O-])cn1)S(N)(=O)=O ZINC001605193350 1018546089 /nfs/dbraw/zinc/54/60/89/1018546089.db2.gz UQCVPDMEPDWWHX-JTQLQIEISA-N -1 0 315.351 -0.147 20 0 DBADRM CCC[C@@](C)(NS(=O)(=O)C[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC001605199475 1018546287 /nfs/dbraw/zinc/54/62/87/1018546287.db2.gz ROMCKHIRUBCNRB-CMPLNLGQSA-N -1 0 308.400 -0.120 20 0 DBADRM CCC[C@](C)(CO)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001605198339 1018546559 /nfs/dbraw/zinc/54/65/59/1018546559.db2.gz QOXQQAFNTNPHFE-CYBMUJFWSA-N -1 0 303.359 -0.182 20 0 DBADRM CCC[C@H](C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)S(N)(=O)=O ZINC001605192170 1018547513 /nfs/dbraw/zinc/54/75/13/1018547513.db2.gz KPAHEPINOGBZIG-HRDYMLBCSA-N -1 0 308.356 -0.856 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCCC(=O)[O-])c(N(C)C)nn1 ZINC001605192740 1018547750 /nfs/dbraw/zinc/54/77/50/1018547750.db2.gz SOTOGZOVVBYPFD-UHFFFAOYSA-N -1 0 309.326 -0.229 20 0 DBADRM CCC[C@@H](C(=O)N1CCOC[C@H]1CC(=O)[O-])S(N)(=O)=O ZINC001605191602 1018548389 /nfs/dbraw/zinc/54/83/89/1018548389.db2.gz CAMKUIWMNUZCPW-BDAKNGLRSA-N -1 0 308.356 -0.854 20 0 DBADRM CCCC[C@@H](C(=O)[O-])S(=O)(=O)[C@H](C)C(=O)NC(=O)NC ZINC001605236250 1018549386 /nfs/dbraw/zinc/54/93/86/1018549386.db2.gz XRYOLLWDHUGFPT-SFYZADRCSA-N -1 0 308.356 -0.111 20 0 DBADRM CCCC[C@H](OC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)[O-] ZINC001605248365 1018550455 /nfs/dbraw/zinc/55/04/55/1018550455.db2.gz ZZQJFHMAFBFZMB-VIFPVBQESA-N -1 0 310.372 -0.089 20 0 DBADRM CCCC[C@@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001605247578 1018550849 /nfs/dbraw/zinc/55/08/49/1018550849.db2.gz KXBNAKBYVLREOD-SECBINFHSA-N -1 0 319.339 -0.283 20 0 DBADRM CCCCn1nnnc1CN1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001605295834 1018552577 /nfs/dbraw/zinc/55/25/77/1018552577.db2.gz HAIKAZCHOQQMSK-UWVGGRQHSA-N -1 0 311.342 -0.221 20 0 DBADRM Cc1ccc(Cn2nnnc2N2CC[C@H](C(=O)[O-])C2)c(=O)n1C ZINC001605282072 1018553240 /nfs/dbraw/zinc/55/32/40/1018553240.db2.gz GVCWFZNOEKHISS-NSHDSACASA-N -1 0 318.337 -0.361 20 0 DBADRM CCCCCOC1CN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001605271812 1018553604 /nfs/dbraw/zinc/55/36/04/1018553604.db2.gz KCHNVVVZSIHNQU-JTQLQIEISA-N -1 0 304.318 -0.057 20 0 DBADRM CCCCN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001605276389 1018555440 /nfs/dbraw/zinc/55/54/40/1018555440.db2.gz IJTVLAGVQHXMCH-UHFFFAOYSA-N -1 0 304.328 -0.616 20 0 DBADRM Cc1ccc(Cn2nnnc2N2CC[C@@H](C(=O)[O-])C2)c(=O)n1C ZINC001605282056 1018556257 /nfs/dbraw/zinc/55/62/57/1018556257.db2.gz GVCWFZNOEKHISS-LLVKDONJSA-N -1 0 318.337 -0.361 20 0 DBADRM CCCNC(=O)[C@@H](C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001605326213 1018557160 /nfs/dbraw/zinc/55/71/60/1018557160.db2.gz OMEWYJSCTYDMDN-NXEZZACHSA-N -1 0 313.354 -0.660 20 0 DBADRM CCCN(CCC)S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001605315971 1018557270 /nfs/dbraw/zinc/55/72/70/1018557270.db2.gz NMGSQIBGCDOCCA-UWVGGRQHSA-N -1 0 323.415 -0.079 20 0 DBADRM CCCNC(=O)NC(=O)CN1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001605331077 1018557377 /nfs/dbraw/zinc/55/73/77/1018557377.db2.gz GYJOYKFGUHNLEL-UHFFFAOYSA-N -1 0 309.326 -0.298 20 0 DBADRM COc1ccncc1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001605338440 1018558193 /nfs/dbraw/zinc/55/81/93/1018558193.db2.gz QOVLKTXBURECPT-UHFFFAOYSA-N -1 0 315.297 -0.822 20 0 DBADRM CCCN1C[C@@H](C(=O)N[C@@H](CC(=O)OC)C(=O)[O-])CC1=O ZINC001605323261 1018558255 /nfs/dbraw/zinc/55/82/55/1018558255.db2.gz ZUKGVMPMEMJESM-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM CCCS(=O)(=O)CC(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001605345604 1018559034 /nfs/dbraw/zinc/55/90/34/1018559034.db2.gz IQCYLTMHGNOHRN-SECBINFHSA-N -1 0 321.351 -0.570 20 0 DBADRM CCCNC(=O)CCC(=O)N[C@H](CCC(=O)[O-])C(=O)OC ZINC001605327619 1018559099 /nfs/dbraw/zinc/55/90/99/1018559099.db2.gz YXDYQSBQCWNZLO-SECBINFHSA-N -1 0 302.327 -0.185 20 0 DBADRM CCCN1C[C@H](C(=O)N[C@H](CC(=O)OC)C(=O)[O-])CC1=O ZINC001605323262 1018559254 /nfs/dbraw/zinc/55/92/54/1018559254.db2.gz ZUKGVMPMEMJESM-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM CCCN(CCNC(=O)c1nnc[n-]1)c1cc[nH+]c(C(=O)[O-])n1 ZINC001605316515 1018559451 /nfs/dbraw/zinc/55/94/51/1018559451.db2.gz WQZAEYKPGRXCIB-UHFFFAOYSA-N -1 0 319.325 -0.061 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001605353813 1018560285 /nfs/dbraw/zinc/56/02/85/1018560285.db2.gz GBHIEXAPTIVQLP-HRDYMLBCSA-N -1 0 315.326 -0.844 20 0 DBADRM CCC[C@@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001605353869 1018560714 /nfs/dbraw/zinc/56/07/14/1018560714.db2.gz IBGKBZMYLWWERG-JGVFFNPUSA-N -1 0 311.298 -0.630 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001605354073 1018561142 /nfs/dbraw/zinc/56/11/42/1018561142.db2.gz PEKIUHQRSUMTBY-SFYZADRCSA-N -1 0 303.315 -0.844 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001605353115 1018563491 /nfs/dbraw/zinc/56/34/91/1018563491.db2.gz ZPADLVIUUIDIRX-RKDXNWHRSA-N -1 0 323.382 -0.154 20 0 DBADRM CCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)[nH]n1)C(=O)[O-] ZINC001605354797 1018564575 /nfs/dbraw/zinc/56/45/75/1018564575.db2.gz SVBQYPHCALODBS-ZCFIWIBFSA-N -1 0 305.312 -0.272 20 0 DBADRM Cc1ccnc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC001605359608 1018565067 /nfs/dbraw/zinc/56/50/67/1018565067.db2.gz IZBINIRDNXOJMI-VIFPVBQESA-N -1 0 300.340 -0.332 20 0 DBADRM CS(=O)(=O)NCCOC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605359219 1018565462 /nfs/dbraw/zinc/56/54/62/1018565462.db2.gz ISISIYUBQWGSCX-UHFFFAOYSA-N -1 0 301.284 -0.834 20 0 DBADRM CS(=O)(=O)[N-]C(=O)C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001605357642 1018567083 /nfs/dbraw/zinc/56/70/83/1018567083.db2.gz SMHALVDVDJWNSO-UHFFFAOYSA-N -1 0 307.335 -0.026 20 0 DBADRM Cc1nc(SCC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n[nH]1 ZINC001605388610 1018571562 /nfs/dbraw/zinc/57/15/62/1018571562.db2.gz XBHWLVMHIQUJKB-UFBFGSQYSA-N -1 0 312.351 -0.235 20 0 DBADRM Cc1cnn(Cc2cn([C@@H]3CCN(CC(=O)[O-])C3=O)nn2)c1 ZINC001605382076 1018572492 /nfs/dbraw/zinc/57/24/92/1018572492.db2.gz UNEGLXNJEQXMDP-LLVKDONJSA-N -1 0 304.310 -0.311 20 0 DBADRM CCN(C(=O)CN1CCS(=O)(=O)CC1)C(C)(C)C(=O)[O-] ZINC001605396101 1018572705 /nfs/dbraw/zinc/57/27/05/1018572705.db2.gz OPCURYDBRIIVFZ-UHFFFAOYSA-N -1 0 306.384 -0.572 20 0 DBADRM CCN(C(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-])[C@@H]1CCNC1=O ZINC001605391215 1018573098 /nfs/dbraw/zinc/57/30/98/1018573098.db2.gz KYVMNOHSDTXYQA-SECBINFHSA-N -1 0 322.321 -0.303 20 0 DBADRM Cc1n[nH]c(C)c1CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001605388010 1018573170 /nfs/dbraw/zinc/57/31/70/1018573170.db2.gz ADXYMXIAUPLDBC-JTQLQIEISA-N -1 0 308.338 -0.034 20 0 DBADRM CCN(C)C(=O)[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C(C)C ZINC001605406711 1018574680 /nfs/dbraw/zinc/57/46/80/1018574680.db2.gz FPXIGGWLMNFJTQ-NSHDSACASA-N -1 0 311.342 -0.405 20 0 DBADRM Cc1nnc(C2CN(C(=O)[C@H]3CCCN(CC(=O)[O-])C3=O)C2)[nH]1 ZINC001605402773 1018576052 /nfs/dbraw/zinc/57/60/52/1018576052.db2.gz HQFXQRXRWUTTTR-JTQLQIEISA-N -1 0 321.337 -0.638 20 0 DBADRM CCN([C@H]1CCNC1=O)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001605411318 1018576964 /nfs/dbraw/zinc/57/69/64/1018576964.db2.gz DROOWFVIKJDSFJ-QMMMGPOBSA-N -1 0 313.335 -0.321 20 0 DBADRM Cc1ncc(CS(=O)(=O)CCS(=O)(=O)CC(=O)[O-])cn1 ZINC001605421079 1018577786 /nfs/dbraw/zinc/57/77/86/1018577786.db2.gz PMUGEONBCYBXCP-UHFFFAOYSA-N -1 0 322.364 -0.801 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC/C=C/CNc1ccnc(-c2nnn[n-]2)n1 ZINC001605426228 1018577666 /nfs/dbraw/zinc/57/76/66/1018577666.db2.gz AKZVCFCQHSYDAM-HLKOZVMDSA-N -1 0 314.353 -0.181 20 0 DBADRM CCN(CC)C(=O)CNC(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001605423197 1018578048 /nfs/dbraw/zinc/57/80/48/1018578048.db2.gz RXFYKAURPMZBAZ-ONGXEEELSA-N -1 0 301.343 -0.356 20 0 DBADRM Cc1ncc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1C(N)=O ZINC001605420309 1018578288 /nfs/dbraw/zinc/57/82/88/1018578288.db2.gz FHAGQPNJACUUOW-CYBMUJFWSA-N -1 0 308.294 -0.146 20 0 DBADRM Cc1nn(CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c(=O)o1 ZINC001605439919 1018581428 /nfs/dbraw/zinc/58/14/28/1018581428.db2.gz HFMXIFRUZGKENO-LLVKDONJSA-N -1 0 305.290 -0.043 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O)CC2 ZINC001605444834 1018585381 /nfs/dbraw/zinc/58/53/81/1018585381.db2.gz YAQSYJDTKGEBTI-VHSXEESVSA-N -1 0 322.321 -0.622 20 0 DBADRM Cc1nncn1CCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001605444652 1018585458 /nfs/dbraw/zinc/58/54/58/1018585458.db2.gz NOFUEGTVRXBCSD-UHFFFAOYSA-N -1 0 305.294 -0.737 20 0 DBADRM CCN(CCC(=O)[O-])Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC001605444422 1018586227 /nfs/dbraw/zinc/58/62/27/1018586227.db2.gz LEDJLMPJNOTEOD-UHFFFAOYSA-N -1 0 309.326 -0.743 20 0 DBADRM CCN(CCO)C(=O)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC001605448262 1018586638 /nfs/dbraw/zinc/58/66/38/1018586638.db2.gz YIRUXZOVRFOWQF-UHFFFAOYSA-N -1 0 324.333 -0.150 20 0 DBADRM CCN(CCNC(=O)CN(C)C(C)=O)c1ncc(C(=O)[O-])cn1 ZINC001605449054 1018589831 /nfs/dbraw/zinc/58/98/31/1018589831.db2.gz MGTCILUEOCOAEF-UHFFFAOYSA-N -1 0 323.353 -0.404 20 0 DBADRM Cc1nocc1S(=O)(=O)NCCOCCOCC(=O)[O-] ZINC001605455343 1018590057 /nfs/dbraw/zinc/59/00/57/1018590057.db2.gz KZMBOIYYOPEFCM-UHFFFAOYSA-N -1 0 308.312 -0.621 20 0 DBADRM CCN(CCNC(=O)[C@@H](C)CC(N)=O)c1ncc(C(=O)[O-])cn1 ZINC001605449919 1018590746 /nfs/dbraw/zinc/59/07/46/1018590746.db2.gz ZTVWZMOCFIHCDM-VIFPVBQESA-N -1 0 323.353 -0.371 20 0 DBADRM CCN(CCNC(=O)C1(C(N)=O)CC1)c1ccnc(C(=O)[O-])n1 ZINC001605449089 1018591025 /nfs/dbraw/zinc/59/10/25/1018591025.db2.gz NYXAKUXERKOWGI-UHFFFAOYSA-N -1 0 321.337 -0.617 20 0 DBADRM CCN1C(=O)N[C@H](c2cn(CC(=O)OC)nn2)C(C(=O)[O-])=C1C ZINC001605466656 1018592982 /nfs/dbraw/zinc/59/29/82/1018592982.db2.gz YJJFGWSNTGOOMN-LLVKDONJSA-N -1 0 323.309 -0.104 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(C[C@@H]2CCCCO2)c(=O)n1C ZINC001605463479 1018593248 /nfs/dbraw/zinc/59/32/48/1018593248.db2.gz XSXYDUKOVLGABZ-VIFPVBQESA-N -1 0 306.326 -0.395 20 0 DBADRM Cn1c(CO)nn(CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1=S ZINC001605466279 1018594345 /nfs/dbraw/zinc/59/43/45/1018594345.db2.gz GSHGHGIFZFFQAK-PRHODGIISA-N -1 0 314.367 -0.566 20 0 DBADRM CCN1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cn2C)CC1=O ZINC001605469840 1018594522 /nfs/dbraw/zinc/59/45/22/1018594522.db2.gz NJJRCOJIQGGPIM-VIFPVBQESA-N -1 0 315.351 -0.378 20 0 DBADRM Cn1c(=O)cc(N2CC[C@@H](NC(=O)CCC(=O)[O-])C2)[nH]c1=O ZINC001605467219 1018594821 /nfs/dbraw/zinc/59/48/21/1018594821.db2.gz GRAVZUCKONCGQA-MRVPVSSYSA-N -1 0 310.310 -0.954 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1=O ZINC001605470270 1018595167 /nfs/dbraw/zinc/59/51/67/1018595167.db2.gz ADDLIXKUMOJDEH-WCABBAIRSA-N -1 0 320.367 -0.984 20 0 DBADRM Cn1c(SCC(=O)C(=O)[O-])nnc1[C@@H]1CCS(=O)(=O)C1 ZINC001605473540 1018596729 /nfs/dbraw/zinc/59/67/29/1018596729.db2.gz WZZUNQDMSMENFH-ZCFIWIBFSA-N -1 0 319.364 -0.537 20 0 DBADRM CCN1CCN(C(=O)C(=O)Nc2nn(C)cc2C(=O)[O-])C[C@@H]1C ZINC001605479717 1018596741 /nfs/dbraw/zinc/59/67/41/1018596741.db2.gz GKAJDPSTHOCFLW-VIFPVBQESA-N -1 0 323.353 -0.391 20 0 DBADRM CCN1CCC[C@@H](NC(=O)NCCn2cc(C(=O)[O-])nn2)C1=O ZINC001605474289 1018596833 /nfs/dbraw/zinc/59/68/33/1018596833.db2.gz DLNODLGQOCISCJ-SECBINFHSA-N -1 0 324.341 -0.714 20 0 DBADRM CN1C(=S)N=NC1[C@H]1CCCN(C(=O)COCC(=O)[O-])C1 ZINC001605473323 1018597842 /nfs/dbraw/zinc/59/78/42/1018597842.db2.gz MQNSVMHSTLUIGC-QMMMGPOBSA-N -1 0 314.367 -0.089 20 0 DBADRM CCN1CC[C@H](NS(=O)(=O)c2cncc(C(=O)[O-])c2)C1=O ZINC001605472474 1018597973 /nfs/dbraw/zinc/59/79/73/1018597973.db2.gz QPEIFWRESPQDAB-JTQLQIEISA-N -1 0 313.335 -0.321 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CC1=O ZINC001605471690 1018598543 /nfs/dbraw/zinc/59/85/43/1018598543.db2.gz SEBPEQITMRXVMV-GUBZILKMSA-N -1 0 320.367 -0.889 20 0 DBADRM CCN1CCCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1=O ZINC001605478440 1018598710 /nfs/dbraw/zinc/59/87/10/1018598710.db2.gz CJTLLUVGEJIEBA-ZYHUDNBSSA-N -1 0 313.354 -0.260 20 0 DBADRM CCN1CCCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1=O ZINC001605479035 1018598895 /nfs/dbraw/zinc/59/88/95/1018598895.db2.gz SZOHPSQOXVYVPH-UHFFFAOYSA-N -1 0 316.339 -0.649 20 0 DBADRM Cn1cc(C(=O)Nc2cncc(C(=O)[O-])c2)c(=O)n(C)c1=O ZINC001605483899 1018599604 /nfs/dbraw/zinc/59/96/04/1018599604.db2.gz QBMPILVNNUXIMI-UHFFFAOYSA-N -1 0 304.262 -0.571 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001605485255 1018599678 /nfs/dbraw/zinc/59/96/78/1018599678.db2.gz FDPPKIYILRWFOA-PWSUYJOCSA-N -1 0 316.354 -0.524 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001605483549 1018600270 /nfs/dbraw/zinc/60/02/70/1018600270.db2.gz JIKLGEDOLNFEPM-UHFFFAOYSA-N -1 0 309.322 -0.265 20 0 DBADRM CCN1CCN(S(=O)(=O)N(C)CCC(=O)[O-])C(C)(C)C1=O ZINC001605482169 1018601240 /nfs/dbraw/zinc/60/12/40/1018601240.db2.gz RSSMTHRWBSHMPB-UHFFFAOYSA-N -1 0 321.399 -0.420 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(CCS(C)(=O)=O)C2)cn1 ZINC001605488960 1018601363 /nfs/dbraw/zinc/60/13/63/1018601363.db2.gz OUZTYZPJCPJRRQ-GHMZBOCLSA-N -1 0 315.395 -0.045 20 0 DBADRM CCN1CCO[C@H](C(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)C1 ZINC001605483011 1018601645 /nfs/dbraw/zinc/60/16/45/1018601645.db2.gz VIYZYVWOEWTXTB-DCAQKATOSA-N -1 0 314.338 -0.961 20 0 DBADRM CCN1CCO[C@@H](C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC001605482927 1018601832 /nfs/dbraw/zinc/60/18/32/1018601832.db2.gz PSKZZOZWCVFDCM-LLVKDONJSA-N -1 0 300.355 -0.295 20 0 DBADRM CCN1CCO[C@@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC001605482719 1018602103 /nfs/dbraw/zinc/60/21/03/1018602103.db2.gz BFMDDYOZXHSAAL-LLVKDONJSA-N -1 0 309.326 -0.920 20 0 DBADRM CCN1OC[C@@H](N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)C1=O ZINC001605485320 1018602621 /nfs/dbraw/zinc/60/26/21/1018602621.db2.gz GJSXILGPIPEXMX-BXUZGUMPSA-N -1 0 313.354 -0.990 20 0 DBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)c3cn[nH]n3)C2)cn1 ZINC001605489361 1018604294 /nfs/dbraw/zinc/60/42/94/1018604294.db2.gz DYHDHHVTYNXULP-IUCAKERBSA-N -1 0 304.310 -0.131 20 0 DBADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)[C@@H]3CCC(=O)N3)C2)cn1 ZINC001605491132 1018604431 /nfs/dbraw/zinc/60/44/31/1018604431.db2.gz OOECGLBNVVMJJX-UMNHJUIQSA-N -1 0 320.349 -0.285 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)c3cn[nH]n3)C2)cn1 ZINC001605489356 1018604791 /nfs/dbraw/zinc/60/47/91/1018604791.db2.gz DYHDHHVTYNXULP-BDAKNGLRSA-N -1 0 304.310 -0.131 20 0 DBADRM Cn1cc([C@@H]2C[C@H]2CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cn1 ZINC001605501332 1018607854 /nfs/dbraw/zinc/60/78/54/1018607854.db2.gz MJJRSQSHFTWYBR-MVWJERBFSA-N -1 0 313.379 -0.293 20 0 DBADRM Cn1ccc(CC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001605505327 1018608060 /nfs/dbraw/zinc/60/80/60/1018608060.db2.gz BBCNAOKBFOSYJW-NSHDSACASA-N -1 0 308.338 -0.456 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001605498771 1018608107 /nfs/dbraw/zinc/60/81/07/1018608107.db2.gz FTHUFQDIFHKYPT-SECBINFHSA-N -1 0 315.351 -0.133 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N1CCOC[C@@H]1CC(=O)[O-])C(C)=O ZINC001605509864 1018609773 /nfs/dbraw/zinc/60/97/73/1018609773.db2.gz VRMVVLAJMTXJDY-WDEREUQCSA-N -1 0 315.322 -0.153 20 0 DBADRM CCOC(=O)[C@](C)(O)CNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001605509637 1018609976 /nfs/dbraw/zinc/60/99/76/1018609976.db2.gz ZFMNUOAUPNXMQU-SNVBAGLBSA-N -1 0 309.340 -0.773 20 0 DBADRM CCOC(=O)[C@]1(C)CN(CN2C[C@@H](C(=O)[O-])CC2=O)CCO1 ZINC001605518036 1018610504 /nfs/dbraw/zinc/61/05/04/1018610504.db2.gz WCRGFKANHUQINJ-HZMBPMFUSA-N -1 0 314.338 -0.469 20 0 DBADRM Cn1ccnc1CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001605511558 1018610683 /nfs/dbraw/zinc/61/06/83/1018610683.db2.gz BVNQSBHMWJPXAK-UHFFFAOYSA-N -1 0 315.351 -0.684 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001605512200 1018610734 /nfs/dbraw/zinc/61/07/34/1018610734.db2.gz PHCVQUPATWADPK-AWEZNQCLSA-N -1 0 308.338 -0.298 20 0 DBADRM CCOC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001605512737 1018610770 /nfs/dbraw/zinc/61/07/70/1018610770.db2.gz HUOJBROSXXQCOH-SNVBAGLBSA-N -1 0 317.319 -0.413 20 0 DBADRM CCOC(=O)[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001605514634 1018611438 /nfs/dbraw/zinc/61/14/38/1018611438.db2.gz ZITTUADKOWHISQ-ZETCQYMHSA-N -1 0 307.280 -0.820 20 0 DBADRM Cn1ccnc1CCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001605511581 1018611459 /nfs/dbraw/zinc/61/14/59/1018611459.db2.gz BYHSDDPPBYVWBK-SECBINFHSA-N -1 0 315.351 -0.937 20 0 DBADRM Cn1cccc1CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001605511355 1018611622 /nfs/dbraw/zinc/61/16/22/1018611622.db2.gz HZWZHEKMMHYPOL-UHFFFAOYSA-N -1 0 305.294 -0.439 20 0 DBADRM CCOC(=O)[C@@]1(C)CN(CN2C[C@@H](C(=O)[O-])CC2=O)CCO1 ZINC001605518037 1018611981 /nfs/dbraw/zinc/61/19/81/1018611981.db2.gz WCRGFKANHUQINJ-IINYFYTJSA-N -1 0 314.338 -0.469 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC001605533413 1018612647 /nfs/dbraw/zinc/61/26/47/1018612647.db2.gz CWIGZGSZGANROW-QMMMGPOBSA-N -1 0 315.351 -0.327 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC001605532741 1018612852 /nfs/dbraw/zinc/61/28/52/1018612852.db2.gz HVWPFYIZILNDRC-ZETCQYMHSA-N -1 0 301.324 -0.623 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(CC(=O)NC[C@@H](O)CC(=O)[O-])C1 ZINC001605526365 1018612903 /nfs/dbraw/zinc/61/29/03/1018612903.db2.gz NTEFWGPOOYLEOF-MNOVXSKESA-N -1 0 316.354 -0.787 20 0 DBADRM CCOC(=O)C1CCC(O)(Cn2nnc(CC(=O)[O-])n2)CC1 ZINC001605524839 1018612969 /nfs/dbraw/zinc/61/29/69/1018612969.db2.gz QWZYPMXMEAZTTO-UHFFFAOYSA-N -1 0 312.326 -0.215 20 0 DBADRM CCOC(=O)[C@H]1CCCCN1C(=O)CN[C@](C)(CO)C(=O)[O-] ZINC001605524620 1018614719 /nfs/dbraw/zinc/61/47/19/1018614719.db2.gz LYQOJAHDRJOFLT-QMTHXVAHSA-N -1 0 316.354 -0.644 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC001605532743 1018614733 /nfs/dbraw/zinc/61/47/33/1018614733.db2.gz IDFYATWCLNPFIL-MRVPVSSYSA-N -1 0 309.326 -0.361 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC001605533411 1018615228 /nfs/dbraw/zinc/61/52/28/1018615228.db2.gz CWIGZGSZGANROW-MRVPVSSYSA-N -1 0 315.351 -0.327 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001605539406 1018616575 /nfs/dbraw/zinc/61/65/75/1018616575.db2.gz SUAYFQVEIDJCNS-LJGSYFOKSA-N -1 0 301.324 -0.576 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001605538858 1018616832 /nfs/dbraw/zinc/61/68/32/1018616832.db2.gz FXANZCVCVYSQAU-XQRVVYSFSA-N -1 0 324.289 -0.132 20 0 DBADRM CCOC(=O)C[C@H]1C[C@H](OC)CN1CC(=O)NCC(=O)[O-] ZINC001605535528 1018616960 /nfs/dbraw/zinc/61/69/60/1018616960.db2.gz RKDBKKSAVIATLG-ZJUUUORDSA-N -1 0 302.327 -0.770 20 0 DBADRM CCOC(=O)COCCNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001605542783 1018617317 /nfs/dbraw/zinc/61/73/17/1018617317.db2.gz VSLQVPQXJJGNIU-UWVGGRQHSA-N -1 0 318.326 -0.957 20 0 DBADRM Cc1cc(-c2nn[nH]n2)ccc1C(=O)[N-]S(=O)(=O)N(C)C ZINC001605536485 1018617900 /nfs/dbraw/zinc/61/79/00/1018617900.db2.gz CIWGOLVSECAELB-UHFFFAOYSA-N -1 0 310.339 -0.289 20 0 DBADRM CCOC(=O)COCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001605542785 1018618343 /nfs/dbraw/zinc/61/83/43/1018618343.db2.gz VSLQVPQXJJGNIU-ZJUUUORDSA-N -1 0 318.326 -0.957 20 0 DBADRM Cn1nc(C(F)(F)F)cc1C(=O)OCC(=O)NCC(=O)[O-] ZINC001605545834 1018619549 /nfs/dbraw/zinc/61/95/49/1018619549.db2.gz YNPAUHNNOMZFQY-UHFFFAOYSA-N -1 0 309.200 -0.204 20 0 DBADRM Cn1ncc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1-n1cnnc1 ZINC001605550680 1018620584 /nfs/dbraw/zinc/62/05/84/1018620584.db2.gz VKCJAMDJRNHJRL-DTWKUNHWSA-N -1 0 304.310 -0.016 20 0 DBADRM CCOC(=O)N1C[C@@H](CO)[C@H](NCc2cc(C(=O)[O-])no2)C1 ZINC001605547294 1018621327 /nfs/dbraw/zinc/62/13/27/1018621327.db2.gz MHERZXJCPOGGBT-GZMMTYOYSA-N -1 0 313.310 -0.088 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC001605563478 1018625258 /nfs/dbraw/zinc/62/52/58/1018625258.db2.gz NYLJAHQXYPNYTM-QRTLGDNMSA-N -1 0 324.337 -0.525 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)NC1(C(=O)[O-])CC1 ZINC001605561122 1018625540 /nfs/dbraw/zinc/62/55/40/1018625540.db2.gz AZNLNCNGVZBOSK-UHFFFAOYSA-N -1 0 317.323 -0.210 20 0 DBADRM Cn1ncc2c1CN(C(=O)c1cccn(CC(=O)[O-])c1=O)C2 ZINC001605561919 1018625641 /nfs/dbraw/zinc/62/56/41/1018625641.db2.gz XAPVYZZJFSICJW-UHFFFAOYSA-N -1 0 302.290 -0.178 20 0 DBADRM Cn1nccc1[C@H]1c2[nH]cnc2CCN1CC(=O)NCC(=O)[O-] ZINC001605569675 1018626794 /nfs/dbraw/zinc/62/67/94/1018626794.db2.gz IQEGVXMZWHQRHI-AWEZNQCLSA-N -1 0 318.337 -0.709 20 0 DBADRM Cn1nccc1C1(O)CN(C(=O)C2(CC(=O)[O-])CCOCC2)C1 ZINC001605570006 1018627669 /nfs/dbraw/zinc/62/76/69/1018627669.db2.gz ORHPVRSZFFZIHZ-UHFFFAOYSA-N -1 0 323.349 -0.279 20 0 DBADRM CCO[C@H](C)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001605589845 1018631427 /nfs/dbraw/zinc/63/14/27/1018631427.db2.gz VCTMZCDRQDLIIK-RISCZKNCSA-N -1 0 300.355 -0.201 20 0 DBADRM CCO[C@H](C)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001605589843 1018633062 /nfs/dbraw/zinc/63/30/62/1018633062.db2.gz VCTMZCDRQDLIIK-BXUZGUMPSA-N -1 0 300.355 -0.201 20 0 DBADRM CCO[C@@H](C)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001605589844 1018633308 /nfs/dbraw/zinc/63/33/08/1018633308.db2.gz VCTMZCDRQDLIIK-FZMZJTMJSA-N -1 0 300.355 -0.201 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001605625136 1018634294 /nfs/dbraw/zinc/63/42/94/1018634294.db2.gz SJRKEIXOLFZECM-JQWIXIFHSA-N -1 0 318.370 -0.278 20 0 DBADRM CCOCC(=O)NC[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001605618164 1018634323 /nfs/dbraw/zinc/63/43/23/1018634323.db2.gz HUQJQKORDXNRSR-AOOOYVTPSA-N -1 0 308.338 -0.060 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)Cc1nnc(S(C)(=O)=O)s1 ZINC001605625135 1018634869 /nfs/dbraw/zinc/63/48/69/1018634869.db2.gz RAPOFLOGAFSPDL-ZETCQYMHSA-N -1 0 323.396 -0.137 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)CCn1cccn1 ZINC001605623838 1018635178 /nfs/dbraw/zinc/63/51/78/1018635178.db2.gz GOQLCXPTOZXJLV-SNVBAGLBSA-N -1 0 305.356 -0.366 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001605625016 1018635711 /nfs/dbraw/zinc/63/57/11/1018635711.db2.gz RFFVDIHMVUZHAJ-UWVGGRQHSA-N -1 0 322.383 -0.736 20 0 DBADRM CCOC1CC2(C[C@H]2C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC001605615397 1018635741 /nfs/dbraw/zinc/63/57/41/1018635741.db2.gz MPNBIENUBHZIIH-FMCALUSXSA-N -1 0 310.350 -0.007 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cn(CCOC)nn1 ZINC001605621645 1018635969 /nfs/dbraw/zinc/63/59/69/1018635969.db2.gz JMTNECNIXZXHMV-SNVBAGLBSA-N -1 0 300.315 -0.514 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)Cn1ccc(C(=O)OC)n1 ZINC001605620709 1018636105 /nfs/dbraw/zinc/63/61/05/1018636105.db2.gz RAKGTVISLPCZTK-SNVBAGLBSA-N -1 0 313.310 -0.382 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)N1CCS(=O)(=O)CC1 ZINC001605620915 1018636245 /nfs/dbraw/zinc/63/62/45/1018636245.db2.gz ZYPYNGGVZLGIJY-SECBINFHSA-N -1 0 308.356 -0.742 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC001605627225 1018636964 /nfs/dbraw/zinc/63/69/64/1018636964.db2.gz XKXIOGWLDUBOCV-VWCDRPFISA-N -1 0 307.262 -0.263 20 0 DBADRM NC(=O)C12CCC(CC1)N2C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001605626735 1018638226 /nfs/dbraw/zinc/63/82/26/1018638226.db2.gz KTBUANBHWVPREV-UHFFFAOYSA-N -1 0 319.317 -0.445 20 0 DBADRM NC(=O)CCCCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605631905 1018638389 /nfs/dbraw/zinc/63/83/89/1018638389.db2.gz QTHXLDLTBGAIMU-JTQLQIEISA-N -1 0 313.354 -0.386 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)C2(CC(=O)[O-])CCOCC2)C1 ZINC001605626451 1018638740 /nfs/dbraw/zinc/63/87/40/1018638740.db2.gz FMBNRNJTVUNCFG-QMMMGPOBSA-N -1 0 313.310 -0.996 20 0 DBADRM CCOCCOC1CN(C(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605638058 1018639617 /nfs/dbraw/zinc/63/96/17/1018639617.db2.gz FQOUEOUFCJGXTD-ONGXEEELSA-N -1 0 314.338 -0.913 20 0 DBADRM CCOCCS(=O)(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001605638335 1018639762 /nfs/dbraw/zinc/63/97/62/1018639762.db2.gz BZRSNWPNGHAJLO-NSHDSACASA-N -1 0 306.340 -0.342 20 0 DBADRM NC(=O)[C@@H]1Cc2ccccc2CN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001605635282 1018640602 /nfs/dbraw/zinc/64/06/02/1018640602.db2.gz QKRAIZLBSQZOHU-OLZOCXBDSA-N -1 0 317.345 -0.416 20 0 DBADRM NC(=O)[C@]12CCC[C@H]1CN(C(=O)c1cn(CC(=O)[O-])nn1)C2 ZINC001605635036 1018640858 /nfs/dbraw/zinc/64/08/58/1018640858.db2.gz GAKOJQUVZPUUAV-SDBXPKJASA-N -1 0 307.310 -0.910 20 0 DBADRM NC(=O)c1cc(CNC(=O)C2(CC(=O)[O-])CCOCC2)on1 ZINC001605639901 1018640877 /nfs/dbraw/zinc/64/08/77/1018640877.db2.gz YVHZSIAMXSYAKQ-UHFFFAOYSA-N -1 0 311.294 -0.339 20 0 DBADRM NC(=O)Cn1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)nn1 ZINC001605634010 1018641003 /nfs/dbraw/zinc/64/10/03/1018641003.db2.gz HWHRBSVTCOYLQD-GFCCVEGCSA-N -1 0 307.285 -0.182 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1 ZINC001605643146 1018642269 /nfs/dbraw/zinc/64/22/69/1018642269.db2.gz MVNMGXJNYXRFSH-RQOWECAXSA-N -1 0 314.319 -0.072 20 0 DBADRM CCO[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001605651809 1018642430 /nfs/dbraw/zinc/64/24/30/1018642430.db2.gz WOIJZDYFDSUHAH-GHMZBOCLSA-N -1 0 316.335 -0.138 20 0 DBADRM CCO[C@H]1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001605652219 1018642609 /nfs/dbraw/zinc/64/26/09/1018642609.db2.gz NSSJFJKPXMNNRX-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM NS(=O)(=O)c1cccc(CN2CCO[C@H](C(=O)[O-])C2)c1 ZINC001605649135 1018643479 /nfs/dbraw/zinc/64/34/79/1018643479.db2.gz QYRJWJHSLINXGO-NSHDSACASA-N -1 0 300.336 -0.381 20 0 DBADRM CCOCc1nc([C@H](C)NC(=O)Cn2cc(C(=O)[O-])nn2)no1 ZINC001605644421 1018643731 /nfs/dbraw/zinc/64/37/31/1018643731.db2.gz HSOIQXAVLPGJDI-ZETCQYMHSA-N -1 0 324.297 -0.227 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC2(CC(=O)[O-])CCC2)cn1 ZINC001605650175 1018643750 /nfs/dbraw/zinc/64/37/50/1018643750.db2.gz UJBLTARZVJZVQA-UHFFFAOYSA-N -1 0 313.335 -0.144 20 0 DBADRM NC(=O)c1csc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)n1 ZINC001605643240 1018643856 /nfs/dbraw/zinc/64/38/56/1018643856.db2.gz WZGFFEIZFDOQRQ-JTQLQIEISA-N -1 0 300.296 -0.393 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cs1 ZINC001605649654 1018643896 /nfs/dbraw/zinc/64/38/96/1018643896.db2.gz GLFVLYORLHHCNG-ZCFIWIBFSA-N -1 0 319.320 -0.437 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1 ZINC001605643144 1018643931 /nfs/dbraw/zinc/64/39/31/1018643931.db2.gz MVNMGXJNYXRFSH-DUXPYHPUSA-N -1 0 314.319 -0.072 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@H]1CCCS(=O)(=O)C1)C2 ZINC001605659874 1018644979 /nfs/dbraw/zinc/64/49/79/1018644979.db2.gz ATOBWEQHFLMVNJ-OPQQBVKSSA-N -1 0 317.363 -0.629 20 0 DBADRM Nc1ccc(F)cc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001605654849 1018646093 /nfs/dbraw/zinc/64/60/93/1018646093.db2.gz UQQNDZKFYHSJMJ-JTQLQIEISA-N -1 0 316.310 -0.268 20 0 DBADRM O=C(CN1CCCNC1=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001605693739 1018646198 /nfs/dbraw/zinc/64/61/98/1018646198.db2.gz DBEYPQRJXCRQLZ-UHFFFAOYSA-N -1 0 323.309 -0.535 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@@H]1CCCS(=O)(=O)C1)C2 ZINC001605659863 1018646386 /nfs/dbraw/zinc/64/63/86/1018646386.db2.gz ATOBWEQHFLMVNJ-GIPNMCIBSA-N -1 0 317.363 -0.629 20 0 DBADRM Nc1ncncc1CNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001605660878 1018646762 /nfs/dbraw/zinc/64/67/62/1018646762.db2.gz WZDFNYZKXYCBER-UHFFFAOYSA-N -1 0 309.326 -0.261 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCCC(=O)Nc2cccnc2)C1 ZINC001605680551 1018647201 /nfs/dbraw/zinc/64/72/01/1018647201.db2.gz UNXXGPZEIYKSOM-JTQLQIEISA-N -1 0 306.278 -0.244 20 0 DBADRM O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001605669634 1018647433 /nfs/dbraw/zinc/64/74/33/1018647433.db2.gz MGGCVGRPYHUFTF-JOFVHKCDSA-N -1 0 324.333 -0.432 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@H]1CCCc3nn[nH]c31)C2 ZINC001605660398 1018647454 /nfs/dbraw/zinc/64/74/54/1018647454.db2.gz LYPPUDRCFQGCIX-TVLCNXBWSA-N -1 0 306.322 -0.216 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCCC(=O)C1CC1 ZINC001605676986 1018647629 /nfs/dbraw/zinc/64/76/29/1018647629.db2.gz BQKCFOFSKMYJSY-JTQLQIEISA-N -1 0 317.363 -0.154 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)Nc2cc(C(=O)[O-])n(C)n2)C1 ZINC001605718321 1018648709 /nfs/dbraw/zinc/64/87/09/1018648709.db2.gz FDHAMGFSYUBLRH-UHFFFAOYSA-N -1 0 316.339 -0.231 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)CCNC(=O)CO)O2 ZINC001605699708 1018648761 /nfs/dbraw/zinc/64/87/61/1018648761.db2.gz ZJMQRITWAHLGAO-OPASDULOSA-N -1 0 314.338 -0.986 20 0 DBADRM O=C(CNC(=O)N1CCCC1)NCC1(C(=O)[O-])CCOCC1 ZINC001605696420 1018649737 /nfs/dbraw/zinc/64/97/37/1018649737.db2.gz RWFDTJUIRIGYPJ-UHFFFAOYSA-N -1 0 313.354 -0.211 20 0 DBADRM O=C([O-])C(=O)COC(=O)CNC(=O)N1CCc2ccccc2C1 ZINC001605696338 1018649852 /nfs/dbraw/zinc/64/98/52/1018649852.db2.gz MHEPXVAUZIWTBJ-UHFFFAOYSA-N -1 0 320.301 -0.049 20 0 DBADRM CCS(=O)(=O)C1CN([C@H]2CCCN(CCC(=O)[O-])C2=O)C1 ZINC001605718783 1018650170 /nfs/dbraw/zinc/65/01/70/1018650170.db2.gz LMVFXKYMSUJQCK-NSHDSACASA-N -1 0 318.395 -0.429 20 0 DBADRM Cc1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c[nH]c1=O ZINC001605707712 1018650321 /nfs/dbraw/zinc/65/03/21/1018650321.db2.gz CKNYCEYMCDHOHC-UHFFFAOYSA-N -1 0 301.270 -0.494 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CN1CCOCC1=O ZINC001605693899 1018650458 /nfs/dbraw/zinc/65/04/58/1018650458.db2.gz NLMVEOJGYSMHAM-LLVKDONJSA-N -1 0 307.306 -0.948 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001605726639 1018652508 /nfs/dbraw/zinc/65/25/08/1018652508.db2.gz ZOXBOAYDUMAXOL-VGMNWLOBSA-N -1 0 308.356 -0.985 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)Nc1nc(C(=O)[O-])ns1 ZINC001605725360 1018652615 /nfs/dbraw/zinc/65/26/15/1018652615.db2.gz SEGDXSKZSGFPAW-UHFFFAOYSA-N -1 0 308.341 -0.544 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@]1(COC)C(=O)[O-] ZINC001605726462 1018652924 /nfs/dbraw/zinc/65/29/24/1018652924.db2.gz DLWZXQJTOLTNAN-LBPRGKRZSA-N -1 0 322.383 -0.640 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001605725009 1018652961 /nfs/dbraw/zinc/65/29/61/1018652961.db2.gz DNGVYLJLNGJFOL-JGVFFNPUSA-N -1 0 310.397 -0.657 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605724740 1018653215 /nfs/dbraw/zinc/65/32/15/1018653215.db2.gz FHWNCHFIMHMZSY-AOOOYVTPSA-N -1 0 321.399 -0.180 20 0 DBADRM O=C([O-])C(=O)COC(=O)Cn1nc(-c2ccccc2)oc1=O ZINC001605731096 1018655174 /nfs/dbraw/zinc/65/51/74/1018655174.db2.gz NFUBWPFUFOWPNJ-UHFFFAOYSA-N -1 0 306.230 -0.300 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1ccc(F)cc1 ZINC001605731661 1018656999 /nfs/dbraw/zinc/65/69/99/1018656999.db2.gz QZECGEATARIQOH-ZJUUUORDSA-N -1 0 316.310 -0.241 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@H](O)[C@H]1CCCO1 ZINC001605750273 1018657950 /nfs/dbraw/zinc/65/79/50/1018657950.db2.gz FZTIFQOWRNGRPS-NWDGAFQWSA-N -1 0 322.317 -0.021 20 0 DBADRM O=C([O-])C1(CNC(=O)c2ccc3n[nH]nc3n2)CCOCC1 ZINC001605762436 1018658539 /nfs/dbraw/zinc/65/85/39/1018658539.db2.gz FZRGRMFQPZFJFP-UHFFFAOYSA-N -1 0 305.294 -0.036 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCc3c[nH]nc32)C1 ZINC001605749244 1018658947 /nfs/dbraw/zinc/65/89/47/1018658947.db2.gz FIBZCBRWBNIWNH-NXEZZACHSA-N -1 0 306.322 -0.164 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H]2CCCc3c[nH]nc32)CCO1 ZINC001605749310 1018659230 /nfs/dbraw/zinc/65/92/30/1018659230.db2.gz IULZVICTOUFJFG-VHSXEESVSA-N -1 0 322.321 -0.785 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001605749380 1018659896 /nfs/dbraw/zinc/65/98/96/1018659896.db2.gz MSNMRLQLURHEMO-OPRDCNLKSA-N -1 0 321.337 -0.077 20 0 DBADRM CCc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])nn1C ZINC001605785171 1018661030 /nfs/dbraw/zinc/66/10/30/1018661030.db2.gz NAFGOBXCZFSYGL-SNVBAGLBSA-N -1 0 315.351 -0.694 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NCCC2(CO)CC2)c1 ZINC001605776059 1018661280 /nfs/dbraw/zinc/66/12/80/1018661280.db2.gz ZGMQFKPQOYVRFI-UHFFFAOYSA-N -1 0 307.306 -0.003 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1C(=O)N(C)CCS(N)(=O)=O ZINC001605789555 1018662598 /nfs/dbraw/zinc/66/25/98/1018662598.db2.gz RLZVLTDLWWVAMX-UHFFFAOYSA-N -1 0 324.366 -0.464 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)N[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001605825546 1018664270 /nfs/dbraw/zinc/66/42/70/1018664270.db2.gz JIOGMPLEQMKHCW-HEGDTKNNSA-N -1 0 308.334 -0.095 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)c1ccnc(N2CCOCC2)n1 ZINC001605840224 1018664791 /nfs/dbraw/zinc/66/47/91/1018664791.db2.gz MXFLSFPFGLOLSR-UHFFFAOYSA-N -1 0 318.293 -0.013 20 0 DBADRM O=C([O-])c1ccccc1CNC(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC001605806384 1018665315 /nfs/dbraw/zinc/66/53/15/1018665315.db2.gz BPQOLBZPPNCZMO-MEDUHNTESA-N -1 0 318.329 -0.016 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)C(=O)Nc1ccc2ncnn2c1 ZINC001605857620 1018665966 /nfs/dbraw/zinc/66/59/66/1018665966.db2.gz WIVNCELNQICRRM-SECBINFHSA-N -1 0 303.278 -0.257 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@@H](C2OCCO2)C1 ZINC001605837576 1018665980 /nfs/dbraw/zinc/66/59/80/1018665980.db2.gz WVSBZCMXCLTINY-OPRDCNLKSA-N -1 0 312.322 -0.813 20 0 DBADRM O=C([O-])C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O ZINC001605878797 1018668154 /nfs/dbraw/zinc/66/81/54/1018668154.db2.gz PARXPVBJMXRKIN-AWEZNQCLSA-N -1 0 304.258 -0.130 20 0 DBADRM CCc1nnc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)o1 ZINC001605869794 1018668285 /nfs/dbraw/zinc/66/82/85/1018668285.db2.gz LZVSTCKOGQYDIR-ZJUUUORDSA-N -1 0 308.338 -0.003 20 0 DBADRM CCc1nnsc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001605874644 1018669390 /nfs/dbraw/zinc/66/93/90/1018669390.db2.gz ZVOBIBZXPGWMKK-ZETCQYMHSA-N -1 0 319.364 -0.576 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCn2cnc(-c3nnn[n-]3)n2)o1 ZINC001605882580 1018669521 /nfs/dbraw/zinc/66/95/21/1018669521.db2.gz UHEUMXQIGNUPRI-UHFFFAOYSA-N -1 0 324.326 -0.662 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N2CCC3(C2)OCCO3)c1 ZINC001605871375 1018669628 /nfs/dbraw/zinc/66/96/28/1018669628.db2.gz URNTYGXVYPBYHW-UHFFFAOYSA-N -1 0 321.289 -0.306 20 0 DBADRM CCc1nnc(CN2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)o1 ZINC001605869791 1018670279 /nfs/dbraw/zinc/67/02/79/1018670279.db2.gz LZVSTCKOGQYDIR-NXEZZACHSA-N -1 0 308.338 -0.003 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cnc3[nH]ccc3c2)CC1 ZINC001605885668 1018671130 /nfs/dbraw/zinc/67/11/30/1018671130.db2.gz DOWUJDFRBYOZBT-UHFFFAOYSA-N -1 0 302.290 -0.117 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2CCc3n[nH]cc3C2)CC1 ZINC001605885883 1018671438 /nfs/dbraw/zinc/67/14/38/1018671438.db2.gz TWWLTHIUJLITHT-VIFPVBQESA-N -1 0 306.322 -0.730 20 0 DBADRM O=C([O-])C1(C(=O)N2CC(C(F)F)C2)CCS(=O)(=O)CC1 ZINC001605910586 1018671881 /nfs/dbraw/zinc/67/18/81/1018671881.db2.gz WLZONQQFPAROLF-UHFFFAOYSA-N -1 0 311.306 -0.011 20 0 DBADRM O=C([O-])[C@@H](C(=O)NCc1nnc2c(=O)[nH]ccn12)C1CCCC1 ZINC001605898186 1018672187 /nfs/dbraw/zinc/67/21/87/1018672187.db2.gz OQMJJRFCYBTHPF-SNVBAGLBSA-N -1 0 319.321 -0.075 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001605885982 1018672586 /nfs/dbraw/zinc/67/25/86/1018672586.db2.gz XAIIMAQWVHWVAQ-UHFFFAOYSA-N -1 0 302.290 -0.068 20 0 DBADRM O=C([O-])[C@@H](C(=O)NC[C@@]1(CO)COCCN1)C1CCCC1 ZINC001605893391 1018672691 /nfs/dbraw/zinc/67/26/91/1018672691.db2.gz XKHBQIVTBXOQSX-BXUZGUMPSA-N -1 0 300.355 -0.656 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCCNC(C)=O ZINC001605886784 1018673140 /nfs/dbraw/zinc/67/31/40/1018673140.db2.gz MUFRMINCYXHGFF-UHFFFAOYSA-N -1 0 304.324 -0.045 20 0 DBADRM CCn1c(Br)ncc1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001605907161 1018673376 /nfs/dbraw/zinc/67/33/76/1018673376.db2.gz YFKWJNRIAYVGKU-YFKPBYRVSA-N -1 0 306.116 -0.159 20 0 DBADRM CCn1cc(C(=O)C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)cn1 ZINC001605915780 1018674219 /nfs/dbraw/zinc/67/42/19/1018674219.db2.gz ZFOZVIZRBWMQAN-CQSZACIVSA-N -1 0 320.305 -0.082 20 0 DBADRM CCn1cc(C(=O)C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)cn1 ZINC001605915779 1018674495 /nfs/dbraw/zinc/67/44/95/1018674495.db2.gz ZFOZVIZRBWMQAN-AWEZNQCLSA-N -1 0 320.305 -0.082 20 0 DBADRM CCn1cc(-c2n[nH]cc2C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cn1 ZINC001605915906 1018674808 /nfs/dbraw/zinc/67/48/08/1018674808.db2.gz XAHKENVTIGQRDV-XCBNKYQSSA-N -1 0 307.310 -0.143 20 0 DBADRM CCn1cc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)nn1 ZINC001605920807 1018674847 /nfs/dbraw/zinc/67/48/47/1018674847.db2.gz FDPAXLRIGGHGAM-SNVBAGLBSA-N -1 0 309.326 -0.763 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)CCCCC1 ZINC001605935025 1018676528 /nfs/dbraw/zinc/67/65/28/1018676528.db2.gz WRDVIKVFZPMVDA-RKDXNWHRSA-N -1 0 305.352 -0.704 20 0 DBADRM CCn1cnc(S(=O)(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c1 ZINC001605932406 1018677317 /nfs/dbraw/zinc/67/73/17/1018677317.db2.gz KNTGASRLOUDHFC-SNVBAGLBSA-N -1 0 316.383 -0.460 20 0 DBADRM CCn1nc(C)c(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001605934771 1018677349 /nfs/dbraw/zinc/67/73/49/1018677349.db2.gz OQFCESDMCGQEPE-SECBINFHSA-N -1 0 319.325 -0.017 20 0 DBADRM CCn1cnc(S(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c1 ZINC001605932702 1018677375 /nfs/dbraw/zinc/67/73/75/1018677375.db2.gz QNOJWDKORZYLKJ-LLVKDONJSA-N -1 0 317.367 -0.251 20 0 DBADRM CCn1cnc(S(=O)(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c1 ZINC001605932401 1018677418 /nfs/dbraw/zinc/67/74/18/1018677418.db2.gz KNTGASRLOUDHFC-JTQLQIEISA-N -1 0 316.383 -0.460 20 0 DBADRM O=C([O-])C1(C(=O)NCCC2(CO)CC2)CCS(=O)(=O)CC1 ZINC001605925900 1018677509 /nfs/dbraw/zinc/67/75/09/1018677509.db2.gz YNRHYYBGYLYTPJ-UHFFFAOYSA-N -1 0 319.379 -0.455 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@H]2CCCCS2(=O)=O)CCOCC1 ZINC001605924162 1018677668 /nfs/dbraw/zinc/67/76/68/1018677668.db2.gz QPTDYEZNZSEHCO-SNVBAGLBSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C1(C(=O)NCc2nnnn2CC2CC2)CCOCC1 ZINC001605935469 1018677738 /nfs/dbraw/zinc/67/77/38/1018677738.db2.gz KCGFMYSTXAFFKG-UHFFFAOYSA-N -1 0 309.326 -0.419 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H](CC2OCCO2)C(=O)[O-])cn1 ZINC001605925071 1018677758 /nfs/dbraw/zinc/67/77/58/1018677758.db2.gz RJDLBPJGVWBSTH-VIFPVBQESA-N -1 0 319.339 -0.603 20 0 DBADRM CCn1cncc1S(=O)(=O)NCCC(=O)NCCC(=O)[O-] ZINC001605933124 1018678079 /nfs/dbraw/zinc/67/80/79/1018678079.db2.gz WWEOGFAKUQOWAB-UHFFFAOYSA-N -1 0 318.355 -0.838 20 0 DBADRM CCn1nncc1CN1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001605947101 1018678919 /nfs/dbraw/zinc/67/89/19/1018678919.db2.gz UCUOAAORQFLPIR-WPRPVWTQSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)n1 ZINC001605941053 1018679106 /nfs/dbraw/zinc/67/91/06/1018679106.db2.gz MGOBJNBKSTUDJT-UHFFFAOYSA-N -1 0 320.309 -0.410 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CCC(CC(=O)[O-])CC2)n1 ZINC001605941124 1018679171 /nfs/dbraw/zinc/67/91/71/1018679171.db2.gz OBRPNQGFEZYQCZ-UHFFFAOYSA-N -1 0 323.353 -0.373 20 0 DBADRM CCn1nnc(C)c1CNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001605946143 1018679225 /nfs/dbraw/zinc/67/92/25/1018679225.db2.gz XQHRARVYGZMECH-UHFFFAOYSA-N -1 0 319.321 -0.217 20 0 DBADRM CCn1ncc(CN2C(=O)[C@H]3C[C@H](C(=O)[O-])CCN3C2=O)n1 ZINC001605941125 1018680124 /nfs/dbraw/zinc/68/01/24/1018680124.db2.gz OCEMJRYLNNQIHN-PSASIEDQSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1nccc1NC(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001605946373 1018680232 /nfs/dbraw/zinc/68/02/32/1018680232.db2.gz VZSDXZXRKISUNB-CYBMUJFWSA-N -1 0 310.310 -0.456 20 0 DBADRM CCn1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1C ZINC001605941739 1018680331 /nfs/dbraw/zinc/68/03/31/1018680331.db2.gz ZGFWILTVAWMEKS-MNOVXSKESA-N -1 0 320.349 -0.127 20 0 DBADRM CCn1ncc(CNC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)n1 ZINC001605940858 1018680428 /nfs/dbraw/zinc/68/04/28/1018680428.db2.gz IERPGGAELHPECA-LLVKDONJSA-N -1 0 311.342 -0.335 20 0 DBADRM Cc1ccn(CN2CCCNC(=O)[C@@H]2C)c(=O)c1-c1nnn[n-]1 ZINC001605949859 1018682137 /nfs/dbraw/zinc/68/21/37/1018682137.db2.gz TYLHHYWQBQNMGZ-JTQLQIEISA-N -1 0 317.353 -0.495 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)Cc2ncc[nH]2)C1 ZINC001605956010 1018682195 /nfs/dbraw/zinc/68/21/95/1018682195.db2.gz DPNUDRJZWQWVNZ-VHSXEESVSA-N -1 0 306.322 -0.658 20 0 DBADRM CN(C(=O)C(=O)Nc1sccc1C(=O)[O-])[C@@H]1CCNC1=O ZINC001605951143 1018682672 /nfs/dbraw/zinc/68/26/72/1018682672.db2.gz TYCOIMRXAPEHMY-SSDOTTSWSA-N -1 0 311.319 -0.268 20 0 DBADRM CN(C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)[C@@H]1CCNC1=O ZINC001605952340 1018682904 /nfs/dbraw/zinc/68/29/04/1018682904.db2.gz UHJJXHQOBJXMIP-WMFXKJRFSA-N -1 0 323.349 -0.953 20 0 DBADRM CN(C(=O)C(=O)N1CCC2(C1)OCCO2)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605951510 1018683062 /nfs/dbraw/zinc/68/30/62/1018683062.db2.gz JVPCNSGWUJPTFA-AOOOYVTPSA-N -1 0 312.322 -0.717 20 0 DBADRM CN(C(=O)CN1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1)C1CC1 ZINC001605960932 1018683987 /nfs/dbraw/zinc/68/39/87/1018683987.db2.gz OBDBLZXAAYCQDM-RYUDHWBXSA-N -1 0 309.366 -0.624 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCC2N=NC(=S)N2C2CC2)C1 ZINC001605970964 1018684718 /nfs/dbraw/zinc/68/47/18/1018684718.db2.gz SZHRENXMSMZKAX-ZETCQYMHSA-N -1 0 311.323 -0.253 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@H]2COc3ccccc3[C@@H]2O)C1 ZINC001605967975 1018685667 /nfs/dbraw/zinc/68/56/67/1018685667.db2.gz QTHCAOPDKBNTDZ-DLOVCJGASA-N -1 0 306.274 -0.173 20 0 DBADRM Cc1ccncc1CCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001605960840 1018686138 /nfs/dbraw/zinc/68/61/38/1018686138.db2.gz ABRLOBROTOJPSB-UHFFFAOYSA-N -1 0 313.325 -0.479 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=S)NCCCC(=O)[O-])O1 ZINC001605990975 1018687864 /nfs/dbraw/zinc/68/78/64/1018687864.db2.gz CNHOTMYADBWXBU-ZJUUUORDSA-N -1 0 317.411 -0.049 20 0 DBADRM CN(C(C)(C)C(=O)[O-])S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001605989113 1018688060 /nfs/dbraw/zinc/68/80/60/1018688060.db2.gz FIYBJEXUPVWXEN-VIFPVBQESA-N -1 0 304.368 -0.126 20 0 DBADRM CN(C(=O)Nc1c(C(=O)[O-])cnn1C)[C@H]1CCS(=O)(=O)C1 ZINC001605972256 1018688593 /nfs/dbraw/zinc/68/85/93/1018688593.db2.gz TUZUWZFGBUMJIC-ZETCQYMHSA-N -1 0 316.339 -0.231 20 0 DBADRM CN(C)C(=O)C1CCC(C(=O)NCC[C@H](O)C(=O)[O-])CC1 ZINC001605991686 1018689225 /nfs/dbraw/zinc/68/92/25/1018689225.db2.gz ZWGIPNRRINTCLT-ILDUYXDCSA-N -1 0 300.355 -0.167 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NCc2ccoc2C(=O)[O-])nn1 ZINC001606000416 1018689934 /nfs/dbraw/zinc/68/99/34/1018689934.db2.gz QEYSIJGHCCAJHQ-UHFFFAOYSA-N -1 0 321.293 -0.413 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCC[C@@H]3COC[C@@H]32)CC1 ZINC001606000017 1018690411 /nfs/dbraw/zinc/69/04/11/1018690411.db2.gz KFHNQLZMINYUMN-NEPJUHHUSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCOCC3(CC3)C2)CC1 ZINC001606000023 1018691428 /nfs/dbraw/zinc/69/14/28/1018691428.db2.gz KKSATMORFHIYND-UHFFFAOYSA-N -1 0 310.350 -0.051 20 0 DBADRM CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001605993667 1018691947 /nfs/dbraw/zinc/69/19/47/1018691947.db2.gz HMSOEVVEVKEJSP-MRVPVSSYSA-N -1 0 322.408 -0.356 20 0 DBADRM Cc1nnc(CNC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)[nH]1 ZINC001606011107 1018693673 /nfs/dbraw/zinc/69/36/73/1018693673.db2.gz UCBAKMKFTIJKJW-UHFFFAOYSA-N -1 0 300.282 -0.071 20 0 DBADRM CN(C)C(=O)NCCN(C)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001606001927 1018694782 /nfs/dbraw/zinc/69/47/82/1018694782.db2.gz HQEOUOMNQOJKTF-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM CN(C)C(=O)NCCNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001606002175 1018694999 /nfs/dbraw/zinc/69/49/99/1018694999.db2.gz UDENZRXXMNJKRK-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM Cc1nc(-c2nnn[n-]2)c(N2NC(=O)[C@H]3CCC[C@H]3C2=O)o1 ZINC001606019597 1018696651 /nfs/dbraw/zinc/69/66/51/1018696651.db2.gz KKOBSUUFIGCPRP-NKWVEPMBSA-N -1 0 303.282 -0.043 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NCc1nc(C(=O)[O-])co1 ZINC001606037255 1018702864 /nfs/dbraw/zinc/70/28/64/1018702864.db2.gz FNXLVDQUVHPYGX-UHFFFAOYSA-N -1 0 305.312 -0.730 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001606037128 1018703167 /nfs/dbraw/zinc/70/31/67/1018703167.db2.gz AUUGJCUQAYYYBW-GWCFXTLKSA-N -1 0 318.395 -0.019 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001606038784 1018703203 /nfs/dbraw/zinc/70/32/03/1018703203.db2.gz DVYHFJIXJOFCAB-SECBINFHSA-N -1 0 305.356 -0.986 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001606038273 1018703643 /nfs/dbraw/zinc/70/36/43/1018703643.db2.gz YJDYVSCTGCKKFI-SNVBAGLBSA-N -1 0 310.397 -0.656 20 0 DBADRM CN(C)S(=O)(=O)N[C@@H](CNC(=O)CC(=O)[O-])C1CCCC1 ZINC001606038561 1018703656 /nfs/dbraw/zinc/70/36/56/1018703656.db2.gz CQAUXVJJGSZPAI-JTQLQIEISA-N -1 0 321.399 -0.468 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1ccnc(N2CCOCC2)n1 ZINC001606048137 1018704925 /nfs/dbraw/zinc/70/49/25/1018704925.db2.gz PLNSOFLRMDERBM-NSHDSACASA-N -1 0 322.321 -0.761 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001606045544 1018704946 /nfs/dbraw/zinc/70/49/46/1018704946.db2.gz MFZXNYWYUKIUOP-FDXSBTRWSA-N -1 0 321.399 -0.301 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2C(=O)[C@@]3(CCCO3)[C@@H]2C2CC2)CCO1 ZINC001606046445 1018706162 /nfs/dbraw/zinc/70/61/62/1018706162.db2.gz OOKLEKYKBYLBSR-SLEUVZQESA-N -1 0 310.350 -0.101 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001606039346 1018706936 /nfs/dbraw/zinc/70/69/36/1018706936.db2.gz PQMWSBUTORNALJ-SNVBAGLBSA-N -1 0 321.399 -0.658 20 0 DBADRM O=C([O-])/C=C/c1cc(C(=O)N[C@H](CO)CN2CCOCC2)co1 ZINC001606062234 1018707447 /nfs/dbraw/zinc/70/74/47/1018707447.db2.gz BLJCODGKBSTOOL-ISUDXETCSA-N -1 0 324.333 -0.200 20 0 DBADRM CN(C)c1ncc(NC(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)cn1 ZINC001606067920 1018708616 /nfs/dbraw/zinc/70/86/16/1018708616.db2.gz BHUFGCGLNXTLTG-VIFPVBQESA-N -1 0 319.321 -0.229 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@@H](O)CCC1(O)CCC1 ZINC001606056982 1018709433 /nfs/dbraw/zinc/70/94/33/1018709433.db2.gz IYYNQAQRFIKYIY-QWRGUYRKSA-N -1 0 321.395 -0.774 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001606056954 1018709517 /nfs/dbraw/zinc/70/95/17/1018709517.db2.gz HNSAVKVLFXDKFB-SSDOTTSWSA-N -1 0 323.277 -0.398 20 0 DBADRM CN(C)c1cccc(CNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001606059478 1018709655 /nfs/dbraw/zinc/70/96/55/1018709655.db2.gz HOYPJFJKDUCUJB-UHFFFAOYSA-N -1 0 321.333 -0.973 20 0 DBADRM CN(CC(=O)N[C@H](CF)C(=O)[O-])S(=O)(=O)c1cccnc1 ZINC001606078990 1018710306 /nfs/dbraw/zinc/71/03/06/1018710306.db2.gz BOUCORCEKRIJQZ-SECBINFHSA-N -1 0 319.314 -0.759 20 0 DBADRM O=C([O-])CC1(C(=O)NCc2nnc3n2CCNC3=O)CCC1 ZINC001606071652 1018710371 /nfs/dbraw/zinc/71/03/71/1018710371.db2.gz MMBFRJPDOCOSST-UHFFFAOYSA-N -1 0 307.310 -0.717 20 0 DBADRM CN(CC(=O)N1CC[C@@](O)(C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001606075296 1018710668 /nfs/dbraw/zinc/71/06/68/1018710668.db2.gz GVIUIBPLJDBWMU-ZDUSSCGKSA-N -1 0 302.327 -0.099 20 0 DBADRM CN(C)c1ncc(CN2CC(n3cc(C(=O)[O-])nn3)C2)cn1 ZINC001606068611 1018710713 /nfs/dbraw/zinc/71/07/13/1018710713.db2.gz QCHRQKVCKJLFAJ-UHFFFAOYSA-N -1 0 303.326 -0.111 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001606077223 1018710825 /nfs/dbraw/zinc/71/08/25/1018710825.db2.gz VQHSAJVHSRIBRW-UHFFFAOYSA-N -1 0 322.383 -0.843 20 0 DBADRM CN(C)c1nccc(CNC(=O)Cn2ccc(C(=O)[O-])n2)n1 ZINC001606068879 1018711196 /nfs/dbraw/zinc/71/11/96/1018711196.db2.gz GUWZLAHMNWZKIX-UHFFFAOYSA-N -1 0 304.310 -0.246 20 0 DBADRM CN(C)c1n[nH]c(CNC(=O)Nc2cc(C(=O)[O-])nn2C)n1 ZINC001606070647 1018711465 /nfs/dbraw/zinc/71/14/65/1018711465.db2.gz ZGBIIWOILZZIPH-UHFFFAOYSA-N -1 0 308.302 -0.376 20 0 DBADRM CN(CC(=O)N1CC(O)(C(=O)[O-])C1)C(=O)OCc1ccccc1 ZINC001606076090 1018712857 /nfs/dbraw/zinc/71/28/57/1018712857.db2.gz WJNFTXXNFXUZQZ-UHFFFAOYSA-N -1 0 322.317 -0.087 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N[C@]2(CC(=O)[O-])CCCOC2)n1 ZINC001606080576 1018713271 /nfs/dbraw/zinc/71/32/71/1018713271.db2.gz NABVKUABTMMDAS-ZDUSSCGKSA-N -1 0 324.341 -0.727 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])n1 ZINC001606082021 1018714178 /nfs/dbraw/zinc/71/41/78/1018714178.db2.gz ZVQGAMRGWWYFJS-BYPYZUCNSA-N -1 0 322.247 -0.345 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)n1 ZINC001606079550 1018714741 /nfs/dbraw/zinc/71/47/41/1018714741.db2.gz GFQRQCLFKKALDL-ZDUSSCGKSA-N -1 0 308.342 -0.153 20 0 DBADRM CN(CC(C)(CO)CO)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001606091227 1018715559 /nfs/dbraw/zinc/71/55/59/1018715559.db2.gz YRXLQGFAIPHWLZ-UHFFFAOYSA-N -1 0 300.315 -0.427 20 0 DBADRM CN(C[C@H]1CCCC[C@@H]1O)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001606101045 1018716509 /nfs/dbraw/zinc/71/65/09/1018716509.db2.gz PHRPDTFRKMHIMU-KKOKHZNYSA-N -1 0 312.366 -0.025 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001606185641 1018717198 /nfs/dbraw/zinc/71/71/98/1018717198.db2.gz XMGJFJSJCAKEJC-UWVGGRQHSA-N -1 0 311.338 -0.811 20 0 DBADRM O=C([O-])CCC(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC001606101672 1018717424 /nfs/dbraw/zinc/71/74/24/1018717424.db2.gz KDOAVOLBPRNNKX-UHFFFAOYSA-N -1 0 323.227 -0.008 20 0 DBADRM CN(C[C@H]1CCOC1)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001606101136 1018717442 /nfs/dbraw/zinc/71/74/42/1018717442.db2.gz QMWXBQLPZYACON-SNVBAGLBSA-N -1 0 301.343 -0.355 20 0 DBADRM O=C([O-])CCC(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC001606098755 1018718037 /nfs/dbraw/zinc/71/80/37/1018718037.db2.gz HOPSBHPNKPUEFZ-UHFFFAOYSA-N -1 0 321.381 -0.030 20 0 DBADRM CN1C(=O)C(=O)N(CN2CCSC[C@@H](C(=O)[O-])C2)C1=O ZINC001606186555 1018718265 /nfs/dbraw/zinc/71/82/65/1018718265.db2.gz MSVGNTSSHGUSJD-ZETCQYMHSA-N -1 0 301.324 -0.886 20 0 DBADRM Cc1nccnc1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001606099199 1018719037 /nfs/dbraw/zinc/71/90/37/1018719037.db2.gz XZJGVBUTWMPTMG-UHFFFAOYSA-N -1 0 315.301 -0.622 20 0 DBADRM CN(C[C@@H](O)CN1CCOC[C@H]1C(=O)[O-])CC(F)(F)F ZINC001606095703 1018719753 /nfs/dbraw/zinc/71/97/53/1018719753.db2.gz ONZZEXIYBHXBRZ-BDAKNGLRSA-N -1 0 300.277 -0.373 20 0 DBADRM CN(Cc1nncn1C)CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001606179254 1018719788 /nfs/dbraw/zinc/71/97/88/1018719788.db2.gz JFPTXWCRKIHDTC-CYBMUJFWSA-N -1 0 324.341 -0.620 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001606093614 1018719914 /nfs/dbraw/zinc/71/99/14/1018719914.db2.gz BGMVGKFJLMSBQA-UHFFFAOYSA-N -1 0 315.232 -0.455 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC001606105607 1018720912 /nfs/dbraw/zinc/72/09/12/1018720912.db2.gz LDYMRRPINOAHFN-JTQLQIEISA-N -1 0 320.367 -0.682 20 0 DBADRM CN(c1ncc(C(=O)[O-])cn1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001606187889 1018721167 /nfs/dbraw/zinc/72/11/67/1018721167.db2.gz XWWSJCGDKMHTAH-SECBINFHSA-N -1 0 307.310 -0.913 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@H](CO)Cc1ccoc1 ZINC001606105368 1018721304 /nfs/dbraw/zinc/72/13/04/1018721304.db2.gz IFBMFJABNTXVNW-LLVKDONJSA-N -1 0 320.367 -0.329 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1n[nH]c(=O)n1C1CC1 ZINC001606110469 1018721418 /nfs/dbraw/zinc/72/14/18/1018721418.db2.gz MISXKSLWAQJDCH-UHFFFAOYSA-N -1 0 319.343 -0.941 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC2=C(CCC(=O)N2)C1 ZINC001606106145 1018721832 /nfs/dbraw/zinc/72/18/32/1018721832.db2.gz YVADAEQQFDGZTB-UHFFFAOYSA-N -1 0 317.367 -0.493 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CCN3C(=O)N=NC3C2)CO1 ZINC001606108522 1018721980 /nfs/dbraw/zinc/72/19/80/1018721980.db2.gz VXTATCPNFMJDLL-DTWKUNHWSA-N -1 0 310.310 -0.404 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCc1cnn(CC(F)(F)F)c1 ZINC001606190205 1018721560 /nfs/dbraw/zinc/72/15/60/1018721560.db2.gz AQEQJWJGNJOGCS-UHFFFAOYSA-N -1 0 322.243 -0.348 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001606191489 1018721606 /nfs/dbraw/zinc/72/16/06/1018721606.db2.gz MTOMMZZPVMFHLB-JOTVYFQTSA-N -1 0 300.336 -0.217 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC001606190243 1018722127 /nfs/dbraw/zinc/72/21/27/1018722127.db2.gz GYAQLWPFWKESBM-VIFPVBQESA-N -1 0 324.312 -0.494 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@H](C(=O)[O-])c2cccs2)C1=O ZINC001606189848 1018722180 /nfs/dbraw/zinc/72/21/80/1018722180.db2.gz UEJVJEQGIWCVMH-JTQLQIEISA-N -1 0 311.319 -0.116 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1=O ZINC001606197382 1018722387 /nfs/dbraw/zinc/72/23/87/1018722387.db2.gz WOWNJNPHKKCECX-GDGBQDQQSA-N -1 0 309.322 -0.550 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)N2CCN3C(=O)N=NC3C2)CO1 ZINC001606108521 1018722758 /nfs/dbraw/zinc/72/27/58/1018722758.db2.gz VXTATCPNFMJDLL-BDAKNGLRSA-N -1 0 310.310 -0.404 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCCOc1ncccn1 ZINC001606110527 1018722912 /nfs/dbraw/zinc/72/29/12/1018722912.db2.gz PKMGRGRCTYNEHR-UHFFFAOYSA-N -1 0 318.355 -0.514 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(Cc2ccco2)CC1 ZINC001606190199 1018722771 /nfs/dbraw/zinc/72/27/71/1018722771.db2.gz ABIAWVBBCOBZLD-UHFFFAOYSA-N -1 0 309.322 -0.485 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)C(=O)c2ccc(O)cc2)CC1=O ZINC001606197067 1018723455 /nfs/dbraw/zinc/72/34/55/1018723455.db2.gz AIVJGRHJZSUIKA-SNVBAGLBSA-N -1 0 306.274 -0.671 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCc1cccnc1-n1ccnc1 ZINC001606190251 1018724142 /nfs/dbraw/zinc/72/41/42/1018724142.db2.gz HSVIHXGZBPPPGT-UHFFFAOYSA-N -1 0 317.305 -0.526 20 0 DBADRM CN1CC(=O)N(CC(=O)Nc2cccc(C(=O)[O-])c2N)C1=O ZINC001606197430 1018724225 /nfs/dbraw/zinc/72/42/25/1018724225.db2.gz YKRNPAWRJDHNHI-UHFFFAOYSA-N -1 0 306.278 -0.201 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1nc[nH]n1 ZINC001606120541 1018724708 /nfs/dbraw/zinc/72/47/08/1018724708.db2.gz DBNDTQBZGQWKEP-BDAKNGLRSA-N -1 0 309.326 -0.554 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-])CC2 ZINC001606198023 1018725379 /nfs/dbraw/zinc/72/53/79/1018725379.db2.gz QNVDXKMOIFQNFX-JOYOIKCWSA-N -1 0 320.349 -0.721 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc([S@@](C)=O)cc2)CC1=O ZINC001606198937 1018725644 /nfs/dbraw/zinc/72/56/44/1018725644.db2.gz BQZXDMWJWYCRGR-RKFFSXRUSA-N -1 0 324.358 -0.209 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cnc3[nH]cnc3c2)CC1=O ZINC001606198885 1018726023 /nfs/dbraw/zinc/72/60/23/1018726023.db2.gz AWKCGXVJTSTYEE-VIFPVBQESA-N -1 0 303.278 -0.675 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)/C=C/c2cncc(F)c2)CC1=O ZINC001606197852 1018726080 /nfs/dbraw/zinc/72/60/80/1018726080.db2.gz MUOOKEXGCLVSIT-KXMPLOMGSA-N -1 0 307.281 -0.012 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-])CC2 ZINC001606198022 1018726437 /nfs/dbraw/zinc/72/64/37/1018726437.db2.gz QNVDXKMOIFQNFX-CABZTGNLSA-N -1 0 320.349 -0.721 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)C(F)(F)C2(O)CCCC2)CC1=O ZINC001606197760 1018726911 /nfs/dbraw/zinc/72/69/11/1018726911.db2.gz KKNSSVOZGHNGNR-MRVPVSSYSA-N -1 0 320.292 -0.319 20 0 DBADRM CN1C[C@H](C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)NC1=O ZINC001606198606 1018727313 /nfs/dbraw/zinc/72/73/13/1018727313.db2.gz XREYWHOJRYXQFL-DTWKUNHWSA-N -1 0 322.325 -0.837 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)/C=C\c2cncc(O)c2)CC1=O ZINC001606197621 1018727744 /nfs/dbraw/zinc/72/77/44/1018727744.db2.gz HXIGBUJPEFSWOW-OTDNITJGSA-N -1 0 305.290 -0.446 20 0 DBADRM CN1C[C@H](OC(=O)CCCN2C(=O)CCC2=O)C[C@@H]1C(=O)[O-] ZINC001606204831 1018728515 /nfs/dbraw/zinc/72/85/15/1018728515.db2.gz IZNLAQJJNVUIGJ-NXEZZACHSA-N -1 0 312.322 -0.384 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCC2)CCC1=O ZINC001606203495 1018728632 /nfs/dbraw/zinc/72/86/32/1018728632.db2.gz UNTOPNRIRSNNPH-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CN1C[C@@H](NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CC1=O ZINC001606202568 1018729011 /nfs/dbraw/zinc/72/90/11/1018729011.db2.gz IFWJQFYAJJZZKG-ISVAXAHUSA-N -1 0 310.310 -0.768 20 0 DBADRM Cn1c(=O)[nH]c(N2CC(C)(C)[C@@H]2C2CC2)c(-c2nnn[n-]2)c1=O ZINC001606202943 1018730891 /nfs/dbraw/zinc/73/08/91/1018730891.db2.gz TWXRTOMIQYHEBZ-VIFPVBQESA-N -1 0 317.353 -0.122 20 0 DBADRM CN1C[C@@H](OC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CNC1=O ZINC001606204829 1018731076 /nfs/dbraw/zinc/73/10/76/1018731076.db2.gz IWGHEANLDMBQMS-AEJSXWLSSA-N -1 0 300.311 -0.177 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1cn(C)nn1 ZINC001606121636 1018731617 /nfs/dbraw/zinc/73/16/17/1018731617.db2.gz ZTTUYCJBWQQZMH-ZJUUUORDSA-N -1 0 323.353 -0.544 20 0 DBADRM CN(CCNC(=O)CC1OCCCO1)c1ncc(C(=O)[O-])cn1 ZINC001606129463 1018732334 /nfs/dbraw/zinc/73/23/34/1018732334.db2.gz HZQJBCNVJXRCCE-UHFFFAOYSA-N -1 0 324.337 -0.120 20 0 DBADRM CN(CCNC(=O)Cc1nc[nH]n1)c1ccnc(C(=O)[O-])n1 ZINC001606129916 1018733329 /nfs/dbraw/zinc/73/33/29/1018733329.db2.gz VZBSBMMLECAAAQ-UHFFFAOYSA-N -1 0 305.298 -0.912 20 0 DBADRM CN(CCNC(=O)c1ccnn1C)c1ncc(C(=O)[O-])cn1 ZINC001606133992 1018734806 /nfs/dbraw/zinc/73/48/06/1018734806.db2.gz ZVKLFPYIPDBNFX-UHFFFAOYSA-N -1 0 304.310 -0.226 20 0 DBADRM CN(CCO)CCNS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001606133981 1018735081 /nfs/dbraw/zinc/73/50/81/1018735081.db2.gz GYQAMRHYZXKZQT-UHFFFAOYSA-N -1 0 320.342 -0.274 20 0 DBADRM CN(CCNC(=O)c1cnsn1)c1ncc(C(=O)[O-])cn1 ZINC001606133460 1018735615 /nfs/dbraw/zinc/73/56/15/1018735615.db2.gz QUDQLBBGHQDLEO-UHFFFAOYSA-N -1 0 308.323 -0.108 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)Cn1cccn1 ZINC001606132866 1018735650 /nfs/dbraw/zinc/73/56/50/1018735650.db2.gz HZGWWGGIPJJMDK-UHFFFAOYSA-N -1 0 304.310 -0.058 20 0 DBADRM Cc1noc(CN(C)C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001606134494 1018735670 /nfs/dbraw/zinc/73/56/70/1018735670.db2.gz LEWKPDFKKVQBBK-ZCFIWIBFSA-N -1 0 318.301 -0.631 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)CCn1ccnn1 ZINC001606132954 1018735870 /nfs/dbraw/zinc/73/58/70/1018735870.db2.gz JVHOZXLWXBUOOH-UHFFFAOYSA-N -1 0 319.325 -0.273 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)c1cnn(C)n1 ZINC001606132719 1018736159 /nfs/dbraw/zinc/73/61/59/1018736159.db2.gz CKUHEVODGRNEMZ-UHFFFAOYSA-N -1 0 305.298 -0.513 20 0 DBADRM CN1CC2(CN(S(=O)(=O)c3cc(C(=O)[O-])co3)C2)OC1=O ZINC001606207424 1018738387 /nfs/dbraw/zinc/73/83/87/1018738387.db2.gz FFOHYGJDNWESMP-UHFFFAOYSA-N -1 0 316.291 -0.197 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)c1c[nH]c(=O)cn1 ZINC001606132855 1018738885 /nfs/dbraw/zinc/73/88/85/1018738885.db2.gz HRWSFMOFYFHWIS-UHFFFAOYSA-N -1 0 318.293 -0.558 20 0 DBADRM CN1CC[C@](C)(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])C1=O ZINC001606214542 1018740031 /nfs/dbraw/zinc/74/00/31/1018740031.db2.gz YQKNVYQTKLHYJL-YMTOWFKASA-N -1 0 314.338 -0.423 20 0 DBADRM O=C([O-])CN(C(=O)/C=C\CN1CCOCC1)C1CCOCC1 ZINC001606215807 1018741619 /nfs/dbraw/zinc/74/16/19/1018741619.db2.gz AWVBHFUITPCLNY-UPHRSURJSA-N -1 0 312.366 -0.033 20 0 DBADRM Cn1c(C(=O)[N-]S(=O)(=O)C(F)F)ccc1-c1nn[nH]n1 ZINC001606213475 1018741913 /nfs/dbraw/zinc/74/19/13/1018741913.db2.gz ZRTFVJJJKGDFHP-UHFFFAOYSA-N -1 0 306.254 -0.513 20 0 DBADRM CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001606143061 1018742034 /nfs/dbraw/zinc/74/20/34/1018742034.db2.gz NMANGPNJNQLFHX-GRYCIOLGSA-N -1 0 324.377 -0.071 20 0 DBADRM CN(Cc1ccccc1)C(=O)CN1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001606166715 1018742641 /nfs/dbraw/zinc/74/26/41/1018742641.db2.gz FBGCHNBUBCZTMY-ZDUSSCGKSA-N -1 0 319.361 -0.128 20 0 DBADRM CN1CC[C@H](C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1=O ZINC001606212565 1018743361 /nfs/dbraw/zinc/74/33/61/1018743361.db2.gz POLWTRZJPCVPDB-LLVKDONJSA-N -1 0 319.317 -0.082 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2cnc(C3CC3)o2)c1=O ZINC001606221531 1018744658 /nfs/dbraw/zinc/74/46/58/1018744658.db2.gz HJANSHYCVYRTMD-UHFFFAOYSA-N -1 0 315.293 -0.359 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@H]3C[C@H]32)n(C)c1=O ZINC001606217523 1018744916 /nfs/dbraw/zinc/74/49/16/1018744916.db2.gz LZXZSNKDNYVLRN-JGVFFNPUSA-N -1 0 303.326 -0.747 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001606174570 1018745497 /nfs/dbraw/zinc/74/54/97/1018745497.db2.gz XRVSLKJUQHLGAY-UHFFFAOYSA-N -1 0 304.306 -0.061 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCc2nccs2)n(C)c1=O ZINC001606218175 1018745947 /nfs/dbraw/zinc/74/59/47/1018745947.db2.gz CZDNBRMYNXPSMH-UHFFFAOYSA-N -1 0 320.338 -0.667 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CC(=O)N(CCC(F)(F)F)C2)C1=O ZINC001606232039 1018756921 /nfs/dbraw/zinc/75/69/21/1018756921.db2.gz OXHAJLIHVDDTTI-MRVPVSSYSA-N -1 0 323.271 -0.274 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)C1=O ZINC001606232739 1018762586 /nfs/dbraw/zinc/76/25/86/1018762586.db2.gz YDWHXQHGFCPQDS-CFZCINTLSA-N -1 0 300.380 -0.343 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NCC(=O)N1CCN(C)CC1 ZINC001606233428 1018765919 /nfs/dbraw/zinc/76/59/19/1018765919.db2.gz PVGUQINBOCHCJP-UHFFFAOYSA-N -1 0 308.338 -0.773 20 0 DBADRM CN(C(=O)CN1CCN(C)C[C@H]1CO)c1ccccc1C(=O)[O-] ZINC001606239324 1018769930 /nfs/dbraw/zinc/76/99/30/1018769930.db2.gz NINFCRXIJBXOQC-LBPRGKRZSA-N -1 0 321.377 -0.044 20 0 DBADRM CN1CCN([C@H](C(=O)NC[C@H](O)C(=O)[O-])c2ccccc2)CC1 ZINC001606238245 1018771977 /nfs/dbraw/zinc/77/19/77/1018771977.db2.gz QNSLRJNPWGNSMM-KBPBESRZSA-N -1 0 321.377 -0.463 20 0 DBADRM CN1CCN(C)[C@@H](CNS(=O)(=O)CCCCCC(=O)[O-])C1 ZINC001606237230 1018773252 /nfs/dbraw/zinc/77/32/52/1018773252.db2.gz AOCYHFBUQUSFLN-LBPRGKRZSA-N -1 0 321.443 -0.203 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)C1=O ZINC001606249188 1018775393 /nfs/dbraw/zinc/77/53/93/1018775393.db2.gz HGNRMSFVCAHXKU-WFASDCNBSA-N -1 0 321.333 -0.255 20 0 DBADRM CN1CCO[C@H](C(=O)N2CCSC[C@@H]2CC(=O)[O-])C1=O ZINC001606249147 1018775630 /nfs/dbraw/zinc/77/56/30/1018775630.db2.gz GPJHWLZUYMDONM-WPRPVWTQSA-N -1 0 302.352 -0.738 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)c2c[nH]cc(Cl)c2=O)C1=O ZINC001606248320 1018775721 /nfs/dbraw/zinc/77/57/21/1018775721.db2.gz UPPBXXBXKAKCEI-QMMMGPOBSA-N -1 0 314.681 -0.129 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NC[C@@H](O)c2cccnc2)C1=O ZINC001606252386 1018778835 /nfs/dbraw/zinc/77/88/35/1018778835.db2.gz XYIJWFQCEZZMBE-VXGBXAGGSA-N -1 0 321.333 -0.446 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NC[C@@H](CO)CC2CC2)C1=O ZINC001606251239 1018778912 /nfs/dbraw/zinc/77/89/12/1018778912.db2.gz NPYTZAAPQLRRKF-RYUDHWBXSA-N -1 0 312.366 -0.166 20 0 DBADRM CN1CCn2nc(NC(=O)Cn3cc(C(=O)[O-])cn3)cc2C1 ZINC001606252497 1018779345 /nfs/dbraw/zinc/77/93/45/1018779345.db2.gz OEWJQQWOGSUPIV-UHFFFAOYSA-N -1 0 304.310 -0.138 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NC2CCC(CO)CC2)C1=O ZINC001606251988 1018779573 /nfs/dbraw/zinc/77/95/73/1018779573.db2.gz USWZPVLTHSZKPE-MCIGGMRASA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NC[C@H](O)c2cccnc2)C1=O ZINC001606252385 1018779675 /nfs/dbraw/zinc/77/96/75/1018779675.db2.gz XYIJWFQCEZZMBE-RYUDHWBXSA-N -1 0 321.333 -0.446 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC001606249706 1018779788 /nfs/dbraw/zinc/77/97/88/1018779788.db2.gz MHQZZZNXANVKQH-MCIGGMRASA-N -1 0 320.411 -0.120 20 0 DBADRM CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001606251592 1018780171 /nfs/dbraw/zinc/78/01/71/1018780171.db2.gz WWNGDNQHKDXKRI-OUAUKWLOSA-N -1 0 306.384 -0.558 20 0 DBADRM CN1CCO[C@@H](C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1=O ZINC001606251200 1018780422 /nfs/dbraw/zinc/78/04/22/1018780422.db2.gz VBOISCCBXTVRCE-UEKVPHQBSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCCCn2cccn2)C1=O ZINC001606251696 1018780587 /nfs/dbraw/zinc/78/05/87/1018780587.db2.gz OWTKJNMKZRGHFP-NSHDSACASA-N -1 0 308.338 -0.287 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)NC2(C(=O)[O-])CCCC2)C1 ZINC001606250242 1018780645 /nfs/dbraw/zinc/78/06/45/1018780645.db2.gz OOMDIUKELNUJHT-SNVBAGLBSA-N -1 0 306.384 -0.366 20 0 DBADRM Cn1ccc(NC(=O)Cc2ccc(-c3nn[nH]n3)nc2)nc1=O ZINC001606250566 1018781039 /nfs/dbraw/zinc/78/10/39/1018781039.db2.gz SZWYAWBXNRQLMO-UHFFFAOYSA-N -1 0 312.293 -0.629 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NC[C@@H](O)c2cccnc2)C1=O ZINC001606252384 1018781257 /nfs/dbraw/zinc/78/12/57/1018781257.db2.gz XYIJWFQCEZZMBE-NWDGAFQWSA-N -1 0 321.333 -0.446 20 0 DBADRM Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)n1 ZINC001606253551 1018781750 /nfs/dbraw/zinc/78/17/50/1018781750.db2.gz DYKUSNHYCDNRML-UHFFFAOYSA-N -1 0 306.311 -0.204 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)CO[C@H]2CCOC2)C1=O ZINC001606257065 1018782424 /nfs/dbraw/zinc/78/24/24/1018782424.db2.gz HYCPQDRNQZNBOA-QWRGUYRKSA-N -1 0 314.338 -0.626 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1=O ZINC001606255767 1018782614 /nfs/dbraw/zinc/78/26/14/1018782614.db2.gz RIQMXNNZUSMDHQ-NXEZZACHSA-N -1 0 311.338 -0.763 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1=O ZINC001606256395 1018782628 /nfs/dbraw/zinc/78/26/28/1018782628.db2.gz YTKAIQQOUFBAGE-LLVKDONJSA-N -1 0 307.306 -0.485 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)OCC(=O)N2CCCC2)C1=O ZINC001606253332 1018783660 /nfs/dbraw/zinc/78/36/60/1018783660.db2.gz OSPCLIPGVTWCSK-JTQLQIEISA-N -1 0 312.322 -0.525 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](N=c2ncnc3[nH][nH]cc2-3)C1=O ZINC001606258710 1018784211 /nfs/dbraw/zinc/78/42/11/1018784211.db2.gz IRSPJDMWZDHZCF-SECBINFHSA-N -1 0 304.310 -0.396 20 0 DBADRM O=C([O-])CN1CCCC[C@H](N2C(=O)[C@H]3CCCN3C2=O)C1=O ZINC001606257869 1018784406 /nfs/dbraw/zinc/78/44/06/1018784406.db2.gz QNOJUSTWHOPYGI-ZJUUUORDSA-N -1 0 309.322 -0.121 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001606264140 1018785101 /nfs/dbraw/zinc/78/51/01/1018785101.db2.gz VOMVCBUCLLWTJB-MMWGEVLESA-N -1 0 313.354 -0.622 20 0 DBADRM O=C([O-])CNC(=O)C[S@@](=O)Cc1nncn1-c1ccccc1 ZINC001606264500 1018786012 /nfs/dbraw/zinc/78/60/12/1018786012.db2.gz HAVHRXNYZHODGW-QFIPXVFZSA-N -1 0 322.346 -0.283 20 0 DBADRM CNC(=O)C1(NC(=O)Cn2cccc(C(=O)[O-])c2=O)CCCC1 ZINC001606264555 1018786486 /nfs/dbraw/zinc/78/64/86/1018786486.db2.gz XZKFCLIRRGWANJ-UHFFFAOYSA-N -1 0 321.333 -0.279 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001606264356 1018787276 /nfs/dbraw/zinc/78/72/76/1018787276.db2.gz GGCREUCUXVBHOP-ZYHUDNBSSA-N -1 0 324.308 -0.469 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(Cn2nc(C(=O)[O-])cc2C(=O)OC)C1 ZINC001606263299 1018787889 /nfs/dbraw/zinc/78/78/89/1018787889.db2.gz JSBXNOLVLGDOEK-AWEZNQCLSA-N -1 0 324.337 -0.217 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CCO1 ZINC001606266695 1018788948 /nfs/dbraw/zinc/78/89/48/1018788948.db2.gz ZDNXNVIBLDGIAQ-HBNTYKKESA-N -1 0 313.354 -0.214 20 0 DBADRM CNC(=O)C1CN(C(=O)Nc2nc3n(c2C(=O)[O-])CCC3)C1 ZINC001606266104 1018789740 /nfs/dbraw/zinc/78/97/40/1018789740.db2.gz IJRYGYKJVHONFA-UHFFFAOYSA-N -1 0 307.310 -0.263 20 0 DBADRM CNC(=O)CCCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001606269628 1018790378 /nfs/dbraw/zinc/79/03/78/1018790378.db2.gz NBOUNSAMVSCNJR-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM CNC(=O)CCCN(C)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001606269644 1018790835 /nfs/dbraw/zinc/79/08/35/1018790835.db2.gz NSATVXACNOOKMT-UHFFFAOYSA-N -1 0 317.367 -0.130 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)Nc2cccc(C(=O)[O-])n2)CCO1 ZINC001606266254 1018791286 /nfs/dbraw/zinc/79/12/86/1018791286.db2.gz NRLBDFZTUIYTPC-VIFPVBQESA-N -1 0 308.294 -0.242 20 0 DBADRM CNC(=O)CCCN(C)C(=O)COCc1ocnc1C(=O)[O-] ZINC001606269572 1018791703 /nfs/dbraw/zinc/79/17/03/1018791703.db2.gz KZZLJKLJHBUHQU-UHFFFAOYSA-N -1 0 313.310 -0.126 20 0 DBADRM CNC(=O)CC1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC001606268654 1018792111 /nfs/dbraw/zinc/79/21/11/1018792111.db2.gz ZRRZXUQJFFDUBW-UHFFFAOYSA-N -1 0 308.338 -0.044 20 0 DBADRM CNC(=O)CCCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001606269629 1018792360 /nfs/dbraw/zinc/79/23/60/1018792360.db2.gz NBOUNSAMVSCNJR-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM CNC(=O)CN1CCCN(C(=O)c2ccc(C(=O)[O-])n2C)CC1 ZINC001606271774 1018795673 /nfs/dbraw/zinc/79/56/73/1018795673.db2.gz ZYIVUKMXQYUJPW-UHFFFAOYSA-N -1 0 322.365 -0.383 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1C(=O)[O-] ZINC001606270651 1018796711 /nfs/dbraw/zinc/79/67/11/1018796711.db2.gz JHGHKDYJBKXXNC-UHFFFAOYSA-N -1 0 316.335 -0.240 20 0 DBADRM O=C([O-])COCC(=O)N1CC2(CCOCC2)CC[C@@H]1CO ZINC001606274078 1018797594 /nfs/dbraw/zinc/79/75/94/1018797594.db2.gz XBXVOTFAFRSCOW-LLVKDONJSA-N -1 0 301.339 -0.132 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC001606271735 1018798373 /nfs/dbraw/zinc/79/83/73/1018798373.db2.gz YZQGEMZFFZQGBO-UHFFFAOYSA-N -1 0 306.322 -0.716 20 0 DBADRM CNC(=O)N[C@H]1CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1 ZINC001606277591 1018800705 /nfs/dbraw/zinc/80/07/05/1018800705.db2.gz ACVNWJAWTWOCHO-ONGXEEELSA-N -1 0 300.359 -0.785 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCOC2(CCCC2)C1 ZINC001606279265 1018800423 /nfs/dbraw/zinc/80/04/23/1018800423.db2.gz GJVCQYVGMHGYST-UHFFFAOYSA-N -1 0 314.338 -0.625 20 0 DBADRM CNC(=O)Cc1noc(CN[C@H](C[C@@H]2CCCO2)C(=O)[O-])n1 ZINC001606277527 1018800547 /nfs/dbraw/zinc/80/05/47/1018800547.db2.gz PDRCOWLXJSAFKY-DTWKUNHWSA-N -1 0 312.326 -0.530 20 0 DBADRM CNC(=O)NCC(=O)N[C@@H](C)CCNc1ncc(C(=O)[O-])cn1 ZINC001606282046 1018801564 /nfs/dbraw/zinc/80/15/64/1018801564.db2.gz VYLWBCXRMIZYJH-QMMMGPOBSA-N -1 0 324.341 -0.590 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C)/C=C\C(=O)[O-])cn1C ZINC001606283373 1018801689 /nfs/dbraw/zinc/80/16/89/1018801689.db2.gz BPBXUSSLCPTQOR-PULIVWKDSA-N -1 0 315.351 -0.308 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001606283456 1018802231 /nfs/dbraw/zinc/80/22/31/1018802231.db2.gz BQIIIVPRZUFPAJ-LURJTMIESA-N -1 0 313.335 -0.056 20 0 DBADRM CNC(=O)NCC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001606282442 1018802334 /nfs/dbraw/zinc/80/23/34/1018802334.db2.gz ZPGMWVMXZSCIDP-NWDGAFQWSA-N -1 0 321.333 -0.052 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001606281419 1018802344 /nfs/dbraw/zinc/80/23/44/1018802344.db2.gz QHJNCEPZJJRAQY-KXUCPTDWSA-N -1 0 314.342 -0.954 20 0 DBADRM CNC(=O)c1ccc(=O)n(CC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001606283609 1018802456 /nfs/dbraw/zinc/80/24/56/1018802456.db2.gz IEOZQXGJJIPOHT-UHFFFAOYSA-N -1 0 321.333 -0.469 20 0 DBADRM CNC(=O)NCC(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC001606281574 1018802507 /nfs/dbraw/zinc/80/25/07/1018802507.db2.gz SBYLNTCCAXMNIT-JTQLQIEISA-N -1 0 313.285 -0.297 20 0 DBADRM CNC(=O)NCC(=O)NC[C@H](Cc1ccccc1OC)C(=O)[O-] ZINC001606280062 1018802522 /nfs/dbraw/zinc/80/25/22/1018802522.db2.gz BVENLHOJZFLAMF-NSHDSACASA-N -1 0 323.349 -0.016 20 0 DBADRM CNC(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001606280340 1018802580 /nfs/dbraw/zinc/80/25/80/1018802580.db2.gz GKNXNUKOCRKSAA-GFCCVEGCSA-N -1 0 307.306 -0.208 20 0 DBADRM Cn1nncc1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001606286242 1018803359 /nfs/dbraw/zinc/80/33/59/1018803359.db2.gz HOJXAZWNIZKJKG-UHFFFAOYSA-N -1 0 303.238 -0.372 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC001606284848 1018803572 /nfs/dbraw/zinc/80/35/72/1018803572.db2.gz OPKKLWMOHUDNKT-RYUDHWBXSA-N -1 0 316.354 -0.029 20 0 DBADRM CNC(=O)c1cccc(OCC(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])c1 ZINC001606289273 1018804017 /nfs/dbraw/zinc/80/40/17/1018804017.db2.gz ATZOJTQCLZOZRW-YPMHNXCESA-N -1 0 322.317 -0.217 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])n1 ZINC001606287641 1018804268 /nfs/dbraw/zinc/80/42/68/1018804268.db2.gz HFXVZSXDXZKSQO-GHMZBOCLSA-N -1 0 307.306 -0.509 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001606292720 1018805395 /nfs/dbraw/zinc/80/53/95/1018805395.db2.gz RBJYZUVPVMHZRK-NSCUHMNNSA-N -1 0 305.290 -0.888 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC001606292821 1018805555 /nfs/dbraw/zinc/80/55/55/1018805555.db2.gz WEUQWZLIRYIXSU-JDEDCZITSA-N -1 0 319.317 -0.499 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1c1ccnc(C(=O)[O-])n1 ZINC001606302374 1018806161 /nfs/dbraw/zinc/80/61/61/1018806161.db2.gz FRNSRKQGERREGI-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001606301681 1018806185 /nfs/dbraw/zinc/80/61/85/1018806185.db2.gz MPSKXRDYTPSQOO-CABZTGNLSA-N -1 0 319.383 -0.568 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCOCC2(CCOCC2)C1 ZINC001606297848 1018806458 /nfs/dbraw/zinc/80/64/58/1018806458.db2.gz WNBJJKWXBHSQAC-UHFFFAOYSA-N -1 0 321.395 -0.385 20 0 DBADRM CNS(=O)(=O)NCC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC001606301363 1018806521 /nfs/dbraw/zinc/80/65/21/1018806521.db2.gz DTXBKKBLGGVMQV-NSHDSACASA-N -1 0 315.351 -0.676 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN[C@H](c1nc[nH]n1)c1ccccc1 ZINC001606297893 1018806680 /nfs/dbraw/zinc/80/66/80/1018806680.db2.gz XPUJNMWDOUAWPR-LBPRGKRZSA-N -1 0 324.362 -0.017 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)O[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001606301840 1018806917 /nfs/dbraw/zinc/80/69/17/1018806917.db2.gz QTCBQIRSKOKJSA-SNVBAGLBSA-N -1 0 320.367 -0.431 20 0 DBADRM CNS(=O)(=O)CCCN1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001606302628 1018807129 /nfs/dbraw/zinc/80/71/29/1018807129.db2.gz KZMPMCPHERCYNG-NXEZZACHSA-N -1 0 322.383 -0.736 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001606302954 1018807702 /nfs/dbraw/zinc/80/77/02/1018807702.db2.gz OYSDZTVPODQTPK-KXUCPTDWSA-N -1 0 319.383 -0.570 20 0 DBADRM CNc1cnc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)OC)cn1 ZINC001606313507 1018807714 /nfs/dbraw/zinc/80/77/14/1018807714.db2.gz RUKCIKBUDXZJFN-SCZZXKLOSA-N -1 0 322.321 -0.003 20 0 DBADRM O=C([O-])CSCC(=O)OC[C@H]1CCc2nnnn2CC1 ZINC001606306149 1018807859 /nfs/dbraw/zinc/80/78/59/1018807859.db2.gz NYFZTCSXVKNBIT-QMMMGPOBSA-N -1 0 300.340 -0.013 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1c1cnc(C(=O)[O-])cn1 ZINC001606303178 1018808068 /nfs/dbraw/zinc/80/80/68/1018808068.db2.gz VHNVSBXRGKBSMS-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM CNc1nc(C)ccc1C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001606314132 1018808497 /nfs/dbraw/zinc/80/84/97/1018808497.db2.gz IXEYYWHAJYIWSA-SNVBAGLBSA-N -1 0 304.310 -0.094 20 0 DBADRM COC(=O)[C@](C)(CO)NS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001606318861 1018809076 /nfs/dbraw/zinc/80/90/76/1018809076.db2.gz RPJAFCONUQTKCZ-JTQLQIEISA-N -1 0 309.340 -0.915 20 0 DBADRM CNc1nnc(CC(=O)N(CC(=O)[O-])CC(=O)OC)s1 ZINC001606315364 1018809569 /nfs/dbraw/zinc/80/95/69/1018809569.db2.gz QUVBOUQWWHIQRE-UHFFFAOYSA-N -1 0 302.312 -0.792 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](C)Sc1nncn1C ZINC001606322445 1018809645 /nfs/dbraw/zinc/80/96/45/1018809645.db2.gz DGFAWRBNMYTQAM-NKWVEPMBSA-N -1 0 316.339 -0.572 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)c1cccs1 ZINC001606324056 1018810152 /nfs/dbraw/zinc/81/01/52/1018810152.db2.gz PXCCIFPPQXFCIF-ZETCQYMHSA-N -1 0 314.319 -0.390 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)COc1ccc(C(N)=O)cc1 ZINC001606323132 1018809860 /nfs/dbraw/zinc/80/98/60/1018809860.db2.gz GNJBZBKKRBEWIQ-SNVBAGLBSA-N -1 0 324.289 -0.703 20 0 DBADRM COC(=O)[C@](C)(CO)NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001606317799 1018809964 /nfs/dbraw/zinc/80/99/64/1018809964.db2.gz DEKXXSWWQJALSJ-AWEZNQCLSA-N -1 0 310.306 -0.163 20 0 DBADRM O=C([O-])Cc1noc(C2=CN3CCS(=O)(=O)N=C3C=C2)n1 ZINC001606325820 1018810590 /nfs/dbraw/zinc/81/05/90/1018810590.db2.gz VWKVYPUEJHTVFZ-UHFFFAOYSA-N -1 0 310.291 -0.349 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)N1CCCC[C@@H]1C ZINC001606326609 1018810770 /nfs/dbraw/zinc/81/07/70/1018810770.db2.gz ZNQDFFFQSWRRTQ-IUCAKERBSA-N -1 0 308.356 -0.289 20 0 DBADRM COC(=O)[C@H](C[C@H]1CCCO1)N[C@H](C)C(=O)NCC(=O)[O-] ZINC001606329804 1018810969 /nfs/dbraw/zinc/81/09/69/1018810969.db2.gz FHXUKKXNJAJEQW-BBBLOLIVSA-N -1 0 302.327 -0.724 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)nn1 ZINC001606326097 1018811288 /nfs/dbraw/zinc/81/12/88/1018811288.db2.gz JUFWTDXOSFIAFG-NEPJUHHUSA-N -1 0 323.353 -0.966 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCOC[C@H]2C(F)(F)F)nn1 ZINC001606326919 1018811437 /nfs/dbraw/zinc/81/14/37/1018811437.db2.gz ZYKWPRQRTFTDSF-ZETCQYMHSA-N -1 0 308.216 -0.234 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NC[C@H](O)C2CCC2)n1 ZINC001606341644 1018812240 /nfs/dbraw/zinc/81/22/40/1018812240.db2.gz XYBVNAJZBGHXLU-VIFPVBQESA-N -1 0 310.310 -0.817 20 0 DBADRM O=C([O-])Cn1cc(COC(=O)[C@H]2CCc3n[nH]cc3C2)nn1 ZINC001606339066 1018812379 /nfs/dbraw/zinc/81/23/79/1018812379.db2.gz KWPJUNCGDHBUJH-QMMMGPOBSA-N -1 0 305.294 -0.066 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCCCOC[C@H]2CCOC2)nn1 ZINC001606331772 1018812601 /nfs/dbraw/zinc/81/26/01/1018812601.db2.gz VYDXDCBHWWWQAA-SNVBAGLBSA-N -1 0 312.326 -0.464 20 0 DBADRM COC(=O)[C@H](CF)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001606331417 1018813071 /nfs/dbraw/zinc/81/30/71/1018813071.db2.gz GQEKNEGFNUIASO-YFKPBYRVSA-N -1 0 309.275 -0.794 20 0 DBADRM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1C[C@H](O)C[C@H]1C(N)=O ZINC001606345431 1018813346 /nfs/dbraw/zinc/81/33/46/1018813346.db2.gz YUNPYARQYIHTLM-WOPDTQHZSA-N -1 0 322.317 -0.481 20 0 DBADRM COC(=O)[C@@]1(NS(=O)(=O)CCCCCC(=O)[O-])CCOC1 ZINC001606354825 1018815396 /nfs/dbraw/zinc/81/53/96/1018815396.db2.gz WSEWFNKYLJFTHR-GFCCVEGCSA-N -1 0 323.367 -0.117 20 0 DBADRM COC(=O)[C@]1(OC)CC[N@H+](CCc2cn(CC(=O)[O-])nn2)C1 ZINC001606357952 1018815492 /nfs/dbraw/zinc/81/54/92/1018815492.db2.gz VZRBMKAANCKKPP-ZDUSSCGKSA-N -1 0 312.326 -0.831 20 0 DBADRM COC(=O)[C@]1(NCC(=O)N[C@H](C(=O)[O-])C(C)C)CCOC1 ZINC001606354803 1018815516 /nfs/dbraw/zinc/81/55/16/1018815516.db2.gz VUXHFKPLWWJKNP-GWCFXTLKSA-N -1 0 302.327 -0.867 20 0 DBADRM COC(=O)C1(NC(=O)c2nccnc2N)CCC(C(=O)[O-])CC1 ZINC001606354958 1018815647 /nfs/dbraw/zinc/81/56/47/1018815647.db2.gz YMPZFPCCDFAGEB-UHFFFAOYSA-N -1 0 322.321 -0.025 20 0 DBADRM COC(=O)[C@@]1(NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCOC1 ZINC001606354835 1018815841 /nfs/dbraw/zinc/81/58/41/1018815841.db2.gz XDYBKUXFISZKFI-VHSKPIJISA-N -1 0 307.324 -0.899 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)COCc2cc[nH]c(=O)c2)n1 ZINC001606353773 1018816349 /nfs/dbraw/zinc/81/63/49/1018816349.db2.gz IBJZRSISLMVNKM-UHFFFAOYSA-N -1 0 307.266 -0.381 20 0 DBADRM COC(=O)C1(O)CN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)C1 ZINC001606357978 1018816497 /nfs/dbraw/zinc/81/64/97/1018816497.db2.gz XGSDZCWIUIQMRV-UHFFFAOYSA-N -1 0 321.351 -0.819 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cn1cccnc1=O ZINC001606369833 1018817313 /nfs/dbraw/zinc/81/73/13/1018817313.db2.gz HVBZHMZVCZGLOI-ZJUUUORDSA-N -1 0 323.305 -0.892 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001606372782 1018817316 /nfs/dbraw/zinc/81/73/16/1018817316.db2.gz ZIJFFICJFOFROK-BBBLOLIVSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1cncc(C(=O)[O-])c1 ZINC001606369920 1018817410 /nfs/dbraw/zinc/81/74/10/1018817410.db2.gz GKEOXYAZKPWMCA-MNOVXSKESA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1cncc(C(=O)[O-])c1 ZINC001606369921 1018817832 /nfs/dbraw/zinc/81/78/32/1018817832.db2.gz GKEOXYAZKPWMCA-QWRGUYRKSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@@]1(F)CCOC1 ZINC001606382237 1018819348 /nfs/dbraw/zinc/81/93/48/1018819348.db2.gz PKIBYIKJPLFUHG-VYUIOLGVSA-N -1 0 303.286 -0.020 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C[C@H](O)C1(O)CCCC1 ZINC001606376133 1018819366 /nfs/dbraw/zinc/81/93/66/1018819366.db2.gz VRFBUBBAJYOMBI-WOPDTQHZSA-N -1 0 315.366 -0.009 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1ccnn1C ZINC001606384294 1018819863 /nfs/dbraw/zinc/81/98/63/1018819863.db2.gz NVSFJOQLGZGCDR-KOLCDFICSA-N -1 0 309.322 -0.173 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCN(C2CC2)C(=O)C1 ZINC001606388014 1018820638 /nfs/dbraw/zinc/82/06/38/1018820638.db2.gz GAQUKIJPPDQHFV-JTQLQIEISA-N -1 0 317.367 -0.913 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cnncc1O ZINC001606386001 1018820830 /nfs/dbraw/zinc/82/08/30/1018820830.db2.gz MGPPESDLYXUOAO-IONNQARKSA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001606388350 1018821132 /nfs/dbraw/zinc/82/11/32/1018821132.db2.gz MSNOYBFMDUIMQH-IVZWLZJFSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C[C@@H](O)CC(C)(C)O ZINC001606386280 1018821168 /nfs/dbraw/zinc/82/11/68/1018821168.db2.gz NIFDCLQZEVKKDF-DCAQKATOSA-N -1 0 303.355 -0.154 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1nnc(C)o1 ZINC001606386221 1018821191 /nfs/dbraw/zinc/82/11/91/1018821191.db2.gz YSUAUVDVHCZFJU-RKDXNWHRSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1nnc2n1CCOC2 ZINC001606391454 1018821255 /nfs/dbraw/zinc/82/12/55/1018821255.db2.gz WWKIBTYXYYYAIR-NXEZZACHSA-N -1 0 324.337 -0.354 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)Cn2cccnc2=O)C1 ZINC001606391904 1018821635 /nfs/dbraw/zinc/82/16/35/1018821635.db2.gz JTHAWCCUQDRGDB-VHSXEESVSA-N -1 0 323.305 -0.892 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cnc(C)nc2N)C1 ZINC001606395277 1018822167 /nfs/dbraw/zinc/82/21/67/1018822167.db2.gz VXVPLMUACNTCMU-WPRPVWTQSA-N -1 0 322.321 -0.154 20 0 DBADRM COC(=O)C1CCC(S(=O)(=O)NC[C@H](O)C(=O)[O-])CC1 ZINC001606400393 1018823860 /nfs/dbraw/zinc/82/38/60/1018823860.db2.gz KTGLEGZGKNKCIX-HACHORDNSA-N -1 0 309.340 -0.917 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N2CC[C@H](C(=O)[O-])C2)C1=O ZINC001606402864 1018823882 /nfs/dbraw/zinc/82/38/82/1018823882.db2.gz CAHIZJVKAYNRID-VHSXEESVSA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCc2cn[nH]n2)[C@H](C(=O)[O-])C1 ZINC001606402952 1018824262 /nfs/dbraw/zinc/82/42/62/1018824262.db2.gz IHIAYRGRFVYXHF-WPRPVWTQSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CN2CCOC2=O)[C@H](C(=O)[O-])C1 ZINC001606402447 1018824355 /nfs/dbraw/zinc/82/43/55/1018824355.db2.gz DHKZUNNVWPREBT-BDAKNGLRSA-N -1 0 314.294 -0.697 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1 ZINC001606402918 1018824719 /nfs/dbraw/zinc/82/47/19/1018824719.db2.gz HZBKPFRZOBQTAE-NXEZZACHSA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1=O ZINC001606405987 1018826729 /nfs/dbraw/zinc/82/67/29/1018826729.db2.gz XPMNZLOGUTWPLE-ONGXEEELSA-N -1 0 314.338 -0.377 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)[C@@H](C(=O)[O-])C1 ZINC001606406355 1018827166 /nfs/dbraw/zinc/82/71/66/1018827166.db2.gz DYHAPUDDJLSADC-HTQZYQBOSA-N -1 0 311.294 -0.396 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H](CC(C)C)C(N)=O)C[C@@H]1C(=O)[O-] ZINC001606415666 1018828536 /nfs/dbraw/zinc/82/85/36/1018828536.db2.gz HVTARWAPANXPQZ-KXUCPTDWSA-N -1 0 314.338 -0.534 20 0 DBADRM COC(=O)[C@H]1CCS(=O)(=O)N1Cc1nc(C(=O)[O-])cs1 ZINC001606415533 1018828678 /nfs/dbraw/zinc/82/86/78/1018828678.db2.gz HCHSLTRCWUULFO-SSDOTTSWSA-N -1 0 320.348 -0.082 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)CCCC(=O)N1CC[C@H]1C(=O)[O-] ZINC001606416547 1018829327 /nfs/dbraw/zinc/82/93/27/1018829327.db2.gz NMXYFOJXTRNEAK-UWVGGRQHSA-N -1 0 312.322 -0.384 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCCF)C[C@H]1C(=O)[O-] ZINC001606418162 1018829444 /nfs/dbraw/zinc/82/94/44/1018829444.db2.gz WNLFNBZFAHPSKJ-RKDXNWHRSA-N -1 0 318.301 -0.863 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)CCCC(=O)N1CC[C@@H]1C(=O)[O-] ZINC001606416549 1018829740 /nfs/dbraw/zinc/82/97/40/1018829740.db2.gz NMXYFOJXTRNEAK-ZJUUUORDSA-N -1 0 312.322 -0.384 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@@H]1C(=O)[O-] ZINC001606417680 1018830152 /nfs/dbraw/zinc/83/01/52/1018830152.db2.gz RVBOANMWWJBGRK-QIBSRJKCSA-N -1 0 312.322 -0.765 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@@H]1C(=O)[O-] ZINC001606417806 1018830346 /nfs/dbraw/zinc/83/03/46/1018830346.db2.gz JPMVOKGEVPQCIV-DTWKUNHWSA-N -1 0 300.311 -0.636 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc[n+]([O-])c2)C[C@@H]1C(=O)[O-] ZINC001606422470 1018830782 /nfs/dbraw/zinc/83/07/82/1018830782.db2.gz MWXFGWSTCBUJRL-UWVGGRQHSA-N -1 0 309.278 -0.343 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2c(C)c(C)n[nH]c2=O)C[C@@H]1C(=O)[O-] ZINC001606420898 1018830900 /nfs/dbraw/zinc/83/09/00/1018830900.db2.gz JQQNLJHWWMMUOQ-IUCAKERBSA-N -1 0 323.305 -0.255 20 0 DBADRM NC(=O)NC[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001606422006 1018831229 /nfs/dbraw/zinc/83/12/29/1018831229.db2.gz DASXVGKIHBXEOM-MRVPVSSYSA-N -1 0 303.330 -0.459 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@H]1C(=O)[O-] ZINC001606420449 1018831575 /nfs/dbraw/zinc/83/15/75/1018831575.db2.gz UWEXGTJVFRHXPE-GHMZBOCLSA-N -1 0 309.322 -0.397 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2cc(=O)n(C)cn2)C[C@@H]1C(=O)[O-] ZINC001606420346 1018832147 /nfs/dbraw/zinc/83/21/47/1018832147.db2.gz GUJBNEZGMWSRFP-YUMQZZPRSA-N -1 0 324.293 -0.882 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@H]1C(=O)[O-] ZINC001606425204 1018832424 /nfs/dbraw/zinc/83/24/24/1018832424.db2.gz GCPZHSQDHMOADN-HTQZYQBOSA-N -1 0 309.278 -0.569 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2nnc(C3CC3)o2)C[C@H]1C(=O)[O-] ZINC001606424696 1018832904 /nfs/dbraw/zinc/83/29/04/1018832904.db2.gz ABXSHYRPURAZFK-SFYZADRCSA-N -1 0 309.278 -0.107 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NC[C@H]2C[C@H](OC)C2)C[C@@H]1C(=O)[O-] ZINC001606425015 1018833217 /nfs/dbraw/zinc/83/32/17/1018833217.db2.gz ZGPFFMMLJUPZAB-NAKRPEOUSA-N -1 0 314.338 -0.073 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NOC[C@@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001606423811 1018833495 /nfs/dbraw/zinc/83/34/95/1018833495.db2.gz SINSPXPBCDSQRL-OPRDCNLKSA-N -1 0 316.310 -0.530 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(=O)n(C)c2)C[C@H]1C(=O)[O-] ZINC001606424815 1018833621 /nfs/dbraw/zinc/83/36/21/1018833621.db2.gz YBHHFUZZIMFVCR-ZJUUUORDSA-N -1 0 323.305 -0.277 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@@H]1C(=O)[O-] ZINC001606426750 1018834113 /nfs/dbraw/zinc/83/41/13/1018834113.db2.gz SRVYVSYXHCPMKW-JGVFFNPUSA-N -1 0 311.294 -0.626 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@H]1C(=O)[O-] ZINC001606426747 1018834649 /nfs/dbraw/zinc/83/46/49/1018834649.db2.gz SRVYVSYXHCPMKW-HTQZYQBOSA-N -1 0 311.294 -0.626 20 0 DBADRM COC(=O)[C@H]1CSCCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1 ZINC001606429051 1018834907 /nfs/dbraw/zinc/83/49/07/1018834907.db2.gz LEHGOHKFTPVHNB-BDAKNGLRSA-N -1 0 318.351 -0.313 20 0 DBADRM COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1ccc(C(=O)[O-])n1C ZINC001606426291 1018835098 /nfs/dbraw/zinc/83/50/98/1018835098.db2.gz QLBQCNYZSZGAOF-SNVBAGLBSA-N -1 0 323.305 -0.821 20 0 DBADRM COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)COCC(=O)[O-] ZINC001606429412 1018835399 /nfs/dbraw/zinc/83/53/99/1018835399.db2.gz SHABAWUXDHYPCD-GFCCVEGCSA-N -1 0 323.301 -0.080 20 0 DBADRM NC(=O)c1cn(CCOC(=O)c2ccc(-c3nnn[n-]3)o2)nn1 ZINC001606435523 1018836182 /nfs/dbraw/zinc/83/61/82/1018836182.db2.gz UQTAAGMXHCAWAV-UHFFFAOYSA-N -1 0 318.253 -0.993 20 0 DBADRM COC(=O)[C@@H]1CN(Cn2nc3ccccn3c2=O)C[C@H]1C(=O)[O-] ZINC001606430922 1018836602 /nfs/dbraw/zinc/83/66/02/1018836602.db2.gz FPDZNRQWFVVPGR-NXEZZACHSA-N -1 0 320.305 -0.741 20 0 DBADRM COC(=O)C=C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606434763 1018836848 /nfs/dbraw/zinc/83/68/48/1018836848.db2.gz YYIJRJAGABUOCR-YUDCMIJISA-N -1 0 303.296 -0.496 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)C[C@@H]1C(=O)[O-] ZINC001606430947 1018837192 /nfs/dbraw/zinc/83/71/92/1018837192.db2.gz FUCULBBWJBGWQO-KXUCPTDWSA-N -1 0 321.351 -0.842 20 0 DBADRM COC(=O)[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C)C[C@H]1C(=O)[O-] ZINC001606433278 1018837574 /nfs/dbraw/zinc/83/75/74/1018837574.db2.gz VUYLVGKPJFRPRP-IVZWLZJFSA-N -1 0 324.337 -0.371 20 0 DBADRM COC(=O)C[C@@H](NC(=O)Cc1cn(C)nc1Cl)C(=O)[O-] ZINC001606440187 1018838458 /nfs/dbraw/zinc/83/84/58/1018838458.db2.gz IAHVETORSQDVDS-SSDOTTSWSA-N -1 0 303.702 -0.252 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H](C)Sc1nncn1C)C(=O)[O-] ZINC001606438352 1018838660 /nfs/dbraw/zinc/83/86/60/1018838660.db2.gz GUQDRMKCRGQLJZ-NKWVEPMBSA-N -1 0 316.339 -0.572 20 0 DBADRM COC(=O)C[C@@H](NC(=O)COc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC001606439989 1018839024 /nfs/dbraw/zinc/83/90/24/1018839024.db2.gz FQXBTXQGBSCJQK-SNVBAGLBSA-N -1 0 324.289 -0.703 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H](C)N1CCSCC1)C(=O)[O-] ZINC001606439207 1018839347 /nfs/dbraw/zinc/83/93/47/1018839347.db2.gz UATRFPJXOSSRGT-RKDXNWHRSA-N -1 0 304.368 -0.444 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](n3cncn3)C2)C1 ZINC001606441483 1018839360 /nfs/dbraw/zinc/83/93/60/1018839360.db2.gz WMLGXFYKPMRUKV-WDEREUQCSA-N -1 0 321.337 -0.625 20 0 DBADRM COC(=O)CC1(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC001606446813 1018839820 /nfs/dbraw/zinc/83/98/20/1018839820.db2.gz NJPJQTKYUPGCRI-UHFFFAOYSA-N -1 0 317.323 -0.658 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)N[C@@H]2CCc3nnnn3CC2)C1 ZINC001606445900 1018839890 /nfs/dbraw/zinc/83/98/90/1018839890.db2.gz DAUZUFLNEVFAPQ-VHSXEESVSA-N -1 0 308.342 -0.116 20 0 DBADRM COC(=O)CC1(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CC1 ZINC001606443168 1018840410 /nfs/dbraw/zinc/84/04/10/1018840410.db2.gz MSOLRTRRZAWPCX-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001606442923 1018840442 /nfs/dbraw/zinc/84/04/42/1018840442.db2.gz BLHSHWXLGDWZFR-KXUCPTDWSA-N -1 0 303.311 -0.561 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001606443621 1018840571 /nfs/dbraw/zinc/84/05/71/1018840571.db2.gz YGOZTVLYBXVROV-SECBINFHSA-N -1 0 313.310 -0.598 20 0 DBADRM COC(=O)C[C@H]1COCCN1C(=O)CCSCC(=O)[O-] ZINC001606447376 1018840603 /nfs/dbraw/zinc/84/06/03/1018840603.db2.gz NUGNAUKHONVUKY-VIFPVBQESA-N -1 0 305.352 -0.015 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001606443212 1018840959 /nfs/dbraw/zinc/84/09/59/1018840959.db2.gz OHFGHBZIFWHOMO-VIFPVBQESA-N -1 0 311.294 -0.246 20 0 DBADRM COC(=O)CCCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001606452701 1018841462 /nfs/dbraw/zinc/84/14/62/1018841462.db2.gz CDROOLFUKXSXHN-ZJUUUORDSA-N -1 0 302.327 -0.193 20 0 DBADRM COC(=O)CC[C@@H](C(=O)[O-])N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC001606448428 1018841623 /nfs/dbraw/zinc/84/16/23/1018841623.db2.gz KMVXXDVEVCDZNB-UTLUCORTSA-N -1 0 303.311 -0.345 20 0 DBADRM COC(=O)CCNC(=O)c1cncc(C(=O)NCCC(=O)[O-])c1 ZINC001606455209 1018842029 /nfs/dbraw/zinc/84/20/29/1018842029.db2.gz NTYXBGIVRZDHJM-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001606452948 1018842098 /nfs/dbraw/zinc/84/20/98/1018842098.db2.gz KFSMIVTUNOTMOH-ZDUSSCGKSA-N -1 0 300.311 -0.621 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)c1cc(C(=O)[O-])ccn1 ZINC001606454876 1018842130 /nfs/dbraw/zinc/84/21/30/1018842130.db2.gz IFFSQUULKMJCKF-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM COC(=O)CCCCNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001606452700 1018842283 /nfs/dbraw/zinc/84/22/83/1018842283.db2.gz CDROOLFUKXSXHN-VHSXEESVSA-N -1 0 302.327 -0.193 20 0 DBADRM COC(=O)CCCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001606453265 1018842593 /nfs/dbraw/zinc/84/25/93/1018842593.db2.gz KERWYQOOIPBHHN-QMMMGPOBSA-N -1 0 307.324 -0.960 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1)C(=O)[O-] ZINC001606458777 1018844172 /nfs/dbraw/zinc/84/41/72/1018844172.db2.gz RWGJQNOCFLTIST-IVZWLZJFSA-N -1 0 314.338 -0.199 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)[C@@H]2C[C@]2(C(C)C)C1=O ZINC001606468109 1018844827 /nfs/dbraw/zinc/84/48/27/1018844827.db2.gz QWMWYYQRUCFMGX-LKFCYVNXSA-N -1 0 312.322 -0.465 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C[C@@H](c2cccnc2)CC1=O ZINC001606467940 1018845033 /nfs/dbraw/zinc/84/50/33/1018845033.db2.gz KRGGZDBLZZUYPL-LBPRGKRZSA-N -1 0 321.333 -0.085 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cncc(Cl)c1 ZINC001606468588 1018845059 /nfs/dbraw/zinc/84/50/59/1018845059.db2.gz MZCZDOQYHAKDPN-UHFFFAOYSA-N -1 0 322.726 -0.017 20 0 DBADRM O=C(C1CC1)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[nH]n2)cn1 ZINC001606466875 1018845083 /nfs/dbraw/zinc/84/50/83/1018845083.db2.gz COKHJBQXKHBPHZ-UWVGGRQHSA-N -1 0 312.337 -0.144 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)CCC[C@@H]1CCOC1 ZINC001606468841 1018845321 /nfs/dbraw/zinc/84/53/21/1018845321.db2.gz XZXVSRKVGRZOCI-SNVBAGLBSA-N -1 0 323.367 -0.308 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001606470902 1018845383 /nfs/dbraw/zinc/84/53/83/1018845383.db2.gz MVGSMOYKZWQATB-NSCUHMNNSA-N -1 0 310.262 -0.604 20 0 DBADRM COC(=O)C[C@@H](OC(=O)CN(C)[C@H]1CCSC1)C(=O)[O-] ZINC001606476374 1018846630 /nfs/dbraw/zinc/84/66/30/1018846630.db2.gz GPCURSSINQXEBW-DTWKUNHWSA-N -1 0 305.352 -0.017 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)N1CCSC[C@@H]1CC(=O)[O-] ZINC001606471522 1018847101 /nfs/dbraw/zinc/84/71/01/1018847101.db2.gz IFKCDMYWJYVUEH-BDAKNGLRSA-N -1 0 304.368 -0.444 20 0 DBADRM COC(=O)CN(Cn1nc(C(=O)[O-])cc1C(=O)OC)C1CC1 ZINC001606471746 1018847214 /nfs/dbraw/zinc/84/72/14/1018847214.db2.gz NEIUCOFRORIZAL-UHFFFAOYSA-N -1 0 311.294 -0.037 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])n1 ZINC001606483985 1018847253 /nfs/dbraw/zinc/84/72/53/1018847253.db2.gz GNVYDUWLYSDYBK-OIBJUYFYSA-N -1 0 312.282 -0.580 20 0 DBADRM COC(=O)N[C@H](C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)C(C)C ZINC001606496010 1018848204 /nfs/dbraw/zinc/84/82/04/1018848204.db2.gz IXLPEMSLVGVSLK-UTLUCORTSA-N -1 0 302.327 -0.339 20 0 DBADRM COC(=O)N(C)CCCC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001606486360 1018848339 /nfs/dbraw/zinc/84/83/39/1018848339.db2.gz LZOHUFQZIUHYBB-ONGXEEELSA-N -1 0 302.327 -0.099 20 0 DBADRM COC(=O)N1CCC(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)CC1 ZINC001606489963 1018848404 /nfs/dbraw/zinc/84/84/04/1018848404.db2.gz HPDXWRHFVSHOQE-UHFFFAOYSA-N -1 0 311.298 -0.151 20 0 DBADRM COC(=O)N[C@H](C(=O)NC[C@]1(C(=O)[O-])CCOC1)C(C)C ZINC001606496086 1018848434 /nfs/dbraw/zinc/84/84/34/1018848434.db2.gz LQMIPUYDBXEJAR-TVQRCGJNSA-N -1 0 302.327 -0.026 20 0 DBADRM COC(=O)NCCCC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1 ZINC001606494479 1018848570 /nfs/dbraw/zinc/84/85/70/1018848570.db2.gz APUUNSHKKGFULD-JTQLQIEISA-N -1 0 301.343 -0.403 20 0 DBADRM COC(=O)NCCCC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001606494531 1018848614 /nfs/dbraw/zinc/84/86/14/1018848614.db2.gz CXXUKROIFPWHAQ-IUCAKERBSA-N -1 0 316.310 -0.545 20 0 DBADRM COC(=O)N1CCCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001606491645 1018848714 /nfs/dbraw/zinc/84/87/14/1018848714.db2.gz LETTZSQZVJKKDB-AOOOYVTPSA-N -1 0 320.367 -0.047 20 0 DBADRM COC(=O)N1CCC(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])CC1 ZINC001606490068 1018848767 /nfs/dbraw/zinc/84/87/67/1018848767.db2.gz SFXVLTMKUZBOGG-QWRGUYRKSA-N -1 0 314.338 -0.099 20 0 DBADRM COC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606516608 1018850864 /nfs/dbraw/zinc/85/08/64/1018850864.db2.gz VWPDIXDDNSZSSP-SSDOTTSWSA-N -1 0 303.296 -0.566 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N[C@](C)(CO)C(=O)[O-])C1 ZINC001606510169 1018850964 /nfs/dbraw/zinc/85/09/64/1018850964.db2.gz ZNIXMIAKCPMYBC-VHSKPIJISA-N -1 0 309.340 -0.917 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001606514099 1018851132 /nfs/dbraw/zinc/85/11/32/1018851132.db2.gz HGKOEFLBPMCFQL-ZYUZMQFOSA-N -1 0 300.311 -0.416 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)[O-])O1 ZINC001606510778 1018851166 /nfs/dbraw/zinc/85/11/66/1018851166.db2.gz WTEVIDQKSQIUOS-AEISUSGSSA-N -1 0 315.322 -0.202 20 0 DBADRM COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1 ZINC001606511550 1018851239 /nfs/dbraw/zinc/85/12/39/1018851239.db2.gz NXXXLWVWGQSMPA-WYCDGMCDSA-N -1 0 303.286 -0.023 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)O1 ZINC001606516714 1018852013 /nfs/dbraw/zinc/85/20/13/1018852013.db2.gz ZRZYCCQHDCWVAX-HSNKUXOKSA-N -1 0 307.249 -0.211 20 0 DBADRM COC(=O)c1c[nH]c(C(=O)[O-])c1NS(=O)(=O)N1CCC1 ZINC001606532142 1018852363 /nfs/dbraw/zinc/85/23/63/1018852363.db2.gz JVNHVZPCDYWLJO-UHFFFAOYSA-N -1 0 303.296 -0.138 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC001606531422 1018853241 /nfs/dbraw/zinc/85/32/41/1018853241.db2.gz GTPUWLNPYDDYHL-MRVPVSSYSA-N -1 0 319.277 -0.452 20 0 DBADRM COC(=O)[C@@]12C[C@@H]1C[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C2 ZINC001606522006 1018853489 /nfs/dbraw/zinc/85/34/89/1018853489.db2.gz UKOFANCXROAZQZ-JXVAYASWSA-N -1 0 305.352 -0.032 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCCO)c1 ZINC001606531784 1018853642 /nfs/dbraw/zinc/85/36/42/1018853642.db2.gz RLEHRWQFICUBDK-UHFFFAOYSA-N -1 0 303.292 -0.558 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C=CC(=O)[O-])n[nH]1 ZINC001606564989 1018855261 /nfs/dbraw/zinc/85/52/61/1018855261.db2.gz UIOSFWCEATUEMO-SYDCGGLASA-N -1 0 303.296 -0.496 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@H]2CNC(=O)c3ccccc32)CCOC1 ZINC001606569393 1018855780 /nfs/dbraw/zinc/85/57/80/1018855780.db2.gz IGMSBCRIROYNFS-XHDPSFHLSA-N -1 0 304.302 -0.127 20 0 DBADRM O=C([O-])C1(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CCOCC1 ZINC001606560504 1018855810 /nfs/dbraw/zinc/85/58/10/1018855810.db2.gz WGXSCAUDHPFIHR-MNOVXSKESA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)NCc2nnc3n2CCNC3=O)C1 ZINC001606566349 1018856032 /nfs/dbraw/zinc/85/60/32/1018856032.db2.gz JLKFIGLCWPJZFJ-QMMMGPOBSA-N -1 0 322.325 -0.972 20 0 DBADRM COC(=O)c1ccc(C(=O)NCCn2cc(C(=O)[O-])nn2)[nH]1 ZINC001606573910 1018856522 /nfs/dbraw/zinc/85/65/22/1018856522.db2.gz DGTOJCOCUSPYLW-UHFFFAOYSA-N -1 0 307.266 -0.479 20 0 DBADRM COC(=O)c1ccc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cn1 ZINC001606586867 1018856587 /nfs/dbraw/zinc/85/65/87/1018856587.db2.gz PDQMMACUWRYLRX-KOLCDFICSA-N -1 0 308.290 -0.543 20 0 DBADRM COC(=O)c1ccc(NC(=O)CN[C@@](C)(CO)C(=O)[O-])cc1 ZINC001606593457 1018856892 /nfs/dbraw/zinc/85/68/92/1018856892.db2.gz KLVDTVHCGPWWDL-AWEZNQCLSA-N -1 0 310.306 -0.163 20 0 DBADRM O=C(COc1ccc(F)nc1-c1nnn[n-]1)N1CC[NH2+]CC1 ZINC001606572136 1018856921 /nfs/dbraw/zinc/85/69/21/1018856921.db2.gz NBTGMXBNWCQSLE-UHFFFAOYSA-N -1 0 307.289 -0.789 20 0 DBADRM COC(=O)c1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cn1 ZINC001606577511 1018856939 /nfs/dbraw/zinc/85/69/39/1018856939.db2.gz JUCKOQRPHAYHDG-UHFFFAOYSA-N -1 0 305.250 -0.134 20 0 DBADRM COC(=O)c1ccc(C(=O)NCC(=O)NCC(=O)[O-])s1 ZINC001606573894 1018856946 /nfs/dbraw/zinc/85/69/46/1018856946.db2.gz CZHSLXAHPISYBC-UHFFFAOYSA-N -1 0 300.292 -0.535 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)N1C[C@@H](O)C[C@H]1CO ZINC001606577615 1018856971 /nfs/dbraw/zinc/85/69/71/1018856971.db2.gz RKVDWOXPAGLTDN-UWVGGRQHSA-N -1 0 319.321 -0.800 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)nc1 ZINC001606572796 1018857007 /nfs/dbraw/zinc/85/70/07/1018857007.db2.gz VHPICZMUZPMPCW-NSHDSACASA-N -1 0 321.333 -0.043 20 0 DBADRM O=C(CSc1cccc[n+]1[O-])Nc1n[nH]cc1-c1nn[nH]n1 ZINC001606584724 1018857064 /nfs/dbraw/zinc/85/70/64/1018857064.db2.gz DCAKBIVDUGLQST-UHFFFAOYSA-N -1 0 318.322 -0.046 20 0 DBADRM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CCO ZINC001606583005 1018857297 /nfs/dbraw/zinc/85/72/97/1018857297.db2.gz FFDIHULXIKFKFJ-UHFFFAOYSA-N -1 0 317.319 -0.216 20 0 DBADRM COC(=O)c1ccc(CN(C)[C@H](C)C(=O)NCC(=O)[O-])nc1 ZINC001606586614 1018857368 /nfs/dbraw/zinc/85/73/68/1018857368.db2.gz ZQNZOASPFMJJHS-SECBINFHSA-N -1 0 309.322 -0.111 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)N[C@H]1CCNC1=O ZINC001606578450 1018857436 /nfs/dbraw/zinc/85/74/36/1018857436.db2.gz GEHIYBWTNYUXAG-VIFPVBQESA-N -1 0 302.294 -0.750 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cc1 ZINC001606572216 1018857487 /nfs/dbraw/zinc/85/74/87/1018857487.db2.gz KQJVMEHPUSXRQG-LLVKDONJSA-N -1 0 320.301 -0.159 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001606573240 1018857549 /nfs/dbraw/zinc/85/75/49/1018857549.db2.gz OYEIEHVVPKPFFD-WLLOZRIZSA-N -1 0 319.321 -0.754 20 0 DBADRM COC(=O)c1ccc(CCNC(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001606585438 1018857788 /nfs/dbraw/zinc/85/77/88/1018857788.db2.gz BEFANGJDEJWNGR-UHFFFAOYSA-N -1 0 322.317 -0.143 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])n1C ZINC001606571760 1018857814 /nfs/dbraw/zinc/85/78/14/1018857814.db2.gz AZYBSJNINNFBIT-WDEREUQCSA-N -1 0 310.306 -0.138 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NCC1CCCC1 ZINC001606615340 1018858557 /nfs/dbraw/zinc/85/85/57/1018858557.db2.gz QPMLKSNKQHSWKE-UHFFFAOYSA-N -1 0 319.325 -0.565 20 0 DBADRM O=C(Cc1ccc(F)cn1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001606598302 1018858809 /nfs/dbraw/zinc/85/88/09/1018858809.db2.gz SWFOYEZBJMXNEE-UHFFFAOYSA-N -1 0 317.288 -0.649 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN2C[C@@H](O)C[C@@H]2C(=O)[O-])c1 ZINC001606614450 1018859486 /nfs/dbraw/zinc/85/94/86/1018859486.db2.gz SLQZLSFXKQYGLO-NWDGAFQWSA-N -1 0 322.317 -0.069 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN[C@@](C)(CO)C(=O)[O-])n1 ZINC001606614623 1018859491 /nfs/dbraw/zinc/85/94/91/1018859491.db2.gz XQRXCICPPBWQSF-ZDUSSCGKSA-N -1 0 311.294 -0.768 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC001606620209 1018860315 /nfs/dbraw/zinc/86/03/15/1018860315.db2.gz CQEWXEODNIKEGQ-UWVGGRQHSA-N -1 0 318.341 -0.657 20 0 DBADRM COC(=O)c1ccnc(C(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC001606621612 1018860333 /nfs/dbraw/zinc/86/03/33/1018860333.db2.gz FEVRRHQWOOSKKT-UHFFFAOYSA-N -1 0 307.306 -0.289 20 0 DBADRM COC(=O)c1ccnc(S(=O)(=O)NC[C@H](F)C(=O)[O-])c1 ZINC001606621643 1018860515 /nfs/dbraw/zinc/86/05/15/1018860515.db2.gz GPDRLDPIVJGURZ-ZETCQYMHSA-N -1 0 306.271 -0.431 20 0 DBADRM COC(=O)c1cn(C2CN(c3nccnc3C(=O)[O-])C2)nn1 ZINC001606623547 1018860535 /nfs/dbraw/zinc/86/05/35/1018860535.db2.gz ZDXUGVYNNUTKSQ-UHFFFAOYSA-N -1 0 304.266 -0.386 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2CC[C@@](OC)(C(=O)[O-])C2)n1 ZINC001606622478 1018860601 /nfs/dbraw/zinc/86/06/01/1018860601.db2.gz VACQSZDXAZHZRW-ZDUSSCGKSA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)c1cccn(CC(=O)N2CCC[C@@H]2C(=O)[O-])c1=O ZINC001606622094 1018860689 /nfs/dbraw/zinc/86/06/89/1018860689.db2.gz ODUJYIFMZMAOGV-SNVBAGLBSA-N -1 0 308.290 -0.290 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@H](n2cccn2)C1 ZINC001606620789 1018860811 /nfs/dbraw/zinc/86/08/11/1018860811.db2.gz PSYUGTRGEWLTJQ-VIFPVBQESA-N -1 0 314.313 -0.872 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC[C@@H]1CCCS1 ZINC001606620722 1018860873 /nfs/dbraw/zinc/86/08/73/1018860873.db2.gz NWMNHYVYQMIFFM-QMMMGPOBSA-N -1 0 308.371 -0.140 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC[C@H]1CCCS1 ZINC001606620721 1018861394 /nfs/dbraw/zinc/86/13/94/1018861394.db2.gz NWMNHYVYQMIFFM-MRVPVSSYSA-N -1 0 308.371 -0.140 20 0 DBADRM COC(=O)c1csc(NC(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001606631133 1018861817 /nfs/dbraw/zinc/86/18/17/1018861817.db2.gz QJVVMIDKPMYVMI-UHFFFAOYSA-N -1 0 315.307 -0.143 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)N1CC[C@@H]1C(=O)[O-] ZINC001606636881 1018861966 /nfs/dbraw/zinc/86/19/66/1018861966.db2.gz JZWXVOAXBDDTMQ-RXMQYKEDSA-N -1 0 306.321 -0.223 20 0 DBADRM COC(=O)c1nccc(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)n1 ZINC001606635745 1018862145 /nfs/dbraw/zinc/86/21/45/1018862145.db2.gz KJDCKEUBJVLNMY-DTWKUNHWSA-N -1 0 323.305 -0.107 20 0 DBADRM COC(=O)c1cncc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1 ZINC001606627760 1018862148 /nfs/dbraw/zinc/86/21/48/1018862148.db2.gz AKMKOZGSDZFNMQ-WDEREUQCSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)c1cnn(CC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])c1 ZINC001606629277 1018862232 /nfs/dbraw/zinc/86/22/32/1018862232.db2.gz HVGQWQNOMVDEKV-MRVPVSSYSA-N -1 0 317.248 -0.010 20 0 DBADRM COC(=O)c1cncc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1 ZINC001606627757 1018862541 /nfs/dbraw/zinc/86/25/41/1018862541.db2.gz AKMKOZGSDZFNMQ-GHMZBOCLSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)c1cnn(C)c1NC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001606629257 1018862932 /nfs/dbraw/zinc/86/29/32/1018862932.db2.gz GZTSEASRARNION-GFCCVEGCSA-N -1 0 312.282 -0.740 20 0 DBADRM CO[C@H](C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1)c1cnn(C)c1 ZINC001606647816 1018863636 /nfs/dbraw/zinc/86/36/36/1018863636.db2.gz HFKJIGBOMRJXKH-USWWRNFRSA-N -1 0 311.338 -0.039 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@@H](Nc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001606659807 1018863751 /nfs/dbraw/zinc/86/37/51/1018863751.db2.gz SRJRRGQLUJWRNR-WCBMZHEXSA-N -1 0 308.338 -0.062 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001606644871 1018863904 /nfs/dbraw/zinc/86/39/04/1018863904.db2.gz HHDSXTUDAATPGS-UHFFFAOYSA-N -1 0 300.286 -0.483 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC001606652727 1018864163 /nfs/dbraw/zinc/86/41/63/1018864163.db2.gz GVXGEVQWBZSDPJ-NOZJJQNGSA-N -1 0 302.327 -0.517 20 0 DBADRM CO[C@H](C)CN(C)C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001606661095 1018864715 /nfs/dbraw/zinc/86/47/15/1018864715.db2.gz IVSIKXVNONVFPV-ZJUUUORDSA-N -1 0 302.327 -0.818 20 0 DBADRM CO[C@@](C)(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)C1CC1 ZINC001606651987 1018864749 /nfs/dbraw/zinc/86/47/49/1018864749.db2.gz NCLQVMBPEOFWPQ-ZWKOPEQDSA-N -1 0 319.379 -0.194 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@H]1CCC(=O)NC1)OC ZINC001606669510 1018865295 /nfs/dbraw/zinc/86/52/95/1018865295.db2.gz XBXDYLUTXUPGTL-VIFPVBQESA-N -1 0 302.327 -0.565 20 0 DBADRM CO[C@H](CNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001606676602 1018865336 /nfs/dbraw/zinc/86/53/36/1018865336.db2.gz REOXRWYEMXXFTF-IRCOFANPSA-N -1 0 316.354 -0.485 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1)C1CC1 ZINC001606681218 1018865767 /nfs/dbraw/zinc/86/57/67/1018865767.db2.gz LMBNFNQWTLQVJB-RYUDHWBXSA-N -1 0 321.395 -0.101 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@H]1CCCS1(=O)=O)OC ZINC001606668384 1018865784 /nfs/dbraw/zinc/86/57/84/1018865784.db2.gz JURYTIAVUOAUQZ-SECBINFHSA-N -1 0 323.367 -0.514 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@@H]1CCS(=O)(=O)C1)OC ZINC001606669753 1018865985 /nfs/dbraw/zinc/86/59/85/1018865985.db2.gz YTWDMPMKRGZBPO-SECBINFHSA-N -1 0 323.367 -0.657 20 0 DBADRM COC1(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CS(=O)(=O)C1 ZINC001606690333 1018866579 /nfs/dbraw/zinc/86/65/79/1018866579.db2.gz JGTTXJJNWBMHNT-RGOKHQFPSA-N -1 0 317.363 -0.585 20 0 DBADRM COC1(C(=O)N(C)[C@H](COC(C)C)C(=O)[O-])CS(=O)(=O)C1 ZINC001606687594 1018866629 /nfs/dbraw/zinc/86/66/29/1018866629.db2.gz FHNYKGKZEZGICI-SECBINFHSA-N -1 0 323.367 -0.863 20 0 DBADRM COC(OC)[C@@H](C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606684075 1018866737 /nfs/dbraw/zinc/86/67/37/1018866737.db2.gz DOGDGTYVCXWIFC-RKDXNWHRSA-N -1 0 302.327 -0.567 20 0 DBADRM COC(OC)[C@@H](C)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001606684137 1018866811 /nfs/dbraw/zinc/86/68/11/1018866811.db2.gz GLPDHIKXBRTUOT-SSDOTTSWSA-N -1 0 301.303 -0.717 20 0 DBADRM COC1(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])CS(=O)(=O)C1 ZINC001606690361 1018867036 /nfs/dbraw/zinc/86/70/36/1018867036.db2.gz LBSSRUXTXNBIHO-JOYOIKCWSA-N -1 0 319.379 -0.050 20 0 DBADRM COC1(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])CS(=O)(=O)C1 ZINC001606690359 1018867098 /nfs/dbraw/zinc/86/70/98/1018867098.db2.gz LBSSRUXTXNBIHO-BXKDBHETSA-N -1 0 319.379 -0.050 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001606690782 1018867314 /nfs/dbraw/zinc/86/73/14/1018867314.db2.gz DEGCOWKXFFYSTE-UYUMYWFVSA-N -1 0 310.350 -0.007 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOCC[C@@H]2C)C1 ZINC001606691907 1018868195 /nfs/dbraw/zinc/86/81/95/1018868195.db2.gz SLFAQWJJZIUCSC-HZMBPMFUSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCCCN2CCCC2=O)C1 ZINC001606697270 1018868271 /nfs/dbraw/zinc/86/82/71/1018868271.db2.gz ACXCKBXLSIUWLI-AWEZNQCLSA-N -1 0 313.354 -0.116 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CS(=O)(=O)NC(C)(C)C)C1 ZINC001606696158 1018868296 /nfs/dbraw/zinc/86/82/96/1018868296.db2.gz ARTMDCGNBITNDY-GFCCVEGCSA-N -1 0 322.383 -0.594 20 0 DBADRM CO[C@]1(C(=O)Nc2ccnc(C(=O)[O-])n2)CCS(=O)(=O)C1 ZINC001606692731 1018868560 /nfs/dbraw/zinc/86/85/60/1018868560.db2.gz ZVZUIUMMJWSRGL-LLVKDONJSA-N -1 0 315.307 -0.683 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1 ZINC001606696541 1018868651 /nfs/dbraw/zinc/86/86/51/1018868651.db2.gz DGBYURXRXLSGHU-JOYOIKCWSA-N -1 0 320.367 -0.551 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)Cc2c[nH]cn2)C1 ZINC001606691882 1018868842 /nfs/dbraw/zinc/86/88/42/1018868842.db2.gz RVFDAJOUORTBPO-ZDUSSCGKSA-N -1 0 310.310 -0.930 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCCCN2CCCC2=O)C1 ZINC001606697271 1018869058 /nfs/dbraw/zinc/86/90/58/1018869058.db2.gz ACXCKBXLSIUWLI-CQSZACIVSA-N -1 0 313.354 -0.116 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ncccc2O)C1 ZINC001606697427 1018869399 /nfs/dbraw/zinc/86/93/99/1018869399.db2.gz MTPIBCHRDDOLEY-AWEZNQCLSA-N -1 0 323.305 -0.781 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC001606703335 1018869452 /nfs/dbraw/zinc/86/94/52/1018869452.db2.gz NOWJAYDIXQRSPV-UONOGXRCSA-N -1 0 311.338 -0.160 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)CN2CCCC2=O)C1 ZINC001606697945 1018869536 /nfs/dbraw/zinc/86/95/36/1018869536.db2.gz SANLGEATHAFPLK-IINYFYTJSA-N -1 0 313.354 -0.118 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001606700501 1018869675 /nfs/dbraw/zinc/86/96/75/1018869675.db2.gz MRNZBEVVBFFKBD-ZDUSSCGKSA-N -1 0 306.278 -0.249 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)CN2CCOCC2)C1 ZINC001606697931 1018869904 /nfs/dbraw/zinc/86/99/04/1018869904.db2.gz RNIJBNBPFWOGSE-SMDDNHRTSA-N -1 0 315.370 -0.408 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ncccc2O)C1 ZINC001606697429 1018869962 /nfs/dbraw/zinc/86/99/62/1018869962.db2.gz MTPIBCHRDDOLEY-CQSZACIVSA-N -1 0 323.305 -0.781 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnc(CN3CCCC3=O)n2C)C1 ZINC001606705192 1018870231 /nfs/dbraw/zinc/87/02/31/1018870231.db2.gz APTFNVZXQMOZCW-CQSZACIVSA-N -1 0 323.353 -0.383 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)CN2CCCC2=O)C1 ZINC001606697947 1018870506 /nfs/dbraw/zinc/87/05/06/1018870506.db2.gz SANLGEATHAFPLK-YGRLFVJLSA-N -1 0 313.354 -0.118 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC001606706619 1018871060 /nfs/dbraw/zinc/87/10/60/1018871060.db2.gz PELHEBIENBLSKE-XNDJQWLSSA-N -1 0 305.352 -0.188 20 0 DBADRM COC1(C)CN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1 ZINC001606714773 1018871141 /nfs/dbraw/zinc/87/11/41/1018871141.db2.gz GNEFPQIFJFMGBF-YTWAJWBKSA-N -1 0 310.350 -0.151 20 0 DBADRM COC1([C@@H](C(=O)[O-])N(C)Cc2nnc3c(=O)[nH]ccn23)CCC1 ZINC001606707995 1018871249 /nfs/dbraw/zinc/87/12/49/1018871249.db2.gz IAGPQELXTCKTPC-SNVBAGLBSA-N -1 0 321.337 -0.128 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)N=S(C)(C)=O)C1 ZINC001606705879 1018871839 /nfs/dbraw/zinc/87/18/39/1018871839.db2.gz HDPZIOPHVYVMDH-MRVPVSSYSA-N -1 0 300.358 -0.866 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnc(-c3nccn3C)n2C)C1 ZINC001606705544 1018871983 /nfs/dbraw/zinc/87/19/83/1018871983.db2.gz CNPZTNJKLOBJJW-CYBMUJFWSA-N -1 0 306.326 -0.105 20 0 DBADRM O=C(C=C1CCC1)NC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001501775254 1018872180 /nfs/dbraw/zinc/87/21/80/1018872180.db2.gz PECHMOJQPNNYNC-OWOJBTEDSA-N -1 0 321.337 -0.412 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnc(-c3ccnn3C)n2C)C1 ZINC001606706079 1018872219 /nfs/dbraw/zinc/87/22/19/1018872219.db2.gz JGBDRQPNEBGTBW-ZDUSSCGKSA-N -1 0 306.326 -0.105 20 0 DBADRM CO[C@@]1(CNC(=S)NCCCC(=O)[O-])CCS(=O)(=O)C1 ZINC001606717550 1018872620 /nfs/dbraw/zinc/87/26/20/1018872620.db2.gz OKDBVPMSGDKAJF-LLVKDONJSA-N -1 0 324.424 -0.481 20 0 DBADRM CO[C@@H]1CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001606736613 1018872705 /nfs/dbraw/zinc/87/27/05/1018872705.db2.gz RTQDYDOBALKGDI-IMSIIYSGSA-N -1 0 314.338 -0.676 20 0 DBADRM O=C(NC[C@H]1CCCNC1=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001606735584 1018872756 /nfs/dbraw/zinc/87/27/56/1018872756.db2.gz UFZBKROUGMTNLC-SECBINFHSA-N -1 0 316.321 -0.172 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@H](C)N2CCN(C)CC2)[C@@H](C(=O)[O-])C1 ZINC001606748012 1018873489 /nfs/dbraw/zinc/87/34/89/1018873489.db2.gz CESHOFILYWDSGX-YNEHKIRRSA-N -1 0 313.398 -0.287 20 0 DBADRM CO[C@H]1CN(C(=O)CCCCNC(N)=O)[C@@](C)(C(=O)[O-])C1 ZINC001606762222 1018874252 /nfs/dbraw/zinc/87/42/52/1018874252.db2.gz AOAQDWVDZJFCFF-NOZJJQNGSA-N -1 0 301.343 -0.084 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606771406 1018875099 /nfs/dbraw/zinc/87/50/99/1018875099.db2.gz STJBHWLNQAPKMM-DTWKUNHWSA-N -1 0 320.323 -0.203 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CNC(=O)N1CCCC1 ZINC001606779133 1018876905 /nfs/dbraw/zinc/87/69/05/1018876905.db2.gz DPWZQRQDYSVIDZ-ZDUSSCGKSA-N -1 0 301.343 -0.212 20 0 DBADRM COC[C@@](C)(NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1)C(=O)[O-] ZINC001606787877 1018878246 /nfs/dbraw/zinc/87/82/46/1018878246.db2.gz IRJUEAGPAMBABH-ZWNOBZJWSA-N -1 0 310.310 -0.481 20 0 DBADRM COC[C@@H]([C@@H]1CCCO1)N1C(=O)N[C@H](CCC(=O)[O-])C1=O ZINC001606799046 1018878589 /nfs/dbraw/zinc/87/85/89/1018878589.db2.gz AQQQMZBRPZUXPD-UTLUCORTSA-N -1 0 300.311 -0.034 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001606798304 1018878724 /nfs/dbraw/zinc/87/87/24/1018878724.db2.gz UWOFUJXBLDZNKW-MXWKQRLJSA-N -1 0 315.370 -0.110 20 0 DBADRM COC[C@](C)(NC(=O)C1CC2(C1)CS(=O)(=O)C2)C(=O)[O-] ZINC001606788010 1018878843 /nfs/dbraw/zinc/87/88/43/1018878843.db2.gz OOIGDDJXVSYISM-NSHDSACASA-N -1 0 305.352 -0.583 20 0 DBADRM COC[C@H](C)CNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001606797081 1018878928 /nfs/dbraw/zinc/87/89/28/1018878928.db2.gz FEKKLANRLAWCDJ-OPRDCNLKSA-N -1 0 302.327 -0.216 20 0 DBADRM COCC[C@@](C)(O)CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001606852146 1018887515 /nfs/dbraw/zinc/88/75/15/1018887515.db2.gz BPUMJRSDPYASGL-SNVBAGLBSA-N -1 0 324.380 -0.093 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cnc2ccccn21 ZINC001606803137 1018879384 /nfs/dbraw/zinc/87/93/84/1018879384.db2.gz WZCLENRFGFWJPN-UHFFFAOYSA-N -1 0 324.308 -0.464 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CCC=C(Cl)C1 ZINC001606803412 1018879880 /nfs/dbraw/zinc/87/98/80/1018879880.db2.gz WCKXEXJJYBECCV-UHFFFAOYSA-N -1 0 323.748 -0.004 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ncc(Cl)cn1 ZINC001606802999 1018880059 /nfs/dbraw/zinc/88/00/59/1018880059.db2.gz VHWINSXXOTYFFZ-UHFFFAOYSA-N -1 0 320.704 -0.668 20 0 DBADRM COC[C@H](CCNC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1)OC ZINC001606800117 1018880273 /nfs/dbraw/zinc/88/02/73/1018880273.db2.gz VPWPXZHCAXXWKQ-OUAUKWLOSA-N -1 0 304.343 -0.079 20 0 DBADRM COC[C@@H](CN1CCO[C@H](C)C1)OC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001606800575 1018880465 /nfs/dbraw/zinc/88/04/65/1018880465.db2.gz NJBSOSUCNXXJMX-WISYIIOYSA-N -1 0 301.339 -0.014 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NCC1CCOCC1 ZINC001606802606 1018880482 /nfs/dbraw/zinc/88/04/82/1018880482.db2.gz JZEFEDIENICCBP-UHFFFAOYSA-N -1 0 321.345 -0.816 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-])OC ZINC001606800180 1018880563 /nfs/dbraw/zinc/88/05/63/1018880563.db2.gz FCEZVLRXHQDZHV-NXEZZACHSA-N -1 0 302.327 -0.770 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001606803000 1018880614 /nfs/dbraw/zinc/88/06/14/1018880614.db2.gz PRBUYOOQGLBPGK-KXUCPTDWSA-N -1 0 317.357 -0.054 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(F)ccc1C(=O)[O-])C(N)=O ZINC001606816126 1018881099 /nfs/dbraw/zinc/88/10/99/1018881099.db2.gz OFLWMRQVDXZRSX-QMMMGPOBSA-N -1 0 320.298 -0.698 20 0 DBADRM COC[C@@H](NC(=O)Cc1nnc(C2CCOCC2)[nH]1)C(=O)[O-] ZINC001606811160 1018881149 /nfs/dbraw/zinc/88/11/49/1018881149.db2.gz YKBLKVHXRKVYQX-SECBINFHSA-N -1 0 312.326 -0.543 20 0 DBADRM COC[C@H](NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-] ZINC001606806321 1018881170 /nfs/dbraw/zinc/88/11/70/1018881170.db2.gz NIXLQXSKBMGUJN-SCZZXKLOSA-N -1 0 323.367 -0.816 20 0 DBADRM COC[C@@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)C1CCOCC1 ZINC001606808693 1018881556 /nfs/dbraw/zinc/88/15/56/1018881556.db2.gz ACDRBHSKOBWUOV-NEPJUHHUSA-N -1 0 316.354 -0.077 20 0 DBADRM COC[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)C1CCOCC1 ZINC001606808695 1018882198 /nfs/dbraw/zinc/88/21/98/1018882198.db2.gz ACDRBHSKOBWUOV-NWDGAFQWSA-N -1 0 316.354 -0.077 20 0 DBADRM COC[C@@H](OC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001606818642 1018882538 /nfs/dbraw/zinc/88/25/38/1018882538.db2.gz NSHOUENZOVBHTC-WCBMZHEXSA-N -1 0 311.294 -0.584 20 0 DBADRM COCC1(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)CC1 ZINC001606822192 1018882628 /nfs/dbraw/zinc/88/26/28/1018882628.db2.gz QSEYWYHIZKHBSX-UHFFFAOYSA-N -1 0 308.338 -0.059 20 0 DBADRM COC[C@H](O)CCNC(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC001606819642 1018882722 /nfs/dbraw/zinc/88/27/22/1018882722.db2.gz VBBMMHDJZNCJQV-SSDOTTSWSA-N -1 0 316.335 -0.102 20 0 DBADRM COCC1(C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)CC1 ZINC001606821714 1018882801 /nfs/dbraw/zinc/88/28/01/1018882801.db2.gz JOQWKMXHNSQSSY-ZJUUUORDSA-N -1 0 310.350 -0.101 20 0 DBADRM COC[C@H](O)C(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001606818609 1018883023 /nfs/dbraw/zinc/88/30/23/1018883023.db2.gz MTNARUOZVSMAHA-SCZZXKLOSA-N -1 0 303.311 -0.751 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cccnc1C(=O)OC)C(=O)[O-] ZINC001606818170 1018883326 /nfs/dbraw/zinc/88/33/26/1018883326.db2.gz JSZKGESTBALJGE-SSDOTTSWSA-N -1 0 318.307 -0.754 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)OC ZINC001606816285 1018883362 /nfs/dbraw/zinc/88/33/62/1018883362.db2.gz UNMKAPYLFTWEMN-VIFPVBQESA-N -1 0 318.307 -0.754 20 0 DBADRM COC[C@@H](NS(=O)(=O)Cc1ccccc1C(=O)[O-])C(N)=O ZINC001606816521 1018883477 /nfs/dbraw/zinc/88/34/77/1018883477.db2.gz ZDIVQEZFGXYDBX-SNVBAGLBSA-N -1 0 316.335 -0.696 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1c1nnnn1C[C@H]1CCCO1 ZINC001606833817 1018884018 /nfs/dbraw/zinc/88/40/18/1018884018.db2.gz ATCGBHHZAILOBA-MFKMUULPSA-N -1 0 311.342 -0.078 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCCN1CC(=O)N1CCN(C)CC1 ZINC001606827396 1018884544 /nfs/dbraw/zinc/88/45/44/1018884544.db2.gz GIASFUBEEPTUSS-OAHLLOKOSA-N -1 0 313.398 -0.284 20 0 DBADRM COC[C@]1(C(=O)OC)CCCN1S(=O)(=O)CCCC(=O)[O-] ZINC001606834526 1018884599 /nfs/dbraw/zinc/88/45/99/1018884599.db2.gz IQGGACROFUUMGA-LBPRGKRZSA-N -1 0 323.367 -0.165 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1c1nnnn1C[C@@H]1CCCO1 ZINC001606833816 1018884662 /nfs/dbraw/zinc/88/46/62/1018884662.db2.gz ATCGBHHZAILOBA-GXFFZTMASA-N -1 0 311.342 -0.078 20 0 DBADRM COCC1(Cn2nnnc2N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC001606841513 1018885613 /nfs/dbraw/zinc/88/56/13/1018885613.db2.gz ZGMPPZILTQOIIB-JTQLQIEISA-N -1 0 311.342 -0.220 20 0 DBADRM COCC1(S(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)CCC1 ZINC001606842736 1018885772 /nfs/dbraw/zinc/88/57/72/1018885772.db2.gz QOWSXRFHOOMTBV-LLVKDONJSA-N -1 0 307.368 -0.034 20 0 DBADRM COC[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001606846292 1018885913 /nfs/dbraw/zinc/88/59/13/1018885913.db2.gz UULXYDNDUZZLCB-HZMBPMFUSA-N -1 0 314.338 -0.674 20 0 DBADRM COCC1(O)CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC001606842930 1018885953 /nfs/dbraw/zinc/88/59/53/1018885953.db2.gz ZMKUNTVJWZYCCP-LBPRGKRZSA-N -1 0 302.371 -0.315 20 0 DBADRM COC[C@H]1CCCN1C(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001606846295 1018886100 /nfs/dbraw/zinc/88/61/00/1018886100.db2.gz UULXYDNDUZZLCB-YGRLFVJLSA-N -1 0 314.338 -0.674 20 0 DBADRM COC[C@]1(CO)CCN(S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001606841261 1018886125 /nfs/dbraw/zinc/88/61/25/1018886125.db2.gz VGWTWBNFZWHKNW-GFCCVEGCSA-N -1 0 319.335 -0.003 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN(CC(=O)[O-])CC(C)C)C1=O ZINC001606836279 1018886253 /nfs/dbraw/zinc/88/62/53/1018886253.db2.gz BPXLDDIEOHSZSY-ZDUSSCGKSA-N -1 0 301.343 -0.057 20 0 DBADRM COC[C@]1(CO)CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001606840605 1018886312 /nfs/dbraw/zinc/88/63/12/1018886312.db2.gz FLUXBSBOFYEREN-GFCCVEGCSA-N -1 0 321.395 -0.098 20 0 DBADRM COCC[C@H](CO)NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001606855204 1018887383 /nfs/dbraw/zinc/88/73/83/1018887383.db2.gz DOCJTPGYIABXFM-VWYCJHECSA-N -1 0 309.384 -0.053 20 0 DBADRM COCCC(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001606851258 1018887671 /nfs/dbraw/zinc/88/76/71/1018887671.db2.gz NAZHTXAKGRQMGG-NXEZZACHSA-N -1 0 324.337 -0.733 20 0 DBADRM COCC[C@H](NC(=O)[C@@H]1COCCN1CC(F)F)C(=O)[O-] ZINC001606854721 1018887873 /nfs/dbraw/zinc/88/78/73/1018887873.db2.gz DRDSMDZQDWSXLT-IUCAKERBSA-N -1 0 310.297 -0.442 20 0 DBADRM COCC[C@](C)(O)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606852091 1018887987 /nfs/dbraw/zinc/88/79/87/1018887987.db2.gz AVCPVVNVWHCALU-HZMBPMFUSA-N -1 0 316.354 -0.787 20 0 DBADRM COC[C@H]1CN(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])CCO1 ZINC001606848485 1018888212 /nfs/dbraw/zinc/88/82/12/1018888212.db2.gz QEBHFUSVDURFIK-AXFHLTTASA-N -1 0 302.327 -0.467 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1ccnn1COC)C(=O)[O-] ZINC001606862967 1018888632 /nfs/dbraw/zinc/88/86/32/1018888632.db2.gz MJWUTPINDVDBTQ-MRVPVSSYSA-N -1 0 307.328 -0.745 20 0 DBADRM COCC[C@H](CO)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001606855924 1018888912 /nfs/dbraw/zinc/88/89/12/1018888912.db2.gz LGFNIOVITQZYDC-SSDOTTSWSA-N -1 0 307.328 -0.908 20 0 DBADRM COCC[C@H](NS(=O)(=O)C1CCC(C(=O)[O-])CC1)C(N)=O ZINC001606859908 1018889275 /nfs/dbraw/zinc/88/92/75/1018889275.db2.gz YPCNVGJKSGBTHU-RTBKNWGFSA-N -1 0 322.383 -0.560 20 0 DBADRM COCC[C@@H](NC(=O)c1ccc(=O)n(CCOC)c1)C(=O)[O-] ZINC001606856781 1018889293 /nfs/dbraw/zinc/88/92/93/1018889293.db2.gz JDVJNJZQOASWCT-LLVKDONJSA-N -1 0 312.322 -0.286 20 0 DBADRM COCC[C@@H]1COCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001606865120 1018889468 /nfs/dbraw/zinc/88/94/68/1018889468.db2.gz UBUSJUXEXFFNGR-LLVKDONJSA-N -1 0 324.333 -0.190 20 0 DBADRM COCCCOCC(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001606871503 1018890079 /nfs/dbraw/zinc/89/00/79/1018890079.db2.gz MBKWIQZQZSYVHX-QWRGUYRKSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCCNC(=O)CN1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001606869973 1018890221 /nfs/dbraw/zinc/89/02/21/1018890221.db2.gz PZXFLJZNPBOLNH-WDEREUQCSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCN([C@H](C)C(N)=O)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606878674 1018891014 /nfs/dbraw/zinc/89/10/14/1018891014.db2.gz DZKSIELJPUCVCW-HLTSFMKQSA-N -1 0 308.356 -0.998 20 0 DBADRM COCCCCN(C)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001606870377 1018891273 /nfs/dbraw/zinc/89/12/73/1018891273.db2.gz ZGVFBICJJKCPSY-QWRGUYRKSA-N -1 0 316.354 -0.835 20 0 DBADRM COCCCn1nc(C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1=O ZINC001606877529 1018891322 /nfs/dbraw/zinc/89/13/22/1018891322.db2.gz OVQCBRSFMUKKKP-SNVBAGLBSA-N -1 0 309.322 -0.174 20 0 DBADRM COCCNC(=O)CNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001606894458 1018892756 /nfs/dbraw/zinc/89/27/56/1018892756.db2.gz BLSZGOUJSIYUGC-UWVGGRQHSA-N -1 0 322.383 -0.688 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001606886939 1018892885 /nfs/dbraw/zinc/89/28/85/1018892885.db2.gz VBHOKJGGONKRFA-UHFFFAOYSA-N -1 0 323.305 -0.024 20 0 DBADRM COCCN(CCOC)C1CN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001606890292 1018893031 /nfs/dbraw/zinc/89/30/31/1018893031.db2.gz ZTIWYOSOFHKDSW-TXEJJXNPSA-N -1 0 314.382 -0.097 20 0 DBADRM COCCO[C@@H]1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001606900031 1018893435 /nfs/dbraw/zinc/89/34/35/1018893435.db2.gz AVJFMPPSBGDRMG-MXWKQRLJSA-N -1 0 307.368 -0.083 20 0 DBADRM COCCN1CCN(CC(=O)c2cc(C(=O)[O-])[nH]c2C)CC1=O ZINC001606895547 1018893881 /nfs/dbraw/zinc/89/38/81/1018893881.db2.gz RCZVYUHMOVUYDV-UHFFFAOYSA-N -1 0 323.349 -0.005 20 0 DBADRM COCCN1CN(C(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)CC1=O ZINC001606895165 1018894326 /nfs/dbraw/zinc/89/43/26/1018894326.db2.gz LTFSUVGPYCDGHX-QXEWZRGKSA-N -1 0 300.311 -0.861 20 0 DBADRM COCCOCC(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001606901388 1018894468 /nfs/dbraw/zinc/89/44/68/1018894468.db2.gz YKFHGGGIFLAXIP-UWVGGRQHSA-N -1 0 303.311 -0.486 20 0 DBADRM COCCN1CCCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1=O ZINC001606896396 1018894558 /nfs/dbraw/zinc/89/45/58/1018894558.db2.gz WNBPGQXVUGMPBX-XYPYZODXSA-N -1 0 313.354 -0.260 20 0 DBADRM COCCn1c(CCO)nnc1N1CC[C@](OC)(C(=O)[O-])C1 ZINC001606926544 1018894960 /nfs/dbraw/zinc/89/49/60/1018894960.db2.gz FFDZEQHVPJFYCI-CYBMUJFWSA-N -1 0 314.342 -0.861 20 0 DBADRM COCCn1cc(C(=O)N2CC[C@](OC)(C(=O)[O-])C2)ccc1=O ZINC001606929800 1018896371 /nfs/dbraw/zinc/89/63/71/1018896371.db2.gz YIWCQRFJFWDMRO-OAHLLOKOSA-N -1 0 324.333 -0.190 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C2 ZINC001606933670 1018896920 /nfs/dbraw/zinc/89/69/20/1018896920.db2.gz NZUGOFOXDBWAFQ-NEPJUHHUSA-N -1 0 324.337 -0.559 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1c1cc(C)nc2nc(C(=O)[O-])nn21 ZINC001606937789 1018897064 /nfs/dbraw/zinc/89/70/64/1018897064.db2.gz NOLURENWAIHEQL-DTWKUNHWSA-N -1 0 307.310 -0.283 20 0 DBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001606937562 1018897400 /nfs/dbraw/zinc/89/74/00/1018897400.db2.gz ZXRKGCOKTXIUGO-ZETCQYMHSA-N -1 0 320.323 -0.593 20 0 DBADRM O=C(CCCF)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001501943211 1018897727 /nfs/dbraw/zinc/89/77/27/1018897727.db2.gz NGWHTJAKPSZTTK-UPHRSURJSA-N -1 0 313.289 -0.565 20 0 DBADRM COCCn1cc(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)nn1 ZINC001606929787 1018897627 /nfs/dbraw/zinc/89/76/27/1018897627.db2.gz XTWXFSQABHXNBR-UHFFFAOYSA-N -1 0 320.309 -0.415 20 0 DBADRM O=C([O-])COCC(=O)N[C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001606958547 1018898217 /nfs/dbraw/zinc/89/82/17/1018898217.db2.gz XFLJVLYXRYBOJK-NSHDSACASA-N -1 0 317.305 -0.449 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC001606939270 1018898625 /nfs/dbraw/zinc/89/86/25/1018898625.db2.gz UTQUXLOQHBYTJJ-RNFRBKRXSA-N -1 0 322.364 -0.388 20 0 DBADRM COCc1ccc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])cc1 ZINC001606963758 1018898785 /nfs/dbraw/zinc/89/87/85/1018898785.db2.gz VODZSTYAAANSTP-GFCCVEGCSA-N -1 0 303.336 -0.053 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1occc1C(=O)[O-] ZINC001606939054 1018899317 /nfs/dbraw/zinc/89/93/17/1018899317.db2.gz NMCYZQBVCWLCCV-HTQZYQBOSA-N -1 0 305.308 -0.252 20 0 DBADRM COCc1cc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)ncn1 ZINC001606941620 1018899502 /nfs/dbraw/zinc/89/95/02/1018899502.db2.gz LMSQAXIOCODUKB-VXGBXAGGSA-N -1 0 320.349 -0.008 20 0 DBADRM CON(C)C(=O)[C@H](C)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001606989577 1018899923 /nfs/dbraw/zinc/89/99/23/1018899923.db2.gz LHLDXDVJJRKKDZ-LURJTMIESA-N -1 0 305.312 -0.601 20 0 DBADRM COCc1nn(CC(=O)Nc2cccc(C(=O)[O-])n2)c(=O)o1 ZINC001606981163 1018899990 /nfs/dbraw/zinc/89/99/90/1018899990.db2.gz XKLGEBSZPLDPSL-UHFFFAOYSA-N -1 0 308.250 -0.285 20 0 DBADRM COCc1ncc2c(n1)CCN(C(=O)NCCOCC(=O)[O-])C2 ZINC001606977903 1018900130 /nfs/dbraw/zinc/90/01/30/1018900130.db2.gz ISPBNMMQZDZPAR-UHFFFAOYSA-N -1 0 324.337 -0.208 20 0 DBADRM CON(C)C(=O)[C@H](C)NS(=O)(=O)CCCCCC(=O)[O-] ZINC001606989583 1018900496 /nfs/dbraw/zinc/90/04/96/1018900496.db2.gz LSIKYOHIAJZWEV-VIFPVBQESA-N -1 0 310.372 -0.041 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001606989707 1018900598 /nfs/dbraw/zinc/90/05/98/1018900598.db2.gz CBNVGVXTMRKXFD-RKDXNWHRSA-N -1 0 303.315 -0.720 20 0 DBADRM COCn1nccc1S(=O)(=O)N[C@@](C)(CCF)C(=O)[O-] ZINC001606986023 1018901378 /nfs/dbraw/zinc/90/13/78/1018901378.db2.gz YVPIFMUHTURMQC-JTQLQIEISA-N -1 0 309.319 -0.032 20 0 DBADRM COCc1nccc(N(CCN2CCOCC2)CC(=O)[O-])n1 ZINC001606978093 1018901520 /nfs/dbraw/zinc/90/15/20/1018901520.db2.gz OIAIBWJHBTVCGH-UHFFFAOYSA-N -1 0 310.354 -0.154 20 0 DBADRM CON(C)C(=O)CNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001606990368 1018901691 /nfs/dbraw/zinc/90/16/91/1018901691.db2.gz XDXIWTURUBGAMU-LBPRGKRZSA-N -1 0 314.298 -0.979 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001606990315 1018901720 /nfs/dbraw/zinc/90/17/20/1018901720.db2.gz UWXMWFZNJTZMBP-WCBMZHEXSA-N -1 0 317.342 -0.738 20 0 DBADRM CON1CCC(n2nnnc2N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1 ZINC001606994738 1018901800 /nfs/dbraw/zinc/90/18/00/1018901800.db2.gz SFFCYMGSHHGDQI-URLYPYJESA-N -1 0 308.342 -0.362 20 0 DBADRM COCc1n[nH]c(CNS(=O)(=O)CC2(C(=O)[O-])CCC2)n1 ZINC001606981551 1018902167 /nfs/dbraw/zinc/90/21/67/1018902167.db2.gz PBJACIXOOOGMAA-UHFFFAOYSA-N -1 0 318.355 -0.375 20 0 DBADRM CON(C)C(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001606989633 1018902415 /nfs/dbraw/zinc/90/24/15/1018902415.db2.gz AMMIDJGSIDXTLJ-ZCFIWIBFSA-N -1 0 320.323 -0.027 20 0 DBADRM CO[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1NC(=O)C1CC1 ZINC001606999904 1018904053 /nfs/dbraw/zinc/90/40/53/1018904053.db2.gz KZQPLBJCEDOBEP-GHMZBOCLSA-N -1 0 306.322 -0.095 20 0 DBADRM CO[C@@H](C)CNC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001606997587 1018904510 /nfs/dbraw/zinc/90/45/10/1018904510.db2.gz HZHPEAQRNVTMGI-MNOVXSKESA-N -1 0 315.370 -0.855 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cccnc2C(=O)[O-])C[C@@H]1OC ZINC001607005536 1018910401 /nfs/dbraw/zinc/91/04/01/1018910401.db2.gz RDYNXWFVZIFPAM-DTORHVGOSA-N -1 0 316.335 -0.186 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001607007359 1018911169 /nfs/dbraw/zinc/91/11/69/1018911169.db2.gz XSSATWNGSCUSQV-RXMQYKEDSA-N -1 0 315.307 -0.461 20 0 DBADRM O=S(=O)(NCc1ncc[nH]1)c1cccnc1-c1nnn[n-]1 ZINC001607066932 1018936287 /nfs/dbraw/zinc/93/62/87/1018936287.db2.gz JUVBYCKLGBARLE-UHFFFAOYSA-N -1 0 306.311 -0.537 20 0 DBADRM O=S(=O)(NC[C@@H]1CC[C@@H](O)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001607061424 1018936758 /nfs/dbraw/zinc/93/67/58/1018936758.db2.gz GFWSRVNWOQABKH-HTQZYQBOSA-N -1 0 313.339 -0.101 20 0 DBADRM O=S(=O)(NCc1cccnn1)c1ccc(-c2nnn[n-]2)o1 ZINC001607067253 1018938754 /nfs/dbraw/zinc/93/87/54/1018938754.db2.gz HMOYKLUXLSRSHJ-UHFFFAOYSA-N -1 0 307.295 -0.272 20 0 DBADRM O=S(=O)(NCC1(O)CCCC1)c1cccnc1-c1nnn[n-]1 ZINC001607061375 1018940505 /nfs/dbraw/zinc/94/05/05/1018940505.db2.gz FFAGAOYGGFIBES-UHFFFAOYSA-N -1 0 324.366 -0.155 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1CC(n2ccnc2)C1 ZINC001607071250 1018943895 /nfs/dbraw/zinc/94/38/95/1018943895.db2.gz DCCYCWAQOAQWFM-UHFFFAOYSA-N -1 0 321.322 -0.098 20 0 DBADRM COc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])sn1 ZINC001607068277 1018944816 /nfs/dbraw/zinc/94/48/16/1018944816.db2.gz NAJOKCIJGDLVMU-ZETCQYMHSA-N -1 0 313.335 -0.043 20 0 DBADRM COc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1C ZINC001607073643 1018945427 /nfs/dbraw/zinc/94/54/27/1018945427.db2.gz MQNCLTQVDCDTEI-BDAKNGLRSA-N -1 0 322.321 -0.910 20 0 DBADRM COc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])sn1 ZINC001607068276 1018946377 /nfs/dbraw/zinc/94/63/77/1018946377.db2.gz NAJOKCIJGDLVMU-SSDOTTSWSA-N -1 0 313.335 -0.043 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)CN1C(=O)CNC1=O ZINC001607126068 1018975920 /nfs/dbraw/zinc/97/59/20/1018975920.db2.gz IXBGQUGUFXDFAT-UHFFFAOYSA-N -1 0 307.262 -0.116 20 0 DBADRM COc1cc(NC(=O)NC(CO)(CO)CO)ccc1C(=O)[O-] ZINC001607176956 1018980709 /nfs/dbraw/zinc/98/07/09/1018980709.db2.gz VWBHSBUQRNBKIT-UHFFFAOYSA-N -1 0 314.294 -0.769 20 0 DBADRM COc1ccc(C=O)c(OCC(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001607242637 1018981059 /nfs/dbraw/zinc/98/10/59/1018981059.db2.gz NLCZJYJEDMLZER-JTQLQIEISA-N -1 0 311.290 -0.162 20 0 DBADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)N[C@@H]2COC[C@H]2O)c1 ZINC001607214338 1018981259 /nfs/dbraw/zinc/98/12/59/1018981259.db2.gz YVEAACCVAHJSGR-NXEZZACHSA-N -1 0 317.319 -0.569 20 0 DBADRM COc1cc(CO)ccc1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC001607165414 1018981489 /nfs/dbraw/zinc/98/14/89/1018981489.db2.gz ZDZZEHQWISAEMH-MRVPVSSYSA-N -1 0 311.290 -0.066 20 0 DBADRM COc1ccc([C@@H](NC(=O)CN2CCNC(=O)C2)C(=O)[O-])cc1 ZINC001607226541 1018981569 /nfs/dbraw/zinc/98/15/69/1018981569.db2.gz OXKXYGMMRMWISP-CQSZACIVSA-N -1 0 321.333 -0.631 20 0 DBADRM COc1cc(OC)cc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001607185797 1018981625 /nfs/dbraw/zinc/98/16/25/1018981625.db2.gz FRDNAPQNBFENCE-MRVPVSSYSA-N -1 0 319.335 -0.182 20 0 DBADRM COc1cc(S(=O)(=O)N(CCO)CCO)ccc1C(=O)[O-] ZINC001607189657 1018981802 /nfs/dbraw/zinc/98/18/02/1018981802.db2.gz TVJRQNPEYIKVQC-UHFFFAOYSA-N -1 0 319.335 -0.631 20 0 DBADRM COc1ccc(CN(C)C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001607251339 1018983414 /nfs/dbraw/zinc/98/34/14/1018983414.db2.gz LEWCCTRQRKVSOV-UHFFFAOYSA-N -1 0 322.317 -0.689 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC001607251808 1018983823 /nfs/dbraw/zinc/98/38/23/1018983823.db2.gz FSTGFFTZWUCQEJ-JTQLQIEISA-N -1 0 307.306 -0.361 20 0 DBADRM COc1cccc(C2=NO[C@H](C(=O)N[C@H](CO)C(=O)[O-])C2)c1 ZINC001607315221 1018983980 /nfs/dbraw/zinc/98/39/80/1018983980.db2.gz BCOVWFWMJGNQBM-NEPJUHHUSA-N -1 0 308.290 -0.250 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001607277604 1018984832 /nfs/dbraw/zinc/98/48/32/1018984832.db2.gz KCLGPQSQKQLHSC-SSDOTTSWSA-N -1 0 305.308 -0.485 20 0 DBADRM COc1cnc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nc1 ZINC001607352807 1018986131 /nfs/dbraw/zinc/98/61/31/1018986131.db2.gz TUWDHPNOZFSSDC-ZJUUUORDSA-N -1 0 320.305 -0.854 20 0 DBADRM COc1cncc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])n1 ZINC001607352856 1018986351 /nfs/dbraw/zinc/98/63/51/1018986351.db2.gz FIDPUGSGCYHEOK-MRVPVSSYSA-N -1 0 311.294 -0.179 20 0 DBADRM COc1cncnc1NC(=O)C(=O)NC1(CC(=O)[O-])CCC1 ZINC001607355528 1018987848 /nfs/dbraw/zinc/98/78/48/1018987848.db2.gz CVXBHQRYVOLZCI-UHFFFAOYSA-N -1 0 308.294 -0.063 20 0 DBADRM COc1nc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)co1 ZINC001607354599 1018988495 /nfs/dbraw/zinc/98/84/95/1018988495.db2.gz BZKCVYFTHBRQQB-RKDXNWHRSA-N -1 0 323.305 -0.312 20 0 DBADRM COc1ccccc1OCCNC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001607348180 1018988835 /nfs/dbraw/zinc/98/88/35/1018988835.db2.gz CZPPIZHSKHLJOW-UHFFFAOYSA-N -1 0 310.306 -0.085 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001607362235 1018989463 /nfs/dbraw/zinc/98/94/63/1018989463.db2.gz GKPDFUQHUJLYCK-OCAPTIKFSA-N -1 0 310.310 -0.311 20 0 DBADRM COc1nccc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])n1 ZINC001607360248 1018989800 /nfs/dbraw/zinc/98/98/00/1018989800.db2.gz CTORTMFFFSSHIM-VIFPVBQESA-N -1 0 311.294 -0.179 20 0 DBADRM C[S@@](=N)(=O)N1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC001607363079 1018989994 /nfs/dbraw/zinc/98/99/94/1018989994.db2.gz HGCJLDLHPFNHRO-NRFANRHFSA-N -1 0 315.355 -0.683 20 0 DBADRM CS(=O)(=O)[C@H]1CCCCN(Cc2cn(CC(=O)[O-])nn2)C1 ZINC001607366410 1018990662 /nfs/dbraw/zinc/99/06/62/1018990662.db2.gz FOSGZBJEEPKMSU-NSHDSACASA-N -1 0 316.383 -0.238 20 0 DBADRM COc1nn(C)cc1C(=O)N(CCC(=O)[O-])CC(OC)OC ZINC001607362350 1018990756 /nfs/dbraw/zinc/99/07/56/1018990756.db2.gz LRNJHSMOTWSWFO-UHFFFAOYSA-N -1 0 315.326 -0.036 20 0 DBADRM COc1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001607359779 1018991253 /nfs/dbraw/zinc/99/12/53/1018991253.db2.gz NMHRECWIXLTYOD-ZJUUUORDSA-N -1 0 320.305 -0.854 20 0 DBADRM CS(=O)(=O)CCCC(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001607369454 1018992751 /nfs/dbraw/zinc/99/27/51/1018992751.db2.gz DAXJYDDHWWBZRB-VIFPVBQESA-N -1 0 321.351 -0.570 20 0 DBADRM CS(=O)(=O)Cc1noc(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001607370773 1018993374 /nfs/dbraw/zinc/99/33/74/1018993374.db2.gz LBYNEVFJVBYCMS-OLQVQODUSA-N -1 0 303.296 -0.337 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)Oc1cccnc1C(=O)[O-] ZINC001607370801 1018993397 /nfs/dbraw/zinc/99/33/97/1018993397.db2.gz RWVLASAFEJSDKP-UHFFFAOYSA-N -1 0 309.321 -0.467 20 0 DBADRM CS(=O)(=O)CCCC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001607369521 1018994404 /nfs/dbraw/zinc/99/44/04/1018994404.db2.gz GUMTWCOUQDXRTH-LLVKDONJSA-N -1 0 307.368 -0.505 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001607366492 1018994646 /nfs/dbraw/zinc/99/46/46/1018994646.db2.gz KZKIPYWCUGDPAU-QMMMGPOBSA-N -1 0 317.323 -0.693 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CCO1 ZINC001607369604 1018994823 /nfs/dbraw/zinc/99/48/23/1018994823.db2.gz JOMRTJQBCHMOCW-KXUCPTDWSA-N -1 0 320.367 -0.838 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ocnc1C(=O)[O-] ZINC001607371661 1018995546 /nfs/dbraw/zinc/99/55/46/1018995546.db2.gz AZUKAEFJKHOKSN-SSDOTTSWSA-N -1 0 317.323 -0.587 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001607373848 1018995990 /nfs/dbraw/zinc/99/59/90/1018995990.db2.gz KWLKKZIJQZEACR-FYBVGQRMSA-N -1 0 321.424 -0.747 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001607372283 1018996403 /nfs/dbraw/zinc/99/64/03/1018996403.db2.gz VRLVALRRJKAYKR-MGCOHNPYSA-N -1 0 319.383 -0.474 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001607374661 1018996457 /nfs/dbraw/zinc/99/64/57/1018996457.db2.gz IHDJGKUYWQOMOT-KXUCPTDWSA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001607372085 1018997139 /nfs/dbraw/zinc/99/71/39/1018997139.db2.gz PTQRXTSCPIPEFC-QMMMGPOBSA-N -1 0 314.323 -0.463 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)CCc1ocnc1C(=O)[O-] ZINC001607373635 1018997547 /nfs/dbraw/zinc/99/75/47/1018997547.db2.gz CTTUETUBQQZGKZ-UHFFFAOYSA-N -1 0 319.339 -0.639 20 0 DBADRM CS(=O)(=O)c1nnc(CN2CCO[C@@H](C(=O)[O-])C2)s1 ZINC001607383190 1018999094 /nfs/dbraw/zinc/99/90/94/1018999094.db2.gz NRXQNOFVBNGEPI-ZCFIWIBFSA-N -1 0 307.353 -0.773 20 0 DBADRM CS(=O)(=O)c1nccc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)n1 ZINC001607383012 1018999563 /nfs/dbraw/zinc/99/95/63/1018999563.db2.gz CKXMMYPJRIUBHW-QMMMGPOBSA-N -1 0 311.319 -0.217 20 0 DBADRM CS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001607381316 1018999585 /nfs/dbraw/zinc/99/95/85/1018999585.db2.gz ZALDEZSQXDSARY-SSDOTTSWSA-N -1 0 319.310 -0.205 20 0 DBADRM CS[C@@H](CO)[C@H](C)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001607390560 1019001049 /nfs/dbraw/zinc/00/10/49/1019001049.db2.gz VYWNIARTDOVQOW-QCLAVDOMSA-N -1 0 306.384 -0.112 20 0 DBADRM CS[C@H](CO)[C@@H](C)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001607390331 1019002621 /nfs/dbraw/zinc/00/26/21/1019002621.db2.gz SSZNZFFPTYVYFU-VXNVDRBHSA-N -1 0 317.371 -0.612 20 0 DBADRM CSC[C@@](C)(O)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001607392964 1019002776 /nfs/dbraw/zinc/00/27/76/1019002776.db2.gz QCOXHEUFFOMMQB-ZANVPECISA-N -1 0 318.395 -0.460 20 0 DBADRM C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001607422404 1019004201 /nfs/dbraw/zinc/00/42/01/1019004201.db2.gz ZFNKWXLCLAPAME-OQPBUACISA-N -1 0 302.327 -0.052 20 0 DBADRM CSCC[C@H](OC(=O)Cn1nc(C)n(C)c1=O)C(=O)[O-] ZINC001607399132 1019004317 /nfs/dbraw/zinc/00/43/17/1019004317.db2.gz YGHJOPNFJASEOU-QMMMGPOBSA-N -1 0 303.340 -0.360 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)c1cn(C)nn1 ZINC001607418881 1019004334 /nfs/dbraw/zinc/00/43/34/1019004334.db2.gz NTFKMWHGLYYENJ-ZETCQYMHSA-N -1 0 305.298 -0.466 20 0 DBADRM C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC001607421386 1019004357 /nfs/dbraw/zinc/00/43/57/1019004357.db2.gz DXVPDQBLHLSMPD-SECBINFHSA-N -1 0 324.341 -0.966 20 0 DBADRM CSCC[C@H](OC(=O)Cn1cnc(C(N)=O)n1)C(=O)[O-] ZINC001607398088 1019004762 /nfs/dbraw/zinc/00/47/62/1019004762.db2.gz CISGDMJBJQCJIN-LURJTMIESA-N -1 0 302.312 -0.874 20 0 DBADRM CSCCn1nnnc1N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001607399381 1019004881 /nfs/dbraw/zinc/00/48/81/1019004881.db2.gz GZQCIZVISJMBEX-VIFPVBQESA-N -1 0 301.372 -0.302 20 0 DBADRM CSCc1noc(CCC(=O)NCC[C@H](O)C(=O)[O-])n1 ZINC001607401192 1019004936 /nfs/dbraw/zinc/00/49/36/1019004936.db2.gz ZYVUPLVOLVPBCY-ZETCQYMHSA-N -1 0 303.340 -0.183 20 0 DBADRM CSCC[C@H](NC(=O)Nc1ccc(C(=O)[O-])nn1)C(N)=O ZINC001607400249 1019005414 /nfs/dbraw/zinc/00/54/14/1019005414.db2.gz QSMWPMWTNPHRKY-LURJTMIESA-N -1 0 313.339 -0.097 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001607416298 1019005940 /nfs/dbraw/zinc/00/59/40/1019005940.db2.gz QAMHCXUEUKPMOA-ZETCQYMHSA-N -1 0 305.290 -0.086 20 0 DBADRM C[C@@H](CCNC(=O)[C@H]1COC(=O)N1)Nc1ccnc(C(=O)[O-])n1 ZINC001607419629 1019005980 /nfs/dbraw/zinc/00/59/80/1019005980.db2.gz MRNRBGAWZXYROP-JGVFFNPUSA-N -1 0 323.309 -0.988 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CCO)C[C@H]1CC(=O)[O-] ZINC001607428031 1019006622 /nfs/dbraw/zinc/00/66/22/1019006622.db2.gz GERBYDNVPVROHX-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cc(C2CCOCC2)nn1C)C(=O)[O-] ZINC001607424821 1019007512 /nfs/dbraw/zinc/00/75/12/1019007512.db2.gz NSZDMZZEDXCNQQ-PELKAZGASA-N -1 0 311.338 -0.122 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccco2)C[C@@H](C(=O)[O-])O1 ZINC001607429239 1019010272 /nfs/dbraw/zinc/01/02/72/1019010272.db2.gz YPPPZJBJEBINLI-KOLCDFICSA-N -1 0 310.306 -0.062 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cc[nH]n2)C[C@@H](C(=O)[O-])O1 ZINC001607429201 1019010351 /nfs/dbraw/zinc/01/03/51/1019010351.db2.gz WQKRGNLJHHKQKQ-SCZZXKLOSA-N -1 0 310.310 -0.931 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)C[C@H]1C(=O)[O-] ZINC001607430332 1019010466 /nfs/dbraw/zinc/01/04/66/1019010466.db2.gz YRJBLDHFOYNODC-DDHJBXDOSA-N -1 0 320.349 -0.405 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@](C)(O)Cn2ccccc2=O)C[C@H]1C(=O)[O-] ZINC001607430090 1019010546 /nfs/dbraw/zinc/01/05/46/1019010546.db2.gz JFVUPYVZTOTKCQ-HFAKWTLXSA-N -1 0 308.334 -0.222 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(O)CC2)C[C@H]1C(=O)[O-] ZINC001607429149 1019011019 /nfs/dbraw/zinc/01/10/19/1019011019.db2.gz XTGNUPIEJFAUIZ-UEKVPHQBSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCC(S(N)(=O)=O)CC2)O[C@H]1C(=O)[O-] ZINC001607439887 1019011985 /nfs/dbraw/zinc/01/19/85/1019011985.db2.gz ZQGQZOMKQRSLKA-SZEHBUNVSA-N -1 0 320.367 -0.856 20 0 DBADRM C[C@@H]1CN(c2nnnn2C[C@@H]2COCCO2)C[C@H]1CC(=O)[O-] ZINC001607441468 1019012579 /nfs/dbraw/zinc/01/25/79/1019012579.db2.gz UHTBADKOWMEKCN-GMTAPVOTSA-N -1 0 311.342 -0.365 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC(O)(c3nccn3C)C2)O[C@H]1C(=O)[O-] ZINC001607439801 1019013605 /nfs/dbraw/zinc/01/36/05/1019013605.db2.gz RLCYLFSQIKGBBZ-OPRDCNLKSA-N -1 0 309.322 -0.672 20 0 DBADRM C[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1CNC(=O)CC(N)=O ZINC001607439438 1019013971 /nfs/dbraw/zinc/01/39/71/1019013971.db2.gz OQFGBYKLZWLVBA-RKDXNWHRSA-N -1 0 321.337 -0.761 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)CS(C)(=O)=O ZINC001607454169 1019014564 /nfs/dbraw/zinc/01/45/64/1019014564.db2.gz ULIMQZPNIPZBCV-SSDOTTSWSA-N -1 0 316.339 -0.864 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCc2cncn2C1)C(=O)[O-] ZINC001607458793 1019014716 /nfs/dbraw/zinc/01/47/16/1019014716.db2.gz QZSAWRLROIWSJH-LPEHRKFASA-N -1 0 308.338 -0.461 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001607453897 1019015165 /nfs/dbraw/zinc/01/51/65/1019015165.db2.gz NSUHEENFJGLNIA-RKDXNWHRSA-N -1 0 321.337 -0.818 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@](O)(C2CC2)C1)C(=O)[O-] ZINC001607458228 1019015939 /nfs/dbraw/zinc/01/59/39/1019015939.db2.gz IECFPGJLXAQIKL-UINNMSKDSA-N -1 0 313.354 -0.479 20 0 DBADRM C[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1cnccn1 ZINC001607454732 1019016080 /nfs/dbraw/zinc/01/60/80/1019016080.db2.gz WZJSKDWIFCNTMJ-UWVGGRQHSA-N -1 0 306.322 -0.023 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-] ZINC001607457892 1019016653 /nfs/dbraw/zinc/01/66/53/1019016653.db2.gz AXXLWFNPYCBLSP-XHNCKOQMSA-N -1 0 323.353 -0.986 20 0 DBADRM C[C@H]1CN(C(=O)C2=NN(CCO)C(=O)CC2)C[C@]1(C)C(=O)[O-] ZINC001607466712 1019017351 /nfs/dbraw/zinc/01/73/51/1019017351.db2.gz ZXSCRPCRMRIYPM-XPTSAGLGSA-N -1 0 311.338 -0.474 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C[C@@H](C(=O)[O-])O1 ZINC001607466997 1019017505 /nfs/dbraw/zinc/01/75/05/1019017505.db2.gz PUSUSVZJCNFUPZ-MMWGEVLESA-N -1 0 312.322 -0.923 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC(C(C)(C)O)C2)C[C@]1(C)C(=O)[O-] ZINC001607466144 1019018246 /nfs/dbraw/zinc/01/82/46/1019018246.db2.gz BFFHEFHKURZFPR-VFZGTOFNSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1noc2c1COCC2)C(=O)[O-] ZINC001607460068 1019019034 /nfs/dbraw/zinc/01/90/34/1019019034.db2.gz RDJRGAFTMVCYMB-BQBZGAKWSA-N -1 0 311.294 -0.545 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2ccccn2)C[C@@H](C(=O)[O-])O1 ZINC001607467321 1019020237 /nfs/dbraw/zinc/02/02/37/1019020237.db2.gz REJAZQGDDAQNKH-ONGXEEELSA-N -1 0 307.306 -0.602 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCCn2ccnc2)C[C@@H](C(=O)[O-])O1 ZINC001607467651 1019021158 /nfs/dbraw/zinc/02/11/58/1019021158.db2.gz FBZLMDAWZOFYKW-QWRGUYRKSA-N -1 0 324.337 -0.910 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cnc3n2CCC3)C[C@@H](C(=O)[O-])O1 ZINC001607478862 1019022317 /nfs/dbraw/zinc/02/23/17/1019022317.db2.gz AYDKFHIZLJQATF-IUCAKERBSA-N -1 0 315.351 -0.308 20 0 DBADRM Cc1[nH]c(C(=O)NCCCS(N)(=O)=O)c(C)c1C(=O)[O-] ZINC001607491213 1019022648 /nfs/dbraw/zinc/02/26/48/1019022648.db2.gz SILZDSCNSBTGND-UHFFFAOYSA-N -1 0 303.340 -0.262 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001607484052 1019022977 /nfs/dbraw/zinc/02/29/77/1019022977.db2.gz RTTOWRVYLOVADA-QMMMGPOBSA-N -1 0 311.294 -0.559 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCCOCC2)C[C@]1(C)C(=O)[O-] ZINC001607478864 1019023463 /nfs/dbraw/zinc/02/34/63/1019023463.db2.gz BLYBKVNWDAEGPP-JQWIXIFHSA-N -1 0 306.384 -0.004 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C)CC(=O)N1CCOCC1 ZINC001607494677 1019024118 /nfs/dbraw/zinc/02/41/18/1019024118.db2.gz FVBWWZICDZROJA-UHFFFAOYSA-N -1 0 323.349 -0.005 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1-c1nnc(N2CC[C@H](C(=O)[O-])C2)n1C ZINC001607483664 1019024174 /nfs/dbraw/zinc/02/41/74/1019024174.db2.gz DIPFYALOBCWANX-ZETCQYMHSA-N -1 0 320.309 -0.097 20 0 DBADRM Cc1[nH]c(C(=O)NCCS(=O)(=O)N(C)C)c(C)c1C(=O)[O-] ZINC001607491182 1019024585 /nfs/dbraw/zinc/02/45/85/1019024585.db2.gz QZLYNLUFDZEMAC-UHFFFAOYSA-N -1 0 317.367 -0.049 20 0 DBADRM Cc1c(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nnn1C ZINC001607508163 1019024844 /nfs/dbraw/zinc/02/48/44/1019024844.db2.gz IRZQYKQVGRQOFR-NXEZZACHSA-N -1 0 321.337 -0.968 20 0 DBADRM Cc1c(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cnn1C ZINC001607507939 1019025516 /nfs/dbraw/zinc/02/55/16/1019025516.db2.gz IKONSORMOIOXGU-NXEZZACHSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1c(C(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cnn1C ZINC001607507944 1019025562 /nfs/dbraw/zinc/02/55/62/1019025562.db2.gz IKONSORMOIOXGU-ZJUUUORDSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)C(=O)NC[C@@H]2CCCO2)n1C ZINC001607513508 1019026862 /nfs/dbraw/zinc/02/68/62/1019026862.db2.gz SEJHHPFHQYYBNC-NSHDSACASA-N -1 0 323.349 -0.057 20 0 DBADRM Cc1c(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])nnn1C(C)C ZINC001607504363 1019027255 /nfs/dbraw/zinc/02/72/55/1019027255.db2.gz LKXJIFCANYDOTJ-SECBINFHSA-N -1 0 309.326 -0.465 20 0 DBADRM Cc1c(NC(=O)C(=O)N(CCO)CC2CC2)cnn1CC(=O)[O-] ZINC001607534673 1019028067 /nfs/dbraw/zinc/02/80/67/1019028067.db2.gz AYZOUQYUXOLITO-UHFFFAOYSA-N -1 0 324.337 -0.554 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001607555811 1019028240 /nfs/dbraw/zinc/02/82/40/1019028240.db2.gz SLEHHMCVQVNHGE-VIFPVBQESA-N -1 0 309.322 -0.333 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@H](C)[C@H](O)C2)cnn1CC(=O)[O-] ZINC001607535122 1019029383 /nfs/dbraw/zinc/02/93/83/1019029383.db2.gz HZAALTAHLFCHBO-OIBJUYFYSA-N -1 0 310.310 -0.946 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCCCCO)cnn1CC(=O)[O-] ZINC001607537299 1019029687 /nfs/dbraw/zinc/02/96/87/1019029687.db2.gz ZUGQRIBFWCBLEO-UHFFFAOYSA-N -1 0 312.326 -0.507 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@@H](O)[C@@H](C)C2)cnn1CC(=O)[O-] ZINC001607535795 1019029720 /nfs/dbraw/zinc/02/97/20/1019029720.db2.gz XJKIZHUFZBNYRV-GZMMTYOYSA-N -1 0 324.337 -0.556 20 0 DBADRM Cc1c(NS(=O)(=O)N2CCCOCC2)cnn1CC(=O)[O-] ZINC001607553222 1019029814 /nfs/dbraw/zinc/02/98/14/1019029814.db2.gz ZZMZUMOHAXURNZ-UHFFFAOYSA-N -1 0 318.355 -0.345 20 0 DBADRM Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001607554926 1019029838 /nfs/dbraw/zinc/02/98/38/1019029838.db2.gz CGQQUIYBNNZWEZ-ZJUUUORDSA-N -1 0 306.322 -0.277 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cnn1C ZINC001607535119 1019029892 /nfs/dbraw/zinc/02/98/92/1019029892.db2.gz KYTMSUJARNSAAX-VHSXEESVSA-N -1 0 310.310 -0.896 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cnn1C ZINC001607528078 1019030001 /nfs/dbraw/zinc/03/00/01/1019030001.db2.gz XMUCJKSPDVJOPT-LLVKDONJSA-N -1 0 324.337 -0.953 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001607555842 1019030207 /nfs/dbraw/zinc/03/02/07/1019030207.db2.gz USNJASJBKVGLHR-SCZZXKLOSA-N -1 0 309.322 -0.335 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCOCC[C@@H]2C)cnn1CC(=O)[O-] ZINC001607535649 1019030235 /nfs/dbraw/zinc/03/02/35/1019030235.db2.gz VUJLCYANHFRXHL-VIFPVBQESA-N -1 0 324.337 -0.148 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](O)CNc2ncc(C(=O)[O-])cn2)no1 ZINC001607578172 1019030691 /nfs/dbraw/zinc/03/06/91/1019030691.db2.gz PLNUINUVKWYFQU-SECBINFHSA-N -1 0 321.293 -0.326 20 0 DBADRM Cc1cc(C(=O)NCC(=O)N2CCN(C)CC2)oc1C(=O)[O-] ZINC001607576649 1019031075 /nfs/dbraw/zinc/03/10/75/1019031075.db2.gz GQYICGIUYXYFEJ-UHFFFAOYSA-N -1 0 309.322 -0.210 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](C)Nc2ccnc(C(=O)[O-])n2)[nH]n1 ZINC001607578253 1019031170 /nfs/dbraw/zinc/03/11/70/1019031170.db2.gz UOTDUPWYVZLWCH-MRVPVSSYSA-N -1 0 304.310 -0.141 20 0 DBADRM Cc1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)ncn1 ZINC001607577789 1019032381 /nfs/dbraw/zinc/03/23/81/1019032381.db2.gz USQGKWDJIYQYPO-ZJUUUORDSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1nn(C)c2nc(C)cc(C(=O)N3CC(O)(C(=O)[O-])C3)c12 ZINC001607569131 1019032710 /nfs/dbraw/zinc/03/27/10/1019032710.db2.gz BKSKAKHCLFTQAW-UHFFFAOYSA-N -1 0 304.306 -0.143 20 0 DBADRM Cc1cc(C(N)=O)ccc1NC(=O)NCC(=O)NCC(=O)[O-] ZINC001607611974 1019033804 /nfs/dbraw/zinc/03/38/04/1019033804.db2.gz UPCFGVFHKSCEPM-UHFFFAOYSA-N -1 0 308.294 -0.584 20 0 DBADRM Cc1cc([C@H](NC(=O)CCNC(=O)CO)C(=O)[O-])ccc1F ZINC001607611913 1019034099 /nfs/dbraw/zinc/03/40/99/1019034099.db2.gz SSQRKSDCSZJYJN-ZDUSSCGKSA-N -1 0 312.297 -0.125 20 0 DBADRM Cc1cc(CCNC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)nn1C ZINC001607636941 1019035523 /nfs/dbraw/zinc/03/55/23/1019035523.db2.gz YVKYKDIAWKAZMB-KLPPZKSPSA-N -1 0 322.365 -0.291 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)no1 ZINC001607641565 1019035701 /nfs/dbraw/zinc/03/57/01/1019035701.db2.gz JPVZPGCFHKJHCI-WPRPVWTQSA-N -1 0 311.294 -0.700 20 0 DBADRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC001607660186 1019036411 /nfs/dbraw/zinc/03/64/11/1019036411.db2.gz RYMITKMOEBRNDM-AOOOYVTPSA-N -1 0 319.310 -0.442 20 0 DBADRM Cc1cc(N(C)C[C@H]2COCCO2)n2nc(C(=O)[O-])nc2n1 ZINC001607669729 1019036430 /nfs/dbraw/zinc/03/64/30/1019036430.db2.gz RTKLBVPHZREKHX-VIFPVBQESA-N -1 0 307.310 -0.017 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)c(C(=O)[O-])[nH]1 ZINC001607671306 1019036542 /nfs/dbraw/zinc/03/65/42/1019036542.db2.gz ZHRILXNTLQNEDX-QMMMGPOBSA-N -1 0 322.321 -0.303 20 0 DBADRM Cc1cc(NC(=O)CSCC(=O)N[C@@H](CO)C(=O)[O-])no1 ZINC001607679616 1019036881 /nfs/dbraw/zinc/03/68/81/1019036881.db2.gz VQBHKJOHWAZMQA-ZETCQYMHSA-N -1 0 317.323 -0.784 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c(=O)n(C)c1 ZINC001607670888 1019037139 /nfs/dbraw/zinc/03/71/39/1019037139.db2.gz QCJXIIKQAJPYMT-NXEZZACHSA-N -1 0 321.333 -0.189 20 0 DBADRM Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001607656654 1019037239 /nfs/dbraw/zinc/03/72/39/1019037239.db2.gz DIILDSSZCYQVNB-ZETCQYMHSA-N -1 0 315.713 -0.066 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1N ZINC001607669590 1019037909 /nfs/dbraw/zinc/03/79/09/1019037909.db2.gz AFBTZYGTVQVXNL-LLVKDONJSA-N -1 0 307.306 -0.172 20 0 DBADRM Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1C ZINC001607728725 1019039201 /nfs/dbraw/zinc/03/92/01/1019039201.db2.gz XFRGMZIIWLSPQH-JTQLQIEISA-N -1 0 300.336 -0.343 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)nn1 ZINC001607817288 1019042136 /nfs/dbraw/zinc/04/21/36/1019042136.db2.gz RGYAVGWXQHWRCV-UHFFFAOYSA-N -1 0 314.367 -0.434 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC(CO)(CO)C2)c(C(=O)[O-])c1 ZINC001607820199 1019042275 /nfs/dbraw/zinc/04/22/75/1019042275.db2.gz YGPJHJGKNGPCSM-UHFFFAOYSA-N -1 0 315.347 -0.331 20 0 DBADRM Cc1cccc2c(=O)n(CC(=O)NC[C@@H](O)CC(=O)[O-])cnc12 ZINC001607866513 1019042854 /nfs/dbraw/zinc/04/28/54/1019042854.db2.gz URYSNARZRKXHDS-JTQLQIEISA-N -1 0 319.317 -0.343 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](CF)C(=O)[O-])cc1 ZINC001607820308 1019043353 /nfs/dbraw/zinc/04/33/53/1019043353.db2.gz VCJNSBGTYOVFKA-SNVBAGLBSA-N -1 0 318.326 -0.188 20 0 DBADRM Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])CC(N)=O)cc1 ZINC001607817852 1019043434 /nfs/dbraw/zinc/04/34/34/1019043434.db2.gz HKYCTCKREBKYSP-UHFFFAOYSA-N -1 0 300.336 -0.054 20 0 DBADRM Cc1cccc(S(=O)(=O)NCCN(C)CCO)c1C(=O)[O-] ZINC001607863776 1019043545 /nfs/dbraw/zinc/04/35/45/1019043545.db2.gz BCCHYSCEMGGVTR-UHFFFAOYSA-N -1 0 316.379 -0.104 20 0 DBADRM Cc1ccc2ncc(C(=O)NC[C@H](O)CC(=O)[O-])c(=O)n2c1 ZINC001607833391 1019043697 /nfs/dbraw/zinc/04/36/97/1019043697.db2.gz FRNUBTMMPISBAP-SECBINFHSA-N -1 0 305.290 -0.432 20 0 DBADRM Cc1cccc(N(CC(=O)[O-])C(=O)CN2CCOCC2=O)n1 ZINC001607854382 1019043799 /nfs/dbraw/zinc/04/37/99/1019043799.db2.gz CCNCSKZYMNXLMB-UHFFFAOYSA-N -1 0 307.306 -0.334 20 0 DBADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@](C)(CO)C(=O)[O-] ZINC001607822350 1019043933 /nfs/dbraw/zinc/04/39/33/1019043933.db2.gz URCZWXJIJYVUGU-GFCCVEGCSA-N -1 0 316.335 -0.792 20 0 DBADRM Cc1cccc(CNC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n1 ZINC001607850957 1019044051 /nfs/dbraw/zinc/04/40/51/1019044051.db2.gz UXYATFSXQUVKRG-ZYHUDNBSSA-N -1 0 321.333 -0.700 20 0 DBADRM Cc1cn2ccnc(C(=O)N[C@H](CC3OCCO3)C(=O)[O-])c2n1 ZINC001607903473 1019044407 /nfs/dbraw/zinc/04/44/07/1019044407.db2.gz VVKJFDFVEMGRQX-SECBINFHSA-N -1 0 320.305 -0.016 20 0 DBADRM Cc1cn2nnc(C(=O)NC[C@]3(C(=O)[O-])CCOC3)c2c(=O)[nH]1 ZINC001607903589 1019044653 /nfs/dbraw/zinc/04/46/53/1019044653.db2.gz VTNNMXYSWKRGPV-CYBMUJFWSA-N -1 0 321.293 -0.641 20 0 DBADRM Cc1ccccc1[C@H](C(=O)[O-])N1CCN(CC(N)=O)C(=O)C1 ZINC001607874223 1019044829 /nfs/dbraw/zinc/04/48/29/1019044829.db2.gz SOSQBNIPWJTHIC-CQSZACIVSA-N -1 0 305.334 -0.250 20 0 DBADRM Cc1ccnn1CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001607899279 1019044910 /nfs/dbraw/zinc/04/49/10/1019044910.db2.gz RHMVSZAOJUGOOJ-JOYOIKCWSA-N -1 0 315.351 -0.804 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c(=O)c1 ZINC001607892379 1019046376 /nfs/dbraw/zinc/04/63/76/1019046376.db2.gz XQJZUGCHQWHBEV-NHYWBVRUSA-N -1 0 324.333 -0.780 20 0 DBADRM Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])nn21 ZINC001607896672 1019046418 /nfs/dbraw/zinc/04/64/18/1019046418.db2.gz NXNMBTZWWXDLEZ-SSDOTTSWSA-N -1 0 307.266 -0.821 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)N[C@H]1CCO[C@H]1C(=O)[O-])c2=O ZINC001607893606 1019046774 /nfs/dbraw/zinc/04/67/74/1019046774.db2.gz MIOAJHPVMGHKEQ-CMPLNLGQSA-N -1 0 317.301 -0.025 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@@H](C)/C=C/C(=O)[O-] ZINC001607911109 1019047375 /nfs/dbraw/zinc/04/73/75/1019047375.db2.gz WQWOLUWJUSNQCB-ZJELKQJVSA-N -1 0 313.335 -0.052 20 0 DBADRM Cc1cnc(C)c(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001607906103 1019047477 /nfs/dbraw/zinc/04/74/77/1019047477.db2.gz UENQAWRTYNBCKV-WDEREUQCSA-N -1 0 321.333 -0.069 20 0 DBADRM Cc1cncc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001607911213 1019047618 /nfs/dbraw/zinc/04/76/18/1019047618.db2.gz CNYMGLPQNKCPEQ-UWVGGRQHSA-N -1 0 300.336 -0.154 20 0 DBADRM Cc1cncn1CC(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607915026 1019047858 /nfs/dbraw/zinc/04/78/58/1019047858.db2.gz NAYGCAFYABUDTQ-WDEREUQCSA-N -1 0 306.322 -0.761 20 0 DBADRM Cc1cn2nnc(C(=O)N3CC[C@](F)(C(=O)[O-])C3)c2c(=O)[nH]1 ZINC001607903637 1019048414 /nfs/dbraw/zinc/04/84/14/1019048414.db2.gz YUPQWHCSHOEKGW-GFCCVEGCSA-N -1 0 309.257 -0.223 20 0 DBADRM Cc1cnc2c(C(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)cnn2c1 ZINC001607909033 1019048684 /nfs/dbraw/zinc/04/86/84/1019048684.db2.gz DJDYYLSRLFKMNF-NXEZZACHSA-N -1 0 304.306 -0.055 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@@H](CC(N)=O)C2)c1C(=O)[O-] ZINC001607937325 1019050674 /nfs/dbraw/zinc/05/06/74/1019050674.db2.gz SVJOKZPDWSLQLQ-ZETCQYMHSA-N -1 0 316.339 -0.698 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCc2cnoc2)c1C(=O)[O-] ZINC001607938689 1019051253 /nfs/dbraw/zinc/05/12/53/1019051253.db2.gz UIDIZEKGDBYOQP-UHFFFAOYSA-N -1 0 300.296 -0.075 20 0 DBADRM Cc1coc(C(=O)NCCN(CCO)C(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC001607918266 1019051692 /nfs/dbraw/zinc/05/16/92/1019051692.db2.gz NVAZJJUGLYTPLB-QWRGUYRKSA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1conc1CS(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC001607923182 1019053052 /nfs/dbraw/zinc/05/30/52/1019053052.db2.gz TWUKNRQTIDHRMR-UHFFFAOYSA-N -1 0 303.340 -0.485 20 0 DBADRM Cc1nc(CS(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])no1 ZINC001607960321 1019053455 /nfs/dbraw/zinc/05/34/55/1019053455.db2.gz QSWHDCHRYLLZQM-BDAKNGLRSA-N -1 0 319.339 -0.180 20 0 DBADRM Cc1nc(CS(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)no1 ZINC001607960449 1019053858 /nfs/dbraw/zinc/05/38/58/1019053858.db2.gz URQKKIKSLISTKG-JTQLQIEISA-N -1 0 305.312 -0.569 20 0 DBADRM Cc1nc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c[nH]1 ZINC001607943563 1019054064 /nfs/dbraw/zinc/05/40/64/1019054064.db2.gz BIYLQEBCBZSWLO-NXEZZACHSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1nc([C@H]2COCCN2C(=O)NCCOCC(=O)[O-])no1 ZINC001607952085 1019054632 /nfs/dbraw/zinc/05/46/32/1019054632.db2.gz NILACDPFTYIERD-SECBINFHSA-N -1 0 314.298 -0.438 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001607940590 1019054686 /nfs/dbraw/zinc/05/46/86/1019054686.db2.gz HKWHOXKGRSKMDW-CYBMUJFWSA-N -1 0 309.326 -0.885 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H](CO)CC2CC2)c1C(=O)[O-] ZINC001607939982 1019055500 /nfs/dbraw/zinc/05/55/00/1019055500.db2.gz JACFWDIBAGHDKM-QMMMGPOBSA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H](C)Cn2cncn2)c1C(=O)[O-] ZINC001607941117 1019055601 /nfs/dbraw/zinc/05/56/01/1019055601.db2.gz YGNCFGHRPRWRKV-LURJTMIESA-N -1 0 314.327 -0.625 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607940727 1019056052 /nfs/dbraw/zinc/05/60/52/1019056052.db2.gz JCMBIVSMNNEMMA-QCLAVDOMSA-N -1 0 321.337 -0.542 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H](CO)CC2CC2)c1C(=O)[O-] ZINC001607939981 1019056365 /nfs/dbraw/zinc/05/63/65/1019056365.db2.gz JACFWDIBAGHDKM-MRVPVSSYSA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1nc(CS(=O)(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])no1 ZINC001607960323 1019056474 /nfs/dbraw/zinc/05/64/74/1019056474.db2.gz QSWHDCHRYLLZQM-DTWKUNHWSA-N -1 0 319.339 -0.180 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])s1 ZINC001607982634 1019057569 /nfs/dbraw/zinc/05/75/69/1019057569.db2.gz FJOWSIGULFMUDI-APPZFPTMSA-N -1 0 313.335 -0.173 20 0 DBADRM Cc1nc2c(c(=O)[nH]1)CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C2 ZINC001607967740 1019057634 /nfs/dbraw/zinc/05/76/34/1019057634.db2.gz BNMVSZRBSHLZBC-ZCFIWIBFSA-N -1 0 301.324 -0.143 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](CF)C(=O)[O-] ZINC001607976889 1019057675 /nfs/dbraw/zinc/05/76/75/1019057675.db2.gz RYHCADPGBXZEOA-MRVPVSSYSA-N -1 0 310.289 -0.595 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607975317 1019057817 /nfs/dbraw/zinc/05/78/17/1019057817.db2.gz ABCUVEASFSXYGT-DTWKUNHWSA-N -1 0 320.305 -0.848 20 0 DBADRM Cc1ncc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1C ZINC001607976218 1019058621 /nfs/dbraw/zinc/05/86/21/1019058621.db2.gz XUGULMHHHFYNSB-NXEZZACHSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1nc(NC(=O)[C@@H]2CCS(=O)(=O)N2)sc1C(=O)[O-] ZINC001607963033 1019059144 /nfs/dbraw/zinc/05/91/44/1019059144.db2.gz ZWOJKIWMUPETAS-YFKPBYRVSA-N -1 0 305.337 -0.220 20 0 DBADRM Cc1ncc(NC(=O)CN2CCN(C)C(=O)C2)cc1C(=O)[O-] ZINC001607980460 1019059189 /nfs/dbraw/zinc/05/91/89/1019059189.db2.gz HPBHHMIFCCXYKX-UHFFFAOYSA-N -1 0 306.322 -0.199 20 0 DBADRM Cc1nc[nH]c(=O)c1CCC(=O)OCC(=O)NCCC(=O)[O-] ZINC001607976361 1019059385 /nfs/dbraw/zinc/05/93/85/1019059385.db2.gz TYEYAHFJFLIDRM-UHFFFAOYSA-N -1 0 311.294 -0.443 20 0 DBADRM Cc1nc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)sc1C ZINC001607967760 1019059439 /nfs/dbraw/zinc/05/94/39/1019059439.db2.gz CRHOXPRUGINNFC-JTQLQIEISA-N -1 0 306.365 -0.030 20 0 DBADRM Cc1nn(C)c(C)c1CNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001607997990 1019059778 /nfs/dbraw/zinc/05/97/78/1019059778.db2.gz AWTKCGSSSLZNMJ-PHIMTYICSA-N -1 0 322.365 -0.025 20 0 DBADRM Cc1nccn1CCCNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001607989779 1019060231 /nfs/dbraw/zinc/06/02/31/1019060231.db2.gz URBYFQKHSFIOPX-PHIMTYICSA-N -1 0 308.338 -0.323 20 0 DBADRM Cc1ncncc1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607991084 1019060359 /nfs/dbraw/zinc/06/03/59/1019060359.db2.gz USKXEMRPWPAUFY-WDEREUQCSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1ncn(C)c1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001607990389 1019060839 /nfs/dbraw/zinc/06/08/39/1019060839.db2.gz HMBMVDBSVLDCGC-QWRGUYRKSA-N -1 0 320.349 -0.266 20 0 DBADRM Cc1ncncc1C(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001607990657 1019060976 /nfs/dbraw/zinc/06/09/76/1019060976.db2.gz LMYMNHBGOIYJSB-QMMMGPOBSA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001607995456 1019061902 /nfs/dbraw/zinc/06/19/02/1019061902.db2.gz BKAUVTVLCJKCJC-ZDUSSCGKSA-N -1 0 305.294 -0.464 20 0 DBADRM Cc1ncn(C)c1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607991337 1019062150 /nfs/dbraw/zinc/06/21/50/1019062150.db2.gz XJMYSUORVRPJGJ-MNOVXSKESA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1nccc(CNC(=O)NCCC(=O)NCCC(=O)[O-])n1 ZINC001607986403 1019062283 /nfs/dbraw/zinc/06/22/83/1019062283.db2.gz DVPCOSZVPZZZCC-UHFFFAOYSA-N -1 0 309.326 -0.435 20 0 DBADRM Cc1nn(CCS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])c(=O)o1 ZINC001608010969 1019063118 /nfs/dbraw/zinc/06/31/18/1019063118.db2.gz BMZLVRXYDJUEGR-NSHDSACASA-N -1 0 319.339 -0.586 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001608004022 1019063180 /nfs/dbraw/zinc/06/31/80/1019063180.db2.gz DWUPJPXZPDDWPK-JTQLQIEISA-N -1 0 308.338 -0.321 20 0 DBADRM Cc1nn(CC(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)c(=O)n1C ZINC001608004173 1019063308 /nfs/dbraw/zinc/06/33/08/1019063308.db2.gz QYXBECDUIGCWID-GFCCVEGCSA-N -1 0 320.305 -0.462 20 0 DBADRM Cc1nn(C)c(C)c1CCC(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001607999806 1019063473 /nfs/dbraw/zinc/06/34/73/1019063473.db2.gz SUSMWAPLCAMGFW-LBPRGKRZSA-N -1 0 320.353 -0.169 20 0 DBADRM Cc1nn(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c(=O)n1C ZINC001608012310 1019063922 /nfs/dbraw/zinc/06/39/22/1019063922.db2.gz ZYYQBWLRBRTEKC-SNVBAGLBSA-N -1 0 321.341 -0.525 20 0 DBADRM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCN(C(=O)CO)CC1 ZINC001608008522 1019063937 /nfs/dbraw/zinc/06/39/37/1019063937.db2.gz KHKGCBTZFVYIMM-UHFFFAOYSA-N -1 0 324.381 -0.389 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001608004596 1019064128 /nfs/dbraw/zinc/06/41/28/1019064128.db2.gz NWWKTUXGTUEHSF-LBPRGKRZSA-N -1 0 310.354 -0.469 20 0 DBADRM Cc1nn(CCO)c(C)c1CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001608009006 1019064253 /nfs/dbraw/zinc/06/42/53/1019064253.db2.gz CNUSCKQQVIVLDQ-LBPRGKRZSA-N -1 0 310.354 -0.733 20 0 DBADRM Cc1nn(CC(=O)NCc2ccc(C(=O)[O-])s2)c(=O)n1C ZINC001608003558 1019064328 /nfs/dbraw/zinc/06/43/28/1019064328.db2.gz GCQQMQQUEWDYJT-UHFFFAOYSA-N -1 0 310.335 -0.034 20 0 DBADRM Cc1nnc(CC(=O)N2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001608013771 1019065846 /nfs/dbraw/zinc/06/58/46/1019065846.db2.gz NYOHHTWXQPOLPD-UWVGGRQHSA-N -1 0 322.321 -0.784 20 0 DBADRM Cc1nnccc1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001608017740 1019066086 /nfs/dbraw/zinc/06/60/86/1019066086.db2.gz JXMPMWQOZIWXBO-VIFPVBQESA-N -1 0 313.335 -0.501 20 0 DBADRM CC1N=NC(=S)N1CCNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001608019188 1019066103 /nfs/dbraw/zinc/06/61/03/1019066103.db2.gz QEEVSHCVMIABFB-UHFFFAOYSA-N -1 0 310.339 -0.414 20 0 DBADRM Cc1nnc(COCC(=O)Nc2n[nH]c(CC(=O)[O-])n2)s1 ZINC001608016608 1019066406 /nfs/dbraw/zinc/06/64/06/1019066406.db2.gz RRQBUYZJWYWWRC-UHFFFAOYSA-N -1 0 312.311 -0.253 20 0 DBADRM Cc1nnc(N2C[C@@H](CC(=O)[O-])[C@H](O)C2)n1CC1(O)CCC1 ZINC001608014461 1019066836 /nfs/dbraw/zinc/06/68/36/1019066836.db2.gz GCZBNGWHZCXGCQ-GHMZBOCLSA-N -1 0 310.354 -0.227 20 0 DBADRM Cc1nnccc1C(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608018174 1019067311 /nfs/dbraw/zinc/06/73/11/1019067311.db2.gz SGWBHBLGAFUVFS-QWRGUYRKSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1nnc(COCC(=O)OCC(=O)NCC(=O)[O-])s1 ZINC001608014655 1019067555 /nfs/dbraw/zinc/06/75/55/1019067555.db2.gz AGTFHBLJHVXFFS-UHFFFAOYSA-N -1 0 303.296 -0.893 20 0 DBADRM Cc1noc([C@@H]2OCC[C@@H]2NS(=O)(=O)C[C@@H](C)C(=O)[O-])n1 ZINC001608029448 1019069089 /nfs/dbraw/zinc/06/90/89/1019069089.db2.gz VAGOQJWXHCCHCU-BWVDBABLSA-N -1 0 319.339 -0.152 20 0 DBADRM Cc1oc(CNC(=O)N2CC(S(N)(=O)=O)C2)cc1C(=O)[O-] ZINC001608049388 1019069722 /nfs/dbraw/zinc/06/97/22/1019069722.db2.gz RVIQQMVCDGBQNH-UHFFFAOYSA-N -1 0 317.323 -0.531 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C)C[C@H]1CO ZINC001608038195 1019069836 /nfs/dbraw/zinc/06/98/36/1019069836.db2.gz BVSATICEAHJNKD-VIFPVBQESA-N -1 0 318.351 -0.417 20 0 DBADRM Cn1c(=O)oc2c1cccc2C(=O)OCC(=O)NCCC(=O)[O-] ZINC001608077517 1019071715 /nfs/dbraw/zinc/07/17/15/1019071715.db2.gz ZMHJDZWMCIIOOR-UHFFFAOYSA-N -1 0 322.273 -0.121 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)c1=O ZINC001608077833 1019072349 /nfs/dbraw/zinc/07/23/49/1019072349.db2.gz LZOHBMXZKDHRBT-YTWAJWBKSA-N -1 0 321.333 -0.838 20 0 DBADRM Cc1occc1C(=O)NCC(=O)OCC(=O)NCCC(=O)[O-] ZINC001608055351 1019072499 /nfs/dbraw/zinc/07/24/99/1019072499.db2.gz BHUBNZHWFGKPHO-UHFFFAOYSA-N -1 0 312.278 -0.548 20 0 DBADRM Cn1c2[nH]c(CCC(=O)OC3(C(=O)[O-])CC3)nc2c(=O)[nH]c1=O ZINC001608076360 1019073474 /nfs/dbraw/zinc/07/34/74/1019073474.db2.gz WXKPREDHLJQXFZ-UHFFFAOYSA-N -1 0 322.277 -0.545 20 0 DBADRM Cn1c(=O)ccn(CC(=O)OC[C@@H]2CCCC[C@H]2C(=O)[O-])c1=O ZINC001608077935 1019073834 /nfs/dbraw/zinc/07/38/34/1019073834.db2.gz NNLGCISDOAFHEI-WDEREUQCSA-N -1 0 324.333 -0.019 20 0 DBADRM Cn1c(CCC(N)=O)nnc1SCCCC(=O)C(=O)[O-] ZINC001608086068 1019074460 /nfs/dbraw/zinc/07/44/60/1019074460.db2.gz XHLAAVBRHNTCBM-UHFFFAOYSA-N -1 0 300.340 -0.241 20 0 DBADRM CN1C(=O)N=NC1CNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001608088094 1019074485 /nfs/dbraw/zinc/07/44/85/1019074485.db2.gz LEXGHSSOJOPMJT-UHFFFAOYSA-N -1 0 313.295 -0.908 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NC(C)(C)CNS(C)(=O)=O ZINC001608083392 1019074534 /nfs/dbraw/zinc/07/45/34/1019074534.db2.gz RPKQAGIGIJHWOV-UHFFFAOYSA-N -1 0 317.367 -0.219 20 0 DBADRM Cn1cc(-n2cc(C(=O)N[C@@H](CF)C(=O)[O-])ccc2=O)cn1 ZINC001608093570 1019074935 /nfs/dbraw/zinc/07/49/35/1019074935.db2.gz FXWNYFIEOVNSLA-JTQLQIEISA-N -1 0 308.269 -0.277 20 0 DBADRM Cn1c(N2CC[C@@](F)(C(=O)[O-])C2)nnc1[C@]1(C)CNC(=O)C1 ZINC001608090712 1019075608 /nfs/dbraw/zinc/07/56/08/1019075608.db2.gz ANJUPIJZNXRSAZ-STQMWFEESA-N -1 0 311.317 -0.404 20 0 DBADRM Cn1c(N2CC[C@@](F)(C(=O)[O-])C2)nnc1C1(O)CCOCC1 ZINC001608090955 1019075845 /nfs/dbraw/zinc/07/58/45/1019075845.db2.gz OAEWVHZVNBEZSB-LBPRGKRZSA-N -1 0 314.317 -0.184 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N[C@H]1CCc2nnnn2CC1 ZINC001608082932 1019075950 /nfs/dbraw/zinc/07/59/50/1019075950.db2.gz WINJMLLSOJGZLX-QMMMGPOBSA-N -1 0 304.310 -0.155 20 0 DBADRM Cn1c(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])nc2ccccc2c1=O ZINC001608085585 1019076116 /nfs/dbraw/zinc/07/61/16/1019076116.db2.gz JWFKQKHNVKHENR-JOYOIKCWSA-N -1 0 303.318 -0.047 20 0 DBADRM Cn1cc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001608098112 1019077027 /nfs/dbraw/zinc/07/70/27/1019077027.db2.gz ILWYFBQJUQVRAW-ZUZCIYMTSA-N -1 0 323.349 -0.153 20 0 DBADRM Cn1cc(C(=O)CCC(=O)OCCn2cc(C(=O)[O-])nn2)cn1 ZINC001608097342 1019077146 /nfs/dbraw/zinc/07/71/46/1019077146.db2.gz XNJJDOPBTRNJEC-UHFFFAOYSA-N -1 0 321.293 -0.084 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])ccc1=O ZINC001608096399 1019077224 /nfs/dbraw/zinc/07/72/24/1019077224.db2.gz KWZQVAHAMLGLPQ-JTQLQIEISA-N -1 0 307.306 -0.809 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001608097637 1019077345 /nfs/dbraw/zinc/07/73/45/1019077345.db2.gz DJNBUNVVJRYWJR-HJQYOEGKSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1cc(C(=O)CN2C(=O)N[C@](C)(CCC(=O)[O-])C2=O)cn1 ZINC001608096655 1019078126 /nfs/dbraw/zinc/07/81/26/1019078126.db2.gz IHCHEJTWBOLYFR-CYBMUJFWSA-N -1 0 308.294 -0.222 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CCSC[C@H]1CO ZINC001608101800 1019078776 /nfs/dbraw/zinc/07/87/76/1019078776.db2.gz FSKRYPDOLHYFIV-SECBINFHSA-N -1 0 320.392 -0.178 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)NCCS(=O)(=O)C2CC2)n1 ZINC001608102179 1019078878 /nfs/dbraw/zinc/07/88/78/1019078878.db2.gz FICRSMWNHHSXQQ-UHFFFAOYSA-N -1 0 316.339 -0.183 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)cn1 ZINC001608109292 1019079604 /nfs/dbraw/zinc/07/96/04/1019079604.db2.gz BEJATRYLZGOPOP-GFCCVEGCSA-N -1 0 322.365 -0.304 20 0 DBADRM Cn1cc(C(=O)O[C@H]2C=CC[C@@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC001608105458 1019079883 /nfs/dbraw/zinc/07/98/83/1019079883.db2.gz FHNQSOCSYYABSJ-BDAKNGLRSA-N -1 0 308.290 -0.340 20 0 DBADRM Cn1cc([C@H](NC(=O)N2CC(O)(C(=O)[O-])C2)C(F)(F)F)cn1 ZINC001608105535 1019080588 /nfs/dbraw/zinc/08/05/88/1019080588.db2.gz FVYYRFNETRBRPA-ZETCQYMHSA-N -1 0 322.243 -0.136 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)Cc2ccc(C(=O)[O-])nc2)cn1 ZINC001608106480 1019080656 /nfs/dbraw/zinc/08/06/56/1019080656.db2.gz VUIAJOIAMMEDNX-GFCCVEGCSA-N -1 0 304.306 -0.094 20 0 DBADRM Cn1cc(CN2CCC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001608112759 1019081685 /nfs/dbraw/zinc/08/16/85/1019081685.db2.gz PVESDPXEWHEDNI-CHWSQXEVSA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N[C@H](CCF)C(=O)[O-])CC2=O)cn1 ZINC001608117093 1019081736 /nfs/dbraw/zinc/08/17/36/1019081736.db2.gz GNWZHJAJJMASNK-PSASIEDQSA-N -1 0 312.301 -0.298 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)NCCSCCC(=O)[O-])cn1 ZINC001608110644 1019082251 /nfs/dbraw/zinc/08/22/51/1019082251.db2.gz KCZVNZFNKMGEMK-SNVBAGLBSA-N -1 0 301.368 -0.352 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCCSCC(=O)[O-])ccc1=O ZINC001608116419 1019083265 /nfs/dbraw/zinc/08/32/65/1019083265.db2.gz RSBUEMSQBMUWNB-UHFFFAOYSA-N -1 0 313.335 -0.742 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N[C@H](CF)C(=O)[O-])CCC2=O)cn1 ZINC001608117641 1019083325 /nfs/dbraw/zinc/08/33/25/1019083325.db2.gz PHCXYMDZKMYIPF-WCBMZHEXSA-N -1 0 312.301 -0.298 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)NC[C@H]3C[C@H]3C(=O)[O-])C2=O)cn1 ZINC001608117507 1019083391 /nfs/dbraw/zinc/08/33/91/1019083391.db2.gz LEKHPYWWYJLJOX-FBIMIBRVSA-N -1 0 321.337 -0.455 20 0 DBADRM Cn1ccc(CC(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001608126788 1019084283 /nfs/dbraw/zinc/08/42/83/1019084283.db2.gz ONCNTRFTLFPPIZ-MNOVXSKESA-N -1 0 306.322 -0.990 20 0 DBADRM CC(C)=CC(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001502553402 1019084421 /nfs/dbraw/zinc/08/44/21/1019084421.db2.gz YHJUJAQRYIYZHW-AWEZNQCLSA-N -1 0 309.370 -0.080 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])cn1 ZINC001608121880 1019084405 /nfs/dbraw/zinc/08/44/05/1019084405.db2.gz JCACJTYTSALGAF-NSHDSACASA-N -1 0 313.339 -0.562 20 0 DBADRM Cn1cc(NC(=O)CCCn2ccc(C(=O)[O-])n2)c(C(N)=O)n1 ZINC001608118899 1019084441 /nfs/dbraw/zinc/08/44/41/1019084441.db2.gz SAKFCFPRTMRSGT-UHFFFAOYSA-N -1 0 320.309 -0.167 20 0 DBADRM Cn1ccc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)c1 ZINC001608123894 1019084678 /nfs/dbraw/zinc/08/46/78/1019084678.db2.gz XVQIMACMTTVTPK-UHFFFAOYSA-N -1 0 300.336 -0.213 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001608120489 1019085127 /nfs/dbraw/zinc/08/51/27/1019085127.db2.gz YPJONYKGGGQRDD-UHFFFAOYSA-N -1 0 306.278 -0.698 20 0 DBADRM Cn1ccc(C(=O)N2CCN(c3ccc(C(=O)[O-])nn3)CC2)n1 ZINC001608123895 1019086205 /nfs/dbraw/zinc/08/62/05/1019086205.db2.gz XXELDEAMOYPLPG-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM Cn1ccc([C@H](NC(=O)c2cc3n(n2)CCCO3)C(=O)[O-])n1 ZINC001608124805 1019086369 /nfs/dbraw/zinc/08/63/69/1019086369.db2.gz LJXTXYFUPQPXED-NSHDSACASA-N -1 0 305.294 -0.045 20 0 DBADRM Cn1cccc1C(=O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001608130423 1019086699 /nfs/dbraw/zinc/08/66/99/1019086699.db2.gz SAVOXUMAEQEBPW-JTQLQIEISA-N -1 0 314.363 -0.219 20 0 DBADRM Cn1ccnc1[C@H]1CNCCN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001608132523 1019086801 /nfs/dbraw/zinc/08/68/01/1019086801.db2.gz DRGTZPUMYRKTFY-LLVKDONJSA-N -1 0 318.337 -0.512 20 0 DBADRM Cn1ccnc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)c1=O ZINC001608128645 1019087102 /nfs/dbraw/zinc/08/71/02/1019087102.db2.gz FFYAMHRISDBQSB-MRVPVSSYSA-N -1 0 308.294 -0.958 20 0 DBADRM Cn1ccn2c(CNCc3c[nH]c(C(=O)[O-])c3)nnc2c1=O ZINC001608129736 1019087663 /nfs/dbraw/zinc/08/76/63/1019087663.db2.gz UZNLFPAMPLZJLH-UHFFFAOYSA-N -1 0 302.294 -0.256 20 0 DBADRM Cn1cccc(C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])c1=O ZINC001608129533 1019088741 /nfs/dbraw/zinc/08/87/41/1019088741.db2.gz BQUOMFOANWMYJP-AWEZNQCLSA-N -1 0 304.306 -0.145 20 0 DBADRM Cn1cncc1CCOC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001608136705 1019090133 /nfs/dbraw/zinc/09/01/33/1019090133.db2.gz GXYZKXNYBRNENT-NSHDSACASA-N -1 0 309.322 -0.171 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)n1 ZINC001608135939 1019090852 /nfs/dbraw/zinc/09/08/52/1019090852.db2.gz ZXYTUUOYEGTITA-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cn1cnn(CC(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)c1=O ZINC001608137368 1019090965 /nfs/dbraw/zinc/09/09/65/1019090965.db2.gz IUDACZINACOOHB-UHFFFAOYSA-N -1 0 311.685 -0.033 20 0 DBADRM Cn1cnn(CC(=O)Nc2cc(C(=O)[O-])cnc2Cl)c1=O ZINC001608137862 1019091324 /nfs/dbraw/zinc/09/13/24/1019091324.db2.gz XVAHBLOWLIBXPW-UHFFFAOYSA-N -1 0 311.685 -0.033 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1 ZINC001608135780 1019091534 /nfs/dbraw/zinc/09/15/34/1019091534.db2.gz QDVONRINZOEZIL-ABAIWWIYSA-N -1 0 320.349 -0.108 20 0 DBADRM Cn1cnn(CC(=O)NCc2ccc(C(=O)[O-])cc2F)c1=O ZINC001608137253 1019091878 /nfs/dbraw/zinc/09/18/78/1019091878.db2.gz BZSGNXYNXFQGCV-UHFFFAOYSA-N -1 0 308.269 -0.265 20 0 DBADRM Cn1cnc(CNS(=O)(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC001608135714 1019091961 /nfs/dbraw/zinc/09/19/61/1019091961.db2.gz MCSYQJDSCHNHFS-UHFFFAOYSA-N -1 0 310.335 -0.079 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001608144935 1019092140 /nfs/dbraw/zinc/09/21/40/1019092140.db2.gz HTPJSCJSCZYVCL-QIPHIMSASA-N -1 0 321.289 -0.223 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001608140817 1019092194 /nfs/dbraw/zinc/09/21/94/1019092194.db2.gz YNHIZFXIYGDQDL-QMMMGPOBSA-N -1 0 300.294 -0.931 20 0 DBADRM Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)NC1(C(=O)[O-])CC1 ZINC001608149044 1019092432 /nfs/dbraw/zinc/09/24/32/1019092432.db2.gz VFLOOPGMEUMGLU-VIFPVBQESA-N -1 0 322.321 -0.057 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1N ZINC001608156062 1019093993 /nfs/dbraw/zinc/09/39/93/1019093993.db2.gz XCHRVKXXSLGPOT-FNCVBFRFSA-N -1 0 321.337 -0.900 20 0 DBADRM Cn1nc(NC(=O)N[C@H]2CCCS(=O)(=O)C2)cc1C(=O)[O-] ZINC001608149724 1019094128 /nfs/dbraw/zinc/09/41/28/1019094128.db2.gz AFDUODUCUMKESP-ZETCQYMHSA-N -1 0 316.339 -0.183 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCC[C@@H](CO)CC1 ZINC001608155697 1019094516 /nfs/dbraw/zinc/09/45/16/1019094516.db2.gz SRZYUAIMAWJLBT-SECBINFHSA-N -1 0 324.337 -0.322 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCCn1ccnc1 ZINC001608155468 1019095948 /nfs/dbraw/zinc/09/59/48/1019095948.db2.gz RUWHPRVVZNAJPS-UHFFFAOYSA-N -1 0 320.309 -0.540 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)N1CCC(O)(C(=O)[O-])CC1)CC2 ZINC001608161006 1019096579 /nfs/dbraw/zinc/09/65/79/1019096579.db2.gz YWKQQIFYAMZVGE-JTQLQIEISA-N -1 0 307.350 -0.037 20 0 DBADRM Cn1nccc1[C@H](O)CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001608164594 1019096861 /nfs/dbraw/zinc/09/68/61/1019096861.db2.gz OOCUNRAJVXYPKX-KHQFGBGNSA-N -1 0 303.340 -0.764 20 0 DBADRM Cn1nccc1C(=O)CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001608162114 1019097896 /nfs/dbraw/zinc/09/78/96/1019097896.db2.gz FFBXKDQNPVNZMH-CYBMUJFWSA-N -1 0 308.294 -0.222 20 0 DBADRM Cn1nccc1C(=O)N1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608162472 1019098138 /nfs/dbraw/zinc/09/81/38/1019098138.db2.gz LKUOMBSRNPTZCK-MNOVXSKESA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1nnc(CN2CCC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001608165051 1019098745 /nfs/dbraw/zinc/09/87/45/1019098745.db2.gz AOWSQJJRYBACHJ-NXEZZACHSA-N -1 0 308.342 -0.989 20 0 DBADRM Cn1nccc1CC(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608166029 1019099475 /nfs/dbraw/zinc/09/94/75/1019099475.db2.gz VYKVYWQZOWQPPR-QWRGUYRKSA-N -1 0 306.322 -0.990 20 0 DBADRM Cn1nnc2c1nccc2C(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001608168177 1019100402 /nfs/dbraw/zinc/10/04/02/1019100402.db2.gz USABUBVKCAGJOS-ZDUSSCGKSA-N -1 0 305.294 -0.416 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)NCCC(=O)NCCC(=O)[O-])CC2 ZINC001608166959 1019100660 /nfs/dbraw/zinc/10/06/60/1019100660.db2.gz DABXJYKDELZNNK-SECBINFHSA-N -1 0 323.353 -0.983 20 0 DBADRM Cn1nccc1S(=O)(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001608166314 1019101128 /nfs/dbraw/zinc/10/11/28/1019101128.db2.gz DBDHETPVBIAKLX-RKDXNWHRSA-N -1 0 303.340 -0.564 20 0 DBADRM Cn1nccc1COCC(=O)N[C@@H](Cn1ccnc1)C(=O)[O-] ZINC001608165592 1019101286 /nfs/dbraw/zinc/10/12/86/1019101286.db2.gz OIZZNSNGMBTGKE-NSHDSACASA-N -1 0 307.310 -0.597 20 0 DBADRM Cn1nnc(CNCC2(CCNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001608167595 1019101313 /nfs/dbraw/zinc/10/13/13/1019101313.db2.gz NMJAPPBEPYSMGH-ZJUUUORDSA-N -1 0 322.369 -0.693 20 0 DBADRM Cn1nnnc1CCCNC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001608169123 1019103488 /nfs/dbraw/zinc/10/34/88/1019103488.db2.gz IIKLJKYFRTZRGW-UHFFFAOYSA-N -1 0 319.325 -0.014 20 0 DBADRM NC(=O)C(=O)N1CCCC[C@@H]1CCNc1ncc(C(=O)[O-])cn1 ZINC001608226687 1019114308 /nfs/dbraw/zinc/11/43/08/1019114308.db2.gz CUIJKWRWJPFEKV-SNVBAGLBSA-N -1 0 321.337 -0.157 20 0 DBADRM NC(=O)C1(CNS(=O)(=O)C2(C(=O)[O-])CCC2)CCOCC1 ZINC001608228296 1019116188 /nfs/dbraw/zinc/11/61/88/1019116188.db2.gz JNTAFMFKVILQIS-UHFFFAOYSA-N -1 0 320.367 -0.805 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)Cc2ccc(C(=O)[O-])nc2)CC1 ZINC001608229002 1019116717 /nfs/dbraw/zinc/11/67/17/1019116717.db2.gz CYFUAZWELQHKHX-UHFFFAOYSA-N -1 0 307.306 -0.839 20 0 DBADRM NC(=O)C1(C(=O)N2CCN(c3ccc(C(=O)[O-])nn3)CC2)CC1 ZINC001608227775 1019117038 /nfs/dbraw/zinc/11/70/38/1019117038.db2.gz DGAAVTALUBBSKH-UHFFFAOYSA-N -1 0 319.321 -0.911 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001608229746 1019117783 /nfs/dbraw/zinc/11/77/83/1019117783.db2.gz NRZFTFFACLPJIA-XRNSZHNASA-N -1 0 306.322 -0.306 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])C1 ZINC001608230792 1019118413 /nfs/dbraw/zinc/11/84/13/1019118413.db2.gz HJPHFKJPSLXYCJ-ZCFIWIBFSA-N -1 0 311.319 -0.281 20 0 DBADRM NC(=O)CC(=O)NCCCN(c1ccnc(C(=O)[O-])n1)C1CC1 ZINC001608230279 1019118641 /nfs/dbraw/zinc/11/86/41/1019118641.db2.gz UZOFXFHPWJTXDL-UHFFFAOYSA-N -1 0 321.337 -0.475 20 0 DBADRM NC(=O)CC(=O)N1CCCC2(CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)C1 ZINC001608230665 1019119018 /nfs/dbraw/zinc/11/90/18/1019119018.db2.gz YKDXXACHOYQHLO-VHSXEESVSA-N -1 0 323.349 -0.967 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001608229743 1019120208 /nfs/dbraw/zinc/12/02/08/1019120208.db2.gz NRZFTFFACLPJIA-PEXQALLHSA-N -1 0 306.322 -0.306 20 0 DBADRM NC(=O)CCNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001608234538 1019121445 /nfs/dbraw/zinc/12/14/45/1019121445.db2.gz WIQLXGKCAMZWMJ-UHFFFAOYSA-N -1 0 322.321 -0.573 20 0 DBADRM NC(=O)CN(CC(N)=O)C(=O)c1ccccc1CCC(=O)[O-] ZINC001608234934 1019121646 /nfs/dbraw/zinc/12/16/46/1019121646.db2.gz QMAQYMIFKAWCBM-UHFFFAOYSA-N -1 0 307.306 -0.883 20 0 DBADRM NC(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001608233966 1019121935 /nfs/dbraw/zinc/12/19/35/1019121935.db2.gz HSAAPEYYJJFEKW-UHFFFAOYSA-N -1 0 313.697 -0.032 20 0 DBADRM NC(=O)C1(O)CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC001608231095 1019121988 /nfs/dbraw/zinc/12/19/88/1019121988.db2.gz XOYGILDWOHWGOT-UHFFFAOYSA-N -1 0 321.333 -0.365 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)OCC(=O)NCCC(=O)[O-])C1 ZINC001608233129 1019122314 /nfs/dbraw/zinc/12/23/14/1019122314.db2.gz VSYFZXMNHYEGKY-BDAKNGLRSA-N -1 0 300.311 -0.588 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2occc2C(=O)[O-])O1 ZINC001608231381 1019122398 /nfs/dbraw/zinc/12/23/98/1019122398.db2.gz GLQCTFYRCMHYJM-XPUUQOCRSA-N -1 0 318.307 -0.711 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)Cc2ccc(C(=O)[O-])nc2)O1 ZINC001608231971 1019122830 /nfs/dbraw/zinc/12/28/30/1019122830.db2.gz IZRUADYFDQHOCX-GXSJLCMTSA-N -1 0 307.306 -0.529 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nc2)CCO1 ZINC001608231274 1019123063 /nfs/dbraw/zinc/12/30/63/1019123063.db2.gz DLOTYVIULFSIBY-SECBINFHSA-N -1 0 308.294 -0.112 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2occc2C(=O)[O-])O1 ZINC001608231379 1019123087 /nfs/dbraw/zinc/12/30/87/1019123087.db2.gz GLQCTFYRCMHYJM-SVRRBLITSA-N -1 0 318.307 -0.711 20 0 DBADRM NC(=O)[C@H]1CC[C@@H]1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001608233245 1019123889 /nfs/dbraw/zinc/12/38/89/1019123889.db2.gz XVBSOXFRULDABJ-IUCAKERBSA-N -1 0 309.322 -0.280 20 0 DBADRM NC(=O)C[C@H]1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1 ZINC001608231938 1019124072 /nfs/dbraw/zinc/12/40/72/1019124072.db2.gz WWEQUKBKQRSEGT-ZJUUUORDSA-N -1 0 311.338 -0.967 20 0 DBADRM NC(=O)N1CCCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)CC1 ZINC001608237113 1019125884 /nfs/dbraw/zinc/12/58/84/1019125884.db2.gz QLVXITWBXJLMFK-UHFFFAOYSA-N -1 0 322.321 -0.841 20 0 DBADRM NC(=O)CN(C1CCCC1)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001608235279 1019126181 /nfs/dbraw/zinc/12/61/81/1019126181.db2.gz ZDDGIOXJFSZJIW-UHFFFAOYSA-N -1 0 304.368 -0.089 20 0 DBADRM NC(=O)Cc1ccc(CNCc2cn(CC(=O)[O-])nn2)cc1 ZINC001608237029 1019126400 /nfs/dbraw/zinc/12/64/00/1019126400.db2.gz KZBOSBIOXJGZKM-UHFFFAOYSA-N -1 0 303.322 -0.320 20 0 DBADRM NC(=O)Cc1occc1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001608236736 1019126925 /nfs/dbraw/zinc/12/69/25/1019126925.db2.gz CREAEZXQHLBVOE-BJOHPYRUSA-N -1 0 322.317 -0.129 20 0 DBADRM NC(=O)N[C@H](CC(=O)NC[C@@H](O)CC(=O)[O-])c1ccccc1 ZINC001608237888 1019127779 /nfs/dbraw/zinc/12/77/79/1019127779.db2.gz IHAYTPVNMIMKGC-WDEREUQCSA-N -1 0 309.322 -0.262 20 0 DBADRM NC(=O)c1ccc(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)cn1 ZINC001608242927 1019128934 /nfs/dbraw/zinc/12/89/34/1019128934.db2.gz KLTQSXGEGSCWGO-NXEZZACHSA-N -1 0 307.306 -0.352 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])O1 ZINC001608241037 1019129567 /nfs/dbraw/zinc/12/95/67/1019129567.db2.gz XDEVFTYYXLLASC-UYAYMFIHSA-N -1 0 300.311 -0.842 20 0 DBADRM NC(=O)c1ccc(C(=O)NCCn2cc(C(=O)[O-])nn2)s1 ZINC001608242871 1019129619 /nfs/dbraw/zinc/12/96/19/1019129619.db2.gz HHQWCEFTMVHUDT-UHFFFAOYSA-N -1 0 309.307 -0.433 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(CC(=O)[O-])cc2)O1 ZINC001608241012 1019129847 /nfs/dbraw/zinc/12/98/47/1019129847.db2.gz VROLHQSAFKVAOD-NWDGAFQWSA-N -1 0 306.318 -0.037 20 0 DBADRM NC(=O)[C@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC001608240841 1019131354 /nfs/dbraw/zinc/13/13/54/1019131354.db2.gz MDJRZRSDOWMMHD-KBTIHESUSA-N -1 0 304.349 -0.012 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC001608240080 1019131398 /nfs/dbraw/zinc/13/13/98/1019131398.db2.gz NRLQNEDQBCGMGZ-OCAPTIKFSA-N -1 0 323.280 -0.158 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cc1 ZINC001608244474 1019132453 /nfs/dbraw/zinc/13/24/53/1019132453.db2.gz DRVCJPZVDGIQIF-WCQYABFASA-N -1 0 322.317 -0.399 20 0 DBADRM NC(=O)c1csc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])c1 ZINC001608246124 1019132775 /nfs/dbraw/zinc/13/27/75/1019132775.db2.gz VMDWFVSJQLUHMU-SSDOTTSWSA-N -1 0 309.307 -0.678 20 0 DBADRM NC(=O)c1ccc(CC(=O)Nc2nc(C(=O)[O-])ns2)cn1 ZINC001608243020 1019132991 /nfs/dbraw/zinc/13/29/91/1019132991.db2.gz OMHKHIXPLGPSCI-UHFFFAOYSA-N -1 0 307.291 -0.089 20 0 DBADRM NC(=O)c1cncc(OS(=O)(=O)CC2(C(=O)[O-])CC2)c1 ZINC001608247191 1019133204 /nfs/dbraw/zinc/13/32/04/1019133204.db2.gz XUQPPYOOFMBTCP-UHFFFAOYSA-N -1 0 300.292 -0.246 20 0 DBADRM NC(=O)c1ccc(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)nc1 ZINC001608243235 1019133413 /nfs/dbraw/zinc/13/34/13/1019133413.db2.gz PJKNLOXVIGTYGB-VHSXEESVSA-N -1 0 307.306 -0.352 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001608245475 1019133450 /nfs/dbraw/zinc/13/34/50/1019133450.db2.gz PLGHWZUCYXTAOD-SFYZADRCSA-N -1 0 317.305 -0.189 20 0 DBADRM NC(=O)c1csc(CNS(=O)(=O)CCCC(=O)[O-])n1 ZINC001608246437 1019133807 /nfs/dbraw/zinc/13/38/07/1019133807.db2.gz YXRYNYQYJUSQSW-UHFFFAOYSA-N -1 0 307.353 -0.474 20 0 DBADRM NC(=O)c1csc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC001608246217 1019134090 /nfs/dbraw/zinc/13/40/90/1019134090.db2.gz XVNMIAKIXARHCE-SSDOTTSWSA-N -1 0 311.319 -0.738 20 0 DBADRM NC(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1 ZINC001608244568 1019134428 /nfs/dbraw/zinc/13/44/28/1019134428.db2.gz AOOMIAJNWGYJIC-LLVKDONJSA-N -1 0 319.317 -0.409 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@H](C(=O)[O-])c2cccnc2)S1 ZINC001608251110 1019138363 /nfs/dbraw/zinc/13/83/63/1019138363.db2.gz QNUXYDVIXSBJHG-APPZFPTMSA-N -1 0 308.319 -0.120 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])no2)C1 ZINC001608259053 1019140182 /nfs/dbraw/zinc/14/01/82/1019140182.db2.gz FCZQKMHISBFDPA-ZETCQYMHSA-N -1 0 317.323 -0.487 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)/C=C\c2cc(C(=O)[O-])co2)CC1 ZINC001608258147 1019140345 /nfs/dbraw/zinc/14/03/45/1019140345.db2.gz GAQFAZBAQOZWPA-UPHRSURJSA-N -1 0 314.319 -0.072 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001608259411 1019140877 /nfs/dbraw/zinc/14/08/77/1019140877.db2.gz KIVLQEUDQJPMQX-NSHDSACASA-N -1 0 308.356 -0.805 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1 ZINC001608259952 1019141102 /nfs/dbraw/zinc/14/11/02/1019141102.db2.gz WQHZZTPTPORGFH-WPRPVWTQSA-N -1 0 317.367 -0.520 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC001608259512 1019141634 /nfs/dbraw/zinc/14/16/34/1019141634.db2.gz NEUXJBLBDQNXIM-MRVPVSSYSA-N -1 0 313.335 -0.470 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])no2)C1 ZINC001608259052 1019141728 /nfs/dbraw/zinc/14/17/28/1019141728.db2.gz FCZQKMHISBFDPA-SSDOTTSWSA-N -1 0 317.323 -0.487 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)c1cncc(C(=O)[O-])c1 ZINC001608260819 1019141837 /nfs/dbraw/zinc/14/18/37/1019141837.db2.gz YLSCQORMWAXUJQ-UHFFFAOYSA-N -1 0 301.324 -0.422 20 0 DBADRM NS(=O)(=O)C1(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)CC1 ZINC001608258899 1019142012 /nfs/dbraw/zinc/14/20/12/1019142012.db2.gz TTWFLKTXSOJLLC-ZETCQYMHSA-N -1 0 308.381 -0.916 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)o1 ZINC001608263499 1019143424 /nfs/dbraw/zinc/14/34/24/1019143424.db2.gz SXMGAWNLSFLPGG-YUMQZZPRSA-N -1 0 304.324 -0.806 20 0 DBADRM NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CCCCC(=O)[O-] ZINC001608261143 1019143643 /nfs/dbraw/zinc/14/36/43/1019143643.db2.gz NZFSBXDJKKQPRQ-JTQLQIEISA-N -1 0 321.399 -0.194 20 0 DBADRM NS(=O)(=O)NC[C@H]1CCCCN1C(=O)CCCCC(=O)[O-] ZINC001608261144 1019144374 /nfs/dbraw/zinc/14/43/74/1019144374.db2.gz NZFSBXDJKKQPRQ-SNVBAGLBSA-N -1 0 321.399 -0.194 20 0 DBADRM Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608274321 1019147962 /nfs/dbraw/zinc/14/79/62/1019147962.db2.gz ZCTKWKQNCGHEIJ-JGVFFNPUSA-N -1 0 307.310 -0.866 20 0 DBADRM Nc1cc(Br)cc(C(=O)NC[C@H](O)C(=O)[O-])c1N ZINC001608272587 1019148631 /nfs/dbraw/zinc/14/86/31/1019148631.db2.gz RCSJUOBIEWZNCC-ZETCQYMHSA-N -1 0 318.127 -0.211 20 0 DBADRM Nc1c(-n2cccn2)ncnc1N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001608270538 1019148955 /nfs/dbraw/zinc/14/89/55/1019148955.db2.gz PHCMTMOUBKOXDP-RKDXNWHRSA-N -1 0 304.310 -0.484 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC001608280006 1019151206 /nfs/dbraw/zinc/15/12/06/1019151206.db2.gz PHAYLCKXRMUZFW-DTORHVGOSA-N -1 0 302.294 -0.332 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)CC2CCCC2)C1 ZINC001608294569 1019151987 /nfs/dbraw/zinc/15/19/87/1019151987.db2.gz WJBASCSNQXQIKL-NEPJUHHUSA-N -1 0 324.377 -0.023 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)OCC(=O)C1(C(=O)[O-])CC1 ZINC001608277936 1019152352 /nfs/dbraw/zinc/15/23/52/1019152352.db2.gz RWIPIDQBXKAXJP-UHFFFAOYSA-N -1 0 319.277 -0.614 20 0 DBADRM Nc1nnn(CC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)n1 ZINC001608279288 1019152515 /nfs/dbraw/zinc/15/25/15/1019152515.db2.gz BJUAJUMHPPFEGQ-VIFPVBQESA-N -1 0 312.236 -0.524 20 0 DBADRM Nc1nnn(CC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n1 ZINC001608279664 1019152661 /nfs/dbraw/zinc/15/26/61/1019152661.db2.gz JKQYLCCURUMCCX-GHMZBOCLSA-N -1 0 316.321 -0.418 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)NC2(C(=O)[O-])CCC2)c1 ZINC001608279259 1019152690 /nfs/dbraw/zinc/15/26/90/1019152690.db2.gz BEFUPLPDMOGWBY-UHFFFAOYSA-N -1 0 302.294 -0.188 20 0 DBADRM O=C(/C=C\[C@@H]1CCOC1)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001608282506 1019153035 /nfs/dbraw/zinc/15/30/35/1019153035.db2.gz XJKCZPCXKMBPRA-JWXWKVPASA-N -1 0 317.363 -0.273 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H](NC(=O)C=C3CCC3)[C@@H](O)C2)nc1 ZINC001608283079 1019153131 /nfs/dbraw/zinc/15/31/31/1019153131.db2.gz LMBDMKZWJWFNBR-NEPJUHHUSA-N -1 0 318.333 -0.049 20 0 DBADRM Nc1ncn(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])n1 ZINC001608278185 1019153180 /nfs/dbraw/zinc/15/31/80/1019153180.db2.gz VOEFOYNTHRMHSP-NSHDSACASA-N -1 0 301.306 -0.102 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)CCCNC(=O)C2CC2)nn1 ZINC001608304775 1019154638 /nfs/dbraw/zinc/15/46/38/1019154638.db2.gz YHWPBXIUEGTUGA-UHFFFAOYSA-N -1 0 309.326 -0.601 20 0 DBADRM O=C(CC[C@@H]1NC(=O)NC1=O)NC1(C(=O)[O-])CCSCC1 ZINC001608303989 1019154805 /nfs/dbraw/zinc/15/48/05/1019154805.db2.gz XYOOTPWISWUHCE-ZETCQYMHSA-N -1 0 315.351 -0.559 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001608308940 1019155281 /nfs/dbraw/zinc/15/52/81/1019155281.db2.gz FPTJSXJFVJGLPB-MWLCHTKSSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H](C(=O)[O-])c1cccnc1 ZINC001608303391 1019155579 /nfs/dbraw/zinc/15/55/79/1019155579.db2.gz BYWZVICZAXGLNZ-WCBMZHEXSA-N -1 0 306.278 -0.688 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001608323922 1019159671 /nfs/dbraw/zinc/15/96/71/1019159671.db2.gz BFEZHLGFCWRNHV-LBPRGKRZSA-N -1 0 313.335 -0.997 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001608309520 1019159844 /nfs/dbraw/zinc/15/98/44/1019159844.db2.gz RJVJDAOATCZZHP-BBBLOLIVSA-N -1 0 312.322 -0.887 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001608323921 1019160249 /nfs/dbraw/zinc/16/02/49/1019160249.db2.gz BFEZHLGFCWRNHV-GFCCVEGCSA-N -1 0 313.335 -0.997 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)CCn1cnccc1=O ZINC001608325252 1019160401 /nfs/dbraw/zinc/16/04/01/1019160401.db2.gz PSVZMCRLNXKFBN-QWRGUYRKSA-N -1 0 309.322 -0.228 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC001608329933 1019161145 /nfs/dbraw/zinc/16/11/45/1019161145.db2.gz JQLOQXYSYMCLEQ-SDDRHHMPSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001608327294 1019161321 /nfs/dbraw/zinc/16/13/21/1019161321.db2.gz FWTPGVKKZPLIRU-OCAPTIKFSA-N -1 0 318.289 -0.002 20 0 DBADRM O=C(CN1C(=O)CCC1=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC001608325905 1019162602 /nfs/dbraw/zinc/16/26/02/1019162602.db2.gz CJQFEGPQAQNTPI-SNVBAGLBSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2ncccc2CO)C1=O ZINC001608332895 1019163366 /nfs/dbraw/zinc/16/33/66/1019163366.db2.gz ORULKTCQEHQAFU-SNVBAGLBSA-N -1 0 307.306 -0.164 20 0 DBADRM O=C([O-])c1ccc(OCCNC(=O)CN2CCNCC2=O)cc1 ZINC001608334043 1019163704 /nfs/dbraw/zinc/16/37/04/1019163704.db2.gz VTNSEVDLGGEHQE-UHFFFAOYSA-N -1 0 321.333 -0.688 20 0 DBADRM O=C(C[N@H+]1CCSC[C@H](C(=O)[O-])C1)NC(=O)NC1CC1 ZINC001608335955 1019164496 /nfs/dbraw/zinc/16/44/96/1019164496.db2.gz KOXOFRNXMJHTJG-MRVPVSSYSA-N -1 0 301.368 -0.276 20 0 DBADRM O=C(CN1CCOCC1)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001608334084 1019164661 /nfs/dbraw/zinc/16/46/61/1019164661.db2.gz WUWLLSYAQGTCNG-VXGBXAGGSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C([O-])c1cnc(NCCCNC(=O)CN2CCCC2=O)nc1 ZINC001608331389 1019164794 /nfs/dbraw/zinc/16/47/94/1019164794.db2.gz PLIYSYJPGPVJMC-UHFFFAOYSA-N -1 0 321.337 -0.285 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1CC(=O)NCC(=O)N1CCCC1 ZINC001608336951 1019164863 /nfs/dbraw/zinc/16/48/63/1019164863.db2.gz ZCZFLDBQKALDKA-UWVGGRQHSA-N -1 0 301.318 -0.778 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001608331405 1019164974 /nfs/dbraw/zinc/16/49/74/1019164974.db2.gz PYHVPYPCIPOSAN-ZJUUUORDSA-N -1 0 316.379 -0.076 20 0 DBADRM O=C([O-])[C@@]1(NCC(=O)N2CCO[C@H]3CCCC[C@@H]32)CCOC1 ZINC001608339210 1019165696 /nfs/dbraw/zinc/16/56/96/1019165696.db2.gz NPJSKWHXOTUMMH-SLEUVZQESA-N -1 0 312.366 -0.010 20 0 DBADRM O=C(COCC(F)F)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608347959 1019165775 /nfs/dbraw/zinc/16/57/75/1019165775.db2.gz UMQLZQWEZSYPBT-SFYZADRCSA-N -1 0 320.292 -0.246 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)CNS(=O)(=O)c1ccccc1 ZINC001608339980 1019166117 /nfs/dbraw/zinc/16/61/17/1019166117.db2.gz QQNJGWWUCFMWDB-MNOVXSKESA-N -1 0 312.347 -0.056 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001608352421 1019166503 /nfs/dbraw/zinc/16/65/03/1019166503.db2.gz AVYBODJLXHYVCR-VIFPVBQESA-N -1 0 321.351 -0.714 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCC(=O)N2CCOCC2)CCC1 ZINC001608343626 1019166542 /nfs/dbraw/zinc/16/65/42/1019166542.db2.gz ZZYPMSCXXOVKLB-UHFFFAOYSA-N -1 0 320.367 -0.981 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N[C@@H](CO)C(F)(F)F ZINC001608349638 1019166667 /nfs/dbraw/zinc/16/66/67/1019166667.db2.gz OOWUVNLAHKERTA-LURJTMIESA-N -1 0 312.200 -0.071 20 0 DBADRM O=C([O-])c1cn(CC(=O)OCC(=O)Nc2ccc(O)cc2)nn1 ZINC001608344931 1019166823 /nfs/dbraw/zinc/16/68/23/1019166823.db2.gz WTNZLSDLSPTMAY-UHFFFAOYSA-N -1 0 320.261 -0.136 20 0 DBADRM O=C(CNC(=O)Cc1cccc(F)c1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001608365575 1019168951 /nfs/dbraw/zinc/16/89/51/1019168951.db2.gz XXTUMEQKSFYIDS-WGRBQBNCSA-N -1 0 324.308 -0.421 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)Cc2c[nH]cn2)CC1 ZINC001608369830 1019169136 /nfs/dbraw/zinc/16/91/36/1019169136.db2.gz IBINLMZORWCIEL-UWVGGRQHSA-N -1 0 306.322 -0.562 20 0 DBADRM O=C([O-])[C@H](CCF)NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC001608354586 1019169851 /nfs/dbraw/zinc/16/98/51/1019169851.db2.gz QIOOAAYVUTZVSH-YUMQZZPRSA-N -1 0 313.372 -0.164 20 0 DBADRM O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001608356060 1019169893 /nfs/dbraw/zinc/16/98/93/1019169893.db2.gz BRRNZTGORFLNHU-ZJUUUORDSA-N -1 0 305.290 -0.431 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NC[C@]2(OCCO)CCOC2)cn1 ZINC001608362777 1019170769 /nfs/dbraw/zinc/17/07/69/1019170769.db2.gz QXLKHQLKOXXIKI-OAHLLOKOSA-N -1 0 324.333 -0.394 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NCCCn2cc(CO)nn2)cn1 ZINC001608361208 1019170871 /nfs/dbraw/zinc/17/08/71/1019170871.db2.gz DEBZBHYQXUSMHG-UHFFFAOYSA-N -1 0 319.321 -0.387 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 ZINC001608373829 1019172362 /nfs/dbraw/zinc/17/23/62/1019172362.db2.gz QXUSPNDKWMHORZ-QMMMGPOBSA-N -1 0 309.253 -0.359 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001608371606 1019172889 /nfs/dbraw/zinc/17/28/89/1019172889.db2.gz OHWPBIGDCIKAQT-RGOKHQFPSA-N -1 0 306.322 -0.564 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NC[C@H]2CCCS2(=O)=O)c1 ZINC001608374903 1019173607 /nfs/dbraw/zinc/17/36/07/1019173607.db2.gz HZSRQUOCKLHAMN-SECBINFHSA-N -1 0 301.324 -0.725 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCC2N=NC(=O)N2C2CC2)n1 ZINC001608378343 1019174631 /nfs/dbraw/zinc/17/46/31/1019174631.db2.gz ZYNLKSDJPNZIQP-UHFFFAOYSA-N -1 0 306.282 -0.470 20 0 DBADRM O=C([O-])c1cn(CC(=O)OCCN2C[C@H]3CC[C@@H](C2)O3)nn1 ZINC001608377018 1019175230 /nfs/dbraw/zinc/17/52/30/1019175230.db2.gz HJEXZGDPXCRSJM-AOOOYVTPSA-N -1 0 310.310 -0.617 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCCCN2C(=O)CCC2=O)n1 ZINC001608378038 1019175267 /nfs/dbraw/zinc/17/52/67/1019175267.db2.gz OOOCRBIAHQSJJI-UHFFFAOYSA-N -1 0 308.294 -0.763 20 0 DBADRM O=C([O-])[C@H](CCF)NC(=O)Cn1nnc2ccccc2c1=O ZINC001608383624 1019176872 /nfs/dbraw/zinc/17/68/72/1019176872.db2.gz PDYGCDPDBJATAD-JTQLQIEISA-N -1 0 308.269 -0.280 20 0 DBADRM O=C([O-])C1(NC(=O)c2ccc(-n3cnnn3)cc2)CC(CO)C1 ZINC001608403448 1019178546 /nfs/dbraw/zinc/17/85/46/1019178546.db2.gz CQCDDBZYTJDCFZ-UHFFFAOYSA-N -1 0 317.305 -0.382 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2ccc(-n3cnnn3)cn2)CCSC1 ZINC001608405597 1019179023 /nfs/dbraw/zinc/17/90/23/1019179023.db2.gz FJUQOTWYPAEIHG-GFCCVEGCSA-N -1 0 320.334 -0.253 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)c1ccnc(CO)c1 ZINC001608397741 1019179224 /nfs/dbraw/zinc/17/92/24/1019179224.db2.gz TUTIXWBAJWFOIL-NSHDSACASA-N -1 0 310.306 -0.090 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001608397306 1019179244 /nfs/dbraw/zinc/17/92/44/1019179244.db2.gz TYDWPWMWUFUPSW-NXEZZACHSA-N -1 0 309.322 -0.222 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001608404114 1019180007 /nfs/dbraw/zinc/18/00/07/1019180007.db2.gz XCGREICDDILPAB-ZJUUUORDSA-N -1 0 304.310 -0.693 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001608403326 1019180450 /nfs/dbraw/zinc/18/04/50/1019180450.db2.gz OSPOFQVHVIEEOE-GZMMTYOYSA-N -1 0 304.310 -0.624 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2ccc(F)cn2)C1 ZINC001608414059 1019181255 /nfs/dbraw/zinc/18/12/55/1019181255.db2.gz PGGAJYJNONHYRO-ZJUUUORDSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C(=O)NC3CCCC3)C[C@H]1COCC2 ZINC001608410777 1019181350 /nfs/dbraw/zinc/18/13/50/1019181350.db2.gz WVWZLYOWGXADQV-ZUZCIYMTSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NC2CCN(c3cccnn3)CC2)C1 ZINC001608412622 1019181731 /nfs/dbraw/zinc/18/17/31/1019181731.db2.gz IDXYGULJBABCCT-UHFFFAOYSA-N -1 0 321.337 -0.714 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)C2=COCCO2)CC1 ZINC001608409595 1019181816 /nfs/dbraw/zinc/18/18/16/1019181816.db2.gz DLCYGOWNNBVPDE-WDEREUQCSA-N -1 0 324.333 -0.298 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCC(=O)N1CCCCC1 ZINC001608414616 1019182545 /nfs/dbraw/zinc/18/25/45/1019182545.db2.gz KTCGDVFJKYMJQN-ZYHUDNBSSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)N[C@@H]2CC=CCC2)CC1 ZINC001608408699 1019182586 /nfs/dbraw/zinc/18/25/86/1019182586.db2.gz JMTOTUDOJQNKBX-NEPJUHHUSA-N -1 0 310.350 -0.105 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2cnccn2)CC1 ZINC001608409425 1019182628 /nfs/dbraw/zinc/18/26/28/1019182628.db2.gz AWGZKZKUBFTFRM-WDEREUQCSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)S3)C1 ZINC001608407585 1019183068 /nfs/dbraw/zinc/18/30/68/1019183068.db2.gz KSZDOCQDSOXWNW-CBLAIPOGSA-N -1 0 314.363 -0.813 20 0 DBADRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)CNC(=O)c1ncccc1O ZINC001608414739 1019183272 /nfs/dbraw/zinc/18/32/72/1019183272.db2.gz SUKCCXJJFQWUJK-PSLIRLAXSA-N -1 0 319.317 -0.017 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)CNC(=O)c1cccc(O)c1 ZINC001608414336 1019183438 /nfs/dbraw/zinc/18/34/38/1019183438.db2.gz AMMQPOKVVZXKLC-DGCLKSJQSA-N -1 0 322.317 -0.442 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)CNC(=O)c1cccs1 ZINC001608414405 1019183463 /nfs/dbraw/zinc/18/34/63/1019183463.db2.gz GBEQEVLUICCWDP-LDYMZIIASA-N -1 0 312.347 -0.086 20 0 DBADRM O=C([O-])C1(CNC(=O)c2cccn3nnnc23)CCOCC1 ZINC001608427869 1019184352 /nfs/dbraw/zinc/18/43/52/1019184352.db2.gz LGIPTZROZQMUJT-UHFFFAOYSA-N -1 0 305.294 -0.265 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)c1ccn2nnnc2c1)[C@H]1CCOC1 ZINC001608416663 1019184484 /nfs/dbraw/zinc/18/44/84/1019184484.db2.gz FPFSBTGJSPNBEX-UWVGGRQHSA-N -1 0 305.294 -0.409 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2ccncn2)CC1 ZINC001608430562 1019184502 /nfs/dbraw/zinc/18/45/02/1019184502.db2.gz NZBUOYLQFPTEPT-DTWKUNHWSA-N -1 0 304.306 -0.424 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CCCS(=O)(=O)C1)[C@H]1CCOC1 ZINC001608415285 1019184731 /nfs/dbraw/zinc/18/47/31/1019184731.db2.gz FNSKZRPCMQHYIS-DCAQKATOSA-N -1 0 319.379 -0.335 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)c2cscn2)n1 ZINC001608425578 1019185264 /nfs/dbraw/zinc/18/52/64/1019185264.db2.gz ZYMPJCIUQCZEKU-ZETCQYMHSA-N -1 0 323.334 -0.744 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCC23CCC(CC2)C3)C1 ZINC001608429103 1019185416 /nfs/dbraw/zinc/18/54/16/1019185416.db2.gz NJTRFRQPEKZLLY-YZUGKSJVSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)C2=CCOCC2)nc1 ZINC001608422320 1019186124 /nfs/dbraw/zinc/18/61/24/1019186124.db2.gz WMDDLCRJIZULGU-LLVKDONJSA-N -1 0 322.321 -0.590 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccc[nH]2)C1 ZINC001608429822 1019186243 /nfs/dbraw/zinc/18/62/43/1019186243.db2.gz FXKRTUFWQVVLRI-DTWKUNHWSA-N -1 0 307.306 -0.962 20 0 DBADRM O=C([O-])c1nccc(NCC=CCNC(=O)c2cnon2)n1 ZINC001608436482 1019187214 /nfs/dbraw/zinc/18/72/14/1019187214.db2.gz IDONCUZXMCPBQZ-OWOJBTEDSA-N -1 0 304.266 -0.622 20 0 DBADRM O=C([O-])c1nccc(NC2CC(CNC(=O)c3cnon3)C2)n1 ZINC001608432351 1019187256 /nfs/dbraw/zinc/18/72/56/1019187256.db2.gz KWVJXFGAQBFJGV-UHFFFAOYSA-N -1 0 318.293 -0.400 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CCCS1(=O)=O ZINC001608434114 1019187286 /nfs/dbraw/zinc/18/72/86/1019187286.db2.gz IDKQYVFKJIZIEB-OPRDCNLKSA-N -1 0 320.367 -0.648 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC=C(CNC(=O)c2nnc[nH]2)CC1 ZINC001608432379 1019187600 /nfs/dbraw/zinc/18/76/00/1019187600.db2.gz LGDAEQBROZSAIY-VHSXEESVSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NCC[C@]1(O)CCOC1 ZINC001608438481 1019189458 /nfs/dbraw/zinc/18/94/58/1019189458.db2.gz JMWKXVCKCNYNOF-HNNXBMFYSA-N -1 0 322.317 -0.019 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)NCCN1C(=O)CNC1=O)C2 ZINC001608445352 1019190409 /nfs/dbraw/zinc/19/04/09/1019190409.db2.gz JXRBFWYAKWQWLL-XPTSAGLGSA-N -1 0 324.337 -0.566 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@@H](CO)CC(F)F)nn1 ZINC001608455729 1019190588 /nfs/dbraw/zinc/19/05/88/1019190588.db2.gz HAMHZALNXGZRLE-ZCFIWIBFSA-N -1 0 307.257 -0.708 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2csnn2)C1 ZINC001608439918 1019190802 /nfs/dbraw/zinc/19/08/02/1019190802.db2.gz ZLBZGXWWVKVUJR-SFYZADRCSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@H](CO)CC(F)F)nn1 ZINC001608455628 1019191151 /nfs/dbraw/zinc/19/11/51/1019191151.db2.gz HAMHZALNXGZRLE-LURJTMIESA-N -1 0 307.257 -0.708 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001608449909 1019191244 /nfs/dbraw/zinc/19/12/44/1019191244.db2.gz HKWQRHKCCZGCIG-RYUDHWBXSA-N -1 0 300.355 -0.418 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCOC[C@@H]1CC1CC1 ZINC001608460213 1019192365 /nfs/dbraw/zinc/19/23/65/1019192365.db2.gz CBNZHLILDRNUDL-GRYCIOLGSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1cc(=O)[nH]cc1Br ZINC001608459785 1019192516 /nfs/dbraw/zinc/19/25/16/1019192516.db2.gz SIHXLVOEZAINRZ-LURJTMIESA-N -1 0 305.084 -0.275 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCC[C@H]1[C@H]1CCCOC1 ZINC001608457243 1019192631 /nfs/dbraw/zinc/19/26/31/1019192631.db2.gz INTVSVSIAOQYEN-DCAQKATOSA-N -1 0 316.329 -0.057 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CC[C@H]([C@H]2CCCO2)C1 ZINC001608456746 1019192695 /nfs/dbraw/zinc/19/26/95/1019192695.db2.gz ATENGJNSPSSJHM-LPEHRKFASA-N -1 0 302.302 -0.447 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1cc(N2CCNC2=O)ccc1F ZINC001608459571 1019192735 /nfs/dbraw/zinc/19/27/35/1019192735.db2.gz HKUHKWIUJDVOFW-JTQLQIEISA-N -1 0 311.269 -0.469 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC001608459594 1019193118 /nfs/dbraw/zinc/19/31/18/1019193118.db2.gz IKKVKSGPRNTSFX-QMMMGPOBSA-N -1 0 323.273 -0.142 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NC[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001608457807 1019193177 /nfs/dbraw/zinc/19/31/77/1019193177.db2.gz SUDUTCMCWAXYSN-RYUDHWBXSA-N -1 0 318.329 -0.436 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCOC2(CCCC2)C1 ZINC001608461565 1019194194 /nfs/dbraw/zinc/19/41/94/1019194194.db2.gz YVMVRFODWFJILJ-GHMZBOCLSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)N1C[C@H](CO)[C@H](CCO)C1)C2 ZINC001608492067 1019195828 /nfs/dbraw/zinc/19/58/28/1019195828.db2.gz UAVXZVFLBJMTRB-CYRTVHNOSA-N -1 0 312.366 -0.128 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001608488487 1019195941 /nfs/dbraw/zinc/19/59/41/1019195941.db2.gz QVRMQOVUQYGGJV-OVYXKVPISA-N -1 0 308.294 -0.879 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1cn(C2CCOCC2)nn1 ZINC001608488746 1019196334 /nfs/dbraw/zinc/19/63/34/1019196334.db2.gz CNLBULQYLCVYPN-GXSJLCMTSA-N -1 0 310.310 -0.399 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC001608488734 1019196929 /nfs/dbraw/zinc/19/69/29/1019196929.db2.gz BFKDAUOZSBFKAH-WCBMZHEXSA-N -1 0 319.273 -0.812 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1 ZINC001608491050 1019196944 /nfs/dbraw/zinc/19/69/44/1019196944.db2.gz PBWNZEVFEYMRRX-ZNSHCXBVSA-N -1 0 316.379 -0.074 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2cnns2)C1 ZINC001608491535 1019197259 /nfs/dbraw/zinc/19/72/59/1019197259.db2.gz LFJCQCYNLVARSQ-CWKFCGSDSA-N -1 0 310.335 -0.364 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccncn2)C1 ZINC001608491477 1019197301 /nfs/dbraw/zinc/19/73/01/1019197301.db2.gz IPGLGMDHWIVELR-UTINFBMNSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)N1CCOC[C@@H]1C1CC1)C2 ZINC001608491971 1019197661 /nfs/dbraw/zinc/19/76/61/1019197661.db2.gz QDZRZEGJKXDITN-JBBSTSQOSA-N -1 0 322.361 -0.007 20 0 DBADRM O=C([O-])[C@H](CCF)NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001608533843 1019199600 /nfs/dbraw/zinc/19/96/00/1019199600.db2.gz CRFHQZQECINUIO-ATVNZZIWSA-N -1 0 301.270 -0.364 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)[C@H]1CCCNC1=O ZINC001608537008 1019201041 /nfs/dbraw/zinc/20/10/41/1019201041.db2.gz SHYGCDVPPGXEER-IUCAKERBSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)N1CCS(=O)(=O)CC1 ZINC001608531945 1019201274 /nfs/dbraw/zinc/20/12/74/1019201274.db2.gz OKLRXWWMIZKCDP-ZJUUUORDSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)[C@@H](O)Cc1ccccc1 ZINC001608534508 1019201314 /nfs/dbraw/zinc/20/13/14/1019201314.db2.gz DVYAFORUPFKVHF-RYUDHWBXSA-N -1 0 309.318 -0.078 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)C(=O)Nc3cnn(CCF)c3)C[C@@H]21 ZINC001608524668 1019202518 /nfs/dbraw/zinc/20/25/18/1019202518.db2.gz PUZVFLQBIIQZAN-MYJAWHEDSA-N -1 0 310.285 -0.420 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)CS(=O)(=O)C2CC2)CC1 ZINC001608555609 1019204590 /nfs/dbraw/zinc/20/45/90/1019204590.db2.gz XCIZKJLXXBTPJW-LLVKDONJSA-N -1 0 305.352 -0.752 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC001608590277 1019211053 /nfs/dbraw/zinc/21/10/53/1019211053.db2.gz UHRIVMGDQUCBMY-AWEZNQCLSA-N -1 0 323.305 -0.643 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001608590534 1019211392 /nfs/dbraw/zinc/21/13/92/1019211392.db2.gz DGGCFOMRPWKRAB-PRHODGIISA-N -1 0 316.335 -0.747 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001608594136 1019212105 /nfs/dbraw/zinc/21/21/05/1019212105.db2.gz AYQKMORKAXLBMX-KKZNHRDASA-N -1 0 303.336 -0.629 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)CSc1cccc[n+]1[O-] ZINC001608594544 1019212260 /nfs/dbraw/zinc/21/22/60/1019212260.db2.gz FCVCHFLNLOJMGQ-SKDRFNHKSA-N -1 0 312.347 -0.151 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)CN1CCN(C2CC2)C1=O ZINC001608594518 1019212382 /nfs/dbraw/zinc/21/23/82/1019212382.db2.gz DPWZOKJQFSFYGD-JQWIXIFHSA-N -1 0 311.338 -0.677 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(C(=O)CCCc1nnn[n-]1)CC2 ZINC001608588369 1019213030 /nfs/dbraw/zinc/21/30/30/1019213030.db2.gz FFXDPRBFTNPQGX-UHFFFAOYSA-N -1 0 322.325 -0.256 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1cncc(-n2ccnn2)c1 ZINC001608594395 1019213399 /nfs/dbraw/zinc/21/33/99/1019213399.db2.gz FWVGKHRBMDQMOI-NWDGAFQWSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(S(=O)(=O)CC2CCOCC2)C1 ZINC001608602138 1019214675 /nfs/dbraw/zinc/21/46/75/1019214675.db2.gz QAYYIISUODSMFO-GHMZBOCLSA-N -1 0 307.368 -0.490 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)CN2Cc3ccccc3C2=O)C1 ZINC001608600987 1019215860 /nfs/dbraw/zinc/21/58/60/1019215860.db2.gz IFEJOQXNCVVDNO-VXGBXAGGSA-N -1 0 318.329 -0.064 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)CN2Cc3ccccc3C2=O)C1 ZINC001608600985 1019216051 /nfs/dbraw/zinc/21/60/51/1019216051.db2.gz IFEJOQXNCVVDNO-RYUDHWBXSA-N -1 0 318.329 -0.064 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001608597342 1019216106 /nfs/dbraw/zinc/21/61/06/1019216106.db2.gz XCVATCFJMFBNNK-ZYHUDNBSSA-N -1 0 309.322 -0.335 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCCC3(CC3)C2)C1 ZINC001608601923 1019216310 /nfs/dbraw/zinc/21/63/10/1019216310.db2.gz NKKAEFLSWXBJSH-WDEREUQCSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001608609567 1019218085 /nfs/dbraw/zinc/21/80/85/1019218085.db2.gz CDBCSIRJWSHXRB-BGZDPUMWSA-N -1 0 309.326 -0.785 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCCC(F)(F)C2)C1 ZINC001608603152 1019218346 /nfs/dbraw/zinc/21/83/46/1019218346.db2.gz VXRJRLKZBKJVOT-RKDXNWHRSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)Cn2cccn2)CC1 ZINC001608609413 1019218785 /nfs/dbraw/zinc/21/87/85/1019218785.db2.gz ABQWKCQNAOWCMD-QWRGUYRKSA-N -1 0 306.322 -0.725 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC[C@@H]2C2CC2)C1 ZINC001608603392 1019219196 /nfs/dbraw/zinc/21/91/96/1019219196.db2.gz WXTVRPAJYZHCHK-GRYCIOLGSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCCOC[C@H]2CCOC2)C1 ZINC001608606978 1019219231 /nfs/dbraw/zinc/21/92/31/1019219231.db2.gz VZFHDFLUSNXGPR-QJPTWQEYSA-N -1 0 316.354 -0.484 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(c2cc(N3CCOCC3)ncn2)C1 ZINC001608608135 1019219459 /nfs/dbraw/zinc/21/94/59/1019219459.db2.gz TZOSSKHSXAFRNS-QWRGUYRKSA-N -1 0 308.338 -0.415 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)Cn2ccnc2)CC1 ZINC001608609481 1019220047 /nfs/dbraw/zinc/22/00/47/1019220047.db2.gz AUXVXHIAORZUFI-QWRGUYRKSA-N -1 0 306.322 -0.725 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC001608605812 1019220157 /nfs/dbraw/zinc/22/01/57/1019220157.db2.gz REOLETRUCYSZJS-ZIQFBCGOSA-N -1 0 314.338 -0.733 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ncccn3)C[C@H]21 ZINC001608610188 1019220707 /nfs/dbraw/zinc/22/07/07/1019220707.db2.gz IHIHXNHVAMSFTR-YFVNTRNASA-N -1 0 302.334 -0.256 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)Cc2cnc[nH]2)C1 ZINC001608610965 1019221463 /nfs/dbraw/zinc/22/14/63/1019221463.db2.gz MASDVIFYQZXOKD-WDEREUQCSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001608610023 1019221537 /nfs/dbraw/zinc/22/15/37/1019221537.db2.gz FVAAYFHZJKNDGE-GHMZBOCLSA-N -1 0 320.349 -0.266 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2C1 ZINC001608610510 1019221708 /nfs/dbraw/zinc/22/17/08/1019221708.db2.gz JCEMIZISZGRSNQ-UTINFBMNSA-N -1 0 320.305 -0.679 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnns3)C[C@H]21 ZINC001608609973 1019221882 /nfs/dbraw/zinc/22/18/82/1019221882.db2.gz GNPSRIKGXHZXMR-RZWYQDGFSA-N -1 0 322.346 -0.555 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2ccco2)C1 ZINC001608610700 1019222060 /nfs/dbraw/zinc/22/20/60/1019222060.db2.gz KSMOOTSSFYEQIM-MNOVXSKESA-N -1 0 322.317 -0.768 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)C1=CCCC1 ZINC001608609992 1019222333 /nfs/dbraw/zinc/22/23/33/1019222333.db2.gz GSIGOPHYWRMQGL-NWDGAFQWSA-N -1 0 310.350 -0.246 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC/C=C/CNc1ccc2nnnn2n1 ZINC001608610179 1019222464 /nfs/dbraw/zinc/22/24/64/1019222464.db2.gz IAACQIAKLNXYHX-WMPCIOANSA-N -1 0 317.309 -0.676 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)c1ccccn1 ZINC001608610989 1019223171 /nfs/dbraw/zinc/22/31/71/1019223171.db2.gz OQNMTFCGJOVBMF-WDEREUQCSA-N -1 0 321.333 -0.647 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)c2cn[nH]c2)CC1 ZINC001608611688 1019224143 /nfs/dbraw/zinc/22/41/43/1019224143.db2.gz QSCJIPFBNXVZGF-MNOVXSKESA-N -1 0 306.322 -0.195 20 0 DBADRM O=C([O-])C1CC2(C1)CN(C(=O)[C@]1(F)CC[NH2+]C1)C[C@H]2C(=O)[O-] ZINC001608611842 1019224681 /nfs/dbraw/zinc/22/46/81/1019224681.db2.gz VKYXSJZVBDFATN-INYJNSEUSA-N -1 0 314.313 -0.288 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ncccn3)C[C@H]21 ZINC001608611715 1019224724 /nfs/dbraw/zinc/22/47/24/1019224724.db2.gz URMTWSUGVMVCST-APLZJWDSSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)CCc2nnc[nH]2)C1 ZINC001608611416 1019224738 /nfs/dbraw/zinc/22/47/38/1019224738.db2.gz PNVCTFORVOIVBY-ZJUUUORDSA-N -1 0 321.337 -0.967 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnon1 ZINC001608611304 1019224957 /nfs/dbraw/zinc/22/49/57/1019224957.db2.gz ONNIKRHBHSGHSV-RGOKHQFPSA-N -1 0 320.305 -0.394 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2ncccn2)CC1 ZINC001608611381 1019225543 /nfs/dbraw/zinc/22/55/43/1019225543.db2.gz PDKINWGHFVGJPV-QWRGUYRKSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001608612714 1019227483 /nfs/dbraw/zinc/22/74/83/1019227483.db2.gz ZGRAMJUYKALSJN-ZJUUUORDSA-N -1 0 318.333 -0.052 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2cnccn2)C1 ZINC001608612163 1019228689 /nfs/dbraw/zinc/22/86/89/1019228689.db2.gz SWMNSDPJTOQCAB-ZJUUUORDSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])C1CC2(C1)C[C@@H](NS(=O)(=O)N1CCC1)CCO2 ZINC001608614800 1019229081 /nfs/dbraw/zinc/22/90/81/1019229081.db2.gz QWDUVMFJSRVQRP-YZRBJQDESA-N -1 0 304.368 -0.061 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCC1 ZINC001608612543 1019229454 /nfs/dbraw/zinc/22/94/54/1019229454.db2.gz XGNGHDPUKHQLAL-JCIQBVFBSA-N -1 0 322.361 -0.245 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H]2C(=O)N(CCNC(=O)C3CC3)C(=O)N2C1 ZINC001608621012 1019229675 /nfs/dbraw/zinc/22/96/75/1019229675.db2.gz XKXLCQFWBVTXRE-VHSXEESVSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC001608630752 1019230970 /nfs/dbraw/zinc/23/09/70/1019230970.db2.gz ZKPQPQKESMMBAW-HQJQHLMTSA-N -1 0 324.255 -0.555 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCC3(COC3)C2)CC1 ZINC001608634886 1019231500 /nfs/dbraw/zinc/23/15/00/1019231500.db2.gz ONSWMTWAOOIZED-UHFFFAOYSA-N -1 0 304.368 -0.250 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H](CO)[C@@H]1CCOC1 ZINC001608626814 1019232140 /nfs/dbraw/zinc/23/21/40/1019232140.db2.gz NGGBTTGJYJPUIZ-WYUUTHIRSA-N -1 0 321.395 -0.053 20 0 DBADRM O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CCCN1CCOCC1 ZINC001608624819 1019232197 /nfs/dbraw/zinc/23/21/97/1019232197.db2.gz MQRDCQPNVWYUNE-NWDGAFQWSA-N -1 0 320.411 -0.119 20 0 DBADRM O=C([O-])[C@@H]1CCN1C(=O)CN1CCN(c2ccccn2)CC1 ZINC001608638681 1019233388 /nfs/dbraw/zinc/23/33/88/1019233388.db2.gz DZKKPGZXNMFQQD-LBPRGKRZSA-N -1 0 304.350 -0.111 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N([C@H]3CC(=O)N(C4CC4)C3)C(=O)[C@@H]2C1 ZINC001608640748 1019233826 /nfs/dbraw/zinc/23/38/26/1019233826.db2.gz ZDJCCEMLERSFFW-MIMYLULJSA-N -1 0 321.333 -0.123 20 0 DBADRM O=C([O-])[C@H]1CCN2C(=O)N(CCCn3cncn3)C(=O)[C@H]2C1 ZINC001608639878 1019234189 /nfs/dbraw/zinc/23/41/89/1019234189.db2.gz IDMDMRHBHCJUHU-VHSXEESVSA-N -1 0 307.310 -0.204 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCCSC1 ZINC001608647762 1019236288 /nfs/dbraw/zinc/23/62/88/1019236288.db2.gz WAAOJBQSVJBLMI-BDAKNGLRSA-N -1 0 307.393 -0.160 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)CSCC(=O)N1CCCCC1 ZINC001608675497 1019237054 /nfs/dbraw/zinc/23/70/54/1019237054.db2.gz HBZDFQYRHSFCKU-JTQLQIEISA-N -1 0 318.395 -0.316 20 0 DBADRM O=C([O-])CC(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC001608664414 1019237197 /nfs/dbraw/zinc/23/71/97/1019237197.db2.gz SYIQSMRMEDIKFN-UHFFFAOYSA-N -1 0 303.278 -0.203 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)NCCN1CCNC(=O)C1)C1CC1 ZINC001608667208 1019237325 /nfs/dbraw/zinc/23/73/25/1019237325.db2.gz YXTKTQYTCDYGJX-LLVKDONJSA-N -1 0 312.370 -0.782 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)CN1C(=O)CNC1=O)c1ccncc1 ZINC001608670361 1019237594 /nfs/dbraw/zinc/23/75/94/1019237594.db2.gz BIEUFDURJFYHGQ-SECBINFHSA-N -1 0 306.278 -0.735 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)C(=O)NCCc1cnccn1)C1CC1 ZINC001608664600 1019237746 /nfs/dbraw/zinc/23/77/46/1019237746.db2.gz DDROROAOULETKI-LLVKDONJSA-N -1 0 320.349 -0.248 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC001608675014 1019238037 /nfs/dbraw/zinc/23/80/37/1019238037.db2.gz AVDVGVKTEBOSHD-GZMMTYOYSA-N -1 0 308.290 -0.272 20 0 DBADRM O=C([O-])/C=C\c1ccc(C(=O)N2CC3(C2)C[C@H](O)CNC3=O)o1 ZINC001608656872 1019238130 /nfs/dbraw/zinc/23/81/30/1019238130.db2.gz CTHIKGJHQZOCOV-MDHMXLOGSA-N -1 0 320.301 -0.300 20 0 DBADRM O=C([O-])CC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001608663786 1019238138 /nfs/dbraw/zinc/23/81/38/1019238138.db2.gz NZXAWZBCGFDKEJ-JTQLQIEISA-N -1 0 320.367 -0.886 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC001608675021 1019238265 /nfs/dbraw/zinc/23/82/65/1019238265.db2.gz AVDVGVKTEBOSHD-LDYMZIIASA-N -1 0 308.290 -0.272 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CCO)C1CC1 ZINC001608664883 1019238465 /nfs/dbraw/zinc/23/84/65/1019238465.db2.gz NDECOMNKHYFDAM-RYUDHWBXSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)CN1Cc2ccccc2OC1=O ZINC001608675412 1019238625 /nfs/dbraw/zinc/23/86/25/1019238625.db2.gz GEHSIIGSVQVQLD-JTQLQIEISA-N -1 0 308.290 -0.047 20 0 DBADRM O=C([O-])CC1(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC001608685487 1019239765 /nfs/dbraw/zinc/23/97/65/1019239765.db2.gz WMQGZSLSKUATEO-UHFFFAOYSA-N -1 0 318.333 -0.245 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)c1ccnn1CC1CCC1 ZINC001608676875 1019240152 /nfs/dbraw/zinc/24/01/52/1019240152.db2.gz GPXPCEIPYCGRHV-SNVBAGLBSA-N -1 0 317.367 -0.203 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)C2CC3(C2)CS(=O)(=O)C3)CCOC1 ZINC001608682877 1019240588 /nfs/dbraw/zinc/24/05/88/1019240588.db2.gz OTYGMJNENDGDND-ZDUSSCGKSA-N -1 0 317.363 -0.439 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC001608676246 1019240805 /nfs/dbraw/zinc/24/08/05/1019240805.db2.gz PTXXMPMDHSEGGI-ZCFIWIBFSA-N -1 0 313.335 -0.478 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Cn1ncc2ccccc2c1=O ZINC001608676000 1019240945 /nfs/dbraw/zinc/24/09/45/1019240945.db2.gz NJPSPWOWPBKVPX-JTQLQIEISA-N -1 0 305.290 -0.652 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cn1cc(C2CC2)cn1 ZINC001608689321 1019241758 /nfs/dbraw/zinc/24/17/58/1019241758.db2.gz BHQJZINAEOQOFR-NSHDSACASA-N -1 0 306.322 -0.438 20 0 DBADRM O=C([O-])CC1CC(NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001608691162 1019242559 /nfs/dbraw/zinc/24/25/59/1019242559.db2.gz XGRURMYPRWVJHT-UHFFFAOYSA-N -1 0 305.294 -0.740 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cc1ccc2c[nH]nc2c1 ZINC001608689454 1019242577 /nfs/dbraw/zinc/24/25/77/1019242577.db2.gz DEFBBGLGNSBZSS-GFCCVEGCSA-N -1 0 316.317 -0.093 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cc2n(n1)CCC[C@H]2O ZINC001608689912 1019243491 /nfs/dbraw/zinc/24/34/91/1019243491.db2.gz RQQAPNIMXRSKPH-WDEREUQCSA-N -1 0 322.321 -0.874 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CCCCc1c[nH]nn1 ZINC001608689458 1019243642 /nfs/dbraw/zinc/24/36/42/1019243642.db2.gz WBLRIRGKFJAPKG-SNVBAGLBSA-N -1 0 309.326 -0.681 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCn2cncc2C1 ZINC001608689467 1019244063 /nfs/dbraw/zinc/24/40/63/1019244063.db2.gz WTBKGXIWOKGZRY-GXSJLCMTSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cc2c([nH]c1=O)CCC2 ZINC001608689840 1019244115 /nfs/dbraw/zinc/24/41/15/1019244115.db2.gz OVAKGVODLYBOHE-NSHDSACASA-N -1 0 319.317 -0.309 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2CC(OCC(F)F)C2)C1 ZINC001608690447 1019244136 /nfs/dbraw/zinc/24/41/36/1019244136.db2.gz MXQHVTCCFBKUMB-UHFFFAOYSA-N -1 0 320.292 -0.152 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NCC[C@]2(O)CCCOC2)CCO1 ZINC001608699218 1019244838 /nfs/dbraw/zinc/24/48/38/1019244838.db2.gz CXVVVNJUTNKREW-SMDDNHRTSA-N -1 0 316.354 -0.197 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCCO2)CCO1 ZINC001608698451 1019244967 /nfs/dbraw/zinc/24/49/67/1019244967.db2.gz FABSQQGOIGPVGE-GHMZBOCLSA-N -1 0 314.338 -0.626 20 0 DBADRM O=C([O-])CC1CC(NC(=O)NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001608691835 1019245694 /nfs/dbraw/zinc/24/56/94/1019245694.db2.gz WZQVVNAYZUADPX-SHVIVCPWSA-N -1 0 320.367 -0.912 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001608701180 1019245799 /nfs/dbraw/zinc/24/57/99/1019245799.db2.gz PPAYMQWKFJGBFW-VIFPVBQESA-N -1 0 321.289 -0.272 20 0 DBADRM O=C([O-])C[C@H]1COCCN1CC(=O)N1CCOC[C@H]1C1CC1 ZINC001608700996 1019246543 /nfs/dbraw/zinc/24/65/43/1019246543.db2.gz FYDFXVUERXYNFJ-STQMWFEESA-N -1 0 312.366 -0.201 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1Cc1cc[nH]c(=O)c1 ZINC001608702814 1019247157 /nfs/dbraw/zinc/24/71/57/1019247157.db2.gz AHMGLKLMNGYXFL-SNVBAGLBSA-N -1 0 300.336 -0.139 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)C1CCC(O)CC1 ZINC001608702313 1019247262 /nfs/dbraw/zinc/24/72/62/1019247262.db2.gz JJDTXYQBCQDBQQ-HSOILSAZSA-N -1 0 319.379 -0.362 20 0 DBADRM O=C([O-])C[C@H]1CN(c2nnnn2CCc2cccnc2)CCO1 ZINC001608701984 1019247850 /nfs/dbraw/zinc/24/78/50/1019247850.db2.gz VOHRPESECHIEPH-LBPRGKRZSA-N -1 0 318.337 -0.009 20 0 DBADRM O=C([O-])C[C@@H]1CN(c2nnnn2CCc2cccnc2)CCO1 ZINC001608701983 1019247878 /nfs/dbraw/zinc/24/78/78/1019247878.db2.gz VOHRPESECHIEPH-GFCCVEGCSA-N -1 0 318.337 -0.009 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C[C@H](O)CC1(O)CCOCC1 ZINC001608701344 1019248355 /nfs/dbraw/zinc/24/83/55/1019248355.db2.gz YXGJTLFIFMHQCB-NWDGAFQWSA-N -1 0 303.355 -0.546 20 0 DBADRM O=C([O-])CCC(=O)COC(=O)c1ccc(-n2cnnn2)cn1 ZINC001608704584 1019248494 /nfs/dbraw/zinc/24/84/94/1019248494.db2.gz NWKUAYGWERFBDC-UHFFFAOYSA-N -1 0 305.250 -0.352 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1CN1C(=O)CC12CCC2 ZINC001608702868 1019248684 /nfs/dbraw/zinc/24/86/84/1019248684.db2.gz CAVNNRFPUXSRIV-SNVBAGLBSA-N -1 0 316.379 -0.327 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)OC1CCOCC1 ZINC001608703484 1019248826 /nfs/dbraw/zinc/24/88/26/1019248826.db2.gz XBQYBDHDYHDZEX-SECBINFHSA-N -1 0 321.351 -0.124 20 0 DBADRM O=C([O-])CCCc1nc(COC(=O)[C@@H]2COCCO2)no1 ZINC001608719194 1019249785 /nfs/dbraw/zinc/24/97/85/1019249785.db2.gz DGSPZHZESYPDDS-QMMMGPOBSA-N -1 0 300.267 -0.065 20 0 DBADRM O=C([O-])CCCNC(=O)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001608714574 1019249802 /nfs/dbraw/zinc/24/98/02/1019249802.db2.gz NISBIWQBKDFJPN-NXEZZACHSA-N -1 0 304.368 -0.073 20 0 DBADRM O=C([O-])CCCc1nc(COC(=O)[C@H]2COCCO2)no1 ZINC001608719193 1019249928 /nfs/dbraw/zinc/24/99/28/1019249928.db2.gz DGSPZHZESYPDDS-MRVPVSSYSA-N -1 0 300.267 -0.065 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)CN1CCOCC1=O ZINC001608721335 1019250299 /nfs/dbraw/zinc/25/02/99/1019250299.db2.gz KOPOYCCXPPOYPC-LLVKDONJSA-N -1 0 314.338 -0.673 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCO[C@@H](Cn2ccnn2)C1 ZINC001608718062 1019250605 /nfs/dbraw/zinc/25/06/05/1019250605.db2.gz RZELGTGCSCXHAC-JTQLQIEISA-N -1 0 318.355 -0.827 20 0 DBADRM O=C([O-])CCN(C(=O)C[C@H]1CC(=O)NC1=O)C1CCOCC1 ZINC001608720407 1019250932 /nfs/dbraw/zinc/25/09/32/1019250932.db2.gz JURAWVYCWZEIBP-SECBINFHSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC[C@H]1C1OCCO1 ZINC001608714427 1019251122 /nfs/dbraw/zinc/25/11/22/1019251122.db2.gz XBOSTJMYWWPMNP-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CC[C@H]3COC(=O)N[C@@H]3C2)C1=O ZINC001608723440 1019251674 /nfs/dbraw/zinc/25/16/74/1019251674.db2.gz PMLAFFYOFBRNNY-AXFHLTTASA-N -1 0 311.338 -0.508 20 0 DBADRM O=C([O-])CCN1CCC[C@H](OC(=O)CCc2nnc[nH]2)C1=O ZINC001608725492 1019252001 /nfs/dbraw/zinc/25/20/01/1019252001.db2.gz NFQQKCPWXIRYTR-VIFPVBQESA-N -1 0 310.310 -0.254 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)C[C@H]2CCC(=O)NC2)C1=O ZINC001608724030 1019253139 /nfs/dbraw/zinc/25/31/39/1019253139.db2.gz DSTBVZGSKDEKPM-ZJUUUORDSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)CCn2cnccc2=O)C1=O ZINC001608724636 1019253231 /nfs/dbraw/zinc/25/32/31/1019253231.db2.gz ROUJAMRWAJQWPH-JTQLQIEISA-N -1 0 323.305 -0.748 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)CS(=O)(=O)C2CC2)C1=O ZINC001608724857 1019253486 /nfs/dbraw/zinc/25/34/86/1019253486.db2.gz XXMKHKFNIISUBV-VIFPVBQESA-N -1 0 319.335 -0.818 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)c2cnn3ccncc23)C1=O ZINC001608724123 1019253810 /nfs/dbraw/zinc/25/38/10/1019253810.db2.gz FZCXZYSAVDNMPE-LLVKDONJSA-N -1 0 318.289 -0.038 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=S)NC[C@@H]1CCOC1 ZINC001608728876 1019257605 /nfs/dbraw/zinc/25/76/05/1019257605.db2.gz YYYWBEWILLMCBI-VIFPVBQESA-N -1 0 303.384 -0.532 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)Nc1ccncc1F ZINC001608750044 1019258946 /nfs/dbraw/zinc/25/89/46/1019258946.db2.gz CYIJSZZBSXKECV-SNVBAGLBSA-N -1 0 310.285 -0.160 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)Cn1ccccc1=O ZINC001608750324 1019259329 /nfs/dbraw/zinc/25/93/29/1019259329.db2.gz JBVUYNCRIMOFMY-SNVBAGLBSA-N -1 0 307.306 -0.960 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@H](O)c1cccnc1 ZINC001608745587 1019259940 /nfs/dbraw/zinc/25/99/40/1019259940.db2.gz YNVCRXWVIZBPMN-AWEZNQCLSA-N -1 0 323.349 -0.640 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)CC1(O)CCOCC1 ZINC001608750290 1019260443 /nfs/dbraw/zinc/26/04/43/1019260443.db2.gz IEBJRLFTVKBPSX-SNVBAGLBSA-N -1 0 314.338 -0.890 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CC1(Cn2cnnn2)CCCCC1 ZINC001574805943 1019260363 /nfs/dbraw/zinc/26/03/63/1019260363.db2.gz FOWUNFREAQAIJC-JTQLQIEISA-N -1 0 311.342 -0.425 20 0 DBADRM O=C([O-])CNC(=O)C[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC001608752606 1019263211 /nfs/dbraw/zinc/26/32/11/1019263211.db2.gz FGTHRQYMPMQGMD-UHFFFAOYSA-N -1 0 305.334 -0.131 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O ZINC001608752056 1019263313 /nfs/dbraw/zinc/26/33/13/1019263313.db2.gz JXBOVLGNPAQFQJ-QWRGUYRKSA-N -1 0 320.301 -0.392 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CN1c2ccccc2OCCC1=O ZINC001574809576 1019264668 /nfs/dbraw/zinc/26/46/68/1019264668.db2.gz REVNVOOSKQZGIC-JTQLQIEISA-N -1 0 308.290 -0.636 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1ccn2nccc2n1 ZINC001608751741 1019264816 /nfs/dbraw/zinc/26/48/16/1019264816.db2.gz XZSAUXPIFMCDFH-JTQLQIEISA-N -1 0 317.305 -0.465 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC001608752631 1019265322 /nfs/dbraw/zinc/26/53/22/1019265322.db2.gz HCDGIUISZXMOSS-SNVBAGLBSA-N -1 0 323.305 -0.820 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C[C@H]2CC(=O)N2)cc1 ZINC001608753606 1019266460 /nfs/dbraw/zinc/26/64/60/1019266460.db2.gz CWLAJVPZDDDXJV-NSHDSACASA-N -1 0 319.317 -0.353 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC001608757358 1019267405 /nfs/dbraw/zinc/26/74/05/1019267405.db2.gz UZYFVVNXNXTJDE-JTQLQIEISA-N -1 0 314.342 -0.713 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)CNC(=O)CCC1CCCC1 ZINC001608752887 1019267519 /nfs/dbraw/zinc/26/75/19/1019267519.db2.gz BRGMEPHRRVDMLK-UHFFFAOYSA-N -1 0 313.354 -0.610 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC001608757059 1019267575 /nfs/dbraw/zinc/26/75/75/1019267575.db2.gz UBPKIHGAOQFZSZ-UHFFFAOYSA-N -1 0 310.262 -0.429 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccc(-n2cccn2)c1 ZINC001608752991 1019267825 /nfs/dbraw/zinc/26/78/25/1019267825.db2.gz YDCWVXOMVAUFJZ-UHFFFAOYSA-N -1 0 302.290 -0.197 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC001608757165 1019268311 /nfs/dbraw/zinc/26/83/11/1019268311.db2.gz CTTWMHBSWSTYEU-UHFFFAOYSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1cnn(CC(F)(F)F)c1 ZINC001608753349 1019268685 /nfs/dbraw/zinc/26/86/85/1019268685.db2.gz ZXWABAUOSKZIBW-UHFFFAOYSA-N -1 0 323.231 -0.232 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001608757150 1019268947 /nfs/dbraw/zinc/26/89/47/1019268947.db2.gz BDJWDEVZURTXJH-BDAKNGLRSA-N -1 0 301.299 -0.773 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N2CC[C@@H](O)[C@H](CO)C2)cc1 ZINC001608758094 1019270067 /nfs/dbraw/zinc/27/00/67/1019270067.db2.gz KUNISWIFLACYQL-WCQYABFASA-N -1 0 309.318 -0.035 20 0 DBADRM O=C([O-])Cc1ccc(CNC(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC001608776750 1019270100 /nfs/dbraw/zinc/27/01/00/1019270100.db2.gz DBTZXRAACTVNBT-JTQLQIEISA-N -1 0 305.290 -0.472 20 0 DBADRM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NCCCO)cc2)[nH]1 ZINC001608776028 1019270394 /nfs/dbraw/zinc/27/03/94/1019270394.db2.gz OCCFBMZOJKYRME-UHFFFAOYSA-N -1 0 319.317 -0.095 20 0 DBADRM O=C([O-])CSCCC(=O)N[C@@H](CO)[C@@H](O)c1cccnc1 ZINC001608766901 1019271764 /nfs/dbraw/zinc/27/17/64/1019271764.db2.gz PZUFVLRCAMTWPS-GWCFXTLKSA-N -1 0 314.363 -0.200 20 0 DBADRM O=C([O-])COc1cccc(C(=O)OCC(=O)N2CCNC2=O)c1 ZINC001608763062 1019271907 /nfs/dbraw/zinc/27/19/07/1019271907.db2.gz MXRHPUHOWNZUMS-UHFFFAOYSA-N -1 0 322.273 -0.141 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)N2C[C@H](CO)[C@H](O)C2)n1 ZINC001608792532 1019273227 /nfs/dbraw/zinc/27/32/27/1019273227.db2.gz LRVWZRXWIMSACR-HTRCEHHLSA-N -1 0 301.324 -0.413 20 0 DBADRM O=C([O-])Cn1cc(Cn2cnc(C(F)(F)F)cc2=O)nn1 ZINC001608797916 1019273946 /nfs/dbraw/zinc/27/39/46/1019273946.db2.gz VZQUBPCJGIJZJF-UHFFFAOYSA-N -1 0 303.200 -0.014 20 0 DBADRM O=C([O-])Cn1cc(CN2CCC(Cn3cncn3)CC2)nn1 ZINC001608797066 1019274228 /nfs/dbraw/zinc/27/42/28/1019274228.db2.gz MXAQZPIAZHULEI-UHFFFAOYSA-N -1 0 305.342 -0.134 20 0 DBADRM O=C([O-])Cc1occc1C(=O)NCCCn1cc(CO)nn1 ZINC001608794059 1019274386 /nfs/dbraw/zinc/27/43/86/1019274386.db2.gz DVYIOUZVXOKFEQ-UHFFFAOYSA-N -1 0 308.294 -0.189 20 0 DBADRM O=C([O-])Cn1cc(CN2CCS(=O)(=O)C[C@@H]2C2CC2)nn1 ZINC001608797349 1019274738 /nfs/dbraw/zinc/27/47/38/1019274738.db2.gz CBHJEDGIDJSIJY-LLVKDONJSA-N -1 0 314.367 -0.628 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cn1 ZINC001608798155 1019274932 /nfs/dbraw/zinc/27/49/32/1019274932.db2.gz NCLPHYRQAAWLBO-GXSJLCMTSA-N -1 0 315.351 -0.187 20 0 DBADRM O=C([O-])Cn1cc(CCN2CCOC[C@H]2[C@@H]2CCCC2=O)nn1 ZINC001608796609 1019274955 /nfs/dbraw/zinc/27/49/55/1019274955.db2.gz HDODJYMSMVJBJO-STQMWFEESA-N -1 0 322.365 -0.025 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)CCc2ncccn2)nn1 ZINC001608796786 1019275613 /nfs/dbraw/zinc/27/56/13/1019275613.db2.gz SNFYPERPJFEWQZ-UHFFFAOYSA-N -1 0 305.294 -0.129 20 0 DBADRM O=C([O-])Cn1cc(CCN2CCO[C@H]([C@@H]3CCCO3)C2)nn1 ZINC001608796715 1019275679 /nfs/dbraw/zinc/27/56/79/1019275679.db2.gz NAMUSWMYCWFCOG-STQMWFEESA-N -1 0 310.354 -0.215 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N(CCO)CCOCC(F)(F)F ZINC001608801283 1019278609 /nfs/dbraw/zinc/27/86/09/1019278609.db2.gz OTMYFQGPCUSXDW-ZETCQYMHSA-N -1 0 320.239 -0.008 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)C[C@H]1C1CC1 ZINC001608805905 1019279172 /nfs/dbraw/zinc/27/91/72/1019279172.db2.gz PXYBENBTQBKZDU-PVTKRXDGSA-N -1 0 322.361 -0.604 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCN2C(=O)CSC2=O)O1 ZINC001608804224 1019279658 /nfs/dbraw/zinc/27/96/58/1019279658.db2.gz QDRJXCYCNZUILH-RQJHMYQMSA-N -1 0 302.308 -0.570 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CC1(O)CCSCC1)c2=O ZINC001608799525 1019279683 /nfs/dbraw/zinc/27/96/83/1019279683.db2.gz ISLAPPFJOVSVSL-UHFFFAOYSA-N -1 0 324.362 -0.064 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2C[C@@H](CO)[C@H](CCO)C2)C1 ZINC001608805448 1019279859 /nfs/dbraw/zinc/27/98/59/1019279859.db2.gz QOGCHLRAFWGFMV-WYUUTHIRSA-N -1 0 321.395 -0.508 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CC[C@H]1CCOC1=O)c2=O ZINC001608799234 1019280002 /nfs/dbraw/zinc/28/00/02/1019280002.db2.gz AMHXGFBJZRJLON-QMMMGPOBSA-N -1 0 306.278 -0.369 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(COC1CCOCC1)c2=O ZINC001608799827 1019280139 /nfs/dbraw/zinc/28/01/39/1019280139.db2.gz WISGOPWMKLXRIK-UHFFFAOYSA-N -1 0 308.294 -0.169 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNS(=O)(=O)C[C@@H]1CCCOC1 ZINC001608815416 1019281423 /nfs/dbraw/zinc/28/14/23/1019281423.db2.gz UOIAVLDBSUCBIN-GMTAPVOTSA-N -1 0 307.368 -0.178 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CCc1nc2cccnc2[nH]1 ZINC001608810373 1019282028 /nfs/dbraw/zinc/28/20/28/1019282028.db2.gz VGFJKKMHMXYCIY-SCZZXKLOSA-N -1 0 304.306 -0.063 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)CC(F)(F)F ZINC001608813448 1019282682 /nfs/dbraw/zinc/28/26/82/1019282682.db2.gz QOXTXFZYCYGTCW-WDSKDSINSA-N -1 0 323.227 -0.455 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2C[C@H](CO)[C@H](CO)C2)C1 ZINC001608810365 1019282909 /nfs/dbraw/zinc/28/29/09/1019282909.db2.gz UVYBDVHDRYRAHD-NNYUYHANSA-N -1 0 301.339 -0.685 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N([C@H]2CC(=O)N(CC3CC3)C2)C1=O ZINC001608814732 1019283271 /nfs/dbraw/zinc/28/32/71/1019283271.db2.gz ZRVJTUSUNPDRSJ-BTQIBKBOSA-N -1 0 321.333 -0.362 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC001608810780 1019283551 /nfs/dbraw/zinc/28/35/51/1019283551.db2.gz DMEXSBAOPZRGOW-JXUBOQSCSA-N -1 0 303.336 -0.878 20 0 DBADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@@H](CO)CN2CCOCC2)CC1 ZINC001608820447 1019285126 /nfs/dbraw/zinc/28/51/26/1019285126.db2.gz WWNBAIMXQDKEDW-JHJVBQTASA-N -1 0 314.382 -0.313 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@H](CO)[C@@H]2CCCOC2)C1 ZINC001608824328 1019285406 /nfs/dbraw/zinc/28/54/06/1019285406.db2.gz QXNSYJUXYMDSEP-CHWFTXMASA-N -1 0 307.368 -0.444 20 0 DBADRM O=C([O-])c1c(NC(=O)N2CC[C@@H](O)[C@@H](CO)C2)nc2n1CCC2 ZINC001608829807 1019286205 /nfs/dbraw/zinc/28/62/05/1019286205.db2.gz OMUSTHSSZFROMH-RKDXNWHRSA-N -1 0 324.337 -0.266 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1 ZINC001608821546 1019286348 /nfs/dbraw/zinc/28/63/48/1019286348.db2.gz WKIBCWGPHZEACG-CWSCBRNRSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])c1c(F)cccc1S(=O)(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC001608829495 1019286607 /nfs/dbraw/zinc/28/66/07/1019286607.db2.gz ZOWGBQFEVYWBLB-OCAPTIKFSA-N -1 0 305.283 -0.750 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)C[C@H]1CCC2(CCC2)O1 ZINC001608823886 1019287101 /nfs/dbraw/zinc/28/71/01/1019287101.db2.gz ZYNJBBNSVPICAC-GMTAPVOTSA-N -1 0 319.379 -0.062 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC001608818244 1019287485 /nfs/dbraw/zinc/28/74/85/1019287485.db2.gz VKHRMGSRVPHYPD-LURJTMIESA-N -1 0 317.245 -0.831 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCOC1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574874075 1019287736 /nfs/dbraw/zinc/28/77/36/1019287736.db2.gz BLBKGLRPFXABIF-DTWKUNHWSA-N -1 0 318.341 -0.968 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)on1 ZINC001608859589 1019287951 /nfs/dbraw/zinc/28/79/51/1019287951.db2.gz AINLERJMNRQYKF-WDSKDSINSA-N -1 0 302.264 -0.834 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H](CO)CC2CCC2)n[nH]1 ZINC001608859632 1019288147 /nfs/dbraw/zinc/28/81/47/1019288147.db2.gz BXWVKQXGYLGPDR-QMMMGPOBSA-N -1 0 303.340 -0.063 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCCO1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574875138 1019289050 /nfs/dbraw/zinc/28/90/50/1019289050.db2.gz WPAAIZNATTXYJS-DTWKUNHWSA-N -1 0 318.341 -0.826 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@H](CO)[C@H](O)c2cccnc2)on1 ZINC001608836849 1019289846 /nfs/dbraw/zinc/28/98/46/1019289846.db2.gz WAEMPQCCNIGPLP-MWLCHTKSSA-N -1 0 307.262 -0.408 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)on1 ZINC001608835460 1019290241 /nfs/dbraw/zinc/29/02/41/1019290241.db2.gz JIUSGMSLMCLVGU-WCBMZHEXSA-N -1 0 309.278 -0.508 20 0 DBADRM O=C([O-])c1cc(F)ccc1S(=O)(=O)N1CC(CO)(CO)C1 ZINC001608851291 1019291193 /nfs/dbraw/zinc/29/11/93/1019291193.db2.gz UGEVHJDIOQOVBB-UHFFFAOYSA-N -1 0 319.310 -0.501 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@]2(CO)COCCN2)s1 ZINC001608874188 1019292639 /nfs/dbraw/zinc/29/26/39/1019292639.db2.gz LOWDJUPLYLRZAI-LBPRGKRZSA-N -1 0 300.336 -0.473 20 0 DBADRM O=C([O-])c1ccc(OC[C@H](O)CN2CCOC[C@H]2CO)cc1 ZINC001608907133 1019292731 /nfs/dbraw/zinc/29/27/31/1019292731.db2.gz XIZAHVCVJPWATB-CHWSQXEVSA-N -1 0 311.334 -0.182 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)o1 ZINC001608873135 1019293768 /nfs/dbraw/zinc/29/37/68/1019293768.db2.gz NAMVALIEMDBDHR-AWEZNQCLSA-N -1 0 310.306 -0.503 20 0 DBADRM O=C([O-])c1ccc(CN2CCN3[C@H](CNS3(=O)=O)C2)nc1 ZINC001608882624 1019293972 /nfs/dbraw/zinc/29/39/72/1019293972.db2.gz HKPQYVIXUATRMY-LLVKDONJSA-N -1 0 312.351 -0.886 20 0 DBADRM O=C([O-])c1ccnc(C(=O)NC[C@@]23COC(=O)N2CCOC3)c1 ZINC001608951670 1019295435 /nfs/dbraw/zinc/29/54/35/1019295435.db2.gz IJFFJQKEWAKRBY-CQSZACIVSA-N -1 0 321.289 -0.269 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCC[C@@H](N3CCOCC3)C2)n1 ZINC001608950467 1019295478 /nfs/dbraw/zinc/29/54/78/1019295478.db2.gz SDEJJZYYEYSQSB-GFCCVEGCSA-N -1 0 322.365 -0.096 20 0 DBADRM O=C([O-])c1ccccc1C(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001608944752 1019296136 /nfs/dbraw/zinc/29/61/36/1019296136.db2.gz QTKSMRIIEOEFGY-CYBMUJFWSA-N -1 0 313.331 -0.336 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCc3n[nH]c(=O)cc3C2)n1 ZINC001608950786 1019296416 /nfs/dbraw/zinc/29/64/16/1019296416.db2.gz KWCVNUUBEGDIQC-UHFFFAOYSA-N -1 0 303.278 -0.338 20 0 DBADRM O=C([O-])c1ccnc(N2CCO[C@]3(CCS(=O)(=O)C3)C2)n1 ZINC001608952825 1019296486 /nfs/dbraw/zinc/29/64/86/1019296486.db2.gz PCTLVTKXTSEAKO-GFCCVEGCSA-N -1 0 313.335 -0.431 20 0 DBADRM O=C([O-])c1ccc2c(n1)CN(C(=O)CN1CCOCC1=O)CC2 ZINC001608925922 1019296892 /nfs/dbraw/zinc/29/68/92/1019296892.db2.gz CBFXTGIQDXZCBV-UHFFFAOYSA-N -1 0 319.317 -0.477 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N[C@H](CO)[C@@H]2CCOC2)c1 ZINC001608954303 1019297052 /nfs/dbraw/zinc/29/70/52/1019297052.db2.gz DBMYITDVCOEFDY-NXEZZACHSA-N -1 0 316.335 -0.545 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCN2CCCC2=O)cn1 ZINC001608912651 1019297205 /nfs/dbraw/zinc/29/72/05/1019297205.db2.gz XEZBKJHJDVVVOE-UHFFFAOYSA-N -1 0 313.335 -0.320 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCOC[C@H]2C[C@@H]2CCCO2)nn1 ZINC001608963280 1019298478 /nfs/dbraw/zinc/29/84/78/1019298478.db2.gz HIMNPZXFGQBBAK-MNOVXSKESA-N -1 0 324.337 -0.227 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)nn1 ZINC001608962521 1019299779 /nfs/dbraw/zinc/29/97/79/1019299779.db2.gz SMTYSLRSBZGGLU-QMMMGPOBSA-N -1 0 316.321 -0.112 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)C[C@H]3CCNC3=O)C2)nn1 ZINC001608957412 1019299869 /nfs/dbraw/zinc/29/98/69/1019299869.db2.gz CDOJAJIYPZXZNH-NXEZZACHSA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)NCCN1CCCC1=O ZINC001608956264 1019300210 /nfs/dbraw/zinc/30/02/10/1019300210.db2.gz LRDMYGFHIYMWCE-UHFFFAOYSA-N -1 0 302.308 -0.122 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@@H](CCCO)C2)nn1 ZINC001608963841 1019301427 /nfs/dbraw/zinc/30/14/27/1019301427.db2.gz LLHGQSRVYJWKIT-SNVBAGLBSA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@@H](O)[C@H](F)C2)nn1 ZINC001608963643 1019301772 /nfs/dbraw/zinc/30/17/72/1019301772.db2.gz CPTZIJJESSSJRO-VXNVDRBHSA-N -1 0 301.278 -0.909 20 0 DBADRM C[C@H](CNC(=O)CCCF)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574904666 1019301807 /nfs/dbraw/zinc/30/18/07/1019301807.db2.gz PRMCNCOEPVNYMH-VIFPVBQESA-N -1 0 322.348 -0.008 20 0 DBADRM O=C([O-])c1cnc(CN[C@H]2C(=O)NCC23CCOCC3)cn1 ZINC001608972215 1019302722 /nfs/dbraw/zinc/30/27/22/1019302722.db2.gz PHGNBPOJMVOIHL-NSHDSACASA-N -1 0 306.322 -0.440 20 0 DBADRM O=C([O-])c1cnc(N2CCS(=O)(=O)C[C@H]2CCO)nc1 ZINC001608975098 1019302752 /nfs/dbraw/zinc/30/27/52/1019302752.db2.gz JZZZKUWPBMWMAS-SECBINFHSA-N -1 0 301.324 -0.839 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCNC[C@H]2c2cccnc2)nn1 ZINC001608963584 1019302814 /nfs/dbraw/zinc/30/28/14/1019302814.db2.gz YSTMRLPPHSCWLS-LBPRGKRZSA-N -1 0 316.321 -0.456 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)c3cnon3)C2)nc1 ZINC001608974878 1019302924 /nfs/dbraw/zinc/30/29/24/1019302924.db2.gz CFFKJZABOXJSRL-QMMMGPOBSA-N -1 0 304.266 -0.434 20 0 DBADRM O=C([O-])c1cn(CN2CCC(C(=O)N3CCOCC3)CC2)nn1 ZINC001608964732 1019303441 /nfs/dbraw/zinc/30/34/41/1019303441.db2.gz HJSOTQQGOIEIJZ-UHFFFAOYSA-N -1 0 323.353 -0.495 20 0 DBADRM O=C([O-])c1cnc(CCNS(=O)(=O)N2CCOCC2)s1 ZINC001608971095 1019303526 /nfs/dbraw/zinc/30/35/26/1019303526.db2.gz USQJPKYADSREHB-UHFFFAOYSA-N -1 0 321.380 -0.450 20 0 DBADRM O=C([O-])c1cncnc1N1CCC(C(=O)NCCCO)CC1 ZINC001608983407 1019304488 /nfs/dbraw/zinc/30/44/88/1019304488.db2.gz GFBXPMMCWKOWET-UHFFFAOYSA-N -1 0 308.338 -0.110 20 0 DBADRM O=C([O-])c1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccn[nH]2)nc1 ZINC001608975770 1019305019 /nfs/dbraw/zinc/30/50/19/1019305019.db2.gz NVZOEVFMBYPUCH-JZYVYDRUSA-N -1 0 314.305 -0.238 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)[C@@H]3COCCO3)CC2)nc1 ZINC001608975329 1019305369 /nfs/dbraw/zinc/30/53/69/1019305369.db2.gz OSHDOSBJTHEPRQ-NSHDSACASA-N -1 0 322.321 -0.761 20 0 DBADRM O=C([O-])c1cncc(N2CCS(=O)(=O)C[C@@H]2CCO)n1 ZINC001608981612 1019306219 /nfs/dbraw/zinc/30/62/19/1019306219.db2.gz ZWCXPQUTFUFYRA-QMMMGPOBSA-N -1 0 301.324 -0.839 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)c2cccnn2)nc1 ZINC001608977358 1019306382 /nfs/dbraw/zinc/30/63/82/1019306382.db2.gz ZTCIQHVYVPNKML-SECBINFHSA-N -1 0 318.293 -0.832 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N2CCn3ncnc3C2)c1 ZINC001608982529 1019306453 /nfs/dbraw/zinc/30/64/53/1019306453.db2.gz NMLXPVYZZVKIKU-UHFFFAOYSA-N -1 0 309.307 -0.424 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)NC[C@]2(O)CCOC2)c1 ZINC001608982384 1019306519 /nfs/dbraw/zinc/30/65/19/1019306519.db2.gz ILJLBXALPLQFEZ-LLVKDONJSA-N -1 0 302.308 -0.791 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)NC[C@@H](O)[C@H]2CCCO2)c1 ZINC001608990526 1019307446 /nfs/dbraw/zinc/30/74/46/1019307446.db2.gz CGJTUMONJRRUQU-RKDXNWHRSA-N -1 0 305.308 -0.204 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)n1 ZINC001608998309 1019307721 /nfs/dbraw/zinc/30/77/21/1019307721.db2.gz IZZVHOIAVZUIFK-NXEZZACHSA-N -1 0 322.321 -0.715 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)c3cc[nH]n3)C2)n1 ZINC001608999465 1019308343 /nfs/dbraw/zinc/30/83/43/1019308343.db2.gz ZXGBOZXOJBECPE-MRVPVSSYSA-N -1 0 302.294 -0.354 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C3CCOCC3)C2=O)n1 ZINC001608998887 1019308389 /nfs/dbraw/zinc/30/83/89/1019308389.db2.gz GZCTWZCFCYWIJK-JTQLQIEISA-N -1 0 306.322 -0.212 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)c3n[nH]cc3F)C2)n1 ZINC001608999490 1019308599 /nfs/dbraw/zinc/30/85/99/1019308599.db2.gz BCAMCNQRSJGBOI-SSDOTTSWSA-N -1 0 320.284 -0.215 20 0 DBADRM O=C([O-])c1nc(N2CC[C@H](NC(=O)c3nnc[n-]3)C2)cc[nH+]1 ZINC001608997967 1019308642 /nfs/dbraw/zinc/30/86/42/1019308642.db2.gz VCGHHLIOCXYDJG-ZETCQYMHSA-N -1 0 303.282 -0.698 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CNC(=O)[C@H]2CCOC2)C2CC2)n1 ZINC001608999008 1019309161 /nfs/dbraw/zinc/30/91/61/1019309161.db2.gz KEZRKBVMKOHMIB-WDEREUQCSA-N -1 0 320.349 -0.060 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NCCCOCCO ZINC001609005494 1019310981 /nfs/dbraw/zinc/31/09/81/1019310981.db2.gz QQNAYQSYFRXKBF-UHFFFAOYSA-N -1 0 310.353 -0.481 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NC[C@@]1(O)CCOC1 ZINC001609000521 1019310699 /nfs/dbraw/zinc/31/06/99/1019310699.db2.gz DJWOHWOSBPLAEJ-NSHDSACASA-N -1 0 302.308 -0.791 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NCCN1CCNC1=O ZINC001609000876 1019310719 /nfs/dbraw/zinc/31/07/19/1019310719.db2.gz UFDJHIIJFLGTRY-UHFFFAOYSA-N -1 0 314.323 -0.917 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N[C@@H](CO)c1ncc[nH]1 ZINC001609000823 1019311400 /nfs/dbraw/zinc/31/14/00/1019311400.db2.gz RAIRBBZPNUDJNO-ZETCQYMHSA-N -1 0 312.307 -0.485 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CC[C@H](O)[C@H](F)C1 ZINC001609003323 1019311496 /nfs/dbraw/zinc/31/14/96/1019311496.db2.gz HMPVPIYYCAXETM-RITPCOANSA-N -1 0 310.328 -0.065 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NCC1OCCCO1 ZINC001609005616 1019313150 /nfs/dbraw/zinc/31/31/50/1019313150.db2.gz VGNCVQSVRBECFE-UHFFFAOYSA-N -1 0 308.337 -0.117 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2ccc(Cn3cncn3)cc2)C1 ZINC001609028554 1019314122 /nfs/dbraw/zinc/31/41/22/1019314122.db2.gz WCOKMUBMNGZSSL-HNNXBMFYSA-N -1 0 316.317 -0.012 20 0 DBADRM O=C([O-])c1cc(C(=O)OCCN2CCCS2(=O)=O)ccn1 ZINC001609023674 1019314251 /nfs/dbraw/zinc/31/42/51/1019314251.db2.gz PZVPZJMUCAJGTN-UHFFFAOYSA-N -1 0 314.319 -0.028 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2ccc3c(=O)[nH]cnc3c2)C1 ZINC001609028652 1019314814 /nfs/dbraw/zinc/31/48/14/1019314814.db2.gz CTMOLSJMVHNYGW-CQSZACIVSA-N -1 0 303.274 -0.003 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 ZINC001609040169 1019315311 /nfs/dbraw/zinc/31/53/11/1019315311.db2.gz XAPNXBHALIAOHW-DTWKUNHWSA-N -1 0 307.310 -0.582 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)nn1 ZINC001609035629 1019315514 /nfs/dbraw/zinc/31/55/14/1019315514.db2.gz KPAIFNMVSIBICI-NXEZZACHSA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N[C@H]2CCC(=O)NC2=O)n1 ZINC001609037559 1019316232 /nfs/dbraw/zinc/31/62/32/1019316232.db2.gz ZELKEMZXKDJSDX-QMMMGPOBSA-N -1 0 308.294 -0.717 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001609034390 1019316393 /nfs/dbraw/zinc/31/63/93/1019316393.db2.gz NLCOCEUILFSGIH-IUCAKERBSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)C[C@@H]3CCC(=O)N3)C2)nn1 ZINC001609036005 1019316843 /nfs/dbraw/zinc/31/68/43/1019316843.db2.gz QPRFGBXNRSTINE-VHSXEESVSA-N -1 0 321.337 -0.192 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@H]2Cc3cc(F)ccc3NC2=O)C1 ZINC001609046528 1019320801 /nfs/dbraw/zinc/32/08/01/1019320801.db2.gz QSJBGWWINYVCSP-SECBINFHSA-N -1 0 308.265 -0.406 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CC3(C2)CNC(=O)O3)C1 ZINC001609045181 1019321067 /nfs/dbraw/zinc/32/10/67/1019321067.db2.gz MFGWRSNFEYFDJF-SFYZADRCSA-N -1 0 304.324 -0.636 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)NC[C@@H]2CCCNC2=O)CC1 ZINC001609045054 1019321438 /nfs/dbraw/zinc/32/14/38/1019321438.db2.gz IJSFWORQXBTTOO-WDEREUQCSA-N -1 0 313.354 -0.620 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(C(=O)CC[C@@H]1NC(=O)NC1=O)CC2 ZINC001609044697 1019321520 /nfs/dbraw/zinc/32/15/20/1019321520.db2.gz UPDOYSJUVITQDW-IUCAKERBSA-N -1 0 309.322 -0.312 20 0 DBADRM O=C([O-])c1csc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC001609045080 1019322234 /nfs/dbraw/zinc/32/22/34/1019322234.db2.gz JCBHNEBVPYBWSP-VIFPVBQESA-N -1 0 309.347 -0.411 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(C(=O)CC[C@H]1NC(=O)NC1=O)CC2 ZINC001609044695 1019322283 /nfs/dbraw/zinc/32/22/83/1019322283.db2.gz UPDOYSJUVITQDW-DTWKUNHWSA-N -1 0 309.322 -0.312 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2Cc3cccnc3NC2=O)O1 ZINC001609046121 1019322453 /nfs/dbraw/zinc/32/24/53/1019322453.db2.gz BCAXTFJFDJNPOC-BBBLOLIVSA-N -1 0 305.290 -0.307 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001609044518 1019322486 /nfs/dbraw/zinc/32/24/86/1019322486.db2.gz WEKKIGIISQBSDG-RULNZFCNSA-N -1 0 324.255 -0.198 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N1CC2(C1)CNC(=O)O2 ZINC001609044932 1019323015 /nfs/dbraw/zinc/32/30/15/1019323015.db2.gz COUOIURHXHMLBC-UHFFFAOYSA-N -1 0 302.264 -0.539 20 0 DBADRM O=Cc1cncc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC001609050049 1019326283 /nfs/dbraw/zinc/32/62/83/1019326283.db2.gz DGBDOLPYPCIIRL-SNVBAGLBSA-N -1 0 312.303 -0.782 20 0 DBADRM O=CN1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC001609047777 1019327368 /nfs/dbraw/zinc/32/73/68/1019327368.db2.gz PSCFZSYRXDDOCK-UHFFFAOYSA-N -1 0 301.324 -0.434 20 0 DBADRM C[C@H](C(=O)NCc1ncccc1O)n1cnc(-c2nnn[n-]2)n1 ZINC001609069774 1019330254 /nfs/dbraw/zinc/33/02/54/1019330254.db2.gz FUAXAPKAOSHSRE-SSDOTTSWSA-N -1 0 315.297 -0.564 20 0 DBADRM C[C@H](C(=O)NC[C@@]1(C)CCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001609069972 1019330782 /nfs/dbraw/zinc/33/07/82/1019330782.db2.gz HYIBTOHFUWBWJC-PRHODGIISA-N -1 0 306.330 -0.296 20 0 DBADRM C[C@@H](C(=O)NCC[C@@H]1CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609070147 1019333515 /nfs/dbraw/zinc/33/35/15/1019333515.db2.gz JJOQWVHBLQYEGP-DTWKUNHWSA-N -1 0 306.330 -0.438 20 0 DBADRM C[C@@H](C(=O)N[C@](C)(CO)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068502 1019335116 /nfs/dbraw/zinc/33/51/16/1019335116.db2.gz KGRJRUDOFFPSSW-JVXZTZIISA-N -1 0 306.330 -0.704 20 0 DBADRM CC(C)(CCO)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609083969 1019337572 /nfs/dbraw/zinc/33/75/72/1019337572.db2.gz YDRGTHNSABXAEE-UHFFFAOYSA-N -1 0 323.361 -0.834 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001609088516 1019341131 /nfs/dbraw/zinc/34/11/31/1019341131.db2.gz RZQFJGRARYZLCL-SNVBAGLBSA-N -1 0 321.341 -0.262 20 0 DBADRM C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001609119804 1019346650 /nfs/dbraw/zinc/34/66/50/1019346650.db2.gz LFGOQQUGNZZNIS-SSDOTTSWSA-N -1 0 302.302 -0.931 20 0 DBADRM C[C@@H](O)CN(C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)[C@@H](C)CO ZINC001609128998 1019350897 /nfs/dbraw/zinc/35/08/97/1019350897.db2.gz KMIVXPLWMNJPCC-DTWKUNHWSA-N -1 0 321.337 -0.224 20 0 DBADRM CC1(C)CN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001609147252 1019355528 /nfs/dbraw/zinc/35/55/28/1019355528.db2.gz QIJMKNKGLJFHKV-VIFPVBQESA-N -1 0 324.366 -0.347 20 0 DBADRM CC1(C)[C@H](O)CCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609143389 1019356218 /nfs/dbraw/zinc/35/62/18/1019356218.db2.gz JZTATGVOLNYKOZ-MRVPVSSYSA-N -1 0 321.345 -0.987 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2c[nH]c(=O)cc2C)c1[O-] ZINC001575027384 1019363377 /nfs/dbraw/zinc/36/33/77/1019363377.db2.gz UNNLCZPKKIGPKZ-UHFFFAOYSA-N -1 0 319.321 -0.007 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)C[C@@H]2CCN(C)C2=O)c1[O-] ZINC001575027907 1019364183 /nfs/dbraw/zinc/36/41/83/1019364183.db2.gz ZSLMJCKFMHLEHF-VIFPVBQESA-N -1 0 323.353 -0.862 20 0 DBADRM CC[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)(C)O ZINC001609192148 1019369713 /nfs/dbraw/zinc/36/97/13/1019369713.db2.gz XFPMTNFLOCYWSF-YUMQZZPRSA-N -1 0 308.346 -0.315 20 0 DBADRM CCC1(CC)NC(=O)N(CCn2cnc(-c3nnn[n-]3)n2)C1=O ZINC001609197197 1019370214 /nfs/dbraw/zinc/37/02/14/1019370214.db2.gz STAWPXIHJLYNRN-UHFFFAOYSA-N -1 0 319.329 -0.431 20 0 DBADRM C[C@@H]1[C@H](C)OCCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609179710 1019370258 /nfs/dbraw/zinc/37/02/58/1019370258.db2.gz WJCIPVZDUOJRHC-BDAKNGLRSA-N -1 0 321.345 -0.723 20 0 DBADRM C[C@H]1OCCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)[C@H]1C ZINC001609179711 1019372276 /nfs/dbraw/zinc/37/22/76/1019372276.db2.gz WJCIPVZDUOJRHC-DTWKUNHWSA-N -1 0 321.345 -0.723 20 0 DBADRM CCOC(=O)N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001609234141 1019384582 /nfs/dbraw/zinc/38/45/82/1019384582.db2.gz SQHWYASYYSDWQN-UHFFFAOYSA-N -1 0 304.314 -0.065 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2CCC[C@H](O)C2)c1=O ZINC001609257606 1019387699 /nfs/dbraw/zinc/38/76/99/1019387699.db2.gz DRKDNNYQUNZLGS-UWVGGRQHSA-N -1 0 320.353 -0.239 20 0 DBADRM CCn1ncn([N-]C(=O)c2cc(-c3nn[nH]n3)ccn2)c1=O ZINC001609260205 1019387822 /nfs/dbraw/zinc/38/78/22/1019387822.db2.gz NJLNQYFOTVXPQH-UHFFFAOYSA-N -1 0 301.270 -0.976 20 0 DBADRM CCn1cnc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2nn[nH]n2)c1 ZINC001609258970 1019392451 /nfs/dbraw/zinc/39/24/51/1019392451.db2.gz YRSMKURAPSDSAE-UHFFFAOYSA-N -1 0 323.342 -0.085 20 0 DBADRM COC(=O)[C@@]1(F)CCN(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001609294711 1019410271 /nfs/dbraw/zinc/41/02/71/1019410271.db2.gz XPZXLVMSLZBJER-CYBMUJFWSA-N -1 0 322.300 -0.427 20 0 DBADRM COC(=O)[C@]1(C)CCN(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001609294210 1019411479 /nfs/dbraw/zinc/41/14/79/1019411479.db2.gz APIJQGAQSFPWAV-CQSZACIVSA-N -1 0 318.337 -0.129 20 0 DBADRM COC[C@H]1CCCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001609319663 1019427696 /nfs/dbraw/zinc/42/76/96/1019427696.db2.gz JGBKAIZTILPDQA-JTQLQIEISA-N -1 0 320.357 -0.267 20 0 DBADRM COC[C@H](CCO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609317525 1019430533 /nfs/dbraw/zinc/43/05/33/1019430533.db2.gz MCLSMOGLYBMJKN-ZETCQYMHSA-N -1 0 317.327 -0.865 20 0 DBADRM CS(=O)(=O)CC1(COc2cnc(-c3nnn[n-]3)nc2)CC1 ZINC001609366670 1019445635 /nfs/dbraw/zinc/44/56/35/1019445635.db2.gz JCBFNKYHMSJLKU-UHFFFAOYSA-N -1 0 310.339 -0.140 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)n(CC(=O)N2CCO[C@@H](C)C2)c1 ZINC001609386922 1019447713 /nfs/dbraw/zinc/44/77/13/1019447713.db2.gz ZYBCSVSGTKVLGR-JTQLQIEISA-N -1 0 318.337 -0.416 20 0 DBADRM Cc1cc(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)[nH]n1 ZINC001609400687 1019447902 /nfs/dbraw/zinc/44/79/02/1019447902.db2.gz AFBNIPWHIBZGPK-SSDOTTSWSA-N -1 0 302.302 -0.633 20 0 DBADRM Cc1cc(COC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)ncn1 ZINC001609402098 1019448866 /nfs/dbraw/zinc/44/88/66/1019448866.db2.gz QGNSJGDMBCFHNR-MRVPVSSYSA-N -1 0 315.297 -0.139 20 0 DBADRM Cc1nccn1CCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609457226 1019464394 /nfs/dbraw/zinc/46/43/94/1019464394.db2.gz FRHKKONVFSZGGF-MRVPVSSYSA-N -1 0 316.329 -0.659 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CCC[C@@H]2CCOC2)c1=O ZINC001609477298 1019470832 /nfs/dbraw/zinc/47/08/32/1019470832.db2.gz MJFDBEAYMYSWAH-SECBINFHSA-N -1 0 306.326 -0.456 20 0 DBADRM Cn1cc(-c2nn[nH]n2)cc1C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC001609478009 1019472429 /nfs/dbraw/zinc/47/24/29/1019472429.db2.gz LCVFQXHXCBZSPK-UHFFFAOYSA-N -1 0 322.310 -0.953 20 0 DBADRM Cn1nc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1C1CC1 ZINC001609481910 1019479227 /nfs/dbraw/zinc/47/92/27/1019479227.db2.gz WJMLRJPBIJEIBO-UHFFFAOYSA-N -1 0 314.313 -0.292 20 0 DBADRM C/C(=C\CN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O)C(=O)[O-] ZINC001609497940 1019487633 /nfs/dbraw/zinc/48/76/33/1019487633.db2.gz POUHSHGNIZAEPY-HOOMWESVSA-N -1 0 304.324 -0.628 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001609537397 1019504989 /nfs/dbraw/zinc/50/49/89/1019504989.db2.gz ODVHLACVPCDWFL-NXEZZACHSA-N -1 0 318.341 -0.514 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)CC1 ZINC001609571453 1019517433 /nfs/dbraw/zinc/51/74/33/1019517433.db2.gz IHOKXSFCNIKAGD-UHFFFAOYSA-N -1 0 309.307 -0.238 20 0 DBADRM O=S(=O)(NC1(CO)CCC1)c1cccnc1-c1nnn[n-]1 ZINC001609593795 1019524082 /nfs/dbraw/zinc/52/40/82/1019524082.db2.gz ISZMHDLNIPAGRZ-UHFFFAOYSA-N -1 0 310.339 -0.545 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1CCn2cnnc2C1 ZINC001609597919 1019530471 /nfs/dbraw/zinc/53/04/71/1019530471.db2.gz VQQBIUINWQKSBT-UHFFFAOYSA-N -1 0 322.310 -0.744 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1CCn2ncnc2C1 ZINC001609597716 1019530728 /nfs/dbraw/zinc/53/07/28/1019530728.db2.gz NQRMRPXQYGBEJG-UHFFFAOYSA-N -1 0 322.310 -0.744 20 0 DBADRM c1nc(-c2nnn[n-]2)nn1CCNc1ncnc2ccncc21 ZINC001609615608 1019534222 /nfs/dbraw/zinc/53/42/22/1019534222.db2.gz GIYHRXFJBFHPHS-UHFFFAOYSA-N -1 0 309.297 -0.092 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001609622423 1019535424 /nfs/dbraw/zinc/53/54/24/1019535424.db2.gz WCJLNSMAGVPJBS-WOPDTQHZSA-N -1 0 300.355 -0.169 20 0 DBADRM C[C@@H](C(=O)NC(N)=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001609634751 1019537602 /nfs/dbraw/zinc/53/76/02/1019537602.db2.gz LCUGXXSOTIYBIK-YUMQZZPRSA-N -1 0 310.314 -0.803 20 0 DBADRM CC(=O)c1cccc(OC[C@@H](O)Cn2nnc(CC(=O)[O-])n2)c1 ZINC001609630276 1019538060 /nfs/dbraw/zinc/53/80/60/1019538060.db2.gz XMUPBVVCFXKMBC-NSHDSACASA-N -1 0 320.305 -0.057 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)Cc1nncn1C ZINC001609632509 1019538739 /nfs/dbraw/zinc/53/87/39/1019538739.db2.gz SZRJFQRBZYOCBO-SNVBAGLBSA-N -1 0 309.370 -0.041 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC(c2nnc3n2CCC3)CC1 ZINC001609635024 1019538872 /nfs/dbraw/zinc/53/88/72/1019538872.db2.gz OGVNDPSXOMNULU-SNVBAGLBSA-N -1 0 321.381 -0.007 20 0 DBADRM C[C@H](C(=O)NC(N)=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001609634750 1019539609 /nfs/dbraw/zinc/53/96/09/1019539609.db2.gz LCUGXXSOTIYBIK-SFYZADRCSA-N -1 0 310.314 -0.803 20 0 DBADRM C[C@H](C(=O)N1CCSC[C@H](C(=O)[O-])C1)N1C(=O)CCC1=O ZINC001609633488 1019539954 /nfs/dbraw/zinc/53/99/54/1019539954.db2.gz DMWIDLVBUIAHFA-RKDXNWHRSA-N -1 0 314.363 -0.200 20 0 DBADRM CC(C)(CCNC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001609674715 1019543706 /nfs/dbraw/zinc/54/37/06/1019543706.db2.gz QUTUSSBPDPPJLT-UHFFFAOYSA-N -1 0 306.384 -0.666 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1CCC(=O)[O-] ZINC001609659038 1019543896 /nfs/dbraw/zinc/54/38/96/1019543896.db2.gz WYGWATPUPUYODY-VIFPVBQESA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)(CC(N)=O)NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001609674083 1019544727 /nfs/dbraw/zinc/54/47/27/1019544727.db2.gz MXYVIPIIAOHRRS-UHFFFAOYSA-N -1 0 301.324 -0.288 20 0 DBADRM CC(C)(C)OC(=O)NC(C)(C)C(=O)NCC(=O)NCC(=O)[O-] ZINC001609664507 1019544827 /nfs/dbraw/zinc/54/48/27/1019544827.db2.gz UNACXAXVEUWREC-UHFFFAOYSA-N -1 0 317.342 -0.393 20 0 DBADRM CC(C)(C)OC(=O)N1CCCN(C(=O)CO)[C@H](C(=O)[O-])C1 ZINC001609662719 1019544993 /nfs/dbraw/zinc/54/49/93/1019544993.db2.gz SBJZWNQPBWDSSL-VIFPVBQESA-N -1 0 302.327 -0.099 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1CN(CCC(=O)NCC(=O)[O-])CCO1 ZINC001609658567 1019545020 /nfs/dbraw/zinc/54/50/20/1019545020.db2.gz FAADYFFAOGJFSN-JTQLQIEISA-N -1 0 316.354 -0.380 20 0 DBADRM CC(=O)NCCN(C(=O)CO[C@H]1CCOC1)[C@H](C)C(=O)[O-] ZINC001609673521 1019545153 /nfs/dbraw/zinc/54/51/53/1019545153.db2.gz BKQGEACMHWLPNO-KOLCDFICSA-N -1 0 302.327 -0.770 20 0 DBADRM CC(C)C[C@H](NC(=O)CN(C)CCNS(C)(=O)=O)C(=O)[O-] ZINC001609693285 1019546634 /nfs/dbraw/zinc/54/66/34/1019546634.db2.gz GQWSXOWRMPGFEV-JTQLQIEISA-N -1 0 323.415 -0.917 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@@H]2C[C@H]1C[S@@]2=O)C(=O)[O-] ZINC001609694002 1019546665 /nfs/dbraw/zinc/54/66/65/1019546665.db2.gz KRSUCHQRGZSHTG-XKQOKNHGSA-N -1 0 302.396 -0.193 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCC[C@@H](OCCO)C1)C(=O)[O-] ZINC001609677040 1019546702 /nfs/dbraw/zinc/54/67/02/1019546702.db2.gz MFRINLABOPLTCW-SNVBAGLBSA-N -1 0 309.384 -0.100 20 0 DBADRM CC(=O)OC1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])CC1 ZINC001609689765 1019547353 /nfs/dbraw/zinc/54/73/53/1019547353.db2.gz XLPNCVSPUOOFGA-UHFFFAOYSA-N -1 0 300.311 -0.526 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC001609682796 1019548322 /nfs/dbraw/zinc/54/83/22/1019548322.db2.gz MRDCWTBCXASMDD-RQJHMYQMSA-N -1 0 314.260 -0.359 20 0 DBADRM CC(C)NC(=O)CN(C)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001609707112 1019549998 /nfs/dbraw/zinc/54/99/98/1019549998.db2.gz LWXOKPGGZANPGZ-UHFFFAOYSA-N -1 0 315.351 -0.075 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC001609710436 1019550282 /nfs/dbraw/zinc/55/02/82/1019550282.db2.gz UPOXXNJSAOQERK-UWVGGRQHSA-N -1 0 324.399 -0.397 20 0 DBADRM CC(C)NC(=O)OC1CN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC001609707459 1019551413 /nfs/dbraw/zinc/55/14/13/1019551413.db2.gz JTCDJHZAZOFUMJ-UHFFFAOYSA-N -1 0 308.356 0.000 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCO[C@@H]([C@@H](C)O)C1)C(=O)[O-] ZINC001609694063 1019552154 /nfs/dbraw/zinc/55/21/54/1019552154.db2.gz MXOMQQNVJMROOJ-GRYCIOLGSA-N -1 0 302.371 -0.317 20 0 DBADRM CC(C)OC(=O)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001609709215 1019552630 /nfs/dbraw/zinc/55/26/30/1019552630.db2.gz VWSGPQKQDLWIKI-UHFFFAOYSA-N -1 0 312.282 -0.875 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@@H](O)C1CCOCC1)C(=O)[O-] ZINC001609716236 1019554865 /nfs/dbraw/zinc/55/48/65/1019554865.db2.gz ASRUHISDWDLZPI-RYUDHWBXSA-N -1 0 317.338 -0.458 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-])c1 ZINC001609724358 1019555143 /nfs/dbraw/zinc/55/51/43/1019555143.db2.gz LWWREUMPEVZEFV-SECBINFHSA-N -1 0 305.356 -0.034 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001609747472 1019559698 /nfs/dbraw/zinc/55/96/98/1019559698.db2.gz CZYHHCANIDQLNA-GBJXRQAHSA-N -1 0 304.368 -0.809 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC[C@@H](N2CCCC2=O)C1)C(=O)[O-] ZINC001609716933 1019555363 /nfs/dbraw/zinc/55/53/63/1019555363.db2.gz ZIMZLGRCHGGGOJ-RISCZKNCSA-N -1 0 311.382 -0.092 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2ccnn2C)CC1 ZINC001609734948 1019555571 /nfs/dbraw/zinc/55/55/71/1019555571.db2.gz GGNJFAZPYGGAAM-SNVBAGLBSA-N -1 0 316.383 -0.410 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccnc2C(N)=O)CC1 ZINC001609735117 1019555966 /nfs/dbraw/zinc/55/59/66/1019555966.db2.gz KINCCUCBHIAEJX-SNVBAGLBSA-N -1 0 320.349 -0.199 20 0 DBADRM CC(C)[C@H](NC(=O)CN(C)[C@H](C)CN1CCOCC1)C(=O)[O-] ZINC001609715966 1019556583 /nfs/dbraw/zinc/55/65/83/1019556583.db2.gz LZPXVYWDCXUDRD-OCCSQVGLSA-N -1 0 315.414 -0.136 20 0 DBADRM CC(CO)(CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001609746053 1019557916 /nfs/dbraw/zinc/55/79/16/1019557916.db2.gz BTMYSAVZAZPFLP-UHFFFAOYSA-N -1 0 314.269 -0.678 20 0 DBADRM C[C@H](Cc1cnn(C)c1)NC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001609750253 1019558184 /nfs/dbraw/zinc/55/81/84/1019558184.db2.gz OGHIBKUFQMHNGD-YUSALJHKSA-N -1 0 310.354 -0.172 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)C(=O)NCCCCC(=O)[O-] ZINC001609743137 1019558377 /nfs/dbraw/zinc/55/83/77/1019558377.db2.gz FRQQELRTGWFIST-LLVKDONJSA-N -1 0 315.370 -0.806 20 0 DBADRM C[C@H](CO)NC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1 ZINC001609746359 1019558447 /nfs/dbraw/zinc/55/84/47/1019558447.db2.gz HWVVLUHAJHRCRN-SECBINFHSA-N -1 0 319.317 -0.097 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001609749461 1019558526 /nfs/dbraw/zinc/55/85/26/1019558526.db2.gz IZZCNGSKIYCFLA-CBUNIWKESA-N -1 0 306.384 -0.380 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001609747473 1019558540 /nfs/dbraw/zinc/55/85/40/1019558540.db2.gz CZYHHCANIDQLNA-GFIAGRMLSA-N -1 0 304.368 -0.809 20 0 DBADRM C[C@@H](CS(=O)(=O)NC[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001609750052 1019558814 /nfs/dbraw/zinc/55/88/14/1019558814.db2.gz MQAXPMSWKZIDHM-DTWKUNHWSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C)C(=O)[O-] ZINC001609747608 1019559000 /nfs/dbraw/zinc/55/90/00/1019559000.db2.gz MOHINEYMSJVRKN-WOPDTQHZSA-N -1 0 320.411 -0.168 20 0 DBADRM C[C@H](CO)CCCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001609747890 1019559412 /nfs/dbraw/zinc/55/94/12/1019559412.db2.gz YQOQPBMNVIWFGY-QWRGUYRKSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@](NC(=O)c1coc(S(N)(=O)=O)c1)(C(=O)[O-])C1CC1 ZINC001609773028 1019561324 /nfs/dbraw/zinc/56/13/24/1019561324.db2.gz XDYGCEQUDMATFO-LLVKDONJSA-N -1 0 302.308 -0.090 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001609758014 1019561345 /nfs/dbraw/zinc/56/13/45/1019561345.db2.gz CNCRRADFYNNOHB-QMMMGPOBSA-N -1 0 306.340 -0.455 20 0 DBADRM C[C@@H](NC(=O)COC(=O)c1occc1C(=O)[O-])C(=O)N(C)C ZINC001609764919 1019561519 /nfs/dbraw/zinc/56/15/19/1019561519.db2.gz WCYQUUVBPQZKCS-SSDOTTSWSA-N -1 0 312.278 -0.273 20 0 DBADRM C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ncc(C(=O)[O-])s1 ZINC001609761225 1019561712 /nfs/dbraw/zinc/56/17/12/1019561712.db2.gz CBDHZXDVXQQLSY-LURJTMIESA-N -1 0 324.318 -0.019 20 0 DBADRM C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ncc(C(=O)[O-])s1 ZINC001609761234 1019562085 /nfs/dbraw/zinc/56/20/85/1019562085.db2.gz CBDHZXDVXQQLSY-ZCFIWIBFSA-N -1 0 324.318 -0.019 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001609751897 1019562122 /nfs/dbraw/zinc/56/21/22/1019562122.db2.gz SCMINQQUBRWJQN-YGRLFVJLSA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@@](O)(CNC(=O)NCCn1cc(C(=O)[O-])nn1)c1ccco1 ZINC001609785401 1019563782 /nfs/dbraw/zinc/56/37/82/1019563782.db2.gz XQGYQPQCTNJQPM-CYBMUJFWSA-N -1 0 323.309 -0.224 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001609786492 1019564200 /nfs/dbraw/zinc/56/42/00/1019564200.db2.gz NYKMRWXUSMIJEL-LURJTMIESA-N -1 0 302.308 -0.033 20 0 DBADRM CC(C)C[C@]1(C)NC(=O)N(CCS(=O)(=O)CC(=O)[O-])C1=O ZINC001609790850 1019564977 /nfs/dbraw/zinc/56/49/77/1019564977.db2.gz HETFASIOPOWQNX-LBPRGKRZSA-N -1 0 320.367 -0.158 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001609788807 1019565065 /nfs/dbraw/zinc/56/50/65/1019565065.db2.gz ZCEQZDMKXHLLQA-UWVGGRQHSA-N -1 0 318.395 -0.508 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CCO1 ZINC001609788093 1019565669 /nfs/dbraw/zinc/56/56/69/1019565669.db2.gz NBGQFWJQKKCMHI-SKDRFNHKSA-N -1 0 322.317 -0.069 20 0 DBADRM C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001609788879 1019565820 /nfs/dbraw/zinc/56/58/20/1019565820.db2.gz LVCDRKPQHHFARO-MWLCHTKSSA-N -1 0 317.367 -0.108 20 0 DBADRM C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)NCC(=O)[O-] ZINC001609798378 1019566811 /nfs/dbraw/zinc/56/68/11/1019566811.db2.gz SUORKTQHOMFONQ-SSDOTTSWSA-N -1 0 309.278 -0.077 20 0 DBADRM C[C@H](OC(=O)c1ccnc2c1nnn2C)C(=O)NCC(=O)[O-] ZINC001609803159 1019567000 /nfs/dbraw/zinc/56/70/00/1019567000.db2.gz XMHNVRVOLPEASO-LURJTMIESA-N -1 0 307.266 -0.891 20 0 DBADRM C[C@@H](OC(=O)c1cncc(-n2ccnn2)c1)C(=O)NCC(=O)[O-] ZINC001609798774 1019567681 /nfs/dbraw/zinc/56/76/81/1019567681.db2.gz DCIZNSGJQHLMPJ-MRVPVSSYSA-N -1 0 319.277 -0.592 20 0 DBADRM C[C@@H](OC(=O)CN1CC(=O)NC1=O)C(=O)C(C)(C)C(=O)[O-] ZINC001609795128 1019567782 /nfs/dbraw/zinc/56/77/82/1019567782.db2.gz WAVFCBSFEUNEJD-ZCFIWIBFSA-N -1 0 300.267 -0.850 20 0 DBADRM C[C@@H](OC[C@H]1CCCO1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001609803121 1019568733 /nfs/dbraw/zinc/56/87/33/1019568733.db2.gz YERSQSZEFDRJHJ-NXEZZACHSA-N -1 0 312.326 -0.323 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)CCN2C(=O)CCNC2=S)C1 ZINC001609811484 1019569724 /nfs/dbraw/zinc/56/97/24/1019569724.db2.gz INBVKGOBDDPWRE-CYBMUJFWSA-N -1 0 313.379 -0.194 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC[C@H](CO)C2)C1 ZINC001609812810 1019571132 /nfs/dbraw/zinc/57/11/32/1019571132.db2.gz ACZFNRZTRVTTTC-XHDPSFHLSA-N -1 0 312.366 -0.069 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)NCCC2CS(=O)(=O)C2)C1 ZINC001609812666 1019571750 /nfs/dbraw/zinc/57/17/50/1019571750.db2.gz OOVXULBMUKXQQG-GFCCVEGCSA-N -1 0 304.368 -0.073 20 0 DBADRM C[C@@H](Sc1nnc(CO)n1C1CC1)C(=O)NCC(=O)[O-] ZINC001609806434 1019572134 /nfs/dbraw/zinc/57/21/34/1019572134.db2.gz LKVSBYJVQUYIPD-ZCFIWIBFSA-N -1 0 300.340 -0.213 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001609807004 1019572354 /nfs/dbraw/zinc/57/23/54/1019572354.db2.gz SMSAISIESRCSKJ-QMMMGPOBSA-N -1 0 314.367 -0.266 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001609830992 1019573777 /nfs/dbraw/zinc/57/37/77/1019573777.db2.gz QVQKNIYACGUTIC-ZETCQYMHSA-N -1 0 323.280 -0.191 20 0 DBADRM C[C@]1(CCCC(=O)N[C@H](CC(F)F)C(=O)[O-])NC(=O)NC1=O ZINC001609823664 1019573792 /nfs/dbraw/zinc/57/37/92/1019573792.db2.gz QMBUPRWYXKDJKB-SREIQFSDSA-N -1 0 321.280 -0.021 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCC2(C(=O)[O-])CC2)C1=O ZINC001609821837 1019573798 /nfs/dbraw/zinc/57/37/98/1019573798.db2.gz NKNZSZJRZCTQPG-ZDUSSCGKSA-N -1 0 309.322 -0.312 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001609831783 1019573886 /nfs/dbraw/zinc/57/38/86/1019573886.db2.gz WBJNSBQMTLFKLP-RXMQYKEDSA-N -1 0 305.337 -0.350 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001609831728 1019573979 /nfs/dbraw/zinc/57/39/79/1019573979.db2.gz VTXBTTQUGVQWLA-OTYXRUKQSA-N -1 0 311.338 -0.654 20 0 DBADRM C[C@@]1(CCC(=O)[O-])NC(=O)N(CN2CCC(C)(O)CC2)C1=O ZINC001609824689 1019574000 /nfs/dbraw/zinc/57/40/00/1019574000.db2.gz FHCDFTJBFCNFML-AWEZNQCLSA-N -1 0 313.354 -0.034 20 0 DBADRM C[C@@]1(CO)CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC001609822515 1019574513 /nfs/dbraw/zinc/57/45/13/1019574513.db2.gz MXFYZXJTRCVAPT-GFCCVEGCSA-N -1 0 317.367 -0.249 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001609830887 1019574604 /nfs/dbraw/zinc/57/46/04/1019574604.db2.gz PMTQLADMBUGNIH-QMMMGPOBSA-N -1 0 305.290 -0.030 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCCC1CS(=O)(=O)C1 ZINC001609830980 1019574635 /nfs/dbraw/zinc/57/46/35/1019574635.db2.gz HTYSFKDGAOZUAV-WPRPVWTQSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001609831003 1019574793 /nfs/dbraw/zinc/57/47/93/1019574793.db2.gz QXBXMMHNVRCNOC-ZCFIWIBFSA-N -1 0 311.319 -0.268 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCN(CC2CC2)CC1 ZINC001609835114 1019576247 /nfs/dbraw/zinc/57/62/47/1019576247.db2.gz PGXBQYJPPSNYPN-AAEUAGOBSA-N -1 0 323.393 -0.138 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC001609835739 1019576330 /nfs/dbraw/zinc/57/63/30/1019576330.db2.gz RKDNNBWUSFLLHS-ONGXEEELSA-N -1 0 323.349 -0.859 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)CC[C@H]1O ZINC001609861987 1019578472 /nfs/dbraw/zinc/57/84/72/1019578472.db2.gz APRAWTPIQNLNJY-UEKVPHQBSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CO1 ZINC001609841995 1019578657 /nfs/dbraw/zinc/57/86/57/1019578657.db2.gz ZJCDATIFVWZWQU-RKDXNWHRSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C[C@@H](CO)O1 ZINC001609874241 1019582465 /nfs/dbraw/zinc/58/24/65/1019582465.db2.gz JXTWSAJKHKZLGT-ZJUUUORDSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C[C@H](CO)O1 ZINC001609874236 1019582473 /nfs/dbraw/zinc/58/24/73/1019582473.db2.gz JXTWSAJKHKZLGT-NXEZZACHSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)C[C@H]1CCCO1 ZINC001609873216 1019583676 /nfs/dbraw/zinc/58/36/76/1019583676.db2.gz HHSWLVKQWFEIDU-NWDGAFQWSA-N -1 0 320.411 -0.024 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)C[C@H]1CCCO1 ZINC001609873218 1019584068 /nfs/dbraw/zinc/58/40/68/1019584068.db2.gz HHSWLVKQWFEIDU-VXGBXAGGSA-N -1 0 320.411 -0.024 20 0 DBADRM C[C@H]1CN(CN2C[C@@H](C(=O)[O-])OC2=O)C[C@@]2(CCOC2)O1 ZINC001609873679 1019584483 /nfs/dbraw/zinc/58/44/83/1019584483.db2.gz KRZXBNCDOGFOMS-OUJBWJOFSA-N -1 0 300.311 -0.271 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001609877646 1019585891 /nfs/dbraw/zinc/58/58/91/1019585891.db2.gz BESBSMYMHPBHSB-LHLIQPBNSA-N -1 0 322.364 -0.341 20 0 DBADRM C[C@H]1OCC[C@@H]1N(CCO)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001609880635 1019585987 /nfs/dbraw/zinc/58/59/87/1019585987.db2.gz MCOBJQZLXVIGPR-ZJUUUORDSA-N -1 0 310.372 -0.891 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)N[C@H](CC(=O)OC)C(=O)[O-])C1 ZINC001609882937 1019586146 /nfs/dbraw/zinc/58/61/46/1019586146.db2.gz KVLLVNYLPIXHPC-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001609880459 1019587211 /nfs/dbraw/zinc/58/72/11/1019587211.db2.gz WWDSQYMHWGRAFV-XVKPBYJWSA-N -1 0 314.294 -0.650 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CCCC(=O)[O-])[C@@H](C)CN1CCO ZINC001609875100 1019587593 /nfs/dbraw/zinc/58/75/93/1019587593.db2.gz RYPCKUUNYOZRPQ-MNOVXSKESA-N -1 0 308.400 -0.432 20 0 DBADRM C[C@](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)(C(N)=O)c1ccccc1 ZINC001609914276 1019588728 /nfs/dbraw/zinc/58/87/28/1019588728.db2.gz QNHNHPVATAFGKU-IINYFYTJSA-N -1 0 305.290 -0.267 20 0 DBADRM CC[C@](C)(NC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001609896680 1019589484 /nfs/dbraw/zinc/58/94/84/1019589484.db2.gz YDWLJUGAIUXISH-NSHDSACASA-N -1 0 301.324 -0.288 20 0 DBADRM CC[C@@H](CNC(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)[O-] ZINC001609919801 1019590212 /nfs/dbraw/zinc/59/02/12/1019590212.db2.gz IOJWXUSNRJBVDD-JUXJKVCFSA-N -1 0 311.338 -0.018 20 0 DBADRM C[C@H](O)CC(C)(C)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001575472735 1019590149 /nfs/dbraw/zinc/59/01/49/1019590149.db2.gz JBUDBFWFUGRULK-ZETCQYMHSA-N -1 0 323.357 -0.125 20 0 DBADRM CC[C@@H](C(=O)OC)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001609890595 1019590827 /nfs/dbraw/zinc/59/08/27/1019590827.db2.gz HAFIJSVLJYSAGR-LLVKDONJSA-N -1 0 316.354 -0.569 20 0 DBADRM CC[C@@H](COC)NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001609926115 1019591753 /nfs/dbraw/zinc/59/17/53/1019591753.db2.gz JXULARQHKJBCBQ-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001609945878 1019592535 /nfs/dbraw/zinc/59/25/35/1019592535.db2.gz BVHGTTNXYLUKIK-WYUUTHIRSA-N -1 0 312.366 -0.025 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001609942572 1019593365 /nfs/dbraw/zinc/59/33/65/1019593365.db2.gz IQTJBUSRVBYOPJ-CYBMUJFWSA-N -1 0 310.310 -0.570 20 0 DBADRM CC[C@H](NC(=O)c1cc(C(=O)[O-])on1)C(=O)N1CCOCC1 ZINC001609929030 1019593606 /nfs/dbraw/zinc/59/36/06/1019593606.db2.gz NGZDVURVKKFCFZ-QMMMGPOBSA-N -1 0 311.294 -0.260 20 0 DBADRM CC[C@@H](COC)NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001609926380 1019593804 /nfs/dbraw/zinc/59/38/04/1019593804.db2.gz PKLJZZYAZKXQFU-VIFPVBQESA-N -1 0 312.326 -0.244 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)[O-] ZINC001609943314 1019593866 /nfs/dbraw/zinc/59/38/66/1019593866.db2.gz SHURQDSPGMCMPM-LBPRGKRZSA-N -1 0 302.233 -0.145 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC001609955592 1019595448 /nfs/dbraw/zinc/59/54/48/1019595448.db2.gz QIWWXKIVPXIZIV-GFCCVEGCSA-N -1 0 306.282 -0.381 20 0 DBADRM CCC[C@@](C)(NC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001609954058 1019595557 /nfs/dbraw/zinc/59/55/57/1019595557.db2.gz RNLYFFUQYRGMJD-LLVKDONJSA-N -1 0 318.355 -0.710 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1ccc2c(c1)OCC(=O)N2)C(=O)[O-] ZINC001609956006 1019595909 /nfs/dbraw/zinc/59/59/09/1019595909.db2.gz ZJFMPOYYTUDULJ-CYBMUJFWSA-N -1 0 309.278 -0.025 20 0 DBADRM CCC[C@@]1(C)C(=O)NCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001609958430 1019596228 /nfs/dbraw/zinc/59/62/28/1019596228.db2.gz YFZFWJZSKGGTBF-ZDUSSCGKSA-N -1 0 309.326 -0.507 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-] ZINC001609973501 1019596257 /nfs/dbraw/zinc/59/62/57/1019596257.db2.gz XELPLOUUEZFLAK-NSHDSACASA-N -1 0 303.292 -0.471 20 0 DBADRM CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001609952996 1019596777 /nfs/dbraw/zinc/59/67/77/1019596777.db2.gz WTSJVDWYJUQSLS-WOPDTQHZSA-N -1 0 312.366 -0.071 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001609965336 1019596838 /nfs/dbraw/zinc/59/68/38/1019596838.db2.gz VNNZXHBIWXPTQT-AEJSXWLSSA-N -1 0 301.343 -0.350 20 0 DBADRM CCN(C)[C@@H](C(=O)NCC(=O)NCC(=O)[O-])c1ccccc1 ZINC001609990659 1019597804 /nfs/dbraw/zinc/59/78/04/1019597804.db2.gz PPAPASCGTOSISC-CQSZACIVSA-N -1 0 307.350 -0.004 20 0 DBADRM CCN([C@H]1CCNC1=O)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001609995989 1019597951 /nfs/dbraw/zinc/59/79/51/1019597951.db2.gz QFMQKNXUBIDBJE-LURJTMIESA-N -1 0 319.364 -0.260 20 0 DBADRM CCN([C@@H]1CCNC1=O)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001609995990 1019598141 /nfs/dbraw/zinc/59/81/41/1019598141.db2.gz QFMQKNXUBIDBJE-ZCFIWIBFSA-N -1 0 319.364 -0.260 20 0 DBADRM CCN(CCS(C)(=O)=O)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001610001284 1019598941 /nfs/dbraw/zinc/59/89/41/1019598941.db2.gz ABBGBHGPPGHKKX-UHFFFAOYSA-N -1 0 315.413 -0.207 20 0 DBADRM CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001609995428 1019599118 /nfs/dbraw/zinc/59/91/18/1019599118.db2.gz JIKRNPOATGPWHL-UHFFFAOYSA-N -1 0 324.337 -0.103 20 0 DBADRM C[C@H](OC(=O)CCC(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001609982843 1019599666 /nfs/dbraw/zinc/59/96/66/1019599666.db2.gz YTXPYVZXEHAKPT-YUMQZZPRSA-N -1 0 307.324 -0.914 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001610047857 1019609258 /nfs/dbraw/zinc/60/92/58/1019609258.db2.gz BGJLCHOWPZLGRN-SECBINFHSA-N -1 0 304.368 -0.361 20 0 DBADRM CCOC(=O)C(C)(C)CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001610010458 1019602742 /nfs/dbraw/zinc/60/27/42/1019602742.db2.gz HHRNZTGYTGSFKQ-SECBINFHSA-N -1 0 314.338 -0.233 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](CF)C(=O)[O-] ZINC001610013030 1019603445 /nfs/dbraw/zinc/60/34/45/1019603445.db2.gz BZERYTGFHBFTLM-JGVFFNPUSA-N -1 0 312.319 -0.729 20 0 DBADRM CCOC(=O)NCC(=O)NCc1c(C)nn(CC(=O)[O-])c1C ZINC001610019355 1019605110 /nfs/dbraw/zinc/60/51/10/1019605110.db2.gz OXJDIYWDHJRAKT-UHFFFAOYSA-N -1 0 312.326 -0.053 20 0 DBADRM CN(C(C)(C)C(=O)[O-])S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC001610097800 1019615419 /nfs/dbraw/zinc/61/54/19/1019615419.db2.gz UEVUWEDPJHVBMA-UHFFFAOYSA-N -1 0 322.383 -0.135 20 0 DBADRM CCOC(=O)CN(C)C(=O)COC(=O)c1cccc(C(=O)[O-])n1 ZINC001610016145 1019606424 /nfs/dbraw/zinc/60/64/24/1019606424.db2.gz UJZOQQHDLCAVGY-UHFFFAOYSA-N -1 0 324.289 -0.042 20 0 DBADRM C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)c1nnn[n-]1 ZINC001575491415 1019607466 /nfs/dbraw/zinc/60/74/66/1019607466.db2.gz HEMDQQMNOIMYMO-SSDOTTSWSA-N -1 0 315.297 -0.190 20 0 DBADRM C[C@@H](CNC(=O)C[C@@H]1CCC(=O)NC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001505934160 1019607541 /nfs/dbraw/zinc/60/75/41/1019607541.db2.gz XZTOURKKRPCQLC-UWVGGRQHSA-N -1 0 324.385 -0.637 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n(C)n1 ZINC001610058857 1019607694 /nfs/dbraw/zinc/60/76/94/1019607694.db2.gz IBIOCVZBLLJALB-WPRPVWTQSA-N -1 0 324.337 -0.785 20 0 DBADRM CC[S@](=O)CC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001610050429 1019608085 /nfs/dbraw/zinc/60/80/85/1019608085.db2.gz ZYBROAJFABICEQ-FQEVSTJZSA-N -1 0 305.352 -0.379 20 0 DBADRM CCS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC001610049710 1019608476 /nfs/dbraw/zinc/60/84/76/1019608476.db2.gz QVOYOSTVBHKPHA-LLVKDONJSA-N -1 0 315.347 -0.416 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)Cc1nc(CC(=O)NC)no1 ZINC001610036078 1019609394 /nfs/dbraw/zinc/60/93/94/1019609394.db2.gz VLCKVDXZRAXGAN-MRVPVSSYSA-N -1 0 300.315 -0.720 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001610082604 1019610459 /nfs/dbraw/zinc/61/04/59/1019610459.db2.gz PDKNDWQTZRKEKD-VHSXEESVSA-N -1 0 310.310 -0.722 20 0 DBADRM CCn1cncc1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001610084185 1019611269 /nfs/dbraw/zinc/61/12/69/1019611269.db2.gz PGPYLTLRLVZCTB-BDAKNGLRSA-N -1 0 303.340 -0.641 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001610068823 1019611414 /nfs/dbraw/zinc/61/14/14/1019611414.db2.gz ZJYBPGYTLUWKTJ-DQVYVTIASA-N -1 0 316.379 -0.713 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)OC ZINC001610085453 1019611683 /nfs/dbraw/zinc/61/16/83/1019611683.db2.gz DBEAQYJPUDNWEP-SSDOTTSWSA-N -1 0 305.312 -0.802 20 0 DBADRM CCn1ncnc1CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001610086004 1019611957 /nfs/dbraw/zinc/61/19/57/1019611957.db2.gz LVUDEEUDPJGZPB-UHFFFAOYSA-N -1 0 314.327 -0.942 20 0 DBADRM CCc1nc2ccccc2n1CC(=O)NCC(=O)NCC(=O)[O-] ZINC001610072893 1019612108 /nfs/dbraw/zinc/61/21/08/1019612108.db2.gz OUCXXPZGQVHIGS-UHFFFAOYSA-N -1 0 318.333 -0.084 20 0 DBADRM CCn1nc(C(=O)N2CC[C@H](OC)C[C@@H]2C(=O)[O-])ccc1=O ZINC001610083750 1019612146 /nfs/dbraw/zinc/61/21/46/1019612146.db2.gz POOJZJCGKOTVCF-GXSJLCMTSA-N -1 0 309.322 -0.033 20 0 DBADRM CCn1cc(C(=O)C(=O)N[C@H](CCC(=O)OC)C(=O)[O-])cn1 ZINC001610084623 1019612274 /nfs/dbraw/zinc/61/22/74/1019612274.db2.gz FFURPFIAWJCRDW-SECBINFHSA-N -1 0 311.294 -0.392 20 0 DBADRM CN(C(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(OCC(=O)[O-])cc1 ZINC001610091542 1019613852 /nfs/dbraw/zinc/61/38/52/1019613852.db2.gz DZOCDKAQKGMFHG-JTQLQIEISA-N -1 0 321.289 -0.289 20 0 DBADRM CN(C)C(=O)[C@@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001610094133 1019613937 /nfs/dbraw/zinc/61/39/37/1019613937.db2.gz HSONZGWYDQHUOB-SNVBAGLBSA-N -1 0 318.395 -0.019 20 0 DBADRM CCn1ncc(C(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)[O-])n1 ZINC001610087455 1019614279 /nfs/dbraw/zinc/61/42/79/1019614279.db2.gz AHDVOGUPRTUNIA-PSASIEDQSA-N -1 0 310.310 -0.224 20 0 DBADRM C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NCCC(=O)[O-])C[C@@H](C)O2 ZINC001610090793 1019614368 /nfs/dbraw/zinc/61/43/68/1019614368.db2.gz SXGMKJCEIKRYLV-BFVZDQMLSA-N -1 0 314.338 -0.628 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)OCc2oncc2C(=O)[O-])nn1 ZINC001610093964 1019614660 /nfs/dbraw/zinc/61/46/60/1019614660.db2.gz JTAHMGCXDVTBLA-UHFFFAOYSA-N -1 0 323.265 -0.591 20 0 DBADRM CN(C(=O)[C@@H]1CSCN1C(=O)COCC(=O)[O-])C1CC1 ZINC001610088656 1019615330 /nfs/dbraw/zinc/61/53/30/1019615330.db2.gz DZPBATTWTCVIJW-VIFPVBQESA-N -1 0 302.352 -0.390 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)c2ccc(C(=O)[O-])o2)n1 ZINC001610093596 1019615376 /nfs/dbraw/zinc/61/53/76/1019615376.db2.gz AWNXQBBTKDXQAE-UHFFFAOYSA-N -1 0 307.266 -0.090 20 0 DBADRM CC(C)(C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCC1 ZINC001575518067 1019617296 /nfs/dbraw/zinc/61/72/96/1019617296.db2.gz ZFANZTVSAJLKQF-UHFFFAOYSA-N -1 0 323.353 -0.045 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)c1cc(C(=O)[O-])no1 ZINC001610111732 1019621143 /nfs/dbraw/zinc/62/11/43/1019621143.db2.gz WHKSLBOZCAEWCA-VIFPVBQESA-N -1 0 313.310 -0.862 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC001610114266 1019621674 /nfs/dbraw/zinc/62/16/74/1019621674.db2.gz LZSCCNFQQPGGPI-SECBINFHSA-N -1 0 321.399 -0.373 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CN1CCNCC1=O ZINC001610121552 1019622890 /nfs/dbraw/zinc/62/28/90/1019622890.db2.gz OXIMDPZQEPKAPV-UHFFFAOYSA-N -1 0 305.334 -0.225 20 0 DBADRM CN(Cc1ccco1)C(=O)CN1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001610125071 1019623726 /nfs/dbraw/zinc/62/37/26/1019623726.db2.gz DPHTXIHDUYGBEM-LBPRGKRZSA-N -1 0 323.349 -0.097 20 0 DBADRM CN(C)c1ncc(CN(C)C(=O)Cn2cc(C(=O)[O-])nn2)cn1 ZINC001610124911 1019623878 /nfs/dbraw/zinc/62/38/78/1019623878.db2.gz NQXBLYHCBUWRSF-UHFFFAOYSA-N -1 0 319.325 -0.509 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)[O-])C(=O)NC ZINC001610133492 1019624058 /nfs/dbraw/zinc/62/40/58/1019624058.db2.gz STURIEQKNDQUNF-VIFPVBQESA-N -1 0 307.306 -0.036 20 0 DBADRM CN1CCN(CC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)CC1=O ZINC001610134434 1019624825 /nfs/dbraw/zinc/62/48/25/1019624825.db2.gz JTBTXDWSWWUNKU-INIZCTEOSA-N -1 0 319.361 -0.123 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1cncs1 ZINC001505954892 1019625389 /nfs/dbraw/zinc/62/53/89/1019625389.db2.gz KJWOEWVJEHBLSF-SSDOTTSWSA-N -1 0 324.366 -0.010 20 0 DBADRM CN1CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1=O ZINC001610138218 1019626441 /nfs/dbraw/zinc/62/64/41/1019626441.db2.gz GHCKRFXTGYNUGE-UHFFFAOYSA-N -1 0 309.253 -0.280 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)CCO1 ZINC001610138607 1019626947 /nfs/dbraw/zinc/62/69/47/1019626947.db2.gz DHMPGEJTIWHQJX-JTQLQIEISA-N -1 0 310.310 -0.298 20 0 DBADRM CN1CCO[C@@H](C(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001610137891 1019628661 /nfs/dbraw/zinc/62/86/61/1019628661.db2.gz ZJWQMMLEPXXUQW-CHWSQXEVSA-N -1 0 307.350 -0.228 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001610140777 1019629682 /nfs/dbraw/zinc/62/96/82/1019629682.db2.gz JPNBWQHYOQCZGK-SSDOTTSWSA-N -1 0 323.305 -0.417 20 0 DBADRM CNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001610139807 1019629718 /nfs/dbraw/zinc/62/97/18/1019629718.db2.gz DJDVXNQNJFUTRP-UHFFFAOYSA-N -1 0 302.308 -0.582 20 0 DBADRM CNC(=O)[C@@H](O)CNS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001610142635 1019629985 /nfs/dbraw/zinc/62/99/85/1019629985.db2.gz MZLVOCIKHCZAKP-VIFPVBQESA-N -1 0 316.335 -0.922 20 0 DBADRM CNC(=O)NC(=O)CCN1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001610142054 1019630470 /nfs/dbraw/zinc/63/04/70/1019630470.db2.gz HMRFLLPFLAJYGA-IUCAKERBSA-N -1 0 315.326 -0.830 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001610141051 1019630718 /nfs/dbraw/zinc/63/07/18/1019630718.db2.gz SHJAEZLJVOWVAN-SSDOTTSWSA-N -1 0 323.305 -0.417 20 0 DBADRM CC[C@H](C)[C@@H](C)C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001575548679 1019630816 /nfs/dbraw/zinc/63/08/16/1019630816.db2.gz JFNADOVRKXAJLX-DTWKUNHWSA-N -1 0 313.358 -0.396 20 0 DBADRM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001610143701 1019630888 /nfs/dbraw/zinc/63/08/88/1019630888.db2.gz UTDRRJSPCWXTKV-IUCAKERBSA-N -1 0 324.341 -0.810 20 0 DBADRM CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001610143698 1019631083 /nfs/dbraw/zinc/63/10/83/1019631083.db2.gz UTDRRJSPCWXTKV-DTWKUNHWSA-N -1 0 324.341 -0.810 20 0 DBADRM CNC(=O)C(C)(C)CN1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001610142083 1019631438 /nfs/dbraw/zinc/63/14/38/1019631438.db2.gz IGLTYIUEYJGDES-DTWKUNHWSA-N -1 0 311.338 -0.114 20 0 DBADRM C[C@H](CNC(=O)c1cc(F)c[nH]1)N(C)Cc1nn(C)c(=O)[n-]1 ZINC001505965416 1019632696 /nfs/dbraw/zinc/63/26/96/1019632696.db2.gz OCZZJRDDQYCIJT-MRVPVSSYSA-N -1 0 310.333 -0.174 20 0 DBADRM CNS(=O)(=O)N1CCN(Cc2cc(C)c(C(=O)[O-])o2)CC1 ZINC001610146407 1019632903 /nfs/dbraw/zinc/63/29/03/1019632903.db2.gz BAXPHNXJGADWFN-UHFFFAOYSA-N -1 0 317.367 -0.132 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(c2nccnc2C(=O)[O-])C1 ZINC001610146371 1019633065 /nfs/dbraw/zinc/63/30/65/1019633065.db2.gz OTJNZVNGELRMFW-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CCc1ccccc1C(N)=O ZINC001610151641 1019633209 /nfs/dbraw/zinc/63/32/09/1019633209.db2.gz DIEFCUUSXIZOPE-NSHDSACASA-N -1 0 322.317 -0.149 20 0 DBADRM COC(=O)C(C)(C)N1CCN([C@H](C)C(=O)NCC(=O)[O-])CC1 ZINC001610149999 1019633312 /nfs/dbraw/zinc/63/33/12/1019633312.db2.gz VRVPRDZHRQRBPI-SNVBAGLBSA-N -1 0 315.370 -0.855 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)NCC2(C(=O)[O-])CC2)CC1 ZINC001610146866 1019633573 /nfs/dbraw/zinc/63/35/73/1019633573.db2.gz WZZGTGLNOBHMFT-UHFFFAOYSA-N -1 0 319.383 -0.426 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001610147018 1019633614 /nfs/dbraw/zinc/63/36/14/1019633614.db2.gz YPXIOUZLEVZQJJ-LBPRGKRZSA-N -1 0 318.326 -0.209 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CCc1ccccc1C(N)=O ZINC001610151640 1019633963 /nfs/dbraw/zinc/63/39/63/1019633963.db2.gz DIEFCUUSXIZOPE-LLVKDONJSA-N -1 0 322.317 -0.149 20 0 DBADRM CO[C@]1(CNS(=O)(=O)c2csnc2C(=O)[O-])CCOC1 ZINC001610228740 1019653665 /nfs/dbraw/zinc/65/36/65/1019653665.db2.gz MHZWSCFRUQHYBZ-JTQLQIEISA-N -1 0 322.364 -0.075 20 0 DBADRM COC(=O)[C@H](NC(=O)c1cc(C(=O)[O-])no1)c1ccn(C)n1 ZINC001610153680 1019636248 /nfs/dbraw/zinc/63/62/48/1019636248.db2.gz JGUXFEANTWMBMA-SECBINFHSA-N -1 0 308.250 -0.250 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc(OC(F)F)n(C)n1 ZINC001610154239 1019636290 /nfs/dbraw/zinc/63/62/90/1019636290.db2.gz VOOVLIZLURJLJD-ZCFIWIBFSA-N -1 0 321.236 -0.232 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001610153401 1019636798 /nfs/dbraw/zinc/63/67/98/1019636798.db2.gz RITBBCULKFQCHZ-KWQFWETISA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001610152855 1019636964 /nfs/dbraw/zinc/63/69/64/1019636964.db2.gz LDRUFLJCZVIAEW-GXSJLCMTSA-N -1 0 309.322 -0.114 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCC(F)F ZINC001610171471 1019638853 /nfs/dbraw/zinc/63/88/53/1019638853.db2.gz LQADCPGHKKZPQB-RQJHMYQMSA-N -1 0 322.264 -0.768 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NCC(F)F)[C@H](C(=O)[O-])C1 ZINC001610166543 1019639014 /nfs/dbraw/zinc/63/90/14/1019639014.db2.gz ILXQGHDHJQJPIQ-RQJHMYQMSA-N -1 0 322.264 -0.768 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1CCC(=O)N(C)OC ZINC001610167356 1019639029 /nfs/dbraw/zinc/63/90/29/1019639029.db2.gz SSVISRHKNYRMFV-NXEZZACHSA-N -1 0 302.327 -0.266 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCC(F)F ZINC001610171467 1019639346 /nfs/dbraw/zinc/63/93/46/1019639346.db2.gz LQADCPGHKKZPQB-NKWVEPMBSA-N -1 0 322.264 -0.768 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001610165584 1019639530 /nfs/dbraw/zinc/63/95/30/1019639530.db2.gz LBMHBVWCUZHIPI-GUBZILKMSA-N -1 0 323.367 -0.311 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cnc(OC)nc1 ZINC001610170927 1019640116 /nfs/dbraw/zinc/64/01/16/1019640116.db2.gz HXXVVXYWLFTTCK-SCZZXKLOSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)CC[C@H]1CCOC1)C(=O)[O-] ZINC001610179339 1019641063 /nfs/dbraw/zinc/64/10/63/1019641063.db2.gz UZMRSYFXANFBLD-RKDXNWHRSA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)C[C@@]1(NS(=O)(=O)C[C@H](C)C(=O)[O-])CCOC1 ZINC001610177778 1019641292 /nfs/dbraw/zinc/64/12/92/1019641292.db2.gz JAIPINCVBVYQCS-KWQFWETISA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)C[C@H](NC(=O)Cn1cnc2c1CCCC2)C(=O)[O-] ZINC001610180946 1019641573 /nfs/dbraw/zinc/64/15/73/1019641573.db2.gz OHDSCUKQHOJIFV-JTQLQIEISA-N -1 0 309.322 -0.106 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H]1CCCC12OCCO2)C(=O)[O-] ZINC001610181262 1019642374 /nfs/dbraw/zinc/64/23/74/1019642374.db2.gz RTIQNLXDZRFSIL-IUCAKERBSA-N -1 0 301.295 -0.338 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCCC(N)=O ZINC001610178416 1019642649 /nfs/dbraw/zinc/64/26/49/1019642649.db2.gz XIYBFTDXEWDGCC-RKDXNWHRSA-N -1 0 300.311 -0.493 20 0 DBADRM COC(=O)[C@H]1CC(=O)N(CN(CC(=O)[O-])CC(F)(F)F)C1 ZINC001610178749 1019642726 /nfs/dbraw/zinc/64/27/26/1019642726.db2.gz WKODGXKCDLRCRJ-ZETCQYMHSA-N -1 0 312.244 -0.086 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)CCCCCC(=O)[O-])CCO1 ZINC001610180275 1019642749 /nfs/dbraw/zinc/64/27/49/1019642749.db2.gz WDXCDVUKYKOTCV-JTQLQIEISA-N -1 0 323.367 -0.165 20 0 DBADRM COC[C@](C)(NCc1nnc(S(C)(=O)=O)s1)C(=O)[O-] ZINC001610243975 1019656274 /nfs/dbraw/zinc/65/62/74/1019656274.db2.gz LMEAVEJNPPAFMS-VIFPVBQESA-N -1 0 309.369 -0.479 20 0 DBADRM COC(=O)CN(C)CCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001610183095 1019644827 /nfs/dbraw/zinc/64/48/27/1019644827.db2.gz XNFPEZUHNKOKBR-UHFFFAOYSA-N -1 0 319.339 -0.904 20 0 DBADRM COC(=O)CNC(=O)Cc1ccccc1C(=O)NCC(=O)[O-] ZINC001610185415 1019645678 /nfs/dbraw/zinc/64/56/78/1019645678.db2.gz SMIGYHSIULTRIF-UHFFFAOYSA-N -1 0 308.290 -0.667 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CCN1CCOCC1)C(=O)[O-] ZINC001610183768 1019645711 /nfs/dbraw/zinc/64/57/11/1019645711.db2.gz YFBCLMFZDKZCTQ-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)OCc1noc(CCC(=O)[O-])n1 ZINC001610190011 1019647418 /nfs/dbraw/zinc/64/74/18/1019647418.db2.gz GMNNNJXQTBHJHH-LURJTMIESA-N -1 0 301.255 -0.126 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001610190211 1019647678 /nfs/dbraw/zinc/64/76/78/1019647678.db2.gz JQCFBAZIXQGMTL-YIZRAAEISA-N -1 0 316.310 -0.404 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)OCC(=O)NCC(=O)[O-])CC1 ZINC001610192635 1019647824 /nfs/dbraw/zinc/64/78/24/1019647824.db2.gz RDYZGVJIWLEPQB-KYZUINATSA-N -1 0 301.295 -0.290 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)Cn1cc(C2CC2)nn1 ZINC001610192555 1019647989 /nfs/dbraw/zinc/64/79/89/1019647989.db2.gz DAXBZRVTTSNCIP-SECBINFHSA-N -1 0 310.310 -0.322 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)[C@H]1CCCCS1(=O)=O ZINC001610191607 1019648086 /nfs/dbraw/zinc/64/80/86/1019648086.db2.gz VLJRSAGWKKGUQW-HTQZYQBOSA-N -1 0 308.308 -0.487 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001610192155 1019648168 /nfs/dbraw/zinc/64/81/68/1019648168.db2.gz CYCAOZPFMZRMMI-VGMNWLOBSA-N -1 0 309.340 -0.917 20 0 DBADRM COC(=O)NCC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001610187110 1019648402 /nfs/dbraw/zinc/64/84/02/1019648402.db2.gz FMPWLXWZLLLMLZ-YUMQZZPRSA-N -1 0 302.283 -0.793 20 0 DBADRM COC(=O)N1CCCN(Cn2nc(C(=O)[O-])ccc2=O)CC1 ZINC001610190997 1019648904 /nfs/dbraw/zinc/64/89/04/1019648904.db2.gz QYDAHYMUUTUHMU-UHFFFAOYSA-N -1 0 310.310 -0.327 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)NCCC(=O)[O-])C[C@]2(CCOC2)O1 ZINC001610195577 1019650061 /nfs/dbraw/zinc/65/00/61/1019650061.db2.gz YKFBJSJVNWCSNC-HZMBPMFUSA-N -1 0 314.338 -0.626 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)NCCO)cc1C(=O)[O-] ZINC001610212132 1019650455 /nfs/dbraw/zinc/65/04/55/1019650455.db2.gz SMQDUYDQYNOHOQ-UHFFFAOYSA-N -1 0 310.262 -0.782 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CF)C(=O)[O-])cnc1C ZINC001610206910 1019650819 /nfs/dbraw/zinc/65/08/19/1019650819.db2.gz XXXUOWCCILBPCN-SECBINFHSA-N -1 0 320.298 -0.122 20 0 DBADRM COC(=O)c1ccccc1NC(=O)CN1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC001610220169 1019651497 /nfs/dbraw/zinc/65/14/97/1019651497.db2.gz TZTFWOWJKWXQLJ-JOYOIKCWSA-N -1 0 322.317 -0.069 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CCn1ccccc1=O ZINC001610194397 1019651765 /nfs/dbraw/zinc/65/17/65/1019651765.db2.gz YKIVWNANFCOFDH-SNVBAGLBSA-N -1 0 310.306 -0.239 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)C(F)(F)F ZINC001610228774 1019652696 /nfs/dbraw/zinc/65/26/96/1019652696.db2.gz SGSFRXBLETYYBX-BQBZGAKWSA-N -1 0 312.244 -0.387 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)c2ccn(C)n2)[C@H](C(=O)[O-])C1 ZINC001610240524 1019653014 /nfs/dbraw/zinc/65/30/14/1019653014.db2.gz SPZVCSJPLBHDAR-BDAKNGLRSA-N -1 0 303.340 -0.327 20 0 DBADRM CO[C@H](C)CS(=O)(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001610225231 1019653160 /nfs/dbraw/zinc/65/31/60/1019653160.db2.gz LPFIFRAKWZTBEO-WDEREUQCSA-N -1 0 308.400 -0.168 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])CCOC1 ZINC001610234562 1019653546 /nfs/dbraw/zinc/65/35/46/1019653546.db2.gz SNVASONRZQBMKY-QMTHXVAHSA-N -1 0 314.338 -0.626 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@@H]1CN(C)CCO1)OC ZINC001610232728 1019653587 /nfs/dbraw/zinc/65/35/87/1019653587.db2.gz WBUZDXHTHVKBPU-JTQLQIEISA-N -1 0 304.343 -0.761 20 0 DBADRM CO[C@@H](C)CN(C)C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001610224758 1019653718 /nfs/dbraw/zinc/65/37/18/1019653718.db2.gz AFHAZLMZJIKCAF-QMMMGPOBSA-N -1 0 312.326 -0.292 20 0 DBADRM CO[C@@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)[C@@H](C(=O)[O-])C1 ZINC001610236059 1019654072 /nfs/dbraw/zinc/65/40/72/1019654072.db2.gz BMMKSVJEVZPCNL-MWLCHTKSSA-N -1 0 307.306 -0.115 20 0 DBADRM COCC(=O)N[C@H](C(=O)N[C@@H](CC(F)F)C(=O)[O-])C(C)C ZINC001610241540 1019655381 /nfs/dbraw/zinc/65/53/81/1019655381.db2.gz MIYHUXGNPAVHPI-XVKPBYJWSA-N -1 0 310.297 -0.002 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)c2c(C)cnn2C)[C@H](C(=O)[O-])C1 ZINC001610240826 1019655846 /nfs/dbraw/zinc/65/58/46/1019655846.db2.gz YZQOPNVJWQYONJ-UWVGGRQHSA-N -1 0 317.367 -0.019 20 0 DBADRM COC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001610245099 1019656145 /nfs/dbraw/zinc/65/61/45/1019656145.db2.gz KZUIUKNBXJEAQR-SSDOTTSWSA-N -1 0 302.308 -0.492 20 0 DBADRM COC[C@H](NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1)C1CC1 ZINC001610246343 1019656417 /nfs/dbraw/zinc/65/64/17/1019656417.db2.gz ZLZGNCHLMXREOX-MNOVXSKESA-N -1 0 314.338 -0.770 20 0 DBADRM COC[C@@H](NC(=O)[C@](C)(O)Cn1ccc(C)cc1=O)C(=O)[O-] ZINC001610246334 1019656440 /nfs/dbraw/zinc/65/64/40/1019656440.db2.gz ZGGYKABJYGCFSJ-QMTHXVAHSA-N -1 0 312.322 -0.876 20 0 DBADRM COC[C@H](NC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C)C(=O)[O-] ZINC001610245818 1019656727 /nfs/dbraw/zinc/65/67/27/1019656727.db2.gz IATSVPAAMRUFSF-BDAKNGLRSA-N -1 0 309.326 -0.221 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)c2c(C)cnn2C)[C@@H](C(=O)[O-])C1 ZINC001610240827 1019657298 /nfs/dbraw/zinc/65/72/98/1019657298.db2.gz YZQOPNVJWQYONJ-VHSXEESVSA-N -1 0 317.367 -0.019 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C(=O)[O-] ZINC001610248574 1019658457 /nfs/dbraw/zinc/65/84/57/1019658457.db2.gz HOZPIFFSDNSGPO-MRVPVSSYSA-N -1 0 320.298 -0.698 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)OC ZINC001610251346 1019658738 /nfs/dbraw/zinc/65/87/38/1019658738.db2.gz VNVSSEDYUPNPBM-ZETCQYMHSA-N -1 0 323.348 -0.087 20 0 DBADRM COC[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)[C@H]1CCCO1 ZINC001610249840 1019658969 /nfs/dbraw/zinc/65/89/69/1019658969.db2.gz GZGRCWPUYCAXSX-AXFHLTTASA-N -1 0 302.327 -0.325 20 0 DBADRM COC[C@H](OC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)C(=O)[O-] ZINC001610247223 1019659747 /nfs/dbraw/zinc/65/97/47/1019659747.db2.gz BWUJBBXKRTVPLX-ZJUUUORDSA-N -1 0 313.310 -0.455 20 0 DBADRM CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC001610251532 1019660140 /nfs/dbraw/zinc/66/01/40/1019660140.db2.gz HAPCHRWZIFHWBI-SNVBAGLBSA-N -1 0 313.354 -0.658 20 0 DBADRM COCCCOCC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001610257194 1019661133 /nfs/dbraw/zinc/66/11/33/1019661133.db2.gz BJKSHWJPSSENAH-QWRGUYRKSA-N -1 0 317.338 -0.096 20 0 DBADRM COCC[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC001610254209 1019661353 /nfs/dbraw/zinc/66/13/53/1019661353.db2.gz VCYUJVPHVUWZSZ-JTQLQIEISA-N -1 0 316.335 -0.447 20 0 DBADRM COCCN(C)C(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001610258376 1019661809 /nfs/dbraw/zinc/66/18/09/1019661809.db2.gz OYBRUSVZDZGBSU-LLVKDONJSA-N -1 0 315.370 -0.901 20 0 DBADRM COCC[C@H](NC(=O)CCSc1nnnn1C)C(=O)[O-] ZINC001610255158 1019661915 /nfs/dbraw/zinc/66/19/15/1019661915.db2.gz WKGYYDCJNVCYIT-ZETCQYMHSA-N -1 0 303.344 -0.702 20 0 DBADRM COCCN([C@@H]1CCOC1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001610257953 1019662184 /nfs/dbraw/zinc/66/21/84/1019662184.db2.gz KMMFALBPGHQUHP-SNVBAGLBSA-N -1 0 310.372 -0.625 20 0 DBADRM COCC[C@H](NC(=O)[C@](C)(O)Cn1ccccc1=O)C(=O)[O-] ZINC001610253844 1019662407 /nfs/dbraw/zinc/66/24/07/1019662407.db2.gz BSOSPGZINLQXCU-IINYFYTJSA-N -1 0 312.322 -0.795 20 0 DBADRM COCCCOCC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001610257392 1019662928 /nfs/dbraw/zinc/66/29/28/1019662928.db2.gz RHECHRGYFBTYKV-WDEREUQCSA-N -1 0 317.338 -0.096 20 0 DBADRM COCC[C@](C)(O)CNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001610253396 1019663034 /nfs/dbraw/zinc/66/30/34/1019663034.db2.gz XIOAGAFQQWXXGJ-NSHDSACASA-N -1 0 309.384 -0.052 20 0 DBADRM COCCS(=O)(=O)CC(=O)Nc1cccc(C(=O)[O-])c1N ZINC001610263640 1019664108 /nfs/dbraw/zinc/66/41/08/1019664108.db2.gz HKTQVDJHHNXVIW-UHFFFAOYSA-N -1 0 316.335 -0.033 20 0 DBADRM COCCNC(=O)C1CCN(Cn2cc(C(=O)[O-])nn2)CC1 ZINC001610261665 1019664695 /nfs/dbraw/zinc/66/46/95/1019664695.db2.gz MLDOBBAXOUBWRY-UHFFFAOYSA-N -1 0 311.342 -0.592 20 0 DBADRM COCc1cc(NC(=O)C(=O)N(C)CCO)cc(C(=O)[O-])c1 ZINC001610266866 1019665063 /nfs/dbraw/zinc/66/50/63/1019665063.db2.gz GJLUVPVDTSWKIW-UHFFFAOYSA-N -1 0 310.306 -0.080 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3cn(C)cn3)CC2)c1[O-] ZINC001506012005 1019665041 /nfs/dbraw/zinc/66/50/41/1019665041.db2.gz WZXOBNKTEFTBJY-UHFFFAOYSA-N -1 0 318.337 -0.150 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3ncn(C)n3)CC2)c1[O-] ZINC001506013636 1019665472 /nfs/dbraw/zinc/66/54/72/1019665472.db2.gz FRTQSYJQODASQZ-UHFFFAOYSA-N -1 0 319.325 -0.755 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])ccn1 ZINC001610298800 1019666713 /nfs/dbraw/zinc/66/67/13/1019666713.db2.gz JYGRRAMZDSYIDY-GXSJLCMTSA-N -1 0 323.305 -0.535 20 0 DBADRM CON(C)C(=O)CNC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001610275746 1019667006 /nfs/dbraw/zinc/66/70/06/1019667006.db2.gz MODAVCQXNCXEBW-QMMMGPOBSA-N -1 0 305.356 -0.535 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)ccn1 ZINC001610300562 1019668377 /nfs/dbraw/zinc/66/83/77/1019668377.db2.gz UZLXMOAPPJMCAW-UHFFFAOYSA-N -1 0 323.305 -0.533 20 0 DBADRM COc1ccc([C@@H](NCc2nc(=O)n(C)[nH]2)C(=O)[O-])cc1O ZINC001610322066 1019669755 /nfs/dbraw/zinc/66/97/55/1019669755.db2.gz ARJIKZQIRFWTEO-LLVKDONJSA-N -1 0 308.294 -0.262 20 0 DBADRM COc1cccc(CNC(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001610357229 1019669813 /nfs/dbraw/zinc/66/98/13/1019669813.db2.gz FADLAJTTWXBEEE-UHFFFAOYSA-N -1 0 320.309 -0.121 20 0 DBADRM COc1cccc(OCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC001610358454 1019670091 /nfs/dbraw/zinc/67/00/91/1019670091.db2.gz DGHDXMJEKWQFRA-LBPRGKRZSA-N -1 0 322.317 -0.124 20 0 DBADRM CCOC(=O)C1(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC001610314119 1019670840 /nfs/dbraw/zinc/67/08/40/1019670840.db2.gz AJBBRINUGDZJDO-VIFPVBQESA-N -1 0 300.311 -0.175 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N[C@@H]2CCOC2)cc1C(=O)[O-] ZINC001610333132 1019671332 /nfs/dbraw/zinc/67/13/32/1019671332.db2.gz KVGZRUNKSNDJLL-SNVBAGLBSA-N -1 0 322.317 -0.085 20 0 DBADRM COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001610345117 1019671557 /nfs/dbraw/zinc/67/15/57/1019671557.db2.gz GIXBUCHZLJPABZ-IUCAKERBSA-N -1 0 316.335 -0.454 20 0 DBADRM CS(=O)(=O)Cc1noc(CN[C@H]2CCC[C@@H]2C(=O)[O-])n1 ZINC001610375345 1019672971 /nfs/dbraw/zinc/67/29/71/1019672971.db2.gz ILCVXJOOVMZTOM-YUMQZZPRSA-N -1 0 303.340 -0.043 20 0 DBADRM CS(=O)(=O)NCCN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610374903 1019673658 /nfs/dbraw/zinc/67/36/58/1019673658.db2.gz DEMFOJUQZOQUDC-VIFPVBQESA-N -1 0 317.371 -0.838 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001610375159 1019674474 /nfs/dbraw/zinc/67/44/74/1019674474.db2.gz BLFFITBWKLSSKO-UHFFFAOYSA-N -1 0 302.352 -0.751 20 0 DBADRM CC1(C)C[C@@H]1CNC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001575653950 1019674568 /nfs/dbraw/zinc/67/45/68/1019674568.db2.gz DVSNHQVWSBPMKJ-SSDOTTSWSA-N -1 0 319.325 -0.709 20 0 DBADRM CSCCCNC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001610382514 1019676037 /nfs/dbraw/zinc/67/60/37/1019676037.db2.gz XQVUPSUUAVZUJU-SNVBAGLBSA-N -1 0 318.395 -0.460 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001610393820 1019676363 /nfs/dbraw/zinc/67/63/63/1019676363.db2.gz CTYXLICWJWCWLG-SECBINFHSA-N -1 0 306.322 -0.437 20 0 DBADRM CCS(=O)(=O)N1CCC(CNC(=O)[C@@H](C)C(=O)[O-])CC1 ZINC001610383266 1019676400 /nfs/dbraw/zinc/67/64/00/1019676400.db2.gz RRWNKQGBSYIQGA-SECBINFHSA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CCCn2ccnc2)C[C@H]1C(=O)[O-] ZINC001610390532 1019676625 /nfs/dbraw/zinc/67/66/25/1019676625.db2.gz FJWQPWVMLHHYGR-VXGBXAGGSA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)C[C@H]1C(=O)[O-] ZINC001610392879 1019676987 /nfs/dbraw/zinc/67/69/87/1019676987.db2.gz ONOFHKIOOYMQMM-FBIMIBRVSA-N -1 0 320.349 -0.438 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccsc1C(=O)[O-])C(=O)N(C)C ZINC001610389735 1019677021 /nfs/dbraw/zinc/67/70/21/1019677021.db2.gz QTFLUDJHTJORDR-ZCFIWIBFSA-N -1 0 313.335 -0.022 20 0 DBADRM CS[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001610382887 1019677036 /nfs/dbraw/zinc/67/70/36/1019677036.db2.gz YXKKUDHWEDNOAV-UWVGGRQHSA-N -1 0 316.379 -0.348 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(C(F)F)C2)C[C@H]1C(=O)[O-] ZINC001610390720 1019677377 /nfs/dbraw/zinc/67/73/77/1019677377.db2.gz PBMAXFRLXMCURN-RBDZCENOSA-N -1 0 320.292 -0.606 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CC(=O)[O-])[C@H](C)C1 ZINC001610383373 1019677751 /nfs/dbraw/zinc/67/77/51/1019677751.db2.gz XKDNQSRIZROPSA-VHSXEESVSA-N -1 0 321.399 -0.085 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC(CC(N)=O)C2)cccc1C(=O)[O-] ZINC001610417697 1019679217 /nfs/dbraw/zinc/67/92/17/1019679217.db2.gz OSLYHRPWXNDYKU-UHFFFAOYSA-N -1 0 319.317 -0.034 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCO[C@H](C)C2)cnn1CC(=O)[O-] ZINC001610420903 1019679489 /nfs/dbraw/zinc/67/94/89/1019679489.db2.gz NCZMQZAHQQJETI-MRVPVSSYSA-N -1 0 310.310 -0.538 20 0 DBADRM Cc1c(C(=O)[O-])cc(CN2CC[C@H](S(N)(=O)=O)C2)n1C ZINC001610406710 1019679547 /nfs/dbraw/zinc/67/95/47/1019679547.db2.gz BFABMDONDNHENZ-JTQLQIEISA-N -1 0 301.368 -0.105 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCSCC2)cnn1CC(=O)[O-] ZINC001610420755 1019679922 /nfs/dbraw/zinc/67/99/22/1019679922.db2.gz MGXKIWXRQJNKQZ-UHFFFAOYSA-N -1 0 312.351 -0.210 20 0 DBADRM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)nnn1-c1ccn(C)n1 ZINC001610405611 1019680290 /nfs/dbraw/zinc/68/02/90/1019680290.db2.gz OPKLDACMNYIPCQ-SECBINFHSA-N -1 0 304.310 -0.144 20 0 DBADRM C[C@H](NC(N)=O)C(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001610395085 1019680304 /nfs/dbraw/zinc/68/03/04/1019680304.db2.gz GALGUZIQVJWWBZ-CPCISQLKSA-N -1 0 307.306 -0.080 20 0 DBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N(C)CCO ZINC001610477213 1019682191 /nfs/dbraw/zinc/68/21/91/1019682191.db2.gz KPKCPBWTKYVOQG-UHFFFAOYSA-N -1 0 310.306 -0.152 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCNC(=O)C2CC2)c(C(=O)[O-])[nH]1 ZINC001610470498 1019682849 /nfs/dbraw/zinc/68/28/49/1019682849.db2.gz CGOMQQUBKBXWJG-UHFFFAOYSA-N -1 0 322.321 -0.398 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)sn1 ZINC001610468995 1019683429 /nfs/dbraw/zinc/68/34/29/1019683429.db2.gz FLGGPMNPMAFJHT-HTQZYQBOSA-N -1 0 313.335 -0.316 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001610475422 1019684198 /nfs/dbraw/zinc/68/41/98/1019684198.db2.gz GDGVPRPPWLVMDD-GXSJLCMTSA-N -1 0 310.306 -0.844 20 0 DBADRM Cc1cc(NC(=O)C(=O)Nc2cnn(CCO)c2)c(C(=O)[O-])[nH]1 ZINC001610472005 1019684244 /nfs/dbraw/zinc/68/42/44/1019684244.db2.gz PKKXNTKMLBIKEX-UHFFFAOYSA-N -1 0 321.293 -0.213 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CC[NH3+])C(=O)[O-] ZINC001610490260 1019685206 /nfs/dbraw/zinc/68/52/06/1019685206.db2.gz IDWLZRNOMFFYJQ-VIFPVBQESA-N -1 0 316.335 -0.226 20 0 DBADRM Cc1ccc(C(=O)C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC001610482064 1019685532 /nfs/dbraw/zinc/68/55/32/1019685532.db2.gz FXZZGGXJTAZESG-NSHDSACASA-N -1 0 304.302 -0.021 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NCC(=O)N1CCOCC1 ZINC001610542712 1019686585 /nfs/dbraw/zinc/68/65/85/1019686585.db2.gz GWGWCVZUSBIBHR-UHFFFAOYSA-N -1 0 310.306 -0.196 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC001610543533 1019687029 /nfs/dbraw/zinc/68/70/29/1019687029.db2.gz SZYCEGSXEIBKGL-SSDOTTSWSA-N -1 0 309.278 -0.425 20 0 DBADRM Cc1nccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n1 ZINC001610566489 1019688367 /nfs/dbraw/zinc/68/83/67/1019688367.db2.gz JEJNVCSUFKHUKP-RKDXNWHRSA-N -1 0 308.294 -0.982 20 0 DBADRM Cc1ncc(S(=O)(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)cc1C(=O)[O-] ZINC001610564770 1019688597 /nfs/dbraw/zinc/68/85/97/1019688597.db2.gz LHDQAWTZRPRHQW-GDNZZTSVSA-N -1 0 312.347 -0.053 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)c3cc(C(=O)[O-])no3)CC2)[nH]1 ZINC001610554922 1019688953 /nfs/dbraw/zinc/68/89/53/1019688953.db2.gz ILIOTSFSEQZBJP-UHFFFAOYSA-N -1 0 320.309 -0.243 20 0 DBADRM Cc1nc([C@H]2COCCN2C(=O)Cn2cc(C(=O)[O-])nn2)no1 ZINC001610554577 1019689351 /nfs/dbraw/zinc/68/93/51/1019689351.db2.gz HPMGERMOCWHNJQ-SECBINFHSA-N -1 0 322.281 -0.732 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-])CC2 ZINC001610574092 1019691388 /nfs/dbraw/zinc/69/13/88/1019691388.db2.gz MOABLMRJWRVWJJ-SCVCMEIPSA-N -1 0 308.338 -0.415 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001610569708 1019691800 /nfs/dbraw/zinc/69/18/00/1019691800.db2.gz QKCHYFXKOYVFRS-IUCAKERBSA-N -1 0 303.340 -0.815 20 0 DBADRM Cc1oc(CNC(=O)C(=O)NCc2ncn(C)n2)cc1C(=O)[O-] ZINC001610583265 1019692228 /nfs/dbraw/zinc/69/22/28/1019692228.db2.gz BIGMWWBOAOTHIB-UHFFFAOYSA-N -1 0 321.293 -0.653 20 0 DBADRM Cc1oc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2=O)cc1C(=O)[O-] ZINC001610586443 1019692597 /nfs/dbraw/zinc/69/25/97/1019692597.db2.gz FXLDRCOQCPHSFZ-ZETCQYMHSA-N -1 0 316.291 -0.678 20 0 DBADRM Cc1nc(-c2ccc(C(=O)NCC(=O)NCC(=O)[O-])cc2)n[nH]1 ZINC001610572822 1019692980 /nfs/dbraw/zinc/69/29/80/1019692980.db2.gz DJHMCHSFRWNMTJ-UHFFFAOYSA-N -1 0 317.305 -0.289 20 0 DBADRM Cn1c2ccccc2n(CCC(=O)NC[C@H](O)C(=O)[O-])c1=O ZINC001610596100 1019694136 /nfs/dbraw/zinc/69/41/36/1019694136.db2.gz YICUCIVIQIYASB-NSHDSACASA-N -1 0 307.306 -0.708 20 0 DBADRM Cn1cc(C(=O)Cn2cnc3c(cnn3CC(=O)[O-])c2=O)cn1 ZINC001610599528 1019694251 /nfs/dbraw/zinc/69/42/51/1019694251.db2.gz NAMPPTOMMMNSOU-UHFFFAOYSA-N -1 0 316.277 -0.706 20 0 DBADRM Cn1cc(C(C)(C)C(=O)NCCn2cc(C(=O)[O-])nn2)cn1 ZINC001610600746 1019694451 /nfs/dbraw/zinc/69/44/51/1019694451.db2.gz LOMQREFSBOMBSI-UHFFFAOYSA-N -1 0 306.326 -0.196 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)C(=O)NC(C)(C)C(=O)[O-])ccnc1-2 ZINC001610594287 1019694777 /nfs/dbraw/zinc/69/47/77/1019694777.db2.gz KXRMCVBCGGUOJN-UHFFFAOYSA-N -1 0 305.294 -0.740 20 0 DBADRM Cn1cc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c(=O)n(C)c1=O ZINC001610600409 1019694954 /nfs/dbraw/zinc/69/49/54/1019694954.db2.gz NSAVGWACAXIQHY-VIFPVBQESA-N -1 0 311.338 -0.297 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001610598657 1019695544 /nfs/dbraw/zinc/69/55/44/1019695544.db2.gz GHBVKWBRSLKBJJ-JTQLQIEISA-N -1 0 323.758 -0.014 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NCCC(=O)N1CCOCC1 ZINC001610595558 1019695574 /nfs/dbraw/zinc/69/55/74/1019695574.db2.gz HWWJBRZUOIFYSA-UHFFFAOYSA-N -1 0 309.322 -0.298 20 0 DBADRM Cn1cc(C(=O)Nc2nc(CC(=O)[O-])cs2)c(=O)[nH]c1=O ZINC001610600650 1019695670 /nfs/dbraw/zinc/69/56/70/1019695670.db2.gz FXMZFJTXVHRAIH-UHFFFAOYSA-N -1 0 310.291 -0.178 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cn1 ZINC001610603978 1019696954 /nfs/dbraw/zinc/69/69/54/1019696954.db2.gz YPDPKYXCOZBZRL-SLEUVZQESA-N -1 0 323.349 -0.727 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1=O ZINC001610609264 1019697336 /nfs/dbraw/zinc/69/73/36/1019697336.db2.gz GEWXUSJBYYVOEZ-SECBINFHSA-N -1 0 323.305 -0.974 20 0 DBADRM Cn1cc(CNC(C)(C)c2cc(C(=O)[O-])on2)c(=O)n(C)c1=O ZINC001610602560 1019697434 /nfs/dbraw/zinc/69/74/34/1019697434.db2.gz ABEISNCJAZXTEZ-UHFFFAOYSA-N -1 0 322.321 -0.205 20 0 DBADRM Cn1ccc([C@@H](NS(=O)(=O)C[C@H]2CCCO2)C(=O)[O-])n1 ZINC001610609058 1019697446 /nfs/dbraw/zinc/69/74/46/1019697446.db2.gz MGYJJNAWSAMWLI-PSASIEDQSA-N -1 0 303.340 -0.356 20 0 DBADRM Cn1ccnc1CN1CCC(C(=O)NC[C@H](O)C(=O)[O-])CC1 ZINC001610609336 1019697634 /nfs/dbraw/zinc/69/76/34/1019697634.db2.gz HGARMAZXOCSICD-NSHDSACASA-N -1 0 310.354 -0.806 20 0 DBADRM Cn1ccc([C@H](NS(=O)(=O)C[C@H]2CCCO2)C(=O)[O-])n1 ZINC001610609059 1019697806 /nfs/dbraw/zinc/69/78/06/1019697806.db2.gz MGYJJNAWSAMWLI-SCZZXKLOSA-N -1 0 303.340 -0.356 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cn1 ZINC001610603979 1019697939 /nfs/dbraw/zinc/69/79/39/1019697939.db2.gz YPDPKYXCOZBZRL-YWPYICTPSA-N -1 0 323.349 -0.727 20 0 DBADRM Cn1cc(N2CCN(C(=O)NCC3(C(=O)[O-])CC3)CC2=O)cn1 ZINC001610605468 1019697967 /nfs/dbraw/zinc/69/79/67/1019697967.db2.gz WRDPIESUGXYVOL-UHFFFAOYSA-N -1 0 321.337 -0.357 20 0 DBADRM NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001610639371 1019710487 /nfs/dbraw/zinc/71/04/87/1019710487.db2.gz XRLMPWAOLLGEFT-QMMMGPOBSA-N -1 0 322.726 -0.837 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCC[C@H](CCO)C1 ZINC001610614593 1019700193 /nfs/dbraw/zinc/70/01/93/1019700193.db2.gz MZPAHILYGXBZMM-SECBINFHSA-N -1 0 324.337 -0.322 20 0 DBADRM Cn1cnn(CC(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)c1=O ZINC001610611609 1019700439 /nfs/dbraw/zinc/70/04/39/1019700439.db2.gz MOHOOTNMUBNHKR-AWEZNQCLSA-N -1 0 319.321 -0.517 20 0 DBADRM Cn1cnc(CNS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC001610611276 1019700498 /nfs/dbraw/zinc/70/04/98/1019700498.db2.gz LKOKHXLCDCHZDX-IUCAKERBSA-N -1 0 302.356 -0.122 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC001610614382 1019700512 /nfs/dbraw/zinc/70/05/12/1019700512.db2.gz LADMEMFLAHTLBT-SNVBAGLBSA-N -1 0 322.321 -0.306 20 0 DBADRM Cn1ncc2c1nc(CN1CCC[C@H](O)[C@H]1C(=O)[O-])[nH]c2=O ZINC001610615110 1019700856 /nfs/dbraw/zinc/70/08/56/1019700856.db2.gz BMHPAJFGRFCGIJ-WPRPVWTQSA-N -1 0 307.310 -0.521 20 0 DBADRM Cn1cnn(CC(=O)NC2(C(=O)[O-])CCSCC2)c1=O ZINC001610611231 1019701064 /nfs/dbraw/zinc/70/10/64/1019701064.db2.gz FQYQLLQPDASBBQ-UHFFFAOYSA-N -1 0 300.340 -0.952 20 0 DBADRM Cn1cncc1[C@@H]1CC(=O)N(CN2CCOC[C@H]2CC(=O)[O-])C1 ZINC001610611629 1019701882 /nfs/dbraw/zinc/70/18/82/1019701882.db2.gz NETNWVQLKNLDFS-VXGBXAGGSA-N -1 0 322.365 -0.131 20 0 DBADRM Cn1nnc(CNS(=O)(=O)Cc2ccccc2C(=O)[O-])n1 ZINC001610617010 1019702477 /nfs/dbraw/zinc/70/24/77/1019702477.db2.gz DIUGNGHCRKAKIP-UHFFFAOYSA-N -1 0 311.323 -0.472 20 0 DBADRM Cn1nnc(CNC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)n1 ZINC001610617184 1019702514 /nfs/dbraw/zinc/70/25/14/1019702514.db2.gz PJBOKOLAAIJCAS-UHFFFAOYSA-N -1 0 322.256 -0.698 20 0 DBADRM Cn1nccc1CCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001610616595 1019702640 /nfs/dbraw/zinc/70/26/40/1019702640.db2.gz YMSQZMKTYPQEGO-LBPRGKRZSA-N -1 0 310.354 -0.170 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)CC2 ZINC001610615384 1019703342 /nfs/dbraw/zinc/70/33/42/1019703342.db2.gz SFMGARUWYBBIIG-JLLWLGSASA-N -1 0 307.350 -0.181 20 0 DBADRM Cn1nnnc1CCNC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001610617570 1019703550 /nfs/dbraw/zinc/70/35/50/1019703550.db2.gz AYKRXFBNPKFFGW-UHFFFAOYSA-N -1 0 323.313 -0.327 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1CCOC[C@@H]1CC(=O)[O-])CC2 ZINC001610617262 1019703785 /nfs/dbraw/zinc/70/37/85/1019703785.db2.gz UNTNHVQPUMBYCQ-UWVGGRQHSA-N -1 0 308.338 -0.378 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1 ZINC001610636244 1019704950 /nfs/dbraw/zinc/70/49/50/1019704950.db2.gz HDRBQZRKULAKBE-DGCLKSJQSA-N -1 0 322.317 -0.399 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001610640301 1019708418 /nfs/dbraw/zinc/70/84/18/1019708418.db2.gz JTFKSVJWVKIIEK-VHSXEESVSA-N -1 0 322.321 -0.843 20 0 DBADRM NC(=O)Nc1cccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC001610639095 1019709811 /nfs/dbraw/zinc/70/98/11/1019709811.db2.gz GFOPOAFDXDNUGT-JTQLQIEISA-N -1 0 320.305 -0.408 20 0 DBADRM Nc1c(F)cc(Cl)cc1C(=O)NCC(=O)NCC(=O)[O-] ZINC001610647018 1019712009 /nfs/dbraw/zinc/71/20/09/1019712009.db2.gz URDQUXGVABSEOS-UHFFFAOYSA-N -1 0 303.677 -0.008 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001610645972 1019712053 /nfs/dbraw/zinc/71/20/53/1019712053.db2.gz SSHOPUQYOAFTGU-MRVPVSSYSA-N -1 0 301.324 -0.394 20 0 DBADRM Nc1ccccc1S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001610648273 1019712094 /nfs/dbraw/zinc/71/20/94/1019712094.db2.gz PELHTOVCAILXKB-RKDXNWHRSA-N -1 0 300.336 -0.275 20 0 DBADRM Nc1nccnc1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610648648 1019712798 /nfs/dbraw/zinc/71/27/98/1019712798.db2.gz IZLLETNAPMQFIE-QMMMGPOBSA-N -1 0 317.309 -0.174 20 0 DBADRM O=C([O-])c1n[nH]c2ccc(NC(=O)CN3C(=O)CNC3=O)cc21 ZINC001610662422 1019713637 /nfs/dbraw/zinc/71/36/37/1019713637.db2.gz WZMBCPZMJOAONT-UHFFFAOYSA-N -1 0 317.261 -0.249 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001610662335 1019716111 /nfs/dbraw/zinc/71/61/11/1019716111.db2.gz RGZCIIFKJDZIJW-DTIDVZRVSA-N -1 0 306.318 -0.083 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CN1CCOCC1=O)Cc1ccncc1 ZINC001610663550 1019716151 /nfs/dbraw/zinc/71/61/51/1019716151.db2.gz WYBFEYCUCJVGBC-LBPRGKRZSA-N -1 0 321.333 -0.700 20 0 DBADRM O=C([O-])C1(NC(=O)c2ccncc2F)CCS(=O)(=O)CC1 ZINC001610683526 1019716792 /nfs/dbraw/zinc/71/67/92/1019716792.db2.gz SMASOQGDJBZJCQ-UHFFFAOYSA-N -1 0 316.310 -0.018 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NC(C2CC2)C2CC2)C1 ZINC001610681510 1019717615 /nfs/dbraw/zinc/71/76/15/1019717615.db2.gz MULSMXLAVYYNDW-QWRGUYRKSA-N -1 0 310.350 -0.415 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CNC(=O)c1cc(Cl)ccn1 ZINC001610665007 1019718336 /nfs/dbraw/zinc/71/83/36/1019718336.db2.gz QXYFFCZOIFMOOA-MRVPVSSYSA-N -1 0 301.686 -0.974 20 0 DBADRM O=C([O-])c1cn(CC(=O)O[C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)nn1 ZINC001610677739 1019718559 /nfs/dbraw/zinc/71/85/59/1019718559.db2.gz IIGKOLOVNVGRDY-ATZCPNFKSA-N -1 0 322.321 -0.033 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(C(=O)C(=O)NCCn1ccnc1)CC2 ZINC001610695802 1019719427 /nfs/dbraw/zinc/71/94/27/1019719427.db2.gz QTDHKYBBMPGORI-LLVKDONJSA-N -1 0 320.349 -0.287 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)CNC(=O)c1ccc(F)cc1 ZINC001610687551 1019719604 /nfs/dbraw/zinc/71/96/04/1019719604.db2.gz SZOFIFOMWNVAPD-DGCLKSJQSA-N -1 0 324.308 -0.008 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCC2(C3CC3)CC2)C1 ZINC001610691648 1019720238 /nfs/dbraw/zinc/72/02/38/1019720238.db2.gz WMLWPSFPZQCFMD-MWLCHTKSSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C(=O)Nc2ccc(F)nc2)nn1 ZINC001610695273 1019720773 /nfs/dbraw/zinc/72/07/73/1019720773.db2.gz CFVPKPOIMBPANJ-UHFFFAOYSA-N -1 0 322.256 -0.735 20 0 DBADRM O=C(NCCCO[C@@H]1CCOC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001610692611 1019720857 /nfs/dbraw/zinc/72/08/57/1019720857.db2.gz RNFKVZNJGRQAGY-OUAUKWLOSA-N -1 0 314.338 -0.722 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC001610724121 1019722090 /nfs/dbraw/zinc/72/20/90/1019722090.db2.gz QIPUNLNHXFJUSR-LLVKDONJSA-N -1 0 300.336 -0.072 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)C(=O)NCc2ccccn2)C1 ZINC001610698200 1019722137 /nfs/dbraw/zinc/72/21/37/1019722137.db2.gz OYOOSQSXHIXJNN-SNVBAGLBSA-N -1 0 323.374 -0.026 20 0 DBADRM O=C([O-])C1(NC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 ZINC001610710271 1019722675 /nfs/dbraw/zinc/72/26/75/1019722675.db2.gz CPRRAWSADKGWTP-JTQLQIEISA-N -1 0 322.321 -0.266 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NCc2ccccc2F)C1 ZINC001610697896 1019723260 /nfs/dbraw/zinc/72/32/60/1019723260.db2.gz FTZYAYLEQCFOOA-QWRGUYRKSA-N -1 0 324.308 -0.264 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC001610737384 1019724853 /nfs/dbraw/zinc/72/48/53/1019724853.db2.gz KQLRYFKOJVUHTI-FXPVBKGRSA-N -1 0 311.338 -0.773 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)COCC(F)F)c1[O-] ZINC001575784523 1019725066 /nfs/dbraw/zinc/72/50/66/1019725066.db2.gz ZMJSNVVJGBHSGZ-UHFFFAOYSA-N -1 0 320.296 -0.058 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)N2Cc3ccccc3C2)C1 ZINC001610736300 1019725600 /nfs/dbraw/zinc/72/56/00/1019725600.db2.gz VFFADJNSYXYXSO-STQMWFEESA-N -1 0 318.329 -0.177 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(C(=O)CN1CCCC1=O)CC2 ZINC001610731909 1019725618 /nfs/dbraw/zinc/72/56/18/1019725618.db2.gz NZALMZROVCYDKR-UHFFFAOYSA-N -1 0 309.322 -0.169 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)NCc2nc(C3CC3)no2)C1 ZINC001610737708 1019725755 /nfs/dbraw/zinc/72/57/55/1019725755.db2.gz LGYLHZLXLHHAFL-DTWKUNHWSA-N -1 0 310.310 -0.076 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H](CO)[C@H]2CCOC2)CCC1 ZINC001610727311 1019726456 /nfs/dbraw/zinc/72/64/56/1019726456.db2.gz FQFSRDUBUKAXNF-QWRGUYRKSA-N -1 0 321.395 -0.194 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CCC[C@@H](N3CCCC3=O)C2)C1 ZINC001610735061 1019726517 /nfs/dbraw/zinc/72/65/17/1019726517.db2.gz MVGDUOUIAGKQEG-NWDGAFQWSA-N -1 0 309.366 -0.036 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(S(=O)(=O)CCC2CCOCC2)C1 ZINC001610738525 1019728350 /nfs/dbraw/zinc/72/83/50/1019728350.db2.gz XSJNLPGLBSOWBP-NWDGAFQWSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC[C@@H](O)CN2CCCC2=O)C1 ZINC001610739978 1019728772 /nfs/dbraw/zinc/72/87/72/1019728772.db2.gz CHZOOALQRWQHHX-IJLUTSLNSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCc2nc(C3CC3)no2)C1 ZINC001610737710 1019729171 /nfs/dbraw/zinc/72/91/71/1019729171.db2.gz LGYLHZLXLHHAFL-RKDXNWHRSA-N -1 0 310.310 -0.076 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)CC1 ZINC001610744829 1019729691 /nfs/dbraw/zinc/72/96/91/1019729691.db2.gz ALDAVLRBWUFSGA-GXSJLCMTSA-N -1 0 304.368 -0.446 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCc2ncncc2C1 ZINC001610759816 1019731225 /nfs/dbraw/zinc/73/12/25/1019731225.db2.gz KGFJXMFSYFBJGU-CABZTGNLSA-N -1 0 318.333 -0.617 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cc1ccc2c(c1)CCO2 ZINC001610759956 1019731430 /nfs/dbraw/zinc/73/14/30/1019731430.db2.gz PXQLIHQZCBAMNT-LBPRGKRZSA-N -1 0 318.329 -0.034 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cc1ccc2c(c1)CCO2 ZINC001610759955 1019731934 /nfs/dbraw/zinc/73/19/34/1019731934.db2.gz PXQLIHQZCBAMNT-GFCCVEGCSA-N -1 0 318.329 -0.034 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)C2CCS(=O)(=O)CC2)CCCOC1 ZINC001610755878 1019732205 /nfs/dbraw/zinc/73/22/05/1019732205.db2.gz XHXRCWCWXWSWSN-CYBMUJFWSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1cc2c(cc1O)OCO2 ZINC001610774042 1019732888 /nfs/dbraw/zinc/73/28/88/1019732888.db2.gz QKCOARPGYMOPDZ-UHFFFAOYSA-N -1 0 311.246 -0.131 20 0 DBADRM O=C([O-])CCCNC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001610769812 1019733227 /nfs/dbraw/zinc/73/32/27/1019733227.db2.gz IPZKXEKTQGGFBU-UHFFFAOYSA-N -1 0 306.322 -0.388 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001610765135 1019733861 /nfs/dbraw/zinc/73/38/61/1019733861.db2.gz IHAIOBIUQINGBS-RQJHMYQMSA-N -1 0 301.324 -0.997 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)N[C@H]2CCSC2)CCO1 ZINC001610763677 1019734474 /nfs/dbraw/zinc/73/44/74/1019734474.db2.gz YJQLPTPPEYIXMB-IUCAKERBSA-N -1 0 302.352 -0.690 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC001610769595 1019734548 /nfs/dbraw/zinc/73/45/48/1019734548.db2.gz MLKJHALRFAQKNI-LBPRGKRZSA-N -1 0 320.349 -0.465 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)CCNC(=O)Cc1ccccc1 ZINC001610782380 1019735964 /nfs/dbraw/zinc/73/59/64/1019735964.db2.gz ZXJQUSXZCIOTLG-UHFFFAOYSA-N -1 0 321.333 -0.948 20 0 DBADRM O=C([O-])COCC(=O)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC001610784994 1019736516 /nfs/dbraw/zinc/73/65/16/1019736516.db2.gz HCGMQFZDHJUVPH-SECBINFHSA-N -1 0 302.352 -0.389 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)CN1CC(F)(F)CC1=O ZINC001610779921 1019737280 /nfs/dbraw/zinc/73/72/80/1019737280.db2.gz KWDUUYNMQIHPKN-UHFFFAOYSA-N -1 0 321.324 -0.470 20 0 DBADRM O=C([O-])CNC(=O)C[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC001610781885 1019737708 /nfs/dbraw/zinc/73/77/08/1019737708.db2.gz QNWIQJPCUDMCNM-OAHLLOKOSA-N -1 0 303.318 -0.217 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N[C@H]2CCOC2)c1 ZINC001610789003 1019737970 /nfs/dbraw/zinc/73/79/70/1019737970.db2.gz OLPWNDADYFDLRT-JTQLQIEISA-N -1 0 308.290 -0.006 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC001610782372 1019738136 /nfs/dbraw/zinc/73/81/36/1019738136.db2.gz ZBVKRACRMMYLJX-SNVBAGLBSA-N -1 0 306.274 -0.915 20 0 DBADRM O=C([O-])Cc1occc1C(=O)NCCCN1CCNC(=O)C1 ZINC001610798102 1019740405 /nfs/dbraw/zinc/74/04/05/1019740405.db2.gz FPFMBXRNOQHPCS-UHFFFAOYSA-N -1 0 309.322 -0.542 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)Cn3cncn3)C2)nn1 ZINC001610856762 1019741262 /nfs/dbraw/zinc/74/12/62/1019741262.db2.gz UFCONUXFPXXTDZ-SECBINFHSA-N -1 0 305.298 -0.569 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(S(=O)(=O)CC3CC3)C2)nn1 ZINC001610857804 1019741527 /nfs/dbraw/zinc/74/15/27/1019741527.db2.gz MZGBNMMCOVRYDQ-SECBINFHSA-N -1 0 300.340 -0.037 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)CCn3cncn3)C2)nn1 ZINC001610857578 1019741703 /nfs/dbraw/zinc/74/17/03/1019741703.db2.gz YGGCEBNGQHXCEI-SECBINFHSA-N -1 0 305.298 -0.569 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)Cn3cncn3)C2)nn1 ZINC001610856764 1019742521 /nfs/dbraw/zinc/74/25/21/1019742521.db2.gz UFCONUXFPXXTDZ-VIFPVBQESA-N -1 0 305.298 -0.569 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N[C@H](CO)CN2CCOCC2)c1 ZINC001610857049 1019742967 /nfs/dbraw/zinc/74/29/67/1019742967.db2.gz YKSYEVUFGQOZPC-NSHDSACASA-N -1 0 309.322 -0.797 20 0 DBADRM O=C([O-])c1ccc(N2CCO[C@@]3(CCS(=O)(=O)C3)C2)nn1 ZINC001610834490 1019743570 /nfs/dbraw/zinc/74/35/70/1019743570.db2.gz WKLNFZNKZOZPJD-LBPRGKRZSA-N -1 0 313.335 -0.431 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(C(=O)[C@H]1CCCC(=O)N1)CC2 ZINC001610882698 1019743943 /nfs/dbraw/zinc/74/39/43/1019743943.db2.gz PAVVPSPYKJCCSQ-SECBINFHSA-N -1 0 309.322 -0.123 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)nn1 ZINC001610860795 1019746364 /nfs/dbraw/zinc/74/63/64/1019746364.db2.gz UTORYIFTGICVBR-APPZFPTMSA-N -1 0 322.243 -0.110 20 0 DBADRM O=C([O-])c1cn(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)nn1 ZINC001610860478 1019746781 /nfs/dbraw/zinc/74/67/81/1019746781.db2.gz VCILUYWABBPDDV-LLVKDONJSA-N -1 0 323.353 -0.495 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2ccnc3[nH]cnc32)nn1 ZINC001610860590 1019747555 /nfs/dbraw/zinc/74/75/55/1019747555.db2.gz YARNBZQKDXTLBK-UHFFFAOYSA-N -1 0 301.266 -0.322 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NCCOCCCO ZINC001610872301 1019747645 /nfs/dbraw/zinc/74/76/45/1019747645.db2.gz DSKGDEJVIUBIJV-UHFFFAOYSA-N -1 0 310.353 -0.481 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)C1CC1 ZINC001610887261 1019749719 /nfs/dbraw/zinc/74/97/19/1019749719.db2.gz QUWRXDXAPCFWSX-CYBMUJFWSA-N -1 0 318.333 -0.389 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001610886929 1019749741 /nfs/dbraw/zinc/74/97/41/1019749741.db2.gz LQPNSNVHQQKRLV-RKDXNWHRSA-N -1 0 321.289 -0.680 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001610887504 1019749862 /nfs/dbraw/zinc/74/98/62/1019749862.db2.gz WOWNHQITGARNLS-VIFPVBQESA-N -1 0 309.253 -0.479 20 0 DBADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC001610887702 1019750406 /nfs/dbraw/zinc/75/04/06/1019750406.db2.gz WPOVHENEAMLXSD-OPRDCNLKSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001610887502 1019750836 /nfs/dbraw/zinc/75/08/36/1019750836.db2.gz WOWNHQITGARNLS-SECBINFHSA-N -1 0 309.253 -0.479 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 ZINC001610920456 1019750950 /nfs/dbraw/zinc/75/09/50/1019750950.db2.gz GQDNHQXRKPFJLQ-SNVBAGLBSA-N -1 0 323.353 -0.952 20 0 DBADRM O=C(CN1CCCCC(=O)C1=O)NCCCc1n[nH]c(=O)[n-]1 ZINC001610956554 1019753076 /nfs/dbraw/zinc/75/30/76/1019753076.db2.gz DSHOASOUKDBWSC-UHFFFAOYSA-N -1 0 309.326 -0.859 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCC(=O)[O-])[C@H](C(=O)OC)C1 ZINC001610968778 1019753288 /nfs/dbraw/zinc/75/32/88/1019753288.db2.gz NCCZUHUQTJOXOK-BDAKNGLRSA-N -1 0 301.295 -0.196 20 0 DBADRM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCS(=O)(=O)CC(=O)[O-] ZINC001610965230 1019754057 /nfs/dbraw/zinc/75/40/57/1019754057.db2.gz STYHQBFCFTUBDX-NHCYSSNCSA-N -1 0 319.379 -0.241 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)N(C)CCC(=O)[O-])cc1 ZINC001610960172 1019754134 /nfs/dbraw/zinc/75/41/34/1019754134.db2.gz GDAJJPWDPDKBIM-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM COc1cc(C(N)=O)ccc1NC(=O)C(=O)N(C)CCC(=O)[O-] ZINC001611029280 1019755085 /nfs/dbraw/zinc/75/50/85/1019755085.db2.gz ZVYUEBGNKXAKPI-UHFFFAOYSA-N -1 0 323.305 -0.334 20 0 DBADRM Cc1cnc(Cl)c(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001611215828 1019757487 /nfs/dbraw/zinc/75/74/87/1019757487.db2.gz SIVPLMYLOZTXJC-GFCCVEGCSA-N -1 0 315.713 -0.066 20 0 DBADRM Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NCC(=O)[O-] ZINC001611183227 1019757856 /nfs/dbraw/zinc/75/78/56/1019757856.db2.gz YKRORAJITZGGQQ-UHFFFAOYSA-N -1 0 320.305 -0.336 20 0 DBADRM Cc1cc(NC(=O)NC[C@](C)(O)C(=O)[O-])ccc1-n1cnnn1 ZINC001611153766 1019758443 /nfs/dbraw/zinc/75/84/43/1019758443.db2.gz PCUKNNTWAPRSEH-ZDUSSCGKSA-N -1 0 320.309 -0.072 20 0 DBADRM Cc1cc(CN2CCN(C(=O)C(=O)NCCC(=O)[O-])CC2)on1 ZINC001611140405 1019758674 /nfs/dbraw/zinc/75/86/74/1019758674.db2.gz LPMRBEKMFPZKFQ-UHFFFAOYSA-N -1 0 324.337 -0.782 20 0 DBADRM Cc1cnn(CCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC001611221889 1019758926 /nfs/dbraw/zinc/75/89/26/1019758926.db2.gz WDFOZASZMCPZSH-JTQLQIEISA-N -1 0 315.351 -0.708 20 0 DBADRM Cc1nc(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cs1 ZINC001611232668 1019759489 /nfs/dbraw/zinc/75/94/89/1019759489.db2.gz XBZVXDMDFWTOOS-SECBINFHSA-N -1 0 318.376 -0.296 20 0 DBADRM Cc1c(C(=O)NC[C@@](C)(O)C(=O)[O-])cccc1S(N)(=O)=O ZINC001611118703 1019759764 /nfs/dbraw/zinc/75/97/64/1019759764.db2.gz VGMHHDCVASTIFJ-GFCCVEGCSA-N -1 0 316.335 -0.792 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCOc2cccnc2)C1 ZINC001611338598 1019761870 /nfs/dbraw/zinc/76/18/70/1019761870.db2.gz ZEPMBWHVYZRNRO-SNVBAGLBSA-N -1 0 307.306 -0.490 20 0 DBADRM Cn1ccnc1C[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC001611283056 1019762302 /nfs/dbraw/zinc/76/23/02/1019762302.db2.gz YANASHMLWFBOKE-NSHDSACASA-N -1 0 322.365 -0.208 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001611401548 1019762811 /nfs/dbraw/zinc/76/28/11/1019762811.db2.gz IKIKMTLYZCNFOS-SNVBAGLBSA-N -1 0 319.321 -0.396 20 0 DBADRM O=C([O-])CCC(=O)NCC1(N2CCOCC2)CCOCC1 ZINC001611416577 1019763388 /nfs/dbraw/zinc/76/33/88/1019763388.db2.gz MOFSSUNBJUAKHE-UHFFFAOYSA-N -1 0 300.355 -0.151 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC(C3CCOCC3)C2)C1 ZINC001611369675 1019764038 /nfs/dbraw/zinc/76/40/38/1019764038.db2.gz MFFYOWPIXTUAMU-LLVKDONJSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)COCC1CCCC1 ZINC001611402003 1019764209 /nfs/dbraw/zinc/76/42/09/1019764209.db2.gz WKUDGAPUTMZECM-NSHDSACASA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)N1CCCCC1 ZINC001611402036 1019764359 /nfs/dbraw/zinc/76/43/59/1019764359.db2.gz XSBDWIZJVSGQQZ-JTQLQIEISA-N -1 0 304.368 -0.818 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@@]3(CCOC3)C2)CC1 ZINC001611369662 1019765017 /nfs/dbraw/zinc/76/50/17/1019765017.db2.gz INSRFGGJISNFTR-OAHLLOKOSA-N -1 0 310.350 -0.051 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCN(Cc3cccnc3)CC2)C1 ZINC001611362024 1019765050 /nfs/dbraw/zinc/76/50/50/1019765050.db2.gz MDZKBWUHOAXEMG-CYBMUJFWSA-N -1 0 318.333 -0.045 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC001611471025 1019765872 /nfs/dbraw/zinc/76/58/72/1019765872.db2.gz GXUABJUEOPSMAD-UHFFFAOYSA-N -1 0 307.354 -0.390 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC2(CCC2)S(=O)(=O)CC1 ZINC001611471069 1019766566 /nfs/dbraw/zinc/76/65/66/1019766566.db2.gz QLKRWTJEJLXIPD-UHFFFAOYSA-N -1 0 304.368 -0.770 20 0 DBADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)C1 ZINC001611426123 1019766805 /nfs/dbraw/zinc/76/68/05/1019766805.db2.gz WDSTZOSKBMAKKD-OZVIIMIRSA-N -1 0 324.377 -0.069 20 0 DBADRM O=C([O-])CCc1cccc(NC(=O)NC(CO)(CO)CO)c1 ZINC001611459525 1019767496 /nfs/dbraw/zinc/76/74/96/1019767496.db2.gz JZSKTMTZSNGYDY-UHFFFAOYSA-N -1 0 312.322 -0.459 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCO[C@H](c3ncon3)C2)cn1 ZINC001611565411 1019769923 /nfs/dbraw/zinc/76/99/23/1019769923.db2.gz LBLLSOANLHCJHN-VIFPVBQESA-N -1 0 305.250 -0.229 20 0 DBADRM CC1CC(CNC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001575971250 1019777967 /nfs/dbraw/zinc/77/79/67/1019777967.db2.gz WDPWRQLXWHAOHS-UHFFFAOYSA-N -1 0 319.325 -0.709 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC001616311007 1019778142 /nfs/dbraw/zinc/77/81/42/1019778142.db2.gz IADYVVRCIGBFJU-UHFFFAOYSA-N -1 0 312.326 -0.965 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001616679363 1019780001 /nfs/dbraw/zinc/78/00/01/1019780001.db2.gz XFLYDCVZALASTP-QWRGUYRKSA-N -1 0 315.370 -0.523 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001616679362 1019781271 /nfs/dbraw/zinc/78/12/71/1019781271.db2.gz XFLYDCVZALASTP-MNOVXSKESA-N -1 0 315.370 -0.523 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)NCCc1n[n-]c(=S)o1 ZINC001617079373 1019782389 /nfs/dbraw/zinc/78/23/89/1019782389.db2.gz GFUDQGRFYGOZDX-LURJTMIESA-N -1 0 319.412 -0.193 20 0 DBADRM C[C@H](C(=O)N1C[C@H](C)C[C@H](CO)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001575976164 1019782696 /nfs/dbraw/zinc/78/26/96/1019782696.db2.gz IHJQSPYKIILKKA-BBBLOLIVSA-N -1 0 320.357 -0.504 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCN1C(=O)CCCC1=O ZINC001618289809 1019793029 /nfs/dbraw/zinc/79/30/29/1019793029.db2.gz WOVWOTONIGMGJZ-UHFFFAOYSA-N -1 0 313.339 -0.742 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC001618148747 1019794051 /nfs/dbraw/zinc/79/40/51/1019794051.db2.gz TZIFQVDGHAOJEV-LLVKDONJSA-N -1 0 319.317 -0.701 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001576085703 1019807006 /nfs/dbraw/zinc/80/70/06/1019807006.db2.gz OPRIMBQWPMPMKU-BDAKNGLRSA-N -1 0 314.353 -0.205 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001576085708 1019807724 /nfs/dbraw/zinc/80/77/24/1019807724.db2.gz OPRIMBQWPMPMKU-RKDXNWHRSA-N -1 0 314.353 -0.205 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576085468 1019807988 /nfs/dbraw/zinc/80/79/88/1019807988.db2.gz NVANSBDBUKHMSM-ZYUZMQFOSA-N -1 0 314.353 -0.206 20 0 DBADRM C[C@H]1C[C@H]1CNC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576097683 1019810787 /nfs/dbraw/zinc/81/07/87/1019810787.db2.gz QJZBPSMEOVJWNL-YUMQZZPRSA-N -1 0 319.325 -0.709 20 0 DBADRM C[C@H]1CC[C@H](CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)O1 ZINC001576113030 1019812529 /nfs/dbraw/zinc/81/25/29/1019812529.db2.gz BTPWYKRBWDPWAH-DTWKUNHWSA-N -1 0 321.345 -0.675 20 0 DBADRM C[C@H]1CN(C(=O)C2CC2)C[C@@H]1Nc1ccnc(-c2nnn[n-]2)n1 ZINC001576231749 1019826778 /nfs/dbraw/zinc/82/67/78/1019826778.db2.gz IEEIWFJKRRJABL-WPRPVWTQSA-N -1 0 314.353 -0.253 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)Nc2c[nH]nc2-c2nnn[n-]2)C1 ZINC001576411392 1019846546 /nfs/dbraw/zinc/84/65/46/1019846546.db2.gz LEPVIBIWOMJXDI-SSDOTTSWSA-N -1 0 304.314 -0.213 20 0 DBADRM CCC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001576420718 1019848915 /nfs/dbraw/zinc/84/89/15/1019848915.db2.gz CJSIWUYZOBLAEX-VIFPVBQESA-N -1 0 318.341 -0.294 20 0 DBADRM CC[C@@H](C[C@H](C)O)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001576704051 1019879354 /nfs/dbraw/zinc/87/93/54/1019879354.db2.gz CUUNSBHNWFCLMJ-IUCAKERBSA-N -1 0 323.361 -0.693 20 0 DBADRM CC[C@H](C[C@H](C)O)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001576706234 1019879599 /nfs/dbraw/zinc/87/95/99/1019879599.db2.gz RPMDNRDFAINCKI-NKWVEPMBSA-N -1 0 309.330 -0.373 20 0 DBADRM CC[C@@H](F)C(=O)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576938449 1019956983 /nfs/dbraw/zinc/95/69/83/1019956983.db2.gz ZRYKUXMTUCZYKB-DTWKUNHWSA-N -1 0 320.332 -0.161 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576968994 1019968808 /nfs/dbraw/zinc/96/88/08/1019968808.db2.gz JHINRXUITGXPAG-IWSPIJDZSA-N -1 0 320.332 -0.114 20 0 DBADRM CC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C(C)(C)O ZINC001576999865 1019977818 /nfs/dbraw/zinc/97/78/18/1019977818.db2.gz XLBJQQKCBKFMBR-LURJTMIESA-N -1 0 309.330 -0.373 20 0 DBADRM CC[C@H](OC)C(=O)NC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001577017406 1019983565 /nfs/dbraw/zinc/98/35/65/1019983565.db2.gz CHJVHTKSLALVTO-IUCAKERBSA-N -1 0 320.357 -0.580 20 0 DBADRM CC[C@H](OC)C(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001577029386 1019986827 /nfs/dbraw/zinc/98/68/27/1019986827.db2.gz RUCNBQJPMCLATD-IUCAKERBSA-N -1 0 320.357 -0.580 20 0 DBADRM CCCC[C@H](O)CCC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001577491579 1020070237 /nfs/dbraw/zinc/07/02/37/1020070237.db2.gz RVBMOONHVYXDPN-JTQLQIEISA-N -1 0 322.373 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3cn[nH]n3)C2)c1[O-] ZINC001577519188 1020074092 /nfs/dbraw/zinc/07/40/92/1020074092.db2.gz UIXUKDHQUZMBPM-SECBINFHSA-N -1 0 305.342 -0.064 20 0 DBADRM CCC[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC001577697202 1020107111 /nfs/dbraw/zinc/10/71/11/1020107111.db2.gz QBLVPARUXQGHHE-HTQZYQBOSA-N -1 0 322.329 -0.523 20 0 DBADRM CCC[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC001577697203 1020107940 /nfs/dbraw/zinc/10/79/40/1020107940.db2.gz QBLVPARUXQGHHE-JGVFFNPUSA-N -1 0 322.329 -0.523 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2nccs2)c1[O-] ZINC001507186831 1020147805 /nfs/dbraw/zinc/14/78/05/1020147805.db2.gz AGYUBYDAXUAKAZ-QMMMGPOBSA-N -1 0 311.367 -0.239 20 0 DBADRM CCN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)CCOC ZINC001578131387 1020193705 /nfs/dbraw/zinc/19/37/05/1020193705.db2.gz KMRDUOAWBFKMCG-UHFFFAOYSA-N -1 0 320.357 -0.625 20 0 DBADRM CCOC(=O)c1cc(Cn2cncc(-c3nnn[n-]3)c2=O)on1 ZINC001578252310 1020207026 /nfs/dbraw/zinc/20/70/26/1020207026.db2.gz UHZJMSAIPBYANI-UHFFFAOYSA-N -1 0 317.265 -0.364 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001578243592 1020207190 /nfs/dbraw/zinc/20/71/90/1020207190.db2.gz ZTJKEEJEYFSQNV-SSDOTTSWSA-N -1 0 320.309 -0.043 20 0 DBADRM CCOCC(=O)N(CC)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001578342976 1020214648 /nfs/dbraw/zinc/21/46/48/1020214648.db2.gz JLIJUEVXIUVTPM-UHFFFAOYSA-N -1 0 320.357 -0.625 20 0 DBADRM CCOCC(=O)NCC[C@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001578362203 1020222312 /nfs/dbraw/zinc/22/23/12/1020222312.db2.gz CHZOJBLTXYAGBM-VIFPVBQESA-N -1 0 320.357 0.000 20 0 DBADRM CCOCCC(=O)NC[C@@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001578373477 1020223976 /nfs/dbraw/zinc/22/39/76/1020223976.db2.gz CSQBPSDYXDPBQQ-SECBINFHSA-N -1 0 320.357 0.000 20 0 DBADRM C/C=C(/C)C(=O)N[C@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001578481308 1020248267 /nfs/dbraw/zinc/24/82/67/1020248267.db2.gz FKGSYLSYNBACOC-OWLUNTSSSA-N -1 0 320.349 -0.171 20 0 DBADRM CC/C(C)=C\C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001578556602 1020268555 /nfs/dbraw/zinc/26/85/55/1020268555.db2.gz AXHLVAKUTNENJN-OWLUNTSSSA-N -1 0 323.353 -0.191 20 0 DBADRM CCc1nnc(Sc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)o1 ZINC001578706069 1020285464 /nfs/dbraw/zinc/28/54/64/1020285464.db2.gz OYMVNZWTRQJNSL-UHFFFAOYSA-N -1 0 322.310 -0.650 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccncc2F)c1=O ZINC001578736488 1020287253 /nfs/dbraw/zinc/28/72/53/1020287253.db2.gz GKLHFXUGBALWPE-UHFFFAOYSA-N -1 0 317.284 -0.208 20 0 DBADRM CCn1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1=O ZINC001578775809 1020294361 /nfs/dbraw/zinc/29/43/61/1020294361.db2.gz ZOBXJPVHHMESMG-UHFFFAOYSA-N -1 0 315.297 -0.722 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1nc(-c2nn[nH]n2)cs1 ZINC001578838002 1020313667 /nfs/dbraw/zinc/31/36/67/1020313667.db2.gz DPCNGHVOQAYPJO-UHFFFAOYSA-N -1 0 321.330 -0.927 20 0 DBADRM CN(C(=O)COc1ccccc1-c1nn[nH]n1)[C@@H]1COC[C@H]1O ZINC001578879774 1020321859 /nfs/dbraw/zinc/32/18/59/1020321859.db2.gz QQVZMSXPANKOES-GHMZBOCLSA-N -1 0 319.321 -0.536 20 0 DBADRM CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H](CO)CC(C)(C)C ZINC001578886831 1020323332 /nfs/dbraw/zinc/32/33/32/1020323332.db2.gz JIFXOCLSRPAARE-SECBINFHSA-N -1 0 322.373 -0.286 20 0 DBADRM CN(C(=O)[C@@H]1CSCC(=O)N1)c1cc(-c2nn[nH]n2)ccn1 ZINC001578890013 1020326277 /nfs/dbraw/zinc/32/62/77/1020326277.db2.gz BNOQMDDXUDWBAL-QMMMGPOBSA-N -1 0 319.350 -0.544 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)c1cccc(-c2nn[nH]n2)c1 ZINC001578952380 1020334377 /nfs/dbraw/zinc/33/43/77/1020334377.db2.gz VNTMZFUFNPXBAS-UHFFFAOYSA-N -1 0 314.265 -0.261 20 0 DBADRM CN(CCNC(=O)c1ccc[nH]1)c1nccnc1-c1nn[nH]n1 ZINC001579198056 1020389208 /nfs/dbraw/zinc/38/92/08/1020389208.db2.gz KNAIYKTYHUCBKH-UHFFFAOYSA-N -1 0 313.325 -0.149 20 0 DBADRM CN(CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)C(F)F ZINC001579196484 1020389554 /nfs/dbraw/zinc/38/95/54/1020389554.db2.gz ZYEWEJPXRSDTDX-UHFFFAOYSA-N -1 0 313.268 -0.352 20 0 DBADRM CN(CCNC(=O)c1cnco1)c1cnc(-c2nn[nH]n2)cn1 ZINC001579201725 1020390775 /nfs/dbraw/zinc/39/07/75/1020390775.db2.gz YLOUNNWGCUPGAM-UHFFFAOYSA-N -1 0 315.297 -0.489 20 0 DBADRM CN(CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)Cc1cnon1 ZINC001579192242 1020391023 /nfs/dbraw/zinc/39/10/23/1020391023.db2.gz SQNYXKIHBJEUKO-UHFFFAOYSA-N -1 0 317.313 -0.560 20 0 DBADRM CN(CCNC(=O)c1ccn[nH]1)c1ccc(-c2nn[nH]n2)nc1 ZINC001579196274 1020391225 /nfs/dbraw/zinc/39/12/25/1020391225.db2.gz RMGWQRXLDUCNCG-UHFFFAOYSA-N -1 0 313.325 -0.149 20 0 DBADRM COC(=O)[C@H](C)CNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579432337 1020452272 /nfs/dbraw/zinc/45/22/72/1020452272.db2.gz QUEPKJXNVVBFCK-SSDOTTSWSA-N -1 0 320.309 -0.185 20 0 DBADRM COC(=O)[C@@H]1CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001579443684 1020460959 /nfs/dbraw/zinc/46/09/59/1020460959.db2.gz SMVIXKXBSAXZCW-LURJTMIESA-N -1 0 313.295 -0.604 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579465926 1020463576 /nfs/dbraw/zinc/46/35/76/1020463576.db2.gz QIWWXSFMQYZJAW-ZETCQYMHSA-N -1 0 324.272 -0.483 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)c1cnco1 ZINC001507676205 1020469673 /nfs/dbraw/zinc/46/96/73/1020469673.db2.gz XTNDSQMMBIFHQH-MRVPVSSYSA-N -1 0 310.314 -0.937 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)[C@H]1CC12CCC2 ZINC001507704695 1020474491 /nfs/dbraw/zinc/47/44/91/1020474491.db2.gz CFZJWONSQUUMNS-GHMZBOCLSA-N -1 0 323.397 -0.048 20 0 DBADRM COC(=O)c1cnn(CC(=O)Nc2c[nH]nc2-c2nnn[n-]2)c1 ZINC001579491797 1020477567 /nfs/dbraw/zinc/47/75/67/1020477567.db2.gz SFCDYSVCWOHRQR-UHFFFAOYSA-N -1 0 317.269 -0.788 20 0 DBADRM CO[C@H](C)C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[nH]n1 ZINC001579543512 1020484321 /nfs/dbraw/zinc/48/43/21/1020484321.db2.gz ASIGDDNSNGZEIV-DTWKUNHWSA-N -1 0 320.357 -0.144 20 0 DBADRM CO[C@H](C)C(=O)N[C@H](C)CN(C)c1cncc(-c2nn[nH]n2)n1 ZINC001579539344 1020485469 /nfs/dbraw/zinc/48/54/69/1020485469.db2.gz IDJNFRXQEBCGEB-RKDXNWHRSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001579543561 1020486081 /nfs/dbraw/zinc/48/60/81/1020486081.db2.gz BCSYRLHXXJQUNO-IUCAKERBSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[nH]n1 ZINC001579540487 1020486423 /nfs/dbraw/zinc/48/64/23/1020486423.db2.gz RGWDRHRCYXAQDA-BDAKNGLRSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579540212 1020486456 /nfs/dbraw/zinc/48/64/56/1020486456.db2.gz PDJFNSUTHZXRNU-JGVFFNPUSA-N -1 0 321.341 -0.536 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579540857 1020486685 /nfs/dbraw/zinc/48/66/85/1020486685.db2.gz WJMRAXJUMWEZMK-SFYZADRCSA-N -1 0 321.341 -0.536 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[nH]n1 ZINC001579543513 1020486942 /nfs/dbraw/zinc/48/69/42/1020486942.db2.gz ASIGDDNSNGZEIV-IUCAKERBSA-N -1 0 320.357 -0.144 20 0 DBADRM CO[C@H](C)C(=O)N1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001579540477 1020487266 /nfs/dbraw/zinc/48/72/66/1020487266.db2.gz QYHPIMSXVADXGD-SECBINFHSA-N -1 0 318.341 -0.660 20 0 DBADRM CO[C@H](C)CC(=O)NCCN(C)c1cncc(-c2nn[nH]n2)n1 ZINC001579566098 1020495432 /nfs/dbraw/zinc/49/54/32/1020495432.db2.gz DLIADDZPGQKUCG-SECBINFHSA-N -1 0 320.357 -0.366 20 0 DBADRM CO[C@@H](C)CC(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001579551547 1020495726 /nfs/dbraw/zinc/49/57/26/1020495726.db2.gz CBKNVPVTEUMBHN-VIFPVBQESA-N -1 0 320.357 -0.626 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001579562916 1020496280 /nfs/dbraw/zinc/49/62/80/1020496280.db2.gz ZBZBNIKRTLHHOM-BDAKNGLRSA-N -1 0 320.357 -0.002 20 0 DBADRM COCC(=O)N(C)CCCNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001579623118 1020508582 /nfs/dbraw/zinc/50/85/82/1020508582.db2.gz DSIHWQGQNAPOBB-UHFFFAOYSA-N -1 0 320.357 -0.128 20 0 DBADRM COCC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579629254 1020509460 /nfs/dbraw/zinc/50/94/60/1020509460.db2.gz ZPGNCCGVRNEKPN-SECBINFHSA-N -1 0 318.341 -0.660 20 0 DBADRM COCC(=O)NC[C@H](Nc1ccnc(-c2nnn[n-]2)n1)C1CC1 ZINC001579637273 1020521281 /nfs/dbraw/zinc/52/12/81/1020521281.db2.gz LIBOJMBZZCMCTL-VIFPVBQESA-N -1 0 318.341 -0.968 20 0 DBADRM COCC(=O)N[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001579641872 1020528895 /nfs/dbraw/zinc/52/88/95/1020528895.db2.gz AWCRQAGXXZNTLN-RKDXNWHRSA-N -1 0 318.341 -0.756 20 0 DBADRM COC[C@H](C)C(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001579676650 1020531233 /nfs/dbraw/zinc/53/12/33/1020531233.db2.gz VZQOKRPHQHEXRG-VIFPVBQESA-N -1 0 320.357 -0.508 20 0 DBADRM COC[C@H](C)C(=O)NC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001579670834 1020532982 /nfs/dbraw/zinc/53/29/82/1020532982.db2.gz URPUHLPMZAKISD-IUCAKERBSA-N -1 0 320.357 -0.722 20 0 DBADRM COC[C@H](C)C(=O)NC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001579670833 1020533218 /nfs/dbraw/zinc/53/32/18/1020533218.db2.gz URPUHLPMZAKISD-DTWKUNHWSA-N -1 0 320.357 -0.722 20 0 DBADRM COC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)oc1C)c1nnn[n-]1 ZINC001579697794 1020536274 /nfs/dbraw/zinc/53/62/74/1020536274.db2.gz QZJWOQGBMCZSKF-SSDOTTSWSA-N -1 0 319.285 -0.601 20 0 DBADRM COCCCC(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001579786265 1020553489 /nfs/dbraw/zinc/55/34/89/1020553489.db2.gz RKQWLZLUIBGSEX-UHFFFAOYSA-N -1 0 320.357 -0.625 20 0 DBADRM O=C(Cc1c[nH]cn1)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001508223320 1020561591 /nfs/dbraw/zinc/56/15/91/1020561591.db2.gz SMIAAQRKOPTRSG-UHFFFAOYSA-N -1 0 317.353 -0.276 20 0 DBADRM C/C=C(/C)C(=O)NC1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001508364408 1020579040 /nfs/dbraw/zinc/57/90/40/1020579040.db2.gz NYJPBTMMSRDTTA-BAQGIRSFSA-N -1 0 323.353 -0.334 20 0 DBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@@H](C)NC(=O)C1CC1 ZINC001508436390 1020591132 /nfs/dbraw/zinc/59/11/32/1020591132.db2.gz BYKLNKSDMJKYKF-HTQZYQBOSA-N -1 0 308.338 -0.481 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H](C)NC(=O)C(C)(F)F ZINC001508454203 1020593667 /nfs/dbraw/zinc/59/36/67/1020593667.db2.gz OMSAOQCXHPYZGJ-PHDIDXHHSA-N -1 0 321.284 -0.646 20 0 DBADRM C[C@H](NC(=O)CC1CC1)[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001508457233 1020594114 /nfs/dbraw/zinc/59/41/14/1020594114.db2.gz XREHFFOPBSLIBU-IUCAKERBSA-N -1 0 322.365 -0.091 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)Cn2nccn2)c1[O-] ZINC001508542290 1020623958 /nfs/dbraw/zinc/62/39/58/1020623958.db2.gz XTAVTZFEJPUVNB-SFYZADRCSA-N -1 0 321.341 -0.662 20 0 DBADRM COc1nn(C)cc1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001580151431 1020656069 /nfs/dbraw/zinc/65/60/69/1020656069.db2.gz OTDUPRPAPKXMQL-UHFFFAOYSA-N -1 0 319.285 -0.848 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)Nn2cnnc2)cc1-c1nnn[n-]1 ZINC001580230325 1020672087 /nfs/dbraw/zinc/67/20/87/1020672087.db2.gz UJVUEUBWZZIHMH-UHFFFAOYSA-N -1 0 319.310 -0.335 20 0 DBADRM C[C@H](CNCc1cnon1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001580411315 1020707150 /nfs/dbraw/zinc/70/71/50/1020707150.db2.gz XIKZIHFKYQWVBI-SSDOTTSWSA-N -1 0 317.313 -0.514 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1ccco1 ZINC001580416983 1020711337 /nfs/dbraw/zinc/71/13/37/1020711337.db2.gz RGNDPMRCAVYTQG-MRVPVSSYSA-N -1 0 314.309 -0.098 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1cnco1 ZINC001580417866 1020712658 /nfs/dbraw/zinc/71/26/58/1020712658.db2.gz PTIKNJWOZMCWQT-SSDOTTSWSA-N -1 0 315.297 -0.703 20 0 DBADRM C[C@H](CNC(=O)CCCF)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001509018686 1020724582 /nfs/dbraw/zinc/72/45/82/1020724582.db2.gz YTUCBZLQDYUZAU-MRVPVSSYSA-N -1 0 317.321 -0.598 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC(=O)c2ccoc2)c(=O)n1C ZINC001580521170 1020742800 /nfs/dbraw/zinc/74/28/00/1020742800.db2.gz KEGQJUGPDXGBMP-UHFFFAOYSA-N -1 0 316.277 -0.489 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC([C@H](C)O)C1 ZINC001580597798 1020758918 /nfs/dbraw/zinc/75/89/18/1020758918.db2.gz NMIJEVZESXEVOY-ZETCQYMHSA-N -1 0 304.310 -0.271 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N(C)[C@@H]1COC[C@H]1O ZINC001580595788 1020759355 /nfs/dbraw/zinc/75/93/55/1020759355.db2.gz ADYLDESJFRXIFF-RKDXNWHRSA-N -1 0 320.309 -0.893 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1C[C@H](O)C2(CC2)C1 ZINC001580597179 1020759640 /nfs/dbraw/zinc/75/96/40/1020759640.db2.gz DKGKVOWEYUIFRD-VIFPVBQESA-N -1 0 316.321 -0.127 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N(C)C(C)(C)C(N)=O ZINC001580595785 1020759717 /nfs/dbraw/zinc/75/97/17/1020759717.db2.gz ABFZOINMDALUPY-UHFFFAOYSA-N -1 0 319.325 -0.388 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC(O)(C2CC2)C1 ZINC001580597801 1020760885 /nfs/dbraw/zinc/76/08/85/1020760885.db2.gz NTWBPIYZHQMWTA-UHFFFAOYSA-N -1 0 316.321 -0.127 20 0 DBADRM CNC(=O)CC(=O)N1CC([C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001509406534 1020786219 /nfs/dbraw/zinc/78/62/19/1020786219.db2.gz BNCVOQPZQZZEQT-SSDOTTSWSA-N -1 0 323.353 -0.863 20 0 DBADRM O=C(c1c[n-]ncc1=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC001580832142 1020802718 /nfs/dbraw/zinc/80/27/18/1020802718.db2.gz RWLMEIMXIWIVIQ-SNVBAGLBSA-N -1 0 305.338 -0.781 20 0 DBADRM Cc1ccc(CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)o1 ZINC001581196517 1020827503 /nfs/dbraw/zinc/82/75/03/1020827503.db2.gz ADJKVQCRYVFNTG-UHFFFAOYSA-N -1 0 317.313 -0.141 20 0 DBADRM Cc1cccnc1CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001581266361 1020829948 /nfs/dbraw/zinc/82/99/48/1020829948.db2.gz ORJGRFFVVQLTHG-UHFFFAOYSA-N -1 0 314.309 -0.018 20 0 DBADRM Cc1nc(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)[nH]c1C ZINC001581451271 1020835979 /nfs/dbraw/zinc/83/59/79/1020835979.db2.gz AMTVJWDCPHDHAV-QMMMGPOBSA-N -1 0 316.329 -0.324 20 0 DBADRM Cc1nocc1NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001581643964 1020840283 /nfs/dbraw/zinc/84/02/83/1020840283.db2.gz PQNAZEGTZROYHE-UHFFFAOYSA-N -1 0 318.253 -0.936 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H]2CC[C@H](O)CC2)c(-c2nnn[n-]2)c1=O ZINC001581747789 1020844386 /nfs/dbraw/zinc/84/43/86/1020844386.db2.gz VJFGGCJIKDOSFW-LJGSYFOKSA-N -1 0 307.314 -0.619 20 0 DBADRM Cn1c(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)ccc1-c1nn[nH]n1 ZINC001581749300 1020844454 /nfs/dbraw/zinc/84/44/54/1020844454.db2.gz QNMAKULHVCQLFN-SSDOTTSWSA-N -1 0 314.313 -0.652 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@H](O)CC(C)(C)C)c(-c2nnn[n-]2)c1=O ZINC001581748209 1020844589 /nfs/dbraw/zinc/84/45/89/1020844589.db2.gz SLGSTDAZVPTGPT-SSDOTTSWSA-N -1 0 323.357 -0.125 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2CC(C)(C)OC2=O)c(-c2nnn[n-]2)c1=O ZINC001581747661 1020844761 /nfs/dbraw/zinc/84/47/61/1020844761.db2.gz DUAAKGBZCIYHHF-RXMQYKEDSA-N -1 0 321.297 -0.828 20 0 DBADRM Cn1c(C(=O)NC2(c3nnn[n-]3)CCC2)ccc1-c1nn[nH]n1 ZINC001581750562 1020844804 /nfs/dbraw/zinc/84/48/04/1020844804.db2.gz PTWYLEOIDONDTI-UHFFFAOYSA-N -1 0 314.313 -0.473 20 0 DBADRM Cn1c(C(=O)N2CC[C@H](c3nnn[n-]3)C2)ccc1-c1nn[nH]n1 ZINC001581749301 1020844812 /nfs/dbraw/zinc/84/48/12/1020844812.db2.gz QNMAKULHVCQLFN-ZETCQYMHSA-N -1 0 314.313 -0.652 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H]2CC(C)(C)OC2=O)c(-c2nnn[n-]2)c1=O ZINC001581747662 1020844987 /nfs/dbraw/zinc/84/49/87/1020844987.db2.gz DUAAKGBZCIYHHF-YFKPBYRVSA-N -1 0 321.297 -0.828 20 0 DBADRM Cn1c(=O)[nH]c(NCCc2cscn2)c(-c2nnn[n-]2)c1=O ZINC001581747809 1020845296 /nfs/dbraw/zinc/84/52/96/1020845296.db2.gz WGMUIPMZSVLMNO-UHFFFAOYSA-N -1 0 320.338 -0.223 20 0 DBADRM NC(=O)c1cccc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)c1 ZINC001581905609 1020858568 /nfs/dbraw/zinc/85/85/68/1020858568.db2.gz SLPIBCOQQSWAQZ-UHFFFAOYSA-N -1 0 313.277 -0.724 20 0 DBADRM O=C(C1CC1)N1CCC[C@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001581923616 1020860342 /nfs/dbraw/zinc/86/03/42/1020860342.db2.gz YADPCFYIVUSTRZ-JTQLQIEISA-N -1 0 314.353 -0.109 20 0 DBADRM CC(C)(C)/C=C\C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001581961183 1020863425 /nfs/dbraw/zinc/86/34/25/1020863425.db2.gz FQCCZKPRUHRLLV-PLNGDYQASA-N -1 0 323.353 -0.381 20 0 DBADRM O=C(CCNC(=O)c1ccco1)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001582055049 1020872760 /nfs/dbraw/zinc/87/27/60/1020872760.db2.gz FOVXLYQIAGTJMB-UHFFFAOYSA-N -1 0 316.281 -0.059 20 0 DBADRM O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](O)[C@@H](O)C1 ZINC001582057882 1020872842 /nfs/dbraw/zinc/87/28/42/1020872842.db2.gz ZDIDBHWGQDKZIC-OLZOCXBDSA-N -1 0 317.349 -0.247 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](O)[C@@H](O)C1 ZINC001582129203 1020879313 /nfs/dbraw/zinc/87/93/13/1020879313.db2.gz XSCXWOQGAZSUPL-NEPJUHHUSA-N -1 0 319.321 -0.800 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001510705538 1020879428 /nfs/dbraw/zinc/87/94/28/1020879428.db2.gz YVTPZIXERBJOKY-BWZBUEFSSA-N -1 0 309.326 -0.485 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)Nc1ccns1 ZINC001582188727 1020883720 /nfs/dbraw/zinc/88/37/20/1020883720.db2.gz SLOKCGZPXGXJEV-UHFFFAOYSA-N -1 0 320.294 -0.776 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC1(C2(O)CCC2)CC1 ZINC001582199104 1020884717 /nfs/dbraw/zinc/88/47/17/1020884717.db2.gz FBWOUKRHCPRGDS-UHFFFAOYSA-N -1 0 318.341 -0.730 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@H](CCO)CC1 ZINC001582198394 1020884812 /nfs/dbraw/zinc/88/48/12/1020884812.db2.gz ZFRSHYAXVIQBTD-JTQLQIEISA-N -1 0 320.357 -0.531 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H](CCO)C1CCCC1 ZINC001582198069 1020884966 /nfs/dbraw/zinc/88/49/66/1020884966.db2.gz LEJRQVIBGWUSAF-JTQLQIEISA-N -1 0 320.357 -0.484 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccc(CO)cc1 ZINC001582199211 1020885388 /nfs/dbraw/zinc/88/53/88/1020885388.db2.gz FLYVKMWZDGMXPG-UHFFFAOYSA-N -1 0 314.309 -0.733 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)[C@H]1CCNC1=O ZINC001582425288 1020896394 /nfs/dbraw/zinc/89/63/94/1020896394.db2.gz RQMAKDADXKLAGF-BDAKNGLRSA-N -1 0 323.353 -0.816 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001582522442 1020902417 /nfs/dbraw/zinc/90/24/17/1020902417.db2.gz ZQBBKNGMTHWHPX-JZYVYDRUSA-N -1 0 314.353 -0.347 20 0 DBADRM O=C(NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C1=CCCC1 ZINC001582527857 1020903228 /nfs/dbraw/zinc/90/32/28/1020903228.db2.gz WFXSGTLTUSCJCC-UHFFFAOYSA-N -1 0 317.309 -0.645 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CCC[C@H](O)CC1 ZINC001582528122 1020903262 /nfs/dbraw/zinc/90/32/62/1020903262.db2.gz FAVLPHVMFTWGJB-VIFPVBQESA-N -1 0 321.345 -0.985 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1C[C@H]1C(F)(F)F ZINC001582528838 1020906350 /nfs/dbraw/zinc/90/63/50/1020906350.db2.gz OZEJWILXBPVROD-PHDIDXHHSA-N -1 0 316.247 -0.227 20 0 DBADRM O=C(NCc1nc(-c2nn[nH]n2)cs1)c1c[n-]ncc1=O ZINC001582560664 1020910509 /nfs/dbraw/zinc/91/05/09/1020910509.db2.gz IAIVMVYHVFKJMF-UHFFFAOYSA-N -1 0 304.295 -0.251 20 0 DBADRM O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001582607290 1020913736 /nfs/dbraw/zinc/91/37/36/1020913736.db2.gz BRJYXNHAEBMRLE-CZMCAQCFSA-N -1 0 314.353 -0.205 20 0 DBADRM O=C(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1C[C@H](O)[C@@H](CO)C1 ZINC001582702692 1020919626 /nfs/dbraw/zinc/91/96/26/1020919626.db2.gz KWDGAMAOMCPHRM-KCJUWKMLSA-N -1 0 323.740 -0.055 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CCO[C@@H]2COCC[C@@H]21 ZINC001582708159 1020919695 /nfs/dbraw/zinc/91/96/95/1020919695.db2.gz DYAHBXZLAKRRDN-NWDGAFQWSA-N -1 0 316.321 -0.108 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CCS(=O)(=O)CCO1 ZINC001582708481 1020920135 /nfs/dbraw/zinc/92/01/35/1020920135.db2.gz LYTVDAZUVFYCRW-UHFFFAOYSA-N -1 0 324.322 -0.936 20 0 DBADRM OCC1(CO)CN(c2nc(-c3nnn[n-]3)c(Cl)s2)C1 ZINC001582812719 1020927879 /nfs/dbraw/zinc/92/78/79/1020927879.db2.gz QYTBIAUIXUWJTH-UHFFFAOYSA-N -1 0 302.747 -0.232 20 0 DBADRM CO[C@@H](C)CC(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001510902413 1020936743 /nfs/dbraw/zinc/93/67/43/1020936743.db2.gz BWHZTRVBBRKGLK-IONNQARKSA-N -1 0 314.342 -0.944 20 0 DBADRM C/C=C(\C)C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001583194701 1020980518 /nfs/dbraw/zinc/98/05/18/1020980518.db2.gz AXSWWDOJTXDKDU-JPXXCTSLSA-N -1 0 307.310 -0.349 20 0 DBADRM CCNC(=O)CC(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001583218145 1020981379 /nfs/dbraw/zinc/98/13/79/1020981379.db2.gz DAUYNBRJPQXBNG-PLNGDYQASA-N -1 0 323.353 -0.648 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001511182580 1021026736 /nfs/dbraw/zinc/02/67/36/1021026736.db2.gz VLOJSTADBFQWMH-WCBMZHEXSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(C)=CC(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001585096291 1021045105 /nfs/dbraw/zinc/04/51/05/1021045105.db2.gz UKILKLYNFHAEGI-UHFFFAOYSA-N -1 0 309.326 -0.580 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cc(C(=O)OC(C)(C)C)nn1C ZINC001585643651 1021060587 /nfs/dbraw/zinc/06/05/87/1021060587.db2.gz RZLGPLNSWXSPQL-UHFFFAOYSA-N -1 0 312.326 -0.217 20 0 DBADRM Cc1nn(C)c2ncc(NC(=O)Cn3c(=O)[n-][nH]c3=O)cc12 ZINC001587950884 1021085352 /nfs/dbraw/zinc/08/53/52/1021085352.db2.gz JKVJPVOLQMTYDQ-UHFFFAOYSA-N -1 0 303.282 -0.082 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN(C)C(=O)c2cc[nH]c2)c1[O-] ZINC001511547137 1021087304 /nfs/dbraw/zinc/08/73/04/1021087304.db2.gz AONDCJUTBURUGW-JTQLQIEISA-N -1 0 321.337 -0.385 20 0 DBADRM CCC(=O)NC[C@H](O)CN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001511578644 1021096415 /nfs/dbraw/zinc/09/64/15/1021096415.db2.gz MKYYGCADBVGKPI-QMMMGPOBSA-N -1 0 322.321 -0.113 20 0 DBADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1ccnn1C)CN1CCOCC1 ZINC001588481636 1021102991 /nfs/dbraw/zinc/10/29/91/1021102991.db2.gz YPHYRVQSVCKQKP-FPAJZGIOSA-N -1 0 322.365 -0.060 20 0 DBADRM CC(=O)N1CCN(CCS(=O)(=O)CC(=O)[O-])C(C)(C)C1 ZINC001588496598 1021106194 /nfs/dbraw/zinc/10/61/94/1021106194.db2.gz KZTHKLFDYICPLS-UHFFFAOYSA-N -1 0 306.384 -0.572 20 0 DBADRM CC(=O)N1CC(C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)C1 ZINC001588492377 1021106783 /nfs/dbraw/zinc/10/67/83/1021106783.db2.gz GGOPMUIREGSDCO-UHFFFAOYSA-N -1 0 308.294 -0.472 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001588492415 1021106951 /nfs/dbraw/zinc/10/69/51/1021106951.db2.gz HTJNIVIBYDPBRG-CQSZACIVSA-N -1 0 316.354 -0.521 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)c2cc(C(=O)[O-])nn2C)CC1 ZINC001588496422 1021107492 /nfs/dbraw/zinc/10/74/92/1021107492.db2.gz GQSOTFVJHAMZKL-UHFFFAOYSA-N -1 0 323.353 -0.988 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001588501891 1021107593 /nfs/dbraw/zinc/10/75/93/1021107593.db2.gz KGLDEGDPSICAQX-GHMZBOCLSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(=O)N1CCC[C@H](CNC(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC001588493710 1021107757 /nfs/dbraw/zinc/10/77/57/1021107757.db2.gz AKHFGQPTUQOZCG-LLVKDONJSA-N -1 0 313.354 -0.706 20 0 DBADRM CC(=O)NCCN(C(=O)Cn1cc(C2CC2)nn1)[C@H](C)C(=O)[O-] ZINC001588507422 1021108286 /nfs/dbraw/zinc/10/82/86/1021108286.db2.gz DNIZIRYJHRJOLI-SECBINFHSA-N -1 0 323.353 -0.407 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1nccn1C)[C@@H](C)C(=O)[O-] ZINC001588506368 1021108914 /nfs/dbraw/zinc/10/89/14/1021108914.db2.gz GELHQALSRRLLCM-JTQLQIEISA-N -1 0 310.354 -0.210 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CCC(=O)[O-])C1 ZINC001588502467 1021108953 /nfs/dbraw/zinc/10/89/53/1021108953.db2.gz UJWOYWWMHFANCP-SNVBAGLBSA-N -1 0 300.311 -0.479 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCNC(=O)CC1)[C@H](C)C(=O)[O-] ZINC001588506109 1021109430 /nfs/dbraw/zinc/10/94/30/1021109430.db2.gz DAMWMWKTGAZVMD-KOLCDFICSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)Cc1ccno1 ZINC001588508548 1021109555 /nfs/dbraw/zinc/10/95/55/1021109555.db2.gz LYDMOWFJIMHIOP-MRVPVSSYSA-N -1 0 319.339 -0.584 20 0 DBADRM CC(=O)OC1CCN(C(=O)C(=O)NCCCCC(=O)[O-])CC1 ZINC001588525824 1021110469 /nfs/dbraw/zinc/11/04/69/1021110469.db2.gz GLICRQCHUJINAB-UHFFFAOYSA-N -1 0 314.338 -0.088 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001588565648 1021117133 /nfs/dbraw/zinc/11/71/33/1021117133.db2.gz MZOHEMVNAGBDOX-VHSXEESVSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC001588564130 1021117586 /nfs/dbraw/zinc/11/75/86/1021117586.db2.gz CQDWOIFNRNRXAN-QMMMGPOBSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C1CC1 ZINC001588590848 1021118457 /nfs/dbraw/zinc/11/84/57/1021118457.db2.gz ATBLGOPTYSSAEI-CBAPKCEASA-N -1 0 323.309 -0.536 20 0 DBADRM C[C@H](C(=O)[O-])c1noc(CN(C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC001588601619 1021119281 /nfs/dbraw/zinc/11/92/81/1021119281.db2.gz GPMHWXFYWGVHHT-JGVFFNPUSA-N -1 0 303.340 -0.123 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)CC[C@@H]2NC(=O)NC2=O)cn1 ZINC001588617655 1021119752 /nfs/dbraw/zinc/11/97/52/1021119752.db2.gz ZBUNYWVTPHIECL-QMMMGPOBSA-N -1 0 323.309 -0.371 20 0 DBADRM CC(C)(C(=O)NCCOCCOCC(=O)[O-])N1CCOCC1 ZINC001588609710 1021120306 /nfs/dbraw/zinc/12/03/06/1021120306.db2.gz BUVNARFINWCTAN-UHFFFAOYSA-N -1 0 318.370 -0.669 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 ZINC001588611373 1021120533 /nfs/dbraw/zinc/12/05/33/1021120533.db2.gz MOGNLDDMODFTGR-UHFFFAOYSA-N -1 0 319.379 -0.097 20 0 DBADRM CC(C)(C)[C@H](O)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588638828 1021121015 /nfs/dbraw/zinc/12/10/15/1021121015.db2.gz JSYQVYIRWCFHCV-MWLCHTKSSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N2C[C@@H](O)[C@H](CO)C2)n1 ZINC001588623677 1021121385 /nfs/dbraw/zinc/12/13/85/1021121385.db2.gz PBRJXGQRCGAABO-DTWKUNHWSA-N -1 0 312.326 -0.480 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C[C@H]2CC(=O)NC2=O)n1 ZINC001588621921 1021122323 /nfs/dbraw/zinc/12/23/23/1021122323.db2.gz QXKFOUROEVAQOP-ZETCQYMHSA-N -1 0 308.294 -0.306 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001588651548 1021123258 /nfs/dbraw/zinc/12/32/58/1021123258.db2.gz PJJBRZSDZAWRAF-UWVGGRQHSA-N -1 0 312.322 -0.504 20 0 DBADRM CC(C)(C)[C@H](NC(=O)NCCOCCOCC(=O)[O-])C(N)=O ZINC001588739300 1021129828 /nfs/dbraw/zinc/12/98/28/1021129828.db2.gz LNNBMNQYQWRFJN-SNVBAGLBSA-N -1 0 319.358 -0.697 20 0 DBADRM CC(C)(C)N1C[C@@H](CNC(=O)c2cn(CC(=O)[O-])nn2)CC1=O ZINC001588659999 1021123961 /nfs/dbraw/zinc/12/39/61/1021123961.db2.gz VOAXRGNAANQVPW-SECBINFHSA-N -1 0 323.353 -0.261 20 0 DBADRM CC(C)(C)OC(=O)N1CC(NC(=O)CCC(=O)[O-])(C(N)=O)C1 ZINC001588676718 1021125955 /nfs/dbraw/zinc/12/59/55/1021125955.db2.gz QJROMRDOPCGMQR-UHFFFAOYSA-N -1 0 315.326 -0.558 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)OCC(=O)C(=O)[O-])C1 ZINC001588697061 1021128361 /nfs/dbraw/zinc/12/83/61/1021128361.db2.gz FDWFBAFMQWHVIW-SECBINFHSA-N -1 0 317.294 -0.181 20 0 DBADRM CC(C)(CNS(C)(=O)=O)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001588783638 1021131032 /nfs/dbraw/zinc/13/10/32/1021131032.db2.gz KGBGEKUMOJKGQD-UHFFFAOYSA-N -1 0 315.351 -0.163 20 0 DBADRM CC(C)(CCNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC001588774339 1021131202 /nfs/dbraw/zinc/13/12/02/1021131202.db2.gz NRYYFDFEVOQDIS-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)(C)[S@@](=O)CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001588738961 1021131280 /nfs/dbraw/zinc/13/12/80/1021131280.db2.gz SVJDJUFTLIWSSR-FPVGNUTFSA-N -1 0 318.395 -0.417 20 0 DBADRM CC(C)(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)CS(N)(=O)=O ZINC001588783343 1021131422 /nfs/dbraw/zinc/13/14/22/1021131422.db2.gz MYADENVXJKYFNF-OCAPTIKFSA-N -1 0 307.372 -0.537 20 0 DBADRM CC(C)(O)C(C)(C)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001588795527 1021133204 /nfs/dbraw/zinc/13/32/04/1021133204.db2.gz CJUJYWWOSXULPG-SECBINFHSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(O)C(C)(C)CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001588795543 1021133346 /nfs/dbraw/zinc/13/33/46/1021133346.db2.gz DQZGDXPAGPGVFG-VIFPVBQESA-N -1 0 316.354 -0.788 20 0 DBADRM CC(C)(O)[C@H]1CCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001588795478 1021133484 /nfs/dbraw/zinc/13/34/84/1021133484.db2.gz AMVLRYQBPDLYRE-NSHDSACASA-N -1 0 318.370 -0.093 20 0 DBADRM CC(C)(NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ncon1 ZINC001588786747 1021133625 /nfs/dbraw/zinc/13/36/25/1021133625.db2.gz LGXCRYRFWXLNJM-MRVPVSSYSA-N -1 0 310.310 -0.256 20 0 DBADRM CC(=O)N1CC[C@@](C)(CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001588810757 1021134326 /nfs/dbraw/zinc/13/43/26/1021134326.db2.gz IQIBSKINNFDZFJ-ZDUSSCGKSA-N -1 0 302.342 -0.251 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 ZINC001588803813 1021134395 /nfs/dbraw/zinc/13/43/95/1021134395.db2.gz IWZCSBQZYBKTFG-NXEZZACHSA-N -1 0 307.368 -0.385 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC001588809784 1021135060 /nfs/dbraw/zinc/13/50/60/1021135060.db2.gz WZPKUJUNNVDMBJ-ZETCQYMHSA-N -1 0 305.312 -0.091 20 0 DBADRM CC(C)[C@H](CNC(=O)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC001588820962 1021136926 /nfs/dbraw/zinc/13/69/26/1021136926.db2.gz KMJXGGOTNQVZPB-JTQLQIEISA-N -1 0 306.384 -0.115 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CCS(=O)(=O)CCO1)C(=O)[O-] ZINC001588823125 1021137554 /nfs/dbraw/zinc/13/75/54/1021137554.db2.gz JGMJFIVUYRRMLE-SECBINFHSA-N -1 0 308.356 -0.285 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H]1CO)C(=O)[O-] ZINC001588815435 1021137573 /nfs/dbraw/zinc/13/75/73/1021137573.db2.gz PTURILCIPNBHTE-DCAQKATOSA-N -1 0 300.355 -0.311 20 0 DBADRM CC(C)[C@H](CNC(=S)NCCNS(C)(=O)=O)C(=O)[O-] ZINC001588830840 1021139904 /nfs/dbraw/zinc/13/99/04/1021139904.db2.gz OYUXWFYVEHSXHI-QMMMGPOBSA-N -1 0 311.429 -0.644 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NC(C)(C)C(=O)[O-] ZINC001588843905 1021141205 /nfs/dbraw/zinc/14/12/05/1021141205.db2.gz SDNKFIOSEMBGQN-QMMMGPOBSA-N -1 0 301.343 -0.628 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC001588843255 1021141983 /nfs/dbraw/zinc/14/19/83/1021141983.db2.gz HCTGXABHKOLJQF-JOYOIKCWSA-N -1 0 315.370 -0.382 20 0 DBADRM CC(C)C[C@H](CNC(=O)NC[C@@H](O)CS(C)(=O)=O)C(=O)[O-] ZINC001588852810 1021143332 /nfs/dbraw/zinc/14/33/32/1021143332.db2.gz PXOXDARQSGUGKW-NXEZZACHSA-N -1 0 324.399 -0.562 20 0 DBADRM CC(C)C[C@@]1(C(=O)Nc2ncn(CC(=O)[O-])n2)CCNC1=O ZINC001588860868 1021145392 /nfs/dbraw/zinc/14/53/92/1021145392.db2.gz LTWCAAOEPAOIDJ-ZDUSSCGKSA-N -1 0 309.326 -0.146 20 0 DBADRM CN1CC[C@@H](NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1=O ZINC001588869953 1021146852 /nfs/dbraw/zinc/14/68/52/1021146852.db2.gz BTIDFTUVTFIJBH-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(C)N1C(=O)CN(CCS(=O)(=O)CC(=O)[O-])CC1(C)C ZINC001588922021 1021150121 /nfs/dbraw/zinc/15/01/21/1021150121.db2.gz VGHQTLONTLKAHC-UHFFFAOYSA-N -1 0 320.411 -0.183 20 0 DBADRM CC(C)C[C@H](NC(=O)C(=O)N=c1nc[nH]n1C(C)C)C(=O)[O-] ZINC001588898507 1021150939 /nfs/dbraw/zinc/15/09/39/1021150939.db2.gz AKPWVHGUNPVRKT-VIFPVBQESA-N -1 0 311.342 -0.165 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1=O ZINC001588922560 1021154612 /nfs/dbraw/zinc/15/46/12/1021154612.db2.gz QWNYCRJDAYUXKR-VHSXEESVSA-N -1 0 311.338 -0.955 20 0 DBADRM CC(=O)c1cn(C2CN(c3ccnc(-c4nnn[n-]4)n3)C2)nn1 ZINC001588923018 1021154778 /nfs/dbraw/zinc/15/47/78/1021154778.db2.gz VSGKDDQAISKZLX-UHFFFAOYSA-N -1 0 312.297 -0.488 20 0 DBADRM C[C@H](C(=O)N(C)CC1(O)CCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588940374 1021155803 /nfs/dbraw/zinc/15/58/03/1021155803.db2.gz OKUXVEXFVPLXKA-MRVPVSSYSA-N -1 0 306.330 -0.607 20 0 DBADRM C[C@@H](C(=O)N1CCC(C)(O)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588948201 1021156529 /nfs/dbraw/zinc/15/65/29/1021156529.db2.gz GPHYYOSCOBEKMV-QMMMGPOBSA-N -1 0 306.330 -0.607 20 0 DBADRM C[C@H](C(=O)N(C)[C@@H]1CCSC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588936757 1021156606 /nfs/dbraw/zinc/15/66/06/1021156606.db2.gz RTMNLCKAXOVOQK-HTQZYQBOSA-N -1 0 308.371 -0.017 20 0 DBADRM C[C@H](C(=O)N1C[C@@H](O)C(C)(C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588945750 1021157141 /nfs/dbraw/zinc/15/71/41/1021157141.db2.gz NIZIMHJSVGVWQH-HTQZYQBOSA-N -1 0 306.330 -0.752 20 0 DBADRM CC(=CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])CN1CCOCC1 ZINC001588942672 1021157292 /nfs/dbraw/zinc/15/72/92/1021157292.db2.gz QKDABPNFIOFDOP-GXJZLWQJSA-N -1 0 322.365 -0.200 20 0 DBADRM C[C@@H](C(=O)N1C[C@H](O)C(C)(C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588945755 1021158139 /nfs/dbraw/zinc/15/81/39/1021158139.db2.gz NIZIMHJSVGVWQH-YUMQZZPRSA-N -1 0 306.330 -0.752 20 0 DBADRM C[C@H](C(=O)N(C)c1ncccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001588943422 1021158181 /nfs/dbraw/zinc/15/81/81/1021158181.db2.gz NVXILKOZVAXJKA-SSDOTTSWSA-N -1 0 300.286 -0.528 20 0 DBADRM C[C@H](C(=O)N1CC(OC(F)F)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588944891 1021159708 /nfs/dbraw/zinc/15/97/08/1021159708.db2.gz GDWPPKYYEDFRKY-RXMQYKEDSA-N -1 0 314.256 -0.531 20 0 DBADRM C[C@@H](C(=O)N1CCCc2n[nH]cc21)n1cnc(-c2nnn[n-]2)n1 ZINC001588957613 1021160816 /nfs/dbraw/zinc/16/08/16/1021160816.db2.gz KXAJPMWKQIXVGR-ZETCQYMHSA-N -1 0 314.313 -0.278 20 0 DBADRM CC(C)[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C(=O)N1CCCC1 ZINC001588954966 1021160852 /nfs/dbraw/zinc/16/08/52/1021160852.db2.gz WRZNTELESBEYOK-QWRGUYRKSA-N -1 0 311.338 -0.021 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588958734 1021161345 /nfs/dbraw/zinc/16/13/45/1021161345.db2.gz VBEFSVNPTPQRMJ-JQWIXIFHSA-N -1 0 313.354 -0.661 20 0 DBADRM C/C(=C/CN1CCN(S(=O)(=O)c2cc[nH]n2)CC1)C(=O)[O-] ZINC001588961121 1021161494 /nfs/dbraw/zinc/16/14/94/1021161494.db2.gz HTAZAHDRRWKCOE-KMKOMSMNSA-N -1 0 314.367 -0.253 20 0 DBADRM C[C@@H](C(=O)N1CCCC[C@H]1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001588957047 1021162663 /nfs/dbraw/zinc/16/26/63/1021162663.db2.gz PHXMGZOPCDBSME-IUCAKERBSA-N -1 0 306.330 -0.607 20 0 DBADRM C[C@@H](C(=O)N1CCCC[C@@H]1CCO)n1cnc(-c2nnn[n-]2)n1 ZINC001588957013 1021163309 /nfs/dbraw/zinc/16/33/09/1021163309.db2.gz OAMRPHDIKMUEAG-VHSXEESVSA-N -1 0 320.357 -0.217 20 0 DBADRM C[C@@H](C(=O)N1CCc2c[nH]nc2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588962619 1021163613 /nfs/dbraw/zinc/16/36/13/1021163613.db2.gz NBUOKIOAUJUMIS-ZETCQYMHSA-N -1 0 314.313 -0.673 20 0 DBADRM CC(C)[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(=O)N1CCCC1 ZINC001588954964 1021165606 /nfs/dbraw/zinc/16/56/06/1021165606.db2.gz WRZNTELESBEYOK-MNOVXSKESA-N -1 0 311.338 -0.021 20 0 DBADRM C/C(=C/CN1CCN(S(=O)(=O)NC(C)C)CC1)C(=O)[O-] ZINC001588961276 1021165643 /nfs/dbraw/zinc/16/56/43/1021165643.db2.gz NYLNCRATPXMGPV-WCIBSUBMSA-N -1 0 305.400 -0.122 20 0 DBADRM C[C@H](C[C@H](C)NC(=O)C1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001512195371 1021170401 /nfs/dbraw/zinc/17/04/01/1021170401.db2.gz JLQCPKUPRPKIOM-SFYZADRCSA-N -1 0 311.342 -0.501 20 0 DBADRM C[C@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588964199 1021171270 /nfs/dbraw/zinc/17/12/70/1021171270.db2.gz ZSOJAZIKDFMNPR-HRDYMLBCSA-N -1 0 306.330 -0.345 20 0 DBADRM C[C@H](CC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)NC(N)=O ZINC001588988800 1021173327 /nfs/dbraw/zinc/17/33/27/1021173327.db2.gz KHHXMICDBODNIA-RKDXNWHRSA-N -1 0 314.342 -0.985 20 0 DBADRM C[C@H](C(=O)NCC1([S@@](C)=O)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588983736 1021174102 /nfs/dbraw/zinc/17/41/02/1021174102.db2.gz JPVSCVIYIJABQB-CGQWYARDSA-N -1 0 324.370 -0.954 20 0 DBADRM C[C@@H](C(=O)NCC1(O)CCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588984019 1021176467 /nfs/dbraw/zinc/17/64/67/1021176467.db2.gz NNPDWFKWHXTCLZ-QMMMGPOBSA-N -1 0 306.330 -0.560 20 0 DBADRM C[C@H](C(=O)NCCn1cnc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001588996071 1021178073 /nfs/dbraw/zinc/17/80/73/1021178073.db2.gz DCKXXIGLYQFDHX-MRVPVSSYSA-N -1 0 302.302 -0.968 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001588997494 1021178548 /nfs/dbraw/zinc/17/85/48/1021178548.db2.gz CTWBZXJZZHDAIN-VIFPVBQESA-N -1 0 309.326 -0.359 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001588996844 1021178638 /nfs/dbraw/zinc/17/86/38/1021178638.db2.gz LNMOSRUZOJFOKH-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC001588993878 1021178689 /nfs/dbraw/zinc/17/86/89/1021178689.db2.gz VNXCHGYCMVWYLY-MRVPVSSYSA-N -1 0 319.317 -0.110 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001588996925 1021179136 /nfs/dbraw/zinc/17/91/36/1021179136.db2.gz OQYJWOWDDCKIIK-BBBLOLIVSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001588996928 1021179467 /nfs/dbraw/zinc/17/94/67/1021179467.db2.gz OQYJWOWDDCKIIK-UTLUCORTSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001588997990 1021179652 /nfs/dbraw/zinc/17/96/52/1021179652.db2.gz GTPZPTYXFWRPPM-UTLUCORTSA-N -1 0 321.399 -0.133 20 0 DBADRM C[C@H](CC(=O)[O-])NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001589009237 1021181543 /nfs/dbraw/zinc/18/15/43/1021181543.db2.gz LWXNDKWLRFLKNE-BDAKNGLRSA-N -1 0 313.397 -0.406 20 0 DBADRM CC(=O)N[C@H](CCC(C)C)C(=O)NCC(=O)NCC(=O)[O-] ZINC001589113253 1021195664 /nfs/dbraw/zinc/19/56/64/1021195664.db2.gz NWQLWXCKQGJWDZ-SNVBAGLBSA-N -1 0 301.343 -0.756 20 0 DBADRM C[C@@H](C(=O)O[C@@H]1CCCN(C)C1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001589027867 1021183274 /nfs/dbraw/zinc/18/32/74/1021183274.db2.gz QEXSIABFSKFOKE-JGVFFNPUSA-N -1 0 320.313 -0.817 20 0 DBADRM C[C@H](C(=O)Nc1ccncc1F)n1cnc(-c2nnn[n-]2)n1 ZINC001589022167 1021184139 /nfs/dbraw/zinc/18/41/39/1021184139.db2.gz VDODCZRCAISNSL-ZCFIWIBFSA-N -1 0 303.261 -0.386 20 0 DBADRM C[C@H](C(=O)Nc1ncccc1O)n1cnc(-c2nnn[n-]2)n1 ZINC001589025379 1021184186 /nfs/dbraw/zinc/18/41/86/1021184186.db2.gz SFTHNZVFSMXNSC-ZCFIWIBFSA-N -1 0 301.270 -0.242 20 0 DBADRM C[C@@H](C(=O)OCC(=O)NCC1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001589025822 1021184337 /nfs/dbraw/zinc/18/43/37/1021184337.db2.gz FNTDSISAGITLEK-ZETCQYMHSA-N -1 0 320.313 -0.911 20 0 DBADRM C[C@@H](C(=O)OC[C@H]1CN(C)C(=O)O1)n1cnc(-c2nnn[n-]2)n1 ZINC001589025814 1021184465 /nfs/dbraw/zinc/18/44/65/1021184465.db2.gz FLMMITXTHJPWRY-NKWVEPMBSA-N -1 0 322.285 -0.987 20 0 DBADRM CC(=O)N(C)Cc1cn([C@H]2CCCN(CCC(=O)[O-])C2=O)nn1 ZINC001589042384 1021187097 /nfs/dbraw/zinc/18/70/97/1021187097.db2.gz XJFAWHBRVDIHDC-LBPRGKRZSA-N -1 0 323.353 -0.105 20 0 DBADRM CC(=O)N1C[C@@H](C(=O)NC[C@@H](O)CC(=O)[O-])Oc2ccccc21 ZINC001589056682 1021187753 /nfs/dbraw/zinc/18/77/53/1021187753.db2.gz NKFAZPBWIYTBAK-GWCFXTLKSA-N -1 0 322.317 -0.248 20 0 DBADRM CC(=O)N1CC[C@@H](CN(C)C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001589063852 1021189030 /nfs/dbraw/zinc/18/90/30/1021189030.db2.gz VXBYOGSDVLHQRX-NSHDSACASA-N -1 0 308.338 -0.092 20 0 DBADRM CC(=O)N1C[C@@H](C(=O)NC[C@H](O)CC(=O)[O-])Oc2ccccc21 ZINC001589056689 1021189608 /nfs/dbraw/zinc/18/96/08/1021189608.db2.gz NKFAZPBWIYTBAK-MFKMUULPSA-N -1 0 322.317 -0.248 20 0 DBADRM CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)[C@H](C)C1 ZINC001589080032 1021190563 /nfs/dbraw/zinc/19/05/63/1021190563.db2.gz PBZKSRSGKCZPHC-BXKDBHETSA-N -1 0 323.349 -0.645 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)[C@@H](C)C1 ZINC001589085571 1021190998 /nfs/dbraw/zinc/19/09/98/1021190998.db2.gz XMJBBMJYVQEFJF-VIFPVBQESA-N -1 0 304.368 -0.266 20 0 DBADRM CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1 ZINC001589087200 1021191144 /nfs/dbraw/zinc/19/11/44/1021191144.db2.gz PRZZQXYSEWLWRJ-YIZRAAEISA-N -1 0 306.265 -0.684 20 0 DBADRM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001589087546 1021192932 /nfs/dbraw/zinc/19/29/32/1021192932.db2.gz CQQUUULQIXNNBM-SECBINFHSA-N -1 0 302.308 -0.123 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)C2(C(=O)[O-])CC2)C1 ZINC001589119587 1021194493 /nfs/dbraw/zinc/19/44/93/1021194493.db2.gz DUSYHJHYUQZGCB-SNVBAGLBSA-N -1 0 312.322 -0.479 20 0 DBADRM CC(=O)N1C[C@@H]2CN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@@H]2C1 ZINC001589093855 1021194673 /nfs/dbraw/zinc/19/46/73/1021194673.db2.gz RGIQPZFNNFZPHW-PHIMTYICSA-N -1 0 319.383 -0.952 20 0 DBADRM CC(=O)N[C@](C)(C(=O)N1CCC(O)(C(=O)[O-])CC1)C(C)C ZINC001589104307 1021195338 /nfs/dbraw/zinc/19/53/38/1021195338.db2.gz OYGPQVGZDDGZSR-ZDUSSCGKSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001589093796 1021195519 /nfs/dbraw/zinc/19/55/19/1021195519.db2.gz OCSHTXPWKMQNMV-JOYOIKCWSA-N -1 0 302.352 -0.342 20 0 DBADRM CC(=O)N[C@@H](CCC(C)C)C(=O)NCC(=O)NCC(=O)[O-] ZINC001589113251 1021195591 /nfs/dbraw/zinc/19/55/91/1021195591.db2.gz NWQLWXCKQGJWDZ-JTQLQIEISA-N -1 0 301.343 -0.756 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)CCCNc1ncc(C(=O)[O-])cn1 ZINC001589106165 1021195734 /nfs/dbraw/zinc/19/57/34/1021195734.db2.gz XEPSEXRYXNCTGH-SECBINFHSA-N -1 0 323.353 -0.040 20 0 DBADRM CC(=O)N1C[C@@H]2CN(S(=O)(=O)CC3(C(=O)[O-])CC3)C[C@@H]2C1 ZINC001589093528 1021195758 /nfs/dbraw/zinc/19/57/58/1021195758.db2.gz CIERXTDZFCNWEP-PHIMTYICSA-N -1 0 316.379 -0.409 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)CNC(=O)C(F)F ZINC001512364240 1021196146 /nfs/dbraw/zinc/19/61/46/1021196146.db2.gz BDYWWRCPLSQTNO-ZCFIWIBFSA-N -1 0 321.284 -0.692 20 0 DBADRM CC(=O)NCCCN1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001589136368 1021198027 /nfs/dbraw/zinc/19/80/27/1021198027.db2.gz HPJRYNDUXSBCMG-UHFFFAOYSA-N -1 0 307.354 -0.177 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001589137593 1021198056 /nfs/dbraw/zinc/19/80/56/1021198056.db2.gz JGHNTMUKMYTSHV-LLVKDONJSA-N -1 0 313.354 -0.802 20 0 DBADRM CC(=O)NCCN(C)CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001589137570 1021198880 /nfs/dbraw/zinc/19/88/80/1021198880.db2.gz IJPILVNTPKRNPL-ZDUSSCGKSA-N -1 0 314.342 -0.813 20 0 DBADRM CC(=O)NCCCNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589137144 1021199001 /nfs/dbraw/zinc/19/90/01/1021199001.db2.gz VWGURAJBNKODFS-JTQLQIEISA-N -1 0 324.341 -0.541 20 0 DBADRM CC(=O)NCc1ccc(C(=O)NC[C@@H](O)CC(=O)[O-])s1 ZINC001589145805 1021199389 /nfs/dbraw/zinc/19/93/89/1021199389.db2.gz HXWQTHSQQBRXHE-QMMMGPOBSA-N -1 0 300.336 -0.050 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nn2)CCO1 ZINC001589133138 1021199925 /nfs/dbraw/zinc/19/99/25/1021199925.db2.gz FEOAOINBNYNJBE-SECBINFHSA-N -1 0 323.309 -0.456 20 0 DBADRM CC(C)(C)OC(=O)C(=O)Cn1cnc(-c2nnn[n-]2)cc1=O ZINC001589140657 1021200727 /nfs/dbraw/zinc/20/07/27/1021200727.db2.gz AIORZKSOQDPUPO-UHFFFAOYSA-N -1 0 306.282 -0.666 20 0 DBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)NC3(C(=O)[O-])CC3)c2C1 ZINC001589128806 1021200817 /nfs/dbraw/zinc/20/08/17/1021200817.db2.gz CJKGKWLSGGBVFD-SNVBAGLBSA-N -1 0 320.349 -0.071 20 0 DBADRM CC(=O)NCCN(C)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001589137485 1021201285 /nfs/dbraw/zinc/20/12/85/1021201285.db2.gz CUJIHGOBNQYZBM-UHFFFAOYSA-N -1 0 314.367 -0.223 20 0 DBADRM CC(=O)NCCN(C)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001589139905 1021201532 /nfs/dbraw/zinc/20/15/32/1021201532.db2.gz NJJLWFIWUJOAGK-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM CC(=O)Nc1cnccc1C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001589223013 1021202172 /nfs/dbraw/zinc/20/21/72/1021202172.db2.gz IVGJQPOCHMMPMB-UHFFFAOYSA-N -1 0 306.322 -0.118 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-])C(N)=O ZINC001589153452 1021202635 /nfs/dbraw/zinc/20/26/35/1021202635.db2.gz YLNYQSFUEUVZLS-WYFGTUCQSA-N -1 0 311.338 -0.922 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)CCCN1CCCC1=O)C(=O)[O-] ZINC001589156849 1021202734 /nfs/dbraw/zinc/20/27/34/1021202734.db2.gz XRNMTHUTABROJP-WVDJIFEKSA-N -1 0 304.368 -0.663 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)CCC(=O)NC1CCCC1)C(=O)[O-] ZINC001589155557 1021204060 /nfs/dbraw/zinc/20/40/60/1021204060.db2.gz IOAIPGKDODJROW-WIUDPPPLSA-N -1 0 318.395 -0.227 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001589228427 1021204611 /nfs/dbraw/zinc/20/46/11/1021204611.db2.gz HBAPDAOYJXCSRL-SCZZXKLOSA-N -1 0 309.340 -0.557 20 0 DBADRM CC(=O)Nc1ccc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])nc1 ZINC001589186638 1021204927 /nfs/dbraw/zinc/20/49/27/1021204927.db2.gz ZZBRPNQVPOLZIM-NSHDSACASA-N -1 0 318.293 -0.485 20 0 DBADRM CC(=O)N[C@@H](CS[C@@H](C)C(=O)NC[C@H]1CCCO1)C(=O)[O-] ZINC001589157304 1021205484 /nfs/dbraw/zinc/20/54/84/1021205484.db2.gz KVKUAYZDXVABEN-GDPRMGEGSA-N -1 0 318.395 -0.007 20 0 DBADRM CC(C)(NC(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H]1CCCCO1 ZINC001589316156 1021207992 /nfs/dbraw/zinc/20/79/92/1021207992.db2.gz MTLQTLYIONOQDS-SECBINFHSA-N -1 0 320.357 -0.078 20 0 DBADRM CC(=O)c1ncc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])s1 ZINC001589322740 1021209884 /nfs/dbraw/zinc/20/98/84/1021209884.db2.gz MDHZEYGRQNACPC-ZETCQYMHSA-N -1 0 311.319 -0.287 20 0 DBADRM CC(=O)c1cn(CC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)nn1 ZINC001589318761 1021210264 /nfs/dbraw/zinc/21/02/64/1021210264.db2.gz RJCMAWWQPGPSCK-SNVBAGLBSA-N -1 0 323.353 -0.512 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001589336662 1021212682 /nfs/dbraw/zinc/21/26/82/1021212682.db2.gz KGJWZBAZEICQBW-VIFPVBQESA-N -1 0 322.383 -0.594 20 0 DBADRM CN(C[C@H]1CCCCN1C(=O)c1ncccc1O)C(=O)C(N)=O ZINC001512506933 1021215385 /nfs/dbraw/zinc/21/53/85/1021215385.db2.gz PEZOCWBNXSGTAA-SNVBAGLBSA-N -1 0 320.349 -0.274 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)NCC1(C(=O)[O-])CC1)n1cccn1 ZINC001589336526 1021217974 /nfs/dbraw/zinc/21/79/74/1021217974.db2.gz ILIFAHYIJLKTQH-JTQLQIEISA-N -1 0 308.338 -0.117 20 0 DBADRM C[C@@H](C(=O)N(C)CCNc1ccnc(C(=O)[O-])n1)n1cccn1 ZINC001589339486 1021218181 /nfs/dbraw/zinc/21/81/81/1021218181.db2.gz BBBDTPJZBUYNJW-JTQLQIEISA-N -1 0 318.337 -0.075 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)N1CCNCC1=O ZINC001589357159 1021219950 /nfs/dbraw/zinc/21/99/50/1021219950.db2.gz WEJBRFYDOBIMNX-NEPJUHHUSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)[C@@H](C)S(C)(=O)=O ZINC001589360341 1021221191 /nfs/dbraw/zinc/22/11/91/1021221191.db2.gz KKMWVBOTSDLLOS-IVZWLZJFSA-N -1 0 307.368 -0.242 20 0 DBADRM C[C@@H](C(=O)N1CC[C@H]1C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001589357157 1021221754 /nfs/dbraw/zinc/22/17/54/1021221754.db2.gz VYMWNBGMNRFNFL-WPRPVWTQSA-N -1 0 305.352 -0.346 20 0 DBADRM C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@](O)(C(=O)[O-])C1 ZINC001589373122 1021222292 /nfs/dbraw/zinc/22/22/92/1021222292.db2.gz BCZKUTVDQSXWLT-AMIZOPFISA-N -1 0 301.343 -0.479 20 0 DBADRM C[C@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)[C@@H](C)S(C)(=O)=O ZINC001589360339 1021223101 /nfs/dbraw/zinc/22/31/01/1021223101.db2.gz KKMWVBOTSDLLOS-AEJSXWLSSA-N -1 0 307.368 -0.242 20 0 DBADRM C[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C(=O)[O-] ZINC001589393836 1021226666 /nfs/dbraw/zinc/22/66/66/1021226666.db2.gz WOULMSKNASVZSX-IUCAKERBSA-N -1 0 309.322 -0.733 20 0 DBADRM C[C@@H](C(=O)NC1(C(=O)[O-])CC1)N1C(=O)NC2(CCCC2)C1=O ZINC001589387427 1021228794 /nfs/dbraw/zinc/22/87/94/1021228794.db2.gz HSRCWPVEJQJIPF-QMMMGPOBSA-N -1 0 309.322 -0.027 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC(N2CCCNC2=O)CC1 ZINC001589396483 1021232979 /nfs/dbraw/zinc/23/29/79/1021232979.db2.gz FWPOQFYAJBIAAC-JTQLQIEISA-N -1 0 312.370 -0.545 20 0 DBADRM C[C@H](C(=O)NCCNc1ccnc(C(=O)[O-])n1)[C@@H]1CCCO1 ZINC001589409568 1021234968 /nfs/dbraw/zinc/23/49/68/1021234968.db2.gz GMIIZNPZGZBQQR-UWVGGRQHSA-N -1 0 308.338 -0.060 20 0 DBADRM CC(C(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1)=C1CCC1 ZINC001589403192 1021235337 /nfs/dbraw/zinc/23/53/37/1021235337.db2.gz BNLHGYAZYASQLM-NSHDSACASA-N -1 0 320.349 -0.014 20 0 DBADRM C[C@H](C(=O)NC[C@H](Cc1ccncc1)C(=O)[O-])S(C)(=O)=O ZINC001589403361 1021235750 /nfs/dbraw/zinc/23/57/50/1021235750.db2.gz HFJPIIKLDLWDLT-KOLCDFICSA-N -1 0 314.363 -0.126 20 0 DBADRM C[C@H](C(=O)NC[C@@H](O)CC(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC001589403289 1021239767 /nfs/dbraw/zinc/23/97/67/1021239767.db2.gz FLXHKTCOONCHPB-KOLCDFICSA-N -1 0 319.321 -0.147 20 0 DBADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1F)N1CCNCC1=O ZINC001589414768 1021239989 /nfs/dbraw/zinc/23/99/89/1021239989.db2.gz LUFSSYKQVCSYKR-VIFPVBQESA-N -1 0 323.324 -0.040 20 0 DBADRM C[C@H](C(=O)NCCN(C)c1ncc(C(=O)[O-])cn1)n1cncn1 ZINC001589410209 1021240569 /nfs/dbraw/zinc/24/05/69/1021240569.db2.gz XKMYJNUPLDTOCG-SECBINFHSA-N -1 0 319.325 -0.420 20 0 DBADRM C[C@H](C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1)C1CCC1 ZINC001589404447 1021240884 /nfs/dbraw/zinc/24/08/84/1021240884.db2.gz PDIMKEKKUZXHEU-GXSJLCMTSA-N -1 0 322.365 -0.078 20 0 DBADRM C[C@H](C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1)N1CCNCC1=O ZINC001589431082 1021244447 /nfs/dbraw/zinc/24/44/47/1021244447.db2.gz WMYKVNLRLIHRCJ-UEKVPHQBSA-N -1 0 311.382 -0.044 20 0 DBADRM C[C@H](C(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-])c1cnn(C)c1 ZINC001589429616 1021244594 /nfs/dbraw/zinc/24/45/94/1021244594.db2.gz OCERDOHJZBFAFA-ZETCQYMHSA-N -1 0 323.309 -0.045 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001589422714 1021244671 /nfs/dbraw/zinc/24/46/71/1021244671.db2.gz APZDHLNKQUZOBB-XGEHTFHBSA-N -1 0 322.383 -0.850 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001589459471 1021245559 /nfs/dbraw/zinc/24/55/59/1021245559.db2.gz DDNGWYIERBVQKD-VXGBXAGGSA-N -1 0 321.337 -0.035 20 0 DBADRM C[C@H](C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)n1cnc2c1ncnc2N ZINC001589431442 1021245919 /nfs/dbraw/zinc/24/59/19/1021245919.db2.gz XXXBDGGREBVBHT-BWZBUEFSSA-N -1 0 304.310 -0.051 20 0 DBADRM C[C@@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)n1cnc2c1ncnc2N ZINC001589423945 1021247502 /nfs/dbraw/zinc/24/75/02/1021247502.db2.gz XXXBDGGREBVBHT-BIIVOSGPSA-N -1 0 304.310 -0.051 20 0 DBADRM CC(C)[C@@H](C)C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001589432727 1021247719 /nfs/dbraw/zinc/24/77/19/1021247719.db2.gz MPLYUTBJBWDRKE-SECBINFHSA-N -1 0 304.358 -0.101 20 0 DBADRM CC(C)[C@@H](O)CNS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001589480559 1021250567 /nfs/dbraw/zinc/25/05/67/1021250567.db2.gz PCNCJYHXCJZBGW-QMMMGPOBSA-N -1 0 312.355 -0.443 20 0 DBADRM CC(C)[C@H](OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(N)=O ZINC001589479632 1021251756 /nfs/dbraw/zinc/25/17/56/1021251756.db2.gz GYCPCQVVQYRNEI-RQJHMYQMSA-N -1 0 308.302 -0.928 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N(CC(F)F)[C@@H](C)C(=O)[O-] ZINC001589486997 1021253737 /nfs/dbraw/zinc/25/37/37/1021253737.db2.gz XCSACFBEKFUGNC-NKWVEPMBSA-N -1 0 316.326 -0.167 20 0 DBADRM CC(C)[C@@H](O)CCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589476175 1021255400 /nfs/dbraw/zinc/25/54/00/1021255400.db2.gz NAEVVJKZJJNLKG-IUCAKERBSA-N -1 0 308.346 -0.458 20 0 DBADRM CC(C)[C@H]1C[C@H]1C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001589501380 1021257665 /nfs/dbraw/zinc/25/76/65/1021257665.db2.gz FMNJSIKVIXMWJV-NXEZZACHSA-N -1 0 316.369 -0.101 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)CN1C(=O)c2cccnc2S1(=O)=O ZINC001589582558 1021261324 /nfs/dbraw/zinc/26/13/24/1021261324.db2.gz CPUFKIDVNXEBKA-UHFFFAOYSA-N -1 0 312.303 -0.094 20 0 DBADRM CC(C)C[C@@H](CO)N(C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001589562748 1021262564 /nfs/dbraw/zinc/26/25/64/1021262564.db2.gz MADXMFVGAUORGH-VIFPVBQESA-N -1 0 308.346 -0.676 20 0 DBADRM CC(C)(C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)N1CCOCC1 ZINC001589560767 1021264018 /nfs/dbraw/zinc/26/40/18/1021264018.db2.gz PWYLNVHKUFTXQB-GFCCVEGCSA-N -1 0 314.382 -0.219 20 0 DBADRM CC(C)(C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-])S(C)(=O)=O ZINC001589567483 1021264295 /nfs/dbraw/zinc/26/42/95/1021264295.db2.gz QUWIRIBEJZISSY-QMMMGPOBSA-N -1 0 323.367 -0.468 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)N2CCC(O)CC2)cn1 ZINC001589660898 1021266424 /nfs/dbraw/zinc/26/64/24/1021266424.db2.gz UKUUJDNYISAKGK-UHFFFAOYSA-N -1 0 324.337 -0.375 20 0 DBADRM CC(C)(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001589685209 1021277857 /nfs/dbraw/zinc/27/78/57/1021277857.db2.gz VTHOACFLVTYBND-VHSXEESVSA-N -1 0 310.350 -0.007 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)NCCn2ncnn2)cn1 ZINC001589666557 1021278959 /nfs/dbraw/zinc/27/89/59/1021278959.db2.gz VEZIKZDGYIEZSP-UHFFFAOYSA-N -1 0 308.302 -0.489 20 0 DBADRM CC(C)(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001589685206 1021283958 /nfs/dbraw/zinc/28/39/58/1021283958.db2.gz VTHOACFLVTYBND-NXEZZACHSA-N -1 0 310.350 -0.007 20 0 DBADRM CC(C)(C)C(=O)NCCNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001589692746 1021284144 /nfs/dbraw/zinc/28/41/44/1021284144.db2.gz DNFADNJLKZDXDF-UHFFFAOYSA-N -1 0 318.355 -0.452 20 0 DBADRM CC(C)(C(N)=O)C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001589681882 1021284391 /nfs/dbraw/zinc/28/43/91/1021284391.db2.gz JHOYMZUSZFESGP-UHFFFAOYSA-N -1 0 300.311 -0.636 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N[C@H](CF)C(=O)[O-])C1 ZINC001589689533 1021284516 /nfs/dbraw/zinc/28/45/16/1021284516.db2.gz GQHLBXRKCQDXCP-RKDXNWHRSA-N -1 0 304.318 -0.201 20 0 DBADRM CC(C)OC(=O)CCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589733120 1021287175 /nfs/dbraw/zinc/28/71/75/1021287175.db2.gz DLZKXVRKYPMAAA-MRVPVSSYSA-N -1 0 322.329 -0.523 20 0 DBADRM CC(C)N1C(=O)C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1=O ZINC001589709655 1021289632 /nfs/dbraw/zinc/28/96/32/1021289632.db2.gz RSVZASLPURXSGD-SSDOTTSWSA-N -1 0 302.298 -0.974 20 0 DBADRM CC(C)(C)[C@H](O)C[C@@H](CO)NS(=O)(=O)CCCC(=O)[O-] ZINC001589723120 1021291347 /nfs/dbraw/zinc/29/13/47/1021291347.db2.gz SRQJNMWTYJFYNT-VHSXEESVSA-N -1 0 311.400 -0.071 20 0 DBADRM CC(C)(C)[C@@H]1CCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C[C@@H]1O ZINC001589732461 1021292321 /nfs/dbraw/zinc/29/23/21/1021292321.db2.gz NFRKGFFLTLVVLN-UTLUCORTSA-N -1 0 318.345 -0.219 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)OCCCC(=O)C(=O)[O-] ZINC001589719482 1021294885 /nfs/dbraw/zinc/29/48/85/1021294885.db2.gz HSQPIEHIZUXIMT-VIFPVBQESA-N -1 0 323.367 -0.073 20 0 DBADRM CC(C)(C)[C@H]1CNC(=O)CN1C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001589733963 1021295452 /nfs/dbraw/zinc/29/54/52/1021295452.db2.gz CIBYAZZVJLTKFK-SNVBAGLBSA-N -1 0 308.338 -0.046 20 0 DBADRM CC(C)OC(=O)COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589733248 1021297455 /nfs/dbraw/zinc/29/74/55/1021297455.db2.gz JFGZPKNSJHJBRZ-SSDOTTSWSA-N -1 0 309.286 -0.486 20 0 DBADRM C[C@H](C1CC1)N(C)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001589787137 1021300835 /nfs/dbraw/zinc/30/08/35/1021300835.db2.gz PUHNHVQDYQBHRK-SSDOTTSWSA-N -1 0 319.325 -0.614 20 0 DBADRM CC(C)(C)CC(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001589740948 1021301538 /nfs/dbraw/zinc/30/15/38/1021301538.db2.gz SSBWSDFOKCIJLF-VIFPVBQESA-N -1 0 310.354 -0.078 20 0 DBADRM CC(C)(C)C[C@H](O)CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001589756684 1021304344 /nfs/dbraw/zinc/30/43/44/1021304344.db2.gz CQUJKOLPESKYCK-NXEZZACHSA-N -1 0 321.395 -0.116 20 0 DBADRM CC(C)OCCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001589748706 1021304969 /nfs/dbraw/zinc/30/49/69/1021304969.db2.gz JJJMYBGFYDIWLZ-UHFFFAOYSA-N -1 0 309.330 -0.899 20 0 DBADRM CC(C)[C@@H]1C[C@H]1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589763476 1021305550 /nfs/dbraw/zinc/30/55/50/1021305550.db2.gz PWIPWRDNKSYQTH-DTWKUNHWSA-N -1 0 305.346 -0.198 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001589835216 1021312374 /nfs/dbraw/zinc/31/23/74/1021312374.db2.gz XIGLETWTNOMJOP-RGOKHQFPSA-N -1 0 318.395 -0.070 20 0 DBADRM CC(C)(C)NC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001589823809 1021314437 /nfs/dbraw/zinc/31/44/37/1021314437.db2.gz UPOCZNLIEGOEAW-MNOVXSKESA-N -1 0 311.382 -0.234 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001589838961 1021315955 /nfs/dbraw/zinc/31/59/55/1021315955.db2.gz DVXJDBSFHPTZRO-RKDXNWHRSA-N -1 0 321.399 -0.276 20 0 DBADRM C[C@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)Cn1ccnc1 ZINC001589858319 1021318391 /nfs/dbraw/zinc/31/83/91/1021318391.db2.gz OSQZXXWWTGVVNF-SECBINFHSA-N -1 0 316.329 -0.893 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1COCCN1CC(=O)NCCC(=O)[O-] ZINC001589866440 1021326140 /nfs/dbraw/zinc/32/61/40/1021326140.db2.gz OBMVUVYMJTYCGO-JTQLQIEISA-N -1 0 316.354 -0.380 20 0 DBADRM CC(C)(C)OC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001589889602 1021331206 /nfs/dbraw/zinc/33/12/06/1021331206.db2.gz APYQKPUCUKLXBT-UHFFFAOYSA-N -1 0 305.312 -0.272 20 0 DBADRM CC(C)(C)OC(=O)Cn1cc(C(=O)N2CC(C(=O)[O-])C2)nn1 ZINC001589901387 1021335495 /nfs/dbraw/zinc/33/54/95/1021335495.db2.gz OBWFVJPTKRIPDC-UHFFFAOYSA-N -1 0 310.310 -0.224 20 0 DBADRM C[C@H](NC(=O)NCCn1cnc(-c2nnn[n-]2)n1)c1ccc[nH]1 ZINC001589935819 1021337778 /nfs/dbraw/zinc/33/77/78/1021337778.db2.gz MMPKFMGGKFZGHI-QMMMGPOBSA-N -1 0 316.329 -0.153 20 0 DBADRM CC(C)(C)OC(=O)N1CC(OC(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001589939548 1021338315 /nfs/dbraw/zinc/33/83/15/1021338315.db2.gz BKDPKVUVLTXYCW-UHFFFAOYSA-N -1 0 316.310 -0.126 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)c1ncon1)n1cnc(-c2nnn[n-]2)n1 ZINC001589917653 1021340807 /nfs/dbraw/zinc/34/08/07/1021340807.db2.gz HICKBTVENPZDGU-NTSWFWBYSA-N -1 0 304.274 -0.720 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001589928909 1021341000 /nfs/dbraw/zinc/34/10/00/1021341000.db2.gz MRPRNQBCTAQPIY-SECBINFHSA-N -1 0 314.338 -0.099 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(F)c1)C(=O)[O-] ZINC001589972901 1021346530 /nfs/dbraw/zinc/34/65/30/1021346530.db2.gz BQRSMKFOFXXENF-RXMQYKEDSA-N -1 0 315.286 -0.243 20 0 DBADRM C[C@](O)(CC(=O)NCCn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001589989135 1021346907 /nfs/dbraw/zinc/34/69/07/1021346907.db2.gz DOGFKKZIBKHGKG-LBPRGKRZSA-N -1 0 306.330 -0.875 20 0 DBADRM C[C@](O)(CNc1nc2ccccn2c1-c1nn[nH]n1)C(=O)[O-] ZINC001589989177 1021348642 /nfs/dbraw/zinc/34/86/42/1021348642.db2.gz AAAASTLNMZTAMF-LBPRGKRZSA-N -1 0 303.282 -0.238 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)c1ncn(C)n1 ZINC001589976212 1021349075 /nfs/dbraw/zinc/34/90/75/1021349075.db2.gz NVTVMPASDQSSNP-LURJTMIESA-N -1 0 324.326 -0.372 20 0 DBADRM C[C@H](O)[C@@H]1CCCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001589994637 1021349589 /nfs/dbraw/zinc/34/95/89/1021349589.db2.gz HABUTCXPHMVAGS-IUCAKERBSA-N -1 0 306.330 -0.780 20 0 DBADRM C[C@H](O)[C@H]1CCCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001589993884 1021350003 /nfs/dbraw/zinc/35/00/03/1021350003.db2.gz AXWSRHIMSUBRDU-GUBZILKMSA-N -1 0 320.357 -0.361 20 0 DBADRM C[C@@H](O)CC(C)(C)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589994148 1021351652 /nfs/dbraw/zinc/35/16/52/1021351652.db2.gz CUWCGGVKIOWOPH-BDAKNGLRSA-N -1 0 322.373 -0.068 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC001590065541 1021374450 /nfs/dbraw/zinc/37/44/50/1021374450.db2.gz VKKRORQEKCVTGB-DTWKUNHWSA-N -1 0 318.326 -0.816 20 0 DBADRM C[C@H](c1nc(-c2cn(C)nn2)no1)n1cnc(-c2nnn[n-]2)n1 ZINC001590054406 1021375033 /nfs/dbraw/zinc/37/50/33/1021375033.db2.gz SDQWQDKUAOTAIP-RXMQYKEDSA-N -1 0 314.273 -0.754 20 0 DBADRM CC1(C)CC[C@@H](CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)OC1 ZINC001590089606 1021379899 /nfs/dbraw/zinc/37/98/99/1021379899.db2.gz SBBIAVXXXPZYKP-VIFPVBQESA-N -1 0 320.357 -0.220 20 0 DBADRM CC1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)COC1 ZINC001590068620 1021381023 /nfs/dbraw/zinc/38/10/23/1021381023.db2.gz MKEQAXMPKYURNG-UHFFFAOYSA-N -1 0 324.322 -0.897 20 0 DBADRM CC1(C)CC[C@H](CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)OC1 ZINC001590089605 1021381323 /nfs/dbraw/zinc/38/13/23/1021381323.db2.gz SBBIAVXXXPZYKP-SECBINFHSA-N -1 0 320.357 -0.220 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2(C(=O)[O-])CC2)[C@@H](O)C1 ZINC001590097118 1021381716 /nfs/dbraw/zinc/38/17/16/1021381716.db2.gz GNUBDJFKHODCEL-BDAKNGLRSA-N -1 0 314.338 -0.052 20 0 DBADRM CC1(C)CN(C(=O)Cn2cnc(-c3nnn[n-]3)cc2=O)CCO1 ZINC001590102288 1021382025 /nfs/dbraw/zinc/38/20/25/1021382025.db2.gz LUBIJMUHKKLGCP-UHFFFAOYSA-N -1 0 319.325 -0.939 20 0 DBADRM CC1(C)CCC[C@@]1(O)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590096544 1021383009 /nfs/dbraw/zinc/38/30/09/1021383009.db2.gz HBYONSHOFATYHZ-CYBMUJFWSA-N -1 0 320.357 -0.484 20 0 DBADRM C[C@@]1(C2CC2)CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001590121785 1021388002 /nfs/dbraw/zinc/38/80/02/1021388002.db2.gz DMZHHMKSTJRPBP-ZDUSSCGKSA-N -1 0 318.341 -0.514 20 0 DBADRM C[C@@]1(O)CCCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590149998 1021397134 /nfs/dbraw/zinc/39/71/34/1021397134.db2.gz FYMDSJNZRJKPKC-GFCCVEGCSA-N -1 0 321.345 -0.985 20 0 DBADRM CC1=CCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001590160594 1021398701 /nfs/dbraw/zinc/39/87/01/1021398701.db2.gz OWFVOZUUPDXQGO-UHFFFAOYSA-N -1 0 303.326 -0.580 20 0 DBADRM CC1(O)CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)CC1 ZINC001590151019 1021399242 /nfs/dbraw/zinc/39/92/42/1021399242.db2.gz XALXDYIPGJXSAQ-UHFFFAOYSA-N -1 0 324.366 -0.203 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001590206183 1021427683 /nfs/dbraw/zinc/42/76/83/1021427683.db2.gz GZZZCVZSMHNMJQ-VGMNWLOBSA-N -1 0 302.327 -0.149 20 0 DBADRM CC1CC(Cn2c(=O)c(-c3nnn[n-]3)cn(CCO)c2=O)C1 ZINC001590191269 1021419957 /nfs/dbraw/zinc/41/99/57/1021419957.db2.gz FFAHYUIVKTWCDK-UHFFFAOYSA-N -1 0 306.326 -0.772 20 0 DBADRM C[C@H]1CC(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001590202174 1021424702 /nfs/dbraw/zinc/42/47/02/1021424702.db2.gz WQCNBRBYARCFSC-YUMQZZPRSA-N -1 0 306.330 -0.470 20 0 DBADRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590218388 1021427356 /nfs/dbraw/zinc/42/73/56/1021427356.db2.gz KFKGUEOSQWUKOD-IMSYWVGJSA-N -1 0 302.342 -0.134 20 0 DBADRM C[C@@H]1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@@H](C)O1 ZINC001590208479 1021429009 /nfs/dbraw/zinc/42/90/09/1021429009.db2.gz WUKJCAZWWFOXPD-QYNIQEEDSA-N -1 0 307.314 -0.356 20 0 DBADRM C[C@@H]1C[C@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CS1 ZINC001590209060 1021430007 /nfs/dbraw/zinc/43/00/07/1021430007.db2.gz ZFNOUBUXQHTDNK-RQJHMYQMSA-N -1 0 323.382 -0.430 20 0 DBADRM C[C@@H]1CC[C@@H](CCC(=O)NCCn2cnc(-c3nnn[n-]3)n2)O1 ZINC001590227731 1021433804 /nfs/dbraw/zinc/43/38/04/1021433804.db2.gz BVVLSUWYZVJCOS-ZJUUUORDSA-N -1 0 320.357 -0.078 20 0 DBADRM C[C@H]1CC[C@H](CCC(=O)NCCn2cnc(-c3nnn[n-]3)n2)O1 ZINC001590227730 1021435642 /nfs/dbraw/zinc/43/56/42/1021435642.db2.gz BVVLSUWYZVJCOS-VHSXEESVSA-N -1 0 320.357 -0.078 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H]1C[C@@H](O)C1 ZINC001590246554 1021438276 /nfs/dbraw/zinc/43/82/76/1021438276.db2.gz LBQAZHHUKBPCAG-YIZRAAEISA-N -1 0 302.327 -0.006 20 0 DBADRM C[C@H]1CCCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001590253539 1021438853 /nfs/dbraw/zinc/43/88/53/1021438853.db2.gz GHIHQADAJQSYHV-VIFPVBQESA-N -1 0 319.369 -0.110 20 0 DBADRM C[C@H]1CCCN(C(=O)Cn2cncc(-c3nnn[n-]3)c2=O)C1 ZINC001590259823 1021439599 /nfs/dbraw/zinc/43/95/99/1021439599.db2.gz BVAPXPDOAAYVAF-VIFPVBQESA-N -1 0 303.326 -0.318 20 0 DBADRM C[C@H](C(=O)N1CCO[C@H](C)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001590263651 1021440154 /nfs/dbraw/zinc/44/01/54/1021440154.db2.gz OIIMTWUPDNMXJM-RKDXNWHRSA-N -1 0 306.330 -0.343 20 0 DBADRM C[C@@H](C(=O)N1C[C@@H](C)OC[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590283142 1021441695 /nfs/dbraw/zinc/44/16/95/1021441695.db2.gz FPWQHKKFIKCISH-YIZRAAEISA-N -1 0 306.330 -0.345 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@@H](C2CC2)O1 ZINC001590291123 1021443656 /nfs/dbraw/zinc/44/36/56/1021443656.db2.gz JLRFJNQVNTXIEG-WPRPVWTQSA-N -1 0 318.341 -0.516 20 0 DBADRM C[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CCS1 ZINC001590276669 1021444312 /nfs/dbraw/zinc/44/43/12/1021444312.db2.gz OTNPPJUYZZHHMC-ZETCQYMHSA-N -1 0 323.382 -0.415 20 0 DBADRM C[C@@H](C(=O)N1CCOC[C@H](C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001590326332 1021461557 /nfs/dbraw/zinc/46/15/57/1021461557.db2.gz OHJAUUCUTQPLEG-BDAKNGLRSA-N -1 0 306.330 -0.486 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001590328134 1021464088 /nfs/dbraw/zinc/46/40/88/1021464088.db2.gz DJXCOXLUZWWSOW-SECBINFHSA-N -1 0 324.366 -0.895 20 0 DBADRM C[C@H](C(=O)N1CCCOC[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590326075 1021465362 /nfs/dbraw/zinc/46/53/62/1021465362.db2.gz NKOBBEWFEOJAJS-DTWKUNHWSA-N -1 0 306.330 -0.343 20 0 DBADRM CCC(=O)N1C[C@H](C)[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590359944 1021471879 /nfs/dbraw/zinc/47/18/79/1021471879.db2.gz QQJKXNSKTHZEQI-UWVGGRQHSA-N -1 0 316.369 -0.005 20 0 DBADRM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)CCC(N)=O ZINC001590341354 1021472213 /nfs/dbraw/zinc/47/22/13/1021472213.db2.gz NEMUDAMWQXFYOK-QMMMGPOBSA-N -1 0 302.327 -0.057 20 0 DBADRM C/C=C(/CC)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590351054 1021472892 /nfs/dbraw/zinc/47/28/92/1021472892.db2.gz XABOBVDURMAZOU-BAQGIRSFSA-N -1 0 319.325 -0.399 20 0 DBADRM CCC(C)(C)OCCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590379413 1021476557 /nfs/dbraw/zinc/47/65/57/1021476557.db2.gz ZFWJHEQEXBQRPC-UHFFFAOYSA-N -1 0 308.346 -0.220 20 0 DBADRM CC(C)(C)OCCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001590382970 1021476707 /nfs/dbraw/zinc/47/67/07/1021476707.db2.gz VJXXBVMBFLVQBQ-SNVBAGLBSA-N -1 0 316.354 -0.380 20 0 DBADRM CCC(=O)N1CCO[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590362746 1021480980 /nfs/dbraw/zinc/48/09/80/1021480980.db2.gz XSEKIFKAKKZFEN-SECBINFHSA-N -1 0 318.341 -0.872 20 0 DBADRM CCC(=O)[C@@H]1CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590364725 1021483081 /nfs/dbraw/zinc/48/30/81/1021483081.db2.gz GUQCORSYYSNBAO-QMMMGPOBSA-N -1 0 304.314 -0.572 20 0 DBADRM CC/C(C)=C\C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001590388677 1021485631 /nfs/dbraw/zinc/48/56/31/1021485631.db2.gz LFXPSTJJDOBAAU-HJWRWDBZSA-N -1 0 302.342 -0.037 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001590422109 1021486151 /nfs/dbraw/zinc/48/61/51/1021486151.db2.gz FYMZRXVNNXOXRR-LBPRGKRZSA-N -1 0 307.368 -0.050 20 0 DBADRM CC[C@@H](C)OCC(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001590415524 1021489145 /nfs/dbraw/zinc/48/91/45/1021489145.db2.gz GPGSSXPXSCXLRE-SECBINFHSA-N -1 0 320.357 -0.578 20 0 DBADRM CC[C@H](C[C@H](C)CO)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590426159 1021489414 /nfs/dbraw/zinc/48/94/14/1021489414.db2.gz WGGYIXUCSWFNLX-LPEHRKFASA-N -1 0 322.373 -0.068 20 0 DBADRM CC[C@H](CO)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001590448809 1021495257 /nfs/dbraw/zinc/49/52/57/1021495257.db2.gz LIVYJTRPADTEFH-SNVBAGLBSA-N -1 0 320.353 -0.012 20 0 DBADRM CC[C@H](NC(=O)NCCn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001590456440 1021501599 /nfs/dbraw/zinc/50/15/99/1021501599.db2.gz FYMRFSXBXXRPGR-VIFPVBQESA-N -1 0 305.346 -0.054 20 0 DBADRM CC[C@H](COC)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590449085 1021501783 /nfs/dbraw/zinc/50/17/83/1021501783.db2.gz QWULDVDFONRZBK-MRVPVSSYSA-N -1 0 309.334 -0.818 20 0 DBADRM CCC(O)(CC)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590473092 1021509877 /nfs/dbraw/zinc/50/98/77/1021509877.db2.gz CFOCKBGQHXZWLV-QMMMGPOBSA-N -1 0 308.346 -0.314 20 0 DBADRM CC[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590500140 1021510261 /nfs/dbraw/zinc/51/02/61/1021510261.db2.gz OWTWGEXYNKISGQ-JTQLQIEISA-N -1 0 316.321 -0.077 20 0 DBADRM CC[C@@]1(O)CCCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001590499303 1021513459 /nfs/dbraw/zinc/51/34/59/1021513459.db2.gz DDMQRYGBFVPKFA-TVQRCGJNSA-N -1 0 320.357 -0.217 20 0 DBADRM CCC[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)OC ZINC001590558216 1021516243 /nfs/dbraw/zinc/51/62/43/1021516243.db2.gz ZUMPFUTWOZJNQP-ZETCQYMHSA-N -1 0 309.330 -0.107 20 0 DBADRM CCCCCC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590585324 1021517215 /nfs/dbraw/zinc/51/72/15/1021517215.db2.gz BDSPXCBEFSVPCM-UHFFFAOYSA-N -1 0 321.341 -0.175 20 0 DBADRM CC(C)(C)c1nnc2n1CCN(CC(=O)NCCC(=O)[O-])C2 ZINC001590580286 1021517961 /nfs/dbraw/zinc/51/79/61/1021517961.db2.gz FPXMYMFNHULNMC-UHFFFAOYSA-N -1 0 309.370 -0.018 20 0 DBADRM CC(C)(C)c1nnc(C(=O)NCC(=O)NCC(=O)[O-])s1 ZINC001590565402 1021521837 /nfs/dbraw/zinc/52/18/37/1021521837.db2.gz GPMNRXIQMPXOAD-UHFFFAOYSA-N -1 0 300.340 -0.234 20 0 DBADRM CC[C@H]1COCCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590525082 1021522338 /nfs/dbraw/zinc/52/23/38/1021522338.db2.gz DWJWKGTUBGGMCT-VIFPVBQESA-N -1 0 321.345 -0.721 20 0 DBADRM CCCN(CC(=O)NC)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590620145 1021523936 /nfs/dbraw/zinc/52/39/36/1021523936.db2.gz HBYYKOOJPKBKCK-QMMMGPOBSA-N -1 0 321.345 -0.996 20 0 DBADRM CC(C)(C)n1[nH]cnc1=NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001590609257 1021527891 /nfs/dbraw/zinc/52/78/91/1021527891.db2.gz FQRAUFQBJBJDLH-UHFFFAOYSA-N -1 0 319.321 -0.046 20 0 DBADRM CC(C)(C)n1nccc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001590605274 1021528589 /nfs/dbraw/zinc/52/85/89/1021528589.db2.gz VMSLUTPYAWXIOX-QMMMGPOBSA-N -1 0 312.326 -0.472 20 0 DBADRM CC(C)(CCNC(=O)N1CCO[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC001590675920 1021532199 /nfs/dbraw/zinc/53/21/99/1021532199.db2.gz VBBUPMVFKSSICZ-VIFPVBQESA-N -1 0 322.383 -0.305 20 0 DBADRM CC(C)(CCNC(=O)N1CCO[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC001590675919 1021534462 /nfs/dbraw/zinc/53/44/62/1021534462.db2.gz VBBUPMVFKSSICZ-SECBINFHSA-N -1 0 322.383 -0.305 20 0 DBADRM CC(C)(CCN1CCOC[C@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC001590671109 1021536596 /nfs/dbraw/zinc/53/65/96/1021536596.db2.gz OQIHYXHPQHFNGF-SNVBAGLBSA-N -1 0 308.400 -0.263 20 0 DBADRM CCN(C[C@H]1CCOC1)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590690938 1021541342 /nfs/dbraw/zinc/54/13/42/1021541342.db2.gz MXQXVDLFENTHCC-NXEZZACHSA-N -1 0 320.357 -0.096 20 0 DBADRM CCN(CC(=O)NC)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590681815 1021544269 /nfs/dbraw/zinc/54/42/69/1021544269.db2.gz PESNFILGDRYVQR-UHFFFAOYSA-N -1 0 314.327 -0.784 20 0 DBADRM CCN1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CC1=O ZINC001590728301 1021553211 /nfs/dbraw/zinc/55/32/11/1021553211.db2.gz CEUXRKGALXWTTL-VIFPVBQESA-N -1 0 316.321 -0.077 20 0 DBADRM CC(C)(CNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)CC(=O)[O-] ZINC001590716487 1021555862 /nfs/dbraw/zinc/55/58/62/1021555862.db2.gz ALUFPPNQMIJMSR-SECBINFHSA-N -1 0 321.399 -0.050 20 0 DBADRM CC(C)(CNC(=O)N1CCC[C@@H]1CS(N)(=O)=O)C(=O)[O-] ZINC001590717800 1021558417 /nfs/dbraw/zinc/55/84/17/1021558417.db2.gz VYBWUJDWANJCHK-MRVPVSSYSA-N -1 0 307.372 -0.440 20 0 DBADRM CCNC(=O)CNS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001590741872 1021562990 /nfs/dbraw/zinc/56/29/90/1021562990.db2.gz PKRGVZZQGGGFHM-UHFFFAOYSA-N -1 0 316.368 -0.657 20 0 DBADRM CCNC(=O)CCOC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590741219 1021564486 /nfs/dbraw/zinc/56/44/86/1021564486.db2.gz PTBQTGMYKWDKNS-ZETCQYMHSA-N -1 0 308.302 -0.911 20 0 DBADRM CCOC(=O)[C@@H](C)COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590750686 1021567403 /nfs/dbraw/zinc/56/74/03/1021567403.db2.gz LSQJIXFKYHMKET-JGVFFNPUSA-N -1 0 323.313 -0.238 20 0 DBADRM CC(C)(CNC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001590757661 1021567711 /nfs/dbraw/zinc/56/77/11/1021567711.db2.gz XEBGVUSPJJFPAM-UHFFFAOYSA-N -1 0 301.324 -0.430 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590744219 1021569536 /nfs/dbraw/zinc/56/95/36/1021569536.db2.gz VQPIBBXKSAFNTB-UHFFFAOYSA-N -1 0 308.254 -0.538 20 0 DBADRM CS(=O)(=O)CC1(C(=O)[N-]OCc2cccnc2)COC1 ZINC001519816208 1021575896 /nfs/dbraw/zinc/57/58/96/1021575896.db2.gz AYZDJRCFINWNNU-UHFFFAOYSA-N -1 0 300.336 -0.309 20 0 DBADRM CCO[C@H](C(=O)NCCn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001590778807 1021576225 /nfs/dbraw/zinc/57/62/25/1021576225.db2.gz FEDHDBSXMSYGEX-VIFPVBQESA-N -1 0 306.330 -0.611 20 0 DBADRM CCOC(=O)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590767420 1021577283 /nfs/dbraw/zinc/57/72/83/1021577283.db2.gz LDUMXQLURVAXJC-QMMMGPOBSA-N -1 0 304.314 -0.279 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001590770606 1021579340 /nfs/dbraw/zinc/57/93/40/1021579340.db2.gz BYERIWCHFUIFMU-NKWVEPMBSA-N -1 0 306.282 -0.672 20 0 DBADRM CC(C)(CS(=O)(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1)C(=O)[O-] ZINC001590797695 1021581087 /nfs/dbraw/zinc/58/10/87/1021581087.db2.gz AHPAQBWSPSARHN-DTWKUNHWSA-N -1 0 320.367 -0.143 20 0 DBADRM CC(C)(CS(=O)(=O)N1CC(N2CCCC2=O)C1)C(=O)[O-] ZINC001590788597 1021582210 /nfs/dbraw/zinc/58/22/10/1021582210.db2.gz FPDDIIJZPXVEPC-UHFFFAOYSA-N -1 0 304.368 -0.266 20 0 DBADRM CCOC(CC(=O)NCCn1cnc(-c2nnn[n-]2)n1)OCC ZINC001590798463 1021583515 /nfs/dbraw/zinc/58/35/15/1021583515.db2.gz OGGUJPZIMVRBET-UHFFFAOYSA-N -1 0 324.345 -0.636 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCC(NC(N)=O)CC1)C(=O)[O-] ZINC001590788457 1021584515 /nfs/dbraw/zinc/58/45/15/1021584515.db2.gz BOOIYHYLYZWSLJ-UHFFFAOYSA-N -1 0 307.372 -0.440 20 0 DBADRM CCOCCCCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590811433 1021588481 /nfs/dbraw/zinc/58/84/81/1021588481.db2.gz UUIJLRPVHQDWCC-UHFFFAOYSA-N -1 0 309.330 -0.105 20 0 DBADRM CCOCCN(CC)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590812737 1021588885 /nfs/dbraw/zinc/58/88/85/1021588885.db2.gz KFFBTGSMFYHFHR-VIFPVBQESA-N -1 0 308.346 -0.096 20 0 DBADRM CC(C)(Cc1cn(C[C@@H](O)CN2CCOCC2)nn1)C(=O)[O-] ZINC001590827523 1021593717 /nfs/dbraw/zinc/59/37/17/1021593717.db2.gz SHBYYPCMYBNHTQ-LBPRGKRZSA-N -1 0 312.370 -0.376 20 0 DBADRM CCO[C@H]1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001590822335 1021594196 /nfs/dbraw/zinc/59/41/96/1021594196.db2.gz JEYZCHHEBJILOL-LJGSYFOKSA-N -1 0 307.314 -0.355 20 0 DBADRM CCON(C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C(C)C ZINC001590818353 1021595781 /nfs/dbraw/zinc/59/57/81/1021595781.db2.gz GHPKKRCMQYGWFK-UHFFFAOYSA-N -1 0 323.313 -0.683 20 0 DBADRM CC(C)(F)C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001590826802 1021597080 /nfs/dbraw/zinc/59/70/80/1021597080.db2.gz KQAKGCYOQROICB-SSDOTTSWSA-N -1 0 300.290 -0.766 20 0 DBADRM CC(C)(O)CCS(=O)(=O)CCc1cn(CC(=O)[O-])nn1 ZINC001590898780 1021605300 /nfs/dbraw/zinc/60/53/00/1021605300.db2.gz VKKZBGGJQYNEOK-UHFFFAOYSA-N -1 0 305.356 -0.519 20 0 DBADRM CCc1cc(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)on1 ZINC001590882145 1021605677 /nfs/dbraw/zinc/60/56/77/1021605677.db2.gz WHJDIYISTUFYKP-ZETCQYMHSA-N -1 0 317.313 -0.114 20 0 DBADRM CC(C)(O)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001590893076 1021607003 /nfs/dbraw/zinc/60/70/03/1021607003.db2.gz CWFUPVKDFJUKJG-DBIOUOCHSA-N -1 0 312.366 -0.121 20 0 DBADRM CC(C)(O)CNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001590899221 1021607078 /nfs/dbraw/zinc/60/70/78/1021607078.db2.gz VMTUOBBIDYMXFT-UHFFFAOYSA-N -1 0 312.326 -0.472 20 0 DBADRM CC(C)(O)[C@@H]1CCCN1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001590892981 1021607597 /nfs/dbraw/zinc/60/75/97/1021607597.db2.gz OZUQHNKKOAVDPS-JTQLQIEISA-N -1 0 311.342 -0.079 20 0 DBADRM CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001590902452 1021607621 /nfs/dbraw/zinc/60/76/21/1021607621.db2.gz UYEBXWSWYDOGIR-NSHDSACASA-N -1 0 324.333 -0.196 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001590899132 1021607954 /nfs/dbraw/zinc/60/79/54/1021607954.db2.gz PNUDNERLYSMENN-UHFFFAOYSA-N -1 0 308.338 -0.297 20 0 DBADRM CC(C)C(=O)N1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001590936090 1021609030 /nfs/dbraw/zinc/60/90/30/1021609030.db2.gz YXUNSGCQAPLTDP-PHIMTYICSA-N -1 0 318.395 -0.020 20 0 DBADRM CCc1nn(CC(=O)COC)c(=O)c(-c2nnn[n-]2)c1CC ZINC001590929337 1021609657 /nfs/dbraw/zinc/60/96/57/1021609657.db2.gz IVRLPICHGYWLFP-UHFFFAOYSA-N -1 0 306.326 -0.236 20 0 DBADRM CC(C)C(=O)N1CCN([C@H]2CCN(CCC(=O)[O-])C2=O)CC1 ZINC001590935786 1021610377 /nfs/dbraw/zinc/61/03/77/1021610377.db2.gz QOUIPBZXQMQKHQ-LBPRGKRZSA-N -1 0 311.382 -0.138 20 0 DBADRM CC(C)C(=O)N1CCN(CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001590935803 1021610395 /nfs/dbraw/zinc/61/03/95/1021610395.db2.gz TWBZTAUUTWUSLB-NEPJUHHUSA-N -1 0 311.382 -0.377 20 0 DBADRM CCc1nnc(COC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)o1 ZINC001590930919 1021610556 /nfs/dbraw/zinc/61/05/56/1021610556.db2.gz RICCCKXEDLPWSZ-LURJTMIESA-N -1 0 319.285 -0.292 20 0 DBADRM CCc1nocc1Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC001590936986 1021611622 /nfs/dbraw/zinc/61/16/22/1021611622.db2.gz SKTLEFSVRJZLKD-UHFFFAOYSA-N -1 0 303.282 -0.674 20 0 DBADRM CCc1nn(C)c(OC)c1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001590928737 1021612293 /nfs/dbraw/zinc/61/22/93/1021612293.db2.gz CUFMFBVBZXYSFK-UHFFFAOYSA-N -1 0 315.341 -0.005 20 0 DBADRM CC(C)C(=O)N1CCN(CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001590935805 1021612360 /nfs/dbraw/zinc/61/23/60/1021612360.db2.gz TWBZTAUUTWUSLB-RYUDHWBXSA-N -1 0 311.382 -0.377 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001590933820 1021612883 /nfs/dbraw/zinc/61/28/83/1021612883.db2.gz XQNKGPONDUHBGI-GRYCIOLGSA-N -1 0 312.366 -0.073 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2CC[C@@H](C)O2)c1=O ZINC001590950092 1021614508 /nfs/dbraw/zinc/61/45/08/1021614508.db2.gz QKIAANVRSGTBBF-RKDXNWHRSA-N -1 0 306.326 -0.223 20 0 DBADRM CCn1ccnc(NCCn2cnc(-c3nnn[n-]3)n2)c1=O ZINC001590960666 1021614786 /nfs/dbraw/zinc/61/47/86/1021614786.db2.gz LQPDJBQAMFJUAE-UHFFFAOYSA-N -1 0 302.302 -0.853 20 0 DBADRM CC(C)C(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001590940098 1021615410 /nfs/dbraw/zinc/61/54/10/1021615410.db2.gz MLNOQSMBVOFABC-UHFFFAOYSA-N -1 0 317.367 -0.226 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001590938919 1021615653 /nfs/dbraw/zinc/61/56/53/1021615653.db2.gz MGUKAHYTQZJPGR-IINYFYTJSA-N -1 0 300.355 -0.167 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cncs2)c1=O ZINC001590949977 1021615693 /nfs/dbraw/zinc/61/56/93/1021615693.db2.gz UOZMUGXLXHGVOO-UHFFFAOYSA-N -1 0 305.323 -0.285 20 0 DBADRM CC(C)C(=O)NCCCNS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001590938827 1021617972 /nfs/dbraw/zinc/61/79/72/1021617972.db2.gz NPFOSLDJRBCMHW-UHFFFAOYSA-N -1 0 306.384 -0.067 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(COC(=O)C2CC2)c1=O ZINC001590949963 1021616153 /nfs/dbraw/zinc/61/61/53/1021616153.db2.gz SZSSCZIAMNEMJD-UHFFFAOYSA-N -1 0 306.282 -0.879 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001590939539 1021616201 /nfs/dbraw/zinc/61/62/01/1021616201.db2.gz YZSXEECTJBNHFT-PGUXBMHVSA-N -1 0 312.366 -0.167 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)C2(Cl)CC2)c1=O ZINC001590950166 1021616419 /nfs/dbraw/zinc/61/64/19/1021616419.db2.gz UJNSVGDHYXXZGL-UHFFFAOYSA-N -1 0 324.728 -0.450 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccncc2C)c1=O ZINC001590950048 1021616628 /nfs/dbraw/zinc/61/66/28/1021616628.db2.gz ZEBAGPRJJJXTJO-UHFFFAOYSA-N -1 0 313.321 -0.038 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2C[C@@]23CCOC3)c1=O ZINC001590949905 1021616677 /nfs/dbraw/zinc/61/66/77/1021616677.db2.gz NCNDEPZDQVHLIS-YMTOWFKASA-N -1 0 318.337 -0.363 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cc(C)ncn2)c1=O ZINC001590949669 1021616942 /nfs/dbraw/zinc/61/69/42/1021616942.db2.gz JUHJWWJWZMBGST-UHFFFAOYSA-N -1 0 314.309 -0.643 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)C(C)(C)C)c1=O ZINC001590949872 1021617113 /nfs/dbraw/zinc/61/71/13/1021617113.db2.gz LZOLXJRVANDJMG-UHFFFAOYSA-N -1 0 306.326 -0.175 20 0 DBADRM CC(C)[C@](C)(NC(=O)Cn1cccc(C(=O)[O-])c1=O)C(N)=O ZINC001590969164 1021620782 /nfs/dbraw/zinc/62/07/82/1021620782.db2.gz YKDCYVSBQYYYRR-AWEZNQCLSA-N -1 0 309.322 -0.437 20 0 DBADRM CCn1nc(C)cc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590964772 1021621591 /nfs/dbraw/zinc/62/15/91/1021621591.db2.gz KTPAFVANZIFPAB-UHFFFAOYSA-N -1 0 302.302 -0.378 20 0 DBADRM CC(C)[C@@H](F)C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001590996986 1021625218 /nfs/dbraw/zinc/62/52/18/1021625218.db2.gz SSXFGNKIOQJPDF-WCBMZHEXSA-N -1 0 314.317 -0.520 20 0 DBADRM CN(C)C(=O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591000469 1021625575 /nfs/dbraw/zinc/62/55/75/1021625575.db2.gz GAIAFSQXJMDLFF-UHFFFAOYSA-N -1 0 304.310 -0.268 20 0 DBADRM CN(C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)C1CS(=O)(=O)C1 ZINC001590992229 1021625877 /nfs/dbraw/zinc/62/58/77/1021625877.db2.gz IKEIGZAXQMUKIL-UHFFFAOYSA-N -1 0 323.334 -0.559 20 0 DBADRM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001591019499 1021635989 /nfs/dbraw/zinc/63/59/89/1021635989.db2.gz PDCLANRJHXIJRR-ZWNOBZJWSA-N -1 0 323.349 -0.212 20 0 DBADRM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001591019497 1021638347 /nfs/dbraw/zinc/63/83/47/1021638347.db2.gz PDCLANRJHXIJRR-GXFFZTMASA-N -1 0 323.349 -0.212 20 0 DBADRM CC(=O)N1CC(C(=O)NCCNC(=O)c2ccccc2O)C1 ZINC001522521930 1021748627 /nfs/dbraw/zinc/74/86/27/1021748627.db2.gz SVSUBUBXQVYJLP-UHFFFAOYSA-N -1 0 305.334 -0.284 20 0 DBADRM O=C(NCCNC(=O)[C@H]1COCCO1)c1cccc2n[nH]nc21 ZINC001522523062 1021751138 /nfs/dbraw/zinc/75/11/38/1021751138.db2.gz AINYSCRBQCVPGS-LLVKDONJSA-N -1 0 319.321 -0.781 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)C2(F)CCOCC2)c1[O-] ZINC001522591307 1021805016 /nfs/dbraw/zinc/80/50/16/1021805016.db2.gz MMBXIEYALYBYSA-UHFFFAOYSA-N -1 0 314.317 -0.212 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1[O-] ZINC001522593208 1021805279 /nfs/dbraw/zinc/80/52/79/1021805279.db2.gz XNFFOMHJOCPDJD-BBBLOLIVSA-N -1 0 308.338 -0.163 20 0 DBADRM CC[C@]1(C)C[C@H]1C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001522781115 1021867030 /nfs/dbraw/zinc/86/70/30/1021867030.db2.gz ABILSBBBNTZWID-ISVAXAHUSA-N -1 0 311.342 -0.642 20 0 DBADRM C/C(=C/C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001522844315 1021883002 /nfs/dbraw/zinc/88/30/02/1021883002.db2.gz LNEVPILIAUVYEG-FPLPWBNLSA-N -1 0 321.337 -0.125 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)c2cncnc2)c1[O-] ZINC001522882184 1021894949 /nfs/dbraw/zinc/89/49/49/1021894949.db2.gz VOYLUYWFFPEBNH-UHFFFAOYSA-N -1 0 304.310 -0.236 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)[C@H]2CCC(=O)N2C)c1[O-] ZINC001522882439 1021895035 /nfs/dbraw/zinc/89/50/35/1021895035.db2.gz XWFABBMMTFSSGL-SECBINFHSA-N -1 0 323.353 -0.719 20 0 DBADRM CNC(=O)CC(=O)N[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001524381355 1022260594 /nfs/dbraw/zinc/26/05/94/1022260594.db2.gz SSWCLLOPOZOZRY-VIFPVBQESA-N -1 0 323.353 -0.816 20 0 DBADRM CN(Cc1cnn(C)c1)c1nnc(CCc2nn[nH]n2)n1C ZINC001525468897 1022399867 /nfs/dbraw/zinc/39/98/67/1022399867.db2.gz RCKDYZXOJDONMY-UHFFFAOYSA-N -1 0 302.346 -0.517 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)CCn2ccnn2)c1[O-] ZINC001526501111 1022514355 /nfs/dbraw/zinc/51/43/55/1022514355.db2.gz ZWTRLQNGUGVNAI-MRVPVSSYSA-N -1 0 321.341 -0.660 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H](C)CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001526753654 1022558421 /nfs/dbraw/zinc/55/84/21/1022558421.db2.gz XDNOAMIIXLGFNX-SGDMMICCSA-N -1 0 323.353 -0.198 20 0 DBADRM COC[C@H](NC(=O)Cn1c2ccccc2[nH]c1=O)c1nnn[n-]1 ZINC001558339222 1023956881 /nfs/dbraw/zinc/95/68/81/1023956881.db2.gz AJOTVZPRTUOGJM-VIFPVBQESA-N -1 0 317.309 -0.241 20 0 DBADRM CO[N-]C(=O)CNC(=O)C[C@H](NC(N)=O)c1cccc(C)c1 ZINC001558637345 1023967198 /nfs/dbraw/zinc/96/71/98/1023967198.db2.gz QNTMUPMLUWCVFB-NSHDSACASA-N -1 0 308.338 -0.112 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccnc(-n2cccn2)c1 ZINC001558782606 1023971052 /nfs/dbraw/zinc/97/10/52/1023971052.db2.gz UKQNUENHHOPIQM-UHFFFAOYSA-N -1 0 301.266 -0.091 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001565023980 1024048645 /nfs/dbraw/zinc/04/86/45/1024048645.db2.gz NOQOXYZBNGLQKK-PBINXNQUSA-N -1 0 319.383 -0.539 20 0 DBADRM CCNC(=O)OC[C@@H]1CCCCN1C(=O)NCC(=O)[N-]OC ZINC001565420814 1024053832 /nfs/dbraw/zinc/05/38/32/1024053832.db2.gz MUIHRCBJXAOMPG-JTQLQIEISA-N -1 0 316.358 -0.026 20 0 DBADRM CN1CC[C@@](Cc2ccccc2)(C(=O)NCc2nnn[n-]2)C1=O ZINC001565584030 1024059229 /nfs/dbraw/zinc/05/92/29/1024059229.db2.gz ICCHCDFNOPOYJZ-OAHLLOKOSA-N -1 0 314.349 -0.093 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[O-] ZINC001566209364 1024148541 /nfs/dbraw/zinc/14/85/41/1024148541.db2.gz DVCKRIWNCHBNLK-RTHLEPHNSA-N -1 0 321.337 -0.126 20 0 DBADRM CNC(=O)CCCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001566682924 1024341245 /nfs/dbraw/zinc/34/12/45/1024341245.db2.gz RMRIAFLLHQAZOE-SNVBAGLBSA-N -1 0 324.385 -0.493 20 0 DBADRM COCCOCCc1nc(C(=O)[N-]N2CCCNC2=O)c[nH]1 ZINC001567187233 1024567800 /nfs/dbraw/zinc/56/78/00/1024567800.db2.gz GXUDLMIZRJQLGR-UHFFFAOYSA-N -1 0 311.342 -0.325 20 0 DBADRM CCc1[nH]ccc1C(=O)N(C)CCNCc1nc(=O)n(C)[nH]1 ZINC001567489656 1024732111 /nfs/dbraw/zinc/73/21/11/1024732111.db2.gz RNJNFITYEAUXJD-UHFFFAOYSA-N -1 0 306.370 -0.139 20 0 DBADRM C[C@@H](C(=O)N(C)CCNCc1nc(=O)n(C)[nH]1)c1cnn(C)c1 ZINC001567621408 1024807477 /nfs/dbraw/zinc/80/74/77/1024807477.db2.gz SLKSHKIFTRAMOH-SNVBAGLBSA-N -1 0 321.385 -0.806 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(Cn2ccnn2)cc1 ZINC001568305267 1024890752 /nfs/dbraw/zinc/89/07/52/1024890752.db2.gz DFPAVWDNDGBOHM-UHFFFAOYSA-N -1 0 314.305 -0.025 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)[N-]OCC(C)(C)O)C1=O ZINC001568569905 1024945727 /nfs/dbraw/zinc/94/57/27/1024945727.db2.gz ZRLNOSYWKXINQV-VIFPVBQESA-N -1 0 302.327 -0.783 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNCc2nncn2C)c1[O-] ZINC001568836035 1025037125 /nfs/dbraw/zinc/03/71/25/1025037125.db2.gz KRWYTYWEHUDYAR-ONEGZZNKSA-N -1 0 305.342 -0.372 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)c1cnn2c1CCC2 ZINC001568860087 1025051419 /nfs/dbraw/zinc/05/14/19/1025051419.db2.gz HIANAJCFKUULSI-OWOJBTEDSA-N -1 0 317.353 -0.271 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001568922711 1025082671 /nfs/dbraw/zinc/08/26/71/1025082671.db2.gz BPKDODHDSVTJBR-LWTINBJPSA-N -1 0 310.358 -0.813 20 0 DBADRM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001569023344 1025117844 /nfs/dbraw/zinc/11/78/44/1025117844.db2.gz VPDBDVUAKQLHMU-VHSXEESVSA-N -1 0 324.385 -0.637 20 0 DBADRM CC(C)(O)[C@H](O)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001571069116 1025808260 /nfs/dbraw/zinc/80/82/60/1025808260.db2.gz DTKQQGPIPXKEPV-SECBINFHSA-N -1 0 300.311 -0.660 20 0 DBADRM CN(CCn1cnnc1)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571069511 1025809860 /nfs/dbraw/zinc/80/98/60/1025809860.db2.gz MTPLOILEKPXJET-UHFFFAOYSA-N -1 0 300.300 -0.980 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C[C@@H](C)O1 ZINC001571069440 1025809878 /nfs/dbraw/zinc/80/98/78/1025809878.db2.gz KMDVVVSYZCFPEF-KYXWUPHJSA-N -1 0 300.311 -0.321 20 0 DBADRM O=C([O-])c1ccc2c(c1)NC(=O)CN2C(=O)Cn1ncnn1 ZINC001571073989 1025810896 /nfs/dbraw/zinc/81/08/96/1025810896.db2.gz CHWGJUNKWMZQAB-UHFFFAOYSA-N -1 0 302.250 -0.643 20 0 DBADRM CON1CCC(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001571074796 1025811102 /nfs/dbraw/zinc/81/11/02/1025811102.db2.gz SVIMIUOZRHIFJV-MWLCHTKSSA-N -1 0 301.343 -0.199 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCC(OCCO)CC2)O[C@H]1C(=O)[O-] ZINC001571074004 1025811214 /nfs/dbraw/zinc/81/12/14/1025811214.db2.gz DBIWWQULVWQWJP-YUSALJHKSA-N -1 0 301.339 -0.136 20 0 DBADRM CS(=O)(=O)CC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001571074975 1025811418 /nfs/dbraw/zinc/81/14/18/1025811418.db2.gz RBHJKXCCOWMXMS-SSDOTTSWSA-N -1 0 301.324 -0.423 20 0 DBADRM COCCn1cc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)nn1 ZINC001571072456 1025811455 /nfs/dbraw/zinc/81/14/55/1025811455.db2.gz YUBVORDDJPRJGP-NSHDSACASA-N -1 0 300.340 -0.385 20 0 DBADRM NC(=O)[C@@H](NS(=O)(=O)CCCC(=O)[O-])c1ccccn1 ZINC001571074029 1025811830 /nfs/dbraw/zinc/81/18/30/1025811830.db2.gz DXWZZJTUEULYDK-JTQLQIEISA-N -1 0 301.324 -0.608 20 0 DBADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)N[C@H](C)C(N)=O)c1 ZINC001571076655 1025812251 /nfs/dbraw/zinc/81/22/51/1025812251.db2.gz GRJZWVZOYMTRCK-ZCFIWIBFSA-N -1 0 302.308 -0.455 20 0 DBADRM Cn1cncc1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001571075438 1025812312 /nfs/dbraw/zinc/81/23/12/1025812312.db2.gz XQHWCMDZZJYBKE-UHFFFAOYSA-N -1 0 301.324 -0.818 20 0 DBADRM CN(CC(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C(=O)OC(C)(C)C ZINC001571076680 1025812721 /nfs/dbraw/zinc/81/27/21/1025812721.db2.gz HFXQGMZEFMBHEQ-KTLJEJPDSA-N -1 0 302.327 -0.052 20 0 DBADRM C[C@@H](O)CN(C(=O)NCCC(=O)NCCC(=O)[O-])C1CC1 ZINC001571075062 1025812847 /nfs/dbraw/zinc/81/28/47/1025812847.db2.gz VZVMTPATTSAWOB-SECBINFHSA-N -1 0 301.343 -0.478 20 0 DBADRM C[C@@H]1CN(C(=O)NCC2([S@](C)=O)CC2)C[C@@H](C(=O)[O-])O1 ZINC001571085637 1025819380 /nfs/dbraw/zinc/81/93/80/1025819380.db2.gz BMWDRHSSIGIYOP-DYCLVXDSSA-N -1 0 304.368 -0.219 20 0 DBADRM CC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)C(=O)[O-] ZINC001571075089 1025813262 /nfs/dbraw/zinc/81/32/62/1025813262.db2.gz XHEXZWNVSZPLDM-DTWKUNHWSA-N -1 0 301.343 -0.628 20 0 DBADRM Cn1ccc(NC(=O)CNC(=O)c2cc(C(=O)[O-])ccn2)n1 ZINC001571079383 1025814606 /nfs/dbraw/zinc/81/46/06/1025814606.db2.gz JFGKLYWZOYQRSU-UHFFFAOYSA-N -1 0 303.278 -0.118 20 0 DBADRM Cn1cnc(S(=O)(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC001571080425 1025814960 /nfs/dbraw/zinc/81/49/60/1025814960.db2.gz QUJPJVKISFQKJA-BDAKNGLRSA-N -1 0 303.340 -0.564 20 0 DBADRM Cc1c(S(=O)(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)cnn1C ZINC001571080336 1025815515 /nfs/dbraw/zinc/81/55/15/1025815515.db2.gz QGCSIVBSVUMWON-CBAPKCEASA-N -1 0 303.340 -0.409 20 0 DBADRM CCOC(=O)[C@@](C)(O)CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001571080530 1025816730 /nfs/dbraw/zinc/81/67/30/1025816730.db2.gz SBESLJIKZCPKSX-LHGDZMGGSA-N -1 0 303.311 -0.705 20 0 DBADRM CSCc1noc(CCC(=O)N[C@@](C)(CO)C(=O)[O-])n1 ZINC001571080679 1025817083 /nfs/dbraw/zinc/81/70/83/1025817083.db2.gz VENJALUFRIOSKN-NSHDSACASA-N -1 0 303.340 -0.183 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnco3)C[C@H]21 ZINC001571084583 1025817170 /nfs/dbraw/zinc/81/71/70/1025817170.db2.gz LTQZEJZBHZFFOJ-CDDJKKQXSA-N -1 0 305.290 -0.418 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1 ZINC001571080625 1025817179 /nfs/dbraw/zinc/81/71/79/1025817179.db2.gz UANRESUCEQRRDQ-GUBZILKMSA-N -1 0 303.311 -0.751 20 0 DBADRM CC[C@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(C)(C)O ZINC001571081949 1025817405 /nfs/dbraw/zinc/81/74/05/1025817405.db2.gz YYWFYQYEOAGEFU-CIUDSAMLSA-N -1 0 303.359 -0.187 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N[C@@](C)(CO)C(=O)[O-])cc1 ZINC001571084577 1025817590 /nfs/dbraw/zinc/81/75/90/1025817590.db2.gz LKUMIAPUIDPEDS-ZDUSSCGKSA-N -1 0 305.294 -0.464 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)NCc3ncccn3)C2)C1 ZINC001571084333 1025817719 /nfs/dbraw/zinc/81/77/19/1025817719.db2.gz JWVWCOGDFMDNPY-CYBMUJFWSA-N -1 0 305.294 -0.008 20 0 DBADRM NC(=O)C1(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCCC1 ZINC001571085709 1025818644 /nfs/dbraw/zinc/81/86/44/1025818644.db2.gz CUEZHDOWZMUIRF-DTORHVGOSA-N -1 0 304.368 -0.185 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1nc2ncc(CCO)cn2n1)C1CC1 ZINC001571084790 1025818674 /nfs/dbraw/zinc/81/86/74/1025818674.db2.gz OIDLOUVQWWDJPQ-VIFPVBQESA-N -1 0 305.294 -0.748 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001571085726 1025818948 /nfs/dbraw/zinc/81/89/48/1025818948.db2.gz CVVNVIBRCVLBBM-RGOKHQFPSA-N -1 0 304.368 -0.316 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)COCc1ocnc1C(=O)[O-] ZINC001571085337 1025818973 /nfs/dbraw/zinc/81/89/73/1025818973.db2.gz NLPQCKIPVKQWIZ-LURJTMIESA-N -1 0 304.230 -0.483 20 0 DBADRM Cc1ccc2ncc(C(=O)N[C@@](C)(CO)C(=O)[O-])c(=O)n2c1 ZINC001571084635 1025819248 /nfs/dbraw/zinc/81/92/48/1025819248.db2.gz NUKAVPVPECNTHZ-AWEZNQCLSA-N -1 0 305.290 -0.432 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)n1 ZINC001571084630 1025819515 /nfs/dbraw/zinc/81/95/15/1025819515.db2.gz NROTXRZKWDHUHC-GHMZBOCLSA-N -1 0 305.290 -0.491 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)COCc1cccnc1 ZINC001571084792 1025819610 /nfs/dbraw/zinc/81/96/10/1025819610.db2.gz OJMSMFHRTVSVIM-LLVKDONJSA-N -1 0 305.294 -0.541 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC001571085572 1025819761 /nfs/dbraw/zinc/81/97/61/1025819761.db2.gz RBAPKCCTVHRKGP-VFCFLDTKSA-N -1 0 304.306 -0.683 20 0 DBADRM C[C@H](O)c1cn(CC(=O)NCc2ccc(C(=O)[O-])nc2)nn1 ZINC001571085336 1025819794 /nfs/dbraw/zinc/81/97/94/1025819794.db2.gz ZMPDQBSWOUGGEH-QMMMGPOBSA-N -1 0 305.294 -0.259 20 0 DBADRM Cc1nc(CS(=O)(=O)N2CCCN(C(=O)[O-])CC2)no1 ZINC001571086906 1025820723 /nfs/dbraw/zinc/82/07/23/1025820723.db2.gz YJMHDZLYLYRWFK-UHFFFAOYSA-N -1 0 304.328 -0.106 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCN3C(=O)OC[C@H]3C2)C1 ZINC001571086076 1025820905 /nfs/dbraw/zinc/82/09/05/1025820905.db2.gz WDTALDPAPHWRFV-HLTSFMKQSA-N -1 0 304.324 -0.684 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001571086510 1025821032 /nfs/dbraw/zinc/82/10/32/1025821032.db2.gz QNYJSDRZJZKQNE-SBMIAAHKSA-N -1 0 304.368 -0.220 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCc1nnc2n1CCOC2 ZINC001571086794 1025821187 /nfs/dbraw/zinc/82/11/87/1025821187.db2.gz XHJFLEUIQWLKDG-UHFFFAOYSA-N -1 0 304.328 -0.908 20 0 DBADRM C[S@@](=N)(=O)N1CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571086025 1025821293 /nfs/dbraw/zinc/82/12/93/1025821293.db2.gz GNCAUTWJVSNXHP-ZLVALASMSA-N -1 0 304.372 -0.374 20 0 DBADRM CC(=O)N[C@@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001571086887 1025821387 /nfs/dbraw/zinc/82/13/87/1025821387.db2.gz XTRLICCTCZFOGN-SNVBAGLBSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccsc1 ZINC001571086336 1025821496 /nfs/dbraw/zinc/82/14/96/1025821496.db2.gz KIZJCSMVRWJFGC-JGVFFNPUSA-N -1 0 304.349 -0.318 20 0 DBADRM COC[C@@](C)(NCC(=O)NCC(=O)OC(C)(C)C)C(=O)[O-] ZINC001571086910 1025821737 /nfs/dbraw/zinc/82/17/37/1025821737.db2.gz YLZVNLNJAPPJIO-CYBMUJFWSA-N -1 0 304.343 -0.476 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)c2ccc3n[nH]c(=O)n3c2)CCOC1 ZINC001571091175 1025822243 /nfs/dbraw/zinc/82/22/43/1025822243.db2.gz AWUOQVDWMJBHJA-CYBMUJFWSA-N -1 0 306.278 -0.344 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001571088351 1025822285 /nfs/dbraw/zinc/82/22/85/1025822285.db2.gz XAMUMGIWQMSPHU-OPRDCNLKSA-N -1 0 305.352 -0.752 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)[C@@H](C)C2)O[C@H]1C(=O)[O-] ZINC001571087503 1025822816 /nfs/dbraw/zinc/82/28/16/1025822816.db2.gz CCOVGKSXQIVLBM-UTINFBMNSA-N -1 0 305.352 -0.490 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C(=O)[O-] ZINC001571087479 1025822839 /nfs/dbraw/zinc/82/28/39/1025822839.db2.gz AXFGATXNFDRDGT-VFCFLDTKSA-N -1 0 305.352 -0.708 20 0 DBADRM Cc1cc(C(=O)N2CCN(CC(=O)[O-])CC2)ncc1C(N)=O ZINC001571091223 1025822866 /nfs/dbraw/zinc/82/28/66/1025822866.db2.gz BLWBQGPKBKDVPS-UHFFFAOYSA-N -1 0 306.322 -0.669 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCn2ccnc2C1 ZINC001571091259 1025822883 /nfs/dbraw/zinc/82/28/83/1025822883.db2.gz CGDHHBIDBCVZJN-VHSXEESVSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(S(=O)(=O)[C@@H]1COC[C@H]1O)C2 ZINC001571087711 1025823058 /nfs/dbraw/zinc/82/30/58/1025823058.db2.gz KRCYNTLKXDTOGK-XNDJQWLSSA-N -1 0 305.352 -0.737 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCS1(=O)=O ZINC001571087549 1025823141 /nfs/dbraw/zinc/82/31/41/1025823141.db2.gz DTKIQJYUIFWJTG-KYXWUPHJSA-N -1 0 305.352 -0.300 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCn2ccnc2C1 ZINC001571091258 1025823463 /nfs/dbraw/zinc/82/34/63/1025823463.db2.gz CGDHHBIDBCVZJN-UWVGGRQHSA-N -1 0 306.322 -0.753 20 0 DBADRM Cc1nc(CS(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)no1 ZINC001571088460 1025823695 /nfs/dbraw/zinc/82/36/95/1025823695.db2.gz YYULESSOBOXOOW-QMMMGPOBSA-N -1 0 305.312 -0.617 20 0 DBADRM Cc1nccn1CCCC(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001571092936 1025824137 /nfs/dbraw/zinc/82/41/37/1025824137.db2.gz ZRONRHBKBORQJG-NSHDSACASA-N -1 0 306.326 -0.167 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001571092588 1025824171 /nfs/dbraw/zinc/82/41/71/1025824171.db2.gz ULGIKVUEPMXXAU-DTWKUNHWSA-N -1 0 306.340 -0.389 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])[nH]1 ZINC001571091743 1025824403 /nfs/dbraw/zinc/82/44/03/1025824403.db2.gz JAWPXIYVIDJCBD-SNVBAGLBSA-N -1 0 306.278 -0.050 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc2nccnc2cc1F ZINC001571091530 1025824425 /nfs/dbraw/zinc/82/44/25/1025824425.db2.gz DIGMZILZAOGJRL-UHFFFAOYSA-N -1 0 306.253 -0.301 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@H](CC(F)F)C(=O)[O-])nn1 ZINC001571092994 1025824516 /nfs/dbraw/zinc/82/45/16/1025824516.db2.gz WSJIPXWREMDIFO-RNFRBKRXSA-N -1 0 306.269 -0.113 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncc(F)cn3)C[C@H]21 ZINC001571092568 1025824924 /nfs/dbraw/zinc/82/49/24/1025824924.db2.gz SVWVLKTWBXKZLF-APLZJWDSSA-N -1 0 306.297 -0.113 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001571092143 1025825108 /nfs/dbraw/zinc/82/51/08/1025825108.db2.gz OWYSIIVIRRXXQL-KYXWUPHJSA-N -1 0 306.322 -0.184 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCS(=O)(=O)CCO2)C1 ZINC001571091366 1025825327 /nfs/dbraw/zinc/82/53/27/1025825327.db2.gz DTYURKQZOWSGJM-BDAKNGLRSA-N -1 0 306.340 -0.389 20 0 DBADRM CCN1C[C@@H](CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])OC1=O ZINC001571092365 1025825512 /nfs/dbraw/zinc/82/55/12/1025825512.db2.gz SHJMXXSJAREBDL-DTWKUNHWSA-N -1 0 306.340 -0.989 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncc(F)cn3)C[C@H]21 ZINC001571092570 1025825549 /nfs/dbraw/zinc/82/55/49/1025825549.db2.gz SVWVLKTWBXKZLF-OGBGREFGSA-N -1 0 306.297 -0.113 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001571092108 1025825653 /nfs/dbraw/zinc/82/56/53/1025825653.db2.gz OPDQQHVQDXEPIR-ASXGKARISA-N -1 0 306.322 -0.245 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1)C(=O)[O-] ZINC001571096123 1025827348 /nfs/dbraw/zinc/82/73/48/1025827348.db2.gz HMWSICFTOAGOQL-WKJUBOCMSA-N -1 0 307.368 -0.303 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])CCC1 ZINC001571102749 1025835040 /nfs/dbraw/zinc/83/50/40/1025835040.db2.gz QSIVZWDZGPXWPG-JTQLQIEISA-N -1 0 309.340 -0.773 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Nc2cccc3c2NC(=O)CO3)C1 ZINC001571097101 1025829018 /nfs/dbraw/zinc/82/90/18/1025829018.db2.gz WHMFXJMOONDMJQ-UHFFFAOYSA-N -1 0 307.262 -0.319 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])cn1 ZINC001571096573 1025829254 /nfs/dbraw/zinc/82/92/54/1025829254.db2.gz OUKNVXLXTLSBEX-GXFFZTMASA-N -1 0 307.310 -0.690 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001571097334 1025829400 /nfs/dbraw/zinc/82/94/00/1025829400.db2.gz WRZFPEMXZLLANN-NXEZZACHSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001571097016 1025829418 /nfs/dbraw/zinc/82/94/18/1025829418.db2.gz SIHVLYUFRJDGRV-KXUCPTDWSA-N -1 0 307.368 -0.052 20 0 DBADRM CC1(C)CNC(=O)[C@H]1NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001571096318 1025829553 /nfs/dbraw/zinc/82/95/53/1025829553.db2.gz LQSXKPMHLYCRNI-SNVBAGLBSA-N -1 0 307.306 -0.813 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001571098659 1025830055 /nfs/dbraw/zinc/83/00/55/1025830055.db2.gz WHSCLAXDZINJJL-JPOPXJHUSA-N -1 0 308.298 -0.461 20 0 DBADRM COC(=O)c1cncc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])n1 ZINC001571097802 1025830301 /nfs/dbraw/zinc/83/03/01/1025830301.db2.gz FFDZZBSPDVMPEF-SECBINFHSA-N -1 0 308.294 -0.567 20 0 DBADRM Nc1nnn(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])n1 ZINC001571097626 1025830537 /nfs/dbraw/zinc/83/05/37/1025830537.db2.gz BKHLPSMRHPETGG-VIFPVBQESA-N -1 0 308.273 -0.794 20 0 DBADRM Cn1nccc1[C@@H](O)CNC(=O)Nc1cc(C(=O)[O-])nn1C ZINC001571097648 1025830673 /nfs/dbraw/zinc/83/06/73/1025830673.db2.gz BNYHUERVKZYAAY-VIFPVBQESA-N -1 0 308.298 -0.293 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001571098593 1025831050 /nfs/dbraw/zinc/83/10/50/1025831050.db2.gz VTNDZSVLHARFAS-BGZDPUMWSA-N -1 0 308.294 -0.524 20 0 DBADRM CN(CC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)[O-] ZINC001571097342 1025831067 /nfs/dbraw/zinc/83/10/67/1025831067.db2.gz WYKYSHNPCKSMPY-RKDXNWHRSA-N -1 0 307.372 -0.427 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1c1cncc(C(=O)[O-])n1 ZINC001571098700 1025831184 /nfs/dbraw/zinc/83/11/84/1025831184.db2.gz WXLBSSONKIGGHV-SECBINFHSA-N -1 0 308.294 -0.567 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@@H](C(=O)[O-])O1 ZINC001571101502 1025831956 /nfs/dbraw/zinc/83/19/56/1025831956.db2.gz CSAXXFCCWRFWPF-GUBZILKMSA-N -1 0 309.326 -0.674 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC001571100288 1025832740 /nfs/dbraw/zinc/83/27/40/1025832740.db2.gz DGUMZUNDEPLFPZ-ZETCQYMHSA-N -1 0 309.282 -0.213 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001571100896 1025832839 /nfs/dbraw/zinc/83/28/39/1025832839.db2.gz QUNUARMPVGUIGQ-ZKWXMUAHSA-N -1 0 309.282 -0.753 20 0 DBADRM Cc1c(C(=O)N[C@H](CF)C(=O)[O-])cnn1-c1ccc(=O)[nH]n1 ZINC001571101329 1025832900 /nfs/dbraw/zinc/83/29/00/1025832900.db2.gz YYQPKZXYWKEEGI-MRVPVSSYSA-N -1 0 309.257 -0.171 20 0 DBADRM CC(C)(C)n1cccc(C(=O)NCC(=O)NCC(=O)[O-])c1=O ZINC001571100545 1025832943 /nfs/dbraw/zinc/83/29/43/1025832943.db2.gz KJQOIUOWVOIVND-UHFFFAOYSA-N -1 0 309.322 -0.466 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)NC1(C(=O)[O-])CC(CO)C1)CC2 ZINC001571101599 1025833091 /nfs/dbraw/zinc/83/30/91/1025833091.db2.gz DAYJCZRLOFEAQK-XIRUVYRFSA-N -1 0 308.338 -0.509 20 0 DBADRM COCC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)[C@@H](C)C1 ZINC001571102892 1025833580 /nfs/dbraw/zinc/83/35/80/1025833580.db2.gz QRVCEVVOGSTYIA-UWVGGRQHSA-N -1 0 308.338 -0.108 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OC ZINC001571102248 1025834502 /nfs/dbraw/zinc/83/45/02/1025834502.db2.gz LIOAAYIPNSZYBS-VHSKPIJISA-N -1 0 309.340 -0.653 20 0 DBADRM Cc1nc(C)c(CC(=O)N2CCC(O)(C(=O)[O-])CC2)c(=O)[nH]1 ZINC001571102761 1025834727 /nfs/dbraw/zinc/83/47/27/1025834727.db2.gz QTSSQDQXCJZTBJ-UHFFFAOYSA-N -1 0 309.322 -0.220 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001571102585 1025834744 /nfs/dbraw/zinc/83/47/44/1025834744.db2.gz OKPQNFHOYNZEGP-VHSXEESVSA-N -1 0 308.338 -0.264 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001571101867 1025834790 /nfs/dbraw/zinc/83/47/90/1025834790.db2.gz GXMZRKKOKFFQBZ-DTWKUNHWSA-N -1 0 308.356 -0.854 20 0 DBADRM O=C([O-])N1CCN(C(=O)N[C@H]2CCc3nnnn3CC2)CC1 ZINC001571101983 1025835222 /nfs/dbraw/zinc/83/52/22/1025835222.db2.gz LCJIFICEUHRTAL-VIFPVBQESA-N -1 0 309.330 -0.617 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(CCCN2CCCC2=O)C1 ZINC001571106345 1025835903 /nfs/dbraw/zinc/83/59/03/1025835903.db2.gz KEWRFGJTMYIZQJ-NWDGAFQWSA-N -1 0 309.366 -0.480 20 0 DBADRM CC1(C)O[C@@H]2C[C@@H](NC(=O)Cn3cc(C(=O)[O-])nn3)C[C@@H]2O1 ZINC001571106535 1025836425 /nfs/dbraw/zinc/83/64/25/1025836425.db2.gz RQMHCPAPXPFAAU-SLGCYQGISA-N -1 0 310.310 -0.225 20 0 DBADRM CNC(=O)N[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])nn2C)C1 ZINC001571106607 1025836744 /nfs/dbraw/zinc/83/67/44/1025836744.db2.gz SPZHQEBEOFGISO-SSDOTTSWSA-N -1 0 310.314 -0.347 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(CCCN2CCCC2=O)C1 ZINC001571106347 1025836759 /nfs/dbraw/zinc/83/67/59/1025836759.db2.gz KEWRFGJTMYIZQJ-VXGBXAGGSA-N -1 0 309.366 -0.480 20 0 DBADRM COC(=O)Cc1occ(C)c1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001571107493 1025837596 /nfs/dbraw/zinc/83/75/96/1025837596.db2.gz BEUNMJUGVYAPBG-AWEZNQCLSA-N -1 0 311.290 -0.035 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1 ZINC001571108193 1025837986 /nfs/dbraw/zinc/83/79/86/1025837986.db2.gz MJLJEEPHRCSPHE-SCZZXKLOSA-N -1 0 311.294 -0.630 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)c1cc(C(=O)[O-])[nH]c1C ZINC001571107278 1025838070 /nfs/dbraw/zinc/83/80/70/1025838070.db2.gz XVGMWWMXXVGQTE-LDYMZIIASA-N -1 0 310.306 -0.188 20 0 DBADRM COC(=O)c1cnn(CC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)c1 ZINC001571108454 1025838138 /nfs/dbraw/zinc/83/81/38/1025838138.db2.gz SAZYWMASSALAEB-WPRPVWTQSA-N -1 0 311.294 -0.630 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)Cn1cnc(C(=O)[O-])cc1=O ZINC001571108559 1025838155 /nfs/dbraw/zinc/83/81/55/1025838155.db2.gz WQSGIYQOEFEZMP-UHFFFAOYSA-N -1 0 311.294 -0.601 20 0 DBADRM NS(=O)(=O)c1sccc1C(=O)N[C@@H](CCF)C(=O)[O-] ZINC001571106702 1025838284 /nfs/dbraw/zinc/83/82/84/1025838284.db2.gz UWIKKHZGOZRANH-LURJTMIESA-N -1 0 310.328 -0.062 20 0 DBADRM CCOC(=O)N1C[C@H](Nc2ccnc(C(=O)[O-])n2)[C@@H](CO)C1 ZINC001571107089 1025838302 /nfs/dbraw/zinc/83/83/02/1025838302.db2.gz ZGDHQIFRNWFXHX-BDAKNGLRSA-N -1 0 310.310 -0.542 20 0 DBADRM NC(=O)N1CC[C@H](CNC(=O)CCc2ocnc2C(=O)[O-])C1 ZINC001571107079 1025838472 /nfs/dbraw/zinc/83/84/72/1025838472.db2.gz YYZRDUJVZQXMRX-MRVPVSSYSA-N -1 0 310.310 -0.178 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001571106705 1025838543 /nfs/dbraw/zinc/83/85/43/1025838543.db2.gz VCIBJIJNCVLOCD-HTQZYQBOSA-N -1 0 310.310 -0.734 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cc(C(=O)[O-])on2)O1 ZINC001571108018 1025838641 /nfs/dbraw/zinc/83/86/41/1025838641.db2.gz IVRBAFWNHLDINF-VXNVDRBHSA-N -1 0 311.294 -0.262 20 0 DBADRM C[C@](O)(CNC(=O)CNC(=O)Cc1ccc(O)cc1)C(=O)[O-] ZINC001571107430 1025838785 /nfs/dbraw/zinc/83/87/85/1025838785.db2.gz ZHFMLVVBDNBSFZ-AWEZNQCLSA-N -1 0 310.306 -0.997 20 0 DBADRM O=C([O-])C1([C@]2(O)CCCN(C(=O)[C@H]3COC(=O)N3)C2)CCC1 ZINC001571111877 1025839474 /nfs/dbraw/zinc/83/94/74/1025839474.db2.gz FQAGJPMGIDWWJV-OTYXRUKQSA-N -1 0 312.322 -0.297 20 0 DBADRM COCC(COC)S(=O)(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001571111326 1025839555 /nfs/dbraw/zinc/83/95/55/1025839555.db2.gz JYCHAPSGRRXWFM-NSHDSACASA-N -1 0 311.356 -0.942 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)CCN1CCCC1=O ZINC001571111475 1025839733 /nfs/dbraw/zinc/83/97/33/1025839733.db2.gz LSUCRMRMQQAQBZ-SNVBAGLBSA-N -1 0 311.338 -0.809 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001571111107 1025839760 /nfs/dbraw/zinc/83/97/60/1025839760.db2.gz FDEAGQXDCKVNBA-ZANVPECISA-N -1 0 311.342 -0.465 20 0 DBADRM CC(C)n1nnc(NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)n1 ZINC001571111931 1025839870 /nfs/dbraw/zinc/83/98/70/1025839870.db2.gz HJLQIHJQGAYZAZ-SECBINFHSA-N -1 0 312.330 -0.057 20 0 DBADRM Cn1nccc1[C@@H](O)CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001571111986 1025840146 /nfs/dbraw/zinc/84/01/46/1025840146.db2.gz UVKHPFHXKYVPEL-ZMLRMANQSA-N -1 0 311.338 -0.018 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC001571111545 1025840171 /nfs/dbraw/zinc/84/01/71/1025840171.db2.gz AEEYPDBAAXRNBF-LURJTMIESA-N -1 0 312.282 -0.231 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)Nc2cn(C)nc2C(N)=O)C1 ZINC001571111011 1025840392 /nfs/dbraw/zinc/84/03/92/1025840392.db2.gz CBSJQOVMKAFAEE-LBPRGKRZSA-N -1 0 311.298 -0.774 20 0 DBADRM CCO[C@H](C(=O)N[C@H](Cn1cncn1)C(=O)[O-])[C@H]1CCOC1 ZINC001571111621 1025840561 /nfs/dbraw/zinc/84/05/61/1025840561.db2.gz CLTSJHMRNCEDJW-AXFHLTTASA-N -1 0 312.326 -0.711 20 0 DBADRM O=C([O-])[C@@H]1CSCCN1C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001571112639 1025841077 /nfs/dbraw/zinc/84/10/77/1025841077.db2.gz PPCHOEZVGPLSTH-KXUCPTDWSA-N -1 0 312.351 -0.384 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001571112355 1025841387 /nfs/dbraw/zinc/84/13/87/1025841387.db2.gz LJRYTEBQRDXQTM-VGMNWLOBSA-N -1 0 312.326 -0.441 20 0 DBADRM CC(=O)OCC(C)(C)CC(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001571113314 1025841576 /nfs/dbraw/zinc/84/15/76/1025841576.db2.gz ZGGPLMRPVJGXJR-SNVBAGLBSA-N -1 0 312.326 -0.173 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001571113431 1025841997 /nfs/dbraw/zinc/84/19/97/1025841997.db2.gz ZEZBHQVOHTUCLD-KXNHARMFSA-N -1 0 311.382 -0.332 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CC[N@@H+]1CCC(=O)[O-] ZINC001571115431 1025842443 /nfs/dbraw/zinc/84/24/43/1025842443.db2.gz JYMMIQPEWZGEND-QWRGUYRKSA-N -1 0 312.370 -0.463 20 0 DBADRM COC(=O)C(F)(F)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001571112593 1025842518 /nfs/dbraw/zinc/84/25/18/1025842518.db2.gz OPRFQNYDURHCQB-UHFFFAOYSA-N -1 0 312.250 -0.201 20 0 DBADRM CN1C(=O)N=NC1CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001571118859 1025843172 /nfs/dbraw/zinc/84/31/72/1025843172.db2.gz KDHADUQPEQSOBH-UHFFFAOYSA-N -1 0 313.295 -0.908 20 0 DBADRM NC(=O)C1CCC(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001571116576 1025843404 /nfs/dbraw/zinc/84/34/04/1025843404.db2.gz JKNLPCGHLZRIGJ-VGRIYTJTSA-N -1 0 313.354 -0.181 20 0 DBADRM COc1cnc(C(=O)NCCC(=O)NCCC(=O)[O-])c(F)c1 ZINC001571118220 1025843436 /nfs/dbraw/zinc/84/34/36/1025843436.db2.gz AKDDCZXNKVRUHO-UHFFFAOYSA-N -1 0 313.285 -0.060 20 0 DBADRM CNC(=O)NC[C@@H]1CCCCN1C(=O)NC1CN(C(=O)[O-])C1 ZINC001571116775 1025843641 /nfs/dbraw/zinc/84/36/41/1025843641.db2.gz NFTSVWGIRXLUFS-JTQLQIEISA-N -1 0 313.358 -0.158 20 0 DBADRM Cc1nccnc1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001571118526 1025843688 /nfs/dbraw/zinc/84/36/88/1025843688.db2.gz FQURVRCQNZDNDF-SECBINFHSA-N -1 0 313.335 -0.501 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001571116467 1025843832 /nfs/dbraw/zinc/84/38/32/1025843832.db2.gz DTSFIZSNQLAEKO-QMMMGPOBSA-N -1 0 313.397 -0.406 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001571118508 1025844029 /nfs/dbraw/zinc/84/40/29/1025844029.db2.gz DOMKVUVLEDPZEK-AHOQVSSZSA-N -1 0 313.306 -0.338 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)C2N=NC(=O)N2C)C1 ZINC001571118592 1025844381 /nfs/dbraw/zinc/84/43/81/1025844381.db2.gz HMGTTWYQXNIAOY-KRTXAFLBSA-N -1 0 313.314 -0.533 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)c1C(=O)[O-] ZINC001571120046 1025845091 /nfs/dbraw/zinc/84/50/91/1025845091.db2.gz PYFNJZDZOHLNPY-UHFFFAOYSA-N -1 0 314.323 -0.631 20 0 DBADRM C[C@]12CN(C(=O)c3cc(C(=O)[O-])on3)C[C@H]1CS(=O)(=O)C2 ZINC001571120070 1025845331 /nfs/dbraw/zinc/84/53/31/1025845331.db2.gz QNJRDNTWUUWCEI-JVXZTZIISA-N -1 0 314.319 -0.121 20 0 DBADRM CCN1C[C@H](NS(=O)(=O)c2cccnc2C(=O)[O-])CC1=O ZINC001571119188 1025845932 /nfs/dbraw/zinc/84/59/32/1025845932.db2.gz XOGVKRRADGKUCI-MRVPVSSYSA-N -1 0 313.335 -0.321 20 0 DBADRM CCc1nncn1CCNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001571122033 1025846205 /nfs/dbraw/zinc/84/62/05/1025846205.db2.gz BCIALRMSKFENPO-UHFFFAOYSA-N -1 0 314.327 -0.760 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001571123921 1025847282 /nfs/dbraw/zinc/84/72/82/1025847282.db2.gz WHBNYLCYUJYMBR-LLVKDONJSA-N -1 0 314.323 -0.991 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001571123935 1025847418 /nfs/dbraw/zinc/84/74/18/1025847418.db2.gz WNPMYSALVPLZOE-AEJSXWLSSA-N -1 0 314.338 -0.473 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCC1CC2(C1)OCCO2 ZINC001571123840 1025847706 /nfs/dbraw/zinc/84/77/06/1025847706.db2.gz UTAJFVGXDYOPJX-GHMZBOCLSA-N -1 0 314.338 -0.072 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCC2(O)CCC2)C[C@@H]1C(=O)[O-] ZINC001571122610 1025848016 /nfs/dbraw/zinc/84/80/16/1025848016.db2.gz HXOZGIIKGPBJES-VHSXEESVSA-N -1 0 314.338 -0.193 20 0 DBADRM NC(=O)c1cccc(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)n1 ZINC001571122220 1025848026 /nfs/dbraw/zinc/84/80/26/1025848026.db2.gz BCDVHMRCFDMIRX-UHFFFAOYSA-N -1 0 315.289 -0.159 20 0 DBADRM C[C@@H]1C(=O)Nc2cccc(C(=O)[O-])c2N1C(=O)Cn1ncnn1 ZINC001571126771 1025848899 /nfs/dbraw/zinc/84/88/99/1025848899.db2.gz YKYSTYCFZSZDFL-SSDOTTSWSA-N -1 0 316.277 -0.255 20 0 DBADRM C[S@@](=N)(=O)N1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC001571125155 1025849160 /nfs/dbraw/zinc/84/91/60/1025849160.db2.gz DNRPLMLJSRZSRT-NRFANRHFSA-N -1 0 315.355 -0.683 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2CC[C@H](C(N)=O)C2)cc1C(=O)[O-] ZINC001571125067 1025849237 /nfs/dbraw/zinc/84/92/37/1025849237.db2.gz ABSUTBKKUKAJGV-JGVFFNPUSA-N -1 0 315.351 -0.344 20 0 DBADRM O=C([O-])CC1(NC(=O)Cc2c[nH]cn2)CCS(=O)(=O)CC1 ZINC001571125401 1025849328 /nfs/dbraw/zinc/84/93/28/1025849328.db2.gz GEALOOORJWGUBJ-UHFFFAOYSA-N -1 0 315.351 -0.510 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@H](CO)CC1CCC1 ZINC001571126464 1025850113 /nfs/dbraw/zinc/85/01/13/1025850113.db2.gz RSDIWAIAQZEIKQ-NSHDSACASA-N -1 0 315.370 -0.182 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCC[C@H]2CCCS2(=O)=O)n1 ZINC001571126858 1025850429 /nfs/dbraw/zinc/85/04/29/1025850429.db2.gz XRJLSNTWZWGDQY-SECBINFHSA-N -1 0 315.351 -0.335 20 0 DBADRM Cc1cc(F)c(S(=O)(=O)N2CC(C(N)=O)C2)cc1C(=O)[O-] ZINC001571129008 1025850978 /nfs/dbraw/zinc/85/09/78/1025850978.db2.gz VAQJKYDGYQOFHU-UHFFFAOYSA-N -1 0 316.310 -0.062 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)C1N=NC(=O)N1C ZINC001571128346 1025851676 /nfs/dbraw/zinc/85/16/76/1025851676.db2.gz MBGJCQSQADEDSM-RXMQYKEDSA-N -1 0 316.295 -0.149 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)[C@@H](C(N)=O)C1 ZINC001571131526 1025852538 /nfs/dbraw/zinc/85/25/38/1025852538.db2.gz JKKRCGJOKPIASF-POYBYMJQSA-N -1 0 316.339 -0.618 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001571131617 1025852566 /nfs/dbraw/zinc/85/25/66/1025852566.db2.gz MXZMEXYOPZFCSN-WDEREUQCSA-N -1 0 316.354 -0.130 20 0 DBADRM CN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21)[C@@H]1CCS(=O)(=O)C1 ZINC001571131783 1025852576 /nfs/dbraw/zinc/85/25/76/1025852576.db2.gz TZATXRSXVJPDAE-NZFPMDFQSA-N -1 0 316.379 -0.076 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001571132493 1025852815 /nfs/dbraw/zinc/85/28/15/1025852815.db2.gz CAPZEPUEFURUGW-UHFFFAOYSA-N -1 0 317.323 -0.814 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001571132590 1025852903 /nfs/dbraw/zinc/85/29/03/1025852903.db2.gz DHUDOXWJEYOFOY-KNVOCYPGSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC001571132632 1025853007 /nfs/dbraw/zinc/85/30/07/1025853007.db2.gz FDBGWBICGNAKEC-CIUDSAMLSA-N -1 0 317.342 -0.539 20 0 DBADRM COC[C@H](CO)NC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001571131829 1025853127 /nfs/dbraw/zinc/85/31/27/1025853127.db2.gz UZKQELGLGVDRQI-PYUIQPRZSA-N -1 0 316.354 -0.295 20 0 DBADRM CCO[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC001571131914 1025853409 /nfs/dbraw/zinc/85/34/09/1025853409.db2.gz YNZJAZSZXSEANQ-NAKRPEOUSA-N -1 0 316.354 -0.478 20 0 DBADRM CS(=O)(=O)Cc1nc(C(=O)N2CCN(C(=O)[O-])CC2)co1 ZINC001571132465 1025853417 /nfs/dbraw/zinc/85/34/17/1025853417.db2.gz AWRNUHOWZSZBLS-UHFFFAOYSA-N -1 0 317.323 -0.345 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])[C@@H]1OC ZINC001571131492 1025853530 /nfs/dbraw/zinc/85/35/30/1025853530.db2.gz IGHQFXMIQYHSFI-ROHXPCBUSA-N -1 0 316.354 -0.032 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H](C(N)=O)C1 ZINC001571131620 1025853724 /nfs/dbraw/zinc/85/37/24/1025853724.db2.gz NGBIOOGBYZTCFR-HTRCEHHLSA-N -1 0 316.339 -0.618 20 0 DBADRM CNC(=O)[C@]1(C)CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001571131408 1025853888 /nfs/dbraw/zinc/85/38/88/1025853888.db2.gz FROZWNSGUNYTJV-LLVKDONJSA-N -1 0 316.339 -0.745 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)C[C@@H]1CCOC[C@H]1OC)C(=O)[O-] ZINC001571132808 1025854589 /nfs/dbraw/zinc/85/45/89/1025854589.db2.gz GHIDOMCMOMNGAM-HBNTYKKESA-N -1 0 317.338 -0.049 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)C[C@@H]1CCOC[C@@H]1OC)C(=O)[O-] ZINC001571132805 1025854735 /nfs/dbraw/zinc/85/47/35/1025854735.db2.gz GHIDOMCMOMNGAM-AXFHLTTASA-N -1 0 317.338 -0.049 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC001571133261 1025854815 /nfs/dbraw/zinc/85/48/15/1025854815.db2.gz MSBDMDMFQFPTJQ-UHFFFAOYSA-N -1 0 317.309 -0.489 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(C(=O)c2cc(C(=O)[O-])no2)C1 ZINC001571132898 1025855021 /nfs/dbraw/zinc/85/50/21/1025855021.db2.gz HJBZRROOZIUBHS-SSDOTTSWSA-N -1 0 317.323 -0.616 20 0 DBADRM Nc1c(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cnn1-c1ccccn1 ZINC001571132817 1025855291 /nfs/dbraw/zinc/85/52/91/1025855291.db2.gz GSYXTXUFGYNWTE-PSASIEDQSA-N -1 0 317.305 -0.491 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1cnn2cccnc12 ZINC001571132897 1025855394 /nfs/dbraw/zinc/85/53/94/1025855394.db2.gz HHUMSFQDUXKOBK-SNVBAGLBSA-N -1 0 317.305 -0.465 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C2=CS(=O)(=O)CCC2)CC1 ZINC001571133209 1025855558 /nfs/dbraw/zinc/85/55/58/1025855558.db2.gz JPKNBOJPLZXVNE-NSHDSACASA-N -1 0 317.363 -0.237 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NC2(C)CN(C(=O)[O-])C2)co1 ZINC001571133074 1025855766 /nfs/dbraw/zinc/85/57/66/1025855766.db2.gz KDFDUQAGMDLCCD-UHFFFAOYSA-N -1 0 317.323 -0.330 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)C[C@H]1CCOC[C@H]1OC)C(=O)[O-] ZINC001571132807 1025855856 /nfs/dbraw/zinc/85/58/56/1025855856.db2.gz GHIDOMCMOMNGAM-GMTAPVOTSA-N -1 0 317.338 -0.049 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001571132914 1025855985 /nfs/dbraw/zinc/85/59/85/1025855985.db2.gz HTMABOZOTCXTCT-GMSGAONNSA-N -1 0 317.309 -0.135 20 0 DBADRM CON1CCC(NS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1 ZINC001571137414 1025856745 /nfs/dbraw/zinc/85/67/45/1025856745.db2.gz FQTBOMQYSOLCOT-UHFFFAOYSA-N -1 0 318.355 -0.280 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001571133812 1025856936 /nfs/dbraw/zinc/85/69/36/1025856936.db2.gz XNXJDDTZAIDEHZ-DTWKUNHWSA-N -1 0 317.342 -0.454 20 0 DBADRM CC(C)CN1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1=O ZINC001571137961 1025857070 /nfs/dbraw/zinc/85/70/70/1025857070.db2.gz QFMTWYAHHNVHQW-PHIMTYICSA-N -1 0 318.395 -0.020 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001571137181 1025857102 /nfs/dbraw/zinc/85/71/02/1025857102.db2.gz ABGJHOPSLSZWHS-OUAUKWLOSA-N -1 0 318.395 -0.115 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2conc2C)C[C@H]1C(=O)[O-] ZINC001571140226 1025858315 /nfs/dbraw/zinc/85/83/15/1025858315.db2.gz RCXCFUMFVIIFAP-HTQZYQBOSA-N -1 0 318.307 -0.523 20 0 DBADRM COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001571138947 1025858387 /nfs/dbraw/zinc/85/83/87/1025858387.db2.gz HYYQFTRRBHGAKH-QMMMGPOBSA-N -1 0 318.326 -0.816 20 0 DBADRM Cn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cn1 ZINC001571139396 1025858552 /nfs/dbraw/zinc/85/85/52/1025858552.db2.gz KMBDMLUHLJVOKN-KKJSVHSVSA-N -1 0 318.333 -0.673 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]21 ZINC001571139748 1025858565 /nfs/dbraw/zinc/85/85/65/1025858565.db2.gz MAPUOEQEVAPJSH-HKLXJQGRSA-N -1 0 318.333 -0.754 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2cccnn2)C1 ZINC001571140177 1025859023 /nfs/dbraw/zinc/85/90/23/1025859023.db2.gz QIASKBWKEICBRJ-ZRUFSTJUSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)Cc2cncnc2)CC1 ZINC001571138874 1025859287 /nfs/dbraw/zinc/85/92/87/1025859287.db2.gz FSOLWAUBJWJZJX-NEPJUHHUSA-N -1 0 318.333 -0.589 20 0 DBADRM COC(=O)NC(C)(C)C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001571139795 1025859306 /nfs/dbraw/zinc/85/93/06/1025859306.db2.gz NBIPGHOMBLRVMA-QMMMGPOBSA-N -1 0 318.326 -0.157 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1ncc[nH]1)C2 ZINC001571139363 1025859713 /nfs/dbraw/zinc/85/97/13/1025859713.db2.gz KGCZKRVCVYRNPD-NXEZZACHSA-N -1 0 318.333 -0.195 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2cccnn2)C1 ZINC001571140171 1025859875 /nfs/dbraw/zinc/85/98/75/1025859875.db2.gz QIASKBWKEICBRJ-VLEAKVRGSA-N -1 0 318.333 -0.178 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1occc1C(=O)[O-] ZINC001571141402 1025860207 /nfs/dbraw/zinc/86/02/07/1025860207.db2.gz OGKXYTKMYBQYSO-SVRRBLITSA-N -1 0 319.291 -0.725 20 0 DBADRM C[C@H](C(=O)NCC[C@H](O)C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC001571142941 1025860247 /nfs/dbraw/zinc/86/02/47/1025860247.db2.gz FBTFQGMCRGPAOE-KOLCDFICSA-N -1 0 319.321 -0.147 20 0 DBADRM Cc1nc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[C@@H]4C(=O)[O-])C[C@H]32)co1 ZINC001571142994 1025860523 /nfs/dbraw/zinc/86/05/23/1025860523.db2.gz HAGACBGRBBVONW-OFKSJOQMSA-N -1 0 319.317 -0.110 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)c(C)o1 ZINC001571142221 1025860577 /nfs/dbraw/zinc/86/05/77/1025860577.db2.gz YXQSZRPTMDYWLC-UHFFFAOYSA-N -1 0 319.291 -0.805 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001571141104 1025860663 /nfs/dbraw/zinc/86/06/63/1025860663.db2.gz LFMDFMDLSPIDTA-SSDOTTSWSA-N -1 0 319.268 -0.308 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@H]1CCc2nncn2CC1)C(=O)[O-] ZINC001571140951 1025860760 /nfs/dbraw/zinc/86/07/60/1025860760.db2.gz VXCMJVTUUOYRRM-JOYOIKCWSA-N -1 0 318.337 -0.094 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001571142900 1025860895 /nfs/dbraw/zinc/86/08/95/1025860895.db2.gz CRLSITQCPUGZQI-VNOQCFOKSA-N -1 0 319.317 -0.206 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CC[C@@H](N3CCOC3=O)C2)C1 ZINC001571140959 1025861046 /nfs/dbraw/zinc/86/10/46/1025861046.db2.gz WFCLXOHFNMXTTB-BBBLOLIVSA-N -1 0 318.351 -0.294 20 0 DBADRM COC(=O)CN(CC(C)C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001571142824 1025861059 /nfs/dbraw/zinc/86/10/59/1025861059.db2.gz AKBFNVZCFXFWBO-UHFFFAOYSA-N -1 0 319.339 -0.072 20 0 DBADRM COCC[C@H](NS(=O)(=O)Cc1noc(C2CC2)n1)C(=O)[O-] ZINC001571142940 1025861238 /nfs/dbraw/zinc/86/12/38/1025861238.db2.gz DYWHRQHKVYHYSU-QMMMGPOBSA-N -1 0 319.339 -0.144 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1noc2c1COCC2 ZINC001571142927 1025861686 /nfs/dbraw/zinc/86/16/86/1025861686.db2.gz DSWPVTFOOLVYGG-UHFFFAOYSA-N -1 0 319.339 -0.512 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)nc1 ZINC001571143361 1025862340 /nfs/dbraw/zinc/86/23/40/1025862340.db2.gz UZSIWAUAYJOESO-NXEZZACHSA-N -1 0 319.321 -0.852 20 0 DBADRM Cn1nncc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001571144525 1025862962 /nfs/dbraw/zinc/86/29/62/1025862962.db2.gz OBWACYNZSCIBPL-DNIRFERGSA-N -1 0 319.365 -0.289 20 0 DBADRM Cc1ccn2ncc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c2n1 ZINC001571143135 1025863026 /nfs/dbraw/zinc/86/30/26/1025863026.db2.gz MHUXMNZHKXAAEG-IUCAKERBSA-N -1 0 319.321 -0.255 20 0 DBADRM CN(C(=O)CC1CS(=O)(=O)C1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001571143941 1025863308 /nfs/dbraw/zinc/86/33/08/1025863308.db2.gz BIJGVXIMCAWWAW-NSHDSACASA-N -1 0 319.379 -0.098 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)C[C@H]2CC3(CCC3)CO2)C1 ZINC001571144019 1025863528 /nfs/dbraw/zinc/86/35/28/1025863528.db2.gz DHMXAXJPXPRVLT-MFKMUULPSA-N -1 0 319.379 -0.203 20 0 DBADRM NC(=O)N1CCC[C@H](CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001571144310 1025863540 /nfs/dbraw/zinc/86/35/40/1025863540.db2.gz JEQWRHBZUOOEOJ-BBBLOLIVSA-N -1 0 319.383 -0.440 20 0 DBADRM COC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)C(=O)[O-] ZINC001571145632 1025864689 /nfs/dbraw/zinc/86/46/89/1025864689.db2.gz FEDDDCBVJWQESY-VGMNWLOBSA-N -1 0 320.342 -0.524 20 0 DBADRM COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001571145520 1025865271 /nfs/dbraw/zinc/86/52/71/1025865271.db2.gz ASQWMSWJTLPBGV-SDBXPKJASA-N -1 0 320.342 -0.522 20 0 DBADRM Cc1cc(CS(=O)(=O)N[C@H](CC2OCCO2)C(=O)[O-])no1 ZINC001571145633 1025865539 /nfs/dbraw/zinc/86/55/39/1025865539.db2.gz FELBSBXWHYWLGN-SECBINFHSA-N -1 0 320.323 -0.381 20 0 DBADRM C[C@@](CO)(NC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C(=O)[O-] ZINC001571145121 1025865648 /nfs/dbraw/zinc/86/56/48/1025865648.db2.gz LBCIGXDVDJHEFC-NSHDSACASA-N -1 0 320.298 -0.962 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2c[nH]nc2[C@H]2CCCO2)nn1 ZINC001571145747 1025865915 /nfs/dbraw/zinc/86/59/15/1025865915.db2.gz JATWRTIYSMFLQH-SNVBAGLBSA-N -1 0 320.309 -0.019 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC2(CN(C(=O)c3cnon3)C2)C1 ZINC001571146393 1025866208 /nfs/dbraw/zinc/86/62/08/1025866208.db2.gz WYCXVVYKIKXEBC-IUCAKERBSA-N -1 0 320.305 -0.535 20 0 DBADRM Cn1cnn(CCC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)c1=O ZINC001571146399 1025866226 /nfs/dbraw/zinc/86/62/26/1025866226.db2.gz WZDYVQNZMFDOII-UHFFFAOYSA-N -1 0 320.309 -0.981 20 0 DBADRM COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001571145994 1025866260 /nfs/dbraw/zinc/86/62/60/1025866260.db2.gz QEEIXKSQKDAGCO-IUCAKERBSA-N -1 0 320.342 -0.522 20 0 DBADRM CCn1nc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)ccc1=O ZINC001571146152 1025866318 /nfs/dbraw/zinc/86/63/18/1025866318.db2.gz SAUZGHQFMSWMEA-AWEZNQCLSA-N -1 0 320.305 -0.291 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001571146121 1025866401 /nfs/dbraw/zinc/86/64/01/1025866401.db2.gz ROWLEYPSELEJFM-QCMRWSPLSA-N -1 0 320.349 -0.316 20 0 DBADRM Cn1cncc1C(=O)N1CCC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001571145846 1025866652 /nfs/dbraw/zinc/86/66/52/1025866652.db2.gz LXVAJQUTHQLVPB-QWRGUYRKSA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1cncc1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001571146271 1025866920 /nfs/dbraw/zinc/86/69/20/1025866920.db2.gz UTRWIVIUROCGBA-NAKRPEOUSA-N -1 0 320.349 -0.235 20 0 DBADRM COCCN(CC(=O)N[C@@H](CO)C(=O)[O-])C(=O)OC(C)(C)C ZINC001571145957 1025867122 /nfs/dbraw/zinc/86/71/22/1025867122.db2.gz OZEMXUMMYPBARZ-VIFPVBQESA-N -1 0 320.342 -0.568 20 0 DBADRM CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NC[C@H](O)C(=O)[O-] ZINC001571146171 1025867246 /nfs/dbraw/zinc/86/72/46/1025867246.db2.gz SOMXMQUWCXVYAD-BDAKNGLRSA-N -1 0 320.342 -0.522 20 0 DBADRM CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001571145891 1025867360 /nfs/dbraw/zinc/86/73/60/1025867360.db2.gz NQLKPHSWQQLPFH-VGMNWLOBSA-N -1 0 320.342 -0.524 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1 ZINC001571148897 1025868467 /nfs/dbraw/zinc/86/84/67/1025868467.db2.gz FXWWEGJIOHQLRC-VHSXEESVSA-N -1 0 320.367 -0.841 20 0 DBADRM C[C@@]1(CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCS(=O)(=O)N1 ZINC001571149066 1025869151 /nfs/dbraw/zinc/86/91/51/1025869151.db2.gz LCHYXSXIGGJBAI-UISBYWKRSA-N -1 0 320.367 -0.936 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CCOC3)C2)n1 ZINC001571149446 1025869611 /nfs/dbraw/zinc/86/96/11/1025869611.db2.gz XWSKLBMKRWUETM-GARJFASQSA-N -1 0 320.349 -0.060 20 0 DBADRM Cn1nncc1C(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001571150948 1025870054 /nfs/dbraw/zinc/87/00/54/1025870054.db2.gz PCZGOMADJIRHKB-ZJUUUORDSA-N -1 0 321.337 -0.790 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001571150952 1025870427 /nfs/dbraw/zinc/87/04/27/1025870427.db2.gz PFBXOSPBFWCVTA-UWVGGRQHSA-N -1 0 321.337 -0.871 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)C1 ZINC001571150588 1025870490 /nfs/dbraw/zinc/87/04/90/1025870490.db2.gz KSGWFOWKOFBFCS-DTORHVGOSA-N -1 0 321.351 -0.821 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(Cc2noc3c2COCC3)C1 ZINC001571150297 1025870760 /nfs/dbraw/zinc/87/07/60/1025870760.db2.gz DUYLORYNMULFFA-UWVGGRQHSA-N -1 0 321.333 -0.232 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCC(=O)NC2CCCC2)c1=O ZINC001571150548 1025870847 /nfs/dbraw/zinc/87/08/47/1025870847.db2.gz JIXLSRADBRWVMJ-UHFFFAOYSA-N -1 0 321.333 -0.279 20 0 DBADRM CN(C(=O)c1nc[nH]n1)C1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001571150218 1025870970 /nfs/dbraw/zinc/87/09/70/1025870970.db2.gz ASKVGJOKBSCKJO-ZJUUUORDSA-N -1 0 321.337 -0.412 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001571150538 1025871038 /nfs/dbraw/zinc/87/10/38/1025871038.db2.gz JCMBIVSMNNEMMA-KYXWUPHJSA-N -1 0 321.337 -0.542 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001571150954 1025871066 /nfs/dbraw/zinc/87/10/66/1025871066.db2.gz PFBXOSPBFWCVTA-ZJUUUORDSA-N -1 0 321.337 -0.871 20 0 DBADRM CN1CC[C@H](NC(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)C1=O ZINC001571151384 1025871910 /nfs/dbraw/zinc/87/19/10/1025871910.db2.gz VPZBHHMSYFDHTA-BDAKNGLRSA-N -1 0 321.337 -0.054 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001571151273 1025872110 /nfs/dbraw/zinc/87/21/10/1025872110.db2.gz UQHUCTBZHDMZHN-ZJUUUORDSA-N -1 0 321.337 -0.492 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571151271 1025872912 /nfs/dbraw/zinc/87/29/12/1025872912.db2.gz UQHUCTBZHDMZHN-VHSXEESVSA-N -1 0 321.337 -0.492 20 0 DBADRM CN(C)C(=O)c1ccnc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC001571152806 1025873184 /nfs/dbraw/zinc/87/31/84/1025873184.db2.gz GALZYSLLZICSHI-AWEZNQCLSA-N -1 0 322.321 -0.163 20 0 DBADRM CN(C)[S@](=O)(=NS(=O)(=O)NCC(=O)[O-])c1ccccc1 ZINC001571154670 1025873805 /nfs/dbraw/zinc/87/38/05/1025873805.db2.gz SEJUHSRNPQYNQZ-LJQANCHMSA-N -1 0 321.380 -0.091 20 0 DBADRM CC(C)(CNS(C)(=O)=O)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001571154930 1025873860 /nfs/dbraw/zinc/87/38/60/1025873860.db2.gz YCLVMTBFEWWXPO-BDAKNGLRSA-N -1 0 321.399 -0.133 20 0 DBADRM C[C@](O)(C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])c1ccc(F)cc1 ZINC001571154354 1025873924 /nfs/dbraw/zinc/87/39/24/1025873924.db2.gz WQNFINYRSSPWDZ-SMDDNHRTSA-N -1 0 322.296 -0.106 20 0 DBADRM CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC001571154667 1025874072 /nfs/dbraw/zinc/87/40/72/1025874072.db2.gz SCQCVCFXTRLJHZ-JTQLQIEISA-N -1 0 321.399 -0.562 20 0 DBADRM CCO[C@H](CS(=O)(=O)NC1(C(=O)[O-])CC(CO)C1)C1CC1 ZINC001571154631 1025874096 /nfs/dbraw/zinc/87/40/96/1025874096.db2.gz QQEHADVPTGNVLU-DMLGSKKGSA-N -1 0 321.395 -0.053 20 0 DBADRM C[C@H](NC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)c1ncn(C)n1 ZINC001571154569 1025874250 /nfs/dbraw/zinc/87/42/50/1025874250.db2.gz ZQERGEVNERZLIM-SDBXPKJASA-N -1 0 322.325 -0.109 20 0 DBADRM C[C@]1(CO)CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@@]1(C)CO ZINC001571154515 1025874851 /nfs/dbraw/zinc/87/48/51/1025874851.db2.gz NZCQXZUISHLAMX-NIFPGPBJSA-N -1 0 321.395 -0.508 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)O1 ZINC001571154420 1025874892 /nfs/dbraw/zinc/87/48/92/1025874892.db2.gz YQWPASCYNWPXCA-AEJSXWLSSA-N -1 0 322.321 -0.491 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCC(CO)(CO)CC2)CCC1 ZINC001571154761 1025875221 /nfs/dbraw/zinc/87/52/21/1025875221.db2.gz VFIBGDDWHSSCHD-UHFFFAOYSA-N -1 0 321.395 -0.362 20 0 DBADRM O=C(CN1CCCC1=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001571157757 1025875582 /nfs/dbraw/zinc/87/55/82/1025875582.db2.gz BMOYKPZAXMFIHJ-ZRUFSTJUSA-N -1 0 323.349 -0.907 20 0 DBADRM CO[C@@]1(CNC(=O)[C@@H](NC(=O)[O-])C(C)C)CCS(=O)(=O)C1 ZINC001571155938 1025876368 /nfs/dbraw/zinc/87/63/68/1025876368.db2.gz IEOOXYUIVBFUAE-JOYOIKCWSA-N -1 0 322.383 -0.402 20 0 DBADRM Cc1sc2ncc(C(=O)N3CC(O)(C(=O)[O-])C3)c(=O)n2c1C ZINC001571158352 1025876421 /nfs/dbraw/zinc/87/64/21/1025876421.db2.gz KFGBBIVICULAMK-UHFFFAOYSA-N -1 0 323.330 -0.356 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)CC2 ZINC001571156353 1025876560 /nfs/dbraw/zinc/87/65/60/1025876560.db2.gz SVRNSTUHOWNTAG-ZWNOBZJWSA-N -1 0 322.365 -0.396 20 0 DBADRM COC1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1 ZINC001571156316 1025876582 /nfs/dbraw/zinc/87/65/82/1025876582.db2.gz RWHYDIUSKXCZBF-KOLCDFICSA-N -1 0 322.383 -0.484 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)CC2 ZINC001571156350 1025876981 /nfs/dbraw/zinc/87/69/81/1025876981.db2.gz SVRNSTUHOWNTAG-GWCFXTLKSA-N -1 0 322.365 -0.396 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 ZINC001571158200 1025877006 /nfs/dbraw/zinc/87/70/06/1025877006.db2.gz IJBRVTKIHILYFG-VXNVDRBHSA-N -1 0 323.330 -0.078 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CCN(CC(=O)N2CCC2)CC1 ZINC001571160706 1025877743 /nfs/dbraw/zinc/87/77/43/1025877743.db2.gz FJWGAWRBJHKFRH-STQMWFEESA-N -1 0 323.393 -0.138 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC001571158747 1025878346 /nfs/dbraw/zinc/87/83/46/1025878346.db2.gz QTZAZYNKHQRKDE-HZMBPMFUSA-N -1 0 323.353 -0.367 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)CCC(=O)NC1CCCC1 ZINC001571158592 1025878417 /nfs/dbraw/zinc/87/84/17/1025878417.db2.gz PDFBVACCZKEXPA-LLVKDONJSA-N -1 0 323.353 -0.314 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2ccc[nH]c2=O)C[C@@H]1C(=O)[O-] ZINC001571160176 1025878815 /nfs/dbraw/zinc/87/88/15/1025878815.db2.gz VMLCGZAROSVIKA-VHSXEESVSA-N -1 0 323.305 -0.198 20 0 DBADRM Cc1nnc(C2CN(S(=O)(=O)c3cccnc3C(=O)[O-])C2)[nH]1 ZINC001571158597 1025878875 /nfs/dbraw/zinc/87/88/75/1025878875.db2.gz PFKISRUMOWDSHM-UHFFFAOYSA-N -1 0 323.334 -0.006 20 0 DBADRM CN(C(=O)c1nc2n(n1)CCCN2)[C@H](COC1CCC1)C(=O)[O-] ZINC001571158752 1025879105 /nfs/dbraw/zinc/87/91/05/1025879105.db2.gz QVVSZSPJVNWGJJ-SNVBAGLBSA-N -1 0 323.353 -0.555 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1C(=O)[O-] ZINC001571163437 1025879828 /nfs/dbraw/zinc/87/98/28/1025879828.db2.gz MABUKGVEPSLCGE-BDAKNGLRSA-N -1 0 324.337 -0.021 20 0 DBADRM C[C@]1(CNC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CCC(=O)N1 ZINC001571163169 1025880181 /nfs/dbraw/zinc/88/01/81/1025880181.db2.gz FJENWOSXJMKALE-ZIAGYGMSSA-N -1 0 324.337 -0.330 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2cnn(C)c(=O)c2)C[C@@H]1C(=O)[O-] ZINC001571163956 1025880380 /nfs/dbraw/zinc/88/03/80/1025880380.db2.gz XVHAXQIJIPDHIV-DTWKUNHWSA-N -1 0 324.293 -0.882 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)[C@@]3(F)CCOC3)C2)n1 ZINC001571163428 1025880597 /nfs/dbraw/zinc/88/05/97/1025880597.db2.gz LOYIVBFDEDWKIU-LKFCYVNXSA-N -1 0 324.312 -0.262 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cc2c(cc1O)OCO2)C(=O)[O-] ZINC001571163012 1025880633 /nfs/dbraw/zinc/88/06/33/1025880633.db2.gz CBOCOSIBHJLRDC-BQBZGAKWSA-N -1 0 324.289 -0.172 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CCCOC1 ZINC001571162978 1025880751 /nfs/dbraw/zinc/88/07/51/1025880751.db2.gz AVIGNJQWHHQYSR-JTNHKYCSSA-N -1 0 324.337 -0.272 20 0 DBADRM COCc1noc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001571163978 1025880787 /nfs/dbraw/zinc/88/07/87/1025880787.db2.gz YJBXQOJOJDMOCB-QCLAVDOMSA-N -1 0 324.337 -0.327 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)Cc2nnc(C3CCOCC3)[nH]2)C1 ZINC001571163619 1025880821 /nfs/dbraw/zinc/88/08/21/1025880821.db2.gz ONGSNAQFAIDNTO-AWEZNQCLSA-N -1 0 324.337 -0.711 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccccc1OCC(=O)N(C)C)C(=O)[O-] ZINC001571164018 1025880975 /nfs/dbraw/zinc/88/09/75/1025880975.db2.gz ZMEYCXBSSKSJQJ-RNCFNFMXSA-N -1 0 324.333 -0.283 20 0 DBADRM Cn1cc(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])c(=O)[nH]c1=O ZINC001571163037 1025881039 /nfs/dbraw/zinc/88/10/39/1025881039.db2.gz DGWQRISYPMSPRX-MRVPVSSYSA-N -1 0 324.318 -0.632 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)CNC(=O)N3CCCC3)C2)C1 ZINC001571163426 1025881109 /nfs/dbraw/zinc/88/11/09/1025881109.db2.gz LKYNJPANZOHIFS-AWEZNQCLSA-N -1 0 324.337 -0.376 20 0 DBADRM CC(C)(O)CC(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C2 ZINC001571166062 1025883128 /nfs/dbraw/zinc/88/31/28/1025883128.db2.gz SAJIFCKGZWJZLV-QWRGUYRKSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C(C[C@H]1C=CCCC1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001571432807 1025988634 /nfs/dbraw/zinc/98/86/34/1025988634.db2.gz VXCDBJDGCSJOAS-QWRGUYRKSA-N -1 0 309.370 -0.177 20 0 DBADRM CC(C)(C(N)=O)C(=O)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001571689538 1026155397 /nfs/dbraw/zinc/15/53/97/1026155397.db2.gz ZVIZLAZUCYHMOX-UHFFFAOYSA-N -1 0 322.369 -0.730 20 0 DBADRM C[C@H](CNC(=O)C=C1CCC1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001571820151 1026187501 /nfs/dbraw/zinc/18/75/01/1026187501.db2.gz POJMLUKTDGHQQL-SECBINFHSA-N -1 0 323.353 -0.237 20 0 DBADRM C/C=C(/C)C(=O)N(C)[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001571854475 1026197839 /nfs/dbraw/zinc/19/78/39/1026197839.db2.gz QSWPERYCMKAPNL-RDOCRHDPSA-N -1 0 311.342 -0.381 20 0 DBADRM CNC(=O)CC(=O)NC1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001572555691 1026432371 /nfs/dbraw/zinc/43/23/71/1026432371.db2.gz VIKZGTADZBCBGS-UHFFFAOYSA-N -1 0 323.353 -0.721 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001573344828 1026551623 /nfs/dbraw/zinc/55/16/23/1026551623.db2.gz UEDWEWKKKOAELR-WDMOLILDSA-N -1 0 311.338 -0.650 20 0 DBADRM CC(=O)Nc1ccc(C(=O)Nc2ncn(CC(=O)[O-])n2)nc1 ZINC001573352634 1026551929 /nfs/dbraw/zinc/55/19/29/1026551929.db2.gz IVQVSVVLLVARQW-UHFFFAOYSA-N -1 0 304.266 -0.032 20 0 DBADRM CC(=O)NCCN(C(=O)c1cc(C=O)n(C)n1)[C@@H](C)C(=O)[O-] ZINC001573349660 1026552842 /nfs/dbraw/zinc/55/28/42/1026552842.db2.gz TYQSVKMPGUOHLX-QMMMGPOBSA-N -1 0 310.310 -0.716 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])c1cnccn1 ZINC001573362868 1026555813 /nfs/dbraw/zinc/55/58/13/1026555813.db2.gz GCTQZNNTCZGBAK-WCBMZHEXSA-N -1 0 313.335 -0.710 20 0 DBADRM CC(=O)NCc1cccc(C(=O)N(CC(N)=O)CC(=O)[O-])c1 ZINC001573375343 1026558559 /nfs/dbraw/zinc/55/85/59/1026558559.db2.gz MBYBOIQUFNETEE-UHFFFAOYSA-N -1 0 307.306 -0.665 20 0 DBADRM CC(=O)N1CC[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001573370637 1026559231 /nfs/dbraw/zinc/55/92/31/1026559231.db2.gz MFYCPMCDQUMQRO-SSDOTTSWSA-N -1 0 302.312 -0.993 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)Nc1nc(C(=O)[O-])c[nH]1)n1cccn1 ZINC001573398822 1026560701 /nfs/dbraw/zinc/56/07/01/1026560701.db2.gz IIEAQKFABNOFIO-QMMMGPOBSA-N -1 0 320.309 -0.038 20 0 DBADRM C[C@@H](C(=O)[O-])C1CN(C(=O)NCc2nnc3n2CCOC3)C1 ZINC001573398605 1026560870 /nfs/dbraw/zinc/56/08/70/1026560870.db2.gz GYADEVSAMOBCNL-MRVPVSSYSA-N -1 0 309.326 -0.330 20 0 DBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)NCCOCCOCC(=O)[O-] ZINC001573390891 1026561228 /nfs/dbraw/zinc/56/12/28/1026561228.db2.gz OBRYLHPBEOIJQT-JTQLQIEISA-N -1 0 319.358 -0.697 20 0 DBADRM C[C@H](C(=O)NCc1[nH]cnc1C(=O)[O-])[C@H](C)S(C)(=O)=O ZINC001573398969 1026561327 /nfs/dbraw/zinc/56/13/27/1026561327.db2.gz KFYYEQIIPFGLJA-BQBZGAKWSA-N -1 0 303.340 -0.207 20 0 DBADRM C[C@H](C(=O)NCc1[nH]cnc1C(=O)[O-])[C@@H](C)S(C)(=O)=O ZINC001573398971 1026562132 /nfs/dbraw/zinc/56/21/32/1026562132.db2.gz KFYYEQIIPFGLJA-NKWVEPMBSA-N -1 0 303.340 -0.207 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H]1c1n[nH]nc1C(=O)[O-])S(C)(=O)=O ZINC001573400260 1026562512 /nfs/dbraw/zinc/56/25/12/1026562512.db2.gz VOPKAUIZFHGQDQ-RNFRBKRXSA-N -1 0 316.339 -0.401 20 0 DBADRM CC(=O)CCCC(=O)N[C@H](C)CN(C)C(=O)CNC(=O)[O-] ZINC001573399179 1026562768 /nfs/dbraw/zinc/56/27/68/1026562768.db2.gz HIMSAAVGVVVUBD-SECBINFHSA-N -1 0 301.343 -0.024 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001573401274 1026562951 /nfs/dbraw/zinc/56/29/51/1026562951.db2.gz BSAGAQSHTMYCFI-BDAKNGLRSA-N -1 0 323.353 -0.042 20 0 DBADRM CC(=O)N(C)CCCC(=O)NC[C@@H](C)NC(=O)CNC(=O)[O-] ZINC001573400503 1026563504 /nfs/dbraw/zinc/56/35/04/1026563504.db2.gz BSGZIDCHRNICOO-SECBINFHSA-N -1 0 316.358 -0.867 20 0 DBADRM CC(=O)CCCC(=O)NC[C@H]1CCN(C(=O)CNC(=O)[O-])C1 ZINC001573400037 1026564084 /nfs/dbraw/zinc/56/40/84/1026564084.db2.gz QBFOZLRWHAKOBL-LLVKDONJSA-N -1 0 313.354 -0.022 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H](C)[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001573401286 1026564229 /nfs/dbraw/zinc/56/42/29/1026564229.db2.gz BSAGAQSHTMYCFI-DTWKUNHWSA-N -1 0 323.353 -0.042 20 0 DBADRM CC(C)(C)OC(=O)[C@]1(C(=O)NC[C@@](C)(O)C(=O)[O-])CCCO1 ZINC001573406883 1026564580 /nfs/dbraw/zinc/56/45/80/1026564580.db2.gz IIFHMNJYMGYIDG-ZIAGYGMSSA-N -1 0 317.338 -0.171 20 0 DBADRM CC(=O)N1C[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)Oc2ccccc21 ZINC001573410264 1026565216 /nfs/dbraw/zinc/56/52/16/1026565216.db2.gz MXHYORPWKARQLC-WQHBLYJGSA-N -1 0 322.317 -0.249 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573407347 1026565886 /nfs/dbraw/zinc/56/58/86/1026565886.db2.gz IXOKLXHOUSUGES-NXEZZACHSA-N -1 0 315.370 -0.374 20 0 DBADRM CC(=O)N1CCC(C(=O)NCCC(=O)NCCC(=O)[O-])CC1 ZINC001573410218 1026566342 /nfs/dbraw/zinc/56/63/42/1026566342.db2.gz LERIOWBAIUIIKT-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N[C@H](CC2OCCO2)C(=O)[O-])C1 ZINC001573411059 1026567896 /nfs/dbraw/zinc/56/78/96/1026567896.db2.gz HYPCTHWGOYOKAM-GHMZBOCLSA-N -1 0 314.338 -0.423 20 0 DBADRM CC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])CCO2 ZINC001573411123 1026567912 /nfs/dbraw/zinc/56/79/12/1026567912.db2.gz JMORJDSXHUZUOU-VXGBXAGGSA-N -1 0 310.350 -0.053 20 0 DBADRM CC(=O)N[C@H](C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-])C(C)C ZINC001573417250 1026568425 /nfs/dbraw/zinc/56/84/25/1026568425.db2.gz HKTBYCSSEFUZCF-JQWIXIFHSA-N -1 0 316.354 -0.130 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001573421360 1026569221 /nfs/dbraw/zinc/56/92/21/1026569221.db2.gz KDRXNAYCABOYHD-WPRPVWTQSA-N -1 0 321.337 -0.606 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)c1ccnc(C(=O)[O-])n1 ZINC001573422149 1026569810 /nfs/dbraw/zinc/56/98/10/1026569810.db2.gz PPXICUAMUOLQAY-VIFPVBQESA-N -1 0 323.353 -0.406 20 0 DBADRM CC(=O)N[C@@](C)(C(=O)NCCn1cc(C(=O)[O-])nn1)C(C)C ZINC001573418039 1026569893 /nfs/dbraw/zinc/56/98/93/1026569893.db2.gz MIQHORJEFXFMPO-CYBMUJFWSA-N -1 0 311.342 -0.357 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)c1ncc(C(=O)[O-])cn1 ZINC001573421947 1026569905 /nfs/dbraw/zinc/56/99/05/1026569905.db2.gz NXWLZMVDVHJLTK-BDAKNGLRSA-N -1 0 323.353 -0.360 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CCNc1ccnc(C(=O)[O-])n1 ZINC001573420308 1026569924 /nfs/dbraw/zinc/56/99/24/1026569924.db2.gz ADAXEYSVCCTYLW-DTWKUNHWSA-N -1 0 323.353 -0.572 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CC1 ZINC001573421285 1026569933 /nfs/dbraw/zinc/56/99/33/1026569933.db2.gz ISLKSLUABDESEQ-QMMMGPOBSA-N -1 0 321.337 -0.240 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001573420878 1026569976 /nfs/dbraw/zinc/56/99/76/1026569976.db2.gz GADQZXUBFKVBBG-QMMMGPOBSA-N -1 0 320.367 -0.951 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001573421773 1026570059 /nfs/dbraw/zinc/57/00/59/1026570059.db2.gz LZEMGBUFADMELS-DTWKUNHWSA-N -1 0 323.353 -0.620 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001573421008 1026570326 /nfs/dbraw/zinc/57/03/26/1026570326.db2.gz GYNFLLHEMLCYAP-DTWKUNHWSA-N -1 0 323.353 -0.620 20 0 DBADRM CC(=O)NCC(=O)N(C)C1CC(Nc2ccnc(C(=O)[O-])n2)C1 ZINC001573427865 1026570714 /nfs/dbraw/zinc/57/07/14/1026570714.db2.gz LDVXKQALJYVFBH-UHFFFAOYSA-N -1 0 321.337 -0.866 20 0 DBADRM CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001573427862 1026571065 /nfs/dbraw/zinc/57/10/65/1026571065.db2.gz LCJIJKUITSUFBJ-WHOHXGKFSA-N -1 0 323.349 -0.955 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573422987 1026572144 /nfs/dbraw/zinc/57/21/44/1026572144.db2.gz VLJUKBAXMZVFID-JGVFFNPUSA-N -1 0 309.326 -0.384 20 0 DBADRM CC(=O)NCC(=O)N[C@H](CNC(=O)CNC(=O)[O-])CC(C)C ZINC001573429130 1026572567 /nfs/dbraw/zinc/57/25/67/1026572567.db2.gz DEYWZFZVTNRKMH-JTQLQIEISA-N -1 0 316.358 -0.963 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)NC(=O)CNC(=O)[O-] ZINC001573430565 1026572617 /nfs/dbraw/zinc/57/26/17/1026572617.db2.gz SDEIGDPHUDVSMW-QMMMGPOBSA-N -1 0 316.358 -0.963 20 0 DBADRM CC(=O)NCC(=O)N[C@]1(C)CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001573430221 1026572646 /nfs/dbraw/zinc/57/26/46/1026572646.db2.gz QNDPRBZOWXGKNO-CQSZACIVSA-N -1 0 321.337 -0.604 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001573429451 1026572831 /nfs/dbraw/zinc/57/28/31/1026572831.db2.gz INRFFALZZIPPQK-JTQLQIEISA-N -1 0 321.337 -0.961 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001573429153 1026573033 /nfs/dbraw/zinc/57/30/33/1026573033.db2.gz DVWCQJKXAOSCEZ-LBPRGKRZSA-N -1 0 319.317 -0.110 20 0 DBADRM CC(=O)NCC(=O)N[C@@]1(C)CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001573430142 1026573301 /nfs/dbraw/zinc/57/33/01/1026573301.db2.gz OBAKHNBQCFCLNP-AWEZNQCLSA-N -1 0 321.337 -0.604 20 0 DBADRM CC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccnc(C(=O)[O-])n1 ZINC001573430939 1026573443 /nfs/dbraw/zinc/57/34/43/1026573443.db2.gz XBTYRUYOYWAERL-MRVPVSSYSA-N -1 0 309.326 -0.748 20 0 DBADRM CC(=O)N[C@@H](C(=O)N[C@H](C)CNC(=O)CNC(=O)[O-])C(C)C ZINC001573436351 1026574867 /nfs/dbraw/zinc/57/48/67/1026574867.db2.gz MSBOIUOAVFEPFE-LDYMZIIASA-N -1 0 316.358 -0.964 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)CCO1 ZINC001573435141 1026574884 /nfs/dbraw/zinc/57/48/84/1026574884.db2.gz WTLLFIKFEHTGIY-VIFPVBQESA-N -1 0 310.310 -0.905 20 0 DBADRM CC(=O)NCC(=O)NC[C@@H](C)N(C)c1ncc(C(=O)[O-])cn1 ZINC001573431141 1026574984 /nfs/dbraw/zinc/57/49/84/1026574984.db2.gz ZBGAHWVMTHUNQX-MRVPVSSYSA-N -1 0 309.326 -0.748 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)NCC(C)(C)CC(=O)[O-] ZINC001573433932 1026575276 /nfs/dbraw/zinc/57/52/76/1026575276.db2.gz JBICSNMZTZOVPY-UHFFFAOYSA-N -1 0 315.370 -0.364 20 0 DBADRM CC(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001573436636 1026575782 /nfs/dbraw/zinc/57/57/82/1026575782.db2.gz XOAQIQBAWKAOCF-IUCAKERBSA-N -1 0 308.294 -0.845 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NCc1ccc(NC(=O)[O-])cc1)C(N)=O ZINC001573436458 1026576063 /nfs/dbraw/zinc/57/60/63/1026576063.db2.gz QIPDKBBSTHORNB-NSHDSACASA-N -1 0 322.321 -0.227 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)COCC(=O)[O-] ZINC001573447969 1026576891 /nfs/dbraw/zinc/57/68/91/1026576891.db2.gz QKQNLCUWQDCMCN-MRVPVSSYSA-N -1 0 306.315 -0.911 20 0 DBADRM CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)CC(=O)[O-] ZINC001573459766 1026578188 /nfs/dbraw/zinc/57/81/88/1026578188.db2.gz IXPBYTGAJPUUEI-YUMQZZPRSA-N -1 0 304.368 -0.362 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N(CC(=O)[O-])C1CC1 ZINC001573468090 1026579514 /nfs/dbraw/zinc/57/95/14/1026579514.db2.gz DQIXEGBHRYWOQF-VIFPVBQESA-N -1 0 302.327 -0.052 20 0 DBADRM CC(C)(CC(=O)[O-])NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001573467480 1026579612 /nfs/dbraw/zinc/57/96/12/1026579612.db2.gz DXPJYSQQXKGVIO-SSDOTTSWSA-N -1 0 311.298 -0.630 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001573468699 1026579913 /nfs/dbraw/zinc/57/99/13/1026579913.db2.gz QKCXJYZBUBYZTP-CIUDSAMLSA-N -1 0 302.327 -0.291 20 0 DBADRM CC(C)(C)n1cc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)nn1 ZINC001573475461 1026580324 /nfs/dbraw/zinc/58/03/24/1026580324.db2.gz OWZFNHLSYHHZFU-BDAKNGLRSA-N -1 0 311.342 -0.266 20 0 DBADRM CC(C)(C)OC(=O)c1cc(C(=O)NC[C@](C)(O)C(=O)[O-])[nH]n1 ZINC001573468442 1026580432 /nfs/dbraw/zinc/58/04/32/1026580432.db2.gz LBGZXBYLYQAPJN-ZDUSSCGKSA-N -1 0 313.310 -0.070 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)CS(N)(=O)=O ZINC001573482343 1026582398 /nfs/dbraw/zinc/58/23/98/1026582398.db2.gz UADWKQAKDWMOJE-DTWKUNHWSA-N -1 0 306.384 -0.082 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1)C(=O)[O-] ZINC001573489640 1026582853 /nfs/dbraw/zinc/58/28/53/1026582853.db2.gz HABBDXMSSZZUBN-SRVKXCTJSA-N -1 0 322.365 -0.111 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC001573531403 1026583736 /nfs/dbraw/zinc/58/37/36/1026583736.db2.gz POFZKOHEUBLICX-ZANVPECISA-N -1 0 301.343 -0.323 20 0 DBADRM CC(C)CN1C[C@H]2CN(C(=O)[C@@H](O)CC(=O)[O-])CCN2C1=O ZINC001573516077 1026583982 /nfs/dbraw/zinc/58/39/82/1026583982.db2.gz KHFDFOUOQAXQPK-MNOVXSKESA-N -1 0 313.354 -0.574 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001573530998 1026584096 /nfs/dbraw/zinc/58/40/96/1026584096.db2.gz KOPJBUKPZZZCHI-GUBZILKMSA-N -1 0 301.343 -0.182 20 0 DBADRM CC(C)C[C@H](O)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001573516804 1026584130 /nfs/dbraw/zinc/58/41/30/1026584130.db2.gz JCKZKGTUYLZXSW-JTQLQIEISA-N -1 0 321.395 -0.211 20 0 DBADRM CC(C)N(C[C@@H](O)CO)C(=O)NCc1cc(C(=O)[O-])no1 ZINC001573519787 1026584256 /nfs/dbraw/zinc/58/42/56/1026584256.db2.gz YJKHFWVAEMQHPI-MRVPVSSYSA-N -1 0 301.299 -0.354 20 0 DBADRM CC(C)NS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001573524729 1026585036 /nfs/dbraw/zinc/58/50/36/1026585036.db2.gz HVLYJOAQQHCWRR-NXEZZACHSA-N -1 0 319.383 -0.906 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001573530994 1026585164 /nfs/dbraw/zinc/58/51/64/1026585164.db2.gz KOPJBUKPZZZCHI-AEJSXWLSSA-N -1 0 301.343 -0.182 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001573531775 1026585225 /nfs/dbraw/zinc/58/52/25/1026585225.db2.gz WJKGDFKVTXZRJV-QMMMGPOBSA-N -1 0 304.328 -0.380 20 0 DBADRM CC(C)CN1C[C@H]2CN(C(=O)[C@H](O)CC(=O)[O-])CCN2C1=O ZINC001573516076 1026585305 /nfs/dbraw/zinc/58/53/05/1026585305.db2.gz KHFDFOUOQAXQPK-GHMZBOCLSA-N -1 0 313.354 -0.574 20 0 DBADRM C[C@@H](CCC(=O)[O-])NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001573543686 1026586165 /nfs/dbraw/zinc/58/61/65/1026586165.db2.gz UMGNBCPYCYHBTJ-JGVFFNPUSA-N -1 0 311.298 -0.630 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001573543724 1026586413 /nfs/dbraw/zinc/58/64/13/1026586413.db2.gz VCEGJFLEASZWKF-MRVPVSSYSA-N -1 0 313.397 -0.264 20 0 DBADRM C[C@H](CC(=O)N[C@@H](C)C1(C(=O)[O-])CCOCC1)NC(N)=O ZINC001573535571 1026586352 /nfs/dbraw/zinc/58/63/52/1026586352.db2.gz ODEBHLRAURDFIG-BDAKNGLRSA-N -1 0 301.343 -0.181 20 0 DBADRM CC(C)n1ncc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)c1N ZINC001573534671 1026586586 /nfs/dbraw/zinc/58/65/86/1026586586.db2.gz CFXSXAUEDNCDFX-SCZZXKLOSA-N -1 0 311.342 -0.253 20 0 DBADRM C[C@H](CN(C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)[O-])C1)c1nnn[n-]1 ZINC001573543659 1026586773 /nfs/dbraw/zinc/58/67/73/1026586773.db2.gz UIGKAPOCYKCQEG-NXEZZACHSA-N -1 0 310.358 -0.442 20 0 DBADRM CC(C)n1ncc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)c1N ZINC001573534670 1026587681 /nfs/dbraw/zinc/58/76/81/1026587681.db2.gz CFXSXAUEDNCDFX-PSASIEDQSA-N -1 0 311.342 -0.253 20 0 DBADRM C[C@H](CNC(=O)c1nc2ncc(CCO)cn2n1)CC(=O)[O-] ZINC001573550695 1026588409 /nfs/dbraw/zinc/58/84/09/1026588409.db2.gz HNDWKADGRJAXLY-QMMMGPOBSA-N -1 0 307.310 -0.500 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCCc1cn(C)cn1)C(=O)[O-] ZINC001573554022 1026588753 /nfs/dbraw/zinc/58/87/53/1026588753.db2.gz OQZWYHAFAOBVIU-IUCAKERBSA-N -1 0 311.342 -0.760 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573551089 1026588981 /nfs/dbraw/zinc/58/89/81/1026588981.db2.gz RBIAZXYESNDEGR-GFIAGRMLSA-N -1 0 307.372 -0.977 20 0 DBADRM C[C@@H](NC(=O)Cn1nnc2ccccc21)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573552158 1026589147 /nfs/dbraw/zinc/58/91/47/1026589147.db2.gz DVNLSRCYFLPIQI-BDAKNGLRSA-N -1 0 319.321 -0.475 20 0 DBADRM C[C@@H](NC(=O)NCCc1cn(C)cn1)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573554019 1026589155 /nfs/dbraw/zinc/58/91/55/1026589155.db2.gz OQZWYHAFAOBVIU-BDAKNGLRSA-N -1 0 311.342 -0.760 20 0 DBADRM C[C@H](CNC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)CC(=O)[O-] ZINC001573551693 1026589571 /nfs/dbraw/zinc/58/95/71/1026589571.db2.gz OHMMERPOZZISAT-JGVFFNPUSA-N -1 0 311.298 -0.773 20 0 DBADRM C[C@@H](NC(=O)C1(S(C)(=O)=O)CC1)c1nc(C(=O)[O-])n[nH]1 ZINC001573560126 1026590580 /nfs/dbraw/zinc/59/05/80/1026590580.db2.gz QAMQCMIXVBLVFT-RXMQYKEDSA-N -1 0 302.312 -0.743 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)c1nc(C(=O)[O-])n[nH]1 ZINC001573560135 1026590612 /nfs/dbraw/zinc/59/06/12/1026590612.db2.gz QITOIRXTYSXJAS-WDSKDSINSA-N -1 0 302.312 -0.743 20 0 DBADRM C[C@@H](NC(=O)[C@]1(C)CCCS1(=O)=O)c1nc(C(=O)[O-])n[nH]1 ZINC001573560100 1026590761 /nfs/dbraw/zinc/59/07/61/1026590761.db2.gz PNWVOUSVAHAOCO-KBUNVGBDSA-N -1 0 316.339 -0.353 20 0 DBADRM C[C@H](NC(=O)C1CCS(=O)(=O)CC1)c1nc(C(=O)[O-])n[nH]1 ZINC001573560534 1026591149 /nfs/dbraw/zinc/59/11/49/1026591149.db2.gz VFRJIYROJJDLOX-LURJTMIESA-N -1 0 316.339 -0.495 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)NC(=O)Cn1ncc2cccnc21)C(=O)[O-] ZINC001573554039 1026590918 /nfs/dbraw/zinc/59/09/18/1026590918.db2.gz PHUPDJQVJAXBDK-RKDXNWHRSA-N -1 0 319.321 -0.475 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NC(=O)Cn1ncc2cccnc21)C(=O)[O-] ZINC001573554037 1026591014 /nfs/dbraw/zinc/59/10/14/1026591014.db2.gz PHUPDJQVJAXBDK-DTWKUNHWSA-N -1 0 319.321 -0.475 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cccn(C2CC2)c1=O)C(=O)[O-] ZINC001573560084 1026591314 /nfs/dbraw/zinc/59/13/14/1026591314.db2.gz PHXFYNUQLIOCCG-IUCAKERBSA-N -1 0 321.333 -0.109 20 0 DBADRM C[C@H](NC(=O)C1(n2cnnn2)CC1)C1(C(=O)[O-])CCOCC1 ZINC001573559987 1026591334 /nfs/dbraw/zinc/59/13/34/1026591334.db2.gz NIDFZORDFURSFH-VIFPVBQESA-N -1 0 309.326 -0.452 20 0 DBADRM C[C@@H](Nc1nccc(S(C)(=O)=O)n1)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573559471 1026591453 /nfs/dbraw/zinc/59/14/53/1026591453.db2.gz DFDNWMOBCWIVST-RQJHMYQMSA-N -1 0 316.339 -0.730 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCCS1(=O)=O)c1nc(C(=O)[O-])n[nH]1 ZINC001573560133 1026591652 /nfs/dbraw/zinc/59/16/52/1026591652.db2.gz QITOIRXTYSXJAS-PHDIDXHHSA-N -1 0 302.312 -0.743 20 0 DBADRM C[C@H](NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO)c1ncn(C)n1 ZINC001573562961 1026593280 /nfs/dbraw/zinc/59/32/80/1026593280.db2.gz QPGCSRVVDRWERS-XHNCKOQMSA-N -1 0 312.330 -0.854 20 0 DBADRM C[C@@](O)(CNC(=O)C1CCC(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001573582923 1026597269 /nfs/dbraw/zinc/59/72/69/1026597269.db2.gz PSZHSIRTAHVBHC-SHVIVCPWSA-N -1 0 307.368 -0.458 20 0 DBADRM C[C@H](NC(=O)Nc1nn(C)cc1C(=O)[O-])C1N=NC(=O)N1C ZINC001573563887 1026593635 /nfs/dbraw/zinc/59/36/35/1026593635.db2.gz XGDOLXVMTMOGNR-YFKPBYRVSA-N -1 0 309.286 -0.165 20 0 DBADRM C[C@H](NC(=O)NCc1cc(C(=O)[O-])no1)[C@H]1CN(C)CCO1 ZINC001573561544 1026593682 /nfs/dbraw/zinc/59/36/82/1026593682.db2.gz HQOKUYPZTOYSAD-GZMMTYOYSA-N -1 0 312.326 -0.109 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1(C(=O)[O-])CCOCC1 ZINC001573568953 1026593780 /nfs/dbraw/zinc/59/37/80/1026593780.db2.gz JUIJLAGXXXPXCP-KXUCPTDWSA-N -1 0 314.338 -0.595 20 0 DBADRM C[C@H](NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO)c1cnn(C)c1 ZINC001573563338 1026593802 /nfs/dbraw/zinc/59/38/02/1026593802.db2.gz SWRVIRIUZZWYIG-JMJZKYOTSA-N -1 0 311.342 -0.249 20 0 DBADRM C[C@H](NC(=O)c1ccc(NC(=O)C2(O)COC2)cc1)C(=O)[O-] ZINC001573569291 1026594002 /nfs/dbraw/zinc/59/40/02/1026594002.db2.gz UBFCMOVTWAERSQ-QMMMGPOBSA-N -1 0 308.290 -0.411 20 0 DBADRM C[C@@H](NC(=O)c1cncc2ncn(C)c21)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573560739 1026594097 /nfs/dbraw/zinc/59/40/97/1026594097.db2.gz XFUUUEMWDYXHAC-SFYZADRCSA-N -1 0 319.321 -0.324 20 0 DBADRM C[C@H](NS(=O)(=O)N(C)CC1CC1)c1nc(C(=O)[O-])n[nH]1 ZINC001573578617 1026595646 /nfs/dbraw/zinc/59/56/46/1026595646.db2.gz INTJRFXRHGKVHI-LURJTMIESA-N -1 0 303.344 -0.260 20 0 DBADRM C[C@H](NS(=O)(=O)C1CCC(=O)CC1)c1nc(C(=O)[O-])n[nH]1 ZINC001573578334 1026595820 /nfs/dbraw/zinc/59/58/20/1026595820.db2.gz CRRIPTRVSCMQDO-LURJTMIESA-N -1 0 316.339 -0.005 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cn(C)cn1)c1nc(C(=O)[O-])n[nH]1 ZINC001573578786 1026595957 /nfs/dbraw/zinc/59/59/57/1026595957.db2.gz MTTOEVJJTYINAB-RXMQYKEDSA-N -1 0 300.300 -0.724 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001573581071 1026596041 /nfs/dbraw/zinc/59/60/41/1026596041.db2.gz HMXOIFYNYAFQSV-DDFXLWFNSA-N -1 0 320.345 -0.222 20 0 DBADRM C[C@H](NS(=O)(=O)C1CCN(C(=O)[O-])CC1)c1nnnn1C ZINC001573580186 1026596191 /nfs/dbraw/zinc/59/61/91/1026596191.db2.gz XTWKPSOJTVRSRS-ZETCQYMHSA-N -1 0 318.359 -0.667 20 0 DBADRM C[C@H](CNC(=O)N1CCC(C(=O)NCCO)CC1)C(=O)[O-] ZINC001573594252 1026598255 /nfs/dbraw/zinc/59/82/55/1026598255.db2.gz XYMVEZKOUJKHIK-SECBINFHSA-N -1 0 301.343 -0.763 20 0 DBADRM C[C@]1(C(=O)Nc2cccn(CC(=O)[O-])c2=O)CCNC(=O)C1 ZINC001573600890 1026600456 /nfs/dbraw/zinc/60/04/56/1026600456.db2.gz KTCJYLYFTFEHTF-AWEZNQCLSA-N -1 0 307.306 -0.212 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001573626763 1026603761 /nfs/dbraw/zinc/60/37/61/1026603761.db2.gz RZPHWWWIBNLYAO-VIFPVBQESA-N -1 0 315.351 -0.155 20 0 DBADRM C[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)C(=O)NCc1ccco1 ZINC001573626219 1026604190 /nfs/dbraw/zinc/60/41/90/1026604190.db2.gz ZGNBAVPLQHBHNP-QMMMGPOBSA-N -1 0 321.293 -0.610 20 0 DBADRM C[C@@H](NS(=O)(=O)N1CC[C@H](C)C1)c1nc(C(=O)[O-])n[nH]1 ZINC001573646827 1026605273 /nfs/dbraw/zinc/60/52/73/1026605273.db2.gz VPDRCUKSROZRNP-NKWVEPMBSA-N -1 0 303.344 -0.260 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)NC[C@@]2(C(=O)[O-])CCCOC2)C(=O)O1 ZINC001573634957 1026606036 /nfs/dbraw/zinc/60/60/36/1026606036.db2.gz GZQBNQUJCMDDOP-ZDMBXUJBSA-N -1 0 300.311 -0.129 20 0 DBADRM C[C@H]1CN(C(=O)c2ccnc3c(C(=O)[O-])cnn32)CC(=O)N1 ZINC001573649704 1026606739 /nfs/dbraw/zinc/60/67/39/1026606739.db2.gz RGVQHRCSKQQUSL-ZETCQYMHSA-N -1 0 303.278 -0.612 20 0 DBADRM C[C@H]1C[C@H](CS(=O)(=O)N(CC(N)=O)CC(=O)[O-])CCO1 ZINC001573635183 1026607141 /nfs/dbraw/zinc/60/71/41/1026607141.db2.gz WJHLMJZTZBAERQ-DTWKUNHWSA-N -1 0 308.356 -0.997 20 0 DBADRM C[C@@]1(C(N)=O)CCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001573654142 1026608793 /nfs/dbraw/zinc/60/87/93/1026608793.db2.gz VJIXEBIOCVZWRE-CYBMUJFWSA-N -1 0 317.342 -0.989 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)C1 ZINC001573654072 1026609125 /nfs/dbraw/zinc/60/91/25/1026609125.db2.gz RPWAQCZHFWTEDN-AMIZOPFISA-N -1 0 323.309 -0.677 20 0 DBADRM C[C@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)N[C@H]1CCNC1=O ZINC001573653834 1026609402 /nfs/dbraw/zinc/60/94/02/1026609402.db2.gz DDNJEHZHEWIVGJ-CBAPKCEASA-N -1 0 307.310 -0.617 20 0 DBADRM C[C@H]1Cn2nc(C(=O)[O-])cc2CN1c1cc(=O)n(C)c(=O)[nH]1 ZINC001573654329 1026609502 /nfs/dbraw/zinc/60/95/02/1026609502.db2.gz HBTWMCFPMVNDLX-ZETCQYMHSA-N -1 0 305.294 -0.211 20 0 DBADRM CC[C@H](C)C[C@@H](NC(=O)C1=NN(CCO)C(=O)CC1)C(=O)[O-] ZINC001573672536 1026614247 /nfs/dbraw/zinc/61/42/47/1026614247.db2.gz JHDQFIZDCXZADA-GXSJLCMTSA-N -1 0 313.354 -0.037 20 0 DBADRM CC[C@@H](C)C[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C(=O)[O-] ZINC001573674046 1026616225 /nfs/dbraw/zinc/61/62/25/1026616225.db2.gz RJYGERGXWVYMJS-YNVCDSSISA-N -1 0 301.339 -0.595 20 0 DBADRM CC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573680068 1026619461 /nfs/dbraw/zinc/61/94/61/1026619461.db2.gz ZJPWVKUTLVWFRU-BQBZGAKWSA-N -1 0 318.355 -0.311 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NCc1nnnn1C1CC1 ZINC001573724022 1026623134 /nfs/dbraw/zinc/62/31/34/1026623134.db2.gz BXNQSNAKDQEARS-MRVPVSSYSA-N -1 0 303.344 -0.319 20 0 DBADRM CCC[C@@H](C(=O)N1CCO[C@](C)(C(=O)[O-])C1)S(N)(=O)=O ZINC001573721233 1026623335 /nfs/dbraw/zinc/62/33/35/1026623335.db2.gz CRZFLKNZTBKDEH-KWQFWETISA-N -1 0 308.356 -0.854 20 0 DBADRM C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)N1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001573711411 1026623478 /nfs/dbraw/zinc/62/34/78/1026623478.db2.gz MXADNKNJZWNWQN-HRDYMLBCSA-N -1 0 309.326 -0.523 20 0 DBADRM CC[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])N1CCO[C@H](CC)C1 ZINC001573723372 1026624102 /nfs/dbraw/zinc/62/41/02/1026624102.db2.gz WWFUBYMTEHGCGQ-JTNHKYCSSA-N -1 0 302.371 -0.172 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N1CC[C@@H](NC(=O)NC)C1 ZINC001573724344 1026625002 /nfs/dbraw/zinc/62/50/02/1026625002.db2.gz IYPGUUZDGCGCDS-BDAKNGLRSA-N -1 0 307.372 -0.427 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@](C)(COC)C(=O)OC ZINC001573724398 1026625035 /nfs/dbraw/zinc/62/50/35/1026625035.db2.gz JRZVFNKMKNYZEB-LDYMZIIASA-N -1 0 311.356 -0.263 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NCCS(=O)(=O)C1CC1 ZINC001573724275 1026625269 /nfs/dbraw/zinc/62/52/69/1026625269.db2.gz HXHHARWFXXVAIA-VIFPVBQESA-N -1 0 313.397 -0.264 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC001573724607 1026625330 /nfs/dbraw/zinc/62/53/30/1026625330.db2.gz NPZUHVOSPVHRAY-DJLDLDEBSA-N -1 0 308.356 -0.808 20 0 DBADRM CCC[C@H](O)[C@@H](CO)NC(=O)NCc1cc(C(=O)[O-])no1 ZINC001573732929 1026625408 /nfs/dbraw/zinc/62/54/08/1026625408.db2.gz AKGDUYMWTRFNLE-ZJUUUORDSA-N -1 0 301.299 -0.306 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573733203 1026625853 /nfs/dbraw/zinc/62/58/53/1026625853.db2.gz FZEBGWNUTVWSDK-GUBZILKMSA-N -1 0 316.358 -0.700 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N[C@@H](CO)c1cnn(C)c1 ZINC001573725360 1026625870 /nfs/dbraw/zinc/62/58/70/1026625870.db2.gz YUIQIFQWHAOZIO-UWVGGRQHSA-N -1 0 305.356 -0.374 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NCC(=O)c1cnn(C)c1 ZINC001573724904 1026625909 /nfs/dbraw/zinc/62/59/09/1026625909.db2.gz UHOISIZEAYPFCA-SNVBAGLBSA-N -1 0 303.340 -0.225 20 0 DBADRM CCCNC(=O)[C@@H](C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573759425 1026626824 /nfs/dbraw/zinc/62/68/24/1026626824.db2.gz FNXZLSWXZGGUTF-SSDOTTSWSA-N -1 0 318.355 -0.391 20 0 DBADRM CCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001573750800 1026626913 /nfs/dbraw/zinc/62/69/13/1026626913.db2.gz ICVQIIFTMUWGBA-DCXZOGHSSA-N -1 0 315.417 -0.009 20 0 DBADRM CCCNC(=O)Cn1c(C)nnc1N1CCN(C(=O)[O-])CC1 ZINC001573760642 1026627074 /nfs/dbraw/zinc/62/70/74/1026627074.db2.gz SEIABRMDJNQVGC-UHFFFAOYSA-N -1 0 310.358 -0.087 20 0 DBADRM CCCNC(=O)Cc1csc(NC(=O)[C@H](O)CC(=O)[O-])n1 ZINC001573760895 1026627764 /nfs/dbraw/zinc/62/77/64/1026627764.db2.gz WWXATGQOVNMSBV-MRVPVSSYSA-N -1 0 315.351 -0.014 20 0 DBADRM CCCN([C@@H](COC)C(=O)[O-])S(=O)(=O)N=S(C)(C)=O ZINC001573751065 1026628300 /nfs/dbraw/zinc/62/83/00/1026628300.db2.gz OBBUIIHJWMZELR-QMMMGPOBSA-N -1 0 316.401 -0.230 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001573769463 1026629323 /nfs/dbraw/zinc/62/93/23/1026629323.db2.gz VOGZRBKPTQJPDQ-KGLIPLIRSA-N -1 0 321.333 -0.087 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001573777628 1026631583 /nfs/dbraw/zinc/63/15/83/1026631583.db2.gz FFKVHFYYKQCJFC-UHFFFAOYSA-N -1 0 310.310 -0.733 20 0 DBADRM CCOC(=O)[C@@H](NC(=O)CNC(=O)[O-])[C@H](O)c1cccnc1 ZINC001573784034 1026631929 /nfs/dbraw/zinc/63/19/29/1026631929.db2.gz AIFKUKGZGVWORZ-WDEREUQCSA-N -1 0 311.294 -0.570 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573781959 1026632370 /nfs/dbraw/zinc/63/23/70/1026632370.db2.gz MPAIDCWOWQUAFV-QCLAVDOMSA-N -1 0 314.338 -0.330 20 0 DBADRM CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)[C@H](O)CC(=O)[O-] ZINC001573785258 1026632969 /nfs/dbraw/zinc/63/29/69/1026632969.db2.gz RXTRSUOUYCZULR-NXEZZACHSA-N -1 0 317.338 -0.171 20 0 DBADRM CCOC(=O)C1([S@@](C)=O)CCN(C(=O)CNC(=O)[O-])CC1 ZINC001573784038 1026633098 /nfs/dbraw/zinc/63/30/98/1026633098.db2.gz AIYUPBUBPQCXSV-OAQYLSRUSA-N -1 0 320.367 -0.443 20 0 DBADRM CCOC(=O)CCS(=O)(=O)NCc1[nH]cnc1C(=O)[O-] ZINC001573787536 1026634166 /nfs/dbraw/zinc/63/41/66/1026634166.db2.gz FEMZQBXHMAGGOF-UHFFFAOYSA-N -1 0 305.312 -0.520 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001573786619 1026634249 /nfs/dbraw/zinc/63/42/49/1026634249.db2.gz WMORJCZAZCJOJZ-ZYHUDNBSSA-N -1 0 311.290 -0.052 20 0 DBADRM CCOC(=O)CNC(=O)[C@H]1COCCN1C[C@@H]1C[C@H]1C(=O)[O-] ZINC001573787763 1026634309 /nfs/dbraw/zinc/63/43/09/1026634309.db2.gz LGDHAPPSOHMODV-HBNTYKKESA-N -1 0 314.338 -0.913 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001573786618 1026634642 /nfs/dbraw/zinc/63/46/42/1026634642.db2.gz WMORJCZAZCJOJZ-PWSUYJOCSA-N -1 0 311.290 -0.052 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-] ZINC001573786608 1026634764 /nfs/dbraw/zinc/63/47/64/1026634764.db2.gz WKBQGRUTONIWNW-NXEZZACHSA-N -1 0 317.338 -0.171 20 0 DBADRM CCOC(=O)C[C@H](CO)NC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC001573786598 1026634777 /nfs/dbraw/zinc/63/47/77/1026634777.db2.gz WCIHIDQIEBASOY-SFYZADRCSA-N -1 0 306.340 -0.530 20 0 DBADRM CCOC(=O)[C@H]1CCCN(CC(=O)N[C@@H](COC)C(=O)[O-])C1 ZINC001573786450 1026634931 /nfs/dbraw/zinc/63/49/31/1026634931.db2.gz SGVJHWKUWZEMBG-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM CCOC(=O)c1cn(CCNS(=O)(=O)CCC(=O)[O-])cn1 ZINC001573793249 1026636819 /nfs/dbraw/zinc/63/68/19/1026636819.db2.gz DAYJIZUVAFDIFJ-UHFFFAOYSA-N -1 0 319.339 -0.546 20 0 DBADRM CCO[C@H]1C[C@@H](NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)C1 ZINC001573800955 1026637015 /nfs/dbraw/zinc/63/70/15/1026637015.db2.gz CPGSXEZTOWHUJK-UKKRHICBSA-N -1 0 301.343 -0.176 20 0 DBADRM CC[C@@H](CNC(=O)NC[C@]1(OC)CCS(=O)(=O)C1)C(=O)[O-] ZINC001573798046 1026637156 /nfs/dbraw/zinc/63/71/56/1026637156.db2.gz MHSLAOZYGOWGRU-JOYOIKCWSA-N -1 0 322.383 -0.400 20 0 DBADRM CC[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC001573804117 1026637250 /nfs/dbraw/zinc/63/72/50/1026637250.db2.gz MHIGQDFSQSQKTM-ZETCQYMHSA-N -1 0 301.324 -0.430 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C2(S(N)(=O)=O)CC2)C1 ZINC001573819109 1026638004 /nfs/dbraw/zinc/63/80/04/1026638004.db2.gz KPHSFBHKOHGBQY-NSHDSACASA-N -1 0 304.368 -0.089 20 0 DBADRM CC(C)(C)[C@H](NC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)[O-] ZINC001573807463 1026638728 /nfs/dbraw/zinc/63/87/28/1026638728.db2.gz IOPNWYURMWPPKX-LLVKDONJSA-N -1 0 310.354 -0.003 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N(CCOC)CC(=O)[O-])nn1 ZINC001573813287 1026639495 /nfs/dbraw/zinc/63/94/95/1026639495.db2.gz LBVRTUSYXIYJEN-VIFPVBQESA-N -1 0 300.315 -0.778 20 0 DBADRM CCc1ncc(C(=O)[O-])c(N2CCC(S(N)(=O)=O)CC2)n1 ZINC001573838310 1026640665 /nfs/dbraw/zinc/64/06/65/1026640665.db2.gz XGMCEFQVSCKDQB-UHFFFAOYSA-N -1 0 314.367 -0.006 20 0 DBADRM CCn1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)nn1 ZINC001573845237 1026640862 /nfs/dbraw/zinc/64/08/62/1026640862.db2.gz YTXCUOLSTRKDMH-QWRGUYRKSA-N -1 0 305.294 -0.390 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)CCNS(C)(=O)=O)n1 ZINC001573845039 1026640882 /nfs/dbraw/zinc/64/08/82/1026640882.db2.gz VAVYMGRVXLRIOV-UHFFFAOYSA-N -1 0 304.328 -0.521 20 0 DBADRM CCc1nnc(N2CCN(C(=O)[O-])CC2)n1CCn1cncn1 ZINC001573840278 1026641024 /nfs/dbraw/zinc/64/10/24/1026641024.db2.gz MLTXHNKFGXKHDU-UHFFFAOYSA-N -1 0 320.357 -0.068 20 0 DBADRM CC[C@H]1CN([C@H]2CS(=O)(=O)C[C@H]2OC)C[C@]1(F)C(=O)[O-] ZINC001573825829 1026641071 /nfs/dbraw/zinc/64/10/71/1026641071.db2.gz JFAACQPNHUBRPH-UXCLJVHYSA-N -1 0 309.359 -0.067 20 0 DBADRM CCc1nc(CNC(=O)Nc2cccn(CC(=O)[O-])c2=O)n[nH]1 ZINC001573833975 1026641242 /nfs/dbraw/zinc/64/12/42/1026641242.db2.gz PJZYGYWSXYPNCD-UHFFFAOYSA-N -1 0 320.309 -0.065 20 0 DBADRM CCc1nccn1CCNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001573840894 1026641525 /nfs/dbraw/zinc/64/15/25/1026641525.db2.gz UIYWJZDVAOATIX-SNVBAGLBSA-N -1 0 316.383 -0.171 20 0 DBADRM CCC/C=C/[C@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001573841549 1026641619 /nfs/dbraw/zinc/64/16/19/1026641619.db2.gz WJIUOQNDIFNNFU-AWAZDUCLSA-N -1 0 305.352 -0.586 20 0 DBADRM CCn1ccc(CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001573847439 1026641890 /nfs/dbraw/zinc/64/18/90/1026641890.db2.gz ORSVKHVKAFJGNW-GXSJLCMTSA-N -1 0 311.342 -0.327 20 0 DBADRM CN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC001573856949 1026642528 /nfs/dbraw/zinc/64/25/28/1026642528.db2.gz WLWWHXLGQNUCBZ-LPEHRKFASA-N -1 0 304.368 -0.411 20 0 DBADRM CN(C(=O)[C@@H](O)CC(=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC001573850474 1026642841 /nfs/dbraw/zinc/64/28/41/1026642841.db2.gz JZPMKRYHQSQRQQ-BQBZGAKWSA-N -1 0 312.244 -0.556 20 0 DBADRM CN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@@H](C(=O)[O-])c1cccnc1 ZINC001573851303 1026643249 /nfs/dbraw/zinc/64/32/49/1026643249.db2.gz UQIRPZNAWWFWCU-NXEZZACHSA-N -1 0 313.335 -0.643 20 0 DBADRM CN(C(C)(C)C(N)=O)S(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC001573858535 1026643293 /nfs/dbraw/zinc/64/32/93/1026643293.db2.gz DZBUUBSUKSAXDE-UHFFFAOYSA-N -1 0 307.372 -0.346 20 0 DBADRM CN(C(=O)[C@@H](O)CC(=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001573850485 1026643586 /nfs/dbraw/zinc/64/35/86/1026643586.db2.gz JZPMKRYHQSQRQQ-RQJHMYQMSA-N -1 0 312.244 -0.556 20 0 DBADRM CCCNC(=O)[C@H](C)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001573857768 1026643819 /nfs/dbraw/zinc/64/38/19/1026643819.db2.gz UTMBOAOEUMGDGH-VIFPVBQESA-N -1 0 309.322 -0.423 20 0 DBADRM CN(CC(=O)[O-])C(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC001573864394 1026644774 /nfs/dbraw/zinc/64/47/74/1026644774.db2.gz BDNVFDXODUPOPW-UHFFFAOYSA-N -1 0 318.376 -0.031 20 0 DBADRM CN([C@@]1(CO)CCOC1)S(=O)(=O)Cc1cc(C(=O)[O-])no1 ZINC001573864684 1026645441 /nfs/dbraw/zinc/64/54/41/1026645441.db2.gz AQGTYRVHPYCWIP-LLVKDONJSA-N -1 0 320.323 -0.714 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)NCc1cc(C(=O)[O-])no1 ZINC001573863626 1026645459 /nfs/dbraw/zinc/64/54/59/1026645459.db2.gz HPVGOBCEYRTLCX-UHFFFAOYSA-N -1 0 320.327 -0.937 20 0 DBADRM CN(CCC(=O)[O-])C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001573869834 1026647114 /nfs/dbraw/zinc/64/71/14/1026647114.db2.gz BLUSNTKYMALQCG-KGLIPLIRSA-N -1 0 321.333 -0.087 20 0 DBADRM CN(CCCC(=O)NC(C)(C)CNS(C)(=O)=O)C(=O)[O-] ZINC001573869895 1026647184 /nfs/dbraw/zinc/64/71/84/1026647184.db2.gz FTFGXZNGDLYFMJ-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM CN(CC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-])S(C)(=O)=O ZINC001573865180 1026647690 /nfs/dbraw/zinc/64/76/90/1026647690.db2.gz SHESTIGDJCMJLK-RKDXNWHRSA-N -1 0 308.356 -0.984 20 0 DBADRM CN1CC2(CN(C(=O)Nc3ncc(C(=O)[O-])n3C)C2)OC1=O ZINC001573882570 1026649666 /nfs/dbraw/zinc/64/96/66/1026649666.db2.gz DXCOOIAALZHTSF-UHFFFAOYSA-N -1 0 309.282 -0.213 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C(=O)[O-])C(C)C ZINC001573887870 1026652302 /nfs/dbraw/zinc/65/23/02/1026652302.db2.gz KRYNRZNWZXBADN-LPEHRKFASA-N -1 0 316.354 -0.084 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C(=O)[O-])C(C)C ZINC001573887869 1026652438 /nfs/dbraw/zinc/65/24/38/1026652438.db2.gz KRYNRZNWZXBADN-KXUCPTDWSA-N -1 0 316.354 -0.084 20 0 DBADRM CN1CCN(S(=O)(=O)NC2CCN(C(=O)[O-])CC2)CC1 ZINC001573885768 1026652719 /nfs/dbraw/zinc/65/27/19/1026652719.db2.gz VUEAATSYJQZNQW-UHFFFAOYSA-N -1 0 306.388 -0.789 20 0 DBADRM CCOC(=O)[C@](C)(O)CNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001573888515 1026652970 /nfs/dbraw/zinc/65/29/70/1026652970.db2.gz YJYPKPUQXNAVLF-IMSIIYSGSA-N -1 0 317.338 -0.313 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001573885703 1026653301 /nfs/dbraw/zinc/65/33/01/1026653301.db2.gz UDDDIXNXQUWJHC-UHFFFAOYSA-N -1 0 310.310 -0.733 20 0 DBADRM CNC(=O)CCCC(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001573890149 1026654380 /nfs/dbraw/zinc/65/43/80/1026654380.db2.gz IUVXFQLRJXDGPB-OAQYLSRUSA-N -1 0 318.395 -0.273 20 0 DBADRM CNC(=O)CCCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccncc1 ZINC001573890150 1026654494 /nfs/dbraw/zinc/65/44/94/1026654494.db2.gz IVIAYJBVNGGIKL-CHWSQXEVSA-N -1 0 309.322 -0.399 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)c1cc(C(=O)[O-])no1 ZINC001573889984 1026654676 /nfs/dbraw/zinc/65/46/76/1026654676.db2.gz GHAKMWGIRBYQOQ-SSDOTTSWSA-N -1 0 312.282 -0.857 20 0 DBADRM CNC(=O)COc1ccc(NC(=O)[C@H](O)CC(=O)[O-])c(C)c1 ZINC001573890660 1026655173 /nfs/dbraw/zinc/65/51/73/1026655173.db2.gz VMJAXWSQYKIJDH-LLVKDONJSA-N -1 0 310.306 -0.106 20 0 DBADRM COC(=O)[C@H](CCC1OCCO1)NC(=O)CCNC(=O)[O-] ZINC001573906964 1026656793 /nfs/dbraw/zinc/65/67/93/1026656793.db2.gz IIPWALPZUMUTNW-QMMMGPOBSA-N -1 0 304.299 -0.545 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001573894750 1026657106 /nfs/dbraw/zinc/65/71/06/1026657106.db2.gz LCTUQINKYPLSLD-RNCFNFMXSA-N -1 0 303.311 -0.750 20 0 DBADRM CNC(=O)c1cccc(C(=O)NCc2nc(C(=O)[O-])n[nH]2)n1 ZINC001573896189 1026657402 /nfs/dbraw/zinc/65/74/02/1026657402.db2.gz HUYJRSUIGIPNLV-UHFFFAOYSA-N -1 0 304.266 -0.813 20 0 DBADRM CC(C)(F)C(=O)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573906502 1026657461 /nfs/dbraw/zinc/65/74/61/1026657461.db2.gz ROPIIJVUFWINTK-QMMMGPOBSA-N -1 0 320.332 -0.161 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)N1CCCN(C(=O)[O-])CC1 ZINC001573896616 1026657495 /nfs/dbraw/zinc/65/74/95/1026657495.db2.gz OWDCDLHLHGBIFG-UHFFFAOYSA-N -1 0 311.302 -0.618 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001573903072 1026658500 /nfs/dbraw/zinc/65/85/00/1026658500.db2.gz MFVPMJNVXVPOLW-UHFFFAOYSA-N -1 0 317.323 -0.473 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573907879 1026659069 /nfs/dbraw/zinc/65/90/69/1026659069.db2.gz SCETZNHTLFEXHL-IVZWLZJFSA-N -1 0 315.322 -0.092 20 0 DBADRM COC(=O)[C@@H](Cc1cncs1)NCC(=O)N(C)CC(=O)[O-] ZINC001573908254 1026659269 /nfs/dbraw/zinc/65/92/69/1026659269.db2.gz VXQQYMVPHKMMPS-SECBINFHSA-N -1 0 315.351 -0.640 20 0 DBADRM COC(=O)[C@@H](CCC1OCCO1)NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001573908233 1026659484 /nfs/dbraw/zinc/65/94/84/1026659484.db2.gz VJPQHAGFRNEDCI-IWSPIJDZSA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573914984 1026661133 /nfs/dbraw/zinc/66/11/33/1026661133.db2.gz RDBAFUCRYAWMSO-AEJSXWLSSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H]1C ZINC001573914905 1026661623 /nfs/dbraw/zinc/66/16/23/1026661623.db2.gz QPKBLEQPGOYJJP-BQBZGAKWSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)C[C@H]1CS(=O)(=O)CCN1C[C@@H]1C[C@H]1C(=O)[O-] ZINC001573913933 1026661747 /nfs/dbraw/zinc/66/17/47/1026661747.db2.gz BVBXIWLLHACOCV-LPEHRKFASA-N -1 0 305.352 -0.631 20 0 DBADRM COC(=O)C1=NO[C@@]2(CCN(S(=O)(=O)CCC(=O)[O-])C2)C1 ZINC001573916039 1026663048 /nfs/dbraw/zinc/66/30/48/1026663048.db2.gz MPVWZVDAGJYOPW-NSHDSACASA-N -1 0 320.323 -0.815 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)c2cnc(C(=O)[O-])s2)C1 ZINC001573915378 1026663173 /nfs/dbraw/zinc/66/31/73/1026663173.db2.gz GQVXADZHVRPNLA-NSHDSACASA-N -1 0 300.292 -0.409 20 0 DBADRM COC(=O)[C@@]1(CNC(=O)[C@H](NC(=O)[O-])C(C)C)CCOC1 ZINC001573915759 1026663631 /nfs/dbraw/zinc/66/36/31/1026663631.db2.gz JQMUBBWWPWHVJY-NOZJJQNGSA-N -1 0 302.327 -0.026 20 0 DBADRM COC(=O)[C@H]1[C@@H](O)CCCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001573915855 1026663874 /nfs/dbraw/zinc/66/38/74/1026663874.db2.gz KVBJAYAWLJUHII-DTWKUNHWSA-N -1 0 321.351 -0.678 20 0 DBADRM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H](O)CC(=O)[O-] ZINC001573921821 1026664762 /nfs/dbraw/zinc/66/47/62/1026664762.db2.gz PQOIPKHVXBLWQU-UWVGGRQHSA-N -1 0 303.311 -0.607 20 0 DBADRM COC(=O)N(C)CC(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001573922210 1026665046 /nfs/dbraw/zinc/66/50/46/1026665046.db2.gz GWQLODSCYJNTOK-WDEREUQCSA-N -1 0 311.294 -0.617 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)NCC2(C(=O)[O-])CC2)cn1 ZINC001573922572 1026665233 /nfs/dbraw/zinc/66/52/33/1026665233.db2.gz YBJNHESGFYYZKF-UHFFFAOYSA-N -1 0 317.323 -0.801 20 0 DBADRM COC(=O)[C@@H](O)CCNC(=O)c1ncsc1NC(=O)[O-] ZINC001573927479 1026667094 /nfs/dbraw/zinc/66/70/94/1026667094.db2.gz BDOOJPNNKYJFGH-YFKPBYRVSA-N -1 0 303.296 -0.113 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCSC[C@H]2C(=O)[O-])O1 ZINC001573930994 1026667653 /nfs/dbraw/zinc/66/76/53/1026667653.db2.gz QUEYNDNGSDLOBV-YIZRAAEISA-N -1 0 303.336 -0.264 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)C[C@@H](C)O1 ZINC001573934740 1026667797 /nfs/dbraw/zinc/66/77/97/1026667797.db2.gz AOROCCNKSZVTIY-BBBLOLIVSA-N -1 0 315.326 -0.289 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001573929354 1026667839 /nfs/dbraw/zinc/66/78/39/1026667839.db2.gz YNVBCGYGWWQFEH-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]([C@@H](F)C(=O)[O-])C2)O1 ZINC001573930379 1026668042 /nfs/dbraw/zinc/66/80/42/1026668042.db2.gz JMKBYJSAONAKCD-QCLAVDOMSA-N -1 0 303.286 -0.022 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001573935321 1026669370 /nfs/dbraw/zinc/66/93/70/1026669370.db2.gz QTIWBWINEMOPLP-VXNVDRBHSA-N -1 0 316.335 -0.189 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCC2(C(=O)[O-])CC2)n(C)c1 ZINC001573940540 1026669592 /nfs/dbraw/zinc/66/95/92/1026669592.db2.gz FKPJLDCRIFTDFW-UHFFFAOYSA-N -1 0 316.335 -0.045 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-] ZINC001573935229 1026669902 /nfs/dbraw/zinc/66/99/02/1026669902.db2.gz MCFUWYLZCCEAFC-NTSWFWBYSA-N -1 0 319.339 -0.108 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1CC([C@H](C)C(=O)[O-])C1 ZINC001573935542 1026670409 /nfs/dbraw/zinc/67/04/09/1026670409.db2.gz VWVGHIZVJDUDAQ-IQJOONFLSA-N -1 0 314.338 -0.073 20 0 DBADRM COC(=O)c1cn(C)nc1NC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001573943515 1026671933 /nfs/dbraw/zinc/67/19/33/1026671933.db2.gz XSBQHHKCHICLRZ-NSHDSACASA-N -1 0 300.271 -0.836 20 0 DBADRM COC(=O)c1cccn(CC(=O)Nc2nc(C(=O)[O-])c[nH]2)c1=O ZINC001573942921 1026671970 /nfs/dbraw/zinc/67/19/70/1026671970.db2.gz UQAAVQYNASZJOA-UHFFFAOYSA-N -1 0 320.261 -0.305 20 0 DBADRM COC1(C(=O)Nc2ccn(C)c2C(=O)[O-])CS(=O)(=O)C1 ZINC001573947965 1026672184 /nfs/dbraw/zinc/67/21/84/1026672184.db2.gz FQQOKKGDXHIBIC-UHFFFAOYSA-N -1 0 302.308 -0.525 20 0 DBADRM CO[C@@]1(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001573949556 1026673353 /nfs/dbraw/zinc/67/33/53/1026673353.db2.gz SPOZLAMJNIRUTG-KCJUWKMLSA-N -1 0 306.340 -0.941 20 0 DBADRM CO[C@]1(C(=O)Nc2onc(C(=O)[O-])c2C)CCS(=O)(=O)C1 ZINC001573955427 1026673417 /nfs/dbraw/zinc/67/34/17/1026673417.db2.gz YPFLQPDRYCVNCG-LLVKDONJSA-N -1 0 318.307 -0.177 20 0 DBADRM COC1(C(=O)Nc2onc(C(=O)[O-])c2C)CS(=O)(=O)C1 ZINC001573953545 1026674033 /nfs/dbraw/zinc/67/40/33/1026674033.db2.gz JAUZZDCOQNWBDY-UHFFFAOYSA-N -1 0 304.280 -0.567 20 0 DBADRM COC1(C(=O)Nc2[nH]c(C)nc2C(=O)[O-])CS(=O)(=O)C1 ZINC001573948022 1026674063 /nfs/dbraw/zinc/67/40/63/1026674063.db2.gz GQRXUIAABZGDKU-UHFFFAOYSA-N -1 0 303.296 -0.832 20 0 DBADRM COC1(C(=O)NC2CCN(C(=O)[O-])CC2)CS(=O)(=O)C1 ZINC001573949527 1026674146 /nfs/dbraw/zinc/67/41/46/1026674146.db2.gz SDDSYCGUAYFKJL-UHFFFAOYSA-N -1 0 306.340 -0.941 20 0 DBADRM CCc1c[nH]c(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001573952927 1026674189 /nfs/dbraw/zinc/67/41/89/1026674189.db2.gz OLJWFLIFSFUMDW-SNVBAGLBSA-N -1 0 308.338 -0.089 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@H](CC(=O)[O-])C(F)(F)F ZINC001573984935 1026684077 /nfs/dbraw/zinc/68/40/77/1026684077.db2.gz COGVZFLNQPXQON-ZCFIWIBFSA-N -1 0 321.273 -0.431 20 0 DBADRM COCC(=O)Nc1cccc(CNC(=O)[C@@H](O)CC(=O)[O-])c1 ZINC001573965774 1026675900 /nfs/dbraw/zinc/67/59/00/1026675900.db2.gz AQWFXJVJTPRMHY-NSHDSACASA-N -1 0 310.306 -0.277 20 0 DBADRM CO[C@@H]1COCC[C@H]1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573966537 1026677135 /nfs/dbraw/zinc/67/71/35/1026677135.db2.gz JRWBXOLHCYZPEL-IONNQARKSA-N -1 0 319.339 -0.562 20 0 DBADRM COCC(=O)N[C@H](C(=O)NCc1[nH]cnc1C(=O)[O-])C(C)C ZINC001573966571 1026677450 /nfs/dbraw/zinc/67/74/50/1026677450.db2.gz KIENPBOOLWHWCQ-JTQLQIEISA-N -1 0 312.326 -0.489 20 0 DBADRM COCC(=O)NCCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001573967364 1026678663 /nfs/dbraw/zinc/67/86/63/1026678663.db2.gz UKMKGOLNKMTUKQ-NSHDSACASA-N -1 0 309.322 -0.654 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(C(=O)NC[C@@H]2CNC(=O)C2)C1 ZINC001573969266 1026679256 /nfs/dbraw/zinc/67/92/56/1026679256.db2.gz UCQMUBFIKBBRQF-HZMBPMFUSA-N -1 0 313.354 -0.355 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(C(=O)NC[C@H]2CNC(=O)C2)C1 ZINC001573969275 1026679330 /nfs/dbraw/zinc/67/93/30/1026679330.db2.gz UCQMUBFIKBBRQF-QMTHXVAHSA-N -1 0 313.354 -0.355 20 0 DBADRM CCn1cc(CNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001573971383 1026681660 /nfs/dbraw/zinc/68/16/60/1026681660.db2.gz RYGPOFVPJWOXHW-CQSZACIVSA-N -1 0 324.337 -0.025 20 0 DBADRM COC[C@]1(CO)CCN(C(=O)NCc2cc(C(=O)[O-])no2)C1 ZINC001573975345 1026681925 /nfs/dbraw/zinc/68/19/25/1026681925.db2.gz PXWPCMKUFLRSIF-CYBMUJFWSA-N -1 0 313.310 -0.087 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ns[nH]c2=O)C1 ZINC001573973731 1026682002 /nfs/dbraw/zinc/68/20/02/1026682002.db2.gz FDIYSJKADWWNLX-LLVKDONJSA-N -1 0 301.324 -0.215 20 0 DBADRM CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC001573979408 1026683623 /nfs/dbraw/zinc/68/36/23/1026683623.db2.gz DQKUDTMTSSAHLF-AEJSXWLSSA-N -1 0 311.338 -0.968 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F ZINC001573984952 1026684337 /nfs/dbraw/zinc/68/43/37/1026684337.db2.gz DHXHTIVPCZTNAQ-QMMMGPOBSA-N -1 0 321.273 -0.431 20 0 DBADRM COCCn1cc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)cn1 ZINC001573986547 1026685724 /nfs/dbraw/zinc/68/57/24/1026685724.db2.gz XHKVQRWXOGMQTM-GHMZBOCLSA-N -1 0 312.326 -0.770 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)OC)O1)C(=O)[O-] ZINC001573990936 1026685828 /nfs/dbraw/zinc/68/58/28/1026685828.db2.gz NRQYBDRRYLPPHO-LPEHRKFASA-N -1 0 303.311 -0.297 20 0 DBADRM COC[C@H](NC(=O)c1cnc2c(c1)NC(=O)CS2)C(=O)[O-] ZINC001573990740 1026686171 /nfs/dbraw/zinc/68/61/71/1026686171.db2.gz LHAPZWKTBWEYPM-QMMMGPOBSA-N -1 0 311.319 -0.045 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccn1)C(=O)[O-] ZINC001573991600 1026686313 /nfs/dbraw/zinc/68/63/13/1026686313.db2.gz ZWGSJOJQOIKHER-QMMMGPOBSA-N -1 0 318.307 -0.754 20 0 DBADRM COCn1nccc1S(=O)(=O)NC1(CC(=O)[O-])COC1 ZINC001573992128 1026688523 /nfs/dbraw/zinc/68/85/23/1026688523.db2.gz BQRSGRHNNZHIIB-UHFFFAOYSA-N -1 0 305.312 -0.991 20 0 DBADRM CO[C@@H]1CN(CC(=O)Nc2nc(CC(=O)[O-])cs2)C[C@H]1O ZINC001573992647 1026688580 /nfs/dbraw/zinc/68/85/80/1026688580.db2.gz XORCUYISTMCFHI-RKDXNWHRSA-N -1 0 315.351 -0.600 20 0 DBADRM CN(C)c1nccc(CNC(=O)c2cc(C(=O)[O-])nn2C)n1 ZINC001573997772 1026688725 /nfs/dbraw/zinc/68/87/25/1026688725.db2.gz ZQNVGSFSSZSZPR-UHFFFAOYSA-N -1 0 304.310 -0.096 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573992367 1026688791 /nfs/dbraw/zinc/68/87/91/1026688791.db2.gz OLPKKHFWRABDDQ-LMLFDSFASA-N -1 0 317.342 -0.940 20 0 DBADRM CN1CC[C@H](C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)CC1=O ZINC001574021814 1026690305 /nfs/dbraw/zinc/69/03/05/1026690305.db2.gz FGVCOGBTNFODCH-QMMMGPOBSA-N -1 0 322.321 -0.082 20 0 DBADRM COc1ccc(-n2cc(C(=O)N[C@H](CO)CC(=O)[O-])nn2)cc1 ZINC001574023403 1026690628 /nfs/dbraw/zinc/69/06/28/1026690628.db2.gz HIFSWFNZJWYCLJ-VIFPVBQESA-N -1 0 320.305 -0.159 20 0 DBADRM COc1cc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)sn1 ZINC001574012476 1026690651 /nfs/dbraw/zinc/69/06/51/1026690651.db2.gz MKVVVOQUOYCFNM-NKWVEPMBSA-N -1 0 301.324 -0.148 20 0 DBADRM COc1cc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccncc2)ncn1 ZINC001574012817 1026690997 /nfs/dbraw/zinc/69/09/97/1026690997.db2.gz WLGYFYJRIXJZPO-NWDGAFQWSA-N -1 0 318.289 -0.203 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)OC(C)(C)C ZINC001574013279 1026691095 /nfs/dbraw/zinc/69/10/95/1026691095.db2.gz XPHKTJHVSOETHZ-SFYZADRCSA-N -1 0 302.327 -0.201 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC001574037058 1026692588 /nfs/dbraw/zinc/69/25/88/1026692588.db2.gz CTSQLDUPNLHQEY-GMTAPVOTSA-N -1 0 318.395 -0.115 20 0 DBADRM COc1ccc(CC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)nc1 ZINC001574031178 1026693251 /nfs/dbraw/zinc/69/32/51/1026693251.db2.gz TUQCTQFGMWGRKW-BXKDBHETSA-N -1 0 309.322 -0.280 20 0 DBADRM COc1ncncc1NC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001574054602 1026694307 /nfs/dbraw/zinc/69/43/07/1026694307.db2.gz NDHOUTIUTQLRIE-CBAPKCEASA-N -1 0 311.298 -0.423 20 0 DBADRM COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001574047045 1026694314 /nfs/dbraw/zinc/69/43/14/1026694314.db2.gz NXMJEWQIGQEJGM-XICLSFFLSA-N -1 0 314.294 -0.605 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H]1CCNC1=O)C[C@H]2C(=O)[O-] ZINC001574048205 1026694322 /nfs/dbraw/zinc/69/43/22/1026694322.db2.gz YGPRBGMHFDLXOZ-HJGICBPCSA-N -1 0 324.333 -0.765 20 0 DBADRM COc1ncncc1NC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001574054599 1026694695 /nfs/dbraw/zinc/69/46/95/1026694695.db2.gz NDHOUTIUTQLRIE-APPZFPTMSA-N -1 0 311.298 -0.423 20 0 DBADRM COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H](OC)C(=O)[O-])CCO2 ZINC001574047382 1026694815 /nfs/dbraw/zinc/69/48/15/1026694815.db2.gz LBZJXVZJCJMRTE-HDCINBLHSA-N -1 0 315.322 -0.297 20 0 DBADRM COc1nccc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccncc2)n1 ZINC001574054065 1026695174 /nfs/dbraw/zinc/69/51/74/1026695174.db2.gz KHDWLHBKVFCSPA-WDEREUQCSA-N -1 0 318.289 -0.203 20 0 DBADRM COc1cnc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)c(F)c1 ZINC001574052268 1026695196 /nfs/dbraw/zinc/69/51/96/1026695196.db2.gz KDDGEQULODHDGB-GMSGAONNSA-N -1 0 313.285 -0.070 20 0 DBADRM COC(=O)[C@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C1CC1 ZINC001574046844 1026695215 /nfs/dbraw/zinc/69/52/15/1026695215.db2.gz NVCZOIAVECCMKN-LLVKDONJSA-N -1 0 308.290 -0.386 20 0 DBADRM CS(=O)(=O)C1(C(=O)Nc2nc(C(=O)[O-])c[nH]2)CCOCC1 ZINC001574056672 1026695922 /nfs/dbraw/zinc/69/59/22/1026695922.db2.gz DAQJPVZBBQMPNK-UHFFFAOYSA-N -1 0 317.323 -0.360 20 0 DBADRM COc1nscc1S(=O)(=O)NC1(CC(=O)[O-])COC1 ZINC001574057188 1026696657 /nfs/dbraw/zinc/69/66/57/1026696657.db2.gz ISKPYFKVRLGIQS-UHFFFAOYSA-N -1 0 308.337 -0.326 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001574055728 1026696669 /nfs/dbraw/zinc/69/66/69/1026696669.db2.gz QGPBRELPCFYHNM-SKDRFNHKSA-N -1 0 303.311 -0.486 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)NCc2cc(C(=O)[O-])no2)CC1 ZINC001574056641 1026696959 /nfs/dbraw/zinc/69/69/59/1026696959.db2.gz CQJMTPCYMDNILF-UHFFFAOYSA-N -1 0 317.323 -0.251 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C1=C[S@@](=O)CCC1 ZINC001574055908 1026697040 /nfs/dbraw/zinc/69/70/40/1026697040.db2.gz RQMIHMHWJZJSDT-FQEVSTJZSA-N -1 0 303.336 -0.111 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001574055726 1026697305 /nfs/dbraw/zinc/69/73/05/1026697305.db2.gz QGPBRELPCFYHNM-CABZTGNLSA-N -1 0 303.311 -0.486 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)CN2CCOCC2)CC1 ZINC001574059286 1026698165 /nfs/dbraw/zinc/69/81/65/1026698165.db2.gz HCOHLHKJPRMOIM-NRFANRHFSA-N -1 0 318.395 -0.857 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)CC2(C(=O)[O-])CCOCC2)C1 ZINC001574059470 1026698224 /nfs/dbraw/zinc/69/82/24/1026698224.db2.gz LFYXEVCTAAEBFM-UHFFFAOYSA-N -1 0 320.367 -0.982 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccncc1 ZINC001574057759 1026698238 /nfs/dbraw/zinc/69/82/38/1026698238.db2.gz YGKBGEHSRYSBBW-WDEREUQCSA-N -1 0 316.335 -0.881 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001574057567 1026698384 /nfs/dbraw/zinc/69/83/84/1026698384.db2.gz QKMZORIXVBYDCC-SNVBAGLBSA-N -1 0 316.335 -0.088 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CCO1 ZINC001574057635 1026698489 /nfs/dbraw/zinc/69/84/89/1026698489.db2.gz SZJWIHMUGDCXPR-KXUCPTDWSA-N -1 0 305.352 -0.631 20 0 DBADRM CS(=O)(=O)c1ccccc1CCNC(=O)[C@H](O)CC(=O)[O-] ZINC001574060095 1026699829 /nfs/dbraw/zinc/69/98/29/1026699829.db2.gz WUWVKFGFLGBUDD-SNVBAGLBSA-N -1 0 315.347 -0.416 20 0 DBADRM CS(=O)(=O)c1ncnn1CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001574059725 1026700028 /nfs/dbraw/zinc/70/00/28/1026700028.db2.gz QGEWNNGKSHMIRZ-QMMMGPOBSA-N -1 0 316.339 -0.995 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001574074871 1026700041 /nfs/dbraw/zinc/70/00/41/1026700041.db2.gz CTQBDNIBLLUXGL-QMMMGPOBSA-N -1 0 306.290 -0.322 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CS(=O)(=O)CC(C)C)C(=O)[O-] ZINC001574062922 1026700606 /nfs/dbraw/zinc/70/06/06/1026700606.db2.gz HNGPHINVVRRBKE-VIFPVBQESA-N -1 0 323.367 -0.420 20 0 DBADRM COC(=O)COCCNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001574066523 1026701138 /nfs/dbraw/zinc/70/11/38/1026701138.db2.gz SRQHUFPFNJFMLK-VHSXEESVSA-N -1 0 303.311 -0.438 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001574097084 1026702051 /nfs/dbraw/zinc/70/20/51/1026702051.db2.gz HNNBIELXQJVIIA-OAQYLSRUSA-N -1 0 313.335 -0.380 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001574097089 1026702232 /nfs/dbraw/zinc/70/22/32/1026702232.db2.gz HQROOTLNUUWJGT-GLXKHTEVSA-N -1 0 302.396 -0.380 20 0 DBADRM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)C2 ZINC001574077341 1026702404 /nfs/dbraw/zinc/70/24/04/1026702404.db2.gz QACNXMLJOJJAMQ-UJVNDKKSSA-N -1 0 308.294 -0.566 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001574096718 1026702996 /nfs/dbraw/zinc/70/29/96/1026702996.db2.gz CIQMMLZKRXGHKC-OCAPTIKFSA-N -1 0 312.278 -0.043 20 0 DBADRM CSC[C@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC001574096290 1026702670 /nfs/dbraw/zinc/70/26/70/1026702670.db2.gz FHQAMANRKHIHIX-QMMMGPOBSA-N -1 0 311.319 -0.042 20 0 DBADRM CSC[C@@H](NC(=O)c1cc2c(=O)[nH]c(C)cn2n1)C(=O)[O-] ZINC001574096236 1026702830 /nfs/dbraw/zinc/70/28/30/1026702830.db2.gz CHOSAPRMTWILDY-MRVPVSSYSA-N -1 0 310.335 -0.123 20 0 DBADRM CSC[C@H](NC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O)C(=O)[O-] ZINC001574096201 1026703455 /nfs/dbraw/zinc/70/34/55/1026703455.db2.gz BFOBLVJEVKLLKB-BWVDBABLSA-N -1 0 304.368 -0.806 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)Cn2nccc2N)CC1 ZINC001574096811 1026703814 /nfs/dbraw/zinc/70/38/14/1026703814.db2.gz FJYQELOFLNFXNS-OAQYLSRUSA-N -1 0 314.367 -0.710 20 0 DBADRM C[C@]1(CO)CN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)C[C@@]1(C)CO ZINC001574104402 1026704538 /nfs/dbraw/zinc/70/45/38/1026704538.db2.gz NWCFNOPOGXOBSZ-LEWSCRJBSA-N -1 0 315.370 -0.239 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC001574100109 1026704551 /nfs/dbraw/zinc/70/45/51/1026704551.db2.gz BUMZXJYWLGTBKA-JEZHCXPESA-N -1 0 310.310 -0.870 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)CC(=O)[O-] ZINC001574098439 1026705360 /nfs/dbraw/zinc/70/53/60/1026705360.db2.gz APIJDQWDPJJJFI-MRTMQBJTSA-N -1 0 320.342 -0.788 20 0 DBADRM C[C@@H]1CC[C@H](O)CN1S(=O)(=O)N1CCN(C(=O)[O-])CC1 ZINC001574105147 1026705958 /nfs/dbraw/zinc/70/59/58/1026705958.db2.gz OXRVZBNRUKZNQB-ZJUUUORDSA-N -1 0 307.372 -0.628 20 0 DBADRM Cc1[nH]c(C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)c(C)c1C(=O)[O-] ZINC001574111196 1026706484 /nfs/dbraw/zinc/70/64/84/1026706484.db2.gz DAYIBFWDEIXJGC-SECBINFHSA-N -1 0 321.333 -0.347 20 0 DBADRM C[C@]12CN(S(=O)(=O)CCC(=O)[O-])C[C@H]1CS(=O)(=O)C2 ZINC001574111085 1026706847 /nfs/dbraw/zinc/70/68/47/1026706847.db2.gz CDLYNNZFSOJSMV-WCBMZHEXSA-N -1 0 311.381 -0.843 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC(O)(c2cnnn2C)C1 ZINC001574111302 1026707015 /nfs/dbraw/zinc/70/70/15/1026707015.db2.gz RSBQOURGSJXWJE-UHFFFAOYSA-N -1 0 319.321 -0.198 20 0 DBADRM Cc1c(C(=O)N[C@H]2CCN(C(=O)[O-])C2)nnn1-c1cnn(C)c1 ZINC001574113446 1026707330 /nfs/dbraw/zinc/70/73/30/1026707330.db2.gz PEISLLOFWXKWKI-VIFPVBQESA-N -1 0 319.325 -0.209 20 0 DBADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)NC[C@@H](O)CO)cc1 ZINC001574114410 1026709410 /nfs/dbraw/zinc/70/94/10/1026709410.db2.gz VBJBEWIDRUEWDI-GFCCVEGCSA-N -1 0 319.317 -0.038 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCN(C(=O)[O-])CC1 ZINC001574114397 1026710301 /nfs/dbraw/zinc/71/03/01/1026710301.db2.gz XNGGHFRWTUPZMC-UHFFFAOYSA-N -1 0 310.310 -0.049 20 0 DBADRM Cc1cc(C)n(CC(=O)NCc2cc(C(=O)[O-])no2)c(=O)n1 ZINC001574129447 1026710764 /nfs/dbraw/zinc/71/07/64/1026710764.db2.gz POPIXXXYLRSMOL-UHFFFAOYSA-N -1 0 306.278 -0.137 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)N1C[C@@H](C(=O)[O-])C2(COC2)C1 ZINC001574127987 1026712011 /nfs/dbraw/zinc/71/20/11/1026712011.db2.gz QLVMQIBJPGDNIN-VIFPVBQESA-N -1 0 321.333 -0.476 20 0 DBADRM Cc1cc(C)c(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c(=O)o1 ZINC001574129451 1026712025 /nfs/dbraw/zinc/71/20/25/1026712025.db2.gz PQRICZHONIVKNQ-IUCAKERBSA-N -1 0 310.306 -0.036 20 0 DBADRM Cc1cc(CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)ncn1 ZINC001574135390 1026712095 /nfs/dbraw/zinc/71/20/95/1026712095.db2.gz SVNLUXDKQBDGFK-GXSJLCMTSA-N -1 0 309.326 -0.445 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCc2cnccn2)CCO1 ZINC001574141755 1026713002 /nfs/dbraw/zinc/71/30/02/1026713002.db2.gz PCSLDXIYFPXUDD-ZDUSSCGKSA-N -1 0 310.310 -0.512 20 0 DBADRM Cc1cc(NC(=O)C2CN(S(C)(=O)=O)C2)n(CC(=O)[O-])n1 ZINC001574140854 1026713360 /nfs/dbraw/zinc/71/33/60/1026713360.db2.gz CUHRAZDAHIPAEJ-UHFFFAOYSA-N -1 0 316.339 -0.894 20 0 DBADRM Cc1cc(CS(=O)(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)no1 ZINC001574137697 1026713689 /nfs/dbraw/zinc/71/36/89/1026713689.db2.gz XRZXYLNIEVPQBK-SCZZXKLOSA-N -1 0 319.339 -0.627 20 0 DBADRM COCCN(CCOC)C1CN(C(=O)[C@@](C)(OC)C(=O)[O-])C1 ZINC001574163222 1026716770 /nfs/dbraw/zinc/71/67/70/1026716770.db2.gz ISWIZVGFXKLENK-CQSZACIVSA-N -1 0 318.370 -0.718 20 0 DBADRM Cc1cn2nc(C(=O)N[C@@H]3CCN(C(=O)[O-])C3)cc2c(=O)[nH]1 ZINC001574173544 1026717680 /nfs/dbraw/zinc/71/76/80/1026717680.db2.gz VDTHCSZFHUKOMO-MRVPVSSYSA-N -1 0 305.294 -0.187 20 0 DBADRM Cc1cncc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC001574179835 1026718299 /nfs/dbraw/zinc/71/82/99/1026718299.db2.gz KDNCTJWPLXRMSZ-DTWKUNHWSA-N -1 0 315.351 -0.354 20 0 DBADRM Cc1n[nH]c(=O)c(C(=O)N2C[C@H](C(=O)[O-])C3(COC3)C2)c1C ZINC001574178466 1026718750 /nfs/dbraw/zinc/71/87/50/1026718750.db2.gz IDHKUNUIEFNQEQ-SECBINFHSA-N -1 0 307.306 -0.028 20 0 DBADRM Cc1nc([C@H](C)NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)no1 ZINC001574186957 1026719393 /nfs/dbraw/zinc/71/93/93/1026719393.db2.gz DDISETFGNQSIPH-NBEYISGCSA-N -1 0 313.314 -0.291 20 0 DBADRM Cc1cncn1CC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001574180896 1026719520 /nfs/dbraw/zinc/71/95/20/1026719520.db2.gz XLDWTYXXBRZQMB-OLZOCXBDSA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1nc(C(=O)[O-])c(NC(=O)c2cn(CC(=O)N(C)C)nn2)[nH]1 ZINC001574180820 1026719790 /nfs/dbraw/zinc/71/97/90/1026719790.db2.gz OSKUPQUFNMBMBG-UHFFFAOYSA-N -1 0 321.297 -0.652 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCc2cn(C)nn2)c1C(=O)[O-] ZINC001574182392 1026719859 /nfs/dbraw/zinc/71/98/59/1026719859.db2.gz NAQPSJVXVVALGZ-UHFFFAOYSA-N -1 0 300.300 -0.977 20 0 DBADRM Cc1conc1CS(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001574180933 1026720098 /nfs/dbraw/zinc/72/00/98/1026720098.db2.gz XPUKKUGLGHFPJW-JGVFFNPUSA-N -1 0 319.339 -0.620 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)C)c1C(=O)[O-] ZINC001574182965 1026719903 /nfs/dbraw/zinc/71/99/03/1026719903.db2.gz UPFAIXULLJUFQD-ZETCQYMHSA-N -1 0 318.355 -0.392 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@@](C)(O)C2CC2)c1C(=O)[O-] ZINC001574182986 1026719928 /nfs/dbraw/zinc/71/99/28/1026719928.db2.gz VIBRGFYHESGJBV-LLVKDONJSA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@H](O)C(F)(F)F)c1C(=O)[O-] ZINC001574182201 1026719971 /nfs/dbraw/zinc/71/99/71/1026719971.db2.gz JQIUWPREDNRHAI-BYPYZUCNSA-N -1 0 317.245 -0.382 20 0 DBADRM Cc1nc(CCC(=O)[O-])cc(NC[C@@H](C)S(N)(=O)=O)n1 ZINC001574188032 1026720054 /nfs/dbraw/zinc/72/00/54/1026720054.db2.gz OPYQPNKTXQBYLC-SSDOTTSWSA-N -1 0 302.356 -0.109 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H](C)C(=O)N(C)C)c1C(=O)[O-] ZINC001574182121 1026720192 /nfs/dbraw/zinc/72/01/92/1026720192.db2.gz IWEQJVGHLDQSAN-ZCFIWIBFSA-N -1 0 304.328 -0.829 20 0 DBADRM Cc1nc(SCCC(=O)NC2(CC(=O)[O-])COC2)n[nH]1 ZINC001574196970 1026721562 /nfs/dbraw/zinc/72/15/62/1026721562.db2.gz DSSVZDPAEZKXQN-UHFFFAOYSA-N -1 0 300.340 -0.045 20 0 DBADRM Cc1nnc2ccc(C(=O)N[C@H]3CN(C(=O)[O-])C[C@H]3CO)cn12 ZINC001574197430 1026722008 /nfs/dbraw/zinc/72/20/08/1026722008.db2.gz JBBGLUYZTXYDAO-QWRGUYRKSA-N -1 0 319.321 -0.262 20 0 DBADRM Cc1nnsc1CNC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001574197021 1026722075 /nfs/dbraw/zinc/72/20/75/1026722075.db2.gz GDTFXWPCAVLNPL-JGVFFNPUSA-N -1 0 315.355 -0.384 20 0 DBADRM Cc1nc(CCC(=O)[O-])cc(NC[C@@H]2CC(C(N)=O)=NO2)n1 ZINC001574188796 1026723233 /nfs/dbraw/zinc/72/32/33/1026723233.db2.gz XUDBBYFUQACNMM-VIFPVBQESA-N -1 0 307.310 -0.156 20 0 DBADRM Cc1nnc(N2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)n1C ZINC001574200813 1026723793 /nfs/dbraw/zinc/72/37/93/1026723793.db2.gz QJFRQXOABHYYLK-WDEREUQCSA-N -1 0 307.354 -0.117 20 0 DBADRM Cc1nonc1CC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001574206530 1026723870 /nfs/dbraw/zinc/72/38/70/1026723870.db2.gz TVGQOQKQLPETIB-RYUDHWBXSA-N -1 0 306.278 -0.381 20 0 DBADRM Cc1nnc(N2CCC[C@H](NC(=O)[O-])C2)n1Cc1nncn1C ZINC001574200440 1026724091 /nfs/dbraw/zinc/72/40/91/1026724091.db2.gz LPOZMPWCCFHYOC-JTQLQIEISA-N -1 0 320.357 0.000 20 0 DBADRM Cc1nn(CCS(=O)(=O)NC[C@@H](C)CC(=O)[O-])c(=O)o1 ZINC001574199532 1026725370 /nfs/dbraw/zinc/72/53/70/1026725370.db2.gz CEWNDYDWOYOLFB-ZETCQYMHSA-N -1 0 307.328 -0.825 20 0 DBADRM Cn1c(=O)[nH]cc1C(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001574208345 1026726033 /nfs/dbraw/zinc/72/60/33/1026726033.db2.gz BONFOSVQJTUTRR-VHSXEESVSA-N -1 0 306.278 -0.563 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC001574208933 1026726698 /nfs/dbraw/zinc/72/66/98/1026726698.db2.gz KISBTFILRQIUDM-ZETCQYMHSA-N -1 0 316.339 -0.183 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001574208928 1026726438 /nfs/dbraw/zinc/72/64/38/1026726438.db2.gz KFFDCDQCILOGGZ-XPUUQOCRSA-N -1 0 311.298 -0.727 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC001574209553 1026726490 /nfs/dbraw/zinc/72/64/90/1026726490.db2.gz QHINGEMVZVKMTL-ZETCQYMHSA-N -1 0 316.339 -0.231 20 0 DBADRM Cn1c(=O)[nH]cc1C(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001574208344 1026726583 /nfs/dbraw/zinc/72/65/83/1026726583.db2.gz BONFOSVQJTUTRR-UWVGGRQHSA-N -1 0 306.278 -0.563 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC001574208403 1026726995 /nfs/dbraw/zinc/72/69/95/1026726995.db2.gz DVGDDHFCSOEBFY-LURJTMIESA-N -1 0 317.327 -0.987 20 0 DBADRM Cn1cc([C@H](O)C(=O)NCCc2nc(C(=O)[O-])cs2)cn1 ZINC001574212123 1026727916 /nfs/dbraw/zinc/72/79/16/1026727916.db2.gz JORDNULYNQEQJB-JTQLQIEISA-N -1 0 310.335 -0.033 20 0 DBADRM Cn1cc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)ccc1=O ZINC001574220007 1026728021 /nfs/dbraw/zinc/72/80/21/1026728021.db2.gz IWVHBTHNWYUTGO-WPRPVWTQSA-N -1 0 310.310 -0.523 20 0 DBADRM Cn1cc(NC(=O)Cn2ccc(=O)n(C)c2=O)c(C(=O)[O-])c1 ZINC001574213641 1026728049 /nfs/dbraw/zinc/72/80/49/1026728049.db2.gz PDVPLOLELNVYHA-UHFFFAOYSA-N -1 0 306.278 -0.778 20 0 DBADRM Cn1cc(NC(=O)N2CC(S(C)(=O)=O)C2)c(C(=O)[O-])c1 ZINC001574213901 1026728189 /nfs/dbraw/zinc/72/81/89/1026728189.db2.gz YLRUOQXCTFNECU-UHFFFAOYSA-N -1 0 301.324 -0.016 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccncc2)cn1 ZINC001574212092 1026728463 /nfs/dbraw/zinc/72/84/63/1026728463.db2.gz IYCIPYVNGNXHOF-UTUOFQBUSA-N -1 0 320.305 -0.849 20 0 DBADRM Cn1cc(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001574212826 1026728660 /nfs/dbraw/zinc/72/86/60/1026728660.db2.gz SXOPCJALBLJCFI-MRVPVSSYSA-N -1 0 310.310 -0.508 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)c3cc(C(=O)[O-])no3)C2=O)cn1 ZINC001574213434 1026728903 /nfs/dbraw/zinc/72/89/03/1026728903.db2.gz HVYCJVZGSVKESU-MRVPVSSYSA-N -1 0 319.277 -0.358 20 0 DBADRM Cn1cc(NC(=O)N[C@@H](CO)CC2OCCO2)cc1C(=O)[O-] ZINC001574213491 1026729170 /nfs/dbraw/zinc/72/91/70/1026729170.db2.gz JWIQBBXSXFHGMF-SECBINFHSA-N -1 0 313.310 -0.031 20 0 DBADRM Cn1cc(NC(=O)C2(CS(C)(=O)=O)COC2)cc1C(=O)[O-] ZINC001574213671 1026729178 /nfs/dbraw/zinc/72/91/78/1026729178.db2.gz QORVFGRJSZTLSZ-UHFFFAOYSA-N -1 0 316.335 -0.277 20 0 DBADRM Cn1cnnc1[C@H]1CCN(S(=O)(=O)C2(CC(=O)[O-])CC2)C1 ZINC001574221340 1026731743 /nfs/dbraw/zinc/73/17/43/1026731743.db2.gz OMTVNEXRQGFYPV-VIFPVBQESA-N -1 0 314.367 -0.059 20 0 DBADRM Cn1cnc(CCNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)c1 ZINC001574221748 1026731754 /nfs/dbraw/zinc/73/17/54/1026731754.db2.gz XXNXKSARLPZIOB-MWLCHTKSSA-N -1 0 311.342 -0.768 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)c1-n1cnnc1 ZINC001574226250 1026731880 /nfs/dbraw/zinc/73/18/80/1026731880.db2.gz ADPOCJKFLHOTHL-QMMMGPOBSA-N -1 0 305.298 -0.517 20 0 DBADRM Cn1ncc(CCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)n1 ZINC001574226747 1026732343 /nfs/dbraw/zinc/73/23/43/1026732343.db2.gz RNAYCTZUFLJQAC-CHWSQXEVSA-N -1 0 319.321 -0.554 20 0 DBADRM CC(C)COC1CN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001574228394 1026733406 /nfs/dbraw/zinc/73/34/06/1026733406.db2.gz KHEFDKFAEFMQNH-SECBINFHSA-N -1 0 320.357 -0.097 20 0 DBADRM Cn1nccc1[C@@H](O)CNS(=O)(=O)C1(CC(=O)[O-])CC1 ZINC001574227806 1026733722 /nfs/dbraw/zinc/73/37/22/1026733722.db2.gz APALVFLXIUWAJZ-VIFPVBQESA-N -1 0 303.340 -0.620 20 0 DBADRM Cn1ncc(NC(=O)N2C[C@H](C(=O)[O-])C3(COC3)C2)cc1=O ZINC001574229177 1026733956 /nfs/dbraw/zinc/73/39/56/1026733956.db2.gz VMZAEVOQEBXLGU-SECBINFHSA-N -1 0 308.294 -0.655 20 0 DBADRM COc1nccc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001574244024 1026734949 /nfs/dbraw/zinc/73/49/49/1026734949.db2.gz AQIYPFCASYEPTJ-SNVBAGLBSA-N -1 0 322.321 -0.319 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001574243223 1026735052 /nfs/dbraw/zinc/73/50/52/1026735052.db2.gz SSSAMFBFZLNALD-NQMVMOMDSA-N -1 0 318.351 -0.312 20 0 DBADRM COc1cnc(N(C)C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)nc1 ZINC001574238632 1026735378 /nfs/dbraw/zinc/73/53/78/1026735378.db2.gz ZRAYSKMCMVLUOJ-SNVBAGLBSA-N -1 0 322.321 -0.229 20 0 DBADRM COc1nccc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001574244021 1026735391 /nfs/dbraw/zinc/73/53/91/1026735391.db2.gz AQIYPFCASYEPTJ-JTQLQIEISA-N -1 0 322.321 -0.319 20 0 DBADRM NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H](O)CC(=O)[O-])CC1 ZINC001574248860 1026736680 /nfs/dbraw/zinc/73/66/80/1026736680.db2.gz MNLIFYHBQLQEQP-GFCCVEGCSA-N -1 0 320.345 -0.132 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001574249228 1026736713 /nfs/dbraw/zinc/73/67/13/1026736713.db2.gz UHXMOWXAPXECFC-OPRDCNLKSA-N -1 0 319.383 -0.427 20 0 DBADRM NC(=O)[C@H](NC(=O)[C@@H]1CSCN1C(=O)[O-])c1ccccn1 ZINC001574249914 1026737368 /nfs/dbraw/zinc/73/73/68/1026737368.db2.gz ULVBUPRWHGJVBL-DTWKUNHWSA-N -1 0 310.335 -0.223 20 0 DBADRM NC(=O)CSCC(=O)NCc1nc(CC(=O)[O-])cs1 ZINC001574255203 1026738734 /nfs/dbraw/zinc/73/87/34/1026738734.db2.gz SMMKSGOFXWMXRS-UHFFFAOYSA-N -1 0 303.365 -0.395 20 0 DBADRM NC(=O)COC1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001574255090 1026739678 /nfs/dbraw/zinc/73/96/78/1026739678.db2.gz PGSZWXVIBGPAAN-UHFFFAOYSA-N -1 0 320.367 -0.710 20 0 DBADRM NC(=O)CCn1c(SC[C@H](O)CC(=O)[O-])nnc1C1CC1 ZINC001574255112 1026740561 /nfs/dbraw/zinc/74/05/61/1026740561.db2.gz QOCXQXXJAQCUGS-MRVPVSSYSA-N -1 0 314.367 -0.041 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)cc1 ZINC001574260192 1026742459 /nfs/dbraw/zinc/74/24/59/1026742459.db2.gz WGHVURBEHKKJLY-MNOVXSKESA-N -1 0 307.306 -0.514 20 0 DBADRM NC(=O)c1ccc(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)cn1 ZINC001574259458 1026742503 /nfs/dbraw/zinc/74/25/03/1026742503.db2.gz POSZXCPMZQXKFM-CQSZACIVSA-N -1 0 307.306 -0.208 20 0 DBADRM NC(=O)NC1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001574256741 1026742624 /nfs/dbraw/zinc/74/26/24/1026742624.db2.gz LCXGIXSSVDRIJM-UHFFFAOYSA-N -1 0 305.356 -0.544 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)N[C@@H](CO)CC(=O)[O-])cc1 ZINC001574258907 1026742734 /nfs/dbraw/zinc/74/27/34/1026742734.db2.gz BLCYISHAYGGYPK-SNVBAGLBSA-N -1 0 310.306 -0.494 20 0 DBADRM NC(=O)N1CC[C@H](CNC(=O)CC2(C(=O)[O-])CCOCC2)C1 ZINC001574256212 1026742863 /nfs/dbraw/zinc/74/28/63/1026742863.db2.gz ADDHNLAIZKJLPM-SNVBAGLBSA-N -1 0 313.354 -0.225 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NC(=O)NC[C@@]2(C(=O)[O-])CCCOC2)C1 ZINC001574256667 1026743032 /nfs/dbraw/zinc/74/30/32/1026743032.db2.gz HGOKLMDOYKVYSA-RBZYPMLTSA-N -1 0 313.354 -0.179 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCO[C@@H](C(=O)[O-])C2)O1 ZINC001574256206 1026743272 /nfs/dbraw/zinc/74/32/72/1026743272.db2.gz ACPBVQCARHNSTL-KXUCPTDWSA-N -1 0 300.311 -0.889 20 0 DBADRM NC(=O)CN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CCC1(F)F ZINC001574255479 1026743433 /nfs/dbraw/zinc/74/34/33/1026743433.db2.gz YPHRNRFFFFYLNQ-LURJTMIESA-N -1 0 300.283 -0.767 20 0 DBADRM NC(=O)c1ccc(N2CCN(C(=O)[C@@H](O)CC(=O)[O-])CC2)cc1 ZINC001574260323 1026744768 /nfs/dbraw/zinc/74/47/68/1026744768.db2.gz ZYRFJNIYWCGYOU-LBPRGKRZSA-N -1 0 321.333 -0.730 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)N[C@H]2CC=C(C(=O)[O-])C2)CCC1 ZINC001574281269 1026747451 /nfs/dbraw/zinc/74/74/51/1026747451.db2.gz ZMJJYYVLVSNNQQ-VIFPVBQESA-N -1 0 317.367 -0.330 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@H](CC(=O)[O-])C(F)(F)F ZINC001574281196 1026748236 /nfs/dbraw/zinc/74/82/36/1026748236.db2.gz YPOLHYRLUHGPSO-RXMQYKEDSA-N -1 0 306.262 -0.423 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC001574281111 1026748620 /nfs/dbraw/zinc/74/86/20/1026748620.db2.gz WVCCUEITPIJKSU-RKDXNWHRSA-N -1 0 320.371 -0.941 20 0 DBADRM O=C(CC1(C(=O)[O-])CCOCC1)N[C@H](CO)[C@@H]1CCOC1 ZINC001574292851 1026749186 /nfs/dbraw/zinc/74/91/86/1026749186.db2.gz KBNVBLIMHNDHMF-GHMZBOCLSA-N -1 0 301.339 -0.229 20 0 DBADRM Nc1c(C(=O)[O-])ncn1C1CCN(C(=O)C2(O)COC2)CC1 ZINC001574287575 1026749793 /nfs/dbraw/zinc/74/97/93/1026749793.db2.gz PZQRPAGRMOFIMG-UHFFFAOYSA-N -1 0 310.310 -0.912 20 0 DBADRM C[C@H]1[C@@H](O)CCN1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574291482 1026750462 /nfs/dbraw/zinc/75/04/62/1026750462.db2.gz VTPHYPITTQOQOI-DCAQKATOSA-N -1 0 313.354 -0.383 20 0 DBADRM O=C(CC1(C(=O)[O-])CCOCC1)NN1CCS(=O)(=O)CC1 ZINC001574292609 1026750497 /nfs/dbraw/zinc/75/04/97/1026750497.db2.gz FMEQYTNTCJADBD-UHFFFAOYSA-N -1 0 320.367 -0.981 20 0 DBADRM Nc1ncc(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)cn1 ZINC001574291823 1026751412 /nfs/dbraw/zinc/75/14/12/1026751412.db2.gz OAFYYPZIBBYKLR-UHFFFAOYSA-N -1 0 300.340 -0.020 20 0 DBADRM O=C(CC1(C(=O)[O-])CCOCC1)N[C@@H](CO)[C@H]1CCOC1 ZINC001574292853 1026751696 /nfs/dbraw/zinc/75/16/96/1026751696.db2.gz KBNVBLIMHNDHMF-QWRGUYRKSA-N -1 0 301.339 -0.229 20 0 DBADRM O=C(CN1CCCCCCC1=O)NCc1nc(C(=O)[O-])n[nH]1 ZINC001574299737 1026752770 /nfs/dbraw/zinc/75/27/70/1026752770.db2.gz RIYVCFIKRFNPOQ-UHFFFAOYSA-N -1 0 309.326 -0.088 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@@H]1CCNC1=O)[C@H](O)c1ccncc1 ZINC001574293574 1026753218 /nfs/dbraw/zinc/75/32/18/1026753218.db2.gz KZVWOTQMWPETPC-MVWJERBFSA-N -1 0 307.306 -0.789 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCn1cncn1)[C@H](O)c1ccncc1 ZINC001574299525 1026753383 /nfs/dbraw/zinc/75/33/83/1026753383.db2.gz MSRJEIVMCYMHNA-NWDGAFQWSA-N -1 0 305.294 -0.634 20 0 DBADRM O=C([O-])c1cc(NC(=O)CCC(=O)N2CCC(O)CC2)[nH]n1 ZINC001574293263 1026753617 /nfs/dbraw/zinc/75/36/17/1026753617.db2.gz ARLSRKZEMKFRTJ-UHFFFAOYSA-N -1 0 310.310 -0.190 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCn1ccnc1)[C@@H](O)c1cccnc1 ZINC001574299507 1026753846 /nfs/dbraw/zinc/75/38/46/1026753846.db2.gz LWMCDXGSHYXOOR-STQMWFEESA-N -1 0 304.306 -0.029 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)CCc2ccc(=O)[nH]c2)C1 ZINC001574299731 1026753886 /nfs/dbraw/zinc/75/38/86/1026753886.db2.gz RCQNAYMIFMTMSH-WDEREUQCSA-N -1 0 309.322 -0.193 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@@H]1COC(=O)C1)[C@H](O)c1ccncc1 ZINC001574293768 1026753912 /nfs/dbraw/zinc/75/39/12/1026753912.db2.gz OFUIVIBVLXGWQB-ZEGGKSINSA-N -1 0 308.290 -0.362 20 0 DBADRM O=C([O-])[C@H](NC(=O)CO[C@@H]1CCOC1)[C@H](O)c1ccncc1 ZINC001574300345 1026754511 /nfs/dbraw/zinc/75/45/11/1026754511.db2.gz IUQCOVOTVBXPMU-RAIGVLPGSA-N -1 0 310.306 -0.510 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)COCc2ccncc2)C1 ZINC001574302511 1026755296 /nfs/dbraw/zinc/75/52/96/1026755296.db2.gz JMQDCWZNKKTFCL-VXGBXAGGSA-N -1 0 309.322 -0.315 20 0 DBADRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)Cc1nc2ncccn2n1 ZINC001574301892 1026755524 /nfs/dbraw/zinc/75/55/24/1026755524.db2.gz MLSFUKOEQAOWFT-NXEZZACHSA-N -1 0 319.321 -0.195 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cc(=O)cc[nH]1)[C@@H](O)c1ccncc1 ZINC001574308540 1026757100 /nfs/dbraw/zinc/75/71/00/1026757100.db2.gz LXFYNMJTNQYAER-RYUDHWBXSA-N -1 0 303.274 -0.314 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1ccc(Cn2ccccc2=O)o1 ZINC001574309790 1026757350 /nfs/dbraw/zinc/75/73/50/1026757350.db2.gz ZWZXBQCVGGNUII-SNVBAGLBSA-N -1 0 306.274 -0.335 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1cc(CO)on1)[C@H](O)c1cccnc1 ZINC001574309569 1026757443 /nfs/dbraw/zinc/75/74/43/1026757443.db2.gz YEOVDXABGPVJJZ-GHMZBOCLSA-N -1 0 307.262 -0.522 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)N[C@@H](CO)CC1OCCO1 ZINC001574309976 1026757544 /nfs/dbraw/zinc/75/75/44/1026757544.db2.gz KKTOTYRJMRQNKC-HTQZYQBOSA-N -1 0 306.340 -0.721 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001574311142 1026757848 /nfs/dbraw/zinc/75/78/48/1026757848.db2.gz CMULPQVUZPZHNU-XVKPBYJWSA-N -1 0 320.305 -0.031 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1ccc(=O)[nH]n1)[C@@H](O)c1cccnc1 ZINC001574308830 1026758205 /nfs/dbraw/zinc/75/82/05/1026758205.db2.gz PFKNGRSMPQHCHH-QWRGUYRKSA-N -1 0 304.262 -0.506 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2cnc3nccnc3c2)[C@@H](CO)C1 ZINC001574312233 1026758844 /nfs/dbraw/zinc/75/88/44/1026758844.db2.gz YBIZPFKPWMMKCL-KOLCDFICSA-N -1 0 317.305 -0.275 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001574312192 1026759190 /nfs/dbraw/zinc/75/91/90/1026759190.db2.gz XBYNTCMWLDTTOA-MKPLZMMCSA-N -1 0 308.338 -0.399 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001574312139 1026759244 /nfs/dbraw/zinc/75/92/44/1026759244.db2.gz UURVCVJFJFAKPR-KWQFWETISA-N -1 0 308.338 -0.011 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)N[C@@H]2COC3(CCC3)C2)[C@@H](CO)C1 ZINC001574311552 1026759300 /nfs/dbraw/zinc/75/93/00/1026759300.db2.gz KGWWVSDXOFHIKF-VWYCJHECSA-N -1 0 313.354 -0.032 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2cnc3c[nH]nc3c2)C1 ZINC001574311751 1026759324 /nfs/dbraw/zinc/75/93/24/1026759324.db2.gz PHPNHQORQXLSGZ-KWQFWETISA-N -1 0 305.294 -0.342 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001574311537 1026760016 /nfs/dbraw/zinc/76/00/16/1026760016.db2.gz JUUOZGWHDVCPJV-RKDXNWHRSA-N -1 0 321.293 -0.865 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@]23COC(=O)N2CCOC3)C1 ZINC001574319839 1026760422 /nfs/dbraw/zinc/76/04/22/1026760422.db2.gz VIYAPSHEIOCYKF-RBZYPMLTSA-N -1 0 312.322 -0.175 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)NCCc2cnccn2)C1 ZINC001574323552 1026761083 /nfs/dbraw/zinc/76/10/83/1026761083.db2.gz FNIHTPWVJMJPCR-ONGXEEELSA-N -1 0 309.326 -0.711 20 0 DBADRM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)CNC(=O)c1ncccc1O ZINC001574322307 1026761441 /nfs/dbraw/zinc/76/14/41/1026761441.db2.gz OLTDMTSLKFKZSS-RWEMILLDSA-N -1 0 319.317 -0.019 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)NC[C@@H]2CCCCO2)C1 ZINC001574318935 1026761832 /nfs/dbraw/zinc/76/18/32/1026761832.db2.gz CRTWNSQBIIMPGG-GARJFASQSA-N -1 0 301.343 -0.175 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)NC[C@@H]2CCCOC2)C1 ZINC001574319155 1026761868 /nfs/dbraw/zinc/76/18/68/1026761868.db2.gz GWWCWYRHAJUTLW-GARJFASQSA-N -1 0 301.343 -0.317 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)NCCC2(O)CCC2)C1 ZINC001574319478 1026762263 /nfs/dbraw/zinc/76/22/63/1026762263.db2.gz MADRLBURQQHEPQ-UWVGGRQHSA-N -1 0 301.343 -0.439 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)NCc2ncccc2F)C1 ZINC001574334983 1026763036 /nfs/dbraw/zinc/76/30/36/1026763036.db2.gz YHKPSTMFAUDJPW-LDYMZIIASA-N -1 0 312.301 -0.009 20 0 DBADRM O=C([O-])[C@@H](F)C1CN(C(=O)NCCC2(O)CCOCC2)C1 ZINC001574345241 1026763099 /nfs/dbraw/zinc/76/30/99/1026763099.db2.gz KALWDDIZAAIQBT-JTQLQIEISA-N -1 0 304.318 -0.018 20 0 DBADRM O=C([O-])c1cc(CNC(=O)NC[C@H](CO)[C@H]2CCOC2)on1 ZINC001574326678 1026763260 /nfs/dbraw/zinc/76/32/60/1026763260.db2.gz CLLCQMVHBZYQDE-DTWKUNHWSA-N -1 0 313.310 -0.183 20 0 DBADRM O=C([O-])c1cc(CNC(=O)NC[C@@H](CO)[C@H]2CCOC2)on1 ZINC001574326679 1026764293 /nfs/dbraw/zinc/76/42/93/1026764293.db2.gz CLLCQMVHBZYQDE-IUCAKERBSA-N -1 0 313.310 -0.183 20 0 DBADRM CC(C)O[C@H]1C[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001574339723 1026764788 /nfs/dbraw/zinc/76/47/88/1026764788.db2.gz COUHWSCEEOHSMC-DTORHVGOSA-N -1 0 306.330 -0.470 20 0 DBADRM O=C([O-])c1cc(CNC(=O)NC[C@H](CO)[C@@H]2CCOC2)on1 ZINC001574326680 1026764974 /nfs/dbraw/zinc/76/49/74/1026764974.db2.gz CLLCQMVHBZYQDE-RKDXNWHRSA-N -1 0 313.310 -0.183 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)Cc2ccno2)CC12COC2 ZINC001574355596 1026766738 /nfs/dbraw/zinc/76/67/38/1026766738.db2.gz DRVGHJBHLJAPNL-SECBINFHSA-N -1 0 302.308 -0.463 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NC[C@H](O)COCC2CC2)CCC1 ZINC001574351828 1026767122 /nfs/dbraw/zinc/76/71/22/1026767122.db2.gz MBAAMOHPXFFNRZ-JTQLQIEISA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C[C@@H](C(F)(F)F)S(=O)(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001574356487 1026768104 /nfs/dbraw/zinc/76/81/04/1026768104.db2.gz HPIZOIXKMKPEQN-VQVTYTSYSA-N -1 0 321.273 -0.851 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001574358415 1026768195 /nfs/dbraw/zinc/76/81/95/1026768195.db2.gz WEBJWUFSLOHUNQ-OWCSCZDJSA-N -1 0 304.302 -0.152 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)CN1CCC(=O)NC1=O)c1ccncc1 ZINC001574358817 1026768492 /nfs/dbraw/zinc/76/84/92/1026768492.db2.gz ZDBJPJIXLFJKRX-SNVBAGLBSA-N -1 0 320.305 -0.345 20 0 DBADRM O=C([O-])[C@H]1CSCN1S(=O)(=O)CCN1CCOC1=O ZINC001574356458 1026768585 /nfs/dbraw/zinc/76/85/85/1026768585.db2.gz HFLOJLFZFTZACV-SSDOTTSWSA-N -1 0 310.353 -0.772 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001574358416 1026768691 /nfs/dbraw/zinc/76/86/91/1026768691.db2.gz WEBJWUFSLOHUNQ-UYNUJQBQSA-N -1 0 304.302 -0.152 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCC2(C1)OCCO2 ZINC001574355708 1026769010 /nfs/dbraw/zinc/76/90/10/1026769010.db2.gz INDAJDIWQQXJEP-ZJUUUORDSA-N -1 0 320.367 -0.335 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC001574355819 1026769178 /nfs/dbraw/zinc/76/91/78/1026769178.db2.gz NWZWWRKHKBUQHD-LNFKQOIKSA-N -1 0 304.368 -0.375 20 0 DBADRM O=C([O-])C[C@@H](CO)NC(=O)c1ncc(Br)cn1 ZINC001574357620 1026769403 /nfs/dbraw/zinc/76/94/03/1026769403.db2.gz QGJWODQXDXUWFN-LURJTMIESA-N -1 0 304.100 -0.196 20 0 DBADRM O=C([O-])C[C@@H](CO)NC(=O)CNC(=O)COc1ccccc1 ZINC001574357644 1026769571 /nfs/dbraw/zinc/76/95/71/1026769571.db2.gz QVVMLLUQLDVTDN-JTQLQIEISA-N -1 0 310.306 -0.867 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001574363334 1026770999 /nfs/dbraw/zinc/77/09/99/1026770999.db2.gz OXDDHNXPWHLIJD-OLZOCXBDSA-N -1 0 320.345 -0.013 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001574362188 1026771013 /nfs/dbraw/zinc/77/10/13/1026771013.db2.gz KNOSLVBRHZSQIT-RNFRBKRXSA-N -1 0 312.244 -0.651 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N[C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC001574362837 1026771742 /nfs/dbraw/zinc/77/17/42/1026771742.db2.gz MDJYQPOHHLJMMU-HOSYDEDBSA-N -1 0 301.339 -0.352 20 0 DBADRM O=C([O-])CC1(NC(=O)c2cn(Cc3ccccn3)nn2)COC1 ZINC001574365310 1026772233 /nfs/dbraw/zinc/77/22/33/1026772233.db2.gz UCXXUXOILNNWKB-UHFFFAOYSA-N -1 0 317.305 -0.305 20 0 DBADRM O=C([O-])CNS(=O)(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC001574371960 1026772246 /nfs/dbraw/zinc/77/22/46/1026772246.db2.gz LHFLXOSAZMGJRH-JTQLQIEISA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c1 ZINC001574371125 1026772966 /nfs/dbraw/zinc/77/29/66/1026772966.db2.gz LZNAMYHPSMFUGZ-GHMZBOCLSA-N -1 0 301.320 -0.648 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001574372396 1026773088 /nfs/dbraw/zinc/77/30/88/1026773088.db2.gz PPNQHCBKTRUTES-TUAOUCFPSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])CC1(S(=O)(=O)N2CCC3(CNC(=O)O3)CC2)CC1 ZINC001574365531 1026773133 /nfs/dbraw/zinc/77/31/33/1026773133.db2.gz YWKJNVSGRRHENA-UHFFFAOYSA-N -1 0 318.351 -0.102 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)COC1 ZINC001574365510 1026773216 /nfs/dbraw/zinc/77/32/16/1026773216.db2.gz YAYMDUOWWBVFTR-MRVPVSSYSA-N -1 0 308.294 -0.878 20 0 DBADRM O=C([O-])CNC(=O)C1CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 ZINC001574372085 1026773811 /nfs/dbraw/zinc/77/38/11/1026773811.db2.gz PDUZZUGTAIHJDT-VIFPVBQESA-N -1 0 312.322 -0.621 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1COCCN1C[C@@H]1CCCC[C@@H]1O ZINC001574372392 1026774116 /nfs/dbraw/zinc/77/41/16/1026774116.db2.gz PMIYCFTZSDYULN-SRVKXCTJSA-N -1 0 300.355 -0.561 20 0 DBADRM O=C([O-])Cc1csc(CNC(=O)CN2CCCNC2=O)n1 ZINC001574375590 1026774539 /nfs/dbraw/zinc/77/45/39/1026774539.db2.gz SDHJDUYFJJSJJE-UHFFFAOYSA-N -1 0 312.351 -0.198 20 0 DBADRM O=C([O-])Cc1nnc(NC(=O)NC[C@H]2CCCNC2=O)s1 ZINC001574375120 1026774637 /nfs/dbraw/zinc/77/46/37/1026774637.db2.gz FSFLNQLSZMRHKP-ZCFIWIBFSA-N -1 0 313.339 -0.187 20 0 DBADRM O=C([O-])N1CCC(S(=O)(=O)NCCn2cncn2)CC1 ZINC001574376361 1026774786 /nfs/dbraw/zinc/77/47/86/1026774786.db2.gz DQIFZLSRNBYRQO-UHFFFAOYSA-N -1 0 303.344 -0.660 20 0 DBADRM O=C([O-])N1CCC(S(=O)(=O)NCCN2CCNC2=O)CC1 ZINC001574377849 1026775220 /nfs/dbraw/zinc/77/52/20/1026775220.db2.gz ZQKZTWFEFRZSST-UHFFFAOYSA-N -1 0 320.371 -0.927 20 0 DBADRM O=C([O-])N1CCN(S(=O)(=O)N2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC1 ZINC001574377671 1026775761 /nfs/dbraw/zinc/77/57/61/1026775761.db2.gz XNLVHPYPQBLOBH-OUAUKWLOSA-N -1 0 319.383 -0.771 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)N2CC3(C2)CCNC(=O)O3)n1 ZINC001574375145 1026775772 /nfs/dbraw/zinc/77/57/72/1026775772.db2.gz GXVDTRLJKLOIIW-UHFFFAOYSA-N -1 0 310.270 -0.921 20 0 DBADRM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)CN1CCCS1(=O)=O ZINC001574398356 1026777189 /nfs/dbraw/zinc/77/71/89/1026777189.db2.gz FBGLGLSZUUUIFS-NGZCFLSTSA-N -1 0 302.352 -0.514 20 0 DBADRM O=C([O-])N[C@H]1CCCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001574380819 1026778527 /nfs/dbraw/zinc/77/85/27/1026778527.db2.gz JAJRUGADVVWLLT-BDAKNGLRSA-N -1 0 309.326 -0.195 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1CN1CCN(C[C@@H]2CCCS2(=O)=O)CC1 ZINC001574395338 1026778544 /nfs/dbraw/zinc/77/85/44/1026778544.db2.gz BPTUVQNKKXNHAJ-RWMBFGLXSA-N -1 0 316.423 -0.098 20 0 DBADRM CC(C)[C@@H]1C[C@H]1CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001574393122 1026778859 /nfs/dbraw/zinc/77/88/59/1026778859.db2.gz ANHJWRKVCAFRSS-IUCAKERBSA-N -1 0 319.369 -0.032 20 0 DBADRM O=C([O-])N[C@@H]1CCCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001574380822 1026779259 /nfs/dbraw/zinc/77/92/59/1026779259.db2.gz JAJRUGADVVWLLT-RKDXNWHRSA-N -1 0 309.326 -0.195 20 0 DBADRM O=C([O-])NCC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC001574380958 1026779297 /nfs/dbraw/zinc/77/92/97/1026779297.db2.gz OKPARHQOQDTZAP-NXEZZACHSA-N -1 0 319.383 -0.237 20 0 DBADRM O=C([O-])c1ccc(CS(=O)(=O)N2CC(CO)(CO)C2)cc1 ZINC001574415355 1026779574 /nfs/dbraw/zinc/77/95/74/1026779574.db2.gz QQJFIGCFMSPBED-UHFFFAOYSA-N -1 0 315.347 -0.499 20 0 DBADRM Cc1cn2nc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc2c(=O)[nH]1 ZINC001574411200 1026779864 /nfs/dbraw/zinc/77/98/64/1026779864.db2.gz XIOAPPMWYNACDO-SNVBAGLBSA-N -1 0 306.278 -0.743 20 0 DBADRM O=C([O-])c1cc(CNS(=O)(=O)N2CCCOCC2)on1 ZINC001574408713 1026780412 /nfs/dbraw/zinc/78/04/12/1026780412.db2.gz OAFQVUNGNXBPDC-UHFFFAOYSA-N -1 0 305.312 -0.571 20 0 DBADRM O=C([O-])c1nc[nH]c1CNC(=O)[C@H]1CCCCS1(=O)=O ZINC001574405228 1026780465 /nfs/dbraw/zinc/78/04/65/1026780465.db2.gz AWZMEENPZPREMT-MRVPVSSYSA-N -1 0 301.324 -0.309 20 0 DBADRM O=C([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCOC[C@H]2O)cc1 ZINC001574415285 1026780900 /nfs/dbraw/zinc/78/09/00/1026780900.db2.gz NPKNVTNCMVXQGE-VXGBXAGGSA-N -1 0 315.347 -0.046 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)cn1 ZINC001574415350 1026781012 /nfs/dbraw/zinc/78/10/12/1026781012.db2.gz QNQZFYDYRXWNPW-MRVPVSSYSA-N -1 0 320.309 -0.743 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CC(CO)(CO)C2)c1 ZINC001574415215 1026781351 /nfs/dbraw/zinc/78/13/51/1026781351.db2.gz MQGLXOHDLNNQFH-UHFFFAOYSA-N -1 0 319.310 -0.501 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCC(O)(C1CC1)C1CC1 ZINC001574417293 1026782323 /nfs/dbraw/zinc/78/23/23/1026782323.db2.gz JFWBBZGRLCMSNM-UHFFFAOYSA-N -1 0 315.351 -0.063 20 0 DBADRM O=C([O-])c1ncc(Br)c(N[C@@H]2COCC[C@H]2O)n1 ZINC001574423249 1026782425 /nfs/dbraw/zinc/78/24/25/1026782425.db2.gz NRVQRZKGFVUFCG-RNFRBKRXSA-N -1 0 318.127 -0.079 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CC(=O)N(CC2CC2)C1 ZINC001574415768 1026782503 /nfs/dbraw/zinc/78/25/03/1026782503.db2.gz XKBSPTIMJMQKLF-UHFFFAOYSA-N -1 0 314.323 -0.692 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@H]1CCCC(=O)N1)[C@@H](O)c1ccncc1 ZINC001574430918 1026784696 /nfs/dbraw/zinc/78/46/96/1026784696.db2.gz ONMJNWFCDVUGAH-SWHYSGLUSA-N -1 0 321.333 -0.257 20 0 DBADRM O=C([O-])c1ncc(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)s1 ZINC001574430298 1026784828 /nfs/dbraw/zinc/78/48/28/1026784828.db2.gz DUIFASPKYXAZTA-RNFRBKRXSA-N -1 0 311.319 -0.429 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@H]1CCCN1C(=O)c1cn[nH]c(=O)c1 ZINC001574423548 1026785438 /nfs/dbraw/zinc/78/54/38/1026785438.db2.gz SHJMEJFIDFWVPP-SSDOTTSWSA-N -1 0 304.266 -0.024 20 0 DBADRM O=C([O-])c1noc(CN2CCC3(CC2)C[C@@H](O)CNC3=O)n1 ZINC001574429378 1026786158 /nfs/dbraw/zinc/78/61/58/1026786158.db2.gz NFGJAFLEJNQMNT-MRVPVSSYSA-N -1 0 310.310 -0.769 20 0 DBADRM Cc1nnc(CNC(=O)NCCOCCOCC(=O)[O-])o1 ZINC001574436360 1026787031 /nfs/dbraw/zinc/78/70/31/1026787031.db2.gz PVBKJGKWADBLON-UHFFFAOYSA-N -1 0 302.287 -0.705 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCNC(=O)CC1)[C@@H](O)c1cccnc1 ZINC001574431130 1026787972 /nfs/dbraw/zinc/78/79/72/1026787972.db2.gz TXUBOFKXYFXHDH-BIMULSAOSA-N -1 0 321.333 -0.399 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)[C@@H](O)c1ccncc1 ZINC001574431140 1026788008 /nfs/dbraw/zinc/78/80/08/1026788008.db2.gz UGERVPLCUBUBKM-USWWRNFRSA-N -1 0 307.306 -0.789 20 0 DBADRM O=C([O-])c1nc(NC(=O)[C@@H]2CSCC(=O)N2)[nH]c1Cl ZINC001574435849 1026788185 /nfs/dbraw/zinc/78/81/85/1026788185.db2.gz UVDJRTFKNMWKMJ-VKHMYHEASA-N -1 0 304.715 -0.069 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCNC(=O)C1)[C@@H](O)c1ccncc1 ZINC001574431139 1026788247 /nfs/dbraw/zinc/78/82/47/1026788247.db2.gz UGERVPLCUBUBKM-JLLWLGSASA-N -1 0 307.306 -0.789 20 0 DBADRM Cn1ccn2c(CCNC(=O)[C@@H](C(=O)[O-])C3CC3)nnc2c1=O ZINC001574456366 1026789570 /nfs/dbraw/zinc/78/95/70/1026789570.db2.gz FGLMJZCHCQPIFU-JTQLQIEISA-N -1 0 319.321 -0.803 20 0 DBADRM Cn1ccc(CCC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001574456428 1026789616 /nfs/dbraw/zinc/78/96/16/1026789616.db2.gz IKLSZHRAGFSAQZ-SNVBAGLBSA-N -1 0 315.351 -0.937 20 0 DBADRM Cn1cc(C[C@@H](CO)NC(=O)c2cnc(C(=O)[O-])cn2)cn1 ZINC001574457503 1026791386 /nfs/dbraw/zinc/79/13/86/1026791386.db2.gz DNAGLOINKHSTEC-VIFPVBQESA-N -1 0 305.294 -0.758 20 0 DBADRM Cn1ccn2c(CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)nnc2c1=O ZINC001574456787 1026791413 /nfs/dbraw/zinc/79/14/13/1026791413.db2.gz SNVHZEDOKGRVMG-SECBINFHSA-N -1 0 321.337 -0.209 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@H]1CCCCS1(=O)=O ZINC001574466091 1026791722 /nfs/dbraw/zinc/79/17/22/1026791722.db2.gz TVKJOECWXZBNCX-MRVPVSSYSA-N -1 0 315.351 -0.185 20 0 DBADRM Cn1cc(CNC(=O)Nc2cccnc2C(=O)[O-])c(=O)[nH]c1=O ZINC001574457466 1026791824 /nfs/dbraw/zinc/79/18/24/1026791824.db2.gz BZVKHXPZYFOVEP-UHFFFAOYSA-N -1 0 319.277 -0.099 20 0 DBADRM NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001574499356 1026792711 /nfs/dbraw/zinc/79/27/11/1026792711.db2.gz IPTWLDLOORAXRS-NWDGAFQWSA-N -1 0 317.301 -0.345 20 0 DBADRM NS(=O)(=O)N1CCC(NC(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001574506497 1026792777 /nfs/dbraw/zinc/79/27/77/1026792777.db2.gz ASVGTYCWCGUREF-UHFFFAOYSA-N -1 0 317.367 -0.809 20 0 DBADRM O=C([O-])c1ccc(/C=C/C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)o1 ZINC001574514282 1026792852 /nfs/dbraw/zinc/79/28/52/1026792852.db2.gz ZEVSGJKODJJVJN-HBMQMAGWSA-N -1 0 315.303 -0.735 20 0 DBADRM NC(=O)Cn1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)nn1 ZINC001574500614 1026793029 /nfs/dbraw/zinc/79/30/29/1026793029.db2.gz PSEFVXWNDLHHHN-VIFPVBQESA-N -1 0 309.326 -0.520 20 0 DBADRM NC(=O)Cn1ccc(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)n1 ZINC001574500492 1026793679 /nfs/dbraw/zinc/79/36/79/1026793679.db2.gz OJTKOKBFEVMQSN-BDAKNGLRSA-N -1 0 310.310 -0.423 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCCn2ccc(=O)[nH]c2=O)C1 ZINC001574570789 1026795105 /nfs/dbraw/zinc/79/51/05/1026795105.db2.gz IMTIPLIBDAWGFB-ZJUUUORDSA-N -1 0 324.337 -0.109 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCn2ccc(=O)[nH]c2=O)cn1 ZINC001574573725 1026795287 /nfs/dbraw/zinc/79/52/87/1026795287.db2.gz NTBNCNSBRAZSMM-UHFFFAOYSA-N -1 0 304.262 -0.528 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCCOCCO)CCOCC1 ZINC001574571088 1026795303 /nfs/dbraw/zinc/79/53/03/1026795303.db2.gz RQSLJXBWHWILGP-UHFFFAOYSA-N -1 0 304.343 -0.434 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001574551375 1026795670 /nfs/dbraw/zinc/79/56/70/1026795670.db2.gz XPHWBHRIGZLGTB-XYPYZODXSA-N -1 0 312.370 -0.735 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001574528326 1026795983 /nfs/dbraw/zinc/79/59/83/1026795983.db2.gz CRWDALCOLPDTAC-UHFFFAOYSA-N -1 0 315.351 -0.180 20 0 DBADRM O=C([O-])C1(CNC(=O)N[C@@H]2COCC[C@H]2O)CCOCC1 ZINC001574562884 1026796204 /nfs/dbraw/zinc/79/62/04/1026796204.db2.gz UVFXMENQERITQE-NXEZZACHSA-N -1 0 302.327 -0.683 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)C(F)(F)C2(O)CCCC2)CC1 ZINC001574616617 1026798024 /nfs/dbraw/zinc/79/80/24/1026798024.db2.gz SFHCSYQYLGEKOL-UHFFFAOYSA-N -1 0 320.292 -0.318 20 0 DBADRM C[C@H](O)[C@H](NC(=O)Cc1ccc(-n2cnnc2)cc1)C(=O)[O-] ZINC001574662371 1026799652 /nfs/dbraw/zinc/79/96/52/1026799652.db2.gz MTUJDVOURZISJT-ZANVPECISA-N -1 0 304.306 -0.240 20 0 DBADRM CS(=O)(=O)c1cccc(Cl)c1C(=O)NC[C@H](O)C(=O)[O-] ZINC001574651462 1026799888 /nfs/dbraw/zinc/79/98/88/1026799888.db2.gz DKFWYLBSAUVVEG-ZETCQYMHSA-N -1 0 321.738 -0.081 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001574661642 1026799984 /nfs/dbraw/zinc/79/99/84/1026799984.db2.gz QIGLFSQYWHCGFK-NFMCEHEJSA-N -1 0 311.290 -0.981 20 0 DBADRM C[C@@H](NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)C(=O)[O-] ZINC001574657365 1026800236 /nfs/dbraw/zinc/80/02/36/1026800236.db2.gz UGPAQVBXLKOSIP-MRVPVSSYSA-N -1 0 302.327 -0.329 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCN(Cc3cn[nH]c3)CC2)C1 ZINC001574640012 1026800580 /nfs/dbraw/zinc/80/05/80/1026800580.db2.gz HDGMBBFNLKCTSG-NSHDSACASA-N -1 0 307.310 -0.717 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)NN2CCS(=O)(=O)CC2)CO1 ZINC001574687887 1026801685 /nfs/dbraw/zinc/80/16/85/1026801685.db2.gz XLCQGQQVKWMYHI-UWVGGRQHSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cncc2[nH]ccc21 ZINC001574669430 1026802321 /nfs/dbraw/zinc/80/23/21/1026802321.db2.gz SRNMKRCMBGFJOW-NSHDSACASA-N -1 0 323.330 -0.113 20 0 DBADRM C[C@H](O)[C@H](NC(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001574662777 1026802533 /nfs/dbraw/zinc/80/25/33/1026802533.db2.gz YXHIHMLLLHYCKM-AUTRQRHGSA-N -1 0 324.337 -0.887 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)CCCc2nnn[n-]2)C1=O ZINC001574723014 1026803280 /nfs/dbraw/zinc/80/32/80/1026803280.db2.gz VIPURGILKXBUOC-VIFPVBQESA-N -1 0 324.341 -0.896 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)C[C@H]2CCNC2=O)C1=O ZINC001574723132 1026803315 /nfs/dbraw/zinc/80/33/15/1026803315.db2.gz XGCLRAAQSYTADS-NXEZZACHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)Nc2ccc[n+]([O-])c2)C1=O ZINC001574723196 1026803463 /nfs/dbraw/zinc/80/34/63/1026803463.db2.gz AZYUDWBOAWWDQY-LLVKDONJSA-N -1 0 322.321 -0.093 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1CCC[C@H](O)C1)C(=O)[O-] ZINC000424499772 282078748 /nfs/dbraw/zinc/07/87/48/282078748.db2.gz YZNFXMQPHSWMLC-JTQLQIEISA-N -1 0 300.355 -0.023 20 0 DBADRM CSc1nc(=NC(=O)NCCc2nc(N)no2)s[n-]1 ZINC000356741364 412498918 /nfs/dbraw/zinc/49/89/18/412498918.db2.gz RLUJDIHKSHJBTD-UHFFFAOYSA-N -1 0 301.357 0.011 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1=O ZINC000420543239 529819584 /nfs/dbraw/zinc/81/95/84/529819584.db2.gz DGXRPEVOCILHBT-NSHDSACASA-N -1 0 319.317 -0.652 20 0 DBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2c(C)onc2N)C1 ZINC000517233746 412507311 /nfs/dbraw/zinc/50/73/11/412507311.db2.gz ACVZDKMBFWKMKO-JGVFFNPUSA-N -1 0 319.339 -0.182 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2c(C)onc2N)[C@](C)(C(=O)[O-])C1 ZINC000629308860 412507964 /nfs/dbraw/zinc/50/79/64/412507964.db2.gz XDLHDWXELYUNTB-CPCISQLKSA-N -1 0 319.339 -0.182 20 0 DBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2c(C)onc2N)C1 ZINC000517233745 412508759 /nfs/dbraw/zinc/50/87/59/412508759.db2.gz ACVZDKMBFWKMKO-HTQZYQBOSA-N -1 0 319.339 -0.182 20 0 DBADRM CO[C@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2c(C)onc2N)C1 ZINC000517233748 412509873 /nfs/dbraw/zinc/50/98/73/412509873.db2.gz ACVZDKMBFWKMKO-YUMQZZPRSA-N -1 0 319.339 -0.182 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000565233587 412525870 /nfs/dbraw/zinc/52/58/70/412525870.db2.gz VUIRICJRBXRDIE-JGVFFNPUSA-N -1 0 319.339 -0.589 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCC(=O)NC1 ZINC000408475992 412527351 /nfs/dbraw/zinc/52/73/51/412527351.db2.gz IUDRDWPUOMUZRE-NSHDSACASA-N -1 0 316.339 -0.714 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@]12CCOC2 ZINC000408478737 412527523 /nfs/dbraw/zinc/52/75/23/412527523.db2.gz RXBSFSMAVHJFDU-RDDDGLTNSA-N -1 0 301.324 -0.203 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000408478738 412528245 /nfs/dbraw/zinc/52/82/45/412528245.db2.gz RXBSFSMAVHJFDU-WRWORJQWSA-N -1 0 301.324 -0.203 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000515379684 412527751 /nfs/dbraw/zinc/52/77/51/412527751.db2.gz LROPFZHHYCZMKY-SSDOTTSWSA-N -1 0 305.312 -0.571 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000566311742 412530625 /nfs/dbraw/zinc/53/06/25/412530625.db2.gz HUHUZLCFYRKPSO-ZETCQYMHSA-N -1 0 315.311 -0.597 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000580311752 412536896 /nfs/dbraw/zinc/53/68/96/412536896.db2.gz PQXHWJDJDKGKSB-SECBINFHSA-N -1 0 318.337 -0.201 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000372310626 291008775 /nfs/dbraw/zinc/00/87/75/291008775.db2.gz VHVHDEUQHLBZJM-UHFFFAOYSA-N -1 0 322.383 -0.087 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000249994599 291009319 /nfs/dbraw/zinc/00/93/19/291009319.db2.gz PDCFXXKLQLNNAJ-VIFPVBQESA-N -1 0 308.356 -0.335 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1)C(=O)[O-] ZINC000424503153 295875416 /nfs/dbraw/zinc/87/54/16/295875416.db2.gz HPBWKNKCFMSEJL-WDEREUQCSA-N -1 0 323.353 -0.379 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000420590162 304048951 /nfs/dbraw/zinc/04/89/51/304048951.db2.gz JTNBOQVENMJHTC-ZJUUUORDSA-N -1 0 311.338 -0.763 20 0 DBADRM O=C([O-])CCCNC(=O)CSCC(=O)N1CCOCC1 ZINC000037434244 304049489 /nfs/dbraw/zinc/04/94/89/304049489.db2.gz OXGNCOULLJAGNN-UHFFFAOYSA-N -1 0 304.368 -0.441 20 0 DBADRM COCCOCCC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000276623167 138096425 /nfs/dbraw/zinc/09/64/25/138096425.db2.gz OKOAIKVADKYQMR-UHFFFAOYSA-N -1 0 307.310 -0.053 20 0 DBADRM COCCN(CCOC)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000284096699 138096970 /nfs/dbraw/zinc/09/69/70/138096970.db2.gz VXQCIJVXJABBFG-LLVKDONJSA-N -1 0 314.342 -0.290 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)[N-]CC(F)(F)F ZINC000341955514 138116964 /nfs/dbraw/zinc/11/69/64/138116964.db2.gz CAZJJUNDGOHZHT-PHDIDXHHSA-N -1 0 310.319 -0.594 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CN2CCCC2=O)s1 ZINC000340951835 138103006 /nfs/dbraw/zinc/10/30/06/138103006.db2.gz HPAVVXPUTCNSNF-UHFFFAOYSA-N -1 0 319.368 -0.530 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N[C@@H](CCC)c1nnn[n-]1 ZINC000341407315 138108551 /nfs/dbraw/zinc/10/85/51/138108551.db2.gz PNIJILKRKDEWIL-VIFPVBQESA-N -1 0 318.403 -0.123 20 0 DBADRM Cc1cc(C(=O)N(C)[C@H]2COC[C@@H]2O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000342308822 138122950 /nfs/dbraw/zinc/12/29/50/138122950.db2.gz HFZWWEJAHXFZEX-IUCAKERBSA-N -1 0 320.305 -0.424 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@H]2CCc3cnn(C)c3C2)n[nH]1 ZINC000342722694 138126672 /nfs/dbraw/zinc/12/66/72/138126672.db2.gz OQUXGGHPBXTYCT-QMMMGPOBSA-N -1 0 318.337 -0.003 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@@H]2CCc3cnn(C)c3C2)n[nH]1 ZINC000342722690 138126679 /nfs/dbraw/zinc/12/66/79/138126679.db2.gz OQUXGGHPBXTYCT-MRVPVSSYSA-N -1 0 318.337 -0.003 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)[N-]CC(F)(F)CO)CC1 ZINC000342031044 138118427 /nfs/dbraw/zinc/11/84/27/138118427.db2.gz XIDJTJSELBRYSF-UHFFFAOYSA-N -1 0 301.311 -0.123 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)[C@@H]1COCCN1CC(F)F ZINC000356785270 138144819 /nfs/dbraw/zinc/14/48/19/138144819.db2.gz UUSWJDJLWRMJPD-ZETCQYMHSA-N -1 0 302.285 -0.729 20 0 DBADRM O=C(CNS(=O)(=O)c1ccccc1)NCc1n[nH]c(=O)[n-]1 ZINC000354928854 138137540 /nfs/dbraw/zinc/13/75/40/138137540.db2.gz YQHJKYVBXNHTMG-UHFFFAOYSA-N -1 0 311.323 -0.895 20 0 DBADRM Cc1c[nH]cc(C(=O)N=c2[n-]c(CS(C)(=O)=O)no2)c1=O ZINC000358533485 138150545 /nfs/dbraw/zinc/15/05/45/138150545.db2.gz WKGGRACKXFXTMW-UHFFFAOYSA-N -1 0 312.307 -0.715 20 0 DBADRM CO[N-]C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000368700931 138154096 /nfs/dbraw/zinc/15/40/96/138154096.db2.gz CPENFDZEKGTNIY-KOLCDFICSA-N -1 0 318.326 -0.373 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)CC1=O ZINC000370217990 138156295 /nfs/dbraw/zinc/15/62/95/138156295.db2.gz BNOQXFFEWXODOQ-MRTMQBJTSA-N -1 0 306.322 -0.775 20 0 DBADRM COc1ccc(C(=O)NCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000372902648 138170235 /nfs/dbraw/zinc/17/02/35/138170235.db2.gz IUZLXXVYXOJRTC-GFCCVEGCSA-N -1 0 322.317 -0.263 20 0 DBADRM CNc1nc(C)cc(C(=O)N=c2[n-]ncn2-c2cccnc2)n1 ZINC000377163841 138191731 /nfs/dbraw/zinc/19/17/31/138191731.db2.gz SWTGYVMKBZNYAM-UHFFFAOYSA-N -1 0 310.321 -0.101 20 0 DBADRM Cn1nnc2c1nccc2C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000408029720 138203386 /nfs/dbraw/zinc/20/33/86/138203386.db2.gz YBYJFXRDQHIQAV-ZETCQYMHSA-N -1 0 311.323 -0.788 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000408136307 138208030 /nfs/dbraw/zinc/20/80/30/138208030.db2.gz CURACIOLUZSILK-VIFPVBQESA-N -1 0 302.356 -0.216 20 0 DBADRM O=C(CN1CCCCC1=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408134308 138208267 /nfs/dbraw/zinc/20/82/67/138208267.db2.gz SVSNHQWSXSQQGO-SNVBAGLBSA-N -1 0 304.368 -0.376 20 0 DBADRM O=C(CN1CCCCC1=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000408130837 138208384 /nfs/dbraw/zinc/20/83/84/138208384.db2.gz FLJGQGJSUMENBU-SNVBAGLBSA-N -1 0 304.368 -0.376 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)nc1C ZINC000408262874 138212561 /nfs/dbraw/zinc/21/25/61/138212561.db2.gz OHFYKMZDWMTGCB-SECBINFHSA-N -1 0 303.340 -0.568 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)CC1=O ZINC000408406599 138218073 /nfs/dbraw/zinc/21/80/73/138218073.db2.gz VECMVEIQOMKWNX-ZJUUUORDSA-N -1 0 304.368 -0.520 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000408407381 138218122 /nfs/dbraw/zinc/21/81/22/138218122.db2.gz XBNWABNWPWBVMP-SNVBAGLBSA-N -1 0 322.365 -0.137 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000408456626 138219535 /nfs/dbraw/zinc/21/95/35/138219535.db2.gz JZXQAYZOAHOBKO-QWRGUYRKSA-N -1 0 306.384 -0.668 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)CC2 ZINC000408476721 138220150 /nfs/dbraw/zinc/22/01/50/138220150.db2.gz BZUDXXKPRTXECQ-ONGXEEELSA-N -1 0 313.379 -0.240 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000408478219 138220247 /nfs/dbraw/zinc/22/02/47/138220247.db2.gz IPUDMJRMMMRKOO-BDAKNGLRSA-N -1 0 314.367 -0.483 20 0 DBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000408484942 138220382 /nfs/dbraw/zinc/22/03/82/138220382.db2.gz OTTCPJMTYLFVTC-NSHDSACASA-N -1 0 306.384 -0.666 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)nnn1C ZINC000408489263 138220390 /nfs/dbraw/zinc/22/03/90/138220390.db2.gz QZWCIXNCMLIIKD-VIFPVBQESA-N -1 0 302.356 -0.248 20 0 DBADRM O=C([N-]S(=O)(=O)CC(F)(F)F)[C@H]1CCCCS1(=O)=O ZINC000408481787 138220416 /nfs/dbraw/zinc/22/04/16/138220416.db2.gz SBWGSEJQDYSMKE-ZCFIWIBFSA-N -1 0 323.314 -0.038 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000408478222 138220449 /nfs/dbraw/zinc/22/04/49/138220449.db2.gz IPUDMJRMMMRKOO-RKDXNWHRSA-N -1 0 314.367 -0.483 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)CC(F)(F)F)CC1=O ZINC000408482809 138220467 /nfs/dbraw/zinc/22/04/67/138220467.db2.gz ANBACVIEEAHDQW-ZCFIWIBFSA-N -1 0 302.274 -0.137 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)CC1=O ZINC000408502908 138220508 /nfs/dbraw/zinc/22/05/08/138220508.db2.gz RNUHRAWQWBIRPE-MNOVXSKESA-N -1 0 318.395 -0.130 20 0 DBADRM CCOc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cn1 ZINC000274961011 535398663 /nfs/dbraw/zinc/39/86/63/535398663.db2.gz VAXCAFSOONHKFI-MRVPVSSYSA-N -1 0 317.323 -0.913 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)CCN1CCCS1(=O)=O ZINC000263235779 304084732 /nfs/dbraw/zinc/08/47/32/304084732.db2.gz BPMVXVCQIOVFQT-JTQLQIEISA-N -1 0 320.367 -0.886 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)[C@H]1CCCCS1(=O)=O ZINC000167971250 304084879 /nfs/dbraw/zinc/08/48/79/304084879.db2.gz MRUQRQZCGSPNNV-VHSXEESVSA-N -1 0 305.352 -0.344 20 0 DBADRM Cc1ccc(-n2[n-]nnc2=NC[C@H](O)Cn2ccnn2)cc1 ZINC000413446944 237198417 /nfs/dbraw/zinc/19/84/17/237198417.db2.gz ZIRSFTPUNLCLAE-LBPRGKRZSA-N -1 0 300.326 -0.543 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000035099269 283542954 /nfs/dbraw/zinc/54/29/54/283542954.db2.gz KJSVWSCIOURZDH-VIFPVBQESA-N -1 0 322.364 -0.525 20 0 DBADRM NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC000049463502 283547935 /nfs/dbraw/zinc/54/79/35/283547935.db2.gz CMZFGKXQLZWNEP-UHFFFAOYSA-N -1 0 316.364 -0.001 20 0 DBADRM Cc1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1-n1cnnn1 ZINC000128695491 283568334 /nfs/dbraw/zinc/56/83/34/283568334.db2.gz NBWVDXFTJWZMDH-UHFFFAOYSA-N -1 0 315.297 -0.296 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000133312552 283573586 /nfs/dbraw/zinc/57/35/86/283573586.db2.gz NCUCARZJQYGVLC-UTLUCORTSA-N -1 0 322.383 -0.043 20 0 DBADRM C[C@](NC(=O)Cn1nc2ccccn2c1=O)(C(=O)[O-])C1CC1 ZINC000237445900 283584387 /nfs/dbraw/zinc/58/43/87/283584387.db2.gz DFNQSFLPTYLRHS-CQSZACIVSA-N -1 0 304.306 -0.135 20 0 DBADRM CC(C)(C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC000262471996 283597410 /nfs/dbraw/zinc/59/74/10/283597410.db2.gz WZQWBSPYGVFHOP-TVQRCGJNSA-N -1 0 319.379 -0.241 20 0 DBADRM CC(C)(NC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000400200414 283609667 /nfs/dbraw/zinc/60/96/67/283609667.db2.gz QVMUMLKTORXRLW-UHFFFAOYSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@H](Oc1cccc(CO)c1)C(=O)NCCc1nc(=O)o[n-]1 ZINC000447637084 238330728 /nfs/dbraw/zinc/33/07/28/238330728.db2.gz QHZNCMPLRZTYGJ-VIFPVBQESA-N -1 0 307.306 -0.019 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000450514552 238358963 /nfs/dbraw/zinc/35/89/63/238358963.db2.gz ZVXCOPSVULHMKS-UHFFFAOYSA-N -1 0 300.336 -0.108 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000450495087 238359079 /nfs/dbraw/zinc/35/90/79/238359079.db2.gz RMUROBFGBHTSPE-UHFFFAOYSA-N -1 0 314.363 -0.065 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000533188819 283631915 /nfs/dbraw/zinc/63/19/15/283631915.db2.gz VCZWMCRBGDILIE-JTQLQIEISA-N -1 0 304.368 -0.265 20 0 DBADRM CN(C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H]1CCNC1=O ZINC000535558228 283653085 /nfs/dbraw/zinc/65/30/85/283653085.db2.gz KFLATTFLRXULLE-SNVBAGLBSA-N -1 0 302.290 -0.010 20 0 DBADRM CCn1cncc1S(=O)(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000541006691 283687857 /nfs/dbraw/zinc/68/78/57/283687857.db2.gz SZJCTAIPMIPRKQ-BDAKNGLRSA-N -1 0 303.340 -0.234 20 0 DBADRM CN(C[C@H]1CCOC1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000399641587 541320993 /nfs/dbraw/zinc/32/09/93/541320993.db2.gz XSURUIFMQLDCDZ-GHMZBOCLSA-N -1 0 306.384 -0.004 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC000547438374 283738907 /nfs/dbraw/zinc/73/89/07/283738907.db2.gz QAUYMNCEQVSSQP-BONVTDFDSA-N -1 0 306.318 -0.009 20 0 DBADRM COC[C@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-] ZINC000547561906 283745034 /nfs/dbraw/zinc/74/50/34/283745034.db2.gz XFNOSYWDTJXOIW-QMMMGPOBSA-N -1 0 309.340 -0.651 20 0 DBADRM Cn1cc(C[C@@H](CNS(=O)(=O)CC2CC2)C(=O)[O-])cn1 ZINC000547568736 283745036 /nfs/dbraw/zinc/74/50/36/283745036.db2.gz NSNIPNQUOPGZRU-NSHDSACASA-N -1 0 301.368 -0.007 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000547587267 283746024 /nfs/dbraw/zinc/74/60/24/283746024.db2.gz DOSVUMGLMHFLGV-RKDXNWHRSA-N -1 0 306.340 -0.655 20 0 DBADRM COCCS(=O)(=O)NC[C@H](Cc1ccccn1)C(=O)[O-] ZINC000547548753 283743266 /nfs/dbraw/zinc/74/32/66/283743266.db2.gz QRGHJBACQCOQBY-JTQLQIEISA-N -1 0 302.352 -0.109 20 0 DBADRM COCCOCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547555237 283743563 /nfs/dbraw/zinc/74/35/63/283743563.db2.gz HNEOFHIMNWFQDF-NXEZZACHSA-N -1 0 311.356 -0.942 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)CC3CC3)C2)C1 ZINC000547599047 283746489 /nfs/dbraw/zinc/74/64/89/283746489.db2.gz XMGLIQCBXKHSCJ-QWRGUYRKSA-N -1 0 316.379 -0.266 20 0 DBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)CCC1CC1 ZINC000547597673 283746555 /nfs/dbraw/zinc/74/65/55/283746555.db2.gz QTKPFJVXJPDVIO-ZJUUUORDSA-N -1 0 304.368 -0.233 20 0 DBADRM CC1CCN(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])CC1 ZINC000547605300 283746645 /nfs/dbraw/zinc/74/66/45/283746645.db2.gz FXVIBDLRNKHIJZ-GIGQVBGESA-N -1 0 324.424 -0.519 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000547608571 283747233 /nfs/dbraw/zinc/74/72/33/283747233.db2.gz DXPDSEZTTPAJHX-KCJUWKMLSA-N -1 0 317.367 -0.278 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000547900492 283757691 /nfs/dbraw/zinc/75/76/91/283757691.db2.gz RJOQLMYXRQCXHO-DCAQKATOSA-N -1 0 306.384 -0.222 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000547903097 283757789 /nfs/dbraw/zinc/75/77/89/283757789.db2.gz RRAZBFGMMQDMBS-SSDOTTSWSA-N -1 0 312.369 -0.814 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)OC)co1 ZINC000547916014 283758301 /nfs/dbraw/zinc/75/83/01/283758301.db2.gz MGWLAHNSTDWIIV-MRVPVSSYSA-N -1 0 321.307 -0.214 20 0 DBADRM O=C([O-])[C@@H]1CSCN1S(=O)(=O)c1cnc2n1CCC2 ZINC000547906391 283758349 /nfs/dbraw/zinc/75/83/49/283758349.db2.gz OJBBVLAZKSQENY-ZETCQYMHSA-N -1 0 303.365 -0.023 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000547924266 283759246 /nfs/dbraw/zinc/75/92/46/283759246.db2.gz VTXCQORDMXTIRE-BBBLOLIVSA-N -1 0 319.383 -0.634 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000547925188 283759288 /nfs/dbraw/zinc/75/92/88/283759288.db2.gz ROJWKDUZUBUDRQ-DJLDLDEBSA-N -1 0 308.356 -0.998 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000547873062 283755230 /nfs/dbraw/zinc/75/52/30/283755230.db2.gz QXYXYTSWMMHFTA-SECBINFHSA-N -1 0 307.372 -0.729 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)COC2)C(=O)[O-] ZINC000547876436 283755782 /nfs/dbraw/zinc/75/57/82/283755782.db2.gz AXECOSUTNOLSQU-JTQLQIEISA-N -1 0 314.319 -0.676 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547881377 283756388 /nfs/dbraw/zinc/75/63/88/283756388.db2.gz IZTIOHYLBJIDTH-GXSJLCMTSA-N -1 0 323.367 -0.261 20 0 DBADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000547887532 283756821 /nfs/dbraw/zinc/75/68/21/283756821.db2.gz USUUFJMZKFKYRG-VIFPVBQESA-N -1 0 305.356 -0.195 20 0 DBADRM Cn1cc(C[C@@H](NS(=O)(=O)N2CCCC2)C(=O)[O-])cn1 ZINC000547886425 283757132 /nfs/dbraw/zinc/75/71/32/283757132.db2.gz AUPBUJVLYUXMDP-SNVBAGLBSA-N -1 0 302.356 -0.654 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000547928684 283759787 /nfs/dbraw/zinc/75/97/87/283759787.db2.gz PSRLNOIZXXKKFT-OVWNDWIMSA-N -1 0 324.424 -0.519 20 0 DBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)CCC(=O)[O-] ZINC000547932073 283760592 /nfs/dbraw/zinc/76/05/92/283760592.db2.gz VJZHOMMHIAJUCM-MRVPVSSYSA-N -1 0 316.401 -0.902 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-] ZINC000548199848 283769194 /nfs/dbraw/zinc/76/91/94/283769194.db2.gz MRPOOFOWZQGNTJ-ZETCQYMHSA-N -1 0 317.323 -0.733 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])cn1C ZINC000548203232 283769624 /nfs/dbraw/zinc/76/96/24/283769624.db2.gz QQNRYBOQRHITRK-UWVGGRQHSA-N -1 0 317.367 -0.113 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@H](CCC(=O)OC)C(=O)[O-] ZINC000548213722 283770730 /nfs/dbraw/zinc/77/07/30/283770730.db2.gz HENCIWPFCRZVMU-MRVPVSSYSA-N -1 0 319.339 -0.412 20 0 DBADRM CCc1ncc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])s1 ZINC000548233264 283771888 /nfs/dbraw/zinc/77/18/88/283771888.db2.gz MPKMUEFPYDJREI-RNFRBKRXSA-N -1 0 306.365 -0.086 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])C1 ZINC000548228517 283771917 /nfs/dbraw/zinc/77/19/17/283771917.db2.gz JYQHXTDNCCPKQS-ONGXEEELSA-N -1 0 316.383 -0.408 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])c1 ZINC000548357967 283776676 /nfs/dbraw/zinc/77/66/76/283776676.db2.gz NMBBNVSPKUGWIA-GFCCVEGCSA-N -1 0 317.367 -0.276 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000548260507 283773246 /nfs/dbraw/zinc/77/32/46/283773246.db2.gz FRIVSGQFANFSBO-VHSXEESVSA-N -1 0 319.383 -0.071 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H](C)CCC(=O)[O-])cn1 ZINC000548265307 283773489 /nfs/dbraw/zinc/77/34/89/283773489.db2.gz ZTMVSSBHQVJLKQ-MRVPVSSYSA-N -1 0 319.339 -0.412 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc2n1CCC2 ZINC000548563859 283784886 /nfs/dbraw/zinc/78/48/86/283784886.db2.gz LIHULVUORYSSMB-QMMMGPOBSA-N -1 0 303.340 -0.451 20 0 DBADRM O=C([O-])[C@]12CCC[C@@H]1CN(S(=O)(=O)N1CCOCC1)C2 ZINC000548573558 283785329 /nfs/dbraw/zinc/78/53/29/283785329.db2.gz CTFFQDPNMXZJKO-PWSUYJOCSA-N -1 0 304.368 -0.250 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC000548530945 283782653 /nfs/dbraw/zinc/78/26/53/283782653.db2.gz MRXQTLOSTDZJOX-VWYCJHECSA-N -1 0 306.384 -0.222 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)C[C@H]2CCOC2)C(=O)[O-])c1 ZINC000548531368 283783106 /nfs/dbraw/zinc/78/31/06/283783106.db2.gz XPEBUPQWCQRYQR-QWRGUYRKSA-N -1 0 317.367 -0.399 20 0 DBADRM Cn1cc(C[C@H](NS(=O)(=O)c2cccc(N)c2)C(=O)[O-])cn1 ZINC000548549174 283784245 /nfs/dbraw/zinc/78/42/45/283784245.db2.gz NUSCLWDDVYIKQO-LBPRGKRZSA-N -1 0 324.362 -0.024 20 0 DBADRM CCC(=O)C[C@@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)[O-] ZINC000548770365 283792440 /nfs/dbraw/zinc/79/24/40/283792440.db2.gz ZWHIUJNWQCNTLC-SECBINFHSA-N -1 0 303.340 -0.171 20 0 DBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCCCF ZINC000554431078 283933086 /nfs/dbraw/zinc/93/30/86/283933086.db2.gz YGEJPXUXLASDGQ-DTWKUNHWSA-N -1 0 310.347 -0.284 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)C[C@]12CCOC2 ZINC000555825346 283947522 /nfs/dbraw/zinc/94/75/22/283947522.db2.gz DZVDJPJQIMSUMH-MDZLAQPJSA-N -1 0 319.379 -0.224 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCOCC2)CCC1(F)F ZINC000556777572 283955780 /nfs/dbraw/zinc/95/57/80/283955780.db2.gz JPQSSQSIZAYGMA-QMMMGPOBSA-N -1 0 314.310 -0.395 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1c(C)cnn1C ZINC000556774836 283955872 /nfs/dbraw/zinc/95/58/72/283955872.db2.gz GFDOZAFYXNBOMW-UHFFFAOYSA-N -1 0 305.356 -0.160 20 0 DBADRM Cn1nnnc1-c1cccc(S(=O)(=O)NC2(C(=O)[O-])CC2)c1 ZINC000558588662 283975416 /nfs/dbraw/zinc/97/54/16/283975416.db2.gz AKOAUPKXFCICCG-UHFFFAOYSA-N -1 0 323.334 -0.227 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)c2cccc3c2OCO3)CCOC1 ZINC000558686728 283977350 /nfs/dbraw/zinc/97/73/50/283977350.db2.gz OGAXEIIMPVHKGW-LBPRGKRZSA-N -1 0 315.303 -0.063 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)c2cccc3c2OCO3)CCOC1 ZINC000558686727 283977592 /nfs/dbraw/zinc/97/75/92/283977592.db2.gz OGAXEIIMPVHKGW-GFCCVEGCSA-N -1 0 315.303 -0.063 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CS(=O)(=O)C1CCCC1 ZINC000262536440 304134583 /nfs/dbraw/zinc/13/45/83/304134583.db2.gz UHIIQLYMEGZGIW-JTQLQIEISA-N -1 0 305.352 -0.344 20 0 DBADRM Cc1nc(=N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)s[n-]1 ZINC000561430570 284001839 /nfs/dbraw/zinc/00/18/39/284001839.db2.gz DPHKYMXSZLQIMJ-SECBINFHSA-N -1 0 305.429 -0.049 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)C2COC2)C1=O ZINC000561174602 283997818 /nfs/dbraw/zinc/99/78/18/283997818.db2.gz ZPDVZYRPUVYTNE-ZJUUUORDSA-N -1 0 320.367 -0.985 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000562033298 284005291 /nfs/dbraw/zinc/00/52/91/284005291.db2.gz VDJWUCYSZFKADX-UHFFFAOYSA-N -1 0 310.397 -0.702 20 0 DBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000274960797 304136534 /nfs/dbraw/zinc/13/65/34/304136534.db2.gz BJFZVLCJAHNKRV-VIFPVBQESA-N -1 0 315.303 -0.111 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)[C@H]2CCOC2)C[C@]12CCOC2 ZINC000562425201 284010178 /nfs/dbraw/zinc/01/01/78/284010178.db2.gz ZHUMKVUGXGJYCT-NHCYSSNCSA-N -1 0 305.352 -0.472 20 0 DBADRM CCOCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000562449449 284011061 /nfs/dbraw/zinc/01/10/61/284011061.db2.gz GVKYETRBCJFBNF-ZYHUDNBSSA-N -1 0 307.368 -0.224 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000562385872 284009119 /nfs/dbraw/zinc/00/91/19/284009119.db2.gz DNVRQBYNGTZJHT-UHFFFAOYSA-N -1 0 317.371 -0.457 20 0 DBADRM Cn1cc(S(=O)(=O)NC2(CC(=O)[O-])CCOCC2)cn1 ZINC000563071874 284021659 /nfs/dbraw/zinc/02/16/59/284021659.db2.gz HUWAGYVKRXBWGR-UHFFFAOYSA-N -1 0 303.340 -0.278 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000563133579 284025429 /nfs/dbraw/zinc/02/54/29/284025429.db2.gz JQVUUBOYDLANEV-RKDXNWHRSA-N -1 0 322.321 -0.007 20 0 DBADRM C[C@H]1CCN(c2ccc(C(=O)NCCO)nn2)C[C@@H]1C(=O)[O-] ZINC000563131602 284025433 /nfs/dbraw/zinc/02/54/33/284025433.db2.gz MGXSGCDKRDKLTM-UWVGGRQHSA-N -1 0 308.338 -0.254 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1)C(=O)N(C)C ZINC000563133061 284025459 /nfs/dbraw/zinc/02/54/59/284025459.db2.gz ZSYQZADCSNSQPK-QMMMGPOBSA-N -1 0 307.306 -0.084 20 0 DBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)N2CCOCC2)C1 ZINC000563081259 284021779 /nfs/dbraw/zinc/02/17/79/284021779.db2.gz OQPDDAHXCVKLKT-VHSXEESVSA-N -1 0 308.356 -0.873 20 0 DBADRM COCc1ccc(OC)c(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1 ZINC000563433033 284038569 /nfs/dbraw/zinc/03/85/69/284038569.db2.gz VAHAGGSIZROJKP-SECBINFHSA-N -1 0 319.335 -0.435 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000563532168 284042263 /nfs/dbraw/zinc/04/22/63/284042263.db2.gz JJZKHSOTURTYPY-RKDXNWHRSA-N -1 0 307.372 -0.712 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CNc2ccccc2)CCS1(=O)=O ZINC000563728199 284048154 /nfs/dbraw/zinc/04/81/54/284048154.db2.gz CGFUGHSRPWWEBM-LLVKDONJSA-N -1 0 312.347 -0.191 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC000563881048 284051469 /nfs/dbraw/zinc/05/14/69/284051469.db2.gz BYZPKFBCAUQZPX-NSHDSACASA-N -1 0 303.340 -0.359 20 0 DBADRM COC[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)C(C)C ZINC000563802521 284049128 /nfs/dbraw/zinc/04/91/28/284049128.db2.gz DDHSOKZXUGFVEV-MXWKQRLJSA-N -1 0 300.355 -0.047 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000563805232 284049202 /nfs/dbraw/zinc/04/92/02/284049202.db2.gz DKIZDQNSZLXZEE-GFCCVEGCSA-N -1 0 322.383 -0.623 20 0 DBADRM C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C)C(=O)[O-] ZINC000563957029 284053001 /nfs/dbraw/zinc/05/30/01/284053001.db2.gz CVPIGZMFLIKJBY-ZETCQYMHSA-N -1 0 303.340 -0.522 20 0 DBADRM NS(=O)(=O)c1cnc(N2CCO[C@@H](CC(=O)[O-])C2)s1 ZINC000564089852 284054944 /nfs/dbraw/zinc/05/49/44/284054944.db2.gz JCNSDRJEEJHXDB-LURJTMIESA-N -1 0 307.353 -0.530 20 0 DBADRM CNC(=O)C1(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC000564572728 284062634 /nfs/dbraw/zinc/06/26/34/284062634.db2.gz UBHLFHROTWXJJE-SECBINFHSA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2COCCO2)cn1 ZINC000564656032 284064078 /nfs/dbraw/zinc/06/40/78/284064078.db2.gz XKGWLOQSNIIIDF-QMMMGPOBSA-N -1 0 302.308 -0.527 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000564801417 284067339 /nfs/dbraw/zinc/06/73/39/284067339.db2.gz FXVWJYZZSPRULS-DTWKUNHWSA-N -1 0 310.372 -0.703 20 0 DBADRM Cc1c(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)cnn1C ZINC000564921861 284071782 /nfs/dbraw/zinc/07/17/82/284071782.db2.gz SYIUSLWSSFWHKA-UHFFFAOYSA-N -1 0 317.367 -0.017 20 0 DBADRM O=C([O-])[C@@H](CF)NS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000564927034 284072557 /nfs/dbraw/zinc/07/25/57/284072557.db2.gz QASXBXOHLXIVJO-SNVBAGLBSA-N -1 0 321.330 -0.064 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)nn1 ZINC000565032436 284078526 /nfs/dbraw/zinc/07/85/26/284078526.db2.gz BEHAMNNTLJEILG-MNOVXSKESA-N -1 0 310.310 -0.617 20 0 DBADRM O=C([O-])COCCNC(=O)Cn1nnnc1-c1ccsc1 ZINC000565030109 284078533 /nfs/dbraw/zinc/07/85/33/284078533.db2.gz KIJIPDHTVPREHX-UHFFFAOYSA-N -1 0 311.323 -0.381 20 0 DBADRM COCC1(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)CC1 ZINC000565056286 284080001 /nfs/dbraw/zinc/08/00/01/284080001.db2.gz PAPKGGIIDYYHCS-PWSUYJOCSA-N -1 0 319.379 -0.082 20 0 DBADRM Cc1c([C@H](NS(=O)(=O)[C@H]2CCO[C@@H]2C)C(=O)[O-])cnn1C ZINC000565056562 284080066 /nfs/dbraw/zinc/08/00/66/284080066.db2.gz QVMDNICJYFEKAU-MIMYLULJSA-N -1 0 317.367 -0.049 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1CCN(C)C(=O)C1)C(=O)[O-] ZINC000565110623 284083001 /nfs/dbraw/zinc/08/30/01/284083001.db2.gz SFRVRDONCJQWAU-UHFFFAOYSA-N -1 0 313.354 -0.706 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(c2ncncc2C(=O)[O-])C1 ZINC000565037726 284079114 /nfs/dbraw/zinc/07/91/14/284079114.db2.gz AYSMUIBUZNOEHA-VIFPVBQESA-N -1 0 314.367 -0.060 20 0 DBADRM Cc1cccc(CNC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000565046403 284079582 /nfs/dbraw/zinc/07/95/82/284079582.db2.gz KPLLYMYLOMHQTR-UHFFFAOYSA-N -1 0 319.361 -0.160 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)C1(C(=O)[O-])CC1 ZINC000565048120 284079667 /nfs/dbraw/zinc/07/96/67/284079667.db2.gz SLUXYKRQMPNEFK-IUCAKERBSA-N -1 0 304.368 -0.315 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000565345175 284093181 /nfs/dbraw/zinc/09/31/81/284093181.db2.gz XAMUUBAWDUQVJC-SNVBAGLBSA-N -1 0 322.383 -0.640 20 0 DBADRM COC(=O)c1ccc(S(N)(=O)=O)c([N-]S(C)(=O)=O)c1 ZINC000565317608 284093189 /nfs/dbraw/zinc/09/31/89/284093189.db2.gz JRNRIXQAVREJBN-UHFFFAOYSA-N -1 0 308.337 -0.508 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)CCCC(=O)[O-] ZINC000565539092 284098511 /nfs/dbraw/zinc/09/85/11/284098511.db2.gz WEWZSRKWBRXULR-SECBINFHSA-N -1 0 315.413 -0.064 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)c2cnc(C(=O)[O-])cn2)CCO1 ZINC000565833230 284105574 /nfs/dbraw/zinc/10/55/74/284105574.db2.gz SQDXHZJQDJFBQS-MRVPVSSYSA-N -1 0 309.278 -0.421 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC000565654892 284101347 /nfs/dbraw/zinc/10/13/47/284101347.db2.gz OLOMRBKXRIZDMT-LLVKDONJSA-N -1 0 303.340 -0.061 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCOC[C@H]1C1CC1 ZINC000565714726 284102890 /nfs/dbraw/zinc/10/28/90/284102890.db2.gz WOYLZNYTIVADTP-MNOVXSKESA-N -1 0 304.368 -0.109 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)N1CCSCC1 ZINC000333583742 304153967 /nfs/dbraw/zinc/15/39/67/304153967.db2.gz OFRBAPAOJOGSRC-ZETCQYMHSA-N -1 0 313.339 -0.579 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000274807027 291515349 /nfs/dbraw/zinc/51/53/49/291515349.db2.gz POWIJVYLEODZRJ-WPRPVWTQSA-N -1 0 309.322 -0.100 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000013093952 181827762 /nfs/dbraw/zinc/82/77/62/181827762.db2.gz QTAUMBXFZAUGOG-UHFFFAOYSA-N -1 0 302.283 -0.356 20 0 DBADRM CCN(C1CCN(Cc2n[nH]c(=O)[n-]2)CC1)S(C)(=O)=O ZINC000092643034 284376484 /nfs/dbraw/zinc/37/64/84/284376484.db2.gz VYZFVZLRNKRHEE-UHFFFAOYSA-N -1 0 303.388 -0.244 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c(C)c1 ZINC000020301921 182204326 /nfs/dbraw/zinc/20/43/26/182204326.db2.gz LERHFUVWUQHBEB-VIFPVBQESA-N -1 0 300.336 -0.090 20 0 DBADRM Cc1ccc(C)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000020301914 182204471 /nfs/dbraw/zinc/20/44/71/182204471.db2.gz YEORGRFWFWTNOC-VIFPVBQESA-N -1 0 300.336 -0.090 20 0 DBADRM C[C@@]1(O)C[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000616339389 374250181 /nfs/dbraw/zinc/25/01/81/374250181.db2.gz ILBKFSIIHUXDNM-OGXFKERWSA-N -1 0 300.336 -0.317 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2C)c[nH]1 ZINC000530435115 374255122 /nfs/dbraw/zinc/25/51/22/374255122.db2.gz RZPZGDRWGVNCFO-SNVBAGLBSA-N -1 0 313.339 -0.136 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2C)c[nH]1 ZINC000530435114 374255789 /nfs/dbraw/zinc/25/57/89/374255789.db2.gz RZPZGDRWGVNCFO-JTQLQIEISA-N -1 0 313.339 -0.136 20 0 DBADRM Cc1nc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)no1 ZINC000231787777 374237252 /nfs/dbraw/zinc/23/72/52/374237252.db2.gz HBAYIEYINSRIMH-UHFFFAOYSA-N -1 0 304.328 -0.491 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CC[C@H](O)[C@@H](CO)C1 ZINC000616317393 374287374 /nfs/dbraw/zinc/28/73/74/374287374.db2.gz WCTIKGZYKNAPRQ-NEPJUHHUSA-N -1 0 319.317 -0.155 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)c2cc(=O)[nH]cn2)CC1 ZINC000624964279 374329407 /nfs/dbraw/zinc/32/94/07/374329407.db2.gz XIORPOXYKGJXMC-UHFFFAOYSA-N -1 0 314.367 -0.416 20 0 DBADRM CCOc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1 ZINC000036965409 374341759 /nfs/dbraw/zinc/34/17/59/374341759.db2.gz JNSPDOPIQOCXHY-JTQLQIEISA-N -1 0 316.335 -0.308 20 0 DBADRM CC(C)[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCOCC2)C1 ZINC000232788382 374363082 /nfs/dbraw/zinc/36/30/82/374363082.db2.gz ICXWGFPRGYPAOX-GFCCVEGCSA-N -1 0 306.384 -0.004 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)cn1 ZINC000627994240 374347469 /nfs/dbraw/zinc/34/74/69/374347469.db2.gz HAUCZDNIESWSMO-DTORHVGOSA-N -1 0 312.351 -0.553 20 0 DBADRM O=C(CCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1)N1CCOCC1 ZINC000533573388 374395235 /nfs/dbraw/zinc/39/52/35/374395235.db2.gz XTJYSMYCDHCWPP-LLVKDONJSA-N -1 0 322.369 -0.455 20 0 DBADRM COCCOCCNC(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000314817261 374400369 /nfs/dbraw/zinc/40/03/69/374400369.db2.gz XTKFZCLDKFXJBC-CYBMUJFWSA-N -1 0 304.343 -0.218 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634654989 374402364 /nfs/dbraw/zinc/40/23/64/374402364.db2.gz BDOIGZPITJBZIS-MXWKQRLJSA-N -1 0 304.368 -0.394 20 0 DBADRM C[C@H]1C[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCO1 ZINC000235724165 374403108 /nfs/dbraw/zinc/40/31/08/374403108.db2.gz VCKLAEQZNQJGJC-IUCAKERBSA-N -1 0 303.340 -0.187 20 0 DBADRM Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2nc(=O)[nH][n-]2)cc1 ZINC000119374422 374404020 /nfs/dbraw/zinc/40/40/20/374404020.db2.gz VAAPRDVBSKTMAR-SECBINFHSA-N -1 0 324.362 -0.001 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)C[C@H]1CCCO1)C(=O)[O-] ZINC000233690824 374379421 /nfs/dbraw/zinc/37/94/21/374379421.db2.gz ZPUIFFULESQJDJ-ZJUUUORDSA-N -1 0 323.367 -0.119 20 0 DBADRM C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc21 ZINC000116855993 374388783 /nfs/dbraw/zinc/38/87/83/374388783.db2.gz UTIDPQZUNRVCIL-QUBYGPBYSA-N -1 0 314.319 -0.534 20 0 DBADRM NS(=O)(=O)c1ccc(N2CCO[C@@H](CO)C2)c(C(=O)[O-])c1 ZINC000167210312 374432888 /nfs/dbraw/zinc/43/28/88/374432888.db2.gz WSKUVCOSFUDODI-MRVPVSSYSA-N -1 0 316.335 -0.770 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@](C)(O)C(F)(F)F ZINC000447773595 374410792 /nfs/dbraw/zinc/41/07/92/374410792.db2.gz UHKSACJWIASUAF-XPUUQOCRSA-N -1 0 306.306 -0.304 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000049606967 374413148 /nfs/dbraw/zinc/41/31/48/374413148.db2.gz DOOWFJXWJNKTJN-NXEZZACHSA-N -1 0 310.372 -0.627 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])nc1C ZINC000050265470 374423259 /nfs/dbraw/zinc/42/32/59/374423259.db2.gz PWWKBQZIQHKJPB-QMMMGPOBSA-N -1 0 318.355 -0.792 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000130004955 374430173 /nfs/dbraw/zinc/43/01/73/374430173.db2.gz HNNPTGPGNVYDJD-MRVPVSSYSA-N -1 0 321.380 -0.278 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)cn1C ZINC000130820566 374430298 /nfs/dbraw/zinc/43/02/98/374430298.db2.gz UEXLGPRYZQUDPS-SNVBAGLBSA-N -1 0 313.339 -0.434 20 0 DBADRM Cn1cc(CCNS(=O)(=O)c2cnn(CC(=O)[O-])c2)cn1 ZINC000148726830 374432263 /nfs/dbraw/zinc/43/22/63/374432263.db2.gz NRBUHXQTKANPKE-UHFFFAOYSA-N -1 0 313.339 -0.778 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000037417805 374481008 /nfs/dbraw/zinc/48/10/08/374481008.db2.gz VJQHPNUSKXJCRT-SSDOTTSWSA-N -1 0 307.349 -0.159 20 0 DBADRM O=C(CO)N1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1 ZINC000632180912 374484483 /nfs/dbraw/zinc/48/44/83/374484483.db2.gz PWJHQBJPBZTOHO-UHFFFAOYSA-N -1 0 318.326 -0.644 20 0 DBADRM Cn1cc(S(=O)(=O)NCCCCC(=O)[O-])cc1C(N)=O ZINC000070198330 374474772 /nfs/dbraw/zinc/47/47/72/374474772.db2.gz LVFCPZHVODYDFN-UHFFFAOYSA-N -1 0 303.340 -0.343 20 0 DBADRM CC(C)Cc1nc(=NC(=O)CN2CC(=O)N(C)C2=O)s[n-]1 ZINC000628083259 374523567 /nfs/dbraw/zinc/52/35/67/374523567.db2.gz WENCAWAIUKIYMN-UHFFFAOYSA-N -1 0 311.367 -0.009 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)NC2(c3nnn[n-]3)CCCC2)O1 ZINC000584096870 374553142 /nfs/dbraw/zinc/55/31/42/374553142.db2.gz BSBLBDXGXFFFIE-DTWKUNHWSA-N -1 0 309.326 -0.194 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000315305118 374561325 /nfs/dbraw/zinc/56/13/25/374561325.db2.gz KOHZDVNSAKZBFP-TVQRCGJNSA-N -1 0 301.343 -0.404 20 0 DBADRM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)[N-]CC(F)(F)CO ZINC000234611243 374581400 /nfs/dbraw/zinc/58/14/00/374581400.db2.gz JVLCSLGCQLWGFZ-HTQZYQBOSA-N -1 0 301.311 -0.125 20 0 DBADRM CS(=O)(=O)NC1CN(S(=O)(=O)c2ccccc2[O-])C1 ZINC000625434161 374629429 /nfs/dbraw/zinc/62/94/29/374629429.db2.gz GPWSUYJABJRIMQ-UHFFFAOYSA-N -1 0 306.365 -0.686 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@H]2CCO[C@H]2C)C1 ZINC000569100468 374638457 /nfs/dbraw/zinc/63/84/57/374638457.db2.gz JCGLNLIPDKMUMI-NHCYSSNCSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000584113516 374642703 /nfs/dbraw/zinc/64/27/03/374642703.db2.gz VFZCOJFZFYFUPT-BXKDBHETSA-N -1 0 322.317 -0.069 20 0 DBADRM O=C(NCCNC(=O)C1CC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000048168717 374620137 /nfs/dbraw/zinc/62/01/37/374620137.db2.gz YBZOJDSJIWQIHB-UHFFFAOYSA-N -1 0 317.305 -0.720 20 0 DBADRM Cc1ccccc1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000088715184 374623896 /nfs/dbraw/zinc/62/38/96/374623896.db2.gz XZNYSZZDCHVNGV-SECBINFHSA-N -1 0 300.336 -0.008 20 0 DBADRM C[C@H]1C(=O)Nc2ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc21 ZINC000090262597 374649818 /nfs/dbraw/zinc/64/98/18/374649818.db2.gz UTIDPQZUNRVCIL-LDWIPMOCSA-N -1 0 314.319 -0.534 20 0 DBADRM CCOC1(CS(=O)(=O)[N-][C@@H]2COCCC2=O)CCOCC1 ZINC000625491203 374658884 /nfs/dbraw/zinc/65/88/84/374658884.db2.gz ITANCPISVIGSJK-LLVKDONJSA-N -1 0 321.395 -0.151 20 0 DBADRM CCOC1(CS(=O)(=O)[N-][C@H]2COCCC2=O)CCOCC1 ZINC000625491208 374659438 /nfs/dbraw/zinc/65/94/38/374659438.db2.gz ITANCPISVIGSJK-NSHDSACASA-N -1 0 321.395 -0.151 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-] ZINC000090276914 374665071 /nfs/dbraw/zinc/66/50/71/374665071.db2.gz QTOIQGSNPCGIBE-CYBMUJFWSA-N -1 0 314.363 -0.285 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCCCn2cccn2)CC1 ZINC000126231322 374761558 /nfs/dbraw/zinc/76/15/58/374761558.db2.gz LJLMHZJNUYUNMJ-UHFFFAOYSA-N -1 0 316.383 -0.096 20 0 DBADRM CC(C)OCCS(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000093665251 374727793 /nfs/dbraw/zinc/72/77/93/374727793.db2.gz MCCHTHOGAAPQOG-SNVBAGLBSA-N -1 0 305.356 -0.250 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](CN2CCOC[C@@H]2C(=O)[O-])C1 ZINC000093698273 374729787 /nfs/dbraw/zinc/72/97/87/374729787.db2.gz DMALMJWKMHKOJB-GHMZBOCLSA-N -1 0 306.384 -0.557 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCCN2C(=O)CNC2=O)cn1 ZINC000605466054 374732922 /nfs/dbraw/zinc/73/29/22/374732922.db2.gz XJZSTAJMEMWKQM-UHFFFAOYSA-N -1 0 306.278 -0.549 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)c1 ZINC000566114552 374736354 /nfs/dbraw/zinc/73/63/54/374736354.db2.gz BXWOHPPHDUMXII-WPRPVWTQSA-N -1 0 303.340 -0.422 20 0 DBADRM Cn1ccc(N2CCC[C@H](NC(=O)c3cc(=O)[nH]cn3)C2=O)n1 ZINC000625859805 374742753 /nfs/dbraw/zinc/74/27/53/374742753.db2.gz CHDZGMVALVVBCD-VIFPVBQESA-N -1 0 316.321 -0.159 20 0 DBADRM CC(C)[C@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400106298 374807382 /nfs/dbraw/zinc/80/73/82/374807382.db2.gz DAXPKFALBJSGKH-UWVGGRQHSA-N -1 0 321.399 -0.181 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N(CC(=O)[O-])C2CC2)C1 ZINC000400098721 374808196 /nfs/dbraw/zinc/80/81/96/374808196.db2.gz ACSOMJKMXDXXST-VIFPVBQESA-N -1 0 319.383 -0.331 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)NCCCC(=O)[O-])C1 ZINC000400116105 374809818 /nfs/dbraw/zinc/80/98/18/374809818.db2.gz IKWKDKDVKNPKBW-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC000128971117 374772789 /nfs/dbraw/zinc/77/27/89/374772789.db2.gz KYZBIDJHKIPASO-MWLCHTKSSA-N -1 0 316.383 -0.028 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000129496145 374772913 /nfs/dbraw/zinc/77/29/13/374772913.db2.gz SEEIVQKFNPRTOW-VIFPVBQESA-N -1 0 309.340 -0.555 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccc(-n2cnnn2)cc1Cl ZINC000600505686 374789458 /nfs/dbraw/zinc/78/94/58/374789458.db2.gz QXABMNVGUHWIJO-UHFFFAOYSA-N -1 0 305.689 -0.241 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000600506341 374790672 /nfs/dbraw/zinc/79/06/72/374790672.db2.gz VUICUYOXPLQVJN-LLVKDONJSA-N -1 0 316.321 -0.757 20 0 DBADRM CC(=O)NCC(=O)N1CCc2cc(C(=O)NCC(=O)[O-])ccc21 ZINC000427331318 374867404 /nfs/dbraw/zinc/86/74/04/374867404.db2.gz PPLSXMMHDFPNGU-UHFFFAOYSA-N -1 0 319.317 -0.474 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400180059 374887970 /nfs/dbraw/zinc/88/79/70/374887970.db2.gz GSJKUMXETFQSGD-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N[C@@H](C(=O)[O-])C2CC2)C1 ZINC000400189919 374887979 /nfs/dbraw/zinc/88/79/79/374887979.db2.gz LENSMPUBETVNAP-DTWKUNHWSA-N -1 0 305.356 -0.817 20 0 DBADRM CC[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000400189900 374889031 /nfs/dbraw/zinc/88/90/31/374889031.db2.gz LDLXEMLSJWRMPY-VIFPVBQESA-N -1 0 307.372 -0.427 20 0 DBADRM C=CCC[C@@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400223226 374892812 /nfs/dbraw/zinc/89/28/12/374892812.db2.gz OJTDRSQKGRKQSN-VHSXEESVSA-N -1 0 319.383 -0.261 20 0 DBADRM CC(C)C[C@@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400215344 374893234 /nfs/dbraw/zinc/89/32/34/374893234.db2.gz GRJVXLVCZLBZSF-VHSXEESVSA-N -1 0 321.399 -0.181 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC000600657236 374836987 /nfs/dbraw/zinc/83/69/87/374836987.db2.gz GRNHSQSPGHNKKN-BXKDBHETSA-N -1 0 323.367 -0.167 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000600660535 374837299 /nfs/dbraw/zinc/83/72/99/374837299.db2.gz WRWWIHYYDXCCTM-ZETCQYMHSA-N -1 0 317.323 -0.597 20 0 DBADRM COC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)c1cnnn1C ZINC000600669030 374838847 /nfs/dbraw/zinc/83/88/47/374838847.db2.gz TXOUFQAJWQGZJF-UHFFFAOYSA-N -1 0 314.327 -0.556 20 0 DBADRM COC(=O)c1nscc1[N-]S(=O)(=O)c1cnnn1C ZINC000600650394 374838970 /nfs/dbraw/zinc/83/89/70/374838970.db2.gz JTOIPJLMWSVUBZ-UHFFFAOYSA-N -1 0 303.325 -0.141 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CCC[C@@]1(C)C(=O)[O-] ZINC000600700349 374842408 /nfs/dbraw/zinc/84/24/08/374842408.db2.gz CDFXESMEYMHZHR-RNCFNFMXSA-N -1 0 301.343 -0.214 20 0 DBADRM CCOC(=O)[C@H]1c2ccoc2CCN1CC(=O)NCC(=O)[O-] ZINC000600702681 374842509 /nfs/dbraw/zinc/84/25/09/374842509.db2.gz OUNIMXOYNQAQDX-CYBMUJFWSA-N -1 0 310.306 -0.057 20 0 DBADRM CC(C)(NC(=O)CNC(=O)c1cccc(O)c1)c1nnn[n-]1 ZINC000427252739 374858283 /nfs/dbraw/zinc/85/82/83/374858283.db2.gz IKMYALJEBBKKOQ-UHFFFAOYSA-N -1 0 304.310 -0.313 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)nn1C ZINC000625954193 374946723 /nfs/dbraw/zinc/94/67/23/374946723.db2.gz BZTQGTSSBBBYQU-BDAKNGLRSA-N -1 0 324.337 -0.064 20 0 DBADRM CN(C(=O)C(=O)Nc1cccnc1C(=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000625959781 374949019 /nfs/dbraw/zinc/94/90/19/374949019.db2.gz WHRYEEIOZZCYHK-OCAPTIKFSA-N -1 0 320.305 -0.559 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cncc(N2CCCC2=O)c1 ZINC000625973354 374955664 /nfs/dbraw/zinc/95/56/64/374955664.db2.gz BGEQVCIYLGTURP-UHFFFAOYSA-N -1 0 302.294 -0.038 20 0 DBADRM CCS(=O)(=O)NC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 ZINC000376368490 375022723 /nfs/dbraw/zinc/02/27/23/375022723.db2.gz SZTMIUKZEBCVDJ-UHFFFAOYSA-N -1 0 307.372 -0.600 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCC(=O)[O-] ZINC000262188692 375024653 /nfs/dbraw/zinc/02/46/53/375024653.db2.gz GNFBHAARHUAPAD-SSDOTTSWSA-N -1 0 319.339 -0.451 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])C1 ZINC000634893158 375070501 /nfs/dbraw/zinc/07/05/01/375070501.db2.gz GUHFLNYHWRHDNK-RYUDHWBXSA-N -1 0 310.350 -0.031 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CCC[C@@H]2C(=O)[O-])CCN1S(C)(=O)=O ZINC000634910531 375072074 /nfs/dbraw/zinc/07/20/74/375072074.db2.gz DIOFIGZGVINMNG-DCAQKATOSA-N -1 0 318.395 -0.020 20 0 DBADRM CN(CC(=O)NCCCC(=O)[O-])S(=O)(=O)c1cccnc1 ZINC000262704725 375073360 /nfs/dbraw/zinc/07/33/60/375073360.db2.gz ANMYFBPXBVKPFX-UHFFFAOYSA-N -1 0 315.351 -0.317 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000634922830 375075760 /nfs/dbraw/zinc/07/57/60/375075760.db2.gz LTDGLWSHJAPEGV-GHMZBOCLSA-N -1 0 318.395 -0.019 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)CCN1S(C)(=O)=O ZINC000634929947 375079443 /nfs/dbraw/zinc/07/94/43/375079443.db2.gz VPKDHFCLBVDFGW-UTLUCORTSA-N -1 0 318.395 -0.165 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000262711568 375080946 /nfs/dbraw/zinc/08/09/46/375080946.db2.gz PTTRZJJNABOTAD-SCZZXKLOSA-N -1 0 300.336 -0.134 20 0 DBADRM O=C([O-])C[C@H]1CN(c2cc(N3CCOCC3)ncn2)CCO1 ZINC000566621623 375089325 /nfs/dbraw/zinc/08/93/25/375089325.db2.gz IIEDKNJQSJGSHH-NSHDSACASA-N -1 0 308.338 -0.007 20 0 DBADRM CC(C)[C@@H](CNC(=O)CCCc1nnn[n-]1)N1CCOCC1 ZINC000635174438 375100304 /nfs/dbraw/zinc/10/03/04/375100304.db2.gz KHYPCYVSPXXJOU-GFCCVEGCSA-N -1 0 310.402 -0.005 20 0 DBADRM CCNC(=O)N1CCN(C(=O)[C@H](C)O[C@@H](C)C(=O)[O-])CC1 ZINC000634855266 375061825 /nfs/dbraw/zinc/06/18/25/375061825.db2.gz DBWBBXQOLFDKOW-UWVGGRQHSA-N -1 0 301.343 -0.262 20 0 DBADRM CC[C@](C)(CC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000634894091 375069492 /nfs/dbraw/zinc/06/94/92/375069492.db2.gz KMADENCTTAMCLD-GFCCVEGCSA-N -1 0 306.384 -0.019 20 0 DBADRM CC[C@@H](CNS(=O)(=O)c1cc(C(N)=O)n(C)c1)CC(=O)[O-] ZINC000147382369 375128463 /nfs/dbraw/zinc/12/84/63/375128463.db2.gz FYVGJESRWBBSAO-MRVPVSSYSA-N -1 0 317.367 -0.097 20 0 DBADRM CC(C)[C@@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)[O-] ZINC000428009520 375130158 /nfs/dbraw/zinc/13/01/58/375130158.db2.gz IDWSRYXDMGZBJF-ZYTOWTHASA-N -1 0 311.338 -0.020 20 0 DBADRM Cn1cc(CN2CCN(C(=O)CCCc3nnn[n-]3)CC2)cn1 ZINC000635515948 375138155 /nfs/dbraw/zinc/13/81/55/375138155.db2.gz YUTISIVBSHISHZ-UHFFFAOYSA-N -1 0 318.385 -0.400 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC000635520407 375138216 /nfs/dbraw/zinc/13/82/16/375138216.db2.gz BIVCQWXIYKXFQJ-UHFFFAOYSA-N -1 0 301.343 -0.403 20 0 DBADRM C[C@@H]1OCC[C@]12CN(C(=O)NCCOCC(=O)[O-])CCO2 ZINC000635525491 375140349 /nfs/dbraw/zinc/14/03/49/375140349.db2.gz ZCVDYWFGHYMYBC-GWCFXTLKSA-N -1 0 302.327 -0.323 20 0 DBADRM CC[C@@H]1C(=O)N(CC)CCN1C(=O)NCCOCC(=O)[O-] ZINC000635524850 375140404 /nfs/dbraw/zinc/14/04/04/375140404.db2.gz RDKRYVICBCCEIA-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262793091 375148347 /nfs/dbraw/zinc/14/83/47/375148347.db2.gz QBCXFMHMXJGBNM-SECBINFHSA-N -1 0 307.368 -0.098 20 0 DBADRM Nn1c(SCc2n[nH]c(=O)[n-]2)nnc1-c1n[nH]c2c1CCC2 ZINC000091588576 375172428 /nfs/dbraw/zinc/17/24/28/375172428.db2.gz NCWKTYQNBFNGRY-UHFFFAOYSA-N -1 0 319.354 -0.426 20 0 DBADRM O=C([O-])Cn1cc(CNC(=O)[C@H]2COc3ccccc3O2)nn1 ZINC000261857842 375120776 /nfs/dbraw/zinc/12/07/76/375120776.db2.gz KDBYTXOUORGECU-GFCCVEGCSA-N -1 0 318.289 -0.181 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000400173273 375122658 /nfs/dbraw/zinc/12/26/58/375122658.db2.gz CBDWFKCQMVWVHN-MRVPVSSYSA-N -1 0 307.372 -0.475 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1[C@@H]2COC[C@@H]21 ZINC000360364178 375317834 /nfs/dbraw/zinc/31/78/34/375317834.db2.gz TVDHXOZHGYGEBE-ZMONIFLSSA-N -1 0 304.349 -0.147 20 0 DBADRM COCCNC(=O)CNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000159695143 375321807 /nfs/dbraw/zinc/32/18/07/375321807.db2.gz YHPFTMDYYKTVSF-UHFFFAOYSA-N -1 0 322.364 -0.513 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])cn1C ZINC000291023175 375324371 /nfs/dbraw/zinc/32/43/71/375324371.db2.gz WIRWLRIAGSMJFX-QMMMGPOBSA-N -1 0 301.324 -0.768 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000570089247 375334741 /nfs/dbraw/zinc/33/47/41/375334741.db2.gz ZKKPRUVEYAPTFL-DTWKUNHWSA-N -1 0 313.397 -0.406 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CC2)c(C)o1 ZINC000262853126 375342733 /nfs/dbraw/zinc/34/27/33/375342733.db2.gz CCRIVINYGFRXKJ-UHFFFAOYSA-N -1 0 302.308 -0.157 20 0 DBADRM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c[nH]cn2)cc1 ZINC000570269535 375348054 /nfs/dbraw/zinc/34/80/54/375348054.db2.gz ONRQXGHRKFNZBU-UHFFFAOYSA-N -1 0 302.337 -0.142 20 0 DBADRM CNC(=O)c1ccc(CS(=O)(=O)NCCC(=O)[O-])cc1 ZINC000570284496 375348214 /nfs/dbraw/zinc/34/82/14/375348214.db2.gz ISJCKLINOILIJF-UHFFFAOYSA-N -1 0 300.336 -0.060 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000570284103 375348519 /nfs/dbraw/zinc/34/85/19/375348519.db2.gz BBEZKXYAVQYDDW-KXUCPTDWSA-N -1 0 306.384 -0.022 20 0 DBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2ccn(C)n2)C1 ZINC000570276142 375349181 /nfs/dbraw/zinc/34/91/81/375349181.db2.gz CVTWCMLLZAYUHN-DTWKUNHWSA-N -1 0 303.340 -0.327 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-] ZINC000570394610 375358849 /nfs/dbraw/zinc/35/88/49/375358849.db2.gz GCTSHZKZMNXKLG-LLVKDONJSA-N -1 0 304.324 -0.142 20 0 DBADRM CO[C@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2ccnn2C)C1 ZINC000570925954 375399682 /nfs/dbraw/zinc/39/96/82/375399682.db2.gz MEHGXHNYCAQFKH-BDAKNGLRSA-N -1 0 303.340 -0.327 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])c1 ZINC000570898917 375400465 /nfs/dbraw/zinc/40/04/65/375400465.db2.gz FOCUBNXFEQEHTQ-DTWKUNHWSA-N -1 0 303.340 -0.422 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)c1cnn2c1OCCC2)C1CC1 ZINC000575043314 375402493 /nfs/dbraw/zinc/40/24/93/375402493.db2.gz UIQXUNBAOMZEOI-VIFPVBQESA-N -1 0 301.324 -0.193 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000580074708 375428476 /nfs/dbraw/zinc/42/84/76/375428476.db2.gz ZWUARTULECEFMR-VHSXEESVSA-N -1 0 304.368 -0.409 20 0 DBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)CC(C)(C)OC)C(=O)OC ZINC000589214797 375452252 /nfs/dbraw/zinc/45/22/52/375452252.db2.gz YQHFVXJVWSUVGD-MRVPVSSYSA-N -1 0 311.356 -0.565 20 0 DBADRM C[C@H]1OCCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H]1C ZINC000166565860 375454358 /nfs/dbraw/zinc/45/43/58/375454358.db2.gz DBEPFHZPKXHNFO-JGVFFNPUSA-N -1 0 304.306 -0.139 20 0 DBADRM CN(C(=O)[C@@H]1CCC[C@H]1C(=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000314296053 375496120 /nfs/dbraw/zinc/49/61/20/375496120.db2.gz FTCZPCKBWHLWCQ-HBNTYKKESA-N -1 0 318.395 -0.020 20 0 DBADRM CC(C)CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000175325419 375496240 /nfs/dbraw/zinc/49/62/40/375496240.db2.gz MTAPMZVLAFKTAX-UHFFFAOYSA-N -1 0 312.351 -0.064 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@@H]3CC=CCC3)cc-2c(=O)[n-]1 ZINC000176719945 375501638 /nfs/dbraw/zinc/50/16/38/375501638.db2.gz DDXMDTVEJYJBSU-MRVPVSSYSA-N -1 0 322.346 -0.002 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2cccc(C(=O)[O-])c2)c1=O ZINC000314509493 375508520 /nfs/dbraw/zinc/50/85/20/375508520.db2.gz RVABGUFZDIPFQS-UHFFFAOYSA-N -1 0 303.274 -0.116 20 0 DBADRM O=C(N[C@H]1CCCOCC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000180975425 375529300 /nfs/dbraw/zinc/52/93/00/375529300.db2.gz OOKAAECGZOBHFV-VIFPVBQESA-N -1 0 304.306 -0.090 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H]1CCC1(F)F ZINC000601384624 375594658 /nfs/dbraw/zinc/59/46/58/375594658.db2.gz DKJWTSVXJBIJAH-SFYZADRCSA-N -1 0 301.311 -0.125 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000390235313 375595043 /nfs/dbraw/zinc/59/50/43/375595043.db2.gz IPGFBAHNKJVSJL-NXEZZACHSA-N -1 0 321.399 -0.322 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCOc2ccccc2)CCO1 ZINC000643151310 375615253 /nfs/dbraw/zinc/61/52/53/375615253.db2.gz VUIKMKMCYDYSBJ-LBPRGKRZSA-N -1 0 322.317 -0.506 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2ccccc2F)CCO1 ZINC000643151739 375619346 /nfs/dbraw/zinc/61/93/46/375619346.db2.gz VQYOIBLPQXKBNL-LBPRGKRZSA-N -1 0 324.308 -0.204 20 0 DBADRM Cc1ccc(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000643163361 375649793 /nfs/dbraw/zinc/64/97/93/375649793.db2.gz LOAVRUGAHISWBG-CYBMUJFWSA-N -1 0 320.345 -0.034 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2ccsc2)CCO1 ZINC000643154749 375632517 /nfs/dbraw/zinc/63/25/17/375632517.db2.gz MLAONKZQQRXTPN-JTQLQIEISA-N -1 0 312.347 -0.281 20 0 DBADRM CCCCOCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643156692 375635995 /nfs/dbraw/zinc/63/59/95/375635995.db2.gz IOQBXPBCJWKHIR-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM CN1CCCc2ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc21 ZINC000364431700 375639297 /nfs/dbraw/zinc/63/92/97/375639297.db2.gz WMIZIRGVHIBRHW-LLVKDONJSA-N -1 0 314.363 -0.207 20 0 DBADRM COc1ccc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])cc1C(N)=O ZINC000054053867 375639429 /nfs/dbraw/zinc/63/94/29/375639429.db2.gz QRDOAGDCDWQUJT-SSDOTTSWSA-N -1 0 316.335 -0.112 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)CC1=O ZINC000643159135 375639839 /nfs/dbraw/zinc/63/98/39/375639839.db2.gz XEDDXHNNROOGNG-NSHDSACASA-N -1 0 319.317 -0.652 20 0 DBADRM CNC(=O)C1CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1 ZINC000194500796 375640250 /nfs/dbraw/zinc/64/02/50/375640250.db2.gz GOWAPVRWOGQZSR-QMMMGPOBSA-N -1 0 309.288 -0.106 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCOCC2CCC2)CCO1 ZINC000643168747 375693544 /nfs/dbraw/zinc/69/35/44/375693544.db2.gz ANCWRECYSMVDMG-NSHDSACASA-N -1 0 314.338 -0.769 20 0 DBADRM CC(C)(CC(=O)N1CCCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000367407850 375669901 /nfs/dbraw/zinc/66/99/01/375669901.db2.gz LHCFIWROQZNTTH-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM O=C([O-])[C@H]1COCCN1CC(=O)NC(=O)NCc1ccccc1 ZINC000590643353 375670277 /nfs/dbraw/zinc/67/02/77/375670277.db2.gz FCHUPCGSAFHZSG-GFCCVEGCSA-N -1 0 321.333 -0.202 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCO[C@H]2C2CC2)C1 ZINC000643169272 375699853 /nfs/dbraw/zinc/69/98/53/375699853.db2.gz LJRMUPPSLSADKA-PGUXBMHVSA-N -1 0 310.350 -0.007 20 0 DBADRM CCC(O)(CC)CCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643169341 375701477 /nfs/dbraw/zinc/70/14/77/375701477.db2.gz RNMLRHAMFKSQRX-JTQLQIEISA-N -1 0 316.354 -0.644 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000643169777 375702793 /nfs/dbraw/zinc/70/27/93/375702793.db2.gz BVKROODVZGKPKC-NNYUYHANSA-N -1 0 322.361 -0.007 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000643169775 375702837 /nfs/dbraw/zinc/70/28/37/375702837.db2.gz BVKROODVZGKPKC-KXNHARMFSA-N -1 0 322.361 -0.007 20 0 DBADRM CCSCC[C@H](C)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591459229 375715298 /nfs/dbraw/zinc/71/52/98/375715298.db2.gz RXTUHXFAHPVLEA-UWVGGRQHSA-N -1 0 318.395 -0.054 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)CCOCC1CCC1)C(=O)OC ZINC000592045071 375765941 /nfs/dbraw/zinc/76/59/41/375765941.db2.gz SHIUKLCLXZPRHG-NSHDSACASA-N -1 0 309.384 -0.090 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)C[C@@H](OC)C(C)C)CCOC1 ZINC000592036263 375770619 /nfs/dbraw/zinc/77/06/19/375770619.db2.gz PHKAQNDQFCFCJG-ZYHUDNBSSA-N -1 0 309.384 -0.091 20 0 DBADRM O=C([O-])CSCC(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC000592351127 375794334 /nfs/dbraw/zinc/79/43/34/375794334.db2.gz WRTUANVEDBMZRM-VIFPVBQESA-N -1 0 301.368 -0.180 20 0 DBADRM COC(=O)Cc1nc([N-]S(=O)(=O)C[C@H](OC)C(C)C)n[nH]1 ZINC000592384379 375796967 /nfs/dbraw/zinc/79/69/67/375796967.db2.gz YAXXVQQMQGKMAV-QMMMGPOBSA-N -1 0 320.371 -0.067 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000592440212 375803724 /nfs/dbraw/zinc/80/37/24/375803724.db2.gz HDEOELPZEHMWNZ-LPEHRKFASA-N -1 0 312.322 -0.623 20 0 DBADRM CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643172709 375813586 /nfs/dbraw/zinc/81/35/86/375813586.db2.gz NTYWVXZOJRZSHA-MXWKQRLJSA-N -1 0 314.338 -0.628 20 0 DBADRM CC1(C)SC[C@@H]1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643172751 375813675 /nfs/dbraw/zinc/81/36/75/375813675.db2.gz VPEVGJQCBUDSPQ-YUMQZZPRSA-N -1 0 302.352 -0.691 20 0 DBADRM CCOC(=O)c1nc(NC(=O)[C@H]2CCN(C)S2(=O)=O)c[nH]1 ZINC000592793439 375824038 /nfs/dbraw/zinc/82/40/38/375824038.db2.gz RHBZFLZSQQFNDI-SSDOTTSWSA-N -1 0 316.339 -0.441 20 0 DBADRM COC(=O)C12CC(C(=O)Nc3n[n-]c(S(C)(=O)=O)n3)(C1)C2 ZINC000592946602 375838060 /nfs/dbraw/zinc/83/80/60/375838060.db2.gz QOYQAMIBQFQBIM-UHFFFAOYSA-N -1 0 314.323 -0.510 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1cccc(C(=O)[O-])c1 ZINC000592993057 375841948 /nfs/dbraw/zinc/84/19/48/375841948.db2.gz IDHSRZZYSRSTDB-UHFFFAOYSA-N -1 0 308.290 -0.125 20 0 DBADRM CCCSC[C@@H](NS(=O)(=O)c1cnnn1C)C(=O)[O-] ZINC000593254629 375852432 /nfs/dbraw/zinc/85/24/32/375852432.db2.gz PQRDPRLKFAWNIJ-SSDOTTSWSA-N -1 0 308.385 -0.310 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)[C@@H]1CCO[C@@H](C)C1)C(=O)[O-] ZINC000593255974 375854209 /nfs/dbraw/zinc/85/42/09/375854209.db2.gz AVTQUWTUCICUIG-IVZWLZJFSA-N -1 0 323.367 -0.120 20 0 DBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NC2(C(=O)[O-])CC2)cc1 ZINC000201853687 375886242 /nfs/dbraw/zinc/88/62/42/375886242.db2.gz LYSWXXNCKNBRJW-UHFFFAOYSA-N -1 0 319.360 -0.014 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)[C@@H](O)Cc2cnn(C)c2)[n-]1 ZINC000593902054 375899648 /nfs/dbraw/zinc/89/96/48/375899648.db2.gz YZWWLJJPUVGRKV-JTQLQIEISA-N -1 0 307.310 -0.138 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1cccc(OC)c1F ZINC000594470403 375927950 /nfs/dbraw/zinc/92/79/50/375927950.db2.gz BHMBSYIPDVVETF-SSDOTTSWSA-N -1 0 307.299 -0.354 20 0 DBADRM CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2ccnn2C)n1 ZINC000594462092 375931980 /nfs/dbraw/zinc/93/19/80/375931980.db2.gz KKWFBBBMITXHBU-UHFFFAOYSA-N -1 0 313.339 -0.020 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000594543857 375934029 /nfs/dbraw/zinc/93/40/29/375934029.db2.gz INLVAYJPSDODJV-UWVGGRQHSA-N -1 0 314.338 -0.519 20 0 DBADRM CCOC(=O)CC[C@H](C)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000594529119 375935589 /nfs/dbraw/zinc/93/55/89/375935589.db2.gz GBLMYDVATFLVCT-BDAKNGLRSA-N -1 0 302.327 -0.329 20 0 DBADRM CCOC(=O)C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000594530819 375935847 /nfs/dbraw/zinc/93/58/47/375935847.db2.gz VBJHSFSJCJKGKM-BDAKNGLRSA-N -1 0 302.327 -0.471 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCC1([S@](C)=O)CCC1)C(=O)[O-] ZINC000594530794 375936075 /nfs/dbraw/zinc/93/60/75/375936075.db2.gz UKBYRJYNOIQVCA-FHZGZLOMSA-N -1 0 304.368 -0.759 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)CCc1scnc1C ZINC000594768214 375947470 /nfs/dbraw/zinc/94/74/70/375947470.db2.gz SODKTSHRAUBTDI-SECBINFHSA-N -1 0 322.408 -0.163 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000594766952 375947715 /nfs/dbraw/zinc/94/77/15/375947715.db2.gz IDCFPWQZIOOTNH-HTQZYQBOSA-N -1 0 301.311 -0.125 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN(C)Cc1n[n-]c(=O)o1 ZINC000595552497 376015810 /nfs/dbraw/zinc/01/58/10/376015810.db2.gz XIBTUMHTDCIILN-SSDOTTSWSA-N -1 0 301.303 -0.932 20 0 DBADRM CN(C)C(=O)CN1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000595550286 376016353 /nfs/dbraw/zinc/01/63/53/376016353.db2.gz ZWCLELKPCNHSOH-UHFFFAOYSA-N -1 0 318.381 -0.772 20 0 DBADRM COC(=O)CCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595260793 375982202 /nfs/dbraw/zinc/98/22/02/375982202.db2.gz KYKHHTZERSKKTD-NOZJJQNGSA-N -1 0 300.311 -0.318 20 0 DBADRM C[S@@](=O)C1(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000595263872 375985054 /nfs/dbraw/zinc/98/50/54/375985054.db2.gz WGTXBARDENEGAJ-ZGFOBKASSA-N -1 0 316.379 -0.360 20 0 DBADRM COC(=O)COc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000595237556 375985533 /nfs/dbraw/zinc/98/55/33/375985533.db2.gz GZLCUCNITLUYJK-MRVPVSSYSA-N -1 0 324.289 -0.234 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)NCCSCC(=O)[O-])n1 ZINC000595243028 375987273 /nfs/dbraw/zinc/98/72/73/375987273.db2.gz IRKNOQZTVWYEOS-UHFFFAOYSA-N -1 0 301.372 -0.095 20 0 DBADRM COC(=O)[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000595275231 375988945 /nfs/dbraw/zinc/98/89/45/375988945.db2.gz AFHGJKQTPQXLDR-DTORHVGOSA-N -1 0 300.311 -0.623 20 0 DBADRM CSCCCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595275410 375989560 /nfs/dbraw/zinc/98/95/60/375989560.db2.gz MQYHSMLSLJILEV-NOZJJQNGSA-N -1 0 316.379 -0.585 20 0 DBADRM CCSC1(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000595276968 375991243 /nfs/dbraw/zinc/99/12/43/375991243.db2.gz ZNALCYHQVDDHDA-SECBINFHSA-N -1 0 316.379 -0.300 20 0 DBADRM COC(=O)C(C)(C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000596784929 376099112 /nfs/dbraw/zinc/09/91/12/376099112.db2.gz RGYGEOTVAOTNQE-UHFFFAOYSA-N -1 0 316.335 -0.279 20 0 DBADRM COC(=O)[C@@H](C)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597064090 376111686 /nfs/dbraw/zinc/11/16/86/376111686.db2.gz CNRRYZSFGOYALD-ZETCQYMHSA-N -1 0 316.335 -0.422 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2nn(C)cc2C)cn1 ZINC000596028741 376066504 /nfs/dbraw/zinc/06/65/04/376066504.db2.gz NNEUZLUMJMBKBO-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000596027071 376066939 /nfs/dbraw/zinc/06/69/39/376066939.db2.gz PCAQVNRRXIBWLK-SNVBAGLBSA-N -1 0 322.383 -0.183 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000596133195 376072850 /nfs/dbraw/zinc/07/28/50/376072850.db2.gz WBDZILSFLAGPNP-FBMBQALPSA-N -1 0 318.395 -0.513 20 0 DBADRM Cn1[n-]c(C(=O)NCC(C)(C)N2CCS(=O)CC2)cc1=O ZINC000597218350 376120136 /nfs/dbraw/zinc/12/01/36/376120136.db2.gz IBWWABVTFMYLND-UHFFFAOYSA-N -1 0 314.411 -0.302 20 0 DBADRM COC[C@@H](NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1)C(=O)OC ZINC000597483109 376135422 /nfs/dbraw/zinc/13/54/22/376135422.db2.gz KCKGFLKKNGYGLL-SNVBAGLBSA-N -1 0 321.289 -0.052 20 0 DBADRM COC[C@H](NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1)C(=O)OC ZINC000597483107 376136025 /nfs/dbraw/zinc/13/60/25/376136025.db2.gz KCKGFLKKNGYGLL-JTQLQIEISA-N -1 0 321.289 -0.052 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597495146 376143022 /nfs/dbraw/zinc/14/30/22/376143022.db2.gz ALRHQGMWUFJSQN-XJZHNMMOSA-N -1 0 320.392 -0.464 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(=O)n(C)[n-]1 ZINC000597580642 376150285 /nfs/dbraw/zinc/15/02/85/376150285.db2.gz GBNMMRKBFVUTQD-JGVFFNPUSA-N -1 0 312.326 -0.688 20 0 DBADRM CCOC(=O)c1cn(CCNC(=O)c2cc(=O)n(C)[n-]2)cn1 ZINC000597598948 376153679 /nfs/dbraw/zinc/15/36/79/376153679.db2.gz BLVXWJGQBMNZTH-UHFFFAOYSA-N -1 0 307.310 -0.071 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000054334103 376212932 /nfs/dbraw/zinc/21/29/32/376212932.db2.gz MZZHZJDOWHCCPE-QMMMGPOBSA-N -1 0 308.356 -0.574 20 0 DBADRM CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)OC)no1)C(=O)OC ZINC000599342221 376279814 /nfs/dbraw/zinc/27/98/14/376279814.db2.gz XRIVTBKKSMIPNT-ZETCQYMHSA-N -1 0 320.323 -0.061 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cc(OC)no2)on1 ZINC000599351053 376280786 /nfs/dbraw/zinc/28/07/86/376280786.db2.gz VSKDYCWRKVVMIL-UHFFFAOYSA-N -1 0 317.279 -0.064 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)C2)on1 ZINC000599319474 376281592 /nfs/dbraw/zinc/28/15/92/376281592.db2.gz FFMXPYFUWHPIJF-SFYZADRCSA-N -1 0 304.324 -0.100 20 0 DBADRM COCCOC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599243460 376256646 /nfs/dbraw/zinc/25/66/46/376256646.db2.gz WGZAMZGMHDKMQQ-QMMMGPOBSA-N -1 0 322.339 -0.209 20 0 DBADRM COCCOCCC[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599209291 376256785 /nfs/dbraw/zinc/25/67/85/376256785.db2.gz QQTCAKRCCVHACH-UHFFFAOYSA-N -1 0 322.339 -0.207 20 0 DBADRM COCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599239407 376257483 /nfs/dbraw/zinc/25/74/83/376257483.db2.gz BVLJKUAZZNEDKD-LLVKDONJSA-N -1 0 322.339 -0.473 20 0 DBADRM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599206767 376257683 /nfs/dbraw/zinc/25/76/83/376257683.db2.gz JGELBGDGKFICMI-ZCFIWIBFSA-N -1 0 305.312 -0.736 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@@H](OCC)C1CC1 ZINC000599283554 376263362 /nfs/dbraw/zinc/26/33/62/376263362.db2.gz YPPSHEBKWUGNLO-GHMZBOCLSA-N -1 0 309.384 -0.355 20 0 DBADRM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)no1)C(=O)OC ZINC000599256230 376264914 /nfs/dbraw/zinc/26/49/14/376264914.db2.gz XGRHTAQVAIHADV-ZCFIWIBFSA-N -1 0 306.296 -0.309 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](C)C(=O)OC)on1 ZINC000599259000 376266664 /nfs/dbraw/zinc/26/66/64/376266664.db2.gz RGJODZZMRBXAIL-LURJTMIESA-N -1 0 306.296 -0.451 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cn(C)nn2)on1 ZINC000599271845 376268581 /nfs/dbraw/zinc/26/85/81/376268581.db2.gz NNUCBMYYCCLFRI-UHFFFAOYSA-N -1 0 301.284 -0.932 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]Cc2nccn2C)on1 ZINC000599273440 376268835 /nfs/dbraw/zinc/26/88/35/376268835.db2.gz DNJGGCUYFAKNSH-UHFFFAOYSA-N -1 0 300.296 -0.327 20 0 DBADRM COC(=O)[C@@H](C)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599267255 376268949 /nfs/dbraw/zinc/26/89/49/376268949.db2.gz VBTVLXXRBQXBHX-QMMMGPOBSA-N -1 0 315.351 -0.008 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2nnc(C)[nH]2)on1 ZINC000599308561 376274493 /nfs/dbraw/zinc/27/44/93/376274493.db2.gz SKXZKJFWKPYRES-RXMQYKEDSA-N -1 0 315.311 -0.073 20 0 DBADRM COC(=O)c1cnn(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1 ZINC000599723370 376330570 /nfs/dbraw/zinc/33/05/70/376330570.db2.gz WGBLFGDNGVMYTG-VIFPVBQESA-N -1 0 319.325 -0.411 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000599786541 376338214 /nfs/dbraw/zinc/33/82/14/376338214.db2.gz BUUNCCGSIRUPMT-NKWVEPMBSA-N -1 0 318.355 -0.287 20 0 DBADRM O=C(CCNS(=O)(=O)c1ccccc1)NCc1nnn[n-]1 ZINC000599334267 376283600 /nfs/dbraw/zinc/28/36/00/376283600.db2.gz IUVMMSACSDXDNN-UHFFFAOYSA-N -1 0 310.339 -0.816 20 0 DBADRM COc1ccccc1N1C[C@@H](C(=O)NCc2nnn[n-]2)CC1=O ZINC000599377746 376287421 /nfs/dbraw/zinc/28/74/21/376287421.db2.gz ZKAWDBICSKUAFL-VIFPVBQESA-N -1 0 316.321 -0.122 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](CN2CCOC[C@H]2C(=O)[O-])C1 ZINC000250932444 376297331 /nfs/dbraw/zinc/29/73/31/376297331.db2.gz DMALMJWKMHKOJB-MNOVXSKESA-N -1 0 306.384 -0.557 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)S[C@@H](C)C(=O)[O-])CCO1 ZINC000601997102 376402019 /nfs/dbraw/zinc/40/20/19/376402019.db2.gz JTUGMUJUQFOZHS-ATZCPNFKSA-N -1 0 318.395 -0.055 20 0 DBADRM C[C@@H](S[C@@H](C)C(=O)N1CC(OCC(=O)N(C)C)C1)C(=O)[O-] ZINC000602003869 376403235 /nfs/dbraw/zinc/40/32/35/376403235.db2.gz WNWGHAXXJHTEQL-DTWKUNHWSA-N -1 0 318.395 -0.103 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2)C1 ZINC000062117832 376406252 /nfs/dbraw/zinc/40/62/52/376406252.db2.gz SKEFKBHVONZBIU-SNVBAGLBSA-N -1 0 312.347 -0.102 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2CCCOCC2)CCS1(=O)=O ZINC000333552557 304197024 /nfs/dbraw/zinc/19/70/24/304197024.db2.gz JRLGSCYETNLJOF-NXEZZACHSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)o1 ZINC000069142196 376552708 /nfs/dbraw/zinc/55/27/08/376552708.db2.gz SBDZQYGAFZWBSM-ZETCQYMHSA-N -1 0 323.348 -0.167 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)[C@@H]2CCOC[C@@H]2C)CCOC1 ZINC000603293988 376539954 /nfs/dbraw/zinc/53/99/54/376539954.db2.gz NURHHGXQZKOXDM-UMNHJUIQSA-N -1 0 307.368 -0.337 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)N1CCCCCC1)C(=O)[O-] ZINC000071337466 376611224 /nfs/dbraw/zinc/61/12/24/376611224.db2.gz ZJEJMMFKWZBLFC-VIFPVBQESA-N -1 0 308.356 -0.287 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)N1CCCC[C@@H]1C)C(=O)[O-] ZINC000071337468 376611353 /nfs/dbraw/zinc/61/13/53/376611353.db2.gz DOCDAUPDPNIQPW-IUCAKERBSA-N -1 0 308.356 -0.289 20 0 DBADRM O=C([C@@H](O)Cc1ccccc1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000369128157 376640773 /nfs/dbraw/zinc/64/07/73/376640773.db2.gz QZVRZHSWUFFPLA-RYUDHWBXSA-N -1 0 303.322 -0.297 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000319261786 376720083 /nfs/dbraw/zinc/72/00/83/376720083.db2.gz CVLQSPIBDSPDTF-BONVTDFDSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000365323307 376702493 /nfs/dbraw/zinc/70/24/93/376702493.db2.gz CHBHEFQRXSUKDV-KOLCDFICSA-N -1 0 304.310 -0.038 20 0 DBADRM COCCc1nc(=NC2CCN(c3nnnn3C)CC2)s[n-]1 ZINC000365461126 376732177 /nfs/dbraw/zinc/73/21/77/376732177.db2.gz LLSDKEYIPFSQRJ-UHFFFAOYSA-N -1 0 324.414 -0.247 20 0 DBADRM O=C(NC[C@@H]1COCCO1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000617194759 376737646 /nfs/dbraw/zinc/73/76/46/376737646.db2.gz ZFXHYGYMAZATGH-MRVPVSSYSA-N -1 0 306.278 -0.419 20 0 DBADRM NC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC000050208285 376738866 /nfs/dbraw/zinc/73/88/66/376738866.db2.gz ALGZZLMEPVMTHN-UHFFFAOYSA-N -1 0 323.334 -0.574 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)NCC(C)(C)C(=O)[O-] ZINC000262242020 376788510 /nfs/dbraw/zinc/78/85/10/376788510.db2.gz OXNYQSCYBDWUQC-UHFFFAOYSA-N -1 0 324.399 -0.442 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)Cn1cnc2ccccc2c1=O ZINC000262285906 376795464 /nfs/dbraw/zinc/79/54/64/376795464.db2.gz MLCWNLSPEBKONC-UHFFFAOYSA-N -1 0 319.317 -0.044 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)Cn1cnc2sccc2c1=O ZINC000262386914 304199759 /nfs/dbraw/zinc/19/97/59/304199759.db2.gz ZHYBRPJFWJFWPV-SECBINFHSA-N -1 0 323.330 -0.230 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000063142358 376810335 /nfs/dbraw/zinc/81/03/35/376810335.db2.gz FWYQWPZNNKCMOV-UHFFFAOYSA-N -1 0 323.348 -0.123 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CN1C(=O)c2ccccc2C1=O ZINC000262352002 376811896 /nfs/dbraw/zinc/81/18/96/376811896.db2.gz BOGBSVJBRCIBPZ-UHFFFAOYSA-N -1 0 320.301 -0.158 20 0 DBADRM C[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)NCCF ZINC000337559634 376850541 /nfs/dbraw/zinc/85/05/41/376850541.db2.gz ZPSZXQOODOEQIX-ZCFIWIBFSA-N -1 0 323.284 -0.360 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CCC[C@H](C(=O)[O-])C1)c2=O ZINC000337669593 376869384 /nfs/dbraw/zinc/86/93/84/376869384.db2.gz SULOZHCAGMOMRH-VIFPVBQESA-N -1 0 319.321 -0.547 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)[N-]c1cccc(NC(=O)C(N)=O)c1 ZINC000337795152 376887801 /nfs/dbraw/zinc/88/78/01/376887801.db2.gz CTOXTFBPWLTVMI-UHFFFAOYSA-N -1 0 323.334 -0.057 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@](C)(O)CO ZINC000338634004 376949279 /nfs/dbraw/zinc/94/92/79/376949279.db2.gz MRWWIUWFBFEEHG-CYBMUJFWSA-N -1 0 316.379 -0.079 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@H](C)CCO ZINC000097439241 376958056 /nfs/dbraw/zinc/95/80/56/376958056.db2.gz GGCMOLZGNOVZCZ-MRVPVSSYSA-N -1 0 305.356 -0.117 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2CCSC[C@H]2CC(=O)[O-])c1=O ZINC000262534811 377020735 /nfs/dbraw/zinc/02/07/35/377020735.db2.gz QBIBSANTRPHGEB-SSDOTTSWSA-N -1 0 313.335 -0.482 20 0 DBADRM CN(CCN(C)C(=O)c1cnc([O-])n(C)c1=O)CC(F)F ZINC000338860247 376987948 /nfs/dbraw/zinc/98/79/48/376987948.db2.gz MHZQGDYQZHGJBT-UHFFFAOYSA-N -1 0 304.297 -0.245 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CNC(=O)NCc1ccco1 ZINC000262513449 376994937 /nfs/dbraw/zinc/99/49/37/376994937.db2.gz PHUCNVXIDLYKOF-JTQLQIEISA-N -1 0 311.294 -0.609 20 0 DBADRM O=C([O-])C1(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000263125076 377111487 /nfs/dbraw/zinc/11/14/87/377111487.db2.gz FFQYFFZVTUUXHO-UHFFFAOYSA-N -1 0 311.319 -0.783 20 0 DBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC000531521382 377073299 /nfs/dbraw/zinc/07/32/99/377073299.db2.gz WIKGAJHDNDZCSD-SNVBAGLBSA-N -1 0 322.369 -0.721 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC000262933580 377107269 /nfs/dbraw/zinc/10/72/69/377107269.db2.gz KHIQHRWHRCHZIJ-UTLUCORTSA-N -1 0 305.352 -0.346 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000411093753 377127763 /nfs/dbraw/zinc/12/77/63/377127763.db2.gz CYXDCGLCJRJZPN-SSDOTTSWSA-N -1 0 308.342 -0.250 20 0 DBADRM COC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)C(=O)[O-] ZINC000318960699 377151228 /nfs/dbraw/zinc/15/12/28/377151228.db2.gz UNPHZHQDHBFCJA-VIFPVBQESA-N -1 0 307.262 -0.209 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)CCC1 ZINC000571180827 377156522 /nfs/dbraw/zinc/15/65/22/377156522.db2.gz OQONXZKFMSVIJK-UHFFFAOYSA-N -1 0 323.334 -0.052 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])C2CC2)cs1 ZINC000262214047 377266731 /nfs/dbraw/zinc/26/67/31/377266731.db2.gz YOXQCDHRJMTEKB-MRVPVSSYSA-N -1 0 304.349 -0.012 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)C[C@@H](OC)C2CC2)CCOC1 ZINC000571399780 377218809 /nfs/dbraw/zinc/21/88/09/377218809.db2.gz FZCIHXLZYVJCGX-ZYHUDNBSSA-N -1 0 307.368 -0.337 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000571404171 377221056 /nfs/dbraw/zinc/22/10/56/377221056.db2.gz QTHYOCMUJKHWJD-BJOHPYRUSA-N -1 0 322.317 -0.021 20 0 DBADRM COC(=O)[C@H]1c2ccccc2CCN1CC(=O)NCC(=O)[O-] ZINC000571449176 377226658 /nfs/dbraw/zinc/22/66/58/377226658.db2.gz CACYBPPBUOZAJF-CQSZACIVSA-N -1 0 306.318 -0.040 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cn1 ZINC000261692849 377259165 /nfs/dbraw/zinc/25/91/65/377259165.db2.gz NGKFQZVWPVHDHF-JTQLQIEISA-N -1 0 305.356 -0.083 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000261904915 377261304 /nfs/dbraw/zinc/26/13/04/377261304.db2.gz ZXPSMZMGXDYDSP-UHFFFAOYSA-N -1 0 322.364 -0.700 20 0 DBADRM COc1ccc(NC(=O)CNC(=O)CNC(C)=O)c(C(=O)[O-])c1 ZINC000263345549 377264074 /nfs/dbraw/zinc/26/40/74/377264074.db2.gz YXOFWQODGLRJCS-UHFFFAOYSA-N -1 0 323.305 -0.416 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000623101998 377201886 /nfs/dbraw/zinc/20/18/86/377201886.db2.gz CHLQGPUNDFSTRM-UHFFFAOYSA-N -1 0 322.321 -0.249 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000607341193 377340328 /nfs/dbraw/zinc/34/03/28/377340328.db2.gz RBFIVEPPMGLYSB-GFCCVEGCSA-N -1 0 302.338 -0.283 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1cnn(C)c1)[C@@H](C)C(=O)[O-] ZINC000262254896 377270729 /nfs/dbraw/zinc/27/07/29/377270729.db2.gz RCANDGOOSLZTNF-JTQLQIEISA-N -1 0 310.354 -0.210 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc(C(N)=O)cc1)[C@@H](C)C(=O)[O-] ZINC000262267726 377270946 /nfs/dbraw/zinc/27/09/46/377270946.db2.gz UCEBBTOVVMUEKG-VIFPVBQESA-N -1 0 321.333 -0.163 20 0 DBADRM COCC[C@@H](NC(=O)CNC(=O)COc1ccccc1)C(=O)[O-] ZINC000262298056 377271153 /nfs/dbraw/zinc/27/11/53/377271153.db2.gz MVSLNSNZLPVLQN-GFCCVEGCSA-N -1 0 324.333 -0.213 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)Cn1ncc2ccccc2c1=O ZINC000262367095 377274376 /nfs/dbraw/zinc/27/43/76/377274376.db2.gz DSXOPJSBEDOPCD-UHFFFAOYSA-N -1 0 319.317 -0.044 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cccnc1 ZINC000262458364 377276625 /nfs/dbraw/zinc/27/66/25/377276625.db2.gz RVJORNHBNJVDQL-SECBINFHSA-N -1 0 315.351 -0.319 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1ccc(=O)n(C)c1)C(=O)[O-] ZINC000262824764 377278505 /nfs/dbraw/zinc/27/85/05/377278505.db2.gz QGXIOIDKZFZQGY-NSHDSACASA-N -1 0 323.349 -0.269 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])C2=O)cn1 ZINC000262628793 377278572 /nfs/dbraw/zinc/27/85/72/377278572.db2.gz FECNLKWJYDXPKB-MXWKQRLJSA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@H]3CC[C@H]3C(=O)[O-])C2=O)cn1 ZINC000262628789 377278949 /nfs/dbraw/zinc/27/89/49/377278949.db2.gz FECNLKWJYDXPKB-AXFHLTTASA-N -1 0 306.322 -0.248 20 0 DBADRM CO[C@@H](CNC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)[O-] ZINC000263065872 377281379 /nfs/dbraw/zinc/28/13/79/377281379.db2.gz IONRXGPBZDQIJS-MNOVXSKESA-N -1 0 308.290 -0.008 20 0 DBADRM CO[C@@H](CNC(=O)Cn1cnc2ccccc2c1=O)C(=O)[O-] ZINC000262873978 377281683 /nfs/dbraw/zinc/28/16/83/377281683.db2.gz JWYWLIGGFMRQKV-NSHDSACASA-N -1 0 305.290 -0.388 20 0 DBADRM CO[C@H](CNC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000263147668 377283723 /nfs/dbraw/zinc/28/37/23/377283723.db2.gz WIXAVVZPFVNVJO-LLVKDONJSA-N -1 0 324.289 -0.639 20 0 DBADRM CC(C)C[C@@H](CNC(=O)N1CCO[C@H](C(N)=O)C1)C(=O)[O-] ZINC000263109469 377284239 /nfs/dbraw/zinc/28/42/39/377284239.db2.gz YIUZPZKAWCKEOW-UWVGGRQHSA-N -1 0 301.343 -0.371 20 0 DBADRM COC(=O)[C@H](C)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000263678903 377288268 /nfs/dbraw/zinc/28/82/68/377288268.db2.gz GMQSDEUYGNQDMJ-ZCFIWIBFSA-N -1 0 306.278 -0.025 20 0 DBADRM CCC[C@H](NC(=O)CNC(=O)c1cccnc1)c1nnn[n-]1 ZINC000268924530 377378600 /nfs/dbraw/zinc/37/86/00/377378600.db2.gz XPEPTLKLMRYMCQ-JTQLQIEISA-N -1 0 303.326 -0.018 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000269155939 377385758 /nfs/dbraw/zinc/38/57/58/377385758.db2.gz VAFOXGRRXOTPKR-UHFFFAOYSA-N -1 0 305.312 -0.839 20 0 DBADRM C[C@H](CO)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269763680 377421261 /nfs/dbraw/zinc/42/12/61/377421261.db2.gz DOTGFENMQIGIGN-LURJTMIESA-N -1 0 314.323 -0.657 20 0 DBADRM COC[C@H](O)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000270141436 377437565 /nfs/dbraw/zinc/43/75/65/377437565.db2.gz VCBMQBNPNTULMO-SECBINFHSA-N -1 0 323.374 -0.191 20 0 DBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)C(=O)[O-])c1 ZINC000270488935 377451719 /nfs/dbraw/zinc/45/17/19/377451719.db2.gz LPNZBJYXCYSREH-SSDOTTSWSA-N -1 0 322.364 -0.654 20 0 DBADRM CC1(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)OCCO1 ZINC000271092542 377482091 /nfs/dbraw/zinc/48/20/91/377482091.db2.gz USMCAJNFBWGPMQ-UHFFFAOYSA-N -1 0 306.278 -0.071 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC000271466482 377498773 /nfs/dbraw/zinc/49/87/73/377498773.db2.gz YAQYHLRUGFDVBV-LBPRGKRZSA-N -1 0 305.334 -0.247 20 0 DBADRM CC1(C)Cc2cc(NC(=O)C(=O)[N-]OCC(N)=O)ccc2O1 ZINC000276167156 377551139 /nfs/dbraw/zinc/55/11/39/377551139.db2.gz QSUMHBRFAMRADJ-UHFFFAOYSA-N -1 0 307.306 -0.128 20 0 DBADRM CN1C(=O)CN(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1=O ZINC000277375419 377591859 /nfs/dbraw/zinc/59/18/59/377591859.db2.gz QABPHYNOPFDETR-UHFFFAOYSA-N -1 0 310.232 -0.631 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCC(=O)NC(N)=O ZINC000277020482 377584741 /nfs/dbraw/zinc/58/47/41/377584741.db2.gz BHIPZHIIGRVDDM-UHFFFAOYSA-N -1 0 312.248 -0.855 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000277142242 377587008 /nfs/dbraw/zinc/58/70/08/377587008.db2.gz VWVWDQNQKUQDAI-YFKPBYRVSA-N -1 0 300.233 -0.906 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCC(=O)NC1=O ZINC000277233978 377589005 /nfs/dbraw/zinc/58/90/05/377589005.db2.gz BSDJSYZWXDMWQF-YFKPBYRVSA-N -1 0 309.244 -0.635 20 0 DBADRM CC(C)n1cc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cn1 ZINC000278159467 377617079 /nfs/dbraw/zinc/61/70/79/377617079.db2.gz BZDFMMNZIVYCCU-UHFFFAOYSA-N -1 0 318.355 -0.667 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc(OCC(N)=O)cc2)c1[O-] ZINC000277882892 377610963 /nfs/dbraw/zinc/61/09/63/377610963.db2.gz AKZHWHLFJLSBDB-NSHDSACASA-N -1 0 321.289 -0.461 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2cccc(OCC(N)=O)c2)c1[O-] ZINC000278040187 377614399 /nfs/dbraw/zinc/61/43/99/377614399.db2.gz LDBUPOICAKZEDO-LLVKDONJSA-N -1 0 321.289 -0.461 20 0 DBADRM O=C([O-])/C=C/CNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000278602336 377626424 /nfs/dbraw/zinc/62/64/24/377626424.db2.gz FZHJUVIRVCDWQC-GPYPMJJRSA-N -1 0 301.324 -0.236 20 0 DBADRM CNc1snc(C)c1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000278623360 377626441 /nfs/dbraw/zinc/62/64/41/377626441.db2.gz MQBZYUIAOTYSJX-UHFFFAOYSA-N -1 0 320.396 -0.311 20 0 DBADRM CCn1cc([N-]S(=O)(=O)C[C@H]2CCCO2)c(C(N)=O)n1 ZINC000278599838 377627230 /nfs/dbraw/zinc/62/72/30/377627230.db2.gz KYEOJVSXZFVEQH-MRVPVSSYSA-N -1 0 302.356 -0.077 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)COCc1ccccc1 ZINC000278753873 377632932 /nfs/dbraw/zinc/63/29/32/377632932.db2.gz WYTDQPFGVPWYDU-UHFFFAOYSA-N -1 0 314.363 -0.215 20 0 DBADRM COc1ccc(C=O)c(OCC(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000280094816 377676547 /nfs/dbraw/zinc/67/65/47/377676547.db2.gz LXGNJLYLUHZZTB-UHFFFAOYSA-N -1 0 321.289 -0.078 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000280209168 377681370 /nfs/dbraw/zinc/68/13/70/377681370.db2.gz VWRMVTOZAPCAOM-SECBINFHSA-N -1 0 320.305 -0.337 20 0 DBADRM CC1=C(C(=O)NCCc2nc(=O)o[n-]2)[C@H](C)n2ncnc2N1C ZINC000281434479 377734851 /nfs/dbraw/zinc/73/48/51/377734851.db2.gz AWCRGQOGTKYLAK-QMMMGPOBSA-N -1 0 319.325 -0.402 20 0 DBADRM CC(CO)(CO)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000282387519 377776839 /nfs/dbraw/zinc/77/68/39/377776839.db2.gz QZJTXHOSWWMHHZ-UHFFFAOYSA-N -1 0 323.374 -0.455 20 0 DBADRM O=C(NCC1CC1)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000281801346 377749877 /nfs/dbraw/zinc/74/98/77/377749877.db2.gz JSVZQEPPJBXKHQ-UHFFFAOYSA-N -1 0 302.294 -0.580 20 0 DBADRM COCCN(C)S(=O)(=O)NCCc1cccc(C(=O)[O-])n1 ZINC000282017407 377760216 /nfs/dbraw/zinc/76/02/16/377760216.db2.gz XISUTKMTCINGQF-UHFFFAOYSA-N -1 0 317.367 -0.265 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(N)nc(Cl)c1 ZINC000282012837 377760496 /nfs/dbraw/zinc/76/04/96/377760496.db2.gz ITMSCQYFVPMCQN-UHFFFAOYSA-N -1 0 320.758 -0.487 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc2nc[nH]c2n1 ZINC000282339345 377774549 /nfs/dbraw/zinc/77/45/49/377774549.db2.gz WCYWQJXZGMOJNP-UHFFFAOYSA-N -1 0 311.323 -0.846 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC(=O)NCC2(C)C)cc1C(=O)[O-] ZINC000283762711 377840263 /nfs/dbraw/zinc/84/02/63/377840263.db2.gz HXFLFFBEPKARTD-UHFFFAOYSA-N -1 0 315.351 -0.378 20 0 DBADRM COCCn1cc(C[N-]S(=O)(=O)c2c(C)onc2N)cn1 ZINC000289695242 377886970 /nfs/dbraw/zinc/88/69/70/377886970.db2.gz DHYYMYRYTWMABK-UHFFFAOYSA-N -1 0 315.355 -0.113 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-] ZINC000290871356 377917567 /nfs/dbraw/zinc/91/75/67/377917567.db2.gz AYEMNKFCMCTMDH-MRVPVSSYSA-N -1 0 315.307 -0.009 20 0 DBADRM CSCCO[N-]C(=O)CNS(=O)(=O)c1cccnc1 ZINC000290921010 377918520 /nfs/dbraw/zinc/91/85/20/377918520.db2.gz QMTVOZSMDGJQDM-UHFFFAOYSA-N -1 0 305.381 -0.229 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000291718475 377933074 /nfs/dbraw/zinc/93/30/74/377933074.db2.gz JYWJAYGYSVQGPU-UHFFFAOYSA-N -1 0 320.349 -0.375 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cnn(C)c2C)C1=O ZINC000292151861 377944423 /nfs/dbraw/zinc/94/44/23/377944423.db2.gz BWHWWRRBDVWHQF-NSHDSACASA-N -1 0 315.355 -0.358 20 0 DBADRM CCOC[C@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000290700570 377912457 /nfs/dbraw/zinc/91/24/57/377912457.db2.gz SFBJIWXPODSHCO-VIFPVBQESA-N -1 0 305.356 -0.195 20 0 DBADRM CCOc1ccncc1S(=O)(=O)NCC(=O)NCCOC ZINC000296013934 378016517 /nfs/dbraw/zinc/01/65/17/378016517.db2.gz QSUOPYZDVGSMBR-UHFFFAOYSA-N -1 0 317.367 -0.479 20 0 DBADRM CC[C@H](C)CO[N-]C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000293734801 377975645 /nfs/dbraw/zinc/97/56/45/377975645.db2.gz NOKCZWJXWRPNEG-VIFPVBQESA-N -1 0 304.372 -0.208 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H](C)CC(=O)[O-])cn1 ZINC000340452097 377985265 /nfs/dbraw/zinc/98/52/65/377985265.db2.gz SNKSXKVDKAJBJO-SSDOTTSWSA-N -1 0 305.312 -0.802 20 0 DBADRM CNC(=O)NCCC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000294334144 377989393 /nfs/dbraw/zinc/98/93/93/377989393.db2.gz AEIQKOJJBQMFJD-UHFFFAOYSA-N -1 0 305.298 -0.787 20 0 DBADRM CC[C@H](C)N(CC(=O)OC)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000296817507 378032370 /nfs/dbraw/zinc/03/23/70/378032370.db2.gz GSNQGUGILCHHPY-ZETCQYMHSA-N -1 0 302.356 -0.010 20 0 DBADRM COCCS(=O)(=O)[N-]c1c(OC)cccc1S(N)(=O)=O ZINC000340635929 378049795 /nfs/dbraw/zinc/04/97/95/378049795.db2.gz QDUISFJSCPNUQR-UHFFFAOYSA-N -1 0 324.380 -0.269 20 0 DBADRM NS(=O)(=O)c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1 ZINC000534785079 378064446 /nfs/dbraw/zinc/06/44/46/378064446.db2.gz UOPLUIVJORVHGO-UHFFFAOYSA-N -1 0 308.337 -0.913 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])cn1C ZINC000340538291 378024386 /nfs/dbraw/zinc/02/43/86/378024386.db2.gz WFWQOHZGGHUGOP-ZETCQYMHSA-N -1 0 304.324 -0.095 20 0 DBADRM COC(=O)[C@H](CC(F)F)NC(=O)c1cnc([O-])n(C)c1=O ZINC000342524090 378101098 /nfs/dbraw/zinc/10/10/98/378101098.db2.gz SLCSKDIVSQULPI-LURJTMIESA-N -1 0 305.237 -0.588 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CC[C@H](O)C1 ZINC000330457940 378213819 /nfs/dbraw/zinc/21/38/19/378213819.db2.gz PCIZNNDWOBGNMA-QMMMGPOBSA-N -1 0 320.317 -0.164 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)N2CC(C(=O)[O-])C2)CC1 ZINC000400178795 378166046 /nfs/dbraw/zinc/16/60/46/378166046.db2.gz GCBZGBLGOGVVCR-UHFFFAOYSA-N -1 0 305.356 -0.864 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)[C@@H]2CCS(=O)(=O)C2)[n-]1 ZINC000330598583 378242196 /nfs/dbraw/zinc/24/21/96/378242196.db2.gz DQDQINFNPXXHIJ-SSDOTTSWSA-N -1 0 301.324 -0.040 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCOC1 ZINC000262318463 378307885 /nfs/dbraw/zinc/30/78/85/378307885.db2.gz QNRUCZPLWXZFGU-HQJQHLMTSA-N -1 0 324.255 -0.243 20 0 DBADRM CNC(=O)[C@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CCO1 ZINC000180237991 378312461 /nfs/dbraw/zinc/31/24/61/378312461.db2.gz DLYBTJZNJVXOCK-SECBINFHSA-N -1 0 308.363 -0.069 20 0 DBADRM CNS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC000294434650 378316129 /nfs/dbraw/zinc/31/61/29/378316129.db2.gz XNHAZIRVWUEQJP-UHFFFAOYSA-N -1 0 317.342 -0.247 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C[C@@H](C)O1 ZINC000582179079 378416446 /nfs/dbraw/zinc/41/64/46/378416446.db2.gz IYFKUVWZOHEQKF-HTQZYQBOSA-N -1 0 319.339 -0.468 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)N(C)CCC(=O)OC ZINC000348947418 378403946 /nfs/dbraw/zinc/40/39/46/378403946.db2.gz BYPWERFIDWNWCF-VIFPVBQESA-N -1 0 310.372 -0.089 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)C[S@](C)=O)C1 ZINC000383855796 378411347 /nfs/dbraw/zinc/41/13/47/378411347.db2.gz QKZKWZFHXWFBIR-HGCCHXFOSA-N -1 0 306.384 -0.114 20 0 DBADRM O=C(N[C@H]1CCCNC1=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000347888237 378391851 /nfs/dbraw/zinc/39/18/51/378391851.db2.gz JVDLGQVDGHHFQY-QMMMGPOBSA-N -1 0 303.278 -0.556 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C1 ZINC000054053879 378443814 /nfs/dbraw/zinc/44/38/14/378443814.db2.gz LWBOEPYZDFYMNL-UWVGGRQHSA-N -1 0 322.383 -0.089 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000013077210 378438896 /nfs/dbraw/zinc/43/88/96/378438896.db2.gz WPQOGMVMDFQXOJ-UHFFFAOYSA-N -1 0 316.335 -0.240 20 0 DBADRM COCc1nc(=NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)s[n-]1 ZINC000330110528 378523266 /nfs/dbraw/zinc/52/32/66/378523266.db2.gz AHMFFHLUXJIJGS-DTWKUNHWSA-N -1 0 314.367 -0.319 20 0 DBADRM Cn1cc(CN2CCN(C(=O)CN3CC(=O)NC3=O)CC2)cn1 ZINC000329486249 378486939 /nfs/dbraw/zinc/48/69/39/378486939.db2.gz SXEQYAUEINLPDX-UHFFFAOYSA-N -1 0 320.353 -0.544 20 0 DBADRM CC1(C)SC[C@@H]1NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000333627724 378559694 /nfs/dbraw/zinc/55/96/94/378559694.db2.gz VHDKSDYREFIFPB-SFYZADRCSA-N -1 0 322.408 -0.226 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1CCNC(=O)c1c[n-]n2c1nccc2=O ZINC000617722994 378561915 /nfs/dbraw/zinc/56/19/15/378561915.db2.gz HTUDIOYDEZVCTR-MNOVXSKESA-N -1 0 319.365 -0.138 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000547572659 378577399 /nfs/dbraw/zinc/57/73/99/378577399.db2.gz MUKJOPFHGGGFMC-VGMNWLOBSA-N -1 0 309.340 -0.917 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000532676746 378585521 /nfs/dbraw/zinc/58/55/21/378585521.db2.gz WZUPVARRYXLAHS-JTQLQIEISA-N -1 0 312.347 -0.190 20 0 DBADRM CNC(=O)CCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000354028067 378699102 /nfs/dbraw/zinc/69/91/02/378699102.db2.gz LNYIABQBYCVUJZ-UHFFFAOYSA-N -1 0 305.294 -0.308 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N=c2nc(C)[n-]s2)cn1 ZINC000353992124 378696474 /nfs/dbraw/zinc/69/64/74/378696474.db2.gz ZGDJNRMRTSZNJE-UHFFFAOYSA-N -1 0 313.364 -0.176 20 0 DBADRM Cc1nn2c(SCc3nc(N(C)C)no3)n[n-]c2nc1=O ZINC000354663241 378751197 /nfs/dbraw/zinc/75/11/97/378751197.db2.gz NWZRLOQHTMHXJT-UHFFFAOYSA-N -1 0 308.327 -0.138 20 0 DBADRM CC(C)(NC(=O)CN1C(=O)c2ccccc2C1=O)c1nnn[n-]1 ZINC000354808227 378768216 /nfs/dbraw/zinc/76/82/16/378768216.db2.gz WJQVHQYGGSWKAQ-UHFFFAOYSA-N -1 0 314.305 -0.153 20 0 DBADRM COC(=O)[C@@H](C)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000355405790 378813104 /nfs/dbraw/zinc/81/31/04/378813104.db2.gz ZTGSSEPMGPAWQF-ZETCQYMHSA-N -1 0 304.324 -0.189 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)NCCCCCC(=O)[O-])CC1 ZINC000355421889 378813712 /nfs/dbraw/zinc/81/37/12/378813712.db2.gz PKYJRYNPISWVFD-UHFFFAOYSA-N -1 0 321.399 -0.337 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)Cn1[n-]c(SC)nc1=O ZINC000355974269 378847307 /nfs/dbraw/zinc/84/73/07/378847307.db2.gz ZFKBJIPNLFSVBN-ZCFIWIBFSA-N -1 0 303.344 -0.846 20 0 DBADRM CN(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000356886167 378901410 /nfs/dbraw/zinc/90/14/10/378901410.db2.gz YOOMYIFLZNFTLA-UHFFFAOYSA-N -1 0 324.428 -0.167 20 0 DBADRM CN(CC(C)(CO)CO)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000357250728 378932609 /nfs/dbraw/zinc/93/26/09/378932609.db2.gz BLBFXTOXDCJHOX-UHFFFAOYSA-N -1 0 322.321 -0.501 20 0 DBADRM CCNC(=O)CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000357334069 378938724 /nfs/dbraw/zinc/93/87/24/378938724.db2.gz FAZUKTRIHAMLBV-UHFFFAOYSA-N -1 0 307.357 -0.626 20 0 DBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357070898 378916841 /nfs/dbraw/zinc/91/68/41/378916841.db2.gz OJHPDFBZGZBALE-UHFFFAOYSA-N -1 0 313.325 -0.154 20 0 DBADRM CN(C(=O)CSCC(=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000388631323 378918251 /nfs/dbraw/zinc/91/82/51/378918251.db2.gz HXMWOWDUDACOMH-MRVPVSSYSA-N -1 0 310.397 -0.704 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCC(=O)[O-] ZINC000357400898 378941493 /nfs/dbraw/zinc/94/14/93/378941493.db2.gz DRECALPGQCTHSL-VIFPVBQESA-N -1 0 300.336 -0.056 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000358392153 379034528 /nfs/dbraw/zinc/03/45/28/379034528.db2.gz PUZXRZYNKNCLEF-SNVBAGLBSA-N -1 0 311.390 -0.782 20 0 DBADRM CN1C(=O)c2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)cc2C1=O ZINC000358361931 379029516 /nfs/dbraw/zinc/02/95/16/379029516.db2.gz VDGAXJHHIDYRDH-UHFFFAOYSA-N -1 0 301.262 -0.334 20 0 DBADRM O=C(CNC(=O)Cc1cccc(F)c1)NCc1n[nH]c(=O)[n-]1 ZINC000358355366 379030601 /nfs/dbraw/zinc/03/06/01/379030601.db2.gz LNHRANKTPRVZKP-UHFFFAOYSA-N -1 0 307.285 -0.376 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)c1 ZINC000358562840 379056156 /nfs/dbraw/zinc/05/61/56/379056156.db2.gz FJQBNUKDJHHKRV-UHFFFAOYSA-N -1 0 324.366 -0.155 20 0 DBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCO)cc2)[n-]1 ZINC000358551886 379052528 /nfs/dbraw/zinc/05/25/28/379052528.db2.gz CHZGDJIYQNNJIJ-UHFFFAOYSA-N -1 0 319.317 -0.397 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)CCn2cncn2)C1=O ZINC000358692040 379075616 /nfs/dbraw/zinc/07/56/16/379075616.db2.gz OHHGUDMCHJUXKX-JQWIXIFHSA-N -1 0 323.353 -0.506 20 0 DBADRM COCC1(C(=O)[O-])CCN(C(=O)CN2CSCC2=O)CC1 ZINC000358684790 379076252 /nfs/dbraw/zinc/07/62/52/379076252.db2.gz OIJROLZJMUTRIM-UHFFFAOYSA-N -1 0 316.379 -0.141 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)c2csnn2)C1=O ZINC000358723401 379082158 /nfs/dbraw/zinc/08/21/58/379082158.db2.gz ZEGUKADZIIGRGG-CBAPKCEASA-N -1 0 312.351 -0.022 20 0 DBADRM C[C@H](CN(C)C(=O)CS(=O)(=O)C(C)(C)C)c1nnn[n-]1 ZINC000358782738 379090259 /nfs/dbraw/zinc/09/02/59/379090259.db2.gz RRXDITZZTPVUAB-MRVPVSSYSA-N -1 0 303.388 -0.025 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cnn(C)c2)C1=O ZINC000358701898 379077574 /nfs/dbraw/zinc/07/75/74/379077574.db2.gz ZCTMTYJNWJHGOE-GHMZBOCLSA-N -1 0 308.338 -0.140 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)CCc2nnc[nH]2)C1=O ZINC000358704998 379078076 /nfs/dbraw/zinc/07/80/76/379078076.db2.gz BJJSJFMDYRDKBG-SKDRFNHKSA-N -1 0 323.353 -0.436 20 0 DBADRM COC(=O)Cc1nnc([N-]S(=O)(=O)c2c(C)noc2C)[nH]1 ZINC000358940277 379110089 /nfs/dbraw/zinc/11/00/89/379110089.db2.gz HTGLYQATTQDITB-UHFFFAOYSA-N -1 0 315.311 -0.074 20 0 DBADRM CC(C)(C)CCNC(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000643435340 379112949 /nfs/dbraw/zinc/11/29/49/379112949.db2.gz GRIUQUVUBLAJKT-JTQLQIEISA-N -1 0 320.411 -0.278 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)C(=O)N1CCc2c1cccc2F ZINC000359058684 379117779 /nfs/dbraw/zinc/11/77/79/379117779.db2.gz OYQRTLWSCAICRF-UHFFFAOYSA-N -1 0 305.269 -0.145 20 0 DBADRM Cc1nn2c([n-]nc2SCC(=O)NC(=O)NC2CC2)nc1=O ZINC000359315485 379147955 /nfs/dbraw/zinc/14/79/55/379147955.db2.gz DBBUEIHQUJFFAL-UHFFFAOYSA-N -1 0 323.338 -0.799 20 0 DBADRM CC(C)(NC(=O)Cn1nnc(-c2ccccc2)n1)c1nnn[n-]1 ZINC000359795905 379199969 /nfs/dbraw/zinc/19/99/69/379199969.db2.gz WCNKSPTVPRPGAH-UHFFFAOYSA-N -1 0 313.325 -0.095 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000359802680 379200297 /nfs/dbraw/zinc/20/02/97/379200297.db2.gz MGKOFCSJFYFMTK-UHFFFAOYSA-N -1 0 302.250 -0.216 20 0 DBADRM COC(=O)C1(CS(=O)(=O)[N-]CC(F)(F)CO)CCC1 ZINC000360197893 379239196 /nfs/dbraw/zinc/23/91/96/379239196.db2.gz HUYOQHMIBHERPX-UHFFFAOYSA-N -1 0 301.311 -0.123 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)OC ZINC000360189993 379239247 /nfs/dbraw/zinc/23/92/47/379239247.db2.gz SYNZIHGTRFCGLE-SECBINFHSA-N -1 0 323.367 -0.563 20 0 DBADRM COc1cccc(C(=O)NCC(=O)NC(C)(C)c2nnn[n-]2)c1 ZINC000360353110 379257287 /nfs/dbraw/zinc/25/72/87/379257287.db2.gz LLHWHZJOLLLZCD-UHFFFAOYSA-N -1 0 318.337 -0.010 20 0 DBADRM O=C([O-])C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000360414586 379264706 /nfs/dbraw/zinc/26/47/06/379264706.db2.gz PEUOBPNSPBXQIO-VIFPVBQESA-N -1 0 308.290 -0.488 20 0 DBADRM CCC[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000360571013 379277401 /nfs/dbraw/zinc/27/74/01/379277401.db2.gz SVOBWQYTQAXVCZ-MRVPVSSYSA-N -1 0 301.386 -0.406 20 0 DBADRM Cc1cc(C(=O)N[C@@H](C)CC(N)=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000361050837 379323077 /nfs/dbraw/zinc/32/30/77/379323077.db2.gz BLHGWFZYYHRVIA-LURJTMIESA-N -1 0 305.294 -0.262 20 0 DBADRM COC(=O)c1ccc(CNC(=O)c2cnc([O-])n(C)c2=O)o1 ZINC000361233582 379337992 /nfs/dbraw/zinc/33/79/92/379337992.db2.gz ZCHNKFLHFKXRPF-UHFFFAOYSA-N -1 0 307.262 -0.205 20 0 DBADRM CC(C)(C)c1nc(=NC(=O)c2cn(CC(N)=O)nn2)s[n-]1 ZINC000361617721 379370596 /nfs/dbraw/zinc/37/05/96/379370596.db2.gz XNJLYNDQSBDLCF-UHFFFAOYSA-N -1 0 309.355 -0.413 20 0 DBADRM NC(=O)CO[N-]C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O ZINC000367394605 379431374 /nfs/dbraw/zinc/43/13/74/379431374.db2.gz PRIDJYYBAQDTBT-UHFFFAOYSA-N -1 0 322.252 -0.979 20 0 DBADRM NC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000362500040 379443732 /nfs/dbraw/zinc/44/37/32/379443732.db2.gz QZKCEPLSAFCHDY-VHSXEESVSA-N -1 0 305.290 -0.439 20 0 DBADRM C[C@@H](CN(C)S(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000362238721 379420038 /nfs/dbraw/zinc/42/00/38/379420038.db2.gz SNOVILWJLPAZJS-QMMMGPOBSA-N -1 0 301.386 -0.597 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000362604982 379452060 /nfs/dbraw/zinc/45/20/60/379452060.db2.gz YTHAUIZEMKGHLG-SECBINFHSA-N -1 0 304.306 -0.029 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000367397862 379468211 /nfs/dbraw/zinc/46/82/11/379468211.db2.gz ZRNLEHLPAVJWAW-MRVPVSSYSA-N -1 0 313.260 -0.149 20 0 DBADRM COC(=O)Cc1nc(NC(=O)C2(N3CCOCC3)CCC2)n[nH]1 ZINC000367797080 379519706 /nfs/dbraw/zinc/51/97/06/379519706.db2.gz WRWAZGZOBNQYRL-UHFFFAOYSA-N -1 0 323.353 -0.286 20 0 DBADRM COc1cc(N2CCN(C(=O)c3cc(=O)[nH]cn3)CC2)ncn1 ZINC000626464610 379599793 /nfs/dbraw/zinc/59/97/93/379599793.db2.gz UIQCPJSZXVZMOX-UHFFFAOYSA-N -1 0 316.321 -0.057 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N(CC(=O)[O-])CC(C)C ZINC000390114402 379635441 /nfs/dbraw/zinc/63/54/41/379635441.db2.gz VIVBZDBVQXRXQN-UHFFFAOYSA-N -1 0 309.388 -0.322 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCc2cn(C)cn2)C[C@H]1C(=O)[O-] ZINC000582360568 379639655 /nfs/dbraw/zinc/63/96/55/379639655.db2.gz UAXNCGCJTNSWMG-ZYHUDNBSSA-N -1 0 322.365 -0.352 20 0 DBADRM Cc1c(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)cnn1C ZINC000119387961 379612040 /nfs/dbraw/zinc/61/20/40/379612040.db2.gz YDHRWRNBZGUDHO-UHFFFAOYSA-N -1 0 314.305 -0.417 20 0 DBADRM CCc1ccc(S(C)(=O)=O)cc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000119406912 379612132 /nfs/dbraw/zinc/61/21/32/379612132.db2.gz VEMANTYJJHGZDJ-UHFFFAOYSA-N -1 0 324.362 -0.006 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000582304114 379623720 /nfs/dbraw/zinc/62/37/20/379623720.db2.gz ANOHTKONDLLNBP-ZJUUUORDSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@@H]1CCSCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643460265 379701597 /nfs/dbraw/zinc/70/15/97/379701597.db2.gz GYRFDMRFBMVEBE-ZJUUUORDSA-N -1 0 316.379 -0.348 20 0 DBADRM Cc1occc1CN(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643457152 379686538 /nfs/dbraw/zinc/68/65/38/379686538.db2.gz KYAZVQZPTSQTOW-LLVKDONJSA-N -1 0 310.306 -0.142 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCc3ccsc3C2)CCO1 ZINC000643459681 379699503 /nfs/dbraw/zinc/69/95/03/379699503.db2.gz OOGYBCXPVKTGEM-SNVBAGLBSA-N -1 0 324.358 -0.055 20 0 DBADRM Cc1nc(S(=O)(=O)NCC2(CS(C)(=O)=O)CC2)cn1C ZINC000175321131 379715178 /nfs/dbraw/zinc/71/51/78/379715178.db2.gz LCZSGYOLKOORES-UHFFFAOYSA-N -1 0 321.424 -0.168 20 0 DBADRM CCOC(=O)c1ccsc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000610379386 379794693 /nfs/dbraw/zinc/79/46/93/379794693.db2.gz YAZYODBAUMFLFU-UHFFFAOYSA-N -1 0 324.322 -0.307 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](OC)C2)C1 ZINC000633065100 379759042 /nfs/dbraw/zinc/75/90/42/379759042.db2.gz ACLUPYAIDSQVSC-HZMBPMFUSA-N -1 0 314.338 -0.817 20 0 DBADRM O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000189383977 379778802 /nfs/dbraw/zinc/77/88/02/379778802.db2.gz ZQODTQYYUSSBTB-FBIMIBRVSA-N -1 0 316.317 -0.091 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC([C@@H]3CCOC3)C2)C1 ZINC000633068844 379780369 /nfs/dbraw/zinc/78/03/69/379780369.db2.gz ZDHTZWOBNFZDIO-WDEREUQCSA-N -1 0 310.350 -0.196 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CCO)c2)c[nH]1 ZINC000610335560 379781043 /nfs/dbraw/zinc/78/10/43/379781043.db2.gz GKHZWZYPZLLWBQ-UHFFFAOYSA-N -1 0 314.323 -0.209 20 0 DBADRM COC[C@@H](O)CCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000230180768 379868128 /nfs/dbraw/zinc/86/81/28/379868128.db2.gz XPAYYJIMOGAOSB-QMMMGPOBSA-N -1 0 318.351 -0.159 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])C1 ZINC000230094958 379868416 /nfs/dbraw/zinc/86/84/16/379868416.db2.gz SFECHTCEIJOSSC-KXUCPTDWSA-N -1 0 321.399 -0.483 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000584775142 379840829 /nfs/dbraw/zinc/84/08/29/379840829.db2.gz CLESXDMUBQXWFA-VXNVDRBHSA-N -1 0 319.339 -0.726 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000584775139 379841373 /nfs/dbraw/zinc/84/13/73/379841373.db2.gz CLESXDMUBQXWFA-APPZFPTMSA-N -1 0 319.339 -0.726 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC000584823720 379847019 /nfs/dbraw/zinc/84/70/19/379847019.db2.gz SJAPJOUZNVGRMP-NXEZZACHSA-N -1 0 312.388 -0.475 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)[C@@H](C)CO1 ZINC000223205668 379855326 /nfs/dbraw/zinc/85/53/26/379855326.db2.gz DEWIZQQNTQDQOQ-DTWKUNHWSA-N -1 0 303.340 -0.234 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1cncc(F)c1 ZINC000044260418 379869848 /nfs/dbraw/zinc/86/98/48/379869848.db2.gz YNGYCPFZGGRJJI-JTQLQIEISA-N -1 0 314.298 -0.082 20 0 DBADRM COc1ccc(OC)c(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1 ZINC000040699856 379861761 /nfs/dbraw/zinc/86/17/61/379861761.db2.gz HRMAKTWNYUQCJT-VIFPVBQESA-N -1 0 319.335 -0.182 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000227323583 379865788 /nfs/dbraw/zinc/86/57/88/379865788.db2.gz DUYCRRAULHYHJI-VHSXEESVSA-N -1 0 320.367 -0.289 20 0 DBADRM COC(=O)C1CCC(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000610585445 379814900 /nfs/dbraw/zinc/81/49/00/379814900.db2.gz HMZUSNBDIQQUTR-UHFFFAOYSA-N -1 0 309.322 -0.053 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000044617711 379867085 /nfs/dbraw/zinc/86/70/85/379867085.db2.gz JFEMGUIWKKCFIP-JTQLQIEISA-N -1 0 322.383 -0.089 20 0 DBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)N1CCc2ccccc2C1 ZINC000230065724 379867340 /nfs/dbraw/zinc/86/73/40/379867340.db2.gz QICDGFHBVVYUTQ-LBPRGKRZSA-N -1 0 314.363 -0.285 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])cc1 ZINC000230103556 379867515 /nfs/dbraw/zinc/86/75/15/379867515.db2.gz ADMBKGPEYSKULW-JTQLQIEISA-N -1 0 317.319 -0.149 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2CS3)CCO1 ZINC000643466667 379821307 /nfs/dbraw/zinc/82/13/07/379821307.db2.gz BGMCGMUGJCNMTK-CIUDSAMLSA-N -1 0 300.336 -0.985 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)C[C@H](O)C2CC2)C1 ZINC000643468612 379823191 /nfs/dbraw/zinc/82/31/91/379823191.db2.gz KDWKMGAZWZSROE-USWWRNFRSA-N -1 0 312.366 -0.215 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-] ZINC000230104561 379867921 /nfs/dbraw/zinc/86/79/21/379867921.db2.gz FMVFHGDFFNTETQ-LLVKDONJSA-N -1 0 301.320 -0.001 20 0 DBADRM CC(C)[C@@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)[O-] ZINC000236627805 379929398 /nfs/dbraw/zinc/92/93/98/379929398.db2.gz ZJKXXHWNZUNLJE-GFCCVEGCSA-N -1 0 310.354 -0.003 20 0 DBADRM CC(C)[C@@H](O)CCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000133134608 379913384 /nfs/dbraw/zinc/91/33/84/379913384.db2.gz AZOYMDDFBBFVNT-JTQLQIEISA-N -1 0 306.322 -0.252 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CCN(C)C1 ZINC000134696174 379917659 /nfs/dbraw/zinc/91/76/59/379917659.db2.gz FOWVZCHBOWVULO-ZETCQYMHSA-N -1 0 305.381 -0.088 20 0 DBADRM C[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1cnn(C)c1 ZINC000125071783 379892136 /nfs/dbraw/zinc/89/21/36/379892136.db2.gz CMQRQCGMCPDLPI-ZETCQYMHSA-N -1 0 314.305 -0.164 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)[N-]CC(F)(F)F)CCO1 ZINC000127710515 379897292 /nfs/dbraw/zinc/89/72/92/379897292.db2.gz DVPPGJAYFVLONL-ZCFIWIBFSA-N -1 0 306.262 -0.743 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)oc1C ZINC000420477028 380062669 /nfs/dbraw/zinc/06/26/69/380062669.db2.gz JFMGFTDQMUJVNP-SECBINFHSA-N -1 0 318.351 -0.359 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)oc1C ZINC000420477030 380063429 /nfs/dbraw/zinc/06/34/29/380063429.db2.gz JFMGFTDQMUJVNP-VIFPVBQESA-N -1 0 318.351 -0.359 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000420540319 380064621 /nfs/dbraw/zinc/06/46/21/380064621.db2.gz VZYRLSQGSLCAEX-AWEZNQCLSA-N -1 0 314.338 -0.233 20 0 DBADRM CCC(O)(CC)CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000420560914 380065391 /nfs/dbraw/zinc/06/53/91/380065391.db2.gz NXMHFQPUENEEKV-SNVBAGLBSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000420570893 380065449 /nfs/dbraw/zinc/06/54/49/380065449.db2.gz XDPDQRIUSDUUIR-RFAUZJTJSA-N -1 0 323.349 -0.811 20 0 DBADRM COCCN(C(=O)C(=O)NCCC(=O)[O-])[C@@H]1CCCSC1 ZINC000420595189 380068189 /nfs/dbraw/zinc/06/81/89/380068189.db2.gz DYTRQEQRRBZDPY-SNVBAGLBSA-N -1 0 318.395 -0.052 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000420604403 380068399 /nfs/dbraw/zinc/06/83/99/380068399.db2.gz XYJQYFDVMNXHRA-UHFFFAOYSA-N -1 0 321.333 -0.368 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)C(=O)N2CCC[C@@H](O)C2)cc1 ZINC000420591382 380069274 /nfs/dbraw/zinc/06/92/74/380069274.db2.gz VKZWRJCAWGEXBY-GFCCVEGCSA-N -1 0 306.318 -0.016 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)N(C)CCC(=O)[O-])CC1=O ZINC000420573437 380070703 /nfs/dbraw/zinc/07/07/03/380070703.db2.gz ZSNTYPRGBYKFFK-KXUCPTDWSA-N -1 0 311.338 -0.955 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000420572933 380070916 /nfs/dbraw/zinc/07/09/16/380070916.db2.gz YVNPEXYZHRZOEK-NXEZZACHSA-N -1 0 311.338 -0.811 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCOCC(F)F)C1 ZINC000420575989 380071048 /nfs/dbraw/zinc/07/10/48/380071048.db2.gz BKSUKKVPMAHJSB-LBPRGKRZSA-N -1 0 308.281 -0.293 20 0 DBADRM Cc1ccc(NC(=O)N[C@@H](CO)C(=O)[O-])cc1S(C)(=O)=O ZINC000572198948 380137532 /nfs/dbraw/zinc/13/75/32/380137532.db2.gz WRPGJTUWIUHXHY-VIFPVBQESA-N -1 0 316.335 -0.034 20 0 DBADRM CO[C@@H]1CCN(C(=O)NCCCn2ccnn2)[C@@H](C(=O)[O-])C1 ZINC000571741492 380118657 /nfs/dbraw/zinc/11/86/57/380118657.db2.gz YMWRWQXFZMKYIK-GHMZBOCLSA-N -1 0 311.342 -0.058 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000571881897 380123485 /nfs/dbraw/zinc/12/34/85/380123485.db2.gz GOPWZEIIMWHWOO-PGUXBMHVSA-N -1 0 312.366 -0.071 20 0 DBADRM CCn1cncc1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000571858976 380123780 /nfs/dbraw/zinc/12/37/80/380123780.db2.gz XFSLOYQTTWUPCI-UHFFFAOYSA-N -1 0 314.327 -0.829 20 0 DBADRM CCCc1nc(=NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)s[n-]1 ZINC000571961789 380127287 /nfs/dbraw/zinc/12/72/87/380127287.db2.gz NAVNIBPTQXSSBL-ZETCQYMHSA-N -1 0 324.366 -0.320 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)c2cnc3n2CCC3)CCOCC1 ZINC000572129189 380133930 /nfs/dbraw/zinc/13/39/30/380133930.db2.gz YMWNJFNXYLURNE-UHFFFAOYSA-N -1 0 315.351 -0.259 20 0 DBADRM CO[C@H](CNC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000262869769 380204557 /nfs/dbraw/zinc/20/45/57/380204557.db2.gz IZJYXYMNPZLGLX-SECBINFHSA-N -1 0 308.294 -0.898 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CCC(=O)[O-] ZINC000262324284 380182602 /nfs/dbraw/zinc/18/26/02/380182602.db2.gz SNGJFHBOIHSTMK-UHFFFAOYSA-N -1 0 316.335 -0.111 20 0 DBADRM COCC[C@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000262356005 380184845 /nfs/dbraw/zinc/18/48/45/380184845.db2.gz ZTCOJERBWKAXKZ-LBPRGKRZSA-N -1 0 319.321 -0.189 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)C1 ZINC000262348729 380185515 /nfs/dbraw/zinc/18/55/15/380185515.db2.gz YMEDDSNICSBWLN-KXUCPTDWSA-N -1 0 320.367 -0.841 20 0 DBADRM C[C@]1(C2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)NC(=O)NC1=O ZINC000262347745 380185661 /nfs/dbraw/zinc/18/56/61/380185661.db2.gz ATMWGUSRQYHHLQ-UINNMSKDSA-N -1 0 309.322 -0.456 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000262373152 380186377 /nfs/dbraw/zinc/18/63/77/380186377.db2.gz FTGAHBUHKQGWAR-UWVGGRQHSA-N -1 0 324.399 -0.348 20 0 DBADRM CCCN(CC(=O)[O-])CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000262359676 380187036 /nfs/dbraw/zinc/18/70/36/380187036.db2.gz IKIIENHJPDEYGU-UHFFFAOYSA-N -1 0 311.382 -0.136 20 0 DBADRM CN(C)C(=O)c1cc(S(=O)(=O)NCCC(=O)[O-])cn1C ZINC000262450781 380189642 /nfs/dbraw/zinc/18/96/42/380189642.db2.gz QYQWCRRLLGQSJP-UHFFFAOYSA-N -1 0 303.340 -0.520 20 0 DBADRM Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CCO2)n1 ZINC000262455800 380189842 /nfs/dbraw/zinc/18/98/42/380189842.db2.gz XEJRAXUBCWLHBS-SRVKXCTJSA-N -1 0 308.338 -0.157 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)C[C@@H]1CCOC1 ZINC000262455991 380189849 /nfs/dbraw/zinc/18/98/49/380189849.db2.gz ROZUCKFWUROHJH-MWLCHTKSSA-N -1 0 322.383 -0.736 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1CCC[C@H]1C ZINC000262463611 380192572 /nfs/dbraw/zinc/19/25/72/380192572.db2.gz SQKRMHCBPICFSP-NXEZZACHSA-N -1 0 321.399 -0.373 20 0 DBADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000262506334 380193314 /nfs/dbraw/zinc/19/33/14/380193314.db2.gz ZZWBNMQPCPHQEA-MRVPVSSYSA-N -1 0 317.367 -0.180 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)c2ccc(C(=O)[O-])nc2)CCO1 ZINC000262803378 380201967 /nfs/dbraw/zinc/20/19/67/380201967.db2.gz RYQWCDNTXUNWOE-NSHDSACASA-N -1 0 307.306 -0.243 20 0 DBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)[C@@H]1CCC[C@H]1C(=O)OC ZINC000344977622 291747823 /nfs/dbraw/zinc/74/78/23/291747823.db2.gz RSPSGCKYDVPRDK-HRDYMLBCSA-N -1 0 311.331 -0.241 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000263214357 380211812 /nfs/dbraw/zinc/21/18/12/380211812.db2.gz PIEKOYLJRWMQBC-VHSXEESVSA-N -1 0 306.384 -0.020 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263375160 380215070 /nfs/dbraw/zinc/21/50/70/380215070.db2.gz WLEJZEDHRIHLOU-UWVGGRQHSA-N -1 0 306.384 -0.020 20 0 DBADRM COc1ccnc(N2CCN(C(=O)NCCC(=O)[O-])CC2)n1 ZINC000263335468 380215486 /nfs/dbraw/zinc/21/54/86/380215486.db2.gz DHMJYJNKYAGSJA-UHFFFAOYSA-N -1 0 309.326 -0.209 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263355715 380215574 /nfs/dbraw/zinc/21/55/74/380215574.db2.gz QTUNGGNCACKFCJ-UWVGGRQHSA-N -1 0 306.384 -0.163 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000611863025 380215772 /nfs/dbraw/zinc/21/57/72/380215772.db2.gz SEENRPJNBHZJLK-MRVPVSSYSA-N -1 0 302.352 -0.118 20 0 DBADRM COC[C@@H](NC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)[O-] ZINC000263471164 380217534 /nfs/dbraw/zinc/21/75/34/380217534.db2.gz RXEFIODPTHCAEV-SECBINFHSA-N -1 0 307.306 -0.444 20 0 DBADRM COC(=O)Cc1[n-][nH]c(=O)c1C(=O)Nc1ccc(OC)nc1 ZINC000421816951 380236531 /nfs/dbraw/zinc/23/65/31/380236531.db2.gz ZLOHFTQXYXVODK-NSHDSACASA-N -1 0 306.278 -0.306 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@]1(C2CCCC2)CCNC1=O ZINC000626704767 380240640 /nfs/dbraw/zinc/24/06/40/380240640.db2.gz OELNQCGCIQAEAX-CQSZACIVSA-N -1 0 308.338 -0.282 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc(=O)n(C)[n-]1 ZINC000612015643 380325505 /nfs/dbraw/zinc/32/55/05/380325505.db2.gz CUZGMSMWOPATKV-QMMMGPOBSA-N -1 0 302.356 -0.721 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)C[C@H]1C(=O)[O-] ZINC000422551218 380290472 /nfs/dbraw/zinc/29/04/72/380290472.db2.gz DFOYLABHPSLKIG-LMLFDSFASA-N -1 0 306.384 -0.007 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C[C@H](CO)O1 ZINC000422631001 380294183 /nfs/dbraw/zinc/29/41/83/380294183.db2.gz CYTIXIPSWBGGHX-VHSXEESVSA-N -1 0 322.317 -0.069 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1=O ZINC000422603739 380294394 /nfs/dbraw/zinc/29/43/94/380294394.db2.gz MPPXFQHYEJWMDA-MRVPVSSYSA-N -1 0 323.280 -0.191 20 0 DBADRM CNC(=O)C1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000422634975 380294450 /nfs/dbraw/zinc/29/44/50/380294450.db2.gz RQXQMQCMLDJBQF-UHFFFAOYSA-N -1 0 305.290 -0.472 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC(=O)N1 ZINC000422643576 380294837 /nfs/dbraw/zinc/29/48/37/380294837.db2.gz JFXHGNMVLPBMCR-ZETCQYMHSA-N -1 0 323.280 -0.191 20 0 DBADRM COC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000422733547 380295710 /nfs/dbraw/zinc/29/57/10/380295710.db2.gz RCXDFPUEGFPQHS-ZJUUUORDSA-N -1 0 312.322 -0.669 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCCn2ccnc2)C1 ZINC000422695884 380295842 /nfs/dbraw/zinc/29/58/42/380295842.db2.gz QJDKTAPZHKOCNI-RYUDHWBXSA-N -1 0 322.365 -0.041 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000422699481 380295937 /nfs/dbraw/zinc/29/59/37/380295937.db2.gz AQUCPCQXRBAICV-WOPDTQHZSA-N -1 0 322.365 -0.043 20 0 DBADRM COC(=O)[C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC000422728352 380296161 /nfs/dbraw/zinc/29/61/61/380296161.db2.gz FWAINQUWQUSBBB-ZJUUUORDSA-N -1 0 314.338 -0.423 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCCn2cccn2)C1 ZINC000422724802 380296336 /nfs/dbraw/zinc/29/63/36/380296336.db2.gz WQNNHICNEZXORO-VXGBXAGGSA-N -1 0 322.365 -0.041 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000422769735 380298319 /nfs/dbraw/zinc/29/83/19/380298319.db2.gz PINBAECCTMTWTE-ZJUUUORDSA-N -1 0 312.322 -0.669 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C[C@H]1OC ZINC000422853456 380299987 /nfs/dbraw/zinc/29/99/87/380299987.db2.gz BXNFFMXBUVJUFO-GPCCPHFNSA-N -1 0 314.338 -0.818 20 0 DBADRM C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422853399 380300068 /nfs/dbraw/zinc/30/00/68/380300068.db2.gz SGGBOONNROXXAK-LSSIXWDNSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000422838494 380300263 /nfs/dbraw/zinc/30/02/63/380300263.db2.gz OOTOOGVWJNXLHT-DCAQKATOSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@H]1[C@@H](CO)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422853400 380300613 /nfs/dbraw/zinc/30/06/13/380300613.db2.gz SGGBOONNROXXAK-MEQWQQMJSA-N -1 0 324.377 -0.071 20 0 DBADRM CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000422839706 380300627 /nfs/dbraw/zinc/30/06/27/380300627.db2.gz AEXHXENJMOBFTL-NXEZZACHSA-N -1 0 316.354 -0.034 20 0 DBADRM COC(=O)C[C@H]1CCCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000422845548 380300665 /nfs/dbraw/zinc/30/06/65/380300665.db2.gz CFDNNSLJKKUAHJ-SECBINFHSA-N -1 0 300.311 -0.526 20 0 DBADRM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000422842481 380300821 /nfs/dbraw/zinc/30/08/21/380300821.db2.gz YHQVQHHZZCCHIZ-SRVKXCTJSA-N -1 0 312.366 -0.071 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N(C)CCCC(=O)[O-])C[C@H](C)O1 ZINC000422876306 380301404 /nfs/dbraw/zinc/30/14/04/380301404.db2.gz GCKIVGHIGZSRNQ-QWRGUYRKSA-N -1 0 316.354 -0.428 20 0 DBADRM COCCCOC1CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC000422865248 380301991 /nfs/dbraw/zinc/30/19/91/380301991.db2.gz XKHMJYBPFSYBTI-JTQLQIEISA-N -1 0 316.354 -0.571 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C[C@@H](C)O1 ZINC000422878704 380302008 /nfs/dbraw/zinc/30/20/08/380302008.db2.gz JSKGFAGVVAYRBQ-AXFHLTTASA-N -1 0 316.354 -0.572 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N(C)CCCC(=O)[O-])C[C@@H]1OC ZINC000422869164 380302185 /nfs/dbraw/zinc/30/21/85/380302185.db2.gz WUJBSQBLXUMMNR-AOOOYVTPSA-N -1 0 302.327 -0.818 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C[C@H](C)O1 ZINC000422878705 380302408 /nfs/dbraw/zinc/30/24/08/380302408.db2.gz JSKGFAGVVAYRBQ-DCAQKATOSA-N -1 0 316.354 -0.572 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])[C@H]1C ZINC000422918799 380303120 /nfs/dbraw/zinc/30/31/20/380303120.db2.gz IWDREOBMUJIWFW-KXUCPTDWSA-N -1 0 314.338 -0.425 20 0 DBADRM CN(CC(C)(C)CO)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000422925540 380303140 /nfs/dbraw/zinc/30/31/40/380303140.db2.gz AZNHZTLWASVQNT-SNVBAGLBSA-N -1 0 300.355 -0.214 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@@H]1C ZINC000422918798 380303192 /nfs/dbraw/zinc/30/31/92/380303192.db2.gz IWDREOBMUJIWFW-IVZWLZJFSA-N -1 0 314.338 -0.425 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)[C@H]1C ZINC000422923319 380303515 /nfs/dbraw/zinc/30/35/15/380303515.db2.gz RQWNQRDNIQUYBA-LPEHRKFASA-N -1 0 312.322 -0.671 20 0 DBADRM C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000422929543 380303552 /nfs/dbraw/zinc/30/35/52/380303552.db2.gz QKZYVWFXTRLWDM-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000422929544 380303668 /nfs/dbraw/zinc/30/36/68/380303668.db2.gz QKZYVWFXTRLWDM-WOPDTQHZSA-N -1 0 312.366 -0.071 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N[C@@H]1CCN(C)C1=O)C(=O)[O-] ZINC000424508509 380396294 /nfs/dbraw/zinc/39/62/94/380396294.db2.gz VVBVHWWMNBMLAV-SECBINFHSA-N -1 0 313.354 -0.660 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000533188820 380383969 /nfs/dbraw/zinc/38/39/69/380383969.db2.gz VCZWMCRBGDILIE-SNVBAGLBSA-N -1 0 304.368 -0.265 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@H](C)C[S@](C)=O)C(=O)[O-] ZINC000424491223 380390512 /nfs/dbraw/zinc/39/05/12/380390512.db2.gz XHXZLYFGGDTTNQ-QDXVKYEASA-N -1 0 320.411 -0.267 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N(C)CCC(=O)NC)C(=O)[O-] ZINC000424498726 380394562 /nfs/dbraw/zinc/39/45/62/380394562.db2.gz XLMXTKOPHSBTFK-UHFFFAOYSA-N -1 0 315.370 -0.412 20 0 DBADRM C[C@H]1CN(C(=O)NCCN2C(=O)CNC2=O)CC[C@H]1C(=O)[O-] ZINC000626753299 380343698 /nfs/dbraw/zinc/34/36/98/380343698.db2.gz JVHDLVBUZZVKMG-DTWKUNHWSA-N -1 0 312.326 -0.710 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)NCCCC(=O)[O-])CCO1 ZINC000626765763 380351192 /nfs/dbraw/zinc/35/11/92/380351192.db2.gz LWGQSOWBLMZSRM-VIFPVBQESA-N -1 0 302.331 -0.809 20 0 DBADRM CN(C(=O)NCC1(C(=O)[O-])CCOCC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626770161 380355994 /nfs/dbraw/zinc/35/59/94/380355994.db2.gz FGXYXBIVYWLDMO-AOOOYVTPSA-N -1 0 313.354 -0.227 20 0 DBADRM CCC[C@@H](NC(=O)c1cnn(C[C@H](O)CO)c1)c1nnn[n-]1 ZINC000612060078 380356004 /nfs/dbraw/zinc/35/60/04/380356004.db2.gz HIFCHDGOOQJRES-VHSXEESVSA-N -1 0 309.330 -0.979 20 0 DBADRM CCC[C@H](NC(=O)[C@H](CCC)S(N)(=O)=O)c1nnn[n-]1 ZINC000612061409 380356613 /nfs/dbraw/zinc/35/66/13/380356613.db2.gz PFLGYHPZVBMVCG-YUMQZZPRSA-N -1 0 304.376 -0.386 20 0 DBADRM CCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)c1nnn[n-]1 ZINC000612062165 380356863 /nfs/dbraw/zinc/35/68/63/380356863.db2.gz TUUHAGUXBNGXAZ-SFYZADRCSA-N -1 0 304.376 -0.515 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)NC[C@H](C)C(=O)[O-])CCO1 ZINC000626770590 380356977 /nfs/dbraw/zinc/35/69/77/380356977.db2.gz AWMZGMJPAOMCRP-IUCAKERBSA-N -1 0 302.331 -0.954 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CCO1 ZINC000626774477 380360503 /nfs/dbraw/zinc/36/05/03/380360503.db2.gz YNVCFFVMQORJMM-QWRGUYRKSA-N -1 0 313.354 -0.227 20 0 DBADRM CCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000035237090 380362793 /nfs/dbraw/zinc/36/27/93/380362793.db2.gz JIYRSGIQQNRYGB-UHFFFAOYSA-N -1 0 316.335 -0.187 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N(CCO)CC2CC2)c1 ZINC000612712784 380435685 /nfs/dbraw/zinc/43/56/85/380435685.db2.gz XBIYPGVRLJOXNT-UHFFFAOYSA-N -1 0 314.363 -0.116 20 0 DBADRM C[C@H](CCO)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612439121 380402244 /nfs/dbraw/zinc/40/22/44/380402244.db2.gz FZUGXIWUWSOESH-MRVPVSSYSA-N -1 0 302.352 -0.212 20 0 DBADRM CCC[C@H](O)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612425383 380403573 /nfs/dbraw/zinc/40/35/73/380403573.db2.gz ZQXCQZJDQIKBPU-QMMMGPOBSA-N -1 0 302.352 -0.070 20 0 DBADRM CC(C)[C@@H](O)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612424537 380403703 /nfs/dbraw/zinc/40/37/03/380403703.db2.gz AGMQCRQFKVTHTL-NSHDSACASA-N -1 0 302.352 -0.214 20 0 DBADRM CC[C@H](O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612480715 380406989 /nfs/dbraw/zinc/40/69/89/380406989.db2.gz XFCJNQJTWDLUOW-QMMMGPOBSA-N -1 0 302.352 -0.070 20 0 DBADRM COCC1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000612518864 380413814 /nfs/dbraw/zinc/41/38/14/380413814.db2.gz DNFDCSNNLFWIKN-UHFFFAOYSA-N -1 0 300.336 -0.052 20 0 DBADRM C[C@@H](O)C(C)(C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613172284 380503108 /nfs/dbraw/zinc/50/31/08/380503108.db2.gz CKFCDGULFLWLDU-SSDOTTSWSA-N -1 0 302.352 -0.071 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000628540260 380516188 /nfs/dbraw/zinc/51/61/88/380516188.db2.gz WBKNXNZOIHZWOG-UHFFFAOYSA-N -1 0 319.412 -0.654 20 0 DBADRM CC[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@H]1O ZINC000613098181 380477251 /nfs/dbraw/zinc/47/72/51/380477251.db2.gz QDNSBMJFBNMPGD-PRHODGIISA-N -1 0 314.363 -0.118 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])c1 ZINC000629337639 380630938 /nfs/dbraw/zinc/63/09/38/380630938.db2.gz AZJPNGOWCVILNB-UWVGGRQHSA-N -1 0 317.367 -0.032 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000629340998 380631922 /nfs/dbraw/zinc/63/19/22/380631922.db2.gz SOGJRZIDIFUGQF-RKDXNWHRSA-N -1 0 318.355 -0.637 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])n1 ZINC000629340318 380633645 /nfs/dbraw/zinc/63/36/45/380633645.db2.gz MGCPTZXMPGJYLG-ZJUUUORDSA-N -1 0 317.367 -0.032 20 0 DBADRM COC[C@@]1(C)CN(S(=O)(=O)N(C)CCC(=O)[O-])CCO1 ZINC000629346785 380634908 /nfs/dbraw/zinc/63/49/08/380634908.db2.gz VRIQFJCWQLSKNI-LLVKDONJSA-N -1 0 310.372 -0.625 20 0 DBADRM O=C([O-])c1cncc(N2CCN(S(=O)(=O)C3CC3)CC2)n1 ZINC000629382725 380635629 /nfs/dbraw/zinc/63/56/29/380635629.db2.gz OKBLCMXMZSVXDW-UHFFFAOYSA-N -1 0 312.351 -0.211 20 0 DBADRM CN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629213395 380612144 /nfs/dbraw/zinc/61/21/44/380612144.db2.gz CFKZAVMFDGQJBX-WRXNHJIOSA-N -1 0 317.305 -0.228 20 0 DBADRM CCO[C@H](CS(=O)(=O)[N-]c1ccn(CC(N)=O)n1)C1CC1 ZINC000629287604 380621703 /nfs/dbraw/zinc/62/17/03/380621703.db2.gz REVPSHPLRUKHAL-SNVBAGLBSA-N -1 0 316.383 -0.075 20 0 DBADRM CCO[C@H](CS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])C1CC1 ZINC000629292464 380622429 /nfs/dbraw/zinc/62/24/29/380622429.db2.gz NABGZXYNVAJVKC-RKDXNWHRSA-N -1 0 308.356 -0.951 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC000632568683 380622656 /nfs/dbraw/zinc/62/26/56/380622656.db2.gz NONCTTXYBVVGDM-SECBINFHSA-N -1 0 301.372 -0.214 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)NCC2 ZINC000629288322 380622855 /nfs/dbraw/zinc/62/28/55/380622855.db2.gz ANORADJIRQYQDB-UHFFFAOYSA-N -1 0 307.335 -0.098 20 0 DBADRM Cc1ncc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)n1C ZINC000629303409 380623727 /nfs/dbraw/zinc/62/37/27/380623727.db2.gz LSBFLUCDRJREQJ-UHFFFAOYSA-N -1 0 303.340 -0.359 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)CO1 ZINC000629303740 380623755 /nfs/dbraw/zinc/62/37/55/380623755.db2.gz BETYVAYOHKFGAH-VIFPVBQESA-N -1 0 307.368 -0.205 20 0 DBADRM C[C@@H]1CN(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)C[C@H](C)O1 ZINC000629302349 380623854 /nfs/dbraw/zinc/62/38/54/380623854.db2.gz CJULCUULLJAITE-YTWAJWBKSA-N -1 0 313.354 -0.134 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)CO1 ZINC000629301160 380624002 /nfs/dbraw/zinc/62/40/02/380624002.db2.gz AARCTXORRZWVOS-QMMMGPOBSA-N -1 0 318.355 -0.537 20 0 DBADRM CCO[C@H](CS(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1)C1CC1 ZINC000629303504 380624077 /nfs/dbraw/zinc/62/40/77/380624077.db2.gz KISVDTALKCOESW-GHMZBOCLSA-N -1 0 307.368 -0.083 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N(CCO)CCC(=O)[O-])C1CC1 ZINC000629299256 380624295 /nfs/dbraw/zinc/62/42/95/380624295.db2.gz OXLXLXYPAVZSLZ-NSHDSACASA-N -1 0 309.384 -0.100 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cnc(C)n1C)C(=O)[O-] ZINC000629295742 380624374 /nfs/dbraw/zinc/62/43/74/380624374.db2.gz ODDIXLCLZQGRCM-PSASIEDQSA-N -1 0 305.356 -0.379 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cnc(C)n2C)[C@](C)(C(=O)[O-])C1 ZINC000629307716 380625147 /nfs/dbraw/zinc/62/51/47/380625147.db2.gz HBLMMCXYFHWZMF-CABZTGNLSA-N -1 0 317.367 -0.019 20 0 DBADRM Cc1ccn2ncc(C(=O)NCc3cn(CC(=O)[O-])nn3)c2n1 ZINC000439713312 380625203 /nfs/dbraw/zinc/62/52/03/380625203.db2.gz VAXJCEXUXMPARQ-UHFFFAOYSA-N -1 0 315.293 -0.356 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2cnc(C)n2C)[C@](C)(C(=O)[O-])C1 ZINC000629307718 380625601 /nfs/dbraw/zinc/62/56/01/380625601.db2.gz HBLMMCXYFHWZMF-SKDRFNHKSA-N -1 0 317.367 -0.019 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC000629305483 380625769 /nfs/dbraw/zinc/62/57/69/380625769.db2.gz UHNZDDQBZFEACW-NKWVEPMBSA-N -1 0 314.310 -0.413 20 0 DBADRM COCC1(S(=O)(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1 ZINC000629310127 380627204 /nfs/dbraw/zinc/62/72/04/380627204.db2.gz XFMMIPUQVSLYID-UHFFFAOYSA-N -1 0 320.411 -0.024 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000629777512 380718184 /nfs/dbraw/zinc/71/81/84/380718184.db2.gz SHWYSFDGDCFXEX-ZETOZRRWSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000195455642 380719185 /nfs/dbraw/zinc/71/91/85/380719185.db2.gz YTKVNSPNYDIKMP-JGVFFNPUSA-N -1 0 306.306 -0.145 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CF)C2)CC[C@@H]1C(=O)[O-] ZINC000629781098 380719851 /nfs/dbraw/zinc/71/98/51/380719851.db2.gz JUGHDKLWEMCQCQ-VWYCJHECSA-N -1 0 316.329 -0.248 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000629782362 380721057 /nfs/dbraw/zinc/72/10/57/380721057.db2.gz VGVNTFLEAMOYMX-RHYQMDGZSA-N -1 0 312.366 -0.215 20 0 DBADRM CC(=O)NC[C@@H]1CCCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000629863229 380742727 /nfs/dbraw/zinc/74/27/27/380742727.db2.gz WHHORAHNRJXKGX-JTQLQIEISA-N -1 0 308.338 -0.383 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000629890426 380748657 /nfs/dbraw/zinc/74/86/57/380748657.db2.gz KSGMPGJOHYZIBN-VIFPVBQESA-N -1 0 316.383 -0.175 20 0 DBADRM Cc1nc(=NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)n(C)[nH]1 ZINC000629980126 380801386 /nfs/dbraw/zinc/80/13/86/380801386.db2.gz AHJGWCLEBCPUTP-UHFFFAOYSA-N -1 0 310.339 -0.436 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000630008922 380814428 /nfs/dbraw/zinc/81/44/28/380814428.db2.gz FCQANPQHPOWSFN-MRVPVSSYSA-N -1 0 320.309 -0.480 20 0 DBADRM CN1C(=O)C[C@H](NS(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)C1=O ZINC000641482474 380924165 /nfs/dbraw/zinc/92/41/65/380924165.db2.gz QAQNCIBIDQBPST-NKWVEPMBSA-N -1 0 310.322 -0.046 20 0 DBADRM CN1C(=O)C[C@@H](NS(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)C1=O ZINC000641482475 380924614 /nfs/dbraw/zinc/92/46/14/380924614.db2.gz QAQNCIBIDQBPST-RNFRBKRXSA-N -1 0 310.322 -0.046 20 0 DBADRM COCC[C@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000312168527 381050292 /nfs/dbraw/zinc/05/02/92/381050292.db2.gz XBRCPDMEXBEGQZ-SSDOTTSWSA-N -1 0 324.380 -0.395 20 0 DBADRM CO[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000227278878 381083217 /nfs/dbraw/zinc/08/32/17/381083217.db2.gz JFTQORVVJFCOQM-JTQLQIEISA-N -1 0 301.320 -0.081 20 0 DBADRM CO[C@@H](CNC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)[O-] ZINC000227277522 381083470 /nfs/dbraw/zinc/08/34/70/381083470.db2.gz OUBZGPRSLVVVLJ-JTQLQIEISA-N -1 0 316.335 -0.113 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]c1ccc(=O)[nH]n1 ZINC000227883069 381089732 /nfs/dbraw/zinc/08/97/32/381089732.db2.gz WXQXQVDDCUYLDY-UHFFFAOYSA-N -1 0 316.320 -0.186 20 0 DBADRM COC[C@@H](O)CC[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000231520427 381104803 /nfs/dbraw/zinc/10/48/03/381104803.db2.gz BCDJPEDSXLQKRI-ZETCQYMHSA-N -1 0 324.380 -0.395 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(F)(F)CO ZINC000231781128 381105785 /nfs/dbraw/zinc/10/57/85/381105785.db2.gz RYRIYBHCJIHBMF-UHFFFAOYSA-N -1 0 313.282 -0.508 20 0 DBADRM CCN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000231816271 381106279 /nfs/dbraw/zinc/10/62/79/381106279.db2.gz CUPYBDKORURHKW-UHFFFAOYSA-N -1 0 316.335 -0.111 20 0 DBADRM C[C@@H](O)C[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613419071 381075164 /nfs/dbraw/zinc/07/51/64/381075164.db2.gz NTKUEOHPJDQOOH-JGVFFNPUSA-N -1 0 302.352 -0.071 20 0 DBADRM C[C@H](C[C@H](C)O)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613419072 381076077 /nfs/dbraw/zinc/07/60/77/381076077.db2.gz NTKUEOHPJDQOOH-SFYZADRCSA-N -1 0 302.352 -0.071 20 0 DBADRM CCC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(N)=O ZINC000627205077 381145327 /nfs/dbraw/zinc/14/53/27/381145327.db2.gz LTNDPHZCDVGEQY-VIFPVBQESA-N -1 0 314.367 -0.163 20 0 DBADRM O=C(N[C@@H]1CCCCNC1=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000054002869 381163347 /nfs/dbraw/zinc/16/33/47/381163347.db2.gz YZWNUMFHRFUAPO-SECBINFHSA-N -1 0 317.305 -0.578 20 0 DBADRM NC(=O)C1(CNC(=O)c2ccc(C(=O)[O-])cn2)CCOCC1 ZINC000613650595 381163466 /nfs/dbraw/zinc/16/34/66/381163466.db2.gz HQYAMPNBKNTBSM-UHFFFAOYSA-N -1 0 307.306 -0.208 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000613474202 381126050 /nfs/dbraw/zinc/12/60/50/381126050.db2.gz FYXHAFWBZRIFBO-JGVFFNPUSA-N -1 0 304.376 -0.911 20 0 DBADRM CO[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCO1 ZINC000613819092 381196348 /nfs/dbraw/zinc/19/63/48/381196348.db2.gz GTAQFBQEXQIHTR-NSHDSACASA-N -1 0 316.335 -0.516 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CC[C@H](CO)[C@H](O)C1 ZINC000613907496 381204713 /nfs/dbraw/zinc/20/47/13/381204713.db2.gz NNEUXWTYLMYKFN-VXGBXAGGSA-N -1 0 319.317 -0.155 20 0 DBADRM O=C(N[C@@H](CO)CN1CCOCC1)c1s[n-]c(=O)c1Cl ZINC000614411949 381252050 /nfs/dbraw/zinc/25/20/50/381252050.db2.gz HKVBGFIEAPRXHX-SSDOTTSWSA-N -1 0 321.786 -0.075 20 0 DBADRM CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000530143487 381292806 /nfs/dbraw/zinc/29/28/06/381292806.db2.gz NDJJAGXPUOCTRZ-OCAPTIKFSA-N -1 0 315.351 -0.392 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)[C@@H]2CCOC2)CC1 ZINC000530140894 381292819 /nfs/dbraw/zinc/29/28/19/381292819.db2.gz NCKGYHSNVNAVJK-SNVBAGLBSA-N -1 0 306.384 -0.414 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CC[C@](OC)(C(=O)[O-])C1)C1CC1 ZINC000530151289 381293623 /nfs/dbraw/zinc/29/36/23/381293623.db2.gz IUEBYLQDTXFISD-ZYHUDNBSSA-N -1 0 307.368 -0.083 20 0 DBADRM CCn1nccc1S(=O)(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC000530152680 381293727 /nfs/dbraw/zinc/29/37/27/381293727.db2.gz MEARQYWVOIWKJK-LLVKDONJSA-N -1 0 303.340 -0.233 20 0 DBADRM CO[C@@H]1CC[C@H](NS(=O)(=O)c2c(C(=O)[O-])cnn2C)C1 ZINC000530148500 381294320 /nfs/dbraw/zinc/29/43/20/381294320.db2.gz GYIJZUYRBAXNQQ-JGVFFNPUSA-N -1 0 303.340 -0.036 20 0 DBADRM CN(C[C@@H]1CCOC1)S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530151307 381294403 /nfs/dbraw/zinc/29/44/03/381294403.db2.gz YNRRCQXYOAEKCQ-QMMMGPOBSA-N -1 0 303.340 -0.225 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000530149441 381294419 /nfs/dbraw/zinc/29/44/19/381294419.db2.gz HZUCVOVSOCMLNA-CKYFFXLPSA-N -1 0 322.383 -0.484 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N1CC[C@@]2(CCOC2)C1 ZINC000530148374 381294665 /nfs/dbraw/zinc/29/46/65/381294665.db2.gz FJPXTMPNROCWJU-GFCCVEGCSA-N -1 0 315.351 -0.081 20 0 DBADRM COCCOC1CN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)C1 ZINC000530154792 381295928 /nfs/dbraw/zinc/29/59/28/381295928.db2.gz OWLLSYOTUCPTER-UHFFFAOYSA-N -1 0 319.339 -0.846 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000630101211 381322332 /nfs/dbraw/zinc/32/23/32/381322332.db2.gz ZUWSFPLEEMXPCW-UHFFFAOYSA-N -1 0 316.321 -0.280 20 0 DBADRM CCN(C(=O)Cn1cc(C(=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000630108525 381322642 /nfs/dbraw/zinc/32/26/42/381322642.db2.gz YJADZWXSYCRHML-SNVBAGLBSA-N -1 0 315.351 -0.383 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N(C)CC(=O)N2CCOCC2)O[C@H]1C(=O)[O-] ZINC000630107488 381323557 /nfs/dbraw/zinc/32/35/57/381323557.db2.gz MYDZUALPVLXBIB-CKYFFXLPSA-N -1 0 314.338 -0.818 20 0 DBADRM CC(C)(CNC(=O)Cn1cc(C(=O)[O-])cn1)S(C)(=O)=O ZINC000630115111 381324475 /nfs/dbraw/zinc/32/44/75/381324475.db2.gz CIVIFNJNSSTWDN-UHFFFAOYSA-N -1 0 303.340 -0.479 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC000630118353 381324478 /nfs/dbraw/zinc/32/44/78/381324478.db2.gz HTWOKXZQRPLEMP-RKDXNWHRSA-N -1 0 317.367 -0.139 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CCO1 ZINC000630119252 381324723 /nfs/dbraw/zinc/32/47/23/381324723.db2.gz SOKSAYUJHKWHIX-SASUGWTJSA-N -1 0 314.338 -0.772 20 0 DBADRM CCN(C(=O)Cn1cc(C(=O)[O-])cn1)[C@H](C)CS(C)(=O)=O ZINC000630118454 381324925 /nfs/dbraw/zinc/32/49/25/381324925.db2.gz JLJFXMXZPSTRQZ-SECBINFHSA-N -1 0 317.367 -0.137 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000538223397 381325280 /nfs/dbraw/zinc/32/52/80/381325280.db2.gz LIQYXHDQUWMMCF-SECBINFHSA-N -1 0 316.387 -0.813 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC[C@H](NS(C)(=O)=O)C2)O[C@H]1C(=O)[O-] ZINC000630119976 381326308 /nfs/dbraw/zinc/32/63/08/381326308.db2.gz PANHVHXIVPWGOQ-UTINFBMNSA-N -1 0 320.367 -0.985 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)CC1=O ZINC000630123648 381326488 /nfs/dbraw/zinc/32/64/88/381326488.db2.gz PPZOSTQMAWLOKS-MSLSCSOGSA-N -1 0 310.350 -0.010 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC000630119725 381326570 /nfs/dbraw/zinc/32/65/70/381326570.db2.gz ZWLUQWQANYHUQJ-VIFPVBQESA-N -1 0 317.367 -0.137 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)Cn2cc(C(=O)[O-])cn2)C1=O ZINC000630123002 381326584 /nfs/dbraw/zinc/32/65/84/381326584.db2.gz OHFBOFUWDDNIQW-SECBINFHSA-N -1 0 308.294 -0.767 20 0 DBADRM Cc1c([C@@H](NS(=O)(=O)c2cnn(C)c2)C(=O)[O-])cnn1C ZINC000530383098 381310241 /nfs/dbraw/zinc/31/02/41/381310241.db2.gz MFILDTZSXGCVDS-SNVBAGLBSA-N -1 0 313.339 -0.434 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCCn2ccnc2)CC[C@H]1C(=O)[O-] ZINC000627260526 381318066 /nfs/dbraw/zinc/31/80/66/381318066.db2.gz JVKVUJBUZOIHLQ-VXGBXAGGSA-N -1 0 322.365 -0.041 20 0 DBADRM CN(CCCNC(=O)c1cncc(C(=O)[O-])c1)S(C)(=O)=O ZINC000630150472 381348690 /nfs/dbraw/zinc/34/86/90/381348690.db2.gz UITFBDRZJJWFMW-UHFFFAOYSA-N -1 0 315.351 -0.209 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1cncn1C ZINC000630158032 381351767 /nfs/dbraw/zinc/35/17/67/381351767.db2.gz SGCIJTLUTACBLS-JTQLQIEISA-N -1 0 308.338 -0.185 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)Cn1ccccc1=O)C(=O)[O-] ZINC000630171377 381352463 /nfs/dbraw/zinc/35/24/63/381352463.db2.gz STZLEDGMYFNIFV-NSHDSACASA-N -1 0 323.349 -0.420 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[C@H](C)C(=O)[O-] ZINC000630175718 381353720 /nfs/dbraw/zinc/35/37/20/381353720.db2.gz KDQQLRITBFYWNQ-AEJSXWLSSA-N -1 0 306.384 -0.117 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000630173663 381354624 /nfs/dbraw/zinc/35/46/24/381354624.db2.gz RQQHYFJAHRIYKE-MRVPVSSYSA-N -1 0 305.294 -0.321 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000630182143 381356392 /nfs/dbraw/zinc/35/63/92/381356392.db2.gz AUKONXQIXLQQBM-QMTHXVAHSA-N -1 0 309.322 -0.012 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000630182136 381357075 /nfs/dbraw/zinc/35/70/75/381357075.db2.gz AUKONXQIXLQQBM-HZMBPMFUSA-N -1 0 309.322 -0.012 20 0 DBADRM CC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)[O-] ZINC000539572063 381357323 /nfs/dbraw/zinc/35/73/23/381357323.db2.gz XDYOUIDHECOVIA-MRVPVSSYSA-N -1 0 303.340 -0.142 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]2CCC[C@H]21 ZINC000630285669 381378682 /nfs/dbraw/zinc/37/86/82/381378682.db2.gz ROWOOWAKDKEKKX-VLEAKVRGSA-N -1 0 316.379 -0.220 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN(c3nccnn3)CC2)O[C@H]1C(=O)[O-] ZINC000630229953 381366752 /nfs/dbraw/zinc/36/67/52/381366752.db2.gz BUJCUPBHSQVSGG-GMTAPVOTSA-N -1 0 321.337 -0.602 20 0 DBADRM COCCN(CCO)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000540423248 381367592 /nfs/dbraw/zinc/36/75/92/381367592.db2.gz GPERFOKCKXSAMH-UHFFFAOYSA-N -1 0 322.321 -0.175 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(c3nccnn3)CC2)O1 ZINC000630231225 381368944 /nfs/dbraw/zinc/36/89/44/381368944.db2.gz VDCPUHJIKCWAHR-ZJUUUORDSA-N -1 0 307.310 -0.848 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000630236502 381369590 /nfs/dbraw/zinc/36/95/90/381369590.db2.gz RJAKBVLNUOFVTB-UHFFFAOYSA-N -1 0 304.368 -0.266 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000630281055 381379278 /nfs/dbraw/zinc/37/92/78/381379278.db2.gz DHLIONNZALCTPB-GARJFASQSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@H](C(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-])S(C)(=O)=O ZINC000630278197 381379387 /nfs/dbraw/zinc/37/93/87/381379387.db2.gz SYYKBTFUPGGLAN-BBBLOLIVSA-N -1 0 307.368 -0.194 20 0 DBADRM COc1cncc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000540983314 381375169 /nfs/dbraw/zinc/37/51/69/381375169.db2.gz RITZDIDFTPAPAW-LDYMZIIASA-N -1 0 316.335 -0.142 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000630250110 381375733 /nfs/dbraw/zinc/37/57/33/381375733.db2.gz QVDGDSYAZFOORM-JOYOIKCWSA-N -1 0 320.367 -0.888 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC000630256502 381376827 /nfs/dbraw/zinc/37/68/27/381376827.db2.gz UREUZQBORLDKOY-ZDUSSCGKSA-N -1 0 311.342 -0.327 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC000630256501 381377539 /nfs/dbraw/zinc/37/75/39/381377539.db2.gz UREUZQBORLDKOY-CYBMUJFWSA-N -1 0 311.342 -0.327 20 0 DBADRM Cc1nc2ncnn2c(C)c1CCC(=O)NCCOCC(=O)[O-] ZINC000630262205 381377636 /nfs/dbraw/zinc/37/76/36/381377636.db2.gz KCBYUYDSXBIWDZ-UHFFFAOYSA-N -1 0 321.337 -0.109 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)NCCOCC(=O)[O-])c1 ZINC000630261863 381377644 /nfs/dbraw/zinc/37/76/44/381377644.db2.gz FGYJLNHZVXAXAD-UHFFFAOYSA-N -1 0 322.364 -0.513 20 0 DBADRM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000543636023 381412860 /nfs/dbraw/zinc/41/28/60/381412860.db2.gz ASMIQVDRYPIPON-UHFFFAOYSA-N -1 0 314.348 -0.075 20 0 DBADRM O=C(CC(=O)N1CCC[C@H](c2nnn[n-]2)C1)NCC(F)(F)F ZINC000543721055 381414039 /nfs/dbraw/zinc/41/40/39/381414039.db2.gz JIASRFVFEPSIFQ-ZETCQYMHSA-N -1 0 320.275 -0.026 20 0 DBADRM CN(CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21)S(C)(=O)=O ZINC000630283329 381379839 /nfs/dbraw/zinc/37/98/39/381379839.db2.gz SQYOIOGZGJQOLL-GARJFASQSA-N -1 0 318.395 -0.020 20 0 DBADRM CC(C)(C)n1cnc(=NC(=O)NCCNc2cnccn2)[n-]1 ZINC000541507917 381381034 /nfs/dbraw/zinc/38/10/34/381381034.db2.gz KEJSPJSMFQGCHV-UHFFFAOYSA-N -1 0 304.358 -0.100 20 0 DBADRM CO[C@H]1CN(C(=O)CCCS(C)(=O)=O)[C@](C)(C(=O)[O-])C1 ZINC000630307585 381385924 /nfs/dbraw/zinc/38/59/24/381385924.db2.gz ALFONZZNJPDTIE-SKDRFNHKSA-N -1 0 307.368 -0.098 20 0 DBADRM CO[C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)[C@](C)(C(=O)[O-])C1 ZINC000630312471 381387749 /nfs/dbraw/zinc/38/77/49/381387749.db2.gz OVUWCWXAZRTXFK-CABZTGNLSA-N -1 0 307.368 -0.100 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000630313704 381388399 /nfs/dbraw/zinc/38/83/99/381388399.db2.gz KEKMXRUSZAZZJX-MNOVXSKESA-N -1 0 313.354 -0.612 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)CCCOC1 ZINC000630335302 381389767 /nfs/dbraw/zinc/38/97/67/381389767.db2.gz HSUKANYPGKQGBI-BMIGLBTASA-N -1 0 310.350 -0.005 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)[C@](C)(C(=O)[O-])C1 ZINC000630315940 381390241 /nfs/dbraw/zinc/39/02/41/381390241.db2.gz ZNAKRGPDWTYWJL-PTRXPTGYSA-N -1 0 305.352 -0.488 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000630441843 381416332 /nfs/dbraw/zinc/41/63/32/381416332.db2.gz BTOUEBPDSOOYKQ-SNVBAGLBSA-N -1 0 304.368 -0.124 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000627267564 381393402 /nfs/dbraw/zinc/39/34/02/381393402.db2.gz PVGLHCXHXJSNED-MNOVXSKESA-N -1 0 316.354 -0.665 20 0 DBADRM C[C@@H](CN(C)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC000630444028 381416499 /nfs/dbraw/zinc/41/64/99/381416499.db2.gz RVYCXDZBOVCYIP-WCBMZHEXSA-N -1 0 304.368 -0.268 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2cnn(C)c2)CC[C@H]1C(=O)[O-] ZINC000627268185 381422057 /nfs/dbraw/zinc/42/20/57/381422057.db2.gz YNQJXTBXANJBMX-MWLCHTKSSA-N -1 0 308.338 -0.395 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N(CC(=O)[O-])C2CCC2)CC1=O ZINC000630445451 381419759 /nfs/dbraw/zinc/41/97/59/381419759.db2.gz IFQIFHBRCHCVFB-JTQLQIEISA-N -1 0 304.368 -0.124 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)c2c[nH]c(C)n2)C(=O)[O-])c1 ZINC000547551421 381484920 /nfs/dbraw/zinc/48/49/20/381484920.db2.gz VWEZRPKUDKFONH-VIFPVBQESA-N -1 0 313.339 -0.345 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)nc1C ZINC000547552737 381485201 /nfs/dbraw/zinc/48/52/01/381485201.db2.gz JZQQPXKQGKKOQG-MWLCHTKSSA-N -1 0 317.367 -0.021 20 0 DBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000547548902 381485314 /nfs/dbraw/zinc/48/53/14/381485314.db2.gz USAACSGWCGEGID-KWQFWETISA-N -1 0 316.383 -0.030 20 0 DBADRM COCc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc1 ZINC000547552852 381485505 /nfs/dbraw/zinc/48/55/05/381485505.db2.gz ORPUYXJMEPEULG-NSHDSACASA-N -1 0 303.336 -0.053 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)[C@H]2CCOC2)C(=O)[O-])c1 ZINC000547556718 381484545 /nfs/dbraw/zinc/48/45/45/381484545.db2.gz CFMWNJAUIPQPIX-UWVGGRQHSA-N -1 0 303.340 -0.647 20 0 DBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000547548900 381484778 /nfs/dbraw/zinc/48/47/78/381484778.db2.gz USAACSGWCGEGID-GZMMTYOYSA-N -1 0 316.383 -0.030 20 0 DBADRM Cc1cc(C)n(C[C@H](NS(=O)(=O)N2CCCC2)C(=O)[O-])n1 ZINC000547553001 381484833 /nfs/dbraw/zinc/48/48/33/381484833.db2.gz MNLQHPVHTZLRIB-NSHDSACASA-N -1 0 316.383 -0.117 20 0 DBADRM COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000547555829 381484881 /nfs/dbraw/zinc/48/48/81/381484881.db2.gz MBRMOEKAKYYJQB-VIFPVBQESA-N -1 0 321.282 -0.664 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])CCO1 ZINC000547917052 381503907 /nfs/dbraw/zinc/50/39/07/381503907.db2.gz ZYOOIRJGSIFCMO-SECBINFHSA-N -1 0 308.356 -0.873 20 0 DBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000547930982 381504102 /nfs/dbraw/zinc/50/41/02/381504102.db2.gz CSTWCJJGMOSYOU-UGAFFITFSA-N -1 0 324.424 -0.521 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])c1 ZINC000548214512 381520380 /nfs/dbraw/zinc/52/03/80/381520380.db2.gz XUMVBTQHVMKALU-SSDOTTSWSA-N -1 0 307.280 -0.556 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])C1 ZINC000547929909 381504725 /nfs/dbraw/zinc/50/47/25/381504725.db2.gz ATAMNAVXFLKMOS-CXNNERTKSA-N -1 0 310.397 -0.910 20 0 DBADRM COc1cccc(CS(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000547908722 381504748 /nfs/dbraw/zinc/50/47/48/381504748.db2.gz WMNQSQAYCSQKGO-UHFFFAOYSA-N -1 0 303.336 -0.096 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000547924268 381504882 /nfs/dbraw/zinc/50/48/82/381504882.db2.gz VTXCQORDMXTIRE-OPRDCNLKSA-N -1 0 319.383 -0.634 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000547907463 381504931 /nfs/dbraw/zinc/50/49/31/381504931.db2.gz QNSUBDATALOBMR-MNOVXSKESA-N -1 0 322.383 -0.555 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-] ZINC000547963875 381505809 /nfs/dbraw/zinc/50/58/09/381505809.db2.gz ZUQHGCYHBVCAJB-SSDOTTSWSA-N -1 0 313.282 -0.474 20 0 DBADRM C[C@](CO)(CNS(=O)(=O)c1cncc(F)c1)CC(=O)[O-] ZINC000548030195 381510164 /nfs/dbraw/zinc/51/01/64/381510164.db2.gz ZYWVETUCHDALKC-LLVKDONJSA-N -1 0 306.315 -0.028 20 0 DBADRM C[C@@](CO)(CNS(=O)(=O)C[C@@H]1CCCCO1)CC(=O)[O-] ZINC000548029999 381510242 /nfs/dbraw/zinc/51/02/42/381510242.db2.gz QBBXQOXSIFVULI-JQWIXIFHSA-N -1 0 309.384 -0.052 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cnn1C ZINC000627272409 381515730 /nfs/dbraw/zinc/51/57/30/381515730.db2.gz NOTLKEQKPGVISI-SKDRFNHKSA-N -1 0 322.365 -0.086 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548202564 381519177 /nfs/dbraw/zinc/51/91/77/381519177.db2.gz FOCVURAVRZVXSF-MNOVXSKESA-N -1 0 319.383 -0.011 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cncn1CC)C(=O)[O-] ZINC000548235172 381521110 /nfs/dbraw/zinc/52/11/10/381521110.db2.gz FJOCYPPFIUFKQF-PSASIEDQSA-N -1 0 305.356 -0.205 20 0 DBADRM CC[C@](C)(CNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000548228170 381519388 /nfs/dbraw/zinc/51/93/88/381519388.db2.gz DAPKSTWHLOWQJR-SNVBAGLBSA-N -1 0 315.413 -0.159 20 0 DBADRM COC[C@H](NS(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000547573466 381486680 /nfs/dbraw/zinc/48/66/80/381486680.db2.gz SPUYDGSNBKZGPT-YFKPBYRVSA-N -1 0 324.336 -0.692 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CCCNC1=O ZINC000134703383 381486750 /nfs/dbraw/zinc/48/67/50/381486750.db2.gz HEUNNEDOYFXNBX-LURJTMIESA-N -1 0 319.364 -0.513 20 0 DBADRM CCCSC[C@@H](NS(=O)(=O)N(C)CCOC)C(=O)[O-] ZINC000547595220 381487236 /nfs/dbraw/zinc/48/72/36/381487236.db2.gz STEZAPFLHGYOTN-SECBINFHSA-N -1 0 314.429 -0.005 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccnn1CC)C(=O)[O-] ZINC000547614062 381488459 /nfs/dbraw/zinc/48/84/59/381488459.db2.gz DRSYTLWTVJTDRY-SCZZXKLOSA-N -1 0 305.356 -0.205 20 0 DBADRM Nc1cccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC000548203431 381519599 /nfs/dbraw/zinc/51/95/99/381519599.db2.gz ZQSSJDTYNWXBQO-LLVKDONJSA-N -1 0 310.335 -0.034 20 0 DBADRM COCCCCS(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000547606201 381488635 /nfs/dbraw/zinc/48/86/35/381488635.db2.gz GQLPSGIPWXLTMO-NIVTXAMTSA-N -1 0 313.397 -0.740 20 0 DBADRM Nc1cccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])c1 ZINC000547605025 381488638 /nfs/dbraw/zinc/48/86/38/381488638.db2.gz LSEQKRXTHNBNIB-GIGQVBGESA-N -1 0 318.376 -0.525 20 0 DBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)CC1CCC1 ZINC000547598179 381488754 /nfs/dbraw/zinc/48/87/54/381488754.db2.gz WXJYJOKCGYNRPO-NXEZZACHSA-N -1 0 304.368 -0.233 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)N(C)[C@H](C)C1CC1)C(=O)[O-] ZINC000548204489 381519769 /nfs/dbraw/zinc/51/97/69/381519769.db2.gz AXSCARZUKAHIGQ-APPZFPTMSA-N -1 0 308.356 -0.433 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)N2CCCCC2)C1 ZINC000548222862 381519907 /nfs/dbraw/zinc/51/99/07/381519907.db2.gz JZCJGEZBFNLYTL-SNVBAGLBSA-N -1 0 319.383 -0.760 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000547872396 381499716 /nfs/dbraw/zinc/49/97/16/381499716.db2.gz BAFBJUDWWGOWOT-SCZZXKLOSA-N -1 0 303.340 -0.329 20 0 DBADRM CC1(C)CN(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)CCO1 ZINC000547873816 381500349 /nfs/dbraw/zinc/50/03/49/381500349.db2.gz AENZECRXKFCZPW-UWVGGRQHSA-N -1 0 322.383 -0.579 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000547872397 381500475 /nfs/dbraw/zinc/50/04/75/381500475.db2.gz BAFBJUDWWGOWOT-WCBMZHEXSA-N -1 0 303.340 -0.329 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000547880455 381501442 /nfs/dbraw/zinc/50/14/42/381501442.db2.gz LLTKSJZVDDAYJO-SSDOTTSWSA-N -1 0 307.715 -0.658 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)CC1CCOCC1)C(=O)[O-] ZINC000547907447 381501773 /nfs/dbraw/zinc/50/17/73/381501773.db2.gz QCWNGFOXLLOFFU-WDEREUQCSA-N -1 0 309.384 -0.053 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000547901307 381501956 /nfs/dbraw/zinc/50/19/56/381501956.db2.gz UMSXITRGZFDUSV-NSHDSACASA-N -1 0 318.399 -0.162 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)[O-] ZINC000547879162 381502881 /nfs/dbraw/zinc/50/28/81/381502881.db2.gz HENCIWPFCRZVMU-QMMMGPOBSA-N -1 0 319.339 -0.412 20 0 DBADRM Cc1cc(C)n(C[C@@H](NS(=O)(=O)NC2CC2)C(=O)[O-])n1 ZINC000548537994 381537073 /nfs/dbraw/zinc/53/70/73/381537073.db2.gz CRUADDNHORDVSA-SNVBAGLBSA-N -1 0 302.356 -0.460 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)s1)C(=O)[O-] ZINC000548544830 381537469 /nfs/dbraw/zinc/53/74/69/381537469.db2.gz XMRJFHNNIFJUQA-ZCFIWIBFSA-N -1 0 323.348 -0.087 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548537345 381537615 /nfs/dbraw/zinc/53/76/15/381537615.db2.gz SYDRIZKNEQQGMH-BBBLOLIVSA-N -1 0 323.367 -0.405 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000548566222 381539515 /nfs/dbraw/zinc/53/95/15/381539515.db2.gz AYWBOEDWDAMJLK-QXEWZRGKSA-N -1 0 322.383 -0.248 20 0 DBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000548577720 381539531 /nfs/dbraw/zinc/53/95/31/381539531.db2.gz RRFFWURYCULKIE-BDAKNGLRSA-N -1 0 311.356 -0.453 20 0 DBADRM COCCN(C)S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000548563523 381539612 /nfs/dbraw/zinc/53/96/12/381539612.db2.gz KSSRVEQRIWQGCP-UHFFFAOYSA-N -1 0 308.278 -0.242 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(S(=O)(=O)N1CCOCC1)C2 ZINC000548573557 381540087 /nfs/dbraw/zinc/54/00/87/381540087.db2.gz CTFFQDPNMXZJKO-JQWIXIFHSA-N -1 0 304.368 -0.250 20 0 DBADRM CC[C@@H](C)CS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000548584798 381541534 /nfs/dbraw/zinc/54/15/34/381541534.db2.gz FYDVMONKKZJTFF-RKDXNWHRSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@H](C(F)(F)F)S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000548586099 381541645 /nfs/dbraw/zinc/54/16/45/381541645.db2.gz CYBWOGDYWGCPEM-AAANXKGNSA-N -1 0 323.314 -0.216 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000548763561 381550091 /nfs/dbraw/zinc/55/00/91/381550091.db2.gz SLUMFFOCDSHSBF-LLVKDONJSA-N -1 0 324.399 -0.331 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCNS(=O)(=O)CC ZINC000548237283 381521326 /nfs/dbraw/zinc/52/13/26/381521326.db2.gz WNBJTDTVPZYYEB-QMMMGPOBSA-N -1 0 316.401 -0.950 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C)[C@@H]1C(=O)[O-] ZINC000548250200 381521530 /nfs/dbraw/zinc/52/15/30/381521530.db2.gz WWCMWRBPCMVVKY-WCBMZHEXSA-N -1 0 308.356 -0.479 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)NCCOCC(=O)[O-] ZINC000548261095 381521573 /nfs/dbraw/zinc/52/15/73/381521573.db2.gz CYLXSSAKVMVFML-UHFFFAOYSA-N -1 0 324.336 -0.691 20 0 DBADRM CCCCN(C)S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000548256715 381521989 /nfs/dbraw/zinc/52/19/89/381521989.db2.gz GFYUANJUFISOIS-LZVRBXCZSA-N -1 0 312.413 -0.519 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000548256698 381522094 /nfs/dbraw/zinc/52/20/94/381522094.db2.gz DZNDWTFKMIVXEX-SNFQMMDSSA-N -1 0 310.397 -0.767 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000548535154 381535191 /nfs/dbraw/zinc/53/51/91/381535191.db2.gz LQXNUVKSDLPMIZ-LURJTMIESA-N -1 0 314.241 -0.176 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000548529433 381536182 /nfs/dbraw/zinc/53/61/82/381536182.db2.gz HMXZSYUKKMOXSN-NSHDSACASA-N -1 0 316.383 -0.028 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cccc2cccnc21)C(=O)[O-] ZINC000548533274 381536372 /nfs/dbraw/zinc/53/63/72/381536372.db2.gz FUYFYMUTKDVEJF-SECBINFHSA-N -1 0 323.330 -0.158 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)N2CCC[C@@H]2C)C(=O)[O-])c1 ZINC000548529720 381536407 /nfs/dbraw/zinc/53/64/07/381536407.db2.gz HVFATDQBVYPRNA-QWRGUYRKSA-N -1 0 316.383 -0.037 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000551316696 381580350 /nfs/dbraw/zinc/58/03/50/381580350.db2.gz KZJWPTUZJYYZHY-JTQLQIEISA-N -1 0 314.319 -0.740 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)C1CC1 ZINC000548867765 381553348 /nfs/dbraw/zinc/55/33/48/381553348.db2.gz VFDCIBXVKYLDGX-LDYMZIIASA-N -1 0 322.383 -0.185 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CCCS(C)(=O)=O ZINC000548867785 381554218 /nfs/dbraw/zinc/55/42/18/381554218.db2.gz WAZXCKGRNSIYPX-DTWKUNHWSA-N -1 0 313.397 -0.454 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)N1CCNC(=O)CC1 ZINC000060060069 184144074 /nfs/dbraw/zinc/14/40/74/184144074.db2.gz WNCJMWNYFIEVSB-UHFFFAOYSA-N -1 0 304.349 -0.043 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCOCC(F)F)CC[C@H]1C(=O)[O-] ZINC000627275266 381613367 /nfs/dbraw/zinc/61/33/67/381613367.db2.gz GTTWZPNYPHQZAB-RKDXNWHRSA-N -1 0 322.308 -0.047 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H](C)C(=O)OC)C1 ZINC000252437870 381613757 /nfs/dbraw/zinc/61/37/57/381613757.db2.gz YCEVTUJIFMIGIV-ZJUUUORDSA-N -1 0 322.383 -0.343 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCOCC(=O)[O-])cc1C(N)=O ZINC000093228371 381619696 /nfs/dbraw/zinc/61/96/96/381619696.db2.gz LKTIHAAURBLGBG-UHFFFAOYSA-N -1 0 316.335 -0.527 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cn1nc2ccccn2c1=O ZINC000262381218 381625554 /nfs/dbraw/zinc/62/55/54/381625554.db2.gz YTOZRFJSZQEEOK-UWVGGRQHSA-N -1 0 304.306 -0.182 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000566179218 381639688 /nfs/dbraw/zinc/63/96/88/381639688.db2.gz KFIQCBZOPLLZPS-SSDOTTSWSA-N -1 0 320.348 -0.755 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N2CCS(=O)(=O)CC2)c1 ZINC000566175868 381639708 /nfs/dbraw/zinc/63/97/08/381639708.db2.gz FZUHBYBNQNULSC-UHFFFAOYSA-N -1 0 320.348 -0.801 20 0 DBADRM Cc1nc(C(C)(C)NS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])no1 ZINC000566176564 381639851 /nfs/dbraw/zinc/63/98/51/381639851.db2.gz JAGFBZWPDFTWCY-MRVPVSSYSA-N -1 0 318.355 -0.003 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)S(=O)(=O)N1CCOCC1 ZINC000566173777 381640208 /nfs/dbraw/zinc/64/02/08/381640208.db2.gz LUIJCCGITOSSPA-LLVKDONJSA-N -1 0 322.383 -0.481 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)C2CC2)C1=O ZINC000566551131 381664223 /nfs/dbraw/zinc/66/42/23/381664223.db2.gz AMNOLELRIFCSPS-UWVGGRQHSA-N -1 0 304.368 -0.222 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCO1 ZINC000567797195 381714226 /nfs/dbraw/zinc/71/42/26/381714226.db2.gz OCMRMMZZGHQMPT-NXEZZACHSA-N -1 0 308.356 -0.873 20 0 DBADRM Cn1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC000566971531 381675001 /nfs/dbraw/zinc/67/50/01/381675001.db2.gz MWCYXZNRTDXSSV-QMMMGPOBSA-N -1 0 312.355 -0.188 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])co1 ZINC000566973893 381676205 /nfs/dbraw/zinc/67/62/05/381676205.db2.gz PJCYNCJUQZIBIQ-SSDOTTSWSA-N -1 0 304.324 -0.020 20 0 DBADRM CCN(CCC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)CC ZINC000567107936 381682536 /nfs/dbraw/zinc/68/25/36/381682536.db2.gz ZHGCOGKBHYJIJV-UHFFFAOYSA-N -1 0 316.401 -0.948 20 0 DBADRM O=C([O-])[C@H]1COCCN1CCNS(=O)(=O)c1ccccc1 ZINC000567322411 381690480 /nfs/dbraw/zinc/69/04/80/381690480.db2.gz VTLDJDVXDXXXPQ-GFCCVEGCSA-N -1 0 314.363 -0.250 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCCO2)C[C@@H]1C(=O)[O-] ZINC000567386973 381695674 /nfs/dbraw/zinc/69/56/74/381695674.db2.gz VHGXCTOKVNJVRM-MXWKQRLJSA-N -1 0 314.338 -0.913 20 0 DBADRM COCCOc1ccccc1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000567627137 381704147 /nfs/dbraw/zinc/70/41/47/381704147.db2.gz FCYNLZHGYPKOSY-SECBINFHSA-N -1 0 319.335 -0.564 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC(=O)N[C@@H](C)C2)ccc1C(=O)[O-] ZINC000567635599 381704393 /nfs/dbraw/zinc/70/43/93/381704393.db2.gz ZRHGZODZOAQJBR-VIFPVBQESA-N -1 0 319.317 -0.021 20 0 DBADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCc2nnnn2-c2ccccc2)O1 ZINC000568351114 381756533 /nfs/dbraw/zinc/75/65/33/381756533.db2.gz QYAZJMFSEJGYDV-GHMZBOCLSA-N -1 0 317.305 -0.089 20 0 DBADRM C[C@@H]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)C[C@@H]1C(=O)[O-] ZINC000567866307 381719699 /nfs/dbraw/zinc/71/96/99/381719699.db2.gz SNQOQXMFNXUWMP-SFYZADRCSA-N -1 0 321.337 -0.080 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)CSCC(=O)[O-])C1 ZINC000567860622 381720998 /nfs/dbraw/zinc/72/09/98/381720998.db2.gz UNKGVSWYGWPLND-MRVPVSSYSA-N -1 0 310.397 -0.656 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000567887435 381722167 /nfs/dbraw/zinc/72/21/67/381722167.db2.gz KODMBIUOFRPSDO-TUAOUCFPSA-N -1 0 322.365 -0.043 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000568948183 381781971 /nfs/dbraw/zinc/78/19/71/381781971.db2.gz HRBYREZVXRVEFO-HLTSFMKQSA-N -1 0 309.340 -0.701 20 0 DBADRM Cc1c(CNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cnn1C ZINC000569114359 381787182 /nfs/dbraw/zinc/78/71/82/381787182.db2.gz IMXMLUVNNNGJEK-SNVBAGLBSA-N -1 0 302.356 -0.388 20 0 DBADRM C[S@@](=O)CCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000569114341 381787786 /nfs/dbraw/zinc/78/77/86/381787786.db2.gz HLMRZPZKGCXGBX-GOSISDBHSA-N -1 0 306.365 -0.173 20 0 DBADRM C[C@H](O)[C@@H]1CCN(c2cc(NC[C@](C)(O)C(=O)[O-])ncn2)C1 ZINC000569225360 381791798 /nfs/dbraw/zinc/79/17/98/381791798.db2.gz JSCHTZAVTQZGMQ-RBZYPMLTSA-N -1 0 310.354 -0.069 20 0 DBADRM CCN(CCCNC(=O)NC1(C(=O)[O-])CCC1)S(C)(=O)=O ZINC000572701260 381798758 /nfs/dbraw/zinc/79/87/58/381798758.db2.gz NANYRILCQLLIQU-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccn(C)n2)C1 ZINC000568507176 381761953 /nfs/dbraw/zinc/76/19/53/381761953.db2.gz LBFHVMXQVUMKQI-NSHDSACASA-N -1 0 303.340 -0.468 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@]2(C)CO)C[C@@H]1C(=O)[O-] ZINC000568628753 381768689 /nfs/dbraw/zinc/76/86/89/381768689.db2.gz YVVDOZDGLVPSCE-ZETOZRRWSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C(=O)[O-] ZINC000573324788 381822308 /nfs/dbraw/zinc/82/23/08/381822308.db2.gz ZECCBKLHJYSTJU-DTWKUNHWSA-N -1 0 311.338 -0.114 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000167257312 381822633 /nfs/dbraw/zinc/82/26/33/381822633.db2.gz IOXJTCRRSFNURQ-UHFFFAOYSA-N -1 0 315.311 -0.554 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000573339979 381824143 /nfs/dbraw/zinc/82/41/43/381824143.db2.gz AUPRKJQHTBHKSF-NXEZZACHSA-N -1 0 322.383 -0.642 20 0 DBADRM COCC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-] ZINC000573772069 381840591 /nfs/dbraw/zinc/84/05/91/381840591.db2.gz PZUPOZWEZHDVKZ-SECBINFHSA-N -1 0 323.367 -0.261 20 0 DBADRM COCCN(C)S(=O)(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000573798066 381841419 /nfs/dbraw/zinc/84/14/19/381841419.db2.gz CVRCCWKMOQZNQC-LLVKDONJSA-N -1 0 324.399 -0.235 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)NCC(C)(C)C(=O)[O-])CC1 ZINC000164871059 381805325 /nfs/dbraw/zinc/80/53/25/381805325.db2.gz IMTOFRUETBDSKA-UHFFFAOYSA-N -1 0 322.383 -0.183 20 0 DBADRM O=C([O-])[C@H]1c2cccn2CCN1S(=O)(=O)N1CCOCC1 ZINC000572953875 381808057 /nfs/dbraw/zinc/80/80/57/381808057.db2.gz ZMLQFNNAFUINGZ-LLVKDONJSA-N -1 0 315.351 -0.494 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NC2(C(=O)[O-])CC2)s1 ZINC000573123331 381814378 /nfs/dbraw/zinc/81/43/78/381814378.db2.gz FGTNNZFDZMGKTB-UHFFFAOYSA-N -1 0 305.337 -0.003 20 0 DBADRM Cc1noc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000573120278 381814777 /nfs/dbraw/zinc/81/47/77/381814777.db2.gz KTHDRZKOKIUOHL-CBAPKCEASA-N -1 0 310.310 -0.437 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)[C@H]1CO ZINC000574799933 381877716 /nfs/dbraw/zinc/87/77/16/381877716.db2.gz ZAOCVOGAMVNQJR-WOPDTQHZSA-N -1 0 312.366 -0.071 20 0 DBADRM CNS(=O)(=O)c1ccc(CNC(=O)N(C)CC(=O)[O-])s1 ZINC000574782394 381878866 /nfs/dbraw/zinc/87/88/66/381878866.db2.gz LWTSKHCULSQUMJ-UHFFFAOYSA-N -1 0 321.380 -0.118 20 0 DBADRM COC(=O)[C@H](NC(=O)c1n[nH]c(=O)[n-]1)[C@@H]1CCC[C@@H](OC)C1 ZINC000574885539 381881522 /nfs/dbraw/zinc/88/15/22/381881522.db2.gz IAOKTGIZJCWHBW-IWSPIJDZSA-N -1 0 312.326 -0.013 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCCn1cnnc1C1CC1 ZINC000574154547 381853302 /nfs/dbraw/zinc/85/33/02/381853302.db2.gz VXAACMBLKTYIKO-UHFFFAOYSA-N -1 0 302.356 -0.060 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@H]2C(=O)[O-])cn1C ZINC000574158377 381854081 /nfs/dbraw/zinc/85/40/81/381854081.db2.gz NUBULUCMKRLGJK-RNSXUZJQSA-N -1 0 317.367 -0.020 20 0 DBADRM Cn1cnc(S(=O)(=O)NC2(CC(=O)[O-])CCOCC2)c1 ZINC000574200446 381856171 /nfs/dbraw/zinc/85/61/71/381856171.db2.gz SRXNMKBYGNJCEB-UHFFFAOYSA-N -1 0 303.340 -0.278 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)C[C@@H]1CCCO1)C(=O)[O-] ZINC000168825088 381858178 /nfs/dbraw/zinc/85/81/78/381858178.db2.gz AUKXUGCDGAXADZ-IUCAKERBSA-N -1 0 309.340 -0.509 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)N1CCC(C)CC1)C(=O)[O-] ZINC000168819936 381858759 /nfs/dbraw/zinc/85/87/59/381858759.db2.gz HCHUCHXIMRGGCM-SNVBAGLBSA-N -1 0 322.383 -0.041 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2CCOC[C@@H](O)C2)c1 ZINC000574691817 381873967 /nfs/dbraw/zinc/87/39/67/381873967.db2.gz SJCJZYXURKBRCC-NSHDSACASA-N -1 0 308.290 -0.457 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)C(=O)NCCCC(=O)[O-] ZINC000575803543 381898365 /nfs/dbraw/zinc/89/83/65/381898365.db2.gz RWOITFSBGVXYED-UHFFFAOYSA-N -1 0 301.343 -0.612 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000575922651 381904638 /nfs/dbraw/zinc/90/46/38/381904638.db2.gz CGIFDVIPHFJFCZ-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)c[nH]1 ZINC000575962769 381906467 /nfs/dbraw/zinc/90/64/67/381906467.db2.gz WIECFUQSEMDFRB-JMCQJSRRSA-N -1 0 314.319 -0.104 20 0 DBADRM CC(C)(NC(=O)c1ccnc(S(C)(=O)=O)n1)c1nnn[n-]1 ZINC000576357378 381922854 /nfs/dbraw/zinc/92/28/54/381922854.db2.gz MBOZIUMHGMXZCQ-UHFFFAOYSA-N -1 0 311.327 -0.942 20 0 DBADRM Cc1nc(N2CCC(O)(C(=O)[O-])CC2)sc1S(N)(=O)=O ZINC000575320529 381891731 /nfs/dbraw/zinc/89/17/31/381891731.db2.gz XXQZOBFKPBKHFX-UHFFFAOYSA-N -1 0 321.380 -0.485 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000577287196 381957236 /nfs/dbraw/zinc/95/72/36/381957236.db2.gz ZNKWJWFXWIEUBI-GFCCVEGCSA-N -1 0 317.305 -0.104 20 0 DBADRM C/C=C/C[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000577726866 381972381 /nfs/dbraw/zinc/97/23/81/381972381.db2.gz KZTWDWLDDRGUBW-CDAZIORVSA-N -1 0 313.397 -0.240 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cncc(F)c1 ZINC000580617037 381947594 /nfs/dbraw/zinc/94/75/94/381947594.db2.gz NGHLLNHDIKQWII-UHFFFAOYSA-N -1 0 305.287 -0.910 20 0 DBADRM COCCOCCS(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000580683087 381953953 /nfs/dbraw/zinc/95/39/53/381953953.db2.gz OYCFRVNTDFJMDY-ZETCQYMHSA-N -1 0 323.289 -0.026 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[S@@](=O)C2)C[C@H]1C(=O)[O-] ZINC000578237129 382006516 /nfs/dbraw/zinc/00/65/16/382006516.db2.gz APUNYEXSFQYWCY-RNPGEOCXSA-N -1 0 316.379 -0.807 20 0 DBADRM O=c1[n-]c(CN2CCCN(S(=O)(=O)C3CC3)CC2)n[nH]1 ZINC000578382849 382014024 /nfs/dbraw/zinc/01/40/24/382014024.db2.gz WOBNNQFBVYMIOA-UHFFFAOYSA-N -1 0 301.372 -0.490 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)O1 ZINC000577850050 381974323 /nfs/dbraw/zinc/97/43/23/381974323.db2.gz UWOFODZGGWQQDA-OOJXKGFFSA-N -1 0 324.255 -0.259 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NC2(c3nnn[n-]3)CCCC2)O1 ZINC000577928235 381977186 /nfs/dbraw/zinc/97/71/86/381977186.db2.gz FXKPBSVMCOLVKR-VHSXEESVSA-N -1 0 322.369 -0.279 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)N2CCC2)C1=O ZINC000578980505 382043062 /nfs/dbraw/zinc/04/30/62/382043062.db2.gz MXKNMLVOWMSCIZ-VHSXEESVSA-N -1 0 319.383 -0.763 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000579005285 382046233 /nfs/dbraw/zinc/04/62/33/382046233.db2.gz UKGNEWOLILKJCR-ZJUUUORDSA-N -1 0 306.384 -0.115 20 0 DBADRM COCCN(CCOC)S(=O)(=O)NCC1(C(=O)[O-])CC1 ZINC000579081139 382048505 /nfs/dbraw/zinc/04/85/05/382048505.db2.gz IZNJKVCOKOGSJF-UHFFFAOYSA-N -1 0 310.372 -0.720 20 0 DBADRM CCOc1ccc(C(=O)NCC(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC000579122843 382049878 /nfs/dbraw/zinc/04/98/78/382049878.db2.gz ZKPGGKSGWMXTRI-HNNXBMFYSA-N -1 0 324.333 -0.233 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@H]1CCCCO1)[C@H]1CCOC1 ZINC000579424403 382066771 /nfs/dbraw/zinc/06/67/71/382066771.db2.gz KBPVPPQJLFZUTA-HBNTYKKESA-N -1 0 307.368 -0.035 20 0 DBADRM CCN(CC(=O)[O-])C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000579391606 382066991 /nfs/dbraw/zinc/06/69/91/382066991.db2.gz XISKNOONNAPIGJ-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM CC(C)OC[C@@H]1CN(C(=O)C(=O)N(C)CCC(=O)[O-])CCO1 ZINC000578518498 382019779 /nfs/dbraw/zinc/01/97/79/382019779.db2.gz LNYAUPPZPGDEQF-NSHDSACASA-N -1 0 316.354 -0.428 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000578626342 382025022 /nfs/dbraw/zinc/02/50/22/382025022.db2.gz KGWUYTMAGUASEB-JTQLQIEISA-N -1 0 306.384 -0.019 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000578631932 382025415 /nfs/dbraw/zinc/02/54/15/382025415.db2.gz FXVWJYZZSPRULS-BDAKNGLRSA-N -1 0 310.372 -0.703 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000578654799 382027370 /nfs/dbraw/zinc/02/73/70/382027370.db2.gz HPJCQJLBPJNHSF-RKDXNWHRSA-N -1 0 312.326 -0.470 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cnn1C ZINC000578652736 382027650 /nfs/dbraw/zinc/02/76/50/382027650.db2.gz WVZICXDBLKXTQS-CABZTGNLSA-N -1 0 322.365 -0.086 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])o1 ZINC000579978975 382105202 /nfs/dbraw/zinc/10/52/02/382105202.db2.gz LVDLPPMZZNCWFL-ZCFIWIBFSA-N -1 0 307.280 -0.820 20 0 DBADRM COC(=O)c1cn(CC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)nn1 ZINC000580956640 382122904 /nfs/dbraw/zinc/12/29/04/382122904.db2.gz DOMPRMWESPCUIK-RKDXNWHRSA-N -1 0 310.310 -0.366 20 0 DBADRM Cn1c(N2CCC[C@H](C(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000580957544 382123532 /nfs/dbraw/zinc/12/35/32/382123532.db2.gz SGJMJPOFBYHUCY-ZETCQYMHSA-N -1 0 307.310 -0.326 20 0 DBADRM CCCn1nccc1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000581082070 382129077 /nfs/dbraw/zinc/12/90/77/382129077.db2.gz GRWQSNMAICBZST-SNVBAGLBSA-N -1 0 315.351 -0.383 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)Cc1cccc(F)c1)C(=O)[O-] ZINC000579700235 382088173 /nfs/dbraw/zinc/08/81/73/382088173.db2.gz ORRQAHWTLWSUGR-JTQLQIEISA-N -1 0 318.326 -0.036 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-] ZINC000579804812 382090930 /nfs/dbraw/zinc/09/09/30/382090930.db2.gz QVEWHYWRPRNOID-VIFPVBQESA-N -1 0 323.367 -0.167 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N(C)C1(C(=O)[O-])CCOCC1 ZINC000579896427 382100385 /nfs/dbraw/zinc/10/03/85/382100385.db2.gz JUJVKICPHXMIDO-UHFFFAOYSA-N -1 0 317.367 -0.017 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000581763942 382174739 /nfs/dbraw/zinc/17/47/39/382174739.db2.gz XHWYZJDUFNZTFF-BXKDBHETSA-N -1 0 315.351 -0.170 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NCCC(=O)[O-])cn1 ZINC000581824569 382176643 /nfs/dbraw/zinc/17/66/43/382176643.db2.gz PUCVUBCTIIEEHS-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000380803956 382134971 /nfs/dbraw/zinc/13/49/71/382134971.db2.gz LCLPSZVAYZLZGY-SSDOTTSWSA-N -1 0 302.308 -0.205 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-] ZINC000581373496 382144562 /nfs/dbraw/zinc/14/45/62/382144562.db2.gz YOVWJSBYCUCGTB-BDAKNGLRSA-N -1 0 322.383 -0.643 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)NCCOCC(=O)[O-])cc1 ZINC000581374700 382145897 /nfs/dbraw/zinc/14/58/97/382145897.db2.gz WRDATANWEZSBAL-UHFFFAOYSA-N -1 0 305.294 -0.198 20 0 DBADRM COC[C@](C)(O)CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000382587396 382155177 /nfs/dbraw/zinc/15/51/77/382155177.db2.gz CPKHLOQNZSSSRD-GFCCVEGCSA-N -1 0 318.351 -0.159 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1cnn(C)c1C)C(=O)[O-] ZINC000581584429 382158482 /nfs/dbraw/zinc/15/84/82/382158482.db2.gz GFFMEYPHIBPSCH-WCBMZHEXSA-N -1 0 305.356 -0.379 20 0 DBADRM CC(=O)NCCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000383486832 382161217 /nfs/dbraw/zinc/16/12/17/382161217.db2.gz RARDPPOJCZLLQU-UHFFFAOYSA-N -1 0 303.340 -0.472 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000386956700 382199292 /nfs/dbraw/zinc/19/92/92/382199292.db2.gz OJQVTRDIQCXALB-LBPRGKRZSA-N -1 0 317.367 -0.160 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000627280427 382215243 /nfs/dbraw/zinc/21/52/43/382215243.db2.gz HWFVFNAWVHBHFZ-UWVGGRQHSA-N -1 0 323.353 -0.517 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000627280429 382215638 /nfs/dbraw/zinc/21/56/38/382215638.db2.gz HWFVFNAWVHBHFZ-ZJUUUORDSA-N -1 0 323.353 -0.517 20 0 DBADRM CCOC[C@H]1CN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CCO1 ZINC000627279821 382215652 /nfs/dbraw/zinc/21/56/52/382215652.db2.gz UYULPTVBMXXGHK-VHSXEESVSA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCOCCF)CC[C@H]1C(=O)[O-] ZINC000627281151 382215865 /nfs/dbraw/zinc/21/58/65/382215865.db2.gz XEBVJCZYKVQSPJ-NXEZZACHSA-N -1 0 304.318 -0.342 20 0 DBADRM CN(C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000627279359 382215873 /nfs/dbraw/zinc/21/58/73/382215873.db2.gz LQYSOEQLRFYSER-AXTSPUMRSA-N -1 0 311.338 -0.922 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000627281190 382216325 /nfs/dbraw/zinc/21/63/25/382216325.db2.gz XZKKOMGBXLTWEM-MWLCHTKSSA-N -1 0 323.353 -0.517 20 0 DBADRM COC(=O)[C@@H](C)CN(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000063748268 382287874 /nfs/dbraw/zinc/28/78/74/382287874.db2.gz FATKUFKIPSKUBZ-ZETCQYMHSA-N -1 0 320.305 -0.095 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2ccc[nH]c2=O)C[C@@H]1C(=O)[O-] ZINC000627284990 382246684 /nfs/dbraw/zinc/24/66/84/382246684.db2.gz PSKWUTYXDMWQKB-KOLCDFICSA-N -1 0 321.333 -0.027 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000627286143 382252688 /nfs/dbraw/zinc/25/26/88/382252688.db2.gz CWPJXOIWCFXTHX-SNVBAGLBSA-N -1 0 311.338 -0.811 20 0 DBADRM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000615814992 382257601 /nfs/dbraw/zinc/25/76/01/382257601.db2.gz CWCQDBSNPMCEPY-BHNWBGBOSA-N -1 0 308.294 -0.304 20 0 DBADRM Nc1nccnc1C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000047545367 382266495 /nfs/dbraw/zinc/26/64/95/382266495.db2.gz QKCJXONBHMZYIX-UHFFFAOYSA-N -1 0 301.306 -0.076 20 0 DBADRM COc1cccc(CNC(=O)C[C@H]2NC(=O)NC2=O)c1OC ZINC000056747549 382270067 /nfs/dbraw/zinc/27/00/67/382270067.db2.gz PYMLFAFVPBFDHY-SECBINFHSA-N -1 0 307.306 -0.082 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000615972000 382325950 /nfs/dbraw/zinc/32/59/50/382325950.db2.gz NWQYWHZQTYNISR-ZETCQYMHSA-N -1 0 315.351 -0.706 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NC(C)(C)CC(=O)[O-])cn1C ZINC000084147061 382327282 /nfs/dbraw/zinc/32/72/82/382327282.db2.gz WUQLGKARCIYDMH-UHFFFAOYSA-N -1 0 317.367 -0.084 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000091294009 382339815 /nfs/dbraw/zinc/33/98/15/382339815.db2.gz OPEMJPPTWPGALU-SECBINFHSA-N -1 0 303.340 -0.109 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000091294010 382341204 /nfs/dbraw/zinc/34/12/04/382341204.db2.gz OPEMJPPTWPGALU-VIFPVBQESA-N -1 0 303.340 -0.109 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)C[C@@H](C)O1 ZINC000091294039 382342052 /nfs/dbraw/zinc/34/20/52/382342052.db2.gz XJMJHOVCGRJKHB-GMTAPVOTSA-N -1 0 322.383 -0.484 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000091294209 382342121 /nfs/dbraw/zinc/34/21/21/382342121.db2.gz CKNJJGIQSBKCFQ-JTQLQIEISA-N -1 0 317.367 -0.099 20 0 DBADRM O=C(Nc1nnn[n-]1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067137639 382299653 /nfs/dbraw/zinc/29/96/53/382299653.db2.gz FORIKEWPQWKTQM-UHFFFAOYSA-N -1 0 301.226 -0.059 20 0 DBADRM CC(C)Cc1nc(=NC(=O)CN2CCN(C)C(=O)C2)s[n-]1 ZINC000618349029 382358419 /nfs/dbraw/zinc/35/84/19/382358419.db2.gz GWRIIXXLKYIJMG-UHFFFAOYSA-N -1 0 311.411 -0.129 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)CC2(C(=O)[O-])CCC2)C1 ZINC000400109633 382390101 /nfs/dbraw/zinc/39/01/01/382390101.db2.gz FEWVFQAXKFLVMR-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)NC2(C(=O)[O-])CCCC2)C1 ZINC000400301261 382392117 /nfs/dbraw/zinc/39/21/17/382392117.db2.gz PJUUOHBNFZMVHB-VIFPVBQESA-N -1 0 319.383 -0.283 20 0 DBADRM COC(=O)c1cccc(NC(=O)c2n[nH]c(=O)[n-]c2=O)c1N ZINC000619812197 382428461 /nfs/dbraw/zinc/42/84/61/382428461.db2.gz HFXAJOFRWBQLDX-UHFFFAOYSA-N -1 0 305.250 -0.096 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000619964542 382435115 /nfs/dbraw/zinc/43/51/15/382435115.db2.gz FFPIFIYVXSDFGX-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)[O-] ZINC000402577617 382399515 /nfs/dbraw/zinc/39/95/15/382399515.db2.gz QWSPHRCDQRXWDS-SNVBAGLBSA-N -1 0 308.254 -0.533 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000621602410 382492560 /nfs/dbraw/zinc/49/25/60/382492560.db2.gz RNPUGQLQNMMXEO-RKDXNWHRSA-N -1 0 307.393 -0.303 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCSC[C@H](C(=O)[O-])C2)S1(=O)=O ZINC000621606747 382492674 /nfs/dbraw/zinc/49/26/74/382492674.db2.gz DBRFCWUVSIXTDM-BDAKNGLRSA-N -1 0 322.408 -0.704 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)CN2CSCC2=O)C1 ZINC000621601163 382492865 /nfs/dbraw/zinc/49/28/65/382492865.db2.gz QGOYDIZWYYYSHV-MRVPVSSYSA-N -1 0 304.393 -0.205 20 0 DBADRM CN(CC(=O)N1CCSC[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000621603392 382492875 /nfs/dbraw/zinc/49/28/75/382492875.db2.gz MBANGTXXBRFCLK-QMMMGPOBSA-N -1 0 310.397 -0.846 20 0 DBADRM CN1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)CC1=O ZINC000311478463 382494450 /nfs/dbraw/zinc/49/44/50/382494450.db2.gz AKBHJFTXZCVNJO-SSDOTTSWSA-N -1 0 304.349 -0.045 20 0 DBADRM CN1CC[C@H](C(=O)N2CCCCC[C@@H]2C(=O)[O-])S1(=O)=O ZINC000621570346 382489443 /nfs/dbraw/zinc/48/94/43/382489443.db2.gz URBVHCMPFYJKBB-NXEZZACHSA-N -1 0 304.368 -0.124 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000621577031 382491930 /nfs/dbraw/zinc/49/19/30/382491930.db2.gz NGEUIAPZOJRGHY-CQSZACIVSA-N -1 0 313.354 -0.515 20 0 DBADRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)N1CCS(=O)(=O)CC1 ZINC000312712752 382508524 /nfs/dbraw/zinc/50/85/24/382508524.db2.gz TVBMVGBCROPMQA-LURJTMIESA-N -1 0 318.273 -0.168 20 0 DBADRM C[C@H]1CN(C(=O)N2CCS(=O)(=O)CC2)CC[C@@H]1C(=O)[O-] ZINC000312754739 382509802 /nfs/dbraw/zinc/50/98/02/382509802.db2.gz ZRDDETLGTWZMSA-UWVGGRQHSA-N -1 0 304.368 -0.121 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)N2CC(C(=O)[O-])C2)CC1 ZINC000621830049 382510991 /nfs/dbraw/zinc/51/09/91/382510991.db2.gz WMXIITVCVZEXIJ-UHFFFAOYSA-N -1 0 319.383 -0.616 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)N2CC(C(=O)[O-])C2)s1 ZINC000621828707 382511202 /nfs/dbraw/zinc/51/12/02/382511202.db2.gz PSOIDTMDNONAFN-UHFFFAOYSA-N -1 0 319.364 -0.379 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)N1CC(C(=O)[O-])C1 ZINC000621829019 382511300 /nfs/dbraw/zinc/51/13/00/382511300.db2.gz COHUVSRFLWHOLE-UHFFFAOYSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C[C@H]1CO ZINC000621836089 382512368 /nfs/dbraw/zinc/51/23/68/382512368.db2.gz XFWZEUXSVYPEAQ-FIQHERPVSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C[C@H]1CO ZINC000621835463 382512678 /nfs/dbraw/zinc/51/26/78/382512678.db2.gz AUVCRPFMPHZYDZ-MNOVXSKESA-N -1 0 312.366 -0.166 20 0 DBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)N1CC(C(=O)[O-])C1 ZINC000621833365 382512942 /nfs/dbraw/zinc/51/29/42/382512942.db2.gz JULGIVSPGKARCQ-GHMZBOCLSA-N -1 0 302.327 -0.467 20 0 DBADRM CCOCCN1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC000621863850 382519128 /nfs/dbraw/zinc/51/91/28/382519128.db2.gz LALSHQKCVHWMCI-UHFFFAOYSA-N -1 0 319.365 -0.183 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C[C@@H]1CO ZINC000622045852 382538896 /nfs/dbraw/zinc/53/88/96/382538896.db2.gz AELWUWUNIKXESR-CMPLNLGQSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C[C@@H]1CO ZINC000622045843 382539035 /nfs/dbraw/zinc/53/90/35/382539035.db2.gz ADCDCDJGUPYOJZ-IJLUTSLNSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(=O)N(C)C ZINC000622504622 382568770 /nfs/dbraw/zinc/56/87/70/382568770.db2.gz SZRVYCSEFRYKIM-ZETCQYMHSA-N -1 0 315.351 -0.754 20 0 DBADRM Cn1nnnc1CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000622524253 382570369 /nfs/dbraw/zinc/57/03/69/382570369.db2.gz MDCBGAZIIFFGED-UHFFFAOYSA-N -1 0 301.266 -0.517 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CCO1 ZINC000133366791 382642987 /nfs/dbraw/zinc/64/29/87/382642987.db2.gz DMKWGWAQFNWQPM-VHSXEESVSA-N -1 0 302.327 -0.073 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000631242907 382646480 /nfs/dbraw/zinc/64/64/80/382646480.db2.gz VUBQVXOCBXICPL-NSHDSACASA-N -1 0 306.370 -0.007 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000631834712 382652185 /nfs/dbraw/zinc/65/21/85/382652185.db2.gz DKMBTFPQOIWABH-NEPJUHHUSA-N -1 0 308.386 -0.108 20 0 DBADRM CC(F)(F)CCS(=O)(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000632188674 382663428 /nfs/dbraw/zinc/66/34/28/382663428.db2.gz STXXNRZCSOABMO-SSDOTTSWSA-N -1 0 311.310 -0.403 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000632192314 382663736 /nfs/dbraw/zinc/66/37/36/382663736.db2.gz ZLJOSKOSGVXGEM-QWRGUYRKSA-N -1 0 300.384 -0.371 20 0 DBADRM CN(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC000632426845 382670333 /nfs/dbraw/zinc/67/03/33/382670333.db2.gz OEQZAYLXMYDAJT-VIFPVBQESA-N -1 0 301.372 -0.166 20 0 DBADRM O=S(=O)(c1cc([O-])cc(F)c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000632538127 382672885 /nfs/dbraw/zinc/67/28/85/382672885.db2.gz FLEIROGINPMRCL-CMPLNLGQSA-N -1 0 316.354 -0.029 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@@H]1COCC[C@H]1O)C1CCOCC1 ZINC000632707822 382676909 /nfs/dbraw/zinc/67/69/09/382676909.db2.gz WMSXTATUMMYABF-UPJWGTAASA-N -1 0 323.411 -0.503 20 0 DBADRM Cc1nc(S(=O)(=O)NC2CN(c3ccncn3)C2)cn1C ZINC000632707008 382676968 /nfs/dbraw/zinc/67/69/68/382676968.db2.gz ZWSQLYSJVIPMPV-UHFFFAOYSA-N -1 0 308.367 -0.314 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCCCO2)C1 ZINC000633064982 382680747 /nfs/dbraw/zinc/68/07/47/382680747.db2.gz VSCIVZRWFFOSDU-CYBMUJFWSA-N -1 0 300.311 -0.510 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](CCO)C2)C1 ZINC000633072193 382680890 /nfs/dbraw/zinc/68/08/90/382680890.db2.gz JGVJBSODBNEYJB-RYUDHWBXSA-N -1 0 312.366 -0.069 20 0 DBADRM CC1(F)CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000633070434 382680954 /nfs/dbraw/zinc/68/09/54/382680954.db2.gz KWRNVRXDLPFTNZ-VIFPVBQESA-N -1 0 302.302 -0.351 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H]3C[C@@H]3C2)C1 ZINC000633069484 382680961 /nfs/dbraw/zinc/68/09/61/382680961.db2.gz NGXRMQPDVSBMDX-HFAKWTLXSA-N -1 0 310.350 -0.196 20 0 DBADRM CN(C(=O)c1cnc([O-])n(C)c1=O)[C@@H]1CCCCN(C)C1=O ZINC000634139907 382692416 /nfs/dbraw/zinc/69/24/16/382692416.db2.gz HTTJWGLJTWOZDZ-SNVBAGLBSA-N -1 0 308.338 -0.431 20 0 DBADRM Cn1[n-]c(C(=O)N2CCN(CCc3cnccn3)CC2)cc1=O ZINC000634508582 382695582 /nfs/dbraw/zinc/69/55/82/382695582.db2.gz DTVMWSIGTSXNSX-UHFFFAOYSA-N -1 0 316.365 -0.084 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N1CCCCC1 ZINC000262483498 220435362 /nfs/dbraw/zinc/43/53/62/220435362.db2.gz WDTGTUSUJQLSHZ-JTQLQIEISA-N -1 0 321.399 -0.372 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1CCCCC1 ZINC000262483499 220435534 /nfs/dbraw/zinc/43/55/34/220435534.db2.gz WDTGTUSUJQLSHZ-SNVBAGLBSA-N -1 0 321.399 -0.372 20 0 DBADRM CCC(CC)(NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-] ZINC000342522505 220455790 /nfs/dbraw/zinc/45/57/90/220455790.db2.gz JMVMNFQNSOGNOJ-UHFFFAOYSA-N -1 0 315.370 -0.222 20 0 DBADRM CC(C)OC[C@@H](CO)N(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000357212834 220701745 /nfs/dbraw/zinc/70/17/45/220701745.db2.gz KJZGNOFHJLJANS-MRVPVSSYSA-N -1 0 304.372 -0.153 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2ccnn2C)C1=O ZINC000358711423 220779626 /nfs/dbraw/zinc/77/96/26/220779626.db2.gz GSRPPCXMWGALPE-MWLCHTKSSA-N -1 0 308.338 -0.140 20 0 DBADRM COc1ccc(C(=O)CNC(=O)CCC(=O)NCC(=O)[O-])cc1 ZINC000362442953 220809813 /nfs/dbraw/zinc/80/98/13/220809813.db2.gz WUEZKGZKMUOBQT-UHFFFAOYSA-N -1 0 322.317 -0.025 20 0 DBADRM CN(CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC000366940274 220853460 /nfs/dbraw/zinc/85/34/60/220853460.db2.gz GBYVUWUVNBZPLY-CABZTGNLSA-N -1 0 304.368 -0.409 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cn1 ZINC000368516676 220890949 /nfs/dbraw/zinc/89/09/49/220890949.db2.gz DGOFIPQXSNSCHJ-LLVKDONJSA-N -1 0 319.339 -0.949 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CCOC1 ZINC000447185853 533635123 /nfs/dbraw/zinc/63/51/23/533635123.db2.gz ZWYBEFFVMTTYHX-NHCYSSNCSA-N -1 0 322.383 -0.738 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000271409426 129908798 /nfs/dbraw/zinc/90/87/98/129908798.db2.gz ODDHFYZVGKQIFK-LURJTMIESA-N -1 0 313.232 -0.317 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC000272310626 130019045 /nfs/dbraw/zinc/01/90/45/130019045.db2.gz ZGSAFJKETNZNBA-UHFFFAOYSA-N -1 0 311.338 -0.953 20 0 DBADRM Cc1cc(F)c(S(=O)(=O)N2CCNC(=O)C2)cc1C(=O)[O-] ZINC000273718777 130157533 /nfs/dbraw/zinc/15/75/33/130157533.db2.gz HUHYZWCOODZUHC-UHFFFAOYSA-N -1 0 316.310 -0.047 20 0 DBADRM CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)CCC2CC2)n1 ZINC000273969536 130193340 /nfs/dbraw/zinc/19/33/40/130193340.db2.gz QYKGUKCEZFTCCB-UHFFFAOYSA-N -1 0 301.372 -0.092 20 0 DBADRM O=C([O-])C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000274066218 130202588 /nfs/dbraw/zinc/20/25/88/130202588.db2.gz BFBZGNZKMXETOD-UHFFFAOYSA-N -1 0 304.246 -0.499 20 0 DBADRM CO[C@H](C)c1noc(CN2CCCN(C(=O)C(=O)[O-])CC2)n1 ZINC000274137638 130209763 /nfs/dbraw/zinc/20/97/63/130209763.db2.gz GIEFEUQUFFTZNO-SECBINFHSA-N -1 0 312.326 -0.104 20 0 DBADRM C[C@@H](CN(C)C(=O)COc1ccc(C(N)=O)cc1)c1nnn[n-]1 ZINC000274747343 130257225 /nfs/dbraw/zinc/25/72/25/130257225.db2.gz GWFKXPXVRUOGCK-VIFPVBQESA-N -1 0 318.337 -0.061 20 0 DBADRM C[C@H](CN(C)C(=O)COc1ccc(C(N)=O)cc1)c1nnn[n-]1 ZINC000274747339 130257732 /nfs/dbraw/zinc/25/77/32/130257732.db2.gz GWFKXPXVRUOGCK-SECBINFHSA-N -1 0 318.337 -0.061 20 0 DBADRM COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000274869747 130269041 /nfs/dbraw/zinc/26/90/41/130269041.db2.gz AJOOCOAGNWGWDC-VIFPVBQESA-N -1 0 317.319 -0.495 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c(F)cc1F ZINC000274899518 130272355 /nfs/dbraw/zinc/27/23/55/130272355.db2.gz HVVLXPRMAVTTHY-QMMMGPOBSA-N -1 0 322.289 -0.120 20 0 DBADRM Cc1cc(F)cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000274933906 130274827 /nfs/dbraw/zinc/27/48/27/130274827.db2.gz PNOBYNYTKNQTLK-SECBINFHSA-N -1 0 304.299 -0.259 20 0 DBADRM CN(CC(=O)OC(C)(C)C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000274941493 130275955 /nfs/dbraw/zinc/27/59/55/130275955.db2.gz FTCXYVRTRCANSF-UHFFFAOYSA-N -1 0 302.356 -0.010 20 0 DBADRM Cc1ccc(CS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1F ZINC000274955146 130276766 /nfs/dbraw/zinc/27/67/66/130276766.db2.gz UCHNMMMDZWOTGJ-SNVBAGLBSA-N -1 0 318.326 -0.118 20 0 DBADRM C[C@H](O)[C@H](NS(=O)(=O)c1cc(Cl)cnc1N)C(=O)[O-] ZINC000274967598 130277864 /nfs/dbraw/zinc/27/78/64/130277864.db2.gz VXGHFHQYWHTGPZ-FFWSUHOLSA-N -1 0 309.731 -0.571 20 0 DBADRM COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000274974459 130278382 /nfs/dbraw/zinc/27/83/82/130278382.db2.gz WTSNMZYRGRFWCX-SNVBAGLBSA-N -1 0 317.319 -0.662 20 0 DBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1cccc2nonc21 ZINC000274969081 130278388 /nfs/dbraw/zinc/27/83/88/130278388.db2.gz WEHCLTQKQJYHTN-SSDOTTSWSA-N -1 0 301.280 -0.663 20 0 DBADRM COC(=O)c1ccccc1CS(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000274974457 130278986 /nfs/dbraw/zinc/27/89/86/130278986.db2.gz WTSNMZYRGRFWCX-JTQLQIEISA-N -1 0 317.319 -0.662 20 0 DBADRM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000275007331 130283118 /nfs/dbraw/zinc/28/31/18/130283118.db2.gz WCIKZIGSOWEADT-NKWVEPMBSA-N -1 0 301.372 -0.391 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)CCCC(=O)OC)C(=O)[O-] ZINC000275038773 130284721 /nfs/dbraw/zinc/28/47/21/130284721.db2.gz QXHIOLGXGLIHGK-VIFPVBQESA-N -1 0 309.340 -0.319 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(C)(C)CC(=O)[O-])cc1C(N)=O ZINC000275060071 130287462 /nfs/dbraw/zinc/28/74/62/130287462.db2.gz URNQZIVTWZVKCX-UHFFFAOYSA-N -1 0 317.367 -0.097 20 0 DBADRM COCCc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc1 ZINC000275068110 130289840 /nfs/dbraw/zinc/28/98/40/130289840.db2.gz KTERSGZUHKLLCA-LBPRGKRZSA-N -1 0 317.363 -0.011 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000275075573 130290176 /nfs/dbraw/zinc/29/01/76/130290176.db2.gz XNQAMSURJGLMOI-VIFPVBQESA-N -1 0 303.340 -0.171 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)CCC(=O)N1CCOCC1 ZINC000275099877 130291951 /nfs/dbraw/zinc/29/19/51/130291951.db2.gz CSOVLAHFXQLLKO-UHFFFAOYSA-N -1 0 310.310 -0.226 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000275256696 130301669 /nfs/dbraw/zinc/30/16/69/130301669.db2.gz IHDFSVJSVPLHAP-RNFRBKRXSA-N -1 0 323.758 -0.410 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000275307212 130303892 /nfs/dbraw/zinc/30/38/92/130303892.db2.gz NTVVCBBCRVYIDR-APPZFPTMSA-N -1 0 315.303 -0.376 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000275307226 130304888 /nfs/dbraw/zinc/30/48/88/130304888.db2.gz NTVVCBBCRVYIDR-VXNVDRBHSA-N -1 0 315.303 -0.376 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000275362766 130307829 /nfs/dbraw/zinc/30/78/29/130307829.db2.gz VFJUDLNJTLALDX-RNFRBKRXSA-N -1 0 321.742 -0.474 20 0 DBADRM COc1cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])ccc1F ZINC000276154294 130447070 /nfs/dbraw/zinc/44/70/70/130447070.db2.gz CJKNEKASYJXIOS-SECBINFHSA-N -1 0 307.299 -0.052 20 0 DBADRM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)NCC(C)C ZINC000505418833 391910558 /nfs/dbraw/zinc/91/05/58/391910558.db2.gz CGKAXROOQLSERW-WDEREUQCSA-N -1 0 315.395 -0.220 20 0 DBADRM O=C(Nc1ccc(N2CCNC(=O)C2)nc1)c1cc(=O)[nH][n-]1 ZINC000646667535 391925715 /nfs/dbraw/zinc/92/57/15/391925715.db2.gz XFNHWXNIRZIIGL-UHFFFAOYSA-N -1 0 302.294 -0.301 20 0 DBADRM CCC[C@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)c1nnn[n-]1 ZINC000648815423 391983928 /nfs/dbraw/zinc/98/39/28/391983928.db2.gz QFVPDNMILODDTF-JGVFFNPUSA-N -1 0 302.360 -0.809 20 0 DBADRM CCCc1nc(=NC(=O)C(=O)N(C)CCNC(C)=O)s[n-]1 ZINC000646805483 391943373 /nfs/dbraw/zinc/94/33/73/391943373.db2.gz CWSFWWFVDTXYFT-UHFFFAOYSA-N -1 0 313.383 -0.555 20 0 DBADRM CCN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000231816120 391967899 /nfs/dbraw/zinc/96/78/99/391967899.db2.gz UMJIVYRGJIMING-UHFFFAOYSA-N -1 0 316.335 -0.105 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000649160027 392014167 /nfs/dbraw/zinc/01/41/67/392014167.db2.gz ANNSQSKCMVDZHN-LURJTMIESA-N -1 0 303.278 -0.304 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000649453871 392072910 /nfs/dbraw/zinc/07/29/10/392072910.db2.gz OKQXTLWFIYSCKX-JTQLQIEISA-N -1 0 306.384 -0.117 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCCCn2cncn2)C1 ZINC000381969923 392082887 /nfs/dbraw/zinc/08/28/87/392082887.db2.gz BKSIJXDTBXQKPS-ZDUSSCGKSA-N -1 0 311.342 -0.199 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC000554433350 392093798 /nfs/dbraw/zinc/09/37/98/392093798.db2.gz HSLDTKGUKSJCRR-MRVPVSSYSA-N -1 0 305.356 -0.425 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N[C@@H](CCF)C(=O)[O-])C1 ZINC000649530936 392087490 /nfs/dbraw/zinc/08/74/90/392087490.db2.gz POYCGINGRJGULM-YUMQZZPRSA-N -1 0 311.335 -0.868 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)[C@@H]1CCCN1C(=O)C1CC1 ZINC000649212725 392019875 /nfs/dbraw/zinc/01/98/75/392019875.db2.gz RKOXSEMSFUJPLL-JTQLQIEISA-N -1 0 307.354 -0.040 20 0 DBADRM CN1CC[C@H](C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])S1(=O)=O ZINC000649250000 392022852 /nfs/dbraw/zinc/02/28/52/392022852.db2.gz YVWDLYRNVXXWIC-UKKRHICBSA-N -1 0 316.379 -0.268 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCCC[C@@H]2CC(=O)[O-])S1(=O)=O ZINC000649247792 392023067 /nfs/dbraw/zinc/02/30/67/392023067.db2.gz LIMAUBAJCGJEDH-ZJUUUORDSA-N -1 0 304.368 -0.124 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)S1(=O)=O ZINC000649248211 392023096 /nfs/dbraw/zinc/02/30/96/392023096.db2.gz LMRMAUVYYLCVHO-OPRDCNLKSA-N -1 0 320.367 -0.984 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)S1(=O)=O ZINC000649248208 392023114 /nfs/dbraw/zinc/02/31/14/392023114.db2.gz LMRMAUVYYLCVHO-AEJSXWLSSA-N -1 0 320.367 -0.984 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000649362043 392059276 /nfs/dbraw/zinc/05/92/76/392059276.db2.gz IGVVTMSIIPWWNI-LLVKDONJSA-N -1 0 318.326 -0.041 20 0 DBADRM C[C@H]1CN(c2ncc(C(=O)[O-])cn2)CCN1S(C)(=O)=O ZINC000649397558 392062591 /nfs/dbraw/zinc/06/25/91/392062591.db2.gz FXKYVMFKNZXVMX-QMMMGPOBSA-N -1 0 300.340 -0.355 20 0 DBADRM O=C([O-])c1ccc(NCCCN2CCCS2(=O)=O)nn1 ZINC000649387938 392063427 /nfs/dbraw/zinc/06/34/27/392063427.db2.gz QWUTWTFAPWJLHY-UHFFFAOYSA-N -1 0 300.340 -0.566 20 0 DBADRM O=C([O-])/C=C/CNS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000278842545 130722192 /nfs/dbraw/zinc/72/21/92/130722192.db2.gz ZZWRRNASVMHVDN-OWOJBTEDSA-N -1 0 306.340 -0.700 20 0 DBADRM CC1(C)CN(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)CCO1 ZINC000554539337 392095316 /nfs/dbraw/zinc/09/53/16/392095316.db2.gz XTNZIBOHUQVLCP-UHFFFAOYSA-N -1 0 322.383 -0.435 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)CN2CCOCC2=O)s[n-]1 ZINC000554720592 392098488 /nfs/dbraw/zinc/09/84/88/392098488.db2.gz NEBUDUXAUXKJPJ-ZETCQYMHSA-N -1 0 300.340 -0.535 20 0 DBADRM CC(=O)NCCN(C(=O)c1n[nH]c2c1CCC2)[C@H](C)C(=O)[O-] ZINC000554613514 392098855 /nfs/dbraw/zinc/09/88/55/392098855.db2.gz CQHFYBRBQNNOTP-MRVPVSSYSA-N -1 0 308.338 -0.050 20 0 DBADRM CCCc1nc(=NC(=O)NCCN2C(=O)CNC2=O)s[n-]1 ZINC000554935931 392101185 /nfs/dbraw/zinc/10/11/85/392101185.db2.gz NGWXJRXTCFOUOG-UHFFFAOYSA-N -1 0 312.355 -0.414 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)CCC1CCOCC1 ZINC000555705624 392111387 /nfs/dbraw/zinc/11/13/87/392111387.db2.gz YXNBTKLYQFWINN-UHFFFAOYSA-N -1 0 322.383 -0.687 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000555695085 392112389 /nfs/dbraw/zinc/11/23/89/392112389.db2.gz PMAAFRWRXRYSRI-POYBYMJQSA-N -1 0 323.758 -0.159 20 0 DBADRM CC(C)(C)c1nc(=NC(=O)Cn2cnc(C(N)=O)n2)s[n-]1 ZINC000649683762 392115498 /nfs/dbraw/zinc/11/54/98/392115498.db2.gz SCIBSZWBOYJKNW-UHFFFAOYSA-N -1 0 309.355 -0.413 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cnc2c(c1)NC(=O)CS2 ZINC000280090452 130782190 /nfs/dbraw/zinc/78/21/90/130782190.db2.gz LNZDBRVOPPISRJ-UHFFFAOYSA-N -1 0 321.318 -0.225 20 0 DBADRM COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000352887375 392129015 /nfs/dbraw/zinc/12/90/15/392129015.db2.gz XPZHSOCCIAOUDS-YUMQZZPRSA-N -1 0 319.339 -0.834 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000281211952 130844913 /nfs/dbraw/zinc/84/49/13/130844913.db2.gz MYEBXTBDZJMYJG-SSDOTTSWSA-N -1 0 308.260 -0.094 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000282153282 130903515 /nfs/dbraw/zinc/90/35/15/130903515.db2.gz FUJZCIPVKWAWQK-QMMMGPOBSA-N -1 0 313.339 -0.268 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1 ZINC000282857922 130943899 /nfs/dbraw/zinc/94/38/99/130943899.db2.gz OGGPSOKELZUUDK-UHFFFAOYSA-N -1 0 310.331 -0.132 20 0 DBADRM CCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000035133767 392352076 /nfs/dbraw/zinc/35/20/76/392352076.db2.gz MFAKLXFRYTWVSW-UHFFFAOYSA-N -1 0 316.335 -0.192 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000035085421 392350014 /nfs/dbraw/zinc/35/00/14/392350014.db2.gz FIMGSOJNMBGHAH-UHFFFAOYSA-N -1 0 312.347 -0.346 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnc2n1CCCC2 ZINC000370305664 392357820 /nfs/dbraw/zinc/35/78/20/392357820.db2.gz NDXJEIQMPSJWLY-UHFFFAOYSA-N -1 0 314.367 -0.585 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)CC(=O)N(C)C2CC2)[n-]1 ZINC000285045195 131133476 /nfs/dbraw/zinc/13/34/76/131133476.db2.gz HDXSXAZPDAFSQN-UHFFFAOYSA-N -1 0 301.324 -0.409 20 0 DBADRM CC[C@H](C)NC(=O)CS(=O)(=O)c1ncc(C(=O)OC)[n-]1 ZINC000285222500 131148999 /nfs/dbraw/zinc/14/89/99/131148999.db2.gz WXGBWENCRAFUPP-ZETCQYMHSA-N -1 0 303.340 -0.115 20 0 DBADRM C[C@H](O)[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)[O-] ZINC000037374570 392372124 /nfs/dbraw/zinc/37/21/24/392372124.db2.gz KQZOPWVNAANQQY-XNCJUZBTSA-N -1 0 317.348 -0.196 20 0 DBADRM C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)CNC(=O)[O-] ZINC000285852197 131205333 /nfs/dbraw/zinc/20/53/33/131205333.db2.gz ZDIYSMRHLXHRGB-LBPRGKRZSA-N -1 0 321.381 -0.024 20 0 DBADRM CC(C)C[C@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC000037429930 392373276 /nfs/dbraw/zinc/37/32/76/392373276.db2.gz CFKDEFRWJSDABE-VIFPVBQESA-N -1 0 317.367 -0.098 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cc1 ZINC000037414772 392373357 /nfs/dbraw/zinc/37/33/57/392373357.db2.gz BMUAMDCBIQAQLL-OIBJUYFYSA-N -1 0 317.319 -0.415 20 0 DBADRM Cc1ccc(F)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000037462745 392373892 /nfs/dbraw/zinc/37/38/92/392373892.db2.gz JYGRNCGJQYVQCW-QMMMGPOBSA-N -1 0 304.299 -0.259 20 0 DBADRM COC(=O)c1ccc(CS(=O)(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000037465392 392375072 /nfs/dbraw/zinc/37/50/72/392375072.db2.gz CTXCFHHOTFRKIM-SNVBAGLBSA-N -1 0 317.319 -0.662 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC000037465322 392375224 /nfs/dbraw/zinc/37/52/24/392375224.db2.gz BRWGFFFPOMNXKN-JTQLQIEISA-N -1 0 322.383 -0.185 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000286602340 131243573 /nfs/dbraw/zinc/24/35/73/131243573.db2.gz LIAJLKVYBNIWTC-UHFFFAOYSA-N -1 0 306.369 -0.484 20 0 DBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cn(C)nc1C ZINC000287626561 131291235 /nfs/dbraw/zinc/29/12/35/131291235.db2.gz SWTMLRUAQMFUGF-VIFPVBQESA-N -1 0 305.356 -0.161 20 0 DBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2cn(C)nc2C)n1 ZINC000288648510 131333703 /nfs/dbraw/zinc/33/37/03/131333703.db2.gz XZDSFXBENRBMPY-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM CCC[C@@H]1C(=O)NCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC000646950193 392389375 /nfs/dbraw/zinc/38/93/75/392389375.db2.gz HSMHBGIAINQESB-SNVBAGLBSA-N -1 0 303.322 -0.237 20 0 DBADRM Cc1nc(S(=O)(=O)NCCCN2CCOCC2)cn1C ZINC000034466709 392414511 /nfs/dbraw/zinc/41/45/11/392414511.db2.gz WTZLUXPVXRLTCQ-UHFFFAOYSA-N -1 0 302.400 -0.271 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCNC(=O)C2)sc1C(=O)[O-] ZINC000037238649 392416965 /nfs/dbraw/zinc/41/69/65/392416965.db2.gz QESNWCRWXRADTN-UHFFFAOYSA-N -1 0 304.349 -0.125 20 0 DBADRM CCC[C@H](O)[C@@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000556417215 392422071 /nfs/dbraw/zinc/42/20/71/392422071.db2.gz VXDUVXPLSABYFZ-KXUCPTDWSA-N -1 0 322.383 -0.571 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000556773986 392427492 /nfs/dbraw/zinc/42/74/92/392427492.db2.gz URNSUARWNSRHPQ-NXEZZACHSA-N -1 0 317.367 -0.113 20 0 DBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)C[C@@H](OC)C(C)C)n1 ZINC000647266912 392529838 /nfs/dbraw/zinc/52/98/38/392529838.db2.gz FFZAKRFYYUBBMS-SECBINFHSA-N -1 0 319.387 -0.563 20 0 DBADRM CC1(C)CN(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)CCO1 ZINC000583435989 392532198 /nfs/dbraw/zinc/53/21/98/392532198.db2.gz MTJZUQUGNRYWFC-LBPRGKRZSA-N -1 0 322.383 -0.435 20 0 DBADRM C[C@@H]1CN(C(=O)N2CCS(=O)(=O)CC2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC000574812961 392539404 /nfs/dbraw/zinc/53/94/04/392539404.db2.gz MMZOJTUTZKYOFQ-BBBLOLIVSA-N -1 0 320.367 -0.601 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000647175813 392474545 /nfs/dbraw/zinc/47/45/45/392474545.db2.gz HXPWRLUUQJOWKC-KXUCPTDWSA-N -1 0 318.395 -0.117 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000647219800 392484654 /nfs/dbraw/zinc/48/46/54/392484654.db2.gz ZOFYJSBWOZOTIX-NSHDSACASA-N -1 0 307.306 -0.491 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)CC(C)(C)C(=O)OC ZINC000554530935 392496169 /nfs/dbraw/zinc/49/61/69/392496169.db2.gz ASZNVRQYFRPVEM-UHFFFAOYSA-N -1 0 311.356 -0.452 20 0 DBADRM CC(C)CCC(=O)NCC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000370854409 392507605 /nfs/dbraw/zinc/50/76/05/392507605.db2.gz YISUTOUPOFVVHT-JTQLQIEISA-N -1 0 310.358 -0.348 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000370853730 392507835 /nfs/dbraw/zinc/50/78/35/392507835.db2.gz UPYXZZUILNDUDY-QMMMGPOBSA-N -1 0 312.330 -0.376 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000559922636 392512739 /nfs/dbraw/zinc/51/27/39/392512739.db2.gz UUAVDGVERQRTSI-VIFPVBQESA-N -1 0 303.340 -0.062 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)o1 ZINC000559921420 392513113 /nfs/dbraw/zinc/51/31/13/392513113.db2.gz UQUUBEUTVVITBN-MRVPVSSYSA-N -1 0 319.291 -0.460 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1C ZINC000559915911 392513526 /nfs/dbraw/zinc/51/35/26/392513526.db2.gz AFPTYTZRJHHWBY-JTQLQIEISA-N -1 0 317.367 -0.006 20 0 DBADRM CC(C)OCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000402631128 392553202 /nfs/dbraw/zinc/55/32/02/392553202.db2.gz FGHUKCPRVNVWQS-JTQLQIEISA-N -1 0 305.356 -0.110 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NCc1ccc(C(=O)[O-])cc1)C(N)=O ZINC000427985099 392565773 /nfs/dbraw/zinc/56/57/73/392565773.db2.gz RVNYTCMVIQHMAL-NSHDSACASA-N -1 0 307.306 -0.619 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000168816722 392570852 /nfs/dbraw/zinc/57/08/52/392570852.db2.gz NFZKBZNBQPCDKC-MRVPVSSYSA-N -1 0 320.323 -0.024 20 0 DBADRM CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000443521618 392572487 /nfs/dbraw/zinc/57/24/87/392572487.db2.gz JLXJCSBVMCPLFB-HTRCEHHLSA-N -1 0 305.360 -0.910 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CS(=O)(=O)C(C)C ZINC000643849604 392573218 /nfs/dbraw/zinc/57/32/18/392573218.db2.gz BOSVWEHBHBBPME-LBPRGKRZSA-N -1 0 307.368 -0.098 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000643849148 392574055 /nfs/dbraw/zinc/57/40/55/392574055.db2.gz UWCXQSWFNUBSPA-JOYOIKCWSA-N -1 0 305.352 -0.487 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc2nnnn2c1 ZINC000643851297 392574353 /nfs/dbraw/zinc/57/43/53/392574353.db2.gz HVAFQAQSIIQOFI-ZDUSSCGKSA-N -1 0 305.294 -0.170 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000643879452 392580742 /nfs/dbraw/zinc/58/07/42/392580742.db2.gz SLPPKQNTYWPGRP-IINYFYTJSA-N -1 0 315.370 -0.855 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N[C@H]2CCCNC2=O)c1 ZINC000647481046 392592080 /nfs/dbraw/zinc/59/20/80/392592080.db2.gz XNRXYRGDXQYQIT-JTQLQIEISA-N -1 0 305.290 -0.282 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2)C(=O)[O-] ZINC000647488343 392596719 /nfs/dbraw/zinc/59/67/19/392596719.db2.gz NSMFQYIFTHWJQF-QMMMGPOBSA-N -1 0 321.289 -0.065 20 0 DBADRM C[C@@H](CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C[C@H](C)O ZINC000153863913 392597306 /nfs/dbraw/zinc/59/73/06/392597306.db2.gz ZGFGKNHYOJJPQG-SFYZADRCSA-N -1 0 306.322 -0.252 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C[C@H]1CCOC1 ZINC000643972043 392602930 /nfs/dbraw/zinc/60/29/30/392602930.db2.gz JDYRLCMNGFPAJC-JQWIXIFHSA-N -1 0 307.368 -0.082 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000643971283 392603415 /nfs/dbraw/zinc/60/34/15/392603415.db2.gz HSTXVWBLLGRPNZ-CABZTGNLSA-N -1 0 322.383 -0.642 20 0 DBADRM CC(C)CCS(=O)(=O)N1Cc2nncn2C[C@@H]1C(=O)[O-] ZINC000643972747 392604399 /nfs/dbraw/zinc/60/43/99/392604399.db2.gz YTVGOIVOOVQDBL-SECBINFHSA-N -1 0 302.356 -0.077 20 0 DBADRM C[C@]1(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCCOC1 ZINC000424231248 392665297 /nfs/dbraw/zinc/66/52/97/392665297.db2.gz AYOZYKUUFLVFSM-SKDRFNHKSA-N -1 0 305.352 -0.487 20 0 DBADRM CC[C@@H]1CC[C@H](C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)O1 ZINC000424237099 392665365 /nfs/dbraw/zinc/66/53/65/392665365.db2.gz HNPMMSGMPRILDU-BBBLOLIVSA-N -1 0 305.352 -0.346 20 0 DBADRM CCOCCO[C@H](C)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424233480 392665845 /nfs/dbraw/zinc/66/58/45/392665845.db2.gz DGMPOFFRSHSALG-ZJUUUORDSA-N -1 0 323.367 -0.862 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)COCC(F)(F)F)CCS1(=O)=O ZINC000424243531 392666819 /nfs/dbraw/zinc/66/68/19/392666819.db2.gz NDPGSUVBSOAROJ-LURJTMIESA-N -1 0 319.257 -0.725 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)CCS1(=O)=O ZINC000424248669 392667075 /nfs/dbraw/zinc/66/70/75/392667075.db2.gz SJKKZACDAVKRKY-UWVGGRQHSA-N -1 0 305.352 -0.344 20 0 DBADRM COCCC1(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000424266548 392667179 /nfs/dbraw/zinc/66/71/79/392667179.db2.gz WXNBRCZXWIASCU-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM CC(C)COCCC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424253698 392667522 /nfs/dbraw/zinc/66/75/22/392667522.db2.gz XYHIFLCOHDXQRN-SNVBAGLBSA-N -1 0 307.368 -0.241 20 0 DBADRM CCCCO[C@@H](C)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424248725 392667545 /nfs/dbraw/zinc/66/75/45/392667545.db2.gz SMCXVPLKHFUERO-UWVGGRQHSA-N -1 0 307.368 -0.098 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H](O)C2CCCCC2)CCS1(=O)=O ZINC000424255753 392667632 /nfs/dbraw/zinc/66/76/32/392667632.db2.gz ZXGSKKXSSYCVAK-WDEREUQCSA-N -1 0 319.379 -0.362 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]2F)CCS1(=O)=O ZINC000424394840 392668332 /nfs/dbraw/zinc/66/83/32/392668332.db2.gz DTTSEKVSWRUEAW-YIZRAAEISA-N -1 0 308.331 -0.230 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Nc2ccc(F)cn2)CCS1(=O)=O ZINC000424387359 392668396 /nfs/dbraw/zinc/66/83/96/392668396.db2.gz XGHLPIYKEVZZDI-MRVPVSSYSA-N -1 0 317.298 -0.064 20 0 DBADRM CO[C@@H]1CCC[C@H]1NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424399212 392668502 /nfs/dbraw/zinc/66/85/02/392668502.db2.gz PQRZYTBYCSHARL-OPRDCNLKSA-N -1 0 320.367 -0.553 20 0 DBADRM CO[C@H](C)CCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424399100 392668579 /nfs/dbraw/zinc/66/85/79/392668579.db2.gz WRUISXXYCFRKSH-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM COCCCCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424395892 392668708 /nfs/dbraw/zinc/66/87/08/392668708.db2.gz POBLIPSRFAVXQU-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM CCOCCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424389565 392668766 /nfs/dbraw/zinc/66/87/66/392668766.db2.gz LPOGFAISQIJRAJ-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM CO[C@@H]1CCC[C@H]1NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424399211 392668921 /nfs/dbraw/zinc/66/89/21/392668921.db2.gz PQRZYTBYCSHARL-BBBLOLIVSA-N -1 0 320.367 -0.553 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC2CCSCC2)CCS1(=O)=O ZINC000424391780 392668998 /nfs/dbraw/zinc/66/89/98/392668998.db2.gz IKOIPGLZFXJASW-SECBINFHSA-N -1 0 322.408 -0.225 20 0 DBADRM COC[C@@H](C)CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424402991 392670406 /nfs/dbraw/zinc/67/04/06/392670406.db2.gz DWYJSHBWVNBAKL-DTWKUNHWSA-N -1 0 308.356 -0.838 20 0 DBADRM C[C@@]1(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCOC1 ZINC000424416605 392670724 /nfs/dbraw/zinc/67/07/24/392670724.db2.gz VCAMHMLHWRVXQS-CABZTGNLSA-N -1 0 320.367 -0.694 20 0 DBADRM Cc1cc2c(N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)nccn2n1 ZINC000424464585 392671814 /nfs/dbraw/zinc/67/18/14/392671814.db2.gz DYMAEKPCOFKYRU-JTQLQIEISA-N -1 0 310.335 -0.274 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NC[C@@]2(OC)CCOC2)C1 ZINC000319245154 392623182 /nfs/dbraw/zinc/62/31/82/392623182.db2.gz YHXNPJCMBUOWCH-KBPBESRZSA-N -1 0 316.354 -0.075 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NC[C@]2(OC)CCOC2)C1 ZINC000319245160 392623277 /nfs/dbraw/zinc/62/32/77/392623277.db2.gz YHXNPJCMBUOWCH-UONOGXRCSA-N -1 0 316.354 -0.075 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000319248520 392624828 /nfs/dbraw/zinc/62/48/28/392624828.db2.gz YZRXPUHPPDHBOR-IINYFYTJSA-N -1 0 315.370 -0.014 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H](O)C2CC2)C[C@@H]1C(=O)[O-] ZINC000647506373 392626413 /nfs/dbraw/zinc/62/64/13/392626413.db2.gz RMJYZDBJDUSXAP-USWWRNFRSA-N -1 0 312.366 -0.215 20 0 DBADRM CC(C)(C)OCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000644175970 392629844 /nfs/dbraw/zinc/62/98/44/392629844.db2.gz SXFCHJSOPSQUGO-SECBINFHSA-N -1 0 322.383 -0.305 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CCc2c[nH]nc2C1)C(=O)[O-] ZINC000644202972 392695064 /nfs/dbraw/zinc/69/50/64/392695064.db2.gz WURZTRSAIBAKTP-UHFFFAOYSA-N -1 0 308.338 -0.089 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCCn2cncn2)C[C@H]1C(=O)[O-] ZINC000647579594 392647735 /nfs/dbraw/zinc/64/77/35/392647735.db2.gz BZAOMJNYEISRQR-GHMZBOCLSA-N -1 0 323.353 -0.646 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)ncn1 ZINC000647584102 392647856 /nfs/dbraw/zinc/64/78/56/392647856.db2.gz RZMJKAQCBHNVHQ-CABZTGNLSA-N -1 0 320.349 -0.030 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647582473 392647905 /nfs/dbraw/zinc/64/79/05/392647905.db2.gz CSGUGILVDLJDIL-JTQLQIEISA-N -1 0 323.353 -0.504 20 0 DBADRM COCCOCCCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647579263 392648008 /nfs/dbraw/zinc/64/80/08/392648008.db2.gz KGSJIRBCSDMYPH-WDEREUQCSA-N -1 0 316.354 -0.475 20 0 DBADRM C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1cnn(C)c1 ZINC000647583845 392648029 /nfs/dbraw/zinc/64/80/29/392648029.db2.gz HYJAMDHSIWDCDF-ATZCPNFKSA-N -1 0 308.338 -0.033 20 0 DBADRM Cn1cc(CCCNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cn1 ZINC000647582634 392648087 /nfs/dbraw/zinc/64/80/87/392648087.db2.gz MDADMZABFDEDGI-NWDGAFQWSA-N -1 0 322.365 -0.162 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647582664 392648222 /nfs/dbraw/zinc/64/82/22/392648222.db2.gz NNXUVCFXVQKBSZ-KXUCPTDWSA-N -1 0 309.326 -0.848 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCc2cn(C)nn2)C[C@@H]1C(=O)[O-] ZINC000647586145 392649305 /nfs/dbraw/zinc/64/93/05/392649305.db2.gz PLIGYLCGOYECEI-WPRPVWTQSA-N -1 0 309.326 -1.000 20 0 DBADRM COCCOC[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647585357 392649362 /nfs/dbraw/zinc/64/93/62/392649362.db2.gz NUQIFHIPIKFEED-OUAUKWLOSA-N -1 0 316.354 -0.476 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCC(C)(C)O)C[C@H]1C(=O)[O-] ZINC000647585178 392649669 /nfs/dbraw/zinc/64/96/69/392649669.db2.gz GOTLZOIMCHYDHZ-VHSXEESVSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC(=O)N1C ZINC000647593029 392650885 /nfs/dbraw/zinc/65/08/85/392650885.db2.gz YTEHGCBNMYUEGU-LPEHRKFASA-N -1 0 311.338 -0.955 20 0 DBADRM CC(C)NC(=O)CCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647591349 392650999 /nfs/dbraw/zinc/65/09/99/392650999.db2.gz VRYSVAQPMTYMAP-VHSXEESVSA-N -1 0 313.354 -0.613 20 0 DBADRM CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647591617 392651024 /nfs/dbraw/zinc/65/10/24/392651024.db2.gz FIUBUKZHGKGKRX-YFKTTZPYSA-N -1 0 312.366 -0.025 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C(=O)[O-] ZINC000647617711 392655580 /nfs/dbraw/zinc/65/55/80/392655580.db2.gz HBBVDABKWKBXOY-HKPALBBZSA-N -1 0 303.340 -0.031 20 0 DBADRM NC(=O)[C@H](O)CNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000647626325 392655814 /nfs/dbraw/zinc/65/58/14/392655814.db2.gz NBOUFJWOQSKATM-SECBINFHSA-N -1 0 324.724 -0.193 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)CCC[C@@H]2CCOC2)CCO1 ZINC000647639489 392661004 /nfs/dbraw/zinc/66/10/04/392661004.db2.gz AFDPFUADWCMRJX-GHMZBOCLSA-N -1 0 307.368 -0.082 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])c[nH]1 ZINC000275059815 292004286 /nfs/dbraw/zinc/00/42/86/292004286.db2.gz YPYVDZZHWBNRJB-MRVPVSSYSA-N -1 0 320.348 -0.051 20 0 DBADRM C[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000647755332 392841254 /nfs/dbraw/zinc/84/12/54/392841254.db2.gz AKDDFRREDXDRAE-IUCAKERBSA-N -1 0 306.384 -0.117 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC ZINC000497218404 392803785 /nfs/dbraw/zinc/80/37/85/392803785.db2.gz JEVJSMWPGQRZRU-JGVFFNPUSA-N -1 0 324.355 -0.624 20 0 DBADRM CN(C)C(=O)Cn1ccc(=NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)[nH]1 ZINC000647695045 392814464 /nfs/dbraw/zinc/81/44/64/392814464.db2.gz FXIALMZXRIUUQM-VHSXEESVSA-N -1 0 323.353 -0.232 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000020560225 392827226 /nfs/dbraw/zinc/82/72/26/392827226.db2.gz UJWRZOCBDWSWGF-ZETCQYMHSA-N -1 0 304.328 -0.976 20 0 DBADRM CN1CC[C@@H](C(=O)NC2CCC(C(=O)[O-])CC2)S1(=O)=O ZINC000647729037 392828926 /nfs/dbraw/zinc/82/89/26/392828926.db2.gz WYBDUSCFLHAAHW-RTBKNWGFSA-N -1 0 304.368 -0.220 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000647738060 392833213 /nfs/dbraw/zinc/83/32/13/392833213.db2.gz TUJQUWMGBAQLKF-MRVPVSSYSA-N -1 0 307.372 -0.871 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000647742851 392835881 /nfs/dbraw/zinc/83/58/81/392835881.db2.gz PHMZFNHIPZEGLQ-BBBLOLIVSA-N -1 0 304.368 -0.268 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000647742854 392836079 /nfs/dbraw/zinc/83/60/79/392836079.db2.gz PHMZFNHIPZEGLQ-UTLUCORTSA-N -1 0 304.368 -0.268 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000261688900 392899847 /nfs/dbraw/zinc/89/98/47/392899847.db2.gz MUQHSZXYNJXRQV-MRVPVSSYSA-N -1 0 317.323 -0.176 20 0 DBADRM Cn1cc(N2CC[C@@H](NS(=O)(=O)c3ncc[n-]3)C2=O)cn1 ZINC000647898838 392919392 /nfs/dbraw/zinc/91/93/92/392919392.db2.gz PYHZZLINYXPNHY-SECBINFHSA-N -1 0 310.339 -0.773 20 0 DBADRM Cc1nc(CN2CCN(S(=O)(=O)c3ncc[n-]3)CC2)no1 ZINC000647898732 392919448 /nfs/dbraw/zinc/91/94/48/392919448.db2.gz LYDRTOJLFWNISH-UHFFFAOYSA-N -1 0 312.355 -0.392 20 0 DBADRM NS(=O)(=O)c1cccc(S(=O)(=O)NC2(C(=O)[O-])CC2)c1 ZINC000201852483 392904569 /nfs/dbraw/zinc/90/45/69/392904569.db2.gz QJPJZGYEGMJNJR-UHFFFAOYSA-N -1 0 320.348 -0.771 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)NC[C@@](C)(O)CO)cc2=O)cc1 ZINC000338621028 392859383 /nfs/dbraw/zinc/85/93/83/392859383.db2.gz NOEVVHVFIZCJHV-OAHLLOKOSA-N -1 0 305.334 -0.053 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC(=O)N1 ZINC000571045709 392859704 /nfs/dbraw/zinc/85/97/04/392859704.db2.gz DKDBIVVECSCJQA-QMMMGPOBSA-N -1 0 305.290 -0.330 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCOC3(CCC3)C2)cn1 ZINC000571044474 392860024 /nfs/dbraw/zinc/86/00/24/392860024.db2.gz XYHBHLDTYHIASA-UHFFFAOYSA-N -1 0 315.351 -0.089 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000647780724 392875741 /nfs/dbraw/zinc/87/57/41/392875741.db2.gz LFMLUTPFEYDBNM-SSDOTTSWSA-N -1 0 313.339 -0.387 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)Nc2ncn(CC(=O)[O-])n2)CC1=O ZINC000647780928 392876453 /nfs/dbraw/zinc/87/64/53/392876453.db2.gz UDNIDWIVOKUSLY-VIFPVBQESA-N -1 0 309.326 -0.194 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)n1 ZINC000647780812 392876517 /nfs/dbraw/zinc/87/65/17/392876517.db2.gz OMRPSLFWWXLEAW-SNVBAGLBSA-N -1 0 321.337 -0.050 20 0 DBADRM O=C(CN1[N-]S(=O)(=O)c2ccccc2C1=O)N1CCCC1 ZINC000298160168 132048901 /nfs/dbraw/zinc/04/89/01/132048901.db2.gz SLFGERQAMCLJPO-UHFFFAOYSA-N -1 0 309.347 -0.042 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCN(C2CCOCC2)CC1 ZINC000647900593 392920874 /nfs/dbraw/zinc/92/08/74/392920874.db2.gz QZJRLBSOOXZOHZ-UHFFFAOYSA-N -1 0 300.384 -0.105 20 0 DBADRM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)[N-]OCC(N)=O)C2=O ZINC000298835737 132079167 /nfs/dbraw/zinc/07/91/67/132079167.db2.gz DAHQKKKQRBGSPU-QMMMGPOBSA-N -1 0 305.290 -0.487 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)Cn2cccn2)s1 ZINC000298961627 132084146 /nfs/dbraw/zinc/08/41/46/132084146.db2.gz XWFICAZNAFMWGQ-UHFFFAOYSA-N -1 0 302.341 -0.255 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NS(=O)(=O)N1CCOCC1 ZINC000647928637 392937786 /nfs/dbraw/zinc/93/77/86/392937786.db2.gz QNYIWFPREXCHRV-LLVKDONJSA-N -1 0 315.351 -0.756 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cn1 ZINC000647928462 392937798 /nfs/dbraw/zinc/93/77/98/392937798.db2.gz MRKQSDPMCRQMFQ-NSHDSACASA-N -1 0 310.335 -0.211 20 0 DBADRM COCCOCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000299210952 132093724 /nfs/dbraw/zinc/09/37/24/132093724.db2.gz GYKCVCDXAJOMKM-UHFFFAOYSA-N -1 0 308.294 -0.171 20 0 DBADRM CCOC(=O)NCC(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000299256238 132095817 /nfs/dbraw/zinc/09/58/17/132095817.db2.gz OFPBFBZZDNAZRQ-UHFFFAOYSA-N -1 0 309.322 -0.016 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000647929623 392939119 /nfs/dbraw/zinc/93/91/19/392939119.db2.gz BFUDUPQGNPKTLA-NSHDSACASA-N -1 0 317.367 -0.510 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000274807022 392940373 /nfs/dbraw/zinc/94/03/73/392940373.db2.gz POWIJVYLEODZRJ-WCBMZHEXSA-N -1 0 309.322 -0.100 20 0 DBADRM COc1ccsc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000274949323 392940740 /nfs/dbraw/zinc/94/07/40/392940740.db2.gz SKCVYFPJNXWXPW-YFKPBYRVSA-N -1 0 308.337 -0.636 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N(C)C[C@H](C)C(=O)[O-])CC1 ZINC000042702544 132150827 /nfs/dbraw/zinc/15/08/27/132150827.db2.gz MVFISSGDKFXNAH-VIFPVBQESA-N -1 0 322.383 -0.231 20 0 DBADRM O=C(CCNC(=O)c1ccc2n[nH]nc2c1)N1CCOCC1 ZINC000045066784 132165427 /nfs/dbraw/zinc/16/54/27/132165427.db2.gz JRUNONNEVWNOGV-UHFFFAOYSA-N -1 0 303.322 -0.063 20 0 DBADRM COc1cc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)ccc1F ZINC000276384754 392946827 /nfs/dbraw/zinc/94/68/27/392946827.db2.gz QLXSRUYUZSXIDB-UHFFFAOYSA-N -1 0 317.298 -0.078 20 0 DBADRM C[C@H](C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1)S(C)(=O)=O ZINC000532004172 392978519 /nfs/dbraw/zinc/97/85/19/392978519.db2.gz ZGGRMSAEUHUPPF-NXEZZACHSA-N -1 0 307.368 -0.098 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000532001599 392978999 /nfs/dbraw/zinc/97/89/99/392978999.db2.gz ROBZYVZGURRYKE-ZCFIWIBFSA-N -1 0 306.365 -0.083 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)CCOCC1CCCC1 ZINC000416457408 393006941 /nfs/dbraw/zinc/00/69/41/393006941.db2.gz NZDRJQOSYVLQDN-LLVKDONJSA-N -1 0 309.384 -0.354 20 0 DBADRM COc1ccc(C(=O)NCC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000347881467 393100755 /nfs/dbraw/zinc/10/07/55/393100755.db2.gz WBKIOKOQHVTNRK-UHFFFAOYSA-N -1 0 305.294 -0.435 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000428071671 393034368 /nfs/dbraw/zinc/03/43/68/393034368.db2.gz GRVKQMJMHVLGQN-QMMMGPOBSA-N -1 0 318.289 -0.104 20 0 DBADRM CCN(C)S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417449106 393046945 /nfs/dbraw/zinc/04/69/45/393046945.db2.gz XJJGWYLSCMPCDB-NXEZZACHSA-N -1 0 321.399 -0.517 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N2C[C@@H](O)[C@H](CO)C2)c1 ZINC000424885265 393052842 /nfs/dbraw/zinc/05/28/42/393052842.db2.gz CURITMKZQXESOJ-BHIGOGECSA-N -1 0 313.375 -0.386 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)c1cc(Cn2cccn2)on1 ZINC000348808733 393170485 /nfs/dbraw/zinc/17/04/85/393170485.db2.gz JIXZXCFWEDLPDW-UHFFFAOYSA-N -1 0 300.282 -0.148 20 0 DBADRM O=C(NCc1ccc(F)cc1)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000348289948 393137058 /nfs/dbraw/zinc/13/70/58/393137058.db2.gz CVBNLCZHMMPOFC-UHFFFAOYSA-N -1 0 304.285 -0.240 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)c1sccc1-n1cnnn1 ZINC000348291239 393137899 /nfs/dbraw/zinc/13/78/99/393137899.db2.gz APMKHUXGMMOZBW-UHFFFAOYSA-N -1 0 303.311 -0.344 20 0 DBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)NC1(c3nnn[n-]3)CC1)CS2 ZINC000348296353 393139698 /nfs/dbraw/zinc/13/96/98/393139698.db2.gz FWJGEDWLKVQTET-HQJQHLMTSA-N -1 0 308.367 -0.241 20 0 DBADRM CCCc1nc(=NC(=O)NCCC(=O)NC(N)=O)s[n-]1 ZINC000350904951 393257621 /nfs/dbraw/zinc/25/76/21/393257621.db2.gz WPYXELYKUZSSKV-UHFFFAOYSA-N -1 0 300.344 -0.381 20 0 DBADRM O=C(CS(=O)(=O)c1n[nH]c(=O)[n-]1)NCC1CCCCC1 ZINC000350149039 393232366 /nfs/dbraw/zinc/23/23/66/393232366.db2.gz SXTDBUCEINTTEC-UHFFFAOYSA-N -1 0 302.356 -0.020 20 0 DBADRM O=C(CS(=O)(=O)c1n[nH]c(=O)[n-]1)NCc1ccccc1F ZINC000350218898 393235484 /nfs/dbraw/zinc/23/54/84/393235484.db2.gz JPIJIAVVVMZZQM-UHFFFAOYSA-N -1 0 314.298 -0.261 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)N(CCO)C[C@H](C)O)s[n-]1 ZINC000350702274 393245129 /nfs/dbraw/zinc/24/51/29/393245129.db2.gz BDKOLLATGSMFNY-JGVFFNPUSA-N -1 0 304.372 -0.126 20 0 DBADRM C[C@@H](NC(=O)COc1ccccc1)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000349046806 393186114 /nfs/dbraw/zinc/18/61/14/393186114.db2.gz LEBHONHXPLVIJE-MEBBXXQBSA-N -1 0 324.333 -0.478 20 0 DBADRM O=C(NCCNC(=O)c1ccn[nH]1)NCc1ncccc1O ZINC000349731838 393214889 /nfs/dbraw/zinc/21/48/89/393214889.db2.gz CWRNUOLKKVDJHP-UHFFFAOYSA-N -1 0 304.310 -0.261 20 0 DBADRM Cc1nc(S(=O)(=O)NCc2nc(-c3ncc[nH]3)no2)cn1C ZINC000349764646 393215844 /nfs/dbraw/zinc/21/58/44/393215844.db2.gz OFWDEERUNLVTCQ-UHFFFAOYSA-N -1 0 323.338 -0.020 20 0 DBADRM COC[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)OC ZINC000351791057 393309245 /nfs/dbraw/zinc/30/92/45/393309245.db2.gz XZGXCIYBSVILJT-MRVPVSSYSA-N -1 0 322.277 -0.646 20 0 DBADRM CC(=O)N1CC(C(=O)Nc2cc(S(N)(=O)=O)ccc2O)C1 ZINC000351892016 393321872 /nfs/dbraw/zinc/32/18/72/393321872.db2.gz IFGCNSHAPAXADG-UHFFFAOYSA-N -1 0 313.335 -0.544 20 0 DBADRM CC[C@H](CO)N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000192023787 393266404 /nfs/dbraw/zinc/26/64/04/393266404.db2.gz BCPAXKJHIPKGHP-SECBINFHSA-N -1 0 319.349 -0.228 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000352534108 393382671 /nfs/dbraw/zinc/38/26/71/393382671.db2.gz DDURLBXFCGZVJS-ZETCQYMHSA-N -1 0 322.277 -0.992 20 0 DBADRM NC(=O)CCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000352786482 393402381 /nfs/dbraw/zinc/40/23/81/393402381.db2.gz IIEBOKQIVXXDEV-UHFFFAOYSA-N -1 0 321.305 -0.765 20 0 DBADRM CN(CC(N)=O)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000352796983 393402788 /nfs/dbraw/zinc/40/27/88/393402788.db2.gz LQEJHZWONODESP-UHFFFAOYSA-N -1 0 321.305 -0.813 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1N1CCOCC1 ZINC000333114130 393352604 /nfs/dbraw/zinc/35/26/04/393352604.db2.gz FZJHYARPVVBGLK-ZYHUDNBSSA-N -1 0 322.365 -0.721 20 0 DBADRM CC1CCN(C(=O)CN2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])CC1 ZINC000333647565 393360708 /nfs/dbraw/zinc/36/07/08/393360708.db2.gz YKEVCUDVJQYUOC-SNVBAGLBSA-N -1 0 323.353 -0.489 20 0 DBADRM COCC(=O)N[C@@H](C(=O)N(C)C[C@H](C)c1nnn[n-]1)C(C)C ZINC000352473184 393377755 /nfs/dbraw/zinc/37/77/55/393377755.db2.gz QMQUZJJIXSVGGK-GXSJLCMTSA-N -1 0 312.374 -0.451 20 0 DBADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](CO)C(N)=O)n1 ZINC000352989834 393420285 /nfs/dbraw/zinc/42/02/85/393420285.db2.gz NHIQLTXFAPGZSZ-VIFPVBQESA-N -1 0 322.296 -0.399 20 0 DBADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](CO)C(N)=O)n1 ZINC000352989831 393420963 /nfs/dbraw/zinc/42/09/63/393420963.db2.gz NHIQLTXFAPGZSZ-SECBINFHSA-N -1 0 322.296 -0.399 20 0 DBADRM COC(=O)[C@@H](CO)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000354345703 393431859 /nfs/dbraw/zinc/43/18/59/393431859.db2.gz OSOPPHBVJYSBAD-SNVBAGLBSA-N -1 0 323.280 -0.019 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000354345701 393432069 /nfs/dbraw/zinc/43/20/69/393432069.db2.gz OSOPPHBVJYSBAD-JTQLQIEISA-N -1 0 323.280 -0.019 20 0 DBADRM O=C([O-])[C@@H]1COCCN1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000648425763 393469580 /nfs/dbraw/zinc/46/95/80/393469580.db2.gz ORDXYARKBKBUIQ-AVGNSLFASA-N -1 0 312.366 -0.058 20 0 DBADRM CN1C(=O)C[C@H](NS(=O)(=O)CCOCC2CCC2)C1=O ZINC000645695462 393493833 /nfs/dbraw/zinc/49/38/33/393493833.db2.gz FJDMZTLRYZIAIT-JTQLQIEISA-N -1 0 304.368 -0.520 20 0 DBADRM CC(C)(C)[C@H]1CCN(C(=O)C(=O)NCCC(=O)[O-])C[C@@H]1O ZINC000420586352 393592914 /nfs/dbraw/zinc/59/29/14/393592914.db2.gz CSJSBOQEVIATAQ-UWVGGRQHSA-N -1 0 300.355 -0.167 20 0 DBADRM CO[C@@H](CNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)CC(C)C ZINC000419537780 393587437 /nfs/dbraw/zinc/58/74/37/393587437.db2.gz NWEOQQSTRNIUEC-MNOVXSKESA-N -1 0 312.370 -0.007 20 0 DBADRM COCc1nc(=NCCNS(=O)(=O)NC(C)C)s[n-]1 ZINC000428660868 393680267 /nfs/dbraw/zinc/68/02/67/393680267.db2.gz PBKWNUHAJGAJPG-UHFFFAOYSA-N -1 0 309.417 -0.649 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424228946 393634968 /nfs/dbraw/zinc/63/49/68/393634968.db2.gz JDXCPXUUAJZFQE-UHFFFAOYSA-N -1 0 315.370 -0.364 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)c1c[nH]c(C2CC2)n1 ZINC000424226427 393635050 /nfs/dbraw/zinc/63/50/50/393635050.db2.gz DQCLOUXQTYAKRV-MRVPVSSYSA-N -1 0 318.293 -0.307 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424365401 393636891 /nfs/dbraw/zinc/63/68/91/393636891.db2.gz GVKIOTRAUODDIJ-BBBLOLIVSA-N -1 0 306.384 -0.022 20 0 DBADRM CC[C@@H](C)CS(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424394848 393638216 /nfs/dbraw/zinc/63/82/16/393638216.db2.gz UJUPMKSQCMLWRF-SFYZADRCSA-N -1 0 318.355 -0.372 20 0 DBADRM CC(C)(CCNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000424392315 393638406 /nfs/dbraw/zinc/63/84/06/393638406.db2.gz PCFMMUVWJPQILW-UHFFFAOYSA-N -1 0 315.413 -0.159 20 0 DBADRM COc1ccnc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC000424468934 393640453 /nfs/dbraw/zinc/64/04/53/393640453.db2.gz AMIGUKOYOSWABE-QMMMGPOBSA-N -1 0 308.294 -0.966 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H](O)C[C@H]1C)C(=O)[O-] ZINC000424486623 393643921 /nfs/dbraw/zinc/64/39/21/393643921.db2.gz FYZNKVRMNHLYMN-MXWKQRLJSA-N -1 0 300.355 -0.169 20 0 DBADRM CN(Cc1ccnn1C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424480086 393644244 /nfs/dbraw/zinc/64/42/44/393644244.db2.gz FXGOJRZUMBMYLW-UHFFFAOYSA-N -1 0 310.354 -0.004 20 0 DBADRM Cc1noc(C2CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C2)n1 ZINC000424484242 393644381 /nfs/dbraw/zinc/64/43/81/393644381.db2.gz SWWGKWZVKLCVMW-UHFFFAOYSA-N -1 0 324.337 -0.079 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424517824 393645175 /nfs/dbraw/zinc/64/51/75/393645175.db2.gz MAYDMQDUHDFYDH-SECBINFHSA-N -1 0 311.342 -0.600 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NC[C@@]1(C)CCC(=O)N1)C(=O)[O-] ZINC000424488451 393645200 /nfs/dbraw/zinc/64/52/00/393645200.db2.gz MMULVIXIYGWDGM-CQSZACIVSA-N -1 0 313.354 -0.612 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NC[C@@H]1COCCO1)C(=O)[O-] ZINC000424521189 393646102 /nfs/dbraw/zinc/64/61/02/393646102.db2.gz QOZPYAPUVOKOMQ-SECBINFHSA-N -1 0 302.327 -0.865 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1COCCO1)C(=O)[O-] ZINC000424525004 393646589 /nfs/dbraw/zinc/64/65/89/393646589.db2.gz VUKVLJJAXNHRPV-GHMZBOCLSA-N -1 0 316.354 -0.619 20 0 DBADRM Cn1cc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)cn1 ZINC000165950428 393735158 /nfs/dbraw/zinc/73/51/58/393735158.db2.gz XHRXYRDTQWKARY-UHFFFAOYSA-N -1 0 303.340 -0.420 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC000645974396 393737913 /nfs/dbraw/zinc/73/79/13/393737913.db2.gz ZFYYIXPDZIGQTB-LLVKDONJSA-N -1 0 322.383 -0.625 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000646007216 393739891 /nfs/dbraw/zinc/73/98/91/393739891.db2.gz MFZFCOWWYCKTJM-SECBINFHSA-N -1 0 301.386 -0.406 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000646003051 393740221 /nfs/dbraw/zinc/74/02/21/393740221.db2.gz OPCIUPBFSNWKEA-QMMMGPOBSA-N -1 0 300.340 -0.310 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N(C)C(C)(C)C(=O)[O-] ZINC000646009426 393740277 /nfs/dbraw/zinc/74/02/77/393740277.db2.gz JGEHWSDLIVWORQ-UHFFFAOYSA-N -1 0 312.388 -0.379 20 0 DBADRM O=C([O-])CC1(NS(=O)(=O)N2CCOCC2)CCOCC1 ZINC000646017822 393741027 /nfs/dbraw/zinc/74/10/27/393741027.db2.gz KMEQAEWKAVOEPH-UHFFFAOYSA-N -1 0 308.356 -0.823 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)CC[C@@H]1CCOC1 ZINC000646042286 393742639 /nfs/dbraw/zinc/74/26/39/393742639.db2.gz ARADRIQNVSCQEF-WDEREUQCSA-N -1 0 307.368 -0.082 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC1(C(=O)[O-])CCOCC1)C1CC1 ZINC000646045731 393746669 /nfs/dbraw/zinc/74/66/69/393746669.db2.gz HQJVYJWDHXYDIE-JTQLQIEISA-N -1 0 307.368 -0.035 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000646145382 393754874 /nfs/dbraw/zinc/75/48/74/393754874.db2.gz LAAHWGKULPHEDL-VHSXEESVSA-N -1 0 321.399 -0.133 20 0 DBADRM C[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC(=O)N1C ZINC000646168223 393755477 /nfs/dbraw/zinc/75/54/77/393755477.db2.gz WBDPNNNEJKNTHH-SNVBAGLBSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646168775 393755515 /nfs/dbraw/zinc/75/55/15/393755515.db2.gz QYTMRFSXAKVKGJ-YGRLFVJLSA-N -1 0 316.354 -0.293 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)C[C@@H]1C(=O)[O-] ZINC000646154723 393755551 /nfs/dbraw/zinc/75/55/51/393755551.db2.gz CCDWUFBZIZMAQV-ZJUUUORDSA-N -1 0 323.353 -0.108 20 0 DBADRM CCN1CC[C@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1=O ZINC000646157737 393755604 /nfs/dbraw/zinc/75/56/04/393755604.db2.gz DMCAMLRFPTYEJO-JTQLQIEISA-N -1 0 313.354 -0.212 20 0 DBADRM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000443519638 393718388 /nfs/dbraw/zinc/71/83/88/393718388.db2.gz PGCXJVDVUFRASM-LLVKDONJSA-N -1 0 318.337 -0.024 20 0 DBADRM O=C(CNC(=O)NCc1ccc(F)cc1)NCc1n[nH]c(=O)[n-]1 ZINC000443510610 393718456 /nfs/dbraw/zinc/71/84/56/393718456.db2.gz NKAZWPHBOHHKKH-UHFFFAOYSA-N -1 0 322.300 -0.235 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)OC(C)(C)C ZINC000491418930 393813753 /nfs/dbraw/zinc/81/37/53/393813753.db2.gz PPUNZJCTSBGAGG-MRVPVSSYSA-N -1 0 310.372 -0.008 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)OC)C1 ZINC000491488493 393815716 /nfs/dbraw/zinc/81/57/16/393815716.db2.gz MYUQIHCITQSOMU-NXEZZACHSA-N -1 0 322.383 -0.054 20 0 DBADRM COC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C1 ZINC000491539151 393817827 /nfs/dbraw/zinc/81/78/27/393817827.db2.gz DALHNVNGBDTRJE-UWVGGRQHSA-N -1 0 320.367 -0.300 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000370142005 292033173 /nfs/dbraw/zinc/03/31/73/292033173.db2.gz KAXGHIYZELWTOI-NSHDSACASA-N -1 0 319.291 -0.412 20 0 DBADRM COCC1(S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])CC1 ZINC000263510917 292256126 /nfs/dbraw/zinc/25/61/26/292256126.db2.gz XSOMQYSXZWBPDK-SECBINFHSA-N -1 0 322.383 -0.594 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000262454754 292489262 /nfs/dbraw/zinc/48/92/62/292489262.db2.gz RKHXUIDHUYSUPB-JTQLQIEISA-N -1 0 312.388 -0.522 20 0 DBADRM CC[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H](C)[S@@]1=O ZINC000287871105 287177794 /nfs/dbraw/zinc/17/77/94/287177794.db2.gz MPLJRHSWXUZXKF-VRNWYBPDSA-N -1 0 313.379 -0.143 20 0 DBADRM CNS(=O)(=O)NC1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC000651951568 411628513 /nfs/dbraw/zinc/62/85/13/411628513.db2.gz YPUVTPMQGAYZTD-UHFFFAOYSA-N -1 0 317.371 -0.918 20 0 DBADRM C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C[C@H]1O ZINC000388001227 411634206 /nfs/dbraw/zinc/63/42/06/411634206.db2.gz GAVVPURXGHJUCN-WRWORJQWSA-N -1 0 300.336 -0.151 20 0 DBADRM CS(=O)(=O)NCCNC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659122605 411709638 /nfs/dbraw/zinc/70/96/38/411709638.db2.gz XLWJUFCYYCCBJV-UHFFFAOYSA-N -1 0 304.368 -0.313 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)CC1(n2cnnn2)CCOCC1 ZINC000659124834 411711111 /nfs/dbraw/zinc/71/11/11/411711111.db2.gz CVJBNBAFOKMUJO-UHFFFAOYSA-N -1 0 311.342 -0.108 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000653295677 411712691 /nfs/dbraw/zinc/71/26/91/411712691.db2.gz TXOJAYBXOBYTLV-GFCCVEGCSA-N -1 0 304.368 -0.147 20 0 DBADRM CN(CCC(N)=O)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000662915121 411657656 /nfs/dbraw/zinc/65/76/56/411657656.db2.gz KGTURVWLVSHGJV-UHFFFAOYSA-N -1 0 313.354 -0.576 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000650417151 411663727 /nfs/dbraw/zinc/66/37/27/411663727.db2.gz RQIZFIJSFLSKSO-BKDNQFJXSA-N -1 0 315.351 -0.272 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000663101896 411669995 /nfs/dbraw/zinc/66/99/95/411669995.db2.gz RIWWIRFOYYTUSH-RKDXNWHRSA-N -1 0 306.384 -0.117 20 0 DBADRM CC(C)(CNC(=O)C1(C(=O)[O-])CC=CC1)NS(C)(=O)=O ZINC000663094528 411670397 /nfs/dbraw/zinc/67/03/97/411670397.db2.gz OGPIXLANPSWTLG-UHFFFAOYSA-N -1 0 304.368 -0.149 20 0 DBADRM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)[C@H]1CCCS1(=O)=O ZINC000655391282 411677082 /nfs/dbraw/zinc/67/70/82/411677082.db2.gz JWPNLGLJPIQOIG-GHMZBOCLSA-N -1 0 321.362 -0.018 20 0 DBADRM Cc1nccc(CNS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000038037635 411680533 /nfs/dbraw/zinc/68/05/33/411680533.db2.gz OTWQNVKPRZSIJF-SNVBAGLBSA-N -1 0 314.367 -0.084 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])CC1 ZINC000037828084 411681011 /nfs/dbraw/zinc/68/10/11/411681011.db2.gz SJSNHHCOYYZTGK-GHMZBOCLSA-N -1 0 316.379 -0.243 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCO[C@H](CF)C1)C1CCC1 ZINC000663639970 411682934 /nfs/dbraw/zinc/68/29/34/411682934.db2.gz ZQBIVBWFMKASSQ-GHMZBOCLSA-N -1 0 316.329 -0.200 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(c2ccnc(C(=O)[O-])c2)CC1 ZINC000650764909 411687041 /nfs/dbraw/zinc/68/70/41/411687041.db2.gz SBZXSXCHWYYPTI-UHFFFAOYSA-N -1 0 320.349 -0.047 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC000659060674 411688683 /nfs/dbraw/zinc/68/86/83/411688683.db2.gz AYYRSQBRGKLACY-SNVBAGLBSA-N -1 0 323.305 -0.533 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)COCc2ccnn2C)[n-]n1 ZINC000650818419 411690064 /nfs/dbraw/zinc/69/00/64/411690064.db2.gz KNNRWCGUPCZINV-UHFFFAOYSA-N -1 0 304.310 -0.853 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@]2(C)CCN(C(C)=O)C2)[n-]n1 ZINC000650817132 411690214 /nfs/dbraw/zinc/69/02/14/411690214.db2.gz UCOIYYJZTRPMEL-CQSZACIVSA-N -1 0 305.338 -0.545 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)COc2c(C)nn(C)c2C)[n-]n1 ZINC000650817979 411690866 /nfs/dbraw/zinc/69/08/66/411690866.db2.gz SXHKCPFAOBZYGS-UHFFFAOYSA-N -1 0 318.337 -0.374 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@H]2CCCCS2(=O)=O)[n-]n1 ZINC000650817410 411691245 /nfs/dbraw/zinc/69/12/45/411691245.db2.gz BOVKMHLNEGKTRB-VIFPVBQESA-N -1 0 312.351 -0.836 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@H](C)OC[C@@H]2CCCO2)[n-]n1 ZINC000650816534 411692505 /nfs/dbraw/zinc/69/25/05/411692505.db2.gz ZERLUWBPVYGTAW-UWVGGRQHSA-N -1 0 308.338 -0.219 20 0 DBADRM CC(C)C[C@@H](NC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)[O-] ZINC000653278246 411701432 /nfs/dbraw/zinc/70/14/32/411701432.db2.gz KMORGUKIQXDTLN-SNVBAGLBSA-N -1 0 310.354 -0.003 20 0 DBADRM CCn1ccc(CC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])n1 ZINC000653278195 411701802 /nfs/dbraw/zinc/70/18/02/411701802.db2.gz GUVCLQSAWUTHCS-SNVBAGLBSA-N -1 0 310.354 -0.117 20 0 DBADRM C[C@@H](c1cccnc1)N1C(=O)C[C@@H](NCc2nnn[n-]2)C1=O ZINC000653285216 411702881 /nfs/dbraw/zinc/70/28/81/411702881.db2.gz HXKQKIQGCJPWDP-WCBMZHEXSA-N -1 0 301.310 -0.427 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1 ZINC000653281743 411703006 /nfs/dbraw/zinc/70/30/06/411703006.db2.gz YBHBFBHDZLNESZ-CYBMUJFWSA-N -1 0 316.379 -0.099 20 0 DBADRM O=C1C[C@H](NCc2nnn[n-]2)C(=O)N1c1ccc(F)cc1F ZINC000653285041 411703273 /nfs/dbraw/zinc/70/32/73/411703273.db2.gz AZEXEIWMNGCNBV-QMMMGPOBSA-N -1 0 308.248 -0.100 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000653318264 411738689 /nfs/dbraw/zinc/73/86/89/411738689.db2.gz CJHMCIPCMADDQZ-VXNVDRBHSA-N -1 0 315.351 -0.250 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)NC1(CC(=O)[O-])CCC1 ZINC000653321697 411742980 /nfs/dbraw/zinc/74/29/80/411742980.db2.gz ZJTLCLQPEHSEOX-UHFFFAOYSA-N -1 0 317.305 -0.045 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NC2(CC(=O)[O-])CCC2)ccn1 ZINC000653321623 411743088 /nfs/dbraw/zinc/74/30/88/411743088.db2.gz WMCTVDRXDZUFAM-UHFFFAOYSA-N -1 0 313.335 -0.144 20 0 DBADRM CCN1CCN(CC(=O)NC2(CC(=O)[O-])CCC2)C(=O)C1=O ZINC000653322378 411745738 /nfs/dbraw/zinc/74/57/38/411745738.db2.gz RWKZIPPONDECGP-UHFFFAOYSA-N -1 0 311.338 -0.809 20 0 DBADRM CNS(=O)(=O)CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000653322949 411748170 /nfs/dbraw/zinc/74/81/70/411748170.db2.gz IHDAOQCYBPHHGY-CYBMUJFWSA-N -1 0 314.363 -0.306 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Nc2nncs2)[C@@H](C(=O)[O-])C1 ZINC000565870477 411748902 /nfs/dbraw/zinc/74/89/02/411748902.db2.gz NRUXGZQWAYSLGR-NKWVEPMBSA-N -1 0 314.323 0.408 20 0 DBADRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652069253 411753397 /nfs/dbraw/zinc/75/33/97/411753397.db2.gz DOGZKSRCQOXYKM-CRCLSJGQSA-N -1 0 304.246 -0.800 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)Cc2ccccc21 ZINC000652065066 411753500 /nfs/dbraw/zinc/75/35/00/411753500.db2.gz LIPBYDZUJVPYNX-VXGBXAGGSA-N -1 0 324.358 -0.111 20 0 DBADRM O=C([O-])C1(NC(=O)[C@H]2CCS(=O)(=O)N2)CCCCCC1 ZINC000652067491 411753531 /nfs/dbraw/zinc/75/35/31/411753531.db2.gz ZXAVNIBLQLUEDI-SECBINFHSA-N -1 0 304.368 -0.028 20 0 DBADRM O=C([O-])CN(C(=O)[C@H]1CCS(=O)(=O)N1)C1CCCCC1 ZINC000652057070 411753865 /nfs/dbraw/zinc/75/38/65/411753865.db2.gz SGLVKRZOJGMCTJ-SNVBAGLBSA-N -1 0 304.368 -0.076 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652051808 411753895 /nfs/dbraw/zinc/75/38/95/411753895.db2.gz QXEMRGVRGJEFRI-VLEAKVRGSA-N -1 0 316.379 -0.078 20 0 DBADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652056631 411754104 /nfs/dbraw/zinc/75/41/04/411754104.db2.gz CEDWFOMNQZRFIH-VXGBXAGGSA-N -1 0 324.358 -0.111 20 0 DBADRM CC[C@@H](CNC(=O)CC1(n2cnnn2)CCOCC1)C(=O)[O-] ZINC000659163686 411754906 /nfs/dbraw/zinc/75/49/06/411754906.db2.gz JWEWUVFDIHOSLD-JTQLQIEISA-N -1 0 311.342 -0.204 20 0 DBADRM COC1(C[C@@H](NC(=O)CN(C)S(C)(=O)=O)C(=O)[O-])CCC1 ZINC000652105506 411756547 /nfs/dbraw/zinc/75/65/47/411756547.db2.gz OZIUXYCSZNDSLA-SECBINFHSA-N -1 0 322.383 -0.594 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1=O ZINC000652126693 411758993 /nfs/dbraw/zinc/75/89/93/411758993.db2.gz SBCHPOIEGXYQIP-VHSXEESVSA-N -1 0 307.306 -0.331 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)[n-]1 ZINC000651585135 411761056 /nfs/dbraw/zinc/76/10/56/411761056.db2.gz ISZUREQQKHFTTI-MNOVXSKESA-N -1 0 309.370 -0.113 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N(C)C[C@@H]2CCC[C@@H]2O)[n-]1 ZINC000651637637 411766255 /nfs/dbraw/zinc/76/62/55/411766255.db2.gz XRCYAUKZRRXGDA-QWRGUYRKSA-N -1 0 309.370 -0.161 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)NCCOC(F)(F)F)[n-]1 ZINC000651746301 411771848 /nfs/dbraw/zinc/77/18/48/411771848.db2.gz MHSNPQQIDNXDNK-UHFFFAOYSA-N -1 0 309.248 -0.128 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN3CCC2CC3)[n-]1 ZINC000651744533 411772628 /nfs/dbraw/zinc/77/26/28/411772628.db2.gz GAEFMWZKAHWDKB-UHFFFAOYSA-N -1 0 306.370 -0.474 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)C1(n2cnnn2)CCCCC1 ZINC000651926559 411785557 /nfs/dbraw/zinc/78/55/57/411785557.db2.gz ZYUHRGDLOLQPLF-UHFFFAOYSA-N -1 0 307.314 -0.632 20 0 DBADRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)[C@@H]1CCS(=O)(=O)N1 ZINC000652011828 411722756 /nfs/dbraw/zinc/72/27/56/411722756.db2.gz UZVJHRYZGZVGQV-VIFPVBQESA-N -1 0 323.334 -0.193 20 0 DBADRM O=C(Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCS(=O)(=O)N1 ZINC000651225971 411725225 /nfs/dbraw/zinc/72/52/25/411725225.db2.gz KBYQJRBCTMWNCT-VIFPVBQESA-N -1 0 308.323 -0.503 20 0 DBADRM C[C@H](CCC(=O)[O-])NC(=O)CC1(n2cnnn2)CCOCC1 ZINC000659141405 411725753 /nfs/dbraw/zinc/72/57/53/411725753.db2.gz HSETUOYTBDSSKK-SNVBAGLBSA-N -1 0 311.342 -0.062 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCCCc2cc(=O)[nH][nH]2)cc1 ZINC000647717918 411794593 /nfs/dbraw/zinc/79/45/93/411794593.db2.gz WACWAAOOKBTIQE-UHFFFAOYSA-N -1 0 324.362 -0.280 20 0 DBADRM C[C@@H]1CN(c2ncc(S(N)(=O)=O)s2)C[C@H](C(=O)[O-])O1 ZINC000652536721 411805410 /nfs/dbraw/zinc/80/54/10/411805410.db2.gz IXYIUPTXLZDOHG-PHDIDXHHSA-N -1 0 307.353 -0.531 20 0 DBADRM C[C@@H]1CN(c2ncccc2S(N)(=O)=O)C[C@H](C(=O)[O-])O1 ZINC000652537089 411805514 /nfs/dbraw/zinc/80/55/14/411805514.db2.gz YUEFEFOJHRUWFD-HTQZYQBOSA-N -1 0 301.324 -0.593 20 0 DBADRM Cn1nccc1[C@H]1COCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000652653636 411810093 /nfs/dbraw/zinc/81/00/93/411810093.db2.gz PSFBKZWQDWXDRF-LLVKDONJSA-N -1 0 324.337 -0.699 20 0 DBADRM O=C(CN1CC(=O)NC1=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653331774 411810522 /nfs/dbraw/zinc/81/05/22/411810522.db2.gz WDKCOGKBPJWSAC-WDEREUQCSA-N -1 0 317.301 -0.032 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCc2nccn2C1)[C@H](C)C(=O)[O-] ZINC000655540203 411816872 /nfs/dbraw/zinc/81/68/72/411816872.db2.gz XEWHUIYSIHIXGH-PWSUYJOCSA-N -1 0 322.365 -0.117 20 0 DBADRM COc1ccc(C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])o1 ZINC000655546716 411819297 /nfs/dbraw/zinc/81/92/97/411819297.db2.gz KQNJLXJFFFEODN-LURJTMIESA-N -1 0 308.250 -0.306 20 0 DBADRM CN1CCC[C@@H](NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1=O ZINC000659396563 411821311 /nfs/dbraw/zinc/82/13/11/411821311.db2.gz DARRXWNJQGSUQK-GPCCPHFNSA-N -1 0 311.338 -0.650 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCCCCC(=O)[O-] ZINC000659407281 411822811 /nfs/dbraw/zinc/82/28/11/411822811.db2.gz ZRTDRUASJKXGHR-VHSXEESVSA-N -1 0 322.383 -0.257 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H](C(=O)[O-])C1 ZINC000659221313 411824983 /nfs/dbraw/zinc/82/49/83/411824983.db2.gz LHKHQWMYCFCJGJ-UTLUCORTSA-N -1 0 320.367 -0.889 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)nn1 ZINC000659231281 411828314 /nfs/dbraw/zinc/82/83/14/411828314.db2.gz MXMSSWHPZKKHIB-DTORHVGOSA-N -1 0 309.326 -0.699 20 0 DBADRM CC(C)(C)n1nnc(CNC(=O)c2cnc(C(=O)[O-])cn2)n1 ZINC000655557454 411832993 /nfs/dbraw/zinc/83/29/93/411832993.db2.gz AZPVWFPAMVADST-UHFFFAOYSA-N -1 0 305.298 -0.154 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000655557773 411833034 /nfs/dbraw/zinc/83/30/34/411833034.db2.gz JZWHYEMOAMFOFR-MNOVXSKESA-N -1 0 307.354 -0.035 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000655556847 411833217 /nfs/dbraw/zinc/83/32/17/411833217.db2.gz OLMUDOQYWJJWPO-UHFFFAOYSA-N -1 0 323.353 -0.162 20 0 DBADRM CC(C)[C@@H](CNC(=O)c1ccnc2c(C(N)=O)cnn21)C(=O)[O-] ZINC000655563705 411834516 /nfs/dbraw/zinc/83/45/16/411834516.db2.gz BCIVLKDOWQHYQT-MRVPVSSYSA-N -1 0 319.321 -0.085 20 0 DBADRM C[C@@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000655561479 411834594 /nfs/dbraw/zinc/83/45/94/411834594.db2.gz MUNBCIUELGNUON-ZETCQYMHSA-N -1 0 320.305 -0.917 20 0 DBADRM CC(C)[C@@H](CNC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000655563719 411834839 /nfs/dbraw/zinc/83/48/39/411834839.db2.gz BCMMIPCLYPOKLE-SECBINFHSA-N -1 0 315.351 -0.184 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655573778 411836043 /nfs/dbraw/zinc/83/60/43/411836043.db2.gz AGNHFHZDEQNIFQ-AXTSPUMRSA-N -1 0 318.395 -0.070 20 0 DBADRM O=C([O-])CN(C(=O)CCN1CCCS1(=O)=O)C1CCC1 ZINC000655592288 411836827 /nfs/dbraw/zinc/83/68/27/411836827.db2.gz GZBHQHZJCZXEQG-UHFFFAOYSA-N -1 0 304.368 -0.122 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)[C@@H](O)C1CCOCC1 ZINC000655598366 411837127 /nfs/dbraw/zinc/83/71/27/411837127.db2.gz IKADYCHIZQDGEE-STQMWFEESA-N -1 0 308.334 -0.019 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N(CC(=O)[O-])C1CCC1 ZINC000653495796 411867747 /nfs/dbraw/zinc/86/77/47/411867747.db2.gz ZYJBMFOKGZZHRC-UHFFFAOYSA-N -1 0 313.397 -0.310 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2COC[C@@H]2C1)C(=O)[O-] ZINC000659661104 411858951 /nfs/dbraw/zinc/85/89/51/411858951.db2.gz GWCACELIUQCYIY-WOPDTQHZSA-N -1 0 312.366 -0.046 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000659658817 411859043 /nfs/dbraw/zinc/85/90/43/411859043.db2.gz NKGATEONEWHBAS-ZETCQYMHSA-N -1 0 312.244 -0.243 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCc1c(C2CC2)cnn1C ZINC000659662712 411859536 /nfs/dbraw/zinc/85/95/36/411859536.db2.gz BJSJTGDUZMPFLX-UHFFFAOYSA-N -1 0 308.338 -0.153 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CCC(=O)[O-])CS1(=O)=O ZINC000659666318 411859588 /nfs/dbraw/zinc/85/95/88/411859588.db2.gz XGUYSYKCKQJVMD-RKDXNWHRSA-N -1 0 320.367 -0.999 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CCO)C(=O)[O-] ZINC000659663010 411859608 /nfs/dbraw/zinc/85/96/08/411859608.db2.gz WEVKBFUAQGSSQE-MXWKQRLJSA-N -1 0 300.355 -0.167 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@H]3COC[C@@H]3C2)CCC1 ZINC000659672061 411860017 /nfs/dbraw/zinc/86/00/17/411860017.db2.gz PAXILZAFLBUSCE-QWRGUYRKSA-N -1 0 310.350 -0.148 20 0 DBADRM CO[C@H](C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC000659761318 411886997 /nfs/dbraw/zinc/88/69/97/411886997.db2.gz FRRMCFORZBFZGJ-JLLWLGSASA-N -1 0 316.354 -0.524 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000659773182 411887907 /nfs/dbraw/zinc/88/79/07/411887907.db2.gz OYUPHATWADVJDE-WDEREUQCSA-N -1 0 313.331 -0.073 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000659773998 411887970 /nfs/dbraw/zinc/88/79/70/411887970.db2.gz VTHYSGBDCMSFDV-QWRGUYRKSA-N -1 0 313.331 -0.073 20 0 DBADRM Cc1n[n-]c(=NC(=O)N2CC[C@@H](n3cc(CO)nn3)C2)s1 ZINC000649945271 411924235 /nfs/dbraw/zinc/92/42/35/411924235.db2.gz ZFYYFRCFBUCENK-SECBINFHSA-N -1 0 309.355 -0.169 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1COCCO1 ZINC000055312185 411872349 /nfs/dbraw/zinc/87/23/49/411872349.db2.gz UDGFQFRNEPMDJO-MRVPVSSYSA-N -1 0 305.308 -0.020 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400317663 411884353 /nfs/dbraw/zinc/88/43/53/411884353.db2.gz WUNXALLBUVQLJJ-CABZTGNLSA-N -1 0 319.383 -0.331 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2[O-])C1 ZINC000656951083 412019453 /nfs/dbraw/zinc/01/94/53/412019453.db2.gz QNIMVNCHPRIYSJ-VIFPVBQESA-N -1 0 320.392 -0.166 20 0 DBADRM CC[C@H](NC(=O)NC[C@@H](C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000655871015 411974658 /nfs/dbraw/zinc/97/46/58/411974658.db2.gz ARESFDXITNHKEO-ZJUUUORDSA-N -1 0 301.343 -0.356 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655864559 411975111 /nfs/dbraw/zinc/97/51/11/411975111.db2.gz AQYHETZZUXOEJH-SNVBAGLBSA-N -1 0 323.415 -0.030 20 0 DBADRM CCN(CCCNC(=O)NC[C@@H](C)C(=O)[O-])S(C)(=O)=O ZINC000655862489 411975234 /nfs/dbraw/zinc/97/52/34/411975234.db2.gz FZCSCSQETFASDZ-SECBINFHSA-N -1 0 309.388 -0.322 20 0 DBADRM C[C@H](CNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000655869422 411975389 /nfs/dbraw/zinc/97/53/89/411975389.db2.gz DORANKGELWTVAY-SCZZXKLOSA-N -1 0 309.326 -0.455 20 0 DBADRM CC(C)(C)n1nnc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC000655881632 411975682 /nfs/dbraw/zinc/97/56/82/411975682.db2.gz CIWBDMFZCFQKGJ-MRVPVSSYSA-N -1 0 312.330 -0.577 20 0 DBADRM CC(C)[C@H](CNC(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000655892286 411975839 /nfs/dbraw/zinc/97/58/39/411975839.db2.gz SXKSCKVSCUOZKT-NSHDSACASA-N -1 0 315.370 -0.157 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCCCn1cc(CO)nn1)C(=O)[O-] ZINC000655896397 411975894 /nfs/dbraw/zinc/97/58/94/411975894.db2.gz LUGXOHGMPKATBL-LLVKDONJSA-N -1 0 313.358 -0.184 20 0 DBADRM C[C@@H](CNC(=O)N1CCN(c2nccn(C)c2=O)CC1)C(=O)[O-] ZINC000655884710 411975900 /nfs/dbraw/zinc/97/59/00/411975900.db2.gz JRDKFOJVUPKDOH-JTQLQIEISA-N -1 0 323.353 -0.667 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000655886666 411976114 /nfs/dbraw/zinc/97/61/14/411976114.db2.gz DMMKVTXZEIRNMC-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM CC(C)[C@@H](CNC(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000655892285 411976556 /nfs/dbraw/zinc/97/65/56/411976556.db2.gz SXKSCKVSCUOZKT-LLVKDONJSA-N -1 0 315.370 -0.157 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)C(=O)[O-])[C@H](C)C1 ZINC000655881492 411976725 /nfs/dbraw/zinc/97/67/25/411976725.db2.gz NJUURFGTQFATDA-NXEZZACHSA-N -1 0 321.399 -0.228 20 0 DBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000655884577 411976772 /nfs/dbraw/zinc/97/67/72/411976772.db2.gz NFRDHQBAWVRAOC-SDDRHHMPSA-N -1 0 318.370 -0.238 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CCC[C@H]1CS(N)(=O)=O)C(=O)[O-] ZINC000655898379 411978216 /nfs/dbraw/zinc/97/82/16/411978216.db2.gz VGQGFTGDDGGBPS-VHSXEESVSA-N -1 0 321.399 -0.194 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C(N)=O)n1)C(=O)[O-] ZINC000655948400 411979813 /nfs/dbraw/zinc/97/98/13/411979813.db2.gz WWGWCEKVVIHGMQ-MRVPVSSYSA-N -1 0 322.321 -0.408 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCCn1ccnc1)C(=O)[O-] ZINC000655974624 411981452 /nfs/dbraw/zinc/98/14/52/411981452.db2.gz DDXVQFFTRRZYPD-LLVKDONJSA-N -1 0 310.354 -0.138 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCOC[C@H]1CCCO1)C(=O)[O-] ZINC000655983836 411981824 /nfs/dbraw/zinc/98/18/24/411981824.db2.gz PAPDRUCBBVDBKX-VHSXEESVSA-N -1 0 302.327 -0.865 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCc2c1cnn2C)C(=O)[O-] ZINC000655982562 411981939 /nfs/dbraw/zinc/98/19/39/411981939.db2.gz WUGCAKTVYHYFLI-WCBMZHEXSA-N -1 0 308.338 -0.249 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)Cn1ccnc1)C(=O)[O-] ZINC000655980424 411982279 /nfs/dbraw/zinc/98/22/79/411982279.db2.gz FDNOOXAIMGSRLY-MNOVXSKESA-N -1 0 310.354 -0.139 20 0 DBADRM Cc1cc(C)n(CCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])n1 ZINC000655977972 411982399 /nfs/dbraw/zinc/98/23/99/411982399.db2.gz MISRAXGEVJPUBA-SECBINFHSA-N -1 0 310.354 -0.157 20 0 DBADRM Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C2 ZINC000655977901 411982454 /nfs/dbraw/zinc/98/24/54/411982454.db2.gz LKSRFJSTVWQQMI-LDYMZIIASA-N -1 0 320.349 -0.405 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1C ZINC000655983332 411982504 /nfs/dbraw/zinc/98/25/04/411982504.db2.gz BKJUZCOCABWXLK-MRVPVSSYSA-N -1 0 310.354 -0.027 20 0 DBADRM C[C@H](CNC(=O)C(=O)NC[C@@H]1COc2ccccc2O1)C(=O)[O-] ZINC000655977220 411982556 /nfs/dbraw/zinc/98/25/56/411982556.db2.gz FUPKKNSZMYZJII-NXEZZACHSA-N -1 0 322.317 -0.221 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCn2ccnc2C1)C(=O)[O-] ZINC000655992607 411983172 /nfs/dbraw/zinc/98/31/72/411983172.db2.gz CFILNCMVENIQIF-GHMZBOCLSA-N -1 0 322.365 -0.213 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@@H](Nc2ncccn2)C1)C(=O)[O-] ZINC000656000160 411983201 /nfs/dbraw/zinc/98/32/01/411983201.db2.gz RONQHGREWCDVDH-VHSXEESVSA-N -1 0 321.337 -0.674 20 0 DBADRM C[C@H](COCC(F)(F)F)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655984619 411983230 /nfs/dbraw/zinc/98/32/30/411983230.db2.gz XPGANGKKMMMLKQ-RNFRBKRXSA-N -1 0 314.260 -0.093 20 0 DBADRM CO[C@@H](CCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C(F)(F)F ZINC000655992762 411983291 /nfs/dbraw/zinc/98/32/91/411983291.db2.gz GKFRQMKKYRBXIM-RQJHMYQMSA-N -1 0 314.260 -0.093 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000655989227 411983405 /nfs/dbraw/zinc/98/34/05/411983405.db2.gz WOZGUTSGJWCPSC-RKDXNWHRSA-N -1 0 322.383 -0.991 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCC(=O)NC(C)(C)C)C(=O)[O-] ZINC000655985223 411983656 /nfs/dbraw/zinc/98/36/56/411983656.db2.gz VRVLUGBKDJERFT-MRVPVSSYSA-N -1 0 301.343 -0.756 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)OC ZINC000655994452 411983784 /nfs/dbraw/zinc/98/37/84/411983784.db2.gz RSPBEZCMXSWOOE-NXEZZACHSA-N -1 0 304.343 -0.763 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655992763 411983806 /nfs/dbraw/zinc/98/38/06/411983806.db2.gz GMEGTIXLUSYHQM-SECBINFHSA-N -1 0 301.343 -0.946 20 0 DBADRM COC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])[C@@H]1CCCO1 ZINC000655994092 411983809 /nfs/dbraw/zinc/98/38/09/411983809.db2.gz RODKNOQAFWWFFU-UTLUCORTSA-N -1 0 302.327 -0.867 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655990538 411983856 /nfs/dbraw/zinc/98/38/56/411983856.db2.gz FHSBQNGYXYFDGT-BBBLOLIVSA-N -1 0 302.327 -0.867 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1cccc(N(C)C)n1)C(=O)[O-] ZINC000655991430 411983860 /nfs/dbraw/zinc/98/38/60/411983860.db2.gz MZLGWEMHVFKIDN-SECBINFHSA-N -1 0 308.338 -0.399 20 0 DBADRM COC[C@H](CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)OC ZINC000655994453 411983863 /nfs/dbraw/zinc/98/38/63/411983863.db2.gz RSPBEZCMXSWOOE-UWVGGRQHSA-N -1 0 304.343 -0.763 20 0 DBADRM CC(C)C(=O)NCCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655994037 411983952 /nfs/dbraw/zinc/98/39/52/411983952.db2.gz LZCJZWPAHDZTHS-VIFPVBQESA-N -1 0 301.343 -0.898 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCC[C@H](C)CO)C(=O)[O-] ZINC000655994914 411983970 /nfs/dbraw/zinc/98/39/70/411983970.db2.gz WRWBAQZRZSHELR-WDEREUQCSA-N -1 0 302.371 -0.016 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000656004685 411984528 /nfs/dbraw/zinc/98/45/28/411984528.db2.gz QFRBKZONJCXREI-MRVPVSSYSA-N -1 0 307.306 -0.761 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCC2=O)C1)C(=O)[O-] ZINC000656001971 411984860 /nfs/dbraw/zinc/98/48/60/411984860.db2.gz QPEAXNFGCAHYNA-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC([C@H](C)CO)CC1)C(=O)[O-] ZINC000655999442 411984875 /nfs/dbraw/zinc/98/48/75/411984875.db2.gz KVMJJUVETLHKDZ-NXEZZACHSA-N -1 0 300.355 -0.310 20 0 DBADRM CC[C@]1(CO)CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000656002199 411984912 /nfs/dbraw/zinc/98/49/12/411984912.db2.gz WOXLECRTBSNECY-HZMBPMFUSA-N -1 0 300.355 -0.166 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC000656002727 411984953 /nfs/dbraw/zinc/98/49/53/411984953.db2.gz IBJQEMPSEBNYTA-LLVKDONJSA-N -1 0 320.349 -0.433 20 0 DBADRM COCCN(Cc1ccccn1)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656005835 411985066 /nfs/dbraw/zinc/98/50/66/411985066.db2.gz UZVNKUITUAYNMP-NSHDSACASA-N -1 0 323.349 -0.107 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC([C@H](C)CO)CC1)C(=O)[O-] ZINC000655999444 411985247 /nfs/dbraw/zinc/98/52/47/411985247.db2.gz KVMJJUVETLHKDZ-VHSXEESVSA-N -1 0 300.355 -0.310 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O)C(=O)[O-] ZINC000655998946 411985507 /nfs/dbraw/zinc/98/55/07/411985507.db2.gz YYCUDBCGWDUAGC-RKDXNWHRSA-N -1 0 313.354 -0.661 20 0 DBADRM COCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC000655999246 411985518 /nfs/dbraw/zinc/98/55/18/411985518.db2.gz CWPNHXGRICRNOH-UWVGGRQHSA-N -1 0 302.327 -0.913 20 0 DBADRM CCOCCO[C@H]1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000655999537 411985589 /nfs/dbraw/zinc/98/55/89/411985589.db2.gz HCKIFRRULNEAEP-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@@H](CO)C1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000655999443 411985613 /nfs/dbraw/zinc/98/56/13/411985613.db2.gz KVMJJUVETLHKDZ-UWVGGRQHSA-N -1 0 300.355 -0.310 20 0 DBADRM COCCO[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000656003023 411985863 /nfs/dbraw/zinc/98/58/63/411985863.db2.gz AZOFEBWPQKLISY-WDEREUQCSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCO[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000656003022 411985892 /nfs/dbraw/zinc/98/58/92/411985892.db2.gz AZOFEBWPQKLISY-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H]1CCO)C(=O)[O-] ZINC000656007785 411986499 /nfs/dbraw/zinc/98/64/99/411986499.db2.gz MUBXHQSFVCZJRJ-QWRGUYRKSA-N -1 0 300.355 -0.167 20 0 DBADRM COCCO[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000656006998 411986563 /nfs/dbraw/zinc/98/65/63/411986563.db2.gz ZXKNBCSCHWSBPB-ZJUUUORDSA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCCC[C@@H]1O)C(=O)[O-] ZINC000656006958 411986733 /nfs/dbraw/zinc/98/67/33/411986733.db2.gz ZHQICOVAJSUCDY-MXWKQRLJSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N(C)CC1(CO)CC1)C(=O)[O-] ZINC000656008027 411986991 /nfs/dbraw/zinc/98/69/91/411986991.db2.gz DEOBWJHKBIOXAN-SNVBAGLBSA-N -1 0 300.355 -0.310 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](CF)C1)C(=O)[O-] ZINC000656008732 411987180 /nfs/dbraw/zinc/98/71/80/411987180.db2.gz YNFXFBIUGCUUIJ-VHSXEESVSA-N -1 0 304.318 -0.344 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@@H](C)O)C1)C(=O)[O-] ZINC000656008298 411987221 /nfs/dbraw/zinc/98/72/21/411987221.db2.gz HVJCBZMTWAAESI-MXWKQRLJSA-N -1 0 300.355 -0.311 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000660465290 411992555 /nfs/dbraw/zinc/99/25/55/411992555.db2.gz XEIKVCPXSBNJHV-LPEHRKFASA-N -1 0 317.367 -0.233 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC000656102708 411996178 /nfs/dbraw/zinc/99/61/78/411996178.db2.gz NSAKGARPMSZTMK-SCZZXKLOSA-N -1 0 324.337 -0.094 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)n1 ZINC000656102709 411996270 /nfs/dbraw/zinc/99/62/70/411996270.db2.gz NSAKGARPMSZTMK-WCBMZHEXSA-N -1 0 324.337 -0.094 20 0 DBADRM CO[C@H](C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[O-])C1CC1 ZINC000656168125 411997061 /nfs/dbraw/zinc/99/70/61/411997061.db2.gz CZYNYPXHKDZCTP-GHMZBOCLSA-N -1 0 317.367 -0.033 20 0 DBADRM COc1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1F ZINC000656155955 411997092 /nfs/dbraw/zinc/99/70/92/411997092.db2.gz MOHTYAIIPXGLEZ-LDWIPMOCSA-N -1 0 307.299 -0.053 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)NCc1nocc1C(=O)[O-] ZINC000656164509 411997481 /nfs/dbraw/zinc/99/74/81/411997481.db2.gz DNGJLQQUAHXBQH-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM CO[C@H](C[C@@H](NS(=O)(=O)[C@H]1CCOC1)C(=O)[O-])C1CC1 ZINC000656167705 411997762 /nfs/dbraw/zinc/99/77/62/411997762.db2.gz AJQJZLJTMYICMG-HBNTYKKESA-N -1 0 307.368 -0.037 20 0 DBADRM Cc1noc(CN(C)S(=O)(=O)c2n[nH]cc2C(=O)[O-])n1 ZINC000656181385 411999157 /nfs/dbraw/zinc/99/91/57/411999157.db2.gz ASZYPSNEZKGIKB-UHFFFAOYSA-N -1 0 301.284 -0.380 20 0 DBADRM CO[C@H](C[C@H](NS(=O)(=O)c1c[nH]cn1)C(=O)[O-])C1CC1 ZINC000656168415 411999212 /nfs/dbraw/zinc/99/92/12/411999212.db2.gz HDQWGWJOWPBRBQ-DTWKUNHWSA-N -1 0 303.340 -0.044 20 0 DBADRM CO[C@@H](C[C@H](NS(=O)(=O)c1c[nH]cn1)C(=O)[O-])C1CC1 ZINC000656168416 411999624 /nfs/dbraw/zinc/99/96/24/411999624.db2.gz HDQWGWJOWPBRBQ-IUCAKERBSA-N -1 0 303.340 -0.044 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC000656247328 412000748 /nfs/dbraw/zinc/00/07/48/412000748.db2.gz IIQPQOSWFWXJIQ-NXEZZACHSA-N -1 0 309.326 -0.904 20 0 DBADRM COC1CCN(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)CC1 ZINC000656517253 412007454 /nfs/dbraw/zinc/00/74/54/412007454.db2.gz MDMIJENOGNPCSJ-BXKDBHETSA-N -1 0 304.368 -0.252 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000656526394 412007735 /nfs/dbraw/zinc/00/77/35/412007735.db2.gz RJOQLMYXRQCXHO-HBNTYKKESA-N -1 0 306.384 -0.222 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ncccc1C(F)(F)F ZINC000656528134 412007745 /nfs/dbraw/zinc/00/77/45/412007745.db2.gz SGSLDCMFJRYIGN-ZCFIWIBFSA-N -1 0 314.241 -0.176 20 0 DBADRM COC1CCN(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1 ZINC000656515629 412007907 /nfs/dbraw/zinc/00/79/07/412007907.db2.gz KOMLVCXZDWMTBM-KOLCDFICSA-N -1 0 322.383 -0.484 20 0 DBADRM Cc1cc(CS(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)on1 ZINC000656561066 412009787 /nfs/dbraw/zinc/00/97/87/412009787.db2.gz BFEVGKGZFXNGEV-BXKDBHETSA-N -1 0 316.335 -0.154 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)CCOCC(F)(F)F)CCOC1 ZINC000656564561 412010383 /nfs/dbraw/zinc/01/03/83/412010383.db2.gz RBNLFJVALFLECM-MRVPVSSYSA-N -1 0 321.273 -0.272 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NC[C@H](OC)[C@@H]1CCOC1 ZINC000656585964 412010797 /nfs/dbraw/zinc/01/07/97/412010797.db2.gz HSEQLYJMIWKAPT-MNOVXSKESA-N -1 0 304.343 -0.220 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-]c1n[nH]cc1C(N)=O)[C@@H]1CCOC1 ZINC000656629810 412011164 /nfs/dbraw/zinc/01/11/64/412011164.db2.gz YPEOHAKLPVNHPF-VXNVDRBHSA-N -1 0 318.355 -0.698 20 0 DBADRM CN(C[C@@H]1COCCO1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000656721597 412011950 /nfs/dbraw/zinc/01/19/50/412011950.db2.gz PYVUOSFGRKAWHJ-MRVPVSSYSA-N -1 0 304.324 -0.251 20 0 DBADRM CO[C@H](CNS(=O)(=O)N(C)CCC(=O)[O-])[C@H]1CCOC1 ZINC000656719591 412011998 /nfs/dbraw/zinc/01/19/98/412011998.db2.gz ZDFISYSBKPMCBX-VHSXEESVSA-N -1 0 310.372 -0.721 20 0 DBADRM COCCN(CCF)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000656718691 412012407 /nfs/dbraw/zinc/01/24/07/412012407.db2.gz BKQXLEPWZPPZLR-JTQLQIEISA-N -1 0 312.363 -0.054 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])C[C@H](C)O1 ZINC000656716853 412012431 /nfs/dbraw/zinc/01/24/31/412012431.db2.gz JSHGSMSHMZTWGQ-RGOKHQFPSA-N -1 0 308.356 -0.828 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C[C@@H](C)O1 ZINC000656720081 412012480 /nfs/dbraw/zinc/01/24/80/412012480.db2.gz MZXRYPBMDOUNGW-XTQFYOIMSA-N -1 0 304.368 -0.111 20 0 DBADRM CN(C[C@H]1COCCO1)S(=O)(=O)c1csnc1C(=O)[O-] ZINC000656722007 412012628 /nfs/dbraw/zinc/01/26/28/412012628.db2.gz ZXXXVOUYVNSVDA-ZETCQYMHSA-N -1 0 322.364 -0.123 20 0 DBADRM Nc1cccc(CC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000656854998 412013540 /nfs/dbraw/zinc/01/35/40/412013540.db2.gz HKDGSYUHKQNXCX-LLVKDONJSA-N -1 0 312.347 -0.479 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)n1 ZINC000656852224 412013776 /nfs/dbraw/zinc/01/37/76/412013776.db2.gz WVFUPLQNTGUUEV-OPRDCNLKSA-N -1 0 321.337 -0.004 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC000656852365 412013879 /nfs/dbraw/zinc/01/38/79/412013879.db2.gz ZLBLXGYBNNNVEH-SECBINFHSA-N -1 0 302.352 -0.443 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)n1 ZINC000656852223 412013934 /nfs/dbraw/zinc/01/39/34/412013934.db2.gz WVFUPLQNTGUUEV-IVZWLZJFSA-N -1 0 321.337 -0.004 20 0 DBADRM NC(=O)C1(CNS(=O)(=O)c2ccccc2[O-])CCOCC1 ZINC000656873105 412015378 /nfs/dbraw/zinc/01/53/78/412015378.db2.gz DPKVKVNQTMTZRW-UHFFFAOYSA-N -1 0 314.363 -0.047 20 0 DBADRM O=C1CN(CCCNS(=O)(=O)c2ccccc2[O-])CCN1 ZINC000656947509 412017546 /nfs/dbraw/zinc/01/75/46/412017546.db2.gz JIRVPQAITZSFIE-UHFFFAOYSA-N -1 0 313.379 -0.508 20 0 DBADRM NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccccc1[O-] ZINC000656952622 412017913 /nfs/dbraw/zinc/01/79/13/412017913.db2.gz ZEXUNHPASNBEFU-QMMMGPOBSA-N -1 0 302.377 -0.016 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCN2CCCC2=O)CCOCC1 ZINC000405401596 411947000 /nfs/dbraw/zinc/94/70/00/411947000.db2.gz WXHBCXXEOUOISP-UHFFFAOYSA-N -1 0 313.354 -0.211 20 0 DBADRM Cc1csc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000654776120 411951123 /nfs/dbraw/zinc/95/11/23/411951123.db2.gz URYGIOTXLSDASA-UHFFFAOYSA-N -1 0 306.365 -0.074 20 0 DBADRM C[C@H](CC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1)NC(N)=O ZINC000655021241 411960954 /nfs/dbraw/zinc/96/09/54/411960954.db2.gz LJTQOYIABCGQQI-SSDOTTSWSA-N -1 0 305.298 -0.247 20 0 DBADRM COc1cnccc1CNS(=O)(=O)[C@@H]1COC[C@@H]1OC ZINC000657027758 412024788 /nfs/dbraw/zinc/02/47/88/412024788.db2.gz ITIBDSMZYDHREL-NWDGAFQWSA-N -1 0 302.352 -0.077 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])[C@@H]1CO ZINC000659056759 412076894 /nfs/dbraw/zinc/07/68/94/412076894.db2.gz AKEFOMMYPRUGLF-PSASIEDQSA-N -1 0 307.306 -0.052 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659057455 412077136 /nfs/dbraw/zinc/07/71/36/412077136.db2.gz IABRVPKLCZERFG-SNVBAGLBSA-N -1 0 307.306 -0.052 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC(=O)N1 ZINC000659059842 412077322 /nfs/dbraw/zinc/07/73/22/412077322.db2.gz GYYRMGGSLVTUAN-SSDOTTSWSA-N -1 0 306.278 -0.935 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1cccnc1C(=O)[O-])C1CC1 ZINC000659052272 412077445 /nfs/dbraw/zinc/07/74/45/412077445.db2.gz AIIHZEXSZHDCLZ-AWEZNQCLSA-N -1 0 307.306 -0.005 20 0 DBADRM CCCNC(=O)CCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659052364 412077503 /nfs/dbraw/zinc/07/75/03/412077503.db2.gz UFBCMLQKGHKARN-UHFFFAOYSA-N -1 0 322.321 -0.249 20 0 DBADRM CN1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])C1=O ZINC000659053790 412076387 /nfs/dbraw/zinc/07/63/87/412076387.db2.gz KSXUVUVCNVTUJV-SECBINFHSA-N -1 0 320.305 -0.545 20 0 DBADRM CCN1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1=O ZINC000659059533 412076432 /nfs/dbraw/zinc/07/64/32/412076432.db2.gz TTWHAZWUMOAAEA-UHFFFAOYSA-N -1 0 306.278 -0.634 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N[C@H]1CCC[C@H]1CO ZINC000659060102 412076494 /nfs/dbraw/zinc/07/64/94/412076494.db2.gz IDNBSBVXCUEBNC-IUCAKERBSA-N -1 0 307.306 -0.005 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1 ZINC000659243085 412082685 /nfs/dbraw/zinc/08/26/85/412082685.db2.gz XECSVJYYYHGFTK-MGCOHNPYSA-N -1 0 312.347 -0.144 20 0 DBADRM CN(C(=O)Cn1nc2ccccn2c1=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659227249 412083043 /nfs/dbraw/zinc/08/30/43/412083043.db2.gz BPMFLMXFVLNCQG-AOOOYVTPSA-N -1 0 304.306 -0.182 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659230947 412084165 /nfs/dbraw/zinc/08/41/65/412084165.db2.gz IDDBYOAXTAJCCX-AOOOYVTPSA-N -1 0 306.384 -0.020 20 0 DBADRM Cc1ncccc1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659065813 412078358 /nfs/dbraw/zinc/07/83/58/412078358.db2.gz BUUBNACMVOAADL-MEBBXXQBSA-N -1 0 319.317 -0.112 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000659065398 412078792 /nfs/dbraw/zinc/07/87/92/412078792.db2.gz RXXUGJJRDGATFM-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000659224521 412080950 /nfs/dbraw/zinc/08/09/50/412080950.db2.gz NILXDAINICVJTQ-BDAKNGLRSA-N -1 0 306.384 -0.117 20 0 DBADRM CN(CC(=O)N[C@H](C(=O)[O-])c1ccsc1)S(C)(=O)=O ZINC000659162136 412081095 /nfs/dbraw/zinc/08/10/95/412081095.db2.gz XSUXUBFICLCTBB-VIFPVBQESA-N -1 0 306.365 -0.119 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC000659136811 412081127 /nfs/dbraw/zinc/08/11/27/412081127.db2.gz PXUWWCNDQWDRGN-GFCCVEGCSA-N -1 0 309.326 -0.498 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000659207729 412081138 /nfs/dbraw/zinc/08/11/38/412081138.db2.gz CBTHRNTZJUWUSB-VIFPVBQESA-N -1 0 306.384 -0.069 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1nc2ncccn2n1)[C@@H]1CCCOC1 ZINC000659145529 412081363 /nfs/dbraw/zinc/08/13/63/412081363.db2.gz FYLSPOVYTVWPIC-RKDXNWHRSA-N -1 0 305.294 -0.266 20 0 DBADRM O=C([O-])c1csc(CCNC(=O)C2(n3cnnn3)CC2)n1 ZINC000659161077 412081488 /nfs/dbraw/zinc/08/14/88/412081488.db2.gz OEABCSVBLXUBOV-UHFFFAOYSA-N -1 0 308.323 -0.324 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C1(n2cnnn2)CCOCC1 ZINC000659156995 412081688 /nfs/dbraw/zinc/08/16/88/412081688.db2.gz OZEZJWYVJASUSK-JTQLQIEISA-N -1 0 309.326 -0.356 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000659225241 412081737 /nfs/dbraw/zinc/08/17/37/412081737.db2.gz HSVNTGWUUMJNJY-KXUCPTDWSA-N -1 0 304.368 -0.411 20 0 DBADRM CN1C[C@@H](NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCC1=O ZINC000659398804 412086612 /nfs/dbraw/zinc/08/66/12/412086612.db2.gz GZGGUPWEPLIIME-ISTVAULSSA-N -1 0 311.338 -0.650 20 0 DBADRM Cn1cc(CCNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC000659394454 412086640 /nfs/dbraw/zinc/08/66/40/412086640.db2.gz USNNTEYFDVVOKD-BXUZGUMPSA-N -1 0 308.338 -0.295 20 0 DBADRM CCN1CC[C@@H](NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1=O ZINC000659402244 412086987 /nfs/dbraw/zinc/08/69/87/412086987.db2.gz BUEXNUDNNASQCS-GPCCPHFNSA-N -1 0 311.338 -0.650 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCCCCC(=O)[O-] ZINC000659407279 412087168 /nfs/dbraw/zinc/08/71/68/412087168.db2.gz ZRTDRUASJKXGHR-NXEZZACHSA-N -1 0 322.383 -0.257 20 0 DBADRM Cn1cnc(CCCNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659409322 412087238 /nfs/dbraw/zinc/08/72/38/412087238.db2.gz MORMAXYMUNSRRD-QMTHXVAHSA-N -1 0 323.353 -0.510 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NC[C@@H]1CCCNC1=O)C2 ZINC000659406484 412087634 /nfs/dbraw/zinc/08/76/34/412087634.db2.gz RQVNMGDPWFAIOY-IMSIIYSGSA-N -1 0 311.338 -0.745 20 0 DBADRM CC(C)C(=O)NCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659393096 412087701 /nfs/dbraw/zinc/08/77/01/412087701.db2.gz PZLOUGAPYRXTOS-QMTHXVAHSA-N -1 0 313.354 -0.499 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCC2)CCO1 ZINC000659420317 412087757 /nfs/dbraw/zinc/08/77/57/412087757.db2.gz LLUCZZVCHWBWIJ-LLVKDONJSA-N -1 0 313.354 -0.212 20 0 DBADRM CC(C)[C@@H](C)CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659652755 412098371 /nfs/dbraw/zinc/09/83/71/412098371.db2.gz NRFOUPDLVVBFHT-FIXISWKDSA-N -1 0 312.366 -0.046 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]3C[C@@H]31)C2 ZINC000659655808 412099329 /nfs/dbraw/zinc/09/93/29/412099329.db2.gz NDWGBGQBWCXGDM-KEBCXIEDSA-N -1 0 322.361 -0.149 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2COC[C@H]2C1)C(=O)[O-] ZINC000659661102 412099923 /nfs/dbraw/zinc/09/99/23/412099923.db2.gz GWCACELIUQCYIY-TUAOUCFPSA-N -1 0 312.366 -0.046 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)n1 ZINC000659663498 412100035 /nfs/dbraw/zinc/10/00/35/412100035.db2.gz ZXXVLYVOBAAAFG-GFCCVEGCSA-N -1 0 322.365 -0.083 20 0 DBADRM C[C@]1(CCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1(F)F ZINC000659665935 412100209 /nfs/dbraw/zinc/10/02/09/412100209.db2.gz SRZXXERZSPWKLF-UFBFGSQYSA-N -1 0 320.292 -0.150 20 0 DBADRM NC(=O)c1cccc2c1CCN(C(=O)C(=O)NCCC(=O)[O-])C2 ZINC000659657900 412100582 /nfs/dbraw/zinc/10/05/82/412100582.db2.gz DOXXGRDZQXDVSO-UHFFFAOYSA-N -1 0 319.317 -0.739 20 0 DBADRM Cn1ncc(C2CC2)c1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000659666447 412100747 /nfs/dbraw/zinc/10/07/47/412100747.db2.gz ZRJCRWHHNUQXAT-SNVBAGLBSA-N -1 0 320.349 -0.153 20 0 DBADRM CC(C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC000659659848 412100895 /nfs/dbraw/zinc/10/08/95/412100895.db2.gz VNSVHWIMMMGHAS-SNVBAGLBSA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659669318 412101379 /nfs/dbraw/zinc/10/13/79/412101379.db2.gz SABZDDGDJLFNAZ-VIFPVBQESA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCO[C@H](CF)C2)CCC1 ZINC000659671297 412101748 /nfs/dbraw/zinc/10/17/48/412101748.db2.gz WGZPLXUMMKINLM-SECBINFHSA-N -1 0 302.302 -0.446 20 0 DBADRM CCN(C(=O)c1ccnc2c(C(N)=O)cnn21)[C@@H](C)C(=O)[O-] ZINC000659770706 412122413 /nfs/dbraw/zinc/12/24/13/412122413.db2.gz OWVSGNSTZZZNJO-ZETCQYMHSA-N -1 0 305.294 -0.237 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)C2(n3cnnn3)CCOCC2)c1 ZINC000659766422 412122444 /nfs/dbraw/zinc/12/24/44/412122444.db2.gz ASYHRLJPIWVBNM-UHFFFAOYSA-N -1 0 318.293 -0.089 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)c2ccc(OCC(=O)[O-])cc2)CCO1 ZINC000659759310 412122577 /nfs/dbraw/zinc/12/25/77/412122577.db2.gz DLPOGGGBTUUYPL-GFCCVEGCSA-N -1 0 322.317 -0.263 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)c2ccc(OCC(=O)[O-])cc2)CCO1 ZINC000659759311 412122700 /nfs/dbraw/zinc/12/27/00/412122700.db2.gz DLPOGGGBTUUYPL-LBPRGKRZSA-N -1 0 322.317 -0.263 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CCCNC(=O)C1CC1)C2 ZINC000659778402 412122847 /nfs/dbraw/zinc/12/28/47/412122847.db2.gz IQCRWVGWDPMUNX-IAQYHMDHSA-N -1 0 310.350 -0.148 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)N[C@H]3CCCC[C@H]32)CCO1 ZINC000659762344 412122936 /nfs/dbraw/zinc/12/29/36/412122936.db2.gz FTSPDHJDYRGYFH-BJDJZHNGSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CN1CCCCCC1=O)C2 ZINC000659777461 412123086 /nfs/dbraw/zinc/12/30/86/412123086.db2.gz APLYWXXPOMEBBA-IAQYHMDHSA-N -1 0 310.350 -0.051 20 0 DBADRM Cn1nccc1COCC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659780498 412123957 /nfs/dbraw/zinc/12/39/57/412123957.db2.gz USUBCCGEKNKMFP-QMTHXVAHSA-N -1 0 309.322 -0.504 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CN1CCN(C3CC3)C1=O)C2 ZINC000659782720 412124192 /nfs/dbraw/zinc/12/41/92/412124192.db2.gz FJXMJBFMYCZLFB-MEBBXXQBSA-N -1 0 323.349 -0.554 20 0 DBADRM CC1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000659779398 412124275 /nfs/dbraw/zinc/12/42/75/412124275.db2.gz INTDSEWGPAASHZ-IAQYHMDHSA-N -1 0 310.350 -0.196 20 0 DBADRM COCCn1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659779110 412124381 /nfs/dbraw/zinc/12/43/81/412124381.db2.gz CJQPKSSLZAWOJK-QMTHXVAHSA-N -1 0 309.322 -0.297 20 0 DBADRM CCn1nc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1=O ZINC000659779991 412124770 /nfs/dbraw/zinc/12/47/70/412124770.db2.gz PMPYDJKPXFQIMU-YMTOWFKASA-N -1 0 307.306 -0.564 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)NCC1(C(=O)[O-])CCC1 ZINC000659786259 412125163 /nfs/dbraw/zinc/12/51/63/412125163.db2.gz XCVBLORBTACHMU-UHFFFAOYSA-N -1 0 322.383 -0.687 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 ZINC000659782448 412125224 /nfs/dbraw/zinc/12/52/24/412125224.db2.gz AQWGMYOWEXESEB-KBVBSXBZSA-N -1 0 303.336 -0.877 20 0 DBADRM CC(C)N(C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C1CC1 ZINC000662903504 412208924 /nfs/dbraw/zinc/20/89/24/412208924.db2.gz DRNLQHCYRCPAAA-MEBBXXQBSA-N -1 0 310.350 -0.055 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)[C@H](Nc2nccc(N3CCOCC3)n2)C1 ZINC000662896287 412209330 /nfs/dbraw/zinc/20/93/30/412209330.db2.gz JIHJLGDGYCXHRU-HBNTYKKESA-N -1 0 308.338 -0.051 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@@H]1C ZINC000662904855 412209387 /nfs/dbraw/zinc/20/93/87/412209387.db2.gz TUQDULFZIFZGBF-KIGUWFBYSA-N -1 0 310.350 -0.340 20 0 DBADRM C[C@@H]1C[C@H](C)CN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662905730 412209949 /nfs/dbraw/zinc/20/99/49/412209949.db2.gz GHLXXDBGIIWLLR-MYQWFSQQSA-N -1 0 310.350 -0.197 20 0 DBADRM CC1=C[C@H](C)CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662908459 412211189 /nfs/dbraw/zinc/21/11/89/412211189.db2.gz YGNPUOPQECSAOD-KANYHAFZSA-N -1 0 322.361 -0.029 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)Cc2cn(C)nn2)C[C@H]1C(=O)[O-] ZINC000662911064 412211367 /nfs/dbraw/zinc/21/13/67/412211367.db2.gz RBYOKTOWBXWMDT-GXSJLCMTSA-N -1 0 323.353 -0.657 20 0 DBADRM C[C@@]12COC[C@H]1CN(C(=O)C(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC000662911391 412211412 /nfs/dbraw/zinc/21/14/12/412211412.db2.gz DNLHSDAHPRKTOZ-IAQYHMDHSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](Cn3ccnn3)C2)C1 ZINC000662913057 412211638 /nfs/dbraw/zinc/21/16/38/412211638.db2.gz JMXCOPVZJMBBMO-MNOVXSKESA-N -1 0 321.337 -0.940 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000662915240 412211985 /nfs/dbraw/zinc/21/19/85/412211985.db2.gz XGZBIOPKPICFOB-VXGBXAGGSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3C[C@@H]3C1)C2 ZINC000662914523 412212099 /nfs/dbraw/zinc/21/20/99/412212099.db2.gz BFWZZMGMNMDQKU-UYUMYWFVSA-N -1 0 308.334 -0.586 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CCF)C2)CCO1 ZINC000662914956 412212359 /nfs/dbraw/zinc/21/23/59/412212359.db2.gz VDPMDFVPGWLYJO-GHMZBOCLSA-N -1 0 316.329 -0.103 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)Cc1n[n-]c(=O)o1 ZINC000660849767 412148295 /nfs/dbraw/zinc/14/82/95/412148295.db2.gz FGYUXXKTDCMZSP-RKDXNWHRSA-N -1 0 311.342 -0.681 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)Cc1nnnn1CC1CCOCC1 ZINC000660843453 412149099 /nfs/dbraw/zinc/14/90/99/412149099.db2.gz YBDYEUFLLWSVDQ-UHFFFAOYSA-N -1 0 309.330 -0.180 20 0 DBADRM O=S1(=O)[N-]C(CN2CCOC[C@H]2CO)=Nc2ccccc21 ZINC000661562900 412161490 /nfs/dbraw/zinc/16/14/90/412161490.db2.gz MBRRVTTWRXLCAM-SNVBAGLBSA-N -1 0 311.363 -0.298 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C2(n3cnnn3)CC2)C[C@H]1C(F)(F)F ZINC000663025414 412223909 /nfs/dbraw/zinc/22/39/09/412223909.db2.gz IYOALIUMQHECDF-RNFRBKRXSA-N -1 0 319.243 -0.116 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CC1)CC2 ZINC000663047095 412223984 /nfs/dbraw/zinc/22/39/84/412223984.db2.gz AYPHCFOGYKDJJY-JOYOIKCWSA-N -1 0 308.338 -0.034 20 0 DBADRM Cc1csc(=O)n1CCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000663028393 412224095 /nfs/dbraw/zinc/22/40/95/412224095.db2.gz SQJVLDOCDXSVBN-SECBINFHSA-N -1 0 300.336 -0.080 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000663043913 412224098 /nfs/dbraw/zinc/22/40/98/412224098.db2.gz JVQZGPZVAQGHLK-LKFCYVNXSA-N -1 0 324.337 -0.479 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2ccnc(C)n2)CC1 ZINC000663044719 412224148 /nfs/dbraw/zinc/22/41/48/412224148.db2.gz SDOOKYNYOVQHQF-CQSZACIVSA-N -1 0 308.338 -0.077 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000663045094 412224212 /nfs/dbraw/zinc/22/42/12/412224212.db2.gz WZMRKSAEEDIFGY-LKFCYVNXSA-N -1 0 324.337 -0.560 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC[C@H]2C(=O)[O-])C1 ZINC000663026346 412224335 /nfs/dbraw/zinc/22/43/35/412224335.db2.gz MPYYHRCICDKGAY-UWVGGRQHSA-N -1 0 319.383 -0.632 20 0 DBADRM C[C@H]1CN(C(=O)C2(C(=O)[O-])CC=CC2)CCN1S(C)(=O)=O ZINC000663051588 412224403 /nfs/dbraw/zinc/22/44/03/412224403.db2.gz YZELHNVMFUKPDZ-JTQLQIEISA-N -1 0 316.379 -0.100 20 0 DBADRM Cc1ccoc1CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000663054095 412225041 /nfs/dbraw/zinc/22/50/41/412225041.db2.gz IJJFINHWRNYAJR-VIFPVBQESA-N -1 0 301.320 -0.159 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CN1CCN(C2CC2)C1=O)C(=O)[O-] ZINC000663060899 412225049 /nfs/dbraw/zinc/22/50/49/412225049.db2.gz QASSEMNYOGAUPI-LBPRGKRZSA-N -1 0 321.337 -0.438 20 0 DBADRM Cn1nccc1[C@H](NC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC000663059600 412225240 /nfs/dbraw/zinc/22/52/40/412225240.db2.gz GEIMRYIGYIZNKZ-NSHDSACASA-N -1 0 321.341 -0.354 20 0 DBADRM CCn1cnc(C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1 ZINC000663055679 412225323 /nfs/dbraw/zinc/22/53/23/412225323.db2.gz CJSABDNVCFZUAL-MRVPVSSYSA-N -1 0 306.282 -0.691 20 0 DBADRM Cc1ccncc1CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000663053178 412225345 /nfs/dbraw/zinc/22/53/45/412225345.db2.gz AOVMGVLLVCFMFF-NSHDSACASA-N -1 0 312.347 -0.357 20 0 DBADRM O=C([O-])C1(C(=O)NCCCN2CCCS2(=O)=O)CCC1 ZINC000663065696 412225490 /nfs/dbraw/zinc/22/54/90/412225490.db2.gz DGCGTDUAYYWHTB-UHFFFAOYSA-N -1 0 304.368 -0.217 20 0 DBADRM CO[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C1CCCC1 ZINC000663053226 412225544 /nfs/dbraw/zinc/22/55/44/412225544.db2.gz AVGPIJRLMAFZQI-MNOVXSKESA-N -1 0 319.379 -0.098 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663062268 412225594 /nfs/dbraw/zinc/22/55/94/412225594.db2.gz STQPPMLPVPRVPZ-GMTAPVOTSA-N -1 0 318.395 -0.069 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000663074544 412225644 /nfs/dbraw/zinc/22/56/44/412225644.db2.gz MUGUGQGDXWXNFH-AWEZNQCLSA-N -1 0 322.321 -0.554 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C1(C(=O)[O-])CC=CC1 ZINC000663098646 412226164 /nfs/dbraw/zinc/22/61/64/412226164.db2.gz MRLIJIITTHPJMJ-JTQLQIEISA-N -1 0 316.379 -0.052 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)[C@](C)(OC)C(=O)[O-] ZINC000663080780 412226313 /nfs/dbraw/zinc/22/63/13/412226313.db2.gz XIASRWBSDRRENR-NSHDSACASA-N -1 0 310.372 -0.736 20 0 DBADRM O=C([O-])[C@@H](C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C1CC1 ZINC000663084709 412226316 /nfs/dbraw/zinc/22/63/16/412226316.db2.gz ZAEORVXYHGTUQL-LLVKDONJSA-N -1 0 323.349 -0.953 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N(CC(=O)[O-])C2CCC2)C1 ZINC000663120888 412226332 /nfs/dbraw/zinc/22/63/32/412226332.db2.gz BASYFNBWYKTQTK-SECBINFHSA-N -1 0 319.383 -0.632 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@](C)(OC)C(=O)[O-] ZINC000663098263 412226376 /nfs/dbraw/zinc/22/63/76/412226376.db2.gz INSKLJDWSLNJFH-LDYMZIIASA-N -1 0 308.356 -0.984 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1(C(=O)[O-])CC=CC1 ZINC000663126976 412226721 /nfs/dbraw/zinc/22/67/21/412226721.db2.gz FCPNAVWSHYTEIU-DTWKUNHWSA-N -1 0 303.336 -0.664 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1 ZINC000663115645 412226737 /nfs/dbraw/zinc/22/67/37/412226737.db2.gz XTFPDCGPCHIZRJ-HNNXBMFYSA-N -1 0 311.382 -0.232 20 0 DBADRM NC(=O)[C@]1(NC(=O)c2ccc(OCC(=O)[O-])cc2)CCOC1 ZINC000663121061 412226745 /nfs/dbraw/zinc/22/67/45/412226745.db2.gz DIJDPWLWSVIARX-AWEZNQCLSA-N -1 0 308.290 -0.476 20 0 DBADRM NC(=O)[C@@]1(NC(=O)c2ccc(OCC(=O)[O-])cc2)CCOC1 ZINC000663121062 412226773 /nfs/dbraw/zinc/22/67/73/412226773.db2.gz DIJDPWLWSVIARX-CQSZACIVSA-N -1 0 308.290 -0.476 20 0 DBADRM CCN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@@H](C)C(=O)[O-] ZINC000663126841 412226989 /nfs/dbraw/zinc/22/69/89/412226989.db2.gz ZUFIVHLZWJEECW-DTWKUNHWSA-N -1 0 307.372 -0.777 20 0 DBADRM COc1ccc(NC(=O)C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000663131822 412227226 /nfs/dbraw/zinc/22/72/26/412227226.db2.gz UXOONPKDQGFUIN-AWEZNQCLSA-N -1 0 308.290 -0.006 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@H](C(=O)[O-])C(C)C)C[C@H]21 ZINC000663135077 412227308 /nfs/dbraw/zinc/22/73/08/412227308.db2.gz KSMAVSUKWVTKAL-ZRUFSTJUSA-N -1 0 319.379 -0.386 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@@H](C(=O)[O-])C(C)C)C[C@H]21 ZINC000663135076 412227551 /nfs/dbraw/zinc/22/75/51/412227551.db2.gz KSMAVSUKWVTKAL-VLEAKVRGSA-N -1 0 319.379 -0.386 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000663130924 412227567 /nfs/dbraw/zinc/22/75/67/412227567.db2.gz PDIWUNBWEPERJA-LBPRGKRZSA-N -1 0 314.319 -0.693 20 0 DBADRM C[C@@](NC(=O)CN1CC(=O)NC1=O)(C(=O)[O-])c1ccccc1 ZINC000663141611 412227595 /nfs/dbraw/zinc/22/75/95/412227595.db2.gz NNUPRLSLEHOACN-AWEZNQCLSA-N -1 0 305.290 -0.346 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC000663136514 412227683 /nfs/dbraw/zinc/22/76/83/412227683.db2.gz HPHHLDPZCQZSSP-HZMBPMFUSA-N -1 0 313.354 -0.118 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000663127467 412227758 /nfs/dbraw/zinc/22/77/58/412227758.db2.gz LXIRKNBHDWYCQF-MXWKQRLJSA-N -1 0 319.379 -0.194 20 0 DBADRM Cn1cnn(CC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c1=O ZINC000663138405 412227907 /nfs/dbraw/zinc/22/79/07/412227907.db2.gz IZNRWQNHTZNOBU-UHFFFAOYSA-N -1 0 308.298 -0.763 20 0 DBADRM COc1ccc(NC(=O)C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000663131823 412227996 /nfs/dbraw/zinc/22/79/96/412227996.db2.gz UXOONPKDQGFUIN-CQSZACIVSA-N -1 0 308.290 -0.006 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000663127465 412228016 /nfs/dbraw/zinc/22/80/16/412228016.db2.gz LXIRKNBHDWYCQF-GMTAPVOTSA-N -1 0 319.379 -0.194 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000663143716 412228048 /nfs/dbraw/zinc/22/80/48/412228048.db2.gz BDUMGWWEMFLEDI-LBPRGKRZSA-N -1 0 312.347 -0.254 20 0 DBADRM O=C([O-])CN1CC[C@H](n2c(=O)onc2-c2cnccn2)C1=O ZINC000663218561 412228679 /nfs/dbraw/zinc/22/86/79/412228679.db2.gz AJOFJPNNKDUPOX-QMMMGPOBSA-N -1 0 305.250 -0.849 20 0 DBADRM CC1([C@@]2(C)NC(=O)N([C@@H]3CCN(CC(=O)[O-])C3=O)C2=O)CC1 ZINC000663220910 412228754 /nfs/dbraw/zinc/22/87/54/412228754.db2.gz WBRYATATZDSVSE-CLAHSXSESA-N -1 0 309.322 -0.218 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)[C@]23CCC(=O)N2CCS3)n1 ZINC000663145099 412228852 /nfs/dbraw/zinc/22/88/52/412228852.db2.gz UYCPIQFFZSJOEH-GFCCVEGCSA-N -1 0 310.335 -0.028 20 0 DBADRM O=C([O-])CN1CC[C@H](n2nnc3cc(F)ccc3c2=O)C1=O ZINC000663219006 412229267 /nfs/dbraw/zinc/22/92/67/412229267.db2.gz GJLVMDQVQAFRND-JTQLQIEISA-N -1 0 306.253 -0.211 20 0 DBADRM CC(C)CN1C(=O)C(=O)N([C@H]2CCN(CC(=O)[O-])C2=O)C1=O ZINC000663219559 412229317 /nfs/dbraw/zinc/22/93/17/412229317.db2.gz PWUQITKBSQHQDG-QMMMGPOBSA-N -1 0 311.294 -0.881 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC1CCC1)C2 ZINC000663252997 412230457 /nfs/dbraw/zinc/23/04/57/412230457.db2.gz NRNUJBVQOMHZPU-JTQLQIEISA-N -1 0 314.367 -0.015 20 0 DBADRM CCCCS(=O)(=O)N1Cc2nnc(C)n2C[C@H]1C(=O)[O-] ZINC000663252165 412230473 /nfs/dbraw/zinc/23/04/73/412230473.db2.gz BTNLZNHXPKGIBY-VIFPVBQESA-N -1 0 302.356 -0.015 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC000663285315 412230526 /nfs/dbraw/zinc/23/05/26/412230526.db2.gz FXPNKFWYINPVAM-QMMMGPOBSA-N -1 0 307.299 -0.052 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC2(CCC2)[C@@H]1C(=O)[O-] ZINC000663287844 412230603 /nfs/dbraw/zinc/23/06/03/412230603.db2.gz LBZSJMHHZDLKDX-IUCAKERBSA-N -1 0 304.368 -0.268 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000663286595 412230674 /nfs/dbraw/zinc/23/06/74/412230674.db2.gz RKICTDWMURZJNH-LDWIPMOCSA-N -1 0 307.299 -0.053 20 0 DBADRM COCCCS(=O)(=O)N1CC2(CCOCC2)[C@H]1C(=O)[O-] ZINC000663291029 412230854 /nfs/dbraw/zinc/23/08/54/412230854.db2.gz XPULXGGVOSNONL-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM CCNS(=O)(=O)N1CCC[C@H](N(CC(=O)[O-])C(C)=O)CC1 ZINC000663253151 412230954 /nfs/dbraw/zinc/23/09/54/412230954.db2.gz ILUKVZBRLNUOOE-NSHDSACASA-N -1 0 321.399 -0.372 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)[O-])N(S(=O)(=O)c1ccco1)C2 ZINC000663252295 412231261 /nfs/dbraw/zinc/23/12/61/412231261.db2.gz GMJUCVDEFQJQGU-QMMMGPOBSA-N -1 0 312.307 -0.163 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000663429702 412232061 /nfs/dbraw/zinc/23/20/61/412232061.db2.gz GTWOSEKPRRFWJF-AXFHLTTASA-N -1 0 304.368 -0.252 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@H]3COC[C@H]3C2)cn1 ZINC000663442551 412232423 /nfs/dbraw/zinc/23/24/23/412232423.db2.gz BLYOPNUMHHTXTF-VHSXEESVSA-N -1 0 315.351 -0.375 20 0 DBADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000663489433 412233798 /nfs/dbraw/zinc/23/37/98/412233798.db2.gz FYAJMZOWZHZUJX-UHFFFAOYSA-N -1 0 316.317 -0.156 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)OC ZINC000663627299 412236765 /nfs/dbraw/zinc/23/67/65/412236765.db2.gz DLWLOGSFWLSLIH-MNOVXSKESA-N -1 0 316.354 -0.619 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NCCCn1cncn1)C1CCC1 ZINC000663618936 412236944 /nfs/dbraw/zinc/23/69/44/412236944.db2.gz WLPKZDHKWAXUGW-NSHDSACASA-N -1 0 323.353 -0.599 20 0 DBADRM COC[C@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)OC ZINC000663627302 412237163 /nfs/dbraw/zinc/23/71/63/412237163.db2.gz DLWLOGSFWLSLIH-WDEREUQCSA-N -1 0 316.354 -0.619 20 0 DBADRM CN(CC1(CO)CC1)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663637303 412237656 /nfs/dbraw/zinc/23/76/56/412237656.db2.gz YJPMNYNSTUGELK-LLVKDONJSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCc2c[nH]nc2C1)C1CCC1 ZINC000663636854 412237678 /nfs/dbraw/zinc/23/76/78/412237678.db2.gz UDRLYWOMKRMHIF-LLVKDONJSA-N -1 0 320.349 -0.089 20 0 DBADRM CN(CCOCCO)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663636825 412237743 /nfs/dbraw/zinc/23/77/43/412237743.db2.gz BSDAPOKIYMIUPE-LLVKDONJSA-N -1 0 316.354 -0.929 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCC[C@@H](CO)C1)C1CCC1 ZINC000663635232 412238016 /nfs/dbraw/zinc/23/80/16/412238016.db2.gz OFPSLSPRPCXCCX-ZYHUDNBSSA-N -1 0 312.366 -0.166 20 0 DBADRM Cn1nnc2c1ncnc2N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000663885148 412242909 /nfs/dbraw/zinc/24/29/09/412242909.db2.gz BMZNKTCZIIHADV-ZETCQYMHSA-N -1 0 301.314 -0.034 20 0 DBADRM CNS(=O)(=O)CCNC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665310123 412306342 /nfs/dbraw/zinc/30/63/42/412306342.db2.gz JDIOJQNRMLUYNM-SECBINFHSA-N -1 0 307.372 -0.664 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665312233 412306971 /nfs/dbraw/zinc/30/69/71/412306971.db2.gz GSLLUHVWTMASHB-SNVBAGLBSA-N -1 0 321.399 -0.145 20 0 DBADRM O=C([O-])[C@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)C1CCC1 ZINC000665318495 412308571 /nfs/dbraw/zinc/30/85/71/412308571.db2.gz YKDGVHHNILZRFW-GHMZBOCLSA-N -1 0 311.342 -0.561 20 0 DBADRM CC(C)(CNc1ncncc1C(=O)[O-])N1CCS(=O)CC1 ZINC000568274715 412309198 /nfs/dbraw/zinc/30/91/98/412309198.db2.gz KLCNCGVXUGVQPZ-UHFFFAOYSA-N -1 0 312.395 0.430 20 0 DBADRM NC(=O)COc1cccc(C(=O)Nc2ccn(CC(=O)[O-])n2)c1 ZINC000362600829 412327245 /nfs/dbraw/zinc/32/72/45/412327245.db2.gz HECUMSFDEBHIEZ-UHFFFAOYSA-N -1 0 318.289 0.084 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2ccc(C(N)=O)nn2)C1=O ZINC000416448648 412344439 /nfs/dbraw/zinc/34/44/39/412344439.db2.gz UNXNWQKMGIZFSJ-KOLCDFICSA-N -1 0 321.337 -0.303 20 0 DBADRM Cn1[n-]c(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1=O ZINC000665309216 412304808 /nfs/dbraw/zinc/30/48/08/412304808.db2.gz NZMFQBNLYYJRCG-NSHDSACASA-N -1 0 308.338 -0.411 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)Nc1nc(C)n(C)n1)C(=O)[O-] ZINC000424439406 412374649 /nfs/dbraw/zinc/37/46/49/412374649.db2.gz NXOHXDYYMUEXPJ-UHFFFAOYSA-N -1 0 311.342 0.069 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000606116441 412377917 /nfs/dbraw/zinc/37/79/17/412377917.db2.gz ZCFSXCAQDBTGNW-UHFFFAOYSA-N -1 0 312.293 -0.360 20 0 DBADRM CCCc1nc(=NC(=O)Nc2ccn(CC(N)=O)n2)s[n-]1 ZINC000350998503 412396167 /nfs/dbraw/zinc/39/61/67/412396167.db2.gz NQFULZHDFQDYRK-UHFFFAOYSA-N -1 0 309.355 0.238 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)c2cccc(-n3cnnn3)c2)n1 ZINC000362607903 412417807 /nfs/dbraw/zinc/41/78/07/412417807.db2.gz XEPGCXIGCGVJHY-UHFFFAOYSA-N -1 0 313.277 0.196 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)CNC(=O)Cc2ccccc2)n1 ZINC000362609874 412417829 /nfs/dbraw/zinc/41/78/29/412417829.db2.gz WSDIXCKSAFQHMM-UHFFFAOYSA-N -1 0 316.317 0.265 20 0 DBADRM Cc1ccc(NCCCNC(=O)C(=O)NCCCC(=O)[O-])nc1 ZINC000420533654 412432128 /nfs/dbraw/zinc/43/21/28/412432128.db2.gz JDYKXQCIJFEWOB-UHFFFAOYSA-N -1 0 322.365 0.289 20 0 DBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1c(C)onc1N ZINC000563226443 412488094 /nfs/dbraw/zinc/48/80/94/412488094.db2.gz NPOBYVODKNUECY-LURJTMIESA-N -1 0 307.328 -0.325 20 0 DBADRM Cc1nc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)nn1C ZINC000344587726 412456223 /nfs/dbraw/zinc/45/62/23/412456223.db2.gz QVCOGPLAWLEVQL-UHFFFAOYSA-N -1 0 315.293 0.434 20 0 DBADRM CCn1ccnc(N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1=O ZINC000416442679 412463740 /nfs/dbraw/zinc/46/37/40/412463740.db2.gz FYOZGZVYRQIUGY-WDEREUQCSA-N -1 0 322.365 0.385 20 0 DBADRM Cc1sc(NC[C@@]2(O)CCS(=O)(=O)C2)nc1C(=O)[O-] ZINC000578511375 412467629 /nfs/dbraw/zinc/46/76/29/412467629.db2.gz OVKISXFRZKLNCP-JTQLQIEISA-N -1 0 306.365 0.111 20 0 DBADRM Cc1sc(NCC2(O)CCS(=O)(=O)CC2)nc1C(=O)[O-] ZINC000582728246 412468042 /nfs/dbraw/zinc/46/80/42/412468042.db2.gz YXQAVIISAVLQHI-UHFFFAOYSA-N -1 0 320.392 0.501 20 0 DBADRM Cc1nc(CNS(=O)(=O)c2cnnn2C)ccc1C(=O)[O-] ZINC000650413131 418942643 /nfs/dbraw/zinc/94/26/43/418942643.db2.gz MYSFVNJVJULFDR-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM Cn1nncc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000650419795 418943198 /nfs/dbraw/zinc/94/31/98/418943198.db2.gz YMEHNCYCDCJXKO-RXMQYKEDSA-N -1 0 316.261 -0.253 20 0 DBADRM Cc1cc(CS(=O)(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)on1 ZINC000650446914 418946737 /nfs/dbraw/zinc/94/67/37/418946737.db2.gz POCJOYLSHPFOGV-PSASIEDQSA-N -1 0 304.324 -0.013 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000650446137 418946857 /nfs/dbraw/zinc/94/68/57/418946857.db2.gz KTKDDUGMVFCLIG-IYSWYEEDSA-N -1 0 305.312 -0.742 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H](C(=O)[O-])O1 ZINC000650445696 418947146 /nfs/dbraw/zinc/94/71/46/418947146.db2.gz RXMCDDQIKIBABU-LMLFDSFASA-N -1 0 322.383 -0.486 20 0 DBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000665786772 418948055 /nfs/dbraw/zinc/94/80/55/418948055.db2.gz XXOCJHBLVNYHBA-JTQLQIEISA-N -1 0 321.381 -0.449 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1=O ZINC000665807263 418948816 /nfs/dbraw/zinc/94/88/16/418948816.db2.gz MJNMDBWIEMDKLV-NSHDSACASA-N -1 0 322.365 -0.163 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C1CC1 ZINC000652122621 418950642 /nfs/dbraw/zinc/95/06/42/418950642.db2.gz DQLZQWUBCFTHJF-AEJSXWLSSA-N -1 0 302.352 -0.753 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000666268624 418980101 /nfs/dbraw/zinc/98/01/01/418980101.db2.gz MYFQDPGGOBDXQM-UHFFFAOYSA-N -1 0 309.370 -0.590 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCNC(=O)c2ccccc2)CCO1 ZINC000666512808 418983790 /nfs/dbraw/zinc/98/37/90/418983790.db2.gz BGOYOQQLHAHMMC-GFCCVEGCSA-N -1 0 321.333 -0.089 20 0 DBADRM Cn1ccnc1-c1cc(NC(=O)CN2CCN(C)CC2)n[nH]1 ZINC000119446656 544419889 /nfs/dbraw/zinc/41/98/89/544419889.db2.gz LASYYLNWFSFQGN-UHFFFAOYSA-N -1 0 303.370 -0.004 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000394224100 544420985 /nfs/dbraw/zinc/42/09/85/544420985.db2.gz OGOLOJOPDKJCFJ-NXEZZACHSA-N -1 0 306.384 -0.020 20 0 DBADRM O=C(CN1CCCS1(=O)=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000668307241 544424619 /nfs/dbraw/zinc/42/46/19/544424619.db2.gz APUQAGPDWCCFNC-LLVKDONJSA-N -1 0 320.367 -0.982 20 0 DBADRM CN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@@H]1CCOC1 ZINC000668402313 544433756 /nfs/dbraw/zinc/43/37/56/544433756.db2.gz LUFWDNAJEFPNCW-MRVPVSSYSA-N -1 0 300.336 -0.100 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H](C(N)=O)C(C)C)cc1C(=O)[O-] ZINC000230952582 544471039 /nfs/dbraw/zinc/47/10/39/544471039.db2.gz BHRCCKNIJJHXJF-SNVBAGLBSA-N -1 0 317.367 -0.006 20 0 DBADRM COc1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1OC ZINC000074733772 544475351 /nfs/dbraw/zinc/47/53/51/544475351.db2.gz OMUXWSDUVMPYAX-UHFFFAOYSA-N -1 0 306.278 -0.182 20 0 DBADRM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1n[nH]c(=O)[n-]1 ZINC000332951772 544549422 /nfs/dbraw/zinc/54/94/22/544549422.db2.gz NYVOOEJEOYLDGG-IUCAKERBSA-N -1 0 321.337 -0.308 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC000653290030 544502974 /nfs/dbraw/zinc/50/29/74/544502974.db2.gz HMMQHUWEQDTDBS-WDEREUQCSA-N -1 0 322.365 -0.050 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C(=O)[O-])C2CC2)C1 ZINC000227322688 544513565 /nfs/dbraw/zinc/51/35/65/544513565.db2.gz OBASYSLVJNBJAC-VHSXEESVSA-N -1 0 304.368 -0.363 20 0 DBADRM CN1CC[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1=O ZINC000669006610 544518966 /nfs/dbraw/zinc/51/89/66/544518966.db2.gz MMPTUOWKONARHL-SECBINFHSA-N -1 0 313.335 -1.000 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000673480237 544564084 /nfs/dbraw/zinc/56/40/84/544564084.db2.gz VVBXISSAWUZPPG-MRVPVSSYSA-N -1 0 320.371 -0.303 20 0 DBADRM CC(C)[C@@H](CNC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC000087478918 544581089 /nfs/dbraw/zinc/58/10/89/544581089.db2.gz QURVKIHRZGMDBN-SECBINFHSA-N -1 0 317.367 -0.241 20 0 DBADRM CC(C)[C@H](CNC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC000087478921 544581930 /nfs/dbraw/zinc/58/19/30/544581930.db2.gz QURVKIHRZGMDBN-VIFPVBQESA-N -1 0 317.367 -0.241 20 0 DBADRM COCC[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC000262327933 292637010 /nfs/dbraw/zinc/63/70/10/292637010.db2.gz ULSWLEYDZZKTNH-RKDXNWHRSA-N -1 0 324.399 -0.444 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000400290624 544636043 /nfs/dbraw/zinc/63/60/43/544636043.db2.gz LHCGTYQIAHAZAQ-SECBINFHSA-N -1 0 319.383 -0.426 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000157182432 544630219 /nfs/dbraw/zinc/63/02/19/544630219.db2.gz ODUPTACHAVWPLQ-QNSHHTMESA-N -1 0 302.290 -0.339 20 0 DBADRM COc1cncc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000281880884 544677271 /nfs/dbraw/zinc/67/72/71/544677271.db2.gz OBJKEYMJHVKUMQ-XCBNKYQSSA-N -1 0 302.308 -0.701 20 0 DBADRM COc1cncc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000281880881 544678121 /nfs/dbraw/zinc/67/81/21/544678121.db2.gz OBJKEYMJHVKUMQ-GMSGAONNSA-N -1 0 302.308 -0.701 20 0 DBADRM CN(C(=O)C1(C(=O)[O-])CCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000312746135 544722098 /nfs/dbraw/zinc/72/20/98/544722098.db2.gz WIDJRTZVPHMBHX-VIFPVBQESA-N -1 0 304.368 -0.266 20 0 DBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000681555952 544693674 /nfs/dbraw/zinc/69/36/74/544693674.db2.gz KNVXQGXXLGZXJD-MRVPVSSYSA-N -1 0 305.356 -0.731 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CCO1 ZINC000667646307 544746732 /nfs/dbraw/zinc/74/67/32/544746732.db2.gz PXXSYGZGBGYIMJ-SNVBAGLBSA-N -1 0 318.289 -0.644 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCNC(=O)CC1 ZINC000668173801 544757939 /nfs/dbraw/zinc/75/79/39/544757939.db2.gz SVUOYVQJOLESJS-UHFFFAOYSA-N -1 0 302.290 -0.008 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)c1[O-] ZINC000672306978 544770005 /nfs/dbraw/zinc/77/00/05/544770005.db2.gz HOTGGUHWMOAHMX-UHFFFAOYSA-N -1 0 307.310 -0.326 20 0 DBADRM C[C@@]1(c2ccc(C(=O)NCc3nnn[n-]3)cc2)NC(=O)NC1=O ZINC000673963401 544816441 /nfs/dbraw/zinc/81/64/41/544816441.db2.gz KYFRUVRLGICIQS-ZDUSSCGKSA-N -1 0 315.293 -0.816 20 0 DBADRM C[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000673949819 544816502 /nfs/dbraw/zinc/81/65/02/544816502.db2.gz XMAWAUBNCFFJEP-HLTSFMKQSA-N -1 0 321.337 -0.310 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN([C@@H]2CCOC2)CC1 ZINC000672992561 544792365 /nfs/dbraw/zinc/79/23/65/544792365.db2.gz PMUQZVSMAOBTJK-SECBINFHSA-N -1 0 313.383 -0.465 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000673122523 544796972 /nfs/dbraw/zinc/79/69/72/544796972.db2.gz UWRCDOCHTNBFEX-BHNWBGBOSA-N -1 0 311.367 -0.285 20 0 DBADRM CCC[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)c1nnn[n-]1 ZINC000675144591 544844353 /nfs/dbraw/zinc/84/43/53/544844353.db2.gz REEAAHHDWZIAEO-MRVPVSSYSA-N -1 0 318.403 -0.125 20 0 DBADRM CN(CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)S(C)(=O)=O ZINC000675977288 544856271 /nfs/dbraw/zinc/85/62/71/544856271.db2.gz CBGIYXNNNBPILK-ZDUSSCGKSA-N -1 0 314.363 -0.006 20 0 DBADRM Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1-n1cnnn1 ZINC000675998961 544855863 /nfs/dbraw/zinc/85/58/63/544855863.db2.gz XCSHIQMUVOLRLY-GFCCVEGCSA-N -1 0 317.305 -0.104 20 0 DBADRM NS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1C[C@H]1C(=O)[O-])CC2 ZINC000675962864 544854343 /nfs/dbraw/zinc/85/43/43/544854343.db2.gz BSIAAIYBPRWEFQ-VHSXEESVSA-N -1 0 310.331 -0.056 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)c1[nH]nc(C)c1[O-])CC2 ZINC000676700288 544875498 /nfs/dbraw/zinc/87/54/98/544875498.db2.gz NNCRJCTTXQMORP-MRVPVSSYSA-N -1 0 306.326 -0.094 20 0 DBADRM COCCN(C(=O)c1n[nH]c(C)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000676689134 544876075 /nfs/dbraw/zinc/87/60/75/544876075.db2.gz PLVPLRHYCHIUMP-VIFPVBQESA-N -1 0 317.367 -0.301 20 0 DBADRM Cc1n[nH]c(C(=O)NCCS(=O)(=O)NCC2CCC2)c1[O-] ZINC000676698906 544876312 /nfs/dbraw/zinc/87/63/12/544876312.db2.gz WNYDTSHRRJYOBO-UHFFFAOYSA-N -1 0 316.383 -0.127 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)[nH]1 ZINC000676697669 544876390 /nfs/dbraw/zinc/87/63/90/544876390.db2.gz CESXVJPZPRFVHQ-UHFFFAOYSA-N -1 0 305.342 -0.192 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c1[O-] ZINC000676631041 544873809 /nfs/dbraw/zinc/87/38/09/544873809.db2.gz KNQDGQPXEDWNEN-QMMMGPOBSA-N -1 0 302.356 -0.422 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000677644455 544895358 /nfs/dbraw/zinc/89/53/58/544895358.db2.gz PAMMDUYPAQUJRY-CYBMUJFWSA-N -1 0 318.337 -0.490 20 0 DBADRM COCCOc1ncccc1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000677948718 544902894 /nfs/dbraw/zinc/90/28/94/544902894.db2.gz CMMHOKNAHWPNGX-UHFFFAOYSA-N -1 0 321.293 -0.367 20 0 DBADRM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)[C@@H]1CCNC(=O)C1 ZINC000677203456 544885359 /nfs/dbraw/zinc/88/53/59/544885359.db2.gz MDSRKERJJXCMEB-ZYHUDNBSSA-N -1 0 300.322 -0.069 20 0 DBADRM CN(CCCNC(=O)c1cccc(C(=O)[O-])n1)S(C)(=O)=O ZINC000678991078 544924017 /nfs/dbraw/zinc/92/40/17/544924017.db2.gz RVFXWXWBRGKSIF-UHFFFAOYSA-N -1 0 315.351 -0.209 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000678990622 544924643 /nfs/dbraw/zinc/92/46/43/544924643.db2.gz JTXQSLQUPWJOCB-LBPRGKRZSA-N -1 0 307.368 -0.193 20 0 DBADRM COC[C@@H](C)C(=O)N1CCO[C@@H](CN(CC(=O)[O-])C(C)=O)C1 ZINC000681943908 544988890 /nfs/dbraw/zinc/98/88/90/544988890.db2.gz PSNNDONSMMEWRW-ZYHUDNBSSA-N -1 0 316.354 -0.571 20 0 DBADRM NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000680837280 544956551 /nfs/dbraw/zinc/95/65/51/544956551.db2.gz GTDOPIQIMBYEEJ-UHFFFAOYSA-N -1 0 309.307 -0.592 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000680940285 544959627 /nfs/dbraw/zinc/95/96/27/544959627.db2.gz QIHXLUSETXWHDH-UHFFFAOYSA-N -1 0 315.289 -0.228 20 0 DBADRM O=C(N[C@H]1CN(c2ccc(F)cc2)C1=O)c1n[nH]c(=O)[n-]c1=O ZINC000681068187 544962256 /nfs/dbraw/zinc/96/22/56/544962256.db2.gz XMPXYPDEKAFMEZ-QMMMGPOBSA-N -1 0 319.252 -0.433 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccc(Cn2cncn2)cc1)C(=O)[O-] ZINC000681129592 544963803 /nfs/dbraw/zinc/96/38/03/544963803.db2.gz MLOQBOBSRSXZNG-CQSZACIVSA-N -1 0 304.306 -0.108 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-] ZINC000681129518 544964345 /nfs/dbraw/zinc/96/43/45/544964345.db2.gz MEOFHCNTFCPSSW-BMIGLBTASA-N -1 0 321.333 -0.618 20 0 DBADRM CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000681129231 544964398 /nfs/dbraw/zinc/96/43/98/544964398.db2.gz KPENJMQQRBZOFQ-SWLSCSKDSA-N -1 0 306.318 -0.084 20 0 DBADRM COc1cc(C)c(NC(=O)C(=O)NCc2nnn[n-]2)cc1F ZINC000681314288 544969486 /nfs/dbraw/zinc/96/94/86/544969486.db2.gz UBQCPCWJYZKGMM-UHFFFAOYSA-N -1 0 308.273 -0.089 20 0 DBADRM CN(C1CC1)S(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000681580993 544975635 /nfs/dbraw/zinc/97/56/35/544975635.db2.gz WGCBRVCUNKNNBH-SNVBAGLBSA-N -1 0 316.383 -0.408 20 0 DBADRM COc1cc(F)c(S(=O)(=O)NC[C@H](O)C(=O)[O-])c(F)c1 ZINC000681573278 544975882 /nfs/dbraw/zinc/97/58/82/544975882.db2.gz REAWZNKVGMTMHJ-QMMMGPOBSA-N -1 0 311.262 -0.303 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cccc2c1OCCO2)C(=O)[O-] ZINC000681580231 544975971 /nfs/dbraw/zinc/97/59/71/544975971.db2.gz FNRBCGKZJUODPM-QMMMGPOBSA-N -1 0 317.319 -0.164 20 0 DBADRM CC(=O)N1CC(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)C1 ZINC000682687497 545003732 /nfs/dbraw/zinc/00/37/32/545003732.db2.gz NBOOHHQFNFZADX-LBPRGKRZSA-N -1 0 300.322 -0.116 20 0 DBADRM CCO[C@H]1C[C@@](O)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1(C)C ZINC000682821581 545005809 /nfs/dbraw/zinc/00/58/09/545005809.db2.gz PRWTUYOTNNEWEM-WPPNPWJKSA-N -1 0 312.326 -0.421 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)C2CC(C(=O)[O-])C2)C1 ZINC000683339760 545009255 /nfs/dbraw/zinc/00/92/55/545009255.db2.gz QBIXIDLUEFPGFY-UDNWOFFPSA-N -1 0 304.368 -0.363 20 0 DBADRM CN(C1CC1)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000683434225 545009874 /nfs/dbraw/zinc/00/98/74/545009874.db2.gz MNVXZNSTXBHSTB-JQWIXIFHSA-N -1 0 304.368 -0.252 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCNC(=O)[C@H]2C)cc1C(=O)[O-] ZINC000110662548 545014099 /nfs/dbraw/zinc/01/40/99/545014099.db2.gz CZQXTMQWBBJVAJ-MRVPVSSYSA-N -1 0 315.351 -0.285 20 0 DBADRM O=C(CNC(=O)Nc1ccccc1)NCCc1nc(=O)o[n-]1 ZINC000684064047 545016657 /nfs/dbraw/zinc/01/66/57/545016657.db2.gz ORFORKBJOVHCET-UHFFFAOYSA-N -1 0 305.294 -0.157 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)NCCc2nc(=O)o[n-]2)cs1 ZINC000684064152 545016679 /nfs/dbraw/zinc/01/66/79/545016679.db2.gz BYILLCSMMDWTHN-UHFFFAOYSA-N -1 0 317.348 -0.200 20 0 DBADRM CN1C[C@@H](C(=O)NCCc2nc(=O)o[n-]2)c2ccccc2C1=O ZINC000684063910 545016823 /nfs/dbraw/zinc/01/68/23/545016823.db2.gz GIKNUWODGQNLBL-LLVKDONJSA-N -1 0 316.317 -0.109 20 0 DBADRM COC[C@@](C)(NC(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000684739529 545023215 /nfs/dbraw/zinc/02/32/15/545023215.db2.gz CPJYSXPHJHYYIW-LLVKDONJSA-N -1 0 322.383 -0.400 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000684740846 545023359 /nfs/dbraw/zinc/02/33/59/545023359.db2.gz LUEPEAVXEWHIHB-LBPRGKRZSA-N -1 0 320.367 -0.646 20 0 DBADRM CN(CCCNC(=O)NC1(C(=O)[O-])CCC1)S(C)(=O)=O ZINC000684720271 545023396 /nfs/dbraw/zinc/02/33/96/545023396.db2.gz ACZUPCLSNCIZDA-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM COc1cncc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC000684896397 545024564 /nfs/dbraw/zinc/02/45/64/545024564.db2.gz VOHGEQQRZZRKCS-SECBINFHSA-N -1 0 316.335 -0.046 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000390320646 545037865 /nfs/dbraw/zinc/03/78/65/545037865.db2.gz IIEWVEPDJOFSAU-NSHDSACASA-N -1 0 307.372 -0.426 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CCCN1C(=O)CN(C)C1=O ZINC000387019345 545038052 /nfs/dbraw/zinc/03/80/52/545038052.db2.gz CNDCEOHVPXNOCL-UHFFFAOYSA-N -1 0 315.326 -0.780 20 0 DBADRM CN1CC(=O)N(CC(=O)NCc2cccc(C(=O)[O-])c2)C1=O ZINC000386956414 545038167 /nfs/dbraw/zinc/03/81/67/545038167.db2.gz UZLMJFPVLHLSCV-UHFFFAOYSA-N -1 0 305.290 -0.105 20 0 DBADRM Cc1cc(S(=O)(=O)NCc2nnn(C)n2)ccc1C(=O)[O-] ZINC000398072062 265722157 /nfs/dbraw/zinc/72/21/57/265722157.db2.gz JMEBDOSQEXUJFW-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cn1 ZINC000420529611 265860142 /nfs/dbraw/zinc/86/01/42/265860142.db2.gz MOCBIEASIVOOJA-MWLCHTKSSA-N -1 0 321.333 -0.115 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)[C@H]1OC ZINC000420566874 265860871 /nfs/dbraw/zinc/86/08/71/265860871.db2.gz URKMTRXIHDYBON-LMLFDSFASA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000420536247 265861564 /nfs/dbraw/zinc/86/15/64/265861564.db2.gz MGNWNFPRHGOHBA-QWRGUYRKSA-N -1 0 308.338 -0.289 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000422663565 265879614 /nfs/dbraw/zinc/87/96/14/265879614.db2.gz QRTODPDHJKBUPX-NSHDSACASA-N -1 0 321.333 -0.997 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CCn2cccn2)C1 ZINC000422816729 265881285 /nfs/dbraw/zinc/88/12/85/265881285.db2.gz BCQFLYMLUOFABL-RYUDHWBXSA-N -1 0 322.365 -0.089 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000422845549 265881998 /nfs/dbraw/zinc/88/19/98/265881998.db2.gz CFDNNSLJKKUAHJ-VIFPVBQESA-N -1 0 300.311 -0.526 20 0 DBADRM CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000422842480 265882663 /nfs/dbraw/zinc/88/26/63/265882663.db2.gz YHQVQHHZZCCHIZ-SDDRHHMPSA-N -1 0 312.366 -0.071 20 0 DBADRM COCCCOC1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000422855008 265882587 /nfs/dbraw/zinc/88/25/87/265882587.db2.gz BRVOSFNWVUSVHB-JTQLQIEISA-N -1 0 314.338 -0.817 20 0 DBADRM CCCCCOCC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424231727 265927202 /nfs/dbraw/zinc/92/72/02/265927202.db2.gz BMZWCNRPCQEGOW-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)n1cccn1 ZINC000424244454 265928466 /nfs/dbraw/zinc/92/84/66/265928466.db2.gz NXTQIFFALSQQCO-IUCAKERBSA-N -1 0 301.324 -0.846 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(F)(F)F ZINC000424245494 265928758 /nfs/dbraw/zinc/92/87/58/265928758.db2.gz PAXSRWFHDUMOHW-PHDIDXHHSA-N -1 0 303.258 -0.105 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CCc2ccco2)CCS1(=O)=O ZINC000424245583 265928789 /nfs/dbraw/zinc/92/87/89/265928789.db2.gz PGUMVFIUCUYBIL-JTQLQIEISA-N -1 0 301.320 -0.078 20 0 DBADRM CCCCCS(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424389349 265932090 /nfs/dbraw/zinc/93/20/90/265932090.db2.gz HYMYTCLYXICKEA-MRVPVSSYSA-N -1 0 318.355 -0.228 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CC[C@@](O)(C2CC2)C1)C(=O)[O-] ZINC000424484269 265935841 /nfs/dbraw/zinc/93/58/41/265935841.db2.gz SZQPJUVGYNAOQX-HNNXBMFYSA-N -1 0 312.366 -0.023 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)NCCn1cncn1)C(=O)[O-] ZINC000424476576 265936520 /nfs/dbraw/zinc/93/65/20/265936520.db2.gz AFHUKZSJQJGQDJ-UHFFFAOYSA-N -1 0 311.342 -0.599 20 0 DBADRM C[C@H]1[C@@H](CO)CCN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424479259 265936622 /nfs/dbraw/zinc/93/66/22/265936622.db2.gz HLEMVPDGKMELLY-VHSXEESVSA-N -1 0 300.355 -0.167 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C2 ZINC000424483429 265936686 /nfs/dbraw/zinc/93/66/86/265936686.db2.gz QJUFUCWOHIOGCJ-UHFFFAOYSA-N -1 0 323.353 -0.454 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCc1cnn(C)c1)C(=O)[O-] ZINC000424517077 265937896 /nfs/dbraw/zinc/93/78/96/265937896.db2.gz KOLHWPSXTRHRDH-LLVKDONJSA-N -1 0 310.354 -0.101 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CC[C@](F)(CO)C1)C(=O)[O-] ZINC000424487084 265938259 /nfs/dbraw/zinc/93/82/59/265938259.db2.gz JKSKDLCFLLNPCG-CYBMUJFWSA-N -1 0 304.318 -0.464 20 0 DBADRM CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000430328773 266002169 /nfs/dbraw/zinc/00/21/69/266002169.db2.gz OSYMZUUNGGYDKW-HTQZYQBOSA-N -1 0 316.387 -0.731 20 0 DBADRM CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000430328775 266002289 /nfs/dbraw/zinc/00/22/89/266002289.db2.gz OSYMZUUNGGYDKW-SFYZADRCSA-N -1 0 316.387 -0.731 20 0 DBADRM Cc1cc(C(=O)NC2(c3nnn[n-]3)CC2)c2c(=O)[nH]n(C)c2n1 ZINC000430313796 266002911 /nfs/dbraw/zinc/00/29/11/266002911.db2.gz HELSPQHRXKZBCN-UHFFFAOYSA-N -1 0 314.309 -0.085 20 0 DBADRM CC(C)(C(N)=O)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000430707781 266011368 /nfs/dbraw/zinc/01/13/68/266011368.db2.gz HIYUXFJVCAZTEW-UHFFFAOYSA-N -1 0 318.381 -0.596 20 0 DBADRM C[C@H]1[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)CCS1(=O)=O ZINC000431642930 266025579 /nfs/dbraw/zinc/02/55/79/266025579.db2.gz JMBYSAHHSFPDEK-WDSKDSINSA-N -1 0 310.319 -0.452 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000432122877 266026980 /nfs/dbraw/zinc/02/69/80/266026980.db2.gz QKMHESJGDUYLAR-DOLQZWNJSA-N -1 0 304.368 -0.316 20 0 DBADRM COC(=O)c1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)o1 ZINC000433239275 266040179 /nfs/dbraw/zinc/04/01/79/266040179.db2.gz JSBAEIQREZIKNT-UHFFFAOYSA-N -1 0 314.279 -0.160 20 0 DBADRM CC(C)CC(=O)NCCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000439151753 266087998 /nfs/dbraw/zinc/08/79/98/266087998.db2.gz KZYGJXYPKJADTJ-UHFFFAOYSA-N -1 0 317.371 -0.301 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000439193783 266089739 /nfs/dbraw/zinc/08/97/39/266089739.db2.gz TWTRTNBRXBKVGT-UHFFFAOYSA-N -1 0 307.328 -0.832 20 0 DBADRM CCn1cnc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)c1 ZINC000439573756 266093098 /nfs/dbraw/zinc/09/30/98/266093098.db2.gz PZGKGTXTHCQSQS-UHFFFAOYSA-N -1 0 312.355 -0.224 20 0 DBADRM COCCN(CC(=O)OC)S(=O)(=O)[N-]CC(F)(F)F ZINC000442952671 266133893 /nfs/dbraw/zinc/13/38/93/266133893.db2.gz LGZFAYZYFQOSFT-UHFFFAOYSA-N -1 0 308.278 -0.496 20 0 DBADRM COCCN([C@H](C)C(N)=O)S(=O)(=O)[N-]CC(F)(F)F ZINC000442948932 266133526 /nfs/dbraw/zinc/13/35/26/266133526.db2.gz XWFKNFOGPLIDSH-ZCFIWIBFSA-N -1 0 307.294 -0.795 20 0 DBADRM COC[C@](C)(NS(=O)(=O)[N-]CC(F)(F)F)C(=O)OC ZINC000443013958 266133958 /nfs/dbraw/zinc/13/39/58/266133958.db2.gz XXEQBSJBWTXDKT-ZETCQYMHSA-N -1 0 308.278 -0.449 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NC[C@@H](O)COCC1CC1 ZINC000442955989 266133991 /nfs/dbraw/zinc/13/39/91/266133991.db2.gz GSEWMSQVIYKRHD-MRVPVSSYSA-N -1 0 306.306 -0.240 20 0 DBADRM COC[C@@](C)(CC(=O)OC)NS(=O)(=O)[N-]CC(F)(F)F ZINC000443009729 266134253 /nfs/dbraw/zinc/13/42/53/266134253.db2.gz ZSEAEKPKBQVKDU-MRVPVSSYSA-N -1 0 322.305 -0.059 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NC[C@@H]1CCCS1(=O)=O ZINC000443030941 266135047 /nfs/dbraw/zinc/13/50/47/266135047.db2.gz VTWAPZRVMVGKCY-LURJTMIESA-N -1 0 310.319 -0.450 20 0 DBADRM CNC(=O)N[C@H]1CCN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000443050807 266135084 /nfs/dbraw/zinc/13/50/84/266135084.db2.gz QPKYMRRQKVIEGT-LURJTMIESA-N -1 0 304.294 -0.614 20 0 DBADRM O=C1C[C@H](CNS(=O)(=O)[N-]CC(F)(F)F)CN1C1CC1 ZINC000443050091 266135438 /nfs/dbraw/zinc/13/54/38/266135438.db2.gz OHPFEACIWWALSB-SSDOTTSWSA-N -1 0 315.317 -0.016 20 0 DBADRM CCN(CCO)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000443118113 266136993 /nfs/dbraw/zinc/13/69/93/266136993.db2.gz OOIBKTPMGUNPFT-UHFFFAOYSA-N -1 0 314.323 -0.561 20 0 DBADRM CCOC1CC(O)(CNS(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000443206853 266137978 /nfs/dbraw/zinc/13/79/78/266137978.db2.gz XWYWPSNDBJZQTQ-UHFFFAOYSA-N -1 0 306.306 -0.097 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](C)OC)c1ccn(C)n1 ZINC000443216498 266138222 /nfs/dbraw/zinc/13/82/22/266138222.db2.gz UFQRRXXLOAUCFT-WCBMZHEXSA-N -1 0 305.356 -0.412 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](C)OC)c1ccn(C)n1 ZINC000443216495 266138662 /nfs/dbraw/zinc/13/86/62/266138662.db2.gz UFQRRXXLOAUCFT-PSASIEDQSA-N -1 0 305.356 -0.412 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NC[C@H](CO)[C@@H]1CCOC1 ZINC000443222610 266139088 /nfs/dbraw/zinc/13/90/88/266139088.db2.gz LIIDKAOCAPGQTK-HTQZYQBOSA-N -1 0 306.306 -0.382 20 0 DBADRM CCOCCOC[C@@H](O)CNS(=O)(=O)[N-]CC(F)(F)F ZINC000443199201 266139227 /nfs/dbraw/zinc/13/92/27/266139227.db2.gz OTOPSDSIGUAFSA-QMMMGPOBSA-N -1 0 324.321 -0.613 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000450525492 266144794 /nfs/dbraw/zinc/14/47/94/266144794.db2.gz RLBOILXWQNMROQ-IQJOONFLSA-N -1 0 304.368 -0.411 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)[N-][C@]1(C(=O)OC)CCOC1 ZINC000451298973 266144812 /nfs/dbraw/zinc/14/48/12/266144812.db2.gz XXFYWLHBLZQDAM-ZYHUDNBSSA-N -1 0 309.384 -0.090 20 0 DBADRM CCC[C@@](C)(NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000492121179 266152981 /nfs/dbraw/zinc/15/29/81/266152981.db2.gz WJFVYBPAGNPYOX-IDTUSYRASA-N -1 0 323.349 -0.143 20 0 DBADRM Cn1cc(/C=C\C(=O)NCCCCC(=O)[O-])c(=O)n(C)c1=O ZINC000492134924 266153641 /nfs/dbraw/zinc/15/36/41/266153641.db2.gz DWBVIXPFDSKCIJ-SREVYHEPSA-N -1 0 309.322 -0.532 20 0 DBADRM Cn1cc(/C=C/C(=O)N2CCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000492320795 266157973 /nfs/dbraw/zinc/15/79/73/266157973.db2.gz PDHXICNUOZZKSN-BRAIEQGRSA-N -1 0 307.306 -0.827 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C\c1cnccn1)[C@@H](C)C(=O)[O-] ZINC000492405792 266160159 /nfs/dbraw/zinc/16/01/59/266160159.db2.gz DPNVDZJOOJFFGD-XOULXFPDSA-N -1 0 306.322 -0.072 20 0 DBADRM C[C@@](O)(CNC(=O)CCNC(=O)/C=C/c1ccco1)C(=O)[O-] ZINC000492625178 266162474 /nfs/dbraw/zinc/16/24/74/266162474.db2.gz VKGZSMPZEVMZKT-ISZGNANSSA-N -1 0 310.306 -0.249 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)/C=C/c1cnc(OC)nc1 ZINC000492649250 266162920 /nfs/dbraw/zinc/16/29/20/266162920.db2.gz PISXJOHXRNPUKI-AATRIKPKSA-N -1 0 300.340 -0.189 20 0 DBADRM Cc1cncc(/C=C\C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000492902138 266166655 /nfs/dbraw/zinc/16/66/55/266166655.db2.gz RSQFHVSRHDGJMM-ARJAWSKDSA-N -1 0 311.363 -0.015 20 0 DBADRM CCn1ccnc1/C=C\C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000492857929 266167702 /nfs/dbraw/zinc/16/77/02/266167702.db2.gz KUIYNROPDUIMLD-PLNGDYQASA-N -1 0 314.367 -0.502 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1cnn(CC)c1 ZINC000492967797 266168819 /nfs/dbraw/zinc/16/88/19/266168819.db2.gz CBXAKHRNUWDAIM-UHFFFAOYSA-N -1 0 318.355 -0.156 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCCNC(=O)OC)cn1 ZINC000492968450 266168910 /nfs/dbraw/zinc/16/89/10/266168910.db2.gz LYJCRLWSNKRGII-UHFFFAOYSA-N -1 0 318.355 -0.156 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)/C=C\c1ccnn1C ZINC000493189901 266171202 /nfs/dbraw/zinc/17/12/02/266171202.db2.gz NYEYHSLRXSELJZ-PLNGDYQASA-N -1 0 309.351 -0.020 20 0 DBADRM O=C(C=Cc1ccco1)NCCC(=O)NCCc1nc(=O)o[n-]1 ZINC000493194155 266172138 /nfs/dbraw/zinc/17/21/38/266172138.db2.gz GIKCSAQXVJSIME-ONEGZZNKSA-N -1 0 320.305 -0.166 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)C=Cc1cscn1 ZINC000493402631 266174818 /nfs/dbraw/zinc/17/48/18/266174818.db2.gz QLODQOFNUVWGHC-CMLYIYFCSA-N -1 0 321.318 -0.051 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000493376737 266174873 /nfs/dbraw/zinc/17/48/73/266174873.db2.gz NSQXSSFTRBAEFX-UHFFFAOYSA-N -1 0 302.312 -0.582 20 0 DBADRM CNC(=O)c1ccc(/C=C/C(=O)[N-]S(=O)(=O)C2COC2)cc1 ZINC000493387919 266175139 /nfs/dbraw/zinc/17/51/39/266175139.db2.gz PUHQCAUFAUABSM-QPJJXVBHSA-N -1 0 324.358 -0.096 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000493461928 266176557 /nfs/dbraw/zinc/17/65/57/266176557.db2.gz YCDSNFZHTJGISB-DLGQBQFBSA-N -1 0 319.317 -0.234 20 0 DBADRM C/C=C\C[C@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000493436567 266176768 /nfs/dbraw/zinc/17/67/68/266176768.db2.gz UGGPCGXCGYVISL-LHOXHEHBSA-N -1 0 321.333 -0.367 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C/c1ccc(O)cc1 ZINC000493514600 266177395 /nfs/dbraw/zinc/17/73/95/266177395.db2.gz BUNZKJWCHLJZLU-QPJJXVBHSA-N -1 0 312.347 -0.013 20 0 DBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cnccn1)C(C)C ZINC000493630612 266179448 /nfs/dbraw/zinc/17/94/48/266179448.db2.gz MTIMEMPMBRYGGL-VIFPVBQESA-N -1 0 316.339 -0.338 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)/C=C/c2cscn2)CCS1(=O)=O ZINC000493656372 266179476 /nfs/dbraw/zinc/17/94/76/266179476.db2.gz HKLDMKNNZQSYCH-GPYPMJJRSA-N -1 0 316.360 -0.134 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)/C=C/c1cnc2ccccc2n1 ZINC000493868178 266183590 /nfs/dbraw/zinc/18/35/90/266183590.db2.gz IMBOQXNVOKIXLX-AATRIKPKSA-N -1 0 320.330 -0.426 20 0 DBADRM COCc1ccccc1S(=O)(=O)[N-]C(=O)CNC(=O)OC ZINC000495274741 266202667 /nfs/dbraw/zinc/20/26/67/266202667.db2.gz BIFNGCCGCYTGMN-UHFFFAOYSA-N -1 0 316.335 -0.006 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000495223144 266202726 /nfs/dbraw/zinc/20/27/26/266202726.db2.gz SCLHZHYPTJRFPB-VIFPVBQESA-N -1 0 308.356 -0.252 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000495207156 266203174 /nfs/dbraw/zinc/20/31/74/266203174.db2.gz LMOATEYWQCKWLK-VIFPVBQESA-N -1 0 308.356 -0.252 20 0 DBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ccnn1C)C(C)C ZINC000495325876 266204804 /nfs/dbraw/zinc/20/48/04/266204804.db2.gz BXDZICHIOSPIAO-VIFPVBQESA-N -1 0 318.355 -0.394 20 0 DBADRM C[C@@H](CO[N-]C(=O)CN1CN=NC1=O)NC(=O)OC(C)(C)C ZINC000495508163 266206769 /nfs/dbraw/zinc/20/67/69/266206769.db2.gz GSXYAXXWZYSFGJ-QMMMGPOBSA-N -1 0 315.330 -0.055 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)NCCCC(=O)[O-])CC1 ZINC000495488777 266207050 /nfs/dbraw/zinc/20/70/50/266207050.db2.gz YCVXLLFEOQKCJO-UHFFFAOYSA-N -1 0 323.371 -0.540 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000495508238 266207354 /nfs/dbraw/zinc/20/73/54/266207354.db2.gz HECLYWOOYKPKQG-UHFFFAOYSA-N -1 0 316.339 -0.546 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)[N-]OCC(N)=O)O1 ZINC000495582500 266208901 /nfs/dbraw/zinc/20/89/01/266208901.db2.gz BUWJCOLHCBMBSF-BDAKNGLRSA-N -1 0 317.342 -0.408 20 0 DBADRM CC(C)(C)OC(=O)NCCNC(=O)C(=O)[N-]O[C@@H]1CCOC1 ZINC000495665685 266213663 /nfs/dbraw/zinc/21/36/63/266213663.db2.gz WIZHMXJWFQGOEO-SECBINFHSA-N -1 0 317.342 -0.536 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000495693160 266213815 /nfs/dbraw/zinc/21/38/15/266213815.db2.gz YUUTZGDYCJFSGD-SNVBAGLBSA-N -1 0 322.383 -0.005 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000495736656 266217117 /nfs/dbraw/zinc/21/71/17/266217117.db2.gz ATWXYXKHGLMQLJ-QMMMGPOBSA-N -1 0 301.324 -0.228 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000496272317 266231483 /nfs/dbraw/zinc/23/14/83/266231483.db2.gz HDGVNBZVJUYVJT-ZETCQYMHSA-N -1 0 317.323 -0.360 20 0 DBADRM O=C([O-])CN(C(=O)CCN1CCOC1=O)C1CCOCC1 ZINC000496485532 266237221 /nfs/dbraw/zinc/23/72/21/266237221.db2.gz HFSMXZZPXZKYLR-UHFFFAOYSA-N -1 0 300.311 -0.079 20 0 DBADRM CC(C)COC(=O)N1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000496747922 266244767 /nfs/dbraw/zinc/24/47/67/266244767.db2.gz HYCAAFCMIHQNEV-UHFFFAOYSA-N -1 0 301.343 -0.403 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)[N-]OCCCO ZINC000496902187 266250169 /nfs/dbraw/zinc/25/01/69/266250169.db2.gz MEUWTFCFCKKIMW-NXEZZACHSA-N -1 0 304.343 -0.213 20 0 DBADRM COc1cccc(OC)c1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000514614415 266261198 /nfs/dbraw/zinc/26/11/98/266261198.db2.gz GJLPLUVLVZUKKA-SSDOTTSWSA-N -1 0 305.308 -0.572 20 0 DBADRM O=C(CN1CCCNC1=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000514863654 266265777 /nfs/dbraw/zinc/26/57/77/266265777.db2.gz UXTRLGJSKHPHSF-SECBINFHSA-N -1 0 308.342 -0.368 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCCOC1 ZINC000514989206 266267186 /nfs/dbraw/zinc/26/71/86/266267186.db2.gz QSXAJETZGLBRMG-NRUUGDAUSA-N -1 0 310.350 -0.007 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)NCCCC(=O)[O-])C2=O)n(C)n1 ZINC000515379876 266272010 /nfs/dbraw/zinc/27/20/10/266272010.db2.gz YWPZHCCUUNOPEE-JTQLQIEISA-N -1 0 323.353 -0.002 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)C1 ZINC000515467550 266272071 /nfs/dbraw/zinc/27/20/71/266272071.db2.gz COUBQJQEXMANCX-WPRPVWTQSA-N -1 0 302.356 -0.278 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000515752955 266274923 /nfs/dbraw/zinc/27/49/23/266274923.db2.gz WJLYYTOAADHRBA-SECBINFHSA-N -1 0 321.399 -0.228 20 0 DBADRM O=C([O-])CC1(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000516185827 266278964 /nfs/dbraw/zinc/27/89/64/266278964.db2.gz NZLWYBBOCHOVTA-UHFFFAOYSA-N -1 0 323.334 -0.052 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000516563612 266282195 /nfs/dbraw/zinc/28/21/95/266282195.db2.gz MLDKMSNJTLUWKS-NXEZZACHSA-N -1 0 317.367 -0.113 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000516922571 266286228 /nfs/dbraw/zinc/28/62/28/266286228.db2.gz IGRXJQOSSQIJFX-NSHDSACASA-N -1 0 310.372 -0.768 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NCCCO[C@@H]1CCOC1 ZINC000517134646 266289614 /nfs/dbraw/zinc/28/96/14/266289614.db2.gz QZNFSBBPDDAJPX-GHMZBOCLSA-N -1 0 322.383 -0.435 20 0 DBADRM COCCN1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1=O ZINC000517144647 266289625 /nfs/dbraw/zinc/28/96/25/266289625.db2.gz NPUSUCGEDAGFKV-UHFFFAOYSA-N -1 0 308.294 -0.894 20 0 DBADRM COCCN(C)S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F ZINC000517620007 266295147 /nfs/dbraw/zinc/29/51/47/266295147.db2.gz GMOBKGASFKEBPX-SSDOTTSWSA-N -1 0 304.315 -0.245 20 0 DBADRM CCNC(=O)c1cccc(NC(=O)CN2CC(=O)NC2=O)c1 ZINC000517635336 266295243 /nfs/dbraw/zinc/29/52/43/266295243.db2.gz FKCFVWCOFHJKNO-UHFFFAOYSA-N -1 0 304.306 -0.073 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000518184747 266300323 /nfs/dbraw/zinc/30/03/23/266300323.db2.gz DNTHOSNGTAVSDB-NXEZZACHSA-N -1 0 321.399 -0.625 20 0 DBADRM CCn1c(NC(=O)CN2CC(=O)NC2=O)nc2cccnc21 ZINC000518505638 266301231 /nfs/dbraw/zinc/30/12/31/266301231.db2.gz WFPSOKZXISAWEF-UHFFFAOYSA-N -1 0 302.294 -0.059 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)NCCCC(=O)[O-])C2 ZINC000518529646 266302071 /nfs/dbraw/zinc/30/20/71/266302071.db2.gz QGELSNCMVHCTTF-UHFFFAOYSA-N -1 0 311.342 -0.143 20 0 DBADRM CC(C)CO[C@@H](C)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000518755728 266303782 /nfs/dbraw/zinc/30/37/82/266303782.db2.gz OAVXJNJQRVKKNO-VHSXEESVSA-N -1 0 307.368 -0.242 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c[nH]1 ZINC000519698978 266313410 /nfs/dbraw/zinc/31/34/10/266313410.db2.gz LUYXMEPAVXXBJN-LJGSYFOKSA-N -1 0 302.308 -0.057 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccnn2C)C1 ZINC000519759441 266315342 /nfs/dbraw/zinc/31/53/42/266315342.db2.gz JQAXNSHGSBRGLB-LBPRGKRZSA-N -1 0 317.367 -0.078 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCO[C@@H]2C2CC2)C1 ZINC000520212950 266316348 /nfs/dbraw/zinc/31/63/48/266316348.db2.gz OOSYFOQISZQAQX-IJLUTSLNSA-N -1 0 310.350 -0.007 20 0 DBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000520195412 266316560 /nfs/dbraw/zinc/31/65/60/266316560.db2.gz KFABLQHWTSKFGW-QEYWKRMJSA-N -1 0 323.367 -0.528 20 0 DBADRM CN1CC[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000520581917 266319250 /nfs/dbraw/zinc/31/92/50/266319250.db2.gz JBYHYZTXAWHDPL-SNVBAGLBSA-N -1 0 305.290 -0.330 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000521624414 266329801 /nfs/dbraw/zinc/32/98/01/266329801.db2.gz AKIRQWGEGBZDTG-NEPJUHHUSA-N -1 0 311.382 -0.280 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000521624416 266330626 /nfs/dbraw/zinc/33/06/26/266330626.db2.gz AKIRQWGEGBZDTG-RYUDHWBXSA-N -1 0 311.382 -0.280 20 0 DBADRM C[S@](=O)CCCNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC000521997895 266331484 /nfs/dbraw/zinc/33/14/84/266331484.db2.gz ZAWDQHYURHAAKI-SFHVURJKSA-N -1 0 306.365 -0.173 20 0 DBADRM O=C(NC[C@@H]1CS(=O)(=O)CCO1)c1cccc2n[nH]nc21 ZINC000527112304 266353636 /nfs/dbraw/zinc/35/36/36/266353636.db2.gz GSFOMFXSSLRFJO-MRVPVSSYSA-N -1 0 310.335 -0.499 20 0 DBADRM O=C(NCCNC(=O)c1cccc2n[nH]nc21)c1cnccn1 ZINC000527106170 266354059 /nfs/dbraw/zinc/35/40/59/266354059.db2.gz ZNZPHYPGQLQMCF-UHFFFAOYSA-N -1 0 311.305 -0.092 20 0 DBADRM COC1CCN(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CC1 ZINC000527317129 266356118 /nfs/dbraw/zinc/35/61/18/266356118.db2.gz YSSXQYUAZNIJJX-JTQLQIEISA-N -1 0 320.367 -0.599 20 0 DBADRM COc1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])ccc1F ZINC000527300438 266357074 /nfs/dbraw/zinc/35/70/74/266357074.db2.gz CGEVTHOSOFACOY-UHFFFAOYSA-N -1 0 320.298 -0.687 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1COCCO1 ZINC000529032609 266382682 /nfs/dbraw/zinc/38/26/82/266382682.db2.gz WKHIQVKXKNMHDL-CSYMLDBXSA-N -1 0 321.395 -0.093 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000529102427 266383842 /nfs/dbraw/zinc/38/38/42/266383842.db2.gz FKIYRHBTTUUMQW-QMMMGPOBSA-N -1 0 302.356 -0.075 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)CO1 ZINC000529107035 266383962 /nfs/dbraw/zinc/38/39/62/266383962.db2.gz JBTPGDHAQHXZHX-IUCAKERBSA-N -1 0 304.368 -0.474 20 0 DBADRM CC1(c2nc(=NC(=O)c3cnn(C[C@@H](O)CO)c3)s[n-]2)CC1 ZINC000529700455 266393880 /nfs/dbraw/zinc/39/38/80/266393880.db2.gz GJFPDPGJJFSSGQ-SECBINFHSA-N -1 0 323.378 -0.187 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)NCC[C@H]1CCCO1 ZINC000530147756 266404301 /nfs/dbraw/zinc/40/43/01/266404301.db2.gz KNWMLQJBCBRTMA-MRVPVSSYSA-N -1 0 303.340 -0.034 20 0 DBADRM Cn1nc(C(F)(F)F)cc1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000530137387 266404825 /nfs/dbraw/zinc/40/48/25/266404825.db2.gz OYDHYNMSQVBBRF-BYPYZUCNSA-N -1 0 317.245 -0.837 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000530152525 266405608 /nfs/dbraw/zinc/40/56/08/266405608.db2.gz WVFGUDNJMCLSHL-GFCCVEGCSA-N -1 0 317.367 -0.099 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cc(C)no2)C1 ZINC000530151115 266405615 /nfs/dbraw/zinc/40/56/15/266405615.db2.gz HYEOBGYRICXZHP-NSHDSACASA-N -1 0 304.324 -0.012 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c1 ZINC000530150484 266405981 /nfs/dbraw/zinc/40/59/81/266405981.db2.gz MCTLSAHUOWGKIE-BDAKNGLRSA-N -1 0 315.351 -0.165 20 0 DBADRM CC(C)c1nncn1CCNC(=O)c1cnc([O-])n(C)c1=O ZINC000530963689 266418773 /nfs/dbraw/zinc/41/87/73/266418773.db2.gz LOLKCLYWJOLKBK-UHFFFAOYSA-N -1 0 306.326 -0.369 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)[O-])C2CC2)s1 ZINC000531747963 266430518 /nfs/dbraw/zinc/43/05/18/266430518.db2.gz DCPFWPJKBWRPFX-SNVBAGLBSA-N -1 0 318.376 -0.083 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000531745004 266430773 /nfs/dbraw/zinc/43/07/73/266430773.db2.gz UBGZLBJHZGZDTC-QMMMGPOBSA-N -1 0 300.336 -0.144 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000262552353 278096077 /nfs/dbraw/zinc/09/60/77/278096077.db2.gz XLDKGGMREOTLHL-LBPRGKRZSA-N -1 0 321.333 -0.777 20 0 DBADRM CC(=O)NCCN(C(=O)CN1CCCCC1=O)[C@@H](C)C(=O)[O-] ZINC000262269430 278104599 /nfs/dbraw/zinc/10/45/99/278104599.db2.gz UMGAYDIKOIWQMB-JTQLQIEISA-N -1 0 313.354 -0.563 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCN(C(C)=O)C1)[C@H](C)C(=O)[O-] ZINC000357767070 278105934 /nfs/dbraw/zinc/10/59/34/278105934.db2.gz WVERKNQNUSBGMY-BXKDBHETSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@@H](C)C(=O)[O-] ZINC000262149326 278105974 /nfs/dbraw/zinc/10/59/74/278105974.db2.gz AOLMQMGPTAIOLU-GXSJLCMTSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)[C@H]1CCCOC1 ZINC000262466355 278112921 /nfs/dbraw/zinc/11/29/21/278112921.db2.gz TVFNXNLUBCKFCA-ONGXEEELSA-N -1 0 322.383 -0.594 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000262603916 278113733 /nfs/dbraw/zinc/11/37/33/278113733.db2.gz KFWMTBUVDKUPJS-VIFPVBQESA-N -1 0 313.354 -0.517 20 0 DBADRM CC(C)(CCNC(=O)N1CCC[C@](O)(C(N)=O)C1)C(=O)[O-] ZINC000261777766 278604533 /nfs/dbraw/zinc/60/45/33/278604533.db2.gz WQLVCDNKQKIOLF-CYBMUJFWSA-N -1 0 301.343 -0.491 20 0 DBADRM CC(C)(NC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)[O-] ZINC000263225852 278631448 /nfs/dbraw/zinc/63/14/48/278631448.db2.gz AQWMGVYQMMNZJG-UHFFFAOYSA-N -1 0 304.324 -0.078 20 0 DBADRM CC(C)c1[n-]n(C)c(=O)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000270983155 278706846 /nfs/dbraw/zinc/70/68/46/278706846.db2.gz DYCGLYJYBHKIEL-RKDXNWHRSA-N -1 0 301.368 -0.610 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCNC(=O)[C@@H]1C)C(=O)[O-] ZINC000424497595 279144859 /nfs/dbraw/zinc/14/48/59/279144859.db2.gz VHUJDQYQOJKUAK-VHSXEESVSA-N -1 0 313.354 -0.804 20 0 DBADRM CC(C)C[C@H](CNC(=O)N1CCC[C@@](O)(C(N)=O)C1)C(=O)[O-] ZINC000262558823 279150272 /nfs/dbraw/zinc/15/02/72/279150272.db2.gz UTVQVSKQCJTVAV-YGRLFVJLSA-N -1 0 315.370 -0.245 20 0 DBADRM CC(C)[C@@H](C(=O)N(C)[C@H](C)C(=O)[O-])N1CCCS1(=O)=O ZINC000263559891 279756085 /nfs/dbraw/zinc/75/60/85/279756085.db2.gz BFOZHBAXLIDHBM-ZJUUUORDSA-N -1 0 306.384 -0.022 20 0 DBADRM CC(C)[C@H](C(=O)N(C)CCC(=O)[O-])N1CCCS1(=O)=O ZINC000262086355 280136402 /nfs/dbraw/zinc/13/64/02/280136402.db2.gz KYXLEZVBHUJRFT-LLVKDONJSA-N -1 0 306.384 -0.020 20 0 DBADRM Cc1ccc2ncc(C(=O)NC3(c4nnn[n-]4)CC3)c(=O)n2c1 ZINC000352205809 281165886 /nfs/dbraw/zinc/16/58/86/281165886.db2.gz PCQUXQDJFNLBBT-UHFFFAOYSA-N -1 0 311.305 -0.065 20 0 DBADRM CN(C(=O)c1ccccc1[N-]S(C)(=O)=O)[C@@H]1COC[C@@H]1O ZINC000342397866 288924713 /nfs/dbraw/zinc/92/47/13/288924713.db2.gz HFHKXNIWAMFSBW-NEPJUHHUSA-N -1 0 314.363 -0.110 20 0 DBADRM CN(C)C(=O)N1CCC(C(=O)N2CCOC[C@H]2C(=O)[O-])CC1 ZINC000262317506 288976059 /nfs/dbraw/zinc/97/60/59/288976059.db2.gz QLUYLUISDJDDIS-NSHDSACASA-N -1 0 313.354 -0.308 20 0 DBADRM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000267602297 289022604 /nfs/dbraw/zinc/02/26/04/289022604.db2.gz NBFMHXSKUSGDGQ-VHSXEESVSA-N -1 0 322.365 -0.137 20 0 DBADRM COC[C@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@@H]1CCCO1 ZINC000420558284 293119435 /nfs/dbraw/zinc/11/94/35/293119435.db2.gz KVJCRXGEQDVVJT-DCAQKATOSA-N -1 0 316.354 -0.524 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CN1CCCS1(=O)=O ZINC000262126163 293241687 /nfs/dbraw/zinc/24/16/87/293241687.db2.gz PYSDUBGEMZGWSR-NSHDSACASA-N -1 0 308.356 -0.982 20 0 DBADRM CO[C@@H](CNC(=O)[C@@H]1CSCN1C(=O)C1CCC1)C(=O)[O-] ZINC000427772613 293540483 /nfs/dbraw/zinc/54/04/83/293540483.db2.gz VZCRFQVGHDZYOQ-UWVGGRQHSA-N -1 0 316.379 -0.096 20 0 DBADRM CO[C@@H](CNC(=O)[C@H]1CSCN1C(=O)C1CCC1)C(=O)[O-] ZINC000427772652 293541830 /nfs/dbraw/zinc/54/18/30/293541830.db2.gz VZCRFQVGHDZYOQ-ZJUUUORDSA-N -1 0 316.379 -0.096 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000088376647 297051791 /nfs/dbraw/zinc/05/17/91/297051791.db2.gz DFFFCJIRESEUTD-OPRDCNLKSA-N -1 0 308.356 -0.874 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])C[C@@H](C)O1 ZINC000129487432 297052313 /nfs/dbraw/zinc/05/23/13/297052313.db2.gz ITNMTVRSMABJMS-MXWKQRLJSA-N -1 0 322.383 -0.484 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C[C@H]1C(=O)[O-] ZINC000261663800 297055477 /nfs/dbraw/zinc/05/54/77/297055477.db2.gz HCPCPZSHGJZRIC-GWOFURMSSA-N -1 0 306.384 -0.007 20 0 DBADRM CO[C@H](CNC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)[O-] ZINC000263065880 294431119 /nfs/dbraw/zinc/43/11/19/294431119.db2.gz IONRXGPBZDQIJS-WDEREUQCSA-N -1 0 308.290 -0.008 20 0 DBADRM CO[C@H](CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC000263073623 294450812 /nfs/dbraw/zinc/45/08/12/294450812.db2.gz KEWPFCXILMVJKU-SFYZADRCSA-N -1 0 310.372 -0.834 20 0 DBADRM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CC2(CS(C)(=O)=O)CC2)C1 ZINC000262221378 294649705 /nfs/dbraw/zinc/64/97/05/294649705.db2.gz ZWOVEZVYRHQYLZ-VHSXEESVSA-N -1 0 319.379 -0.098 20 0 DBADRM COc1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(O)c1 ZINC000278689162 295095697 /nfs/dbraw/zinc/09/56/97/295095697.db2.gz RBUIYICQFLBUOB-UHFFFAOYSA-N -1 0 316.335 -0.404 20 0 DBADRM COc1ccccc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000036967660 295379024 /nfs/dbraw/zinc/37/90/24/295379024.db2.gz BTOOQHDSOQEVSC-RKDXNWHRSA-N -1 0 301.320 -0.096 20 0 DBADRM C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])O1 ZINC000333545374 297372296 /nfs/dbraw/zinc/37/22/96/297372296.db2.gz IOCIPHHGUDTZOQ-WHQQTDPMSA-N -1 0 310.310 -0.407 20 0 DBADRM C[C@H](C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC000262453623 298107900 /nfs/dbraw/zinc/10/79/00/298107900.db2.gz UXLIZRPRQFMNNL-VDDIYKPWSA-N -1 0 305.352 -0.631 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000262212221 298209320 /nfs/dbraw/zinc/20/93/20/298209320.db2.gz UHODVXIYEPXYLY-BDAKNGLRSA-N -1 0 307.368 -0.100 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000262977213 298310661 /nfs/dbraw/zinc/31/06/61/298310661.db2.gz MLALVRBTGXLFSC-MRVPVSSYSA-N -1 0 313.335 -0.537 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCN1S(C)(=O)=O ZINC000261981710 300168547 /nfs/dbraw/zinc/16/85/47/300168547.db2.gz CBYAJDVMIOIKNU-IVZWLZJFSA-N -1 0 304.368 -0.411 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H]2C(=O)[O-])C1=O ZINC000262703992 300791038 /nfs/dbraw/zinc/79/10/38/300791038.db2.gz LWKCLJHZCJGMHD-LKFCYVNXSA-N -1 0 309.322 -0.218 20 0 DBADRM Cc1[nH]nc([N-]S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)c1C(N)=O ZINC000340986641 300901113 /nfs/dbraw/zinc/90/11/13/300901113.db2.gz VGRABJYYJUOMGE-RNFRBKRXSA-N -1 0 317.371 -0.417 20 0 DBADRM Cc1cc(C(=O)N2CCNC(=O)[C@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266138361 301101047 /nfs/dbraw/zinc/10/10/47/301101047.db2.gz LLFFNGONHQBVDW-SSDOTTSWSA-N -1 0 317.305 -0.295 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCN(C)C2=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266924822 301139556 /nfs/dbraw/zinc/13/95/56/301139556.db2.gz XCVRNDRBDAYFID-SSDOTTSWSA-N -1 0 317.305 -0.295 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000131796761 302748858 /nfs/dbraw/zinc/74/88/58/302748858.db2.gz OMHRNHSSXKGPMZ-UHFFFAOYSA-N -1 0 317.367 -0.051 20 0 DBADRM Cc1oc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1S(N)(=O)=O ZINC000262549240 302868344 /nfs/dbraw/zinc/86/83/44/302868344.db2.gz WRMGMUBIBOGYPQ-SSDOTTSWSA-N -1 0 318.307 -0.839 20 0 DBADRM Cc1oc(C(=O)NC2(C(=O)[O-])CCC2)cc1S(N)(=O)=O ZINC000263121937 302868552 /nfs/dbraw/zinc/86/85/52/302868552.db2.gz DREDCVKIJQJNRT-UHFFFAOYSA-N -1 0 302.308 -0.027 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2CCSC[C@@H]2CC(=O)[O-])c1=O ZINC000262534812 302897734 /nfs/dbraw/zinc/89/77/34/302897734.db2.gz QBIBSANTRPHGEB-ZETCQYMHSA-N -1 0 313.335 -0.482 20 0 DBADRM Cn1cc(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000262272581 302907832 /nfs/dbraw/zinc/90/78/32/302907832.db2.gz UCMPQTXJZGOYSD-RMLUDKJBSA-N -1 0 307.306 -0.187 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])nc1Cl ZINC000275070597 302920116 /nfs/dbraw/zinc/92/01/16/302920116.db2.gz LGBUXLQMYGBXJG-RXMQYKEDSA-N -1 0 324.746 -0.930 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-] ZINC000019803182 303247314 /nfs/dbraw/zinc/24/73/14/303247314.db2.gz JOAFHKYKWCELHA-SNVBAGLBSA-N -1 0 300.336 -0.175 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000088376550 303345422 /nfs/dbraw/zinc/34/54/22/303345422.db2.gz PFQPHLNQTFXAPS-SNVBAGLBSA-N -1 0 314.319 -0.740 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000274935467 303638855 /nfs/dbraw/zinc/63/88/55/303638855.db2.gz CRDXWSMRVRPKIN-JGVFFNPUSA-N -1 0 311.367 -0.540 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC000570746725 332809928 /nfs/dbraw/zinc/80/99/28/332809928.db2.gz RHQZVLKYZKBGIS-IQJOONFLSA-N -1 0 311.338 -0.909 20 0 DBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000570798853 332817314 /nfs/dbraw/zinc/81/73/14/332817314.db2.gz DVDGMDXCCOOJGG-GARJFASQSA-N -1 0 307.368 -0.083 20 0 DBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000570798855 332817508 /nfs/dbraw/zinc/81/75/08/332817508.db2.gz DVDGMDXCCOOJGG-HBNTYKKESA-N -1 0 307.368 -0.083 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C1(C(=O)[O-])CC1 ZINC000583937274 331475782 /nfs/dbraw/zinc/47/57/82/331475782.db2.gz HFHSHDKKJAGHPT-VIFPVBQESA-N -1 0 314.338 -0.329 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000583997570 331539295 /nfs/dbraw/zinc/53/92/95/331539295.db2.gz MAGSTFFLGAPXGX-IONNQARKSA-N -1 0 308.381 -0.253 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)[C@H]1CCO[C@H]1C)C(=O)[O-] ZINC000584116965 331834443 /nfs/dbraw/zinc/83/44/43/331834443.db2.gz QIABBUHCPTVHLC-GUBZILKMSA-N -1 0 323.367 -0.120 20 0 DBADRM CC1(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)CC1 ZINC000573254924 331955369 /nfs/dbraw/zinc/95/53/69/331955369.db2.gz CYFZPIDRKADNAB-VHSXEESVSA-N -1 0 316.379 -0.124 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CCO1 ZINC000569462813 332095209 /nfs/dbraw/zinc/09/52/09/332095209.db2.gz GWOCTDJFCZLZNO-SECBINFHSA-N -1 0 318.351 -0.241 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-] ZINC000569598863 332192022 /nfs/dbraw/zinc/19/20/22/332192022.db2.gz CPPRGJJCXHWHIT-LLVKDONJSA-N -1 0 304.324 -0.142 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000569605006 332198509 /nfs/dbraw/zinc/19/85/09/332198509.db2.gz DTNLGDZSWUTCRS-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](CC(=O)[O-])C1 ZINC000577458720 332281339 /nfs/dbraw/zinc/28/13/39/332281339.db2.gz ACQGEDVHFLFCOV-SECBINFHSA-N -1 0 313.397 -0.453 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC000582126707 332369816 /nfs/dbraw/zinc/36/98/16/332369816.db2.gz PNKOROPYEQHDMK-VIFPVBQESA-N -1 0 313.335 -0.457 20 0 DBADRM COC[C@](C)([N-]S(=O)(=O)C[C@H](OC)C1CC1)C(=O)OC ZINC000583378618 332373557 /nfs/dbraw/zinc/37/35/57/332373557.db2.gz BJHRAYZACNEFRG-JQWIXIFHSA-N -1 0 309.384 -0.091 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCCn2cccn2)C[C@H]1C(=O)[O-] ZINC000583440880 332411800 /nfs/dbraw/zinc/41/18/00/332411800.db2.gz BQIVHKOGFWGASX-NWDGAFQWSA-N -1 0 322.365 -0.041 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCCn2cccn2)C[C@@H]1C(=O)[O-] ZINC000583440879 332411888 /nfs/dbraw/zinc/41/18/88/332411888.db2.gz BQIVHKOGFWGASX-NEPJUHHUSA-N -1 0 322.365 -0.041 20 0 DBADRM CN(C)c1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cn1 ZINC000569694167 332661754 /nfs/dbraw/zinc/66/17/54/332661754.db2.gz MNQFIHQTCFETCA-UHFFFAOYSA-N -1 0 308.338 -0.255 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ncccc2c1)C(=O)[O-] ZINC000570107171 332712992 /nfs/dbraw/zinc/71/29/92/332712992.db2.gz OTIPAGCMDCIHAJ-LLVKDONJSA-N -1 0 323.330 -0.158 20 0 DBADRM CCn1cc(S(=O)(=O)NCCc2nc(=O)o[n-]2)nc1C ZINC000570205565 332725172 /nfs/dbraw/zinc/72/51/72/332725172.db2.gz IVFMVXGMIKUAJN-UHFFFAOYSA-N -1 0 301.328 -0.591 20 0 DBADRM CO[C@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000570448631 332756925 /nfs/dbraw/zinc/75/69/25/332756925.db2.gz NBVCWLIGLXXXLO-ZJUUUORDSA-N -1 0 317.367 -0.019 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000584326014 333033382 /nfs/dbraw/zinc/03/33/82/333033382.db2.gz MMFHFHYSSHJDHO-BBBLOLIVSA-N -1 0 323.367 -0.717 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-])c1 ZINC000382006408 333168484 /nfs/dbraw/zinc/16/84/84/333168484.db2.gz JTLWJQPQNMBTOT-SSDOTTSWSA-N -1 0 305.312 -0.802 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)C1 ZINC000580327426 333192561 /nfs/dbraw/zinc/19/25/61/333192561.db2.gz KYTSMBXOUZLZTG-ZJUUUORDSA-N -1 0 306.384 -0.117 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000582060986 333194573 /nfs/dbraw/zinc/19/45/73/333194573.db2.gz RJBCMSQQZPBVQG-LLVKDONJSA-N -1 0 303.340 -0.403 20 0 DBADRM CCc1cc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)on1 ZINC000570959847 333466525 /nfs/dbraw/zinc/46/65/25/333466525.db2.gz MRHONVFQPAZIHL-UHFFFAOYSA-N -1 0 314.323 -0.003 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cn1 ZINC000571320846 333733051 /nfs/dbraw/zinc/73/30/51/333733051.db2.gz POFILPBBZAOMKT-JTQLQIEISA-N -1 0 315.351 -0.378 20 0 DBADRM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)nc1)C(=O)[O-] ZINC000571325335 333740735 /nfs/dbraw/zinc/74/07/35/333740735.db2.gz MPXFKEBJNPWRMW-SECBINFHSA-N -1 0 315.351 -0.075 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c(Cl)cnn1C ZINC000571381530 333780719 /nfs/dbraw/zinc/78/07/19/333780719.db2.gz NFVYEXBGOIWANS-SSDOTTSWSA-N -1 0 311.747 -0.206 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000571614042 333820957 /nfs/dbraw/zinc/82/09/57/333820957.db2.gz GZVPNQDVXYTHLK-ZNSHCXBVSA-N -1 0 324.399 -0.456 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)s1 ZINC000572498215 338458336 /nfs/dbraw/zinc/45/83/36/338458336.db2.gz MDBHHYMFVJWCLT-LJGSYFOKSA-N -1 0 318.376 -0.083 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)NCCSCC(=O)[O-])C[C@@H](C)O1 ZINC000389497039 336396361 /nfs/dbraw/zinc/39/63/61/336396361.db2.gz ZNXSKSCWCKYWHX-RKDXNWHRSA-N -1 0 312.413 -0.252 20 0 DBADRM CC(C)(C)c1cc(NC[C@H](O)Cn2ccnn2)nc(C(=O)[O-])n1 ZINC000582549412 337103757 /nfs/dbraw/zinc/10/37/57/337103757.db2.gz ZYXKJSHHNQFULC-VIFPVBQESA-N -1 0 320.353 -0.041 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC[C@@](COC)(C(=O)[O-])C1 ZINC000582720836 337125034 /nfs/dbraw/zinc/12/50/34/337125034.db2.gz JCLDYBCKNRBRBS-GFCCVEGCSA-N -1 0 324.399 -0.377 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC[C@](COC)(C(=O)[O-])C1 ZINC000582720837 337125044 /nfs/dbraw/zinc/12/50/44/337125044.db2.gz JCLDYBCKNRBRBS-LBPRGKRZSA-N -1 0 324.399 -0.377 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)s1 ZINC000582908506 337216328 /nfs/dbraw/zinc/21/63/28/337216328.db2.gz UFEOLGZNWQXWMU-MHTLYPKNSA-N -1 0 323.352 -0.786 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-] ZINC000582917249 337217761 /nfs/dbraw/zinc/21/77/61/337217761.db2.gz HQUPJZBKRHGDCS-MRVPVSSYSA-N -1 0 303.292 -0.207 20 0 DBADRM CNS(=O)(=O)c1ccc2c(c1)N(C[C@](C)(O)C(=O)[O-])CC2 ZINC000582971185 337224611 /nfs/dbraw/zinc/22/46/11/337224611.db2.gz USVVLAVDUJPBGU-ZDUSSCGKSA-N -1 0 314.363 -0.207 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H](n3ccnn3)C2)nn1 ZINC000583080619 337236961 /nfs/dbraw/zinc/23/69/61/337236961.db2.gz CYMVUCZUFOVBBK-VIFPVBQESA-N -1 0 305.298 -0.569 20 0 DBADRM O=C([O-])C(=O)N1CCN(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000396688309 337241964 /nfs/dbraw/zinc/24/19/64/337241964.db2.gz SBIOPVDSBGGJQK-UHFFFAOYSA-N -1 0 323.324 -0.329 20 0 DBADRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)NCc1nnn(C)n1 ZINC000398162025 337307731 /nfs/dbraw/zinc/30/77/31/337307731.db2.gz WGGONRGSXSTHNX-UHFFFAOYSA-N -1 0 317.352 -0.243 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NC2(CC(=O)[O-])CC2)cn1C ZINC000398359113 337311025 /nfs/dbraw/zinc/31/10/25/337311025.db2.gz DXVMTLFMEXQIFM-UHFFFAOYSA-N -1 0 315.351 -0.330 20 0 DBADRM COCCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013314261 337311031 /nfs/dbraw/zinc/31/10/31/337311031.db2.gz GELYBUQZZBAACM-UHFFFAOYSA-N -1 0 316.335 -0.574 20 0 DBADRM NC(=O)c1cccc(CCNC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000584409816 337320837 /nfs/dbraw/zinc/32/08/37/337320837.db2.gz AYUOREKICAXVPK-UHFFFAOYSA-N -1 0 321.333 -0.575 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000584421338 337324038 /nfs/dbraw/zinc/32/40/38/337324038.db2.gz MUKJOPFHGGGFMC-HLTSFMKQSA-N -1 0 309.340 -0.917 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000584421339 337324124 /nfs/dbraw/zinc/32/41/24/337324124.db2.gz MUKJOPFHGGGFMC-IWSPIJDZSA-N -1 0 309.340 -0.917 20 0 DBADRM CC[C@@H]1COCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000036325855 337353026 /nfs/dbraw/zinc/35/30/26/337353026.db2.gz JKOOXYHOJJHONR-SECBINFHSA-N -1 0 303.340 -0.233 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)N1CCc2ccccc2C1 ZINC000036968766 337361332 /nfs/dbraw/zinc/36/13/32/337361332.db2.gz NATLBPSURHTVLW-NSHDSACASA-N -1 0 300.336 -0.675 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])C[C@H](C)O1 ZINC000036983492 337361647 /nfs/dbraw/zinc/36/16/47/337361647.db2.gz PUNHSKHEOTXROG-XHNCKOQMSA-N -1 0 310.397 -0.200 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000037251681 337362428 /nfs/dbraw/zinc/36/24/28/337362428.db2.gz UGCXSEFHOKDYON-UHFFFAOYSA-N -1 0 316.335 -0.235 20 0 DBADRM O=C([O-])[C@H](CF)NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000583870020 337362681 /nfs/dbraw/zinc/36/26/81/337362681.db2.gz TXBKQEBNMAWBBQ-LURJTMIESA-N -1 0 301.246 -0.151 20 0 DBADRM CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037464740 337364081 /nfs/dbraw/zinc/36/40/81/337364081.db2.gz CWEWHTHNRGLHQC-SSDOTTSWSA-N -1 0 323.348 -0.215 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000037465350 337364131 /nfs/dbraw/zinc/36/41/31/337364131.db2.gz AJVXRMNORMYXBD-QMMMGPOBSA-N -1 0 308.356 -0.431 20 0 DBADRM CN(C)C(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000037751241 337367717 /nfs/dbraw/zinc/36/77/17/337367717.db2.gz OOJQYSGEFQKMLL-UHFFFAOYSA-N -1 0 303.340 -0.520 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NC[C@@H]2COCCO2)C1 ZINC000038061249 337373847 /nfs/dbraw/zinc/37/38/47/337373847.db2.gz CCBDEKSPRZQRHP-NXEZZACHSA-N -1 0 308.356 -0.967 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)[O-] ZINC000571759299 337575352 /nfs/dbraw/zinc/57/53/52/337575352.db2.gz JFPVUNAMGIMIKZ-ZJUUUORDSA-N -1 0 310.372 -0.627 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])cn1 ZINC000572124762 337591773 /nfs/dbraw/zinc/59/17/73/337591773.db2.gz CXLMBXQLRKVTAF-GFCCVEGCSA-N -1 0 318.351 -0.158 20 0 DBADRM CN(CCn1cccn1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000572153255 337594080 /nfs/dbraw/zinc/59/40/80/337594080.db2.gz LQUSORIMHIJEAA-LLVKDONJSA-N -1 0 316.383 -0.144 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC000572194951 337596130 /nfs/dbraw/zinc/59/61/30/337596130.db2.gz FOFPIURXYKLGDK-UHFFFAOYSA-N -1 0 307.306 -0.291 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC000572297596 337605241 /nfs/dbraw/zinc/60/52/41/337605241.db2.gz GCVWTQMZBYTLBA-ZYHUDNBSSA-N -1 0 322.383 -0.768 20 0 DBADRM CO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C12CCC2 ZINC000572352511 337614561 /nfs/dbraw/zinc/61/45/61/337614561.db2.gz OWKLGPVAWCAEAF-GARJFASQSA-N -1 0 310.350 -0.007 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000566118734 341548199 /nfs/dbraw/zinc/54/81/99/341548199.db2.gz YTIQYDATFGPJBC-SCZZXKLOSA-N -1 0 303.340 -0.422 20 0 DBADRM C[C@@H]1CCN(C(=O)NCC(=O)N2CCOCC2)C[C@@H]1C(=O)[O-] ZINC000566181495 341550111 /nfs/dbraw/zinc/55/01/11/341550111.db2.gz MXJYIIRZPIZJMV-MNOVXSKESA-N -1 0 313.354 -0.403 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C(F)(F)F ZINC000566225092 341551351 /nfs/dbraw/zinc/55/13/51/341551351.db2.gz SGFQLHFXIHVLOH-PHDIDXHHSA-N -1 0 308.216 -0.295 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000566237271 341551508 /nfs/dbraw/zinc/55/15/08/341551508.db2.gz OQUZQVWDIKDUHY-JTQLQIEISA-N -1 0 312.244 -0.507 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCCn2ccnc2)C[C@H]1C(=O)[O-] ZINC000566243274 341551709 /nfs/dbraw/zinc/55/17/09/341551709.db2.gz SGEQSMHPYWOURM-NWDGAFQWSA-N -1 0 322.365 -0.041 20 0 DBADRM O=C([O-])CCC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000567048025 341576641 /nfs/dbraw/zinc/57/66/41/341576641.db2.gz HNHXEDSODGTEHR-JTQLQIEISA-N -1 0 322.383 -0.544 20 0 DBADRM Cn1ccc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)n1 ZINC000567163585 341583626 /nfs/dbraw/zinc/58/36/26/341583626.db2.gz QDMKFSNLDUUBLN-UHFFFAOYSA-N -1 0 312.355 -0.188 20 0 DBADRM Cc1nc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)no1 ZINC000567235295 341590443 /nfs/dbraw/zinc/59/04/43/341590443.db2.gz DIFOJCLOVVFOHI-VXNVDRBHSA-N -1 0 310.310 -0.437 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NCc1cc(C(=O)[O-])co1 ZINC000567239690 341590681 /nfs/dbraw/zinc/59/06/81/341590681.db2.gz YHQABYFMKZIEGZ-SSDOTTSWSA-N -1 0 304.324 -0.126 20 0 DBADRM COC[C@H](C)S(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000567324174 341594853 /nfs/dbraw/zinc/59/48/53/341594853.db2.gz QZVPSUBIFNWZMG-VHSXEESVSA-N -1 0 305.356 -0.401 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cnc(C(=O)[O-])cn2)O1 ZINC000567384944 341600444 /nfs/dbraw/zinc/60/04/44/341600444.db2.gz WGIHPPYQBSAPIL-KCJUWKMLSA-N -1 0 322.321 -0.460 20 0 DBADRM CC(=O)NCCN(C(=O)Cc1cc(C)nn1C)[C@H](C)C(=O)[O-] ZINC000567471595 341608843 /nfs/dbraw/zinc/60/88/43/341608843.db2.gz SHMCQMIHNXTXJU-SNVBAGLBSA-N -1 0 310.354 -0.291 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000567632912 341623034 /nfs/dbraw/zinc/62/30/34/341623034.db2.gz GNFWIFJMXOVVEW-SNVBAGLBSA-N -1 0 303.340 -0.062 20 0 DBADRM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H]1OC ZINC000567794418 341633835 /nfs/dbraw/zinc/63/38/35/341633835.db2.gz XAWUIJGJVUTPLD-IWSPIJDZSA-N -1 0 319.339 -0.421 20 0 DBADRM O=C([O-])C[C@@H]1CN(S(=O)(=O)CCOCC2CC2)CCO1 ZINC000567800490 341634004 /nfs/dbraw/zinc/63/40/04/341634004.db2.gz RJFFPDZFUOWROM-LLVKDONJSA-N -1 0 307.368 -0.082 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000567866286 341637710 /nfs/dbraw/zinc/63/77/10/341637710.db2.gz SFACXTVXAAPTAD-VHSXEESVSA-N -1 0 313.354 -0.850 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCc2cnccn2)C[C@H]1C(=O)[O-] ZINC000567886776 341638601 /nfs/dbraw/zinc/63/86/01/341638601.db2.gz WJVXGVISBCBZFN-ZYHUDNBSSA-N -1 0 320.349 -0.296 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000567887433 341638794 /nfs/dbraw/zinc/63/87/94/341638794.db2.gz KODMBIUOFRPSDO-IJLUTSLNSA-N -1 0 322.365 -0.043 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000567887434 341638825 /nfs/dbraw/zinc/63/88/25/341638825.db2.gz KODMBIUOFRPSDO-QJPTWQEYSA-N -1 0 322.365 -0.043 20 0 DBADRM COC(=O)c1cn(CC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)nn1 ZINC000567989604 341644156 /nfs/dbraw/zinc/64/41/56/341644156.db2.gz LEOQUJVVFCCFLK-LKFCYVNXSA-N -1 0 322.321 -0.222 20 0 DBADRM CN(C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000568173599 341656491 /nfs/dbraw/zinc/65/64/91/341656491.db2.gz LHXNVUUOXHGINU-WDEREUQCSA-N -1 0 302.352 -0.561 20 0 DBADRM CN(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000568173597 341656502 /nfs/dbraw/zinc/65/65/02/341656502.db2.gz LHXNVUUOXHGINU-MNOVXSKESA-N -1 0 302.352 -0.561 20 0 DBADRM Cn1[n-]nnc1=NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000568582395 341675645 /nfs/dbraw/zinc/67/56/45/341675645.db2.gz HEKAGVHFONFAHR-UHFFFAOYSA-N -1 0 302.404 -0.363 20 0 DBADRM COCC1(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])CC1 ZINC000568989033 341687429 /nfs/dbraw/zinc/68/74/29/341687429.db2.gz GERPRZRPQTUHHE-ASCAZGACSA-N -1 0 311.381 -0.987 20 0 DBADRM COC(=O)CCCS(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000165944145 341715220 /nfs/dbraw/zinc/71/52/20/341715220.db2.gz CTAQAVAXGDPHAX-UHFFFAOYSA-N -1 0 323.367 -0.260 20 0 DBADRM CC1(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])CC1 ZINC000573358010 341725958 /nfs/dbraw/zinc/72/59/58/341725958.db2.gz QAANGRTUZFEHOK-LURJTMIESA-N -1 0 302.312 -0.865 20 0 DBADRM COCCOc1ccccc1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000573868287 341741699 /nfs/dbraw/zinc/74/16/99/341741699.db2.gz DMWOLKOXFCZYKR-SECBINFHSA-N -1 0 319.335 -0.564 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])o1 ZINC000574222453 341752424 /nfs/dbraw/zinc/75/24/24/341752424.db2.gz HECORMMSTXXPOK-SSDOTTSWSA-N -1 0 307.280 -0.556 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)[O-] ZINC000168821001 341752499 /nfs/dbraw/zinc/75/24/99/341752499.db2.gz MCGHZQMSUMHDGO-ZJUUUORDSA-N -1 0 322.383 -0.041 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000574683631 341765654 /nfs/dbraw/zinc/76/56/54/341765654.db2.gz YMFURXBJYVDVPI-LLVKDONJSA-N -1 0 300.355 -0.069 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)o1 ZINC000575063447 341774640 /nfs/dbraw/zinc/77/46/40/341774640.db2.gz VUIWFGMBWFDMBQ-IUCAKERBSA-N -1 0 316.335 -0.073 20 0 DBADRM CC(C)NC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000575181219 341783885 /nfs/dbraw/zinc/78/38/85/341783885.db2.gz VLWHSVMTPLUKEG-UHFFFAOYSA-N -1 0 307.306 -0.036 20 0 DBADRM COc1cc(C[C@@H](CO)CN=c2nn[n-]n2C)cc(OC)c1 ZINC000575633286 341800800 /nfs/dbraw/zinc/80/08/00/341800800.db2.gz CVXMOKATWZWWAH-LLVKDONJSA-N -1 0 307.354 -0.088 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000575923313 341814896 /nfs/dbraw/zinc/81/48/96/341814896.db2.gz CYDWVHMICLXXPT-OUAUKWLOSA-N -1 0 300.355 -0.046 20 0 DBADRM CC(C)(CC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O ZINC000576089371 341825432 /nfs/dbraw/zinc/82/54/32/341825432.db2.gz KYAZNPWSDODMSR-UHFFFAOYSA-N -1 0 301.386 -0.406 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CC(C(C)(C)O)C2)C[C@@H]1C(=O)[O-] ZINC000576346303 341841639 /nfs/dbraw/zinc/84/16/39/341841639.db2.gz IOJJBRWQNWFWNQ-ONGXEEELSA-N -1 0 312.366 -0.215 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000576399201 341844249 /nfs/dbraw/zinc/84/42/49/341844249.db2.gz IYRNBOZPSPGEBX-SECBINFHSA-N -1 0 305.290 -0.343 20 0 DBADRM Cc1cccn2c(=O)c(C(=O)NC[C@](C)(O)C(=O)[O-])cnc12 ZINC000576464788 341847709 /nfs/dbraw/zinc/84/77/09/341847709.db2.gz PCAMRGZJJFLVHI-AWEZNQCLSA-N -1 0 305.290 -0.432 20 0 DBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC000576994131 341874229 /nfs/dbraw/zinc/87/42/29/341874229.db2.gz KOGYIUZHIGZNNS-UWVGGRQHSA-N -1 0 309.278 -0.687 20 0 DBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC000576994130 341874277 /nfs/dbraw/zinc/87/42/77/341874277.db2.gz KOGYIUZHIGZNNS-NXEZZACHSA-N -1 0 309.278 -0.687 20 0 DBADRM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC000576994133 341874334 /nfs/dbraw/zinc/87/43/34/341874334.db2.gz KOGYIUZHIGZNNS-ZJUUUORDSA-N -1 0 309.278 -0.687 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000580559416 341876801 /nfs/dbraw/zinc/87/68/01/341876801.db2.gz FXJFBQCSHDJPLL-SSDOTTSWSA-N -1 0 320.348 -0.755 20 0 DBADRM COc1cccc(C(=O)NCC(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000577373684 341906439 /nfs/dbraw/zinc/90/64/39/341906439.db2.gz XPBBYQQWMTWITE-AWEZNQCLSA-N -1 0 310.306 -0.623 20 0 DBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]CC(=O)OC ZINC000346451709 520861128 /nfs/dbraw/zinc/86/11/28/520861128.db2.gz QDZFKUWPCZEWNO-ZCFIWIBFSA-N -1 0 321.273 -0.037 20 0 DBADRM C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(N)=O ZINC000436696749 533748472 /nfs/dbraw/zinc/74/84/72/533748472.db2.gz JBSWBZRWADBPQG-ZETCQYMHSA-N -1 0 315.351 -0.754 20 0 DBADRM Cc1c(CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])cnn1C ZINC000424508165 533848781 /nfs/dbraw/zinc/84/87/81/533848781.db2.gz VIKFGWNVXXUFIX-UHFFFAOYSA-N -1 0 310.354 -0.038 20 0 DBADRM COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)C[C@@H](C)OC ZINC000497294556 533882350 /nfs/dbraw/zinc/88/23/50/533882350.db2.gz CWEXKPPIJJANNH-SECBINFHSA-N -1 0 310.372 -0.054 20 0 DBADRM COC(=O)N1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC1 ZINC000497263775 533983748 /nfs/dbraw/zinc/98/37/48/533983748.db2.gz KZSRARWEOLBHAB-SECBINFHSA-N -1 0 315.326 -0.924 20 0 DBADRM CC(C)C[C@H](CNC(=O)NC[C@@H]1CC(C(N)=O)=NO1)C(=O)[O-] ZINC000263046480 519348331 /nfs/dbraw/zinc/34/83/31/519348331.db2.gz JXBCTUOCSCZYHP-BDAKNGLRSA-N -1 0 314.342 -0.337 20 0 DBADRM CC(=O)NCCN(C(=O)c1cccc(C(N)=O)c1)[C@@H](C)C(=O)[O-] ZINC000262176386 519661743 /nfs/dbraw/zinc/66/17/43/519661743.db2.gz DXGKPJDULNXKCB-VIFPVBQESA-N -1 0 321.333 -0.163 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccoc1 ZINC000262196469 519662880 /nfs/dbraw/zinc/66/28/80/519662880.db2.gz ZMFKBGXOBPSZHN-MRVPVSSYSA-N -1 0 304.324 -0.121 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)C[C@@H]1CCCO1 ZINC000262429417 519662970 /nfs/dbraw/zinc/66/29/70/519662970.db2.gz OCAVPBWIJOBNRH-KOLCDFICSA-N -1 0 322.383 -0.594 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N1CCCC1 ZINC000262375473 519663046 /nfs/dbraw/zinc/66/30/46/519663046.db2.gz GAWKRZOJHYDKSU-VIFPVBQESA-N -1 0 307.372 -0.762 20 0 DBADRM CC(=O)N[C@@H](C(=O)NCc1cn(CC(=O)[O-])nn1)C1CCCC1 ZINC000262764143 519679609 /nfs/dbraw/zinc/67/96/09/519679609.db2.gz GEMFXSSJSPNUBS-CYBMUJFWSA-N -1 0 323.353 -0.326 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262700960 519766589 /nfs/dbraw/zinc/76/65/89/519766589.db2.gz CEXBGQVVJGNNRH-SNVBAGLBSA-N -1 0 307.368 -0.241 20 0 DBADRM CC(C)Oc1ccc(=NC(=O)N=c2ccn(CC(N)=O)[nH]2)[n-]n1 ZINC000346636997 519778246 /nfs/dbraw/zinc/77/82/46/519778246.db2.gz BXCWEJTVCPTFBC-UHFFFAOYSA-N -1 0 319.325 -0.567 20 0 DBADRM CCCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](OC)C(=O)[O-] ZINC000263136448 519870244 /nfs/dbraw/zinc/87/02/44/519870244.db2.gz UIWGTTKAHZKFGH-DTWKUNHWSA-N -1 0 304.368 -0.096 20 0 DBADRM CCOCCN1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000331255592 519918988 /nfs/dbraw/zinc/91/89/88/519918988.db2.gz YQIZWRRCUGZCML-UHFFFAOYSA-N -1 0 310.354 -0.720 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1 ZINC000338217699 520052341 /nfs/dbraw/zinc/05/23/41/520052341.db2.gz WRPOECRYOHFIEX-UHFFFAOYSA-N -1 0 312.355 -0.053 20 0 DBADRM CCNS(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)[O-])c1 ZINC000268948310 520052798 /nfs/dbraw/zinc/05/27/98/520052798.db2.gz RGLQUJPOFHZYID-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM CCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C ZINC000266031518 520238387 /nfs/dbraw/zinc/23/83/87/520238387.db2.gz MPAPJIGNVMJUOZ-MRVPVSSYSA-N -1 0 304.372 -0.229 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cnc2ccccn2c1=O ZINC000447638426 534501274 /nfs/dbraw/zinc/50/12/74/534501274.db2.gz ZEFBWVCXWQDNRD-UHFFFAOYSA-N -1 0 301.262 -0.657 20 0 DBADRM CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](COC)C(=O)[O-] ZINC000158342238 520526479 /nfs/dbraw/zinc/52/64/79/520526479.db2.gz GDGXQAIUUNNQQF-UWVGGRQHSA-N -1 0 322.383 -0.594 20 0 DBADRM CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000331231036 520539805 /nfs/dbraw/zinc/53/98/05/520539805.db2.gz HVRSCIWHLAKOQE-LLVKDONJSA-N -1 0 322.365 -0.041 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000262102876 520763891 /nfs/dbraw/zinc/76/38/91/520763891.db2.gz FQSOTHIBWPEAPB-NXEZZACHSA-N -1 0 322.383 -0.642 20 0 DBADRM CCC[C@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)c1nnn[n-]1 ZINC000343713285 521125029 /nfs/dbraw/zinc/12/50/29/521125029.db2.gz BKXWUWVGPZDUPA-ZETCQYMHSA-N -1 0 309.330 -0.513 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000262448860 521160549 /nfs/dbraw/zinc/16/05/49/521160549.db2.gz GXTUZFNJIHKVLX-RKDXNWHRSA-N -1 0 302.352 -0.390 20 0 DBADRM CCCC[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000347259070 521219675 /nfs/dbraw/zinc/21/96/75/521219675.db2.gz KDFXAWMNIACAHL-JTQLQIEISA-N -1 0 321.337 -0.110 20 0 DBADRM CCS(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000332426623 521683979 /nfs/dbraw/zinc/68/39/79/521683979.db2.gz AFJDXVHTVWLMGU-ZCFIWIBFSA-N -1 0 312.335 -0.252 20 0 DBADRM COCC[C@@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000343924041 521808546 /nfs/dbraw/zinc/80/85/46/521808546.db2.gz KDXIUHKFAGOIFW-QMMMGPOBSA-N -1 0 322.321 -0.128 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000339352163 521845778 /nfs/dbraw/zinc/84/57/78/521845778.db2.gz KPCXQZPDFIHKNJ-GZMMTYOYSA-N -1 0 321.337 -0.255 20 0 DBADRM CC[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000262408403 521882288 /nfs/dbraw/zinc/88/22/88/521882288.db2.gz PAEBBMUOBXXPCT-NSHDSACASA-N -1 0 317.367 -0.015 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263375892 521946042 /nfs/dbraw/zinc/94/60/42/521946042.db2.gz AUUGJCUQAYYYBW-GXFFZTMASA-N -1 0 318.395 -0.019 20 0 DBADRM COCC[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-] ZINC000262348735 521955776 /nfs/dbraw/zinc/95/57/76/521955776.db2.gz YMGPQKHRGKUTNE-LBPRGKRZSA-N -1 0 308.334 -0.049 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000339352165 521961939 /nfs/dbraw/zinc/96/19/39/521961939.db2.gz KPCXQZPDFIHKNJ-KWQFWETISA-N -1 0 321.337 -0.255 20 0 DBADRM CC[C@H](C)[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000037418387 521982300 /nfs/dbraw/zinc/98/23/00/521982300.db2.gz HJZIWSYJGLSVJS-XVKPBYJWSA-N -1 0 317.367 -0.098 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC2(CO)CC2)c1 ZINC000344134130 521988252 /nfs/dbraw/zinc/98/82/52/521988252.db2.gz OVAOKYAKKOLJHY-UHFFFAOYSA-N -1 0 314.363 -0.103 20 0 DBADRM CN(CC(=O)[O-])C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000263080435 522523444 /nfs/dbraw/zinc/52/34/44/522523444.db2.gz LDBKLQIPAQDFFR-UHFFFAOYSA-N -1 0 301.324 -0.755 20 0 DBADRM CN(CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1)[C@@H]1CCSC1 ZINC000343355628 522523590 /nfs/dbraw/zinc/52/35/90/522523590.db2.gz LDUVGIRXHVUISW-SSDOTTSWSA-N -1 0 319.412 -0.416 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000263112536 522524518 /nfs/dbraw/zinc/52/45/18/522524518.db2.gz PWMLVJRTZWYHOC-UHFFFAOYSA-N -1 0 301.324 -0.707 20 0 DBADRM CN(CCC(=O)[O-])C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000262732979 522681672 /nfs/dbraw/zinc/68/16/72/522681672.db2.gz CHUARMQYMZUAIL-UHFFFAOYSA-N -1 0 315.351 -0.365 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000037465324 522919754 /nfs/dbraw/zinc/91/97/54/522919754.db2.gz BRWGFFFPOMNXKN-SNVBAGLBSA-N -1 0 322.383 -0.185 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263220739 523061154 /nfs/dbraw/zinc/06/11/54/523061154.db2.gz PACNLFLWOGIYID-UWVGGRQHSA-N -1 0 322.383 -0.231 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)C[C@H]1CCCCO1)C(=O)OC ZINC000344968577 523338869 /nfs/dbraw/zinc/33/88/69/523338869.db2.gz SRUFQVURYSPTHE-ZJUUUORDSA-N -1 0 323.367 -0.420 20 0 DBADRM COCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccn(C)n1 ZINC000345711233 523438269 /nfs/dbraw/zinc/43/82/69/523438269.db2.gz FIUCUOXPTFOZPI-SNVBAGLBSA-N -1 0 305.356 -0.410 20 0 DBADRM COCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccn(C)n1 ZINC000345711231 523440279 /nfs/dbraw/zinc/44/02/79/523440279.db2.gz FIUCUOXPTFOZPI-JTQLQIEISA-N -1 0 305.356 -0.410 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)cn1 ZINC000344354068 523451453 /nfs/dbraw/zinc/45/14/53/523451453.db2.gz KCAIQVDCIKEFEJ-UHFFFAOYSA-N -1 0 312.355 -0.224 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000262358696 523660592 /nfs/dbraw/zinc/66/05/92/523660592.db2.gz CSORIRVTVBPMLG-UHFFFAOYSA-N -1 0 319.321 -0.100 20 0 DBADRM COCCNC(=O)CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000262083511 523896825 /nfs/dbraw/zinc/89/68/25/523896825.db2.gz HFEQVRZINNARAY-UHFFFAOYSA-N -1 0 310.306 -0.358 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccn(C)n1 ZINC000345638788 523929196 /nfs/dbraw/zinc/92/91/96/523929196.db2.gz KHSYLHDHZYXEEQ-GXSJLCMTSA-N -1 0 317.367 -0.267 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCO[C@H]1C)c1ccn(C)n1 ZINC000345724589 523929947 /nfs/dbraw/zinc/92/99/47/523929947.db2.gz QYPLGHNAFKYQQJ-JMJZKYOTSA-N -1 0 317.367 -0.269 20 0 DBADRM CO[C@H](CNC(=O)CNC(=O)COc1ccccc1)C(=O)[O-] ZINC000262879136 523938425 /nfs/dbraw/zinc/93/84/25/523938425.db2.gz LAGLKNIFONEKJY-LLVKDONJSA-N -1 0 310.306 -0.603 20 0 DBADRM COCCOCC(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262136050 523977755 /nfs/dbraw/zinc/97/77/55/523977755.db2.gz HYGQKXHDZHQCTH-LLVKDONJSA-N -1 0 316.354 -0.569 20 0 DBADRM CO[C@H]1C[C@H](C(=O)[N-]OCC(N)=O)N(C(=O)OC(C)(C)C)C1 ZINC000365087843 524016703 /nfs/dbraw/zinc/01/67/03/524016703.db2.gz ZBWLZBBWFJNJED-DTWKUNHWSA-N -1 0 317.342 -0.456 20 0 DBADRM O=C(Cn1c(=O)[nH]c2ccccc21)NCCc1nc(=O)o[n-]1 ZINC000447634643 534753755 /nfs/dbraw/zinc/75/37/55/534753755.db2.gz SWEXHQYZKVYEPS-UHFFFAOYSA-N -1 0 303.278 -0.223 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2COCCO2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000344180789 524100841 /nfs/dbraw/zinc/10/08/41/524100841.db2.gz GOPIXWFECDGNOJ-QMMMGPOBSA-N -1 0 320.305 -0.110 20 0 DBADRM Cc1cc(C(=O)NCc2nc[nH]n2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000345176211 524113784 /nfs/dbraw/zinc/11/37/84/524113784.db2.gz YJNUZNFSCODJJO-UHFFFAOYSA-N -1 0 301.266 -0.207 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)C1 ZINC000368904863 524181086 /nfs/dbraw/zinc/18/10/86/524181086.db2.gz ILDXEEZOZSIPLO-NXEZZACHSA-N -1 0 308.342 -0.642 20 0 DBADRM Cc1ccc(C)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000035085364 524191077 /nfs/dbraw/zinc/19/10/77/524191077.db2.gz SLZANNVCPJRXHM-UHFFFAOYSA-N -1 0 300.336 -0.217 20 0 DBADRM C[C@@H](CO)N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000338432843 524787205 /nfs/dbraw/zinc/78/72/05/524787205.db2.gz ZYSKNIIGOKUHQA-LURJTMIESA-N -1 0 314.323 -0.563 20 0 DBADRM Cc1cc(F)cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000267096445 524950255 /nfs/dbraw/zinc/95/02/55/524950255.db2.gz VSLVDZBOPWDBNR-UHFFFAOYSA-N -1 0 304.299 -0.387 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)CC(=O)[O-] ZINC000262956923 525097316 /nfs/dbraw/zinc/09/73/16/525097316.db2.gz JQMJKPJAUAYMOO-SSDOTTSWSA-N -1 0 316.335 -0.064 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])co2)C1 ZINC000262404805 525211196 /nfs/dbraw/zinc/21/11/96/525211196.db2.gz WCUWTZMOJOQCGB-MRVPVSSYSA-N -1 0 302.308 -0.259 20 0 DBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N1CCNC(=O)C1 ZINC000021518683 525310375 /nfs/dbraw/zinc/31/03/75/525310375.db2.gz WEZNVOBPGNKFFL-UHFFFAOYSA-N -1 0 314.319 -0.481 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCn3cncc3C2)C1 ZINC000332581110 525364099 /nfs/dbraw/zinc/36/40/99/525364099.db2.gz BONVHWNICDIQIX-MNOVXSKESA-N -1 0 320.349 -0.206 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC(C(C)(C)O)C2)C1 ZINC000332496025 525364513 /nfs/dbraw/zinc/36/45/13/525364513.db2.gz YGIGLPLZQDPOMF-ZJUUUORDSA-N -1 0 312.366 -0.215 20 0 DBADRM Cc1nc2cc[n-]n2c(=O)c1CC(=O)NCC(F)(F)CO ZINC000344942296 525448439 /nfs/dbraw/zinc/44/84/39/525448439.db2.gz LIVZTQLJYVHFFZ-UHFFFAOYSA-N -1 0 300.265 -0.383 20 0 DBADRM C[C@@](O)(CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000090276332 525772066 /nfs/dbraw/zinc/77/20/66/525772066.db2.gz ICKLCCWPYUYZPK-LHLIQPBNSA-N -1 0 312.244 -0.651 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]OC[C@H]2CCOC2)C1=O ZINC000364542188 525823857 /nfs/dbraw/zinc/82/38/57/525823857.db2.gz IZRJDMXZJDFDCU-XPTSAGLGSA-N -1 0 311.338 -0.209 20 0 DBADRM CC(C)(C)OC(=O)NCCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000274961158 534886827 /nfs/dbraw/zinc/88/68/27/534886827.db2.gz LBKFGGWEKWUTJD-UHFFFAOYSA-N -1 0 317.371 -0.169 20 0 DBADRM Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCC(=O)[O-])C2=O)cc1 ZINC000262655450 525872219 /nfs/dbraw/zinc/87/22/19/525872219.db2.gz LOFXVDOMPLQNFL-OAHLLOKOSA-N -1 0 319.317 -0.037 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000338111673 525910925 /nfs/dbraw/zinc/91/09/25/525910925.db2.gz IWQWZBUGLCHBSZ-YUMQZZPRSA-N -1 0 318.355 -0.269 20 0 DBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)NCCOCC(=O)[O-])C2=O ZINC000263376589 526139417 /nfs/dbraw/zinc/13/94/17/526139417.db2.gz AWRKSHCYJBMXMJ-UHFFFAOYSA-N -1 0 320.301 -0.192 20 0 DBADRM C[C@H]1CCCCN1C(=O)CN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000092616781 526242756 /nfs/dbraw/zinc/24/27/56/526242756.db2.gz XZTQTOBWMMMWKA-LBPRGKRZSA-N -1 0 322.413 -0.383 20 0 DBADRM Cc1cc(C(=O)NCCCC(N)=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000344554932 526265935 /nfs/dbraw/zinc/26/59/35/526265935.db2.gz RAKFJWXZARCTTN-UHFFFAOYSA-N -1 0 305.294 -0.260 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CNC(=O)NC2CCCCC2)CCO1 ZINC000262902401 526284560 /nfs/dbraw/zinc/28/45/60/526284560.db2.gz BQIRUYHTHITKQB-NSHDSACASA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000262341555 526287879 /nfs/dbraw/zinc/28/78/79/526287879.db2.gz UIBPOQLWVCUZBE-SFYZADRCSA-N -1 0 324.255 -0.291 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000364398083 526289030 /nfs/dbraw/zinc/28/90/30/526289030.db2.gz CDTCKJWUQHNYRZ-BDAKNGLRSA-N -1 0 315.351 -0.572 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)C[C@H]1CCCCO1 ZINC000333650914 526292046 /nfs/dbraw/zinc/29/20/46/526292046.db2.gz YZNOVOMSCXGBQP-BDAKNGLRSA-N -1 0 310.310 -0.262 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000261696974 526325193 /nfs/dbraw/zinc/32/51/93/526325193.db2.gz NOTUBZLRUCWKEN-LLVKDONJSA-N -1 0 323.334 -0.100 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@H]2CCCO2)CCS1(=O)=O ZINC000333651804 526331969 /nfs/dbraw/zinc/33/19/69/526331969.db2.gz ZCGAEMOBBKZUER-RKDXNWHRSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@H]2CCSC2)CCS1(=O)=O ZINC000333601246 526332028 /nfs/dbraw/zinc/33/20/28/526332028.db2.gz QNAUKWXFIJTPIY-RKDXNWHRSA-N -1 0 322.408 -0.367 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC2CC(F)(F)C2)CCS1(=O)=O ZINC000332419582 526332037 /nfs/dbraw/zinc/33/20/37/526332037.db2.gz BGMRYSYCLFVRJX-SSDOTTSWSA-N -1 0 312.294 -0.323 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@@H]2CCSC2)CCS1(=O)=O ZINC000333601243 526332073 /nfs/dbraw/zinc/33/20/73/526332073.db2.gz QNAUKWXFIJTPIY-DTWKUNHWSA-N -1 0 322.408 -0.367 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2ccc3c(c2)OCC(=O)N3)CCOC1 ZINC000262063907 526338559 /nfs/dbraw/zinc/33/85/59/526338559.db2.gz FHPBOUQTTCAUDZ-AWEZNQCLSA-N -1 0 306.274 -0.009 20 0 DBADRM O=C([O-])[C@]1(NC(=O)Cn2cnc3ccccc3c2=O)CCOC1 ZINC000262226428 526338590 /nfs/dbraw/zinc/33/85/90/526338590.db2.gz USKUCVKGNKIDFC-HNNXBMFYSA-N -1 0 317.301 -0.244 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)nn1 ZINC000263353507 526401028 /nfs/dbraw/zinc/40/10/28/526401028.db2.gz QPTATJSXFUSLNP-WPRPVWTQSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C(CN1C(=O)c2ccccc2C1=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000262046963 526718873 /nfs/dbraw/zinc/71/88/73/526718873.db2.gz DXSZKTVJBXLJFC-HNNXBMFYSA-N -1 0 318.285 -0.358 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000262481702 526719445 /nfs/dbraw/zinc/71/94/45/526719445.db2.gz KOBHLBGHRZTDKQ-JTQLQIEISA-N -1 0 301.343 -0.898 20 0 DBADRM NC(=O)C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C1CCCCC1 ZINC000263350881 526907084 /nfs/dbraw/zinc/90/70/84/526907084.db2.gz POVKPPMIVRRECL-JTQLQIEISA-N -1 0 323.353 -0.083 20 0 DBADRM NC(=O)[C@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000344771846 526993226 /nfs/dbraw/zinc/99/32/26/526993226.db2.gz KQCSAXPEWQNSNJ-LURJTMIESA-N -1 0 314.697 -0.257 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c1=O ZINC000262366089 527077407 /nfs/dbraw/zinc/07/74/07/527077407.db2.gz JIYHWNFWICCQMS-RMLUDKJBSA-N -1 0 323.305 -0.951 20 0 DBADRM O=c1[n-]c(C2CCN(S(=O)(=O)N3CCOCC3)CC2)n[nH]1 ZINC000339104378 527204639 /nfs/dbraw/zinc/20/46/39/527204639.db2.gz YBJAOEJWJYIZAN-UHFFFAOYSA-N -1 0 317.371 -0.733 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)cc1C(N)=O ZINC000092181762 527290215 /nfs/dbraw/zinc/29/02/15/527290215.db2.gz JJEJBVZVXZXASV-YUMQZZPRSA-N -1 0 313.335 -0.568 20 0 DBADRM O=C([O-])C1(C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000262214501 527552235 /nfs/dbraw/zinc/55/22/35/527552235.db2.gz KILFBCQVUIDUPF-UHFFFAOYSA-N -1 0 312.347 -0.054 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)N2CCC2)cc1 ZINC000349947821 527612899 /nfs/dbraw/zinc/61/28/99/527612899.db2.gz NREYDANIBBPPOK-UHFFFAOYSA-N -1 0 313.335 -0.137 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)[C@H]2COCCO2)cc1 ZINC000262918069 527613064 /nfs/dbraw/zinc/61/30/64/527613064.db2.gz DNHYBDVGCRAYNQ-GFCCVEGCSA-N -1 0 322.317 -0.216 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)CCO1 ZINC000261762173 527636341 /nfs/dbraw/zinc/63/63/41/527636341.db2.gz PZJUGYTWUYVQBY-LBPRGKRZSA-N -1 0 317.305 -0.022 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)[C@H]2CCCCS2(=O)=O)n1 ZINC000262834579 527641798 /nfs/dbraw/zinc/64/17/98/527641798.db2.gz YGPVGTDHMZNIFH-MRVPVSSYSA-N -1 0 301.324 -0.127 20 0 DBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000040699801 527644226 /nfs/dbraw/zinc/64/42/26/527644226.db2.gz FISPELRHDGQCIK-SECBINFHSA-N -1 0 317.319 -0.428 20 0 DBADRM CCN(CC)S(=O)(=O)CCNC(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000507420782 528208930 /nfs/dbraw/zinc/20/89/30/528208930.db2.gz BKMYCEYFPVVVSG-UWVGGRQHSA-N -1 0 306.384 -0.115 20 0 DBADRM CCCc1nc(=NC(=O)C(=O)N2CC(O)(C3CC3)C2)s[n-]1 ZINC000412005775 528683468 /nfs/dbraw/zinc/68/34/68/528683468.db2.gz UYSAAEZJZSFMIO-UHFFFAOYSA-N -1 0 310.379 -0.166 20 0 DBADRM CCOC(=O)COCCNS(=O)(=O)[N-]CC(F)(F)F ZINC000451784451 528839766 /nfs/dbraw/zinc/83/97/66/528839766.db2.gz YZOMYXBVDOHTPT-UHFFFAOYSA-N -1 0 308.278 -0.448 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000497208245 529061992 /nfs/dbraw/zinc/06/19/92/529061992.db2.gz JNZKAQIMIDQCMX-UHFFFAOYSA-N -1 0 318.355 -0.330 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1 ZINC000274992623 534920701 /nfs/dbraw/zinc/92/07/01/534920701.db2.gz ZGYVLDUIJRRAAM-SECBINFHSA-N -1 0 305.356 -0.347 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)CC1=O ZINC000408382581 535139712 /nfs/dbraw/zinc/13/97/12/535139712.db2.gz DLTQLMLBTUPYPZ-QWRGUYRKSA-N -1 0 318.395 -0.274 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)c2cn(CC3(C)COC3)nn2)CC1 ZINC000408347241 535203234 /nfs/dbraw/zinc/20/32/34/535203234.db2.gz YCIPYZGJZRHHNV-UHFFFAOYSA-N -1 0 314.367 -0.073 20 0 DBADRM CC(C)(NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1nnn[n-]1 ZINC000340732345 535216963 /nfs/dbraw/zinc/21/69/63/535216963.db2.gz FOWPMBARYHRKBU-IUCAKERBSA-N -1 0 318.337 -0.498 20 0 DBADRM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)NC(C)(C)C ZINC000408063410 535253397 /nfs/dbraw/zinc/25/33/97/535253397.db2.gz QGHCHWXMLFPDAQ-ZJUUUORDSA-N -1 0 315.395 -0.078 20 0 DBADRM CC1(C)CN(CCNC(=O)CSc2n[nH]c(=O)[n-]2)CCO1 ZINC000287512935 535355354 /nfs/dbraw/zinc/35/53/54/535355354.db2.gz UVLLPSNJSSAMLB-UHFFFAOYSA-N -1 0 315.399 -0.583 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccn(CCCOC)n2)c1[O-] ZINC000286048785 535572811 /nfs/dbraw/zinc/57/28/11/535572811.db2.gz ONHDLMOPEHGJHO-SNVBAGLBSA-N -1 0 310.310 -0.093 20 0 DBADRM CCN(CC)S(=O)(=O)CCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000357418787 535618525 /nfs/dbraw/zinc/61/85/25/535618525.db2.gz JTIWAHDVMJJZSE-VHSXEESVSA-N -1 0 322.383 -0.594 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)Cn1[n-]c(SC)nc1=O)C(=O)OC ZINC000355934019 535660670 /nfs/dbraw/zinc/66/06/70/535660670.db2.gz FWLGOMNIZYLQRV-VXNVDRBHSA-N -1 0 316.383 -0.003 20 0 DBADRM CCc1cccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000275090023 535911119 /nfs/dbraw/zinc/91/11/19/535911119.db2.gz OTLMIOZXUITRTF-JTQLQIEISA-N -1 0 300.336 -0.144 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000370738772 535976622 /nfs/dbraw/zinc/97/66/22/535976622.db2.gz IMXSZNZZKMKFNX-LSJOCFKGSA-N -1 0 310.358 -0.350 20 0 DBADRM COCCS(=O)(=O)NCCc1nc(CC(=O)[O-])cs1 ZINC000275160847 536752918 /nfs/dbraw/zinc/75/29/18/536752918.db2.gz AKDGECSKAHVXGQ-UHFFFAOYSA-N -1 0 308.381 -0.122 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-] ZINC000275026262 536806551 /nfs/dbraw/zinc/80/65/51/536806551.db2.gz DYKNHPPSSZWZOA-MRVPVSSYSA-N -1 0 321.307 -0.166 20 0 DBADRM COc1ccc([C@H]2[C@H](C(=O)[N-]OCC(N)=O)CC(=O)N2C)cc1 ZINC000376148981 536948079 /nfs/dbraw/zinc/94/80/79/536948079.db2.gz KGESJRKRCIMRQP-RISCZKNCSA-N -1 0 321.333 -0.252 20 0 DBADRM O=C(NCCn1cncn1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000826440442 607785116 /nfs/dbraw/zinc/78/51/16/607785116.db2.gz MVFAXOYXCASNOK-UHFFFAOYSA-N -1 0 319.716 -0.063 20 0 DBADRM C[C@H]1C[C@H](C)N(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000736226937 598973034 /nfs/dbraw/zinc/97/30/34/598973034.db2.gz JSCUUSFNPDUHPY-YUMQZZPRSA-N -1 0 305.342 -0.501 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)N(CC(=O)[O-])CC(=O)OC)C1 ZINC000736833178 599749832 /nfs/dbraw/zinc/74/98/32/599749832.db2.gz AKYANWZANZSHQP-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM Cn1nnnc1SCCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000833064192 601606232 /nfs/dbraw/zinc/60/62/32/601606232.db2.gz PLCNLFAVEHMFEJ-SSDOTTSWSA-N -1 0 301.328 -0.996 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)S1 ZINC000833089518 601738792 /nfs/dbraw/zinc/73/87/92/601738792.db2.gz QLCGEWYPLWAWMV-RQJHMYQMSA-N -1 0 301.324 -0.755 20 0 DBADRM CC(C)(CNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC000826567816 601686348 /nfs/dbraw/zinc/68/63/48/601686348.db2.gz MGNYHRZOKRNFST-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CN1CCO[C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000091666662 599774809 /nfs/dbraw/zinc/77/48/09/599774809.db2.gz ZMVCVAARQOIPBN-QMMMGPOBSA-N -1 0 304.324 -0.413 20 0 DBADRM COCCN(C(=O)[C@@H](C)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000831710500 602149069 /nfs/dbraw/zinc/14/90/69/602149069.db2.gz YQCGBRVQCVGEAC-VHSXEESVSA-N -1 0 307.368 -0.241 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000737886342 602223405 /nfs/dbraw/zinc/22/34/05/602223405.db2.gz DBRZWMXKWIJYQP-SECBINFHSA-N -1 0 307.372 -0.137 20 0 DBADRM CS(=O)(=O)CCNC(=O)NCCCN(C(=O)[O-])C1CC1 ZINC000739984092 602224137 /nfs/dbraw/zinc/22/41/37/602224137.db2.gz LPTDYDKVFZPBBG-UHFFFAOYSA-N -1 0 307.372 -0.137 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)CCSCC(=O)[O-])CC1 ZINC000737515205 599784929 /nfs/dbraw/zinc/78/49/29/599784929.db2.gz IMEHTKFCYDUSMC-UHFFFAOYSA-N -1 0 317.411 -0.525 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2COCCN2C(=O)[O-])CCS1(=O)=O ZINC000739129503 602913626 /nfs/dbraw/zinc/91/36/26/602913626.db2.gz UJSDRXADVHHIAF-BDAKNGLRSA-N -1 0 306.340 -0.989 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000737449365 603304822 /nfs/dbraw/zinc/30/48/22/603304822.db2.gz SWKOCXUTNMHZGH-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NCC(=O)[O-] ZINC000818556176 596929181 /nfs/dbraw/zinc/92/91/81/596929181.db2.gz WCLNWGXJBASZOY-UHFFFAOYSA-N -1 0 323.305 -0.464 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000050877928 596930837 /nfs/dbraw/zinc/93/08/37/596930837.db2.gz NHVNRLOOHAMYGM-NSHDSACASA-N -1 0 318.395 -0.572 20 0 DBADRM Cn1cc(/C=C\C(=O)N2CCC(C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000740287983 596936377 /nfs/dbraw/zinc/93/63/77/596936377.db2.gz SFGRWFCTAIKVCA-ARJAWSKDSA-N -1 0 321.333 -0.580 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCC(C(=O)[O-])CC1 ZINC000737561137 596937862 /nfs/dbraw/zinc/93/78/62/596937862.db2.gz NRWBAJQZSVDZPW-MWLCHTKSSA-N -1 0 318.395 -0.525 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000817762778 596937873 /nfs/dbraw/zinc/93/78/73/596937873.db2.gz WPCGFRMLNYLIRP-ZETCQYMHSA-N -1 0 304.324 -0.126 20 0 DBADRM CNC(=O)CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000739739745 596951694 /nfs/dbraw/zinc/95/16/94/596951694.db2.gz NKQXOMNTCPLIHO-LLVKDONJSA-N -1 0 304.306 -0.432 20 0 DBADRM O=C([O-])[C@@H]1CC(C(=O)N2CCNC(=O)C2)=NN1c1ccccc1 ZINC000740729482 596959865 /nfs/dbraw/zinc/95/98/65/596959865.db2.gz DTPCBROCXGHSJB-LBPRGKRZSA-N -1 0 316.317 -0.336 20 0 DBADRM C[NH+](C)CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000739606046 596975821 /nfs/dbraw/zinc/97/58/21/596975821.db2.gz OHPAENGOGMZWCL-UHFFFAOYSA-N -1 0 319.317 -0.341 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)CSCC(=O)[O-])CC2 ZINC000818552565 596979410 /nfs/dbraw/zinc/97/94/10/596979410.db2.gz XDKOFLUEHCXJDB-MRVPVSSYSA-N -1 0 314.367 -0.327 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000818429019 596993385 /nfs/dbraw/zinc/99/33/85/596993385.db2.gz GXZWLDJWLNSNJO-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM Cn1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cn2)n1 ZINC000822689557 599234372 /nfs/dbraw/zinc/23/43/72/599234372.db2.gz MLQQIDPEKHYFCB-UHFFFAOYSA-N -1 0 306.311 -0.204 20 0 DBADRM CC[C@@H](NC(=O)N(C)CCC(=O)[O-])C(=O)N1CCOCC1 ZINC000818140740 597004848 /nfs/dbraw/zinc/00/48/48/597004848.db2.gz KFZXIEOMHYZAAW-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CN(CCC(=O)[O-])C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000818423372 597013841 /nfs/dbraw/zinc/01/38/41/597013841.db2.gz RRIYKPOMTBQVIM-UHFFFAOYSA-N -1 0 316.335 -0.354 20 0 DBADRM NC(=O)[C@H]1CC(C(=O)NCC(=O)[O-])=NN1c1ccc(F)cc1 ZINC000740324626 597027176 /nfs/dbraw/zinc/02/71/76/597027176.db2.gz HOHXFHGUZPTHSG-SNVBAGLBSA-N -1 0 308.269 -0.554 20 0 DBADRM O=C(CN1CCS(=O)(=O)CC1)NC1(C(=O)[O-])CCCC1 ZINC000740373611 597032803 /nfs/dbraw/zinc/03/28/03/597032803.db2.gz NLSTYDPQNPPWRK-UHFFFAOYSA-N -1 0 304.368 -0.770 20 0 DBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000740261367 597044179 /nfs/dbraw/zinc/04/41/79/597044179.db2.gz QKZKRSYSNMOVEZ-UHFFFAOYSA-N -1 0 304.266 -0.890 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1Cl ZINC000739745993 597044757 /nfs/dbraw/zinc/04/47/57/597044757.db2.gz QKKDONPQMZHZFM-UHFFFAOYSA-N -1 0 313.697 -0.161 20 0 DBADRM Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NCC(=O)[O-] ZINC000740151099 597045542 /nfs/dbraw/zinc/04/55/42/597045542.db2.gz VLNMJRJMNXKIPD-UHFFFAOYSA-N -1 0 314.319 -0.462 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000740482508 597046408 /nfs/dbraw/zinc/04/64/08/597046408.db2.gz IWSDSMFVMCJGEQ-UHFFFAOYSA-N -1 0 303.278 -0.534 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000740482526 597046420 /nfs/dbraw/zinc/04/64/20/597046420.db2.gz MPOWIKYZIDJQRK-UHFFFAOYSA-N -1 0 319.317 -0.052 20 0 DBADRM CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)NCC(=O)[O-] ZINC000739986344 597047811 /nfs/dbraw/zinc/04/78/11/597047811.db2.gz RMYIPMZRQPANRZ-UHFFFAOYSA-N -1 0 314.319 -0.630 20 0 DBADRM CC(C)C[C@H](NC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC000817865809 597067954 /nfs/dbraw/zinc/06/79/54/597067954.db2.gz JHJVZDREXALXNL-VIFPVBQESA-N -1 0 307.310 -0.494 20 0 DBADRM COCCNC(=O)C1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000739834053 597086089 /nfs/dbraw/zinc/08/60/89/597086089.db2.gz ZFWGPYNAYNNVKS-UHFFFAOYSA-N -1 0 318.395 -0.195 20 0 DBADRM COC(=O)c1nc2n(n1)CCCN2C(=O)CSCC(=O)[O-] ZINC000739791425 597090968 /nfs/dbraw/zinc/09/09/68/597090968.db2.gz HJSMGIYCPKMLEK-UHFFFAOYSA-N -1 0 314.323 -0.381 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)CSCC(=O)[O-])CC1 ZINC000128053799 597096686 /nfs/dbraw/zinc/09/66/86/597096686.db2.gz NYKQJDXVYUOZQK-UHFFFAOYSA-N -1 0 324.424 -0.266 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)CSCC(=O)[O-])C1 ZINC000128157701 597097191 /nfs/dbraw/zinc/09/71/91/597097191.db2.gz OLNOUSPEPIPGSY-MRVPVSSYSA-N -1 0 310.397 -0.656 20 0 DBADRM O=C([O-])CSCC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000740485609 597101798 /nfs/dbraw/zinc/10/17/98/597101798.db2.gz BBVFQEFNFLJTGN-GHMZBOCLSA-N -1 0 302.396 -0.138 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000740004648 597103853 /nfs/dbraw/zinc/10/38/53/597103853.db2.gz ITLHBQJZANFUGA-LJQANCHMSA-N -1 0 308.425 -0.673 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)CSCC(=O)[O-])n1 ZINC000739598503 597124894 /nfs/dbraw/zinc/12/48/94/597124894.db2.gz BQMLTSPPMAEDBK-UHFFFAOYSA-N -1 0 301.328 -0.877 20 0 DBADRM NC(=O)[C@H]1CN(S(=O)(=O)CCC(=O)[O-])c2ccccc2O1 ZINC000037464613 599874470 /nfs/dbraw/zinc/87/44/70/599874470.db2.gz RWAMDQURCYQSLL-SNVBAGLBSA-N -1 0 314.319 -0.456 20 0 DBADRM Cn1[nH]cnc1=NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000819084252 597134898 /nfs/dbraw/zinc/13/48/98/597134898.db2.gz HRPWTBKCGWKMQF-LLVKDONJSA-N -1 0 314.305 -0.105 20 0 DBADRM O=C([O-])CCNC(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000819489984 597216744 /nfs/dbraw/zinc/21/67/44/597216744.db2.gz HJVBOCVWMDDSEF-UHFFFAOYSA-N -1 0 311.342 -0.455 20 0 DBADRM CNS(=O)(=O)c1ccc(CNC(=O)NCCC(=O)[O-])s1 ZINC000818495237 597223216 /nfs/dbraw/zinc/22/32/16/597223216.db2.gz SEMQELLVWSHJFV-UHFFFAOYSA-N -1 0 321.380 -0.070 20 0 DBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000817733483 597226474 /nfs/dbraw/zinc/22/64/74/597226474.db2.gz BBGLWVLWYWJKSP-JTQLQIEISA-N -1 0 312.370 -0.545 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000261646339 597228427 /nfs/dbraw/zinc/22/84/27/597228427.db2.gz HCANJBAGFCBADH-SNVBAGLBSA-N -1 0 310.372 -0.625 20 0 DBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCCC(=O)[O-] ZINC000818149054 597253906 /nfs/dbraw/zinc/25/39/06/597253906.db2.gz BLJUGMNFQIETOV-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@]1([C@@H]2CCCN(C(=O)NCCC(=O)[O-])C2)NC(=O)NC1=O ZINC000818080488 597254302 /nfs/dbraw/zinc/25/43/02/597254302.db2.gz MCPUTUNZHNKZDK-AMIZOPFISA-N -1 0 312.326 -0.519 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000262422709 597262993 /nfs/dbraw/zinc/26/29/93/597262993.db2.gz QMZLYDSNCJAAGC-ZDUSSCGKSA-N -1 0 307.306 -0.819 20 0 DBADRM Nc1nsc(N2CCN(C(=O)NCCC(=O)[O-])CC2)n1 ZINC000819135118 597265248 /nfs/dbraw/zinc/26/52/48/597265248.db2.gz GTWARCYEMXYKBF-UHFFFAOYSA-N -1 0 300.344 -0.573 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCCN1C(=O)CSCC(=O)[O-] ZINC000694765249 597272686 /nfs/dbraw/zinc/27/26/86/597272686.db2.gz SNKJZEMIHRFWCS-MRVPVSSYSA-N -1 0 310.397 -0.526 20 0 DBADRM C[C@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)[O-] ZINC000242906054 597310431 /nfs/dbraw/zinc/31/04/31/597310431.db2.gz GQMTVMLBBDVYLH-LURJTMIESA-N -1 0 321.245 -0.220 20 0 DBADRM C[C@H](NC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000818039727 597317895 /nfs/dbraw/zinc/31/78/95/597317895.db2.gz NNRSIBFKFHUSKI-LURJTMIESA-N -1 0 321.293 -0.773 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1)C(=O)[O-] ZINC000818023146 597323094 /nfs/dbraw/zinc/32/30/94/597323094.db2.gz TZSOUFARXYIKRO-SCZZXKLOSA-N -1 0 319.317 -0.182 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cnn(Cc2ccncc2)c1)C(=O)[O-] ZINC000820115820 597344258 /nfs/dbraw/zinc/34/42/58/597344258.db2.gz ZDWVHVIELHZWBK-VIFPVBQESA-N -1 0 317.305 -0.146 20 0 DBADRM Cn1cnnc1CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000819078595 597346536 /nfs/dbraw/zinc/34/65/36/597346536.db2.gz UPVHZRANDDPLEZ-UHFFFAOYSA-N -1 0 317.305 -0.303 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818654112 597353443 /nfs/dbraw/zinc/35/34/43/597353443.db2.gz MGMDTNOTJFNDQK-NRFANRHFSA-N -1 0 312.347 -0.253 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)OCc1cn(CC(=O)[O-])nn1 ZINC000820136021 597356020 /nfs/dbraw/zinc/35/60/20/597356020.db2.gz BCIFUXNNOWZKLZ-MRVPVSSYSA-N -1 0 322.277 -0.183 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)OCc1cn(CC(=O)[O-])nn1 ZINC000820115041 597357810 /nfs/dbraw/zinc/35/78/10/597357810.db2.gz SHJWPNRZGNEHBL-QMMMGPOBSA-N -1 0 312.326 -0.043 20 0 DBADRM COc1c(C(=O)OCc2cn(CC(=O)[O-])nn2)c(C)nn1C ZINC000820749321 597357875 /nfs/dbraw/zinc/35/78/75/597357875.db2.gz NMSFIHARFZACRM-UHFFFAOYSA-N -1 0 309.282 -0.230 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)OCc1cn(CC(=O)[O-])nn1 ZINC000821287609 597360466 /nfs/dbraw/zinc/36/04/66/597360466.db2.gz QABRBFNTNTZFBY-UHFFFAOYSA-N -1 0 307.266 -0.843 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000820673075 597372548 /nfs/dbraw/zinc/37/25/48/597372548.db2.gz OPAYBIQUGXSKSZ-SSDOTTSWSA-N -1 0 317.323 -0.258 20 0 DBADRM COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCC(=O)[O-] ZINC000760104067 597373189 /nfs/dbraw/zinc/37/31/89/597373189.db2.gz PHMYJJHBUIOCRE-UHFFFAOYSA-N -1 0 308.699 -0.116 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)[C@@H](C)C1 ZINC000819731329 597381341 /nfs/dbraw/zinc/38/13/41/597381341.db2.gz JAJIEVBBDRXJCZ-DLOVCJGASA-N -1 0 313.354 -0.262 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cnc3sccn3c2=O)CCO1 ZINC000043702043 597382765 /nfs/dbraw/zinc/38/27/65/597382765.db2.gz FMSKDUWBHHSPBO-MRVPVSSYSA-N -1 0 309.303 -0.318 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000820890849 597385410 /nfs/dbraw/zinc/38/54/10/597385410.db2.gz QEQFYESDVHNVLV-VHSXEESVSA-N -1 0 319.383 -0.474 20 0 DBADRM CCn1nc(C)c(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1C ZINC000820517643 597388689 /nfs/dbraw/zinc/38/86/89/597388689.db2.gz MLHVLKNKQQPMGL-SNVBAGLBSA-N -1 0 324.337 -0.230 20 0 DBADRM COCCn1nc(C)c(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c1C ZINC000820738527 597389534 /nfs/dbraw/zinc/38/95/34/597389534.db2.gz GJGYXCUVYGCFTN-QMMMGPOBSA-N -1 0 312.326 -0.326 20 0 DBADRM CC[C@]1(c2cnn(C)c2)NC(=O)N(CN(C)[C@@H](C)C(=O)[O-])C1=O ZINC000820290826 597393888 /nfs/dbraw/zinc/39/38/88/597393888.db2.gz QVJDSWHUVUIBDC-LKFCYVNXSA-N -1 0 323.353 -0.060 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)[O-])CC2)co1 ZINC000821357609 597415145 /nfs/dbraw/zinc/41/51/45/597415145.db2.gz XAKFQIFSZQTVIM-UHFFFAOYSA-N -1 0 302.308 -0.136 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCC(=O)NCC(F)(F)F)CCO1 ZINC000393681965 597419418 /nfs/dbraw/zinc/41/94/18/597419418.db2.gz FWGQJGBYKFELRV-ZCFIWIBFSA-N -1 0 313.232 -0.840 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000737584403 597428826 /nfs/dbraw/zinc/42/88/26/597428826.db2.gz WHOSXJCFAOHROJ-SECBINFHSA-N -1 0 322.383 -0.305 20 0 DBADRM C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000196235689 597438106 /nfs/dbraw/zinc/43/81/06/597438106.db2.gz CEOBKYCMQIBZCX-RQJHMYQMSA-N -1 0 303.315 -0.656 20 0 DBADRM O=C([O-])CSCC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000819539790 597442952 /nfs/dbraw/zinc/44/29/52/597442952.db2.gz RUDDXTFBKWAYPW-SNVBAGLBSA-N -1 0 316.379 -0.300 20 0 DBADRM CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000818136493 597449290 /nfs/dbraw/zinc/44/92/90/597449290.db2.gz WZSBPWDMWWMAFV-LPEHRKFASA-N -1 0 301.343 -0.215 20 0 DBADRM O=C([O-])[C@H]1CCCCN1C(=O)Cn1ncn2nccc2c1=O ZINC000821509414 597451777 /nfs/dbraw/zinc/45/17/77/597451777.db2.gz UFQWAAUQQHNQDN-SNVBAGLBSA-N -1 0 305.294 -0.643 20 0 DBADRM CS(=O)(=O)CCn1cccc(NC(=O)NCC(=O)[O-])c1=O ZINC000820885858 597457360 /nfs/dbraw/zinc/45/73/60/597457360.db2.gz ODJJCNUDHOLTIQ-UHFFFAOYSA-N -1 0 317.323 -0.901 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000817753356 597458987 /nfs/dbraw/zinc/45/89/87/597458987.db2.gz RTXRVNSNXUIGHZ-ZCFIWIBFSA-N -1 0 323.309 -0.774 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000817753355 597459288 /nfs/dbraw/zinc/45/92/88/597459288.db2.gz RTXRVNSNXUIGHZ-LURJTMIESA-N -1 0 323.309 -0.774 20 0 DBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)NCC(=O)[O-])c1 ZINC000819117035 597491939 /nfs/dbraw/zinc/49/19/39/597491939.db2.gz SXQHNZTZWQMJCN-UHFFFAOYSA-N -1 0 308.294 -0.502 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2C(=O)[O-])CC1 ZINC000037435614 597493710 /nfs/dbraw/zinc/49/37/10/597493710.db2.gz GWDPOZWSYKSLDS-SNVBAGLBSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)CSCC(=O)[O-] ZINC000818114106 597495212 /nfs/dbraw/zinc/49/52/12/597495212.db2.gz WOFGAHVRGRSGIK-IUCAKERBSA-N -1 0 324.424 -0.410 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC000062118747 597495600 /nfs/dbraw/zinc/49/56/00/597495600.db2.gz IJTARWFBWPKJED-JTQLQIEISA-N -1 0 304.368 -0.409 20 0 DBADRM COc1ccc(C(=O)O[C@@H](C)C(=O)[O-])cc1S(N)(=O)=O ZINC000738092251 597496157 /nfs/dbraw/zinc/49/61/57/597496157.db2.gz ICHBPCUTSTYSOI-LURJTMIESA-N -1 0 303.292 -0.028 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N1CC[C@@H](C(=O)[O-])C1)n1cccn1 ZINC000261761525 597497144 /nfs/dbraw/zinc/49/71/44/597497144.db2.gz IBCJOWKVDPRPKU-GHMZBOCLSA-N -1 0 308.338 -0.164 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000062118671 597499056 /nfs/dbraw/zinc/49/90/56/597499056.db2.gz WDVNRNPMCJNWMS-RKDXNWHRSA-N -1 0 307.393 -0.160 20 0 DBADRM C[C@H](OC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000737715506 597499860 /nfs/dbraw/zinc/49/98/60/597499860.db2.gz ZQSJBIDRHQNEOC-LURJTMIESA-N -1 0 309.278 -0.794 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)N1CC[C@@H](C(=O)[O-])C1)[nH]c2=O ZINC000819084173 597500781 /nfs/dbraw/zinc/50/07/81/597500781.db2.gz DQMGMSFESKLRGX-MRVPVSSYSA-N -1 0 319.321 -0.065 20 0 DBADRM CN(CC(=O)N1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000818394640 597504906 /nfs/dbraw/zinc/50/49/06/597504906.db2.gz JKKWRFQPZFCRSA-NXEZZACHSA-N -1 0 304.368 -0.962 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000817803383 597508854 /nfs/dbraw/zinc/50/88/54/597508854.db2.gz QSZAAUNCXUEEHH-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)[O-] ZINC000818017504 597516368 /nfs/dbraw/zinc/51/63/68/597516368.db2.gz ADTANXFHJRCDPJ-NKWVEPMBSA-N -1 0 321.289 -0.066 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1)C(=O)[O-] ZINC000818018717 597517202 /nfs/dbraw/zinc/51/72/02/597517202.db2.gz QTVKMYLPBIMFSB-QMMMGPOBSA-N -1 0 307.306 -0.084 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000818023176 597517563 /nfs/dbraw/zinc/51/75/63/597517563.db2.gz UFKRSIYBEKNWBN-ZETCQYMHSA-N -1 0 304.266 -0.810 20 0 DBADRM CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c1C ZINC000818490782 597517955 /nfs/dbraw/zinc/51/79/55/597517955.db2.gz GAEIIKYOJGLZIY-QMMMGPOBSA-N -1 0 307.306 -0.118 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)C(=O)[O-] ZINC000818019049 597518878 /nfs/dbraw/zinc/51/88/78/597518878.db2.gz VQEQASRBNLUSJD-ZCFIWIBFSA-N -1 0 322.256 -0.671 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C)C(=O)[O-] ZINC000818018932 597519698 /nfs/dbraw/zinc/51/96/98/597519698.db2.gz VHIYEQYGYGPVST-ZCFIWIBFSA-N -1 0 307.262 -0.341 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccnc1-n1cncn1)C(=O)[O-] ZINC000818022519 597520327 /nfs/dbraw/zinc/52/03/27/597520327.db2.gz JDVSAPJUFKMUOL-SSDOTTSWSA-N -1 0 304.266 -0.810 20 0 DBADRM CCN(C(=O)CN1CC[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000249907912 597530634 /nfs/dbraw/zinc/53/06/34/597530634.db2.gz HXNRPDBOMZDASD-MNOVXSKESA-N -1 0 318.395 -0.572 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC000821357078 597611160 /nfs/dbraw/zinc/61/11/60/597611160.db2.gz GPTMXRAIIATGDQ-ZETCQYMHSA-N -1 0 306.278 -0.948 20 0 DBADRM CC(=O)NCCN(CC(=O)Nc1nncs1)[C@H](C)C(=O)[O-] ZINC000819770452 597675121 /nfs/dbraw/zinc/67/51/21/597675121.db2.gz UBKFGSZILXRAAT-SSDOTTSWSA-N -1 0 315.355 -0.612 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000820354056 597677376 /nfs/dbraw/zinc/67/73/76/597677376.db2.gz LFXCPNNIYRJBQU-IUCAKERBSA-N -1 0 316.358 -0.868 20 0 DBADRM CC(=O)NCCN(C(=O)c1cc(C(N)=O)c[nH]1)[C@H](C)C(=O)[O-] ZINC000819753130 597686064 /nfs/dbraw/zinc/68/60/64/597686064.db2.gz QMCNJMKGFSYKGE-SSDOTTSWSA-N -1 0 310.310 -0.835 20 0 DBADRM CC(=O)NCCN(C(=O)c1nc(C)c(C)[nH]c1=O)[C@@H](C)C(=O)[O-] ZINC000819762566 597688071 /nfs/dbraw/zinc/68/80/71/597688071.db2.gz OGOLMOQTOIQUBO-VIFPVBQESA-N -1 0 324.337 -0.562 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C/c1ccncn1)[C@H](C)C(=O)[O-] ZINC000819744521 597688354 /nfs/dbraw/zinc/68/83/54/597688354.db2.gz RLBZCOLVFCIYRY-HMDXOVGESA-N -1 0 306.322 -0.072 20 0 DBADRM COc1ccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])nn1 ZINC000820814550 597691948 /nfs/dbraw/zinc/69/19/48/597691948.db2.gz BDNCJNDSMOTJMN-QMMMGPOBSA-N -1 0 310.310 -0.463 20 0 DBADRM CC(=O)NCCN(C(=O)c1cccc(=O)n1C)[C@H](C)C(=O)[O-] ZINC000819758334 597692434 /nfs/dbraw/zinc/69/24/34/597692434.db2.gz XVXFIDOVMZSPOL-SECBINFHSA-N -1 0 309.322 -0.563 20 0 DBADRM COc1ncc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cn1 ZINC000781134700 597692930 /nfs/dbraw/zinc/69/29/30/597692930.db2.gz FEJTYXHVDKETSO-QMMMGPOBSA-N -1 0 310.310 -0.463 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N(C)C(C)C ZINC000262489010 597699477 /nfs/dbraw/zinc/69/94/77/597699477.db2.gz XAKWJFXINZWBTN-VIFPVBQESA-N -1 0 309.388 -0.517 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)CCO1 ZINC000820630379 597711233 /nfs/dbraw/zinc/71/12/33/597711233.db2.gz FZWXADNGJOYPKL-ILDUYXDCSA-N -1 0 313.354 -0.214 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1)C(=O)[O-] ZINC000820108142 597726710 /nfs/dbraw/zinc/72/67/10/597726710.db2.gz VZLDSENGQRLANQ-ZETCQYMHSA-N -1 0 303.278 -0.001 20 0 DBADRM CC(=O)NCCN(Cc1ccnc(N(C)C)n1)[C@@H](C)C(=O)[O-] ZINC000819781344 597734445 /nfs/dbraw/zinc/73/44/45/597734445.db2.gz UXOURCRNBHKJMX-JTQLQIEISA-N -1 0 309.370 -0.046 20 0 DBADRM Cc1nn(C)c(Cl)c1C[S@](=O)CC(=O)NCC(=O)[O-] ZINC000821209624 597736836 /nfs/dbraw/zinc/73/68/36/597736836.db2.gz ZIWLWECRXLGPNL-IBGZPJMESA-N -1 0 307.759 -0.169 20 0 DBADRM CC(C)Cn1ncnc1C[S@](=O)CC(=O)NCC(=O)[O-] ZINC000819992865 597737399 /nfs/dbraw/zinc/73/73/99/597737399.db2.gz GZKCXZWUFLJUPF-FQEVSTJZSA-N -1 0 302.356 -0.616 20 0 DBADRM O=C([O-])CNC(=O)C[S@](=O)Cc1nc(-c2ccoc2)no1 ZINC000821534563 597737409 /nfs/dbraw/zinc/73/74/09/597737409.db2.gz OTNKLGRIQASRQT-NRFANRHFSA-N -1 0 313.291 -0.221 20 0 DBADRM O=C([O-])CNC(=O)C[S@](=O)Cc1cccc2c1OCCO2 ZINC000821535321 597737443 /nfs/dbraw/zinc/73/74/43/597737443.db2.gz WMWSWPUQTZFQFT-OAQYLSRUSA-N -1 0 313.331 -0.093 20 0 DBADRM O=C([O-])CNC(=O)C[S@](=O)Cc1ncn(-c2ccccc2)n1 ZINC000821534574 597738607 /nfs/dbraw/zinc/73/86/07/597738607.db2.gz PAGYQRWMABBQLP-JOCHJYFZSA-N -1 0 322.346 -0.283 20 0 DBADRM O=C([O-])CNC(=O)C[S@@](=O)Cc1ncn(-c2ccccc2)n1 ZINC000821534575 597738613 /nfs/dbraw/zinc/73/86/13/597738613.db2.gz PAGYQRWMABBQLP-QFIPXVFZSA-N -1 0 322.346 -0.283 20 0 DBADRM O=C([O-])CNC(=O)CNc1ccc(C(=O)N2CCOCC2)cc1 ZINC000821531399 597744982 /nfs/dbraw/zinc/74/49/82/597744982.db2.gz ROLKKRINADPZQI-UHFFFAOYSA-N -1 0 321.333 -0.228 20 0 DBADRM CN(C)C(=O)COc1cccc(NCC(=O)NCC(=O)[O-])c1 ZINC000820530412 597745623 /nfs/dbraw/zinc/74/56/23/597745623.db2.gz ITIBRDZEXOJINR-UHFFFAOYSA-N -1 0 309.322 -0.234 20 0 DBADRM O=C([O-])CNC(=O)CSc1nnnn1-c1ccc(O)cc1 ZINC000821533354 597750100 /nfs/dbraw/zinc/75/01/00/597750100.db2.gz ILUYMMSHWSGRDG-UHFFFAOYSA-N -1 0 309.307 -0.339 20 0 DBADRM Nn1c(SCC(=O)NCC(=O)[O-])nnc1C1CCOCC1 ZINC000821369461 597757721 /nfs/dbraw/zinc/75/77/21/597757721.db2.gz VBFCTXSWZPOQEI-UHFFFAOYSA-N -1 0 315.355 -0.821 20 0 DBADRM Cn1cncc1[C@@H]1CC(=O)N(CN2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000821310842 597759521 /nfs/dbraw/zinc/75/95/21/597759521.db2.gz RZFQXMYOICMZOJ-ZYHUDNBSSA-N -1 0 308.338 -0.521 20 0 DBADRM C[C@H](O)CNC(=O)c1cccc(OCC(=O)NCC(=O)[O-])c1 ZINC000820160491 597761033 /nfs/dbraw/zinc/76/10/33/597761033.db2.gz DRGFWKMJOVGYBX-VIFPVBQESA-N -1 0 310.306 -0.623 20 0 DBADRM O=C([O-])CNC(=O)CN1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000821531141 597773642 /nfs/dbraw/zinc/77/36/42/597773642.db2.gz XHVJWYBPRYHWPW-SECBINFHSA-N -1 0 310.310 -0.479 20 0 DBADRM Cn1ccnc1[C@H](O)C1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000821304682 597799073 /nfs/dbraw/zinc/79/90/73/597799073.db2.gz BNRGIEPNGDIYSA-CYBMUJFWSA-N -1 0 310.354 -0.634 20 0 DBADRM O=C([O-])CCCOC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000821526118 597822236 /nfs/dbraw/zinc/82/22/36/597822236.db2.gz UTCAQKGLIHJSFE-UHFFFAOYSA-N -1 0 314.319 -0.108 20 0 DBADRM O=C([O-])CCCOC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 ZINC000738581475 597823377 /nfs/dbraw/zinc/82/33/77/597823377.db2.gz GICRUNQZPFGSQX-UHFFFAOYSA-N -1 0 315.307 -0.636 20 0 DBADRM Cc1csc(=O)n1CCC(=O)OCC(=O)NCC(=O)[O-] ZINC000821146716 597825840 /nfs/dbraw/zinc/82/58/40/597825840.db2.gz BPASBWNIRNGVMI-UHFFFAOYSA-N -1 0 302.308 -0.648 20 0 DBADRM COC(=O)c1ccc(C(=O)OCC(=O)NCC(=O)[O-])s1 ZINC000820680351 597827579 /nfs/dbraw/zinc/82/75/79/597827579.db2.gz UAQZVSOGMZUWPL-UHFFFAOYSA-N -1 0 301.276 -0.108 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)Cn1ccc(C(F)(F)F)n1 ZINC000821532024 597828285 /nfs/dbraw/zinc/82/82/85/597828285.db2.gz NFCIYNGTBRKTJK-UHFFFAOYSA-N -1 0 309.200 -0.354 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cccnc1N1CCOCC1 ZINC000821532712 597830653 /nfs/dbraw/zinc/83/06/53/597830653.db2.gz RZCBVMQVJOKIEO-UHFFFAOYSA-N -1 0 323.305 -0.724 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(-n2cncn2)cc1 ZINC000821531108 597831104 /nfs/dbraw/zinc/83/11/04/597831104.db2.gz FTNSFUHLRRQZQX-UHFFFAOYSA-N -1 0 304.262 -0.375 20 0 DBADRM CC(=O)Nc1nc(C(=O)OCC(=O)NCC(=O)[O-])cs1 ZINC000819797025 597832952 /nfs/dbraw/zinc/83/29/52/597832952.db2.gz UVPOQMOQVJBZGU-UHFFFAOYSA-N -1 0 301.280 -0.541 20 0 DBADRM CC(C)CN1C[C@H](C(=O)OCC(=O)NCC(=O)[O-])CC1=O ZINC000819977000 597833039 /nfs/dbraw/zinc/83/30/39/597833039.db2.gz OALOTXKBXMRNJQ-SECBINFHSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000821532497 597833306 /nfs/dbraw/zinc/83/33/06/597833306.db2.gz SLPZLFPRFWQEPQ-JTQLQIEISA-N -1 0 320.301 -0.217 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000821532499 597833310 /nfs/dbraw/zinc/83/33/10/597833310.db2.gz SLPZLFPRFWQEPQ-SNVBAGLBSA-N -1 0 320.301 -0.217 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)OCC(=O)NCC(=O)[O-])c2=O ZINC000821131017 597834015 /nfs/dbraw/zinc/83/40/15/597834015.db2.gz PTRDWGAFTYIFIR-UHFFFAOYSA-N -1 0 319.273 -0.639 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1csc(-c2ncccn2)n1 ZINC000821533084 597836614 /nfs/dbraw/zinc/83/66/14/597836614.db2.gz XPYFQWCJNPVYTC-UHFFFAOYSA-N -1 0 322.302 -0.042 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)Cn1cc(Br)cn1 ZINC000821532546 597836673 /nfs/dbraw/zinc/83/66/73/597836673.db2.gz UIDJYMORDMWWQM-UHFFFAOYSA-N -1 0 320.099 -0.610 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CNC(=O)c1ccsc1 ZINC000821532860 597837186 /nfs/dbraw/zinc/83/71/86/597837186.db2.gz WFFRFYZGCFLFHW-UHFFFAOYSA-N -1 0 300.292 -0.778 20 0 DBADRM COc1ccc2c(c1)OC[C@H](C(=O)OCC(=O)NCC(=O)[O-])C2 ZINC000820853640 597838913 /nfs/dbraw/zinc/83/89/13/597838913.db2.gz OPQJQUAZBZDOIT-SNVBAGLBSA-N -1 0 323.301 -0.010 20 0 DBADRM C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)CC(=O)[O-] ZINC000819883101 598038625 /nfs/dbraw/zinc/03/86/25/598038625.db2.gz OHMCQMORKXHOMQ-NSHDSACASA-N -1 0 307.354 -0.470 20 0 DBADRM CCN(C(=O)[C@H](C)N(C)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000820333146 598039928 /nfs/dbraw/zinc/03/99/28/598039928.db2.gz SQILVMPRPUUKSZ-VHSXEESVSA-N -1 0 306.384 -0.573 20 0 DBADRM CCOC(=O)N1CCN(C(=O)[C@@H](C)N(C)CC(=O)[O-])CC1 ZINC000820369209 598042339 /nfs/dbraw/zinc/04/23/39/598042339.db2.gz VHUFEKPYRSMOJS-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000821357300 598052560 /nfs/dbraw/zinc/05/25/60/598052560.db2.gz OQSVRXXPNPMWFA-SSDOTTSWSA-N -1 0 303.278 -0.625 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cn1 ZINC000821364091 598058116 /nfs/dbraw/zinc/05/81/16/598058116.db2.gz NAPICNSCRGPFMK-SECBINFHSA-N -1 0 313.335 -0.192 20 0 DBADRM COC(=O)c1cc(C(=O)OC)n(CN2CC[C@@H](C(=O)[O-])C2)n1 ZINC000820677792 598058255 /nfs/dbraw/zinc/05/82/55/598058255.db2.gz RQDBZLJCBATZRQ-MRVPVSSYSA-N -1 0 311.294 -0.180 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cccnc1OCC(F)F ZINC000821529473 598061341 /nfs/dbraw/zinc/06/13/41/598061341.db2.gz JOZLRWFMNHGFPK-UHFFFAOYSA-N -1 0 303.221 -0.135 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000037993569 598076562 /nfs/dbraw/zinc/07/65/62/598076562.db2.gz KHQDLOSGNJPUBB-UHFFFAOYSA-N -1 0 303.340 -0.392 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000819889839 598084554 /nfs/dbraw/zinc/08/45/54/598084554.db2.gz VHDNSTSEQOUHGV-MRVPVSSYSA-N -1 0 317.342 -0.441 20 0 DBADRM Cc1nn(C)c(N2CCOCC2)c1CN1CCO[C@@H](C(=O)[O-])C1 ZINC000821209353 598126300 /nfs/dbraw/zinc/12/63/00/598126300.db2.gz UBGDMIPOVFWCMZ-CYBMUJFWSA-N -1 0 324.381 -0.149 20 0 DBADRM O=C([O-])c1cccc(C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000821548181 598136636 /nfs/dbraw/zinc/13/66/36/598136636.db2.gz GQLKPYCOPGUBDY-CYBMUJFWSA-N -1 0 308.334 -0.192 20 0 DBADRM O=C([O-])c1ccc(C(=O)OCC(=O)N2CCNC(=O)C2)cc1 ZINC000821556488 598159761 /nfs/dbraw/zinc/15/97/61/598159761.db2.gz HRFDKLNZACOTLZ-UHFFFAOYSA-N -1 0 306.274 -0.500 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)CCO1 ZINC000821510511 598160904 /nfs/dbraw/zinc/16/09/04/598160904.db2.gz GRSUUEJYJRUUAC-MJVIPROJSA-N -1 0 314.338 -0.181 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)NCCCCC(=O)[O-])C1 ZINC000820890454 598167602 /nfs/dbraw/zinc/16/76/02/598167602.db2.gz CNUCPVNWSMAUGG-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cccnc1Br ZINC000821529491 598169708 /nfs/dbraw/zinc/16/97/08/598169708.db2.gz KIWOHNUPZKYRHR-UHFFFAOYSA-N -1 0 302.084 -0.017 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820630353 598173800 /nfs/dbraw/zinc/17/38/00/598173800.db2.gz FMNSSFCMZXYZIA-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CCO1 ZINC000821345276 598173969 /nfs/dbraw/zinc/17/39/69/598173969.db2.gz UKAAVHGGRJXIBL-JTQLQIEISA-N -1 0 321.289 -0.964 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N[C@H]1CCCNC1=O ZINC000821475561 598175234 /nfs/dbraw/zinc/17/52/34/598175234.db2.gz XSKWAANDKWAZKV-JTQLQIEISA-N -1 0 305.290 -0.282 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820251972 598175525 /nfs/dbraw/zinc/17/55/25/598175525.db2.gz UKVIXFZVCQROGJ-VHSXEESVSA-N -1 0 322.317 -0.069 20 0 DBADRM COC[C@@H](O)CCNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820710750 598175852 /nfs/dbraw/zinc/17/58/52/598175852.db2.gz RPVZTPTVRVADRS-VIFPVBQESA-N -1 0 310.306 -0.163 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])n1 ZINC000821310866 598175895 /nfs/dbraw/zinc/17/58/95/598175895.db2.gz TZJRRLNWCJGUQF-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM CN(C)c1nccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC000820554347 598183515 /nfs/dbraw/zinc/18/35/15/598183515.db2.gz NPTWLLMINUBCQX-SNVBAGLBSA-N -1 0 309.326 -0.462 20 0 DBADRM O=C([O-])CSCC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000821536297 598196246 /nfs/dbraw/zinc/19/62/46/598196246.db2.gz BUTUMUYEEQUGNZ-VIFPVBQESA-N -1 0 305.352 -0.158 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)NCCCCC(=O)[O-])C1 ZINC000702992240 600265689 /nfs/dbraw/zinc/26/56/89/600265689.db2.gz HFGOBDHSIKHTMV-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM C[C@H]1CCC[C@@H]1Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736264151 598244963 /nfs/dbraw/zinc/24/49/63/598244963.db2.gz VIXYIISXWZLFRE-YUMQZZPRSA-N -1 0 305.342 -0.135 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC(C)(C)CC2)n(C)c1=O ZINC000737591578 598395391 /nfs/dbraw/zinc/39/53/91/598395391.db2.gz LWLABNWDIQSQPR-UHFFFAOYSA-N -1 0 319.369 -0.110 20 0 DBADRM CCOC(=O)[C@@H](C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000049374502 600721055 /nfs/dbraw/zinc/72/10/55/600721055.db2.gz LOBNDZZKOPXZBY-SSDOTTSWSA-N -1 0 305.312 -0.802 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cscn2)c1=O ZINC000736717830 598568867 /nfs/dbraw/zinc/56/88/67/598568867.db2.gz GAPTUMWQTKFRNJ-UHFFFAOYSA-N -1 0 305.323 -0.285 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(N)=O ZINC000035794472 600991458 /nfs/dbraw/zinc/99/14/58/600991458.db2.gz JWLYRCRIQLMQOD-BYPYZUCNSA-N -1 0 308.262 -0.185 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@@H]2C2CC2)n(C)c1=O ZINC000737595094 598673261 /nfs/dbraw/zinc/67/32/61/598673261.db2.gz FVFCBQPOLIRISE-SECBINFHSA-N -1 0 317.353 -0.357 20 0 DBADRM CC(C)CN(c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C1CC1 ZINC000735831088 598813452 /nfs/dbraw/zinc/81/34/52/598813452.db2.gz NPWMTCBVHIFANK-UHFFFAOYSA-N -1 0 319.369 -0.111 20 0 DBADRM CSC[C@@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000737175105 599443829 /nfs/dbraw/zinc/44/38/29/599443829.db2.gz ASNSOZIPYRCUFO-ZCFIWIBFSA-N -1 0 311.371 -0.573 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCCC2(C)C)n(C)c1=O ZINC000822599772 599524113 /nfs/dbraw/zinc/52/41/13/599524113.db2.gz HKEATXTXFVYWDB-UHFFFAOYSA-N -1 0 305.342 -0.357 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2C[C@H]3CCC[C@@H]32)n(C)c1=O ZINC000737590491 599529577 /nfs/dbraw/zinc/52/95/77/599529577.db2.gz JHZAQBPCAGLIGV-SFYZADRCSA-N -1 0 303.326 -0.747 20 0 DBADRM O=C([N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1=COCC1 ZINC000823285354 599620264 /nfs/dbraw/zinc/62/02/64/599620264.db2.gz QTYWTUZAKMLXLY-UHFFFAOYSA-N -1 0 321.318 -0.024 20 0 DBADRM CC[C@@H]1C[C@H](C)CN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820972136 599688959 /nfs/dbraw/zinc/68/89/59/599688959.db2.gz LKSMTXKKXHERPB-DTWKUNHWSA-N -1 0 319.369 -0.111 20 0 DBADRM CC(C)[C@@H]1C(=O)NCCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000736389211 599710976 /nfs/dbraw/zinc/71/09/76/599710976.db2.gz ABYZDXRHVUGRRM-CYBMUJFWSA-N -1 0 311.382 -0.234 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000736326883 599725333 /nfs/dbraw/zinc/72/53/33/599725333.db2.gz YJUJWOJYGFOLNQ-UHFFFAOYSA-N -1 0 312.370 -0.545 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)CCCNC(=O)[O-])CC1 ZINC000738161479 599729114 /nfs/dbraw/zinc/72/91/14/599729114.db2.gz RNYDYYHFKWAYQR-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM CN(CCCC(=O)N1CCCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000737418467 599729694 /nfs/dbraw/zinc/72/96/94/599729694.db2.gz QHWNXLXOAKVDGX-UHFFFAOYSA-N -1 0 321.399 -0.130 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)CCCN(C)C(=O)[O-] ZINC000737589813 599731853 /nfs/dbraw/zinc/73/18/53/599731853.db2.gz DFBIJWSJCRVYLY-VIFPVBQESA-N -1 0 315.326 -0.734 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000736326427 599732493 /nfs/dbraw/zinc/73/24/93/599732493.db2.gz VCEWVHVGZXPOTE-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000739809420 599742687 /nfs/dbraw/zinc/74/26/87/599742687.db2.gz URLLKKKBBHZITF-UHFFFAOYSA-N -1 0 319.317 -0.256 20 0 DBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000736211490 599742965 /nfs/dbraw/zinc/74/29/65/599742965.db2.gz MKHAXLQLPCVFFB-JTQLQIEISA-N -1 0 312.370 -0.545 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000738156799 599744038 /nfs/dbraw/zinc/74/40/38/599744038.db2.gz DPEZIIMSIQRWAC-UHFFFAOYSA-N -1 0 307.372 -0.472 20 0 DBADRM CN(CCCC(=O)NCCCN1CCCS1(=O)=O)C(=O)[O-] ZINC000737425781 599749538 /nfs/dbraw/zinc/74/95/38/599749538.db2.gz HIWWYBFYYMLMGT-UHFFFAOYSA-N -1 0 321.399 -0.082 20 0 DBADRM O=C([O-])CSCCC(=O)NCCCN1CCCS1(=O)=O ZINC000739843798 599755893 /nfs/dbraw/zinc/75/58/93/599755893.db2.gz CWGSOYBEVZJBNU-UHFFFAOYSA-N -1 0 324.424 -0.264 20 0 DBADRM COc1ccc([C@H](NC(=O)CS(C)(=O)=O)C(=O)[O-])cc1 ZINC000737959499 599763041 /nfs/dbraw/zinc/76/30/41/599763041.db2.gz DMGCOAVHEVYGMQ-NSHDSACASA-N -1 0 301.320 -0.018 20 0 DBADRM NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000020593311 599765963 /nfs/dbraw/zinc/76/59/63/599765963.db2.gz TWBQRXBUMKLMRB-ZETCQYMHSA-N -1 0 302.308 -0.136 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCCNC2=O)o1 ZINC000037028120 599769420 /nfs/dbraw/zinc/76/94/20/599769420.db2.gz VOPAOZLXAHAOTC-SSDOTTSWSA-N -1 0 302.308 -0.075 20 0 DBADRM C[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037016608 599770457 /nfs/dbraw/zinc/77/04/57/599770457.db2.gz VDFXHTUWAQYZNX-SECBINFHSA-N -1 0 318.351 -0.023 20 0 DBADRM C[C@H](CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C(=O)[O-] ZINC000736600633 599773162 /nfs/dbraw/zinc/77/31/62/599773162.db2.gz WQGQUGNEFOAHQN-ZCFIWIBFSA-N -1 0 304.299 -0.076 20 0 DBADRM CN1CCO[C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000091666661 599775161 /nfs/dbraw/zinc/77/51/61/599775161.db2.gz ZMVCVAARQOIPBN-MRVPVSSYSA-N -1 0 304.324 -0.413 20 0 DBADRM CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000094299070 599777828 /nfs/dbraw/zinc/77/78/28/599777828.db2.gz XSOTYPGLAQFDHE-UHFFFAOYSA-N -1 0 311.337 -0.357 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CCO1 ZINC000133026614 599778944 /nfs/dbraw/zinc/77/89/44/599778944.db2.gz YFNAXHZATSSIEN-MRVPVSSYSA-N -1 0 319.291 -0.460 20 0 DBADRM C[C@H](OC(=O)c1ccc(N2CCCC2)nn1)C(=O)NCC(=O)[O-] ZINC000736692582 599784118 /nfs/dbraw/zinc/78/41/18/599784118.db2.gz WTGWEOOPZBKQTN-VIFPVBQESA-N -1 0 322.321 -0.177 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)CCCNC(=O)[O-] ZINC000737514892 599784880 /nfs/dbraw/zinc/78/48/80/599784880.db2.gz CLYCCIZDQYSAOL-UHFFFAOYSA-N -1 0 300.359 -0.733 20 0 DBADRM C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736767000 599791837 /nfs/dbraw/zinc/79/18/37/599791837.db2.gz XZVFNXSSRTXBNP-KCJUWKMLSA-N -1 0 319.317 -0.036 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)NCCCCC(=O)[O-])C1 ZINC000400116103 599791959 /nfs/dbraw/zinc/79/19/59/599791959.db2.gz IKVIXJCSULNXKU-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM COc1ccnc(N2CCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)c1 ZINC000738142611 599794506 /nfs/dbraw/zinc/79/45/06/599794506.db2.gz CLGKSPAOYJSTHG-NSHDSACASA-N -1 0 322.365 -0.199 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN(C)CCS(C)(=O)=O)C(=O)[O-] ZINC000736873833 599810207 /nfs/dbraw/zinc/81/02/07/599810207.db2.gz BNIWIBJSOZNYOI-ONGXEEELSA-N -1 0 308.400 -0.422 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000736476882 599821973 /nfs/dbraw/zinc/82/19/73/599821973.db2.gz AAXAUGVHGKSAIM-SECBINFHSA-N -1 0 309.388 -0.277 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000736821366 599833643 /nfs/dbraw/zinc/83/36/43/599833643.db2.gz LJWSUXSELYEEFV-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM CCOC(=O)[C@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000049374597 599867870 /nfs/dbraw/zinc/86/78/70/599867870.db2.gz BOFIIFXUDQOLRH-QMMMGPOBSA-N -1 0 308.356 -0.431 20 0 DBADRM C[C@@H](OC(=O)CCCN(C)C(=O)[O-])C(=O)N1CCNC1=O ZINC000736686070 599873261 /nfs/dbraw/zinc/87/32/61/599873261.db2.gz SEJMLVKRAPLJDQ-MRVPVSSYSA-N -1 0 301.299 -0.140 20 0 DBADRM CN(CCCC(=O)OCc1cc(=O)n(C)c(=O)n1C)C(=O)[O-] ZINC000737432684 599874165 /nfs/dbraw/zinc/87/41/65/599874165.db2.gz CMTRPSMBMZRDQB-UHFFFAOYSA-N -1 0 313.310 -0.483 20 0 DBADRM O=C([O-])CSCCNC(=S)NCCN1CCOCC1 ZINC000739865100 599885673 /nfs/dbraw/zinc/88/56/73/599885673.db2.gz XMIJPXOXYYTXMH-UHFFFAOYSA-N -1 0 307.441 -0.400 20 0 DBADRM COCCN1C[C@@H](C(=O)NCCSCC(=O)[O-])CC1=O ZINC000389435922 599890455 /nfs/dbraw/zinc/89/04/55/599890455.db2.gz CNRVMGOQZCUQIP-VIFPVBQESA-N -1 0 304.368 -0.585 20 0 DBADRM O=C([O-])CSCCNC(=O)CCC(=O)N1CCOCC1 ZINC000739859099 599893019 /nfs/dbraw/zinc/89/30/19/599893019.db2.gz GREXLRNZMMHXCL-UHFFFAOYSA-N -1 0 304.368 -0.441 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)NCCSCC(=O)[O-])CC1 ZINC000401547435 599898849 /nfs/dbraw/zinc/89/88/49/599898849.db2.gz MSWDUXWHBKITSL-UHFFFAOYSA-N -1 0 318.399 -0.187 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000737762777 599916088 /nfs/dbraw/zinc/91/60/88/599916088.db2.gz OFFCFMKTBLSILZ-NSHDSACASA-N -1 0 303.359 -0.110 20 0 DBADRM CCOCCN1CCN(CC(=O)NCCC(=O)[O-])C[C@@H]1C ZINC000737176221 599916140 /nfs/dbraw/zinc/91/61/40/599916140.db2.gz CWNALKLFKFOEBD-LBPRGKRZSA-N -1 0 301.387 -0.380 20 0 DBADRM CCOCCN1CCN(CC(=O)NCCC(=O)[O-])C[C@H]1C ZINC000737176220 599916310 /nfs/dbraw/zinc/91/63/10/599916310.db2.gz CWNALKLFKFOEBD-GFCCVEGCSA-N -1 0 301.387 -0.380 20 0 DBADRM Cc1cnn(C[C@H]2CN(CC(=O)NCCC(=O)[O-])CCO2)c1 ZINC000738812937 599920752 /nfs/dbraw/zinc/92/07/52/599920752.db2.gz XUKWECNOAIBMHS-GFCCVEGCSA-N -1 0 310.354 -0.517 20 0 DBADRM Cc1nn(C)c(C)c1CN1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000738911362 599923180 /nfs/dbraw/zinc/92/31/80/599923180.db2.gz MTRYHLNQJSWUQU-UHFFFAOYSA-N -1 0 323.397 -0.645 20 0 DBADRM Cc1noc([C@H](C)N2CCN(CC(=O)NCC(=O)[O-])CC2)n1 ZINC000738937666 599923206 /nfs/dbraw/zinc/92/32/06/599923206.db2.gz OZRLXPKCXQLREX-VIFPVBQESA-N -1 0 311.342 -0.743 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCCCC(=O)[O-] ZINC000736151010 599932918 /nfs/dbraw/zinc/93/29/18/599932918.db2.gz XBQHYZMCEYXZSC-NSHDSACASA-N -1 0 313.354 -0.515 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000739554397 599938025 /nfs/dbraw/zinc/93/80/25/599938025.db2.gz UVFUDTLSZWFBFJ-NWDGAFQWSA-N -1 0 308.338 -0.126 20 0 DBADRM C[C@H](Cn1cncn1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000736629841 599938832 /nfs/dbraw/zinc/93/88/32/599938832.db2.gz PLFOVRHFJLFMFU-SECBINFHSA-N -1 0 317.371 -0.702 20 0 DBADRM Cn1nnnc1SCCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738416356 599939649 /nfs/dbraw/zinc/93/96/49/599939649.db2.gz PQVNCBQZBDFNMJ-ZETCQYMHSA-N -1 0 301.328 -0.996 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCCNC(=O)C2)s1 ZINC000087885318 599940430 /nfs/dbraw/zinc/94/04/30/599940430.db2.gz RPFFFVNMZHLRMA-UHFFFAOYSA-N -1 0 304.349 -0.043 20 0 DBADRM COCCn1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1=O ZINC000737825635 599940860 /nfs/dbraw/zinc/94/08/60/599940860.db2.gz AXZAORNDEVEIFK-NSHDSACASA-N -1 0 310.306 -0.580 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CSc2nnnn2C2CC2)CCO1 ZINC000043701824 599942716 /nfs/dbraw/zinc/94/27/16/599942716.db2.gz QMZPTHMZDUZVTK-MRVPVSSYSA-N -1 0 313.339 -0.588 20 0 DBADRM Cc1nnc2ccc(C(=O)OCC(=O)NCCC(=O)[O-])cn12 ZINC000738937139 599945885 /nfs/dbraw/zinc/94/58/85/599945885.db2.gz WWPGCZIMKBXTSL-UHFFFAOYSA-N -1 0 306.278 -0.215 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2c(=O)cnc3ccccc32)CCO1 ZINC000738546865 599946452 /nfs/dbraw/zinc/94/64/52/599946452.db2.gz RMAIHPHOAFLHRG-LBPRGKRZSA-N -1 0 317.301 -0.292 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000737114803 599951445 /nfs/dbraw/zinc/95/14/45/599951445.db2.gz GLVMIDUAGRRDOY-LBPRGKRZSA-N -1 0 314.386 -0.441 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2CCCNC(=O)C2)c1 ZINC000740306623 599953998 /nfs/dbraw/zinc/95/39/98/599953998.db2.gz ZZNZBLIIUASZSH-UHFFFAOYSA-N -1 0 305.290 -0.328 20 0 DBADRM Cc1cc(-n2c(C)cn(CN3CCO[C@@H](C(=O)[O-])C3)c2=O)no1 ZINC000738203243 599954896 /nfs/dbraw/zinc/95/48/96/599954896.db2.gz ZIGFZXNRNDTCMV-LLVKDONJSA-N -1 0 322.321 -0.013 20 0 DBADRM O=C([O-])[C@H]1CN(CN2C(=O)C[C@@]3(CCSC3)C2=O)CCO1 ZINC000738548493 599954921 /nfs/dbraw/zinc/95/49/21/599954921.db2.gz HRYKZSIMPLZZEX-NOZJJQNGSA-N -1 0 314.363 -0.389 20 0 DBADRM Cn1ccnc1CN1CCN(Cn2cc(C(=O)[O-])nn2)CC1 ZINC000739055856 599955188 /nfs/dbraw/zinc/95/51/88/599955188.db2.gz NGIBCAMZICDXRU-UHFFFAOYSA-N -1 0 305.342 -0.515 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@H]1CCCCNC1=O ZINC000737384913 599955319 /nfs/dbraw/zinc/95/53/19/599955319.db2.gz MRXXODOXXOJZIC-LBPRGKRZSA-N -1 0 311.382 -0.090 20 0 DBADRM O=C(CN1CCO[C@@H](C(=O)[O-])C1)NC[C@H]1Cc2ccccc2O1 ZINC000738463947 599967777 /nfs/dbraw/zinc/96/77/77/599967777.db2.gz BZESDYUNVBWIFN-TZMCWYRMSA-N -1 0 320.345 -0.108 20 0 DBADRM NC(=O)c1ccc(NC(=O)CCN2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000738442985 599971840 /nfs/dbraw/zinc/97/18/40/599971840.db2.gz NLOJBXFFNPWPSS-LBPRGKRZSA-N -1 0 321.333 -0.101 20 0 DBADRM C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCO[C@H](C(=O)[O-])C1 ZINC000736214437 599978237 /nfs/dbraw/zinc/97/82/37/599978237.db2.gz GTESHJTYLJOFRJ-SKDRFNHKSA-N -1 0 321.333 -0.102 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CNC(=O)c2ccc(O)cc2)CCO1 ZINC000738486141 599990003 /nfs/dbraw/zinc/99/00/03/599990003.db2.gz BDBQKGXJWZLJNR-NSHDSACASA-N -1 0 308.290 -0.566 20 0 DBADRM CCOC(=O)c1cnn(C)c1NC(=O)CN(CC)CC(=O)[O-] ZINC000737155564 599990951 /nfs/dbraw/zinc/99/09/51/599990951.db2.gz ZIJBUSCKRJJTTJ-UHFFFAOYSA-N -1 0 312.326 -0.058 20 0 DBADRM Nc1nc(N)nc(CN2C[C@@H](C(=O)[O-])Oc3ccccc32)n1 ZINC000739203711 599992353 /nfs/dbraw/zinc/99/23/53/599992353.db2.gz REPUAEHFZQRNCB-VIFPVBQESA-N -1 0 302.294 -0.112 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)[O-])cn1C ZINC000738364833 599998824 /nfs/dbraw/zinc/99/88/24/599998824.db2.gz WZBWTVNMSIXFKQ-ZCFIWIBFSA-N -1 0 305.312 -0.977 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc(-n3nccn3)nc2)CCO1 ZINC000738548410 600009096 /nfs/dbraw/zinc/00/90/96/600009096.db2.gz KAIABFUELQZJKA-JTQLQIEISA-N -1 0 318.293 -0.020 20 0 DBADRM CCN(CC(=O)[O-])C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000737075988 600025623 /nfs/dbraw/zinc/02/56/23/600025623.db2.gz KJBKSJWMEHAVOT-UHFFFAOYSA-N -1 0 306.278 -0.419 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Oc2cccc(CC(=O)[O-])c2)c1=O ZINC000739004922 600026621 /nfs/dbraw/zinc/02/66/21/600026621.db2.gz NXONJFDJDXQNHP-UHFFFAOYSA-N -1 0 318.285 -0.220 20 0 DBADRM COC(=O)C(C)(C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037657085 600028512 /nfs/dbraw/zinc/02/85/12/600028512.db2.gz DDPSHGIZHGADCB-UHFFFAOYSA-N -1 0 308.356 -0.431 20 0 DBADRM CN(CC1CC1)C(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000737411080 600029601 /nfs/dbraw/zinc/02/96/01/600029601.db2.gz YMFOMTDSFZNMDT-UHFFFAOYSA-N -1 0 319.321 -0.454 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N2CCC[C@H](C(=O)[O-])C2)C1=O ZINC000261690676 600030982 /nfs/dbraw/zinc/03/09/82/600030982.db2.gz NGWHSZDCPMKCKB-JTQLQIEISA-N -1 0 311.338 -0.016 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CC(=O)NCC1CCC1)c2=O ZINC000739918888 600032525 /nfs/dbraw/zinc/03/25/25/600032525.db2.gz DGWHYTRDOUPDOZ-UHFFFAOYSA-N -1 0 319.321 -0.406 20 0 DBADRM CNC(=O)C1CCC(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000737535358 600039341 /nfs/dbraw/zinc/03/93/41/600039341.db2.gz LQRKRQBGCCIEKK-VQXHTEKXSA-N -1 0 313.354 -0.214 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000737632860 600040178 /nfs/dbraw/zinc/04/01/78/600040178.db2.gz JVYVOOQJMGJIPZ-ZJUUUORDSA-N -1 0 315.326 -0.288 20 0 DBADRM CC1(C)CN(CCNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC000736735773 600040294 /nfs/dbraw/zinc/04/02/94/600040294.db2.gz RBFCHLCQQMFQIX-LLVKDONJSA-N -1 0 315.370 -0.408 20 0 DBADRM CC1(C)COCCN1CCNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000736736353 600040690 /nfs/dbraw/zinc/04/06/90/600040690.db2.gz CIFRUDAJDVFJDJ-NSHDSACASA-N -1 0 315.370 -0.408 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)CC2 ZINC000738368365 600041232 /nfs/dbraw/zinc/04/12/32/600041232.db2.gz UQBFRVSNDTYDJV-UWVGGRQHSA-N -1 0 309.326 -0.604 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)ccc1C(=O)[O-] ZINC000738405635 600047124 /nfs/dbraw/zinc/04/71/24/600047124.db2.gz FITUDACWIWBDFY-VIFPVBQESA-N -1 0 319.317 -0.034 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000739182037 600055450 /nfs/dbraw/zinc/05/54/50/600055450.db2.gz BRRBPURNZYEFOA-JTQLQIEISA-N -1 0 321.289 -0.964 20 0 DBADRM C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(C[C@@H](F)C(=O)[O-])C1=O ZINC000736739197 600059017 /nfs/dbraw/zinc/05/90/17/600059017.db2.gz YROAPHRMRWRBSV-YMTOWFKASA-N -1 0 323.280 -0.025 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)C1(C(N)=O)CC1)C(=O)[O-] ZINC000736886020 600088212 /nfs/dbraw/zinc/08/82/12/600088212.db2.gz OLELNIIQXSCHEQ-VXNVDRBHSA-N -1 0 300.311 -0.589 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)C[C@H]1CCCCO1 ZINC000739636846 600081844 /nfs/dbraw/zinc/08/18/44/600081844.db2.gz RDFXXCTVYKRSBT-ZJUUUORDSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000739545182 600085461 /nfs/dbraw/zinc/08/54/61/600085461.db2.gz QUXKQXDRXKVXBS-TUAOUCFPSA-N -1 0 310.350 -0.053 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)c1ccc(C(=O)[O-])cn1 ZINC000737226399 600087659 /nfs/dbraw/zinc/08/76/59/600087659.db2.gz KTMLIPDXYBCSEK-UHFFFAOYSA-N -1 0 302.308 -0.124 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])s1 ZINC000739190154 600110989 /nfs/dbraw/zinc/11/09/89/600110989.db2.gz RUKLPOHQRLDHNX-RQJHMYQMSA-N -1 0 304.349 -0.268 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000739547529 600112992 /nfs/dbraw/zinc/11/29/92/600112992.db2.gz KARTYPJCDDOYFZ-NWDGAFQWSA-N -1 0 319.365 -0.565 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000739545180 600115647 /nfs/dbraw/zinc/11/56/47/600115647.db2.gz QTKQOCXCLKGGHH-OUAUKWLOSA-N -1 0 316.379 -0.962 20 0 DBADRM NS(=O)(=O)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000739191657 600120047 /nfs/dbraw/zinc/12/00/47/600120047.db2.gz GBPLJBPVZXSAAZ-MNOVXSKESA-N -1 0 312.347 -0.188 20 0 DBADRM O=C([O-])C1CCN(C(=O)Cn2cnc3c(c2=O)CCCN3)CC1 ZINC000739592596 600126693 /nfs/dbraw/zinc/12/66/93/600126693.db2.gz GDHGZSOAIFAQCE-UHFFFAOYSA-N -1 0 320.349 -0.075 20 0 DBADRM CCn1c(N)c(C(=O)CN2CCC[C@@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000737296055 600138335 /nfs/dbraw/zinc/13/83/35/600138335.db2.gz UACAJLAFEFNHCI-MRVPVSSYSA-N -1 0 324.337 -0.470 20 0 DBADRM COC(=O)c1ccc(NC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000737696518 600138644 /nfs/dbraw/zinc/13/86/44/600138644.db2.gz YNTKCKGDQMPUPC-NEPJUHHUSA-N -1 0 322.317 -0.069 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000740056754 600139330 /nfs/dbraw/zinc/13/93/30/600139330.db2.gz KONYBYIRPUPEMH-MROQNXINSA-N -1 0 312.366 -0.324 20 0 DBADRM Cc1nc(=O)[nH]c(SCCNS(C)(=O)=O)c1C(=O)[O-] ZINC000738229597 600142909 /nfs/dbraw/zinc/14/29/09/600142909.db2.gz LHUVOYMPWZPRFF-UHFFFAOYSA-N -1 0 307.353 -0.170 20 0 DBADRM O=C([O-])CCNC(=O)CN(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000739733336 600143697 /nfs/dbraw/zinc/14/36/97/600143697.db2.gz BKPBYHZVYWBIFB-JTQLQIEISA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)CC(=O)N1CCCCC1 ZINC000739789548 600146002 /nfs/dbraw/zinc/14/60/02/600146002.db2.gz BXWWJWLCZMOOOX-UHFFFAOYSA-N -1 0 313.398 -0.282 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)OC)cn1 ZINC000737302847 600147735 /nfs/dbraw/zinc/14/77/35/600147735.db2.gz IVIYBWMBNDGBIY-MRVPVSSYSA-N -1 0 305.312 -0.802 20 0 DBADRM O=C([O-])CCNC(=O)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000739735413 600157726 /nfs/dbraw/zinc/15/77/26/600157726.db2.gz VKKVMPZGHVAQGF-ZDUSSCGKSA-N -1 0 313.398 -0.236 20 0 DBADRM O=C([O-])CCNC(=O)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000739735412 600157757 /nfs/dbraw/zinc/15/77/57/600157757.db2.gz VKKVMPZGHVAQGF-CYBMUJFWSA-N -1 0 313.398 -0.236 20 0 DBADRM CN(C)C(=O)N1CCN(CCC(=O)N(C)CC(=O)[O-])CC1 ZINC000737349507 600159297 /nfs/dbraw/zinc/15/92/97/600159297.db2.gz FNRRNCMROQELAY-UHFFFAOYSA-N -1 0 300.359 -0.781 20 0 DBADRM C[C@@H](OC(=O)CNC(=O)c1ccc(O)cc1)C(=O)NCC(=O)[O-] ZINC000736693359 600164916 /nfs/dbraw/zinc/16/49/16/600164916.db2.gz OTFBCWXTIUXDBG-MRVPVSSYSA-N -1 0 324.289 -0.746 20 0 DBADRM C[C@H](OC(=O)CNC(=O)c1ccc(O)cc1)C(=O)NCC(=O)[O-] ZINC000736693360 600164990 /nfs/dbraw/zinc/16/49/90/600164990.db2.gz OTFBCWXTIUXDBG-QMMMGPOBSA-N -1 0 324.289 -0.746 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000739554180 600168658 /nfs/dbraw/zinc/16/86/58/600168658.db2.gz BDMPSERLOIYIQI-MNOVXSKESA-N -1 0 324.333 -0.669 20 0 DBADRM O=C(COC(=O)[C@H]1C[C@H]1C(=O)[O-])NCCCN1CCCC1=O ZINC000739320200 600173420 /nfs/dbraw/zinc/17/34/20/600173420.db2.gz MGJQGAOIGGLVSZ-ZJUUUORDSA-N -1 0 312.322 -0.621 20 0 DBADRM O=C([O-])c1ccc(C(=O)OCCCN2C(=O)CNC2=O)cn1 ZINC000740300905 600188333 /nfs/dbraw/zinc/18/83/33/600188333.db2.gz XKJGYCGSKLAYIJ-UHFFFAOYSA-N -1 0 307.262 -0.122 20 0 DBADRM C[C@@H](CC(=O)[O-])S(=O)(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000736548982 600193864 /nfs/dbraw/zinc/19/38/64/600193864.db2.gz GVXSNUDSEPYYGM-QMMMGPOBSA-N -1 0 320.367 -0.015 20 0 DBADRM CN(C(=O)CN1CC(=O)NC1=O)[C@H](C(=O)[O-])c1ccccc1 ZINC000737324300 600194127 /nfs/dbraw/zinc/19/41/27/600194127.db2.gz NTNYLRVQNXYRTC-LBPRGKRZSA-N -1 0 305.290 -0.178 20 0 DBADRM C[C@H](CS(=O)(=O)[C@@H](C)C(=O)NC[C@@H]1CCCO1)C(=O)[O-] ZINC000736614804 600197455 /nfs/dbraw/zinc/19/74/55/600197455.db2.gz KGCBLZHJHMVIFO-UTLUCORTSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@H](OC(=O)CCNC(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC000736690364 600204190 /nfs/dbraw/zinc/20/41/90/600204190.db2.gz SJUIXQGMDSYKGF-QMMMGPOBSA-N -1 0 315.326 -0.687 20 0 DBADRM CCN1CCO[C@H](CNC(=O)NCCSCC(=O)[O-])C1 ZINC000389456390 600233669 /nfs/dbraw/zinc/23/36/69/600233669.db2.gz AIZHFQVASNPTGS-SNVBAGLBSA-N -1 0 305.400 -0.176 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CN1Cc2ccccc2C1=O)C(=O)[O-] ZINC000737598175 600242470 /nfs/dbraw/zinc/24/24/70/600242470.db2.gz OJTKNJMRECZGJZ-LLVKDONJSA-N -1 0 320.301 -0.225 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc2c(c1)nnn2C)C(=O)[O-] ZINC000737590000 600243335 /nfs/dbraw/zinc/24/33/35/600243335.db2.gz GRMLLJOVFQTPPF-VIFPVBQESA-N -1 0 306.278 -0.286 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000737597904 600243484 /nfs/dbraw/zinc/24/34/84/600243484.db2.gz NAEJSRFXLSVORF-SSDOTTSWSA-N -1 0 304.299 -0.356 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CN(C)C(=O)OC(C)(C)C ZINC000737569212 600243777 /nfs/dbraw/zinc/24/37/77/600243777.db2.gz ZCMXJZJNUZVZRV-QMMMGPOBSA-N -1 0 318.326 -0.014 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N[C@@H](CC(=O)OC)C(=O)[O-] ZINC000736840194 600243850 /nfs/dbraw/zinc/24/38/50/600243850.db2.gz UNFFGAILFYSNAC-YUMQZZPRSA-N -1 0 318.351 -0.570 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](C)OC[C@@H]1CCCO1 ZINC000737566118 600245632 /nfs/dbraw/zinc/24/56/32/600245632.db2.gz KZQCFSJEUGJSGV-UTLUCORTSA-N -1 0 303.311 -0.297 20 0 DBADRM Cc1nc(NC(=O)c2cn(C)c(=O)n(C)c2=O)sc1C(=O)[O-] ZINC000738360107 600249043 /nfs/dbraw/zinc/24/90/43/600249043.db2.gz JWOZHTVQGBBZLO-UHFFFAOYSA-N -1 0 324.318 -0.201 20 0 DBADRM Cn1cc(C(=O)NCCSCCC(=O)[O-])c(=O)n(C)c1=O ZINC000739023779 600251797 /nfs/dbraw/zinc/25/17/97/600251797.db2.gz YSYOEJPNMRVBIR-UHFFFAOYSA-N -1 0 315.351 -0.978 20 0 DBADRM Cc1cc(NC(=O)CN2CCCS2(=O)=O)c(C(=O)[O-])[nH]1 ZINC000738429804 600253914 /nfs/dbraw/zinc/25/39/14/600253914.db2.gz JHYRZYLCDVVRQD-UHFFFAOYSA-N -1 0 301.324 -0.005 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CCCn1ccccc1=O ZINC000739632910 600255885 /nfs/dbraw/zinc/25/58/85/600255885.db2.gz BQSXSVZJNMCSMF-NSHDSACASA-N -1 0 321.333 -0.570 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000740315918 600259604 /nfs/dbraw/zinc/25/96/04/600259604.db2.gz JANJGUIRXXWKDV-CQSZACIVSA-N -1 0 303.274 -0.191 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000737615179 600259823 /nfs/dbraw/zinc/25/98/23/600259823.db2.gz IQRPHGLHDJSFRE-CQSZACIVSA-N -1 0 314.338 -0.075 20 0 DBADRM CCO[C@H](C)c1noc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC000737156350 600261042 /nfs/dbraw/zinc/26/10/42/600261042.db2.gz DLAKLMMBPVEJII-BDAKNGLRSA-N -1 0 312.326 -0.058 20 0 DBADRM CCO[C@@H]1C[C@@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737164205 600263442 /nfs/dbraw/zinc/26/34/42/600263442.db2.gz AYDMQHHZUOGLDL-NWDGAFQWSA-N -1 0 300.355 -0.343 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C1=O ZINC000737505685 600265356 /nfs/dbraw/zinc/26/53/56/600265356.db2.gz GIVNMSSWGYGXCE-QMMMGPOBSA-N -1 0 323.305 -0.880 20 0 DBADRM COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000737619405 600265655 /nfs/dbraw/zinc/26/56/55/600265655.db2.gz GWLWWYMIAKTZPX-MNOVXSKESA-N -1 0 314.338 -0.959 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1n[nH]c2c1CCC2 ZINC000739792494 600265677 /nfs/dbraw/zinc/26/56/77/600265677.db2.gz UQFZYCGLVCPXJC-UHFFFAOYSA-N -1 0 322.365 -0.243 20 0 DBADRM Cc1cnn(CCC(=O)N(CCN2CCOCC2)CC(=O)[O-])c1 ZINC000738811007 600266042 /nfs/dbraw/zinc/26/60/42/600266042.db2.gz BFXWKDZSIUJSQQ-UHFFFAOYSA-N -1 0 324.381 -0.173 20 0 DBADRM CN(CC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)S(C)(=O)=O ZINC000262424108 600273825 /nfs/dbraw/zinc/27/38/25/600273825.db2.gz LIYHYOZZYYNXHZ-SECBINFHSA-N -1 0 304.368 -0.409 20 0 DBADRM CCN(CCC(=O)N(C)CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737094129 600286711 /nfs/dbraw/zinc/28/67/11/600286711.db2.gz NXHFRFUQMJUKSM-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM CCOC(=O)[C@@H]1CSCCN1CCC(=O)NCC(=O)[O-] ZINC000737136706 600289771 /nfs/dbraw/zinc/28/97/71/600289771.db2.gz VLNCRFZNEIDBEL-VIFPVBQESA-N -1 0 304.368 -0.442 20 0 DBADRM CCOC(=O)[C@H]1CSCCN1CCC(=O)N(C)CC(=O)[O-] ZINC000737136244 600289949 /nfs/dbraw/zinc/28/99/49/600289949.db2.gz PZOVVKAPJVKKNC-SNVBAGLBSA-N -1 0 318.395 -0.100 20 0 DBADRM Cn1cccc1C(=O)N1CCN(CCC(=O)NCC(=O)[O-])CC1 ZINC000739044165 600291139 /nfs/dbraw/zinc/29/11/39/600291139.db2.gz ZLGUNJSBVHPCFM-UHFFFAOYSA-N -1 0 322.365 -0.626 20 0 DBADRM O=C([O-])/C=C1/SCC(=O)N1CCCN1CCS(=O)CC1 ZINC000739625283 600300404 /nfs/dbraw/zinc/30/04/04/600300404.db2.gz NXUCILJTGMUEEK-DHZHZOJOSA-N -1 0 318.420 -0.058 20 0 DBADRM NC(=O)[C@@H]1c2ccccc2CCN1CCC(=O)NCC(=O)[O-] ZINC000739160882 600307867 /nfs/dbraw/zinc/30/78/67/600307867.db2.gz QHXLEGWMBXRMGN-AWEZNQCLSA-N -1 0 305.334 -0.338 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1nnnn1Cc1ccccc1 ZINC000379475831 600309240 /nfs/dbraw/zinc/30/92/40/600309240.db2.gz QQQHZUVZTKULJD-NEPJUHHUSA-N -1 0 303.322 -0.259 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1=O ZINC000737300768 600309718 /nfs/dbraw/zinc/30/97/18/600309718.db2.gz DSUAJWHEHWBDJR-SECBINFHSA-N -1 0 307.306 -0.260 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000739294130 600312001 /nfs/dbraw/zinc/31/20/01/600312001.db2.gz TXRBNBGRSJOPOA-KCJUWKMLSA-N -1 0 320.305 -0.273 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)N2CCCNC(=O)C2)ccc1F ZINC000740305492 600319759 /nfs/dbraw/zinc/31/97/59/600319759.db2.gz JHBIDEOHSFDDNK-UHFFFAOYSA-N -1 0 323.280 -0.189 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cnc(C3CC3)nc2)CCO1 ZINC000739490068 600320666 /nfs/dbraw/zinc/32/06/66/600320666.db2.gz ZXXNEVHAXNDPMT-SNVBAGLBSA-N -1 0 320.305 -0.396 20 0 DBADRM COC(=O)CCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000737599421 600332173 /nfs/dbraw/zinc/33/21/73/600332173.db2.gz TWRIXSZBIKZOMP-UHFFFAOYSA-N -1 0 324.289 -0.232 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000738588787 600333707 /nfs/dbraw/zinc/33/37/07/600333707.db2.gz QJPKFJBLWZTOIJ-UHFFFAOYSA-N -1 0 303.278 -0.203 20 0 DBADRM CN1C(=O)c2ccc(NC(=O)C(=O)NCCC(=O)[O-])cc2C1=O ZINC000737505124 600334703 /nfs/dbraw/zinc/33/47/03/600334703.db2.gz FLMDIRARWVRANR-UHFFFAOYSA-N -1 0 319.273 -0.558 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000738588913 600334821 /nfs/dbraw/zinc/33/48/21/600334821.db2.gz SYSGBBGFYOKBPS-UHFFFAOYSA-N -1 0 317.305 -0.144 20 0 DBADRM CS(=O)(=O)CCNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405403102 600338282 /nfs/dbraw/zinc/33/82/82/600338282.db2.gz SMALRYOBRJGZNE-VIFPVBQESA-N -1 0 304.368 -0.073 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000070446602 600340026 /nfs/dbraw/zinc/34/00/26/600340026.db2.gz YTLJUQGOQIHURG-UHFFFAOYSA-N -1 0 305.312 -0.400 20 0 DBADRM CCN(CCC(=O)OC)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000737100888 600341365 /nfs/dbraw/zinc/34/13/65/600341365.db2.gz ODXOBGBYTJGJCJ-UHFFFAOYSA-N -1 0 319.339 -0.010 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000736588967 600344026 /nfs/dbraw/zinc/34/40/26/600344026.db2.gz UEWSVLFWCQFPKH-QMMMGPOBSA-N -1 0 318.293 -0.562 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1)C(=O)[O-] ZINC000736587735 600345169 /nfs/dbraw/zinc/34/51/69/600345169.db2.gz ZYAKPLBUGBHGAO-MRVPVSSYSA-N -1 0 318.293 -0.562 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)C(=O)[O-] ZINC000736587911 600346636 /nfs/dbraw/zinc/34/66/36/600346636.db2.gz HOJVIFRZKDVWGK-LURJTMIESA-N -1 0 311.269 -0.300 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCn2cncn2)cc1 ZINC000738502280 600347987 /nfs/dbraw/zinc/34/79/87/600347987.db2.gz JFPMSZOOPXIKQT-UHFFFAOYSA-N -1 0 303.278 -0.269 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(C(=O)NCCN1C(=O)CNC1=O)CC2 ZINC000739524528 600354081 /nfs/dbraw/zinc/35/40/81/600354081.db2.gz HABKZGFNGLEGIH-SECBINFHSA-N -1 0 324.337 -0.566 20 0 DBADRM COc1cc(C(=O)OCCNC(=O)[O-])ccc1OCC(N)=O ZINC000737861282 600359615 /nfs/dbraw/zinc/35/96/15/600359615.db2.gz DLWKPEBKZORFMO-UHFFFAOYSA-N -1 0 312.278 -0.016 20 0 DBADRM O=C([O-])NCc1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1 ZINC000739980433 600364791 /nfs/dbraw/zinc/36/47/91/600364791.db2.gz JPVJNANHJJFUQS-UHFFFAOYSA-N -1 0 320.305 -0.649 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737477480 600366445 /nfs/dbraw/zinc/36/64/45/600366445.db2.gz UFFZYKPOKYHSFS-UHFFFAOYSA-N -1 0 322.321 -0.321 20 0 DBADRM C[C@H](CN(C)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000736576372 600377023 /nfs/dbraw/zinc/37/70/23/600377023.db2.gz YUNLPRHJWVGNEP-VWYCJHECSA-N -1 0 320.411 -0.327 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCC(=O)[O-] ZINC000736268147 600387643 /nfs/dbraw/zinc/38/76/43/600387643.db2.gz PFAKZBHOTGDWOT-RKDXNWHRSA-N -1 0 302.327 -0.052 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cnn2ccc(C)nc12)C(=O)[O-] ZINC000737589237 600413161 /nfs/dbraw/zinc/41/31/61/600413161.db2.gz BWHGXKGPTFIIJZ-SECBINFHSA-N -1 0 306.278 -0.216 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(CN2CC[C@H](C(=O)[O-])C2)c1 ZINC000737374714 600418051 /nfs/dbraw/zinc/41/80/51/600418051.db2.gz XHEWFDWCRKTPAA-VIFPVBQESA-N -1 0 302.356 -0.503 20 0 DBADRM CCn1ccnc1CN1CCN(Cn2cc(C(=O)[O-])nn2)CC1 ZINC000737302332 600426583 /nfs/dbraw/zinc/42/65/83/600426583.db2.gz BNQFWGAAWLZHLS-UHFFFAOYSA-N -1 0 319.369 -0.032 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCNC(=O)[C@H]1c1ccccc1 ZINC000739805482 600437225 /nfs/dbraw/zinc/43/72/25/600437225.db2.gz HAVJAICMCNHSJO-CQSZACIVSA-N -1 0 305.334 -0.250 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)[C@H]1CCN(C)C1=O ZINC000736200868 600437563 /nfs/dbraw/zinc/43/75/63/600437563.db2.gz RQEKDOROCDMESV-JQWIXIFHSA-N -1 0 311.382 -0.139 20 0 DBADRM O=C([O-])CSCCC(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000739843898 600442510 /nfs/dbraw/zinc/44/25/10/600442510.db2.gz HALDSENSDXBLSH-SNVBAGLBSA-N -1 0 314.367 -0.287 20 0 DBADRM COCCN(CC(=O)[O-])CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000737778134 600447896 /nfs/dbraw/zinc/44/78/96/600447896.db2.gz XKVOFDVWQNDIGZ-LBPRGKRZSA-N -1 0 315.370 -0.854 20 0 DBADRM C[C@@H]1CN(C(=O)NCCSCC(=O)[O-])CCS1(=O)=O ZINC000707501469 600458637 /nfs/dbraw/zinc/45/86/37/600458637.db2.gz SOSZUXURTDZTOH-MRVPVSSYSA-N -1 0 310.397 -0.367 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000707503707 600460240 /nfs/dbraw/zinc/46/02/40/600460240.db2.gz MGVWUPLIXRJKPU-ZCFIWIBFSA-N -1 0 304.349 -0.051 20 0 DBADRM O=Cc1cc(C(=O)[O-])ccc1OCC(=O)N1CCNC(=O)C1 ZINC000740318352 600466939 /nfs/dbraw/zinc/46/69/39/600466939.db2.gz XZYUXVQROHOCFY-UHFFFAOYSA-N -1 0 306.274 -0.466 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)N3CC[C@H](C(=O)[O-])C3)C2=O)cn1 ZINC000739033022 600467019 /nfs/dbraw/zinc/46/70/19/600467019.db2.gz CPWIPYAORFXSBJ-ONGXEEELSA-N -1 0 321.337 -0.359 20 0 DBADRM CN1CCO[C@H](CNC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000737530360 600468986 /nfs/dbraw/zinc/46/89/86/600468986.db2.gz UQNGLZPUSCJTIX-GFCCVEGCSA-N -1 0 321.333 -0.230 20 0 DBADRM Cc1cc(C(=O)OCC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000738216807 600469412 /nfs/dbraw/zinc/46/94/12/600469412.db2.gz OJOJBWVGHQAWJW-UHFFFAOYSA-N -1 0 307.262 -0.818 20 0 DBADRM COC[C@H](O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000737753047 600471872 /nfs/dbraw/zinc/47/18/72/600471872.db2.gz KGYYJDDVJFLLPZ-SECBINFHSA-N -1 0 310.306 -0.245 20 0 DBADRM O=C([O-])C[C@@H]1NC(=O)N([C@H]2CCN(CC(F)(F)F)C2=O)C1=O ZINC000739656703 600474094 /nfs/dbraw/zinc/47/40/94/600474094.db2.gz FNNFVKYXLLFBGS-WDSKDSINSA-N -1 0 323.227 -0.455 20 0 DBADRM O=C([O-])CNC(=O)CSc1nnnn1C[C@H]1CCCO1 ZINC000739813598 600479759 /nfs/dbraw/zinc/47/97/59/600479759.db2.gz MGRRVSNUEGLSQJ-SSDOTTSWSA-N -1 0 301.328 -0.855 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000736152197 600485052 /nfs/dbraw/zinc/48/50/52/600485052.db2.gz HXYNHGRKJUAIGV-UHFFFAOYSA-N -1 0 324.337 -0.008 20 0 DBADRM Cn1nc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)ccc1=O ZINC000739057326 600492661 /nfs/dbraw/zinc/49/26/61/600492661.db2.gz LUGAXJYVQYRLNE-SNVBAGLBSA-N -1 0 309.322 -0.124 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000231020479 600495259 /nfs/dbraw/zinc/49/52/59/600495259.db2.gz HOTYICPNCWBXJG-SECBINFHSA-N -1 0 307.372 -0.568 20 0 DBADRM CCN1CCN(CC(=O)NCc2ccc(C(=O)[O-])o2)C(=O)C1=O ZINC000737115044 600495952 /nfs/dbraw/zinc/49/59/52/600495952.db2.gz GWXGNQSBMSHPNB-UHFFFAOYSA-N -1 0 323.305 -0.715 20 0 DBADRM CS(=O)(=O)NCCC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000738164868 600501208 /nfs/dbraw/zinc/50/12/08/600501208.db2.gz FYIVIBFXFYMUNH-SNVBAGLBSA-N -1 0 322.383 -0.592 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCN2CCSCC2)CCO1 ZINC000230944167 600514297 /nfs/dbraw/zinc/51/42/97/600514297.db2.gz JBUZZALADYYUON-SNVBAGLBSA-N -1 0 303.384 -0.470 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCN2CCSCC2)CCO1 ZINC000230944165 600514356 /nfs/dbraw/zinc/51/43/56/600514356.db2.gz JBUZZALADYYUON-JTQLQIEISA-N -1 0 303.384 -0.470 20 0 DBADRM COC(=O)c1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)nc1 ZINC000737682026 600534501 /nfs/dbraw/zinc/53/45/01/600534501.db2.gz AWUCBRUDABSFLU-UHFFFAOYSA-N -1 0 305.250 -0.134 20 0 DBADRM C[C@H](CN(C(=O)CCn1cc[nH]c(=O)c1=O)C1CC1)C(=O)[O-] ZINC000736561247 600576501 /nfs/dbraw/zinc/57/65/01/600576501.db2.gz ACAZPPOOSGTBKC-SECBINFHSA-N -1 0 309.322 -0.362 20 0 DBADRM CS(=O)(=O)CC(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000738151026 600577201 /nfs/dbraw/zinc/57/72/01/600577201.db2.gz PVXOBBREPKSJFZ-UHFFFAOYSA-N -1 0 301.320 -0.189 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCC(=O)[O-])ccc1OC ZINC000261712536 600577811 /nfs/dbraw/zinc/57/78/11/600577811.db2.gz PWKHOYQUYCFFKW-UHFFFAOYSA-N -1 0 303.292 -0.155 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000737387238 600583149 /nfs/dbraw/zinc/58/31/49/600583149.db2.gz QUSMYROOIUQHKK-SNVBAGLBSA-N -1 0 308.356 -0.873 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NCCSCC(=O)[O-] ZINC000737385403 600583941 /nfs/dbraw/zinc/58/39/41/600583941.db2.gz CJYOFYDMCLDIOE-UHFFFAOYSA-N -1 0 312.413 -0.251 20 0 DBADRM C[C@H](NC(N)=O)C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000736661925 600587525 /nfs/dbraw/zinc/58/75/25/600587525.db2.gz JSUWNMAUZIPNFI-WPRPVWTQSA-N -1 0 309.322 -0.192 20 0 DBADRM C[C@@H](NC(N)=O)C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000736661919 600587661 /nfs/dbraw/zinc/58/76/61/600587661.db2.gz JSUWNMAUZIPNFI-PSASIEDQSA-N -1 0 309.322 -0.192 20 0 DBADRM C[C@@H](NC(N)=O)C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000736661921 600587735 /nfs/dbraw/zinc/58/77/35/600587735.db2.gz JSUWNMAUZIPNFI-SCZZXKLOSA-N -1 0 309.322 -0.192 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000736148193 600593336 /nfs/dbraw/zinc/59/33/36/600593336.db2.gz HINABWYPGQVHPG-KOLCDFICSA-N -1 0 313.354 -0.707 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000736574427 600594002 /nfs/dbraw/zinc/59/40/02/600594002.db2.gz CXIBAAGLWXFCRS-ZETCQYMHSA-N -1 0 320.305 -0.173 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000262379203 600614149 /nfs/dbraw/zinc/61/41/49/600614149.db2.gz CFZCYENDVTVARF-MFKMUULPSA-N -1 0 308.338 -0.127 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccnc(N2CCCCC2)n1 ZINC000739813663 600620086 /nfs/dbraw/zinc/62/00/86/600620086.db2.gz PDERYRRGCIHXGE-UHFFFAOYSA-N -1 0 322.321 -0.176 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)Cn1nc2ccccn2c1=O ZINC000737790961 600620727 /nfs/dbraw/zinc/62/07/27/600620727.db2.gz XNQGYYMMSMQOTK-UHFFFAOYSA-N -1 0 322.321 -0.554 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCS(=O)(=O)C[C@@H]1C)C(=O)[O-] ZINC000736888546 600622870 /nfs/dbraw/zinc/62/28/70/600622870.db2.gz UXXYNFGEUKZYLY-JBLDHEPKSA-N -1 0 320.411 -0.279 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@H]1COc2ccccc21 ZINC000387090650 600630156 /nfs/dbraw/zinc/63/01/56/600630156.db2.gz ROCIGKLALDPNKZ-QWRGUYRKSA-N -1 0 304.302 -0.036 20 0 DBADRM O=C([O-])c1ccc(CCC(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000739257225 600634007 /nfs/dbraw/zinc/63/40/07/600634007.db2.gz YBSIOSOCFYKNLS-UHFFFAOYSA-N -1 0 319.317 -0.015 20 0 DBADRM Cc1sc(=O)n(CCC(=O)OCC(=O)NCC(=O)[O-])c1C ZINC000738989820 600648810 /nfs/dbraw/zinc/64/88/10/600648810.db2.gz HUGYVPPOAYWBKR-UHFFFAOYSA-N -1 0 316.335 -0.339 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000831176339 600676089 /nfs/dbraw/zinc/67/60/89/600676089.db2.gz YQKWCTAQPYRUQL-CBAPKCEASA-N -1 0 304.299 -0.501 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@H](C)O1 ZINC000035651597 600684204 /nfs/dbraw/zinc/68/42/04/600684204.db2.gz WMPMZDSSKNWSSS-IUCAKERBSA-N -1 0 303.340 -0.234 20 0 DBADRM CCN1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000035651629 600684386 /nfs/dbraw/zinc/68/43/86/600684386.db2.gz FSBLBJIIXCKJIP-UHFFFAOYSA-N -1 0 302.356 -0.706 20 0 DBADRM C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCO)s1)C(=O)[O-] ZINC000820182700 600687116 /nfs/dbraw/zinc/68/71/16/600687116.db2.gz DRJMMKOWZUDRBC-ZCFIWIBFSA-N -1 0 323.348 -0.351 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)c1nnn(C)c1C)C(=O)[O-] ZINC000828730470 600688816 /nfs/dbraw/zinc/68/88/16/600688816.db2.gz VLXFHDGISQEWMG-XVKPBYJWSA-N -1 0 312.326 -0.104 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)c1nnn(C)c1C)C(=O)[O-] ZINC000828730463 600688887 /nfs/dbraw/zinc/68/88/87/600688887.db2.gz VLXFHDGISQEWMG-OIBJUYFYSA-N -1 0 312.326 -0.104 20 0 DBADRM CCNC(=O)CN(CC)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037829995 600693947 /nfs/dbraw/zinc/69/39/47/600693947.db2.gz QOADNECDHFOXTO-UHFFFAOYSA-N -1 0 303.340 -0.140 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)CC1CCOCC1)C(=O)[O-] ZINC000776518055 600700694 /nfs/dbraw/zinc/70/06/94/600700694.db2.gz OZCUZOQACOYCMI-VIFPVBQESA-N -1 0 309.340 -0.651 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCc2cccnc2)cn1 ZINC000037717902 600701225 /nfs/dbraw/zinc/70/12/25/600701225.db2.gz BOFJOWHEKBPKOL-UHFFFAOYSA-N -1 0 310.335 -0.116 20 0 DBADRM COC(=O)c1cn(CN2CCSC[C@@H]2CC(=O)[O-])nn1 ZINC000737711401 600702564 /nfs/dbraw/zinc/70/25/64/600702564.db2.gz GHAUHMWGWYJZOT-QMMMGPOBSA-N -1 0 300.340 -0.086 20 0 DBADRM COC(=O)c1ncn(CN2CCSC[C@@H]2CC(=O)[O-])n1 ZINC000737713955 600704474 /nfs/dbraw/zinc/70/44/74/600704474.db2.gz NRDMIZDIENWSOW-QMMMGPOBSA-N -1 0 300.340 -0.086 20 0 DBADRM CCN(CC(=O)N(C)C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000036199391 600708483 /nfs/dbraw/zinc/70/84/83/600708483.db2.gz MBZXWCIICDLQPG-UHFFFAOYSA-N -1 0 318.355 -0.934 20 0 DBADRM CCN(CC(=O)N(C)C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000036199349 600708510 /nfs/dbraw/zinc/70/85/10/600708510.db2.gz TYEPBSLPCXAAID-UHFFFAOYSA-N -1 0 303.340 -0.188 20 0 DBADRM C[C@H](CN1CCOCC1)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037016576 600710476 /nfs/dbraw/zinc/71/04/76/600710476.db2.gz ZKVRKVZKEGXDNN-SECBINFHSA-N -1 0 317.367 -0.288 20 0 DBADRM CN1CCN(CC(=O)NCc2ccc(C(=O)[O-])cc2)CC1=O ZINC000737526387 600716068 /nfs/dbraw/zinc/71/60/68/600716068.db2.gz NCXCFQPKDFWUJN-UHFFFAOYSA-N -1 0 305.334 -0.225 20 0 DBADRM CN1CCN(CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1=O ZINC000737526853 600716299 /nfs/dbraw/zinc/71/62/99/600716299.db2.gz XUEXQTRPCFWBSI-CYBMUJFWSA-N -1 0 319.361 -0.428 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N1CCC(CC(=O)[O-])CC1 ZINC000093679396 600720683 /nfs/dbraw/zinc/72/06/83/600720683.db2.gz HSWYFYYQJNHHFK-UHFFFAOYSA-N -1 0 313.397 -0.453 20 0 DBADRM CCOC(=O)CN(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000049608162 600726626 /nfs/dbraw/zinc/72/66/26/600726626.db2.gz RHCKVKLUKDXTCN-UHFFFAOYSA-N -1 0 305.312 -0.849 20 0 DBADRM CN1CCO[C@@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000091666634 600729208 /nfs/dbraw/zinc/72/92/08/600729208.db2.gz QUTMENRQJCDBKE-QMMMGPOBSA-N -1 0 303.340 -0.678 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCCN2CCOC2=O)c[nH]1 ZINC000833305172 600738420 /nfs/dbraw/zinc/73/84/20/600738420.db2.gz VIHTVRFGYNTJGU-UHFFFAOYSA-N -1 0 317.323 -0.167 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000263019898 600744561 /nfs/dbraw/zinc/74/45/61/600744561.db2.gz OJBSVDKVQQFRSS-JTQLQIEISA-N -1 0 321.399 -0.180 20 0 DBADRM CNC(=O)[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000230953083 600745017 /nfs/dbraw/zinc/74/50/17/600745017.db2.gz AGGHGXVWBXNXGZ-QMMMGPOBSA-N -1 0 315.351 -0.140 20 0 DBADRM COCCN(CC(=O)OC)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000831719781 600747694 /nfs/dbraw/zinc/74/76/94/600747694.db2.gz SJKJGVDXAUVLML-UHFFFAOYSA-N -1 0 320.323 -0.477 20 0 DBADRM CCc1cc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)n[nH]1 ZINC000829318852 600753932 /nfs/dbraw/zinc/75/39/32/600753932.db2.gz NENYDSKOUBVACO-UHFFFAOYSA-N -1 0 313.339 -0.268 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000228734634 600755312 /nfs/dbraw/zinc/75/53/12/600755312.db2.gz FNMMALWXELAYBD-SSDOTTSWSA-N -1 0 322.364 -0.480 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)NCCSCC(=O)[O-])cn1 ZINC000833042991 600770584 /nfs/dbraw/zinc/77/05/84/600770584.db2.gz WXYHAYLRCPCXKJ-VIFPVBQESA-N -1 0 302.356 -0.430 20 0 DBADRM CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000037838928 600771689 /nfs/dbraw/zinc/77/16/89/600771689.db2.gz OTFALVRXNVLISD-SECBINFHSA-N -1 0 315.351 -0.378 20 0 DBADRM CCOC(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000049374525 600773551 /nfs/dbraw/zinc/77/35/51/600773551.db2.gz DTYVXTRELVKCAL-SSDOTTSWSA-N -1 0 304.324 -0.047 20 0 DBADRM CN(C)C(=O)CCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000390344786 600774508 /nfs/dbraw/zinc/77/45/08/600774508.db2.gz NIIWPFVRUYUGRM-UHFFFAOYSA-N -1 0 317.367 -0.130 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(=O)NC(C)(C)CC(=O)[O-])cn1 ZINC000739037292 600790467 /nfs/dbraw/zinc/79/04/67/600790467.db2.gz QAGJXUWEKLFIFA-UHFFFAOYSA-N -1 0 318.355 -0.932 20 0 DBADRM O=C([O-])c1ccsc1N1CC[C@H](N2CCNC(=O)C2)C1=O ZINC000833359126 600793807 /nfs/dbraw/zinc/79/38/07/600793807.db2.gz UTPCRHQRQKOQRU-VIFPVBQESA-N -1 0 309.347 -0.017 20 0 DBADRM CCOC(=O)[C@@H]1CN(CCC(=O)N(C)CC(=O)[O-])CCO1 ZINC000737136895 600794997 /nfs/dbraw/zinc/79/49/97/600794997.db2.gz ZVMBGPLSTOFNOZ-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM CCO[C@H]1C[C@H](O)C12CCN(CC(=O)NCC(=O)[O-])CC2 ZINC000737164922 600808489 /nfs/dbraw/zinc/80/84/89/600808489.db2.gz LBNBYQKWOGGDDC-QWRGUYRKSA-N -1 0 300.355 -0.561 20 0 DBADRM CS(=O)(=O)CCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000037751037 600828070 /nfs/dbraw/zinc/82/80/70/600828070.db2.gz VCFZTHQXGQOLHN-UHFFFAOYSA-N -1 0 322.364 -0.511 20 0 DBADRM Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NCC(=O)[O-] ZINC000262726380 600835192 /nfs/dbraw/zinc/83/51/92/600835192.db2.gz ZLLBGGZNVVXHQF-UHFFFAOYSA-N -1 0 323.349 -0.196 20 0 DBADRM C[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000817791718 600841294 /nfs/dbraw/zinc/84/12/94/600841294.db2.gz PYIJKEARRDTYPT-VIFPVBQESA-N -1 0 303.340 -0.405 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Nc2cnn(-c3ncccn3)c2)CCO1 ZINC000819319750 600845151 /nfs/dbraw/zinc/84/51/51/600845151.db2.gz OIUIOOFXEOUPDV-SNVBAGLBSA-N -1 0 318.293 -0.020 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000830991637 600865456 /nfs/dbraw/zinc/86/54/56/600865456.db2.gz HNWJSPLQVUYUEI-UHFFFAOYSA-N -1 0 313.335 -0.136 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])cn1 ZINC000737815358 600873217 /nfs/dbraw/zinc/87/32/17/600873217.db2.gz PKCSTQGKZPNPAL-VHSXEESVSA-N -1 0 310.310 -0.695 20 0 DBADRM CC(=O)N[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccc1F)C(N)=O ZINC000825879646 600877054 /nfs/dbraw/zinc/87/70/54/600877054.db2.gz YJYQLBQSZWFLBU-JTQLQIEISA-N -1 0 311.269 -0.158 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C ZINC000739626204 600881861 /nfs/dbraw/zinc/88/18/61/600881861.db2.gz DYHOCEGRGJCYCG-RKDXNWHRSA-N -1 0 302.327 -0.100 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1nccn2ccnc12 ZINC000833207068 600887573 /nfs/dbraw/zinc/88/75/73/600887573.db2.gz GDIQHSXLXUAKLG-QMMMGPOBSA-N -1 0 303.278 -0.855 20 0 DBADRM O=CNc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000833358222 600887616 /nfs/dbraw/zinc/88/76/16/600887616.db2.gz PFQQYUSVYWDZND-NSHDSACASA-N -1 0 305.290 -0.330 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1nccn2ccnc12 ZINC000833207067 600887637 /nfs/dbraw/zinc/88/76/37/600887637.db2.gz GDIQHSXLXUAKLG-MRVPVSSYSA-N -1 0 303.278 -0.855 20 0 DBADRM CN(C(=O)c1cn(CC(N)=O)nn1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830537442 600889652 /nfs/dbraw/zinc/88/96/52/600889652.db2.gz JXQKVBMPFKCZMN-GFCCVEGCSA-N -1 0 317.305 -0.339 20 0 DBADRM NC(=O)Cn1cc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)nn1 ZINC000833083119 600896585 /nfs/dbraw/zinc/89/65/85/600896585.db2.gz NYXLKNQHGMQHRX-JTQLQIEISA-N -1 0 317.305 -0.638 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000737572925 600901233 /nfs/dbraw/zinc/90/12/33/600901233.db2.gz HPQWIHXNRWVLOW-VIFPVBQESA-N -1 0 320.257 -0.684 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCN1C(=O)CCC1=O)c1ccccn1 ZINC000833099533 600909499 /nfs/dbraw/zinc/90/94/99/600909499.db2.gz RAVAFIGJIPANNA-ZDUSSCGKSA-N -1 0 305.290 -0.137 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000739553828 600913847 /nfs/dbraw/zinc/91/38/47/600913847.db2.gz RVZHSKWPJMRJHQ-QWRGUYRKSA-N -1 0 322.321 -0.599 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000828167090 600937686 /nfs/dbraw/zinc/93/76/86/600937686.db2.gz BSWACMQRKPPXBZ-SNXWAXQRSA-N -1 0 306.322 -0.249 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000833181276 600938074 /nfs/dbraw/zinc/93/80/74/600938074.db2.gz LZFPIQKULGDDLQ-XHNCKOQMSA-N -1 0 313.335 -0.098 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@H]1CSC(=O)N1 ZINC000833248089 600943044 /nfs/dbraw/zinc/94/30/44/600943044.db2.gz KMGSTTDOJJYAFQ-VIFPVBQESA-N -1 0 317.367 -0.943 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@H]1CSC(=O)N1 ZINC000833248088 600943084 /nfs/dbraw/zinc/94/30/84/600943084.db2.gz KMGSTTDOJJYAFQ-SECBINFHSA-N -1 0 317.367 -0.943 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000707472164 600946735 /nfs/dbraw/zinc/94/67/35/600946735.db2.gz AMGDBSOCHZQWGB-IVZWLZJFSA-N -1 0 304.368 -0.233 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000828042015 600953978 /nfs/dbraw/zinc/95/39/78/600953978.db2.gz LDRHJXQDUNFNCZ-UHFFFAOYSA-N -1 0 309.278 -0.076 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)C(N)=O ZINC000825879486 600960784 /nfs/dbraw/zinc/96/07/84/600960784.db2.gz WBUAOIJKZCTTKS-WCQYABFASA-N -1 0 321.333 -0.349 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H](C(=O)[O-])c1ccccn1 ZINC000828042019 600974447 /nfs/dbraw/zinc/97/44/47/600974447.db2.gz LHHASYFKLYDSRS-JTQLQIEISA-N -1 0 320.305 -0.346 20 0 DBADRM CCN1CCO[C@@H](C(=O)N(CC(=O)[O-])C2CCOCC2)C1 ZINC000829780870 600976972 /nfs/dbraw/zinc/97/69/72/600976972.db2.gz MUUGBXQXOSMWQU-GFCCVEGCSA-N -1 0 300.355 -0.201 20 0 DBADRM CCN(CC(=O)[O-])CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000829635456 600984584 /nfs/dbraw/zinc/98/45/84/600984584.db2.gz JZBPYKJSICDDHO-NSHDSACASA-N -1 0 308.338 -0.298 20 0 DBADRM C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000088769743 600993619 /nfs/dbraw/zinc/99/36/19/600993619.db2.gz JPEROHAXVWYFBB-DTWKUNHWSA-N -1 0 307.372 -0.777 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000736380190 601030581 /nfs/dbraw/zinc/03/05/81/601030581.db2.gz FXQFZLIHBMEKLA-VIFPVBQESA-N -1 0 312.330 -0.403 20 0 DBADRM Cn1ccc(N2CCC[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2=O)n1 ZINC000739037534 601044743 /nfs/dbraw/zinc/04/47/43/601044743.db2.gz AZWIPPKYJDKSQQ-AEJSXWLSSA-N -1 0 306.322 -0.248 20 0 DBADRM C/C(=C\CN(C)CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000825730388 601049917 /nfs/dbraw/zinc/04/99/17/601049917.db2.gz WAHXXSHSQXPCSV-RZCNENHTSA-N -1 0 304.368 -0.748 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@@H](CC(=O)OC)C(=O)[O-])c1 ZINC000737550440 601052217 /nfs/dbraw/zinc/05/22/17/601052217.db2.gz JILQSODFIOGFPF-JTQLQIEISA-N -1 0 308.290 -0.208 20 0 DBADRM CNC(=O)Cc1nc(CN(CCOC)CC(=O)[O-])cs1 ZINC000830997195 601055234 /nfs/dbraw/zinc/05/52/34/601055234.db2.gz RZWVHPTUUXFCAM-UHFFFAOYSA-N -1 0 301.368 -0.035 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000829804411 601060320 /nfs/dbraw/zinc/06/03/20/601060320.db2.gz YNMGUJJINBFIDO-UHFFFAOYSA-N -1 0 319.343 -0.972 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000830125273 601065118 /nfs/dbraw/zinc/06/51/18/601065118.db2.gz ACLDQWRQBZKHHK-QMMMGPOBSA-N -1 0 318.355 -0.088 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CC[C@H](N3CCOCC3)C2)n1 ZINC000833274981 601065336 /nfs/dbraw/zinc/06/53/36/601065336.db2.gz DUTYJBCGKLXJHN-NSHDSACASA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@@H](OC(=O)[C@@]12CCC(=O)N1CCS2)C(=O)NCC(=O)[O-] ZINC000827816543 601074455 /nfs/dbraw/zinc/07/44/55/601074455.db2.gz ADMOFTKRBYJCJF-KRTXAFLBSA-N -1 0 316.335 -0.816 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000827355088 601085903 /nfs/dbraw/zinc/08/59/03/601085903.db2.gz IJZVCLPQTGCYTJ-GHMZBOCLSA-N -1 0 318.395 -0.572 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCN2CCCC[C@H]2C1 ZINC000249984447 601099164 /nfs/dbraw/zinc/09/91/64/601099164.db2.gz LZCOCJHUEARLJG-NSHDSACASA-N -1 0 305.400 -0.192 20 0 DBADRM Cc1nc([C@@H]2CN(S(=O)(=O)CCCC(=O)[O-])CCO2)n[nH]1 ZINC000738336897 601107780 /nfs/dbraw/zinc/10/77/80/601107780.db2.gz AQGQESOCVHQJPT-VIFPVBQESA-N -1 0 318.355 -0.319 20 0 DBADRM Cc1nn2cccnc2c1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000833021760 601113398 /nfs/dbraw/zinc/11/33/98/601113398.db2.gz RXCLTOSPBXYEML-MRVPVSSYSA-N -1 0 306.278 -0.216 20 0 DBADRM Cc1nc(NC(=O)c2cn(CC(N)=O)nn2)sc1C(=O)[O-] ZINC000738865814 601115198 /nfs/dbraw/zinc/11/51/98/601115198.db2.gz FMGKVWXVYQZPHP-UHFFFAOYSA-N -1 0 310.295 -0.521 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000736208781 601118774 /nfs/dbraw/zinc/11/87/74/601118774.db2.gz NVSMBEVHDFWJRJ-BDAKNGLRSA-N -1 0 323.353 -0.723 20 0 DBADRM O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)NCCO)C1=O ZINC000833139619 601131317 /nfs/dbraw/zinc/13/13/17/601131317.db2.gz FDIHGYYYEKNZDU-MRVPVSSYSA-N -1 0 313.335 -0.157 20 0 DBADRM O=C([O-])c1ccsc1N1CC[C@H](NC(=O)NCCO)C1=O ZINC000833139626 601131355 /nfs/dbraw/zinc/13/13/55/601131355.db2.gz FDIHGYYYEKNZDU-QMMMGPOBSA-N -1 0 313.335 -0.157 20 0 DBADRM O=C([O-])[C@H](c1ccc(F)cc1)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000833360333 601133698 /nfs/dbraw/zinc/13/36/98/601133698.db2.gz FVVWJBBJRYLFIX-RYUDHWBXSA-N -1 0 321.308 -0.406 20 0 DBADRM O=C([O-])[C@H](c1ccc(F)cc1)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000833360327 601133897 /nfs/dbraw/zinc/13/38/97/601133897.db2.gz FVVWJBBJRYLFIX-NEPJUHHUSA-N -1 0 321.308 -0.406 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCC(NC(N)=O)CC1)C(=O)[O-] ZINC000828718133 601154077 /nfs/dbraw/zinc/15/40/77/601154077.db2.gz LNBAFHLVHWKXJV-SKDRFNHKSA-N -1 0 314.386 -0.265 20 0 DBADRM CCN(C/C=C(\C)C(=O)[O-])CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000829692905 601154136 /nfs/dbraw/zinc/15/41/36/601154136.db2.gz QPIZRSRUTJGBKI-LLMHMKPQSA-N -1 0 318.395 -0.358 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000825875725 601155741 /nfs/dbraw/zinc/15/57/41/601155741.db2.gz KBRHABBQDIPNLS-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM CC(C)c1nnc(CCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])o1 ZINC000827168567 601179369 /nfs/dbraw/zinc/17/93/69/601179369.db2.gz MQFZGFOQKLMEJW-VIFPVBQESA-N -1 0 324.337 -0.073 20 0 DBADRM Cc1nsc(N2CCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC000833024330 601179835 /nfs/dbraw/zinc/17/98/35/601179835.db2.gz ZNQNWQKBUWIKOL-QMMMGPOBSA-N -1 0 313.383 -0.442 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2[C@@H]3CC[C@H]2CNC(=O)C3)CC1 ZINC000833355155 601180849 /nfs/dbraw/zinc/18/08/49/601180849.db2.gz RNRCBJBOSUBEPK-NEPJUHHUSA-N -1 0 309.366 -0.338 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])C1 ZINC000825828251 601190701 /nfs/dbraw/zinc/19/07/01/601190701.db2.gz DTRDEEPTYFZXBO-AMIZOPFISA-N -1 0 300.311 -0.623 20 0 DBADRM NC(=O)Cc1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000833083309 601196946 /nfs/dbraw/zinc/19/69/46/601196946.db2.gz RYJFQNDQWRLXLW-UHFFFAOYSA-N -1 0 303.278 -0.357 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCC(=O)Nc2ccccc2)nn1 ZINC000833122458 601197650 /nfs/dbraw/zinc/19/76/50/601197650.db2.gz ZUINPYSTJXHPNP-UHFFFAOYSA-N -1 0 303.278 -0.269 20 0 DBADRM CCCNC(=O)[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000829508047 601199019 /nfs/dbraw/zinc/19/90/19/601199019.db2.gz NXQATIFRYLGEHJ-JTQLQIEISA-N -1 0 323.353 -0.259 20 0 DBADRM CCN(CC)C(=O)CCCNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000829648644 601200270 /nfs/dbraw/zinc/20/02/70/601200270.db2.gz REUQUFLQKYYEAA-UHFFFAOYSA-N -1 0 311.342 -0.259 20 0 DBADRM COC(=O)c1ccc(-c2nnn(C[C@H](O)CC(=O)[O-])n2)cc1 ZINC000831353706 601208278 /nfs/dbraw/zinc/20/82/78/601208278.db2.gz OWXULGQJWLZQRX-SNVBAGLBSA-N -1 0 306.278 -0.038 20 0 DBADRM Cc1ccccc1S(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000088715454 601208477 /nfs/dbraw/zinc/20/84/77/601208477.db2.gz MFLNDFHBHZBUCW-JTQLQIEISA-N -1 0 312.347 -0.041 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000830987039 601213158 /nfs/dbraw/zinc/21/31/58/601213158.db2.gz DOXKEJUZHDAQEC-UHFFFAOYSA-N -1 0 322.364 -0.131 20 0 DBADRM C[C@@]1(C2CCN(c3ccc(C(=O)[O-])nn3)CC2)NC(=O)NC1=O ZINC000828087556 601213986 /nfs/dbraw/zinc/21/39/86/601213986.db2.gz BLBZSWFJQWPVCY-AWEZNQCLSA-N -1 0 319.321 -0.011 20 0 DBADRM COCCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000831752527 601215332 /nfs/dbraw/zinc/21/53/32/601215332.db2.gz BDQCJYYYMKEAMU-UHFFFAOYSA-N -1 0 320.323 -0.673 20 0 DBADRM CC(=O)N1C[C@H](C(=O)N[C@H](CO)C(=O)[O-])Oc2ccccc21 ZINC000825828874 601215668 /nfs/dbraw/zinc/21/56/68/601215668.db2.gz PSKUXXWCLARKPN-BXKDBHETSA-N -1 0 308.290 -0.638 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000048445724 601223393 /nfs/dbraw/zinc/22/33/93/601223393.db2.gz GCLQUXCAKKGINY-ZETCQYMHSA-N -1 0 316.335 -0.194 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000830991528 601248745 /nfs/dbraw/zinc/24/87/45/601248745.db2.gz BFFUGBRGQOMFHM-UHFFFAOYSA-N -1 0 306.322 -0.716 20 0 DBADRM COC(=O)CC1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000831144686 601256660 /nfs/dbraw/zinc/25/66/60/601256660.db2.gz RAZAHBJZGIATHE-UHFFFAOYSA-N -1 0 322.383 -0.087 20 0 DBADRM CNC(=O)C1CCC(NS(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000830978592 601257286 /nfs/dbraw/zinc/25/72/86/601257286.db2.gz DVTIOCSNWDSBQJ-UHFFFAOYSA-N -1 0 321.399 -0.468 20 0 DBADRM CCOC(=O)CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000045701829 601257461 /nfs/dbraw/zinc/25/74/61/601257461.db2.gz YLAHGBNZFWBRIU-UHFFFAOYSA-N -1 0 308.356 -0.429 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1 ZINC000830735631 601257978 /nfs/dbraw/zinc/25/79/78/601257978.db2.gz UPGNJWHPHLOXPM-UHFFFAOYSA-N -1 0 315.342 -0.480 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)CC(=O)OC(C)(C)C ZINC000830726907 601258307 /nfs/dbraw/zinc/25/83/07/601258307.db2.gz AJBASQZNGYONFN-UHFFFAOYSA-N -1 0 310.372 -0.089 20 0 DBADRM COCCCS(=O)(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000831705525 601258370 /nfs/dbraw/zinc/25/83/70/601258370.db2.gz PQUOKYKWFOMELI-LLVKDONJSA-N -1 0 308.400 -0.167 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CCCC(=O)[O-])C[C@H]1N1CCOCC1 ZINC000828470674 601258555 /nfs/dbraw/zinc/25/85/55/601258555.db2.gz IGGDIRQGAZLZPX-VXGBXAGGSA-N -1 0 320.411 -0.167 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC(=O)Nc1cccnc1 ZINC000830742628 601258711 /nfs/dbraw/zinc/25/87/11/601258711.db2.gz JMNOJRFCOVHNOA-UHFFFAOYSA-N -1 0 316.339 -0.739 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000827386931 601259263 /nfs/dbraw/zinc/25/92/63/601259263.db2.gz ZCVVZHKPIRUCJZ-RYUDHWBXSA-N -1 0 320.411 -0.024 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000827385971 601260091 /nfs/dbraw/zinc/26/00/91/601260091.db2.gz PVNQHKNNLIPYRE-LLVKDONJSA-N -1 0 305.400 -0.192 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)N(C)C2CC2)CC1 ZINC000827386813 601260264 /nfs/dbraw/zinc/26/02/64/601260264.db2.gz YBZMXHGDWOPYDZ-JTQLQIEISA-N -1 0 305.400 -0.194 20 0 DBADRM CNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000232280425 601260333 /nfs/dbraw/zinc/26/03/33/601260333.db2.gz CGTUZHQVEWYULR-SECBINFHSA-N -1 0 307.372 -0.904 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000831643308 601260635 /nfs/dbraw/zinc/26/06/35/601260635.db2.gz FYGAYAXJJBQHSU-GHMZBOCLSA-N -1 0 308.400 -0.168 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@@H]1Cn1cncn1 ZINC000830735308 601261627 /nfs/dbraw/zinc/26/16/27/601261627.db2.gz OEAAHXMMHKOQQN-SNVBAGLBSA-N -1 0 317.371 -0.606 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(C)(C)C ZINC000831077857 601262362 /nfs/dbraw/zinc/26/23/62/601262362.db2.gz CXZVGOLLRVQGIS-VIFPVBQESA-N -1 0 310.372 -0.185 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000830742574 601262702 /nfs/dbraw/zinc/26/27/02/601262702.db2.gz GFXHLOHCCZKUDS-IUCAKERBSA-N -1 0 307.372 -0.729 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@@H]1Cn1cccn1 ZINC000830734321 601262827 /nfs/dbraw/zinc/26/28/27/601262827.db2.gz CHZKWTXEFOPJIK-LLVKDONJSA-N -1 0 316.383 -0.001 20 0 DBADRM C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000828422036 601263162 /nfs/dbraw/zinc/26/31/62/601263162.db2.gz HQGYMEHFKQVTDJ-QWRGUYRKSA-N -1 0 307.416 -0.090 20 0 DBADRM NC(=O)C[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000761313248 601263560 /nfs/dbraw/zinc/26/35/60/601263560.db2.gz NCVBPKNVCGELKS-MRVPVSSYSA-N -1 0 315.351 -0.011 20 0 DBADRM CCc1nncn1CCNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000830339133 601263895 /nfs/dbraw/zinc/26/38/95/601263895.db2.gz PCSQEDLNMNCHES-UHFFFAOYSA-N -1 0 305.360 -0.919 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])CC1=O ZINC000828201307 601263960 /nfs/dbraw/zinc/26/39/60/601263960.db2.gz QXYSPQRVYYIFOT-UTLUCORTSA-N -1 0 319.383 -0.763 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cnc2c(cnn2C)c1 ZINC000831170922 601269849 /nfs/dbraw/zinc/26/98/49/601269849.db2.gz VKCSGLROEKHMEJ-UHFFFAOYSA-N -1 0 306.278 -0.332 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000826652015 601272624 /nfs/dbraw/zinc/27/26/24/601272624.db2.gz RWZMTYIJHPWJCH-UHFFFAOYSA-N -1 0 309.326 -0.697 20 0 DBADRM CCC1CCC(NC(=O)c2cn(CC(N)=O)nn2)(C(=O)[O-])CC1 ZINC000829101228 601277337 /nfs/dbraw/zinc/27/73/37/601277337.db2.gz JZGPKITYWHEKQT-UHFFFAOYSA-N -1 0 323.353 -0.083 20 0 DBADRM COC(=O)c1cn(CC(=O)NC2(C(=O)[O-])CCCCC2)nn1 ZINC000820689494 601277474 /nfs/dbraw/zinc/27/74/74/601277474.db2.gz PAZRSIVXTIXMIY-UHFFFAOYSA-N -1 0 310.310 -0.032 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC000831144818 601277814 /nfs/dbraw/zinc/27/78/14/601277814.db2.gz TWJKESLGDCPJQD-JTQLQIEISA-N -1 0 321.289 -0.717 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000825839174 601278115 /nfs/dbraw/zinc/27/81/15/601278115.db2.gz AHVZMZVLJGGEML-UHFFFAOYSA-N -1 0 320.349 -0.326 20 0 DBADRM O=C([O-])c1cn(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)nn1 ZINC000833121000 601280435 /nfs/dbraw/zinc/28/04/35/601280435.db2.gz MONXBROHYCNCKX-UHFFFAOYSA-N -1 0 314.265 -0.205 20 0 DBADRM C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)[C@@H](C)N1CCOCC1 ZINC000827637962 601282218 /nfs/dbraw/zinc/28/22/18/601282218.db2.gz YZPLSGUHKFXTMN-NXEZZACHSA-N -1 0 311.342 -0.798 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)c1cnn(C)c1N)C(=O)[O-] ZINC000826792623 601282491 /nfs/dbraw/zinc/28/24/91/601282491.db2.gz CNXZAEZDZXUIKP-SECBINFHSA-N -1 0 312.326 -0.225 20 0 DBADRM COC(=O)C1CCC(NC(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000831099027 601283171 /nfs/dbraw/zinc/28/31/71/601283171.db2.gz CMWXXWFQNPDYEF-UHFFFAOYSA-N -1 0 310.310 -0.176 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)n[nH]1 ZINC000833269130 601285821 /nfs/dbraw/zinc/28/58/21/601285821.db2.gz BUJCZYIYYISZRF-ZCFIWIBFSA-N -1 0 319.281 -0.854 20 0 DBADRM COC(=O)c1cn(CC(=O)NCc2ccc(C(=O)[O-])o2)nn1 ZINC000831462274 601286739 /nfs/dbraw/zinc/28/67/39/601286739.db2.gz XYRGGSUNZQJXCO-UHFFFAOYSA-N -1 0 308.250 -0.328 20 0 DBADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000828142997 601287958 /nfs/dbraw/zinc/28/79/58/601287958.db2.gz LJAVWZLAFVRVLD-UWCLWIGYSA-N -1 0 300.340 -0.656 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000828142992 601288168 /nfs/dbraw/zinc/28/81/68/601288168.db2.gz LJAVWZLAFVRVLD-SMPFOWEGSA-N -1 0 300.340 -0.656 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCCOC2CCOCC2)nn1 ZINC000833120901 601289434 /nfs/dbraw/zinc/28/94/34/601289434.db2.gz UEUQKDQLXHZDFZ-UHFFFAOYSA-N -1 0 312.326 -0.322 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCCOC[C@H]2CCOC2)nn1 ZINC000833120508 601289621 /nfs/dbraw/zinc/28/96/21/601289621.db2.gz ABZYNTDWMCGGBS-SNVBAGLBSA-N -1 0 312.326 -0.464 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC(=O)Nc3cnccc32)nn1 ZINC000833358613 601290826 /nfs/dbraw/zinc/29/08/26/601290826.db2.gz MURVVNLNXHBRHG-UHFFFAOYSA-N -1 0 302.250 -0.643 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@H]1N1CCOCC1 ZINC000828348251 601290976 /nfs/dbraw/zinc/29/09/76/601290976.db2.gz ILNRFBPVCPHGEG-CMPLNLGQSA-N -1 0 323.353 -0.845 20 0 DBADRM Cn1cc(C[C@H]2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)C2)cn1 ZINC000833044451 601291690 /nfs/dbraw/zinc/29/16/90/601291690.db2.gz YVRBXLNXNGDRFZ-SNVBAGLBSA-N -1 0 318.337 -0.199 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CCN1CCCS1(=O)=O ZINC000262181687 601294774 /nfs/dbraw/zinc/29/47/74/601294774.db2.gz XSIWRPBHTKHGMC-GFCCVEGCSA-N -1 0 322.383 -0.592 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000831544878 601296911 /nfs/dbraw/zinc/29/69/11/601296911.db2.gz JZRPDLMYTXCZDL-YMTOWFKASA-N -1 0 324.337 -0.241 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CS(=O)(=O)NC(C)(C)C ZINC000831553859 601299949 /nfs/dbraw/zinc/29/99/49/601299949.db2.gz DLQOZJSUAHHUJW-GFCCVEGCSA-N -1 0 324.399 -0.300 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@@](C)(COC)CC(=O)[O-] ZINC000262107095 601303104 /nfs/dbraw/zinc/30/31/04/601303104.db2.gz NQOIWAOODHDEOU-GFCCVEGCSA-N -1 0 324.399 -0.346 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC000818368933 601312278 /nfs/dbraw/zinc/31/22/78/601312278.db2.gz QDUVBJHSMDTOHX-QMMMGPOBSA-N -1 0 310.314 -0.695 20 0 DBADRM O=C([O-])[C@@H]1CN(CC(=O)NCC(=O)c2ccccc2)CCO1 ZINC000819153729 601314736 /nfs/dbraw/zinc/31/47/36/601314736.db2.gz LLRMGYUMGAUPKW-ZDUSSCGKSA-N -1 0 306.318 -0.229 20 0 DBADRM O=C([O-])CC1(NC(=O)CCN2CCOC2=O)CCOCC1 ZINC000833202801 601331036 /nfs/dbraw/zinc/33/10/36/601331036.db2.gz NUBVOKNDQJLDBZ-UHFFFAOYSA-N -1 0 300.311 -0.031 20 0 DBADRM CNS(=O)(=O)CC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000831024887 601340829 /nfs/dbraw/zinc/34/08/29/601340829.db2.gz KAOCVJPEMXPOOP-UHFFFAOYSA-N -1 0 302.308 -0.362 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)c1=O ZINC000833037573 601342179 /nfs/dbraw/zinc/34/21/79/601342179.db2.gz HCOGXHIEDHWRRT-SECBINFHSA-N -1 0 304.262 -0.563 20 0 DBADRM CNS(=O)(=O)CC(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000831025701 601342220 /nfs/dbraw/zinc/34/22/20/601342220.db2.gz VTHGRUOAGAFKCR-UHFFFAOYSA-N -1 0 316.335 -0.571 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)NC[C@H](O)C2CC2)c1 ZINC000833261918 601353831 /nfs/dbraw/zinc/35/38/31/601353831.db2.gz RXGJBWSJWNKRTM-LBPRGKRZSA-N -1 0 322.317 -0.024 20 0 DBADRM C[C@H](CCO)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000827417472 601364778 /nfs/dbraw/zinc/36/47/78/601364778.db2.gz JTTAEUWMKQTONP-BXKDBHETSA-N -1 0 322.317 -0.248 20 0 DBADRM COC[C@H](CCO)NC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC000831651430 601365597 /nfs/dbraw/zinc/36/55/97/601365597.db2.gz YYYROJWWWBSGOW-ZETCQYMHSA-N -1 0 316.335 -0.102 20 0 DBADRM CS(=O)(=O)CCNC(=S)N1CCO[C@H](CC(=O)[O-])C1 ZINC000832670523 601368018 /nfs/dbraw/zinc/36/80/18/601368018.db2.gz UYHKPDVIHYCRJF-MRVPVSSYSA-N -1 0 310.397 -0.919 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)n2cc(C(=O)[O-])ccc2=O)CC1 ZINC000825839266 601373117 /nfs/dbraw/zinc/37/31/17/601373117.db2.gz CKGZXJFKJQKBOJ-JTQLQIEISA-N -1 0 321.333 -0.202 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CN2CCO[C@H](CC(=O)[O-])C2)C1=O ZINC000828089369 601373736 /nfs/dbraw/zinc/37/37/36/601373736.db2.gz VVUGPEQEKRUHLM-YGRLFVJLSA-N -1 0 311.338 -0.160 20 0 DBADRM CC(C)N1C(=O)C(=O)N(CN2CCO[C@H](CC(=O)[O-])C2)C1=O ZINC000826956236 601374718 /nfs/dbraw/zinc/37/47/18/601374718.db2.gz IPUKGANEXCKANV-SECBINFHSA-N -1 0 313.310 -0.681 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000320631879 601386281 /nfs/dbraw/zinc/38/62/81/601386281.db2.gz BVHSZBAYLJDBCY-NEPJUHHUSA-N -1 0 311.382 -0.232 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C1CC1 ZINC000831084453 601389073 /nfs/dbraw/zinc/38/90/73/601389073.db2.gz LDOULTUURZVVTL-JTQLQIEISA-N -1 0 317.323 -0.802 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)C[C@@H](C)O1 ZINC000828473516 601389858 /nfs/dbraw/zinc/38/98/58/601389858.db2.gz XBFHCSVWVSATGP-KKZNHRDASA-N -1 0 310.347 -0.161 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000234365031 601395382 /nfs/dbraw/zinc/39/53/82/601395382.db2.gz MHOZNRIMLAFLAF-VIFPVBQESA-N -1 0 321.399 -0.658 20 0 DBADRM CNC(=O)[C@H](C)CN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000234381030 601395635 /nfs/dbraw/zinc/39/56/35/601395635.db2.gz MHOZNRIMLAFLAF-SECBINFHSA-N -1 0 321.399 -0.658 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)c[nH]1 ZINC000091753378 601401624 /nfs/dbraw/zinc/40/16/24/601401624.db2.gz PPNDUXTWOPKLNH-SSDOTTSWSA-N -1 0 314.323 -0.889 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N(CC(=O)[O-])C2CC2)cn1 ZINC000776668600 601402464 /nfs/dbraw/zinc/40/24/64/601402464.db2.gz QAOHKYTYOQVQTQ-UHFFFAOYSA-N -1 0 317.323 -0.706 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)N2CCO[C@@H](CO)C2)n1 ZINC000833270033 601404336 /nfs/dbraw/zinc/40/43/36/601404336.db2.gz VPQXIMLVHBLDQE-MRVPVSSYSA-N -1 0 301.324 -0.005 20 0 DBADRM C/C(=C\COC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC000825774762 601409528 /nfs/dbraw/zinc/40/95/28/601409528.db2.gz HINSHXDFMFOHJS-XVNBXDOJSA-N -1 0 302.308 -0.140 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCN2C(=O)CNC2=O)CCCC1 ZINC000833137530 601417451 /nfs/dbraw/zinc/41/74/51/601417451.db2.gz CSZHICRHZFBJPR-UHFFFAOYSA-N -1 0 312.326 -0.518 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCN(c2cnn(C)c2)C(=O)C1 ZINC000830692944 601424312 /nfs/dbraw/zinc/42/43/12/601424312.db2.gz VHDXHSNTNNYEPE-UHFFFAOYSA-N -1 0 323.353 -0.998 20 0 DBADRM O=C(CN1CCO[C@@H](CO)C1)NC1(C(=O)[O-])CCCCC1 ZINC000833107908 601426330 /nfs/dbraw/zinc/42/63/30/601426330.db2.gz IUTXEDHTBXDEJV-LLVKDONJSA-N -1 0 300.355 -0.417 20 0 DBADRM C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000825982646 601437399 /nfs/dbraw/zinc/43/73/99/601437399.db2.gz JGWBYRLLWYQCNI-OTYXRUKQSA-N -1 0 315.345 -0.403 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000825982645 601437546 /nfs/dbraw/zinc/43/75/46/601437546.db2.gz JGWBYRLLWYQCNI-LKFCYVNXSA-N -1 0 315.345 -0.403 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000825983392 601440094 /nfs/dbraw/zinc/44/00/94/601440094.db2.gz XJNRFCNAKYPABR-ISTVAULSSA-N -1 0 315.345 -0.403 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CC[C@@](F)(C(=O)[O-])C2)CC1 ZINC000825842020 601441411 /nfs/dbraw/zinc/44/14/11/601441411.db2.gz YPQXGQCWKCOMJV-ZDUSSCGKSA-N -1 0 301.318 -0.824 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000825972150 601442335 /nfs/dbraw/zinc/44/23/35/601442335.db2.gz LMSNTVFIWSFOGN-LKFCYVNXSA-N -1 0 315.345 -0.390 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000825972152 601442387 /nfs/dbraw/zinc/44/23/87/601442387.db2.gz LMSNTVFIWSFOGN-XPTSAGLGSA-N -1 0 315.345 -0.390 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000826001779 601443220 /nfs/dbraw/zinc/44/32/20/601443220.db2.gz ZMIKBOMDJGGZLQ-PTRXPTGYSA-N -1 0 322.358 -0.823 20 0 DBADRM CCOC(=O)CCCNC(=O)CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000829843330 601446183 /nfs/dbraw/zinc/44/61/83/601446183.db2.gz SUZOUFFUCROTEG-ZDUSSCGKSA-N -1 0 304.318 -0.056 20 0 DBADRM O=C([O-])C[C@@H]1CN(C[C@@H](O)COC[C@H]2CCCO2)CCO1 ZINC000833222613 601454605 /nfs/dbraw/zinc/45/46/05/601454605.db2.gz SBKAEPMTTKTBJU-JHJVBQTASA-N -1 0 303.355 -0.282 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCCO1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000826005615 601455559 /nfs/dbraw/zinc/45/55/59/601455559.db2.gz ZEDFXEVAHRYNKR-IJLUTSLNSA-N -1 0 300.355 -0.154 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](CO)C2)cc1C(=O)[O-] ZINC000832937562 601455992 /nfs/dbraw/zinc/45/59/92/601455992.db2.gz SCKDZGLMFPJZQV-LLVKDONJSA-N -1 0 322.317 -0.149 20 0 DBADRM CC(C)CNC(=O)NC(=O)CN1CCO[C@@H](CC(=O)[O-])C1 ZINC000091296375 601456785 /nfs/dbraw/zinc/45/67/85/601456785.db2.gz VOGLPGQMDBXINE-JTQLQIEISA-N -1 0 301.343 -0.356 20 0 DBADRM O=C([O-])C[C@H]1CN([C@@H]2CCN(C3CCOCC3)C2=O)CCO1 ZINC000833221985 601457096 /nfs/dbraw/zinc/45/70/96/601457096.db2.gz OPSVXIKCTMFZAT-QWHCGFSZSA-N -1 0 312.366 -0.058 20 0 DBADRM Cn1cc(N2CC[C@@H](N3CCO[C@@H](CC(=O)[O-])C3)C2=O)cn1 ZINC000833045662 601461103 /nfs/dbraw/zinc/46/11/03/601461103.db2.gz FWTUCXVIOFMYBN-NWDGAFQWSA-N -1 0 308.338 -0.299 20 0 DBADRM CCCNC(=O)CN(C)C(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000829513811 601464990 /nfs/dbraw/zinc/46/49/90/601464990.db2.gz RLTAYRXZAOWDSL-BDAKNGLRSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CCCNC(=O)C1 ZINC000819585921 601470445 /nfs/dbraw/zinc/47/04/45/601470445.db2.gz KRVZUOKQPPYZOK-UHFFFAOYSA-N -1 0 319.317 -0.399 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000819111312 601470745 /nfs/dbraw/zinc/47/07/45/601470745.db2.gz QUBVZNPUOOOFDL-SNVBAGLBSA-N -1 0 319.317 -0.414 20 0 DBADRM CC[C@@](C)(CC(=O)[O-])NC(=S)NCCNS(C)(=O)=O ZINC000828652749 601472754 /nfs/dbraw/zinc/47/27/54/601472754.db2.gz RMYRPHOSOJOUBM-JTQLQIEISA-N -1 0 311.429 -0.357 20 0 DBADRM CN1CCC[C@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1=O ZINC000704305856 601478326 /nfs/dbraw/zinc/47/83/26/601478326.db2.gz HEEYEQWUWZZFAU-QMMMGPOBSA-N -1 0 301.324 -0.388 20 0 DBADRM O=C([O-])C[C@@H]1CN(C[C@@H](O)COC2CCOCC2)CCO1 ZINC000833221658 601484232 /nfs/dbraw/zinc/48/42/32/601484232.db2.gz MCXUXYFZOKPZCX-DGCLKSJQSA-N -1 0 303.355 -0.282 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)n(C)n1 ZINC000830223989 601490824 /nfs/dbraw/zinc/49/08/24/601490824.db2.gz CUNXDTJJWBYNLA-SNVBAGLBSA-N -1 0 324.337 -0.377 20 0 DBADRM Cc1noc(C)c1NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000833022806 601490920 /nfs/dbraw/zinc/49/09/20/601490920.db2.gz HNKMDMVQIBQGOJ-VIFPVBQESA-N -1 0 311.294 -0.068 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818486434 601496628 /nfs/dbraw/zinc/49/66/28/601496628.db2.gz YOELNDFMRXJPOI-MRVPVSSYSA-N -1 0 307.306 -0.497 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1sccc1C(=O)[O-])C(=O)N(C)C ZINC000832803133 601496900 /nfs/dbraw/zinc/49/69/00/601496900.db2.gz IULSDTHMZBJZLE-ZCFIWIBFSA-N -1 0 313.335 -0.022 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1)C(=O)N(C)C ZINC000832803805 601497003 /nfs/dbraw/zinc/49/70/03/601497003.db2.gz ZIQKMHCLBXRSQK-SECBINFHSA-N -1 0 321.333 -0.155 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1)C(=O)N(C)C ZINC000832803810 601497048 /nfs/dbraw/zinc/49/70/48/601497048.db2.gz ZSYQZADCSNSQPK-MRVPVSSYSA-N -1 0 307.306 -0.084 20 0 DBADRM CC(C)[C@@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000032074968 601497249 /nfs/dbraw/zinc/49/72/49/601497249.db2.gz CBRMQKUAKNRQCW-MWLCHTKSSA-N -1 0 306.384 -0.669 20 0 DBADRM CC(C)[C@@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000817937902 601497812 /nfs/dbraw/zinc/49/78/12/601497812.db2.gz CBRMQKUAKNRQCW-GXSJLCMTSA-N -1 0 306.384 -0.669 20 0 DBADRM CN(CC(=O)NC1CC1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830674928 601505628 /nfs/dbraw/zinc/50/56/28/601505628.db2.gz YSJLHRUEJDIUOC-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM CNC(=O)[C@@H]1CCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830984201 601508596 /nfs/dbraw/zinc/50/85/96/601508596.db2.gz KEWKWGVZXFPAOR-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CC[C@@H]1C(=O)NCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000829076037 601513754 /nfs/dbraw/zinc/51/37/54/601513754.db2.gz ZKGVEBWDSDMGSJ-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830975753 601520162 /nfs/dbraw/zinc/52/01/62/601520162.db2.gz RBEBSAIWQHPOPI-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM CCN1CCN(CC(=O)N[C@H](CC(=O)[O-])C2CC2)C(=O)C1=O ZINC000829775827 601533571 /nfs/dbraw/zinc/53/35/71/601533571.db2.gz CJYNGGFTKMRFEZ-SNVBAGLBSA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([O-])C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C1CC1 ZINC000833198089 601535648 /nfs/dbraw/zinc/53/56/48/601535648.db2.gz WQXZCBPJEPUCIN-JTQLQIEISA-N -1 0 304.368 -0.914 20 0 DBADRM CN(CC(=O)NCCC(=O)[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000830674620 601537749 /nfs/dbraw/zinc/53/77/49/601537749.db2.gz OOCXGEGEHTYBKI-QWRGUYRKSA-N -1 0 320.411 -0.135 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)Cn1nnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000828728098 601546260 /nfs/dbraw/zinc/54/62/60/601546260.db2.gz HGYRAMKTANJYAR-XCBNKYQSSA-N -1 0 322.325 -0.860 20 0 DBADRM CC(C)C[C@H](NC(=O)Cn1nnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000826793008 601546343 /nfs/dbraw/zinc/54/63/43/601546343.db2.gz JVJRLXIMLATVSI-VIFPVBQESA-N -1 0 322.325 -0.860 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828421504 601550604 /nfs/dbraw/zinc/55/06/04/601550604.db2.gz GIOQNBMFNPSBHA-DBIOUOCHSA-N -1 0 318.395 -0.669 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000833236238 601550839 /nfs/dbraw/zinc/55/08/39/601550839.db2.gz ABXITXDSQXKHOH-WDEREUQCSA-N -1 0 318.395 -0.381 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828421502 601551047 /nfs/dbraw/zinc/55/10/47/601551047.db2.gz GIOQNBMFNPSBHA-CHWFTXMASA-N -1 0 318.395 -0.669 20 0 DBADRM NC(=O)c1ccc(CNC(=O)Nc2ccn(CC(=O)[O-])n2)cn1 ZINC000833085129 601552690 /nfs/dbraw/zinc/55/26/90/601552690.db2.gz GNXWUZAOEQZKNV-UHFFFAOYSA-N -1 0 318.293 -0.217 20 0 DBADRM COc1cc(C(=O)NCCC(=O)[O-])sc1S(N)(=O)=O ZINC000818558004 601552885 /nfs/dbraw/zinc/55/28/85/601552885.db2.gz NKYBPBLQKXKBIV-UHFFFAOYSA-N -1 0 308.337 -0.391 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@](F)(C(=O)[O-])C2)C1 ZINC000825870760 601555817 /nfs/dbraw/zinc/55/58/17/601555817.db2.gz BRKOGVBSHLXKJN-BXUZGUMPSA-N -1 0 315.345 -0.388 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1 ZINC000833085549 601556524 /nfs/dbraw/zinc/55/65/24/601556524.db2.gz SPURBSXETYZBEX-SNVBAGLBSA-N -1 0 322.321 -0.434 20 0 DBADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1C[C@H](O)C[C@H](O)C1 ZINC000826009066 601557100 /nfs/dbraw/zinc/55/71/00/601557100.db2.gz QOJWPKMPQMXJNH-LEWSCRJBSA-N -1 0 322.361 -0.183 20 0 DBADRM COC(=O)CCCc1nc(CN2CCOC[C@H]2C(=O)[O-])no1 ZINC000831155281 601562736 /nfs/dbraw/zinc/56/27/36/601562736.db2.gz JRQODVUCCPLTBY-VIFPVBQESA-N -1 0 313.310 -0.149 20 0 DBADRM COc1cccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])n1 ZINC000832518486 601565729 /nfs/dbraw/zinc/56/57/29/601565729.db2.gz GYLCSTLGTVUBOM-UHFFFAOYSA-N -1 0 323.349 -0.051 20 0 DBADRM C[C@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000827967123 601569840 /nfs/dbraw/zinc/56/98/40/601569840.db2.gz ZLRMOBYIKWTADI-BDAKNGLRSA-N -1 0 310.358 -0.244 20 0 DBADRM C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000827967132 601569850 /nfs/dbraw/zinc/56/98/50/601569850.db2.gz ZLRMOBYIKWTADI-IUCAKERBSA-N -1 0 310.358 -0.244 20 0 DBADRM O=C([O-])CN(CC(=O)N1CCN(c2cnccn2)CC1)C1CC1 ZINC000833247336 601580781 /nfs/dbraw/zinc/58/07/81/601580781.db2.gz GGIOKVXTODLDRV-UHFFFAOYSA-N -1 0 319.365 -0.326 20 0 DBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])CS2 ZINC000088374369 601609065 /nfs/dbraw/zinc/60/90/65/601609065.db2.gz IDGQKVULIAPYMU-KKFJDGPESA-N -1 0 314.363 -0.248 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)Cn1c(=O)cnc2ccccc21 ZINC000833193341 601610330 /nfs/dbraw/zinc/61/03/30/601610330.db2.gz XMNLOAVNBWBIDT-LBPRGKRZSA-N -1 0 317.301 -0.292 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)Cn1c(=O)cnc2ccccc21 ZINC000833193340 601610339 /nfs/dbraw/zinc/61/03/39/601610339.db2.gz XMNLOAVNBWBIDT-GFCCVEGCSA-N -1 0 317.301 -0.292 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCCC(=O)[O-] ZINC000262769166 601639977 /nfs/dbraw/zinc/63/99/77/601639977.db2.gz TYDYEXIXPYHKCA-MRVPVSSYSA-N -1 0 318.355 -0.932 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N2CC[C@](F)(C(=O)[O-])C2)C1=O ZINC000830912990 601657086 /nfs/dbraw/zinc/65/70/86/601657086.db2.gz HXCIDLXKIZXADV-CYBMUJFWSA-N -1 0 315.301 -0.314 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000390317784 601660107 /nfs/dbraw/zinc/66/01/07/601660107.db2.gz HTMOYKOXHKBQOJ-DTWKUNHWSA-N -1 0 307.372 -0.712 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000231020694 601660314 /nfs/dbraw/zinc/66/03/14/601660314.db2.gz GHDQGFZEYBPIRJ-RKDXNWHRSA-N -1 0 307.372 -0.712 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC(C)(C)C(=O)[O-] ZINC000827760647 601660696 /nfs/dbraw/zinc/66/06/96/601660696.db2.gz MLNAWFDMCFZAER-SSDOTTSWSA-N -1 0 318.355 -0.934 20 0 DBADRM C[C@H]1CN(C(=O)NCCCN2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC000828354137 601660853 /nfs/dbraw/zinc/66/08/53/601660853.db2.gz GATZYUGLGXMADG-DTWKUNHWSA-N -1 0 312.326 -0.710 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CC[C@@](F)(C(=O)[O-])C1)c2=O ZINC000833062214 601660869 /nfs/dbraw/zinc/66/08/69/601660869.db2.gz LFFINJWYGVKAGS-ZDUSSCGKSA-N -1 0 323.284 -0.845 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)CCO1 ZINC000833215927 601667277 /nfs/dbraw/zinc/66/72/77/601667277.db2.gz DYAGLPVEPJNJHI-SECBINFHSA-N -1 0 313.310 -0.980 20 0 DBADRM COC(=O)CSCCC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000831185243 601667827 /nfs/dbraw/zinc/66/78/27/601667827.db2.gz QHJGFUUKFCJTQL-SECBINFHSA-N -1 0 305.352 -0.015 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)CCO1 ZINC000833216133 601668437 /nfs/dbraw/zinc/66/84/37/601668437.db2.gz GRXFZUGXNOVUOK-LLVKDONJSA-N -1 0 314.338 -0.673 20 0 DBADRM COCCN1C[C@H](C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1=O ZINC000316999234 601670785 /nfs/dbraw/zinc/67/07/85/601670785.db2.gz QNQHVADQRABUSE-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)[C@]23CCC(=O)N2CCS3)CCO1 ZINC000833215612 601671032 /nfs/dbraw/zinc/67/10/32/601671032.db2.gz PUCSEZIBEQNPMR-NOZJJQNGSA-N -1 0 314.363 -0.246 20 0 DBADRM COC[C@@](C)(NC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)[O-] ZINC000262076083 601697445 /nfs/dbraw/zinc/69/74/45/601697445.db2.gz CZCKPLHFVZGISP-CQSZACIVSA-N -1 0 319.321 -0.054 20 0 DBADRM COC[C@](C)(NC(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000262300728 601698099 /nfs/dbraw/zinc/69/80/99/601698099.db2.gz XJHUQLWAMAFFNR-ZDUSSCGKSA-N -1 0 305.294 -0.118 20 0 DBADRM COC[C@](C)(NC(=O)c1cnc2sccn2c1=O)C(=O)[O-] ZINC000262225785 601698601 /nfs/dbraw/zinc/69/86/01/601698601.db2.gz NEVOOHBDDPWQGT-LBPRGKRZSA-N -1 0 311.319 -0.025 20 0 DBADRM COCCn1cc(C(=O)N[C@](C)(COC)C(=O)[O-])ccc1=O ZINC000831800183 601698627 /nfs/dbraw/zinc/69/86/27/601698627.db2.gz GYJGYTJCJDDKNW-CQSZACIVSA-N -1 0 312.322 -0.286 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1)C(C)C ZINC000831540978 601700678 /nfs/dbraw/zinc/70/06/78/601700678.db2.gz IKYAXIJIYNGMAF-SCVCMEIPSA-N -1 0 300.355 -0.047 20 0 DBADRM COC[C@](C)(NC(=O)Cn1cnc2c1ncnc2N)C(=O)[O-] ZINC000831613622 601700907 /nfs/dbraw/zinc/70/09/07/601700907.db2.gz YYTBUVOADWFFLH-LBPRGKRZSA-N -1 0 308.298 -0.986 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000826717910 601705640 /nfs/dbraw/zinc/70/56/40/601705640.db2.gz XFYHSKHXZLBCNM-GUBZILKMSA-N -1 0 306.384 -0.261 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000833092256 601709416 /nfs/dbraw/zinc/70/94/16/601709416.db2.gz VFTFNVOMDJVJHX-SDBXPKJASA-N -1 0 310.285 -0.212 20 0 DBADRM CCO[C@@H]1C[C@H]1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000829931632 601715645 /nfs/dbraw/zinc/71/56/45/601715645.db2.gz RNTTZORRMSERMV-RKDXNWHRSA-N -1 0 305.352 -0.440 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000833192160 601720488 /nfs/dbraw/zinc/72/04/88/601720488.db2.gz PSEWRNWTURAYNH-SCZZXKLOSA-N -1 0 308.294 -0.925 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000262028834 601725634 /nfs/dbraw/zinc/72/56/34/601725634.db2.gz ANVVKGGGYIUZDV-GFCCVEGCSA-N -1 0 307.368 -0.049 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCCNC(=O)C2CCC2)nn1 ZINC000833120829 601736394 /nfs/dbraw/zinc/73/63/94/601736394.db2.gz QMHGBJXFDPFKPU-UHFFFAOYSA-N -1 0 309.326 -0.601 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)N[C@@]2(C(=O)[O-])CCOC2)C1=O ZINC000387733159 601737378 /nfs/dbraw/zinc/73/73/78/601737378.db2.gz VDROVPRYIJTCDV-OLZOCXBDSA-N -1 0 313.310 -0.933 20 0 DBADRM CC[C@@H](NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C(=O)[O-] ZINC000818282733 601753377 /nfs/dbraw/zinc/75/33/77/601753377.db2.gz JMUZANBWAIIIBB-ZCFIWIBFSA-N -1 0 323.309 -0.726 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000833056041 601759257 /nfs/dbraw/zinc/75/92/57/601759257.db2.gz VABBXFZCFXVNEK-LLVKDONJSA-N -1 0 319.314 -0.689 20 0 DBADRM C[C@H]1CN(C(=S)NCCN2CCOCC2)C[C@H]1C(=O)[O-] ZINC000828412808 601764977 /nfs/dbraw/zinc/76/49/77/601764977.db2.gz OKQCSTQWOCYDBT-WDEREUQCSA-N -1 0 301.412 -0.154 20 0 DBADRM Cc1nc(SCCC(=O)N[C@@]2(C(=O)[O-])CCOC2)n[nH]1 ZINC000833021116 601766616 /nfs/dbraw/zinc/76/66/16/601766616.db2.gz HWEDSWRICMGGRU-NSHDSACASA-N -1 0 300.340 -0.045 20 0 DBADRM CN(C)C(=O)CCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000390221826 601769263 /nfs/dbraw/zinc/76/92/63/601769263.db2.gz DUDSMNUHTUOGJM-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000829618777 601770916 /nfs/dbraw/zinc/77/09/16/601770916.db2.gz HKDCMISJAKAFBF-RKDXNWHRSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@H](CS(=O)(=O)NCC(=O)NCc1ccco1)C(=O)[O-] ZINC000827559825 601772302 /nfs/dbraw/zinc/77/23/02/601772302.db2.gz YJLGNGXIEIHZEE-MRVPVSSYSA-N -1 0 304.324 -0.464 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)CC2 ZINC000833006094 601773212 /nfs/dbraw/zinc/77/32/12/601773212.db2.gz BFLWZRNMNIZXOX-QWRGUYRKSA-N -1 0 323.353 -0.214 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCCCN2CCOC2=O)CCO1 ZINC000833216656 601773296 /nfs/dbraw/zinc/77/32/96/601773296.db2.gz AZTUKUMAHHGUNE-SNVBAGLBSA-N -1 0 315.326 -0.286 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000827546240 601774764 /nfs/dbraw/zinc/77/47/64/601774764.db2.gz JIHUHSNWIOFSOV-VIFPVBQESA-N -1 0 307.372 -0.664 20 0 DBADRM CC(C)CN1CCO[C@H](CNS(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC000826886122 601774897 /nfs/dbraw/zinc/77/48/97/601774897.db2.gz QFCFUQXJQNMWPG-VXGBXAGGSA-N -1 0 322.427 -0.017 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000091298408 601774944 /nfs/dbraw/zinc/77/49/44/601774944.db2.gz FZBXFUOLMWXXOM-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000827546236 601775017 /nfs/dbraw/zinc/77/50/17/601775017.db2.gz JIHUHSNWIOFSOV-SECBINFHSA-N -1 0 307.372 -0.664 20 0 DBADRM C[C@H](CS(=O)(=O)NCC(=O)NCc1ccccc1)C(=O)[O-] ZINC000827559799 601775747 /nfs/dbraw/zinc/77/57/47/601775747.db2.gz YECXJQMEKWJKLS-SNVBAGLBSA-N -1 0 314.363 -0.057 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1=O ZINC000826961667 601777097 /nfs/dbraw/zinc/77/70/97/601777097.db2.gz WWVSIAWSSSGOML-WDEREUQCSA-N -1 0 313.354 -0.119 20 0 DBADRM CCc1nncn1CCNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000830339368 601779143 /nfs/dbraw/zinc/77/91/43/601779143.db2.gz WONZZARYWPPUJJ-SNVBAGLBSA-N -1 0 311.342 -0.274 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCc2nnnn2C2CC2)CCO1 ZINC000833217967 601779366 /nfs/dbraw/zinc/77/93/66/601779366.db2.gz LHWMTQJXJNUSPD-SECBINFHSA-N -1 0 310.314 -0.607 20 0 DBADRM Cc1nc2n(n1)C[C@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])CC2 ZINC000833007574 601787054 /nfs/dbraw/zinc/78/70/54/601787054.db2.gz PCKSKRPOTPYINX-VXNVDRBHSA-N -1 0 302.356 -0.459 20 0 DBADRM C[C@@H](CS(=O)(=O)NCCCN1C(=O)CCC1=O)C(=O)[O-] ZINC000827558389 601788001 /nfs/dbraw/zinc/78/80/01/601788001.db2.gz MFGZSNOBOTULGE-QMMMGPOBSA-N -1 0 306.340 -0.834 20 0 DBADRM C[C@H](CS(=O)(=O)N(C)[C@@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000827534384 601789890 /nfs/dbraw/zinc/78/98/90/601789890.db2.gz WJYDNASEYSAVQE-SFYZADRCSA-N -1 0 301.386 -0.598 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCO[C@H](Cn2cccn2)C1)C(=O)[O-] ZINC000827547520 601790019 /nfs/dbraw/zinc/79/00/19/601790019.db2.gz UPGKDYJEYCEBIS-WDEREUQCSA-N -1 0 317.367 -0.366 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[C@H](n2cncn2)C1)C(=O)[O-] ZINC000827542119 601796322 /nfs/dbraw/zinc/79/63/22/601796322.db2.gz SGTJDECTXSMVPM-UWVGGRQHSA-N -1 0 302.356 -0.035 20 0 DBADRM Cc1nc([C@H]2CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CCO2)n[nH]1 ZINC000832990725 601796670 /nfs/dbraw/zinc/79/66/70/601796670.db2.gz GHLXFHDDWONRII-VXNVDRBHSA-N -1 0 318.355 -0.463 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC2(CNC(=O)C2)CC1)C(=O)[O-] ZINC000827542922 601797026 /nfs/dbraw/zinc/79/70/26/601797026.db2.gz WOWWYFOCBMAIRX-SECBINFHSA-N -1 0 304.368 -0.361 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCc2nn(C)c(=O)cc2C1)C(=O)[O-] ZINC000827545460 601797055 /nfs/dbraw/zinc/79/70/55/601797055.db2.gz AQHZSNJQTDIFJK-QMMMGPOBSA-N -1 0 315.351 -0.811 20 0 DBADRM COC(=O)CN(C1CCOCC1)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000831163593 601797262 /nfs/dbraw/zinc/79/72/62/601797262.db2.gz ASKIEKOHDXXTHG-SECBINFHSA-N -1 0 323.367 -0.309 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000831058787 601799253 /nfs/dbraw/zinc/79/92/53/601799253.db2.gz AUWRKBAXAPTHBA-DTWKUNHWSA-N -1 0 309.340 -0.699 20 0 DBADRM COC(=O)C[C@H]1CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CCO1 ZINC000831148758 601799340 /nfs/dbraw/zinc/79/93/40/601799340.db2.gz YSQGMSAAAVBYDX-BDAKNGLRSA-N -1 0 309.340 -0.699 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN(C[C@@H]2CCOC2)CC1)C(=O)[O-] ZINC000827545485 601799687 /nfs/dbraw/zinc/79/96/87/601799687.db2.gz BEKBSBUZDBGKKX-RYUDHWBXSA-N -1 0 320.411 -0.309 20 0 DBADRM C[C@@H](CS(=O)(=O)NCCc1nnc2ccccn21)C(=O)[O-] ZINC000827564951 601800670 /nfs/dbraw/zinc/80/06/70/601800670.db2.gz ZDIXAXMNNAAMAZ-VIFPVBQESA-N -1 0 312.351 -0.088 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000830742532 601802667 /nfs/dbraw/zinc/80/26/67/601802667.db2.gz FEUHMINOXJJZSO-GHMZBOCLSA-N -1 0 322.383 -0.483 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OC ZINC000831632142 601805925 /nfs/dbraw/zinc/80/59/25/601805925.db2.gz SKVGHSJGUWFCIX-NSHDSACASA-N -1 0 321.307 -0.166 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CCOC1CCOCC1 ZINC000833205480 601811028 /nfs/dbraw/zinc/81/10/28/601811028.db2.gz AVZSRZOXKCDZHH-LLVKDONJSA-N -1 0 314.338 -0.626 20 0 DBADRM Nc1cccc(C(=O)CCC(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000833091742 601846792 /nfs/dbraw/zinc/84/67/92/601846792.db2.gz SWOODUOWTQNSQY-UHFFFAOYSA-N -1 0 308.290 -0.024 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)COC)CC1 ZINC000739316877 601859250 /nfs/dbraw/zinc/85/92/50/601859250.db2.gz WORGNMXRGISZLB-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1=O ZINC000830913452 601862954 /nfs/dbraw/zinc/86/29/54/601862954.db2.gz QLBROMKOUYEKIO-MRVPVSSYSA-N -1 0 323.280 -0.191 20 0 DBADRM COCc1nn(CN2CCSC[C@H]2CC(=O)[O-])c(=O)o1 ZINC000831832106 601880389 /nfs/dbraw/zinc/88/03/89/601880389.db2.gz VFGYTCVPRTVCRC-MRVPVSSYSA-N -1 0 303.340 -0.168 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(CN2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000830631533 601895034 /nfs/dbraw/zinc/89/50/34/601895034.db2.gz MNWYSLSWLFHNMK-LBPRGKRZSA-N -1 0 316.383 -0.113 20 0 DBADRM NS(=O)(=O)c1cnc(N2CC[C@@H](CNC(=O)[O-])C2)s1 ZINC000740341798 601919475 /nfs/dbraw/zinc/91/94/75/601919475.db2.gz GFNVJXVLYDTIML-LURJTMIESA-N -1 0 306.369 -0.116 20 0 DBADRM Cn1c(N2CC[C@@H](CNC(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000740281276 601919716 /nfs/dbraw/zinc/91/97/16/601919716.db2.gz FGPFBXWZPPOANO-ZETCQYMHSA-N -1 0 322.325 -0.534 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000740014292 601939055 /nfs/dbraw/zinc/93/90/55/601939055.db2.gz YVKRLFCMWSNIIM-YUMQZZPRSA-N -1 0 305.356 -0.912 20 0 DBADRM NS(=O)(=O)N1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000833088621 601940954 /nfs/dbraw/zinc/94/09/54/601940954.db2.gz QVMRRNPPVATWCM-UHFFFAOYSA-N -1 0 305.381 -0.233 20 0 DBADRM C[C@H](O)c1cn(CC(=O)NCCSCCC(=O)[O-])nn1 ZINC000827804183 601941740 /nfs/dbraw/zinc/94/17/40/601941740.db2.gz RWDKUGSZJJIJCN-QMMMGPOBSA-N -1 0 302.356 -0.345 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)Cn1cc([C@H](C)O)nn1 ZINC000831725175 601942153 /nfs/dbraw/zinc/94/21/53/601942153.db2.gz QOMVJRGPUZPLAQ-VIFPVBQESA-N -1 0 300.315 -0.719 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCSC[C@@H]2CC(=O)[O-])nn1 ZINC000827804044 601942996 /nfs/dbraw/zinc/94/29/96/601942996.db2.gz RDNLUFWJOJCQJC-BDAKNGLRSA-N -1 0 314.367 -0.250 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCSC[C@@H]2CC(=O)[O-])nn1 ZINC000827804046 601943024 /nfs/dbraw/zinc/94/30/24/601943024.db2.gz RDNLUFWJOJCQJC-IUCAKERBSA-N -1 0 314.367 -0.250 20 0 DBADRM CN(CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000830669518 601945422 /nfs/dbraw/zinc/94/54/22/601945422.db2.gz FXJIWKMDSSOABJ-ONGXEEELSA-N -1 0 320.411 -0.279 20 0 DBADRM Cn1c2[nH]c(CN3CC[C@](C)(C(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000833038326 601951429 /nfs/dbraw/zinc/95/14/29/601951429.db2.gz VQPSZJQCPJWTLH-AWEZNQCLSA-N -1 0 321.337 -0.743 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000830988411 601975631 /nfs/dbraw/zinc/97/56/31/601975631.db2.gz ZYWBGHQCFIOZGV-UHFFFAOYSA-N -1 0 304.299 -0.110 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)NCCN(C(=O)[O-])C1CC1 ZINC000740357341 601983623 /nfs/dbraw/zinc/98/36/23/601983623.db2.gz RBKSPDGRNSENFO-UHFFFAOYSA-N -1 0 319.383 -0.329 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](CNC(=O)[O-])C2)C[C@H](C)O1 ZINC000739196258 601996442 /nfs/dbraw/zinc/99/64/42/601996442.db2.gz VKSOVOSVPMCESU-AXFHLTTASA-N -1 0 321.399 -0.070 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CC[C@H](CNC(=O)[O-])C2)C[C@@H](C)O1 ZINC000739196261 601996764 /nfs/dbraw/zinc/99/67/64/601996764.db2.gz VKSOVOSVPMCESU-GMTAPVOTSA-N -1 0 321.399 -0.070 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)N(C)CCC(=O)[O-])[C@@H](C)C1 ZINC000825841419 602000048 /nfs/dbraw/zinc/00/00/48/602000048.db2.gz RSXPFEYJIRCBHF-VIFPVBQESA-N -1 0 307.372 -0.810 20 0 DBADRM Cn1ccc(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)n1 ZINC000740288579 602003066 /nfs/dbraw/zinc/00/30/66/602003066.db2.gz AWRRPNZRPZDWFV-SNVBAGLBSA-N -1 0 323.353 -0.344 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)N(CCN2CCOCC2)CC(=O)[O-])O1 ZINC000828207542 602006984 /nfs/dbraw/zinc/00/69/84/602006984.db2.gz MLWBETFKBREDLR-RYUDHWBXSA-N -1 0 300.355 -0.201 20 0 DBADRM CS(=O)(=O)NCCNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739998696 602011535 /nfs/dbraw/zinc/01/15/35/602011535.db2.gz ZZJINXJOCWMOPM-VIFPVBQESA-N -1 0 322.387 -0.775 20 0 DBADRM CS(=O)(=O)CCNC(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000739985578 602018260 /nfs/dbraw/zinc/01/82/60/602018260.db2.gz UCBGCJRMHVMFCK-UHFFFAOYSA-N -1 0 307.372 -0.280 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000828016636 602032937 /nfs/dbraw/zinc/03/29/37/602032937.db2.gz KMRSMFGFYYVXIP-LLVKDONJSA-N -1 0 302.308 -0.136 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739039906 602033056 /nfs/dbraw/zinc/03/30/56/602033056.db2.gz OBFZXJYACMCAFE-KXUCPTDWSA-N -1 0 321.399 -0.181 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(C(=O)CNC(=O)c2ccncc2)C1 ZINC000740639989 602035892 /nfs/dbraw/zinc/03/58/92/602035892.db2.gz GYNVPTZHHWGYCH-JTQLQIEISA-N -1 0 306.322 -0.073 20 0 DBADRM C[C@H](OC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1)C(N)=O ZINC000739043408 602040591 /nfs/dbraw/zinc/04/05/91/602040591.db2.gz OGKKGNRROKPGIF-ZETCQYMHSA-N -1 0 311.298 -0.376 20 0 DBADRM COC[C@@](C)(CCO)NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000831590866 602042225 /nfs/dbraw/zinc/04/22/25/602042225.db2.gz OHXFWOITAAZLKO-GFCCVEGCSA-N -1 0 300.315 -0.123 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)N2CCN(C(=O)[O-])CC2)n1 ZINC000737349959 602051086 /nfs/dbraw/zinc/05/10/86/602051086.db2.gz NYGINTRWGMUQRF-UHFFFAOYSA-N -1 0 324.341 -0.201 20 0 DBADRM CN(CC(=O)N1CC[C@](C)(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000830665649 602054167 /nfs/dbraw/zinc/05/41/67/602054167.db2.gz JUOGBNRSVCBLJU-MFKMUULPSA-N -1 0 318.395 -0.572 20 0 DBADRM CC(C)N(CCC(=O)N1CCCN(CC(N)=O)CC1)C(=O)[O-] ZINC000738838944 602063518 /nfs/dbraw/zinc/06/35/18/602063518.db2.gz CPJATTDAJQYYEA-UHFFFAOYSA-N -1 0 314.386 -0.216 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000231020337 602068038 /nfs/dbraw/zinc/06/80/38/602068038.db2.gz OCVOUDUSNMLSOV-NSHDSACASA-N -1 0 307.372 -0.568 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1nc2nccc(C)n2n1 ZINC000829978687 602077020 /nfs/dbraw/zinc/07/70/20/602077020.db2.gz MYKNWQJIMBNCAY-SECBINFHSA-N -1 0 307.310 -0.006 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000738555469 602086753 /nfs/dbraw/zinc/08/67/53/602086753.db2.gz JBDDIFQSFYOJAX-UHFFFAOYSA-N -1 0 323.309 -0.248 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)C1 ZINC000740326187 602089303 /nfs/dbraw/zinc/08/93/03/602089303.db2.gz CIPVXAURBJCVMM-SSDOTTSWSA-N -1 0 321.293 -0.556 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000827264276 602090524 /nfs/dbraw/zinc/09/05/24/602090524.db2.gz YUDXTJJDVYTBOI-VIFPVBQESA-N -1 0 307.372 -0.952 20 0 DBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)[O-])c1 ZINC000818542678 602090268 /nfs/dbraw/zinc/09/02/68/602090268.db2.gz LNTQEIOKPHJMBG-UHFFFAOYSA-N -1 0 306.296 -0.819 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000827257993 602094126 /nfs/dbraw/zinc/09/41/26/602094126.db2.gz VTFNPPQEVJIDPC-ZJUUUORDSA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000827289890 602103841 /nfs/dbraw/zinc/10/38/41/602103841.db2.gz CCKNFNYMOQAXBM-GFCCVEGCSA-N -1 0 321.381 -0.174 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)N(C)CC(=O)N1CCOCC1 ZINC000739228913 602108395 /nfs/dbraw/zinc/10/83/95/602108395.db2.gz UMJWAVPFPFXCOR-PWSUYJOCSA-N -1 0 315.370 -0.014 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)NCCNS(=O)(=O)CC ZINC000739289529 602122796 /nfs/dbraw/zinc/12/27/96/602122796.db2.gz VWJDYLQSCAJTIX-LLVKDONJSA-N -1 0 309.388 -0.132 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000827264055 602132461 /nfs/dbraw/zinc/13/24/61/602132461.db2.gz VVOBEYZQBFIGLV-JTQLQIEISA-N -1 0 320.349 -0.060 20 0 DBADRM COC[C@@H](CCO)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000831650272 602133968 /nfs/dbraw/zinc/13/39/68/602133968.db2.gz IVPHLWGWQMSZGS-GFCCVEGCSA-N -1 0 324.333 -0.234 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000833228491 602134113 /nfs/dbraw/zinc/13/41/13/602134113.db2.gz PUARNWOSYHWYBZ-VHSXEESVSA-N -1 0 304.368 -0.076 20 0 DBADRM O=C([O-])NCCNC(=O)CCc1nc(-c2ncccn2)no1 ZINC000740660033 602141646 /nfs/dbraw/zinc/14/16/46/602141646.db2.gz NITOIQZBBNZNRM-UHFFFAOYSA-N -1 0 306.282 -0.157 20 0 DBADRM CCOC[C@@H](O)CN1CCN(C(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000829983753 602152259 /nfs/dbraw/zinc/15/22/59/602152259.db2.gz BJJNWYMVTPJBSN-NEPJUHHUSA-N -1 0 302.371 -0.361 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)CC[C@@H]1CCCO1 ZINC000831174872 602152826 /nfs/dbraw/zinc/15/28/26/602152826.db2.gz BLHICJDPERXEAD-VIFPVBQESA-N -1 0 309.340 -0.555 20 0 DBADRM CCOC(=O)[C@@H](C)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000829823493 602155853 /nfs/dbraw/zinc/15/58/53/602155853.db2.gz WQBZNADBWNSGLS-MRVPVSSYSA-N -1 0 319.339 -0.460 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000833013634 602165401 /nfs/dbraw/zinc/16/54/01/602165401.db2.gz FKISGNKZXLIHMT-UHFFFAOYSA-N -1 0 308.298 -0.200 20 0 DBADRM CCNC(=O)N1CC[C@@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC000829794682 602168716 /nfs/dbraw/zinc/16/87/16/602168716.db2.gz KJYSRGSBFJWZFQ-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000827316530 602170166 /nfs/dbraw/zinc/17/01/66/602170166.db2.gz AWQRRCQLGNJALY-MRVPVSSYSA-N -1 0 303.340 -0.023 20 0 DBADRM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])o3)C[C@H]21 ZINC000830964877 602174861 /nfs/dbraw/zinc/17/48/61/602174861.db2.gz NCQIZKIOGDALJT-PSASIEDQSA-N -1 0 316.335 -0.319 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000827279519 602187771 /nfs/dbraw/zinc/18/77/71/602187771.db2.gz CYILQQPUHKSYAB-OPRDCNLKSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C([O-])NC[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000740635704 602189455 /nfs/dbraw/zinc/18/94/55/602189455.db2.gz XEFHAYXOUYAJPL-SECBINFHSA-N -1 0 310.310 -0.957 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000827246575 602190213 /nfs/dbraw/zinc/19/02/13/602190213.db2.gz BAAFFTYRGCGENR-MNOVXSKESA-N -1 0 320.411 -0.326 20 0 DBADRM CN1CCO[C@@H]2CN(C(=O)N[C@H]3CCCN(C(=O)[O-])C3)C[C@@H]21 ZINC000830966077 602196124 /nfs/dbraw/zinc/19/61/24/602196124.db2.gz XIYVDLRQZGLIFE-SDDRHHMPSA-N -1 0 312.370 -0.147 20 0 DBADRM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)CN(C)C(=O)[O-])C1 ZINC000739832715 602196329 /nfs/dbraw/zinc/19/63/29/602196329.db2.gz UJSJHSWDPMMRRH-QWRGUYRKSA-N -1 0 315.370 -0.014 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCCn1ncnn1 ZINC000380172345 602203035 /nfs/dbraw/zinc/20/30/35/602203035.db2.gz NGDLGZRLTQDROU-UHFFFAOYSA-N -1 0 311.323 -0.342 20 0 DBADRM COC(=O)C1CCN(C(=O)COC(=O)CN(C)C(=O)[O-])CC1 ZINC000739756525 602208727 /nfs/dbraw/zinc/20/87/27/602208727.db2.gz QYHMTROYANOEGJ-UHFFFAOYSA-N -1 0 316.310 -0.449 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)c2cccc3nonc32)CCOC1 ZINC000800025663 602210033 /nfs/dbraw/zinc/21/00/33/602210033.db2.gz WPQXXQSWPWPLGF-LLVKDONJSA-N -1 0 313.291 -0.255 20 0 DBADRM Cc1cc(S(=O)(=O)NCCn2ncnn2)ccc1C(=O)[O-] ZINC000380127747 602210661 /nfs/dbraw/zinc/21/06/61/602210661.db2.gz CXPYTHRIHWTPKH-UHFFFAOYSA-N -1 0 311.323 -0.342 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCn2ncnn2)ccc1F ZINC000380137929 602210971 /nfs/dbraw/zinc/21/09/71/602210971.db2.gz FRUUASFSJHRDBW-UHFFFAOYSA-N -1 0 315.286 -0.511 20 0 DBADRM O=C([O-])c1ccc(CS(=O)(=O)NCCn2ncnn2)cc1 ZINC000380157873 602211030 /nfs/dbraw/zinc/21/10/30/602211030.db2.gz KEZAVJWSBYDOMY-UHFFFAOYSA-N -1 0 311.323 -0.509 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)OCC(=O)N1CCNC1=O ZINC000739297247 602219254 /nfs/dbraw/zinc/21/92/54/602219254.db2.gz QLYJCHXCXRPUFH-GFCCVEGCSA-N -1 0 301.299 -0.092 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCS2(=O)=O)c[nH]1 ZINC000133930157 602220881 /nfs/dbraw/zinc/22/08/81/602220881.db2.gz PNJVTMDAWFHMKF-ZETCQYMHSA-N -1 0 322.364 -0.432 20 0 DBADRM Cn1cc(/C=C\C(=O)OCCCNC(=O)[O-])c(=O)n(C)c1=O ZINC000740288888 602226961 /nfs/dbraw/zinc/22/69/61/602226961.db2.gz ZGKWYQWOZRQHJT-PLNGDYQASA-N -1 0 311.294 -0.702 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnn(C)c1 ZINC000827026950 602231384 /nfs/dbraw/zinc/23/13/84/602231384.db2.gz AVEDYTXOYSCSQZ-JTQLQIEISA-N -1 0 305.356 -0.081 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000830691661 602238021 /nfs/dbraw/zinc/23/80/21/602238021.db2.gz AWHNPIAYGQZTRJ-OAHLLOKOSA-N -1 0 324.381 -0.099 20 0 DBADRM Cn1cc([C@]2(C)CN(CC(=O)NCCC(=O)[O-])CCO2)cn1 ZINC000833043427 602238247 /nfs/dbraw/zinc/23/82/47/602238247.db2.gz RAVDZQDTYXBEIR-AWEZNQCLSA-N -1 0 310.354 -0.442 20 0 DBADRM CC(=O)NCC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000825870979 602251238 /nfs/dbraw/zinc/25/12/38/602251238.db2.gz KHLWKBDLAQTLPH-UHFFFAOYSA-N -1 0 314.319 -0.137 20 0 DBADRM C[C@@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000818675205 602253529 /nfs/dbraw/zinc/25/35/29/602253529.db2.gz RPZAKTITXSVPKO-IWSPIJDZSA-N -1 0 302.327 -0.054 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@H](C)CC(=O)[O-])C1 ZINC000825871832 602271141 /nfs/dbraw/zinc/27/11/41/602271141.db2.gz YIMUTHIVOINXDU-KOLCDFICSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O ZINC000827333262 602275711 /nfs/dbraw/zinc/27/57/11/602275711.db2.gz JCKOPSSNFZYDCM-IUCAKERBSA-N -1 0 300.311 -0.493 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000825841641 602279585 /nfs/dbraw/zinc/27/95/85/602279585.db2.gz UZHNUBOSQLZONU-VHSXEESVSA-N -1 0 314.338 -0.280 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000738541199 602289462 /nfs/dbraw/zinc/28/94/62/602289462.db2.gz QUDSGBZRCLSCMK-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM CN(CCNC(=O)CCCS(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000739690010 602295211 /nfs/dbraw/zinc/29/52/11/602295211.db2.gz YXHRPZKOQFLQHC-UHFFFAOYSA-N -1 0 321.399 -0.082 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)NCCN(C)C(=O)[O-])C1 ZINC000739515671 602295214 /nfs/dbraw/zinc/29/52/14/602295214.db2.gz DMIBKTOKDBSVQM-JTQLQIEISA-N -1 0 321.399 -0.226 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000818213666 602298222 /nfs/dbraw/zinc/29/82/22/602298222.db2.gz OSNXLRZCWQQZQU-ZJUUUORDSA-N -1 0 314.342 -0.715 20 0 DBADRM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCN(C)C(=O)[O-] ZINC000739372079 602298987 /nfs/dbraw/zinc/29/89/87/602298987.db2.gz GOHLVDXIZXGCTN-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM CN(CCNC(=O)CS[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739692167 602299803 /nfs/dbraw/zinc/29/98/03/602299803.db2.gz OENUHDVMBCQFBL-QMMMGPOBSA-N -1 0 310.397 -0.367 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C2CCN(C(=O)[O-])CC2)CCO1 ZINC000738039711 602302309 /nfs/dbraw/zinc/30/23/09/602302309.db2.gz ZYCZVHNHBYECFW-JTQLQIEISA-N -1 0 300.311 -0.223 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@@H](CCSC)NC(=O)[O-])CCO1 ZINC000739755768 602302789 /nfs/dbraw/zinc/30/27/89/602302789.db2.gz MIUSCGLXJHDFOO-RKDXNWHRSA-N -1 0 320.367 -0.224 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C2(NC(=O)[O-])CCCC2)CCO1 ZINC000739756562 602302970 /nfs/dbraw/zinc/30/29/70/602302970.db2.gz RTLLIPFZSLQQCH-SECBINFHSA-N -1 0 300.311 -0.033 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[O-])cc1C(N)=O ZINC000740148209 602303306 /nfs/dbraw/zinc/30/33/06/602303306.db2.gz STBPXWDLYPJEKO-UHFFFAOYSA-N -1 0 315.351 -0.018 20 0 DBADRM CN(CCNC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000739692258 602303680 /nfs/dbraw/zinc/30/36/80/602303680.db2.gz PEQIXSGKXQBGQB-UHFFFAOYSA-N -1 0 323.305 -0.129 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)NC1CCN(C(=O)[O-])CC1 ZINC000738458933 602304245 /nfs/dbraw/zinc/30/42/45/602304245.db2.gz AQOHQQABYFFJTF-UHFFFAOYSA-N -1 0 310.310 -0.815 20 0 DBADRM Cn1cc(/C=C\C(=O)NC(C)(C)CNC(=O)[O-])c(=O)n(C)c1=O ZINC000740287928 602308409 /nfs/dbraw/zinc/30/84/09/602308409.db2.gz RGSWCLYLUQMNIO-WAYWQWQTSA-N -1 0 324.337 -0.740 20 0 DBADRM O=C([O-])NCCNC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000740663405 602320340 /nfs/dbraw/zinc/32/03/40/602320340.db2.gz PIAFSJXNNJSOLH-JTQLQIEISA-N -1 0 314.342 -0.713 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000738139325 602322150 /nfs/dbraw/zinc/32/21/50/602322150.db2.gz QIPSDTZDYGVYQY-MRVPVSSYSA-N -1 0 324.428 -0.858 20 0 DBADRM CN(CC(=O)N[C@@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21)C(=O)[O-] ZINC000739623514 602324237 /nfs/dbraw/zinc/32/42/37/602324237.db2.gz GEFSHXQMSOMZCD-SECBINFHSA-N -1 0 322.321 -0.011 20 0 DBADRM CN(CC(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-] ZINC000739623720 602324270 /nfs/dbraw/zinc/32/42/70/602324270.db2.gz KAIWAFUSGHUNDK-UHFFFAOYSA-N -1 0 321.293 -0.067 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000827422717 602330248 /nfs/dbraw/zinc/33/02/48/602330248.db2.gz SRLPPEJGSXJQSP-QMMMGPOBSA-N -1 0 316.401 -0.950 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)NC[C@@H](O)C2CC2)CC1 ZINC000740433327 602332192 /nfs/dbraw/zinc/33/21/92/602332192.db2.gz NNRJPKIBUBZVFW-GFCCVEGCSA-N -1 0 314.386 -0.258 20 0 DBADRM Cn1ccnc1CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000740293726 602333056 /nfs/dbraw/zinc/33/30/56/602333056.db2.gz AEOCWIBMFWBUHL-UHFFFAOYSA-N -1 0 310.358 -0.485 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCN(C(=O)[O-])C2CC2)CCO1 ZINC000739758356 602333934 /nfs/dbraw/zinc/33/39/34/602333934.db2.gz FIDSHGAELPXTGI-SNVBAGLBSA-N -1 0 315.326 -0.288 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCN(C(=O)[O-])C2CC2)CCO1 ZINC000739758355 602333999 /nfs/dbraw/zinc/33/39/99/602333999.db2.gz FIDSHGAELPXTGI-JTQLQIEISA-N -1 0 315.326 -0.288 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000736360791 602356432 /nfs/dbraw/zinc/35/64/32/602356432.db2.gz BJGYBWSXUYPFSY-VIFPVBQESA-N -1 0 307.372 -0.618 20 0 DBADRM CC(C)N(CCCNC(=O)CCNS(C)(=O)=O)C(=O)[O-] ZINC000738848971 602357117 /nfs/dbraw/zinc/35/71/17/602357117.db2.gz FOQNXICPWDJVIY-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM Cn1cc(NC(=O)NCCCN2C(=O)CNC2=O)cc1C(=O)[O-] ZINC000833052064 602357809 /nfs/dbraw/zinc/35/78/09/602357809.db2.gz ZRXWRKQOYNDCQT-UHFFFAOYSA-N -1 0 323.309 -0.213 20 0 DBADRM CS(=O)(=O)NCCNC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739993662 602372161 /nfs/dbraw/zinc/37/21/61/602372161.db2.gz FNNVVBQNDMWZLG-UHFFFAOYSA-N -1 0 307.372 -0.522 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000739317559 602367910 /nfs/dbraw/zinc/36/79/10/602367910.db2.gz YJTIRIUNJOFORK-MRVPVSSYSA-N -1 0 312.326 -0.377 20 0 DBADRM O=C([O-])NC1(C(=O)N2CCC3(CC2)NC(=O)NC3=O)CCCC1 ZINC000740534668 602368691 /nfs/dbraw/zinc/36/86/91/602368691.db2.gz UPKUMKDAOORLRW-UHFFFAOYSA-N -1 0 324.337 -0.233 20 0 DBADRM CS(=O)(=O)NCCNC(=O)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739998612 602371943 /nfs/dbraw/zinc/37/19/43/602371943.db2.gz ZNMZZYKSFCLQBZ-JTQLQIEISA-N -1 0 315.351 -0.339 20 0 DBADRM Cn1cc(NC(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1C(=O)[O-] ZINC000833049940 602372831 /nfs/dbraw/zinc/37/28/31/602372831.db2.gz YHMIHQJUSRVXDS-SECBINFHSA-N -1 0 307.310 -0.035 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCOCC1 ZINC000739310693 602376784 /nfs/dbraw/zinc/37/67/84/602376784.db2.gz AYILZJOEGAPQEB-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM CN(CCC1CC1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825919184 607563291 /nfs/dbraw/zinc/56/32/91/607563291.db2.gz XHYZHZCWUQJYJF-UHFFFAOYSA-N -1 0 305.342 -0.500 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCCNC(=O)[O-] ZINC000739468215 602388804 /nfs/dbraw/zinc/38/88/04/602388804.db2.gz GEDSXZBAMARYIJ-SECBINFHSA-N -1 0 323.371 -0.494 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@H](O)Cc2ccccc2)nn1 ZINC000833121007 602393459 /nfs/dbraw/zinc/39/34/59/602393459.db2.gz ACCZQZAHVIEDGW-LLVKDONJSA-N -1 0 304.306 -0.304 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)NCCCN(C)S(C)(=O)=O ZINC000739317411 602393721 /nfs/dbraw/zinc/39/37/21/602393721.db2.gz VZCNPKLMDOTYPF-VIFPVBQESA-N -1 0 309.388 -0.180 20 0 DBADRM O=C([O-])NCCCNC(=O)NCCCN1CCCS1(=O)=O ZINC000740652512 602395143 /nfs/dbraw/zinc/39/51/43/602395143.db2.gz MHQMIUXLDKEQFX-UHFFFAOYSA-N -1 0 322.387 -0.631 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000738913536 602397218 /nfs/dbraw/zinc/39/72/18/602397218.db2.gz VGOPPOCZLCWSGU-VHSXEESVSA-N -1 0 303.384 -0.124 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC000828557265 602401337 /nfs/dbraw/zinc/40/13/37/602401337.db2.gz JDACJIOZZYMWCV-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM NC(=O)CC1(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCC1 ZINC000833081228 602401513 /nfs/dbraw/zinc/40/15/13/602401513.db2.gz YLVVXIBJRWNHMI-UHFFFAOYSA-N -1 0 319.383 -0.585 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739516751 602405164 /nfs/dbraw/zinc/40/51/64/602405164.db2.gz UQAJOROFRUPGKX-UHFFFAOYSA-N -1 0 322.387 -0.679 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCCCNC(=O)[O-])cc1 ZINC000740340432 602408374 /nfs/dbraw/zinc/40/83/74/602408374.db2.gz JBYXDZAUESKUCR-UHFFFAOYSA-N -1 0 301.324 -0.279 20 0 DBADRM O=C([O-])N1CC[C@@H](CCNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000740433641 602413766 /nfs/dbraw/zinc/41/37/66/602413766.db2.gz MJGKUJZKAJSDJM-NXEZZACHSA-N -1 0 304.368 -0.073 20 0 DBADRM O=C([O-])NCCCNC(=O)NCCS(=O)(=O)NC1CC1 ZINC000740653954 602416446 /nfs/dbraw/zinc/41/64/46/602416446.db2.gz WSHSUAWHOZVGEL-UHFFFAOYSA-N -1 0 308.360 -0.975 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000740018569 602424127 /nfs/dbraw/zinc/42/41/27/602424127.db2.gz RZUIWPIFSOGNQD-GHMZBOCLSA-N -1 0 319.427 -0.099 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCCNC(=O)[O-])ccc1C(N)=O ZINC000740078003 602426222 /nfs/dbraw/zinc/42/62/22/602426222.db2.gz CWHLWNBNCKJZDR-UHFFFAOYSA-N -1 0 322.321 -0.194 20 0 DBADRM CN(C[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1)C(=O)[O-] ZINC000739640475 602436550 /nfs/dbraw/zinc/43/65/50/602436550.db2.gz GOZCOVHUJXBPOL-SECBINFHSA-N -1 0 312.326 -0.613 20 0 DBADRM CCc1nc(CN2CCN(C(=O)[C@@H](C)NC(=O)[O-])CC2)no1 ZINC000739551744 602438520 /nfs/dbraw/zinc/43/85/20/602438520.db2.gz HTLRNPZOSLFUKJ-SECBINFHSA-N -1 0 311.342 -0.068 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000740341161 602438562 /nfs/dbraw/zinc/43/85/62/602438562.db2.gz KDRGADMSIXAHKB-VHSXEESVSA-N -1 0 319.383 -0.344 20 0 DBADRM CN(CCNC(=O)N1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC000739691308 602443492 /nfs/dbraw/zinc/44/34/92/602443492.db2.gz HVCBANVBXDBROS-UHFFFAOYSA-N -1 0 308.342 -0.082 20 0 DBADRM COCC(=O)NC1CCN(C(=O)NCCN(C)C(=O)[O-])CC1 ZINC000739802588 602443917 /nfs/dbraw/zinc/44/39/17/602443917.db2.gz DUOUHTPPVVNBBL-UHFFFAOYSA-N -1 0 316.358 -0.467 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)NCCN(C)C(=O)[O-])CC1 ZINC000739600449 602444069 /nfs/dbraw/zinc/44/40/69/602444069.db2.gz QCZYZXRTYCXMDC-UHFFFAOYSA-N -1 0 301.347 -0.395 20 0 DBADRM COCCn1nc(C(=O)N(C)[C@@H](C)CNC(=O)[O-])ccc1=O ZINC000739841091 602446562 /nfs/dbraw/zinc/44/65/62/602446562.db2.gz XSHOHSGVDUTBBO-VIFPVBQESA-N -1 0 312.326 -0.382 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000738925629 602449246 /nfs/dbraw/zinc/44/92/46/602449246.db2.gz BJMOOLJCZZHJSZ-QMMMGPOBSA-N -1 0 322.325 -0.756 20 0 DBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCCNC(=O)[O-] ZINC000740231856 602450317 /nfs/dbraw/zinc/45/03/17/602450317.db2.gz AYHDIUOCGDFLDC-UHFFFAOYSA-N -1 0 307.310 -0.022 20 0 DBADRM COC1(C(=O)N2CCC[C@H](C(N)=O)C2)CCN(C(=O)[O-])CC1 ZINC000739799286 602454249 /nfs/dbraw/zinc/45/42/49/602454249.db2.gz RSYSOWRTFVJDHG-JTQLQIEISA-N -1 0 313.354 -0.131 20 0 DBADRM C[C@H](NC(=O)[O-])C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000739017079 602454456 /nfs/dbraw/zinc/45/44/56/602454456.db2.gz NNQHBKVHGLVBJO-JTQLQIEISA-N -1 0 321.399 -0.069 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CCCN(C(=O)[O-])CC1 ZINC000738453336 602457745 /nfs/dbraw/zinc/45/77/45/602457745.db2.gz HWBVPMZEZSWSQA-UHFFFAOYSA-N -1 0 319.325 -0.379 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=S)NCCN1CCOCC1 ZINC000738939661 602458508 /nfs/dbraw/zinc/45/85/08/602458508.db2.gz OETYXGDDBRSWHQ-JTQLQIEISA-N -1 0 304.416 -0.219 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=S)NCCCN2CCOCC2)C1 ZINC000740505036 602459052 /nfs/dbraw/zinc/45/90/52/602459052.db2.gz IWNQSSMABRROSL-NSHDSACASA-N -1 0 316.427 -0.075 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000739039179 602461160 /nfs/dbraw/zinc/46/11/60/602461160.db2.gz YYFMOLCFFHMMPE-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000740369124 602461191 /nfs/dbraw/zinc/46/11/91/602461191.db2.gz PAUUAPLBIWQLNJ-VIFPVBQESA-N -1 0 312.326 -0.423 20 0 DBADRM NC(=O)CN1CCN(C(=O)[C@@H](NC(=O)[O-])c2ccccc2)CC1 ZINC000740334204 602465724 /nfs/dbraw/zinc/46/57/24/602465724.db2.gz KXKBPGZKCOCPRV-ZDUSSCGKSA-N -1 0 320.349 -0.375 20 0 DBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)c2cocn2)C1 ZINC000740659222 602467300 /nfs/dbraw/zinc/46/73/00/602467300.db2.gz HRHMNFBXSWAVKP-VIFPVBQESA-N -1 0 310.310 -0.089 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000738983498 602471000 /nfs/dbraw/zinc/47/10/00/602471000.db2.gz GCKFZIQVQUUSMB-SECBINFHSA-N -1 0 322.321 -0.272 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740028027 602473203 /nfs/dbraw/zinc/47/32/03/602473203.db2.gz BEQZPGZHVOMTJN-MRVPVSSYSA-N -1 0 310.310 -0.003 20 0 DBADRM CNC(=O)CCN(C)C(=O)C1(OC)CCN(C(=O)[O-])CC1 ZINC000739739319 602474213 /nfs/dbraw/zinc/47/42/13/602474213.db2.gz DUUFNLAKVQMAAV-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740368134 602478703 /nfs/dbraw/zinc/47/87/03/602478703.db2.gz MNTXFLISWDINKE-SECBINFHSA-N -1 0 324.337 -0.281 20 0 DBADRM CN(C[C@H]1CCN(C(=O)CN2CSCC2=O)C1)C(=O)[O-] ZINC000739643165 602480078 /nfs/dbraw/zinc/48/00/78/602480078.db2.gz CMPCEWZYVGRILP-SECBINFHSA-N -1 0 301.368 -0.022 20 0 DBADRM CN(C[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1)C(=O)[O-] ZINC000739652861 602480950 /nfs/dbraw/zinc/48/09/50/602480950.db2.gz XGTXSQRJGDEWRU-SECBINFHSA-N -1 0 310.310 -0.593 20 0 DBADRM C[C@H](C(=O)N1CC[C@H](CN(C)C(=O)[O-])C1)N1C(=O)CCC1=O ZINC000738618567 602484469 /nfs/dbraw/zinc/48/44/69/602484469.db2.gz UCKPODOILDRCEC-NXEZZACHSA-N -1 0 311.338 -0.018 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1)C(=O)[O-] ZINC000739643747 602484482 /nfs/dbraw/zinc/48/44/82/602484482.db2.gz JFJJEGGCJLCGOR-VIFPVBQESA-N -1 0 307.372 -0.616 20 0 DBADRM CN(C[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1)C(=O)[O-] ZINC000739642708 602484987 /nfs/dbraw/zinc/48/49/87/602484987.db2.gz BYJAQKMHGSZLBU-SECBINFHSA-N -1 0 307.372 -0.664 20 0 DBADRM Cn1c(N[C@@H]2CCN(C(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000740284376 602492082 /nfs/dbraw/zinc/49/20/82/602492082.db2.gz ZSEKXJGDZHJGOJ-ZCFIWIBFSA-N -1 0 308.298 -0.463 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC000739724874 602495426 /nfs/dbraw/zinc/49/54/26/602495426.db2.gz SXVHXJIBBNSMPJ-NSHDSACASA-N -1 0 312.370 -0.781 20 0 DBADRM CCNC(=O)CCC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739464116 602497398 /nfs/dbraw/zinc/49/73/98/602497398.db2.gz YIVYAYSOTORZBI-UHFFFAOYSA-N -1 0 314.386 -0.343 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739774950 602498537 /nfs/dbraw/zinc/49/85/37/602498537.db2.gz VQQUEZAHWRUVCO-WDEREUQCSA-N -1 0 313.354 -0.451 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000739313086 602500852 /nfs/dbraw/zinc/50/08/52/602500852.db2.gz MHSCSUNIOBBNHQ-ZJUUUORDSA-N -1 0 321.399 -0.050 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@@H]2CCCCN2C(=O)[O-])CC1 ZINC000740333171 602513183 /nfs/dbraw/zinc/51/31/83/602513183.db2.gz BPGBJZQBVHDVGS-NSHDSACASA-N -1 0 312.370 -0.462 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000738548854 602514928 /nfs/dbraw/zinc/51/49/28/602514928.db2.gz CIXGAIPYHKICHR-UHFFFAOYSA-N -1 0 322.321 -0.355 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000737554122 602517836 /nfs/dbraw/zinc/51/78/36/602517836.db2.gz WSLOWCLXIWRMJB-JTQLQIEISA-N -1 0 321.399 -0.181 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCC(S(=O)(=O)NC)CC1 ZINC000739304400 602517845 /nfs/dbraw/zinc/51/78/45/602517845.db2.gz GEPKPPWAZVZSLK-JTQLQIEISA-N -1 0 321.399 -0.037 20 0 DBADRM COCCS(=O)(=O)CC(=O)NC1(CNC(=O)[O-])CCCC1 ZINC000739836330 602520985 /nfs/dbraw/zinc/52/09/85/602520985.db2.gz CTWJDBIYIDIJKS-UHFFFAOYSA-N -1 0 322.383 -0.256 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000738927589 602525680 /nfs/dbraw/zinc/52/56/80/602525680.db2.gz SHDGHOXPQQXYQG-MRVPVSSYSA-N -1 0 322.387 -0.984 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)CCC(=O)N1CCOCC1 ZINC000738928578 602526319 /nfs/dbraw/zinc/52/63/19/602526319.db2.gz VZJWCJIUGNJQAI-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000738809464 602531339 /nfs/dbraw/zinc/53/13/39/602531339.db2.gz NZMZISMOQIFFJT-QMMMGPOBSA-N -1 0 312.326 -0.102 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000740733729 602536927 /nfs/dbraw/zinc/53/69/27/602536927.db2.gz YDVACWHXRFXZJE-PUUHTONNSA-N -1 0 324.337 -0.377 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)NCCS(C)(=O)=O)CC1 ZINC000737927876 602543653 /nfs/dbraw/zinc/54/36/53/602543653.db2.gz FZFVVGCIYZRPKH-UHFFFAOYSA-N -1 0 307.372 -0.185 20 0 DBADRM CN(c1ccc(CNC(=O)CNC(=O)[O-])cc1)S(C)(=O)=O ZINC000737500326 602548182 /nfs/dbraw/zinc/54/81/82/602548182.db2.gz KIFXYMPFHKGLKA-UHFFFAOYSA-N -1 0 315.351 -0.034 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCCN(C(=O)[O-])CC1 ZINC000737862560 602549454 /nfs/dbraw/zinc/54/94/54/602549454.db2.gz RMDNEPOCYGVZIX-UHFFFAOYSA-N -1 0 301.343 -0.306 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)NCC[C@H](C)NC(=O)[O-] ZINC000738861095 602555096 /nfs/dbraw/zinc/55/50/96/602555096.db2.gz UGRXRRQJKSBBRZ-VIFPVBQESA-N -1 0 324.403 -0.340 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)CN(C)[C@H](C)CNC(=O)[O-])C1 ZINC000738544284 602556509 /nfs/dbraw/zinc/55/65/09/602556509.db2.gz YEUGKHBQWURRPH-ZYHUDNBSSA-N -1 0 314.386 -0.299 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739815015 602563880 /nfs/dbraw/zinc/56/38/80/602563880.db2.gz WZFJJGKPLXCKML-JTQLQIEISA-N -1 0 309.388 -0.116 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740336813 602567830 /nfs/dbraw/zinc/56/78/30/602567830.db2.gz PMFCHHQJOKPXRF-VIFPVBQESA-N -1 0 313.335 -0.184 20 0 DBADRM CS(=O)(=O)NCCNC(=S)NC[C@H]1CCCN1C(=O)[O-] ZINC000739997480 602567973 /nfs/dbraw/zinc/56/79/73/602567973.db2.gz WWJKSQKSXUBYDX-MRVPVSSYSA-N -1 0 324.428 -0.858 20 0 DBADRM Cn1cccc(C(=O)NCCN2CCN(C(=O)[O-])CC2)c1=O ZINC000740293187 602568423 /nfs/dbraw/zinc/56/84/23/602568423.db2.gz FHENTSRBYVCAQG-UHFFFAOYSA-N -1 0 308.338 -0.589 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(C(=O)[O-])C2)C[C@@H](C)O1 ZINC000739196764 602568938 /nfs/dbraw/zinc/56/89/38/602568938.db2.gz WDNQZZSNEWIEJJ-OPRDCNLKSA-N -1 0 307.372 -0.318 20 0 DBADRM CCN(CCNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739422211 602573481 /nfs/dbraw/zinc/57/34/81/602573481.db2.gz YUFKWZVEAYIHGE-SNVBAGLBSA-N -1 0 321.399 -0.779 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739041202 602574721 /nfs/dbraw/zinc/57/47/21/602574721.db2.gz ZZYMTPYVQAIDQC-BDAKNGLRSA-N -1 0 307.372 -0.618 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1cc[n+]([O-])cc1 ZINC000739688686 602576299 /nfs/dbraw/zinc/57/62/99/602576299.db2.gz QPHCBUKIXVMFTF-UHFFFAOYSA-N -1 0 308.338 -0.312 20 0 DBADRM COCC(=O)N1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739805032 602576610 /nfs/dbraw/zinc/57/66/10/602576610.db2.gz KAIQYKVUXQNMID-JTQLQIEISA-N -1 0 314.342 -0.761 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)[O-])nn1 ZINC000739596813 602581713 /nfs/dbraw/zinc/58/17/13/602581713.db2.gz MPXMYTUODSALJZ-VIFPVBQESA-N -1 0 324.341 -0.762 20 0 DBADRM NC(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000740331148 602582575 /nfs/dbraw/zinc/58/25/75/602582575.db2.gz FSYITVCQWNSLMD-NXEZZACHSA-N -1 0 313.358 -0.171 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000740354218 602583276 /nfs/dbraw/zinc/58/32/76/602583276.db2.gz NIPJBOKYYHYZDS-SECBINFHSA-N -1 0 312.326 -0.423 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000739989413 602586050 /nfs/dbraw/zinc/58/60/50/602586050.db2.gz BCXJTZFNRWVGGQ-ZJUUUORDSA-N -1 0 319.383 -0.331 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000740357664 602587702 /nfs/dbraw/zinc/58/77/02/602587702.db2.gz ZTSWJQBNXKDONQ-JTQLQIEISA-N -1 0 319.383 -0.329 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)[C@H](O)c2cccnc2)CC1 ZINC000740438210 602588938 /nfs/dbraw/zinc/58/89/38/602588938.db2.gz DGCPUCQBUMXMGW-GFCCVEGCSA-N -1 0 308.338 -0.473 20 0 DBADRM O=C([O-])NC1(CNC(=O)CN2CC(=O)NC2=O)CCCCC1 ZINC000740544782 602590290 /nfs/dbraw/zinc/59/02/90/602590290.db2.gz IOMHGAHVJXGUDC-UHFFFAOYSA-N -1 0 312.326 -0.375 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740289962 602593418 /nfs/dbraw/zinc/59/34/18/602593418.db2.gz LRDHUZUEYZIKHK-ZETCQYMHSA-N -1 0 316.339 -0.845 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740341374 602593435 /nfs/dbraw/zinc/59/34/35/602593435.db2.gz MSQBOISNMNPBBN-SSDOTTSWSA-N -1 0 305.298 -0.723 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740341376 602593448 /nfs/dbraw/zinc/59/34/48/602593448.db2.gz MSQBOISNMNPBBN-ZETCQYMHSA-N -1 0 305.298 -0.723 20 0 DBADRM Cc1nc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC000740205836 602593972 /nfs/dbraw/zinc/59/39/72/602593972.db2.gz FEZCVJAFCVTUNF-ZETCQYMHSA-N -1 0 306.286 -0.824 20 0 DBADRM O=C([O-])N[C@@H]1CCCN([C@@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000740573346 602594007 /nfs/dbraw/zinc/59/40/07/602594007.db2.gz FBIITNHUUGNTLT-NXEZZACHSA-N -1 0 319.321 -0.160 20 0 DBADRM O=C([O-])N[C@H]1CCCN([C@@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000740573350 602594032 /nfs/dbraw/zinc/59/40/32/602594032.db2.gz FBIITNHUUGNTLT-VHSXEESVSA-N -1 0 319.321 -0.160 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000740421365 602596672 /nfs/dbraw/zinc/59/66/72/602596672.db2.gz YXUJADTYOPYSDB-ZJUUUORDSA-N -1 0 319.383 -0.137 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000740340273 602607274 /nfs/dbraw/zinc/60/72/74/602607274.db2.gz FAOOOLSKSRJYMN-MRVPVSSYSA-N -1 0 319.325 -0.333 20 0 DBADRM COC[C@@H](C)NC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739809309 602608826 /nfs/dbraw/zinc/60/88/26/602608826.db2.gz YHYHAGSPLJGZAG-LLVKDONJSA-N -1 0 302.375 -0.042 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NCCCN(C)S(C)(=O)=O ZINC000738929233 602617480 /nfs/dbraw/zinc/61/74/80/602617480.db2.gz ROGSTIJMRUHACY-SECBINFHSA-N -1 0 324.403 -0.435 20 0 DBADRM C[C@@H]1CN(CCNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739183820 602624947 /nfs/dbraw/zinc/62/49/47/602624947.db2.gz TXXKINYPQKZIOQ-GHMZBOCLSA-N -1 0 300.359 -0.241 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NC[C@H](O)COCC2CC2)C1 ZINC000740404006 602633366 /nfs/dbraw/zinc/63/33/66/602633366.db2.gz GVBLMLMTNFYICR-MNOVXSKESA-N -1 0 301.343 -0.175 20 0 DBADRM COC1(C(=O)N2CCS(=O)CC2)CCN(C(=O)[O-])CC1 ZINC000739798379 602639020 /nfs/dbraw/zinc/63/90/20/602639020.db2.gz DUVLTFJMBACARY-UHFFFAOYSA-N -1 0 304.368 -0.264 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000739313023 602639800 /nfs/dbraw/zinc/63/98/00/602639800.db2.gz JQSNTQOTKWEBGH-QMMMGPOBSA-N -1 0 300.315 -0.519 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NCC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739034440 602652366 /nfs/dbraw/zinc/65/23/66/602652366.db2.gz AASZQQKEMBYHHS-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM CCOC(=O)N1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000739477313 602657778 /nfs/dbraw/zinc/65/77/78/602657778.db2.gz NFEYVLUNJZJCTN-UHFFFAOYSA-N -1 0 303.315 -0.429 20 0 DBADRM O=C([O-])NCCOCC(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000740668228 602658173 /nfs/dbraw/zinc/65/81/73/602658173.db2.gz NADCDVHURCINKI-UHFFFAOYSA-N -1 0 306.282 -0.115 20 0 DBADRM O=C([O-])NCCOCC(=O)NCCN1C(=O)CSC1=O ZINC000740664814 602661775 /nfs/dbraw/zinc/66/17/75/602661775.db2.gz LDSDTRMNGYMEIW-UHFFFAOYSA-N -1 0 305.312 -0.918 20 0 DBADRM CN(CCOC(=O)CCCN1C(=O)CN(C)C1=O)C(=O)[O-] ZINC000739700219 602662189 /nfs/dbraw/zinc/66/21/89/602662189.db2.gz BEMXCZCUAVNGNF-UHFFFAOYSA-N -1 0 301.299 -0.186 20 0 DBADRM CC(=O)NCC1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000738551864 602662780 /nfs/dbraw/zinc/66/27/80/602662780.db2.gz QIDMHXLKWCHSLT-UHFFFAOYSA-N -1 0 301.343 -0.355 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)COCCNC(=O)[O-])C1 ZINC000738553868 602663121 /nfs/dbraw/zinc/66/31/21/602663121.db2.gz XYPNQVFRVCHYRH-NSHDSACASA-N -1 0 301.343 -0.355 20 0 DBADRM O=C([O-])NCCOCC(=O)Nc1cccnc1-n1cncn1 ZINC000740669588 602663727 /nfs/dbraw/zinc/66/37/27/602663727.db2.gz WBTSZJZQPXDOGC-UHFFFAOYSA-N -1 0 306.282 -0.115 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(N)=NOCC(=O)N1CCO[C@H](C)C1 ZINC000739130276 602672270 /nfs/dbraw/zinc/67/22/70/602672270.db2.gz BWULVPRVGCGCLF-VHSXEESVSA-N -1 0 316.358 -0.022 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)O[C@@H]1CCN(C(=O)[O-])C1 ZINC000740357087 602682210 /nfs/dbraw/zinc/68/22/10/602682210.db2.gz OAMOQXOLORDBND-SECBINFHSA-N -1 0 306.340 -0.293 20 0 DBADRM CC[C@H](O)CN1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC000739262746 602682675 /nfs/dbraw/zinc/68/26/75/602682675.db2.gz BLRGFPGMXUDAIB-QWRGUYRKSA-N -1 0 317.411 -0.046 20 0 DBADRM CC[C@@H](O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000739262735 602682967 /nfs/dbraw/zinc/68/29/67/602682967.db2.gz BLRGFPGMXUDAIB-GHMZBOCLSA-N -1 0 317.411 -0.046 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC000738758519 602683338 /nfs/dbraw/zinc/68/33/38/602683338.db2.gz YJNTWJLMRSTROL-JTQLQIEISA-N -1 0 317.411 -0.046 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)[C@H](CC)NC(=O)[O-])CC1 ZINC000739487139 602683735 /nfs/dbraw/zinc/68/37/35/602683735.db2.gz CDAMUIJRXSNIBB-NEPJUHHUSA-N -1 0 317.386 -0.426 20 0 DBADRM CCN(C1CCN(C(=O)CN(C)C(=O)[O-])CC1)S(C)(=O)=O ZINC000737069343 602687955 /nfs/dbraw/zinc/68/79/55/602687955.db2.gz SKEQFMRSRPINCO-UHFFFAOYSA-N -1 0 321.399 -0.131 20 0 DBADRM CN(CC(=O)Nc1ccn(CCN2CCOCC2)n1)C(=O)[O-] ZINC000737399454 602687975 /nfs/dbraw/zinc/68/79/75/602687975.db2.gz JSNJPHSHEXSQRF-UHFFFAOYSA-N -1 0 311.342 -0.236 20 0 DBADRM CC(C)N(CCC(=O)N1CC[C@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000738837270 602689759 /nfs/dbraw/zinc/68/97/59/602689759.db2.gz DMBOKEJVACVVIM-VIFPVBQESA-N -1 0 307.372 -0.346 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)CC2CCN(C(=O)[O-])CC2)C1 ZINC000740341595 602690062 /nfs/dbraw/zinc/69/00/62/602690062.db2.gz KYAGFGCYVIFUDP-SNVBAGLBSA-N -1 0 319.383 -0.344 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000738949458 602691296 /nfs/dbraw/zinc/69/12/96/602691296.db2.gz KPTDKPXBVNTZTI-DTWKUNHWSA-N -1 0 307.372 -0.187 20 0 DBADRM CN1CCO[C@@H](CNC(=O)c2csc(CNC(=O)[O-])n2)C1 ZINC000739745533 602709869 /nfs/dbraw/zinc/70/98/69/602709869.db2.gz XKOFSSXBCLBJAP-QMMMGPOBSA-N -1 0 314.367 -0.029 20 0 DBADRM NC(=O)[C@H]1Cc2ccccc2N(C(=O)COCCNC(=O)[O-])C1 ZINC000740329923 602711215 /nfs/dbraw/zinc/71/12/15/602711215.db2.gz ZKAFNIVDAKMPAI-NSHDSACASA-N -1 0 321.333 -0.039 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000739318149 602729966 /nfs/dbraw/zinc/72/99/66/602729966.db2.gz XXNOWUKWKVJSCU-MRVPVSSYSA-N -1 0 309.388 -0.133 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000739158937 602722591 /nfs/dbraw/zinc/72/25/91/602722591.db2.gz WEONLDBFTWKJGR-SECBINFHSA-N -1 0 324.341 -0.809 20 0 DBADRM CCNC(=O)N1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC000739465488 602723951 /nfs/dbraw/zinc/72/39/51/602723951.db2.gz USZREVTVYQWAJS-VIFPVBQESA-N -1 0 316.383 -0.087 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739984239 602727032 /nfs/dbraw/zinc/72/70/32/602727032.db2.gz QOKKVACIOFADAW-VIFPVBQESA-N -1 0 307.372 -0.280 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000737857163 602728475 /nfs/dbraw/zinc/72/84/75/602728475.db2.gz BDJKZGPVTITJNC-VIFPVBQESA-N -1 0 307.372 -0.568 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)C1(NC(=O)[O-])CCCC1 ZINC000739464599 602728663 /nfs/dbraw/zinc/72/86/63/602728663.db2.gz HJCGCWREXIGSJM-UHFFFAOYSA-N -1 0 307.372 -0.378 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000736367511 602728787 /nfs/dbraw/zinc/72/87/87/602728787.db2.gz KDTPMQURDFDSLR-MRVPVSSYSA-N -1 0 309.388 -0.277 20 0 DBADRM O=C([O-])NCCC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000738657121 602728849 /nfs/dbraw/zinc/72/88/49/602728849.db2.gz JULUMNWJVUUXSS-UHFFFAOYSA-N -1 0 307.372 -0.520 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NCCN1CCOCC1 ZINC000739153249 602745366 /nfs/dbraw/zinc/74/53/66/602745366.db2.gz NOQPMTSNUCZBQN-LLVKDONJSA-N -1 0 300.359 -0.288 20 0 DBADRM C[C@@H]1CN(C(=S)NCCS(C)(=O)=O)C[C@@H](C)N1C(=O)[O-] ZINC000739178771 602749448 /nfs/dbraw/zinc/74/94/48/602749448.db2.gz ZKVLTVVIRRWZBL-RKDXNWHRSA-N -1 0 323.440 -0.022 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000739155031 602749790 /nfs/dbraw/zinc/74/97/90/602749790.db2.gz RLQBMOVTHYSQDA-GHMZBOCLSA-N -1 0 300.359 -0.289 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@@H](C)N1C(=O)[O-] ZINC000739136635 602752354 /nfs/dbraw/zinc/75/23/54/602752354.db2.gz RPVWXWGONFXUQN-RKDXNWHRSA-N -1 0 312.326 -0.473 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H](C)N1C(=O)[O-] ZINC000739137822 602752474 /nfs/dbraw/zinc/75/24/74/602752474.db2.gz VGJRKUPBJGENRS-AOOOYVTPSA-N -1 0 324.337 -0.854 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739760577 602768857 /nfs/dbraw/zinc/76/88/57/602768857.db2.gz HLJYRBQNMKJHRM-KXUCPTDWSA-N -1 0 301.343 -0.358 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739760576 602768949 /nfs/dbraw/zinc/76/89/49/602768949.db2.gz HLJYRBQNMKJHRM-GUBZILKMSA-N -1 0 301.343 -0.358 20 0 DBADRM C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@@H](C)N1C(=O)[O-] ZINC000739127627 602771395 /nfs/dbraw/zinc/77/13/95/602771395.db2.gz SJQMHKMQSNTXLA-RKDXNWHRSA-N -1 0 307.372 -0.523 20 0 DBADRM O=C(CN(CC1CC1)C(=O)[O-])NCCN1CCCS1(=O)=O ZINC000831460267 602772024 /nfs/dbraw/zinc/77/20/24/602772024.db2.gz KQHGULGJFWPBDH-UHFFFAOYSA-N -1 0 319.383 -0.472 20 0 DBADRM C[C@@H]1CN(Cc2nc(N)nc(N(C)C)n2)CC[C@@H]1NC(=O)[O-] ZINC000739189812 602775309 /nfs/dbraw/zinc/77/53/09/602775309.db2.gz NEDLCYRHBWZFCJ-BDAKNGLRSA-N -1 0 309.374 -0.002 20 0 DBADRM CN(C(=O)CCn1cc[nH]c(=O)c1=O)C1CCN(C(=O)[O-])CC1 ZINC000739572405 602776437 /nfs/dbraw/zinc/77/64/37/602776437.db2.gz OKXOTVYVPFYBBM-UHFFFAOYSA-N -1 0 324.337 -0.473 20 0 DBADRM C[C@H](CC(=O)NCC1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000824635739 602782812 /nfs/dbraw/zinc/78/28/12/602782812.db2.gz KPNCYYRHMVDOAD-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CN(CC(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-])S(C)(=O)=O ZINC000739624032 602808192 /nfs/dbraw/zinc/80/81/92/602808192.db2.gz KKCPJCQMAMISBE-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCOCC2)CC[C@@H]1NC(=O)[O-] ZINC000739189631 602808933 /nfs/dbraw/zinc/80/89/33/602808933.db2.gz IAKAUJIWGBHDGA-UWVGGRQHSA-N -1 0 307.372 -0.459 20 0 DBADRM C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H](C)N1C(=O)[O-] ZINC000739128515 602809321 /nfs/dbraw/zinc/80/93/21/602809321.db2.gz WGWVZILCVLRGOK-AOOOYVTPSA-N -1 0 324.337 -0.474 20 0 DBADRM NC(=O)[C@H]1CCCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC000740327719 602827019 /nfs/dbraw/zinc/82/70/19/602827019.db2.gz OSWHKAGQZZNPCU-QWRGUYRKSA-N -1 0 313.354 -0.131 20 0 DBADRM COC(=O)CCNC(=O)CN1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739763324 602828348 /nfs/dbraw/zinc/82/83/48/602828348.db2.gz VLQWWKIZHWGDCG-UWVGGRQHSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@H](NC(=O)CN1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1)C(=O)N(C)C ZINC000738961015 602828377 /nfs/dbraw/zinc/82/83/77/602828377.db2.gz KITJXHWUHQYSLR-DCAQKATOSA-N -1 0 314.386 -0.348 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCc1nnc2ccccn21 ZINC000740447665 602831150 /nfs/dbraw/zinc/83/11/50/602831150.db2.gz SRZSBUOMKWRDMV-SNVBAGLBSA-N -1 0 319.321 -0.233 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000828684623 602831376 /nfs/dbraw/zinc/83/13/76/602831376.db2.gz YRBMPHSWXHFJLK-VIFPVBQESA-N -1 0 316.310 -0.307 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCNC(=O)c1ccccc1 ZINC000740441921 602836879 /nfs/dbraw/zinc/83/68/79/602836879.db2.gz RIEXIEDQIISEKW-LBPRGKRZSA-N -1 0 321.333 -0.089 20 0 DBADRM CC(=O)NCCCNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000738555970 602837972 /nfs/dbraw/zinc/83/79/72/602837972.db2.gz PAECUKAIEDUTHF-NSHDSACASA-N -1 0 301.343 -0.212 20 0 DBADRM CC(C)(CCC(=O)N1CC[C@H](NS(C)(=O)=O)C1)NC(=O)[O-] ZINC000738741369 602838806 /nfs/dbraw/zinc/83/88/06/602838806.db2.gz WXHTWHVHKLHEBY-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM COCCN(CC(=O)N1CCS(=O)(=O)[C@@H](C)C1)C(=O)[O-] ZINC000739821863 602842284 /nfs/dbraw/zinc/84/22/84/602842284.db2.gz GWLPYHNVEDZYCK-VIFPVBQESA-N -1 0 308.356 -0.742 20 0 DBADRM NS(=O)(=O)CCNC(=O)c1ccc(NC(=O)[O-])cc1O ZINC000740338954 602851377 /nfs/dbraw/zinc/85/13/77/602851377.db2.gz UPNBCYADMNABSN-UHFFFAOYSA-N -1 0 303.296 -0.500 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])NC[C@H]1COCCO1 ZINC000740367717 602856842 /nfs/dbraw/zinc/85/68/42/602856842.db2.gz WQJMVLWKQSLYHW-MNOVXSKESA-N -1 0 302.327 -0.323 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCCN(C(=O)[O-])CC1 ZINC000737599381 602857489 /nfs/dbraw/zinc/85/74/89/602857489.db2.gz YPRGIJIQXUPWGJ-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM COCCCN(CCOC)C(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739810363 602858590 /nfs/dbraw/zinc/85/85/90/602858590.db2.gz LQQPNXXFDIALHH-LLVKDONJSA-N -1 0 304.343 -0.123 20 0 DBADRM CCCN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1CCN(C(=O)[O-])C1 ZINC000826886832 602858804 /nfs/dbraw/zinc/85/88/04/602858804.db2.gz AOIRKYCPCBGWMQ-VIFPVBQESA-N -1 0 324.341 -0.632 20 0 DBADRM CN(C[C@@H]1CCCN(CN2C(=O)C(=O)N(C)C2=O)C1)C(=O)[O-] ZINC000739636735 602858895 /nfs/dbraw/zinc/85/88/95/602858895.db2.gz MARLDTBEDHRUTB-VIFPVBQESA-N -1 0 312.326 -0.314 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CCCN(C(=O)[O-])CC2)C1=O ZINC000738060842 602858933 /nfs/dbraw/zinc/85/89/33/602858933.db2.gz TYTNPRCLQIIABS-CYBMUJFWSA-N -1 0 314.342 -0.414 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CCC[C@@H](NC(=O)[O-])C2)C1=O ZINC000738060910 602859068 /nfs/dbraw/zinc/85/90/68/602859068.db2.gz WJIDVRDYBGTTKD-NOZJJQNGSA-N -1 0 314.342 -0.367 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000739514039 602860311 /nfs/dbraw/zinc/86/03/11/602860311.db2.gz FAWFXMDRGMWMLU-YUMQZZPRSA-N -1 0 310.397 -0.021 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CC[C@H](CNC(=O)[O-])C2)C1=O ZINC000739812059 602861598 /nfs/dbraw/zinc/86/15/98/602861598.db2.gz SANVLWBKYAZPJV-NOZJJQNGSA-N -1 0 314.342 -0.510 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CC[C@@H](CNC(=O)[O-])C2)C1=O ZINC000739812091 602861921 /nfs/dbraw/zinc/86/19/21/602861921.db2.gz SANVLWBKYAZPJV-ZANVPECISA-N -1 0 314.342 -0.510 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])C(=O)NC(C)(C)C ZINC000738960178 602863217 /nfs/dbraw/zinc/86/32/17/602863217.db2.gz UPIQTTPZXZCQLB-BDAKNGLRSA-N -1 0 301.343 -0.215 20 0 DBADRM CC(=O)N(C)C1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000738513064 602864234 /nfs/dbraw/zinc/86/42/34/602864234.db2.gz ZPLBWXKGCQLXDQ-LBPRGKRZSA-N -1 0 313.354 -0.166 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000738758072 602864318 /nfs/dbraw/zinc/86/43/18/602864318.db2.gz QRVSKBRTYQSAGX-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000738758504 602865821 /nfs/dbraw/zinc/86/58/21/602865821.db2.gz XTOWLOMUAOQRNQ-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM CC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000738551761 602867574 /nfs/dbraw/zinc/86/75/74/602867574.db2.gz PBRCOMWLCXTKJB-NEPJUHHUSA-N -1 0 313.354 -0.260 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000739812186 602867766 /nfs/dbraw/zinc/86/77/66/602867766.db2.gz FPTPJCGYLPQAMD-JTQLQIEISA-N -1 0 309.388 -0.069 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000827388978 602871645 /nfs/dbraw/zinc/87/16/45/602871645.db2.gz QWXHILUMDMIYBK-VXGBXAGGSA-N -1 0 317.386 -0.426 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)CC(=O)Nc1ccon1 ZINC000739683911 602873753 /nfs/dbraw/zinc/87/37/53/602873753.db2.gz HWVVWCLWLZBRIF-UHFFFAOYSA-N -1 0 311.342 -0.160 20 0 DBADRM C[C@H](CCNC(=O)N1CCS(=O)(=O)[C@@H](C)C1)NC(=O)[O-] ZINC000738899448 602882949 /nfs/dbraw/zinc/88/29/49/602882949.db2.gz DCVRSIDHWYHSKB-BDAKNGLRSA-N -1 0 307.372 -0.139 20 0 DBADRM C[C@H](CCNC(=O)N1CCS(=O)(=O)[C@H](C)C1)NC(=O)[O-] ZINC000738899451 602882961 /nfs/dbraw/zinc/88/29/61/602882961.db2.gz DCVRSIDHWYHSKB-RKDXNWHRSA-N -1 0 307.372 -0.139 20 0 DBADRM CNC(=O)CCN(C)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739740189 602883736 /nfs/dbraw/zinc/88/37/36/602883736.db2.gz JZXSZRCVGDCFGA-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCN(C)C(=O)[O-])CCS1(=O)=O ZINC000739137608 602884212 /nfs/dbraw/zinc/88/42/12/602884212.db2.gz QLJYPQFJMKPDAM-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM O=C([O-])N(CC(=O)N1CC(n2cncn2)C1)C[C@@H]1CCCO1 ZINC000740489831 602884370 /nfs/dbraw/zinc/88/43/70/602884370.db2.gz DQGUXWHKWZONBR-NSHDSACASA-N -1 0 309.326 -0.180 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000740283881 602886929 /nfs/dbraw/zinc/88/69/29/602886929.db2.gz QWAFISZRQPIVOE-LURJTMIESA-N -1 0 301.328 -0.901 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)NCCCN2C(=O)CNC2=O)o1 ZINC000832697420 602890364 /nfs/dbraw/zinc/89/03/64/602890364.db2.gz BSRXBMAEVSOGND-UHFFFAOYSA-N -1 0 324.293 -0.281 20 0 DBADRM Cn1cnnc1CCNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000740296134 602891270 /nfs/dbraw/zinc/89/12/70/602891270.db2.gz WKKXGYUDXCUNGD-JTQLQIEISA-N -1 0 311.342 -0.367 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000740353620 602891293 /nfs/dbraw/zinc/89/12/93/602891293.db2.gz ZCUJKZHGIDALJL-MNOVXSKESA-N -1 0 309.326 -0.180 20 0 DBADRM NC(=O)Cn1cc(C(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)nn1 ZINC000831199358 602891606 /nfs/dbraw/zinc/89/16/06/602891606.db2.gz ADPIXXARYYILMN-VIFPVBQESA-N -1 0 324.341 -0.727 20 0 DBADRM CCc1nnc2n1CCN(C(=O)[C@@H]1COCCN1C(=O)[O-])C2 ZINC000739558121 602891959 /nfs/dbraw/zinc/89/19/59/602891959.db2.gz LPMJBOKKJKIUKD-VIFPVBQESA-N -1 0 309.326 -0.439 20 0 DBADRM CS(=O)(=O)CCNC(=O)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000739981820 602896021 /nfs/dbraw/zinc/89/60/21/602896021.db2.gz CFTIXAQNIFZBNS-VIFPVBQESA-N -1 0 307.372 -0.137 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)NC(=O)NC1CC1 ZINC000739045500 602897724 /nfs/dbraw/zinc/89/77/24/602897724.db2.gz WJUKQIBGFGQXED-YUMQZZPRSA-N -1 0 313.310 -0.094 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)COC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739718148 602898208 /nfs/dbraw/zinc/89/82/08/602898208.db2.gz SDTSSVSBOAMERJ-LLVKDONJSA-N -1 0 324.337 -0.078 20 0 DBADRM C[C@H](CC(=O)NCCS(=O)(=O)NCC1CCC1)NC(=O)[O-] ZINC000824655992 602900665 /nfs/dbraw/zinc/90/06/65/602900665.db2.gz NYYPIDGHTNPKOY-SECBINFHSA-N -1 0 321.399 -0.132 20 0 DBADRM C[C@@H](NC(=O)COC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)N(C)C ZINC000738965952 602901707 /nfs/dbraw/zinc/90/17/07/602901707.db2.gz XAUAJPNRQPHMCI-RKDXNWHRSA-N -1 0 315.326 -0.878 20 0 DBADRM NC(=O)Cn1cc(C(=O)NC2(CNC(=O)[O-])CCCC2)nn1 ZINC000831199867 602905909 /nfs/dbraw/zinc/90/59/09/602905909.db2.gz LLVUXNLOESOEPZ-UHFFFAOYSA-N -1 0 310.314 -0.926 20 0 DBADRM C[C@@H](NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)C(C)(C)O ZINC000738974094 602907912 /nfs/dbraw/zinc/90/79/12/602907912.db2.gz BUUYQPWKDPJYEX-SECBINFHSA-N -1 0 316.358 -0.733 20 0 DBADRM CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])CC2 ZINC000739558781 602908501 /nfs/dbraw/zinc/90/85/01/602908501.db2.gz VBHLJXQCXGLKHG-UWVGGRQHSA-N -1 0 323.353 -0.350 20 0 DBADRM CC(C)[C@H](CNC(=O)C(C)(C)NS(C)(=O)=O)NC(=O)[O-] ZINC000738775293 602909035 /nfs/dbraw/zinc/90/90/35/602909035.db2.gz PPYXFZXWNNTAPD-QMMMGPOBSA-N -1 0 309.388 -0.277 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000739453974 602909806 /nfs/dbraw/zinc/90/98/06/602909806.db2.gz BTXNQNOCCITXBV-WDEREUQCSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@H](CNC(=O)NCCN(C)C(=O)[O-])CN1CCOCC1 ZINC000738921245 602912425 /nfs/dbraw/zinc/91/24/25/602912425.db2.gz SWUZUYWZVOMEDL-LLVKDONJSA-N -1 0 302.375 -0.136 20 0 DBADRM NC(=O)CCn1ccc(NC(=O)[C@@H]2COCCN2C(=O)[O-])n1 ZINC000740329392 602912893 /nfs/dbraw/zinc/91/28/93/602912893.db2.gz RSRGDBUSKFMUFF-QMMMGPOBSA-N -1 0 311.298 -0.924 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCC[C@@H](O)C(F)(F)F ZINC000740415029 602913569 /nfs/dbraw/zinc/91/35/69/602913569.db2.gz HGGFIJSGLWMKQP-RNFRBKRXSA-N -1 0 300.233 -0.205 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000740475460 602916234 /nfs/dbraw/zinc/91/62/34/602916234.db2.gz LCTUBDIERMRNSG-SNVBAGLBSA-N -1 0 318.293 -0.020 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739662626 602917348 /nfs/dbraw/zinc/91/73/48/602917348.db2.gz BQTGTOVDDSTCHC-UWVGGRQHSA-N -1 0 320.367 -0.742 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000739457923 602932125 /nfs/dbraw/zinc/93/21/25/602932125.db2.gz VQOPZPNQWZMKKT-MNOVXSKESA-N -1 0 300.359 -0.241 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000739840060 602933756 /nfs/dbraw/zinc/93/37/56/602933756.db2.gz ZWKMHDZXOQYIRQ-SECBINFHSA-N -1 0 308.356 -0.742 20 0 DBADRM CC(C)[C@H](CNC(=O)CC1SC(=N)NC1=O)NC(=O)[O-] ZINC000824111647 602947108 /nfs/dbraw/zinc/94/71/08/602947108.db2.gz UQVTUFPVJYWGFW-NKWVEPMBSA-N -1 0 302.356 -0.049 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CCN1C(=O)[O-] ZINC000739124439 602942589 /nfs/dbraw/zinc/94/25/89/602942589.db2.gz HGQGZGCQMVCQQZ-VHSXEESVSA-N -1 0 319.383 -0.379 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)[O-])CC1 ZINC000739993497 602943031 /nfs/dbraw/zinc/94/30/31/602943031.db2.gz ZJMYZAVOBRIQIA-VHSXEESVSA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@H]1CN(C(=O)CCN2CCCS2(=O)=O)CCN1C(=O)[O-] ZINC000739129306 602949013 /nfs/dbraw/zinc/94/90/13/602949013.db2.gz ZNVHDARBLKSDLS-JTQLQIEISA-N -1 0 319.383 -0.377 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[C@H]1NC(=O)[O-] ZINC000739126607 602949236 /nfs/dbraw/zinc/94/92/36/602949236.db2.gz XHFFGUDRNUVVQN-RKDXNWHRSA-N -1 0 309.326 -0.137 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000740574023 602949409 /nfs/dbraw/zinc/94/94/09/602949409.db2.gz JMIDUGVLZUGZGV-OPRDCNLKSA-N -1 0 304.368 -0.026 20 0 DBADRM C[C@H]1CN(C(=O)CCCN2C(=O)CNC2=O)CCN1C(=O)[O-] ZINC000739125422 602950368 /nfs/dbraw/zinc/95/03/68/602950368.db2.gz ACCGUFSNRSOYLV-VIFPVBQESA-N -1 0 312.326 -0.471 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739071446 602955818 /nfs/dbraw/zinc/95/58/18/602955818.db2.gz ALYYIWQGOFEDRY-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000739586736 602956111 /nfs/dbraw/zinc/95/61/11/602956111.db2.gz RJWIRCAKIXHKBI-SECBINFHSA-N -1 0 324.337 -0.702 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC2)[nH]1 ZINC000830752077 602956233 /nfs/dbraw/zinc/95/62/33/602956233.db2.gz SHFMALSTVVJXPK-SECBINFHSA-N -1 0 310.358 -0.196 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)C[C@H]2CCCN2C(=O)[O-])CCO1 ZINC000823580447 602959015 /nfs/dbraw/zinc/95/90/15/602959015.db2.gz SCEDBZCLJUMTBM-VXGBXAGGSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H](CC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)NC(=O)[O-] ZINC000824623465 602959094 /nfs/dbraw/zinc/95/90/94/602959094.db2.gz UEYGLUJWCSZFCG-SCZZXKLOSA-N -1 0 309.326 -0.312 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000737545345 602959251 /nfs/dbraw/zinc/95/92/51/602959251.db2.gz BKJWIPLQXKHCOC-UHFFFAOYSA-N -1 0 309.278 -0.066 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000739991171 602963523 /nfs/dbraw/zinc/96/35/23/602963523.db2.gz KWVHKHNZWYCFNX-IUCAKERBSA-N -1 0 305.356 -0.721 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(=O)[O-])C1 ZINC000739989887 602963569 /nfs/dbraw/zinc/96/35/69/602963569.db2.gz DMNJHNPUYAAXSM-ZJUUUORDSA-N -1 0 319.383 -0.331 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000739309277 602963720 /nfs/dbraw/zinc/96/37/20/602963720.db2.gz WPMGJSOOSPVUHA-RKDXNWHRSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000738948364 602964904 /nfs/dbraw/zinc/96/49/04/602964904.db2.gz GASBADGCBOZXTB-IUCAKERBSA-N -1 0 307.372 -0.139 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739515235 602967245 /nfs/dbraw/zinc/96/72/45/602967245.db2.gz KINXNMDARYHHJV-DTWKUNHWSA-N -1 0 307.372 -0.139 20 0 DBADRM CN(CCCNC(=O)N1CC[C@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC000739670904 602968400 /nfs/dbraw/zinc/96/84/00/602968400.db2.gz UVUDSJRNKAOBNM-VIFPVBQESA-N -1 0 322.387 -0.681 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCS(C)(=O)=O ZINC000739199515 602974201 /nfs/dbraw/zinc/97/42/01/602974201.db2.gz HYMIAPFPQBRUSR-JGVFFNPUSA-N -1 0 308.356 -0.349 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000738757683 602975883 /nfs/dbraw/zinc/97/58/83/602975883.db2.gz LAPWRKDLJNGYKM-BDAKNGLRSA-N -1 0 321.399 -0.133 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000739995633 602977730 /nfs/dbraw/zinc/97/77/30/602977730.db2.gz PBIDFTBRIIBADF-RKDXNWHRSA-N -1 0 307.372 -0.522 20 0 DBADRM CS(=O)(=O)CCNC(=S)N[C@H](CNC(=O)[O-])C1CC1 ZINC000739985022 602980441 /nfs/dbraw/zinc/98/04/41/602980441.db2.gz SQMFXVRHFMALOC-MRVPVSSYSA-N -1 0 309.413 -0.459 20 0 DBADRM O=C([O-])NCC1(NC(=O)CN2CCC(=O)NC2=O)CCCC1 ZINC000740616335 602983741 /nfs/dbraw/zinc/98/37/41/602983741.db2.gz WQATUHWUQJGTBP-UHFFFAOYSA-N -1 0 312.326 -0.375 20 0 DBADRM C[C@H](CC(=O)Nc1ccn(CCS(C)(=O)=O)n1)NC(=O)[O-] ZINC000824710412 602986409 /nfs/dbraw/zinc/98/64/09/602986409.db2.gz IRZPHTABKJOSHG-MRVPVSSYSA-N -1 0 318.355 -0.088 20 0 DBADRM COc1ccc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)cn1 ZINC000739906399 602988251 /nfs/dbraw/zinc/98/82/51/602988251.db2.gz FLMKGMMYVAPDOW-UHFFFAOYSA-N -1 0 322.321 -0.471 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCCCn2cccn2)C(=O)C1 ZINC000740367426 602991695 /nfs/dbraw/zinc/99/16/95/602991695.db2.gz GHBGQCMZVAVIIY-UHFFFAOYSA-N -1 0 309.326 -0.788 20 0 DBADRM CCOC(=O)CN(CC)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739474788 602994667 /nfs/dbraw/zinc/99/46/67/602994667.db2.gz HQEKGLVHBDBXJV-UHFFFAOYSA-N -1 0 315.326 -0.780 20 0 DBADRM C[C@@H]1CN(C(=O)CC2SC(=N)NC2=O)CCN1C(=O)[O-] ZINC000825984274 602995871 /nfs/dbraw/zinc/99/58/71/602995871.db2.gz WMPZTODJCQHOHR-RQJHMYQMSA-N -1 0 300.340 -0.246 20 0 DBADRM CCO[C@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739490588 602996477 /nfs/dbraw/zinc/99/64/77/602996477.db2.gz OFEBYCOSDOKQGE-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM COCCCCCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739809728 602997800 /nfs/dbraw/zinc/99/78/00/602997800.db2.gz CRVMAYYJTUIBSV-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM COc1ccc(N(C)C(=O)CN2CCN(C(=O)[O-])CC2=O)cn1 ZINC000739909711 602997955 /nfs/dbraw/zinc/99/79/55/602997955.db2.gz JVNCDPCNCMHVGD-UHFFFAOYSA-N -1 0 322.321 -0.125 20 0 DBADRM NC(=O)CN1C[C@@H](OC(=O)[C@@H]2CCCN(C(=O)[O-])C2)CC1=O ZINC000738439194 602998816 /nfs/dbraw/zinc/99/88/16/602998816.db2.gz FDEYMHMEORHCRJ-BDAKNGLRSA-N -1 0 313.310 -0.994 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])nn1 ZINC000831200269 603005659 /nfs/dbraw/zinc/00/56/59/603005659.db2.gz YNOYIJWXBPSZBF-BDAKNGLRSA-N -1 0 324.341 -0.680 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCc3cncnc3C2)C(=O)C1 ZINC000740526760 603007016 /nfs/dbraw/zinc/00/70/16/603007016.db2.gz KPMPVNVXJVUUJI-UHFFFAOYSA-N -1 0 319.321 -0.817 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000828200630 603009421 /nfs/dbraw/zinc/00/94/21/603009421.db2.gz XMZQXKGDFQWERD-UWVGGRQHSA-N -1 0 319.383 -0.043 20 0 DBADRM CC(C)COCCCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738827132 603012909 /nfs/dbraw/zinc/01/29/09/603012909.db2.gz MKNQIOUFPFTTJL-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM CN(Cc1cccnc1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739713204 603013663 /nfs/dbraw/zinc/01/36/63/603013663.db2.gz BDMSQNXNTYUCNY-UHFFFAOYSA-N -1 0 306.322 -0.138 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)C2(NC(=O)[O-])CCCC2)CCO1 ZINC000738553344 603013997 /nfs/dbraw/zinc/01/39/97/603013997.db2.gz WHUWIGXWZVQFDS-NSHDSACASA-N -1 0 313.354 -0.070 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000737546457 603014132 /nfs/dbraw/zinc/01/41/32/603014132.db2.gz HQLZULSRFNSQCN-NWDGAFQWSA-N -1 0 313.354 -0.260 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000739532187 603014665 /nfs/dbraw/zinc/01/46/65/603014665.db2.gz VTHSZMJTNYPEGE-VHSXEESVSA-N -1 0 309.326 -0.312 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000740663813 603015284 /nfs/dbraw/zinc/01/52/84/603015284.db2.gz MWCJUWDSOZZPGE-NSHDSACASA-N -1 0 301.343 -0.796 20 0 DBADRM COC(=O)[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C(C)C ZINC000739766294 603015478 /nfs/dbraw/zinc/01/54/78/603015478.db2.gz RCPZXGXOKBWYMG-NSHDSACASA-N -1 0 315.326 -0.878 20 0 DBADRM Cc1cc(CN(C)C(=O)CN2CCN(C(=O)[O-])CC2=O)no1 ZINC000740082643 603015410 /nfs/dbraw/zinc/01/54/10/603015410.db2.gz ZBSLVVMPMMEBMO-UHFFFAOYSA-N -1 0 310.310 -0.236 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000740345512 603016032 /nfs/dbraw/zinc/01/60/32/603016032.db2.gz CAZBXBACOSBPOB-NWDGAFQWSA-N -1 0 313.354 -0.702 20 0 DBADRM CC(C)(CC(=O)NC1CCN(CC(N)=O)CC1)NC(=O)[O-] ZINC000738733480 603016621 /nfs/dbraw/zinc/01/66/21/603016621.db2.gz WMALQNUXHSKDSY-UHFFFAOYSA-N -1 0 300.359 -0.511 20 0 DBADRM CCN(C[C@H]1CCCO1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739412947 603018769 /nfs/dbraw/zinc/01/87/69/603018769.db2.gz CWXZXCLGQQPRKZ-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM CCCCOCCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739334478 603021006 /nfs/dbraw/zinc/02/10/06/603021006.db2.gz NLQHULVJIMWKMG-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CC[C@@H](CNC(=O)[O-])C1)C(C)C ZINC000739805694 603023411 /nfs/dbraw/zinc/02/34/11/603023411.db2.gz QFCGLLDNLDYGLE-JQWIXIFHSA-N -1 0 315.370 -0.110 20 0 DBADRM CN(CCCC(=O)N1CCO[C@H](Cn2cncn2)C1)C(=O)[O-] ZINC000737419431 603027164 /nfs/dbraw/zinc/02/71/64/603027164.db2.gz YNJFEPRCNSCIDD-NSHDSACASA-N -1 0 311.342 -0.105 20 0 DBADRM Cc1ccc(CCNC(=O)CN2CCN(C(=O)[O-])CC2=O)cn1 ZINC000740125232 603029398 /nfs/dbraw/zinc/02/93/98/603029398.db2.gz SRDFOLLHNPCHEJ-UHFFFAOYSA-N -1 0 320.349 -0.129 20 0 DBADRM CC(C)(C)C[C@@H](O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738681563 603030041 /nfs/dbraw/zinc/03/00/41/603030041.db2.gz BNHUWSKOZPCQKW-SNVBAGLBSA-N -1 0 315.370 -0.278 20 0 DBADRM C[C@@H](CNC(=O)CN1CCN(C(=O)[O-])CC1=O)C[C@H](C)O ZINC000739038310 603031856 /nfs/dbraw/zinc/03/18/56/603031856.db2.gz PBISRHGGISVENO-ZJUUUORDSA-N -1 0 301.343 -0.668 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)NCCN1CCCS1(=O)=O ZINC000740571094 603034136 /nfs/dbraw/zinc/03/41/36/603034136.db2.gz OZYLKQUOJLXWHF-ZJUUUORDSA-N -1 0 319.383 -0.426 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000739515088 603035506 /nfs/dbraw/zinc/03/55/06/603035506.db2.gz LFQLFBBJSXBDAG-VHSXEESVSA-N -1 0 321.399 -0.132 20 0 DBADRM C[C@@H](CCNC(=O)NCCN1C(=O)CCC1=O)NC(=O)[O-] ZINC000738899425 603036995 /nfs/dbraw/zinc/03/69/95/603036995.db2.gz DMMVJMPCBBCIOG-QMMMGPOBSA-N -1 0 300.315 -0.519 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NCCN1C(=O)CCC1=O ZINC000739150444 603037697 /nfs/dbraw/zinc/03/76/97/603037697.db2.gz ABTRXBODGLGVPD-SECBINFHSA-N -1 0 312.326 -0.471 20 0 DBADRM CN(CCCNC(=O)NCCN1C(=O)CCC1=O)C(=O)[O-] ZINC000739673586 603037799 /nfs/dbraw/zinc/03/77/99/603037799.db2.gz PWIWJABPKZFAHC-UHFFFAOYSA-N -1 0 300.315 -0.566 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000739992375 603039521 /nfs/dbraw/zinc/03/95/21/603039521.db2.gz QTRNYSFHFXBNJL-NXEZZACHSA-N -1 0 319.383 -0.427 20 0 DBADRM CCN(CCCNC(=O)NCCN1C(=O)CCC1=O)C(=O)[O-] ZINC000739419374 603041814 /nfs/dbraw/zinc/04/18/14/603041814.db2.gz FDXKQPYSFIPPPG-UHFFFAOYSA-N -1 0 314.342 -0.175 20 0 DBADRM O=C([O-])NCCCNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000740648276 603045866 /nfs/dbraw/zinc/04/58/66/603045866.db2.gz MWGGKFTWUYSZLH-UHFFFAOYSA-N -1 0 320.305 -0.106 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)NCCN(C)C(=O)[O-])CCO1 ZINC000738553786 603047376 /nfs/dbraw/zinc/04/73/76/603047376.db2.gz WTFIFINVCNLRIZ-JTQLQIEISA-N -1 0 302.331 -0.857 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)N2CCO[C@@H](Cn3cncn3)C2)C1 ZINC000740506379 603048799 /nfs/dbraw/zinc/04/87/99/603048799.db2.gz YGXDYVKRMVMNGW-WDEREUQCSA-N -1 0 324.341 -0.559 20 0 DBADRM CC(C)(CC(=O)N1CCC[C@@H]1CS(N)(=O)=O)NC(=O)[O-] ZINC000738733053 603050008 /nfs/dbraw/zinc/05/00/08/603050008.db2.gz WUZLDGNJAZKLIC-MRVPVSSYSA-N -1 0 307.372 -0.298 20 0 DBADRM CC(C)N1C(=O)C(=O)N(CN2CCN(C(=O)[O-])[C@H](C)C2)C1=O ZINC000739186304 603051749 /nfs/dbraw/zinc/05/17/49/603051749.db2.gz SIULAZWRRKULJD-SECBINFHSA-N -1 0 312.326 -0.173 20 0 DBADRM COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739809813 603051910 /nfs/dbraw/zinc/05/19/10/603051910.db2.gz HFQHAILZKGJTRH-QMMMGPOBSA-N -1 0 312.282 -0.767 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[O-])CCO1 ZINC000738553360 603052689 /nfs/dbraw/zinc/05/26/89/603052689.db2.gz WSMGIYMCPFZNEG-GRYCIOLGSA-N -1 0 313.354 -0.214 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000739731900 603056004 /nfs/dbraw/zinc/05/60/04/603056004.db2.gz REPHAAOWDBUQOM-NSHDSACASA-N -1 0 312.370 -0.591 20 0 DBADRM CCOC(=O)C1(O)CCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000737134055 603056038 /nfs/dbraw/zinc/05/60/38/603056038.db2.gz MMWZGAONRMCPMH-UHFFFAOYSA-N -1 0 302.327 -0.049 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)CCCNC(=O)[O-])CC2)n1C ZINC000738932619 603056357 /nfs/dbraw/zinc/05/63/57/603056357.db2.gz UXXBKTLXXAVWFM-UHFFFAOYSA-N -1 0 324.385 -0.184 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)CCN1CCCS1(=O)=O)C1CC1 ZINC000740601681 603060830 /nfs/dbraw/zinc/06/08/30/603060830.db2.gz NPXGSFJFPMAIFT-SNVBAGLBSA-N -1 0 319.383 -0.426 20 0 DBADRM CCN(CC)C(=O)CN(C)C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739404096 603062759 /nfs/dbraw/zinc/06/27/59/603062759.db2.gz UKZLFTYWEWVJCD-VHSXEESVSA-N -1 0 301.343 -0.574 20 0 DBADRM Cn1cc(C(=O)NC2CCC(NC(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000740281564 603063976 /nfs/dbraw/zinc/06/39/76/603063976.db2.gz TXVCTOXNEFQQRZ-UHFFFAOYSA-N -1 0 324.337 -0.607 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000739530558 603064960 /nfs/dbraw/zinc/06/49/60/603064960.db2.gz LLESDBJICMTNNS-QMMMGPOBSA-N -1 0 318.355 -0.088 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCNC(=O)c1ccccc1 ZINC000740439397 603065313 /nfs/dbraw/zinc/06/53/13/603065313.db2.gz LMLVDPGKJZYBPL-NWDGAFQWSA-N -1 0 321.333 -0.354 20 0 DBADRM NC(=O)COc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000740332447 603066468 /nfs/dbraw/zinc/06/64/68/603066468.db2.gz VZWIIVOAGIFMIE-KOLCDFICSA-N -1 0 323.305 -0.398 20 0 DBADRM COCCS(=O)(=O)CC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739836303 603069184 /nfs/dbraw/zinc/06/91/84/603069184.db2.gz BXAHHGCRRGGPEF-UHFFFAOYSA-N -1 0 322.383 -0.257 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)C(C)(C)NC(=O)[O-])C2=O)n(C)n1 ZINC000830073296 603069962 /nfs/dbraw/zinc/06/99/62/603069962.db2.gz PJZMYJMSIKAHMX-SECBINFHSA-N -1 0 323.353 -0.004 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000739616598 603071062 /nfs/dbraw/zinc/07/10/62/603071062.db2.gz JCYTVYYEMOVJQZ-NSHDSACASA-N -1 0 321.399 -0.022 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)[C@H](C)NC(=O)[O-])C2=O)n(C)n1 ZINC000830072443 603071787 /nfs/dbraw/zinc/07/17/87/603071787.db2.gz FGZCOHIAUOMLSI-IUCAKERBSA-N -1 0 309.326 -0.394 20 0 DBADRM CN(Cc1cccc(C(N)=O)c1)C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739717472 603071818 /nfs/dbraw/zinc/07/18/18/603071818.db2.gz XFKWLAWKEZTYRB-NWDGAFQWSA-N -1 0 321.333 -0.143 20 0 DBADRM COCCCN(CCOC)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739809892 603071961 /nfs/dbraw/zinc/07/19/61/603071961.db2.gz FJGWSFWYTAPZOI-QWRGUYRKSA-N -1 0 304.343 -0.389 20 0 DBADRM Cc1nnc([C@H]2CN(C(=O)COCCNC(=O)[O-])CCO2)[nH]1 ZINC000740206086 603072053 /nfs/dbraw/zinc/07/20/53/603072053.db2.gz ZVRPNPNUWCFPOH-SECBINFHSA-N -1 0 313.314 -0.703 20 0 DBADRM Cn1ccnc1C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000740299102 603073163 /nfs/dbraw/zinc/07/31/63/603073163.db2.gz ITUDTRXWHSPBEK-SNVBAGLBSA-N -1 0 323.353 -0.344 20 0 DBADRM CC(=O)N(C)C1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000738511586 603073311 /nfs/dbraw/zinc/07/33/11/603073311.db2.gz NSRGTJAGCDWQNI-NWDGAFQWSA-N -1 0 313.354 -0.431 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@@](C)(CNC(=O)[O-])C(C)C ZINC000738551733 603076156 /nfs/dbraw/zinc/07/61/56/603076156.db2.gz OOXIBNLYEVNYIP-ZDUSSCGKSA-N -1 0 316.358 -0.963 20 0 DBADRM CN(CC(=O)OC(C)(C)C)C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739634088 603076845 /nfs/dbraw/zinc/07/68/45/603076845.db2.gz GFVQUFFZPWZCQB-RKDXNWHRSA-N -1 0 302.327 -0.100 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000739985532 603081268 /nfs/dbraw/zinc/08/12/68/603081268.db2.gz YJVANJSGKTWYEV-SECBINFHSA-N -1 0 307.372 -0.234 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739617262 603083945 /nfs/dbraw/zinc/08/39/45/603083945.db2.gz OIYWDDWIXLLFRH-SNVBAGLBSA-N -1 0 321.399 -0.069 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)S(=O)(=O)N(C)C1CCOCC1 ZINC000738941269 603085580 /nfs/dbraw/zinc/08/55/80/603085580.db2.gz LYLIYTOKHMAHAW-VIFPVBQESA-N -1 0 309.388 -0.070 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000739466532 603086164 /nfs/dbraw/zinc/08/61/64/603086164.db2.gz SBUNJWJSRDQVBI-VIFPVBQESA-N -1 0 322.387 -0.729 20 0 DBADRM COCCN(C)S(=O)(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739812163 603086652 /nfs/dbraw/zinc/08/66/52/603086652.db2.gz FIPRAMSSKJSJEU-UHFFFAOYSA-N -1 0 309.388 -0.022 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H](CNC(=O)[O-])C2CC2)CCS1(=O)=O ZINC000739129519 603088237 /nfs/dbraw/zinc/08/82/37/603088237.db2.gz BYRKHXCTMXIXSQ-PSASIEDQSA-N -1 0 319.383 -0.139 20 0 DBADRM COCCN(CC(=O)N[C@@H](C(N)=O)c1ccccc1)C(=O)[O-] ZINC000739822066 603090014 /nfs/dbraw/zinc/09/00/14/603090014.db2.gz IINJDQLYVCUZMW-GFCCVEGCSA-N -1 0 309.322 -0.044 20 0 DBADRM CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739243284 603090063 /nfs/dbraw/zinc/09/00/63/603090063.db2.gz FYQLVAJYMUDONK-XKNYDFJKSA-N -1 0 301.343 -0.481 20 0 DBADRM CCN(CCNC(=O)N1CCS(=O)(=O)C[C@@H]1C)C(=O)[O-] ZINC000739428874 603098324 /nfs/dbraw/zinc/09/83/24/603098324.db2.gz GBLYJLLKKJLVQX-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000737129753 603098642 /nfs/dbraw/zinc/09/86/42/603098642.db2.gz QECCWSHAUXTPJI-UHFFFAOYSA-N -1 0 315.326 -0.732 20 0 DBADRM COCCN(CC(=O)N(C)[C@@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000739813275 603101839 /nfs/dbraw/zinc/10/18/39/603101839.db2.gz MMBWNFNMXRBQAP-VIFPVBQESA-N -1 0 310.372 -0.496 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)CNC(=O)c1ccncc1)C1CC1 ZINC000740603052 603103947 /nfs/dbraw/zinc/10/39/47/603103947.db2.gz SMMVWKBHFWJKND-LLVKDONJSA-N -1 0 306.322 -0.026 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1C(=O)CCN1CCCS1(=O)=O ZINC000832546599 603105002 /nfs/dbraw/zinc/10/50/02/603105002.db2.gz RHFWHKVBQRYEDJ-SNVBAGLBSA-N -1 0 319.383 -0.329 20 0 DBADRM COCCN(CC(=O)N1CCC[C@H]1C(=O)N(C)C)C(=O)[O-] ZINC000739815722 603105513 /nfs/dbraw/zinc/10/55/13/603105513.db2.gz HIAFMBLQZSGKIQ-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM COCCN(CC(=O)N(C)CC(=O)N1CCCC1)C(=O)[O-] ZINC000739813998 603105520 /nfs/dbraw/zinc/10/55/20/603105520.db2.gz PREJMZGVKCGMHI-UHFFFAOYSA-N -1 0 301.343 -0.306 20 0 DBADRM COCCN(CC(=O)NCCN1C(=O)CSC1=O)C(=O)[O-] ZINC000739818533 603107314 /nfs/dbraw/zinc/10/73/14/603107314.db2.gz NYCJHLIDTMEMFN-UHFFFAOYSA-N -1 0 319.339 -0.576 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[O-])CC2)[C@H](C)CO1 ZINC000826074296 603106729 /nfs/dbraw/zinc/10/67/29/603106729.db2.gz LBXOVJIMNVWURV-NXEZZACHSA-N -1 0 307.372 -0.364 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N1CCN(C(=O)[O-])CC1 ZINC000826074299 603106783 /nfs/dbraw/zinc/10/67/83/603106783.db2.gz LBXOVJIMNVWURV-ZJUUUORDSA-N -1 0 307.372 -0.364 20 0 DBADRM COCCN(CC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C)C(=O)[O-] ZINC000739815187 603106887 /nfs/dbraw/zinc/10/68/87/603106887.db2.gz BEISUGULNWACEY-VHSXEESVSA-N -1 0 301.343 -0.275 20 0 DBADRM COCCN(CC(=O)N1CCC[C@@H](CNC(C)=O)C1)C(=O)[O-] ZINC000739816086 603109355 /nfs/dbraw/zinc/10/93/55/603109355.db2.gz KFOLMJXEVNAFGQ-LBPRGKRZSA-N -1 0 315.370 -0.013 20 0 DBADRM COCCN(CC(=O)N(C1CC1)[C@H]1CC(=O)NC1=O)C(=O)[O-] ZINC000739815129 603109406 /nfs/dbraw/zinc/10/94/06/603109406.db2.gz AEPUIFKTMSTJNV-VIFPVBQESA-N -1 0 313.310 -0.981 20 0 DBADRM CC(C)CNC(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738823519 603110607 /nfs/dbraw/zinc/11/06/07/603110607.db2.gz GCKOSTLBTANNGQ-UHFFFAOYSA-N -1 0 315.326 -0.876 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1C(=O)CCCN1C(=O)CNC1=O ZINC000832538212 603110790 /nfs/dbraw/zinc/11/07/90/603110790.db2.gz GNALDZBGMRMHDR-SECBINFHSA-N -1 0 312.326 -0.423 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)CC(C)(C)NC(=O)[O-] ZINC000739731320 603111611 /nfs/dbraw/zinc/11/16/11/603111611.db2.gz OKBIZNGWYCHUFP-UHFFFAOYSA-N -1 0 314.386 -0.345 20 0 DBADRM Cn1cc(CCOC(=O)CN2CCN(C(=O)[O-])CC2=O)cn1 ZINC000740285905 603111728 /nfs/dbraw/zinc/11/17/28/603111728.db2.gz IMLBJZPBAKGXJG-UHFFFAOYSA-N -1 0 310.310 -0.672 20 0 DBADRM CC[C@@H](O)CN1CCN(C(=O)CN(CCOC)C(=O)[O-])CC1 ZINC000739279733 603112161 /nfs/dbraw/zinc/11/21/61/603112161.db2.gz SNWGQTOLFWBRKM-GFCCVEGCSA-N -1 0 317.386 -0.472 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCCNC(=O)[O-])c[nH]1 ZINC000828761418 603113255 /nfs/dbraw/zinc/11/32/55/603113255.db2.gz SYRKRWIOKPCAPJ-UHFFFAOYSA-N -1 0 305.312 -0.263 20 0 DBADRM COCCN(CC(=O)N1CCC[C@@H]1Cn1cncn1)C(=O)[O-] ZINC000739817606 603115139 /nfs/dbraw/zinc/11/51/39/603115139.db2.gz UHPLLJRCSNCZAB-LLVKDONJSA-N -1 0 311.342 -0.105 20 0 DBADRM COCCN(CC(=O)N1CCC[C@H]1Cn1cncn1)C(=O)[O-] ZINC000739817607 603115462 /nfs/dbraw/zinc/11/54/62/603115462.db2.gz UHPLLJRCSNCZAB-NSHDSACASA-N -1 0 311.342 -0.105 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000739310547 603116829 /nfs/dbraw/zinc/11/68/29/603116829.db2.gz DCQQRGFQNFRCRZ-RKDXNWHRSA-N -1 0 307.372 -0.298 20 0 DBADRM CC(C)(C(=O)N[C@@H]1CCCNC1=O)N1CCN(C(=O)[O-])CC1 ZINC000738649053 603124113 /nfs/dbraw/zinc/12/41/13/603124113.db2.gz NJOLYODCEPSYNQ-SNVBAGLBSA-N -1 0 312.370 -0.545 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC000832546502 603127315 /nfs/dbraw/zinc/12/73/15/603127315.db2.gz PIVTUMDGWVCDAL-SECBINFHSA-N -1 0 310.310 -0.815 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)N[C@H]1CCc2ncnn2C1)C1CC1 ZINC000740612230 603128376 /nfs/dbraw/zinc/12/83/76/603128376.db2.gz MHCNNHNYZBXQNC-VHSXEESVSA-N -1 0 308.342 -0.062 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)CN1CCCS1(=O)=O ZINC000832546427 603130603 /nfs/dbraw/zinc/13/06/03/603130603.db2.gz NNOXEONWZLOKBI-VIFPVBQESA-N -1 0 305.356 -0.720 20 0 DBADRM C[C@H](OC(=O)CC(C)(C)NC(=O)[O-])C(=O)N1CCNC1=O ZINC000739040976 603132569 /nfs/dbraw/zinc/13/25/69/603132569.db2.gz BZVVQEKSGSIGTI-ZETCQYMHSA-N -1 0 301.299 -0.094 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)NCC1(O)CCOCC1)C1CC1 ZINC000740607530 603133909 /nfs/dbraw/zinc/13/39/09/603133909.db2.gz DEBKALRVKNXHSM-JTQLQIEISA-N -1 0 301.343 -0.127 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)N2CC[C@@H](CO)C2)CC1 ZINC000740527045 603145419 /nfs/dbraw/zinc/14/54/19/603145419.db2.gz MYXOODJNXSXQPE-GFCCVEGCSA-N -1 0 314.386 -0.304 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCCCN1CCOC1=O ZINC000740721760 603146464 /nfs/dbraw/zinc/14/64/64/603146464.db2.gz UZTQDTAEQKZCMG-IUCAKERBSA-N -1 0 302.283 -0.515 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000829674264 603147360 /nfs/dbraw/zinc/14/73/60/603147360.db2.gz PBWGDCTZEOPUPD-QMMMGPOBSA-N -1 0 314.385 -0.907 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCCCN1CCCC1=O ZINC000740719728 603148776 /nfs/dbraw/zinc/14/87/76/603148776.db2.gz IKFABLNGKINCTB-NXEZZACHSA-N -1 0 300.311 -0.345 20 0 DBADRM CN(C[C@@H]1CCCN1S(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000828230109 603151891 /nfs/dbraw/zinc/15/18/91/603151891.db2.gz MOFAMZZQVXOBPJ-JTQLQIEISA-N -1 0 307.372 -0.362 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)N1CCCCC1 ZINC000740723710 603157483 /nfs/dbraw/zinc/15/74/83/603157483.db2.gz XYCHHKFXPMERGH-NXEZZACHSA-N -1 0 300.311 -0.345 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)N1CCCCC1 ZINC000740723714 603157516 /nfs/dbraw/zinc/15/75/16/603157516.db2.gz XYCHHKFXPMERGH-ZJUUUORDSA-N -1 0 300.311 -0.345 20 0 DBADRM COCCN(CC(=O)O[C@H](C)C(=O)N1CCNC1=O)C(=O)[O-] ZINC000739827840 603162387 /nfs/dbraw/zinc/16/23/87/603162387.db2.gz UASDNMAPUHSTHW-MRVPVSSYSA-N -1 0 317.298 -0.904 20 0 DBADRM CN(CCCNC(=O)[O-])C(=S)NCCN1CCOCC1 ZINC000739676991 603162895 /nfs/dbraw/zinc/16/28/95/603162895.db2.gz QWJPZBZXSDNDHE-UHFFFAOYSA-N -1 0 304.416 -0.217 20 0 DBADRM CNC(=O)NC(=O)[C@@H](C)OC(=O)CN(CCOC)C(=O)[O-] ZINC000739750656 603163762 /nfs/dbraw/zinc/16/37/62/603163762.db2.gz WAFXVHBWVQIRPC-SSDOTTSWSA-N -1 0 305.287 -1.000 20 0 DBADRM Cn1c2ncn(C[C@@H]3CCN(C(=O)[O-])C3)c2c(=O)n(C)c1=O ZINC000740275615 603180482 /nfs/dbraw/zinc/18/04/82/603180482.db2.gz STXLADFIQHJRRE-MRVPVSSYSA-N -1 0 307.310 -0.566 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000739046133 603186149 /nfs/dbraw/zinc/18/61/49/603186149.db2.gz MVJOMXPMLJYELX-VHSXEESVSA-N -1 0 303.384 -0.436 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739517417 603189285 /nfs/dbraw/zinc/18/92/85/603189285.db2.gz XDGOUSKEBATDRI-UWVGGRQHSA-N -1 0 321.399 -0.132 20 0 DBADRM O=C([O-])NCCCNC(=O)CN1CCN(c2ccccn2)CC1 ZINC000740653928 603191956 /nfs/dbraw/zinc/19/19/56/603191956.db2.gz ZPEHPXYWPMUBCK-UHFFFAOYSA-N -1 0 321.381 -0.023 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCc1nncn1C ZINC000739199274 603192332 /nfs/dbraw/zinc/19/23/32/603192332.db2.gz GAZMEMSSAQQTIU-PSASIEDQSA-N -1 0 311.342 -0.023 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000740342042 603193375 /nfs/dbraw/zinc/19/33/75/603193375.db2.gz QFCWFCBKSPWLTP-VWYCJHECSA-N -1 0 309.326 -0.445 20 0 DBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)CN1CC(=O)NC1=O ZINC000738773553 603198086 /nfs/dbraw/zinc/19/80/86/603198086.db2.gz SQHSHBXGNQLWMT-GFCCVEGCSA-N -1 0 300.315 -0.663 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1=O ZINC000737807764 603199130 /nfs/dbraw/zinc/19/91/30/603199130.db2.gz JBKRJUFKQFQHNA-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000737825855 603199133 /nfs/dbraw/zinc/19/91/33/603199133.db2.gz MRPOBUIRLIUVFL-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCc2ccc(S(N)(=O)=O)cc21 ZINC000738982112 603206921 /nfs/dbraw/zinc/20/69/21/603206921.db2.gz BZEUWPZZHZSRCT-ZETCQYMHSA-N -1 0 313.335 -0.121 20 0 DBADRM CCOC(=O)C(NC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)OCC ZINC000739468300 603209075 /nfs/dbraw/zinc/20/90/75/603209075.db2.gz NAWXWSHQUSPCPU-MRVPVSSYSA-N -1 0 316.310 -0.403 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)Cn1cccnc1=O ZINC000739204663 603215668 /nfs/dbraw/zinc/21/56/68/603215668.db2.gz KOHFQPOGBIDORB-UWVGGRQHSA-N -1 0 324.337 -0.137 20 0 DBADRM Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@H](C)NC(=O)[O-])CCO2)n1 ZINC000830735757 603219725 /nfs/dbraw/zinc/21/97/25/603219725.db2.gz UCOKKXUTOFHDNL-LDYMZIIASA-N -1 0 311.342 -0.222 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)[C@H](CC)NC(=O)[O-])CC1 ZINC000739464947 603224634 /nfs/dbraw/zinc/22/46/34/603224634.db2.gz DCMRBNIJUZVJHD-VIFPVBQESA-N -1 0 315.326 -0.734 20 0 DBADRM Cc1cc(N2CCC[C@@H](NC(=O)CN(C)C(=O)[O-])C2=O)n(C)n1 ZINC000830078098 603225176 /nfs/dbraw/zinc/22/51/76/603225176.db2.gz JSPHLMLAVYHIMJ-SNVBAGLBSA-N -1 0 323.353 -0.050 20 0 DBADRM Cc1cc(N2CCC[C@@H](NC(=O)[C@@H](C)NC(=O)[O-])C2=O)n(C)n1 ZINC000830077769 603225339 /nfs/dbraw/zinc/22/53/39/603225339.db2.gz GOQYKCHAXJLOHD-NXEZZACHSA-N -1 0 323.353 -0.004 20 0 DBADRM O=C([O-])NCCOCC(=O)NC[C@H]1CCCN1c1cccnn1 ZINC000740664866 603228761 /nfs/dbraw/zinc/22/87/61/603228761.db2.gz NTUMPYBCVPWEJX-LLVKDONJSA-N -1 0 323.353 -0.154 20 0 DBADRM COCCNC(=O)CNC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739831829 603234057 /nfs/dbraw/zinc/23/40/57/603234057.db2.gz PNCWRXAIVZAUOB-ZJUUUORDSA-N -1 0 301.343 -0.308 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1C(=S)NCCN1CCOCC1 ZINC000832567017 603237949 /nfs/dbraw/zinc/23/79/49/603237949.db2.gz AQVSZZSIQOLNLX-LLVKDONJSA-N -1 0 316.427 -0.075 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000739672205 603238855 /nfs/dbraw/zinc/23/88/55/603238855.db2.gz MYELMLUVWRYPRN-UHFFFAOYSA-N -1 0 323.313 -0.097 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)COCCNC(=O)[O-] ZINC000739072318 603242648 /nfs/dbraw/zinc/24/26/48/603242648.db2.gz CLFOMCPDRIMICP-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM Cc1c(C(=O)NCCCN2CCN(C(=O)[O-])CC2)nnn1C ZINC000740039455 603243070 /nfs/dbraw/zinc/24/30/70/603243070.db2.gz GIQUNTPBIYXPAT-UHFFFAOYSA-N -1 0 310.358 -0.461 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000739323634 603243929 /nfs/dbraw/zinc/24/39/29/603243929.db2.gz ARHSVMGJGZQAMC-LURJTMIESA-N -1 0 320.327 -0.011 20 0 DBADRM CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739597051 603246349 /nfs/dbraw/zinc/24/63/49/603246349.db2.gz PGTWSHPOQDQECD-IUCAKERBSA-N -1 0 301.368 -0.024 20 0 DBADRM CN(CCCNC(=O)[O-])Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000739678961 603252384 /nfs/dbraw/zinc/25/23/84/603252384.db2.gz MMSWZLWLERMVRZ-UHFFFAOYSA-N -1 0 324.341 -0.950 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)CN(CC2CC2)C(=O)[O-])CC1 ZINC000829683921 603261765 /nfs/dbraw/zinc/26/17/65/603261765.db2.gz YYYOKZIGACNGSP-UHFFFAOYSA-N -1 0 319.383 -0.520 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000740341978 603265850 /nfs/dbraw/zinc/26/58/50/603265850.db2.gz NMXPRWXAFSOFQR-KXUCPTDWSA-N -1 0 319.383 -0.298 20 0 DBADRM O=C(CN1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1)NC1CC1 ZINC000740366767 603267531 /nfs/dbraw/zinc/26/75/31/603267531.db2.gz AAFVAJCHSZXFLC-LLVKDONJSA-N -1 0 324.381 -0.591 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)OC ZINC000739760436 603270341 /nfs/dbraw/zinc/27/03/41/603270341.db2.gz KVWDHQUZIAGUIR-YUMQZZPRSA-N -1 0 302.283 -0.793 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739986760 603271807 /nfs/dbraw/zinc/27/18/07/603271807.db2.gz VGSKFPMEBSVVLK-VIFPVBQESA-N -1 0 319.383 -0.474 20 0 DBADRM NC(=O)CN1CCC(NC(=O)C[C@H]2CCCN2C(=O)[O-])CC1 ZINC000831190166 603274135 /nfs/dbraw/zinc/27/41/35/603274135.db2.gz ONGJGNUFJPITPR-LLVKDONJSA-N -1 0 312.370 -0.415 20 0 DBADRM COC(=O)C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])C(=O)OC ZINC000828646117 603275513 /nfs/dbraw/zinc/27/55/13/603275513.db2.gz FEALQRHSPWMNPF-DTWKUNHWSA-N -1 0 316.310 -0.260 20 0 DBADRM CC(C)(C(=O)OCC(=O)NC1CC1)N1CCN(C(=O)[O-])CC1 ZINC000738661315 603276561 /nfs/dbraw/zinc/27/65/61/603276561.db2.gz HGTIUEAHLIERTL-UHFFFAOYSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000739676396 603282937 /nfs/dbraw/zinc/28/29/37/603282937.db2.gz RTPDTAQXNFNOEL-UHFFFAOYSA-N -1 0 322.387 -0.679 20 0 DBADRM O=C([O-])N1CC[C@@H](C(=O)NCCN2C(=O)CSC2=O)C1 ZINC000740441164 603283832 /nfs/dbraw/zinc/28/38/32/603283832.db2.gz WISKHVQEGKPBEY-SSDOTTSWSA-N -1 0 301.324 -0.202 20 0 DBADRM C[C@H](CC(=O)N1CCCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000824590048 603289071 /nfs/dbraw/zinc/28/90/71/603289071.db2.gz JCOVCMBBDLYNNW-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CCCNC(=O)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739367394 603295452 /nfs/dbraw/zinc/29/54/52/603295452.db2.gz PBACYLSASSQMSC-UHFFFAOYSA-N -1 0 312.326 -0.423 20 0 DBADRM O=C([O-])N1CC[C@@H](C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000740433354 603296853 /nfs/dbraw/zinc/29/68/53/603296853.db2.gz OLUBZSRFIIYEFE-SNVBAGLBSA-N -1 0 319.383 -0.472 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000739223337 603298855 /nfs/dbraw/zinc/29/88/55/603298855.db2.gz JCHQCDHQWCSKKG-DAROEXNTSA-N -1 0 312.326 -0.521 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000740340644 603311920 /nfs/dbraw/zinc/31/19/20/603311920.db2.gz HNVKAZIKFJAQQT-IUCAKERBSA-N -1 0 305.356 -0.734 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000739751241 603315141 /nfs/dbraw/zinc/31/51/41/603315141.db2.gz SCNYQOICSVCNDU-NXEZZACHSA-N -1 0 319.383 -0.474 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000828543390 603317469 /nfs/dbraw/zinc/31/74/69/603317469.db2.gz VFFAGOBKEZMRIG-VIFPVBQESA-N -1 0 300.359 -0.641 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000739993264 603317947 /nfs/dbraw/zinc/31/79/47/603317947.db2.gz XYQOSZIGBVYYML-RKDXNWHRSA-N -1 0 305.356 -0.864 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)O[C@H]1CCN(C(=O)[O-])C1 ZINC000740354612 603325258 /nfs/dbraw/zinc/32/52/58/603325258.db2.gz OBKIRKBXGCLKEL-JTQLQIEISA-N -1 0 300.311 -0.079 20 0 DBADRM C[C@@H](CC(=O)Nc1cccc(C(=O)NCC(N)=O)c1)NC(=O)[O-] ZINC000824696475 603325433 /nfs/dbraw/zinc/32/54/33/603325433.db2.gz SXRCVAMOZDNBAN-QMMMGPOBSA-N -1 0 322.321 -0.114 20 0 DBADRM Cn1cc(/C=C\C(=O)O[C@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740286089 603325434 /nfs/dbraw/zinc/32/54/34/603325434.db2.gz BKSYBVPVJCSEGW-XOULXFPDSA-N -1 0 323.305 -0.607 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)CC[C@@H]1NC(=O)[O-] ZINC000739127744 603333258 /nfs/dbraw/zinc/33/32/58/603333258.db2.gz OJOWPAXSAWDVCB-UTLUCORTSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1NC(=O)[O-] ZINC000739127741 603333497 /nfs/dbraw/zinc/33/34/97/603333497.db2.gz OJOWPAXSAWDVCB-BBBLOLIVSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@H](CC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)NC(=O)[O-] ZINC000824584114 603340349 /nfs/dbraw/zinc/34/03/49/603340349.db2.gz XGPPRNLJTQNDIW-BDAKNGLRSA-N -1 0 322.387 -0.936 20 0 DBADRM N=C1NC(=O)C(CC(=O)NC2CCN(C(=O)[O-])CC2)S1 ZINC000831240836 603347237 /nfs/dbraw/zinc/34/72/37/603347237.db2.gz RDRRILMEFXQVCC-SSDOTTSWSA-N -1 0 300.340 -0.199 20 0 DBADRM C[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1NC(=O)[O-] ZINC000739134005 603349317 /nfs/dbraw/zinc/34/93/17/603349317.db2.gz LLSRCOYSXZIZOE-IUCAKERBSA-N -1 0 312.326 -0.615 20 0 DBADRM CCN(CCCNC(=O)C[C@@H](C)NC(=O)[O-])S(C)(=O)=O ZINC000827116621 603375910 /nfs/dbraw/zinc/37/59/10/603375910.db2.gz MQPAEQYASWNOCF-SECBINFHSA-N -1 0 309.388 -0.180 20 0 DBADRM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)COCCNC(=O)[O-])C1 ZINC000739981685 603387382 /nfs/dbraw/zinc/38/73/82/603387382.db2.gz BIEKXAIJDHTOJR-ZJUUUORDSA-N -1 0 322.383 -0.257 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)COCCNC(=O)[O-])C1 ZINC000739981684 603387538 /nfs/dbraw/zinc/38/75/38/603387538.db2.gz BIEKXAIJDHTOJR-VHSXEESVSA-N -1 0 322.383 -0.257 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC[C@H](NC(=O)[O-])C2)n(C)n1 ZINC000738234132 603396136 /nfs/dbraw/zinc/39/61/36/603396136.db2.gz HFBZRRMSLGTMFK-VIFPVBQESA-N -1 0 309.326 -0.074 20 0 DBADRM CC(C)[C@H](CNC(=O)Cn1ncn2nccc2c1=O)NC(=O)[O-] ZINC000738779388 603401179 /nfs/dbraw/zinc/40/11/79/603401179.db2.gz WOLRWKJZCBHQEG-VIFPVBQESA-N -1 0 322.325 -0.701 20 0 DBADRM CC(C)[C@@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)NC(=O)[O-] ZINC000738777486 603413319 /nfs/dbraw/zinc/41/33/19/603413319.db2.gz MZPRKNNPSXXJIW-NXEZZACHSA-N -1 0 321.399 -0.181 20 0 DBADRM CC[C@@H]1C(=O)NCCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739269595 603414556 /nfs/dbraw/zinc/41/45/56/603414556.db2.gz XUYWPZRSDNBVJR-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM NC(=O)Cn1cc(C(=O)NC[C@@H]2CCCCN2C(=O)[O-])nn1 ZINC000831200025 603417907 /nfs/dbraw/zinc/41/79/07/603417907.db2.gz QNDRNZZWIIPKCS-QMMMGPOBSA-N -1 0 310.314 -0.974 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000738951110 603420072 /nfs/dbraw/zinc/42/00/72/603420072.db2.gz PBZYZFFMFZQQFX-VHSXEESVSA-N -1 0 322.383 -0.305 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000738885657 603422035 /nfs/dbraw/zinc/42/20/35/603422035.db2.gz ROQKLPSFDJCVRR-SECBINFHSA-N -1 0 307.310 -0.018 20 0 DBADRM Cn1cc(NC(=O)CCC(C)(C)NC(=O)[O-])c(=O)n(C)c1=O ZINC000740291766 603426318 /nfs/dbraw/zinc/42/63/18/603426318.db2.gz YENMSSGGRPPEAA-UHFFFAOYSA-N -1 0 312.326 -0.151 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000739673699 603427043 /nfs/dbraw/zinc/42/70/43/603427043.db2.gz HTBKFEWDTTXFGH-UHFFFAOYSA-N -1 0 322.321 -0.160 20 0 DBADRM CN(C(=O)CN(C[C@H]1CCCO1)C(=O)[O-])[C@@H]1CCN(C)C1=O ZINC000739733795 603427378 /nfs/dbraw/zinc/42/73/78/603427378.db2.gz WCYDVWRFHZXWCW-GHMZBOCLSA-N -1 0 313.354 -0.166 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])c(=O)[nH]c1=O ZINC000740279013 603435691 /nfs/dbraw/zinc/43/56/91/603435691.db2.gz BLRVQJXHDUJOOB-CBAPKCEASA-N -1 0 310.310 -0.348 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828096212 603435719 /nfs/dbraw/zinc/43/57/19/603435719.db2.gz ZZBQSDMMRIVJBC-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM NC(=O)CN1C[C@@H](OC(=O)CC2(NC(=O)[O-])CCC2)CC1=O ZINC000831189717 603436831 /nfs/dbraw/zinc/43/68/31/603436831.db2.gz DFWOETDCAKRHOL-QMMMGPOBSA-N -1 0 313.310 -0.804 20 0 DBADRM COC(=O)[C@]1(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CCOC1 ZINC000828624158 603441836 /nfs/dbraw/zinc/44/18/36/603441836.db2.gz LMEGCMADFWNXBO-ZDMBXUJBSA-N -1 0 300.311 -0.129 20 0 DBADRM COC(=O)[C@]1(NC(=O)C[C@@H]2CCCN2C(=O)[O-])CCOC1 ZINC000828624033 603441863 /nfs/dbraw/zinc/44/18/63/603441863.db2.gz KGEBSSQQIYRILB-ZANVPECISA-N -1 0 300.311 -0.033 20 0 DBADRM CC(C)[C@H](OC(=O)COC1CN(C(=O)[O-])C1)C(=O)NC(N)=O ZINC000824150473 603444280 /nfs/dbraw/zinc/44/42/80/603444280.db2.gz NYSOFJLNSRDOLX-VIFPVBQESA-N -1 0 317.298 -0.872 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)OCC(=O)N1CCCCC1 ZINC000831542363 603445462 /nfs/dbraw/zinc/44/54/62/603445462.db2.gz VWNYLMNOPZCCRO-UHFFFAOYSA-N -1 0 300.311 -0.079 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000824958485 603445875 /nfs/dbraw/zinc/44/58/75/603445875.db2.gz ABMSNKIYGCAFCP-IUCAKERBSA-N -1 0 309.326 -0.123 20 0 DBADRM NC(=O)CN1C[C@H](OC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1=O ZINC000831190364 603448663 /nfs/dbraw/zinc/44/86/63/603448663.db2.gz VAWGFPAVIYFHNF-XHNCKOQMSA-N -1 0 313.310 -0.948 20 0 DBADRM Nc1nc(N)nc(COC(=O)[C@H]2CSCN2C(=O)[O-])n1 ZINC000831265607 603455642 /nfs/dbraw/zinc/45/56/42/603455642.db2.gz RCFMZUUIMSQUIU-SCSAIBSYSA-N -1 0 300.300 -0.868 20 0 DBADRM CN(C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827738232 603456064 /nfs/dbraw/zinc/45/60/64/603456064.db2.gz HSNRXQDTXITOND-ZJUUUORDSA-N -1 0 321.337 -0.027 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CCNC(=O)[O-] ZINC000826074311 603462046 /nfs/dbraw/zinc/46/20/46/603462046.db2.gz LDBFBASQTKZFAA-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)CNC(=O)[O-])[C@H](C)C1 ZINC000826067348 603462119 /nfs/dbraw/zinc/46/21/19/603462119.db2.gz KKSHYZXWRCBHRT-NXEZZACHSA-N -1 0 321.399 -0.181 20 0 DBADRM CCN(CC(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@@H]1C)C(=O)[O-] ZINC000827002629 603462384 /nfs/dbraw/zinc/46/23/84/603462384.db2.gz OGOCPKSFJYMYNS-UWVGGRQHSA-N -1 0 321.399 -0.228 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827474987 603467392 /nfs/dbraw/zinc/46/73/92/603467392.db2.gz CFGAPYMMUWQNIX-IUCAKERBSA-N -1 0 307.372 -0.522 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)NCC(C)(C)NC(=O)[O-])C[C@@H](C)O1 ZINC000826075634 603470251 /nfs/dbraw/zinc/47/02/51/603470251.db2.gz ZTGATOOHBWLHIF-RKDXNWHRSA-N -1 0 309.388 -0.024 20 0 DBADRM Cc1nc([C@H]2CN(C(=O)N[C@@H]3CCN(C(=O)[O-])C3)CCO2)n[nH]1 ZINC000830678879 603482890 /nfs/dbraw/zinc/48/28/90/603482890.db2.gz RRAPWAUJZCNRQD-NXEZZACHSA-N -1 0 324.341 -0.052 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000831190140 603484764 /nfs/dbraw/zinc/48/47/64/603484764.db2.gz NQDWPRPKPOSTPQ-QWRGUYRKSA-N -1 0 312.370 -0.558 20 0 DBADRM COC(=O)c1cc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cn1C ZINC000828749632 603490948 /nfs/dbraw/zinc/49/09/48/603490948.db2.gz FUELRLWWPANGDC-IUCAKERBSA-N -1 0 311.294 -0.137 20 0 DBADRM C[S@@](=O)CCN1CCN(C[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000829699388 603495689 /nfs/dbraw/zinc/49/56/89/603495689.db2.gz KVWKTTSWBQUKBY-FKIZINRSSA-N -1 0 303.428 -0.018 20 0 DBADRM CN(C(=O)Cn1cnc2c1ncnc2N)[C@H]1CCN(C(=O)[O-])C1 ZINC000827781333 603500741 /nfs/dbraw/zinc/50/07/41/603500741.db2.gz HNQYCRASSLGIPO-QMMMGPOBSA-N -1 0 319.325 -0.381 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000824143521 603502441 /nfs/dbraw/zinc/50/24/41/603502441.db2.gz NMPSCVSZIFMTJG-NXEZZACHSA-N -1 0 321.399 -0.229 20 0 DBADRM CN1CCN(C(=O)CCCn2cncn2)[C@H](CNC(=O)[O-])C1 ZINC000828493713 603509496 /nfs/dbraw/zinc/50/94/96/603509496.db2.gz CCRLVEPWIOOBGX-LLVKDONJSA-N -1 0 310.358 -0.532 20 0 DBADRM CN1CCN(C(=O)COC[C@@H]2CCCO2)[C@@H](CNC(=O)[O-])C1 ZINC000828500201 603510294 /nfs/dbraw/zinc/51/02/94/603510294.db2.gz GWMIGZKNTQBSPW-RYUDHWBXSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@@H](CC(=O)N[C@H]1CCN(C2CCOCC2)C1=O)NC(=O)[O-] ZINC000824622394 603514886 /nfs/dbraw/zinc/51/48/86/603514886.db2.gz LPIKWBVYCUVRBR-ONGXEEELSA-N -1 0 313.354 -0.071 20 0 DBADRM CN1CCN(C(=O)CNC(=O)C(C)(C)C)[C@H](CNC(=O)[O-])C1 ZINC000828501072 603515681 /nfs/dbraw/zinc/51/56/81/603515681.db2.gz UZFBFPHWUWWAEQ-SNVBAGLBSA-N -1 0 314.386 -0.441 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000824020647 603516494 /nfs/dbraw/zinc/51/64/94/603516494.db2.gz TYGCSYLDHULFJL-JTQLQIEISA-N -1 0 313.354 -0.071 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)n1C ZINC000830887144 603521168 /nfs/dbraw/zinc/52/11/68/603521168.db2.gz ACVYVFFXDVKLSQ-NSHDSACASA-N -1 0 324.385 -0.234 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)C1 ZINC000831240656 603524719 /nfs/dbraw/zinc/52/47/19/603524719.db2.gz OTVJEYLLEVFJPI-KXUCPTDWSA-N -1 0 319.383 -0.298 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000824381602 603530200 /nfs/dbraw/zinc/53/02/00/603530200.db2.gz HRRDXTCYQOOJFU-NXEZZACHSA-N -1 0 321.399 -0.133 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NCCNC(=O)[O-])c(C)o1 ZINC000828580078 603530511 /nfs/dbraw/zinc/53/05/11/603530511.db2.gz UFHBQCPQUHRTHE-UHFFFAOYSA-N -1 0 305.312 -0.506 20 0 DBADRM Cc1oc(C(=O)N(C)[C@H](C)CNC(=O)[O-])cc1S(N)(=O)=O ZINC000830943670 603533203 /nfs/dbraw/zinc/53/32/03/603533203.db2.gz YJTOTHDKGVSBOA-ZCFIWIBFSA-N -1 0 319.339 -0.036 20 0 DBADRM Cc1oc(C(=O)N(C)[C@@H](C)CNC(=O)[O-])cc1S(N)(=O)=O ZINC000830943663 603533223 /nfs/dbraw/zinc/53/32/23/603533223.db2.gz YJTOTHDKGVSBOA-LURJTMIESA-N -1 0 319.339 -0.036 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000832269735 603534493 /nfs/dbraw/zinc/53/44/93/603534493.db2.gz LNUQVGJCRKHFDK-NXEZZACHSA-N -1 0 319.383 -0.426 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1=O ZINC000824350160 603545665 /nfs/dbraw/zinc/54/56/65/603545665.db2.gz CCURNMXYACJXGS-ISVAXAHUSA-N -1 0 315.301 -0.270 20 0 DBADRM C[C@@]1(C2CCN(C(=O)CCNC(=O)[O-])CC2)NC(=O)NC1=O ZINC000825744314 603551361 /nfs/dbraw/zinc/55/13/61/603551361.db2.gz NGCAJKZNVOLOQC-ZDUSSCGKSA-N -1 0 312.326 -0.519 20 0 DBADRM CCOC(=O)C1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000827295847 603553905 /nfs/dbraw/zinc/55/39/05/603553905.db2.gz DBTABUBFABAONH-QWRGUYRKSA-N -1 0 314.338 -0.099 20 0 DBADRM Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000830800456 603559748 /nfs/dbraw/zinc/55/97/48/603559748.db2.gz ZZQNCVRERDQIQG-UWVGGRQHSA-N -1 0 309.326 -0.084 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000824128086 603560644 /nfs/dbraw/zinc/56/06/44/603560644.db2.gz CCFIBCUBYULHBR-RYUDHWBXSA-N -1 0 317.386 -0.570 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)CCCNC(=O)[O-] ZINC000828161027 603561350 /nfs/dbraw/zinc/56/13/50/603561350.db2.gz DBYCSGHDTGGIGM-LLVKDONJSA-N -1 0 303.359 -0.814 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)CC1CN(C(=O)[O-])C1 ZINC000828162017 603561604 /nfs/dbraw/zinc/56/16/04/603561604.db2.gz KFLDBFSCYJUNKB-GFCCVEGCSA-N -1 0 315.370 -0.862 20 0 DBADRM CC(C)(C)[S@](=O)CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000823839384 603573820 /nfs/dbraw/zinc/57/38/20/603573820.db2.gz VJGMIMAQAPMSRA-PKPDKRHSSA-N -1 0 306.384 -0.237 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000826021484 603574556 /nfs/dbraw/zinc/57/45/56/603574556.db2.gz SYDKAAUTEGMIFB-MRVPVSSYSA-N -1 0 312.326 -0.473 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)NCCNC(=O)[O-] ZINC000828809522 603576286 /nfs/dbraw/zinc/57/62/86/603576286.db2.gz FVDPEHGQQDPIGM-UHFFFAOYSA-N -1 0 309.325 -0.524 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)NCC(C)(C)NC(=O)[O-] ZINC000831018760 603577323 /nfs/dbraw/zinc/57/73/23/603577323.db2.gz PXWYAZWUEUPPCC-UHFFFAOYSA-N -1 0 318.355 -0.552 20 0 DBADRM CO[C@H](C)c1noc(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])n1 ZINC000828835610 603583098 /nfs/dbraw/zinc/58/30/98/603583098.db2.gz FIYMDVBQFZNQAN-BWZBUEFSSA-N -1 0 315.282 -0.067 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CCCNC(=O)[O-] ZINC000828579052 603584786 /nfs/dbraw/zinc/58/47/86/603584786.db2.gz HWTDNBWKHNHZDS-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H]1CS(=O)(=O)NC ZINC000827514838 603585132 /nfs/dbraw/zinc/58/51/32/603585132.db2.gz VETYQBDFJYHRGF-BDAKNGLRSA-N -1 0 307.372 -0.427 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)OC2CN(C(=O)[O-])C2)C1 ZINC000827474793 603585550 /nfs/dbraw/zinc/58/55/50/603585550.db2.gz AMHOMDGKNQZHGQ-VIFPVBQESA-N -1 0 320.367 -0.047 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)OC2CN(C(=O)[O-])C2)C1 ZINC000827474792 603585731 /nfs/dbraw/zinc/58/57/31/603585731.db2.gz AMHOMDGKNQZHGQ-SECBINFHSA-N -1 0 320.367 -0.047 20 0 DBADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NCCCN2C(=O)CNC2=O)C1 ZINC000832261404 603585826 /nfs/dbraw/zinc/58/58/26/603585826.db2.gz DUWWIONSIKYPKM-BDAKNGLRSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NCCCN2C(=O)CNC2=O)C1 ZINC000832261405 603585883 /nfs/dbraw/zinc/58/58/83/603585883.db2.gz DUWWIONSIKYPKM-DTWKUNHWSA-N -1 0 312.326 -0.519 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NCC2CCN(C(=O)[O-])CC2)c1=O ZINC000830964730 603592312 /nfs/dbraw/zinc/59/23/12/603592312.db2.gz URKVQAJOZLSNPO-UHFFFAOYSA-N -1 0 310.310 -0.394 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])c1=O ZINC000830963949 603595788 /nfs/dbraw/zinc/59/57/88/603595788.db2.gz NNEZXGOQWNFAOR-CBAPKCEASA-N -1 0 310.310 -0.348 20 0 DBADRM CCOCCS(=O)(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000827405979 603597057 /nfs/dbraw/zinc/59/70/57/603597057.db2.gz XEUBPVPLBJFHST-JTQLQIEISA-N -1 0 309.388 -0.764 20 0 DBADRM C[C@@H](COC(=O)Cn1nnc2ccccc2c1=O)NC(=O)[O-] ZINC000824995665 603612910 /nfs/dbraw/zinc/61/29/10/603612910.db2.gz PXCPBDKMBKRGHF-QMMMGPOBSA-N -1 0 306.278 -0.009 20 0 DBADRM O=C([O-])N1CCN(CCCNc2nccn3nnnc23)CC1 ZINC000832031561 603621025 /nfs/dbraw/zinc/62/10/25/603621025.db2.gz RJMUWEVTPUEOGQ-UHFFFAOYSA-N -1 0 306.330 -0.383 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000737609805 603621524 /nfs/dbraw/zinc/62/15/24/603621524.db2.gz SWKZPSNVRWGYEG-BDAKNGLRSA-N -1 0 307.372 -0.442 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000823947184 603622520 /nfs/dbraw/zinc/62/25/20/603622520.db2.gz QWKSOOOGFKQWIJ-UHFFFAOYSA-N -1 0 312.326 -0.519 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)C2(NC(=O)[O-])CCCC2)C1 ZINC000831239605 603622970 /nfs/dbraw/zinc/62/29/70/603622970.db2.gz IOZTZSCIJBUCPV-SECBINFHSA-N -1 0 319.383 -0.154 20 0 DBADRM C[C@@H]1CN(C(=O)NCCNC(=O)[O-])C[C@H]1N1CCOCC1 ZINC000826003095 603629401 /nfs/dbraw/zinc/62/94/01/603629401.db2.gz WRBOWORIRPRJEA-GHMZBOCLSA-N -1 0 300.359 -0.384 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)C(C)(C)CNC(=O)[O-])CC1 ZINC000823560507 603630865 /nfs/dbraw/zinc/63/08/65/603630865.db2.gz AAFFOSDKBPMSTB-UHFFFAOYSA-N -1 0 314.386 -0.440 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CCO1 ZINC000823580475 603631983 /nfs/dbraw/zinc/63/19/83/603631983.db2.gz SWHSHVMSAZAOTR-IJLUTSLNSA-N -1 0 313.354 -0.214 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCO[C@@H](Cn3cncn3)C2)C1 ZINC000832252937 603633725 /nfs/dbraw/zinc/63/37/25/603633725.db2.gz DCENWNSHSPOCSW-IJLUTSLNSA-N -1 0 323.353 -0.058 20 0 DBADRM COCC(=O)N1CCN(C(=O)C(C)(C)CNC(=O)[O-])CC1 ZINC000828880489 603634144 /nfs/dbraw/zinc/63/41/44/603634144.db2.gz KZMDWIFVVHQDLO-UHFFFAOYSA-N -1 0 301.343 -0.403 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000827524397 603640307 /nfs/dbraw/zinc/64/03/07/603640307.db2.gz KEDSVSGMLMGKRN-UJVNDKKSSA-N -1 0 312.326 -0.473 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000831778451 603640508 /nfs/dbraw/zinc/64/05/08/603640508.db2.gz QQFPUEUHPZJUFQ-VHSXEESVSA-N -1 0 318.293 -0.082 20 0 DBADRM O=C([O-])NCCCC(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000832609027 603641881 /nfs/dbraw/zinc/64/18/81/603641881.db2.gz OKWTUFNQKLOULJ-OQPBUACISA-N -1 0 312.326 -0.471 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)c1C ZINC000830846182 603645141 /nfs/dbraw/zinc/64/51/41/603645141.db2.gz LOBDUGCYZRMSEB-JTQLQIEISA-N -1 0 323.305 -0.125 20 0 DBADRM NC(=O)CN1CCN(C(=O)C2(CNC(=O)[O-])CCCC2)CC1 ZINC000831190312 603645107 /nfs/dbraw/zinc/64/51/07/603645107.db2.gz TUWCBEIUEWOJBL-UHFFFAOYSA-N -1 0 312.370 -0.556 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCOCC(F)(F)F ZINC000831694603 603645815 /nfs/dbraw/zinc/64/58/15/603645815.db2.gz WNDKQBXIKOUUKJ-BQBZGAKWSA-N -1 0 300.233 -0.205 20 0 DBADRM COC(=O)CN(C)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000828683004 603647599 /nfs/dbraw/zinc/64/75/99/603647599.db2.gz DUFCAAQDKNHGBX-UHFFFAOYSA-N -1 0 301.343 -0.308 20 0 DBADRM Cn1cnnc1C1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000831045880 603652562 /nfs/dbraw/zinc/65/25/62/603652562.db2.gz CMDRSOHCYKFTHP-QWRGUYRKSA-N -1 0 323.353 -0.366 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000828567038 603652657 /nfs/dbraw/zinc/65/26/57/603652657.db2.gz PIILUSCNLXLQJU-NEPJUHHUSA-N -1 0 321.333 -0.224 20 0 DBADRM Cn1cnnc1C1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000831045881 603652721 /nfs/dbraw/zinc/65/27/21/603652721.db2.gz CMDRSOHCYKFTHP-WDEREUQCSA-N -1 0 323.353 -0.366 20 0 DBADRM Cc1nn(C)c(C)c1CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000830853570 603654925 /nfs/dbraw/zinc/65/49/25/603654925.db2.gz YNRRYZIZMYDLAU-ZYHUDNBSSA-N -1 0 310.354 -0.191 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000823947110 603657579 /nfs/dbraw/zinc/65/75/79/603657579.db2.gz OULGCBGJRVUXJO-UHFFFAOYSA-N -1 0 321.399 -0.193 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000827846261 603660891 /nfs/dbraw/zinc/66/08/91/603660891.db2.gz HPLSWFYLZVUGKY-VHSXEESVSA-N -1 0 308.342 -0.013 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000827846259 603661057 /nfs/dbraw/zinc/66/10/57/603661057.db2.gz HPLSWFYLZVUGKY-NXEZZACHSA-N -1 0 308.342 -0.013 20 0 DBADRM CC1(C)CN(C(=O)NCCCNC(=O)[O-])CCS1(=O)=O ZINC000825720027 603663831 /nfs/dbraw/zinc/66/38/31/603663831.db2.gz ZTHJKSPGGSUBIJ-UHFFFAOYSA-N -1 0 307.372 -0.137 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000824191028 603665003 /nfs/dbraw/zinc/66/50/03/603665003.db2.gz RYRLFFCWOJPGAS-ZJUUUORDSA-N -1 0 316.358 -0.436 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)NCC(C)(C)NC(=O)[O-] ZINC000823779005 603666422 /nfs/dbraw/zinc/66/64/22/603666422.db2.gz QKBXEZIMCKOGEF-UHFFFAOYSA-N -1 0 309.388 -0.133 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NCC(C)(C)NC(=O)[O-])nn1 ZINC000827966721 603667451 /nfs/dbraw/zinc/66/74/51/603667451.db2.gz OCOOLYPNTXNMCZ-UHFFFAOYSA-N -1 0 312.330 -0.858 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000831757022 603669908 /nfs/dbraw/zinc/66/99/08/603669908.db2.gz IQJAEJAWCGXAJL-NXEZZACHSA-N -1 0 318.293 -0.286 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)O[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824035381 603672910 /nfs/dbraw/zinc/67/29/10/603672910.db2.gz PNIZDUKBTRMQMI-MRVPVSSYSA-N -1 0 308.356 0.000 20 0 DBADRM CNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000828543837 603676187 /nfs/dbraw/zinc/67/61/87/603676187.db2.gz ZMHDQTSBKYEDFD-OQPBUACISA-N -1 0 312.326 -0.519 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)C(C)(C)CNC(=O)[O-])CCO1 ZINC000823580311 603677261 /nfs/dbraw/zinc/67/72/61/603677261.db2.gz RCHUQJDEXDGSEZ-JTQLQIEISA-N -1 0 301.343 -0.356 20 0 DBADRM COC(=O)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000828703427 603681109 /nfs/dbraw/zinc/68/11/09/603681109.db2.gz BJKKRTFLGOCLKX-BDAKNGLRSA-N -1 0 301.299 -0.990 20 0 DBADRM C[C@H](CC(=O)N1CCN(C(C)(C)C(N)=O)CC1)NC(=O)[O-] ZINC000824590766 603682776 /nfs/dbraw/zinc/68/27/76/603682776.db2.gz MNBDIVGAVYUGPJ-SECBINFHSA-N -1 0 300.359 -0.559 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000824841203 603682778 /nfs/dbraw/zinc/68/27/78/603682778.db2.gz PQWRBWPKFCWKDV-JTQLQIEISA-N -1 0 314.386 -0.360 20 0 DBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)CC1CN(C(=O)[O-])C1 ZINC000829669573 603682813 /nfs/dbraw/zinc/68/28/13/603682813.db2.gz OFOXGSXONGNWQS-SNVBAGLBSA-N -1 0 322.408 -0.068 20 0 DBADRM CN(C(=O)CN1CCCS1(=O)=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827764748 603682939 /nfs/dbraw/zinc/68/29/39/603682939.db2.gz HHDLRMMGWNSXLB-SECBINFHSA-N -1 0 305.356 -0.767 20 0 DBADRM CN(C(=O)CC1SC(=N)NC1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827754632 603682963 /nfs/dbraw/zinc/68/29/63/603682963.db2.gz ZRVMGOQVBHKNLZ-RNFRBKRXSA-N -1 0 300.340 -0.246 20 0 DBADRM NC(=O)Cc1csc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])n1 ZINC000831200326 603684588 /nfs/dbraw/zinc/68/45/88/603684588.db2.gz ZTMHXDACOZMHNH-NKWVEPMBSA-N -1 0 314.323 -0.777 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)CCn2cccc2)CC1 ZINC000831442242 603686402 /nfs/dbraw/zinc/68/64/02/603686402.db2.gz XEKWIHGYAGPSCK-UHFFFAOYSA-N -1 0 308.338 -0.183 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)NCCNS(C)(=O)=O)C(=O)[O-] ZINC000828200570 603687030 /nfs/dbraw/zinc/68/70/30/603687030.db2.gz XCXQGPXMSHCNQU-VIFPVBQESA-N -1 0 322.387 -0.681 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000829687315 603687292 /nfs/dbraw/zinc/68/72/92/603687292.db2.gz KIHXDLGLFAQBEC-BDAKNGLRSA-N -1 0 322.387 -0.729 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000829668878 603696263 /nfs/dbraw/zinc/69/62/63/603696263.db2.gz HZBKKDGEVPKKJQ-VIFPVBQESA-N -1 0 319.383 -0.137 20 0 DBADRM CNC(=O)CCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000828538364 603699083 /nfs/dbraw/zinc/69/90/83/603699083.db2.gz VNWYNDLPLDGDMX-UHFFFAOYSA-N -1 0 300.359 -0.687 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000831260309 603699927 /nfs/dbraw/zinc/69/99/27/603699927.db2.gz MXNOCQQUXMXBTK-LURJTMIESA-N -1 0 311.298 -0.268 20 0 DBADRM CNC(=O)C1CCC(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000828531982 603706308 /nfs/dbraw/zinc/70/63/08/603706308.db2.gz MCTLEIKZUROYRQ-WFBLGPOFSA-N -1 0 313.354 -0.479 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NC[C@H]1CCCS1 ZINC000831489551 603709111 /nfs/dbraw/zinc/70/91/11/603709111.db2.gz UGFYVOVTEHLNAM-SECBINFHSA-N -1 0 301.368 -0.180 20 0 DBADRM O=C([O-])N1CC(CC(=O)NCCC(=O)Nc2ccncc2)C1 ZINC000831356348 603717592 /nfs/dbraw/zinc/71/75/92/603717592.db2.gz XCAJOLWDEMXBKO-UHFFFAOYSA-N -1 0 306.322 -0.052 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000832662080 603719695 /nfs/dbraw/zinc/71/96/95/603719695.db2.gz IFNWRAVHABVCPO-GHMZBOCLSA-N -1 0 302.327 -0.323 20 0 DBADRM CCc1nnc2n1C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])CC2 ZINC000827655546 603723046 /nfs/dbraw/zinc/72/30/46/603723046.db2.gz ICXZBDZMTQCKJK-UTLUCORTSA-N -1 0 323.353 -0.615 20 0 DBADRM COC[C@@](C)(NC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)OC ZINC000828885715 603724984 /nfs/dbraw/zinc/72/49/84/603724984.db2.gz MHJJTGSITIKEDG-NEPJUHHUSA-N -1 0 306.290 -0.227 20 0 DBADRM Cn1ccnc(N2CCN(C(=O)CCNC(=O)[O-])CC2)c1=O ZINC000831026558 603726017 /nfs/dbraw/zinc/72/60/17/603726017.db2.gz FLTZZAHZSRMKKG-UHFFFAOYSA-N -1 0 309.326 -0.913 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCC(C2OCCO2)CC1 ZINC000831273598 603731053 /nfs/dbraw/zinc/73/10/53/603731053.db2.gz ROLSBVLXQXCXAV-MNOVXSKESA-N -1 0 314.338 -0.289 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCC(C2OCCO2)CC1 ZINC000831273602 603731149 /nfs/dbraw/zinc/73/11/49/603731149.db2.gz ROLSBVLXQXCXAV-WDEREUQCSA-N -1 0 314.338 -0.289 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCN(c2cccnn2)CC1 ZINC000831273926 603731222 /nfs/dbraw/zinc/73/12/22/603731222.db2.gz UIQAICVEKVMNHN-QWRGUYRKSA-N -1 0 321.337 -0.762 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(c2cccnn2)CC1 ZINC000831273928 603731336 /nfs/dbraw/zinc/73/13/36/603731336.db2.gz UIQAICVEKVMNHN-WDEREUQCSA-N -1 0 321.337 -0.762 20 0 DBADRM CCN(CC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O)C(=O)[O-] ZINC000827002797 603736546 /nfs/dbraw/zinc/73/65/46/603736546.db2.gz SSGWSODXPSNDLR-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@H](CC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O)NC(=O)[O-] ZINC000824636628 603736778 /nfs/dbraw/zinc/73/67/78/603736778.db2.gz PBDUQFHKFRQWKU-OPRDCNLKSA-N -1 0 321.399 -0.133 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)CCCNC(=O)[O-] ZINC000829689123 603737367 /nfs/dbraw/zinc/73/73/67/603737367.db2.gz ZKEMJPOBSRTCFH-ZJUUUORDSA-N -1 0 321.399 -0.132 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CCCNC(=O)[O-] ZINC000829689122 603737667 /nfs/dbraw/zinc/73/76/67/603737667.db2.gz ZKEMJPOBSRTCFH-VHSXEESVSA-N -1 0 321.399 -0.132 20 0 DBADRM CO[C@@H](CNC(=O)CN1CCN(C(=O)[O-])CC1=O)C(C)(C)C ZINC000828844475 603740034 /nfs/dbraw/zinc/74/00/34/603740034.db2.gz VXLFFSDROAZLLW-JTQLQIEISA-N -1 0 315.370 -0.014 20 0 DBADRM CN(C(=O)COC1CN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000827776124 603741764 /nfs/dbraw/zinc/74/17/64/603741764.db2.gz YMILTLKETFIIMZ-MRVPVSSYSA-N -1 0 306.340 -0.989 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])n1 ZINC000828698880 603743190 /nfs/dbraw/zinc/74/31/90/603743190.db2.gz ABPZQKDYULMBKK-SFYZADRCSA-N -1 0 312.282 -0.892 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828641885 603743664 /nfs/dbraw/zinc/74/36/64/603743664.db2.gz RPIGWSFEYOFSFD-ZJUUUORDSA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@H](CNC(=O)COC1CN(C(=O)[O-])C1)N1CCOCC1 ZINC000824923035 603745027 /nfs/dbraw/zinc/74/50/27/603745027.db2.gz VYYZBTMJLFDSGX-SNVBAGLBSA-N -1 0 301.343 -0.798 20 0 DBADRM O=C([O-])N1CC(OCC(=O)NCC(=O)NCC(F)(F)F)C1 ZINC000831492374 603747373 /nfs/dbraw/zinc/74/73/73/603747373.db2.gz BZOBYXVKWLBIIS-UHFFFAOYSA-N -1 0 313.232 -0.840 20 0 DBADRM C[C@H](NC(=O)COC1CN(C(=O)[O-])C1)C(=O)NC(C)(C)C ZINC000825125673 603748629 /nfs/dbraw/zinc/74/86/29/603748629.db2.gz AYFOVSJIFUBBFM-QMMMGPOBSA-N -1 0 301.343 -0.215 20 0 DBADRM C[C@]1(c2ccc(C(=O)NCCNC(=O)[O-])cc2)NC(=O)NC1=O ZINC000825766698 603750170 /nfs/dbraw/zinc/75/01/70/603750170.db2.gz SEDFYFMKYSZEKO-CQSZACIVSA-N -1 0 320.305 -0.261 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN(C(=O)c2nc3n(n2)CCCN3)C1 ZINC000832534579 603750342 /nfs/dbraw/zinc/75/03/42/603750342.db2.gz XPFRZCUIEVCRAE-VIFPVBQESA-N -1 0 308.342 -0.529 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000831852113 603753706 /nfs/dbraw/zinc/75/37/06/603753706.db2.gz IWUDUPFLAQDQSS-JTQLQIEISA-N -1 0 312.244 -0.109 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)C(C)(C)CNC(=O)[O-])n1 ZINC000828076978 603754450 /nfs/dbraw/zinc/75/44/50/603754450.db2.gz HJRIOWGTBSIZNM-UHFFFAOYSA-N -1 0 312.330 -0.143 20 0 DBADRM COC(=O)CSCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000828688052 603758275 /nfs/dbraw/zinc/75/82/75/603758275.db2.gz GHDUSINAXWOBEK-HTQZYQBOSA-N -1 0 306.340 -0.878 20 0 DBADRM C[C@@H](OC(=O)C1(CNC(=O)[O-])CCCC1)C(=O)NC(N)=O ZINC000825543749 603759977 /nfs/dbraw/zinc/75/99/77/603759977.db2.gz GUHQKQAAMDTAGS-SSDOTTSWSA-N -1 0 301.299 -0.059 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CC1=O ZINC000828489043 603762976 /nfs/dbraw/zinc/76/29/76/603762976.db2.gz QHPOIXGVOCXIRC-UHFFFAOYSA-N -1 0 321.293 -0.589 20 0 DBADRM C[C@@H](CCNC(=O)N1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000824794045 603763484 /nfs/dbraw/zinc/76/34/84/603763484.db2.gz RHFQWWNHTACSEI-VIFPVBQESA-N -1 0 322.387 -0.681 20 0 DBADRM NC(=O)C[C@@H](NC(=O)CCCNC(=O)[O-])C1CCOCC1 ZINC000831178071 603766360 /nfs/dbraw/zinc/76/63/60/603766360.db2.gz FAFIRDTVMOCBKD-SNVBAGLBSA-N -1 0 301.343 -0.179 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)COC1CN(C(=O)[O-])C1 ZINC000827472742 603768070 /nfs/dbraw/zinc/76/80/70/603768070.db2.gz YOYARPYMDGUBTH-MRVPVSSYSA-N -1 0 308.356 -0.695 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CCCn2ncnc21 ZINC000831485810 603768196 /nfs/dbraw/zinc/76/81/96/603768196.db2.gz WUVHVCHYSQIJAC-VIFPVBQESA-N -1 0 322.325 -0.949 20 0 DBADRM Cc1nnc(CN(C)CC(=O)NC[C@H]2CCCN2C(=O)[O-])n1C ZINC000830887553 603770167 /nfs/dbraw/zinc/77/01/67/603770167.db2.gz NNAQCXODPQULMI-LLVKDONJSA-N -1 0 324.385 -0.186 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)n(C)n1 ZINC000830089971 603771236 /nfs/dbraw/zinc/77/12/36/603771236.db2.gz PMSKNAKHRRHXRZ-SECBINFHSA-N -1 0 309.326 -0.122 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000829670048 603771770 /nfs/dbraw/zinc/77/17/70/603771770.db2.gz TYKWZKRKSGKZNL-SECBINFHSA-N -1 0 304.368 -0.073 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000824833804 603772526 /nfs/dbraw/zinc/77/25/26/603772526.db2.gz QRUSTQAYIBRFHF-SECBINFHSA-N -1 0 301.343 -0.452 20 0 DBADRM CC[C@H](NC(=O)[C@H](C)CN(C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000826592858 603773888 /nfs/dbraw/zinc/77/38/88/603773888.db2.gz ODLVMFVKWDVOCW-MNOVXSKESA-N -1 0 315.370 -0.014 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cnn1C ZINC000829876664 603776138 /nfs/dbraw/zinc/77/61/38/603776138.db2.gz HLCOWHBUHJXMSS-VIFPVBQESA-N -1 0 309.326 -0.074 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCOC[C@@H]1CCOC1 ZINC000831693789 603776433 /nfs/dbraw/zinc/77/64/33/603776433.db2.gz OJZHHGQCJZPKAZ-GMTAPVOTSA-N -1 0 302.327 -0.731 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCN(C(=O)[O-])C[C@H]2C)cnn1C ZINC000829877790 603776813 /nfs/dbraw/zinc/77/68/13/603776813.db2.gz UTWILFOXXQOFDK-MRVPVSSYSA-N -1 0 309.326 -0.122 20 0 DBADRM CNC(=O)Cc1noc(CN2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)n1 ZINC000828547135 603780043 /nfs/dbraw/zinc/78/00/43/603780043.db2.gz LFUUMPXPHMODCE-IUCAKERBSA-N -1 0 311.342 -0.069 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000824204703 603780561 /nfs/dbraw/zinc/78/05/61/603780561.db2.gz VAGNKYGXEIBOTL-LURJTMIESA-N -1 0 313.314 -0.118 20 0 DBADRM CCCNC(=O)NC(=O)COC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000826925669 603783417 /nfs/dbraw/zinc/78/34/17/603783417.db2.gz JHEJAWSETZJLQH-GFCCVEGCSA-N -1 0 319.289 -0.143 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000831273464 603784841 /nfs/dbraw/zinc/78/48/41/603784841.db2.gz QSSQTJSSNGQKDV-SRVKXCTJSA-N -1 0 324.337 -0.776 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000831273467 603785174 /nfs/dbraw/zinc/78/51/74/603785174.db2.gz QSSQTJSSNGQKDV-WOPDTQHZSA-N -1 0 324.337 -0.776 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)N2CCN3C(=O)NC[C@H]3C2)o1 ZINC000832684607 603785830 /nfs/dbraw/zinc/78/58/30/603785830.db2.gz UENHFLSWPGTWDH-QMMMGPOBSA-N -1 0 308.294 -0.103 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 ZINC000831895361 603785914 /nfs/dbraw/zinc/78/59/14/603785914.db2.gz MXBDCFNQKCPDDH-PRHODGIISA-N -1 0 300.290 -0.686 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000831283528 603785992 /nfs/dbraw/zinc/78/59/92/603785992.db2.gz OQSOTCZLPJTWDD-SFYZADRCSA-N -1 0 300.340 -0.725 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000831273692 603786514 /nfs/dbraw/zinc/78/65/14/603786514.db2.gz SMWDRKFAPUHSBO-UWVGGRQHSA-N -1 0 321.337 -0.389 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828684398 603787305 /nfs/dbraw/zinc/78/73/05/603787305.db2.gz UTLGARIGQNSVCI-KRTXAFLBSA-N -1 0 320.273 -0.701 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCN1CCSCC1 ZINC000831689685 603789584 /nfs/dbraw/zinc/78/95/84/603789584.db2.gz VWKGARVPOJXKMH-UWVGGRQHSA-N -1 0 303.384 -0.735 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000828600573 603790876 /nfs/dbraw/zinc/79/08/76/603790876.db2.gz KEMAXFUCBBUKLC-RKDXNWHRSA-N -1 0 308.356 -0.285 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000828600572 603790971 /nfs/dbraw/zinc/79/09/71/603790971.db2.gz KEMAXFUCBBUKLC-IUCAKERBSA-N -1 0 308.356 -0.285 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000828599518 603791263 /nfs/dbraw/zinc/79/12/63/603791263.db2.gz AMBJEOPTHSQLMW-RKDXNWHRSA-N -1 0 308.356 -0.191 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000828599897 603791276 /nfs/dbraw/zinc/79/12/76/603791276.db2.gz FMHGGAMFAIOSPB-BDAKNGLRSA-N -1 0 308.356 -0.143 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828601130 603793306 /nfs/dbraw/zinc/79/33/06/603793306.db2.gz MPMLXKZRDVVRAF-DTWKUNHWSA-N -1 0 308.356 -0.191 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000828601131 603793476 /nfs/dbraw/zinc/79/34/76/603793476.db2.gz MPMLXKZRDVVRAF-IUCAKERBSA-N -1 0 308.356 -0.191 20 0 DBADRM C[C@@H](OC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000825543401 603794743 /nfs/dbraw/zinc/79/47/43/603794743.db2.gz CPQXDKRQTAHQMW-RNCFNFMXSA-N -1 0 318.301 -0.131 20 0 DBADRM CO[C@H](CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])C(F)(F)F ZINC000828836185 603796246 /nfs/dbraw/zinc/79/62/46/603796246.db2.gz MRLDADUDYUSEEA-RRKCRQDMSA-N -1 0 300.233 -0.207 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CC[C@@H](N(C)C(=O)[O-])C2)CC1 ZINC000823555497 603796910 /nfs/dbraw/zinc/79/69/10/603796910.db2.gz DMOCGUBDKGSJCF-GFCCVEGCSA-N -1 0 312.370 -0.639 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828552380 603797037 /nfs/dbraw/zinc/79/70/37/603797037.db2.gz PTCNZDFQFBGBMN-KGFZYKRKSA-N -1 0 305.262 -0.534 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000830993672 603799247 /nfs/dbraw/zinc/79/92/47/603799247.db2.gz LUMDRFQJUAOYCT-GHMZBOCLSA-N -1 0 311.342 -0.105 20 0 DBADRM CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])CC2 ZINC000827642495 603801514 /nfs/dbraw/zinc/80/15/14/603801514.db2.gz ITEXOLQNPBQOJE-KXUCPTDWSA-N -1 0 323.353 -0.615 20 0 DBADRM COC(=O)[C@@]1(F)CCN(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000828625082 603804516 /nfs/dbraw/zinc/80/45/16/603804516.db2.gz VRQYFPWIJRXLEG-GFCCVEGCSA-N -1 0 304.274 -0.521 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC000826115475 603810989 /nfs/dbraw/zinc/81/09/89/603810989.db2.gz GUUFJUVCMDXUME-HBNTYKKESA-N -1 0 315.370 -0.063 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)CC2CN(C(=O)[O-])C2)C1 ZINC000829686636 603813832 /nfs/dbraw/zinc/81/38/32/603813832.db2.gz DXKAUXXCODBILI-VIFPVBQESA-N -1 0 305.356 -0.864 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)N[C@H](CNC(=O)[O-])C2CC2)cn1 ZINC000830993862 603819144 /nfs/dbraw/zinc/81/91/44/603819144.db2.gz NPHGGJYBFYHXFV-MNOVXSKESA-N -1 0 311.342 -0.201 20 0 DBADRM CS(=O)(=O)CCCC(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000829670268 603821378 /nfs/dbraw/zinc/82/13/78/603821378.db2.gz ZJEFKBAEXGELEN-VIFPVBQESA-N -1 0 307.324 -0.324 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000829669936 603822599 /nfs/dbraw/zinc/82/25/99/603822599.db2.gz SCTARHXTHBZHNM-UHFFFAOYSA-N -1 0 320.367 -0.694 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[O-])CCO1 ZINC000828663547 603823342 /nfs/dbraw/zinc/82/33/42/603823342.db2.gz OHARRLUNIRVTGV-ZJUUUORDSA-N -1 0 300.311 -0.081 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000831273979 603824577 /nfs/dbraw/zinc/82/45/77/603824577.db2.gz UUBDASFWESSPDH-CSMHCCOUSA-N -1 0 312.244 -0.111 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NCCC(=O)N2CCOCC2)C1 ZINC000831903069 603828451 /nfs/dbraw/zinc/82/84/51/603828451.db2.gz SNCWDCUBGSCEJS-CYBMUJFWSA-N -1 0 317.317 -0.557 20 0 DBADRM C[C@]1(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC000825755063 603828935 /nfs/dbraw/zinc/82/89/35/603828935.db2.gz IIIZUWVPQSFUPH-WDEREUQCSA-N -1 0 308.331 -0.228 20 0 DBADRM CC[C@H](NC(=O)CC1CN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000826601902 603830596 /nfs/dbraw/zinc/83/05/96/603830596.db2.gz YXUVRLWYNKAGHR-NSHDSACASA-N -1 0 313.354 -0.260 20 0 DBADRM CC[C@H](NC(=O)[C@H]1CCCN1C(=O)[O-])C(=O)N1CCOCC1 ZINC000826591546 603830994 /nfs/dbraw/zinc/83/09/94/603830994.db2.gz BJQMDUGPOWFXRP-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCCOC[C@@H]1CCOC1 ZINC000831680062 603831043 /nfs/dbraw/zinc/83/10/43/603831043.db2.gz AVKCLZGHTUKUMW-SDDRHHMPSA-N -1 0 316.354 -0.341 20 0 DBADRM CCOC(=O)C1(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CCC1 ZINC000827289075 603831450 /nfs/dbraw/zinc/83/14/50/603831450.db2.gz BBECIPBGDFCMAF-UWVGGRQHSA-N -1 0 314.338 -0.051 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000827046666 603833027 /nfs/dbraw/zinc/83/30/27/603833027.db2.gz YOKSWRVLUARQIU-JTQLQIEISA-N -1 0 321.399 -0.180 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000829688515 603833292 /nfs/dbraw/zinc/83/32/92/603833292.db2.gz SJAAVJIMPRGUFW-SNVBAGLBSA-N -1 0 311.335 -0.866 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000831901274 603834195 /nfs/dbraw/zinc/83/41/95/603834195.db2.gz GGTNPRQSJRGZLS-GZMMTYOYSA-N -1 0 308.331 -0.371 20 0 DBADRM CC(C)(C)OC(=O)CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000823785756 603835314 /nfs/dbraw/zinc/83/53/14/603835314.db2.gz RGPRPYZDSNTKOI-BDAKNGLRSA-N -1 0 302.327 -0.052 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000827974614 603840090 /nfs/dbraw/zinc/84/00/90/603840090.db2.gz BPRZOXOJRIAXAS-CYBMUJFWSA-N -1 0 316.333 -0.096 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CCN(C(=O)[O-])[C@H](C)C2)n1C ZINC000830887260 603841236 /nfs/dbraw/zinc/84/12/36/603841236.db2.gz FHSHHIJGUKZHPI-SNVBAGLBSA-N -1 0 324.385 -0.234 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)cn1 ZINC000828547101 603852190 /nfs/dbraw/zinc/85/21/90/603852190.db2.gz KMIPKCKMCSYHQK-GFCCVEGCSA-N -1 0 313.289 -0.340 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)NCCN(C)C(=O)[O-])CCO1 ZINC000828663297 603853242 /nfs/dbraw/zinc/85/32/42/603853242.db2.gz KLQZPSMQOVMCHY-SECBINFHSA-N -1 0 303.315 -0.430 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000828664139 603855730 /nfs/dbraw/zinc/85/57/30/603855730.db2.gz WEERQXKNWQICLH-ZJUUUORDSA-N -1 0 315.326 -0.288 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)N1CCS(=O)(=O)CC1 ZINC000832467536 603858339 /nfs/dbraw/zinc/85/83/39/603858339.db2.gz PMNSHUCOVTZXCR-UWVGGRQHSA-N -1 0 319.383 -0.137 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000828682699 603861760 /nfs/dbraw/zinc/86/17/60/603861760.db2.gz BBSMFIWYWCDBBD-RKDXNWHRSA-N -1 0 316.310 -0.355 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000831238998 603864202 /nfs/dbraw/zinc/86/42/02/603864202.db2.gz CEHIWDLFKUKJJX-KCJUWKMLSA-N -1 0 323.346 -0.642 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1=O ZINC000825860431 603866419 /nfs/dbraw/zinc/86/64/19/603866419.db2.gz JMEKPILQYAMWTR-APLZJWDSSA-N -1 0 311.338 -0.775 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000828096001 603866597 /nfs/dbraw/zinc/86/65/97/603866597.db2.gz RNWWDNAEUFQZHX-AWEZNQCLSA-N -1 0 313.354 -0.306 20 0 DBADRM C[C@]1(C(=O)NC2CCN(CC(N)=O)CC2)CCN(C(=O)[O-])C1 ZINC000825656768 603869721 /nfs/dbraw/zinc/86/97/21/603869721.db2.gz KTLHHGHTAZZDLM-AWEZNQCLSA-N -1 0 312.370 -0.558 20 0 DBADRM C[C@]1(C(=O)NC[C@H]2CCS(=O)(=O)C2)CCN(C(=O)[O-])C1 ZINC000825663159 603873378 /nfs/dbraw/zinc/87/33/78/603873378.db2.gz LNAPRCVYKLWZQC-SKDRFNHKSA-N -1 0 304.368 -0.073 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000828639016 603880198 /nfs/dbraw/zinc/88/01/98/603880198.db2.gz DRPWLQNKHWIGFM-UFBFGSQYSA-N -1 0 304.274 -0.521 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000830979146 603882610 /nfs/dbraw/zinc/88/26/10/603882610.db2.gz SMTJQWOTQNLTHL-NSHDSACASA-N -1 0 317.346 -0.146 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@H]3COCCN3C(=O)[O-])CC2)cn1 ZINC000831009535 603884556 /nfs/dbraw/zinc/88/45/56/603884556.db2.gz XDBKNAZDBWXWOZ-GFCCVEGCSA-N -1 0 323.353 -0.553 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000827265995 603887838 /nfs/dbraw/zinc/88/78/38/603887838.db2.gz PLNQACOTWZGEJF-JTQLQIEISA-N -1 0 311.335 -0.866 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)N2CCCS(=O)(=O)CC2)C1 ZINC000831895901 603891060 /nfs/dbraw/zinc/89/10/60/603891060.db2.gz QGMYWYFMYNJFQG-LLVKDONJSA-N -1 0 308.331 -0.275 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000825014842 603891718 /nfs/dbraw/zinc/89/17/18/603891718.db2.gz AWOGZURIVHRBPY-KWQFWETISA-N -1 0 310.347 -0.030 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000831246359 603894899 /nfs/dbraw/zinc/89/48/99/603894899.db2.gz QAIRWPCDUIGMHH-KCJUWKMLSA-N -1 0 323.346 -0.642 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000823578771 603900108 /nfs/dbraw/zinc/90/01/08/603900108.db2.gz BFTTZYBFDRXSQO-GXFFZTMASA-N -1 0 317.317 -0.558 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000827248488 603901674 /nfs/dbraw/zinc/90/16/74/603901674.db2.gz BZUMULOJXICXKH-YUMQZZPRSA-N -1 0 317.298 -0.857 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCS1(=O)=O ZINC000825969899 603902522 /nfs/dbraw/zinc/90/25/22/603902522.db2.gz ROPQYTDBWAAEIT-LDYMZIIASA-N -1 0 308.331 -0.276 20 0 DBADRM CN1C(=O)N[C@@]2(CCN(C(=O)[C@@]3(C)CCN(C(=O)[O-])C3)C2)C1=O ZINC000828445110 603906272 /nfs/dbraw/zinc/90/62/72/603906272.db2.gz JZOYADAFNTYIQQ-UONOGXRCSA-N -1 0 324.337 -0.471 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000825509505 603910082 /nfs/dbraw/zinc/91/00/82/603910082.db2.gz QJFDPBTXJATBSK-DJLDLDEBSA-N -1 0 307.372 -0.523 20 0 DBADRM O=C([O-])N1CCN(CCCNS(=O)(=O)c2c[nH]cn2)CC1 ZINC000832031248 603911952 /nfs/dbraw/zinc/91/19/52/603911952.db2.gz JIDBOPGZEXGOFG-UHFFFAOYSA-N -1 0 317.371 -0.626 20 0 DBADRM Cn1c(=O)cc(CN2CCN(C(=O)[O-])CC2(C)C)n(C)c1=O ZINC000830973913 603917321 /nfs/dbraw/zinc/91/73/21/603917321.db2.gz CFRNYWREGJUIJU-UHFFFAOYSA-N -1 0 310.354 -0.342 20 0 DBADRM CN1CC[C@@H](OC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1=O ZINC000828472785 603918654 /nfs/dbraw/zinc/91/86/54/603918654.db2.gz QVIMMAYZDGCVEL-VHSXEESVSA-N -1 0 300.311 -0.081 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)cn1 ZINC000830995318 603920468 /nfs/dbraw/zinc/92/04/68/603920468.db2.gz YRRYSXYXYDNTDL-SKDRFNHKSA-N -1 0 300.290 -0.338 20 0 DBADRM C[C@H](COC(=O)[C@@H]1COCCN1C(=O)[O-])CS(C)(=O)=O ZINC000824987539 603925090 /nfs/dbraw/zinc/92/50/90/603925090.db2.gz NIHXLYUFCICHBZ-BDAKNGLRSA-N -1 0 309.340 -0.411 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@]2(C)CCN(C(=O)[O-])C2)CCO1 ZINC000828639272 603926570 /nfs/dbraw/zinc/92/65/70/603926570.db2.gz FORDPVYCUHTWSR-TVQRCGJNSA-N -1 0 300.311 -0.223 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000827267251 603936143 /nfs/dbraw/zinc/93/61/43/603936143.db2.gz ZTXHMBGSSMROBU-NSHDSACASA-N -1 0 307.372 -0.568 20 0 DBADRM Cc1nncn1CCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000830893217 603941984 /nfs/dbraw/zinc/94/19/84/603941984.db2.gz JVRQGEKHRGSPKL-UHFFFAOYSA-N -1 0 324.385 -0.223 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(C(=O)[O-])CC1(C)C ZINC000825510479 603944125 /nfs/dbraw/zinc/94/41/25/603944125.db2.gz ZPUHBNRGNRJNNE-MRVPVSSYSA-N -1 0 307.372 -0.475 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCN(C(=O)[O-])CC1(C)C ZINC000829017937 603945510 /nfs/dbraw/zinc/94/55/10/603945510.db2.gz ILPGXVRGSKDTLB-UHFFFAOYSA-N -1 0 322.383 -0.352 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@]2(C)CCN(C(=O)[O-])C2)n[nH]1 ZINC000828700313 603945973 /nfs/dbraw/zinc/94/59/73/603945973.db2.gz STMWBMGALSOMKK-GFCCVEGCSA-N -1 0 311.298 -0.151 20 0 DBADRM CC1(C)CN(C(=O)[O-])CCN1C(=O)CC[C@H]1NC(=O)NC1=O ZINC000825724498 603946050 /nfs/dbraw/zinc/94/60/50/603946050.db2.gz KECLQYRVYOTFAI-MRVPVSSYSA-N -1 0 312.326 -0.425 20 0 DBADRM COC(=O)C[C@H](C)N1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000828646712 603952289 /nfs/dbraw/zinc/95/22/89/603952289.db2.gz LDOJQSYTHSLSAV-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM CN1CCC[C@@H](NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1=O ZINC000828480178 603961753 /nfs/dbraw/zinc/96/17/53/603961753.db2.gz DNSPPXQJMYVHSN-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000823560898 603962771 /nfs/dbraw/zinc/96/27/71/603962771.db2.gz HDLOYWBFWGQNIE-SECBINFHSA-N -1 0 315.326 -0.734 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828684280 603968141 /nfs/dbraw/zinc/96/81/41/603968141.db2.gz SFZIFMUZUZCBLV-DTWKUNHWSA-N -1 0 316.310 -0.403 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)CCCNC(=O)[O-])CC2 ZINC000829049705 603969204 /nfs/dbraw/zinc/96/92/04/603969204.db2.gz JTINYJSZNZHMAP-SECBINFHSA-N -1 0 311.342 -0.097 20 0 DBADRM CCNC(=O)N1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000827250534 603971162 /nfs/dbraw/zinc/97/11/62/603971162.db2.gz SWECYOGIKNAJPR-ZDUSSCGKSA-N -1 0 316.333 -0.048 20 0 DBADRM C[C@@H](CC(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)NC(=O)[O-] ZINC000824727258 603982611 /nfs/dbraw/zinc/98/26/11/603982611.db2.gz FRHMSTZQJHHEPL-YUMQZZPRSA-N -1 0 303.315 -0.831 20 0 DBADRM C[C@H](CC(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)NC(=O)[O-] ZINC000824727257 603982668 /nfs/dbraw/zinc/98/26/68/603982668.db2.gz FRHMSTZQJHHEPL-SFYZADRCSA-N -1 0 303.315 -0.831 20 0 DBADRM NC(=O)[C@@H](Cc1ccccc1)NC(=O)COC1CN(C(=O)[O-])C1 ZINC000831167816 603988246 /nfs/dbraw/zinc/98/82/46/603988246.db2.gz QLKMNCNQGASFJT-GFCCVEGCSA-N -1 0 321.333 -0.422 20 0 DBADRM O=C(CNC(=O)COC1CN(C(=O)[O-])C1)NC1CCCCC1 ZINC000831530162 603989925 /nfs/dbraw/zinc/98/99/25/603989925.db2.gz VYNJQNVMHHJVIV-UHFFFAOYSA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCN(CC(F)F)CC2)C1 ZINC000831857635 603992360 /nfs/dbraw/zinc/99/23/60/603992360.db2.gz CZXAOLFGIPRVPD-UHFFFAOYSA-N -1 0 307.297 -0.226 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@@H]3CCN(C(=O)[O-])C3)CC2=O)cn1 ZINC000831008946 603997549 /nfs/dbraw/zinc/99/75/49/603997549.db2.gz GMHPDRWUNVWSFW-SNVBAGLBSA-N -1 0 321.337 -0.405 20 0 DBADRM COC(=O)[C@@H]1CCCN(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000828634193 603997522 /nfs/dbraw/zinc/99/75/22/603997522.db2.gz ZWKFLUTZYNGRDW-SECBINFHSA-N -1 0 300.311 -0.223 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)CC2 ZINC000830797702 603998380 /nfs/dbraw/zinc/99/83/80/603998380.db2.gz GCOIWVALWQOHTC-VIFPVBQESA-N -1 0 309.326 -0.604 20 0 DBADRM CCN(CCCNC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000827123346 603999165 /nfs/dbraw/zinc/99/91/65/603999165.db2.gz BNLGUOGBBMTZPR-UHFFFAOYSA-N -1 0 307.372 -0.184 20 0 DBADRM CC(=O)N1CCC(CNC(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000823549128 604000889 /nfs/dbraw/zinc/00/08/89/604000889.db2.gz BAHKJGJLHOTVEA-UHFFFAOYSA-N -1 0 313.354 -0.260 20 0 DBADRM CCC(CC)(CNC(=O)NCCS(N)(=O)=O)NC(=O)[O-] ZINC000826532855 604002447 /nfs/dbraw/zinc/00/24/47/604002447.db2.gz JZNHCULIQIAYHS-UHFFFAOYSA-N -1 0 310.376 -0.600 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCCCN1C(=O)CCC1=O ZINC000831533169 604002450 /nfs/dbraw/zinc/00/24/50/604002450.db2.gz DWJOEURRYSGKAO-UHFFFAOYSA-N -1 0 313.310 -0.980 20 0 DBADRM NS(=O)(=O)CCNC(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000831244746 604003384 /nfs/dbraw/zinc/00/33/84/604003384.db2.gz CLMDXBZSZCZADQ-IUCAKERBSA-N -1 0 322.387 -0.600 20 0 DBADRM NS(=O)(=O)CCNC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000831244829 604003456 /nfs/dbraw/zinc/00/34/56/604003456.db2.gz CLMDXBZSZCZADQ-RKDXNWHRSA-N -1 0 322.387 -0.600 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000831222558 604004174 /nfs/dbraw/zinc/00/41/74/604004174.db2.gz LEBPBXHLNYYITH-VIFPVBQESA-N -1 0 307.310 -0.268 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)c1csc(CNC(=O)[O-])n1 ZINC000831209019 604005065 /nfs/dbraw/zinc/00/50/65/604005065.db2.gz YPODXIMMZYBHFE-UHFFFAOYSA-N -1 0 315.311 -0.775 20 0 DBADRM COCCN1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000828990065 604007526 /nfs/dbraw/zinc/00/75/26/604007526.db2.gz DECNEGPNSVCXMP-UHFFFAOYSA-N -1 0 301.343 -0.844 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828971033 604007700 /nfs/dbraw/zinc/00/77/00/604007700.db2.gz MFIRVHRLJLEATL-ZDUSSCGKSA-N -1 0 319.333 -0.358 20 0 DBADRM C[C@@H](CCO)CNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000824810375 604007673 /nfs/dbraw/zinc/00/76/73/604007673.db2.gz PVFYSFRVEJVXHI-LBPRGKRZSA-N -1 0 316.402 -0.010 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000824751573 604007941 /nfs/dbraw/zinc/00/79/41/604007941.db2.gz KZLYWQLQUOSVBU-SNVBAGLBSA-N -1 0 315.374 -0.765 20 0 DBADRM C[C@H]([C@H](C)N(C)C(=O)COC1CN(C(=O)[O-])C1)S(C)(=O)=O ZINC000823738335 604008377 /nfs/dbraw/zinc/00/83/77/604008377.db2.gz WHENUJVQTKAXJV-DTWKUNHWSA-N -1 0 322.383 -0.355 20 0 DBADRM C[S@](=O)CCNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000829698698 604008819 /nfs/dbraw/zinc/00/88/19/604008819.db2.gz AVSVIFNZDTWDHI-NRFANRHFSA-N -1 0 320.415 -0.650 20 0 DBADRM Cn1ncc2c1nnn(CN1CCC[C@@H](NC(=O)[O-])C1)c2=O ZINC000831054832 604015823 /nfs/dbraw/zinc/01/58/23/604015823.db2.gz KTXFKLNIHPATIZ-MRVPVSSYSA-N -1 0 307.314 -0.786 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)COC1CN(C(=O)[O-])C1 ZINC000828267673 604016105 /nfs/dbraw/zinc/01/61/05/604016105.db2.gz XULPKKZPBNICBW-VIFPVBQESA-N -1 0 320.367 -0.742 20 0 DBADRM C[C@@H]1CN(Cn2nnc3c(cnn3C)c2=O)C[C@@H](C)N1C(=O)[O-] ZINC000826069686 604016491 /nfs/dbraw/zinc/01/64/91/604016491.db2.gz VYXFSLCYVQGNAC-RKDXNWHRSA-N -1 0 321.341 -0.445 20 0 DBADRM Cn1ncc2c1nnn(CN1CC[C@H](CNC(=O)[O-])C1)c2=O ZINC000831054794 604017102 /nfs/dbraw/zinc/01/71/02/604017102.db2.gz KFBUSZFJGVROEP-MRVPVSSYSA-N -1 0 307.314 -0.928 20 0 DBADRM COCCN(CC(=O)NCc1cc(C(N)=O)no1)C(=O)[O-] ZINC000828976672 604017207 /nfs/dbraw/zinc/01/72/07/604017207.db2.gz PQVXZIDQBQHISP-UHFFFAOYSA-N -1 0 300.271 -0.984 20 0 DBADRM CN(C[C@@H]1CCCN1Cn1nnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000828230315 604017221 /nfs/dbraw/zinc/01/72/21/604017221.db2.gz OCTIZMDPXNDGBQ-VIFPVBQESA-N -1 0 321.341 -0.443 20 0 DBADRM CN(C[C@H]1CCN(Cn2nnc3c(cnn3C)c2=O)C1)C(=O)[O-] ZINC000828260371 604017355 /nfs/dbraw/zinc/01/73/55/604017355.db2.gz SUSQZBMYMNXIRG-SECBINFHSA-N -1 0 321.341 -0.586 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000831852318 604019243 /nfs/dbraw/zinc/01/92/43/604019243.db2.gz NFNGICGNGZEYTJ-LLVKDONJSA-N -1 0 313.354 -0.702 20 0 DBADRM CS(=O)(=O)NCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000829686386 604027992 /nfs/dbraw/zinc/02/79/92/604027992.db2.gz AHZASXOHQQFJMX-ZJUUUORDSA-N -1 0 319.383 -0.331 20 0 DBADRM O=C([O-])NCc1nnnn1Cc1cc(=O)n2ccsc2n1 ZINC000832744378 604030928 /nfs/dbraw/zinc/03/09/28/604030928.db2.gz KFNDJJLUVKHKID-UHFFFAOYSA-N -1 0 307.295 -0.442 20 0 DBADRM O=C([O-])NCc1nnnn1CC(=O)NC(=O)Nc1ccccc1 ZINC000832738191 604031290 /nfs/dbraw/zinc/03/12/90/604031290.db2.gz HYRSQFXFVGTLOO-UHFFFAOYSA-N -1 0 319.281 -0.211 20 0 DBADRM COc1ccccc1CNC(=O)Cn1nnnc1CNC(=O)[O-] ZINC000829627674 604033093 /nfs/dbraw/zinc/03/30/93/604033093.db2.gz SNQRWVLIPMSIJI-UHFFFAOYSA-N -1 0 320.309 -0.234 20 0 DBADRM O=C([O-])NCc1nnnn1Cc1nnnn1-c1ccccc1 ZINC000832745440 604033361 /nfs/dbraw/zinc/03/33/61/604033361.db2.gz WNKJSEMYWROCRY-UHFFFAOYSA-N -1 0 301.270 -0.535 20 0 DBADRM O=C([O-])NCc1nnnn1Cc1cc(=O)n2ccccc2n1 ZINC000832745539 604033468 /nfs/dbraw/zinc/03/34/68/604033468.db2.gz XQMJMRQQCIVSLL-UHFFFAOYSA-N -1 0 301.266 -0.503 20 0 DBADRM COC1(C(=O)N[C@H]2CCCN(C)C2=O)CCN(C(=O)[O-])CC1 ZINC000828857045 604034489 /nfs/dbraw/zinc/03/44/89/604034489.db2.gz YQYDCRRRMUCDSD-JTQLQIEISA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000825170687 604054432 /nfs/dbraw/zinc/05/44/32/604054432.db2.gz CSXBKTIAQLBJFL-VHSXEESVSA-N -1 0 321.399 -0.780 20 0 DBADRM CN(C)CCN(C(=O)CN(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000828024935 604055060 /nfs/dbraw/zinc/05/50/60/604055060.db2.gz XMMJKFKAAFSZBV-SNVBAGLBSA-N -1 0 321.399 -0.827 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828684240 604056057 /nfs/dbraw/zinc/05/60/57/604056057.db2.gz ROPMQMXSWIYSPX-YIZRAAEISA-N -1 0 316.310 -0.356 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828552463 604056377 /nfs/dbraw/zinc/05/63/77/604056377.db2.gz RSRWXQVMXATUPX-XLPZGREQSA-N -1 0 301.299 -0.190 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)n1 ZINC000828077354 604060028 /nfs/dbraw/zinc/06/00/28/604060028.db2.gz NUBRLKIQJWHZKM-HTQZYQBOSA-N -1 0 324.341 -0.001 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)n1 ZINC000828077356 604060066 /nfs/dbraw/zinc/06/00/66/604060066.db2.gz NUBRLKIQJWHZKM-SFYZADRCSA-N -1 0 324.341 -0.001 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CCCSC1 ZINC000831485400 604063601 /nfs/dbraw/zinc/06/36/01/604063601.db2.gz QRPMPSDGNQUDSD-VIFPVBQESA-N -1 0 301.368 -0.180 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000824833707 604073735 /nfs/dbraw/zinc/07/37/35/604073735.db2.gz PNZXEBQFZKTIFQ-SECBINFHSA-N -1 0 321.399 -0.228 20 0 DBADRM CC(C)[C@@H](CCO)NC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000824105279 604074377 /nfs/dbraw/zinc/07/43/77/604074377.db2.gz RIQLWFUSCLXJCH-GFCCVEGCSA-N -1 0 316.402 -0.012 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCC(=O)NC(N)=O ZINC000826109316 604080245 /nfs/dbraw/zinc/08/02/45/604080245.db2.gz JTWWBLFBIUSQMV-XPUUQOCRSA-N -1 0 316.314 -0.809 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000827518562 604080297 /nfs/dbraw/zinc/08/02/97/604080297.db2.gz MEAXCRULOOQQGD-ZETCQYMHSA-N -1 0 314.371 -0.185 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)[C@@H]2CCCN2C(=O)[O-])n1 ZINC000828547779 604083886 /nfs/dbraw/zinc/08/38/86/604083886.db2.gz WOQRKBISCCWJCN-ZETCQYMHSA-N -1 0 312.282 -0.456 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)[C@@H](C)CN(C)C(=O)[O-])n1 ZINC000828547408 604083910 /nfs/dbraw/zinc/08/39/10/604083910.db2.gz QFNJKFIRMHWINJ-ZETCQYMHSA-N -1 0 314.298 -0.353 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)[C@H](C)CN(C)C(=O)[O-])CC1 ZINC000823560808 604094708 /nfs/dbraw/zinc/09/47/08/604094708.db2.gz GDOOKXDWFWQADN-LLVKDONJSA-N -1 0 314.386 -0.487 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)OC(=O)CC1CN(C(=O)[O-])C1 ZINC000827250137 604097648 /nfs/dbraw/zinc/09/76/48/604097648.db2.gz PSYJPTIMRLFBAN-SSDOTTSWSA-N -1 0 301.299 -0.236 20 0 DBADRM O=C([O-])NCCc1ccc(CNC(=O)NC(CO)CO)cc1 ZINC000832671585 604102907 /nfs/dbraw/zinc/10/29/07/604102907.db2.gz DXKORCYEROGBER-UHFFFAOYSA-N -1 0 311.338 -0.351 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000827480139 604105569 /nfs/dbraw/zinc/10/55/69/604105569.db2.gz GNOYUWVFUMFBBL-NSHDSACASA-N -1 0 308.356 -0.141 20 0 DBADRM Cn1ccnc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])c1=O ZINC000831030926 604107502 /nfs/dbraw/zinc/10/75/02/604107502.db2.gz IPCYYXWKWQWVKH-VIFPVBQESA-N -1 0 310.310 -0.122 20 0 DBADRM Cn1ccnc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])c1=O ZINC000831030925 604107543 /nfs/dbraw/zinc/10/75/43/604107543.db2.gz IPCYYXWKWQWVKH-SECBINFHSA-N -1 0 310.310 -0.122 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000828675211 604107993 /nfs/dbraw/zinc/10/79/93/604107993.db2.gz LUAZMPIGFXGWNZ-CYBMUJFWSA-N -1 0 316.310 -0.401 20 0 DBADRM C[C@@H](CCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)NC(=O)[O-] ZINC000824787421 604109749 /nfs/dbraw/zinc/10/97/49/604109749.db2.gz XIYWFLDTDNWZFI-IUCAKERBSA-N -1 0 309.326 -0.075 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000831590953 604113084 /nfs/dbraw/zinc/11/30/84/604113084.db2.gz HFKRWPUBWJPERN-DTWKUNHWSA-N -1 0 307.310 -0.369 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000824847502 604120605 /nfs/dbraw/zinc/12/06/05/604120605.db2.gz IHXGUVBOUPGHDT-ZJUUUORDSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@H]1CN(C(=O)N[C@H]2CCc3ncnn3C2)CCN1C(=O)[O-] ZINC000825996711 604146804 /nfs/dbraw/zinc/14/68/04/604146804.db2.gz PVYLLUXNDYXNEK-UWVGGRQHSA-N -1 0 308.342 -0.013 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCc3ncnn3C2)CCN1C(=O)[O-] ZINC000825996713 604146871 /nfs/dbraw/zinc/14/68/71/604146871.db2.gz PVYLLUXNDYXNEK-ZJUUUORDSA-N -1 0 308.342 -0.013 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CCc1nnc[nH]1 ZINC000828311840 604151919 /nfs/dbraw/zinc/15/19/19/604151919.db2.gz AYFICGLXRBVZTK-UHFFFAOYSA-N -1 0 310.358 -0.509 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000824854087 604161707 /nfs/dbraw/zinc/16/17/07/604161707.db2.gz GVKZPTQNCWJXQX-QMMMGPOBSA-N -1 0 309.388 -0.324 20 0 DBADRM O=C([O-])N(CCCNC(=O)N1CCO[C@H](CO)C1)C1CC1 ZINC000831671839 604163502 /nfs/dbraw/zinc/16/35/02/604163502.db2.gz KVWNXQVLBUPLMG-NSHDSACASA-N -1 0 301.343 -0.078 20 0 DBADRM Cn1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])n1 ZINC000831022901 604166656 /nfs/dbraw/zinc/16/66/56/604166656.db2.gz RVGHKUCHNLCAOP-DTWKUNHWSA-N -1 0 309.326 -0.089 20 0 DBADRM COC[C@H](C)CC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000828898377 604174939 /nfs/dbraw/zinc/17/49/39/604174939.db2.gz YLMKHZBCYPTNHS-SNVBAGLBSA-N -1 0 301.343 -0.403 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000824847533 604179673 /nfs/dbraw/zinc/17/96/73/604179673.db2.gz IVELGUQWNHHVMJ-MWLCHTKSSA-N -1 0 323.353 -0.113 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC000825508626 604180446 /nfs/dbraw/zinc/18/04/46/604180446.db2.gz IRTUITHRUTUYAR-KXUCPTDWSA-N -1 0 321.399 -0.181 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000824834420 604181464 /nfs/dbraw/zinc/18/14/64/604181464.db2.gz XEKCMAIXXXFZCN-BDAKNGLRSA-N -1 0 307.372 -0.488 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)CC2(NC(=O)[O-])CCC2)n1 ZINC000827965625 604192742 /nfs/dbraw/zinc/19/27/42/604192742.db2.gz DHPINMXLPHVKGQ-UHFFFAOYSA-N -1 0 324.341 -0.115 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CCC[C@H]2CNC(=O)[O-])cn1 ZINC000830813767 604194902 /nfs/dbraw/zinc/19/49/02/604194902.db2.gz UYFZJEMQVOAYAN-JTQLQIEISA-N -1 0 307.310 -0.018 20 0 DBADRM CCc1[nH]n(C)c2nnc(NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])c1-2 ZINC000827641594 604201046 /nfs/dbraw/zinc/20/10/46/604201046.db2.gz AJFICNUOWMDYBQ-SVRRBLITSA-N -1 0 322.325 -0.090 20 0 DBADRM CN(C)c1nc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cs1 ZINC000828077643 604209026 /nfs/dbraw/zinc/20/90/26/604209026.db2.gz QXDRYNYJDRWYLH-DTWKUNHWSA-N -1 0 314.367 -0.062 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000825178374 604212615 /nfs/dbraw/zinc/21/26/15/604212615.db2.gz RRHOOGMWACXDLN-UVPNAGLESA-N -1 0 312.326 -0.521 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000823978208 604214552 /nfs/dbraw/zinc/21/45/52/604214552.db2.gz BCFDMBFDQPLWHL-MRVPVSSYSA-N -1 0 309.326 -0.075 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000825253844 604217074 /nfs/dbraw/zinc/21/70/74/604217074.db2.gz KTZKKTLXANTEEK-IUCAKERBSA-N -1 0 324.337 -0.006 20 0 DBADRM O=C([O-])NCCC(=O)O[C@H]1CCN(C2CCOCC2)C1=O ZINC000832605023 604227183 /nfs/dbraw/zinc/22/71/83/604227183.db2.gz HCXIFIVPGONTNJ-JTQLQIEISA-N -1 0 300.311 -0.033 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000828670136 604229021 /nfs/dbraw/zinc/22/90/21/604229021.db2.gz BXZVGQIEVQEBRP-MRVPVSSYSA-N -1 0 311.360 -0.686 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000826108838 604230962 /nfs/dbraw/zinc/23/09/62/604230962.db2.gz HLMMLQDISWETIA-IMSYWVGJSA-N -1 0 302.327 -0.556 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCC(NC(=O)[O-])CC1 ZINC000828600548 604243701 /nfs/dbraw/zinc/24/37/01/604243701.db2.gz JXTKWDUHGQYULM-QMMMGPOBSA-N -1 0 308.356 -0.143 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)OCc1cc(=O)n(C)c(=O)n1C ZINC000824895777 604249472 /nfs/dbraw/zinc/24/94/72/604249472.db2.gz FEFQIULOPRHKDY-QMMMGPOBSA-N -1 0 313.310 -0.627 20 0 DBADRM CS(=O)(=O)NCCOC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000829686901 604252782 /nfs/dbraw/zinc/25/27/82/604252782.db2.gz GSFNGXLVKUJZBA-UHFFFAOYSA-N -1 0 306.296 -0.247 20 0 DBADRM COC(=O)[C@@]1(F)CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828623457 604264927 /nfs/dbraw/zinc/26/49/27/604264927.db2.gz CVCQIQYINWAWPC-TVQRCGJNSA-N -1 0 318.301 -0.131 20 0 DBADRM CC(C)(C)N1C[C@H](NC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1=O ZINC000823773727 604265108 /nfs/dbraw/zinc/26/51/08/604265108.db2.gz VIHYFOWYBUHQKX-NXEZZACHSA-N -1 0 313.354 -0.119 20 0 DBADRM COCCOC1CN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828996650 604266296 /nfs/dbraw/zinc/26/62/96/604266296.db2.gz UTNDCVQXNYULMM-SNVBAGLBSA-N -1 0 302.327 -0.371 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828639002 604267356 /nfs/dbraw/zinc/26/73/56/604267356.db2.gz DOTJSEPCUQTXNZ-UWVGGRQHSA-N -1 0 316.310 -0.844 20 0 DBADRM CN(CCNC(=O)NCCS(=O)(=O)CC1CC1)C(=O)[O-] ZINC000828323882 604267450 /nfs/dbraw/zinc/26/74/50/604267450.db2.gz HDBBULLPWFXKTG-UHFFFAOYSA-N -1 0 307.372 -0.280 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C2 ZINC000830800285 604271694 /nfs/dbraw/zinc/27/16/94/604271694.db2.gz WVGCRYWZSVDRJJ-SNVBAGLBSA-N -1 0 309.326 -0.302 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000831699481 604273195 /nfs/dbraw/zinc/27/31/95/604273195.db2.gz KAJOJQMQJHFJGS-SNVBAGLBSA-N -1 0 319.383 -0.137 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)nn1 ZINC000825528090 604274748 /nfs/dbraw/zinc/27/47/48/604274748.db2.gz JGZJLZKDFOQVGA-UWVGGRQHSA-N -1 0 311.342 -0.162 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)NC[C@H](O)C(F)(F)F)C1 ZINC000831380010 604275633 /nfs/dbraw/zinc/27/56/33/604275633.db2.gz BHQANMUSNGZMSU-BQBZGAKWSA-N -1 0 300.233 -0.205 20 0 DBADRM C[C@H](O)c1cn(CC(=O)NC[C@@H]2CCCCN2C(=O)[O-])nn1 ZINC000825527505 604277532 /nfs/dbraw/zinc/27/75/32/604277532.db2.gz DUBRBWVMBUZJBE-UWVGGRQHSA-N -1 0 311.342 -0.020 20 0 DBADRM CC(C)S(=O)(=O)CCCOC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000824430893 604283047 /nfs/dbraw/zinc/28/30/47/604283047.db2.gz CEMCPAQLOSJAMK-NXEZZACHSA-N -1 0 323.367 -0.144 20 0 DBADRM Cn1ccnc1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000831036123 604288114 /nfs/dbraw/zinc/28/81/14/604288114.db2.gz GQXIVRMLKNKSCG-UHFFFAOYSA-N -1 0 307.310 -0.016 20 0 DBADRM Cc1cc(=O)[nH]cc1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000829893664 604301007 /nfs/dbraw/zinc/30/10/07/604301007.db2.gz JDNIZKZMXWRJMS-UHFFFAOYSA-N -1 0 322.321 -0.352 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)NC[C@H]1CCCS1(=O)=O ZINC000828298735 604302934 /nfs/dbraw/zinc/30/29/34/604302934.db2.gz WKKLNHPTGXRNGS-SECBINFHSA-N -1 0 307.372 -0.137 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NC[C@@H](O)COc2ccccc2)C1 ZINC000831622539 604304064 /nfs/dbraw/zinc/30/40/64/604304064.db2.gz WPIBXXKQGOKXBI-DGCLKSJQSA-N -1 0 324.333 -0.079 20 0 DBADRM COc1cc2c(nn1)CCN(C(=O)COC1CN(C(=O)[O-])C1)C2 ZINC000829225001 604310397 /nfs/dbraw/zinc/31/03/97/604310397.db2.gz NHSLLLHESRUGDT-UHFFFAOYSA-N -1 0 322.321 -0.251 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CCCS2(=O)=O)C[C@@H]1C(=O)[O-] ZINC000219792589 604316736 /nfs/dbraw/zinc/31/67/36/604316736.db2.gz OXFPTUNQESJPIZ-BBBLOLIVSA-N -1 0 304.368 -0.074 20 0 DBADRM NC(=O)NC(=O)C1CCC(NC(=O)CCNC(=O)[O-])CC1 ZINC000831199648 604344758 /nfs/dbraw/zinc/34/47/58/604344758.db2.gz GBANWKBGDZTDTI-UHFFFAOYSA-N -1 0 300.315 -0.486 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCS[C@@H]3COCC[C@H]32)nn1 ZINC000833337329 604348740 /nfs/dbraw/zinc/34/87/40/604348740.db2.gz BKWOJRCLYOEHLF-NXEZZACHSA-N -1 0 312.351 -0.291 20 0 DBADRM COCc1nn(CN2CCC[C@@H](CNC(=O)[O-])C2)c(=O)o1 ZINC000829054606 604349033 /nfs/dbraw/zinc/34/90/33/604349033.db2.gz FLXUWHRQZOPIMJ-VIFPVBQESA-N -1 0 300.315 -0.080 20 0 DBADRM COCc1nn(CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)c(=O)o1 ZINC000829055898 604350964 /nfs/dbraw/zinc/35/09/64/604350964.db2.gz QQBUZTSLAJDRKA-BDAKNGLRSA-N -1 0 300.315 -0.082 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)NC2CCN(C(=O)[O-])CC2)O1 ZINC000831174237 604351468 /nfs/dbraw/zinc/35/14/68/604351468.db2.gz RECIICZISOREFO-ZJUUUORDSA-N -1 0 314.342 -0.539 20 0 DBADRM O=C([O-])c1cc(F)ccc1CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000833357728 604352284 /nfs/dbraw/zinc/35/22/84/604352284.db2.gz HIBHNWNZGZDEJR-NSHDSACASA-N -1 0 321.308 -0.334 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000167244140 604352468 /nfs/dbraw/zinc/35/24/68/604352468.db2.gz YWTRDRYCZCCELX-CMPLNLGQSA-N -1 0 300.355 -0.609 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)N2CCN(C(=O)[O-])CC2)O1 ZINC000831174168 604356241 /nfs/dbraw/zinc/35/62/41/604356241.db2.gz RAUQDMZPQGRYJY-RKDXNWHRSA-N -1 0 300.315 -0.976 20 0 DBADRM Cc1cc(N2CCN(CCNC(=O)[O-])CC2)n2ncnc2n1 ZINC000830086125 604362954 /nfs/dbraw/zinc/36/29/54/604362954.db2.gz YMKOPTYJVAFCDP-UHFFFAOYSA-N -1 0 305.342 -0.178 20 0 DBADRM CC(C)OCCS(=O)(=O)N1CCN(CCNC(=O)[O-])CC1 ZINC000824405077 604369217 /nfs/dbraw/zinc/36/92/17/604369217.db2.gz SKTJTYYIIZLGGN-UHFFFAOYSA-N -1 0 323.415 -0.374 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(CNC(=O)[O-])o2)O1 ZINC000831171533 604379793 /nfs/dbraw/zinc/37/97/93/604379793.db2.gz DWZHVSCXKBVYKS-VXNVDRBHSA-N -1 0 311.294 -0.190 20 0 DBADRM CS(=O)(=O)CCCCOC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000829669677 604380130 /nfs/dbraw/zinc/38/01/30/604380130.db2.gz PPTVOEQAEMTOIW-IUCAKERBSA-N -1 0 309.340 -0.532 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000830123446 604379977 /nfs/dbraw/zinc/37/99/77/604379977.db2.gz VXVQJDDUTRDEFB-NSHDSACASA-N -1 0 324.289 -0.273 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)OCc1cc(=O)n(C)c(=O)n1C ZINC000736381803 604383222 /nfs/dbraw/zinc/38/32/22/604383222.db2.gz YHCGAPWAWYQZLD-JTQLQIEISA-N -1 0 313.310 -0.581 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)OCC(=O)NC(=O)NC1CC1 ZINC000736382449 604383504 /nfs/dbraw/zinc/38/35/04/604383504.db2.gz PJMXRCHNDZNDMG-VIFPVBQESA-N -1 0 301.299 -0.190 20 0 DBADRM CC(C)N(CCC(=O)NC[C@H]1CC[C@H](C(N)=O)O1)C(=O)[O-] ZINC000824336835 604393384 /nfs/dbraw/zinc/39/33/84/604393384.db2.gz ZYKAWCHAYDBOQR-NXEZZACHSA-N -1 0 301.343 -0.086 20 0 DBADRM CN(CC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-])C(=O)C1CC1 ZINC000828501960 604395079 /nfs/dbraw/zinc/39/50/79/604395079.db2.gz ZJNVLAITYGQQAP-NSHDSACASA-N -1 0 312.370 -0.735 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)[C@@H](CNC(=O)[O-])C1 ZINC000828488203 604397193 /nfs/dbraw/zinc/39/71/93/604397193.db2.gz LOGGDYNKSGAFOF-PWSUYJOCSA-N -1 0 324.381 -0.593 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000825014955 604398682 /nfs/dbraw/zinc/39/86/82/604398682.db2.gz BVQTYHUSRWTZBV-UWVGGRQHSA-N -1 0 321.399 -0.923 20 0 DBADRM CCOCCOCC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000827405217 604402408 /nfs/dbraw/zinc/40/24/08/604402408.db2.gz MBULVIGZINEDNW-LLVKDONJSA-N -1 0 303.359 -0.550 20 0 DBADRM Cn1cc(C(=O)C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])cn1 ZINC000828487161 604402445 /nfs/dbraw/zinc/40/24/45/604402445.db2.gz HZUDJUWGQMATQS-SNVBAGLBSA-N -1 0 309.326 -0.987 20 0 DBADRM COc1ncc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])cn1 ZINC000829660559 604402467 /nfs/dbraw/zinc/40/24/67/604402467.db2.gz NLLGXIFDNSGPDW-JTQLQIEISA-N -1 0 309.326 -0.491 20 0 DBADRM CN1CCN(C(=O)[C@H](O)C2CCOCC2)[C@@H](CNC(=O)[O-])C1 ZINC000828489628 604402580 /nfs/dbraw/zinc/40/25/80/604402580.db2.gz UOXRTYFRDRHBEJ-NWDGAFQWSA-N -1 0 315.370 -0.816 20 0 DBADRM CN1CCN(C(=O)c2cn3cccnc3n2)[C@H](CNC(=O)[O-])C1 ZINC000828513636 604403085 /nfs/dbraw/zinc/40/30/85/604403085.db2.gz NTNCFDBCNOHFIC-SNVBAGLBSA-N -1 0 318.337 -0.247 20 0 DBADRM CCOC(=O)NCCC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000827326943 604403813 /nfs/dbraw/zinc/40/38/13/604403813.db2.gz HNZCCOKPPXZWIQ-JTQLQIEISA-N -1 0 316.358 -0.467 20 0 DBADRM CN1CCN(C(=O)c2cc(C(N)=O)c[nH]2)[C@H](CNC(=O)[O-])C1 ZINC000828507664 604407619 /nfs/dbraw/zinc/40/76/19/604407619.db2.gz RZQKDJGDXBBALU-SECBINFHSA-N -1 0 309.326 -0.863 20 0 DBADRM CC(C)OC(=O)[C@H](C)N(C)C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000824387941 604408195 /nfs/dbraw/zinc/40/81/95/604408195.db2.gz HXCBKSKIOHVDAK-LPEHRKFASA-N -1 0 302.327 -0.102 20 0 DBADRM CN1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)[C@H](CNC(=O)[O-])C1 ZINC000828493718 604410330 /nfs/dbraw/zinc/41/03/30/604410330.db2.gz CDBBJBXJSNPDPE-WDEREUQCSA-N -1 0 312.370 -0.735 20 0 DBADRM CN1CCN(C(=O)/C=C/c2cnccn2)[C@@H](CNC(=O)[O-])C1 ZINC000828493792 604410699 /nfs/dbraw/zinc/41/06/99/604410699.db2.gz CUFQBDQNWNWUHI-JDGPPOGSSA-N -1 0 305.338 -0.100 20 0 DBADRM CCn1nc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])ccc1=O ZINC000827711093 604411819 /nfs/dbraw/zinc/41/18/19/604411819.db2.gz KCEDVMNSGMWNEN-JTQLQIEISA-N -1 0 323.353 -0.713 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)c(=O)n(C)c1 ZINC000832891984 604413860 /nfs/dbraw/zinc/41/38/60/604413860.db2.gz PKVMRSVIZRLNGE-JTQLQIEISA-N -1 0 321.333 -0.045 20 0 DBADRM O=C([O-])N1CC(NS(=O)(=O)c2cccc3c2COC3=O)C1 ZINC000833357938 604414470 /nfs/dbraw/zinc/41/44/70/604414470.db2.gz KUVOGVTVPUPDKA-UHFFFAOYSA-N -1 0 312.303 -0.003 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c(=O)n(C)c1 ZINC000832892030 604415226 /nfs/dbraw/zinc/41/52/26/604415226.db2.gz SWTOVLHCELZTBH-HNNXBMFYSA-N -1 0 321.333 -0.045 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000824961093 604416611 /nfs/dbraw/zinc/41/66/11/604416611.db2.gz YBGMAHXVOPFNET-VGMNWLOBSA-N -1 0 302.331 -0.683 20 0 DBADRM C[C@@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)[C@H]1CN(C)CCO1 ZINC000827741248 604417863 /nfs/dbraw/zinc/41/78/63/604417863.db2.gz JLNFFFIGARUFQF-GHMZBOCLSA-N -1 0 320.411 -0.120 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCn2ccnc2)CCO1 ZINC000825319527 604419584 /nfs/dbraw/zinc/41/95/84/604419584.db2.gz XNFHMFFNJIIABC-MNOVXSKESA-N -1 0 311.342 -0.050 20 0 DBADRM O=C([O-])NC1(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000832151104 604420845 /nfs/dbraw/zinc/42/08/45/604420845.db2.gz FISDJWLZZGJOOI-SNVBAGLBSA-N -1 0 311.338 -0.364 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000829683920 604426389 /nfs/dbraw/zinc/42/63/89/604426389.db2.gz YUSPFDKINZWDST-UHFFFAOYSA-N -1 0 305.356 -0.720 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CN1CCCS1(=O)=O ZINC000827000917 604431243 /nfs/dbraw/zinc/43/12/43/604431243.db2.gz JYFUDFJPNRXSET-SNVBAGLBSA-N -1 0 322.383 -0.642 20 0 DBADRM COCc1nn(CN2CCO[C@H]([C@H](C)NC(=O)[O-])C2)c(=O)o1 ZINC000829056152 604438279 /nfs/dbraw/zinc/43/82/79/604438279.db2.gz UGMAOPWGXWWTSZ-IUCAKERBSA-N -1 0 316.314 -0.703 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CN1CCCNC1=O ZINC000827001638 604441497 /nfs/dbraw/zinc/44/14/97/604441497.db2.gz QYULBEZAJCCTCC-JTQLQIEISA-N -1 0 301.343 -0.262 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000831705494 604442490 /nfs/dbraw/zinc/44/24/90/604442490.db2.gz NXGWWYMQDCFTQU-UWVGGRQHSA-N -1 0 322.383 -0.879 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000833447569 604460070 /nfs/dbraw/zinc/46/00/70/604460070.db2.gz VHLVUZRIJBVAOR-MRVPVSSYSA-N -1 0 320.367 -0.999 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)OC)nc1C ZINC000833682310 604461583 /nfs/dbraw/zinc/46/15/83/604461583.db2.gz OYHSEGCWCGUGPX-MRVPVSSYSA-N -1 0 319.339 -0.494 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)[C@H]1CCNC(=O)C1 ZINC000828312054 604462061 /nfs/dbraw/zinc/46/20/61/604462061.db2.gz GGRYZPPPOFYUEE-NSHDSACASA-N -1 0 312.370 -0.733 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)[C@@H]1CCNC(=O)C1 ZINC000828312053 604462124 /nfs/dbraw/zinc/46/21/24/604462124.db2.gz GGRYZPPPOFYUEE-LLVKDONJSA-N -1 0 312.370 -0.733 20 0 DBADRM C#CCN1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000037838436 604464084 /nfs/dbraw/zinc/46/40/84/604464084.db2.gz VBHXYMVLPNXMSU-UHFFFAOYSA-N -1 0 315.395 -0.721 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000740028009 604468251 /nfs/dbraw/zinc/46/82/51/604468251.db2.gz ALBBKFZANARGJG-MRVPVSSYSA-N -1 0 310.310 -0.003 20 0 DBADRM CC(C)C(=O)NCCN(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000833466570 604469201 /nfs/dbraw/zinc/46/92/01/604469201.db2.gz CATLGQUZOYEAES-UHFFFAOYSA-N -1 0 309.388 -0.658 20 0 DBADRM Cn1cc(N2CCC[C@@H](NC(=O)C3(NC(=O)[O-])CC3)C2=O)cn1 ZINC000831004295 604471790 /nfs/dbraw/zinc/47/17/90/604471790.db2.gz GUGHTZRYSLZKCC-SNVBAGLBSA-N -1 0 321.337 -0.168 20 0 DBADRM Cn1ccc(N2CCC[C@H](NC(=O)C3(NC(=O)[O-])CC3)C2=O)n1 ZINC000831022277 604476133 /nfs/dbraw/zinc/47/61/33/604476133.db2.gz DLRLPBTXPGBSOX-VIFPVBQESA-N -1 0 321.337 -0.168 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000833447265 604476313 /nfs/dbraw/zinc/47/63/13/604476313.db2.gz OYBMLPWKJVPUNC-UHFFFAOYSA-N -1 0 304.328 -0.416 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(Cc2ccncc2)CC1 ZINC000833404119 604476345 /nfs/dbraw/zinc/47/63/45/604476345.db2.gz GRJYSNDUYTYYJA-GFCCVEGCSA-N -1 0 306.366 -0.212 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C2(NC(=O)[O-])CC2)C(=O)N1c1cnn(C)c1 ZINC000825788469 604476528 /nfs/dbraw/zinc/47/65/28/604476528.db2.gz HNBJMAKBBLVTLE-WPRPVWTQSA-N -1 0 321.337 -0.170 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)C1 ZINC000740586133 604477582 /nfs/dbraw/zinc/47/75/82/604477582.db2.gz NAFDKPPMQZUYCH-SSDOTTSWSA-N -1 0 321.297 -0.344 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000738703276 604484630 /nfs/dbraw/zinc/48/46/30/604484630.db2.gz GKFPMDBLDBLQOM-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM CCOC(=O)C1(O)CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000827292652 604487822 /nfs/dbraw/zinc/48/78/22/604487822.db2.gz TWZZEXMGTNZTTD-UHFFFAOYSA-N -1 0 300.311 -0.297 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)NCCC(=O)N1CCOCC1 ZINC000317632162 604488995 /nfs/dbraw/zinc/48/89/95/604488995.db2.gz YGNMFPROTXMUJQ-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739989954 604489970 /nfs/dbraw/zinc/48/99/70/604489970.db2.gz DWOFPJDNLALHFO-RKDXNWHRSA-N -1 0 305.356 -0.721 20 0 DBADRM COCCCS(=O)(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828956912 604491293 /nfs/dbraw/zinc/49/12/93/604491293.db2.gz BYGSDYNBMLDQDY-NXEZZACHSA-N -1 0 310.372 -0.290 20 0 DBADRM COCCCS(=O)(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828956915 604491519 /nfs/dbraw/zinc/49/15/19/604491519.db2.gz BYGSDYNBMLDQDY-ZJUUUORDSA-N -1 0 310.372 -0.290 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000738854712 604492191 /nfs/dbraw/zinc/49/21/91/604492191.db2.gz GHOJCKBLLYOOFR-SNVBAGLBSA-N -1 0 300.359 -0.689 20 0 DBADRM C[C@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)C(=O)NCC(=O)[O-] ZINC000833534688 604492925 /nfs/dbraw/zinc/49/29/25/604492925.db2.gz HHMDKMUDWNDESC-LURJTMIESA-N -1 0 308.250 -0.819 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)N2CCCC2)CCO1 ZINC000825358295 604493425 /nfs/dbraw/zinc/49/34/25/604493425.db2.gz FNUAWYUXAOFBGB-ZJUUUORDSA-N -1 0 307.372 -0.316 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)c2c[nH]cn2)CCO1 ZINC000825358270 604493483 /nfs/dbraw/zinc/49/34/83/604493483.db2.gz FMCXJVUFJZJRHL-JGVFFNPUSA-N -1 0 304.328 -0.545 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000829978968 604497147 /nfs/dbraw/zinc/49/71/47/604497147.db2.gz UPTMMFFLTMNPTH-RKDXNWHRSA-N -1 0 311.356 -0.453 20 0 DBADRM CNC(=O)[C@@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)C(C)C ZINC000830979326 604506893 /nfs/dbraw/zinc/50/68/93/604506893.db2.gz UHFVXHHDKGXGBP-JTQLQIEISA-N -1 0 306.384 -0.069 20 0 DBADRM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)CCCC(=O)[O-])C1 ZINC000833389317 604509407 /nfs/dbraw/zinc/50/94/07/604509407.db2.gz BLXCSFVOCLYRNH-LLVKDONJSA-N -1 0 306.384 -0.019 20 0 DBADRM Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000826246264 607700416 /nfs/dbraw/zinc/70/04/16/607700416.db2.gz YLWZLORVDKPYHQ-PHIMTYICSA-N -1 0 303.322 -0.257 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)NC[C@@H]2COCCO2)c1 ZINC000833139794 604521621 /nfs/dbraw/zinc/52/16/21/604521621.db2.gz NFQALNSWLVZKKE-MRVPVSSYSA-N -1 0 314.319 -0.084 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)NC[C@H]2COCCO2)c1 ZINC000833139795 604522045 /nfs/dbraw/zinc/52/20/45/604522045.db2.gz NFQALNSWLVZKKE-QMMMGPOBSA-N -1 0 314.319 -0.084 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCC(=O)N(C)C)CCO1 ZINC000825309751 604529926 /nfs/dbraw/zinc/52/99/26/604529926.db2.gz LNZUAJRWYVEMSM-DTWKUNHWSA-N -1 0 302.331 -0.859 20 0 DBADRM CCCNC(=O)CNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826925269 604530648 /nfs/dbraw/zinc/53/06/48/604530648.db2.gz CVRUYHABJDYZQA-ZJUUUORDSA-N -1 0 316.358 -0.421 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@H]2CCCS2(=O)=O)CCO1 ZINC000134195050 604537658 /nfs/dbraw/zinc/53/76/58/604537658.db2.gz SRTVNOGGNOOOTB-RKDXNWHRSA-N -1 0 306.340 -0.941 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1)C(=O)N(C)C ZINC000825149248 604538474 /nfs/dbraw/zinc/53/84/74/604538474.db2.gz FINLJHTZLXMRGS-GUBZILKMSA-N -1 0 316.358 -0.470 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)N2CC[C@@H](NC(=O)[O-])C2)n1 ZINC000739601105 604546690 /nfs/dbraw/zinc/54/66/90/604546690.db2.gz XQBDCVKMQMJQTR-SECBINFHSA-N -1 0 324.341 -0.155 20 0 DBADRM C[C@@H]1CN(c2ncnc(N3C[C@H](O)[C@@H](C)C3)c2C(=O)[O-])C[C@@H]1O ZINC000833633563 604546724 /nfs/dbraw/zinc/54/67/24/604546724.db2.gz BNCUMMDMVJCZLI-VLEAKVRGSA-N -1 0 322.365 -0.191 20 0 DBADRM C[C@H](CCNC(=O)N1C[C@@H]2[C@H](C1)OCCN2C)NC(=O)[O-] ZINC000824785649 604547678 /nfs/dbraw/zinc/54/76/78/604547678.db2.gz GWWILYWWCPPUBG-MXWKQRLJSA-N -1 0 300.359 -0.243 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])cs1)C(=O)N(C)C ZINC000832803585 604550008 /nfs/dbraw/zinc/55/00/08/604550008.db2.gz PFRVNYYTMGCPIO-ZCFIWIBFSA-N -1 0 313.335 -0.022 20 0 DBADRM CN(C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CCO1)c1cccnn1 ZINC000830722422 604552052 /nfs/dbraw/zinc/55/20/52/604552052.db2.gz AWRSRHKWMHCRLR-IJLUTSLNSA-N -1 0 320.349 -0.139 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)N[C@H]2CCN(C)C2=O)CCO1 ZINC000825308301 604553964 /nfs/dbraw/zinc/55/39/64/604553964.db2.gz DOXOAQLUZQHUQO-GUBZILKMSA-N -1 0 314.342 -0.716 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)N[C@H]2CCN(C)C2=O)CCO1 ZINC000825308303 604554005 /nfs/dbraw/zinc/55/40/05/604554005.db2.gz DOXOAQLUZQHUQO-LPEHRKFASA-N -1 0 314.342 -0.716 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCc2nccn2C)CCO1 ZINC000825317235 604554800 /nfs/dbraw/zinc/55/48/00/604554800.db2.gz CVEJZWUQPYXMGH-VHSXEESVSA-N -1 0 311.342 -0.013 20 0 DBADRM CCN(CC(=O)NCC(=O)N1CCCC1)C1CN(C(=O)[O-])C1 ZINC000827001900 604557914 /nfs/dbraw/zinc/55/79/14/604557914.db2.gz FOJWCCVLIYPLRF-UHFFFAOYSA-N -1 0 312.370 -0.591 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(C)C2)CCO1 ZINC000825309046 604561179 /nfs/dbraw/zinc/56/11/79/604561179.db2.gz INJZEIAWBIWUPP-IVZWLZJFSA-N -1 0 314.342 -0.716 20 0 DBADRM CC(C)C(=O)NCCCNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000833463410 604569149 /nfs/dbraw/zinc/56/91/49/604569149.db2.gz NDBSSJSZMBSKDK-UHFFFAOYSA-N -1 0 309.388 -0.610 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)NCCC(=O)N2CCOCC2)C1 ZINC000740589066 604590535 /nfs/dbraw/zinc/59/05/35/604590535.db2.gz QRXPIHDNZIFRPK-SNVBAGLBSA-N -1 0 314.342 -0.713 20 0 DBADRM CC[C@H](O)CCNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000826625683 604595338 /nfs/dbraw/zinc/59/53/38/604595338.db2.gz HNPHTFHXKPNMPK-NSHDSACASA-N -1 0 302.375 -0.258 20 0 DBADRM C[C@@H]1CN(CCNC(=O)N2CC[C@@H](NC(=O)[O-])C2)CCO1 ZINC000739184133 604595629 /nfs/dbraw/zinc/59/56/29/604595629.db2.gz VCGRZAWCWXHXDU-GHMZBOCLSA-N -1 0 300.359 -0.241 20 0 DBADRM CC[C@H](NC(=O)NC1CN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000826607691 604595852 /nfs/dbraw/zinc/59/58/52/604595852.db2.gz NDQKOCDSZVZENA-JTQLQIEISA-N -1 0 314.342 -0.715 20 0 DBADRM CCCNC(=O)NC(=O)CN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826925338 604598617 /nfs/dbraw/zinc/59/86/17/604598617.db2.gz FNNZGBWHQPYWDV-NXEZZACHSA-N -1 0 316.358 -0.421 20 0 DBADRM CNC(=O)NC(=O)CCN1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828552012 604601353 /nfs/dbraw/zinc/60/13/53/604601353.db2.gz KRUQSOWHNZRCDD-BDAKNGLRSA-N -1 0 302.331 -0.811 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000829686598 604601620 /nfs/dbraw/zinc/60/16/20/604601620.db2.gz CYXKLAHFAOUVDK-MRVPVSSYSA-N -1 0 320.371 -0.928 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2CC[C@@H](NC(=O)[O-])C2)cn1 ZINC000831223031 604609682 /nfs/dbraw/zinc/60/96/82/604609682.db2.gz UQMQIAZNKGRKPR-SECBINFHSA-N -1 0 307.310 -0.268 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[C@@H](NC(=O)[O-])C2)O1 ZINC000831171811 604611781 /nfs/dbraw/zinc/61/17/81/604611781.db2.gz GAWRFTUPBUAFMI-HLTSFMKQSA-N -1 0 300.315 -0.929 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CC(=O)NC(=O)NC2CC2)CCO1 ZINC000825345953 604619354 /nfs/dbraw/zinc/61/93/54/604619354.db2.gz WUNIFDCHEKMLLM-WPRPVWTQSA-N -1 0 314.342 -0.669 20 0 DBADRM CCN(C(=O)CCCN1C(=O)CNC1=O)C1CN(C(=O)[O-])C1 ZINC000826976514 604626059 /nfs/dbraw/zinc/62/60/59/604626059.db2.gz WZMUKCNQSMJMDJ-UHFFFAOYSA-N -1 0 312.326 -0.471 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CCCN2C(=O)CNC2=O)CCO1 ZINC000825350969 604626352 /nfs/dbraw/zinc/62/63/52/604626352.db2.gz MBPHZBCQRYDLDM-ZJUUUORDSA-N -1 0 314.342 -0.715 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@@H]2CC(=O)[O-])n1 ZINC000830557264 604632165 /nfs/dbraw/zinc/63/21/65/604632165.db2.gz SKDMUJOTMLBRAL-SECBINFHSA-N -1 0 324.341 -0.163 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C[C@H](O)CN2CCCC2=O)CCO1 ZINC000825350759 604636242 /nfs/dbraw/zinc/63/62/42/604636242.db2.gz KWQLSZYCBOEPOT-SRVKXCTJSA-N -1 0 315.370 -0.673 20 0 DBADRM COCCN(CCOC)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828979629 604639155 /nfs/dbraw/zinc/63/91/55/604639155.db2.gz KFKIZODULPDABC-NSHDSACASA-N -1 0 304.343 -0.123 20 0 DBADRM Cc1nnc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])C2)[nH]1 ZINC000830735849 604646683 /nfs/dbraw/zinc/64/66/83/604646683.db2.gz VWVLTUSNIFUQCB-VWYCJHECSA-N -1 0 323.353 -0.068 20 0 DBADRM COc1coc(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1=O ZINC000829655110 604653989 /nfs/dbraw/zinc/65/39/89/604653989.db2.gz QGLMUKZYIXNKGM-VXNVDRBHSA-N -1 0 313.262 -0.195 20 0 DBADRM CC(C)NC(=O)CN(C)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000824368625 604657330 /nfs/dbraw/zinc/65/73/30/604657330.db2.gz OFEIABHWBFWVPZ-JTQLQIEISA-N -1 0 301.343 -0.262 20 0 DBADRM CC(C)NC(=O)CN(C)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824368626 604657486 /nfs/dbraw/zinc/65/74/86/604657486.db2.gz OFEIABHWBFWVPZ-SNVBAGLBSA-N -1 0 301.343 -0.262 20 0 DBADRM CCN(CC)C(=O)CN(C)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827026298 604658055 /nfs/dbraw/zinc/65/80/55/604658055.db2.gz ZQOUXYUIQQMCKD-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM CCCc1c(C(=O)NCC(=O)NCCO)[nH]c(C)c1C(=O)[O-] ZINC000829555297 604669625 /nfs/dbraw/zinc/66/96/25/604669625.db2.gz ABYPKWOXLCEMLS-UHFFFAOYSA-N -1 0 311.338 -0.188 20 0 DBADRM CCn1nc(C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)ccc1=O ZINC000827711178 604670176 /nfs/dbraw/zinc/67/01/76/604670176.db2.gz LXYODLVIBZIVSH-ONGXEEELSA-N -1 0 324.337 -0.240 20 0 DBADRM C[C@]1(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCS(=O)(=O)C1 ZINC000825755420 604672627 /nfs/dbraw/zinc/67/26/27/604672627.db2.gz MVUOVTYJSBFOSL-CABZTGNLSA-N -1 0 320.367 -0.551 20 0 DBADRM C[C@@]1(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCS(=O)(=O)C1 ZINC000825755760 604672812 /nfs/dbraw/zinc/67/28/12/604672812.db2.gz WACPSMSCEOPSHK-GZMMTYOYSA-N -1 0 306.340 -0.941 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CCN(C)C(=O)C1)c1cn(CC(=O)[O-])nn1 ZINC000827828195 604673224 /nfs/dbraw/zinc/67/32/24/604673224.db2.gz XISHPRHDEKDFMG-BDAKNGLRSA-N -1 0 310.310 -0.165 20 0 DBADRM COc1ccc(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)nn1 ZINC000829277579 604678542 /nfs/dbraw/zinc/67/85/42/604678542.db2.gz UULWMHIOMRXPBN-WCBMZHEXSA-N -1 0 310.310 -0.018 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827471477 604691053 /nfs/dbraw/zinc/69/10/53/604691053.db2.gz IXCMLXXXOPUPAW-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM COC(=O)N(C)CC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000828699691 604691121 /nfs/dbraw/zinc/69/11/21/604691121.db2.gz JNTMFNFUKLZOSR-IUCAKERBSA-N -1 0 303.315 -0.432 20 0 DBADRM CNC(=O)C1(C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)CCC1 ZINC000828526098 604694492 /nfs/dbraw/zinc/69/44/92/604694492.db2.gz GYEYHEZNOVKJSW-UWVGGRQHSA-N -1 0 313.354 -0.214 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000823569181 604694537 /nfs/dbraw/zinc/69/45/37/604694537.db2.gz XIXLFYQXXPBGBK-WCBMZHEXSA-N -1 0 301.343 -0.215 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCO1 ZINC000825295024 604695198 /nfs/dbraw/zinc/69/51/98/604695198.db2.gz QWXZGAHCIUZQPY-HBNTYKKESA-N -1 0 301.343 -0.800 20 0 DBADRM C[C@@H](OC(=O)c1ccc(C(N)=O)cn1)c1cn(CC(=O)[O-])nn1 ZINC000827854517 604695996 /nfs/dbraw/zinc/69/59/96/604695996.db2.gz YLHNMHULZAROJA-SSDOTTSWSA-N -1 0 319.277 -0.225 20 0 DBADRM Cn1cccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)c1=O ZINC000833056631 604696990 /nfs/dbraw/zinc/69/69/90/604696990.db2.gz WHJMKNLSTYIVRQ-UHFFFAOYSA-N -1 0 306.278 -0.539 20 0 DBADRM COCCOCCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829002221 604697376 /nfs/dbraw/zinc/69/73/76/604697376.db2.gz ORXFBBMGSUXUFW-GHMZBOCLSA-N -1 0 304.343 -0.077 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)N(C)C ZINC000833739142 604698265 /nfs/dbraw/zinc/69/82/65/604698265.db2.gz LKJDJYFJQCFHLK-SSDOTTSWSA-N -1 0 301.324 -0.465 20 0 DBADRM CCN1C[C@@H](C(=O)OCCc2cn(CC(=O)[O-])nn2)CC1=O ZINC000829744856 604698766 /nfs/dbraw/zinc/69/87/66/604698766.db2.gz NPBJMGVASGBHCB-VIFPVBQESA-N -1 0 310.310 -0.683 20 0 DBADRM CCN1C[C@H](C(=O)OCCc2cn(CC(=O)[O-])nn2)CC1=O ZINC000829744851 604698941 /nfs/dbraw/zinc/69/89/41/604698941.db2.gz NPBJMGVASGBHCB-SECBINFHSA-N -1 0 310.310 -0.683 20 0 DBADRM CNC(=O)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(C)C ZINC000833699733 604699989 /nfs/dbraw/zinc/69/99/89/604699989.db2.gz WYSKSKWLOWAHNC-SNVBAGLBSA-N -1 0 315.351 -0.171 20 0 DBADRM C[C@H](CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1)N1CCOCC1 ZINC000824922554 604700402 /nfs/dbraw/zinc/70/04/02/604700402.db2.gz QKPPXSXPMADFKW-NEPJUHHUSA-N -1 0 315.370 -0.408 20 0 DBADRM CC1(CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)OCCO1 ZINC000833566443 604700875 /nfs/dbraw/zinc/70/08/75/604700875.db2.gz YCJHQPCHTLYVBF-UHFFFAOYSA-N -1 0 302.308 -0.179 20 0 DBADRM COC(=O)C1(O)CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000833701847 604703448 /nfs/dbraw/zinc/70/34/48/604703448.db2.gz KABUPKAWTIBTAY-UHFFFAOYSA-N -1 0 309.340 -0.819 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)OCCc2cn(CC(=O)[O-])nn2)C1 ZINC000825834441 604705373 /nfs/dbraw/zinc/70/53/73/604705373.db2.gz QONQOEJIKUHCIB-LLVKDONJSA-N -1 0 324.337 -0.293 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CC(=O)[O-])nc1 ZINC000833762624 604708821 /nfs/dbraw/zinc/70/88/21/604708821.db2.gz YPKKRVKYKSWINA-MRVPVSSYSA-N -1 0 313.335 -0.192 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN2CCCCC2=O)CCO1 ZINC000825303448 604712789 /nfs/dbraw/zinc/71/27/89/604712789.db2.gz VZUZXVISAMIWCI-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM CN([C@@H]1CCNC1=O)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833692463 604714447 /nfs/dbraw/zinc/71/44/47/604714447.db2.gz XAAYFFIIVQMMOJ-ZCFIWIBFSA-N -1 0 304.349 -0.045 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000829938149 604714894 /nfs/dbraw/zinc/71/48/94/604714894.db2.gz BWBJMHSPKCYKKI-GHMZBOCLSA-N -1 0 316.354 -0.571 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000829938150 604714904 /nfs/dbraw/zinc/71/49/04/604714904.db2.gz BWBJMHSPKCYKKI-MNOVXSKESA-N -1 0 316.354 -0.571 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000829955919 604722266 /nfs/dbraw/zinc/72/22/66/604722266.db2.gz VBLPKQMNWLBZPT-MRVPVSSYSA-N -1 0 315.326 -0.735 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CNC(=O)c1cccnc1 ZINC000829956332 604724159 /nfs/dbraw/zinc/72/41/59/604724159.db2.gz YLXUZRCPISVIAY-NSHDSACASA-N -1 0 309.322 -0.241 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CCO1 ZINC000825324467 604725952 /nfs/dbraw/zinc/72/59/52/604725952.db2.gz AUKPQCURIQTHSM-GMSGAONNSA-N -1 0 310.310 -0.389 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825015350 604726047 /nfs/dbraw/zinc/72/60/47/604726047.db2.gz DZPFXOGXSVKVQR-KXUCPTDWSA-N -1 0 322.383 -0.449 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)C(=O)c2cnn(C)c2)CCO1 ZINC000825294350 604726122 /nfs/dbraw/zinc/72/61/22/604726122.db2.gz KWFGRDSGFXGDPA-SCZZXKLOSA-N -1 0 310.310 -0.514 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000831757255 604726490 /nfs/dbraw/zinc/72/64/90/604726490.db2.gz KLDXRFXZLJYQFY-JTQLQIEISA-N -1 0 318.293 -0.020 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828633929 604727188 /nfs/dbraw/zinc/72/71/88/604727188.db2.gz YBYOCUNFGAVPCR-NXEZZACHSA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCCS(C)(=O)=O)CCO1 ZINC000825303918 604727554 /nfs/dbraw/zinc/72/75/54/604727554.db2.gz XPCVQHOAOXHICU-UWVGGRQHSA-N -1 0 322.383 -0.305 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000829937978 604730312 /nfs/dbraw/zinc/73/03/12/604730312.db2.gz BDQBRLJWGMEMPT-MWLCHTKSSA-N -1 0 324.337 -0.289 20 0 DBADRM C[C@H](CN1CCCC1=O)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000824900838 604730446 /nfs/dbraw/zinc/73/04/46/604730446.db2.gz DSECGYKUAROAJX-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CS(=O)(=O)N(CC)CC ZINC000829953931 604730852 /nfs/dbraw/zinc/73/08/52/604730852.db2.gz BBKORUNZPZEUGC-JTQLQIEISA-N -1 0 324.399 -0.394 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)Cn1cc([C@H](C)O)nn1 ZINC000829960601 604731045 /nfs/dbraw/zinc/73/10/45/604731045.db2.gz JTUVDDOQDUEGSU-WPRPVWTQSA-N -1 0 300.315 -0.721 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000829941255 604733678 /nfs/dbraw/zinc/73/36/78/604733678.db2.gz YVJSBQMXCOFSRM-UWVGGRQHSA-N -1 0 301.343 -0.275 20 0 DBADRM CS(=O)(=O)CCCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000829674194 604734437 /nfs/dbraw/zinc/73/44/37/604734437.db2.gz ORUDJWDXUPIASQ-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM O=C([O-])CCc1csc(NC(=O)CN2CC(=O)NC2=O)n1 ZINC000833238006 604737892 /nfs/dbraw/zinc/73/78/92/604737892.db2.gz QXSVKVGMKXNIJU-UHFFFAOYSA-N -1 0 312.307 -0.349 20 0 DBADRM CCCN(CC(=O)NC)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826897541 604738113 /nfs/dbraw/zinc/73/81/13/604738113.db2.gz KJDRKCXFMYIJJP-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000262118654 604741212 /nfs/dbraw/zinc/74/12/12/604741212.db2.gz KZDCUQBEMBBMKB-SNVBAGLBSA-N -1 0 322.383 -0.592 20 0 DBADRM C[C@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)c1nnc2n1CCC2 ZINC000825096094 604741446 /nfs/dbraw/zinc/74/14/46/604741446.db2.gz YXEIVJSKEOTUOQ-DTWKUNHWSA-N -1 0 309.326 -0.220 20 0 DBADRM Cn1nc(CC(=O)NC2CN(C(=O)[O-])C2)c2ccccc2c1=O ZINC000740300610 604745905 /nfs/dbraw/zinc/74/59/05/604745905.db2.gz BEOQDWSDDRTCLS-UHFFFAOYSA-N -1 0 316.317 -0.046 20 0 DBADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)NC1CN(C(=O)[O-])C1 ZINC000740151315 604748563 /nfs/dbraw/zinc/74/85/63/604748563.db2.gz ZHAAIVLVOZDCDN-UHFFFAOYSA-N -1 0 313.335 -0.266 20 0 DBADRM Cn1c2ccccc2n(CC(=O)NC2CN(C(=O)[O-])C2)c1=O ZINC000740278326 604750753 /nfs/dbraw/zinc/75/07/53/604750753.db2.gz LMOIDYHCXRUVMI-UHFFFAOYSA-N -1 0 304.306 -0.182 20 0 DBADRM COC(=O)C1(O)CCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000833701617 604750782 /nfs/dbraw/zinc/75/07/82/604750782.db2.gz DXLBWKTXJUCCQS-VIFPVBQESA-N -1 0 302.327 -0.195 20 0 DBADRM O=C([O-])N1CC(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000740403065 604754134 /nfs/dbraw/zinc/75/41/34/604754134.db2.gz ICEJMDSMDSOQFP-LURJTMIESA-N -1 0 309.244 -0.124 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000739749955 604765011 /nfs/dbraw/zinc/76/50/11/604765011.db2.gz MCJHSGJDUZCTQG-UHFFFAOYSA-N -1 0 313.335 -0.313 20 0 DBADRM CC(C)N(CCC(=O)N(C)CC(=O)[O-])CCS(C)(=O)=O ZINC000833496809 604767360 /nfs/dbraw/zinc/76/73/60/604767360.db2.gz RPIYTPCUIINGGI-UHFFFAOYSA-N -1 0 308.400 -0.326 20 0 DBADRM CCCN(C)S(=O)(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000826892802 604768679 /nfs/dbraw/zinc/76/86/79/604768679.db2.gz KQJOAIRBSUMPTM-VHSXEESVSA-N -1 0 309.388 -0.070 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@@H](O)c2cccnc2)CCO1 ZINC000825295578 604772325 /nfs/dbraw/zinc/77/23/25/604772325.db2.gz VMGLNBPCUDCOAA-DLOVCJGASA-N -1 0 309.322 -0.002 20 0 DBADRM CCOC(=O)NCC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827328054 604773370 /nfs/dbraw/zinc/77/33/70/604773370.db2.gz MUAUKKAOZCXGMY-IUCAKERBSA-N -1 0 303.315 -0.384 20 0 DBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1CN(C(=O)[O-])C1 ZINC000740357103 604773535 /nfs/dbraw/zinc/77/35/35/604773535.db2.gz OFSNUOMLIXIIDB-UHFFFAOYSA-N -1 0 324.337 -0.281 20 0 DBADRM O=C([O-])CC1CCN(c2ccc(C(=O)NCCO)nn2)CC1 ZINC000833214759 604773630 /nfs/dbraw/zinc/77/36/30/604773630.db2.gz QTHUPZSOYACKMJ-UHFFFAOYSA-N -1 0 308.338 -0.110 20 0 DBADRM CCn1ccnc1S(=O)(=O)CCc1cn(CC(=O)[O-])nn1 ZINC000830429672 604776272 /nfs/dbraw/zinc/77/62/72/604776272.db2.gz JBBSBGUBEKDYTA-UHFFFAOYSA-N -1 0 313.339 -0.405 20 0 DBADRM O=C([O-])N1CC(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000740402978 604777686 /nfs/dbraw/zinc/77/76/86/604777686.db2.gz FMJMCPQGDABRHL-NKWVEPMBSA-N -1 0 309.244 -0.078 20 0 DBADRM CC(=O)NCCNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000823580267 604779745 /nfs/dbraw/zinc/77/97/45/604779745.db2.gz QLMJJEOOJSDILS-PSASIEDQSA-N -1 0 302.331 -0.811 20 0 DBADRM CC(=O)NC1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823574078 604790512 /nfs/dbraw/zinc/79/05/12/604790512.db2.gz CBDGTUAFPVMGPH-GFCCVEGCSA-N -1 0 313.354 -0.118 20 0 DBADRM CCC(CC)(NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C(N)=O ZINC000826566893 604792510 /nfs/dbraw/zinc/79/25/10/604792510.db2.gz ZVVHXISQYOJPHD-VIFPVBQESA-N -1 0 301.343 -0.084 20 0 DBADRM CCN(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)[C@@H]1CC(=O)NC1=O ZINC000826975237 604792513 /nfs/dbraw/zinc/79/25/13/604792513.db2.gz AXCVZTNQXGTKGZ-DTWKUNHWSA-N -1 0 313.310 -0.981 20 0 DBADRM O=C([O-])c1ccc(NCCNS(=O)(=O)c2cccnc2)nn1 ZINC000833320828 604797381 /nfs/dbraw/zinc/79/73/81/604797381.db2.gz PDVIISKSLXBANY-UHFFFAOYSA-N -1 0 323.334 -0.040 20 0 DBADRM CC1(C)CN(CCNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000825734917 604804186 /nfs/dbraw/zinc/80/41/86/604804186.db2.gz RRHXZGBXELBKHB-NSHDSACASA-N -1 0 315.370 -0.408 20 0 DBADRM CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827954465 604806291 /nfs/dbraw/zinc/80/62/91/604806291.db2.gz TWYONDTWQUORAC-IUCAKERBSA-N -1 0 317.367 -0.645 20 0 DBADRM CNC(=O)C(C)(C)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000230386994 604809062 /nfs/dbraw/zinc/80/90/62/604809062.db2.gz WEEVYTXXJGSAKL-UHFFFAOYSA-N -1 0 321.399 -0.610 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCC(=O)Nc2ccccn2)C1 ZINC000831431781 604810896 /nfs/dbraw/zinc/81/08/96/604810896.db2.gz BXZUWQSEOBASPJ-SNVBAGLBSA-N -1 0 322.321 -0.095 20 0 DBADRM CC(CO)(CO)C(=O)OCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833518984 604812124 /nfs/dbraw/zinc/81/21/24/604812124.db2.gz PFSLQFYQPJBCOZ-UHFFFAOYSA-N -1 0 311.290 -0.143 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828704318 604812762 /nfs/dbraw/zinc/81/27/62/604812762.db2.gz JYJXLKOELPASIF-ZJUUUORDSA-N -1 0 315.326 -0.288 20 0 DBADRM CN(CCN1CCOCC1)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828316876 604816211 /nfs/dbraw/zinc/81/62/11/604816211.db2.gz WBTOTOKNXNROFS-LBPRGKRZSA-N -1 0 315.370 -0.454 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000830800270 604817921 /nfs/dbraw/zinc/81/79/21/604817921.db2.gz WNFSJQNMPKKGJB-QWRGUYRKSA-N -1 0 323.353 -0.214 20 0 DBADRM COCc1nc2n(n1)CCC[C@H]2NC(=O)NC1CN(C(=O)[O-])C1 ZINC000829049391 604821197 /nfs/dbraw/zinc/82/11/97/604821197.db2.gz FQHGQKFPSQZYPI-SECBINFHSA-N -1 0 324.341 -0.079 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000832070058 604822759 /nfs/dbraw/zinc/82/27/59/604822759.db2.gz WASYFIPQMVBWMZ-VIFPVBQESA-N -1 0 306.340 -0.988 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000828642692 604830322 /nfs/dbraw/zinc/83/03/22/604830322.db2.gz XDJNRQHFFGEZFJ-NXEZZACHSA-N -1 0 316.310 -0.844 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000830978309 604833252 /nfs/dbraw/zinc/83/32/52/604833252.db2.gz DKGDFPXCQZSULX-SSDOTTSWSA-N -1 0 315.355 -0.511 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)OCC(=O)NCCC(=O)[O-])C1 ZINC000828556856 604842604 /nfs/dbraw/zinc/84/26/04/604842604.db2.gz HDMXMVVOIOIIAB-VIFPVBQESA-N -1 0 300.311 -0.621 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000824035657 604842660 /nfs/dbraw/zinc/84/26/60/604842660.db2.gz XMTIRLJZAZQCCR-NSHDSACASA-N -1 0 315.370 -0.720 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N[C@@]2(C(=O)[O-])CCSC2)C1=O ZINC000043510886 604843434 /nfs/dbraw/zinc/84/34/34/604843434.db2.gz USHFWOODVQICTH-LBPRGKRZSA-N -1 0 315.351 -0.607 20 0 DBADRM COC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NCC(=O)[O-])c1C ZINC000831218304 604847542 /nfs/dbraw/zinc/84/75/42/604847542.db2.gz BVRXZOUGFGMSKE-UHFFFAOYSA-N -1 0 312.278 -0.224 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000833501603 604848541 /nfs/dbraw/zinc/84/85/41/604848541.db2.gz DFOXTKTVPPLEKV-ZDUSSCGKSA-N -1 0 317.411 -0.481 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCOC[C@H]2CCOC2)C1 ZINC000831694204 604854679 /nfs/dbraw/zinc/85/46/79/604854679.db2.gz SJKPIQAVOFKRCE-QWRGUYRKSA-N -1 0 302.327 -0.466 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000827472668 604859150 /nfs/dbraw/zinc/85/91/50/604859150.db2.gz WIFFPZBXDMSQRS-UWVGGRQHSA-N -1 0 322.383 -0.305 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)c1cnccc1C(=O)[O-] ZINC000831175376 604867935 /nfs/dbraw/zinc/86/79/35/604867935.db2.gz LPGLXMZOHUXEPA-SSDOTTSWSA-N -1 0 310.262 -0.386 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCCOC[C@@H]2CCOC2)C1 ZINC000831680320 604868352 /nfs/dbraw/zinc/86/83/52/604868352.db2.gz GMMDEXWDSSGNFX-NWDGAFQWSA-N -1 0 316.354 -0.075 20 0 DBADRM C[C@@H](O)CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000736676417 604870749 /nfs/dbraw/zinc/87/07/49/604870749.db2.gz MLHCPOUKXRBBKS-BXKDBHETSA-N -1 0 322.317 -0.248 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NC[C@@]2(CCO)CCOC2)C1 ZINC000831629090 604882509 /nfs/dbraw/zinc/88/25/09/604882509.db2.gz XQAHMWOFALSIBN-GXFFZTMASA-N -1 0 301.343 -0.173 20 0 DBADRM CC(C)C(=O)NCCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833467750 604889343 /nfs/dbraw/zinc/88/93/43/604889343.db2.gz SSXFXAATDSSMDF-NSHDSACASA-N -1 0 315.370 -0.374 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)N[C@H]1CCCS(=O)(=O)C1 ZINC000831374165 604893906 /nfs/dbraw/zinc/89/39/06/604893906.db2.gz HOJDOBJQRXUPQA-UWVGGRQHSA-N -1 0 320.367 -0.551 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C[C@@H]1C ZINC000828638726 604894688 /nfs/dbraw/zinc/89/46/88/604894688.db2.gz CNKIMYLFNWLRAT-AEJSXWLSSA-N -1 0 300.311 -0.367 20 0 DBADRM C[C@@]1(NC(=O)Nc2ccn(CC(=O)[O-])n2)CCS(=O)(=O)C1 ZINC000828110552 604894590 /nfs/dbraw/zinc/89/45/90/604894590.db2.gz IIKASTWSFKXZHB-LLVKDONJSA-N -1 0 316.339 -0.334 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C[C@H]1C ZINC000828638729 604894901 /nfs/dbraw/zinc/89/49/01/604894901.db2.gz CNKIMYLFNWLRAT-OPRDCNLKSA-N -1 0 300.311 -0.367 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)N[C@@H]2CC[S@@](=O)C2)CCO1 ZINC000825308439 604895555 /nfs/dbraw/zinc/89/55/55/604895555.db2.gz FZIZYHWPNCFGSY-ZEBSBDIBSA-N -1 0 319.383 -0.426 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CCc1cn(CC(=O)[O-])nn1 ZINC000833586825 604896260 /nfs/dbraw/zinc/89/62/60/604896260.db2.gz HBQTVOBZNPJIKA-NXEZZACHSA-N -1 0 316.383 -0.587 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)C1 ZINC000832049945 604898419 /nfs/dbraw/zinc/89/84/19/604898419.db2.gz LGMYQCLEUWSLGZ-WOPDTQHZSA-N -1 0 314.338 -0.228 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000825014923 604900685 /nfs/dbraw/zinc/90/06/85/604900685.db2.gz BMHRXJYVRYPYGD-VHSXEESVSA-N -1 0 322.383 -0.353 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000825014918 604900750 /nfs/dbraw/zinc/90/07/50/604900750.db2.gz BMHRXJYVRYPYGD-NXEZZACHSA-N -1 0 322.383 -0.353 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000825016459 604900798 /nfs/dbraw/zinc/90/07/98/604900798.db2.gz QNRSTUBUVMTIQO-DTWKUNHWSA-N -1 0 308.356 -0.743 20 0 DBADRM COc1ncc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1C(N)=O ZINC000829659904 604901398 /nfs/dbraw/zinc/90/13/98/604901398.db2.gz GRVZIMOBDNPLSC-SECBINFHSA-N -1 0 324.293 -0.494 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000824809885 604902673 /nfs/dbraw/zinc/90/26/73/604902673.db2.gz LOJLYIBYSPNPQJ-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM NC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831190445 604903685 /nfs/dbraw/zinc/90/36/85/604903685.db2.gz XDRQYDFNJSYPJA-LBPRGKRZSA-N -1 0 321.333 -0.121 20 0 DBADRM CC(=O)N[C@@H](C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)C(C)C ZINC000833396228 604903945 /nfs/dbraw/zinc/90/39/45/604903945.db2.gz ZHLLPKIFDXGTNU-VXGBXAGGSA-N -1 0 300.355 -0.169 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)N[C@@H]1CCc2ncnn2C1 ZINC000831383753 604905279 /nfs/dbraw/zinc/90/52/79/604905279.db2.gz WYDWQYLLHWRHDD-ZJUUUORDSA-N -1 0 309.326 -0.522 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833747450 604905521 /nfs/dbraw/zinc/90/55/21/604905521.db2.gz YSMQWMNNQZNXTE-AWEZNQCLSA-N -1 0 324.333 -0.454 20 0 DBADRM CN(C)c1ncc(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)n1C ZINC000828078603 604905673 /nfs/dbraw/zinc/90/56/73/604905673.db2.gz ZAIQLEMGWVFDSC-SNVBAGLBSA-N -1 0 311.342 -0.519 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000825876096 604905746 /nfs/dbraw/zinc/90/57/46/604905746.db2.gz QKNRGAVNEGPZSH-UHFFFAOYSA-N -1 0 322.321 -0.249 20 0 DBADRM COCCN1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828993142 604907037 /nfs/dbraw/zinc/90/70/37/604907037.db2.gz XRHADWFZHQQPQR-LBPRGKRZSA-N -1 0 315.370 -0.454 20 0 DBADRM NC(=O)N1CC[C@H](NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831200244 604907164 /nfs/dbraw/zinc/90/71/64/604907164.db2.gz XWUIXQXBSIVKHY-DTWKUNHWSA-N -1 0 300.315 -0.976 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)C(=O)Nc1cnn(C)c1)C(=O)[O-] ZINC000828186793 604913445 /nfs/dbraw/zinc/91/34/45/604913445.db2.gz UKBGFWFWEMQTHT-SNVBAGLBSA-N -1 0 309.326 -0.041 20 0 DBADRM CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000827642533 604917935 /nfs/dbraw/zinc/91/79/35/604917935.db2.gz JEUSFTZGGSLGBY-NXEZZACHSA-N -1 0 323.353 -0.350 20 0 DBADRM NC(=O)C1(CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCCC1 ZINC000831167996 604921585 /nfs/dbraw/zinc/92/15/85/604921585.db2.gz VFAQGSKAKDETQZ-SNVBAGLBSA-N -1 0 313.354 -0.083 20 0 DBADRM O=C(CC1CN(C(=O)[O-])C1)Nc1n[nH]c(SCCO)n1 ZINC000831369479 604935924 /nfs/dbraw/zinc/93/59/24/604935924.db2.gz FGIZGYCTORNEQO-UHFFFAOYSA-N -1 0 301.328 -0.173 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)nn1 ZINC000833121413 604940299 /nfs/dbraw/zinc/94/02/99/604940299.db2.gz GRFAFXJMSYFPOO-WCQYABFASA-N -1 0 302.290 -0.249 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000825778096 604940433 /nfs/dbraw/zinc/94/04/33/604940433.db2.gz HZRHPJDBVPEPAJ-UTLUCORTSA-N -1 0 320.367 -0.601 20 0 DBADRM COC(=O)[C@](C)(NC(=O)[C@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000828602649 604940804 /nfs/dbraw/zinc/94/08/04/604940804.db2.gz XFBZRJMCRLFVQX-NOZJJQNGSA-N -1 0 300.311 -0.177 20 0 DBADRM CC(C)N1C(=O)N[C@]2(CCN(C(=O)CCNC(=O)[O-])C2)C1=O ZINC000833501331 604940849 /nfs/dbraw/zinc/94/08/49/604940849.db2.gz VHSWJFLNIDFELB-ZDUSSCGKSA-N -1 0 312.326 -0.425 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000825779466 604942369 /nfs/dbraw/zinc/94/23/69/604942369.db2.gz ZQTOWDGQUGYRFA-FHLBAOBRSA-N -1 0 304.368 -0.267 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000833739419 604943856 /nfs/dbraw/zinc/94/38/56/604943856.db2.gz BYGMWELGCIGLTD-ZETCQYMHSA-N -1 0 301.324 -0.394 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN(c2nccn2C)CC1)C(=O)[O-] ZINC000833519101 604944992 /nfs/dbraw/zinc/94/49/92/604944992.db2.gz MISPPPTWZBORHQ-JTQLQIEISA-N -1 0 316.383 -0.407 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826094302 604946586 /nfs/dbraw/zinc/94/65/86/604946586.db2.gz WEBSYJPCKNDBCT-VHSXEESVSA-N -1 0 320.367 -0.599 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000827300078 604949307 /nfs/dbraw/zinc/94/93/07/604949307.db2.gz VCYSOSCULKJFTP-ZJUUUORDSA-N -1 0 316.310 -0.844 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000832050102 604950069 /nfs/dbraw/zinc/95/00/69/604950069.db2.gz NDPJAANKCZQYNZ-GMSGAONNSA-N -1 0 312.244 -0.109 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000832050103 604950130 /nfs/dbraw/zinc/95/01/30/604950130.db2.gz NDPJAANKCZQYNZ-OIBJUYFYSA-N -1 0 312.244 -0.109 20 0 DBADRM O=C([O-])N1CC(NC(=O)Cn2nnc(-c3ccccc3)n2)C1 ZINC000740390540 604951516 /nfs/dbraw/zinc/95/15/16/604951516.db2.gz KNLVQPVNUMUFIH-UHFFFAOYSA-N -1 0 302.294 -0.182 20 0 DBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)NC1CN(C(=O)[O-])C1 ZINC000739052041 604952273 /nfs/dbraw/zinc/95/22/73/604952273.db2.gz FDCZSINEEVSTBT-ZCFIWIBFSA-N -1 0 312.355 -0.033 20 0 DBADRM Cc1ccc(C(=O)NC2CN(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000830210811 604953656 /nfs/dbraw/zinc/95/36/56/604953656.db2.gz DODMXHGTMAGTMQ-UHFFFAOYSA-N -1 0 313.335 -0.266 20 0 DBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)NC1CN(C(=O)[O-])C1 ZINC000740379412 604954121 /nfs/dbraw/zinc/95/41/21/604954121.db2.gz HEIQKBJEMPYFGS-QMMMGPOBSA-N -1 0 308.381 -0.615 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000833080796 604956051 /nfs/dbraw/zinc/95/60/51/604956051.db2.gz CPCLJXUTFHXIAK-UHFFFAOYSA-N -1 0 309.297 -0.233 20 0 DBADRM COC[C@@H]1CN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000828930044 604958517 /nfs/dbraw/zinc/95/85/17/604958517.db2.gz NHZNQBWDJVXFGE-QWRGUYRKSA-N -1 0 302.327 -0.371 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)OCC(=O)NC(=O)NCc1ccco1 ZINC000833740692 604961106 /nfs/dbraw/zinc/96/11/06/604961106.db2.gz QZBMCTIVVREYKP-ZETCQYMHSA-N -1 0 313.266 -0.195 20 0 DBADRM C[C@H](CN(C)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000827442752 604964145 /nfs/dbraw/zinc/96/41/45/604964145.db2.gz QZHREXIFAXJVNS-OPRDCNLKSA-N -1 0 306.384 -0.669 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)OCC(=O)NCCCN1CCCC1=O ZINC000833740300 604964713 /nfs/dbraw/zinc/96/47/13/604964713.db2.gz HGVNBHNMLBGKCU-VIFPVBQESA-N -1 0 315.326 -0.686 20 0 DBADRM COC(=O)[C@@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000828607223 604976253 /nfs/dbraw/zinc/97/62/53/604976253.db2.gz IMQSELGMZSRMMM-KOLCDFICSA-N -1 0 300.311 -0.177 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833656776 604976332 /nfs/dbraw/zinc/97/63/32/604976332.db2.gz HFPJBCOOSLRKHR-WCBMZHEXSA-N -1 0 301.343 -0.622 20 0 DBADRM CC(C)CNC(=O)NC(=O)CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833487939 604982015 /nfs/dbraw/zinc/98/20/15/604982015.db2.gz BLKWCOKACSJUIY-LBPRGKRZSA-N -1 0 315.370 -0.374 20 0 DBADRM CCc1nc(NC(=O)c2cn(CC(N)=O)nn2)sc1C(=O)[O-] ZINC000833675008 604999168 /nfs/dbraw/zinc/99/91/68/604999168.db2.gz LEWVZQHVFLOOFR-UHFFFAOYSA-N -1 0 324.322 -0.267 20 0 DBADRM CCc1nnc([C@@H](C)NS(=O)(=O)N(C)CCC(=O)[O-])[nH]1 ZINC000833673579 605004864 /nfs/dbraw/zinc/00/48/64/605004864.db2.gz KRQAQROWBUIREP-SSDOTTSWSA-N -1 0 305.360 -0.331 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCCSCC(=O)[O-])cn1 ZINC000833762616 605010495 /nfs/dbraw/zinc/01/04/95/605010495.db2.gz YLHQDUBSTYZAKN-UHFFFAOYSA-N -1 0 319.364 -0.723 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCSC[C@H]1C(N)=O)C(=O)[O-] ZINC000833476800 605015470 /nfs/dbraw/zinc/01/54/70/605015470.db2.gz DNETZBHXBAPWQC-ZJUUUORDSA-N -1 0 317.411 -0.495 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCSC[C@H]1C(N)=O)C(=O)[O-] ZINC000833638895 605016780 /nfs/dbraw/zinc/01/67/80/605016780.db2.gz LGORRXONTUTCLV-QXEWZRGKSA-N -1 0 317.411 -0.495 20 0 DBADRM C/C(=C\COC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC000833383474 605017432 /nfs/dbraw/zinc/01/74/32/605017432.db2.gz MRBHNDMXKWBPKZ-QPJJXVBHSA-N -1 0 300.292 -0.083 20 0 DBADRM CN(C)C(=O)CCCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000833687431 605021353 /nfs/dbraw/zinc/02/13/53/605021353.db2.gz FSYVXIDABDKOIJ-UHFFFAOYSA-N -1 0 321.380 -0.012 20 0 DBADRM CC[S@](=O)CCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000833668541 605027229 /nfs/dbraw/zinc/02/72/29/605027229.db2.gz SJFHEQPNLDGEJR-SFHVURJKSA-N -1 0 309.369 -0.537 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000820503918 605027825 /nfs/dbraw/zinc/02/78/25/605027825.db2.gz JHBAESOMSMNJDP-JTQLQIEISA-N -1 0 310.310 -0.767 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)C(=O)[O-] ZINC000833518246 605028948 /nfs/dbraw/zinc/02/89/48/605028948.db2.gz WBKJGKPXAYYWKO-LURJTMIESA-N -1 0 311.269 -0.300 20 0 DBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCCO)c1 ZINC000833714281 605030593 /nfs/dbraw/zinc/03/05/93/605030593.db2.gz AUWUOCDBDSFVNJ-UHFFFAOYSA-N -1 0 303.292 -0.558 20 0 DBADRM CC(C)COC[C@@H](O)CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000833487391 605031205 /nfs/dbraw/zinc/03/12/05/605031205.db2.gz CGJZDJKSTHVDBW-JTQLQIEISA-N -1 0 312.388 -0.739 20 0 DBADRM COC(=O)c1cncc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)c1 ZINC000833717989 605031764 /nfs/dbraw/zinc/03/17/64/605031764.db2.gz XKDPPSLBFXDUQY-VIFPVBQESA-N -1 0 310.262 -0.386 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCS(C)(=O)=O ZINC000833627642 605047985 /nfs/dbraw/zinc/04/79/85/605047985.db2.gz YGFZXQCZFNMGAO-JTQLQIEISA-N -1 0 321.399 -0.779 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cn1 ZINC000833681944 605051458 /nfs/dbraw/zinc/05/14/58/605051458.db2.gz MUKXKUHPMUXZPD-NSHDSACASA-N -1 0 317.367 -0.251 20 0 DBADRM CC[S@@](=O)CCNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833668472 605053595 /nfs/dbraw/zinc/05/35/95/605053595.db2.gz QHEZLCUYTJQQKN-WIUDPPPLSA-N -1 0 319.427 -0.055 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccnc3c(C(N)=O)cnn32)C[C@@H]1C(=O)[O-] ZINC000833626490 605054598 /nfs/dbraw/zinc/05/45/98/605054598.db2.gz XLHGHQMRTBKLDT-APPZFPTMSA-N -1 0 317.305 -0.379 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccnc3c(C(N)=O)cnn32)C1 ZINC000833553705 605055061 /nfs/dbraw/zinc/05/50/61/605055061.db2.gz HRNNQVQYMDHOPD-CQSZACIVSA-N -1 0 317.305 -0.235 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[O-])CC2)c(=O)n(C)c1 ZINC000830089194 605073839 /nfs/dbraw/zinc/07/38/39/605073839.db2.gz DAYWVCMDIPUJJC-UHFFFAOYSA-N -1 0 322.321 -0.546 20 0 DBADRM CCOC(=O)N(C)CCOC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827320761 605076821 /nfs/dbraw/zinc/07/68/21/605076821.db2.gz OUKLFDRWIIWMEU-VIFPVBQESA-N -1 0 304.299 -0.003 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CC1=O ZINC000170581181 605078704 /nfs/dbraw/zinc/07/87/04/605078704.db2.gz XDCSPGDPSJSCDG-KOLCDFICSA-N -1 0 324.337 -0.984 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC000827538755 605080417 /nfs/dbraw/zinc/08/04/17/605080417.db2.gz ISJFUNRGZQVBDA-VIFPVBQESA-N -1 0 315.326 -0.686 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C ZINC000827538127 605080754 /nfs/dbraw/zinc/08/07/54/605080754.db2.gz BAPUMXRIRRGPOT-SFYZADRCSA-N -1 0 303.315 -0.831 20 0 DBADRM CC(=O)NCCCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000383474624 605085766 /nfs/dbraw/zinc/08/57/66/605085766.db2.gz MASCVPHXWLCARC-UHFFFAOYSA-N -1 0 301.343 -0.307 20 0 DBADRM CS[C@H](C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000826225448 607733400 /nfs/dbraw/zinc/73/34/00/607733400.db2.gz CIBOQLCMANOKHF-ZCFIWIBFSA-N -1 0 311.371 -0.573 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])[C@H]1c1cccnc1 ZINC000833698095 605089291 /nfs/dbraw/zinc/08/92/91/605089291.db2.gz NLMMQAHSKOEENG-JFGNBEQYSA-N -1 0 307.306 -0.837 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000833697806 605091087 /nfs/dbraw/zinc/09/10/87/605091087.db2.gz KLMFXCNFGCOLAE-NTZNESFSSA-N -1 0 324.308 -0.093 20 0 DBADRM CC1CCC(NS(=O)(=O)CC(=O)NC[C@H](O)C(=O)[O-])CC1 ZINC000833603927 605092192 /nfs/dbraw/zinc/09/21/92/605092192.db2.gz OKDWQWNEGYPRRP-RTBKNWGFSA-N -1 0 322.383 -0.954 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCCC2)cn1 ZINC000833762619 605104998 /nfs/dbraw/zinc/10/49/98/605104998.db2.gz YLUBTECOZDKYDK-UHFFFAOYSA-N -1 0 313.335 -0.144 20 0 DBADRM C[C@@H](CS(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1)C(=O)[O-] ZINC000833519202 605117087 /nfs/dbraw/zinc/11/70/87/605117087.db2.gz NPIKZSYYZUMYCR-ONGXEEELSA-N -1 0 319.379 -0.241 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCS(=O)(=O)CC1CC1 ZINC000831699438 605121814 /nfs/dbraw/zinc/12/18/14/605121814.db2.gz JBQYLEFVIIGMKT-UWVGGRQHSA-N -1 0 320.367 -0.959 20 0 DBADRM COC(=O)C[C@@H]1NC(=O)N(CC2CCN(C(=O)[O-])CC2)C1=O ZINC000828664063 605122678 /nfs/dbraw/zinc/12/26/78/605122678.db2.gz VGYOCJAWIQQOMO-VIFPVBQESA-N -1 0 313.310 -0.140 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000827045746 605137612 /nfs/dbraw/zinc/13/76/12/605137612.db2.gz KPDOAIZBWGJSLK-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCO[C@@H](C(=O)NC)C1)C(=O)[O-] ZINC000833636823 605138658 /nfs/dbraw/zinc/13/86/58/605138658.db2.gz ARHZMPFPUONBNL-HOSYDEDBSA-N -1 0 315.370 -0.951 20 0 DBADRM CC(C)(CNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000833457081 605146854 /nfs/dbraw/zinc/14/68/54/605146854.db2.gz ADDGEIMPNGJHGB-SECBINFHSA-N -1 0 321.399 -0.322 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000833699064 605147802 /nfs/dbraw/zinc/14/78/02/605147802.db2.gz DZIJDUXQTIBLEA-GMTAPVOTSA-N -1 0 313.354 -0.214 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000833699066 605148122 /nfs/dbraw/zinc/14/81/22/605148122.db2.gz DZIJDUXQTIBLEA-MXWKQRLJSA-N -1 0 313.354 -0.214 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000833469656 605148396 /nfs/dbraw/zinc/14/83/96/605148396.db2.gz XWPVAWFCDJJBSH-NXEZZACHSA-N -1 0 321.399 -0.324 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[C@H](NC(=O)[O-])C1 ZINC000738626753 605160440 /nfs/dbraw/zinc/16/04/40/605160440.db2.gz WFSNPNBGZUQUQK-UTLUCORTSA-N -1 0 319.383 -0.980 20 0 DBADRM CS(=O)(=O)CCN(C(=O)Cn1cc(C(=O)[O-])nn1)C1CC1 ZINC000833738054 605168273 /nfs/dbraw/zinc/16/82/73/605168273.db2.gz MPPUEOQUBULVET-UHFFFAOYSA-N -1 0 316.339 -0.988 20 0 DBADRM COCCOCCS(=O)(=O)NC1CCN(C(=O)[O-])CC1 ZINC000829002934 605169678 /nfs/dbraw/zinc/16/96/78/605169678.db2.gz ZRNFDIDIVSEXND-UHFFFAOYSA-N -1 0 310.372 -0.289 20 0 DBADRM O=C([O-])NCc1nnnn1Cc1nc(CC(F)(F)F)no1 ZINC000832745228 605175077 /nfs/dbraw/zinc/17/50/77/605175077.db2.gz UZBKLPOTEAILCT-UHFFFAOYSA-N -1 0 307.192 -0.023 20 0 DBADRM O=C([O-])NCc1nnnn1CN1C(=O)c2ccccc2C1=O ZINC000832745474 605178532 /nfs/dbraw/zinc/17/85/32/605178532.db2.gz XCJJKODYKZKAKM-UHFFFAOYSA-N -1 0 302.250 -0.306 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NCC(=O)N1CCOCC1 ZINC000833479978 605185685 /nfs/dbraw/zinc/18/56/85/605185685.db2.gz OZVPHXLOJJOFLY-SNVBAGLBSA-N -1 0 301.343 -0.356 20 0 DBADRM C[C@H]1CN(C(=O)NC2CN(C(=O)[O-])C2)CCN1S(C)(=O)=O ZINC000833740593 605196596 /nfs/dbraw/zinc/19/65/96/605196596.db2.gz GZFYDFFVOGROIL-QMMMGPOBSA-N -1 0 320.371 -0.976 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])O[C@H]1CCCNC1=O ZINC000831475003 605197957 /nfs/dbraw/zinc/19/79/57/605197957.db2.gz VJWALHXCTMVQIV-UWVGGRQHSA-N -1 0 300.311 -0.033 20 0 DBADRM CN(C)C(=O)CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833687935 605198061 /nfs/dbraw/zinc/19/80/61/605198061.db2.gz DFIGGHHNRZWZDK-UHFFFAOYSA-N -1 0 304.299 -0.110 20 0 DBADRM C[C@H]1CN(C(=O)COC(=O)[C@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000825988073 605202001 /nfs/dbraw/zinc/20/20/01/605202001.db2.gz HTGJZWTVANEXLC-VHSXEESVSA-N -1 0 316.310 -0.844 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CCS1(=O)=O ZINC000707246057 605204059 /nfs/dbraw/zinc/20/40/59/605204059.db2.gz BLCMKGWPIMNGMW-SSDOTTSWSA-N -1 0 323.348 -0.215 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827250197 605205389 /nfs/dbraw/zinc/20/53/89/605205389.db2.gz RLXNAFVCXNADGF-SFYZADRCSA-N -1 0 317.298 -0.857 20 0 DBADRM C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000707189675 605205938 /nfs/dbraw/zinc/20/59/38/605205938.db2.gz HFAAXKRXGIVTQL-SSDOTTSWSA-N -1 0 302.308 -0.123 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCCC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826428738 607740460 /nfs/dbraw/zinc/74/04/60/607740460.db2.gz JRNGIEQSNZGGIZ-UHFFFAOYSA-N -1 0 314.313 -0.093 20 0 DBADRM COCCCNC(=O)[C@@H](C)OC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828950544 605210485 /nfs/dbraw/zinc/21/04/85/605210485.db2.gz LXQQNCSFHLBCBY-NXEZZACHSA-N -1 0 318.326 -0.550 20 0 DBADRM NC(=O)C1(NC(=O)c2ccc(CNC(=O)[O-])o2)CCOCC1 ZINC000831174114 605220967 /nfs/dbraw/zinc/22/09/67/605220967.db2.gz QRBPYBXSOUYEBR-UHFFFAOYSA-N -1 0 311.294 -0.189 20 0 DBADRM CC(C)(CC(=O)NC[C@@H](O)CN1CCOCC1)NC(=O)[O-] ZINC000823882236 605223676 /nfs/dbraw/zinc/22/36/76/605223676.db2.gz RNCFGFZOLSTYRO-SNVBAGLBSA-N -1 0 303.359 -0.768 20 0 DBADRM CCS(=O)(=O)NCC(=O)N(C)C1CCN(C(=O)[O-])CC1 ZINC000827476297 605229467 /nfs/dbraw/zinc/22/94/67/605229467.db2.gz WJWLUAUXAGJJIW-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000827476068 605230769 /nfs/dbraw/zinc/23/07/69/605230769.db2.gz SMSYMHVCHNWIMM-SNVBAGLBSA-N -1 0 321.399 -0.226 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000828705207 605232067 /nfs/dbraw/zinc/23/20/67/605232067.db2.gz UKFWMXGQNGHBHU-QMMMGPOBSA-N -1 0 300.315 -0.121 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CC[C@@H](CNC(=O)[O-])C2)C1 ZINC000828704875 605232085 /nfs/dbraw/zinc/23/20/85/605232085.db2.gz PULVTJSSDQCAIL-QMMMGPOBSA-N -1 0 300.315 -0.264 20 0 DBADRM C[C@H](NC(=O)N1CC[C@@H](NC(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC000825145405 605232695 /nfs/dbraw/zinc/23/26/95/605232695.db2.gz ZLKBUJYRSXIAKS-HBNTYKKESA-N -1 0 300.359 -0.243 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827236863 605242313 /nfs/dbraw/zinc/24/23/13/605242313.db2.gz KXWCYRAVAYDZBY-VHSXEESVSA-N -1 0 301.343 -0.214 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)Oc1cccc(C(=O)NCC(N)=O)c1 ZINC000827547896 605243714 /nfs/dbraw/zinc/24/37/14/605243714.db2.gz KSHFLAJQGIROMU-JTQLQIEISA-N -1 0 323.305 -0.147 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCNC(=O)C1)C(=O)[O-] ZINC000833491002 605248531 /nfs/dbraw/zinc/24/85/31/605248531.db2.gz QLTHUGNRLAQYBJ-ZJUUUORDSA-N -1 0 313.354 -0.756 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)CCN1CCC(=O)[O-] ZINC000833618128 605254419 /nfs/dbraw/zinc/25/44/19/605254419.db2.gz KVJVKMBMSXNMQR-QWRGUYRKSA-N -1 0 318.395 -0.572 20 0 DBADRM COc1c(NC(=O)Cn2cc(C(=O)[O-])nn2)cccc1C(N)=O ZINC000833727518 605259003 /nfs/dbraw/zinc/25/90/03/605259003.db2.gz YUFRDYCOERQSCX-UHFFFAOYSA-N -1 0 319.277 -0.278 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000825055196 605267110 /nfs/dbraw/zinc/26/71/10/605267110.db2.gz JJKWWWLNTPBYAB-QWRGUYRKSA-N -1 0 311.342 -0.058 20 0 DBADRM CC1CCC(N2C[C@H](C(=O)N[C@H](CO)C(=O)[O-])CC2=O)CC1 ZINC000833602311 605268536 /nfs/dbraw/zinc/26/85/36/605268536.db2.gz BYXZABBKENIEDI-RUJICJSRSA-N -1 0 312.366 -0.025 20 0 DBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC000833761059 605276461 /nfs/dbraw/zinc/27/64/61/605276461.db2.gz XGJJRYLENZVSAX-MXWKQRLJSA-N -1 0 320.349 -0.252 20 0 DBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1=O ZINC000833761056 605276643 /nfs/dbraw/zinc/27/66/43/605276643.db2.gz XGJJRYLENZVSAX-AXFHLTTASA-N -1 0 320.349 -0.252 20 0 DBADRM CC(C)C(=O)Nc1nc(CC(=O)N[C@@H](CO)C(=O)[O-])cs1 ZINC000833467516 605280342 /nfs/dbraw/zinc/28/03/42/605280342.db2.gz XGDYTCQQXDTFLG-QMMMGPOBSA-N -1 0 315.351 -0.158 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC1CN(C(=O)[O-])C1 ZINC000823761246 605287394 /nfs/dbraw/zinc/28/73/94/605287394.db2.gz YSXOPKLBBQZWBP-QMMMGPOBSA-N -1 0 307.372 -0.571 20 0 DBADRM COCCC(=O)N1CCC(NC(=O)NCCNC(=O)[O-])CC1 ZINC000828930072 605290518 /nfs/dbraw/zinc/29/05/18/605290518.db2.gz NXKNWUDZBSYIHQ-UHFFFAOYSA-N -1 0 316.358 -0.419 20 0 DBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2CC(n3cncn3)C2)C1 ZINC000831984988 605291098 /nfs/dbraw/zinc/29/10/98/605291098.db2.gz FKDPCXDPNKYWEX-LLVKDONJSA-N -1 0 309.326 -0.180 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC000832049335 605291775 /nfs/dbraw/zinc/29/17/75/605291775.db2.gz FGSBVFJYIHIXKH-NEPJUHHUSA-N -1 0 313.354 -0.702 20 0 DBADRM C[C@@H](Cc1noc(CCNS(C)(=O)=O)n1)N(C)C(=O)[O-] ZINC000825048098 605300459 /nfs/dbraw/zinc/30/04/59/605300459.db2.gz NYKJNNBAYDGAHF-ZETCQYMHSA-N -1 0 306.344 -0.298 20 0 DBADRM C[C@H](Cc1noc(CCNS(C)(=O)=O)n1)N(C)C(=O)[O-] ZINC000825048096 605300835 /nfs/dbraw/zinc/30/08/35/605300835.db2.gz NYKJNNBAYDGAHF-SSDOTTSWSA-N -1 0 306.344 -0.298 20 0 DBADRM Cn1cnnc1CCNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000831047005 605306537 /nfs/dbraw/zinc/30/65/37/605306537.db2.gz XTBCFNFXRWPWDZ-SECBINFHSA-N -1 0 313.383 -0.041 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCN3C(=O)CC[C@H]3C2)C1 ZINC000834115038 605306774 /nfs/dbraw/zinc/30/67/74/605306774.db2.gz CLSXLIOUWGHTTD-WDEREUQCSA-N -1 0 311.338 -0.412 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2ccc(F)cn2)CC1 ZINC000834018978 605307504 /nfs/dbraw/zinc/30/75/04/605307504.db2.gz MJDCEXLXAVJEDM-UHFFFAOYSA-N -1 0 310.285 -0.227 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCCNC(=O)C1CCCC1 ZINC000834042607 605309393 /nfs/dbraw/zinc/30/93/93/605309393.db2.gz ZHCFZPBHYLTWGH-WDEREUQCSA-N -1 0 314.338 -0.051 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)CCOC1CN(C(=O)[O-])C1)C2 ZINC000833916833 605309725 /nfs/dbraw/zinc/30/97/25/605309725.db2.gz ZBJURLDLUSXWAJ-UHFFFAOYSA-N -1 0 309.326 -0.302 20 0 DBADRM O=C([O-])NC1(C(=O)OCC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000834154822 605309801 /nfs/dbraw/zinc/30/98/01/605309801.db2.gz UWPWKONLGOQSJP-SNVBAGLBSA-N -1 0 312.322 -0.033 20 0 DBADRM O=C([O-])NCCOCC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000834243550 605314924 /nfs/dbraw/zinc/31/49/24/605314924.db2.gz YOEDKOGAEDTDPN-JTQLQIEISA-N -1 0 318.326 -0.691 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)CCOC1CN(C(=O)[O-])C1 ZINC000833863059 605314952 /nfs/dbraw/zinc/31/49/52/605314952.db2.gz GFFVUSIKWMZQTR-UHFFFAOYSA-N -1 0 322.383 -0.352 20 0 DBADRM O=C([O-])N1CCCN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000834112034 605317237 /nfs/dbraw/zinc/31/72/37/605317237.db2.gz HFQVBMFNUWSOCD-UHFFFAOYSA-N -1 0 304.262 -0.043 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000834134965 605319320 /nfs/dbraw/zinc/31/93/20/605319320.db2.gz VPFLRZAHNKFWSQ-RITPCOANSA-N -1 0 320.252 -0.960 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)NCCCN1CCNC(=O)C1 ZINC000834129697 605328963 /nfs/dbraw/zinc/32/89/63/605328963.db2.gz KWPDRSGJTTZSLD-MRVPVSSYSA-N -1 0 322.312 -0.784 20 0 DBADRM CCC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1nnn[n-]1 ZINC000825242169 607748625 /nfs/dbraw/zinc/74/86/25/607748625.db2.gz KBOZKPRHZKSTIV-LURJTMIESA-N -1 0 302.302 -0.021 20 0 DBADRM NC(=O)COCCNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000831189520 605333171 /nfs/dbraw/zinc/33/31/71/605333171.db2.gz ADIPAUNMXVOIKC-QMMMGPOBSA-N -1 0 305.356 -0.910 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(Cc2ccco2)CC1 ZINC000834194057 605335931 /nfs/dbraw/zinc/33/59/31/605335931.db2.gz JVSGHBJIGBQNAZ-UHFFFAOYSA-N -1 0 324.337 -0.692 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccc(Cl)nc1 ZINC000834196280 605337908 /nfs/dbraw/zinc/33/79/08/605337908.db2.gz LQCPNVKRKHXEOD-UHFFFAOYSA-N -1 0 300.702 -0.265 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCc1cn2c(n1)CCCC2 ZINC000834196965 605339148 /nfs/dbraw/zinc/33/91/48/605339148.db2.gz SZTBAEZHSOPHQU-UHFFFAOYSA-N -1 0 323.353 -0.738 20 0 DBADRM O=C([O-])NC1CCN(CC(=O)NC[C@H](O)c2cccnc2)CC1 ZINC000832382288 605340436 /nfs/dbraw/zinc/34/04/36/605340436.db2.gz SUHINGKEMJTSCE-ZDUSSCGKSA-N -1 0 322.365 -0.037 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1cn2c(n1)CCCC2 ZINC000834197948 605340476 /nfs/dbraw/zinc/34/04/76/605340476.db2.gz DFDMZHQSGOZONA-UHFFFAOYSA-N -1 0 309.326 -0.781 20 0 DBADRM CNC(=O)NC(=O)COC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828552674 605341924 /nfs/dbraw/zinc/34/19/24/605341924.db2.gz WZKRGCLPDNACBX-MRVPVSSYSA-N -1 0 317.298 -0.856 20 0 DBADRM CCc1noc(CN2C(=O)N[C@]3(CCN(C(=O)[O-])C3)C2=O)n1 ZINC000827675968 605346717 /nfs/dbraw/zinc/34/67/17/605346717.db2.gz ZYYNOUUGILGXNP-LBPRGKRZSA-N -1 0 309.282 -0.194 20 0 DBADRM Cn1cc(C2CCN(C(=O)CNC(=O)CNC(=O)[O-])CC2)cn1 ZINC000833947717 605347442 /nfs/dbraw/zinc/34/74/42/605347442.db2.gz PKQTXCPOKXYDMX-UHFFFAOYSA-N -1 0 323.353 -0.490 20 0 DBADRM CCN(CC)C(=O)CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O ZINC000827025630 605348722 /nfs/dbraw/zinc/34/87/22/605348722.db2.gz VABHASLVJQKYBV-CYBMUJFWSA-N -1 0 312.326 -0.471 20 0 DBADRM Cc1noc(C)c1CCCNC(=O)CNC(=O)CNC(=O)[O-] ZINC000833930813 605350562 /nfs/dbraw/zinc/35/05/62/605350562.db2.gz JMIHUDUREONNKZ-UHFFFAOYSA-N -1 0 312.326 -0.276 20 0 DBADRM Cc1nn(C)cc1[C@H]1CCCN1C(=O)CNC(=O)CNC(=O)[O-] ZINC000833919245 605351507 /nfs/dbraw/zinc/35/15/07/605351507.db2.gz IEQJWAKXIKOOGS-LLVKDONJSA-N -1 0 323.353 -0.224 20 0 DBADRM Cc1noc(C)c1[C@@H](C)CNC(=O)CNC(=O)CNC(=O)[O-] ZINC000833926942 605351807 /nfs/dbraw/zinc/35/18/07/605351807.db2.gz AHZREBFRTLBUDG-ZETCQYMHSA-N -1 0 312.326 -0.105 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000834194341 605352253 /nfs/dbraw/zinc/35/22/53/605352253.db2.gz WBCMOZGLKQNVTP-NSHDSACASA-N -1 0 313.354 -0.355 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@H]1CCCn2ccnc21 ZINC000834196623 605352283 /nfs/dbraw/zinc/35/22/83/605352283.db2.gz OMMKSUIMQMSLEX-SECBINFHSA-N -1 0 309.326 -0.740 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCS[C@@H]2COCC[C@@H]21 ZINC000834194755 605352718 /nfs/dbraw/zinc/35/27/18/605352718.db2.gz OQTBOJTXAWFDDI-DTWKUNHWSA-N -1 0 317.367 -0.897 20 0 DBADRM O=C([O-])N1CC[C@@H](CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000834029018 605358570 /nfs/dbraw/zinc/35/85/70/605358570.db2.gz QTLITOYVQDRRGD-UWVGGRQHSA-N -1 0 319.383 -0.280 20 0 DBADRM O=C([O-])N1CC[C@@H](CNC(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000834029022 605358766 /nfs/dbraw/zinc/35/87/66/605358766.db2.gz QTLITOYVQDRRGD-VHSXEESVSA-N -1 0 319.383 -0.280 20 0 DBADRM CN(CCNS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000833872204 605367297 /nfs/dbraw/zinc/36/72/97/605367297.db2.gz HEMFPIPIQAWGQT-UHFFFAOYSA-N -1 0 323.371 -0.731 20 0 DBADRM COCCN(CC(=O)N(C)C[C@@H](O)C(F)(F)F)C(=O)[O-] ZINC000833883573 605368061 /nfs/dbraw/zinc/36/80/61/605368061.db2.gz MGQXOZLEKRIMEV-SSDOTTSWSA-N -1 0 302.249 -0.006 20 0 DBADRM COC(=O)CCN1CCN(C(=O)CN(C)C(=O)[O-])C[C@H]1C ZINC000833879518 605368225 /nfs/dbraw/zinc/36/82/25/605368225.db2.gz OYWUJSCGHVWVCN-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)NC[C@@H]2CCCN2C(=O)[O-])cn1 ZINC000833946263 605373180 /nfs/dbraw/zinc/37/31/80/605373180.db2.gz LDQYNRZJJIQMQF-QWRGUYRKSA-N -1 0 311.342 -0.105 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@@H](C)NC(=O)[O-])C[C@H]1C ZINC000833878153 605374536 /nfs/dbraw/zinc/37/45/36/605374536.db2.gz DXPBPULCWOFWAE-NXEZZACHSA-N -1 0 301.343 -0.262 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000834195356 605374850 /nfs/dbraw/zinc/37/48/50/605374850.db2.gz SHCCRJQJUIWCFR-SECBINFHSA-N -1 0 309.326 -0.501 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCn1cnc2ccccc21 ZINC000834196927 605376551 /nfs/dbraw/zinc/37/65/51/605376551.db2.gz RRCSXXGWPJMYAW-UHFFFAOYSA-N -1 0 319.321 -0.464 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CC(Oc2ccncc2)C1 ZINC000834192485 605378858 /nfs/dbraw/zinc/37/88/58/605378858.db2.gz HUROQTISFJAEJB-UHFFFAOYSA-N -1 0 308.294 -0.945 20 0 DBADRM CNC(=O)c1cccc(COC(=O)CNC(=O)CNC(=O)[O-])c1 ZINC000833877294 605381764 /nfs/dbraw/zinc/38/17/64/605381764.db2.gz ONXPAXBQCMXJGR-UHFFFAOYSA-N -1 0 323.305 -0.527 20 0 DBADRM CN(CCNC(=O)c1ccnc2c(C(N)=O)cnn21)C(=O)[O-] ZINC000833873663 605383465 /nfs/dbraw/zinc/38/34/65/605383465.db2.gz ZJPOIUXFOUJYQN-UHFFFAOYSA-N -1 0 306.282 -0.832 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OCc1noc2c1CCCC2 ZINC000834199853 605383468 /nfs/dbraw/zinc/38/34/68/605383468.db2.gz PYYRDKILNPOOEW-UHFFFAOYSA-N -1 0 311.294 -0.020 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)N1CCCCCC1 ZINC000834199093 605383663 /nfs/dbraw/zinc/38/36/63/605383663.db2.gz REKBXWSJIKEPKG-UHFFFAOYSA-N -1 0 315.326 -0.684 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCCC[C@@H]1c1ncon1 ZINC000834195998 605386744 /nfs/dbraw/zinc/38/67/44/605386744.db2.gz YSSWKHHKKAASQT-MRVPVSSYSA-N -1 0 311.298 -0.493 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@H](CO)c1ccccc1 ZINC000834195129 605388051 /nfs/dbraw/zinc/38/80/51/605388051.db2.gz ADKDUMRTJWEFAZ-LLVKDONJSA-N -1 0 309.322 -0.738 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@H](CO)c1ccccc1 ZINC000834195148 605388529 /nfs/dbraw/zinc/38/85/29/605388529.db2.gz ADKDUMRTJWEFAZ-NSHDSACASA-N -1 0 309.322 -0.738 20 0 DBADRM Cc1ccc([C@H](O)CNC(=O)CNC(=O)CNC(=O)[O-])cc1 ZINC000833905057 605388603 /nfs/dbraw/zinc/38/86/03/605388603.db2.gz OFAHVLMYDPHEKH-LLVKDONJSA-N -1 0 309.322 -0.472 20 0 DBADRM Cn1c(CNC(=O)[C@@H](CC(N)=O)NC(=O)[O-])nc2ccccc21 ZINC000833941310 605392225 /nfs/dbraw/zinc/39/22/25/605392225.db2.gz KTSIBIGUBRDDKU-SECBINFHSA-N -1 0 319.321 -0.299 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000834197252 605393625 /nfs/dbraw/zinc/39/36/25/605393625.db2.gz YKJNOKDDMFTYAZ-HNNXBMFYSA-N -1 0 321.333 -0.680 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCC(OCCCO)CC1 ZINC000831271426 605393679 /nfs/dbraw/zinc/39/36/79/605393679.db2.gz BZBYVBNLBQAVOT-PWSUYJOCSA-N -1 0 316.354 -0.510 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)NC[C@H]2CCN(C(=O)[O-])C2)O1 ZINC000833979350 605400540 /nfs/dbraw/zinc/40/05/40/605400540.db2.gz BJPOPJLIRYIBNY-BBBLOLIVSA-N -1 0 314.342 -0.682 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](C)CCNC(=O)[O-] ZINC000833877628 605402145 /nfs/dbraw/zinc/40/21/45/605402145.db2.gz AKOXKDMGBAZOMF-QMMMGPOBSA-N -1 0 311.360 -0.638 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NC[C@H](O)COCC1CC1 ZINC000831622635 605403548 /nfs/dbraw/zinc/40/35/48/605403548.db2.gz YYXCHMYUQKVENP-GARJFASQSA-N -1 0 302.327 -0.997 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NC[C@H](O)COCC1CC1 ZINC000831622637 605403556 /nfs/dbraw/zinc/40/35/56/605403556.db2.gz YYXCHMYUQKVENP-VWYCJHECSA-N -1 0 302.327 -0.997 20 0 DBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NC[C@H](O)CN1CCOCC1 ZINC000833840676 605406484 /nfs/dbraw/zinc/40/64/84/605406484.db2.gz MTBPRRRKNRNZNV-SMDDNHRTSA-N -1 0 317.386 -0.520 20 0 DBADRM COCCN(CC(=O)N1CCC2(COC(=O)N2)CC1)C(=O)[O-] ZINC000833885045 605406617 /nfs/dbraw/zinc/40/66/17/605406617.db2.gz ZKGVRIUWYVRJQS-UHFFFAOYSA-N -1 0 315.326 -0.286 20 0 DBADRM CS(=O)(=O)NCCC(=O)O[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000829688908 605406734 /nfs/dbraw/zinc/40/67/34/605406734.db2.gz XBICVHJSXVRKNJ-IUCAKERBSA-N -1 0 308.356 -0.095 20 0 DBADRM Cn1cnn(CN2CCC(OCCCNC(=O)[O-])CC2)c1=O ZINC000833957401 605407537 /nfs/dbraw/zinc/40/75/37/605407537.db2.gz TVUCBSWTNIHFMH-UHFFFAOYSA-N -1 0 313.358 -0.322 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000834173199 605408628 /nfs/dbraw/zinc/40/86/28/605408628.db2.gz PQADNVRUSARQSH-IJLUTSLNSA-N -1 0 315.370 -0.768 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cc(C(N)=O)ccc1F ZINC000833983131 605411409 /nfs/dbraw/zinc/41/14/09/605411409.db2.gz RWRJHBPSNRMCBO-QMMMGPOBSA-N -1 0 312.257 -0.625 20 0 DBADRM C[C@@H]1OCC[C@]1(C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000300648468 605411599 /nfs/dbraw/zinc/41/15/99/605411599.db2.gz ZSGBPWSRSBFYHN-KWQFWETISA-N -1 0 303.340 -0.187 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000823761267 605412743 /nfs/dbraw/zinc/41/27/43/605412743.db2.gz YXNDEEVQIRGFGO-IUCAKERBSA-N -1 0 321.399 -0.181 20 0 DBADRM COCCN(CCNC(=O)N[C@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC000833885150 605413758 /nfs/dbraw/zinc/41/37/58/605413758.db2.gz BCVAQRIDSYAUNL-VIFPVBQESA-N -1 0 302.331 -0.857 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000833983941 605416932 /nfs/dbraw/zinc/41/69/32/605416932.db2.gz LQIGXKQQMNLPSF-QMMMGPOBSA-N -1 0 319.281 -0.888 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCCCO1 ZINC000833894686 605420081 /nfs/dbraw/zinc/42/00/81/605420081.db2.gz MZDJOMFTLFAZNY-UWVGGRQHSA-N -1 0 322.383 -0.257 20 0 DBADRM NS(=O)(=O)CCCNC(=O)CC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833986321 605421565 /nfs/dbraw/zinc/42/15/65/605421565.db2.gz OGIIMYFJQMDGKL-SECBINFHSA-N -1 0 307.372 -0.439 20 0 DBADRM O=C(CNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])NCC1CC1 ZINC000834005586 605423454 /nfs/dbraw/zinc/42/34/54/605423454.db2.gz QWHBVFMGFVFLEH-LLVKDONJSA-N -1 0 313.354 -0.212 20 0 DBADRM CC(C)[C@@H](C(=O)NCCCNC(=O)[O-])N1CCCS1(=O)=O ZINC000824054880 605430331 /nfs/dbraw/zinc/43/03/31/605430331.db2.gz CRWGCJQIVSGQPN-JTQLQIEISA-N -1 0 321.399 -0.180 20 0 DBADRM NC(=O)N1CC[C@@H](NC(=O)C[C@@H]2CSCCN2C(=O)[O-])C1 ZINC000831199761 605435034 /nfs/dbraw/zinc/43/50/34/605435034.db2.gz IOGFPWRJBPSHEU-RKDXNWHRSA-N -1 0 316.383 -0.259 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCC(C(=O)NCCO)CC1 ZINC000826743042 605435203 /nfs/dbraw/zinc/43/52/03/605435203.db2.gz GKWBXVUQEDRFTE-NSHDSACASA-N -1 0 315.370 -0.230 20 0 DBADRM NC(=O)CN1CCN(C(=O)CC[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000833985535 605435592 /nfs/dbraw/zinc/43/55/92/605435592.db2.gz QTTAAVZRCQPGFR-NSHDSACASA-N -1 0 312.370 -0.462 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC[C@@H](OCCO)C2)C1 ZINC000831851817 605438715 /nfs/dbraw/zinc/43/87/15/605438715.db2.gz CNJYLOZXLGCRHB-SNVBAGLBSA-N -1 0 302.327 -0.635 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H](COC)C(N)=O ZINC000833683586 605440238 /nfs/dbraw/zinc/44/02/38/605440238.db2.gz VBBZFCCCQSYOJS-ZCFIWIBFSA-N -1 0 320.323 -0.681 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCC[C@H](OCCO)C2)C1 ZINC000832060260 605440920 /nfs/dbraw/zinc/44/09/20/605440920.db2.gz IDMNMGQVPUQNBD-NWDGAFQWSA-N -1 0 316.354 -0.245 20 0 DBADRM COC[C@@](C)(CCO)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000833881952 605442021 /nfs/dbraw/zinc/44/20/21/605442021.db2.gz FYIBLLABZRTUGB-ZWNOBZJWSA-N -1 0 304.343 -0.341 20 0 DBADRM COC[C@](C)(CCO)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000833881951 605442208 /nfs/dbraw/zinc/44/22/08/605442208.db2.gz FYIBLLABZRTUGB-MFKMUULPSA-N -1 0 304.343 -0.341 20 0 DBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)c2cnco2)C1 ZINC000834242128 605442622 /nfs/dbraw/zinc/44/26/22/605442622.db2.gz YERDJTWRVODVLU-VIFPVBQESA-N -1 0 310.310 -0.089 20 0 DBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC000832647762 605446023 /nfs/dbraw/zinc/44/60/23/605446023.db2.gz NDAYWBCXUUSHRY-MRVPVSSYSA-N -1 0 310.314 -0.959 20 0 DBADRM C[C@@]1(CCCC(=O)N2CCN(C(=O)[O-])CC2)NC(=O)NC1=O ZINC000825743510 605447118 /nfs/dbraw/zinc/44/71/18/605447118.db2.gz AEWGPQDOYCKDFV-ZDUSSCGKSA-N -1 0 312.326 -0.423 20 0 DBADRM O=C([O-])NC[C@H](C(=O)N[C@@H]1CCC(=O)NC1=O)c1ccccc1 ZINC000832404071 605448026 /nfs/dbraw/zinc/44/80/26/605448026.db2.gz XQVFHAZHUQZZBC-WDEREUQCSA-N -1 0 319.317 -0.041 20 0 DBADRM C[C@@]1(CCCC(=O)N[C@H]2CCN(C(=O)[O-])C2)NC(=O)NC1=O ZINC000825744972 605449239 /nfs/dbraw/zinc/44/92/39/605449239.db2.gz SHIKABHOKZZAIZ-SDBXPKJASA-N -1 0 312.326 -0.377 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000828656603 605454251 /nfs/dbraw/zinc/45/42/51/605454251.db2.gz USEJRYKCDZSILX-AEJSXWLSSA-N -1 0 300.311 -0.346 20 0 DBADRM O=C([O-])NC[C@H]1CCN(c2ccc(C(=O)NCCO)nn2)C1 ZINC000832596449 605458370 /nfs/dbraw/zinc/45/83/70/605458370.db2.gz VQAWXCQMLSPMOQ-SECBINFHSA-N -1 0 309.326 -0.707 20 0 DBADRM COCCN(CCNC(=O)NC[C@@]1(O)CCSC1)C(=O)[O-] ZINC000833886047 605458398 /nfs/dbraw/zinc/45/83/98/605458398.db2.gz OXQREXNPNOHRDU-LBPRGKRZSA-N -1 0 321.399 -0.220 20 0 DBADRM COCCN(CCNC(=O)NCc1nonc1C)C(=O)[O-] ZINC000833885985 605460638 /nfs/dbraw/zinc/46/06/38/605460638.db2.gz MUIHFXPGYKDBMM-UHFFFAOYSA-N -1 0 301.303 -0.196 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)CC[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000833985946 605467145 /nfs/dbraw/zinc/46/71/45/605467145.db2.gz BYXAATDGUILGSX-NXEZZACHSA-N -1 0 319.383 -0.344 20 0 DBADRM CN(C)S(=O)(=O)c1ccsc1C(=O)NC[C@H](O)C(=O)[O-] ZINC000833690546 605467662 /nfs/dbraw/zinc/46/76/62/605467662.db2.gz ASIWFUXYJUFHMV-LURJTMIESA-N -1 0 322.364 -0.826 20 0 DBADRM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC000833437964 605469042 /nfs/dbraw/zinc/46/90/42/605469042.db2.gz KCVUVXJCXHQLEV-SFYZADRCSA-N -1 0 320.367 -0.142 20 0 DBADRM O=C(CC[C@@H]1CCN(C(=O)[O-])C1)NCCN1C(=O)CNC1=O ZINC000833989819 605470292 /nfs/dbraw/zinc/47/02/92/605470292.db2.gz JLEKJAPFGAOHEB-SECBINFHSA-N -1 0 312.326 -0.566 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N[C@@H](C)CCNC(=O)[O-])n1C ZINC000833923214 605479265 /nfs/dbraw/zinc/47/92/65/605479265.db2.gz FMSLBWHTNQTFHS-VIFPVBQESA-N -1 0 312.374 -0.282 20 0 DBADRM O=C(CNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)NCC1CC1 ZINC000834004952 605483473 /nfs/dbraw/zinc/48/34/73/605483473.db2.gz JPCZCFIUAULKQL-LLVKDONJSA-N -1 0 313.354 -0.212 20 0 DBADRM C[C@H](C(=O)N1CCCC1)N1CC[NH+](C[C@](C)(O)C(=O)[O-])CC1 ZINC000833403003 605497655 /nfs/dbraw/zinc/49/76/55/605497655.db2.gz CCEBKYMJGWEBJO-DOMZBBRYSA-N -1 0 313.398 -0.550 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCCNS(C)(=O)=O ZINC000825824660 605505537 /nfs/dbraw/zinc/50/55/37/605505537.db2.gz UNYVPTKRRAZWAP-RKDXNWHRSA-N -1 0 322.387 -0.634 20 0 DBADRM Cc1nnc(COC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)o1 ZINC000833927449 605515282 /nfs/dbraw/zinc/51/52/82/605515282.db2.gz SUAVEHVXUBWKOL-JTQLQIEISA-N -1 0 314.298 -0.170 20 0 DBADRM NC(=O)CN1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000833985555 605517186 /nfs/dbraw/zinc/51/71/86/605517186.db2.gz RCFBPRIMBBBEGS-GHMZBOCLSA-N -1 0 312.370 -0.558 20 0 DBADRM O=C([O-])Nc1ccc(CN2CC[C@@]3(C2)NC(=O)NC3=O)cn1 ZINC000834260830 605537887 /nfs/dbraw/zinc/53/78/87/605537887.db2.gz YTRVYGSDCNOHEG-ZDUSSCGKSA-N -1 0 305.294 -0.045 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000780315052 605540769 /nfs/dbraw/zinc/54/07/69/605540769.db2.gz NDRHGBJUBPAMQQ-GXSJLCMTSA-N -1 0 324.337 -0.056 20 0 DBADRM Cc1nn(C)cc1CN(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000833919767 605541156 /nfs/dbraw/zinc/54/11/56/605541156.db2.gz OVAOBQHTBMSWFB-UHFFFAOYSA-N -1 0 309.370 -0.017 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000321686174 605542766 /nfs/dbraw/zinc/54/27/66/605542766.db2.gz UWCKCXWTWSKRMC-UHFFFAOYSA-N -1 0 323.353 -0.088 20 0 DBADRM O=C([O-])N(CC(=O)N1CCOC[C@H]1CCO)C[C@H]1CCCO1 ZINC000834069877 605545149 /nfs/dbraw/zinc/54/51/49/605545149.db2.gz ZIGLUGZAMUEMEX-VXGBXAGGSA-N -1 0 316.354 -0.245 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000828964303 605545634 /nfs/dbraw/zinc/54/56/34/605545634.db2.gz RQQCMSCENFOVIN-UWVGGRQHSA-N -1 0 309.388 -0.070 20 0 DBADRM O=C([O-])NC1(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CCCCC1 ZINC000834152793 605546965 /nfs/dbraw/zinc/54/69/65/605546965.db2.gz XSCKWSMEPKSROO-SECBINFHSA-N -1 0 324.337 -0.281 20 0 DBADRM COCC1(O)CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000833881908 605548080 /nfs/dbraw/zinc/54/80/80/605548080.db2.gz KCWUUFWHEFIOED-UWVGGRQHSA-N -1 0 302.327 -0.901 20 0 DBADRM O=C([O-])N1CC[C@@H](N(C2CC2)S(=O)(=O)N2CCOCC2)C1 ZINC000831942593 605548317 /nfs/dbraw/zinc/54/83/17/605548317.db2.gz UCDKCOKOISKYQN-LLVKDONJSA-N -1 0 319.383 -0.220 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)OCCN1CCCS1(=O)=O ZINC000824888278 605549509 /nfs/dbraw/zinc/54/95/09/605549509.db2.gz IZJFLMRDLXOLLB-SECBINFHSA-N -1 0 308.356 -0.189 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)OCCN1CCCS1(=O)=O ZINC000823972522 605549672 /nfs/dbraw/zinc/54/96/72/605549672.db2.gz BFQFCLUPSDXBJO-UHFFFAOYSA-N -1 0 308.356 -0.141 20 0 DBADRM Cn1cnc(CNC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)n1 ZINC000833954948 605557290 /nfs/dbraw/zinc/55/72/90/605557290.db2.gz YQPOSBHSJIFLEJ-UHFFFAOYSA-N -1 0 310.358 -0.495 20 0 DBADRM NC(=O)c1cnn2cc(CN3CC[C@H](NC(=O)[O-])C3)cnc12 ZINC000833987054 605568241 /nfs/dbraw/zinc/56/82/41/605568241.db2.gz WPGKIHMUXUMPFZ-VIFPVBQESA-N -1 0 304.310 -0.330 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC3(COC(=O)N3)CC2)C1 ZINC000834290152 605576579 /nfs/dbraw/zinc/57/65/79/605576579.db2.gz PZFFKEKXWAPZEK-SECBINFHSA-N -1 0 313.310 -0.534 20 0 DBADRM CC(C)N(CC(N)=O)C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000824329353 605579448 /nfs/dbraw/zinc/57/94/48/605579448.db2.gz DSMYQRKTYGTFRE-UHFFFAOYSA-N -1 0 300.359 -0.559 20 0 DBADRM CN(CC(=O)NC1CC1)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828103072 605588939 /nfs/dbraw/zinc/58/89/39/605588939.db2.gz YBNVACCPYULKAO-LLVKDONJSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(CC(=O)NC1CC1)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000828103073 605589234 /nfs/dbraw/zinc/58/92/34/605589234.db2.gz YBNVACCPYULKAO-NSHDSACASA-N -1 0 313.354 -0.118 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000824287405 605590805 /nfs/dbraw/zinc/59/08/05/605590805.db2.gz MOWUEVSSMQCGCB-JTQLQIEISA-N -1 0 321.399 -0.228 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000833984421 605606509 /nfs/dbraw/zinc/60/65/09/605606509.db2.gz PLTULJDUHJEKQE-JTQLQIEISA-N -1 0 320.305 -0.577 20 0 DBADRM CN(CC(C)(CO)CO)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000689248889 605606887 /nfs/dbraw/zinc/60/68/87/605606887.db2.gz OPNHEVWSLXXUTD-UHFFFAOYSA-N -1 0 306.340 -0.676 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000167701028 605612663 /nfs/dbraw/zinc/61/26/63/605612663.db2.gz VDEAOFHJLXCARD-RKDXNWHRSA-N -1 0 303.340 -0.641 20 0 DBADRM O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)NCC(=O)NCCO ZINC000834004954 605623382 /nfs/dbraw/zinc/62/33/82/605623382.db2.gz JQLJFBCAYMRZJK-CYBMUJFWSA-N -1 0 321.333 -0.512 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@H](CO)Cc1ccco1 ZINC000831615752 605624430 /nfs/dbraw/zinc/62/44/30/605624430.db2.gz DFJGEYRUHPWSNS-PWSUYJOCSA-N -1 0 312.322 -0.074 20 0 DBADRM O=C([O-])N1CCC[C@H](Nc2ccc(C(=O)NCCO)nn2)C1 ZINC000831693113 605624664 /nfs/dbraw/zinc/62/46/64/605624664.db2.gz HZTNFKRPOFPSBV-VIFPVBQESA-N -1 0 309.326 -0.247 20 0 DBADRM O=C([O-])NC[C@@H](C(=O)NCC(=O)NCCO)c1ccccc1 ZINC000834210763 605625141 /nfs/dbraw/zinc/62/51/41/605625141.db2.gz UAGFMPFDNRDLHO-LLVKDONJSA-N -1 0 309.322 -0.738 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N(CCO)Cc1ccccc1 ZINC000833981961 605626508 /nfs/dbraw/zinc/62/65/08/605626508.db2.gz YPARCNQJVUPYAW-NSHDSACASA-N -1 0 309.322 -0.481 20 0 DBADRM O=C(C[C@@H]1CSCCN1C(=O)[O-])N[C@@H]1CCCNC1=O ZINC000831408347 605631107 /nfs/dbraw/zinc/63/11/07/605631107.db2.gz MRIAFRVILHRQFV-RKDXNWHRSA-N -1 0 301.368 -0.133 20 0 DBADRM CN1C[C@@H](NC(=O)C[C@H]2CSCCN2C(=O)[O-])CC1=O ZINC000828451712 605634851 /nfs/dbraw/zinc/63/48/51/605634851.db2.gz IGYJSQUCRHLGQJ-IUCAKERBSA-N -1 0 301.368 -0.181 20 0 DBADRM Cn1nccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000833964353 605635350 /nfs/dbraw/zinc/63/53/50/605635350.db2.gz XNHBFWNMQJMEKW-RKDXNWHRSA-N -1 0 309.326 -0.089 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)C1 ZINC000833554324 605637009 /nfs/dbraw/zinc/63/70/09/605637009.db2.gz VAJIOFBCTYTDLG-CQSZACIVSA-N -1 0 320.305 -0.558 20 0 DBADRM NC(=O)Cn1cc(NC(=O)CN2CCC(NC(=O)[O-])CC2)cn1 ZINC000831200015 605638079 /nfs/dbraw/zinc/63/80/79/605638079.db2.gz QCRHROVXHXMJID-UHFFFAOYSA-N -1 0 324.341 -0.961 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000828342038 605641180 /nfs/dbraw/zinc/64/11/80/605641180.db2.gz ZMMMPGITVIAXCQ-VIFPVBQESA-N -1 0 324.424 -0.025 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)OCCN1CCOCC1=O ZINC000833988064 605642283 /nfs/dbraw/zinc/64/22/83/605642283.db2.gz LRBFUZNKPBEWAB-JTQLQIEISA-N -1 0 316.310 -0.843 20 0 DBADRM CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)c1cnc(C(=O)[O-])cn1 ZINC000833503304 605642942 /nfs/dbraw/zinc/64/29/42/605642942.db2.gz UBVLJLVTYXQFMU-ZETCQYMHSA-N -1 0 324.293 -0.046 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000833805496 605644257 /nfs/dbraw/zinc/64/42/57/605644257.db2.gz DTKMMTCFHSBRMV-SSDOTTSWSA-N -1 0 316.339 -0.638 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)[C@H]1CCCCO1 ZINC000828091510 605648159 /nfs/dbraw/zinc/64/81/59/605648159.db2.gz ZJRMBRKIJKJFDC-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM CCc1ncc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cn1 ZINC000833867114 605655438 /nfs/dbraw/zinc/65/54/38/605655438.db2.gz QYBSWPSSGKPQQV-UHFFFAOYSA-N -1 0 307.310 -0.200 20 0 DBADRM CN1CC[C@H](NC(=O)C[C@H]2CSCCN2C(=O)[O-])C1=O ZINC000828466123 605658710 /nfs/dbraw/zinc/65/87/10/605658710.db2.gz LDEIXSXMNSBZBX-IUCAKERBSA-N -1 0 301.368 -0.181 20 0 DBADRM O=C([O-])N1CCCC[C@@H](NC(=O)NCC2(CO)COC2)C1 ZINC000834022533 605659380 /nfs/dbraw/zinc/65/93/80/605659380.db2.gz OVPQWYMOBQQULA-SNVBAGLBSA-N -1 0 301.343 -0.173 20 0 DBADRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)NCC1(CO)COC1 ZINC000834213528 605659709 /nfs/dbraw/zinc/65/97/09/605659709.db2.gz YMLFSWSBGPCBOC-NXEZZACHSA-N -1 0 301.343 -0.269 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC([C@@H](O)C(=O)OC)CC1 ZINC000833863668 605662247 /nfs/dbraw/zinc/66/22/47/605662247.db2.gz BTUBDDYDPUKACK-VHSXEESVSA-N -1 0 302.327 -0.195 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCOc1ncccc1F ZINC000834041940 605662671 /nfs/dbraw/zinc/66/26/71/605662671.db2.gz CGWOMMHTNWANNH-PSASIEDQSA-N -1 0 313.285 -0.171 20 0 DBADRM O=C([O-])NC1(C(=O)NCC2(CO)COC2)Cc2ccccc2C1 ZINC000834150733 605663422 /nfs/dbraw/zinc/66/34/22/605663422.db2.gz IAFQZILURUAIDD-UHFFFAOYSA-N -1 0 320.345 -0.083 20 0 DBADRM O=C([O-])NCC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000834204015 605663803 /nfs/dbraw/zinc/66/38/03/605663803.db2.gz RSYWBIMVAQKTLG-VIFPVBQESA-N -1 0 306.278 -0.357 20 0 DBADRM O=C([O-])NC1CCC(C(=O)NC[C@@H]2CN3CCN2CC3)CC1 ZINC000834169779 605663860 /nfs/dbraw/zinc/66/38/60/605663860.db2.gz LXNGSZJEQWVRRO-WXRRBKDZSA-N -1 0 310.398 -0.071 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000833983756 605666211 /nfs/dbraw/zinc/66/62/11/605666211.db2.gz JSSINOONIFINSA-MRVPVSSYSA-N -1 0 307.266 -0.281 20 0 DBADRM NC(=O)[C@@H]1COCCN1C(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000833979205 605668786 /nfs/dbraw/zinc/66/87/86/605668786.db2.gz DBPINQMFMYFTDN-BDAKNGLRSA-N -1 0 317.367 -0.815 20 0 DBADRM NC(=O)[C@H]1COCCN1C(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000833979208 605668889 /nfs/dbraw/zinc/66/88/89/605668889.db2.gz DBPINQMFMYFTDN-DTWKUNHWSA-N -1 0 317.367 -0.815 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CCN2CCCS2(=O)=O)CCO1 ZINC000833821033 605669131 /nfs/dbraw/zinc/66/91/31/605669131.db2.gz XKZUQYSGYVPBBI-GHMZBOCLSA-N -1 0 321.399 -0.621 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cnn(CC(F)F)c1 ZINC000833982975 605669628 /nfs/dbraw/zinc/66/96/28/605669628.db2.gz DGISDSIIXVETTI-ZCFIWIBFSA-N -1 0 305.241 -0.402 20 0 DBADRM Cc1noc(CCNC(=O)CN2CCC(NC(=O)[O-])CC2)n1 ZINC000830925234 605677716 /nfs/dbraw/zinc/67/77/16/605677716.db2.gz UAPXTIKVVAVZPK-UHFFFAOYSA-N -1 0 311.342 -0.231 20 0 DBADRM CCS(=O)(=O)NCCN1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC000833666229 605679984 /nfs/dbraw/zinc/67/99/84/605679984.db2.gz YBQXBIMXZOZVFF-UWVGGRQHSA-N -1 0 322.383 -0.736 20 0 DBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN([C@@H]3CCOC3)C2)CC1 ZINC000834115236 605692822 /nfs/dbraw/zinc/69/28/22/605692822.db2.gz ACHYXUHTHWCCKN-SNVBAGLBSA-N -1 0 319.383 -0.915 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCCN(CC(N)=O)CC1 ZINC000823837588 605698495 /nfs/dbraw/zinc/69/84/95/605698495.db2.gz BPWNIQNXVWTINH-LLVKDONJSA-N -1 0 314.386 -0.312 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC000740389967 605702801 /nfs/dbraw/zinc/70/28/01/605702801.db2.gz HTURDDXWMQUFLJ-VIFPVBQESA-N -1 0 320.309 -0.850 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000736418870 605716155 /nfs/dbraw/zinc/71/61/55/605716155.db2.gz CNLOLGBFMLZRKJ-BDAKNGLRSA-N -1 0 307.372 -0.442 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828656517 605717863 /nfs/dbraw/zinc/71/78/63/605717863.db2.gz SSUCZDNGPHMMOF-VHSXEESVSA-N -1 0 300.311 -0.081 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000829017637 605730030 /nfs/dbraw/zinc/73/00/30/605730030.db2.gz CBHOLSFFBMKUMD-ZJUUUORDSA-N -1 0 322.383 -0.305 20 0 DBADRM NC(=O)C1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000833981352 605731456 /nfs/dbraw/zinc/73/14/56/605731456.db2.gz UGDHCRNTVXCCOA-SNVBAGLBSA-N -1 0 319.383 -0.344 20 0 DBADRM CCn1c(C)nnc1CON=C(N)[C@H]1COCCN1C(=O)[O-] ZINC000833867551 605732274 /nfs/dbraw/zinc/73/22/74/605732274.db2.gz PUUFDJOPBIMQDX-SECBINFHSA-N -1 0 312.330 -0.016 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NCCOC[C@H]2CCOC2)C1 ZINC000834040242 605735019 /nfs/dbraw/zinc/73/50/19/605735019.db2.gz ADLRFZLAHXVCKJ-JTQLQIEISA-N -1 0 301.343 -0.052 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NC[C@@H](O)C2CCOCC2)C1 ZINC000834033270 605738538 /nfs/dbraw/zinc/73/85/38/605738538.db2.gz HKJHLRMCLYEAPU-LLVKDONJSA-N -1 0 301.343 -0.317 20 0 DBADRM O=C(CSc1nnnn1C1CC1)NCC1CN(C(=O)[O-])C1 ZINC000834012585 605753206 /nfs/dbraw/zinc/75/32/06/605753206.db2.gz FCTZIMATPBDGJK-UHFFFAOYSA-N -1 0 312.355 -0.174 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000833984141 605753851 /nfs/dbraw/zinc/75/38/51/605753851.db2.gz NBPJWVYXXNYETR-MRVPVSSYSA-N -1 0 322.277 -0.532 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CCNS(C)(=O)=O ZINC000825810717 605754110 /nfs/dbraw/zinc/75/41/10/605754110.db2.gz XDUANQSQDYGFII-BDAKNGLRSA-N -1 0 307.372 -0.427 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)NCC1CN(C(=O)[O-])C1 ZINC000833934170 605759107 /nfs/dbraw/zinc/75/91/07/605759107.db2.gz BDRFJFOXXGWVSF-UHFFFAOYSA-N -1 0 317.323 -0.425 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000834041448 605760157 /nfs/dbraw/zinc/76/01/57/605760157.db2.gz LZLCIFAMQAQJPS-VIFPVBQESA-N -1 0 324.341 -0.419 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000834041446 605760416 /nfs/dbraw/zinc/76/04/16/605760416.db2.gz LZLCIFAMQAQJPS-SECBINFHSA-N -1 0 324.341 -0.419 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)NCCNC(=O)c1ccn[nH]1)C1CC1 ZINC000834205873 605760863 /nfs/dbraw/zinc/76/08/63/605760863.db2.gz NUWCZIYIDVEHLU-JTQLQIEISA-N -1 0 324.341 -0.515 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCC[C@H]1CCCCO1 ZINC000834006766 605763793 /nfs/dbraw/zinc/76/37/93/605763793.db2.gz YYPFWUHRJOQHGB-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])N1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000834041371 605764549 /nfs/dbraw/zinc/76/45/49/605764549.db2.gz JTRCSUBBGJPYNI-UHFFFAOYSA-N -1 0 310.314 -0.855 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CNC(=O)C2CC2)[C@@H](C(=O)[O-])C1 ZINC000833711387 605769024 /nfs/dbraw/zinc/76/90/24/605769024.db2.gz WUCAVSULJJMBAR-NXEZZACHSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2ccccc2=O)[C@H](C(=O)[O-])C1 ZINC000833710368 605772353 /nfs/dbraw/zinc/77/23/53/605772353.db2.gz PGXKTASRJQPCCO-MNOVXSKESA-N -1 0 322.317 -0.287 20 0 DBADRM COC(=O)CCNC(=O)CN1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000833879209 605772547 /nfs/dbraw/zinc/77/25/47/605772547.db2.gz LSHYRJRWTICYMU-ZJUUUORDSA-N -1 0 301.343 -0.214 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NC[C@@H](O)COCC2CC2)C1 ZINC000834017851 605772755 /nfs/dbraw/zinc/77/27/55/605772755.db2.gz DTGANLGMBNIWPZ-LLVKDONJSA-N -1 0 301.343 -0.317 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000833981426 605775273 /nfs/dbraw/zinc/77/52/73/605775273.db2.gz DYMVPAOQBXBOFA-JFGNBEQYSA-N -1 0 307.306 -0.728 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC000825187069 605776065 /nfs/dbraw/zinc/77/60/65/605776065.db2.gz XXVJHVMFENFFOT-VIFPVBQESA-N -1 0 309.322 -0.068 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N(CCO)Cc2cccnc2)C1 ZINC000834116492 605777233 /nfs/dbraw/zinc/77/72/33/605777233.db2.gz KYVSILUHHWOASK-GFCCVEGCSA-N -1 0 309.322 -0.219 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNS(=O)(=O)CC2CCC2)CC1 ZINC000834114549 605778266 /nfs/dbraw/zinc/77/82/66/605778266.db2.gz CYUAEQVXMPAROL-UHFFFAOYSA-N -1 0 319.383 -0.472 20 0 DBADRM O=C([O-])N1CC(CNC(=O)C(=O)Nc2ccnn2CC2CC2)C1 ZINC000834029945 605781276 /nfs/dbraw/zinc/78/12/76/605781276.db2.gz SKIOKMWQWYHUBZ-UHFFFAOYSA-N -1 0 321.337 -0.042 20 0 DBADRM Cn1nnnc1CCNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000833961496 605786218 /nfs/dbraw/zinc/78/62/18/605786218.db2.gz UDVYHSRGTJBYKJ-QMMMGPOBSA-N -1 0 314.371 -0.646 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000823843691 605787434 /nfs/dbraw/zinc/78/74/34/605787434.db2.gz NRCBVAFZALOGOO-DJLDLDEBSA-N -1 0 301.343 -0.182 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NCCN1C(=O)CSC1=O ZINC000833806361 605790539 /nfs/dbraw/zinc/79/05/39/605790539.db2.gz DSOSRLATYDHIFY-ZETCQYMHSA-N -1 0 318.355 -0.115 20 0 DBADRM Cn1cnnc1COC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000833958217 605791795 /nfs/dbraw/zinc/79/17/95/605791795.db2.gz WBBUGDQDMNAKMT-UHFFFAOYSA-N -1 0 311.342 -0.068 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000833807176 605792138 /nfs/dbraw/zinc/79/21/38/605792138.db2.gz HXXXFYWVGLKYSE-QMMMGPOBSA-N -1 0 324.403 -0.483 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NCCCN1C(=O)CNC1=O ZINC000833809358 605792497 /nfs/dbraw/zinc/79/24/97/605792497.db2.gz UAWHMEKKQGQZBO-MRVPVSSYSA-N -1 0 315.330 -0.869 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000833810381 605796817 /nfs/dbraw/zinc/79/68/17/605796817.db2.gz YXJOCSSZRILCCA-YIZRAAEISA-N -1 0 302.331 -0.778 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NC[C@H]1CCCS1(=O)=O ZINC000833809781 605796829 /nfs/dbraw/zinc/79/68/29/605796829.db2.gz VZSADNZTKCWLRP-RKDXNWHRSA-N -1 0 307.372 -0.234 20 0 DBADRM Cn1nnnc1CCNC(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000833960320 605797076 /nfs/dbraw/zinc/79/70/76/605797076.db2.gz IFNLCMXVHDDEPQ-SECBINFHSA-N -1 0 311.346 -0.416 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NC[C@@H](O)C1CCOCC1 ZINC000833806338 605797547 /nfs/dbraw/zinc/79/75/47/605797547.db2.gz DEHSQESCZJKSOI-MWLCHTKSSA-N -1 0 303.359 -0.023 20 0 DBADRM COCCc1cc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])n(C)n1 ZINC000829024109 605803932 /nfs/dbraw/zinc/80/39/32/605803932.db2.gz KBOSCGPMCNLFIS-UWVGGRQHSA-N -1 0 312.326 -0.339 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CCCOC(=O)NC(N)=O)CCO1 ZINC000833820858 605805304 /nfs/dbraw/zinc/80/53/04/605805304.db2.gz UYBHHIOJIAXUCV-DTWKUNHWSA-N -1 0 318.330 -0.462 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC000833805228 605805660 /nfs/dbraw/zinc/80/56/60/605805660.db2.gz AHIXRNCKNNMBPO-LURJTMIESA-N -1 0 305.312 -0.440 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)CCC(=O)N1CCOCC1 ZINC000833810921 605806599 /nfs/dbraw/zinc/80/65/99/605806599.db2.gz VFKPSZJZJDEMHK-JTQLQIEISA-N -1 0 301.343 -0.355 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000833807682 605808232 /nfs/dbraw/zinc/80/82/32/605808232.db2.gz WMIBOVADURBXED-QMMMGPOBSA-N -1 0 315.351 -0.033 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCOC2(CCOCC2)C1 ZINC000831274993 605810658 /nfs/dbraw/zinc/81/06/58/605810658.db2.gz YGIVIOJWLKADDA-WDEREUQCSA-N -1 0 314.338 -0.492 20 0 DBADRM CCCCCN(CC(N)=O)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000833853668 605811878 /nfs/dbraw/zinc/81/18/78/605811878.db2.gz RDYTXSBBPNWVAC-SNVBAGLBSA-N -1 0 301.343 -0.131 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccc2c1OCCC2=O ZINC000834198413 605813150 /nfs/dbraw/zinc/81/31/50/605813150.db2.gz ISZCROFODPFMCU-UHFFFAOYSA-N -1 0 321.289 -0.026 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)CCCN1C(=O)CN(C)C1=O ZINC000833808295 605816697 /nfs/dbraw/zinc/81/66/97/605816697.db2.gz BSENMUIRJQHTIK-VIFPVBQESA-N -1 0 314.342 -0.320 20 0 DBADRM O=C([O-])N(CC(=O)NCCNC(=O)c1ccn[nH]1)CC1CC1 ZINC000834007905 605818275 /nfs/dbraw/zinc/81/82/75/605818275.db2.gz YSOSKYDYESHJGH-UHFFFAOYSA-N -1 0 309.326 -0.354 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000834010527 605818277 /nfs/dbraw/zinc/81/82/77/605818277.db2.gz OVXHEBZXFMLMSU-VIFPVBQESA-N -1 0 311.338 -0.508 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000834129684 605818861 /nfs/dbraw/zinc/81/88/61/605818861.db2.gz KSPJMMOMQZGNDP-SSDOTTSWSA-N -1 0 319.268 -0.453 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834169900 605818866 /nfs/dbraw/zinc/81/88/66/605818866.db2.gz MEPPKMRIMPFXNW-DTWKUNHWSA-N -1 0 309.326 -0.308 20 0 DBADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834169896 605818914 /nfs/dbraw/zinc/81/89/14/605818914.db2.gz MEPPKMRIMPFXNW-BDAKNGLRSA-N -1 0 309.326 -0.308 20 0 DBADRM O=C([O-])NC1(CC(=O)NCCNC(=O)c2ccn[nH]2)CCC1 ZINC000834156153 605818946 /nfs/dbraw/zinc/81/89/46/605818946.db2.gz XHSGCGUVABJLAY-UHFFFAOYSA-N -1 0 309.326 -0.164 20 0 DBADRM NC(=O)NC(=O)COC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000831207976 605820277 /nfs/dbraw/zinc/82/02/77/605820277.db2.gz ICHUSJLMEXWZBH-LURJTMIESA-N -1 0 305.312 -0.790 20 0 DBADRM Cc1nnc2n1C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)[O-])C1)CC2 ZINC000833927966 605822150 /nfs/dbraw/zinc/82/21/50/605822150.db2.gz PSMTUHHUXAPBLU-VHSXEESVSA-N -1 0 308.342 -0.047 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)NC[C@H]1CCCS1(=O)=O)C1CC1 ZINC000834143283 605823983 /nfs/dbraw/zinc/82/39/83/605823983.db2.gz FONZEJBXYJXTAK-NXEZZACHSA-N -1 0 319.383 -0.091 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000834034255 605824377 /nfs/dbraw/zinc/82/43/77/605824377.db2.gz RJXGVNWIVOUNGG-SECBINFHSA-N -1 0 310.354 -0.094 20 0 DBADRM Cc1nnc2n1C[C@@H](NC(=O)N1CC[C@H](NC(=O)[O-])C1)CC2 ZINC000833929160 605824539 /nfs/dbraw/zinc/82/45/39/605824539.db2.gz XGJNXBHNTJWXRH-UWVGGRQHSA-N -1 0 308.342 -0.047 20 0 DBADRM O=C([O-])NC1CCN(CC(=O)NC[C@@H](O)c2ccncc2)CC1 ZINC000834189990 605826153 /nfs/dbraw/zinc/82/61/53/605826153.db2.gz PMQMQTRYGNAOOI-CYBMUJFWSA-N -1 0 322.365 -0.037 20 0 DBADRM O=C([O-])NC1CCN(CC(=O)NC[C@H](O)c2ccncc2)CC1 ZINC000834189991 605826484 /nfs/dbraw/zinc/82/64/84/605826484.db2.gz PMQMQTRYGNAOOI-ZDUSSCGKSA-N -1 0 322.365 -0.037 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000833807126 605827070 /nfs/dbraw/zinc/82/70/70/605827070.db2.gz RQXIXETZOUHPQL-SSDOTTSWSA-N -1 0 320.305 -0.150 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)CCSc1nnnn1C ZINC000833810823 605828779 /nfs/dbraw/zinc/82/87/79/605828779.db2.gz SULOLRAPZUNCEI-SSDOTTSWSA-N -1 0 302.360 -0.288 20 0 DBADRM O=C([O-])NC[C@H]1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834227052 605828954 /nfs/dbraw/zinc/82/89/54/605828954.db2.gz YJCRKYOPAJEAJU-SECBINFHSA-N -1 0 324.341 -0.561 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC(OCCO)CC2)C1 ZINC000834117582 605835750 /nfs/dbraw/zinc/83/57/50/605835750.db2.gz RUWVHHZNCMHHBC-NSHDSACASA-N -1 0 302.327 -0.635 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)NC[C@H](NC(=O)[O-])C2CC2)cn1 ZINC000833948302 605848131 /nfs/dbraw/zinc/84/81/31/605848131.db2.gz XTHJBGHOTGDUMX-QWRGUYRKSA-N -1 0 311.342 -0.201 20 0 DBADRM CCC(CC)(CNC(=O)[O-])C(=O)N1CCN(CC(N)=O)CC1 ZINC000833841700 605855392 /nfs/dbraw/zinc/85/53/92/605855392.db2.gz LIXNVXMKKJQNQT-UHFFFAOYSA-N -1 0 314.386 -0.310 20 0 DBADRM O=C([O-])N(CC(=O)OCC1(CO)COC1)C[C@@H]1CCCO1 ZINC000834006965 605857468 /nfs/dbraw/zinc/85/74/68/605857468.db2.gz HLCGAQUTHLZVMA-JTQLQIEISA-N -1 0 303.311 -0.303 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NCCN2CCNC(=O)C2)C1 ZINC000834168679 605860693 /nfs/dbraw/zinc/86/06/93/605860693.db2.gz PXNFGBXQUVDLLX-MNOVXSKESA-N -1 0 312.370 -0.639 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)CN1CCCS1(=O)=O)C1CC1 ZINC000834139433 605862766 /nfs/dbraw/zinc/86/27/66/605862766.db2.gz GMWJVRGHVCNDAL-SECBINFHSA-N -1 0 305.356 -0.816 20 0 DBADRM O=C([O-])Nc1cccc(CC(=O)NCCN2CCNC(=O)C2)c1 ZINC000834267158 605862820 /nfs/dbraw/zinc/86/28/20/605862820.db2.gz OMCQWXPKJAYFBE-UHFFFAOYSA-N -1 0 320.349 -0.133 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1COCCN1C(C)=O)C(=O)[O-] ZINC000833858313 605872860 /nfs/dbraw/zinc/87/28/60/605872860.db2.gz GZMXVHIVZQOCGI-NSHDSACASA-N -1 0 301.343 -0.260 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)C1CCS(=O)(=O)CC1)C1CC1 ZINC000834140151 605874131 /nfs/dbraw/zinc/87/41/31/605874131.db2.gz LSVXEUIQUZTCAL-SNVBAGLBSA-N -1 0 304.368 -0.026 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CCCNC(=O)[O-] ZINC000831245329 605878826 /nfs/dbraw/zinc/87/88/26/605878826.db2.gz HYFOIMDLRDLCSH-VIFPVBQESA-N -1 0 307.372 -0.296 20 0 DBADRM O=C([O-])NC1CCC(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000834167619 605879091 /nfs/dbraw/zinc/87/90/91/605879091.db2.gz CQBPZGBAKOBMGJ-UHFFFAOYSA-N -1 0 312.370 -0.639 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000831244867 605881278 /nfs/dbraw/zinc/88/12/78/605881278.db2.gz DCMVWVKJLAHFMB-ZJUUUORDSA-N -1 0 319.383 -0.344 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCCN1C(=O)CC1CN(C(=O)[O-])C1 ZINC000831246603 605881372 /nfs/dbraw/zinc/88/13/72/605881372.db2.gz RCLOWUCDDIVDKT-SNVBAGLBSA-N -1 0 319.383 -0.344 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000833397539 605882638 /nfs/dbraw/zinc/88/26/38/605882638.db2.gz RSVZUHGCNCHRDP-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM Cc1nc(C(=O)NCCN2CCN(C(=O)[O-])CC2)c(=O)[nH]c1C ZINC000833913290 605886314 /nfs/dbraw/zinc/88/63/14/605886314.db2.gz YCCPTOUYEVFZDS-UHFFFAOYSA-N -1 0 323.353 -0.176 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000819744361 605886848 /nfs/dbraw/zinc/88/68/48/605886848.db2.gz JNKQAATZYWYOAM-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=S)NCCN2CCOCC2)C1 ZINC000740593829 605897418 /nfs/dbraw/zinc/89/74/18/605897418.db2.gz NTOYEQXBBPHTKT-JTQLQIEISA-N -1 0 302.400 -0.465 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)N[C@H](CNC(=O)[O-])C2CC2)CCO1 ZINC000833879059 605911173 /nfs/dbraw/zinc/91/11/73/605911173.db2.gz WOZQTCKFAMOVJS-ZJUUUORDSA-N -1 0 314.342 -0.811 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NC[C@H](NC(=O)[O-])C2CC2)CCO1 ZINC000833879112 605911206 /nfs/dbraw/zinc/91/12/06/605911206.db2.gz WVROSJUJYOMWCX-VHSXEESVSA-N -1 0 314.342 -0.811 20 0 DBADRM C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@H](NC(=O)[O-])C1 ZINC000738614629 605912916 /nfs/dbraw/zinc/91/29/16/605912916.db2.gz MNQNFGSYDHNEEX-KOLCDFICSA-N -1 0 312.370 -0.559 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@H](NC(=O)[O-])C1 ZINC000738614637 605913520 /nfs/dbraw/zinc/91/35/20/605913520.db2.gz MNQNFGSYDHNEEX-ONGXEEELSA-N -1 0 312.370 -0.559 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000738525475 605914219 /nfs/dbraw/zinc/91/42/19/605914219.db2.gz VRHXDIMFCLYFCT-JQWIXIFHSA-N -1 0 312.370 -0.593 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@H](NC(=O)[O-])C2)C1 ZINC000738542356 605914806 /nfs/dbraw/zinc/91/48/06/605914806.db2.gz PLWYRNBKPPJDCR-RYUDHWBXSA-N -1 0 312.370 -0.545 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)Cn1nc2ccccn2c1=O)C1CC1 ZINC000834139415 605916052 /nfs/dbraw/zinc/91/60/52/605916052.db2.gz JGMIPAMYHNSOLK-SNVBAGLBSA-N -1 0 319.321 -0.342 20 0 DBADRM CN(CCCNC(=O)C(=O)Nc1ccc(=O)n(C)c1)C(=O)[O-] ZINC000833872290 605921698 /nfs/dbraw/zinc/92/16/98/605921698.db2.gz INSIJSPKQHDBJR-UHFFFAOYSA-N -1 0 310.310 -0.560 20 0 DBADRM CCN(CCCNC(=O)C(=O)Nc1ccc(=O)n(C)c1)C(=O)[O-] ZINC000833856981 605921719 /nfs/dbraw/zinc/92/17/19/605921719.db2.gz DJONFWCQUJORON-UHFFFAOYSA-N -1 0 324.337 -0.170 20 0 DBADRM O=C([O-])N[C@H](CNc1ccc(C(=O)NCCO)nn1)C1CC1 ZINC000834150867 605922777 /nfs/dbraw/zinc/92/27/77/605922777.db2.gz PSNZZLDRTOHWOE-SNVBAGLBSA-N -1 0 309.326 -0.343 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCc1noc(C2CC2)n1 ZINC000834004434 605927345 /nfs/dbraw/zinc/92/73/45/605927345.db2.gz AOLSHFKFHFAUKI-UHFFFAOYSA-N -1 0 323.309 -0.615 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000833772180 605928278 /nfs/dbraw/zinc/92/82/78/605928278.db2.gz ZNUBCFKHIGQVCW-GHMZBOCLSA-N -1 0 316.379 -0.220 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@H](NC(=O)[O-])C1 ZINC000738599697 605928564 /nfs/dbraw/zinc/92/85/64/605928564.db2.gz FKMDXUCWXJCXHZ-KOLCDFICSA-N -1 0 312.370 -0.546 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCN3C(=O)OCC[C@@H]3C2)C1 ZINC000834117189 605929314 /nfs/dbraw/zinc/92/93/14/605929314.db2.gz QERBLEJVVORCEN-NXEZZACHSA-N -1 0 313.310 -0.582 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000834242245 605930058 /nfs/dbraw/zinc/93/00/58/605930058.db2.gz DRMYVEMOXGHDBD-VIFPVBQESA-N -1 0 301.299 -0.676 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[O-])CCO1 ZINC000833875646 605931223 /nfs/dbraw/zinc/93/12/23/605931223.db2.gz YNNFTQFGUAXRQC-VHSXEESVSA-N -1 0 301.343 -0.358 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@H](NC(=O)[O-])c2ccccc2)CCO1 ZINC000833875255 605935788 /nfs/dbraw/zinc/93/57/88/605935788.db2.gz MGMPJSTYLJDEPV-VXGBXAGGSA-N -1 0 321.333 -0.031 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000826793166 605940838 /nfs/dbraw/zinc/94/08/38/605940838.db2.gz LICCTRWTGDJACV-IUCAKERBSA-N -1 0 312.326 -0.569 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)o1 ZINC000834246841 605941550 /nfs/dbraw/zinc/94/15/50/605941550.db2.gz QZRPTRUHBNYXOU-QMMMGPOBSA-N -1 0 322.277 -0.577 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000834166266 605941565 /nfs/dbraw/zinc/94/15/65/605941565.db2.gz DOOITWWKADRBQC-BBBLOLIVSA-N -1 0 324.337 -0.425 20 0 DBADRM O=C([O-])N1CCC[C@H]1CC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000834287918 605942161 /nfs/dbraw/zinc/94/21/61/605942161.db2.gz BDVWJYUVIFJIDF-DTWKUNHWSA-N -1 0 310.310 -0.719 20 0 DBADRM O=C([O-])NCC1(C(=O)O[C@@H]2CCCNC2=O)CCOCC1 ZINC000834207096 605950063 /nfs/dbraw/zinc/95/00/63/605950063.db2.gz PSPMEIGLPRUZAG-SECBINFHSA-N -1 0 300.311 -0.127 20 0 DBADRM O=C([O-])NCC1(C(=O)OCC(=O)N2CCC2)CCOCC1 ZINC000834207150 605950109 /nfs/dbraw/zinc/95/01/09/605950109.db2.gz ROXIUCMUUJXCAQ-UHFFFAOYSA-N -1 0 300.311 -0.174 20 0 DBADRM O=C(CN(C(=O)[O-])C1CC1)NCCN1CCCS1(=O)=O ZINC000833998509 605964692 /nfs/dbraw/zinc/96/46/92/605964692.db2.gz SQLQGFDNDYCDBO-UHFFFAOYSA-N -1 0 305.356 -0.720 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCOCC3(CC3)C2)C(=O)C1 ZINC000834113402 605969871 /nfs/dbraw/zinc/96/98/71/605969871.db2.gz VBRPXVULDJVXTD-UHFFFAOYSA-N -1 0 311.338 -0.552 20 0 DBADRM O=C([O-])N1CCC[C@H]1CCC(=O)N1CCN(C(=O)CO)CC1 ZINC000834006009 605971209 /nfs/dbraw/zinc/97/12/09/605971209.db2.gz JOIHMFFADLMAQH-NSHDSACASA-N -1 0 313.354 -0.428 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000834243614 605972657 /nfs/dbraw/zinc/97/26/57/605972657.db2.gz YRQGDPUWTYIDIW-MNOVXSKESA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])N1CCCN1C(=O)CSCC(=O)N1CCOCC1 ZINC000834010230 605980137 /nfs/dbraw/zinc/98/01/37/605980137.db2.gz LGIBUSSJOLVTOQ-UHFFFAOYSA-N -1 0 317.367 -0.294 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)N[C@H](CO)C2CCOCC2)C1 ZINC000834086498 605981655 /nfs/dbraw/zinc/98/16/55/605981655.db2.gz UXBZMVCDBQHTMZ-ZWNOBZJWSA-N -1 0 304.318 -0.018 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)CN(C(=O)[O-])C1CC1 ZINC000833986311 605984292 /nfs/dbraw/zinc/98/42/92/605984292.db2.gz NVRXEPUIUKAKIJ-VIFPVBQESA-N -1 0 305.356 -0.592 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)CN(C(=O)[O-])C2CC2)C1 ZINC000833985996 605984397 /nfs/dbraw/zinc/98/43/97/605984397.db2.gz DKXCDKGUUDLBCD-SECBINFHSA-N -1 0 319.383 -0.344 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)N[C@@H](CO)C1CCOCC1 ZINC000834011727 605987952 /nfs/dbraw/zinc/98/79/52/605987952.db2.gz ZQXQNCGNFBYJQO-NSHDSACASA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000834019010 605988145 /nfs/dbraw/zinc/98/81/45/605988145.db2.gz OGDOZSSEICIHJN-GRYCIOLGSA-N -1 0 320.349 -0.110 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N[C@@H]2CN(c3ccccc3)C2=O)C1 ZINC000834019594 605989836 /nfs/dbraw/zinc/98/98/36/605989836.db2.gz PXQREYJGVRMGAV-NEPJUHHUSA-N -1 0 319.317 -0.103 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)c2cnc(NC(=O)[O-])cn2)O1 ZINC000833982936 606005661 /nfs/dbraw/zinc/00/56/61/606005661.db2.gz ZVNBLPULXSZRNA-HTRCEHHLSA-N -1 0 309.282 -0.671 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)OCC(=O)N2CCCC2=O)cn1 ZINC000834277319 606010630 /nfs/dbraw/zinc/01/06/30/606010630.db2.gz ATDVAISXIIWTBO-UHFFFAOYSA-N -1 0 308.250 -0.128 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)OCC(=O)N2CCOCC2)cn1 ZINC000834277822 606011150 /nfs/dbraw/zinc/01/11/50/606011150.db2.gz HUVJPMWTSNYIBF-UHFFFAOYSA-N -1 0 310.266 -0.418 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)OCCCN2C(=O)CNC2=O)cn1 ZINC000834279219 606011250 /nfs/dbraw/zinc/01/12/50/606011250.db2.gz UEZUQUJALWITFY-UHFFFAOYSA-N -1 0 323.265 -0.335 20 0 DBADRM O=C([O-])N1CCC(NC(=O)NCC(=O)N2CCOCC2)CC1 ZINC000834019921 606015716 /nfs/dbraw/zinc/01/57/16/606015716.db2.gz RVUBAURUXIFBMM-UHFFFAOYSA-N -1 0 314.342 -0.713 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)NCC(=O)N2CCOCC2)C1 ZINC000834019257 606015726 /nfs/dbraw/zinc/01/57/26/606015726.db2.gz MRVZELISGFCXDR-SNVBAGLBSA-N -1 0 314.342 -0.713 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)NCC(=O)N1CCOCC1 ZINC000834018870 606015812 /nfs/dbraw/zinc/01/58/12/606015812.db2.gz JUSVDGHFLZTIQC-SNVBAGLBSA-N -1 0 314.342 -0.713 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)NCC(=O)N1CCOCC1)C1CC1 ZINC000834147434 606017111 /nfs/dbraw/zinc/01/71/11/606017111.db2.gz RDBHPKNGLVDRRI-JTQLQIEISA-N -1 0 314.342 -0.809 20 0 DBADRM COCCN(CC(=O)N(C)C[C@H]1CCN(C(C)=O)C1)C(=O)[O-] ZINC000833883831 606020541 /nfs/dbraw/zinc/02/05/41/606020541.db2.gz URGXHAYWUHZJGM-GFCCVEGCSA-N -1 0 315.370 -0.060 20 0 DBADRM CCS(=O)(=O)CCNC(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833862926 606020587 /nfs/dbraw/zinc/02/05/87/606020587.db2.gz BQMPIOBSHYMRIT-UHFFFAOYSA-N -1 0 302.312 -0.269 20 0 DBADRM O=C(CC[C@@H]1CCCN1C(=O)[O-])NCC(=O)N1CCOCC1 ZINC000833996545 606024108 /nfs/dbraw/zinc/02/41/08/606024108.db2.gz QBVRIFVTCZLYRR-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM Cn1ccc(CNC(=O)NCCCN2CCN(C(=O)[O-])CC2)n1 ZINC000833953617 606025121 /nfs/dbraw/zinc/02/51/21/606025121.db2.gz YZMMUXBFFLTKEQ-UHFFFAOYSA-N -1 0 324.385 -0.095 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000833864456 606027039 /nfs/dbraw/zinc/02/70/39/606027039.db2.gz NLXNZSIYGKYLGT-IUCAKERBSA-N -1 0 307.372 -0.475 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000834127622 606028389 /nfs/dbraw/zinc/02/83/89/606028389.db2.gz ICROLBZXJYZWRT-NKWVEPMBSA-N -1 0 319.264 -0.316 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000833980668 606037233 /nfs/dbraw/zinc/03/72/33/606037233.db2.gz PJDQSKSSWFMRBB-QWRGUYRKSA-N -1 0 313.354 -0.227 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)NCCCN1C(=O)CCC1=O ZINC000834130957 606039986 /nfs/dbraw/zinc/03/99/86/606039986.db2.gz QAXKNICHZLXGTG-ZETCQYMHSA-N -1 0 321.280 -0.067 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)NCCN1C(=O)CCC1=O ZINC000834127870 606051122 /nfs/dbraw/zinc/05/11/22/606051122.db2.gz DVRUAEZVKRVWBI-LURJTMIESA-N -1 0 307.253 -0.457 20 0 DBADRM NC(=O)CCn1ccc(NC(=O)[C@H](CC(F)F)NC(=O)[O-])n1 ZINC000833985711 606051770 /nfs/dbraw/zinc/05/17/70/606051770.db2.gz UNVFCSPLKCKUNT-LURJTMIESA-N -1 0 319.268 -0.012 20 0 DBADRM Cn1cc(CNC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)nn1 ZINC000833948610 606053302 /nfs/dbraw/zinc/05/33/02/606053302.db2.gz IKRRSVMXBOAQGF-UHFFFAOYSA-N -1 0 310.358 -0.495 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833943721 606054964 /nfs/dbraw/zinc/05/49/64/606054964.db2.gz OHLSMVLLPIYXNW-UHFFFAOYSA-N -1 0 323.338 -0.044 20 0 DBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000834240105 606055901 /nfs/dbraw/zinc/05/59/01/606055901.db2.gz ITDGTFQBSILNQJ-WDEREUQCSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)NCc1nnnn1C1CC1 ZINC000834135892 606062010 /nfs/dbraw/zinc/06/20/10/606062010.db2.gz OXGVDOTYUWROKF-ZCFIWIBFSA-N -1 0 304.257 -0.084 20 0 DBADRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCCOCC(N)=O ZINC000833824844 606070657 /nfs/dbraw/zinc/07/06/57/606070657.db2.gz JAMAWCLLHHNIRS-ZANVPECISA-N -1 0 301.343 -0.179 20 0 DBADRM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCCOCC(N)=O ZINC000833824843 606070674 /nfs/dbraw/zinc/07/06/74/606070674.db2.gz JAMAWCLLHHNIRS-TVQRCGJNSA-N -1 0 301.343 -0.179 20 0 DBADRM O=C([O-])N1CCC(CCC(=O)NCC(=O)NCCO)CC1 ZINC000833990466 606070944 /nfs/dbraw/zinc/07/09/44/606070944.db2.gz BRBDIFKXAQLYEK-UHFFFAOYSA-N -1 0 301.343 -0.619 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)[C@@H](CC(F)F)NC(=O)[O-])cn1 ZINC000833946682 606073123 /nfs/dbraw/zinc/07/31/23/606073123.db2.gz NWIVPLVKDRDUOH-HTQZYQBOSA-N -1 0 306.269 -0.139 20 0 DBADRM O=C([O-])N[C@H](C(=O)NCC(=O)N1CCOCC1)c1ccccc1 ZINC000834251651 606076168 /nfs/dbraw/zinc/07/61/68/606076168.db2.gz JZQVJAZTBDNSTI-ZDUSSCGKSA-N -1 0 321.333 -0.030 20 0 DBADRM O=C(COC(=O)[C@H]1CCCN(C(=O)[O-])C1)NC(=O)NC1CC1 ZINC000834007265 606078275 /nfs/dbraw/zinc/07/82/75/606078275.db2.gz RGSUWEGGITXZBP-QMMMGPOBSA-N -1 0 313.310 -0.092 20 0 DBADRM CCS(=O)(=O)CCNC(=O)CCOC1CN(C(=O)[O-])C1 ZINC000833864440 606083688 /nfs/dbraw/zinc/08/36/88/606083688.db2.gz ZYLYMQVCDZHDQT-UHFFFAOYSA-N -1 0 308.356 -0.694 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCC1CCS(=O)(=O)CC1 ZINC000834031356 606087027 /nfs/dbraw/zinc/08/70/27/606087027.db2.gz NWXKKBBVFQIRFC-UWVGGRQHSA-N -1 0 320.367 -0.959 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000834184502 606097642 /nfs/dbraw/zinc/09/76/42/606097642.db2.gz HXWKGIDOOMRMFM-JTQLQIEISA-N -1 0 319.383 -0.137 20 0 DBADRM Cn1cc(C(=O)COC(=O)CCOC2CN(C(=O)[O-])C2)cn1 ZINC000833945539 606103601 /nfs/dbraw/zinc/10/36/01/606103601.db2.gz UJQDNOQYZCQFGZ-UHFFFAOYSA-N -1 0 311.294 -0.085 20 0 DBADRM O=C([O-])NCCNC(=O)C(=O)Nc1cnc2c(c1)COCC2 ZINC000834239243 606108028 /nfs/dbraw/zinc/10/80/28/606108028.db2.gz IPRVASDTOBOMNT-UHFFFAOYSA-N -1 0 308.294 -0.523 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821694477 606178908 /nfs/dbraw/zinc/17/89/08/606178908.db2.gz OQPFZCVXOXKNPT-UHFFFAOYSA-N -1 0 317.352 -0.366 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821933217 606333309 /nfs/dbraw/zinc/33/33/09/606333309.db2.gz XTHQMAMJJPDLBF-MRVPVSSYSA-N -1 0 312.359 -0.870 20 0 DBADRM C[C@@H]1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@H]1C ZINC000820770215 606417770 /nfs/dbraw/zinc/41/77/70/606417770.db2.gz ZOTYMCNIEJUNAR-HTQZYQBOSA-N -1 0 305.342 -0.644 20 0 DBADRM CCC1(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC1 ZINC000820962397 606428832 /nfs/dbraw/zinc/42/88/32/606428832.db2.gz PTWRUQNXXGVJPF-UHFFFAOYSA-N -1 0 305.342 -0.134 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1 ZINC000822414533 606711350 /nfs/dbraw/zinc/71/13/50/606711350.db2.gz JJISOWZKUNYNOU-UHFFFAOYSA-N -1 0 323.342 -0.259 20 0 DBADRM CC[C@H](CCO)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820902045 606722833 /nfs/dbraw/zinc/72/28/33/606722833.db2.gz HWKKATDFRRFQJV-MRVPVSSYSA-N -1 0 323.357 -0.915 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@]2(C)CCCO2)n(C)c1=O ZINC000822600587 606725270 /nfs/dbraw/zinc/72/52/70/606725270.db2.gz OARAEUFDISUGMD-CYBMUJFWSA-N -1 0 321.341 -0.755 20 0 DBADRM COCCC(=O)Cn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O ZINC000821684980 606783406 /nfs/dbraw/zinc/78/34/06/606783406.db2.gz QBDWHGWAZZTXPV-UHFFFAOYSA-N -1 0 321.293 -0.579 20 0 DBADRM CC[C@](C)(CCO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820853006 606791770 /nfs/dbraw/zinc/79/17/70/606791770.db2.gz IYWYAIMZOHHXAQ-CYBMUJFWSA-N -1 0 323.357 -0.773 20 0 DBADRM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)[O-] ZINC000820276763 606833858 /nfs/dbraw/zinc/83/38/58/606833858.db2.gz YNQUIPWJOXSJGQ-SSDOTTSWSA-N -1 0 311.323 -0.134 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1nnc2ccccn21 ZINC000823136392 607209296 /nfs/dbraw/zinc/20/92/96/607209296.db2.gz YVDGYHDDQSOJLY-UHFFFAOYSA-N -1 0 311.269 -0.860 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1nnc(C2CC2)s1 ZINC000823136438 607209383 /nfs/dbraw/zinc/20/93/83/607209383.db2.gz ZXSHMIBQKVPMCF-UHFFFAOYSA-N -1 0 318.326 -0.174 20 0 DBADRM CCCn1nccc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821148208 607212487 /nfs/dbraw/zinc/21/24/87/607212487.db2.gz MLXIBVUNZMAARI-UHFFFAOYSA-N -1 0 302.302 -0.297 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@@H](C)O1 ZINC000820988324 607215964 /nfs/dbraw/zinc/21/59/64/607215964.db2.gz FOMRDTSGFLWAHM-RKDXNWHRSA-N -1 0 306.330 -0.516 20 0 DBADRM C[C@H]1SCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@H]1C ZINC000820819301 607218217 /nfs/dbraw/zinc/21/82/17/607218217.db2.gz HEMWKCCKOVANFY-JGVFFNPUSA-N -1 0 308.371 -0.189 20 0 DBADRM COC(C)(C)C[C@@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821672635 607219789 /nfs/dbraw/zinc/21/97/89/607219789.db2.gz RWWCYELYMCDEPJ-MRVPVSSYSA-N -1 0 308.346 -0.222 20 0 DBADRM CCc1cnc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)s1 ZINC000821499795 607220159 /nfs/dbraw/zinc/22/01/59/607220159.db2.gz QODSUKUOWFZXBH-UHFFFAOYSA-N -1 0 319.354 -0.207 20 0 DBADRM CS[C@H]1CC[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821950585 607220156 /nfs/dbraw/zinc/22/01/56/607220156.db2.gz PCWULIODPKOYHY-SFYZADRCSA-N -1 0 308.371 -0.142 20 0 DBADRM COC[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccco1 ZINC000821682702 607220753 /nfs/dbraw/zinc/22/07/53/607220753.db2.gz MCNWEFKNNSEAMS-QMMMGPOBSA-N -1 0 318.297 -0.445 20 0 DBADRM CC(C)[C@@H]1OCC[C@@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820044605 607221079 /nfs/dbraw/zinc/22/10/79/607221079.db2.gz HRTJWTWWTMGQTH-KOLCDFICSA-N -1 0 320.357 -0.365 20 0 DBADRM CC(C)CO[C@H]1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000820097327 607223417 /nfs/dbraw/zinc/22/34/17/607223417.db2.gz MOBWKHNIOJNVRV-JTQLQIEISA-N -1 0 320.357 -0.268 20 0 DBADRM C[C@@H]1N(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCOC1(C)C ZINC000820814918 607224391 /nfs/dbraw/zinc/22/43/91/607224391.db2.gz ZFQOBRJGQUKNJP-QMMMGPOBSA-N -1 0 306.330 -0.516 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccn2ccnc2c1 ZINC000823131913 607224771 /nfs/dbraw/zinc/22/47/71/607224771.db2.gz QJCHGCONHXZOLM-UHFFFAOYSA-N -1 0 324.308 -0.578 20 0 DBADRM C[C@H]1OCC[C@@H]1Sc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825022861 607820003 /nfs/dbraw/zinc/82/00/03/607820003.db2.gz ZOYXOZGNCSOJQA-RQJHMYQMSA-N -1 0 324.366 -0.466 20 0 DBADRM CN(C[C@H]1CCC[C@@H]1O)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825909010 607862635 /nfs/dbraw/zinc/86/26/35/607862635.db2.gz PRQAJYJUDHKBOS-BDAKNGLRSA-N -1 0 306.330 -0.922 20 0 DBADRM CC[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC000825135175 607912843 /nfs/dbraw/zinc/91/28/43/607912843.db2.gz ZSLTXHYOEPDOTI-DTWKUNHWSA-N -1 0 306.330 -0.468 20 0 DBADRM C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000824385380 608009569 /nfs/dbraw/zinc/00/95/69/608009569.db2.gz RUURBZKCRQTWNG-LURJTMIESA-N -1 0 312.311 -0.597 20 0 DBADRM Cc1cccc(S(=O)(=O)N(C)CC(=O)[O-])c1-c1nn[nH]n1 ZINC000826301008 608010351 /nfs/dbraw/zinc/01/03/51/608010351.db2.gz ONOLOWIQYVFRGN-UHFFFAOYSA-N -1 0 311.323 -0.120 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824051710 608011240 /nfs/dbraw/zinc/01/12/40/608011240.db2.gz CLSWKYPRIIQHDM-ZETCQYMHSA-N -1 0 311.323 -0.040 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824052281 608011253 /nfs/dbraw/zinc/01/12/53/608011253.db2.gz MPOJCPDCORQHFY-ZETCQYMHSA-N -1 0 311.323 -0.040 20 0 DBADRM Cc1nc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)cs1 ZINC000826327195 608095879 /nfs/dbraw/zinc/09/58/79/608095879.db2.gz XAMNXFLVKQSEHM-UHFFFAOYSA-N -1 0 305.323 -0.460 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@H](C3CC3)C2)n(C)c1=O ZINC000826355605 608152064 /nfs/dbraw/zinc/15/20/64/608152064.db2.gz HHDKBHNOTDZRGM-VIFPVBQESA-N -1 0 317.353 -0.500 20 0 DBADRM CC(C)c1nc(N(C)C)nc(-n2cnc(-c3nnn[n-]3)n2)n1 ZINC000824358354 608391149 /nfs/dbraw/zinc/39/11/49/608391149.db2.gz IAKUHVALXSQLJM-UHFFFAOYSA-N -1 0 301.318 -0.178 20 0 DBADRM Cc1nc(CCn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)cs1 ZINC000826325922 608397503 /nfs/dbraw/zinc/39/75/03/608397503.db2.gz QWJAECRUQROFTN-UHFFFAOYSA-N -1 0 319.350 -0.265 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CN2CCCCC2=O)c1=O ZINC000825796730 608470682 /nfs/dbraw/zinc/47/06/82/608470682.db2.gz KXLYWBHBODQJEK-UHFFFAOYSA-N -1 0 319.325 -0.820 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(COC(=O)C(C)(C)C)c1=O ZINC000825796991 608668854 /nfs/dbraw/zinc/66/88/54/608668854.db2.gz SRNGRHQRFSEHDS-UHFFFAOYSA-N -1 0 322.325 -0.243 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826437379 609220418 /nfs/dbraw/zinc/22/04/18/609220418.db2.gz IOTFQRWXTTYADS-UHFFFAOYSA-N -1 0 303.286 -0.619 20 0 DBADRM CCOC(=O)c1cnc(-n2cnc(-c3nnn[n-]3)n2)nc1C ZINC000825565273 609316190 /nfs/dbraw/zinc/31/61/90/609316190.db2.gz PRQAILHXHUVEQD-UHFFFAOYSA-N -1 0 301.270 -0.277 20 0 DBADRM CN(C)c1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC000825883700 609426188 /nfs/dbraw/zinc/42/61/88/609426188.db2.gz KVTSQKVRCATZLR-UHFFFAOYSA-N -1 0 314.313 -0.442 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(S[C@@H]2CCCOC2)n(C)c1=O ZINC000826356330 609580047 /nfs/dbraw/zinc/58/00/47/609580047.db2.gz LSSKWGFIEFZYOU-SSDOTTSWSA-N -1 0 324.366 -0.465 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1CCC1 ZINC000977236517 665449711 /nfs/dbraw/zinc/44/97/11/665449711.db2.gz APTWBWKDQAIMEY-VIFPVBQESA-N -1 0 321.337 -0.244 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2C(=O)c2cnon2)c1[O-] ZINC000977585376 665484599 /nfs/dbraw/zinc/48/45/99/665484599.db2.gz OVMRKNSUEBLQPJ-MRVPVSSYSA-N -1 0 320.309 -0.207 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@@H]1CCOC1 ZINC000977949351 665507760 /nfs/dbraw/zinc/50/77/60/665507760.db2.gz ZSKXUSPOYLHFES-DBIOUOCHSA-N -1 0 307.354 -0.659 20 0 DBADRM CC(C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978068812 665516868 /nfs/dbraw/zinc/51/68/68/665516868.db2.gz GPBKGQRHOIUZEU-MRVPVSSYSA-N -1 0 309.326 -0.388 20 0 DBADRM CC(C)=CC(=O)N1CC[C@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978075207 665517193 /nfs/dbraw/zinc/51/71/93/665517193.db2.gz UZZVLEDOXHONNL-VIFPVBQESA-N -1 0 321.337 -0.078 20 0 DBADRM CN(C[C@H]1CCN1C(=O)C1CC1)C(=O)c1cnc([O-])n(C)c1=O ZINC000978121142 665520413 /nfs/dbraw/zinc/52/04/13/665520413.db2.gz FZZMIPZJNLTGKO-SNVBAGLBSA-N -1 0 320.349 -0.431 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000978561630 665543936 /nfs/dbraw/zinc/54/39/36/665543936.db2.gz RPGLPACJVPZDNB-IMSYWVGJSA-N -1 0 323.353 -0.644 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ccnnc1 ZINC000978769732 665567314 /nfs/dbraw/zinc/56/73/14/665567314.db2.gz VJUULCYTCRXYFO-RTCCRHLQSA-N -1 0 315.337 -0.592 20 0 DBADRM O=C(Cn1cccn1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001006750915 665587454 /nfs/dbraw/zinc/58/74/54/665587454.db2.gz MHWPFQBVRCWDCG-SNVBAGLBSA-N -1 0 305.342 -0.512 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1cnccn1 ZINC001027730817 665605459 /nfs/dbraw/zinc/60/54/59/665605459.db2.gz ZQCDGMYZKDPPRZ-SECBINFHSA-N -1 0 303.326 -0.305 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)C1=COCCO1 ZINC001027738672 665612527 /nfs/dbraw/zinc/61/25/27/665612527.db2.gz BMDSSEHLCHXYLH-SECBINFHSA-N -1 0 309.326 -0.521 20 0 DBADRM C[C@@H]([NH2+]Cc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC000979208146 665619539 /nfs/dbraw/zinc/61/95/39/665619539.db2.gz JHLGFQQSJKGXTK-SCZZXKLOSA-N -1 0 321.341 -0.747 20 0 DBADRM Cn1[nH]c(CN2CCC[C@H]2CNC(=O)c2cscn2)nc1=O ZINC001027781777 665639491 /nfs/dbraw/zinc/63/94/91/665639491.db2.gz MGXINLGILSWWHS-VIFPVBQESA-N -1 0 322.394 -0.041 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000979439382 665653868 /nfs/dbraw/zinc/65/38/68/665653868.db2.gz RPGLPACJVPZDNB-AATLWQCWSA-N -1 0 323.353 -0.644 20 0 DBADRM Cc1ncc(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)[nH]1 ZINC001027795253 665651797 /nfs/dbraw/zinc/65/17/97/665651797.db2.gz RSNFFFFJLRDKBL-VIFPVBQESA-N -1 0 305.342 -0.064 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1CCNC(=O)C1 ZINC001027827818 665679833 /nfs/dbraw/zinc/67/98/33/665679833.db2.gz ZTLICOHDBMIBGU-NXEZZACHSA-N -1 0 322.369 -0.883 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)CSc1nnnn1C1CC1 ZINC000739200405 665680489 /nfs/dbraw/zinc/68/04/89/665680489.db2.gz HBDDTNZUTPGTNS-UHFFFAOYSA-N -1 0 305.385 -0.044 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2CC(=O)N2CCC2)c1[O-] ZINC001027830339 665681657 /nfs/dbraw/zinc/68/16/57/665681657.db2.gz ZZRSNQINXJLLEV-NSHDSACASA-N -1 0 321.381 -0.150 20 0 DBADRM CC[C@H](C(N)=O)N1CCC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001027832237 665684280 /nfs/dbraw/zinc/68/42/80/665684280.db2.gz BJOHJIIATZFHAQ-VHSXEESVSA-N -1 0 309.370 -0.118 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2[C@@H]2CCN(C)C2=O)c1[O-] ZINC001027833435 665684630 /nfs/dbraw/zinc/68/46/30/665684630.db2.gz QEKSEIOOHGTLHP-GHMZBOCLSA-N -1 0 321.381 -0.151 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1cncnc1 ZINC001027839687 665690338 /nfs/dbraw/zinc/69/03/38/665690338.db2.gz XLQCPSVWABCPEF-SNVBAGLBSA-N -1 0 303.326 -0.305 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc(=O)[nH]n1 ZINC001010037090 665691215 /nfs/dbraw/zinc/69/12/15/665691215.db2.gz HAUORUFZHNAQPD-ZETCQYMHSA-N -1 0 305.298 -0.990 20 0 DBADRM O=C(N[C@@H]1CC[C@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]21)c1cn[nH]n1 ZINC000979840893 665692436 /nfs/dbraw/zinc/69/24/36/665692436.db2.gz VDAXNIBCNIMKPD-LPEHRKFASA-N -1 0 315.337 -0.192 20 0 DBADRM Cc1cnn(C)c1C(=O)NC[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000980199639 665736209 /nfs/dbraw/zinc/73/62/09/665736209.db2.gz CSQCHURJPMABJE-MGCOHNPYSA-N -1 0 317.353 -0.215 20 0 DBADRM C[C@@H]1C[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)c1cnn(C)c1 ZINC000980361087 665752344 /nfs/dbraw/zinc/75/23/44/665752344.db2.gz WDDADFQGJZYRPC-NXEZZACHSA-N -1 0 319.369 -0.116 20 0 DBADRM O=C(C1CCOCC1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980612637 665781199 /nfs/dbraw/zinc/78/11/99/665781199.db2.gz LAMNKPCQXZNBER-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM Cn1nc(CN2CCCN(C(=O)C[C@H]3CCCO3)CC2)[n-]c1=O ZINC000980733657 665791891 /nfs/dbraw/zinc/79/18/91/665791891.db2.gz AAMVXLLONMPYRQ-GFCCVEGCSA-N -1 0 323.397 -0.288 20 0 DBADRM Cc1cc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1C ZINC000980788163 665800068 /nfs/dbraw/zinc/80/00/68/665800068.db2.gz ZGDZVQSKMXGJLH-UHFFFAOYSA-N -1 0 319.369 -0.100 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3cnn(C)c3)CC2)c1[O-] ZINC001010265785 665812766 /nfs/dbraw/zinc/81/27/66/665812766.db2.gz LNPYPKAOPDIPCG-UHFFFAOYSA-N -1 0 318.337 -0.245 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN(CC(=O)NC3CC3)CC2)c1[O-] ZINC000980981781 665814548 /nfs/dbraw/zinc/81/45/48/665814548.db2.gz IKWYLDYJQFYJQT-UHFFFAOYSA-N -1 0 321.381 -0.150 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN(CC(=O)N(C)C)CC2)c1[O-] ZINC000980982007 665815393 /nfs/dbraw/zinc/81/53/93/665815393.db2.gz RWUGEUZJYNPLTR-UHFFFAOYSA-N -1 0 309.370 -0.340 20 0 DBADRM Cc1cc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)ncn1 ZINC000980989783 665815407 /nfs/dbraw/zinc/81/54/07/665815407.db2.gz JSSGZMWRLLVLMD-UHFFFAOYSA-N -1 0 317.353 -0.043 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1cccc2ncccc21)C(=O)[O-] ZINC000317396125 665815704 /nfs/dbraw/zinc/81/57/04/665815704.db2.gz MZFLQYJXLXRMMZ-JTQLQIEISA-N -1 0 323.330 -0.158 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001028064536 665832801 /nfs/dbraw/zinc/83/28/01/665832801.db2.gz LESWNXUOCLHGGT-QMMMGPOBSA-N -1 0 306.330 -0.669 20 0 DBADRM CN1CC[C@@H](C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)C1=O ZINC001028086617 665845086 /nfs/dbraw/zinc/84/50/86/665845086.db2.gz XDWNBOKQBNBXBG-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981395882 665848656 /nfs/dbraw/zinc/84/86/56/665848656.db2.gz ITBUNOWJKBGKSP-UHFFFAOYSA-N -1 0 321.341 -0.404 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1CCCN(CCF)CC1 ZINC000981534822 665855826 /nfs/dbraw/zinc/85/58/26/665855826.db2.gz IUKMLXLETNMKTD-UHFFFAOYSA-N -1 0 313.333 -0.281 20 0 DBADRM O=C(c1cn[nH]c1)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC000981641001 665863822 /nfs/dbraw/zinc/86/38/22/665863822.db2.gz KYDNTNJQKPHFEQ-UHFFFAOYSA-N -1 0 317.353 -0.028 20 0 DBADRM COc1nc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)co1 ZINC000981697343 665867381 /nfs/dbraw/zinc/86/73/81/665867381.db2.gz CMSNDSMDALMGAR-UHFFFAOYSA-N -1 0 322.325 -0.145 20 0 DBADRM Cn1cc(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)[nH]c1=O ZINC001028115921 665868450 /nfs/dbraw/zinc/86/84/50/665868450.db2.gz XRYBBOGYXWVYEQ-QMMMGPOBSA-N -1 0 321.341 -0.656 20 0 DBADRM C[C@@]1(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)CCC(=O)N1 ZINC000981892161 665888464 /nfs/dbraw/zinc/88/84/64/665888464.db2.gz JNBSIVIDWRQBIW-AWEZNQCLSA-N -1 0 322.369 -0.787 20 0 DBADRM C[C@@]1(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)CCNC1=O ZINC000981945244 665892197 /nfs/dbraw/zinc/89/21/97/665892197.db2.gz JFLOYHSEYSIVEE-CQSZACIVSA-N -1 0 322.369 -0.929 20 0 DBADRM Cc1c[nH]c(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001028190972 665899942 /nfs/dbraw/zinc/89/99/42/665899942.db2.gz HFMNWZUESZNRLU-VIFPVBQESA-N -1 0 305.342 -0.064 20 0 DBADRM COCC(=O)N1C[C@@]2(C)CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC000982181226 665919680 /nfs/dbraw/zinc/91/96/80/665919680.db2.gz GUYWSYTURKHOBT-OKILXGFUSA-N -1 0 309.370 -0.173 20 0 DBADRM CC[C@@H](C)C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001010393597 665920076 /nfs/dbraw/zinc/92/00/76/665920076.db2.gz COUSHDMQNGOXDC-SECBINFHSA-N -1 0 311.342 -0.594 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001020428147 663806915 /nfs/dbraw/zinc/80/69/15/663806915.db2.gz YZCYALCYCGHQFW-JBDRJPRFSA-N -1 0 321.337 -0.342 20 0 DBADRM Cc1ncncc1C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969342889 663818761 /nfs/dbraw/zinc/81/87/61/663818761.db2.gz RROCVZMTISVOOL-QMMMGPOBSA-N -1 0 317.353 -0.141 20 0 DBADRM C[C@H](NC(=O)c1cnns1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969349042 663819220 /nfs/dbraw/zinc/81/92/20/663819220.db2.gz NKTJDIGAXOXAAO-LURJTMIESA-N -1 0 309.355 -0.388 20 0 DBADRM Cc1cc(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC000969366047 663821666 /nfs/dbraw/zinc/82/16/66/663821666.db2.gz PZZCTFBYIBFHPD-SECBINFHSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1c(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nnn1C ZINC000969433141 663830114 /nfs/dbraw/zinc/83/01/14/663830114.db2.gz JZNLANQQMKDAKJ-SSDOTTSWSA-N -1 0 320.357 -0.802 20 0 DBADRM Cc1ncoc1C(=O)N[C@@H](C)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000969456753 663834998 /nfs/dbraw/zinc/83/49/98/663834998.db2.gz REUHUKSHYWXLAL-QMMMGPOBSA-N -1 0 320.353 -0.345 20 0 DBADRM O=C([C@H]1CCNC(=O)CC1)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC000969464856 663836186 /nfs/dbraw/zinc/83/61/86/663836186.db2.gz HSUWSHPRMJQHFV-NXEZZACHSA-N -1 0 322.369 -0.883 20 0 DBADRM CNC(=O)[C@@H](C)N1CC([C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000969500085 663839126 /nfs/dbraw/zinc/83/91/26/663839126.db2.gz GRWJRCQDFXZULM-VXNVDRBHSA-N -1 0 309.370 -0.392 20 0 DBADRM C[C@H](NC(=O)C1CCC(O)CC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969569824 663845387 /nfs/dbraw/zinc/84/53/87/663845387.db2.gz SIHWIKXOWPNDDF-BMQDGWLCSA-N -1 0 323.397 -0.002 20 0 DBADRM CCn1ncc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000969624831 663851677 /nfs/dbraw/zinc/85/16/77/663851677.db2.gz NQGWOLMKSJJSCZ-QMMMGPOBSA-N -1 0 320.357 -0.628 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnsn1 ZINC001006800290 663858165 /nfs/dbraw/zinc/85/81/65/663858165.db2.gz RNTUWUREXUVZBL-ZETCQYMHSA-N -1 0 309.355 -0.244 20 0 DBADRM C[C@@H](NC(=O)c1cccc2n[nH]nc21)C1CN(CC(N)=O)C1 ZINC000969738019 663860736 /nfs/dbraw/zinc/86/07/36/663860736.db2.gz FVJPXTMXOIHCJY-MRVPVSSYSA-N -1 0 302.338 -0.507 20 0 DBADRM CC(=O)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC001020634114 663880300 /nfs/dbraw/zinc/88/03/00/663880300.db2.gz IWSDAGQHLZJPER-IONNQARKSA-N -1 0 309.326 -0.483 20 0 DBADRM C[C@@H](NC(=O)c1cc(=O)[nH]c(C2CC2)n1)C1CN(CC(N)=O)C1 ZINC000969917220 663881666 /nfs/dbraw/zinc/88/16/66/663881666.db2.gz WGXXASUPSKPTLS-MRVPVSSYSA-N -1 0 319.365 -0.405 20 0 DBADRM CC(=O)N1CC[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)[C@H](C)C1 ZINC001020645670 663883020 /nfs/dbraw/zinc/88/30/20/663883020.db2.gz PVPBLBJNSBIZQW-KOLCDFICSA-N -1 0 322.365 -0.280 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(=O)[N-]OC/C=C\Cl)cn1C ZINC000812403611 663898128 /nfs/dbraw/zinc/89/81/28/663898128.db2.gz TZHVDWLPNCUMSO-ARJAWSKDSA-N -1 0 322.774 -0.193 20 0 DBADRM CC(=O)NC[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC001020781612 663905124 /nfs/dbraw/zinc/90/51/24/663905124.db2.gz USVZBLXZOXYWID-ONGXEEELSA-N -1 0 322.365 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]2C)c1[O-] ZINC001020799040 663906971 /nfs/dbraw/zinc/90/69/71/663906971.db2.gz MYYBTRRNGMYXHV-APPZFPTMSA-N -1 0 323.353 -0.877 20 0 DBADRM CCC(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001020863629 663914711 /nfs/dbraw/zinc/91/47/11/663914711.db2.gz UQSGUELYUBPTBC-DTWKUNHWSA-N -1 0 309.326 -0.841 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@@H]2CCN(C(=O)C3CC3)[C@@H]2C1 ZINC001020883916 663917783 /nfs/dbraw/zinc/91/77/83/663917783.db2.gz FLRVQHJIVROEPF-DTWKUNHWSA-N -1 0 319.321 -0.634 20 0 DBADRM COCC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001020924445 663922050 /nfs/dbraw/zinc/92/20/50/663922050.db2.gz BUEGDVXLUGBXNF-VHSXEESVSA-N -1 0 308.338 -0.257 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3cn(C)nn3)C2)c1[O-] ZINC001010625186 663939061 /nfs/dbraw/zinc/93/90/61/663939061.db2.gz GOCMKCUKDQOMPN-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]cc1F)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970380726 663980579 /nfs/dbraw/zinc/98/05/79/663980579.db2.gz ONNAJWULQFXOSW-ZCFIWIBFSA-N -1 0 309.305 -0.377 20 0 DBADRM CCn1ccc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000970532017 664004501 /nfs/dbraw/zinc/00/45/01/664004501.db2.gz PFVCFHXPTHSRJC-VIFPVBQESA-N -1 0 319.369 -0.023 20 0 DBADRM Cc1cc(CN[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)no1 ZINC000970582442 664012541 /nfs/dbraw/zinc/01/25/41/664012541.db2.gz VLFKXYCDBFYKPV-SECBINFHSA-N -1 0 322.325 -0.624 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)n1 ZINC000909856351 674581298 /nfs/dbraw/zinc/58/12/98/674581298.db2.gz RJCSJNSAKUAOBA-VXGBXAGGSA-N -1 0 309.322 -0.012 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)CC3CC3)[C@@H](O)C2)c1[O-] ZINC000991207769 674582438 /nfs/dbraw/zinc/58/24/38/674582438.db2.gz YFZTXNNTZDAAFA-QWRGUYRKSA-N -1 0 322.365 -0.085 20 0 DBADRM COCC(=O)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CC[C@@H]21 ZINC001021481964 664046963 /nfs/dbraw/zinc/04/69/63/664046963.db2.gz KWBWGANWZMOPGU-QWRGUYRKSA-N -1 0 309.370 -0.030 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)c2n[n-]c3ccccc3c2=O)[C@@H](O)C1 ZINC000970802508 664052623 /nfs/dbraw/zinc/05/26/23/664052623.db2.gz IXEISRRVAQVWHY-NEPJUHHUSA-N -1 0 316.317 -0.343 20 0 DBADRM CCC(=O)N1C[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC000970964485 664084726 /nfs/dbraw/zinc/08/47/26/664084726.db2.gz HAMHGVRJSGBDLH-MWLCHTKSSA-N -1 0 320.349 -0.431 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC000971021225 664095068 /nfs/dbraw/zinc/09/50/68/664095068.db2.gz QJFAWXVQOVFNPC-NSHDSACASA-N -1 0 318.337 -0.510 20 0 DBADRM COCC(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC000971061034 664102268 /nfs/dbraw/zinc/10/22/68/664102268.db2.gz MLMSKMQTIWFBTB-NXEZZACHSA-N -1 0 308.338 -0.257 20 0 DBADRM CN(C(=O)CN1CCCCS1(=O)=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000909990585 674589389 /nfs/dbraw/zinc/58/93/89/674589389.db2.gz KDPGSJBNBBUGIO-AOOOYVTPSA-N -1 0 304.368 -0.266 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)CCn2cccn2)C1 ZINC000971101584 664108537 /nfs/dbraw/zinc/10/85/37/664108537.db2.gz MSQWFJVYISIYCJ-NSHDSACASA-N -1 0 319.369 -0.170 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1cc(C2CC2)n(C)n1 ZINC000932973354 664109898 /nfs/dbraw/zinc/10/98/98/664109898.db2.gz XLJBZDVDNSBZLA-UHFFFAOYSA-N -1 0 310.354 -0.002 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC000971198505 664122752 /nfs/dbraw/zinc/12/27/52/664122752.db2.gz VHGZVCDYVZBHOR-LLVKDONJSA-N -1 0 319.369 -0.481 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)N2CC(C)(C(=O)[O-])C2)c(=O)c1 ZINC000910061149 674591977 /nfs/dbraw/zinc/59/19/77/674591977.db2.gz QBCXFJQXCDGRQV-OAHLLOKOSA-N -1 0 308.334 -0.159 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000971338881 664142701 /nfs/dbraw/zinc/14/27/01/664142701.db2.gz YWAUQSMPTSTDDK-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)CS(=O)(=O)C2CC2)C1 ZINC000910148973 674594972 /nfs/dbraw/zinc/59/49/72/674594972.db2.gz ZPAXVUUOFLXXJZ-QMMMGPOBSA-N -1 0 307.393 -0.160 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC000971346880 664145983 /nfs/dbraw/zinc/14/59/83/664145983.db2.gz OPJOSKYNJVYMEI-VHSXEESVSA-N -1 0 323.353 -0.504 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC000971385332 664153511 /nfs/dbraw/zinc/15/35/11/664153511.db2.gz JJNUWPLBRSEENW-MRVPVSSYSA-N -1 0 320.357 -0.828 20 0 DBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)NCCOCC(=O)[O-])CS2 ZINC000093227913 664169781 /nfs/dbraw/zinc/16/97/81/664169781.db2.gz IQSCFQHNJDLCHH-PELKAZGASA-N -1 0 302.352 -0.342 20 0 DBADRM CO[C@@H](C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC000971443716 664175579 /nfs/dbraw/zinc/17/55/79/664175579.db2.gz VWWSCJJMFRBKKN-CMPLNLGQSA-N -1 0 309.370 -0.032 20 0 DBADRM O=C([O-])CSCCC(=O)N1CCN(c2nccnn2)CC1 ZINC000910191504 674596766 /nfs/dbraw/zinc/59/67/66/674596766.db2.gz PMWBOIZBMNJDKP-UHFFFAOYSA-N -1 0 311.367 -0.272 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001021973967 664181764 /nfs/dbraw/zinc/18/17/64/664181764.db2.gz QCWMVWPUEWZKRG-KNVOCYPGSA-N -1 0 307.314 -0.702 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnnn2C)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC000650423992 664183601 /nfs/dbraw/zinc/18/36/01/664183601.db2.gz LTPAMOUIGAELPU-BHNWBGBOSA-N -1 0 304.328 -0.934 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)CC2 ZINC000910227101 674597935 /nfs/dbraw/zinc/59/79/35/674597935.db2.gz DLBJXHWMHKXRPI-MIMYLULJSA-N -1 0 308.338 -0.151 20 0 DBADRM CN1CC[C@@H](C(=O)NCC(=O)NCC(=O)[O-])c2ccccc21 ZINC000910334956 674602233 /nfs/dbraw/zinc/60/22/33/674602233.db2.gz WGEVGMVDMJBYPG-LLVKDONJSA-N -1 0 305.334 -0.073 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000971743897 664249065 /nfs/dbraw/zinc/24/90/65/664249065.db2.gz ZMOXDROXAAPLKZ-MRVPVSSYSA-N -1 0 321.341 -0.406 20 0 DBADRM O=C(N[C@H]1C[C@@H](NCc2ncccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001022369404 664268320 /nfs/dbraw/zinc/26/83/20/664268320.db2.gz GOMKBKAZRYXIMU-OCAPTIKFSA-N -1 0 317.309 -0.877 20 0 DBADRM CN(Cc1ccon1)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000971869155 664282164 /nfs/dbraw/zinc/28/21/64/664282164.db2.gz IWHLYAPMIXFNTP-VIFPVBQESA-N -1 0 320.309 -0.383 20 0 DBADRM CCn1nncc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038233353 664293519 /nfs/dbraw/zinc/29/35/19/664293519.db2.gz FURINQMADDFWJY-MRVPVSSYSA-N -1 0 306.330 -0.874 20 0 DBADRM Cc1c[nH]nc1C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[nH]1 ZINC001038235505 664315945 /nfs/dbraw/zinc/31/59/45/664315945.db2.gz NBGFVSOVKFLPAB-VIFPVBQESA-N -1 0 305.342 -0.856 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(c2ccnc(N3CCOCC3)n2)CCO1 ZINC000910480735 674610979 /nfs/dbraw/zinc/61/09/79/674610979.db2.gz YNPUJWGVGNIYCB-AWEZNQCLSA-N -1 0 308.338 -0.007 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)NC[C@@H]1CCCS1 ZINC000910489814 674612383 /nfs/dbraw/zinc/61/23/83/674612383.db2.gz MVPPGNMACBEMHD-JTQLQIEISA-N -1 0 318.395 -0.052 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC000972150166 664341115 /nfs/dbraw/zinc/34/11/15/664341115.db2.gz HVZDWOALJAZYKG-JTQLQIEISA-N -1 0 306.326 -0.226 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC000972156604 664341421 /nfs/dbraw/zinc/34/14/21/664341421.db2.gz PHDDKQQBUXKPJJ-VHSXEESVSA-N -1 0 322.369 -0.836 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC000972174003 664344574 /nfs/dbraw/zinc/34/45/74/664344574.db2.gz WMKMHARSDJTNGK-RNCFNFMXSA-N -1 0 313.333 -0.328 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000910496714 674614373 /nfs/dbraw/zinc/61/43/73/674614373.db2.gz NRVCCFIMUPZNGR-JIHIYPPSSA-N -1 0 322.361 -0.152 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1C(=O)[O-] ZINC000910498429 674614591 /nfs/dbraw/zinc/61/45/91/674614591.db2.gz VVICFHQGOMCDLK-KPXOBLAASA-N -1 0 322.361 -0.152 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@H]2CC(=O)N(CC3CC3)C2)O[C@H]1C(=O)[O-] ZINC000910533849 674616202 /nfs/dbraw/zinc/61/62/02/674616202.db2.gz OOUQVHDLHNSCAX-IHXVIFPJSA-N -1 0 310.350 -0.008 20 0 DBADRM Cn1ncc(Cl)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 ZINC001022860605 664386701 /nfs/dbraw/zinc/38/67/01/664386701.db2.gz ZSPBZTWRMJSLKC-RNFRBKRXSA-N -1 0 322.699 -0.360 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000262191829 664395234 /nfs/dbraw/zinc/39/52/34/664395234.db2.gz IAMGKDMHPFSLLP-JTQLQIEISA-N -1 0 322.383 -0.688 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CCCC3)C2)c1[O-] ZINC001022877249 664395835 /nfs/dbraw/zinc/39/58/35/664395835.db2.gz CGZBOMKARRQGAA-GHMZBOCLSA-N -1 0 322.365 -0.085 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)[O-] ZINC000158416689 664409102 /nfs/dbraw/zinc/40/91/02/664409102.db2.gz LNIANUPOWRZXPP-SXMVTHIZSA-N -1 0 302.352 -0.344 20 0 DBADRM CCCC(=O)NCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000262220939 664409713 /nfs/dbraw/zinc/40/97/13/664409713.db2.gz LFSBMJZBJDHFOZ-VIFPVBQESA-N -1 0 301.343 -0.660 20 0 DBADRM COCCCNC(=O)[C@@H](C)N1CCN(c2cc(=O)[nH]cn2)CC1 ZINC000892328016 664416190 /nfs/dbraw/zinc/41/61/90/664416190.db2.gz SEELCDCSHREYTD-GFCCVEGCSA-N -1 0 323.397 -0.155 20 0 DBADRM O=C(N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O)c1ccccc1O ZINC001023080084 664438211 /nfs/dbraw/zinc/43/82/11/664438211.db2.gz PTYJUROPRDPRJW-DGCLKSJQSA-N -1 0 316.317 -0.269 20 0 DBADRM COCC[C@@H](NC(=O)CS(=O)(=O)C1CCCC1)C(=O)[O-] ZINC000262287050 664439906 /nfs/dbraw/zinc/43/99/06/664439906.db2.gz KLVYEMFBSJSTJC-SNVBAGLBSA-N -1 0 307.368 -0.050 20 0 DBADRM O=C([N-]NC(=O)[C@H]1CCS(=O)(=O)C1)c1cn2ccccc2n1 ZINC000052398715 664451548 /nfs/dbraw/zinc/45/15/48/664451548.db2.gz MBDSHEUQZNKXAS-VIFPVBQESA-N -1 0 322.346 -0.470 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000910755852 674639979 /nfs/dbraw/zinc/63/99/79/674639979.db2.gz OUYPUSHNZWMCCC-MDZLAQPJSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC12CCOCC2 ZINC000910756093 674640111 /nfs/dbraw/zinc/64/01/11/674640111.db2.gz BCIDPFARPFAGHS-QWRGUYRKSA-N -1 0 310.350 -0.005 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000910794087 674643495 /nfs/dbraw/zinc/64/34/95/674643495.db2.gz AVDQUKJTNNKBAB-YTWAJWBKSA-N -1 0 316.379 -0.411 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000910796430 674643540 /nfs/dbraw/zinc/64/35/40/674643540.db2.gz BIYYTZHTZZJMMH-KTSGXFQWSA-N -1 0 320.345 -0.303 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1CC(=O)[O-] ZINC000910857108 674648261 /nfs/dbraw/zinc/64/82/61/674648261.db2.gz LAHRLMYEPOWNOV-OPRDCNLKSA-N -1 0 304.368 -0.411 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N(C)CC(C)(CO)CO)cc1=O ZINC000935109955 664820770 /nfs/dbraw/zinc/82/07/70/664820770.db2.gz NBEVTZSPEBSVTK-UHFFFAOYSA-N -1 0 313.398 -0.176 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=CCCC3)C2)c1[O-] ZINC001023381819 664822171 /nfs/dbraw/zinc/82/21/71/664822171.db2.gz UFHRQFQZNICLNB-GHMZBOCLSA-N -1 0 320.349 -0.164 20 0 DBADRM O=C(NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@]12C[C@H]1COC2 ZINC001023383399 664822535 /nfs/dbraw/zinc/82/25/35/664822535.db2.gz UFGSRSKZQUWMSD-ZETOZRRWSA-N -1 0 321.381 -0.125 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccoc3)C[C@H]2O)c1[O-] ZINC001023411662 664824165 /nfs/dbraw/zinc/82/41/65/664824165.db2.gz GEJOAGQDCFLURH-NXEZZACHSA-N -1 0 320.305 -0.368 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3CC=CC3)C[C@H]2O)c1[O-] ZINC001023413778 664824246 /nfs/dbraw/zinc/82/42/46/664824246.db2.gz RKOOLPOQRLJZAN-GHMZBOCLSA-N -1 0 320.349 -0.309 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)/C=C/C3CC3)C[C@H]2O)c1[O-] ZINC001023413473 664824740 /nfs/dbraw/zinc/82/47/40/664824740.db2.gz KKTGEVOJBLLEMM-XKFHPXPTSA-N -1 0 320.349 -0.309 20 0 DBADRM O=C(Cn1cnc([N+](=O)[O-])n1)[N-]S(=O)(=O)N1CCCCC1 ZINC000052793766 664837003 /nfs/dbraw/zinc/83/70/03/664837003.db2.gz KCULRISASBKOMW-UHFFFAOYSA-N -1 0 318.315 -0.127 20 0 DBADRM O=C(NC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1)C1CCC1 ZINC000947577006 664843028 /nfs/dbraw/zinc/84/30/28/664843028.db2.gz FSAJWRSZJYLASX-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccncn1 ZINC001023655018 664848291 /nfs/dbraw/zinc/84/82/91/664848291.db2.gz CBHGNBBXDIDDAU-SNVBAGLBSA-N -1 0 317.353 -0.058 20 0 DBADRM O=C(NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ncccn1 ZINC001023662739 664848732 /nfs/dbraw/zinc/84/87/32/664848732.db2.gz OBBWYBJNNILYTD-SNVBAGLBSA-N -1 0 317.353 -0.058 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)COC)C(C)C ZINC000744243505 664852358 /nfs/dbraw/zinc/85/23/58/664852358.db2.gz TWHFNBYLGQVHGU-JTQLQIEISA-N -1 0 309.388 -0.914 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000744241771 664852362 /nfs/dbraw/zinc/85/23/62/664852362.db2.gz NQIWGJYODPZQBX-NSHDSACASA-N -1 0 317.411 -0.052 20 0 DBADRM CN(CC(N)=O)[C@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000972720634 664866721 /nfs/dbraw/zinc/86/67/21/664866721.db2.gz MLEBDOHTEUYWEW-QMMMGPOBSA-N -1 0 319.321 -0.440 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CC2(C)C)cn1 ZINC000972799682 664872415 /nfs/dbraw/zinc/87/24/15/664872415.db2.gz JFRWRANSSAFJJO-SNVBAGLBSA-N -1 0 319.369 -0.116 20 0 DBADRM Cn1cc(C(=O)NC[C@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001024421096 664887796 /nfs/dbraw/zinc/88/77/96/664887796.db2.gz ZOKRKSJFXHDIMX-SECBINFHSA-N -1 0 320.357 -0.577 20 0 DBADRM COc1cccc(OCC(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000002456425 664889195 /nfs/dbraw/zinc/88/91/95/664889195.db2.gz HSEBAHAKOCIQFC-UHFFFAOYSA-N -1 0 322.317 -0.171 20 0 DBADRM Cn1nccc1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001006893746 664889408 /nfs/dbraw/zinc/88/94/08/664889408.db2.gz KZHJJWJJZYMOFV-SECBINFHSA-N -1 0 305.342 -0.362 20 0 DBADRM CC(F)(F)C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000972891925 664889569 /nfs/dbraw/zinc/88/95/69/664889569.db2.gz VNQUMSWRDVTUIX-IZLXSQMJSA-N -1 0 319.268 -0.892 20 0 DBADRM CC(C)(F)C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000972890598 664889635 /nfs/dbraw/zinc/88/96/35/664889635.db2.gz RMKTVGRKMJXYDL-LJGSYFOKSA-N -1 0 315.305 -0.799 20 0 DBADRM C[C@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C1CCC1 ZINC001011363894 664889981 /nfs/dbraw/zinc/88/99/81/664889981.db2.gz KEZXWVYLGOPXNG-CBAPKCEASA-N -1 0 321.337 -0.198 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](NC(=O)c2ccco2)C1 ZINC000972903252 664890986 /nfs/dbraw/zinc/89/09/86/664890986.db2.gz VRXGVURZKWHPMK-ZKCHVHJHSA-N -1 0 321.293 -0.641 20 0 DBADRM O=C(NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)c1cn[nH]n1 ZINC001024527609 664894188 /nfs/dbraw/zinc/89/41/88/664894188.db2.gz XENIXIGCAIEEQD-QMMMGPOBSA-N -1 0 306.330 -0.587 20 0 DBADRM O=C(NC[C@@H]1CCCC[N@H+]1CCCO)c1n[nH]c(=O)[n-]c1=O ZINC001024532606 664894753 /nfs/dbraw/zinc/89/47/53/664894753.db2.gz KPYKJXHBFHSITQ-VIFPVBQESA-N -1 0 311.342 -0.751 20 0 DBADRM C[C@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)CC1 ZINC001024547167 664896875 /nfs/dbraw/zinc/89/68/75/664896875.db2.gz VLRDLGZPUFORHL-FPQZTECRSA-N -1 0 321.381 -0.068 20 0 DBADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024546364 664896914 /nfs/dbraw/zinc/89/69/14/664896914.db2.gz IMFWVWUOENYIGC-CNVPUSNMSA-N -1 0 321.381 -0.212 20 0 DBADRM CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)CC=CC1 ZINC001024547989 664897028 /nfs/dbraw/zinc/89/70/28/664897028.db2.gz MZNGBYPARYEHSP-GHMZBOCLSA-N -1 0 305.338 -0.538 20 0 DBADRM Cn1[nH]c(CN2CCCC[C@@H]2CNC(=O)c2cnco2)nc1=O ZINC001024582670 664900221 /nfs/dbraw/zinc/90/02/21/664900221.db2.gz BLJMXECIOOSUHA-SNVBAGLBSA-N -1 0 320.353 -0.119 20 0 DBADRM CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001024763957 664914702 /nfs/dbraw/zinc/91/47/02/664914702.db2.gz FPWOWPPEIZBTRB-RKDXNWHRSA-N -1 0 306.278 -0.750 20 0 DBADRM CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001024764040 664914829 /nfs/dbraw/zinc/91/48/29/664914829.db2.gz IHWOQMKSHSXHDZ-RKDXNWHRSA-N -1 0 320.305 -0.360 20 0 DBADRM CC1(CC(=O)N2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)CC1 ZINC001011596213 664963102 /nfs/dbraw/zinc/96/31/02/664963102.db2.gz STBUSKMEXOIILG-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM CCn1cc(CC(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)cn1 ZINC000936179807 664995371 /nfs/dbraw/zinc/99/53/71/664995371.db2.gz ZPNNOXGKFMJOLA-LLVKDONJSA-N -1 0 317.353 -0.406 20 0 DBADRM CC1CC(C(=O)N[C@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000973154392 664997260 /nfs/dbraw/zinc/99/72/60/664997260.db2.gz SUMYHIVNBUCWHC-CYBICODVSA-N -1 0 323.353 -0.501 20 0 DBADRM O=C(C=C1CCC1)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973158605 664998402 /nfs/dbraw/zinc/99/84/02/664998402.db2.gz PZPSINGESUYODU-KYZUINATSA-N -1 0 319.321 -0.230 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3cn(C)cn3)C2)c1[O-] ZINC000973167540 664999580 /nfs/dbraw/zinc/99/95/80/664999580.db2.gz NYQAMEITSSHMBD-KYZUINATSA-N -1 0 318.337 -0.152 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1[O-] ZINC000973178539 665001147 /nfs/dbraw/zinc/00/11/47/665001147.db2.gz PZFXTTBSWUGCEB-UFJGTKINSA-N -1 0 320.349 -0.307 20 0 DBADRM CCn1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3cn[nH]n3)C2)n1 ZINC000973268947 665018776 /nfs/dbraw/zinc/01/87/76/665018776.db2.gz PFCBLPPVSFEESA-KYZUINATSA-N -1 0 303.326 -0.288 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000911072343 674675086 /nfs/dbraw/zinc/67/50/86/674675086.db2.gz JGQDQZCFKPLZEQ-ADEWGFFLSA-N -1 0 312.366 -0.046 20 0 DBADRM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1)c1ccnn1C ZINC000973326210 665024317 /nfs/dbraw/zinc/02/43/17/665024317.db2.gz VKWMCRHSGGRTSQ-GUBZILKMSA-N -1 0 317.353 -0.281 20 0 DBADRM O=C(N[C@H]1C[C@H](NC(=O)[C@H]2CC23CC3)C1)c1n[nH]c(=O)[n-]c1=O ZINC000973476252 665040003 /nfs/dbraw/zinc/04/00/03/665040003.db2.gz RBBRQUXWZWKPDB-BWZBUEFSSA-N -1 0 319.321 -0.540 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973491001 665041375 /nfs/dbraw/zinc/04/13/75/665041375.db2.gz FIEIWWKOUGEHOX-UTINFBMNSA-N -1 0 323.353 -0.501 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCN2CCCS2(=O)=O)cn1 ZINC000262459783 665053865 /nfs/dbraw/zinc/05/38/65/665053865.db2.gz VPPWGGNNCIRIBL-UHFFFAOYSA-N -1 0 313.335 -0.455 20 0 DBADRM CC(=O)N1CCC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@H]21 ZINC000973693419 665058494 /nfs/dbraw/zinc/05/84/94/665058494.db2.gz IDCVPYGDMDWTDM-NXEZZACHSA-N -1 0 321.337 -0.244 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCN(C(=O)C2CC2)C1 ZINC000936318991 665068654 /nfs/dbraw/zinc/06/86/54/665068654.db2.gz MWUVBOKEUDTDBU-VIFPVBQESA-N -1 0 309.326 -0.841 20 0 DBADRM CCOC1CC(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1 ZINC001025766565 665084879 /nfs/dbraw/zinc/08/48/79/665084879.db2.gz CVDUKESJADEHHK-DZZVYXNESA-N -1 0 321.381 -0.128 20 0 DBADRM CO[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1 ZINC001025823632 665091209 /nfs/dbraw/zinc/09/12/09/665091209.db2.gz AQGYAZDUPWKMHY-OQEOFVATSA-N -1 0 321.381 -0.128 20 0 DBADRM CCC(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1(C)C ZINC001007738882 665092825 /nfs/dbraw/zinc/09/28/25/665092825.db2.gz INTAGPZFIJUKOT-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](NC(=O)C2CCCC2)C1 ZINC000973783591 665109296 /nfs/dbraw/zinc/10/92/96/665109296.db2.gz APJPRZCQBHXQMB-AOOOYVTPSA-N -1 0 323.353 -0.357 20 0 DBADRM CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013198472 665118846 /nfs/dbraw/zinc/11/88/46/665118846.db2.gz SDVUAIQTKJVQMN-UHFFFAOYSA-N -1 0 316.335 -0.201 20 0 DBADRM O=C(N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccco1 ZINC000973807442 665123343 /nfs/dbraw/zinc/12/33/43/665123343.db2.gz RKNCHJRIWVOAIA-KNVOCYPGSA-N -1 0 319.277 -0.433 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973823447 665128671 /nfs/dbraw/zinc/12/86/71/665128671.db2.gz AAPUVJCUPLYSOZ-HSNKUXOKSA-N -1 0 307.310 -0.684 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973823449 665128854 /nfs/dbraw/zinc/12/88/54/665128854.db2.gz AAPUVJCUPLYSOZ-OOJXKGFFSA-N -1 0 307.310 -0.684 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973828813 665130811 /nfs/dbraw/zinc/13/08/11/665130811.db2.gz QEAYKWPJGLPNPQ-MAUMQABQSA-N -1 0 309.326 -0.891 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnsn3)C2)c1[O-] ZINC000973909278 665141143 /nfs/dbraw/zinc/14/11/43/665141143.db2.gz USKYQCOGPHMIFU-KNVOCYPGSA-N -1 0 322.350 -0.034 20 0 DBADRM O=C(CC1CCOCC1)N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000973969771 665151073 /nfs/dbraw/zinc/15/10/73/665151073.db2.gz XFORKNRRMMRNQE-PHIMTYICSA-N -1 0 307.354 -0.002 20 0 DBADRM CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)cn1 ZINC000973969781 665151093 /nfs/dbraw/zinc/15/10/93/665151093.db2.gz SPLZPUOJFLHFJA-AOOOYVTPSA-N -1 0 303.326 -0.288 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)[N-]S(=O)(=O)C1(Cl)CC1 ZINC000893233908 665154217 /nfs/dbraw/zinc/15/42/17/665154217.db2.gz STGOJJYSAWLOPN-UHFFFAOYSA-N -1 0 301.773 -0.262 20 0 DBADRM O=C(N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1=CCCC1 ZINC000974021679 665156698 /nfs/dbraw/zinc/15/66/98/665156698.db2.gz QEJXDJZNRCNDCV-DTORHVGOSA-N -1 0 319.321 -0.230 20 0 DBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)C2(Cl)CC2)CC1=O ZINC000893241893 665157029 /nfs/dbraw/zinc/15/70/29/665157029.db2.gz JZBZGPWEUYPDLG-MRVPVSSYSA-N -1 0 324.786 -0.344 20 0 DBADRM CN(CC(=O)[N-]O[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000725897770 665186678 /nfs/dbraw/zinc/18/66/78/665186678.db2.gz HLEWBLYWFGVMBF-PWSUYJOCSA-N -1 0 306.384 -0.320 20 0 DBADRM CN(CC(=O)[N-]O[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000725897773 665186749 /nfs/dbraw/zinc/18/67/49/665186749.db2.gz HLEWBLYWFGVMBF-ZYHUDNBSSA-N -1 0 306.384 -0.320 20 0 DBADRM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1)c1cncnc1 ZINC000974297601 665189071 /nfs/dbraw/zinc/18/90/71/665189071.db2.gz ZVBSMJKCXLITCY-IEBDPFPHSA-N -1 0 315.337 -0.225 20 0 DBADRM CCN(C(=O)c1ncccc1O)C1CN([C@@H]2CCNC2=O)C1 ZINC000949948518 665193092 /nfs/dbraw/zinc/19/30/92/665193092.db2.gz QSRNMQNFKNAPKC-LLVKDONJSA-N -1 0 304.350 -0.178 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N(CCO)CCN1CCOCC1 ZINC000911238879 674693691 /nfs/dbraw/zinc/69/36/91/674693691.db2.gz CNCPORJMAMYDHP-LBPRGKRZSA-N -1 0 302.371 -0.504 20 0 DBADRM Cn1cncc1C(=O)N1CC[C@@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001026942168 665245999 /nfs/dbraw/zinc/24/59/99/665245999.db2.gz CJXDHJCQLWGQBE-VIFPVBQESA-N -1 0 305.342 -0.504 20 0 DBADRM O=C(Cc1ncc[nH]1)N1CC[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001027141280 665277486 /nfs/dbraw/zinc/27/74/86/665277486.db2.gz XYBKIIHUEPAJDL-SECBINFHSA-N -1 0 305.342 -0.586 20 0 DBADRM O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ncc[nH]1)c1cn[nH]n1 ZINC000976633565 665377300 /nfs/dbraw/zinc/37/73/00/665377300.db2.gz HKOFIDHIMFFMAE-RKDXNWHRSA-N -1 0 303.326 -0.001 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC001027428649 665394035 /nfs/dbraw/zinc/39/40/35/665394035.db2.gz ZURLFICZIFPCSM-JTQLQIEISA-N -1 0 320.357 -0.775 20 0 DBADRM C[C@H]1C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]n2)CCO1 ZINC000976809734 665395173 /nfs/dbraw/zinc/39/51/73/665395173.db2.gz GRBRUPIFOIUCGT-VLLVSFFDSA-N -1 0 319.365 -0.194 20 0 DBADRM Cc1conc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000976811055 665395309 /nfs/dbraw/zinc/39/53/09/665395309.db2.gz MDNSEQLRENYXFE-VROVMSAKSA-N -1 0 302.294 -0.398 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnco2)c1[O-] ZINC000976884134 665401943 /nfs/dbraw/zinc/40/19/43/665401943.db2.gz OBHHZJUVQSDSPT-MBTKJCJQSA-N -1 0 317.305 -0.088 20 0 DBADRM CCO[C@H]1[C@H](C(=O)N(CCN2CCOCC2)CC(=O)[O-])[C@@H]1C ZINC000911364217 674709999 /nfs/dbraw/zinc/70/99/99/674709999.db2.gz IMSHFPZOOWYMCK-IACUBPJLSA-N -1 0 314.382 -0.097 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)Cc3ccn(C)n3)C2)c1[O-] ZINC000991323116 674714864 /nfs/dbraw/zinc/71/48/64/674714864.db2.gz ZRJSQNRSVJCCEK-UHFFFAOYSA-N -1 0 318.337 -0.659 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000911448321 674724016 /nfs/dbraw/zinc/72/40/16/674724016.db2.gz UKUYGPUYVBSVJL-JVXZTZIISA-N -1 0 312.351 -0.225 20 0 DBADRM C[C@H]1COC[C@H]1NC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000911422444 674724806 /nfs/dbraw/zinc/72/48/06/674724806.db2.gz RKWLYLQVTGQTSD-OHBODLIOSA-N -1 0 310.350 -0.293 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC000911641086 674742294 /nfs/dbraw/zinc/74/22/94/674742294.db2.gz YZKXKIGJWCVGID-UTLUCORTSA-N -1 0 302.352 -0.656 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC000911641081 674742298 /nfs/dbraw/zinc/74/22/98/674742298.db2.gz YZKXKIGJWCVGID-BBBLOLIVSA-N -1 0 302.352 -0.656 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N(C)CC2(O)CCOCC2)O[C@H]1C(=O)[O-] ZINC000911676997 674744355 /nfs/dbraw/zinc/74/43/55/674744355.db2.gz PFHHMPCLWSWGBP-GMTAPVOTSA-N -1 0 301.339 -0.136 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000911741102 674746665 /nfs/dbraw/zinc/74/66/65/674746665.db2.gz GUVITHZFSNAYQS-NXEZZACHSA-N -1 0 306.384 -0.020 20 0 DBADRM CC(C)(C)C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001011736374 674761029 /nfs/dbraw/zinc/76/10/29/674761029.db2.gz FDASKHNJHIDLFZ-UHFFFAOYSA-N -1 0 309.326 -0.387 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000912558944 674777158 /nfs/dbraw/zinc/77/71/58/674777158.db2.gz TUARYKUSSUZKTJ-SSDOTTSWSA-N -1 0 303.296 -0.566 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000912558512 674777462 /nfs/dbraw/zinc/77/74/62/674777462.db2.gz OREHGQLLHGDNBS-QMMMGPOBSA-N -1 0 317.323 -0.176 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC(C(=O)[O-])C1 ZINC000912559258 674777631 /nfs/dbraw/zinc/77/76/31/674777631.db2.gz WUYLLAKMMIOLCZ-UHFFFAOYSA-N -1 0 303.296 -0.790 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C3CC3)C[C@@H]2O)c1[O-] ZINC000991394403 674782396 /nfs/dbraw/zinc/78/23/96/674782396.db2.gz TVLDOPKLZIATIF-UWVGGRQHSA-N -1 0 308.338 -0.475 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000991411720 674787094 /nfs/dbraw/zinc/78/70/94/674787094.db2.gz QZOUANZSBQPUJP-HTQZYQBOSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H]1CC[C@H](C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000991411466 674787348 /nfs/dbraw/zinc/78/73/48/674787348.db2.gz QEPBNJGYRZJMTR-IUCAKERBSA-N -1 0 323.353 -0.548 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000803002455 674798204 /nfs/dbraw/zinc/79/82/04/674798204.db2.gz YGGSIIFBZXUIPV-UWVGGRQHSA-N -1 0 306.384 -0.226 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1ncccn1)c1cnc[nH]c1=O ZINC001038388358 674801070 /nfs/dbraw/zinc/80/10/70/674801070.db2.gz ZNGHOTALJSPIEH-SNVBAGLBSA-N -1 0 300.322 -0.024 20 0 DBADRM C[C@H](C(=O)N1CCOC[C@H]1c1nnn[n-]1)N1CCSCC1 ZINC000913495626 674801086 /nfs/dbraw/zinc/80/10/86/674801086.db2.gz MEESSYKDIOZPQC-ZJUUUORDSA-N -1 0 312.399 -0.463 20 0 DBADRM O=C([C@H]1CSCCS1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC000913495583 674801128 /nfs/dbraw/zinc/80/11/28/674801128.db2.gz LNDZNLQLKOQVDA-HTQZYQBOSA-N -1 0 301.397 -0.052 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCN(Cc2cncs2)CC1 ZINC000913408927 674799904 /nfs/dbraw/zinc/79/99/04/674799904.db2.gz ISRMCNPVMNFEIU-UHFFFAOYSA-N -1 0 307.383 -0.067 20 0 DBADRM C[C@@H](C(=O)N1CCOC[C@@H]1c1nnn[n-]1)N1CCSCC1 ZINC000913495625 674801168 /nfs/dbraw/zinc/80/11/68/674801168.db2.gz MEESSYKDIOZPQC-VHSXEESVSA-N -1 0 312.399 -0.463 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C3(C)CC3)[C@H](O)C2)c1[O-] ZINC000991512958 674808002 /nfs/dbraw/zinc/80/80/02/674808002.db2.gz GQYYFKIOKJGBLE-NXEZZACHSA-N -1 0 322.365 -0.085 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001011848468 674813490 /nfs/dbraw/zinc/81/34/90/674813490.db2.gz FIJVNGOBLWHQSP-ZJUUUORDSA-N -1 0 323.353 -0.594 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)Cc2ncc[nH]2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947860842 674810080 /nfs/dbraw/zinc/81/00/80/674810080.db2.gz AJIIGNKQYLAOTK-NXEZZACHSA-N -1 0 319.369 -0.055 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]NC(=O)C(C)C)cc1C(N)=O ZINC000032082852 674811909 /nfs/dbraw/zinc/81/19/09/674811909.db2.gz DLRJYXPXUMADOU-UHFFFAOYSA-N -1 0 315.351 -0.240 20 0 DBADRM CC(F)(F)C(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001030053610 674814334 /nfs/dbraw/zinc/81/43/34/674814334.db2.gz BIGYMRNRFSAIKU-UHFFFAOYSA-N -1 0 311.292 -0.022 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]NC(=O)NC ZINC000057124749 674823202 /nfs/dbraw/zinc/82/32/02/674823202.db2.gz ZFWDGEJKFHRTLG-UHFFFAOYSA-N -1 0 305.316 -0.983 20 0 DBADRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]NC(=O)NC)c1 ZINC000057124752 674823531 /nfs/dbraw/zinc/82/35/31/674823531.db2.gz KIJFVUOQXXSBAQ-UHFFFAOYSA-N -1 0 312.351 -0.275 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001011878150 674843646 /nfs/dbraw/zinc/84/36/46/674843646.db2.gz ZDBDQWQJSYZRGU-VXNVDRBHSA-N -1 0 309.326 -0.659 20 0 DBADRM CCn1nc(C)c(CN2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001030222007 674846667 /nfs/dbraw/zinc/84/66/67/674846667.db2.gz BZQMFDOKMGSRGM-UHFFFAOYSA-N -1 0 319.369 -0.042 20 0 DBADRM CC(C)=CC(=O)N1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000991664807 674861378 /nfs/dbraw/zinc/86/13/78/674861378.db2.gz HEFLAMRRLFOWBT-UHFFFAOYSA-N -1 0 315.333 -0.071 20 0 DBADRM Cc1cnccc1CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030319135 674863540 /nfs/dbraw/zinc/86/35/40/674863540.db2.gz XQHKOYUBMAZJEK-UHFFFAOYSA-N -1 0 302.338 -0.243 20 0 DBADRM Cn1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c(C2CC2)n1 ZINC001030379736 674874068 /nfs/dbraw/zinc/87/40/68/674874068.db2.gz LYIULPIIYOIXDI-UHFFFAOYSA-N -1 0 317.353 -0.265 20 0 DBADRM CCOc1ccc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001030398149 674879210 /nfs/dbraw/zinc/87/92/10/674879210.db2.gz YECZZSIMBKMJKW-UHFFFAOYSA-N -1 0 318.337 -0.082 20 0 DBADRM CC(C)[C@H]1OCC[C@H]1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030419770 674886485 /nfs/dbraw/zinc/88/64/85/674886485.db2.gz ZYOJCUVZLMWWGL-ZYHUDNBSSA-N -1 0 309.370 -0.128 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(=O)OC)ccn1 ZINC000842311157 674889569 /nfs/dbraw/zinc/88/95/69/674889569.db2.gz SIIYXLSHFYGSNW-QMMMGPOBSA-N -1 0 316.335 -0.037 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001030473371 674893912 /nfs/dbraw/zinc/89/39/12/674893912.db2.gz QTUOODOXVWEPHW-RKDXNWHRSA-N -1 0 303.326 -0.663 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc2nc[nH]c2n1 ZINC001030505549 674898224 /nfs/dbraw/zinc/89/82/24/674898224.db2.gz IHHFZRPZBIYGDA-UHFFFAOYSA-N -1 0 314.309 -0.604 20 0 DBADRM Cc1cn(C(C)(C)C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001030513953 674899052 /nfs/dbraw/zinc/89/90/52/674899052.db2.gz ASNZRZQZFSPMNJ-UHFFFAOYSA-N -1 0 319.369 -0.249 20 0 DBADRM CC[C@H](CNS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC000087497969 674901773 /nfs/dbraw/zinc/90/17/73/674901773.db2.gz NZPZJHUAGRVASX-SECBINFHSA-N -1 0 322.383 -0.183 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1CCNC(=O)CC1 ZINC001038563392 674902258 /nfs/dbraw/zinc/90/22/58/674902258.db2.gz OTPGWKBDCTUANS-UWVGGRQHSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(Cc1ccc(F)cn1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030543336 674902359 /nfs/dbraw/zinc/90/23/59/674902359.db2.gz YNMUPIMUNXDJBZ-UHFFFAOYSA-N -1 0 306.301 -0.413 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCn2ccnc2C1 ZINC001030553993 674904743 /nfs/dbraw/zinc/90/47/43/674904743.db2.gz HOYFUHUVOJFHGT-SECBINFHSA-N -1 0 317.353 -0.730 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cn2cccnc2n1 ZINC001030606787 674911665 /nfs/dbraw/zinc/91/16/65/674911665.db2.gz VDVCKXOMSIQTTB-UHFFFAOYSA-N -1 0 314.309 -0.833 20 0 DBADRM Cc1csc(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001030616963 674913097 /nfs/dbraw/zinc/91/30/97/674913097.db2.gz QOMVJTHWJWTPHE-UHFFFAOYSA-N -1 0 322.350 -0.338 20 0 DBADRM Cc1nnc(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)s1 ZINC001030616672 674913136 /nfs/dbraw/zinc/91/31/36/674913136.db2.gz FHCWWQXBPSKVPW-UHFFFAOYSA-N -1 0 323.338 -0.943 20 0 DBADRM Cc1ncc(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)s1 ZINC001030616863 674913141 /nfs/dbraw/zinc/91/31/41/674913141.db2.gz MJOJVNIYPJQQEF-UHFFFAOYSA-N -1 0 322.350 -0.338 20 0 DBADRM CCn1ccc(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001030617080 674913198 /nfs/dbraw/zinc/91/31/98/674913198.db2.gz WGDQUOOQBWUYJG-UHFFFAOYSA-N -1 0 319.325 -0.887 20 0 DBADRM Cc1nnsc1CN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030616628 674913223 /nfs/dbraw/zinc/91/32/23/674913223.db2.gz CDCFYQJUNOWJOC-UHFFFAOYSA-N -1 0 323.338 -0.943 20 0 DBADRM O=C(NC1CN(CC[C@H]2CCCCO2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030615992 674913232 /nfs/dbraw/zinc/91/32/32/674913232.db2.gz BFJCMIAWYPRKLY-SNVBAGLBSA-N -1 0 323.353 -0.344 20 0 DBADRM O=C(NC1CN(CCC[C@@H]2CCOC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030617221 674913302 /nfs/dbraw/zinc/91/33/02/674913302.db2.gz ZTGGQIPDFFUKER-SECBINFHSA-N -1 0 323.353 -0.487 20 0 DBADRM Cc1nc([C@@H](C)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)no1 ZINC001030617023 674913555 /nfs/dbraw/zinc/91/35/55/674913555.db2.gz SVRREHPPWYWPOI-RXMQYKEDSA-N -1 0 321.297 -0.851 20 0 DBADRM O=C(NC1CN(C[C@H]2CCCCO2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030618614 674913806 /nfs/dbraw/zinc/91/38/06/674913806.db2.gz OEVZNNYNCOYQMK-SECBINFHSA-N -1 0 309.326 -0.734 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1Cc2ccccc2O1 ZINC001030637656 674916639 /nfs/dbraw/zinc/91/66/39/674916639.db2.gz XRIVVMYBXFTDHH-LBPRGKRZSA-N -1 0 315.333 -0.186 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)c1cnc[nH]c1=O)[C@H]1CCCO1 ZINC000948878739 674921570 /nfs/dbraw/zinc/92/15/70/674921570.db2.gz BHVPHLKWJUBPDZ-MWLCHTKSSA-N -1 0 306.322 -0.308 20 0 DBADRM CCc1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c(C)nn1 ZINC001030739799 674934670 /nfs/dbraw/zinc/93/46/70/674934670.db2.gz QCPSGKDISMPDQY-UHFFFAOYSA-N -1 0 317.353 -0.215 20 0 DBADRM CCC(=O)N1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001015096917 674979873 /nfs/dbraw/zinc/97/98/73/674979873.db2.gz BKRQDQRAJGBQLZ-YUMQZZPRSA-N -1 0 309.326 -0.198 20 0 DBADRM Cc1nnccc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015121027 674990375 /nfs/dbraw/zinc/99/03/75/674990375.db2.gz SAJNWEYVRWXPRF-SECBINFHSA-N -1 0 303.326 -0.387 20 0 DBADRM O=C(N[C@H]1CCN(Cc2ccns2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015122143 674990386 /nfs/dbraw/zinc/99/03/86/674990386.db2.gz YKVOGDMZESRIKF-ZETCQYMHSA-N -1 0 322.350 -0.256 20 0 DBADRM O=C(N[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)c1cnon1 ZINC000992339654 674993436 /nfs/dbraw/zinc/99/34/36/674993436.db2.gz DNXHKZXPWWOKSZ-RNCFNFMXSA-N -1 0 319.325 -0.180 20 0 DBADRM O=C(N[C@@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)c1cnon1 ZINC000992339648 674993640 /nfs/dbraw/zinc/99/36/40/674993640.db2.gz DNXHKZXPWWOKSZ-NOZJJQNGSA-N -1 0 319.325 -0.180 20 0 DBADRM Cc1cc(=O)[nH]cc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030936980 675002137 /nfs/dbraw/zinc/00/21/37/675002137.db2.gz YROZBNGWICKSKX-UHFFFAOYSA-N -1 0 304.310 -0.466 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000913977105 675014449 /nfs/dbraw/zinc/01/44/49/675014449.db2.gz GKVBXMIMKSALSY-PHIMTYICSA-N -1 0 316.402 -0.149 20 0 DBADRM O=S(=O)(N[C@@H](CO)c1cc(F)ccc1F)[C@@H]1COC[C@H]1O ZINC000914146812 675023725 /nfs/dbraw/zinc/02/37/25/675023725.db2.gz AFINUJJZMYZVKE-QJPTWQEYSA-N -1 0 323.317 -0.323 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000914158061 675023887 /nfs/dbraw/zinc/02/38/87/675023887.db2.gz IHUPFFBJBJBGGO-QMMMGPOBSA-N -1 0 312.292 -0.153 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc(C2CC2)no1 ZINC001031031015 675026386 /nfs/dbraw/zinc/02/63/86/675026386.db2.gz OIZXXTCNYFRQBL-UHFFFAOYSA-N -1 0 304.310 -0.010 20 0 DBADRM Cc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)nn1-c1ccccc1 ZINC000753944595 675027226 /nfs/dbraw/zinc/02/72/26/675027226.db2.gz AJPKTPIJVKSDEO-UHFFFAOYSA-N -1 0 322.346 -0.274 20 0 DBADRM CSc1nc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n[nH]1 ZINC000730539419 675039040 /nfs/dbraw/zinc/03/90/40/675039040.db2.gz DVLLFEZEQOCBNN-UHFFFAOYSA-N -1 0 306.311 -0.450 20 0 DBADRM CN(CC(=O)OC(C)(C)C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730543784 675039145 /nfs/dbraw/zinc/03/91/45/675039145.db2.gz LUIWZNIGARIMRL-UHFFFAOYSA-N -1 0 321.337 -0.129 20 0 DBADRM C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)NC(C)(C)C ZINC000730534028 675038263 /nfs/dbraw/zinc/03/82/63/675038263.db2.gz PKIFDHOLGJEWCL-MRVPVSSYSA-N -1 0 320.353 -0.509 20 0 DBADRM Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031115774 675041059 /nfs/dbraw/zinc/04/10/59/675041059.db2.gz PDBWCRPYFVQSNG-SSDOTTSWSA-N -1 0 319.369 -0.046 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc2c(c1)C(=O)NC2 ZINC000730588039 675041066 /nfs/dbraw/zinc/04/10/66/675041066.db2.gz FSCYTDJZVXQOTH-UHFFFAOYSA-N -1 0 324.300 -0.047 20 0 DBADRM Cc1n[nH]c(C)c1[C@H](C)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031115775 675041139 /nfs/dbraw/zinc/04/11/39/675041139.db2.gz PDBWCRPYFVQSNG-ZETCQYMHSA-N -1 0 319.369 -0.046 20 0 DBADRM CC(C)(C)OC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730658181 675045790 /nfs/dbraw/zinc/04/57/90/675045790.db2.gz RFEYGNRVBDWXPG-UHFFFAOYSA-N -1 0 308.294 -0.044 20 0 DBADRM Cn1ccc(C(=O)COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1 ZINC000730659697 675045859 /nfs/dbraw/zinc/04/58/59/675045859.db2.gz YQZRRUVUIZSRGE-UHFFFAOYSA-N -1 0 315.289 -0.164 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)[N-]OCC(C)(C)O)C1 ZINC000834618642 675046953 /nfs/dbraw/zinc/04/69/53/675046953.db2.gz XQNDRODHUUJJBM-UHFFFAOYSA-N -1 0 304.343 -0.213 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn(C(F)F)c1 ZINC001031149650 675050027 /nfs/dbraw/zinc/05/00/27/675050027.db2.gz OCHVDCMDPQLZJV-UHFFFAOYSA-N -1 0 313.268 -0.284 20 0 DBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000730922138 675055896 /nfs/dbraw/zinc/05/58/96/675055896.db2.gz SOKRQYWCYAZEIQ-UHFFFAOYSA-N -1 0 310.397 -0.261 20 0 DBADRM C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)OC(C)(C)C ZINC000731009856 675056841 /nfs/dbraw/zinc/05/68/41/675056841.db2.gz LRPSISASWPLTDA-MRVPVSSYSA-N -1 0 321.337 -0.082 20 0 DBADRM CN(C(=O)c1cnc[nH]c1=O)[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000936874888 670514590 /nfs/dbraw/zinc/51/45/90/670514590.db2.gz VJWZWSJLNPBOSN-GHMZBOCLSA-N -1 0 320.349 -0.108 20 0 DBADRM CCCC(=O)N1CC[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000982369075 670527758 /nfs/dbraw/zinc/52/77/58/670527758.db2.gz MJQGSTAIWPIGQF-SNVBAGLBSA-N -1 0 322.365 -0.136 20 0 DBADRM O=C(c1cccnn1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000982373987 670532155 /nfs/dbraw/zinc/53/21/55/670532155.db2.gz YEJRZRTVYBZZKL-UHFFFAOYSA-N -1 0 303.326 -0.352 20 0 DBADRM CC(C)=CC(=O)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982397375 670540944 /nfs/dbraw/zinc/54/09/44/670540944.db2.gz CJABKHVHFLGCEH-SECBINFHSA-N -1 0 321.337 -0.173 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2[C@@H]2CCC(=O)NC2=O)c1[O-] ZINC001038165182 670568545 /nfs/dbraw/zinc/56/85/45/670568545.db2.gz NYSHRNMSLVYWIJ-DTWKUNHWSA-N -1 0 321.337 -0.967 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000937072770 670718057 /nfs/dbraw/zinc/71/80/57/670718057.db2.gz DHZWEYSZIGAJNU-USYJTPIQSA-N -1 0 321.337 -0.078 20 0 DBADRM O=C(NC[C@H]1CN2CCN1CC2)c1n[n-]c2ccccc2c1=O ZINC000178722725 670752859 /nfs/dbraw/zinc/75/28/59/670752859.db2.gz XULWOBGXIDMRAU-NSHDSACASA-N -1 0 313.361 -0.347 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001028428843 670757877 /nfs/dbraw/zinc/75/78/77/670757877.db2.gz GSFVNONBCMFPSN-VIFPVBQESA-N -1 0 305.342 -0.206 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC ZINC000788042960 677351660 /nfs/dbraw/zinc/35/16/60/677351660.db2.gz ROTHVMKPIOQTJK-IUCAKERBSA-N -1 0 322.383 -0.454 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cccc(=O)[nH]1 ZINC001028464177 670800728 /nfs/dbraw/zinc/80/07/28/670800728.db2.gz MJMGITBCOJTTTF-VIFPVBQESA-N -1 0 318.337 -0.137 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)C(=O)c3cn[nH]n3)C2)c1[O-] ZINC000937165376 670803111 /nfs/dbraw/zinc/80/31/11/670803111.db2.gz GJLXFNLKRDEJIV-MRVPVSSYSA-N -1 0 319.325 -0.471 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN(Cc3nnnn3C)C2)c1[O-] ZINC001028485018 670807562 /nfs/dbraw/zinc/80/75/62/670807562.db2.gz HOZYNVFXFGUSRT-SECBINFHSA-N -1 0 320.357 -0.801 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)[C@H]2COCCO2)cc1 ZINC000261728062 670815672 /nfs/dbraw/zinc/81/56/72/670815672.db2.gz QWLKIDSPYQEXEP-LLVKDONJSA-N -1 0 308.290 -0.145 20 0 DBADRM CCn1nncc1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028525422 670831473 /nfs/dbraw/zinc/83/14/73/670831473.db2.gz GQTIGADZNOLNPA-SECBINFHSA-N -1 0 320.357 -0.626 20 0 DBADRM Cc1ccc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001028535369 670832604 /nfs/dbraw/zinc/83/26/04/670832604.db2.gz SWCSNOJMFFJEPH-JTQLQIEISA-N -1 0 317.353 -0.139 20 0 DBADRM NC(=O)COc1cccc(C(=O)[N-]S(=O)(=O)CCCF)c1 ZINC000747131685 670868036 /nfs/dbraw/zinc/86/80/36/670868036.db2.gz WNZLXSPSLORNRV-UHFFFAOYSA-N -1 0 318.326 -0.030 20 0 DBADRM C[C@@H]1OCC[C@@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000982826236 670883223 /nfs/dbraw/zinc/88/32/23/670883223.db2.gz MPINCDSDJPDFQW-QWRGUYRKSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3cn[nH]n3)C2)c1[O-] ZINC000982963897 670907455 /nfs/dbraw/zinc/90/74/55/670907455.db2.gz NZVUVQRRBYBSMR-MRVPVSSYSA-N -1 0 319.325 -0.566 20 0 DBADRM CC(=O)NC[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000982970271 670909346 /nfs/dbraw/zinc/90/93/46/670909346.db2.gz UHWPAKYAPZUKFY-VIFPVBQESA-N -1 0 309.326 -0.800 20 0 DBADRM Cc1nnccc1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028663905 670925434 /nfs/dbraw/zinc/92/54/34/670925434.db2.gz YUZLBVLMWCHPJZ-SNVBAGLBSA-N -1 0 317.353 -0.139 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000983063378 670937683 /nfs/dbraw/zinc/93/76/83/670937683.db2.gz YRMRPAVDRHGDFM-AEJSXWLSSA-N -1 0 323.353 -0.690 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C(F)F ZINC001012120643 670968013 /nfs/dbraw/zinc/96/80/13/670968013.db2.gz HAMHTDYTPJWPHD-RFZPGFLSSA-N -1 0 317.252 -0.733 20 0 DBADRM COc1nc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001028716571 670986051 /nfs/dbraw/zinc/98/60/51/670986051.db2.gz BGZXZNLXSMKFHA-QMMMGPOBSA-N -1 0 322.325 -0.241 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1cccn1 ZINC000788044418 677357846 /nfs/dbraw/zinc/35/78/46/677357846.db2.gz RLXIAFZTHGELAR-NXEZZACHSA-N -1 0 317.367 -0.083 20 0 DBADRM Cc1cnn(C)c1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028746462 671019668 /nfs/dbraw/zinc/01/96/68/671019668.db2.gz CXVOQWVODXDUCD-JTQLQIEISA-N -1 0 319.369 -0.196 20 0 DBADRM Cn1cc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]c1=O ZINC001028783520 671045469 /nfs/dbraw/zinc/04/54/69/671045469.db2.gz PVNDHUVWJJTYGI-MRVPVSSYSA-N -1 0 321.341 -0.799 20 0 DBADRM CCn1ccc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001028845520 671068418 /nfs/dbraw/zinc/06/84/18/671068418.db2.gz LUCNSRFMHBJMMW-JTQLQIEISA-N -1 0 319.369 -0.021 20 0 DBADRM CCC(=O)N[C@H]1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000983372450 671095592 /nfs/dbraw/zinc/09/55/92/671095592.db2.gz AORZPACMLMELGW-IUCAKERBSA-N -1 0 311.342 -0.357 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCC[C@@H](NC(=O)C2CC2)C1 ZINC000983407894 671131048 /nfs/dbraw/zinc/13/10/48/671131048.db2.gz QXGHQMMKRDAWCW-VHSXEESVSA-N -1 0 323.353 -0.357 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCC[C@@H](NC(=O)C2CC2)C1 ZINC000983407891 671131505 /nfs/dbraw/zinc/13/15/05/671131505.db2.gz QXGHQMMKRDAWCW-NXEZZACHSA-N -1 0 323.353 -0.357 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)NCC(=O)NC1CC1 ZINC000048665506 671180087 /nfs/dbraw/zinc/18/00/87/671180087.db2.gz YZZLTYIDTVAOGX-UHFFFAOYSA-N -1 0 306.775 -0.061 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nc(=O)n(C)[nH]1 ZINC001029198725 671272119 /nfs/dbraw/zinc/27/21/19/671272119.db2.gz VTGBQHGQMWYGJG-WYUUTHIRSA-N -1 0 305.382 -0.060 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(=O)c1 ZINC000909420066 671272147 /nfs/dbraw/zinc/27/21/47/671272147.db2.gz HXGGEGIKWNXJMT-ABAIWWIYSA-N -1 0 308.334 -0.159 20 0 DBADRM CC(C)[C@@H](O)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000909426458 671283645 /nfs/dbraw/zinc/28/36/45/671283645.db2.gz GWBSGOUJFZIRHR-CMPLNLGQSA-N -1 0 300.355 -0.215 20 0 DBADRM Cn1cnc(=NC(=O)C(=O)N[C@H]2CCc3ccccc3OC2)[n-]1 ZINC000340427887 671282025 /nfs/dbraw/zinc/28/20/25/671282025.db2.gz WYPMWGIUCPMLRY-NSHDSACASA-N -1 0 315.333 -0.315 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)[C@](C)(O)C1CC1 ZINC000909426232 671283981 /nfs/dbraw/zinc/28/39/81/671283981.db2.gz GGNFKYVTCQTTBI-MEBBXXQBSA-N -1 0 312.366 -0.071 20 0 DBADRM Cc1ccnn1CC(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000909428746 671286098 /nfs/dbraw/zinc/28/60/98/671286098.db2.gz WXBSAZHCFZVUGM-GFCCVEGCSA-N -1 0 322.365 -0.027 20 0 DBADRM O=C(Cc1cc[nH]n1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029252158 671288633 /nfs/dbraw/zinc/28/86/33/671288633.db2.gz HLGMQGKEQQFUEK-PHIMTYICSA-N -1 0 317.353 -0.349 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C(F)(F)F ZINC000262115769 671300542 /nfs/dbraw/zinc/30/05/42/671300542.db2.gz FQAQXEBRUWJGSI-PHDIDXHHSA-N -1 0 323.227 -0.740 20 0 DBADRM COC(=O)[C@H]1C[C@H]1C(=O)NCc1nc(CNC(C)=O)cc(=O)[nH]1 ZINC000984126414 671323182 /nfs/dbraw/zinc/32/31/82/671323182.db2.gz WXPBXEAEROIFPY-ZJUUUORDSA-N -1 0 322.321 -0.756 20 0 DBADRM CC(=O)NCc1nc(CNC(=O)c2cc(C)nn2C)cc(=O)[nH]1 ZINC000984126251 671323524 /nfs/dbraw/zinc/32/35/24/671323524.db2.gz LNYYNYDWSGTUQP-UHFFFAOYSA-N -1 0 318.337 -0.210 20 0 DBADRM CC[C@@H]1[C@@H](NC(C)=O)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000984371265 671344473 /nfs/dbraw/zinc/34/44/73/671344473.db2.gz BHXFERYTCUOEAR-WDEREUQCSA-N -1 0 308.338 -0.385 20 0 DBADRM CN(C(=O)C1CC1)[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000984448731 671350690 /nfs/dbraw/zinc/35/06/90/671350690.db2.gz AKRSYQPETDZHEG-JTQLQIEISA-N -1 0 323.353 -0.451 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000732522915 677363836 /nfs/dbraw/zinc/36/38/36/677363836.db2.gz IZABGOAUAYMQCY-UHFFFAOYSA-N -1 0 314.319 -0.277 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)nc1Cl ZINC000795354991 671362673 /nfs/dbraw/zinc/36/26/73/671362673.db2.gz YGAWZLMFHBZOLM-UHFFFAOYSA-N -1 0 304.719 -0.304 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000896701180 671422934 /nfs/dbraw/zinc/42/29/34/671422934.db2.gz ADFFBUOWSPOXNJ-QWRGUYRKSA-N -1 0 301.343 -0.499 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1C(=O)CC(N)=O ZINC000984779819 671424760 /nfs/dbraw/zinc/42/47/60/671424760.db2.gz RDIOZEMCYJCECL-DTWKUNHWSA-N -1 0 323.353 -0.592 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000262354410 671440287 /nfs/dbraw/zinc/44/02/87/671440287.db2.gz BPWJJFNUIILTSE-SNVBAGLBSA-N -1 0 306.384 -0.019 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@@]1(O)CCSC1 ZINC000866908702 671454393 /nfs/dbraw/zinc/45/43/93/671454393.db2.gz NWMQNLZILRVZAV-VIFPVBQESA-N -1 0 314.454 -0.049 20 0 DBADRM C[C@](O)(CNC(=O)CCNC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000262446500 671455465 /nfs/dbraw/zinc/45/54/65/671455465.db2.gz DGVUYZZNXQNOGJ-AWEZNQCLSA-N -1 0 312.297 -0.103 20 0 DBADRM Cn1[n-]nnc1=N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897224263 671460327 /nfs/dbraw/zinc/46/03/27/671460327.db2.gz LYWSXAUWZYAYQA-ZETCQYMHSA-N -1 0 324.142 -0.235 20 0 DBADRM C[N@@H+](Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC001029629587 671472991 /nfs/dbraw/zinc/47/29/91/671472991.db2.gz ALMVXHVWYWUIBR-SNVBAGLBSA-N -1 0 317.353 -0.106 20 0 DBADRM C[C@@](O)(CNC(=O)CCn1cnc2ccccc2c1=O)C(=O)[O-] ZINC000262520690 671487712 /nfs/dbraw/zinc/48/77/12/671487712.db2.gz NURIGYYEXSOWKY-OAHLLOKOSA-N -1 0 319.317 -0.262 20 0 DBADRM Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@](C)(O)C(=O)[O-])[nH]n1 ZINC000262526440 671488763 /nfs/dbraw/zinc/48/87/63/671488763.db2.gz ORXXQEYLLRMSIY-AWEZNQCLSA-N -1 0 321.337 -0.008 20 0 DBADRM C[N@H+](Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)C(C)(C)C(N)=O)CC1 ZINC000985486918 671494410 /nfs/dbraw/zinc/49/44/10/671494410.db2.gz KDDZIUPKNLHCAX-UHFFFAOYSA-N -1 0 324.385 -0.555 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1ccc(C)cc1=O ZINC000797278744 671496566 /nfs/dbraw/zinc/49/65/66/671496566.db2.gz DPFXYRDGMFHHRY-SECBINFHSA-N -1 0 316.335 -0.836 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000738526360 671498402 /nfs/dbraw/zinc/49/84/02/671498402.db2.gz JOGZCPZYKKPJGI-UHFFFAOYSA-N -1 0 302.334 -0.088 20 0 DBADRM C[C@@](O)(CNC(=O)CCn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000262561270 671505509 /nfs/dbraw/zinc/50/55/09/671505509.db2.gz WIVLSKDGMWHPGS-CQSZACIVSA-N -1 0 320.305 -0.867 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1CCOC[C@H]1CC(=O)[O-])CC2 ZINC000909616139 671505575 /nfs/dbraw/zinc/50/55/75/671505575.db2.gz GBYUYSRYGIJLII-GHMZBOCLSA-N -1 0 308.338 -0.149 20 0 DBADRM COCC(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2C1 ZINC000985629759 671514831 /nfs/dbraw/zinc/51/48/31/671514831.db2.gz HXWZJOILVPTZLK-MNOVXSKESA-N -1 0 322.365 -0.009 20 0 DBADRM Cn1ccnc1CN1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001038467186 671525914 /nfs/dbraw/zinc/52/59/14/671525914.db2.gz YLMRLJQKJNPYJN-QMMMGPOBSA-N -1 0 319.325 -0.979 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NCc3cn(C)nn3)[C@@H]2C)c1[O-] ZINC000986149904 671568290 /nfs/dbraw/zinc/56/82/90/671568290.db2.gz AOMGTXUIMUMTID-ONGXEEELSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NCc3ncnn3C)[C@@H]2C)c1[O-] ZINC000986163645 671569646 /nfs/dbraw/zinc/56/96/46/671569646.db2.gz XPOLXFUIANIKKQ-UWVGGRQHSA-N -1 0 319.369 -0.055 20 0 DBADRM O=C(CN1CCCS1(=O)=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000262772797 671578656 /nfs/dbraw/zinc/57/86/56/671578656.db2.gz LMKJDSGRNLNDHR-MWLCHTKSSA-N -1 0 320.367 -0.982 20 0 DBADRM Cn1c(=O)[nH]c2ccc(C(=O)N3CCC(O)(C(=O)[O-])CC3)cc21 ZINC000262782458 671581470 /nfs/dbraw/zinc/58/14/70/671581470.db2.gz OJGVIQXRYHVREQ-UHFFFAOYSA-N -1 0 319.317 -0.082 20 0 DBADRM CC(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC000986466964 671594115 /nfs/dbraw/zinc/59/41/15/671594115.db2.gz SAJXQTBESUPFJY-ZJUUUORDSA-N -1 0 309.326 -0.984 20 0 DBADRM C[C@H]1[C@@H](NCc2cnon2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000986489084 671596351 /nfs/dbraw/zinc/59/63/51/671596351.db2.gz SDADDPPVGMRQRD-XPUUQOCRSA-N -1 0 321.297 -0.941 20 0 DBADRM CN(CCC(=O)[O-])C(=O)COCC(=O)NCc1cccnc1 ZINC000262916474 671600180 /nfs/dbraw/zinc/60/01/80/671600180.db2.gz UIKRAZHACIOUBB-UHFFFAOYSA-N -1 0 309.322 -0.353 20 0 DBADRM O=C([O-])COCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000321213147 671620452 /nfs/dbraw/zinc/62/04/52/671620452.db2.gz ZZMYFPLWSSRRLH-UHFFFAOYSA-N -1 0 324.293 -0.260 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263099021 671634165 /nfs/dbraw/zinc/63/41/65/671634165.db2.gz AWBZCNQASXQBFN-UWVGGRQHSA-N -1 0 321.399 -0.322 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCCC2)C1 ZINC000729189250 671646032 /nfs/dbraw/zinc/64/60/32/671646032.db2.gz OSGUWFIORBTFQU-LLVKDONJSA-N -1 0 303.384 -0.298 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263154949 671647138 /nfs/dbraw/zinc/64/71/38/671647138.db2.gz PVKCUPITWWXKDI-ZJUUUORDSA-N -1 0 322.383 -0.089 20 0 DBADRM C[C@@H]1[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CCN1C(=O)Cc1ncc[nH]1 ZINC000987261140 671665671 /nfs/dbraw/zinc/66/56/71/671665671.db2.gz PNGSTALKZIRSCR-RKDXNWHRSA-N -1 0 305.342 -0.445 20 0 DBADRM CN1CCOC[C@@H]1C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000867562722 671686369 /nfs/dbraw/zinc/68/63/69/671686369.db2.gz RUFGHMMNEUPZLF-JTQLQIEISA-N -1 0 311.429 -0.587 20 0 DBADRM CC(C)[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000263432867 671699294 /nfs/dbraw/zinc/69/92/94/671699294.db2.gz NWIOHWLBKNRXJE-SECBINFHSA-N -1 0 301.324 -0.432 20 0 DBADRM CC(C)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000263443527 671700939 /nfs/dbraw/zinc/70/09/39/671700939.db2.gz QFSAPZCFMNNERD-JTQLQIEISA-N -1 0 315.351 -0.042 20 0 DBADRM CCOc1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cn1 ZINC000263466009 671704997 /nfs/dbraw/zinc/70/49/97/671704997.db2.gz GGMKVPQXROOZGZ-NSHDSACASA-N -1 0 304.324 -0.406 20 0 DBADRM CCC(=O)NC1CC2(C1)CC(NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001013919205 671711462 /nfs/dbraw/zinc/71/14/62/671711462.db2.gz MKPCVWITCWVEGK-UHFFFAOYSA-N -1 0 321.337 -0.150 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000987754882 671715257 /nfs/dbraw/zinc/71/52/57/671715257.db2.gz KBHMVPQJTYEKOA-VIFPVBQESA-N -1 0 323.353 -0.141 20 0 DBADRM C[C@@H]1C[C@H](NCc2nc(=O)n(C)[nH]2)CN1C(=O)C(=O)C(C)(C)C ZINC000988376780 671785754 /nfs/dbraw/zinc/78/57/54/671785754.db2.gz QTKMXYQPPVUPIZ-ZJUUUORDSA-N -1 0 323.397 -0.197 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NCCOC1CCOCC1 ZINC000929016885 671794796 /nfs/dbraw/zinc/79/47/96/671794796.db2.gz JVFVUDSUKNLTFT-UHFFFAOYSA-N -1 0 304.343 -0.075 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](NC(=O)c2ccc[nH]2)C1 ZINC000937672595 671803295 /nfs/dbraw/zinc/80/32/95/671803295.db2.gz JHOUKBMXQSGUBX-QMMMGPOBSA-N -1 0 320.309 -0.952 20 0 DBADRM COC[C@@H](NC(=O)N1CCOC[C@H]1C(=O)[O-])C1CCOCC1 ZINC000929046106 671810421 /nfs/dbraw/zinc/81/04/21/671810421.db2.gz VXCKHSRHYUBJCG-NEPJUHHUSA-N -1 0 316.354 -0.077 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NCc3cnn(C)n3)C[C@H]2C)c1[O-] ZINC000988631910 671813730 /nfs/dbraw/zinc/81/37/30/671813730.db2.gz IMOGIUYJZDJHAD-SCZZXKLOSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NCc3nnnn3C)C[C@H]2C)c1[O-] ZINC000988660487 671831685 /nfs/dbraw/zinc/83/16/85/671831685.db2.gz DLCHYAGLZCEOTP-VXNVDRBHSA-N -1 0 320.357 -0.660 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnns3)C2)c1[O-] ZINC000937833065 671840234 /nfs/dbraw/zinc/84/02/34/671840234.db2.gz WKUVHTKGDRWGFQ-ZETCQYMHSA-N -1 0 322.350 -0.080 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3ncc[nH]3)C2)c1[O-] ZINC000937914115 671853320 /nfs/dbraw/zinc/85/33/20/671853320.db2.gz DRKHJRVBNWNBFD-QMMMGPOBSA-N -1 0 304.310 -0.209 20 0 DBADRM CCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)c1nnn[n-]1 ZINC000343722063 671854915 /nfs/dbraw/zinc/85/49/15/671854915.db2.gz HBJFXWCRSDASSA-SCZZXKLOSA-N -1 0 318.341 -0.067 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000937970966 671858257 /nfs/dbraw/zinc/85/82/57/671858257.db2.gz NLGIBSSKWJHWOB-VIFPVBQESA-N -1 0 303.322 -0.237 20 0 DBADRM COc1ccc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001038478360 671859540 /nfs/dbraw/zinc/85/95/40/671859540.db2.gz UZYCIYIIQZUPND-JTQLQIEISA-N -1 0 318.337 -0.082 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C(F)F ZINC000989114832 671879347 /nfs/dbraw/zinc/87/93/47/671879347.db2.gz UGPJFCVQUVJMBS-UHNVWZDZSA-N -1 0 317.252 -0.733 20 0 DBADRM CCCC(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC000989113383 671879406 /nfs/dbraw/zinc/87/94/06/671879406.db2.gz DBRUFKWRUJACJA-SFYZADRCSA-N -1 0 309.326 -0.198 20 0 DBADRM CCCC(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989199192 671997681 /nfs/dbraw/zinc/99/76/81/671997681.db2.gz RJAVBOIKHZTHDB-BDAKNGLRSA-N -1 0 311.342 -0.405 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989198244 671997964 /nfs/dbraw/zinc/99/79/64/671997964.db2.gz LLBCZWDHCVOJJR-LTAOASPFSA-N -1 0 323.353 -0.239 20 0 DBADRM Cn1[n-]c(Br)c2c(=NCCNC(N)=O)ncnc1-2 ZINC000729581502 672484960 /nfs/dbraw/zinc/48/49/60/672484960.db2.gz STTFFZHQRPEHEU-UHFFFAOYSA-N -1 0 314.147 -0.421 20 0 DBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000729902927 672496755 /nfs/dbraw/zinc/49/67/55/672496755.db2.gz YWIDSXSQGCFWTM-SECBINFHSA-N -1 0 311.363 -0.065 20 0 DBADRM O=C([C@H]1C[C@]12CCOC2)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000989440328 672510547 /nfs/dbraw/zinc/51/05/47/672510547.db2.gz UTADFMRVODMJJE-ABAIWWIYSA-N -1 0 321.381 -0.029 20 0 DBADRM C[C@@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)c1ccnnc1 ZINC000989481041 672553377 /nfs/dbraw/zinc/55/33/77/672553377.db2.gz NFGLMWUWBGOZRR-SCZZXKLOSA-N -1 0 303.326 -0.307 20 0 DBADRM Cc1nccc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000989689773 672585948 /nfs/dbraw/zinc/58/59/48/672585948.db2.gz SCLFRXCFEJGAEF-UHFFFAOYSA-N -1 0 317.353 -0.043 20 0 DBADRM O=C(CNS(=O)(=O)c1ccc(Cl)s1)[N-]OCCO ZINC000787292394 672599420 /nfs/dbraw/zinc/59/94/20/672599420.db2.gz FLMQALAITDCBGN-UHFFFAOYSA-N -1 0 314.772 -0.280 20 0 DBADRM Cc1nc[nH]c1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000989808564 672605751 /nfs/dbraw/zinc/60/57/51/672605751.db2.gz MWVCXUYXIDTURS-UHFFFAOYSA-N -1 0 305.342 -0.110 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)C(N)=O ZINC000035149068 672606959 /nfs/dbraw/zinc/60/69/59/672606959.db2.gz DGXPSLMCJIPTEJ-MRVPVSSYSA-N -1 0 300.336 -0.144 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1CC(NC(=O)C2CCC2)C1 ZINC000990030175 672632899 /nfs/dbraw/zinc/63/28/99/672632899.db2.gz JCLKFWPSLAIKFW-UHFFFAOYSA-N -1 0 321.337 -0.658 20 0 DBADRM CC(C)(F)C(=O)NC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000990049166 672635679 /nfs/dbraw/zinc/63/56/79/672635679.db2.gz RPQRZSNHMCOWIL-UHFFFAOYSA-N -1 0 321.312 -0.289 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)C2CCCCC2)C1 ZINC000990092277 672644754 /nfs/dbraw/zinc/64/47/54/672644754.db2.gz MXDNDQYYDLPWNS-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(CC1CCCC1)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000990105051 672647524 /nfs/dbraw/zinc/64/75/24/672647524.db2.gz KPQDRBIKJXTHBO-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cnc(C)cn3)C2)c1[O-] ZINC000990122018 672649372 /nfs/dbraw/zinc/64/93/72/672649372.db2.gz GGUGNNNJKIUDQC-UHFFFAOYSA-N -1 0 316.321 -0.223 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000990130274 672652423 /nfs/dbraw/zinc/65/24/23/672652423.db2.gz OGBPGODJUJAIRJ-IONNQARKSA-N -1 0 306.322 -0.918 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cc[n+]([O-])cc3)C2)c1[O-] ZINC000990139498 672653192 /nfs/dbraw/zinc/65/31/92/672653192.db2.gz BUOCCDQVWPGCSU-UHFFFAOYSA-N -1 0 317.305 -0.688 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccoc1 ZINC000990230889 672686301 /nfs/dbraw/zinc/68/63/01/672686301.db2.gz NEUDMGOHIBPHGE-UHFFFAOYSA-N -1 0 305.250 -0.870 20 0 DBADRM Cc1ccoc1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000990247416 672695745 /nfs/dbraw/zinc/69/57/45/672695745.db2.gz QDVIKHSKLXFKDN-UHFFFAOYSA-N -1 0 321.293 -0.768 20 0 DBADRM CC(C)C(=O)NC1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000990269172 672696505 /nfs/dbraw/zinc/69/65/05/672696505.db2.gz YUFAAAWNWYUQAB-UHFFFAOYSA-N -1 0 318.337 -0.946 20 0 DBADRM CN1CCO[C@@H](C(=O)N2CC(NC(=O)c3ccccc3O)C2)C1 ZINC000990272668 672696989 /nfs/dbraw/zinc/69/69/89/672696989.db2.gz RAEAVMZNFATROB-CQSZACIVSA-N -1 0 319.361 -0.337 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(Cc2cscn2)C1 ZINC001031314593 677416495 /nfs/dbraw/zinc/41/64/95/677416495.db2.gz AUNGROYRCVEDEM-UHFFFAOYSA-N -1 0 310.339 -0.854 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)c(C)n1 ZINC000764195821 677340988 /nfs/dbraw/zinc/34/09/88/677340988.db2.gz LQZLFGWBZBDLMR-SECBINFHSA-N -1 0 319.383 -0.068 20 0 DBADRM O=C(c1ccc2n[nH]nc2c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000731855580 677346122 /nfs/dbraw/zinc/34/61/22/677346122.db2.gz UPJXAJHBBFJJAY-SNVBAGLBSA-N -1 0 300.282 -0.315 20 0 DBADRM CC(=O)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@]2(C)C1 ZINC000993202196 677346170 /nfs/dbraw/zinc/34/61/70/677346170.db2.gz HHDFQLHVDUWCKQ-RNCFNFMXSA-N -1 0 309.326 -0.984 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000731855054 677346217 /nfs/dbraw/zinc/34/62/17/677346217.db2.gz ORGLOQZUHRNTSX-HBNTYKKESA-N -1 0 311.342 -0.316 20 0 DBADRM O=C(NCc1ccnc(N2CCOCC2)c1)c1cc(=O)[nH][n-]1 ZINC000731868823 677347057 /nfs/dbraw/zinc/34/70/57/677347057.db2.gz YJMMSONUMUNSQZ-UHFFFAOYSA-N -1 0 303.322 -0.590 20 0 DBADRM COCC(=O)Nc1cccc(CNC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000731868291 677347060 /nfs/dbraw/zinc/34/70/60/677347060.db2.gz ATYZBNSHGPDNIW-UHFFFAOYSA-N -1 0 304.306 -0.236 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn(CC2CC2)c1 ZINC001031212905 677347355 /nfs/dbraw/zinc/34/73/55/677347355.db2.gz MKKBOVBWOTWVIJ-UHFFFAOYSA-N -1 0 317.353 -0.269 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCCOC ZINC000731918576 677347651 /nfs/dbraw/zinc/34/76/51/677347651.db2.gz HVWZETLHTFTMMJ-JTQLQIEISA-N -1 0 322.383 -0.199 20 0 DBADRM CN(C)c1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)ccn1 ZINC000732090440 677350817 /nfs/dbraw/zinc/35/08/17/677350817.db2.gz WKWCUVSPLMLCBY-SNVBAGLBSA-N -1 0 303.326 -0.126 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001031220893 677351096 /nfs/dbraw/zinc/35/10/96/677351096.db2.gz VWRCMVGVSBLZRK-CQSZACIVSA-N -1 0 322.369 -0.931 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC ZINC000788042961 677351523 /nfs/dbraw/zinc/35/15/23/677351523.db2.gz ROTHVMKPIOQTJK-RKDXNWHRSA-N -1 0 322.383 -0.454 20 0 DBADRM O=C(NCCCS(=O)(=O)c1ccccc1)c1cc(=O)[nH][n-]1 ZINC000732278938 677352796 /nfs/dbraw/zinc/35/27/96/677352796.db2.gz IJKDUCKPIUFKLM-UHFFFAOYSA-N -1 0 309.347 -0.158 20 0 DBADRM CN(c1ccc(CNC(=O)c2cc(=O)[nH][n-]2)cc1)S(C)(=O)=O ZINC000732305853 677352813 /nfs/dbraw/zinc/35/28/13/677352813.db2.gz FPRHTFMZVMNRKX-UHFFFAOYSA-N -1 0 324.362 -0.426 20 0 DBADRM O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000732287556 677353250 /nfs/dbraw/zinc/35/32/50/677353250.db2.gz XEILHYVNFGXBBQ-QMMMGPOBSA-N -1 0 307.335 -0.052 20 0 DBADRM C[C@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993296754 677356747 /nfs/dbraw/zinc/35/67/47/677356747.db2.gz IVUJURFWKIXJRJ-IUCAKERBSA-N -1 0 320.357 -0.578 20 0 DBADRM COCc1nocc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031245723 677360877 /nfs/dbraw/zinc/36/08/77/677360877.db2.gz IODHIWHNPXRBAX-UHFFFAOYSA-N -1 0 308.298 -0.741 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O ZINC000732507710 677362065 /nfs/dbraw/zinc/36/20/65/677362065.db2.gz GHHTYAXPRPGIQR-UHFFFAOYSA-N -1 0 301.386 -0.706 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)NC)nc1 ZINC000732507271 677362090 /nfs/dbraw/zinc/36/20/90/677362090.db2.gz XAIZRUKMTOSIOX-UHFFFAOYSA-N -1 0 315.351 -0.463 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C1CCCC1 ZINC000732523258 677364103 /nfs/dbraw/zinc/36/41/03/677364103.db2.gz PPOQSQFCTCZUKS-VIFPVBQESA-N -1 0 306.384 -0.226 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000732604380 677366167 /nfs/dbraw/zinc/36/61/67/677366167.db2.gz FPUILGXJNBZFRQ-UHFFFAOYSA-N -1 0 311.319 -0.432 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000732606455 677366450 /nfs/dbraw/zinc/36/64/50/677366450.db2.gz GSOZKUOHWFGMQX-ZCFIWIBFSA-N -1 0 305.385 -0.046 20 0 DBADRM CC1(C(=O)NC2CN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000993672228 677384334 /nfs/dbraw/zinc/38/43/34/677384334.db2.gz UQICHWVIMGTAGW-UHFFFAOYSA-N -1 0 321.337 -0.658 20 0 DBADRM CC(C)(C)CS(=O)(=O)[N-]C(=O)CN1CCCS1(=O)=O ZINC000733055487 677412465 /nfs/dbraw/zinc/41/24/65/677412465.db2.gz VKUDJUXOBRJQRY-UHFFFAOYSA-N -1 0 312.413 -0.486 20 0 DBADRM COc1cccnc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031309302 677412485 /nfs/dbraw/zinc/41/24/85/677412485.db2.gz LSNNLZZIKPFKOZ-UHFFFAOYSA-N -1 0 304.310 -0.472 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C)c(=O)[nH]c1=O ZINC000733056194 677412650 /nfs/dbraw/zinc/41/26/50/677412650.db2.gz WAJTWJMLGOQTEW-UHFFFAOYSA-N -1 0 303.340 -0.408 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)cc1 ZINC000153833395 677414095 /nfs/dbraw/zinc/41/40/95/677414095.db2.gz CKNLTTSFGIPUBZ-UHFFFAOYSA-N -1 0 310.335 -0.605 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(CCc2ccccc2)C1 ZINC001031314648 677416526 /nfs/dbraw/zinc/41/65/26/677416526.db2.gz FCPFXCLKKPJONJ-UHFFFAOYSA-N -1 0 317.349 -0.268 20 0 DBADRM Cc1cncc(CN2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)c1 ZINC001031314634 677416629 /nfs/dbraw/zinc/41/66/29/677416629.db2.gz DKFXDBARPWYDEV-UHFFFAOYSA-N -1 0 318.337 -0.607 20 0 DBADRM Cc1c(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001038067613 677421896 /nfs/dbraw/zinc/42/18/96/677421896.db2.gz DZIGZRAOCMGFLX-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM C[C@@H]1[C@H](NC(=O)Cn2cncn2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994360327 677422747 /nfs/dbraw/zinc/42/27/47/677422747.db2.gz AIAHHZKMTQFDDQ-NXEZZACHSA-N -1 0 320.357 -0.729 20 0 DBADRM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]N1CC(=O)NC1=O ZINC000916732026 677423943 /nfs/dbraw/zinc/42/39/43/677423943.db2.gz VMKACVGSIKIEAZ-UHFFFAOYSA-N -1 0 302.294 -0.149 20 0 DBADRM CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000916789015 677424282 /nfs/dbraw/zinc/42/42/82/677424282.db2.gz ROVFLDZYXASYQT-SSDOTTSWSA-N -1 0 303.340 -0.646 20 0 DBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1 ZINC000916824627 677424782 /nfs/dbraw/zinc/42/47/82/677424782.db2.gz NEKIMRPOSQVJHQ-UHFFFAOYSA-N -1 0 313.379 -0.042 20 0 DBADRM Cc1nc(CC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cs1 ZINC001031357993 677430497 /nfs/dbraw/zinc/43/04/97/677430497.db2.gz DDEKMCFBQXVPSU-UHFFFAOYSA-N -1 0 308.367 -0.182 20 0 DBADRM Cc1ccc(CC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001031392234 677441413 /nfs/dbraw/zinc/44/14/13/677441413.db2.gz BJYLWLKKWYZGBH-UHFFFAOYSA-N -1 0 302.338 -0.243 20 0 DBADRM Cn1ncc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1C1CC1 ZINC001031478203 677455593 /nfs/dbraw/zinc/45/55/93/677455593.db2.gz GQTOHIAAFGHNBU-UHFFFAOYSA-N -1 0 317.353 -0.265 20 0 DBADRM CO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000918487906 677457120 /nfs/dbraw/zinc/45/71/20/677457120.db2.gz QHRYOFJCPGMJKE-MRVPVSSYSA-N -1 0 321.376 -0.070 20 0 DBADRM C[C@@H](C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn(C)c1 ZINC001031509184 677460551 /nfs/dbraw/zinc/46/05/51/677460551.db2.gz SRDOOJGVUVYREQ-MRVPVSSYSA-N -1 0 305.342 -0.652 20 0 DBADRM C[C@H](O)[C@@H](NS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-] ZINC000918741123 677461303 /nfs/dbraw/zinc/46/13/03/677461303.db2.gz SGFFMDNCLOAXJR-QUBYGPBYSA-N -1 0 315.303 -0.531 20 0 DBADRM Cc1nn(C)cc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031585722 677474688 /nfs/dbraw/zinc/47/46/88/677474688.db2.gz JWMHVFLOLKETSS-UHFFFAOYSA-N -1 0 305.342 -0.586 20 0 DBADRM CCn1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001031587875 677475166 /nfs/dbraw/zinc/47/51/66/677475166.db2.gz VJUFIXHDRQJOCO-UHFFFAOYSA-N -1 0 305.342 -0.412 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)N2CCCCC2)CC1=O ZINC000919672709 677478970 /nfs/dbraw/zinc/47/89/70/677478970.db2.gz ZLSCJNJOQPBPOJ-SNVBAGLBSA-N -1 0 303.384 -0.298 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(CC(=O)NC3CC3)C2)c1[O-] ZINC001031618075 677481563 /nfs/dbraw/zinc/48/15/63/677481563.db2.gz ZJMNEXSXKUOACM-UHFFFAOYSA-N -1 0 307.354 -0.636 20 0 DBADRM COc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001031624876 677484129 /nfs/dbraw/zinc/48/41/29/677484129.db2.gz HITSGRYPVRBZQF-UHFFFAOYSA-N -1 0 308.298 -0.631 20 0 DBADRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)cc1 ZINC000920099883 677490422 /nfs/dbraw/zinc/49/04/22/677490422.db2.gz SDHKACRQTMHDRS-UHFFFAOYSA-N -1 0 319.360 -0.261 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCc1cccc(C(=O)N(C)C)c1 ZINC000920325550 677493007 /nfs/dbraw/zinc/49/30/07/677493007.db2.gz PTKDYSPCEKEVJB-UHFFFAOYSA-N -1 0 322.365 -0.092 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000921405439 677503854 /nfs/dbraw/zinc/50/38/54/677503854.db2.gz QUJUXPYLBHKQBS-VIFPVBQESA-N -1 0 311.317 -0.224 20 0 DBADRM O=C(C=C1CCC1)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938349300 677516036 /nfs/dbraw/zinc/51/60/36/677516036.db2.gz DMUXTORFEDBBOI-VIFPVBQESA-N -1 0 319.321 -0.276 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2ccoc2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000938350344 677516478 /nfs/dbraw/zinc/51/64/78/677516478.db2.gz SCWOJBUZIPEHKU-QMMMGPOBSA-N -1 0 319.277 -0.480 20 0 DBADRM CC(C)C(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938400300 677519619 /nfs/dbraw/zinc/51/96/19/677519619.db2.gz VVXTWDQSKMAYBW-VIFPVBQESA-N -1 0 308.338 -0.527 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)CC2CCC2)C1 ZINC000938388770 677519951 /nfs/dbraw/zinc/51/99/51/677519951.db2.gz NAKSAOOFAGZEKJ-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938412972 677521131 /nfs/dbraw/zinc/52/11/31/677521131.db2.gz IFNKUIQATOAQGP-KXUCPTDWSA-N -1 0 320.349 -0.527 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3ncccn3)C2)c1[O-] ZINC000938510566 677532457 /nfs/dbraw/zinc/53/24/57/677532457.db2.gz USVFKZIPHGUFPW-VIFPVBQESA-N -1 0 316.321 -0.142 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000068117376 677543859 /nfs/dbraw/zinc/54/38/59/677543859.db2.gz YOUIXRSSDYIALW-LURJTMIESA-N -1 0 306.278 -0.295 20 0 DBADRM Cn1cc(CCC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)cn1 ZINC000180229432 677552686 /nfs/dbraw/zinc/55/26/86/677552686.db2.gz YZPQAFGPMXCWEY-NSHDSACASA-N -1 0 301.368 -0.022 20 0 DBADRM CN(C(=O)C(F)F)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938987358 677566402 /nfs/dbraw/zinc/56/64/02/677566402.db2.gz ICRYDJQUDHXMLO-LURJTMIESA-N -1 0 319.268 -0.986 20 0 DBADRM CCC(=O)N[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000938997053 677568290 /nfs/dbraw/zinc/56/82/90/677568290.db2.gz FKMRLUYSVSRSGG-SECBINFHSA-N -1 0 318.337 -0.802 20 0 DBADRM CO[C@H]1CCC[C@@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031794334 677581633 /nfs/dbraw/zinc/58/16/33/677581633.db2.gz SPMIIEDYXYVCRT-QWRGUYRKSA-N -1 0 309.370 -0.127 20 0 DBADRM CCc1n[nH]cc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031806267 677588212 /nfs/dbraw/zinc/58/82/12/677588212.db2.gz QMJUGFYWVJPESR-UHFFFAOYSA-N -1 0 305.342 -0.342 20 0 DBADRM COc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001031834966 677617685 /nfs/dbraw/zinc/61/76/85/677617685.db2.gz UXVVQIUOPAQJGB-UHFFFAOYSA-N -1 0 321.341 -0.886 20 0 DBADRM O=C(CC1CCC1)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000939878503 677638141 /nfs/dbraw/zinc/63/81/41/677638141.db2.gz LDYHDNMJZJRNFT-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnns3)C2)c1[O-] ZINC000940039026 677645224 /nfs/dbraw/zinc/64/52/24/677645224.db2.gz WKUVHTKGDRWGFQ-SSDOTTSWSA-N -1 0 322.350 -0.080 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3csnn3)C2)c1[O-] ZINC000940048031 677645487 /nfs/dbraw/zinc/64/54/87/677645487.db2.gz VYWJJFGWKYSTBJ-SSDOTTSWSA-N -1 0 322.350 -0.080 20 0 DBADRM C/C=C(\C)C(=O)N1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000940701499 677709123 /nfs/dbraw/zinc/70/91/23/677709123.db2.gz LQBRBMNXKYSQGZ-XCVCLJGOSA-N -1 0 323.353 -0.284 20 0 DBADRM C/C=C(/C)C(=O)N1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000940701498 677709429 /nfs/dbraw/zinc/70/94/29/677709429.db2.gz LQBRBMNXKYSQGZ-KMKOMSMNSA-N -1 0 323.353 -0.284 20 0 DBADRM Cc1cnn(C)c1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031908678 677713872 /nfs/dbraw/zinc/71/38/72/677713872.db2.gz HPMOCTSIACNBNW-UHFFFAOYSA-N -1 0 305.342 -0.586 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cc[nH]c1 ZINC000940924282 677730747 /nfs/dbraw/zinc/73/07/47/677730747.db2.gz NUWLIMWGGHDTJZ-MRVPVSSYSA-N -1 0 318.293 -0.745 20 0 DBADRM CC[C@@H](C)C(=O)N1CCN(C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000941319062 677777122 /nfs/dbraw/zinc/77/71/22/677777122.db2.gz GFUMWURMIHQGNN-LLVKDONJSA-N -1 0 322.413 -0.115 20 0 DBADRM CCn1cnc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)c1 ZINC000941446439 677805826 /nfs/dbraw/zinc/80/58/26/677805826.db2.gz RMZRGBPLXBMHIG-SECBINFHSA-N -1 0 303.326 -0.334 20 0 DBADRM O=C(CCc1ccncn1)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000941448038 677810005 /nfs/dbraw/zinc/81/00/05/677810005.db2.gz RLMJBFDLWZTIIC-LLVKDONJSA-N -1 0 315.337 -0.442 20 0 DBADRM COCC(=O)N1CC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000941663589 677838899 /nfs/dbraw/zinc/83/88/99/677838899.db2.gz VXRFVRSTXHAAJY-MRVPVSSYSA-N -1 0 320.305 -0.095 20 0 DBADRM CC1(C(=O)N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000941789358 677848676 /nfs/dbraw/zinc/84/86/76/677848676.db2.gz SKLJCTYFYMEDEO-SSDOTTSWSA-N -1 0 307.310 -0.586 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000941793969 677850722 /nfs/dbraw/zinc/85/07/22/677850722.db2.gz IUWURUBEBJHGKJ-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H](CC(=O)N1CC(NC(=O)c2cn[nH]n2)C1)n1cccn1 ZINC000995177981 677853351 /nfs/dbraw/zinc/85/33/51/677853351.db2.gz TUPZCSSOVXTCIA-VIFPVBQESA-N -1 0 303.326 -0.407 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)Cn1cccn1 ZINC000941817938 677854149 /nfs/dbraw/zinc/85/41/49/677854149.db2.gz DPIJHILEUFZGIH-GHMZBOCLSA-N -1 0 319.369 -0.266 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cn[nH]c1 ZINC000941849400 677857151 /nfs/dbraw/zinc/85/71/51/677857151.db2.gz FBNQXYIZGJXPEQ-WCBMZHEXSA-N -1 0 305.342 -0.126 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1ccnn1C ZINC000941876259 677860217 /nfs/dbraw/zinc/86/02/17/677860217.db2.gz FGCXNXAJKXQRCU-UWVGGRQHSA-N -1 0 319.369 -0.116 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)c2ccco2)C1 ZINC000941934250 677862411 /nfs/dbraw/zinc/86/24/11/677862411.db2.gz OKPKKSSDRSVYOF-MRVPVSSYSA-N -1 0 321.293 -0.687 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)Cc1cc[nH]n1 ZINC000941914978 677862893 /nfs/dbraw/zinc/86/28/93/677862893.db2.gz BILGFQRQKOQJRM-ONGXEEELSA-N -1 0 319.369 -0.197 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000941981196 677869047 /nfs/dbraw/zinc/86/90/47/677869047.db2.gz XDWDJPNHDUVDRR-ZUYFITGHSA-N -1 0 320.349 -0.217 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1ncn(C)n1 ZINC000942023927 677876589 /nfs/dbraw/zinc/87/65/89/677876589.db2.gz GMDOHAPTOWFDRZ-BDAKNGLRSA-N -1 0 320.357 -0.721 20 0 DBADRM CC1(C(=O)N[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CCC1 ZINC000942025168 677876850 /nfs/dbraw/zinc/87/68/50/677876850.db2.gz FRIKQJRPAZCXKJ-MRVPVSSYSA-N -1 0 321.337 -0.196 20 0 DBADRM CCN(C(=O)C1CC1)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000942630773 677953440 /nfs/dbraw/zinc/95/34/40/677953440.db2.gz PPALDJDEJDAPBV-SNVBAGLBSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1ccnnc1 ZINC000942977407 677972810 /nfs/dbraw/zinc/97/28/10/677972810.db2.gz JLWMRUXNIRHUCN-ONGXEEELSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1ccnnc1 ZINC000942977406 677973029 /nfs/dbraw/zinc/97/30/29/677973029.db2.gz JLWMRUXNIRHUCN-MWLCHTKSSA-N -1 0 317.353 -0.059 20 0 DBADRM CCC(=O)N1CCC(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000943045620 677976729 /nfs/dbraw/zinc/97/67/29/677976729.db2.gz LDKTYNCIBVGDKI-UHFFFAOYSA-N -1 0 308.338 -0.383 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCCN(C(=O)C(N)=O)C2)c1[O-] ZINC000943191775 677981276 /nfs/dbraw/zinc/98/12/76/677981276.db2.gz BSZVCABUUJDKGC-MRVPVSSYSA-N -1 0 309.326 -0.980 20 0 DBADRM CCn1ncc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1C ZINC001032068908 677982056 /nfs/dbraw/zinc/98/20/56/677982056.db2.gz ULLFHUBVEYRCID-UHFFFAOYSA-N -1 0 319.369 -0.103 20 0 DBADRM COc1ccc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001032069728 677984696 /nfs/dbraw/zinc/98/46/96/677984696.db2.gz ZYXOWVHTMFTJIE-UHFFFAOYSA-N -1 0 307.310 -0.026 20 0 DBADRM O=C(N[C@H]1CCCCN(C(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000943397443 677992682 /nfs/dbraw/zinc/99/26/82/677992682.db2.gz XONMGXSGOPOBFC-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM CCCn1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001032081107 677995850 /nfs/dbraw/zinc/99/58/50/677995850.db2.gz XXHPEPCQLSTCGL-UHFFFAOYSA-N -1 0 320.357 -0.626 20 0 DBADRM COCc1nc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001032083148 677998666 /nfs/dbraw/zinc/99/86/66/677998666.db2.gz OVUHJOUVASDSDL-UHFFFAOYSA-N -1 0 322.325 -0.494 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CC[C@H](NC(=O)C2CC2)CC1 ZINC000943588079 678005231 /nfs/dbraw/zinc/00/52/31/678005231.db2.gz LHXASMQERQVROH-MGCOHNPYSA-N -1 0 323.353 -0.357 20 0 DBADRM CCCC(=O)N1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000943616290 678006514 /nfs/dbraw/zinc/00/65/14/678006514.db2.gz QTJMSMSNGWBDCF-UHFFFAOYSA-N -1 0 309.326 -0.196 20 0 DBADRM COc1ccc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001032101986 678015257 /nfs/dbraw/zinc/01/52/57/678015257.db2.gz HNDXYSQAQHPEFX-UHFFFAOYSA-N -1 0 319.325 -0.829 20 0 DBADRM O=C(NC[C@H]1CCCN1C(=O)C1CCC1)c1n[nH]c(=O)[n-]c1=O ZINC000943811057 678020597 /nfs/dbraw/zinc/02/05/97/678020597.db2.gz OCCWNJNVJOUTDU-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM CCCC(=O)N1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943825307 678022573 /nfs/dbraw/zinc/02/25/73/678022573.db2.gz UXOJIQWZWZNKHF-MRVPVSSYSA-N -1 0 309.326 -0.196 20 0 DBADRM O=C(NC[C@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC000944160062 678060018 /nfs/dbraw/zinc/06/00/18/678060018.db2.gz DZIHFORKVSAYHD-MRVPVSSYSA-N -1 0 307.310 -0.586 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000944185506 678062282 /nfs/dbraw/zinc/06/22/82/678062282.db2.gz ZPEZTZBZGYHOJH-IWSPIJDZSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2C(=O)c2cnon2)c1[O-] ZINC000944230392 678068268 /nfs/dbraw/zinc/06/82/68/678068268.db2.gz ZOEYLAJUCZXFHN-MRVPVSSYSA-N -1 0 320.309 -0.159 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)C3CC3)CCO2)c1[O-] ZINC000944550410 678098853 /nfs/dbraw/zinc/09/88/53/678098853.db2.gz UZJXPOBORZSEAY-JTQLQIEISA-N -1 0 308.338 -0.209 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)Cn1cncn1 ZINC000944653584 678111650 /nfs/dbraw/zinc/11/16/50/678111650.db2.gz MTNKPOLVRXMATD-VHSXEESVSA-N -1 0 320.357 -0.871 20 0 DBADRM CC(=O)N1CCO[C@H](CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000944682441 678117115 /nfs/dbraw/zinc/11/71/15/678117115.db2.gz PUYPBHNFLPKWMA-SECBINFHSA-N -1 0 320.305 -0.095 20 0 DBADRM CC(=O)N1CCO[C@@H](CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000944682446 678117202 /nfs/dbraw/zinc/11/72/02/678117202.db2.gz PUYPBHNFLPKWMA-VIFPVBQESA-N -1 0 320.305 -0.095 20 0 DBADRM CC(=O)N1CCC2(CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000944807789 678130966 /nfs/dbraw/zinc/13/09/66/678130966.db2.gz WKBUQTOIYZJDSN-UHFFFAOYSA-N -1 0 309.326 -0.840 20 0 DBADRM CCC(=O)N1CC2(C1)CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC000944988113 678137421 /nfs/dbraw/zinc/13/74/21/678137421.db2.gz RBYJRGHFTJWCMN-UHFFFAOYSA-N -1 0 321.337 -0.243 20 0 DBADRM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000945092506 678142368 /nfs/dbraw/zinc/14/23/68/678142368.db2.gz OBBWECDWTSQECS-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC000945183072 678144353 /nfs/dbraw/zinc/14/43/53/678144353.db2.gz KGCHTUFRNRVWFQ-RKDXNWHRSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C(NC1CCN(C(=O)[C@@H]2CCCOC2)CC1)c1cn[nH]n1 ZINC000945197463 678145220 /nfs/dbraw/zinc/14/52/20/678145220.db2.gz XNZFZPSUFZQTDK-SNVBAGLBSA-N -1 0 307.354 -0.048 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000945397409 678153008 /nfs/dbraw/zinc/15/30/08/678153008.db2.gz ILHMZFYJEAINQL-PSASIEDQSA-N -1 0 323.353 -0.412 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000945397410 678153018 /nfs/dbraw/zinc/15/30/18/678153018.db2.gz ILHMZFYJEAINQL-SCZZXKLOSA-N -1 0 323.353 -0.412 20 0 DBADRM CCC(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC000945433470 678155583 /nfs/dbraw/zinc/15/55/83/678155583.db2.gz RWTIXVDLOSISLX-DTWKUNHWSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000945690920 678171675 /nfs/dbraw/zinc/17/16/75/678171675.db2.gz DIYDWJKGIJNBEF-IONNQARKSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000945791418 678175107 /nfs/dbraw/zinc/17/51/07/678175107.db2.gz WMYXPCFJWZSIJD-WPRPVWTQSA-N -1 0 311.342 -0.548 20 0 DBADRM CCOC(=O)CCCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000733492077 678222307 /nfs/dbraw/zinc/22/23/07/678222307.db2.gz HXXAFADOIKNNHL-UHFFFAOYSA-N -1 0 308.294 -0.042 20 0 DBADRM CCc1nc(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)no1 ZINC000733491871 678222715 /nfs/dbraw/zinc/22/27/15/678222715.db2.gz DKPVHQFPPDJUCE-UHFFFAOYSA-N -1 0 304.266 -0.240 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000733717499 678254029 /nfs/dbraw/zinc/25/40/29/678254029.db2.gz ODJQTFINVDADDW-BDAKNGLRSA-N -1 0 318.351 -0.121 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000733717500 678254095 /nfs/dbraw/zinc/25/40/95/678254095.db2.gz ODJQTFINVDADDW-DTWKUNHWSA-N -1 0 318.351 -0.121 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)[N-]S(=O)(=O)CC1CC1 ZINC000733704210 678254431 /nfs/dbraw/zinc/25/44/31/678254431.db2.gz OPXIORLHXKMVBT-UHFFFAOYSA-N -1 0 302.352 -0.228 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733720962 678255687 /nfs/dbraw/zinc/25/56/87/678255687.db2.gz FIYFYIWQVKOHEL-SCZZXKLOSA-N -1 0 316.335 -0.367 20 0 DBADRM CCC(CC)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O ZINC000733713329 678255851 /nfs/dbraw/zinc/25/58/51/678255851.db2.gz XNTYZMDJQSWJHQ-UHFFFAOYSA-N -1 0 319.383 -0.047 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000733718795 678255907 /nfs/dbraw/zinc/25/59/07/678255907.db2.gz XXJODEKROZRMSJ-IUCAKERBSA-N -1 0 318.351 -0.121 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccc(-n2cnnn2)cc1 ZINC000733725130 678256500 /nfs/dbraw/zinc/25/65/00/678256500.db2.gz LUDWRCZQOXZSIG-NSHDSACASA-N -1 0 323.334 -0.489 20 0 DBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cn1 ZINC000733722112 678256518 /nfs/dbraw/zinc/25/65/18/678256518.db2.gz KIXJHLTZDJSIAR-VIFPVBQESA-N -1 0 313.335 -0.710 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CN1CCSC1=O ZINC000734087878 678272389 /nfs/dbraw/zinc/27/23/89/678272389.db2.gz DHILHWGDKSOPAR-UHFFFAOYSA-N -1 0 324.380 -0.446 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCOC[C@H]1CCCO1 ZINC000734446240 678286853 /nfs/dbraw/zinc/28/68/53/678286853.db2.gz ULVPYIIBLBAHOB-SNVBAGLBSA-N -1 0 321.337 -0.617 20 0 DBADRM CC1(C)C[C@H]1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996734438 678289987 /nfs/dbraw/zinc/28/99/87/678289987.db2.gz HLLUBEKKZKYUTD-ZETCQYMHSA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@@]1(C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C=CCC1 ZINC000996743665 678290904 /nfs/dbraw/zinc/29/09/04/678290904.db2.gz IIGWVJZBSVUGNU-CQSZACIVSA-N -1 0 319.321 -0.420 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996743277 678291049 /nfs/dbraw/zinc/29/10/49/678291049.db2.gz GFRXGOIYDUSTEM-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(/C=C/C1CC1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996746956 678291688 /nfs/dbraw/zinc/29/16/88/678291688.db2.gz XPZUFTYGZINLEH-ONEGZZNKSA-N -1 0 305.294 -0.810 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccccn1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000734964982 678306559 /nfs/dbraw/zinc/30/65/59/678306559.db2.gz DYKYZGBPNIWMDI-VIFPVBQESA-N -1 0 309.347 -0.103 20 0 DBADRM CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000788071189 678330557 /nfs/dbraw/zinc/33/05/57/678330557.db2.gz WJKHANDKJWCNFY-YFKPBYRVSA-N -1 0 307.353 -0.059 20 0 DBADRM CCOCC(=O)[N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC ZINC000735768455 678343694 /nfs/dbraw/zinc/34/36/94/678343694.db2.gz LVDYHPUUHLHLDD-SECBINFHSA-N -1 0 308.356 -0.589 20 0 DBADRM CCCCOCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000735764633 678343709 /nfs/dbraw/zinc/34/37/09/678343709.db2.gz CQRFABCDLTYTTK-UHFFFAOYSA-N -1 0 317.367 -0.254 20 0 DBADRM Cc1nnc(CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)o1 ZINC001032387088 678387748 /nfs/dbraw/zinc/38/77/48/678387748.db2.gz DPRNWPOILNEHLD-IUCAKERBSA-N -1 0 319.325 -0.770 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@](CO)(C(F)(F)F)C1 ZINC000888318143 678390692 /nfs/dbraw/zinc/39/06/92/678390692.db2.gz FGRAQVROSIWCAT-VIFPVBQESA-N -1 0 308.264 -0.107 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000888322054 678395571 /nfs/dbraw/zinc/39/55/71/678395571.db2.gz ZOSXQXSTULZFNV-JTQLQIEISA-N -1 0 307.358 -0.409 20 0 DBADRM Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)nn1 ZINC001032398986 678395923 /nfs/dbraw/zinc/39/59/23/678395923.db2.gz VMJLFCVEOQKXCX-UWVGGRQHSA-N -1 0 315.337 -0.292 20 0 DBADRM CC1(C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC=CC1 ZINC000997257556 678422927 /nfs/dbraw/zinc/42/29/27/678422927.db2.gz FMDICKFKZONJAF-UHFFFAOYSA-N -1 0 321.337 -0.627 20 0 DBADRM C[C@@H](NC(=O)c1nnc[nH]1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000997355002 678433491 /nfs/dbraw/zinc/43/34/91/678433491.db2.gz HRZFRQAYNLXRHA-MRVPVSSYSA-N -1 0 320.357 -0.341 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997363196 678435378 /nfs/dbraw/zinc/43/53/78/678435378.db2.gz ZMPBJMTUEVEXJE-PSASIEDQSA-N -1 0 320.349 -0.527 20 0 DBADRM CC(C)[C@@H](C)C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997361556 678435405 /nfs/dbraw/zinc/43/54/05/678435405.db2.gz PRHZQKWWBLMBQI-SECBINFHSA-N -1 0 322.365 -0.281 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000888326577 678436322 /nfs/dbraw/zinc/43/63/22/678436322.db2.gz ADQCLXXJAHBPMV-LBPRGKRZSA-N -1 0 323.401 -0.309 20 0 DBADRM CC[C@@H]1CN(C(=O)N=c2nn[n-]n2CC)C[C@@H](C)[S@]1=O ZINC000888327204 678436983 /nfs/dbraw/zinc/43/69/83/678436983.db2.gz UQFJGACYTOUDLR-ZUNJMDCASA-N -1 0 300.388 -0.122 20 0 DBADRM Cn1ccc(CCC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000948587725 678440016 /nfs/dbraw/zinc/44/00/16/678440016.db2.gz RWBOWDFBKXTWBN-UHFFFAOYSA-N -1 0 319.369 -0.479 20 0 DBADRM C[C@@H]1C(=O)NCCN1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000736749124 678443108 /nfs/dbraw/zinc/44/31/08/678443108.db2.gz XMSXAVBMSDVBEO-PWSUYJOCSA-N -1 0 308.334 -0.055 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032462663 678444932 /nfs/dbraw/zinc/44/49/32/678444932.db2.gz XZVUOWQRTGTPRV-YUMQZZPRSA-N -1 0 319.325 -0.654 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC(=O)N(Cc2ccccc2)C1 ZINC000888331127 678463417 /nfs/dbraw/zinc/46/34/17/678463417.db2.gz DLTJBOFSZNKIAH-UHFFFAOYSA-N -1 0 315.337 -0.051 20 0 DBADRM CCC(=O)N1CCC(CNC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000948594362 678466427 /nfs/dbraw/zinc/46/64/27/678466427.db2.gz NQUVRZFIXUMGOP-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000888344365 678467973 /nfs/dbraw/zinc/46/79/73/678467973.db2.gz AGHITCVRQTVKTM-LLVKDONJSA-N -1 0 311.390 -0.407 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@@H]2C[C@H]1CN2Cc1ccon1 ZINC001032499010 678478241 /nfs/dbraw/zinc/47/82/41/678478241.db2.gz OWUPREPMPSOJAG-IUCAKERBSA-N -1 0 318.293 -0.630 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC000997546313 678478293 /nfs/dbraw/zinc/47/82/93/678478293.db2.gz NGAHERANOPOOCN-XLKFXECMSA-N -1 0 321.337 -0.794 20 0 DBADRM CC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000946253925 678485690 /nfs/dbraw/zinc/48/56/90/678485690.db2.gz QCRUHRVIOXOOQK-UWVGGRQHSA-N -1 0 318.337 -0.548 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCC[C@H]1CNC(C)=O ZINC000946254421 678486009 /nfs/dbraw/zinc/48/60/09/678486009.db2.gz RLRIUKPDJZWJFG-DTWKUNHWSA-N -1 0 324.337 -0.069 20 0 DBADRM CC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000946253929 678486020 /nfs/dbraw/zinc/48/60/20/678486020.db2.gz QCRUHRVIOXOOQK-ZJUUUORDSA-N -1 0 318.337 -0.548 20 0 DBADRM NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccccc1O ZINC000946294930 678499255 /nfs/dbraw/zinc/49/92/55/678499255.db2.gz UUYRMESXZAQIDU-MWLCHTKSSA-N -1 0 305.334 -0.108 20 0 DBADRM CC(C)C(=O)N1CC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000997770682 678509705 /nfs/dbraw/zinc/50/97/05/678509705.db2.gz RCYDLXJSUVDIKC-UHFFFAOYSA-N -1 0 318.337 -0.946 20 0 DBADRM C[C@H](NC(=O)c1cnon1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000997807381 678514150 /nfs/dbraw/zinc/51/41/50/678514150.db2.gz CHOBKJQSEWLUSY-QMMMGPOBSA-N -1 0 321.341 -0.076 20 0 DBADRM Cc1cocc1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000997832743 678521343 /nfs/dbraw/zinc/52/13/43/678521343.db2.gz IGSZGWYJPGLUJK-UHFFFAOYSA-N -1 0 319.277 -0.561 20 0 DBADRM CC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000946410835 678530844 /nfs/dbraw/zinc/53/08/44/678530844.db2.gz MBWOAHKYIXAHNT-UWVGGRQHSA-N -1 0 311.342 -0.500 20 0 DBADRM O=C(c1csc(=O)[nH]1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032577245 678533295 /nfs/dbraw/zinc/53/32/95/678533295.db2.gz WZHKNJWFZPMJCJ-BQBZGAKWSA-N -1 0 322.350 -0.229 20 0 DBADRM Cc1coc(C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)c1 ZINC000997960351 678543023 /nfs/dbraw/zinc/54/30/23/678543023.db2.gz YVUOPICZUKBUKJ-UHFFFAOYSA-N -1 0 321.293 -0.768 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC(NC(=O)c3cnon3)CC2)c1[O-] ZINC000946475537 678563458 /nfs/dbraw/zinc/56/34/58/678563458.db2.gz ATSSRIQODHRQLU-UHFFFAOYSA-N -1 0 320.309 -0.159 20 0 DBADRM O=C(c1n[nH]cc1F)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032610740 678576298 /nfs/dbraw/zinc/57/62/98/678576298.db2.gz UGMUNBOEVZSQGT-BQBZGAKWSA-N -1 0 307.289 -0.529 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3ncccn3)C2)c1[O-] ZINC000998265103 678580012 /nfs/dbraw/zinc/58/00/12/678580012.db2.gz GCZWZVOQASNHEG-UHFFFAOYSA-N -1 0 302.294 -0.532 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CC(NCc3cnn(C)n3)C2)c1[O-] ZINC000998637354 678622012 /nfs/dbraw/zinc/62/20/12/678622012.db2.gz JIMFPLAPUNZSML-UHFFFAOYSA-N -1 0 319.369 -0.055 20 0 DBADRM CC(C)[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000998819040 678649704 /nfs/dbraw/zinc/64/97/04/678649704.db2.gz SVMQULPHEKVSEN-RKDXNWHRSA-N -1 0 321.337 -0.485 20 0 DBADRM CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC000999026718 678665975 /nfs/dbraw/zinc/66/59/75/678665975.db2.gz AEPSJYHCWKVPDE-UTLUCORTSA-N -1 0 323.353 -0.263 20 0 DBADRM Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)n1 ZINC001032673442 678693798 /nfs/dbraw/zinc/69/37/98/678693798.db2.gz QWLDLWHZLACMNC-IUCAKERBSA-N -1 0 303.326 -0.359 20 0 DBADRM CC(=O)N(C)C1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001016138330 678693900 /nfs/dbraw/zinc/69/39/00/678693900.db2.gz QDHWMLNPBDLVFJ-UHFFFAOYSA-N -1 0 303.322 -0.238 20 0 DBADRM Cc1n[nH]c(C)c1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032687667 678696863 /nfs/dbraw/zinc/69/68/63/678696863.db2.gz QTTFFISMLDCCDS-UWVGGRQHSA-N -1 0 317.353 -0.051 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cccc(Br)n1 ZINC000921687205 678749534 /nfs/dbraw/zinc/74/95/34/678749534.db2.gz CAOCUCDMOVXJBG-UHFFFAOYSA-N -1 0 324.156 -0.200 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cc(F)c(OC)cc1F ZINC000921687590 678751284 /nfs/dbraw/zinc/75/12/84/678751284.db2.gz IBOLSTVVDWNECE-UHFFFAOYSA-N -1 0 310.278 -0.071 20 0 DBADRM Cc1ccn(CC(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)n1 ZINC000999970051 678780599 /nfs/dbraw/zinc/78/05/99/678780599.db2.gz YWFVVMCEELDCPL-UHFFFAOYSA-N -1 0 318.337 -0.431 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC000999984830 678783317 /nfs/dbraw/zinc/78/33/17/678783317.db2.gz PPOHMNAENYNWGL-VHSXEESVSA-N -1 0 322.369 -0.788 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H]2C[C@H]1CN2C/C=C\Cl ZINC001032754746 678813690 /nfs/dbraw/zinc/81/36/90/678813690.db2.gz NUHOCOYOQRAKRG-FXFPHERDSA-N -1 0 313.745 -0.273 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)c1[O-] ZINC001000329660 678834515 /nfs/dbraw/zinc/83/45/15/678834515.db2.gz TVQZCIFWGDEOOH-MXWKQRLJSA-N -1 0 320.349 -0.068 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnns1 ZINC001000475409 678844820 /nfs/dbraw/zinc/84/48/20/678844820.db2.gz IGOBGIHCRUDHPU-UHFFFAOYSA-N -1 0 321.366 -0.076 20 0 DBADRM Cn1[nH]c(CN2CC=C(CNC(=O)c3cocn3)CC2)nc1=O ZINC001000518307 678849372 /nfs/dbraw/zinc/84/93/72/678849372.db2.gz OAVJUZGDEWFSFL-UHFFFAOYSA-N -1 0 318.337 -0.342 20 0 DBADRM CNC(=O)CN1CC=C(CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001000587329 678857346 /nfs/dbraw/zinc/85/73/46/678857346.db2.gz IDAMDFWKDKNOOA-UHFFFAOYSA-N -1 0 307.354 -0.468 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001000776026 678873024 /nfs/dbraw/zinc/87/30/24/678873024.db2.gz UEGOZQFGJQSKAI-HTRCEHHLSA-N -1 0 307.310 -0.873 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cn[nH]c1 ZINC001001230275 678916712 /nfs/dbraw/zinc/91/67/12/678916712.db2.gz ZPMGSRXQPKMZKP-UHFFFAOYSA-N -1 0 305.342 -0.125 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3cnn(C)c3)C2)c1[O-] ZINC001001457017 678933566 /nfs/dbraw/zinc/93/35/66/678933566.db2.gz WKSSDMBTNGTSSC-UHFFFAOYSA-N -1 0 318.337 -0.341 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3ccn(C)n3)C2)c1[O-] ZINC001001463539 678933728 /nfs/dbraw/zinc/93/37/28/678933728.db2.gz QBMKLKPCIGXZEV-UHFFFAOYSA-N -1 0 318.337 -0.341 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3ncn(C)n3)C2)c1[O-] ZINC001001451786 678936396 /nfs/dbraw/zinc/93/63/96/678936396.db2.gz BHJCBOZCBGGVBW-UHFFFAOYSA-N -1 0 319.325 -0.946 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccc(=O)[nH]n1 ZINC001002287902 678975447 /nfs/dbraw/zinc/97/54/47/678975447.db2.gz HCVQRCLXBZCEQB-UHFFFAOYSA-N -1 0 319.325 -0.600 20 0 DBADRM Cc1cc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n(C)n1 ZINC001002427123 678981440 /nfs/dbraw/zinc/98/14/40/678981440.db2.gz RSUUBJFSSLLBSR-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM CC(=O)N(C)C[C@H]1CCCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001002677358 678995659 /nfs/dbraw/zinc/99/56/59/678995659.db2.gz WKWCETXTWHWMJH-SNVBAGLBSA-N -1 0 323.353 -0.315 20 0 DBADRM CC(=O)N(C)C[C@H]1CCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001002760382 679000455 /nfs/dbraw/zinc/00/04/55/679000455.db2.gz XGJGPHMERFPBSB-SNVBAGLBSA-N -1 0 308.338 -0.431 20 0 DBADRM CCO[C@H]1C[C@@H](NC(=O)NCC(=O)[N-]OC)C12CCOCC2 ZINC000922022259 679004836 /nfs/dbraw/zinc/00/48/36/679004836.db2.gz JHEOPPXSPQMRGM-MNOVXSKESA-N -1 0 315.370 -0.063 20 0 DBADRM CC1CC(C(=O)N2CC(CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC001003394540 679037527 /nfs/dbraw/zinc/03/75/27/679037527.db2.gz WQVSKWOKOOZXCX-UHFFFAOYSA-N -1 0 321.337 -0.483 20 0 DBADRM CC(C)=CC(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003393454 679037576 /nfs/dbraw/zinc/03/75/76/679037576.db2.gz LAAABOIYLLLQRL-UHFFFAOYSA-N -1 0 307.310 -0.563 20 0 DBADRM CC(C)CC(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003394136 679037585 /nfs/dbraw/zinc/03/75/85/679037585.db2.gz UWKHEIOOXXOZEA-UHFFFAOYSA-N -1 0 309.326 -0.483 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001003541429 679047854 /nfs/dbraw/zinc/04/78/54/679047854.db2.gz NRLIPGPYIKZVDM-WPRPVWTQSA-N -1 0 320.349 -0.670 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCOCC(F)(F)C(F)F ZINC000922204276 679050090 /nfs/dbraw/zinc/05/00/90/679050090.db2.gz DERUKRKKFKDUAV-UHFFFAOYSA-N -1 0 305.228 -0.120 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001014663020 679065175 /nfs/dbraw/zinc/06/51/75/679065175.db2.gz RFAJMRQXZOZFNJ-SCZZXKLOSA-N -1 0 323.353 -0.269 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001014663021 679065347 /nfs/dbraw/zinc/06/53/47/679065347.db2.gz RFAJMRQXZOZFNJ-WCBMZHEXSA-N -1 0 323.353 -0.269 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC1CCN(CCF)CC1 ZINC001003806545 679069244 /nfs/dbraw/zinc/06/92/44/679069244.db2.gz VCEBVRNAXFTONG-UHFFFAOYSA-N -1 0 322.344 -0.379 20 0 DBADRM CN(C(=O)c1cnn(C)c1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032908117 679077634 /nfs/dbraw/zinc/07/76/34/679077634.db2.gz UWMDNAHZASMLQQ-SNVBAGLBSA-N -1 0 305.342 -0.410 20 0 DBADRM CN(C(=O)Cc1cnn(C)c1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032946860 679084645 /nfs/dbraw/zinc/08/46/45/679084645.db2.gz NCWKDIUARLLIQZ-LLVKDONJSA-N -1 0 319.369 -0.481 20 0 DBADRM CN(C(=O)[C@@H]1CCCOC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032954956 679085336 /nfs/dbraw/zinc/08/53/36/679085336.db2.gz IFHMQDIFUDVSNX-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1nn(C)cc1C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032961673 679089026 /nfs/dbraw/zinc/08/90/26/679089026.db2.gz HCCWMBCSHIPNHP-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CC(=O)N(C)C1CCC(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001003965636 679094438 /nfs/dbraw/zinc/09/44/38/679094438.db2.gz PVWVQEHARWKYDV-UHFFFAOYSA-N -1 0 311.342 -0.405 20 0 DBADRM C[C@@H](C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001033018957 679100408 /nfs/dbraw/zinc/10/04/08/679100408.db2.gz CEFXMAMMWDFQJQ-VHSXEESVSA-N -1 0 320.357 -0.604 20 0 DBADRM COc1cc(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001033027415 679103382 /nfs/dbraw/zinc/10/33/82/679103382.db2.gz YAXXTNPYBAMHRK-MRVPVSSYSA-N -1 0 322.325 -0.147 20 0 DBADRM CN(C(=O)c1cncnc1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033033796 679105612 /nfs/dbraw/zinc/10/56/12/679105612.db2.gz SDQREJMYLJTTHB-JTQLQIEISA-N -1 0 303.326 -0.353 20 0 DBADRM Cc1cc(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1 ZINC001033050582 679112559 /nfs/dbraw/zinc/11/25/59/679112559.db2.gz WQLFKKPCBWXLJB-NSHDSACASA-N -1 0 317.353 -0.045 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCC(N(C)C(=O)C(N)=O)CC2)c1[O-] ZINC001004206608 679116526 /nfs/dbraw/zinc/11/65/26/679116526.db2.gz RCHMYYUFIQAYNN-UHFFFAOYSA-N -1 0 323.353 -0.592 20 0 DBADRM COc1cc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cnc1Cl ZINC000841782745 805577731 /nfs/dbraw/zinc/57/77/31/805577731.db2.gz BHXWFFLXLGBTRM-JTQLQIEISA-N -1 0 324.742 -0.143 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001295699329 805585252 /nfs/dbraw/zinc/58/52/52/805585252.db2.gz DSTFSDNXUWJQEJ-RZCNENHTSA-N -1 0 323.353 -0.380 20 0 DBADRM CC(C)=CC(=O)NC[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001295738980 805588117 /nfs/dbraw/zinc/58/81/17/805588117.db2.gz FREUPWCKVOYXTP-JTQLQIEISA-N -1 0 323.353 -0.380 20 0 DBADRM NC(=O)CO[N-]C(=O)Cn1ccc(Br)cc1=O ZINC001295745026 805589534 /nfs/dbraw/zinc/58/95/34/805589534.db2.gz IEBOHYFIWBVOTO-UHFFFAOYSA-N -1 0 304.100 -0.856 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)cn1 ZINC000842292740 805589949 /nfs/dbraw/zinc/58/99/49/805589949.db2.gz JCWCWSFBNMVQKI-UHFFFAOYSA-N -1 0 313.335 -0.061 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000842357505 805590755 /nfs/dbraw/zinc/59/07/55/805590755.db2.gz BBLUNPGJQYCUNX-MRVPVSSYSA-N -1 0 318.351 -0.994 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000842334214 805591106 /nfs/dbraw/zinc/59/11/06/805591106.db2.gz QAOHPSFGMGBECN-SFYZADRCSA-N -1 0 323.367 -0.028 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](N(C)C(=O)CC(N)=O)C2)c1[O-] ZINC001295783863 805591438 /nfs/dbraw/zinc/59/14/38/805591438.db2.gz NMYUQXNYSLSVAW-SECBINFHSA-N -1 0 323.353 -0.638 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000842713185 805596455 /nfs/dbraw/zinc/59/64/55/805596455.db2.gz DVTYCAOAVNYEFY-JTQLQIEISA-N -1 0 304.368 -0.520 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000842697530 805596841 /nfs/dbraw/zinc/59/68/41/805596841.db2.gz WGEFRLIBKUSDDW-QMMMGPOBSA-N -1 0 315.351 -0.075 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000842698478 805596851 /nfs/dbraw/zinc/59/68/51/805596851.db2.gz ZOWLVCPSOMRVKJ-UHFFFAOYSA-N -1 0 322.383 -0.199 20 0 DBADRM CC(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000842713793 805597537 /nfs/dbraw/zinc/59/75/37/805597537.db2.gz FAYQMZGTKNYDOX-VIFPVBQESA-N -1 0 312.413 -0.488 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000842722493 805597924 /nfs/dbraw/zinc/59/79/24/805597924.db2.gz KSJOQYDRJCSXQI-JTQLQIEISA-N -1 0 303.384 -0.300 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)C2CCCC2)S1(=O)=O ZINC000842733700 805598310 /nfs/dbraw/zinc/59/83/10/805598310.db2.gz MWOPXFVYXXTLTM-VIFPVBQESA-N -1 0 310.397 -0.591 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)Cc1nc(C2CC2)nn1C ZINC000842722924 805598349 /nfs/dbraw/zinc/59/83/49/805598349.db2.gz ASMCLEWBBZCVOP-UHFFFAOYSA-N -1 0 301.372 -0.452 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000842715962 805598372 /nfs/dbraw/zinc/59/83/72/805598372.db2.gz JMAGLZIJJBJSKK-ONGXEEELSA-N -1 0 318.395 -0.132 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)C1 ZINC000842763749 805599924 /nfs/dbraw/zinc/59/99/24/805599924.db2.gz CEDIQHJYTPBFGR-IWSPIJDZSA-N -1 0 305.352 -0.001 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000842771147 805600407 /nfs/dbraw/zinc/60/04/07/805600407.db2.gz FVFWULFFZNYKMV-BDAKNGLRSA-N -1 0 309.322 -0.733 20 0 DBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)[C@H]3CCCOC3)(C1)C2 ZINC000842756389 805600535 /nfs/dbraw/zinc/60/05/35/805600535.db2.gz GLTUERUYYGDUAW-ALXWSUNGSA-N -1 0 317.363 -0.045 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cn(C2CCC2)nn1 ZINC000842769553 805600656 /nfs/dbraw/zinc/60/06/56/805600656.db2.gz BMBCPULRGUZFMH-UHFFFAOYSA-N -1 0 311.327 -0.750 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cc(OC)ccn1 ZINC000842797032 805600997 /nfs/dbraw/zinc/60/09/97/805600997.db2.gz DLZNXWMJRFFTCK-UHFFFAOYSA-N -1 0 302.308 -0.287 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000842774921 805601451 /nfs/dbraw/zinc/60/14/51/805601451.db2.gz UTJQTIICQWJMTK-KOLCDFICSA-N -1 0 318.395 -0.132 20 0 DBADRM CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000842810767 805602662 /nfs/dbraw/zinc/60/26/62/805602662.db2.gz WWRWIDARGYUYKV-MRVPVSSYSA-N -1 0 310.397 -0.591 20 0 DBADRM CN(CCN1CCCS1(=O)=O)NCCC(C)(C)C(=O)[O-] ZINC000843043730 805606850 /nfs/dbraw/zinc/60/68/50/805606850.db2.gz FLCMWLJHVPVZPR-UHFFFAOYSA-N -1 0 307.416 -0.041 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000843259017 805613279 /nfs/dbraw/zinc/61/32/79/805613279.db2.gz HMAGVJCBUHFGOD-KXUCPTDWSA-N -1 0 311.338 -0.955 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C=C1CCC1 ZINC001296166028 805615972 /nfs/dbraw/zinc/61/59/72/805615972.db2.gz UUBVUVQGAJRJLL-UHFFFAOYSA-N -1 0 307.310 -0.419 20 0 DBADRM Cn1nccc1[C@@H](NS(=O)(=O)C[C@H]1CCCOC1)C(=O)[O-] ZINC000843304862 805616903 /nfs/dbraw/zinc/61/69/03/805616903.db2.gz QNRXAOKUCJNYQI-GXSJLCMTSA-N -1 0 317.367 -0.108 20 0 DBADRM C[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C(=O)[O-] ZINC000843334716 805617650 /nfs/dbraw/zinc/61/76/50/805617650.db2.gz KMHMPJGBZHOVQV-NXEZZACHSA-N -1 0 309.322 -0.504 20 0 DBADRM Cc1cc(CNC(=O)COCC(=O)[O-])ccc1S(N)(=O)=O ZINC000843333400 805617892 /nfs/dbraw/zinc/61/78/92/805617892.db2.gz YZHDODZIYNDQHN-UHFFFAOYSA-N -1 0 316.335 -0.640 20 0 DBADRM C[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C(=O)[O-] ZINC000843335933 805617976 /nfs/dbraw/zinc/61/79/76/805617976.db2.gz RTRZOIWUVDZLFF-DTWKUNHWSA-N -1 0 309.322 -0.733 20 0 DBADRM NC(=O)c1ccc(N2CCN(C(=O)COCC(=O)[O-])CC2)cc1 ZINC000843339143 805619054 /nfs/dbraw/zinc/61/90/54/805619054.db2.gz QGJRYMUJJFTCCN-UHFFFAOYSA-N -1 0 321.333 -0.465 20 0 DBADRM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc(=O)[nH][n-]2)C1 ZINC000844095971 805646487 /nfs/dbraw/zinc/64/64/87/805646487.db2.gz BQWZOMGYEUWOQB-JTQLQIEISA-N -1 0 306.244 -0.611 20 0 DBADRM CC[C@@H](CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000844157504 805650137 /nfs/dbraw/zinc/65/01/37/805650137.db2.gz CRLRWLOKOXFSHN-CYNONHLPSA-N -1 0 309.322 -0.676 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@]2(CC(=O)[O-])CCCOC2)S1(=O)=O ZINC000844155307 805650221 /nfs/dbraw/zinc/65/02/21/805650221.db2.gz MVUNPTZJOJDWKT-CABZTGNLSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])C1(C(=O)NCCS(=O)(=O)N2CCOCC2)CCC1 ZINC000844156124 805650310 /nfs/dbraw/zinc/65/03/10/805650310.db2.gz JAKDGHFQSPJJRQ-UHFFFAOYSA-N -1 0 320.367 -0.981 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)n1cncn1 ZINC000844158702 805650379 /nfs/dbraw/zinc/65/03/79/805650379.db2.gz WZKLNQNZDZYWHH-UWVGGRQHSA-N -1 0 319.325 -0.008 20 0 DBADRM CCCCOC(=O)[C@@H](C)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000844240344 805654466 /nfs/dbraw/zinc/65/44/66/805654466.db2.gz DPXQVYBOIHLVFM-NXEZZACHSA-N -1 0 307.368 -0.098 20 0 DBADRM CCCCOC(=O)CCN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000844240495 805654470 /nfs/dbraw/zinc/65/44/70/805654470.db2.gz GSQMMQRXRDFSCW-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000844244907 805654474 /nfs/dbraw/zinc/65/44/74/805654474.db2.gz FBRGJZNIGNPYCC-ZJUUUORDSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C([O-])C(=O)N1CCN(CC(=O)Nc2ccc(O)cc2)CC1 ZINC000844242322 805654478 /nfs/dbraw/zinc/65/44/78/805654478.db2.gz OPKYQRXRJWQVEM-UHFFFAOYSA-N -1 0 307.306 -0.441 20 0 DBADRM O=C([O-])COCC(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000844252159 805655124 /nfs/dbraw/zinc/65/51/24/805655124.db2.gz OGWDBTFXRCLVNN-UHFFFAOYSA-N -1 0 309.322 -0.364 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)Nc1ccccc1C(=O)NCCC(N)=O ZINC000844250029 805655137 /nfs/dbraw/zinc/65/51/37/805655137.db2.gz PXSNLFNVVGXICX-MRVPVSSYSA-N -1 0 307.306 -0.049 20 0 DBADRM C[C@@]1(c2ccc(NC(=O)COCC(=O)[O-])cc2)NC(=O)NC1=O ZINC000844247967 805655308 /nfs/dbraw/zinc/65/53/08/805655308.db2.gz ZKXSHNHRROSQJB-AWEZNQCLSA-N -1 0 321.289 -0.219 20 0 DBADRM COc1cccc(C(=O)NCCNC(=O)COCC(=O)[O-])c1 ZINC000844247551 805655510 /nfs/dbraw/zinc/65/55/10/805655510.db2.gz QHZQOOKCTXONSX-UHFFFAOYSA-N -1 0 310.306 -0.358 20 0 DBADRM O=C([O-])COCC(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000844249781 805655573 /nfs/dbraw/zinc/65/55/73/805655573.db2.gz NJOCEVMJWXABIJ-UHFFFAOYSA-N -1 0 312.297 -0.298 20 0 DBADRM O=C([O-])COCC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000844245841 805655602 /nfs/dbraw/zinc/65/56/02/805655602.db2.gz UQTWXZXSDVDOHF-NSHDSACASA-N -1 0 314.338 -0.673 20 0 DBADRM C[C@@]1(c2cccc(NC(=O)COCC(=O)[O-])c2)NC(=O)NC1=O ZINC000844249177 805655611 /nfs/dbraw/zinc/65/56/11/805655611.db2.gz GAAXGEPPMPDPRV-AWEZNQCLSA-N -1 0 321.289 -0.219 20 0 DBADRM COCC(=O)Nc1cccc(CNC(=O)COCC(=O)[O-])c1 ZINC000844248741 805655633 /nfs/dbraw/zinc/65/56/33/805655633.db2.gz AXASJVFLNSHBDB-UHFFFAOYSA-N -1 0 310.306 -0.011 20 0 DBADRM O=C([O-])COCC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000844247535 805655659 /nfs/dbraw/zinc/65/56/59/805655659.db2.gz NJGGMLNPQQOTPR-UHFFFAOYSA-N -1 0 322.317 -0.222 20 0 DBADRM C/C=C(/C)C(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001296928780 805657329 /nfs/dbraw/zinc/65/73/29/805657329.db2.gz NTRHZMCOURFLPM-CHDHTGKKSA-N -1 0 321.337 -0.030 20 0 DBADRM C/C(=C\C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC001297007241 805659791 /nfs/dbraw/zinc/65/97/91/805659791.db2.gz WDIYVUZQQFKOGW-XBXARRHUSA-N -1 0 321.337 -0.627 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1c(OC)ncnc1N(C)C ZINC000844559306 805664101 /nfs/dbraw/zinc/66/41/01/805664101.db2.gz GSEIVNAORUNGIG-UHFFFAOYSA-N -1 0 312.330 -0.260 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1ncc(C(=O)OCC)n1C ZINC000844659433 805665474 /nfs/dbraw/zinc/66/54/74/805665474.db2.gz SWKIBVGTBCDATN-UHFFFAOYSA-N -1 0 313.314 -0.214 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1cccc(C(N)=O)c1OC ZINC000844616237 805665492 /nfs/dbraw/zinc/66/54/92/805665492.db2.gz GZQMKHITAROCPS-UHFFFAOYSA-N -1 0 310.310 -0.017 20 0 DBADRM CC(C)N(C)S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000844818296 805672761 /nfs/dbraw/zinc/67/27/61/805672761.db2.gz VYPACGRRAXFHAJ-SECBINFHSA-N -1 0 302.356 -0.353 20 0 DBADRM COC1(C(=O)[O-])CCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)CC1 ZINC000844800051 805672694 /nfs/dbraw/zinc/67/26/94/805672694.db2.gz VYOBKEPMFIGWCO-SECBINFHSA-N -1 0 322.383 -0.642 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1nc2nc(C)cc(C)n2n1 ZINC000844779009 805671583 /nfs/dbraw/zinc/67/15/83/805671583.db2.gz DEISFIRAIHXXNV-UHFFFAOYSA-N -1 0 307.314 -0.070 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000844793943 805672328 /nfs/dbraw/zinc/67/23/28/805672328.db2.gz VRABBMANMKKNLF-RKDXNWHRSA-N -1 0 316.335 -0.311 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CN1CCNCC1=O ZINC000844931247 805674627 /nfs/dbraw/zinc/67/46/27/805674627.db2.gz BZPDZDSJQFSCJA-LBPRGKRZSA-N -1 0 305.334 -0.770 20 0 DBADRM C/C=C(/C)C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001297183432 805685304 /nfs/dbraw/zinc/68/53/04/805685304.db2.gz VSTBYGGTNRBBEQ-CLTKARDFSA-N -1 0 307.310 -0.563 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845454964 805705066 /nfs/dbraw/zinc/70/50/66/805705066.db2.gz MDQZWKVVYOYZML-UHFFFAOYSA-N -1 0 302.356 -0.765 20 0 DBADRM CC(C)CS(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845456064 805705172 /nfs/dbraw/zinc/70/51/72/805705172.db2.gz FKHVQUXOXXEGNR-UHFFFAOYSA-N -1 0 316.383 -0.517 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCCCC1 ZINC000845478639 805705949 /nfs/dbraw/zinc/70/59/49/805705949.db2.gz YURRNVOYIXKGEU-UHFFFAOYSA-N -1 0 316.387 -0.355 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)C[C@@H](OC)C(F)(F)F ZINC000845500996 805707454 /nfs/dbraw/zinc/70/74/54/805707454.db2.gz APEZOZDRQJMNCX-ZCFIWIBFSA-N -1 0 321.273 -0.037 20 0 DBADRM CO[C@@H](CC(=O)[N-]S(=O)(=O)c1cnnn1C)C(F)(F)F ZINC000845523973 805708564 /nfs/dbraw/zinc/70/85/64/805708564.db2.gz PESSQTGNPBPMST-YFKPBYRVSA-N -1 0 316.261 -0.413 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@@H](C)n1ccnc1 ZINC000845512799 805708846 /nfs/dbraw/zinc/70/88/46/805708846.db2.gz GEPZPHRGTNDUBO-BDAKNGLRSA-N -1 0 303.340 -0.158 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@H](OC(=O)N(C)C)C1 ZINC000845530439 805709416 /nfs/dbraw/zinc/70/94/16/805709416.db2.gz NADWEHKHKFTHNM-VIFPVBQESA-N -1 0 302.331 -0.464 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000845536426 805711230 /nfs/dbraw/zinc/71/12/30/805711230.db2.gz ZIBAIWUFNLOYKQ-WDEREUQCSA-N -1 0 301.343 -0.357 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000845544274 805713121 /nfs/dbraw/zinc/71/31/21/805713121.db2.gz JGYKEFAJEGZRFU-GFCCVEGCSA-N -1 0 314.386 -0.440 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000845541161 805713372 /nfs/dbraw/zinc/71/33/72/805713372.db2.gz UKKKXXYZCXLXLC-SNVBAGLBSA-N -1 0 317.342 -0.725 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000845546906 805713966 /nfs/dbraw/zinc/71/39/66/805713966.db2.gz YYYGHEGPNFBRJR-LLVKDONJSA-N -1 0 312.370 -0.150 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(CC)[C@@H](C)CS(C)(=O)=O ZINC000845546384 805714334 /nfs/dbraw/zinc/71/43/34/805714334.db2.gz SJJPKGXJSIRRHB-VIFPVBQESA-N -1 0 309.388 -0.481 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@H](NC(=O)OCC)C1 ZINC000845550379 805715290 /nfs/dbraw/zinc/71/52/90/805715290.db2.gz FWYXCBAUBGEGDH-JTQLQIEISA-N -1 0 316.358 -0.026 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(c2cccnn2)CC1 ZINC000845549949 805715349 /nfs/dbraw/zinc/71/53/49/805715349.db2.gz HUGUWKPKXZSPQQ-UHFFFAOYSA-N -1 0 308.342 -0.624 20 0 DBADRM Cc1nc(C)n(C2CN(C(=O)c3c[n-]n4c3nccc4=O)C2)n1 ZINC001297764526 805728443 /nfs/dbraw/zinc/72/84/43/805728443.db2.gz JMLYLNBMDCDNCJ-UHFFFAOYSA-N -1 0 313.321 -0.072 20 0 DBADRM CCOCCO[N-]C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 ZINC000845958867 805737856 /nfs/dbraw/zinc/73/78/56/805737856.db2.gz TZJUGRUHHFTXSJ-JTQLQIEISA-N -1 0 315.301 -0.604 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccsc1C(=O)OC ZINC000846001792 805739259 /nfs/dbraw/zinc/73/92/59/805739259.db2.gz HGOURFUQOAFUJS-UHFFFAOYSA-N -1 0 322.364 -0.119 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cccnc1C(=O)OC ZINC000846002707 805740177 /nfs/dbraw/zinc/74/01/77/805740177.db2.gz LCWKVFDMIYVDQM-UHFFFAOYSA-N -1 0 317.323 -0.786 20 0 DBADRM CC(C)(CO)O[N-]C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001298078212 805743786 /nfs/dbraw/zinc/74/37/86/805743786.db2.gz RJYQSPAHYHDPGE-SNVBAGLBSA-N -1 0 315.351 -0.465 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000846131081 805745033 /nfs/dbraw/zinc/74/50/33/805745033.db2.gz HQWBFJKMTDUUOC-FKTZTGRPSA-N -1 0 302.352 -0.392 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1scnc1CC ZINC000846132809 805745633 /nfs/dbraw/zinc/74/56/33/805745633.db2.gz DGYBBBSZQXNBMF-UHFFFAOYSA-N -1 0 300.340 -0.172 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(Cl)nc1 ZINC000846131943 805745664 /nfs/dbraw/zinc/74/56/64/805745664.db2.gz VKTJHMSYGBHOOU-UHFFFAOYSA-N -1 0 300.702 -0.143 20 0 DBADRM CCCc1nnc(SCC(=O)NCC(=O)[N-]OCC)n1N ZINC000846492119 805756852 /nfs/dbraw/zinc/75/68/52/805756852.db2.gz WCDYMFIBYLOCLQ-UHFFFAOYSA-N -1 0 316.387 -0.780 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNC(=O)c1ccc(F)cc1F ZINC000846492982 805756989 /nfs/dbraw/zinc/75/69/89/805756989.db2.gz JIBCPHSLLYBXSN-UHFFFAOYSA-N -1 0 315.276 -0.122 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CN1CCc2ccccc2C1=O ZINC000846491874 805757048 /nfs/dbraw/zinc/75/70/48/805757048.db2.gz WZIOFUSMRDHHIB-UHFFFAOYSA-N -1 0 305.334 -0.131 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000846493466 805757207 /nfs/dbraw/zinc/75/72/07/805757207.db2.gz GNGGPBOHZDQXCJ-UHFFFAOYSA-N -1 0 319.339 -0.673 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1c(Br)cnn1C ZINC000846492013 805757213 /nfs/dbraw/zinc/75/72/13/805757213.db2.gz WZQAHQKJAQYTEW-UHFFFAOYSA-N -1 0 305.132 -0.020 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000846490738 805757330 /nfs/dbraw/zinc/75/73/30/805757330.db2.gz KYVBGLZXEYOAFN-SNVBAGLBSA-N -1 0 307.354 -0.098 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000846496819 805757835 /nfs/dbraw/zinc/75/78/35/805757835.db2.gz ODFOXKMGLSFZBU-UHFFFAOYSA-N -1 0 305.290 -0.290 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNC(=O)NC1CCCCC1 ZINC000846497581 805757927 /nfs/dbraw/zinc/75/79/27/805757927.db2.gz QRXYZYDAOWZUNM-UHFFFAOYSA-N -1 0 300.359 -0.198 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000846497288 805758454 /nfs/dbraw/zinc/75/84/54/805758454.db2.gz KSGAPNOIJSEMIB-UHFFFAOYSA-N -1 0 301.324 -0.869 20 0 DBADRM CCO[N-]C(=O)CNC(=O)/C=C/c1cncc(C(=O)NC)c1 ZINC000846497133 805758548 /nfs/dbraw/zinc/75/85/48/805758548.db2.gz VLNSQBHRNGFPQF-SNAWJCMRSA-N -1 0 306.322 -0.362 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C[C@@H](NC(N)=O)c1ccccc1 ZINC000846499839 805758921 /nfs/dbraw/zinc/75/89/21/805758921.db2.gz YRFZVSUUBQRGTE-LLVKDONJSA-N -1 0 308.338 -0.030 20 0 DBADRM CCNC(=O)NC1(C(=O)NCC(=O)[N-]OCC)CCCC1 ZINC000846497971 805759019 /nfs/dbraw/zinc/75/90/19/805759019.db2.gz MCJHXQLFNGLOCU-UHFFFAOYSA-N -1 0 300.359 -0.198 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000846499748 805759075 /nfs/dbraw/zinc/75/90/75/805759075.db2.gz WBGMGMRYDYEZLO-UHFFFAOYSA-N -1 0 307.353 -0.807 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000846498039 805759292 /nfs/dbraw/zinc/75/92/92/805759292.db2.gz GNWHYOINZGSRPH-JTQLQIEISA-N -1 0 321.333 -0.016 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000846498449 805759556 /nfs/dbraw/zinc/75/95/56/805759556.db2.gz XOAHTDFBSMSCLP-ZETCQYMHSA-N -1 0 314.371 -0.328 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000846706435 805771391 /nfs/dbraw/zinc/77/13/91/805771391.db2.gz YTUCHVGHNZXRNO-CYBMUJFWSA-N -1 0 319.379 -0.025 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCCc2c1ccc(=O)n2C ZINC000846742016 805774690 /nfs/dbraw/zinc/77/46/90/805774690.db2.gz HYDVANAOCGMRBA-NSHDSACASA-N -1 0 323.349 -0.427 20 0 DBADRM CC(C)C(=O)NC/C=C\CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001298267921 805775276 /nfs/dbraw/zinc/77/52/76/805775276.db2.gz RAVDCOFHMLZXNM-ARJAWSKDSA-N -1 0 323.353 -0.340 20 0 DBADRM C[C@@H](C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001298335312 805789094 /nfs/dbraw/zinc/78/90/94/805789094.db2.gz QFKRHDIWYFVBRR-YAJNLLPGSA-N -1 0 321.337 -0.269 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000847389979 805797190 /nfs/dbraw/zinc/79/71/90/805797190.db2.gz VENNRPKNAWVXOM-SECBINFHSA-N -1 0 300.315 -0.664 20 0 DBADRM CN(C)c1cnc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cn1 ZINC000847669611 805812157 /nfs/dbraw/zinc/81/21/57/805812157.db2.gz IWDLCOWFFZTJNF-SECBINFHSA-N -1 0 314.367 -0.361 20 0 DBADRM CCC(CC)S(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC000847648867 805810820 /nfs/dbraw/zinc/81/08/20/805810820.db2.gz XEKAFMWNZQQXCB-UHFFFAOYSA-N -1 0 304.372 -0.475 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc2c(n1)OCCO2 ZINC000847644569 805810927 /nfs/dbraw/zinc/81/09/27/805810927.db2.gz QJGCWIPUIASMML-UHFFFAOYSA-N -1 0 316.291 -0.915 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnc(N(C)C)cn1 ZINC000847660715 805811226 /nfs/dbraw/zinc/81/12/26/805811226.db2.gz XCZYIVIORKUQMC-UHFFFAOYSA-N -1 0 317.371 -0.905 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(OC)cnc1F ZINC000847680059 805811707 /nfs/dbraw/zinc/81/17/07/805811707.db2.gz BYAFEYILQBQKTM-LURJTMIESA-N -1 0 320.298 -0.150 20 0 DBADRM COc1cncc(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)n1 ZINC000847848838 805816528 /nfs/dbraw/zinc/81/65/28/805816528.db2.gz MCQAPONWPZXFQZ-UHFFFAOYSA-N -1 0 311.323 -0.522 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C(=O)O1 ZINC000848078969 805825297 /nfs/dbraw/zinc/82/52/97/805825297.db2.gz YJWYFKTXTDCAIW-XRGYYRRGSA-N -1 0 304.262 -0.130 20 0 DBADRM CC(C)COCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996619 805819020 /nfs/dbraw/zinc/81/90/20/805819020.db2.gz QBUHXYHQFRTMES-UHFFFAOYSA-N -1 0 319.339 -0.359 20 0 DBADRM COCC1(CC(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CC1 ZINC000847998243 805819986 /nfs/dbraw/zinc/81/99/86/805819986.db2.gz QJZVOSBDEFIAPH-UHFFFAOYSA-N -1 0 317.323 -0.605 20 0 DBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCSC2)on1 ZINC000847997974 805820015 /nfs/dbraw/zinc/82/00/15/805820015.db2.gz HATJFTGDHBGFCI-LURJTMIESA-N -1 0 319.364 -0.278 20 0 DBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CC1(F)F ZINC000847997867 805820308 /nfs/dbraw/zinc/82/03/08/805820308.db2.gz CYQYRWFYIHRZBP-QMMMGPOBSA-N -1 0 309.250 -0.376 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C1=C(C)N(C)c2nnnn2[C@H]1C ZINC000848242342 805831797 /nfs/dbraw/zinc/83/17/97/805831797.db2.gz CXYAGFBRJDVLNK-QMMMGPOBSA-N -1 0 309.330 -0.858 20 0 DBADRM NC(=O)[C@@]1(NC(=O)CSc2n[n-]c(=S)s2)CCOC1 ZINC000848318437 805834989 /nfs/dbraw/zinc/83/49/89/805834989.db2.gz RKTSZEGCQXHGKK-SECBINFHSA-N -1 0 320.421 -0.321 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC000848446060 805838573 /nfs/dbraw/zinc/83/85/73/805838573.db2.gz IUVNHCCWWDJHFM-ZDUSSCGKSA-N -1 0 302.294 -0.006 20 0 DBADRM CC(C)[C@H](CNC(=O)NC[C@H]1CC(C(N)=O)=NO1)C(=O)[O-] ZINC000848582469 805841353 /nfs/dbraw/zinc/84/13/53/805841353.db2.gz MGHVJNQRJXCWRC-SFYZADRCSA-N -1 0 300.315 -0.727 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])[C@@H]1C ZINC000848608513 805842273 /nfs/dbraw/zinc/84/22/73/805842273.db2.gz ADMMAUQKZWWLCY-IWSPIJDZSA-N -1 0 300.311 -0.767 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC(CCCO)CC1)C(=O)[O-] ZINC000848611136 805842908 /nfs/dbraw/zinc/84/29/08/805842908.db2.gz SGEWBBXQPZCQKT-JTQLQIEISA-N -1 0 300.355 -0.166 20 0 DBADRM CON(CC1CCOCC1)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000848611623 805843159 /nfs/dbraw/zinc/84/31/59/805843159.db2.gz XEQMNXLBMJGRMT-VIFPVBQESA-N -1 0 302.327 -0.360 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1)C(=O)[O-] ZINC000848612255 805843178 /nfs/dbraw/zinc/84/31/78/805843178.db2.gz YMHKUCDEXBSSTP-BYPYZUCNSA-N -1 0 323.231 -0.723 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])cn1C ZINC000848680115 805845885 /nfs/dbraw/zinc/84/58/85/805845885.db2.gz AIDMCOVQISIKCA-QMMMGPOBSA-N -1 0 322.314 -0.097 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)[C@@H]2CCCS2(=O)=O)CCCOC1 ZINC000848876908 805852012 /nfs/dbraw/zinc/85/20/12/805852012.db2.gz OZALOBSIXBOUPZ-JOYOIKCWSA-N -1 0 305.352 -0.296 20 0 DBADRM O=C(NC[C@H](O)Cn1ccnn1)c1n[n-]c2ccccc2c1=O ZINC001299095691 805859609 /nfs/dbraw/zinc/85/96/09/805859609.db2.gz HNAIVRYCXAGYOZ-VIFPVBQESA-N -1 0 314.305 -0.282 20 0 DBADRM O=C([O-])[C@]1(F)CN(S(=O)(=O)N2CCOCC2)CC12CCC2 ZINC000849333201 805863604 /nfs/dbraw/zinc/86/36/04/805863604.db2.gz CWYLQAKXMCDASM-GFCCVEGCSA-N -1 0 322.358 -0.158 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000849401440 805870683 /nfs/dbraw/zinc/87/06/83/805870683.db2.gz XTMFHYQOJZIYFJ-ZJUUUORDSA-N -1 0 310.372 -0.975 20 0 DBADRM CNC(=O)CC(=O)N1CC[C@@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001299527213 805889572 /nfs/dbraw/zinc/88/95/72/805889572.db2.gz ONJTZAAICAAUBB-CQSZACIVSA-N -1 0 323.353 -0.719 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000850828858 805903274 /nfs/dbraw/zinc/90/32/74/805903274.db2.gz XCPQSIODMRYESL-UHFFFAOYSA-N -1 0 304.376 -0.257 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])O1 ZINC000850787040 805902549 /nfs/dbraw/zinc/90/25/49/805902549.db2.gz RUBBZIPNQYZXDO-MRVPVSSYSA-N -1 0 323.305 -0.014 20 0 DBADRM Cn1cc(CCC(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)nn1 ZINC000850811121 805903422 /nfs/dbraw/zinc/90/34/22/805903422.db2.gz VOWLGBBOJFSLEK-NSHDSACASA-N -1 0 316.383 -0.237 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)C1CCC(C(=O)N(C)C)CC1 ZINC000850834595 805904290 /nfs/dbraw/zinc/90/42/90/805904290.db2.gz KNSFTHIBMDWIHO-UHFFFAOYSA-N -1 0 320.411 -0.027 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H](OC)[C@H]1CCOC1 ZINC000850840868 805904466 /nfs/dbraw/zinc/90/44/66/805904466.db2.gz DWABJVRUEUNNOM-GXSJLCMTSA-N -1 0 323.367 -0.563 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)C1CCN(C(=O)OC)CC1 ZINC000850842573 805904524 /nfs/dbraw/zinc/90/45/24/805904524.db2.gz DRVDPPKKMSASBU-SECBINFHSA-N -1 0 322.383 -0.054 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCOC2 ZINC000850833854 805904763 /nfs/dbraw/zinc/90/47/63/805904763.db2.gz RWNRVJGCBYTNCS-UHFFFAOYSA-N -1 0 313.331 -0.008 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)NCc1nc(CO)n[nH]1 ZINC001301191907 805905074 /nfs/dbraw/zinc/90/50/74/805905074.db2.gz JTXAXGXLJFKMRJ-UHFFFAOYSA-N -1 0 318.409 -0.154 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)[N-]S(=O)(=O)CCCF)n1 ZINC000850870816 805905176 /nfs/dbraw/zinc/90/51/76/805905176.db2.gz KETAGXJUPLLFRY-UHFFFAOYSA-N -1 0 307.351 -0.224 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000850862943 805905482 /nfs/dbraw/zinc/90/54/82/805905482.db2.gz ZOUSHYCASRDYMG-HBNTYKKESA-N -1 0 317.411 -0.006 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](OC)C1 ZINC000850897200 805906270 /nfs/dbraw/zinc/90/62/70/805906270.db2.gz KOQVYXJWMHMCPG-QWRGUYRKSA-N -1 0 309.384 -0.090 20 0 DBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)n1 ZINC000850914257 805907023 /nfs/dbraw/zinc/90/70/23/805907023.db2.gz IOUVYSSQVJCYNZ-QMMMGPOBSA-N -1 0 317.371 -0.476 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC000850922649 805908010 /nfs/dbraw/zinc/90/80/10/805908010.db2.gz KTGYCBOKVBRHFG-SCZZXKLOSA-N -1 0 309.340 -0.953 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H](OC)[C@H]1CCOC1 ZINC000850922650 805908194 /nfs/dbraw/zinc/90/81/94/805908194.db2.gz KTGYCBOKVBRHFG-WCBMZHEXSA-N -1 0 309.340 -0.953 20 0 DBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](COC)OC)cn1 ZINC000850937856 805908243 /nfs/dbraw/zinc/90/82/43/805908243.db2.gz UIRRRUVFIRTBJO-SNVBAGLBSA-N -1 0 318.351 -0.053 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCc2cc(F)ccc21 ZINC000850940198 805908427 /nfs/dbraw/zinc/90/84/27/805908427.db2.gz IXLBJAOHCSUWAC-SNVBAGLBSA-N -1 0 300.311 -0.213 20 0 DBADRM O=C(Cn1cnnn1)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001302343748 805909762 /nfs/dbraw/zinc/90/97/62/805909762.db2.gz QROMGLVPJJGAHC-JTQLQIEISA-N -1 0 314.309 -0.403 20 0 DBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC ZINC000850959983 805909268 /nfs/dbraw/zinc/90/92/68/805909268.db2.gz YSQXGANOXYDFOG-CIUDSAMLSA-N -1 0 311.356 -0.709 20 0 DBADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cnnn1C)[C@@H]1CCCO1 ZINC000850972268 805909303 /nfs/dbraw/zinc/90/93/03/805909303.db2.gz QORIUELLYBUILG-IUCAKERBSA-N -1 0 302.356 -0.175 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc2n1CCC2 ZINC000850944035 805909469 /nfs/dbraw/zinc/90/94/69/805909469.db2.gz XPWOTVIBKJLUQI-SSDOTTSWSA-N -1 0 301.324 -0.550 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cnc2n1CCOC2 ZINC000850988240 805910108 /nfs/dbraw/zinc/91/01/08/805910108.db2.gz JRZBHAWUMOJIPE-QMMMGPOBSA-N -1 0 303.340 -0.492 20 0 DBADRM O=C(c1ccc2n[nH]c(=O)n2c1)N1CCC(c2nnn[n-]2)CC1 ZINC001302753404 805910214 /nfs/dbraw/zinc/91/02/14/805910214.db2.gz QGVJSULUFFKQFK-UHFFFAOYSA-N -1 0 314.309 -0.032 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccnn1C(F)F ZINC000851021056 805910696 /nfs/dbraw/zinc/91/06/96/805910696.db2.gz DCQXXDCUDLSTQW-UHFFFAOYSA-N -1 0 311.266 -0.099 20 0 DBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1 ZINC000851017925 805910704 /nfs/dbraw/zinc/91/07/04/805910704.db2.gz ZGKYCPIXBXTAHA-SNVBAGLBSA-N -1 0 314.323 -0.576 20 0 DBADRM COC[C@@H](NC(=O)C=C(C)CN1CCOCC1)c1nnn[n-]1 ZINC001303580140 805916121 /nfs/dbraw/zinc/91/61/21/805916121.db2.gz QIKROCDBQOOWQQ-ZJRUKIMVSA-N -1 0 310.358 -0.718 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2ccn3nnnc3c2)CC1 ZINC000851034690 805912111 /nfs/dbraw/zinc/91/21/11/805912111.db2.gz SJQMPNKHRKGHRA-UHFFFAOYSA-N -1 0 311.323 -0.637 20 0 DBADRM COCCCOCCC(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000851084627 805912919 /nfs/dbraw/zinc/91/29/19/805912919.db2.gz WEOIXKBWTFEZNQ-UHFFFAOYSA-N -1 0 319.383 -0.023 20 0 DBADRM COCCCOCCC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000851112840 805912982 /nfs/dbraw/zinc/91/29/82/805912982.db2.gz LLTOZFZXCZOBTO-UHFFFAOYSA-N -1 0 319.383 -0.191 20 0 DBADRM Cc1ccncc1S(=O)(=O)[N-]C(=O)CCc1cn(C)nn1 ZINC000851087622 805913030 /nfs/dbraw/zinc/91/30/30/805913030.db2.gz CNRWPWMMHBQOTC-UHFFFAOYSA-N -1 0 309.351 -0.044 20 0 DBADRM O=C(NCCc1cc[nH]n1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001303189772 805913191 /nfs/dbraw/zinc/91/31/91/805913191.db2.gz MNSAZTLHJYIEKP-UHFFFAOYSA-N -1 0 314.305 -0.038 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)C1CCC1 ZINC000851118481 805913634 /nfs/dbraw/zinc/91/36/34/805913634.db2.gz GNMXYOAQZZQTHT-VIFPVBQESA-N -1 0 317.323 -0.607 20 0 DBADRM CCC1(C(=O)[N-]S(=O)(=O)C2CCN(C(C)=O)CC2)COC1 ZINC000851136110 805913936 /nfs/dbraw/zinc/91/39/36/805913936.db2.gz MPCSCWCEUFETLV-UHFFFAOYSA-N -1 0 318.395 -0.130 20 0 DBADRM C/C(=C/C(=O)NC1(c2nnn[n-]2)CCC1)CN1CCOCC1 ZINC001303220717 805914093 /nfs/dbraw/zinc/91/40/93/805914093.db2.gz ADRQATZSHVBQEO-LUAWRHEFSA-N -1 0 306.370 -0.026 20 0 DBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)CC(F)F)CC1=O ZINC000851359336 805914317 /nfs/dbraw/zinc/91/43/17/805914317.db2.gz IVQQHTHYYWNLLK-ZETCQYMHSA-N -1 0 314.310 -0.808 20 0 DBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)CCc1ccccc1F ZINC000851325381 805914799 /nfs/dbraw/zinc/91/47/99/805914799.db2.gz RPULRAOQSUPFSH-UHFFFAOYSA-N -1 0 323.367 -0.141 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)[N-]S(=O)(=O)CC(F)F ZINC000851363593 805916056 /nfs/dbraw/zinc/91/60/56/805916056.db2.gz FARUANWCUVWCIU-UHFFFAOYSA-N -1 0 311.310 -0.403 20 0 DBADRM COc1cc(CS(=O)(=O)[N-]C(=O)[C@H](C)NC(C)=O)sn1 ZINC000851434619 805916711 /nfs/dbraw/zinc/91/67/11/805916711.db2.gz QRYQKDQUQJJALB-LURJTMIESA-N -1 0 321.380 -0.378 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1C ZINC000851499231 805917584 /nfs/dbraw/zinc/91/75/84/805917584.db2.gz NWHYVOFUJPLCRL-UHFFFAOYSA-N -1 0 319.383 -0.242 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)C(COC)COC ZINC000851499259 805917746 /nfs/dbraw/zinc/91/77/46/805917746.db2.gz OUMAFTNBGOAXKU-QMMMGPOBSA-N -1 0 310.372 -0.992 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)C(COC)COC)CCC1 ZINC000851500749 805917822 /nfs/dbraw/zinc/91/78/22/805917822.db2.gz WDDUNDFBBLWVEQ-UHFFFAOYSA-N -1 0 322.383 -0.990 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@]1(C)CCC(=O)NC1 ZINC000851502767 805918747 /nfs/dbraw/zinc/91/87/47/805918747.db2.gz UNBONLUXRSYPGO-LBPRGKRZSA-N -1 0 322.383 -0.990 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CCOC[C@H]1C ZINC000851501554 805918834 /nfs/dbraw/zinc/91/88/34/805918834.db2.gz AJUBGTYEKOUCGZ-KOLCDFICSA-N -1 0 309.384 -0.234 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CCOC[C@H]1C ZINC000851501555 805918888 /nfs/dbraw/zinc/91/88/88/805918888.db2.gz AJUBGTYEKOUCGZ-MWLCHTKSSA-N -1 0 309.384 -0.234 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CCOC[C@@H]1C ZINC000851501556 805918936 /nfs/dbraw/zinc/91/89/36/805918936.db2.gz AJUBGTYEKOUCGZ-ONGXEEELSA-N -1 0 309.384 -0.234 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)C(COC)COC)n1 ZINC000851504491 805919161 /nfs/dbraw/zinc/91/91/61/805919161.db2.gz ZHVVSUNTNLVVGR-UHFFFAOYSA-N -1 0 320.371 -0.673 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H](C)C1 ZINC000851503405 805919495 /nfs/dbraw/zinc/91/94/95/805919495.db2.gz YLYCEAMBOJBXPX-NXEZZACHSA-N -1 0 309.384 -0.091 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](OC)C1 ZINC000851504559 805919509 /nfs/dbraw/zinc/91/95/09/805919509.db2.gz YMJBQBFWMLNYQY-UWVGGRQHSA-N -1 0 309.384 -0.091 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C1(n2cnnn2)CCOCC1 ZINC000851605829 805921116 /nfs/dbraw/zinc/92/11/16/805921116.db2.gz GKHAWQGJSVFAHH-NXEZZACHSA-N -1 0 309.326 -0.500 20 0 DBADRM CO[N-]C(=O)CNC(=O)C[C@@H](CNC(=O)OC(C)(C)C)OC ZINC001304258800 805921322 /nfs/dbraw/zinc/92/13/22/805921322.db2.gz OOCMRENBIVDIHK-VIFPVBQESA-N -1 0 319.358 -0.290 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@]23OCCC[C@H]2C3(F)F)nn1 ZINC000851618425 805921609 /nfs/dbraw/zinc/92/16/09/805921609.db2.gz PAEXYUBCWYTBTK-KCJUWKMLSA-N -1 0 316.264 -0.093 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000851651360 805922145 /nfs/dbraw/zinc/92/21/45/805922145.db2.gz LGKSFFYZVRWWJJ-SBMIAAHKSA-N -1 0 320.367 -0.695 20 0 DBADRM O=C([N-]N1CC(=O)NC1=O)c1cnc2ccnn2c1C(F)F ZINC001306329030 805925434 /nfs/dbraw/zinc/92/54/34/805925434.db2.gz UGIGEYFUYDLCDX-UHFFFAOYSA-N -1 0 310.220 -0.137 20 0 DBADRM COC(=O)N(C)CCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000851683851 805925667 /nfs/dbraw/zinc/92/56/67/805925667.db2.gz PYQVOIFDGMIMDM-CYBMUJFWSA-N -1 0 315.326 -0.876 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000851684005 805925681 /nfs/dbraw/zinc/92/56/81/805925681.db2.gz UPYGHIQTWBHLRO-HQJQHLMTSA-N -1 0 306.265 -0.492 20 0 DBADRM Cc1occc(=O)c1OCC(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC001306659388 805926155 /nfs/dbraw/zinc/92/61/55/805926155.db2.gz CFICOQACEPEVGP-UHFFFAOYSA-N -1 0 308.294 -0.100 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000851687081 805926379 /nfs/dbraw/zinc/92/63/79/805926379.db2.gz LVMLYDWGAALNDV-VIFPVBQESA-N -1 0 311.338 -0.953 20 0 DBADRM COC(=O)c1c(NC(=O)C(OC)OC)n[n-]c1OCCO ZINC001306861235 805926717 /nfs/dbraw/zinc/92/67/17/805926717.db2.gz GAWJQASHAGETCB-UHFFFAOYSA-N -1 0 303.271 -0.875 20 0 DBADRM COCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851701561 805930745 /nfs/dbraw/zinc/93/07/45/805930745.db2.gz WGKBXCIWAAXSJR-POYBYMJQSA-N -1 0 312.244 -0.245 20 0 DBADRM COCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851701557 805931508 /nfs/dbraw/zinc/93/15/08/805931508.db2.gz WGKBXCIWAAXSJR-HTRCEHHLSA-N -1 0 312.244 -0.245 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CCC(=O)NC1=O ZINC001309330326 805935947 /nfs/dbraw/zinc/93/59/47/805935947.db2.gz LQZZRVYBXCPAIW-SSDOTTSWSA-N -1 0 311.385 -0.866 20 0 DBADRM CN1C(=O)C[C@H](NS(=O)(=O)c2cc([O-])cc(F)c2)C1=O ZINC001309492497 805937536 /nfs/dbraw/zinc/93/75/36/805937536.db2.gz HGGRUDLFVJFNSI-VIFPVBQESA-N -1 0 302.283 -0.433 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)C(=O)CCO2 ZINC001309914818 805942566 /nfs/dbraw/zinc/94/25/66/805942566.db2.gz AWOKAEUNFFLIKW-UHFFFAOYSA-N -1 0 314.319 -0.392 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N(C)CCCNC(=O)C1CCC1 ZINC001310736257 805944127 /nfs/dbraw/zinc/94/41/27/805944127.db2.gz DISALHKOIFHUHG-UHFFFAOYSA-N -1 0 309.374 -0.115 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccc(-c2nnnn2C)cc1 ZINC001311001192 805945197 /nfs/dbraw/zinc/94/51/97/805945197.db2.gz MEHMJVZVLCZNHT-UHFFFAOYSA-N -1 0 305.298 -0.324 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1cccc(S(C)(=O)=O)c1 ZINC001312694040 805954020 /nfs/dbraw/zinc/95/40/20/805954020.db2.gz LFTZLGUSGQAVDT-UHFFFAOYSA-N -1 0 315.351 -0.433 20 0 DBADRM COC(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852733402 805971837 /nfs/dbraw/zinc/97/18/37/805971837.db2.gz QAEYSOZNZRGAAM-POYBYMJQSA-N -1 0 312.244 -0.245 20 0 DBADRM CNC(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852737445 805972821 /nfs/dbraw/zinc/97/28/21/805972821.db2.gz SRNDXAMXRYDCBJ-XPUUQOCRSA-N -1 0 311.260 -0.672 20 0 DBADRM Cc1n[nH]c(C(=O)NCc2nc(CNCCF)cc(=O)[nH]2)c1[O-] ZINC001316716754 805978082 /nfs/dbraw/zinc/97/80/82/805978082.db2.gz VKTIFRILAJYARO-UHFFFAOYSA-N -1 0 324.316 -0.092 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000852960974 805994975 /nfs/dbraw/zinc/99/49/75/805994975.db2.gz WXFNBMPTBYFRLK-JTQLQIEISA-N -1 0 318.355 -0.520 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@H]3COC[C@]3(C)C2)C1 ZINC000852915175 805991325 /nfs/dbraw/zinc/99/13/25/805991325.db2.gz SFUTXDABKJXYQF-LKTVYLICSA-N -1 0 310.350 -0.196 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000852915493 805991516 /nfs/dbraw/zinc/99/15/16/805991516.db2.gz WNLIGVPJJCGLIT-HZMBPMFUSA-N -1 0 314.338 -0.817 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000852946448 805994100 /nfs/dbraw/zinc/99/41/00/805994100.db2.gz TVDDORGCWVPQAJ-KWQFWETISA-N -1 0 308.356 -0.984 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000852941103 805994163 /nfs/dbraw/zinc/99/41/63/805994163.db2.gz AGRBMDUIMZUEON-QMMMGPOBSA-N -1 0 307.372 -0.871 20 0 DBADRM CCN1C(=S)N=NC1CCNC(=O)[C@@](C)(OC)C(=O)[O-] ZINC000852948632 805994232 /nfs/dbraw/zinc/99/42/32/805994232.db2.gz GFIXPXLKMQVXNZ-LLVKDONJSA-N -1 0 302.356 -0.265 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CC1 ZINC000852950363 805994326 /nfs/dbraw/zinc/99/43/26/805994326.db2.gz ICUAGVLONAFCIY-GFCCVEGCSA-N -1 0 313.398 -0.034 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)NCCCCC(=O)[O-])C1 ZINC000852941292 805994359 /nfs/dbraw/zinc/99/43/59/805994359.db2.gz HDZOZUMBLPSJGJ-SECBINFHSA-N -1 0 307.372 -0.727 20 0 DBADRM NC(=O)c1ccc(/C=C/C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)o1 ZINC000852953721 805994745 /nfs/dbraw/zinc/99/47/45/805994745.db2.gz GTQFUEPCODLQKC-NRNWHVEZSA-N -1 0 320.301 -0.049 20 0 DBADRM O=C([O-])CN1CC[C@@H](n2cncc(Br)c2=O)C1=O ZINC000853003352 805995212 /nfs/dbraw/zinc/99/52/12/805995212.db2.gz JCBVZVAMBKYIIT-SSDOTTSWSA-N -1 0 316.111 -0.136 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)NC1(C(=O)[O-])CCOCC1 ZINC000852960354 805995330 /nfs/dbraw/zinc/99/53/30/805995330.db2.gz FWAXVGAGTJNLGR-VIFPVBQESA-N -1 0 302.352 -0.342 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1 ZINC000852950427 805995362 /nfs/dbraw/zinc/99/53/62/805995362.db2.gz KFLDTWJTTXHISL-OAHLLOKOSA-N -1 0 311.382 -0.280 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC000852952958 805995424 /nfs/dbraw/zinc/99/54/24/805995424.db2.gz YEHJEXFWPNDDHP-SNVBAGLBSA-N -1 0 312.322 -0.669 20 0 DBADRM NC(=O)c1ccc(/C=C/C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)o1 ZINC000853106827 805997862 /nfs/dbraw/zinc/99/78/62/805997862.db2.gz IWKGYANREUDPSO-LXOKAJLYSA-N -1 0 314.319 -0.373 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@H]2CC=C(C(=O)[O-])C2)cn1 ZINC000853069832 805997958 /nfs/dbraw/zinc/99/79/58/805997958.db2.gz SQXOMINDFYIHRC-JTQLQIEISA-N -1 0 315.351 -0.019 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC ZINC000853203162 806000887 /nfs/dbraw/zinc/00/08/87/806000887.db2.gz VPMJUXFKMRCICF-RKDXNWHRSA-N -1 0 310.372 -0.992 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(C)[nH]c1=O)OC ZINC000853203706 806000940 /nfs/dbraw/zinc/00/09/40/806000940.db2.gz HSUOKGNANQSETE-SECBINFHSA-N -1 0 318.351 -0.183 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CCO[C@H](C)C1)OC ZINC000853206954 806001738 /nfs/dbraw/zinc/00/17/38/806001738.db2.gz XIOSLWNOUDJMCJ-OUAUKWLOSA-N -1 0 309.384 -0.091 20 0 DBADRM CCOC1CC(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)C1 ZINC000853208052 806001954 /nfs/dbraw/zinc/00/19/54/806001954.db2.gz QFDVRHJWJZNKPY-VQXHTEKXSA-N -1 0 309.384 -0.091 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CCOCC(F)F)OC ZINC000853207640 806002351 /nfs/dbraw/zinc/00/23/51/806002351.db2.gz GDVMUXBEKPBFDJ-MRVPVSSYSA-N -1 0 319.326 -0.234 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H](C)C1)OC ZINC000853206952 806002494 /nfs/dbraw/zinc/00/24/94/806002494.db2.gz XIOSLWNOUDJMCJ-GMTAPVOTSA-N -1 0 309.384 -0.091 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)CC1 ZINC000853206630 806002546 /nfs/dbraw/zinc/00/25/46/806002546.db2.gz QQRHSBAQLWTAPU-SECBINFHSA-N -1 0 323.367 -0.563 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1c(C)cnn1C)OC ZINC000853209690 806002694 /nfs/dbraw/zinc/00/26/94/806002694.db2.gz QGOUWAQHJOOIRC-VIFPVBQESA-N -1 0 305.356 -0.550 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@]1(C)CCC(=O)NC1)OC ZINC000853208208 806002857 /nfs/dbraw/zinc/00/28/57/806002857.db2.gz RPTJYFZXHAJDHF-CABZTGNLSA-N -1 0 322.383 -0.990 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1nn(C)cc1C)OC ZINC000853209586 806002982 /nfs/dbraw/zinc/00/29/82/806002982.db2.gz MJVXBRMZELFEJP-SECBINFHSA-N -1 0 305.356 -0.550 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C1(COC)CCC1)OC ZINC000853208781 806003363 /nfs/dbraw/zinc/00/33/63/806003363.db2.gz XMYJOFUVYQWXPD-JTQLQIEISA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C[C@@H](C)n1cccn1)OC ZINC000853209675 806003430 /nfs/dbraw/zinc/00/34/30/806003430.db2.gz QAAIQUZRNVKTTG-GHMZBOCLSA-N -1 0 319.383 -0.058 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)Cc1cscn1)OC ZINC000853211074 806003891 /nfs/dbraw/zinc/00/38/91/806003891.db2.gz MSLYRLKSUUHSLM-SECBINFHSA-N -1 0 308.381 -0.207 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](OC)C1)OC ZINC000853211257 806004187 /nfs/dbraw/zinc/00/41/87/806004187.db2.gz RCMBMKIOURJTKO-OUAUKWLOSA-N -1 0 309.384 -0.091 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)n1 ZINC000853210563 806004418 /nfs/dbraw/zinc/00/44/18/806004418.db2.gz ZLMYRKHEVRBXGT-VIFPVBQESA-N -1 0 320.371 -0.673 20 0 DBADRM CN(CCN1CCCS1(=O)=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000853325318 806005185 /nfs/dbraw/zinc/00/51/85/806005185.db2.gz GXVZBXHGHWIUTC-LBPRGKRZSA-N -1 0 319.427 -0.041 20 0 DBADRM CN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ncccn1 ZINC001316864326 806014340 /nfs/dbraw/zinc/01/43/40/806014340.db2.gz GUMGRULIYZWLFF-UHFFFAOYSA-N -1 0 321.341 -0.882 20 0 DBADRM CCO[N-]C(=O)CNc1nc2cc(S(N)(=O)=O)ccc2[nH]1 ZINC000853714033 806016733 /nfs/dbraw/zinc/01/67/33/806016733.db2.gz WRCQWGUEBNIAQE-UHFFFAOYSA-N -1 0 313.339 -0.310 20 0 DBADRM CCCCNC(=O)CN1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000854266688 806030569 /nfs/dbraw/zinc/03/05/69/806030569.db2.gz KFSUKYHDKRRJHJ-UHFFFAOYSA-N -1 0 323.397 -0.200 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCN1C[C@H](C)OC[C@@H]1C ZINC000854216311 806030661 /nfs/dbraw/zinc/03/06/61/806030661.db2.gz YPIUOOBFDLZWCD-QWRGUYRKSA-N -1 0 302.375 -0.538 20 0 DBADRM C[C@@]1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCOC1=O ZINC000854530574 806040807 /nfs/dbraw/zinc/04/08/07/806040807.db2.gz ZYOVUHORMFSTQF-GFCCVEGCSA-N -1 0 314.319 -0.525 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854610759 806045659 /nfs/dbraw/zinc/04/56/59/806045659.db2.gz MBDUVFHWHAPGII-NSHDSACASA-N -1 0 317.305 -0.267 20 0 DBADRM O=C(CCCNC(=O)c1cccnc1)Nn1c(=O)[n-][nH]c1=O ZINC000854613390 806046589 /nfs/dbraw/zinc/04/65/89/806046589.db2.gz PWNKZMVCUWEZII-UHFFFAOYSA-N -1 0 306.282 -0.635 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)CC12COC2 ZINC000854682206 806051155 /nfs/dbraw/zinc/05/11/55/806051155.db2.gz XJWDSPAAIRLUBI-VIFPVBQESA-N -1 0 309.322 -0.223 20 0 DBADRM COCOCCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000854763810 806055869 /nfs/dbraw/zinc/05/58/69/806055869.db2.gz YFIGEWUVLZZTQS-UHFFFAOYSA-N -1 0 318.351 -0.220 20 0 DBADRM CC(C)C[C@@H](C(N)=O)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001317000150 806066104 /nfs/dbraw/zinc/06/61/04/806066104.db2.gz IZPSXLKVWXBGIK-UWVGGRQHSA-N -1 0 324.385 -0.652 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000855133057 806070264 /nfs/dbraw/zinc/07/02/64/806070264.db2.gz OXTXFOYMZPARBP-MRVPVSSYSA-N -1 0 311.342 -0.400 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1C[C@@H](O)C12CCC2 ZINC000855925427 806090625 /nfs/dbraw/zinc/09/06/25/806090625.db2.gz PWERTMKXINTZCU-VHSXEESVSA-N -1 0 303.322 -0.509 20 0 DBADRM O=C([N-]OCCN1CCCC1=O)[C@]12CCC(=O)N1CCS2 ZINC000856037425 806093873 /nfs/dbraw/zinc/09/38/73/806093873.db2.gz JKBIWZHWWUHABR-CYBMUJFWSA-N -1 0 313.379 -0.278 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)[N-]OCCN1CCCC1=O ZINC000856039367 806094482 /nfs/dbraw/zinc/09/44/82/806094482.db2.gz YCRAWOXGSOOMHU-NSHDSACASA-N -1 0 321.399 -0.770 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)[N-]OCCN1CCCC1=O ZINC000856042327 806094823 /nfs/dbraw/zinc/09/48/23/806094823.db2.gz ZWPMWEWRVBPJLM-UHFFFAOYSA-N -1 0 321.399 -0.624 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)NCC2(C(=O)[O-])CC2)cc1 ZINC000856957271 806105831 /nfs/dbraw/zinc/10/58/31/806105831.db2.gz AXOHWDLYKWFQQF-UHFFFAOYSA-N -1 0 312.347 -0.143 20 0 DBADRM O=C([O-])C1CN(C(=O)NCc2ccc(-n3cncn3)nc2)C1 ZINC000857097514 806108671 /nfs/dbraw/zinc/10/86/71/806108671.db2.gz TZFPFRFSXGUQEK-UHFFFAOYSA-N -1 0 302.294 -0.112 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000857286851 806115504 /nfs/dbraw/zinc/11/55/04/806115504.db2.gz IEKVRLUTIJMLPK-SNVBAGLBSA-N -1 0 309.326 -0.805 20 0 DBADRM Cn1nnc(Br)c1C(=O)[N-]N1CC(=O)N(C)C1=O ZINC001325914281 807117810 /nfs/dbraw/zinc/11/78/10/807117810.db2.gz RVNGMCOWRVACFJ-UHFFFAOYSA-N -1 0 317.103 -0.884 20 0 DBADRM Cc1n[nH]c(C(=O)NCCS(=O)(=O)C2CCOCC2)c1[O-] ZINC000857524782 806120564 /nfs/dbraw/zinc/12/05/64/806120564.db2.gz JXZVZEIPMGXBBM-UHFFFAOYSA-N -1 0 317.367 -0.253 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000858589100 806151418 /nfs/dbraw/zinc/15/14/18/806151418.db2.gz YLTDFDAVCUDFRO-UHFFFAOYSA-N -1 0 322.321 -0.002 20 0 DBADRM CN(CCNC(=O)c1ncnc2[nH]ccc21)Cc1n[nH]c(=O)[n-]1 ZINC001317451357 806152469 /nfs/dbraw/zinc/15/24/69/806152469.db2.gz NEKYKVKSLQXNBM-UHFFFAOYSA-N -1 0 316.325 -0.405 20 0 DBADRM CN(CCNC(=O)c1ccc2nncn2c1)Cc1n[nH]c(=O)[n-]1 ZINC001317465525 806157967 /nfs/dbraw/zinc/15/79/67/806157967.db2.gz QNVALYJROKSAOW-UHFFFAOYSA-N -1 0 316.325 -0.585 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@H](C)OC2=O)on1 ZINC000859162349 806175461 /nfs/dbraw/zinc/17/54/61/806175461.db2.gz ZTHXUHBVFBMZBA-CAHLUQPWSA-N -1 0 304.280 -0.557 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cncn2C)on1 ZINC000859163259 806176393 /nfs/dbraw/zinc/17/63/93/806176393.db2.gz FXGSFUUBHLXCGH-UHFFFAOYSA-N -1 0 300.296 -0.327 20 0 DBADRM CCn1ncc(C[N-]S(=O)(=O)c2cc(C(=O)OC)no2)n1 ZINC000859249703 806180794 /nfs/dbraw/zinc/18/07/94/806180794.db2.gz JJRRDVSCIOJTCT-UHFFFAOYSA-N -1 0 315.311 -0.449 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000859278084 806182196 /nfs/dbraw/zinc/18/21/96/806182196.db2.gz JYXGDHYNGIIMTO-GHMZBOCLSA-N -1 0 310.358 -0.350 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C(=O)N(C)OC)on1 ZINC000859416145 806192518 /nfs/dbraw/zinc/19/25/18/806192518.db2.gz ZFPRFEJPTMVDIX-ZCFIWIBFSA-N -1 0 321.311 -0.852 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000859775190 806204283 /nfs/dbraw/zinc/20/42/83/806204283.db2.gz LOWGGTNFAGGCJN-PSASIEDQSA-N -1 0 318.285 -0.045 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000859776731 806204388 /nfs/dbraw/zinc/20/43/88/806204388.db2.gz NBGHQIFGJJYIRR-ZETCQYMHSA-N -1 0 324.293 -0.757 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OC[C@H]2CNC(=O)O2)cn1 ZINC000859924231 806210740 /nfs/dbraw/zinc/21/07/40/806210740.db2.gz OOZXQWWYRVVMGF-MRVPVSSYSA-N -1 0 315.307 -0.282 20 0 DBADRM CN(CCNCc1cscn1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001317657052 806218507 /nfs/dbraw/zinc/21/85/07/806218507.db2.gz NHRPJPPPJPJBOJ-UHFFFAOYSA-N -1 0 312.355 -0.606 20 0 DBADRM O=C([N-]S(=O)(=O)c1cccnc1)c1cn2c(n1)COCC2 ZINC000860448994 806231389 /nfs/dbraw/zinc/23/13/89/806231389.db2.gz RPTZITNNABDMPZ-UHFFFAOYSA-N -1 0 308.319 -0.073 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C ZINC000860448783 806231507 /nfs/dbraw/zinc/23/15/07/806231507.db2.gz LQIROCRUZZUZHU-JTQLQIEISA-N -1 0 316.383 -0.388 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)O1 ZINC000860445413 806231675 /nfs/dbraw/zinc/23/16/75/806231675.db2.gz ZASLDXZPLHEGCZ-VHSXEESVSA-N -1 0 316.310 -0.337 20 0 DBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)c2cccs2)C1=O ZINC000860444622 806232048 /nfs/dbraw/zinc/23/20/48/806232048.db2.gz JMKQWPAFTXJACQ-UHFFFAOYSA-N -1 0 317.348 -0.553 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1cn2c(n1)COCC2 ZINC000860496667 806233186 /nfs/dbraw/zinc/23/31/86/806233186.db2.gz WWLTWORUUKOCNT-UHFFFAOYSA-N -1 0 300.340 -0.516 20 0 DBADRM CC(C)CS(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860512760 806233713 /nfs/dbraw/zinc/23/37/13/806233713.db2.gz GYKYIIIYSBBBJU-ORXSELOVSA-N -1 0 317.363 -0.191 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1nn(C)c2ccccc21 ZINC000860536980 806234907 /nfs/dbraw/zinc/23/49/07/806234907.db2.gz JHAVDYSKWWPJSF-UHFFFAOYSA-N -1 0 311.319 -0.194 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OCCc2cn[nH]n2)cn1 ZINC000860565733 806236188 /nfs/dbraw/zinc/23/61/88/806236188.db2.gz FQIKBQRCHNZZFF-UHFFFAOYSA-N -1 0 311.323 -0.029 20 0 DBADRM Cc1ccc2nc(C(=O)[N-]S(=O)(=O)N3CCOCC3)cn2c1 ZINC000860567592 806236562 /nfs/dbraw/zinc/23/65/62/806236562.db2.gz KFXGIAYXXUJQLR-UHFFFAOYSA-N -1 0 324.362 -0.050 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)COCC(F)F ZINC000860664606 806241687 /nfs/dbraw/zinc/24/16/87/806241687.db2.gz CBOJTXTWQBDLAU-RQJHMYQMSA-N -1 0 317.310 -0.088 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cnccn1)C(C)C ZINC000860601952 806237569 /nfs/dbraw/zinc/23/75/69/806237569.db2.gz WFNFHFJGWLIMTM-SNVBAGLBSA-N -1 0 300.340 -0.558 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OCCCC(N)=O)cn1 ZINC000860577844 806237823 /nfs/dbraw/zinc/23/78/23/806237823.db2.gz PXRWGWXPYZWHQL-UHFFFAOYSA-N -1 0 301.324 -0.125 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)NC(C)=O ZINC000860598944 806238288 /nfs/dbraw/zinc/23/82/88/806238288.db2.gz UQIOZULGPJYTLM-LLVKDONJSA-N -1 0 323.415 -0.524 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)O1 ZINC000860632015 806239137 /nfs/dbraw/zinc/23/91/37/806239137.db2.gz PJGJWADYAWTTME-BBBLOLIVSA-N -1 0 321.351 -0.811 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2)O1 ZINC000860610724 806239229 /nfs/dbraw/zinc/23/92/29/806239229.db2.gz ZUXJSZWWHJQNTC-JGVFFNPUSA-N -1 0 304.349 -0.414 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC000860648631 806240816 /nfs/dbraw/zinc/24/08/16/806240816.db2.gz UKEJSMKQKGCRGH-QMMMGPOBSA-N -1 0 316.310 -0.692 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)COCC(F)F ZINC000860664602 806241351 /nfs/dbraw/zinc/24/13/51/806241351.db2.gz CBOJTXTWQBDLAU-BQBZGAKWSA-N -1 0 317.310 -0.088 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)C2CC(OC)C2)c(C)nn1C ZINC000860679088 806241518 /nfs/dbraw/zinc/24/15/18/806241518.db2.gz FPTUPCLZCKAEKI-UHFFFAOYSA-N -1 0 317.367 -0.033 20 0 DBADRM O=C([N-]S(=O)(=O)C1CCC1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860708201 806243948 /nfs/dbraw/zinc/24/39/48/806243948.db2.gz ZFWRARHQGDHTDJ-ORXSELOVSA-N -1 0 315.347 -0.295 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cn(C2CC2)nn1 ZINC000860784699 806246418 /nfs/dbraw/zinc/24/64/18/806246418.db2.gz FHXMEORCCRYVNR-UHFFFAOYSA-N -1 0 310.339 -0.226 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)COCC(F)F ZINC000860779391 806246687 /nfs/dbraw/zinc/24/66/87/806246687.db2.gz ZQDARUZQWJNYLW-UHFFFAOYSA-N -1 0 317.310 -0.087 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)Cn1nccc1C ZINC000860779347 806246746 /nfs/dbraw/zinc/24/67/46/806246746.db2.gz YGCMJDQOYPFDKA-UHFFFAOYSA-N -1 0 317.367 -0.163 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)Cn1nccc1C)OC ZINC000860892554 806251296 /nfs/dbraw/zinc/25/12/96/806251296.db2.gz UOUMDUXWRYCCBS-SNVBAGLBSA-N -1 0 305.356 -0.701 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)CO1 ZINC000861136825 806257838 /nfs/dbraw/zinc/25/78/38/806257838.db2.gz HTRHDKLGLKBCJN-YIZRAAEISA-N -1 0 320.367 -0.967 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CC(C(N)=O)=NO2)CC[C@@H]1C(=O)[O-] ZINC000861455976 806268079 /nfs/dbraw/zinc/26/80/79/806268079.db2.gz JXBHFSVTOMPWLZ-HLTSFMKQSA-N -1 0 312.326 -0.631 20 0 DBADRM COC(=O)C1=CC[C@H](NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000861720730 806283103 /nfs/dbraw/zinc/28/31/03/806283103.db2.gz FUPSHUFBLDLMMO-ZUZCIYMTSA-N -1 0 324.333 -0.312 20 0 DBADRM COC(=O)C1=CC[C@H](NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000861720728 806283256 /nfs/dbraw/zinc/28/32/56/806283256.db2.gz FUPSHUFBLDLMMO-BONVTDFDSA-N -1 0 324.333 -0.312 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O ZINC001318324293 806283567 /nfs/dbraw/zinc/28/35/67/806283567.db2.gz MJJDCGKBPRRLLG-UHFFFAOYSA-N -1 0 320.371 -0.980 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000861721120 806284292 /nfs/dbraw/zinc/28/42/92/806284292.db2.gz PUGUXAUNYAEJFW-GXSJLCMTSA-N -1 0 323.353 -0.517 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C(=O)O1 ZINC000861721740 806284331 /nfs/dbraw/zinc/28/43/31/806284331.db2.gz BHVRHXJWHNQCKN-IONNQARKSA-N -1 0 313.335 -0.113 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000861720799 806284562 /nfs/dbraw/zinc/28/45/62/806284562.db2.gz HRTCIADEZMRQMK-HFAKWTLXSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@]1(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCOC1=O ZINC000861775189 806291970 /nfs/dbraw/zinc/29/19/70/806291970.db2.gz FDAAUHRTIVPZOQ-GFCCVEGCSA-N -1 0 313.335 -0.112 20 0 DBADRM O=C(c1cn2cccnc2n1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001318379078 806290502 /nfs/dbraw/zinc/29/05/02/806290502.db2.gz KEHMMENMKWANRX-VIFPVBQESA-N -1 0 300.282 -0.544 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000862130347 806312491 /nfs/dbraw/zinc/31/24/91/806312491.db2.gz FGZNHURIBGPSBN-UHFFFAOYSA-N -1 0 307.310 -0.733 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C ZINC000862130628 806312996 /nfs/dbraw/zinc/31/29/96/806312996.db2.gz NAMXKJVHZKBMPA-MRVPVSSYSA-N -1 0 305.331 -0.944 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)N3C[C@H](O)[C@@H](O)C3)cc2[n-]c1=S ZINC000862581359 806321180 /nfs/dbraw/zinc/32/11/80/806321180.db2.gz MVWQAABXCLUSAV-QWRGUYRKSA-N -1 0 321.358 -0.600 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001318691844 806322195 /nfs/dbraw/zinc/32/21/95/806322195.db2.gz VNMHAJKUIYGTQS-SECBINFHSA-N -1 0 322.325 -0.971 20 0 DBADRM Cc1nc2cc(NC(=O)C(=O)NCc3nnn[n-]3)ccc2n1C ZINC001318920666 806333238 /nfs/dbraw/zinc/33/32/38/806333238.db2.gz OWFAFYPLPOCIKM-UHFFFAOYSA-N -1 0 314.309 -0.350 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)CSc1n[n-]c(=S)s1 ZINC000863015516 806344335 /nfs/dbraw/zinc/34/43/35/806344335.db2.gz CLJJVNPEZRYKRI-RXMQYKEDSA-N -1 0 323.421 -0.041 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)c1n[n-]c2ccccc2c1=O ZINC000863017073 806345544 /nfs/dbraw/zinc/34/55/44/806345544.db2.gz ZXPVOUISWQHXMT-MRVPVSSYSA-N -1 0 305.290 -0.011 20 0 DBADRM CC(=O)C[C@H](NS(=O)(=O)c1c(Cl)cnn1C)C(=O)[O-] ZINC000863409062 806355875 /nfs/dbraw/zinc/35/58/75/806355875.db2.gz WXPMHAQUZNHIQM-ZETCQYMHSA-N -1 0 309.731 -0.216 20 0 DBADRM COc1cncc(S(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])c1 ZINC000863407370 806355890 /nfs/dbraw/zinc/35/58/90/806355890.db2.gz HDGYQZPFJBVMDW-JTQLQIEISA-N -1 0 302.308 -0.199 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])CCC1 ZINC000863408951 806356038 /nfs/dbraw/zinc/35/60/38/806356038.db2.gz VFMCFFRTOZLTKR-SECBINFHSA-N -1 0 321.351 -0.319 20 0 DBADRM CC(C)OC[C@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000863416238 806356240 /nfs/dbraw/zinc/35/62/40/806356240.db2.gz FYBWCMKCQMGYTQ-BDAKNGLRSA-N -1 0 310.372 -0.739 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-] ZINC000863416453 806356445 /nfs/dbraw/zinc/35/64/45/806356445.db2.gz HDHJKJNEOBBGNZ-BDAKNGLRSA-N -1 0 311.356 -0.407 20 0 DBADRM CCO[N-]C(=O)CN1C(=O)[C@@H]2CC[C@H](C(=O)OC)CN2C1=O ZINC000863512788 806361047 /nfs/dbraw/zinc/36/10/47/806361047.db2.gz NQZCNLQVTWFBKZ-IUCAKERBSA-N -1 0 313.310 -0.730 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000863630708 806367712 /nfs/dbraw/zinc/36/77/12/806367712.db2.gz MXTBVDHOQYLBCA-LURJTMIESA-N -1 0 313.276 -0.032 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000863703352 806369280 /nfs/dbraw/zinc/36/92/80/806369280.db2.gz FJSGMFRVUDKMBN-ZCFIWIBFSA-N -1 0 321.293 -0.426 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)C1 ZINC000863749404 806371098 /nfs/dbraw/zinc/37/10/98/806371098.db2.gz PQZIMNXWXMTBDB-MYQWFSQQSA-N -1 0 310.350 -0.319 20 0 DBADRM CC1(C)NC(=O)N(CCCC(=O)NCc2nc(=O)o[n-]2)C1=O ZINC001319443507 806379850 /nfs/dbraw/zinc/37/98/50/806379850.db2.gz LFNDSSYZBOBCBH-UHFFFAOYSA-N -1 0 311.298 -0.910 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC000864059056 806386631 /nfs/dbraw/zinc/38/66/31/806386631.db2.gz ZOTMCJSSCJAGBD-KBPBESRZSA-N -1 0 312.322 -0.175 20 0 DBADRM COC[C@](C)(NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-] ZINC000864127427 806390378 /nfs/dbraw/zinc/39/03/78/806390378.db2.gz WGOWNVHOTVWVHC-FWWHASMVSA-N -1 0 315.244 -0.061 20 0 DBADRM COCC[C@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-] ZINC000864138791 806390872 /nfs/dbraw/zinc/39/08/72/806390872.db2.gz QSYOIQJRGLYRRB-RNJXMRFFSA-N -1 0 315.244 -0.061 20 0 DBADRM Cc1ccc(C(=O)NCCOCC(=O)[O-])cc1S(N)(=O)=O ZINC000864172715 806390941 /nfs/dbraw/zinc/39/09/41/806390941.db2.gz ZRUWERUCQQZPAA-UHFFFAOYSA-N -1 0 316.335 -0.527 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1 ZINC000864167480 806391240 /nfs/dbraw/zinc/39/12/40/806391240.db2.gz HBWYEJRIGRJSIG-WDEREUQCSA-N -1 0 316.379 -0.052 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)NCCOCC(=O)[O-])c2=O ZINC000864172223 806391422 /nfs/dbraw/zinc/39/14/22/806391422.db2.gz QHSHNDGPLKXFMR-UHFFFAOYSA-N -1 0 305.290 -0.166 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000864157430 806391540 /nfs/dbraw/zinc/39/15/40/806391540.db2.gz ZQAQUFKJQNHRIH-OSMVPFSASA-N -1 0 313.228 -0.309 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H]2CSCN2C(C)=O)[C@@](C)(C(=O)[O-])C1 ZINC000864181082 806391624 /nfs/dbraw/zinc/39/16/24/806391624.db2.gz IVVIOEXMQFHRAN-OPQQBVKSSA-N -1 0 316.379 -0.002 20 0 DBADRM O=C(CN1CCCS1(=O)=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC000864209498 806391736 /nfs/dbraw/zinc/39/17/36/806391736.db2.gz IPSIQKXGXIXNAJ-PTRXPTGYSA-N -1 0 302.352 -0.609 20 0 DBADRM Cn1cc(/C=C\C(=O)NC2CC(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000864204533 806391873 /nfs/dbraw/zinc/39/18/73/806391873.db2.gz CNKAEXWHGDNWPY-ARJAWSKDSA-N -1 0 307.306 -0.923 20 0 DBADRM COc1ncnc(OC)c1C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000864214611 806391929 /nfs/dbraw/zinc/39/19/29/806391929.db2.gz LKXUTGSERCZIAS-CBAPKCEASA-N -1 0 311.294 -0.287 20 0 DBADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)c1nnnn1C1CC1 ZINC000864203351 806392422 /nfs/dbraw/zinc/39/24/22/806392422.db2.gz TZNLZMDMSXFAFC-ZCFIWIBFSA-N -1 0 305.298 -0.069 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000864193957 806392497 /nfs/dbraw/zinc/39/24/97/806392497.db2.gz RKKBJDHPZHMUNV-GXFFZTMASA-N -1 0 316.379 -0.095 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(F)nc2F)CCO1 ZINC000864492818 806395057 /nfs/dbraw/zinc/39/50/57/806395057.db2.gz QCUIJSSCRDFZLG-LURJTMIESA-N -1 0 308.262 -0.166 20 0 DBADRM CN(C)S(=O)(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC000864502140 806395322 /nfs/dbraw/zinc/39/53/22/806395322.db2.gz RJTZOZVKZKTISS-UWVGGRQHSA-N -1 0 316.383 -0.283 20 0 DBADRM COCCNC(=O)c1cn(CC[N-]C(=O)C(F)(F)F)nn1 ZINC000864624742 806397366 /nfs/dbraw/zinc/39/73/66/806397366.db2.gz JVTDOKHOPNPJBT-UHFFFAOYSA-N -1 0 309.248 -0.667 20 0 DBADRM O=C(CCCNC(=O)C1CC1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC001319675882 806402521 /nfs/dbraw/zinc/40/25/21/806402521.db2.gz QQPAXCPHYOUOAV-JTQLQIEISA-N -1 0 318.395 -0.225 20 0 DBADRM COc1ccc(C=O)c(OCC(=O)NCc2nc(=O)o[n-]2)c1 ZINC001319730308 806405158 /nfs/dbraw/zinc/40/51/58/806405158.db2.gz IEJCVILPUTVWMO-UHFFFAOYSA-N -1 0 307.262 -0.121 20 0 DBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1nc(=O)o[n-]1 ZINC001319962178 806423449 /nfs/dbraw/zinc/42/34/49/806423449.db2.gz FTAMGDXKRHAIGI-UHFFFAOYSA-N -1 0 323.309 -0.766 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=N[C@H](C)C(=O)N(C)OC)cc1 ZINC000865975676 806430655 /nfs/dbraw/zinc/43/06/55/806430655.db2.gz MWAFOTQLANRMER-SNVBAGLBSA-N -1 0 320.353 -0.028 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC001320032321 806432047 /nfs/dbraw/zinc/43/20/47/806432047.db2.gz WFTNVLDWKKONGR-VHSXEESVSA-N -1 0 311.319 -0.776 20 0 DBADRM Cn1cc(-n2cc(C(=O)NCc3nnn[n-]3)ccc2=O)cn1 ZINC001320170563 806446037 /nfs/dbraw/zinc/44/60/37/806446037.db2.gz LRZFYDNJXXZGGI-UHFFFAOYSA-N -1 0 300.282 -0.986 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)[N-]CC(F)(F)CN)CCC1 ZINC000866755027 806456479 /nfs/dbraw/zinc/45/64/79/806456479.db2.gz FIQUPWQMERFXOL-UHFFFAOYSA-N -1 0 300.327 -0.014 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CC(=O)N(C(C)C)C1 ZINC000866701222 806450715 /nfs/dbraw/zinc/45/07/15/806450715.db2.gz OANBZTAQZDTBGH-YYSFKGJASA-N -1 0 311.429 -0.052 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@H]1CN(c2ccccc2)C1=O ZINC000867082059 806470754 /nfs/dbraw/zinc/47/07/54/806470754.db2.gz GYNSRJSOBRRBMF-JTQLQIEISA-N -1 0 317.392 -0.036 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)N=S(C)(C)=O ZINC000867106174 806471845 /nfs/dbraw/zinc/47/18/45/806471845.db2.gz XGNIVBKKXJBUQD-DTWKUNHWSA-N -1 0 300.402 -0.258 20 0 DBADRM C[C@@H](CN(C)C(=O)CCC[C@]1(C)NC(=O)NC1=O)c1nnn[n-]1 ZINC001320397236 806485983 /nfs/dbraw/zinc/48/59/83/806485983.db2.gz CPMDPGLHAWFNMN-SDBXPKJASA-N -1 0 323.357 -0.470 20 0 DBADRM CC1N=NC(=S)N1CCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001320450865 806491196 /nfs/dbraw/zinc/49/11/96/806491196.db2.gz VTAGXOVHYWTNGM-UHFFFAOYSA-N -1 0 315.384 -0.393 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H]1COCCN1C ZINC000867563125 806508421 /nfs/dbraw/zinc/50/84/21/806508421.db2.gz WKAGIICWRPHRDW-SNVBAGLBSA-N -1 0 313.445 -0.341 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(C2CCC2)C1=O ZINC000867569878 806508900 /nfs/dbraw/zinc/50/89/00/806508900.db2.gz ZAKHFSXWMIXJRD-SECBINFHSA-N -1 0 309.413 -0.298 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)[N-]OCC(N)=O)ccc1F ZINC001320618692 806510729 /nfs/dbraw/zinc/51/07/29/806510729.db2.gz LKFNGCZSHGSAKE-UHFFFAOYSA-N -1 0 313.241 -0.916 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)NCCc1n[n-]c(=S)o1 ZINC001320652952 806513355 /nfs/dbraw/zinc/51/33/55/806513355.db2.gz OYJVBOGXYAHVBK-UHFFFAOYSA-N -1 0 310.335 -0.107 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1cccn(CC(=O)OCC)c1=O ZINC001320922926 806542574 /nfs/dbraw/zinc/54/25/74/806542574.db2.gz IJBRBCGXOALSBX-UHFFFAOYSA-N -1 0 311.294 -0.582 20 0 DBADRM CO[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000868350596 806544606 /nfs/dbraw/zinc/54/46/06/806544606.db2.gz YVCTZJMNBWDJOA-GMTAPVOTSA-N -1 0 314.338 -0.676 20 0 DBADRM CCN(C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC000868334233 806543997 /nfs/dbraw/zinc/54/39/97/806543997.db2.gz JYQBPQARWMEUKK-QWRGUYRKSA-N -1 0 322.365 -0.085 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCN(C)c2ncccc2C1 ZINC000868351515 806544069 /nfs/dbraw/zinc/54/40/69/806544069.db2.gz XFXLAJGUYNIFGZ-UHFFFAOYSA-N -1 0 320.349 -0.207 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](F)(CO)C2)C1 ZINC000868339808 806544287 /nfs/dbraw/zinc/54/42/87/806544287.db2.gz KYEVZEKQVMHFOB-NOZJJQNGSA-N -1 0 302.302 -0.758 20 0 DBADRM Cc1cc(CC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)no1 ZINC001321002564 806554085 /nfs/dbraw/zinc/55/40/85/806554085.db2.gz ZVCSYWTWPAHOIT-IHWYPQMZSA-N -1 0 306.326 -0.189 20 0 DBADRM CCOC(COCCNC(=O)c1n[nH]c(=O)[n-]c1=O)OCC ZINC001321007846 806555055 /nfs/dbraw/zinc/55/50/55/806555055.db2.gz OKXMCLYBJBPUFK-UHFFFAOYSA-N -1 0 316.314 -0.572 20 0 DBADRM CCO[C@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)[C@@H]1CCOC1 ZINC000868441564 806555783 /nfs/dbraw/zinc/55/57/83/806555783.db2.gz WOHMCTCPFOFMLH-MCYUEQNJSA-N -1 0 313.350 -0.012 20 0 DBADRM CC[C@]1(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001321095788 806570248 /nfs/dbraw/zinc/57/02/48/806570248.db2.gz DXFRKHZFUWWDTM-RDFMZFSFSA-N -1 0 322.369 -0.811 20 0 DBADRM Cc1ncn(C)c1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001321109922 806573357 /nfs/dbraw/zinc/57/33/57/806573357.db2.gz YELLJJBQTVNNDS-ARJAWSKDSA-N -1 0 305.342 -0.372 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC001321131625 806577596 /nfs/dbraw/zinc/57/75/96/806577596.db2.gz TUXZPHAWVLQVTM-UHFFFAOYSA-N -1 0 307.306 -0.395 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)no1 ZINC001321135354 806578407 /nfs/dbraw/zinc/57/84/07/806578407.db2.gz OXUIJACOLNMQMX-WPRPVWTQSA-N -1 0 311.294 -0.082 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCCc1nnnn1C ZINC000869504007 806582948 /nfs/dbraw/zinc/58/29/48/806582948.db2.gz XKSAXZXDSLVWHU-QMMMGPOBSA-N -1 0 323.275 -0.001 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)N[C@@H]3COC[C@@H]3O)cc2[n-]c1=S ZINC000869934889 806587370 /nfs/dbraw/zinc/58/73/70/806587370.db2.gz RXIUFHRIHCSIBE-MNOVXSKESA-N -1 0 321.358 -0.288 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2C(C)=O)CC1 ZINC000870375666 806601359 /nfs/dbraw/zinc/60/13/59/806601359.db2.gz NLXNWLJNCUOMLT-SNVBAGLBSA-N -1 0 304.368 -0.378 20 0 DBADRM COCCn1ncc(C(=O)[N-]S(=O)(=O)CCOC)c1C ZINC000870200362 806597291 /nfs/dbraw/zinc/59/72/91/806597291.db2.gz VORDVCFWTGKINK-UHFFFAOYSA-N -1 0 305.356 -0.456 20 0 DBADRM CCO[C@H]1COCC[C@H]1CC(=O)[N-]S(=O)(=O)CCOC ZINC000870198670 806597546 /nfs/dbraw/zinc/59/75/46/806597546.db2.gz FFWHZWYKKDVLSS-QWRGUYRKSA-N -1 0 309.384 -0.090 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cn1 ZINC000870204747 806597573 /nfs/dbraw/zinc/59/75/73/806597573.db2.gz ZLCOTOBSZAPWBJ-JTQLQIEISA-N -1 0 303.340 -0.622 20 0 DBADRM COc1cncc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1C ZINC000870214506 806597635 /nfs/dbraw/zinc/59/76/35/806597635.db2.gz OJAOHANMCBAKMM-UHFFFAOYSA-N -1 0 315.351 -0.295 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)CCOCCOC)c1C ZINC000870242497 806598180 /nfs/dbraw/zinc/59/81/80/806598180.db2.gz DGGAWSGUPYHIPS-UHFFFAOYSA-N -1 0 319.383 -0.066 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000870276151 806598631 /nfs/dbraw/zinc/59/86/31/806598631.db2.gz SNRWQLWMVDYSOM-QWRGUYRKSA-N -1 0 304.368 -0.378 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)[N-]S(=O)(=O)CCCF)C[C@H]1C ZINC000870221551 806598822 /nfs/dbraw/zinc/59/88/22/806598822.db2.gz KORDNFJMELTIKE-IWSPIJDZSA-N -1 0 311.331 -0.241 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)C[C@H](C)OC)[C@@H]1CCOC1 ZINC000870320677 806599447 /nfs/dbraw/zinc/59/94/47/806599447.db2.gz RQCFAIXPXLJKNW-AXFHLTTASA-N -1 0 309.384 -0.091 20 0 DBADRM COC/C=C\C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000870390091 806600982 /nfs/dbraw/zinc/60/09/82/806600982.db2.gz YHRXRCLHRMARSC-RQOWECAXSA-N -1 0 301.324 -0.327 20 0 DBADRM CCOC(C)(C)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000870383302 806601332 /nfs/dbraw/zinc/60/13/32/806601332.db2.gz QCYXZYXGGDJDKS-UHFFFAOYSA-N -1 0 321.399 -0.673 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(CCc2cnccn2)CC1 ZINC000871219760 806622205 /nfs/dbraw/zinc/62/22/05/806622205.db2.gz IHGNZVIOLZZJRW-UHFFFAOYSA-N -1 0 302.338 -0.961 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC001321415858 806624006 /nfs/dbraw/zinc/62/40/06/806624006.db2.gz KBURJQATANAZFY-UHFFFAOYSA-N -1 0 306.282 -0.705 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)NCCc1n[n-]c(=S)o1 ZINC001321448965 806626810 /nfs/dbraw/zinc/62/68/10/806626810.db2.gz WYHBKJKZLDMJOK-UHFFFAOYSA-N -1 0 314.367 -0.344 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001321436381 806626020 /nfs/dbraw/zinc/62/60/20/806626020.db2.gz HUQHDEWGVFUIAD-MRVPVSSYSA-N -1 0 324.366 -0.645 20 0 DBADRM CNS(=O)(=O)C1CCN(c2cc(C(=O)[O-])ncn2)CC1 ZINC000871595325 806639806 /nfs/dbraw/zinc/63/98/06/806639806.db2.gz VIYJAFGXALUVGY-UHFFFAOYSA-N -1 0 300.340 -0.307 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC[C@@](OC)(C(=O)[O-])C1 ZINC000871772400 806642788 /nfs/dbraw/zinc/64/27/88/806642788.db2.gz SDZSCNMTOXOWSC-NSHDSACASA-N -1 0 310.372 -0.625 20 0 DBADRM CCOC(=O)c1[n-]n([C@@H]2CCCS(=O)(=O)C2)c(=O)c1C ZINC000871962513 806644827 /nfs/dbraw/zinc/64/48/27/806644827.db2.gz DBSLCFAHIOPKGQ-RKDXNWHRSA-N -1 0 302.352 -0.039 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC001321690361 806658362 /nfs/dbraw/zinc/65/83/62/806658362.db2.gz WMSPRMSRHQHYIU-UHFFFAOYSA-N -1 0 313.335 -0.375 20 0 DBADRM C[C@@H](CN(C)C(=O)c1ccnc2c1nnn2C)c1nnn[n-]1 ZINC001321738948 806664311 /nfs/dbraw/zinc/66/43/11/806664311.db2.gz JMQCOLVAZCKVQX-ZETCQYMHSA-N -1 0 301.314 -0.248 20 0 DBADRM Cc1ccn2ncc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)c2n1 ZINC001321801088 806671721 /nfs/dbraw/zinc/67/17/21/806671721.db2.gz MYTBJVPLUPDDAX-UHFFFAOYSA-N -1 0 321.322 -0.188 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)C(C)(C)SCC(=O)[O-])CCO1 ZINC000872935600 806679450 /nfs/dbraw/zinc/67/94/50/806679450.db2.gz UKTLYSZZIFYPTC-JTQLQIEISA-N -1 0 318.395 -0.054 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCCN1CCCC1=O ZINC001321859893 806680747 /nfs/dbraw/zinc/68/07/47/806680747.db2.gz ASDDQWJSURCPJN-NSHDSACASA-N -1 0 313.354 -0.801 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C(C)C ZINC000873504225 806686254 /nfs/dbraw/zinc/68/62/54/806686254.db2.gz WNTIAVZDVVKATJ-JTQLQIEISA-N -1 0 306.384 -0.132 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000873507539 806686321 /nfs/dbraw/zinc/68/63/21/806686321.db2.gz RACDJAOLUMVKEB-JTQLQIEISA-N -1 0 319.383 -0.921 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001321953840 806692093 /nfs/dbraw/zinc/69/20/93/806692093.db2.gz XBCGONQDCVDNCK-ZETCQYMHSA-N -1 0 309.248 -0.217 20 0 DBADRM CC[C@@H]1COCCN1CCNC(=O)c1c[n-]n2c1nccc2=O ZINC000874707629 806713527 /nfs/dbraw/zinc/71/35/27/806713527.db2.gz DEKHOAXHJUFQEU-LLVKDONJSA-N -1 0 319.365 -0.137 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1nnc(-c2ccccc2)[nH]1 ZINC001322228915 806724375 /nfs/dbraw/zinc/72/43/75/806724375.db2.gz PFAAJEMIWGXARH-UHFFFAOYSA-N -1 0 319.321 -0.218 20 0 DBADRM COc1cc(C=O)ccc1OCC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000874966540 806724817 /nfs/dbraw/zinc/72/48/17/806724817.db2.gz VKGUSYLIVLKANX-CQSZACIVSA-N -1 0 311.290 -0.162 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001322485733 806744947 /nfs/dbraw/zinc/74/49/47/806744947.db2.gz QSGDDBBZCICQKV-JTQLQIEISA-N -1 0 315.370 -0.508 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H](C)COCC(F)(F)F ZINC001322548469 806752070 /nfs/dbraw/zinc/75/20/70/806752070.db2.gz XIIAWQOVYUUDMT-ZETCQYMHSA-N -1 0 302.249 -0.236 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCc1c(C)c(C)n[nH]c1=O ZINC001322868593 806792373 /nfs/dbraw/zinc/79/23/73/806792373.db2.gz OAFKYQJZJFXWJN-UHFFFAOYSA-N -1 0 314.367 -0.174 20 0 DBADRM CC1(C)OCC(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)CO1 ZINC001322909092 806797942 /nfs/dbraw/zinc/79/79/42/806797942.db2.gz SCUOWQYABCBCNF-VIFPVBQESA-N -1 0 302.327 -0.662 20 0 DBADRM O=C(CNC(=O)C(=O)[N-]OCc1ccccc1)N1CCOCC1 ZINC001322913023 806797978 /nfs/dbraw/zinc/79/79/78/806797978.db2.gz ZSIRQQOXSGBIPE-UHFFFAOYSA-N -1 0 321.333 -0.791 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCOCC(F)(F)F ZINC001323016182 806812076 /nfs/dbraw/zinc/81/20/76/806812076.db2.gz VZXQSUSZHOVNNO-QMMMGPOBSA-N -1 0 314.260 -0.234 20 0 DBADRM CC(C)(C)OC(=O)NCCOCC(=O)NCc1nc(=O)o[n-]1 ZINC001323190154 806833414 /nfs/dbraw/zinc/83/34/14/806833414.db2.gz CHAHAHCSULTWJT-UHFFFAOYSA-N -1 0 316.314 -0.480 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)C(=O)[N-]OC2CCOCC2)O1 ZINC001323238718 806840956 /nfs/dbraw/zinc/84/09/56/806840956.db2.gz QZFHMDBAUUNVCK-SNVBAGLBSA-N -1 0 302.327 -0.519 20 0 DBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)[N-]OC2CCOCC2)c1C ZINC001323309051 806853895 /nfs/dbraw/zinc/85/38/95/806853895.db2.gz ICIXDQDHVMITFG-UHFFFAOYSA-N -1 0 324.337 -0.358 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC001323373566 806864826 /nfs/dbraw/zinc/86/48/26/806864826.db2.gz MODOABNZDNYWMB-UHFFFAOYSA-N -1 0 313.285 -0.053 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)C(=O)[N-]OC2CCOCC2)C1=O ZINC001323454223 806876394 /nfs/dbraw/zinc/87/63/94/806876394.db2.gz XXRPFSDCVCWZNH-LLVKDONJSA-N -1 0 313.354 -0.661 20 0 DBADRM Cc1csc2ncc(C(=O)NCc3nc(=O)o[n-]3)c(=O)n12 ZINC001323486552 806879637 /nfs/dbraw/zinc/87/96/37/806879637.db2.gz ARZRXMOUVURXHF-UHFFFAOYSA-N -1 0 307.291 -0.329 20 0 DBADRM O=C(CC(=O)N1CCO[C@H](c2nnn[n-]2)C1)NCC(F)(F)F ZINC001323578084 806890076 /nfs/dbraw/zinc/89/00/76/806890076.db2.gz QYYMGKUGDYQWIW-LURJTMIESA-N -1 0 322.247 -0.832 20 0 DBADRM COCCn1[n-]c(C)c(C(=O)NC2CCN(C(C)=O)CC2)c1=O ZINC001323578083 806890509 /nfs/dbraw/zinc/89/05/09/806890509.db2.gz QUCJXFPTPDXCJR-ZDUSSCGKSA-N -1 0 324.381 -0.406 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(CCNS(C)(=O)=O)C1 ZINC000879766385 806901616 /nfs/dbraw/zinc/90/16/16/806901616.db2.gz XLJIEUJSHUOUQQ-VIFPVBQESA-N -1 0 317.333 -0.322 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC001323705323 806906117 /nfs/dbraw/zinc/90/61/17/806906117.db2.gz YFWDTRHQWLOVIJ-IJLUTSLNSA-N -1 0 300.355 -0.262 20 0 DBADRM CC(C)C(=O)NCCCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001323730243 806908579 /nfs/dbraw/zinc/90/85/79/806908579.db2.gz JNWCIJXWUFDNTC-LLVKDONJSA-N -1 0 315.370 -0.651 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001323761714 806911897 /nfs/dbraw/zinc/91/18/97/806911897.db2.gz IAHUHKMDWAFESO-QWRGUYRKSA-N -1 0 315.370 -0.558 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC001323808633 806918096 /nfs/dbraw/zinc/91/80/96/806918096.db2.gz XEYHFRQTGUDLRU-UHFFFAOYSA-N -1 0 324.424 -0.662 20 0 DBADRM C[C@@H](CN(C)C(=O)CCCN1C(=O)CN(C)C1=O)c1nnn[n-]1 ZINC001323858469 806923304 /nfs/dbraw/zinc/92/33/04/806923304.db2.gz BMBWRLMCIZGLGU-VIFPVBQESA-N -1 0 323.357 -0.564 20 0 DBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001323998723 806936096 /nfs/dbraw/zinc/93/60/96/806936096.db2.gz CDUIXNCZPOJZJC-QWRGUYRKSA-N -1 0 316.354 -0.225 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001323998717 806936110 /nfs/dbraw/zinc/93/61/10/806936110.db2.gz CDUIXNCZPOJZJC-GHMZBOCLSA-N -1 0 316.354 -0.225 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1cn2cc(C)ccc2n1 ZINC001324150242 806947752 /nfs/dbraw/zinc/94/77/52/806947752.db2.gz FYKNDVCDWQNFAY-UHFFFAOYSA-N -1 0 306.322 -0.047 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC001324382566 806969086 /nfs/dbraw/zinc/96/90/86/806969086.db2.gz JAZIOFIWAMDTGA-NSHDSACASA-N -1 0 323.305 -0.674 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC001324382814 806969361 /nfs/dbraw/zinc/96/93/61/806969361.db2.gz NJFJGPIMQGEWDX-UHFFFAOYSA-N -1 0 304.100 -0.236 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(-c2csnn2)cc1 ZINC001324383095 806969731 /nfs/dbraw/zinc/96/97/31/806969731.db2.gz PVBOQDXYYMNQAT-UHFFFAOYSA-N -1 0 321.318 -0.323 20 0 DBADRM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)C1(C(=O)OC)CCC1 ZINC000882319271 806976749 /nfs/dbraw/zinc/97/67/49/806976749.db2.gz HAPFWISSZPFVBF-MRVPVSSYSA-N -1 0 311.331 -0.097 20 0 DBADRM CC(C)(C)OC(=O)CCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001324733062 807002825 /nfs/dbraw/zinc/00/28/25/807002825.db2.gz HRWPFDYXHYPWFG-SNVBAGLBSA-N -1 0 316.354 -0.081 20 0 DBADRM COc1ccc(CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000020181867 803751860 /nfs/dbraw/zinc/75/18/60/803751860.db2.gz PGNCVWBTHOAEDO-UHFFFAOYSA-N -1 0 306.318 -0.007 20 0 DBADRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(N)=O ZINC000035794357 803758806 /nfs/dbraw/zinc/75/88/06/803758806.db2.gz DUEQZMNDAWAPFE-LURJTMIESA-N -1 0 304.299 -0.016 20 0 DBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)NCC(=O)N(C)C ZINC000037208282 803761040 /nfs/dbraw/zinc/76/10/40/803761040.db2.gz VVRVJYRFIYXVTR-UHFFFAOYSA-N -1 0 316.335 -0.235 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000037225710 803761175 /nfs/dbraw/zinc/76/11/75/803761175.db2.gz DMFQQKKDLRTSGF-SECBINFHSA-N -1 0 303.292 -0.803 20 0 DBADRM CCN(CC(=O)OC)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000042527933 803765089 /nfs/dbraw/zinc/76/50/89/803765089.db2.gz UTLGHCIKEAJGSC-UHFFFAOYSA-N -1 0 305.312 -0.849 20 0 DBADRM CN(CC(=O)[O-])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000042477676 803765438 /nfs/dbraw/zinc/76/54/38/803765438.db2.gz FOHGBEBSMLSEQM-UHFFFAOYSA-N -1 0 315.351 -0.398 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(CCC1CC1)CC2 ZINC001278197625 803767205 /nfs/dbraw/zinc/76/72/05/803767205.db2.gz YJVAOWGDQZVHIB-UHFFFAOYSA-N -1 0 316.369 -0.234 20 0 DBADRM CSCCCN1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001278199438 803767288 /nfs/dbraw/zinc/76/72/88/803767288.db2.gz VPAMMQIEGBIDLG-UHFFFAOYSA-N -1 0 322.398 -0.324 20 0 DBADRM CCCCCC[N@H+]1C[C@@H]2C(C(=O)N=c3nn[n-]n3C)=NO[C@@H]2C1 ZINC001278236083 803768761 /nfs/dbraw/zinc/76/87/61/803768761.db2.gz XFBZCBPFHSCEOM-WDEREUQCSA-N -1 0 321.385 -0.163 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000044614397 803769383 /nfs/dbraw/zinc/76/93/83/803769383.db2.gz NHWIAIBWISJFAG-VHSXEESVSA-N -1 0 306.384 -0.020 20 0 DBADRM CCc1ncc(C(=O)[N-]NC(=O)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000049157581 803776781 /nfs/dbraw/zinc/77/67/81/803776781.db2.gz MWPLYYMQESGAFW-SSDOTTSWSA-N -1 0 317.392 -0.099 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@@H]1CC12CC2 ZINC001035520530 814965905 /nfs/dbraw/zinc/96/59/05/814965905.db2.gz CZDYCRFJIIILFQ-ZJUUUORDSA-N -1 0 307.354 -0.373 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC(CO)CO)ccc1Cl ZINC000087750817 803799574 /nfs/dbraw/zinc/79/95/74/803799574.db2.gz KIWBQRHBPNKKKB-UHFFFAOYSA-N -1 0 309.727 -0.330 20 0 DBADRM O=C([O-])CCc1ccc(S(=O)(=O)NC[C@@H](O)CO)cc1 ZINC000090283421 803800575 /nfs/dbraw/zinc/80/05/75/803800575.db2.gz XIBDJAHEYJNWBQ-SNVBAGLBSA-N -1 0 303.336 -0.665 20 0 DBADRM Cc1nnnn1[C@H](Cc1ccccc1)C(=O)[N-]S(C)(=O)=O ZINC000118598714 803807976 /nfs/dbraw/zinc/80/79/76/803807976.db2.gz RLKHZSIJTMLQBU-LLVKDONJSA-N -1 0 309.351 -0.159 20 0 DBADRM Cn1nccc1CCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000127618936 803813091 /nfs/dbraw/zinc/81/30/91/803813091.db2.gz BRPMYZNOJVKACF-NSHDSACASA-N -1 0 301.368 -0.022 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000252600512 803832007 /nfs/dbraw/zinc/83/20/07/803832007.db2.gz LQXQABXKJKBTKY-VWYCJHECSA-N -1 0 318.395 -0.020 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1COC[C@H]1O ZINC000323085987 803840695 /nfs/dbraw/zinc/84/06/95/803840695.db2.gz QYYSLCNMAGEJCO-NXEZZACHSA-N -1 0 301.320 -0.269 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)C(N)=O ZINC000379289983 803852359 /nfs/dbraw/zinc/85/23/59/803852359.db2.gz JEGDFISEHMSPAA-MRVPVSSYSA-N -1 0 302.308 -0.367 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC/C=C/C(=O)[O-] ZINC000380180234 803852602 /nfs/dbraw/zinc/85/26/02/803852602.db2.gz DYARZINVGVITDG-BSPAPZMXSA-N -1 0 306.340 -0.511 20 0 DBADRM COC[C@@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000382578511 803854318 /nfs/dbraw/zinc/85/43/18/803854318.db2.gz WQHQKABODCMLHC-NSHDSACASA-N -1 0 306.340 -0.601 20 0 DBADRM COC[C@@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000382551483 803855212 /nfs/dbraw/zinc/85/52/12/803855212.db2.gz GEEAHPCQXSHDAM-NSHDSACASA-N -1 0 307.324 -0.038 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)C1 ZINC000386472597 803855735 /nfs/dbraw/zinc/85/57/35/803855735.db2.gz PEDHAJQHIWCWQA-CKYFFXLPSA-N -1 0 306.384 -0.270 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000386463647 803855772 /nfs/dbraw/zinc/85/57/72/803855772.db2.gz NRNLQCLUWDICOH-NSHDSACASA-N -1 0 303.340 -0.753 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000386550592 803855823 /nfs/dbraw/zinc/85/58/23/803855823.db2.gz LWAZYJZNJAXOFA-BMIGLBTASA-N -1 0 310.350 -0.175 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)C1 ZINC000386472599 803856007 /nfs/dbraw/zinc/85/60/07/803856007.db2.gz PEDHAJQHIWCWQA-FOGDFJRCSA-N -1 0 306.384 -0.270 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCn3cnnc3C2)ccc1O ZINC000386339719 803856170 /nfs/dbraw/zinc/85/61/70/803856170.db2.gz YTQQSYVHAJUQLK-UHFFFAOYSA-N -1 0 324.318 -0.114 20 0 DBADRM C[C@@H](O)[C@@H](CO)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000387469903 803857020 /nfs/dbraw/zinc/85/70/20/803857020.db2.gz SFSWMKKQAOYZQL-LHLIQPBNSA-N -1 0 307.299 -0.456 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NC[C@H]2COCCO2)C1 ZINC000387370605 803857165 /nfs/dbraw/zinc/85/71/65/803857165.db2.gz YXOOJBHTNZLLHI-GWCFXTLKSA-N -1 0 302.327 -0.466 20 0 DBADRM CN1CC(CNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000390799164 803859111 /nfs/dbraw/zinc/85/91/11/803859111.db2.gz WFEAXKCIWSKGKZ-UHFFFAOYSA-N -1 0 314.363 -0.010 20 0 DBADRM CN1CC(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000393594695 803859529 /nfs/dbraw/zinc/85/95/29/803859529.db2.gz WTJDTINYVUPAEC-UHFFFAOYSA-N -1 0 300.336 -0.258 20 0 DBADRM Cn1nncc1CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000394955388 803860715 /nfs/dbraw/zinc/86/07/15/803860715.db2.gz MWSKFCXSSSSDSC-UHFFFAOYSA-N -1 0 310.335 -0.079 20 0 DBADRM O=C([O-])C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000396629269 803860761 /nfs/dbraw/zinc/86/07/61/803860761.db2.gz FZLYZAFJJYVSJB-UHFFFAOYSA-N -1 0 323.330 -0.636 20 0 DBADRM CC(C)(C)OCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000396722222 803862195 /nfs/dbraw/zinc/86/21/95/803862195.db2.gz JSGVFWIXWBVJFA-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cn2cnc3ccccc32)CC1 ZINC000396745195 803862429 /nfs/dbraw/zinc/86/24/29/803862429.db2.gz MAWHDQZTJSGGHK-UHFFFAOYSA-N -1 0 316.317 -0.208 20 0 DBADRM C[C@@H]1C[C@H](CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCO1 ZINC000396712513 803862484 /nfs/dbraw/zinc/86/24/84/803862484.db2.gz INPXGSCYOHTELP-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CS1 ZINC000397881434 803863104 /nfs/dbraw/zinc/86/31/04/803863104.db2.gz KQNHSAKYDPSWSX-IUCAKERBSA-N -1 0 301.368 -0.181 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000399148862 803864004 /nfs/dbraw/zinc/86/40/04/803864004.db2.gz DOXWEWKQJLTHSQ-MRVPVSSYSA-N -1 0 307.393 -0.160 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCOC[C@H](O)C2)ccc1F ZINC000399967413 803864350 /nfs/dbraw/zinc/86/43/50/803864350.db2.gz VWWOMMCQNHISRU-MRVPVSSYSA-N -1 0 319.310 -0.094 20 0 DBADRM CC[C@@H](C)C[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000400409889 803865347 /nfs/dbraw/zinc/86/53/47/803865347.db2.gz VVRXSWVHFLSAGP-BDAKNGLRSA-N -1 0 315.413 -0.160 20 0 DBADRM CN1CC[C@H](NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1=O ZINC000625750117 803889479 /nfs/dbraw/zinc/88/94/79/803889479.db2.gz UXBAFSOFKXTIIW-VIFPVBQESA-N -1 0 312.351 -0.586 20 0 DBADRM COc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1Cl ZINC000650386760 803897900 /nfs/dbraw/zinc/89/79/00/803897900.db2.gz JVJOAZWDHCSLDG-XRGYYRRGSA-N -1 0 324.742 -0.144 20 0 DBADRM COc1ccc(F)cc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000650388630 803898297 /nfs/dbraw/zinc/89/82/97/803898297.db2.gz XAERYVKSNHRZGR-SSDOTTSWSA-N -1 0 320.298 -0.559 20 0 DBADRM Cc1ncsc1[C@@H](NS(=O)(=O)c1cnnn1C)C(=O)[O-] ZINC000650418464 803898355 /nfs/dbraw/zinc/89/83/55/803898355.db2.gz OJCKMUFJOHWVER-SSDOTTSWSA-N -1 0 317.352 -0.316 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000650418670 803898830 /nfs/dbraw/zinc/89/88/30/803898830.db2.gz PTTTXRNNXMDWDI-MRBYEJRBSA-N -1 0 319.379 -0.083 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N[C@H](Cc2ncccn2)C(=O)[O-])C1 ZINC000650428557 803898848 /nfs/dbraw/zinc/89/88/48/803898848.db2.gz OBHLGGGXEWSOHI-NXEZZACHSA-N -1 0 314.367 -0.352 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)[C@H]1C(=O)[O-] ZINC000650424152 803898916 /nfs/dbraw/zinc/89/89/16/803898916.db2.gz RDHPBINOYRHSCS-RGOKHQFPSA-N -1 0 322.383 -0.645 20 0 DBADRM O=C([O-])[C@H](Cc1ncccn1)NS(=O)(=O)N1CCCC1 ZINC000650429363 803899537 /nfs/dbraw/zinc/89/95/37/803899537.db2.gz KKMDLGMGIWNHKX-VIFPVBQESA-N -1 0 300.340 -0.598 20 0 DBADRM CCS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694211981 803909315 /nfs/dbraw/zinc/90/93/15/803909315.db2.gz OTASRQJUTSBJME-UHFFFAOYSA-N -1 0 311.337 -0.309 20 0 DBADRM Cn1ncc(Cl)c1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000696454314 803910920 /nfs/dbraw/zinc/91/09/20/803910920.db2.gz JPDUEDJERUPAQG-UHFFFAOYSA-N -1 0 300.702 -0.558 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000702559082 803914199 /nfs/dbraw/zinc/91/41/99/803914199.db2.gz LIUONJHIIYLCCA-VHSXEESVSA-N -1 0 302.352 -0.300 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCc2ncccn2)CC1 ZINC000702369563 803914978 /nfs/dbraw/zinc/91/49/78/803914978.db2.gz ZONVHQPOFBNDEC-UHFFFAOYSA-N -1 0 300.340 -0.392 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(c2cc(C(=O)[O-])ncn2)C1 ZINC000702947826 803916230 /nfs/dbraw/zinc/91/62/30/803916230.db2.gz FFNXATGUYUDVOB-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC000702986602 803916275 /nfs/dbraw/zinc/91/62/75/803916275.db2.gz ALXDFQVLUYXTJO-SECBINFHSA-N -1 0 300.340 -0.307 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)cc1 ZINC000706773837 803916517 /nfs/dbraw/zinc/91/65/17/803916517.db2.gz VZLOGSKUFONCQK-GHMZBOCLSA-N -1 0 301.320 -0.187 20 0 DBADRM CN(C)C(=O)NCCNC(=O)C1(C(=O)[O-])CCSCC1 ZINC000707425408 803917127 /nfs/dbraw/zinc/91/71/27/803917127.db2.gz CMKDWQHDPDQBEO-UHFFFAOYSA-N -1 0 303.384 -0.028 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000715881874 803923454 /nfs/dbraw/zinc/92/34/54/803923454.db2.gz NQNXLRIAEVIIJB-CMPLNLGQSA-N -1 0 306.384 -0.006 20 0 DBADRM Cn1ncc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1C(F)F ZINC000738418714 803936674 /nfs/dbraw/zinc/93/66/74/803936674.db2.gz KYSPFAVHQDYPFL-UHFFFAOYSA-N -1 0 316.264 -0.273 20 0 DBADRM C[C@@H](CC(=O)NC1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000738895599 803938594 /nfs/dbraw/zinc/93/85/94/803938594.db2.gz NTCFAKGWGLTFJY-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@@H]1CN(C(=S)NCC(=O)N(C)C)CC[C@H]1NC(=O)[O-] ZINC000739171047 803939602 /nfs/dbraw/zinc/93/96/02/803939602.db2.gz GIJVRKSWAIKSBL-RKDXNWHRSA-N -1 0 302.400 -0.073 20 0 DBADRM Cn1cc(NC(=O)CN2CCCS2(=O)=O)cc1C(=O)[O-] ZINC000739036854 803940401 /nfs/dbraw/zinc/94/04/01/803940401.db2.gz OLEQLOVXACVVPK-UHFFFAOYSA-N -1 0 301.324 -0.303 20 0 DBADRM CCN(CCNC(=O)Cn1cnc2c1ncnc2N)C(=O)[O-] ZINC000739424295 803941052 /nfs/dbraw/zinc/94/10/52/803941052.db2.gz FIPYBPOTPVNYBN-UHFFFAOYSA-N -1 0 307.314 -0.475 20 0 DBADRM CCN(CC(=O)N1CCN(CC[S@@](C)=O)CC1)C(=O)[O-] ZINC000739395121 803941578 /nfs/dbraw/zinc/94/15/78/803941578.db2.gz YHADQSLBWQWPRS-HXUWFJFHSA-N -1 0 305.400 -0.491 20 0 DBADRM COCCN(CC(=O)N[C@H](C)[C@H](C)N1CCOCC1)C(=O)[O-] ZINC000739823197 803942889 /nfs/dbraw/zinc/94/28/89/803942889.db2.gz QESBXBNUXZWNKK-NEPJUHHUSA-N -1 0 317.386 -0.162 20 0 DBADRM Cn1cc(C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000740285279 803945656 /nfs/dbraw/zinc/94/56/56/803945656.db2.gz WYYPGUNAZLKKQA-MRVPVSSYSA-N -1 0 310.310 -0.394 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(Cn2nnn(-c3ccccc3)c2=O)C1 ZINC000740646687 803947262 /nfs/dbraw/zinc/94/72/62/803947262.db2.gz PGFBPZDHNUWCRO-NSHDSACASA-N -1 0 318.337 -0.024 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000740664047 803947589 /nfs/dbraw/zinc/94/75/89/803947589.db2.gz SGSXLBZFXSQPTA-VIFPVBQESA-N -1 0 300.233 -0.204 20 0 DBADRM CC(C)(C)OC(=O)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000741699156 803961812 /nfs/dbraw/zinc/96/18/12/803961812.db2.gz WCDHNNRYDKSWMH-UHFFFAOYSA-N -1 0 321.337 -0.081 20 0 DBADRM NS(=O)(=O)N1CCN(C(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000743460632 803980210 /nfs/dbraw/zinc/98/02/10/803980210.db2.gz PSYZUFRKNIXCIJ-UHFFFAOYSA-N -1 0 321.305 -0.368 20 0 DBADRM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(=O)[nH][n-]1)CC2 ZINC000743656556 803984068 /nfs/dbraw/zinc/98/40/68/803984068.db2.gz AVZPEBFINROJEO-UHFFFAOYSA-N -1 0 322.346 -0.640 20 0 DBADRM COc1ccc(C(=O)[N-]S(C)(=O)=O)cc1N1CCNC1=O ZINC000744005034 803985503 /nfs/dbraw/zinc/98/55/03/803985503.db2.gz LZTAXPLWSDJGPE-UHFFFAOYSA-N -1 0 313.335 -0.086 20 0 DBADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000744131377 803987381 /nfs/dbraw/zinc/98/73/81/803987381.db2.gz CYRRTNFHTGJBKV-QMMMGPOBSA-N -1 0 317.371 -0.741 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccccc1OC ZINC000744207970 803987416 /nfs/dbraw/zinc/98/74/16/803987416.db2.gz TWNMOGIAYXKWBI-UHFFFAOYSA-N -1 0 302.308 -0.144 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000744242276 803988249 /nfs/dbraw/zinc/98/82/49/803988249.db2.gz ARGAZJAHEDELGE-VIFPVBQESA-N -1 0 305.400 -0.054 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cccc(OCC(N)=O)c1 ZINC000744239711 803988366 /nfs/dbraw/zinc/98/83/66/803988366.db2.gz GKGJQTALNSHWAO-UHFFFAOYSA-N -1 0 315.351 -0.523 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)C1CCCC1 ZINC000744241889 803988563 /nfs/dbraw/zinc/98/85/63/803988563.db2.gz PCNSDGARGJHLRM-NSHDSACASA-N -1 0 305.400 -0.006 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccccc1OCC(N)=O ZINC000744241214 803988649 /nfs/dbraw/zinc/98/86/49/803988649.db2.gz BXCKCEOXMUJSMO-UHFFFAOYSA-N -1 0 315.351 -0.523 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000744241498 803988775 /nfs/dbraw/zinc/98/87/75/803988775.db2.gz GCKOMIYFJHERLB-UHFFFAOYSA-N -1 0 305.356 -0.772 20 0 DBADRM CC[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)N1CCCC1=O ZINC000746236633 804012897 /nfs/dbraw/zinc/01/28/97/804012897.db2.gz KPLHWEUQQNHLDK-ZJUUUORDSA-N -1 0 308.342 -0.499 20 0 DBADRM CC(C)N1CC[C@@H](OC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1=O ZINC000746980458 804022738 /nfs/dbraw/zinc/02/27/38/804022738.db2.gz VDGUCDNSKLCKNN-SNVBAGLBSA-N -1 0 319.321 -0.376 20 0 DBADRM O=C(CSc1nnnn1C1CC1)[N-]S(=O)(=O)CCCF ZINC000747134637 804024076 /nfs/dbraw/zinc/02/40/76/804024076.db2.gz ZCVZXMCHLPDJHV-UHFFFAOYSA-N -1 0 323.375 -0.094 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)N2CCCC2)C1 ZINC000747110273 804024402 /nfs/dbraw/zinc/02/44/02/804024402.db2.gz UFHVSBZZWANOLJ-GFCCVEGCSA-N -1 0 303.384 -0.298 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC000747120236 804024525 /nfs/dbraw/zinc/02/45/25/804024525.db2.gz MPKBLGRHGZINSQ-GFCCVEGCSA-N -1 0 306.384 -0.273 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]OCc1cccnc1 ZINC000747170512 804025711 /nfs/dbraw/zinc/02/57/11/804025711.db2.gz WOJIHNDGTOLNFC-ZDUSSCGKSA-N -1 0 320.349 -0.244 20 0 DBADRM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)[C@H]1CCC(=O)NC1 ZINC000747473248 804029453 /nfs/dbraw/zinc/02/94/53/804029453.db2.gz BKJJTOPJGLNKEC-CMPLNLGQSA-N -1 0 300.322 -0.069 20 0 DBADRM O=C(NCCNS(=O)(=O)c1cccs1)c1cc(=O)[nH][n-]1 ZINC000747614087 804030755 /nfs/dbraw/zinc/03/07/55/804030755.db2.gz KRXKWOQKXTVHFH-UHFFFAOYSA-N -1 0 316.364 -0.982 20 0 DBADRM O=C(CCc1cscn1)[N-]S(=O)(=O)N1CCOCC1 ZINC000747756674 804031577 /nfs/dbraw/zinc/03/15/77/804031577.db2.gz CDTYIVAIILMNHN-UHFFFAOYSA-N -1 0 305.381 -0.231 20 0 DBADRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747757932 804032088 /nfs/dbraw/zinc/03/20/88/804032088.db2.gz ZXEZZYOQFASDNO-UHFFFAOYSA-N -1 0 321.399 -0.624 20 0 DBADRM CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747757412 804032538 /nfs/dbraw/zinc/03/25/38/804032538.db2.gz OSEIMXQZLLAGDD-UHFFFAOYSA-N -1 0 321.399 -0.768 20 0 DBADRM O=C(CN1c2ccccc2OCCC1=O)NCc1n[nH]c(=O)[n-]1 ZINC000748418255 804038864 /nfs/dbraw/zinc/03/88/64/804038864.db2.gz GJCIYHQNCKBKOX-UHFFFAOYSA-N -1 0 317.305 -0.058 20 0 DBADRM CC[C@@](C)(CC(=O)OC)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000748589806 804041686 /nfs/dbraw/zinc/04/16/86/804041686.db2.gz GEMQVBSCNVJVLY-AWEZNQCLSA-N -1 0 321.337 -0.081 20 0 DBADRM COCCO[N-]C(=O)CNC(=O)c1cnc2ccccc2c1O ZINC000748774835 804043402 /nfs/dbraw/zinc/04/34/02/804043402.db2.gz UDYGKIYLVTZJQN-UHFFFAOYSA-N -1 0 319.317 -0.048 20 0 DBADRM COCCO[N-]C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000748859193 804045678 /nfs/dbraw/zinc/04/56/78/804045678.db2.gz HPHJJCOHIMOBLV-UHFFFAOYSA-N -1 0 304.324 -0.593 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1cnn(CC)c1 ZINC000749229183 804047790 /nfs/dbraw/zinc/04/77/90/804047790.db2.gz WNACYEQVFBIIAT-UHFFFAOYSA-N -1 0 302.356 -0.376 20 0 DBADRM O=C([N-]CCNS(=O)(=O)Cc1ccon1)C(F)(F)F ZINC000750075525 804057634 /nfs/dbraw/zinc/05/76/34/804057634.db2.gz HLDGRFSJVHGEDA-UHFFFAOYSA-N -1 0 301.246 -0.228 20 0 DBADRM CO[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000750393000 804060473 /nfs/dbraw/zinc/06/04/73/804060473.db2.gz ZKTVWYZSCYSYKW-ZETCQYMHSA-N -1 0 303.340 -0.646 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C[C@@H](C)OC)CC1 ZINC000750400043 804060526 /nfs/dbraw/zinc/06/05/26/804060526.db2.gz UITIYMHXFDZIHU-SECBINFHSA-N -1 0 322.383 -0.343 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750729639 804064184 /nfs/dbraw/zinc/06/41/84/804064184.db2.gz BBNVUZNZNSVORO-UHFFFAOYSA-N -1 0 316.383 -0.727 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc2c(c1)CCO2 ZINC000750729552 804064807 /nfs/dbraw/zinc/06/48/07/804064807.db2.gz ABWPHVVFQRWJGN-UHFFFAOYSA-N -1 0 312.347 -0.072 20 0 DBADRM CC(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)n(C)c1 ZINC000750730512 804064934 /nfs/dbraw/zinc/06/49/34/804064934.db2.gz MFKSNVYPVZMCMB-UHFFFAOYSA-N -1 0 315.351 -0.466 20 0 DBADRM O=C(CSc1ccncc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750729371 804064956 /nfs/dbraw/zinc/06/49/56/804064956.db2.gz QGPOPKJFUDIJII-UHFFFAOYSA-N -1 0 317.392 -0.133 20 0 DBADRM CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750729906 804065079 /nfs/dbraw/zinc/06/50/79/804065079.db2.gz NVHZJILZQXTVCB-UHFFFAOYSA-N -1 0 321.399 -0.768 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCc2ccccc21)[C@@H]1COCCO1 ZINC000750883667 804067425 /nfs/dbraw/zinc/06/74/25/804067425.db2.gz VKAHXDPNGNTOLK-LBPRGKRZSA-N -1 0 312.347 -0.175 20 0 DBADRM CCOC(=O)C1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CCC1 ZINC000751926601 804081956 /nfs/dbraw/zinc/08/19/56/804081956.db2.gz BCPKDANISLVAFY-SECBINFHSA-N -1 0 309.326 -0.167 20 0 DBADRM CCOC(=O)NCCCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000751928962 804082271 /nfs/dbraw/zinc/08/22/71/804082271.db2.gz WCLSAECGZFTXGK-SECBINFHSA-N -1 0 312.330 -0.374 20 0 DBADRM CC(=O)N1CCCN(S(=O)(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC001465108241 804097648 /nfs/dbraw/zinc/09/76/48/804097648.db2.gz WNSMRIUOPCPFKL-WDEREUQCSA-N -1 0 304.368 -0.266 20 0 DBADRM O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1cc(=O)[nH][n-]1 ZINC000753503909 804104460 /nfs/dbraw/zinc/10/44/60/804104460.db2.gz DMGVFGFSPIPNLF-SNVBAGLBSA-N -1 0 301.306 -0.431 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccccc1-n1cccn1 ZINC000753950845 804113725 /nfs/dbraw/zinc/11/37/25/804113725.db2.gz PAKFFBHAXKPSSO-UHFFFAOYSA-N -1 0 308.319 -0.583 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000753949822 804114157 /nfs/dbraw/zinc/11/41/57/804114157.db2.gz HUUGCICBJFZEPN-UWVGGRQHSA-N -1 0 300.311 -0.140 20 0 DBADRM COc1ccc(CCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000753949227 804114468 /nfs/dbraw/zinc/11/44/68/804114468.db2.gz BACACDDVWBHJKC-UHFFFAOYSA-N -1 0 300.336 -0.441 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000754743540 804126418 /nfs/dbraw/zinc/12/64/18/804126418.db2.gz MJWAODBEWBDRBO-SNVBAGLBSA-N -1 0 324.424 -0.201 20 0 DBADRM C/C=C(\C)C(=O)N(C)C[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001281248915 804132941 /nfs/dbraw/zinc/13/29/41/804132941.db2.gz UKIFJFFTTGMBLF-YVFTVSHDSA-N -1 0 310.354 -0.061 20 0 DBADRM CN(C[C@H]1CCC[C@@H]1O)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000755234278 804134638 /nfs/dbraw/zinc/13/46/38/804134638.db2.gz ZCLIXROASJFFQT-KOLCDFICSA-N -1 0 305.338 -0.309 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H](C)n1nnnc1C(C)(C)C ZINC000755673507 804138854 /nfs/dbraw/zinc/13/88/54/804138854.db2.gz ZXGYROIQDYUEPE-MRVPVSSYSA-N -1 0 319.387 -0.376 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)OC ZINC000755686947 804139003 /nfs/dbraw/zinc/13/90/03/804139003.db2.gz NAIQSOSVWDPUDG-SNVBAGLBSA-N -1 0 322.383 -0.894 20 0 DBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)s1 ZINC000755871616 804141918 /nfs/dbraw/zinc/14/19/18/804141918.db2.gz APIYTWSDNVOHEQ-ZETCQYMHSA-N -1 0 303.365 -0.265 20 0 DBADRM CCOC[C@H]1CN(S(=O)(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CCO1 ZINC001465115171 804149791 /nfs/dbraw/zinc/14/97/91/804149791.db2.gz KTFQIMZUEBDRGN-OUAUKWLOSA-N -1 0 307.368 -0.083 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCO[C@]2(CCOC2)C1 ZINC001465115830 804157416 /nfs/dbraw/zinc/15/74/16/804157416.db2.gz VLCCGNBGUXPBEP-JFGNBEQYSA-N -1 0 305.352 -0.329 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cc1c(C)nn(C)c1C ZINC000757328920 804161498 /nfs/dbraw/zinc/16/14/98/804161498.db2.gz GARQHPDUILRYGO-UHFFFAOYSA-N -1 0 318.399 -0.481 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC000757323485 804161563 /nfs/dbraw/zinc/16/15/63/804161563.db2.gz KCONWPYJCXVFHM-NSHDSACASA-N -1 0 321.399 -0.816 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cccc2c1OCO2 ZINC000757328073 804161837 /nfs/dbraw/zinc/16/18/37/804161837.db2.gz AFADXEVELBUCJX-UHFFFAOYSA-N -1 0 316.335 -0.032 20 0 DBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000757329543 804162106 /nfs/dbraw/zinc/16/21/06/804162106.db2.gz CWGOOOPKNXZCCJ-SNVBAGLBSA-N -1 0 312.388 -0.633 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)COC1CCOCC1 ZINC000757341231 804162825 /nfs/dbraw/zinc/16/28/25/804162825.db2.gz ULSWGOIHUHFTLS-UHFFFAOYSA-N -1 0 310.372 -0.879 20 0 DBADRM CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000757338327 804163090 /nfs/dbraw/zinc/16/30/90/804163090.db2.gz CTSIOPSYPGWCQN-UHFFFAOYSA-N -1 0 323.415 -0.426 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C)[nH]c1=O ZINC000757335509 804163162 /nfs/dbraw/zinc/16/31/62/804163162.db2.gz PLPRXGAVDRPNOE-UHFFFAOYSA-N -1 0 303.340 -0.352 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCOC[C@@H]1CCCO1 ZINC000757339683 804163400 /nfs/dbraw/zinc/16/34/00/804163400.db2.gz JJWRXQUUWOXYAR-NSHDSACASA-N -1 0 324.399 -0.489 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000757885055 804170563 /nfs/dbraw/zinc/17/05/63/804170563.db2.gz GILSSOZESHATRJ-ZCFIWIBFSA-N -1 0 316.301 -0.253 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000758340250 804180396 /nfs/dbraw/zinc/18/03/96/804180396.db2.gz CBJYDSOOONHONY-ZCFIWIBFSA-N -1 0 318.317 -0.007 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000758483743 804185348 /nfs/dbraw/zinc/18/53/48/804185348.db2.gz FNWPHNCFFJOGLR-JTQLQIEISA-N -1 0 321.341 -0.471 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)OC)cn1 ZINC000758537819 804189505 /nfs/dbraw/zinc/18/95/05/804189505.db2.gz XQNFNKXYJBJZTD-MRVPVSSYSA-N -1 0 303.340 -0.093 20 0 DBADRM COc1c(C(=O)[N-]S(=O)(=O)c2cnccn2)c(C)nn1C ZINC000758560897 804190368 /nfs/dbraw/zinc/19/03/68/804190368.db2.gz VHUGAOFXAWAWQF-UHFFFAOYSA-N -1 0 311.323 -0.354 20 0 DBADRM O=C(CCNC(=O)c1ccco1)[N-]S(=O)(=O)c1cnccn1 ZINC000758581629 804190805 /nfs/dbraw/zinc/19/08/05/804190805.db2.gz VNGQRPAOKHFOPL-UHFFFAOYSA-N -1 0 324.318 -0.305 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnccn2)cc1 ZINC000758559470 804190936 /nfs/dbraw/zinc/19/09/36/804190936.db2.gz OUEPQBONYKDZLR-UHFFFAOYSA-N -1 0 306.303 -0.306 20 0 DBADRM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758577540 804191106 /nfs/dbraw/zinc/19/11/06/804191106.db2.gz LBVSUBMPNMGSKF-NXEZZACHSA-N -1 0 315.351 -0.134 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)CC(F)(F)F)C(=O)C1CC1 ZINC000759392221 804202837 /nfs/dbraw/zinc/20/28/37/804202837.db2.gz GKHAEDWXWWYVFP-UHFFFAOYSA-N -1 0 302.274 -0.137 20 0 DBADRM CCOCCC(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759512462 804203930 /nfs/dbraw/zinc/20/39/30/804203930.db2.gz UONUVKFERVTENL-UHFFFAOYSA-N -1 0 322.368 -0.272 20 0 DBADRM CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759510995 804204142 /nfs/dbraw/zinc/20/41/42/804204142.db2.gz LZFIRWKGNYKSIG-YFKPBYRVSA-N -1 0 322.368 -0.274 20 0 DBADRM CC[C@H](C[C@@H](C)CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000759572372 804204808 /nfs/dbraw/zinc/20/48/08/804204808.db2.gz ZVKWRLHSHGBCMC-NXEZZACHSA-N -1 0 307.354 -0.016 20 0 DBADRM CS(=O)(=O)N1CCN(CC(=O)[N-]O[C@H]2CCCCO2)CC1 ZINC000759636280 804206882 /nfs/dbraw/zinc/20/68/82/804206882.db2.gz IEXJZYWZGLDVEV-LBPRGKRZSA-N -1 0 321.399 -0.862 20 0 DBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000759799909 804209478 /nfs/dbraw/zinc/20/94/78/804209478.db2.gz GHNNDZUBYBXTRY-UHFFFAOYSA-N -1 0 318.351 -0.052 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(C)=O)cn1 ZINC000759828023 804209862 /nfs/dbraw/zinc/20/98/62/804209862.db2.gz HJQSVSDTKXFZHG-ZETCQYMHSA-N -1 0 301.324 -0.580 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CN(C)C(C)=O)cn1 ZINC000759831954 804210080 /nfs/dbraw/zinc/21/00/80/804210080.db2.gz GWOZOYYZFFANED-UHFFFAOYSA-N -1 0 301.324 -0.627 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C)cn1 ZINC000759801638 804210583 /nfs/dbraw/zinc/21/05/83/804210583.db2.gz NSLKULZIJYFXDG-VIFPVBQESA-N -1 0 313.335 -0.484 20 0 DBADRM COC[C@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(N)=O ZINC000760079154 804219370 /nfs/dbraw/zinc/21/93/70/804219370.db2.gz MESANANJHIBBMU-VIFPVBQESA-N -1 0 322.296 -0.053 20 0 DBADRM CCOC(=O)[C@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760485140 804224650 /nfs/dbraw/zinc/22/46/50/804224650.db2.gz LFYSXRNLOGEJTN-LURJTMIESA-N -1 0 314.260 -0.516 20 0 DBADRM CNS(=O)(=O)CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760528065 804225544 /nfs/dbraw/zinc/22/55/44/804225544.db2.gz XYOXSFIAHGKZPD-UHFFFAOYSA-N -1 0 319.305 -0.891 20 0 DBADRM CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)c1cc(=O)[nH][n-]1 ZINC000760921011 804230784 /nfs/dbraw/zinc/23/07/84/804230784.db2.gz LEKDHGOAUIUVCB-LLVKDONJSA-N -1 0 304.306 -0.452 20 0 DBADRM COC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(N)=O ZINC000760890200 804230989 /nfs/dbraw/zinc/23/09/89/804230989.db2.gz QSUBQDFZNZUMKV-SNVBAGLBSA-N -1 0 322.296 -0.053 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)[C@@H]1CCNC(=O)C1 ZINC000761134761 804234499 /nfs/dbraw/zinc/23/44/99/804234499.db2.gz DTWUJQBSGWRMGC-NXEZZACHSA-N -1 0 304.368 -0.472 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)[C@@H]1CCNC(=O)C1 ZINC000761134767 804234696 /nfs/dbraw/zinc/23/46/96/804234696.db2.gz DTWUJQBSGWRMGC-ZJUUUORDSA-N -1 0 304.368 -0.472 20 0 DBADRM NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000761337178 804238779 /nfs/dbraw/zinc/23/87/79/804238779.db2.gz HUOWCRKMGAPRGI-QMMMGPOBSA-N -1 0 319.364 -0.696 20 0 DBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762130385 804244458 /nfs/dbraw/zinc/24/44/58/804244458.db2.gz GRTQLSJNRGBXMT-WDEREUQCSA-N -1 0 309.384 -0.090 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762132674 804244718 /nfs/dbraw/zinc/24/47/18/804244718.db2.gz LVITYZLITDDDRM-MRVPVSSYSA-N -1 0 315.351 -0.780 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000762643391 804252474 /nfs/dbraw/zinc/25/24/74/804252474.db2.gz KXESXWYIZVGRHF-UHFFFAOYSA-N -1 0 301.324 -0.129 20 0 DBADRM CS/C=C\C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000762961676 804258445 /nfs/dbraw/zinc/25/84/45/804258445.db2.gz OZYZNDBCKIXXRI-ARJAWSKDSA-N -1 0 303.365 -0.194 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CN(C)[C@H]1CCSC1 ZINC000764154617 804278861 /nfs/dbraw/zinc/27/88/61/804278861.db2.gz GFUYPVXOTLQGLU-UWVGGRQHSA-N -1 0 310.441 -0.095 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000764155677 804279130 /nfs/dbraw/zinc/27/91/30/804279130.db2.gz KFQNISYMQGOVRE-DTWKUNHWSA-N -1 0 301.368 -0.005 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000764155679 804279275 /nfs/dbraw/zinc/27/92/75/804279275.db2.gz KFQNISYMQGOVRE-IUCAKERBSA-N -1 0 301.368 -0.005 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)COc1c(C)nn(C)c1C ZINC000764215628 804280332 /nfs/dbraw/zinc/28/03/32/804280332.db2.gz GCUCQGHZVZYHAI-QMMMGPOBSA-N -1 0 319.383 -0.103 20 0 DBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C1=O ZINC000764311236 804281446 /nfs/dbraw/zinc/28/14/46/804281446.db2.gz RGWHYKTYLPFAHI-VIFPVBQESA-N -1 0 306.384 -0.274 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)cc1 ZINC000764219840 804281542 /nfs/dbraw/zinc/28/15/42/804281542.db2.gz XQIKIYHJEKRHQS-QMMMGPOBSA-N -1 0 300.336 -0.120 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)CCC(C)(C)OC ZINC000764286248 804281758 /nfs/dbraw/zinc/28/17/58/804281758.db2.gz AQJRDKSDNAZCDS-NSHDSACASA-N -1 0 322.427 -0.032 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000764791281 804289063 /nfs/dbraw/zinc/28/90/63/804289063.db2.gz RQTMYWMLIKTUFY-UHFFFAOYSA-N -1 0 300.292 -0.644 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CCNC(=O)C(C)(C)C ZINC000765650137 804305186 /nfs/dbraw/zinc/30/51/86/804305186.db2.gz DIPIGUXIPOUMNA-UHFFFAOYSA-N -1 0 316.383 -0.223 20 0 DBADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)c2ccnn2C)no1 ZINC000765656014 804305777 /nfs/dbraw/zinc/30/57/77/804305777.db2.gz FJAMJSFQLWZUQV-UHFFFAOYSA-N -1 0 300.296 -0.400 20 0 DBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765662816 804305801 /nfs/dbraw/zinc/30/58/01/804305801.db2.gz MWJAZKQCNYRCJO-UHFFFAOYSA-N -1 0 321.380 -0.479 20 0 DBADRM Cc1cc(C)n([C@@H](C)CC(=O)[N-]S(=O)(=O)CC(N)=O)n1 ZINC000766909771 804320152 /nfs/dbraw/zinc/32/01/52/804320152.db2.gz KOZNMGYBXUXLGF-VIFPVBQESA-N -1 0 302.356 -0.618 20 0 DBADRM O=C(Cn1ccccc1=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000766902517 804321206 /nfs/dbraw/zinc/32/12/06/804321206.db2.gz VOEXHCWHCVGFJG-UHFFFAOYSA-N -1 0 307.331 -0.111 20 0 DBADRM COc1ccccc1C1(C(=O)[N-]S(=O)(=O)CC(N)=O)CC1 ZINC000766920679 804321578 /nfs/dbraw/zinc/32/15/78/804321578.db2.gz DKTBDPILBQHPQE-UHFFFAOYSA-N -1 0 312.347 -0.342 20 0 DBADRM COc1cccc(CCC(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766921538 804321610 /nfs/dbraw/zinc/32/16/10/804321610.db2.gz KTMWAHNOKDQEPJ-UHFFFAOYSA-N -1 0 300.336 -0.441 20 0 DBADRM CC(C)(Oc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766916774 804322017 /nfs/dbraw/zinc/32/20/17/804322017.db2.gz PQESBGHUFKZCSG-UHFFFAOYSA-N -1 0 318.326 -0.086 20 0 DBADRM COc1nc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2ccccc21 ZINC000766924073 804322207 /nfs/dbraw/zinc/32/22/07/804322207.db2.gz NGILQDOXOOFYOB-UHFFFAOYSA-N -1 0 323.330 -0.212 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000766923300 804322403 /nfs/dbraw/zinc/32/24/03/804322403.db2.gz QQTFKZOHZJUGFZ-UHFFFAOYSA-N -1 0 321.358 -0.049 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000766923926 804322648 /nfs/dbraw/zinc/32/26/48/804322648.db2.gz KOYRKWRGKZHTLL-BXUZGUMPSA-N -1 0 308.359 -0.178 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1sccc1OC(F)F ZINC000766923831 804322905 /nfs/dbraw/zinc/32/29/05/804322905.db2.gz SQJKSRBPHIZAHG-UHFFFAOYSA-N -1 0 314.291 -0.106 20 0 DBADRM C[C@@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766926229 804323600 /nfs/dbraw/zinc/32/36/00/804323600.db2.gz LBFLLAIXENXGAC-SECBINFHSA-N -1 0 300.336 -0.477 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccn(C2CCCC2)n1 ZINC000766925456 804323766 /nfs/dbraw/zinc/32/37/66/804323766.db2.gz ISNSDGIVVNFNQQ-UHFFFAOYSA-N -1 0 300.340 -0.457 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(OC(F)F)c1 ZINC000766930120 804324083 /nfs/dbraw/zinc/32/40/83/804324083.db2.gz WIFRFFYIENXXDN-UHFFFAOYSA-N -1 0 308.262 -0.167 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000766929690 804324156 /nfs/dbraw/zinc/32/41/56/804324156.db2.gz RKMFUKZZWBPYLX-UHFFFAOYSA-N -1 0 308.319 -0.378 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)CCCCOC ZINC000766956152 804325171 /nfs/dbraw/zinc/32/51/71/804325171.db2.gz HAXXXUDLRWFACB-LLVKDONJSA-N -1 0 308.400 -0.420 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000767088437 804325782 /nfs/dbraw/zinc/32/57/82/804325782.db2.gz LDDDPERKAVJVRZ-QPJJXVBHSA-N -1 0 319.317 -0.025 20 0 DBADRM C[C@@H](CO[N-]C(=O)Cn1cnnn1)NC(=O)OC(C)(C)C ZINC000767179244 804326721 /nfs/dbraw/zinc/32/67/21/804326721.db2.gz RUKHMPMHHIAITR-QMMMGPOBSA-N -1 0 300.319 -0.366 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)c1 ZINC000767494733 804331165 /nfs/dbraw/zinc/33/11/65/804331165.db2.gz CSIZHWGYXZSOBN-VIFPVBQESA-N -1 0 314.367 -0.205 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1 ZINC000767837819 804334960 /nfs/dbraw/zinc/33/49/60/804334960.db2.gz LISAYIJLKZIWFW-UHFFFAOYSA-N -1 0 317.279 -0.847 20 0 DBADRM CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1nnn[n-]1 ZINC000767916706 804336346 /nfs/dbraw/zinc/33/63/46/804336346.db2.gz NHNZTMXDZYGYJV-MRVPVSSYSA-N -1 0 314.346 -0.254 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)C1(C)COC1 ZINC000768019933 804337160 /nfs/dbraw/zinc/33/71/60/804337160.db2.gz AWGPBPKOMJAPRL-UHFFFAOYSA-N -1 0 320.348 -0.229 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)CCN1CCCC1=O ZINC000768212437 804337893 /nfs/dbraw/zinc/33/78/93/804337893.db2.gz WHZHQJPWQFAHQQ-UHFFFAOYSA-N -1 0 322.383 -0.892 20 0 DBADRM CN(CCCn1ccnc1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000768325530 804338290 /nfs/dbraw/zinc/33/82/90/804338290.db2.gz ZCDSVBIJRRKCDS-UHFFFAOYSA-N -1 0 315.337 -0.184 20 0 DBADRM C[C@@H](CNC(=O)c1n[n-]c2ccccc2c1=O)S(N)(=O)=O ZINC000768595440 804340985 /nfs/dbraw/zinc/34/09/85/804340985.db2.gz QGNJBZYOQKEWBO-ZETCQYMHSA-N -1 0 310.335 -0.258 20 0 DBADRM Cc1ncccc1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000768757941 804342492 /nfs/dbraw/zinc/34/24/92/804342492.db2.gz ZELWQMDLYNAWFN-UHFFFAOYSA-N -1 0 322.346 -0.054 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)O1 ZINC000769222495 804347485 /nfs/dbraw/zinc/34/74/85/804347485.db2.gz ZGEVHLSHUJFOCL-MRVPVSSYSA-N -1 0 307.310 -0.661 20 0 DBADRM C[C@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000769743121 804351886 /nfs/dbraw/zinc/35/18/86/804351886.db2.gz KZGPCLZCQLQNLB-ZDUSSCGKSA-N -1 0 308.269 -0.028 20 0 DBADRM C[C@](O)(CNC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)[O-] ZINC000769746769 804351958 /nfs/dbraw/zinc/35/19/58/804351958.db2.gz MJTPRYMZOLMTCE-LBPRGKRZSA-N -1 0 316.335 -0.377 20 0 DBADRM NC(=O)c1sccc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000769703584 804352644 /nfs/dbraw/zinc/35/26/44/804352644.db2.gz PVQXFXNKSYDDDO-UHFFFAOYSA-N -1 0 318.318 -0.130 20 0 DBADRM C[C@@](O)(CNC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)[O-] ZINC000769746768 804352672 /nfs/dbraw/zinc/35/26/72/804352672.db2.gz MJTPRYMZOLMTCE-GFCCVEGCSA-N -1 0 316.335 -0.377 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCc1cnn(C)c1 ZINC000770357795 804362068 /nfs/dbraw/zinc/36/20/68/804362068.db2.gz XYJWKQXBAYXLTJ-UHFFFAOYSA-N -1 0 303.340 -0.638 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCNC(=O)OCC ZINC000770361856 804362396 /nfs/dbraw/zinc/36/23/96/804362396.db2.gz XJXDOAWRATZDIF-UHFFFAOYSA-N -1 0 310.328 -0.868 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)CO[C@H]2CCOC2)c1[O-] ZINC001282974503 804364387 /nfs/dbraw/zinc/36/43/87/804364387.db2.gz LJEUUQOTMFZDRT-VIFPVBQESA-N -1 0 312.326 -0.925 20 0 DBADRM COc1ccnc(C(=O)NCCNC(=O)c2[nH]nc(C)c2[O-])c1 ZINC001282975644 804365493 /nfs/dbraw/zinc/36/54/93/804365493.db2.gz SVCRZTHTYVWGIB-UHFFFAOYSA-N -1 0 319.321 -0.013 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)Cc1nc2ncccn2n1 ZINC000770618867 804366798 /nfs/dbraw/zinc/36/67/98/804366798.db2.gz PNRKLRDXKMWWKI-UHFFFAOYSA-N -1 0 312.355 -0.630 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1 ZINC000770618557 804367183 /nfs/dbraw/zinc/36/71/83/804367183.db2.gz XULYDWNMDCELFA-UHFFFAOYSA-N -1 0 324.366 -0.021 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1C ZINC000771519691 804376611 /nfs/dbraw/zinc/37/66/11/804376611.db2.gz SNXZNZGATZTZOM-IONNQARKSA-N -1 0 317.367 -0.014 20 0 DBADRM CC/C(C)=C/C(=O)NCCNC(=O)c1cnc([O-])n(C)c1=O ZINC001282998796 804377657 /nfs/dbraw/zinc/37/76/57/804377657.db2.gz IFXWSEVNKORZTH-VQHVLOKHSA-N -1 0 308.338 -0.312 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)[N-]n2ccccc2=O)cn1 ZINC000771738157 804379603 /nfs/dbraw/zinc/37/96/03/804379603.db2.gz KJRHRUSEGIZNFC-UHFFFAOYSA-N -1 0 308.319 -0.465 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc(CC(=O)NC)cc2)c1[O-] ZINC000771877917 804381932 /nfs/dbraw/zinc/38/19/32/804381932.db2.gz KPQKUXYXXTZJTB-GFCCVEGCSA-N -1 0 319.317 -0.037 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC2(CC1)OCCO2 ZINC000772224329 804385553 /nfs/dbraw/zinc/38/55/53/804385553.db2.gz BIXUBYCGOMBSCP-UHFFFAOYSA-N -1 0 300.340 -0.032 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000772670568 804390231 /nfs/dbraw/zinc/39/02/31/804390231.db2.gz QRBWPMKFEJRJIX-UHFFFAOYSA-N -1 0 313.379 -0.184 20 0 DBADRM CC(C)(CCCO)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000772910402 804393869 /nfs/dbraw/zinc/39/38/69/804393869.db2.gz NKRQDXKGMCVMLN-UHFFFAOYSA-N -1 0 307.354 -0.014 20 0 DBADRM COC(=O)c1cn(CC(=O)[N-]OCC(N)=O)c2ccccc12 ZINC000772938369 804394374 /nfs/dbraw/zinc/39/43/74/804394374.db2.gz JRMCHXQNIYISQY-UHFFFAOYSA-N -1 0 305.290 -0.039 20 0 DBADRM CCOC(=O)NCCC(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000773158894 804397429 /nfs/dbraw/zinc/39/74/29/804397429.db2.gz KJUQCXBUNWSDCG-MRVPVSSYSA-N -1 0 314.371 -0.048 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1 ZINC000773623532 804405562 /nfs/dbraw/zinc/40/55/62/804405562.db2.gz KFEYAJBSBRGUNC-UHFFFAOYSA-N -1 0 313.310 -0.166 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1cc(C(N)=O)ccc1F ZINC000773639421 804405801 /nfs/dbraw/zinc/40/58/01/804405801.db2.gz OAGVEFFXIKBFCP-UHFFFAOYSA-N -1 0 313.285 -0.053 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2nccs2)cc1C(N)=O ZINC000774036815 804411972 /nfs/dbraw/zinc/41/19/72/804411972.db2.gz ZZXHOFAAPUDKMN-UHFFFAOYSA-N -1 0 314.348 -0.301 20 0 DBADRM O=C(Cc1ccccc1)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001283102977 804414890 /nfs/dbraw/zinc/41/48/90/804414890.db2.gz FCHNAZBSBRTJIY-UHFFFAOYSA-N -1 0 319.321 -0.836 20 0 DBADRM COc1ccccc1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C1=O ZINC000774105452 804415075 /nfs/dbraw/zinc/41/50/75/804415075.db2.gz UAWYCYDYMNVGEU-SECBINFHSA-N -1 0 312.347 -0.022 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCOC[C@H]1C ZINC000774142546 804415166 /nfs/dbraw/zinc/41/51/66/804415166.db2.gz MDQYENKWZUHLSK-MNOVXSKESA-N -1 0 309.384 -0.232 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)c1cnccn1)[C@H]1CCSC1 ZINC000774178101 804416088 /nfs/dbraw/zinc/41/60/88/804416088.db2.gz WKXSEVMSWMXURN-VIFPVBQESA-N -1 0 316.408 -0.281 20 0 DBADRM CCOc1nc(C(=O)[N-]S(=O)(=O)N(C)CCOC)co1 ZINC000774173802 804416115 /nfs/dbraw/zinc/41/61/15/804416115.db2.gz NISAIRIPGSEECP-UHFFFAOYSA-N -1 0 307.328 -0.374 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)c1cnccn1)[C@@H]1CCSC1 ZINC000774178100 804416739 /nfs/dbraw/zinc/41/67/39/804416739.db2.gz WKXSEVMSWMXURN-SECBINFHSA-N -1 0 316.408 -0.281 20 0 DBADRM COc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)nn1C ZINC000774258058 804418759 /nfs/dbraw/zinc/41/87/59/804418759.db2.gz RZSGFXXLLQAXRQ-QMMMGPOBSA-N -1 0 303.340 -0.475 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1)[C@@H]1CCSC1 ZINC000774258964 804419016 /nfs/dbraw/zinc/41/90/16/804419016.db2.gz VFYIPVFVXUYXKC-GHMZBOCLSA-N -1 0 322.452 -0.094 20 0 DBADRM COc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)nn1C ZINC000774305145 804420549 /nfs/dbraw/zinc/42/05/49/804420549.db2.gz RKQPLNKJZLYTAA-MRVPVSSYSA-N -1 0 303.340 -0.333 20 0 DBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)C2CCC2)CC1=O ZINC000774296642 804420700 /nfs/dbraw/zinc/42/07/00/804420700.db2.gz RZEFAOBPTHFYLK-SECBINFHSA-N -1 0 304.368 -0.520 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)C1(CCF)CC1 ZINC001283119342 804421585 /nfs/dbraw/zinc/42/15/85/804421585.db2.gz YFKGJROGJOCLPU-UHFFFAOYSA-N -1 0 315.305 -0.939 20 0 DBADRM CCOc1nc(C(=O)[N-]S(=O)(=O)c2ccnn2C)co1 ZINC000774480813 804424299 /nfs/dbraw/zinc/42/42/99/804424299.db2.gz FFXCYLRQENQDOF-UHFFFAOYSA-N -1 0 300.296 -0.075 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)c1ccnn1C)[C@H]1CCSC1 ZINC000774481054 804424325 /nfs/dbraw/zinc/42/43/25/804424325.db2.gz HLJWUFLEJJOIIR-VIFPVBQESA-N -1 0 318.424 -0.338 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)c1ccnn1C)[C@@H]1CCSC1 ZINC000774481053 804424433 /nfs/dbraw/zinc/42/44/33/804424433.db2.gz HLJWUFLEJJOIIR-SECBINFHSA-N -1 0 318.424 -0.338 20 0 DBADRM O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)OCc1n[nH]c(=O)[n-]1 ZINC000774897766 804432640 /nfs/dbraw/zinc/43/26/40/804432640.db2.gz SEKJRJBHTJYQEA-UHFFFAOYSA-N -1 0 317.261 -0.331 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000774881565 804433463 /nfs/dbraw/zinc/43/34/63/804433463.db2.gz ASMDJUJFGNNGLD-UHFFFAOYSA-N -1 0 312.307 -0.225 20 0 DBADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774916411 804434728 /nfs/dbraw/zinc/43/47/28/804434728.db2.gz YUMRMFZOFTUZQO-UHFFFAOYSA-N -1 0 316.295 -0.275 20 0 DBADRM CS(=O)(=O)c1cc(N)cc(C(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000774960980 804435522 /nfs/dbraw/zinc/43/55/22/804435522.db2.gz FZBNWRKBENWTHA-UHFFFAOYSA-N -1 0 312.307 -0.147 20 0 DBADRM O=C(OCc1n[nH]c(=O)[n-]1)c1cn(Cc2ccccn2)nn1 ZINC000774959221 804436055 /nfs/dbraw/zinc/43/60/55/804436055.db2.gz LGVYWBVNTFKGLZ-UHFFFAOYSA-N -1 0 301.266 -0.098 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)CC1 ZINC000775231100 804439223 /nfs/dbraw/zinc/43/92/23/804439223.db2.gz FSRDMANHTABPBT-UHFFFAOYSA-N -1 0 301.324 -0.432 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)CC1 ZINC000775275962 804439686 /nfs/dbraw/zinc/43/96/86/804439686.db2.gz PDMJUEGCQIIRSK-VIFPVBQESA-N -1 0 305.352 -0.188 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)CCOCCOC)CC1 ZINC000775258192 804439761 /nfs/dbraw/zinc/43/97/61/804439761.db2.gz SURZINVIAIUWJY-UHFFFAOYSA-N -1 0 323.367 -0.561 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)[N-]OC1CCOCC1 ZINC000775246524 804439848 /nfs/dbraw/zinc/43/98/48/804439848.db2.gz QPDFBASHIROZQR-UHFFFAOYSA-N -1 0 310.372 -0.831 20 0 DBADRM COc1cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cnc1Cl ZINC000776484693 804456755 /nfs/dbraw/zinc/45/67/55/804456755.db2.gz HRUVJEFIPLUDLE-ZETCQYMHSA-N -1 0 324.742 -0.143 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCO[C@H](C)C1 ZINC000776534992 804456914 /nfs/dbraw/zinc/45/69/14/804456914.db2.gz XWPYYNGTLBCYMB-MNOVXSKESA-N -1 0 309.384 -0.090 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000776516312 804457070 /nfs/dbraw/zinc/45/70/70/804457070.db2.gz WDDGJILYCUTAAC-ZCFIWIBFSA-N -1 0 319.726 -0.289 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)c1Cl ZINC000776502548 804457152 /nfs/dbraw/zinc/45/71/52/804457152.db2.gz GOLDIONTQQJXNU-RQJHMYQMSA-N -1 0 323.758 -0.159 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000776578034 804457798 /nfs/dbraw/zinc/45/77/98/804457798.db2.gz SXRQJPZRLLYXTH-NSHDSACASA-N -1 0 324.399 -0.331 20 0 DBADRM Cc1ccc([C@]2(C)NC(=O)N(CC(=O)[N-]OCCO)C2=O)cc1 ZINC000776583716 804459361 /nfs/dbraw/zinc/45/93/61/804459361.db2.gz DTEAFGILYCINMR-HNNXBMFYSA-N -1 0 321.333 -0.198 20 0 DBADRM C[C@@H](CCNS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776590486 804459518 /nfs/dbraw/zinc/45/95/18/804459518.db2.gz UDGKJMQXPXLCPO-JTQLQIEISA-N -1 0 322.383 -0.230 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)NCC[C@@H](C)C(=O)[O-])cn1 ZINC000776589451 804459777 /nfs/dbraw/zinc/45/97/77/804459777.db2.gz LYSYMEVCKOIVGW-MRVPVSSYSA-N -1 0 319.339 -0.555 20 0 DBADRM COc1cccc(C[C@@H](C(=O)[N-]OCCO)n2nnnc2C)c1 ZINC000776584919 804459940 /nfs/dbraw/zinc/45/99/40/804459940.db2.gz YCRHJZDFUCLECT-ZDUSSCGKSA-N -1 0 321.337 -0.186 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-] ZINC000776626063 804460816 /nfs/dbraw/zinc/46/08/16/804460816.db2.gz KDFKBQOMTFOSSD-ZETCQYMHSA-N -1 0 301.280 -0.399 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000776712961 804461997 /nfs/dbraw/zinc/46/19/97/804461997.db2.gz RVCLESYNJKJIFR-BDAKNGLRSA-N -1 0 307.372 -0.778 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000776689656 804462147 /nfs/dbraw/zinc/46/21/47/804462147.db2.gz BIMJCCVZIKBSQH-SNVBAGLBSA-N -1 0 323.367 -0.165 20 0 DBADRM CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)CCS(C)(=O)=O ZINC000776685006 804462168 /nfs/dbraw/zinc/46/21/68/804462168.db2.gz IKVXOVWXIRJFSM-VIFPVBQESA-N -1 0 315.413 -0.208 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@@H](n3cncn3)C2)c[nH]1 ZINC000776743755 804463518 /nfs/dbraw/zinc/46/35/18/804463518.db2.gz TYOYDNBTQMDETN-MRVPVSSYSA-N -1 0 311.323 -0.060 20 0 DBADRM COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000777323896 804469863 /nfs/dbraw/zinc/46/98/63/804469863.db2.gz BRQPVYSVQSUQQZ-UHFFFAOYSA-N -1 0 315.351 -0.295 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C)nc1OC ZINC000777330479 804469977 /nfs/dbraw/zinc/46/99/77/804469977.db2.gz IRSVWWRMIWMEOD-UHFFFAOYSA-N -1 0 317.367 -0.049 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc2nncn2c1 ZINC000777446746 804471326 /nfs/dbraw/zinc/47/13/26/804471326.db2.gz DBENLXKUPQBLOR-UHFFFAOYSA-N -1 0 310.277 -0.247 20 0 DBADRM CC(C)[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCO1 ZINC000778485622 804483817 /nfs/dbraw/zinc/48/38/17/804483817.db2.gz GVRNESSAAPFASU-LLVKDONJSA-N -1 0 305.338 -0.045 20 0 DBADRM CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001283338368 804487579 /nfs/dbraw/zinc/48/75/79/804487579.db2.gz AAQIWPUVHICJAI-SECBINFHSA-N -1 0 323.353 -0.719 20 0 DBADRM CCC1(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2OC)COC1 ZINC000778842334 804489094 /nfs/dbraw/zinc/48/90/94/804489094.db2.gz BGVMYENWMWZCMY-UHFFFAOYSA-N -1 0 317.367 -0.031 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@]2(C)CCOC2)c(C)nn1C ZINC000778846226 804490025 /nfs/dbraw/zinc/49/00/25/804490025.db2.gz ARSJKWRDSFWAJS-GFCCVEGCSA-N -1 0 317.367 -0.031 20 0 DBADRM CN(CCOCCNC(=O)C(C)(F)F)Cc1n[nH]c(=O)[n-]1 ZINC001283351426 804490059 /nfs/dbraw/zinc/49/00/59/804490059.db2.gz VDPJTMAERRRGAM-UHFFFAOYSA-N -1 0 307.301 -0.270 20 0 DBADRM CC/C=C(/C)C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001283355566 804491132 /nfs/dbraw/zinc/49/11/32/804491132.db2.gz LDSAWBKACQDZIH-ZUYFITGHSA-N -1 0 323.353 -0.237 20 0 DBADRM CN(CCOCCNC(=O)c1cn[nH]c1)Cc1n[nH]c(=O)[n-]1 ZINC001283358961 804492225 /nfs/dbraw/zinc/49/22/25/804492225.db2.gz GAOSXEANGUYHLF-UHFFFAOYSA-N -1 0 309.330 -0.888 20 0 DBADRM CCn1cc(-c2[nH]ncc2C(=O)[N-]N2CC(=O)N(C)C2=O)cn1 ZINC000779044661 804492860 /nfs/dbraw/zinc/49/28/60/804492860.db2.gz BJFFQDIMOZWNDP-UHFFFAOYSA-N -1 0 317.309 -0.168 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H](C(N)=O)C1 ZINC000779303960 804496561 /nfs/dbraw/zinc/49/65/61/804496561.db2.gz GSADPGFNVGLSAH-WPRPVWTQSA-N -1 0 318.337 -0.816 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H](C(N)=O)C1 ZINC000779303957 804496675 /nfs/dbraw/zinc/49/66/75/804496675.db2.gz GSADPGFNVGLSAH-SCZZXKLOSA-N -1 0 318.337 -0.816 20 0 DBADRM CS(=O)(=O)N1CCN(CC(=O)[N-]OC2CCCCC2)CC1 ZINC000779322675 804496983 /nfs/dbraw/zinc/49/69/83/804496983.db2.gz VUCBXSWGVIMYOI-UHFFFAOYSA-N -1 0 319.427 -0.056 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000779468064 804497460 /nfs/dbraw/zinc/49/74/60/804497460.db2.gz ZEXPHJQHMYBFTE-UHFFFAOYSA-N -1 0 317.277 -0.119 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)N[C@H]3CNC(=O)C3)cc2[n-]c1=S ZINC000779445162 804497594 /nfs/dbraw/zinc/49/75/94/804497594.db2.gz WWCARMYQNURLNE-MRVPVSSYSA-N -1 0 318.358 -0.160 20 0 DBADRM O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)c2cc(=O)[nH][n-]2)C1 ZINC000779462821 804497835 /nfs/dbraw/zinc/49/78/35/804497835.db2.gz WYYXOXBMGMKJCK-ZCFIWIBFSA-N -1 0 306.244 -0.611 20 0 DBADRM COc1ccc(N2CC(=O)C(C(=O)[N-]OCC(N)=O)=N2)cc1 ZINC000779546379 804501794 /nfs/dbraw/zinc/50/17/94/804501794.db2.gz XHNFYLXIWOQXBG-UHFFFAOYSA-N -1 0 306.278 -0.267 20 0 DBADRM CN(CCCNC(=O)C(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001283475544 804510052 /nfs/dbraw/zinc/51/00/52/804510052.db2.gz AGRRCHLCEZVUHB-UHFFFAOYSA-N -1 0 305.241 -0.874 20 0 DBADRM CCC(=O)NCCCN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001283475431 804510065 /nfs/dbraw/zinc/51/00/65/804510065.db2.gz WLVBSCPAULZPQV-UHFFFAOYSA-N -1 0 313.358 -0.156 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-] ZINC000780287254 804513459 /nfs/dbraw/zinc/51/34/59/804513459.db2.gz NERZPOZJUQJCDU-GFCCVEGCSA-N -1 0 324.399 -0.595 20 0 DBADRM CCOCCO[C@@H](C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000780314530 804513529 /nfs/dbraw/zinc/51/35/29/804513529.db2.gz TXJSZWCDYNMFQG-VIFPVBQESA-N -1 0 312.326 -0.199 20 0 DBADRM CCNC(=O)CCCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000780314118 804513715 /nfs/dbraw/zinc/51/37/15/804513715.db2.gz PDBJBPVPUBOAIX-UHFFFAOYSA-N -1 0 309.326 -0.334 20 0 DBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)CCCF)cn1 ZINC000780400065 804515117 /nfs/dbraw/zinc/51/51/17/804515117.db2.gz ICIHNYDPDUYFIE-UHFFFAOYSA-N -1 0 305.287 -0.318 20 0 DBADRM O=C(CCN1CCCC1=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780616829 804517480 /nfs/dbraw/zinc/51/74/80/804517480.db2.gz OJXXBOAOMJIJDY-SNVBAGLBSA-N -1 0 304.368 -0.376 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)NCCOC[C@@H]1CCCO1 ZINC000780577697 804517590 /nfs/dbraw/zinc/51/75/90/804517590.db2.gz RGEFLAUZKFPMEN-WDEREUQCSA-N -1 0 302.327 -0.323 20 0 DBADRM O=C(Cn1ccccc1=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780611666 804517597 /nfs/dbraw/zinc/51/75/97/804517597.db2.gz FVTGIXLHENLYEJ-SNVBAGLBSA-N -1 0 300.336 -0.527 20 0 DBADRM O=C(COC1CCOCC1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780612709 804517639 /nfs/dbraw/zinc/51/76/39/804517639.db2.gz XLFQWRGKFXHXRU-NSHDSACASA-N -1 0 307.368 -0.193 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)NCCOC[C@H]1CCCO1 ZINC000780577691 804517876 /nfs/dbraw/zinc/51/78/76/804517876.db2.gz RGEFLAUZKFPMEN-GHMZBOCLSA-N -1 0 302.327 -0.323 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)CCC1 ZINC000780606351 804517988 /nfs/dbraw/zinc/51/79/88/804517988.db2.gz BIIAGZHBRGQZLC-SECBINFHSA-N -1 0 304.368 -0.472 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)N(CC(=O)[O-])C2CC2)C1 ZINC000780695565 804518575 /nfs/dbraw/zinc/51/85/75/804518575.db2.gz SFIIVTFUPRPGIZ-SECBINFHSA-N -1 0 319.383 -0.474 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781500187 804529557 /nfs/dbraw/zinc/52/95/57/804529557.db2.gz JOIJGCSLKWRZIC-JTQLQIEISA-N -1 0 306.384 -0.082 20 0 DBADRM CCn1cc(CC(=O)[N-]S(=O)(=O)CCCC(=O)OC)cn1 ZINC000781473788 804529666 /nfs/dbraw/zinc/52/96/66/804529666.db2.gz DXEGRMKYHFMIOW-UHFFFAOYSA-N -1 0 317.367 -0.155 20 0 DBADRM O=C(CN1CCSC1=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781511643 804529747 /nfs/dbraw/zinc/52/97/47/804529747.db2.gz OLEPVDCMLIAKHL-QMMMGPOBSA-N -1 0 308.381 -0.220 20 0 DBADRM O=C(COC1CCOCC1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781501229 804530114 /nfs/dbraw/zinc/53/01/14/804530114.db2.gz SMCUPWNRSOQWSX-LLVKDONJSA-N -1 0 307.368 -0.193 20 0 DBADRM CCn1cc(CC(=O)[N-]S(=O)(=O)N(C)CCOC)cn1 ZINC000781507200 804530175 /nfs/dbraw/zinc/53/01/75/804530175.db2.gz KGPCOYGXQWIXTJ-UHFFFAOYSA-N -1 0 304.372 -0.615 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccnc(Cl)c1 ZINC000781728956 804533431 /nfs/dbraw/zinc/53/34/31/804533431.db2.gz KCCHIJLWPQWNFS-UHFFFAOYSA-N -1 0 301.715 -0.018 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1OCCc2ccccc21 ZINC000781736839 804534384 /nfs/dbraw/zinc/53/43/84/804534384.db2.gz BXMXHUPLDBNFAM-GFCCVEGCSA-N -1 0 322.346 -0.066 20 0 DBADRM CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781732562 804534437 /nfs/dbraw/zinc/53/44/37/804534437.db2.gz NTJBWGDVBQWQQE-UHFFFAOYSA-N -1 0 311.323 -0.273 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cn2ccccc2n1 ZINC000781739687 804534515 /nfs/dbraw/zinc/53/45/15/804534515.db2.gz HGNGADHSLYWUHF-UHFFFAOYSA-N -1 0 306.307 -0.419 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)COC2 ZINC000781729954 804534568 /nfs/dbraw/zinc/53/45/68/804534568.db2.gz UMXHOSIWLTTZLR-UHFFFAOYSA-N -1 0 322.346 -0.107 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)Cn1ncc2ccccc21 ZINC000781734065 804534679 /nfs/dbraw/zinc/53/46/79/804534679.db2.gz HAABOEWTGSAPME-UHFFFAOYSA-N -1 0 320.334 -0.330 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000781741093 804535511 /nfs/dbraw/zinc/53/55/11/804535511.db2.gz HUUBPIFEJJWGDI-UHFFFAOYSA-N -1 0 323.334 -0.088 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)c1cnnn1C)c1ccccc1 ZINC000781742247 804535622 /nfs/dbraw/zinc/53/56/22/804535622.db2.gz SKTWHVCDXUCZIT-UHFFFAOYSA-N -1 0 309.351 -0.244 20 0 DBADRM C[C@@H](C(=O)N(C)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001283604944 804536819 /nfs/dbraw/zinc/53/68/19/804536819.db2.gz YNTLYBFNPFYBQU-MRVPVSSYSA-N -1 0 323.353 -0.093 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)CCO1 ZINC000782044512 804539389 /nfs/dbraw/zinc/53/93/89/804539389.db2.gz ZCJXBYCTQHNEAR-LLVKDONJSA-N -1 0 316.317 -0.078 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000782211449 804541814 /nfs/dbraw/zinc/54/18/14/804541814.db2.gz JPSMLCLDFUDJBS-SSDOTTSWSA-N -1 0 301.324 -0.436 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC001324998419 807023001 /nfs/dbraw/zinc/02/30/01/807023001.db2.gz CUZVUZINQPFANA-ZJUUUORDSA-N -1 0 322.383 -0.847 20 0 DBADRM CCN(CCCNC(=O)c1[nH]nc(C)c1[O-])C(=O)c1nc[nH]n1 ZINC001283709542 804556424 /nfs/dbraw/zinc/55/64/24/804556424.db2.gz WSGZOCKJPGLHGI-UHFFFAOYSA-N -1 0 321.341 -0.176 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)[N-]N2CCCNC2=O)c1 ZINC000783602509 804566817 /nfs/dbraw/zinc/56/68/17/804566817.db2.gz ABPFDYFVBKTABX-UHFFFAOYSA-N -1 0 318.380 -0.284 20 0 DBADRM Cc1cc(C(=O)NN2CCCNC2=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000783599214 804567139 /nfs/dbraw/zinc/56/71/39/804567139.db2.gz BEIRRUWNAUIMPR-UHFFFAOYSA-N -1 0 318.293 -0.195 20 0 DBADRM CC(C)[C@@H](F)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000784484060 804580416 /nfs/dbraw/zinc/58/04/16/804580416.db2.gz GVWCRNHXGYPKCP-SECBINFHSA-N -1 0 305.331 -0.077 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)n1 ZINC000784524989 804582011 /nfs/dbraw/zinc/58/20/11/804582011.db2.gz MVCRRBZNDADNKD-UHFFFAOYSA-N -1 0 314.323 -0.223 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)N2CCCCC2)n1 ZINC000784500347 804582137 /nfs/dbraw/zinc/58/21/37/804582137.db2.gz TXVAEMSKILTCHB-UHFFFAOYSA-N -1 0 316.383 -0.010 20 0 DBADRM COC[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H](C)O1 ZINC000784667052 804584000 /nfs/dbraw/zinc/58/40/00/804584000.db2.gz DJNQYJWVRXMESN-VHSXEESVSA-N -1 0 321.337 -0.667 20 0 DBADRM NC(=O)C1=NO[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000784726220 804585321 /nfs/dbraw/zinc/58/53/21/804585321.db2.gz DGRCICBIXMJBJQ-ZCFIWIBFSA-N -1 0 319.289 -0.127 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)[N-]N2CCCNC2=O)o1 ZINC000784723937 804585400 /nfs/dbraw/zinc/58/54/00/804585400.db2.gz KTBHKBZKDKPBIP-UHFFFAOYSA-N -1 0 303.296 -0.325 20 0 DBADRM CS(=O)(=O)[N-]C(=O)COCCNC(=O)c1ccccc1 ZINC000784815750 804588447 /nfs/dbraw/zinc/58/84/47/804588447.db2.gz QSJWUSUUNFQNLS-UHFFFAOYSA-N -1 0 300.336 -0.491 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000785369295 804597306 /nfs/dbraw/zinc/59/73/06/804597306.db2.gz UHGVHTNSVDNWPD-UHFFFAOYSA-N -1 0 315.351 -0.139 20 0 DBADRM COc1ccc(Cl)c(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC000785383349 804597398 /nfs/dbraw/zinc/59/73/98/804597398.db2.gz HRXDLOGFGHADBO-UHFFFAOYSA-N -1 0 301.686 -0.180 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1c(F)cccc1-n1cccn1 ZINC000785390130 804598502 /nfs/dbraw/zinc/59/85/02/804598502.db2.gz XWURYJYAXXTXLH-UHFFFAOYSA-N -1 0 321.268 -0.517 20 0 DBADRM O=C(c1nc[nH]n1)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001035823339 815028994 /nfs/dbraw/zinc/02/89/94/815028994.db2.gz HTTWQORJSDYPMM-UHFFFAOYSA-N -1 0 318.341 -0.633 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCc1cn2ccccc2n1 ZINC000786157566 804611281 /nfs/dbraw/zinc/61/12/81/804611281.db2.gz VSEPNSNNNCFIND-UHFFFAOYSA-N -1 0 306.322 -0.313 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000786459857 804615072 /nfs/dbraw/zinc/61/50/72/804615072.db2.gz SNHSONHZYIGROB-GFCCVEGCSA-N -1 0 317.386 -0.846 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC000786943675 804624997 /nfs/dbraw/zinc/62/49/97/804624997.db2.gz CHMSXPIFWMBWQA-GUBZILKMSA-N -1 0 306.384 -0.241 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000786943683 804625437 /nfs/dbraw/zinc/62/54/37/804625437.db2.gz CHMSXPIFWMBWQA-LPEHRKFASA-N -1 0 306.384 -0.241 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000786950495 804626502 /nfs/dbraw/zinc/62/65/02/804626502.db2.gz MLOOILIEIWMMAN-NXEZZACHSA-N -1 0 306.384 -0.239 20 0 DBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)[N-]OCCO ZINC000787295480 804632226 /nfs/dbraw/zinc/63/22/26/804632226.db2.gz HMUSLNGPZMDYLT-QMMMGPOBSA-N -1 0 300.402 -0.913 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000787622773 804636713 /nfs/dbraw/zinc/63/67/13/804636713.db2.gz PEGGYYPXXVNEBW-UHFFFAOYSA-N -1 0 324.337 -0.988 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1cccnc1N(C)C ZINC000787633809 804637916 /nfs/dbraw/zinc/63/79/16/804637916.db2.gz WYNKGCDDFVERDU-UHFFFAOYSA-N -1 0 310.354 -0.152 20 0 DBADRM CC(=O)C[C@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC000787934594 804647204 /nfs/dbraw/zinc/64/72/04/804647204.db2.gz JEBGXPPGXMYAFH-JTQLQIEISA-N -1 0 308.356 -0.636 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1ccc2nncn2c1 ZINC000788090982 804649169 /nfs/dbraw/zinc/64/91/69/804649169.db2.gz TXPNMRIYXAAACM-UHFFFAOYSA-N -1 0 322.306 -0.273 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)[N-]OC[C@H]1CCOC1 ZINC000788116543 804650664 /nfs/dbraw/zinc/65/06/64/804650664.db2.gz OITZYCLYFRXANF-NSHDSACASA-N -1 0 324.399 -0.585 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)[N-]OC[C@H]1CCOC1 ZINC000788118665 804650921 /nfs/dbraw/zinc/65/09/21/804650921.db2.gz PBJOPYSNAWMZNE-JTQLQIEISA-N -1 0 310.372 -0.973 20 0 DBADRM CNC(=O)[C@@H](O)CNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000788187649 804654220 /nfs/dbraw/zinc/65/42/20/804654220.db2.gz ZTYBXEIIRRPUCP-JTQLQIEISA-N -1 0 322.296 -0.446 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000788307729 804655295 /nfs/dbraw/zinc/65/52/95/804655295.db2.gz MJOWNGMNZRFIDY-UHFFFAOYSA-N -1 0 323.382 -0.315 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC(=O)N(CC3CC3)C2)c[nH]1 ZINC000788402737 804661766 /nfs/dbraw/zinc/66/17/66/804661766.db2.gz AGNQFTDZVYGGBQ-UHFFFAOYSA-N -1 0 313.335 -0.087 20 0 DBADRM CC/C(C)=C/C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001284229732 804663215 /nfs/dbraw/zinc/66/32/15/804663215.db2.gz FUVIAKOTLYXURO-WVXIBAHESA-N -1 0 309.326 -0.126 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000788646204 804665209 /nfs/dbraw/zinc/66/52/09/804665209.db2.gz JYOVMSINUIBGJQ-UHFFFAOYSA-N -1 0 322.365 -0.139 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1ncn(C)c1Cl)CC(=O)[O-] ZINC000788694737 804666376 /nfs/dbraw/zinc/66/63/76/804666376.db2.gz QOUFMXRLZBDGKH-ZCFIWIBFSA-N -1 0 311.747 -0.159 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1ccn(CC(F)F)n1 ZINC000789434358 804673436 /nfs/dbraw/zinc/67/34/36/804673436.db2.gz CPMLQFWZDZXJIS-SSDOTTSWSA-N -1 0 309.294 -0.003 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1ccnn1CC(F)F ZINC000789436785 804673757 /nfs/dbraw/zinc/67/37/57/804673757.db2.gz XWEKLTOAZRPTTC-SSDOTTSWSA-N -1 0 309.294 -0.003 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)c1 ZINC000789804487 804676417 /nfs/dbraw/zinc/67/64/17/804676417.db2.gz QSJBZTGUHSECHP-UHFFFAOYSA-N -1 0 312.355 -0.049 20 0 DBADRM Cn1nnc2cc(C(=O)[N-]S(=O)(=O)c3cc[nH]n3)ccc21 ZINC000789791704 804676672 /nfs/dbraw/zinc/67/66/72/804676672.db2.gz RVRPPMRNFLLGCW-UHFFFAOYSA-N -1 0 306.307 -0.190 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000789825088 804677689 /nfs/dbraw/zinc/67/76/89/804677689.db2.gz HGWAXCHLCUVZSC-UHFFFAOYSA-N -1 0 306.282 -0.705 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000789825233 804677838 /nfs/dbraw/zinc/67/78/38/804677838.db2.gz DOIQUPZIOAWEFA-UHFFFAOYSA-N -1 0 319.321 -0.041 20 0 DBADRM CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1n[nH]c(=O)[n-]1 ZINC000789922215 804679674 /nfs/dbraw/zinc/67/96/74/804679674.db2.gz VYODBFKLSSFTIU-VIFPVBQESA-N -1 0 305.294 -0.191 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)CCN3C(=O)CCC3=O)ccnc1-2 ZINC000791165843 804699175 /nfs/dbraw/zinc/69/91/75/804699175.db2.gz FRQJVNSVLSZXHG-UHFFFAOYSA-N -1 0 301.306 -0.181 20 0 DBADRM O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc(=O)[nH][n-]1 ZINC000791325428 804701703 /nfs/dbraw/zinc/70/17/03/804701703.db2.gz FMKXZGYTWWCECP-UHFFFAOYSA-N -1 0 316.317 -0.027 20 0 DBADRM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cc(=O)[nH][n-]1 ZINC000791345707 804703098 /nfs/dbraw/zinc/70/30/98/804703098.db2.gz BMDPWVVCXBVFJK-MRVPVSSYSA-N -1 0 324.362 -0.271 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000791330044 804703275 /nfs/dbraw/zinc/70/32/75/804703275.db2.gz KDXHLUSVDGGVLC-LBPRGKRZSA-N -1 0 300.318 -0.048 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCCS1(=O)=O ZINC000791799365 804708602 /nfs/dbraw/zinc/70/86/02/804708602.db2.gz BYZOTIJPOWUVCK-SECBINFHSA-N -1 0 312.413 -0.345 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)c1ncccc1F)C(=O)C1CC1 ZINC000791935977 804712124 /nfs/dbraw/zinc/71/21/24/804712124.db2.gz YFLNRYAEYZCRQA-UHFFFAOYSA-N -1 0 315.326 -0.106 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2ncccc2F)CCC1 ZINC000791935879 804712478 /nfs/dbraw/zinc/71/24/78/804712478.db2.gz SXTDXANMFYXGIE-UHFFFAOYSA-N -1 0 315.326 -0.058 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)COCc1ccnn1C ZINC000793139555 804724282 /nfs/dbraw/zinc/72/42/82/804724282.db2.gz BVSVCBBMAFJCGM-UHFFFAOYSA-N -1 0 305.356 -0.581 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CC1OCCCO1 ZINC000793145413 804724622 /nfs/dbraw/zinc/72/46/22/804724622.db2.gz AXOWVASLCKTGAH-UHFFFAOYSA-N -1 0 309.340 -0.461 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2cnn(C)n2)c1Cl ZINC000793128014 804725158 /nfs/dbraw/zinc/72/51/58/804725158.db2.gz UEFAZLJWUKZGNU-UHFFFAOYSA-N -1 0 304.719 -0.679 20 0 DBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000793162705 804725897 /nfs/dbraw/zinc/72/58/97/804725897.db2.gz MJLMJZDDQOLOHO-UHFFFAOYSA-N -1 0 315.273 -0.055 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N(CCO)CC(F)F ZINC000794045531 804743442 /nfs/dbraw/zinc/74/34/42/804743442.db2.gz LTCOSQZLVGWPGZ-UHFFFAOYSA-N -1 0 301.253 -0.843 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCN1CC=CCC1 ZINC000794114013 804744547 /nfs/dbraw/zinc/74/45/47/804744547.db2.gz CDNJHFNTJDSPIT-UHFFFAOYSA-N -1 0 302.338 -0.551 20 0 DBADRM CSCCO[N-]C(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000794194397 804744761 /nfs/dbraw/zinc/74/47/61/804744761.db2.gz BRROBUBVIQFTOS-SNVBAGLBSA-N -1 0 303.384 -0.476 20 0 DBADRM CSCCO[N-]C(=O)CSCC(=O)N1CCOCC1 ZINC000794180966 804745164 /nfs/dbraw/zinc/74/51/64/804745164.db2.gz NZMKLFZPAMRDND-UHFFFAOYSA-N -1 0 308.425 -0.011 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N[C@@H](CC1CCC1)C(=O)[O-] ZINC000794915169 804752732 /nfs/dbraw/zinc/75/27/32/804752732.db2.gz RXNYGNZXPMKIJW-VIFPVBQESA-N -1 0 313.397 -0.406 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCc1ccc(C)n(C)c1=O ZINC001324542161 806983944 /nfs/dbraw/zinc/98/39/44/806983944.db2.gz VWFUNCRJTKMOHK-UHFFFAOYSA-N -1 0 313.379 -0.279 20 0 DBADRM CC(C)=CC(=O)NC[C@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001284658795 804754901 /nfs/dbraw/zinc/75/49/01/804754901.db2.gz IVKWLHNHDUGBQL-SECBINFHSA-N -1 0 321.337 -0.030 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]OCCOC(C)C ZINC000795064144 804755509 /nfs/dbraw/zinc/75/55/09/804755509.db2.gz GJUJOXVOEYQODZ-GFCCVEGCSA-N -1 0 315.370 -0.414 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)CCN2CCOC2=O)[n-]1 ZINC000795469480 804760625 /nfs/dbraw/zinc/76/06/25/804760625.db2.gz NWUUTNUKOYZLPQ-UHFFFAOYSA-N -1 0 303.296 -0.578 20 0 DBADRM Nc1nnc(S(=O)(=O)CCC[N-]C(=O)C(F)(F)F)s1 ZINC000795449318 804761041 /nfs/dbraw/zinc/76/10/41/804761041.db2.gz IWZWCMNTKHOUEI-UHFFFAOYSA-N -1 0 318.302 -0.037 20 0 DBADRM CCOC(=O)C1(COC)CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000796224268 804770451 /nfs/dbraw/zinc/77/04/51/804770451.db2.gz XTTRRCCRDMPHCG-UHFFFAOYSA-N -1 0 311.338 -0.319 20 0 DBADRM Cn1cc(C(=O)CCC(=O)[N-]S(=O)(=O)N2CCCC2)cn1 ZINC000796648351 804773091 /nfs/dbraw/zinc/77/30/91/804773091.db2.gz FWBHUCRKYHTANL-UHFFFAOYSA-N -1 0 314.367 -0.160 20 0 DBADRM O=C(CCn1cnccc1=O)[N-]S(=O)(=O)N1CCCC1 ZINC000796787308 804774041 /nfs/dbraw/zinc/77/40/41/804774041.db2.gz YPDKEKYUYTYYPZ-UHFFFAOYSA-N -1 0 300.340 -0.910 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000796713226 804774053 /nfs/dbraw/zinc/77/40/53/804774053.db2.gz QZGXVDJXGRFDSW-UHFFFAOYSA-N -1 0 303.315 -0.050 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCc1cnccn1 ZINC000796761591 804774195 /nfs/dbraw/zinc/77/41/95/804774195.db2.gz NSOUMSVZJIJIJI-UHFFFAOYSA-N -1 0 302.356 -0.652 20 0 DBADRM CSc1c(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cnn1C ZINC000796874955 804774632 /nfs/dbraw/zinc/77/46/32/804774632.db2.gz RBCOMISQMQXNDY-UHFFFAOYSA-N -1 0 301.353 -0.016 20 0 DBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)CCn2cnccc2=O)c1 ZINC000796881078 804774754 /nfs/dbraw/zinc/77/47/54/804774754.db2.gz BLBVAPSBZFZLRM-UHFFFAOYSA-N -1 0 322.346 -0.158 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)c1ccnn1CC(F)F ZINC000796879363 804774779 /nfs/dbraw/zinc/77/47/79/804774779.db2.gz VRICXUHQXLDTJC-UHFFFAOYSA-N -1 0 305.266 -0.010 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)s1 ZINC000796876185 804774824 /nfs/dbraw/zinc/77/48/24/804774824.db2.gz UNFJCDOTMAMVGF-UHFFFAOYSA-N -1 0 300.321 -0.311 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)C1 ZINC000796873144 804774878 /nfs/dbraw/zinc/77/48/78/804774878.db2.gz JZCXFTTXPBVUFB-SFYZADRCSA-N -1 0 300.340 -0.494 20 0 DBADRM O=C(CN1Cc2ccccc2C1=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796871903 804774892 /nfs/dbraw/zinc/77/48/92/804774892.db2.gz KPUZCXOHTRBWHQ-UHFFFAOYSA-N -1 0 320.330 -0.129 20 0 DBADRM Cc1cnc(COCC(=O)[N-]S(=O)(=O)N2CCCC2)o1 ZINC000796875258 804774973 /nfs/dbraw/zinc/77/49/73/804774973.db2.gz WWXLMXYUZUKMPF-UHFFFAOYSA-N -1 0 303.340 -0.044 20 0 DBADRM Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796873346 804775083 /nfs/dbraw/zinc/77/50/83/804775083.db2.gz KVCDGSVXYKEZRO-UHFFFAOYSA-N -1 0 306.307 -0.120 20 0 DBADRM CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796868138 804775203 /nfs/dbraw/zinc/77/52/03/804775203.db2.gz GEKFYWAZFJYJEL-UHFFFAOYSA-N -1 0 302.356 -0.137 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cn(C(C)C)nn1 ZINC000796962025 804776533 /nfs/dbraw/zinc/77/65/33/804776533.db2.gz CPRJXJGCYOTCDP-UHFFFAOYSA-N -1 0 305.360 -0.588 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1cnn2c1OCCC2 ZINC000796997499 804776603 /nfs/dbraw/zinc/77/66/03/804776603.db2.gz ZAJMRPJBLXHXLR-SECBINFHSA-N -1 0 315.351 -0.238 20 0 DBADRM O=C(CCn1cnccc1=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000797053010 804776807 /nfs/dbraw/zinc/77/68/07/804776807.db2.gz DZGXLOIHXARHTE-SNVBAGLBSA-N -1 0 315.351 -0.742 20 0 DBADRM NC(=O)Cc1occc1C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000797045035 804776922 /nfs/dbraw/zinc/77/69/22/804776922.db2.gz PNISYRWIAZHAMV-UHFFFAOYSA-N -1 0 309.303 -0.179 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1nnn(C(C)C)c1C ZINC000797063186 804777558 /nfs/dbraw/zinc/77/75/58/804777558.db2.gz PXLRIGWSVOJWJU-MRVPVSSYSA-N -1 0 318.355 -0.211 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000797131832 804777605 /nfs/dbraw/zinc/77/76/05/804777605.db2.gz YRPZLOMNCXSMHA-ONGXEEELSA-N -1 0 323.415 -0.524 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)[nH]1 ZINC000797170158 804777623 /nfs/dbraw/zinc/77/76/23/804777623.db2.gz NVBPBOWOFSYLDQ-SSDOTTSWSA-N -1 0 304.324 -0.104 20 0 DBADRM COc1cccc(C2(C(=O)[N-]S(=O)(=O)CC(N)=O)CC2)c1 ZINC000797273062 804778520 /nfs/dbraw/zinc/77/85/20/804778520.db2.gz CJLKSUPLRQAMFI-UHFFFAOYSA-N -1 0 312.347 -0.342 20 0 DBADRM O=C(CC1OCCO1)OCCOCC[N-]C(=O)C(F)(F)F ZINC000797239444 804778847 /nfs/dbraw/zinc/77/88/47/804778847.db2.gz YYJMTPLTKKJBAL-UHFFFAOYSA-N -1 0 315.244 -0.012 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000797278218 804779060 /nfs/dbraw/zinc/77/90/60/804779060.db2.gz BTZXWVFXPGKEIS-SFYZADRCSA-N -1 0 315.351 -0.478 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2 ZINC000797280511 804779136 /nfs/dbraw/zinc/77/91/36/804779136.db2.gz JFQNCARIMLTMLX-ZETCQYMHSA-N -1 0 317.323 -0.713 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCc1cnn(C)c1C ZINC000797284591 804779717 /nfs/dbraw/zinc/77/97/17/804779717.db2.gz LAKCELXLRGESGK-VIFPVBQESA-N -1 0 317.367 -0.331 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]1CCCO1 ZINC000797288044 804779742 /nfs/dbraw/zinc/77/97/42/804779742.db2.gz SFTDQOSDXCBQDK-KXUCPTDWSA-N -1 0 323.367 -0.422 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]1CCCO1 ZINC000797288040 804779859 /nfs/dbraw/zinc/77/98/59/804779859.db2.gz SFTDQOSDXCBQDK-GUBZILKMSA-N -1 0 323.367 -0.422 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000797295266 804779877 /nfs/dbraw/zinc/77/98/77/804779877.db2.gz SVOJQTZRCPYYOK-YUMQZZPRSA-N -1 0 318.351 -0.995 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000797285468 804779881 /nfs/dbraw/zinc/77/98/81/804779881.db2.gz OBSBBMMYUPVFCQ-XKSSXDPKSA-N -1 0 322.383 -0.455 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)OC ZINC000797290970 804779947 /nfs/dbraw/zinc/77/99/47/804779947.db2.gz MJUQWBIZNKEDLI-QMMMGPOBSA-N -1 0 324.355 -0.528 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn2ccccc2n1 ZINC000797284878 804779956 /nfs/dbraw/zinc/77/99/56/804779956.db2.gz VOYPCOCUFYERGV-MRVPVSSYSA-N -1 0 311.319 -0.045 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CN(C)[C@@H]1CCSC1 ZINC000797300008 804780384 /nfs/dbraw/zinc/78/03/84/804780384.db2.gz PVAHATIPQQWNGL-DTWKUNHWSA-N -1 0 324.424 -0.569 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CN(C)[C@H]1CCSC1 ZINC000797300007 804780466 /nfs/dbraw/zinc/78/04/66/804780466.db2.gz PVAHATIPQQWNGL-BDAKNGLRSA-N -1 0 324.424 -0.569 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C)[nH]c1=O ZINC000797302929 804780541 /nfs/dbraw/zinc/78/05/41/804780541.db2.gz VTMIJCCWZDEXAZ-ZETCQYMHSA-N -1 0 302.308 -0.283 20 0 DBADRM COCc1cncc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)c1 ZINC000797299975 804780604 /nfs/dbraw/zinc/78/06/04/804780604.db2.gz OZRDBMYQFFMVSP-QMMMGPOBSA-N -1 0 316.335 -0.151 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(OC)n(C)n1 ZINC000797304404 804780618 /nfs/dbraw/zinc/78/06/18/804780618.db2.gz IIXRKJCRCIOTAF-LURJTMIESA-N -1 0 305.312 -0.950 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](OC)c1cnn(C)c1 ZINC000797300314 804780691 /nfs/dbraw/zinc/78/06/91/804780691.db2.gz MKGASMQCFPSDKU-CBAPKCEASA-N -1 0 319.339 -0.885 20 0 DBADRM COCc1ncsc1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000797308373 804781700 /nfs/dbraw/zinc/78/17/00/804781700.db2.gz YLVLCIJGQBWRFA-LURJTMIESA-N -1 0 322.364 -0.089 20 0 DBADRM CCCCC[C@H](NC(=O)NCCNS(C)(=O)=O)C(=O)[O-] ZINC000797706414 804783459 /nfs/dbraw/zinc/78/34/59/804783459.db2.gz XGVBFQJVWLICRL-VIFPVBQESA-N -1 0 309.388 -0.132 20 0 DBADRM CN1N=C(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)CCC1=O ZINC000798135757 804786250 /nfs/dbraw/zinc/78/62/50/804786250.db2.gz RJHGLPMARJRSKU-UHFFFAOYSA-N -1 0 306.326 -0.176 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000798200728 804786947 /nfs/dbraw/zinc/78/69/47/804786947.db2.gz OERJPXSPSCXZEO-SSDOTTSWSA-N -1 0 310.328 -0.870 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2 ZINC000798199942 804787295 /nfs/dbraw/zinc/78/72/95/804787295.db2.gz IEBAHNMPPPVQJG-MRVPVSSYSA-N -1 0 315.351 -0.160 20 0 DBADRM CC/C=C(\C)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001284926788 804800753 /nfs/dbraw/zinc/80/07/53/804800753.db2.gz OXVYLTYRHFSSQB-QPJJXVBHSA-N -1 0 307.310 -0.420 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCc2nn(C)cc21 ZINC000798827967 804802006 /nfs/dbraw/zinc/80/20/06/804802006.db2.gz GXMTWONPOULBNG-SECBINFHSA-N -1 0 301.368 -0.068 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@]1(C)CCC(=O)NC1 ZINC000798830766 804802225 /nfs/dbraw/zinc/80/22/25/804802225.db2.gz VQYYSRUIVXEERH-LBPRGKRZSA-N -1 0 320.367 -0.698 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cnnn2C)cc1 ZINC000798848751 804802278 /nfs/dbraw/zinc/80/22/78/804802278.db2.gz DTSCYJFZXTVCRO-UHFFFAOYSA-N -1 0 323.334 -0.707 20 0 DBADRM C[C@]1(C(=O)[N-]S(=O)(=O)CC(F)(F)F)CCC(=O)NC1 ZINC000798834255 804802343 /nfs/dbraw/zinc/80/23/43/804802343.db2.gz ASSATHOUQZCHFD-QMMMGPOBSA-N -1 0 302.274 -0.089 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@]1(C)CCC(=O)NC1 ZINC000798844408 804802404 /nfs/dbraw/zinc/80/24/04/804802404.db2.gz XPBVBNJVYUEKIK-GFCCVEGCSA-N -1 0 322.383 -0.988 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1)c1cnn(C)c1 ZINC000798851112 804803312 /nfs/dbraw/zinc/80/33/12/804803312.db2.gz VIABZANSASDTSG-GHMZBOCLSA-N -1 0 317.367 -0.267 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC000798999025 804804719 /nfs/dbraw/zinc/80/47/19/804804719.db2.gz DJASMJYMWWJMKD-JGVFFNPUSA-N -1 0 312.288 -0.355 20 0 DBADRM CC(C)=CC(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001284948639 804807376 /nfs/dbraw/zinc/80/73/76/804807376.db2.gz BLBBWWDBBXYGHR-UHFFFAOYSA-N -1 0 309.326 -0.770 20 0 DBADRM COc1ccccc1CO[N-]C(=O)CNC(=O)CNC(C)=O ZINC000799095995 804807349 /nfs/dbraw/zinc/80/73/49/804807349.db2.gz BEOJZLLBKPZHCM-UHFFFAOYSA-N -1 0 309.322 -0.505 20 0 DBADRM NC(=O)NCCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000799634376 804814616 /nfs/dbraw/zinc/81/46/16/804814616.db2.gz WFLRSQJLXPUURR-UHFFFAOYSA-N -1 0 321.362 -0.530 20 0 DBADRM CC(C)n1nccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800548949 804825261 /nfs/dbraw/zinc/82/52/61/804825261.db2.gz CBHFOWDKHBSYCQ-UHFFFAOYSA-N -1 0 302.356 -0.340 20 0 DBADRM COc1nc(C)ccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800549150 804825781 /nfs/dbraw/zinc/82/57/81/804825781.db2.gz GOFCOSGGJZTUNO-UHFFFAOYSA-N -1 0 315.351 -0.406 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H](O)Cc1ccccc1 ZINC000800549762 804825891 /nfs/dbraw/zinc/82/58/91/804825891.db2.gz RASDZKZFPIAAAT-NSHDSACASA-N -1 0 314.363 -0.828 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc2n[nH]cc2c1 ZINC000800551868 804826274 /nfs/dbraw/zinc/82/62/74/804826274.db2.gz UVCGVFVISXYDBM-UHFFFAOYSA-N -1 0 310.335 -0.241 20 0 DBADRM COc1ccnc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000800552488 804826283 /nfs/dbraw/zinc/82/62/83/804826283.db2.gz XQGRDEDTUJAWHM-UHFFFAOYSA-N -1 0 301.324 -0.714 20 0 DBADRM O=C(OCc1n[nH]c(=O)[n-]1)[C@H]1COCCN1CC(F)(F)F ZINC000801347419 804834311 /nfs/dbraw/zinc/83/43/11/804834311.db2.gz LRCXKQMUGXSMLP-ZCFIWIBFSA-N -1 0 310.232 -0.183 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccnc2c1nnn2C ZINC000802083434 804841631 /nfs/dbraw/zinc/84/16/31/804841631.db2.gz KHYPTQIVFRYHIP-ZETCQYMHSA-N -1 0 313.339 -0.542 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1cncc(-n2ccnn2)c1 ZINC000802051730 804841722 /nfs/dbraw/zinc/84/17/22/804841722.db2.gz ASDWATHMEPXWPW-UHFFFAOYSA-N -1 0 322.350 -0.267 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(C)=O ZINC000802162076 804842285 /nfs/dbraw/zinc/84/22/85/804842285.db2.gz HOUJRRNZCYVSIF-BWZBUEFSSA-N -1 0 308.356 -0.845 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC ZINC000802161043 804842413 /nfs/dbraw/zinc/84/24/13/804842413.db2.gz NKOIPPZLWDONHO-HLTSFMKQSA-N -1 0 322.383 -0.455 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C1CN(C(C)=O)C1 ZINC000802152777 804842832 /nfs/dbraw/zinc/84/28/32/804842832.db2.gz ZLFGWTKTCJFHAQ-YUMQZZPRSA-N -1 0 320.367 -0.892 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCNC(=O)C1 ZINC000802159406 804842858 /nfs/dbraw/zinc/84/28/58/804842858.db2.gz BYJOTMQSQHMHIV-HLTSFMKQSA-N -1 0 320.367 -0.844 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)COCc1cc(C)no1 ZINC000802083513 804842872 /nfs/dbraw/zinc/84/28/72/804842872.db2.gz LFDPLQCXHQIAJE-VIFPVBQESA-N -1 0 306.340 -0.019 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)COCc1cc(C)no1 ZINC000802108342 804842879 /nfs/dbraw/zinc/84/28/79/804842879.db2.gz UWRJRQTYKVVBAP-UHFFFAOYSA-N -1 0 321.355 -0.561 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cncc(-n2ccnn2)c1 ZINC000802094865 804842969 /nfs/dbraw/zinc/84/29/69/804842969.db2.gz HYDCNEPSXYQSNM-UHFFFAOYSA-N -1 0 310.339 -0.411 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1COCCO1 ZINC000802165195 804843279 /nfs/dbraw/zinc/84/32/79/804843279.db2.gz RCNKZZXPJXLOLI-HRDYMLBCSA-N -1 0 309.340 -0.955 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C1=O ZINC000802165061 804843619 /nfs/dbraw/zinc/84/36/19/804843619.db2.gz BCCRHCPELBOBDN-HRDYMLBCSA-N -1 0 320.367 -0.892 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccnn1C ZINC000802167911 804843670 /nfs/dbraw/zinc/84/36/70/804843670.db2.gz QZYHPCYSEATFHQ-SFYZADRCSA-N -1 0 303.340 -0.323 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C1=O ZINC000802165065 804843832 /nfs/dbraw/zinc/84/38/32/804843832.db2.gz BCCRHCPELBOBDN-IWSPIJDZSA-N -1 0 320.367 -0.892 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc(Cl)nc1 ZINC000802210847 804844148 /nfs/dbraw/zinc/84/41/48/804844148.db2.gz PYIQUZVTPFCMIJ-UHFFFAOYSA-N -1 0 301.715 -0.018 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000802210104 804844592 /nfs/dbraw/zinc/84/45/92/804844592.db2.gz BLVODAPWLYAOOU-QMMMGPOBSA-N -1 0 312.351 -0.745 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccnc2c1nnn2C ZINC000802228233 804844746 /nfs/dbraw/zinc/84/47/46/804844746.db2.gz HZLMSCDOGJSQEP-ZETCQYMHSA-N -1 0 313.339 -0.542 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000802790343 804847617 /nfs/dbraw/zinc/84/76/17/804847617.db2.gz CTTZDIDRGPYGGJ-XVKPBYJWSA-N -1 0 317.371 -0.829 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)COCc1nnc(C)s1 ZINC000802816244 804848174 /nfs/dbraw/zinc/84/81/74/804848174.db2.gz SVJOHLRSQNOQNH-SSDOTTSWSA-N -1 0 323.396 -0.156 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)co1 ZINC000803004981 804848986 /nfs/dbraw/zinc/84/89/86/804848986.db2.gz IXHJTKVDVOLJSU-MRVPVSSYSA-N -1 0 316.335 -0.135 20 0 DBADRM O=C(Cn1ccccc1=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000802999142 804849231 /nfs/dbraw/zinc/84/92/31/804849231.db2.gz GJXJJKJJZIDLPJ-NSHDSACASA-N -1 0 314.363 -0.279 20 0 DBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)CC1 ZINC000803007246 804849412 /nfs/dbraw/zinc/84/94/12/804849412.db2.gz ZIVKCUROIUIHBM-SECBINFHSA-N -1 0 305.352 -0.188 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC1CCN(CC(F)F)CC1 ZINC000803649565 804856018 /nfs/dbraw/zinc/85/60/18/804856018.db2.gz HJZVIZOGIVJSOB-UHFFFAOYSA-N -1 0 309.313 -0.474 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCCN(C(=O)OC)C1 ZINC000804015251 804861472 /nfs/dbraw/zinc/86/14/72/804861472.db2.gz YDIXVVZRAURNAF-SNVBAGLBSA-N -1 0 317.342 -0.582 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NC[C@H](C)CN1CCOCC1 ZINC000804021487 804862186 /nfs/dbraw/zinc/86/21/86/804862186.db2.gz CGJVQXZFYGECQX-NSHDSACASA-N -1 0 319.427 -0.518 20 0 DBADRM COCCCO[N-]C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000805041977 804882864 /nfs/dbraw/zinc/88/28/64/804882864.db2.gz QAOLXUORHAFXKH-UHFFFAOYSA-N -1 0 317.367 -0.214 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cn1 ZINC000805058532 804884077 /nfs/dbraw/zinc/88/40/77/804884077.db2.gz VBUGLLIPCATWQE-UHFFFAOYSA-N -1 0 313.339 -0.765 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC/C=C\CNC(=O)C1CC1 ZINC001285449939 804886634 /nfs/dbraw/zinc/88/66/34/804886634.db2.gz FLWQZNHHQWEOGY-UPHRSURJSA-N -1 0 323.353 -0.332 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cccc2c1CNC2=O ZINC000805235307 804887341 /nfs/dbraw/zinc/88/73/41/804887341.db2.gz JWWDIVOVCJTXAZ-UHFFFAOYSA-N -1 0 324.300 -0.047 20 0 DBADRM C[C@H](OCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1)c1nccn1C ZINC000805882589 804905071 /nfs/dbraw/zinc/90/50/71/804905071.db2.gz ZJZZBANFGSOMDD-UWVGGRQHSA-N -1 0 317.367 -0.267 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CO[C@H](C)c1nccn1C ZINC000805881668 804905218 /nfs/dbraw/zinc/90/52/18/804905218.db2.gz FNHYWXRHJDBUNZ-VHSXEESVSA-N -1 0 319.383 -0.021 20 0 DBADRM CCOC(=O)C(C)(C)CC(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000805923937 804905301 /nfs/dbraw/zinc/90/53/01/804905301.db2.gz BBMXPCMDOLOINU-UHFFFAOYSA-N -1 0 318.355 -0.401 20 0 DBADRM C/C=C(\C)C(=O)NC/C=C/CNC(=O)c1cnc([O-])n(C)c1=O ZINC001285517272 804905369 /nfs/dbraw/zinc/90/53/69/804905369.db2.gz HOOGBAWWRPRLSH-UVJWVVOVSA-N -1 0 320.349 -0.146 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000806684225 804921236 /nfs/dbraw/zinc/92/12/36/804921236.db2.gz GDMJEINZLHCFPA-JTQLQIEISA-N -1 0 302.327 -0.518 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@H](C)CC1(C)OCCO1 ZINC000807417102 804936104 /nfs/dbraw/zinc/93/61/04/804936104.db2.gz HGWLHEHGWMUIDR-SNVBAGLBSA-N -1 0 304.343 -0.414 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1ccc(C(N)=O)cc1F ZINC000807436480 804936258 /nfs/dbraw/zinc/93/62/58/804936258.db2.gz RNQCDRAYWQZLNK-UHFFFAOYSA-N -1 0 313.285 -0.053 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000807690268 804939733 /nfs/dbraw/zinc/93/97/33/804939733.db2.gz BGMZGAPGOPEBLJ-GFCCVEGCSA-N -1 0 322.365 -0.139 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001285719974 804952296 /nfs/dbraw/zinc/95/22/96/804952296.db2.gz KVDSIXXVUNMQCQ-QRJSTWQJSA-N -1 0 308.338 -0.313 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cn(C)cn2)C1=O ZINC000808309905 804956895 /nfs/dbraw/zinc/95/68/95/804956895.db2.gz IUDMHAAQCMRGAK-SNVBAGLBSA-N -1 0 301.328 -0.666 20 0 DBADRM Cn1nncc1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000808564890 804961618 /nfs/dbraw/zinc/96/16/18/804961618.db2.gz LGPJMRINAPBONE-UHFFFAOYSA-N -1 0 306.311 -0.408 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CCO1 ZINC000808776862 804964782 /nfs/dbraw/zinc/96/47/82/804964782.db2.gz DQXFYPTXXGTGOY-WDEREUQCSA-N -1 0 309.370 -0.063 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)nn1 ZINC000808981325 804966487 /nfs/dbraw/zinc/96/64/87/804966487.db2.gz JMLIAKJNPFVLQH-UHFFFAOYSA-N -1 0 304.719 -0.679 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)Cn2cc(Cl)cn2)cn1 ZINC000808978687 804966675 /nfs/dbraw/zinc/96/66/75/804966675.db2.gz PNUOMSINBQVXGO-UHFFFAOYSA-N -1 0 303.731 -0.225 20 0 DBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000808964810 804966717 /nfs/dbraw/zinc/96/67/17/804966717.db2.gz CKNQFKOAQVRICG-UHFFFAOYSA-N -1 0 323.305 -0.275 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC(=O)N2)cn1 ZINC000808991126 804967559 /nfs/dbraw/zinc/96/75/59/804967559.db2.gz SEKMFBNGFLDPLS-VIFPVBQESA-N -1 0 314.367 -0.233 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)Cn1cc(Cl)cn1 ZINC000809002682 804967584 /nfs/dbraw/zinc/96/75/84/804967584.db2.gz JPQVDRSLBRXJMS-UHFFFAOYSA-N -1 0 304.719 -0.830 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(=O)N1 ZINC000808999827 804967589 /nfs/dbraw/zinc/96/75/89/804967589.db2.gz IKYUTQFMJLFEAN-JTQLQIEISA-N -1 0 306.384 -0.082 20 0 DBADRM O=C(Cn1cc(Cl)cn1)[N-]S(=O)(=O)c1cnccn1 ZINC000808993361 804967644 /nfs/dbraw/zinc/96/76/44/804967644.db2.gz UQTDWGVUYGPDPQ-UHFFFAOYSA-N -1 0 301.715 -0.168 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2cn(C)nn2)c1 ZINC000808998280 804967929 /nfs/dbraw/zinc/96/79/29/804967929.db2.gz CTOZTFKKOHBMCL-UHFFFAOYSA-N -1 0 312.355 -0.214 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)/C=C\c1cnn(C)c1 ZINC000809034680 804968511 /nfs/dbraw/zinc/96/85/11/804968511.db2.gz MYWNWCNUKSSANQ-PLNGDYQASA-N -1 0 309.351 -0.020 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C)CCC1 ZINC000809031087 804968837 /nfs/dbraw/zinc/96/88/37/804968837.db2.gz UGNHGQXXNACKAW-UHFFFAOYSA-N -1 0 314.367 -0.550 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000809032285 804969176 /nfs/dbraw/zinc/96/91/76/804969176.db2.gz UGKRUEPPALEQKR-UHFFFAOYSA-N -1 0 302.356 -0.550 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1 ZINC000809035116 804969823 /nfs/dbraw/zinc/96/98/23/804969823.db2.gz MAEYOTWIPRODCE-UHFFFAOYSA-N -1 0 322.346 -0.054 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C(=O)[N-]OC2CCOCC2)C[N@@H+]1C1CC1 ZINC000809363185 804975616 /nfs/dbraw/zinc/97/56/16/804975616.db2.gz MNQBDRSNLUZCTN-QWRGUYRKSA-N -1 0 311.382 -0.045 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1C[C@H](C)OC1=O ZINC000809382449 804976665 /nfs/dbraw/zinc/97/66/65/804976665.db2.gz ITJHGQQIYCUBHS-WDSKDSINSA-N -1 0 320.348 -0.088 20 0 DBADRM COCCOCCN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000809366605 804977252 /nfs/dbraw/zinc/97/72/52/804977252.db2.gz MQTJVMULSZGRDW-UHFFFAOYSA-N -1 0 309.326 -0.807 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@H](c1ccnn1C)C(C)C ZINC000809794428 804980716 /nfs/dbraw/zinc/98/07/16/804980716.db2.gz XXOSKKDFXRQKGZ-NSHDSACASA-N -1 0 312.370 -0.030 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCC1([S@@](C)=O)CCC1 ZINC000809894475 804983991 /nfs/dbraw/zinc/98/39/91/804983991.db2.gz FKNWUZSXXQCQJV-HXUWFJFHSA-N -1 0 306.384 -0.512 20 0 DBADRM COCCO[N-]C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000810479546 804995036 /nfs/dbraw/zinc/99/50/36/804995036.db2.gz QRWXABGLVWLAHW-UHFFFAOYSA-N -1 0 324.305 -0.063 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000810572516 804995423 /nfs/dbraw/zinc/99/54/23/804995423.db2.gz AROWQTSWJXSVBJ-VIFPVBQESA-N -1 0 315.399 -0.379 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)C1(COC)CCOCC1 ZINC000810578405 804996655 /nfs/dbraw/zinc/99/66/55/804996655.db2.gz DNCMGGIEQIITPD-UHFFFAOYSA-N -1 0 309.384 -0.088 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1nnc2ccccc2n1 ZINC000810585077 804996854 /nfs/dbraw/zinc/99/68/54/804996854.db2.gz KFYUCMUXYBINBN-QMMMGPOBSA-N -1 0 308.319 -0.127 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1nnc2ccccc2n1 ZINC000810585076 804996865 /nfs/dbraw/zinc/99/68/65/804996865.db2.gz KFYUCMUXYBINBN-MRVPVSSYSA-N -1 0 308.319 -0.127 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)c1nnc2ccccc2n1 ZINC000810707239 804998563 /nfs/dbraw/zinc/99/85/63/804998563.db2.gz JECSTZDCCQNURS-UHFFFAOYSA-N -1 0 304.291 -0.133 20 0 DBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000810832804 805000607 /nfs/dbraw/zinc/00/06/07/805000607.db2.gz SWAJJJHDDVNRQB-QMMMGPOBSA-N -1 0 321.355 -0.188 20 0 DBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000811138425 805004922 /nfs/dbraw/zinc/00/49/22/805004922.db2.gz QGOHETSDOZUCGX-QMMMGPOBSA-N -1 0 323.367 -0.169 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)COC[C@@H]2CCCO2)CC1 ZINC000811152127 805004955 /nfs/dbraw/zinc/00/49/55/805004955.db2.gz OZGYTPIKNIQYTK-JTQLQIEISA-N -1 0 307.368 -0.193 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CC1OCCCO1 ZINC000811142561 805005196 /nfs/dbraw/zinc/00/51/96/805005196.db2.gz MMCYLFIQGQVJGI-UHFFFAOYSA-N -1 0 323.367 -0.215 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(C(C)=O)C2)CC1 ZINC000811153397 805005217 /nfs/dbraw/zinc/00/52/17/805005217.db2.gz JNCMWZVXHHHMHA-NSHDSACASA-N -1 0 318.395 -0.130 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O)CC1 ZINC000811153771 805005297 /nfs/dbraw/zinc/00/52/97/805005297.db2.gz LDJZTPKBQVDPAJ-UHFFFAOYSA-N -1 0 313.397 -0.564 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C ZINC000811141446 805005523 /nfs/dbraw/zinc/00/55/23/805005523.db2.gz JZHQTTKFIVXRLQ-QMMMGPOBSA-N -1 0 320.367 -0.748 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cc(OC)n(C)n2)CC1 ZINC000811157314 805005649 /nfs/dbraw/zinc/00/56/49/805005649.db2.gz GNILVEJRLNASJY-UHFFFAOYSA-N -1 0 303.340 -0.333 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)C1(COC)CC1 ZINC000811157084 805005932 /nfs/dbraw/zinc/00/59/32/805005932.db2.gz VRMWMLJFPNMART-UHFFFAOYSA-N -1 0 306.384 -0.082 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)COc2cc(C)on2)CC1 ZINC000811158077 805006132 /nfs/dbraw/zinc/00/61/32/805006132.db2.gz CANFCKKICNACKL-UHFFFAOYSA-N -1 0 304.324 -0.013 20 0 DBADRM CCOC[C@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC000811673807 805012313 /nfs/dbraw/zinc/01/23/13/805012313.db2.gz PJIDSGJPGCDQSO-JTQLQIEISA-N -1 0 310.372 -0.579 20 0 DBADRM O=C(NC[C@@H]1CCCN(C(=O)c2cc(=O)[nH][n-]2)C1)C(F)(F)F ZINC000812276087 805016890 /nfs/dbraw/zinc/01/68/90/805016890.db2.gz HRYJSQDKFVTMDL-ZETCQYMHSA-N -1 0 320.271 -0.221 20 0 DBADRM CC(C)OCCO[N-]C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000812802820 805021395 /nfs/dbraw/zinc/02/13/95/805021395.db2.gz JLMWMKXMWZYWNJ-NSHDSACASA-N -1 0 308.400 -0.422 20 0 DBADRM CNC(=O)OC[C@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000813725881 805033085 /nfs/dbraw/zinc/03/30/85/805033085.db2.gz PBUVFYDFCHMOEX-SSDOTTSWSA-N -1 0 311.298 -0.367 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C2CC2)CC1 ZINC000813950555 805036716 /nfs/dbraw/zinc/03/67/16/805036716.db2.gz VWURXPVNBUGRJW-NEPJUHHUSA-N -1 0 315.395 -0.442 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CC23CCC3)CC1 ZINC000813949279 805036766 /nfs/dbraw/zinc/03/67/66/805036766.db2.gz RHZIZFCZLBPNCU-LLVKDONJSA-N -1 0 315.395 -0.298 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCO2)CC1 ZINC000813947012 805036838 /nfs/dbraw/zinc/03/68/38/805036838.db2.gz WAFYOYHFHCIXRU-NSHDSACASA-N -1 0 319.383 -0.919 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CC2)CC1 ZINC000813948918 805037106 /nfs/dbraw/zinc/03/71/06/805037106.db2.gz MTNOZHOWOBTQSU-JTQLQIEISA-N -1 0 317.411 -0.052 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C2CC2)CC1 ZINC000813950557 805037126 /nfs/dbraw/zinc/03/71/26/805037126.db2.gz VWURXPVNBUGRJW-RYUDHWBXSA-N -1 0 315.395 -0.442 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2ccc3nncn3c2)cnn1C ZINC000813956657 805037344 /nfs/dbraw/zinc/03/73/44/805037344.db2.gz RBVHFYQNCVOOMD-UHFFFAOYSA-N -1 0 320.334 -0.110 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1c[nH]c(C(N)=O)c1 ZINC000813985700 805037760 /nfs/dbraw/zinc/03/77/60/805037760.db2.gz LPXFTQSNRAYWBF-UHFFFAOYSA-N -1 0 311.323 -0.726 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000813952207 805038039 /nfs/dbraw/zinc/03/80/39/805038039.db2.gz FGLSEQNHHIDDLW-UHFFFAOYSA-N -1 0 302.356 -0.550 20 0 DBADRM CCc1nc(C)c(C(=O)[N-]S(=O)(=O)N2CCOCC2)o1 ZINC000815962949 805062320 /nfs/dbraw/zinc/06/23/20/805062320.db2.gz HRDNBYYUNHVMCV-UHFFFAOYSA-N -1 0 303.340 -0.148 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)n1C ZINC000815948137 805062343 /nfs/dbraw/zinc/06/23/43/805062343.db2.gz AAUXJCJJLIAGHG-QMMMGPOBSA-N -1 0 316.335 -0.340 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)n1C ZINC000815948136 805062705 /nfs/dbraw/zinc/06/27/05/805062705.db2.gz AAUXJCJJLIAGHG-MRVPVSSYSA-N -1 0 316.335 -0.340 20 0 DBADRM Cn1cnnc1COCC(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000815947328 805062714 /nfs/dbraw/zinc/06/27/14/805062714.db2.gz XQGABYCBPPZIKG-UHFFFAOYSA-N -1 0 304.372 -0.176 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)n1C ZINC000815945238 805062742 /nfs/dbraw/zinc/06/27/42/805062742.db2.gz ZBHORYBMWCOLHU-UHFFFAOYSA-N -1 0 318.351 -0.092 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CN1CCCCC1=O ZINC000816015831 805064336 /nfs/dbraw/zinc/06/43/36/805064336.db2.gz WYJNOMZBCVBTJR-QMMMGPOBSA-N -1 0 306.340 -0.994 20 0 DBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)c2cc[nH]n2)c(Cl)n1 ZINC000816036484 805064897 /nfs/dbraw/zinc/06/48/97/805064897.db2.gz NGZDZEGXGMTHCX-UHFFFAOYSA-N -1 0 303.731 -0.156 20 0 DBADRM CO[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000816035027 805064954 /nfs/dbraw/zinc/06/49/54/805064954.db2.gz ZLEYEQAOVMIMFS-BDAKNGLRSA-N -1 0 302.356 -0.175 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)c2c(C)onc2N)n1 ZINC000816069642 805065863 /nfs/dbraw/zinc/06/58/63/805065863.db2.gz QXLVMLYFVQWABK-UHFFFAOYSA-N -1 0 300.300 -0.705 20 0 DBADRM CC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816202595 805066109 /nfs/dbraw/zinc/06/61/09/805066109.db2.gz ZCXQMFPIKGQAQM-QMMMGPOBSA-N -1 0 303.340 -0.105 20 0 DBADRM CN(CC(=O)[N-]OCC(C)(C)O)S(=O)(=O)c1cccnc1 ZINC000816383352 805070024 /nfs/dbraw/zinc/07/00/24/805070024.db2.gz PCWQDPRRNVWIBK-UHFFFAOYSA-N -1 0 317.367 -0.479 20 0 DBADRM CN1CC[C@H](OC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1=O ZINC000816449475 805070116 /nfs/dbraw/zinc/07/01/16/805070116.db2.gz AIRUXJQBKAITLP-IUCAKERBSA-N -1 0 306.384 -0.276 20 0 DBADRM CC1(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)COC1 ZINC000816465399 805070984 /nfs/dbraw/zinc/07/09/84/805070984.db2.gz ZYHVUPRQMZXAPC-SECBINFHSA-N -1 0 315.351 -0.314 20 0 DBADRM Cn1cc(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)c(Cl)n1 ZINC000816449878 805071091 /nfs/dbraw/zinc/07/10/91/805071091.db2.gz JKSLBRSWKZLSLI-UHFFFAOYSA-N -1 0 322.774 -0.802 20 0 DBADRM CCn1c2ccccc2n(CC(=O)Nn2c(=O)[n-][nH]c2=O)c1=O ZINC000816731405 805078454 /nfs/dbraw/zinc/07/84/54/805078454.db2.gz PTIJJIMMVPCSJY-UHFFFAOYSA-N -1 0 318.293 -0.404 20 0 DBADRM O=C(Cn1ccc(=O)c2ccccc21)Nn1c(=O)[n-][nH]c1=O ZINC000816732846 805079856 /nfs/dbraw/zinc/07/98/56/805079856.db2.gz YCDRFEUSYVPFJM-UHFFFAOYSA-N -1 0 301.262 -0.226 20 0 DBADRM O=C(CCN1C(=O)COc2ccccc21)Nn1c(=O)[n-][nH]c1=O ZINC000816733419 805079931 /nfs/dbraw/zinc/07/99/31/805079931.db2.gz VSXMQEHYXLRTCE-UHFFFAOYSA-N -1 0 319.277 -0.425 20 0 DBADRM CCOc1ccc(C(=O)NCC(=O)Nn2c(=O)[n-][nH]c2=O)cc1 ZINC000816733966 805079962 /nfs/dbraw/zinc/07/99/62/805079962.db2.gz TZHGONOUGOCZEZ-UHFFFAOYSA-N -1 0 321.293 -0.412 20 0 DBADRM CC(C)[C@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000816731720 805079992 /nfs/dbraw/zinc/07/99/92/805079992.db2.gz BUOOWXAENDLFFM-KXUCPTDWSA-N -1 0 313.358 -0.107 20 0 DBADRM Cc1ccc(CCC(=O)NCC(=O)Nn2c(=O)[n-][nH]c2=O)cc1 ZINC000816733892 805080092 /nfs/dbraw/zinc/08/00/92/805080092.db2.gz PYLYYBNVODJSTM-UHFFFAOYSA-N -1 0 319.321 -0.183 20 0 DBADRM CN1CCC(=O)Nc2cc(C(=O)Nn3c(=O)[n-][nH]c3=O)ccc21 ZINC000816732303 805080163 /nfs/dbraw/zinc/08/01/63/805080163.db2.gz AZSUBISLMVNSHK-UHFFFAOYSA-N -1 0 318.293 -0.148 20 0 DBADRM CCn1ncn([N-]C(=O)c2cc(OC(F)F)n(C)n2)c1=O ZINC000816735005 805080383 /nfs/dbraw/zinc/08/03/83/805080383.db2.gz OCPLFSQQGPRVDZ-UHFFFAOYSA-N -1 0 302.241 -0.217 20 0 DBADRM O=C(c1ccc2n[nH]nc2c1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001325236874 807053997 /nfs/dbraw/zinc/05/39/97/807053997.db2.gz PTOFIQGQKYUCJX-UHFFFAOYSA-N -1 0 314.309 -0.405 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000817109013 805090471 /nfs/dbraw/zinc/09/04/71/805090471.db2.gz YUSNDMUQIMAOEY-AWEZNQCLSA-N -1 0 313.354 -0.706 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000817109014 805091306 /nfs/dbraw/zinc/09/13/06/805091306.db2.gz YUSNDMUQIMAOEY-CQSZACIVSA-N -1 0 313.354 -0.706 20 0 DBADRM CS[C@@H]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000817116276 805092491 /nfs/dbraw/zinc/09/24/91/805092491.db2.gz RYBCKCFGSUBBJG-AEJSXWLSSA-N -1 0 316.379 -0.301 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@H](O)C12CCCC2 ZINC000817582859 805095090 /nfs/dbraw/zinc/09/50/90/805095090.db2.gz LZDKWKUTSKJCQF-NSHDSACASA-N -1 0 317.349 -0.023 20 0 DBADRM COC(=O)c1[n-][nH]c(=O)c1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000817571168 805095577 /nfs/dbraw/zinc/09/55/77/805095577.db2.gz OCOUXHSPYQAJCH-SNVBAGLBSA-N -1 0 319.273 -0.329 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)C[C@H]2C=CCC2)c1[O-] ZINC001287737184 805107912 /nfs/dbraw/zinc/10/79/12/805107912.db2.gz KCIKSKDPLCBGAW-QWRGUYRKSA-N -1 0 322.365 -0.013 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H](C)NS(C)(=O)=O ZINC000818309078 805109422 /nfs/dbraw/zinc/10/94/22/805109422.db2.gz NEOQBZVKIBWTRH-GZMMTYOYSA-N -1 0 308.356 -0.984 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@H](C)NS(C)(=O)=O ZINC000818309080 805110236 /nfs/dbraw/zinc/11/02/36/805110236.db2.gz NEOQBZVKIBWTRH-KWQFWETISA-N -1 0 308.356 -0.984 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000818325761 805110818 /nfs/dbraw/zinc/11/08/18/805110818.db2.gz QRJSFVFYZYDFKB-KOLCDFICSA-N -1 0 307.368 -0.241 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H](O)C1CCOCC1 ZINC000818310672 805111086 /nfs/dbraw/zinc/11/10/86/805111086.db2.gz JUHCLIPKFJXLDF-SMDDNHRTSA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)COC[C@H]3CCCO3)C2)nn1 ZINC000818316443 805111150 /nfs/dbraw/zinc/11/11/50/805111150.db2.gz DXYDDLQGOKWHJI-GHMZBOCLSA-N -1 0 324.337 -0.055 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CCC[C@]1(COC)C(=O)[O-] ZINC000818309744 805111175 /nfs/dbraw/zinc/11/11/75/805111175.db2.gz DVIFLHMSQBVYQO-NSHDSACASA-N -1 0 308.356 -0.982 20 0 DBADRM C[C@@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H]1C(=O)[O-] ZINC000818324836 805111498 /nfs/dbraw/zinc/11/14/98/805111498.db2.gz AJXXQDYYDRRPJE-KOLCDFICSA-N -1 0 309.322 -0.362 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)CC1 ZINC000884478022 807051687 /nfs/dbraw/zinc/05/16/87/807051687.db2.gz OBBIHEHXHJZPLI-NWBUJAPZSA-N -1 0 322.361 -0.151 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2F)CCO1 ZINC000884478415 807051712 /nfs/dbraw/zinc/05/17/12/807051712.db2.gz AQCZNMDEOANMJZ-IVZWLZJFSA-N -1 0 302.302 -0.305 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCc1ccnn1C)C(=O)[O-] ZINC000818658232 805116444 /nfs/dbraw/zinc/11/64/44/805116444.db2.gz TVVXWONMELOAIF-LLVKDONJSA-N -1 0 324.381 -0.058 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2cccc3c2OCC3)C1 ZINC000819094278 805121122 /nfs/dbraw/zinc/12/11/22/805121122.db2.gz JCCKWTSJQKLHDR-ZDUSSCGKSA-N -1 0 313.331 -0.168 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2cccc3c2OCO3)C1 ZINC000819094098 805121156 /nfs/dbraw/zinc/12/11/56/805121156.db2.gz HHPQCMLVFUDVLF-GFCCVEGCSA-N -1 0 315.303 -0.375 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1C ZINC000819094929 805121557 /nfs/dbraw/zinc/12/15/57/805121557.db2.gz ROYOWEIPGVNTFF-LBPRGKRZSA-N -1 0 317.367 -0.270 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC000819107434 805122452 /nfs/dbraw/zinc/12/24/52/805122452.db2.gz IERWIPUEUMPBLI-LLVKDONJSA-N -1 0 303.340 -0.278 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC000819107435 805122513 /nfs/dbraw/zinc/12/25/13/805122513.db2.gz IERWIPUEUMPBLI-NSHDSACASA-N -1 0 303.340 -0.278 20 0 DBADRM C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H](O)C(F)(F)F ZINC000819565731 805130392 /nfs/dbraw/zinc/13/03/92/805130392.db2.gz KYFDNZKINWMAOL-YLWLKBPMSA-N -1 0 319.243 -0.501 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1=O ZINC000819729463 805133686 /nfs/dbraw/zinc/13/36/86/805133686.db2.gz ZQQIOTOECKBGPA-ZCFIWIBFSA-N -1 0 323.271 -0.293 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cc2c(cn1)OCCO2 ZINC000820048069 805142004 /nfs/dbraw/zinc/14/20/04/805142004.db2.gz JAKAROXOSVVQCO-UHFFFAOYSA-N -1 0 316.335 -0.051 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001287886632 805142562 /nfs/dbraw/zinc/14/25/62/805142562.db2.gz MZSKSBCLNMAASG-YXCTTXFESA-N -1 0 323.353 -0.239 20 0 DBADRM C[C@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)n1cccn1 ZINC000820124101 805144587 /nfs/dbraw/zinc/14/45/87/805144587.db2.gz NWKLNZQJLVZNOM-SNVBAGLBSA-N -1 0 302.356 -0.473 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C[C@H](C)n1cccn1 ZINC000820245262 805149663 /nfs/dbraw/zinc/14/96/63/805149663.db2.gz BQFVAHJHHQYOPK-JTQLQIEISA-N -1 0 304.372 -0.227 20 0 DBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)Nn1c(=O)[n-][nH]c1=O)C2=O ZINC000820282052 805152039 /nfs/dbraw/zinc/15/20/39/805152039.db2.gz IQGXENMLAHJLOZ-UHFFFAOYSA-N -1 0 317.261 -0.636 20 0 DBADRM CCCC(=O)N1CSC[C@@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000820282208 805152064 /nfs/dbraw/zinc/15/20/64/805152064.db2.gz KPCQUDFMYSIYHM-ZCFIWIBFSA-N -1 0 301.328 -0.539 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000820289220 805152219 /nfs/dbraw/zinc/15/22/19/805152219.db2.gz UHQYVCUGNFCEIX-QWWZWVQMSA-N -1 0 309.204 -0.784 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)C[C@H](C)n1cccn1 ZINC000820319568 805153209 /nfs/dbraw/zinc/15/32/09/805153209.db2.gz LOUMHTNPPGGVLZ-NSHDSACASA-N -1 0 319.383 -0.057 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)/C=C\[C@H]1CCCO1 ZINC000820320541 805153355 /nfs/dbraw/zinc/15/33/55/805153355.db2.gz WQARWILIUYKWKZ-DOGVGXBMSA-N -1 0 307.368 -0.169 20 0 DBADRM CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)N=S(C)(C)=O ZINC000820802259 805167048 /nfs/dbraw/zinc/16/70/48/805167048.db2.gz KGEGZVWMVQEQOD-UHFFFAOYSA-N -1 0 324.384 -0.019 20 0 DBADRM CN1CCN(C)[C@@H](C[N-]S(=O)(=O)N=S2(=O)CCCC2)C1 ZINC000820790979 805167178 /nfs/dbraw/zinc/16/71/78/805167178.db2.gz CYDQPXYSESWUON-NSHDSACASA-N -1 0 324.472 -0.672 20 0 DBADRM COc1cc(OC)nc([N-]S(=O)(=O)N=S(C)(C)=O)n1 ZINC000820802345 805167222 /nfs/dbraw/zinc/16/72/22/805167222.db2.gz PEQKVKNLEAOXBL-UHFFFAOYSA-N -1 0 310.357 -0.122 20 0 DBADRM CC(C)(C)C[C@H](O)[C@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000821249526 805176910 /nfs/dbraw/zinc/17/69/10/805176910.db2.gz OTYOIRCTDFCVBP-UWVGGRQHSA-N -1 0 324.399 -0.597 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)CC(C)(C)C)cn1 ZINC000821251974 805177192 /nfs/dbraw/zinc/17/71/92/805177192.db2.gz WUXIEMPUOWAAOK-VHSXEESVSA-N -1 0 319.383 -0.051 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NCC2(CO)COC2)c1 ZINC000821538815 805185805 /nfs/dbraw/zinc/18/58/05/805185805.db2.gz UVFXQYFEUZPELE-UHFFFAOYSA-N -1 0 322.317 -0.623 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)CCC(=O)OC)cn1 ZINC000821598882 805186918 /nfs/dbraw/zinc/18/69/18/805186918.db2.gz WWBMZUFIDVGXOC-UHFFFAOYSA-N -1 0 303.340 -0.084 20 0 DBADRM COCc1nc(C(=O)[N-]S(=O)(=O)CCC(=O)OC)cs1 ZINC000821597207 805186929 /nfs/dbraw/zinc/18/69/29/805186929.db2.gz JCRZOSJDXAPWLN-UHFFFAOYSA-N -1 0 322.364 -0.088 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccnc(N(C)C)c1 ZINC000821597557 805186971 /nfs/dbraw/zinc/18/69/71/805186971.db2.gz ZESDKCVYRQAMCB-UHFFFAOYSA-N -1 0 315.351 -0.230 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cc(C(C)=O)cn1C ZINC000821598568 805186981 /nfs/dbraw/zinc/18/69/81/805186981.db2.gz JKWWETLOHHJICS-UHFFFAOYSA-N -1 0 316.335 -0.150 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccc2c(c1)COC2 ZINC000821768937 805190023 /nfs/dbraw/zinc/19/00/23/805190023.db2.gz AXSHXTXHBVXVGE-UHFFFAOYSA-N -1 0 312.347 -0.201 20 0 DBADRM Cn1cc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)[nH]c1=O ZINC000823125539 805225110 /nfs/dbraw/zinc/22/51/10/805225110.db2.gz NGKBNHGGAGPTIB-UHFFFAOYSA-N -1 0 318.340 -0.399 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823575708 805234736 /nfs/dbraw/zinc/23/47/36/805234736.db2.gz XGTRXIHTKCFXRS-RYUDHWBXSA-N -1 0 313.354 -0.118 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC000824220661 805251926 /nfs/dbraw/zinc/25/19/26/805251926.db2.gz ZHEWTWVSCKWEOP-NKWVEPMBSA-N -1 0 311.260 -0.515 20 0 DBADRM CC(C)[C@@H]1C[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC000824213909 805251960 /nfs/dbraw/zinc/25/19/60/805251960.db2.gz DHHCWJJOLRZQTI-UWVGGRQHSA-N -1 0 320.357 -0.222 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC000824220663 805252203 /nfs/dbraw/zinc/25/22/03/805252203.db2.gz ZHEWTWVSCKWEOP-RQJHMYQMSA-N -1 0 311.260 -0.515 20 0 DBADRM CCCCN(CCCO)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825281564 805274099 /nfs/dbraw/zinc/27/40/99/805274099.db2.gz GBEFVHHKFKGILD-UHFFFAOYSA-N -1 0 308.346 -0.531 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001292465811 805275478 /nfs/dbraw/zinc/27/54/78/805275478.db2.gz DLDJPNNDGUCDJD-YUMQZZPRSA-N -1 0 309.326 -0.896 20 0 DBADRM CCCNC(=O)CCNC(=O)Cc1noc(C)c1-c1nn[nH]n1 ZINC000825328957 805276197 /nfs/dbraw/zinc/27/61/97/805276197.db2.gz YZKMLMBHISYRHH-UHFFFAOYSA-N -1 0 321.341 -0.262 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC000825476948 805280315 /nfs/dbraw/zinc/28/03/15/805280315.db2.gz ZHZLNPMYVWUDCL-SNVBAGLBSA-N -1 0 323.382 -0.220 20 0 DBADRM CC1(C)C(=O)NCCN1C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825697869 805285760 /nfs/dbraw/zinc/28/57/60/805285760.db2.gz URUVLAZBTCQEEA-SNVBAGLBSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)C1(NC(=O)[O-])CC1 ZINC000826075132 805292209 /nfs/dbraw/zinc/29/22/09/805292209.db2.gz UOQYSQKRMIGMIK-DTWKUNHWSA-N -1 0 319.383 -0.427 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@H]2CC(=O)N[C@@H](C)C2)c1[O-] ZINC001292643463 805311877 /nfs/dbraw/zinc/31/18/77/805311877.db2.gz ITVBOIAXMHJYLN-IONNQARKSA-N -1 0 323.353 -0.816 20 0 DBADRM CC(C)C(=O)N1CCC[C@H]1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000826651460 805316501 /nfs/dbraw/zinc/31/65/01/805316501.db2.gz DFPNQEGPPPTGKX-ZJUUUORDSA-N -1 0 314.338 -0.234 20 0 DBADRM C[S@](=O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000826700649 805317766 /nfs/dbraw/zinc/31/77/66/805317766.db2.gz QQOWKXYPWCKZLB-SFHVURJKSA-N -1 0 306.365 -0.852 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001292761252 805334884 /nfs/dbraw/zinc/33/48/84/805334884.db2.gz YEGYCWBKDLDDQE-NXEZZACHSA-N -1 0 317.349 -0.085 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccn(C)n2)C1=O ZINC000827523760 805341708 /nfs/dbraw/zinc/34/17/08/805341708.db2.gz PKFYWLWPCBHILB-JTQLQIEISA-N -1 0 301.328 -0.666 20 0 DBADRM Cc1cccc(CO[N-]C(=O)CN2CCS(=O)(=O)CC2)n1 ZINC000827836866 805353730 /nfs/dbraw/zinc/35/37/30/805353730.db2.gz NPJZLFVOCHCIOU-UHFFFAOYSA-N -1 0 313.379 -0.332 20 0 DBADRM O=C(NCCNC(=O)[C@H]1CCCC12CC2)c1n[nH]c(=O)[n-]c1=O ZINC001292925567 805358554 /nfs/dbraw/zinc/35/85/54/805358554.db2.gz JSWLKARXGRDTMB-MRVPVSSYSA-N -1 0 321.337 -0.291 20 0 DBADRM CC1(C(=O)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)CC=CC1 ZINC001293012288 805372271 /nfs/dbraw/zinc/37/22/71/805372271.db2.gz BSGUGOGVROLVQI-UHFFFAOYSA-N -1 0 307.310 -0.515 20 0 DBADRM O=C(NCCNC(=O)[C@]12C[C@H]1CCCC2)c1n[nH]c(=O)[n-]c1=O ZINC001293013111 805372782 /nfs/dbraw/zinc/37/27/82/805372782.db2.gz NLBIHTJBGAMKQY-XLKFXECMSA-N -1 0 321.337 -0.291 20 0 DBADRM O=C(NC[C@]12COCCN1C(=O)COC2)c1cccc(F)c1[O-] ZINC000828482163 805376463 /nfs/dbraw/zinc/37/64/63/805376463.db2.gz KZJBAXXSMJFGMB-OAHLLOKOSA-N -1 0 324.308 -0.111 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)n1 ZINC000828552569 805377038 /nfs/dbraw/zinc/37/70/38/805377038.db2.gz UCOONXXWUSYZDG-JGVFFNPUSA-N -1 0 310.314 -0.601 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001293074884 805381844 /nfs/dbraw/zinc/38/18/44/805381844.db2.gz SOWBTWNEZAPDQK-UHFFFAOYSA-N -1 0 301.357 -0.664 20 0 DBADRM COCCO[N-]C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000829682935 805399085 /nfs/dbraw/zinc/39/90/85/805399085.db2.gz PFDFBNPLTNJPDN-QWHCGFSZSA-N -1 0 309.322 -0.326 20 0 DBADRM CCCN(C)S(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000830058495 805417949 /nfs/dbraw/zinc/41/79/49/805417949.db2.gz RCUBRCYAGLZUDN-CMPLNLGQSA-N -1 0 306.384 -0.004 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000830058062 805418198 /nfs/dbraw/zinc/41/81/98/805418198.db2.gz HQEKIESCRLDPLF-CMPLNLGQSA-N -1 0 322.383 -0.768 20 0 DBADRM NC(=O)C1(C(=O)Nc2ccc(OCc3nnn[n-]3)cc2)CC1 ZINC001293574700 805434127 /nfs/dbraw/zinc/43/41/27/805434127.db2.gz MXBMSNHWNSDOTF-UHFFFAOYSA-N -1 0 302.294 -0.017 20 0 DBADRM C/C=C(/C)C(=O)NC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001293788655 805445081 /nfs/dbraw/zinc/44/50/81/805445081.db2.gz SCLAIPAPIMVKPJ-OQFOIZHKSA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000831063243 805445345 /nfs/dbraw/zinc/44/53/45/805445345.db2.gz VLTGUVXCOHCONV-SNVBAGLBSA-N -1 0 313.354 -0.260 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cnn(C(C)C)c1 ZINC000831176268 805448417 /nfs/dbraw/zinc/44/84/17/805448417.db2.gz XXFHCVYJNCATJG-UHFFFAOYSA-N -1 0 319.339 -0.288 20 0 DBADRM C/C=C(\C)C(=O)N[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001293888152 805448941 /nfs/dbraw/zinc/44/89/41/805448941.db2.gz DSIDELVZYQKBLO-RZCNENHTSA-N -1 0 323.353 -0.237 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@@H](O)C1CCOCC1 ZINC000831622476 805459513 /nfs/dbraw/zinc/45/95/13/805459513.db2.gz VHLUMEDFAHDGPT-GHMZBOCLSA-N -1 0 302.327 -0.731 20 0 DBADRM CNS(=O)(=O)NCC(=O)[N-]OCc1ccccc1OC ZINC000831768985 805465183 /nfs/dbraw/zinc/46/51/83/805465183.db2.gz FJDXLIAUVHLSJB-UHFFFAOYSA-N -1 0 303.340 -0.703 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@@H]2Cn2cncn2)C1 ZINC000832049496 805470978 /nfs/dbraw/zinc/47/09/78/805470978.db2.gz GFPWPXPBEIPLCE-MNOVXSKESA-N -1 0 309.326 -0.352 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)NCCc2n[n-]c(=S)o2)n1 ZINC000832364264 805478993 /nfs/dbraw/zinc/47/89/93/805478993.db2.gz YJWDIADAGMPFFC-UHFFFAOYSA-N -1 0 310.343 -0.836 20 0 DBADRM CCOCCONC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000832385379 805480057 /nfs/dbraw/zinc/48/00/57/805480057.db2.gz AAIDOYHZUYXZTL-UHFFFAOYSA-N -1 0 304.324 -0.263 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000832735846 805489538 /nfs/dbraw/zinc/48/95/38/805489538.db2.gz LOFGDKRAIPFULS-SSDOTTSWSA-N -1 0 311.260 -0.419 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cc1nnc(-c2ccccc2)n1C ZINC000832749362 805490664 /nfs/dbraw/zinc/49/06/64/805490664.db2.gz UODRJCBVUGYXCV-UHFFFAOYSA-N -1 0 303.322 -0.182 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cnc(C2(C)OCCO2)s1 ZINC000832749246 805490686 /nfs/dbraw/zinc/49/06/86/805490686.db2.gz QWGGJFATFIDKGA-UHFFFAOYSA-N -1 0 301.324 -0.230 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(CC(=O)NCC(=O)[N-]OC)C1 ZINC000832741735 805490758 /nfs/dbraw/zinc/49/07/58/805490758.db2.gz WQMDBUHZLFURCY-SNVBAGLBSA-N -1 0 301.343 -0.945 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000832773585 805491359 /nfs/dbraw/zinc/49/13/59/805491359.db2.gz VKCNLTCKLOEULJ-SNVBAGLBSA-N -1 0 321.333 -0.158 20 0 DBADRM CO[N-]C(=O)CNC(=O)COc1cccc(N2CCCC2=O)c1 ZINC000832776248 805493198 /nfs/dbraw/zinc/49/31/98/805493198.db2.gz LSWRAFIAUZTTLO-UHFFFAOYSA-N -1 0 321.333 -0.014 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@@H](C)CC(=O)[O-])CC2)n1C ZINC000833018419 805493694 /nfs/dbraw/zinc/49/36/94/805493694.db2.gz STTYFHFRDPHIEQ-JTQLQIEISA-N -1 0 309.370 -0.121 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1CC(=O)Nc1nc(C2CC2)no1 ZINC000833207138 805493836 /nfs/dbraw/zinc/49/38/36/805493836.db2.gz JLXKKWHMPLQPTE-QMMMGPOBSA-N -1 0 323.309 -0.839 20 0 DBADRM NS(=O)(=O)N1CCN([C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000833088743 805494481 /nfs/dbraw/zinc/49/44/81/805494481.db2.gz UGKANIXKXRPNAH-NSHDSACASA-N -1 0 317.342 -0.228 20 0 DBADRM CN(C)C(=O)c1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])[nH]1 ZINC000833687342 805494978 /nfs/dbraw/zinc/49/49/78/805494978.db2.gz NXIJGPIXCPIQBX-NSHDSACASA-N -1 0 308.338 -0.508 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NCc2nnnn2C2CC2)n1 ZINC000833277326 805495237 /nfs/dbraw/zinc/49/52/37/805495237.db2.gz MHKQOKJXHYVTQH-UHFFFAOYSA-N -1 0 306.286 -0.389 20 0 DBADRM CCC(=O)N(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001294618568 805495828 /nfs/dbraw/zinc/49/58/28/805495828.db2.gz HLBPNRAEJGYAMF-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM Cc1ccn([C@H](C)CC(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC000834324902 805497373 /nfs/dbraw/zinc/49/73/73/805497373.db2.gz MXSMKEXRITXIII-SNVBAGLBSA-N -1 0 316.383 -0.275 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1onc2c1CCCC2 ZINC000834324826 805497477 /nfs/dbraw/zinc/49/74/77/805497477.db2.gz KTEJQAJZGXQYNE-UHFFFAOYSA-N -1 0 315.351 -0.251 20 0 DBADRM CC1(C)OC[C@H]2C[C@]21C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000834324928 805497521 /nfs/dbraw/zinc/49/75/21/805497521.db2.gz NUBAEOPDXMUMMO-PRHODGIISA-N -1 0 304.368 -0.616 20 0 DBADRM CC(C)(O)CO[N-]C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000834622327 805513612 /nfs/dbraw/zinc/51/36/12/805513612.db2.gz UESIYGPGFOJVDG-WDEREUQCSA-N -1 0 309.322 -0.224 20 0 DBADRM CCOC(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)on1 ZINC000835097568 805519189 /nfs/dbraw/zinc/51/91/89/805519189.db2.gz KAVRSWHPEWVIMD-UHFFFAOYSA-N -1 0 317.323 -0.078 20 0 DBADRM CO[C@H]1COCC[C@H]1CC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000835099549 805519554 /nfs/dbraw/zinc/51/95/54/805519554.db2.gz YYEUEHVESAIMJJ-QWRGUYRKSA-N -1 0 306.384 -0.115 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000835099542 805519618 /nfs/dbraw/zinc/51/96/18/805519618.db2.gz YYEUEHVESAIMJJ-GHMZBOCLSA-N -1 0 306.384 -0.115 20 0 DBADRM CC(C)(C)OCCS(=O)(=O)[N-]C(=O)CN1CCOCC1 ZINC000835918984 805522025 /nfs/dbraw/zinc/52/20/25/805522025.db2.gz OIYPOTRYPNINGU-UHFFFAOYSA-N -1 0 308.400 -0.420 20 0 DBADRM CC(C)(CO)O[N-]C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000836800735 805529973 /nfs/dbraw/zinc/52/99/73/805529973.db2.gz CKSKAVJFASYGHV-UHFFFAOYSA-N -1 0 307.306 -0.079 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000837289021 805532130 /nfs/dbraw/zinc/53/21/30/805532130.db2.gz UAGFZIGBYYGIIN-NSHDSACASA-N -1 0 301.320 -0.048 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1c[nH]nc1Cl)C(=O)[O-] ZINC000837287878 805532795 /nfs/dbraw/zinc/53/27/95/805532795.db2.gz JYELBWQKOZIELZ-FSPLSTOPSA-N -1 0 311.747 -0.044 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cn(Cc3ccccn3)nn2)C1=O ZINC001295171926 805537419 /nfs/dbraw/zinc/53/74/19/805537419.db2.gz DKJAFQIKILGFLK-UHFFFAOYSA-N -1 0 315.293 -0.740 20 0 DBADRM NC(=O)C1(NC(=O)c2cc(=O)[nH][n-]2)C2CC3CC(C2)CC1C3 ZINC000838299644 805540869 /nfs/dbraw/zinc/54/08/69/805540869.db2.gz BUNFEVHOEVUHKC-UHFFFAOYSA-N -1 0 304.350 -0.341 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)ncn2C ZINC000838799172 805545744 /nfs/dbraw/zinc/54/57/44/805545744.db2.gz ZGVFQJDFJDGIAZ-UHFFFAOYSA-N -1 0 311.319 -0.194 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1nc(C)n2ccccc12 ZINC000838800376 805545909 /nfs/dbraw/zinc/54/59/09/805545909.db2.gz ACIIUQXDDXNLOC-UHFFFAOYSA-N -1 0 311.319 -0.125 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCC(=O)OC(C)(C)C ZINC000838799975 805545916 /nfs/dbraw/zinc/54/59/16/805545916.db2.gz JPHDDQVCXNRASH-UHFFFAOYSA-N -1 0 309.340 -0.273 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CN(C)C(=O)OC(C)(C)C ZINC000838800990 805545996 /nfs/dbraw/zinc/54/59/96/805545996.db2.gz PEKHDYGCEMKFST-UHFFFAOYSA-N -1 0 324.355 -0.528 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N1CCCC1=O ZINC000838800495 805546038 /nfs/dbraw/zinc/54/60/38/805546038.db2.gz GGLPSEXJSBICIZ-LLVKDONJSA-N -1 0 320.367 -0.748 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccnc(OC(F)F)c1 ZINC000838795926 805546058 /nfs/dbraw/zinc/54/60/58/805546058.db2.gz DYILWKNJVNLMAO-UHFFFAOYSA-N -1 0 324.261 -0.084 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]1CCCCO1 ZINC000838805761 805546718 /nfs/dbraw/zinc/54/67/18/805546718.db2.gz CFVDIBAFTCGQSA-VHSXEESVSA-N -1 0 323.367 -0.420 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cc(C2CC2)n[nH]1 ZINC000838848167 805546737 /nfs/dbraw/zinc/54/67/37/805546737.db2.gz PKZVLJRPDOEVRF-UHFFFAOYSA-N -1 0 301.324 -0.090 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCOCC(F)(F)F ZINC000838848011 805546765 /nfs/dbraw/zinc/54/67/65/805546765.db2.gz NGIMPWHMHVVMTD-UHFFFAOYSA-N -1 0 321.273 -0.036 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]1CCCO1 ZINC000838849584 805546890 /nfs/dbraw/zinc/54/68/90/805546890.db2.gz AVBHVCOSAJSDKL-NXEZZACHSA-N -1 0 323.367 -0.420 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccn1 ZINC000838842832 805546935 /nfs/dbraw/zinc/54/69/35/805546935.db2.gz SIZHJOUMKQFCKD-VIFPVBQESA-N -1 0 316.335 -0.142 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC000838848990 805547325 /nfs/dbraw/zinc/54/73/25/805547325.db2.gz PFPYWTFZYWDYSD-MRVPVSSYSA-N -1 0 322.383 -0.454 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1cnnn1C ZINC000838895266 805548275 /nfs/dbraw/zinc/54/82/75/805548275.db2.gz PHEHTLUNBLKYHV-SECBINFHSA-N -1 0 318.355 -0.394 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@H](C)NC(C)=O ZINC000838889107 805548413 /nfs/dbraw/zinc/54/84/13/805548413.db2.gz MKEIBUCKWNNQRE-WPRPVWTQSA-N -1 0 322.383 -0.311 20 0 DBADRM CC(C)=CC(=O)NC[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001295415002 805553211 /nfs/dbraw/zinc/55/32/11/805553211.db2.gz UTBWZKFURJPKGN-SECBINFHSA-N -1 0 308.338 -0.313 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000883409261 807013696 /nfs/dbraw/zinc/01/36/96/807013696.db2.gz SJKHRLRIFAGPGY-GFCCVEGCSA-N -1 0 312.366 -0.057 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccn([C@@H](C)COC)n1 ZINC001324885530 807013881 /nfs/dbraw/zinc/01/38/81/807013881.db2.gz DPXLNEPZMJIJCF-VIFPVBQESA-N -1 0 300.315 -0.277 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCC(C(F)F)CC1 ZINC000884476609 807050601 /nfs/dbraw/zinc/05/06/01/807050601.db2.gz VTHYOMGBLWIZLM-UHFFFAOYSA-N -1 0 308.281 -0.293 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCC[C@H](CCF)C1 ZINC000884477425 807050810 /nfs/dbraw/zinc/05/08/10/807050810.db2.gz XABLUYZQYPZLMZ-SNVBAGLBSA-N -1 0 304.318 -0.198 20 0 DBADRM CSC[C@@H]1CCCN1C(=O)C(=O)NCCOCC(=O)[O-] ZINC000884474132 807050712 /nfs/dbraw/zinc/05/07/12/807050712.db2.gz QSJUXXCCIVQERX-VIFPVBQESA-N -1 0 304.368 -0.442 20 0 DBADRM CCN1C[C@@H](C)N(C(=O)C(=O)NCCOCC(=O)[O-])C[C@@H]1C ZINC000884475070 807050933 /nfs/dbraw/zinc/05/09/33/807050933.db2.gz WMMVITPGKHUKBP-WDEREUQCSA-N -1 0 315.370 -0.855 20 0 DBADRM CCN1C[C@H](C)N(C(=O)C(=O)NCCOCC(=O)[O-])C[C@H]1C ZINC000884475068 807051019 /nfs/dbraw/zinc/05/10/19/807051019.db2.gz WMMVITPGKHUKBP-MNOVXSKESA-N -1 0 315.370 -0.855 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001325402574 807067027 /nfs/dbraw/zinc/06/70/27/807067027.db2.gz ADSCVULCJXHCKM-JTQLQIEISA-N -1 0 315.370 -0.414 20 0 DBADRM CCOC(=O)C[C@H](C)CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001325642671 807087519 /nfs/dbraw/zinc/08/75/19/807087519.db2.gz QQATZUYNFOTISB-WDEREUQCSA-N -1 0 316.354 -0.224 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])n1 ZINC001325829886 807107347 /nfs/dbraw/zinc/10/73/47/807107347.db2.gz IMFPXMTUAUFHMB-UHFFFAOYSA-N -1 0 312.326 -0.346 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001326029487 807135110 /nfs/dbraw/zinc/13/51/10/807135110.db2.gz ZKOCCVUXVDCSIZ-JTQLQIEISA-N -1 0 315.370 -0.651 20 0 DBADRM CC(C)OCCO[N-]C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC001326030635 807135854 /nfs/dbraw/zinc/13/58/54/807135854.db2.gz DGLGCCZQXQMCNJ-UHFFFAOYSA-N -1 0 310.310 -0.408 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC000887052216 807146456 /nfs/dbraw/zinc/14/64/56/807146456.db2.gz ONEGOXUDUFNCGU-BQVMBELUSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CSC[C@@H]3C2)CCO1 ZINC000887052389 807146504 /nfs/dbraw/zinc/14/65/04/807146504.db2.gz UBIJTQZKYPSGFV-KXUCPTDWSA-N -1 0 314.363 -0.880 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC000887052495 807147116 /nfs/dbraw/zinc/14/71/16/807147116.db2.gz XFRPJBNYGLABJH-YYHQMBLXSA-N -1 0 324.377 -0.215 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC000887325374 807155077 /nfs/dbraw/zinc/15/50/77/807155077.db2.gz NMPVRRPZNUQQPU-JTQLQIEISA-N -1 0 304.368 -0.265 20 0 DBADRM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1 ZINC001326199010 807160090 /nfs/dbraw/zinc/16/00/90/807160090.db2.gz HGBGBJLJTWPUID-MNOVXSKESA-N -1 0 312.366 -0.071 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)s1 ZINC001326240493 807163361 /nfs/dbraw/zinc/16/33/61/807163361.db2.gz MUBRJUIDORBMKL-JGVFFNPUSA-N -1 0 312.351 -0.168 20 0 DBADRM CNC(=O)C1CCC(NC(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001326277295 807166406 /nfs/dbraw/zinc/16/64/06/807166406.db2.gz KWNIQCRZFYMQJW-UHFFFAOYSA-N -1 0 313.354 -0.612 20 0 DBADRM COC(=O)CCCCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001326392101 807176691 /nfs/dbraw/zinc/17/66/91/807176691.db2.gz UQPOUUJRNQEITF-VIFPVBQESA-N -1 0 321.351 -0.570 20 0 DBADRM Cn1cc(CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)nn1 ZINC001326493037 807186875 /nfs/dbraw/zinc/18/68/75/807186875.db2.gz DRAMNBKYQVLSKY-UHFFFAOYSA-N -1 0 309.326 -0.855 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)c1ncn(C)n1 ZINC001326547575 807192462 /nfs/dbraw/zinc/19/24/62/807192462.db2.gz PHZSZCJWXMFLKA-SECBINFHSA-N -1 0 323.353 -0.294 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(F)c(C)c1 ZINC001326663149 807204050 /nfs/dbraw/zinc/20/40/50/807204050.db2.gz IAAWOMBSEBPDKG-UHFFFAOYSA-N -1 0 311.313 -0.066 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1nc(-c2ccco2)cs1 ZINC001326799776 807213418 /nfs/dbraw/zinc/21/34/18/807213418.db2.gz CYDWRKGBOSTQAJ-UHFFFAOYSA-N -1 0 310.291 -0.125 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1cccnc1-n1cncn1 ZINC001326909800 807224747 /nfs/dbraw/zinc/22/47/47/807224747.db2.gz SBIPCPMYPPSWOM-UHFFFAOYSA-N -1 0 320.309 -0.315 20 0 DBADRM O=C(CN1CCS(=O)(=O)CC1)[N-]Oc1ccc(F)cc1 ZINC000898573816 807225774 /nfs/dbraw/zinc/22/57/74/807225774.db2.gz SGUYGFHTBFRUIU-UHFFFAOYSA-N -1 0 302.327 -0.034 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)C[C@H]1CCOC1 ZINC001326984251 807228572 /nfs/dbraw/zinc/22/85/72/807228572.db2.gz QLZAJWGGYLWHLX-NXEZZACHSA-N -1 0 301.343 -0.898 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)nn1C ZINC001326990156 807229229 /nfs/dbraw/zinc/22/92/29/807229229.db2.gz FFWWCWOPFFDQFW-UHFFFAOYSA-N -1 0 309.326 -0.225 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1 ZINC000898709738 807234750 /nfs/dbraw/zinc/23/47/50/807234750.db2.gz NQDMTSIXVAHVQB-COPLHBTASA-N -1 0 316.354 -0.477 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H](COC)[C@H]1CCCOC1 ZINC000898748815 807235658 /nfs/dbraw/zinc/23/56/58/807235658.db2.gz GKURRTIGFVPINK-WDEREUQCSA-N -1 0 304.343 -0.762 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H](COC)[C@@H]1CCCOC1 ZINC000898748812 807235702 /nfs/dbraw/zinc/23/57/02/807235702.db2.gz GKURRTIGFVPINK-GHMZBOCLSA-N -1 0 304.343 -0.762 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H](COC)[C@H]1CCCOC1 ZINC000898753012 807236821 /nfs/dbraw/zinc/23/68/21/807236821.db2.gz XBWJHRAAMHLJHQ-RYUDHWBXSA-N -1 0 318.370 -0.372 20 0 DBADRM COCCCn1cc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)cn1 ZINC000899039377 807245666 /nfs/dbraw/zinc/24/56/66/807245666.db2.gz DISSDJICHDVLLM-VIFPVBQESA-N -1 0 309.326 -0.153 20 0 DBADRM CCOC(=O)c1[nH]ccc1NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC001327152370 807245610 /nfs/dbraw/zinc/24/56/10/807245610.db2.gz ZPXRRMXBFIKDFU-ZETCQYMHSA-N -1 0 311.294 -0.033 20 0 DBADRM CCCO[N-]C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001327169896 807246031 /nfs/dbraw/zinc/24/60/31/807246031.db2.gz ADNVSIKHXCTNTC-SECBINFHSA-N -1 0 317.367 -0.390 20 0 DBADRM CCN([C@@H](C)C(=O)[O-])S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000899565614 807263379 /nfs/dbraw/zinc/26/33/79/807263379.db2.gz HDWIOQFSDZELGY-WPRPVWTQSA-N -1 0 304.368 -0.126 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)N1CCCOCC1 ZINC000899578012 807264317 /nfs/dbraw/zinc/26/43/17/807264317.db2.gz CNMYBEHATTYLBE-UHFFFAOYSA-N -1 0 310.372 -0.623 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001327346188 807266137 /nfs/dbraw/zinc/26/61/37/807266137.db2.gz JYBGXSDMHDTJOB-JTQLQIEISA-N -1 0 321.399 -0.912 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC001327424205 807280634 /nfs/dbraw/zinc/28/06/34/807280634.db2.gz BFBFCTWSFBUCKJ-VIFPVBQESA-N -1 0 322.383 -0.847 20 0 DBADRM CC(C)(CO)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001327443992 807284046 /nfs/dbraw/zinc/28/40/46/807284046.db2.gz DYYCUEVKTVAQTB-UHFFFAOYSA-N -1 0 312.326 -0.472 20 0 DBADRM NC(=O)CN1CCC[C@@H](NC(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC001327477609 807288353 /nfs/dbraw/zinc/28/83/53/807288353.db2.gz MVIIDLFHOUHZFM-ABAIWWIYSA-N -1 0 309.366 -0.137 20 0 DBADRM Cc1cnn(C)c1NC(=O)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001327478396 807289350 /nfs/dbraw/zinc/28/93/50/807289350.db2.gz FSPKGTRTXUAMSZ-SECBINFHSA-N -1 0 320.309 -0.657 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](C)c1nccs1 ZINC001327525519 807298883 /nfs/dbraw/zinc/29/88/83/807298883.db2.gz KSTLRDVIMAMBJT-MRVPVSSYSA-N -1 0 314.367 -0.453 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)OCc1ccccc1 ZINC001327571104 807305040 /nfs/dbraw/zinc/30/50/40/807305040.db2.gz DDMDAMDWOSJARD-UHFFFAOYSA-N -1 0 309.322 -0.240 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC001327591085 807308432 /nfs/dbraw/zinc/30/84/32/807308432.db2.gz BYNGESPKCPDDLW-RISCZKNCSA-N -1 0 300.355 -0.201 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC1 ZINC001327591999 807309140 /nfs/dbraw/zinc/30/91/40/807309140.db2.gz HSTFTUJKNRZTFY-CQSZACIVSA-N -1 0 315.370 -0.854 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC=CC1 ZINC001327592820 807309285 /nfs/dbraw/zinc/30/92/85/807309285.db2.gz NEVHJGDYFYXFBY-UHFFFAOYSA-N -1 0 321.377 -0.170 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)/C=C/c1ccncn1)OC ZINC001327616992 807314194 /nfs/dbraw/zinc/31/41/94/807314194.db2.gz ODBSMHJVAXTIPB-UFFNRZRYSA-N -1 0 315.351 -0.403 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)COCC2)C(=O)[O-] ZINC001327681060 807322428 /nfs/dbraw/zinc/32/24/28/807322428.db2.gz WMQKHXDCHWYSMO-MRVPVSSYSA-N -1 0 307.306 -0.070 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)COCC2)C(=O)[O-] ZINC001327681061 807322508 /nfs/dbraw/zinc/32/25/08/807322508.db2.gz WMQKHXDCHWYSMO-QMMMGPOBSA-N -1 0 307.306 -0.070 20 0 DBADRM Cn1ncc(N2CCOC[C@@H]2C(=O)[O-])c(Br)c1=O ZINC000900946699 807334552 /nfs/dbraw/zinc/33/45/52/807334552.db2.gz YVCVOPQCROMHNU-SSDOTTSWSA-N -1 0 318.127 -0.167 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccc(OC)nc1 ZINC001327792114 807337881 /nfs/dbraw/zinc/33/78/81/807337881.db2.gz FYHOJHIOAPCEEA-UHFFFAOYSA-N -1 0 324.337 -0.768 20 0 DBADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cccs1)N1CCNCC1=O ZINC000901007118 807340234 /nfs/dbraw/zinc/34/02/34/807340234.db2.gz LFGDZYXNSNLYHG-QMMMGPOBSA-N -1 0 317.392 -0.627 20 0 DBADRM NC1(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)Cc2ccccc2C1 ZINC000901032849 807341799 /nfs/dbraw/zinc/34/17/99/807341799.db2.gz DQNXUHQGFOMCQY-GFCCVEGCSA-N -1 0 310.375 -0.282 20 0 DBADRM C[C@H](C(=O)[N-]S(=O)(=O)C1CCCC1)N1CCNCC1=O ZINC000901032753 807341944 /nfs/dbraw/zinc/34/19/44/807341944.db2.gz CVFDSDAMLSRWIR-SECBINFHSA-N -1 0 303.384 -0.805 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(F)n1 ZINC001327856611 807347729 /nfs/dbraw/zinc/34/77/29/807347729.db2.gz UWGNBTJGFRHYJP-MRVPVSSYSA-N -1 0 302.283 -0.456 20 0 DBADRM COCCc1noc(CN(C)C(=O)[C@@](C)(OC)C(=O)[O-])n1 ZINC001327895257 807351913 /nfs/dbraw/zinc/35/19/13/807351913.db2.gz HLXWEXULOKYVTH-GFCCVEGCSA-N -1 0 301.299 -0.293 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001327947354 807360244 /nfs/dbraw/zinc/36/02/44/807360244.db2.gz YWAGXTWKDRYEIV-UHFFFAOYSA-N -1 0 311.382 -0.090 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000901419503 807364125 /nfs/dbraw/zinc/36/41/25/807364125.db2.gz CKALGOVWWMSSCW-RITPCOANSA-N -1 0 303.258 -0.248 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CNC(=O)c3ccccc32)CCO1 ZINC000901449356 807364930 /nfs/dbraw/zinc/36/49/30/807364930.db2.gz PUDVAVWSJQIDRB-NEPJUHHUSA-N -1 0 304.302 -0.174 20 0 DBADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000901653259 807365334 /nfs/dbraw/zinc/36/53/34/807365334.db2.gz UOPVVIYOGYWEEW-ORMBPQIASA-N -1 0 301.364 -0.011 20 0 DBADRM CN(C)C(=O)NCCN(C)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC000901625795 807365418 /nfs/dbraw/zinc/36/54/18/807365418.db2.gz UJSIDXMUHLDYCZ-QWRGUYRKSA-N -1 0 315.370 -0.014 20 0 DBADRM CCN(CC)C(=O)CN(C)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC000901800450 807365888 /nfs/dbraw/zinc/36/58/88/807365888.db2.gz XVUNJKDSYCHXMF-UHFFFAOYSA-N -1 0 323.349 -0.127 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC000901661427 807365898 /nfs/dbraw/zinc/36/58/98/807365898.db2.gz LFMAEZAUWZOOKM-MNOVXSKESA-N -1 0 318.395 -0.019 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC000901661429 807365931 /nfs/dbraw/zinc/36/59/31/807365931.db2.gz LFMAEZAUWZOOKM-QWRGUYRKSA-N -1 0 318.395 -0.019 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000901747404 807366165 /nfs/dbraw/zinc/36/61/65/807366165.db2.gz HMAWPJTWCFKDOV-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H](OC)C(=O)[O-])CC2 ZINC000901804918 807366217 /nfs/dbraw/zinc/36/62/17/807366217.db2.gz HQXYBTXQLUQESC-HBNTYKKESA-N -1 0 301.339 -0.136 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000901745828 807366226 /nfs/dbraw/zinc/36/62/26/807366226.db2.gz DYWXFDJQRYGDPR-NEPJUHHUSA-N -1 0 308.334 -0.098 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000901863008 807366518 /nfs/dbraw/zinc/36/65/18/807366518.db2.gz SNHUXVXBASYANT-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN3C(=O)NC[C@@H]3C2)CCSCC1 ZINC000901849073 807366528 /nfs/dbraw/zinc/36/65/28/807366528.db2.gz OSJHNBSSICIWDX-SECBINFHSA-N -1 0 313.379 -0.180 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)NC1(C(=O)[O-])CCOCC1 ZINC000902091539 807367770 /nfs/dbraw/zinc/36/77/70/807367770.db2.gz IJZJUPNWJSYHOE-POHAHGRESA-N -1 0 300.336 -0.217 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CSCN2C(C)=O)C1 ZINC000902311491 807371306 /nfs/dbraw/zinc/37/13/06/807371306.db2.gz QRDKYWLBUCSWQU-ZWNOBZJWSA-N -1 0 316.379 -0.143 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)/C=C2/SCC(=O)N2C)C1 ZINC000902305082 807372244 /nfs/dbraw/zinc/37/22/44/807372244.db2.gz PNJYJRFICISZSN-HQIZRNBFSA-N -1 0 314.363 -0.017 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cc2cn3c(n2)CCCC3)CC1 ZINC000902771158 807381442 /nfs/dbraw/zinc/38/14/42/807381442.db2.gz CKJAGNRYATWFIU-UHFFFAOYSA-N -1 0 320.349 -0.483 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cn2ccc(C(F)F)n2)CC1 ZINC000902772767 807381459 /nfs/dbraw/zinc/38/14/59/807381459.db2.gz UJPGWQNTLHWHPY-UHFFFAOYSA-N -1 0 316.264 -0.424 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ncc3n2CCCC3)CC1 ZINC000902773899 807381695 /nfs/dbraw/zinc/38/16/95/807381695.db2.gz ZZKVGWCXJIKHCJ-UHFFFAOYSA-N -1 0 306.322 -0.412 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cn2cc(C3CC3)cn2)CC1 ZINC000902771093 807381722 /nfs/dbraw/zinc/38/17/22/807381722.db2.gz ARWZOBVRGPQMFH-UHFFFAOYSA-N -1 0 306.322 -0.484 20 0 DBADRM Cc1c(Cl)c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)nn1C ZINC000902775114 807381788 /nfs/dbraw/zinc/38/17/88/807381788.db2.gz QTMVFEPGHIOUGG-UHFFFAOYSA-N -1 0 314.729 -0.249 20 0 DBADRM Cn1nc2c(c1C(=O)N1CCN(C(=O)C(=O)[O-])CC1)CCC2 ZINC000902771247 807381844 /nfs/dbraw/zinc/38/18/44/807381844.db2.gz YTLTWGFVMWOZFD-UHFFFAOYSA-N -1 0 306.322 -0.722 20 0 DBADRM C[C@H]1CCn2ncc(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)c2C1 ZINC000902774246 807382046 /nfs/dbraw/zinc/38/20/46/807382046.db2.gz AYYQBVGKZYXTEO-JTQLQIEISA-N -1 0 320.349 -0.166 20 0 DBADRM C[C@]1(Br)C[C@@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000902771359 807382139 /nfs/dbraw/zinc/38/21/39/807382139.db2.gz DKMWMTHQDPZAPJ-HQJQHLMTSA-N -1 0 319.155 -0.085 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC001328181690 807389283 /nfs/dbraw/zinc/38/92/83/807389283.db2.gz AACLXDDZLGMQKI-KCJUWKMLSA-N -1 0 308.281 -0.389 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC001328178901 807389462 /nfs/dbraw/zinc/38/94/62/807389462.db2.gz XTMBQFJECWDBQZ-IUCAKERBSA-N -1 0 324.424 -0.521 20 0 DBADRM COC[C@H]1COCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000903530360 807393619 /nfs/dbraw/zinc/39/36/19/807393619.db2.gz BIHJCZVPENWSAH-UWVGGRQHSA-N -1 0 308.356 -0.873 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12 ZINC000903538152 807394476 /nfs/dbraw/zinc/39/44/76/807394476.db2.gz PGEZDSMEYBYMPE-ZRUFSTJUSA-N -1 0 306.384 -0.102 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCO[C@@H]2COCC[C@@H]21 ZINC000903545801 807394755 /nfs/dbraw/zinc/39/47/55/807394755.db2.gz BCXBXFHOLVAUOG-HBNTYKKESA-N -1 0 320.367 -0.730 20 0 DBADRM COCC[C@H](CO)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001328334560 807412724 /nfs/dbraw/zinc/41/27/24/807412724.db2.gz RGEYXDFKYQVPKU-MRVPVSSYSA-N -1 0 311.294 -0.768 20 0 DBADRM CN1CCc2cc(NC(=O)C(=O)NCCC(=O)[O-])ccc2C1=O ZINC001328335319 807413632 /nfs/dbraw/zinc/41/36/32/807413632.db2.gz ZNMADAXEHQQXJQ-UHFFFAOYSA-N -1 0 319.317 -0.156 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NC[C@@H]2CCOC2)n1 ZINC001328335060 807413965 /nfs/dbraw/zinc/41/39/65/807413965.db2.gz WXWKOXVYOQECBN-VIFPVBQESA-N -1 0 324.337 -0.206 20 0 DBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)CC1(F)CCC1 ZINC000903840318 807417624 /nfs/dbraw/zinc/41/76/24/807417624.db2.gz GRYBCSWFMLGADE-ASCAZGACSA-N -1 0 313.372 -0.274 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCOC[C@@H](C)C1 ZINC000904936353 807427551 /nfs/dbraw/zinc/42/75/51/807427551.db2.gz MCXCAGIEPUEAFG-NSHDSACASA-N -1 0 316.354 -0.569 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCSC[C@H]1C ZINC000904936799 807427700 /nfs/dbraw/zinc/42/77/00/807427700.db2.gz RIFIPWNPHMJPSD-SNVBAGLBSA-N -1 0 318.395 -0.100 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@@H](CF)C1 ZINC000904941714 807428081 /nfs/dbraw/zinc/42/80/81/807428081.db2.gz ROMNRKHFEWGPMK-JTQLQIEISA-N -1 0 320.317 -0.867 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001328563233 807443575 /nfs/dbraw/zinc/44/35/75/807443575.db2.gz YSWIHGRBAGSGCM-SECBINFHSA-N -1 0 320.305 -0.545 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCO[C@]3(CCOC3)C2)CCC1 ZINC000905041149 807443663 /nfs/dbraw/zinc/44/36/63/807443663.db2.gz YYIBRJRENFKESV-LLVKDONJSA-N -1 0 305.352 -0.185 20 0 DBADRM CC(=O)N1CCCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1 ZINC000905032441 807443795 /nfs/dbraw/zinc/44/37/95/807443795.db2.gz LMAMLGNOJMWHRF-UHFFFAOYSA-N -1 0 304.368 -0.122 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NOC[C@H]2CCOC2)c1 ZINC001328676422 807454071 /nfs/dbraw/zinc/45/40/71/807454071.db2.gz LFQZEBMCDSMLBA-QMMMGPOBSA-N -1 0 316.335 -0.263 20 0 DBADRM CCOCCn1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cn1 ZINC001328711829 807459576 /nfs/dbraw/zinc/45/95/76/807459576.db2.gz ITLOQEYXFWUFOJ-LLVKDONJSA-N -1 0 321.341 -0.354 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cnc(C2CC2)nc1 ZINC001328725407 807460668 /nfs/dbraw/zinc/46/06/68/807460668.db2.gz BIKHISIAPKIAKE-UHFFFAOYSA-N -1 0 307.310 -0.524 20 0 DBADRM COC[C@H](NC(=O)N1CCOC[C@H]1C(=O)[O-])[C@@H]1CCCOC1 ZINC000905593136 807464701 /nfs/dbraw/zinc/46/47/01/807464701.db2.gz YWRLFDPTKPDSEZ-WOPDTQHZSA-N -1 0 316.354 -0.077 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC(Cn2cnnc2)CC1 ZINC001328799578 807469719 /nfs/dbraw/zinc/46/97/19/807469719.db2.gz UAAVGORFYOFZLE-UHFFFAOYSA-N -1 0 323.353 -0.502 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCOc1ccccc1 ZINC001328872050 807481535 /nfs/dbraw/zinc/48/15/35/807481535.db2.gz LXBHSWVXUXXSQX-UHFFFAOYSA-N -1 0 309.322 -0.635 20 0 DBADRM Cc1nccn1CCCNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001328950260 807492058 /nfs/dbraw/zinc/49/20/58/807492058.db2.gz JFEORMOAKUHTQM-UHFFFAOYSA-N -1 0 310.354 -0.075 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@](C)(OC)C1(C)C ZINC001328945645 807492119 /nfs/dbraw/zinc/49/21/19/807492119.db2.gz ALFGXYCFDUEKLT-XPTSAGLGSA-N -1 0 315.370 -0.510 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCCn2cncn2)CC[C@H]1C(=O)[O-] ZINC001328966118 807496593 /nfs/dbraw/zinc/49/65/93/807496593.db2.gz VETSBTKZKNDMNB-WDEREUQCSA-N -1 0 323.353 -0.646 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@H]1C[C@H](C)O ZINC001329001089 807503398 /nfs/dbraw/zinc/50/33/98/807503398.db2.gz QRSGYEDCYZQCJP-QWRGUYRKSA-N -1 0 315.370 -0.678 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@@H](C)c1cccnc1 ZINC001329001903 807503884 /nfs/dbraw/zinc/50/38/84/807503884.db2.gz XFCVTJXBQZDWMQ-JTQLQIEISA-N -1 0 308.338 -0.215 20 0 DBADRM O=C(N[C@@H]1CCc2nnnn2CC1)c1c[n-]n2c1nccc2=O ZINC001329008169 807504366 /nfs/dbraw/zinc/50/43/66/807504366.db2.gz IHZAPGIMFZHWAI-MRVPVSSYSA-N -1 0 314.309 -0.856 20 0 DBADRM CN1CCOC[C@@H]1CNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000907062287 807510161 /nfs/dbraw/zinc/51/01/61/807510161.db2.gz IHYLHSGSCWYBHL-NSHDSACASA-N -1 0 314.363 -0.006 20 0 DBADRM COC[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000907106223 807512111 /nfs/dbraw/zinc/51/21/11/807512111.db2.gz PGPKOJLQAAFHBQ-SECBINFHSA-N -1 0 318.351 -0.241 20 0 DBADRM COc1ccc(CCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC001329062969 807513163 /nfs/dbraw/zinc/51/31/63/807513163.db2.gz TWAWHSCKFNZONJ-NSHDSACASA-N -1 0 321.333 -0.318 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCc1ccc[nH]c1=O)C(=O)[O-] ZINC001329060373 807513169 /nfs/dbraw/zinc/51/31/69/807513169.db2.gz KAHYWUGIEOVBND-JTQLQIEISA-N -1 0 309.322 -0.124 20 0 DBADRM CC(=O)N1CCC[C@H](CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC001329119918 807525082 /nfs/dbraw/zinc/52/50/82/807525082.db2.gz DRJPXFKWLDMKBI-GXSJLCMTSA-N -1 0 313.354 -0.802 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001329162901 807531481 /nfs/dbraw/zinc/53/14/81/807531481.db2.gz KSOVZFJXLAMGDV-VHSXEESVSA-N -1 0 313.354 -0.850 20 0 DBADRM O=C([N-]OCCO)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC000907482798 807533002 /nfs/dbraw/zinc/53/30/02/807533002.db2.gz JNFOWCWIIIJFLN-GXSJLCMTSA-N -1 0 309.240 -0.163 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@@H](C)c1nc(C)no1 ZINC001329212294 807539130 /nfs/dbraw/zinc/53/91/30/807539130.db2.gz OKYWMECBWPVGFO-ZETCQYMHSA-N -1 0 313.314 -0.919 20 0 DBADRM Cc1cnc2nc(C(=O)N3CCC[C@H](c4nnn[n-]4)C3)nn2c1 ZINC001329242219 807543243 /nfs/dbraw/zinc/54/32/43/807543243.db2.gz LDLKZIYZFDWNQN-VIFPVBQESA-N -1 0 313.325 -0.034 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC000908708085 807602371 /nfs/dbraw/zinc/60/23/71/807602371.db2.gz OXVAJQJGFXUXFW-UHFFFAOYSA-N -1 0 316.379 -0.265 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(F)cc(OC)c1 ZINC001329675664 807603034 /nfs/dbraw/zinc/60/30/34/807603034.db2.gz RDFUOFZLTZHFNF-UHFFFAOYSA-N -1 0 313.285 -0.043 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCOc1ccc(Cl)cn1 ZINC001329685758 807604513 /nfs/dbraw/zinc/60/45/13/807604513.db2.gz JYCLSZJWPWYFQH-UHFFFAOYSA-N -1 0 317.729 -0.076 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)N2CCOC[C@@H]2C(=O)[O-])[C@@H]1OC ZINC000909197042 807611654 /nfs/dbraw/zinc/61/16/54/807611654.db2.gz SCPWPJHPWQALGI-ZDCRXTMVSA-N -1 0 302.327 -0.326 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CN1CCCCS1(=O)=O ZINC000909807670 807617688 /nfs/dbraw/zinc/61/76/88/807617688.db2.gz UPZDBYBNOULILV-NXEZZACHSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)[C@H](C(=O)[O-])C1 ZINC000909783195 807617757 /nfs/dbraw/zinc/61/77/57/807617757.db2.gz ZPXASCVJCNWFKO-ZJUUUORDSA-N -1 0 321.399 -0.564 20 0 DBADRM CNC(=O)C1(C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)CC1 ZINC001329809065 807622312 /nfs/dbraw/zinc/62/23/12/807622312.db2.gz KJRRFGUCZDCDRY-UHFFFAOYSA-N -1 0 321.337 -0.334 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)[N-]OCCSC)[C@@H]1OC ZINC001329834040 807626578 /nfs/dbraw/zinc/62/65/78/807626578.db2.gz LISMPEJLNGNIIB-BBBLOLIVSA-N -1 0 306.384 -0.294 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)[N-]OCCSC)[C@@H]1OC ZINC001329834038 807626626 /nfs/dbraw/zinc/62/66/26/807626626.db2.gz LISMPEJLNGNIIB-AEJSXWLSSA-N -1 0 306.384 -0.294 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000922900145 807640725 /nfs/dbraw/zinc/64/07/25/807640725.db2.gz MKYOEMBEZVUQJJ-LLVKDONJSA-N -1 0 324.312 -0.092 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC001329946684 807645582 /nfs/dbraw/zinc/64/55/82/807645582.db2.gz XOSPAQWEJKAJRO-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCN1Cc2ccccc2C1)C(=O)[O-] ZINC001329951194 807646927 /nfs/dbraw/zinc/64/69/27/807646927.db2.gz QTWWIJFSHJXIEV-LLVKDONJSA-N -1 0 319.361 -0.045 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC(=O)NC[C@@H]1c1ccccc1 ZINC000923078251 807648095 /nfs/dbraw/zinc/64/80/95/807648095.db2.gz ALJPLGDFZXKLJX-GFCCVEGCSA-N -1 0 320.349 -0.063 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000923119127 807649144 /nfs/dbraw/zinc/64/91/44/807649144.db2.gz ZEVKDUZZJJHVTL-MXWKQRLJSA-N -1 0 302.375 -0.539 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H](CC)CN1CCOCC1 ZINC000923080284 807650166 /nfs/dbraw/zinc/65/01/66/807650166.db2.gz XUHWDVGYGRWREX-LLVKDONJSA-N -1 0 302.375 -0.536 20 0 DBADRM COCCOCC(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001329971956 807652004 /nfs/dbraw/zinc/65/20/04/807652004.db2.gz OTUNIBQWXJZNBI-VIFPVBQESA-N -1 0 313.358 -0.890 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@@H](O)Cc1ccccc1 ZINC000923247573 807654404 /nfs/dbraw/zinc/65/44/04/807654404.db2.gz ICAGARGFVLEQSM-QWHCGFSZSA-N -1 0 313.375 -0.226 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccnc(OCCO)c1)C(=O)[O-] ZINC001330503708 807724312 /nfs/dbraw/zinc/72/43/12/807724312.db2.gz DDYIIAULWRTOEK-QMMMGPOBSA-N -1 0 311.294 -0.772 20 0 DBADRM COCCOCC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001330514065 807726152 /nfs/dbraw/zinc/72/61/52/807726152.db2.gz UGXATMVWBVDUHO-UHFFFAOYSA-N -1 0 312.326 -0.197 20 0 DBADRM CO[N-]C(=O)CN1C(=O)N[C@@H](Cc2cccc(OC)c2)C1=O ZINC000925255592 807732890 /nfs/dbraw/zinc/73/28/90/807732890.db2.gz CMCACGSPGLQWJF-NSHDSACASA-N -1 0 307.306 -0.164 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CO)C2)C[C@H]1C1CC1 ZINC000926282267 807757203 /nfs/dbraw/zinc/75/72/03/807757203.db2.gz CKDGWIDXCKVSDA-WCFLWFBJSA-N -1 0 324.377 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCO1 ZINC000926291057 807757247 /nfs/dbraw/zinc/75/72/47/807757247.db2.gz CRFYWBCXYIYQEN-ZMLRMANQSA-N -1 0 310.350 -0.197 20 0 DBADRM C[C@]1(CO)CCCN1C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926343378 807762485 /nfs/dbraw/zinc/76/24/85/807762485.db2.gz RROAOEYSSJPVQH-HWWQOWPSSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCSC2)CCO1 ZINC001331052064 807766586 /nfs/dbraw/zinc/76/65/86/807766586.db2.gz SWYOSSALAGNXKX-VHSXEESVSA-N -1 0 316.379 -0.442 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)CO ZINC001331055382 807766880 /nfs/dbraw/zinc/76/68/80/807766880.db2.gz HSIXLPANSPOZLB-GHMZBOCLSA-N -1 0 315.370 -0.820 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCSC2)CCO1 ZINC001331052061 807766937 /nfs/dbraw/zinc/76/69/37/807766937.db2.gz SWYOSSALAGNXKX-NXEZZACHSA-N -1 0 316.379 -0.442 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCOCC2(CCC2)C1 ZINC001331078964 807768586 /nfs/dbraw/zinc/76/85/86/807768586.db2.gz FXDULJTXOBMUSZ-PHIMTYICSA-N -1 0 310.350 -0.005 20 0 DBADRM CN(CC1(O)CCC1)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926437886 807770703 /nfs/dbraw/zinc/77/07/03/807770703.db2.gz DKXQTTWDKVNSQL-NWDGAFQWSA-N -1 0 324.377 -0.071 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC[C@@H](N(C)C)C(F)(F)F ZINC000926829708 807777547 /nfs/dbraw/zinc/77/75/47/807777547.db2.gz GKRKZVKGCUSHRE-SSDOTTSWSA-N -1 0 300.281 -0.154 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000927211645 807784615 /nfs/dbraw/zinc/78/46/15/807784615.db2.gz PNKGGAXNRCQYGL-GHMZBOCLSA-N -1 0 300.359 -0.974 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000927211180 807784938 /nfs/dbraw/zinc/78/49/38/807784938.db2.gz LGWNHOIDLXYAJH-NSHDSACASA-N -1 0 300.359 -0.830 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000927212548 807784982 /nfs/dbraw/zinc/78/49/82/807784982.db2.gz MKDGAKBADNGHMJ-MRVPVSSYSA-N -1 0 312.292 -0.058 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCNC(=O)[C@H]1c1ccccc1F ZINC000927217723 807786622 /nfs/dbraw/zinc/78/66/22/807786622.db2.gz QCXYZVRMCNJAAN-GFCCVEGCSA-N -1 0 324.312 -0.314 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@H]1C(=O)NC(C)(C)C ZINC000927218452 807786966 /nfs/dbraw/zinc/78/69/66/807786966.db2.gz CGQKHAIHTYYQDJ-VIFPVBQESA-N -1 0 300.359 -0.247 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(F)F)C1)C(=O)[O-] ZINC000927961551 807800906 /nfs/dbraw/zinc/80/09/06/807800906.db2.gz YRZGLEDWXSDAKP-HTQZYQBOSA-N -1 0 308.281 -0.294 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCS1 ZINC000927963380 807800955 /nfs/dbraw/zinc/80/09/55/807800955.db2.gz INHLRLHQDDNOIQ-OPRDCNLKSA-N -1 0 316.379 -0.301 20 0 DBADRM CN(C)S(=O)(=O)[N-]C(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC001331692820 807815999 /nfs/dbraw/zinc/81/59/99/807815999.db2.gz AONBSGJLIFLOGC-GFCCVEGCSA-N -1 0 303.384 -0.395 20 0 DBADRM CN1C(=O)CN(CC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC001331722837 807821221 /nfs/dbraw/zinc/82/12/21/807821221.db2.gz ZXKMZOMQYUORRI-QMMMGPOBSA-N -1 0 322.325 -0.890 20 0 DBADRM COC[C@H](NC(=O)N1CCOC[C@@H]1C(=O)[O-])[C@H]1CCCO1 ZINC000929048903 807822826 /nfs/dbraw/zinc/82/28/26/807822826.db2.gz GOWOPTCPCVDYFQ-HBNTYKKESA-N -1 0 302.327 -0.325 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](F)(CO)C2)CC[C@@H]1C(=O)[O-] ZINC001331762085 807827651 /nfs/dbraw/zinc/82/76/51/807827651.db2.gz JJGYDLTWTBXBQR-BFVZDQMLSA-N -1 0 316.329 -0.512 20 0 DBADRM Cc1cnc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001038034793 815152128 /nfs/dbraw/zinc/15/21/28/815152128.db2.gz HVEQVFHJHABRJI-VIFPVBQESA-N -1 0 303.326 -0.387 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC001331933399 807853441 /nfs/dbraw/zinc/85/34/41/807853441.db2.gz ATHIRIFDENHLTP-UTUOFQBUSA-N -1 0 300.355 -0.154 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@@H](OC)C(=O)[O-])CC1 ZINC001331948657 807854823 /nfs/dbraw/zinc/85/48/23/807854823.db2.gz DZHZZMUCHYHINZ-CMPLNLGQSA-N -1 0 315.370 -0.855 20 0 DBADRM C/C(=C\C(=O)N1CCO[C@H](CC(=O)[O-])C1)CN1CCOCC1 ZINC001332164705 807879715 /nfs/dbraw/zinc/87/97/15/807879715.db2.gz PHINUDDFPXYRHN-YQCJOKCJSA-N -1 0 312.366 -0.033 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CO[C@H](C3CC3)C2)C1 ZINC001332169418 807880144 /nfs/dbraw/zinc/88/01/44/807880144.db2.gz WBOZLGUMRQPHPU-TUAOUCFPSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C2(C(N)=O)CC2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001332200198 807883121 /nfs/dbraw/zinc/88/31/21/807883121.db2.gz SIQZGLUUVIQGBE-BDAKNGLRSA-N -1 0 322.369 -0.755 20 0 DBADRM CC(=O)NCCN(C(=O)CCCCC(N)=O)[C@H](C)C(=O)[O-] ZINC001332323992 807900004 /nfs/dbraw/zinc/90/00/04/807900004.db2.gz HDFHKJRWALDJEW-SECBINFHSA-N -1 0 301.343 -0.530 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1c(F)cc(F)cc1OC ZINC001332336692 807901882 /nfs/dbraw/zinc/90/18/82/807901882.db2.gz LCEDGXCDWCSTPJ-UHFFFAOYSA-N -1 0 310.278 -0.071 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC[S@](=O)CC(F)(F)F ZINC001332364281 807905874 /nfs/dbraw/zinc/90/58/74/807905874.db2.gz MORNAGOSOPRTEV-IBGZPJMESA-N -1 0 305.278 -0.726 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)[N-]O[C@@H]2CCCCO2)C1=O ZINC000931316601 807915071 /nfs/dbraw/zinc/91/50/71/807915071.db2.gz DHWOAXINMBCBLM-ZYHUDNBSSA-N -1 0 314.338 -0.028 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1cc(Br)nn1C ZINC000931518939 807925106 /nfs/dbraw/zinc/92/51/06/807925106.db2.gz ALOCWGMYMZAANO-UHFFFAOYSA-N -1 0 306.120 -0.018 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000931679836 807934603 /nfs/dbraw/zinc/93/46/03/807934603.db2.gz ZJZOYQLEWSXENK-QWRGUYRKSA-N -1 0 310.358 -0.226 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000931820893 807937101 /nfs/dbraw/zinc/93/71/01/807937101.db2.gz OHGMJBJXCYORBV-GHMZBOCLSA-N -1 0 317.411 -0.623 20 0 DBADRM CNC(=O)C1(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001332590293 807945020 /nfs/dbraw/zinc/94/50/20/807945020.db2.gz CZJLFRAZLCBASF-MRVPVSSYSA-N -1 0 307.310 -0.724 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC1(c2ccccc2)CC1 ZINC001332593488 807945524 /nfs/dbraw/zinc/94/55/24/807945524.db2.gz PKBJAHHTQZSPFT-UHFFFAOYSA-N -1 0 305.334 -0.372 20 0 DBADRM CC[C@@H](CN1CCOCC1)NC(=O)C(=O)[N-]OCCSC ZINC000931943746 807950173 /nfs/dbraw/zinc/95/01/73/807950173.db2.gz HTYORYXUPKFVKJ-NSHDSACASA-N -1 0 319.427 -0.376 20 0 DBADRM CCOCCOCC(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001332620209 807951991 /nfs/dbraw/zinc/95/19/91/807951991.db2.gz BGMATLJQPKWYMR-OAQYLSRUSA-N -1 0 321.395 -0.136 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCc1cc(C)n(C)n1 ZINC000932243648 807961505 /nfs/dbraw/zinc/96/15/05/807961505.db2.gz CADQEIOFLZNXLT-UHFFFAOYSA-N -1 0 300.384 -0.202 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCSC(F)(F)F ZINC001332770259 807976222 /nfs/dbraw/zinc/97/62/22/807976222.db2.gz SDHOWMMUIXDCTD-UHFFFAOYSA-N -1 0 317.289 -0.461 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC001332792003 807978991 /nfs/dbraw/zinc/97/89/91/807978991.db2.gz WBQQDNJOOXEMHG-QMMMGPOBSA-N -1 0 307.297 -0.136 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](CC)[C@H]1CCCO1 ZINC001332803070 807980935 /nfs/dbraw/zinc/98/09/35/807980935.db2.gz OMALLBXBQKEVKD-VHSXEESVSA-N -1 0 301.343 -0.756 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCCOC1CCOCC1 ZINC000932835674 807981352 /nfs/dbraw/zinc/98/13/52/807981352.db2.gz OWXZPOIRDMOGMK-UHFFFAOYSA-N -1 0 304.343 -0.618 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001332814716 807982537 /nfs/dbraw/zinc/98/25/37/807982537.db2.gz CXXQSBWBHQVDQM-VIFPVBQESA-N -1 0 300.359 -0.390 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1cccc(OC)c1 ZINC001332844333 807986649 /nfs/dbraw/zinc/98/66/49/807986649.db2.gz WPYPLZIYYVJBLG-UHFFFAOYSA-N -1 0 323.349 -0.163 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](OC(C)C)C1 ZINC001332840381 807986933 /nfs/dbraw/zinc/98/69/33/807986933.db2.gz AEMSSHJZPORFNU-SNVBAGLBSA-N -1 0 301.343 -0.804 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)C1CCC(F)CC1 ZINC001333130102 808018609 /nfs/dbraw/zinc/01/86/09/808018609.db2.gz LTCCRUSQWCRAJE-IDKOKCKLSA-N -1 0 303.334 -0.187 20 0 DBADRM CCN1C[C@H](CNC(=O)C(=O)NCCCCC(=O)[O-])CC1=O ZINC001333166034 808022939 /nfs/dbraw/zinc/02/29/39/808022939.db2.gz JRHWMFLPHGJLLV-JTQLQIEISA-N -1 0 313.354 -0.658 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC1CCC(F)(F)CC1 ZINC001333193706 808027423 /nfs/dbraw/zinc/02/74/23/808027423.db2.gz SOTVDYOAJNHQJR-UHFFFAOYSA-N -1 0 307.297 -0.278 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@H](CO)OC[C@@H]2C)cc1=O ZINC000934877632 808030942 /nfs/dbraw/zinc/03/09/42/808030942.db2.gz RTEGZXKPMKNZKX-WCQYABFASA-N -1 0 311.382 -0.017 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC(Cc2cccs2)C1 ZINC001333333834 808045469 /nfs/dbraw/zinc/04/54/69/808045469.db2.gz GAQDUXMZHASHIO-UHFFFAOYSA-N -1 0 311.363 -0.457 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCCc2sccc2C1 ZINC001333335922 808046778 /nfs/dbraw/zinc/04/67/78/808046778.db2.gz QODTXLCCSOSFJO-UHFFFAOYSA-N -1 0 311.363 -0.183 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001333516850 808070644 /nfs/dbraw/zinc/07/06/44/808070644.db2.gz YYKZAEUTRVHZMC-QFWYVNQISA-N -1 0 313.335 -0.399 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC001333563649 808076742 /nfs/dbraw/zinc/07/67/42/808076742.db2.gz NVKOXZRFFUGMCP-MGCOHNPYSA-N -1 0 323.324 -0.018 20 0 DBADRM C[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])c1nnnn1C1CC1 ZINC001333613342 808081696 /nfs/dbraw/zinc/08/16/96/808081696.db2.gz CYGSEHJBITWTAR-SSDOTTSWSA-N -1 0 310.314 -0.834 20 0 DBADRM Cc1ncncc1C(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000938238045 808086604 /nfs/dbraw/zinc/08/66/04/808086604.db2.gz OJVYAKDRCQONHP-VIFPVBQESA-N -1 0 301.310 -0.452 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001333659410 808086641 /nfs/dbraw/zinc/08/66/41/808086641.db2.gz YDYHSNXFIGXUHN-ZDUSSCGKSA-N -1 0 311.382 -0.232 20 0 DBADRM O=C(Cc1cncnc1)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000938238481 808087235 /nfs/dbraw/zinc/08/72/35/808087235.db2.gz XLVRBBOTUIPXAF-JTQLQIEISA-N -1 0 301.310 -0.832 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cn2c(n1)CCC2 ZINC001038271317 815173492 /nfs/dbraw/zinc/17/34/92/815173492.db2.gz BIIFATUKYBRPNA-VIFPVBQESA-N -1 0 317.353 -0.343 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1cc(Cl)cn1C ZINC001333774568 808096327 /nfs/dbraw/zinc/09/63/27/808096327.db2.gz KAFXUFCDHGPLHT-UHFFFAOYSA-N -1 0 316.745 -0.569 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2ccc(F)cc2C1 ZINC001333775674 808096629 /nfs/dbraw/zinc/09/66/29/808096629.db2.gz ROCYXFASVGNURS-UHFFFAOYSA-N -1 0 309.297 -0.496 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](C)N(C)c1ccccc1 ZINC001333788213 808097948 /nfs/dbraw/zinc/09/79/48/808097948.db2.gz YFSZRFUEYPXYJH-LLVKDONJSA-N -1 0 322.365 -0.579 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2C[C@H]2C2CC2)C1 ZINC001333831297 808101466 /nfs/dbraw/zinc/10/14/66/808101466.db2.gz VKBGLTBGNBQMMD-RWSFTLGLSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)NC(=O)C1CC=CC1 ZINC001333870008 808105947 /nfs/dbraw/zinc/10/59/47/808105947.db2.gz NTZVTXJJWSBCSX-BDAKNGLRSA-N -1 0 323.353 -0.335 20 0 DBADRM C[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000947077429 808170455 /nfs/dbraw/zinc/17/04/55/808170455.db2.gz BRTVWWYRVVIBLA-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM COCCN(C(=O)C(=O)NCC(=O)[N-]OC)[C@H]1CC[C@H](C)C1 ZINC001334510219 808173869 /nfs/dbraw/zinc/17/38/69/808173869.db2.gz KUSGIGKSAGHATE-QWRGUYRKSA-N -1 0 315.370 -0.556 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001334530359 808175509 /nfs/dbraw/zinc/17/55/09/808175509.db2.gz IBMRBLZWTOEBGH-KOLCDFICSA-N -1 0 310.358 -0.256 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCO[C@@H](C(F)F)C1 ZINC001334528929 808175652 /nfs/dbraw/zinc/17/56/52/808175652.db2.gz BDFCTBAQFQPPQX-SSDOTTSWSA-N -1 0 306.273 -0.789 20 0 DBADRM CC(=O)NC1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC000947373144 808189953 /nfs/dbraw/zinc/18/99/53/808189953.db2.gz OMYOWZFNLKZNRO-UHFFFAOYSA-N -1 0 309.326 -0.658 20 0 DBADRM CCOCCOCCN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001334715624 808194427 /nfs/dbraw/zinc/19/44/27/808194427.db2.gz AHDXQHDQFICGDY-HNNXBMFYSA-N -1 0 316.398 -0.099 20 0 DBADRM O=C([N-]OCc1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001334823606 808205199 /nfs/dbraw/zinc/20/51/99/808205199.db2.gz ZFDPDAHLDRQGRW-NSHDSACASA-N -1 0 312.347 -0.462 20 0 DBADRM CC(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000947592383 808206004 /nfs/dbraw/zinc/20/60/04/808206004.db2.gz SJWQMZPMFBVNFS-MWLCHTKSSA-N -1 0 322.365 -0.281 20 0 DBADRM CC[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000947600481 808206438 /nfs/dbraw/zinc/20/64/38/808206438.db2.gz DJTBLYSNSORAKI-IWSPIJDZSA-N -1 0 323.353 -0.094 20 0 DBADRM CC[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000947600480 808206813 /nfs/dbraw/zinc/20/68/13/808206813.db2.gz DJTBLYSNSORAKI-DJLDLDEBSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2cnon2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947831939 808230411 /nfs/dbraw/zinc/23/04/11/808230411.db2.gz CJNHMINHTATFQP-HTQZYQBOSA-N -1 0 307.314 -0.324 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCO[C@](C)(C(F)F)C1 ZINC001335085110 808234159 /nfs/dbraw/zinc/23/41/59/808234159.db2.gz XLJPZKUENHCAFC-NSHDSACASA-N -1 0 320.300 -0.399 20 0 DBADRM CC[C@H]1COC(C)(C)CN1C(=O)C(=O)NCC(=O)[N-]OC ZINC001335143583 808243940 /nfs/dbraw/zinc/24/39/40/808243940.db2.gz IUFBZIJGDIXBFT-VIFPVBQESA-N -1 0 301.343 -0.804 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2sccc2[C@@H]1C ZINC001335145363 808244067 /nfs/dbraw/zinc/24/40/67/808244067.db2.gz UJHSTMZVRHMDLR-QMMMGPOBSA-N -1 0 311.363 -0.012 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1cc2c([nH]c1=O)CCC2)C(=O)[O-] ZINC001335156350 808245719 /nfs/dbraw/zinc/24/57/19/808245719.db2.gz MHFYINIGTCWQIA-QMMMGPOBSA-N -1 0 321.333 -0.271 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001335218051 808256205 /nfs/dbraw/zinc/25/62/05/808256205.db2.gz VYIXIXRSTIHOLB-UHFFFAOYSA-N -1 0 309.326 -0.763 20 0 DBADRM COc1ccc(CCNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])cn1 ZINC001335216352 808256839 /nfs/dbraw/zinc/25/68/39/808256839.db2.gz KIYZIXBDRIXBAW-JTQLQIEISA-N -1 0 323.349 -0.072 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001335218132 808256869 /nfs/dbraw/zinc/25/68/69/808256869.db2.gz YDTMCWXJTVKHLD-SQSQXLIZSA-N -1 0 318.395 -0.561 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)Cn2ccnc2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000948089587 808263285 /nfs/dbraw/zinc/26/32/85/808263285.db2.gz CXVFBFCORQNMLM-GHMZBOCLSA-N -1 0 319.369 -0.124 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1 ZINC000948100159 808265388 /nfs/dbraw/zinc/26/53/88/808265388.db2.gz PXTPOKGBEZAKHL-APPZFPTMSA-N -1 0 321.341 -0.015 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2C3CCC2(CO)CC3)C1 ZINC001335267143 808269768 /nfs/dbraw/zinc/26/97/68/808269768.db2.gz KZHYPZDLNGXYBF-NLTNOIMHSA-N -1 0 310.350 -0.175 20 0 DBADRM Cn1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)ccc1=O ZINC001038446331 815193605 /nfs/dbraw/zinc/19/36/05/815193605.db2.gz QGKPVWBTFUTHDG-JTQLQIEISA-N -1 0 318.337 -0.787 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)c1ccco1 ZINC000948702426 808318964 /nfs/dbraw/zinc/31/89/64/808318964.db2.gz CSLONRYYAUVALA-SSDOTTSWSA-N -1 0 319.277 -0.480 20 0 DBADRM O=C(C[C@H]1CCC(=O)NC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948719460 808320703 /nfs/dbraw/zinc/32/07/03/808320703.db2.gz GPJIOSJFVNAMFJ-SNVBAGLBSA-N -1 0 322.369 -0.929 20 0 DBADRM Cc1nnccc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038461369 815196218 /nfs/dbraw/zinc/19/62/18/815196218.db2.gz FJTAKMDJTGONRT-SECBINFHSA-N -1 0 303.326 -0.387 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001336096041 808342463 /nfs/dbraw/zinc/34/24/63/808342463.db2.gz LNYOOAOVQVOVMA-ZCFIWIBFSA-N -1 0 310.236 -0.882 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N(C)CCCOC(C)C ZINC001336137728 808346445 /nfs/dbraw/zinc/34/64/45/808346445.db2.gz SLSNSNPLSYYRSH-UHFFFAOYSA-N -1 0 300.363 -0.008 20 0 DBADRM Cc1cnc(CN2CC[C@@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001038465241 815197750 /nfs/dbraw/zinc/19/77/50/815197750.db2.gz LHGRHZUOKXPMJO-MRVPVSSYSA-N -1 0 320.309 -0.416 20 0 DBADRM COCCOCCN1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001336269873 808357447 /nfs/dbraw/zinc/35/74/47/808357447.db2.gz KDRSUDLVRHGUBS-UHFFFAOYSA-N -1 0 310.354 -0.040 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CCOC2)c1[O-] ZINC000949027912 808377695 /nfs/dbraw/zinc/37/76/95/808377695.db2.gz PQTFDMZHNXTCML-ZJUUUORDSA-N -1 0 308.338 -0.209 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1nnc2ccccn21 ZINC001336533121 808386246 /nfs/dbraw/zinc/38/62/46/808386246.db2.gz BNRVTMQNNHBQTQ-ZCFIWIBFSA-N -1 0 301.266 -0.184 20 0 DBADRM CCOc1nc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)co1 ZINC000949107192 808395309 /nfs/dbraw/zinc/39/53/09/808395309.db2.gz YKBSKKUAYZGJMT-UHFFFAOYSA-N -1 0 322.325 -0.145 20 0 DBADRM Cc1conc1CN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000949111452 808396103 /nfs/dbraw/zinc/39/61/03/808396103.db2.gz VXFLFCRHDUVDHI-UHFFFAOYSA-N -1 0 320.309 -0.463 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(Cc2cscn2)CC1 ZINC000949111458 808396139 /nfs/dbraw/zinc/39/61/39/808396139.db2.gz WCRYQRMFDYDQKW-UHFFFAOYSA-N -1 0 322.350 -0.303 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(CC(N)=O)CC2)cc1=O ZINC000949141179 808406801 /nfs/dbraw/zinc/40/68/01/808406801.db2.gz REDUXWZMBHEVSA-UHFFFAOYSA-N -1 0 323.397 -0.996 20 0 DBADRM CO[C@H](CNC(=O)C(=O)NCCCCC(=O)[O-])[C@H]1CCOC1 ZINC001336962597 808427668 /nfs/dbraw/zinc/42/76/68/808427668.db2.gz XSAYPQOFPMVOHA-WDEREUQCSA-N -1 0 316.354 -0.475 20 0 DBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)NCc1nc(=O)o[n-]1)C2=O ZINC001337049984 808433295 /nfs/dbraw/zinc/43/32/95/808433295.db2.gz IUGDHDBQJIRRGL-UHFFFAOYSA-N -1 0 316.273 -0.416 20 0 DBADRM O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949360508 808444800 /nfs/dbraw/zinc/44/48/00/808444800.db2.gz NFFIITVGJCRPRY-GMXVVIOVSA-N -1 0 321.381 -0.030 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)C(=O)Nc1ccc2c(c1)COC2 ZINC001337450244 808455193 /nfs/dbraw/zinc/45/51/93/808455193.db2.gz LTQPJZSLWVEZOA-UHFFFAOYSA-N -1 0 303.278 -0.205 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2cn[nH]n2)c1[O-] ZINC000949401150 808455309 /nfs/dbraw/zinc/45/53/09/808455309.db2.gz VKPLWZTZJVJOFH-SSDOTTSWSA-N -1 0 305.298 -0.814 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2cnn(C)c2)c1[O-] ZINC000949426883 808458774 /nfs/dbraw/zinc/45/87/74/808458774.db2.gz SRFZMDZWGNWEJG-JTQLQIEISA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)C2=COCCO2)c1[O-] ZINC000949426434 808458909 /nfs/dbraw/zinc/45/89/09/808458909.db2.gz OLZWYMNPDFSTKU-SECBINFHSA-N -1 0 322.321 -0.357 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC000949433855 808461213 /nfs/dbraw/zinc/46/12/13/808461213.db2.gz CRDYQRYCIOYOGG-BDAKNGLRSA-N -1 0 321.337 -0.967 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2nc[nH]n2)c1[O-] ZINC000949434176 808461250 /nfs/dbraw/zinc/46/12/50/808461250.db2.gz HHFXXFHKEFEPIH-SSDOTTSWSA-N -1 0 305.298 -0.814 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC[C@H](OC2CCC2)C1 ZINC001337578000 808470115 /nfs/dbraw/zinc/47/01/15/808470115.db2.gz LYXDUEYNLGCSDU-NSHDSACASA-N -1 0 310.358 -0.111 20 0 DBADRM O=C([C@H]1CCNC(=O)CC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949488719 808470750 /nfs/dbraw/zinc/47/07/50/808470750.db2.gz OXLPWJIAOMLRFU-SNVBAGLBSA-N -1 0 322.369 -0.929 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)Nc1cc(F)cc(N(C)C)c1 ZINC001337671621 808484482 /nfs/dbraw/zinc/48/44/82/808484482.db2.gz RHVGDIQQNXIILM-UHFFFAOYSA-N -1 0 312.301 -0.376 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000949635033 808501175 /nfs/dbraw/zinc/50/11/75/808501175.db2.gz ZTIODJTVZGHPSG-VIFPVBQESA-N -1 0 309.326 -0.794 20 0 DBADRM COCCO[C@H]1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2C)C1 ZINC001338237392 808526881 /nfs/dbraw/zinc/52/68/81/808526881.db2.gz NUMOVXHFQCGQCO-VIFPVBQESA-N -1 0 308.342 -0.719 20 0 DBADRM COCCCN(CCOC)c1nnc(-c2cc(=O)[nH][n-]2)n1C ZINC001338235538 808527150 /nfs/dbraw/zinc/52/71/50/808527150.db2.gz IHCCXLVFIDFNSR-UHFFFAOYSA-N -1 0 310.358 -0.472 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)C(=O)NCC(=O)[N-]OC)C(F)(F)F ZINC001338440467 808542942 /nfs/dbraw/zinc/54/29/42/808542942.db2.gz PFZZFVMPRMOKRU-HTRCEHHLSA-N -1 0 313.276 -0.127 20 0 DBADRM Cc1cnn(C)c1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038613045 815216725 /nfs/dbraw/zinc/21/67/25/815216725.db2.gz WUCQPDUZHAIJAZ-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1cnn(C)c1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038613044 815216778 /nfs/dbraw/zinc/21/67/78/815216778.db2.gz WUCQPDUZHAIJAZ-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM CC(C)=CC(=O)N1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000949865841 808555980 /nfs/dbraw/zinc/55/59/80/808555980.db2.gz WHBIFPZVZHZJGV-SECBINFHSA-N -1 0 321.337 -0.030 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC001338724909 808565566 /nfs/dbraw/zinc/56/55/66/808565566.db2.gz WWRNTKZCACQAGE-UHFFFAOYSA-N -1 0 303.278 -0.656 20 0 DBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)[N-]OC[C@H]1CCOC1 ZINC001338845785 808569548 /nfs/dbraw/zinc/56/95/48/808569548.db2.gz MGKUCKZGCCYVOI-UWVGGRQHSA-N -1 0 309.409 -0.009 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC001339252134 808584889 /nfs/dbraw/zinc/58/48/89/808584889.db2.gz SMFOZMGRZLUMCV-UHFFFAOYSA-N -1 0 315.215 -0.132 20 0 DBADRM CC(C)C(=O)N1CC=C(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001339546355 808593331 /nfs/dbraw/zinc/59/33/31/808593331.db2.gz RNZXEJDFXZPNTL-UHFFFAOYSA-N -1 0 323.353 -0.380 20 0 DBADRM CO[C@@H](CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)CC(C)C ZINC001339948721 808611727 /nfs/dbraw/zinc/61/17/27/808611727.db2.gz YGYABOWXWMOBQA-LLVKDONJSA-N -1 0 315.370 -0.014 20 0 DBADRM C/C=C(/C)C(=O)N1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000950344627 808634347 /nfs/dbraw/zinc/63/43/47/808634347.db2.gz SXQBWCLSZTYGHS-KSXVILFYSA-N -1 0 323.353 -0.237 20 0 DBADRM CCN(C(=O)[C@]12C[C@H]1COC2)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950377165 808638004 /nfs/dbraw/zinc/63/80/04/808638004.db2.gz RTXPNCXLGLIQMZ-XPTSAGLGSA-N -1 0 307.354 -0.421 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC(O[C@H]2CCOC2)CC1 ZINC001340484148 808639308 /nfs/dbraw/zinc/63/93/08/808639308.db2.gz ODHSTHOEPBGBRO-NSHDSACASA-N -1 0 301.343 -0.357 20 0 DBADRM C[C@@H]1OCCN(C(=O)NCCOCCOCC(=O)[O-])[C@H]1C ZINC001340569345 808644172 /nfs/dbraw/zinc/64/41/72/808644172.db2.gz KCFUJJRRHZAWKW-QWRGUYRKSA-N -1 0 304.343 -0.077 20 0 DBADRM COC(C)(C)[C@@H](C)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001340584874 808644875 /nfs/dbraw/zinc/64/48/75/808644875.db2.gz HVUQRRDCRLIFNY-SECBINFHSA-N -1 0 301.343 -0.262 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCC(=O)N1CCC[C@@H](C)C1 ZINC001340603744 808646782 /nfs/dbraw/zinc/64/67/82/808646782.db2.gz HSAHQIMHHNAQBS-SNVBAGLBSA-N -1 0 300.359 -0.388 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC001340973197 808665490 /nfs/dbraw/zinc/66/54/90/808665490.db2.gz GCAHRNCITDSDEE-ZETCQYMHSA-N -1 0 315.276 -0.064 20 0 DBADRM CCN(C(=O)[C@H]1CCCNC1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950559850 808674806 /nfs/dbraw/zinc/67/48/06/808674806.db2.gz FQVKGQWMMLBMNS-JTQLQIEISA-N -1 0 322.369 -0.931 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)N[C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC001341326751 808679573 /nfs/dbraw/zinc/67/95/73/808679573.db2.gz OVLDDLXBTKRLPM-GHMZBOCLSA-N -1 0 311.338 -0.508 20 0 DBADRM C[C@@H]1COCCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001341327727 808679794 /nfs/dbraw/zinc/67/97/94/808679794.db2.gz KADYBBMVJATTJT-NSHDSACASA-N -1 0 304.343 -0.218 20 0 DBADRM O=C(Cn1cnc(-c2ccccc2)n1)NCc1nc(=O)o[n-]1 ZINC001341585184 808691196 /nfs/dbraw/zinc/69/11/96/808691196.db2.gz BMWZKXQERQXEBA-UHFFFAOYSA-N -1 0 300.278 -0.062 20 0 DBADRM CCn1nc(C)cc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000950674523 808691779 /nfs/dbraw/zinc/69/17/79/808691779.db2.gz UDQNGJPVTDVZEC-UHFFFAOYSA-N -1 0 319.369 -0.007 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)CC2 ZINC001341736727 808696867 /nfs/dbraw/zinc/69/68/67/808696867.db2.gz NFIFVOUMWLBARQ-MNOVXSKESA-N -1 0 323.353 -0.898 20 0 DBADRM CCC[C@]1(COC)CCCN1C(=O)C(=O)NCC(=O)[N-]OC ZINC001342029720 808712484 /nfs/dbraw/zinc/71/24/84/808712484.db2.gz LVZMLYUDZQTLFC-CQSZACIVSA-N -1 0 315.370 -0.412 20 0 DBADRM Cc1nonc1C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC000950831780 808718107 /nfs/dbraw/zinc/71/81/07/808718107.db2.gz UMMJUBGHRARXKE-MRVPVSSYSA-N -1 0 320.309 -0.240 20 0 DBADRM Cc1cc(=O)c(COC(=O)CCCN2C(=O)CNC2=O)n[n-]1 ZINC001342679417 808739285 /nfs/dbraw/zinc/73/92/85/808739285.db2.gz COGUAQOVZSDBLP-UHFFFAOYSA-N -1 0 308.294 -0.134 20 0 DBADRM CCN(C(=O)[C@@H]1CCC(=O)N1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000951181321 808776068 /nfs/dbraw/zinc/77/60/68/808776068.db2.gz BHFMOYUEKNJPPY-JTQLQIEISA-N -1 0 322.369 -0.836 20 0 DBADRM CCC(=O)N[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000951198680 808780431 /nfs/dbraw/zinc/78/04/31/808780431.db2.gz ZQTRIJPXJXHKQC-PSASIEDQSA-N -1 0 323.353 -0.412 20 0 DBADRM COCC(=O)N1CC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000951222076 808782233 /nfs/dbraw/zinc/78/22/33/808782233.db2.gz FDOQHIZRMXVBBU-QMMMGPOBSA-N -1 0 320.305 -0.095 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297786 808794470 /nfs/dbraw/zinc/79/44/70/808794470.db2.gz JVKHUMOXKLSVGT-IWSPIJDZSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)c1ccoc1)c1n[nH]c(=O)[n-]c1=O ZINC000951298128 808794739 /nfs/dbraw/zinc/79/47/39/808794739.db2.gz RENNHCKYRWSGND-QMMMGPOBSA-N -1 0 319.277 -0.480 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297785 808794860 /nfs/dbraw/zinc/79/48/60/808794860.db2.gz JVKHUMOXKLSVGT-HRDYMLBCSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(F)(F)C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951295590 808794966 /nfs/dbraw/zinc/79/49/66/808794966.db2.gz CMGGLGDBUXXVDO-RXMQYKEDSA-N -1 0 317.252 -0.731 20 0 DBADRM CC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297605 808794975 /nfs/dbraw/zinc/79/49/75/808794975.db2.gz FOCZTGCGNVVJIK-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(C)[C@@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297818 808794985 /nfs/dbraw/zinc/79/49/85/808794985.db2.gz KLRVEXAMIAGBIZ-RKDXNWHRSA-N -1 0 323.353 -0.094 20 0 DBADRM CC1(C(=O)N2CC[C@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000951300740 808795420 /nfs/dbraw/zinc/79/54/20/808795420.db2.gz XJCYMDGXHQYXML-ZETCQYMHSA-N -1 0 307.310 -0.586 20 0 DBADRM CC[C@@H](F)C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951300509 808795676 /nfs/dbraw/zinc/79/56/76/808795676.db2.gz RZMHEVQKEBNYOM-RNFRBKRXSA-N -1 0 313.289 -0.638 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC000951382233 808808877 /nfs/dbraw/zinc/80/88/77/808808877.db2.gz WSORHUXQYINMIY-BDAKNGLRSA-N -1 0 321.337 -0.967 20 0 DBADRM O=C(CC1CC1)N[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000951461401 808825171 /nfs/dbraw/zinc/82/51/71/808825171.db2.gz OVDUGWMHPXHAOK-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951478096 808831811 /nfs/dbraw/zinc/83/18/11/808831811.db2.gz BXJFHFUCIOZWDS-GJMOJQLCSA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000951513669 808835179 /nfs/dbraw/zinc/83/51/79/808835179.db2.gz ZDRAQJCYUGZIID-KXUCPTDWSA-N -1 0 323.353 -0.548 20 0 DBADRM CC1(C(=O)N[C@@H]2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000951512375 808835439 /nfs/dbraw/zinc/83/54/39/808835439.db2.gz GZLPFALFQSGZOU-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000951513670 808835444 /nfs/dbraw/zinc/83/54/44/808835444.db2.gz ZDRAQJCYUGZIID-OPRDCNLKSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC000951550238 808842551 /nfs/dbraw/zinc/84/25/51/808842551.db2.gz MKMJFIOAUCYAOB-SNVBAGLBSA-N -1 0 305.338 -0.839 20 0 DBADRM CCN(C(=O)c1cn(C)c(=O)[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000951616294 808861921 /nfs/dbraw/zinc/86/19/21/808861921.db2.gz GQGFUOWZEFZWTP-UHFFFAOYSA-N -1 0 321.341 -0.704 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2ccncn2)c1[O-] ZINC000951740152 808887892 /nfs/dbraw/zinc/88/78/92/808887892.db2.gz JMSITZKKLYFAEB-SECBINFHSA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2cnon2)c1[O-] ZINC000951753613 808891620 /nfs/dbraw/zinc/89/16/20/808891620.db2.gz USTVKPGRQUWDLC-SSDOTTSWSA-N -1 0 306.282 -0.549 20 0 DBADRM COc1cncc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001038782081 815245720 /nfs/dbraw/zinc/24/57/20/815245720.db2.gz NEFUZNBJQNWWKD-QMMMGPOBSA-N -1 0 319.325 -0.687 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CC12CC2 ZINC000952248587 808978224 /nfs/dbraw/zinc/97/82/24/808978224.db2.gz NLIOENKUOAUZLS-JGVFFNPUSA-N -1 0 319.321 -0.586 20 0 DBADRM CCn1ncc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1C ZINC000952380948 808985122 /nfs/dbraw/zinc/98/51/22/808985122.db2.gz IGRDWDKUHMCYQH-UHFFFAOYSA-N -1 0 319.369 -0.007 20 0 DBADRM Cc1n[nH]c(C)c1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038828712 815253873 /nfs/dbraw/zinc/25/38/73/815253873.db2.gz DJEBMVSRJCEDGX-SECBINFHSA-N -1 0 305.342 -0.145 20 0 DBADRM CC(=O)N1CCC[C@]2(CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000952929712 809009488 /nfs/dbraw/zinc/00/94/88/809009488.db2.gz LRDVGYCAMLUCMP-AWEZNQCLSA-N -1 0 323.353 -0.450 20 0 DBADRM CC(=O)N1CCC[C@@]2(CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000952928561 809009850 /nfs/dbraw/zinc/00/98/50/809009850.db2.gz JTTHMQXSUGOXDE-CQSZACIVSA-N -1 0 321.337 -0.243 20 0 DBADRM CCC(=O)N1CC[C@]2(CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000953013850 809013694 /nfs/dbraw/zinc/01/36/94/809013694.db2.gz HENROTYUXCBOFG-AWEZNQCLSA-N -1 0 323.353 -0.450 20 0 DBADRM CC(=O)N1CC[C@@]2(CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000953021125 809014127 /nfs/dbraw/zinc/01/41/27/809014127.db2.gz ZWRKNRMSOWFQDC-CYBMUJFWSA-N -1 0 309.326 -0.840 20 0 DBADRM CCC(=O)N1CC[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000953215906 809023561 /nfs/dbraw/zinc/02/35/61/809023561.db2.gz BUBZEZROIFPHLR-IUCAKERBSA-N -1 0 321.337 -0.244 20 0 DBADRM CCC(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000953387064 809038495 /nfs/dbraw/zinc/03/84/95/809038495.db2.gz SCZBYJITNVEMPT-UWVGGRQHSA-N -1 0 323.353 -0.451 20 0 DBADRM CC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000953496707 809051534 /nfs/dbraw/zinc/05/15/34/809051534.db2.gz YSJNXAJOPZCGPZ-APPZFPTMSA-N -1 0 309.326 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H]2CCCCN2C(=O)C(N)=O)c1[O-] ZINC000953650046 809064023 /nfs/dbraw/zinc/06/40/23/809064023.db2.gz XGNXWMAFPGJYIQ-APPZFPTMSA-N -1 0 323.353 -0.592 20 0 DBADRM CCCn1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001038855473 815259546 /nfs/dbraw/zinc/25/95/46/815259546.db2.gz DMCJEOLQNSYOCB-SECBINFHSA-N -1 0 320.357 -0.484 20 0 DBADRM COc1ncc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001038879845 815263244 /nfs/dbraw/zinc/26/32/44/815263244.db2.gz ZSPGHBUCRSQABZ-VIFPVBQESA-N -1 0 319.325 -0.687 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3cn(C)cn3)C2)c1[O-] ZINC000954069812 809154450 /nfs/dbraw/zinc/15/44/50/809154450.db2.gz GCAGIRDDWOJYHN-UHFFFAOYSA-N -1 0 318.337 -0.246 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)[C@H]3COCCO3)C2)c1[O-] ZINC000954068862 809154730 /nfs/dbraw/zinc/15/47/30/809154730.db2.gz UFTSPRBZIIIPOT-SNVBAGLBSA-N -1 0 324.337 -0.878 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3ccncn3)C2)c1[O-] ZINC000954070666 809154779 /nfs/dbraw/zinc/15/47/79/809154779.db2.gz YCUOCFKFQZLGBP-UHFFFAOYSA-N -1 0 316.321 -0.190 20 0 DBADRM C[C@@H](C(N)=O)N1CC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001038924281 815267401 /nfs/dbraw/zinc/26/74/01/815267401.db2.gz ZICNNMBLIQTZNA-JGVFFNPUSA-N -1 0 319.321 -0.394 20 0 DBADRM NC(=O)CN1CC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001038924139 815267944 /nfs/dbraw/zinc/26/79/44/815267944.db2.gz XAEYNMNGXZJYAQ-SSDOTTSWSA-N -1 0 305.294 -0.782 20 0 DBADRM CN(C(=O)c1c[n-]n2c1nccc2=O)C1CN(C(=O)C2CC2)C1 ZINC000954306892 809210145 /nfs/dbraw/zinc/21/01/45/809210145.db2.gz NZDFCVXRBBEARD-UHFFFAOYSA-N -1 0 315.333 -0.285 20 0 DBADRM Cc1nn(C)c(F)c1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038964550 815273733 /nfs/dbraw/zinc/27/37/33/815273733.db2.gz JDZJEBHECPHQTQ-MRVPVSSYSA-N -1 0 323.332 -0.304 20 0 DBADRM CC(=O)N1CC[C@H](C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001038969932 815274369 /nfs/dbraw/zinc/27/43/69/815274369.db2.gz GJMDIBXFJGXOMQ-WDEREUQCSA-N -1 0 322.369 -0.931 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038984628 815276449 /nfs/dbraw/zinc/27/64/49/815276449.db2.gz PSTIYGIUBCNFOX-NXEZZACHSA-N -1 0 322.369 -0.788 20 0 DBADRM CCC1(C(=O)N2CC(N(C)C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000954877166 809304984 /nfs/dbraw/zinc/30/49/84/809304984.db2.gz OKTSMAHAMMALSA-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)[C@@H]2CC23CC3)C1 ZINC000954880739 809305420 /nfs/dbraw/zinc/30/54/20/809305420.db2.gz WIMLNNDXKCXSJV-QMMMGPOBSA-N -1 0 319.321 -0.634 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)[C@H]2CC23CC3)C1 ZINC000954880738 809305558 /nfs/dbraw/zinc/30/55/58/809305558.db2.gz WIMLNNDXKCXSJV-MRVPVSSYSA-N -1 0 319.321 -0.634 20 0 DBADRM C[C@@H](C(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000954934037 809311439 /nfs/dbraw/zinc/31/14/39/809311439.db2.gz QPZPMVGJALNIPR-MRVPVSSYSA-N -1 0 323.353 -0.595 20 0 DBADRM CCC1(C(=O)N2CC(N(C)C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000954933869 809311537 /nfs/dbraw/zinc/31/15/37/809311537.db2.gz JTLRFLFNJAVBNZ-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954934088 809311857 /nfs/dbraw/zinc/31/18/57/809311857.db2.gz RPSZYANYXAMIBK-DTWKUNHWSA-N -1 0 323.353 -0.595 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)CC2CC2)C1 ZINC000954933600 809311921 /nfs/dbraw/zinc/31/19/21/809311921.db2.gz DVJQDRKRSBYQFX-UHFFFAOYSA-N -1 0 309.326 -0.841 20 0 DBADRM CC[C@H](F)C(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954939078 809312346 /nfs/dbraw/zinc/31/23/46/809312346.db2.gz UAKOCANJUVTPBY-QMMMGPOBSA-N -1 0 315.305 -0.893 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)[C@H]2CC23CC3)C1 ZINC000954939073 809312669 /nfs/dbraw/zinc/31/26/69/809312669.db2.gz TWCYGSLFOFJQKL-SECBINFHSA-N -1 0 321.337 -0.841 20 0 DBADRM C/C=C(\C)C(=O)N1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000954951009 809316804 /nfs/dbraw/zinc/31/68/04/809316804.db2.gz IWDUCJRJMAETLC-WEVVVXLNSA-N -1 0 320.349 -0.265 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)Cc3ncc[nH]3)C2)c1[O-] ZINC000955112591 809358910 /nfs/dbraw/zinc/35/89/10/809358910.db2.gz YUAKKCASIHGUNB-UHFFFAOYSA-N -1 0 318.337 -0.328 20 0 DBADRM CN(C(=O)C(C)(C)C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000955273472 809386744 /nfs/dbraw/zinc/38/67/44/809386744.db2.gz LMHFRTKBFJDPGP-UHFFFAOYSA-N -1 0 322.365 -0.185 20 0 DBADRM CCCC(=O)N1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000955858158 809458463 /nfs/dbraw/zinc/45/84/63/809458463.db2.gz UXOJIQWZWZNKHF-QMMMGPOBSA-N -1 0 309.326 -0.196 20 0 DBADRM CCc1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1C ZINC001039085773 815292516 /nfs/dbraw/zinc/29/25/16/815292516.db2.gz VYLHUJYMFCVBNO-JTQLQIEISA-N -1 0 319.369 -0.190 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000956120206 809488304 /nfs/dbraw/zinc/48/83/04/809488304.db2.gz OGEPOZJTCCIJHO-CIUDSAMLSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)NC1(C)CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000956255059 809506440 /nfs/dbraw/zinc/50/64/40/809506440.db2.gz BQVRUIAILLECIH-UHFFFAOYSA-N -1 0 308.338 -0.383 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(C)CCN(C(=O)CC(N)=O)CC2)c1[O-] ZINC000956341163 809509297 /nfs/dbraw/zinc/50/92/97/809509297.db2.gz OCCLBYAERRJHBS-UHFFFAOYSA-N -1 0 323.353 -0.590 20 0 DBADRM CC(=O)N[C@]1(C)CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000956614035 809529696 /nfs/dbraw/zinc/52/96/96/809529696.db2.gz MQNQXXXIWJQYMO-CQSZACIVSA-N -1 0 303.322 -0.237 20 0 DBADRM CC(=O)N[C@@]1(C)CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000956614021 809529876 /nfs/dbraw/zinc/52/98/76/809529876.db2.gz MQNQXXXIWJQYMO-AWEZNQCLSA-N -1 0 303.322 -0.237 20 0 DBADRM Cc1cc(=O)c(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c[nH]1 ZINC000957053096 809580493 /nfs/dbraw/zinc/58/04/93/809580493.db2.gz YELGUYXEMXPFLB-UHFFFAOYSA-N -1 0 318.337 -0.535 20 0 DBADRM COc1ccc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC000957073801 809583419 /nfs/dbraw/zinc/58/34/19/809583419.db2.gz MTIORUATPQASHD-UHFFFAOYSA-N -1 0 319.325 -0.733 20 0 DBADRM CC1(C(=O)N2CC[C@@](C)(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000957236417 809607874 /nfs/dbraw/zinc/60/78/74/809607874.db2.gz ZQVASMVCJWPRSJ-CQSZACIVSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957236117 809608230 /nfs/dbraw/zinc/60/82/30/809608230.db2.gz SUYKUWOQXYVSEC-RDOZXCAGSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(Cc2nccs2)CC1 ZINC000957472516 809647798 /nfs/dbraw/zinc/64/77/98/809647798.db2.gz DWUMNDBJBOKMCR-UHFFFAOYSA-N -1 0 324.366 -0.510 20 0 DBADRM C[C@H](F)CCN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000957473605 809648123 /nfs/dbraw/zinc/64/81/23/809648123.db2.gz AQSLUCJIYNVAEG-VIFPVBQESA-N -1 0 301.322 -0.418 20 0 DBADRM CC[C@@H](F)CN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000957474764 809648717 /nfs/dbraw/zinc/64/87/17/809648717.db2.gz ZJEIRNPZBXJPEF-SECBINFHSA-N -1 0 301.322 -0.418 20 0 DBADRM CC(=O)N1CC[C@@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC000957488084 809649222 /nfs/dbraw/zinc/64/92/22/809649222.db2.gz XZPOSSVQQMRHIQ-LLVKDONJSA-N -1 0 322.369 -0.977 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1CC1 ZINC000957528116 809652815 /nfs/dbraw/zinc/65/28/15/809652815.db2.gz VSVFFKAFNPBLMW-VXNVDRBHSA-N -1 0 309.326 -0.938 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3[C@@H](C)C(N)=O)c1[O-] ZINC001039545681 815312804 /nfs/dbraw/zinc/31/28/04/815312804.db2.gz MCTDGIWDXKBVFB-GARJFASQSA-N -1 0 321.381 -0.024 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CCCCC1 ZINC000957821432 809683749 /nfs/dbraw/zinc/68/37/49/809683749.db2.gz RKIPVYFUGAKPNW-VXGBXAGGSA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cccs1 ZINC000957839001 809688190 /nfs/dbraw/zinc/68/81/90/809688190.db2.gz VYQUOYRXLNDRBF-RKDXNWHRSA-N -1 0 323.378 -0.206 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccc[nH]1 ZINC000957869947 809698153 /nfs/dbraw/zinc/69/81/53/809698153.db2.gz YECIRSOUGYTKFV-PSASIEDQSA-N -1 0 306.326 -0.939 20 0 DBADRM CCn1nc(C)c(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000957929705 809721841 /nfs/dbraw/zinc/72/18/41/809721841.db2.gz BNLVCGUNAIAFCW-UHFFFAOYSA-N -1 0 320.357 -0.612 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC=CC1 ZINC000957943430 809724338 /nfs/dbraw/zinc/72/43/38/809724338.db2.gz HMNGDDMHSNWIKK-GHMZBOCLSA-N -1 0 307.354 -0.615 20 0 DBADRM Cc1ncoc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000957965658 809730057 /nfs/dbraw/zinc/73/00/57/809730057.db2.gz MAACHEOWQQVPEV-RKDXNWHRSA-N -1 0 322.325 -0.971 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(Cc3ccon3)C[C@@H]2O)c1[O-] ZINC000957974881 809731571 /nfs/dbraw/zinc/73/15/71/809731571.db2.gz JTTAJNPVJFPZTQ-ONGXEEELSA-N -1 0 321.337 -0.366 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3cnon3)C[C@H]2O)c1[O-] ZINC000957985566 809735273 /nfs/dbraw/zinc/73/52/73/809735273.db2.gz IPMQQCDQEGTLRU-PSASIEDQSA-N -1 0 322.325 -0.971 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)co1 ZINC000958015662 809743313 /nfs/dbraw/zinc/74/33/13/809743313.db2.gz NQYUUVHXXXCCLS-WDEREUQCSA-N -1 0 321.337 -0.366 20 0 DBADRM Cc1cc[nH]c1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000958025424 809745994 /nfs/dbraw/zinc/74/59/94/809745994.db2.gz SDGCSURZRRAVDR-UWVGGRQHSA-N -1 0 320.353 -0.630 20 0 DBADRM Cc1cc[nH]c1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958025425 809746166 /nfs/dbraw/zinc/74/61/66/809746166.db2.gz SDGCSURZRRAVDR-VHSXEESVSA-N -1 0 320.353 -0.630 20 0 DBADRM Cn1nccc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958371085 809882205 /nfs/dbraw/zinc/88/22/05/809882205.db2.gz SZMMFJMWGLXCIP-VROVMSAKSA-N -1 0 303.326 -0.896 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(Cc4nncn4C)C[C@H]32)c1[O-] ZINC000958584554 809967275 /nfs/dbraw/zinc/96/72/75/809967275.db2.gz TWMDIETXSUUKKM-JZYVYDRUSA-N -1 0 317.353 -0.588 20 0 DBADRM O=C(NC[C@@H]1CN(CCF)C[C@H]1O)c1ccc2oc(=O)nc-2[n-]1 ZINC000958583959 809967776 /nfs/dbraw/zinc/96/77/76/809967776.db2.gz MKZOXJUQQMJWAA-PSASIEDQSA-N -1 0 324.312 -0.080 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CN(C(=O)C(F)F)C[C@@H]2O)c1[O-] ZINC000958824969 810040939 /nfs/dbraw/zinc/04/09/39/810040939.db2.gz OUKABYGGPPQPEY-BQBZGAKWSA-N -1 0 318.280 -0.667 20 0 DBADRM CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000958895962 810057372 /nfs/dbraw/zinc/05/73/72/810057372.db2.gz NWQOYUOTDHVDQC-UWVGGRQHSA-N -1 0 320.305 -0.408 20 0 DBADRM CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000959221532 810086197 /nfs/dbraw/zinc/08/61/97/810086197.db2.gz IHJHYXIXXOXORG-WCBMZHEXSA-N -1 0 308.338 -0.527 20 0 DBADRM CCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000959299989 810093554 /nfs/dbraw/zinc/09/35/54/810093554.db2.gz ZVSWFGGAOXVLBI-SFYZADRCSA-N -1 0 309.326 -0.483 20 0 DBADRM CC(=O)N1C[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)[C@H](C)C1 ZINC000959303994 810094545 /nfs/dbraw/zinc/09/45/45/810094545.db2.gz DVOZLHAMEFIGTG-PSASIEDQSA-N -1 0 308.338 -0.670 20 0 DBADRM CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000959304007 810094552 /nfs/dbraw/zinc/09/45/52/810094552.db2.gz DVOZLHAMEFIGTG-SCZZXKLOSA-N -1 0 308.338 -0.670 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@@H]1C ZINC000959469062 810104402 /nfs/dbraw/zinc/10/44/02/810104402.db2.gz AWLALBNNIQDUIV-ONGXEEELSA-N -1 0 317.349 -0.133 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)C1CC1 ZINC000959531325 810108143 /nfs/dbraw/zinc/10/81/43/810108143.db2.gz OCYFGURFUQCVCI-PSASIEDQSA-N -1 0 323.353 -0.690 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC000959538746 810108745 /nfs/dbraw/zinc/10/87/45/810108745.db2.gz RNCSJPBWLDURIM-WCBMZHEXSA-N -1 0 308.338 -0.670 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)c1cnnn1C ZINC000960599418 810185649 /nfs/dbraw/zinc/18/56/49/810185649.db2.gz FZWWPPKQVJGCDN-VIFPVBQESA-N -1 0 320.357 -0.625 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)c1cn[nH]n1 ZINC000960723043 810193823 /nfs/dbraw/zinc/19/38/23/810193823.db2.gz DIWNEIPWTUHFNB-QMMMGPOBSA-N -1 0 306.330 -0.635 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)[C@H]1CCNC1=O ZINC000960802097 810201919 /nfs/dbraw/zinc/20/19/19/810201919.db2.gz NSYUNQSEXCFNSR-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3ccon3)C[C@H]21)c1n[nH]c(=O)[n-]c1=O ZINC000960812800 810203080 /nfs/dbraw/zinc/20/30/80/810203080.db2.gz ZYWMISAZJHQXJK-BRPSZJMVSA-N -1 0 318.293 -0.869 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)c1cnon1 ZINC000960944010 810213858 /nfs/dbraw/zinc/21/38/58/810213858.db2.gz PNWLEYOIIRGNKF-QMMMGPOBSA-N -1 0 307.314 -0.370 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)c1ccn(C)n1 ZINC000961009556 810217737 /nfs/dbraw/zinc/21/77/37/810217737.db2.gz JFGFFXBJEDRDAI-JTQLQIEISA-N -1 0 319.369 -0.020 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC000961136494 810235220 /nfs/dbraw/zinc/23/52/20/810235220.db2.gz DWSSNJHEFTWFSD-MNOVXSKESA-N -1 0 320.349 -0.408 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C(C)(F)F)[C@@H](O)C2)c1[O-] ZINC000961162629 810239939 /nfs/dbraw/zinc/23/99/39/810239939.db2.gz LGGUVAIEVNAYLL-RQJHMYQMSA-N -1 0 318.280 -0.620 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3ccc[nH]3)[C@@H](O)C2)c1[O-] ZINC000961528027 810301458 /nfs/dbraw/zinc/30/14/58/810301458.db2.gz JBGHUPDSVVCRMS-ZJUUUORDSA-N -1 0 319.321 -0.633 20 0 DBADRM Cc1ccn(CC(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)n1 ZINC000961820668 810381460 /nfs/dbraw/zinc/38/14/60/810381460.db2.gz VSFKHBMJRVWUJF-IWIIMEHWSA-N -1 0 317.353 -0.738 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C3CC=CC3)[C@@H](O)C2)c1[O-] ZINC000961992816 810418339 /nfs/dbraw/zinc/41/83/39/810418339.db2.gz LWLWOFQLWBBAIN-MNOVXSKESA-N -1 0 320.349 -0.309 20 0 DBADRM CC(=O)N[C@H]1CC12CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC000962296050 810498855 /nfs/dbraw/zinc/49/88/55/810498855.db2.gz BCLGCNWZFAFRDT-QMMMGPOBSA-N -1 0 307.310 -0.586 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@@H]2O)c1[O-] ZINC000962303230 810502194 /nfs/dbraw/zinc/50/21/94/810502194.db2.gz LOAOMLMNABEZCX-ZJUUUORDSA-N -1 0 308.338 -0.475 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C(C)(C)C)C[C@@H]2O)c1[O-] ZINC000962306262 810503003 /nfs/dbraw/zinc/50/30/03/810503003.db2.gz BJLRUQIEAIWQGR-BDAKNGLRSA-N -1 0 310.354 -0.229 20 0 DBADRM CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000962530909 810544905 /nfs/dbraw/zinc/54/49/05/810544905.db2.gz FHQDIFHCDSSAEW-ZJUUUORDSA-N -1 0 309.326 -0.699 20 0 DBADRM C[C@H]1[C@@H](Nc2ncccn2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001040285583 815381018 /nfs/dbraw/zinc/38/10/18/815381018.db2.gz IQIHRHFBTLKGAF-YUMQZZPRSA-N -1 0 317.309 -0.212 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)C(N)=O)c1[O-] ZINC000962907839 810595302 /nfs/dbraw/zinc/59/53/02/810595302.db2.gz CXNJCAXSKUCFEN-RKDXNWHRSA-N -1 0 321.337 -0.885 20 0 DBADRM CCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000963412187 810626233 /nfs/dbraw/zinc/62/62/33/810626233.db2.gz FMNUPKVADNKILT-BDAKNGLRSA-N -1 0 321.337 -0.102 20 0 DBADRM CCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000963434215 810627041 /nfs/dbraw/zinc/62/70/41/810627041.db2.gz XWHLTGWTMLIIQY-UWVGGRQHSA-N -1 0 323.353 -0.309 20 0 DBADRM CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnc([O-])n(C)c1=O ZINC000963446507 810628501 /nfs/dbraw/zinc/62/85/01/810628501.db2.gz XXXWPMAFKWMKPV-NWDGAFQWSA-N -1 0 320.349 -0.289 20 0 DBADRM CC(=O)N1C[C@@H]2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000963790043 810661686 /nfs/dbraw/zinc/66/16/86/810661686.db2.gz MREVXANYMZNQJO-VHSXEESVSA-N -1 0 309.326 -0.841 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)c1[O-] ZINC000963995629 810673190 /nfs/dbraw/zinc/67/31/90/810673190.db2.gz PXTBUFBHRLVCJB-KYZUINATSA-N -1 0 323.353 -0.686 20 0 DBADRM COCC(=O)N1CCOC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC000964149362 810713475 /nfs/dbraw/zinc/71/34/75/810713475.db2.gz GTZFORMXJMDVIP-SECBINFHSA-N -1 0 312.326 -0.973 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2COCCN2C(=O)C(F)F)c1[O-] ZINC000964158455 810715069 /nfs/dbraw/zinc/71/50/69/810715069.db2.gz YTKKPTMJHKJKIJ-SSDOTTSWSA-N -1 0 318.280 -0.354 20 0 DBADRM CC(=O)N1CCCC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000964389892 810774921 /nfs/dbraw/zinc/77/49/21/810774921.db2.gz MZLDSDIALVITGH-SNVBAGLBSA-N -1 0 308.338 -0.383 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC000964660004 810793629 /nfs/dbraw/zinc/79/36/29/810793629.db2.gz WQGNOHMVFIHGHA-JTQLQIEISA-N -1 0 323.353 -0.267 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)C1=COCCO1 ZINC000964708314 810795668 /nfs/dbraw/zinc/79/56/68/810795668.db2.gz FYZYZZOFXKQJQT-UWVGGRQHSA-N -1 0 323.353 -0.275 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)CC(N)=O)CC2)c1[O-] ZINC000964850570 810804159 /nfs/dbraw/zinc/80/41/59/810804159.db2.gz ZGSGMYKWGSQYJN-VIFPVBQESA-N -1 0 323.353 -0.590 20 0 DBADRM CC(=O)N1CCC[C@@H](CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000965770987 810961185 /nfs/dbraw/zinc/96/11/85/810961185.db2.gz PRSTXQBGMSSAJQ-VIFPVBQESA-N -1 0 309.326 -0.387 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cc1cc[nH]n1 ZINC000965801068 810971094 /nfs/dbraw/zinc/97/10/94/810971094.db2.gz OIEUSRVJTMPSMR-ONGXEEELSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cncnc1 ZINC000965935452 810991565 /nfs/dbraw/zinc/99/15/65/810991565.db2.gz FQMUVVBMBLDHLP-ONGXEEELSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@H]1CN(C(=O)C2CCC2)C[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000966029055 811005915 /nfs/dbraw/zinc/00/59/15/811005915.db2.gz KKWYPZMIMQZXMH-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000966064828 811010407 /nfs/dbraw/zinc/01/04/07/811010407.db2.gz GXVRLFASNMMVDH-BDAKNGLRSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)c3cnon3)C2)c1[O-] ZINC000966338969 811055525 /nfs/dbraw/zinc/05/55/25/811055525.db2.gz LZUOCVNBGSXCGT-MUWHJKNJSA-N -1 0 320.309 -0.303 20 0 DBADRM CC(=O)N[C@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000966586714 811104123 /nfs/dbraw/zinc/10/41/23/811104123.db2.gz WPDIJSDYUGKLBM-XCBNKYQSSA-N -1 0 309.326 -0.802 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1NC(=O)C1(C)CC1 ZINC000966654264 811115354 /nfs/dbraw/zinc/11/53/54/811115354.db2.gz WAUBBRKFGUNSEW-BDAKNGLRSA-N -1 0 323.353 -0.548 20 0 DBADRM CCC(=O)N[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC000966657664 811115721 /nfs/dbraw/zinc/11/57/21/811115721.db2.gz AFUZHUFKEXZUGF-WPRPVWTQSA-N -1 0 308.338 -0.527 20 0 DBADRM CC(C)C(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC000966663655 811117045 /nfs/dbraw/zinc/11/70/45/811117045.db2.gz QCNZDKNLEAYQHT-GXSJLCMTSA-N -1 0 322.365 -0.281 20 0 DBADRM C[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)C1CC1 ZINC000966663007 811117383 /nfs/dbraw/zinc/11/73/83/811117383.db2.gz NUZLNYDNGVEUME-GZMMTYOYSA-N -1 0 320.349 -0.527 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CN(C(=O)c3cnon3)C[C@@H]2C)c1[O-] ZINC000966714105 811130803 /nfs/dbraw/zinc/13/08/03/811130803.db2.gz KYXKVGHEUIPELM-RCOVLWMOSA-N -1 0 320.309 -0.303 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cncn1C ZINC000967269546 811235966 /nfs/dbraw/zinc/23/59/66/811235966.db2.gz WGJNCKNGNHALOX-ZJUUUORDSA-N -1 0 319.369 -0.116 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCCN(C(=O)C(N)=O)C2)c1[O-] ZINC000967399243 811250096 /nfs/dbraw/zinc/25/00/96/811250096.db2.gz CCESLFLOOURTHL-SECBINFHSA-N -1 0 323.353 -0.780 20 0 DBADRM CC(=O)N(C)[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000967440761 811260298 /nfs/dbraw/zinc/26/02/98/811260298.db2.gz WKNWHRYLUBWFGK-NSHDSACASA-N -1 0 322.365 -0.041 20 0 DBADRM CCN(C(=O)[C@@H]1C[C@@H]1C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000967759916 811291504 /nfs/dbraw/zinc/29/15/04/811291504.db2.gz XLDVGUNYLYNYLK-IONNQARKSA-N -1 0 321.337 -0.388 20 0 DBADRM CCN(C(=O)[C@@H]1C[C@H]1C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000967759918 811292043 /nfs/dbraw/zinc/29/20/43/811292043.db2.gz XLDVGUNYLYNYLK-VXNVDRBHSA-N -1 0 321.337 -0.388 20 0 DBADRM CCN(C(=O)c1ncccc1O)C1CN(C(=O)CC(N)=O)C1 ZINC000967902294 811315156 /nfs/dbraw/zinc/31/51/56/811315156.db2.gz YAXLYOLDLAXYQJ-UHFFFAOYSA-N -1 0 306.322 -0.665 20 0 DBADRM CCN(C(=O)c1nc[nH]n1)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000968237662 811368856 /nfs/dbraw/zinc/36/88/56/811368856.db2.gz XBQVPVCULIEKLL-UHFFFAOYSA-N -1 0 319.325 -0.471 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccnnc1 ZINC000968357282 811391446 /nfs/dbraw/zinc/39/14/46/811391446.db2.gz KTGTYILJAXJAIW-GXSJLCMTSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnn(C)n1 ZINC000968412433 811401833 /nfs/dbraw/zinc/40/18/33/811401833.db2.gz AMCHYYGUVPKIGX-PSASIEDQSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cnn(C)n1 ZINC000968412436 811401986 /nfs/dbraw/zinc/40/19/86/811401986.db2.gz AMCHYYGUVPKIGX-WPRPVWTQSA-N -1 0 320.357 -0.721 20 0 DBADRM CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000968429962 811404931 /nfs/dbraw/zinc/40/49/31/811404931.db2.gz AAODCAWZVWQNMM-PWSUYJOCSA-N -1 0 318.381 -0.082 20 0 DBADRM CCn1nncc1C(=O)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC000968589817 811451177 /nfs/dbraw/zinc/45/11/77/811451177.db2.gz KVRMKKYIUFFYRZ-MRVPVSSYSA-N -1 0 306.330 -0.874 20 0 DBADRM Cc1nnsc1C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969281909 811559030 /nfs/dbraw/zinc/55/90/30/811559030.db2.gz SFEHMFNOVXCHQF-LURJTMIESA-N -1 0 323.382 -0.079 20 0 DBADRM Cc1cc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC000969352010 811561004 /nfs/dbraw/zinc/56/10/04/811561004.db2.gz QMJQQFXDWVZTMG-QMMMGPOBSA-N -1 0 305.342 -0.208 20 0 DBADRM Cc1c[nH]nc1C(=O)N1CC[C@H](N(C)Cc2nn(C)c(=O)[n-]2)C1 ZINC000971518058 811571076 /nfs/dbraw/zinc/57/10/76/811571076.db2.gz OOBMKOQPPJCCKB-JTQLQIEISA-N -1 0 319.369 -0.514 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC000971529339 811573792 /nfs/dbraw/zinc/57/37/92/811573792.db2.gz URTLEYRAGUKZED-NSHDSACASA-N -1 0 319.369 -0.481 20 0 DBADRM O=C(N[C@@H]1CCC[C@@H](NC(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000983397183 811592750 /nfs/dbraw/zinc/59/27/50/811592750.db2.gz CQKUTMWHBXRTNU-RKDXNWHRSA-N -1 0 321.337 -0.150 20 0 DBADRM O=C(N[C@@H]1CCC[C@H](NC(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000983397181 811592894 /nfs/dbraw/zinc/59/28/94/811592894.db2.gz CQKUTMWHBXRTNU-DTWKUNHWSA-N -1 0 321.337 -0.150 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)CO[C@@H]3CCOC3)C2)c1[O-] ZINC000990858502 811790873 /nfs/dbraw/zinc/79/08/73/811790873.db2.gz FHHCOXMHGBKXPL-SNVBAGLBSA-N -1 0 324.337 -0.830 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cn(C)c(=O)[nH]3)C2)c1[O-] ZINC000990857753 811790894 /nfs/dbraw/zinc/79/08/94/811790894.db2.gz BTYAIZBYGLZGNG-UHFFFAOYSA-N -1 0 320.309 -0.883 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@H]3CCCC(=O)N3)C2)c1[O-] ZINC000990860663 811791451 /nfs/dbraw/zinc/79/14/51/811791451.db2.gz QLSRKULXUXZSNT-SECBINFHSA-N -1 0 321.337 -0.967 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@@H]3C[C@@]34CCOC4)C2)c1[O-] ZINC000990863196 811792711 /nfs/dbraw/zinc/79/27/11/811792711.db2.gz QDQQCHMYZFZFMA-ZUZCIYMTSA-N -1 0 320.349 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)Cc3ccnn3C)C2)c1[O-] ZINC000990863655 811792801 /nfs/dbraw/zinc/79/28/01/811792801.db2.gz FMSDWNAHSPTHGG-UHFFFAOYSA-N -1 0 318.337 -0.659 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@]34C[C@H]3COC4)C2)c1[O-] ZINC000990867240 811793736 /nfs/dbraw/zinc/79/37/36/811793736.db2.gz CHWHJQSGXMJMPI-RTHLEPHNSA-N -1 0 306.322 -0.599 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)Cc3cncnc3)C2)c1[O-] ZINC000990866696 811793751 /nfs/dbraw/zinc/79/37/51/811793751.db2.gz YJVWDKHFZCKLHN-UHFFFAOYSA-N -1 0 316.321 -0.603 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cnsn3)C2)c1[O-] ZINC000990865497 811793782 /nfs/dbraw/zinc/79/37/82/811793782.db2.gz QDLIWJDARHRXPO-UHFFFAOYSA-N -1 0 308.323 -0.470 20 0 DBADRM Cc1cc(CC(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)no1 ZINC000990864697 811793954 /nfs/dbraw/zinc/79/39/54/811793954.db2.gz MDNXHJQRKMSXLA-UHFFFAOYSA-N -1 0 319.321 -0.097 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3nnn(C)c3C)C2)c1[O-] ZINC000990865462 811794054 /nfs/dbraw/zinc/79/40/54/811794054.db2.gz PYWOAPKWGWDSDD-UHFFFAOYSA-N -1 0 319.325 -0.885 20 0 DBADRM Cc1ccnn1CC(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990868331 811795240 /nfs/dbraw/zinc/79/52/40/811795240.db2.gz LSELHOULJDJELU-UHFFFAOYSA-N -1 0 318.337 -0.431 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3cc(F)ncn3)C[C@H]2O)c1[O-] ZINC001040977036 815475790 /nfs/dbraw/zinc/47/57/90/815475790.db2.gz YEMZWGZZUZEART-HTQZYQBOSA-N -1 0 322.300 -0.668 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)C3CCC(O)CC3)C2)c1[O-] ZINC000991091092 811874414 /nfs/dbraw/zinc/87/44/14/811874414.db2.gz JDWYSALJSMOFOQ-UHFFFAOYSA-N -1 0 322.365 -0.085 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C(F)F)[C@H](O)C2)c1[O-] ZINC000991153578 811909871 /nfs/dbraw/zinc/90/98/71/811909871.db2.gz FBPUJIJVWSDVBP-NKWVEPMBSA-N -1 0 318.280 -0.620 20 0 DBADRM CC(=O)NCC1(O)CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001041047108 815491246 /nfs/dbraw/zinc/49/12/46/815491246.db2.gz LNCCYDZQTKCFMF-UHFFFAOYSA-N -1 0 306.278 -0.749 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C3CC3)[C@H](O)C2)c1[O-] ZINC000991194429 811952082 /nfs/dbraw/zinc/95/20/82/811952082.db2.gz SAZXGESQLMNXDE-NXEZZACHSA-N -1 0 308.338 -0.475 20 0 DBADRM CC(C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@@H]1C ZINC001004528635 811992986 /nfs/dbraw/zinc/99/29/86/811992986.db2.gz FOOFMYHKZDAUIX-DTWKUNHWSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3ccnnc3)C2)c1[O-] ZINC001004736678 812003775 /nfs/dbraw/zinc/00/37/75/812003775.db2.gz BEHCHWCLQUCGBZ-UHFFFAOYSA-N -1 0 316.321 -0.284 20 0 DBADRM CCC(=O)N1CC[C@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001005083759 812028207 /nfs/dbraw/zinc/02/82/07/812028207.db2.gz FEPWEPOBDQRNJG-JGVFFNPUSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(C)C(=O)N1CC[C@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001005089253 812028318 /nfs/dbraw/zinc/02/83/18/812028318.db2.gz SZEQZLGIYFLKSU-DTWKUNHWSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001005089257 812028392 /nfs/dbraw/zinc/02/83/92/812028392.db2.gz SZEQZLGIYFLKSU-RKDXNWHRSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CCN([C@H](C)C(N)=O)CC2)c1[O-] ZINC001005263843 812054425 /nfs/dbraw/zinc/05/44/25/812054425.db2.gz XPVUJHDIQIXAAX-SECBINFHSA-N -1 0 309.370 -0.166 20 0 DBADRM CN(C(=O)Cc1ncc[nH]1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001006192589 812168729 /nfs/dbraw/zinc/16/87/29/812168729.db2.gz NCCFMBIUCQUYMR-UHFFFAOYSA-N -1 0 319.369 -0.101 20 0 DBADRM CCCC(=O)N1CC([C@@H](C)NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001006553603 812216561 /nfs/dbraw/zinc/21/65/61/812216561.db2.gz PJAVEDCBHLYJPF-SECBINFHSA-N -1 0 322.365 -0.137 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCCN(Cc3nc(=O)n(C)[nH]3)C2)no1 ZINC001006646486 812231875 /nfs/dbraw/zinc/23/18/75/812231875.db2.gz VCVWZBZMUYMEHF-JTQLQIEISA-N -1 0 320.353 -0.201 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3nnn(C)n3)C2)c1[O-] ZINC001007123546 812269016 /nfs/dbraw/zinc/26/90/16/812269016.db2.gz WWCXNRYRLJWZJG-SECBINFHSA-N -1 0 320.357 -0.658 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN([C@H]3CCCNC3=O)C2)c1[O-] ZINC001007133908 812269633 /nfs/dbraw/zinc/26/96/33/812269633.db2.gz JVOVTSSGQJMDKG-QWRGUYRKSA-N -1 0 321.381 -0.103 20 0 DBADRM CC[C@@H](C(N)=O)N1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001007132185 812270031 /nfs/dbraw/zinc/27/00/31/812270031.db2.gz ZMXCLPYUWRARBO-UWVGGRQHSA-N -1 0 309.370 -0.118 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)C1=CCOCC1 ZINC001007187250 812275412 /nfs/dbraw/zinc/27/54/12/812275412.db2.gz FJXSKKMIGBJKMK-NSHDSACASA-N -1 0 307.354 -0.062 20 0 DBADRM O=C(Cc1cncnc1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007228625 812282006 /nfs/dbraw/zinc/28/20/06/812282006.db2.gz UCVRTKKGWYSOFG-LLVKDONJSA-N -1 0 317.353 -0.376 20 0 DBADRM CO[C@@H](C)C(=O)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041115793 815519852 /nfs/dbraw/zinc/51/98/52/815519852.db2.gz RKBAHBKFBABMPB-HZMBPMFUSA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCC(=O)NC1 ZINC001007736789 812350747 /nfs/dbraw/zinc/35/07/47/812350747.db2.gz HSZYHVGBQXMGJU-NXEZZACHSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@]1(F)CCOC1 ZINC001008302647 812410928 /nfs/dbraw/zinc/41/09/28/812410928.db2.gz IWVHQNQBGWLZCD-NOZJJQNGSA-N -1 0 313.333 -0.281 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]c1=O ZINC001008421379 812428259 /nfs/dbraw/zinc/42/82/59/812428259.db2.gz IPEPOMQWBVCERW-QMMMGPOBSA-N -1 0 321.341 -0.656 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1n[nH]cc1F ZINC001008453965 812433600 /nfs/dbraw/zinc/43/36/00/812433600.db2.gz WXPPYLKVMNAPMR-ZETCQYMHSA-N -1 0 309.305 -0.233 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cccnn1 ZINC001008946796 812491749 /nfs/dbraw/zinc/49/17/49/812491749.db2.gz SIEKVKJUWFLRIQ-SECBINFHSA-N -1 0 303.326 -0.305 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ncccn1 ZINC001008957938 812493803 /nfs/dbraw/zinc/49/38/03/812493803.db2.gz VNPQZZQYJKNVLV-SECBINFHSA-N -1 0 303.326 -0.305 20 0 DBADRM NC(=O)CN1CCC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001009204727 812519607 /nfs/dbraw/zinc/51/96/07/812519607.db2.gz QJZGQXPCRVTQMS-QMMMGPOBSA-N -1 0 319.321 -0.392 20 0 DBADRM CC(=O)N1C[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001009910555 812603267 /nfs/dbraw/zinc/60/32/67/812603267.db2.gz RMNAEAOAFYRXHT-SCZZXKLOSA-N -1 0 308.338 -0.527 20 0 DBADRM CCc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001010294796 812655984 /nfs/dbraw/zinc/65/59/84/812655984.db2.gz RDEJUEXFQDIRMW-SECBINFHSA-N -1 0 305.342 -0.200 20 0 DBADRM CC(=O)N1CC2(C1)CCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001010438000 812698065 /nfs/dbraw/zinc/69/80/65/812698065.db2.gz CJWWADJEHJQVRW-UHFFFAOYSA-N -1 0 307.310 -0.633 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3cnn(C)n3)C2)c1[O-] ZINC001010621860 812727703 /nfs/dbraw/zinc/72/77/03/812727703.db2.gz VCAICFZLTLODIB-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN([C@H]3CCCNC3=O)C2)c1[O-] ZINC001010628694 812728735 /nfs/dbraw/zinc/72/87/35/812728735.db2.gz LDYFTKRIZVMIDE-ZJUUUORDSA-N -1 0 307.354 -0.494 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN([C@H](C)c3nnnn3C)C2)c1[O-] ZINC001010630392 812729554 /nfs/dbraw/zinc/72/95/54/812729554.db2.gz NXAOHEWQKHUBSB-BDAKNGLRSA-N -1 0 320.357 -0.487 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN([C@@H](C)c3nnnn3C)C2)c1[O-] ZINC001010630398 812729635 /nfs/dbraw/zinc/72/96/35/812729635.db2.gz NXAOHEWQKHUBSB-DTWKUNHWSA-N -1 0 320.357 -0.487 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN([C@@H]3CCCN(C)C3=O)C2)c1[O-] ZINC001010631860 812729739 /nfs/dbraw/zinc/72/97/39/812729739.db2.gz UYFMHTALGBPUEE-GHMZBOCLSA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN([C@H](C)c3nnnn3C)C2)c1[O-] ZINC001010630407 812729890 /nfs/dbraw/zinc/72/98/90/812729890.db2.gz NXAOHEWQKHUBSB-RKDXNWHRSA-N -1 0 320.357 -0.487 20 0 DBADRM COc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001010701610 812748963 /nfs/dbraw/zinc/74/89/63/812748963.db2.gz VHLJPNIWFYBMGC-ZETCQYMHSA-N -1 0 308.298 -0.489 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC(O)CC1 ZINC001010804992 812774061 /nfs/dbraw/zinc/77/40/61/812774061.db2.gz FMKLLYTXSUBNMX-YVNMAJEFSA-N -1 0 309.370 -0.248 20 0 DBADRM CC(=O)N1C[C@]2(C)CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@]2(C)C1 ZINC001010903918 812799240 /nfs/dbraw/zinc/79/92/40/812799240.db2.gz LYVBZFJKKXGOKU-OKILXGFUSA-N -1 0 323.353 -0.594 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(C(=O)C2=CCCC2)CC1 ZINC001010990636 812806542 /nfs/dbraw/zinc/80/65/42/812806542.db2.gz YIDTUXCYKUVPLG-UHFFFAOYSA-N -1 0 321.337 -0.530 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3cn(C)cn3)CC2)c1[O-] ZINC001010995343 812808204 /nfs/dbraw/zinc/80/82/04/812808204.db2.gz NRUSWQLBFSVVFC-UHFFFAOYSA-N -1 0 318.337 -0.245 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)Cn3ccnc3)CC2)c1[O-] ZINC001011009424 812811879 /nfs/dbraw/zinc/81/18/79/812811879.db2.gz GPHCISUVIDGREX-UHFFFAOYSA-N -1 0 318.337 -0.395 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001011014525 812812616 /nfs/dbraw/zinc/81/26/16/812812616.db2.gz BFEPUFLDQXZIRG-SECBINFHSA-N -1 0 323.353 -0.594 20 0 DBADRM CC1(C)C[C@H]1C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001011014526 812812920 /nfs/dbraw/zinc/81/29/20/812812920.db2.gz BFEPUFLDQXZIRG-VIFPVBQESA-N -1 0 323.353 -0.594 20 0 DBADRM O=C(c1cc[nH]c1)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001011245176 812865472 /nfs/dbraw/zinc/86/54/72/812865472.db2.gz VNDYAFCKLSTZEP-UHFFFAOYSA-N -1 0 318.293 -0.791 20 0 DBADRM C[C@@H]1[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C(F)F ZINC001011346704 812883791 /nfs/dbraw/zinc/88/37/91/812883791.db2.gz JHFSOESRLGYXKT-PHDIDXHHSA-N -1 0 319.268 -0.940 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H]1C ZINC001011351321 812883837 /nfs/dbraw/zinc/88/38/37/812883837.db2.gz XNAWUYBCKNZYPZ-GZMMTYOYSA-N -1 0 318.337 -0.803 20 0 DBADRM C[C@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)C1CC1 ZINC001011365385 812884780 /nfs/dbraw/zinc/88/47/80/812884780.db2.gz AJTXNGPXYJZZSP-KWQFWETISA-N -1 0 320.349 -0.385 20 0 DBADRM C[C@@H]1[C@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)C1CC1 ZINC001011365386 812884981 /nfs/dbraw/zinc/88/49/81/812884981.db2.gz AJTXNGPXYJZZSP-LDYMZIIASA-N -1 0 320.349 -0.385 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C1CCC1 ZINC001011364415 812885354 /nfs/dbraw/zinc/88/53/54/812885354.db2.gz MHUBNJGWAWKKIG-WCBMZHEXSA-N -1 0 323.353 -0.405 20 0 DBADRM CCCC(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001011399058 812888578 /nfs/dbraw/zinc/88/85/78/812888578.db2.gz RJAVBOIKHZTHDB-DTWKUNHWSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001011503440 812902083 /nfs/dbraw/zinc/90/20/83/812902083.db2.gz NLSCVCHMMFWWBO-HTQZYQBOSA-N -1 0 309.326 -0.342 20 0 DBADRM CC1(CC(=O)N2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)CC1 ZINC001011595305 812917767 /nfs/dbraw/zinc/91/77/67/812917767.db2.gz QBUMVDIXEBQPPY-UHFFFAOYSA-N -1 0 321.337 -0.243 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001011736796 812939348 /nfs/dbraw/zinc/93/93/48/812939348.db2.gz QDAVEMILDNSABC-RKDXNWHRSA-N -1 0 321.337 -0.387 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC001011851995 812955453 /nfs/dbraw/zinc/95/54/53/812955453.db2.gz MYBNOZZSEZEQHD-VIFPVBQESA-N -1 0 321.337 -0.840 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001011930807 812972484 /nfs/dbraw/zinc/97/24/84/812972484.db2.gz NXGVQGSVFHUFEA-JGVFFNPUSA-N -1 0 309.326 -0.342 20 0 DBADRM C[C@H]1[C@@H](NC(=O)C2CC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001011931229 812972663 /nfs/dbraw/zinc/97/26/63/812972663.db2.gz OTRQESWIMUIDQW-XPUUQOCRSA-N -1 0 307.310 -0.588 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC001012119069 813014428 /nfs/dbraw/zinc/01/44/28/813014428.db2.gz RNWOPMGVDYXXTL-WPRPVWTQSA-N -1 0 318.337 -0.803 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)C(F)F ZINC001012121612 813015154 /nfs/dbraw/zinc/01/51/54/813015154.db2.gz NPSIINFOBANXMV-PHDIDXHHSA-N -1 0 319.268 -0.940 20 0 DBADRM CC(C)=CC(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001012238584 813025401 /nfs/dbraw/zinc/02/54/01/813025401.db2.gz YMCGKZRFLMDMMZ-BDAKNGLRSA-N -1 0 321.337 -0.032 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](C)N(C(=O)CC(N)=O)C2)c1[O-] ZINC001012406938 813049537 /nfs/dbraw/zinc/04/95/37/813049537.db2.gz IWPGKJKOZKRWET-XPUUQOCRSA-N -1 0 309.326 -0.982 20 0 DBADRM C/C=C(\C)C(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001012449791 813057538 /nfs/dbraw/zinc/05/75/38/813057538.db2.gz MWNUOZWGKOVWQM-AOZRHXBJSA-N -1 0 321.337 -0.032 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C2CCC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013492137 813141647 /nfs/dbraw/zinc/14/16/47/813141647.db2.gz NMQJHDITUSCBHJ-WPRPVWTQSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C2CC2)CN1C(=O)c1cnc([O-])n(C)c1=O ZINC001013546882 813148432 /nfs/dbraw/zinc/14/84/32/813148432.db2.gz CSVZEAVGNWBUHN-WCBMZHEXSA-N -1 0 320.349 -0.385 20 0 DBADRM CC(=O)N1CC[C@@]2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CCC[C@@H]12 ZINC001014355818 813222309 /nfs/dbraw/zinc/22/23/09/813222309.db2.gz RHOFXZLBEVHSHL-RNCFNFMXSA-N -1 0 309.326 -0.651 20 0 DBADRM CCC(=O)N1CC[C@@]2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CCC[C@H]12 ZINC001014362392 813222387 /nfs/dbraw/zinc/22/23/87/813222387.db2.gz RHXSTWRWLYOYTM-RTHLEPHNSA-N -1 0 321.337 -0.054 20 0 DBADRM CC(=O)N1CC[C@]2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CCC[C@H]12 ZINC001014355819 813222563 /nfs/dbraw/zinc/22/25/63/813222563.db2.gz RHOFXZLBEVHSHL-TVQRCGJNSA-N -1 0 309.326 -0.651 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)c1[O-] ZINC001014445991 813246772 /nfs/dbraw/zinc/24/67/72/813246772.db2.gz NQEQGMMFSMFXKK-XLKFXECMSA-N -1 0 321.337 -0.838 20 0 DBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001014458494 813250153 /nfs/dbraw/zinc/25/01/53/813250153.db2.gz FMYOETCUPXWJRG-OPRDCNLKSA-N -1 0 322.369 -0.885 20 0 DBADRM CCc1c[nH]c(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001014790733 813311426 /nfs/dbraw/zinc/31/14/26/813311426.db2.gz XWTTZFCQPBKNJZ-SNVBAGLBSA-N -1 0 319.369 -0.271 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C)c1[O-] ZINC001014880406 813330403 /nfs/dbraw/zinc/33/04/03/813330403.db2.gz WWZUYNWMCUAYRH-BDAKNGLRSA-N -1 0 323.353 -0.592 20 0 DBADRM C[C@]1(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCNC(=O)C1 ZINC001014920328 813334491 /nfs/dbraw/zinc/33/44/91/813334491.db2.gz MTOPVMRWSVWCGH-OTYXRUKQSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(Cc1ccc(F)cn1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014978876 813344324 /nfs/dbraw/zinc/34/43/24/813344324.db2.gz NRANTHNAFOMWGX-LLVKDONJSA-N -1 0 320.328 -0.022 20 0 DBADRM O=C(Cc1ccc(F)cn1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014978880 813344576 /nfs/dbraw/zinc/34/45/76/813344576.db2.gz NRANTHNAFOMWGX-NSHDSACASA-N -1 0 320.328 -0.022 20 0 DBADRM O=C(CN1CCCCC1=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015071984 813363718 /nfs/dbraw/zinc/36/37/18/813363718.db2.gz CBGFVNFQHPMPTC-JTQLQIEISA-N -1 0 322.369 -0.787 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2cncs2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015119673 813371822 /nfs/dbraw/zinc/37/18/22/813371822.db2.gz MNJCTYFCWGWMAS-SSDOTTSWSA-N -1 0 322.350 -0.256 20 0 DBADRM Cc1ncoc1CN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015117743 813371990 /nfs/dbraw/zinc/37/19/90/813371990.db2.gz FQPTTZAIMQYUMI-QMMMGPOBSA-N -1 0 320.309 -0.416 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CCN(CC(N)=O)C2)cc1=O ZINC001015138606 813377997 /nfs/dbraw/zinc/37/79/97/813377997.db2.gz ZZPCXMNNBGDPOG-LLVKDONJSA-N -1 0 323.397 -0.949 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015450151 813424897 /nfs/dbraw/zinc/42/48/97/813424897.db2.gz USDMFHUAPHQXAY-JTQLQIEISA-N -1 0 319.369 -0.135 20 0 DBADRM COc1ccnc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001015482175 813430508 /nfs/dbraw/zinc/43/05/08/813430508.db2.gz DJRQDKLZQHHWPR-VIFPVBQESA-N -1 0 318.337 -0.082 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@@H](CNC(=O)C2CC2)C1 ZINC001015507966 813440151 /nfs/dbraw/zinc/44/01/51/813440151.db2.gz BZJQTFSMPLGJSE-PSASIEDQSA-N -1 0 323.353 -0.500 20 0 DBADRM Cn1c(=O)cccc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015680829 813495590 /nfs/dbraw/zinc/49/55/90/813495590.db2.gz BWFQYFAGCQPHQE-SECBINFHSA-N -1 0 318.337 -0.787 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCCCC(=O)N1 ZINC001015688008 813497313 /nfs/dbraw/zinc/49/73/13/813497313.db2.gz UZCVTWCKAFDCEM-ZJUUUORDSA-N -1 0 322.369 -0.740 20 0 DBADRM Cc1ccn(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001015718230 813512285 /nfs/dbraw/zinc/51/22/85/813512285.db2.gz KGMWKNCXIAPTSV-JTQLQIEISA-N -1 0 305.342 -0.594 20 0 DBADRM Cc1nc(C)c(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001015724619 813514862 /nfs/dbraw/zinc/51/48/62/813514862.db2.gz SQDGIHPQBNWZML-VIFPVBQESA-N -1 0 305.342 -0.145 20 0 DBADRM Cc1ccc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c(=O)[nH]1 ZINC001015759063 813517470 /nfs/dbraw/zinc/51/74/70/813517470.db2.gz MHNOAHNANMVDCG-VIFPVBQESA-N -1 0 318.337 -0.076 20 0 DBADRM Cc1nonc1CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015926933 813567382 /nfs/dbraw/zinc/56/73/82/813567382.db2.gz YXHFJTOFLYPUFX-MRVPVSSYSA-N -1 0 307.314 -0.865 20 0 DBADRM Cn1cncc1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015996782 813584300 /nfs/dbraw/zinc/58/43/00/813584300.db2.gz QOPGATDMWYSTCX-VIFPVBQESA-N -1 0 305.342 -0.823 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(Cc2ccns2)C1 ZINC001016110656 813600213 /nfs/dbraw/zinc/60/02/13/813600213.db2.gz LTDQDJYUNHRXJY-MRVPVSSYSA-N -1 0 324.366 -0.464 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016236473 813628611 /nfs/dbraw/zinc/62/86/11/813628611.db2.gz AHGFBJTWZNLGMC-JTQLQIEISA-N -1 0 319.369 -0.217 20 0 DBADRM Cc1nccn1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016259674 813633429 /nfs/dbraw/zinc/63/34/29/813633429.db2.gz JIZDCFUJSLAFKI-JTQLQIEISA-N -1 0 305.342 -0.594 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC(NC(=O)C2CCC2)C1 ZINC001016789106 813719739 /nfs/dbraw/zinc/71/97/39/813719739.db2.gz MAOGOHLPIQUJBI-UHFFFAOYSA-N -1 0 321.337 -0.198 20 0 DBADRM O=C(N[C@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2)c1nnc[nH]1 ZINC001016886040 813737579 /nfs/dbraw/zinc/73/75/79/813737579.db2.gz YRULZXBTNPSUPN-QMMMGPOBSA-N -1 0 318.341 -0.587 20 0 DBADRM CC(=O)N1CCC(C2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)CC1 ZINC001017178001 813771356 /nfs/dbraw/zinc/77/13/56/813771356.db2.gz FFEYICBETADQOU-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM CC(=O)N[C@H]1CC[C@H](C)N(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001017881035 813847676 /nfs/dbraw/zinc/84/76/76/813847676.db2.gz XWMQBXWJBKDHLN-WPRPVWTQSA-N -1 0 323.353 -0.269 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@H]1C ZINC001018596902 813935709 /nfs/dbraw/zinc/93/57/09/813935709.db2.gz GSAPHZVKHUGQBK-VXNVDRBHSA-N -1 0 309.326 -0.483 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC[C@H]1C ZINC001018600478 813935875 /nfs/dbraw/zinc/93/58/75/813935875.db2.gz ZJYJLIXTQWXZSV-KOLCDFICSA-N -1 0 322.365 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]2C)c1[O-] ZINC001018619251 813939370 /nfs/dbraw/zinc/93/93/70/813939370.db2.gz PHFVCYCKBUKSGF-IONNQARKSA-N -1 0 323.353 -0.877 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)CC[C@H]2C)c1[O-] ZINC001018619252 813939790 /nfs/dbraw/zinc/93/97/90/813939790.db2.gz PHFVCYCKBUKSGF-VXNVDRBHSA-N -1 0 323.353 -0.877 20 0 DBADRM CCC(=O)N1CC2(C1)CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001018647934 813949277 /nfs/dbraw/zinc/94/92/77/813949277.db2.gz NVAFNWIFLAJDQX-UHFFFAOYSA-N -1 0 309.326 -0.840 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](NCc2ncccn2)C1 ZINC001019094926 814070475 /nfs/dbraw/zinc/07/04/75/814070475.db2.gz SXHBXKQCYXWSFV-QMMMGPOBSA-N -1 0 317.309 -0.923 20 0 DBADRM CC(=O)N1CCC2(CN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC001019178625 814085509 /nfs/dbraw/zinc/08/55/09/814085509.db2.gz TXBDENROEWQYKJ-UHFFFAOYSA-N -1 0 321.337 -0.704 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](NCc2cscn2)C1 ZINC001019710332 814222161 /nfs/dbraw/zinc/22/21/61/814222161.db2.gz KYJDKJSCIPQCTD-QMMMGPOBSA-N -1 0 324.366 -0.464 20 0 DBADRM Cc1nc(CN[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)co1 ZINC001020353172 814361728 /nfs/dbraw/zinc/36/17/28/814361728.db2.gz SFWUMMHSQUHATB-ZKCHVHJHSA-N -1 0 320.309 -0.370 20 0 DBADRM CN(C(=O)Cc1ccn(C)n1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033074231 814404254 /nfs/dbraw/zinc/40/42/54/814404254.db2.gz GHMWZCBNOWOHMH-LLVKDONJSA-N -1 0 319.369 -0.481 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033170111 814434125 /nfs/dbraw/zinc/43/41/25/814434125.db2.gz UKYYMLFHDZKFAK-MRVPVSSYSA-N -1 0 321.341 -0.406 20 0 DBADRM CN(C(=O)[C@]1(C)CCNC1=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033420564 814504899 /nfs/dbraw/zinc/50/48/99/814504899.db2.gz INWMVFVHZOSFMW-YMTOWFKASA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1ccnn1CC(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033481731 814518225 /nfs/dbraw/zinc/51/82/25/814518225.db2.gz ZYCYNXWGNFLOKO-NSHDSACASA-N -1 0 319.369 -0.252 20 0 DBADRM CN(C(=O)C[C@H]1CCC(=O)N1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033490868 814520667 /nfs/dbraw/zinc/52/06/67/814520667.db2.gz MQFDRSDPVDIRQD-NXEZZACHSA-N -1 0 322.369 -0.788 20 0 DBADRM CN(C(=O)c1ncccn1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033527894 814531793 /nfs/dbraw/zinc/53/17/93/814531793.db2.gz YHXSRTMEYMRQOM-SECBINFHSA-N -1 0 303.326 -0.353 20 0 DBADRM CN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@@H]1CCN(CC(N)=O)C1 ZINC001033584039 814548912 /nfs/dbraw/zinc/54/89/12/814548912.db2.gz URWSNHRKHVGDAG-MRVPVSSYSA-N -1 0 319.321 -0.440 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(Cc2ccon2)C1 ZINC001033616887 814552986 /nfs/dbraw/zinc/55/29/86/814552986.db2.gz NISYLUOTUINGHK-SNVBAGLBSA-N -1 0 322.325 -0.590 20 0 DBADRM CN(C(=O)c1ccn(C)n1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033658551 814564070 /nfs/dbraw/zinc/56/40/70/814564070.db2.gz YYRROLHZWYSLKF-SECBINFHSA-N -1 0 305.342 -0.410 20 0 DBADRM CCN(C(=O)c1cnn(C)c1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033743649 814582606 /nfs/dbraw/zinc/58/26/06/814582606.db2.gz ASCLYOKPVVDERY-NSHDSACASA-N -1 0 319.369 -0.020 20 0 DBADRM CCN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033817054 814590171 /nfs/dbraw/zinc/59/01/71/814590171.db2.gz QXKRHSKKUOOMMP-IUCAKERBSA-N -1 0 324.341 -0.959 20 0 DBADRM CCN(C(=O)c1ncn(C)n1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033820086 814591519 /nfs/dbraw/zinc/59/15/19/814591519.db2.gz IWUSTDMELPCWBB-VIFPVBQESA-N -1 0 320.357 -0.625 20 0 DBADRM CCN(C(=O)c1ccn(C)n1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034043556 814628101 /nfs/dbraw/zinc/62/81/01/814628101.db2.gz CNHFMTGJKPYPPS-JTQLQIEISA-N -1 0 319.369 -0.020 20 0 DBADRM O=C(N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)C1=COCCO1 ZINC001034084478 814632553 /nfs/dbraw/zinc/63/25/53/814632553.db2.gz OURHHJXNMSVQSX-SNVBAGLBSA-N -1 0 323.353 -0.131 20 0 DBADRM O=C(N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001034131315 814636723 /nfs/dbraw/zinc/63/67/23/814636723.db2.gz ZKCSRAVQJBATAH-VHSXEESVSA-N -1 0 322.369 -0.740 20 0 DBADRM O=C(Cn1nccn1)N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034235195 814651144 /nfs/dbraw/zinc/65/11/44/814651144.db2.gz YTUZRTQBDTYLDV-JTQLQIEISA-N -1 0 320.357 -0.727 20 0 DBADRM O=C(N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001034357983 814669795 /nfs/dbraw/zinc/66/97/95/814669795.db2.gz KKPBJUPGOHWWBJ-MEWQQHAOSA-N -1 0 321.381 -0.127 20 0 DBADRM O=C(Cn1cncn1)N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034518116 814693800 /nfs/dbraw/zinc/69/38/00/814693800.db2.gz RYTFVMQIXNHHBO-SNVBAGLBSA-N -1 0 320.357 -0.727 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@@H]1CCCO1 ZINC001035280913 814875531 /nfs/dbraw/zinc/87/55/31/814875531.db2.gz CJAATSBPQFCZMC-ZJUUUORDSA-N -1 0 311.342 -0.994 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035339186 814897535 /nfs/dbraw/zinc/89/75/35/814897535.db2.gz FNFTVDNRPGTJNJ-NXEZZACHSA-N -1 0 309.370 -0.127 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)C1=CCOCC1 ZINC001035345581 814900063 /nfs/dbraw/zinc/90/00/63/814900063.db2.gz AVZKQYGYTBETSP-NSHDSACASA-N -1 0 323.353 -0.826 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@H]1CC1(F)F ZINC001035358539 814904216 /nfs/dbraw/zinc/90/42/16/814904216.db2.gz NNLXHGLJGXXQSA-JGVFFNPUSA-N -1 0 317.296 -0.518 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ccns1 ZINC001035391462 814917361 /nfs/dbraw/zinc/91/73/61/814917361.db2.gz PREWAVHTDSHCNY-QMMMGPOBSA-N -1 0 324.366 -0.402 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)c3ccc[nH]3)C2)c1[O-] ZINC001041438540 815615572 /nfs/dbraw/zinc/61/55/72/815615572.db2.gz PWQXTFXJBMAZPY-UHFFFAOYSA-N -1 0 319.321 -0.631 20 0 DBADRM O=C(c1cnon1)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041749080 815713804 /nfs/dbraw/zinc/71/38/04/815713804.db2.gz ZOHJIDBOFRXGCO-CYBMUJFWSA-N -1 0 319.325 -0.369 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)c3cocn3)C2)c1[O-] ZINC001042047542 815811139 /nfs/dbraw/zinc/81/11/39/815811139.db2.gz TVYDGXUJFLLIMU-UHFFFAOYSA-N -1 0 321.293 -0.971 20 0 DBADRM O=C(c1ncc[nH]1)N1CC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001042051973 815811981 /nfs/dbraw/zinc/81/19/81/815811981.db2.gz QFHGTBFJJXEHAZ-UWVGGRQHSA-N -1 0 317.353 -0.030 20 0 DBADRM O=C(c1cnon1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001042278962 815876595 /nfs/dbraw/zinc/87/65/95/815876595.db2.gz CINONLJSFZPQHN-SCZZXKLOSA-N -1 0 319.325 -0.370 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3C)C2)c1[O-] ZINC001042572268 815956568 /nfs/dbraw/zinc/95/65/68/815956568.db2.gz ILQHQAHSJHCVCO-VXNVDRBHSA-N -1 0 308.338 -0.617 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)C3CCC3)C2)c1[O-] ZINC001042573114 815956692 /nfs/dbraw/zinc/95/66/92/815956692.db2.gz WXDABMDQDAALML-UHFFFAOYSA-N -1 0 308.338 -0.473 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)[C@H]3CC34CC4)C2)c1[O-] ZINC001042579978 815958797 /nfs/dbraw/zinc/95/87/97/815958797.db2.gz HLQKERCMFKASIY-SECBINFHSA-N -1 0 320.349 -0.473 20 0 DBADRM C[C@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001042635924 815973584 /nfs/dbraw/zinc/97/35/84/815973584.db2.gz GUMZLBLEDMCTDI-MRVPVSSYSA-N -1 0 306.330 -0.994 20 0 DBADRM CCn1nnc(C)c1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042907667 816060160 /nfs/dbraw/zinc/06/01/60/816060160.db2.gz OGAASCNULAONAZ-UHFFFAOYSA-N -1 0 320.357 -0.613 20 0 DBADRM CC[C@@H]1CCO[C@@H]1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042977953 816086369 /nfs/dbraw/zinc/08/63/69/816086369.db2.gz SYQDHLDTQQRCNA-SKDRFNHKSA-N -1 0 309.370 -0.032 20 0 DBADRM Cc1ncn(C)c1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042994539 816091051 /nfs/dbraw/zinc/09/10/51/816091051.db2.gz SHPGZSFHGASDDH-UHFFFAOYSA-N -1 0 305.342 -0.491 20 0 DBADRM COc1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)ccn1 ZINC001043194925 816140016 /nfs/dbraw/zinc/14/00/16/816140016.db2.gz OUHIWELUYNSXBO-UHFFFAOYSA-N -1 0 318.337 -0.130 20 0 DBADRM CCOc1nc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001043226611 816148471 /nfs/dbraw/zinc/14/84/71/816148471.db2.gz CZTLZLJGYWBPKZ-UHFFFAOYSA-N -1 0 322.325 -0.147 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C[C@H]2CCCCO2)C1 ZINC001043230805 816149914 /nfs/dbraw/zinc/14/99/14/816149914.db2.gz DKONTQNXEZKLIF-SNVBAGLBSA-N -1 0 323.353 -0.392 20 0 DBADRM Cc1cc(CC(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001043332491 816164671 /nfs/dbraw/zinc/16/46/71/816164671.db2.gz ORKNFTKMDMSTBZ-UHFFFAOYSA-N -1 0 319.369 -0.562 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043498421 816205010 /nfs/dbraw/zinc/20/50/10/816205010.db2.gz ZMGCPACAUMBBFI-UHFFFAOYSA-N -1 0 319.369 -0.183 20 0 DBADRM COC[C@@H](C)N1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001043511123 816207870 /nfs/dbraw/zinc/20/78/70/816207870.db2.gz RWHLTRKCVCQONX-SECBINFHSA-N -1 0 310.354 -0.723 20 0 DBADRM C[C@@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCO1 ZINC001043806817 816275276 /nfs/dbraw/zinc/27/52/76/816275276.db2.gz CGNXQMNZAMBQHB-MWLCHTKSSA-N -1 0 309.370 -0.032 20 0 DBADRM Cc1cc(=O)[nH]cc1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043831585 816283717 /nfs/dbraw/zinc/28/37/17/816283717.db2.gz KMNGFACGCQAJPG-UHFFFAOYSA-N -1 0 318.337 -0.124 20 0 DBADRM Cc1ccn(CC(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001043909084 816312506 /nfs/dbraw/zinc/31/25/06/816312506.db2.gz SUIHJDBHRQHBTI-UHFFFAOYSA-N -1 0 305.342 -0.642 20 0 DBADRM C[C@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001043940457 816322606 /nfs/dbraw/zinc/32/26/06/816322606.db2.gz XIKGZXDMYHUOHH-WCBMZHEXSA-N -1 0 322.369 -0.932 20 0 DBADRM CO[C@H](C)CN1CC(N(C)C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001044018203 816336419 /nfs/dbraw/zinc/33/64/19/816336419.db2.gz LAZXGJNVZQVCFO-SNVBAGLBSA-N -1 0 319.365 -0.186 20 0 DBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CN(CCCF)C1 ZINC001044061743 816346700 /nfs/dbraw/zinc/34/67/00/816346700.db2.gz NPNGMUFPCGTVKW-UHFFFAOYSA-N -1 0 322.344 -0.427 20 0 DBADRM CN(C(=O)[C@H]1C[C@@]12CCOC2)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044155353 816373411 /nfs/dbraw/zinc/37/34/11/816373411.db2.gz TWHMGVDVSKJDLP-QMTHXVAHSA-N -1 0 307.354 -0.421 20 0 DBADRM CCn1cnc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001044195866 816384753 /nfs/dbraw/zinc/38/47/53/816384753.db2.gz KEWUHYNQCWDWGG-UHFFFAOYSA-N -1 0 305.342 -0.317 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044208626 816387613 /nfs/dbraw/zinc/38/76/13/816387613.db2.gz XELQOJKFTJJQMP-NSHDSACASA-N -1 0 322.369 -0.836 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044345155 816419763 /nfs/dbraw/zinc/41/97/63/816419763.db2.gz XELQOJKFTJJQMP-LLVKDONJSA-N -1 0 322.369 -0.836 20 0 DBADRM CC1(NC(=O)c2cn[nH]n2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001045489521 816638904 /nfs/dbraw/zinc/63/89/04/816638904.db2.gz INSACNNJPALAHN-UHFFFAOYSA-N -1 0 306.330 -0.587 20 0 DBADRM CC1(NC(=O)[C@@H]2CCNC2=O)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001045524632 816645528 /nfs/dbraw/zinc/64/55/28/816645528.db2.gz PNXDYIUYYCDERQ-SECBINFHSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(c1nc[nH]n1)N1CC[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001045866830 816699852 /nfs/dbraw/zinc/69/98/52/816699852.db2.gz UJORFFVMPZQLQF-BDAKNGLRSA-N -1 0 318.341 -0.493 20 0 DBADRM CCC(=O)N1CCN([C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001045989564 816707390 /nfs/dbraw/zinc/70/73/90/816707390.db2.gz LUAQDMOXNVDJPH-LLVKDONJSA-N -1 0 308.386 -0.361 20 0 DBADRM Cc1cc(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001046168206 816770968 /nfs/dbraw/zinc/77/09/68/816770968.db2.gz FKQPEBBJCXWLNO-ZDUSSCGKSA-N -1 0 305.342 -0.064 20 0 DBADRM Cc1cc(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001046175333 816772224 /nfs/dbraw/zinc/77/22/24/816772224.db2.gz HNROIQOCOABLLX-CQSZACIVSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN([C@H]3CCN(C)C3=O)C2)c1[O-] ZINC001046240249 816790989 /nfs/dbraw/zinc/79/09/89/816790989.db2.gz QYPZDMUZTSKHPE-BONVTDFDSA-N -1 0 321.381 -0.151 20 0 DBADRM C[C@@]1(NC(=O)c2cncnc2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046260846 816796525 /nfs/dbraw/zinc/79/65/25/816796525.db2.gz RJZCMWYCVHULAV-CYBMUJFWSA-N -1 0 303.326 -0.305 20 0 DBADRM CCn1nncc1C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046299566 816811754 /nfs/dbraw/zinc/81/17/54/816811754.db2.gz OAMZVRAXHSIFFX-CYBMUJFWSA-N -1 0 320.357 -0.484 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C(C)(C)C)C2)c1[O-] ZINC001046390516 816834218 /nfs/dbraw/zinc/83/42/18/816834218.db2.gz VDXVJOOLFQWBKN-UHFFFAOYSA-N -1 0 310.354 -0.227 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046529766 816870042 /nfs/dbraw/zinc/87/00/42/816870042.db2.gz BVENKNGALKRYLY-ZDUSSCGKSA-N -1 0 305.342 -0.064 20 0 DBADRM C[C@]1(NC(=O)c2ccncn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046709932 816927645 /nfs/dbraw/zinc/92/76/45/816927645.db2.gz RQUCZLPZIICAOK-ZDUSSCGKSA-N -1 0 303.326 -0.305 20 0 DBADRM CCn1cc(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001046735892 816937426 /nfs/dbraw/zinc/93/74/26/816937426.db2.gz XWTJYRCKCNHFKJ-ZDUSSCGKSA-N -1 0 320.357 -0.484 20 0 DBADRM Cn1cc(C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)cn1 ZINC001048672701 817395029 /nfs/dbraw/zinc/39/50/29/817395029.db2.gz MVXMCKGIXYZLPR-PHIMTYICSA-N -1 0 317.353 -0.552 20 0 DBADRM O=C(c1cnsn1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048701568 817404792 /nfs/dbraw/zinc/40/47/92/817404792.db2.gz YJROXPCBSSPQMQ-OCAPTIKFSA-N -1 0 321.366 -0.434 20 0 DBADRM O=C(c1ccon1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048700334 817404844 /nfs/dbraw/zinc/40/48/44/817404844.db2.gz IAJWOPUISDPUPR-DTORHVGOSA-N -1 0 304.310 -0.298 20 0 DBADRM Cc1cc(C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)[nH]n1 ZINC001048703892 817406126 /nfs/dbraw/zinc/40/61/26/817406126.db2.gz IIKHLUYSETYHFW-AOOOYVTPSA-N -1 0 317.353 -0.254 20 0 DBADRM Cc1nc(C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)c[nH]1 ZINC001048725778 817416714 /nfs/dbraw/zinc/41/67/14/817416714.db2.gz VTEYINCKWMVREY-AOOOYVTPSA-N -1 0 317.353 -0.254 20 0 DBADRM O=C(Cc1cc[nH]n1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048737431 817420992 /nfs/dbraw/zinc/42/09/92/817420992.db2.gz VXSWFLWMYQGICN-AOOOYVTPSA-N -1 0 317.353 -0.634 20 0 DBADRM COC1CC(C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)C1 ZINC001048881662 817471265 /nfs/dbraw/zinc/47/12/65/817471265.db2.gz HXRMKBZRFNLEIG-WSVSKBAQSA-N -1 0 321.381 -0.175 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)O1 ZINC001049072943 817524394 /nfs/dbraw/zinc/52/43/94/817524394.db2.gz TWSKYCFYDZKAMX-WISYIIOYSA-N -1 0 321.381 -0.032 20 0 DBADRM CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001049659875 817622649 /nfs/dbraw/zinc/62/26/49/817622649.db2.gz ZRUCATMNMDWZAJ-PSASIEDQSA-N -1 0 323.353 -0.412 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]([C@@H](C)NC(=O)CC(N)=O)C2)c1[O-] ZINC001050473503 817720184 /nfs/dbraw/zinc/72/01/84/817720184.db2.gz DFJAZLIXUSIMHT-APPZFPTMSA-N -1 0 323.353 -0.734 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ccncc1 ZINC001050789349 817757964 /nfs/dbraw/zinc/75/79/64/817757964.db2.gz HZOHHHWYEPATJR-LLVKDONJSA-N -1 0 318.337 -0.464 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ccoc1 ZINC001050814265 817764386 /nfs/dbraw/zinc/76/43/86/817764386.db2.gz DYQQWKSCWUADRG-JTQLQIEISA-N -1 0 307.310 -0.266 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2COCCN2Cc2cnon2)c1[O-] ZINC001050877043 817782726 /nfs/dbraw/zinc/78/27/26/817782726.db2.gz SBKXQZVRZXDLLP-JTQLQIEISA-N -1 0 322.325 -0.562 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1CC1(F)F ZINC001050910070 817791465 /nfs/dbraw/zinc/79/14/65/817791465.db2.gz BVZFRGRCCZZVJH-YUMQZZPRSA-N -1 0 317.296 -0.518 20 0 DBADRM Cc1n[nH]cc1C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001051052578 817831362 /nfs/dbraw/zinc/83/13/62/817831362.db2.gz KKIPPMQIXFQMPZ-SECBINFHSA-N -1 0 321.341 -0.827 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1CC12CC2 ZINC001051140560 817855214 /nfs/dbraw/zinc/85/52/14/817855214.db2.gz IWMGJZOSLMRTFL-NXEZZACHSA-N -1 0 307.354 -0.373 20 0 DBADRM O=C(NC[C@H]1COCCN1CCO)c1ccc2oc(=O)nc-2[n-]1 ZINC001051207439 817877888 /nfs/dbraw/zinc/87/78/88/817877888.db2.gz SXGZGKQSZYHJGF-VIFPVBQESA-N -1 0 322.321 -0.649 20 0 DBADRM CCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001051322607 817898541 /nfs/dbraw/zinc/89/85/41/817898541.db2.gz GEVSVAWGVPQUIA-ZJUUUORDSA-N -1 0 322.365 -0.137 20 0 DBADRM CCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001051322605 817898631 /nfs/dbraw/zinc/89/86/31/817898631.db2.gz GEVSVAWGVPQUIA-UWVGGRQHSA-N -1 0 322.365 -0.137 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3ncccn3)C[C@@H]2O)c1[O-] ZINC001051670036 817994417 /nfs/dbraw/zinc/99/44/17/817994417.db2.gz SWSUTKBCRAWFRP-ZJUUUORDSA-N -1 0 318.337 -0.417 20 0 DBADRM CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001051706779 818009650 /nfs/dbraw/zinc/00/96/50/818009650.db2.gz MYMYCSLZCBJSMR-SCZZXKLOSA-N -1 0 323.353 -0.554 20 0 DBADRM C[C@@H]1CN(C(=O)C2CC2)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001051720952 818017104 /nfs/dbraw/zinc/01/71/04/818017104.db2.gz KKPVEYLUEADXNX-PSASIEDQSA-N -1 0 323.353 -0.690 20 0 DBADRM NC(=O)CC(=O)N1CCC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001054107300 818082272 /nfs/dbraw/zinc/08/22/72/818082272.db2.gz ZAPZDFLWIQINCL-AWEZNQCLSA-N -1 0 322.369 -0.800 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](NCc3cn(C)nn3)C2)c1[O-] ZINC001054572420 818141933 /nfs/dbraw/zinc/14/19/33/818141933.db2.gz MVDKMVFLAGHQCR-KCJUWKMLSA-N -1 0 319.369 -0.197 20 0 DBADRM CC(=O)N1C[C@@H]2CN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC001055114179 818214681 /nfs/dbraw/zinc/21/46/81/818214681.db2.gz HHUVEKXOVBWUNU-PHIMTYICSA-N -1 0 323.353 -0.594 20 0 DBADRM Cc1ccnc(N2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)n1 ZINC001055870322 818323481 /nfs/dbraw/zinc/32/34/81/818323481.db2.gz XIOVPJAECBOJQQ-UHFFFAOYSA-N -1 0 319.325 -0.863 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(c2cccc(F)n2)CC1 ZINC001055869929 818323575 /nfs/dbraw/zinc/32/35/75/818323575.db2.gz OVXBZLARYOQEMZ-UHFFFAOYSA-N -1 0 322.300 -0.428 20 0 DBADRM CCC(=O)N(CCO)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001056726867 818439999 /nfs/dbraw/zinc/43/99/99/818439999.db2.gz WPKHXYCKFNESOG-UHFFFAOYSA-N -1 0 322.321 -0.111 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)c2ccco2)c1[O-] ZINC001056810903 818488014 /nfs/dbraw/zinc/48/80/14/818488014.db2.gz XIYNRXUGPAHBGN-UHFFFAOYSA-N -1 0 322.321 -0.119 20 0 DBADRM Cc1cc(N[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)ncn1 ZINC001056823343 818492345 /nfs/dbraw/zinc/49/23/45/818492345.db2.gz IOQQAPSTYIZWSG-MRVPVSSYSA-N -1 0 317.309 -0.292 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCCN(c2ncccn2)CC1 ZINC001057162498 818623462 /nfs/dbraw/zinc/62/34/62/818623462.db2.gz KNXYXLTUFYSHHJ-UHFFFAOYSA-N -1 0 319.325 -0.782 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)/C=C/C2CC2)c1[O-] ZINC001057267861 818671467 /nfs/dbraw/zinc/67/14/67/818671467.db2.gz JLXPBEPMVKKUSQ-SNAWJCMRSA-N -1 0 322.365 -0.059 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@H]2C[C@@H]2C)c1[O-] ZINC001057353599 818696270 /nfs/dbraw/zinc/69/62/70/818696270.db2.gz AKSYVZCTMKZTJD-WPRPVWTQSA-N -1 0 310.354 -0.370 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2C)c1[O-] ZINC001057353596 818696326 /nfs/dbraw/zinc/69/63/26/818696326.db2.gz AKSYVZCTMKZTJD-PSASIEDQSA-N -1 0 310.354 -0.370 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)c2ccc[nH]2)c1[O-] ZINC001057353990 818697234 /nfs/dbraw/zinc/69/72/34/818697234.db2.gz JKVUQQGGARQUDU-UHFFFAOYSA-N -1 0 321.337 -0.384 20 0 DBADRM C/C=C(\C)C(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057354104 818697291 /nfs/dbraw/zinc/69/72/91/818697291.db2.gz MTFITIGYPXTCQH-RUDMXATFSA-N -1 0 310.354 -0.059 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@H]2CC23CC3)c1[O-] ZINC001057356878 818697412 /nfs/dbraw/zinc/69/74/12/818697412.db2.gz DLHLGFJEPOYEKP-SNVBAGLBSA-N -1 0 322.365 -0.225 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)C2(C)CC2)c1[O-] ZINC001057357151 818697490 /nfs/dbraw/zinc/69/74/90/818697490.db2.gz IYZYSFRKWXXPNN-UHFFFAOYSA-N -1 0 310.354 -0.225 20 0 DBADRM CC(=O)NCCN(CCO)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001058152981 818874950 /nfs/dbraw/zinc/87/49/50/818874950.db2.gz JJBUWGIXWCNWRH-UHFFFAOYSA-N -1 0 308.294 -0.501 20 0 DBADRM O=C(N[C@H]1CCCN(c2ncccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001058269699 818900814 /nfs/dbraw/zinc/90/08/14/818900814.db2.gz FWAFTXNIOWYFET-QMMMGPOBSA-N -1 0 317.309 -0.528 20 0 DBADRM O=C(N[C@H]1CCN(c2ncccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001058604110 819005825 /nfs/dbraw/zinc/00/58/25/819005825.db2.gz QFOJCKMFWXGVBZ-ZETCQYMHSA-N -1 0 303.282 -0.919 20 0 DBADRM Cc1ccc(N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1 ZINC001058603556 819006046 /nfs/dbraw/zinc/00/60/46/819006046.db2.gz AXTFEORRAMLZBU-QMMMGPOBSA-N -1 0 317.309 -0.610 20 0 DBADRM Cc1ccnc(N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001058936743 819081267 /nfs/dbraw/zinc/08/12/67/819081267.db2.gz WEFNYGUYYZBNRV-VIFPVBQESA-N -1 0 319.325 -0.499 20 0 DBADRM CCC(=O)N1CC[C@@H](CCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001058952753 819089226 /nfs/dbraw/zinc/08/92/26/819089226.db2.gz XAGBXOQUPBPGCC-MRVPVSSYSA-N -1 0 309.326 -0.339 20 0 DBADRM CC(=O)N1CC[C@H](CCNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001058978469 819093533 /nfs/dbraw/zinc/09/35/33/819093533.db2.gz FTXDJDYUBNCQFW-JTQLQIEISA-N -1 0 308.338 -0.526 20 0 DBADRM CC(=O)N1CCCC[C@@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001061953609 819440736 /nfs/dbraw/zinc/44/07/36/819440736.db2.gz VJNRXOKQJQUERP-SNVBAGLBSA-N -1 0 323.353 -0.267 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@H]1CNc1ncccn1 ZINC001065045164 819806512 /nfs/dbraw/zinc/80/65/12/819806512.db2.gz FFAXYSQEUHWLPP-QMMMGPOBSA-N -1 0 317.309 -0.211 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2COCCN2c2ncccn2)c1[O-] ZINC001066474118 820007168 /nfs/dbraw/zinc/00/71/68/820007168.db2.gz DXGIYRSEJCOOTP-SNVBAGLBSA-N -1 0 318.337 -0.151 20 0 DBADRM CC(=O)N(C)CCCN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001066568693 820018142 /nfs/dbraw/zinc/01/81/42/820018142.db2.gz ZPFIYBNCGWXHBO-UHFFFAOYSA-N -1 0 320.353 -0.602 20 0 DBADRM CCCC(=O)N(C)CCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001066644948 820028498 /nfs/dbraw/zinc/02/84/98/820028498.db2.gz MVAPBJFZXLSTRW-UHFFFAOYSA-N -1 0 313.358 -0.204 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1Nc1ncccn1 ZINC001067128141 820074438 /nfs/dbraw/zinc/07/44/38/820074438.db2.gz YESOXLLDHHKUDN-DTWKUNHWSA-N -1 0 319.325 -0.562 20 0 DBADRM COCC(=O)N[C@H]1COC2(CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC001068652614 820221725 /nfs/dbraw/zinc/22/17/25/820221725.db2.gz QKPIJGVITAWKES-SECBINFHSA-N -1 0 324.337 -0.830 20 0 DBADRM C[C@@H]1[C@H](Nc2ncccn2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001068979634 820273820 /nfs/dbraw/zinc/27/38/20/820273820.db2.gz IQIHRHFBTLKGAF-HTQZYQBOSA-N -1 0 317.309 -0.212 20 0 DBADRM O=C(C1CC1)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070117555 820400949 /nfs/dbraw/zinc/40/09/49/820400949.db2.gz FGSJQGQZEGUMSS-ZJUUUORDSA-N -1 0 318.341 -0.947 20 0 DBADRM CC(=O)NCc1c[nH]nc1[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001070389761 820456832 /nfs/dbraw/zinc/45/68/32/820456832.db2.gz BBHKMUPRFCZLEB-SECBINFHSA-N -1 0 305.342 -0.141 20 0 DBADRM CC(C)=CC(=O)N[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001071058618 820614481 /nfs/dbraw/zinc/61/44/81/820614481.db2.gz VYBGNHLUASGZGE-SNVBAGLBSA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)C2=COCCO2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071329353 820670269 /nfs/dbraw/zinc/67/02/69/820670269.db2.gz KDQAWFIUNWFKDR-UWVGGRQHSA-N -1 0 323.353 -0.132 20 0 DBADRM CCC(=O)N1C[C@H](C)[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001071433481 820683713 /nfs/dbraw/zinc/68/37/13/820683713.db2.gz RUNXXIXNIPYKAP-WCBMZHEXSA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)c2cn(C)nn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071487745 820696095 /nfs/dbraw/zinc/69/60/95/820696095.db2.gz NFEFSZWSHGAIHR-IUCAKERBSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)c2nnc[nH]2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071912087 820805875 /nfs/dbraw/zinc/80/58/75/820805875.db2.gz WFWRJYDBAGPXHA-HTQZYQBOSA-N -1 0 306.330 -0.589 20 0 DBADRM CCCC(=O)N[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001072452308 820923224 /nfs/dbraw/zinc/92/32/24/820923224.db2.gz AZZKDGGISFPRNH-SFYZADRCSA-N -1 0 309.326 -0.340 20 0 DBADRM CCO[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072506823 820934765 /nfs/dbraw/zinc/93/47/65/820934765.db2.gz ZXGZZIJVBPAFMG-GHMZBOCLSA-N -1 0 321.381 -0.030 20 0 DBADRM CC[C@@H](OC)C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072533945 820945351 /nfs/dbraw/zinc/94/53/51/820945351.db2.gz XTRZTGQMRBRBMC-SNVBAGLBSA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(c1cocn1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072547211 820947784 /nfs/dbraw/zinc/94/77/84/820947784.db2.gz SJRHLKZVZSKHRV-UHFFFAOYSA-N -1 0 304.310 -0.154 20 0 DBADRM O=C(C[C@@H]1CCOC1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072573241 820956293 /nfs/dbraw/zinc/95/62/93/820956293.db2.gz YXIIBSVPKOKYPZ-NSHDSACASA-N -1 0 321.381 -0.029 20 0 DBADRM O=C(c1ncc[nH]1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072710716 820994025 /nfs/dbraw/zinc/99/40/25/820994025.db2.gz NGIOPWXVNWMONM-UHFFFAOYSA-N -1 0 303.326 -0.419 20 0 DBADRM COC1CC(C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)C1 ZINC001072838633 821029662 /nfs/dbraw/zinc/02/96/62/821029662.db2.gz YQPLXJTTYKMCBK-UHFFFAOYSA-N -1 0 321.381 -0.030 20 0 DBADRM O=C(c1cnon1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001073068544 821081722 /nfs/dbraw/zinc/08/17/22/821081722.db2.gz UGFOIBZIVWGLEZ-UHFFFAOYSA-N -1 0 305.298 -0.759 20 0 DBADRM Cc1nonc1C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001073487410 821137077 /nfs/dbraw/zinc/13/70/77/821137077.db2.gz ANFBUTSUBJZDTO-UHFFFAOYSA-N -1 0 319.325 -0.450 20 0 DBADRM O=C(C(F)F)N1CC[C@@H]2OCCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001074137628 821292391 /nfs/dbraw/zinc/29/23/91/821292391.db2.gz UPDGVUZBRWLHQM-YUMQZZPRSA-N -1 0 317.296 -0.423 20 0 DBADRM CCN1CCO[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001074391943 821354321 /nfs/dbraw/zinc/35/43/21/821354321.db2.gz BKJDZPDMOLMDII-NXEZZACHSA-N -1 0 311.342 -0.989 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC(O)(CNC(=O)C3CC3)CC2)c1[O-] ZINC001074550256 821384223 /nfs/dbraw/zinc/38/42/23/821384223.db2.gz TXNLMVFPMUNXIY-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001075059032 821482163 /nfs/dbraw/zinc/48/21/63/821482163.db2.gz YHRFMQNSYTVKOH-SCZZXKLOSA-N -1 0 323.353 -0.269 20 0 DBADRM C[C@@H](CCNC(=O)C(C)(F)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001075343390 821508094 /nfs/dbraw/zinc/50/80/94/821508094.db2.gz WEJRGOKMQGLPGS-LURJTMIESA-N -1 0 321.284 -0.645 20 0 DBADRM CC(C)CC(=O)NCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001075444316 821518919 /nfs/dbraw/zinc/51/89/19/821518919.db2.gz WNRKERXIGWPPCR-QMMMGPOBSA-N -1 0 311.342 -0.047 20 0 DBADRM O=C(C1CCOCC1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075479725 821522705 /nfs/dbraw/zinc/52/27/05/821522705.db2.gz AQRCGKUOVGOYKD-NWDGAFQWSA-N -1 0 321.381 -0.030 20 0 DBADRM CSCC(=O)NCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001075526631 821534474 /nfs/dbraw/zinc/53/44/74/821534474.db2.gz ZTHNFVIACRTMBU-LURJTMIESA-N -1 0 315.355 -0.730 20 0 DBADRM O=C(c1cn[nH]c1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075577251 821550059 /nfs/dbraw/zinc/55/00/59/821550059.db2.gz XPJWEUSCZGNMLL-WCBMZHEXSA-N -1 0 303.326 -0.420 20 0 DBADRM CC[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001075665410 821566682 /nfs/dbraw/zinc/56/66/82/821566682.db2.gz CJKCQHHSENUKST-IUCAKERBSA-N -1 0 313.358 -0.254 20 0 DBADRM CC[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001075665409 821567110 /nfs/dbraw/zinc/56/71/10/821567110.db2.gz CJKCQHHSENUKST-BDAKNGLRSA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CN(CC(=O)N(C)C)C[C@H]32)c1[O-] ZINC001075692421 821571569 /nfs/dbraw/zinc/57/15/69/821571569.db2.gz YCDSRDIVDCVHBF-WDEREUQCSA-N -1 0 321.381 -0.342 20 0 DBADRM CO[C@@H](C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1CC1 ZINC001075745252 821588170 /nfs/dbraw/zinc/58/81/70/821588170.db2.gz AVRAXUZFTOKTRC-DMDPSCGWSA-N -1 0 321.381 -0.032 20 0 DBADRM C[C@@H](CCNC(=O)C1CC=CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001076008558 821650382 /nfs/dbraw/zinc/65/03/82/821650382.db2.gz XJQNQHAMLIBDCV-QMMMGPOBSA-N -1 0 321.337 -0.126 20 0 DBADRM C[C@@H](CCNC(=O)C1CC(C)C1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001076110771 821665372 /nfs/dbraw/zinc/66/53/72/821665372.db2.gz UKHUOYVRZLRVOW-MGURRDGZSA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)Cn2cccn2)c1[O-] ZINC001076165641 821676480 /nfs/dbraw/zinc/67/64/80/821676480.db2.gz JLLAFSTUVVKWDZ-VIFPVBQESA-N -1 0 320.353 -0.055 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)C2(C(N)=O)CC2)c1[O-] ZINC001076167696 821677786 /nfs/dbraw/zinc/67/77/86/821677786.db2.gz KEACWFBPFYGPFM-ZETCQYMHSA-N -1 0 323.353 -0.686 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)Cn2nccn2)c1[O-] ZINC001076167982 821678059 /nfs/dbraw/zinc/67/80/59/821678059.db2.gz VMBBTCJDAUQSQW-QMMMGPOBSA-N -1 0 321.341 -0.660 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)c2cnnn2C)c1[O-] ZINC001076334191 821722272 /nfs/dbraw/zinc/72/22/72/821722272.db2.gz OZGFUWCMGKKMTH-ZETCQYMHSA-N -1 0 321.341 -0.509 20 0 DBADRM COCC(=O)N[C@@H](C)CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001076567416 821771886 /nfs/dbraw/zinc/77/18/86/821771886.db2.gz UOZUALXBWMCUMR-VIFPVBQESA-N -1 0 321.337 -0.706 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccc(F)cc1 ZINC001076683132 821805782 /nfs/dbraw/zinc/80/57/82/821805782.db2.gz DOVDOMYUYFGBKC-GHMZBOCLSA-N -1 0 321.312 -0.376 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccsc1 ZINC001076720813 821822619 /nfs/dbraw/zinc/82/26/19/821822619.db2.gz NWLALOWKQAOLJF-RKDXNWHRSA-N -1 0 309.351 -0.453 20 0 DBADRM O=C(C[C@@H]1C=CCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076725873 821824677 /nfs/dbraw/zinc/82/46/77/821824677.db2.gz KTGMMCKVFHQAER-GMTAPVOTSA-N -1 0 307.354 -0.472 20 0 DBADRM Cc1ccoc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076744996 821833054 /nfs/dbraw/zinc/83/30/54/821833054.db2.gz IFGCZLRATXFJLC-RKDXNWHRSA-N -1 0 307.310 -0.613 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccnc(F)c1 ZINC001076795506 821859006 /nfs/dbraw/zinc/85/90/06/821859006.db2.gz YAFARRSSAJKCGW-RKDXNWHRSA-N -1 0 322.300 -0.981 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC(F)(F)C1 ZINC001076862469 821893282 /nfs/dbraw/zinc/89/32/82/821893282.db2.gz VGDZYIVSIUUVRU-HTQZYQBOSA-N -1 0 317.296 -0.783 20 0 DBADRM Cc1[nH]ccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076860667 821893917 /nfs/dbraw/zinc/89/39/17/821893917.db2.gz LHJVIWJMGWTNCB-NXEZZACHSA-N -1 0 306.326 -0.878 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nccs3)C[C@H]2O)c1[O-] ZINC001076890246 821908206 /nfs/dbraw/zinc/90/82/06/821908206.db2.gz QWLJDJWPISFETJ-RKDXNWHRSA-N -1 0 323.378 -0.145 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)c1ccon1 ZINC001077577998 822159231 /nfs/dbraw/zinc/15/92/31/822159231.db2.gz IAWCWJBIYLBBON-LURJTMIESA-N -1 0 322.281 -0.791 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077576944 822159329 /nfs/dbraw/zinc/15/93/29/822159329.db2.gz JQJKWWYBGQIUQR-YUMQZZPRSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC12CC2 ZINC001077577813 822159503 /nfs/dbraw/zinc/15/95/03/822159503.db2.gz AIBDGFSWMFRASC-YUMQZZPRSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccco1 ZINC001077663544 822182383 /nfs/dbraw/zinc/18/23/83/822182383.db2.gz SXIUEKURSVYCSI-IVZWLZJFSA-N -1 0 321.337 -0.432 20 0 DBADRM CC(C)=CC(=O)N[C@@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077680084 822186440 /nfs/dbraw/zinc/18/64/40/822186440.db2.gz QKVGCDLNXCWTGZ-VIFPVBQESA-N -1 0 311.342 -0.334 20 0 DBADRM CSCC(=O)N[C@@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077679797 822186526 /nfs/dbraw/zinc/18/65/26/822186526.db2.gz DCYJPUFNFUKAQG-ZETCQYMHSA-N -1 0 317.371 -0.937 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1CC12CC2 ZINC001077681218 822188470 /nfs/dbraw/zinc/18/84/70/822188470.db2.gz PBDSERUVQNLBPK-DTWKUNHWSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@@H](CCNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1(C)CC1 ZINC001077707854 822197312 /nfs/dbraw/zinc/19/73/12/822197312.db2.gz DXOKIWPVBKYZKQ-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077746012 822212549 /nfs/dbraw/zinc/21/25/49/822212549.db2.gz KCBNDAGXTQPNEN-GJMOJQLCSA-N -1 0 309.326 -0.437 20 0 DBADRM CCc1oncc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077764248 822219287 /nfs/dbraw/zinc/21/92/87/822219287.db2.gz HXOCQGSEQIYHQF-RKDXNWHRSA-N -1 0 322.325 -0.964 20 0 DBADRM CC(=O)N[C@@H](C)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001077820185 822233457 /nfs/dbraw/zinc/23/34/57/822233457.db2.gz ILJHDFBPNYKVEC-QMMMGPOBSA-N -1 0 306.326 -0.898 20 0 DBADRM CCN(C)C(=O)CN1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001112768969 828406234 /nfs/dbraw/zinc/40/62/34/828406234.db2.gz QBWAIUFPRDQSMF-UHFFFAOYSA-N -1 0 309.370 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)c2cnon2)c1[O-] ZINC001077987541 822303287 /nfs/dbraw/zinc/30/32/87/822303287.db2.gz FNKOGOOOMMYQPA-LURJTMIESA-N -1 0 308.298 -0.255 20 0 DBADRM O=C(CCOCC1CC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001112846934 828422432 /nfs/dbraw/zinc/42/24/32/828422432.db2.gz FMGKZPFJLXNKFX-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@@H](C)Nc1ncccn1 ZINC001113249647 828474013 /nfs/dbraw/zinc/47/40/13/828474013.db2.gz WLJAHXSCIJOGJT-RKDXNWHRSA-N -1 0 318.337 -0.105 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H](C)Nc1ncc(F)cn1 ZINC001113364377 828488785 /nfs/dbraw/zinc/48/87/85/828488785.db2.gz MYZLLNLXRZVPSF-PHDIDXHHSA-N -1 0 323.288 -0.169 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)Nc1cnc(F)cn1 ZINC001113364264 828488832 /nfs/dbraw/zinc/48/88/32/828488832.db2.gz KZYZXPFCIHNTCI-NTSWFWBYSA-N -1 0 323.288 -0.169 20 0 DBADRM C[C@@H](Nc1cnc(F)cn1)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001113364266 828488874 /nfs/dbraw/zinc/48/88/74/828488874.db2.gz KZYZXPFCIHNTCI-RITPCOANSA-N -1 0 323.288 -0.169 20 0 DBADRM Cc1ccc(N(C)[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001113682322 828538682 /nfs/dbraw/zinc/53/86/82/828538682.db2.gz XBIAVZCQRCRAFO-VIFPVBQESA-N -1 0 321.341 -0.571 20 0 DBADRM CC[C@H](C)C(=O)NCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113642148 828532228 /nfs/dbraw/zinc/53/22/28/828532228.db2.gz ZUFSWGXSMUNWLO-JTQLQIEISA-N -1 0 324.385 -0.683 20 0 DBADRM CSCCC(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001113818995 828564502 /nfs/dbraw/zinc/56/45/02/828564502.db2.gz LVZPABVFWYVXOQ-GDGBQDQQSA-N -1 0 311.411 -0.592 20 0 DBADRM C[C@@H](CCNC(=O)[C@H]1CC12CC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001078724254 823824201 /nfs/dbraw/zinc/82/42/01/823824201.db2.gz WGKIFEXREOLKHO-JGVFFNPUSA-N -1 0 321.337 -0.293 20 0 DBADRM CCC(=O)N(CC)C1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001079177050 823847629 /nfs/dbraw/zinc/84/76/29/823847629.db2.gz FVEJPYVMBBZYBE-UHFFFAOYSA-N -1 0 323.353 -0.315 20 0 DBADRM CCN(C(=O)C(C)C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001079324069 823868274 /nfs/dbraw/zinc/86/82/74/823868274.db2.gz ZLQFBHZDJCWTAF-UHFFFAOYSA-N -1 0 311.342 -0.595 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnccn1 ZINC001079373069 823873892 /nfs/dbraw/zinc/87/38/92/823873892.db2.gz LSEOJVZPQSMTOT-PSASIEDQSA-N -1 0 303.326 -0.449 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cccc(=O)[nH]1 ZINC001079530865 823909183 /nfs/dbraw/zinc/90/91/83/823909183.db2.gz UHCUZSDBTZASAL-PSASIEDQSA-N -1 0 318.337 -0.139 20 0 DBADRM C/C=C(\C)C(=O)N(CC)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001079578889 823918217 /nfs/dbraw/zinc/91/82/17/823918217.db2.gz QRNASKCPDMNLIX-XBXARRHUSA-N -1 0 321.337 -0.078 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nncn3C)C[C@H]2C)c1[O-] ZINC001079577501 823918355 /nfs/dbraw/zinc/91/83/55/823918355.db2.gz GLIKGINAYDVZGR-PSASIEDQSA-N -1 0 319.369 -0.197 20 0 DBADRM CCN(C(=O)C1(C)CC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001079902694 823980165 /nfs/dbraw/zinc/98/01/65/823980165.db2.gz KDFQCIIZSCHBST-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM Cc1cc(N(C)[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001113967371 828597424 /nfs/dbraw/zinc/59/74/24/828597424.db2.gz BXQJDCILQPANEU-QMMMGPOBSA-N -1 0 319.325 -0.364 20 0 DBADRM C/C=C(\C)C(=O)N1CC(N(CC)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001080201100 824011846 /nfs/dbraw/zinc/01/18/46/824011846.db2.gz PNZCANPEVMNDAF-RUDMXATFSA-N -1 0 323.353 -0.285 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C=C(C)C)C1 ZINC001080200870 824011880 /nfs/dbraw/zinc/01/18/80/824011880.db2.gz MNXZSBKOADDDLU-UHFFFAOYSA-N -1 0 323.353 -0.285 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001080233570 824016961 /nfs/dbraw/zinc/01/69/61/824016961.db2.gz OZOOWNAGOTVPGR-GMSGAONNSA-N -1 0 305.342 -0.208 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccncn1 ZINC001080640015 824067305 /nfs/dbraw/zinc/06/73/05/824067305.db2.gz FWJIDXDJXMAPFC-PSASIEDQSA-N -1 0 303.326 -0.449 20 0 DBADRM Cc1nc[nH]c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001081056066 824124631 /nfs/dbraw/zinc/12/46/31/824124631.db2.gz KMUWPDUPTVTDQB-VXNVDRBHSA-N -1 0 305.342 -0.208 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC3CC3)C2)c1[O-] ZINC001081163204 824144641 /nfs/dbraw/zinc/14/46/41/824144641.db2.gz GADSRYGBLGNHPG-MNOVXSKESA-N -1 0 322.365 -0.227 20 0 DBADRM CO[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1NC(C)=O ZINC001081238657 824175455 /nfs/dbraw/zinc/17/54/55/824175455.db2.gz MTOCYVWTQSLFOD-VXGBXAGGSA-N -1 0 305.338 -0.642 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C(C)(F)F ZINC001081274440 824186124 /nfs/dbraw/zinc/18/61/24/824186124.db2.gz YTHCLJBDHXFWIS-RNFRBKRXSA-N -1 0 305.285 -0.519 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3(C)CC3)C2)c1[O-] ZINC001081541870 824289407 /nfs/dbraw/zinc/28/94/07/824289407.db2.gz LXPWNQUFXQKPTR-VHSXEESVSA-N -1 0 322.365 -0.227 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1coc(C)n1 ZINC001081579187 824303307 /nfs/dbraw/zinc/30/33/07/824303307.db2.gz QGJZWGIMHFRDIX-PSASIEDQSA-N -1 0 322.325 -0.564 20 0 DBADRM C[C@](O)(CC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1CC1 ZINC001114148200 828635157 /nfs/dbraw/zinc/63/51/57/828635157.db2.gz BZARTXJOXNZNFP-VWFLFCASSA-N -1 0 321.381 -0.392 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1CC1(F)F ZINC001081638174 824319280 /nfs/dbraw/zinc/31/92/80/824319280.db2.gz MPCKXAZMCCUJDY-BWZBUEFSSA-N -1 0 317.296 -0.519 20 0 DBADRM CO[C@@H]1CN(CCF)C[C@H]1NC(=O)c1c[n-]n2c1nccc2=O ZINC001082210797 824408907 /nfs/dbraw/zinc/40/89/07/824408907.db2.gz RXWFWJGZCNVTFL-GHMZBOCLSA-N -1 0 323.328 -0.579 20 0 DBADRM O=C(c1ccon1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083012831 824480146 /nfs/dbraw/zinc/48/01/46/824480146.db2.gz CZTQOWZDXZRVEM-VHSXEESVSA-N -1 0 320.309 -0.776 20 0 DBADRM C/C=C(\C)C(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]21 ZINC001083043391 824486195 /nfs/dbraw/zinc/48/61/95/824486195.db2.gz CIRLICKGMUEHNK-PEXLVHELSA-N -1 0 321.381 -0.514 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H]3CN(C[C@H](C)O)C[C@@H]32)c1[O-] ZINC001083052067 824487462 /nfs/dbraw/zinc/48/74/62/824487462.db2.gz ASNCNPJOSCKKGQ-INTQDDNPSA-N -1 0 310.354 -0.670 20 0 DBADRM O=C(CCc1ncc[nH]1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114206612 828654407 /nfs/dbraw/zinc/65/44/07/828654407.db2.gz MYXVPIUPMGTALD-WOFXILAISA-N -1 0 317.353 -0.587 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccc(F)cc1 ZINC001083310111 824537227 /nfs/dbraw/zinc/53/72/27/824537227.db2.gz DOVDOMYUYFGBKC-MNOVXSKESA-N -1 0 321.312 -0.376 20 0 DBADRM Cc1ccccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083317390 824540548 /nfs/dbraw/zinc/54/05/48/824540548.db2.gz UDBNENYEMROZSD-NEPJUHHUSA-N -1 0 317.349 -0.206 20 0 DBADRM Cc1noc(C)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083332526 824549428 /nfs/dbraw/zinc/54/94/28/824549428.db2.gz BPTUMAXVOTYJNN-BDAKNGLRSA-N -1 0 322.325 -0.910 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@@H]1CC=CCC1 ZINC001083336447 824551865 /nfs/dbraw/zinc/55/18/65/824551865.db2.gz XYSJFHUFNCOEEX-MXWKQRLJSA-N -1 0 307.354 -0.472 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C/C=C/Cl)C[C@@H]2O)c1[O-] ZINC001083409829 824606067 /nfs/dbraw/zinc/60/60/67/824606067.db2.gz KDXGMRSZRCXCSK-ALCGYSGWSA-N -1 0 300.746 -0.049 20 0 DBADRM Cc1cc(CN2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)no1 ZINC001083410280 824606492 /nfs/dbraw/zinc/60/64/92/824606492.db2.gz ZYPLJCVFPHAYEM-MNOVXSKESA-N -1 0 321.337 -0.305 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cnsn3)C[C@@H]2O)c1[O-] ZINC001083410076 824606617 /nfs/dbraw/zinc/60/66/17/824606617.db2.gz SHYHGLHSQMQMAP-BDAKNGLRSA-N -1 0 324.366 -0.750 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@H]1CCCC12CC2 ZINC001083567381 824676801 /nfs/dbraw/zinc/67/68/01/824676801.db2.gz WPSFCYJOYVUNRD-MXWKQRLJSA-N -1 0 321.381 -0.248 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C12CCC(CC1)C2 ZINC001083574237 824679958 /nfs/dbraw/zinc/67/99/58/824679958.db2.gz NSEPFEBULQJTFJ-WWALYXLFSA-N -1 0 321.381 -0.248 20 0 DBADRM O=C(C[C@@H]1CC=CCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083702731 824737714 /nfs/dbraw/zinc/73/77/14/824737714.db2.gz PEYVUQGQMDQUBG-UTUOFQBUSA-N -1 0 321.381 -0.082 20 0 DBADRM C[C@@]1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C=CCC1 ZINC001083706429 824740082 /nfs/dbraw/zinc/74/00/82/824740082.db2.gz ALOPWFKCIXDOTH-ISTVAULSSA-N -1 0 307.354 -0.472 20 0 DBADRM CC(C)(C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC1 ZINC001083712071 824742070 /nfs/dbraw/zinc/74/20/70/824742070.db2.gz KNACCXHOAJCZRN-ZJUUUORDSA-N -1 0 309.370 -0.392 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@]12C[C@H]1CCCC2 ZINC001083762924 824764193 /nfs/dbraw/zinc/76/41/93/824764193.db2.gz SZTURVCYPUFMMH-YYHMBLRTSA-N -1 0 321.381 -0.248 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083761361 824764574 /nfs/dbraw/zinc/76/45/74/824764574.db2.gz DPVGRHUBMXZJBS-DBIOUOCHSA-N -1 0 309.370 -0.392 20 0 DBADRM CCc1ncoc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083764501 824765133 /nfs/dbraw/zinc/76/51/33/824765133.db2.gz JVCAIRITTIPKCS-BDAKNGLRSA-N -1 0 322.325 -0.964 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccco1 ZINC001083773577 824767676 /nfs/dbraw/zinc/76/76/76/824767676.db2.gz SXIUEKURSVYCSI-AEJSXWLSSA-N -1 0 321.337 -0.432 20 0 DBADRM O=C(N[C@@H]1CN(CCO)C[C@@H]1O)c1n[n-]c2ccccc2c1=O ZINC001083826661 824785512 /nfs/dbraw/zinc/78/55/12/824785512.db2.gz DWHCXCYENHXBFE-NEPJUHHUSA-N -1 0 318.333 -0.897 20 0 DBADRM O=C(N[C@@H]1CN(CCF)C[C@@H]1O)c1ccc2oc(=O)nc-2[n-]1 ZINC001083950628 824840266 /nfs/dbraw/zinc/84/02/66/824840266.db2.gz STSKSWVVUPEOBP-BDAKNGLRSA-N -1 0 310.285 -0.327 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cc1 ZINC001083988688 824850260 /nfs/dbraw/zinc/85/02/60/824850260.db2.gz IVLFBQAXDRPANC-NEPJUHHUSA-N -1 0 317.349 -0.206 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCC=CCC1 ZINC001084066325 824879485 /nfs/dbraw/zinc/87/94/85/824879485.db2.gz ABVYWOUIINTZOC-NEPJUHHUSA-N -1 0 321.381 -0.082 20 0 DBADRM O=C(c1cnns1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084211726 824909936 /nfs/dbraw/zinc/90/99/36/824909936.db2.gz IXAIPFZARVWZJV-HTQZYQBOSA-N -1 0 321.366 -0.292 20 0 DBADRM O=C(C[C@@H]1CCOC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084245506 824916143 /nfs/dbraw/zinc/91/61/43/824916143.db2.gz WCWJVAGFEJBQBJ-QJPTWQEYSA-N -1 0 321.381 -0.030 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCN([C@@H]4CCNC4=O)C[C@H]32)c1[O-] ZINC001084284933 824919459 /nfs/dbraw/zinc/91/94/59/824919459.db2.gz SONOCUQHKGGTDY-GMTAPVOTSA-N -1 0 319.365 -0.541 20 0 DBADRM O=C(N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@]12C[C@H]1COC2 ZINC001084359096 824930507 /nfs/dbraw/zinc/93/05/07/824930507.db2.gz HJVCXXQIFQRVNO-RSQPEXBXSA-N -1 0 319.365 -0.421 20 0 DBADRM CC(C)(C(N)=O)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084426270 824937456 /nfs/dbraw/zinc/93/74/56/824937456.db2.gz XPABKSOCSDSHNL-RKDXNWHRSA-N -1 0 322.369 -0.946 20 0 DBADRM O=C(CCc1ccon1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114572072 828713535 /nfs/dbraw/zinc/71/35/35/828713535.db2.gz ZQBIBMHNNYWYLG-IWIIMEHWSA-N -1 0 318.337 -0.323 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084670479 824963486 /nfs/dbraw/zinc/96/34/86/824963486.db2.gz UPIAPMFEWOOYET-UZWSLXQKSA-N -1 0 321.381 -0.032 20 0 DBADRM O=C(c1cccnn1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084734335 824970996 /nfs/dbraw/zinc/97/09/96/824970996.db2.gz JENBXDVNVSYCJK-MWLCHTKSSA-N -1 0 315.337 -0.353 20 0 DBADRM CO[C@@H](C)C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001084898900 824990823 /nfs/dbraw/zinc/99/08/23/824990823.db2.gz JPIVASCTUWRWEU-AXFHLTTASA-N -1 0 309.370 -0.032 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cnns1 ZINC001085500898 825027724 /nfs/dbraw/zinc/02/77/24/825027724.db2.gz NCOQNBISVLZZRL-SSDOTTSWSA-N -1 0 309.355 -0.292 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001085503048 825029052 /nfs/dbraw/zinc/02/90/52/825029052.db2.gz NOIHJRYUKUNLPK-SECBINFHSA-N -1 0 305.342 -0.112 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ccnn1C ZINC001085512002 825030324 /nfs/dbraw/zinc/03/03/24/825030324.db2.gz JODRNEILYLQMPM-SECBINFHSA-N -1 0 305.342 -0.410 20 0 DBADRM Cc1nn(C)cc1C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085520207 825032456 /nfs/dbraw/zinc/03/24/56/825032456.db2.gz HOFKWRGGXJQBPE-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1nc(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)c[nH]1 ZINC001085520076 825032478 /nfs/dbraw/zinc/03/24/78/825032478.db2.gz DRCVPZQZURELKX-SECBINFHSA-N -1 0 305.342 -0.112 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cnn(C)c1N ZINC001085559990 825044732 /nfs/dbraw/zinc/04/47/32/825044732.db2.gz CDODCAVCDQSBGX-MRVPVSSYSA-N -1 0 320.357 -0.828 20 0 DBADRM Cc1cn(C)nc1C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085591821 825058936 /nfs/dbraw/zinc/05/89/36/825058936.db2.gz UAVMZMSMYKKPMI-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCC(=O)NC1 ZINC001085688117 825084215 /nfs/dbraw/zinc/08/42/15/825084215.db2.gz BVLGYSAARGXNRE-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1n[nH]cc1C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085752787 825097001 /nfs/dbraw/zinc/09/70/01/825097001.db2.gz PBIPGXWGKVWHEW-VIFPVBQESA-N -1 0 305.342 -0.112 20 0 DBADRM Cc1c[nH]c(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001085864021 825126131 /nfs/dbraw/zinc/12/61/31/825126131.db2.gz PZNDSZKKGDLUIB-VIFPVBQESA-N -1 0 305.342 -0.112 20 0 DBADRM Cc1nonc1C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085999834 825154310 /nfs/dbraw/zinc/15/43/10/825154310.db2.gz VKKLCTWSNRNQSY-MRVPVSSYSA-N -1 0 307.314 -0.452 20 0 DBADRM O=C(NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[nH]1)C1CC1 ZINC001087254238 825321062 /nfs/dbraw/zinc/32/10/62/825321062.db2.gz ZDQYWXBUJBGJFD-UHFFFAOYSA-N -1 0 319.325 -0.678 20 0 DBADRM CC1(C)[C@H](NC(=O)C(N)=O)[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)[C@H]21 ZINC001087302073 825326203 /nfs/dbraw/zinc/32/62/03/825326203.db2.gz MZZGKCUCLGGLPG-SZEHBUNVSA-N -1 0 322.369 -0.899 20 0 DBADRM C[C@@H](CCCNc1ncccn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001114974036 828767039 /nfs/dbraw/zinc/76/70/39/828767039.db2.gz WUMMRRYVUKWKBL-VIFPVBQESA-N -1 0 321.341 -0.124 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cnns2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088481636 825426729 /nfs/dbraw/zinc/42/67/29/825426729.db2.gz QAYGYHBXRUXMEW-RQJHMYQMSA-N -1 0 309.355 -0.245 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cnsn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088481353 825426973 /nfs/dbraw/zinc/42/69/73/825426973.db2.gz ZYLHSNZUNDANIH-RQJHMYQMSA-N -1 0 309.355 -0.245 20 0 DBADRM Cc1cnn(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)c1 ZINC001088485502 825428260 /nfs/dbraw/zinc/42/82/60/825428260.db2.gz NIOXDIXWDBANMO-MNOVXSKESA-N -1 0 319.369 -0.206 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2nccnc2N)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088497564 825429378 /nfs/dbraw/zinc/42/93/78/825429378.db2.gz DLSMKJKEIPMCLE-SFYZADRCSA-N -1 0 318.341 -0.725 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088538037 825435975 /nfs/dbraw/zinc/43/59/75/825435975.db2.gz CUNRAXXLJVYGLR-APPZFPTMSA-N -1 0 320.357 -0.781 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088801083 825462208 /nfs/dbraw/zinc/46/22/08/825462208.db2.gz IMXGADRAAVRLIG-UTLUCORTSA-N -1 0 322.369 -0.790 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088805102 825462978 /nfs/dbraw/zinc/46/29/78/825462978.db2.gz UONVVPPUHMOVFK-UTLUCORTSA-N -1 0 322.369 -0.932 20 0 DBADRM Cc1ncc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)n1C ZINC001088818414 825463591 /nfs/dbraw/zinc/46/35/91/825463591.db2.gz ODRZFEVPHAEQAR-SCZZXKLOSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1ccn(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)n1 ZINC001088866581 825471269 /nfs/dbraw/zinc/47/12/69/825471269.db2.gz YZRDQTTTWCVDJJ-MNOVXSKESA-N -1 0 319.369 -0.206 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2ccncn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088930446 825477422 /nfs/dbraw/zinc/47/74/22/825477422.db2.gz DDSXGYKBCBVAAG-BDAKNGLRSA-N -1 0 303.326 -0.307 20 0 DBADRM CCn1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)nn1 ZINC001088947208 825478518 /nfs/dbraw/zinc/47/85/18/825478518.db2.gz OJWSQYNEYRQSKV-BDAKNGLRSA-N -1 0 320.357 -0.486 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)CCN1CC(N)=O ZINC001088978258 825482371 /nfs/dbraw/zinc/48/23/71/825482371.db2.gz HWJPSBDBQVRFAP-SFYZADRCSA-N -1 0 319.321 -0.394 20 0 DBADRM NC(=O)CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001115100721 828787140 /nfs/dbraw/zinc/78/71/40/828787140.db2.gz HRQCSJISTFUFQO-WOFXILAISA-N -1 0 322.369 -0.898 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cccs1 ZINC001090039788 825551740 /nfs/dbraw/zinc/55/17/40/825551740.db2.gz YQJLQMTWRIAPKK-DTWKUNHWSA-N -1 0 323.378 -0.063 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)no1 ZINC001090033373 825551858 /nfs/dbraw/zinc/55/18/58/825551858.db2.gz ZUHWLMBAPPLVAY-WPRPVWTQSA-N -1 0 322.325 -0.828 20 0 DBADRM O=C(C=C1CCC1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090186142 825590074 /nfs/dbraw/zinc/59/00/74/825590074.db2.gz MCDZSXYCVAHXTM-QWRGUYRKSA-N -1 0 307.354 -0.328 20 0 DBADRM O=C(C=C1CCC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090186140 825590548 /nfs/dbraw/zinc/59/05/48/825590548.db2.gz MCDZSXYCVAHXTM-MNOVXSKESA-N -1 0 307.354 -0.328 20 0 DBADRM Cn1ccc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1 ZINC001090187981 825591577 /nfs/dbraw/zinc/59/15/77/825591577.db2.gz BUJCKOKHXWPBNJ-GHMZBOCLSA-N -1 0 320.353 -0.786 20 0 DBADRM Cn1ccc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1 ZINC001090187984 825591874 /nfs/dbraw/zinc/59/18/74/825591874.db2.gz BUJCKOKHXWPBNJ-MNOVXSKESA-N -1 0 320.353 -0.786 20 0 DBADRM Cc1cc[nH]c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090237555 825605086 /nfs/dbraw/zinc/60/50/86/825605086.db2.gz PDYXSFYMFWEEGS-VHSXEESVSA-N -1 0 320.353 -0.488 20 0 DBADRM CC1(C)CC(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C1 ZINC001090243545 825607484 /nfs/dbraw/zinc/60/74/84/825607484.db2.gz HKKTYAKFXPOTAH-MNOVXSKESA-N -1 0 323.397 -0.002 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccns1 ZINC001090302996 825629298 /nfs/dbraw/zinc/62/92/98/825629298.db2.gz HQTMZAADZGEULI-JGVFFNPUSA-N -1 0 324.366 -0.668 20 0 DBADRM Cc1nocc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090537436 825742626 /nfs/dbraw/zinc/74/26/26/825742626.db2.gz LKWLPPYBOOAZGB-ZJUUUORDSA-N -1 0 322.325 -0.828 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC2(CC2)C1 ZINC001090559758 825749302 /nfs/dbraw/zinc/74/93/02/825749302.db2.gz NIQIWVYVQBZBKP-QWRGUYRKSA-N -1 0 321.381 -0.248 20 0 DBADRM O=C(Cc1ccco1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090665379 825791486 /nfs/dbraw/zinc/79/14/86/825791486.db2.gz RSOSCARRGKUDIM-MNOVXSKESA-N -1 0 321.337 -0.603 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CC(NCc3nnnn3C)C2)c1[O-] ZINC001090985763 825893816 /nfs/dbraw/zinc/89/38/16/825893816.db2.gz BBGQKXXSSOHPLT-UHFFFAOYSA-N -1 0 320.357 -0.755 20 0 DBADRM COCc1noc(CNCCCNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001156620613 831992561 /nfs/dbraw/zinc/99/25/61/831992561.db2.gz OKHXOKJTVCHHEZ-UHFFFAOYSA-N -1 0 324.341 -0.137 20 0 DBADRM C[C@]12CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]1C[N@H+](CCF)C2 ZINC001092233753 826018580 /nfs/dbraw/zinc/01/85/80/826018580.db2.gz TYBQWGJQAIORMX-RNCFNFMXSA-N -1 0 313.333 -0.561 20 0 DBADRM CC1(C)OCCC12CCN(C(=O)[C@@H]([NH3+])Cc1nnn[n-]1)CC2 ZINC001161239425 832994190 /nfs/dbraw/zinc/99/41/90/832994190.db2.gz KVOUHAUDGDYNFX-JTQLQIEISA-N -1 0 308.386 -0.123 20 0 DBADRM CC(C)C(=O)N1CC(n2cc(CNCc3n[nH]c(=O)[n-]3)nn2)C1 ZINC001093305157 826116353 /nfs/dbraw/zinc/11/63/53/826116353.db2.gz AWVPUPUZUFFYCL-UHFFFAOYSA-N -1 0 320.357 -0.569 20 0 DBADRM O=C(NCCNc1cncc(Cl)n1)c1n[nH]c(=O)[n-]c1=O ZINC001094253333 826210761 /nfs/dbraw/zinc/21/07/61/826210761.db2.gz LKYQPIIHWUABSQ-UHFFFAOYSA-N -1 0 311.689 -0.432 20 0 DBADRM Cc1cn2nc(C(=O)N(C)Cc3n[n-]c(=O)o3)cc2c(=O)[nH]1 ZINC001161476070 833022451 /nfs/dbraw/zinc/02/24/51/833022451.db2.gz GRFMZIWYSRYYGW-UHFFFAOYSA-N -1 0 304.266 -0.308 20 0 DBADRM Cc1cc(NCCCNC(=O)Cn2c(=O)[n-][nH]c2=O)nc(C)n1 ZINC001094527972 826246743 /nfs/dbraw/zinc/24/67/43/826246743.db2.gz YNWAJMBRVIFDLK-UHFFFAOYSA-N -1 0 321.341 -0.285 20 0 DBADRM Cc1nsc(NCCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001094527821 826246860 /nfs/dbraw/zinc/24/68/60/826246860.db2.gz SMLBMMJOTLUFGP-UHFFFAOYSA-N -1 0 313.343 -0.532 20 0 DBADRM CCN1C[C@H](C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)CC1=O ZINC001274076858 833026968 /nfs/dbraw/zinc/02/69/68/833026968.db2.gz WPVMXNMFIZYYAF-HMDXOVGESA-N -1 0 322.369 -0.859 20 0 DBADRM Cc1ccnc(NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001094887964 826298210 /nfs/dbraw/zinc/29/82/10/826298210.db2.gz JJQFOYUKLFHEJY-UHFFFAOYSA-N -1 0 305.298 -0.387 20 0 DBADRM Cc1cc(C)nc(NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001094888824 826298430 /nfs/dbraw/zinc/29/84/30/826298430.db2.gz ZMWLGVIKKWOXFO-UHFFFAOYSA-N -1 0 319.325 -0.078 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H]2CCNC2=O)c1[O-] ZINC001095323015 826316162 /nfs/dbraw/zinc/31/61/62/826316162.db2.gz HGMTVQRAYFGHIR-RCWTZXSCSA-N -1 0 319.365 -0.353 20 0 DBADRM Cc1cc(N(C)CCCNC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001095606677 826334934 /nfs/dbraw/zinc/33/49/34/826334934.db2.gz YIDNNJAWCHSHDU-UHFFFAOYSA-N -1 0 321.341 -0.570 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1cc(F)ncn1 ZINC001095781530 826344965 /nfs/dbraw/zinc/34/49/65/826344965.db2.gz AEEZEPLZCGUMTI-UHFFFAOYSA-N -1 0 323.288 -0.532 20 0 DBADRM Cc1nccc(N(C)CCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001095781674 826345282 /nfs/dbraw/zinc/34/52/82/826345282.db2.gz LFECFYIHGJINBG-UHFFFAOYSA-N -1 0 319.325 -0.362 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cccnn1 ZINC001096220471 826363785 /nfs/dbraw/zinc/36/37/85/826363785.db2.gz ZMPBYLDDUIGXKX-MIMYLULJSA-N -1 0 315.337 -0.164 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)C(N)=O)c1[O-] ZINC001096960154 826403670 /nfs/dbraw/zinc/40/36/70/826403670.db2.gz DJMHVPWVOSGNAP-JLIMGVALSA-N -1 0 307.354 -0.367 20 0 DBADRM Cc1ccc(N[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001097976318 826443244 /nfs/dbraw/zinc/44/32/44/826443244.db2.gz DGRIMHMOVAURCK-MRVPVSSYSA-N -1 0 307.314 -0.595 20 0 DBADRM Cc1cc(C)nc(N[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001097976855 826444044 /nfs/dbraw/zinc/44/40/44/826444044.db2.gz SYISLTUDXFPIDM-VIFPVBQESA-N -1 0 321.341 -0.287 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)Nc1nccnc1F ZINC001098178125 826452636 /nfs/dbraw/zinc/45/26/36/826452636.db2.gz BVNMQBKAGUMMGK-ZETCQYMHSA-N -1 0 322.300 -0.355 20 0 DBADRM CCc1noc(CNCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001161864182 833061424 /nfs/dbraw/zinc/06/14/24/833061424.db2.gz YHMZUTINKPSOPS-UHFFFAOYSA-N -1 0 323.313 -0.862 20 0 DBADRM CC1(C)CC[C@@H](CNC(=O)CC(N)=O)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001098993093 826542120 /nfs/dbraw/zinc/54/21/20/826542120.db2.gz LLRCQCYYPGPOFB-VIFPVBQESA-N -1 0 324.385 -0.508 20 0 DBADRM Cc1c[nH]c(C(=O)NCC=CCNCc2nc(=O)n(C)[nH]2)n1 ZINC001274429768 833076206 /nfs/dbraw/zinc/07/62/06/833076206.db2.gz GPPZGXGVYDCEAD-ARJAWSKDSA-N -1 0 305.342 -0.784 20 0 DBADRM Cc1nccc(N[C@@H](C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001099361085 826564975 /nfs/dbraw/zinc/56/49/75/826564975.db2.gz BXXBTSRDILHVHZ-QMMMGPOBSA-N -1 0 321.341 -0.205 20 0 DBADRM Cc1cc(N[C@@H](C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001099361196 826565336 /nfs/dbraw/zinc/56/53/36/826565336.db2.gz DEQWOHFWINRQLV-QMMMGPOBSA-N -1 0 321.341 -0.205 20 0 DBADRM O=C(C(F)F)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC001099549139 826570028 /nfs/dbraw/zinc/57/00/28/826570028.db2.gz RBQLUOHZRMWXOQ-UHFFFAOYSA-N -1 0 311.292 -0.068 20 0 DBADRM CC(C)CCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099662598 826608146 /nfs/dbraw/zinc/60/81/46/826608146.db2.gz ATSDXGNGDYKPSA-MNOVXSKESA-N -1 0 311.386 -0.002 20 0 DBADRM O=C(CC(F)(F)F)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099720319 826633699 /nfs/dbraw/zinc/63/36/99/826633699.db2.gz BPZVRLKGUBWYRB-BQBZGAKWSA-N -1 0 323.275 -0.486 20 0 DBADRM O=C(CCC1CC1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099753510 826650882 /nfs/dbraw/zinc/65/08/82/826650882.db2.gz VTFVMVGERRBPNB-QWRGUYRKSA-N -1 0 309.370 -0.248 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1cc(F)ncn1 ZINC001099787791 826665971 /nfs/dbraw/zinc/66/59/71/826665971.db2.gz ALAKVTAWTCKVQQ-ZCFIWIBFSA-N -1 0 323.288 -0.168 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1nccnc1F ZINC001099788304 826667494 /nfs/dbraw/zinc/66/74/94/826667494.db2.gz KHAFCBXHKMRHLV-LURJTMIESA-N -1 0 323.288 -0.168 20 0 DBADRM O=C(CCC(F)F)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099924571 826731963 /nfs/dbraw/zinc/73/19/63/826731963.db2.gz WUABAJIQSKFTQH-YUMQZZPRSA-N -1 0 319.312 -0.393 20 0 DBADRM CC1(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CC1 ZINC001099927332 826732000 /nfs/dbraw/zinc/73/20/00/826732000.db2.gz AGJKGAADPNWCMY-VHSXEESVSA-N -1 0 309.370 -0.248 20 0 DBADRM CC(C)C1(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CC1 ZINC001099996037 826765760 /nfs/dbraw/zinc/76/57/60/826765760.db2.gz HZWWQLSJJRQLKO-MNOVXSKESA-N -1 0 323.397 -0.002 20 0 DBADRM O=C1[N-]S(=O)(=O)c2cc(N[C@H]3CCS(=O)(=O)C3)ccc21 ZINC001162500171 833109971 /nfs/dbraw/zinc/10/99/71/833109971.db2.gz ALNLHKMHANBJJK-QMMMGPOBSA-N -1 0 316.360 -0.282 20 0 DBADRM CN(CCNC(=O)c1cnc([O-])n(C)c1=O)c1cc(F)ncn1 ZINC001100263504 826921441 /nfs/dbraw/zinc/92/14/41/826921441.db2.gz SRVPMGLDOBPVJW-UHFFFAOYSA-N -1 0 322.300 -0.719 20 0 DBADRM Cn1[n-]c(C(=O)N2CC3(CN(Cc4cn[nH]c4)C3)C2)cc1=O ZINC001274804318 833128349 /nfs/dbraw/zinc/12/83/49/833128349.db2.gz CVYNCVZQDORDEV-UHFFFAOYSA-N -1 0 302.338 -0.193 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccnc(C)n1 ZINC001100765438 827017338 /nfs/dbraw/zinc/01/73/38/827017338.db2.gz JAPOQMLCCGAWFN-UHFFFAOYSA-N -1 0 319.325 -0.362 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1nccnc1F ZINC001100765483 827017983 /nfs/dbraw/zinc/01/79/83/827017983.db2.gz LIJGEIKTYOGXGW-UHFFFAOYSA-N -1 0 323.288 -0.532 20 0 DBADRM CCOCC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101116116 827078274 /nfs/dbraw/zinc/07/82/74/827078274.db2.gz HKQPNLVFKRLROH-YGRLFVJLSA-N -1 0 309.370 -0.173 20 0 DBADRM NC(=O)[C@@]12C[C@@H]1CN(C(=O)c1ccccc1S(=O)(=O)[O-])C2 ZINC001275009319 833146348 /nfs/dbraw/zinc/14/63/48/833146348.db2.gz GIPASRBLHJEFQR-AMIZOPFISA-N -1 0 310.331 -0.119 20 0 DBADRM Cc1cn2c(ncc(C(=O)NCc3nnc([O-])n3C)c2=O)s1 ZINC001163567102 833158086 /nfs/dbraw/zinc/15/80/86/833158086.db2.gz KAFHZEAWQIPAJD-UHFFFAOYSA-N -1 0 320.334 -0.171 20 0 DBADRM Cc1ccc(NCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001102050491 827183141 /nfs/dbraw/zinc/18/31/41/827183141.db2.gz SCQPVWSMCFLSDJ-UHFFFAOYSA-N -1 0 305.298 -0.435 20 0 DBADRM COc1ccnc(NCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001102050551 827183806 /nfs/dbraw/zinc/18/38/06/827183806.db2.gz VSMWHUMXJLFCMU-UHFFFAOYSA-N -1 0 321.297 -0.735 20 0 DBADRM CN1CCN(c2ncc(N[C@@H]3SC(=O)[N-]C3=O)cn2)CC1 ZINC001163665839 833162291 /nfs/dbraw/zinc/16/22/91/833162291.db2.gz HGORIZGOEONMEY-SNVBAGLBSA-N -1 0 308.367 -0.051 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1ccnc(C)n1 ZINC001103158943 827269138 /nfs/dbraw/zinc/26/91/38/827269138.db2.gz UIRWTTMGXUMHJU-SECBINFHSA-N -1 0 321.341 -0.205 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)CNc1ncccn1 ZINC001104150293 827325202 /nfs/dbraw/zinc/32/52/02/827325202.db2.gz WSXNBBHQPKECEI-SECBINFHSA-N -1 0 318.337 -0.246 20 0 DBADRM C[C@H](CNc1ncccn1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001104747127 827368756 /nfs/dbraw/zinc/36/87/56/827368756.db2.gz HGKURCBKMCJUKK-SECBINFHSA-N -1 0 318.337 -0.152 20 0 DBADRM Cn1[n-]c(C(=O)NC23CC(C(=O)NCC4COC4)(C2)C3)cc1=O ZINC001275610133 833193850 /nfs/dbraw/zinc/19/38/50/833193850.db2.gz ORCDLOGFKWBMGQ-UHFFFAOYSA-N -1 0 320.349 -0.459 20 0 DBADRM Cc1ccnc(NC[C@@H](C)N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001104880933 827377486 /nfs/dbraw/zinc/37/74/86/827377486.db2.gz BILQMZRBWDTQEN-MRVPVSSYSA-N -1 0 319.325 -0.046 20 0 DBADRM CC[C@]1(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001275583982 833193082 /nfs/dbraw/zinc/19/30/82/833193082.db2.gz YWMANJNJFOVLCO-OTYXRUKQSA-N -1 0 324.385 -0.637 20 0 DBADRM Cn1[n-]c(C(=O)N2CC3(C[C@H]3C(=O)N3CC=CC3)C2)cc1=O ZINC001275613855 833194384 /nfs/dbraw/zinc/19/43/84/833194384.db2.gz PTLRFTQYXUEJOM-JTQLQIEISA-N -1 0 302.334 -0.014 20 0 DBADRM COC(=O)c1coc(CNC(=O)c2c[n-]n3c2nccc3=O)n1 ZINC001164490114 833212821 /nfs/dbraw/zinc/21/28/21/833212821.db2.gz LCNUPZGIJDZZBJ-UHFFFAOYSA-N -1 0 317.261 -0.273 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1cc(=O)n2ccccc2n1 ZINC001164405340 833206860 /nfs/dbraw/zinc/20/68/60/833206860.db2.gz SBXSZYPUSFTRSD-UHFFFAOYSA-N -1 0 316.277 -0.986 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNc2ccc(C)nn2)c1[O-] ZINC001105819503 827521776 /nfs/dbraw/zinc/52/17/76/827521776.db2.gz FDAADCQAQOSNPO-VIFPVBQESA-N -1 0 306.326 -0.275 20 0 DBADRM CCn1c(N)c(Nc2cncc(C(=O)[O-])n2)c(=O)n(CC)c1=O ZINC001164462262 833211596 /nfs/dbraw/zinc/21/15/96/833211596.db2.gz YISBURXSXSCJKB-UHFFFAOYSA-N -1 0 320.309 -0.136 20 0 DBADRM C[C@H](CNC(=O)C(N)=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001275922046 833222238 /nfs/dbraw/zinc/22/22/38/833222238.db2.gz XXRBQUNXEDWNEC-SSDOTTSWSA-N -1 0 323.378 -0.181 20 0 DBADRM C[C@H](CCNc1cnc(F)cn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001106643807 827667702 /nfs/dbraw/zinc/66/77/02/827667702.db2.gz HHBMVULIURCTJZ-ZCFIWIBFSA-N -1 0 323.288 -0.168 20 0 DBADRM C[C@@H](CCNc1nccnc1F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001106644591 827667928 /nfs/dbraw/zinc/66/79/28/827667928.db2.gz UZYNWYAZZXDOSQ-LURJTMIESA-N -1 0 323.288 -0.168 20 0 DBADRM CCN(CCNc1ncccn1)C(=O)c1cnc([O-])n(C)c1=O ZINC001106919395 827685900 /nfs/dbraw/zinc/68/59/00/827685900.db2.gz IEEZYRPDWWOBQF-UHFFFAOYSA-N -1 0 318.337 -0.150 20 0 DBADRM CCN(CCNc1ncc(F)cn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001107000619 827691658 /nfs/dbraw/zinc/69/16/58/827691658.db2.gz IDOUMUMNVIYQBW-UHFFFAOYSA-N -1 0 323.288 -0.214 20 0 DBADRM CCN(CCNc1nccnc1F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001107001137 827692224 /nfs/dbraw/zinc/69/22/24/827692224.db2.gz ZQCDROKCWZMHSS-UHFFFAOYSA-N -1 0 323.288 -0.214 20 0 DBADRM CN(C)C(=O)[C@H]1CCN(C(=O)c2cc(=O)[nH][n-]2)Cc2ccnn21 ZINC001276024641 833236579 /nfs/dbraw/zinc/23/65/79/833236579.db2.gz CHYFMAVXFHWMCS-LLVKDONJSA-N -1 0 318.337 -0.013 20 0 DBADRM CN(C)C(=O)c1nnc2n1CCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276025034 833237030 /nfs/dbraw/zinc/23/70/30/833237030.db2.gz KEKATYBOZQXPSX-UHFFFAOYSA-N -1 0 305.298 -0.935 20 0 DBADRM Cc1cc(NC/C=C/CNC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001107281260 827736583 /nfs/dbraw/zinc/73/65/83/827736583.db2.gz IIODDQHRXKBFTF-NSCUHMNNSA-N -1 0 319.325 -0.428 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC=CCNc1cnc(F)cn1 ZINC001107287246 827738528 /nfs/dbraw/zinc/73/85/28/827738528.db2.gz ODKXAMQKNVZPKH-UPHRSURJSA-N -1 0 323.288 -0.597 20 0 DBADRM Cc1nccc(NC/C=C\CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001107287035 827738774 /nfs/dbraw/zinc/73/87/74/827738774.db2.gz KEMBWMNHZSUDBV-IHWYPQMZSA-N -1 0 319.325 -0.428 20 0 DBADRM Cc1ccnc(NCC=CCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001107604960 827755933 /nfs/dbraw/zinc/75/59/33/827755933.db2.gz PFTIGLDCBVWRBO-NSCUHMNNSA-N -1 0 317.309 -0.221 20 0 DBADRM Cc1cc(NCC=CCNC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001107604999 827756364 /nfs/dbraw/zinc/75/63/64/827756364.db2.gz QZYXEFOMKHHFTL-IHWYPQMZSA-N -1 0 317.309 -0.221 20 0 DBADRM O=C(NCC=CCNc1cnc(F)cn1)c1n[nH]c(=O)[n-]c1=O ZINC001107604947 827756722 /nfs/dbraw/zinc/75/67/22/827756722.db2.gz ONXUCYZFETYLBO-OWOJBTEDSA-N -1 0 321.272 -0.390 20 0 DBADRM O=C(NCC=CCNc1ncc(F)cn1)c1n[nH]c(=O)[n-]c1=O ZINC001107604479 827756729 /nfs/dbraw/zinc/75/67/29/827756729.db2.gz BSGPKLYPWATSLN-OWOJBTEDSA-N -1 0 321.272 -0.390 20 0 DBADRM CCN1CC(CCO)(NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001276101412 833245022 /nfs/dbraw/zinc/24/50/22/833245022.db2.gz UDULMDLMSDCEKX-UHFFFAOYSA-N -1 0 317.345 -0.243 20 0 DBADRM C[C@@]1(CNC(=O)C(F)F)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107671812 827765720 /nfs/dbraw/zinc/76/57/20/827765720.db2.gz TXEHMNTXTAFFMC-LLVKDONJSA-N -1 0 305.285 -0.518 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107779673 827792779 /nfs/dbraw/zinc/79/27/79/827792779.db2.gz QEXYPQLVMVEBNE-TVQRCGJNSA-N -1 0 313.358 -0.748 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@]2(C)CN(C[C@@H](C)O)CCO2)c1[O-] ZINC001107872006 827818922 /nfs/dbraw/zinc/81/89/22/827818922.db2.gz MKVVMFIDXWLAHR-OTYXRUKQSA-N -1 0 312.370 -0.375 20 0 DBADRM Cc1nsc(NC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001108466273 827980197 /nfs/dbraw/zinc/98/01/97/827980197.db2.gz VCALYRIAIATBPM-YFKPBYRVSA-N -1 0 313.343 -0.534 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCNC(=O)[C@H]2C)nc1 ZINC001166562520 833274990 /nfs/dbraw/zinc/27/49/90/833274990.db2.gz YCQVDZKCZISYQE-MRVPVSSYSA-N -1 0 312.351 -0.769 20 0 DBADRM Cc1ccc(NC[C@H](C)NC(=O)c2cnc([O-])n(C)c2=O)nn1 ZINC001108634077 828032459 /nfs/dbraw/zinc/03/24/59/828032459.db2.gz INSJAYZYHHUJRG-VIFPVBQESA-N -1 0 318.337 -0.185 20 0 DBADRM C[C@@H](CN(C)c1nccnc1F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001109309812 828109522 /nfs/dbraw/zinc/10/95/22/828109522.db2.gz QSWYKYNNQKCVGR-LURJTMIESA-N -1 0 323.288 -0.533 20 0 DBADRM Cc1ccc(NCCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001109495083 828119319 /nfs/dbraw/zinc/11/93/19/828119319.db2.gz FTLIIDSUULDWIG-UHFFFAOYSA-N -1 0 321.341 -0.252 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)nc1 ZINC001167405812 833297637 /nfs/dbraw/zinc/29/76/37/833297637.db2.gz WRFDVJPRNFLALW-SSDOTTSWSA-N -1 0 306.278 -0.205 20 0 DBADRM Cc1cc(NC2(CNC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)ncn1 ZINC001110406672 828176626 /nfs/dbraw/zinc/17/66/26/828176626.db2.gz YZUZGWADLBYBSJ-UHFFFAOYSA-N -1 0 317.309 -0.244 20 0 DBADRM O=C(NCC1(Nc2ncc(F)cn2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001110406474 828176947 /nfs/dbraw/zinc/17/69/47/828176947.db2.gz OTXONDROTMHJGW-UHFFFAOYSA-N -1 0 321.272 -0.414 20 0 DBADRM NC(=O)c1nc(N[C@@H]2CO[N-]C2=O)ccc1Br ZINC001167519150 833302383 /nfs/dbraw/zinc/30/23/83/833302383.db2.gz GKOGFYGRORPDKS-RXMQYKEDSA-N -1 0 301.100 -0.215 20 0 DBADRM C[C@H]1[C@H](Nc2ccc3c(n2)NC(=O)C3)C(=O)N1S(=O)(=O)[O-] ZINC001167861106 833312031 /nfs/dbraw/zinc/31/20/31/833312031.db2.gz CUPMBPMUAYPQGK-CDUCUWFYSA-N -1 0 312.307 -0.610 20 0 DBADRM C[C@H]1[C@H](Nc2ccccc2-c2nn[nH]n2)C(=O)N1S(=O)(=O)[O-] ZINC001167861617 833312067 /nfs/dbraw/zinc/31/20/67/833312067.db2.gz URCKJWOUJSLCKM-RCOVLWMOSA-N -1 0 324.322 -0.319 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001111734478 828311911 /nfs/dbraw/zinc/31/19/11/828311911.db2.gz BTMQHBMNTJRSOW-NVBFEUDRSA-N -1 0 323.397 -0.002 20 0 DBADRM C[C@]1(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)CCNC1=O ZINC001168695133 833326639 /nfs/dbraw/zinc/32/66/39/833326639.db2.gz QIKBHPHACHOVIR-YGRLFVJLSA-N -1 0 300.322 -0.069 20 0 DBADRM C[C@]1(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)CCNC1=O ZINC001168695125 833326799 /nfs/dbraw/zinc/32/67/99/833326799.db2.gz QIKBHPHACHOVIR-HZMBPMFUSA-N -1 0 300.322 -0.069 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)no1 ZINC001116028763 828872561 /nfs/dbraw/zinc/87/25/61/828872561.db2.gz PZCBKEGMPRURSA-SSDOTTSWSA-N -1 0 307.270 -0.965 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001116041386 828873914 /nfs/dbraw/zinc/87/39/14/828873914.db2.gz JOQUMBLMSNPKMB-SECBINFHSA-N -1 0 307.372 -0.740 20 0 DBADRM CCOCc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1 ZINC001116154676 828879185 /nfs/dbraw/zinc/87/91/85/828879185.db2.gz UCZWVDALCWCMBR-UHFFFAOYSA-N -1 0 304.310 -0.009 20 0 DBADRM Cn1ncc2cc(C(=O)N3CCO[C@H](c4nnn[n-]4)C3)cnc21 ZINC001116185952 828880056 /nfs/dbraw/zinc/88/00/56/828880056.db2.gz FPFUQEFWZFPFOT-JTQLQIEISA-N -1 0 314.309 -0.305 20 0 DBADRM Cc1noc(CCCOC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001116287309 828886872 /nfs/dbraw/zinc/88/68/72/828886872.db2.gz DDAXXTCHRZCGFF-UHFFFAOYSA-N -1 0 318.293 -0.061 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001116447043 828895534 /nfs/dbraw/zinc/89/55/34/828895534.db2.gz SIULRGRVYCJOPJ-RFZPGFLSSA-N -1 0 308.216 -0.564 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001116447042 828895634 /nfs/dbraw/zinc/89/56/34/828895634.db2.gz SIULRGRVYCJOPJ-CRCLSJGQSA-N -1 0 308.216 -0.564 20 0 DBADRM Cc1oc(-c2cnn(C)c2)nc1C(=O)NCc1nc(=O)o[n-]1 ZINC001116447129 828895651 /nfs/dbraw/zinc/89/56/51/828895651.db2.gz WEPGNPBRUUFHTP-UHFFFAOYSA-N -1 0 304.266 -0.010 20 0 DBADRM CSc1ccncc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001116509719 828899579 /nfs/dbraw/zinc/89/95/79/828899579.db2.gz ZSWKJEZLBWVUOW-UHFFFAOYSA-N -1 0 308.323 -0.118 20 0 DBADRM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2[nH]c1=O ZINC001116573029 828902236 /nfs/dbraw/zinc/90/22/36/828902236.db2.gz BSKYCSFXDZQUQM-UHFFFAOYSA-N -1 0 319.302 -0.193 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC001116684629 828907410 /nfs/dbraw/zinc/90/74/10/828907410.db2.gz IAPSJOYNCLAQIF-IUCAKERBSA-N -1 0 311.381 -0.630 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC001116718227 828909281 /nfs/dbraw/zinc/90/92/81/828909281.db2.gz YTCQCHXFMDJSHB-UHFFFAOYSA-N -1 0 320.305 -0.255 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC001116716883 828909364 /nfs/dbraw/zinc/90/93/64/828909364.db2.gz CCERRTPQRWSLDT-UHFFFAOYSA-N -1 0 317.305 -0.597 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC001116735422 828910642 /nfs/dbraw/zinc/91/06/42/828910642.db2.gz YDCRPACBTVCCOJ-UHFFFAOYSA-N -1 0 301.324 -0.433 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC001116734887 828910802 /nfs/dbraw/zinc/91/08/02/828910802.db2.gz CTUPMYUKZLWSPZ-UHFFFAOYSA-N -1 0 305.290 -0.048 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccnc1Br ZINC001116735174 828910862 /nfs/dbraw/zinc/91/08/62/828910862.db2.gz NZTSGZAONLHFOC-UHFFFAOYSA-N -1 0 317.099 -0.684 20 0 DBADRM CO[C@@H]1CCOc2c(NC(=O)C(=O)[N-]OCC(N)=O)cccc21 ZINC001116867709 828917595 /nfs/dbraw/zinc/91/75/95/828917595.db2.gz YIQRSWFOQZCMMN-SNVBAGLBSA-N -1 0 323.305 -0.372 20 0 DBADRM Cn1nncc1C(=O)[N-]N1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC001116916548 828919592 /nfs/dbraw/zinc/91/95/92/828919592.db2.gz SKWCQADYQXSNDR-CQSZACIVSA-N -1 0 314.305 -0.073 20 0 DBADRM Cn1nnc2c1nccc2C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC001116947771 828921739 /nfs/dbraw/zinc/92/17/39/828921739.db2.gz QSILLACOULMZDD-UHFFFAOYSA-N -1 0 322.306 -0.389 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](Nc2cccc(S(=O)(=O)[O-])n2)CN1 ZINC001169129475 833335156 /nfs/dbraw/zinc/33/51/56/833335156.db2.gz PFHKQOXHCWSPDA-SFYZADRCSA-N -1 0 301.324 -0.356 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccoc1CC(N)=O ZINC001117111928 828944246 /nfs/dbraw/zinc/94/42/46/828944246.db2.gz AOKMVPFAFJPLQW-UHFFFAOYSA-N -1 0 304.324 -0.597 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCOC[C@H]1CCCO1 ZINC001117159835 828948956 /nfs/dbraw/zinc/94/89/56/828948956.db2.gz RRZNYXQYUARNNO-VXGBXAGGSA-N -1 0 316.354 -0.618 20 0 DBADRM CN1CCOC[C@H]1CNc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001169658505 833343979 /nfs/dbraw/zinc/34/39/79/833343979.db2.gz XXISUOYFKTULAR-SNVBAGLBSA-N -1 0 311.363 -0.139 20 0 DBADRM O=C(CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1)N1CCCCC1 ZINC001117292180 828956494 /nfs/dbraw/zinc/95/64/94/828956494.db2.gz LQUCIXZVOWDJGM-LLVKDONJSA-N -1 0 313.354 -0.801 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@H](OC)C(F)(F)F ZINC001117333899 828963232 /nfs/dbraw/zinc/96/32/32/828963232.db2.gz CNXYNCGPIJQSOZ-ZETCQYMHSA-N -1 0 302.249 -0.236 20 0 DBADRM CCN(CC)C(=O)C[C@@H](C)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001169437505 833340286 /nfs/dbraw/zinc/34/02/86/833340286.db2.gz ONFVWMHEZZZOAU-YWVKMMECSA-N -1 0 321.399 -0.375 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](C)Oc1ccccc1 ZINC001118283160 829062492 /nfs/dbraw/zinc/06/24/92/829062492.db2.gz TZHZEODGMVACLR-LLVKDONJSA-N -1 0 323.349 -0.246 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)[C@](C)(OC)C1CC1 ZINC001118297112 829064860 /nfs/dbraw/zinc/06/48/60/829064860.db2.gz KFUBNKWDZVNSEF-XPTSAGLGSA-N -1 0 315.370 -0.510 20 0 DBADRM CCOC[C@H](NC(=O)C(=O)NCC(=O)[N-]OCC)C(C)C ZINC001118301377 829065471 /nfs/dbraw/zinc/06/54/71/829065471.db2.gz OPDVXSTUWOCPJV-JTQLQIEISA-N -1 0 303.359 -0.652 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)Cc1ccc(O)cc1 ZINC001118348577 829073243 /nfs/dbraw/zinc/07/32/43/829073243.db2.gz NWQMIGZKTJGLBP-JTQLQIEISA-N -1 0 323.349 -0.377 20 0 DBADRM NS(=O)(=O)CCCCS(=O)(=O)[N-]c1cnsn1 ZINC001118348981 829073703 /nfs/dbraw/zinc/07/37/03/829073703.db2.gz LKHJVJRRPSNMOU-UHFFFAOYSA-N -1 0 300.387 -0.652 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(COC)cc1 ZINC001118350041 829073883 /nfs/dbraw/zinc/07/38/83/829073883.db2.gz HFDNLVWNAKPEHS-UHFFFAOYSA-N -1 0 323.349 -0.367 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H]1c1ccncc1 ZINC001118365639 829076484 /nfs/dbraw/zinc/07/64/84/829076484.db2.gz YVBNJGMNSZOTEM-LBPRGKRZSA-N -1 0 320.349 -0.071 20 0 DBADRM CCN1C[C@@H](CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)CC1=O ZINC001118365249 829076616 /nfs/dbraw/zinc/07/66/16/829076616.db2.gz WMGOXIFRBPLKST-GHMZBOCLSA-N -1 0 313.354 -0.945 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC001118425044 829082043 /nfs/dbraw/zinc/08/20/43/829082043.db2.gz XCAGDCMMIFZTNF-UHFFFAOYSA-N -1 0 313.310 -0.525 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC001118512541 829097364 /nfs/dbraw/zinc/09/73/64/829097364.db2.gz MSJOYLMAQXIKEB-JTQLQIEISA-N -1 0 319.273 -0.858 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)NCCc1n[n-]c(=S)o1 ZINC001118694274 829122426 /nfs/dbraw/zinc/12/24/26/829122426.db2.gz RYABAGLMMPSMSV-LURJTMIESA-N -1 0 308.385 -0.655 20 0 DBADRM COCCO[C@H]1C[C@H](CO)CN(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC001118757065 829129837 /nfs/dbraw/zinc/12/98/37/829129837.db2.gz DQFOAQZKTKEVCD-QWRGUYRKSA-N -1 0 313.354 -0.388 20 0 DBADRM CN(C)c1noc(CNC(=O)c2c[n-]n3c2nccc3=O)n1 ZINC001118770290 829132841 /nfs/dbraw/zinc/13/28/41/829132841.db2.gz NCPZEZSDFNBBLJ-UHFFFAOYSA-N -1 0 303.282 -0.598 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)[N-]OCC(C)(C)O ZINC001118860176 829141241 /nfs/dbraw/zinc/14/12/41/829141241.db2.gz QFVRYDYCUWDAAC-UHFFFAOYSA-N -1 0 302.283 -0.204 20 0 DBADRM COCCNC(=O)CNC(=O)CC1(C(=O)[O-])CCOCC1 ZINC001118916041 829152106 /nfs/dbraw/zinc/15/21/06/829152106.db2.gz YAODOUZUVJDALG-UHFFFAOYSA-N -1 0 302.327 -0.863 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2nccn2C)CC[C@H]1C(=O)[O-] ZINC001118921120 829154020 /nfs/dbraw/zinc/15/40/20/829154020.db2.gz KLAHDIPVUNFHSY-VHSXEESVSA-N -1 0 308.338 -0.395 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001118921320 829154174 /nfs/dbraw/zinc/15/41/74/829154174.db2.gz PUAMZNFYSBVNII-ONGXEEELSA-N -1 0 323.353 -0.517 20 0 DBADRM Cn1c(C=O)ccc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001119057377 829211161 /nfs/dbraw/zinc/21/11/61/829211161.db2.gz IYEHWNBKAOSWRL-JTQLQIEISA-N -1 0 314.319 -0.839 20 0 DBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cccc(F)c1 ZINC001173832845 833379864 /nfs/dbraw/zinc/37/98/64/833379864.db2.gz DCYFEDCLNKGNEJ-UHFFFAOYSA-N -1 0 315.286 -0.163 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001119193766 829233899 /nfs/dbraw/zinc/23/38/99/829233899.db2.gz IDPSOAJHKUPMEZ-IYKVGLELSA-N -1 0 300.355 -0.001 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@H]1c2ccccc2C(=O)N1C ZINC001119257414 829241561 /nfs/dbraw/zinc/24/15/61/829241561.db2.gz PJFJPRDIBNWBFX-LBPRGKRZSA-N -1 0 321.333 -0.376 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCc1cn(C)c2ncccc12 ZINC001119276280 829245592 /nfs/dbraw/zinc/24/55/92/829245592.db2.gz ZZMTZVCQYICBET-UHFFFAOYSA-N -1 0 320.349 -0.074 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2ncccn2)CC[C@H]1C(=O)[O-] ZINC001119295838 829247324 /nfs/dbraw/zinc/24/73/24/829247324.db2.gz YMRXIFWHWZBRCX-NXEZZACHSA-N -1 0 306.322 -0.338 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N(C[C@H]1CCOC1)C1CC1 ZINC001119341272 829249393 /nfs/dbraw/zinc/24/93/93/829249393.db2.gz NKHKUWXAORGKAP-GMTAPVOTSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1nnnn1C1CC1)C(=O)[O-] ZINC001119350752 829251529 /nfs/dbraw/zinc/25/15/29/829251529.db2.gz IJTIKVLCFHJRBC-BQBZGAKWSA-N -1 0 310.314 -0.978 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1c2ccccc2CC[C@H]1F ZINC001119820757 829308780 /nfs/dbraw/zinc/30/87/80/829308780.db2.gz XCIRNJGANAKYQN-DGCLKSJQSA-N -1 0 323.324 -0.078 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCCN(CC)C1=O ZINC001119838001 829310644 /nfs/dbraw/zinc/31/06/44/829310644.db2.gz RYUZIIDAUKOGRO-JTQLQIEISA-N -1 0 301.343 -0.802 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC(Cc2ccc(C)cc2)C1 ZINC001119848126 829312702 /nfs/dbraw/zinc/31/27/02/829312702.db2.gz GXNDTKWVSOZUII-UHFFFAOYSA-N -1 0 319.361 -0.210 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCOC[C@@H]1CC(C)C ZINC001119848300 829313081 /nfs/dbraw/zinc/31/30/81/829313081.db2.gz LKHAVLQKPHGYTG-JTQLQIEISA-N -1 0 301.343 -0.946 20 0 DBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cncs1 ZINC001175495246 833391086 /nfs/dbraw/zinc/39/10/86/833391086.db2.gz KXBZQRPXBJJWCL-UHFFFAOYSA-N -1 0 304.313 -0.846 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1nc(CN(C)C)cs1 ZINC001119909957 829321861 /nfs/dbraw/zinc/32/18/61/829321861.db2.gz XEMLHXZNHZDCDU-UHFFFAOYSA-N -1 0 316.383 -0.485 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCS[C@H](C(C)C)C1 ZINC001119925149 829324263 /nfs/dbraw/zinc/32/42/63/829324263.db2.gz IDMAMZRCHHZZOQ-VIFPVBQESA-N -1 0 303.384 -0.620 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCOc2ccccc2C1 ZINC001120187605 829340845 /nfs/dbraw/zinc/34/08/45/829340845.db2.gz BMMGFZFXDXNYIC-UHFFFAOYSA-N -1 0 304.310 -0.250 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1C[C@@H](C)OC2(CCCC2)C1 ZINC001120284008 829347510 /nfs/dbraw/zinc/34/75/10/829347510.db2.gz CUWZCDHTWHKEDE-SNVBAGLBSA-N -1 0 310.358 -0.111 20 0 DBADRM COC(=O)c1cn(-c2cnn(CC(=O)[O-])c2)c(C(=O)OC)c1N ZINC001176264907 833402720 /nfs/dbraw/zinc/40/27/20/833402720.db2.gz MSBRHGRBLYQYHK-UHFFFAOYSA-N -1 0 322.277 -0.086 20 0 DBADRM Cc1cc(N[C@H](C)CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001120929311 829411935 /nfs/dbraw/zinc/41/19/35/829411935.db2.gz WOJKQTSQHQOVTP-MRVPVSSYSA-N -1 0 319.325 -0.046 20 0 DBADRM CCOCCO[C@H]1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2C)C1 ZINC001121351138 829467002 /nfs/dbraw/zinc/46/70/02/829467002.db2.gz PCGRXSBQDWBLCJ-JTQLQIEISA-N -1 0 322.369 -0.329 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)Nc2ncc(F)cn2)c1[O-] ZINC001121453255 829482951 /nfs/dbraw/zinc/48/29/51/829482951.db2.gz AHAWARYQIBGPBG-MRVPVSSYSA-N -1 0 310.289 -0.444 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)Nc2ccc(C)nn2)c1[O-] ZINC001121453636 829484064 /nfs/dbraw/zinc/48/40/64/829484064.db2.gz DIGXRNOMDYZITL-VIFPVBQESA-N -1 0 306.326 -0.275 20 0 DBADRM CO[C@H]1C[C@@H](N(C)C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001121919320 829528492 /nfs/dbraw/zinc/52/84/92/829528492.db2.gz CBAHGIDCEGLEEQ-PHIMTYICSA-N -1 0 304.343 -0.077 20 0 DBADRM O=C(Cc1nnn[n-]1)Nc1n[nH]c(CC(=O)c2ccccc2)n1 ZINC001176839906 833421463 /nfs/dbraw/zinc/42/14/63/833421463.db2.gz HPIAKNZMVOSUOM-UHFFFAOYSA-N -1 0 312.293 -0.076 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCC2(CC1)OC(=O)c1ncccc12 ZINC001176839825 833421769 /nfs/dbraw/zinc/42/17/69/833421769.db2.gz DJOSSALGBPYVTQ-UHFFFAOYSA-N -1 0 314.305 -0.175 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCN(CCc2ccncc2)CC1 ZINC001176841247 833423007 /nfs/dbraw/zinc/42/30/07/833423007.db2.gz VBZQNQKYAJWLDS-UHFFFAOYSA-N -1 0 301.354 -0.476 20 0 DBADRM Cc1cc(O[C@H]2CCCN(C(=O)Cc3nnn[n-]3)C2)ncn1 ZINC001176842303 833423190 /nfs/dbraw/zinc/42/31/90/833423190.db2.gz GLGXREMPHSRTKH-JTQLQIEISA-N -1 0 303.326 -0.089 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC2CC1(C(=O)NCc1ccco1)C2 ZINC001176840419 833423577 /nfs/dbraw/zinc/42/35/77/833423577.db2.gz JWGXWWLBYJXVID-UHFFFAOYSA-N -1 0 316.321 -0.357 20 0 DBADRM CC(C)(C)OC(=O)N1CCC(NC(=O)Cc2nnn[n-]2)=CC1=O ZINC001176847437 833424449 /nfs/dbraw/zinc/42/44/49/833424449.db2.gz WWAPNXZJHSKOSN-UHFFFAOYSA-N -1 0 322.325 -0.090 20 0 DBADRM Cn1cc(Br)c(CNC(=O)Cc2nnn[n-]2)n1 ZINC001176844572 833425105 /nfs/dbraw/zinc/42/51/05/833425105.db2.gz CHBLGACODKCFTJ-UHFFFAOYSA-N -1 0 300.120 -0.445 20 0 DBADRM O=C(Cc1nnn[n-]1)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1 ZINC001176847429 833425234 /nfs/dbraw/zinc/42/52/34/833425234.db2.gz WLCABALHHSVOON-DCAQKATOSA-N -1 0 322.369 -0.535 20 0 DBADRM O=C(CCCNC(=O)c1cccnc1)NCS(=O)(=O)[O-] ZINC001176892449 833431673 /nfs/dbraw/zinc/43/16/73/833431673.db2.gz JJJPCPCPUZJLKD-UHFFFAOYSA-N -1 0 301.324 -0.447 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNc2cc(F)ncn2)c1[O-] ZINC001124309738 829737093 /nfs/dbraw/zinc/73/70/93/829737093.db2.gz KFTFCJKWBIWDIT-QMMMGPOBSA-N -1 0 324.316 -0.102 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNc2cc(F)ncn2)c1[O-] ZINC001124309737 829737122 /nfs/dbraw/zinc/73/71/22/829737122.db2.gz KFTFCJKWBIWDIT-MRVPVSSYSA-N -1 0 324.316 -0.102 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNc2nccnc2F)c1[O-] ZINC001124309065 829737491 /nfs/dbraw/zinc/73/74/91/829737491.db2.gz APWWASMTNXQQGW-MRVPVSSYSA-N -1 0 324.316 -0.102 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNCc2nnn(C(C)(C)C)n2)c1[O-] ZINC001125733873 829875564 /nfs/dbraw/zinc/87/55/64/829875564.db2.gz DLMIPRQZVDCDPT-UHFFFAOYSA-N -1 0 322.373 -0.315 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNCc2nnnn2C(C)C)c1[O-] ZINC001125729172 829876080 /nfs/dbraw/zinc/87/60/80/829876080.db2.gz UEURDFWQAGXPRQ-UHFFFAOYSA-N -1 0 308.346 -0.489 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O ZINC001179623663 833553544 /nfs/dbraw/zinc/55/35/44/833553544.db2.gz RNUTXNGUKLTXNS-HNNXBMFYSA-N -1 0 321.333 -0.813 20 0 DBADRM Cn1ccnc1CNCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001130556562 830341581 /nfs/dbraw/zinc/34/15/81/830341581.db2.gz NMAAABMKZNPFEC-UHFFFAOYSA-N -1 0 323.357 -0.891 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCNCc1nccs1 ZINC001130754182 830376688 /nfs/dbraw/zinc/37/66/88/830376688.db2.gz RSTTWRCNWRZMND-UHFFFAOYSA-N -1 0 324.366 -0.422 20 0 DBADRM Cc1noc([C@H](C)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001130864954 830401435 /nfs/dbraw/zinc/40/14/35/830401435.db2.gz NCDWZXHXQWUQSD-YFKPBYRVSA-N -1 0 309.286 -0.945 20 0 DBADRM CCc1cnc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001130863138 830401781 /nfs/dbraw/zinc/40/17/81/830401781.db2.gz LVRLGXYGRPEIDT-UHFFFAOYSA-N -1 0 308.298 -0.647 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCCNCc2cnon2)cc1=O ZINC001130925567 830409421 /nfs/dbraw/zinc/40/94/21/830409421.db2.gz DYGCWPNXTBTSLW-UHFFFAOYSA-N -1 0 322.369 -0.336 20 0 DBADRM CC1CCC2(CC1)NC(=O)N(CC(=O)N(C)c1nnn[n-]1)C2=O ZINC001130969851 830413837 /nfs/dbraw/zinc/41/38/37/830413837.db2.gz WYNVIAPKHMMCQC-UHFFFAOYSA-N -1 0 321.341 -0.337 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001131765451 830521199 /nfs/dbraw/zinc/52/11/99/830521199.db2.gz YVYZJTWOJFBUIH-WPRPVWTQSA-N -1 0 310.358 -0.885 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001131765450 830522286 /nfs/dbraw/zinc/52/22/86/830522286.db2.gz YVYZJTWOJFBUIH-WCBMZHEXSA-N -1 0 310.358 -0.885 20 0 DBADRM CCC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001131912536 830559636 /nfs/dbraw/zinc/55/96/36/830559636.db2.gz ZLFOBPAUQDQQLP-ZJUUUORDSA-N -1 0 324.385 -0.494 20 0 DBADRM CNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001132006295 830574903 /nfs/dbraw/zinc/57/49/03/830574903.db2.gz IPIJSBFNVKBVCN-RKDXNWHRSA-N -1 0 310.358 -0.885 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)C2(C(N)=O)CC2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001132261587 830617241 /nfs/dbraw/zinc/61/72/41/830617241.db2.gz NKMYKTZBOFZRRL-BDAKNGLRSA-N -1 0 322.369 -0.755 20 0 DBADRM CC(C)[C@H](C)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001181470894 833632970 /nfs/dbraw/zinc/63/29/70/833632970.db2.gz GMIJVTSLEGTFRN-YFKPBYRVSA-N -1 0 319.343 -0.359 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCS(=O)(=O)[O-] ZINC001181602435 833637399 /nfs/dbraw/zinc/63/73/99/833637399.db2.gz UWPYYZDCVDUNNY-GFCCVEGCSA-N -1 0 312.347 -0.079 20 0 DBADRM CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)NCc1nnn[n-]1 ZINC001181863456 833646768 /nfs/dbraw/zinc/64/67/68/833646768.db2.gz VBCFHPQLFVCXJP-SSDOTTSWSA-N -1 0 310.314 -0.258 20 0 DBADRM CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)NCc1nnn[n-]1 ZINC001181863457 833646794 /nfs/dbraw/zinc/64/67/94/833646794.db2.gz VBCFHPQLFVCXJP-ZETCQYMHSA-N -1 0 310.314 -0.258 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2n[nH]c(=O)[n-]2)c1[O-] ZINC001134089582 830886251 /nfs/dbraw/zinc/88/62/51/830886251.db2.gz GJXJUGDOAFDSRY-RNFRBKRXSA-N -1 0 323.357 -0.066 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2n[nH]c(=O)[n-]2)c1[O-] ZINC001134089583 830886343 /nfs/dbraw/zinc/88/63/43/830886343.db2.gz GJXJUGDOAFDSRY-RQJHMYQMSA-N -1 0 323.357 -0.066 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2n[nH]c(=O)[n-]2)c1[O-] ZINC001134089581 830886355 /nfs/dbraw/zinc/88/63/55/830886355.db2.gz GJXJUGDOAFDSRY-NKWVEPMBSA-N -1 0 323.357 -0.066 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C[C@H](C)NCc2nnn(C)n2)c1[O-] ZINC001134100314 830889357 /nfs/dbraw/zinc/88/93/57/830889357.db2.gz OOIISUFPNCVGSO-JGVFFNPUSA-N -1 0 322.373 -0.366 20 0 DBADRM O=C(NCCNCc1csnn1)c1c[n-]n2c1nccc2=O ZINC001134939071 830992641 /nfs/dbraw/zinc/99/26/41/830992641.db2.gz OSWLHRWZAHNIJH-UHFFFAOYSA-N -1 0 319.350 -0.606 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCc1nc2ccccc2[nH]1 ZINC001135936274 831139115 /nfs/dbraw/zinc/13/91/15/831139115.db2.gz ZOSZFYHDGOKBLY-UHFFFAOYSA-N -1 0 302.294 -0.076 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCOC[C@@H]1CCCO1 ZINC001136835224 831166721 /nfs/dbraw/zinc/16/67/21/831166721.db2.gz PAZHSEVNVOTXLO-QMMMGPOBSA-N -1 0 302.356 -0.086 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@H]2CCNC(=O)C2)ccc1[O-] ZINC001137940806 831172738 /nfs/dbraw/zinc/17/27/38/831172738.db2.gz MPSZPFBGNBQJGN-ZETCQYMHSA-N -1 0 313.335 -0.496 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)NCCc1n[n-]c(=S)o1 ZINC001138518503 831176531 /nfs/dbraw/zinc/17/65/31/831176531.db2.gz BGHSJSZXHPOOLE-QMMMGPOBSA-N -1 0 322.412 -0.409 20 0 DBADRM CNC(=O)CCCCC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001138987088 831177984 /nfs/dbraw/zinc/17/79/84/831177984.db2.gz MUSXENKEXHBHIL-UHFFFAOYSA-N -1 0 310.358 -0.684 20 0 DBADRM COc1ccn2c(c1)ncc2C(=O)NCCc1nc(=O)o[n-]1 ZINC001139476621 831180035 /nfs/dbraw/zinc/18/00/35/831180035.db2.gz HZXZXDCCNVBHIE-UHFFFAOYSA-N -1 0 303.278 -0.008 20 0 DBADRM O=C(Cn1ncc2ccccc2c1=O)NCCc1nc(=O)o[n-]1 ZINC001139471774 831180630 /nfs/dbraw/zinc/18/06/30/831180630.db2.gz RGAIOZJOWDVLCD-UHFFFAOYSA-N -1 0 315.289 -0.568 20 0 DBADRM C[C@]1(C[C@H]2CCCN2C(=O)c2c[n-]ncc2=O)NC(=O)NC1=O ZINC001140504707 831186998 /nfs/dbraw/zinc/18/69/98/831186998.db2.gz BGVMEJZSBQPXEW-XLKFXECMSA-N -1 0 319.321 -0.225 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCOc1cncc(Cl)c1 ZINC001140553378 831187011 /nfs/dbraw/zinc/18/70/11/831187011.db2.gz WVZRQDNXWRHZAX-UHFFFAOYSA-N -1 0 313.701 -0.067 20 0 DBADRM Cc1[nH]c(CN2CC(N3CCNC(=O)C3)C2)c(C)c1C(=O)[O-] ZINC001140497329 831187212 /nfs/dbraw/zinc/18/72/12/831187212.db2.gz MDNMCNSIVIHXJY-UHFFFAOYSA-N -1 0 306.366 -0.054 20 0 DBADRM CC(=O)N1CC(=O)NC[C@@]12CCN(Cc1ccc(C(=O)[O-])o1)C2 ZINC001140945893 831189014 /nfs/dbraw/zinc/18/90/14/831189014.db2.gz LGJDMOXUTCFUQG-OAHLLOKOSA-N -1 0 321.333 -0.099 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@H]1CC(=O)N(Cc2cccs2)C1 ZINC001142360632 831211777 /nfs/dbraw/zinc/21/17/77/831211777.db2.gz DYXVUXRHLXZVJA-MRVPVSSYSA-N -1 0 306.351 -0.074 20 0 DBADRM COc1ncc(/C=C/C(=O)NCS(=O)(=O)[O-])c(OC)n1 ZINC001142453788 831212642 /nfs/dbraw/zinc/21/26/42/831212642.db2.gz MBVCVPTWUDPBED-ONEGZZNKSA-N -1 0 303.296 -0.532 20 0 DBADRM Cn1cc(C[C@@H](CO)NC(=O)c2ccc3oc(=O)nc-3[n-]2)cn1 ZINC001142582147 831215074 /nfs/dbraw/zinc/21/50/74/831215074.db2.gz ZZNKKHNSLKOTTB-VIFPVBQESA-N -1 0 317.305 -0.005 20 0 DBADRM CC(=O)CCC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001142753733 831218225 /nfs/dbraw/zinc/21/82/25/831218225.db2.gz RQCGIHQMJCVCJM-NSHDSACASA-N -1 0 324.337 -0.603 20 0 DBADRM COC1(OC)CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001142920745 831222261 /nfs/dbraw/zinc/22/22/61/831222261.db2.gz FVCOHILOMLEVGK-SSDOTTSWSA-N -1 0 318.355 -0.815 20 0 DBADRM O=C(CCS(=O)(=O)c1ccccc1)NCS(=O)(=O)[O-] ZINC001142974962 831224787 /nfs/dbraw/zinc/22/47/87/831224787.db2.gz AHQWQRLDJIIULG-UHFFFAOYSA-N -1 0 307.349 -0.188 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)[C@@H]2C[C@@H](O)CN2C(C)=O)[n-]1 ZINC001143026457 831225847 /nfs/dbraw/zinc/22/58/47/831225847.db2.gz AUCVACLVWSCCTD-SCZZXKLOSA-N -1 0 310.310 -0.493 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)[C@@H]1CCC(=O)N1 ZINC001143124504 831229093 /nfs/dbraw/zinc/22/90/93/831229093.db2.gz RRFSFVYWJRILRS-QMMMGPOBSA-N -1 0 309.303 -0.664 20 0 DBADRM COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)C(=O)[O-] ZINC001143418521 831236675 /nfs/dbraw/zinc/23/66/75/831236675.db2.gz BXGDYSLWXRNNFN-YGRLFVJLSA-N -1 0 314.338 -0.674 20 0 DBADRM O=C([O-])C(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001143420811 831237123 /nfs/dbraw/zinc/23/71/23/831237123.db2.gz YDNRHFZMSNWQIR-BBBLOLIVSA-N -1 0 320.305 -0.779 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H]1CCCS1(=O)=O ZINC001143481055 831238992 /nfs/dbraw/zinc/23/89/92/831238992.db2.gz PJYISNJDOSSRCH-JGVFFNPUSA-N -1 0 307.324 -0.914 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 ZINC001143675593 831241429 /nfs/dbraw/zinc/24/14/29/831241429.db2.gz JAHMESSLYLNYSL-AAEUAGOBSA-N -1 0 302.338 -0.549 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@H]1[C@H](O)CCN1Cc1ccccc1 ZINC001143675596 831241940 /nfs/dbraw/zinc/24/19/40/831241940.db2.gz JAHMESSLYLNYSL-YPMHNXCESA-N -1 0 302.338 -0.549 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCCN=S1(=O)CCCC1 ZINC001144050785 831244805 /nfs/dbraw/zinc/24/48/05/831244805.db2.gz QTROSHKCDDNUNS-UHFFFAOYSA-N -1 0 300.388 -0.100 20 0 DBADRM CSCC[C@H](NC(C)=O)C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001144865122 831261957 /nfs/dbraw/zinc/26/19/57/831261957.db2.gz VLTWMJCHYZRVKW-IMTBSYHQSA-N -1 0 305.381 -0.331 20 0 DBADRM NC(=O)c1nc(C[N-]S(=O)(=O)c2cccnc2Cl)no1 ZINC001184897840 833774845 /nfs/dbraw/zinc/77/48/45/833774845.db2.gz JCQOFJQLAGQOFO-UHFFFAOYSA-N -1 0 317.714 -0.305 20 0 DBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]C(CO)CO)nc1C ZINC001184976508 833776538 /nfs/dbraw/zinc/77/65/38/833776538.db2.gz OTGPJCACVWQUGG-UHFFFAOYSA-N -1 0 324.380 -0.740 20 0 DBADRM CO[C@H](C)CC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001147173216 831344790 /nfs/dbraw/zinc/34/47/90/831344790.db2.gz JFAMUUYPMHCWRY-SNVBAGLBSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1nc(C)c(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)s1 ZINC001147242453 831351706 /nfs/dbraw/zinc/35/17/06/831351706.db2.gz WXDCVOSNAIFMDV-FSPLSTOPSA-N -1 0 319.364 -0.108 20 0 DBADRM Cc1n[nH]nc1C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001147573424 831383368 /nfs/dbraw/zinc/38/33/68/831383368.db2.gz ULBJVSPIBBPHMV-UHFFFAOYSA-N -1 0 307.291 -0.202 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cnc(Cl)nc2)C(=O)N1S(=O)(=O)[O-] ZINC001147728601 831402432 /nfs/dbraw/zinc/40/24/32/831402432.db2.gz JFQWOMXOWPEQNU-NJGYIYPDSA-N -1 0 320.714 -0.738 20 0 DBADRM O=C(CN1Cc2c(cnn2-c2ccccc2)C1=O)Nc1nn[nH]n1 ZINC001147757567 831405044 /nfs/dbraw/zinc/40/50/44/831405044.db2.gz KYHTZVYOYKTRFP-UHFFFAOYSA-N -1 0 324.304 -0.020 20 0 DBADRM Cn1ccc(C(=O)N2CC(NS(C)(=O)=O)C2)c1CC(=O)[O-] ZINC001177364497 833465018 /nfs/dbraw/zinc/46/50/18/833465018.db2.gz BFAICMIBPRYPAK-UHFFFAOYSA-N -1 0 315.351 -0.974 20 0 DBADRM Cn1ccc(C(=O)NCCCc2c[nH][nH]c2=O)c1CC(=O)[O-] ZINC001177371063 833465069 /nfs/dbraw/zinc/46/50/69/833465069.db2.gz VLWWTKUCJUYSID-VIFPVBQESA-N -1 0 306.322 -0.106 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c(O)c1 ZINC001148506139 831458972 /nfs/dbraw/zinc/45/89/72/831458972.db2.gz TXDCLOJNANCVAG-XVKPBYJWSA-N -1 0 314.319 -0.167 20 0 DBADRM Cn1ccc(C(=O)N2CC[C@H](O)[C@@](C)(CO)C2)c1CC(=O)[O-] ZINC001177364357 833465148 /nfs/dbraw/zinc/46/51/48/833465148.db2.gz NUJAEDXYBAHZQL-SWLSCSKDSA-N -1 0 310.350 -0.142 20 0 DBADRM COC(=O)[C@@H]1CN(C)CCN1C(=O)c1ccn(C)c1CC(=O)[O-] ZINC001177365643 833465152 /nfs/dbraw/zinc/46/51/52/833465152.db2.gz VSDFOCZYANANSB-LBPRGKRZSA-N -1 0 323.349 -0.419 20 0 DBADRM Nc1c(=O)c(=O)c1NC(=O)CSc1n[n-]c(=S)s1 ZINC001177336868 833463492 /nfs/dbraw/zinc/46/34/92/833463492.db2.gz AIOGNQBAZRGWNO-UHFFFAOYSA-N -1 0 302.362 -0.264 20 0 DBADRM CCc1cnc(CNCCNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001149142018 831500398 /nfs/dbraw/zinc/50/03/98/831500398.db2.gz YDXDNVUSCDQOTD-UHFFFAOYSA-N -1 0 310.314 -0.854 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC/C(Cl)=C\Cl ZINC001149160394 831501335 /nfs/dbraw/zinc/50/13/35/831501335.db2.gz ANZKTMNLKOVUIG-ZZXKWVIFSA-N -1 0 310.141 -0.286 20 0 DBADRM Cc1nc(CNCCNC(=O)Cn2c(=O)[n-][nH]c2=O)cs1 ZINC001149166653 831502504 /nfs/dbraw/zinc/50/25/04/831502504.db2.gz LXFCXWORNFFSMW-UHFFFAOYSA-N -1 0 312.355 -0.640 20 0 DBADRM O=C(NCc1nnn[n-]1)c1nc2c(=O)[nH]c3ccccc3n2n1 ZINC001149836547 831572378 /nfs/dbraw/zinc/57/23/78/831572378.db2.gz JBHNDAVSJOWPJI-UHFFFAOYSA-N -1 0 311.265 -0.986 20 0 DBADRM O=C(CCc1nnn[n-]1)NCCNC(=O)c1ccc(O)cc1 ZINC001150483891 831623093 /nfs/dbraw/zinc/62/30/93/831623093.db2.gz KFOKOCQJSGDSBK-UHFFFAOYSA-N -1 0 304.310 -0.616 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cnn2cccnc12 ZINC001150659471 831636535 /nfs/dbraw/zinc/63/65/35/831636535.db2.gz CQNLGSMWCDFWTD-VIFPVBQESA-N -1 0 306.278 -0.135 20 0 DBADRM Cn1cnc2c1nccc2C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001150803280 831646897 /nfs/dbraw/zinc/64/68/97/831646897.db2.gz KGSDBEDQLXPKJZ-VIFPVBQESA-N -1 0 314.309 -0.305 20 0 DBADRM O=C(Cc1cnn2ccccc12)N1CCOC[C@H]1c1nnn[n-]1 ZINC001150803300 831647171 /nfs/dbraw/zinc/64/71/71/831647171.db2.gz KUUDNTKBSGXMDP-LBPRGKRZSA-N -1 0 313.321 -0.010 20 0 DBADRM O=C(N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)[C@H]1CC(=O)N1 ZINC001151369949 831680934 /nfs/dbraw/zinc/68/09/34/831680934.db2.gz KXJXPKSUKIBJOD-VHSXEESVSA-N -1 0 301.306 -0.201 20 0 DBADRM CCC(=O)NCC(=O)NC[C@@H](C)N(CC)Cc1n[nH]c(=O)[n-]1 ZINC001152444485 831751703 /nfs/dbraw/zinc/75/17/03/831751703.db2.gz ZNMGARHOEXZCKA-SECBINFHSA-N -1 0 312.374 -0.637 20 0 DBADRM O=C(Nc1ncnc2[n-]nnc21)c1cnc2n(c1=O)CCS2 ZINC001152494929 831755550 /nfs/dbraw/zinc/75/55/50/831755550.db2.gz BNGHGLXAGWOICZ-UHFFFAOYSA-N -1 0 316.306 -0.337 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)c1cnc2n(c1=O)CCS2 ZINC001152502410 831756396 /nfs/dbraw/zinc/75/63/96/831756396.db2.gz ACJVHJKCALLBBO-ZETCQYMHSA-N -1 0 312.332 -0.612 20 0 DBADRM O=C([O-])c1sc(C(=O)NC[C@@H](O)CO)c2c1OCCO2 ZINC001152708411 831770125 /nfs/dbraw/zinc/77/01/25/831770125.db2.gz UQHITOLNAVGUCZ-RXMQYKEDSA-N -1 0 303.292 -0.700 20 0 DBADRM Cn1nnc2c(C(=O)[N-]c3noc4cccnc43)ncn2c1=O ZINC001152743794 831772001 /nfs/dbraw/zinc/77/20/01/831772001.db2.gz PIVQODMNIDCQEM-UHFFFAOYSA-N -1 0 312.249 -0.389 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2ccn3nccc3c2)C(=O)N1S(=O)(=O)[O-] ZINC001152844260 831777257 /nfs/dbraw/zinc/77/72/57/831777257.db2.gz WGIUUJOKKXPWFW-XVKPBYJWSA-N -1 0 324.318 -0.534 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)CN2CCCC2=O)ccc1[O-] ZINC001153032588 831787422 /nfs/dbraw/zinc/78/74/22/831787422.db2.gz JCFRKASSNCORJV-UHFFFAOYSA-N -1 0 313.335 -0.400 20 0 DBADRM Cn1cncc1CC(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1 ZINC001153033400 831787799 /nfs/dbraw/zinc/78/77/99/831787799.db2.gz UOPYQMHOIWPQIT-UHFFFAOYSA-N -1 0 310.335 -0.046 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@]2(O)CCOC2)ccc1[O-] ZINC001153032560 831787821 /nfs/dbraw/zinc/78/78/21/831787821.db2.gz HVYPLGUCHBTWJJ-NSHDSACASA-N -1 0 302.308 -0.871 20 0 DBADRM Cn1c(=O)cc(NC(=O)c2c[n-]c3cccnc3c2=O)[nH]c1=O ZINC001153862256 831841190 /nfs/dbraw/zinc/84/11/90/831841190.db2.gz RSSZXVPDHAWIJH-UHFFFAOYSA-N -1 0 313.273 -0.025 20 0 DBADRM COC(=O)c1cccc2n[nH]c(C(=O)N[C@@H]3CO[N-]C3=O)c21 ZINC001154609158 831891512 /nfs/dbraw/zinc/89/15/12/831891512.db2.gz RBWJAOHDPLTJOF-MRVPVSSYSA-N -1 0 304.262 -0.491 20 0 DBADRM COC[C@@H](NC(=O)c1cc(C)nc2c1cnn2C)c1nnn[n-]1 ZINC001155068968 831914576 /nfs/dbraw/zinc/91/45/76/831914576.db2.gz NQRLISPUEVUPDF-SNVBAGLBSA-N -1 0 316.325 -0.093 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@@H](COC)OC ZINC001155104457 831916336 /nfs/dbraw/zinc/91/63/36/831916336.db2.gz AHYFJWRKNBDDJF-NXEZZACHSA-N -1 0 315.374 -0.502 20 0 DBADRM O=C(c1ccnc2n[nH]nc21)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001155134064 831918882 /nfs/dbraw/zinc/91/88/82/831918882.db2.gz AIMFULIUSSBTFV-QMMMGPOBSA-N -1 0 313.325 -0.039 20 0 DBADRM Nc1nc(=O)c2sc(=O)[nH]c2n1-c1nccnc1CC(=O)[O-] ZINC001155448103 831933648 /nfs/dbraw/zinc/93/36/48/831933648.db2.gz HSQJONOUJWIKER-UHFFFAOYSA-N -1 0 320.290 -0.210 20 0 DBADRM O=C(c1cnn2ccccc12)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001155515750 831937034 /nfs/dbraw/zinc/93/70/34/831937034.db2.gz FPBPNFBCFSTHIB-UHFFFAOYSA-N -1 0 313.321 -0.029 20 0 DBADRM Cn1cc(C=CC(=O)N2CCC(O)(c3nnn[n-]3)CC2)cn1 ZINC001155515955 831937086 /nfs/dbraw/zinc/93/70/86/831937086.db2.gz JZCAIWJSIDJIKY-NSCUHMNNSA-N -1 0 303.326 -0.543 20 0 DBADRM CNS(=O)(=O)c1cccnc1N[C@H]1SC(=O)[N-]C1=O ZINC001155844121 831955363 /nfs/dbraw/zinc/95/53/63/831955363.db2.gz VVTHZQNJSOZAEW-QMMMGPOBSA-N -1 0 302.337 -0.289 20 0 DBADRM CNS(=O)(=O)c1cccnc1N[C@@H]1SC(=O)[N-]C1=O ZINC001155844120 831955378 /nfs/dbraw/zinc/95/53/78/831955378.db2.gz VVTHZQNJSOZAEW-MRVPVSSYSA-N -1 0 302.337 -0.289 20 0 DBADRM CNS(=O)(=O)c1ccc(N[C@H]2SC(=O)[N-]C2=O)nc1 ZINC001155845175 831955523 /nfs/dbraw/zinc/95/55/23/831955523.db2.gz ZEXVBTWUVAMKQZ-QMMMGPOBSA-N -1 0 302.337 -0.289 20 0 DBADRM NC(=O)[C@@H]1CCCN1c1cc(N[C@@H]2SC(=O)[N-]C2=O)ncn1 ZINC001155844567 831955584 /nfs/dbraw/zinc/95/55/84/831955584.db2.gz OTOOSDRSFVNHIM-UPONEAKYSA-N -1 0 322.350 -0.348 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1cn(CC)nn1 ZINC001156071481 831968155 /nfs/dbraw/zinc/96/81/55/831968155.db2.gz YRTHVVVRHUCOMA-SECBINFHSA-N -1 0 322.373 -0.238 20 0 DBADRM O=C1[N-]OC[C@H]1Nc1nc(N2CCOCC2)nc2c1CCN2 ZINC001156691565 831995015 /nfs/dbraw/zinc/99/50/15/831995015.db2.gz RLYAGVTYROZOIY-SECBINFHSA-N -1 0 306.326 -0.877 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cnc2cnc(Br)cn21 ZINC001156762505 831998089 /nfs/dbraw/zinc/99/80/89/831998089.db2.gz GXMZGFKKTUFNDR-UHFFFAOYSA-N -1 0 323.114 -0.065 20 0 DBADRM CCC(CC)(NC(=O)CCN1C(=O)CCC1=O)c1nnn[n-]1 ZINC001156919988 832009728 /nfs/dbraw/zinc/00/97/28/832009728.db2.gz BDWMTCRMHGEVHN-UHFFFAOYSA-N -1 0 308.342 -0.130 20 0 DBADRM Cn1c2ccc(OC(=O)Cn3c(=O)[n-][nH]c3=O)cc2n(C)c1=O ZINC001157008957 832015141 /nfs/dbraw/zinc/01/51/41/832015141.db2.gz GRBBXWWSIKBYFE-UHFFFAOYSA-N -1 0 319.277 -0.515 20 0 DBADRM COC(=O)c1ccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nn1 ZINC001157067660 832018535 /nfs/dbraw/zinc/01/85/35/832018535.db2.gz LUQVKOAORZXBNH-XNCJUZBTSA-N -1 0 316.295 -0.923 20 0 DBADRM C[C@H]1[C@H](Nc2ncnc3cnccc32)C(=O)N1S(=O)(=O)[O-] ZINC001157067546 832018653 /nfs/dbraw/zinc/01/86/53/832018653.db2.gz FXWYFQZLQHCMAN-RCOVLWMOSA-N -1 0 309.307 -0.161 20 0 DBADRM C[C@H]1[C@H](Nc2cnc3cccnc3n2)C(=O)N1S(=O)(=O)[O-] ZINC001157071110 832019156 /nfs/dbraw/zinc/01/91/56/832019156.db2.gz OIWWVITVQURJIU-RCOVLWMOSA-N -1 0 309.307 -0.161 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NC[C@H]2COCCO2)nc1 ZINC001157483842 832045664 /nfs/dbraw/zinc/04/56/64/832045664.db2.gz MEHMRUDFUJLKLP-JTQLQIEISA-N -1 0 315.351 -0.266 20 0 DBADRM CC1([NH3+])CN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C1 ZINC001157665263 832056275 /nfs/dbraw/zinc/05/62/75/832056275.db2.gz CXOFUMPTTSFRCC-UHFFFAOYSA-N -1 0 314.319 -0.195 20 0 DBADRM CN(CC(=O)N1CC(F)(C2CC2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653384 833803603 /nfs/dbraw/zinc/80/36/03/833803603.db2.gz DVAAYRDCELNZSQ-UHFFFAOYSA-N -1 0 308.250 -0.504 20 0 DBADRM CN(CC(=O)N(C)[C@H]1CC[C@H](O)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655284 833803920 /nfs/dbraw/zinc/80/39/20/833803920.db2.gz WBYXTPMRBODSLQ-KYZUINATSA-N -1 0 322.302 -0.703 20 0 DBADRM CC(C)[C@H]1COCCN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657514 833804359 /nfs/dbraw/zinc/80/43/59/833804359.db2.gz XGFXUBOEJWMILF-SECBINFHSA-N -1 0 322.302 -0.581 20 0 DBADRM COCC1(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CCC1 ZINC001185663200 833805132 /nfs/dbraw/zinc/80/51/32/833805132.db2.gz IPUKXJCSNMDTTL-UHFFFAOYSA-N -1 0 308.275 -0.779 20 0 DBADRM CC[C@@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C(F)(F)F ZINC001185667024 833805504 /nfs/dbraw/zinc/80/55/04/833805504.db2.gz HSKDBEPWGLJQRL-RXMQYKEDSA-N -1 0 320.208 -0.008 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CCO1 ZINC001185666414 833805667 /nfs/dbraw/zinc/80/56/67/833805667.db2.gz CGLWOUYXUFLLNE-YUMQZZPRSA-N -1 0 308.275 -0.781 20 0 DBADRM C[C@@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1cncnc1 ZINC001185664696 833806020 /nfs/dbraw/zinc/80/60/20/833806020.db2.gz YJWGHZBTDNEUFU-SSDOTTSWSA-N -1 0 316.258 -0.797 20 0 DBADRM COC(=O)[C@H]1CCN(CC(=O)NCC(=O)CCC(=O)[O-])C1 ZINC001186116711 833833955 /nfs/dbraw/zinc/83/39/55/833833955.db2.gz LOGWYCUSPFIJRG-VIFPVBQESA-N -1 0 300.311 -0.969 20 0 DBADRM CN1CC2(CCC1=O)CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001269277034 832407141 /nfs/dbraw/zinc/40/71/41/832407141.db2.gz BTKGNILSENXIPK-UHFFFAOYSA-N -1 0 324.410 -0.177 20 0 DBADRM CC[C@H](C)N1CC[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269576451 832451291 /nfs/dbraw/zinc/45/12/91/832451291.db2.gz MMFVIQPOQXNZFZ-HZMBPMFUSA-N -1 0 306.370 -0.008 20 0 DBADRM CC(=O)[C@H](C)N1CC[C@@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001269576773 832452001 /nfs/dbraw/zinc/45/20/01/832452001.db2.gz VVDCXOAQBAFITP-XPTSAGLGSA-N -1 0 320.353 -0.687 20 0 DBADRM CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)[N-]C#N)C(C)C ZINC001186618099 833860762 /nfs/dbraw/zinc/86/07/62/833860762.db2.gz ARLAUCCCBDPLAB-UWVGGRQHSA-N -1 0 300.384 -0.408 20 0 DBADRM O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001269928558 832485440 /nfs/dbraw/zinc/48/54/40/832485440.db2.gz VJCWLJIQTGQKRZ-UHFFFAOYSA-N -1 0 316.321 -0.431 20 0 DBADRM O=C(c1c[nH]c(=O)[nH]c1=O)N1CC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001269928975 832485733 /nfs/dbraw/zinc/48/57/33/832485733.db2.gz ZHLPGBDMGSQCFJ-UHFFFAOYSA-N -1 0 316.321 -0.431 20 0 DBADRM O=C(Cc1nnn[n-]1)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001270182648 832509093 /nfs/dbraw/zinc/50/90/93/832509093.db2.gz JCRBKQMIGKMCKA-TXEJJXNPSA-N -1 0 301.354 -0.054 20 0 DBADRM O=C(Cc1nnn[n-]1)N1C[C@@H]2COC[C@H](C1)N2Cc1ccc[nH]1 ZINC001270182538 832509370 /nfs/dbraw/zinc/50/93/70/832509370.db2.gz IPNOTNCKHSNGER-TXEJJXNPSA-N -1 0 317.353 -0.818 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@@H]2C[C@@]21C(=O)Nc1cn[nH]c1 ZINC001270784735 832577995 /nfs/dbraw/zinc/57/79/95/832577995.db2.gz NNCRHAKJQSAKKP-KRTXAFLBSA-N -1 0 302.298 -0.905 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCC2(C[C@@H]2C(=O)N2CC=CC2)CC1 ZINC001270789480 832578932 /nfs/dbraw/zinc/57/89/32/832578932.db2.gz REHOGTYBXZAWHC-LLVKDONJSA-N -1 0 316.365 -0.231 20 0 DBADRM CCN(C(=O)[C@H]1CC12CN(C(=O)Cc1nnn[n-]1)C2)C(C)C ZINC001270789703 832579023 /nfs/dbraw/zinc/57/90/23/832579023.db2.gz VDRMPXUPDWHFKJ-SNVBAGLBSA-N -1 0 306.370 -0.152 20 0 DBADRM CN(C)C(=O)[C@@H]1CCN(C(=O)Cc2nnn[n-]2)Cc2ccnn21 ZINC001270789200 832579159 /nfs/dbraw/zinc/57/91/59/832579159.db2.gz OXUSEUNIPLEIQH-JTQLQIEISA-N -1 0 318.341 -1.000 20 0 DBADRM CC(C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)=C1CCC1 ZINC001271281675 832650676 /nfs/dbraw/zinc/65/06/76/832650676.db2.gz DCLCWJUDJVSNDF-UHFFFAOYSA-N -1 0 307.354 -0.326 20 0 DBADRM O=C([N-]c1nnco1)c1noc2c1CN(C(=O)C1(O)CC1)CC2 ZINC001271579361 832682359 /nfs/dbraw/zinc/68/23/59/832682359.db2.gz HCQSPPJFDYRGQX-UHFFFAOYSA-N -1 0 319.277 -0.281 20 0 DBADRM CNC(=O)[C@@H]1CC12CCN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)CC2 ZINC001271608141 832686510 /nfs/dbraw/zinc/68/65/10/832686510.db2.gz IUXBGZKXKLBNEE-QMMMGPOBSA-N -1 0 306.322 -0.949 20 0 DBADRM CN1CCC2(CCN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)CC2)C1=O ZINC001271608113 832686636 /nfs/dbraw/zinc/68/66/36/832686636.db2.gz IEOOXBXKQDLPLV-UHFFFAOYSA-N -1 0 306.322 -0.852 20 0 DBADRM CCOC(=O)c1nc[nH]c1C(=O)N1CC2(C1)CN(C)C(=O)CO2 ZINC001271653679 832690686 /nfs/dbraw/zinc/69/06/86/832690686.db2.gz WFDUIHRFSWGYFU-UHFFFAOYSA-N -1 0 322.321 -0.730 20 0 DBADRM CCOC(=O)[C@H]([N-]S(=O)(=O)CCC(=O)OC)C(F)(F)F ZINC001188401170 833982337 /nfs/dbraw/zinc/98/23/37/833982337.db2.gz JLOOLOAIDFKVNJ-ZETCQYMHSA-N -1 0 321.273 -0.037 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccccn1 ZINC001188401404 833982508 /nfs/dbraw/zinc/98/25/08/833982508.db2.gz NIBAOWUIVFHOTK-LLVKDONJSA-N -1 0 316.335 -0.222 20 0 DBADRM CSc1ncc([O-])c(C(=O)N2CC3(C2)CN(C)C(=O)CO3)n1 ZINC001271952709 832722193 /nfs/dbraw/zinc/72/21/93/832722193.db2.gz LTTNVJACJZNEFV-UHFFFAOYSA-N -1 0 324.362 -0.413 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)[C@@H]2CCC(=O)NC2=O)c1[O-] ZINC001271997730 832729832 /nfs/dbraw/zinc/72/98/32/832729832.db2.gz DQUNPDNXDSQPAV-SECBINFHSA-N -1 0 323.353 -0.767 20 0 DBADRM COCCn1ccc(C(=O)n2[n-]c3ccnc(=O)c-3c2N)n1 ZINC001187915452 833958551 /nfs/dbraw/zinc/95/85/51/833958551.db2.gz KEIXBXOPTUCQAT-UHFFFAOYSA-N -1 0 302.294 -0.210 20 0 DBADRM NC(=O)c1[nH]nc2c1CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001272264869 832764326 /nfs/dbraw/zinc/76/43/26/832764326.db2.gz KRUNOAIJEKVBNV-UHFFFAOYSA-N -1 0 305.216 -0.971 20 0 DBADRM NC(=O)c1cc2c([nH]1)CN(C(=O)C[N-]C(=O)C(F)(F)F)CC2 ZINC001272265959 832764857 /nfs/dbraw/zinc/76/48/57/832764857.db2.gz ZEFDUNIOJISUTQ-UHFFFAOYSA-N -1 0 318.255 -0.323 20 0 DBADRM CC(=O)[C@H](C)N1C(=O)COCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001272282327 832767252 /nfs/dbraw/zinc/76/72/52/832767252.db2.gz AHMOYIAQTBLDLY-QMMMGPOBSA-N -1 0 322.321 -0.854 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCC[C@]12CCN(C1COC1)C2=O ZINC001272287669 832767950 /nfs/dbraw/zinc/76/79/50/832767950.db2.gz ZEALUMMRWOMEII-CQSZACIVSA-N -1 0 306.322 -0.279 20 0 DBADRM Cc1c[nH]cc1C(=O)N(CCO)CC[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001272307457 832769809 /nfs/dbraw/zinc/76/98/09/832769809.db2.gz QKSIIERDKFIFMA-UHFFFAOYSA-N -1 0 308.342 -0.629 20 0 DBADRM CCCCN1C(=O)COCC12CN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001272354376 832775674 /nfs/dbraw/zinc/77/56/74/832775674.db2.gz JDDRWEGUIDXDTF-UHFFFAOYSA-N -1 0 322.365 -0.021 20 0 DBADRM O=C(c1s[n-]c(=O)c1Cl)N1CC2(C1)NC(=O)NC2=O ZINC001159369986 832810070 /nfs/dbraw/zinc/81/00/70/832810070.db2.gz BFFRSYFQKKXCOU-UHFFFAOYSA-N -1 0 302.699 -0.464 20 0 DBADRM Cc1cc(C(=O)N[C@H](C)CC[NH2+]Cc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001272672700 832818928 /nfs/dbraw/zinc/81/89/28/832818928.db2.gz PMOQXHZZOOGVNZ-MRVPVSSYSA-N -1 0 307.358 -0.150 20 0 DBADRM COC(=O)C[C@@H](C)N(OC)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001159965307 832862027 /nfs/dbraw/zinc/86/20/27/832862027.db2.gz AQYDMTVSWNEWMP-ZCFIWIBFSA-N -1 0 304.328 -0.056 20 0 DBADRM CCc1noc(COCC(=O)NCCCc2n[nH]c(=O)[n-]2)n1 ZINC001160879622 832956379 /nfs/dbraw/zinc/95/63/79/832956379.db2.gz QERCBHXYFFXXTE-UHFFFAOYSA-N -1 0 310.314 -0.279 20 0 DBADRM Cc1nn(CC(=O)NCc2nnn[n-]2)cc1Br ZINC001177019150 833448975 /nfs/dbraw/zinc/44/89/75/833448975.db2.gz WEWHLUADROKOCG-UHFFFAOYSA-N -1 0 300.120 -0.216 20 0 DBADRM CN1C(=O)C[C@H](C(=O)N[C@@H]2CO[N-]C2=O)[C@H]1c1cccnc1 ZINC001177648225 833478753 /nfs/dbraw/zinc/47/87/53/833478753.db2.gz LCYISAKSUWAFGQ-HOSYDEDBSA-N -1 0 304.306 -0.853 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CCC[C@H](Oc2ncccn2)C1 ZINC001177739087 833480465 /nfs/dbraw/zinc/48/04/65/833480465.db2.gz LPEQOALMVFMUCM-VIFPVBQESA-N -1 0 321.366 -0.178 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N[C@H]1C(=O)NCc2ccccc21 ZINC001177742753 833480949 /nfs/dbraw/zinc/48/09/49/833480949.db2.gz FLDBHZPAWPRRGO-SNVBAGLBSA-N -1 0 304.335 -0.551 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NCc1ccccc1-n1cnnn1 ZINC001177742920 833480965 /nfs/dbraw/zinc/48/09/65/833480965.db2.gz JAIULTFKIISZIF-UHFFFAOYSA-N -1 0 317.338 -0.746 20 0 DBADRM CC(C)(CC(=O)N1CCCC1)NC(=O)Cn1nn[n-]c1=S ZINC001177742058 833480972 /nfs/dbraw/zinc/48/09/72/833480972.db2.gz DNNIJWDIEOIDJQ-UHFFFAOYSA-N -1 0 312.399 -0.131 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC001177741108 833481070 /nfs/dbraw/zinc/48/10/70/833481070.db2.gz TXDOFTISAIUINT-UHFFFAOYSA-N -1 0 319.306 -0.045 20 0 DBADRM CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3nn[n-]c3=S)C[C@H]21 ZINC001177739487 833481123 /nfs/dbraw/zinc/48/11/23/833481123.db2.gz SIQGVLORCVFOHG-MBTKJCJQSA-N -1 0 310.383 -0.809 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1ccc2c(c1)CCNC2=O ZINC001177741042 833481126 /nfs/dbraw/zinc/48/11/26/833481126.db2.gz PYUDNZIAAKTQQU-UHFFFAOYSA-N -1 0 304.335 -0.114 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CCN(c2cccnn2)CC1 ZINC001177739719 833481156 /nfs/dbraw/zinc/48/11/56/833481156.db2.gz VORKEYNEEQBRPZ-UHFFFAOYSA-N -1 0 306.355 -0.899 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001177740029 833481192 /nfs/dbraw/zinc/48/11/92/833481192.db2.gz XMZOLZSVSQNTPZ-VIFPVBQESA-N -1 0 305.310 -0.012 20 0 DBADRM NC(=O)c1ccccc1OCCNC(=O)Cn1nn[n-]c1=S ZINC001177744432 833481701 /nfs/dbraw/zinc/48/17/01/833481701.db2.gz ZRBKTCSRZORNAG-UHFFFAOYSA-N -1 0 322.350 -0.744 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H]1CCc2nccn2C1 ZINC001178118733 833494115 /nfs/dbraw/zinc/49/41/15/833494115.db2.gz FNSCKTVVXFGFAH-UWVGGRQHSA-N -1 0 309.322 -0.032 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(c2ccncn2)C1 ZINC001178136762 833495105 /nfs/dbraw/zinc/49/51/05/833495105.db2.gz MSVCEKYVKONONH-SECBINFHSA-N -1 0 303.326 -0.167 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)C1(Cc2ccccn2)CCOCC1 ZINC001178155695 833495595 /nfs/dbraw/zinc/49/55/95/833495595.db2.gz FUYWDIJZSWMMLI-GFCCVEGCSA-N -1 0 305.334 -0.033 20 0 DBADRM C[S@@](=O)CCCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001178539454 833512396 /nfs/dbraw/zinc/51/23/96/833512396.db2.gz KNWUASDNISUKAM-JOCHJYFZSA-N -1 0 324.362 -0.235 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H]2CO[N-]C2=O)C1 ZINC001178582749 833514847 /nfs/dbraw/zinc/51/48/47/833514847.db2.gz CKYCMDMOGNXOTQ-BDAKNGLRSA-N -1 0 315.326 -0.832 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H]2CO[N-]C2=O)C1 ZINC001178582772 833514929 /nfs/dbraw/zinc/51/49/29/833514929.db2.gz CKYCMDMOGNXOTQ-RKDXNWHRSA-N -1 0 315.326 -0.832 20 0 DBADRM O=C(NCS(=O)(=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001178997584 833532599 /nfs/dbraw/zinc/53/25/99/833532599.db2.gz YFWZDIMZKCWTCF-LBPRGKRZSA-N -1 0 314.363 -0.151 20 0 DBADRM CS(=O)(=O)c1ccc(CCC(=O)NCS(=O)(=O)[O-])cc1 ZINC001180074119 833568395 /nfs/dbraw/zinc/56/83/95/833568395.db2.gz UQSBKXITTSOWSJ-UHFFFAOYSA-N -1 0 321.376 -0.016 20 0 DBADRM O=C(CN1C(=O)CNC1=O)Nc1ccccc1-c1nn[nH]n1 ZINC001180384642 833583633 /nfs/dbraw/zinc/58/36/33/833583633.db2.gz VMJDIXYHTUKYOP-UHFFFAOYSA-N -1 0 301.266 -0.643 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)N[C@H]1SC(=O)[N-]C1=O ZINC001180498735 833587831 /nfs/dbraw/zinc/58/78/31/833587831.db2.gz NHMWETYVSQKUBP-JTQLQIEISA-N -1 0 301.324 -0.949 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)CCC(=O)N1CCOCC1 ZINC001180498978 833587891 /nfs/dbraw/zinc/58/78/91/833587891.db2.gz NOTLWSNKNOVJJA-UHFFFAOYSA-N -1 0 300.311 -0.825 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)CCNC(=O)C1CC1 ZINC001180854417 833606327 /nfs/dbraw/zinc/60/63/27/833606327.db2.gz IKXDITMKLOABKL-VIFPVBQESA-N -1 0 300.311 -0.575 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(Cc2ccccc2)CC1=O ZINC001181570756 833636034 /nfs/dbraw/zinc/63/60/34/833636034.db2.gz CKYMEOPQKXXSLR-LLVKDONJSA-N -1 0 315.333 -0.172 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@H]2C[C@]2(F)Cl)C(=O)N1S(=O)(=O)[O-] ZINC001181665707 833639399 /nfs/dbraw/zinc/63/93/99/833639399.db2.gz DVCFPVIGQGFHBQ-MXSWDONDSA-N -1 0 300.695 -0.571 20 0 DBADRM C[C@H]1C(=O)OC[C@H]1C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001182084381 833656025 /nfs/dbraw/zinc/65/60/25/833656025.db2.gz DGTIZVRZVRALAL-PHDIDXHHSA-N -1 0 310.353 -0.533 20 0 DBADRM Nc1c2c(=O)nccc-2[n-]n1C(=O)CC1CC(=O)NC(=O)C1 ZINC001182179407 833662948 /nfs/dbraw/zinc/66/29/48/833662948.db2.gz IAFQEFSPUCHQGN-UHFFFAOYSA-N -1 0 303.278 -0.659 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1NC(=O)c2ccccc21 ZINC001182430415 833674941 /nfs/dbraw/zinc/67/49/41/833674941.db2.gz FVVCKBNVPUBEJQ-CMPLNLGQSA-N -1 0 320.301 -0.006 20 0 DBADRM COCCCNC(=O)C1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC001182455664 833676602 /nfs/dbraw/zinc/67/66/02/833676602.db2.gz XFBTUBZOTGYRRG-UHFFFAOYSA-N -1 0 311.342 -0.485 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H]1CC[C@H](CN2C(=O)C=CC2=O)CC1 ZINC001182565558 833682088 /nfs/dbraw/zinc/68/20/88/833682088.db2.gz YAJDKYYSDRMQPF-MGCOHNPYSA-N -1 0 318.337 -0.453 20 0 DBADRM CN1C[C@@H](C(=O)NCc2cccc(-c3nn[nH]n3)c2)NC1=O ZINC001183075041 833706108 /nfs/dbraw/zinc/70/61/08/833706108.db2.gz JYUUASSGPLZSFD-JTQLQIEISA-N -1 0 301.310 -0.494 20 0 DBADRM N=C(NC(=O)[C@@H](CO)C(F)(F)F)SCCS(=O)(=O)[O-] ZINC001183286764 833712470 /nfs/dbraw/zinc/71/24/70/833712470.db2.gz BSBVMKPKPHAGLB-SCSAIBSYSA-N -1 0 324.302 -0.171 20 0 DBADRM CC(C)(C)OC(=O)N1CCC(=O)[C@@H](C(=O)NCc2nnn[n-]2)C1 ZINC001183308738 833713581 /nfs/dbraw/zinc/71/35/81/833713581.db2.gz LGUSRRBHHMYXHC-QMMMGPOBSA-N -1 0 324.341 -0.358 20 0 DBADRM CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NCS(=O)(=O)[O-] ZINC001183876689 833739860 /nfs/dbraw/zinc/73/98/60/833739860.db2.gz XODVUNKVGVHGNN-QMMMGPOBSA-N -1 0 324.355 -0.816 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)COc2ccc(OCC(=O)[O-])cc2)C1 ZINC001183906518 833741133 /nfs/dbraw/zinc/74/11/33/833741133.db2.gz NVBZEABRDHGELM-SNVBAGLBSA-N -1 0 322.317 -0.137 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@H]2CCCC[C@H]2CO)C(=O)N1S(=O)(=O)[O-] ZINC001184159895 833751489 /nfs/dbraw/zinc/75/14/89/833751489.db2.gz ICCWWKNRLPAVGS-XKNYDFJKSA-N -1 0 320.367 -0.697 20 0 DBADRM CSc1ncc([O-])c(C(=O)N2CCN3C(=O)COC[C@H]3C2)n1 ZINC001185176850 833782502 /nfs/dbraw/zinc/78/25/02/833782502.db2.gz OHBQZKPMNWTMFN-MRVPVSSYSA-N -1 0 324.362 -0.413 20 0 DBADRM CSc1ncc([O-])c(C(=O)Nc2c(N)[nH]c(=O)[nH]c2=O)n1 ZINC001185162054 833782533 /nfs/dbraw/zinc/78/25/33/833782533.db2.gz ZKPPUKJVSKKGIM-UHFFFAOYSA-N -1 0 310.295 -0.060 20 0 DBADRM N[C@@H]1NCN(C(=O)C=C([O-])c2ccccc2Cl)[C@@H]2NCN[C@@H]21 ZINC001185444128 833795064 /nfs/dbraw/zinc/79/50/64/833795064.db2.gz OTXYNSZJHAJDLK-MCIONIFRSA-N -1 0 323.784 -0.568 20 0 DBADRM Cn1cnc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)n1 ZINC001185556025 833798053 /nfs/dbraw/zinc/79/80/53/833798053.db2.gz NXNPFZABPQCNKM-UHFFFAOYSA-N -1 0 306.311 -0.204 20 0 DBADRM Cn1nnnc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001185555930 833798097 /nfs/dbraw/zinc/79/80/97/833798097.db2.gz KTRCEFFJWNCRQE-UHFFFAOYSA-N -1 0 307.299 -0.809 20 0 DBADRM Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)nn1 ZINC001185567272 833798559 /nfs/dbraw/zinc/79/85/59/833798559.db2.gz YBAVCTXLPHYZTD-UHFFFAOYSA-N -1 0 306.311 -0.204 20 0 DBADRM O=C1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001185591962 833799708 /nfs/dbraw/zinc/79/97/08/833799708.db2.gz GULTWZICDWPFNH-UHFFFAOYSA-N -1 0 309.307 -0.586 20 0 DBADRM CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)NC1C(=O)N=CN=C1[O-] ZINC001186716056 833870222 /nfs/dbraw/zinc/87/02/22/833870222.db2.gz SUBZJIJZPGADEA-PHDIDXHHSA-N -1 0 312.282 -0.717 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1ccccc1-c1nn[nH]n1 ZINC001187006863 833896031 /nfs/dbraw/zinc/89/60/31/833896031.db2.gz KHKXFACFECQQEN-SNVBAGLBSA-N -1 0 304.291 -0.094 20 0 DBADRM C[C@H]1C[C@H]1CN1CCc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001277135260 833927839 /nfs/dbraw/zinc/92/78/39/833927839.db2.gz XTGJUKDHAULBLU-IUCAKERBSA-N -1 0 316.369 -0.379 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CC2(CCN2Cc2cn[nH]c2)C1 ZINC001277167037 833930093 /nfs/dbraw/zinc/93/00/93/833930093.db2.gz FIZIAKOKDQHYBP-UHFFFAOYSA-N -1 0 308.367 -0.218 20 0 DBADRM O=S(=O)([N-]c1cc(N2CCOCC2)ncn1)c1c[nH]cn1 ZINC001187732113 833945089 /nfs/dbraw/zinc/94/50/89/833945089.db2.gz WYIHNICDNRQNAM-UHFFFAOYSA-N -1 0 310.339 -0.163 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1ncc[nH]1 ZINC001187742550 833945537 /nfs/dbraw/zinc/94/55/37/833945537.db2.gz QQSVJQGJWYLUNQ-VIFPVBQESA-N -1 0 320.309 -0.935 20 0 DBADRM O=C([N-]c1nnco1)c1noc2c1CN(Cc1cn[nH]n1)CC2 ZINC001277375323 833950430 /nfs/dbraw/zinc/95/04/30/833950430.db2.gz KHRJNGKSDPATJM-UHFFFAOYSA-N -1 0 316.281 -0.014 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2[nH]ncc2Cl)C(=O)N1S(=O)(=O)[O-] ZINC001187845907 833952736 /nfs/dbraw/zinc/95/27/36/833952736.db2.gz MYZGDKSWUJVIIQ-UCORVYFPSA-N -1 0 308.703 -0.805 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccnc(N(C)C)n1 ZINC001188006476 833962785 /nfs/dbraw/zinc/96/27/85/833962785.db2.gz PBWBBGPQMXGCSF-VIFPVBQESA-N -1 0 310.310 -0.321 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-][C@](C)(C(=O)OC)C(F)(F)F ZINC001188419881 833984339 /nfs/dbraw/zinc/98/43/39/833984339.db2.gz GGYBMSJUZQBUPY-MRVPVSSYSA-N -1 0 321.273 -0.037 20 0 DBADRM COCCCN1CCc2onc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001277695188 833984418 /nfs/dbraw/zinc/98/44/18/833984418.db2.gz AXWQAVRZDKJKSD-UHFFFAOYSA-N -1 0 321.341 -0.733 20 0 DBADRM Cn1cc([N-]S(=O)(=O)c2ccc(N3CCOCC3)nc2)nn1 ZINC001188494489 833988885 /nfs/dbraw/zinc/98/88/85/833988885.db2.gz BBXWSRXGZMEISM-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1ccc[nH]1 ZINC001188582149 833994081 /nfs/dbraw/zinc/99/40/81/833994081.db2.gz RMXRZTWTLCNKRQ-NSHDSACASA-N -1 0 319.321 -0.330 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccncc2[O-])CCN1C(C)=O ZINC001188637132 833997064 /nfs/dbraw/zinc/99/70/64/833997064.db2.gz SCAMONJKUIPVQR-LLVKDONJSA-N -1 0 307.306 -0.367 20 0 DBADRM COc1cc(C(=O)[N-]c2ncnc3n[nH]nc32)nc(OC)n1 ZINC001189083131 834045259 /nfs/dbraw/zinc/04/52/59/834045259.db2.gz GDBLCLNGHNPZRD-UHFFFAOYSA-N -1 0 302.254 -0.193 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1[nH]ncc1I ZINC001189141032 834052311 /nfs/dbraw/zinc/05/23/11/834052311.db2.gz HUOHKHDIDMGUAZ-SCSAIBSYSA-N -1 0 322.062 -0.826 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cnc(N2CCOCC2)nc1 ZINC001189394112 834072626 /nfs/dbraw/zinc/07/26/26/834072626.db2.gz IYYUWVXQIIWIMJ-UHFFFAOYSA-N -1 0 305.298 -0.933 20 0 DBADRM COCCOCC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001189471397 834087117 /nfs/dbraw/zinc/08/71/17/834087117.db2.gz KZMTVANLQXJGDQ-SNVBAGLBSA-N -1 0 313.358 -0.794 20 0 DBADRM Cn1ccc(C(=O)NC(=N)SCCS(=O)(=O)[O-])cc1=O ZINC001189647195 834102914 /nfs/dbraw/zinc/10/29/14/834102914.db2.gz BVMUCYQRNHZDNA-UHFFFAOYSA-N -1 0 319.364 -0.329 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)[O-])CCO1 ZINC001189690802 834104807 /nfs/dbraw/zinc/10/48/07/834104807.db2.gz XSRVYEBXISZHLM-VIFPVBQESA-N -1 0 314.319 -0.740 20 0 DBADRM O=C(N[C@H]1C=CS(=O)(=O)C1)c1ccccc1S(=O)(=O)[O-] ZINC001189698485 834106052 /nfs/dbraw/zinc/10/60/52/834106052.db2.gz GOBUHXJEGWISGH-QMMMGPOBSA-N -1 0 317.344 -0.026 20 0 DBADRM O=C(NC1CC(CO)(CO)C1)c1ccccc1S(=O)(=O)[O-] ZINC001189698862 834106283 /nfs/dbraw/zinc/10/62/83/834106283.db2.gz MBYCEFNCIOZVED-UHFFFAOYSA-N -1 0 315.347 -0.204 20 0 DBADRM O=C(N[C@H]1CCC(=O)NC1=O)c1ccccc1S(=O)(=O)[O-] ZINC001189699206 834106724 /nfs/dbraw/zinc/10/67/24/834106724.db2.gz QPLVBLCMSYLBTA-QMMMGPOBSA-N -1 0 312.303 -0.532 20 0 DBADRM O=S(=O)(CCCF)[N-]c1ncnc2c1ncn2CCO ZINC001189868486 834121037 /nfs/dbraw/zinc/12/10/37/834121037.db2.gz MFGBJWQBCVJXMT-UHFFFAOYSA-N -1 0 303.319 -0.080 20 0 DBADRM COc1nc(S(=O)(=O)NCC[P@@](=O)([O-])O)ccc1F ZINC001190116804 834140091 /nfs/dbraw/zinc/14/00/91/834140091.db2.gz MRQDPWHOIVCABK-UHFFFAOYSA-N -1 0 314.231 -0.315 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1ncc(F)cc1F)N1CCOCC1 ZINC001190193182 834145328 /nfs/dbraw/zinc/14/53/28/834145328.db2.gz ZOLFWMQXCCPWJU-UHFFFAOYSA-N -1 0 321.305 -0.503 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cc(CN2CCOCC2)on1 ZINC001190209690 834146461 /nfs/dbraw/zinc/14/64/61/834146461.db2.gz IVERWNGELOHYDW-UHFFFAOYSA-N -1 0 308.298 -0.740 20 0 DBADRM O=C1C[C@@H](C[N-]S(=O)(=O)c2ncc(F)cc2F)C(=O)N1 ZINC001190210430 834146691 /nfs/dbraw/zinc/14/66/91/834146691.db2.gz YFXGQBBKFVPQNE-YFKPBYRVSA-N -1 0 305.262 -0.699 20 0 DBADRM COC(=O)[C@@H](CC(N)=O)[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190205217 834146699 /nfs/dbraw/zinc/14/66/99/834146699.db2.gz LOVDPSJVWVUTAT-SSDOTTSWSA-N -1 0 323.277 -0.945 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1cc(CN2CCOCC2)on1 ZINC001190211934 834147843 /nfs/dbraw/zinc/14/78/43/834147843.db2.gz ZYECRDSRVPJSOU-UHFFFAOYSA-N -1 0 305.312 -0.918 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)c2ncc(F)cc2F)CCOC1 ZINC001190217585 834148020 /nfs/dbraw/zinc/14/80/20/834148020.db2.gz HDPLLHYHRIXIHE-LLVKDONJSA-N -1 0 322.289 -0.030 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)N[C@H](C(=O)OC)C(C)C ZINC001190255252 834149767 /nfs/dbraw/zinc/14/97/67/834149767.db2.gz RXAYYKDLYMZYBK-WPRPVWTQSA-N -1 0 318.326 -0.110 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001190309195 834151893 /nfs/dbraw/zinc/15/18/93/834151893.db2.gz VPWGTCAETOALFP-VHSXEESVSA-N -1 0 324.385 -0.542 20 0 DBADRM O=S(=O)([N-]C(CO)(CO)CO)c1cc(F)cc(F)c1F ZINC001190402526 834155567 /nfs/dbraw/zinc/15/55/67/834155567.db2.gz COFVVSPKKJBVBV-UHFFFAOYSA-N -1 0 315.269 -0.902 20 0 DBADRM NC(=O)CCCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001190508574 834162381 /nfs/dbraw/zinc/16/23/81/834162381.db2.gz PCZFZYJMYXYBKG-VHSXEESVSA-N -1 0 322.369 -0.801 20 0 DBADRM C[C@@H](O)Cn1cnc2c1ncnc2[N-]S(=O)(=O)c1ncc[nH]1 ZINC001190689450 834180282 /nfs/dbraw/zinc/18/02/82/834180282.db2.gz HTEQHESLVSPXCU-SSDOTTSWSA-N -1 0 323.338 -0.269 20 0 DBADRM O=S(=O)([N-]c1cnc(N2CCOCC2)nc1)c1ncc[nH]1 ZINC001190689659 834180435 /nfs/dbraw/zinc/18/04/35/834180435.db2.gz MVOIPMNHPJNFTG-UHFFFAOYSA-N -1 0 310.339 -0.163 20 0 DBADRM CCCc1nn(C)c(C(N)=O)c1[N-]S(=O)(=O)c1ncc[nH]1 ZINC001190689304 834180752 /nfs/dbraw/zinc/18/07/52/834180752.db2.gz FPFCXWQOQWONBU-UHFFFAOYSA-N -1 0 312.355 -0.005 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001190718561 834184186 /nfs/dbraw/zinc/18/41/86/834184186.db2.gz KAZCHBYUYZWWDL-WDEREUQCSA-N -1 0 318.374 -0.157 20 0 DBADRM CCNC(=O)COC1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001190715155 834184362 /nfs/dbraw/zinc/18/43/62/834184362.db2.gz FBBUEWSLMMCCQN-UHFFFAOYSA-N -1 0 316.383 -0.285 20 0 DBADRM CCOC(=O)c1nnc(CNS(=O)(=O)c2ncc[n-]2)o1 ZINC001190739172 834186689 /nfs/dbraw/zinc/18/66/89/834186689.db2.gz HJFXBWUZZCIDLI-UHFFFAOYSA-N -1 0 301.284 -0.552 20 0 DBADRM COC(=O)C1(NS(=O)(=O)c2ncc[n-]2)CCN(C)CC1 ZINC001190748548 834187660 /nfs/dbraw/zinc/18/76/60/834187660.db2.gz CHTBSGDJZBCRLW-UHFFFAOYSA-N -1 0 302.356 -0.675 20 0 DBADRM CC(C)(C)OC(=O)[C@H](CC(N)=O)NS(=O)(=O)c1ncc[n-]1 ZINC001190745669 834187910 /nfs/dbraw/zinc/18/79/10/834187910.db2.gz OKXBGXRFCJUZFE-ZETCQYMHSA-N -1 0 318.355 -0.726 20 0 DBADRM COCCOc1cc(CNS(=O)(=O)c2ncc[n-]2)ncn1 ZINC001190758086 834188625 /nfs/dbraw/zinc/18/86/25/834188625.db2.gz KMJVYFAKNPFYSF-UHFFFAOYSA-N -1 0 313.339 -0.297 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)c1cncc(N2CCOCC2)n1 ZINC001190774320 834190922 /nfs/dbraw/zinc/19/09/22/834190922.db2.gz WQKDNZWRZGPBJR-NSHDSACASA-N -1 0 323.334 -0.648 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cncc(N2CCOCC2)n1 ZINC001190774319 834191141 /nfs/dbraw/zinc/19/11/41/834191141.db2.gz WQKDNZWRZGPBJR-LLVKDONJSA-N -1 0 323.334 -0.648 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)c1cnc(-c2ncccn2)nc1 ZINC001190901405 834203119 /nfs/dbraw/zinc/20/31/19/834203119.db2.gz NQCREAMXNYZRED-NSHDSACASA-N -1 0 316.302 -0.028 20 0 DBADRM CSc1ncc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)c(=O)[nH]1 ZINC001191437809 834252683 /nfs/dbraw/zinc/25/26/83/834252683.db2.gz RYXZVZJQGMNQRM-SSDOTTSWSA-N -1 0 300.321 -0.057 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)Nc2cnc(C)[nH]c2=O)cc1 ZINC001191649276 834274246 /nfs/dbraw/zinc/27/42/46/834274246.db2.gz ZHJYFIBVRXHKSJ-NSHDSACASA-N -1 0 322.346 -0.278 20 0 DBADRM CN(C[C@@H](O)CO)C(=O)c1nc(Br)ccc1[O-] ZINC001191737945 834285316 /nfs/dbraw/zinc/28/53/16/834285316.db2.gz WSWFBOQICIRAGS-ZCFIWIBFSA-N -1 0 305.128 -0.025 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1cc(N2CCOCC2)ccn1 ZINC001192258604 834345935 /nfs/dbraw/zinc/34/59/35/834345935.db2.gz CEGYQAQVHDLPMX-UHFFFAOYSA-N -1 0 301.324 -0.507 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1cccc(OC2CCOCC2)n1 ZINC001192323669 834357024 /nfs/dbraw/zinc/35/70/24/834357024.db2.gz GMJXPXCCHZYTKO-UHFFFAOYSA-N -1 0 304.310 -0.163 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1cccc(OC2CCOCC2)n1 ZINC001192338761 834360217 /nfs/dbraw/zinc/36/02/17/834360217.db2.gz HWOHFNANCGSLMA-LLVKDONJSA-N -1 0 307.306 -0.201 20 0 DBADRM CCOC(=O)[C@H](N)C[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001238839007 834366824 /nfs/dbraw/zinc/36/68/24/834366824.db2.gz BKUOQPRFOPWSOV-MRVPVSSYSA-N -1 0 309.294 -0.472 20 0 DBADRM COC(=O)c1ccc([O-])c(C(=O)N[C@H](C(=O)OC)[C@@H](C)O)c1 ZINC001192396020 834369542 /nfs/dbraw/zinc/36/95/42/834369542.db2.gz KQFNADYGJLPVKA-HQJQHLMTSA-N -1 0 311.290 -0.169 20 0 DBADRM O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1c([O-])ccc(F)c1F ZINC001192769877 834420612 /nfs/dbraw/zinc/42/06/12/834420612.db2.gz PNXNURVZDTZQIE-XWWRSZOLSA-N -1 0 303.261 -0.497 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-][C@@H](C(=O)OC)[C@@H](C)O ZINC001193077788 834460351 /nfs/dbraw/zinc/46/03/51/834460351.db2.gz KFFIQLPYOULNJF-HTQZYQBOSA-N -1 0 311.356 -0.830 20 0 DBADRM C[S@@](=O)CCCCNC(=S)N[C@H]1SC(=O)[N-]C1=O ZINC001246976545 834465071 /nfs/dbraw/zinc/46/50/71/834465071.db2.gz MFJVHYIZCZFAJJ-ULCDLSAGSA-N -1 0 309.438 -0.082 20 0 DBADRM CNC(=O)c1nccnc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC001193214342 834475253 /nfs/dbraw/zinc/47/52/53/834475253.db2.gz YGZATBYNTGVSHO-MRVPVSSYSA-N -1 0 300.340 -0.243 20 0 DBADRM Cc1ccc(=O)[nH]c1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001193200201 834475484 /nfs/dbraw/zinc/47/54/84/834475484.db2.gz MWJSYTZAPOIBMN-RCOVLWMOSA-N -1 0 315.307 -0.772 20 0 DBADRM Cc1c[nH]c(C)c1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001193359877 834488122 /nfs/dbraw/zinc/48/81/22/834488122.db2.gz KIDMCPMFINCZBH-CBAPKCEASA-N -1 0 301.324 -0.237 20 0 DBADRM CN(C)S(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001251093837 834494264 /nfs/dbraw/zinc/49/42/64/834494264.db2.gz HMDGKLUZIALUJL-UHFFFAOYSA-N -1 0 305.337 -0.663 20 0 DBADRM C[C@H]1[C@H](NS(=O)(=O)c2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001251161770 834495845 /nfs/dbraw/zinc/49/58/45/834495845.db2.gz FKJRDJLSHUJNDB-CBAPKCEASA-N -1 0 320.348 -0.633 20 0 DBADRM O=C(N[C@@H]1CN(C(=O)c2cc(=O)[nH][n-]2)[C@@H]2COC[C@H]12)C1CCC1 ZINC001193464812 834499589 /nfs/dbraw/zinc/49/95/89/834499589.db2.gz AYLNAXXYGSQDDG-YUSALJHKSA-N -1 0 320.349 -0.129 20 0 DBADRM Cn1cc(N2C[C@@H]3CN(C(=O)c4cc(=O)[nH][n-]4)C[C@@H]3C2=O)cn1 ZINC001193466869 834499653 /nfs/dbraw/zinc/49/96/53/834499653.db2.gz HYTDFEREUKFEHJ-WPRPVWTQSA-N -1 0 316.321 -0.416 20 0 DBADRM O=C(NCc1ccc(N2CCOCC2)nn1)c1cc(=O)[nH][n-]1 ZINC001193476409 834500778 /nfs/dbraw/zinc/50/07/78/834500778.db2.gz WQQRZJOKNPYTKX-UHFFFAOYSA-N -1 0 304.310 -0.328 20 0 DBADRM COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)c1cc(=O)[nH][n-]1 ZINC001193475142 834501477 /nfs/dbraw/zinc/50/14/77/834501477.db2.gz SJCVHQJZACXNCQ-VIFPVBQESA-N -1 0 307.310 -0.247 20 0 DBADRM CCOC(=O)c1nonc1[N-]S(=O)(=O)c1nccn1C ZINC001193555205 834508725 /nfs/dbraw/zinc/50/87/25/834508725.db2.gz RWXJNCJYRSNLBX-UHFFFAOYSA-N -1 0 301.284 -0.219 20 0 DBADRM O=C(NCCCc1c[nH][nH]c1=O)c1ccc(-n2cncn2)nc1 ZINC001193701922 834523524 /nfs/dbraw/zinc/52/35/24/834523524.db2.gz UCGQGBLDIAHDPM-SNVBAGLBSA-N -1 0 313.321 -0.096 20 0 DBADRM CS(=O)(=O)N1CCC([N-]S(=O)(=O)C(F)(F)F)CC1 ZINC001252372475 834528217 /nfs/dbraw/zinc/52/82/17/834528217.db2.gz RHTVOSHREPVUKJ-UHFFFAOYSA-N -1 0 310.319 -0.150 20 0 DBADRM COC(=O)[C@@H](O)CNc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC001252406590 834529451 /nfs/dbraw/zinc/52/94/51/834529451.db2.gz OFRFSSXUEXEYRS-NSHDSACASA-N -1 0 316.335 -0.543 20 0 DBADRM CC(C)C[C@H]([N-]S(=O)(=O)C(F)(F)F)C(=O)NCC(N)=O ZINC001252400939 834529871 /nfs/dbraw/zinc/52/98/71/834529871.db2.gz JKOSHEYFOUOSSM-LURJTMIESA-N -1 0 319.305 -0.558 20 0 DBADRM O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(F)c([O-])c1F ZINC001193793826 834533100 /nfs/dbraw/zinc/53/31/00/834533100.db2.gz TVJJZZDOQQMVTO-PYWKRXRXSA-N -1 0 303.261 -0.497 20 0 DBADRM COC[C@@H](O)CNc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC001252808091 834553482 /nfs/dbraw/zinc/55/34/82/834553482.db2.gz CVZDTTQIJKCTST-NSHDSACASA-N -1 0 302.352 -0.069 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)c(N(C)C)n1 ZINC001253462689 834569990 /nfs/dbraw/zinc/56/99/90/834569990.db2.gz IZXITFFHTLDTFJ-UHFFFAOYSA-N -1 0 304.314 -0.776 20 0 DBADRM COCCOc1nccc(CNC(=O)c2cc(=O)n(C)[n-]2)n1 ZINC001194210580 834576617 /nfs/dbraw/zinc/57/66/17/834576617.db2.gz COCKEWNABHWOCR-UHFFFAOYSA-N -1 0 307.310 -0.129 20 0 DBADRM Cc1noc([C@]23COC[C@H]2CN(C(=O)c2cc(=O)n(C)[n-]2)C3)n1 ZINC001194195289 834576652 /nfs/dbraw/zinc/57/66/52/834576652.db2.gz IMPNKGLBDLBLKZ-YMTOWFKASA-N -1 0 319.321 -0.143 20 0 DBADRM Cn1[n-]c(C(=O)NCc2ccc(N3CCOCC3)nn2)cc1=O ZINC001194211916 834578277 /nfs/dbraw/zinc/57/82/77/834578277.db2.gz HJFCZDQEIUFVIV-UHFFFAOYSA-N -1 0 318.337 -0.318 20 0 DBADRM Nc1nc2nc(CSCCN3CCOCC3)cc(=O)n2[n-]1 ZINC001253783106 834579257 /nfs/dbraw/zinc/57/92/57/834579257.db2.gz NLBHFBJILKCQTB-UHFFFAOYSA-N -1 0 310.383 -0.435 20 0 DBADRM Cc1ccc(S(C)(=O)=O)cc1C(=O)NCS(=O)(=O)[O-] ZINC001194277501 834583802 /nfs/dbraw/zinc/58/38/02/834583802.db2.gz APDNNFMGQLMOSN-UHFFFAOYSA-N -1 0 307.349 -0.026 20 0 DBADRM COCCn1cnc(C(=O)n2[n-]c3ccnc(=O)c-3c2N)c1 ZINC001194675044 834617831 /nfs/dbraw/zinc/61/78/31/834617831.db2.gz ISBPZPPLLBQWND-UHFFFAOYSA-N -1 0 302.294 -0.210 20 0 DBADRM CNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC(=O)[N-]OC ZINC001255995569 834617782 /nfs/dbraw/zinc/61/77/82/834617782.db2.gz XFFRVWKHFDFEID-NSHDSACASA-N -1 0 308.338 -0.680 20 0 DBADRM COc1ncccc1S(=O)(=O)[N-]c1cnc(C(N)=O)cn1 ZINC001194678701 834618118 /nfs/dbraw/zinc/61/81/18/834618118.db2.gz COZOSRDOOARQMT-UHFFFAOYSA-N -1 0 309.307 -0.220 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)NCC(=O)CCC(=O)[O-])ccn1 ZINC001194692034 834620419 /nfs/dbraw/zinc/62/04/19/834620419.db2.gz PWRSOWGBJAODMN-UHFFFAOYSA-N -1 0 314.319 -0.351 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(=O)n(CCOC)c1 ZINC001256219658 834620986 /nfs/dbraw/zinc/62/09/86/834620986.db2.gz KPWRABLQRFDTDS-UHFFFAOYSA-N -1 0 313.310 -0.873 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1cc(Cl)ccc1-n1cnnn1 ZINC001194779800 834632119 /nfs/dbraw/zinc/63/21/19/834632119.db2.gz BJXDVIHWKOIUGH-UHFFFAOYSA-N -1 0 317.714 -0.109 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H](C)c1nnc2n1CCC2 ZINC001256956419 834639493 /nfs/dbraw/zinc/63/94/93/834639493.db2.gz USNBFVVIEMMIQT-MRVPVSSYSA-N -1 0 313.383 -0.188 20 0 DBADRM CS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CO[N-]C2=O)cc1F ZINC001194991920 834648289 /nfs/dbraw/zinc/64/82/89/834648289.db2.gz PDMYICOZOJUBNR-SECBINFHSA-N -1 0 317.298 -0.643 20 0 DBADRM O=S(=O)([O-])CNS(=O)(=O)c1cccc2nccnc21 ZINC001194998963 834648393 /nfs/dbraw/zinc/64/83/93/834648393.db2.gz ZHRCEKFIMBZHKE-UHFFFAOYSA-N -1 0 303.321 -0.247 20 0 DBADRM CCc1ncc(Br)c(C(=O)N=c2nn[n-]n2C)n1 ZINC001195144620 834659292 /nfs/dbraw/zinc/65/92/92/834659292.db2.gz OJKGMSKJDAZENB-UHFFFAOYSA-N -1 0 312.131 -0.001 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CNC(=O)C2)c(F)cc1F ZINC001195257200 834666987 /nfs/dbraw/zinc/66/69/87/834666987.db2.gz BUMKMNYLIWLALM-RXMQYKEDSA-N -1 0 320.273 -0.170 20 0 DBADRM CC(C)(C)[S@](=O)CCNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001258407115 834683246 /nfs/dbraw/zinc/68/32/46/834683246.db2.gz KIYHIBPVGRRKJJ-CHNSCGDPSA-N -1 0 320.411 -0.266 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C(F)(F)F ZINC001195401309 834683380 /nfs/dbraw/zinc/68/33/80/834683380.db2.gz UVTAVPQAIYSQHA-FSDSQADBSA-N -1 0 323.275 -0.630 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cccc2c(=O)[nH][nH]c(=O)c12 ZINC001259024620 834695377 /nfs/dbraw/zinc/69/53/77/834695377.db2.gz CFMYNZWSAMBZNO-UHFFFAOYSA-N -1 0 313.291 -0.044 20 0 DBADRM COC(=O)CS(=O)(=O)[N-][C@H](C(=O)OC)C1CCOCC1 ZINC001259029412 834696494 /nfs/dbraw/zinc/69/64/94/834696494.db2.gz RRNVHBWHKTZYSR-JTQLQIEISA-N -1 0 309.340 -0.953 20 0 DBADRM CCC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CCC1 ZINC001195542761 834697495 /nfs/dbraw/zinc/69/74/95/834697495.db2.gz XUSRSLXXQDWFEI-NXEZZACHSA-N -1 0 309.370 -0.248 20 0 DBADRM COC(=O)CS(=O)(=O)[N-][C@H](Cc1cccnc1)C(=O)OC ZINC001259033938 834698393 /nfs/dbraw/zinc/69/83/93/834698393.db2.gz ZJNDXROIANWSKS-SNVBAGLBSA-N -1 0 316.335 -0.742 20 0 DBADRM NC(=O)c1nc(C[N-]S(=O)(=O)c2c(F)cccc2F)no1 ZINC001259071690 834698515 /nfs/dbraw/zinc/69/85/15/834698515.db2.gz HHWXNQAJRORCMI-UHFFFAOYSA-N -1 0 318.261 -0.075 20 0 DBADRM COC(=O)CS(=O)(=O)[N-][C@H]1Oc2ccc(CCO)cc2O1 ZINC001259033491 834698570 /nfs/dbraw/zinc/69/85/70/834698570.db2.gz QZPYSVVANWTZDD-LBPRGKRZSA-N -1 0 317.319 -0.631 20 0 DBADRM Cn1nnnc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC001259139500 834700185 /nfs/dbraw/zinc/70/01/85/834700185.db2.gz RMOVBKIMOFSAEA-UHFFFAOYSA-N -1 0 317.352 -0.586 20 0 DBADRM COC(=O)C([N-]S(=O)(=O)Cc1ccc(F)cc1)C(=O)OC ZINC001259255224 834701182 /nfs/dbraw/zinc/70/11/82/834701182.db2.gz QOAVHNZSWKFJPV-UHFFFAOYSA-N -1 0 319.310 -0.040 20 0 DBADRM CCNC(=O)CC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001195570411 834701352 /nfs/dbraw/zinc/70/13/52/834701352.db2.gz FTNIAFKVBOOSLQ-UHFFFAOYSA-N -1 0 310.358 -0.929 20 0 DBADRM CN(C)C(=O)c1nc(CNS(=O)(=O)c2ccccn2)no1 ZINC001259290566 834701974 /nfs/dbraw/zinc/70/19/74/834701974.db2.gz UHJQYXBFBAANCP-UHFFFAOYSA-N -1 0 311.323 -0.355 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1cccnc1 ZINC001259609686 834705249 /nfs/dbraw/zinc/70/52/49/834705249.db2.gz AOSKATYOXANAJI-VIFPVBQESA-N -1 0 302.308 -0.234 20 0 DBADRM COC(=O)[C@@H](CC(N)=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC001259876337 834712692 /nfs/dbraw/zinc/71/26/92/834712692.db2.gz URICXZAHHMHAFQ-RXMQYKEDSA-N -1 0 306.262 -0.725 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]c2cnc(C(N)=O)nc2)cn1 ZINC001195694819 834717443 /nfs/dbraw/zinc/71/74/43/834717443.db2.gz KAQGHQYMVIMGRP-UHFFFAOYSA-N -1 0 309.307 -0.220 20 0 DBADRM CC(C)C[C@H]([N-]S(=O)(=O)C(F)F)C(=O)NCC(N)=O ZINC001259964146 834717814 /nfs/dbraw/zinc/71/78/14/834717814.db2.gz DOYKOKIFGJWRRG-LURJTMIESA-N -1 0 301.315 -0.855 20 0 DBADRM CCC[C@H]([N-]S(=O)(=O)C(F)F)[C@H](O)C(=O)NC1CC1 ZINC001259961723 834717937 /nfs/dbraw/zinc/71/79/37/834717937.db2.gz RMCGJDSSENRBGJ-YUMQZZPRSA-N -1 0 300.327 -0.063 20 0 DBADRM CCCc1nn(C)c(C(N)=O)c1[N-]S(=O)(=O)CCOC ZINC001259965921 834718258 /nfs/dbraw/zinc/71/82/58/834718258.db2.gz YHYUSLXPGLKKHW-UHFFFAOYSA-N -1 0 304.372 -0.140 20 0 DBADRM COCCS(=O)(=O)N[C@H](Cc1cccnc1)C(=O)OC ZINC001259977089 834720810 /nfs/dbraw/zinc/72/08/10/834720810.db2.gz YOMBJQHOVATEJB-LLVKDONJSA-N -1 0 302.352 -0.269 20 0 DBADRM CCOC(=O)c1nsc(C(=O)OC)c1[N-]S(N)(=O)=O ZINC001260074968 834722377 /nfs/dbraw/zinc/72/23/77/834722377.db2.gz WHKQDYSAGLLELE-UHFFFAOYSA-N -1 0 309.325 -0.278 20 0 DBADRM O=S(=O)([N-][C@@H]1CCOC1)c1nc2nc(Cl)ccn2n1 ZINC001260176366 834729144 /nfs/dbraw/zinc/72/91/44/834729144.db2.gz KDSAHXMJLDKBCB-ZCFIWIBFSA-N -1 0 303.731 -0.155 20 0 DBADRM O=S(=O)([N-][C@H]1CCOC1)c1nc2nc(Cl)ccn2n1 ZINC001260176364 834729197 /nfs/dbraw/zinc/72/91/97/834729197.db2.gz KDSAHXMJLDKBCB-LURJTMIESA-N -1 0 303.731 -0.155 20 0 DBADRM O=S(=O)([N-][C@H]1CC[C@H](O)C1)c1nc2nc(Cl)ccn2n1 ZINC001260176790 834729235 /nfs/dbraw/zinc/72/92/35/834729235.db2.gz WSNBCVDBTZMXAL-BQBZGAKWSA-N -1 0 317.758 -0.031 20 0 DBADRM O=S(=O)([N-]CCCCO)c1nc2nc(Cl)ccn2n1 ZINC001260166542 834729424 /nfs/dbraw/zinc/72/94/24/834729424.db2.gz FIHGYXLWRCWUGG-UHFFFAOYSA-N -1 0 305.747 -0.172 20 0 DBADRM CN1CC(C[N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)C1 ZINC001260180761 834730083 /nfs/dbraw/zinc/73/00/83/834730083.db2.gz YMSXNFMLTQDNMV-UHFFFAOYSA-N -1 0 316.774 -0.382 20 0 DBADRM CS(=O)(=O)C1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC001260225071 834731501 /nfs/dbraw/zinc/73/15/01/834731501.db2.gz AWAZENQSSNDSBO-UHFFFAOYSA-N -1 0 319.360 -0.198 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CO[N-]C2=O)cc1 ZINC001260240799 834731566 /nfs/dbraw/zinc/73/15/66/834731566.db2.gz HVVFSRKDDGIYKD-SECBINFHSA-N -1 0 300.292 -0.819 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)NCC2(O)COC2)c1 ZINC001260217380 834731710 /nfs/dbraw/zinc/73/17/10/834731710.db2.gz LGDVOEYFYMAHQF-UHFFFAOYSA-N -1 0 305.283 -0.437 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2[C@H](O)CCC[C@@H]2O)cc1 ZINC001260232687 834731747 /nfs/dbraw/zinc/73/17/47/834731747.db2.gz BWQQISYSTXROOM-GDNZZTSVSA-N -1 0 315.347 -0.063 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2COC(=O)C2)ccc1O ZINC001260401299 834732241 /nfs/dbraw/zinc/73/22/41/834732241.db2.gz HVMOEYCESZISBR-LURJTMIESA-N -1 0 301.276 -0.316 20 0 DBADRM C[C@@H]1CNC(=O)CN1S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260397049 834732650 /nfs/dbraw/zinc/73/26/50/834732650.db2.gz HLLLXJKRAHDJNT-SSDOTTSWSA-N -1 0 314.319 -0.401 20 0 DBADRM Cn1ncc([N-]S(=O)(=O)c2cccc3nonc32)c1C(N)=O ZINC001260435572 834733200 /nfs/dbraw/zinc/73/32/00/834733200.db2.gz HILNCAJXFMRRFT-UHFFFAOYSA-N -1 0 322.306 -0.144 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC2(CO)COC2)ccc1O ZINC001260401622 834733692 /nfs/dbraw/zinc/73/36/92/834733692.db2.gz UUEZLZAMTVTETM-UHFFFAOYSA-N -1 0 303.292 -0.870 20 0 DBADRM Cc1nn(C)c([N-]S(=O)(=O)c2cn(C)c(C)n2)c1C(N)=O ZINC001260542365 834734186 /nfs/dbraw/zinc/73/41/86/834734186.db2.gz UQXNEVPTJAQEJV-UHFFFAOYSA-N -1 0 312.355 -0.330 20 0 DBADRM O=c1ccc2cc(S(=O)(=O)NCS(=O)(=O)[O-])ccc2o1 ZINC001260454787 834734934 /nfs/dbraw/zinc/73/49/34/834734934.db2.gz LXPFWPDULJGODK-UHFFFAOYSA-N -1 0 319.316 -0.083 20 0 DBADRM Cn1c([N-]S(=O)(=O)CS(C)(=O)=O)nnc1C(F)(F)F ZINC001260583352 834736531 /nfs/dbraw/zinc/73/65/31/834736531.db2.gz APYISCODXSWYKK-UHFFFAOYSA-N -1 0 322.290 -0.422 20 0 DBADRM CC(=O)Nc1ccc([N-]S(=O)(=O)CS(C)(=O)=O)cn1 ZINC001260584056 834736808 /nfs/dbraw/zinc/73/68/08/834736808.db2.gz SHHJRTJIEFXOQD-UHFFFAOYSA-N -1 0 307.353 -0.216 20 0 DBADRM COc1ncnc([N-]S(=O)(=O)CS(C)(=O)=O)c1OC ZINC001260584733 834737307 /nfs/dbraw/zinc/73/73/07/834737307.db2.gz VMZMBTBQXYVYSR-UHFFFAOYSA-N -1 0 311.341 -0.762 20 0 DBADRM COC(=O)c1ncsc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260585274 834737235 /nfs/dbraw/zinc/73/72/35/834737235.db2.gz XALBAEVKXUMEDK-UHFFFAOYSA-N -1 0 314.366 -0.327 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1cc2n(n1)CC1(CC1)CO2 ZINC001260585230 834737249 /nfs/dbraw/zinc/73/72/49/834737249.db2.gz UKBGTXKXJDJDNC-UHFFFAOYSA-N -1 0 321.380 -0.201 20 0 DBADRM COC(=O)c1scnc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260584414 834737581 /nfs/dbraw/zinc/73/75/81/834737581.db2.gz FLTDUIYLNHSKPV-UHFFFAOYSA-N -1 0 314.366 -0.327 20 0 DBADRM COC(=O)c1nsnc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260584608 834737622 /nfs/dbraw/zinc/73/76/22/834737622.db2.gz ONVYWEWQYLNCJJ-UHFFFAOYSA-N -1 0 315.354 -0.932 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1nccnc1C(=O)NC ZINC001195941365 834738422 /nfs/dbraw/zinc/73/84/22/834738422.db2.gz GAPAWGQWSGJUBI-UHFFFAOYSA-N -1 0 302.312 -0.859 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cncnc1C(=O)OCC ZINC001195942466 834738876 /nfs/dbraw/zinc/73/88/76/834738876.db2.gz NMHMSSVSPISMKL-UHFFFAOYSA-N -1 0 317.323 -0.042 20 0 DBADRM Cc1ccc2c(c1)[C@@H](NS(=O)(=O)CS(C)(=O)=O)C(=O)N2 ZINC001260593171 834740526 /nfs/dbraw/zinc/74/05/26/834740526.db2.gz ABSFYIQFZNTILE-SNVBAGLBSA-N -1 0 318.376 -0.090 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)Nc1ccc2c(c1)NC(=O)C2 ZINC001260591869 834740891 /nfs/dbraw/zinc/74/08/91/834740891.db2.gz PRILJRXLWOCMOS-UHFFFAOYSA-N -1 0 304.349 -0.075 20 0 DBADRM CNC(=O)c1ccccc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260590871 834740781 /nfs/dbraw/zinc/74/07/81/834740781.db2.gz PRLDYXOJDQFLDV-UHFFFAOYSA-N -1 0 306.365 -0.210 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cc(O)cc(C(N)=O)c1 ZINC001195984224 834743828 /nfs/dbraw/zinc/74/38/28/834743828.db2.gz LKOZECQBWQYKPO-UHFFFAOYSA-N -1 0 302.308 -0.204 20 0 DBADRM Cn1nnnc1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001260598848 834743924 /nfs/dbraw/zinc/74/39/24/834743924.db2.gz LZGCFZBPUXRIHC-UHFFFAOYSA-N -1 0 317.352 -0.586 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]Cc1nnc(C(=O)OCC)o1 ZINC001195984657 834744100 /nfs/dbraw/zinc/74/41/00/834744100.db2.gz VVLPSANHLULPDA-UHFFFAOYSA-N -1 0 321.311 -0.771 20 0 DBADRM Cn1ncc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)n1 ZINC001260667687 834744746 /nfs/dbraw/zinc/74/47/46/834744746.db2.gz DYUPZFLOLUYYQA-UHFFFAOYSA-N -1 0 309.307 -0.053 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C1=C(C(=O)OCC)CO[C@@H]1C ZINC001195991608 834744857 /nfs/dbraw/zinc/74/48/57/834744857.db2.gz ICEKVZQBYJFPCY-MRVPVSSYSA-N -1 0 321.351 -0.295 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cc(=O)[nH]c(=O)n1C1CC1 ZINC001195991299 834745489 /nfs/dbraw/zinc/74/54/89/834745489.db2.gz CXOMRIRWAYBMEB-UHFFFAOYSA-N -1 0 317.323 -0.411 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NCC2OCCO2)s1 ZINC001260710047 834745526 /nfs/dbraw/zinc/74/55/26/834745526.db2.gz WMHQPGFWRIVRMA-UHFFFAOYSA-N -1 0 307.353 -0.247 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NCC(=O)CCO)s1 ZINC001260710788 834745654 /nfs/dbraw/zinc/74/56/54/834745654.db2.gz BXZKPULRWDODBY-UHFFFAOYSA-N -1 0 307.353 -0.669 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NC2(CCO)COC2)s1 ZINC001260708960 834746167 /nfs/dbraw/zinc/74/61/67/834746167.db2.gz LTTVTVPEIIRNIM-UHFFFAOYSA-N -1 0 321.380 -0.469 20 0 DBADRM CC(=O)Nc1cccc(S(=O)(=O)NCS(=O)(=O)[O-])c1 ZINC001260814202 834747091 /nfs/dbraw/zinc/74/70/91/834747091.db2.gz OHHXMFZJYNMSTG-UHFFFAOYSA-N -1 0 308.337 -0.231 20 0 DBADRM NC(=O)C(NS(=O)(=O)Cc1cccc(Cl)c1)C(N)=O ZINC001260836032 834747187 /nfs/dbraw/zinc/74/71/87/834747187.db2.gz KLIXOSZBTWXAEF-UHFFFAOYSA-N -1 0 305.743 -0.901 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1c[nH]c(=S)[nH]c1=O ZINC001196023512 834748987 /nfs/dbraw/zinc/74/89/87/834748987.db2.gz JVZOQCJHYKGJBI-LURJTMIESA-N -1 0 315.307 -0.393 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001261083932 834750965 /nfs/dbraw/zinc/75/09/65/834750965.db2.gz UCQWUPVXXNFUHJ-QJPTWQEYSA-N -1 0 316.354 -0.619 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001261140053 834757895 /nfs/dbraw/zinc/75/78/95/834757895.db2.gz GYHNTPKIVQDIJX-SNVBAGLBSA-N -1 0 315.370 -0.651 20 0 DBADRM CCc1cc(=O)n2[n-]c(NS(=O)(=O)c3ccn(C)n3)nc2n1 ZINC001261136876 834758031 /nfs/dbraw/zinc/75/80/31/834758031.db2.gz UBCFIQLFRWJIOE-UHFFFAOYSA-N -1 0 323.338 -0.486 20 0 DBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)[N-]OCC2CC2)c1 ZINC001261241996 834772490 /nfs/dbraw/zinc/77/24/90/834772490.db2.gz FTSMXHMYMVJZLI-UHFFFAOYSA-N -1 0 313.335 -0.270 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1ccc(N2CCOCC2=O)cc1 ZINC001196278825 834775911 /nfs/dbraw/zinc/77/59/11/834775911.db2.gz IGIFYGHKZYQRFD-UHFFFAOYSA-N -1 0 314.319 -0.375 20 0 DBADRM O=C(c1cc(Cl)ncc1[O-])N1CC(N2CCNC(=O)C2)C1 ZINC001196394438 834783704 /nfs/dbraw/zinc/78/37/04/834783704.db2.gz AVTMKIKFLOPBED-UHFFFAOYSA-N -1 0 310.741 -0.303 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])c(=O)n1C ZINC001261488710 834793869 /nfs/dbraw/zinc/79/38/69/834793869.db2.gz XHGIBUFJKKSHNH-UHFFFAOYSA-N -1 0 309.322 -0.709 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)n1 ZINC001261488362 834794015 /nfs/dbraw/zinc/79/40/15/834794015.db2.gz OYJSWOKDKFNCCJ-UHFFFAOYSA-N -1 0 309.326 -0.855 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](COC)c1ccccc1 ZINC001261533922 834801864 /nfs/dbraw/zinc/80/18/64/834801864.db2.gz ASSSHRYJTNZGDG-LBPRGKRZSA-N -1 0 323.349 -0.326 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC001261536872 834803114 /nfs/dbraw/zinc/80/31/14/834803114.db2.gz BYMXPRWLZVUQDF-MNOVXSKESA-N -1 0 315.370 -0.510 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1sccc1C ZINC001261539212 834803870 /nfs/dbraw/zinc/80/38/70/834803870.db2.gz DRKOLCYRLBIZKX-UHFFFAOYSA-N -1 0 313.379 -0.101 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)COCC1CC1 ZINC001261543207 834804824 /nfs/dbraw/zinc/80/48/24/834804824.db2.gz HJQMDQLYWLYFOQ-VIFPVBQESA-N -1 0 301.343 -0.898 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCS[C@H](C)[C@H]1C ZINC001261543077 834804834 /nfs/dbraw/zinc/80/48/34/834804834.db2.gz CRXPLOOOVZNRDI-RKDXNWHRSA-N -1 0 303.384 -0.477 20 0 DBADRM N=C(NC(=O)c1ncc(F)cn1)SCCS(=O)(=O)[O-] ZINC001197213226 834847078 /nfs/dbraw/zinc/84/70/78/834847078.db2.gz AYAOVEDELGGLCJ-UHFFFAOYSA-N -1 0 308.316 -0.099 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2ccc[nH]c2=O)C1 ZINC001261818679 834853890 /nfs/dbraw/zinc/85/38/90/834853890.db2.gz FEPWOSCQUOJFDO-CQSZACIVSA-N -1 0 307.306 -0.273 20 0 DBADRM CC1(CCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CC1 ZINC001197451220 834869211 /nfs/dbraw/zinc/86/92/11/834869211.db2.gz XLOWXCNZRNRCGL-NXEZZACHSA-N -1 0 309.370 -0.248 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1noc2ccccc12 ZINC001262128539 834908050 /nfs/dbraw/zinc/90/80/50/834908050.db2.gz COZJLXRTFCFICP-UHFFFAOYSA-N -1 0 320.305 -0.372 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cnn(-c2ncccn2)c1 ZINC001197837132 834909003 /nfs/dbraw/zinc/90/90/03/834909003.db2.gz YNIZRAWHQXIOGD-SECBINFHSA-N -1 0 304.291 -0.299 20 0 DBADRM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccccn1)[C@@H](C)O ZINC001197838516 834909246 /nfs/dbraw/zinc/90/92/46/834909246.db2.gz OBKOZKFBBNXCTK-KOLCDFICSA-N -1 0 302.352 -0.187 20 0 DBADRM CSC[C@@H](NC(=O)NCCCN1CCOCC1)C(=O)[O-] ZINC001262175710 834914522 /nfs/dbraw/zinc/91/45/22/834914522.db2.gz PJCPUJWKSXLGKA-SNVBAGLBSA-N -1 0 305.400 -0.176 20 0 DBADRM CC(C)(O)C1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001262203880 834917857 /nfs/dbraw/zinc/91/78/57/834917857.db2.gz FDSMLQSFFJHRNQ-NWDGAFQWSA-N -1 0 324.377 -0.215 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(F)c(F)c1 ZINC001262223707 834920941 /nfs/dbraw/zinc/92/09/41/834920941.db2.gz BKYISHIAHGJSLE-UHFFFAOYSA-N -1 0 301.249 -0.625 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CCc2ccccc21 ZINC001262237056 834923131 /nfs/dbraw/zinc/92/31/31/834923131.db2.gz SEWUVMJVLNIHPN-NSHDSACASA-N -1 0 305.334 -0.374 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(N(C)C)cc1 ZINC001262250813 834925483 /nfs/dbraw/zinc/92/54/83/834925483.db2.gz FFKBFTYKRCYMJT-UHFFFAOYSA-N -1 0 322.365 -0.795 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC001262266831 834925961 /nfs/dbraw/zinc/92/59/61/834925961.db2.gz AMGLCCIAVKQCQX-NHYWBVRUSA-N -1 0 305.334 -0.373 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)NCC(=O)[N-]OC)CC(F)(F)F ZINC001262289890 834928575 /nfs/dbraw/zinc/92/85/75/834928575.db2.gz OSZSOJQHOSEUFP-SSDOTTSWSA-N -1 0 313.276 -0.125 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC001262292533 834928766 /nfs/dbraw/zinc/92/87/66/834928766.db2.gz ZTDPSPXUCXTUMG-PBINXNQUSA-N -1 0 315.395 -0.287 20 0 DBADRM O=S(=O)([O-])CNS(=O)(=O)c1ccc2nccnc2c1 ZINC001198167300 834930612 /nfs/dbraw/zinc/93/06/12/834930612.db2.gz DAIRQYVXXYHWKK-UHFFFAOYSA-N -1 0 303.321 -0.247 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)CCCc1ccccc1 ZINC001262315422 834933515 /nfs/dbraw/zinc/93/35/15/834933515.db2.gz LHWLPVSIFPZIIH-UHFFFAOYSA-N -1 0 307.350 -0.129 20 0 DBADRM Nc1cccc(S(=O)(=O)N2Cc3nncn3C[C@@H]2C(=O)[O-])c1 ZINC001262379820 834938377 /nfs/dbraw/zinc/93/83/77/834938377.db2.gz NHUZXSZZCSDIOW-SNVBAGLBSA-N -1 0 323.334 -0.482 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1ccc(N2CCCNC2=O)nc1 ZINC001198470639 834948085 /nfs/dbraw/zinc/94/80/85/834948085.db2.gz RSLKIANISHTYTA-UHFFFAOYSA-N -1 0 314.323 -0.424 20 0 DBADRM C=CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]C(N)=O)cc1 ZINC001198609650 834955735 /nfs/dbraw/zinc/95/57/35/834955735.db2.gz LIGDUPOEZMFDDT-UHFFFAOYSA-N -1 0 305.337 -0.071 20 0 DBADRM CN1CCO[C@@H](CNS(=O)(=O)c2ccccc2C(=O)[O-])C1 ZINC001198792515 834967528 /nfs/dbraw/zinc/96/75/28/834967528.db2.gz OFYXEVLRIHJDJK-JTQLQIEISA-N -1 0 314.363 -0.006 20 0 DBADRM CCOCCCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCOCC1 ZINC001263359680 834979322 /nfs/dbraw/zinc/97/93/22/834979322.db2.gz LWEQZUVJDUFMQZ-UHFFFAOYSA-N -1 0 322.369 -0.235 20 0 DBADRM N=C(NC(=O)c1ccc(O)c(=O)[nH]1)SCCS(=O)(=O)[O-] ZINC001199200480 834999481 /nfs/dbraw/zinc/99/94/81/834999481.db2.gz VNHCCQCUNVOJAK-UHFFFAOYSA-N -1 0 321.336 -0.222 20 0 DBADRM CNC(=O)C1(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)CC1 ZINC001264165123 835015616 /nfs/dbraw/zinc/01/56/16/835015616.db2.gz YURMVWJCJCZLPD-BDAKNGLRSA-N -1 0 322.369 -0.885 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cc(N2CCCNC2=O)ncn1 ZINC001199427317 835021586 /nfs/dbraw/zinc/02/15/86/835021586.db2.gz DHZDLHZQBFMNHL-UHFFFAOYSA-N -1 0 318.297 -0.850 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1ccncc1OC1CCOCC1 ZINC001199620704 835040099 /nfs/dbraw/zinc/04/00/99/835040099.db2.gz YIHAJIHHIQBLHV-UHFFFAOYSA-N -1 0 304.310 -0.163 20 0 DBADRM Cc1cc(OCC(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001264996056 835065965 /nfs/dbraw/zinc/06/59/65/835065965.db2.gz BFLSQCMIXJCHMM-UHFFFAOYSA-N -1 0 324.341 -0.176 20 0 DBADRM C[N@H+](CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ccccn1 ZINC001265064055 835083652 /nfs/dbraw/zinc/08/36/52/835083652.db2.gz UADKHVWDXOGCKN-UHFFFAOYSA-N -1 0 320.353 -0.277 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCN(C)Cc2nnnn2C)c1[O-] ZINC001265826437 835178956 /nfs/dbraw/zinc/17/89/56/835178956.db2.gz HTXMANYEQSGTOW-UHFFFAOYSA-N -1 0 308.346 -0.801 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2ccc3nccn3c2)C(=O)N1S(=O)(=O)[O-] ZINC001201281724 835180248 /nfs/dbraw/zinc/18/02/48/835180248.db2.gz GBPQXZKMBSHOTN-XVKPBYJWSA-N -1 0 324.318 -0.534 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-][C@H](C(=O)OC)C(F)(F)F ZINC001201924067 835220166 /nfs/dbraw/zinc/22/01/66/835220166.db2.gz XITUWFBIDCUONZ-SSDOTTSWSA-N -1 0 321.273 -0.037 20 0 DBADRM COC(CO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-])OC ZINC001204894121 835330148 /nfs/dbraw/zinc/33/01/48/835330148.db2.gz BDZNDPHAKJYQDI-JTQLQIEISA-N -1 0 313.372 -0.790 20 0 DBADRM COCC(=O)N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1C ZINC001205707859 835351545 /nfs/dbraw/zinc/35/15/45/835351545.db2.gz VZPLTXZVZAYELP-ZYHUDNBSSA-N -1 0 319.365 -0.395 20 0 DBADRM COC[C@@H](C)C(=O)N(C)CC[NH2+]Cc1cc(=O)n2[n-]ccc2n1 ZINC001266656716 835353660 /nfs/dbraw/zinc/35/36/60/835353660.db2.gz BAVZAAPSDHNBAM-LLVKDONJSA-N -1 0 321.381 -0.147 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OC[C@H]1CCCO1 ZINC001205985220 835373453 /nfs/dbraw/zinc/37/34/53/835373453.db2.gz MXFPBKNRDFFSNX-NEPJUHHUSA-N -1 0 309.384 -0.229 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCc1nnc[nH]1 ZINC001206849005 835417779 /nfs/dbraw/zinc/41/77/79/835417779.db2.gz DMEAIEXVOHWCFF-RKDXNWHRSA-N -1 0 320.357 -0.802 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)NC(C)C)C[C@H]2C)c1[O-] ZINC001206874496 835421536 /nfs/dbraw/zinc/42/15/36/835421536.db2.gz UYKBMAAOOMXMNS-MWLCHTKSSA-N -1 0 323.397 -0.002 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCc1ncc[nH]1 ZINC001206921454 835437198 /nfs/dbraw/zinc/43/71/98/835437198.db2.gz QUUWTZFREWNXIO-NXEZZACHSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1nc[nH]c(=O)c1CCC(=O)NC1CN(CCOCCO)C1 ZINC001267650880 835551529 /nfs/dbraw/zinc/55/15/29/835551529.db2.gz FPFOCQYSLZCUND-UHFFFAOYSA-N -1 0 324.381 -0.767 20 0 DBADRM O=C(CCn1cccn1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001268511490 835712587 /nfs/dbraw/zinc/71/25/87/835712587.db2.gz KWGPGFDMQLVLBJ-UPHRSURJSA-N -1 0 305.342 -0.441 20 0 DBADRM CC(C)(C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)c1c[nH]cn1 ZINC001268612451 835755257 /nfs/dbraw/zinc/75/52/57/835755257.db2.gz GMZITIPCMBGBNI-ARJAWSKDSA-N -1 0 319.369 -0.027 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@H]2COc3ccccc3O2)nn1 ZINC000321628930 970790259 /nfs/dbraw/zinc/79/02/59/970790259.db2.gz SWNQAPCGORRFNQ-GFCCVEGCSA-N -1 0 318.289 -0.068 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)NCCn2cc(C(=O)[O-])nn2)c1C ZINC000321676861 970796825 /nfs/dbraw/zinc/79/68/25/970796825.db2.gz YPTQITWSIVXVNC-UHFFFAOYSA-N -1 0 320.309 -0.883 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cn1cnc2ccccc21 ZINC000321832151 970812449 /nfs/dbraw/zinc/81/24/49/970812449.db2.gz GRMWZJZXUDPKQG-LBPRGKRZSA-N -1 0 316.317 -0.162 20 0 DBADRM COc1ccccc1OCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000321812188 970811676 /nfs/dbraw/zinc/81/16/76/970811676.db2.gz BWTMTTHMMUIUGM-JTQLQIEISA-N -1 0 322.317 -0.124 20 0 DBADRM Cn1cc(C(=O)OCC(=O)NCC(=O)[O-])c2ccccc2c1=O ZINC001600937690 970884584 /nfs/dbraw/zinc/88/45/84/970884584.db2.gz LTPFHPDSRXFYPO-UHFFFAOYSA-N -1 0 318.285 -0.104 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)c1cnc(C(=O)[O-])cn1)CC2 ZINC001601018454 970907612 /nfs/dbraw/zinc/90/76/12/970907612.db2.gz TYYZOVPOBQVGCK-UHFFFAOYSA-N -1 0 315.289 -0.533 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)cc1F ZINC000323097318 970965699 /nfs/dbraw/zinc/96/56/99/970965699.db2.gz UPBCXOFVWJLRKX-ZJUUUORDSA-N -1 0 305.283 -0.438 20 0 DBADRM O=C([O-])c1cncc(NC(=O)NN2CCS(=O)(=O)CC2)c1 ZINC001601628415 971033532 /nfs/dbraw/zinc/03/35/32/971033532.db2.gz KGXFMZGWKUAUMY-UHFFFAOYSA-N -1 0 314.323 -0.453 20 0 DBADRM COc1cc(NC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)nn1C ZINC000324302395 971107064 /nfs/dbraw/zinc/10/70/64/971107064.db2.gz QPNAMXZHKUBNCF-UHFFFAOYSA-N -1 0 321.297 -0.193 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCO[C@@H](CN2CCOCC2)C1 ZINC001602175370 971163746 /nfs/dbraw/zinc/16/37/46/971163746.db2.gz VDFKFZQTNAJGLN-RWMBFGLXSA-N -1 0 312.366 -0.343 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N(CCO)CCOCCO)C1 ZINC001602177764 971165505 /nfs/dbraw/zinc/16/55/05/971165505.db2.gz MFJKNXPLDGSXGY-MNOVXSKESA-N -1 0 304.343 -0.748 20 0 DBADRM C[C@@H](C(=O)N(C)CCc1ncon1)n1cnc(-c2nnn[n-]2)n1 ZINC001573605002 947520474 /nfs/dbraw/zinc/52/04/74/947520474.db2.gz SBKBYBGPJGHWKD-ZETCQYMHSA-N -1 0 318.301 -0.897 20 0 DBADRM C[C@H](C(=O)N1CCO[C@@H]2CCC[C@@H]21)n1cnc(-c2nnn[n-]2)n1 ZINC001573641826 947859061 /nfs/dbraw/zinc/85/90/61/947859061.db2.gz NRAFEHSSEFMHCM-KXUCPTDWSA-N -1 0 318.341 -0.201 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCn2ccnc21)n1cnc(-c2nnn[n-]2)n1 ZINC001573673846 948114929 /nfs/dbraw/zinc/11/49/29/948114929.db2.gz LQSOEXGFLJIYGG-SFYZADRCSA-N -1 0 314.313 -0.523 20 0 DBADRM CC(=O)N1CC[C@H](C)[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573435536 948233668 /nfs/dbraw/zinc/23/36/68/948233668.db2.gz YIOCQLJCISOKFG-GXSJLCMTSA-N -1 0 316.369 -0.005 20 0 DBADRM Cc1nn(C)cc1C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485288210 1013088302 /nfs/dbraw/zinc/08/83/02/1013088302.db2.gz UYYVHJLLVAUMRE-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@H]1CC12CC(O)C2 ZINC001570918084 948569405 /nfs/dbraw/zinc/56/94/05/948569405.db2.gz KRXWJTCRKOODIF-ZQQUDOKWSA-N -1 0 316.321 -0.081 20 0 DBADRM CNc1ccc(Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)cn1 ZINC001570918233 948570999 /nfs/dbraw/zinc/57/09/99/948570999.db2.gz BEFWGJYVXXAZJI-UHFFFAOYSA-N -1 0 315.297 -0.154 20 0 DBADRM C[C@]1(CNC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CCC(=O)N1 ZINC001570918566 948574289 /nfs/dbraw/zinc/57/42/89/948574289.db2.gz RBFWIILHKPNNHT-CQSZACIVSA-N -1 0 316.321 -0.029 20 0 DBADRM COc1cccc(CNC(=O)Cn2cc(-c3nnn[n-]3)nn2)c1 ZINC001570920044 948594397 /nfs/dbraw/zinc/59/43/97/948594397.db2.gz GHAHNHRDNAGJKD-UHFFFAOYSA-N -1 0 314.309 -0.217 20 0 DBADRM C[C@H](C(=O)NN1C[C@@H]2CCC[C@@H]2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573731800 948596993 /nfs/dbraw/zinc/59/69/93/948596993.db2.gz ZGAYYROMFWTMBF-BBBLOLIVSA-N -1 0 317.357 -0.218 20 0 DBADRM CCc1c[nH]c(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)n1 ZINC001570921102 948614402 /nfs/dbraw/zinc/61/44/02/948614402.db2.gz NTJXWCCZQLJTSE-UHFFFAOYSA-N -1 0 317.313 -0.436 20 0 DBADRM COC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)s1)c1nnn[n-]1 ZINC001570923284 948658173 /nfs/dbraw/zinc/65/81/73/948658173.db2.gz XALXFWZJIZLSRU-YFKPBYRVSA-N -1 0 321.326 -0.441 20 0 DBADRM CC(C)[C@@H](F)C(=O)N[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574078196 948753285 /nfs/dbraw/zinc/75/32/85/948753285.db2.gz ASRNOUYCMYNQGO-PSASIEDQSA-N -1 0 322.348 -0.011 20 0 DBADRM CC(C)[C@H](F)C(=O)N[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574078197 948753501 /nfs/dbraw/zinc/75/35/01/948753501.db2.gz ASRNOUYCMYNQGO-SCZZXKLOSA-N -1 0 322.348 -0.011 20 0 DBADRM CC[C@H](CNC(=O)c1nc2ncc(CCO)cn2n1)C(=O)[O-] ZINC001589553191 948772343 /nfs/dbraw/zinc/77/23/43/948772343.db2.gz YFGGTLIOXHVKRJ-SECBINFHSA-N -1 0 307.310 -0.500 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCC(C(=O)[O-])CC1 ZINC001589555054 948782024 /nfs/dbraw/zinc/78/20/24/948782024.db2.gz DQQOHPBNDVLUMQ-JTQLQIEISA-N -1 0 321.399 -0.180 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001589555202 948783673 /nfs/dbraw/zinc/78/36/73/948783673.db2.gz LIAHHFXMMAWQKR-PRHODGIISA-N -1 0 306.384 -0.069 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000037434420 948831478 /nfs/dbraw/zinc/83/14/78/948831478.db2.gz ICYURLZFOHLPSS-NSHDSACASA-N -1 0 315.347 -0.061 20 0 DBADRM CN1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000037656193 948838016 /nfs/dbraw/zinc/83/80/16/948838016.db2.gz RXQGBRDQXCQRJT-UHFFFAOYSA-N -1 0 305.400 -0.335 20 0 DBADRM CC[C@H](NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)[C@@H](C)O ZINC001589564619 948844101 /nfs/dbraw/zinc/84/41/01/948844101.db2.gz NFGFXJFQSDGVNB-VWYCJHECSA-N -1 0 315.370 -0.089 20 0 DBADRM CC[C@H](NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)[C@@H](C)O ZINC001589564617 948845282 /nfs/dbraw/zinc/84/52/82/948845282.db2.gz NFGFXJFQSDGVNB-OUAUKWLOSA-N -1 0 315.370 -0.089 20 0 DBADRM CCCCN(CC(N)=O)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037837253 948846887 /nfs/dbraw/zinc/84/68/87/948846887.db2.gz FFQOYYAOBJHZAL-UHFFFAOYSA-N -1 0 321.399 -0.385 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000040817932 948857030 /nfs/dbraw/zinc/85/70/30/948857030.db2.gz VCWHONCNTSOELR-LURJTMIESA-N -1 0 306.278 -0.709 20 0 DBADRM CC[C@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC001589566004 948868984 /nfs/dbraw/zinc/86/89/84/948868984.db2.gz MYHIYYHBEQFXAM-AXFHLTTASA-N -1 0 313.354 -0.214 20 0 DBADRM CC[C@@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC001589566005 948869264 /nfs/dbraw/zinc/86/92/64/948869264.db2.gz MYHIYYHBEQFXAM-OUAUKWLOSA-N -1 0 313.354 -0.214 20 0 DBADRM CS(=O)(=O)c1ccc(CNC(=O)COCC(=O)[O-])cc1 ZINC000045173810 948905510 /nfs/dbraw/zinc/90/55/10/948905510.db2.gz YDGJIFHERIRXBE-UHFFFAOYSA-N -1 0 301.320 -0.193 20 0 DBADRM CCC(O)(CC)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589573857 948926697 /nfs/dbraw/zinc/92/66/97/948926697.db2.gz QQXRZXOOBKKYNW-UHFFFAOYSA-N -1 0 321.395 -0.067 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)c1ncn(C)n1 ZINC001575250381 949115946 /nfs/dbraw/zinc/11/59/46/949115946.db2.gz FVKHKARLHDLVHJ-RNFRBKRXSA-N -1 0 317.317 -0.975 20 0 DBADRM CSc1nc(=O)[nH]c(C)c1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000090275771 949120985 /nfs/dbraw/zinc/12/09/85/949120985.db2.gz UDUVDNWHHZOLMH-NSHDSACASA-N -1 0 301.324 -0.222 20 0 DBADRM CC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC000090276897 949122571 /nfs/dbraw/zinc/12/25/71/949122571.db2.gz VTRUKHVCWOFOTA-GFCCVEGCSA-N -1 0 316.335 -0.241 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1nncn1C ZINC001575255204 949224457 /nfs/dbraw/zinc/22/44/57/949224457.db2.gz YLJXABJHHVLEDL-RQJHMYQMSA-N -1 0 317.317 -0.975 20 0 DBADRM C[C@@H]1CCC[C@@]1(O)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001576153140 949275875 /nfs/dbraw/zinc/27/58/75/949275875.db2.gz KXCABUOKJZNNMY-FUXBKTLASA-N -1 0 321.341 -0.371 20 0 DBADRM O=C([O-])c1ccc(/C=C/C(=O)N2CC3(C2)C[C@H](O)CNC3=O)o1 ZINC001595225372 949284223 /nfs/dbraw/zinc/28/42/23/949284223.db2.gz LGVUDKQOSLGMIE-LXOKAJLYSA-N -1 0 320.301 -0.300 20 0 DBADRM CC[C@]1(NC(=O)NCCOCCOCC(=O)[O-])CCOC1 ZINC001589615152 949358218 /nfs/dbraw/zinc/35/82/18/949358218.db2.gz HJUYASKIJFWEPU-ZDUSSCGKSA-N -1 0 304.343 -0.028 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCN(C2CCC2)CC1 ZINC000378734283 971575685 /nfs/dbraw/zinc/57/56/85/971575685.db2.gz YOFDKJFLYURABS-UHFFFAOYSA-N -1 0 314.367 -0.033 20 0 DBADRM O=C(C[C@H]1CCS(=O)(=O)C1)NCC1(C(=O)[O-])CCOCC1 ZINC000165925153 949439745 /nfs/dbraw/zinc/43/97/45/949439745.db2.gz PMOFNHYAGPIKSO-SNVBAGLBSA-N -1 0 319.379 -0.191 20 0 DBADRM CC[C@@H]1CN([C@@H]2CCN(CC(=O)[O-])C2=O)C[C@@]2(CCOC2)O1 ZINC001589626987 949496256 /nfs/dbraw/zinc/49/62/56/949496256.db2.gz USALDXXZUBMIKA-LALPHHSUSA-N -1 0 312.366 -0.058 20 0 DBADRM CCC[C@H](C(=O)N1CC[C@](COC)(C(=O)[O-])C1)S(N)(=O)=O ZINC001589630505 949529977 /nfs/dbraw/zinc/52/99/77/949529977.db2.gz GLKVQAIQAJJRRG-SKDRFNHKSA-N -1 0 322.383 -0.607 20 0 DBADRM CCC[C@@H](C(=O)NC1(C(=O)[O-])CCOCC1)S(N)(=O)=O ZINC001589631014 949540171 /nfs/dbraw/zinc/54/01/71/949540171.db2.gz WFHGJSQKEWAGAR-QMMMGPOBSA-N -1 0 308.356 -0.806 20 0 DBADRM CCC[C@H](C(=O)NC1(C(=O)[O-])CCOCC1)S(N)(=O)=O ZINC001589631013 949541005 /nfs/dbraw/zinc/54/10/05/949541005.db2.gz WFHGJSQKEWAGAR-MRVPVSSYSA-N -1 0 308.356 -0.806 20 0 DBADRM CCC[C@@H](O)CNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589634693 949599127 /nfs/dbraw/zinc/59/91/27/949599127.db2.gz WARZLBJYJLPRDG-GHMZBOCLSA-N -1 0 315.370 -0.088 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)[C@H](C)C(=O)N(C)C)c1[O-] ZINC001485293946 1013093555 /nfs/dbraw/zinc/09/35/55/1013093555.db2.gz NOTPKYOQCNXQLF-PSASIEDQSA-N -1 0 311.386 -0.049 20 0 DBADRM NS(=O)(=O)c1cccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)c1 ZINC000230755765 949693723 /nfs/dbraw/zinc/69/37/23/949693723.db2.gz ZXVJYDIPKHJVLL-SECBINFHSA-N -1 0 313.291 -0.498 20 0 DBADRM NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1 ZINC000230755742 949695068 /nfs/dbraw/zinc/69/50/68/949695068.db2.gz QJHNYXYZLPMZSK-SECBINFHSA-N -1 0 313.291 -0.498 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000231017775 949745363 /nfs/dbraw/zinc/74/53/63/949745363.db2.gz HPGDSTFRVIRLJE-JTQLQIEISA-N -1 0 321.399 -0.178 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)[O-] ZINC000379149742 971605421 /nfs/dbraw/zinc/60/54/21/971605421.db2.gz BKTZNSHFGDNACL-LDYMZIIASA-N -1 0 309.274 -0.041 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCCCn2cc(CO)nn2)cn1 ZINC001595267946 949777962 /nfs/dbraw/zinc/77/79/62/949777962.db2.gz MNKPLKFZACZDGC-UHFFFAOYSA-N -1 0 306.282 -0.921 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCN([C@H]3CCOC3)CC2)cn1 ZINC001595268152 949784801 /nfs/dbraw/zinc/78/48/01/949784801.db2.gz RPCAVXXCQLMAML-JTQLQIEISA-N -1 0 306.322 -0.279 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1nc2nccc(C)n2n1)C(=O)[O-] ZINC000379166280 971608044 /nfs/dbraw/zinc/60/80/44/971608044.db2.gz JBHCJIAJUXCKHL-SSDOTTSWSA-N -1 0 307.266 -0.821 20 0 DBADRM CCCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H](OC)C(=O)[O-] ZINC001589659133 949837056 /nfs/dbraw/zinc/83/70/56/949837056.db2.gz FHHLPYXFEDRBDZ-DTWKUNHWSA-N -1 0 304.368 -0.144 20 0 DBADRM CCCN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H](OC)C(=O)[O-] ZINC001589659135 949837594 /nfs/dbraw/zinc/83/75/94/949837594.db2.gz FHHLPYXFEDRBDZ-RKDXNWHRSA-N -1 0 304.368 -0.144 20 0 DBADRM CCCN(C(=O)c1cc(C(=O)[O-])nn1C)[C@@H]1CC(=O)N(C)C1=O ZINC001589659143 949838726 /nfs/dbraw/zinc/83/87/26/949838726.db2.gz FWHXJNGJJUFYIH-SNVBAGLBSA-N -1 0 322.321 -0.272 20 0 DBADRM Cn1ncc(C(=O)NC[C@@](C)(O)C(=O)[O-])c1Br ZINC000379218791 971616247 /nfs/dbraw/zinc/61/62/47/971616247.db2.gz RQDPGAWQFPUPQU-SECBINFHSA-N -1 0 306.116 -0.252 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1cc3ncccn3n1)C2 ZINC001595279438 949961938 /nfs/dbraw/zinc/96/19/38/949961938.db2.gz XSNBZMYABKCIFX-YMTOWFKASA-N -1 0 302.290 -0.098 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001595282195 949981696 /nfs/dbraw/zinc/98/16/96/949981696.db2.gz HUDQHQOSNSZOIX-GXSJLCMTSA-N -1 0 323.349 -0.811 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001595282198 949982241 /nfs/dbraw/zinc/98/22/41/949982241.db2.gz HUDQHQOSNSZOIX-KOLCDFICSA-N -1 0 323.349 -0.811 20 0 DBADRM CCCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001589675003 949987736 /nfs/dbraw/zinc/98/77/36/949987736.db2.gz LTPGGJIWCGQGRS-GXSJLCMTSA-N -1 0 311.338 -0.019 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001595284809 949998699 /nfs/dbraw/zinc/99/86/99/949998699.db2.gz FTQOXMIASUKBPY-UWVGGRQHSA-N -1 0 305.290 -0.754 20 0 DBADRM O=C([O-])C(=O)COC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC001595284886 950000855 /nfs/dbraw/zinc/00/08/55/950000855.db2.gz HFEBFADDCXUIQC-JTQLQIEISA-N -1 0 319.269 -0.298 20 0 DBADRM O=C([O-])[C@@]1(NCC(=O)N2CC(=O)Nc3ccccc32)CCOC1 ZINC001595287624 950050647 /nfs/dbraw/zinc/05/06/47/950050647.db2.gz IRIRXMRRRUKUHW-OAHLLOKOSA-N -1 0 319.317 -0.195 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc(N2CCNC(=O)C2)ccn1 ZINC001595288203 950061177 /nfs/dbraw/zinc/06/11/77/950061177.db2.gz WEOAZJCGVHUZGX-AOOOYVTPSA-N -1 0 318.333 -0.389 20 0 DBADRM CCCS(=O)(=O)N1CCC(NC(=O)[C@H](OC)C(=O)[O-])CC1 ZINC001589685329 950070364 /nfs/dbraw/zinc/07/03/64/950070364.db2.gz ZLFUZIGHGQUKQQ-JTQLQIEISA-N -1 0 322.383 -0.594 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC3(CNC(=O)O3)CC2)CCOCC1 ZINC001595291879 950074155 /nfs/dbraw/zinc/07/41/55/950074155.db2.gz IUYFJUSFTSESMP-UHFFFAOYSA-N -1 0 312.322 -0.031 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)CC=CCC1 ZINC001595292007 950076129 /nfs/dbraw/zinc/07/61/29/950076129.db2.gz HCECAEFDIUWHQD-HFAKWTLXSA-N -1 0 308.334 -0.087 20 0 DBADRM CCC[C@@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(=O)OC ZINC001589686661 950084842 /nfs/dbraw/zinc/08/48/42/950084842.db2.gz SLBHWMUGQPXLSY-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM O=C([O-])[C@H]1CCCCN1Cc1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001595293361 950092104 /nfs/dbraw/zinc/09/21/04/950092104.db2.gz SAPYDCCYZJEINA-GHMZBOCLSA-N -1 0 309.326 -0.174 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CCC(N3CCNC3=O)CC2)CCCO1 ZINC001595294219 950101431 /nfs/dbraw/zinc/10/14/31/950101431.db2.gz YAXWKFSDNLMNQF-AWEZNQCLSA-N -1 0 311.338 -0.364 20 0 DBADRM O=C([O-])C1(C(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)CCOCC1 ZINC001595294767 950106395 /nfs/dbraw/zinc/10/63/95/950106395.db2.gz CIOYVMXCWVUQOI-VHSXEESVSA-N -1 0 312.322 -0.175 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN1Cc1nnnn1Cc1ccccc1 ZINC000379475832 971640073 /nfs/dbraw/zinc/64/00/73/971640073.db2.gz QQQHZUVZTKULJD-NWDGAFQWSA-N -1 0 303.322 -0.259 20 0 DBADRM CCN(C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)[C@H]1CCNC1=O ZINC001589696855 950173163 /nfs/dbraw/zinc/17/31/63/950173163.db2.gz DVJNKBRKCBEIID-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN(C(=O)CN1CCC[C@@H](C(=O)OC)C1=O)[C@H](C)C(=O)[O-] ZINC001589699348 950216072 /nfs/dbraw/zinc/21/60/72/950216072.db2.gz JBSRVRKHKWUSMA-NXEZZACHSA-N -1 0 314.338 -0.280 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574743107 950314174 /nfs/dbraw/zinc/31/41/74/950314174.db2.gz RRHCGKMCLXCJQC-GUBZILKMSA-N -1 0 316.369 -0.007 20 0 DBADRM CC(C)(C)NC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001573855192 950356245 /nfs/dbraw/zinc/35/62/45/950356245.db2.gz LHLAUNCGCOCENG-UHFFFAOYSA-N -1 0 307.314 -0.566 20 0 DBADRM CCN(CCO)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001589734157 950519569 /nfs/dbraw/zinc/51/95/69/950519569.db2.gz RZNZXUKFDYPEFN-UHFFFAOYSA-N -1 0 300.355 -0.069 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H](C)C(=O)[O-])CCN2C1=O ZINC001589740414 950577445 /nfs/dbraw/zinc/57/74/45/950577445.db2.gz SOCKIYJQUQDTNR-IUCAKERBSA-N -1 0 312.326 -0.615 20 0 DBADRM CCN1C(=O)[C@@H]2CN(Cc3cc(C(=O)[O-])nn3C)CCN2C1=O ZINC001589740455 950578819 /nfs/dbraw/zinc/57/88/19/950578819.db2.gz UKQCAKZXHGGQKL-NSHDSACASA-N -1 0 321.337 -0.413 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCCNC(=O)OC)C1 ZINC000308160139 950635628 /nfs/dbraw/zinc/63/56/28/950635628.db2.gz XWQVRLGHKFPPMP-LBPRGKRZSA-N -1 0 303.315 -0.525 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)CC1=O ZINC001589744332 950648582 /nfs/dbraw/zinc/64/85/82/950648582.db2.gz QFHDAMQPEHBZMC-UHFFFAOYSA-N -1 0 311.338 -1.000 20 0 DBADRM C[C@H]1COCC[C@@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000380195656 971683844 /nfs/dbraw/zinc/68/38/44/971683844.db2.gz DDEGXNBGJGVAAF-WPRPVWTQSA-N -1 0 303.340 -0.329 20 0 DBADRM CCN1OC[C@@H](n2cc(CN3CCC[C@@H]3C(=O)[O-])nn2)C1=O ZINC001589882109 950690558 /nfs/dbraw/zinc/69/05/58/950690558.db2.gz IRASBTNZEZGQJT-GHMZBOCLSA-N -1 0 309.326 -0.338 20 0 DBADRM CCN1CCOC[C@H]1C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001589882348 950693974 /nfs/dbraw/zinc/69/39/74/950693974.db2.gz OAHYJUIVBNDDTO-FZMZJTMJSA-N -1 0 300.355 -0.343 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC001589883710 950704088 /nfs/dbraw/zinc/70/40/88/950704088.db2.gz KWSCVYFNEGFLKW-NEPJUHHUSA-N -1 0 311.382 -0.232 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1 ZINC001590037109 950751310 /nfs/dbraw/zinc/75/13/10/950751310.db2.gz FUDRQPFDCFJXQG-OTYXRUKQSA-N -1 0 312.322 -0.669 20 0 DBADRM CCOC(=O)[C@](C)(O)CNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001590058523 950778816 /nfs/dbraw/zinc/77/88/16/950778816.db2.gz ODZJRJMGYGMMDT-GFCCVEGCSA-N -1 0 314.298 -0.597 20 0 DBADRM CCOC(=O)[C@](C)(O)CN1CCO[C@](COC)(C(=O)[O-])C1 ZINC001590058816 950780430 /nfs/dbraw/zinc/78/04/30/950780430.db2.gz RBYYLEQWMFJLQA-CHWSQXEVSA-N -1 0 305.327 -0.898 20 0 DBADRM CCOC(=O)[C@@H](COC)N(C(=O)[C@@H](OC)C(=O)[O-])C1CC1 ZINC001590128765 950789153 /nfs/dbraw/zinc/78/91/53/950789153.db2.gz AUHOLXNTHRCOEH-NXEZZACHSA-N -1 0 303.311 -0.345 20 0 DBADRM CCOC(=O)[C@@H](CSC)NC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001590129254 950798583 /nfs/dbraw/zinc/79/85/83/950798583.db2.gz KDKXNOZCWKXSPV-HTQZYQBOSA-N -1 0 304.324 -0.373 20 0 DBADRM CCOC(=O)[C@H](CC1CC1)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001590129977 950807915 /nfs/dbraw/zinc/80/79/15/950807915.db2.gz UGALFKRJCJIYHR-VIFPVBQESA-N -1 0 310.310 -0.176 20 0 DBADRM CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)COCC(=O)[O-] ZINC001590130098 950809657 /nfs/dbraw/zinc/80/96/57/950809657.db2.gz VASYILURZOGFBT-ZJUUUORDSA-N -1 0 303.311 -0.295 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@@H](C)C(=O)[O-])[C@H](O)c1ccncc1 ZINC001590137130 950817925 /nfs/dbraw/zinc/81/79/25/950817925.db2.gz DDECTNFJCJHFRI-FBIMIBRVSA-N -1 0 310.306 -0.116 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@H](C)C(=O)[O-])[C@H](O)c1cccnc1 ZINC001590137798 950826296 /nfs/dbraw/zinc/82/62/96/950826296.db2.gz MUFGVUSMIKOINI-JMJZKYOTSA-N -1 0 310.306 -0.116 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@@H](O)C2CCC2)CC1 ZINC000314905864 950832607 /nfs/dbraw/zinc/83/26/07/950832607.db2.gz FTDFDDNRNNTWSW-LLVKDONJSA-N -1 0 306.384 -0.222 20 0 DBADRM CCOC(=O)[C@@]1(C)CN(CCS(=O)(=O)CC(=O)[O-])CCO1 ZINC001590177011 950839993 /nfs/dbraw/zinc/83/99/93/950839993.db2.gz DLYVHZILDZLJKO-GFCCVEGCSA-N -1 0 323.367 -0.860 20 0 DBADRM CCOC(=O)C1(S(C)(=O)=O)CCN(CCC(=O)[O-])CC1 ZINC001590178663 950856914 /nfs/dbraw/zinc/85/69/14/950856914.db2.gz JYTCSCIIFVZBGE-UHFFFAOYSA-N -1 0 307.368 -0.097 20 0 DBADRM CCOC(=O)[C@]1(C)CN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001590179309 950864401 /nfs/dbraw/zinc/86/44/01/950864401.db2.gz WSQHQNKDZMXBST-RNCFNFMXSA-N -1 0 314.294 -0.604 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)C1CC1 ZINC000380427240 971698177 /nfs/dbraw/zinc/69/81/77/971698177.db2.gz JGQMCTIZNROAGL-NSHDSACASA-N -1 0 303.340 -0.593 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])CCC1 ZINC001590179958 950874819 /nfs/dbraw/zinc/87/48/19/950874819.db2.gz VWIZPOYQFGIWDV-VIFPVBQESA-N -1 0 321.351 -0.413 20 0 DBADRM O=C([O-])CC1(C(=O)NCCc2nnc3n2CCNC3=O)CCC1 ZINC001594974125 950902429 /nfs/dbraw/zinc/90/24/29/950902429.db2.gz PFJNHFFOZDXCMM-UHFFFAOYSA-N -1 0 321.337 -0.675 20 0 DBADRM O=C([O-])CC1(C(=O)NCc2nnnn2CC2CC2)CCOCC1 ZINC001594976180 950913985 /nfs/dbraw/zinc/91/39/85/950913985.db2.gz COUWMEKTLKZWFM-UHFFFAOYSA-N -1 0 323.353 -0.029 20 0 DBADRM O=C([O-])CC1(C(=O)NCc2nc(O)cc(=O)[nH]2)CCOCC1 ZINC001594976256 950916371 /nfs/dbraw/zinc/91/63/71/950916371.db2.gz IUNRGHCDWISUCO-UHFFFAOYSA-N -1 0 311.294 -0.225 20 0 DBADRM O=C([O-])CC1(C(=O)NCc2nnnn2C2CC2)CCOCC1 ZINC001594976340 950916932 /nfs/dbraw/zinc/91/69/32/950916932.db2.gz NCKBPTIMYJSRQL-UHFFFAOYSA-N -1 0 309.326 -0.104 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCCn2ccnn2)CCOCC1 ZINC000317960854 950919820 /nfs/dbraw/zinc/91/98/20/950919820.db2.gz ISHKMDRQCQXIJJ-UHFFFAOYSA-N -1 0 311.342 -0.151 20 0 DBADRM O=C([O-])CC1(C(=O)OCCN2C(=O)CNC2=O)CCOCC1 ZINC001594977689 950940403 /nfs/dbraw/zinc/94/04/03/950940403.db2.gz CYPWSCINIHKTKL-UHFFFAOYSA-N -1 0 314.294 -0.647 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)CC[C@H]1C(=O)[O-] ZINC000319079960 950946782 /nfs/dbraw/zinc/94/67/82/950946782.db2.gz BKOAHPHIPDCAPN-OPRDCNLKSA-N -1 0 311.338 -0.114 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2c(C)c(C)n[nH]c2=O)C1 ZINC000319163799 950951274 /nfs/dbraw/zinc/95/12/74/950951274.db2.gz GGXROSGVORNUGC-CQSZACIVSA-N -1 0 309.322 -0.050 20 0 DBADRM CCOC(=O)COCCNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001590648322 950960746 /nfs/dbraw/zinc/96/07/46/950960746.db2.gz GPWKRVSUQYSAMD-WDEREUQCSA-N -1 0 317.338 -0.048 20 0 DBADRM O=C([O-])CC1(C(=O)OCCN2C(=O)CCC2=O)CCOCC1 ZINC001594978835 950962868 /nfs/dbraw/zinc/96/28/68/950962868.db2.gz XXKRWZPIEVRIDQ-UHFFFAOYSA-N -1 0 313.306 -0.050 20 0 DBADRM O=C([O-])CC1(NC(=O)Cn2ccc(=O)[nH]c2=O)CCOCC1 ZINC001594979598 950973666 /nfs/dbraw/zinc/97/36/66/950973666.db2.gz KWURXCNVPSIIGJ-UHFFFAOYSA-N -1 0 311.294 -0.911 20 0 DBADRM CCOC(=O)N1CC[C@@H](NC(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC001590873076 951001489 /nfs/dbraw/zinc/00/14/89/951001489.db2.gz DXINCEABHNGQMO-SECBINFHSA-N -1 0 315.326 -0.734 20 0 DBADRM CCOC(=O)N1C[C@H](NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])[C@@H](CO)C1 ZINC001590873744 951008419 /nfs/dbraw/zinc/00/84/19/951008419.db2.gz PWSMKQSHKQXPJQ-DBIOUOCHSA-N -1 0 314.338 -0.337 20 0 DBADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001594984822 951016285 /nfs/dbraw/zinc/01/62/85/951016285.db2.gz ZVDMIJODTXWDNG-VXGBXAGGSA-N -1 0 311.338 -0.294 20 0 DBADRM CCOC(=O)N1CCCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001590884225 951016610 /nfs/dbraw/zinc/01/66/10/951016610.db2.gz PVRBEFNIBPBIEB-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](CO)C2)C1 ZINC001594987947 951030544 /nfs/dbraw/zinc/03/05/44/951030544.db2.gz PTBPMRYNZOGFOQ-NEPJUHHUSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)C1 ZINC001594988190 951034384 /nfs/dbraw/zinc/03/43/84/951034384.db2.gz XHTSCUJRBPQUTE-ZIBATOQPSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)Cc2ccccc21 ZINC000324326306 951065826 /nfs/dbraw/zinc/06/58/26/951065826.db2.gz ZJKHWBXHKZSUDD-QWRGUYRKSA-N -1 0 317.301 -0.205 20 0 DBADRM O=C([O-])CCC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001594996480 951085233 /nfs/dbraw/zinc/08/52/33/951085233.db2.gz UPRIUSHLTQWOSB-BXKDBHETSA-N -1 0 305.352 -0.296 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000380718352 971714822 /nfs/dbraw/zinc/71/48/22/971714822.db2.gz JBASSRQSDNZUPG-UHFFFAOYSA-N -1 0 301.324 -0.570 20 0 DBADRM CCOC(=O)c1cn(CCNC(=O)[C@H]2CC(C(=O)[O-])=NO2)cn1 ZINC001591196847 951091707 /nfs/dbraw/zinc/09/17/07/951091707.db2.gz CMGQRXVEACCCCD-SNVBAGLBSA-N -1 0 324.293 -0.595 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NC[C@H]2CCS(=O)(=O)C2)CO1 ZINC001595001159 951127234 /nfs/dbraw/zinc/12/72/34/951127234.db2.gz KFJQNEFSJAODBF-OUAUKWLOSA-N -1 0 319.379 -0.193 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)N2CCS(=O)(=O)CCO2)CO1 ZINC001595001895 951140048 /nfs/dbraw/zinc/14/00/48/951140048.db2.gz CSZITOZFZNKYQI-UWVGGRQHSA-N -1 0 321.351 -0.555 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)N2CCS(=O)(=O)CCO2)CO1 ZINC001595001900 951140339 /nfs/dbraw/zinc/14/03/39/951140339.db2.gz CSZITOZFZNKYQI-ZJUUUORDSA-N -1 0 321.351 -0.555 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NCCN2CCOCC2)CO1 ZINC001595002079 951142762 /nfs/dbraw/zinc/14/27/62/951142762.db2.gz RNXUOIXHTUFACZ-VXGBXAGGSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NCCNC(=O)c2ccn[nH]2)CO1 ZINC001595002558 951151250 /nfs/dbraw/zinc/15/12/50/951151250.db2.gz VZEDRQZDTXVILR-VHSXEESVSA-N -1 0 324.337 -0.474 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)CO1 ZINC001595002654 951152765 /nfs/dbraw/zinc/15/27/65/951152765.db2.gz JKDORZYFOFZTFH-WBGSPAEQSA-N -1 0 301.364 -0.012 20 0 DBADRM CCOC(C)(C)CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001591531826 951160853 /nfs/dbraw/zinc/16/08/53/951160853.db2.gz ZMYCRHHPZGBQDI-UHFFFAOYSA-N -1 0 312.326 -0.163 20 0 DBADRM C[C@@H](CNC(=O)c1ccc[nH]1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575028414 951172627 /nfs/dbraw/zinc/17/26/27/951172627.db2.gz WPKUZFRAHMBIJA-QMMMGPOBSA-N -1 0 313.325 -0.363 20 0 DBADRM COc1ccccc1S(=O)(=O)CCS(=O)(=O)CC(=O)[O-] ZINC000380278763 951184226 /nfs/dbraw/zinc/18/42/26/951184226.db2.gz ZQCABVJOZGPHQX-UHFFFAOYSA-N -1 0 322.360 -0.032 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NCc2nc(O)cc(=O)[nH]2)CO1 ZINC001595004893 951185318 /nfs/dbraw/zinc/18/53/18/951185318.db2.gz LLRKNOWCWHBICT-HTQZYQBOSA-N -1 0 311.294 -0.226 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000380641207 951191373 /nfs/dbraw/zinc/19/13/73/951191373.db2.gz NCLKCDHDLLKEMM-BDAKNGLRSA-N -1 0 307.372 -0.392 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)OCC(=O)N2CCCC2=O)CO1 ZINC001595007393 951221512 /nfs/dbraw/zinc/22/15/12/951221512.db2.gz VDLGFZNVYAWPDO-VHSXEESVSA-N -1 0 313.306 -0.052 20 0 DBADRM CCOCCN1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001591876655 951226994 /nfs/dbraw/zinc/22/69/94/951226994.db2.gz AETBCIWCHOMMII-UHFFFAOYSA-N -1 0 308.338 -0.031 20 0 DBADRM CCOCCCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001591878697 951240870 /nfs/dbraw/zinc/24/08/70/951240870.db2.gz WWGJMUYPFQBWFY-UHFFFAOYSA-N -1 0 307.368 -0.191 20 0 DBADRM CCOCCNC(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001591925771 951242264 /nfs/dbraw/zinc/24/22/64/951242264.db2.gz CKPGUXHTRNCMIE-ZDUSSCGKSA-N -1 0 302.327 -0.911 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)Nc1n[nH]cc1C(=O)[O-] ZINC001591977410 951252300 /nfs/dbraw/zinc/25/23/00/951252300.db2.gz QCZYZTFMHVVSNM-UHFFFAOYSA-N -1 0 320.327 -0.998 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001591997883 951273531 /nfs/dbraw/zinc/27/35/31/951273531.db2.gz IAABEGVGAVLFPY-GMTAPVOTSA-N -1 0 314.338 -0.770 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N(CCOC)CCC(=O)[O-] ZINC001591998767 951282452 /nfs/dbraw/zinc/28/24/52/951282452.db2.gz XMABVQPJIPBRAU-GHMZBOCLSA-N -1 0 304.343 -0.077 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CCC(O)(C(N)=O)CC1)C(=O)[O-] ZINC000386811460 951304868 /nfs/dbraw/zinc/30/48/68/951304868.db2.gz PTWJTWBFWPFIKG-VIFPVBQESA-N -1 0 301.343 -0.635 20 0 DBADRM C[C@@H](CNC(=O)c1ccon1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575037889 951311238 /nfs/dbraw/zinc/31/12/38/951311238.db2.gz DWHDRWZOGXUELJ-ZETCQYMHSA-N -1 0 315.297 -0.703 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCSC[C@H]2CO)CC1 ZINC000388202841 951327947 /nfs/dbraw/zinc/32/79/47/951327947.db2.gz OYONFTIUYDXTSF-SNVBAGLBSA-N -1 0 324.424 -0.563 20 0 DBADRM O=C([O-])CCCC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001595025380 951345503 /nfs/dbraw/zinc/34/55/03/951345503.db2.gz KPTQQBDEXBCNGL-LBPRGKRZSA-N -1 0 305.352 -0.343 20 0 DBADRM CCOc1nnc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])s1 ZINC001593123691 951412418 /nfs/dbraw/zinc/41/24/18/951412418.db2.gz XONAGPFWPJWCOE-SSDOTTSWSA-N -1 0 321.380 -0.380 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)C1(C(=O)[O-])CCOCC1 ZINC001593277605 951419155 /nfs/dbraw/zinc/41/91/55/951419155.db2.gz NIUHARCJIGDFCG-VIFPVBQESA-N -1 0 307.368 -0.193 20 0 DBADRM O=C([O-])CCCCNC(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001595043169 951433735 /nfs/dbraw/zinc/43/37/35/951433735.db2.gz KCQSEIUHORZZCL-UHFFFAOYSA-N -1 0 308.298 -0.528 20 0 DBADRM C[S@@](=O)C1(CNC(=O)c2cn(CC(=O)[O-])nn2)CCC1 ZINC000393769574 951440008 /nfs/dbraw/zinc/44/00/08/951440008.db2.gz WODKQRRYXFYEHQ-HXUWFJFHSA-N -1 0 300.340 -0.606 20 0 DBADRM O=C([O-])CCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001595049632 951462537 /nfs/dbraw/zinc/46/25/37/951462537.db2.gz BRMIWWBRFWOAQY-SMDDNHRTSA-N -1 0 315.370 -0.624 20 0 DBADRM O=C([O-])CS(=O)(=O)CCn1cnc2c(c1=O)CCCC2 ZINC000395513729 951468479 /nfs/dbraw/zinc/46/84/79/951468479.db2.gz ZDUOQDJUJUVYFC-UHFFFAOYSA-N -1 0 300.336 -0.379 20 0 DBADRM C[C@@H](C(=O)NCc1ccco1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000396631947 951480550 /nfs/dbraw/zinc/48/05/50/951480550.db2.gz DHCWDAORNCSJFK-JTQLQIEISA-N -1 0 309.322 -0.487 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2CCNC(=O)CC2)CC1 ZINC000396629867 951480717 /nfs/dbraw/zinc/48/07/17/951480717.db2.gz CYPSVKFQFXQXLZ-JTQLQIEISA-N -1 0 319.383 -0.714 20 0 DBADRM O=C([O-])CCN(C(=O)c1cnn(CCO)c1)C1CCOCC1 ZINC001595055221 951486333 /nfs/dbraw/zinc/48/63/33/951486333.db2.gz PNDFWWBGBLOPLK-UHFFFAOYSA-N -1 0 311.338 -0.029 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CCc2ccccc2NC1=O ZINC001595055698 951494872 /nfs/dbraw/zinc/49/48/72/951494872.db2.gz CQFLLZXVOBBQAX-NSHDSACASA-N -1 0 319.317 -0.353 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC[C@@H]1COc2ccccc2C1 ZINC001595056134 951501990 /nfs/dbraw/zinc/50/19/90/951501990.db2.gz PCECMMVAUYACSN-SNVBAGLBSA-N -1 0 306.318 -0.055 20 0 DBADRM O=C([O-])CCNC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC001595059375 951514255 /nfs/dbraw/zinc/51/42/55/951514255.db2.gz UBXZWZXALYGXLJ-UHFFFAOYSA-N -1 0 319.383 -0.329 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC000397367595 951551771 /nfs/dbraw/zinc/55/17/71/951551771.db2.gz DGEQSJDBELZZJU-NXEZZACHSA-N -1 0 304.368 -0.363 20 0 DBADRM O=C([O-])CN(C(=O)Cn1ccc(=O)[nH]c1=O)C1CCOCC1 ZINC001595067784 951576512 /nfs/dbraw/zinc/57/65/12/951576512.db2.gz QVTPAGVGNMGGAH-UHFFFAOYSA-N -1 0 311.294 -0.959 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000398827888 951611901 /nfs/dbraw/zinc/61/19/01/951611901.db2.gz GUZYBYOFNLZYGZ-OUAUKWLOSA-N -1 0 318.395 -0.668 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCNS(C)(=O)=O)C1 ZINC000398838869 951614192 /nfs/dbraw/zinc/61/41/92/951614192.db2.gz OCOFVKJFPMONTF-DTWKUNHWSA-N -1 0 307.372 -0.712 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@H]2CCC(=O)N(C)C2=O)C1 ZINC000398994653 951626199 /nfs/dbraw/zinc/62/61/99/951626199.db2.gz JMUJXRWBJGKNCC-UTLUCORTSA-N -1 0 311.338 -0.114 20 0 DBADRM O=C([O-])CN1CC[C@H]([N@@H+]2CCC[C@@H]2CN2CCOCC2)C1=O ZINC001595074913 951640682 /nfs/dbraw/zinc/64/06/82/951640682.db2.gz ZZTHZAQGNZRNIG-OLZOCXBDSA-N -1 0 311.382 -0.532 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC000400302565 951648938 /nfs/dbraw/zinc/64/89/38/951648938.db2.gz PYATZFSKNCJFPK-UTLUCORTSA-N -1 0 319.383 -0.427 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)c2cc3n(n2)CCCO3)C1=O ZINC001595081243 951680891 /nfs/dbraw/zinc/68/08/91/951680891.db2.gz HHYFWWOVUXYEDI-VIFPVBQESA-N -1 0 309.278 -0.492 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)[C@H]2CCc3n[nH]cc3C2)C1=O ZINC001595082178 951693186 /nfs/dbraw/zinc/69/31/86/951693186.db2.gz ZPHAPOLCIUBQSZ-GZMMTYOYSA-N -1 0 307.306 -0.257 20 0 DBADRM O=C([O-])CN1CC[C@@H](n2cc(Cn3ccccc3=O)nn2)C1=O ZINC001595082450 951697676 /nfs/dbraw/zinc/69/76/76/951697676.db2.gz RGOXXANCXILMOP-LLVKDONJSA-N -1 0 317.305 -0.654 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCOC[C@@H]2C2CC2)C1=O ZINC001595082607 951699942 /nfs/dbraw/zinc/69/99/42/951699942.db2.gz GVVRXKPGDYUHDN-VXGBXAGGSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1=O ZINC001595083653 951711968 /nfs/dbraw/zinc/71/19/68/951711968.db2.gz MBIMSIYLOBJYAU-MNOVXSKESA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1=O ZINC001595083925 951712992 /nfs/dbraw/zinc/71/29/92/951712992.db2.gz NFSAWEPMHDYBNF-YFKTTZPYSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC(OC(F)F)C2)C1=O ZINC001595086011 951728473 /nfs/dbraw/zinc/72/84/73/951728473.db2.gz GMMUQWGEVIMSFQ-QMMMGPOBSA-N -1 0 306.265 -0.240 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@H](O)[C@H](F)C2)C1=O ZINC001595086997 951740470 /nfs/dbraw/zinc/74/04/70/951740470.db2.gz PRGPUTZYOMXJQB-AEJSXWLSSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC([C@H]3CCOC3)C2)C1=O ZINC001595087165 951742628 /nfs/dbraw/zinc/74/26/28/951742628.db2.gz QUXDJOYRCBAUFG-JQWIXIFHSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)O[C@H]2CC(=O)N(C3CC3)C2)C1=O ZINC001595087718 951749115 /nfs/dbraw/zinc/74/91/15/951749115.db2.gz RBDDSVIMVOWJMP-QWRGUYRKSA-N -1 0 324.333 -0.384 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC[C@@H](c3nnc[nH]3)C2)C1=O ZINC001595087816 951750300 /nfs/dbraw/zinc/75/03/00/951750300.db2.gz YTIARCWQSXBKGG-NXEZZACHSA-N -1 0 321.337 -0.556 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)OCCO[C@H]2CCOC2)C1=O ZINC001595088111 951755342 /nfs/dbraw/zinc/75/53/42/951755342.db2.gz YUWONMSXMZIWJY-WDEREUQCSA-N -1 0 315.322 -0.342 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1=O ZINC001595089435 951757941 /nfs/dbraw/zinc/75/79/41/951757941.db2.gz DMPHIDZQDXMQGX-ZJUUUORDSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1=O ZINC001595090653 951769880 /nfs/dbraw/zinc/76/98/80/951769880.db2.gz QTJMYNUZEGIWPZ-VHSXEESVSA-N -1 0 311.338 -0.763 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)N(CCO)C2CC2)C1=O ZINC001595090703 951770326 /nfs/dbraw/zinc/77/03/26/951770326.db2.gz RFXYIHHXJJGEEJ-LLVKDONJSA-N -1 0 313.354 -0.382 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N2CCC[C@H](O)C2)C1=O ZINC001595090862 951772058 /nfs/dbraw/zinc/77/20/58/951772058.db2.gz LDDMSTVDVLCQKI-QWRGUYRKSA-N -1 0 313.354 -0.382 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)[C@H](O)c2ccccn2)C1=O ZINC001595092336 951791522 /nfs/dbraw/zinc/79/15/22/951791522.db2.gz PDMAFWPUBSIDNO-DGCLKSJQSA-N -1 0 321.333 -0.303 20 0 DBADRM O=C([O-])CN1CCCC[C@H](N2C(=O)N[C@H](C3CC3)C2=O)C1=O ZINC001595092511 951793895 /nfs/dbraw/zinc/79/38/95/951793895.db2.gz WADYZFIOZXHIAW-GXSJLCMTSA-N -1 0 309.322 -0.218 20 0 DBADRM O=C([O-])CN1CCCC[C@H](N2C(=O)N[C@H](CF)C2=O)C1=O ZINC001595092535 951794007 /nfs/dbraw/zinc/79/40/07/951794007.db2.gz WTYFGYMEYJSGBR-SFYZADRCSA-N -1 0 301.274 -0.658 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)N[C@]23C[C@H]2COC3)C1=O ZINC001595093756 951799826 /nfs/dbraw/zinc/79/98/26/951799826.db2.gz KUTVKAKUCAVKGF-RBZYPMLTSA-N -1 0 311.338 -0.460 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)c2ncccc2O)C1=O ZINC001595097320 951829589 /nfs/dbraw/zinc/82/95/89/951829589.db2.gz YJAAERATRKLQQC-VIFPVBQESA-N -1 0 307.306 -0.017 20 0 DBADRM O=C([O-])CNC(=O)CN(CCO)Cc1cccnc1Cl ZINC001595097483 951832367 /nfs/dbraw/zinc/83/23/67/951832367.db2.gz MSVJXQWTMYBSPV-UHFFFAOYSA-N -1 0 301.730 -0.270 20 0 DBADRM O=C([O-])CNC(=O)CN1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC001595098370 951838101 /nfs/dbraw/zinc/83/81/01/951838101.db2.gz HTQORZVFZPLAMW-ZDUSSCGKSA-N -1 0 319.361 -0.380 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)C[C@H]1COc2ccccc2O1 ZINC001595098845 951845023 /nfs/dbraw/zinc/84/50/23/951845023.db2.gz VKTJUBJOHXZCTD-VIFPVBQESA-N -1 0 309.274 -0.040 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cccc2c1NC(=O)CO2 ZINC001595099973 951850462 /nfs/dbraw/zinc/85/04/62/951850462.db2.gz HHQOHEVGTPLPBL-UHFFFAOYSA-N -1 0 308.246 -0.625 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cnc(C(F)(F)F)nc1 ZINC001595100351 951851634 /nfs/dbraw/zinc/85/16/34/951851634.db2.gz SQWCIIZAHOPVQK-UHFFFAOYSA-N -1 0 307.184 -0.147 20 0 DBADRM O=C([O-])COCC(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC001595108264 951899015 /nfs/dbraw/zinc/89/90/15/951899015.db2.gz PKFLNROMTCEYDS-LLVKDONJSA-N -1 0 313.331 -0.127 20 0 DBADRM O=C([O-])COCC(=O)OC[C@H]1CN(c2ncccn2)CCO1 ZINC001595111502 951909353 /nfs/dbraw/zinc/90/93/53/951909353.db2.gz YWVHLAKWZFGADJ-SNVBAGLBSA-N -1 0 311.294 -0.674 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CC[C@@H](c2ccco2)C1 ZINC001595112086 951910925 /nfs/dbraw/zinc/91/09/25/951910925.db2.gz IOZVEVZNESIJOI-SNVBAGLBSA-N -1 0 310.306 -0.187 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001595112152 951911780 /nfs/dbraw/zinc/91/17/80/951911780.db2.gz LYPIEVPXYUUMTN-GFCCVEGCSA-N -1 0 321.333 -0.385 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCC[C@@H]1c1ccccn1 ZINC001595112335 951913084 /nfs/dbraw/zinc/91/30/84/951913084.db2.gz QJDOIWVDJBOTMY-GFCCVEGCSA-N -1 0 321.333 -0.038 20 0 DBADRM O=C([O-])COCCOCCNC(=O)[C@@H]1CCc2cncn2C1 ZINC001595113141 951922292 /nfs/dbraw/zinc/92/22/92/951922292.db2.gz YKYHEEROXWKFSM-LLVKDONJSA-N -1 0 311.338 -0.321 20 0 DBADRM O=C([O-])COCCNC(=O)NC1(CO)Cc2ccccc2C1 ZINC001595113869 951930901 /nfs/dbraw/zinc/93/09/01/951930901.db2.gz QBUFKETWAACBIG-UHFFFAOYSA-N -1 0 308.334 -0.083 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1cn(C2CCC2)nn1 ZINC001595114808 951939462 /nfs/dbraw/zinc/93/94/62/951939462.db2.gz LYBKJGQPGGMDBZ-UHFFFAOYSA-N -1 0 312.326 -0.149 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001595115257 951943317 /nfs/dbraw/zinc/94/33/17/951943317.db2.gz YTHKIFNOFNROIX-UHFFFAOYSA-N -1 0 324.293 -0.489 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1cnn2cccnc12 ZINC001595115870 951944251 /nfs/dbraw/zinc/94/42/51/951944251.db2.gz CIOYYOYJNCRXHB-UHFFFAOYSA-N -1 0 308.294 -0.423 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1cncc(Cl)n1 ZINC001595116862 951948310 /nfs/dbraw/zinc/94/83/10/951948310.db2.gz SIXOMFQFZPLYGN-UHFFFAOYSA-N -1 0 303.702 -0.022 20 0 DBADRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N1CC(C(N)=O)C1 ZINC000381958403 971791172 /nfs/dbraw/zinc/79/11/72/971791172.db2.gz BKZISHCOWXWADB-UHFFFAOYSA-N -1 0 316.310 -0.062 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N2CCN(C(=O)CO)CC2)c1 ZINC001595120803 951974440 /nfs/dbraw/zinc/97/44/40/951974440.db2.gz LCTNKFOEPNGMAR-UHFFFAOYSA-N -1 0 322.317 -0.573 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001595123612 951988772 /nfs/dbraw/zinc/98/87/72/951988772.db2.gz KGTKIHJVBOTZKP-SNVBAGLBSA-N -1 0 319.383 -0.978 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCc2n[nH]c(=O)cc2C1 ZINC001595123747 951990089 /nfs/dbraw/zinc/99/00/89/951990089.db2.gz BTDDISSONFGRPY-UHFFFAOYSA-N -1 0 301.324 -0.960 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC2(CC1)C[C@@H](O)CCO2 ZINC001595123948 951993174 /nfs/dbraw/zinc/99/31/74/951993174.db2.gz UPXQPGVEQJOTON-NSHDSACASA-N -1 0 321.395 -0.508 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC001595123990 951993435 /nfs/dbraw/zinc/99/34/35/951993435.db2.gz IAOZFTTYQPKEPF-NEPJUHHUSA-N -1 0 320.411 -0.983 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCN(C[C@@H]2CCOC2)CC1 ZINC001595123932 951993672 /nfs/dbraw/zinc/99/36/72/951993672.db2.gz HEOOLQMFCUFTHD-LBPRGKRZSA-N -1 0 320.411 -0.860 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCOC[C@H]1C[C@H]1CCCO1 ZINC001595124490 951999851 /nfs/dbraw/zinc/99/98/51/951999851.db2.gz SWZUHVAYYDVTOY-VXGBXAGGSA-N -1 0 321.395 -0.244 20 0 DBADRM O=C([O-])CS(=O)(=O)CCNc1cccc([C@@H](O)CO)c1 ZINC001595124811 952004697 /nfs/dbraw/zinc/00/46/97/952004697.db2.gz HFAWTGHMDCXHON-NSHDSACASA-N -1 0 303.336 -0.376 20 0 DBADRM O=C([O-])CS(=O)(=O)CCS(=O)(=O)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001595124856 952005619 /nfs/dbraw/zinc/00/56/19/952005619.db2.gz HQUKNBAFBYBLFZ-ILWJIGKKSA-N -1 0 310.393 -0.053 20 0 DBADRM O=C([O-])CSCC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC001595126407 952015602 /nfs/dbraw/zinc/01/56/02/952015602.db2.gz WBSVRSWIVNYPRO-BDAKNGLRSA-N -1 0 307.393 -0.018 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N2C[C@H]3C[C@@]3(O)C2)c1 ZINC001595130858 952032970 /nfs/dbraw/zinc/03/29/70/952032970.db2.gz VETJDYAYWWQPQQ-MEBBXXQBSA-N -1 0 304.302 -0.155 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N2CCNC(=O)CC2)c1 ZINC001595130980 952034076 /nfs/dbraw/zinc/03/40/76/952034076.db2.gz ZUTJLTXFXAVFFA-UHFFFAOYSA-N -1 0 319.317 -0.399 20 0 DBADRM O=C([O-])Cn1cc(-c2noc([C@H]3COCCO3)n2)c(=O)[nH]c1=O ZINC001595140191 952073811 /nfs/dbraw/zinc/07/38/11/952073811.db2.gz PFTHTECUBMTMNL-SSDOTTSWSA-N -1 0 324.249 -0.829 20 0 DBADRM O=C([O-])Cn1cc(-c2noc([C@@H]3COCCO3)n2)c(=O)[nH]c1=O ZINC001595140192 952074330 /nfs/dbraw/zinc/07/43/30/952074330.db2.gz PFTHTECUBMTMNL-ZETCQYMHSA-N -1 0 324.249 -0.829 20 0 DBADRM O=C([O-])Cn1cc(-c2noc(COC(F)F)n2)c(=O)[nH]c1=O ZINC001595140373 952074963 /nfs/dbraw/zinc/07/49/63/952074963.db2.gz SWFPXRPTRBSNFA-UHFFFAOYSA-N -1 0 318.192 -0.177 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC2(CO)CCSCC2)nn1 ZINC001595141480 952081683 /nfs/dbraw/zinc/08/16/83/952081683.db2.gz FLQPGLAVTAXIIQ-UHFFFAOYSA-N -1 0 300.340 -0.649 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@H]2CCCCC23OCCO3)nn1 ZINC001595141562 952082383 /nfs/dbraw/zinc/08/23/83/952082383.db2.gz HFIYVXJKFCHMSA-JTQLQIEISA-N -1 0 310.310 -0.222 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@H]2COc3ccccc3C2=O)nn1 ZINC001595141974 952085817 /nfs/dbraw/zinc/08/58/17/952085817.db2.gz JEVXSWGZMIHZRJ-JTQLQIEISA-N -1 0 316.273 -0.264 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@H](C(=O)N3CCCC3)C2)nn1 ZINC001595141976 952086270 /nfs/dbraw/zinc/08/62/70/952086270.db2.gz GGWOYVJQPMXVBY-JTQLQIEISA-N -1 0 321.337 -0.553 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@@H](CO)Cc2ccccc2)nn1 ZINC001595142047 952086864 /nfs/dbraw/zinc/08/68/64/952086864.db2.gz JWZGUEZYQPTQGD-LBPRGKRZSA-N -1 0 318.333 -0.056 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@@H]2COc3ccccc3[C@H]2O)nn1 ZINC001595142381 952089989 /nfs/dbraw/zinc/08/99/89/952089989.db2.gz LSONBJMAGRATQU-ZWNOBZJWSA-N -1 0 318.289 -0.413 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCC(=O)NC2CCCCC2)nn1 ZINC001595142491 952091198 /nfs/dbraw/zinc/09/11/98/952091198.db2.gz NSJLZSHDPQETLX-UHFFFAOYSA-N -1 0 309.326 -0.459 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCN(Cc3cn[nH]c3)CC2)nn1 ZINC001595142566 952092138 /nfs/dbraw/zinc/09/21/38/952092138.db2.gz OCILAILPTMFTBZ-UHFFFAOYSA-N -1 0 319.325 -0.956 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCCN(CC(F)F)CC2)nn1 ZINC001595143142 952097260 /nfs/dbraw/zinc/09/72/60/952097260.db2.gz VDDLTMGMWABICV-UHFFFAOYSA-N -1 0 317.296 -0.224 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCCc2ccc(O)c(CO)c2)nn1 ZINC001595143610 952102697 /nfs/dbraw/zinc/10/26/97/952102697.db2.gz LGGGPEUXJNFXMW-UHFFFAOYSA-N -1 0 320.305 -0.467 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)cn1 ZINC001595145991 952113115 /nfs/dbraw/zinc/11/31/15/952113115.db2.gz QLKLGYKILSPYFC-ZETCQYMHSA-N -1 0 306.282 -0.534 20 0 DBADRM O=C([O-])Cn1cc(COC(=O)c2cnn3ccncc23)nn1 ZINC001595146064 952113691 /nfs/dbraw/zinc/11/36/91/952113691.db2.gz XKPXWCFMNINXOD-UHFFFAOYSA-N -1 0 302.250 -0.238 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CC[C@@H]3OCC[C@@H]3C2)n1 ZINC001595147647 952120634 /nfs/dbraw/zinc/12/06/34/952120634.db2.gz HATJPJVUQWBHLK-ZJUUUORDSA-N -1 0 322.321 -0.456 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CC[C@@H]3COC[C@@H]3C2)n1 ZINC001595148443 952127303 /nfs/dbraw/zinc/12/73/03/952127303.db2.gz RFTMTZDSGNQARJ-ZJUUUORDSA-N -1 0 322.321 -0.599 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC001595151445 952135147 /nfs/dbraw/zinc/13/51/47/952135147.db2.gz YFQJTDLDPKJDQD-HLTSFMKQSA-N -1 0 308.294 -0.658 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCCn3nncc3C2)c1=O ZINC001595154013 952153839 /nfs/dbraw/zinc/15/38/39/952153839.db2.gz GVKQUDUZUQHCFE-UHFFFAOYSA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCSC[C@H]2CO)c1=O ZINC001595154455 952157436 /nfs/dbraw/zinc/15/74/36/952157436.db2.gz MXGJWJGGBIPHGO-SECBINFHSA-N -1 0 312.347 -0.517 20 0 DBADRM O=C([O-])Cn1cnc(N2C(=O)[C@@H]3[C@H]4CCC[C@H]4CN3C2=O)n1 ZINC001595158309 952178833 /nfs/dbraw/zinc/17/88/33/952178833.db2.gz RLSOUFFZBQPHQZ-NRPADANISA-N -1 0 305.294 -0.070 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)c2ccccc2-n2cnnn2)n1 ZINC001595160595 952192322 /nfs/dbraw/zinc/19/23/22/952192322.db2.gz RECIHMKDSWFJPQ-UHFFFAOYSA-N -1 0 314.265 -0.409 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCCn3nncc3C2)C1 ZINC001595162523 952199488 /nfs/dbraw/zinc/19/94/88/952199488.db2.gz ANUMYJQDAJVGDV-SNVBAGLBSA-N -1 0 321.337 -0.666 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@H](CO)[C@@H]1CCCOC1 ZINC001595169465 952219496 /nfs/dbraw/zinc/21/94/96/952219496.db2.gz OKOKGKIIKYCAKF-MXWKQRLJSA-N -1 0 322.383 -0.843 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCCCN1CCCS1(=O)=O ZINC001595179616 952247754 /nfs/dbraw/zinc/24/77/54/952247754.db2.gz BLOSHEDMIYYJMK-NXEZZACHSA-N -1 0 304.368 -0.361 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[C@@H](N2CCOCC2)C1 ZINC000382484874 971816307 /nfs/dbraw/zinc/81/63/07/971816307.db2.gz AHERACZENBGEBE-GFCCVEGCSA-N -1 0 320.411 -0.022 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)c1nc2ncc(CCO)cn2n1 ZINC001595201063 952310053 /nfs/dbraw/zinc/31/00/53/952310053.db2.gz DMWFTEDZIHILAW-SECBINFHSA-N -1 0 305.294 -0.652 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCOC2CCOCC2)C1 ZINC001595201561 952316330 /nfs/dbraw/zinc/31/63/30/952316330.db2.gz RTZTYDPADGIRDH-MGCOHNPYSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(Cn1nnc3ccccc3c1=O)C2 ZINC001595202764 952317677 /nfs/dbraw/zinc/31/76/77/952317677.db2.gz DVQSEDCCZMSRRC-MEBBXXQBSA-N -1 0 316.317 -0.218 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1C[C@H]1CCCOC1)C2 ZINC001595203363 952319467 /nfs/dbraw/zinc/31/94/67/952319467.db2.gz WGFZQTOHDMJFOT-JTNHKYCSSA-N -1 0 323.353 -0.363 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)[nH]n1 ZINC001595207577 952340486 /nfs/dbraw/zinc/34/04/86/952340486.db2.gz XRJZSRDNLQGWHE-NSHDSACASA-N -1 0 322.321 -0.429 20 0 DBADRM CCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(N)=O ZINC000383593028 971878993 /nfs/dbraw/zinc/87/89/93/971878993.db2.gz RXABJLFZOOCUCB-QMMMGPOBSA-N -1 0 303.340 -0.344 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])oc2C)C1 ZINC000384000095 971905689 /nfs/dbraw/zinc/90/56/89/971905689.db2.gz RUQINCMTUYQPFU-UHFFFAOYSA-N -1 0 305.308 -0.332 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N(OC)[C@H](C)C(=O)[O-])C1 ZINC001593353699 953351522 /nfs/dbraw/zinc/35/15/22/953351522.db2.gz CYSMVWYGNLKMDF-ZJUUUORDSA-N -1 0 322.383 -0.089 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001593354069 953353300 /nfs/dbraw/zinc/35/33/00/953353300.db2.gz QPMPDJRQPDAOOQ-SKDRFNHKSA-N -1 0 306.384 -0.115 20 0 DBADRM Cn1nccc1[C@@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-] ZINC000402509735 953354165 /nfs/dbraw/zinc/35/41/65/953354165.db2.gz FHKXXYAXSMNPAU-LLVKDONJSA-N -1 0 321.318 -0.209 20 0 DBADRM O=C([O-])c1cncc(NC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC001594738063 953354686 /nfs/dbraw/zinc/35/46/86/953354686.db2.gz HXPZINSZRWBJHQ-SNVBAGLBSA-N -1 0 306.282 -0.446 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593355097 953356102 /nfs/dbraw/zinc/35/61/02/953356102.db2.gz JPVHSJOACRGWHM-DTORHVGOSA-N -1 0 307.372 -0.522 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CCS(=O)(=O)CCO2)CCC1 ZINC001594742194 953366685 /nfs/dbraw/zinc/36/66/85/953366685.db2.gz PTRWMZRENYHKQK-UHFFFAOYSA-N -1 0 306.340 -0.387 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589265747 953369328 /nfs/dbraw/zinc/36/93/28/953369328.db2.gz JXWFDRSXXGGINU-SQSQXLIZSA-N -1 0 318.395 -0.561 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589265745 953369928 /nfs/dbraw/zinc/36/99/28/953369928.db2.gz JXWFDRSXXGGINU-IFLNPDNJSA-N -1 0 318.395 -0.561 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001593459725 953370239 /nfs/dbraw/zinc/37/02/39/953370239.db2.gz GPCPUYDQSNPMFC-YRMIWKTRSA-N -1 0 318.395 -0.560 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@H](O)C2CCOCC2)CCOCC1 ZINC001594742831 953371048 /nfs/dbraw/zinc/37/10/48/953371048.db2.gz FDUUCRHOTSSCET-LLVKDONJSA-N -1 0 301.339 -0.229 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ncnn1C ZINC001589266172 953371653 /nfs/dbraw/zinc/37/16/53/953371653.db2.gz OCUWQDDXTYOEJA-BBBLOLIVSA-N -1 0 323.353 -0.439 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@H]3C[C@H]3C2)CCOCC1 ZINC001594742858 953371823 /nfs/dbraw/zinc/37/18/23/953371823.db2.gz ILAPMSASUUCLCX-QWRGUYRKSA-N -1 0 310.350 -0.148 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NC[C@@H]2COCCO2)C1 ZINC001589266426 953373940 /nfs/dbraw/zinc/37/39/40/953373940.db2.gz RTLNVDIEYCUGCE-OUAUKWLOSA-N -1 0 314.338 -0.913 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCc2cn(C)cn2)C1 ZINC001589266835 953376148 /nfs/dbraw/zinc/37/61/48/953376148.db2.gz XWOSMRQTSSJBAC-QWRGUYRKSA-N -1 0 322.365 -0.352 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCN2CCCS2(=O)=O)C1 ZINC001589268732 953389608 /nfs/dbraw/zinc/38/96/08/953389608.db2.gz IXJRGWKROBZYKT-GHMZBOCLSA-N -1 0 318.395 -0.019 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001589268800 953390369 /nfs/dbraw/zinc/39/03/69/953390369.db2.gz KASCAXKSHGGZLY-UWVGGRQHSA-N -1 0 309.322 -0.504 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001589268801 953390417 /nfs/dbraw/zinc/39/04/17/953390417.db2.gz KASCAXKSHGGZLY-VHSXEESVSA-N -1 0 309.322 -0.504 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2cn(C)c(=O)[nH]c2=O)C1 ZINC001589271570 953411768 /nfs/dbraw/zinc/41/17/68/953411768.db2.gz HIEOVYRTELYLMV-DTWKUNHWSA-N -1 0 324.337 -0.262 20 0 DBADRM CC[C@@H](NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001593607053 953437322 /nfs/dbraw/zinc/43/73/22/953437322.db2.gz QAUNUTIQNDPAOB-DTWKUNHWSA-N -1 0 313.397 -0.406 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCC2CS(=O)(=O)C2)C1 ZINC001594754277 953460167 /nfs/dbraw/zinc/46/01/67/953460167.db2.gz MQGBDHTWMJQUPW-ZJUUUORDSA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCCN1CC=CC1 ZINC001594757939 953477938 /nfs/dbraw/zinc/47/79/38/953477938.db2.gz FJHRLRVSKTWSIF-UHFFFAOYSA-N -1 0 304.306 -0.294 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)NCCCn2cccn2)C1 ZINC001594758063 953479617 /nfs/dbraw/zinc/47/96/17/953479617.db2.gz ACWUTNRCVGUKER-LLVKDONJSA-N -1 0 308.338 -0.287 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCN2CCNC2=S)C1 ZINC001594758250 953484119 /nfs/dbraw/zinc/48/41/19/953484119.db2.gz MROQTWYWEICAGI-BDAKNGLRSA-N -1 0 300.384 -0.271 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NCCNC(=O)c2ccc(O)cc2)CCCO1 ZINC001594758245 953484448 /nfs/dbraw/zinc/48/44/48/953484448.db2.gz MMDQKCJBTCWPSJ-HNNXBMFYSA-N -1 0 322.317 -0.128 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCN2CCS(=O)(=O)CC2)C1 ZINC001594758486 953487753 /nfs/dbraw/zinc/48/77/53/953487753.db2.gz SHQKFNMSHOLYBF-WDEREUQCSA-N -1 0 318.395 -0.666 20 0 DBADRM CC[C@H](NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)C(=O)[O-] ZINC001593616726 953499770 /nfs/dbraw/zinc/49/97/70/953499770.db2.gz HQONZNJHKMSYMG-VIFPVBQESA-N -1 0 315.370 -0.225 20 0 DBADRM CC[C@H](NC(=O)CNS(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC001593618676 953510036 /nfs/dbraw/zinc/51/00/36/953510036.db2.gz CKRFOTIMRDOERG-QMMMGPOBSA-N -1 0 319.339 -0.451 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NCCn2cccn2)c1 ZINC001594765743 953529180 /nfs/dbraw/zinc/52/91/80/953529180.db2.gz PZCPYTDFHCXNRC-UHFFFAOYSA-N -1 0 303.278 -0.269 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nnc([C@]3(O)CCOC3)n2C)C1 ZINC001589282135 953530815 /nfs/dbraw/zinc/53/08/15/953530815.db2.gz MCEBCJRNSLZVSR-RULNRJAQSA-N -1 0 310.354 -0.030 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nnc([C@@]3(O)CCOC3)n2C)C1 ZINC001589282133 953530872 /nfs/dbraw/zinc/53/08/72/953530872.db2.gz MCEBCJRNSLZVSR-ISTVAULSSA-N -1 0 310.354 -0.030 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nnnn2[C@H]2CCN(C)C2=O)C1 ZINC001589283983 953539896 /nfs/dbraw/zinc/53/98/96/953539896.db2.gz APOSZBSLDCVMMG-BBBLOLIVSA-N -1 0 308.342 -0.377 20 0 DBADRM C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485313907 1013115861 /nfs/dbraw/zinc/11/58/61/1013115861.db2.gz UGJGJSWFZYFDBL-ZETCQYMHSA-N -1 0 307.314 -0.744 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)c1 ZINC001594769920 953553813 /nfs/dbraw/zinc/55/38/13/953553813.db2.gz JDXNRGASCAZQOH-BLLLJJGKSA-N -1 0 318.329 -0.158 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nnc([C@H]3CNC(=O)C3)n2C)C1 ZINC001589285069 953555885 /nfs/dbraw/zinc/55/58/85/953555885.db2.gz SIBBMSWNYPUCAT-OPRDCNLKSA-N -1 0 307.354 -0.034 20 0 DBADRM CCc1cc(=O)n2[nH]c(NC(=O)[C@](C)(OC)C(=O)[O-])nc2n1 ZINC001593627261 953561840 /nfs/dbraw/zinc/56/18/40/953561840.db2.gz IRACLYPJZKDHID-LBPRGKRZSA-N -1 0 309.282 -0.592 20 0 DBADRM C[C@@H]1C[C@H](CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@@H](C)O1 ZINC001589285866 953570322 /nfs/dbraw/zinc/57/03/22/953570322.db2.gz ICAUDLKWXJOZMC-GWOFURMSSA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@@H]1C[C@@H](CO)CN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001589286114 953574112 /nfs/dbraw/zinc/57/41/12/953574112.db2.gz NUQCAQSHGAXHNF-VXGBXAGGSA-N -1 0 318.370 -0.236 20 0 DBADRM O=C([O-])c1ccccc1CNC(=O)C(=O)N1CC[C@@](F)(CO)C1 ZINC001594773283 953577077 /nfs/dbraw/zinc/57/70/77/953577077.db2.gz KESIGJVINWEAJB-HNNXBMFYSA-N -1 0 324.308 -0.066 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001589288185 953582361 /nfs/dbraw/zinc/58/23/61/953582361.db2.gz BZAUQUVDSTUYNY-DTWKUNHWSA-N -1 0 310.310 -0.410 20 0 DBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001589289651 953588974 /nfs/dbraw/zinc/58/89/74/953588974.db2.gz KYKXDNQPIAMFCP-JMSVASOKSA-N -1 0 312.366 -0.058 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CS1 ZINC001589290311 953595026 /nfs/dbraw/zinc/59/50/26/953595026.db2.gz RHMFFDIIINMRCB-HRDYMLBCSA-N -1 0 302.352 -0.691 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CS1 ZINC001589290309 953595335 /nfs/dbraw/zinc/59/53/35/953595335.db2.gz RHMFFDIIINMRCB-HLTSFMKQSA-N -1 0 302.352 -0.691 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCc2ccon2)CCOCC1 ZINC001594777429 953602004 /nfs/dbraw/zinc/60/20/04/953602004.db2.gz YFUBUJFHAWCZOQ-UHFFFAOYSA-N -1 0 311.294 -0.712 20 0 DBADRM CCc1cccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001593640305 953640345 /nfs/dbraw/zinc/64/03/45/953640345.db2.gz WLPATPDYVKORFF-LLVKDONJSA-N -1 0 312.347 -0.032 20 0 DBADRM C[C@@H]1CN(CC(=O)NCC(=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC001589297166 953658875 /nfs/dbraw/zinc/65/88/75/953658875.db2.gz ZLRYDXNYMRXAEL-GYSYKLTISA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@@H]1CN(CC(=O)NCC(=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC001589297167 953658962 /nfs/dbraw/zinc/65/89/62/953658962.db2.gz ZLRYDXNYMRXAEL-JTNHKYCSSA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC001589299057 953676118 /nfs/dbraw/zinc/67/61/18/953676118.db2.gz HFCVAKWYVVJKNM-VHSXEESVSA-N -1 0 311.338 -0.331 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001594787092 953680700 /nfs/dbraw/zinc/68/07/00/953680700.db2.gz GTKJKCZPRAPJBC-WISYIIOYSA-N -1 0 320.349 -0.214 20 0 DBADRM CCc1nc(CNC(=O)c2cccn(CC(=O)[O-])c2=O)n[nH]1 ZINC001593649801 953703163 /nfs/dbraw/zinc/70/31/63/953703163.db2.gz MVSDOPBQXBTSMQ-UHFFFAOYSA-N -1 0 305.294 -0.457 20 0 DBADRM CCc1nn(C)c(CC)c1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001593653768 953726688 /nfs/dbraw/zinc/72/66/88/953726688.db2.gz RDXWBKAROWYXEE-GFCCVEGCSA-N -1 0 319.383 -0.341 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)[C@]2(C(=O)[O-])CCCO2)CS1(=O)=O ZINC001589312489 953801690 /nfs/dbraw/zinc/80/16/90/953801690.db2.gz WYUUOEAJTVCHGS-LNLATYFQSA-N -1 0 305.352 -0.298 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)[C@]2(C(=O)[O-])CCCO2)CS1(=O)=O ZINC001589312491 953802161 /nfs/dbraw/zinc/80/21/61/953802161.db2.gz WYUUOEAJTVCHGS-PTRXPTGYSA-N -1 0 305.352 -0.298 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCOCC2)CS1(=O)=O ZINC001589312579 953803772 /nfs/dbraw/zinc/80/37/72/953803772.db2.gz ZGRXRKYJPMMBTK-VHSXEESVSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H](CC(C)(C)O)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000384812160 971960204 /nfs/dbraw/zinc/96/02/04/971960204.db2.gz CMRCNMLGGBTCFU-QMMMGPOBSA-N -1 0 305.356 -0.205 20 0 DBADRM C[C@@H]1C[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)[C@H](C)O1 ZINC000384856413 971962273 /nfs/dbraw/zinc/96/22/73/971962273.db2.gz GOPXLAWHZYGVMR-WEDXCCLWSA-N -1 0 303.340 -0.188 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NN1CCCNC1=O ZINC001594811663 953833324 /nfs/dbraw/zinc/83/33/24/953833324.db2.gz GCOLDKXLONFRBS-UHFFFAOYSA-N -1 0 307.266 -0.835 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)CCCO1 ZINC001594815457 953858465 /nfs/dbraw/zinc/85/84/65/953858465.db2.gz ZJYMOVVVXNEGPE-LKFCYVNXSA-N -1 0 322.321 -0.170 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)c1 ZINC001594816898 953870370 /nfs/dbraw/zinc/87/03/70/953870370.db2.gz QDZCACYBVMVFOW-AOOOYVTPSA-N -1 0 305.290 -0.177 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N2CCn3cnnc3C2)c1 ZINC001594817430 953875976 /nfs/dbraw/zinc/87/59/76/953875976.db2.gz XLDSLABXHBGWAI-UHFFFAOYSA-N -1 0 316.277 -0.648 20 0 DBADRM CCn1nc(C(=O)N2CC[C@@](COC)(C(=O)[O-])C2)ccc1=O ZINC001593670693 953879953 /nfs/dbraw/zinc/87/99/53/953879953.db2.gz MAPACKGDTDQQJD-CQSZACIVSA-N -1 0 309.322 -0.174 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)C1CCC(CO)CC1 ZINC001593673905 953896264 /nfs/dbraw/zinc/89/62/64/953896264.db2.gz HIJWTHLCLXBDPL-CXQJBGSLSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)[C@H]1CC[C@H](O)CC1 ZINC001593675729 953923557 /nfs/dbraw/zinc/92/35/57/953923557.db2.gz FIYAVFNRNAKCNZ-MGCOHNPYSA-N -1 0 324.337 -0.332 20 0 DBADRM C[C@@H]1CCCN(C(=O)c2cnn(C[C@H](O)CO)c2)[C@H]1C(=O)[O-] ZINC001589328046 953928225 /nfs/dbraw/zinc/92/82/25/953928225.db2.gz MKJKSTMOMJMWCE-ADEWGFFLSA-N -1 0 311.338 -0.438 20 0 DBADRM CN(C(=O)[C@]1(C(=O)[O-])CC=CCC1)N1CCS(=O)(=O)CC1 ZINC001593676369 953930979 /nfs/dbraw/zinc/93/09/79/953930979.db2.gz MLYXEOZLERCRLY-ZDUSSCGKSA-N -1 0 316.379 -0.099 20 0 DBADRM CN(C(=O)[C@@]1(C(=O)[O-])CC=CCC1)N1CCS(=O)(=O)CC1 ZINC001593676368 953931170 /nfs/dbraw/zinc/93/11/70/953931170.db2.gz MLYXEOZLERCRLY-CYBMUJFWSA-N -1 0 316.379 -0.099 20 0 DBADRM O=C([O-])C(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC001594825136 953934373 /nfs/dbraw/zinc/93/43/73/953934373.db2.gz BOPOHAGSWJQLDW-UHFFFAOYSA-N -1 0 304.368 -0.122 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)CCCCc2c[nH]nn2)CC1 ZINC001594825714 953938467 /nfs/dbraw/zinc/93/84/67/953938467.db2.gz OANBYFSCQPYOMI-UHFFFAOYSA-N -1 0 309.326 -0.727 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cc3c(cn2)OCCO3)CC1 ZINC001594827041 953945152 /nfs/dbraw/zinc/94/51/52/953945152.db2.gz WFLDELYFITXEGZ-UHFFFAOYSA-N -1 0 321.289 -0.778 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cc3cccn3cn2)CC1 ZINC001594827072 953946530 /nfs/dbraw/zinc/94/65/30/953946530.db2.gz YUYDLLQFBQZLPD-UHFFFAOYSA-N -1 0 302.290 -0.297 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@@H](O)CC2(O)CCCC2)CC1 ZINC001594828192 953954059 /nfs/dbraw/zinc/95/40/59/953954059.db2.gz GFPZMDIRFOBLOG-NSHDSACASA-N -1 0 300.355 -0.729 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2c[nH]nc2[C@@H]2CCCO2)CC1 ZINC001594828258 953955418 /nfs/dbraw/zinc/95/54/18/953955418.db2.gz OBKQRWFOUMGSHD-JTQLQIEISA-N -1 0 322.321 -0.370 20 0 DBADRM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001593681345 953956153 /nfs/dbraw/zinc/95/61/53/953956153.db2.gz HHCKYJGYNWTYGF-KKZNHRDASA-N -1 0 311.338 -0.021 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ncc[nH]2)C[C@@H]1C(=O)[O-] ZINC001589332786 953956734 /nfs/dbraw/zinc/95/67/34/953956734.db2.gz PNADOTZOOQSOTM-ZJUUUORDSA-N -1 0 308.338 -0.063 20 0 DBADRM CN(C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)[C@@H]1COC[C@H]1O ZINC001593681927 953963875 /nfs/dbraw/zinc/96/38/75/953963875.db2.gz VSOAUUJAXBHYBM-RKDXNWHRSA-N -1 0 312.326 -0.074 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)O1 ZINC001593682068 953965610 /nfs/dbraw/zinc/96/56/10/953965610.db2.gz ONMATVUTJKNDQZ-DBIOUOCHSA-N -1 0 313.354 -0.215 20 0 DBADRM CN(C)C(=O)CCCn1nnnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001593683606 953979294 /nfs/dbraw/zinc/97/92/94/953979294.db2.gz FLGCWMAXUBIKDK-ZDUSSCGKSA-N -1 0 310.358 -0.158 20 0 DBADRM CN(C)C(=O)CC1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001593684459 953985465 /nfs/dbraw/zinc/98/54/65/953985465.db2.gz VZJBVFBSSFFBEE-UHFFFAOYSA-N -1 0 320.411 -0.324 20 0 DBADRM CN(C)C(=O)NCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001593686232 953989674 /nfs/dbraw/zinc/98/96/74/953989674.db2.gz DNGJHHUPOGIRNE-UHFFFAOYSA-N -1 0 323.309 -0.894 20 0 DBADRM CN(C)C(=O)O[C@H]1CCCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001593686551 953990462 /nfs/dbraw/zinc/99/04/62/953990462.db2.gz KQXQQSFEGOXTEA-WDEREUQCSA-N -1 0 313.354 -0.166 20 0 DBADRM CN(C)C(=O)O[C@H]1CCCN([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001593686549 953990718 /nfs/dbraw/zinc/99/07/18/953990718.db2.gz KQXQQSFEGOXTEA-QWRGUYRKSA-N -1 0 313.354 -0.166 20 0 DBADRM C[C@@H]1CCN(C(=O)C2(CS(C)(=O)=O)COC2)C[C@H]1C(=O)[O-] ZINC001589335567 953992238 /nfs/dbraw/zinc/99/22/38/953992238.db2.gz HELJMIDQFFEGOY-NXEZZACHSA-N -1 0 319.379 -0.383 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001593686840 953993164 /nfs/dbraw/zinc/99/31/64/953993164.db2.gz JJBVIRLMJQGUBU-DTORHVGOSA-N -1 0 309.326 -0.044 20 0 DBADRM CN(C)C(=O)O[C@@H]1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001593687544 953999298 /nfs/dbraw/zinc/99/92/98/953999298.db2.gz WROCQSQTJDUICI-RNCFNFMXSA-N -1 0 300.311 -0.081 20 0 DBADRM CN(C)[C@@H](C(=O)Nc1ccn(CC(=O)[O-])n1)c1cncn1C ZINC001593690394 954023590 /nfs/dbraw/zinc/02/35/90/954023590.db2.gz ARJQCGBYXVIJHS-GFCCVEGCSA-N -1 0 306.326 -0.057 20 0 DBADRM C[NH+](C)C[C@@H]1COC2(CCCC2)CN1CC(=O)NCC(=O)[O-] ZINC001593695891 954074361 /nfs/dbraw/zinc/07/43/61/954074361.db2.gz VGYFAOSIVXNLBI-GFCCVEGCSA-N -1 0 313.398 -0.238 20 0 DBADRM C[C@H]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CCS1(=O)=O ZINC001589350937 954079604 /nfs/dbraw/zinc/07/96/04/954079604.db2.gz PYGBRBXICFVAEV-QMMMGPOBSA-N -1 0 313.335 -0.176 20 0 DBADRM O=C([O-])C1(C(=O)N2CC(O)(C3CC3)C2)CCS(=O)(=O)CC1 ZINC001594843386 954102999 /nfs/dbraw/zinc/10/29/99/954102999.db2.gz GAXOQNKTSSZRNF-UHFFFAOYSA-N -1 0 317.363 -0.751 20 0 DBADRM CC1CCN(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1 ZINC001589355125 954123800 /nfs/dbraw/zinc/12/38/00/954123800.db2.gz DABGWIYJNLEGAY-AAEUAGOBSA-N -1 0 318.395 -0.004 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N(CCO)CCCO)c1 ZINC000385251863 971989667 /nfs/dbraw/zinc/98/96/67/971989667.db2.gz JIHIXVIXJQBJJH-UHFFFAOYSA-N -1 0 304.324 -0.855 20 0 DBADRM C[C@H]1CCS(=O)(=O)CCN1C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001589360546 954152770 /nfs/dbraw/zinc/15/27/70/954152770.db2.gz BZKUESLQMSANQD-ZETCQYMHSA-N -1 0 301.324 -0.243 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)CCCO1 ZINC001594847544 954157236 /nfs/dbraw/zinc/15/72/36/954157236.db2.gz MLRVNGGBLZEACC-GIPNMCIBSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)CCCO1 ZINC001594847546 954157411 /nfs/dbraw/zinc/15/74/11/954157411.db2.gz MLRVNGGBLZEACC-OPQQBVKSSA-N -1 0 317.363 -0.487 20 0 DBADRM CN(C)S(=O)(=O)N1CC(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)C1 ZINC001593708267 954158356 /nfs/dbraw/zinc/15/83/56/954158356.db2.gz NXMWSGIUUQYSQE-LBPRGKRZSA-N -1 0 319.383 -0.906 20 0 DBADRM CN(C)c1cc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)ncn1 ZINC001593711451 954191633 /nfs/dbraw/zinc/19/16/33/954191633.db2.gz YGBZJCWBOCWSBX-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@@]1(C)CO ZINC001589365885 954192380 /nfs/dbraw/zinc/19/23/80/954192380.db2.gz AFXKIEHQHCXAAZ-OTYXRUKQSA-N -1 0 324.337 -0.617 20 0 DBADRM CN(C)c1cnc(C(=O)OCc2cn(CC(=O)[O-])nn2)cn1 ZINC001593712543 954193615 /nfs/dbraw/zinc/19/36/15/954193615.db2.gz HQVDDUQHBLLTAJ-UHFFFAOYSA-N -1 0 306.282 -0.424 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N[C@H](CO)CN2CCOCC2)CC=CCC1 ZINC001594851575 954195955 /nfs/dbraw/zinc/19/59/55/954195955.db2.gz APVWISFRMIJELM-WFASDCNBSA-N -1 0 312.366 -0.393 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H](CO)C2CCC2)CCS(=O)(=O)CC1 ZINC001594851707 954198615 /nfs/dbraw/zinc/19/86/15/954198615.db2.gz FNPFEVVDLZAKCL-JTQLQIEISA-N -1 0 319.379 -0.457 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C[C@@]1(C)CO ZINC001589366253 954199268 /nfs/dbraw/zinc/19/92/68/954199268.db2.gz LUKLNYIZRRDEEW-ZVXAKGHKSA-N -1 0 312.366 -0.167 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N(CC(=O)[O-])C2CCOCC2)n1 ZINC001593715159 954208536 /nfs/dbraw/zinc/20/85/36/954208536.db2.gz IAFICDIERKRQDT-UHFFFAOYSA-N -1 0 324.341 -0.774 20 0 DBADRM CN(CC(=O)N1CCC[C@]1(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001593716255 954221259 /nfs/dbraw/zinc/22/12/59/954221259.db2.gz BPDVWSVPDOJCGN-GXFFZTMASA-N -1 0 318.395 -0.429 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)CSCCC(=O)[O-] ZINC001593716333 954222487 /nfs/dbraw/zinc/22/24/87/954222487.db2.gz KALXNSLYCCHUKQ-UHFFFAOYSA-N -1 0 304.368 -0.489 20 0 DBADRM CN(CC(=O)NC(C)(C)CCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001593716534 954224750 /nfs/dbraw/zinc/22/47/50/954224750.db2.gz ULDXMFDGMRNUFT-SNVBAGLBSA-N -1 0 320.411 -0.135 20 0 DBADRM CN([C@]1(CO)CCOC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001593716599 954225862 /nfs/dbraw/zinc/22/58/62/954225862.db2.gz BAKVGYLEYGVJPV-LBPRGKRZSA-N -1 0 322.383 -0.889 20 0 DBADRM C[C@@H]1CN(C(=O)C2=NN(CCO)C(=O)CC2)CC[C@@H]1C(=O)[O-] ZINC001589373783 954230089 /nfs/dbraw/zinc/23/00/89/954230089.db2.gz GNOZOWYWPZEHFD-ZJUUUORDSA-N -1 0 311.338 -0.474 20 0 DBADRM C[C@H]1CN(C(=O)C2=NN(CCO)C(=O)CC2)CC[C@@H]1C(=O)[O-] ZINC001589373781 954230890 /nfs/dbraw/zinc/23/08/90/954230890.db2.gz GNOZOWYWPZEHFD-UWVGGRQHSA-N -1 0 311.338 -0.474 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CCN1CCO ZINC001589373870 954232224 /nfs/dbraw/zinc/23/22/24/954232224.db2.gz XTCDZTGVJNVQGZ-UPJWGTAASA-N -1 0 314.382 -0.219 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NCC2(OCCO)CCOCC2)CCCO1 ZINC001594856099 954235421 /nfs/dbraw/zinc/23/54/21/954235421.db2.gz IKRALPPHCQJVFB-AWEZNQCLSA-N -1 0 317.338 -0.706 20 0 DBADRM CN(CC(=O)NCc1ccco1)C(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001593719544 954243605 /nfs/dbraw/zinc/24/36/05/954243605.db2.gz VTMVPYTZVGZQKW-CQSZACIVSA-N -1 0 310.306 -0.012 20 0 DBADRM C[C@@H]1CN(C(=O)NCCN2CCNC(=O)C2)CC[C@H]1C(=O)[O-] ZINC001589375182 954247598 /nfs/dbraw/zinc/24/75/98/954247598.db2.gz FEZBDLMGHPAAEO-GHMZBOCLSA-N -1 0 312.370 -0.830 20 0 DBADRM O=C([O-])C1(C(=O)NCCCN2CCOCC2)CCOCC1 ZINC001594858999 954261229 /nfs/dbraw/zinc/26/12/29/954261229.db2.gz ULTYLCHIHBNXHH-UHFFFAOYSA-N -1 0 300.355 -0.294 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@H]2CCOC2)CCS(=O)(=O)CC1 ZINC001594859041 954261507 /nfs/dbraw/zinc/26/15/07/954261507.db2.gz DSJBVQDZHBCZPN-SECBINFHSA-N -1 0 305.352 -0.581 20 0 DBADRM CN(CC(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O)c1ncccn1 ZINC001593724103 954270197 /nfs/dbraw/zinc/27/01/97/954270197.db2.gz LEIICXUESRKGLE-SECBINFHSA-N -1 0 308.294 -0.859 20 0 DBADRM CN(C[C@@H](O)c1cccnc1)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001593726718 954278783 /nfs/dbraw/zinc/27/87/83/954278783.db2.gz GZPHFYRNPTVZHK-LLVKDONJSA-N -1 0 305.294 -0.437 20 0 DBADRM O=C([O-])C1(C(=O)NCCS(=O)(=O)C2CCOCC2)CC1 ZINC001594862133 954282555 /nfs/dbraw/zinc/28/25/55/954282555.db2.gz LXEJIFASJGONTA-UHFFFAOYSA-N -1 0 305.352 -0.439 20 0 DBADRM CN(CC(F)(F)F)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593727256 954285943 /nfs/dbraw/zinc/28/59/43/954285943.db2.gz CPCGIBCIZYBMME-UHFFFAOYSA-N -1 0 308.216 -0.073 20 0 DBADRM C[C@H]1CN(C(=O)NCc2cn(C)c(=O)[nH]c2=O)CC[C@@H]1C(=O)[O-] ZINC001589382612 954288449 /nfs/dbraw/zinc/28/84/49/954288449.db2.gz HRZJGUVZNVBWEK-WPRPVWTQSA-N -1 0 324.337 -0.262 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@H](C(=O)[O-])C1CC1 ZINC001593727935 954295095 /nfs/dbraw/zinc/29/50/95/954295095.db2.gz VGHMAXVBDHMSSJ-VXGBXAGGSA-N -1 0 300.355 -0.751 20 0 DBADRM O=C([O-])[C@]1(C(=O)NCc2ccnc(-n3cncn3)c2)CCCO1 ZINC001594863399 954298031 /nfs/dbraw/zinc/29/80/31/954298031.db2.gz IHUQMYYGUSXIDT-CQSZACIVSA-N -1 0 317.305 -0.088 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCCNC(=O)C(C)(C)C ZINC001593731125 954317519 /nfs/dbraw/zinc/31/75/19/954317519.db2.gz FLEPOCWPEVPYNG-UHFFFAOYSA-N -1 0 301.343 -0.802 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC001593731301 954319712 /nfs/dbraw/zinc/31/97/12/954319712.db2.gz JERLRUKDTGYXRN-UHFFFAOYSA-N -1 0 320.367 -0.997 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC001593731580 954319979 /nfs/dbraw/zinc/31/99/79/954319979.db2.gz MINDNZRGQBCZLA-NSHDSACASA-N -1 0 320.349 -0.290 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC(CCC(N)=O)CC1 ZINC001593731784 954322572 /nfs/dbraw/zinc/32/25/72/954322572.db2.gz UBGOKCXLMURSHW-UHFFFAOYSA-N -1 0 313.354 -0.576 20 0 DBADRM C[C@@H]1CN(CN2C[C@@H](C(=O)[O-])CC2=O)C[C@@H](C)S1(=O)=O ZINC001589399335 954401864 /nfs/dbraw/zinc/40/18/64/954401864.db2.gz PLHMRFGUAFLAEJ-BBBLOLIVSA-N -1 0 304.368 -0.616 20 0 DBADRM C[C@H]1CN(Cc2cc(C(=O)[O-])nn2C)CCS(=O)(=O)C1 ZINC001589399627 954405228 /nfs/dbraw/zinc/40/52/28/954405228.db2.gz RKUOXIWVGXCRPI-VIFPVBQESA-N -1 0 301.368 -0.015 20 0 DBADRM C[C@@H]1CN(CCNC(=O)[C@@]2(C(=O)[O-])CCCO2)[C@H](C)CO1 ZINC001589400097 954412514 /nfs/dbraw/zinc/41/25/14/954412514.db2.gz MIDFKTQUIWKOJF-JTNHKYCSSA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@@H]1CN(CCNC(=O)[C@]2(C(=O)[O-])CCCO2)[C@H](C)CO1 ZINC001589400096 954412782 /nfs/dbraw/zinc/41/27/82/954412782.db2.gz MIDFKTQUIWKOJF-GYSYKLTISA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@H]1CN(CCNC(=O)c2cccn(CC(=O)[O-])c2=O)CCO1 ZINC001589400374 954418435 /nfs/dbraw/zinc/41/84/35/954418435.db2.gz PHNBMPVVIBYQFC-NSHDSACASA-N -1 0 323.349 -0.617 20 0 DBADRM CN(CCOCCO)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001593753581 954429333 /nfs/dbraw/zinc/42/93/33/954429333.db2.gz BUIAZJFFCXNMPB-LLVKDONJSA-N -1 0 316.354 -0.833 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1ncccn1 ZINC001485324295 1013123966 /nfs/dbraw/zinc/12/39/66/1013123966.db2.gz FUWMFJSESPUCBB-QMMMGPOBSA-N -1 0 319.325 -0.677 20 0 DBADRM CN(CCc1cnccn1)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001593756765 954459172 /nfs/dbraw/zinc/45/91/72/954459172.db2.gz FTNSGNYRWOUVQU-LLVKDONJSA-N -1 0 320.349 -0.199 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)C1 ZINC001594885656 954460414 /nfs/dbraw/zinc/46/04/14/954460414.db2.gz MECVOKGEHZPUIC-MRTMQBJTSA-N -1 0 316.335 -0.891 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)C1 ZINC001594885657 954460542 /nfs/dbraw/zinc/46/05/42/954460542.db2.gz MECVOKGEHZPUIC-NRPADANISA-N -1 0 316.335 -0.891 20 0 DBADRM CC[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000385820898 972016375 /nfs/dbraw/zinc/01/63/75/972016375.db2.gz ROUGVZWBOWUTIE-KOLCDFICSA-N -1 0 317.367 -0.251 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCN(c3ncc(F)cn3)CC2)C1 ZINC001594888132 954480667 /nfs/dbraw/zinc/48/06/67/954480667.db2.gz AKRVMQLDGANSCH-SNVBAGLBSA-N -1 0 323.284 -0.506 20 0 DBADRM CN(Cc1cccc(C(N)=O)c1)C(=O)C(=O)NCCC(=O)[O-] ZINC001593761107 954493002 /nfs/dbraw/zinc/49/30/02/954493002.db2.gz SMFYOGPUQJZVRN-UHFFFAOYSA-N -1 0 307.306 -0.665 20 0 DBADRM C[C@H]1COCC[C@@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589408721 954494413 /nfs/dbraw/zinc/49/44/13/954494413.db2.gz MTCUMWJFYIUXDZ-IUCAKERBSA-N -1 0 310.310 -0.553 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@@H](CO)Cc2ccc(O)cc2)C1 ZINC001594888887 954494481 /nfs/dbraw/zinc/49/44/81/954494481.db2.gz HLNQSFQYKIEYHW-BXKDBHETSA-N -1 0 308.290 -0.359 20 0 DBADRM CN(Cc1ccccc1S(N)(=O)=O)C(=O)COCC(=O)[O-] ZINC001593763913 954498897 /nfs/dbraw/zinc/49/88/97/954498897.db2.gz ULDNVQCIYWCMFT-UHFFFAOYSA-N -1 0 316.335 -0.606 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)C1 ZINC001594889565 954503543 /nfs/dbraw/zinc/50/35/43/954503543.db2.gz IFUAPYGQIZCNPH-LPEHRKFASA-N -1 0 316.335 -0.606 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)C1 ZINC001594889564 954503749 /nfs/dbraw/zinc/50/37/49/954503749.db2.gz IFUAPYGQIZCNPH-KXUCPTDWSA-N -1 0 316.335 -0.606 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@H]2Cc3cnccc3NC2=O)C1 ZINC001594890031 954510506 /nfs/dbraw/zinc/51/05/06/954510506.db2.gz GLMBNKLIAAPVJB-WCBMZHEXSA-N -1 0 304.262 -0.710 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)c1cc(C(=O)[O-])nn1C ZINC001593765480 954514467 /nfs/dbraw/zinc/51/44/67/954514467.db2.gz RACBHDPODVNRSG-UHFFFAOYSA-N -1 0 304.310 -0.072 20 0 DBADRM CN(OCC(F)(F)F)C(=O)CNC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001593766596 954522680 /nfs/dbraw/zinc/52/26/80/954522680.db2.gz TYZDUPMROBUFAU-UHFFFAOYSA-N -1 0 324.215 -0.210 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)NC[C@H](C(=O)[O-])C2CCC2)C1=O ZINC001593766988 954525931 /nfs/dbraw/zinc/52/59/31/954525931.db2.gz GDSIWASAJSEDMY-VHSXEESVSA-N -1 0 311.338 -0.066 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NC[C@@H](O)COc2ccccc2)C1 ZINC001594892017 954541050 /nfs/dbraw/zinc/54/10/50/954541050.db2.gz PWNXAEKJJJLPQZ-SKDRFNHKSA-N -1 0 308.290 -0.228 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C2(C(=O)[O-])CC2)C1=O ZINC001593771810 954543345 /nfs/dbraw/zinc/54/33/45/954543345.db2.gz JVWQCYQJZYHXGU-CLAHSXSESA-N -1 0 309.322 -0.312 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC001594892281 954543839 /nfs/dbraw/zinc/54/38/39/954543839.db2.gz RCVIVADDRKRGTC-VIFPVBQESA-N -1 0 304.324 -0.843 20 0 DBADRM CN1C(=O)Cc2cc(NC(=O)C(=O)NCCC(=O)[O-])ccc21 ZINC001593772118 954547298 /nfs/dbraw/zinc/54/72/98/954547298.db2.gz WTSGHDNQOMZFMZ-UHFFFAOYSA-N -1 0 305.290 -0.265 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)CC1=O ZINC001593772457 954552759 /nfs/dbraw/zinc/55/27/59/954552759.db2.gz LFTUHLDLEXDYGY-BFVXHGPNSA-N -1 0 310.350 -0.007 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CC1=O ZINC001593772639 954553407 /nfs/dbraw/zinc/55/34/07/954553407.db2.gz NSRJCQFUTUVCMN-UDNWOFFPSA-N -1 0 311.338 -0.907 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)[C@H]3CO[C@@H](CCC(=O)[O-])C3)C[C@H]2C1=O ZINC001593773851 954571321 /nfs/dbraw/zinc/57/13/21/954571321.db2.gz ITIOKZZQHUTZDN-YTWAJWBKSA-N -1 0 324.333 -0.671 20 0 DBADRM C[C@H]1c2nncn2CCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589418726 954580823 /nfs/dbraw/zinc/58/08/23/954580823.db2.gz XYHKJWCOJKKHBY-VIFPVBQESA-N -1 0 317.305 -0.259 20 0 DBADRM C[C@H]1c2nncn2CCN1C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001589418746 954582034 /nfs/dbraw/zinc/58/20/34/954582034.db2.gz YLEFKSCHLCIDOZ-UWVGGRQHSA-N -1 0 321.337 -0.496 20 0 DBADRM CN1C[C@@H](NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCC1=O ZINC001593774369 954582355 /nfs/dbraw/zinc/58/23/55/954582355.db2.gz PYEPPLFNOGSXTD-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM C[NH+]1CCC(O[N-]C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001593778760 954619301 /nfs/dbraw/zinc/61/93/01/954619301.db2.gz XVPOXSRHBGAILQ-LLVKDONJSA-N -1 0 313.354 -0.548 20 0 DBADRM CC[C@@H](C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)N1CCCC1=O ZINC001589426171 954622080 /nfs/dbraw/zinc/62/20/80/954622080.db2.gz FJKVREFHVLGSDU-PGUXBMHVSA-N -1 0 310.350 -0.053 20 0 DBADRM CN1CCC[C@@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)C1=O ZINC001593780375 954646701 /nfs/dbraw/zinc/64/67/01/954646701.db2.gz CAGJWNZCXJJRAK-SNVBAGLBSA-N -1 0 307.306 -0.717 20 0 DBADRM CN1CCC[C@H](NC(=O)NCCOCCOCC(=O)[O-])C1=O ZINC001593780529 954650377 /nfs/dbraw/zinc/65/03/77/954650377.db2.gz GPCKCCGKKUWBFC-JTQLQIEISA-N -1 0 317.342 -0.976 20 0 DBADRM CN1CCC[C@H](NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1=O ZINC001593780781 954657287 /nfs/dbraw/zinc/65/72/87/954657287.db2.gz LFTYBFBDXGZJKO-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1CCN(C(=O)CNC(=O)Nc2cc(C(=O)[O-])ccn2)CC1 ZINC001593781226 954664970 /nfs/dbraw/zinc/66/49/70/954664970.db2.gz JJFNQAKSOTUGIT-UHFFFAOYSA-N -1 0 321.337 -0.325 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@@H](CNS(=O)(=O)N1CCC1)O2 ZINC001594907439 954687613 /nfs/dbraw/zinc/68/76/13/954687613.db2.gz MNLLGOMLOPHOKJ-YZRBJQDESA-N -1 0 304.368 -0.061 20 0 DBADRM CN1CCN(CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CC1=O ZINC001593785428 954699299 /nfs/dbraw/zinc/69/92/99/954699299.db2.gz VAZIQDIBWMZCFV-LBPRGKRZSA-N -1 0 311.382 -0.136 20 0 DBADRM CN1CCN(c2cc(N3CC[C@H](C(=O)[O-])C3)ncn2)CC1=O ZINC001593786752 954707938 /nfs/dbraw/zinc/70/79/38/954707938.db2.gz GGVAXQPLECNUIK-JTQLQIEISA-N -1 0 305.338 -0.334 20 0 DBADRM CN1CCn2c(CCNC(=O)CCCC(=O)[O-])nnc2C1=O ZINC001593786821 954710121 /nfs/dbraw/zinc/71/01/21/954710121.db2.gz PPHMDGQKXDWTJD-UHFFFAOYSA-N -1 0 309.326 -0.723 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C1 ZINC001593787520 954725012 /nfs/dbraw/zinc/72/50/12/954725012.db2.gz NHQZRSZZXICTIB-OUAUKWLOSA-N -1 0 306.384 -0.510 20 0 DBADRM CN1CCOC[C@]1(CO)CNC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001593787580 954726016 /nfs/dbraw/zinc/72/60/16/954726016.db2.gz PVPDVMLLKQVRCD-CQSZACIVSA-N -1 0 324.337 -0.406 20 0 DBADRM CN1CCOC[C@@]1(CO)CNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001593787636 954728766 /nfs/dbraw/zinc/72/87/66/954728766.db2.gz SXDWIPLPUFQSAF-AWEZNQCLSA-N -1 0 324.337 -0.406 20 0 DBADRM CN1N=C(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CCC1=O ZINC001593787857 954730923 /nfs/dbraw/zinc/73/09/23/954730923.db2.gz CUWZKWYTIZYIRW-SNVBAGLBSA-N -1 0 324.337 -0.824 20 0 DBADRM CC[C@@H](C(=O)[O-])N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001589442570 954731043 /nfs/dbraw/zinc/73/10/43/954731043.db2.gz BVQOJACXXQJANT-ZJUUUORDSA-N -1 0 306.384 -0.525 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)C1 ZINC001594914516 954731358 /nfs/dbraw/zinc/73/13/58/954731358.db2.gz IDQRBNVIUFSYFD-GGZOMVNGSA-N -1 0 319.317 -0.110 20 0 DBADRM CC[C@H](C(=O)[O-])N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001589442567 954732001 /nfs/dbraw/zinc/73/20/01/954732001.db2.gz BVQOJACXXQJANT-VHSXEESVSA-N -1 0 306.384 -0.525 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])C1=O ZINC001593787982 954732551 /nfs/dbraw/zinc/73/25/51/954732551.db2.gz XXQKZRWSXMSTDK-NWDGAFQWSA-N -1 0 322.317 -0.639 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)CCCCS(N)(=O)=O ZINC001589442950 954734999 /nfs/dbraw/zinc/73/49/99/954734999.db2.gz XXNYHYOAFPMRFU-MRVPVSSYSA-N -1 0 316.401 -0.820 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)C1 ZINC001594914967 954737063 /nfs/dbraw/zinc/73/70/63/954737063.db2.gz BXEGFGUVQLDYPI-QJPTWQEYSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3=O)C2)C1 ZINC001594914951 954738033 /nfs/dbraw/zinc/73/80/33/954738033.db2.gz BQHLYVIYKQAUMN-MNOVXSKESA-N -1 0 323.349 -0.857 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001593791246 954758861 /nfs/dbraw/zinc/75/88/61/954758861.db2.gz UTLDXDYZIZEHIB-UHFFFAOYSA-N -1 0 321.333 -0.357 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@@H](OC)C(=O)[O-])c2ccccc2O1 ZINC001593791534 954759593 /nfs/dbraw/zinc/75/95/93/954759593.db2.gz ACHPDIRBVQZFRC-WDEREUQCSA-N -1 0 308.290 -0.374 20 0 DBADRM CNC(=O)CC(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC001593791581 954760128 /nfs/dbraw/zinc/76/01/28/954760128.db2.gz DQFFIHDNOWYDQW-UWVGGRQHSA-N -1 0 308.338 -0.427 20 0 DBADRM CNC(=O)CC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001593791580 954760149 /nfs/dbraw/zinc/76/01/49/954760149.db2.gz DQFFIHDNOWYDQW-NXEZZACHSA-N -1 0 308.338 -0.427 20 0 DBADRM CNC(=O)COc1cccc(CC(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001593792764 954768909 /nfs/dbraw/zinc/76/89/09/954768909.db2.gz BSKFLWUSZXHRKU-OAHLLOKOSA-N -1 0 324.333 -0.694 20 0 DBADRM CNC(=O)OC[C@@H]1CCCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001593793301 954779057 /nfs/dbraw/zinc/77/90/57/954779057.db2.gz OLPIAUHWLLNIEO-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM CC[C@H]1[C@H](CO)CCN1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000386267480 972040783 /nfs/dbraw/zinc/04/07/83/972040783.db2.gz LONWKPSFYJUFLK-ONGXEEELSA-N -1 0 311.342 -0.221 20 0 DBADRM CNC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001593793445 954782486 /nfs/dbraw/zinc/78/24/86/954782486.db2.gz PJUZTGYEWCBVCD-LBPRGKRZSA-N -1 0 319.317 -0.009 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1C ZINC001593793762 954787862 /nfs/dbraw/zinc/78/78/62/954787862.db2.gz WMLAZWBXKLEGLH-MRVPVSSYSA-N -1 0 309.282 -0.894 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H](CO)C2CCCC2)cn1 ZINC000386282524 972041824 /nfs/dbraw/zinc/04/18/24/972041824.db2.gz RHUKYCJBDUMIFB-LLVKDONJSA-N -1 0 317.367 -0.203 20 0 DBADRM CNC(=O)NC(=O)COC(=O)C1(C(=O)[O-])CCSCC1 ZINC001593795424 954807083 /nfs/dbraw/zinc/80/70/83/954807083.db2.gz WCHIGABWJXCHCX-UHFFFAOYSA-N -1 0 304.324 -0.417 20 0 DBADRM CNC(=O)NC[C@H]1CCCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001593795571 954807886 /nfs/dbraw/zinc/80/78/86/954807886.db2.gz YDKLKHVGANGNBA-SNVBAGLBSA-N -1 0 321.399 -0.731 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC001593795613 954808700 /nfs/dbraw/zinc/80/87/00/954808700.db2.gz ZMWNEWLBDCXOBK-HBNTYKKESA-N -1 0 313.354 -0.356 20 0 DBADRM CC[C@](C)(CCO)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589452278 954811845 /nfs/dbraw/zinc/81/18/45/954811845.db2.gz RHAXYBAVCKJKMW-IINYFYTJSA-N -1 0 300.355 -0.023 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])c(OC)c1 ZINC001593796854 954812110 /nfs/dbraw/zinc/81/21/10/954812110.db2.gz MZUOFOCMFIMKKO-UHFFFAOYSA-N -1 0 309.278 -0.806 20 0 DBADRM CNC(=O)c1ccc(CNC(=O)c2cn(CC(=O)[O-])nn2)cc1 ZINC001593796979 954814561 /nfs/dbraw/zinc/81/45/61/954814561.db2.gz SXGAEMJPSIKTDL-UHFFFAOYSA-N -1 0 317.305 -0.348 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H](C)CC(=O)[O-])C1 ZINC001593797513 954818585 /nfs/dbraw/zinc/81/85/85/954818585.db2.gz LWFLPALGYLOXIE-IUCAKERBSA-N -1 0 307.372 -0.427 20 0 DBADRM CNS(=O)(=O)C1CCN(Cc2cc(C(=O)[O-])nn2C)CC1 ZINC001593798053 954826283 /nfs/dbraw/zinc/82/62/83/954826283.db2.gz IFXYOSQOJMTTBK-UHFFFAOYSA-N -1 0 316.383 -0.368 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(Cc2cc(C(=O)[O-])nn2C)C1 ZINC001593798213 954829315 /nfs/dbraw/zinc/82/93/15/954829315.db2.gz OIWUSYPLXYZLJW-VIFPVBQESA-N -1 0 302.356 -0.758 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(Cc2c(C(=O)[O-])cnn2C)C1 ZINC001593798379 954832533 /nfs/dbraw/zinc/83/25/33/954832533.db2.gz VZIKHQWKMHQJJW-MRVPVSSYSA-N -1 0 302.356 -0.758 20 0 DBADRM CNC(=O)c1cccc(C(=O)Nc2ncn(CC(=O)[O-])n2)c1 ZINC001593798419 954832809 /nfs/dbraw/zinc/83/28/09/954832809.db2.gz BSEDGFKHQYUJPK-UHFFFAOYSA-N -1 0 303.278 -0.025 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)co1 ZINC001593798918 954843977 /nfs/dbraw/zinc/84/39/77/954843977.db2.gz HSYTZUOOGPFTJV-FKQCQYRASA-N -1 0 302.308 -0.219 20 0 DBADRM CNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC001593801609 954852426 /nfs/dbraw/zinc/85/24/26/954852426.db2.gz GQVUEPVZVBYLOT-QMMMGPOBSA-N -1 0 300.336 -0.274 20 0 DBADRM CNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)C(=O)[O-])cc1 ZINC001593801607 954852699 /nfs/dbraw/zinc/85/26/99/954852699.db2.gz GQVUEPVZVBYLOT-MRVPVSSYSA-N -1 0 300.336 -0.274 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@H](CO)c2ncc[nH]2)CC1 ZINC001594935349 954853712 /nfs/dbraw/zinc/85/37/12/954853712.db2.gz OZXDGCYCBDJNHW-SECBINFHSA-N -1 0 318.355 -0.926 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2C[C@H](O)C23CCC3)CC1 ZINC001594935706 954859037 /nfs/dbraw/zinc/85/90/37/954859037.db2.gz VXXWYDLUTLCQOX-MNOVXSKESA-N -1 0 318.395 -0.079 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCO[C@H](CF)C2)CC1 ZINC001594935781 954859634 /nfs/dbraw/zinc/85/96/34/954859634.db2.gz YRSWSFYDMBENHL-SNVBAGLBSA-N -1 0 310.347 -0.302 20 0 DBADRM COC(=O)C(C)(C)NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593803917 954874305 /nfs/dbraw/zinc/87/43/05/954874305.db2.gz DHPLQWIAUBZTAC-UHFFFAOYSA-N -1 0 309.278 -0.214 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2CCC(=O)N2CCCCC2)C1 ZINC001594940282 954877481 /nfs/dbraw/zinc/87/74/81/954877481.db2.gz ARSNNVKHZBTIPI-LLVKDONJSA-N -1 0 322.369 -0.013 20 0 DBADRM O=C([O-])[C@H]1CCN(c2nnnn2CCCO[C@H]2CCOC2)C1 ZINC001594940271 954877799 /nfs/dbraw/zinc/87/77/99/954877799.db2.gz APKUWFKAFWAVIW-QWRGUYRKSA-N -1 0 311.342 -0.220 20 0 DBADRM COC(=O)C(=O)[C@@H](C)OC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001593804172 954879916 /nfs/dbraw/zinc/87/99/16/954879916.db2.gz GTAVYAAKAVWCEM-MRVPVSSYSA-N -1 0 302.279 -0.068 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCOC3(CCC3)C2)CCO1 ZINC001594940497 954881553 /nfs/dbraw/zinc/88/15/53/954881553.db2.gz HPRWOCSLTDLUSS-SNVBAGLBSA-N -1 0 312.322 -0.920 20 0 DBADRM O=C([O-])C1CN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)C1 ZINC001594941570 954901040 /nfs/dbraw/zinc/90/10/40/954901040.db2.gz UMNLAUULIFBQGV-MNOVXSKESA-N -1 0 305.290 -0.500 20 0 DBADRM COC(=O)[C@H](CCC1OCCO1)NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001593806485 954909939 /nfs/dbraw/zinc/90/99/39/954909939.db2.gz HXXFHENKFIZILH-ONGXEEELSA-N -1 0 315.322 -0.092 20 0 DBADRM COC(=O)[C@H](CCC1OCCO1)NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001593806480 954910302 /nfs/dbraw/zinc/91/03/02/954910302.db2.gz HXXFHENKFIZILH-GXSJLCMTSA-N -1 0 315.322 -0.092 20 0 DBADRM CC[C@H](C[C@H](C)O)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589467463 954913330 /nfs/dbraw/zinc/91/33/30/954913330.db2.gz TXZNSPFRYHTEMY-HBNTYKKESA-N -1 0 300.355 -0.025 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCC[C@@H]2CCCS2(=O)=O)CCO1 ZINC001594946166 954913795 /nfs/dbraw/zinc/91/37/95/954913795.db2.gz CHSMMLRETZYLGY-UWVGGRQHSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])C1CN(C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)C1 ZINC001594947191 954920046 /nfs/dbraw/zinc/92/00/46/954920046.db2.gz CEVHKJCNQIYYLG-UHFFFAOYSA-N -1 0 303.274 -0.355 20 0 DBADRM COC(=O)[C@@H](CC1CCOCC1)NC(=O)[C@@H](OC)C(=O)[O-] ZINC001593808811 954920494 /nfs/dbraw/zinc/92/04/94/954920494.db2.gz XEGAXXDWNMYYSW-NXEZZACHSA-N -1 0 303.311 -0.440 20 0 DBADRM CCNC(=O)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000386424455 972053164 /nfs/dbraw/zinc/05/31/64/972053164.db2.gz BQJGMRHOBJGMER-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001593809955 954925482 /nfs/dbraw/zinc/92/54/82/954925482.db2.gz CORGNQXZDKIVGK-ISVAXAHUSA-N -1 0 310.310 -0.563 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1CC1 ZINC001593810362 954930541 /nfs/dbraw/zinc/93/05/41/954930541.db2.gz DHMGNILCQYOUDI-DTWKUNHWSA-N -1 0 306.340 -0.679 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001589473729 954938545 /nfs/dbraw/zinc/93/85/45/954938545.db2.gz JQNKHCBMGVKYQA-NSHDSACASA-N -1 0 307.368 -0.457 20 0 DBADRM COC(=O)[C@H](Cc1cncs1)NC(=O)[C@@H](OC)C(=O)[O-] ZINC001593811071 954938542 /nfs/dbraw/zinc/93/85/42/954938542.db2.gz MPNWENGNNIAURD-JGVFFNPUSA-N -1 0 302.308 -0.557 20 0 DBADRM COC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(C(=O)[O-])cn1 ZINC001593811093 954939326 /nfs/dbraw/zinc/93/93/26/954939326.db2.gz MXJXIEBKONHVHF-NSHDSACASA-N -1 0 318.289 -0.052 20 0 DBADRM COC(=O)[C@@H](CNC(=O)c1cnc(C(=O)[O-])cn1)[C@@H]1CCOC1 ZINC001593811581 954945602 /nfs/dbraw/zinc/94/56/02/954945602.db2.gz QVWWKKBYBKDPQF-BDAKNGLRSA-N -1 0 323.305 -0.270 20 0 DBADRM COC(=O)[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1cccnc1 ZINC001593811653 954946986 /nfs/dbraw/zinc/94/69/86/954946986.db2.gz SEXJOZQODMXUCT-VHSXEESVSA-N -1 0 307.262 -0.359 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)CNC(=O)c2cccs2)CC1 ZINC000386468579 972055952 /nfs/dbraw/zinc/05/59/52/972055952.db2.gz OPXKWNKDAXECTE-UHFFFAOYSA-N -1 0 312.347 -0.084 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C(C)C ZINC001593811986 954952523 /nfs/dbraw/zinc/95/25/23/954952523.db2.gz WTYYKPUZJOJYIJ-NSHDSACASA-N -1 0 310.306 -0.140 20 0 DBADRM COC(=O)[C@@H](Cn1cncn1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593812102 954954083 /nfs/dbraw/zinc/95/40/83/954954083.db2.gz YLZFXGYSPFAQFI-IVZWLZJFSA-N -1 0 310.310 -0.563 20 0 DBADRM COC(=O)[C@]1(OC)CCN(CN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC001593813823 954978346 /nfs/dbraw/zinc/97/83/46/954978346.db2.gz IKZJXNLVIHZPOQ-RNCFNFMXSA-N -1 0 300.311 -0.859 20 0 DBADRM COC(=O)C1(CNC(=O)[C@]2(C(=O)[O-])CCCO2)CCOCC1 ZINC001593813956 954978908 /nfs/dbraw/zinc/97/89/08/954978908.db2.gz NHLGEBONYZDVLR-AWEZNQCLSA-N -1 0 315.322 -0.294 20 0 DBADRM COC(=O)C1(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001593814216 954982496 /nfs/dbraw/zinc/98/24/96/954982496.db2.gz LDDOZDBKAQKSDW-UHFFFAOYSA-N -1 0 306.340 -0.677 20 0 DBADRM COC(=O)C1(NC(=O)CCCC(=O)[O-])CCS(=O)(=O)CC1 ZINC001593814800 954991796 /nfs/dbraw/zinc/99/17/96/954991796.db2.gz SUELTMDRNUSXSL-UHFFFAOYSA-N -1 0 321.351 -0.522 20 0 DBADRM COC(=O)C1(NC(=O)c2cccn(CC(=O)[O-])c2=O)CCC1 ZINC001593814804 954993080 /nfs/dbraw/zinc/99/30/80/954993080.db2.gz TVWIDPHFZKMVHR-UHFFFAOYSA-N -1 0 308.290 -0.242 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(Cn2ccnn2)o1 ZINC001594957736 954994208 /nfs/dbraw/zinc/99/42/08/954994208.db2.gz ZLQIVACLWSATIA-SNVBAGLBSA-N -1 0 306.278 -0.155 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC1(Cl)Cl ZINC001594959801 955002696 /nfs/dbraw/zinc/00/26/96/955002696.db2.gz FWVKBCVIHUAASV-WDSKDSINSA-N -1 0 316.162 -0.110 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C\[C@@H]1CCCO1 ZINC001594959898 955004177 /nfs/dbraw/zinc/00/41/77/955004177.db2.gz JGNLRMGLAMDZMQ-CMIOBCHKSA-N -1 0 303.336 -0.568 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCCOCC1 ZINC001594959988 955005875 /nfs/dbraw/zinc/00/58/75/955005875.db2.gz LRRRYXVMDHXAMZ-UWVGGRQHSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C/c1cccnc1 ZINC001594960142 955007801 /nfs/dbraw/zinc/00/78/01/955007801.db2.gz QHEPPATYEZBXRS-UFFNRZRYSA-N -1 0 310.331 -0.195 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001594960304 955009450 /nfs/dbraw/zinc/00/94/50/955009450.db2.gz VOPHCPAYHZKVJN-MRTMQBJTSA-N -1 0 313.335 -0.777 20 0 DBADRM CCC(CC)(CNC(=O)NC[C@H](O)CS(C)(=O)=O)C(=O)[O-] ZINC001589493449 955013622 /nfs/dbraw/zinc/01/36/22/955013622.db2.gz GSPWZDLDMVRNIS-VIFPVBQESA-N -1 0 324.399 -0.418 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(O)cc1F ZINC001594960922 955016662 /nfs/dbraw/zinc/01/66/62/955016662.db2.gz HACARPCTLXJXPM-SNVBAGLBSA-N -1 0 317.294 -0.145 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1nccc2[nH]ccc21 ZINC001594961432 955019268 /nfs/dbraw/zinc/01/92/68/955019268.db2.gz LGZKLWCLYCOACP-JTQLQIEISA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ncccc1O ZINC001594961464 955019469 /nfs/dbraw/zinc/01/94/69/955019469.db2.gz LNRFYXNKCHJKGW-SSDOTTSWSA-N -1 0 300.292 -0.889 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc2n[nH]cc2c1 ZINC001594961957 955020315 /nfs/dbraw/zinc/02/03/15/955020315.db2.gz OZDVMQVBICVABK-LLVKDONJSA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cnc2ccccn12 ZINC001594961910 955021016 /nfs/dbraw/zinc/02/10/16/955021016.db2.gz OKOIPMDQCBSUAK-SNVBAGLBSA-N -1 0 323.330 -0.342 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@H]1CC2(CC2)C(=O)O1 ZINC001594962277 955022267 /nfs/dbraw/zinc/02/22/67/955022267.db2.gz QSNXNOCISDSGRW-BDAKNGLRSA-N -1 0 303.336 -0.734 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(O)c1F ZINC001594963181 955028184 /nfs/dbraw/zinc/02/81/84/955028184.db2.gz YIBUNESVUPIFKZ-QMMMGPOBSA-N -1 0 317.294 -0.145 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N(CC(C)(C)O)C1CC1)C(=O)[O-] ZINC001589514625 955059080 /nfs/dbraw/zinc/05/90/80/955059080.db2.gz MCGNGDLPKKUUPI-SECBINFHSA-N -1 0 300.355 -0.025 20 0 DBADRM CC[C@H](CNC(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)C(=O)[O-] ZINC001589517318 955070619 /nfs/dbraw/zinc/07/06/19/955070619.db2.gz IWDVJWTUKZMHFX-ZJUUUORDSA-N -1 0 315.370 -0.380 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCOC[C@@H]1COC)C(=O)[O-] ZINC001589517234 955071115 /nfs/dbraw/zinc/07/11/15/955071115.db2.gz CRBRYEGMQBYSEU-UWVGGRQHSA-N -1 0 302.327 -0.913 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N[C@H](C)CN1CCOCC1)C(=O)[O-] ZINC001589517584 955074666 /nfs/dbraw/zinc/07/46/66/955074666.db2.gz HPTGTMRKDWRLSQ-GHMZBOCLSA-N -1 0 315.370 -0.950 20 0 DBADRM O=C([O-])/C=C\c1cc(C(=O)NC[C@@]2(CO)COCCN2)co1 ZINC001594968721 955083034 /nfs/dbraw/zinc/08/30/34/955083034.db2.gz BNXZWGDJKVRWKZ-DDGIKZQJSA-N -1 0 310.306 -0.542 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCC[C@](C)(CO)C1)C(=O)[O-] ZINC001589519348 955086731 /nfs/dbraw/zinc/08/67/31/955086731.db2.gz RSSMTYVCOIICKS-HZMBPMFUSA-N -1 0 300.355 -0.166 20 0 DBADRM COC(=O)C1CC2(C1)CN(Cc1nncn1C)C[C@@H]2C(=O)[O-] ZINC001593825272 955099603 /nfs/dbraw/zinc/09/96/03/955099603.db2.gz GTAAILSWLHBJPP-OPASDULOSA-N -1 0 308.338 -0.099 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H](OC)C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001593827972 955119351 /nfs/dbraw/zinc/11/93/51/955119351.db2.gz BMVCIVFDTQPYSX-HLTSFMKQSA-N -1 0 317.294 -0.961 20 0 DBADRM CC[C@H](CNC(=O)CN1CCC[C@H](C(=O)OC)C1=O)C(=O)[O-] ZINC001589526306 955120010 /nfs/dbraw/zinc/12/00/10/955120010.db2.gz RGACAEJXUGWEAI-ZJUUUORDSA-N -1 0 314.338 -0.375 20 0 DBADRM COCC[C@H](COC)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000386638309 972070725 /nfs/dbraw/zinc/07/07/25/972070725.db2.gz AGTFCMPWGQQKHF-GHMZBOCLSA-N -1 0 304.343 -0.077 20 0 DBADRM CC[C@H](CNC(=O)N1CCC(CS(N)(=O)=O)CC1)C(=O)[O-] ZINC001589527092 955129248 /nfs/dbraw/zinc/12/92/48/955129248.db2.gz UTYNPKKTAJTUSN-SNVBAGLBSA-N -1 0 321.399 -0.193 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001593828977 955131413 /nfs/dbraw/zinc/13/14/13/955131413.db2.gz OLYGOTBBKXIOFW-SNVBAGLBSA-N -1 0 318.326 -0.691 20 0 DBADRM COC(=O)[C@H]1Cc2ccc(O)cc2CN1CC(=O)NCC(=O)[O-] ZINC001593829725 955140732 /nfs/dbraw/zinc/14/07/32/955140732.db2.gz ISPPHSPRFCSUOT-GFCCVEGCSA-N -1 0 322.317 -0.507 20 0 DBADRM CC[C@H](CNC(=O)NCC(C)(C)CS(N)(=O)=O)C(=O)[O-] ZINC001589533560 955147449 /nfs/dbraw/zinc/14/74/49/955147449.db2.gz BEAVFWJSNHTKGP-MRVPVSSYSA-N -1 0 309.388 -0.289 20 0 DBADRM COC(=O)C[C@@H](C)N1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001593831788 955157781 /nfs/dbraw/zinc/15/77/81/955157781.db2.gz KOCKVQOCZULTFE-SECBINFHSA-N -1 0 324.337 -0.183 20 0 DBADRM COC(=O)C[C@@H](C)N1CCN(C(=O)COCC(=O)[O-])CC1 ZINC001593832117 955161875 /nfs/dbraw/zinc/16/18/75/955161875.db2.gz VLLLIBFLHRJCBI-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM COC(=O)CC1(NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001593832590 955165716 /nfs/dbraw/zinc/16/57/16/955165716.db2.gz CZJDTTWHFKSMPO-UHFFFAOYSA-N -1 0 324.293 -0.882 20 0 DBADRM COC(=O)CC1(NC(=O)[C@@H](C)C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593832676 955166108 /nfs/dbraw/zinc/16/61/08/955166108.db2.gz GEZIDZXFTVAZKV-MRVPVSSYSA-N -1 0 321.351 -0.666 20 0 DBADRM CC[C@H](CNC(=O)NCCC(=O)NCCC(=O)OC)C(=O)[O-] ZINC001589537667 955172799 /nfs/dbraw/zinc/17/27/99/955172799.db2.gz JZIUZLYTPGPLJH-SECBINFHSA-N -1 0 317.342 -0.534 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H](OC)c1cnn(C)c1 ZINC001593836097 955313624 /nfs/dbraw/zinc/31/36/24/955313624.db2.gz QIIPEKKXKYLDFQ-LBPRGKRZSA-N -1 0 313.310 -0.416 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC001594500048 955316270 /nfs/dbraw/zinc/31/62/70/955316270.db2.gz JGXPJRJZYLTZMU-SCZZXKLOSA-N -1 0 324.337 -0.394 20 0 DBADRM COC(=O)C[C@@H]1CSCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001593836623 955318193 /nfs/dbraw/zinc/31/81/93/955318193.db2.gz CPLCPSIDTKPHDF-NXEZZACHSA-N -1 0 316.379 -0.348 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CCCO2)CCO1 ZINC001593837682 955325047 /nfs/dbraw/zinc/32/50/47/955325047.db2.gz WSZYPDBJBTZQJO-RNCFNFMXSA-N -1 0 301.295 -0.589 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC001589001395 955328482 /nfs/dbraw/zinc/32/84/82/955328482.db2.gz OHYGIVCRMILBOO-SSDOTTSWSA-N -1 0 322.321 -0.831 20 0 DBADRM Cc1noc(C2CN(C(=O)c3cccn(CC(=O)[O-])c3=O)C2)n1 ZINC001594502948 955338836 /nfs/dbraw/zinc/33/88/36/955338836.db2.gz PXEIKRIGCBRYNE-UHFFFAOYSA-N -1 0 318.289 -0.136 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CCCCS1(=O)=O ZINC001593839468 955343016 /nfs/dbraw/zinc/34/30/16/955343016.db2.gz ISXJVBOPWYICKF-VIFPVBQESA-N -1 0 321.351 -0.570 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001593839816 955349419 /nfs/dbraw/zinc/34/94/19/955349419.db2.gz XJZNOQAGDRECEG-LLVKDONJSA-N -1 0 314.338 -0.279 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CCn2cncc2C1 ZINC001593839862 955349515 /nfs/dbraw/zinc/34/95/15/955349515.db2.gz ZUYZGYSVYAOGEE-JTQLQIEISA-N -1 0 309.322 -0.078 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=S)NC1CCOCC1 ZINC001593840912 955361488 /nfs/dbraw/zinc/36/14/88/955361488.db2.gz IKOANIPGJHAXPV-UHFFFAOYSA-N -1 0 304.368 -0.010 20 0 DBADRM COC(=O)CC[C@H](NC(=O)Cc1nc(C2CC2)nn1C)C(=O)[O-] ZINC001593844004 955389229 /nfs/dbraw/zinc/38/92/29/955389229.db2.gz HWPDYXUJJDGBSM-VIFPVBQESA-N -1 0 324.337 -0.242 20 0 DBADRM COC(=O)CC[C@H](NC(=O)C[C@@H]1CCC(=O)N1C)C(=O)[O-] ZINC001593845613 955410290 /nfs/dbraw/zinc/41/02/90/955410290.db2.gz HTYDBJJROYCMGQ-IUCAKERBSA-N -1 0 300.311 -0.480 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC000386972383 972093975 /nfs/dbraw/zinc/09/39/75/972093975.db2.gz XPAJKADYXWCYNO-WCBMZHEXSA-N -1 0 309.326 -0.688 20 0 DBADRM Cn1c2cc(O)c(NC(=O)COCC(=O)[O-])cc2n(C)c1=O ZINC001594517119 955417746 /nfs/dbraw/zinc/41/77/46/955417746.db2.gz ABWVOGGINLSMEB-UHFFFAOYSA-N -1 0 309.278 -0.378 20 0 DBADRM C[C@@H](CCCCO)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589014709 955425055 /nfs/dbraw/zinc/42/50/55/955425055.db2.gz UNZJUQGAJTVAEU-JTQLQIEISA-N -1 0 321.395 -0.067 20 0 DBADRM C[C@H](CCO)CNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589015549 955433257 /nfs/dbraw/zinc/43/32/57/955433257.db2.gz QMTNIJPELUDSTC-GHMZBOCLSA-N -1 0 315.370 -0.230 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccn2)CCC1=O ZINC000387001437 972095927 /nfs/dbraw/zinc/09/59/27/972095927.db2.gz FKYDJWWXFAWFCQ-VIFPVBQESA-N -1 0 313.335 -0.321 20 0 DBADRM C[C@H](CCO)CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589015920 955437757 /nfs/dbraw/zinc/43/77/57/955437757.db2.gz ZWUDDCKCLUNCAN-QWRGUYRKSA-N -1 0 300.355 -0.166 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1nccn2ccnc12)C(=O)[O-] ZINC001593848594 955438840 /nfs/dbraw/zinc/43/88/40/955438840.db2.gz LRLZZWFSVRVSAZ-QMMMGPOBSA-N -1 0 306.278 -0.135 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC001589019183 955447960 /nfs/dbraw/zinc/44/79/60/955447960.db2.gz ATWFVYPIRVEAPE-JTQLQIEISA-N -1 0 314.338 -0.469 20 0 DBADRM C[C@H](CN(C)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001589019305 955449192 /nfs/dbraw/zinc/44/91/92/955449192.db2.gz FXNSRVWPZUVQLE-NXEZZACHSA-N -1 0 306.384 -0.716 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1C[C@H](O)CC(F)(F)C1)C(=O)[O-] ZINC001589019470 955451852 /nfs/dbraw/zinc/45/18/52/955451852.db2.gz DPUYTPMMRUPDBR-JGVFFNPUSA-N -1 0 308.281 -0.606 20 0 DBADRM COC(=O)CN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(C)C ZINC001593850644 955452114 /nfs/dbraw/zinc/45/21/14/955452114.db2.gz MZLDZSVGJFSSKH-JTQLQIEISA-N -1 0 314.338 -0.280 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NC1COC(C)(C)OC1)C(=O)[O-] ZINC001589019495 955452373 /nfs/dbraw/zinc/45/23/73/955452373.db2.gz FROKFJRMLQTIMK-MRVPVSSYSA-N -1 0 302.327 -0.567 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NCC[C@@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC001589019515 955452317 /nfs/dbraw/zinc/45/23/17/955452317.db2.gz GHMQYCJEDAVWQI-VHSXEESVSA-N -1 0 313.354 -0.850 20 0 DBADRM Cn1c(=O)cc(COC(=O)[C@@H](C(=O)[O-])C(C)(C)C)n(C)c1=O ZINC001594520350 955454458 /nfs/dbraw/zinc/45/44/58/955454458.db2.gz SGSOXGAKRXJAAC-SNVBAGLBSA-N -1 0 312.322 -0.126 20 0 DBADRM COC(=O)CN(C(=O)c1cn(CC(=O)[O-])nn1)C1CCCC1 ZINC001593850695 955454738 /nfs/dbraw/zinc/45/47/38/955454738.db2.gz PVGJBTMGGQOXCZ-UHFFFAOYSA-N -1 0 310.310 -0.080 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCN(CC(F)F)CC1)C(=O)[O-] ZINC001589019667 955454989 /nfs/dbraw/zinc/45/49/89/955454989.db2.gz HSAFMZSNIAEIRQ-SECBINFHSA-N -1 0 321.324 -0.425 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCN(CC(F)F)CC1)C(=O)[O-] ZINC001589019668 955455095 /nfs/dbraw/zinc/45/50/95/955455095.db2.gz HSAFMZSNIAEIRQ-VIFPVBQESA-N -1 0 321.324 -0.425 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)c1cnc(C(=O)[O-])cn1 ZINC001593850853 955455314 /nfs/dbraw/zinc/45/53/14/955455314.db2.gz SVFHDDFVPAVGDQ-LURJTMIESA-N -1 0 311.250 -0.991 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CC[C@@H](n2cccn2)C1)C(=O)[O-] ZINC001589019660 955455548 /nfs/dbraw/zinc/45/55/48/955455548.db2.gz HECLDJDYYIETEL-WDEREUQCSA-N -1 0 308.338 -0.164 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NCC1([S@@](C)=O)CCC1)C(=O)[O-] ZINC001589019703 955457482 /nfs/dbraw/zinc/45/74/82/955457482.db2.gz IRHNCWFJOFWAOL-AOUSDQRYSA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NCC1([S@@](C)=O)CCC1)C(=O)[O-] ZINC001589019706 955457658 /nfs/dbraw/zinc/45/76/58/955457658.db2.gz IRHNCWFJOFWAOL-JLTPVHFHSA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@@]2(CO)CCC[C@@H]12)C(=O)[O-] ZINC001589019694 955457743 /nfs/dbraw/zinc/45/77/43/955457743.db2.gz ILOLDQDZAXYIPU-UEKVPHQBSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1nnn[n-]1 ZINC001589019861 955460473 /nfs/dbraw/zinc/46/04/73/955460473.db2.gz WWPBMICZKSBNNW-BDAKNGLRSA-N -1 0 324.341 -0.915 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@@H]1CCC[C@@H]1CCO)C(=O)[O-] ZINC001589019967 955462082 /nfs/dbraw/zinc/46/20/82/955462082.db2.gz MDBOPBRIZMPKDN-GMTAPVOTSA-N -1 0 300.355 -0.167 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001594522037 955463445 /nfs/dbraw/zinc/46/34/45/955463445.db2.gz OVMGXBGUTBATRT-ZETCQYMHSA-N -1 0 315.355 -0.859 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@H](CCCO)C1)C(=O)[O-] ZINC001589020515 955466080 /nfs/dbraw/zinc/46/60/80/955466080.db2.gz UJXAUDSCYDYDTN-MNOVXSKESA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)[O-] ZINC001589020901 955469795 /nfs/dbraw/zinc/46/97/95/955469795.db2.gz OUZGBPMSOMOJMC-JTQLQIEISA-N -1 0 310.354 -0.050 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[S@@](=O)[C@@H](C)[C@H]1C)C(=O)[O-] ZINC001589021240 955471657 /nfs/dbraw/zinc/47/16/57/955471657.db2.gz YZAQAEREPVYYBC-IFLNPDNJSA-N -1 0 318.395 -0.467 20 0 DBADRM COC(=O)Cc1csc(NC(=O)NC[C@@](C)(O)C(=O)[O-])n1 ZINC001593854403 955485760 /nfs/dbraw/zinc/48/57/60/955485760.db2.gz YNZJAUFMGVQZKM-LLVKDONJSA-N -1 0 317.323 -0.184 20 0 DBADRM COC(=O)C[C@H](C)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593854989 955490055 /nfs/dbraw/zinc/49/00/55/955490055.db2.gz PVJQTVJUIOMUAS-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM C[C@H](CN(C)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001589023494 955493042 /nfs/dbraw/zinc/49/30/42/955493042.db2.gz LIAPYCMYJHOPET-NXEZZACHSA-N -1 0 321.399 -0.370 20 0 DBADRM Cn1cc(C(=O)C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cn1 ZINC001594525833 955499654 /nfs/dbraw/zinc/49/96/54/955499654.db2.gz NBVXEHQCNITGJW-NSHDSACASA-N -1 0 302.290 -0.190 20 0 DBADRM C[C@H](CN(C)C(=O)c1cc(N2CCNC(=O)C2)ccn1)C(=O)[O-] ZINC001589029120 955516782 /nfs/dbraw/zinc/51/67/82/955516782.db2.gz WIVNOYTYVQLUDW-SNVBAGLBSA-N -1 0 320.349 -0.190 20 0 DBADRM CN(Cc1ccco1)C(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000387088192 972103085 /nfs/dbraw/zinc/10/30/85/972103085.db2.gz RBCPASUJNGIUBH-NSHDSACASA-N -1 0 309.322 -0.487 20 0 DBADRM COC(=O)NCCNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593858309 955520700 /nfs/dbraw/zinc/52/07/00/955520700.db2.gz KSMHLZOLECTPGD-UHFFFAOYSA-N -1 0 310.266 -0.810 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCC(=O)[O-])C[C@H]1C ZINC001593860437 955531073 /nfs/dbraw/zinc/53/10/73/955531073.db2.gz CYKINYDHMSEXHH-RKDXNWHRSA-N -1 0 300.311 -0.813 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)[C@H]3CCNC3=O)C2)cn1 ZINC001594531673 955539603 /nfs/dbraw/zinc/53/96/03/955539603.db2.gz LWHJNZFDCQKPGC-FOGDFJRCSA-N -1 0 320.349 -0.427 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)[C@@H](C)O ZINC001593860877 955540558 /nfs/dbraw/zinc/54/05/58/955540558.db2.gz FNJQLNFXUSIMFX-PELKAZGASA-N -1 0 311.290 -0.198 20 0 DBADRM COC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593860889 955541053 /nfs/dbraw/zinc/54/10/53/955541053.db2.gz GRXPCMROEBHUMY-UWVGGRQHSA-N -1 0 312.322 -0.526 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cn(CC(=O)[O-])nn2)C[C@H]1C1CC1 ZINC001593861131 955545651 /nfs/dbraw/zinc/54/56/51/955545651.db2.gz ZOXOJNZXLYJRQM-VHSXEESVSA-N -1 0 322.321 -0.366 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)[C@@H]3CC(=O)N3)C2)cn1 ZINC001594532981 955549299 /nfs/dbraw/zinc/54/92/99/955549299.db2.gz YRHLPDCCIHQPSG-KKZNHRDASA-N -1 0 306.322 -0.675 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@]2(CCO[C@H]2C)C1)C(=O)[O-] ZINC001589036675 955554607 /nfs/dbraw/zinc/55/46/07/955554607.db2.gz HWPAFRWSAVPBMY-ISTVAULSSA-N -1 0 314.338 -0.770 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)C1(F)F ZINC001593862503 955555704 /nfs/dbraw/zinc/55/57/04/955555704.db2.gz JLMGHKQWBKCLHS-JHYUDYDFSA-N -1 0 306.221 -0.614 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@H](C)c1nnc2n1CCC2)C(=O)[O-] ZINC001589037022 955556319 /nfs/dbraw/zinc/55/63/19/955556319.db2.gz RAQWOZSLSUBEBE-HTQZYQBOSA-N -1 0 309.326 -0.762 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1)C(=O)[O-] ZINC001589037084 955558225 /nfs/dbraw/zinc/55/82/25/955558225.db2.gz VCJUMQWSMTVPDW-HTQZYQBOSA-N -1 0 307.297 -0.721 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCO[C@@]2(CCSC2)C1)C(=O)[O-] ZINC001589037142 955558345 /nfs/dbraw/zinc/55/83/45/955558345.db2.gz WUYYJSVVAPZDNN-ZANVPECISA-N -1 0 316.379 -0.442 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)nnn2C)C(=O)[O-] ZINC001589037097 955558590 /nfs/dbraw/zinc/55/85/90/955558590.db2.gz VNCSRDVVWGQQAK-SSDOTTSWSA-N -1 0 305.294 -0.256 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1)C(=O)[O-] ZINC001589037174 955559482 /nfs/dbraw/zinc/55/94/82/955559482.db2.gz XOLYYSVFSODORU-ISTVAULSSA-N -1 0 314.338 -0.722 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCC(=O)[O-])CC1(C)OCCO1 ZINC001589037230 955560110 /nfs/dbraw/zinc/56/01/10/955560110.db2.gz ZSARHZCMTOPTCA-VIFPVBQESA-N -1 0 302.327 -0.517 20 0 DBADRM C[C@H](CN(C)c1nnnn1CC[C@@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC001589038275 955566789 /nfs/dbraw/zinc/56/67/89/955566789.db2.gz NFJIFEDEBJLPHL-NXEZZACHSA-N -1 0 310.358 -0.302 20 0 DBADRM C[C@H](CN1CCOCC1)N(C)C(=O)c1cnc(C(=O)[O-])cn1 ZINC001589038439 955568463 /nfs/dbraw/zinc/56/84/63/955568463.db2.gz BFHZLRUBYAUJJF-SNVBAGLBSA-N -1 0 308.338 -0.033 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC(O)(C2CCC2)CC1)C(=O)[O-] ZINC001589038932 955576095 /nfs/dbraw/zinc/57/60/95/955576095.db2.gz JPOKNYZQEQQBFF-SNVBAGLBSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC(C2OCCO2)CC1)C(=O)[O-] ZINC001589039900 955587862 /nfs/dbraw/zinc/58/78/62/955587862.db2.gz ULIZXHNTRKAVCA-VIFPVBQESA-N -1 0 314.338 -0.565 20 0 DBADRM Cn1cnc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)n1 ZINC001594538635 955606119 /nfs/dbraw/zinc/60/61/19/955606119.db2.gz MNIPOSNCCAYEEB-VHSXEESVSA-N -1 0 318.337 -0.121 20 0 DBADRM COC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)on1 ZINC001593868157 955606221 /nfs/dbraw/zinc/60/62/21/955606221.db2.gz SPYSFPUSLTUZNF-FUXBKTLASA-N -1 0 310.262 -0.366 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)[C@@H]3COC(=O)N3)C2)cn1 ZINC001594540088 955628619 /nfs/dbraw/zinc/62/86/19/955628619.db2.gz POYQFXXICAGWMA-KKZNHRDASA-N -1 0 322.321 -0.455 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])n[nH]1 ZINC001593874803 955654952 /nfs/dbraw/zinc/65/49/52/955654952.db2.gz MVWCSQWYWASOHC-ZETCQYMHSA-N -1 0 319.339 -0.026 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC001594541816 955660702 /nfs/dbraw/zinc/66/07/02/955660702.db2.gz QXQNVURUDMANEJ-NSHDSACASA-N -1 0 308.338 -0.598 20 0 DBADRM Cn1cc(C[C@H](CO)NC(=O)C2(C(=O)[O-])CCOCC2)cn1 ZINC001594541905 955662382 /nfs/dbraw/zinc/66/23/82/955662382.db2.gz VRRGXACUESMLBX-LLVKDONJSA-N -1 0 311.338 -0.679 20 0 DBADRM Cn1cc(CNC(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cn1 ZINC001594542791 955664942 /nfs/dbraw/zinc/66/49/42/955664942.db2.gz IKLIYIXDRRVKKB-NWDGAFQWSA-N -1 0 320.349 -0.395 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)[nH]1 ZINC001593875791 955667769 /nfs/dbraw/zinc/66/77/69/955667769.db2.gz IYTFKIDEGAOFOW-UHFFFAOYSA-N -1 0 309.278 -0.830 20 0 DBADRM Cn1cc2c(n1)CCC[C@H]2NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001594548520 955699161 /nfs/dbraw/zinc/69/91/61/955699161.db2.gz PPFRATNCFZJJRE-SECBINFHSA-N -1 0 304.310 -0.096 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)cn1 ZINC001594548572 955700725 /nfs/dbraw/zinc/70/07/25/955700725.db2.gz PBVDJQPKKTZHKL-UHFFFAOYSA-N -1 0 310.310 -0.644 20 0 DBADRM Cn1cc(N2CCN(C(=O)c3cn(CC(=O)[O-])nn3)CC2)cn1 ZINC001594548976 955704793 /nfs/dbraw/zinc/70/47/93/955704793.db2.gz WHRJEKBVLQLPFM-UHFFFAOYSA-N -1 0 319.325 -0.941 20 0 DBADRM Cn1ccc(=O)n(CCCNC(=O)[C@]2(C(=O)[O-])CC2(C)C)c1=O ZINC001594549712 955713660 /nfs/dbraw/zinc/71/36/60/955713660.db2.gz PTHQBYNBMSVHOB-HNNXBMFYSA-N -1 0 323.349 -0.446 20 0 DBADRM Cn1ccc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)n1 ZINC001594549704 955713979 /nfs/dbraw/zinc/71/39/79/955713979.db2.gz PNKDZHZNTGXRDH-SNVBAGLBSA-N -1 0 320.349 -0.042 20 0 DBADRM Cn1ccc(=O)n(CCCNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1=O ZINC001594549713 955714155 /nfs/dbraw/zinc/71/41/55/955714155.db2.gz PTHQBYNBMSVHOB-OAHLLOKOSA-N -1 0 323.349 -0.446 20 0 DBADRM Cn1ccc(=O)n(CCCNC(=O)[C@H](C(=O)[O-])C2CC2)c1=O ZINC001594549755 955715266 /nfs/dbraw/zinc/71/52/66/955715266.db2.gz RJBNKQOOEAJORR-LLVKDONJSA-N -1 0 309.322 -0.836 20 0 DBADRM Cn1ccnc(NC(=O)c2cccn(CC(=O)[O-])c2=O)c1=O ZINC001594551641 955731457 /nfs/dbraw/zinc/73/14/57/955731457.db2.gz PCCCPVBCCMGNQE-UHFFFAOYSA-N -1 0 304.262 -0.721 20 0 DBADRM Cn1ccc2ccc(NC(=O)C(=O)NCC(=O)[O-])cc2c1=O ZINC001594552590 955736592 /nfs/dbraw/zinc/73/65/92/955736592.db2.gz GMZPDOBSNUJTHB-UHFFFAOYSA-N -1 0 303.274 -0.322 20 0 DBADRM Cn1cncc1[C@H](CO)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001594557686 955777152 /nfs/dbraw/zinc/77/71/52/955777152.db2.gz SBNRGMGPGZDWOP-JTQLQIEISA-N -1 0 320.305 -0.870 20 0 DBADRM COC(=O)c1cn([C@H]2CCN(C(=O)C(C)(C)C(=O)[O-])C2)nn1 ZINC001593891183 955783641 /nfs/dbraw/zinc/78/36/41/955783641.db2.gz FWZSXVGFOKMBCG-QMMMGPOBSA-N -1 0 310.310 -0.051 20 0 DBADRM Cn1cnnc1[C@H](CO)NC(=O)C1(C(=O)[O-])CCSCC1 ZINC001594558798 955790813 /nfs/dbraw/zinc/79/08/13/955790813.db2.gz VFWPGOIPOSLYFN-QMMMGPOBSA-N -1 0 314.367 -0.437 20 0 DBADRM C[C@H](CO)CCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001589073611 955794305 /nfs/dbraw/zinc/79/43/05/955794305.db2.gz QZIKPPOGHHATFM-IINYFYTJSA-N -1 0 300.355 -0.166 20 0 DBADRM Cn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594560130 955799195 /nfs/dbraw/zinc/79/91/95/955799195.db2.gz YVVMLZAXZSWBKB-WPRPVWTQSA-N -1 0 307.310 -0.249 20 0 DBADRM Cn1nc(Br)c2c1ncn(CC(=O)C(=O)[O-])c2=O ZINC001594560440 955803568 /nfs/dbraw/zinc/80/35/68/955803568.db2.gz LOERGRCXQAAXPM-UHFFFAOYSA-N -1 0 315.083 -0.454 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C1CC1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC001589076185 955813923 /nfs/dbraw/zinc/81/39/23/955813923.db2.gz FQULSQMEFPGFPA-ONGXEEELSA-N -1 0 318.395 -0.431 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC001594563671 955816905 /nfs/dbraw/zinc/81/69/05/955816905.db2.gz GSOWJGGVCCFGJK-ZETCQYMHSA-N -1 0 316.339 -0.989 20 0 DBADRM COC(=O)c1n[nH]c2c1CN(C(=O)CSCC(=O)[O-])CC2 ZINC001593894877 955818972 /nfs/dbraw/zinc/81/89/72/955818972.db2.gz JMMRYPBIEPEHEK-UHFFFAOYSA-N -1 0 313.335 -0.101 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001593900198 955861021 /nfs/dbraw/zinc/86/10/21/955861021.db2.gz BRTNFWKZGIZGQA-BDAKNGLRSA-N -1 0 320.342 -0.570 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001593900200 955861449 /nfs/dbraw/zinc/86/14/49/955861449.db2.gz BRTNFWKZGIZGQA-DTWKUNHWSA-N -1 0 320.342 -0.570 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N(CCC(F)(F)F)C[C@H](O)CO ZINC001593902020 955879290 /nfs/dbraw/zinc/87/92/90/955879290.db2.gz KSENKANUOZLOLS-BQBZGAKWSA-N -1 0 303.233 -0.780 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CC[C@H](CS(C)(=O)=O)C1 ZINC001594571670 955888422 /nfs/dbraw/zinc/88/84/22/955888422.db2.gz CNYFXAZTGWOFJS-VIFPVBQESA-N -1 0 301.368 -0.015 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589084199 955889163 /nfs/dbraw/zinc/88/91/63/955889163.db2.gz YEJCLZGGAFGWRD-QWRGUYRKSA-N -1 0 308.338 -0.289 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC001593904159 955891653 /nfs/dbraw/zinc/89/16/53/955891653.db2.gz BIWYUNNRTBSGIL-VHSXEESVSA-N -1 0 322.383 -0.594 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCOC[C@@H]1C(=O)OC(C)(C)C ZINC001593904889 955900117 /nfs/dbraw/zinc/90/01/17/955900117.db2.gz CRCUDWAPFYUYLU-BDAKNGLRSA-N -1 0 303.311 -0.345 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCOC[C@@H]1C(=O)OC(C)(C)C ZINC001593904892 955900393 /nfs/dbraw/zinc/90/03/93/955900393.db2.gz CRCUDWAPFYUYLU-RKDXNWHRSA-N -1 0 303.311 -0.345 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)c1cnn(C)c1 ZINC001589086334 955903174 /nfs/dbraw/zinc/90/31/74/955903174.db2.gz IIEIBYRQLXSDBP-MRVPVSSYSA-N -1 0 320.309 -0.483 20 0 DBADRM C[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])c1nnc2ccccn21 ZINC001589086711 955907137 /nfs/dbraw/zinc/90/71/37/955907137.db2.gz SSNADSGEZLDLDO-VIFPVBQESA-N -1 0 319.321 -0.160 20 0 DBADRM Cn1nc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)cc1Cl ZINC001594574923 955908465 /nfs/dbraw/zinc/90/84/65/955908465.db2.gz JCLRAMPTLATIPK-ZETCQYMHSA-N -1 0 301.686 -0.084 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001593905518 955908489 /nfs/dbraw/zinc/90/84/89/955908489.db2.gz JCKXUBRGQUOYOF-LLVKDONJSA-N -1 0 323.305 -0.829 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccns1 ZINC001589086875 955908750 /nfs/dbraw/zinc/90/87/50/955908750.db2.gz WNMJBGHONPTDEL-HTQZYQBOSA-N -1 0 313.335 -0.368 20 0 DBADRM C[C@H](NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1)c1ncnn1C ZINC001589086809 955908783 /nfs/dbraw/zinc/90/87/83/955908783.db2.gz VDQNBYUDGGYMBG-IDKOKCKLSA-N -1 0 323.353 -0.248 20 0 DBADRM Cn1nc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)cc1Cl ZINC001594574921 955908781 /nfs/dbraw/zinc/90/87/81/955908781.db2.gz JCLRAMPTLATIPK-SSDOTTSWSA-N -1 0 301.686 -0.084 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccns1 ZINC001589086878 955908874 /nfs/dbraw/zinc/90/88/74/955908874.db2.gz WNMJBGHONPTDEL-SFYZADRCSA-N -1 0 313.335 -0.368 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC(C(=O)[O-])CC1)c1ccnn1C ZINC001589086874 955908911 /nfs/dbraw/zinc/90/89/11/955908911.db2.gz WLAJQUQPPRTHEX-VIFPVBQESA-N -1 0 308.338 -0.080 20 0 DBADRM Cn1nc(C2CC2)cc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001594575589 955914664 /nfs/dbraw/zinc/91/46/64/955914664.db2.gz DXSXZEGRSIRLEP-JTQLQIEISA-N -1 0 315.351 -0.228 20 0 DBADRM Cn1nc(C2CC2)cc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001594575652 955915776 /nfs/dbraw/zinc/91/57/76/955915776.db2.gz GOPXWFRLLRWTSD-JTQLQIEISA-N -1 0 322.321 -0.452 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001589088411 955918091 /nfs/dbraw/zinc/91/80/91/955918091.db2.gz UUIXHFNGCZFNHV-IUCAKERBSA-N -1 0 314.338 -0.234 20 0 DBADRM Cn1nc(C2CC2)nc1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001594576143 955919424 /nfs/dbraw/zinc/91/94/24/955919424.db2.gz VAOKYWIHWQCLGQ-YMTOWFKASA-N -1 0 306.322 -0.134 20 0 DBADRM Cn1[nH]c([C@H]2CCCN2C(=O)c2cc(C(=O)[O-])n[nH]2)nc1=N ZINC001594576177 955919973 /nfs/dbraw/zinc/91/99/73/955919973.db2.gz VTYUYNSOFCUFAL-MRVPVSSYSA-N -1 0 305.298 -0.374 20 0 DBADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])CCCO1)C(=O)NCC(F)(F)F ZINC001589090513 955930927 /nfs/dbraw/zinc/93/09/27/955930927.db2.gz DNCFCADNCZJXKI-WKEGUHRASA-N -1 0 312.244 -0.197 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1CCc2c(nc(C)n2CCO)C1 ZINC001593907016 955931525 /nfs/dbraw/zinc/93/15/25/955931525.db2.gz OIXRQKPLWDILHQ-SKDRFNHKSA-N -1 0 311.338 -0.743 20 0 DBADRM Cn1nc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1C1CC1 ZINC001594577511 955932481 /nfs/dbraw/zinc/93/24/81/955932481.db2.gz YAEOITVMKOQYAR-SNVBAGLBSA-N -1 0 320.349 -0.153 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCC1CCC(S(C)(=O)=O)CC1 ZINC001593907793 955945407 /nfs/dbraw/zinc/94/54/07/955945407.db2.gz PLKBHZHNFNDSAK-RTBKNWGFSA-N -1 0 307.368 -0.194 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCCC1N=NC(=S)N1C(C)C ZINC001593907903 955947217 /nfs/dbraw/zinc/94/72/17/955947217.db2.gz BMTGNMNJLPMEAX-MRVPVSSYSA-N -1 0 302.356 -0.094 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1ncnn1C ZINC001589092228 955954825 /nfs/dbraw/zinc/95/48/25/955954825.db2.gz LGPQYXJFJMKIPZ-IUCAKERBSA-N -1 0 309.326 -0.685 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1cnn(C)c1 ZINC001589092406 955955998 /nfs/dbraw/zinc/95/59/98/955955998.db2.gz OMFACLRFNRUMLA-MWLCHTKSSA-N -1 0 308.338 -0.080 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1ccccc1CS(C)(=O)=O ZINC001593909246 955957689 /nfs/dbraw/zinc/95/76/89/955957689.db2.gz SRNJZVGSMBFPMG-NSHDSACASA-N -1 0 315.347 -0.053 20 0 DBADRM Cn1ncc(CNC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)n1 ZINC001594582138 955980675 /nfs/dbraw/zinc/98/06/75/955980675.db2.gz HBXCBIYCXYRXGJ-UHFFFAOYSA-N -1 0 317.305 -0.303 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc2c(c1)n(C)c(=O)n(C)c2=O ZINC001593913549 955997764 /nfs/dbraw/zinc/99/77/64/955997764.db2.gz QKXBVJXYSFUTAS-JTQLQIEISA-N -1 0 321.289 -0.725 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O)CC2 ZINC001594586111 955999706 /nfs/dbraw/zinc/99/97/06/955999706.db2.gz JXWQNKAMWMWPNR-SKDRFNHKSA-N -1 0 321.333 -0.246 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O)CC2 ZINC001594586104 955999867 /nfs/dbraw/zinc/99/98/67/955999867.db2.gz JXWQNKAMWMWPNR-BXKDBHETSA-N -1 0 321.333 -0.246 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1cccc(NS(N)(=O)=O)c1 ZINC001593913727 956000454 /nfs/dbraw/zinc/00/04/54/956000454.db2.gz WJZUJTBXKKMFLI-MRVPVSSYSA-N -1 0 303.296 -0.660 20 0 DBADRM Cn1ncc2c1nc(S[C@H]1CCN(CC(=O)[O-])C1=O)[nH]c2=O ZINC001594586536 956003588 /nfs/dbraw/zinc/00/35/88/956003588.db2.gz PUMYERMDGMJEHL-ZETCQYMHSA-N -1 0 323.334 -0.154 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1Cn1nnc2ccccc2c1=O ZINC000387879360 972145247 /nfs/dbraw/zinc/14/52/47/972145247.db2.gz CWKLHYHCZZJGJB-SNVBAGLBSA-N -1 0 304.306 -0.076 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)C(=O)Nc1cccc(F)n1)C(=O)[O-] ZINC001594587856 956015894 /nfs/dbraw/zinc/01/58/94/956015894.db2.gz NYWALTZIDABJAB-SNVBAGLBSA-N -1 0 321.268 -0.165 20 0 DBADRM Cn1nccc1C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001594588466 956021068 /nfs/dbraw/zinc/02/10/68/956021068.db2.gz VKKMZDHKABETHN-SNVBAGLBSA-N -1 0 320.349 -0.042 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@H]1CCCn2ncnc21)C(=O)[O-] ZINC001594588509 956022574 /nfs/dbraw/zinc/02/25/74/956022574.db2.gz XOJCSAQEPGZKMF-WCBMZHEXSA-N -1 0 304.310 -0.169 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CN1CCCCC(=O)C1=O)C(=O)[O-] ZINC001594588873 956028339 /nfs/dbraw/zinc/02/83/39/956028339.db2.gz LIYRPCBIUGVEGR-GFCCVEGCSA-N -1 0 322.321 -0.756 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC001593922069 956088888 /nfs/dbraw/zinc/08/88/88/956088888.db2.gz GKSMWEGOUJKWQG-CYBMUJFWSA-N -1 0 311.342 -0.753 20 0 DBADRM Cn1nccc1CCOC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594596650 956098703 /nfs/dbraw/zinc/09/87/03/956098703.db2.gz HKVFCGWWUGTAOG-LLVKDONJSA-N -1 0 309.322 -0.171 20 0 DBADRM Cn1nnc2cc(NC(=O)C(=O)N3CCC[C@H]3C(=O)[O-])ccc21 ZINC001594596796 956099560 /nfs/dbraw/zinc/09/95/60/956099560.db2.gz NQXUDWJBNIGFMD-NSHDSACASA-N -1 0 317.305 -0.018 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(Cc2noc(C)n2)CC1 ZINC001593922989 956103037 /nfs/dbraw/zinc/10/30/37/956103037.db2.gz ZZVQEFHUQGVBMS-CYBMUJFWSA-N -1 0 312.326 -0.488 20 0 DBADRM Cn1nccc1CN1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001594597371 956104448 /nfs/dbraw/zinc/10/44/48/956104448.db2.gz VLMLSGJYBQTDMW-LBPRGKRZSA-N -1 0 321.337 -0.706 20 0 DBADRM Cn1nccc1CCn1nnnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001594597306 956105166 /nfs/dbraw/zinc/10/51/66/956105166.db2.gz TXLMHDOEFNYKNC-JTQLQIEISA-N -1 0 305.342 -0.050 20 0 DBADRM Cn1nnc2c1C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)CC2 ZINC001594597457 956106118 /nfs/dbraw/zinc/10/61/18/956106118.db2.gz XLJGVGDHCPVDCF-LDYMZIIASA-N -1 0 309.326 -0.833 20 0 DBADRM Cn1nnc2c1C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)CC2 ZINC001594597454 956106239 /nfs/dbraw/zinc/10/62/39/956106239.db2.gz XLJGVGDHCPVDCF-KCJUWKMLSA-N -1 0 309.326 -0.833 20 0 DBADRM Cn1nccc1CC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594597630 956107534 /nfs/dbraw/zinc/10/75/34/956107534.db2.gz YAXWRGHBIGEMTE-NSHDSACASA-N -1 0 308.338 -0.456 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001593924758 956107967 /nfs/dbraw/zinc/10/79/67/956107967.db2.gz CWGPJQNUWIDYOQ-SBMIAAHKSA-N -1 0 322.383 -0.690 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001594599326 956119172 /nfs/dbraw/zinc/11/91/72/956119172.db2.gz OOEIFRDMTYWNEW-UHFFFAOYSA-N -1 0 302.290 -0.143 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCc1nnc(C2CCOCC2)[nH]1 ZINC001593926737 956135062 /nfs/dbraw/zinc/13/50/62/956135062.db2.gz MICZSEGSTQLIGB-ZDUSSCGKSA-N -1 0 312.326 -0.195 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[nH]2)C1 ZINC001593927559 956145970 /nfs/dbraw/zinc/14/59/70/956145970.db2.gz LNLDIVBMKNNJIL-YMTOWFKASA-N -1 0 324.337 -0.325 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)OCCCn1nc2ccccn2c1=O ZINC001593931196 956183769 /nfs/dbraw/zinc/18/37/69/956183769.db2.gz PICVVORFTSACMP-CQSZACIVSA-N -1 0 323.305 -0.081 20 0 DBADRM C[C@@H](NCCS(=O)(=O)CC(=O)[O-])c1nnnn1C1CC1 ZINC001589129783 956188639 /nfs/dbraw/zinc/18/86/39/956188639.db2.gz YDEXBNMDDNWTGH-SSDOTTSWSA-N -1 0 303.344 -0.842 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCSC[C@@H]2CO)cn1 ZINC000388232509 972162183 /nfs/dbraw/zinc/16/21/83/972162183.db2.gz SGFHVICWKSNHME-QMMMGPOBSA-N -1 0 321.380 -0.934 20 0 DBADRM C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1ncnn1C ZINC001589132233 956211838 /nfs/dbraw/zinc/21/18/38/956211838.db2.gz OSTROQPZOVHZDK-SFYZADRCSA-N -1 0 303.344 -0.741 20 0 DBADRM COC(C)(C)Cn1nnnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593935552 956219265 /nfs/dbraw/zinc/21/92/65/956219265.db2.gz KNTSMNKULKJSHP-NOZJJQNGSA-N -1 0 311.342 -0.365 20 0 DBADRM COC(C)(C)C(=O)COC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593935566 956219642 /nfs/dbraw/zinc/21/96/42/956219642.db2.gz KVLSGBMOIYIBOE-SECBINFHSA-N -1 0 315.322 -0.153 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1ccnn1C1CCCC1)C(=O)[O-] ZINC001589138167 956243725 /nfs/dbraw/zinc/24/37/25/956243725.db2.gz IPDORXQRACRKPZ-AWEZNQCLSA-N -1 0 324.337 -0.112 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1ccnn1C1CCCC1)C(=O)[O-] ZINC001589138168 956244129 /nfs/dbraw/zinc/24/41/29/956244129.db2.gz IPDORXQRACRKPZ-CQSZACIVSA-N -1 0 324.337 -0.112 20 0 DBADRM C[C@@](O)(CNC(=O)[C@H]1COCCN1C1CCCC1)C(=O)[O-] ZINC001589138329 956246453 /nfs/dbraw/zinc/24/64/53/956246453.db2.gz AKZAHHBBXLPQOY-BXUZGUMPSA-N -1 0 300.355 -0.418 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)CC(C)C ZINC001593938920 956256668 /nfs/dbraw/zinc/25/66/68/956256668.db2.gz OIWUVDIEQNMXOS-QWRGUYRKSA-N -1 0 316.354 -0.524 20 0 DBADRM CC(C)(C)c1cc(C(=O)NC[C@](C)(O)C(=O)[O-])nc2ncnn21 ZINC001589143589 956269316 /nfs/dbraw/zinc/26/93/16/956269316.db2.gz ATUFTHBSZAXIQF-AWEZNQCLSA-N -1 0 321.337 -0.013 20 0 DBADRM C[C@](O)(CNC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1)C(=O)[O-] ZINC001589144908 956284463 /nfs/dbraw/zinc/28/44/63/956284463.db2.gz YQOCSWZUWAWDAQ-FZMZJTMJSA-N -1 0 323.305 -0.132 20 0 DBADRM C[C@](O)(CNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C(=O)[O-] ZINC001589144899 956284696 /nfs/dbraw/zinc/28/46/96/956284696.db2.gz YNKRJWIGVQQNCK-AWEZNQCLSA-N -1 0 309.322 -0.184 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001589146388 956291356 /nfs/dbraw/zinc/29/13/56/956291356.db2.gz HLKALTUCXMTPGR-ZETOZRRWSA-N -1 0 308.334 -0.031 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC001589146384 956291622 /nfs/dbraw/zinc/29/16/22/956291622.db2.gz HJMTVZVMSIYZKE-VIFPVBQESA-N -1 0 322.321 -0.163 20 0 DBADRM CO[C@]1(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001593943358 956298185 /nfs/dbraw/zinc/29/81/85/956298185.db2.gz JSUJCJYNUMIZEI-GXFFZTMASA-N -1 0 319.379 -0.097 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001589146794 956298386 /nfs/dbraw/zinc/29/83/86/956298386.db2.gz NMVRIIVFFARCRE-DMWPJOQESA-N -1 0 312.366 -0.169 20 0 DBADRM CO[C@@]1(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001593943366 956299814 /nfs/dbraw/zinc/29/98/14/956299814.db2.gz KBQJHGCXMCHVNL-SBMIAAHKSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001589146888 956300112 /nfs/dbraw/zinc/30/01/12/956300112.db2.gz OGIMORQWJMELCG-XHDPSFHLSA-N -1 0 310.350 -0.151 20 0 DBADRM COC1(CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CCOCC1 ZINC001593943485 956300889 /nfs/dbraw/zinc/30/08/89/956300889.db2.gz JLUDMUVRWVJLCQ-SNVBAGLBSA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001589147088 956303458 /nfs/dbraw/zinc/30/34/58/956303458.db2.gz PNNLNWIQKBUUCR-WRWORJQWSA-N -1 0 310.310 -0.818 20 0 DBADRM CO[C@]1(C(=O)N2CCC(C(=O)[O-])CC2)CCS(=O)(=O)C1 ZINC001593943771 956305081 /nfs/dbraw/zinc/30/50/81/956305081.db2.gz RRTMRCCVLJXIAT-GFCCVEGCSA-N -1 0 305.352 -0.487 20 0 DBADRM COC1(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CS(=O)(=O)C1 ZINC001593944010 956309445 /nfs/dbraw/zinc/30/94/45/956309445.db2.gz VGYXBKPKXSEDAC-RKDXNWHRSA-N -1 0 305.352 -0.631 20 0 DBADRM COC1([C@H](C)NC(=O)C(=O)NCCCC(=O)[O-])CCOCC1 ZINC001593944160 956310591 /nfs/dbraw/zinc/31/05/91/956310591.db2.gz ZAJPRBFVOZVFAU-JTQLQIEISA-N -1 0 316.354 -0.332 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001589147639 956310831 /nfs/dbraw/zinc/31/08/31/956310831.db2.gz TYNUYPJSAVZIHF-SECBINFHSA-N -1 0 307.306 -0.555 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1cccc2c1OCC2)C(=O)[O-] ZINC001589148027 956317325 /nfs/dbraw/zinc/31/73/25/956317325.db2.gz MVJZXDNTBALKSD-LBPRGKRZSA-N -1 0 301.320 -0.265 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N(C)CCC(=O)[O-] ZINC001589148144 956319244 /nfs/dbraw/zinc/31/92/44/956319244.db2.gz YXUNKQJWFQSCHK-BXKDBHETSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)Cc1noc2c1CCCC2)C(=O)[O-] ZINC001589148314 956321521 /nfs/dbraw/zinc/32/15/21/956321521.db2.gz QBPOWPXLZGLQDG-GFCCVEGCSA-N -1 0 318.351 -0.192 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589152455 956336706 /nfs/dbraw/zinc/33/67/06/956336706.db2.gz ORDFJEJUVVGHIG-MNOVXSKESA-N -1 0 315.370 -0.136 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001589152489 956338760 /nfs/dbraw/zinc/33/87/60/956338760.db2.gz OXDSLHCZEOLAHK-MNOVXSKESA-N -1 0 318.370 -0.359 20 0 DBADRM C[C@@H](O)CN(C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589152678 956339881 /nfs/dbraw/zinc/33/98/81/956339881.db2.gz RXKGWLPFHBUYEB-NXEZZACHSA-N -1 0 301.343 -0.526 20 0 DBADRM COC1(c2cnnn2C)CN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001593947172 956339821 /nfs/dbraw/zinc/33/98/21/956339821.db2.gz GRJTZHCFYPKBDR-UHFFFAOYSA-N -1 0 317.305 -0.094 20 0 DBADRM C[C@@H](O)CC(C)(C)CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001589152817 956341988 /nfs/dbraw/zinc/34/19/88/956341988.db2.gz MCLMKSLCTIJYJY-NXEZZACHSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CCO1 ZINC001589153401 956348694 /nfs/dbraw/zinc/34/86/94/956348694.db2.gz STXGMKDUMUODIQ-BJDJZHNGSA-N -1 0 301.339 -0.136 20 0 DBADRM COC1(c2nccn2C)CCN(CC(=O)NCC(=O)[O-])CC1 ZINC001593948313 956352474 /nfs/dbraw/zinc/35/24/74/956352474.db2.gz YRUQUROMKJKKII-UHFFFAOYSA-N -1 0 310.354 -0.442 20 0 DBADRM C[C@@H](O)c1cn(C2CN(C(=O)[C@]3(C(=O)[O-])CCCO3)C2)nn1 ZINC001589154432 956364627 /nfs/dbraw/zinc/36/46/27/956364627.db2.gz UQEUBSRTKCYEBL-OQPBUACISA-N -1 0 310.310 -0.652 20 0 DBADRM CO[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C[C@@H]1C ZINC001593949753 956366652 /nfs/dbraw/zinc/36/66/52/956366652.db2.gz LXRTWAKHTHTIKQ-HBNTYKKESA-N -1 0 314.338 -0.818 20 0 DBADRM CO[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001593949972 956367880 /nfs/dbraw/zinc/36/78/80/956367880.db2.gz NOCCWLYQEJGZRH-SECBINFHSA-N -1 0 310.310 -0.456 20 0 DBADRM C[C@H](OC(=O)CCC(=O)[O-])C(=O)N1CCC(C(N)=O)CC1 ZINC001589154946 956369204 /nfs/dbraw/zinc/36/92/04/956369204.db2.gz BVTYVVAQNZMKKE-QMMMGPOBSA-N -1 0 300.311 -0.493 20 0 DBADRM NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)COCC(=O)[O-] ZINC001594636133 956372542 /nfs/dbraw/zinc/37/25/42/956372542.db2.gz BNDIOKDXPBWPKD-SNVBAGLBSA-N -1 0 314.725 -0.046 20 0 DBADRM COC1CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CC1 ZINC001593950328 956373536 /nfs/dbraw/zinc/37/35/36/956373536.db2.gz VEVFYMYUXPMPHV-UHFFFAOYSA-N -1 0 319.379 -0.097 20 0 DBADRM NC(=O)[C@H](F)C1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001594636213 956374238 /nfs/dbraw/zinc/37/42/38/956374238.db2.gz CHTOJLFRZXOXCN-RNCFNFMXSA-N -1 0 302.302 -0.318 20 0 DBADRM C[C@H](OC(=O)CCCC(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001589156542 956375883 /nfs/dbraw/zinc/37/58/83/956375883.db2.gz STARJVLXIRCHSF-IUCAKERBSA-N -1 0 321.351 -0.524 20 0 DBADRM NC(=O)[C@H](F)C1CCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001594636360 956376142 /nfs/dbraw/zinc/37/61/42/956376142.db2.gz HAYPOQVETJSPDV-GXSJLCMTSA-N -1 0 301.318 -0.793 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)OCc1cn(CC(=O)[O-])nn1 ZINC001593950844 956381249 /nfs/dbraw/zinc/38/12/49/956381249.db2.gz HJLDLLCQFBDJOD-GXSJLCMTSA-N -1 0 313.310 -0.153 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])[C@@](C)(CO)C1 ZINC001593950992 956383363 /nfs/dbraw/zinc/38/33/63/956383363.db2.gz GFPHPYSOAYZWJJ-ISTVAULSSA-N -1 0 316.354 -0.836 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@@](C)(CO)C1 ZINC001593950995 956383399 /nfs/dbraw/zinc/38/33/99/956383399.db2.gz GFPHPYSOAYZWJJ-PKFCDNJMSA-N -1 0 316.354 -0.836 20 0 DBADRM NC(=O)[C@H](NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccccn1 ZINC001594637177 956383380 /nfs/dbraw/zinc/38/33/80/956383380.db2.gz XWIOPZZBIOGZLI-GBIKHYSHSA-N -1 0 321.333 -0.006 20 0 DBADRM NC(=O)[C@H]1CCC[C@H](C(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC001594637815 956383451 /nfs/dbraw/zinc/38/34/51/956383451.db2.gz AYGISMVKWVEIPT-UWVGGRQHSA-N -1 0 311.338 -0.967 20 0 DBADRM C[C@@H](OC(=O)[C@@H](C)C(=O)[O-])C(=O)Nc1ncnc2[nH]cnc21 ZINC001589158643 956385367 /nfs/dbraw/zinc/38/53/67/956385367.db2.gz KDKVRHPNJFQWCJ-NTSWFWBYSA-N -1 0 307.266 -0.056 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)Nc2ccnc(C(=O)[O-])c2)O1 ZINC001594638125 956388588 /nfs/dbraw/zinc/38/85/88/956388588.db2.gz KQWGAHHJYJZOHZ-WCBMZHEXSA-N -1 0 308.294 -0.066 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])CC[C@@H]1C ZINC001593951438 956390457 /nfs/dbraw/zinc/39/04/57/956390457.db2.gz PPTLOCADXHEHBI-VHSXEESVSA-N -1 0 302.327 -0.913 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)O1 ZINC001594638309 956393284 /nfs/dbraw/zinc/39/32/84/956393284.db2.gz NDKKTIJDDMEQAM-ZDCRXTMVSA-N -1 0 314.338 -0.595 20 0 DBADRM NC(=O)CC1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC001594638522 956394149 /nfs/dbraw/zinc/39/41/49/956394149.db2.gz LIDLBGUHRMFWLM-UHFFFAOYSA-N -1 0 319.317 -0.414 20 0 DBADRM CO[C@@H]1COCC[C@H]1Cn1nnnc1N(C)C[C@@H](C)C(=O)[O-] ZINC001593952079 956401013 /nfs/dbraw/zinc/40/10/13/956401013.db2.gz ZKRQNUWQSBBVPX-OUAUKWLOSA-N -1 0 313.358 -0.119 20 0 DBADRM NC(=O)[C@H]1CCC[C@@H](C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001594639185 956401871 /nfs/dbraw/zinc/40/18/71/956401871.db2.gz WFPSWEBUUNUMAQ-DDIVZENXSA-N -1 0 310.350 -0.162 20 0 DBADRM NC(=O)C12CCC(CC1)N2C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594639183 956401954 /nfs/dbraw/zinc/40/19/54/956401954.db2.gz WCNSQIGJNRRNDD-KGXJWFGYSA-N -1 0 323.349 -0.682 20 0 DBADRM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001594639230 956402302 /nfs/dbraw/zinc/40/23/02/956402302.db2.gz TYBIIWZOPBDFOY-NEPJUHHUSA-N -1 0 317.301 -0.173 20 0 DBADRM NC(=O)CC1(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001594639292 956403063 /nfs/dbraw/zinc/40/30/63/956403063.db2.gz WIUMCJJRNBFGHW-VIFPVBQESA-N -1 0 311.338 -0.919 20 0 DBADRM COC[C@@H](C)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593954724 956419201 /nfs/dbraw/zinc/41/92/01/956419201.db2.gz QWOFHIXKJDLOSC-VIFPVBQESA-N -1 0 307.368 -0.335 20 0 DBADRM NC(=O)CNC(=O)c1ccc(OC(=O)[C@@H](C(=O)[O-])C2CC2)cc1 ZINC001594641520 956424722 /nfs/dbraw/zinc/42/47/22/956424722.db2.gz REMRHBZZJVFKJH-GFCCVEGCSA-N -1 0 320.301 -0.082 20 0 DBADRM NC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001594641568 956424874 /nfs/dbraw/zinc/42/48/74/956424874.db2.gz VBSHPKDGJMIVQK-NSHDSACASA-N -1 0 305.290 -0.270 20 0 DBADRM COC[C@H](C)OC[C@H](O)CN1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000388660577 972185683 /nfs/dbraw/zinc/18/56/83/972185683.db2.gz GCTYGDKCJHQEMG-GXSJLCMTSA-N -1 0 314.342 -0.755 20 0 DBADRM COC[C@H](C)NC(=S)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593956465 956431907 /nfs/dbraw/zinc/43/19/07/956431907.db2.gz XWCBBSNBSXGCJG-UWVGGRQHSA-N -1 0 317.411 -0.049 20 0 DBADRM NC(=O)Cc1ccc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1 ZINC001594642679 956432473 /nfs/dbraw/zinc/43/24/73/956432473.db2.gz YSIGOXWUNOMWET-LLVKDONJSA-N -1 0 305.290 -0.440 20 0 DBADRM NC(=O)NC(=O)C1CCC(NC(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC001594644284 956432842 /nfs/dbraw/zinc/43/28/42/956432842.db2.gz CMMDUBOZDLZXDX-UDNWOFFPSA-N -1 0 311.338 -0.033 20 0 DBADRM COC[C@H](Cn1nnnc1N1C[C@H](C)C[C@H](C(=O)[O-])C1)OC ZINC001593956527 956433309 /nfs/dbraw/zinc/43/33/09/956433309.db2.gz AQACRFJLVQKYMO-VWYCJHECSA-N -1 0 313.358 -0.119 20 0 DBADRM NC(=O)N1CCC[C@H](CNC(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001594644740 956434517 /nfs/dbraw/zinc/43/45/17/956434517.db2.gz KEBYZJABZBGEAD-MRVPVSSYSA-N -1 0 307.310 -0.305 20 0 DBADRM COC[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)[C@@H]1CCCO1 ZINC001593956814 956436883 /nfs/dbraw/zinc/43/68/83/956436883.db2.gz KCPBZILTYVMHAK-DCAQKATOSA-N -1 0 314.338 -0.770 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001593957297 956443884 /nfs/dbraw/zinc/44/38/84/956443884.db2.gz FOGQNJSPXMDCKP-JTQLQIEISA-N -1 0 310.306 -0.624 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])O1 ZINC001594647729 956447750 /nfs/dbraw/zinc/44/77/50/956447750.db2.gz DISMKBWFZJUNBM-TUAOUCFPSA-N -1 0 306.318 -0.169 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001594648052 956450254 /nfs/dbraw/zinc/45/02/54/956450254.db2.gz QDFVECIWGJZVMD-AEJSXWLSSA-N -1 0 311.338 -0.920 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)NC2(C(=O)[O-])CCOCC2)O1 ZINC001594648061 956450628 /nfs/dbraw/zinc/45/06/28/956450628.db2.gz QGVOGSQQZKCJAI-ZJUUUORDSA-N -1 0 314.338 -0.451 20 0 DBADRM COC[C@@H](NC(=O)C(=O)N(C)CCC(=O)[O-])[C@H]1CCCOC1 ZINC001593957789 956451581 /nfs/dbraw/zinc/45/15/81/956451581.db2.gz ZDOURFDJGFVIMV-WDEREUQCSA-N -1 0 316.354 -0.523 20 0 DBADRM NC(=O)[C@]12CCC[C@H]1CN(C(=O)c1cnc(C(=O)[O-])cn1)C2 ZINC001594648565 956454107 /nfs/dbraw/zinc/45/41/07/956454107.db2.gz FIOSHFXIMNUYAS-RTHLEPHNSA-N -1 0 304.306 -0.098 20 0 DBADRM NC(=O)c1ccc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000388661159 972185350 /nfs/dbraw/zinc/18/53/50/972185350.db2.gz QNMYYEYUWVMZFE-GXSJLCMTSA-N -1 0 309.278 -0.287 20 0 DBADRM COC[C@@H](CO)NC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001593958146 956458733 /nfs/dbraw/zinc/45/87/33/956458733.db2.gz PWHZQXNWBJETOH-PYUIQPRZSA-N -1 0 316.354 -0.295 20 0 DBADRM COC[C@H](CO)NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001593958270 956460467 /nfs/dbraw/zinc/46/04/67/956460467.db2.gz VXIUHJYQSVWXMZ-GWCFXTLKSA-N -1 0 321.333 -0.171 20 0 DBADRM COC[C@@H](CO)NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001593958272 956460520 /nfs/dbraw/zinc/46/05/20/956460520.db2.gz VXIUHJYQSVWXMZ-MFKMUULPSA-N -1 0 321.333 -0.171 20 0 DBADRM C[C@H](SCC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001589169790 956465100 /nfs/dbraw/zinc/46/51/00/956465100.db2.gz NNXMKENDYWXSLM-QMMMGPOBSA-N -1 0 324.424 -0.267 20 0 DBADRM NC(=O)c1ccc(C(=O)OCc2cn(CC(=O)[O-])nn2)cn1 ZINC001594649995 956466139 /nfs/dbraw/zinc/46/61/39/956466139.db2.gz UZPCZBQVOPWKQS-UHFFFAOYSA-N -1 0 305.250 -0.786 20 0 DBADRM C[C@@H](SCC(=O)[O-])C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC001589169971 956467608 /nfs/dbraw/zinc/46/76/08/956467608.db2.gz VBRPXAOGHDYWCE-RXMQYKEDSA-N -1 0 301.324 -0.945 20 0 DBADRM NC(=O)c1cccc(CCNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)c1 ZINC001594650228 956469756 /nfs/dbraw/zinc/46/97/56/956469756.db2.gz YQCSFARBFCHYTJ-NSHDSACASA-N -1 0 305.290 -0.326 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001593959592 956474805 /nfs/dbraw/zinc/47/48/05/956474805.db2.gz CDPIMTMXCDUJPW-LBPRGKRZSA-N -1 0 322.383 -0.736 20 0 DBADRM COC[C@]1(C(=O)N2CC[C@](COC)(C(=O)[O-])C2)CCOC1 ZINC001593960319 956482219 /nfs/dbraw/zinc/48/22/19/956482219.db2.gz UWPHMZWQTLGSMF-UONOGXRCSA-N -1 0 301.339 -0.011 20 0 DBADRM NC(=O)c1ncccc1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594653324 956485881 /nfs/dbraw/zinc/48/58/81/956485881.db2.gz KDIGLKQFOWCHBL-RTHLEPHNSA-N -1 0 305.290 -0.646 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1 ZINC001594653687 956490287 /nfs/dbraw/zinc/49/02/87/956490287.db2.gz CQZKVWFFHOWFED-ZCFIWIBFSA-N -1 0 302.312 -0.999 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC001594653886 956491507 /nfs/dbraw/zinc/49/15/07/956491507.db2.gz FPMRXRBAQNWJKJ-VIFPVBQESA-N -1 0 319.383 -0.296 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1 ZINC001594653954 956492343 /nfs/dbraw/zinc/49/23/43/956492343.db2.gz HDIVIAGKHZRSSL-WSFZALMZSA-N -1 0 313.335 -0.898 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCCN1C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001594653991 956492786 /nfs/dbraw/zinc/49/27/86/956492786.db2.gz IMLRKDXCTBQXQM-SSDOTTSWSA-N -1 0 316.339 -0.609 20 0 DBADRM C[C@H](c1ccccn1)N(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001589175365 956495028 /nfs/dbraw/zinc/49/50/28/956495028.db2.gz AJGOKDKXSCZSKP-ZYHUDNBSSA-N -1 0 321.333 -0.087 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC001594654248 956495708 /nfs/dbraw/zinc/49/57/08/956495708.db2.gz NQFWEWGIHLKLLV-IVZWLZJFSA-N -1 0 304.368 -0.376 20 0 DBADRM C[C@@H](c1cnccn1)S(=O)(=O)CCS(=O)(=O)CC(=O)[O-] ZINC001589175641 956498504 /nfs/dbraw/zinc/49/85/04/956498504.db2.gz HMCHCYBBXWXDFL-QMMMGPOBSA-N -1 0 322.364 -0.548 20 0 DBADRM C[C@H](c1ccncc1)N(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001589175782 956499718 /nfs/dbraw/zinc/49/97/18/956499718.db2.gz LBYCLQNRNIYAEU-ZYHUDNBSSA-N -1 0 321.333 -0.087 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])C2CCC2)cn1 ZINC001594654999 956500878 /nfs/dbraw/zinc/50/08/78/956500878.db2.gz FZZMBPZTZCEGJJ-UHFFFAOYSA-N -1 0 313.335 -0.192 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)C(=O)N(C)OC)C1 ZINC001593962558 956501826 /nfs/dbraw/zinc/50/18/26/956501826.db2.gz ZROIQHCLPKNKAC-NOZJJQNGSA-N -1 0 317.342 -0.473 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)Cc2nnc(N)s2)C1 ZINC001593962626 956503326 /nfs/dbraw/zinc/50/33/26/956503326.db2.gz ICOHQEXRUJKADS-LLVKDONJSA-N -1 0 300.340 -0.388 20 0 DBADRM NS(=O)(=O)c1ccsc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001594660025 956526303 /nfs/dbraw/zinc/52/63/03/956526303.db2.gz GAIBGWLXVYEARM-LURJTMIESA-N -1 0 320.348 -0.679 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Cn1ncn2nccc2c1=O ZINC001589185183 956559742 /nfs/dbraw/zinc/55/97/42/956559742.db2.gz YFONNBZOZMWUND-ZDUSSCGKSA-N -1 0 305.294 -0.643 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001594665017 956563944 /nfs/dbraw/zinc/56/39/44/956563944.db2.gz LVJXTCBGRIHOBW-QMMMGPOBSA-N -1 0 320.309 -0.889 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCc3ncncc3C2)C1 ZINC001589188174 956575037 /nfs/dbraw/zinc/57/50/37/956575037.db2.gz VCASIKUVDRFIRT-OAHLLOKOSA-N -1 0 318.333 -0.316 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@@H]1CCc3nncn3C1)C2 ZINC001594667664 956593835 /nfs/dbraw/zinc/59/38/35/956593835.db2.gz LLKFPQNCIKZKJN-GPCCPHFNSA-N -1 0 306.322 -0.600 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2nnnn2[C@H]2COC[C@H]2C)C1 ZINC001593969926 956598358 /nfs/dbraw/zinc/59/83/58/956598358.db2.gz IEKITEWVZDPQPM-NRUUGDAUSA-N -1 0 311.342 -0.192 20 0 DBADRM O=C(/C=C/CN1CCOCC1)NCC1(C(=O)[O-])CCOCC1 ZINC001594668771 956601755 /nfs/dbraw/zinc/60/17/55/956601755.db2.gz WMPTUDQBSZBRIT-OWOJBTEDSA-N -1 0 312.366 -0.128 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H](C)c2cncnc2)CCO1 ZINC001593970142 956601949 /nfs/dbraw/zinc/60/19/49/956601949.db2.gz JRHBFVVMKXBFOF-QMTHXVAHSA-N -1 0 309.322 -0.091 20 0 DBADRM O=C([O-])c1ccc(/C=C\C(=O)N[C@@H](CO)CN2CCOCC2)o1 ZINC001594669643 956607101 /nfs/dbraw/zinc/60/71/01/956607101.db2.gz FKAIJUXGKUMUKK-CJHWANRJSA-N -1 0 324.333 -0.200 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCc3cncn3C2)CCO1 ZINC001593971134 956617176 /nfs/dbraw/zinc/61/71/76/956617176.db2.gz FAWBGZYEUIOPLO-IAQYHMDHSA-N -1 0 323.349 -0.226 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C[C@@H]2CCC(=O)NC2)CCO1 ZINC001593971400 956621002 /nfs/dbraw/zinc/62/10/02/956621002.db2.gz GAOKUNMEWJEBCP-IINYFYTJSA-N -1 0 314.338 -0.769 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C[C@@H]2CCC(=O)NC2)CCO1 ZINC001593971399 956621114 /nfs/dbraw/zinc/62/11/14/956621114.db2.gz GAOKUNMEWJEBCP-HZMBPMFUSA-N -1 0 314.338 -0.769 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C[C@H]2CCC(=O)NC2)CCO1 ZINC001593971401 956621153 /nfs/dbraw/zinc/62/11/53/956621153.db2.gz GAOKUNMEWJEBCP-QMTHXVAHSA-N -1 0 314.338 -0.769 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C[C@@H]2CCCC(=O)N2)CCO1 ZINC001593971425 956622101 /nfs/dbraw/zinc/62/21/01/956622101.db2.gz GKWWNTJMEVTLFD-HZMBPMFUSA-N -1 0 314.338 -0.626 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)COCc2ccncc2)CCO1 ZINC001593971519 956623535 /nfs/dbraw/zinc/62/35/35/956623535.db2.gz CGUKPQYFZMXMHR-OAHLLOKOSA-N -1 0 324.333 -0.073 20 0 DBADRM CC1(C(=O)[O-])CCN(S(=O)(=O)CCN2CCOC2=O)CC1 ZINC001589200620 956632403 /nfs/dbraw/zinc/63/24/03/956632403.db2.gz VLRADJPWXBORKB-UHFFFAOYSA-N -1 0 320.367 -0.045 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C2CCC(O)CC2)CCO1 ZINC001593972374 956632567 /nfs/dbraw/zinc/63/25/67/956632567.db2.gz JKIPBVMDRDGUIP-MGULZYLOSA-N -1 0 301.339 -0.134 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C2CCC(O)CC2)CCO1 ZINC001593972375 956632581 /nfs/dbraw/zinc/63/25/81/956632581.db2.gz JKIPBVMDRDGUIP-QIMFLAQGSA-N -1 0 301.339 -0.134 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001589201485 956637526 /nfs/dbraw/zinc/63/75/26/956637526.db2.gz SQFHTFODVMMCGP-UHFFFAOYSA-N -1 0 318.395 -0.117 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCC[C@@H](C)OC)CCO1 ZINC001593973038 956638371 /nfs/dbraw/zinc/63/83/71/956638371.db2.gz UVYPXVTVGQEOIH-MFKMUULPSA-N -1 0 304.343 -0.077 20 0 DBADRM C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC001589203331 956647181 /nfs/dbraw/zinc/64/71/81/956647181.db2.gz LOKSJTKBKOERHN-KGLIPLIRSA-N -1 0 311.338 -0.967 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H]2CCc3[nH]cnc3C2)CCO1 ZINC001593973979 956648021 /nfs/dbraw/zinc/64/80/21/956648021.db2.gz ONRPBMORLQYTMC-ZUZCIYMTSA-N -1 0 323.349 -0.157 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CNCC(F)(F)F)CCO1 ZINC001593974747 956653980 /nfs/dbraw/zinc/65/39/80/956653980.db2.gz ONQKJUGQRFUYJU-SNVBAGLBSA-N -1 0 314.260 -0.533 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@]2(C)CCN(C)C2=O)CCO1 ZINC001593976439 956668352 /nfs/dbraw/zinc/66/83/52/956668352.db2.gz YKBUJPPINOAKAL-KBPBESRZSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@]2(C)CCN(C)C2=O)CCO1 ZINC001593976443 956668663 /nfs/dbraw/zinc/66/86/63/956668663.db2.gz YKBUJPPINOAKAL-UONOGXRCSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCn3cncc3C2)CCO1 ZINC001593976750 956670919 /nfs/dbraw/zinc/67/09/19/956670919.db2.gz ZJWIXOJRIDKHFJ-ABAIWWIYSA-N -1 0 323.349 -0.226 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCO1 ZINC001593977785 956680775 /nfs/dbraw/zinc/68/07/75/956680775.db2.gz NIXGZFIZLQHIDY-WNTDOGCYSA-N -1 0 311.334 -0.262 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCO1 ZINC001593977779 956680803 /nfs/dbraw/zinc/68/08/03/956680803.db2.gz NIXGZFIZLQHIDY-JLXBRODASA-N -1 0 311.334 -0.262 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCc2cccnn2)CCO1 ZINC001593978612 956688773 /nfs/dbraw/zinc/68/87/73/956688773.db2.gz KDSKHJZLZGUYKE-CYBMUJFWSA-N -1 0 310.310 -0.512 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001589211407 956691561 /nfs/dbraw/zinc/69/15/61/956691561.db2.gz KWQAMKZRJUQGDH-PELKAZGASA-N -1 0 304.368 -0.376 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(CCn2cncn2)CC1 ZINC001589211847 956695967 /nfs/dbraw/zinc/69/59/67/956695967.db2.gz FEWBLDPDKOKAJP-OAHLLOKOSA-N -1 0 321.381 -0.077 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cc(C=O)n(C)c2)CCO1 ZINC001593979589 956702968 /nfs/dbraw/zinc/70/29/68/956702968.db2.gz CYBYYNHHXFYHHV-CQSZACIVSA-N -1 0 310.306 -0.220 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001589212903 956708888 /nfs/dbraw/zinc/70/88/88/956708888.db2.gz NUYRLYBTIGNSQL-LSDHHAIUSA-N -1 0 312.366 -0.607 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cccc(C(N)=O)n2)CCO1 ZINC001593980424 956710435 /nfs/dbraw/zinc/71/04/35/956710435.db2.gz QUJRHJWMXDDFPX-AWEZNQCLSA-N -1 0 323.305 -0.877 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2ccc(C(=O)N(C)C)nn2)CCO1 ZINC001593983961 956741142 /nfs/dbraw/zinc/74/11/42/956741142.db2.gz DHOUDBVBXPNGGW-CQSZACIVSA-N -1 0 324.337 -0.515 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2nnnn2C2CC=CC2)CCO1 ZINC001593984714 956754123 /nfs/dbraw/zinc/75/41/23/956754123.db2.gz KOFMZDBYJRUUSK-CYBMUJFWSA-N -1 0 309.326 -0.129 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CC(=O)N[C@@H](C)C(C)C)CCO1 ZINC001593985377 956766866 /nfs/dbraw/zinc/76/68/66/956766866.db2.gz GCTZJPJBVZTXJE-FZMZJTMJSA-N -1 0 302.371 -0.051 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2C[C@H]2C[C@H]2C)CCO1 ZINC001593985502 956769750 /nfs/dbraw/zinc/76/97/50/956769750.db2.gz RAEUSSDBLYAZSN-BREBYQMCSA-N -1 0 311.342 -0.365 20 0 DBADRM O=C([O-])c1cc(NC(=O)CN2CCS(=O)(=O)CC2)ccn1 ZINC001594695872 956769818 /nfs/dbraw/zinc/76/98/18/956769818.db2.gz CCDQIAXYCBHDNQ-UHFFFAOYSA-N -1 0 313.335 -0.551 20 0 DBADRM O=C(CN1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1)NC1CC1 ZINC001594695893 956770034 /nfs/dbraw/zinc/77/00/34/956770034.db2.gz DPFQHPIGSZSAAY-NWDGAFQWSA-N -1 0 309.366 -0.480 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2nnnn2[C@@H]2C=CCC2)CCO1 ZINC001593985768 956774176 /nfs/dbraw/zinc/77/41/76/956774176.db2.gz VDTDYXLZIJKEOG-ZWNOBZJWSA-N -1 0 309.326 -0.129 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2nnnn2C2(C)CCC2)CCO1 ZINC001593986013 956779412 /nfs/dbraw/zinc/77/94/12/956779412.db2.gz YVDAUEZBVSIJIX-CYBMUJFWSA-N -1 0 311.342 -0.121 20 0 DBADRM CC1(C)CC[C@H](Cn2nnnc2N2CCO[C@@H](C(=O)[O-])C2)O1 ZINC001589223969 956780612 /nfs/dbraw/zinc/78/06/12/956780612.db2.gz DXHKGRWDBRPUFP-NXEZZACHSA-N -1 0 311.342 -0.080 20 0 DBADRM CN1CC(=O)N(CC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])C1=O ZINC000389241972 972213794 /nfs/dbraw/zinc/21/37/94/972213794.db2.gz DLCMCSUDRQHLRX-SBMIAAHKSA-N -1 0 309.322 -0.408 20 0 DBADRM COCC1(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001593987520 956801365 /nfs/dbraw/zinc/80/13/65/956801365.db2.gz CWTRAYWQWDFVRB-LLVKDONJSA-N -1 0 316.354 -0.075 20 0 DBADRM CC1(C)CN(C(=O)C(=O)NCCCC(=O)[O-])[C@@H]2COC[C@H]2O1 ZINC001589226620 956804489 /nfs/dbraw/zinc/80/44/89/956804489.db2.gz DYCPSQGYPYYZTB-NXEZZACHSA-N -1 0 314.338 -0.628 20 0 DBADRM CC1(C)CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C[C@@H]1O ZINC001589227067 956808409 /nfs/dbraw/zinc/80/84/09/956808409.db2.gz OVQDACSYXKRMOM-JTQLQIEISA-N -1 0 307.306 -0.052 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N(C)CCC(=O)[O-])C[C@@H](C)O1 ZINC001593989306 956816211 /nfs/dbraw/zinc/81/62/11/956816211.db2.gz GWVXIGZUVLUDAL-ZJUUUORDSA-N -1 0 302.327 -0.818 20 0 DBADRM CC1(C)CN([C@H]2CCN(CC(=O)[O-])C2=O)CCS1(=O)=O ZINC001589231298 956821186 /nfs/dbraw/zinc/82/11/86/956821186.db2.gz DCRVVSRQWDXXLZ-VIFPVBQESA-N -1 0 304.368 -0.819 20 0 DBADRM CC1(C)CN(CCNC(=O)NCCOCC(=O)[O-])CCO1 ZINC001589231606 956828079 /nfs/dbraw/zinc/82/80/79/956828079.db2.gz WCVRFGNVARUWJJ-UHFFFAOYSA-N -1 0 303.359 -0.502 20 0 DBADRM COCC[C@@H](COC)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593990326 956834375 /nfs/dbraw/zinc/83/43/75/956834375.db2.gz BUPNQTVMDDUHCT-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM CC1(C)CNC(=O)[C@H]1NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589232364 956836367 /nfs/dbraw/zinc/83/63/67/956836367.db2.gz SMLSMVGLWSUKKI-SNVBAGLBSA-N -1 0 307.306 -0.813 20 0 DBADRM CC1(C)[C@H]2[C@H](CCCN2CCS(=O)(=O)CC(=O)[O-])[C@@H]1O ZINC001589237750 956844835 /nfs/dbraw/zinc/84/48/35/956844835.db2.gz ATDQNSIAELEXRY-WCQGTBRESA-N -1 0 305.396 -0.033 20 0 DBADRM COCC[C@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)C(N)=O ZINC001593991338 956852099 /nfs/dbraw/zinc/85/20/99/956852099.db2.gz ZWDNZAIQCDKUPN-AEJSXWLSSA-N -1 0 302.327 -0.737 20 0 DBADRM COCCCCNC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001593993396 956858690 /nfs/dbraw/zinc/85/86/90/956858690.db2.gz GUINSQZDIOMNLD-ZDUSSCGKSA-N -1 0 304.343 -0.075 20 0 DBADRM CC1(C)OCC[C@@H]1NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589239735 956867895 /nfs/dbraw/zinc/86/78/95/956867895.db2.gz JUDHLTFKXUKCIP-VIFPVBQESA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@]1(CCCC(=O)N2CCO[C@H](C(=O)[O-])C2)NC(=O)NC1=O ZINC001589239914 956871576 /nfs/dbraw/zinc/87/15/76/956871576.db2.gz UUCDRBQAHGJMCL-ISVAXAHUSA-N -1 0 313.310 -0.933 20 0 DBADRM CC1(C)OC[C@@H]2C[C@@]21NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589240065 956873857 /nfs/dbraw/zinc/87/38/57/956873857.db2.gz MYKWDOSZKLDRAC-FEUHOPSXSA-N -1 0 310.350 -0.007 20 0 DBADRM CC1(C)OCC[C@@H]1Cn1nnnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001589240102 956874448 /nfs/dbraw/zinc/87/44/48/956874448.db2.gz NGAZPAVIRLUYRJ-NXEZZACHSA-N -1 0 311.342 -0.222 20 0 DBADRM C[C@@]1(CC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCS(=O)(=O)N1 ZINC001589240194 956875615 /nfs/dbraw/zinc/87/56/15/956875615.db2.gz YANLGVSXCHLSEU-PTRXPTGYSA-N -1 0 304.368 -0.172 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NC1COC(C)(C)OC1)C(=O)[O-] ZINC001589240294 956876888 /nfs/dbraw/zinc/87/68/88/956876888.db2.gz OYFCIAKPAKSTEA-UHFFFAOYSA-N -1 0 316.354 -0.129 20 0 DBADRM C[C@]1([C@@H]2CCCN(C(=O)COCC(=O)[O-])C2)COC(=O)N1 ZINC001589240533 956882168 /nfs/dbraw/zinc/88/21/68/956882168.db2.gz USWPZHDFNPJJHB-NOZJJQNGSA-N -1 0 300.311 -0.175 20 0 DBADRM CC1(C)OCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001589240759 956884650 /nfs/dbraw/zinc/88/46/50/956884650.db2.gz XTMXGCHCZSQMKA-UWVGGRQHSA-N -1 0 314.338 -0.770 20 0 DBADRM CN1CCN(C(=O)C2(S(C)(=O)=O)CC2)C[C@H](C(=O)[O-])C1 ZINC001598603663 1017333690 /nfs/dbraw/zinc/33/36/90/1017333690.db2.gz KBVFEEIDXAWKOO-SECBINFHSA-N -1 0 304.368 -0.962 20 0 DBADRM COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H](C)C(=O)[O-])CC1=O ZINC001593995707 956893213 /nfs/dbraw/zinc/89/32/13/956893213.db2.gz PRWZSVHXAHGFIS-GHMZBOCLSA-N -1 0 315.370 -0.998 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001593996675 956898721 /nfs/dbraw/zinc/89/87/21/956898721.db2.gz HCEKDIYWTHQJAK-NSHDSACASA-N -1 0 308.356 -0.982 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)c1cc(C(=O)[O-])nn1C ZINC001593997079 956904008 /nfs/dbraw/zinc/90/40/08/956904008.db2.gz DLVRNBXROURJMT-UHFFFAOYSA-N -1 0 312.326 -0.705 20 0 DBADRM O=C([O-])[C@@H]1CCCN1Cc1cn(CC(=O)NCC2CC2)nn1 ZINC001594714515 956910409 /nfs/dbraw/zinc/91/04/09/956910409.db2.gz KJWIKIAAVJDLPS-LBPRGKRZSA-N -1 0 307.354 -0.147 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCCC2)N[C@@]1(C(=O)[O-])CCOC1 ZINC001594714862 956915083 /nfs/dbraw/zinc/91/50/83/956915083.db2.gz OVJGRUVWSGFKIU-AWEZNQCLSA-N -1 0 324.337 -0.869 20 0 DBADRM C[C@]1(NC(=O)NCCOCCOCC(=O)[O-])CCCOC1 ZINC001589245996 956918076 /nfs/dbraw/zinc/91/80/76/956918076.db2.gz CHGJVAMXTCGQLZ-ZDUSSCGKSA-N -1 0 304.343 -0.028 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(C)(C)NS(C)(=O)=O ZINC001594001157 956930163 /nfs/dbraw/zinc/93/01/63/956930163.db2.gz MVBLPFCWNOBAED-UHFFFAOYSA-N -1 0 310.372 -0.736 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CO[C@H](C)C1 ZINC001594001464 956932760 /nfs/dbraw/zinc/93/27/60/956932760.db2.gz RFLZUPJGOBYVCR-NXEZZACHSA-N -1 0 302.327 -0.770 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCC(OC)CC1 ZINC001594001487 956933209 /nfs/dbraw/zinc/93/32/09/956933209.db2.gz SKRBBDAMTKFTAP-UHFFFAOYSA-N -1 0 316.354 -0.427 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)C1(C(=O)OC)CCC1 ZINC001594001774 956934444 /nfs/dbraw/zinc/93/44/44/956934444.db2.gz KZTMGACTFXOIJZ-UHFFFAOYSA-N -1 0 309.340 -0.555 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC001594002148 956937811 /nfs/dbraw/zinc/93/78/11/956937811.db2.gz BCFSCONAYRMIJJ-SNVBAGLBSA-N -1 0 322.383 -0.640 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C[C@H]1CCCS1(=O)=O ZINC001594002859 956942470 /nfs/dbraw/zinc/94/24/70/956942470.db2.gz UEJSWYYGTLJSCV-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM CC1(Cn2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)nn2)COC1 ZINC001589247609 956945273 /nfs/dbraw/zinc/94/52/73/956945273.db2.gz PPSGLGHOZVKBKG-SNVBAGLBSA-N -1 0 310.310 -0.760 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)C1=C2CCCN=C2NN1 ZINC001594719406 956958301 /nfs/dbraw/zinc/95/83/01/956958301.db2.gz RBNQGGXQCDHQAP-NSHDSACASA-N -1 0 315.333 -0.252 20 0 DBADRM CC1(O)CCC(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC001589250052 956958542 /nfs/dbraw/zinc/95/85/42/956958542.db2.gz WDHSDLXFJVXTOO-XIRUVYRFSA-N -1 0 314.338 -0.892 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCCN1CCO[C@H](C)C1 ZINC001594005770 956972433 /nfs/dbraw/zinc/97/24/33/956972433.db2.gz XVTYPJXBPOUTTB-GFCCVEGCSA-N -1 0 317.386 -0.160 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2cncc(N3CCOCC3)c2)CCOC1 ZINC001594723888 956983812 /nfs/dbraw/zinc/98/38/12/956983812.db2.gz NKJCLCLUUFTYLL-HNNXBMFYSA-N -1 0 321.333 -0.108 20 0 DBADRM CC1=C(C(=O)N(C)C)[C@@H](c2cc(C(=O)[O-])nn2C)NC(=S)N1 ZINC001589255273 956985061 /nfs/dbraw/zinc/98/50/61/956985061.db2.gz UCLTTWJVVPCVKL-SNVBAGLBSA-N -1 0 323.378 -0.001 20 0 DBADRM CC1=C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[C@H](C)n2nnnc2N1C ZINC001589256227 956991708 /nfs/dbraw/zinc/99/17/08/956991708.db2.gz LLMVGAWERVJVCL-XHNCKOQMSA-N -1 0 306.326 -0.063 20 0 DBADRM CCNC(=O)CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000013277302 957008244 /nfs/dbraw/zinc/00/82/44/957008244.db2.gz ZLDUAAQSGHEHKG-UHFFFAOYSA-N -1 0 301.324 -0.420 20 0 DBADRM COCCN1CCCN(C(=O)c2cc(C(=O)[O-])nn2C)CC1=O ZINC001594015318 957030620 /nfs/dbraw/zinc/03/06/20/957030620.db2.gz UMGDGSUAECHPHY-UHFFFAOYSA-N -1 0 324.337 -0.561 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)C1 ZINC001594730995 957039676 /nfs/dbraw/zinc/03/96/76/957039676.db2.gz IUAKZYOTAZGZAO-GARJFASQSA-N -1 0 323.349 -0.811 20 0 DBADRM COCCNC(=O)C1CCN(C(=O)[C@H](OC)C(=O)[O-])CC1 ZINC001594016306 957040728 /nfs/dbraw/zinc/04/07/28/957040728.db2.gz YUVVCBAKHVNCFC-JTQLQIEISA-N -1 0 302.327 -0.913 20 0 DBADRM COCCOCCc1ncc(C(=O)NC[C@](C)(O)C(=O)[O-])[nH]1 ZINC001594017645 957045962 /nfs/dbraw/zinc/04/59/62/957045962.db2.gz QRLVWVQYXGQXDC-ZDUSSCGKSA-N -1 0 315.326 -0.819 20 0 DBADRM COCCO[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001594017745 957047271 /nfs/dbraw/zinc/04/72/71/957047271.db2.gz BDSJJPWOBOJDAQ-AXFHLTTASA-N -1 0 314.338 -0.770 20 0 DBADRM COCCOC[C@@H](C)NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001594017796 957048206 /nfs/dbraw/zinc/04/82/06/957048206.db2.gz DCPWUAQXRXICBE-YGRLFVJLSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCOC[C@H]1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594018280 957051883 /nfs/dbraw/zinc/05/18/83/957051883.db2.gz QNHKYUMKTRXLHQ-GXSJLCMTSA-N -1 0 300.311 -0.273 20 0 DBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594018638 957059842 /nfs/dbraw/zinc/05/98/42/957059842.db2.gz WYOBERIYLUQRTH-FIQHERPVSA-N -1 0 316.354 -0.031 20 0 DBADRM COCCO[C@H]1C[C@H](CO)CN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C1 ZINC001594018933 957064519 /nfs/dbraw/zinc/06/45/19/957064519.db2.gz OQXKQSVTSRCWTQ-RVMXOQNASA-N -1 0 315.366 -0.030 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001589263530 957068122 /nfs/dbraw/zinc/06/81/22/957068122.db2.gz QLQVUBPSSSJDPI-SNVBAGLBSA-N -1 0 313.354 -0.212 20 0 DBADRM COCCO[C@H]1C[C@H](CO)CN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C1 ZINC001594019213 957069401 /nfs/dbraw/zinc/06/94/01/957069401.db2.gz VBJWEMTVVVAJRF-YXMPFFBPSA-N -1 0 315.366 -0.030 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCc3nnnn3CC2)cn1 ZINC001594736723 957076775 /nfs/dbraw/zinc/07/67/75/957076775.db2.gz JJYUQZYUAQDUMO-VIFPVBQESA-N -1 0 302.294 -0.099 20 0 DBADRM COCCS(=O)(=O)CC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001594021737 957084654 /nfs/dbraw/zinc/08/46/54/957084654.db2.gz JXBHCGPVCZKYFK-UHFFFAOYSA-N -1 0 302.308 -0.221 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001594021821 957086766 /nfs/dbraw/zinc/08/67/66/957086766.db2.gz MMUJLVZJEBWCJC-ZJUUUORDSA-N -1 0 307.368 -0.383 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2ccc(C(=O)[O-])s2)c1=O ZINC000035425520 957210198 /nfs/dbraw/zinc/21/01/98/957210198.db2.gz DEIUTDRSZCXBRK-UHFFFAOYSA-N -1 0 309.303 -0.055 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC[C@@H](CO)C2)cn1 ZINC000036227201 957227083 /nfs/dbraw/zinc/22/70/83/957227083.db2.gz LBMMRFBGICBXCO-SECBINFHSA-N -1 0 303.340 -0.639 20 0 DBADRM CN(C)S(=O)(=O)c1cccc(C(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000036825335 957238290 /nfs/dbraw/zinc/23/82/90/957238290.db2.gz OPPMBPBRYRJUOW-SNVBAGLBSA-N -1 0 316.335 -0.888 20 0 DBADRM CSc1nc(=O)[nH]c(C)c1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000036972225 957250883 /nfs/dbraw/zinc/25/08/83/957250883.db2.gz ODGHIUOLRSPGJG-VDTYLAMSSA-N -1 0 301.324 -0.224 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CCNC(=O)c1cccs1 ZINC000036976522 957253532 /nfs/dbraw/zinc/25/35/32/957253532.db2.gz KEWJIKMNEPZMSS-BDAKNGLRSA-N -1 0 312.347 -0.086 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000037226221 957266983 /nfs/dbraw/zinc/26/69/83/957266983.db2.gz ODNDUVQBFXIGBI-VIFPVBQESA-N -1 0 321.282 -0.664 20 0 DBADRM COC(=O)CNS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000037238633 957267117 /nfs/dbraw/zinc/26/71/17/957267117.db2.gz YZMKPFSIFKMFIJ-UHFFFAOYSA-N -1 0 317.319 -0.009 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000037226212 957267168 /nfs/dbraw/zinc/26/71/68/957267168.db2.gz ADHLHNQLWGDFTC-ZETCQYMHSA-N -1 0 321.307 -0.593 20 0 DBADRM CC(C)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1 ZINC000037431688 957285487 /nfs/dbraw/zinc/28/54/87/957285487.db2.gz OBRNNTDLBFTXDK-KOLCDFICSA-N -1 0 300.355 -0.169 20 0 DBADRM CS(=O)(=O)Nc1ccc(C(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000037451157 957295133 /nfs/dbraw/zinc/29/51/33/957295133.db2.gz IWVUYJMKYFQZET-SECBINFHSA-N -1 0 302.308 -0.767 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCO)CCO ZINC000037498246 957305542 /nfs/dbraw/zinc/30/55/42/957305542.db2.gz WLRSYWLRPMHOSV-UHFFFAOYSA-N -1 0 319.335 -0.631 20 0 DBADRM C[C@@H](CN1CCOCC1)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037732157 957322971 /nfs/dbraw/zinc/32/29/71/957322971.db2.gz HSZGFVREJUZJOB-QMMMGPOBSA-N -1 0 318.355 -0.893 20 0 DBADRM COC(=O)[C@H]1CCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037731969 957323209 /nfs/dbraw/zinc/32/32/09/957323209.db2.gz SAXAPDMCSWZGMT-SSDOTTSWSA-N -1 0 303.296 -0.566 20 0 DBADRM CN(CC(=O)NC1CC1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037732047 957323517 /nfs/dbraw/zinc/32/35/17/957323517.db2.gz JBXAYKQNKXEYOD-UHFFFAOYSA-N -1 0 302.312 -0.993 20 0 DBADRM C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037838278 957333895 /nfs/dbraw/zinc/33/38/95/957333895.db2.gz FIXZEUSBDGYPQW-RNFRBKRXSA-N -1 0 316.339 -0.618 20 0 DBADRM C[C@]12CCC(=O)N1[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])CS2 ZINC000040394124 957361880 /nfs/dbraw/zinc/36/18/80/957361880.db2.gz LTFVZOOWRIBFIM-LWIGBJQBSA-N -1 0 314.363 -0.513 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)N[C@@]2(C(=O)[O-])CCSC2)C1 ZINC000043508954 957433708 /nfs/dbraw/zinc/43/37/08/957433708.db2.gz CWMXEUKLCBSXMQ-UFBFGSQYSA-N -1 0 301.368 -0.146 20 0 DBADRM O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@]1(C(=O)[O-])CCSC1 ZINC000043511081 957434070 /nfs/dbraw/zinc/43/40/70/957434070.db2.gz XCIPOHJSPNGTQL-KWQFWETISA-N -1 0 307.393 -0.112 20 0 DBADRM O=C([O-])CN1CCN(S(=O)(=O)c2cncc(F)c2)CC1 ZINC000044260658 957443895 /nfs/dbraw/zinc/44/38/95/957443895.db2.gz QJUFNFHXYTZGDU-UHFFFAOYSA-N -1 0 303.315 -0.388 20 0 DBADRM CCOC(=O)CCN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000045699415 957453474 /nfs/dbraw/zinc/45/34/74/957453474.db2.gz FNAKJVCDSGQEJR-UHFFFAOYSA-N -1 0 322.383 -0.087 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)CC1 ZINC000052007951 957508978 /nfs/dbraw/zinc/50/89/78/957508978.db2.gz DIAHFJFGYZKAOQ-GHMZBOCLSA-N -1 0 306.384 -0.079 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCOCCO)ccc1F ZINC000052925607 957515509 /nfs/dbraw/zinc/51/55/09/957515509.db2.gz DQEHHHXUVKBUTR-UHFFFAOYSA-N -1 0 307.299 -0.189 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000390256692 972272186 /nfs/dbraw/zinc/27/21/86/972272186.db2.gz NLLLGNRHHBCIGT-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cc1 ZINC000390315508 972274776 /nfs/dbraw/zinc/27/47/76/972274776.db2.gz DORNRLQZCRFJMN-UHFFFAOYSA-N -1 0 315.289 -0.228 20 0 DBADRM O=C([O-])c1csc(S(=O)(=O)N2CCNC(=O)CC2)c1 ZINC000060060053 957569821 /nfs/dbraw/zinc/56/98/21/957569821.db2.gz ILXUGVHUQKFJTM-UHFFFAOYSA-N -1 0 304.349 -0.043 20 0 DBADRM CN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C(=O)[O-] ZINC000061151076 957575632 /nfs/dbraw/zinc/57/56/32/957575632.db2.gz SNGREBVIUDKAJJ-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM CCn1cc(CNC(=O)NCCn2cc(C(=O)[O-])nn2)cn1 ZINC000390346451 972277387 /nfs/dbraw/zinc/27/73/87/972277387.db2.gz HTTOTTIIGRLWEV-UHFFFAOYSA-N -1 0 307.314 -0.308 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)NCCNS(C)(=O)=O)C1 ZINC000062873944 957617140 /nfs/dbraw/zinc/61/71/40/957617140.db2.gz OTVQOTOFXAGOPZ-LLVKDONJSA-N -1 0 307.372 -0.568 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000070523375 957679495 /nfs/dbraw/zinc/67/94/95/957679495.db2.gz PEBSWMLLZHSPPD-DTWKUNHWSA-N -1 0 315.351 -0.344 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000070523378 957679963 /nfs/dbraw/zinc/67/99/63/957679963.db2.gz PEBSWMLLZHSPPD-BDAKNGLRSA-N -1 0 315.351 -0.344 20 0 DBADRM COCCc1noc(CN(C)C(=O)c2cc(C(=O)[O-])n[nH]2)n1 ZINC001594022904 957682053 /nfs/dbraw/zinc/68/20/53/957682053.db2.gz YGMVVYUQAJTOHU-UHFFFAOYSA-N -1 0 309.282 -0.048 20 0 DBADRM C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485361823 1013157487 /nfs/dbraw/zinc/15/74/87/1013157487.db2.gz NHONPHFUUGCRTB-IUCAKERBSA-N -1 0 310.358 -0.885 20 0 DBADRM COCCn1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])nn1 ZINC001594024533 957696878 /nfs/dbraw/zinc/69/68/78/957696878.db2.gz PCKYJEIMWSQEBC-NSHDSACASA-N -1 0 319.321 -0.255 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c1=O ZINC001574746196 957706743 /nfs/dbraw/zinc/70/67/43/957706743.db2.gz WSUVKOSBKNRBTP-SCVCMEIPSA-N -1 0 322.317 -0.533 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCC[C@@H]2CNC(=O)C2)c1=O ZINC001574746428 957708434 /nfs/dbraw/zinc/70/84/34/957708434.db2.gz YOBGMDCNBLFMCF-VIFPVBQESA-N -1 0 307.306 -0.811 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1 ZINC001330606563 957724024 /nfs/dbraw/zinc/72/40/24/957724024.db2.gz PCBCGIDCTIWRNQ-OAHLLOKOSA-N -1 0 311.382 -0.232 20 0 DBADRM COCc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)ncn1 ZINC001594027927 957725435 /nfs/dbraw/zinc/72/54/35/957725435.db2.gz KMSDVRKVWHWZIN-DTWKUNHWSA-N -1 0 322.321 -0.069 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)n(C)n1 ZINC001594279725 957733492 /nfs/dbraw/zinc/73/34/92/957733492.db2.gz NCUFIJGKGMKJTD-SNVBAGLBSA-N -1 0 308.338 -0.076 20 0 DBADRM COCc1ccccc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001594028820 957737418 /nfs/dbraw/zinc/73/74/18/957737418.db2.gz DBNFYDOJYGCDFB-AWEZNQCLSA-N -1 0 310.306 -0.277 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)NCCN1CCOCC1 ZINC000075102558 957740360 /nfs/dbraw/zinc/74/03/60/957740360.db2.gz FRHIWYUCVKWRAR-UHFFFAOYSA-N -1 0 314.363 -0.005 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000075241442 957742292 /nfs/dbraw/zinc/74/22/92/957742292.db2.gz RFNCPLGKCHBHIG-NSHDSACASA-N -1 0 320.301 -0.376 20 0 DBADRM COCn1ncc(C)c1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594031251 957761043 /nfs/dbraw/zinc/76/10/43/957761043.db2.gz LLOMKVROARSMOV-LLVKDONJSA-N -1 0 317.367 -0.521 20 0 DBADRM COCn1ccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])n1 ZINC001594031571 957766812 /nfs/dbraw/zinc/76/68/12/957766812.db2.gz ZZTWBBAIVMDSLB-VIFPVBQESA-N -1 0 312.326 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C1CC1 ZINC001574777599 957774652 /nfs/dbraw/zinc/77/46/52/957774652.db2.gz WKIVRUKWXMUMSG-WDEREUQCSA-N -1 0 321.333 -0.504 20 0 DBADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCN(CC(N)=O)CC2)c1 ZINC001594285647 957775217 /nfs/dbraw/zinc/77/52/17/957775217.db2.gz VIEAZWUTBRZIPP-UHFFFAOYSA-N -1 0 305.334 -0.064 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)CC2 ZINC001594032983 957778159 /nfs/dbraw/zinc/77/81/59/957778159.db2.gz KWJVKKCVCVLQNG-LKFCYVNXSA-N -1 0 324.337 -0.511 20 0 DBADRM Cc1cc(C(=O)[O-])cc(C(=O)NCCN2CCNC(=O)C2)c1 ZINC001594286109 957780101 /nfs/dbraw/zinc/78/01/01/957780101.db2.gz NCAQOYUDOFIBJW-UHFFFAOYSA-N -1 0 305.334 -0.145 20 0 DBADRM COCc1nn(C)cc1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001594033760 957786510 /nfs/dbraw/zinc/78/65/10/957786510.db2.gz XWFAROLMANHFQM-JTQLQIEISA-N -1 0 311.294 -0.591 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC001334026424 957792301 /nfs/dbraw/zinc/79/23/01/957792301.db2.gz MDRUNSDSLCVLNW-SUNKGSAMSA-N -1 0 300.355 -0.751 20 0 DBADRM CON(C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1)[C@@H](C)C(=O)[O-] ZINC001594035085 957805300 /nfs/dbraw/zinc/80/53/00/957805300.db2.gz UDYTYHVCSUISIJ-BKDNQFJXSA-N -1 0 323.305 -0.180 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000083672015 957831494 /nfs/dbraw/zinc/83/14/94/957831494.db2.gz TZTYKYJMVKNOOU-SNVBAGLBSA-N -1 0 303.336 -0.021 20 0 DBADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000390701067 972300075 /nfs/dbraw/zinc/30/00/75/972300075.db2.gz DWSMZIPFTVTSLE-VIFPVBQESA-N -1 0 303.274 -0.128 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001594041992 957881017 /nfs/dbraw/zinc/88/10/17/957881017.db2.gz IWHSDNAAJLNYDH-ZETCQYMHSA-N -1 0 324.293 -0.757 20 0 DBADRM CO[C@@H]1CCC[C@@H]1S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594042894 957897147 /nfs/dbraw/zinc/89/71/47/957897147.db2.gz QBSLCBNNWPGPJZ-NOHGZBONSA-N -1 0 319.379 -0.083 20 0 DBADRM CON1CCC(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC001594043783 957903253 /nfs/dbraw/zinc/90/32/53/957903253.db2.gz LTWVWZXNWMBWLO-LLVKDONJSA-N -1 0 315.370 -0.399 20 0 DBADRM CON1CCC(NC(=O)C(=O)NCCCCC(=O)[O-])CC1 ZINC001594044393 957909102 /nfs/dbraw/zinc/90/91/02/957909102.db2.gz VRYFUWCLMRCLOR-UHFFFAOYSA-N -1 0 301.343 -0.501 20 0 DBADRM CO[C@@H]1C[C@H]1C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001594044611 957912494 /nfs/dbraw/zinc/91/24/94/957912494.db2.gz WSTTXZFCWJCYKX-MVWJERBFSA-N -1 0 310.350 -0.055 20 0 DBADRM CO[C@@]1(C)C[C@H]1NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594044635 957913863 /nfs/dbraw/zinc/91/38/63/957913863.db2.gz ZCTICYBMYOJDIK-KCJUWKMLSA-N -1 0 305.352 -0.440 20 0 DBADRM Cc1cc(C)nc(S(=O)(=O)CCS(=O)(=O)CC(=O)[O-])c1 ZINC001594301290 957913862 /nfs/dbraw/zinc/91/38/62/957913862.db2.gz TVGTYHOAPHTSHG-UHFFFAOYSA-N -1 0 321.376 -0.028 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1ccnc3n[nH]nc31)C2 ZINC001574825371 957929114 /nfs/dbraw/zinc/92/91/14/957929114.db2.gz SCPSMGWYVYXZSJ-CPFSXVBKSA-N -1 0 303.278 -0.474 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001574825877 957933637 /nfs/dbraw/zinc/93/36/37/957933637.db2.gz BRTWGXVIJZCZRB-VIFPVBQESA-N -1 0 312.303 -0.764 20 0 DBADRM Cc1cc(F)ncc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594310322 958005093 /nfs/dbraw/zinc/00/50/93/958005093.db2.gz NCWDPBLJSCDCNV-SECBINFHSA-N -1 0 316.310 -0.147 20 0 DBADRM CC(C)(C)c1nnsc1C(=O)NCC(=O)NCC(=O)[O-] ZINC000087444373 958011379 /nfs/dbraw/zinc/01/13/79/958011379.db2.gz OGHYSIFDZYRRTL-UHFFFAOYSA-N -1 0 300.340 -0.234 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(CCO)CCO)ccc1C(=O)[O-] ZINC001594313274 958048989 /nfs/dbraw/zinc/04/89/89/958048989.db2.gz DDCCGVSKHNUHEQ-UHFFFAOYSA-N -1 0 310.306 -0.555 20 0 DBADRM Cc1cc(N2CCOC[C@@H]2C(=O)[O-])nc(S(C)(=O)=O)n1 ZINC001594313581 958049377 /nfs/dbraw/zinc/04/93/77/958049377.db2.gz MINLPJCYUFIBKR-MRVPVSSYSA-N -1 0 301.324 -0.522 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cnc1C ZINC001594313806 958051673 /nfs/dbraw/zinc/05/16/73/958051673.db2.gz RWJCAMCGSSNBFT-NSHDSACASA-N -1 0 307.306 -0.051 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccccc1)C(=O)[O-] ZINC000391068508 972315474 /nfs/dbraw/zinc/31/54/74/972315474.db2.gz UIKXUJMJXHLYSL-KOLCDFICSA-N -1 0 322.317 -0.063 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCc2nnn(C)n2)ccc1C(=O)[O-] ZINC001594314548 958057300 /nfs/dbraw/zinc/05/73/00/958057300.db2.gz MBHYMGLUBMZILZ-UHFFFAOYSA-N -1 0 318.293 -0.528 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])cnc1Cl ZINC001594314621 958057319 /nfs/dbraw/zinc/05/73/19/958057319.db2.gz OCAOLHZRYLWDEH-LBPRGKRZSA-N -1 0 315.713 -0.066 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCCCn1ccnc1 ZINC000088771925 958067899 /nfs/dbraw/zinc/06/78/99/958067899.db2.gz MSRCWTONVQGWCD-UHFFFAOYSA-N -1 0 304.372 -0.096 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CO)C2)CC[C@H]1C(=O)[O-] ZINC001348446489 958080781 /nfs/dbraw/zinc/08/07/81/958080781.db2.gz HCLSPDXGGIRZOA-IJLUTSLNSA-N -1 0 312.366 -0.214 20 0 DBADRM CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000090261142 958098695 /nfs/dbraw/zinc/09/86/95/958098695.db2.gz VQTMIWCSIBDIMI-JTQLQIEISA-N -1 0 316.335 -0.888 20 0 DBADRM COc1cc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)ncn1 ZINC001594062337 958100263 /nfs/dbraw/zinc/10/02/63/958100263.db2.gz UEQXTEGYXLYDLO-IUCAKERBSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1cc(NC(=O)C(=O)N([C@H](C)C(=O)[O-])C2CC2)nn1C ZINC001594062233 958100340 /nfs/dbraw/zinc/10/03/40/958100340.db2.gz SKDVPWAYEYVHRL-SSDOTTSWSA-N -1 0 310.310 -0.169 20 0 DBADRM COc1cc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)ncn1 ZINC001594062336 958100737 /nfs/dbraw/zinc/10/07/37/958100737.db2.gz UEQXTEGYXLYDLO-DTWKUNHWSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccn1 ZINC001594062409 958101857 /nfs/dbraw/zinc/10/18/57/958101857.db2.gz YKAISLJBPKSKLZ-SECBINFHSA-N -1 0 309.278 -0.659 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001350312274 958104472 /nfs/dbraw/zinc/10/44/72/958104472.db2.gz BXKZWDPJUOIKTB-ZETCQYMHSA-N -1 0 308.294 -0.641 20 0 DBADRM COc1cc(NC(=O)[C@H](OC)C(=O)[O-])c(C(N)=O)cc1OC ZINC001594062765 958108482 /nfs/dbraw/zinc/10/84/82/958108482.db2.gz CGVJWHMDPFMGGI-JTQLQIEISA-N -1 0 312.278 -0.159 20 0 DBADRM COc1cc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)ncn1 ZINC001594062955 958113183 /nfs/dbraw/zinc/11/31/83/958113183.db2.gz NMEMMKJLLANZRJ-QMMMGPOBSA-N -1 0 308.294 -0.253 20 0 DBADRM NC(=O)CCS(=O)(=O)CCN1CCSC[C@@H]1CC(=O)[O-] ZINC000091131829 958127299 /nfs/dbraw/zinc/12/72/99/958127299.db2.gz NQVSHYAMMOYXRK-VIFPVBQESA-N -1 0 324.424 -0.831 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC000091298113 958136228 /nfs/dbraw/zinc/13/62/28/958136228.db2.gz DDPLRSVZEQWSPJ-VHSXEESVSA-N -1 0 320.367 -0.551 20 0 DBADRM CN1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NCCC(=O)[O-] ZINC001353209729 958153510 /nfs/dbraw/zinc/15/35/10/958153510.db2.gz XPXBFTKTXSOJDJ-LBPRGKRZSA-N -1 0 305.334 -0.120 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001594327402 958186848 /nfs/dbraw/zinc/18/68/48/958186848.db2.gz WVDWPADGKSIPFT-AWEZNQCLSA-N -1 0 310.306 -0.388 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1nc(-c2ccccn2)no1 ZINC000391311872 972328375 /nfs/dbraw/zinc/32/83/75/972328375.db2.gz BZFDVCTVQQUGKI-SNVBAGLBSA-N -1 0 317.305 -0.093 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCCC(=O)NC1CC1 ZINC000092987711 958235606 /nfs/dbraw/zinc/23/56/06/958235606.db2.gz GYYGVZQPBPPCHZ-UHFFFAOYSA-N -1 0 316.339 -0.555 20 0 DBADRM Cc1nc(C)c(CC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c(=O)[nH]1 ZINC001549222103 958254708 /nfs/dbraw/zinc/25/47/08/958254708.db2.gz LUWQDTHVHQXNEF-BONVTDFDSA-N -1 0 321.333 -0.099 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCc1nnnn1C1CC1)C2 ZINC001552396781 958307791 /nfs/dbraw/zinc/30/77/91/958307791.db2.gz ANRDLOJSHRZASY-SDBXPKJASA-N -1 0 322.325 -0.749 20 0 DBADRM CC(C)NC(=O)CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552403253 958314723 /nfs/dbraw/zinc/31/47/23/958314723.db2.gz QOQNNWSSRJGFOW-HZMBPMFUSA-N -1 0 313.354 -0.356 20 0 DBADRM Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(=O)[nH]1 ZINC001594344370 958316649 /nfs/dbraw/zinc/31/66/49/958316649.db2.gz YNOYHGJQVIWCBQ-VIFPVBQESA-N -1 0 314.319 -0.581 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000097057072 958343993 /nfs/dbraw/zinc/34/39/93/958343993.db2.gz SCYVKTWNRGJGSJ-SFYZADRCSA-N -1 0 315.351 -0.344 20 0 DBADRM CCN1C[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1=O ZINC000391469073 972339706 /nfs/dbraw/zinc/33/97/06/972339706.db2.gz KWTBECWKSOXQTH-ZCFIWIBFSA-N -1 0 302.312 -0.993 20 0 DBADRM Cc1conc1CN(C)[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001485377477 1013174536 /nfs/dbraw/zinc/17/45/36/1013174536.db2.gz JPHFLGULFKYQKY-VIFPVBQESA-N -1 0 324.341 -0.378 20 0 DBADRM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000110687151 958395825 /nfs/dbraw/zinc/39/58/25/958395825.db2.gz MGHBMKTVOOHBPF-ZETCQYMHSA-N -1 0 302.312 -0.993 20 0 DBADRM COc1ccc(NC(=O)[C@H](OC)C(=O)[O-])cc1OCC(N)=O ZINC001594101794 958445448 /nfs/dbraw/zinc/44/54/48/958445448.db2.gz RWPXPAWVTJPOND-NSHDSACASA-N -1 0 312.278 -0.403 20 0 DBADRM COc1ccc(NCC(=O)NCC(=O)[O-])cc1S(C)(=O)=O ZINC001594105349 958462514 /nfs/dbraw/zinc/46/25/14/958462514.db2.gz JBLZOCWTXTUNLW-UHFFFAOYSA-N -1 0 316.335 -0.289 20 0 DBADRM COc1ccc(O)cc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001594107223 958477515 /nfs/dbraw/zinc/47/75/15/958477515.db2.gz DWDRWAFJKZFHQU-UHFFFAOYSA-N -1 0 308.290 -0.230 20 0 DBADRM CCc1nnc(CNS(=O)(=O)N(C)CCC(=O)[O-])s1 ZINC000391660233 972354025 /nfs/dbraw/zinc/35/40/25/972354025.db2.gz ALUFEGIZQGSQEO-UHFFFAOYSA-N -1 0 308.385 -0.159 20 0 DBADRM COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NCC(=O)[O-] ZINC001594112124 958519739 /nfs/dbraw/zinc/51/97/39/958519739.db2.gz XIIVBPGIQDGDIM-UHFFFAOYSA-N -1 0 318.307 -0.834 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnsn1 ZINC000124619988 958539175 /nfs/dbraw/zinc/53/91/75/958539175.db2.gz GABUKTOBUKBWQJ-ZCFIWIBFSA-N -1 0 305.337 -0.748 20 0 DBADRM CCOC(=O)CCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000125895070 958570602 /nfs/dbraw/zinc/57/06/02/958570602.db2.gz RKMYPJONUBJJLS-VIFPVBQESA-N -1 0 321.351 -0.570 20 0 DBADRM CCOCCCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000125911390 958573523 /nfs/dbraw/zinc/57/35/23/958573523.db2.gz LGQVTKHLFNEDNO-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc[nH]c1=O ZINC000125955469 958575511 /nfs/dbraw/zinc/57/55/11/958575511.db2.gz GMEBXDHJPIOSDF-MRVPVSSYSA-N -1 0 314.319 -0.499 20 0 DBADRM CCCCNC(=O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000126343929 958588125 /nfs/dbraw/zinc/58/81/25/958588125.db2.gz NFWMPLZKABBMIQ-JTQLQIEISA-N -1 0 306.384 -0.524 20 0 DBADRM CC(=O)N[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC000133949612 958828538 /nfs/dbraw/zinc/82/85/38/958828538.db2.gz SUJNLBKTLJFVJA-VIFPVBQESA-N -1 0 315.351 -0.378 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NCCN1CCOCC1 ZINC000134664074 958844819 /nfs/dbraw/zinc/84/48/19/958844819.db2.gz LYCCIRQZKKMBFY-UHFFFAOYSA-N -1 0 321.380 -0.548 20 0 DBADRM CC(C)NC(=O)CN(C)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134685317 958849983 /nfs/dbraw/zinc/84/99/83/958849983.db2.gz QFQMSKBPOYBBLZ-UHFFFAOYSA-N -1 0 321.380 -0.014 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N[C@H]1CCCNC1=O ZINC000134703436 958854910 /nfs/dbraw/zinc/85/49/10/958854910.db2.gz OEDKAOMEYCYCHH-YFKPBYRVSA-N -1 0 305.337 -0.602 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)NC2(CO)CC2)cc1 ZINC000142969946 958982047 /nfs/dbraw/zinc/98/20/47/958982047.db2.gz BVXKNVFLWUOBAN-UHFFFAOYSA-N -1 0 301.320 -0.047 20 0 DBADRM CO[C@]1(CNS(=O)(=O)c2scnc2C(=O)[O-])CCOC1 ZINC000160020784 959137983 /nfs/dbraw/zinc/13/79/83/959137983.db2.gz JXFGVHCBVMNQMY-JTQLQIEISA-N -1 0 322.364 -0.075 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccn1)c1ncn(C)n1 ZINC000392146945 972416059 /nfs/dbraw/zinc/41/60/59/972416059.db2.gz IGUYHIMLENIENT-SSDOTTSWSA-N -1 0 311.323 -0.052 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000166139422 959299963 /nfs/dbraw/zinc/29/99/63/959299963.db2.gz KENDIDRXULFBBH-VIFPVBQESA-N -1 0 301.343 -0.308 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)NCC2(C(=O)[O-])CC2)CC1 ZINC000167059334 959334292 /nfs/dbraw/zinc/33/42/92/959334292.db2.gz LYXDLTYCOHPDAQ-UHFFFAOYSA-N -1 0 305.356 -0.862 20 0 DBADRM COCC1=CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000167520363 959348979 /nfs/dbraw/zinc/34/89/79/959348979.db2.gz JWGMYNBZMLLPGZ-UHFFFAOYSA-N -1 0 315.351 -0.065 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CN1CCCCCC1=O)C(=O)[O-] ZINC000214173383 959727842 /nfs/dbraw/zinc/72/78/42/959727842.db2.gz GLQWOGGTVGPOCA-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)C(=O)[O-] ZINC000214190580 959730339 /nfs/dbraw/zinc/73/03/39/959730339.db2.gz CRYZMGVEKOARHW-NXEZZACHSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000223688293 959837551 /nfs/dbraw/zinc/83/75/51/959837551.db2.gz LJXVSEUFYRGGRP-UHFFFAOYSA-N -1 0 303.292 -0.155 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@]2(O)CCOC2)cc1 ZINC000227114855 959921112 /nfs/dbraw/zinc/92/11/12/959921112.db2.gz LPEBHIVLXVPQMM-GFCCVEGCSA-N -1 0 301.320 -0.186 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)NC[C@@]1(O)CCOC1 ZINC000227115350 959921360 /nfs/dbraw/zinc/92/13/60/959921360.db2.gz WZQDGZJSVZQZRS-JTQLQIEISA-N -1 0 307.349 -0.124 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000227116402 959922520 /nfs/dbraw/zinc/92/25/20/959922520.db2.gz WJCQPWSXIOTKMR-HQJQHLMTSA-N -1 0 305.308 -0.204 20 0 DBADRM Cn1ccc(CCNS(=O)(=O)c2cnn(CC(=O)[O-])c2)n1 ZINC000227219468 959934983 /nfs/dbraw/zinc/93/49/83/959934983.db2.gz CCTYQHMYWZHDMX-UHFFFAOYSA-N -1 0 313.339 -0.778 20 0 DBADRM COC[C@@H](CCO)NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000228224969 960003832 /nfs/dbraw/zinc/00/38/32/960003832.db2.gz JFZHDMHTMOUUJG-MRVPVSSYSA-N -1 0 307.324 -0.038 20 0 DBADRM CS[C@H](CO)[C@H](C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000228233334 960005658 /nfs/dbraw/zinc/00/56/58/960005658.db2.gz AVYIJAGFOSZMET-IONNQARKSA-N -1 0 323.396 -0.642 20 0 DBADRM CC(C)CNC(=O)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000228690170 960037751 /nfs/dbraw/zinc/03/77/51/960037751.db2.gz GFUNTSTVEBSVFI-UHFFFAOYSA-N -1 0 321.399 -0.610 20 0 DBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@H]1CNC(=O)C1 ZINC000229019793 960051926 /nfs/dbraw/zinc/05/19/26/960051926.db2.gz NFOFURWBEDWRQQ-MRVPVSSYSA-N -1 0 314.319 -0.440 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N[C@@H]2CNC(=O)C2)c1 ZINC000229022600 960053273 /nfs/dbraw/zinc/05/32/73/960053273.db2.gz OBFCRUHRKZDIMN-ZETCQYMHSA-N -1 0 302.283 -0.309 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000229031009 960054016 /nfs/dbraw/zinc/05/40/16/960054016.db2.gz PKQURYHHMCAURM-QMMMGPOBSA-N -1 0 307.299 -0.191 20 0 DBADRM C[C@@H]1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@H](C(=O)[O-])C1 ZINC000229308429 960078291 /nfs/dbraw/zinc/07/82/91/960078291.db2.gz CGGZVIKENWYJFH-GMTAPVOTSA-N -1 0 318.395 -0.525 20 0 DBADRM C[C@H](CCNC(=O)NCCn1cc(C(=O)[O-])nn1)[S@](C)=O ZINC000229851490 960097281 /nfs/dbraw/zinc/09/72/81/960097281.db2.gz CZAZMMLWSYIHBM-ZEDNOMKYSA-N -1 0 317.371 -0.567 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)NCCn2cc(C(=O)[O-])nn2)[nH]1 ZINC000392402192 972480521 /nfs/dbraw/zinc/48/05/21/972480521.db2.gz SGIBCQWKCDDAAL-ZCFIWIBFSA-N -1 0 308.302 -0.537 20 0 DBADRM COCC[C@@](C)(O)CNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000230223015 960131988 /nfs/dbraw/zinc/13/19/88/960131988.db2.gz IYCUDFBUAQJMRN-SNVBAGLBSA-N -1 0 324.380 -0.093 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCSCCCO ZINC000230765824 960162481 /nfs/dbraw/zinc/16/24/81/960162481.db2.gz BBDHVTCFPQNRLV-UHFFFAOYSA-N -1 0 309.369 -0.498 20 0 DBADRM Cn1cc(S(=O)(=O)NCCc2ccnn2C)cc1C(=O)[O-] ZINC000230771628 960164832 /nfs/dbraw/zinc/16/48/32/960164832.db2.gz FGMNYWXDUBXASL-UHFFFAOYSA-N -1 0 312.351 -0.022 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000230986455 960174752 /nfs/dbraw/zinc/17/47/52/960174752.db2.gz DXXGUEZAGMXNAI-VHSXEESVSA-N -1 0 306.384 -0.067 20 0 DBADRM CCc1cnc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)o1 ZINC000231641625 960198457 /nfs/dbraw/zinc/19/84/57/960198457.db2.gz XMKFRHXUQORGKX-UHFFFAOYSA-N -1 0 314.323 -0.003 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)[C@H](C)C(=O)NCCC(C)C)C(=O)[O-] ZINC000232577540 960284096 /nfs/dbraw/zinc/28/40/96/960284096.db2.gz CVYFSSWIBOUWHR-HNLRAMPDSA-N -1 0 320.411 -0.125 20 0 DBADRM CC(C)n1cnnc1SCC(=O)NCC[C@H](O)C(=O)[O-] ZINC000232792735 960298012 /nfs/dbraw/zinc/29/80/12/960298012.db2.gz GQMHVXOMBPJAME-QMMMGPOBSA-N -1 0 302.356 -0.097 20 0 DBADRM C[C@]1(C(N)=O)CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000235749325 960488180 /nfs/dbraw/zinc/48/81/80/960488180.db2.gz WALZNAIHASASJX-NSHDSACASA-N -1 0 301.324 -0.401 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@@H](O)C(F)(F)F)CC1 ZINC000236560209 960708134 /nfs/dbraw/zinc/70/81/34/960708134.db2.gz VGMJHWVDHAAPKO-SSDOTTSWSA-N -1 0 320.289 -0.459 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)NC2(CCO)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001485417954 1013213973 /nfs/dbraw/zinc/21/39/73/1013213973.db2.gz DJHBWZBIEAECTR-WDEREUQCSA-N -1 0 323.397 -0.001 20 0 DBADRM Cn1nnc2cc(C(=O)NC3(C(=O)[O-])CCOCC3)cnc21 ZINC001571084783 961039847 /nfs/dbraw/zinc/03/98/47/961039847.db2.gz OGFSTLVIAWPPDH-UHFFFAOYSA-N -1 0 305.294 -0.273 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000250813975 961229145 /nfs/dbraw/zinc/22/91/45/961229145.db2.gz VXLDVLWWJGVVOK-CABZTGNLSA-N -1 0 304.368 -0.914 20 0 DBADRM NC(=O)c1ncn(CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC001571101690 961233112 /nfs/dbraw/zinc/23/31/12/961233112.db2.gz FXBWMCBQOPBJDP-SECBINFHSA-N -1 0 309.326 -0.520 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](CN2CCOC[C@H]2CC(=O)[O-])C1 ZINC000250945138 961233688 /nfs/dbraw/zinc/23/36/88/961233688.db2.gz LVTSXPXCTMCJAT-VXGBXAGGSA-N -1 0 320.411 -0.167 20 0 DBADRM CC[C@H](C)NC(=O)[C@@H](C)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000251945985 961263565 /nfs/dbraw/zinc/26/35/65/961263565.db2.gz SZWMKMTUXWNBST-HBNTYKKESA-N -1 0 320.411 -0.137 20 0 DBADRM CN1CCN(CC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)CC1=O ZINC001598616263 1017348435 /nfs/dbraw/zinc/34/84/35/1017348435.db2.gz PSALAOMZEKOOSO-CQSZACIVSA-N -1 0 311.382 -0.090 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC000262084911 961445356 /nfs/dbraw/zinc/44/53/56/961445356.db2.gz LAPIVWJOBPOWAT-WDEREUQCSA-N -1 0 318.395 -0.115 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001571125098 961482685 /nfs/dbraw/zinc/48/26/85/961482685.db2.gz BFMMJOPGEWRJBJ-QCLAVDOMSA-N -1 0 315.347 -0.688 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CCC[C@H](CS(N)(=O)=O)C1 ZINC001574466858 961576948 /nfs/dbraw/zinc/57/69/48/961576948.db2.gz IPIVICOIIOHBHA-VIFPVBQESA-N -1 0 316.383 -0.381 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC001571133413 961588873 /nfs/dbraw/zinc/58/88/73/961588873.db2.gz NCZJGPFACZVDEX-UWVGGRQHSA-N -1 0 317.363 -0.344 20 0 DBADRM CCC[C@](C)(NC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-] ZINC000262347776 961659469 /nfs/dbraw/zinc/65/94/69/961659469.db2.gz AUBAWGGENGPFLW-ZDUSSCGKSA-N -1 0 311.342 -0.261 20 0 DBADRM CC(C)CN(CC(=O)[O-])C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000262377218 961681260 /nfs/dbraw/zinc/68/12/60/961681260.db2.gz HRBQMZVUQOVTLF-UHFFFAOYSA-N -1 0 311.342 -0.451 20 0 DBADRM CN1CCN(S(=O)(=O)NCc2cc(C(=O)[O-])co2)CC1 ZINC001598620889 1017350439 /nfs/dbraw/zinc/35/04/39/1017350439.db2.gz FHIPSCWRUDGXPV-UHFFFAOYSA-N -1 0 303.340 -0.440 20 0 DBADRM CN1CCN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])CC1=O ZINC001598620304 1017350501 /nfs/dbraw/zinc/35/05/01/1017350501.db2.gz WOXLCKCSURDYRI-UHFFFAOYSA-N -1 0 316.310 -0.013 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cc(C(=O)[O-])nn2C)O1 ZINC001571164024 961962867 /nfs/dbraw/zinc/96/28/67/961962867.db2.gz ZSOVEADHOUOFQM-GZMMTYOYSA-N -1 0 324.337 -0.516 20 0 DBADRM CC(C)C[C@H](OC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC001588863683 962020338 /nfs/dbraw/zinc/02/03/38/962020338.db2.gz YKCGHSHSBZJSSZ-JTQLQIEISA-N -1 0 308.294 -0.067 20 0 DBADRM CN1CCO[C@@H](C(=O)NCc2ccc(C(=O)[O-])cc2F)C1=O ZINC001598624455 1017354399 /nfs/dbraw/zinc/35/43/99/1017354399.db2.gz XNIGUOIRWFYRSU-NSHDSACASA-N -1 0 310.281 -0.003 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)C1 ZINC001598623413 1017354653 /nfs/dbraw/zinc/35/46/53/1017354653.db2.gz GKXOFSXMFUPSPZ-KOLCDFICSA-N -1 0 310.347 -0.855 20 0 DBADRM O=C([O-])C1(NC(=O)CCn2nnc3ccccc3c2=O)CC1 ZINC000271889684 962780594 /nfs/dbraw/zinc/78/05/94/962780594.db2.gz IXSZLRVUKODIHR-UHFFFAOYSA-N -1 0 302.290 -0.085 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)CC(=O)N[C@@H](C)C(C)C)C(=O)[O-] ZINC000300450041 963009936 /nfs/dbraw/zinc/00/99/36/963009936.db2.gz XIFYHMFWRSYZBL-OEXNIHBPSA-N -1 0 306.384 -0.515 20 0 DBADRM Cn1nnc(Br)c1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000310823305 963437318 /nfs/dbraw/zinc/43/73/18/963437318.db2.gz BYFRWURIBXYFPV-YFKPBYRVSA-N -1 0 319.115 -0.497 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c(Cl)c1 ZINC000312276352 963550513 /nfs/dbraw/zinc/55/05/13/963550513.db2.gz NIUCLCZISXNYMY-IUCAKERBSA-N -1 0 321.738 -0.236 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000312317731 963554022 /nfs/dbraw/zinc/55/40/22/963554022.db2.gz REGMSRLCHDJMGN-SECBINFHSA-N -1 0 307.372 -0.762 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)c1ccnc(C(=O)[O-])c1 ZINC000312409720 963560653 /nfs/dbraw/zinc/56/06/53/963560653.db2.gz MYBILOGZHIEGLK-UHFFFAOYSA-N -1 0 301.324 -0.422 20 0 DBADRM CN(c1cnc(C(=O)[O-])cn1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000312508336 963570436 /nfs/dbraw/zinc/57/04/36/963570436.db2.gz MQVPMIBBAUCFME-MRVPVSSYSA-N -1 0 300.340 -0.355 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000313379745 963639575 /nfs/dbraw/zinc/63/95/75/963639575.db2.gz RABWACRXKFDBGA-MRVPVSSYSA-N -1 0 304.324 -0.856 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000313544249 963665055 /nfs/dbraw/zinc/66/50/55/963665055.db2.gz NIZMSNPIYPHKPI-SNVBAGLBSA-N -1 0 322.270 -0.152 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@](O)(CO)C2)cc1 ZINC000313676742 963674285 /nfs/dbraw/zinc/67/42/85/963674285.db2.gz KULQGQPICJOWNH-ZDUSSCGKSA-N -1 0 315.347 -0.107 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000313984238 963697398 /nfs/dbraw/zinc/69/73/98/963697398.db2.gz WLCPTLWROPWHMP-MRVPVSSYSA-N -1 0 321.326 -0.112 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C#N ZINC000314083534 963709436 /nfs/dbraw/zinc/70/94/36/963709436.db2.gz DXDNZKZAHGVLQL-LLVKDONJSA-N -1 0 311.319 -0.264 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000314098872 963710829 /nfs/dbraw/zinc/71/08/29/963710829.db2.gz BKAQIAPPNQUTFN-MRVPVSSYSA-N -1 0 321.326 -0.112 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)CCN1C(=O)CCC1=O ZINC000314127929 963715039 /nfs/dbraw/zinc/71/50/39/963715039.db2.gz MXXSJPRIPUAVSD-SECBINFHSA-N -1 0 308.294 -0.939 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000314495088 963761577 /nfs/dbraw/zinc/76/15/77/963761577.db2.gz QTZSLNZOFRXKPB-QMMMGPOBSA-N -1 0 315.351 -0.218 20 0 DBADRM COc1ccc(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])nn1 ZINC000314597655 963774617 /nfs/dbraw/zinc/77/46/17/963774617.db2.gz XJEPIQDKEXFIOH-JTQLQIEISA-N -1 0 315.351 -0.441 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000314740572 963801862 /nfs/dbraw/zinc/80/18/62/963801862.db2.gz OHGWKFOWHGDNRX-NWDGAFQWSA-N -1 0 311.382 -0.232 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000314790070 963810314 /nfs/dbraw/zinc/81/03/14/963810314.db2.gz NAZDMODTJKIDAO-SNVBAGLBSA-N -1 0 321.399 -0.514 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@H](CC(F)F)C(=O)[O-])CC1=O ZINC000314856662 963821722 /nfs/dbraw/zinc/82/17/22/963821722.db2.gz WECFRZBOYCAAOI-JGVFFNPUSA-N -1 0 308.281 -0.294 20 0 DBADRM CS(=O)(=O)CC1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000314941700 963832049 /nfs/dbraw/zinc/83/20/49/963832049.db2.gz SGDNHLSQAQWNHZ-MNOVXSKESA-N -1 0 319.379 -0.098 20 0 DBADRM CNC(=O)C=C(N)NO[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001598640244 1017364002 /nfs/dbraw/zinc/36/40/02/1017364002.db2.gz WBJZUDJHHGMJHE-MRVPVSSYSA-N -1 0 300.315 -0.913 20 0 DBADRM COCC[C@@H](NC(=O)c1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000315691600 963926953 /nfs/dbraw/zinc/92/69/53/963926953.db2.gz ZTWRBRHIZVMVKY-LLVKDONJSA-N -1 0 310.306 -0.230 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N(CCO)CC(F)F)on1 ZINC000315822464 963939252 /nfs/dbraw/zinc/93/92/52/963939252.db2.gz STZJXLZSHXVPJE-UHFFFAOYSA-N -1 0 300.239 -0.379 20 0 DBADRM CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315927111 963954404 /nfs/dbraw/zinc/95/44/04/963954404.db2.gz HCCRPWTXJZOVLC-ZCFIWIBFSA-N -1 0 305.312 -0.625 20 0 DBADRM Cc1nc(C(=O)NCCn2cc(C(=O)[O-])nn2)ccc1C#N ZINC000316248847 963994971 /nfs/dbraw/zinc/99/49/71/963994971.db2.gz FIXIBSFFISOCED-UHFFFAOYSA-N -1 0 300.278 -0.019 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)c(F)c1 ZINC000316338993 964004017 /nfs/dbraw/zinc/00/40/17/964004017.db2.gz CUCNRDRLWJRTOT-WCBMZHEXSA-N -1 0 319.310 -0.502 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)C1CCN(C(C)=O)CC1)C(=O)[O-] ZINC000316783795 964054906 /nfs/dbraw/zinc/05/49/06/964054906.db2.gz JSJHMCNLPULRJY-LLVKDONJSA-N -1 0 314.338 -0.233 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)nn1 ZINC000316990147 964084555 /nfs/dbraw/zinc/08/45/55/964084555.db2.gz MSYYQCOPFFBCQR-BDAKNGLRSA-N -1 0 307.310 -0.897 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCCC(=O)N1CCOCC1 ZINC000317046723 964091713 /nfs/dbraw/zinc/09/17/13/964091713.db2.gz PBQASHQOSFJVGO-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C(CCc1ccco1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001485974042 1013472206 /nfs/dbraw/zinc/47/22/06/1013472206.db2.gz VVLLOYOFMQIXLV-SECBINFHSA-N -1 0 309.326 -0.697 20 0 DBADRM CNC(=O)CCCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001598643403 1017366063 /nfs/dbraw/zinc/36/60/63/1017366063.db2.gz XECKFSHHCHTTDK-RKDXNWHRSA-N -1 0 315.326 -0.972 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001598642556 1017366085 /nfs/dbraw/zinc/36/60/85/1017366085.db2.gz SZMRIYZUZREQCA-UHFFFAOYSA-N -1 0 321.333 -0.752 20 0 DBADRM CNC(=O)CN(CC(=O)NC)Cc1ccccc1CC(=O)[O-] ZINC001598642906 1017366101 /nfs/dbraw/zinc/36/61/01/1017366101.db2.gz UHUZTXHPNQRRDF-UHFFFAOYSA-N -1 0 307.350 -0.392 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)N[C@H](C)c2ncccn2)c1[O-] ZINC001485986449 1013503396 /nfs/dbraw/zinc/50/33/96/1013503396.db2.gz CNFKKPLYMFEOJV-ZJUUUORDSA-N -1 0 320.353 -0.345 20 0 DBADRM Cc1nscc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001485990790 1013518508 /nfs/dbraw/zinc/51/85/08/1013518508.db2.gz WQMQUXVYGFSXFI-SSDOTTSWSA-N -1 0 312.355 -0.844 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1CCC(F)(F)C1 ZINC001486002239 1013537140 /nfs/dbraw/zinc/53/71/40/1013537140.db2.gz NAHAWNQQLXPGIQ-SFYZADRCSA-N -1 0 319.312 -0.488 20 0 DBADRM CNC(=O)Cc1noc(CN2CCSC[C@@H]2C(=O)[O-])n1 ZINC001598648465 1017369249 /nfs/dbraw/zinc/36/92/49/1017369249.db2.gz KAXFRUGFYWGITR-SSDOTTSWSA-N -1 0 300.340 -0.640 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001486018750 1013572562 /nfs/dbraw/zinc/57/25/62/1013572562.db2.gz DQTWXUUSPHEBNV-YFKTTZPYSA-N -1 0 323.397 -0.097 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001598652861 1017371151 /nfs/dbraw/zinc/37/11/51/1017371151.db2.gz HBJAGJMBOFFMQV-QWRGUYRKSA-N -1 0 313.354 -0.236 20 0 DBADRM CNC(=O)N[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])nn2C)C1 ZINC001598653673 1017371821 /nfs/dbraw/zinc/37/18/21/1017371821.db2.gz XRBBMPXUBRTLQS-QMMMGPOBSA-N -1 0 309.326 -0.348 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(S(=O)(=O)C2COC2)C1 ZINC001598783366 1017415945 /nfs/dbraw/zinc/41/59/45/1017415945.db2.gz CBZDTPHYQZIQCD-VXNVDRBHSA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)CCCCCS(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001598850361 1017446266 /nfs/dbraw/zinc/44/62/66/1017446266.db2.gz CTSKQKPCQNIXBY-UHFFFAOYSA-N -1 0 309.340 -0.819 20 0 DBADRM CCn1cccc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001486064509 1013648786 /nfs/dbraw/zinc/64/87/86/1013648786.db2.gz VZHMDJQEUYMFCR-SECBINFHSA-N -1 0 308.342 -0.788 20 0 DBADRM CO[C@@H]1CCN(C(=O)CCCS(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC001599120699 1017519254 /nfs/dbraw/zinc/51/92/54/1017519254.db2.gz WXLZCIHMEVKIPM-ZJUUUORDSA-N -1 0 307.368 -0.098 20 0 DBADRM COC[C@@H](CS(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-])OC ZINC001599167290 1017539112 /nfs/dbraw/zinc/53/91/12/1017539112.db2.gz VGAVSTYLOQULEE-NKWVEPMBSA-N -1 0 323.289 -0.027 20 0 DBADRM COCCN(C)S(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001599232013 1017564985 /nfs/dbraw/zinc/56/49/85/1017564985.db2.gz KNCLAISHAQPYLE-VHSXEESVSA-N -1 0 310.372 -0.864 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001599759465 1017626445 /nfs/dbraw/zinc/62/64/45/1017626445.db2.gz VLWWSZXNCFDWOF-SECBINFHSA-N -1 0 306.365 -0.071 20 0 DBADRM NS(=O)(=O)CCCC(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC001601193072 1017823910 /nfs/dbraw/zinc/82/39/10/1017823910.db2.gz KFSPRWOJRQSLTR-MRVPVSSYSA-N -1 0 310.397 -0.526 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC001601519749 1017858664 /nfs/dbraw/zinc/85/86/64/1017858664.db2.gz DIEZIEBBCSZBJK-RITPCOANSA-N -1 0 300.208 -0.064 20 0 DBADRM O=C([O-])[C@@]1(CNS(=O)(=O)c2c[nH]nc2Cl)CCOC1 ZINC001601711033 1017867064 /nfs/dbraw/zinc/86/70/64/1017867064.db2.gz JHXNAAOARDNBSC-SECBINFHSA-N -1 0 309.731 -0.167 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CCn1cc(Cl)cn1 ZINC001601854650 1017890484 /nfs/dbraw/zinc/89/04/84/1017890484.db2.gz SSTXPCAASOGVJO-VIFPVBQESA-N -1 0 307.759 -0.280 20 0 DBADRM C[C@H](C(=O)N1CC(C(=O)[O-])C1)S(=O)(=O)C1CCOCC1 ZINC001603139697 1018123717 /nfs/dbraw/zinc/12/37/17/1018123717.db2.gz GLSMHVRXABHDKK-MRVPVSSYSA-N -1 0 305.352 -0.488 20 0 DBADRM CCCc1nnc(SCC(=O)NC[C@H](F)C(=O)[O-])n1N ZINC001596095769 1017112044 /nfs/dbraw/zinc/11/20/44/1017112044.db2.gz SNOXDFIGDDRUNU-LURJTMIESA-N -1 0 305.335 -0.425 20 0 DBADRM CCC[C@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)C(=O)[O-] ZINC001596015538 1017112143 /nfs/dbraw/zinc/11/21/43/1017112143.db2.gz IBFGNVHBVFUXSI-VIFPVBQESA-N -1 0 307.368 -0.050 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001605245981 1018548708 /nfs/dbraw/zinc/54/87/08/1018548708.db2.gz PKXRJJVEZXDEHZ-XQVHRTOBSA-N -1 0 301.343 -0.445 20 0 DBADRM CCN1C[C@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])CC1=O ZINC000168767370 967678572 /nfs/dbraw/zinc/67/85/72/967678572.db2.gz LBSYSNSCCODSNO-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000230759927 967732066 /nfs/dbraw/zinc/73/20/66/967732066.db2.gz OJAYEHIHKJWBPE-QMMMGPOBSA-N -1 0 309.244 -0.078 20 0 DBADRM CNS(=O)(=O)CCC(=O)OCc1cnc(C(=O)[O-])cn1 ZINC001606302645 1018807534 /nfs/dbraw/zinc/80/75/34/1018807534.db2.gz LMIQVCTUHBKRLQ-UHFFFAOYSA-N -1 0 303.296 -0.843 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001606321534 1018810166 /nfs/dbraw/zinc/81/01/66/1018810166.db2.gz MMVGJUKUYOPLIY-OPRDCNLKSA-N -1 0 323.367 -0.548 20 0 DBADRM CCCS(=O)(=O)CCN1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001595980194 1017113303 /nfs/dbraw/zinc/11/33/03/1017113303.db2.gz KZEJNMCBPRTHST-NXEZZACHSA-N -1 0 307.368 -0.383 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263174018 967858378 /nfs/dbraw/zinc/85/83/78/967858378.db2.gz JQTXHKZSVJAJGH-ZJUUUORDSA-N -1 0 306.384 -0.020 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCN(c2ncccn2)CC1 ZINC000314782296 967969274 /nfs/dbraw/zinc/96/92/74/967969274.db2.gz MHVDMXKCRKIKKL-UHFFFAOYSA-N -1 0 314.367 -0.902 20 0 DBADRM CCCc1nnc(SCC(=O)N[C@@H](CCF)C(=O)[O-])n1N ZINC001596095003 1017113805 /nfs/dbraw/zinc/11/38/05/1017113805.db2.gz DCQMNSGQFOKXPW-ZETCQYMHSA-N -1 0 319.362 -0.035 20 0 DBADRM CCOC(=O)N1CCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC000319574739 968000305 /nfs/dbraw/zinc/00/03/05/968000305.db2.gz VQBGELKPXPUQKF-UHFFFAOYSA-N -1 0 311.298 -0.723 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCC2=CCCOC2)CC1 ZINC000379580064 968070481 /nfs/dbraw/zinc/07/04/81/968070481.db2.gz GMRWXKFHKXWRLR-UHFFFAOYSA-N -1 0 304.368 -0.036 20 0 DBADRM CNc1nc(C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])cs1 ZINC000385134321 968126467 /nfs/dbraw/zinc/12/64/67/968126467.db2.gz HMOKOHXUIIMVGG-LURJTMIESA-N -1 0 301.324 -0.257 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000389919476 968171963 /nfs/dbraw/zinc/17/19/63/968171963.db2.gz FAOTYJHRWDMVFW-HNNXBMFYSA-N -1 0 323.349 -0.350 20 0 DBADRM CCN(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)[C@@H]1CCS(=O)(=O)C1 ZINC000395651281 968224255 /nfs/dbraw/zinc/22/42/55/968224255.db2.gz KXHURHVVSHURBB-APPZFPTMSA-N -1 0 304.324 -0.749 20 0 DBADRM NS(=O)(=O)CCOCCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001608260680 1019139322 /nfs/dbraw/zinc/13/93/22/1019139322.db2.gz RMYFKIAXDVMQDG-VHSXEESVSA-N -1 0 322.383 -0.701 20 0 DBADRM C[C@@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1)S(N)(=O)=O ZINC000398221309 968267036 /nfs/dbraw/zinc/26/70/36/968267036.db2.gz DFOXOTQKOAQRGO-QMMMGPOBSA-N -1 0 315.351 -0.139 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000398836785 968280600 /nfs/dbraw/zinc/28/06/00/968280600.db2.gz NJWIRZGHFPKQPL-UTLUCORTSA-N -1 0 304.368 -0.074 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001610153398 1019635572 /nfs/dbraw/zinc/63/55/72/1019635572.db2.gz RITBBCULKFQCHZ-GZMMTYOYSA-N -1 0 309.340 -0.651 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)C(C)(C)F ZINC001486321285 1013811412 /nfs/dbraw/zinc/81/14/12/1013811412.db2.gz NSKNAINEPHCWSW-QMMMGPOBSA-N -1 0 303.338 -0.491 20 0 DBADRM Cn1nc(CN2CC=C(CNC(=O)CC(C)(C)O)CC2)[n-]c1=O ZINC001486506832 1013852426 /nfs/dbraw/zinc/85/24/26/1013852426.db2.gz QCAYEHSJUDYVRM-UHFFFAOYSA-N -1 0 323.397 -0.482 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]2CN(C)C(=O)CC(N)=O)c1[O-] ZINC001486546464 1013858020 /nfs/dbraw/zinc/85/80/20/1013858020.db2.gz NUCUWWAXPDRYGB-SECBINFHSA-N -1 0 323.353 -0.638 20 0 DBADRM CCC(=O)N[C@H](C)[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001486623895 1013865328 /nfs/dbraw/zinc/86/53/28/1013865328.db2.gz IDDMKTYGZFFRPW-BDAKNGLRSA-N -1 0 320.353 -0.509 20 0 DBADRM C[C@H](C(=O)[O-])N(CC(F)F)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC001589486999 1021250315 /nfs/dbraw/zinc/25/03/15/1021250315.db2.gz XCSACFBEKFUGNC-RQJHMYQMSA-N -1 0 316.326 -0.167 20 0 DBADRM C/C=C(/C)C(=O)N(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001486940750 1013904474 /nfs/dbraw/zinc/90/44/74/1013904474.db2.gz MIUOFRMPRCXATH-TVSKSKRASA-N -1 0 309.326 -0.174 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)C1 ZINC001594888266 970272932 /nfs/dbraw/zinc/27/29/32/970272932.db2.gz AVRWYMHGNRYHDE-VIFPVBQESA-N -1 0 322.277 -0.871 20 0 DBADRM O=C([O-])Cc1occc1C(=O)NCCC(=O)N1CCOCC1 ZINC000317088907 970326898 /nfs/dbraw/zinc/32/68/98/970326898.db2.gz AYAAECYNKVOJDB-UHFFFAOYSA-N -1 0 310.306 -0.115 20 0 DBADRM CNC(=O)c1ccc(N2C[C@H](O)C[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000317225912 970339373 /nfs/dbraw/zinc/33/93/73/970339373.db2.gz IBNQWCSNRYHHQP-LDYMZIIASA-N -1 0 309.278 -0.021 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@H]1C[C@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001487419402 1013985366 /nfs/dbraw/zinc/98/53/66/1013985366.db2.gz IRRQBXQVSYXEKP-CKYFFXLPSA-N -1 0 322.365 -0.176 20 0 DBADRM O=C([O-])c1ccc(NC(=O)NCC(=O)N2CCOCC2)cn1 ZINC000318008848 970402785 /nfs/dbraw/zinc/40/27/85/970402785.db2.gz PWBPAPFLSGMVRK-UHFFFAOYSA-N -1 0 308.294 -0.240 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC000318424876 970432372 /nfs/dbraw/zinc/43/23/72/970432372.db2.gz OUVNMUMELCMPFP-DTWKUNHWSA-N -1 0 315.326 -0.700 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000319722610 970565919 /nfs/dbraw/zinc/56/59/19/970565919.db2.gz PVHUYDKLMXNUMY-NSHDSACASA-N -1 0 320.261 -0.044 20 0 DBADRM O=C([O-])c1cccc(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)c1 ZINC000319987381 970597938 /nfs/dbraw/zinc/59/79/38/970597938.db2.gz SRHSVDVZPSVGSO-JTQLQIEISA-N -1 0 305.290 -0.358 20 0 DBADRM CN1CC(=O)N(CC(=O)Nc2ccc(OCC(=O)[O-])cc2)C1=O ZINC000320371672 970654022 /nfs/dbraw/zinc/65/40/22/970654022.db2.gz FAWRSBIQEXYKTI-UHFFFAOYSA-N -1 0 321.289 -0.018 20 0 DBADRM CCN(CC(C)C)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001596231536 1017120963 /nfs/dbraw/zinc/12/09/63/1017120963.db2.gz PCTDRHJBVHERQW-QWRGUYRKSA-N -1 0 300.355 -0.215 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)Cc2c[nH]cn2)c1[O-] ZINC001487751297 1014028577 /nfs/dbraw/zinc/02/85/77/1014028577.db2.gz LSEDNUAWAZDSDH-QMMMGPOBSA-N -1 0 320.353 -0.034 20 0 DBADRM COCC(=O)N[C@H](C)CN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001487781222 1014034091 /nfs/dbraw/zinc/03/40/91/1014034091.db2.gz MEKHLLLJPREQTD-SECBINFHSA-N -1 0 321.337 -0.754 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CCNC(=O)c1ccco1 ZINC000321307101 970760268 /nfs/dbraw/zinc/76/02/68/970760268.db2.gz AWTUMVIUUHLJCY-SECBINFHSA-N -1 0 323.305 -0.799 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001487856532 1014045300 /nfs/dbraw/zinc/04/53/00/1014045300.db2.gz RLJHZONVPOXVST-IWSPIJDZSA-N -1 0 311.342 -0.692 20 0 DBADRM CC(C)=CC(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001487848275 1014043278 /nfs/dbraw/zinc/04/32/78/1014043278.db2.gz PDBYNNWXWVGXCQ-QMMMGPOBSA-N -1 0 309.326 -0.174 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(C)(CO)CO)cc1C(=O)[O-] ZINC000393874390 972654987 /nfs/dbraw/zinc/65/49/87/972654987.db2.gz XCAFUTAJSWSKAA-UHFFFAOYSA-N -1 0 317.363 -0.038 20 0 DBADRM C[C@H]1C(=O)NCCCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001605053814 972669956 /nfs/dbraw/zinc/66/99/56/972669956.db2.gz YBJWGYDDCCBNDW-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2S(=O)(=O)N(C)CCC(=O)[O-] ZINC000394256666 972691020 /nfs/dbraw/zinc/69/10/20/972691020.db2.gz XUBSNTUNEUFDLE-BSFRTMCYSA-N -1 0 318.395 -0.007 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC[C@@H](O)CC2)cn1 ZINC000394426676 972713344 /nfs/dbraw/zinc/71/33/44/972713344.db2.gz ACJLIVXFBIYHJX-SECBINFHSA-N -1 0 303.340 -0.497 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])C1 ZINC000395266785 972783398 /nfs/dbraw/zinc/78/33/98/972783398.db2.gz NEQNKPGZWXWNLZ-UHFFFAOYSA-N -1 0 319.335 -0.024 20 0 DBADRM C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000395410455 972795931 /nfs/dbraw/zinc/79/59/31/972795931.db2.gz HVEQOQZBPJIPDL-MEBBXXQBSA-N -1 0 306.318 -0.147 20 0 DBADRM Cc1nccc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])n1 ZINC000396432517 972883075 /nfs/dbraw/zinc/88/30/75/972883075.db2.gz VDSBSIWJQJSKKA-SECBINFHSA-N -1 0 313.335 -0.501 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)OC ZINC001596294290 1017122968 /nfs/dbraw/zinc/12/29/68/1017122968.db2.gz OLPXYXLQJXJNTC-VIFPVBQESA-N -1 0 308.356 -0.431 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H](O)[C@H](CO)C2)o1 ZINC000396871959 972946870 /nfs/dbraw/zinc/94/68/70/972946870.db2.gz GNUMXVYJDJGLIG-JGVFFNPUSA-N -1 0 305.308 -0.658 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N2CC[C@@H](O)[C@@H](CO)C2)c1 ZINC000396883089 972947679 /nfs/dbraw/zinc/94/76/79/972947679.db2.gz MBKDQFJLQPNJJS-NXEZZACHSA-N -1 0 316.335 -0.856 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC000396883875 972948217 /nfs/dbraw/zinc/94/82/17/972948217.db2.gz MRYPDWIEXUVALB-JGVFFNPUSA-N -1 0 321.376 -0.190 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC000396905352 972950002 /nfs/dbraw/zinc/95/00/02/972950002.db2.gz YYUKLYNKHUIDRZ-BQBZGAKWSA-N -1 0 322.364 -0.795 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000397064824 972962920 /nfs/dbraw/zinc/96/29/20/972962920.db2.gz SUFGSWSOIBVWKY-NWDGAFQWSA-N -1 0 312.366 -0.166 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000397521344 973005899 /nfs/dbraw/zinc/00/58/99/973005899.db2.gz KJHQKEMWWRVJEY-UHFFFAOYSA-N -1 0 320.298 -0.178 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000397517300 973006451 /nfs/dbraw/zinc/00/64/51/973006451.db2.gz CONMZJZYLKPMPS-UHFFFAOYSA-N -1 0 316.335 -0.388 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000397525534 973008364 /nfs/dbraw/zinc/00/83/64/973008364.db2.gz QNYLPEYUPQBIAL-UHFFFAOYSA-N -1 0 306.296 -0.416 20 0 DBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)NC[C@H](O)CC(=O)[O-])CS2 ZINC000398222936 973085671 /nfs/dbraw/zinc/08/56/71/973085671.db2.gz DCKZCEWWGIFKHX-RWYTXXIDSA-N -1 0 302.352 -0.608 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](O)CC(=O)[O-])o1 ZINC000398256222 973094215 /nfs/dbraw/zinc/09/42/15/973094215.db2.gz AINPRFVWEVTIHG-SSDOTTSWSA-N -1 0 320.323 -0.905 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC[C@H](O)CC(=O)[O-] ZINC000398259236 973094819 /nfs/dbraw/zinc/09/48/19/973094819.db2.gz ATCDZYFJCLKINI-ZJUUUORDSA-N -1 0 300.355 -0.025 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000398265458 973097464 /nfs/dbraw/zinc/09/74/64/973097464.db2.gz NBBPZOWJKICSKW-QMMMGPOBSA-N -1 0 304.280 -0.291 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000398269238 973099882 /nfs/dbraw/zinc/09/98/82/973099882.db2.gz GGFQGBWEUJNZSN-NKWVEPMBSA-N -1 0 312.244 -0.651 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000398276067 973101447 /nfs/dbraw/zinc/10/14/47/973101447.db2.gz SMCBOOQTHRAVMX-RXMQYKEDSA-N -1 0 303.340 -0.263 20 0 DBADRM CS(=O)(=O)Nc1ccc(C(=O)NC[C@@H](O)CC(=O)[O-])cc1 ZINC000398311975 973111090 /nfs/dbraw/zinc/11/10/90/973111090.db2.gz ZPXMMXDXYQQKJQ-JTQLQIEISA-N -1 0 316.335 -0.377 20 0 DBADRM C[C@H](CNC(=O)NCC1(C(=O)[O-])CCCCC1)S(N)(=O)=O ZINC000398363013 973126746 /nfs/dbraw/zinc/12/67/46/973126746.db2.gz MTOIFCKPAZFFAT-SECBINFHSA-N -1 0 321.399 -0.002 20 0 DBADRM O=C([O-])c1csc(S(=O)(=O)NC[C@H]2CNC(=O)C2)c1 ZINC000398395378 973133740 /nfs/dbraw/zinc/13/37/40/973133740.db2.gz KVXACLKVHLDHIB-ZCFIWIBFSA-N -1 0 304.349 -0.139 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC1(CC(=O)[O-])CC1 ZINC000398403810 973136483 /nfs/dbraw/zinc/13/64/83/973136483.db2.gz XVLYXCJPCFBWEK-SECBINFHSA-N -1 0 320.367 -0.144 20 0 DBADRM C[C@H](CCCCO)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000398812006 973173170 /nfs/dbraw/zinc/17/31/70/973173170.db2.gz YJJLHQVQELHALU-SECBINFHSA-N -1 0 305.356 -0.203 20 0 DBADRM C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000398890714 973180057 /nfs/dbraw/zinc/18/00/57/973180057.db2.gz MRGGLCFLTKZILH-RLBGWGEZSA-N -1 0 323.396 -0.645 20 0 DBADRM CCN(CC)C(=O)CNC(=O)COCc1ocnc1C(=O)[O-] ZINC001596247907 1017124013 /nfs/dbraw/zinc/12/40/13/1017124013.db2.gz YKCUNEMTGPIHQR-UHFFFAOYSA-N -1 0 313.310 -0.126 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)NCC2(C(=O)[O-])CC2)CC1 ZINC000400184507 973258690 /nfs/dbraw/zinc/25/86/90/973258690.db2.gz ISHWDGSYXSKXMM-UHFFFAOYSA-N -1 0 319.383 -0.426 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000400245764 973262771 /nfs/dbraw/zinc/26/27/71/973262771.db2.gz ZDEKRULJJMZWDY-QMMMGPOBSA-N -1 0 301.324 -0.523 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCC(CCO)CC2)nn1 ZINC000401061440 973339471 /nfs/dbraw/zinc/33/94/71/973339471.db2.gz GMOBYAAZGMAXSO-UHFFFAOYSA-N -1 0 311.342 -0.220 20 0 DBADRM CCc1nn(CC(=O)N2CCC(C(=O)[O-])CC2)c(=O)n1CC ZINC000401313478 973354694 /nfs/dbraw/zinc/35/46/94/973354694.db2.gz WXEBISOQVYLNST-UHFFFAOYSA-N -1 0 310.354 -0.050 20 0 DBADRM Cc1nc(SCC(=O)NC2(C(=O)[O-])CC(CO)C2)n[nH]1 ZINC001571072174 1025808135 /nfs/dbraw/zinc/80/81/35/1025808135.db2.gz NCVAWZOBSQTECU-UHFFFAOYSA-N -1 0 300.340 -0.453 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC1(n2cccn2)CC1 ZINC001571079653 1025814090 /nfs/dbraw/zinc/81/40/90/1025814090.db2.gz MKTLSPVTFVWZLY-UHFFFAOYSA-N -1 0 302.356 -0.387 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401785415 973390696 /nfs/dbraw/zinc/39/06/96/973390696.db2.gz KARLAROUIZQXSS-DCAQKATOSA-N -1 0 315.370 -0.232 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401801043 973396909 /nfs/dbraw/zinc/39/69/09/973396909.db2.gz UCLMOQYYSBCVAK-UTUOFQBUSA-N -1 0 315.370 -0.816 20 0 DBADRM C[C@@H]1[C@H](NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CCS1(=O)=O ZINC000401811574 973409236 /nfs/dbraw/zinc/40/92/36/973409236.db2.gz DNECKRYMWXLTHG-ZYUZMQFOSA-N -1 0 320.367 -0.961 20 0 DBADRM CCOC(=O)CCCNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401815846 973414252 /nfs/dbraw/zinc/41/42/52/973414252.db2.gz IAQBQMVYVSMWEC-NXEZZACHSA-N -1 0 302.327 -0.193 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401819802 973418784 /nfs/dbraw/zinc/41/87/84/973418784.db2.gz JVDXVMPMWGTDMH-NXEZZACHSA-N -1 0 301.343 -0.668 20 0 DBADRM CC(C)S(=O)(=O)CCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401844528 973443395 /nfs/dbraw/zinc/44/33/95/973443395.db2.gz WBFLFMDTPVUOCY-ZJUUUORDSA-N -1 0 322.383 -0.713 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1 ZINC000401845635 973444973 /nfs/dbraw/zinc/44/49/73/973444973.db2.gz ARCLQIQXCBHAJC-VXGBXAGGSA-N -1 0 321.333 -0.238 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)CNC(=O)c2cccc(F)c2)C1 ZINC000401881367 973488668 /nfs/dbraw/zinc/48/86/68/973488668.db2.gz OCNZLHQSEGXCQO-ZYHUDNBSSA-N -1 0 324.308 -0.151 20 0 DBADRM CC(C)C(=O)NCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401889629 973496493 /nfs/dbraw/zinc/49/64/93/973496493.db2.gz NBHGPBYUMLMXMD-ZJUUUORDSA-N -1 0 301.343 -0.764 20 0 DBADRM COCCOCCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401904870 973513418 /nfs/dbraw/zinc/51/34/18/973513418.db2.gz QHIFVERSKIEHQC-MNOVXSKESA-N -1 0 304.343 -0.484 20 0 DBADRM CC(C)CNC(=O)NC(=O)CN1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401908499 973519686 /nfs/dbraw/zinc/51/96/86/973519686.db2.gz RUTNURUUWSPLPB-NXEZZACHSA-N -1 0 301.343 -0.764 20 0 DBADRM COC[C@@]1(C(=O)[O-])CC[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC001604541942 973529185 /nfs/dbraw/zinc/52/91/85/973529185.db2.gz MXGSMVBCSUFIGB-SWLSCSKDSA-N -1 0 322.365 -0.052 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(Cc2nnnn2-c2ccccc2)C1 ZINC000401940350 973547045 /nfs/dbraw/zinc/54/70/45/973547045.db2.gz FQTZYVSUFZDKPE-ZYHUDNBSSA-N -1 0 303.322 -0.070 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000401964646 973569016 /nfs/dbraw/zinc/56/90/16/973569016.db2.gz COTGOFFOGGTVNJ-YNEHKIRRSA-N -1 0 324.377 -0.071 20 0 DBADRM CCn1cnc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC000401965722 973570366 /nfs/dbraw/zinc/57/03/66/973570366.db2.gz DVJWKEDBNHQQMW-IUCAKERBSA-N -1 0 303.340 -0.641 20 0 DBADRM CCn1cnc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1 ZINC000401965720 973570988 /nfs/dbraw/zinc/57/09/88/973570988.db2.gz DVJWKEDBNHQQMW-BDAKNGLRSA-N -1 0 303.340 -0.641 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cn1C ZINC000401972570 973578771 /nfs/dbraw/zinc/57/87/71/973578771.db2.gz OKGWYWDBVJRIAC-IUCAKERBSA-N -1 0 303.340 -0.815 20 0 DBADRM CC[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@]1(F)C(=O)[O-] ZINC001573817395 1026638191 /nfs/dbraw/zinc/63/81/91/1026638191.db2.gz OIWDCCJXPOOPIU-VAOFZXAKSA-N -1 0 308.331 -0.661 20 0 DBADRM CN(C[C@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)CNC(=O)[O-] ZINC001573870770 1026648367 /nfs/dbraw/zinc/64/83/67/1026648367.db2.gz RYKDFJVSIQLRGK-VIFPVBQESA-N -1 0 319.358 -0.060 20 0 DBADRM CCC[C@@H](O)[C@H](CO)NC(=O)NCc1cc(C(=O)[O-])no1 ZINC001573732928 1026625606 /nfs/dbraw/zinc/62/56/06/1026625606.db2.gz AKGDUYMWTRFNLE-VHSXEESVSA-N -1 0 301.299 -0.306 20 0 DBADRM C[C@@H](O)[C@@H](CO)NC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001574098876 1026704094 /nfs/dbraw/zinc/70/40/94/1026704094.db2.gz KUUCUJYVQWRSGU-VXNVDRBHSA-N -1 0 300.315 -0.434 20 0 DBADRM CC(C)C1(C(=O)N[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001526820306 1014143897 /nfs/dbraw/zinc/14/38/97/1014143897.db2.gz AJCZWLVBKUZNPE-QMMMGPOBSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCN2CCCC2=O)o1 ZINC000405475571 973888622 /nfs/dbraw/zinc/88/86/22/973888622.db2.gz HHYRGPXWPIETLR-UHFFFAOYSA-N -1 0 302.308 -0.122 20 0 DBADRM CCN(CCNC(=O)c1cncnc1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596335590 1017130634 /nfs/dbraw/zinc/13/06/34/1017130634.db2.gz SRVBXSHLLGFQOX-QWRGUYRKSA-N -1 0 306.322 -0.224 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)CC(=O)N=[S@@](C)(=O)N(C)C ZINC001591710930 975588347 /nfs/dbraw/zinc/58/83/47/975588347.db2.gz ANYNMOCZEXTADL-LADRHHBVSA-N -1 0 323.415 -0.103 20 0 DBADRM CCCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001488148285 1014272175 /nfs/dbraw/zinc/27/21/75/1014272175.db2.gz LJEHOQHUIJEVBC-HTQZYQBOSA-N -1 0 309.326 -0.198 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCN(C)CC1 ZINC001591720727 975654452 /nfs/dbraw/zinc/65/44/52/975654452.db2.gz RYDJYKJVTNDCRQ-NSHDSACASA-N -1 0 323.415 -0.711 20 0 DBADRM COc1cc(C(=O)N(C)CCNC(=O)c2[nH]nc(C)c2[O-])on1 ZINC001528040657 1014342227 /nfs/dbraw/zinc/34/22/27/1014342227.db2.gz AFCZCCBZBXCHAS-UHFFFAOYSA-N -1 0 323.309 -0.078 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@H]2CCC(=O)NC2)c1[O-] ZINC001528040638 1014343649 /nfs/dbraw/zinc/34/36/49/1014343649.db2.gz ABKLDCASSGSVNG-VIFPVBQESA-N -1 0 323.353 -0.862 20 0 DBADRM Cc1nnc(CC(=O)NCCN(C)C(=O)c2n[nH]c(C)c2[O-])[nH]1 ZINC001528103850 1014358471 /nfs/dbraw/zinc/35/84/71/1014358471.db2.gz LHXHORRLOHEZKG-UHFFFAOYSA-N -1 0 321.341 -0.719 20 0 DBADRM O=C([N-]NC(=O)c1ccc[n+]([O-])c1)c1n[nH]c2c1CCCC2 ZINC000013230351 977395712 /nfs/dbraw/zinc/39/57/12/977395712.db2.gz PKZQXMROMSTPDH-UHFFFAOYSA-N -1 0 301.306 -0.003 20 0 DBADRM COc1cc(COCC(=O)N2CCO[C@H](C(=O)[O-])C2)ccn1 ZINC000909216260 977434064 /nfs/dbraw/zinc/43/40/64/977434064.db2.gz FNZJNNXSQDKQBJ-NSHDSACASA-N -1 0 310.306 -0.081 20 0 DBADRM COCC1(S(=O)(=O)N2[C@H](C(=O)[O-])C[C@@H]3OCC[C@@H]32)CC1 ZINC000926594943 977446100 /nfs/dbraw/zinc/44/61/00/977446100.db2.gz FPKLPKMUMDPCLT-GUBZILKMSA-N -1 0 305.352 -0.188 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001528453869 1014414815 /nfs/dbraw/zinc/41/48/15/1014414815.db2.gz DXKRLZSMGPQDTE-DTWKUNHWSA-N -1 0 321.337 -0.483 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC001052358666 977707155 /nfs/dbraw/zinc/70/71/55/977707155.db2.gz NMVABMCMSUFHCQ-SECBINFHSA-N -1 0 320.357 -0.577 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC001052358667 977709301 /nfs/dbraw/zinc/70/93/01/977709301.db2.gz NMVABMCMSUFHCQ-VIFPVBQESA-N -1 0 320.357 -0.577 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1(CF)CC1 ZINC001528478390 1014421055 /nfs/dbraw/zinc/42/10/55/1014421055.db2.gz JHWVTYCFAMYKIP-UHFFFAOYSA-N -1 0 315.305 -0.986 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@]1(C)C=CCC1 ZINC001528479032 1014421316 /nfs/dbraw/zinc/42/13/16/1014421316.db2.gz SEFUMKAIRHCKAI-CQSZACIVSA-N -1 0 323.353 -0.380 20 0 DBADRM CC[C@@H](F)C(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001528522257 1014430365 /nfs/dbraw/zinc/43/03/65/1014430365.db2.gz GTXJDMMRHPTBEL-SECBINFHSA-N -1 0 314.317 -0.578 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052975937 977845128 /nfs/dbraw/zinc/84/51/28/977845128.db2.gz LLXORCDNCMTSEW-SECBINFHSA-N -1 0 321.341 -0.014 20 0 DBADRM CCC(=O)NC[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001053126994 977856813 /nfs/dbraw/zinc/85/68/13/977856813.db2.gz NCTJIQKUQFMFJR-NXEZZACHSA-N -1 0 322.365 -0.280 20 0 DBADRM O=C(C1CC=CC1)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053197214 977879482 /nfs/dbraw/zinc/87/94/82/977879482.db2.gz BUKCHFNACOFVGR-UHFFFAOYSA-N -1 0 319.365 -0.110 20 0 DBADRM CC1CC(C(=O)N2CCOC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)C1 ZINC001053213295 977883027 /nfs/dbraw/zinc/88/30/27/977883027.db2.gz NXJRIXPYDSALMZ-UHFFFAOYSA-N -1 0 321.381 -0.030 20 0 DBADRM CO[C@@H](C)CN1CC2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])CCO2 ZINC001053226473 977885036 /nfs/dbraw/zinc/88/50/36/977885036.db2.gz WOUITNUBWRQHGF-JTQLQIEISA-N -1 0 324.381 -0.015 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCOC3(CN(C[C@H](C)O)C3)C2)c1[O-] ZINC001053224949 977885157 /nfs/dbraw/zinc/88/51/57/977885157.db2.gz CZJXKIDWDPIODV-VIFPVBQESA-N -1 0 310.354 -0.669 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCOC3(CN(CCCO)C3)C2)c1[O-] ZINC001053226494 977885317 /nfs/dbraw/zinc/88/53/17/977885317.db2.gz XBIYQCCHYBTTQK-UHFFFAOYSA-N -1 0 310.354 -0.667 20 0 DBADRM CCN(CCOCCO)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001596345230 1017133985 /nfs/dbraw/zinc/13/39/85/1017133985.db2.gz GXWNPTPHHFCKRM-UHFFFAOYSA-N -1 0 320.367 -0.257 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053412436 977950912 /nfs/dbraw/zinc/95/09/12/977950912.db2.gz VUGAOIKWRJIFHW-QWRGUYRKSA-N -1 0 321.381 -0.030 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053439237 977959233 /nfs/dbraw/zinc/95/92/33/977959233.db2.gz BPZTVSODGKXYGK-GHMZBOCLSA-N -1 0 321.381 -0.030 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCC3(CN(C[C@H](C)O)C3)O2)c1[O-] ZINC001053589623 978001913 /nfs/dbraw/zinc/00/19/13/978001913.db2.gz MTTUMIBGWPDQCY-GXSJLCMTSA-N -1 0 324.381 -0.232 20 0 DBADRM CCN1CC2(C1)CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)O2 ZINC001053627133 978013979 /nfs/dbraw/zinc/01/39/79/978013979.db2.gz ONQIJUQIDRQVDF-MRVPVSSYSA-N -1 0 309.326 -0.734 20 0 DBADRM CCN1CC2(C1)CC[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)O2 ZINC001053641430 978015139 /nfs/dbraw/zinc/01/51/39/978015139.db2.gz NYJIUJSUZPHKQH-JTQLQIEISA-N -1 0 322.365 -0.531 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)C(F)F ZINC001053715163 978035462 /nfs/dbraw/zinc/03/54/62/978035462.db2.gz TZSCPVJPXHLZGG-LURJTMIESA-N -1 0 303.269 -0.765 20 0 DBADRM O=C(CC1CC1)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053720343 978038251 /nfs/dbraw/zinc/03/82/51/978038251.db2.gz UKYRNWCQGYIUNF-JTQLQIEISA-N -1 0 307.354 -0.230 20 0 DBADRM CCC(=O)NC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)(C)C ZINC001488510088 1014452198 /nfs/dbraw/zinc/45/21/98/1014452198.db2.gz IXRQDMPXSKDGRC-MRVPVSSYSA-N -1 0 313.358 -0.254 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1ncc[nH]1 ZINC001053797628 978081411 /nfs/dbraw/zinc/08/14/11/978081411.db2.gz FNMMNSDDQVVWAM-MRVPVSSYSA-N -1 0 319.325 -0.993 20 0 DBADRM CCCCN1CC2(C1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858572 978118102 /nfs/dbraw/zinc/11/81/02/978118102.db2.gz KXCSEUTZVXMUBH-VIFPVBQESA-N -1 0 323.353 -0.344 20 0 DBADRM CCCN1CC2(C1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053859082 978118733 /nfs/dbraw/zinc/11/87/33/978118733.db2.gz ZETQWIQESWNMTK-QMMMGPOBSA-N -1 0 309.326 -0.734 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1cnco1 ZINC001053885060 978130702 /nfs/dbraw/zinc/13/07/02/978130702.db2.gz CWRKGZBIXMUSND-MRVPVSSYSA-N -1 0 320.309 -0.728 20 0 DBADRM CCN(CCS(C)(=O)=O)[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001596346664 1017134358 /nfs/dbraw/zinc/13/43/58/1017134358.db2.gz DNXYMTWQQSSBHI-NSHDSACASA-N -1 0 320.411 -0.181 20 0 DBADRM CN(CCNC(=O)[C@@H]1CC12CC2)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001528709633 1014460440 /nfs/dbraw/zinc/46/04/40/1014460440.db2.gz ZPBOOHSOPINDIS-QMMMGPOBSA-N -1 0 309.326 -0.936 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)CSCC(=O)N1CCOCC1 ZINC001141346028 978149872 /nfs/dbraw/zinc/14/98/72/978149872.db2.gz WVUHIKOQSJFRRL-LLVKDONJSA-N -1 0 320.411 -0.357 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H](F)C(=O)[O-])CCN2C1=O ZINC001596389110 1017134408 /nfs/dbraw/zinc/13/44/08/1017134408.db2.gz ACNUGDIANQABFQ-YUMQZZPRSA-N -1 0 316.289 -0.913 20 0 DBADRM C[C@@H]1CN(CCF)C[C@H]1NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001207857514 978263577 /nfs/dbraw/zinc/26/35/77/978263577.db2.gz BNCJSZGZTBERBW-PSASIEDQSA-N -1 0 313.333 -0.379 20 0 DBADRM COC[C@H](OC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208544928 978389832 /nfs/dbraw/zinc/38/98/32/978389832.db2.gz ZECZMGJFIYQVPU-BBBLOLIVSA-N -1 0 313.358 -0.892 20 0 DBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ncccc1F ZINC001209806602 978477635 /nfs/dbraw/zinc/47/76/35/978477635.db2.gz ZPJZZULKRQCIEO-UHFFFAOYSA-N -1 0 316.274 -0.768 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@H]1C[C@H]1C ZINC001528988624 1014500310 /nfs/dbraw/zinc/50/03/10/1014500310.db2.gz HJRIBYPVWKWZHB-BDAKNGLRSA-N -1 0 311.342 -0.690 20 0 DBADRM Nc1cncc(S(=O)(=O)[N-]c2cnc(NCCO)nc2)c1 ZINC001210899387 978541769 /nfs/dbraw/zinc/54/17/69/978541769.db2.gz DLBUGPDJXAOCKA-UHFFFAOYSA-N -1 0 310.339 -0.341 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)/C=C\C1CC1 ZINC001528987543 1014501372 /nfs/dbraw/zinc/50/13/72/1014501372.db2.gz BSDLEEZCPIOURZ-WAYWQWQTSA-N -1 0 323.353 -0.380 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@@H]1C[C@@H]1C ZINC001528988632 1014502078 /nfs/dbraw/zinc/50/20/78/1014502078.db2.gz HJRIBYPVWKWZHB-DTWKUNHWSA-N -1 0 311.342 -0.690 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)/C=C/C1CC1 ZINC001212086752 978621854 /nfs/dbraw/zinc/62/18/54/978621854.db2.gz FPPSIDRUFFCGQU-XKFHPXPTSA-N -1 0 307.354 -0.208 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@]1(N(C)C)COc2ccccc2C1 ZINC001529058392 1014510676 /nfs/dbraw/zinc/51/06/76/1014510676.db2.gz SWQCGRMLQBEQTR-HNNXBMFYSA-N -1 0 307.350 -0.284 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H](F)C(C)C ZINC001213300399 978667894 /nfs/dbraw/zinc/66/78/94/978667894.db2.gz SCZABMGKUAAAGC-KKZNHRDASA-N -1 0 315.349 -0.180 20 0 DBADRM O=C(CCCF)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001218476583 978823887 /nfs/dbraw/zinc/82/38/87/978823887.db2.gz YTZRJBXKAYWSFQ-VHSXEESVSA-N -1 0 313.333 -0.328 20 0 DBADRM Cn1nc(NC(=O)[C@@H]([NH3+])Cc2nnn[n-]2)c2ccc(Cl)nc21 ZINC001218572144 978833153 /nfs/dbraw/zinc/83/31/53/978833153.db2.gz FIUJQWGWVIBJBY-LURJTMIESA-N -1 0 321.732 -0.357 20 0 DBADRM C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)Nc1cc(=O)[n-]c(Cl)n1 ZINC001218648689 978840649 /nfs/dbraw/zinc/84/06/49/978840649.db2.gz YTARHJKJLWESOV-TYPSWONNSA-N -1 0 314.729 -0.094 20 0 DBADRM C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)Nc1cc(=O)[n-]c(Cl)n1 ZINC001218648686 978841281 /nfs/dbraw/zinc/84/12/81/978841281.db2.gz YTARHJKJLWESOV-ILCAFMNSSA-N -1 0 314.729 -0.094 20 0 DBADRM [NH3+][C@@H](Cc1nnn[n-]1)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC001218847402 978854816 /nfs/dbraw/zinc/85/48/16/978854816.db2.gz LBCJYBGXVHOWSE-LBPRGKRZSA-N -1 0 312.337 -0.047 20 0 DBADRM Cc1ccc2c(c1NC(=O)[C@@H]([NH3+])Cc1nnn[n-]1)CNC2=O ZINC001218820224 978855322 /nfs/dbraw/zinc/85/53/22/978855322.db2.gz RBSWXOMEQUMWIX-VIFPVBQESA-N -1 0 301.310 -0.740 20 0 DBADRM O=C(CCc1ccco1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219183971 978889864 /nfs/dbraw/zinc/88/98/64/978889864.db2.gz JLSPSGQUKHOQIU-MNOVXSKESA-N -1 0 321.337 -0.603 20 0 DBADRM CCN1C[C@@H](C)N(C(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C[C@@H]1C ZINC001596396281 1017136435 /nfs/dbraw/zinc/13/64/35/1017136435.db2.gz QOHCUBJFWBXOHU-USZNOCQGSA-N -1 0 311.382 -0.236 20 0 DBADRM Cc1ccn2c(CNC(=O)[C@@H]([NH3+])Cc3nnn[n-]3)cnc2c1 ZINC001219709901 978997238 /nfs/dbraw/zinc/99/72/38/978997238.db2.gz SNCUCRGFFOTILO-JTQLQIEISA-N -1 0 300.326 -0.658 20 0 DBADRM Cn1cc(N)nc1C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001220126693 979102661 /nfs/dbraw/zinc/10/26/61/979102661.db2.gz BFSOCIBZLVTFAE-UHFFFAOYSA-N -1 0 307.357 -0.712 20 0 DBADRM N=C(NC(=O)C(N)C(F)(F)F)SCCS(=O)(=O)[O-] ZINC001220127473 979105149 /nfs/dbraw/zinc/10/51/49/979105149.db2.gz WOZAWMRKLWBKOI-VKHMYHEASA-N -1 0 309.291 -0.452 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C(C)(F)F ZINC001220377750 979179630 /nfs/dbraw/zinc/17/96/30/979179630.db2.gz MOGJBAGEVOFHDS-RNJXMRFFSA-N -1 0 319.312 -0.537 20 0 DBADRM CC(C)(F)c1ncncc1CNC(=O)[C@@H]([NH3+])Cc1nnn[n-]1 ZINC001220670209 979264395 /nfs/dbraw/zinc/26/43/95/979264395.db2.gz HIDASEHYFHRAFQ-QMMMGPOBSA-N -1 0 308.321 -0.620 20 0 DBADRM CCCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C(F)F ZINC001529621219 1014567158 /nfs/dbraw/zinc/56/71/58/1014567158.db2.gz RIAXATWVWLLFMA-UHFFFAOYSA-N -1 0 319.268 -0.484 20 0 DBADRM CCCC(=O)N(CCC)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001529623813 1014568210 /nfs/dbraw/zinc/56/82/10/1014568210.db2.gz FWHHYDYJXVPDNP-UHFFFAOYSA-N -1 0 313.358 -0.156 20 0 DBADRM CCCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C(C)C ZINC001529625663 1014570008 /nfs/dbraw/zinc/57/00/08/1014570008.db2.gz XSVZMTLQBMFRFJ-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM CCCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1CC1 ZINC001529623480 1014570079 /nfs/dbraw/zinc/57/00/79/1014570079.db2.gz CBKCOERKGBGDJY-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CCO[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221305645 979397328 /nfs/dbraw/zinc/39/73/28/979397328.db2.gz SRUVWDNIEKUSLO-HBNTYKKESA-N -1 0 309.370 -0.032 20 0 DBADRM CCCOCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221416324 979417352 /nfs/dbraw/zinc/41/73/52/979417352.db2.gz URCFIRWPBYVUHI-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OCc1cnoc1 ZINC001222371153 979508807 /nfs/dbraw/zinc/50/88/07/979508807.db2.gz YZQOSGCLGKDAAC-NSHDSACASA-N -1 0 306.340 -0.220 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OCc1ncon1 ZINC001222894678 979530340 /nfs/dbraw/zinc/53/03/40/979530340.db2.gz AGJZHBVZEQELMJ-VIFPVBQESA-N -1 0 307.328 -0.825 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCc1cnco1 ZINC001223169947 979540279 /nfs/dbraw/zinc/54/02/79/979540279.db2.gz QSZYOSYPDKRZES-LLVKDONJSA-N -1 0 306.340 -0.220 20 0 DBADRM Cn1cnc(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001223553616 979552415 /nfs/dbraw/zinc/55/24/15/979552415.db2.gz ZRAKIRJOGKFZLZ-LBPRGKRZSA-N -1 0 319.383 -0.475 20 0 DBADRM CS(=O)(=O)c1ccccc1COC(=O)[C@H](O)CC(=O)[O-] ZINC001223714800 979555381 /nfs/dbraw/zinc/55/53/81/979555381.db2.gz MAGATVRPEGXZBF-SECBINFHSA-N -1 0 302.304 -0.031 20 0 DBADRM CCN1C[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1=O ZINC001596398186 1017137518 /nfs/dbraw/zinc/13/75/18/1017137518.db2.gz UICXQMVABPIEQW-ZETCQYMHSA-N -1 0 316.339 -0.745 20 0 DBADRM O=C([O-])CC[C@@H](O)C(=O)OCc1cc(=O)n2ccccc2n1 ZINC001224260005 979565384 /nfs/dbraw/zinc/56/53/84/979565384.db2.gz YPDYISODNPSTQN-SNVBAGLBSA-N -1 0 306.274 -0.037 20 0 DBADRM COC(=O)/C=C/CO[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001224491858 979572151 /nfs/dbraw/zinc/57/21/51/979572151.db2.gz DGTRKQKUETXDHM-KXMPLOMGSA-N -1 0 323.367 -0.679 20 0 DBADRM CC1(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])COC1 ZINC001224467945 979572425 /nfs/dbraw/zinc/57/24/25/979572425.db2.gz YMEGTAOOOOYWMH-LLVKDONJSA-N -1 0 309.384 -0.372 20 0 DBADRM CO[C@H]1O[C@H](COCCS(=O)(=O)[O-])[C@H]2OC(C)(C)O[C@H]21 ZINC001224568087 979576204 /nfs/dbraw/zinc/57/62/04/979576204.db2.gz CKCWCIXGNSDKPM-KYXWUPHJSA-N -1 0 312.340 -0.218 20 0 DBADRM O=C([O-])C[C@@H](C(=O)OCCC[NH+]1CCCCC1)[C@@H](O)C(=O)[O-] ZINC001224861276 979588230 /nfs/dbraw/zinc/58/82/30/979588230.db2.gz VPQCNMNAMCNBIG-ZYHUDNBSSA-N -1 0 317.338 -0.058 20 0 DBADRM O=C([O-])C[C@@H](C(=O)OCCC[NH+]1CCCCC1)[C@H](O)C(=O)[O-] ZINC001224861275 979588626 /nfs/dbraw/zinc/58/86/26/979588626.db2.gz VPQCNMNAMCNBIG-PWSUYJOCSA-N -1 0 317.338 -0.058 20 0 DBADRM COC(=O)CN1C[C@@H](OCCCC[P@@](=O)([O-])O)CC1=O ZINC001225019050 979590206 /nfs/dbraw/zinc/59/02/06/979590206.db2.gz PQSKCQAMNAFKMQ-VIFPVBQESA-N -1 0 309.255 -0.265 20 0 DBADRM CS(=O)(=O)N1CCC(COC(=O)[C@H](O)CC(=O)[O-])CC1 ZINC001225045152 979592595 /nfs/dbraw/zinc/59/25/95/979592595.db2.gz TZJYMOXDRNVMDC-SECBINFHSA-N -1 0 309.340 -0.963 20 0 DBADRM Cc1ccc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])nn1 ZINC001225641076 979601532 /nfs/dbraw/zinc/60/15/32/979601532.db2.gz YPUCLQLYDWVAAB-LLVKDONJSA-N -1 0 317.367 -0.248 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1cccnn1 ZINC001225659928 979601552 /nfs/dbraw/zinc/60/15/52/979601552.db2.gz IYZOKUHINHXCBT-SNVBAGLBSA-N -1 0 303.340 -0.556 20 0 DBADRM Nc1cccc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001225756696 979603693 /nfs/dbraw/zinc/60/36/93/979603693.db2.gz OGAFWEDCAPJXHC-SNVBAGLBSA-N -1 0 317.367 -0.369 20 0 DBADRM CC(C)(C)OC(=O)N1CC=C[C@H](Oc2c([O-])c(=O)c(=O)c2=O)C1 ZINC001225831261 979607865 /nfs/dbraw/zinc/60/78/65/979607865.db2.gz RWXGJXWCJRLXFF-QMMMGPOBSA-N -1 0 323.301 -0.097 20 0 DBADRM O=c1c([O-])c(O[C@H]2CC(=O)N(Cc3ccccc3)C2)c(=O)c1=O ZINC001225830391 979607968 /nfs/dbraw/zinc/60/79/68/979607968.db2.gz INZSASRCSFHTOH-JTQLQIEISA-N -1 0 315.281 -0.472 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@H](Oc2c([O-])c(=O)c(=O)c2=O)C1 ZINC001225834429 979608333 /nfs/dbraw/zinc/60/83/33/979608333.db2.gz RATHVCPITWOAMW-SSDOTTSWSA-N -1 0 311.290 -0.263 20 0 DBADRM COC(=O)[C@@H](Oc1c([O-])c(=O)c(=O)c1=O)c1ccc(F)cc1 ZINC001225834681 979608601 /nfs/dbraw/zinc/60/86/01/979608601.db2.gz WWSJNEOSWMUOHE-LBPRGKRZSA-N -1 0 308.217 -0.219 20 0 DBADRM O=c1ncc(F)c(O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])[n-]1 ZINC001225886504 979612078 /nfs/dbraw/zinc/61/20/78/979612078.db2.gz ZFMAPLBRZTZIBO-ULAWRXDQSA-N -1 0 303.202 -0.557 20 0 DBADRM CC(=O)N(C)CC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001226161854 979621039 /nfs/dbraw/zinc/62/10/39/979621039.db2.gz LQRRDBIELGYYHU-UHFFFAOYSA-N -1 0 310.358 -0.931 20 0 DBADRM CCCC(=O)NCC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001226360781 979632544 /nfs/dbraw/zinc/63/25/44/979632544.db2.gz ISGMHXJVPFJSMF-UHFFFAOYSA-N -1 0 324.385 -0.493 20 0 DBADRM CC(=O)OCC(COC(C)=O)Oc1[n-]c(=O)nc2cnncc21 ZINC001226693820 979643645 /nfs/dbraw/zinc/64/36/45/979643645.db2.gz YLSCYSRLVOXXGV-UHFFFAOYSA-N -1 0 322.277 -0.001 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1ncncc1F ZINC001226707086 979644205 /nfs/dbraw/zinc/64/42/05/979644205.db2.gz KDSFKWIGFCFMBG-VIFPVBQESA-N -1 0 321.330 -0.417 20 0 DBADRM Cc1cnc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])nc1 ZINC001227054602 979657238 /nfs/dbraw/zinc/65/72/38/979657238.db2.gz ZUQPIJFSUDVSOK-LLVKDONJSA-N -1 0 317.367 -0.248 20 0 DBADRM COC(=O)CN1C[C@@H](Oc2[n-]c(=O)nc3nc[nH]c32)CC1=O ZINC001227070348 979658811 /nfs/dbraw/zinc/65/88/11/979658811.db2.gz OQHUIRWLHPCUJF-LURJTMIESA-N -1 0 307.266 -0.789 20 0 DBADRM CCOC(=O)C[C@@H](Oc1nnc(C(=O)OC)[n-]1)C(=O)OCC ZINC001228313038 979671502 /nfs/dbraw/zinc/67/15/02/979671502.db2.gz YKVSDVLWXZHKNG-SSDOTTSWSA-N -1 0 315.282 -0.145 20 0 DBADRM COC(=O)CN1C[C@@H](Oc2[n-]ncc(=O)c2Cl)CC1=O ZINC001228388456 979673328 /nfs/dbraw/zinc/67/33/28/979673328.db2.gz WIGSZFYNLSZFQI-LURJTMIESA-N -1 0 301.686 -0.012 20 0 DBADRM Cn1cnc2nc(Cl)nc(OC(=O)[C@H](O)CC(=O)[O-])c21 ZINC001229027185 979674680 /nfs/dbraw/zinc/67/46/80/979674680.db2.gz HYMPQRLVFCSNMZ-SCSAIBSYSA-N -1 0 300.658 -0.242 20 0 DBADRM COC[C@H](OC)C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001229113239 979675891 /nfs/dbraw/zinc/67/58/91/979675891.db2.gz BWUPDKNIPNOZSJ-JTQLQIEISA-N -1 0 313.358 -0.748 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001595159569 979676268 /nfs/dbraw/zinc/67/62/68/979676268.db2.gz FIXUPSRDIVKNPU-HLTSFMKQSA-N -1 0 321.337 -0.975 20 0 DBADRM COc1cc(/C=C\C(N)=O)ccc1OC(=O)[C@H](O)CC(=O)[O-] ZINC001229489877 979677106 /nfs/dbraw/zinc/67/71/06/979677106.db2.gz FEMKIDDLFDUHNT-AZVKUDOFSA-N -1 0 309.274 -0.065 20 0 DBADRM CC[C@H](CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC001595162847 979690062 /nfs/dbraw/zinc/69/00/62/979690062.db2.gz AWABIAUYCFEXCX-SSDOTTSWSA-N -1 0 320.305 -0.125 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cccn2c(=O)[nH]nc12)c1nnn[n-]1 ZINC001325762145 979713532 /nfs/dbraw/zinc/71/35/32/979713532.db2.gz INXOLFRVUSRTCV-ZETCQYMHSA-N -1 0 302.298 -0.176 20 0 DBADRM C[C@H](CN(C)C(=O)c1cccn2c(=O)[nH]nc12)c1nnn[n-]1 ZINC001325762143 979714699 /nfs/dbraw/zinc/71/46/99/979714699.db2.gz INXOLFRVUSRTCV-SSDOTTSWSA-N -1 0 302.298 -0.176 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1 ZINC001326506672 979738326 /nfs/dbraw/zinc/73/83/26/979738326.db2.gz XQZJQKCAJCOGJI-JTQLQIEISA-N -1 0 310.358 -0.634 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 ZINC001326506673 979739356 /nfs/dbraw/zinc/73/93/56/979739356.db2.gz XQZJQKCAJCOGJI-SNVBAGLBSA-N -1 0 310.358 -0.634 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1c1cc(C)no1 ZINC001326703566 979757260 /nfs/dbraw/zinc/75/72/60/979757260.db2.gz XRZNPFKYUNNQBR-SNVBAGLBSA-N -1 0 324.337 -0.170 20 0 DBADRM O=C([O-])CCCNS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001326704967 979759365 /nfs/dbraw/zinc/75/93/65/979759365.db2.gz QKENLQKMXCBAMF-VIFPVBQESA-N -1 0 313.397 -0.405 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CC)C[C@H]1CCCO1 ZINC001326715169 979760845 /nfs/dbraw/zinc/76/08/45/979760845.db2.gz DHNGTUKHPMYPMX-SNVBAGLBSA-N -1 0 301.343 -0.802 20 0 DBADRM CCC[C@H]1CN(C(=O)C(=O)NCC(=O)[N-]OCC)CCO1 ZINC001326716082 979761193 /nfs/dbraw/zinc/76/11/93/979761193.db2.gz LTAOUZWYUYNRQQ-JTQLQIEISA-N -1 0 301.343 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CC)C[C@@H]1CCCO1 ZINC001326715168 979761352 /nfs/dbraw/zinc/76/13/52/979761352.db2.gz DHNGTUKHPMYPMX-JTQLQIEISA-N -1 0 301.343 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC001326715589 979761490 /nfs/dbraw/zinc/76/14/90/979761490.db2.gz HRJCENHGGNSMBY-GHMZBOCLSA-N -1 0 315.370 -0.820 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC001326754563 979765091 /nfs/dbraw/zinc/76/50/91/979765091.db2.gz ZBWGNDMSZVTQKH-VIFPVBQESA-N -1 0 311.338 -0.907 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)c1ncnn1C)C(=O)[O-] ZINC001326843941 979772984 /nfs/dbraw/zinc/77/29/84/979772984.db2.gz DAECOHSTBRRMMI-BDAKNGLRSA-N -1 0 311.342 -0.535 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC2(COC(=O)N2)CC1 ZINC001326937694 979779996 /nfs/dbraw/zinc/77/99/96/979779996.db2.gz ZPBBTTKWVJUVPT-UHFFFAOYSA-N -1 0 300.315 -0.662 20 0 DBADRM COCCCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001330820321 979836007 /nfs/dbraw/zinc/83/60/07/979836007.db2.gz XTKVMPPZOPTLAJ-UHFFFAOYSA-N -1 0 308.356 -0.646 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC001331012415 979849874 /nfs/dbraw/zinc/84/98/74/979849874.db2.gz CCBLKTRELMGZKR-UHFFFAOYSA-N -1 0 309.322 -0.414 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)CC1=O ZINC001596403211 1017138659 /nfs/dbraw/zinc/13/86/59/1017138659.db2.gz WXHOCJDFXLSABQ-KWQFWETISA-N -1 0 322.408 -0.513 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001331572166 979890027 /nfs/dbraw/zinc/89/00/27/979890027.db2.gz HZTXWWHARHNCTG-DTWKUNHWSA-N -1 0 309.326 -0.716 20 0 DBADRM C[C@@H](C[C@@H]1CCOC1)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001343036035 979918084 /nfs/dbraw/zinc/91/80/84/979918084.db2.gz APQGMTLVAKZQDT-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC001343130634 979921163 /nfs/dbraw/zinc/92/11/63/979921163.db2.gz FCAKGLUJJXIKLX-PHIMTYICSA-N -1 0 302.327 -0.608 20 0 DBADRM C[C@@H]1C[C@@H](CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)[C@H](C)O1 ZINC001343146794 979922750 /nfs/dbraw/zinc/92/27/50/979922750.db2.gz AVKNBUOURGVRQE-VWYCJHECSA-N -1 0 313.354 -0.262 20 0 DBADRM Cn1cc(-c2nn(C)cc2C(=O)[N-]N2CC(=O)N(C)C2=O)cn1 ZINC001343201544 979926307 /nfs/dbraw/zinc/92/63/07/979926307.db2.gz TUKXSNODGLGRIA-UHFFFAOYSA-N -1 0 317.309 -0.641 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCNNCC1 ZINC001343591532 979953711 /nfs/dbraw/zinc/95/37/11/979953711.db2.gz YARGICJLHOWVRW-UHFFFAOYSA-N -1 0 316.358 -0.253 20 0 DBADRM CN(CC(=O)[N-]OC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001343739441 979962648 /nfs/dbraw/zinc/96/26/48/979962648.db2.gz RJGGTYRDWRISRC-SNVBAGLBSA-N -1 0 306.384 -0.668 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC001343929644 979969278 /nfs/dbraw/zinc/96/92/78/979969278.db2.gz WDCSEKSXFXCRMD-SNVBAGLBSA-N -1 0 307.306 -0.338 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cnc2c(c1)c(C)nn2C ZINC001344075871 979975566 /nfs/dbraw/zinc/97/55/66/979975566.db2.gz LMFMQBCKTZCCGC-UHFFFAOYSA-N -1 0 307.310 -0.091 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC001344083945 979976369 /nfs/dbraw/zinc/97/63/69/979976369.db2.gz OKNWEYJPWUGQFP-UHFFFAOYSA-N -1 0 307.306 -0.162 20 0 DBADRM COC[C@@H]1CC[C@H]([C@@H]2COCCN2CCOCC(=O)[O-])O1 ZINC001345137325 980033251 /nfs/dbraw/zinc/03/32/51/980033251.db2.gz LLFYDWOIJFBHOM-RWMBFGLXSA-N -1 0 303.355 -0.018 20 0 DBADRM Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001345290487 980045107 /nfs/dbraw/zinc/04/51/07/980045107.db2.gz OSDURNHYKCUJIH-MWLCHTKSSA-N -1 0 310.354 -0.010 20 0 DBADRM Cn1c(-c2nn[nH]n2)nnc1N1CCN(c2ccccn2)CC1 ZINC001345691990 980071568 /nfs/dbraw/zinc/07/15/68/980071568.db2.gz OCIHMOREFTURAT-UHFFFAOYSA-N -1 0 312.341 -0.283 20 0 DBADRM CCCCCOC1CN(C(=O)C(=O)NCC(=O)[N-]OCC)C1 ZINC001346414489 980141395 /nfs/dbraw/zinc/14/13/95/980141395.db2.gz IVIIQSVNQVOFFT-UHFFFAOYSA-N -1 0 315.370 -0.412 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCC(=O)N1CCCC1)C(=O)[O-] ZINC001346503383 980146914 /nfs/dbraw/zinc/14/69/14/980146914.db2.gz GHXDZIQGBHEXDS-SNVBAGLBSA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCN(CC(F)F)CC1)C(=O)[O-] ZINC001346513555 980147414 /nfs/dbraw/zinc/14/74/14/980147414.db2.gz DCSHDSOYTMSSRE-MRVPVSSYSA-N -1 0 307.297 -0.767 20 0 DBADRM C[C@H](NC(=O)CN1C(=O)CNC1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001346492732 980147442 /nfs/dbraw/zinc/14/74/42/980147442.db2.gz LYRVHFFDTLTCLW-XHNCKOQMSA-N -1 0 311.338 -0.210 20 0 DBADRM COCCCn1nc(C(=O)N2CC3CC2(C(=O)[O-])C3)ccc1=O ZINC001347048741 980192925 /nfs/dbraw/zinc/19/29/25/980192925.db2.gz KATRCWGFWKQDAJ-UHFFFAOYSA-N -1 0 321.333 -0.031 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC001347103698 980198670 /nfs/dbraw/zinc/19/86/70/980198670.db2.gz BQFBNJKZKXTCTA-MFKMUULPSA-N -1 0 318.395 -0.149 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCC1CC(OC)C1 ZINC001347652747 980238821 /nfs/dbraw/zinc/23/88/21/980238821.db2.gz RVKXVBWICVOSOZ-UHFFFAOYSA-N -1 0 301.343 -0.898 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC001347776076 980250916 /nfs/dbraw/zinc/25/09/16/980250916.db2.gz QSQOJZLFRUHRER-VIFPVBQESA-N -1 0 322.383 -0.200 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCCOC1CCOCC1 ZINC001348078771 980257756 /nfs/dbraw/zinc/25/77/56/980257756.db2.gz WUJDUNWANCOXMO-UHFFFAOYSA-N -1 0 322.321 -0.190 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)NCCc2n[n-]c(=S)o2)O1 ZINC001348288130 980276596 /nfs/dbraw/zinc/27/65/96/980276596.db2.gz ZQIGVADHMHLAFY-RQJHMYQMSA-N -1 0 301.324 -0.262 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)NCCOCC(=O)[O-])o1 ZINC001348490839 980310895 /nfs/dbraw/zinc/31/08/95/980310895.db2.gz VDHTZSNQZCSKRP-UHFFFAOYSA-N -1 0 320.323 -0.840 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001595278619 980312656 /nfs/dbraw/zinc/31/26/56/980312656.db2.gz GWPXOOCOJKPDDR-VHSXEESVSA-N -1 0 309.326 -0.336 20 0 DBADRM CCO[C@@H](C)C(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001348527457 980317191 /nfs/dbraw/zinc/31/71/91/980317191.db2.gz LWMFLKLTPAXTHM-VIFPVBQESA-N -1 0 321.337 -0.706 20 0 DBADRM C/C(=C/C(=O)NCCNC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001348562425 980322092 /nfs/dbraw/zinc/32/20/92/980322092.db2.gz MDEQNPQGLZBQOJ-CLFYSBASSA-N -1 0 320.349 -0.312 20 0 DBADRM CC(C)=CC(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001530268194 1014647290 /nfs/dbraw/zinc/64/72/90/1014647290.db2.gz FBIAXGKWZKBJFS-VIFPVBQESA-N -1 0 321.337 -0.030 20 0 DBADRM CCc1cc(=O)n2nc([N-]C(=O)c3ccc(=O)n(C)n3)[nH]c2n1 ZINC001530311865 1014652528 /nfs/dbraw/zinc/65/25/28/1014652528.db2.gz BIPDFLFVDQUUEC-UHFFFAOYSA-N -1 0 315.293 -0.674 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001349241550 980441286 /nfs/dbraw/zinc/44/12/86/980441286.db2.gz ZSNLFAACPRZWEF-OPRDCNLKSA-N -1 0 323.353 -0.642 20 0 DBADRM CC[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@H](O)C(F)(F)F ZINC001595307117 980464072 /nfs/dbraw/zinc/46/40/72/980464072.db2.gz VWDGYTCULIUMQS-SVRRBLITSA-N -1 0 322.305 -0.071 20 0 DBADRM C[C@@H]1CCC[C@@H](C(=O)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001349408286 980464588 /nfs/dbraw/zinc/46/45/88/980464588.db2.gz WBLLFYDVOPWLMS-RKDXNWHRSA-N -1 0 323.353 -0.045 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C(OC)OC ZINC001595311779 980474358 /nfs/dbraw/zinc/47/43/58/980474358.db2.gz ZONKRTCVSKOYML-SSDOTTSWSA-N -1 0 307.328 -0.216 20 0 DBADRM CCN1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC001596414998 1017139644 /nfs/dbraw/zinc/13/96/44/1017139644.db2.gz KWNKGYRXEXBQQT-MYQWFSQQSA-N -1 0 309.366 -0.434 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC(C)(C)C[C@H](C)O ZINC001349719070 980500921 /nfs/dbraw/zinc/50/09/21/980500921.db2.gz VSIIQVYKHVUGJT-VIFPVBQESA-N -1 0 303.359 -0.916 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](OCC(C)C)C1 ZINC001349752131 980504737 /nfs/dbraw/zinc/50/47/37/980504737.db2.gz CQHLHJXJBUKOLH-LLVKDONJSA-N -1 0 315.370 -0.556 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@H]1CC[C@H](SC)C1 ZINC001349753017 980504753 /nfs/dbraw/zinc/50/47/53/980504753.db2.gz JOIYEXVQNHALDA-UWVGGRQHSA-N -1 0 317.411 -0.087 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(c2cn[nH]c2)CC1 ZINC001349755907 980506423 /nfs/dbraw/zinc/50/64/23/980506423.db2.gz VTFCPDQOTDNPMQ-UHFFFAOYSA-N -1 0 323.353 -0.700 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC001349753529 980506448 /nfs/dbraw/zinc/50/64/48/980506448.db2.gz LMCTUFVDBGGBSR-QWRGUYRKSA-N -1 0 313.354 -0.802 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)C(=O)NCCCCC(=O)[O-] ZINC001349804471 980512093 /nfs/dbraw/zinc/51/20/93/980512093.db2.gz ZNBLKPWBRWBGON-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCC2(C1)CCOCC2 ZINC001349957772 980527525 /nfs/dbraw/zinc/52/75/25/980527525.db2.gz FOWOVFVIENIUHH-PHIMTYICSA-N -1 0 310.350 -0.005 20 0 DBADRM CC[C@@H](O)[C@H](C)C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001595325663 980533239 /nfs/dbraw/zinc/53/32/39/980533239.db2.gz AIHROPPKPYOFGY-VHSXEESVSA-N -1 0 321.395 -0.068 20 0 DBADRM C[C@@H](CC(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001350175166 980544325 /nfs/dbraw/zinc/54/43/25/980544325.db2.gz YQWWOUACQFAQCX-QMMMGPOBSA-N -1 0 323.353 -0.045 20 0 DBADRM CC[C@H](O)CCCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001595328368 980555734 /nfs/dbraw/zinc/55/57/34/980555734.db2.gz QYPBZEGXYHSZHV-QWRGUYRKSA-N -1 0 300.355 -0.023 20 0 DBADRM CO[C@H](CNC(=O)C(=O)NCCCC(=O)[O-])[C@@H]1CCOC1 ZINC001350331589 980561303 /nfs/dbraw/zinc/56/13/03/980561303.db2.gz LJDQMEMWVUHSPN-NXEZZACHSA-N -1 0 302.327 -0.865 20 0 DBADRM CN1CC[C@@](C)(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)C1=O ZINC001350429061 980571244 /nfs/dbraw/zinc/57/12/44/980571244.db2.gz NFUIHOUTFOLFGJ-QMTHXVAHSA-N -1 0 306.370 -0.151 20 0 DBADRM CNC(=O)CCCCC(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001350541333 980580313 /nfs/dbraw/zinc/58/03/13/980580313.db2.gz NRGPXVYGVGYAHY-SNVBAGLBSA-N -1 0 322.369 -0.558 20 0 DBADRM CN(C)C(=O)CNCc1cc(=O)[nH]c(CNC(=O)CC2CC2)n1 ZINC001489070429 1014669850 /nfs/dbraw/zinc/66/98/50/1014669850.db2.gz AEBJGWNWITYSTM-UHFFFAOYSA-N -1 0 321.381 -0.224 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CCO ZINC001350879896 980610665 /nfs/dbraw/zinc/61/06/65/980610665.db2.gz ZKJJANXTOXISEZ-GHMZBOCLSA-N -1 0 315.370 -0.820 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCN(C)C(=O)Cn2ccnc2)c1[O-] ZINC001351386010 980646342 /nfs/dbraw/zinc/64/63/42/980646342.db2.gz IFRNJDINBVOSOT-UHFFFAOYSA-N -1 0 320.353 -0.101 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCN(C)C(=O)Cn2nccn2)c1[O-] ZINC001351384244 980646692 /nfs/dbraw/zinc/64/66/92/980646692.db2.gz DZRQQFRURZIYKC-UHFFFAOYSA-N -1 0 321.341 -0.706 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCOC[C@@H]1CC1CC1 ZINC001351494239 980659686 /nfs/dbraw/zinc/65/96/86/980659686.db2.gz KGBIOWJASWWDOD-NSHDSACASA-N -1 0 313.354 -0.802 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001351547030 980664966 /nfs/dbraw/zinc/66/49/66/980664966.db2.gz WWYABIFJLSCATH-UHFFFAOYSA-N -1 0 323.353 -0.373 20 0 DBADRM COc1ccc(CCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cn1 ZINC001351547216 980665193 /nfs/dbraw/zinc/66/51/93/980665193.db2.gz ZAXHWKITNMSBSD-SECBINFHSA-N -1 0 309.322 -0.414 20 0 DBADRM O=C(c1cnc2ccccc2c1O)N(CCO)CCOCCO ZINC001351617416 980677513 /nfs/dbraw/zinc/67/75/13/980677513.db2.gz MXWQXWYDSAVSOR-UHFFFAOYSA-N -1 0 320.345 -0.029 20 0 DBADRM Cn1nc(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)cc1C1CC1 ZINC001351665409 980680268 /nfs/dbraw/zinc/68/02/68/980680268.db2.gz RQWIKNDUXADVLD-JTQLQIEISA-N -1 0 322.365 -0.002 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N(C)Cc1ccccc1OC ZINC001352609697 980734939 /nfs/dbraw/zinc/73/49/39/980734939.db2.gz QUNIFJOYLIBYRP-UHFFFAOYSA-N -1 0 306.326 -0.004 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001352642099 980736552 /nfs/dbraw/zinc/73/65/52/980736552.db2.gz NVTIRWZSOGEHDT-SNVBAGLBSA-N -1 0 312.374 -0.008 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)CC1=O ZINC001596403153 1017139689 /nfs/dbraw/zinc/13/96/89/1017139689.db2.gz VNAXQOREVWBOIB-DCJFZGGZSA-N -1 0 316.379 -0.220 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCCC13CC3)C2 ZINC001353216723 980790908 /nfs/dbraw/zinc/79/09/08/980790908.db2.gz GQCFQYJXCJFQIP-GLKRBJQHSA-N -1 0 322.361 -0.005 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NC[C@H]1C=CCC1)C2 ZINC001353228651 980791350 /nfs/dbraw/zinc/79/13/50/980791350.db2.gz RNQCSXRHCLTYAU-FIXISWKDSA-N -1 0 308.334 -0.372 20 0 DBADRM CC1(O)CCC(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)CC1 ZINC001354514428 980856791 /nfs/dbraw/zinc/85/67/91/980856791.db2.gz ONOGNPOZKUTMPO-IFQILLTASA-N -1 0 300.355 -0.120 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCCc2ccc(F)cc21 ZINC001354596355 980860805 /nfs/dbraw/zinc/86/08/05/980860805.db2.gz UOOMZYFWIQHJGX-UHFFFAOYSA-N -1 0 309.297 -0.101 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC=C(Br)C1 ZINC001354967797 980881058 /nfs/dbraw/zinc/88/10/58/980881058.db2.gz LVQNAHMBVNOLSS-UHFFFAOYSA-N -1 0 320.143 -0.709 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2ccccc2[C@H](C)C1 ZINC001354969373 980881140 /nfs/dbraw/zinc/88/11/40/980881140.db2.gz RCOMRGYLIDYKCJ-LLVKDONJSA-N -1 0 319.361 -0.031 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)/C=C\C1CC1 ZINC001355773530 980910746 /nfs/dbraw/zinc/91/07/46/980910746.db2.gz TYVJZNOWJSQULD-PLNGDYQASA-N -1 0 307.310 -0.563 20 0 DBADRM CCN(C(=O)CC(N)=O)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001356850840 981002591 /nfs/dbraw/zinc/00/25/91/981002591.db2.gz DLKFGDIGLDTOHU-SECBINFHSA-N -1 0 323.353 -0.638 20 0 DBADRM C[C@H](CNC(=O)C[C@@H]1C=CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001358298203 981122468 /nfs/dbraw/zinc/12/24/68/981122468.db2.gz NCAQUDKLHQUYGS-NXEZZACHSA-N -1 0 323.353 -0.334 20 0 DBADRM C/C=C(\C)C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001358654853 981163471 /nfs/dbraw/zinc/16/34/71/981163471.db2.gz DCVJJDUPWVAINI-XVNBXDOJSA-N -1 0 307.310 -0.372 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CC12CCOCC2 ZINC001361459633 981235933 /nfs/dbraw/zinc/23/59/33/981235933.db2.gz OWNSQDBORNIEEZ-SNVBAGLBSA-N -1 0 303.322 -0.244 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@H](C)CS(C)(=O)=O)cc1=O ZINC001361489238 981243450 /nfs/dbraw/zinc/24/34/50/981243450.db2.gz LXSHDFSBJIMKAA-SNVBAGLBSA-N -1 0 317.411 -0.076 20 0 DBADRM CN(C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1nnn[n-]1 ZINC001361566887 981261212 /nfs/dbraw/zinc/26/12/12/981261212.db2.gz YLORSHFQGQHIHL-UHFFFAOYSA-N -1 0 322.350 -0.202 20 0 DBADRM Cc1cc(=O)n2nc(NC(=O)[C@@]3(C)CCNC(=O)C3)[n-]c2n1 ZINC001361583581 981264853 /nfs/dbraw/zinc/26/48/53/981264853.db2.gz HQWGGTBFWNLSCW-ZDUSSCGKSA-N -1 0 304.310 -0.419 20 0 DBADRM CCOC(=O)[C@H]1CSCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001361586334 981265299 /nfs/dbraw/zinc/26/52/99/981265299.db2.gz DKJSAJWCHZWRIN-ZCFIWIBFSA-N -1 0 314.323 -0.597 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ncc2c(n1)COC2 ZINC001361605359 981270801 /nfs/dbraw/zinc/27/08/01/981270801.db2.gz PICJNBWJIFAUDC-UHFFFAOYSA-N -1 0 313.277 -0.470 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001361609430 981272439 /nfs/dbraw/zinc/27/24/39/981272439.db2.gz KZAMWCNXNVMCBC-GHMZBOCLSA-N -1 0 321.337 -0.667 20 0 DBADRM CCN1CC[C@H](N2C(=O)[C@@H]3C[C@@H](C(=O)[O-])CCN3C2=O)C1=O ZINC001596409218 1017139919 /nfs/dbraw/zinc/13/99/19/1017139919.db2.gz UXCMYYGUECQTLZ-GUBZILKMSA-N -1 0 309.322 -0.265 20 0 DBADRM O=C(CCc1nnn[n-]1)NCCS(=O)(=O)c1ccccc1 ZINC001361677890 981295880 /nfs/dbraw/zinc/29/58/80/981295880.db2.gz MDRYJXDJODXDRO-UHFFFAOYSA-N -1 0 309.351 -0.278 20 0 DBADRM NC(=O)C1(NC(=O)c2c[n-]n3c2nccc3=O)CCCCC1 ZINC001361702320 981300215 /nfs/dbraw/zinc/30/02/15/981300215.db2.gz MIXJTQDAHHSHLT-UHFFFAOYSA-N -1 0 303.322 -0.059 20 0 DBADRM NC(=O)[C@H]1Cc2ccccc2N(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001361744418 981310869 /nfs/dbraw/zinc/31/08/69/981310869.db2.gz MIVPFUNKIBDJBA-VIFPVBQESA-N -1 0 317.305 -0.620 20 0 DBADRM Cc1ccn(C[C@H](C)C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)n1 ZINC001361782525 981321934 /nfs/dbraw/zinc/32/19/34/981321934.db2.gz IJYYDSRQPNLXBP-GXSJLCMTSA-N -1 0 305.342 -0.059 20 0 DBADRM Cc1c[nH]c(=O)c(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1 ZINC001361807451 981330019 /nfs/dbraw/zinc/33/00/19/981330019.db2.gz PZJLEMRDTXDVGY-UHFFFAOYSA-N -1 0 314.305 -0.203 20 0 DBADRM C[C@@H](NC(=O)CCCc1nnn[n-]1)C(=O)NCC(F)(F)F ZINC001361836259 981338487 /nfs/dbraw/zinc/33/84/87/981338487.db2.gz WUGFJXBRDIBGMP-ZCFIWIBFSA-N -1 0 308.264 -0.294 20 0 DBADRM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001361863916 981344953 /nfs/dbraw/zinc/34/49/53/981344953.db2.gz VFQRDQAMBVHCLQ-NSHDSACASA-N -1 0 317.305 -0.699 20 0 DBADRM CN(C(=O)c1c[n-]n2c1nccc2=O)[C@H]1CCCCNC1=O ZINC001361883987 981349481 /nfs/dbraw/zinc/34/94/81/981349481.db2.gz UBRPMSRVOHCIIH-JTQLQIEISA-N -1 0 303.322 -0.237 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001361939484 981366909 /nfs/dbraw/zinc/36/69/09/981366909.db2.gz FZCAAUXDPPZREZ-QMMMGPOBSA-N -1 0 301.372 -0.561 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001361960498 981372527 /nfs/dbraw/zinc/37/25/27/981372527.db2.gz GUUQTALOIGEWNM-ZETCQYMHSA-N -1 0 306.344 -0.981 20 0 DBADRM CCOC(=O)CN(C)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001361972823 981375232 /nfs/dbraw/zinc/37/52/32/981375232.db2.gz CSVVESSLWZUZPM-UHFFFAOYSA-N -1 0 320.305 -0.099 20 0 DBADRM NC(=O)N1CCCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001362012978 981387418 /nfs/dbraw/zinc/38/74/18/981387418.db2.gz WRIJGEGJETVXIT-UHFFFAOYSA-N -1 0 304.310 -0.751 20 0 DBADRM CSC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCOCC1 ZINC001362018368 981388469 /nfs/dbraw/zinc/38/84/69/981388469.db2.gz NZRKSHRQPJGHIL-UHFFFAOYSA-N -1 0 302.356 -0.282 20 0 DBADRM Cc1csc(N2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)n1 ZINC001362045267 981396877 /nfs/dbraw/zinc/39/68/77/981396877.db2.gz SWKFHFZXGJYJOO-UHFFFAOYSA-N -1 0 324.366 -0.197 20 0 DBADRM COC(=O)CN(C)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362046100 981398180 /nfs/dbraw/zinc/39/81/80/981398180.db2.gz HXAQPHSUZHLSCY-UHFFFAOYSA-N -1 0 306.278 -0.489 20 0 DBADRM CN1C[C@@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1=O ZINC001362053460 981399682 /nfs/dbraw/zinc/39/96/82/981399682.db2.gz KMUFZRBBHHPRIW-VIFPVBQESA-N -1 0 301.310 -0.965 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001362053790 981401195 /nfs/dbraw/zinc/40/11/95/981401195.db2.gz LDFWSGGYMCGQDP-UHFFFAOYSA-N -1 0 316.387 -0.937 20 0 DBADRM COc1cccc(CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)n1 ZINC001362060774 981404995 /nfs/dbraw/zinc/40/49/95/981404995.db2.gz KKRZJMYQQPPNCL-SNVBAGLBSA-N -1 0 304.310 -0.254 20 0 DBADRM C[C@H](Cc1cnn(C)c1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362087737 981415688 /nfs/dbraw/zinc/41/56/88/981415688.db2.gz FXPLFYJMVLOWDG-MWLCHTKSSA-N -1 0 305.342 -0.288 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC001362097325 981418352 /nfs/dbraw/zinc/41/83/52/981418352.db2.gz FJMMXENIWTWEMB-SNVBAGLBSA-N -1 0 307.358 -0.461 20 0 DBADRM CN1C[C@H](NC(=O)c2nc[n-]c(=O)c2Br)CC1=O ZINC001362099144 981419781 /nfs/dbraw/zinc/41/97/81/981419781.db2.gz DHFMELOYLRROHH-RXMQYKEDSA-N -1 0 315.127 -0.095 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CCc1nnn[n-]1 ZINC001362122527 981429437 /nfs/dbraw/zinc/42/94/37/981429437.db2.gz IWJYOLLIHCJQIS-SECBINFHSA-N -1 0 316.387 -0.937 20 0 DBADRM CC(C)COC[C@@H](O)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362131836 981432328 /nfs/dbraw/zinc/43/23/28/981432328.db2.gz VAPGZBBGIWJXKE-JTQLQIEISA-N -1 0 316.358 -0.381 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](CO)Cc1ccc(F)cc1 ZINC001362133417 981434174 /nfs/dbraw/zinc/43/41/74/981434174.db2.gz UGBXNDPVEYTSQJ-SNVBAGLBSA-N -1 0 324.312 -0.204 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@@H](O)COCC1CC1 ZINC001362140312 981435739 /nfs/dbraw/zinc/43/57/39/981435739.db2.gz GUMWSDDVBPUSGJ-MRVPVSSYSA-N -1 0 313.310 -0.586 20 0 DBADRM C[C@@](CO)(NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C1CC1 ZINC001362151160 981440431 /nfs/dbraw/zinc/44/04/31/981440431.db2.gz IDJHUBYQRSKBGY-AWEZNQCLSA-N -1 0 302.338 -0.034 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)CS(C)(=O)=O ZINC001362170936 981446560 /nfs/dbraw/zinc/44/65/60/981446560.db2.gz BUTAFMJOXTXBPV-ZCFIWIBFSA-N -1 0 304.328 -0.822 20 0 DBADRM NC(=O)NC1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001362179349 981450386 /nfs/dbraw/zinc/45/03/86/981450386.db2.gz VXZWSUUPLYGANF-UHFFFAOYSA-N -1 0 304.310 -0.705 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(N2CCCNC2=O)CC1 ZINC001362188512 981452996 /nfs/dbraw/zinc/45/29/96/981452996.db2.gz IBGBDRYZNWJFAP-UHFFFAOYSA-N -1 0 322.325 -0.697 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CC1=O ZINC001362189577 981454487 /nfs/dbraw/zinc/45/44/87/981454487.db2.gz QFVATNRODUYBKY-FXPVBKGRSA-N -1 0 315.333 -0.238 20 0 DBADRM CC[C@@H](NC(=O)CCCc1nnn[n-]1)C(=O)N1CCOCC1 ZINC001362195765 981456723 /nfs/dbraw/zinc/45/67/23/981456723.db2.gz CCXBVUGNMXTLQR-SNVBAGLBSA-N -1 0 310.358 -0.724 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC001362200939 981457554 /nfs/dbraw/zinc/45/75/54/981457554.db2.gz SURUFNXLYUISFI-MRVPVSSYSA-N -1 0 305.298 -0.573 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@@H](C(=O)NCc2nc(=O)o[n-]2)C1 ZINC001362198393 981458412 /nfs/dbraw/zinc/45/84/12/981458412.db2.gz HQVINDXPTNATGS-SECBINFHSA-N -1 0 306.282 -0.786 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001362209302 981462067 /nfs/dbraw/zinc/46/20/67/981462067.db2.gz ODMLHHPCDHLLHZ-UHFFFAOYSA-N -1 0 324.362 -0.423 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NCC[S@@](C)=O)cc2=O)n1 ZINC001362232767 981473038 /nfs/dbraw/zinc/47/30/38/981473038.db2.gz CKIDEGURWSROMM-JOCHJYFZSA-N -1 0 323.378 -0.319 20 0 DBADRM COC(=O)[C@@H](COC1CCC1)N(C)C(=O)CCc1nnn[n-]1 ZINC001362244159 981477942 /nfs/dbraw/zinc/47/79/42/981477942.db2.gz OHSRQTKHUNVNKH-SNVBAGLBSA-N -1 0 311.342 -0.299 20 0 DBADRM O=C(c1cnn2c1NCCC2)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362243285 981478006 /nfs/dbraw/zinc/47/80/06/981478006.db2.gz CBBAFYHHVNQAEL-SECBINFHSA-N -1 0 304.314 -0.575 20 0 DBADRM COC[C@H](CCO)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362245082 981478104 /nfs/dbraw/zinc/47/81/04/981478104.db2.gz RBZQCNQAJDRVTR-JTQLQIEISA-N -1 0 322.321 -0.607 20 0 DBADRM CCN(CC(=O)NC)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362242107 981478611 /nfs/dbraw/zinc/47/86/11/981478611.db2.gz LDIHNJIQFSJCFV-UHFFFAOYSA-N -1 0 303.326 -0.717 20 0 DBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1c[n-]ncc1=O ZINC001362258565 981486809 /nfs/dbraw/zinc/48/68/09/981486809.db2.gz ZVYVUMWTISWRLP-SECBINFHSA-N -1 0 303.365 -0.258 20 0 DBADRM CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@H]1CCNC1=O ZINC001362263903 981488081 /nfs/dbraw/zinc/48/80/81/981488081.db2.gz VISZTRJZTGQROB-JTQLQIEISA-N -1 0 301.310 -0.965 20 0 DBADRM CN1C[C@H](NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C(=O)N1 ZINC001362280996 981494363 /nfs/dbraw/zinc/49/43/63/981494363.db2.gz AAUMWAMFXMCUPY-VIFPVBQESA-N -1 0 303.278 -0.895 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N(CCO)C1CC1 ZINC001362290372 981499112 /nfs/dbraw/zinc/49/91/12/981499112.db2.gz XYQFKRZQCBOPBG-UHFFFAOYSA-N -1 0 304.306 -0.137 20 0 DBADRM COC(=O)[C@]1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCSC1 ZINC001362293543 981501349 /nfs/dbraw/zinc/50/13/49/981501349.db2.gz SCLHUFBUKMITMY-JTQLQIEISA-N -1 0 300.296 -0.939 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001362298813 981504550 /nfs/dbraw/zinc/50/45/50/981504550.db2.gz TUJWQZKVWQLZRB-VHSXEESVSA-N -1 0 323.353 -0.261 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H](c1cncn1C)N(C)C)c1nnn[n-]1 ZINC001362303011 981505648 /nfs/dbraw/zinc/50/56/48/981505648.db2.gz VCVKICNECDPNPH-KOLCDFICSA-N -1 0 306.374 -0.202 20 0 DBADRM COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(=O)o[n-]1 ZINC001362316829 981510366 /nfs/dbraw/zinc/51/03/66/981510366.db2.gz BCNXELBDPKZLJF-ZETCQYMHSA-N -1 0 316.314 -0.481 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCc1nc(=O)o[n-]1 ZINC001362317457 981512670 /nfs/dbraw/zinc/51/26/70/981512670.db2.gz FRKFDDBJCSPZTD-XCBNKYQSSA-N -1 0 312.326 -0.965 20 0 DBADRM C[C@@H](O)C[C@H]1COCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362325488 981515171 /nfs/dbraw/zinc/51/51/71/981515171.db2.gz MQOMZJSPKIJYSM-ZJUUUORDSA-N -1 0 314.342 -0.532 20 0 DBADRM CSC[C@](C)(O)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362335676 981519522 /nfs/dbraw/zinc/51/95/22/981519522.db2.gz GVOOYFBSNJUSES-LLVKDONJSA-N -1 0 304.372 -0.300 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC001362338045 981519786 /nfs/dbraw/zinc/51/97/86/981519786.db2.gz YOUXJJRBMZMAQQ-VIFPVBQESA-N -1 0 307.335 -0.223 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1nnc(C2CC2)o1 ZINC001362345522 981524439 /nfs/dbraw/zinc/52/44/39/981524439.db2.gz HFYDYMXSOOIGQR-UHFFFAOYSA-N -1 0 302.312 -0.857 20 0 DBADRM CC(=O)OC[C@@H](CO)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001362350678 981525544 /nfs/dbraw/zinc/52/55/44/981525544.db2.gz TWMFSVHUFOGMEZ-GFCCVEGCSA-N -1 0 313.354 -0.585 20 0 DBADRM O=C(C1CCS(=O)(=O)CC1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362359895 981531248 /nfs/dbraw/zinc/53/12/48/981531248.db2.gz VLHOBGVBWZZMOE-SNVBAGLBSA-N -1 0 313.383 -0.270 20 0 DBADRM COc1nccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)n1 ZINC001362365760 981533050 /nfs/dbraw/zinc/53/30/50/981533050.db2.gz IQTKOUFXXJSABT-MRVPVSSYSA-N -1 0 307.339 -0.071 20 0 DBADRM NC(=O)COC1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001362362854 981533072 /nfs/dbraw/zinc/53/30/72/981533072.db2.gz YYOGZWGYJHQXJV-UHFFFAOYSA-N -1 0 315.355 -0.905 20 0 DBADRM CO[C@@H]1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CCO1 ZINC001362370303 981534434 /nfs/dbraw/zinc/53/44/34/981534434.db2.gz MEFIZYJFBIGKPJ-NSHDSACASA-N -1 0 320.305 -0.289 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362380513 981538801 /nfs/dbraw/zinc/53/88/01/981538801.db2.gz VGXKPKIRRZUCBZ-LURJTMIESA-N -1 0 302.312 -0.997 20 0 DBADRM CC1(C)CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@]2(CCOC2)O1 ZINC001362377120 981539144 /nfs/dbraw/zinc/53/91/44/981539144.db2.gz JTPYILQXYOKJFB-ZDUSSCGKSA-N -1 0 312.326 -0.514 20 0 DBADRM O=C(NC[C@H](CO)[C@H]1CCOC1)c1ccc(-c2nn[nH]n2)cn1 ZINC001362382278 981540241 /nfs/dbraw/zinc/54/02/41/981540241.db2.gz BDTZMOAKUDESHP-WDEREUQCSA-N -1 0 318.337 -0.364 20 0 DBADRM O=C(c1noc2c1COCC2)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362387590 981543706 /nfs/dbraw/zinc/54/37/06/981543706.db2.gz LWVLSMZJKBIWOF-UHFFFAOYSA-N -1 0 320.309 -0.616 20 0 DBADRM O=C([C@@H](O)C1CCCCC1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362391708 981545976 /nfs/dbraw/zinc/54/59/76/981545976.db2.gz XIHQKHXBRQDQKN-NSHDSACASA-N -1 0 309.370 -0.049 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCSC[C@H]2c2nnn[n-]2)C1 ZINC001362408915 981555061 /nfs/dbraw/zinc/55/50/61/981555061.db2.gz OLIUGCQHWXWHED-VGMNWLOBSA-N -1 0 310.383 -0.282 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)nn1 ZINC001362407256 981555300 /nfs/dbraw/zinc/55/53/00/981555300.db2.gz PPRBMUKHRNWWBV-BDAKNGLRSA-N -1 0 306.330 -0.749 20 0 DBADRM CCO[C@@H]1C[C@](O)(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1(C)C ZINC001362411644 981557103 /nfs/dbraw/zinc/55/71/03/981557103.db2.gz IYWITYYBKGVJHO-OQPBUACISA-N -1 0 314.342 -0.628 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001362415267 981558649 /nfs/dbraw/zinc/55/86/49/981558649.db2.gz KQFADNBLNRTMGS-ZJUUUORDSA-N -1 0 311.342 -0.994 20 0 DBADRM NC(=O)C[C@@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001362415651 981559372 /nfs/dbraw/zinc/55/93/72/981559372.db2.gz OQKZUMAKHSYZNT-VIFPVBQESA-N -1 0 318.337 -0.815 20 0 DBADRM NC(=O)C[C@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001362415648 981559399 /nfs/dbraw/zinc/55/93/99/981559399.db2.gz OQKZUMAKHSYZNT-SECBINFHSA-N -1 0 318.337 -0.815 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@H]3CNC(=O)C3)cc2=O)n1 ZINC001362425173 981562496 /nfs/dbraw/zinc/56/24/96/981562496.db2.gz ZAFBPYNZMHCNIM-SECBINFHSA-N -1 0 316.321 -0.809 20 0 DBADRM CCC(CC)(NC(=O)Cn1cc([C@@H](C)O)nn1)c1nnn[n-]1 ZINC001362428164 981563453 /nfs/dbraw/zinc/56/34/53/981563453.db2.gz VJOGAJTWCBKIQH-MRVPVSSYSA-N -1 0 308.346 -0.324 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@H](CO)[C@@H]2CCOC2)cc1=O ZINC001362427739 981563886 /nfs/dbraw/zinc/56/38/86/981563886.db2.gz WIYBLBWVDMXKPU-DGCLKSJQSA-N -1 0 311.382 -0.112 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)NCc2n[nH]c(=O)[n-]2)CC1 ZINC001362427193 981563920 /nfs/dbraw/zinc/56/39/20/981563920.db2.gz SEWKJGKEPPUQSP-UHFFFAOYSA-N -1 0 317.371 -0.812 20 0 DBADRM Cn1cncc1CCC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362435480 981569147 /nfs/dbraw/zinc/56/91/47/981569147.db2.gz KBWWDJUKYFIQDH-UHFFFAOYSA-N -1 0 305.342 -0.624 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362436991 981569384 /nfs/dbraw/zinc/56/93/84/981569384.db2.gz NBDFKZKZDYHVQK-UHFFFAOYSA-N -1 0 319.369 -0.397 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c[nH]1 ZINC001362437754 981570151 /nfs/dbraw/zinc/57/01/51/981570151.db2.gz PHBULBZITRUBAN-UHFFFAOYSA-N -1 0 320.309 -0.562 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)[nH]1 ZINC001362437650 981570584 /nfs/dbraw/zinc/57/05/84/981570584.db2.gz OCNJRLJKUCZKSZ-UHFFFAOYSA-N -1 0 320.309 -0.562 20 0 DBADRM O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362439462 981571037 /nfs/dbraw/zinc/57/10/37/981571037.db2.gz XNFJLKCBBHRFOV-RKDXNWHRSA-N -1 0 303.326 -0.464 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[nH]1 ZINC001362442880 981574059 /nfs/dbraw/zinc/57/40/59/981574059.db2.gz WKJDKTOMTMDOBV-ZCFIWIBFSA-N -1 0 302.298 -0.625 20 0 DBADRM C[C@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C(=O)N(C)C ZINC001362459896 981581404 /nfs/dbraw/zinc/58/14/04/981581404.db2.gz UNPQSQVKSPIXKZ-QMMMGPOBSA-N -1 0 319.321 -0.527 20 0 DBADRM CCc1nnc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)s1 ZINC001362463421 981582766 /nfs/dbraw/zinc/58/27/66/981582766.db2.gz BYLOLHVGFAQKKT-UHFFFAOYSA-N -1 0 306.369 -0.704 20 0 DBADRM C[C@@H](CO[C@@H]1CCOC1)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362465672 981584554 /nfs/dbraw/zinc/58/45/54/981584554.db2.gz CLLASVFXCTZKGO-JGVFFNPUSA-N -1 0 302.356 -0.087 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2Cc3cncn3C2)c1 ZINC001362471965 981588119 /nfs/dbraw/zinc/58/81/19/981588119.db2.gz AEDGZGMOCADFAA-MRVPVSSYSA-N -1 0 322.346 -0.409 20 0 DBADRM COC(=O)[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CCCCC1 ZINC001362473462 981589185 /nfs/dbraw/zinc/58/91/85/981589185.db2.gz YZQFXSWZYIDWQN-SNVBAGLBSA-N -1 0 312.326 -0.073 20 0 DBADRM CSC[C@H](CCO)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362476681 981589752 /nfs/dbraw/zinc/58/97/52/981589752.db2.gz WSJANHRVJWNDIB-JTQLQIEISA-N -1 0 322.394 -0.081 20 0 DBADRM CN(C[C@H](O)CO)C(=O)c1nc[n-]c(=O)c1Br ZINC001362487637 981595959 /nfs/dbraw/zinc/59/59/59/981595959.db2.gz NAEULFJOHITAFQ-YFKPBYRVSA-N -1 0 306.116 -0.630 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)c1nc[n-]c(=O)c1Br ZINC001362486177 981596026 /nfs/dbraw/zinc/59/60/26/981596026.db2.gz GTHNYDJXUJGEBG-BYPYZUCNSA-N -1 0 303.116 -0.191 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCC(OCCO)CC1 ZINC001362489112 981597343 /nfs/dbraw/zinc/59/73/43/981597343.db2.gz WEZSDXDHIDFHBW-UHFFFAOYSA-N -1 0 306.322 -0.364 20 0 DBADRM COC(=O)[C@H](CC(F)F)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362490035 981597364 /nfs/dbraw/zinc/59/73/64/981597364.db2.gz OVSKQXXPCXYCGO-LURJTMIESA-N -1 0 322.268 -0.218 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC2(CCOCC2)O1 ZINC001362491476 981598454 /nfs/dbraw/zinc/59/84/54/981598454.db2.gz GPOVEMIZUBZEIU-QMMMGPOBSA-N -1 0 310.310 -0.307 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@](CO)(c2ccccc2)C1 ZINC001362492470 981599252 /nfs/dbraw/zinc/59/92/52/981599252.db2.gz IMYGAIKRNBFDMQ-OAHLLOKOSA-N -1 0 318.333 -0.148 20 0 DBADRM CC(=O)N1CCC[C@@H](CNC(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001362497523 981599763 /nfs/dbraw/zinc/59/97/63/981599763.db2.gz NRUGILQWLXIKHT-VIFPVBQESA-N -1 0 313.383 -0.023 20 0 DBADRM O=C(CCc1nnn[n-]1)N(CCC(F)(F)F)C[C@H](O)CO ZINC001362498817 981602431 /nfs/dbraw/zinc/60/24/31/981602431.db2.gz CVLPHOZNMWNUAJ-ZETCQYMHSA-N -1 0 311.264 -0.734 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CCC[C@@H]1CO ZINC001362501758 981604013 /nfs/dbraw/zinc/60/40/13/981604013.db2.gz ABNOUWSHBQTFAA-LLVKDONJSA-N -1 0 304.306 -0.137 20 0 DBADRM CN1C[C@@H](C(=O)Nn2c(=O)[n-][nH]c2=O)c2ccccc2C1=O ZINC001362506464 981604937 /nfs/dbraw/zinc/60/49/37/981604937.db2.gz WWGIOEFPMKUVLG-SECBINFHSA-N -1 0 303.278 -0.371 20 0 DBADRM O=C(CCc1nnn[n-]1)NC[C@@H](O)COc1cccc(F)c1 ZINC001362504806 981605258 /nfs/dbraw/zinc/60/52/58/981605258.db2.gz IZPBMZKBAOVSQW-SNVBAGLBSA-N -1 0 309.301 -0.173 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@@H](C)S(N)(=O)=O)cc1=O ZINC001362505115 981605478 /nfs/dbraw/zinc/60/54/78/981605478.db2.gz RJWSRJOWONIZIF-SECBINFHSA-N -1 0 318.399 -0.832 20 0 DBADRM O=C(c1nc[n-]c(=O)c1Br)N1C[C@@H](O)[C@H](CO)C1 ZINC001362535450 981640482 /nfs/dbraw/zinc/64/04/82/981640482.db2.gz MACJTAPVSZKRPM-NTSWFWBYSA-N -1 0 318.127 -0.630 20 0 DBADRM O=C(COC[C@H]1CCCO1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362561260 981680485 /nfs/dbraw/zinc/68/04/85/981680485.db2.gz JRLOAOJUIROPDY-SNVBAGLBSA-N -1 0 311.342 -0.795 20 0 DBADRM O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001362560660 981683725 /nfs/dbraw/zinc/68/37/25/981683725.db2.gz RPRZSYVGFQEDGE-QMMMGPOBSA-N -1 0 321.337 -0.054 20 0 DBADRM CCn1nc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)ccc1=O ZINC001362560610 981683824 /nfs/dbraw/zinc/68/38/24/981683824.db2.gz HJTNVTNNGVZTNC-VIFPVBQESA-N -1 0 303.326 -0.204 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001362565986 981694180 /nfs/dbraw/zinc/69/41/80/981694180.db2.gz IAWWLXMQJQTHIW-DTWKUNHWSA-N -1 0 320.367 -0.842 20 0 DBADRM C[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H](C)[S@@]1=O ZINC001362579864 981721521 /nfs/dbraw/zinc/72/15/21/981721521.db2.gz JPPMDJCOMZALJE-APJWKNSMSA-N -1 0 316.383 -0.163 20 0 DBADRM CC(C)(C)OC(=O)Cn1cc(C(=O)[N-]N2CCCNC2=O)nn1 ZINC001362609314 981750554 /nfs/dbraw/zinc/75/05/54/981750554.db2.gz SRWRMOSCXIPSRA-UHFFFAOYSA-N -1 0 324.341 -0.320 20 0 DBADRM CC1(C)OCC(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CO1 ZINC001362627247 981774647 /nfs/dbraw/zinc/77/46/47/981774647.db2.gz AHVUZIFSJRMRAT-UHFFFAOYSA-N -1 0 318.337 -0.044 20 0 DBADRM Cn1cccc1[C@@H]1COCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362637564 981784076 /nfs/dbraw/zinc/78/40/76/981784076.db2.gz OOZRXEBJKDJZFW-JTQLQIEISA-N -1 0 307.310 -0.372 20 0 DBADRM CO[C@]1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCSC1 ZINC001362645421 981790242 /nfs/dbraw/zinc/79/02/42/981790242.db2.gz NCGVUZWZYXVLMM-SNVBAGLBSA-N -1 0 310.397 -0.909 20 0 DBADRM CCOC(=O)C[C@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362656544 981802282 /nfs/dbraw/zinc/80/22/82/981802282.db2.gz YHLOJGRSAXFHNG-QMMMGPOBSA-N -1 0 300.315 -0.073 20 0 DBADRM O=C(Cn1cc(C2CC2)nn1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362674999 981811032 /nfs/dbraw/zinc/81/10/32/981811032.db2.gz UVIPNCIAPZMNCR-JTQLQIEISA-N -1 0 320.382 -0.015 20 0 DBADRM Cc1ncc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)c(N)n1 ZINC001362674980 981811138 /nfs/dbraw/zinc/81/11/38/981811138.db2.gz UMKUZHXYNQACKW-MRVPVSSYSA-N -1 0 306.355 -0.189 20 0 DBADRM O=C([C@@H]1CCNC(=O)CC1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362675047 981811824 /nfs/dbraw/zinc/81/18/24/981811824.db2.gz VHOWIPQGTVMTKA-DTWKUNHWSA-N -1 0 310.383 -0.268 20 0 DBADRM O=C([C@@H]1CCNC(=O)CC1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362675050 981811989 /nfs/dbraw/zinc/81/19/89/981811989.db2.gz VHOWIPQGTVMTKA-IUCAKERBSA-N -1 0 310.383 -0.268 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCc2nc[nH]c(=O)c2C1 ZINC001362677146 981813199 /nfs/dbraw/zinc/81/31/99/981813199.db2.gz PVDJNWMKSSIQGO-UHFFFAOYSA-N -1 0 308.323 -0.317 20 0 DBADRM C[C@H](c1ccccc1)[C@@H](CO)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362680765 981814598 /nfs/dbraw/zinc/81/45/98/981814598.db2.gz OBNLTMVRRLHLFV-MWLCHTKSSA-N -1 0 306.322 -0.030 20 0 DBADRM COC(=O)COCC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362688744 981820127 /nfs/dbraw/zinc/82/01/27/981820127.db2.gz VRLWKMJQVAPFQU-ZETCQYMHSA-N -1 0 301.328 -0.994 20 0 DBADRM CSCC[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1nnn[n-]1 ZINC001362690706 981822530 /nfs/dbraw/zinc/82/25/30/981822530.db2.gz VNAYJZMYDBTLFG-SFYZADRCSA-N -1 0 319.412 -0.455 20 0 DBADRM CCN1CCC[C@@H](N2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)C1=O ZINC001596418921 1017142123 /nfs/dbraw/zinc/14/21/23/1017142123.db2.gz YOSOTYZKOQGJRN-KYXWUPHJSA-N -1 0 309.322 -0.362 20 0 DBADRM C[C@@H](C[S@@](C)=O)N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362701812 981830606 /nfs/dbraw/zinc/83/06/06/981830606.db2.gz ONSXNUDBPNGGNA-FFVOIRBGSA-N -1 0 304.372 -0.305 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001362712371 981839528 /nfs/dbraw/zinc/83/95/28/981839528.db2.gz HSBIJODCAJXKIQ-SFGNSQDASA-N -1 0 302.294 -0.098 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC001362712381 981839679 /nfs/dbraw/zinc/83/96/79/981839679.db2.gz HSBIJODCAJXKIQ-UJNFCWOMSA-N -1 0 302.294 -0.098 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CC[C@H](C(=O)Nc2cn[nH]c2)C1 ZINC001362714914 981840253 /nfs/dbraw/zinc/84/02/53/981840253.db2.gz FGNBYCYYFHRCKM-VIFPVBQESA-N -1 0 318.341 -0.267 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)Nn1ccnn1 ZINC001362718304 981844588 /nfs/dbraw/zinc/84/45/88/981844588.db2.gz VGVAWOVVDCAZEX-UHFFFAOYSA-N -1 0 317.277 -0.395 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC001362718138 981844668 /nfs/dbraw/zinc/84/46/68/981844668.db2.gz VRPIVJYHYOYYCB-OUAUKWLOSA-N -1 0 300.322 -0.083 20 0 DBADRM COC[C@H](O)CNC(=O)c1nc[n-]c(=O)c1Br ZINC001362725382 981849788 /nfs/dbraw/zinc/84/97/88/981849788.db2.gz SAJOYQYHGRMQLH-RXMQYKEDSA-N -1 0 306.116 -0.318 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362732489 981854632 /nfs/dbraw/zinc/85/46/32/981854632.db2.gz SBJWITFDHIJCIJ-UHFFFAOYSA-N -1 0 305.342 -0.408 20 0 DBADRM O=C(c1cccc(CO)c1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362734324 981857486 /nfs/dbraw/zinc/85/74/86/981857486.db2.gz ZULXCHSKWFLXIW-UHFFFAOYSA-N -1 0 303.322 -0.184 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362745580 981862489 /nfs/dbraw/zinc/86/24/89/981862489.db2.gz YIWGAQRDAFNJAU-NXEZZACHSA-N -1 0 314.342 -0.363 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)CCCc2nnn[n-]2)C1 ZINC001362750167 981864567 /nfs/dbraw/zinc/86/45/67/981864567.db2.gz LULRBISAHIAXQF-SECBINFHSA-N -1 0 316.387 -0.937 20 0 DBADRM CNC(=O)NC1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001362751558 981864982 /nfs/dbraw/zinc/86/49/82/981864982.db2.gz PRWPRHINGNUVDP-UHFFFAOYSA-N -1 0 314.371 -0.478 20 0 DBADRM Cn1cc([C@H]2C[C@H](NC(=O)CCc3nnn[n-]3)CCO2)cn1 ZINC001362758865 981870084 /nfs/dbraw/zinc/87/00/84/981870084.db2.gz IIBULIWNGODTCQ-GHMZBOCLSA-N -1 0 305.342 -0.098 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)c[nH]1 ZINC001362758820 981870114 /nfs/dbraw/zinc/87/01/14/981870114.db2.gz ISLQHBJIKUTGOH-VIFPVBQESA-N -1 0 306.282 -0.472 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)o1 ZINC001362758454 981870324 /nfs/dbraw/zinc/87/03/24/981870324.db2.gz GFWULCGLFLBVTN-SSDOTTSWSA-N -1 0 307.266 -0.207 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001362761436 981871946 /nfs/dbraw/zinc/87/19/46/981871946.db2.gz XWVHXOGWTZWRGH-RNCFNFMXSA-N -1 0 304.310 -0.121 20 0 DBADRM Cn1ccnc1[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001362760892 981872211 /nfs/dbraw/zinc/87/22/11/981872211.db2.gz QXSVOZLHKANNEB-VIFPVBQESA-N -1 0 306.326 -0.171 20 0 DBADRM CN(CCN1CCOC(C)(C)C1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362778529 981882742 /nfs/dbraw/zinc/88/27/42/981882742.db2.gz LCROXRJEDMIUMZ-UHFFFAOYSA-N -1 0 313.358 -0.742 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CC(=O)c2ccccc2O1 ZINC001362797352 981893806 /nfs/dbraw/zinc/89/38/06/981893806.db2.gz UUKMDJPIQXBIRO-QMMMGPOBSA-N -1 0 318.289 -0.161 20 0 DBADRM O=C(c1cc2n(n1)CCC[C@@H]2O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001362805189 981899374 /nfs/dbraw/zinc/89/93/74/981899374.db2.gz GHMSEFRGRDQUGM-KCJUWKMLSA-N -1 0 303.326 -0.147 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1C[C@H]2CCCCN2C1=O ZINC001362820031 981914434 /nfs/dbraw/zinc/91/44/34/981914434.db2.gz POBMXYHWSVQXEW-SFYZADRCSA-N -1 0 311.367 -0.128 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC001362820033 981915579 /nfs/dbraw/zinc/91/55/79/981915579.db2.gz POBMXYHWSVQXEW-YUMQZZPRSA-N -1 0 311.367 -0.128 20 0 DBADRM CN(CC(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C)S(C)(=O)=O ZINC001362821380 981917535 /nfs/dbraw/zinc/91/75/35/981917535.db2.gz FKETUOFABBHLMG-MRVPVSSYSA-N -1 0 320.371 -0.542 20 0 DBADRM COC(=O)[C@@H]1CC(F)(F)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362824530 981917544 /nfs/dbraw/zinc/91/75/44/981917544.db2.gz KAIJXYMEOJAQBT-YFKPBYRVSA-N -1 0 306.225 -0.902 20 0 DBADRM O=C(Cc1ccccc1)NCC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001362824712 981917788 /nfs/dbraw/zinc/91/77/88/981917788.db2.gz XCJAAOJIMLTFOW-LBPRGKRZSA-N -1 0 314.349 -0.126 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)NC1(c2nnn[n-]2)CCC1 ZINC001362832056 981924201 /nfs/dbraw/zinc/92/42/01/981924201.db2.gz CAECPFYUJPJPQM-UHFFFAOYSA-N -1 0 318.341 -0.910 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)[C@H]1CCc2nncn2CC1 ZINC001362831859 981925036 /nfs/dbraw/zinc/92/50/36/981925036.db2.gz AMNKDPRNEYTLOL-VIFPVBQESA-N -1 0 302.342 -0.061 20 0 DBADRM COc1cccc(C[C@@H](O)C(=O)N(C)Cc2nc(=O)o[n-]2)c1 ZINC001362838763 981929254 /nfs/dbraw/zinc/92/92/54/981929254.db2.gz FEUWULFLUMHQGC-LLVKDONJSA-N -1 0 307.306 -0.067 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)c1cnc2c(c1)NC(=O)CO2 ZINC001362838519 981929635 /nfs/dbraw/zinc/92/96/35/981929635.db2.gz ZXMKRHUIPHQVRF-UHFFFAOYSA-N -1 0 315.293 -0.265 20 0 DBADRM Cn1ccnc1[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCO1 ZINC001362849753 981942342 /nfs/dbraw/zinc/94/23/42/981942342.db2.gz UYUARWOVPBJMKX-DTWKUNHWSA-N -1 0 322.325 -0.541 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC001362855642 981947090 /nfs/dbraw/zinc/94/70/90/981947090.db2.gz WPBOFJQXPIMYMS-UHFFFAOYSA-N -1 0 306.253 -0.235 20 0 DBADRM CN(C)C(=O)c1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cn1 ZINC001362868478 981959808 /nfs/dbraw/zinc/95/98/08/981959808.db2.gz ZOPQWYWIMBQFJA-UHFFFAOYSA-N -1 0 306.282 -0.575 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)CCc2nnn[n-]2)CCCC1 ZINC001362872349 981960952 /nfs/dbraw/zinc/96/09/52/981960952.db2.gz KCDQCCIKGRTVBA-UHFFFAOYSA-N -1 0 301.372 -0.394 20 0 DBADRM CCOC(=O)[C@@H](NC(=O)CCc1nnn[n-]1)[C@H]1CCCOC1 ZINC001362892380 981975945 /nfs/dbraw/zinc/97/59/45/981975945.db2.gz RSQLPUVPWLCVDB-CABZTGNLSA-N -1 0 311.342 -0.393 20 0 DBADRM CCOC(=O)[C@H](NC(=O)CCc1nnn[n-]1)[C@@H]1CCCOC1 ZINC001362892371 981977076 /nfs/dbraw/zinc/97/70/76/981977076.db2.gz RSQLPUVPWLCVDB-BXKDBHETSA-N -1 0 311.342 -0.393 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCO[C@H](c2ncon2)C1 ZINC001362894681 981978398 /nfs/dbraw/zinc/97/83/98/981978398.db2.gz SDNHCOQBGPJMPI-LURJTMIESA-N -1 0 312.311 -0.415 20 0 DBADRM CCOC(=O)c1ccc(C(=O)N[C@H](COC)c2nnn[n-]2)nc1 ZINC001362912259 981996431 /nfs/dbraw/zinc/99/64/31/981996431.db2.gz WGLAASVFITZOMV-SNVBAGLBSA-N -1 0 320.309 -0.111 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCCn2nncc2C1 ZINC001362919654 982000835 /nfs/dbraw/zinc/00/08/35/982000835.db2.gz WSZGCEUABVQRHZ-UHFFFAOYSA-N -1 0 307.314 -0.507 20 0 DBADRM C[C@@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C1(CO)CC1 ZINC001362933284 982011611 /nfs/dbraw/zinc/01/16/11/982011611.db2.gz JGYMIPAPULKDNT-SECBINFHSA-N -1 0 302.338 -0.034 20 0 DBADRM CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1nnn[n-]1 ZINC001362938361 982014537 /nfs/dbraw/zinc/01/45/37/982014537.db2.gz FPQGSKUMODNBDZ-LBPRGKRZSA-N -1 0 314.349 -0.168 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001362947573 982021570 /nfs/dbraw/zinc/02/15/70/982021570.db2.gz DWFARLGALAFUGB-UHFFFAOYSA-N -1 0 306.344 -0.959 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@H](O)c2ccnn2C)cc1=O ZINC001362970307 982036525 /nfs/dbraw/zinc/03/65/25/982036525.db2.gz HXRRSHJZIDBQTQ-ZDUSSCGKSA-N -1 0 321.381 -0.042 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@@H](O)c2ccnn2C)cc1=O ZINC001362970302 982037005 /nfs/dbraw/zinc/03/70/05/982037005.db2.gz HXRRSHJZIDBQTQ-CYBMUJFWSA-N -1 0 321.381 -0.042 20 0 DBADRM CN1CCC[C@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C1=O ZINC001362970072 982037652 /nfs/dbraw/zinc/03/76/52/982037652.db2.gz PWGIFJBZUBJBBQ-NSHDSACASA-N -1 0 315.337 -0.575 20 0 DBADRM Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)Cn2c(=O)[n-][nH]c2=O)cn1 ZINC001362976854 982040521 /nfs/dbraw/zinc/04/05/21/982040521.db2.gz JOMCVTCPBPNVLG-QWRGUYRKSA-N -1 0 320.353 -0.050 20 0 DBADRM CC(C)(NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ncon1 ZINC001362991046 982052028 /nfs/dbraw/zinc/05/20/28/982052028.db2.gz SFPXJBHSCMTPNQ-UHFFFAOYSA-N -1 0 303.282 -0.494 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)N1CCN(C)CC1 ZINC001362993434 982053721 /nfs/dbraw/zinc/05/37/21/982053721.db2.gz GAUQYZLSMBQPIU-NWDGAFQWSA-N -1 0 307.402 -0.458 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](c2nnn[n-]2)C1)[C@H](C)S(C)(=O)=O ZINC001362995302 982054928 /nfs/dbraw/zinc/05/49/28/982054928.db2.gz RDZSUPSSQOSJRK-GUBZILKMSA-N -1 0 315.399 -0.025 20 0 DBADRM C[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)[C@H](O)C(F)(F)F ZINC001362998635 982055767 /nfs/dbraw/zinc/05/57/67/982055767.db2.gz ANRLSKJLITZKFN-VDTYLAMSSA-N -1 0 312.248 -0.103 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(O[C@@H]2CCOC2)CC1 ZINC001363011859 982068850 /nfs/dbraw/zinc/06/88/50/982068850.db2.gz MDOJDDZQCLMAJM-SNVBAGLBSA-N -1 0 312.326 -0.514 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001363028293 982084507 /nfs/dbraw/zinc/08/45/07/982084507.db2.gz LQKRDHUVDOKKDO-OIBJUYFYSA-N -1 0 301.310 -0.484 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H](CCO)Cc1ccccc1 ZINC001363030467 982085901 /nfs/dbraw/zinc/08/59/01/982085901.db2.gz YQOMEIQJKPBPFL-LLVKDONJSA-N -1 0 306.322 -0.201 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]([C@@H]1CCOC1)C(F)(F)F ZINC001363040837 982094123 /nfs/dbraw/zinc/09/41/23/982094123.db2.gz KOOSSTVOMXXURV-IYSWYEEDSA-N -1 0 310.232 -0.227 20 0 DBADRM CN(C(=O)CNS(=O)(=O)c1ccccc1F)c1nnn[n-]1 ZINC001363055513 982106020 /nfs/dbraw/zinc/10/60/20/982106020.db2.gz SHGHOQMXZVMWPK-UHFFFAOYSA-N -1 0 314.302 -0.720 20 0 DBADRM O=C(CCc1nnn[n-]1)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC001363057154 982106313 /nfs/dbraw/zinc/10/63/13/982106313.db2.gz UZUMRCXDHFONHY-GXFFZTMASA-N -1 0 309.370 -0.184 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H](O)[C@H](C)O ZINC001363058367 982107884 /nfs/dbraw/zinc/10/78/84/982107884.db2.gz JLSSXJPUDLALLH-CABZTGNLSA-N -1 0 316.379 -0.080 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1c[n-]ncc1=O ZINC001363073365 982117849 /nfs/dbraw/zinc/11/78/49/982117849.db2.gz DAXUMBWVJARCGR-YUMQZZPRSA-N -1 0 310.310 -0.632 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN[C@H](c2ccc(O)cc2)C1 ZINC001363072208 982118490 /nfs/dbraw/zinc/11/84/90/982118490.db2.gz MPIDGGFZJMLJQC-NSHDSACASA-N -1 0 319.321 -0.432 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC(=O)c1cccc(F)c1F ZINC001363090780 982127952 /nfs/dbraw/zinc/12/79/52/982127952.db2.gz WHXJWXLTDZGOKY-UHFFFAOYSA-N -1 0 312.232 -0.033 20 0 DBADRM O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1c[n-]ncc1=O ZINC001363090120 982128318 /nfs/dbraw/zinc/12/83/18/982128318.db2.gz DOLXYQAVRAHXLI-NSHDSACASA-N -1 0 306.322 -0.308 20 0 DBADRM CCCOc1ccnc(CC(=O)NCCc2nc(=O)o[n-]2)n1 ZINC001363093736 982132739 /nfs/dbraw/zinc/13/27/39/982132739.db2.gz UFDVANYARRREQE-UHFFFAOYSA-N -1 0 307.310 -0.157 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC001596427598 1017142560 /nfs/dbraw/zinc/14/25/60/1017142560.db2.gz IQCHKTSRGGSISJ-UHFFFAOYSA-N -1 0 309.366 -0.478 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CC[C@@H](CN2CCCC2=O)C1 ZINC001363098919 982137774 /nfs/dbraw/zinc/13/77/74/982137774.db2.gz DSDFYRZHRQIUFY-NSHDSACASA-N -1 0 306.370 -0.007 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1NC(=O)C[C@H]1c1ccccc1 ZINC001363103192 982140038 /nfs/dbraw/zinc/14/00/38/982140038.db2.gz BEWJJUXQHCTVBZ-VIFPVBQESA-N -1 0 303.278 -0.306 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCc1nnc2n1CCOC2 ZINC001363107896 982144807 /nfs/dbraw/zinc/14/48/07/982144807.db2.gz IDEOFTPZZQGHEC-UHFFFAOYSA-N -1 0 311.327 -0.960 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2COC[C@@H]2O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001363107920 982145434 /nfs/dbraw/zinc/14/54/34/982145434.db2.gz CLUOOSKYXMFVHZ-SFYZADRCSA-N -1 0 306.278 -0.766 20 0 DBADRM CC(=O)N1CCC(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CC1 ZINC001363114480 982147706 /nfs/dbraw/zinc/14/77/06/982147706.db2.gz WXGKEVFZGFEFLU-UHFFFAOYSA-N -1 0 315.355 -0.595 20 0 DBADRM O=C([C@H]1CCCc2n[nH]cc21)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363117667 982148759 /nfs/dbraw/zinc/14/87/59/982148759.db2.gz YNNSTXNJYBVQRS-KWQFWETISA-N -1 0 303.326 -0.057 20 0 DBADRM CC(=O)N1CCC(C(=O)N2CCOC[C@H]2c2nnn[n-]2)CC1 ZINC001363117243 982148855 /nfs/dbraw/zinc/14/88/55/982148855.db2.gz UBJQIHLORHNPAR-NSHDSACASA-N -1 0 308.342 -0.642 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN2CC(F)(F)C[C@H]2C1 ZINC001363133643 982158446 /nfs/dbraw/zinc/15/84/46/982158446.db2.gz DSVWVVNYQPFJMX-ZETCQYMHSA-N -1 0 303.269 -0.759 20 0 DBADRM O=C(CN1Cc2ccccc2OC1=O)Nn1c(=O)[n-][nH]c1=O ZINC001363136106 982160992 /nfs/dbraw/zinc/16/09/92/982160992.db2.gz HSBDSUFDAVTTAI-UHFFFAOYSA-N -1 0 305.250 -0.226 20 0 DBADRM CCn1ncn([N-]C(=O)c2ccsc2S(N)(=O)=O)c1=O ZINC001363138123 982163574 /nfs/dbraw/zinc/16/35/74/982163574.db2.gz NZGSALFFAGZVOG-UHFFFAOYSA-N -1 0 317.352 -0.843 20 0 DBADRM Cc1noc(C2CN(C(=O)Cn3[n-]cc4c(=O)ncnc3-4)C2)n1 ZINC001363142957 982170333 /nfs/dbraw/zinc/17/03/33/982170333.db2.gz ZARVFRSDTPAQBA-UHFFFAOYSA-N -1 0 315.293 -0.611 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)OC(C)(C)C ZINC001363142768 982172666 /nfs/dbraw/zinc/17/26/66/982172666.db2.gz QOAFXMNHOAYNMF-ZETCQYMHSA-N -1 0 300.315 -0.217 20 0 DBADRM O=C(NCCn1ccnn1)c1nc[n-]c(=O)c1Br ZINC001363144522 982176453 /nfs/dbraw/zinc/17/64/53/982176453.db2.gz ZTCQRDJCRHUGMC-UHFFFAOYSA-N -1 0 313.115 -0.034 20 0 DBADRM C[C@H]([C@@H](C)C(=O)NCc1nc([O-])cc(=O)[nH]1)S(C)(=O)=O ZINC001363150101 982181733 /nfs/dbraw/zinc/18/17/33/982181733.db2.gz LXTKSCAZPQXADC-RNFRBKRXSA-N -1 0 303.340 -0.427 20 0 DBADRM CCOC(=O)[C@@]1(C)CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC001363187131 982208018 /nfs/dbraw/zinc/20/80/18/982208018.db2.gz VDIDAAWGVGNZEI-GFCCVEGCSA-N -1 0 312.282 -0.923 20 0 DBADRM COC(=O)[C@@H](CCF)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363193328 982214596 /nfs/dbraw/zinc/21/45/96/982214596.db2.gz FHQQWIRWMNPKDN-SSDOTTSWSA-N -1 0 304.278 -0.513 20 0 DBADRM CCn1nc(C(=O)N2CCC(c3nnn[n-]3)CC2)ccc1=O ZINC001363196038 982215556 /nfs/dbraw/zinc/21/55/56/982215556.db2.gz NDZCRBLBXZTVQA-UHFFFAOYSA-N -1 0 303.326 -0.204 20 0 DBADRM Cc1cc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)ncc1C(N)=O ZINC001363204468 982221297 /nfs/dbraw/zinc/22/12/97/982221297.db2.gz OVTCVJQUMKGJMB-JTQLQIEISA-N -1 0 317.309 -0.784 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC[C@@H](N2CCOC2=O)C1 ZINC001363220238 982235781 /nfs/dbraw/zinc/23/57/81/982235781.db2.gz VPYKZDGWHZHABE-SECBINFHSA-N -1 0 317.305 -0.311 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)c2n[n-]c3ccccc3c2=O)CC1 ZINC001363239548 982250284 /nfs/dbraw/zinc/25/02/84/982250284.db2.gz CQYMKRJXBQEZDY-UHFFFAOYSA-N -1 0 322.346 -0.114 20 0 DBADRM COC(=O)C1=NO[C@@]2(CCN(C(=O)CCc3nnn[n-]3)C2)C1 ZINC001363272891 982294162 /nfs/dbraw/zinc/29/41/62/982294162.db2.gz SJFXFSBUJUJXTA-LBPRGKRZSA-N -1 0 308.298 -0.947 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(C(=O)OC)CC1)C(=O)[O-] ZINC001594892326 982294772 /nfs/dbraw/zinc/29/47/72/982294772.db2.gz ADOYUEOWFXYMDF-CMPLNLGQSA-N -1 0 315.370 -0.014 20 0 DBADRM C[C@H]([C@@H](C)C(=O)N1CCC(c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001363282359 982302195 /nfs/dbraw/zinc/30/21/95/982302195.db2.gz MCRWAHQPUAKYCI-RKDXNWHRSA-N -1 0 315.399 -0.025 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@H]3C[C@H](O)C3)cc2=O)n1 ZINC001363306500 982327336 /nfs/dbraw/zinc/32/73/36/982327336.db2.gz KWZAZSAPOHXTNN-MGCOHNPYSA-N -1 0 303.322 -0.174 20 0 DBADRM CC(C)c1nnc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[nH]1 ZINC001363307743 982329146 /nfs/dbraw/zinc/32/91/46/982329146.db2.gz QPIDEDBFAQONOW-UHFFFAOYSA-N -1 0 316.325 -0.371 20 0 DBADRM CN(CC(C)(C)S(C)(=O)=O)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001363309734 982329886 /nfs/dbraw/zinc/32/98/86/982329886.db2.gz JCHXPODHNBNOFR-UHFFFAOYSA-N -1 0 304.328 -0.822 20 0 DBADRM O=C(c1cn(C2CCOCC2)nn1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363317189 982335564 /nfs/dbraw/zinc/33/55/64/982335564.db2.gz JZQPFLCCCIZLTF-SECBINFHSA-N -1 0 318.341 -0.228 20 0 DBADRM COc1ccc(CN(CCO)C(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC001363321280 982339737 /nfs/dbraw/zinc/33/97/37/982339737.db2.gz LMJWTNRAPVSPNU-UHFFFAOYSA-N -1 0 320.305 -0.074 20 0 DBADRM O=C(NCc1nc([O-])cc(=O)[nH]1)c1ccc2c(n1)OCCO2 ZINC001363332612 982348109 /nfs/dbraw/zinc/34/81/09/982348109.db2.gz VVHINGBIURHQEC-UHFFFAOYSA-N -1 0 304.262 -0.016 20 0 DBADRM COC(=O)[C@@H](Cc1cncs1)NC(=O)CCCc1nnn[n-]1 ZINC001363335214 982348295 /nfs/dbraw/zinc/34/82/95/982348295.db2.gz RATUBRUQAMOKIL-SECBINFHSA-N -1 0 324.366 -0.121 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CCN(CC(F)F)CC1 ZINC001363373425 982367547 /nfs/dbraw/zinc/36/75/47/982367547.db2.gz HTMGNXKHWBWRTA-UHFFFAOYSA-N -1 0 319.312 -0.217 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C(=O)O1 ZINC001363372985 982367583 /nfs/dbraw/zinc/36/75/83/982367583.db2.gz DYSVVWBKYZTQKL-OIBJUYFYSA-N -1 0 302.294 -0.491 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](CNS(C)(=O)=O)C2)c1[O-] ZINC001363383467 982376891 /nfs/dbraw/zinc/37/68/91/982376891.db2.gz GWCOXVNJHOJLDY-MRVPVSSYSA-N -1 0 302.356 -0.565 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H]1CN1CCOCC1 ZINC001363382132 982377678 /nfs/dbraw/zinc/37/76/78/982377678.db2.gz GPLCHMLXFOVEIA-JTQLQIEISA-N -1 0 311.342 -0.988 20 0 DBADRM COC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)CCCc1nnn[n-]1 ZINC001363393168 982385495 /nfs/dbraw/zinc/38/54/95/982385495.db2.gz RLXYGUQEYHVZKG-VHSXEESVSA-N -1 0 311.342 -0.251 20 0 DBADRM O=C(CCN1CCOC1=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001363395409 982386852 /nfs/dbraw/zinc/38/68/52/982386852.db2.gz DJWNTMJTPSPDGH-SNVBAGLBSA-N -1 0 308.342 -0.177 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)C1 ZINC001363399568 982389819 /nfs/dbraw/zinc/38/98/19/982389819.db2.gz NZECQGGLPYOLQG-AXFHLTTASA-N -1 0 306.370 -0.118 20 0 DBADRM NS(=O)(=O)NC1CN(C(=O)c2cc(F)cc(F)c2[O-])C1 ZINC001363403971 982392076 /nfs/dbraw/zinc/39/20/76/982392076.db2.gz GBZPRBNIBIVRBN-UHFFFAOYSA-N -1 0 307.278 -0.712 20 0 DBADRM Cc1ccn(CC(=O)N2CCOC[C@H]2c2nnn[n-]2)c(=O)c1 ZINC001363409371 982396728 /nfs/dbraw/zinc/39/67/28/982396728.db2.gz GTINVZKRJDXGBF-JTQLQIEISA-N -1 0 304.310 -0.730 20 0 DBADRM CC(C)CN1C[C@H](C(=O)N2CCOC[C@H]2c2nnn[n-]2)CC1=O ZINC001363409292 982396737 /nfs/dbraw/zinc/39/67/37/982396737.db2.gz DYSXXPPMSIPXAS-MNOVXSKESA-N -1 0 322.369 -0.396 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)N2CCOC[C@@H]2c2nnn[n-]2)CC1=O ZINC001363409295 982396918 /nfs/dbraw/zinc/39/69/18/982396918.db2.gz DYSXXPPMSIPXAS-WDEREUQCSA-N -1 0 322.369 -0.396 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N[C@@H]1COC[C@@H]1O ZINC001363410522 982397405 /nfs/dbraw/zinc/39/74/05/982397405.db2.gz WQNKLFFPJLZTPQ-MNOVXSKESA-N -1 0 318.326 -0.313 20 0 DBADRM COC[C@H](NC(=O)CCn1c(C)csc1=O)c1nnn[n-]1 ZINC001363410880 982399059 /nfs/dbraw/zinc/39/90/59/982399059.db2.gz GJVDQOGLLILDNC-QMMMGPOBSA-N -1 0 312.355 -0.375 20 0 DBADRM O=C([C@@H]1CCc2nncn2CC1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363411077 982399195 /nfs/dbraw/zinc/39/91/95/982399195.db2.gz XQFGEXVQJWNCCF-NXEZZACHSA-N -1 0 318.341 -0.656 20 0 DBADRM COC[C@H](NC(=O)CCc1c(C)nn(C)c1C)c1nnn[n-]1 ZINC001363412290 982399208 /nfs/dbraw/zinc/39/92/08/982399208.db2.gz IPTZDZLTYAZRTM-NSHDSACASA-N -1 0 307.358 -0.013 20 0 DBADRM COC[C@H](NC(=O)CC1(CS(C)(=O)=O)CC1)c1nnn[n-]1 ZINC001363415724 982401688 /nfs/dbraw/zinc/40/16/88/982401688.db2.gz OBAURPQPFPSUJJ-QMMMGPOBSA-N -1 0 317.371 -0.782 20 0 DBADRM COC[C@@H](NC(=O)CCn1c(C)cc(O)cc1=O)c1nnn[n-]1 ZINC001363431590 982408291 /nfs/dbraw/zinc/40/82/91/982408291.db2.gz IEMNDSXJGHUSOR-SNVBAGLBSA-N -1 0 322.325 -0.731 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1COc2ccc(O)cc2O1)c1nnn[n-]1 ZINC001363433179 982408726 /nfs/dbraw/zinc/40/87/26/982408726.db2.gz JOHCOVDNXBLDOG-LDYMZIIASA-N -1 0 321.293 -0.451 20 0 DBADRM O=C(C[C@@H]1CCC(=O)NC1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001363437841 982413151 /nfs/dbraw/zinc/41/31/51/982413151.db2.gz XYMJFVFVKPTDMF-QWRGUYRKSA-N -1 0 306.370 -0.103 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC001363445751 982417714 /nfs/dbraw/zinc/41/77/14/982417714.db2.gz KLSHLNGBRNLXDI-SECBINFHSA-N -1 0 321.337 -0.100 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CC[C@H](O)[C@H](CO)C2)cc1=O ZINC001363447903 982421828 /nfs/dbraw/zinc/42/18/28/982421828.db2.gz IUKFUAYCAAHTLF-AAEUAGOBSA-N -1 0 311.382 -0.423 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N(C)Cc1nc(=O)o[n-]1)n1cccn1 ZINC001363453878 982426235 /nfs/dbraw/zinc/42/62/35/982426235.db2.gz UMNHYHSTLVDPAX-SECBINFHSA-N -1 0 322.325 -0.763 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N(C)Cc1nc(=O)o[n-]1)n1cccn1 ZINC001363453881 982426553 /nfs/dbraw/zinc/42/65/53/982426553.db2.gz UMNHYHSTLVDPAX-VIFPVBQESA-N -1 0 322.325 -0.763 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC001363461606 982432158 /nfs/dbraw/zinc/43/21/58/982432158.db2.gz QVBRAZTWRYCTDT-MFKMUULPSA-N -1 0 309.370 -0.041 20 0 DBADRM O=C(N[C@@H]1CCc2ccccc2NC1=O)c1n[nH]c(=O)[n-]c1=O ZINC001363464396 982435424 /nfs/dbraw/zinc/43/54/24/982435424.db2.gz ANRWCSGMPGIXRO-SECBINFHSA-N -1 0 315.289 -0.034 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCC(O)(CO)CC1 ZINC001363480063 982443170 /nfs/dbraw/zinc/44/31/70/982443170.db2.gz YINDOGBYFDBXGL-UHFFFAOYSA-N -1 0 320.305 -0.605 20 0 DBADRM CN(C(=O)Cc1ccc(S(N)(=O)=O)s1)c1nnn[n-]1 ZINC001363488717 982449952 /nfs/dbraw/zinc/44/99/52/982449952.db2.gz IFLAECOQNHHWPS-UHFFFAOYSA-N -1 0 302.341 -0.886 20 0 DBADRM O=C(C[C@H]1CCCS1(=O)=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001363489051 982451926 /nfs/dbraw/zinc/45/19/26/982451926.db2.gz XOTZORWJSAJZIQ-SSDOTTSWSA-N -1 0 301.324 -0.529 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1ccc(N2CCCC2)nn1 ZINC001363503194 982468719 /nfs/dbraw/zinc/46/87/19/982468719.db2.gz YUYZYJVIVDYDMY-UHFFFAOYSA-N -1 0 302.294 -0.277 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)s1 ZINC001363509801 982471794 /nfs/dbraw/zinc/47/17/94/982471794.db2.gz BZIZYOMVFJFONZ-ZCFIWIBFSA-N -1 0 308.323 -0.426 20 0 DBADRM Cn1cc2c(n1)CCC[C@H]2C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363512363 982475981 /nfs/dbraw/zinc/47/59/81/982475981.db2.gz MPCIMZAGCDUXLM-BXKDBHETSA-N -1 0 317.353 -0.047 20 0 DBADRM O=C(c1cc2n(n1)CCCC2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363514741 982477072 /nfs/dbraw/zinc/47/70/72/982477072.db2.gz UMHMEWDCFHVEMK-LLVKDONJSA-N -1 0 303.326 -0.054 20 0 DBADRM C[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CCS1(=O)=O ZINC001363514657 982478406 /nfs/dbraw/zinc/47/84/06/982478406.db2.gz OSSMUVYFPMJEMF-MRVPVSSYSA-N -1 0 318.355 -0.885 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CC[C@@H](c3nnn[n-]3)C2)C[C@H]1C ZINC001363522752 982483458 /nfs/dbraw/zinc/48/34/58/982483458.db2.gz FXIZYUVTKIABSA-ZYUZMQFOSA-N -1 0 309.326 -0.518 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@H]2CCNC(=O)[C@H]21 ZINC001363528867 982488752 /nfs/dbraw/zinc/48/87/52/982488752.db2.gz KFKNDOBCOKAMLN-ONGXEEELSA-N -1 0 323.353 -0.403 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001363531575 982491913 /nfs/dbraw/zinc/49/19/13/982491913.db2.gz OYRKQEVGFSAGSG-CYBMUJFWSA-N -1 0 307.262 -0.322 20 0 DBADRM O=C(CCc1nnn[n-]1)NCc1cn(C2CC2)c(=O)[nH]c1=O ZINC001363532734 982492147 /nfs/dbraw/zinc/49/21/47/982492147.db2.gz HGJCWUWPSQQKEF-UHFFFAOYSA-N -1 0 305.298 -0.954 20 0 DBADRM C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)O2)CO1 ZINC001363538218 982495256 /nfs/dbraw/zinc/49/52/56/982495256.db2.gz ZJNHCETUTBGNFU-UJVNDKKSSA-N -1 0 310.310 -0.261 20 0 DBADRM COC(=O)CC[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001363547915 982502089 /nfs/dbraw/zinc/50/20/89/982502089.db2.gz CDSFUFVSPMNYLW-SECBINFHSA-N -1 0 312.326 -0.119 20 0 DBADRM Cn1cnnc1CC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001363592313 982528483 /nfs/dbraw/zinc/52/84/83/982528483.db2.gz IKDNXWKBJAQUAW-UHFFFAOYSA-N -1 0 319.325 -0.494 20 0 DBADRM CO[C@@H]1CCCN(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001363610258 982537323 /nfs/dbraw/zinc/53/73/23/982537323.db2.gz OTTRXZRNQOJKRX-GFCCVEGCSA-N -1 0 317.353 -0.170 20 0 DBADRM CCOC(=O)C1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCCC1 ZINC001363659584 982557427 /nfs/dbraw/zinc/55/74/27/982557427.db2.gz KEYCIHIXVCBHGV-UHFFFAOYSA-N -1 0 312.326 -0.071 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCC(c3nnn[n-]3)CC2)O1 ZINC001363661644 982559345 /nfs/dbraw/zinc/55/93/45/982559345.db2.gz QVCQKZWJEGEASV-MNOVXSKESA-N -1 0 322.369 -0.281 20 0 DBADRM C[C@@H](NC(=O)CCS(=O)(=O)N(C)C)c1nn(C)cc1[O-] ZINC001363665526 982561760 /nfs/dbraw/zinc/56/17/60/982561760.db2.gz LVYMFORLGHDMEW-MRVPVSSYSA-N -1 0 304.372 -0.416 20 0 DBADRM COC(=O)c1ccccc1CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363665499 982561877 /nfs/dbraw/zinc/56/18/77/982561877.db2.gz FEGFIIPDRNGZHZ-UHFFFAOYSA-N -1 0 320.305 -0.165 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001363689264 982572564 /nfs/dbraw/zinc/57/25/64/982572564.db2.gz QRNYEUWZYLLKOY-NXEZZACHSA-N -1 0 320.305 -0.030 20 0 DBADRM O=C(CNC(=O)c1ncccc1O)N1CC[C@]2(CCOC2=O)C1 ZINC001363687858 982572862 /nfs/dbraw/zinc/57/28/62/982572862.db2.gz KMNQHDDDKKLDHQ-HNNXBMFYSA-N -1 0 319.317 -0.317 20 0 DBADRM C[C@@H](O)CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@@H](C)CO ZINC001363701629 982579174 /nfs/dbraw/zinc/57/91/74/982579174.db2.gz BOAAUHIEZLENMH-VHSXEESVSA-N -1 0 320.353 -0.721 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363716499 982585464 /nfs/dbraw/zinc/58/54/64/982585464.db2.gz DBQUOCBNWJODCK-VIFPVBQESA-N -1 0 316.387 -0.765 20 0 DBADRM Cc1occc(=O)c1OCC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363726080 982589296 /nfs/dbraw/zinc/58/92/96/982589296.db2.gz UBHNLVWYSGBGRK-VIFPVBQESA-N -1 0 305.294 -0.144 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1[nH]nc(C)c1[O-] ZINC001531416383 1014860936 /nfs/dbraw/zinc/86/09/36/1014860936.db2.gz MFYXAOPWEJMKRF-UKKRHICBSA-N -1 0 322.365 -0.059 20 0 DBADRM CCn1cc(CNC(=O)CCCc2nnn[n-]2)c(=O)[nH]c1=O ZINC001363730087 982594488 /nfs/dbraw/zinc/59/44/88/982594488.db2.gz WNGBCHMPRUEFNC-UHFFFAOYSA-N -1 0 307.314 -0.879 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC001363742748 982600658 /nfs/dbraw/zinc/60/06/58/982600658.db2.gz UVWIBTZUBRDIRL-VXNVDRBHSA-N -1 0 311.367 -0.271 20 0 DBADRM CCOC(=O)[C@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001363748207 982603730 /nfs/dbraw/zinc/60/37/30/982603730.db2.gz FJFQPVXGLXBOJX-BWKAKNAASA-N -1 0 301.390 -0.653 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H](CC)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001531336933 1014856196 /nfs/dbraw/zinc/85/61/96/1014856196.db2.gz CNOVEMOLIQFHDI-IPWDFOCMSA-N -1 0 309.326 -0.126 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)C1=NN(CCO)C(=O)CC1 ZINC001363797533 982642248 /nfs/dbraw/zinc/64/22/48/982642248.db2.gz BNTCDKDCZCIGRB-UHFFFAOYSA-N -1 0 323.357 -0.845 20 0 DBADRM CNC(=O)C(C)(C)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001363826812 982659598 /nfs/dbraw/zinc/65/95/98/982659598.db2.gz DPQCBTBZKWMPPA-UHFFFAOYSA-N -1 0 311.429 -0.145 20 0 DBADRM Cn1cc([C@@H](CO)[N-]S(=O)(=O)N=S2(=O)CCCC2)cn1 ZINC001363835159 982665540 /nfs/dbraw/zinc/66/55/40/982665540.db2.gz QADKHALOCUXTPA-SNVBAGLBSA-N -1 0 322.412 -0.450 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCOC2)on1 ZINC001363839884 982669213 /nfs/dbraw/zinc/66/92/13/982669213.db2.gz ZYFGHMGVBBPNTH-VXNVDRBHSA-N -1 0 320.323 -0.863 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)[C@H]2CCOC2)on1 ZINC001363839873 982669245 /nfs/dbraw/zinc/66/92/45/982669245.db2.gz ZYFGHMGVBBPNTH-CBAPKCEASA-N -1 0 320.323 -0.863 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001363844240 982670894 /nfs/dbraw/zinc/67/08/94/982670894.db2.gz WUQPJEAOWMPYCI-QMMMGPOBSA-N -1 0 314.385 -0.993 20 0 DBADRM C[C@@H](NC(=O)C[C@@]1(C)CCS(=O)(=O)N1)c1nn(C)cc1[O-] ZINC001363842039 982671377 /nfs/dbraw/zinc/67/13/77/982671377.db2.gz SOGLTXWEERBYCI-PRHODGIISA-N -1 0 316.383 -0.225 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1C(=O)NCC[C@H]1C ZINC001363855441 982676076 /nfs/dbraw/zinc/67/60/76/982676076.db2.gz AQDAXQZYPILFEY-RKDXNWHRSA-N -1 0 311.429 -0.147 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1C(=O)NCC[C@@H]1C ZINC001363855434 982677991 /nfs/dbraw/zinc/67/79/91/982677991.db2.gz AQDAXQZYPILFEY-IUCAKERBSA-N -1 0 311.429 -0.147 20 0 DBADRM COC(=O)C1(NS(=O)(=O)N2CCCOCC2)CCOCC1 ZINC001363863953 982680656 /nfs/dbraw/zinc/68/06/56/982680656.db2.gz RJQZQLZZWFJHPO-UHFFFAOYSA-N -1 0 322.383 -0.735 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001363898722 982708362 /nfs/dbraw/zinc/70/83/62/982708362.db2.gz MIPQUPZZOFFZQF-WJONMLJTSA-N -1 0 304.306 -0.144 20 0 DBADRM Cn1cnc(CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC001363908281 982713770 /nfs/dbraw/zinc/71/37/70/982713770.db2.gz OCEQAKCBOWCCNT-UHFFFAOYSA-N -1 0 310.335 -0.297 20 0 DBADRM Cn1cc([C@H]2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)nn1 ZINC001363915405 982718132 /nfs/dbraw/zinc/71/81/32/982718132.db2.gz WDKYNQNRUZQWJI-QMMMGPOBSA-N -1 0 307.314 -0.776 20 0 DBADRM CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001363919199 982719772 /nfs/dbraw/zinc/71/97/72/982719772.db2.gz OLPDAJIJFXTCNW-ZETCQYMHSA-N -1 0 304.324 -0.131 20 0 DBADRM C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F)C(N)=O ZINC001363923227 982722914 /nfs/dbraw/zinc/72/29/14/982722914.db2.gz CLFGBCRQQVIFLI-ZDVLTJLQSA-N -1 0 323.371 -0.009 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001363932820 982729926 /nfs/dbraw/zinc/72/99/26/982729926.db2.gz AMBPAKKUHUJGQJ-VHSXEESVSA-N -1 0 306.322 -0.915 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CC(=O)N1CCCC1 ZINC001363949917 982744803 /nfs/dbraw/zinc/74/48/03/982744803.db2.gz YPRSMYLCDQFAKP-UHFFFAOYSA-N -1 0 316.335 -0.033 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C(N)=O ZINC001363973089 982760269 /nfs/dbraw/zinc/76/02/69/982760269.db2.gz JPTSKUAQPPBIHC-LWESTGQBSA-N -1 0 315.417 -0.783 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C(N)=O ZINC001363973097 982760435 /nfs/dbraw/zinc/76/04/35/982760435.db2.gz JPTSKUAQPPBIHC-MDTSDYNXSA-N -1 0 315.417 -0.783 20 0 DBADRM O=c1nc(CCNS(=O)(=O)C[C@H]2CC[C@H](C3CC3)O2)[n-]o1 ZINC001363976524 982761002 /nfs/dbraw/zinc/76/10/02/982761002.db2.gz BVIVLFVVSRGNTL-NXEZZACHSA-N -1 0 317.367 -0.218 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@@H](c2ncon2)C1 ZINC001363977082 982762611 /nfs/dbraw/zinc/76/26/11/982762611.db2.gz MBMBAXUMPYVRDF-MRVPVSSYSA-N -1 0 315.293 -0.530 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NS(=O)(=O)c1ccc(C)nn1 ZINC001363979073 982763195 /nfs/dbraw/zinc/76/31/95/982763195.db2.gz LLSIRJOFKACRFL-VIFPVBQESA-N -1 0 322.412 -0.609 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)NC[C@]2(O)CCOC2)c1 ZINC001363978420 982763261 /nfs/dbraw/zinc/76/32/61/982763261.db2.gz RFABJRJJLRUYMZ-GFCCVEGCSA-N -1 0 303.336 -0.170 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H](CCO)C1CC1 ZINC001363980366 982763576 /nfs/dbraw/zinc/76/35/76/982763576.db2.gz LYQKEHFHMJEXJU-SECBINFHSA-N -1 0 317.367 -0.056 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)c1ccc(C)nn1 ZINC001363979071 982764414 /nfs/dbraw/zinc/76/44/14/982764414.db2.gz LLSIRJOFKACRFL-SECBINFHSA-N -1 0 322.412 -0.609 20 0 DBADRM COC[C@H](NS(=O)(=O)C[C@@H](OC)c1ccccc1)C(N)=O ZINC001363983330 982765081 /nfs/dbraw/zinc/76/50/81/982765081.db2.gz YWMOUWXZHKENAH-NWDGAFQWSA-N -1 0 316.379 -0.206 20 0 DBADRM CC(C)(C)OC(=O)Cn1cc(C(=O)[N-]N2CCOC2=O)nn1 ZINC001363990204 982769692 /nfs/dbraw/zinc/76/96/92/982769692.db2.gz GFUIEZRJVIUWES-UHFFFAOYSA-N -1 0 311.298 -0.283 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@H](O)[C@@H]1CCCO1 ZINC001363992542 982771440 /nfs/dbraw/zinc/77/14/40/982771440.db2.gz ICKWXLAABUXTOL-IUCAKERBSA-N -1 0 300.315 -0.874 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001364017367 982785785 /nfs/dbraw/zinc/78/57/85/982785785.db2.gz ATSHYBFQSIBAQS-URHBZAFASA-N -1 0 315.127 -0.062 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)c1nnn[n-]1 ZINC001364028438 982797023 /nfs/dbraw/zinc/79/70/23/982797023.db2.gz LEDOBNSFXABBRM-ZJUUUORDSA-N -1 0 310.358 -0.492 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](COC)c2nnn[n-]2)C1 ZINC001364028197 982798993 /nfs/dbraw/zinc/79/89/93/982798993.db2.gz KTDFGECQEAPTKB-IVZWLZJFSA-N -1 0 311.342 -0.017 20 0 DBADRM COC[C@@H](NC(=O)CS(=O)(=O)C1CCCC1)c1nnn[n-]1 ZINC001364032914 982800473 /nfs/dbraw/zinc/80/04/73/982800473.db2.gz PLLZBJMTYIJNBK-SECBINFHSA-N -1 0 317.371 -0.639 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001364032912 982801100 /nfs/dbraw/zinc/80/11/00/982801100.db2.gz ONOKHABMSMVVEW-SECBINFHSA-N -1 0 313.383 -0.442 20 0 DBADRM COC(=O)C1(CS(=O)(=O)[N-]c2nnn(C)n2)CCCC1 ZINC001364037482 982801836 /nfs/dbraw/zinc/80/18/36/982801836.db2.gz DDWXNDDKCBRGSA-UHFFFAOYSA-N -1 0 303.344 -0.315 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)n1 ZINC001364040671 982803552 /nfs/dbraw/zinc/80/35/52/982803552.db2.gz LDICKKUNTPXDAT-UHFFFAOYSA-N -1 0 316.730 -0.237 20 0 DBADRM CN1CCN(C(=O)C2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001364038762 982803826 /nfs/dbraw/zinc/80/38/26/982803826.db2.gz MOOBYORYNHFKAS-UHFFFAOYSA-N -1 0 322.369 -0.864 20 0 DBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC001364043262 982805695 /nfs/dbraw/zinc/80/56/95/982805695.db2.gz OBVIJHMIIVSVAS-QCNOEVLYSA-N -1 0 321.395 -0.213 20 0 DBADRM CCO[C@@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)[C@@H]1CCOC1 ZINC001364048493 982806402 /nfs/dbraw/zinc/80/64/02/982806402.db2.gz MVQKPIYFXJYNDX-HTQZYQBOSA-N -1 0 318.355 -0.412 20 0 DBADRM CO[C@@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)[C@@H]1CCOC1 ZINC001364046155 982806577 /nfs/dbraw/zinc/80/65/77/982806577.db2.gz AWUIWQXECZILFC-RNFRBKRXSA-N -1 0 304.328 -0.802 20 0 DBADRM CN(C)c1n[nH]c(C[N-]S(=O)(=O)N=S2(=O)CCCC2)n1 ZINC001364047130 982807151 /nfs/dbraw/zinc/80/71/51/982807151.db2.gz RRIJZJSRWSZKDX-UHFFFAOYSA-N -1 0 322.416 -0.533 20 0 DBADRM CS(=O)(=O)c1nnc(NC(=O)c2cc3n(n2)CCCC3)[n-]1 ZINC001364055603 982810835 /nfs/dbraw/zinc/81/08/35/982810835.db2.gz JIYYOSVJFPKYIQ-UHFFFAOYSA-N -1 0 310.339 -0.007 20 0 DBADRM O=c1cc(N2CC[C@H](NS(=O)(=O)c3ncc[n-]3)C2)nc[nH]1 ZINC001364067112 982815272 /nfs/dbraw/zinc/81/52/72/982815272.db2.gz JKXMOFXILWJWTL-QMMMGPOBSA-N -1 0 310.339 -0.538 20 0 DBADRM CN1CCN(CC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC001364066080 982815755 /nfs/dbraw/zinc/81/57/55/982815755.db2.gz BIVYHOPAFQJXOD-NSHDSACASA-N -1 0 308.386 -0.536 20 0 DBADRM CN(CCCNC(=O)c1ncccc1O)Cc1n[nH]c(=O)[n-]1 ZINC001490180964 1014882599 /nfs/dbraw/zinc/88/25/99/1014882599.db2.gz HXJXTGKDAVCAHH-UHFFFAOYSA-N -1 0 306.326 -0.137 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)C(F)F ZINC001532051552 1014882529 /nfs/dbraw/zinc/88/25/29/1014882529.db2.gz XKQMCZOHVGOWEP-BYPYZUCNSA-N -1 0 305.241 -0.970 20 0 DBADRM O=c1ccn(CCNS(=O)(=O)c2ccccc2[O-])c(=O)[nH]1 ZINC001364070422 982816741 /nfs/dbraw/zinc/81/67/41/982816741.db2.gz JTKPYHUOMSIPPU-UHFFFAOYSA-N -1 0 311.319 -0.367 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCC[C@H]2CNC(=O)C2)o1 ZINC001364078025 982819752 /nfs/dbraw/zinc/81/97/52/982819752.db2.gz XOKWTMURGHEQSD-MRVPVSSYSA-N -1 0 316.335 -0.129 20 0 DBADRM CSCC[C@H](NC(=O)c1ccc(C(N)=O)cn1)c1nnn[n-]1 ZINC001364089791 982823448 /nfs/dbraw/zinc/82/34/48/982823448.db2.gz UNBPQPHCEVGUST-QMMMGPOBSA-N -1 0 321.366 -0.082 20 0 DBADRM COC(=O)N1CC(C)(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001364097780 982826434 /nfs/dbraw/zinc/82/64/34/982826434.db2.gz XISLQDQLADNJGR-UHFFFAOYSA-N -1 0 320.309 -0.972 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2c([O-])cc(F)cc2F)C[C@H]1C(N)=O ZINC001364112019 982830026 /nfs/dbraw/zinc/83/00/26/982830026.db2.gz OXLJINSRXPZOKE-KNVOCYPGSA-N -1 0 313.260 -0.671 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCC(C)(C)S(C)(=O)=O ZINC001364121815 982834127 /nfs/dbraw/zinc/83/41/27/982834127.db2.gz DCWLCINDTIBBQL-UHFFFAOYSA-N -1 0 304.376 -0.550 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC001364122301 982834248 /nfs/dbraw/zinc/83/42/48/982834248.db2.gz DNFKFDVEZSKHQE-RYUDHWBXSA-N -1 0 320.353 -0.279 20 0 DBADRM C[C@@]1([C@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)COC(=O)N1 ZINC001364129330 982835141 /nfs/dbraw/zinc/83/51/41/982835141.db2.gz VGAXAENKILHEBE-CPFSXVBKSA-N -1 0 323.309 -0.367 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]CC(F)(F)C(=O)OC)OC ZINC001364125521 982835873 /nfs/dbraw/zinc/83/58/73/982835873.db2.gz KBANGCFOYBPQTN-SSDOTTSWSA-N -1 0 305.299 -0.625 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC1(S(C)(=O)=O)CCCC1 ZINC001364132038 982836902 /nfs/dbraw/zinc/83/69/02/982836902.db2.gz QRYYUZVUYNPPLL-UHFFFAOYSA-N -1 0 316.387 -0.406 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@H]3CCNC3=O)cc2=O)n1 ZINC001364149233 982839839 /nfs/dbraw/zinc/83/98/39/982839839.db2.gz LWYFKZJWKALCCF-VIFPVBQESA-N -1 0 316.321 -0.809 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2cccc(Cl)c2[O-])C[C@@H]1C(N)=O ZINC001364199287 982853894 /nfs/dbraw/zinc/85/38/94/982853894.db2.gz FENWNHLUYBBUPN-YUMQZZPRSA-N -1 0 311.725 -0.296 20 0 DBADRM CS(=O)(=O)CCNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001364220176 982861212 /nfs/dbraw/zinc/86/12/12/982861212.db2.gz FBQQPMWSKHYJPS-QMMMGPOBSA-N -1 0 317.371 -0.556 20 0 DBADRM Cc1[n-][nH]c(=O)c1Sc1nnc(C2CC2)n1CCC(N)=O ZINC001364266246 982877448 /nfs/dbraw/zinc/87/74/48/982877448.db2.gz CWSKLUQHKUOTIN-VIFPVBQESA-N -1 0 308.367 -0.003 20 0 DBADRM CCN1CCN(C(=O)[C@@H](C)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)CC1 ZINC001596427563 1017143969 /nfs/dbraw/zinc/14/39/69/1017143969.db2.gz HKLOXPMKYZIADK-JHJVBQTASA-N -1 0 313.398 -0.287 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCOC[C@H]1CC1CC1 ZINC000927948575 982920288 /nfs/dbraw/zinc/92/02/88/982920288.db2.gz REQSIIJILVTYFU-IJLUTSLNSA-N -1 0 310.350 -0.007 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(c2cnccn2)CC1 ZINC001364371424 982945412 /nfs/dbraw/zinc/94/54/12/982945412.db2.gz AGLBUKBPWVTDKQ-UHFFFAOYSA-N -1 0 303.330 -0.741 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC001364371414 982946295 /nfs/dbraw/zinc/94/62/95/982946295.db2.gz AFIMBVMZESRUIX-MRVPVSSYSA-N -1 0 307.314 -0.466 20 0 DBADRM Cc1c(CCC(=O)N2CCOC[C@@H]2c2nnn[n-]2)cnn1C ZINC001364381918 982952764 /nfs/dbraw/zinc/95/27/64/982952764.db2.gz AHVNZKXHEQBOTE-LLVKDONJSA-N -1 0 305.342 -0.226 20 0 DBADRM COc1cnc([C@H]2CCCN2C(=O)CCNC(N)=O)[nH]c1=O ZINC001364415974 982968467 /nfs/dbraw/zinc/96/84/67/982968467.db2.gz LKFKVPWBUFRWKC-MRVPVSSYSA-N -1 0 309.326 -0.087 20 0 DBADRM CN1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C[C@H]1CO ZINC001364422555 982974329 /nfs/dbraw/zinc/97/43/29/982974329.db2.gz YTRWJUUJTRHESK-LBPRGKRZSA-N -1 0 318.333 -0.222 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCCC[C@H]1CCn1ccnn1 ZINC001364437905 982983405 /nfs/dbraw/zinc/98/34/05/982983405.db2.gz BYTOMFRUEGYQRJ-JTQLQIEISA-N -1 0 321.341 -0.248 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCCC[C@@H]1CCn1ccnn1 ZINC001364437906 982984155 /nfs/dbraw/zinc/98/41/55/982984155.db2.gz BYTOMFRUEGYQRJ-SNVBAGLBSA-N -1 0 321.341 -0.248 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@H](CO)[C@H](O)c1cccnc1 ZINC001364442160 982989921 /nfs/dbraw/zinc/98/99/21/982989921.db2.gz BMCWJRKGEIZBIJ-ZWNOBZJWSA-N -1 0 306.326 -0.872 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@@H](CO)[C@@H](O)c1cccnc1 ZINC001364442150 982990639 /nfs/dbraw/zinc/99/06/39/982990639.db2.gz BMCWJRKGEIZBIJ-GWCFXTLKSA-N -1 0 306.326 -0.872 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001364471925 983012276 /nfs/dbraw/zinc/01/22/76/983012276.db2.gz QYLAUDSVGGMIIO-GFCCVEGCSA-N -1 0 317.353 -0.865 20 0 DBADRM CN(CCCNC(=O)COc1cccnc1)Cc1n[nH]c(=O)[n-]1 ZINC001490259455 1014906705 /nfs/dbraw/zinc/90/67/05/1014906705.db2.gz VNFORYGYOJGNCY-UHFFFAOYSA-N -1 0 320.353 -0.078 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCC(c3nnn[n-]3)CC2)nn1 ZINC001364531392 983042471 /nfs/dbraw/zinc/04/24/71/983042471.db2.gz VMHXTPCONMCYTK-QMMMGPOBSA-N -1 0 306.330 -0.749 20 0 DBADRM COC(=O)c1ncoc1CCC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001364568012 983054927 /nfs/dbraw/zinc/05/49/27/983054927.db2.gz OTVFRYQKXOIANB-MRVPVSSYSA-N -1 0 320.309 -0.077 20 0 DBADRM O=C([C@H]1CCc2nnnn2CC1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001364569860 983056361 /nfs/dbraw/zinc/05/63/61/983056361.db2.gz XXGLUQRNNRYURZ-DTWKUNHWSA-N -1 0 303.330 -0.845 20 0 DBADRM Cn1nccc1C1(O)CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001364679226 983095146 /nfs/dbraw/zinc/09/51/46/983095146.db2.gz XYMJFORONSXTSZ-UHFFFAOYSA-N -1 0 319.369 -0.234 20 0 DBADRM C[S@](=N)(=O)N1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001364715480 983103842 /nfs/dbraw/zinc/10/38/42/983103842.db2.gz ASERXHDKRQYOAH-HXUWFJFHSA-N -1 0 320.400 -0.662 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@@]12CCOC2)Cc1n[nH]c(=O)[n-]1 ZINC001490268126 1014914857 /nfs/dbraw/zinc/91/48/57/1014914857.db2.gz HXPYBQRUFHLFIN-IINYFYTJSA-N -1 0 309.370 -0.125 20 0 DBADRM CNC(=O)C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC001364779429 983130125 /nfs/dbraw/zinc/13/01/25/983130125.db2.gz LIWCSNAVZXVRDR-GOSISDBHSA-N -1 0 305.381 -0.276 20 0 DBADRM COC(C)(C)C[C@H](C)NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001364791504 983135751 /nfs/dbraw/zinc/13/57/51/983135751.db2.gz VSJQANMKXVCSAO-QMMMGPOBSA-N -1 0 319.383 -0.032 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ncc[n-]1)C(=O)N1CCOCC1 ZINC001364793183 983137355 /nfs/dbraw/zinc/13/73/55/983137355.db2.gz QVJWRRSDXXXGPJ-SECBINFHSA-N -1 0 302.356 -0.675 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H](C)S(C)(=O)=O ZINC001364799657 983141720 /nfs/dbraw/zinc/14/17/20/983141720.db2.gz RZIIQYMUEXPSPO-MRVPVSSYSA-N -1 0 320.458 -0.238 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1nnn[n-]1 ZINC001364812591 983148855 /nfs/dbraw/zinc/14/88/55/983148855.db2.gz FBGDKIJLRXKLHY-GXSJLCMTSA-N -1 0 322.369 -0.206 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CNC(=O)C2)oc1Cl ZINC001364814070 983149413 /nfs/dbraw/zinc/14/94/13/983149413.db2.gz JEZOELUICPJLFP-YFKPBYRVSA-N -1 0 322.726 -0.114 20 0 DBADRM COC[C@@H](NC(=O)c1cc(Br)n[nH]1)c1nnn[n-]1 ZINC001364812799 983149990 /nfs/dbraw/zinc/14/99/90/983149990.db2.gz FOZRDDPFFYUKKC-RXMQYKEDSA-N -1 0 316.119 -0.197 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)CC1 ZINC001364820054 983154466 /nfs/dbraw/zinc/15/44/66/983154466.db2.gz SZKDJDTXRCAJRP-SECBINFHSA-N -1 0 313.383 -0.442 20 0 DBADRM COCC[C@H](CO)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001364827751 983159888 /nfs/dbraw/zinc/15/98/88/983159888.db2.gz QSRAKRKOAJJHEX-SECBINFHSA-N -1 0 300.402 -0.520 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC001364828945 983160644 /nfs/dbraw/zinc/16/06/44/983160644.db2.gz PMUMVZASDTVGHK-VIFPVBQESA-N -1 0 324.355 -0.417 20 0 DBADRM COC(=O)C1(S(=O)(=O)[N-]Cc2nc(N(C)C)no2)CCC1 ZINC001364848721 983167702 /nfs/dbraw/zinc/16/77/02/983167702.db2.gz DUPIOGGUQBUPAJ-UHFFFAOYSA-N -1 0 318.355 -0.349 20 0 DBADRM C[C@@H]1COCC[C@H]1NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001364846143 983168145 /nfs/dbraw/zinc/16/81/45/983168145.db2.gz ZFKGNPYTFUZHNI-HTQZYQBOSA-N -1 0 303.340 -0.811 20 0 DBADRM CN(C(=O)CCn1nnc2ccccc2c1=O)c1nnn[n-]1 ZINC001532474634 1014919590 /nfs/dbraw/zinc/91/95/90/1014919590.db2.gz QZIBANAVMHCOCP-UHFFFAOYSA-N -1 0 300.282 -0.642 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H]1CCC[C@H]1O ZINC001364858960 983172644 /nfs/dbraw/zinc/17/26/44/983172644.db2.gz ZJMOVJDNRFPDPZ-HTQZYQBOSA-N -1 0 303.340 -0.304 20 0 DBADRM COC(=O)c1cnc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)s1 ZINC001364859919 983173710 /nfs/dbraw/zinc/17/37/10/983173710.db2.gz DUEZGNWETWXTHE-UHFFFAOYSA-N -1 0 313.295 -0.751 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@@H](C(N)=O)c1ccccn1 ZINC001364875211 983180863 /nfs/dbraw/zinc/18/08/63/983180863.db2.gz HCWXQGATWWBIHF-MRVPVSSYSA-N -1 0 306.369 -0.830 20 0 DBADRM COC(=O)C[C@@H](CNS(=O)(=O)c1nncn1C)C1CC1 ZINC001364884914 983185449 /nfs/dbraw/zinc/18/54/49/983185449.db2.gz UAJCIJJFHHNEHU-VIFPVBQESA-N -1 0 302.356 -0.317 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001364892059 983187249 /nfs/dbraw/zinc/18/72/49/983187249.db2.gz MUDBEFJEHYAGQF-VTYGSRLXSA-N -1 0 314.363 -0.328 20 0 DBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]N2CCCC2=O)c1 ZINC001364896712 983189079 /nfs/dbraw/zinc/18/90/79/983189079.db2.gz FDIZJYMBUMRBCH-UHFFFAOYSA-N -1 0 322.350 -0.307 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)OC)n[nH]1 ZINC001364916677 983197419 /nfs/dbraw/zinc/19/74/19/983197419.db2.gz OZQXHBQPPKKUCU-RNFRBKRXSA-N -1 0 317.323 -0.716 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]CC1N=NC(=O)N1C ZINC001364915445 983197715 /nfs/dbraw/zinc/19/77/15/983197715.db2.gz XSGXFKGXVKMZKD-UHFFFAOYSA-N -1 0 311.389 -0.637 20 0 DBADRM O=c1cc([C@@H]2CCN(S(=O)(=O)c3ncc[n-]3)C2)[nH]c(=O)[nH]1 ZINC001364921190 983199494 /nfs/dbraw/zinc/19/94/94/983199494.db2.gz ATPFZHIIFJJMPT-SSDOTTSWSA-N -1 0 311.323 -0.211 20 0 DBADRM CN1CCN(S(=O)(=O)[N-][C@H](CCO)C(F)(F)F)CC1 ZINC001364967482 983217261 /nfs/dbraw/zinc/21/72/61/983217261.db2.gz MEPMPLQEJMFDHS-MRVPVSSYSA-N -1 0 305.322 -0.619 20 0 DBADRM Cc1cc(C(=O)N[C@@]2(C)CCNC2=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001364984273 983220890 /nfs/dbraw/zinc/22/08/90/983220890.db2.gz FIIORWCODBXXIE-AWEZNQCLSA-N -1 0 317.305 -0.247 20 0 DBADRM CN(C)Cc1nc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)co1 ZINC001365004330 983228460 /nfs/dbraw/zinc/22/84/60/983228460.db2.gz PZBPMGBOXIQUIB-UHFFFAOYSA-N -1 0 324.341 -0.165 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[n-]ncc2=O)C[C@H]1CS(N)(=O)=O ZINC001365051783 983243147 /nfs/dbraw/zinc/24/31/47/983243147.db2.gz IHMYWRMAENEIDA-SFYZADRCSA-N -1 0 300.340 -0.821 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC001365055516 983244673 /nfs/dbraw/zinc/24/46/73/983244673.db2.gz QSXJZDPBDMSGHW-UHFFFAOYSA-N -1 0 317.353 -0.105 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@H](CS(C)(=O)=O)C1 ZINC001365056332 983244802 /nfs/dbraw/zinc/24/48/02/983244802.db2.gz NEPKALPDLBHLGJ-QMMMGPOBSA-N -1 0 302.360 -0.987 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCS(=O)(=O)[C@H](C)C1 ZINC001365056775 983244812 /nfs/dbraw/zinc/24/48/12/983244812.db2.gz UFYBGSBGFPNNEC-HTQZYQBOSA-N -1 0 302.360 -0.798 20 0 DBADRM CCN(C(=O)N=c1nn[n-]n1CC)[C@H]1CCS(=O)(=O)C1 ZINC001365056772 983244925 /nfs/dbraw/zinc/24/49/25/983244925.db2.gz UEGFQWFIRNNCFV-QMMMGPOBSA-N -1 0 302.360 -0.844 20 0 DBADRM C[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1nn(C)cc1[O-] ZINC001365121386 983265922 /nfs/dbraw/zinc/26/59/22/983265922.db2.gz SOLUCAJYQDYRBR-MRVPVSSYSA-N -1 0 321.341 -0.704 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1nnnn1C1CC1 ZINC001365132473 983269401 /nfs/dbraw/zinc/26/94/01/983269401.db2.gz DNIULNWIAAQWLL-UHFFFAOYSA-N -1 0 320.400 -0.396 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1ncc[n-]1 ZINC001365137555 983270359 /nfs/dbraw/zinc/27/03/59/983270359.db2.gz VHSCXNVATLONEG-QMMMGPOBSA-N -1 0 307.397 -0.004 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1ncc[n-]1 ZINC001365137528 983270372 /nfs/dbraw/zinc/27/03/72/983270372.db2.gz VHSCXNVATLONEG-MRVPVSSYSA-N -1 0 307.397 -0.004 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C1CC1 ZINC001365134010 983270791 /nfs/dbraw/zinc/27/07/91/983270791.db2.gz HXMXLKKJDVTSFH-CVJBHZAOSA-N -1 0 313.401 -0.653 20 0 DBADRM COC[C@@H](O)CNC(=O)c1nc[n-]c(=O)c1Br ZINC001365159709 983281801 /nfs/dbraw/zinc/28/18/01/983281801.db2.gz SAJOYQYHGRMQLH-YFKPBYRVSA-N -1 0 306.116 -0.318 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](C)C(=O)NCC(F)(F)F ZINC001365200991 983294891 /nfs/dbraw/zinc/29/48/91/983294891.db2.gz DJXZJLXEUPECPR-RXMQYKEDSA-N -1 0 309.252 -0.697 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)[N-][C@@H](COC)C(=O)OC)CCC1 ZINC001365384711 983358414 /nfs/dbraw/zinc/35/84/14/983358414.db2.gz VWPUCAZTRXKLQJ-VIFPVBQESA-N -1 0 323.367 -0.420 20 0 DBADRM COC[C@H](O)C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC001365386119 983358787 /nfs/dbraw/zinc/35/87/87/983358787.db2.gz SNYQOOMEXSAXJR-GIGQVBGESA-N -1 0 322.408 -0.015 20 0 DBADRM CC(C)[C@@H](CNC(=O)C1(C)CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001532754553 1014938972 /nfs/dbraw/zinc/93/89/72/1014938972.db2.gz MLJSJYPCRCGDLY-MRVPVSSYSA-N -1 0 323.353 -0.047 20 0 DBADRM Cn1nnc(C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)n1 ZINC001365395474 983362683 /nfs/dbraw/zinc/36/26/83/983362683.db2.gz ORRUBGUUEHYAAY-GOSISDBHSA-N -1 0 310.405 -0.559 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCCNC1=O ZINC001365400833 983366235 /nfs/dbraw/zinc/36/62/35/983366235.db2.gz ZRRBHMKBXYCNNQ-DCXZOGHSSA-N -1 0 311.429 -0.004 20 0 DBADRM O=C1CO[C@@H]2CCN(S(=O)(=O)c3ccccc3[O-])C[C@H]2N1 ZINC001365412623 983369592 /nfs/dbraw/zinc/36/95/92/983369592.db2.gz IFRQWQUYETVXTK-MWLCHTKSSA-N -1 0 312.347 -0.330 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@@H](CO)[C@H]1CCCOC1 ZINC001365419314 983375242 /nfs/dbraw/zinc/37/52/42/983375242.db2.gz SGNULTSUSXEPLS-IUCAKERBSA-N -1 0 300.402 -0.664 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CC2(CCC2)CO1)[C@@H](C)O ZINC001365458898 983394784 /nfs/dbraw/zinc/39/47/84/983394784.db2.gz IYWZLSDLQWCQPH-VWYCJHECSA-N -1 0 321.395 -0.213 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(N2CN=NC2=O)CC1 ZINC001365499969 983403885 /nfs/dbraw/zinc/40/38/85/983403885.db2.gz DFMOCJYQDWZKJD-UHFFFAOYSA-N -1 0 307.318 -0.719 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](Cc1ccccc1)C(=O)NC ZINC001365499888 983404621 /nfs/dbraw/zinc/40/46/21/983404621.db2.gz AIRHKLXEIQZKBR-NSHDSACASA-N -1 0 317.353 -0.406 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@H](C(N)=O)c1ccccc1 ZINC001365631635 983446989 /nfs/dbraw/zinc/44/69/89/983446989.db2.gz PTMTVMWGTMVERH-VIFPVBQESA-N -1 0 305.381 -0.225 20 0 DBADRM O=C(NC[C@H]1CCCNC1=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365642864 983452648 /nfs/dbraw/zinc/45/26/48/983452648.db2.gz ZBWIBXYTNPRECL-NXEZZACHSA-N -1 0 322.369 -0.075 20 0 DBADRM CCCn1nccc1NC(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001596121614 983459375 /nfs/dbraw/zinc/45/93/75/983459375.db2.gz FCDKOAYUYQTDDM-AWEZNQCLSA-N -1 0 324.337 -0.066 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC001365653174 983459901 /nfs/dbraw/zinc/45/99/01/983459901.db2.gz OCBMGUYZEYQIGM-IWSPIJDZSA-N -1 0 308.342 -0.337 20 0 DBADRM CCCn1nccc1NC(=O)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001596121804 983460096 /nfs/dbraw/zinc/46/00/96/983460096.db2.gz JZJHAEOHSRUDAD-GXSJLCMTSA-N -1 0 324.337 -0.332 20 0 DBADRM CCCn1nccc1NC(=O)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001596121806 983460274 /nfs/dbraw/zinc/46/02/74/983460274.db2.gz JZJHAEOHSRUDAD-KOLCDFICSA-N -1 0 324.337 -0.332 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)n[nH]1 ZINC001365660792 983462583 /nfs/dbraw/zinc/46/25/83/983462583.db2.gz UIVIAPMACTUXNW-SSDOTTSWSA-N -1 0 316.339 -0.905 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](CO)[C@@H]1CCOC1 ZINC001365686342 983479334 /nfs/dbraw/zinc/47/93/34/983479334.db2.gz CFKIORILQFBAPZ-NXEZZACHSA-N -1 0 314.429 -0.274 20 0 DBADRM Cc1cc(CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)no1 ZINC001365688102 983481309 /nfs/dbraw/zinc/48/13/09/983481309.db2.gz QYQRSOILXXPBTD-UHFFFAOYSA-N -1 0 306.326 -0.306 20 0 DBADRM CCOc1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)[nH]n1 ZINC001365696508 983484682 /nfs/dbraw/zinc/48/46/82/983484682.db2.gz CCAPQYKXPOKPNE-UHFFFAOYSA-N -1 0 321.341 -0.410 20 0 DBADRM COC[C@H](O)C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC001365702665 983486760 /nfs/dbraw/zinc/48/67/60/983486760.db2.gz ABGZGPOJFUPSSN-RBHXEPJQSA-N -1 0 302.418 -0.276 20 0 DBADRM O=S(=O)(N[C@H](c1nc[nH]n1)c1ccccc1)[C@@H]1COC[C@H]1O ZINC001365701635 983487787 /nfs/dbraw/zinc/48/77/87/983487787.db2.gz VAMVZVKJDZFIDD-UTUOFQBUSA-N -1 0 324.362 -0.427 20 0 DBADRM COCC[C@@H](CO)[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001365703337 983490172 /nfs/dbraw/zinc/49/01/72/983490172.db2.gz XSUKVBWOORIQKO-QMMMGPOBSA-N -1 0 307.324 -0.258 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)N[C@@](C)(CO)C(=O)OC)CC1 ZINC001365713601 983495765 /nfs/dbraw/zinc/49/57/65/983495765.db2.gz QWRREFLUGJTICH-NSHDSACASA-N -1 0 323.367 -0.684 20 0 DBADRM CCn1ccc(CNS(=O)(=O)c2cc(C(=O)OC)[nH]n2)n1 ZINC001365714663 983497117 /nfs/dbraw/zinc/49/71/17/983497117.db2.gz RGCKVBAPBXPEEJ-UHFFFAOYSA-N -1 0 313.339 -0.109 20 0 DBADRM O=S(=O)(N[C@H]1CCc2nnnn2CC1)c1ccns1 ZINC001365714908 983497152 /nfs/dbraw/zinc/49/71/52/983497152.db2.gz AIVXQUWOGVELHD-ZETCQYMHSA-N -1 0 300.369 -0.187 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC001365718145 983497681 /nfs/dbraw/zinc/49/76/81/983497681.db2.gz OOKNCANCPCCPMQ-MRVPVSSYSA-N -1 0 311.385 -0.468 20 0 DBADRM C[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C1N=NC(=O)N1C ZINC001365718765 983500500 /nfs/dbraw/zinc/50/05/00/983500500.db2.gz PKYVEEKCDXNQBU-ZETCQYMHSA-N -1 0 323.400 -0.322 20 0 DBADRM COC(=O)c1coc(C[N-]S(=O)(=O)N=S(C)(C)=O)n1 ZINC001365718951 983501243 /nfs/dbraw/zinc/50/12/43/983501243.db2.gz WTXTYUZRTHZRNF-UHFFFAOYSA-N -1 0 311.341 -0.477 20 0 DBADRM O=C1CCCN1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC001365724980 983504766 /nfs/dbraw/zinc/50/47/66/983504766.db2.gz OGRGEWXBEDQOPA-UHFFFAOYSA-N -1 0 324.318 -0.143 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]Cc1n[nH]c([C@@H]2CCOC2)n1 ZINC001365726511 983505460 /nfs/dbraw/zinc/50/54/60/983505460.db2.gz GYPOIJMPLYCGJR-SSDOTTSWSA-N -1 0 323.400 -0.629 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001365821491 983542926 /nfs/dbraw/zinc/54/29/26/983542926.db2.gz JTDAYEKERALPET-LLVKDONJSA-N -1 0 321.385 -0.115 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@]1(c2cnn(C)c2)CCCO1 ZINC001365823459 983544842 /nfs/dbraw/zinc/54/48/42/983544842.db2.gz QQFQXYKMSWSBSE-CYBMUJFWSA-N -1 0 320.357 -0.324 20 0 DBADRM CC1(C(=O)NCCN2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCC1 ZINC001365959650 983612153 /nfs/dbraw/zinc/61/21/53/983612153.db2.gz MEVAOEFQOZZORV-UHFFFAOYSA-N -1 0 322.413 -0.066 20 0 DBADRM CCOCC(=O)N[C@@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001365976419 983630011 /nfs/dbraw/zinc/63/00/11/983630011.db2.gz UTFIKVKZXFAXAA-LLVKDONJSA-N -1 0 319.365 -0.250 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366180107 983732866 /nfs/dbraw/zinc/73/28/66/983732866.db2.gz KQNSVACFPWUGBY-GXSJLCMTSA-N -1 0 324.385 -0.637 20 0 DBADRM CN(CCNC(=O)c1cc2n(n1)CCCC2)Cc1n[nH]c(=O)[n-]1 ZINC001366538229 983852938 /nfs/dbraw/zinc/85/29/38/983852938.db2.gz JYBPZHQWGXYIKX-UHFFFAOYSA-N -1 0 319.369 -0.095 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC001366682957 983905943 /nfs/dbraw/zinc/90/59/43/983905943.db2.gz LXKOYYFFKIXAAE-GHMZBOCLSA-N -1 0 319.369 -0.094 20 0 DBADRM O=C(Cn1cccn1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366687243 983909218 /nfs/dbraw/zinc/90/92/18/983909218.db2.gz WCBGWIUQDQTRTM-SNVBAGLBSA-N -1 0 305.342 -0.655 20 0 DBADRM CC(C)(C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1c[nH]cn1 ZINC001366981376 984098672 /nfs/dbraw/zinc/09/86/72/984098672.db2.gz GWHJNJJEIPPCEZ-UHFFFAOYSA-N -1 0 319.369 -0.241 20 0 DBADRM CN(CCN(C)C(=O)c1cc2n(n1)CCO2)Cc1n[nH]c(=O)[n-]1 ZINC001367514110 984327380 /nfs/dbraw/zinc/32/73/80/984327380.db2.gz CXDGCQWJKGCPMZ-UHFFFAOYSA-N -1 0 321.341 -0.697 20 0 DBADRM Cc1conc1C[NH2+]C[C@H](O)CNC(=O)c1ncccc1[O-] ZINC001367571879 984361635 /nfs/dbraw/zinc/36/16/35/984361635.db2.gz FURCXUKZPMGQRX-JTQLQIEISA-N -1 0 306.322 -0.036 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)C[C@@H]2C=CCC2)c1[O-] ZINC001533171264 1015034646 /nfs/dbraw/zinc/03/46/46/1015034646.db2.gz MUEWJQJBAAEMTP-GHMZBOCLSA-N -1 0 322.365 -0.013 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNCc2nnnn2C2CC2)c1[O-] ZINC001367732131 984577278 /nfs/dbraw/zinc/57/72/78/984577278.db2.gz VOIVZJRNUBFDBG-ZETCQYMHSA-N -1 0 320.357 -0.347 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001367810120 984640335 /nfs/dbraw/zinc/64/03/35/984640335.db2.gz ABHSBJSXKSFZEH-OTYXRUKQSA-N -1 0 324.385 -0.637 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001490585156 1015054682 /nfs/dbraw/zinc/05/46/82/1015054682.db2.gz UIGDLEZSUDPJGB-JTQLQIEISA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@H]1CCCC(=O)N1 ZINC001367830422 984669457 /nfs/dbraw/zinc/66/94/57/984669457.db2.gz UPBXHZMPKKLPPK-NXEZZACHSA-N -1 0 324.385 -0.494 20 0 DBADRM CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)C2 ZINC001490651105 1015068257 /nfs/dbraw/zinc/06/82/57/1015068257.db2.gz JKGAFPAVKFJXRY-MIMYLULJSA-N -1 0 321.337 -0.517 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001368022993 984846383 /nfs/dbraw/zinc/84/63/83/984846383.db2.gz SATZYJFNIWOUAF-VIFPVBQESA-N -1 0 310.358 -0.837 20 0 DBADRM C[C@]1(NC(=O)CCc2nnc[nH]2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368153687 984886907 /nfs/dbraw/zinc/88/69/07/984886907.db2.gz RAXGHDCYCJEUSC-ZDUSSCGKSA-N -1 0 320.357 -0.658 20 0 DBADRM CC/C(C)=C\C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001533233016 1015085240 /nfs/dbraw/zinc/08/52/40/1015085240.db2.gz UJUUIUXJNZHBKQ-NVDWLVSRSA-N -1 0 310.354 -0.013 20 0 DBADRM O=C(CC(F)(F)F)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368292732 985050941 /nfs/dbraw/zinc/05/09/41/985050941.db2.gz RJWOGYCFASPGQC-UHFFFAOYSA-N -1 0 309.248 -0.874 20 0 DBADRM CCCC[C@@H](C)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368297208 985058305 /nfs/dbraw/zinc/05/83/05/985058305.db2.gz PEVTXRRGSJUEII-SNVBAGLBSA-N -1 0 311.386 -0.001 20 0 DBADRM CC[C@H](F)C(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001368616343 985309286 /nfs/dbraw/zinc/30/92/86/985309286.db2.gz SJCDAHMQPWUKHC-ZANVPECISA-N -1 0 315.349 -0.299 20 0 DBADRM CCN1CCO[C@H](C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])C1 ZINC001596442649 1017147274 /nfs/dbraw/zinc/14/72/74/1017147274.db2.gz NPSGXUPOURRUNI-WOPDTQHZSA-N -1 0 300.355 -0.154 20 0 DBADRM CCOCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001490796662 1015118736 /nfs/dbraw/zinc/11/87/36/1015118736.db2.gz HBLFLMAPECRTCO-AOOOYVTPSA-N -1 0 323.353 -0.392 20 0 DBADRM CCN1CCO[C@@H](C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])C1 ZINC001596442505 1017147368 /nfs/dbraw/zinc/14/73/68/1017147368.db2.gz MNYXXKSXCOHXEZ-BXUZGUMPSA-N -1 0 310.354 -0.437 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NCc2nnnn2C)c1[O-] ZINC001368849050 985504782 /nfs/dbraw/zinc/50/47/82/985504782.db2.gz WCVVYZUJWUDLLY-BQBZGAKWSA-N -1 0 308.346 -0.756 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)NCc1ccon1 ZINC001368891571 985547126 /nfs/dbraw/zinc/54/71/26/985547126.db2.gz FKEZVCXWWSWTEE-JGVFFNPUSA-N -1 0 310.314 -0.640 20 0 DBADRM C[C@@H](CNC(=O)Cc1ccn(C)n1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001368947082 985590825 /nfs/dbraw/zinc/59/08/25/985590825.db2.gz YATHYXOFNHLLAH-VIFPVBQESA-N -1 0 307.358 -0.577 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001533356532 1015152817 /nfs/dbraw/zinc/15/28/17/1015152817.db2.gz WDUPWUMOUVHNFK-ALCGYSGWSA-N -1 0 309.326 -0.866 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)N2C[C@@H](O)C[C@H]2CO)c(C(=O)[O-])c1C ZINC001589238708 985815302 /nfs/dbraw/zinc/81/53/02/985815302.db2.gz YDXWAEARDARHQD-UWVGGRQHSA-N -1 0 324.333 -0.279 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)N[C@@H](C)c2nnnn2C)c1[O-] ZINC001369239522 985824306 /nfs/dbraw/zinc/82/43/06/985824306.db2.gz JCWWGLOUYHTGPB-CBAPKCEASA-N -1 0 322.373 -0.241 20 0 DBADRM Cc1cnccc1CC(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001369330915 985898925 /nfs/dbraw/zinc/89/89/25/985898925.db2.gz YGOGMCHQPFRVBF-NSHDSACASA-N -1 0 320.353 -0.977 20 0 DBADRM CC(=O)c1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])n(C)c1 ZINC001589257792 985905745 /nfs/dbraw/zinc/90/57/45/985905745.db2.gz NHJHQSJQRHSWBP-YUMQZZPRSA-N -1 0 309.322 -0.065 20 0 DBADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)CCn1ncn(C)c1=O ZINC001589260829 985913107 /nfs/dbraw/zinc/91/31/07/985913107.db2.gz JUMFWCDRWJBBMA-UHFFFAOYSA-N -1 0 321.293 -0.161 20 0 DBADRM Cc1ccc([C@H](C)C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)o1 ZINC001369362188 985973739 /nfs/dbraw/zinc/97/37/39/985973739.db2.gz LQIYKDPFUGMIIN-VHSXEESVSA-N -1 0 323.353 -0.218 20 0 DBADRM Cc1ccc([C@@H](C)C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)o1 ZINC001369362191 985973903 /nfs/dbraw/zinc/97/39/03/985973903.db2.gz LQIYKDPFUGMIIN-ZJUUUORDSA-N -1 0 323.353 -0.218 20 0 DBADRM CCC(=O)NCC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001490999626 1015184934 /nfs/dbraw/zinc/18/49/34/1015184934.db2.gz XRGPOINGYWAEHP-UHFFFAOYSA-N -1 0 323.353 -0.766 20 0 DBADRM CCNC(=O)CC(=O)NCC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001596456628 1017149750 /nfs/dbraw/zinc/14/97/50/1017149750.db2.gz WKCPALZTUNRGLO-SECBINFHSA-N -1 0 323.353 -0.570 20 0 DBADRM CC(C)(C)C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001533579124 1015198158 /nfs/dbraw/zinc/19/81/58/1015198158.db2.gz VBKZBHNJACXVGS-PLNGDYQASA-N -1 0 309.326 -0.269 20 0 DBADRM CCC(=O)N1CCC[C@H]1CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001369592971 986298029 /nfs/dbraw/zinc/29/80/29/986298029.db2.gz CYSGOOITOZAEPK-VIFPVBQESA-N -1 0 311.342 -0.451 20 0 DBADRM C[C@@H](CNC(=O)c1ccoc1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001369791979 986367985 /nfs/dbraw/zinc/36/79/85/986367985.db2.gz YZHBCLYBOGIJDG-QMMMGPOBSA-N -1 0 323.309 -0.441 20 0 DBADRM C[C@@H](CNC(=O)C1=CCCC1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001369822286 986384432 /nfs/dbraw/zinc/38/44/32/986384432.db2.gz OLHRKENGHKQPPU-QMMMGPOBSA-N -1 0 321.337 -0.030 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC12CC2)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001369955487 986495521 /nfs/dbraw/zinc/49/55/21/986495521.db2.gz BIXJNMDQLMLXJV-RKDXNWHRSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CCO)(NC(=O)[C@H]3C[C@H]3C)C2)c1[O-] ZINC001369980712 986525575 /nfs/dbraw/zinc/52/55/75/986525575.db2.gz XZEOYQFNIUABNZ-SCZZXKLOSA-N -1 0 322.365 -0.227 20 0 DBADRM Cn1cc(CCC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001370057319 986580708 /nfs/dbraw/zinc/58/07/08/986580708.db2.gz CSENQUMRYMVOJZ-LLVKDONJSA-N -1 0 319.369 -0.433 20 0 DBADRM CSCCC(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001534303555 1015245734 /nfs/dbraw/zinc/24/57/34/1015245734.db2.gz YEXSXYUPOQPOTJ-LURJTMIESA-N -1 0 315.355 -0.730 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1cc[nH]c1 ZINC001370581951 986806548 /nfs/dbraw/zinc/80/65/48/986806548.db2.gz YZJSFTMFOZVCIN-MRVPVSSYSA-N -1 0 322.325 -0.706 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)c2cnon2)c1[O-] ZINC001370589906 986811504 /nfs/dbraw/zinc/81/15/04/986811504.db2.gz QPRHMJQIMJQDAX-LURJTMIESA-N -1 0 308.298 -0.303 20 0 DBADRM CCC(=O)NC[C@@H]1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001370964687 987089548 /nfs/dbraw/zinc/08/95/48/987089548.db2.gz SJAQVZZBKHMIRJ-BDAKNGLRSA-N -1 0 311.342 -0.500 20 0 DBADRM C/C=C(/C)C(=O)NC[C@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001534758824 1015278835 /nfs/dbraw/zinc/27/88/35/1015278835.db2.gz VKPOFDZTLRRWBP-ZUYFITGHSA-N -1 0 320.349 -0.217 20 0 DBADRM C/C=C(\C)C(=O)NC[C@@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001534758819 1015279842 /nfs/dbraw/zinc/27/98/42/1015279842.db2.gz VKPOFDZTLRRWBP-LLGDCAAFSA-N -1 0 320.349 -0.217 20 0 DBADRM CC(=O)N(C)C1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001371159333 987244048 /nfs/dbraw/zinc/24/40/48/987244048.db2.gz PYDNBAQYPAMGFJ-UHFFFAOYSA-N -1 0 309.326 -0.659 20 0 DBADRM CC(=O)N1CCC(C2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)CC1 ZINC001371211437 987274600 /nfs/dbraw/zinc/27/46/00/987274600.db2.gz UFWSUAJXMFYJAW-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)CCCn2cccn2)c1[O-] ZINC001491231780 1015301480 /nfs/dbraw/zinc/30/14/80/1015301480.db2.gz MKSMUPFCTPUUPL-UHFFFAOYSA-N -1 0 320.353 -0.053 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001534951870 1015312431 /nfs/dbraw/zinc/31/24/31/1015312431.db2.gz UVWRLCGSZZSQIX-HRDYMLBCSA-N -1 0 309.326 -0.938 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)[C@H](C)c2nncn2C)c1[O-] ZINC001371947234 987565697 /nfs/dbraw/zinc/56/56/97/987565697.db2.gz WPODOMQEMXFGGH-SECBINFHSA-N -1 0 307.358 -0.025 20 0 DBADRM CN(CCNC(=O)CCc1cncn1C)Cc1n[nH]c(=O)[n-]1 ZINC001372204127 987676541 /nfs/dbraw/zinc/67/65/41/987676541.db2.gz OSRJQTCLKBZKMO-UHFFFAOYSA-N -1 0 307.358 -0.575 20 0 DBADRM CCN(CCNC(=O)Cc1cnc(C)o1)Cc1n[nH]c(=O)[n-]1 ZINC001372343000 987733527 /nfs/dbraw/zinc/73/35/27/987733527.db2.gz VYKPIYXNRDMWFC-UHFFFAOYSA-N -1 0 308.342 -0.012 20 0 DBADRM Cc1cnn(CC(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)c1 ZINC001372770644 987870538 /nfs/dbraw/zinc/87/05/38/987870538.db2.gz JTJRZVJHQUKIEO-UHFFFAOYSA-N -1 0 319.369 -0.204 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@H](C)n2cncn2)c1[O-] ZINC001372818935 987894730 /nfs/dbraw/zinc/89/47/30/987894730.db2.gz JDKULQOTNKUBAK-CBAPKCEASA-N -1 0 321.341 -0.489 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2cnns2)c1[O-] ZINC001372818076 987894900 /nfs/dbraw/zinc/89/49/00/987894900.db2.gz HMKCLIUEAJBQEP-YFKPBYRVSA-N -1 0 310.339 -0.176 20 0 DBADRM C[C@H](CC(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001372925972 987970678 /nfs/dbraw/zinc/97/06/78/987970678.db2.gz NXPSEPUJFFWFCC-SFYZADRCSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C(NC1(CNC(=O)[C@@H]2CCCOCC2)CC1)c1cn[nH]n1 ZINC001535230670 1015354568 /nfs/dbraw/zinc/35/45/68/1015354568.db2.gz IDBMCZGVQPUTBW-SNVBAGLBSA-N -1 0 307.354 0.000 20 0 DBADRM C[C@@H](CNC(=O)CC(C)(F)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001373072100 988077695 /nfs/dbraw/zinc/07/76/95/988077695.db2.gz RCXAYLALNUERLW-LURJTMIESA-N -1 0 321.284 -0.645 20 0 DBADRM CC(C)C(=O)NC[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001373174365 988137487 /nfs/dbraw/zinc/13/74/87/988137487.db2.gz WQFGICYWIMIAFA-SECBINFHSA-N -1 0 311.342 -0.690 20 0 DBADRM C[C@H](CCNC(=O)C(C)(C)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001373229186 988161491 /nfs/dbraw/zinc/16/14/91/988161491.db2.gz ZUBCXZCCRKUCBR-SSDOTTSWSA-N -1 0 317.321 -0.552 20 0 DBADRM C[C@H]1CCC[C@H]1CC(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001491358555 1015367947 /nfs/dbraw/zinc/36/79/47/1015367947.db2.gz MFOFHUFGQDSBSF-IUCAKERBSA-N -1 0 323.353 -0.045 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001596495840 1017153779 /nfs/dbraw/zinc/15/37/79/1017153779.db2.gz KZRVQFBNMVCEDO-SNVBAGLBSA-N -1 0 321.399 -0.274 20 0 DBADRM C[C@H](CCNC(=O)[C@@H](C)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001373255657 988176432 /nfs/dbraw/zinc/17/64/32/988176432.db2.gz LZEKYYAOQTUPKH-SFYZADRCSA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@@H](C)NC(=O)Cn2cncn2)c1[O-] ZINC001373259268 988182688 /nfs/dbraw/zinc/18/26/88/988182688.db2.gz QLPCSOJSVDJKKS-MRVPVSSYSA-N -1 0 321.341 -0.660 20 0 DBADRM CCNS(=O)(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001596495607 1017153869 /nfs/dbraw/zinc/15/38/69/1017153869.db2.gz BOYVPHZFNFEEEH-GFCCVEGCSA-N -1 0 306.384 -0.078 20 0 DBADRM O=C(CCn1ccnc1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373376913 988285707 /nfs/dbraw/zinc/28/57/07/988285707.db2.gz PTTYDHZAODNEEO-LLVKDONJSA-N -1 0 319.369 -0.122 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)Cc2ccnn2C)c1[O-] ZINC001373400388 988313268 /nfs/dbraw/zinc/31/32/68/988313268.db2.gz ACVWODORRNDTPB-UHFFFAOYSA-N -1 0 320.353 -0.412 20 0 DBADRM Cc1cc(C(=O)N(C)CCNC(=O)c2[nH]nc(C)c2[O-])[nH]n1 ZINC001373400688 988316456 /nfs/dbraw/zinc/31/64/56/988316456.db2.gz FNOQMTNAOKMLFR-UHFFFAOYSA-N -1 0 306.326 -0.043 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CC(=O)NCC3CCC3)C2)c1[O-] ZINC001373418437 988332618 /nfs/dbraw/zinc/33/26/18/988332618.db2.gz CHXFRFCZANCTEE-UHFFFAOYSA-N -1 0 321.381 -0.246 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373465167 988376522 /nfs/dbraw/zinc/37/65/22/988376522.db2.gz DDLVNDPINVHLOM-VIFPVBQESA-N -1 0 319.369 -0.577 20 0 DBADRM CCn1cc(CC(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001373546699 988441009 /nfs/dbraw/zinc/44/10/09/988441009.db2.gz YRUFQNZWDUCTRV-UHFFFAOYSA-N -1 0 319.369 -0.483 20 0 DBADRM CCOC(=O)[C@@H](C(=O)NCCn1cc(C(=O)[O-])nn1)C(C)C ZINC001596510150 1017154563 /nfs/dbraw/zinc/15/45/63/1017154563.db2.gz HGPLLLZHHOASRJ-SNVBAGLBSA-N -1 0 312.326 -0.072 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001596510489 1017154576 /nfs/dbraw/zinc/15/45/76/1017154576.db2.gz OPUANSKEHGORAR-BDAKNGLRSA-N -1 0 315.322 -0.092 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)[C@@H](CC)C(=O)[O-])CC1 ZINC001596509317 1017154689 /nfs/dbraw/zinc/15/46/89/1017154689.db2.gz HDWMXRAOUVDCGW-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)C1CC1 ZINC001374122443 988787568 /nfs/dbraw/zinc/78/75/68/988787568.db2.gz JLFHTNLNFUZQLF-GXSJLCMTSA-N -1 0 309.370 -0.127 20 0 DBADRM O=C(Cc1cnoc1)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001374134546 988800154 /nfs/dbraw/zinc/80/01/54/988800154.db2.gz SGAFYWYFZWYDAI-SNVBAGLBSA-N -1 0 322.325 -0.942 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001374473156 988884108 /nfs/dbraw/zinc/88/41/08/988884108.db2.gz YONBHNUXXZHCLY-DTWKUNHWSA-N -1 0 311.342 -0.790 20 0 DBADRM CCn1nc(C)c(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001374559170 988922822 /nfs/dbraw/zinc/92/28/22/988922822.db2.gz CIMUWVJDGQNZPS-UHFFFAOYSA-N -1 0 322.373 -0.366 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N[C@]2(CC(=O)[O-])CCOC2)cn1 ZINC001597702909 988935053 /nfs/dbraw/zinc/93/50/53/988935053.db2.gz RPUFHMPSTLDXJP-AWEZNQCLSA-N -1 0 322.321 -0.273 20 0 DBADRM CCc1nccn1CCNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001597706459 988951620 /nfs/dbraw/zinc/95/16/20/988951620.db2.gz RCYWUXLBFAPWGD-UHFFFAOYSA-N -1 0 313.339 -0.155 20 0 DBADRM CCc1ncncc1C(=O)N(C)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001597709339 988958734 /nfs/dbraw/zinc/95/87/34/988958734.db2.gz LQWKYSONLWAUBT-UWVGGRQHSA-N -1 0 320.349 -0.052 20 0 DBADRM CCc1ncncc1C(=O)N(C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001597709341 988959186 /nfs/dbraw/zinc/95/91/86/988959186.db2.gz LQWKYSONLWAUBT-ZJUUUORDSA-N -1 0 320.349 -0.052 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN([C@@H](CCC(=O)[O-])C(=O)OC)C1 ZINC001596495858 1017155073 /nfs/dbraw/zinc/15/50/73/1017155073.db2.gz LQIPPQDUAYYNMQ-ZJUUUORDSA-N -1 0 322.383 -0.594 20 0 DBADRM CCc1nn(C)c(C(N)=O)c1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001597712115 988974763 /nfs/dbraw/zinc/97/47/63/988974763.db2.gz MCDMJHGPVHMKQR-SFYZADRCSA-N -1 0 310.310 -0.348 20 0 DBADRM CCc1nn(C)cc1C(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597722566 988999122 /nfs/dbraw/zinc/99/91/22/988999122.db2.gz BMOPTTLJMGNLNU-ZJUUUORDSA-N -1 0 320.349 -0.356 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)C[C@@](C)(O)C3CC3)C2)c1[O-] ZINC001374618602 989033419 /nfs/dbraw/zinc/03/34/19/989033419.db2.gz ANXXGRUMDRDYTD-OAHLLOKOSA-N -1 0 322.365 -0.085 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)CCc1ocnc1C(=O)[O-] ZINC001596495668 1017155160 /nfs/dbraw/zinc/15/51/60/1017155160.db2.gz FXXSUISMKPQXGN-UHFFFAOYSA-N -1 0 319.339 -0.639 20 0 DBADRM CC1(CCC(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001374756931 989190472 /nfs/dbraw/zinc/19/04/72/989190472.db2.gz XXFSEGWGHVKDRV-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM CC[C@H](C)C(=O)NCC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001374795007 989219399 /nfs/dbraw/zinc/21/93/99/989219399.db2.gz IGJWSWYIJXDAIB-VIFPVBQESA-N -1 0 322.365 -0.280 20 0 DBADRM C[C@@H]1CN(CCn2nc3ccccn3c2=O)C[C@@H](C(=O)[O-])O1 ZINC001599865532 989246990 /nfs/dbraw/zinc/24/69/90/989246990.db2.gz HQRPSIAWLZVPRO-MNOVXSKESA-N -1 0 306.322 -0.330 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC2CC2)c1[O-] ZINC001374878004 989279743 /nfs/dbraw/zinc/27/97/43/989279743.db2.gz WHXSNICBYRBJTL-QMMMGPOBSA-N -1 0 309.370 -0.342 20 0 DBADRM CC(=O)N1CC[C@@](C)(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001536849614 1015469483 /nfs/dbraw/zinc/46/94/83/1015469483.db2.gz MRLNNKVJRDZLBW-CYBMUJFWSA-N -1 0 311.342 -0.403 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)CC(=O)N2CCC2)c1[O-] ZINC001375014512 989363183 /nfs/dbraw/zinc/36/31/83/989363183.db2.gz BRKKTVKCSHBZCY-VIFPVBQESA-N -1 0 309.370 -0.294 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC001536919781 1015478965 /nfs/dbraw/zinc/47/89/65/1015478965.db2.gz PUFQRZJNPREKGW-UHFFFAOYSA-N -1 0 314.305 -0.467 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1(CNC(=O)C2CC2)CCCC1 ZINC001375302985 989541038 /nfs/dbraw/zinc/54/10/38/989541038.db2.gz SWCRBVTYZJWLOX-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM COCC(=O)NCCCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001491555135 1015486512 /nfs/dbraw/zinc/48/65/12/1015486512.db2.gz HFGGKXJTNVYXEN-UHFFFAOYSA-N -1 0 308.294 -0.189 20 0 DBADRM O=C(CCc1ccon1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001375326787 989553650 /nfs/dbraw/zinc/55/36/50/989553650.db2.gz OCONGCJJQWUVGB-JTQLQIEISA-N -1 0 306.326 -0.178 20 0 DBADRM Cc1oncc1CN1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001375367722 989575488 /nfs/dbraw/zinc/57/54/88/989575488.db2.gz MSVAHWQKKOXJHM-JTQLQIEISA-N -1 0 322.325 -0.624 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1C/C=C/Cl ZINC001375365821 989576465 /nfs/dbraw/zinc/57/64/65/989576465.db2.gz HQVZSUGRISRHFL-YUQHSTNDSA-N -1 0 301.734 -0.368 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1C/C=C\Cl ZINC001375365729 989576882 /nfs/dbraw/zinc/57/68/82/989576882.db2.gz HQVZSUGRISRHFL-CJKINAQCSA-N -1 0 301.734 -0.368 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)c1cc[nH]c(=O)c1 ZINC001375410065 989589827 /nfs/dbraw/zinc/58/98/27/989589827.db2.gz PYRIUZWJWRYXFR-UHFFFAOYSA-N -1 0 304.310 -0.337 20 0 DBADRM Cn1nccc1CCC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001375423261 989594200 /nfs/dbraw/zinc/59/42/00/989594200.db2.gz PEKREYYNNBKQPU-UHFFFAOYSA-N -1 0 319.369 -0.385 20 0 DBADRM O=C(NCCCNC(=O)[C@@H]1CC=CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001491587791 1015506252 /nfs/dbraw/zinc/50/62/52/1015506252.db2.gz ZJRXZZCHUYDALB-SECBINFHSA-N -1 0 321.337 -0.125 20 0 DBADRM Cc1ccoc1C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375992229 989835483 /nfs/dbraw/zinc/83/54/83/989835483.db2.gz DKVOKFMUQJJKSE-CQSZACIVSA-N -1 0 321.337 -0.221 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(C)(C)NC(=O)COC(C)(C)C ZINC001538748165 1015517158 /nfs/dbraw/zinc/51/71/58/1015517158.db2.gz ZVMRTTSUWDUMRJ-UHFFFAOYSA-N -1 0 303.359 -0.510 20 0 DBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)N(C)c1nnn[n-]1)C2=O ZINC001539041121 1015517840 /nfs/dbraw/zinc/51/78/40/1015517840.db2.gz NIXSHLSRHRNMMT-UHFFFAOYSA-N -1 0 300.278 -0.233 20 0 DBADRM CCCC1(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001376231863 989968601 /nfs/dbraw/zinc/96/86/01/989968601.db2.gz OYRGSAJEKRTJCI-UHFFFAOYSA-N -1 0 309.370 -0.247 20 0 DBADRM CCOC(=O)C(NC(=O)CCCc1nnn[n-]1)C(=O)OCC ZINC001540738001 1015528446 /nfs/dbraw/zinc/52/84/46/1015528446.db2.gz WNCDIYVISNIFIU-UHFFFAOYSA-N -1 0 313.314 -0.867 20 0 DBADRM O=C(C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)c1ccc(O)cc1 ZINC001542946129 1015534484 /nfs/dbraw/zinc/53/44/84/1015534484.db2.gz IIUGFUWRIKMFGL-SNVBAGLBSA-N -1 0 303.278 -0.312 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376484826 990103419 /nfs/dbraw/zinc/10/34/19/990103419.db2.gz VTEHOIJHUJHZNU-HFAKWTLXSA-N -1 0 323.397 -0.001 20 0 DBADRM CCOCCOC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001543080921 1015536988 /nfs/dbraw/zinc/53/69/88/1015536988.db2.gz CWGNKENCVVOFSB-UHFFFAOYSA-N -1 0 312.326 -0.060 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C(C)C)c1[O-] ZINC001376580706 990198864 /nfs/dbraw/zinc/19/88/64/990198864.db2.gz GXIGSXZIWOEHQU-PSASIEDQSA-N -1 0 312.370 -0.077 20 0 DBADRM O=C(Cc1cc[nH]n1)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001376584585 990201089 /nfs/dbraw/zinc/20/10/89/990201089.db2.gz YBGQZYVDSQWHNO-LLVKDONJSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(Cn1nnnc1-c1ccsc1)NCc1n[nH]c(=O)[n-]1 ZINC001545329545 1015551280 /nfs/dbraw/zinc/55/12/80/1015551280.db2.gz OVJPKOUAEXIUPQ-UHFFFAOYSA-N -1 0 306.311 -0.458 20 0 DBADRM Cc1cnc(CN[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)nc1 ZINC001491656021 1015551279 /nfs/dbraw/zinc/55/12/79/1015551279.db2.gz ZRKWKRJMVGYAEP-SECBINFHSA-N -1 0 321.341 -0.918 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC(C(=O)NCCCO)CC2)c1[O-] ZINC001545665407 1015553037 /nfs/dbraw/zinc/55/30/37/1015553037.db2.gz QUFDUVAGAFYCPL-UHFFFAOYSA-N -1 0 310.354 -0.225 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC(C(=O)NCCCO)CC1 ZINC001545667051 1015553619 /nfs/dbraw/zinc/55/36/19/1015553619.db2.gz FXVUGXYXSCINEK-UHFFFAOYSA-N -1 0 324.385 -0.740 20 0 DBADRM CCOC(=O)[C@H](N)C(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001596536270 1017156700 /nfs/dbraw/zinc/15/67/00/1017156700.db2.gz WGCWLYGFNCHRGW-GHMZBOCLSA-N -1 0 309.322 -0.669 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)Nn3cnnc3)cc2=O)n1 ZINC001546184592 1015555936 /nfs/dbraw/zinc/55/59/36/1015555936.db2.gz NQTPZFXNNMJUAI-UHFFFAOYSA-N -1 0 300.282 -0.452 20 0 DBADRM C[C@H](CNC(=O)CCn1cccc1)NCc1nc(=O)n(C)[nH]1 ZINC001376838965 990342165 /nfs/dbraw/zinc/34/21/65/990342165.db2.gz RSCWAQBHCFBEGJ-LLVKDONJSA-N -1 0 306.370 -0.406 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2ccnn2C)c1[O-] ZINC001376865787 990359584 /nfs/dbraw/zinc/35/95/84/990359584.db2.gz NJLIKHVMYXHJLD-SSDOTTSWSA-N -1 0 306.326 -0.294 20 0 DBADRM CCn1nncc1C(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001376931591 990389996 /nfs/dbraw/zinc/38/99/96/990389996.db2.gz UMWROFTVIUHFTK-UHFFFAOYSA-N -1 0 322.373 -0.284 20 0 DBADRM CCc1c(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001377186436 990476015 /nfs/dbraw/zinc/47/60/15/990476015.db2.gz DRJYXPMOYIRJJO-UHFFFAOYSA-N -1 0 307.358 -0.332 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001377193192 990479752 /nfs/dbraw/zinc/47/97/52/990479752.db2.gz QJSNUUQPXFLJTF-NSHDSACASA-N -1 0 324.385 -0.683 20 0 DBADRM CC(C)[C@@H](F)C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001377204589 990482424 /nfs/dbraw/zinc/48/24/24/990482424.db2.gz RCEYCPAVBTUSML-VXNVDRBHSA-N -1 0 317.321 -0.696 20 0 DBADRM CCN(CCNC(=O)c1ccn(CC)n1)Cc1n[nH]c(=O)[n-]1 ZINC001377338949 990537306 /nfs/dbraw/zinc/53/73/06/990537306.db2.gz LFNDBCQEIWXGKY-UHFFFAOYSA-N -1 0 307.358 -0.021 20 0 DBADRM Cc1ncn(C)c1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001377534359 990644851 /nfs/dbraw/zinc/64/48/51/990644851.db2.gz IEODYYUWHABKBH-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@]12CCC(=O)N1[C@H](C(=O)N1CC[C@H](c3nnn[n-]3)C1)CS2 ZINC001548499697 1015577763 /nfs/dbraw/zinc/57/77/63/1015577763.db2.gz OTZXQDBLWNCOPD-RVBZMBCESA-N -1 0 322.394 -0.030 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCC(=O)N[C@H]2c2ccnn2C)c1[O-] ZINC001548531229 1015582723 /nfs/dbraw/zinc/58/27/23/1015582723.db2.gz OFNIHEOONLQNKT-GZMMTYOYSA-N -1 0 318.337 -0.093 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCC(=O)N[C@@H]2c2ccnn2C)c1[O-] ZINC001548531230 1015582831 /nfs/dbraw/zinc/58/28/31/1015582831.db2.gz OFNIHEOONLQNKT-KCJUWKMLSA-N -1 0 318.337 -0.093 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCC(=O)N[C@@H]2c2ccnn2C)c1[O-] ZINC001548531231 1015583514 /nfs/dbraw/zinc/58/35/14/1015583514.db2.gz OFNIHEOONLQNKT-KWQFWETISA-N -1 0 318.337 -0.093 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001377852845 990758235 /nfs/dbraw/zinc/75/82/35/990758235.db2.gz QRAZMIDQBHVOSM-BQBZGAKWSA-N -1 0 309.326 -0.437 20 0 DBADRM CC[C@H](OC)C(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001377866918 990765035 /nfs/dbraw/zinc/76/50/35/990765035.db2.gz CYZVODLUKIDMNC-LBPRGKRZSA-N -1 0 319.365 -0.252 20 0 DBADRM Cc1ccnn1CC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378003307 990824171 /nfs/dbraw/zinc/82/41/71/990824171.db2.gz ZZZPEHAHTFKAAH-UHFFFAOYSA-N -1 0 305.342 -0.737 20 0 DBADRM CN(CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C(=O)C1CC1 ZINC001378111817 990859635 /nfs/dbraw/zinc/85/96/35/990859635.db2.gz ZSBBDQXFBIKWKP-SNVBAGLBSA-N -1 0 322.369 -0.931 20 0 DBADRM CCCn1cc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001378171625 990873410 /nfs/dbraw/zinc/87/34/10/990873410.db2.gz JAZQHSDARKEKFZ-VIFPVBQESA-N -1 0 322.373 -0.238 20 0 DBADRM COC[C@H](OC)C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378539427 991022269 /nfs/dbraw/zinc/02/22/69/991022269.db2.gz MWPRBUDLUFNHOR-SCZZXKLOSA-N -1 0 313.358 -0.892 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378539424 991022749 /nfs/dbraw/zinc/02/27/49/991022749.db2.gz MWPRBUDLUFNHOR-PSASIEDQSA-N -1 0 313.358 -0.892 20 0 DBADRM CC[C@@H](OC)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001378637791 991076276 /nfs/dbraw/zinc/07/62/76/991076276.db2.gz DDZVDABFEHIIAP-NXEZZACHSA-N -1 0 313.358 -0.748 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)Cc3cc[nH]n3)CC2)c1[O-] ZINC001378741277 991139110 /nfs/dbraw/zinc/13/91/10/991139110.db2.gz CLQFMZISZXZKDA-UHFFFAOYSA-N -1 0 318.337 -0.232 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CC[N@H+](C)CCNC(=O)C2CC2)c1[O-] ZINC001379037240 991292597 /nfs/dbraw/zinc/29/25/97/991292597.db2.gz JOQGPNVINBCPRJ-UHFFFAOYSA-N -1 0 323.397 -0.046 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001379101801 991334088 /nfs/dbraw/zinc/33/40/88/991334088.db2.gz WVYXPSIZNOCEEJ-ZJUUUORDSA-N -1 0 324.385 -0.698 20 0 DBADRM CN(CCN(C)C(=O)COc1cccnc1)Cc1n[nH]c(=O)[n-]1 ZINC001379104919 991335698 /nfs/dbraw/zinc/33/56/98/991335698.db2.gz CLMDCKKCDKHHOS-UHFFFAOYSA-N -1 0 320.353 -0.126 20 0 DBADRM CCOC(=O)[C@H](CO)NC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001596533978 1017158089 /nfs/dbraw/zinc/15/80/89/1017158089.db2.gz DKRUFAXMQFTXHS-JTQLQIEISA-N -1 0 313.310 -0.598 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001379444211 991676097 /nfs/dbraw/zinc/67/60/97/991676097.db2.gz YIOHMQMDHBGSQW-WHOHXGKFSA-N -1 0 323.397 -0.097 20 0 DBADRM CC(C)C(=O)N[C@]1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001379610235 991818873 /nfs/dbraw/zinc/81/88/73/991818873.db2.gz SWRHKBCFHJJOJG-CYBMUJFWSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@@]1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(C(=O)C2CCC2)C1 ZINC001379719981 991863683 /nfs/dbraw/zinc/86/36/83/991863683.db2.gz FHNSODFQFOMPAK-CQSZACIVSA-N -1 0 323.353 -0.403 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C)/C=C\C(=O)[O-] ZINC001596575591 1017160017 /nfs/dbraw/zinc/16/00/17/1017160017.db2.gz FOHCMZZJECIFHF-QTPDZXDFSA-N -1 0 320.367 -0.122 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)CCC1 ZINC001596563461 1017160029 /nfs/dbraw/zinc/16/00/29/1017160029.db2.gz RQBNVGCYBYUKMT-LLVKDONJSA-N -1 0 321.351 -0.365 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001379957960 992058883 /nfs/dbraw/zinc/05/88/83/992058883.db2.gz DDIFUBHZBSCJSU-GMTAPVOTSA-N -1 0 311.386 -0.193 20 0 DBADRM CCOC(=O)[C@@H]1CN([C@H](C)C(=O)NCC(=O)[O-])CC12COC2 ZINC001596586004 1017160177 /nfs/dbraw/zinc/16/01/77/1017160177.db2.gz WHDJZUIQYYCPKV-ZJUUUORDSA-N -1 0 314.338 -0.913 20 0 DBADRM O=C(CO[C@@H]1CCOC1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001380084040 992127493 /nfs/dbraw/zinc/12/74/93/992127493.db2.gz MJGKWHUJGKIXGE-SECBINFHSA-N -1 0 311.342 -0.946 20 0 DBADRM C[C@@H](OCC1CC1)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380214259 992200539 /nfs/dbraw/zinc/20/05/39/992200539.db2.gz FZQXBLJWDVRENL-SECBINFHSA-N -1 0 309.370 -0.032 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001380311924 992250041 /nfs/dbraw/zinc/25/00/41/992250041.db2.gz PJJDWVVADZHOLJ-SECBINFHSA-N -1 0 324.385 -0.508 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCO[C@H]1c1ccnn1C ZINC001549135944 1015706190 /nfs/dbraw/zinc/70/61/90/1015706190.db2.gz KOUYDUOZQARCGD-BXKDBHETSA-N -1 0 311.342 -0.383 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(CCC[C@@H](C)O)C2)c1[O-] ZINC001380584963 992415689 /nfs/dbraw/zinc/41/56/89/992415689.db2.gz DNMZQWFSAZJQGX-SECBINFHSA-N -1 0 312.370 -0.639 20 0 DBADRM CC1(C)CC(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001380587802 992417827 /nfs/dbraw/zinc/41/78/27/992417827.db2.gz FBCAHSHUGYISFO-UHFFFAOYSA-N -1 0 309.370 -0.391 20 0 DBADRM Cc1cnc(CN2CC(O)(CNC(=O)c3[nH]nc(C)c3[O-])C2)o1 ZINC001380587123 992418329 /nfs/dbraw/zinc/41/83/29/992418329.db2.gz NZRSDKXIQKWREQ-UHFFFAOYSA-N -1 0 321.337 -0.303 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(S(=O)(=O)N1CCCCC1)C2 ZINC001549181349 1015710413 /nfs/dbraw/zinc/71/04/13/1015710413.db2.gz WAQAIHPFKRMJET-CMPLNLGQSA-N -1 0 304.368 -0.250 20 0 DBADRM COC[C@H](C)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001380698683 992481050 /nfs/dbraw/zinc/48/10/50/992481050.db2.gz CHJXENKXUOQGAN-GARJFASQSA-N -1 0 309.370 -0.317 20 0 DBADRM Cc1ccn(CC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)c(=O)c1 ZINC001549219773 1015712091 /nfs/dbraw/zinc/71/20/91/1015712091.db2.gz CPJNNVPOVIRLQP-ABAIWWIYSA-N -1 0 306.318 -0.284 20 0 DBADRM CC(C)(C)n1nnc(C(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC001549230480 1015712575 /nfs/dbraw/zinc/71/25/75/1015712575.db2.gz WXEJJSCQCUGUNP-ISVAXAHUSA-N -1 0 309.326 -0.399 20 0 DBADRM Cc1n[nH]c(=O)c(C(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)c1C ZINC001549229211 1015712974 /nfs/dbraw/zinc/71/29/74/1015712974.db2.gz JUEMQSVQCPRHIR-LKFCYVNXSA-N -1 0 307.306 -0.028 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)C(C)(C)C ZINC001380840513 992558482 /nfs/dbraw/zinc/55/84/82/992558482.db2.gz DURXOXRAXHHBQO-QMMMGPOBSA-N -1 0 313.358 -0.302 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)C(C)(C)C ZINC001380840510 992558768 /nfs/dbraw/zinc/55/87/68/992558768.db2.gz DURXOXRAXHHBQO-MRVPVSSYSA-N -1 0 313.358 -0.302 20 0 DBADRM C[C@H](O)CNc1cc(N2C[C@H]3COC[C@]3(C(=O)[O-])C2)ncn1 ZINC001549296972 1015718054 /nfs/dbraw/zinc/71/80/54/1015718054.db2.gz COQUUIKKKTTZAV-PKFCDNJMSA-N -1 0 308.338 -0.193 20 0 DBADRM CCOC(=O)C[C@@H](O)CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001596593817 1017162613 /nfs/dbraw/zinc/16/26/13/1017162613.db2.gz BKGRYSVRJSDLEY-AMIZOPFISA-N -1 0 316.310 -0.524 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(c1cncc(-n3cncn3)n1)C2 ZINC001549296651 1015718462 /nfs/dbraw/zinc/71/84/62/1015718462.db2.gz BPEXJMHUCPMIDH-ZANVPECISA-N -1 0 302.294 -0.405 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)c1ccnc3c1CC(=O)N3)C2 ZINC001549306183 1015722346 /nfs/dbraw/zinc/72/23/46/1015722346.db2.gz QFXBEDMMNFEJJZ-VXJOIVPMSA-N -1 0 317.301 -0.251 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001596595568 1017162662 /nfs/dbraw/zinc/16/26/62/1017162662.db2.gz UPYOIOHKMRZYIA-VXGBXAGGSA-N -1 0 324.333 -0.245 20 0 DBADRM NC(=O)c1ccc(C(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC001549305502 1015722546 /nfs/dbraw/zinc/72/25/46/1015722546.db2.gz JMDQDMSIKCDVTI-XHDPSFHLSA-N -1 0 304.302 -0.041 20 0 DBADRM CCOC(=O)CCCNC(=O)Cn1nc(C(=O)[O-])ccc1=O ZINC001596603670 1017162679 /nfs/dbraw/zinc/16/26/79/1017162679.db2.gz OAIIXEMURWJBID-UHFFFAOYSA-N -1 0 311.294 -0.599 20 0 DBADRM CCOC1CC(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001381082801 992654535 /nfs/dbraw/zinc/65/45/35/992654535.db2.gz KGIAKDIKVSEZPO-UHFFFAOYSA-N -1 0 309.370 -0.030 20 0 DBADRM C[C@@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)n1cncn1 ZINC001381079057 992656486 /nfs/dbraw/zinc/65/64/86/992656486.db2.gz NUODIIFANMOXCR-VIFPVBQESA-N -1 0 306.330 -0.993 20 0 DBADRM CCOC(=O)CN(C)C(=O)COC(=O)c1cnccc1C(=O)[O-] ZINC001596616296 1017162736 /nfs/dbraw/zinc/16/27/36/1017162736.db2.gz WMNIYTYHQWAHMC-UHFFFAOYSA-N -1 0 324.289 -0.042 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C(C)(C)C1 ZINC001381270916 992740124 /nfs/dbraw/zinc/74/01/24/992740124.db2.gz DDLYDCDUZCIEFA-JTQLQIEISA-N -1 0 323.353 -0.412 20 0 DBADRM CCn1nncc1C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381517657 992824320 /nfs/dbraw/zinc/82/43/20/992824320.db2.gz SKMVIQROINYIHX-MRVPVSSYSA-N -1 0 308.346 -0.628 20 0 DBADRM C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381530912 992828462 /nfs/dbraw/zinc/82/84/62/992828462.db2.gz AELUEAMTMJJILG-ZETCQYMHSA-N -1 0 307.314 -0.744 20 0 DBADRM C[C@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)N(C)[C@H](C)C(N)=O ZINC001381607865 992848921 /nfs/dbraw/zinc/84/89/21/992848921.db2.gz KXVALIXSJODIPI-HTQZYQBOSA-N -1 0 321.337 -0.148 20 0 DBADRM CC(C)OCC(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001492210287 1015738156 /nfs/dbraw/zinc/73/81/56/1015738156.db2.gz ZPWZELOSPCYHRV-UHFFFAOYSA-N -1 0 321.381 -0.004 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc(F)c[nH]1 ZINC001381656343 992858466 /nfs/dbraw/zinc/85/84/66/992858466.db2.gz GHFDVGWFVLFTIY-UHFFFAOYSA-N -1 0 324.316 -0.656 20 0 DBADRM CC1(C)CC[C@H]1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381680348 992865668 /nfs/dbraw/zinc/86/56/68/992865668.db2.gz FEUHBGMDSKYYEU-JTQLQIEISA-N -1 0 323.397 -0.001 20 0 DBADRM Cc1ccnn1CC(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381810859 992887521 /nfs/dbraw/zinc/88/75/21/992887521.db2.gz WZYCEPDVDQVYST-JTQLQIEISA-N -1 0 319.369 -0.348 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)Cc2ncc[nH]2)c1[O-] ZINC001381950375 992934457 /nfs/dbraw/zinc/93/44/57/992934457.db2.gz UPRCKGFLRCHDIF-QMMMGPOBSA-N -1 0 320.353 -0.034 20 0 DBADRM Cc1conc1CN[C@H](C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001382154172 993008333 /nfs/dbraw/zinc/00/83/33/993008333.db2.gz UVQCIYXKWRQFCT-SECBINFHSA-N -1 0 324.341 -0.378 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001596595139 1017162976 /nfs/dbraw/zinc/16/29/76/1017162976.db2.gz QOKXIVDQOSLJGW-MNOVXSKESA-N -1 0 310.306 -0.492 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN[C@](CC)(COC)C(=O)[O-] ZINC001596616214 1017163020 /nfs/dbraw/zinc/16/30/20/1017163020.db2.gz UAHPWHMEZQYNFQ-CYBMUJFWSA-N -1 0 304.343 -0.523 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2nccc(C)n2)c1[O-] ZINC001382200802 993047725 /nfs/dbraw/zinc/04/77/25/993047725.db2.gz SIXMFZQGAHYSEN-JTQLQIEISA-N -1 0 320.353 -0.597 20 0 DBADRM C[C@@H](C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccco1 ZINC001382242025 993082341 /nfs/dbraw/zinc/08/23/41/993082341.db2.gz DECROGUIADAXDN-BDAKNGLRSA-N -1 0 309.326 -0.526 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)C2CCCC2)c1[O-] ZINC001382273447 993113629 /nfs/dbraw/zinc/11/36/29/993113629.db2.gz OKXUTQNIXFQBFN-SNVBAGLBSA-N -1 0 310.354 -0.179 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001596607952 1017163230 /nfs/dbraw/zinc/16/32/30/1017163230.db2.gz YDWUGHGRUZTRTK-SCZZXKLOSA-N -1 0 309.340 -0.509 20 0 DBADRM Cn1nccc1[C@@H]1OCC[C@H]1NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001549716612 1015760935 /nfs/dbraw/zinc/76/09/35/1015760935.db2.gz RPQNCASDRLZOEP-ZWNOBZJWSA-N -1 0 319.321 -0.039 20 0 DBADRM CN(CCNC(=O)c1c(C2CC2)cnn1C)Cc1n[nH]c(=O)[n-]1 ZINC001492272633 1015761637 /nfs/dbraw/zinc/76/16/37/1015761637.db2.gz RMTUSAKNKCWBQC-UHFFFAOYSA-N -1 0 319.369 -0.017 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN[C@@H](C(=O)[O-])c1ccnn1C ZINC001596615747 1017163334 /nfs/dbraw/zinc/16/33/34/1017163334.db2.gz FEWNAEATHGEVIR-GFCCVEGCSA-N -1 0 312.326 -0.843 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001596613914 1017163412 /nfs/dbraw/zinc/16/34/12/1017163412.db2.gz QNRHILSRNAFBAZ-GFCCVEGCSA-N -1 0 323.367 -0.117 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC23CCC3)c1[O-] ZINC001382391358 993198966 /nfs/dbraw/zinc/19/89/66/993198966.db2.gz KOMXRTATZLRUJO-UWVGGRQHSA-N -1 0 322.365 -0.179 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC23CCC3)c1[O-] ZINC001382391361 993200035 /nfs/dbraw/zinc/20/00/35/993200035.db2.gz KOMXRTATZLRUJO-VHSXEESVSA-N -1 0 322.365 -0.179 20 0 DBADRM Cc1nc(C(=O)N(C)C[C@@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)c[nH]1 ZINC001382450308 993272536 /nfs/dbraw/zinc/27/25/36/993272536.db2.gz LMBOEKIOQJEQGI-VIFPVBQESA-N -1 0 323.357 -0.893 20 0 DBADRM CN(CCNC(=O)c1cnn2c1OCCC2)Cc1n[nH]c(=O)[n-]1 ZINC001492321744 1015775566 /nfs/dbraw/zinc/77/55/66/1015775566.db2.gz SOZGDCVGGSUHSN-UHFFFAOYSA-N -1 0 321.341 -0.649 20 0 DBADRM CCOC(=O)N(C)CCCC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001596640082 1017164492 /nfs/dbraw/zinc/16/44/92/1017164492.db2.gz KEZQSNJLPHEFRN-ZDUSSCGKSA-N -1 0 302.327 -0.097 20 0 DBADRM CC(=O)N[C@@H](C)[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001382697555 993402542 /nfs/dbraw/zinc/40/25/42/993402542.db2.gz ACIBACNPVZYDPT-YUMQZZPRSA-N -1 0 306.326 -0.900 20 0 DBADRM CN(CCNC(=O)c1cc(Cl)n(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001492330493 1015780135 /nfs/dbraw/zinc/78/01/35/1015780135.db2.gz JWVYLLPIPDVELG-UHFFFAOYSA-N -1 0 313.749 -0.241 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H](C)NC(=O)C1=CCCC1 ZINC001382770352 993419660 /nfs/dbraw/zinc/41/96/60/993419660.db2.gz RHUZBVAHQKDVBS-RKDXNWHRSA-N -1 0 323.353 -0.191 20 0 DBADRM C[C@H](CNC(=O)C1(C)CC1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001382980934 993480886 /nfs/dbraw/zinc/48/08/86/993480886.db2.gz DMAALDYFIWJSNX-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)c2cnn(C)n2)c1[O-] ZINC001383042342 993507180 /nfs/dbraw/zinc/50/71/80/993507180.db2.gz NTANRNJEKSQCPB-SSDOTTSWSA-N -1 0 321.341 -0.557 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C3CC(O)C3)CC2)C1 ZINC001550341093 1015802932 /nfs/dbraw/zinc/80/29/32/1015802932.db2.gz JUYWPWGHGIYTLA-YZRBJQDESA-N -1 0 310.350 -0.319 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001383785294 993745001 /nfs/dbraw/zinc/74/50/01/993745001.db2.gz RLJHZONVPOXVST-CIUDSAMLSA-N -1 0 311.342 -0.692 20 0 DBADRM CC[C@H](F)C(=O)N(C)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001492445581 1015805601 /nfs/dbraw/zinc/80/56/01/1015805601.db2.gz MRVNFJSADAMJGR-ZETCQYMHSA-N -1 0 315.305 -0.391 20 0 DBADRM CC[C@@H](F)C(=O)N(C)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001492445579 1015806456 /nfs/dbraw/zinc/80/64/56/1015806456.db2.gz MRVNFJSADAMJGR-SSDOTTSWSA-N -1 0 315.305 -0.391 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)CC(F)(F)F)c1[O-] ZINC001383915735 993837228 /nfs/dbraw/zinc/83/72/28/993837228.db2.gz ZTOYIMNUIIXEDZ-LURJTMIESA-N -1 0 324.259 -0.417 20 0 DBADRM CCC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001383948848 993858843 /nfs/dbraw/zinc/85/88/43/993858843.db2.gz OLLDYXOLUYMIOY-IUCAKERBSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[n-]ncc2=O)C[C@H]1C(=O)N1CCOCC1 ZINC001550832829 1015814312 /nfs/dbraw/zinc/81/43/12/1015814312.db2.gz OSXXARBDNRIMJW-ZYHUDNBSSA-N -1 0 320.349 -0.251 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H]2C[C@@H]2C)c1[O-] ZINC001384231045 994044517 /nfs/dbraw/zinc/04/45/17/994044517.db2.gz SRRSMIDZCPQFEG-SFGNSQDASA-N -1 0 310.354 -0.371 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]2CC23CC3)c1[O-] ZINC001384277113 994079370 /nfs/dbraw/zinc/07/93/70/994079370.db2.gz YJSZGMMAEQTYJU-ZJUUUORDSA-N -1 0 322.365 -0.227 20 0 DBADRM CCCC(=O)NC[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001384437508 994139644 /nfs/dbraw/zinc/13/96/44/994139644.db2.gz VRLIDMZXBHAVGV-DTORHVGOSA-N -1 0 311.342 -0.500 20 0 DBADRM CO[C@@H]1CCCCN(CC(=O)NCCc2nc(=O)o[n-]2)C1=O ZINC001552125083 1015841668 /nfs/dbraw/zinc/84/16/68/1015841668.db2.gz HRGCDTRTJNKZSP-SECBINFHSA-N -1 0 312.326 -0.951 20 0 DBADRM O=C(NCC1(NC(=O)[C@@H]2CC23CC3)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001400624452 994261843 /nfs/dbraw/zinc/26/18/43/994261843.db2.gz GPAWVGIZGYUTNV-ZETCQYMHSA-N -1 0 319.321 -0.539 20 0 DBADRM CC1(C(=O)NC2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)CC1 ZINC001400638751 994269445 /nfs/dbraw/zinc/26/94/45/994269445.db2.gz DPLNRVDMXDNEPM-UHFFFAOYSA-N -1 0 309.326 -0.746 20 0 DBADRM O=C(CCN1CCCC1=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400640299 994272398 /nfs/dbraw/zinc/27/23/98/994272398.db2.gz PBPXCCDEHDZGRV-JTQLQIEISA-N -1 0 322.369 -0.787 20 0 DBADRM CO[C@@H]1CCCCN(CC(=O)N(C)Cc2n[n-]c(=O)o2)C1=O ZINC001552235680 1015850772 /nfs/dbraw/zinc/85/07/72/1015850772.db2.gz YPUXHLXAUVODHG-SECBINFHSA-N -1 0 312.326 -0.239 20 0 DBADRM CC(=O)NC[C@H]1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001384911941 994308815 /nfs/dbraw/zinc/30/88/15/994308815.db2.gz JWKFRUVWZBZYNY-AOOOYVTPSA-N -1 0 311.342 -0.500 20 0 DBADRM CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001384955982 994327216 /nfs/dbraw/zinc/32/72/16/994327216.db2.gz SZUZLWGDPINPQR-VGMNWLOBSA-N -1 0 321.337 -0.055 20 0 DBADRM COC[C@@H](OC)C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001493134840 1015854778 /nfs/dbraw/zinc/85/47/78/1015854778.db2.gz FZNFRMBVCFVGOB-NXEZZACHSA-N -1 0 313.358 -0.748 20 0 DBADRM CCc1nncn1CCNC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001552401275 1015857649 /nfs/dbraw/zinc/85/76/49/1015857649.db2.gz GNKYVHXOUQMDMB-IINYFYTJSA-N -1 0 323.353 -0.417 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001552401398 1015857674 /nfs/dbraw/zinc/85/76/74/1015857674.db2.gz JZNLWEDBXPZUIG-VDDIYKPWSA-N -1 0 320.367 -0.838 20 0 DBADRM CN1C[C@H](NC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)CCC1=O ZINC001552398353 1015857779 /nfs/dbraw/zinc/85/77/79/1015857779.db2.gz GZGGUPWEPLIIME-RULNRJAQSA-N -1 0 311.338 -0.650 20 0 DBADRM Cn1cc(CCNC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)cn1 ZINC001552404160 1015857873 /nfs/dbraw/zinc/85/78/73/1015857873.db2.gz USNNTEYFDVVOKD-RISCZKNCSA-N -1 0 308.338 -0.295 20 0 DBADRM NC(=O)c1ccc(NC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)cn1 ZINC001552377392 1015857973 /nfs/dbraw/zinc/85/79/73/1015857973.db2.gz NIALNBBFGZFSII-CLAHSXSESA-N -1 0 320.305 -0.255 20 0 DBADRM C[C@H](CNC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC001552403152 1015858010 /nfs/dbraw/zinc/85/80/10/1015858010.db2.gz MGULVKOKYPCORG-LNLATYFQSA-N -1 0 320.367 -0.838 20 0 DBADRM CC(=O)N1CC[C@@H](N(C)C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001385223278 994411888 /nfs/dbraw/zinc/41/18/88/994411888.db2.gz COQZNQJMNOEVFP-SECBINFHSA-N -1 0 309.326 -0.705 20 0 DBADRM CC(=O)NCC(=O)N(C)[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001385247070 994420305 /nfs/dbraw/zinc/42/03/05/994420305.db2.gz WYYJULJVXGTZGK-JTQLQIEISA-N -1 0 323.353 -0.767 20 0 DBADRM COCCOCC(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001493182822 1015863384 /nfs/dbraw/zinc/86/33/84/1015863384.db2.gz JNJGZZATTKHKTJ-SNVBAGLBSA-N -1 0 313.358 -0.889 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC001552584500 1015863920 /nfs/dbraw/zinc/86/39/20/1015863920.db2.gz UEDWEWKKKOAELR-COPLHBTASA-N -1 0 311.338 -0.650 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCCc1cncnc1)C2 ZINC001552655331 1015866226 /nfs/dbraw/zinc/86/62/26/1015866226.db2.gz RQBSYNTVKFRYED-BXUZGUMPSA-N -1 0 306.322 -0.238 20 0 DBADRM CCn1ncc(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001552655540 1015866239 /nfs/dbraw/zinc/86/62/39/1015866239.db2.gz WBEAGZIGNUFHKY-ZANVPECISA-N -1 0 309.326 -0.459 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001385546506 994527185 /nfs/dbraw/zinc/52/71/85/994527185.db2.gz DGDHJXVTNSOQNM-HTQZYQBOSA-N -1 0 309.326 -0.340 20 0 DBADRM CCn1[n-]nnc1=NC(=O)c1ccc(CN2CCOCC2)o1 ZINC001552949690 1015871748 /nfs/dbraw/zinc/87/17/48/1015871748.db2.gz GXIZHKNHLBJBLP-UHFFFAOYSA-N -1 0 306.326 -0.208 20 0 DBADRM CC(C)C(=O)NC[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001385672141 994589933 /nfs/dbraw/zinc/58/99/33/994589933.db2.gz JIVBXHMHDBEKSC-QMMMGPOBSA-N -1 0 309.326 -0.437 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNCc2cscn2)c1[O-] ZINC001401499823 994600236 /nfs/dbraw/zinc/60/02/36/994600236.db2.gz ADLNPWLHCDMEQC-SECBINFHSA-N -1 0 311.367 -0.239 20 0 DBADRM Cc1cc(CNC[C@@H](O)CNC(=O)c2[nH]nc(C)c2[O-])no1 ZINC001401509892 994613217 /nfs/dbraw/zinc/61/32/17/994613217.db2.gz KMTILJGPBUZCQW-SNVBAGLBSA-N -1 0 309.326 -0.399 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001385761005 994624211 /nfs/dbraw/zinc/62/42/11/994624211.db2.gz DDRLCQMTTHNMDB-XVYDVKMFSA-N -1 0 321.337 -0.437 20 0 DBADRM CCO[C@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])[C@@H]1CCOC1 ZINC001596767589 1017169902 /nfs/dbraw/zinc/16/99/02/1017169902.db2.gz OQVUORCOOWWICN-JLLWLGSASA-N -1 0 311.338 -0.037 20 0 DBADRM CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001385968174 994703530 /nfs/dbraw/zinc/70/35/30/994703530.db2.gz IDQLFNPQNPVHHS-DTORHVGOSA-N -1 0 308.338 -0.337 20 0 DBADRM CCCCC(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001386081352 994738748 /nfs/dbraw/zinc/73/87/48/994738748.db2.gz PTOKFQOPOZKTJL-GDGBQDQQSA-N -1 0 323.353 -0.548 20 0 DBADRM COCc1noc(CNC[C@H](C)NC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001401679977 994752572 /nfs/dbraw/zinc/75/25/72/994752572.db2.gz VBTVGUAPWUDFKP-ZETCQYMHSA-N -1 0 324.341 -0.139 20 0 DBADRM CC(C)CCC(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386160124 994775033 /nfs/dbraw/zinc/77/50/33/994775033.db2.gz OAFBEXZQUDDELC-QMMMGPOBSA-N -1 0 311.342 -0.047 20 0 DBADRM Cc1nnsc1C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001401730547 994785907 /nfs/dbraw/zinc/78/59/07/994785907.db2.gz MKKSXBQDSOJDCT-ZCFIWIBFSA-N -1 0 311.371 -0.079 20 0 DBADRM CCC(CC)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386182671 994788649 /nfs/dbraw/zinc/78/86/49/994788649.db2.gz VXGUJAOBCMDZRO-SSDOTTSWSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CN1CCCC1=O ZINC001401739688 994790634 /nfs/dbraw/zinc/79/06/34/994790634.db2.gz ZZWIQZCXOHDHPJ-VIFPVBQESA-N -1 0 310.358 -0.931 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2ncn(C)n2)c1[O-] ZINC001386231618 994815635 /nfs/dbraw/zinc/81/56/35/994815635.db2.gz XNVGZWAMBLTYCI-LURJTMIESA-N -1 0 307.314 -0.899 20 0 DBADRM CC(=O)N1CC(C(=O)NC[C@H](C)NC(=O)c2ncccc2O)C1 ZINC001386235520 994816832 /nfs/dbraw/zinc/81/68/32/994816832.db2.gz MLLJFKIPURLTNO-VIFPVBQESA-N -1 0 320.349 -0.500 20 0 DBADRM CC[C@H](F)C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001386345848 994871796 /nfs/dbraw/zinc/87/17/96/994871796.db2.gz KZTGCQXCTFOKPI-XVMARJQXSA-N -1 0 313.289 -0.592 20 0 DBADRM CN(C(=O)CNC(=O)C(C)(C)C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402033831 994889959 /nfs/dbraw/zinc/88/99/59/994889959.db2.gz PVXLZQKSYXFYQN-UHFFFAOYSA-N -1 0 324.385 -0.685 20 0 DBADRM COC[C@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001386496461 994932586 /nfs/dbraw/zinc/93/25/86/994932586.db2.gz RLVAYLFZOFYIKL-CPOMMVLXSA-N -1 0 322.365 -0.107 20 0 DBADRM CCN1C(=O)CO[C@@H](C(=O)[N-]OCCF)[C@H]1c1nccn1C ZINC001553622882 1015902314 /nfs/dbraw/zinc/90/23/14/1015902314.db2.gz BMHSQTAPBBJFEK-WDEREUQCSA-N -1 0 314.317 -0.274 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001386570924 994971176 /nfs/dbraw/zinc/97/11/76/994971176.db2.gz ODPHDZDEVVXMKW-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM Cn1ccc(CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)n1 ZINC001556067429 1015908908 /nfs/dbraw/zinc/90/89/08/1015908908.db2.gz YLMCYTDSNRJWOF-UHFFFAOYSA-N -1 0 314.305 -0.070 20 0 DBADRM CC(C)SCC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402301779 995057359 /nfs/dbraw/zinc/05/73/59/995057359.db2.gz PRKGMCFAIKCJAV-UHFFFAOYSA-N -1 0 315.399 -0.685 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(F)F ZINC001386767088 995078833 /nfs/dbraw/zinc/07/88/33/995078833.db2.gz MYMSLJRLDQPBLE-RXMQYKEDSA-N -1 0 319.268 -0.437 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@]23C[C@H]2COC3)c1[O-] ZINC001386849214 995128147 /nfs/dbraw/zinc/12/81/47/995128147.db2.gz DJIKVOFWHVUEGX-XPTSAGLGSA-N -1 0 308.338 -0.352 20 0 DBADRM O=C(N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)C(F)F ZINC001402429630 995131443 /nfs/dbraw/zinc/13/14/43/995131443.db2.gz CMCJNHQOXULINH-LLVKDONJSA-N -1 0 305.285 -0.782 20 0 DBADRM O=C(CC1CC1)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402433413 995133086 /nfs/dbraw/zinc/13/30/86/995133086.db2.gz AHYIPZDAHYSHQS-CQSZACIVSA-N -1 0 309.370 -0.247 20 0 DBADRM O=C(CC1CC1)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402433412 995133613 /nfs/dbraw/zinc/13/36/13/995133613.db2.gz AHYIPZDAHYSHQS-AWEZNQCLSA-N -1 0 309.370 -0.247 20 0 DBADRM C[C@@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)C1(C)CC1 ZINC001386920942 995174758 /nfs/dbraw/zinc/17/47/58/995174758.db2.gz MKGGBPZVGMPMRQ-QMMMGPOBSA-N -1 0 323.353 -0.364 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)CC(C)(F)F ZINC001387016628 995216671 /nfs/dbraw/zinc/21/66/71/995216671.db2.gz XXILHKNVKUISHI-UHFFFAOYSA-N -1 0 319.268 -0.484 20 0 DBADRM C[C@H](CNC(=O)CCCF)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387029412 995221953 /nfs/dbraw/zinc/22/19/53/995221953.db2.gz ZWHQVYMKNBYDAR-SSDOTTSWSA-N -1 0 303.294 -0.940 20 0 DBADRM CC(C)[C@H](F)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387035438 995225129 /nfs/dbraw/zinc/22/51/29/995225129.db2.gz KKIAOAOFFKDFQD-RQJHMYQMSA-N -1 0 315.305 -0.489 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]O[C@@H](CO)C(C)C ZINC001556736707 1015933416 /nfs/dbraw/zinc/93/34/16/1015933416.db2.gz LRPKIHJDNASLNQ-NEPJUHHUSA-N -1 0 315.370 -0.822 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@H]1CC12CC2 ZINC001387264338 995308726 /nfs/dbraw/zinc/30/87/26/995308726.db2.gz YNWNZTSUHHSEOR-SECBINFHSA-N -1 0 323.353 -0.546 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H](CNC(=O)C1CC1)C1CC1 ZINC001493450077 1015935967 /nfs/dbraw/zinc/93/59/67/1015935967.db2.gz RYXZNYMMUGGSON-SECBINFHSA-N -1 0 309.326 -0.890 20 0 DBADRM CC(=O)N1CCC[C@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001387366113 995334127 /nfs/dbraw/zinc/33/41/27/995334127.db2.gz PAZBZAODRKQFBP-VIFPVBQESA-N -1 0 309.326 -0.658 20 0 DBADRM CCCC(=O)NC[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001493454350 1015937246 /nfs/dbraw/zinc/93/72/46/1015937246.db2.gz HXLGPAJBYACQEQ-MRVPVSSYSA-N -1 0 309.326 -0.293 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCN(C(=O)C1CC1)C1CC1 ZINC001387510832 995370717 /nfs/dbraw/zinc/37/07/17/995370717.db2.gz BUQBVZWGTJGUMU-UHFFFAOYSA-N -1 0 309.326 -0.794 20 0 DBADRM CC(C)CCC(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387626338 995396932 /nfs/dbraw/zinc/39/69/32/995396932.db2.gz UHMUSOLTEUMPPR-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM CN(CCNC(=O)CC1CCC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001387677772 995419619 /nfs/dbraw/zinc/41/96/19/995419619.db2.gz GKRQUQVHYICFFJ-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM C[C@@H](C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001387678229 995420102 /nfs/dbraw/zinc/42/01/02/995420102.db2.gz ZSEZRCAHUPBPRJ-SSDOTTSWSA-N -1 0 309.326 -0.483 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1cscn1 ZINC001403147269 995423945 /nfs/dbraw/zinc/42/39/45/995423945.db2.gz SXUQRHQJALTBOO-SSDOTTSWSA-N -1 0 324.366 -0.010 20 0 DBADRM CN(CCNC(=O)[C@@H]1CC1(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387715767 995446095 /nfs/dbraw/zinc/44/60/95/995446095.db2.gz VJSOFSWTVBWGKG-YFKPBYRVSA-N -1 0 317.252 -0.874 20 0 DBADRM CCCCN1CC(CCO)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001403219293 995456185 /nfs/dbraw/zinc/45/61/85/995456185.db2.gz RMZSVUVNGBUDDC-UHFFFAOYSA-N -1 0 311.342 -0.751 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2cc3n(n2)CCC[C@H]3O)C(=O)N1C ZINC001557578963 1015952411 /nfs/dbraw/zinc/95/24/11/1015952411.db2.gz XSQUWEPNPOJGJH-GMSGAONNSA-N -1 0 307.310 -0.362 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)ccn1 ZINC001557578214 1015951907 /nfs/dbraw/zinc/95/19/07/1015951907.db2.gz SXWQFPHKTYXYBI-SSDOTTSWSA-N -1 0 306.278 -0.205 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2cc3n(n2)CCC[C@@H]3O)C(=O)N1C ZINC001557579298 1015952931 /nfs/dbraw/zinc/95/29/31/1015952931.db2.gz XSQUWEPNPOJGJH-XCBNKYQSSA-N -1 0 307.310 -0.362 20 0 DBADRM Cc1nn[nH]c1C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001387950541 995555108 /nfs/dbraw/zinc/55/51/08/995555108.db2.gz QEBDHWNCIREEHB-UHFFFAOYSA-N -1 0 307.314 -0.648 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)Cc2nnnn2C2CC2)c1[O-] ZINC001403545531 995565403 /nfs/dbraw/zinc/56/54/03/995565403.db2.gz SAIQHGSUWZBCMM-UHFFFAOYSA-N -1 0 320.357 -0.393 20 0 DBADRM CCn1c2ccc(C(=O)N(C)c3nnn[n-]3)cc2[nH]c(=O)c1=O ZINC001557697777 1015954951 /nfs/dbraw/zinc/95/49/51/1015954951.db2.gz SBGMFSJTWFDPQQ-UHFFFAOYSA-N -1 0 315.293 -0.501 20 0 DBADRM CC[C@H](CNC(=O)c1cnnn1C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001388054763 995591571 /nfs/dbraw/zinc/59/15/71/995591571.db2.gz DGKVAXMVQJIPQX-MRVPVSSYSA-N -1 0 321.341 -0.509 20 0 DBADRM CCC1(C(=O)NCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001388057797 995591919 /nfs/dbraw/zinc/59/19/19/995591919.db2.gz GXYPWGPDVHDWNC-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM Cc1nc(CN[C@@H](C)CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001403634485 995605324 /nfs/dbraw/zinc/60/53/24/995605324.db2.gz RZNUUWDTBLHTQX-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM CCC(=O)N[C@H](CC)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001388108097 995607322 /nfs/dbraw/zinc/60/73/22/995607322.db2.gz HAWBDRHCGCXRHW-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)N[C@@H](C)c2cnccn2)c1[O-] ZINC001403640534 995609506 /nfs/dbraw/zinc/60/95/06/995609506.db2.gz HJBPYBLOSZYGKC-WCBMZHEXSA-N -1 0 320.353 -0.345 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001388129274 995613728 /nfs/dbraw/zinc/61/37/28/995613728.db2.gz CYJCZWRPLBGLDW-RNJXMRFFSA-N -1 0 309.326 -0.437 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC(C)C ZINC001388131835 995614272 /nfs/dbraw/zinc/61/42/72/995614272.db2.gz LDKOQKHQHCAXAG-QMMMGPOBSA-N -1 0 311.342 -0.047 20 0 DBADRM CCc1ccnc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001403654927 995619972 /nfs/dbraw/zinc/61/99/72/995619972.db2.gz AEYOXJDDCNEUNM-JTQLQIEISA-N -1 0 320.353 -0.652 20 0 DBADRM C[C@H](CC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1)n1ccnc1 ZINC001403707209 995663171 /nfs/dbraw/zinc/66/31/71/995663171.db2.gz STHMZYVVIWBYIQ-SNVBAGLBSA-N -1 0 307.358 -0.094 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C1(C(F)(F)F)CC1 ZINC001403721813 995673871 /nfs/dbraw/zinc/67/38/71/995673871.db2.gz UBABJFGBYLWJLD-ZCFIWIBFSA-N -1 0 323.275 -0.581 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC001403773961 995698690 /nfs/dbraw/zinc/69/86/90/995698690.db2.gz CUEFQMGECPTFKH-ONGXEEELSA-N -1 0 324.385 -0.542 20 0 DBADRM CCN(CCNC(=O)c1nnn(C)c1C)Cc1n[nH]c(=O)[n-]1 ZINC001403842639 995725887 /nfs/dbraw/zinc/72/58/87/995725887.db2.gz JREBKOOUHZIQHP-UHFFFAOYSA-N -1 0 308.346 -0.801 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403858468 995736219 /nfs/dbraw/zinc/73/62/19/995736219.db2.gz JMXDVLRLLNCVEG-OUAUKWLOSA-N -1 0 311.386 -0.937 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)c1cccn1C ZINC001403884057 995754528 /nfs/dbraw/zinc/75/45/28/995754528.db2.gz FJXCGTKDYVEVKR-JTQLQIEISA-N -1 0 322.369 -0.586 20 0 DBADRM CC[C@@H](C)C(=O)N(C)CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388966190 995788490 /nfs/dbraw/zinc/78/84/90/995788490.db2.gz AFJPZIIHPWYJRM-SECBINFHSA-N -1 0 313.358 -0.348 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)Cn2cncn2)c1[O-] ZINC001388994179 995795907 /nfs/dbraw/zinc/79/59/07/995795907.db2.gz SSOANDYURFYXMU-UHFFFAOYSA-N -1 0 321.341 -0.754 20 0 DBADRM CO[C@@H](C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001404056643 995809535 /nfs/dbraw/zinc/80/95/35/995809535.db2.gz DFXIJOWRIPUFEA-BXKDBHETSA-N -1 0 309.370 -0.127 20 0 DBADRM CC(C)C(=O)NC[C@@H](O)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001389068332 995823467 /nfs/dbraw/zinc/82/34/67/995823467.db2.gz YRJQOZRHXPYPSQ-MRVPVSSYSA-N -1 0 322.321 -0.209 20 0 DBADRM CCCN(CCNC(=O)c1cn[nH]c(=O)c1)Cc1n[nH]c(=O)[n-]1 ZINC001404134298 995824971 /nfs/dbraw/zinc/82/49/71/995824971.db2.gz WGDCBFRXBQKLGA-UHFFFAOYSA-N -1 0 321.341 -0.352 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)CC(F)(F)F)c1[O-] ZINC001389076611 995830596 /nfs/dbraw/zinc/83/05/96/995830596.db2.gz RUVCHXFMGBJPEP-ZCFIWIBFSA-N -1 0 324.259 -0.417 20 0 DBADRM O=C(CCn1ccnc1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001404235050 995839037 /nfs/dbraw/zinc/83/90/37/995839037.db2.gz PMEVBTKMHLTSAG-UHFFFAOYSA-N -1 0 319.369 -0.122 20 0 DBADRM C[C@@H](CNC(=O)C1CC1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001404275667 995844556 /nfs/dbraw/zinc/84/45/56/995844556.db2.gz POVFNMCYYOCLNV-QMMMGPOBSA-N -1 0 308.338 -0.527 20 0 DBADRM CC(C)CC(=O)N(C)[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001404440559 995872689 /nfs/dbraw/zinc/87/26/89/995872689.db2.gz NHVBRYKBFCPLEI-VIFPVBQESA-N -1 0 313.358 -0.302 20 0 DBADRM CC(C)C(=O)N[C@@H](C)CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001389303525 995928207 /nfs/dbraw/zinc/92/82/07/995928207.db2.gz AUSXRZRGPLGKAR-QMMMGPOBSA-N -1 0 311.342 -0.508 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)Cn2ccnc2C)c1[O-] ZINC001389328003 995937604 /nfs/dbraw/zinc/93/76/04/995937604.db2.gz BENONHZXTRLCCC-QMMMGPOBSA-N -1 0 320.353 -0.137 20 0 DBADRM CC(C)[C@H](F)C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389361043 995953815 /nfs/dbraw/zinc/95/38/15/995953815.db2.gz HHGDRYZPYFWBDC-ZETCQYMHSA-N -1 0 313.289 -0.783 20 0 DBADRM O=C(CCc1nnc[nH]1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001389368092 995954517 /nfs/dbraw/zinc/95/45/17/995954517.db2.gz YFEHSDQKMQDTEZ-VIFPVBQESA-N -1 0 320.357 -0.658 20 0 DBADRM O=C(CCc1nnc[nH]1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001389368088 995954777 /nfs/dbraw/zinc/95/47/77/995954777.db2.gz YFEHSDQKMQDTEZ-SECBINFHSA-N -1 0 320.357 -0.658 20 0 DBADRM CC(C)[C@@H](C)C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389472705 996002733 /nfs/dbraw/zinc/00/27/33/996002733.db2.gz JHIFRNIOHDJNIK-SSDOTTSWSA-N -1 0 309.326 -0.485 20 0 DBADRM CCNC(=O)CCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001389505133 996016339 /nfs/dbraw/zinc/01/63/39/996016339.db2.gz HDVLQNMZEXUPFS-JTQLQIEISA-N -1 0 324.385 -0.493 20 0 DBADRM O=C(CC1CC1)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001389580728 996032282 /nfs/dbraw/zinc/03/22/82/996032282.db2.gz SVYNOXGYQKSLPG-VIFPVBQESA-N -1 0 309.326 -0.794 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001389640515 996055170 /nfs/dbraw/zinc/05/51/70/996055170.db2.gz XHYKCZBAMUCHPW-CBAPKCEASA-N -1 0 321.337 -0.340 20 0 DBADRM CCCCC(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389856101 996120893 /nfs/dbraw/zinc/12/08/93/996120893.db2.gz UXOPQAHKFMHFRG-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM CC(C)CC(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001389920263 996138813 /nfs/dbraw/zinc/13/88/13/996138813.db2.gz FODHZTNKZNVODG-UHFFFAOYSA-N -1 0 311.342 -0.500 20 0 DBADRM CC[C@@H](CNC(=O)C1CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001390166013 996195664 /nfs/dbraw/zinc/19/56/64/996195664.db2.gz SZTFLVQJAPNZFO-VIFPVBQESA-N -1 0 311.342 -0.500 20 0 DBADRM CN(CCNC(=O)[C@H]1CCn2cncc2C1)Cc1n[nH]c(=O)[n-]1 ZINC001390783952 996370707 /nfs/dbraw/zinc/37/07/07/996370707.db2.gz SUARZAHVDTWAQK-JTQLQIEISA-N -1 0 319.369 -0.483 20 0 DBADRM CCNC(=O)CN(C)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001390836932 996389005 /nfs/dbraw/zinc/38/90/05/996389005.db2.gz ICAAWQNIGQAZLW-UHFFFAOYSA-N -1 0 321.337 -0.274 20 0 DBADRM CCN(CCNC(=O)CCn1cccn1)Cc1n[nH]c(=O)[n-]1 ZINC001390882181 996402682 /nfs/dbraw/zinc/40/26/82/996402682.db2.gz JACGQCGTUYXBNF-UHFFFAOYSA-N -1 0 307.358 -0.265 20 0 DBADRM CCN(CCNC(=O)c1cc(OC)ncn1)Cc1n[nH]c(=O)[n-]1 ZINC001390898331 996405989 /nfs/dbraw/zinc/40/59/89/996405989.db2.gz MDVNBSOUQAGDDX-UHFFFAOYSA-N -1 0 321.341 -0.439 20 0 DBADRM CCN(CCNC(=O)c1ccnnc1C)Cc1n[nH]c(=O)[n-]1 ZINC001390945892 996413391 /nfs/dbraw/zinc/41/33/91/996413391.db2.gz NGFHGXQRMZLAMQ-UHFFFAOYSA-N -1 0 305.342 -0.139 20 0 DBADRM CCN(CCNC(=O)c1cnn(C)c1OC)Cc1n[nH]c(=O)[n-]1 ZINC001390996656 996419799 /nfs/dbraw/zinc/41/97/99/996419799.db2.gz CPYGXUQVHDHBEN-UHFFFAOYSA-N -1 0 323.357 -0.496 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@@H](O)[C@H](F)C2)C1 ZINC001593761615 996423119 /nfs/dbraw/zinc/42/31/19/996423119.db2.gz BVFIAYQVVCLGFI-RULNRJAQSA-N -1 0 316.329 -0.369 20 0 DBADRM O=C(CCc1cn[nH]n1)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001391059741 996432890 /nfs/dbraw/zinc/43/28/90/996432890.db2.gz IGDMJTVVOAIWOV-JTQLQIEISA-N -1 0 320.357 -0.658 20 0 DBADRM O=C(CCn1ccnc1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391096456 996448887 /nfs/dbraw/zinc/44/88/87/996448887.db2.gz LFEQLGQAUZSZKB-NSHDSACASA-N -1 0 319.369 -0.265 20 0 DBADRM CCCN(CCNC(=O)c1cncnc1)Cc1n[nH]c(=O)[n-]1 ZINC001391126643 996462277 /nfs/dbraw/zinc/46/22/77/996462277.db2.gz NSIQCTAJLVEBJK-UHFFFAOYSA-N -1 0 305.342 -0.058 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001391161346 996473960 /nfs/dbraw/zinc/47/39/60/996473960.db2.gz ZVAKRNFPSYRAJT-VIFPVBQESA-N -1 0 323.353 -0.456 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)C1CCS(=O)(=O)CC1 ZINC001596872780 1017175623 /nfs/dbraw/zinc/17/56/23/1017175623.db2.gz PBOPTSGFOGORRD-SNVBAGLBSA-N -1 0 307.368 -0.241 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)[C@@H]1C[C@H]1C ZINC001391321382 996514019 /nfs/dbraw/zinc/51/40/19/996514019.db2.gz XLBXHTAJPAELKF-IWSPIJDZSA-N -1 0 311.342 -0.786 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(c2nnnn2CCO[C@H]2CCOC2)C1 ZINC001593802027 996526289 /nfs/dbraw/zinc/52/62/89/996526289.db2.gz QRYQYSPSHRRFSZ-GWCFXTLKSA-N -1 0 311.342 -0.220 20 0 DBADRM CC(C)C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC1 ZINC001391378640 996527933 /nfs/dbraw/zinc/52/79/33/996527933.db2.gz SUPMGVUVSFMOGJ-SECBINFHSA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1noc(CCC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001391438080 996541274 /nfs/dbraw/zinc/54/12/74/996541274.db2.gz XKRVKNBICDQGNY-UHFFFAOYSA-N -1 0 307.314 -0.865 20 0 DBADRM O=C(CCCn1ccnc1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391514688 996562978 /nfs/dbraw/zinc/56/29/78/996562978.db2.gz FNGXVPKIWJFYDP-UHFFFAOYSA-N -1 0 319.369 -0.265 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NCc1cnn(C)n1 ZINC001391690071 996609155 /nfs/dbraw/zinc/60/91/55/996609155.db2.gz WOPGAEAEMQEKIV-SECBINFHSA-N -1 0 307.358 -0.150 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NCc1cnn(C)n1 ZINC001391690072 996609522 /nfs/dbraw/zinc/60/95/22/996609522.db2.gz WOPGAEAEMQEKIV-VIFPVBQESA-N -1 0 307.358 -0.150 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)[C@@H]2CCOC2)c1[O-] ZINC001391767705 996628188 /nfs/dbraw/zinc/62/81/88/996628188.db2.gz ILZVGNQCICGCLQ-SNVBAGLBSA-N -1 0 310.354 -0.009 20 0 DBADRM CC1(C)C[C@H](NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CO1 ZINC001593853231 996630761 /nfs/dbraw/zinc/63/07/61/996630761.db2.gz BPWYCJMLKLGRCG-UWVGGRQHSA-N -1 0 314.338 -0.628 20 0 DBADRM CCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001391907915 996654440 /nfs/dbraw/zinc/65/44/40/996654440.db2.gz KWHYENJDJWLGPQ-BDAKNGLRSA-N -1 0 311.342 -0.500 20 0 DBADRM COC[C@H](C)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001391971039 996667923 /nfs/dbraw/zinc/66/79/23/996667923.db2.gz CVODHVQNQPDBSY-VHSXEESVSA-N -1 0 313.358 -0.890 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC001596872104 1017176485 /nfs/dbraw/zinc/17/64/85/1017176485.db2.gz CTUUGORIPOVAOW-VIFPVBQESA-N -1 0 313.358 -0.081 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001599075653 996857232 /nfs/dbraw/zinc/85/72/32/996857232.db2.gz MMVGRQPWYZYJMH-QMTHXVAHSA-N -1 0 324.337 -0.370 20 0 DBADRM CC1(C)CN(C(=O)C(=O)NCCCCC(=O)[O-])C[C@H](CO)O1 ZINC001593926410 996858693 /nfs/dbraw/zinc/85/86/93/996858693.db2.gz DOYHMCYXDDSUIW-SNVBAGLBSA-N -1 0 316.354 -0.644 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001404812117 996873714 /nfs/dbraw/zinc/87/37/14/996873714.db2.gz QCDZOEBPZGXQGJ-KYXWUPHJSA-N -1 0 323.353 -0.644 20 0 DBADRM CC1(C)CN(C(=O)CN2CCO[C@H](CC(=O)[O-])C2)CCO1 ZINC001593928779 996878103 /nfs/dbraw/zinc/87/81/03/996878103.db2.gz SHFHAOSTTFNPFC-LLVKDONJSA-N -1 0 300.355 -0.201 20 0 DBADRM CC1(C)CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC[C@H]1O ZINC001593928933 996883006 /nfs/dbraw/zinc/88/30/06/996883006.db2.gz YOAASCSAZAGJIA-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM CC1(C)CN(C(=O)CN2CCC[C@@H](O)[C@H]2C(=O)[O-])CCO1 ZINC001593928972 996883154 /nfs/dbraw/zinc/88/31/54/996883154.db2.gz ZSHPOYMHNZSKLC-PWSUYJOCSA-N -1 0 300.355 -0.466 20 0 DBADRM CC1(C)CN(C(=O)CN2CCC[C@H](O)[C@@H]2C(=O)[O-])CCO1 ZINC001593928967 996883264 /nfs/dbraw/zinc/88/32/64/996883264.db2.gz ZSHPOYMHNZSKLC-CMPLNLGQSA-N -1 0 300.355 -0.466 20 0 DBADRM CCN(C)C(=O)CN1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001404874738 996891699 /nfs/dbraw/zinc/89/16/99/996891699.db2.gz JFAGVAZEPIGWRB-UHFFFAOYSA-N -1 0 309.370 -0.436 20 0 DBADRM CC1(C)CN(C(=O)NCCC(=O)NCCC(=O)[O-])CC[C@@H]1O ZINC001593929671 996893345 /nfs/dbraw/zinc/89/33/45/996893345.db2.gz ZUBPGAZCEMUNTJ-JTQLQIEISA-N -1 0 315.370 -0.230 20 0 DBADRM CC1(C)CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCN1CCO ZINC001593934798 996903034 /nfs/dbraw/zinc/90/30/34/996903034.db2.gz IHTBFDSZRDULII-MNOVXSKESA-N -1 0 300.355 -0.466 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)Cn2nccn2)c1[O-] ZINC001405033932 996963889 /nfs/dbraw/zinc/96/38/89/996963889.db2.gz QZEFENSCTUITBF-MRVPVSSYSA-N -1 0 321.341 -0.708 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001405041290 996968219 /nfs/dbraw/zinc/96/82/19/996968219.db2.gz ZYHJIWARXGXYPJ-ZCFIWIBFSA-N -1 0 321.341 -0.259 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001405041277 996969128 /nfs/dbraw/zinc/96/91/28/996969128.db2.gz ZYHJIWARXGXYPJ-LURJTMIESA-N -1 0 321.341 -0.259 20 0 DBADRM CC1(C)CN(S(=O)(=O)NCc2nc(C(=O)[O-])co2)CCO1 ZINC001593945067 996986216 /nfs/dbraw/zinc/98/62/16/996986216.db2.gz OMKQCYLSAVSKGH-UHFFFAOYSA-N -1 0 319.339 -0.182 20 0 DBADRM O=C(CCCn1ccnc1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001405097572 996999332 /nfs/dbraw/zinc/99/93/32/996999332.db2.gz LVIHWEKNLURPBO-LLVKDONJSA-N -1 0 319.369 -0.122 20 0 DBADRM Cc1nn(C)cc1C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001392634787 997103670 /nfs/dbraw/zinc/10/36/70/997103670.db2.gz AROYOHSHMQLHKK-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM CCOCCN(CC)C(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001596924078 1017178263 /nfs/dbraw/zinc/17/82/63/1017178263.db2.gz GCZHCFYVVKXQJC-AWEZNQCLSA-N -1 0 316.354 -0.427 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)C1=O ZINC001593968671 997122074 /nfs/dbraw/zinc/12/20/74/997122074.db2.gz HWIUBXSADKIZPW-UHFFFAOYSA-N -1 0 322.277 -0.246 20 0 DBADRM Cc1cc(OCC(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001392662718 997124128 /nfs/dbraw/zinc/12/41/28/997124128.db2.gz MZSNPRMYSOLHGJ-MRVPVSSYSA-N -1 0 324.341 -0.178 20 0 DBADRM C[C@](CO)(NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC001593968994 997126436 /nfs/dbraw/zinc/12/64/36/997126436.db2.gz QWXRKEDOWHVODB-CYBMUJFWSA-N -1 0 315.326 -0.951 20 0 DBADRM CC1(C)NC(=O)N(CCCC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1=O ZINC001593969087 997128156 /nfs/dbraw/zinc/12/81/56/997128156.db2.gz XHDBVBUXYKOOEW-JZYVYDRUSA-N -1 0 323.349 -0.114 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1nccn1C ZINC001392674127 997129901 /nfs/dbraw/zinc/12/99/01/997129901.db2.gz UBNVJTCSRFAOQX-SNVBAGLBSA-N -1 0 321.385 -0.187 20 0 DBADRM CCCC(=O)N[C@H]1C[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001493954869 1016099778 /nfs/dbraw/zinc/09/97/78/1016099778.db2.gz ZGKYDYKRKIVAQF-KYZUINATSA-N -1 0 323.353 -0.221 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cccc2n[nH]nc21 ZINC001405345931 997214335 /nfs/dbraw/zinc/21/43/35/997214335.db2.gz OBMVMHIRBXSGNL-NGZCFLSTSA-N -1 0 317.349 -0.179 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001392865984 997280387 /nfs/dbraw/zinc/28/03/87/997280387.db2.gz ALVLGGWVRDKZLZ-SNVBAGLBSA-N -1 0 319.369 -0.217 20 0 DBADRM Cc1cnc(CN2CC[C@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001392881053 997294370 /nfs/dbraw/zinc/29/43/70/997294370.db2.gz UYOYRGXLYDGBBH-VIFPVBQESA-N -1 0 322.325 -0.624 20 0 DBADRM Cc1conc1CN1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001392881851 997295763 /nfs/dbraw/zinc/29/57/63/997295763.db2.gz XZFPYHXECKOOPN-SECBINFHSA-N -1 0 322.325 -0.624 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CCC(F)F ZINC001392952398 997340062 /nfs/dbraw/zinc/34/00/62/997340062.db2.gz DATQGKGIMIGAAX-YFKPBYRVSA-N -1 0 319.268 -0.437 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393003481 997355426 /nfs/dbraw/zinc/35/54/26/997355426.db2.gz GAQPWOYJARGUOG-QMMMGPOBSA-N -1 0 310.358 -0.932 20 0 DBADRM CCC(=O)N[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)(C)C ZINC001405710027 997402614 /nfs/dbraw/zinc/40/26/14/997402614.db2.gz KLWPZZQIQQSYEY-SSDOTTSWSA-N -1 0 311.342 -0.047 20 0 DBADRM Cc1nccn1CC(=O)NC[C@@H](C)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001405738256 997410239 /nfs/dbraw/zinc/41/02/39/997410239.db2.gz NBEDYYHQTMSYJJ-VIFPVBQESA-N -1 0 307.358 -0.443 20 0 DBADRM Cc1nccn1CC(=O)NC[C@H](C)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001405738240 997411586 /nfs/dbraw/zinc/41/15/86/997411586.db2.gz NBEDYYHQTMSYJJ-SECBINFHSA-N -1 0 307.358 -0.443 20 0 DBADRM CC[C@@H](C)CC(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393250042 997494352 /nfs/dbraw/zinc/49/43/52/997494352.db2.gz WMCFTTGUGRVRDU-YGRLFVJLSA-N -1 0 311.386 -0.001 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)CNC(=O)C(C)C ZINC001406052101 997500076 /nfs/dbraw/zinc/50/00/76/997500076.db2.gz MUHWEQXEORQQBD-SECBINFHSA-N -1 0 313.358 -0.302 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001406107807 997525563 /nfs/dbraw/zinc/52/55/63/997525563.db2.gz PIXLBHPNPXROQQ-UHFFFAOYSA-N -1 0 309.330 -0.549 20 0 DBADRM CC(=O)N1CC[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](C)C1 ZINC001406199898 997563567 /nfs/dbraw/zinc/56/35/67/997563567.db2.gz JZNRKLRJVBNNIK-SCZZXKLOSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(CCn3cccn3)C2)c1[O-] ZINC001393312135 997569940 /nfs/dbraw/zinc/56/99/40/997569940.db2.gz LNWJTYXSGZIKCY-UHFFFAOYSA-N -1 0 320.353 -0.903 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@]12C[C@H]1CCC2 ZINC001393323023 997581595 /nfs/dbraw/zinc/58/15/95/997581595.db2.gz FMCAUVWDWANHDJ-YMTOWFKASA-N -1 0 307.354 -0.637 20 0 DBADRM CCOCC[C@H](O)CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001596899384 1017179065 /nfs/dbraw/zinc/17/90/65/1017179065.db2.gz XFVDOIFVWBBLLQ-ZANVPECISA-N -1 0 302.327 -0.051 20 0 DBADRM CC(=O)NCC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001393489944 997694768 /nfs/dbraw/zinc/69/47/68/997694768.db2.gz QVXMIEVMVFIPLX-UHFFFAOYSA-N -1 0 322.369 -0.929 20 0 DBADRM CCN1CCOC[C@@H]1CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001393506727 997701118 /nfs/dbraw/zinc/70/11/18/997701118.db2.gz KQNYLIBIBHZWTA-JTQLQIEISA-N -1 0 313.358 -0.694 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NCC1(NC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001393528279 997714021 /nfs/dbraw/zinc/71/40/21/997714021.db2.gz GQMRJVWWOFFNQN-MRVPVSSYSA-N -1 0 323.353 -0.673 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)c1[O-] ZINC001393602814 997761402 /nfs/dbraw/zinc/76/14/02/997761402.db2.gz BVZKOCXANMKOJJ-MYJAWHEDSA-N -1 0 320.349 -0.305 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001393640438 997784978 /nfs/dbraw/zinc/78/49/78/997784978.db2.gz DUVQRFVZXXGWHR-VIFPVBQESA-N -1 0 310.358 -0.931 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001406643088 997843527 /nfs/dbraw/zinc/84/35/27/997843527.db2.gz FPCZZUJFSKEKQJ-SSDOTTSWSA-N -1 0 321.341 -0.435 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cccc(=O)n1C ZINC001406651351 997846773 /nfs/dbraw/zinc/84/67/73/997846773.db2.gz FFKIBRVIJJWZFO-VIFPVBQESA-N -1 0 320.353 -0.541 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001406847888 997897545 /nfs/dbraw/zinc/89/75/45/997897545.db2.gz COEKLTICNJKDGC-VHSXEESVSA-N -1 0 322.369 -0.740 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001393957893 997902955 /nfs/dbraw/zinc/90/29/55/997902955.db2.gz SOWCCBIXDIVDHZ-UHFFFAOYSA-N -1 0 323.353 -0.815 20 0 DBADRM CCn1cc(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)nn1 ZINC001393977931 997913300 /nfs/dbraw/zinc/91/33/00/997913300.db2.gz DADWAHVQUTURRC-RKDXNWHRSA-N -1 0 322.373 -0.984 20 0 DBADRM CCN1C[C@@H](C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001394064333 997954019 /nfs/dbraw/zinc/95/40/19/997954019.db2.gz BCDMSQTUXQIJMW-ZJUUUORDSA-N -1 0 324.385 -0.685 20 0 DBADRM Cc1cnn(C)c1C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001394100755 997980322 /nfs/dbraw/zinc/98/03/22/997980322.db2.gz MPVUNPOQAGQVDB-SECBINFHSA-N -1 0 307.358 -0.197 20 0 DBADRM CCOCCS(=O)(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001596939754 1017180822 /nfs/dbraw/zinc/18/08/22/1017180822.db2.gz SOHOTWFJYXJIGO-VIFPVBQESA-N -1 0 318.355 -0.411 20 0 DBADRM COCCN(CCNC(=O)C(C)(F)F)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001599238515 997991610 /nfs/dbraw/zinc/99/16/10/997991610.db2.gz MIXYGSDMAIAWEK-RKDXNWHRSA-N -1 0 322.308 -0.047 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@](C)(CCF)C(=O)[O-])CC1=O ZINC001599239623 998014182 /nfs/dbraw/zinc/01/41/82/998014182.db2.gz GXKVFZKCSLZFHI-TVQRCGJNSA-N -1 0 304.318 -0.200 20 0 DBADRM CC(F)(F)CC(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001394162718 998023994 /nfs/dbraw/zinc/02/39/94/998023994.db2.gz MJTADVJFUPVQJT-UHFFFAOYSA-N -1 0 319.312 -0.391 20 0 DBADRM C[C@@H](C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001407183118 998057563 /nfs/dbraw/zinc/05/75/63/998057563.db2.gz UXQSYVDVFDQSKS-TVQRCGJNSA-N -1 0 320.357 -0.556 20 0 DBADRM C[C@]1(NC(=O)CCn2ccnc2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407186484 998058133 /nfs/dbraw/zinc/05/81/33/998058133.db2.gz YHSVRLNMFCLCLC-AWEZNQCLSA-N -1 0 319.369 -0.122 20 0 DBADRM C[C@H](C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001407183104 998059579 /nfs/dbraw/zinc/05/95/79/998059579.db2.gz UXQSYVDVFDQSKS-RNCFNFMXSA-N -1 0 320.357 -0.556 20 0 DBADRM C[C@@]1(NC(=O)Cc2cc[nH]n2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407216281 998072957 /nfs/dbraw/zinc/07/29/57/998072957.db2.gz XUGFXPVMRZJYHS-CYBMUJFWSA-N -1 0 305.342 -0.443 20 0 DBADRM CC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001407442918 998200921 /nfs/dbraw/zinc/20/09/21/998200921.db2.gz XRFFYOJVQZNZQG-WPRPVWTQSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001407442916 998201354 /nfs/dbraw/zinc/20/13/54/998201354.db2.gz XRFFYOJVQZNZQG-WCBMZHEXSA-N -1 0 311.342 -0.405 20 0 DBADRM Cc1cccc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)n1 ZINC001394569776 998207070 /nfs/dbraw/zinc/20/70/70/998207070.db2.gz HDUYKAUHHGHLGE-SECBINFHSA-N -1 0 306.326 -0.906 20 0 DBADRM CC(C)(F)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001407461544 998211065 /nfs/dbraw/zinc/21/10/65/998211065.db2.gz GVVJYAADPATVCD-QMMMGPOBSA-N -1 0 301.322 -0.425 20 0 DBADRM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407466320 998215166 /nfs/dbraw/zinc/21/51/66/998215166.db2.gz PEASAOKESTXAPO-UWVGGRQHSA-N -1 0 309.370 -0.535 20 0 DBADRM CCOCCOCC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001596935715 1017181725 /nfs/dbraw/zinc/18/17/25/1017181725.db2.gz SVGABQRLJJKERI-MNOVXSKESA-N -1 0 317.338 -0.096 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001599150636 998292124 /nfs/dbraw/zinc/29/21/24/998292124.db2.gz WTCAQXZGNRGARQ-ZYHUDNBSSA-N -1 0 324.399 -0.884 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C1CCC(F)CC1 ZINC001394623358 998301382 /nfs/dbraw/zinc/30/13/82/998301382.db2.gz SSSCBIAGPVPRFB-UDNWOFFPSA-N -1 0 315.349 -0.395 20 0 DBADRM O=C(NC[C@@H](NC(=O)C1CCC1)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001407674518 998321123 /nfs/dbraw/zinc/32/11/23/998321123.db2.gz VZWBHIUIUMRXCR-SECBINFHSA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C1(F)CCCCC1 ZINC001394645373 998337874 /nfs/dbraw/zinc/33/78/74/998337874.db2.gz VLRHFVISISIXID-VIFPVBQESA-N -1 0 315.349 -0.251 20 0 DBADRM CC1(CC(=O)N[C@H]2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001407903823 998421992 /nfs/dbraw/zinc/42/19/92/998421992.db2.gz ANHYMYQTDLLFAI-DTORHVGOSA-N -1 0 323.353 -0.357 20 0 DBADRM CN(CCCN(C)C(=O)c1cn(C)nn1)Cc1n[nH]c(=O)[n-]1 ZINC001407905866 998422537 /nfs/dbraw/zinc/42/25/37/998422537.db2.gz VVHDKWDOGFWTIW-UHFFFAOYSA-N -1 0 308.346 -0.767 20 0 DBADRM CCN1CC2(C1)CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)O2 ZINC001407998200 998449803 /nfs/dbraw/zinc/44/98/03/998449803.db2.gz XTGHDUUBQIEPFK-SECBINFHSA-N -1 0 311.342 -0.941 20 0 DBADRM CS[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001408081891 998484875 /nfs/dbraw/zinc/48/48/75/998484875.db2.gz KTGNXAHDLNXPLX-PHDIDXHHSA-N -1 0 315.355 -0.731 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@H]2CCC(=O)N2C)c1[O-] ZINC001408120636 998508887 /nfs/dbraw/zinc/50/88/87/998508887.db2.gz PQLDXTYJUXTIHK-VXNVDRBHSA-N -1 0 323.353 -0.721 20 0 DBADRM CC(=O)NCC(=O)NC1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001394888113 998534762 /nfs/dbraw/zinc/53/47/62/998534762.db2.gz SVXOSDDRTOKKMV-UHFFFAOYSA-N -1 0 323.353 -0.816 20 0 DBADRM CC(C)C(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001394931601 998545491 /nfs/dbraw/zinc/54/54/91/998545491.db2.gz FSZLBXMHVJXNJX-DTWKUNHWSA-N -1 0 310.354 -0.235 20 0 DBADRM C[C@H](CNC(=O)CC(C)(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001408317202 998601560 /nfs/dbraw/zinc/60/15/60/998601560.db2.gz WWLGSPWMSCIFOX-RXMQYKEDSA-N -1 0 319.268 -0.437 20 0 DBADRM CCC(=O)N(C)[C@H](C)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001395122816 998611663 /nfs/dbraw/zinc/61/16/63/998611663.db2.gz XPBMLMVTIDKLBN-SECBINFHSA-N -1 0 313.358 -0.157 20 0 DBADRM CCC(=O)N(C)[C@@H](C)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001395122817 998612214 /nfs/dbraw/zinc/61/22/14/998612214.db2.gz XPBMLMVTIDKLBN-VIFPVBQESA-N -1 0 313.358 -0.157 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)[C@H]1C[C@@H]1C ZINC001395141918 998618842 /nfs/dbraw/zinc/61/88/42/998618842.db2.gz NJVCGGUYXWQTPQ-FXQIFTODSA-N -1 0 309.326 -0.485 20 0 DBADRM CCCC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001408399389 998621252 /nfs/dbraw/zinc/62/12/52/998621252.db2.gz KRCZJNLIGHOXGF-QMMMGPOBSA-N -1 0 309.326 -0.339 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2COCCO2)c1[O-] ZINC001395456836 998669142 /nfs/dbraw/zinc/66/91/42/998669142.db2.gz QUFSLDKSNWSNKT-NXEZZACHSA-N -1 0 324.337 -0.830 20 0 DBADRM CCC(=O)N[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)C ZINC001395470153 998669874 /nfs/dbraw/zinc/66/98/74/998669874.db2.gz UINYXCHZVOUFHM-MRVPVSSYSA-N -1 0 311.342 -0.047 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)c2cnn(C)n2)c1[O-] ZINC001395568006 998687644 /nfs/dbraw/zinc/68/76/44/998687644.db2.gz CLCLKAHBLKRFBR-SSDOTTSWSA-N -1 0 321.341 -0.557 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1(C)CC1 ZINC001395631139 998697616 /nfs/dbraw/zinc/69/76/16/998697616.db2.gz QEJRQAVNOBAYSA-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)CCC2CC2)c1[O-] ZINC001395709432 998732258 /nfs/dbraw/zinc/73/22/58/998732258.db2.gz XERXYXODQMUSKT-JTQLQIEISA-N -1 0 310.354 -0.179 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC23CCC3)c1[O-] ZINC001395727831 998744960 /nfs/dbraw/zinc/74/49/60/998744960.db2.gz CKCBSTUMODKEDC-UWVGGRQHSA-N -1 0 322.365 -0.179 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC23CC3)c1[O-] ZINC001395729902 998746365 /nfs/dbraw/zinc/74/63/65/998746365.db2.gz RNSNOCMPOAMFFU-IUCAKERBSA-N -1 0 308.338 -0.569 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN(C)C(=O)C2CCC2)c1[O-] ZINC001395968542 998805801 /nfs/dbraw/zinc/80/58/01/998805801.db2.gz PCFBJWXWYXTBSO-SNVBAGLBSA-N -1 0 310.354 -0.227 20 0 DBADRM Cc1cc(N(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001396159022 998834421 /nfs/dbraw/zinc/83/44/21/998834421.db2.gz POGNRFWDEUPAIS-UHFFFAOYSA-N -1 0 307.314 -0.960 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)CC(C)C)[C@@H](O)C2)c1[O-] ZINC001396421582 998858437 /nfs/dbraw/zinc/85/84/37/998858437.db2.gz YDQKXLMNLTWMPR-ZJUUUORDSA-N -1 0 310.354 -0.229 20 0 DBADRM CC(=O)NC[C@H]1CC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001396545505 998873684 /nfs/dbraw/zinc/87/36/84/998873684.db2.gz AOTQLEPOSDTBHW-VHSXEESVSA-N -1 0 323.353 -0.364 20 0 DBADRM CCCC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001396591659 998876846 /nfs/dbraw/zinc/87/68/46/998876846.db2.gz OCZYSHWELKPEGN-BDAKNGLRSA-N -1 0 311.342 -0.405 20 0 DBADRM CCCCC(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001396759966 998895969 /nfs/dbraw/zinc/89/59/69/998895969.db2.gz CPLWNLNLAHASOK-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM Cc1cnc(COCC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001494415936 1016259354 /nfs/dbraw/zinc/25/93/54/1016259354.db2.gz UYDRKZSDHSEMBD-UHFFFAOYSA-N -1 0 322.325 -0.676 20 0 DBADRM CC(=O)NCC(=O)N[C@H](CNC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001396985790 998937117 /nfs/dbraw/zinc/93/71/17/998937117.db2.gz YEYNHEATRFMZMG-SNVBAGLBSA-N -1 0 323.353 -0.816 20 0 DBADRM COC[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-] ZINC001397321967 999012639 /nfs/dbraw/zinc/01/26/39/999012639.db2.gz DQPFHZCCYHPPBM-SNXWAXQRSA-N -1 0 322.365 -0.107 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2cnccn2)c1[O-] ZINC001397372175 999024162 /nfs/dbraw/zinc/02/41/62/999024162.db2.gz SGXWRGMFXCTDMO-ZETCQYMHSA-N -1 0 304.310 -0.238 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001596980856 1017184416 /nfs/dbraw/zinc/18/44/16/1017184416.db2.gz OIKULZZCSQURIW-GHMZBOCLSA-N -1 0 310.306 -0.533 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2nnn(C)c2C)c1[O-] ZINC001397402207 999034987 /nfs/dbraw/zinc/03/49/87/999034987.db2.gz SGVOIHOVIGFALO-LURJTMIESA-N -1 0 321.341 -0.591 20 0 DBADRM COC[C@@H](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC001494462459 1016278441 /nfs/dbraw/zinc/27/84/41/1016278441.db2.gz VKUACYOGBVVTHG-QISWUMQESA-N -1 0 307.354 -0.336 20 0 DBADRM CCO[C@H](CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC001494461403 1016279399 /nfs/dbraw/zinc/27/93/99/1016279399.db2.gz BUPRPJGICJQHRC-DMWPJOQESA-N -1 0 307.354 -0.194 20 0 DBADRM CCn1cc(C(=O)NC[C@H](C)NC(=O)c2[nH]nc(C)c2[O-])nn1 ZINC001397580861 999086336 /nfs/dbraw/zinc/08/63/36/999086336.db2.gz BJVNMSGYJLFUDX-ZETCQYMHSA-N -1 0 321.341 -0.417 20 0 DBADRM CN(CCNC(=O)C(F)F)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001397842725 999145131 /nfs/dbraw/zinc/14/51/31/999145131.db2.gz DSDINTDROBUGHK-UHFFFAOYSA-N -1 0 319.268 -0.945 20 0 DBADRM CN(CCNC(=O)[C@H]1CC12CCC2)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397906345 999166757 /nfs/dbraw/zinc/16/67/57/999166757.db2.gz BKHMPCAONQUIAI-SECBINFHSA-N -1 0 323.353 -0.546 20 0 DBADRM CCN(CCNC(=O)C(F)F)C(=O)c1cnc([O-])n(C)c1=O ZINC001398045107 999203055 /nfs/dbraw/zinc/20/30/55/999203055.db2.gz MJRIIEKNEVQKBZ-UHFFFAOYSA-N -1 0 318.280 -0.671 20 0 DBADRM CC1(C(=O)N2CCC[C@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001398192195 999220814 /nfs/dbraw/zinc/22/08/14/999220814.db2.gz UNRGNZZKACHTJL-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](NCc2ncnn2C)C2CC2)c1[O-] ZINC001398386929 999261209 /nfs/dbraw/zinc/26/12/09/999261209.db2.gz PJPXIUDVZJGONY-SNVBAGLBSA-N -1 0 319.369 -0.150 20 0 DBADRM O=C(CC1CC1)NC1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001398547767 999294158 /nfs/dbraw/zinc/29/41/58/999294158.db2.gz UDOMOULXXSEMHE-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)[C@H]1CCC(=O)N1 ZINC001398978654 999389461 /nfs/dbraw/zinc/38/94/61/999389461.db2.gz QTNZUNBVQQGKJD-RKDXNWHRSA-N -1 0 323.353 -0.673 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(C)F ZINC001399040479 999399270 /nfs/dbraw/zinc/39/92/70/999399270.db2.gz SLSCXEIEGWNIJH-SSDOTTSWSA-N -1 0 317.321 -0.552 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)c2ncn(C)n2)c1[O-] ZINC001399362523 999418781 /nfs/dbraw/zinc/41/87/81/999418781.db2.gz WXBBZALKPVKXGC-SSDOTTSWSA-N -1 0 321.341 -0.652 20 0 DBADRM CN(CCNC(=O)c1cnc(Cl)n1C)Cc1n[nH]c(=O)[n-]1 ZINC001399523676 999441262 /nfs/dbraw/zinc/44/12/62/999441262.db2.gz IBDLBPPDTBZWFT-UHFFFAOYSA-N -1 0 313.749 -0.241 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001399628765 999453768 /nfs/dbraw/zinc/45/37/68/999453768.db2.gz IGYRKYOTWYMXFT-AWEZNQCLSA-N -1 0 324.385 -0.683 20 0 DBADRM CN(CCN(C)C(=O)C(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001399640488 999456227 /nfs/dbraw/zinc/45/62/27/999456227.db2.gz XVSXXAMBZYPGNS-UHFFFAOYSA-N -1 0 305.241 -0.922 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001399654494 999458330 /nfs/dbraw/zinc/45/83/30/999458330.db2.gz IMKDBWPCYPLIOT-SFYZADRCSA-N -1 0 309.326 -0.531 20 0 DBADRM CN(CCNC(=O)[C@H]1CCc2c[nH]nc2C1)Cc1n[nH]c(=O)[n-]1 ZINC001399656692 999458638 /nfs/dbraw/zinc/45/86/38/999458638.db2.gz FPHYDDUNOLKARA-VIFPVBQESA-N -1 0 319.369 -0.414 20 0 DBADRM Cc1cnc(CN(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)cn1 ZINC001399651922 999458843 /nfs/dbraw/zinc/45/88/43/999458843.db2.gz YVTQHNWKRPHPLM-UHFFFAOYSA-N -1 0 321.341 -0.964 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])Cc1cnnn1C ZINC001399702562 999466135 /nfs/dbraw/zinc/46/61/35/999466135.db2.gz ZWOBSTVSIRLHMF-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM CCN(CCNC(=O)[C@]1(F)CCOC1)Cc1n[nH]c(=O)[n-]1 ZINC001399751216 999474194 /nfs/dbraw/zinc/47/41/94/999474194.db2.gz NBBPHODQBYBMSK-LBPRGKRZSA-N -1 0 301.322 -0.423 20 0 DBADRM CC(=O)NC[C@@H](O)CNC(=O)c1n[n-]c2ccccc2c1=O ZINC001399769386 999478278 /nfs/dbraw/zinc/47/82/78/999478278.db2.gz UFQXHTAUBOXBOQ-SECBINFHSA-N -1 0 304.306 -0.438 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)CC2CCC2)c1[O-] ZINC001399846618 999503424 /nfs/dbraw/zinc/50/34/24/999503424.db2.gz VDFWTFQGVCJTEY-SNVBAGLBSA-N -1 0 310.354 -0.179 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2cnns2)c1[O-] ZINC001399936036 999528811 /nfs/dbraw/zinc/52/88/11/999528811.db2.gz DLWCYFZBQHYSQC-RXMQYKEDSA-N -1 0 310.339 -0.176 20 0 DBADRM C[C@@H](NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)c1ncccn1 ZINC001400037598 999549973 /nfs/dbraw/zinc/54/99/73/999549973.db2.gz LSOVTKJJNNJBHZ-MRVPVSSYSA-N -1 0 319.325 -0.504 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N(C)[C@H](COC(C)C)C(=O)[O-] ZINC001597224181 1017190391 /nfs/dbraw/zinc/19/03/91/1017190391.db2.gz NCAGPIVHGJKWGJ-NXEZZACHSA-N -1 0 324.399 -0.349 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001597223850 1017190486 /nfs/dbraw/zinc/19/04/86/1017190486.db2.gz BAYJISHSVILPJT-PSASIEDQSA-N -1 0 306.384 -0.069 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)c1cc(C(=O)[O-])on1 ZINC001597216114 1017190688 /nfs/dbraw/zinc/19/06/88/1017190688.db2.gz PPEHZKMJYCJSJO-UHFFFAOYSA-N -1 0 319.339 -0.226 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001597213699 1017189220 /nfs/dbraw/zinc/18/92/20/1017189220.db2.gz JKBHOQAKJZKMLP-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001597224228 1017191421 /nfs/dbraw/zinc/19/14/21/1017191421.db2.gz OMHKUBAAGFYWBO-JOYOIKCWSA-N -1 0 322.383 -0.546 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001597223852 1017191543 /nfs/dbraw/zinc/19/15/43/1017191543.db2.gz BAYJISHSVILPJT-WCBMZHEXSA-N -1 0 306.384 -0.069 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597221042 1017191578 /nfs/dbraw/zinc/19/15/78/1017191578.db2.gz FYLLGCNGFKFGKS-GMTAPVOTSA-N -1 0 318.395 -0.115 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H]2C(=O)[O-])C1 ZINC001597219231 1017191629 /nfs/dbraw/zinc/19/16/29/1017191629.db2.gz KPXGAYONVVFIQM-VHSXEESVSA-N -1 0 304.368 -0.266 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@](C)(COC)CC(=O)[O-] ZINC001597224107 1017191155 /nfs/dbraw/zinc/19/11/55/1017191155.db2.gz KVPDPBIXDNHYIX-KCJUWKMLSA-N -1 0 310.372 -0.690 20 0 DBADRM CC[S@](=O)CCNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001597249118 1017193078 /nfs/dbraw/zinc/19/30/78/1017193078.db2.gz GRDNIQJWLZUJPO-FQEVSTJZSA-N -1 0 307.372 -0.965 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001597248811 1017193267 /nfs/dbraw/zinc/19/32/67/1017193267.db2.gz DDVSNHBKIQXEDP-NRFANRHFSA-N -1 0 315.351 -0.453 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001597225031 1017193293 /nfs/dbraw/zinc/19/32/93/1017193293.db2.gz ICFRBGJXJLYQRM-NXEZZACHSA-N -1 0 321.399 -0.322 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)c1cc(C(=O)[O-])ccn1 ZINC001597225672 1017193312 /nfs/dbraw/zinc/19/33/12/1017193312.db2.gz WEEXMBOQONGQMC-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM CCS(=O)(=O)Nc1cccc(C(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC001597231769 1017193388 /nfs/dbraw/zinc/19/33/88/1017193388.db2.gz XZFHEUJKKKYWJO-JTQLQIEISA-N -1 0 316.335 -0.377 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)N[C@@H](CCOC)C(=O)[O-] ZINC001597245334 1017193672 /nfs/dbraw/zinc/19/36/72/1017193672.db2.gz FYIXKUGHTDTTPX-QMMMGPOBSA-N -1 0 316.401 -0.182 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001591035783 1016376589 /nfs/dbraw/zinc/37/65/89/1016376589.db2.gz IENXHMKSPHTCIM-OPRDCNLKSA-N -1 0 322.383 -0.834 20 0 DBADRM CC(C)[C@H](OC(=O)CN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001591040886 1016377408 /nfs/dbraw/zinc/37/74/08/1016377408.db2.gz RZOTWSZNRSFMDD-NSHDSACASA-N -1 0 322.383 -0.784 20 0 DBADRM CN(C[C@H](O)C1CC1)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591044602 1016379775 /nfs/dbraw/zinc/37/97/75/1016379775.db2.gz SZCIGXYHHRZBRZ-VIFPVBQESA-N -1 0 324.366 -0.347 20 0 DBADRM CCc1nc(C)c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])o1 ZINC001597655753 1017201104 /nfs/dbraw/zinc/20/11/04/1017201104.db2.gz FNUHFPUUTDGFCQ-QMMMGPOBSA-N -1 0 316.335 -0.131 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)no1 ZINC001597477635 1017202183 /nfs/dbraw/zinc/20/21/83/1017202183.db2.gz HDODKCSBVLZQSG-YUMQZZPRSA-N -1 0 311.294 -0.531 20 0 DBADRM CC(C)C[C@H](C(=O)[O-])N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001591120801 1016391156 /nfs/dbraw/zinc/39/11/56/1016391156.db2.gz ONUVXKLHNCKJGL-WDEREUQCSA-N -1 0 320.411 -0.279 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C)/C=C\C(=O)[O-] ZINC001591108968 1016392027 /nfs/dbraw/zinc/39/20/27/1016392027.db2.gz PTPZIAYQCLYFPE-YVDHIRPGSA-N -1 0 313.354 -0.462 20 0 DBADRM CC(C)C[C@@H](C(N)=O)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001591124177 1016393057 /nfs/dbraw/zinc/39/30/57/1016393057.db2.gz HGOVMZYFBONYFR-VIFPVBQESA-N -1 0 309.326 -0.493 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CNCc2cn(C)nn2)C2CC2)c1[O-] ZINC001420722772 1000218086 /nfs/dbraw/zinc/21/80/86/1000218086.db2.gz KWPUDVZRDFMRGU-LLVKDONJSA-N -1 0 319.369 -0.150 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)C[C@@H]2CCNC2=O)c1[O-] ZINC001408549183 1000218546 /nfs/dbraw/zinc/21/85/46/1000218546.db2.gz BXNRHPFQMJEJMD-VIFPVBQESA-N -1 0 323.353 -0.862 20 0 DBADRM CC(C)C[C@H](CNC(=O)c1cnn(C[C@H](O)CO)c1)C(=O)[O-] ZINC001591156131 1016398321 /nfs/dbraw/zinc/39/83/21/1016398321.db2.gz IYWNBVYYIFQPTK-PWSUYJOCSA-N -1 0 313.354 -0.287 20 0 DBADRM CN(C[Si](C)(C)C)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591126450 1016398831 /nfs/dbraw/zinc/39/88/31/1016398831.db2.gz WGKFNRMLLOCPGJ-UHFFFAOYSA-N -1 0 309.406 -0.433 20 0 DBADRM O=C(Cc1ncccc1F)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001420862869 1000271753 /nfs/dbraw/zinc/27/17/53/1000271753.db2.gz NXWKVINQTSGGMB-VIFPVBQESA-N -1 0 320.328 -0.022 20 0 DBADRM CN(c1cnccn1)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC001591159652 1016399346 /nfs/dbraw/zinc/39/93/46/1016399346.db2.gz UQMBBBCJLNRTGZ-UHFFFAOYSA-N -1 0 318.322 -0.123 20 0 DBADRM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001420881099 1000280137 /nfs/dbraw/zinc/28/01/37/1000280137.db2.gz WPFOUURLFDFZCF-ONGXEEELSA-N -1 0 319.369 -0.197 20 0 DBADRM CSCC(=O)N[C@@H](C)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001494728252 1016400599 /nfs/dbraw/zinc/40/05/99/1016400599.db2.gz PVVCTKOATFBUBS-QMMMGPOBSA-N -1 0 323.378 -0.380 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@H](O)C[C@]1(C)CO)C(=O)[O-] ZINC001591167665 1016401580 /nfs/dbraw/zinc/40/15/80/1016401580.db2.gz KLIAHSICEPSMEC-UHIISALHSA-N -1 0 302.371 -0.581 20 0 DBADRM CCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(C(C)=O)C1 ZINC001408973497 1000323102 /nfs/dbraw/zinc/32/31/02/1000323102.db2.gz RUPTWQKPBDTGHW-SNVBAGLBSA-N -1 0 311.342 -0.451 20 0 DBADRM O=C(CCn1ccccc1=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421036200 1000338159 /nfs/dbraw/zinc/33/81/59/1000338159.db2.gz RWEGGCAEPZVVGS-UHFFFAOYSA-N -1 0 318.337 -0.937 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)C1(C(N)=O)CCC1)C(=O)[O-] ZINC001591172517 1016405269 /nfs/dbraw/zinc/40/52/69/1016405269.db2.gz XTWOXAFMCOCGBT-VIFPVBQESA-N -1 0 314.338 -0.199 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)CCc3c[nH]cn3)C2)c1[O-] ZINC001409066814 1000350341 /nfs/dbraw/zinc/35/03/41/1000350341.db2.gz NHKMLJLQZJLBGN-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM CC(C)CC(=O)N1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001409075270 1000354615 /nfs/dbraw/zinc/35/46/15/1000354615.db2.gz OEGUPXALBFIPLA-UHFFFAOYSA-N -1 0 323.353 -0.412 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)Cc3cc[nH]n3)C2)c1[O-] ZINC001409131798 1000376726 /nfs/dbraw/zinc/37/67/26/1000376726.db2.gz FHGZECGFFQIKKI-UHFFFAOYSA-N -1 0 318.337 -0.422 20 0 DBADRM CC(C)C[C@@H](NC(=O)Cn1nnc(-c2ccncn2)n1)C(=O)[O-] ZINC001591177784 1016409113 /nfs/dbraw/zinc/40/91/13/1016409113.db2.gz LPQCSRHBESFNMV-SNVBAGLBSA-N -1 0 319.325 -0.254 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H](C)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001409252564 1000411354 /nfs/dbraw/zinc/41/13/54/1000411354.db2.gz PGJJXZHCZKZTQU-CBAPKCEASA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@]2(O)CCN(Cc3ccon3)C2)c1[O-] ZINC001421345819 1000456900 /nfs/dbraw/zinc/45/69/00/1000456900.db2.gz CYJVBIKLQHEHAM-AWEZNQCLSA-N -1 0 321.337 -0.221 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001409608036 1000484305 /nfs/dbraw/zinc/48/43/05/1000484305.db2.gz HFXCSCYKDBRVAC-SSDOTTSWSA-N -1 0 321.341 -0.435 20 0 DBADRM C[C@H](CNC(=O)CN1CCCC1=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001409636570 1000492399 /nfs/dbraw/zinc/49/23/99/1000492399.db2.gz VALBDUPFCSPPOV-SECBINFHSA-N -1 0 310.358 -0.931 20 0 DBADRM Cc1nocc1CN(C)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001409669890 1000503345 /nfs/dbraw/zinc/50/33/45/1000503345.db2.gz XAKFMLHOYJOUDS-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM CCC(=O)NC[C@H](CC(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001409785067 1000533398 /nfs/dbraw/zinc/53/33/98/1000533398.db2.gz NVNZZNOJLBUQBV-QMMMGPOBSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)n1cccn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001409837812 1000536905 /nfs/dbraw/zinc/53/69/05/1000536905.db2.gz IAJZTXRPPVCXFI-ZJUUUORDSA-N -1 0 319.369 -0.096 20 0 DBADRM C[C@@H](NC(=O)C[C@H]1CCC(=O)N1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001409901528 1000548193 /nfs/dbraw/zinc/54/81/93/1000548193.db2.gz HMTIODRCMPHACH-PSASIEDQSA-N -1 0 322.369 -0.885 20 0 DBADRM CC(=O)N(C)CCN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001409920559 1000552456 /nfs/dbraw/zinc/55/24/56/1000552456.db2.gz MXMGUYSMRKJNMK-UHFFFAOYSA-N -1 0 306.326 -0.992 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1CC1(C)C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001409971882 1000565514 /nfs/dbraw/zinc/56/55/14/1000565514.db2.gz BZOSTQVHWMUJLY-MRVPVSSYSA-N -1 0 323.353 -0.141 20 0 DBADRM CNC(=O)C(=O)Nc1ccccc1-n1cnc(-c2nnn[n-]2)n1 ZINC001591198010 1016424139 /nfs/dbraw/zinc/42/41/39/1016424139.db2.gz DGXADMXEPIBDDS-UHFFFAOYSA-N -1 0 313.281 -0.868 20 0 DBADRM O=C(CC1(O)CCC1)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001410047274 1000586217 /nfs/dbraw/zinc/58/62/17/1000586217.db2.gz AQZWGUJYAVNODL-RTCCRHLQSA-N -1 0 321.381 -0.391 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NCc3cn(C)nn3)CCC2)c1[O-] ZINC001421735697 1000607066 /nfs/dbraw/zinc/60/70/66/1000607066.db2.gz IFBSMVQOLOLXCC-UHFFFAOYSA-N -1 0 319.369 -0.005 20 0 DBADRM CC(C)OCC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001421795478 1000627742 /nfs/dbraw/zinc/62/77/42/1000627742.db2.gz QPDZRIBJHSFVAZ-JTQLQIEISA-N -1 0 313.358 -0.748 20 0 DBADRM CN(CCCN(C)C(=O)Cc1nnc[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001421897652 1000659056 /nfs/dbraw/zinc/65/90/56/1000659056.db2.gz ZGEZUGNRWLARBH-UHFFFAOYSA-N -1 0 308.346 -0.849 20 0 DBADRM CC(C)C[C@H]1C(=O)NCCN1S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001591205525 1016427042 /nfs/dbraw/zinc/42/70/42/1016427042.db2.gz JLAWNXVGSOMPPB-UWVGGRQHSA-N -1 0 306.384 -0.117 20 0 DBADRM CC(=O)N1CCC(NC(=O)CN(C)Cc2n[n-]c(=O)o2)CC1 ZINC001421949359 1000679047 /nfs/dbraw/zinc/67/90/47/1000679047.db2.gz QVCSRCOUUIIDAG-UHFFFAOYSA-N -1 0 311.342 -0.666 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001410271399 1000702711 /nfs/dbraw/zinc/70/27/11/1000702711.db2.gz ASNNGZBULWUUSQ-HXFLIBJXSA-N -1 0 321.337 -0.437 20 0 DBADRM CC(C)CCC(=O)NCC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001591214220 1016433555 /nfs/dbraw/zinc/43/35/55/1016433555.db2.gz USNLTNKFWYDNCZ-UHFFFAOYSA-N -1 0 311.342 -0.355 20 0 DBADRM Cc1nocc1CN(C)CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001422220385 1000769997 /nfs/dbraw/zinc/76/99/97/1000769997.db2.gz ANAISDRDVMQKKE-UHFFFAOYSA-N -1 0 324.341 -0.424 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001422230444 1000772241 /nfs/dbraw/zinc/77/22/41/1000772241.db2.gz NRMBOQWHCIXEQI-ZJUUUORDSA-N -1 0 324.385 -0.555 20 0 DBADRM COC(=O)C(C)(C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591227587 1016439831 /nfs/dbraw/zinc/43/98/31/1016439831.db2.gz TYBIDXBTBFOIAB-ZCFIWIBFSA-N -1 0 308.302 -0.913 20 0 DBADRM CNc1nc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)cs1 ZINC001591222878 1016440719 /nfs/dbraw/zinc/44/07/19/1016440719.db2.gz AROUIMOCZVKXFL-UHFFFAOYSA-N -1 0 320.342 -0.614 20 0 DBADRM CNc1ncccc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591225728 1016441047 /nfs/dbraw/zinc/44/10/47/1016441047.db2.gz VPPZLVLXHUJSFV-UHFFFAOYSA-N -1 0 314.313 -0.675 20 0 DBADRM Cc1ccc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)s1 ZINC001410553500 1000802645 /nfs/dbraw/zinc/80/26/45/1000802645.db2.gz AQOKGTDSZOBETL-MRVPVSSYSA-N -1 0 311.367 -0.239 20 0 DBADRM CC[C@H](C)C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001410557212 1000803536 /nfs/dbraw/zinc/80/35/36/1000803536.db2.gz VHHLPXVTMAHSED-IUCAKERBSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(CC1CCC1)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001410569319 1000808676 /nfs/dbraw/zinc/80/86/76/1000808676.db2.gz WRYWUCFVPJIAPS-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(C[C@H]1CCCCO1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001410582688 1000817226 /nfs/dbraw/zinc/81/72/26/1000817226.db2.gz ACLXHPDFLQIYKT-VHSXEESVSA-N -1 0 313.358 -0.964 20 0 DBADRM O=C(C[C@H]1CCCCO1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001410582677 1000818039 /nfs/dbraw/zinc/81/80/39/1000818039.db2.gz ACLXHPDFLQIYKT-NXEZZACHSA-N -1 0 313.358 -0.964 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2cnsn2)c1[O-] ZINC001410590861 1000822735 /nfs/dbraw/zinc/82/27/35/1000822735.db2.gz KEMUHHRKQGIKLB-MRVPVSSYSA-N -1 0 312.355 -0.844 20 0 DBADRM COC(=O)[C@H](O)C1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001591238170 1016447331 /nfs/dbraw/zinc/44/73/31/1016447331.db2.gz ZJLIHCWCLNOAJQ-SNVBAGLBSA-N -1 0 319.325 -0.593 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3ncc[nH]3)CC2)c1[O-] ZINC001410704826 1000867895 /nfs/dbraw/zinc/86/78/95/1000867895.db2.gz LWYCYUYBYMHBFY-UHFFFAOYSA-N -1 0 304.310 -0.161 20 0 DBADRM CCn1ccc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)c1C ZINC001410718896 1000874254 /nfs/dbraw/zinc/87/42/54/1000874254.db2.gz BXTPPAUIZSHNHJ-SNVBAGLBSA-N -1 0 322.369 -0.479 20 0 DBADRM Cc1oncc1CN[C@@H](CO)CNC(=O)c1c(C)nc[nH]c1=O ZINC001410726277 1000877616 /nfs/dbraw/zinc/87/76/16/1000877616.db2.gz KCTQKMOOQYNRFY-LLVKDONJSA-N -1 0 321.337 -0.332 20 0 DBADRM COC(=O)[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001591235454 1016445836 /nfs/dbraw/zinc/44/58/36/1016445836.db2.gz TXDNAXUBJLLGKQ-POYBYMJQSA-N -1 0 320.313 -0.913 20 0 DBADRM COc1ncc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001422584291 1000921173 /nfs/dbraw/zinc/92/11/73/1000921173.db2.gz MJTOYXDMDKURBO-MRVPVSSYSA-N -1 0 321.341 -0.441 20 0 DBADRM CC(C)(C)C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001410823398 1000923795 /nfs/dbraw/zinc/92/37/95/1000923795.db2.gz PTJZMPXGVOGFPS-UHFFFAOYSA-N -1 0 311.342 -0.500 20 0 DBADRM CCn1nc(C)c(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001422597317 1000926347 /nfs/dbraw/zinc/92/63/47/1000926347.db2.gz DXXCYCBGIGIYHO-MRVPVSSYSA-N -1 0 322.373 -0.320 20 0 DBADRM COC(=O)[C@H]1CCN(Cn2cccc(-c3nnn[n-]3)c2=O)[C@@H]1C ZINC001591252704 1016453445 /nfs/dbraw/zinc/45/34/45/1016453445.db2.gz MGILDWRYHMHCOL-ZJUUUORDSA-N -1 0 318.337 -0.131 20 0 DBADRM C[C@H](NC(=O)C[C@@H]1COC(=O)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001422722445 1000983435 /nfs/dbraw/zinc/98/34/35/1000983435.db2.gz UCDWNQQTXQXGBU-IUCAKERBSA-N -1 0 323.353 -0.600 20 0 DBADRM C[C@@H](NC(=O)[C@]1(C)CCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001422741908 1000992120 /nfs/dbraw/zinc/99/21/20/1000992120.db2.gz CPNGVSMZCNLRPW-YMTOWFKASA-N -1 0 309.370 -0.127 20 0 DBADRM C[C@H](NC(=O)[C@]1(C)CCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001422741870 1000993392 /nfs/dbraw/zinc/99/33/92/1000993392.db2.gz CPNGVSMZCNLRPW-LKFCYVNXSA-N -1 0 309.370 -0.127 20 0 DBADRM CCO[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001422802473 1001013805 /nfs/dbraw/zinc/01/38/05/1001013805.db2.gz AGIJOOPKRRFQNO-XWLWVQCSSA-N -1 0 309.370 -0.271 20 0 DBADRM Cc1ncc(CC(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)o1 ZINC001422830313 1001026346 /nfs/dbraw/zinc/02/63/46/1001026346.db2.gz XGGQZRJBOYEOKC-MRVPVSSYSA-N -1 0 308.342 -0.014 20 0 DBADRM COC(=O)CN(C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)C ZINC001591266765 1016459235 /nfs/dbraw/zinc/45/92/35/1016459235.db2.gz VQICUEHYHAEQHE-QMMMGPOBSA-N -1 0 322.329 -0.571 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)[C@@H]1CC1(C)C ZINC001411166969 1001054367 /nfs/dbraw/zinc/05/43/67/1001054367.db2.gz XPTDZHXVJWIPTK-UWVGGRQHSA-N -1 0 311.386 -0.193 20 0 DBADRM COC(=O)C[C@@H](C)OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591268267 1016462334 /nfs/dbraw/zinc/46/23/34/1016462334.db2.gz JKLPCKILSFYCRQ-RQJHMYQMSA-N -1 0 309.286 -0.486 20 0 DBADRM COC(=O)C[C@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591270349 1016463073 /nfs/dbraw/zinc/46/30/73/1016463073.db2.gz RABDQAZCXSAFMF-BQBZGAKWSA-N -1 0 308.302 -0.913 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)NC(=O)CC1CC1 ZINC001411337202 1001101102 /nfs/dbraw/zinc/10/11/02/1001101102.db2.gz BQQKPWBGMASDCQ-JGVFFNPUSA-N -1 0 311.342 -0.501 20 0 DBADRM C[C@@H](CNC(=O)CC1CC1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001411473017 1001131065 /nfs/dbraw/zinc/13/10/65/1001131065.db2.gz CMHQYYUPAQBDCX-VIFPVBQESA-N -1 0 322.365 -0.137 20 0 DBADRM CC(C)[C@@H](C(=O)N(C)c1nnn[n-]1)N1CCCS1(=O)=O ZINC001411480490 1001132989 /nfs/dbraw/zinc/13/29/89/1001132989.db2.gz QCKUAJGHJDXPMG-QMMMGPOBSA-N -1 0 302.360 -0.777 20 0 DBADRM Cc1cnn(CCC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)c1 ZINC001423154300 1001139223 /nfs/dbraw/zinc/13/92/23/1001139223.db2.gz LPUGWXJBOYONIE-NSHDSACASA-N -1 0 319.369 -0.204 20 0 DBADRM Cn1cncc1CC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001423168939 1001144108 /nfs/dbraw/zinc/14/41/08/1001144108.db2.gz HTZAATBBECYFPN-SECBINFHSA-N -1 0 305.342 -0.823 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2ccnn2C)c1 ZINC001591285244 1016470200 /nfs/dbraw/zinc/47/02/00/1016470200.db2.gz FNTRPHBCUUHJBA-UHFFFAOYSA-N -1 0 315.293 -0.403 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CC2OCCO2)c1 ZINC001591287108 1016470513 /nfs/dbraw/zinc/47/05/13/1016470513.db2.gz WCKJIGYAXRGMPS-UHFFFAOYSA-N -1 0 307.266 -0.812 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2nccn2C)c1 ZINC001591285806 1016470819 /nfs/dbraw/zinc/47/08/19/1016470819.db2.gz PNPUOJGAKWJPLS-UHFFFAOYSA-N -1 0 315.293 -0.403 20 0 DBADRM COC(=O)[C@H]1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001591283930 1016470887 /nfs/dbraw/zinc/47/08/87/1016470887.db2.gz ZYKAIHWTPMIEQA-OLQVQODUSA-N -1 0 321.297 -0.971 20 0 DBADRM COC(=O)c1cnoc1Cn1cc(-c2nnn[n-]2)ccc1=O ZINC001591305487 1016474566 /nfs/dbraw/zinc/47/45/66/1016474566.db2.gz FBCQCRVHQRCIEK-UHFFFAOYSA-N -1 0 302.250 -0.149 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC12CCC2 ZINC001494890736 1016474646 /nfs/dbraw/zinc/47/46/46/1016474646.db2.gz LIOPYQOSBKDWCJ-HTQZYQBOSA-N -1 0 321.337 -0.293 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001591314490 1016474743 /nfs/dbraw/zinc/47/47/43/1016474743.db2.gz BQIDGTZSVFITNU-SECBINFHSA-N -1 0 309.257 -0.278 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CCO)CN(C(=O)C3CCC3)C2)c1[O-] ZINC001411749437 1001214669 /nfs/dbraw/zinc/21/46/69/1001214669.db2.gz QCJDHVRASJRWPY-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM O=C([C@@H]1CCn2ccnc2C1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001411778747 1001223726 /nfs/dbraw/zinc/22/37/26/1001223726.db2.gz POJREZDLPLBMLU-ZJUUUORDSA-N -1 0 303.326 -0.441 20 0 DBADRM CO[C@@](C)(CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001591317077 1016476029 /nfs/dbraw/zinc/47/60/29/1016476029.db2.gz CRLOYIFYQXRCCV-OQPBUACISA-N -1 0 320.357 -0.050 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCCc1ccc(-c2nn[nH]n2)cc1 ZINC001591315768 1016476139 /nfs/dbraw/zinc/47/61/39/1016476139.db2.gz ILIAOZYECLKCCB-JTQLQIEISA-N -1 0 305.294 -0.375 20 0 DBADRM COC(C)(C)CN(C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591316408 1016476249 /nfs/dbraw/zinc/47/62/49/1016476249.db2.gz IQXRKSFQTHUENJ-UHFFFAOYSA-N -1 0 323.361 -0.475 20 0 DBADRM C[C@H](C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C1CCCC1 ZINC001423286266 1001231754 /nfs/dbraw/zinc/23/17/54/1001231754.db2.gz XROUTAGESVSEIR-ONGXEEELSA-N -1 0 311.386 -0.097 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CC1(C)OCCO1 ZINC001411822421 1001232980 /nfs/dbraw/zinc/23/29/80/1001232980.db2.gz QVOOTRNOFYTREH-MRVPVSSYSA-N -1 0 300.315 -0.405 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)O1 ZINC001411884801 1001241963 /nfs/dbraw/zinc/24/19/63/1001241963.db2.gz CZYWSIOQIVEQMS-LLVKDONJSA-N -1 0 318.337 -0.044 20 0 DBADRM O=C(NC[C@H](O)COc1ccccc1)c1n[nH]c(=O)[n-]c1=O ZINC001411895838 1001243052 /nfs/dbraw/zinc/24/30/52/1001243052.db2.gz HSHJZMAVEPGLQX-QMMMGPOBSA-N -1 0 306.278 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](OCc2ccccn2)C1 ZINC001411894991 1001243425 /nfs/dbraw/zinc/24/34/25/1001243425.db2.gz BBTOBCPRVPBFBH-LLVKDONJSA-N -1 0 319.321 -0.098 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)c1[O-] ZINC001411912025 1001248193 /nfs/dbraw/zinc/24/81/93/1001248193.db2.gz IDFKMRDVUGZPJR-RKDXNWHRSA-N -1 0 316.383 -0.129 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001411912191 1001248738 /nfs/dbraw/zinc/24/87/38/1001248738.db2.gz UKOCRXZVVOQOAV-JOYOIKCWSA-N -1 0 318.337 -0.703 20 0 DBADRM CN(C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)[C@@H]1CCNC1=O ZINC001411936693 1001256000 /nfs/dbraw/zinc/25/60/00/1001256000.db2.gz JSHSDKGYKRUMGB-SNVBAGLBSA-N -1 0 317.305 -0.773 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC001411937596 1001256648 /nfs/dbraw/zinc/25/66/48/1001256648.db2.gz OPZFJUOCRTVJKF-VIFPVBQESA-N -1 0 307.314 -0.780 20 0 DBADRM CC(C)CN(CC(N)=O)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001591320372 1016479106 /nfs/dbraw/zinc/47/91/06/1016479106.db2.gz AIUHTZKRMRZCNB-UHFFFAOYSA-N -1 0 315.351 -0.088 20 0 DBADRM CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)CCCc1nnn[n-]1 ZINC001412000631 1001274418 /nfs/dbraw/zinc/27/44/18/1001274418.db2.gz JIDJFMXEKULBPC-ZDUSSCGKSA-N -1 0 313.358 -0.269 20 0 DBADRM COC(=O)[C@]1(NC(=O)CSc2n[nH]c(=O)[n-]2)CCSC1 ZINC001412006969 1001275655 /nfs/dbraw/zinc/27/56/55/1001275655.db2.gz PGKSDPPUHCVQBA-JTQLQIEISA-N -1 0 318.380 -0.233 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001412028654 1001282584 /nfs/dbraw/zinc/28/25/84/1001282584.db2.gz NMRWIDCPXSLZEW-KOLCDFICSA-N -1 0 304.368 -0.616 20 0 DBADRM Cc1noc(C)c1CC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412058319 1001291045 /nfs/dbraw/zinc/29/10/45/1001291045.db2.gz REWISORBDGSAGE-UHFFFAOYSA-N -1 0 306.326 -0.143 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001412086511 1001297125 /nfs/dbraw/zinc/29/71/25/1001297125.db2.gz OYKZIISWIAKUHN-ZDUSSCGKSA-N -1 0 311.342 -0.546 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)c1nc[n-]c(=O)c1Br ZINC001412140595 1001313273 /nfs/dbraw/zinc/31/32/73/1001313273.db2.gz TYAZLWYOQDOBAL-BYPYZUCNSA-N -1 0 303.116 -0.062 20 0 DBADRM CC(C)CN1C[C@H](C(=O)NC2(C(=O)[O-])CC(CO)C2)CC1=O ZINC001591352572 1016486222 /nfs/dbraw/zinc/48/62/22/1016486222.db2.gz VDVASERYVLRGLA-LOIXOFCESA-N -1 0 312.366 -0.167 20 0 DBADRM CN(C)C(=O)NC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001412159659 1001317646 /nfs/dbraw/zinc/31/76/46/1001317646.db2.gz PEEZVQBZFSQQEH-UHFFFAOYSA-N -1 0 310.314 -0.841 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001412182815 1001325631 /nfs/dbraw/zinc/32/56/31/1001325631.db2.gz SKXWXLQVUXTJDF-POBXSPIYSA-N -1 0 302.312 -0.885 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)Cn2cc([C@@H](C)O)nn2)[n-]1 ZINC001412207866 1001332636 /nfs/dbraw/zinc/33/26/36/1001332636.db2.gz KCSNQXDIKKJDJQ-SSDOTTSWSA-N -1 0 308.298 -0.130 20 0 DBADRM CC(=O)N(C)CC(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001423492993 1001342546 /nfs/dbraw/zinc/34/25/46/1001342546.db2.gz KOUJAARBVOAWFZ-UHFFFAOYSA-N -1 0 324.385 -0.541 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)[C@@H]1CC1(F)F ZINC001423499585 1001346696 /nfs/dbraw/zinc/34/66/96/1001346696.db2.gz HYNYNPCYFMWNFT-SFYZADRCSA-N -1 0 319.312 -0.583 20 0 DBADRM COC(OC)[C@@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591333839 1016483124 /nfs/dbraw/zinc/48/31/24/1016483124.db2.gz KDPHNVSKTVSIPV-RNFRBKRXSA-N -1 0 310.318 -0.857 20 0 DBADRM CC(C)C[C@H](NC(=O)CCc1nnn[n-]1)C(=O)N1CCOCC1 ZINC001412272632 1001355752 /nfs/dbraw/zinc/35/57/52/1001355752.db2.gz BQXBUXARUSAIMB-NSHDSACASA-N -1 0 324.385 -0.478 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)c1cc[nH]c1 ZINC001423514380 1001356543 /nfs/dbraw/zinc/35/65/43/1001356543.db2.gz NZHCSGYUBXWKOO-JTQLQIEISA-N -1 0 308.342 -0.597 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)Cc1ccc[nH]1 ZINC001423539956 1001366962 /nfs/dbraw/zinc/36/69/62/1001366962.db2.gz AAUAWCAQVNJGDS-NSHDSACASA-N -1 0 322.369 -0.668 20 0 DBADRM CC(C)CN1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1=O ZINC001591365898 1016489558 /nfs/dbraw/zinc/48/95/58/1016489558.db2.gz FRXOUOYVUQYZPW-JTQLQIEISA-N -1 0 306.384 -0.163 20 0 DBADRM COC[C@H](CCNC(=O)CCCn1c(=O)[n-][nH]c1=O)OC ZINC001412336756 1001369754 /nfs/dbraw/zinc/36/97/54/1001369754.db2.gz SUGOVMGTWLFKFA-VIFPVBQESA-N -1 0 302.331 -0.363 20 0 DBADRM COCC(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001591366830 1016489867 /nfs/dbraw/zinc/48/98/67/1016489867.db2.gz RZEGEWWGWXWLHV-HTQZYQBOSA-N -1 0 306.330 -0.970 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423557923 1001374433 /nfs/dbraw/zinc/37/44/33/1001374433.db2.gz BWYCMCIFYHCNNO-XPTSAGLGSA-N -1 0 324.385 -0.494 20 0 DBADRM COCC(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001591366832 1016490592 /nfs/dbraw/zinc/49/05/92/1016490592.db2.gz RZEGEWWGWXWLHV-SFYZADRCSA-N -1 0 306.330 -0.970 20 0 DBADRM NC(=O)[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC001412380981 1001382062 /nfs/dbraw/zinc/38/20/62/1001382062.db2.gz LVNQHKRUBIRHLL-VIFPVBQESA-N -1 0 307.335 -0.055 20 0 DBADRM COC(=O)[C@H]1C[C@@H](N(C)C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001412384151 1001383088 /nfs/dbraw/zinc/38/30/88/1001383088.db2.gz LCEBLVKCSAUKME-DTORHVGOSA-N -1 0 312.326 -0.121 20 0 DBADRM CCC(=O)NC[C@@H](C1CC1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412386558 1001383501 /nfs/dbraw/zinc/38/35/01/1001383501.db2.gz GTYGNKMINCODOK-VIFPVBQESA-N -1 0 311.342 -0.548 20 0 DBADRM COCC(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001591366831 1016491242 /nfs/dbraw/zinc/49/12/42/1016491242.db2.gz RZEGEWWGWXWLHV-JGVFFNPUSA-N -1 0 306.330 -0.970 20 0 DBADRM COCCN(CCNC(=O)c1cn[nH]c1)Cc1n[nH]c(=O)[n-]1 ZINC001423634692 1001395430 /nfs/dbraw/zinc/39/54/30/1001395430.db2.gz LOCWCBZITHMLKX-UHFFFAOYSA-N -1 0 309.330 -0.888 20 0 DBADRM C[C@H](NC(=O)C1CCCC1)C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001412428893 1001398848 /nfs/dbraw/zinc/39/88/48/1001398848.db2.gz AODDTQXNDOEHGX-ONGXEEELSA-N -1 0 322.369 -0.206 20 0 DBADRM C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001412428886 1001399526 /nfs/dbraw/zinc/39/95/26/1001399526.db2.gz AODDTQXNDOEHGX-MWLCHTKSSA-N -1 0 322.369 -0.206 20 0 DBADRM O=C(c1cnn2c1CCCC2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001412434203 1001400686 /nfs/dbraw/zinc/40/06/86/1001400686.db2.gz UXXTZBKHULKPLP-NSHDSACASA-N -1 0 303.326 -0.054 20 0 DBADRM Cc1noc(C2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)n1 ZINC001412439023 1001402815 /nfs/dbraw/zinc/40/28/15/1001402815.db2.gz BSJYVVKUOQDELA-UHFFFAOYSA-N -1 0 306.282 -0.006 20 0 DBADRM CC(C)CNC(=O)CN1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001591369634 1016492963 /nfs/dbraw/zinc/49/29/63/1016492963.db2.gz UQVLGPWXEUBUNM-VXGBXAGGSA-N -1 0 311.382 -0.473 20 0 DBADRM C[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCS1(=O)=O ZINC001412454827 1001409603 /nfs/dbraw/zinc/40/96/03/1001409603.db2.gz BXJQSWRSDQSITR-ZCFIWIBFSA-N -1 0 306.369 -0.752 20 0 DBADRM CCN1CC[C@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC001412460003 1001411290 /nfs/dbraw/zinc/41/12/90/1001411290.db2.gz MAVOIJOIAGAAMD-LURJTMIESA-N -1 0 305.385 -0.058 20 0 DBADRM CO[C@@H]1CC[C@H]1N(C)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591354455 1016487080 /nfs/dbraw/zinc/48/70/80/1016487080.db2.gz OPVBLFNSTIEOJY-DJLDLDEBSA-N -1 0 306.330 -0.345 20 0 DBADRM CO[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001591357850 1016487660 /nfs/dbraw/zinc/48/76/60/1016487660.db2.gz IZFJVOISJBLHLT-HTQZYQBOSA-N -1 0 321.341 -0.743 20 0 DBADRM O=C(C1CCS(=O)(=O)CC1)N1CCC(c2nnn[n-]2)CC1 ZINC001412490661 1001424243 /nfs/dbraw/zinc/42/42/43/1001424243.db2.gz NURFOYQOJZPZQI-UHFFFAOYSA-N -1 0 313.383 -0.270 20 0 DBADRM CCn1cc(C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)nn1 ZINC001412489898 1001424392 /nfs/dbraw/zinc/42/43/92/1001424392.db2.gz QUWCRQGPGJQOJV-UHFFFAOYSA-N -1 0 304.310 -0.204 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001412492127 1001425742 /nfs/dbraw/zinc/42/57/42/1001425742.db2.gz HQLOIQXKVKIASJ-SNXWAXQRSA-N -1 0 322.365 -0.107 20 0 DBADRM O=C(CCC(=O)N1CCC(c2nnn[n-]2)CC1)N1CCOCC1 ZINC001412497070 1001426801 /nfs/dbraw/zinc/42/68/01/1001426801.db2.gz ZNFHRJYQZWYYCF-UHFFFAOYSA-N -1 0 322.369 -0.455 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H](O)c1cnn(C)c1 ZINC001423771950 1001428004 /nfs/dbraw/zinc/42/80/04/1001428004.db2.gz WFWVEOSDPXGZIO-JTQLQIEISA-N -1 0 324.428 -0.204 20 0 DBADRM CC(C)CNC(=O)CN1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001591369101 1016494134 /nfs/dbraw/zinc/49/41/34/1016494134.db2.gz IUFSJHWIMWGMNG-NEPJUHHUSA-N -1 0 311.382 -0.378 20 0 DBADRM CC(C)CNC(=O)CN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001591369638 1016494187 /nfs/dbraw/zinc/49/41/87/1016494187.db2.gz UTFJMRDAWHFPFX-HNNXBMFYSA-N -1 0 313.398 -0.380 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@H](C)CS(C)(=O)=O ZINC001412532927 1001440877 /nfs/dbraw/zinc/44/08/77/1001440877.db2.gz TWGGQUZBPGEBLQ-SECBINFHSA-N -1 0 303.388 -0.135 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001412538088 1001442058 /nfs/dbraw/zinc/44/20/58/1001442058.db2.gz HAZURTQFOBGRLX-ZETCQYMHSA-N -1 0 304.314 -0.745 20 0 DBADRM CC(C)(CNS(N)(=O)=O)NC(=O)c1cccc(F)c1[O-] ZINC001412541666 1001443507 /nfs/dbraw/zinc/44/35/07/1001443507.db2.gz CTNPZDKWGZPCBT-UHFFFAOYSA-N -1 0 305.331 -0.167 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC001412553201 1001447980 /nfs/dbraw/zinc/44/79/80/1001447980.db2.gz UGBLLBAIBNJARJ-SECBINFHSA-N -1 0 321.341 -0.006 20 0 DBADRM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001412571118 1001453583 /nfs/dbraw/zinc/45/35/83/1001453583.db2.gz INTSCXDSYJKWMT-JGVFFNPUSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@@H](C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)n1cccc1 ZINC001423836420 1001461347 /nfs/dbraw/zinc/46/13/47/1001461347.db2.gz SFCVERWWQYTILC-JTQLQIEISA-N -1 0 320.353 -0.764 20 0 DBADRM C[C@@H](NC(=O)C1CCC1)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001423840501 1001468644 /nfs/dbraw/zinc/46/86/44/1001468644.db2.gz HNOAXSQIWNFUBS-RQJHMYQMSA-N -1 0 309.326 -0.294 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1nnn[n-]1 ZINC001412589248 1001469030 /nfs/dbraw/zinc/46/90/30/1001469030.db2.gz GVYFMDGFKIJKSD-QWRGUYRKSA-N -1 0 322.369 -0.348 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001412589096 1001471583 /nfs/dbraw/zinc/47/15/83/1001471583.db2.gz KEQVRFCXNNHUHV-HTRCEHHLSA-N -1 0 318.289 -0.025 20 0 DBADRM COC[C@H](NC(=O)CCNC(=O)c1cccs1)c1nnn[n-]1 ZINC001412591481 1001474554 /nfs/dbraw/zinc/47/45/54/1001474554.db2.gz JORSGICNIBHCPA-QMMMGPOBSA-N -1 0 324.366 -0.115 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC001423861573 1001483292 /nfs/dbraw/zinc/48/32/92/1001483292.db2.gz ZYLZSWHAUNUJCU-VIIUKITBSA-N -1 0 316.401 -0.749 20 0 DBADRM COC(=O)N1CC(C)(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001412619329 1001499349 /nfs/dbraw/zinc/49/93/49/1001499349.db2.gz SKVMXJCUAGFDDC-UHFFFAOYSA-N -1 0 313.314 -0.574 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2cc(-c3nn[nH]n3)cnn2)C1 ZINC001591386112 1016499740 /nfs/dbraw/zinc/49/97/40/1016499740.db2.gz GIRYLVVKXZRTGY-LBPRGKRZSA-N -1 0 305.298 -0.416 20 0 DBADRM Cc1ccnc(N2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)c1 ZINC001412644025 1001519470 /nfs/dbraw/zinc/51/94/70/1001519470.db2.gz LWKYZGWHRNYKIE-UHFFFAOYSA-N -1 0 318.337 -0.258 20 0 DBADRM O=C(N[C@H]1CC[C@@H](O)[C@@H](O)CC1)c1c[n-]n2c1nccc2=O ZINC001412642289 1001519484 /nfs/dbraw/zinc/51/94/84/1001519484.db2.gz XVPCKZPFAVWZDG-GUDFOSOFSA-N -1 0 306.322 -0.583 20 0 DBADRM CC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)OC(C)(C)C ZINC001412648996 1001520729 /nfs/dbraw/zinc/52/07/29/1001520729.db2.gz XKDNGKPRLPULPO-SSDOTTSWSA-N -1 0 300.315 -0.074 20 0 DBADRM COC[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@H]1CCCOC1 ZINC001591383174 1016502143 /nfs/dbraw/zinc/50/21/43/1016502143.db2.gz XOGPHKOGWXZHNR-VHSXEESVSA-N -1 0 305.342 -0.068 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2cncc(-c3nn[nH]n3)n2)C1 ZINC001591385984 1016502298 /nfs/dbraw/zinc/50/22/98/1016502298.db2.gz FHICGGFJPJOFIN-LBPRGKRZSA-N -1 0 305.298 -0.416 20 0 DBADRM COC(=O)C1(O)CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001412696264 1001534307 /nfs/dbraw/zinc/53/43/07/1001534307.db2.gz WEGYNDQWZSFPQP-UHFFFAOYSA-N -1 0 316.339 -0.871 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOC[C@H]1C[C@@H]1CCCO1 ZINC001412730619 1001545764 /nfs/dbraw/zinc/54/57/64/1001545764.db2.gz AZYANEMDUHNJFD-BDAKNGLRSA-N -1 0 310.310 -0.307 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001424038743 1001552398 /nfs/dbraw/zinc/55/23/98/1001552398.db2.gz JGEZHBSCAMMZKZ-MNOVXSKESA-N -1 0 322.369 -0.788 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)c2c[n-]ncc2=O)CC1 ZINC001412749249 1001555917 /nfs/dbraw/zinc/55/59/17/1001555917.db2.gz ZQQHIQZLYBMIIU-UHFFFAOYSA-N -1 0 300.340 -0.710 20 0 DBADRM COC[C@@H]1CCCN1NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591394695 1016505388 /nfs/dbraw/zinc/50/53/88/1016505388.db2.gz XNVRBFMJSXHMOS-BDAKNGLRSA-N -1 0 321.345 -0.839 20 0 DBADRM CN1Cc2ccccc2[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001412771560 1001569947 /nfs/dbraw/zinc/56/99/47/1001569947.db2.gz HOIAAZFQVCLRQA-LLVKDONJSA-N -1 0 303.322 -0.008 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC[C@@H](O)[C@H](F)C1 ZINC001412777789 1001573812 /nfs/dbraw/zinc/57/38/12/1001573812.db2.gz TUMRZYQBNOEYKO-RKDXNWHRSA-N -1 0 308.269 -0.019 20 0 DBADRM COC[C@H]1CN(Cn2ccc(C)c(-c3nnn[n-]3)c2=O)CCO1 ZINC001591395648 1016506869 /nfs/dbraw/zinc/50/68/69/1016506869.db2.gz HGEAILLIPLCBAC-LLVKDONJSA-N -1 0 320.353 -0.358 20 0 DBADRM Cc1noc(C2(NC(=O)CCCn3c(=O)[n-][nH]c3=O)CC2)n1 ZINC001412793218 1001586258 /nfs/dbraw/zinc/58/62/58/1001586258.db2.gz DROFHFGAXBKFBH-UHFFFAOYSA-N -1 0 308.298 -0.034 20 0 DBADRM CC[C@@](COC)([N-]S(=O)(=O)C[C@@H]1CCOC1)C(=O)OC ZINC001424161061 1001587035 /nfs/dbraw/zinc/58/70/35/1001587035.db2.gz ZQEXCWTXTBHUFM-PWSUYJOCSA-N -1 0 309.384 -0.090 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412812638 1001598235 /nfs/dbraw/zinc/59/82/35/1001598235.db2.gz RZSNBONATAEZJJ-NXEZZACHSA-N -1 0 314.342 -0.220 20 0 DBADRM CN(C)C(=O)CC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001412813513 1001599663 /nfs/dbraw/zinc/59/96/63/1001599663.db2.gz UCRJPSBMFLAYHQ-UHFFFAOYSA-N -1 0 309.326 -0.387 20 0 DBADRM C[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC[S@@](=O)C1 ZINC001412830162 1001608926 /nfs/dbraw/zinc/60/89/26/1001608926.db2.gz PIEDPFXTGDOZMP-AOUSDQRYSA-N -1 0 316.383 -0.304 20 0 DBADRM C[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC[S@](=O)C1 ZINC001412830168 1001608941 /nfs/dbraw/zinc/60/89/41/1001608941.db2.gz PIEDPFXTGDOZMP-BTKVJGODSA-N -1 0 316.383 -0.304 20 0 DBADRM Cc1nc(CS(=O)(=O)[N-]CC(=O)N=S(C)(C)=O)no1 ZINC001424252763 1001610222 /nfs/dbraw/zinc/61/02/22/1001610222.db2.gz SMHMZLIDYKQCAN-UHFFFAOYSA-N -1 0 310.357 -0.948 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001424263008 1001612793 /nfs/dbraw/zinc/61/27/93/1001612793.db2.gz FXRADMQXRPOOGS-UHFFFAOYSA-N -1 0 312.374 -0.731 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001412838675 1001614333 /nfs/dbraw/zinc/61/43/33/1001614333.db2.gz KGGSTAFNSOOHBL-ZETCQYMHSA-N -1 0 315.355 -0.454 20 0 DBADRM COCCCC(=O)NC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001591406248 1016510497 /nfs/dbraw/zinc/51/04/97/1016510497.db2.gz VNEDAQLFILXGSF-SECBINFHSA-N -1 0 320.357 -0.578 20 0 DBADRM CO[C@](C)(CO)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001424302202 1001619561 /nfs/dbraw/zinc/61/95/61/1001619561.db2.gz CRKQDXXEEYNZPA-VIFPVBQESA-N -1 0 300.402 -0.520 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@](C)(CO)OC ZINC001424310020 1001619958 /nfs/dbraw/zinc/61/99/58/1001619958.db2.gz XUGPCXLULPEEEO-VIFPVBQESA-N -1 0 302.418 -0.274 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@](C)(CO)OC ZINC001424310019 1001620733 /nfs/dbraw/zinc/62/07/33/1001620733.db2.gz XUGPCXLULPEEEO-SECBINFHSA-N -1 0 302.418 -0.274 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001412856176 1001623739 /nfs/dbraw/zinc/62/37/39/1001623739.db2.gz PFCBSFQHZXKINQ-IUCAKERBSA-N -1 0 310.383 -0.125 20 0 DBADRM Cn1ccc(=O)c(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)c1 ZINC001412860607 1001624315 /nfs/dbraw/zinc/62/43/15/1001624315.db2.gz VXKYHBVLJYKXCP-SECBINFHSA-N -1 0 306.351 -0.171 20 0 DBADRM Cn1ccc(=O)c(C(=O)N2CCSC[C@H]2c2nnn[n-]2)c1 ZINC001412860611 1001624932 /nfs/dbraw/zinc/62/49/32/1001624932.db2.gz VXKYHBVLJYKXCP-VIFPVBQESA-N -1 0 306.351 -0.171 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@@H](CO)[C@H]1CCOC1 ZINC001412880611 1001633833 /nfs/dbraw/zinc/63/38/33/1001633833.db2.gz IUACVBBCYCOXLM-UWVGGRQHSA-N -1 0 314.342 -0.769 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001412898176 1001639792 /nfs/dbraw/zinc/63/97/92/1001639792.db2.gz IZGBHRMHVSSDPA-UHFFFAOYSA-N -1 0 305.342 -0.477 20 0 DBADRM COCc1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)no1 ZINC001412902411 1001641726 /nfs/dbraw/zinc/64/17/26/1001641726.db2.gz RIHAPGQIQNOAIQ-UHFFFAOYSA-N -1 0 308.298 -0.542 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2CO[C@@H](C3CC3)C2)c(=O)[nH]c1=O ZINC001424449502 1001643597 /nfs/dbraw/zinc/64/35/97/1001643597.db2.gz JSQQELRXAMAFFR-DTWKUNHWSA-N -1 0 315.351 -0.668 20 0 DBADRM COCCN(CCOC)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001591424780 1016515087 /nfs/dbraw/zinc/51/50/87/1016515087.db2.gz RGJVBNQOEDJPRK-UHFFFAOYSA-N -1 0 308.342 -0.419 20 0 DBADRM C[C@]1(O)CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001412920582 1001649930 /nfs/dbraw/zinc/64/99/30/1001649930.db2.gz ODIPANFDXUAMMR-AWEZNQCLSA-N -1 0 304.306 -0.137 20 0 DBADRM C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412937540 1001655293 /nfs/dbraw/zinc/65/52/93/1001655293.db2.gz DHEDROJLMKGCFT-VHSXEESVSA-N -1 0 311.342 -0.989 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)C1(C(=O)OC)CCC1 ZINC001424620355 1001668576 /nfs/dbraw/zinc/66/85/76/1001668576.db2.gz PXHAKQOKIPASGE-VIFPVBQESA-N -1 0 323.367 -0.420 20 0 DBADRM COCCCn1c(=O)c(-c2nnn[n-]2)c(C)n(C2CC2)c1=O ZINC001591418263 1016517412 /nfs/dbraw/zinc/51/74/12/1016517412.db2.gz FJYZMFJTIPMANH-UHFFFAOYSA-N -1 0 306.326 -0.130 20 0 DBADRM O=c1cc(CN2CCC(=O)NCC23COC3)nc2cc[n-]n21 ZINC001413051481 1001691596 /nfs/dbraw/zinc/69/15/96/1001691596.db2.gz VOOPQADXKXLVEP-UHFFFAOYSA-N -1 0 303.322 -0.887 20 0 DBADRM O=C(NC[C@H]1CNC(=O)C1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001413111035 1001700793 /nfs/dbraw/zinc/70/07/93/1001700793.db2.gz BIDHGISDTRYBHG-ZCFIWIBFSA-N -1 0 303.278 -0.698 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1nccc(C(F)(F)F)n1 ZINC001413118507 1001701485 /nfs/dbraw/zinc/70/14/85/1001701485.db2.gz ODXQECKRTCWXLI-UHFFFAOYSA-N -1 0 318.215 -0.186 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(CC(F)F)C1 ZINC001413138299 1001703041 /nfs/dbraw/zinc/70/30/41/1001703041.db2.gz AZCODPISXHFVDK-MRVPVSSYSA-N -1 0 319.312 -0.075 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1cccc(OCC(N)=O)c1 ZINC001413181118 1001707679 /nfs/dbraw/zinc/70/76/79/1001707679.db2.gz KQLWYHXISZXGQF-UHFFFAOYSA-N -1 0 306.278 -0.501 20 0 DBADRM C[C@@H](C(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C)S(C)(=O)=O ZINC001413189377 1001711330 /nfs/dbraw/zinc/71/13/30/1001711330.db2.gz MOQFHUAJVFLPEA-BQBZGAKWSA-N -1 0 305.356 -0.001 20 0 DBADRM COCCNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591432481 1016523844 /nfs/dbraw/zinc/52/38/44/1016523844.db2.gz QGVNGNGWNFHRAR-UHFFFAOYSA-N -1 0 320.309 -0.935 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001424733307 1001766338 /nfs/dbraw/zinc/76/63/38/1001766338.db2.gz GXNPDWGZSZQWOV-GUBZILKMSA-N -1 0 322.369 -0.656 20 0 DBADRM CSCC[C@H](NC(=O)CCn1cnccc1=O)c1nnn[n-]1 ZINC001413294444 1001805544 /nfs/dbraw/zinc/80/55/44/1001805544.db2.gz BESCXWKADMTTBQ-VIFPVBQESA-N -1 0 323.382 -0.243 20 0 DBADRM CCOC(=O)CC1(NS(=O)(=O)CCn2ccnc2)COC1 ZINC001424876981 1001808883 /nfs/dbraw/zinc/80/88/83/1001808883.db2.gz XFCFIIGMWKHNLL-UHFFFAOYSA-N -1 0 317.367 -0.475 20 0 DBADRM O=C(N[C@H]1CCNC1=O)c1nc[n-]c(=O)c1Br ZINC001413322381 1001813984 /nfs/dbraw/zinc/81/39/84/1001813984.db2.gz PFLZGFQTIPDIIN-BYPYZUCNSA-N -1 0 301.100 -0.437 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)c2c[n-]ncc2=O)C1 ZINC001413341586 1001820222 /nfs/dbraw/zinc/82/02/22/1001820222.db2.gz JDCHNDAWUVEICA-QMMMGPOBSA-N -1 0 300.340 -0.664 20 0 DBADRM COC(=O)c1c(NC(=O)CCc2nnn[n-]2)nc2n1CCC2 ZINC001413342951 1001820888 /nfs/dbraw/zinc/82/08/88/1001820888.db2.gz JKSVLNFPMNNNKE-UHFFFAOYSA-N -1 0 305.298 -0.300 20 0 DBADRM Cc1nnsc1C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001425012773 1001827526 /nfs/dbraw/zinc/82/75/26/1001827526.db2.gz XNJUSQWIQDQMBR-ZCFIWIBFSA-N -1 0 311.371 -0.079 20 0 DBADRM O=c1nc(CNS(=O)(=O)C[C@H]2CCC3(CCC3)O2)[n-]o1 ZINC001413365500 1001827951 /nfs/dbraw/zinc/82/79/51/1001827951.db2.gz JWOVKRRAYJVFHE-MRVPVSSYSA-N -1 0 303.340 -0.116 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)C2=COCCO2)c1[O-] ZINC001425040057 1001831777 /nfs/dbraw/zinc/83/17/77/1001831777.db2.gz VXOVNDNBPBTQNQ-QMMMGPOBSA-N -1 0 324.337 -0.111 20 0 DBADRM O=C(c1cc2n(n1)CCC[C@@H]2O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001413384725 1001834219 /nfs/dbraw/zinc/83/42/19/1001834219.db2.gz BYETWLQWRYNAFJ-MNOVXSKESA-N -1 0 319.325 -0.563 20 0 DBADRM COc1cnc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)c(F)c1 ZINC001413390528 1001836116 /nfs/dbraw/zinc/83/61/16/1001836116.db2.gz XSSNINQYPKGRDI-VIFPVBQESA-N -1 0 308.273 -0.044 20 0 DBADRM COC[C@](C)(CO)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001413403674 1001838518 /nfs/dbraw/zinc/83/85/18/1001838518.db2.gz FBYXDLWUSYYVNK-ZDUSSCGKSA-N -1 0 306.326 -0.798 20 0 DBADRM CS(=O)(=O)CC(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001413407791 1001839792 /nfs/dbraw/zinc/83/97/92/1001839792.db2.gz MATJCMPEGIOFBJ-JTQLQIEISA-N -1 0 324.362 -0.045 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CCC1CC1 ZINC001433374354 1001843482 /nfs/dbraw/zinc/84/34/82/1001843482.db2.gz YCMCGHPQJLNVLU-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)CCCC(N)=O)C(=O)[O-] ZINC001591457371 1016529769 /nfs/dbraw/zinc/52/97/69/1016529769.db2.gz GEBZTXFBGOTUAG-VIFPVBQESA-N -1 0 301.343 -0.626 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)C[C@H]1CCC(=O)N1)C(=O)[O-] ZINC001591457244 1016529983 /nfs/dbraw/zinc/52/99/83/1016529983.db2.gz CLXZOPUDGWDBLG-ZJUUUORDSA-N -1 0 313.354 -0.613 20 0 DBADRM O=C(CCn1cncn1)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001413453256 1001850820 /nfs/dbraw/zinc/85/08/20/1001850820.db2.gz JSUMTFCLLJWFFK-UHFFFAOYSA-N -1 0 304.310 -0.447 20 0 DBADRM O=C(NCc1nc2c(c(=O)[nH]1)COCC2)[C@H]1CCNC(=O)CC1 ZINC001413452716 1001850955 /nfs/dbraw/zinc/85/09/55/1001850955.db2.gz CILNJUPCMNKGLN-SECBINFHSA-N -1 0 320.349 -0.213 20 0 DBADRM CCN1C[C@H](C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)CC1=O ZINC001413452790 1001851384 /nfs/dbraw/zinc/85/13/84/1001851384.db2.gz HNZXMYWNFRMJAV-SECBINFHSA-N -1 0 320.349 -0.261 20 0 DBADRM CC[C@@](C)([N-]S(=O)(=O)c1occc1C(=O)OC)C(N)=O ZINC001413456398 1001852365 /nfs/dbraw/zinc/85/23/65/1001852365.db2.gz DJFYIPHSEWXNCV-LLVKDONJSA-N -1 0 304.324 -0.002 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](O)C1CCC1)C(=O)[O-] ZINC001591453510 1016530486 /nfs/dbraw/zinc/53/04/86/1016530486.db2.gz LCMYFCXOXTWXKL-JQWIXIFHSA-N -1 0 300.355 -0.121 20 0 DBADRM O=C(C[C@H]1CCCS(=O)(=O)C1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001413465141 1001855560 /nfs/dbraw/zinc/85/55/60/1001855560.db2.gz CMKOVVYHLOTVGN-ZJUUUORDSA-N -1 0 313.383 -0.270 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC1CC1 ZINC001425162528 1001858735 /nfs/dbraw/zinc/85/87/35/1001858735.db2.gz GLHNGRRBKFIQHG-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CCC1 ZINC001425171281 1001860205 /nfs/dbraw/zinc/86/02/05/1001860205.db2.gz QGCDSBRLHOHRLX-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM CCn1[n-]nnc1=NC(=O)c1ccc(S(C)(=O)=O)s1 ZINC001433478626 1001862956 /nfs/dbraw/zinc/86/29/56/1001862956.db2.gz WWVHNPPVRJGUTA-UHFFFAOYSA-N -1 0 301.353 -0.168 20 0 DBADRM O=C(CNC(=O)NCc1ccco1)NC1(c2nnn[n-]2)CCC1 ZINC001413504858 1001864202 /nfs/dbraw/zinc/86/42/02/1001864202.db2.gz CWANJQZELVYWHT-UHFFFAOYSA-N -1 0 319.325 -0.213 20 0 DBADRM C[C@@H](NC(=O)COCC(F)F)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001425228076 1001871040 /nfs/dbraw/zinc/87/10/40/1001871040.db2.gz MBZCCUVYAAMZET-SSDOTTSWSA-N -1 0 319.312 -0.272 20 0 DBADRM O=C(CCc1nnn[n-]1)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001413533556 1001873011 /nfs/dbraw/zinc/87/30/11/1001873011.db2.gz TZGNOUCYCOMJPN-PBINXNQUSA-N -1 0 313.383 -0.396 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2cn(C)cn2)c1[O-] ZINC001433527667 1001874814 /nfs/dbraw/zinc/87/48/14/1001874814.db2.gz OWTAZNWNRYKDIB-ZETCQYMHSA-N -1 0 306.326 -0.294 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC001413544372 1001875319 /nfs/dbraw/zinc/87/53/19/1001875319.db2.gz UDPIQTFJQZDWCD-SECBINFHSA-N -1 0 310.232 -0.537 20 0 DBADRM CCC(=O)NC[C@H](CO)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001425253004 1001877380 /nfs/dbraw/zinc/87/73/80/1001877380.db2.gz FNCLQXSYIJONKA-SSDOTTSWSA-N -1 0 308.294 -0.455 20 0 DBADRM Cn1nccc1COCC(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001413554154 1001877684 /nfs/dbraw/zinc/87/76/84/1001877684.db2.gz APXMJESZEHQBFJ-LLVKDONJSA-N -1 0 319.369 -0.069 20 0 DBADRM COC[C@H](NC(=O)C[C@H]1CCCS(=O)(=O)C1)c1nnn[n-]1 ZINC001413550317 1001878266 /nfs/dbraw/zinc/87/82/66/1001878266.db2.gz DPPYKXBAWHKABU-BDAKNGLRSA-N -1 0 317.371 -0.782 20 0 DBADRM COC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)c1nnn[n-]1 ZINC001413559445 1001878731 /nfs/dbraw/zinc/87/87/31/1001878731.db2.gz YFSGADVQFKGQIC-IONNQARKSA-N -1 0 308.298 -0.585 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)n(C)c1=O ZINC001413556976 1001879523 /nfs/dbraw/zinc/87/95/23/1001879523.db2.gz GIOXTIJTWDPPLF-SECBINFHSA-N -1 0 305.342 -0.668 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](C(N)=O)[C@H](C)c1ccccc1 ZINC001413566672 1001882117 /nfs/dbraw/zinc/88/21/17/1001882117.db2.gz KLLAROYCVXINAQ-KOLCDFICSA-N -1 0 317.353 -0.106 20 0 DBADRM CCN1CCC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1=O ZINC001433561266 1001884821 /nfs/dbraw/zinc/88/48/21/1001884821.db2.gz DPHMQGMZISFNFO-JTQLQIEISA-N -1 0 318.337 -0.802 20 0 DBADRM CON(C)CCNS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591465426 1016535105 /nfs/dbraw/zinc/53/51/05/1016535105.db2.gz VQKOOTJOHUKJSI-UHFFFAOYSA-N -1 0 313.343 -0.967 20 0 DBADRM C[C@@H](CNC(=O)CCC(F)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001433590125 1001892499 /nfs/dbraw/zinc/89/24/99/1001892499.db2.gz SILVOYSFOWIUEX-LURJTMIESA-N -1 0 321.284 -0.645 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001413629014 1001894437 /nfs/dbraw/zinc/89/44/37/1001894437.db2.gz UKYPHGKXJWJFCX-APPZFPTMSA-N -1 0 305.294 -0.861 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1n[nH]cc1F)C(=O)[O-] ZINC001591463363 1016536745 /nfs/dbraw/zinc/53/67/45/1016536745.db2.gz KDMWGBZMMXXREI-QMMMGPOBSA-N -1 0 300.290 -0.106 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1ccc(C)c(-c2nn[nH]n2)c1 ZINC001591467036 1016537325 /nfs/dbraw/zinc/53/73/25/1016537325.db2.gz HFIIIIDCOKMMQV-UHFFFAOYSA-N -1 0 319.325 -0.348 20 0 DBADRM CCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001413680656 1001923176 /nfs/dbraw/zinc/92/31/76/1001923176.db2.gz USKDWMMDRNGTMP-DTWKUNHWSA-N -1 0 313.358 -0.111 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1=O ZINC001591616604 1016552498 /nfs/dbraw/zinc/55/24/98/1016552498.db2.gz IKDMHBJRHWZLLA-MXWKQRLJSA-N -1 0 313.354 -0.121 20 0 DBADRM CC(C)Cn1nccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001591532989 1016549274 /nfs/dbraw/zinc/54/92/74/1016549274.db2.gz IIYKKQIPXHPNFF-LLVKDONJSA-N -1 0 308.338 -0.046 20 0 DBADRM CC(C)N1C(=O)CN(CN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C1=O ZINC001591605590 1016552572 /nfs/dbraw/zinc/55/25/72/1016552572.db2.gz QUNDSIZLYMGMDR-CQSZACIVSA-N -1 0 324.337 -0.078 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@@H]3CC[C@H]3O)cc2=O)n1 ZINC001413738254 1001980675 /nfs/dbraw/zinc/98/06/75/1001980675.db2.gz SGRCSGRTCCVERN-MWLCHTKSSA-N -1 0 303.322 -0.174 20 0 DBADRM COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N(C)CC(=O)[O-] ZINC001591495789 1016544930 /nfs/dbraw/zinc/54/49/30/1016544930.db2.gz PFGUMZYSKAEVRX-UHFFFAOYSA-N -1 0 321.293 -0.203 20 0 DBADRM O=C(NC[C@@H](CO)Cc1ccccc1)c1n[nH]c(=O)[n-]c1=O ZINC001433722698 1001996272 /nfs/dbraw/zinc/99/62/72/1001996272.db2.gz IHDAQBIOCQFWMJ-JTQLQIEISA-N -1 0 304.306 -0.136 20 0 DBADRM COC(=O)c1ccn(CC(=O)N[C@@H](C)c2nn(C)cc2[O-])n1 ZINC001413764453 1001996780 /nfs/dbraw/zinc/99/67/80/1001996780.db2.gz PKIAFAYQJCPMSB-QMMMGPOBSA-N -1 0 307.310 -0.014 20 0 DBADRM C[C@H](CC[S@@](C)=O)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001433732926 1002001692 /nfs/dbraw/zinc/00/16/92/1002001692.db2.gz KGKZRAMZYHDFEO-ZPWHCFADSA-N -1 0 304.372 -0.257 20 0 DBADRM Cn1ccc(=O)c(C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1 ZINC001413771993 1002002820 /nfs/dbraw/zinc/00/28/20/1002002820.db2.gz WMSXOPPILLJXOH-SNVBAGLBSA-N -1 0 315.333 -0.110 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)CCCc3nnn[n-]3)CC2)[nH]1 ZINC001433736976 1002004282 /nfs/dbraw/zinc/00/42/82/1002004282.db2.gz YQYLAGLOKJEFBB-UHFFFAOYSA-N -1 0 319.373 -0.707 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)CCc2ocnc2C(=O)[O-])C1=O ZINC001591604580 1016553715 /nfs/dbraw/zinc/55/37/15/1016553715.db2.gz YSEUQXGXPLSGJC-QMMMGPOBSA-N -1 0 323.305 -0.043 20 0 DBADRM CC(C)N(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1nnnn1C ZINC001591590897 1016553723 /nfs/dbraw/zinc/55/37/23/1016553723.db2.gz HWUUIUIQYDSLAC-WDEREUQCSA-N -1 0 324.385 -0.353 20 0 DBADRM CC(C)N1C(=O)CN(CN2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C1=O ZINC001591605588 1016553924 /nfs/dbraw/zinc/55/39/24/1016553924.db2.gz QUNDSIZLYMGMDR-AWEZNQCLSA-N -1 0 324.337 -0.078 20 0 DBADRM CC(=O)Nc1ccccc1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001433748406 1002009509 /nfs/dbraw/zinc/00/95/09/1002009509.db2.gz XSVCNFKHDGPRQL-UHFFFAOYSA-N -1 0 305.294 -0.036 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1=O ZINC001591610644 1016554292 /nfs/dbraw/zinc/55/42/92/1016554292.db2.gz OTQRTJXURNKWTB-JFGNBEQYSA-N -1 0 313.354 -0.215 20 0 DBADRM CC(C)N1C[C@H](NS(=O)(=O)CC2(C(=O)[O-])CC2)CC1=O ZINC001591609823 1016554356 /nfs/dbraw/zinc/55/43/56/1016554356.db2.gz ARAGCQNRRWFGSC-SECBINFHSA-N -1 0 304.368 -0.220 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001591641090 1016556377 /nfs/dbraw/zinc/55/63/77/1016556377.db2.gz IKZWMUCOWGQBJT-UHFFFAOYSA-N -1 0 322.365 -0.148 20 0 DBADRM CCCCC(=O)N1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001433772530 1002024148 /nfs/dbraw/zinc/02/41/48/1002024148.db2.gz IRMPRPPRFACWPP-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM CC(C)N1CCN(C(=O)C(=O)Nc2nn(C)cc2C(=O)[O-])CC1 ZINC001591629735 1016556549 /nfs/dbraw/zinc/55/65/49/1016556549.db2.gz ROLNKPDGTNXNKN-UHFFFAOYSA-N -1 0 323.353 -0.391 20 0 DBADRM CCCCC(=O)N1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001433772528 1002025582 /nfs/dbraw/zinc/02/55/82/1002025582.db2.gz IRMPRPPRFACWPP-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM CC(C)NC(=O)CCCC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001591640402 1016556818 /nfs/dbraw/zinc/55/68/18/1016556818.db2.gz VOCAHWUJXYKTMK-MNOVXSKESA-N -1 0 300.355 -0.025 20 0 DBADRM COC(=O)c1cccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001433786880 1002029436 /nfs/dbraw/zinc/02/94/36/1002029436.db2.gz DUNUMYXQQPHMMF-UHFFFAOYSA-N -1 0 306.278 -0.208 20 0 DBADRM CC(C)N1CCC[C@H](N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1=O ZINC001591624563 1016557393 /nfs/dbraw/zinc/55/73/93/1016557393.db2.gz PQQUFFLYNZPFAZ-QWRGUYRKSA-N -1 0 318.395 -0.431 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1NC(=O)C[C@@H]1c1ccccc1 ZINC001413829872 1002031221 /nfs/dbraw/zinc/03/12/21/1002031221.db2.gz RFRGZMBRFQSWFO-MRVPVSSYSA-N -1 0 301.262 -0.099 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1=O ZINC001433795506 1002034528 /nfs/dbraw/zinc/03/45/28/1002034528.db2.gz KWQLKKNVUZNPSP-BBBLOLIVSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(C)N1CC[C@@H](N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1=O ZINC001591617060 1016558242 /nfs/dbraw/zinc/55/82/42/1016558242.db2.gz VGSLBRMCFPMCTI-WDEREUQCSA-N -1 0 318.395 -0.431 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)CNc1ccccc1C(N)=O ZINC001413842414 1002039196 /nfs/dbraw/zinc/03/91/96/1002039196.db2.gz PJFLANNVYUGOBC-UHFFFAOYSA-N -1 0 305.294 -0.055 20 0 DBADRM CC(C)NC(=O)CNC(=S)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001591645237 1016559123 /nfs/dbraw/zinc/55/91/23/1016559123.db2.gz QVSRLDWZCCRERR-RKDXNWHRSA-N -1 0 303.384 -0.847 20 0 DBADRM COc1ncc(Cn2cncc(-c3nnn[n-]3)c2=O)c(C)n1 ZINC001591663919 1016559305 /nfs/dbraw/zinc/55/93/05/1016559305.db2.gz ZUCHHRZOMXIECB-UHFFFAOYSA-N -1 0 300.282 -0.421 20 0 DBADRM Cn1nccc1[C@@H](O)C1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC001413866641 1002047868 /nfs/dbraw/zinc/04/78/68/1002047868.db2.gz PNANOGLXKQMMIO-JTQLQIEISA-N -1 0 306.326 -0.170 20 0 DBADRM CCOC(=O)[C@H](CO)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001433828666 1002054036 /nfs/dbraw/zinc/05/40/36/1002054036.db2.gz VEHNQBHXWWVEDH-NSHDSACASA-N -1 0 313.354 -0.585 20 0 DBADRM CC(C)NC(=O)CN1CCC2(CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)C1 ZINC001591645169 1016561504 /nfs/dbraw/zinc/56/15/04/1016561504.db2.gz NZDYANBQNNVCHO-NEPJUHHUSA-N -1 0 323.393 -0.234 20 0 DBADRM O=C(NCC1(NC(=O)c2cnc[nH]c2=O)CC1)c1ccon1 ZINC001433842882 1002064613 /nfs/dbraw/zinc/06/46/13/1002064613.db2.gz LONGTRKEAVTLGL-UHFFFAOYSA-N -1 0 303.278 -0.137 20 0 DBADRM CS(=O)(=O)CC1(Cn2cnc(-c3nnn[n-]3)cc2=O)CC1 ZINC001591673255 1016562936 /nfs/dbraw/zinc/56/29/36/1016562936.db2.gz PSHBZDYMUIMISG-UHFFFAOYSA-N -1 0 310.339 -0.752 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001591666639 1016563646 /nfs/dbraw/zinc/56/36/46/1016563646.db2.gz LPMXPZNZSOJMAY-UHFFFAOYSA-N -1 0 318.355 -0.725 20 0 DBADRM COc1nnccc1NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591670307 1016564441 /nfs/dbraw/zinc/56/44/41/1016564441.db2.gz FGOUKWXKFRVWNG-LURJTMIESA-N -1 0 316.285 -0.544 20 0 DBADRM O=C(CCCc1nnn[n-]1)Nc1ccc(C(=O)NCCO)cc1 ZINC001433877212 1002088740 /nfs/dbraw/zinc/08/87/40/1002088740.db2.gz XEYPKKUDNKYGPL-UHFFFAOYSA-N -1 0 318.337 -0.117 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCC1CCS(=O)(=O)CC1 ZINC001433877787 1002089239 /nfs/dbraw/zinc/08/92/39/1002089239.db2.gz LDGRMXOSXWKZJK-UHFFFAOYSA-N -1 0 320.396 -0.457 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)CCCc2nnn[n-]2)C1 ZINC001433891595 1002097971 /nfs/dbraw/zinc/09/79/71/1002097971.db2.gz QJIRLIWKORZSHV-VIFPVBQESA-N -1 0 301.372 -0.442 20 0 DBADRM CNC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001433902107 1002102261 /nfs/dbraw/zinc/10/22/61/1002102261.db2.gz AYSIBFZHYBYHCP-SNVBAGLBSA-N -1 0 319.321 -0.837 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001433905921 1002104510 /nfs/dbraw/zinc/10/45/10/1002104510.db2.gz KSCMSLVWKMQTLM-MRVPVSSYSA-N -1 0 318.355 -0.885 20 0 DBADRM Cc1cccc2ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n21 ZINC001433903554 1002104666 /nfs/dbraw/zinc/10/46/66/1002104666.db2.gz HUYLKMFJGHAHLD-UHFFFAOYSA-N -1 0 324.362 -0.162 20 0 DBADRM CS[C@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001591693322 1016574733 /nfs/dbraw/zinc/57/47/33/1016574733.db2.gz JXIJPMKDGRNQFG-ZETCQYMHSA-N -1 0 323.382 -0.794 20 0 DBADRM C[C@H](C(=O)N1CCSC[C@@H]1c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001433927546 1002118973 /nfs/dbraw/zinc/11/89/73/1002118973.db2.gz ZEWSOISXAIPGFO-XHNCKOQMSA-N -1 0 310.383 -0.269 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001433932485 1002121855 /nfs/dbraw/zinc/12/18/55/1002121855.db2.gz VABQTEGKJGFHNJ-INTQDDNPSA-N -1 0 322.369 -0.819 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001433932487 1002122114 /nfs/dbraw/zinc/12/21/14/1002122114.db2.gz VABQTEGKJGFHNJ-LSJOCFKGSA-N -1 0 322.369 -0.819 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001433932484 1002122497 /nfs/dbraw/zinc/12/24/97/1002122497.db2.gz VABQTEGKJGFHNJ-GDPRMGEGSA-N -1 0 322.369 -0.819 20 0 DBADRM CC(C)O[C@@]1(CS(=O)(=O)N[C@@H](CF)C(=O)[O-])CCOC1 ZINC001591694722 1016571871 /nfs/dbraw/zinc/57/18/71/1016571871.db2.gz ANZBYPMRZUSIRI-ONGXEEELSA-N -1 0 313.347 -0.087 20 0 DBADRM CS(=O)(=O)c1cccc(Cn2cc(-c3nnn[n-]3)nn2)c1 ZINC001591681779 1016572391 /nfs/dbraw/zinc/57/23/91/1016572391.db2.gz NSKJEWCYLPHXAP-UHFFFAOYSA-N -1 0 305.323 -0.090 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001433939803 1002127273 /nfs/dbraw/zinc/12/72/73/1002127273.db2.gz ZEHGGHYLKVSCCQ-UHFFFAOYSA-N -1 0 310.358 -0.828 20 0 DBADRM CC1(C)OC[C@@H]2C[C@@]21C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001433937908 1002127350 /nfs/dbraw/zinc/12/73/50/1002127350.db2.gz YXRUBCHZQGNBEJ-XPTSAGLGSA-N -1 0 307.354 -0.175 20 0 DBADRM CC1(CC(=O)NCC2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)CC1 ZINC001433945459 1002128315 /nfs/dbraw/zinc/12/83/15/1002128315.db2.gz QPYHVIKTERJRFL-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cn(C2CCOCC2)nn1 ZINC001433959022 1002134620 /nfs/dbraw/zinc/13/46/20/1002134620.db2.gz CWFQAAAIJWCEGN-UHFFFAOYSA-N -1 0 308.298 -0.722 20 0 DBADRM NC(=O)[C@H](O)CNC(=O)c1cc(Br)cc(F)c1[O-] ZINC001433959341 1002135268 /nfs/dbraw/zinc/13/52/68/1002135268.db2.gz XDNOLDNDKUJDPA-SSDOTTSWSA-N -1 0 321.102 -0.130 20 0 DBADRM NC(=O)[C@@H](O)CNC(=O)c1cc(Br)cc(F)c1[O-] ZINC001433959362 1002135419 /nfs/dbraw/zinc/13/54/19/1002135419.db2.gz XDNOLDNDKUJDPA-ZETCQYMHSA-N -1 0 321.102 -0.130 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)C2CC3(CC3)C2)c1[O-] ZINC001425504932 1002139850 /nfs/dbraw/zinc/13/98/50/1002139850.db2.gz VIOZIJDULWQEOA-JTQLQIEISA-N -1 0 322.365 -0.179 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001591679153 1016574221 /nfs/dbraw/zinc/57/42/21/1016574221.db2.gz SNCMYVNLFFFZBE-MRVPVSSYSA-N -1 0 324.370 -0.825 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3ncccn3)CC2)c1[O-] ZINC001433972680 1002144397 /nfs/dbraw/zinc/14/43/97/1002144397.db2.gz GVMSTULHXJOQMB-UHFFFAOYSA-N -1 0 316.321 -0.094 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC001433977508 1002146009 /nfs/dbraw/zinc/14/60/09/1002146009.db2.gz ACBCZZCQAMIKFE-RITPCOANSA-N -1 0 322.243 -0.084 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC001433977509 1002146861 /nfs/dbraw/zinc/14/68/61/1002146861.db2.gz ACBCZZCQAMIKFE-WDSKDSINSA-N -1 0 322.243 -0.084 20 0 DBADRM CCCCC(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001414045101 1002155598 /nfs/dbraw/zinc/15/55/98/1002155598.db2.gz UQNAUKIDLPDVLC-ZJUUUORDSA-N -1 0 310.354 -0.085 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CCn1cnccc1=O ZINC001591703976 1016577456 /nfs/dbraw/zinc/57/74/56/1016577456.db2.gz JDEIIVGBRJBNHZ-LLVKDONJSA-N -1 0 311.338 -0.030 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CS(=O)(=O)C1CC1 ZINC001591705350 1016577477 /nfs/dbraw/zinc/57/74/77/1016577477.db2.gz WEBBKHQVEXUPGP-JTQLQIEISA-N -1 0 307.368 -0.100 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1ncc(C(F)(F)F)cn1 ZINC001434006612 1002164278 /nfs/dbraw/zinc/16/42/78/1002164278.db2.gz LWNMBBRKXIEGJY-UHFFFAOYSA-N -1 0 318.215 -0.186 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001434006701 1002164874 /nfs/dbraw/zinc/16/48/74/1002164874.db2.gz SVEUJRSZUNVQNJ-HTQZYQBOSA-N -1 0 321.337 -0.293 20 0 DBADRM CSCCO[N-]C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)n1 ZINC001591701531 1016577816 /nfs/dbraw/zinc/57/78/16/1016577816.db2.gz UPOYEQMONCHFCY-UHFFFAOYSA-N -1 0 323.338 -0.389 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)O)cc1-c1nnn[n-]1 ZINC001591704955 1016577985 /nfs/dbraw/zinc/57/79/85/1016577985.db2.gz VCYTVWAYDIJYLC-RXMQYKEDSA-N -1 0 310.339 -0.200 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@@H](O)C2)cc1-c1nnn[n-]1 ZINC001591705624 1016578638 /nfs/dbraw/zinc/57/86/38/1016578638.db2.gz JEFBUOREJMLBQY-OLQVQODUSA-N -1 0 322.350 -0.058 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)C1CCC1 ZINC001591725722 1016580171 /nfs/dbraw/zinc/58/01/71/1016580171.db2.gz CDGPCMVSFNUYHI-QMMMGPOBSA-N -1 0 302.342 -0.205 20 0 DBADRM CC(C)OCCNC(=O)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001591724934 1016580887 /nfs/dbraw/zinc/58/08/87/1016580887.db2.gz OGDVVGJYQQQBID-SNVBAGLBSA-N -1 0 318.395 -0.196 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001434043564 1002187665 /nfs/dbraw/zinc/18/76/65/1002187665.db2.gz SPIXGZNSNBEMEI-DMTCNVIQSA-N -1 0 309.204 -0.926 20 0 DBADRM CC(C)OCCOC[C@@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001591726460 1016581209 /nfs/dbraw/zinc/58/12/09/1016581209.db2.gz WNPXZORQHJNCCM-SDDRHHMPSA-N -1 0 303.355 -0.032 20 0 DBADRM Cc1nc(C)c(CC(=O)NC[C@H](O)Cn2ccnn2)c(=O)[nH]1 ZINC001434054743 1002202388 /nfs/dbraw/zinc/20/23/88/1002202388.db2.gz HFWQZXBVNUNCPX-JTQLQIEISA-N -1 0 306.326 -0.890 20 0 DBADRM CC(C)OCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001591726565 1016583430 /nfs/dbraw/zinc/58/34/30/1016583430.db2.gz FUCRUUZAVYHDES-SNVBAGLBSA-N -1 0 322.383 -0.594 20 0 DBADRM CC(C)OCCS(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001591726809 1016584475 /nfs/dbraw/zinc/58/44/75/1016584475.db2.gz PMDKGSHGLRAXBX-SECBINFHSA-N -1 0 311.356 -0.453 20 0 DBADRM CN1CC2(CN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C2)OC1=O ZINC001434098272 1002250531 /nfs/dbraw/zinc/25/05/31/1002250531.db2.gz FPBKAUBTLQVJEI-UHFFFAOYSA-N -1 0 311.298 -0.868 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(C[C@H]2CCO[C@H]2C)c(=O)n1C ZINC001591793788 1016592521 /nfs/dbraw/zinc/59/25/21/1016592521.db2.gz JBTNIBBYYJIVMD-DTWKUNHWSA-N -1 0 306.326 -0.539 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)Cc1noc(C2CC2)n1)C(=O)OC ZINC001414224939 1002261604 /nfs/dbraw/zinc/26/16/04/1002261604.db2.gz AHGZHABFEJYXNN-QMMMGPOBSA-N -1 0 319.339 -0.446 20 0 DBADRM CCN1C(=O)N=NC1C1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001434120937 1002272920 /nfs/dbraw/zinc/27/29/20/1002272920.db2.gz PBXVCSNIYGUPGL-UHFFFAOYSA-N -1 0 320.357 -0.145 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2noc(C)n2)CCSC1 ZINC001414243697 1002280549 /nfs/dbraw/zinc/28/05/49/1002280549.db2.gz USYPWPRXZXVESB-SNVBAGLBSA-N -1 0 321.380 -0.154 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)Cc2noc(C)n2)CCSC1 ZINC001414243693 1002282101 /nfs/dbraw/zinc/28/21/01/1002282101.db2.gz USYPWPRXZXVESB-JTQLQIEISA-N -1 0 321.380 -0.154 20 0 DBADRM CC(C)(C)[C@H](O)C[C@H](CO)[N-]S(=O)(=O)N=S(C)(C)=O ZINC001414254318 1002289011 /nfs/dbraw/zinc/28/90/11/1002289011.db2.gz ABMYOQAZVVOESO-RKDXNWHRSA-N -1 0 316.445 -0.294 20 0 DBADRM CC(C)Oc1cncc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001591810129 1016597501 /nfs/dbraw/zinc/59/75/01/1016597501.db2.gz SVHIFJXRAZAXFZ-SECBINFHSA-N -1 0 318.351 -0.017 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC001414266197 1002293632 /nfs/dbraw/zinc/29/36/32/1002293632.db2.gz PVXACQFJRRWFNF-UHFFFAOYSA-N -1 0 312.373 -0.752 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001591845851 1016599801 /nfs/dbraw/zinc/59/98/01/1016599801.db2.gz CIOBXDLUYUBXHB-FXPVBKGRSA-N -1 0 308.338 -0.327 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1COC[C@H]1OC ZINC001414279229 1002304182 /nfs/dbraw/zinc/30/41/82/1002304182.db2.gz LHPAOPDWANWKQX-NKWVEPMBSA-N -1 0 322.364 -0.378 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC001591836167 1016599965 /nfs/dbraw/zinc/59/99/65/1016599965.db2.gz DKKBEOCWWIPFAZ-LJGSYFOKSA-N -1 0 317.309 -0.731 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NC[C@H]1COCCO1 ZINC001591835989 1016600770 /nfs/dbraw/zinc/60/07/70/1016600770.db2.gz RUDKARFYEJKTAX-QMMMGPOBSA-N -1 0 320.309 -0.579 20 0 DBADRM CC(C)[C@@H](O)C(=O)NC[C@@H](Nc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001591845825 1016600924 /nfs/dbraw/zinc/60/09/24/1016600924.db2.gz AZMPIEUKYLCMEP-ZYHUDNBSSA-N -1 0 322.365 -0.080 20 0 DBADRM CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001591853397 1016601124 /nfs/dbraw/zinc/60/11/24/1016601124.db2.gz AKOBOODHPZBWTR-QJPTWQEYSA-N -1 0 312.366 -0.169 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CC[C@H]1C(=O)[O-] ZINC001591843748 1016601335 /nfs/dbraw/zinc/60/13/35/1016601335.db2.gz BGTBEGNEDHYPNA-VHSXEESVSA-N -1 0 304.368 -0.222 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001591846526 1016601422 /nfs/dbraw/zinc/60/14/22/1016601422.db2.gz QTSGKPDIIQYIKY-GHMZBOCLSA-N -1 0 308.338 -0.113 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N[C@@H](CO)c1cccnc1 ZINC001414310907 1002316458 /nfs/dbraw/zinc/31/64/58/1002316458.db2.gz RLTRGSDGJKIENW-APBUJDDRSA-N -1 0 322.412 -0.476 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001591845862 1016601825 /nfs/dbraw/zinc/60/18/25/1016601825.db2.gz DDCGVRRSWCBITK-MWLCHTKSSA-N -1 0 308.338 -0.113 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCC(=O)NC1CC1 ZINC001591835535 1016601876 /nfs/dbraw/zinc/60/18/76/1016601876.db2.gz DIPHYXWJKNHMBF-UHFFFAOYSA-N -1 0 317.309 -0.716 20 0 DBADRM CCO[C@H]1C[C@H](NS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001414309793 1002317804 /nfs/dbraw/zinc/31/78/04/1002317804.db2.gz QVHBPSVIHZNZLK-ZKCHVHJHSA-N -1 0 303.340 -0.668 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)n1 ZINC001414327723 1002327567 /nfs/dbraw/zinc/32/75/67/1002327567.db2.gz FQGIINKRNLVJET-UHFFFAOYSA-N -1 0 310.295 -0.658 20 0 DBADRM CCC(=O)N1CC[C@](C)(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001434224394 1002330135 /nfs/dbraw/zinc/33/01/35/1002330135.db2.gz VKDKQQSYCAYHHM-CYBMUJFWSA-N -1 0 311.342 -0.546 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@@H]1CCNC(=O)CC1)C(=O)[O-] ZINC001591877616 1016608640 /nfs/dbraw/zinc/60/86/40/1016608640.db2.gz GJFVOAWSNNCBSV-CABZTGNLSA-N -1 0 314.338 -0.329 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCN(c2ncc[nH]2)CC1)C(=O)[O-] ZINC001591870069 1016605401 /nfs/dbraw/zinc/60/54/01/1016605401.db2.gz HSTHFEIGRJQGFW-LBPRGKRZSA-N -1 0 309.370 -0.243 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC[C@@H]1c1nc(=N)n(C)[nH]1)C(=O)[O-] ZINC001591868619 1016605457 /nfs/dbraw/zinc/60/54/57/1016605457.db2.gz XRBPZQLPJNNGCC-KOLCDFICSA-N -1 0 324.385 -0.410 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC001591872099 1016605606 /nfs/dbraw/zinc/60/56/06/1016605606.db2.gz MRSGLAKRHRVXFC-KWQFWETISA-N -1 0 300.311 -0.767 20 0 DBADRM O=C(CCC(F)(F)F)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001425736109 1002349658 /nfs/dbraw/zinc/34/96/58/1002349658.db2.gz QJNQPEKWHPSXEU-ZCFIWIBFSA-N -1 0 311.264 -0.581 20 0 DBADRM CCOC(=O)CC1([N-]S(=O)(=O)N=S(C)(C)=O)COC1 ZINC001414368755 1002352363 /nfs/dbraw/zinc/35/23/63/1002352363.db2.gz LCVLRWDAGLQSPX-UHFFFAOYSA-N -1 0 314.385 -0.729 20 0 DBADRM COc1ccccc1[C@@H](O)C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001434273996 1002352634 /nfs/dbraw/zinc/35/26/34/1002352634.db2.gz ILKMOPAYCQQYJS-ZYHUDNBSSA-N -1 0 319.321 -0.158 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccoc1Cl ZINC001425737659 1002352536 /nfs/dbraw/zinc/35/25/36/1002352536.db2.gz POVCBOTWQYCQCY-LURJTMIESA-N -1 0 315.717 -0.363 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)C[C@H]1COC(=O)C1)C(=O)[O-] ZINC001591878352 1016608032 /nfs/dbraw/zinc/60/80/32/1016608032.db2.gz LGDCXFSZSRWVLD-UFBFGSQYSA-N -1 0 301.295 -0.292 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CC[C@@H](O)[C@@H](O)C1 ZINC001434289637 1002359866 /nfs/dbraw/zinc/35/98/66/1002359866.db2.gz BRPXDMSFWQUQFN-MNOVXSKESA-N -1 0 305.290 -0.402 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N(C)CC(=O)NCc1ccccc1 ZINC001425750093 1002372002 /nfs/dbraw/zinc/37/20/02/1002372002.db2.gz GVRRBFRBWXZDRN-UHFFFAOYSA-N -1 0 317.353 -0.105 20 0 DBADRM Cc1cc(CN(C)C(=O)Cn2cnc(-c3nnn[n-]3)n2)no1 ZINC001591960829 1016619659 /nfs/dbraw/zinc/61/96/59/1016619659.db2.gz ANYDGDLMRPEPBV-UHFFFAOYSA-N -1 0 303.286 -0.587 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NC[C@@]2(OCCO)CCOC2)n1 ZINC001591895018 1016611616 /nfs/dbraw/zinc/61/16/16/1016611616.db2.gz MKFKUFWDMHLXTO-ZDUSSCGKSA-N -1 0 321.341 -0.455 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N[C@H]2CCC(=O)N(C)C2=O)n1 ZINC001591892815 1016611635 /nfs/dbraw/zinc/61/16/35/1016611635.db2.gz PKJNBLNAEBEZEK-ZETCQYMHSA-N -1 0 302.298 -0.476 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC1(C2(O)CCOCC2)CC1 ZINC001414447876 1002376103 /nfs/dbraw/zinc/37/61/03/1002376103.db2.gz XYTCWPJUVUDBLE-UHFFFAOYSA-N -1 0 310.358 -0.442 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC001414447477 1002376263 /nfs/dbraw/zinc/37/62/63/1002376263.db2.gz SKXLSTFFGNHPSU-LURJTMIESA-N -1 0 319.251 -0.369 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2C[C@](C)(CO)[C@](C)(CO)C2)n1 ZINC001591890757 1016612178 /nfs/dbraw/zinc/61/21/78/1016612178.db2.gz LVFNBKNEHDJALH-OKILXGFUSA-N -1 0 319.369 -0.218 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NCCC2CS(=O)(=O)C2)n1 ZINC001591895900 1016612560 /nfs/dbraw/zinc/61/25/60/1016612560.db2.gz YAVMUXAUIKOGJH-UHFFFAOYSA-N -1 0 309.355 -0.188 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CC[N@H+](CCO)[C@H](C)C2)n1 ZINC001591887373 1016612694 /nfs/dbraw/zinc/61/26/94/1016612694.db2.gz GVJPVIHXVHVAHM-SNVBAGLBSA-N -1 0 304.358 -0.532 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCC(NC(N)=O)CC2)n1 ZINC001591887041 1016613205 /nfs/dbraw/zinc/61/32/05/1016613205.db2.gz WSOMFKYIACRNIL-UHFFFAOYSA-N -1 0 303.330 -0.398 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1 ZINC001591888281 1016613535 /nfs/dbraw/zinc/61/35/35/1016613535.db2.gz ODSUDZOXDWKZGL-BDAKNGLRSA-N -1 0 316.325 -0.100 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC001425764566 1002395200 /nfs/dbraw/zinc/39/52/00/1002395200.db2.gz VDKACEDNFCVBAB-VIFPVBQESA-N -1 0 308.346 -0.864 20 0 DBADRM O=C(NC[C@@H](CO)NCc1nccs1)c1cnc[nH]c1=O ZINC001425767446 1002398265 /nfs/dbraw/zinc/39/82/65/1002398265.db2.gz FLZRGSNSZSZVFU-QMMMGPOBSA-N -1 0 309.351 -0.481 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001591905223 1016616105 /nfs/dbraw/zinc/61/61/05/1016616105.db2.gz BGTLPRUYFBPKHA-AMUVOQDHSA-N -1 0 306.384 -0.070 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccnc(C(=O)[O-])n1 ZINC001591905564 1016616675 /nfs/dbraw/zinc/61/66/75/1016616675.db2.gz ZQAPJKBZJJPWHE-QMMMGPOBSA-N -1 0 316.339 -0.313 20 0 DBADRM COC(=O)[C@@H](Cc1cncs1)NC(=O)CCc1nnn[n-]1 ZINC001434351378 1002408917 /nfs/dbraw/zinc/40/89/17/1002408917.db2.gz UMKYYXOSYRYXSG-MRVPVSSYSA-N -1 0 310.339 -0.511 20 0 DBADRM CC(C)[C@H](O)C(=O)N1[C@H](C(=O)NCCC(=O)[O-])CS[C@H]1C ZINC001591905206 1016617137 /nfs/dbraw/zinc/61/71/37/1016617137.db2.gz AHBQZTPGLBVZKR-QXEWZRGKSA-N -1 0 318.395 -0.116 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)NC1(c2nnn[n-]2)CCC1 ZINC001434359306 1002414276 /nfs/dbraw/zinc/41/42/76/1002414276.db2.gz GDQGUWWBSDVHHC-SSDOTTSWSA-N -1 0 302.360 -0.977 20 0 DBADRM O=C(C[C@H]1CCCS(=O)(=O)C1)NC1(c2nnn[n-]2)CCC1 ZINC001434363077 1002415679 /nfs/dbraw/zinc/41/56/79/1002415679.db2.gz XNHHFLBLFZBYNJ-SECBINFHSA-N -1 0 313.383 -0.090 20 0 DBADRM COC[C@H](NC(=O)Cc1ccc([S@@](C)=O)cc1)c1nnn[n-]1 ZINC001434364206 1002417197 /nfs/dbraw/zinc/41/71/97/1002417197.db2.gz QGFVNRRBCRKDHZ-KPWVOAKYSA-N -1 0 323.378 -0.017 20 0 DBADRM Cc1ccc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)nc1C ZINC001425777374 1002417782 /nfs/dbraw/zinc/41/77/82/1002417782.db2.gz LURYUSYWAPKZIG-JTQLQIEISA-N -1 0 320.353 -0.597 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[C@@H](NC(=O)c3cc(=O)n(C)[n-]3)C2)n1 ZINC001434364417 1002417665 /nfs/dbraw/zinc/41/76/65/1002417665.db2.gz HXUPNQPXOLEOGR-SECBINFHSA-N -1 0 318.337 -0.062 20 0 DBADRM Cc1cc(C)c(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)[nH]1 ZINC001591946353 1016620907 /nfs/dbraw/zinc/62/09/07/1016620907.db2.gz DIQZFKPIRCVEAN-UHFFFAOYSA-N -1 0 301.314 -0.167 20 0 DBADRM Cc1cc(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)on1 ZINC001591965592 1016621367 /nfs/dbraw/zinc/62/13/67/1016621367.db2.gz XUUNZCVZCQOPQC-SSDOTTSWSA-N -1 0 303.286 -0.368 20 0 DBADRM COC[C@H](OC)C(=O)N1CC[C@@H](NC(=O)c2ncccc2O)C1 ZINC001414568740 1002439905 /nfs/dbraw/zinc/43/99/05/1002439905.db2.gz SVJGCZPAXWWOMD-PWSUYJOCSA-N -1 0 323.349 -0.221 20 0 DBADRM CCC[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)OC ZINC001434397471 1002445787 /nfs/dbraw/zinc/44/57/87/1002445787.db2.gz YBGHUXDJWJZTGO-MRVPVSSYSA-N -1 0 300.315 -0.073 20 0 DBADRM CCN(CCC(=O)NC)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001434402981 1002452108 /nfs/dbraw/zinc/45/21/08/1002452108.db2.gz BDMMESFBDQEMFL-UHFFFAOYSA-N -1 0 317.353 -0.327 20 0 DBADRM Cc1cc(NC(=O)Cn2cncc(-c3nnn[n-]3)c2=O)no1 ZINC001592019372 1016623168 /nfs/dbraw/zinc/62/31/68/1016623168.db2.gz JSTVYKMKXYFIFE-UHFFFAOYSA-N -1 0 302.254 -0.641 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)C[C@@H]2CCCS2(=O)=O)n[n-]1 ZINC001434428635 1002465953 /nfs/dbraw/zinc/46/59/53/1002465953.db2.gz SBYAJIMCMZAQEK-LURJTMIESA-N -1 0 322.368 -0.886 20 0 DBADRM CC(C)c1nnc(CN2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]1 ZINC001592019420 1016625433 /nfs/dbraw/zinc/62/54/33/1016625433.db2.gz DOSQPFORUCBAGC-VHSXEESVSA-N -1 0 307.354 -0.051 20 0 DBADRM Cc1cc(NC(=O)Cn2ccc(-c3nnn[n-]3)cc2=O)no1 ZINC001592019586 1016625497 /nfs/dbraw/zinc/62/54/97/1016625497.db2.gz LOYGYDRYUUBTFK-UHFFFAOYSA-N -1 0 301.266 -0.036 20 0 DBADRM Nc1nc2nc(CN3CCOC[C@@H]3[C@@H]3CCCO3)cc(=O)n2[n-]1 ZINC001434468330 1002483754 /nfs/dbraw/zinc/48/37/54/1002483754.db2.gz BNLSXZHFITZLTR-MNOVXSKESA-N -1 0 320.353 -0.620 20 0 DBADRM Cc1cc(S(=O)(=O)[N-]c2nnn(C)n2)ccc1-c1nn[nH]n1 ZINC001592067640 1016627660 /nfs/dbraw/zinc/62/76/60/1016627660.db2.gz MDKCUENPRKZWIU-UHFFFAOYSA-N -1 0 321.326 -0.501 20 0 DBADRM O=c1[n-]c(CN2CCC(N3CCCS3(=O)=O)CC2)n[nH]1 ZINC001434474151 1002491972 /nfs/dbraw/zinc/49/19/72/1002491972.db2.gz XMGPFNWQDNRUAM-UHFFFAOYSA-N -1 0 301.372 -0.490 20 0 DBADRM Nc1nc2nc(CN3CCC[C@H]3C3OCCO3)cc(=O)n2[n-]1 ZINC001434493318 1002502905 /nfs/dbraw/zinc/50/29/05/1002502905.db2.gz XDUOINOFGZQOEO-VIFPVBQESA-N -1 0 306.326 -0.663 20 0 DBADRM Cc1ccc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)n1C ZINC001592127247 1016630202 /nfs/dbraw/zinc/63/02/02/1016630202.db2.gz AMCQNVPCFMAQDG-UHFFFAOYSA-N -1 0 301.314 -0.465 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC(=O)NC1CC1 ZINC001434547733 1002519331 /nfs/dbraw/zinc/51/93/31/1002519331.db2.gz NRDWMKZVIFZNGE-SFHVURJKSA-N -1 0 311.429 -0.004 20 0 DBADRM Cc1noc([C@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)n1 ZINC001434549981 1002520003 /nfs/dbraw/zinc/52/00/03/1002520003.db2.gz RSMNWFHTZPVEKK-AHGSNSTDSA-N -1 0 311.389 -0.152 20 0 DBADRM CC(C)n1ncc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1N ZINC001592153771 1016633232 /nfs/dbraw/zinc/63/32/32/1016633232.db2.gz VDMZZCYFPVGHNW-YUMQZZPRSA-N -1 0 311.342 -0.246 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](CO)c1cnn(C)c1 ZINC001434560922 1002526640 /nfs/dbraw/zinc/52/66/40/1002526640.db2.gz NCVOZMQQPHOUNM-JTQLQIEISA-N -1 0 324.428 -0.204 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)CC1(n2cnnn2)CCOCC1 ZINC001592192095 1016633939 /nfs/dbraw/zinc/63/39/39/1016633939.db2.gz LRQVSBCIEFQDKB-VMZHVLLKSA-N -1 0 309.326 -0.286 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)CSCC(=O)N1CCOCC1 ZINC001592199562 1016634441 /nfs/dbraw/zinc/63/44/41/1016634441.db2.gz BQJRQMAGWKTNSK-PBKGFPTLSA-N -1 0 316.379 -0.276 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)CSCC(=O)N1CCOCC1 ZINC001592199561 1016634976 /nfs/dbraw/zinc/63/49/76/1016634976.db2.gz BQJRQMAGWKTNSK-MXQLGCADSA-N -1 0 316.379 -0.276 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)CNS(=O)(=O)c1cccnc1 ZINC001592203419 1016635944 /nfs/dbraw/zinc/63/59/44/1016635944.db2.gz ZNZFIQICRJBJTH-XRVBUDJMSA-N -1 0 313.335 -0.495 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC001592201906 1016636051 /nfs/dbraw/zinc/63/60/51/1016636051.db2.gz RGWFQEFZNNPTIX-BTPRRSBVSA-N -1 0 309.322 -0.148 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NS(=O)(=O)c1cnn2c1OCCC2 ZINC001592212425 1016636089 /nfs/dbraw/zinc/63/60/89/1016636089.db2.gz RNJMJNPTVVWVGU-MPJRPATESA-N -1 0 301.324 -0.027 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@@H](C)NC(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC001495501540 1016637089 /nfs/dbraw/zinc/63/70/89/1016637089.db2.gz HYUIDMZEAFNSAI-VXNVDRBHSA-N -1 0 323.353 -0.673 20 0 DBADRM O=C1[C@@H](NS(=O)(=O)c2ncc[n-]2)CCN1C1CCOCC1 ZINC001434590336 1002550015 /nfs/dbraw/zinc/55/00/15/1002550015.db2.gz FYUUYUFKZAOBKL-JTQLQIEISA-N -1 0 314.367 -0.532 20 0 DBADRM COC(=O)c1ccc(CS(=O)(=O)[N-]c2nnn(C)n2)cc1 ZINC001434609904 1002551972 /nfs/dbraw/zinc/55/19/72/1002551972.db2.gz GJEMHAWQCQRWFA-UHFFFAOYSA-N -1 0 311.323 -0.061 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)C(=O)OC)[C@@H](C)O ZINC001434616153 1002556496 /nfs/dbraw/zinc/55/64/96/1002556496.db2.gz NWTCOHDROFCZSA-SFYZADRCSA-N -1 0 311.356 -0.973 20 0 DBADRM Cc1ccn(CCN2CCCS2(=O)=O)c(=O)c1-c1nnn[n-]1 ZINC001592265628 1016638147 /nfs/dbraw/zinc/63/81/47/1016638147.db2.gz DHRHJIVVEPEGEK-UHFFFAOYSA-N -1 0 324.366 -0.628 20 0 DBADRM O=C1N[C@H](C2CCN(S(=O)(=O)c3ncc[n-]3)CC2)CO1 ZINC001434643893 1002563409 /nfs/dbraw/zinc/56/34/09/1002563409.db2.gz QJWPWUKTRNLAIH-VIFPVBQESA-N -1 0 300.340 -0.081 20 0 DBADRM Cc1ccn(CN2CCO[C@@H](CF)C2)c(=O)c1-c1nnn[n-]1 ZINC001592267353 1016641439 /nfs/dbraw/zinc/64/14/39/1016641439.db2.gz QEYOSPGZNWNEBR-JTQLQIEISA-N -1 0 308.317 -0.035 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC1CCS(=O)(=O)CC1 ZINC001434729391 1002579494 /nfs/dbraw/zinc/57/94/94/1002579494.db2.gz DHLJDPNCUXPTOC-UHFFFAOYSA-N -1 0 302.360 -0.939 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H](O)Cc1cccc(F)c1 ZINC001434729638 1002579506 /nfs/dbraw/zinc/57/95/06/1002579506.db2.gz HJTGBGRMODJOGP-LLVKDONJSA-N -1 0 308.317 -0.021 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(S(C)(=O)=O)CC1 ZINC001434729619 1002579748 /nfs/dbraw/zinc/57/97/48/1002579748.db2.gz GPFAXQILZKAUBP-UHFFFAOYSA-N -1 0 302.360 -0.844 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC2(CCNC(=O)O2)CC1 ZINC001434729904 1002580393 /nfs/dbraw/zinc/58/03/93/1002580393.db2.gz MUPGIMJDRPEVGD-UHFFFAOYSA-N -1 0 309.330 -0.389 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001434730386 1002581020 /nfs/dbraw/zinc/58/10/20/1002581020.db2.gz SPOCLBJFYADYPK-MRVPVSSYSA-N -1 0 302.360 -0.844 20 0 DBADRM Cc1cnc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)cc1C ZINC001592290415 1016643253 /nfs/dbraw/zinc/64/32/53/1016643253.db2.gz QTGJAGLTOZRQOF-UHFFFAOYSA-N -1 0 313.325 -0.100 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)CN1CCS(=O)(=O)CC1)C1CC1 ZINC001592283309 1016643369 /nfs/dbraw/zinc/64/33/69/1016643369.db2.gz ZCCCDDIXMWWPGO-CYBMUJFWSA-N -1 0 318.395 -0.524 20 0 DBADRM Cc1cnc(CNC[C@H](O)CN(C)C(=O)c2n[nH]c(C)c2[O-])o1 ZINC001425990338 1002606139 /nfs/dbraw/zinc/60/61/39/1002606139.db2.gz ZBWFMQQWLXGCGG-JTQLQIEISA-N -1 0 323.353 -0.057 20 0 DBADRM Cc1n[nH]c(C(=O)NCc2cncc(-c3nn[nH]n3)c2)c1[O-] ZINC001592324832 1016646281 /nfs/dbraw/zinc/64/62/81/1016646281.db2.gz UQCXIVQLWBISBP-UHFFFAOYSA-N -1 0 300.282 -0.071 20 0 DBADRM O=C(N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1)N[C@H]1CCC[C@@H]1O ZINC001434841592 1002643041 /nfs/dbraw/zinc/64/30/41/1002643041.db2.gz QZHWWDKKHIQJBA-VWYCJHECSA-N -1 0 307.354 -0.027 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CN(C)Cc2ccon2)c1[O-] ZINC001426063226 1002658681 /nfs/dbraw/zinc/65/86/81/1002658681.db2.gz RNRQZHPMYPFAKF-NSHDSACASA-N -1 0 323.353 -0.023 20 0 DBADRM COCCC(=O)NC[C@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001415092077 1002659824 /nfs/dbraw/zinc/65/98/24/1002659824.db2.gz UPFSTMXIYTZMKM-VIFPVBQESA-N -1 0 321.337 -0.706 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001436317804 1002670585 /nfs/dbraw/zinc/67/05/85/1002670585.db2.gz FSNTZVYBOPLMJI-QWRGUYRKSA-N -1 0 324.385 -0.542 20 0 DBADRM C[C@@H](CNC(=O)CC(C)(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415111191 1002672594 /nfs/dbraw/zinc/67/25/94/1002672594.db2.gz JMQXISLJPAARAM-QMMMGPOBSA-N -1 0 313.358 -0.254 20 0 DBADRM CC[C@@H](F)C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001426079153 1002672458 /nfs/dbraw/zinc/67/24/58/1002672458.db2.gz JOOFVBIYTWTIGM-DTWKUNHWSA-N -1 0 303.338 -0.491 20 0 DBADRM Cc1nc([C@H](C)NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)no1 ZINC001592354912 1016654463 /nfs/dbraw/zinc/65/44/63/1016654463.db2.gz VCXJJKSVIABIKV-NTSWFWBYSA-N -1 0 318.301 -0.412 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001436317806 1002673243 /nfs/dbraw/zinc/67/32/43/1002673243.db2.gz FSNTZVYBOPLMJI-WDEREUQCSA-N -1 0 324.385 -0.542 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C ZINC001592351022 1016655211 /nfs/dbraw/zinc/65/52/11/1016655211.db2.gz AUYDELWVSNKBAK-XHDPSFHLSA-N -1 0 314.382 -0.171 20 0 DBADRM C[C@@H](CNC(=O)[C@@H](C)C1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415136613 1002693886 /nfs/dbraw/zinc/69/38/86/1002693886.db2.gz NUTALRBGLVOTFD-YUMQZZPRSA-N -1 0 311.342 -0.644 20 0 DBADRM COCCN(CCNC(=O)c1ncccn1)Cc1n[nH]c(=O)[n-]1 ZINC001426171714 1002715129 /nfs/dbraw/zinc/71/51/29/1002715129.db2.gz ITILMMXWZJLWRK-UHFFFAOYSA-N -1 0 321.341 -0.821 20 0 DBADRM COCC(=O)N[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)[C@@H]1C ZINC001436473884 1002722410 /nfs/dbraw/zinc/72/24/10/1002722410.db2.gz WOXRHNJJBHWMCU-PWSUYJOCSA-N -1 0 319.365 -0.252 20 0 DBADRM C[C@@H](CC(=O)[O-])S(=O)(=O)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001592420847 1016663056 /nfs/dbraw/zinc/66/30/56/1016663056.db2.gz ITPGPNDIZXYNMK-GXSJLCMTSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@H](CC(=O)[O-])S(=O)(=O)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001592420849 1016663198 /nfs/dbraw/zinc/66/31/98/1016663198.db2.gz ITPGPNDIZXYNMK-MWLCHTKSSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@H](CC(=O)OCC(=O)NCC(=O)[O-])NC(=O)c1ccccc1 ZINC001592430180 1016665503 /nfs/dbraw/zinc/66/55/03/1016665503.db2.gz VMOOCBNOUAQOJU-SNVBAGLBSA-N -1 0 322.317 -0.061 20 0 DBADRM Cc1nn(C[C@@H]2C[C@H]3COC[C@H]3O2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592435919 1016665521 /nfs/dbraw/zinc/66/55/21/1016665521.db2.gz FJYVVZQWNZMUHD-GARJFASQSA-N -1 0 318.337 -0.156 20 0 DBADRM C[C@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001495630551 1016665901 /nfs/dbraw/zinc/66/59/01/1016665901.db2.gz MWKZJZUJYWRTCU-IWSPIJDZSA-N -1 0 311.342 -0.644 20 0 DBADRM Cc1ncoc1C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001592422326 1016666068 /nfs/dbraw/zinc/66/60/68/1016666068.db2.gz CPFBCHQDPLLIRP-UHFFFAOYSA-N -1 0 315.297 -0.783 20 0 DBADRM CCCCC(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001436697146 1002750546 /nfs/dbraw/zinc/75/05/46/1002750546.db2.gz SDEUPTKMNFELAT-UHFFFAOYSA-N -1 0 310.402 -0.066 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H](C)C1CC1 ZINC001415226651 1002758599 /nfs/dbraw/zinc/75/85/99/1002758599.db2.gz VPQOUALMOXDKSJ-RNFRBKRXSA-N -1 0 309.326 -0.437 20 0 DBADRM Cc1n[nH]cc1C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001415234536 1002765368 /nfs/dbraw/zinc/76/53/68/1002765368.db2.gz SBGMWOLOJJFVGJ-UHFFFAOYSA-N -1 0 317.353 -0.110 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1 ZINC001592436170 1016669082 /nfs/dbraw/zinc/66/90/82/1016669082.db2.gz SBBVUVOZGATALG-UHFFFAOYSA-N -1 0 323.342 -0.557 20 0 DBADRM CC1(C(=O)NCC2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001426349013 1002768524 /nfs/dbraw/zinc/76/85/24/1002768524.db2.gz OUGCHKWRMRQOJC-UHFFFAOYSA-N -1 0 323.353 -0.500 20 0 DBADRM Cc1nn(C[C@@H]2C[C@@H]3COC[C@H]3O2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592435920 1016669775 /nfs/dbraw/zinc/66/97/75/1016669775.db2.gz FJYVVZQWNZMUHD-OUAUKWLOSA-N -1 0 318.337 -0.156 20 0 DBADRM C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001592463720 1016673412 /nfs/dbraw/zinc/67/34/12/1016673412.db2.gz HYAUICMSPBSCHV-RKDXNWHRSA-N -1 0 324.337 -0.012 20 0 DBADRM C[C@@H](CCCCO)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001592485209 1016672326 /nfs/dbraw/zinc/67/23/26/1016672326.db2.gz OHSVNXXUWQRHFV-WDEREUQCSA-N -1 0 300.355 -0.023 20 0 DBADRM Cc1noc(C)c1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592458322 1016672883 /nfs/dbraw/zinc/67/28/83/1016672883.db2.gz HUBFDFUKFMBZNJ-UHFFFAOYSA-N -1 0 303.286 -0.507 20 0 DBADRM C[C@H](CNC(=O)C(C)(C)C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001415266716 1002791609 /nfs/dbraw/zinc/79/16/09/1002791609.db2.gz BGYXVNYTBQRPDW-MRVPVSSYSA-N -1 0 310.354 -0.234 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NC/C=C\CNc1ccnc(C(=O)[O-])n1 ZINC001592452172 1016673804 /nfs/dbraw/zinc/67/38/04/1016673804.db2.gz KZRJDEDPZBMHTF-PKRMOACSSA-N -1 0 321.337 -0.808 20 0 DBADRM Cc1noc(COC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001592462741 1016674293 /nfs/dbraw/zinc/67/42/93/1016674293.db2.gz UJNZCCUFWVLVGV-YFKPBYRVSA-N -1 0 305.258 -0.546 20 0 DBADRM C[C@H](CCNC(=O)[C@H]1CC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415379047 1002820370 /nfs/dbraw/zinc/82/03/70/1002820370.db2.gz FVLGUZSYKZWJMP-HTQZYQBOSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@](CCF)(NC(=O)c1ccnc(S(C)(=O)=O)n1)C(=O)[O-] ZINC001592497953 1016678796 /nfs/dbraw/zinc/67/87/96/1016678796.db2.gz RDTJKHTYEHVNHN-LLVKDONJSA-N -1 0 319.314 -0.187 20 0 DBADRM C[C@H](CCCNc1cc[nH+]c(C(=O)[O-])n1)NC(=O)c1nnc[n-]1 ZINC001592487353 1016679360 /nfs/dbraw/zinc/67/93/60/1016679360.db2.gz INAADRVVVSXPHR-MRVPVSSYSA-N -1 0 319.325 -0.275 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)OC)c1 ZINC001597920819 1017215855 /nfs/dbraw/zinc/21/58/55/1017215855.db2.gz MXWHIUJILBOKNZ-MRVPVSSYSA-N -1 0 319.339 -0.412 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2cnn(C)c2C)c1[O-] ZINC001415449587 1002838310 /nfs/dbraw/zinc/83/83/10/1002838310.db2.gz QNWSQAWFWCAWKC-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H](C)CC(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592512629 1016681802 /nfs/dbraw/zinc/68/18/02/1016681802.db2.gz AJDGCUXHEJMHCH-IUCAKERBSA-N -1 0 323.353 -0.007 20 0 DBADRM CC(C)[C@@H](O)C(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001437030146 1002844442 /nfs/dbraw/zinc/84/44/42/1002844442.db2.gz HMUPBDVZPYWTME-CMPLNLGQSA-N -1 0 311.386 -0.002 20 0 DBADRM Cc1ocnc1CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001592514876 1016682317 /nfs/dbraw/zinc/68/23/17/1016682317.db2.gz KYLGMWRKDSDMQT-ZCFIWIBFSA-N -1 0 303.286 -0.368 20 0 DBADRM C[C@H](CCNC(=O)[C@@H]1CCNC1=O)Nc1ccnc(C(=O)[O-])n1 ZINC001592512714 1016682348 /nfs/dbraw/zinc/68/23/48/1016682348.db2.gz CHQGZIAFPHNDQY-BDAKNGLRSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@H](CCNC(=O)Cn1cccc(C(=O)[O-])c1=O)[S@@](C)=O ZINC001592512902 1016682545 /nfs/dbraw/zinc/68/25/45/1016682545.db2.gz JCZQZCZRVMJORR-AOUSDQRYSA-N -1 0 314.363 -0.180 20 0 DBADRM Cc1ocnc1CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592514961 1016682832 /nfs/dbraw/zinc/68/28/32/1016682832.db2.gz SHWNHYCQVPZJLI-UHFFFAOYSA-N -1 0 318.301 -0.746 20 0 DBADRM C[C@](CCF)(NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001592506844 1016683185 /nfs/dbraw/zinc/68/31/85/1016683185.db2.gz GPMLFSUDDOIRID-BXKDBHETSA-N -1 0 322.358 -0.128 20 0 DBADRM C[C@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001592530638 1016685290 /nfs/dbraw/zinc/68/52/90/1016685290.db2.gz KTNBJPLYYVKLIW-QNSHHTMESA-N -1 0 321.337 -0.397 20 0 DBADRM CC(C)C(=O)N(C)C[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001426730766 1002879328 /nfs/dbraw/zinc/87/93/28/1002879328.db2.gz VRJQLWPLPSWWDY-VIFPVBQESA-N -1 0 311.342 -0.595 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNC(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC001426742296 1002880242 /nfs/dbraw/zinc/88/02/42/1002880242.db2.gz PZMXNSHDLNGXLI-CBAPKCEASA-N -1 0 323.353 -0.721 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)c1ncn(C)n1 ZINC001592531203 1016688586 /nfs/dbraw/zinc/68/85/86/1016688586.db2.gz UVPXNCPCHAUGFC-QMMMGPOBSA-N -1 0 319.325 -0.654 20 0 DBADRM Cc1nc(CN[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001437242739 1002890243 /nfs/dbraw/zinc/89/02/43/1002890243.db2.gz FGVVXKVYWFXKRO-SSDOTTSWSA-N -1 0 310.314 -0.720 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001426785678 1002890593 /nfs/dbraw/zinc/89/05/93/1002890593.db2.gz DVXUQCTZESWRCT-CIUDSAMLSA-N -1 0 311.342 -0.692 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H](C)CC(N)=O ZINC001592531043 1016689418 /nfs/dbraw/zinc/68/94/18/1016689418.db2.gz QPJHMNDXTKQEIW-RKDXNWHRSA-N -1 0 323.353 -0.585 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1CCOC1 ZINC001592531497 1016689478 /nfs/dbraw/zinc/68/94/78/1016689478.db2.gz XXSIWBWEHYDBGA-ZJUUUORDSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@H](CC[S@@](C)=O)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001592538122 1016689542 /nfs/dbraw/zinc/68/95/42/1016689542.db2.gz QKTYTJGDGGTMCR-AOUSDQRYSA-N -1 0 314.363 -0.180 20 0 DBADRM C[C@H](CC[S@](C)=O)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001592537362 1016689576 /nfs/dbraw/zinc/68/95/76/1016689576.db2.gz KGTABNDVJJVEDF-QDXVKYEASA-N -1 0 318.395 -0.417 20 0 DBADRM Cn1c(=O)[nH]c(NCC2(C)CCOCC2)c(-c2nnn[n-]2)c1=O ZINC001592546605 1016692108 /nfs/dbraw/zinc/69/21/08/1016692108.db2.gz PZBIAHAIJFDOOU-UHFFFAOYSA-N -1 0 321.341 -0.105 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC(C)(F)CC2)n(C)c1=O ZINC001592553411 1016692710 /nfs/dbraw/zinc/69/27/10/1016692710.db2.gz QHMWNBCHPIVWRK-UHFFFAOYSA-N -1 0 323.332 -0.408 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@@H]2C2CC2)n(C)c1=O ZINC001592553578 1016692937 /nfs/dbraw/zinc/69/29/37/1016692937.db2.gz UINUJSLNZWOXLK-MRVPVSSYSA-N -1 0 303.326 -0.747 20 0 DBADRM CCN(CCNC(=O)CC(C)C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415635881 1002917000 /nfs/dbraw/zinc/91/70/00/1002917000.db2.gz OEEPENUGSVZQCQ-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM Cn1c(=O)[nH]c(NCCC[C@H]2CCOC2)c(-c2nnn[n-]2)c1=O ZINC001592546684 1016693482 /nfs/dbraw/zinc/69/34/82/1016693482.db2.gz RFQXISGKEXPEGF-QMMMGPOBSA-N -1 0 321.341 -0.105 20 0 DBADRM Cn1c(=O)[nH]c(NCC[C@H](O)C2CC2)c(-c2nnn[n-]2)c1=O ZINC001592546965 1016693668 /nfs/dbraw/zinc/69/36/68/1016693668.db2.gz YQTYCABEOPIKPJ-ZETCQYMHSA-N -1 0 307.314 -0.761 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@H]2C2CC2)n(C)c1=O ZINC001592553579 1016694488 /nfs/dbraw/zinc/69/44/88/1016694488.db2.gz UINUJSLNZWOXLK-QMMMGPOBSA-N -1 0 303.326 -0.747 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)c1cn[nH]n1 ZINC001415656960 1002931154 /nfs/dbraw/zinc/93/11/54/1002931154.db2.gz JBMCJWAYWVLSDC-UHFFFAOYSA-N -1 0 307.314 -0.566 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001437338927 1002933671 /nfs/dbraw/zinc/93/36/71/1002933671.db2.gz XETSCMIRDHNASP-JTQLQIEISA-N -1 0 310.358 -0.931 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2C[C@]23CCOC3)c1=O ZINC001592557675 1016696314 /nfs/dbraw/zinc/69/63/14/1016696314.db2.gz CFECUXCYVGOFFL-OQPBUACISA-N -1 0 304.310 -0.846 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@H]2CCCCO2)n(C)c1=O ZINC001592555956 1016696341 /nfs/dbraw/zinc/69/63/41/1016696341.db2.gz ZKARLCGRALCYPN-MRVPVSSYSA-N -1 0 321.341 -0.755 20 0 DBADRM Cn1c(C=O)ccc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592554600 1016697211 /nfs/dbraw/zinc/69/72/11/1016697211.db2.gz CIAYNXREDGLBHI-UHFFFAOYSA-N -1 0 315.297 -0.961 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2cncc(F)c2)c1=O ZINC001592557908 1016697225 /nfs/dbraw/zinc/69/72/25/1016697225.db2.gz HIHNMMXQBGKYRW-UHFFFAOYSA-N -1 0 303.257 -0.691 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2C[C@@]23CCOC3)c1=O ZINC001592557673 1016697483 /nfs/dbraw/zinc/69/74/83/1016697483.db2.gz CFECUXCYVGOFFL-AMIZOPFISA-N -1 0 304.310 -0.846 20 0 DBADRM CCN(CCNC(=O)c1cc[nH]c1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415678352 1002951921 /nfs/dbraw/zinc/95/19/21/1002951921.db2.gz PAYLACQKBCUDKB-UHFFFAOYSA-N -1 0 322.325 -0.704 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592563695 1016700354 /nfs/dbraw/zinc/70/03/54/1016700354.db2.gz CEXVSGWWJDJODH-DTWKUNHWSA-N -1 0 323.353 -0.055 20 0 DBADRM CCN(CCNC(=O)c1cnn(C)n1)C(=O)c1n[nH]c(C)c1[O-] ZINC001415701230 1002964563 /nfs/dbraw/zinc/96/45/63/1002964563.db2.gz VJSQBJBIOXBXHZ-UHFFFAOYSA-N -1 0 321.341 -0.556 20 0 DBADRM C[C@H](CN(C)C(=O)Cc1nnc[nH]1)Nc1ccnc(C(=O)[O-])n1 ZINC001592574695 1016706291 /nfs/dbraw/zinc/70/62/91/1016706291.db2.gz ODQOZENKIXHKBF-MRVPVSSYSA-N -1 0 319.325 -0.784 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001592568156 1016706611 /nfs/dbraw/zinc/70/66/11/1016706611.db2.gz LIAOVYPLOQUDAD-VXNVDRBHSA-N -1 0 322.325 -0.885 20 0 DBADRM CC(=O)NCCC[C@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001495740839 1016709517 /nfs/dbraw/zinc/70/95/17/1016709517.db2.gz NOKMTZQNZZUNQW-JTQLQIEISA-N -1 0 311.342 -0.403 20 0 DBADRM C[C@H](CN(C)C(=O)c1ccn(C)n1)Nc1ccnc(C(=O)[O-])n1 ZINC001592579919 1016711124 /nfs/dbraw/zinc/71/11/24/1016711124.db2.gz QNNIWBRQARZWQZ-SECBINFHSA-N -1 0 318.337 -0.097 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)CCC(F)(F)F ZINC001437485094 1003026134 /nfs/dbraw/zinc/02/61/34/1003026134.db2.gz VPBAZELVHIHYFY-UHFFFAOYSA-N -1 0 309.248 -0.103 20 0 DBADRM C[C@@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)Cc1nc[nH]n1 ZINC001592588595 1016712071 /nfs/dbraw/zinc/71/20/71/1016712071.db2.gz MWDHGXZFHUYRTH-QMMMGPOBSA-N -1 0 319.325 -0.524 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001592575396 1016712369 /nfs/dbraw/zinc/71/23/69/1016712369.db2.gz ILBKVIJEIBOQND-SCZZXKLOSA-N -1 0 321.337 -0.288 20 0 DBADRM C[C@H](CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1)C(=O)[O-] ZINC001592592523 1016714327 /nfs/dbraw/zinc/71/43/27/1016714327.db2.gz FVUCDBMMJUVVOB-NXEZZACHSA-N -1 0 318.395 -0.525 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001437521839 1003052154 /nfs/dbraw/zinc/05/21/54/1003052154.db2.gz CVIWCNNPQNMFEZ-VHSXEESVSA-N -1 0 324.385 -0.650 20 0 DBADRM C[C@@H](CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1)C(=O)[O-] ZINC001592592525 1016717143 /nfs/dbraw/zinc/71/71/43/1016717143.db2.gz FVUCDBMMJUVVOB-VHSXEESVSA-N -1 0 318.395 -0.525 20 0 DBADRM O=C(CCC1CC1)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001415982720 1003069175 /nfs/dbraw/zinc/06/91/75/1003069175.db2.gz OCSIFWADEJBJRV-UHFFFAOYSA-N -1 0 307.310 -0.586 20 0 DBADRM Cn1nncc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC001592613305 1016730349 /nfs/dbraw/zinc/73/03/49/1016730349.db2.gz PYPSLVYYLBNVIV-UHFFFAOYSA-N -1 0 307.299 -0.809 20 0 DBADRM Cn1ncc2c1nccc2NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592601897 1016720999 /nfs/dbraw/zinc/72/09/99/1016720999.db2.gz AVYYEEHFNWYFOL-UHFFFAOYSA-N -1 0 311.313 -0.148 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001427357286 1003090139 /nfs/dbraw/zinc/09/01/39/1003090139.db2.gz BTVWSFUDZFJVMW-WCBMZHEXSA-N -1 0 323.353 -0.721 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001427357279 1003090979 /nfs/dbraw/zinc/09/09/79/1003090979.db2.gz BTVWSFUDZFJVMW-PSASIEDQSA-N -1 0 323.353 -0.721 20 0 DBADRM CCN(CCNC(=O)c1cc(OC)n(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001437612249 1003092074 /nfs/dbraw/zinc/09/20/74/1003092074.db2.gz KRADDJKGMNQQDA-UHFFFAOYSA-N -1 0 323.357 -0.496 20 0 DBADRM CCN(CCNC(=O)CCc1cnccn1)Cc1n[nH]c(=O)[n-]1 ZINC001437644353 1003112367 /nfs/dbraw/zinc/11/23/67/1003112367.db2.gz XNFPHPNOGVUISE-UHFFFAOYSA-N -1 0 319.369 -0.129 20 0 DBADRM CC(C)(F)C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001416062706 1003134475 /nfs/dbraw/zinc/13/44/75/1003134475.db2.gz ZWIRQDLKYKJXHF-UHFFFAOYSA-N -1 0 313.289 -0.781 20 0 DBADRM C[C@@H](CNC(=O)Cc1cnoc1)Nc1ccnc(C(=O)[O-])n1 ZINC001592653892 1016738484 /nfs/dbraw/zinc/73/84/84/1016738484.db2.gz CKDLUGTZYAMGOB-QMMMGPOBSA-N -1 0 305.294 -0.256 20 0 DBADRM C[C@H](CNC(=O)N1CCSC[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC001592663662 1016738913 /nfs/dbraw/zinc/73/89/13/1016738913.db2.gz GWEQYRUEEIKLKZ-RKDXNWHRSA-N -1 0 324.424 -0.121 20 0 DBADRM C[C@H](CNC(=O)NCCn1cc(C(=O)[O-])nn1)Cn1cccn1 ZINC001592673092 1016740053 /nfs/dbraw/zinc/74/00/53/1016740053.db2.gz SDMVNEHVQKQGDU-SNVBAGLBSA-N -1 0 321.341 -0.192 20 0 DBADRM C[C@@H](CN1CCOCC1)N(C)S(=O)(=O)CCCC(=O)[O-] ZINC001592624479 1016732510 /nfs/dbraw/zinc/73/25/10/1016732510.db2.gz PFPSNSALWFINMC-NSHDSACASA-N -1 0 308.400 -0.167 20 0 DBADRM C[C@@H](CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1ncon1 ZINC001592650315 1016733074 /nfs/dbraw/zinc/73/30/74/1016733074.db2.gz BVFKKNPDDHDYRD-IUCAKERBSA-N -1 0 310.310 -0.388 20 0 DBADRM CC(C)=CC(=O)NCCN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001495821723 1016733388 /nfs/dbraw/zinc/73/33/88/1016733388.db2.gz FAEHSFRDDWRRKP-UHFFFAOYSA-N -1 0 323.353 -0.244 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)Nc1ncc(C(=O)[O-])cn1 ZINC001592647223 1016733833 /nfs/dbraw/zinc/73/38/33/1016733833.db2.gz AVZUJXGINQMZBF-RKDXNWHRSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCCNC1=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592647259 1016734057 /nfs/dbraw/zinc/73/40/57/1016734057.db2.gz CGQFGSOVDZSWPA-WPRPVWTQSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@H](CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)S(C)(=O)=O ZINC001592650579 1016734119 /nfs/dbraw/zinc/73/41/19/1016734119.db2.gz JBTCJAZDGVAAIK-KXUCPTDWSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCNC1=O)N(C)c1ncc(C(=O)[O-])cn1 ZINC001592647700 1016734167 /nfs/dbraw/zinc/73/41/67/1016734167.db2.gz LXGFQWILURRXIO-WCBMZHEXSA-N -1 0 321.337 -0.748 20 0 DBADRM CN(CCNC(=O)c1cccs1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001495822127 1016734734 /nfs/dbraw/zinc/73/47/34/1016734734.db2.gz NTZQHHDSFAHXQR-UHFFFAOYSA-N -1 0 323.334 -0.154 20 0 DBADRM C[C@@H](CNC(=O)Cc1c[nH]cn1)CNc1ccnc(C(=O)[O-])n1 ZINC001592654595 1016736003 /nfs/dbraw/zinc/73/60/03/1016736003.db2.gz KSDNVRIMXDZOIA-SECBINFHSA-N -1 0 318.337 -0.273 20 0 DBADRM CCCN(CCNC(=O)[C@]1(F)CCOC1)Cc1n[nH]c(=O)[n-]1 ZINC001437761149 1003204161 /nfs/dbraw/zinc/20/41/61/1003204161.db2.gz FRDOXUUYPXPDMA-ZDUSSCGKSA-N -1 0 315.349 -0.033 20 0 DBADRM C[C@@H](CNC(=O)Cc1cncn1C)Nc1ccnc(C(=O)[O-])n1 ZINC001592653845 1016736793 /nfs/dbraw/zinc/73/67/93/1016736793.db2.gz BFXUFRMIAGAFGB-VIFPVBQESA-N -1 0 318.337 -0.511 20 0 DBADRM C[C@H](CNC(=O)Cc1cnoc1)Nc1ccnc(C(=O)[O-])n1 ZINC001592653891 1016737816 /nfs/dbraw/zinc/73/78/16/1016737816.db2.gz CKDLUGTZYAMGOB-MRVPVSSYSA-N -1 0 305.294 -0.256 20 0 DBADRM C[C@@H](CNC(=O)Cn1cccn1)Nc1ncc(C(=O)[O-])cn1 ZINC001592654920 1016738001 /nfs/dbraw/zinc/73/80/01/1016738001.db2.gz NEXRAIBKILCAMO-VIFPVBQESA-N -1 0 304.310 -0.012 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)S(C)(=O)=O ZINC001592692638 1016744853 /nfs/dbraw/zinc/74/48/53/1016744853.db2.gz WKXIMTYNRWVFGU-KXUCPTDWSA-N -1 0 307.368 -0.052 20 0 DBADRM C[C@H](CNC(=O)c1cccc(OCC(=O)[O-])c1)S(N)(=O)=O ZINC001592698730 1016745035 /nfs/dbraw/zinc/74/50/35/1016745035.db2.gz KNFRYMFTZVGMOO-MRVPVSSYSA-N -1 0 316.335 -0.443 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1ccnc(C(=O)[O-])n1 ZINC001592688561 1016745152 /nfs/dbraw/zinc/74/51/52/1016745152.db2.gz DRPXKWALSDZCGQ-DTWKUNHWSA-N -1 0 321.337 -0.866 20 0 DBADRM C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)Nc1ccnc(C(=O)[O-])n1 ZINC001592696500 1016745652 /nfs/dbraw/zinc/74/56/52/1016745652.db2.gz AQNRCVPBQMLOQT-ZETCQYMHSA-N -1 0 318.293 -0.677 20 0 DBADRM C[C@@H](CNC(=O)c1ccnnc1)CNc1ccnc(C(=O)[O-])n1 ZINC001592700931 1016748459 /nfs/dbraw/zinc/74/84/59/1016748459.db2.gz DMRAUSTYNHRHIY-SECBINFHSA-N -1 0 316.321 -0.135 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](NCC(N)=O)c2ccccc2)c1[O-] ZINC001437867716 1003272208 /nfs/dbraw/zinc/27/22/08/1003272208.db2.gz QXRHELFURLOHRK-LLVKDONJSA-N -1 0 317.349 -0.030 20 0 DBADRM C[C@H](CNC(=O)c1ncccc1O)Nc1ccnc(C(=O)[O-])n1 ZINC001592706872 1016750179 /nfs/dbraw/zinc/75/01/79/1016750179.db2.gz ZCUCRKNRNRCOEH-MRVPVSSYSA-N -1 0 317.305 -0.072 20 0 DBADRM CC[C@@H](CNC(=O)C1(C)CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001416235189 1003273964 /nfs/dbraw/zinc/27/39/64/1003273964.db2.gz NVKMELIMITZTSM-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@@H](CNC(=O)c1cnn(C)n1)CNc1ccnc(C(=O)[O-])n1 ZINC001592706674 1016750927 /nfs/dbraw/zinc/75/09/27/1016750927.db2.gz UPGLUUBXARYBFB-MRVPVSSYSA-N -1 0 319.325 -0.797 20 0 DBADRM C[C@H](CNC(=O)c1cnc(C(=O)[O-])cn1)CN1CCOCC1 ZINC001592702428 1016751177 /nfs/dbraw/zinc/75/11/77/1016751177.db2.gz XNLNMCAMDCTJKW-SNVBAGLBSA-N -1 0 308.338 -0.127 20 0 DBADRM C[C@@H](CNC(=O)c1ncccc1O)Nc1ccnc(C(=O)[O-])n1 ZINC001592706873 1016752149 /nfs/dbraw/zinc/75/21/49/1016752149.db2.gz ZCUCRKNRNRCOEH-QMMMGPOBSA-N -1 0 317.305 -0.072 20 0 DBADRM CC[C@@H](F)CN1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001438065475 1003336789 /nfs/dbraw/zinc/33/67/89/1003336789.db2.gz VDVAVBBHUAFSNU-MRVPVSSYSA-N -1 0 313.333 -0.236 20 0 DBADRM Cn1ccnc1CCC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438172306 1003367462 /nfs/dbraw/zinc/36/74/62/1003367462.db2.gz VBXANJPZCCOTOL-UHFFFAOYSA-N -1 0 319.369 -0.575 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1cccnc1C(=O)[O-])S(C)(=O)=O ZINC001592721329 1016765382 /nfs/dbraw/zinc/76/53/82/1016765382.db2.gz BXCGZSYGYMNYGV-ZETCQYMHSA-N -1 0 322.364 -0.509 20 0 DBADRM CC(=O)NCC(=O)NC[C@H](NC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001427862431 1003411890 /nfs/dbraw/zinc/41/18/90/1003411890.db2.gz XDXXGINJYFMXAM-JTQLQIEISA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)CC2(C)CC2)c1[O-] ZINC001427883990 1003425306 /nfs/dbraw/zinc/42/53/06/1003425306.db2.gz GZRDLMGLDIURNX-VIFPVBQESA-N -1 0 310.354 -0.179 20 0 DBADRM NC(=O)COC1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001592727411 1016773276 /nfs/dbraw/zinc/77/32/76/1016773276.db2.gz HOECUSHYOSHAAS-UHFFFAOYSA-N -1 0 304.314 -0.873 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)C1=COCCO1 ZINC001592730543 1016776667 /nfs/dbraw/zinc/77/66/67/1016776667.db2.gz VSWJPNAMJMWEBB-SECBINFHSA-N -1 0 322.321 -0.256 20 0 DBADRM CC(=O)N[C@@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001427954902 1003506482 /nfs/dbraw/zinc/50/64/82/1003506482.db2.gz RGSKBNGUMJLFLQ-JTQLQIEISA-N -1 0 309.326 -0.754 20 0 DBADRM C[C@](CO)(NC(=O)CCn1cnc2ccccc2c1=O)C(=O)[O-] ZINC001592742544 1016783376 /nfs/dbraw/zinc/78/33/76/1016783376.db2.gz PKAQWTQDOPDYMO-OAHLLOKOSA-N -1 0 319.317 -0.262 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)Cc1noc2c1CCCC2)C(=O)[O-] ZINC001592749116 1016792935 /nfs/dbraw/zinc/79/29/35/1016792935.db2.gz CXYUAQHKAVWXNH-LBPRGKRZSA-N -1 0 318.351 -0.192 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001416799086 1003533979 /nfs/dbraw/zinc/53/39/79/1003533979.db2.gz WTPMSBLAENRDMC-REIXXSIJSA-N -1 0 323.353 -0.644 20 0 DBADRM C[C@](CO)(NC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C(=O)[O-] ZINC001592739662 1016785517 /nfs/dbraw/zinc/78/55/17/1016785517.db2.gz PEIGQSWUMZKTKM-CQSZACIVSA-N -1 0 309.322 -0.184 20 0 DBADRM C[C@](CO)(NC(=O)Cc1ccc(-n2cnnc2)cc1)C(=O)[O-] ZINC001592740579 1016786459 /nfs/dbraw/zinc/78/64/59/1016786459.db2.gz ZHYHWQNHKWSULP-CQSZACIVSA-N -1 0 304.306 -0.238 20 0 DBADRM C[C@@](CO)(NC(=O)c1cnc(C2OCCO2)s1)C(=O)[O-] ZINC001592744601 1016788125 /nfs/dbraw/zinc/78/81/25/1016788125.db2.gz MWRGBQYXGWVRHJ-NSHDSACASA-N -1 0 302.308 -0.246 20 0 DBADRM C[C@](CO)(NC(=O)/C=C\c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC001592744066 1016789112 /nfs/dbraw/zinc/78/91/12/1016789112.db2.gz XTBLTSZUYBJMKH-KTLBGCOUSA-N -1 0 317.319 -0.352 20 0 DBADRM C[C@](CO)(NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC001592743448 1016789943 /nfs/dbraw/zinc/78/99/43/1016789943.db2.gz VTNCCIVCAPIXTK-ZUZCIYMTSA-N -1 0 306.318 -0.009 20 0 DBADRM CC(C)(C)N1CCC[C@@H](C(=O)N[C@@](C)(CO)C(=O)[O-])C1=O ZINC001592744613 1016790072 /nfs/dbraw/zinc/79/00/72/1016790072.db2.gz ZVAHAGZPDVAPPY-XPTSAGLGSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1CCC1 ZINC001416866494 1003604109 /nfs/dbraw/zinc/60/41/09/1003604109.db2.gz GVKLUIBKGUYYRB-QMMMGPOBSA-N -1 0 308.338 -0.480 20 0 DBADRM O=C(CCCF)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001428144408 1003620392 /nfs/dbraw/zinc/62/03/92/1003620392.db2.gz RAWBNBLKSOGTDA-ZETCQYMHSA-N -1 0 313.289 -0.637 20 0 DBADRM Nc1nnc(CC(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)s1 ZINC001592764189 1016800031 /nfs/dbraw/zinc/80/00/31/1016800031.db2.gz LFPPWTZLPABWEK-UHFFFAOYSA-N -1 0 318.322 -0.047 20 0 DBADRM O=C(C1CC1)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001592774533 1016800410 /nfs/dbraw/zinc/80/04/10/1016800410.db2.gz KFHIFTPFQZRADW-VIFPVBQESA-N -1 0 300.326 -0.499 20 0 DBADRM C[C@H](CN1CCOCC1)N(C)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001592788187 1016801242 /nfs/dbraw/zinc/80/12/42/1016801242.db2.gz PNQOACQPVAQIIK-GHMZBOCLSA-N -1 0 308.400 -0.311 20 0 DBADRM Nc1nnc(CCNC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)o1 ZINC001592763542 1016801521 /nfs/dbraw/zinc/80/15/21/1016801521.db2.gz ALLQOJZNKBRPMH-UHFFFAOYSA-N -1 0 316.281 -0.490 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@@H](n2ccnn2)C1)C(=O)[O-] ZINC001592799177 1016802440 /nfs/dbraw/zinc/80/24/40/1016802440.db2.gz SUVIKFVPWXXJHT-NXEZZACHSA-N -1 0 302.356 -0.035 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)C(=O)[O-] ZINC001592789699 1016802923 /nfs/dbraw/zinc/80/29/23/1016802923.db2.gz MQDDMGGEDYZWGK-XFWSIPNHSA-N -1 0 304.368 -0.377 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC(F)(F)[C@H](CO)C1)C(=O)[O-] ZINC001592798102 1016802945 /nfs/dbraw/zinc/80/29/45/1016802945.db2.gz KPWHOBQWEDUQKA-YUMQZZPRSA-N -1 0 301.311 -0.014 20 0 DBADRM C[C@@H](CS(=O)(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)C(=O)[O-] ZINC001592789510 1016802989 /nfs/dbraw/zinc/80/29/89/1016802989.db2.gz IJZCFUPRNCYSDH-CQFDHEJISA-N -1 0 318.351 -0.979 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC(c2nnnn2C)CC1)C(=O)[O-] ZINC001592797217 1016803132 /nfs/dbraw/zinc/80/31/32/1016803132.db2.gz AHZZTZQIWOVBEU-QMMMGPOBSA-N -1 0 317.371 -0.560 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)Cc2ccn(C)n2)c1[O-] ZINC001416892274 1003644186 /nfs/dbraw/zinc/64/41/86/1003644186.db2.gz FSCLYPFZPMVSTB-QMMMGPOBSA-N -1 0 320.353 -0.366 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCOC[C@H]1c1ccnn1C)C(=O)[O-] ZINC001592800136 1016803689 /nfs/dbraw/zinc/80/36/89/1016803689.db2.gz KVCFFJYMYOAZFH-ONGXEEELSA-N -1 0 317.367 -0.156 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC([C@@H](F)C(N)=O)CC1)C(=O)[O-] ZINC001592799584 1016804387 /nfs/dbraw/zinc/80/43/87/1016804387.db2.gz VPYLTMAGRKUEHW-VXNVDRBHSA-N -1 0 310.347 -0.428 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)C2=CCOCC2)c1[O-] ZINC001495973296 1016805209 /nfs/dbraw/zinc/80/52/09/1016805209.db2.gz XMPUWQCWYSKAGA-UHFFFAOYSA-N -1 0 308.338 -0.041 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001592813508 1016805550 /nfs/dbraw/zinc/80/55/50/1016805550.db2.gz ARDBYUJXABSQIZ-UFBFGSQYSA-N -1 0 318.351 -0.501 20 0 DBADRM C[C@H](CS(C)(=O)=O)N1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001592815909 1016805756 /nfs/dbraw/zinc/80/57/56/1016805756.db2.gz KTOFIVUJVSFDPX-HRDYMLBCSA-N -1 0 318.351 -0.453 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001592814523 1016805942 /nfs/dbraw/zinc/80/59/42/1016805942.db2.gz SZJPEEPMKHURPL-UWVGGRQHSA-N -1 0 306.384 -0.858 20 0 DBADRM C[C@H](CS(=O)(=O)NCc1ncc2c(n1)CCOC2)C(=O)[O-] ZINC001592814844 1016806131 /nfs/dbraw/zinc/80/61/31/1016806131.db2.gz CZPOHDOGJKRMPC-MRVPVSSYSA-N -1 0 315.351 -0.311 20 0 DBADRM O=C(CC[C@@H]1CCOC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592833709 1016807816 /nfs/dbraw/zinc/80/78/16/1016807816.db2.gz RRAAANNTSCJEPZ-SECBINFHSA-N -1 0 306.330 -0.609 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001592816362 1016808628 /nfs/dbraw/zinc/80/86/28/1016808628.db2.gz RMJSRCKHRZCLPT-YIZRAAEISA-N -1 0 308.356 -0.697 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001416933463 1003702393 /nfs/dbraw/zinc/70/23/93/1003702393.db2.gz ZLTHUBNHUZGWLI-BEYHFKMWSA-N -1 0 308.338 -0.449 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)[C@H]1CCCS1(=O)=O)C(=O)[O-] ZINC001592917719 1016814579 /nfs/dbraw/zinc/81/45/79/1016814579.db2.gz SIAHKDZFKJQQJN-BXKDBHETSA-N -1 0 315.351 -0.580 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)nc1)[N-]S(=O)(=O)CC1CC1 ZINC001592915882 1016814694 /nfs/dbraw/zinc/81/46/94/1016814694.db2.gz VKNLMYJIAZQZKB-UHFFFAOYSA-N -1 0 322.350 -0.340 20 0 DBADRM C[C@@H](Cc1c[nH]cn1)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001592907716 1016815507 /nfs/dbraw/zinc/81/55/07/1016815507.db2.gz QEVZFQNYFBOMAS-QMMMGPOBSA-N -1 0 304.310 -0.039 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)[C@@H]1CCNC(=O)CC1)C(=O)[O-] ZINC001592916283 1016815569 /nfs/dbraw/zinc/81/55/69/1016815569.db2.gz DGUSHBMWRGTBFP-HZMBPMFUSA-N -1 0 308.338 -0.241 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)[C@@H]1CCNC(=O)CC1)C(=O)[O-] ZINC001592916284 1016815671 /nfs/dbraw/zinc/81/56/71/1016815671.db2.gz DGUSHBMWRGTBFP-IINYFYTJSA-N -1 0 308.338 -0.241 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC001592941375 1016821049 /nfs/dbraw/zinc/82/10/49/1016821049.db2.gz ZWPFXUXZWNKBGY-AEJSXWLSSA-N -1 0 316.325 -0.835 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCc1ccccc1F ZINC001592941347 1016821178 /nfs/dbraw/zinc/82/11/78/1016821178.db2.gz XYYMJFSLGNNDNA-UHFFFAOYSA-N -1 0 316.300 -0.044 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccnc2ccncc21 ZINC001592941817 1016822972 /nfs/dbraw/zinc/82/29/72/1016822972.db2.gz LOUXMMQWQIDUNK-UHFFFAOYSA-N -1 0 322.292 -0.538 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccc2[nH]cnc2c1 ZINC001592940832 1016821632 /nfs/dbraw/zinc/82/16/32/1016821632.db2.gz BQYMIAXWNWJHIN-UHFFFAOYSA-N -1 0 324.308 -0.349 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001416989292 1003728858 /nfs/dbraw/zinc/72/88/58/1003728858.db2.gz TUJGKLFFMVDBIE-SCZZXKLOSA-N -1 0 323.353 -0.721 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCCc1ccco1 ZINC001592941352 1016822035 /nfs/dbraw/zinc/82/20/35/1016822035.db2.gz YNRGYWDLDSPQRB-UHFFFAOYSA-N -1 0 302.298 -0.200 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC[C@@H]1CCCOC1 ZINC001592941341 1016822177 /nfs/dbraw/zinc/82/21/77/1016822177.db2.gz XILUGHMMCWYYOO-VIFPVBQESA-N -1 0 306.330 -0.609 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCC[C@H]1CCCCO1 ZINC001592940941 1016822310 /nfs/dbraw/zinc/82/23/10/1016822310.db2.gz KTYZFNBBCLVZAC-SNVBAGLBSA-N -1 0 320.357 -0.076 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)/C=C/CN1CCOCC1)C(=O)[O-] ZINC001592917996 1016816989 /nfs/dbraw/zinc/81/69/89/1016816989.db2.gz XMHPDFVLXRFYSD-OMDKTOEGSA-N -1 0 322.365 -0.269 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)c1ccc(C(N)=O)nc1)C(=O)[O-] ZINC001592924930 1016817390 /nfs/dbraw/zinc/81/73/90/1016817390.db2.gz NSEVSYJSJWPMKZ-AWEZNQCLSA-N -1 0 317.305 -0.350 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001592926726 1016817502 /nfs/dbraw/zinc/81/75/02/1016817502.db2.gz XRLYGYBKVFYVEF-PGUXBMHVSA-N -1 0 322.365 -0.043 20 0 DBADRM C[C@](Cn1cccn1)(NS(=O)(=O)C[C@@H]1CCCO1)C(=O)[O-] ZINC001592926614 1016817612 /nfs/dbraw/zinc/81/76/12/1016817612.db2.gz TYCWOWKILMRQAX-CMPLNLGQSA-N -1 0 317.367 -0.175 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001592929739 1016817710 /nfs/dbraw/zinc/81/77/10/1016817710.db2.gz BLNDKHDDYPLMAX-MRVPVSSYSA-N -1 0 320.309 -0.542 20 0 DBADRM Cc1conc1CN(C)CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001438928713 1003765578 /nfs/dbraw/zinc/76/55/78/1003765578.db2.gz PYTHUEHTHVHCFP-UHFFFAOYSA-N -1 0 324.341 -0.424 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1COC2(CCC2)C1 ZINC001592939715 1016818909 /nfs/dbraw/zinc/81/89/09/1016818909.db2.gz JHXOGRBPPDGLOQ-QMMMGPOBSA-N -1 0 304.314 -0.714 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H](c1ncon1)C1CC1 ZINC001592939424 1016819003 /nfs/dbraw/zinc/81/90/03/1016819003.db2.gz ARMAYQONCJCZAG-MRVPVSSYSA-N -1 0 316.285 -0.891 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NCCCC1CC1 ZINC001592935337 1016819303 /nfs/dbraw/zinc/81/93/03/1016819303.db2.gz FXQQQFACBHKFSD-UHFFFAOYSA-N -1 0 319.325 -0.565 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001592931274 1016819739 /nfs/dbraw/zinc/81/97/39/1016819739.db2.gz LJNSSJZMHOLTQF-ONGXEEELSA-N -1 0 311.342 -0.466 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCc2nc(F)ccc21 ZINC001592939758 1016819758 /nfs/dbraw/zinc/81/97/58/1016819758.db2.gz KBBZDHIUIMIKMH-UHFFFAOYSA-N -1 0 315.272 -0.418 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H](CCO)c1ccco1 ZINC001592939742 1016820109 /nfs/dbraw/zinc/82/01/09/1016820109.db2.gz JUNIHALWRJXBLY-MRVPVSSYSA-N -1 0 318.297 -0.709 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1CCC[C@@H](O)C1 ZINC001592940849 1016820680 /nfs/dbraw/zinc/82/06/80/1016820680.db2.gz DDJWNBIDMPJNEK-RKDXNWHRSA-N -1 0 306.330 -0.875 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc(O)cc1F ZINC001592941513 1016820881 /nfs/dbraw/zinc/82/08/81/1016820881.db2.gz CEYHVIPKOCAPQJ-UHFFFAOYSA-N -1 0 304.245 -0.058 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)[C@@H](C)c1ccccc1 ZINC001592970155 1016827022 /nfs/dbraw/zinc/82/70/22/1016827022.db2.gz CYXATGACNWTKEK-GHMZBOCLSA-N -1 0 320.345 -0.047 20 0 DBADRM CCC(=O)N[C@H]1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001428253307 1003805508 /nfs/dbraw/zinc/80/55/08/1003805508.db2.gz DCEAOENZEJQZGC-OCAPTIKFSA-N -1 0 309.326 -0.611 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1cnn(C)c1 ZINC001592970313 1016827207 /nfs/dbraw/zinc/82/72/07/1016827207.db2.gz FHXYAYPIRCXEOU-KOLCDFICSA-N -1 0 324.337 -0.701 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001592981107 1016827395 /nfs/dbraw/zinc/82/73/95/1016827395.db2.gz OCXKEDUKUDXBSQ-NAKRPEOUSA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001592981109 1016827407 /nfs/dbraw/zinc/82/74/07/1016827407.db2.gz OCXKEDUKUDXBSQ-ZDCRXTMVSA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ncnn1C ZINC001592970809 1016827539 /nfs/dbraw/zinc/82/75/39/1016827539.db2.gz KWQHFGVBLJUDGM-SDBXPKJASA-N -1 0 309.326 -0.685 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)[C@H]1CCCOC1 ZINC001592977848 1016827738 /nfs/dbraw/zinc/82/77/38/1016827738.db2.gz GLBZDKFXQSCJSF-BDAKNGLRSA-N -1 0 324.337 -0.012 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ncnn1C ZINC001592970806 1016827826 /nfs/dbraw/zinc/82/78/26/1016827826.db2.gz KWQHFGVBLJUDGM-AMIZOPFISA-N -1 0 309.326 -0.685 20 0 DBADRM O=C(NC1(CNC(=O)C2CCC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001417093448 1003814524 /nfs/dbraw/zinc/81/45/24/1003814524.db2.gz SXMCSYLFXHNAEE-UHFFFAOYSA-N -1 0 307.310 -0.539 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1nnc2n1CCC2 ZINC001592971573 1016828112 /nfs/dbraw/zinc/82/81/12/1016828112.db2.gz QUJUBBRLTICFSE-RKDXNWHRSA-N -1 0 321.337 -0.665 20 0 DBADRM C[C@@H](C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1)C1CC1 ZINC001417123976 1003826402 /nfs/dbraw/zinc/82/64/02/1003826402.db2.gz RAVQLORQUMFZQE-MRVPVSSYSA-N -1 0 323.353 -0.500 20 0 DBADRM O=C(Cn1ncnn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001592942836 1016823224 /nfs/dbraw/zinc/82/32/24/1016823224.db2.gz BHWVQVKNULVGQX-UHFFFAOYSA-N -1 0 312.706 -0.398 20 0 DBADRM COCCN(CCNC(C)=O)C(=O)c1c[n-]n2c1nccc2=O ZINC001428401648 1003831289 /nfs/dbraw/zinc/83/12/89/1003831289.db2.gz LZPWNASSKYSYBX-UHFFFAOYSA-N -1 0 321.337 -0.753 20 0 DBADRM O=C(NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1)C1=CCCC1 ZINC001417173711 1003837659 /nfs/dbraw/zinc/83/76/59/1003837659.db2.gz DKLZIGPBQMNGEF-UHFFFAOYSA-N -1 0 319.321 -0.228 20 0 DBADRM CC(=O)N1CCC([C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001428436145 1003838654 /nfs/dbraw/zinc/83/86/54/1003838654.db2.gz LMRQZHPLRVFTAS-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM CC[C@H](C)C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001417181287 1003839662 /nfs/dbraw/zinc/83/96/62/1003839662.db2.gz ZOPARJCSHDDAJL-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@H](C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(F)F ZINC001428526204 1003853571 /nfs/dbraw/zinc/85/35/71/1003853571.db2.gz CWFOHGWATWNVTO-NTSWFWBYSA-N -1 0 321.284 -0.646 20 0 DBADRM C[C@H](C[C@@H](C)NC(=O)C(F)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001428526211 1003854077 /nfs/dbraw/zinc/85/40/77/1003854077.db2.gz CWFOHGWATWNVTO-PHDIDXHHSA-N -1 0 321.284 -0.646 20 0 DBADRM C[C@@]1(NC(=O)CC2CC2)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001417298835 1003861920 /nfs/dbraw/zinc/86/19/20/1003861920.db2.gz MYNHYCKJIYDCJD-CQSZACIVSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1)C1(CO)CC1 ZINC001592990912 1016828856 /nfs/dbraw/zinc/82/88/56/1016828856.db2.gz JMMUWPMFTFCINX-MRVPVSSYSA-N -1 0 307.306 -0.005 20 0 DBADRM CC(=O)NC[C@]1(O)CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001417421308 1003873686 /nfs/dbraw/zinc/87/36/86/1003873686.db2.gz GHNFZJIMWNANHR-CQSZACIVSA-N -1 0 320.305 -0.359 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1cccn(C2CC2)c1=O ZINC001417582108 1003891916 /nfs/dbraw/zinc/89/19/16/1003891916.db2.gz HBDWHBLIAYUUIW-UHFFFAOYSA-N -1 0 304.310 -0.510 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H](C)n1cccn1 ZINC001439298104 1003896509 /nfs/dbraw/zinc/89/65/09/1003896509.db2.gz ADCSIAQMSLLDLN-UWVGGRQHSA-N -1 0 307.358 -0.096 20 0 DBADRM CNS(=O)(=O)c1cccc(CNC(=O)c2cc(=O)n(C)[n-]2)c1 ZINC001417609011 1003897185 /nfs/dbraw/zinc/89/71/85/1003897185.db2.gz YDECOBYGRIOXTH-UHFFFAOYSA-N -1 0 324.362 -0.036 20 0 DBADRM CCNC(=O)CCC(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001439305932 1003897590 /nfs/dbraw/zinc/89/75/90/1003897590.db2.gz QOAGJUHYWBCSGT-VIFPVBQESA-N -1 0 312.374 -0.637 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cccnc1N1CCOCC1 ZINC001417619555 1003901357 /nfs/dbraw/zinc/90/13/57/1003901357.db2.gz FPVWDYNKSOWTLW-UHFFFAOYSA-N -1 0 320.309 -0.440 20 0 DBADRM C[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1nccc(N)n1 ZINC001593025500 1016833572 /nfs/dbraw/zinc/83/35/72/1016833572.db2.gz BSXWHFWXSLODEL-RKDXNWHRSA-N -1 0 321.337 -0.441 20 0 DBADRM C[C@](NC(=O)CN1CCNC(=O)C1)(C(=O)[O-])c1ccccc1 ZINC001593027340 1016833806 /nfs/dbraw/zinc/83/38/06/1016833806.db2.gz ABKRRXGTEOCVQB-OAHLLOKOSA-N -1 0 305.334 -0.466 20 0 DBADRM C[C@H](NC(=O)COC(=O)c1cncc(C(=O)[O-])c1)C(=O)N(C)C ZINC001593031314 1016834582 /nfs/dbraw/zinc/83/45/82/1016834582.db2.gz WAFUUVTUQPYQKF-QMMMGPOBSA-N -1 0 323.305 -0.471 20 0 DBADRM C[C@H](NC(=O)COC(=O)c1cc(C(=O)[O-])no1)C(=O)N(C)C ZINC001593029205 1016834672 /nfs/dbraw/zinc/83/46/72/1016834672.db2.gz BBMUTIAWGULJQP-LURJTMIESA-N -1 0 313.266 -0.878 20 0 DBADRM O=C(COCc1cc[nH]c(=O)c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001417636373 1003927419 /nfs/dbraw/zinc/92/74/19/1003927419.db2.gz YBIFOJGNRJRBJS-SNVBAGLBSA-N -1 0 320.309 -0.583 20 0 DBADRM CC(=O)NC1CCC(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CC1 ZINC001417635749 1003927905 /nfs/dbraw/zinc/92/79/05/1003927905.db2.gz FQVQBDLSYPKKKP-HTAVTVPLSA-N -1 0 322.369 -0.206 20 0 DBADRM O=C(N[C@H]1CC[S@@](=O)C1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001592995755 1016829618 /nfs/dbraw/zinc/82/96/18/1016829618.db2.gz JXJKNFFLPOWDAW-HXNGOWOSSA-N -1 0 307.335 -0.177 20 0 DBADRM Cc1nocc1CN(C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001439344880 1003937818 /nfs/dbraw/zinc/93/78/18/1003937818.db2.gz JCCVPVIQBQMXHP-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM C[C@H](NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)c1nncn1C ZINC001593053706 1016835516 /nfs/dbraw/zinc/83/55/16/1016835516.db2.gz LGQJRRKZJISWTH-WPRPVWTQSA-N -1 0 311.342 -0.257 20 0 DBADRM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001417660215 1003945290 /nfs/dbraw/zinc/94/52/90/1003945290.db2.gz OECXLLZWUXCXFP-FQJNGZCASA-N -1 0 316.383 -0.115 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)c3c[n-]ncc3=O)C2=O)n(C)n1 ZINC001417658749 1003946252 /nfs/dbraw/zinc/94/62/52/1003946252.db2.gz KVXISUBMKRMRNZ-JTQLQIEISA-N -1 0 316.321 -0.241 20 0 DBADRM C[C@@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)C1N=NC(=O)N1C ZINC001593061763 1016836322 /nfs/dbraw/zinc/83/63/22/1016836322.db2.gz DFRJYNLTQAQFBW-SFYZADRCSA-N -1 0 313.314 -0.533 20 0 DBADRM C[C@@H](NC(=O)NCCC(=O)NCCC(=O)[O-])[C@@H]1CCOC1 ZINC001593088851 1016841242 /nfs/dbraw/zinc/84/12/42/1016841242.db2.gz NBJVNYCWZUEJSQ-NXEZZACHSA-N -1 0 301.343 -0.308 20 0 DBADRM O=C(NCCCNc1ccnc(-c2nnn[n-]2)n1)[C@@H]1CC12CC2 ZINC001593076505 1016837745 /nfs/dbraw/zinc/83/77/45/1016837745.db2.gz SKTIPUSFWLMGPD-VIFPVBQESA-N -1 0 314.353 -0.203 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccc(F)cc1 ZINC001417702133 1003983993 /nfs/dbraw/zinc/98/39/93/1003983993.db2.gz LGHGGOSJWYPXRB-CYBMUJFWSA-N -1 0 310.285 -0.148 20 0 DBADRM O=C(NCCCn1cncn1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001593083027 1016838972 /nfs/dbraw/zinc/83/89/72/1016838972.db2.gz VNEJXDZFVTZHNJ-UHFFFAOYSA-N -1 0 314.309 -0.016 20 0 DBADRM C[C@](O)(CNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccc(F)cc1 ZINC001417702134 1003984490 /nfs/dbraw/zinc/98/44/90/1003984490.db2.gz LGHGGOSJWYPXRB-ZDUSSCGKSA-N -1 0 310.285 -0.148 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnn(C2CCC2)c1 ZINC001417713666 1003995310 /nfs/dbraw/zinc/99/53/10/1003995310.db2.gz YDZUOTALUFHFSP-UHFFFAOYSA-N -1 0 314.367 -0.196 20 0 DBADRM C[C@@H](NC(=O)NCCC(=O)NCCC(=O)[O-])c1ncn(C)n1 ZINC001593088871 1016840558 /nfs/dbraw/zinc/84/05/58/1016840558.db2.gz NLLCMVIIZOMQIF-MRVPVSSYSA-N -1 0 312.330 -0.844 20 0 DBADRM CO[C@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CCO1 ZINC001417718485 1004003657 /nfs/dbraw/zinc/00/36/57/1004003657.db2.gz UEICAZFACOHZQD-LLVKDONJSA-N -1 0 304.310 -0.480 20 0 DBADRM O=C(NCCNCc1cnon1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001593088431 1016840853 /nfs/dbraw/zinc/84/08/53/1016840853.db2.gz IKCWFCZLNADAHC-UHFFFAOYSA-N -1 0 303.286 -0.903 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001417729861 1004010487 /nfs/dbraw/zinc/01/04/87/1004010487.db2.gz KCFPDJADVGASNN-PELKAZGASA-N -1 0 300.315 -0.874 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1occ2c1CCC2 ZINC001593111954 1016845185 /nfs/dbraw/zinc/84/51/85/1016845185.db2.gz DZBMPHQKVXJHSL-UHFFFAOYSA-N -1 0 314.309 -0.030 20 0 DBADRM C[C@@](O)(CC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001439519781 1004029280 /nfs/dbraw/zinc/02/92/80/1004029280.db2.gz DEJNCSRZSZJZPR-IINYFYTJSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccn(C(F)F)n1 ZINC001593112626 1016845765 /nfs/dbraw/zinc/84/57/65/1016845765.db2.gz OHLHLGWUSJTHRE-UHFFFAOYSA-N -1 0 324.255 -0.520 20 0 DBADRM CC(C)[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](O)C(F)(F)F ZINC001417814650 1004048020 /nfs/dbraw/zinc/04/80/20/1004048020.db2.gz HDPVOSQATBMYOD-BQBZGAKWSA-N -1 0 312.248 -0.247 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC001417814577 1004049500 /nfs/dbraw/zinc/04/95/00/1004049500.db2.gz FAPNTNDBDLUAFD-BQBZGAKWSA-N -1 0 324.259 -0.291 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ncc(C(=O)[O-])s1 ZINC001593138803 1016847509 /nfs/dbraw/zinc/84/75/09/1016847509.db2.gz MNNXDAQZVQNWNG-UHNVWZDZSA-N -1 0 312.307 -0.383 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1Cc1cccnc1 ZINC001439569032 1004052201 /nfs/dbraw/zinc/05/22/01/1004052201.db2.gz GRHFGHDVBSUXRB-NSHDSACASA-N -1 0 318.337 -0.525 20 0 DBADRM O=C(NCCc1n[n-]c(=S)o1)c1cc(-c2nn[nH]n2)ccn1 ZINC001593106735 1016842849 /nfs/dbraw/zinc/84/28/49/1016842849.db2.gz GNONIPSBZBKHLV-UHFFFAOYSA-N -1 0 318.322 -0.094 20 0 DBADRM O=C(NCCc1n[n-]c(=S)o1)c1ccc(-c2nn[nH]n2)cn1 ZINC001593107232 1016843577 /nfs/dbraw/zinc/84/35/77/1016843577.db2.gz WSYACJSJLBJJRA-UHFFFAOYSA-N -1 0 318.322 -0.094 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CCC[C@H](F)C1 ZINC001593109059 1016843630 /nfs/dbraw/zinc/84/36/30/1016843630.db2.gz HAMJMPKWKMSSFK-QMMMGPOBSA-N -1 0 309.309 -0.398 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)C1SCCS1 ZINC001593108674 1016843680 /nfs/dbraw/zinc/84/36/80/1016843680.db2.gz BUJBXFRGTAUWJW-UHFFFAOYSA-N -1 0 312.384 -0.620 20 0 DBADRM COCC1(O)CN(C(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001417880470 1004085602 /nfs/dbraw/zinc/08/56/02/1004085602.db2.gz LLZFXMDZWMASLJ-UHFFFAOYSA-N -1 0 318.127 -0.222 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H](C)NC(=O)c1cn[nH]c1 ZINC001593183687 1016852861 /nfs/dbraw/zinc/85/28/61/1016852861.db2.gz LQHSBOYEPDLKPA-SFYZADRCSA-N -1 0 304.310 -0.061 20 0 DBADRM C[C@@H](NC(=O)c1cn[nH]c1)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593183685 1016852987 /nfs/dbraw/zinc/85/29/87/1016852987.db2.gz LQHSBOYEPDLKPA-HTQZYQBOSA-N -1 0 304.310 -0.061 20 0 DBADRM C[C@H](NC(=O)c1cnn(C)c1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593185537 1016853088 /nfs/dbraw/zinc/85/30/88/1016853088.db2.gz ZQDNHTKHICYQCU-IUCAKERBSA-N -1 0 318.337 -0.051 20 0 DBADRM O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1CCC1 ZINC001417914215 1004102821 /nfs/dbraw/zinc/10/28/21/1004102821.db2.gz HJKHWLIWQXIJHR-UHFFFAOYSA-N -1 0 308.386 -0.456 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C1(S(C)(=O)=O)CC1 ZINC001593142506 1016848237 /nfs/dbraw/zinc/84/82/37/1016848237.db2.gz VKRFEZXFVAEAST-HLTSFMKQSA-N -1 0 305.352 -0.300 20 0 DBADRM CN(C(=O)CCc1cnccn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001439750481 1004106655 /nfs/dbraw/zinc/10/66/55/1004106655.db2.gz YEVBLTLCUOYKLJ-UHFFFAOYSA-N -1 0 317.353 -0.424 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H](C)NC(=O)c1ccnn1C ZINC001593181147 1016850936 /nfs/dbraw/zinc/85/09/36/1016850936.db2.gz HXMDWZQBPKOGAB-BDAKNGLRSA-N -1 0 318.337 -0.051 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CCO1 ZINC001417972467 1004145265 /nfs/dbraw/zinc/14/52/65/1004145265.db2.gz SYZTVMYWWYLWDD-BXKDBHETSA-N -1 0 318.337 -0.703 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001593181854 1016851374 /nfs/dbraw/zinc/85/13/74/1016851374.db2.gz WVVHOCCMHFTGCS-QMMMGPOBSA-N -1 0 321.293 -0.496 20 0 DBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC001593276144 1016857344 /nfs/dbraw/zinc/85/73/44/1016857344.db2.gz HCOYIZLBXHKRIO-QMMMGPOBSA-N -1 0 323.334 -0.038 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CNC(=O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001418019640 1004164771 /nfs/dbraw/zinc/16/47/71/1004164771.db2.gz VOZHJGWOVXVKLH-ZETCQYMHSA-N -1 0 317.305 -0.390 20 0 DBADRM O=C(NC[C@@H](CO)c1ccc(F)cc1)c1n[nH]c(=O)[n-]c1=O ZINC001418019642 1004164966 /nfs/dbraw/zinc/16/49/66/1004164966.db2.gz VQZZLJOKVGVIIB-QMMMGPOBSA-N -1 0 308.269 -0.072 20 0 DBADRM Cn1cccc1C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001439983541 1004169087 /nfs/dbraw/zinc/16/90/87/1004169087.db2.gz NUBYPGZTUQOKNK-AWEZNQCLSA-N -1 0 320.353 -0.784 20 0 DBADRM C[C@@H](NS(=O)(=O)CCCC(=O)[O-])[C@@H]1CN(C)CCN1C ZINC001593318620 1016859266 /nfs/dbraw/zinc/85/92/66/1016859266.db2.gz DMMQNTHWUIMUES-MNOVXSKESA-N -1 0 307.416 -0.595 20 0 DBADRM O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001593315606 1016858337 /nfs/dbraw/zinc/85/83/37/1016858337.db2.gz VKSNWEDEVTWKKS-LURJTMIESA-N -1 0 300.286 -0.662 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001593274637 1016856041 /nfs/dbraw/zinc/85/60/41/1016856041.db2.gz PZSZBHWXVIPBPU-UHFFFAOYSA-N -1 0 323.334 -0.097 20 0 DBADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC001593279368 1016856212 /nfs/dbraw/zinc/85/62/12/1016856212.db2.gz HULLFORCZHNEMJ-QMMMGPOBSA-N -1 0 310.295 -0.891 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1cc(-c3nn[nH]n3)ccn1)C2 ZINC001593279128 1016856779 /nfs/dbraw/zinc/85/67/79/1016856779.db2.gz RSAURIPXGZCAPZ-NOZJJQNGSA-N -1 0 302.294 -0.201 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CC[C@H](O)[C@@H](CO)C1 ZINC001593348370 1016865444 /nfs/dbraw/zinc/86/54/44/1016865444.db2.gz VFLWIFRQLAYYLZ-KCJUWKMLSA-N -1 0 304.310 -0.923 20 0 DBADRM C[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])[C@@H]1CN(C)CCN1C ZINC001593319414 1016860276 /nfs/dbraw/zinc/86/02/76/1016860276.db2.gz PREVSHOJUAIJDM-QWRGUYRKSA-N -1 0 321.443 -0.349 20 0 DBADRM CC[C@@H](C)C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)OC ZINC001418179506 1004246850 /nfs/dbraw/zinc/24/68/50/1004246850.db2.gz OHMZMKVFLIMAPM-HTQZYQBOSA-N -1 0 300.315 -0.217 20 0 DBADRM C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)[C@H]1CN(C)CCO1 ZINC001593320118 1016861011 /nfs/dbraw/zinc/86/10/11/1016861011.db2.gz TWXIWFOALNPOKA-NXEZZACHSA-N -1 0 306.384 -0.510 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)C(=O)NCCF ZINC001593327072 1016861048 /nfs/dbraw/zinc/86/10/48/1016861048.db2.gz UVRVTQPMZUTQLY-SSDOTTSWSA-N -1 0 321.330 -0.524 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])no1)c1ncnn1C ZINC001593331616 1016861854 /nfs/dbraw/zinc/86/18/54/1016861854.db2.gz ZYWHNLHOTUPWJD-RXMQYKEDSA-N -1 0 301.284 -0.459 20 0 DBADRM C[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1N=NC(=O)N1C ZINC001593324754 1016861912 /nfs/dbraw/zinc/86/19/12/1016861912.db2.gz DJDVBXJPRSHTLW-LYFYHCNISA-N -1 0 304.328 -0.636 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CC[C@@H](O)[C@H](CO)C1 ZINC001593348369 1016865584 /nfs/dbraw/zinc/86/55/84/1016865584.db2.gz VFLWIFRQLAYYLZ-GZMMTYOYSA-N -1 0 304.310 -0.923 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCn2ncnc2C1 ZINC001593335148 1016862834 /nfs/dbraw/zinc/86/28/34/1016862834.db2.gz NUGXFOYKHIXKFQ-UHFFFAOYSA-N -1 0 312.293 -0.180 20 0 DBADRM O=C(c1ccsc1-c1nn[nH]n1)N1C[C@@H](CO)[C@H](CO)C1 ZINC001593362572 1016865630 /nfs/dbraw/zinc/86/56/30/1016865630.db2.gz UVLLSTMFWFSLKS-YUMQZZPRSA-N -1 0 309.351 -0.399 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CCC(CO)(CO)CC1 ZINC001593348187 1016865254 /nfs/dbraw/zinc/86/52/54/1016865254.db2.gz PAPTUGCUVIXMNG-UHFFFAOYSA-N -1 0 318.337 -0.531 20 0 DBADRM O=C(c1ccnc(-c2nn[nH]n2)c1)N1CCO[C@]2(CCOC2)C1 ZINC001593358457 1016865323 /nfs/dbraw/zinc/86/53/23/1016865323.db2.gz IHVMVDNOXSMMKW-CQSZACIVSA-N -1 0 316.321 -0.107 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NCc1cscn1 ZINC001418250717 1004296551 /nfs/dbraw/zinc/29/65/51/1004296551.db2.gz SADYHNOOXALXOO-ZCFIWIBFSA-N -1 0 310.339 -0.353 20 0 DBADRM O=C(c1cnccc1-c1nn[nH]n1)N1CC(N2CCOCC2)C1 ZINC001593363070 1016865788 /nfs/dbraw/zinc/86/57/88/1016865788.db2.gz LLXDJCPVJIGBFU-UHFFFAOYSA-N -1 0 315.337 -0.582 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001593348353 1016866236 /nfs/dbraw/zinc/86/62/36/1016866236.db2.gz UCTDMEBTXFSTLL-KWQFWETISA-N -1 0 304.310 -0.923 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1C[C@H](CCO)[C@H](CO)C1 ZINC001593348445 1016866344 /nfs/dbraw/zinc/86/63/44/1016866344.db2.gz YNCMLHHBEJIOKB-UWVGGRQHSA-N -1 0 318.337 -0.675 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CCC(O)(CO)CC1 ZINC001593347647 1016866723 /nfs/dbraw/zinc/86/67/23/1016866723.db2.gz DIGDSCNTGKPYQA-UHFFFAOYSA-N -1 0 304.310 -0.779 20 0 DBADRM O=C(N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21)c1cc(=O)[nH][n-]1 ZINC001593381996 1016867155 /nfs/dbraw/zinc/86/71/55/1016867155.db2.gz SCQJCCVZIOHZEN-SNVBAGLBSA-N -1 0 311.305 -0.154 20 0 DBADRM Cc1nc(CN[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)oc1C ZINC001418302115 1004324181 /nfs/dbraw/zinc/32/41/81/1004324181.db2.gz JXFRQUASWNOJDA-ZETCQYMHSA-N -1 0 324.341 -0.411 20 0 DBADRM O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001593390564 1016870579 /nfs/dbraw/zinc/87/05/79/1016870579.db2.gz MBMDONGEXSZEIA-MRVPVSSYSA-N -1 0 316.277 -0.893 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001418388900 1004370354 /nfs/dbraw/zinc/37/03/54/1004370354.db2.gz XFGKBMQXMZXIGT-NXEZZACHSA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC(=O)C[C@H]1C1CC1 ZINC001593395162 1016872564 /nfs/dbraw/zinc/87/25/64/1016872564.db2.gz RVWYFPOZPGRLOM-JTQLQIEISA-N -1 0 316.325 -0.572 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCNC(=O)CC1 ZINC001593395231 1016873935 /nfs/dbraw/zinc/87/39/35/1016873935.db2.gz WXULABDBCQGIAC-UHFFFAOYSA-N -1 0 302.294 -0.466 20 0 DBADRM O=C1CCCc2c1cn(CCOCCO)c(=O)c2-c1nnn[n-]1 ZINC001593395744 1016874028 /nfs/dbraw/zinc/87/40/28/1016874028.db2.gz ZOMBGMASXFQNMX-UHFFFAOYSA-N -1 0 319.321 -0.444 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1cnc(-c2ccccc2)n1)C(=O)[O-] ZINC001593404990 1016874723 /nfs/dbraw/zinc/87/47/23/1016874723.db2.gz IARPEBFUWGOLCG-CQSZACIVSA-N -1 0 304.306 -0.103 20 0 DBADRM C[C@](O)(CNC(=O)Cn1cnc(-c2ccccc2)n1)C(=O)[O-] ZINC001593404989 1016874879 /nfs/dbraw/zinc/87/48/79/1016874879.db2.gz IARPEBFUWGOLCG-AWEZNQCLSA-N -1 0 304.306 -0.103 20 0 DBADRM C[C@](O)(CNC(=O)c1cccc(N2CCNC2=O)c1)C(=O)[O-] ZINC001593412036 1016878034 /nfs/dbraw/zinc/87/80/34/1016878034.db2.gz WRMCKHZYIKZWSX-AWEZNQCLSA-N -1 0 307.306 -0.218 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)NCCN(C)Cc2nn(C)c(=O)[n-]2)CCO1 ZINC001418511745 1004442393 /nfs/dbraw/zinc/44/23/93/1004442393.db2.gz DVUNQGYDUUNNKK-MNOVXSKESA-N -1 0 311.386 -0.529 20 0 DBADRM CN(CCNC(=O)c1cnn(CC2CC2)c1)Cc1n[nH]c(=O)[n-]1 ZINC001418513972 1004446533 /nfs/dbraw/zinc/44/65/33/1004446533.db2.gz HOOBPKJMEQCJJQ-UHFFFAOYSA-N -1 0 319.369 -0.021 20 0 DBADRM Cc1conc1CN(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001418516657 1004447218 /nfs/dbraw/zinc/44/72/18/1004447218.db2.gz JKWAJRRSUNTEJT-UHFFFAOYSA-N -1 0 310.314 -0.766 20 0 DBADRM O=C1OCC[C@H]2CN(c3ccnc(-c4nnn[n-]4)n3)CCN12 ZINC001593414293 1016879176 /nfs/dbraw/zinc/87/91/76/1016879176.db2.gz IKADGRZNSRDAJW-QMMMGPOBSA-N -1 0 302.298 -0.312 20 0 DBADRM C[C@](O)(CO)CNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001593419651 1016879494 /nfs/dbraw/zinc/87/94/94/1016879494.db2.gz MXPQRFAOKNCAIZ-CQSZACIVSA-N -1 0 310.306 -0.888 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC001418547681 1004469472 /nfs/dbraw/zinc/46/94/72/1004469472.db2.gz UUAWRNBNQSSPIU-LURJTMIESA-N -1 0 310.232 -0.131 20 0 DBADRM COC(=O)NC1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001418561345 1004476702 /nfs/dbraw/zinc/47/67/02/1004476702.db2.gz KNBWEINFPLHBRC-UHFFFAOYSA-N -1 0 319.321 -0.017 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001593427350 1016881463 /nfs/dbraw/zinc/88/14/63/1016881463.db2.gz WKQVWMOMTYFVJP-JYKYOLJQSA-N -1 0 310.350 -0.513 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)OCC(=O)C1(C(=O)[O-])CC1 ZINC001593428199 1016881682 /nfs/dbraw/zinc/88/16/82/1016881682.db2.gz WJCCZAKDGBDFDE-AWEZNQCLSA-N -1 0 323.301 -0.424 20 0 DBADRM CCN(CCNC(=O)CCc1cn(C)nn1)Cc1n[nH]c(=O)[n-]1 ZINC001418581755 1004485565 /nfs/dbraw/zinc/48/55/65/1004485565.db2.gz DCOPPZYLDUTSJL-UHFFFAOYSA-N -1 0 322.373 -0.790 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001593425184 1016881868 /nfs/dbraw/zinc/88/18/68/1016881868.db2.gz FOFGEQYGRCURQE-GHORINQJSA-N -1 0 324.377 -0.169 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001593426562 1016882101 /nfs/dbraw/zinc/88/21/01/1016882101.db2.gz SHAHWFFYXJDWOT-WPRPVWTQSA-N -1 0 300.355 -0.121 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001593424880 1016882125 /nfs/dbraw/zinc/88/21/25/1016882125.db2.gz BNOUFAGGQUYQFJ-GEYZGQBZSA-N -1 0 312.366 -0.169 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)OCC(=O)C1(C(=O)[O-])CC1 ZINC001593431807 1016884054 /nfs/dbraw/zinc/88/40/54/1016884054.db2.gz IGZIEAICWJXXJO-XVKPBYJWSA-N -1 0 313.306 -0.761 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001418618889 1004502518 /nfs/dbraw/zinc/50/25/18/1004502518.db2.gz WTFPLDCLGJRRHX-DTWKUNHWSA-N -1 0 310.358 -0.898 20 0 DBADRM C[C@]1(C(=O)NCc2nc([O-])cc(=O)[nH]2)CCCS1(=O)=O ZINC001418627234 1004509038 /nfs/dbraw/zinc/50/90/38/1004509038.db2.gz VQZZUYAXXPUMFW-LLVKDONJSA-N -1 0 301.324 -0.529 20 0 DBADRM O=S(=O)(N[C@H](CCO)C1CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593430160 1016883745 /nfs/dbraw/zinc/88/37/45/1016883745.db2.gz JCNVTCBRLHCEQF-MRVPVSSYSA-N -1 0 313.339 -0.101 20 0 DBADRM O=S(=O)(NC[C@@H]1COCO1)c1ccsc1-c1nnn[n-]1 ZINC001593435623 1016884406 /nfs/dbraw/zinc/88/44/06/1016884406.db2.gz NSHSTCVCSHAGDS-ZCFIWIBFSA-N -1 0 317.352 -0.421 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCOC[C@H]1C[C@@H](C)O)C(=O)[O-] ZINC001593448802 1016889695 /nfs/dbraw/zinc/88/96/95/1016889695.db2.gz VCESBZDBBKEOPG-WZRBSPASSA-N -1 0 302.371 -0.317 20 0 DBADRM O=S(=O)(NCC1(CO)CCC1)c1cccnc1-c1nnn[n-]1 ZINC001593432649 1016884546 /nfs/dbraw/zinc/88/45/46/1016884546.db2.gz PHOPWEUVDDZCDT-UHFFFAOYSA-N -1 0 324.366 -0.297 20 0 DBADRM O=S(=O)(NC/C=C\CO)c1ccsc1-c1nnn[n-]1 ZINC001593438640 1016885803 /nfs/dbraw/zinc/88/58/03/1016885803.db2.gz MOMAQGUZGYLKOY-UPHRSURJSA-N -1 0 301.353 -0.245 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1 ZINC001593438887 1016885860 /nfs/dbraw/zinc/88/58/60/1016885860.db2.gz WRIFEKVHXNBXJX-YWDSYVAPSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)C1 ZINC001593436421 1016885894 /nfs/dbraw/zinc/88/58/94/1016885894.db2.gz LPNULRLCJOLZLN-DDHJBXDOSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H](O)[C@H]1CN(CC(=O)NC2(C(=O)[O-])CCCCC2)CCO1 ZINC001593442079 1016887079 /nfs/dbraw/zinc/88/70/79/1016887079.db2.gz KPUJBQOKHYPZHW-NWDGAFQWSA-N -1 0 314.382 -0.028 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001418676672 1004557329 /nfs/dbraw/zinc/55/73/29/1004557329.db2.gz JWPZAGKYGBXSCU-LBPRGKRZSA-N -1 0 321.362 -0.160 20 0 DBADRM C[C@H](O)[C@H]1CN(S(=O)(=O)c2occc2C(=O)[O-])CCO1 ZINC001593442381 1016888119 /nfs/dbraw/zinc/88/81/19/1016888119.db2.gz ONKMXZUDUBTDER-IONNQARKSA-N -1 0 305.308 -0.252 20 0 DBADRM O=S(=O)(NCCOCCO)c1ccsc1-c1nnn[n-]1 ZINC001593439796 1016888326 /nfs/dbraw/zinc/88/83/26/1016888326.db2.gz HLUWMEGCSUTJEC-UHFFFAOYSA-N -1 0 319.368 -0.785 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001593440780 1016888498 /nfs/dbraw/zinc/88/84/98/1016888498.db2.gz BCIBWLAOECROLN-UWVGGRQHSA-N -1 0 301.343 -0.620 20 0 DBADRM C[C@H](O)[C@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])n2)CCO1 ZINC001593441878 1016888649 /nfs/dbraw/zinc/88/86/49/1016888649.db2.gz JDCQOWQJPQPSGI-GXSJLCMTSA-N -1 0 309.322 -0.200 20 0 DBADRM C[C@H](O)[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CCO1 ZINC001593443288 1016888660 /nfs/dbraw/zinc/88/86/60/1016888660.db2.gz YATFXOOFAYINDA-VHSXEESVSA-N -1 0 307.368 -0.347 20 0 DBADRM CC(C)N(C[C@H](C)O)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001593447219 1016889355 /nfs/dbraw/zinc/88/93/55/1016889355.db2.gz QERTXNKFZBUBNZ-QWRGUYRKSA-N -1 0 300.355 -0.073 20 0 DBADRM O=S(=O)([N-]c1ncccn1)c1cncc(-c2nn[nH]n2)c1 ZINC001593446845 1016889433 /nfs/dbraw/zinc/88/94/33/1016889433.db2.gz CZRYXECXHCVIMX-UHFFFAOYSA-N -1 0 304.295 -0.148 20 0 DBADRM O=S(=O)(N[C@H]1[C@@H]2COC[C@@H]21)c1ccsc1-c1nnn[n-]1 ZINC001593445774 1016889918 /nfs/dbraw/zinc/88/99/18/1016889918.db2.gz ITMGZLLUGJPVLZ-BDINMYNLSA-N -1 0 313.364 -0.149 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1)C1CC1 ZINC001593446376 1016890120 /nfs/dbraw/zinc/89/01/20/1016890120.db2.gz GDWWILJOKQOCLC-ONGXEEELSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H](O)C[C@@H]1COCCN1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001593446829 1016890368 /nfs/dbraw/zinc/89/03/68/1016890368.db2.gz FKIDSMFBRQTHPI-IRCOFANPSA-N -1 0 316.354 -0.343 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001593458106 1016890906 /nfs/dbraw/zinc/89/09/06/1016890906.db2.gz YIYYLFDMERYECJ-BRPSZJMVSA-N -1 0 322.350 -0.880 20 0 DBADRM C[C@H](O)CN(CCO)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001593458784 1016891564 /nfs/dbraw/zinc/89/15/64/1016891564.db2.gz HTZRTLXGOIFOFL-VIFPVBQESA-N -1 0 314.342 -0.090 20 0 DBADRM C[C@@H](O)CN(C(=O)Nc1c(C(=O)[O-])cnn1C)[C@H](C)CO ZINC001593456778 1016891569 /nfs/dbraw/zinc/89/15/69/1016891569.db2.gz NCMRGSVRCKDJIB-HTQZYQBOSA-N -1 0 300.315 -0.286 20 0 DBADRM O=C(Cc1cnoc1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001418780131 1004638733 /nfs/dbraw/zinc/63/87/33/1004638733.db2.gz HVGRLPGSJCETEI-UHFFFAOYSA-N -1 0 306.326 -0.178 20 0 DBADRM O=C(C[C@@H]1CCC(=O)N1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001418787649 1004642440 /nfs/dbraw/zinc/64/24/40/1004642440.db2.gz IFZFPURMGPZZPT-VIFPVBQESA-N -1 0 322.369 -0.740 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CCc2c[nH]cn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001418801321 1004652037 /nfs/dbraw/zinc/65/20/37/1004652037.db2.gz LVEVOZHHEWTCNF-KOLCDFICSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@H](O)c1cn(CC(=O)NC2(C(=O)[O-])CCSCC2)nn1 ZINC001593477260 1016896191 /nfs/dbraw/zinc/89/61/91/1016896191.db2.gz NJJJLPYBFIPKMT-QMMMGPOBSA-N -1 0 314.367 -0.202 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N[C@@H](C(=O)[O-])c2cccnc2)nn1 ZINC001593477190 1016896343 /nfs/dbraw/zinc/89/63/43/1016896343.db2.gz LAPVSAPLJHPPOU-PRHODGIISA-N -1 0 305.294 -0.332 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])nn1 ZINC001593476838 1016896365 /nfs/dbraw/zinc/89/63/65/1016896365.db2.gz AVDFOWKCPQBRBF-HTRCEHHLSA-N -1 0 304.253 -0.348 20 0 DBADRM C[C@H](O)c1cn(C2CN(C(=O)CCSCC(=O)[O-])C2)nn1 ZINC001593477036 1016896416 /nfs/dbraw/zinc/89/64/16/1016896416.db2.gz GOKQOLGQWBSXIS-QMMMGPOBSA-N -1 0 314.367 -0.077 20 0 DBADRM C[C@H](OC(=O)C1(C(=O)[O-])CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001593490395 1016897094 /nfs/dbraw/zinc/89/70/94/1016897094.db2.gz CFBSSJZCERXZSU-YUMQZZPRSA-N -1 0 319.335 -0.914 20 0 DBADRM C[C@H](OC(=O)[C@H](C)N1CCSCC1)C(=O)NCC(=O)[O-] ZINC001593485535 1016897171 /nfs/dbraw/zinc/89/71/71/1016897171.db2.gz RTEVFWCUDDTAPC-IUCAKERBSA-N -1 0 304.368 -0.444 20 0 DBADRM O=c1c(-c2nnn[n-]2)c2c(cn1CCn1cnnn1)CCCC2 ZINC001593491916 1016897762 /nfs/dbraw/zinc/89/77/62/1016897762.db2.gz BUFMFCVNWKNAPN-UHFFFAOYSA-N -1 0 313.325 -0.406 20 0 DBADRM O=c1[nH]nc(CNc2ccnc(-c3nnn[n-]3)n2)n1C1CC1 ZINC001593490308 1016898024 /nfs/dbraw/zinc/89/80/24/1016898024.db2.gz YSPYIEUYFWUGFO-UHFFFAOYSA-N -1 0 300.286 -0.677 20 0 DBADRM C[C@@H](OC(=O)[C@H](CO)NC(=O)c1ccccc1)C(=O)C(=O)[O-] ZINC001593484462 1016898078 /nfs/dbraw/zinc/89/80/78/1016898078.db2.gz JGIFREKCHSWTOR-SCZZXKLOSA-N -1 0 309.274 -0.637 20 0 DBADRM Cn1cc([C@@H]2C[C@H]2C(=O)N2CCOC[C@H]2c2nnn[n-]2)cn1 ZINC001418864110 1004690904 /nfs/dbraw/zinc/69/09/04/1004690904.db2.gz QWBDGRQAHFCNNG-AXFHLTTASA-N -1 0 303.326 -0.363 20 0 DBADRM O=C(c1cn2c(n1)CCCC2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001418864252 1004691716 /nfs/dbraw/zinc/69/17/16/1004691716.db2.gz WEIODCGHYBHORG-SNVBAGLBSA-N -1 0 303.326 -0.054 20 0 DBADRM CCOc1cnc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cn1 ZINC001418863709 1004692666 /nfs/dbraw/zinc/69/26/66/1004692666.db2.gz OEUFGTHHWDFXIK-SECBINFHSA-N -1 0 305.298 -0.398 20 0 DBADRM C[C@H](OC(=O)[C@]1(C)CCC(=O)NC1)c1cn(CC(=O)[O-])nn1 ZINC001593491724 1016898456 /nfs/dbraw/zinc/89/84/56/1016898456.db2.gz WGXCDNQJGMEBEU-ISVAXAHUSA-N -1 0 310.310 -0.117 20 0 DBADRM C[C@H](OC(=O)[C@H](C)S(C)(=O)=O)c1cn(CC(=O)[O-])nn1 ZINC001593485869 1016898469 /nfs/dbraw/zinc/89/84/69/1016898469.db2.gz VGGAWSJOIWCRGH-BQBZGAKWSA-N -1 0 305.312 -0.600 20 0 DBADRM C[C@@H](OC(=O)C(C)(CO)CO)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593483914 1016898569 /nfs/dbraw/zinc/89/85/69/1016898569.db2.gz BNDQMEYCOPOBSJ-SECBINFHSA-N -1 0 317.338 -0.768 20 0 DBADRM O=c1c(-c2nnn[n-]2)cccn1CN1CC[C@@H](C2OCCO2)C1 ZINC001593492804 1016898749 /nfs/dbraw/zinc/89/87/49/1016898749.db2.gz OWIVLPWRFRBUBI-SNVBAGLBSA-N -1 0 318.337 -0.319 20 0 DBADRM C[C@H](C(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1)S(C)(=O)=O ZINC001593485873 1016898881 /nfs/dbraw/zinc/89/88/81/1016898881.db2.gz VGGAWSJOIWCRGH-NKWVEPMBSA-N -1 0 305.312 -0.600 20 0 DBADRM C[C@@H](OC(=O)C1CCC(NC(N)=O)CC1)C(=O)NCC(=O)[O-] ZINC001593503504 1016899613 /nfs/dbraw/zinc/89/96/13/1016899613.db2.gz WLEYSBSLJXRICN-AFPNSQJFSA-N -1 0 315.326 -0.654 20 0 DBADRM O=c1[n-]c(C2CCN(c3cc(-c4nn[nH]n4)ncn3)CC2)n[nH]1 ZINC001593498374 1016899744 /nfs/dbraw/zinc/89/97/44/1016899744.db2.gz ZSVPAHVKDMCJRY-UHFFFAOYSA-N -1 0 314.313 -0.136 20 0 DBADRM CO[C@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)[C@@](C)(CO)C1 ZINC001418919522 1004715718 /nfs/dbraw/zinc/71/57/18/1004715718.db2.gz BZYUYAGZZNGNJE-RDDDGLTNSA-N -1 0 302.356 -0.399 20 0 DBADRM O[C@H](COc1ccc(F)nc1-c1nnn[n-]1)CN1CCOCC1 ZINC001593508776 1016900031 /nfs/dbraw/zinc/90/00/31/1016900031.db2.gz YPAXVADDYQJWLZ-VIFPVBQESA-N -1 0 324.316 -0.527 20 0 DBADRM O=c1cc(-c2nnn[n-]2)ncn1CC[S@](=O)C(F)(F)F ZINC001593494236 1016901090 /nfs/dbraw/zinc/90/10/90/1016901090.db2.gz PHXONDQYFHXJMG-FQEVSTJZSA-N -1 0 308.245 -0.308 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CC(=O)NCC3CC3)C2)c1[O-] ZINC001418964445 1004736363 /nfs/dbraw/zinc/73/63/63/1004736363.db2.gz IUERYMZEMDTWDM-UHFFFAOYSA-N -1 0 307.354 -0.636 20 0 DBADRM C[C@@H](OC(=O)CCC(=O)c1cnn(C)c1)C(=O)NCC(=O)[O-] ZINC001593516012 1016903010 /nfs/dbraw/zinc/90/30/10/1016903010.db2.gz PQWLAUBFTXZDOM-MRVPVSSYSA-N -1 0 311.294 -0.485 20 0 DBADRM C[C@H](OC(=O)CC(=O)NCC(F)(F)F)C(=O)NCC(=O)[O-] ZINC001593513829 1016903874 /nfs/dbraw/zinc/90/38/74/1016903874.db2.gz GGCZVPXJKATDGF-YFKPBYRVSA-N -1 0 314.216 -0.813 20 0 DBADRM C[C@H](OC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)C(=O)[O-] ZINC001593512770 1016903958 /nfs/dbraw/zinc/90/39/58/1016903958.db2.gz BIPLPPGDIGBBHX-NKWVEPMBSA-N -1 0 313.228 -0.165 20 0 DBADRM CCn1nncc1C(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001597973803 1017221734 /nfs/dbraw/zinc/22/17/34/1017221734.db2.gz GJZPHLLHFNIOFC-IUCAKERBSA-N -1 0 310.310 -0.224 20 0 DBADRM CCc1c[nH]c(CC(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001419020004 1004767785 /nfs/dbraw/zinc/76/77/85/1004767785.db2.gz BWYLCSFBWHNLRB-UHFFFAOYSA-N -1 0 319.369 -0.414 20 0 DBADRM C[C@H](OC(=O)CCC(=O)c1cnn(C)c1)C(=O)NCC(=O)[O-] ZINC001593516013 1016905222 /nfs/dbraw/zinc/90/52/22/1016905222.db2.gz PQWLAUBFTXZDOM-QMMMGPOBSA-N -1 0 311.294 -0.485 20 0 DBADRM C[C@H](OC(=O)CCCC(=O)[O-])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001593516974 1016905258 /nfs/dbraw/zinc/90/52/58/1016905258.db2.gz VWJDWHWPTYHZPM-UWVGGRQHSA-N -1 0 314.338 -0.103 20 0 DBADRM COC(=O)C1(O)CN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC001419028741 1004773716 /nfs/dbraw/zinc/77/37/16/1004773716.db2.gz RKWQUBCTIDPLOJ-UHFFFAOYSA-N -1 0 317.301 -0.062 20 0 DBADRM C[C@H](OC(=O)[C@@H]1COc2ccccc2O1)C(=O)NCC(=O)[O-] ZINC001593512798 1016905801 /nfs/dbraw/zinc/90/58/01/1016905801.db2.gz BPYULMQWZCRXDX-KWQFWETISA-N -1 0 309.274 -0.041 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N2CC[C@H](c3nnn[n-]3)C2)CC1 ZINC001419045307 1004783332 /nfs/dbraw/zinc/78/33/32/1004783332.db2.gz ZDKFYRUAQDFMPN-VIFPVBQESA-N -1 0 313.383 -0.270 20 0 DBADRM COc1ncnc(OC)c1C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001419043500 1004783175 /nfs/dbraw/zinc/78/31/75/1004783175.db2.gz PECKGBNVYKLFLR-ZETCQYMHSA-N -1 0 305.298 -0.363 20 0 DBADRM COCC1(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001419105882 1004808469 /nfs/dbraw/zinc/80/84/69/1004808469.db2.gz ABFWKRBWPWSLSY-JTQLQIEISA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C(=O)CCc1c[nH]cn1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001419111395 1004810423 /nfs/dbraw/zinc/81/04/23/1004810423.db2.gz JCRFFNDZKXVCFS-LLVKDONJSA-N -1 0 319.369 -0.101 20 0 DBADRM C[C@H](OC(=O)CCNC(=O)c1ccco1)C(=O)NCC(=O)[O-] ZINC001593526039 1016910381 /nfs/dbraw/zinc/91/03/81/1016910381.db2.gz QTYJOQPGHKNUHF-QMMMGPOBSA-N -1 0 312.278 -0.468 20 0 DBADRM C[C@H](OC(=O)Cc1ccc(C(N)=O)cc1)C(=O)NCC(=O)[O-] ZINC001593535742 1016912158 /nfs/dbraw/zinc/91/21/58/1016912158.db2.gz ZIASCBYBDPOYNH-QMMMGPOBSA-N -1 0 308.290 -0.540 20 0 DBADRM C[C@@H](OC(=O)COc1ccccc1C(N)=O)C(=O)NCC(=O)[O-] ZINC001593535683 1016913610 /nfs/dbraw/zinc/91/36/10/1016913610.db2.gz XXQYYTNDKSQTHS-MRVPVSSYSA-N -1 0 324.289 -0.703 20 0 DBADRM CS[C@H](C)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001419547538 1004897811 /nfs/dbraw/zinc/89/78/11/1004897811.db2.gz ASEXDDCFGBRSGN-BDAKNGLRSA-N -1 0 315.399 -0.421 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21)c1nnn[n-]1 ZINC001419553955 1004898090 /nfs/dbraw/zinc/89/80/90/1004898090.db2.gz NOXWPEPVKZJHBO-ZDCRXTMVSA-N -1 0 322.369 -0.302 20 0 DBADRM C[C@H](OC(=O)Cc1ccc(S(N)(=O)=O)s1)C(=O)C(=O)[O-] ZINC001593536944 1016917340 /nfs/dbraw/zinc/91/73/40/1016917340.db2.gz CRYYXYMJWGRAFH-YFKPBYRVSA-N -1 0 321.332 -0.477 20 0 DBADRM C[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(=O)NC(=O)NC1CC1 ZINC001593548007 1016917973 /nfs/dbraw/zinc/91/79/73/1016917973.db2.gz SNUHLZPEUCQSRT-CNUIFLNQSA-N -1 0 314.294 -0.462 20 0 DBADRM C[C@H](OC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)NC1CCCC1 ZINC001593541236 1016919328 /nfs/dbraw/zinc/91/93/28/1016919328.db2.gz BRRJUVAKATXVGJ-QMMMGPOBSA-N -1 0 310.310 -0.033 20 0 DBADRM Cn1cc([C@H](O)C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)cn1 ZINC001419600677 1004916483 /nfs/dbraw/zinc/91/64/83/1004916483.db2.gz ZUEBQFAJXOCNNP-CABZTGNLSA-N -1 0 305.342 -0.552 20 0 DBADRM C[C@@H](OC(=O)Cc1cnn2c1CCCC2)C(=O)NCC(=O)[O-] ZINC001593536925 1016920472 /nfs/dbraw/zinc/92/04/72/1016920472.db2.gz CDJYDSBELNDOEX-SECBINFHSA-N -1 0 309.322 -0.106 20 0 DBADRM c1cn(C[C@@H]2CN(c3ccnc(-c4nnn[n-]4)n3)CCO2)nn1 ZINC001593583233 1016924189 /nfs/dbraw/zinc/92/41/89/1016924189.db2.gz SHRCORYQKYNYPY-VIFPVBQESA-N -1 0 314.313 -0.846 20 0 DBADRM C[C@H](OC(=O)c1cccc(OCC(N)=O)c1)C(=O)NCC(=O)[O-] ZINC001593593458 1016931489 /nfs/dbraw/zinc/93/14/89/1016931489.db2.gz PFZONXRYSBIWPD-QMMMGPOBSA-N -1 0 324.289 -0.703 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Cc1cscn1 ZINC001419982611 1005040277 /nfs/dbraw/zinc/04/02/77/1005040277.db2.gz CQRANXFGMFLAIJ-UHFFFAOYSA-N -1 0 324.366 -0.057 20 0 DBADRM C[C@@H](OCc1ccncc1)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001593611045 1016932346 /nfs/dbraw/zinc/93/23/46/1016932346.db2.gz NZRKWWWXCVQMON-ZYHUDNBSSA-N -1 0 321.333 -0.212 20 0 DBADRM C[C@@H](S[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC001593659380 1016932746 /nfs/dbraw/zinc/93/27/46/1016932746.db2.gz SJVVCEZEUVQNJL-NTSWFWBYSA-N -1 0 315.351 -0.556 20 0 DBADRM CC[C@H](NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001593623793 1016933141 /nfs/dbraw/zinc/93/31/41/1016933141.db2.gz QAUNUTIQNDPAOB-IUCAKERBSA-N -1 0 313.397 -0.406 20 0 DBADRM C[C@@H](OC[C@H]1CCCO1)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001593606546 1016933325 /nfs/dbraw/zinc/93/33/25/1016933325.db2.gz RSWWANNDEITJMU-GHMZBOCLSA-N -1 0 316.354 -0.332 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001593606043 1016933374 /nfs/dbraw/zinc/93/33/74/1016933374.db2.gz HUFFYUHRUCHFHX-USZNOCQGSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@@H](Oc1ccccn1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001593656152 1016933705 /nfs/dbraw/zinc/93/37/05/1016933705.db2.gz SCZYBIXASAPNQQ-SECBINFHSA-N -1 0 305.294 -0.045 20 0 DBADRM C[C@@]1(C(=O)N2CC(O)(C(=O)[O-])C2)Cc2ccccc2C(=O)O1 ZINC001593745291 1016934356 /nfs/dbraw/zinc/93/43/56/1016934356.db2.gz JLJRIFHDXRKHTD-AWEZNQCLSA-N -1 0 305.286 -0.184 20 0 DBADRM C[C@@H](c1nncn1C)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001593738221 1016935291 /nfs/dbraw/zinc/93/52/91/1016935291.db2.gz QUKUATUTSVPOOZ-IUCAKERBSA-N -1 0 302.356 -0.550 20 0 DBADRM C[C@]1(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)CCCS1(=O)=O ZINC001593748941 1016937907 /nfs/dbraw/zinc/93/79/07/1016937907.db2.gz DQVOIRFDLSVUCM-GIPNMCIBSA-N -1 0 319.379 -0.193 20 0 DBADRM C[C@]1(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])CCCS1(=O)=O ZINC001593749767 1016938140 /nfs/dbraw/zinc/93/81/40/1016938140.db2.gz RRHKGLJGDFSUOH-PRHODGIISA-N -1 0 321.351 -0.714 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)c2nc3ncc(CCO)cn3n2)C1 ZINC001593808921 1016941577 /nfs/dbraw/zinc/94/15/77/1016941577.db2.gz XKLWCNVFLRBKOY-UHFFFAOYSA-N -1 0 305.294 -0.794 20 0 DBADRM C[C@@]1(C(N)=O)CCN(C(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001593815682 1016941715 /nfs/dbraw/zinc/94/17/15/1016941715.db2.gz OOVGPZARKSJRIN-CYBMUJFWSA-N -1 0 311.294 -0.387 20 0 DBADRM C[C@@]1(C(=O)NCCOCC(=O)[O-])Oc2ccccc2NC1=O ZINC001593753917 1016938316 /nfs/dbraw/zinc/93/83/16/1016938316.db2.gz KTSYVIHJUHHVJD-AWEZNQCLSA-N -1 0 308.290 -0.006 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@H](O)CN2c2ccncn2)C1 ZINC001593784417 1016938974 /nfs/dbraw/zinc/93/89/74/1016938974.db2.gz MLPXVANCQJKRIV-RWSFTLGLSA-N -1 0 320.349 -0.261 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cnc(N)nc2)C1 ZINC001593779380 1016939090 /nfs/dbraw/zinc/93/90/90/1016939090.db2.gz YYVHPCMFAXJRCL-LLVKDONJSA-N -1 0 300.340 -0.066 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(OCC(F)F)C2)C1 ZINC001593783499 1016939267 /nfs/dbraw/zinc/93/92/67/1016939267.db2.gz OBBWIVZEUBHGIH-CYBMUJFWSA-N -1 0 320.292 -0.198 20 0 DBADRM CC1(C)CNC(=O)[C@H]1NS(=O)(=O)c1occc1C(=O)[O-] ZINC001593948385 1016944433 /nfs/dbraw/zinc/94/44/33/1016944433.db2.gz COKUACRDEHEWCU-SSDOTTSWSA-N -1 0 302.308 -0.219 20 0 DBADRM CC1(C)CN(c2ncc(C(=O)[O-])cn2)C[C@H]1NC(=O)CC(N)=O ZINC001593948559 1016945102 /nfs/dbraw/zinc/94/51/02/1016945102.db2.gz FWTYMQAZGNYNFP-SECBINFHSA-N -1 0 321.337 -0.619 20 0 DBADRM C[C@@]1(CCC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CCC(=O)N1 ZINC001593999414 1016946503 /nfs/dbraw/zinc/94/65/03/1016946503.db2.gz MKZYXRVRKHSXDO-AWEZNQCLSA-N -1 0 321.337 -0.192 20 0 DBADRM C[C@]1(CC(=O)NC2CC(CC(=O)[O-])C2)CCS(=O)(=O)N1 ZINC001593997798 1016946530 /nfs/dbraw/zinc/94/65/30/1016946530.db2.gz QFYISLZMAKAPEQ-SHVIVCPWSA-N -1 0 304.368 -0.172 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1 ZINC001593997831 1016946798 /nfs/dbraw/zinc/94/67/98/1016946798.db2.gz BDKMTHSOBJYGBC-FXPVBKGRSA-N -1 0 303.311 -0.487 20 0 DBADRM C[C@@]1(CCC(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])CCC(=O)N1 ZINC001593999167 1016947022 /nfs/dbraw/zinc/94/70/22/1016947022.db2.gz GBYHUKHDZBXIAI-IINYFYTJSA-N -1 0 308.338 -0.099 20 0 DBADRM CC1(C)OC[C@@H]2C[C@@]21NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001593978036 1016947087 /nfs/dbraw/zinc/94/70/87/1016947087.db2.gz WFRSQWKBGHXWIA-FEUHOPSXSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@]1(CCCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])NC(=O)NC1=O ZINC001594002242 1016947548 /nfs/dbraw/zinc/94/75/48/1016947548.db2.gz RBSKTUQTCAVFSC-HBSDOPKDSA-N -1 0 313.310 -0.887 20 0 DBADRM C[C@@]1(C2CC2)CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC001593991569 1016947824 /nfs/dbraw/zinc/94/78/24/1016947824.db2.gz JWRZLVZFIBHKDG-BMIGLBTASA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@]1(CCC(=O)[O-])NC(=O)N(C[C@@]2(O)CCCOC2)C1=O ZINC001594003323 1016948391 /nfs/dbraw/zinc/94/83/91/1016948391.db2.gz UCNNQUSEUZSDSS-STQMWFEESA-N -1 0 300.311 -0.297 20 0 DBADRM CC1=C(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])SCCO1 ZINC001594090721 1016955313 /nfs/dbraw/zinc/95/53/13/1016955313.db2.gz QRHSSBRKKVIMKO-MRVPVSSYSA-N -1 0 300.336 -0.265 20 0 DBADRM C[C@]1(CCC(=O)[O-])NC(=O)N(C[C@@H]2C[C@H]3COC[C@@H]3O2)C1=O ZINC001594002310 1016949976 /nfs/dbraw/zinc/94/99/76/1016949976.db2.gz KDPBKOKWSMNELD-RUMNANIHSA-N -1 0 312.322 -0.034 20 0 DBADRM C[C@@]1(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)CCC(=O)N1 ZINC001594028213 1016950023 /nfs/dbraw/zinc/95/00/23/1016950023.db2.gz XIYTUUFIJDOHMD-NSHDSACASA-N -1 0 304.368 -0.171 20 0 DBADRM C[C@@]1(CCC(=O)[O-])NC(=O)N(CN2CCn3cncc3C2)C1=O ZINC001594002399 1016950759 /nfs/dbraw/zinc/95/07/59/1016950759.db2.gz UJWVADDWAQRZTK-AWEZNQCLSA-N -1 0 321.337 -0.169 20 0 DBADRM C[C@H](CN[C@H](C)c1ncccn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001420363122 1005230428 /nfs/dbraw/zinc/23/04/28/1005230428.db2.gz NKIKAPIKPYXGMT-RKDXNWHRSA-N -1 0 321.341 -0.665 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)OC)Cc1n[nH]c(=O)[n-]1 ZINC001420387526 1005240414 /nfs/dbraw/zinc/24/04/14/1005240414.db2.gz YQPBHNOABUIFFX-BDAKNGLRSA-N -1 0 311.342 -0.743 20 0 DBADRM C[C@]1(CS(=O)(=O)N[C@@H](CO)C(=O)[O-])CC1(Cl)Cl ZINC001594039038 1016952453 /nfs/dbraw/zinc/95/24/53/1016952453.db2.gz IDERTMZYRFFLAM-CAHLUQPWSA-N -1 0 306.167 -0.065 20 0 DBADRM C[C@@]1(CO)C[C@@H](O)CN1C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001594033096 1016952596 /nfs/dbraw/zinc/95/25/96/1016952596.db2.gz UTXIYQRYDPPUSO-CLAHSXSESA-N -1 0 324.337 -0.123 20 0 DBADRM CC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CCN(C(=O)c2cn[nH]n2)CC1 ZINC001594051267 1016954020 /nfs/dbraw/zinc/95/40/20/1016954020.db2.gz CLSRXTLWHTWPTH-DTWKUNHWSA-N -1 0 321.337 -0.364 20 0 DBADRM C[C@H](NC(=O)[C@@](C)(O)Cn1ccccc1=O)c1nn(C)cc1[O-] ZINC001420438195 1005259714 /nfs/dbraw/zinc/25/97/14/1005259714.db2.gz JQRJAIFCHHHXIH-BONVTDFDSA-N -1 0 320.349 -0.084 20 0 DBADRM C[C@@]1(F)CNCCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001594046776 1016954226 /nfs/dbraw/zinc/95/42/26/1016954226.db2.gz FPDMWHDPDJBUEL-CYBMUJFWSA-N -1 0 318.349 -0.690 20 0 DBADRM C[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C2 ZINC001594087541 1016954953 /nfs/dbraw/zinc/95/49/53/1016954953.db2.gz IHNZNRZTLNAQTF-OZWUEAAUSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@@]12CCC(=O)N1[C@H](C(=O)N[C@H]1CCO[C@H]1C(=O)[O-])CS2 ZINC001594085854 1016955115 /nfs/dbraw/zinc/95/51/15/1016955115.db2.gz QIGCLAASSRNUES-LSILLSHUSA-N -1 0 314.363 -0.201 20 0 DBADRM CC1(CCNC(=O)Cn2cccc(C(=O)[O-])c2=O)OCCO1 ZINC001594006509 1016949086 /nfs/dbraw/zinc/94/90/86/1016949086.db2.gz OYLNDYIZTCLVPT-UHFFFAOYSA-N -1 0 310.306 -0.184 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001420487086 1005275935 /nfs/dbraw/zinc/27/59/35/1005275935.db2.gz URMPKMMCIOCUEB-QWRGUYRKSA-N -1 0 324.385 -0.494 20 0 DBADRM COCCN(CCC(=O)OC)C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001594011560 1016949446 /nfs/dbraw/zinc/94/94/46/1016949446.db2.gz QETYMSWSBCXRPE-SECBINFHSA-N -1 0 302.283 -0.746 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001594126706 1016962727 /nfs/dbraw/zinc/96/27/27/1016962727.db2.gz RLQHKOWMCQEFQP-SCZZXKLOSA-N -1 0 311.338 -0.750 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001594127172 1016960923 /nfs/dbraw/zinc/96/09/23/1016960923.db2.gz WGMMKPDEAASMSR-BYYOYISRSA-N -1 0 323.349 -0.955 20 0 DBADRM C[C@H]1C(=O)N(C)CN1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001594130125 1016961923 /nfs/dbraw/zinc/96/19/23/1016961923.db2.gz YZXNDTILYVHFSJ-ZETCQYMHSA-N -1 0 312.351 -0.171 20 0 DBADRM C[C@@H]1C(=O)Nc2cc(C(=O)N[C@@H](CO)C(=O)[O-])ccc2N1C ZINC001594130319 1016961934 /nfs/dbraw/zinc/96/19/34/1016961934.db2.gz QLOPERPIMYQUCK-XCBNKYQSSA-N -1 0 307.306 -0.361 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1CCC(=O)NC1)Cc1n[nH]c(=O)[n-]1 ZINC001420587620 1005314433 /nfs/dbraw/zinc/31/44/33/1005314433.db2.gz IYDRBTXAIVPLLF-SNVBAGLBSA-N -1 0 324.385 -0.635 20 0 DBADRM COc1cccc(C[C@H](O)C(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC001594125945 1016962050 /nfs/dbraw/zinc/96/20/50/1016962050.db2.gz AXKCTODVWBXQQS-WFASDCNBSA-N -1 0 309.318 -0.042 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594125775 1016962212 /nfs/dbraw/zinc/96/22/12/1016962212.db2.gz LXRZCKUDNJADAB-VIFPVBQESA-N -1 0 306.322 -0.119 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001594129123 1016962220 /nfs/dbraw/zinc/96/22/20/1016962220.db2.gz BXXATKRJDYAYFB-ZETCQYMHSA-N -1 0 307.310 -0.120 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CN(C)C(=O)[C@@H]2C)C[C@]1(C)C(=O)[O-] ZINC001594127297 1016962294 /nfs/dbraw/zinc/96/22/94/1016962294.db2.gz YKXBEHDSTLUGMI-FZNYLWTLSA-N -1 0 311.338 -0.798 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001594129076 1016962350 /nfs/dbraw/zinc/96/23/50/1016962350.db2.gz BXXATKRJDYAYFB-SSDOTTSWSA-N -1 0 307.310 -0.120 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001594130615 1016962363 /nfs/dbraw/zinc/96/23/63/1016962363.db2.gz VWCGCXFKRALZMS-VIFPVBQESA-N -1 0 319.317 -0.401 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594129954 1016962464 /nfs/dbraw/zinc/96/24/64/1016962464.db2.gz KSMHVNPHRAAWGA-ZETCQYMHSA-N -1 0 306.278 -0.935 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@]1(F)CCOC1 ZINC001420617694 1005321596 /nfs/dbraw/zinc/32/15/96/1005321596.db2.gz WJOJZASDJFQVGG-PELKAZGASA-N -1 0 301.322 -0.425 20 0 DBADRM C[C@@]1(O)CCCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001594065500 1016955747 /nfs/dbraw/zinc/95/57/47/1016955747.db2.gz YPGFPZLRQHUVDH-IINYFYTJSA-N -1 0 314.338 -0.938 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@]1(F)CCOC1 ZINC001420617698 1005322168 /nfs/dbraw/zinc/32/21/68/1005322168.db2.gz WJOJZASDJFQVGG-UFBFGSQYSA-N -1 0 301.322 -0.425 20 0 DBADRM C[C@]1(c2ccc(C(=O)N3CC(C(=O)[O-])C3)cc2)NC(=O)NC1=O ZINC001594069935 1016956326 /nfs/dbraw/zinc/95/63/26/1016956326.db2.gz WHDKOMMVANQTGS-OAHLLOKOSA-N -1 0 317.301 -0.102 20 0 DBADRM CC1(OCC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CCC1 ZINC001594068631 1016956924 /nfs/dbraw/zinc/95/69/24/1016956924.db2.gz OXJMARCBEDQZJF-TVQRCGJNSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@]12COC[C@H]1CN(C(=O)C(=O)NC1CC(CC(=O)[O-])C1)C2 ZINC001594088587 1016956988 /nfs/dbraw/zinc/95/69/88/1016956988.db2.gz QZIJOGGMIKAPIQ-XSJLVCEYSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@@H]1C(=O)CC[C@@H]1CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594122771 1016957606 /nfs/dbraw/zinc/95/76/06/1016957606.db2.gz QSDLCNXXBPKFBU-AEJSXWLSSA-N -1 0 317.363 -0.298 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCOCC(F)F ZINC001594138157 1016963951 /nfs/dbraw/zinc/96/39/51/1016963951.db2.gz HZPXQBMSQLDUPO-JGVFFNPUSA-N -1 0 308.281 -0.294 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001594139776 1016965556 /nfs/dbraw/zinc/96/55/56/1016965556.db2.gz VSCNZLKMERTZOP-DVVUODLYSA-N -1 0 320.349 -0.295 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cccn(C)c1=O ZINC001594139506 1016966038 /nfs/dbraw/zinc/96/60/38/1016966038.db2.gz BLOKVFJNGHVEIF-IUCAKERBSA-N -1 0 307.306 -0.355 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCc1nnc2n1CCOC2 ZINC001594153112 1016967219 /nfs/dbraw/zinc/96/72/19/1016967219.db2.gz KXAILAXOLJHAKS-BDAKNGLRSA-N -1 0 309.326 -0.187 20 0 DBADRM COc1cnc(F)c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC001594154971 1016967418 /nfs/dbraw/zinc/96/74/18/1016967418.db2.gz PCHUENYYTLCXNY-UHFFFAOYSA-N -1 0 311.269 -0.402 20 0 DBADRM C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001594154150 1016967541 /nfs/dbraw/zinc/96/75/41/1016967541.db2.gz VJNOPELJUFPLGS-QCLAVDOMSA-N -1 0 304.368 -0.076 20 0 DBADRM COc1cnc([C@H]2CCCN2CC(=O)NCC(=O)[O-])[nH]c1=O ZINC001594153519 1016967842 /nfs/dbraw/zinc/96/78/42/1016967842.db2.gz ZFIHMSOAJWFKSA-MRVPVSSYSA-N -1 0 310.310 -0.472 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001594142256 1016968523 /nfs/dbraw/zinc/96/85/23/1016968523.db2.gz RFZKJLZTNFCWPX-UKXAOYPBSA-N -1 0 308.334 -0.400 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC001594140727 1016969048 /nfs/dbraw/zinc/96/90/48/1016969048.db2.gz GYHRWVHBGQGCFZ-JGVFFNPUSA-N -1 0 320.305 -0.559 20 0 DBADRM COc1cncc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])n1 ZINC001594155317 1016969921 /nfs/dbraw/zinc/96/99/21/1016969921.db2.gz VOSPCKYJSCNRKZ-MRVPVSSYSA-N -1 0 310.310 -0.463 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001594159422 1016970025 /nfs/dbraw/zinc/97/00/25/1016970025.db2.gz MWKNKWPAODGKHP-CYBMUJFWSA-N -1 0 308.294 -0.253 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001594159823 1016970346 /nfs/dbraw/zinc/97/03/46/1016970346.db2.gz YJVSZCWBKNGBCM-DTWKUNHWSA-N -1 0 322.321 -0.007 20 0 DBADRM CS(=O)(=O)CC1(C(=O)Nc2cc(C(=O)[O-])ccn2)COC1 ZINC001594163610 1016970588 /nfs/dbraw/zinc/97/05/88/1016970588.db2.gz GXQWYHRPISRSMT-UHFFFAOYSA-N -1 0 314.319 -0.221 20 0 DBADRM COc1cnc(F)c(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001594155340 1016971123 /nfs/dbraw/zinc/97/11/23/1016971123.db2.gz WNAASLJZVXBTKX-LBPRGKRZSA-N -1 0 315.257 -0.880 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC001594161294 1016971810 /nfs/dbraw/zinc/97/18/10/1016971810.db2.gz OFUNMRXYMMVZCV-SSDOTTSWSA-N -1 0 310.310 -0.169 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1 ZINC001594163725 1016973355 /nfs/dbraw/zinc/97/33/55/1016973355.db2.gz KCNRGYAJKMXWOM-ZETCQYMHSA-N -1 0 301.324 -0.385 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCN(CN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC001594163783 1016973466 /nfs/dbraw/zinc/97/34/66/1016973466.db2.gz KEJSMFPIPNNKJB-WDEREUQCSA-N -1 0 318.395 -0.366 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001594164329 1016973665 /nfs/dbraw/zinc/97/36/65/1016973665.db2.gz SFSCQWHUEMLTOD-XADBCAIWSA-N -1 0 317.319 -0.487 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001594178234 1016978742 /nfs/dbraw/zinc/97/87/42/1016978742.db2.gz IHUQTPKACGRUOA-FQEVSTJZSA-N -1 0 302.396 -0.236 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(C(=O)NCCCCC(=O)[O-])CCO1 ZINC001594165543 1016973764 /nfs/dbraw/zinc/97/37/64/1016973764.db2.gz UJOHKBVVOUJRGL-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001594164393 1016973811 /nfs/dbraw/zinc/97/38/11/1016973811.db2.gz UXHGMBHGNIUIHN-BXKDBHETSA-N -1 0 305.352 -0.487 20 0 DBADRM CS(=O)(=O)CCNC(=S)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001594165568 1016973826 /nfs/dbraw/zinc/97/38/26/1016973826.db2.gz VIATYAYJGXDUCP-VHSXEESVSA-N -1 0 320.436 -0.052 20 0 DBADRM CS(=O)(=O)CC1(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)COC1 ZINC001594164533 1016974041 /nfs/dbraw/zinc/97/40/41/1016974041.db2.gz YDDXOHYYRBMYKF-BDAKNGLRSA-N -1 0 305.352 -0.583 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001594170319 1016975448 /nfs/dbraw/zinc/97/54/48/1016975448.db2.gz XQRKSGBKUBXCGC-BXKDBHETSA-N -1 0 320.367 -0.840 20 0 DBADRM CS(=O)(=O)Cc1noc(NC(=O)[C@@H](C(=O)[O-])C2CC2)n1 ZINC001594167620 1016976225 /nfs/dbraw/zinc/97/62/25/1016976225.db2.gz BBGJXZAQVYSYQW-ZETCQYMHSA-N -1 0 303.296 -0.337 20 0 DBADRM CS(=O)(=O)Cc1n[nH]c(CNC(=O)[C@@H](C(=O)[O-])C2CC2)n1 ZINC001594167603 1016976301 /nfs/dbraw/zinc/97/63/01/1016976301.db2.gz ASWOSOIKBQGOQZ-VIFPVBQESA-N -1 0 316.339 -0.924 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)N2CC(C(=O)[O-])C2)o1 ZINC001594169501 1016976498 /nfs/dbraw/zinc/97/64/98/1016976498.db2.gz PYHFNULBPBPIRV-UHFFFAOYSA-N -1 0 302.308 -0.515 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CON2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001594169880 1016976591 /nfs/dbraw/zinc/97/65/91/1016976591.db2.gz LFOWJNRVVHCNHK-IUCAKERBSA-N -1 0 306.340 -0.867 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NCCC(=O)[O-] ZINC001594170365 1016976709 /nfs/dbraw/zinc/97/67/09/1016976709.db2.gz LUDHPPOHKGLXAJ-BDAKNGLRSA-N -1 0 307.372 -0.522 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)COCC(=O)[O-] ZINC001594169846 1016976886 /nfs/dbraw/zinc/97/68/86/1016976886.db2.gz BRHUBQQAIDYSHV-ZJUUUORDSA-N -1 0 322.383 -0.688 20 0 DBADRM CCN(CCNC(=O)C=C(C)C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001496638718 1016977127 /nfs/dbraw/zinc/97/71/27/1016977127.db2.gz KNZDFIDYNTXOQC-UHFFFAOYSA-N -1 0 311.342 -0.380 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001594169606 1016977215 /nfs/dbraw/zinc/97/72/15/1016977215.db2.gz YZVUWEGBNVTHCE-NXEZZACHSA-N -1 0 322.383 -0.688 20 0 DBADRM CS(=O)(=O)c1cccc(CNC(=O)COCC(=O)[O-])c1 ZINC001594174031 1016979212 /nfs/dbraw/zinc/97/92/12/1016979212.db2.gz DSYJWGACTXDOTL-UHFFFAOYSA-N -1 0 301.320 -0.193 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC001594170725 1016979445 /nfs/dbraw/zinc/97/94/45/1016979445.db2.gz STEWGGCCLVJRMS-WCBMZHEXSA-N -1 0 304.368 -0.505 20 0 DBADRM CS(=O)(=O)c1ccccc1CNC(=O)COCC(=O)[O-] ZINC001594176286 1016980078 /nfs/dbraw/zinc/98/00/78/1016980078.db2.gz ROAKGVCIUHPSHR-UHFFFAOYSA-N -1 0 301.320 -0.193 20 0 DBADRM C[C@@H](O)C1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC001594208703 1016985045 /nfs/dbraw/zinc/98/50/45/1016985045.db2.gz OUUWJBXOWUZHCY-MEBBXXQBSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CO)[C@H]2C)C[C@H]1C(=O)[O-] ZINC001594188917 1016981692 /nfs/dbraw/zinc/98/16/92/1016981692.db2.gz XYRFFKNEODOFRA-DDHJBXDOSA-N -1 0 312.366 -0.215 20 0 DBADRM CS(=O)(=O)c1nnc(CN[C@@]2(C(=O)[O-])CCOC2)s1 ZINC001594178586 1016981892 /nfs/dbraw/zinc/98/18/92/1016981892.db2.gz NMHLDYUHCOXERY-VIFPVBQESA-N -1 0 307.353 -0.725 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cn1nc(C(=O)[O-])ccc1=O ZINC001594179837 1016982074 /nfs/dbraw/zinc/98/20/74/1016982074.db2.gz RESAWLHMJXRLED-RKDXNWHRSA-N -1 0 315.351 -0.594 20 0 DBADRM C[C@@H]1CCCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)[C@@H]1CO ZINC001594212390 1016985108 /nfs/dbraw/zinc/98/51/08/1016985108.db2.gz MOJNVSPIXGDDRA-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1C[C@@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CCO1 ZINC001594203481 1016985281 /nfs/dbraw/zinc/98/52/81/1016985281.db2.gz MMMDMMOHHYEHOC-AVWBDOJWSA-N -1 0 319.379 -0.194 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)O[C@H]1C(=O)[O-] ZINC001594179677 1016982392 /nfs/dbraw/zinc/98/23/92/1016982392.db2.gz ODARNPWPKQJCHE-KAMPLNKDSA-N -1 0 319.379 -0.101 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc2c1CN(C)C2=O)C(=O)[O-] ZINC001594199731 1016983693 /nfs/dbraw/zinc/98/36/93/1016983693.db2.gz KJGDAUBSWDSSNN-SSDOTTSWSA-N -1 0 305.290 -0.200 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001594199262 1016983903 /nfs/dbraw/zinc/98/39/03/1016983903.db2.gz VTQRHMLQMMNTLW-VIFPVBQESA-N -1 0 307.306 -0.717 20 0 DBADRM C[C@@H](O)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC001594208588 1016984508 /nfs/dbraw/zinc/98/45/08/1016984508.db2.gz BUFGTUDBDNHHLW-USWWRNFRSA-N -1 0 306.318 -0.090 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CCO1 ZINC001594203485 1016984935 /nfs/dbraw/zinc/98/49/35/1016984935.db2.gz MMMDMMOHHYEHOC-ORXSELOVSA-N -1 0 319.379 -0.194 20 0 DBADRM CC1CC(C(=O)N[C@@H]2CN(c3ncc(C(=O)[O-])cn3)C[C@H]2O)C1 ZINC001594203819 1016985570 /nfs/dbraw/zinc/98/55/70/1016985570.db2.gz QROFROINJOLURT-ALWXLRNYSA-N -1 0 320.349 -0.113 20 0 DBADRM C[C@@H]1C[C@@H](C)[C@@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)O1 ZINC001594219852 1016986556 /nfs/dbraw/zinc/98/65/56/1016986556.db2.gz RZVJBBFUAUGRNF-JJKYCLHCSA-N -1 0 319.379 -0.196 20 0 DBADRM C[C@@H]1C[C@H](C)CN(C(=O)CN2[C@H](C(=O)[O-])CCS2(=O)=O)C1 ZINC001594222180 1016986677 /nfs/dbraw/zinc/98/66/77/1016986677.db2.gz WFTIFFBXVINARH-AXFHLTTASA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(C(=O)CN2[C@H](C(=O)[O-])CCS2(=O)=O)C1 ZINC001594222184 1016987149 /nfs/dbraw/zinc/98/71/49/1016987149.db2.gz WFTIFFBXVINARH-MXWKQRLJSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC001594225762 1016987584 /nfs/dbraw/zinc/98/75/84/1016987584.db2.gz SFNMKGZNCJXWMV-NRYLCXMISA-N -1 0 323.349 -0.066 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(CC(F)(F)CO)CC1 ZINC001594223899 1016987633 /nfs/dbraw/zinc/98/76/33/1016987633.db2.gz VPOCSHCYGPTWHW-RNCFNFMXSA-N -1 0 306.309 -0.131 20 0 DBADRM C[C@@H]1C[C@H](C)[C@@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)O1 ZINC001594219853 1016987882 /nfs/dbraw/zinc/98/78/82/1016987882.db2.gz RZVJBBFUAUGRNF-LTLNDHLXSA-N -1 0 319.379 -0.196 20 0 DBADRM C[C@@H]1C[C@H](C)CN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001594221604 1016988426 /nfs/dbraw/zinc/98/84/26/1016988426.db2.gz QVHGMGQSSMXPQD-USZNOCQGSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001594244530 1016990139 /nfs/dbraw/zinc/99/01/39/1016990139.db2.gz XBABKQOXBLEWMO-XMQPUEPBSA-N -1 0 324.377 -0.167 20 0 DBADRM C[C@H](NC(N)=O)C(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC001594240626 1016990344 /nfs/dbraw/zinc/99/03/44/1016990344.db2.gz DYSIZAFGKRFBJF-GUBZILKMSA-N -1 0 323.353 -0.506 20 0 DBADRM C[C@H]1C[C@H](CNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CCO1 ZINC001594238671 1016990944 /nfs/dbraw/zinc/99/09/44/1016990944.db2.gz DQVFFTZIUUARCM-DTWKUNHWSA-N -1 0 324.337 -0.012 20 0 DBADRM C[C@H](O)C1CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001594241774 1016990985 /nfs/dbraw/zinc/99/09/85/1016990985.db2.gz MDNUBXZHKDYSNK-JQWIXIFHSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CO1 ZINC001594250826 1016992092 /nfs/dbraw/zinc/99/20/92/1016992092.db2.gz YAZQEJRARGXNIF-ZKSVUJDCSA-N -1 0 310.350 -0.105 20 0 DBADRM C[C@]12CN(C(=O)[C@H](C(=O)[O-])C3CC3)C[C@H]1CS(=O)(=O)C2 ZINC001594247097 1016992565 /nfs/dbraw/zinc/99/25/65/1016992565.db2.gz JELNUZIUJXTFMW-OPQQBVKSSA-N -1 0 301.364 -0.010 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CS1 ZINC001594251403 1016994632 /nfs/dbraw/zinc/99/46/32/1016994632.db2.gz VXZMOWHAAJYPBB-DOLQZWNJSA-N -1 0 316.379 -0.709 20 0 DBADRM C[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)CCN1C(=O)CC(N)=O ZINC001594265670 1016995410 /nfs/dbraw/zinc/99/54/10/1016995410.db2.gz KHQYHAYIVVXSFQ-DTWKUNHWSA-N -1 0 321.337 -0.737 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)Cn2cc(C(=O)[O-])cn2)CS1(=O)=O ZINC001594313459 1016999904 /nfs/dbraw/zinc/99/99/04/1016999904.db2.gz JWWIESWQZWSESH-PSASIEDQSA-N -1 0 315.351 -0.337 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)[C@@H]1CCC[C@H](C)C1 ZINC001594356543 1017000116 /nfs/dbraw/zinc/00/01/16/1017000116.db2.gz WZCZXWRYGRILPC-GARJFASQSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)CC(N)=O)CN1c1ncc(C(=O)[O-])cn1 ZINC001594315239 1017000717 /nfs/dbraw/zinc/00/07/17/1017000717.db2.gz VWEUNXAIKRZSHF-PSASIEDQSA-N -1 0 321.337 -0.476 20 0 DBADRM C[C@@H]1C[C@H](NS(=O)(=O)c2scnc2C(=O)[O-])C(=O)O1 ZINC001594267115 1016995667 /nfs/dbraw/zinc/99/56/67/1016995667.db2.gz VGCGRSBBHBLXRY-UHNVWZDZSA-N -1 0 306.321 -0.176 20 0 DBADRM Cc1c(CN(C)C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])cnn1C ZINC001594261710 1016995746 /nfs/dbraw/zinc/99/57/46/1016995746.db2.gz KAKHISJHJXBDSU-SECBINFHSA-N -1 0 310.354 -0.134 20 0 DBADRM C[C@H]1C[C@@H](S(=O)(=O)NCCC(=O)NCCC(=O)[O-])CCO1 ZINC001594265589 1016995820 /nfs/dbraw/zinc/99/58/20/1016995820.db2.gz GKPDCYWBYCJHDK-UWVGGRQHSA-N -1 0 322.383 -0.546 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)CC2(C(=O)[O-])CC2)CC1=O ZINC001594276916 1016996138 /nfs/dbraw/zinc/99/61/38/1016996138.db2.gz KHQOWOJFTDYEAZ-BBBLOLIVSA-N -1 0 316.379 -0.220 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)nnn1C ZINC001594263316 1016996360 /nfs/dbraw/zinc/99/63/60/1016996360.db2.gz KTTSCGIOZKQGMD-SECBINFHSA-N -1 0 309.326 -0.321 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC001594259236 1016997447 /nfs/dbraw/zinc/99/74/47/1016997447.db2.gz BSWACMQRKPPXBZ-CPOMMVLXSA-N -1 0 306.322 -0.249 20 0 DBADRM Cc1c(C(=O)Nc2ncn(CC(=O)[O-])n2)nn2c1OCCC2 ZINC001594260743 1016997737 /nfs/dbraw/zinc/99/77/37/1016997737.db2.gz RTBGCXKEFLEJMG-UHFFFAOYSA-N -1 0 306.282 -0.098 20 0 DBADRM C[C@H]1CC[C@@H](NS(=O)(=O)CCCC(=O)[O-])CS1(=O)=O ZINC001594326185 1016999377 /nfs/dbraw/zinc/99/93/77/1016999377.db2.gz GKUWISATMCXLSH-DTWKUNHWSA-N -1 0 313.397 -0.264 20 0 DBADRM C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001594389654 1017002758 /nfs/dbraw/zinc/00/27/58/1017002758.db2.gz STNXZNJUUHDESL-OTYXRUKQSA-N -1 0 309.322 -0.171 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H]1CO ZINC001594387222 1017002972 /nfs/dbraw/zinc/00/29/72/1017002972.db2.gz BDROJFIBBIGWQA-WYUUTHIRSA-N -1 0 312.366 -0.215 20 0 DBADRM Cc1cccc([C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(=O)[O-])c1 ZINC001594391559 1017003209 /nfs/dbraw/zinc/00/32/09/1017003209.db2.gz GXTIKVXCBGJINP-WDEREUQCSA-N -1 0 312.347 -0.071 20 0 DBADRM Cc1ccc2c(c1)nnn(CN1CCO[C@@H](C(=O)[O-])C1)c2=O ZINC001594381534 1017003333 /nfs/dbraw/zinc/00/33/33/1017003333.db2.gz LVGDPDGZVIASBC-GFCCVEGCSA-N -1 0 304.306 -0.157 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCO1 ZINC001594393248 1017003636 /nfs/dbraw/zinc/00/36/36/1017003636.db2.gz MWYWVXSCUXFYMQ-HBNTYKKESA-N -1 0 314.338 -0.770 20 0 DBADRM Cc1ccccc1-n1cc(C(=O)OCC(=O)NCC(=O)[O-])nn1 ZINC001594413870 1017005148 /nfs/dbraw/zinc/00/51/48/1017005148.db2.gz LQSCKGMWNRPXDU-UHFFFAOYSA-N -1 0 318.289 -0.067 20 0 DBADRM C[C@@H]1CCN(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)C1 ZINC001594403031 1017006198 /nfs/dbraw/zinc/00/61/98/1017006198.db2.gz ORTNRBJIXLEHKC-VDDIYKPWSA-N -1 0 304.368 -0.074 20 0 DBADRM Cc1ccccc1[C@H]1C(=O)NCCN1CC(=O)NCC(=O)[O-] ZINC001594417305 1017006623 /nfs/dbraw/zinc/00/66/23/1017006623.db2.gz YMQQXZYAXBOTQK-AWEZNQCLSA-N -1 0 305.334 -0.331 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)[C@H]1CO ZINC001594395184 1017006674 /nfs/dbraw/zinc/00/66/74/1017006674.db2.gz ZNEBUQFLACQMRN-CBAPKCEASA-N -1 0 310.310 -0.714 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)[C@@H]1CO ZINC001594395142 1017006857 /nfs/dbraw/zinc/00/68/57/1017006857.db2.gz ZBRPERBMGDRTCM-WXCVZDNMSA-N -1 0 324.377 -0.169 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)[C@@H](C(N)=O)C1 ZINC001594402153 1017006911 /nfs/dbraw/zinc/00/69/11/1017006911.db2.gz QKQDYMZUMPHINO-MWLCHTKSSA-N -1 0 321.333 -0.341 20 0 DBADRM Cc1csc(N[C@@H](C)C(=O)OCC(=O)NCC(=O)[O-])n1 ZINC001594440921 1017012437 /nfs/dbraw/zinc/01/24/37/1017012437.db2.gz YIIHUASFEQGOCZ-ZETCQYMHSA-N -1 0 301.324 -0.004 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1scnc1C(=O)[O-] ZINC001594439579 1017012456 /nfs/dbraw/zinc/01/24/56/1017012456.db2.gz UGMJXAAWLCGQGV-NTSWFWBYSA-N -1 0 319.364 -0.356 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)CCCC(=O)[O-])CCS1(=O)=O ZINC001594428061 1017008384 /nfs/dbraw/zinc/00/83/84/1017008384.db2.gz WYVWAJRIAXEAMR-SECBINFHSA-N -1 0 313.397 -0.310 20 0 DBADRM Cc1cn2nnc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c2c(=O)[nH]1 ZINC001594426767 1017009557 /nfs/dbraw/zinc/00/95/57/1017009557.db2.gz MPNHMMVWZHTMLK-SSDOTTSWSA-N -1 0 307.266 -0.936 20 0 DBADRM Cc1cncc(S(=O)(=O)NCCOCCOCC(=O)[O-])c1 ZINC001594433250 1017010135 /nfs/dbraw/zinc/01/01/35/1017010135.db2.gz FDFHNMGKJCGOHT-UHFFFAOYSA-N -1 0 318.351 -0.214 20 0 DBADRM C[C@H]1CCN(CC(=O)N2CCC(C(N)=O)CC2)[C@@H](C(=O)[O-])C1 ZINC001594422839 1017010309 /nfs/dbraw/zinc/01/03/09/1017010309.db2.gz PBTPNUVMFOJSTI-CMPLNLGQSA-N -1 0 311.382 -0.105 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)[C@H](C(N)=O)C1 ZINC001594428107 1017010370 /nfs/dbraw/zinc/01/03/70/1017010370.db2.gz YRZUJAYLLNCJOY-IUCAKERBSA-N -1 0 304.368 -0.233 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2cnc(N)nc2)[C@@H](C(=O)[O-])C1 ZINC001594432068 1017010385 /nfs/dbraw/zinc/01/03/85/1017010385.db2.gz QIBBGWTUGVBSDU-VXNVDRBHSA-N -1 0 300.340 -0.067 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)NC(C)(C)C(=O)[O-] ZINC001594430254 1017010613 /nfs/dbraw/zinc/01/06/13/1017010613.db2.gz NUKXSZXVNSUJOU-UHFFFAOYSA-N -1 0 301.324 -0.218 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001594438917 1017011392 /nfs/dbraw/zinc/01/13/92/1017011392.db2.gz JDIQPXSGOAWGOA-GMSGAONNSA-N -1 0 313.335 -0.417 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)[C@@H]1CCNC1=O ZINC001496711873 1017012223 /nfs/dbraw/zinc/01/22/23/1017012223.db2.gz SIFXYKIIYJHCKW-SECBINFHSA-N -1 0 323.353 -0.862 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)OC[C@@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001594452855 1017016406 /nfs/dbraw/zinc/01/64/06/1017016406.db2.gz BAKNDPFODVBXCU-MMWGEVLESA-N -1 0 314.338 -0.677 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)C[C@@]1(C)CO ZINC001594458314 1017017707 /nfs/dbraw/zinc/01/77/07/1017017707.db2.gz NGFJTKHQUIWICF-VPJDZLOFSA-N -1 0 310.350 -0.247 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1(C)CCC1 ZINC001428740279 1006014253 /nfs/dbraw/zinc/01/42/53/1006014253.db2.gz KVJKKIRTRMWQRQ-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C2 ZINC001594465389 1017017813 /nfs/dbraw/zinc/01/78/13/1017017813.db2.gz CTHPJZANZCEMEP-MRVPVSSYSA-N -1 0 309.326 -0.892 20 0 DBADRM Cc1nc(N(C)C)sc1C(=O)OCC(=O)NCC(=O)[O-] ZINC001594456995 1017017948 /nfs/dbraw/zinc/01/79/48/1017017948.db2.gz CPVOPFCHFWQSSE-UHFFFAOYSA-N -1 0 301.324 -0.125 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594439868 1017013146 /nfs/dbraw/zinc/01/31/46/1017013146.db2.gz XOJVRPNRRPVRDH-PELKAZGASA-N -1 0 306.322 -0.168 20 0 DBADRM Cc1conc1NC(=O)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001594435293 1017013266 /nfs/dbraw/zinc/01/32/66/1017013266.db2.gz BPUSYBNOALCIDW-QMMMGPOBSA-N -1 0 307.266 -0.403 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001594439315 1017013360 /nfs/dbraw/zinc/01/33/60/1017013360.db2.gz PIIBBMJOYHURLW-WCBMZHEXSA-N -1 0 304.368 -0.315 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2)[nH]1 ZINC001594454278 1017014274 /nfs/dbraw/zinc/01/42/74/1017014274.db2.gz VYZPABVUIDZQMI-GHMZBOCLSA-N -1 0 307.354 -0.132 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NCc3nnnn3C)CCC2)c1[O-] ZINC001440297470 1006049962 /nfs/dbraw/zinc/04/99/62/1006049962.db2.gz GSYLJVOWNRNCDS-UHFFFAOYSA-N -1 0 320.357 -0.610 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C[C@H](C)[C@H]1O ZINC001594455927 1017014849 /nfs/dbraw/zinc/01/48/49/1017014849.db2.gz WINJSEWIVQGLEQ-SQYUCLKFSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCSC[C@H](C(=O)[O-])C2)CCO1 ZINC001594455469 1017015112 /nfs/dbraw/zinc/01/51/12/1017015112.db2.gz UHFCRPIFTMYCAZ-NXEZZACHSA-N -1 0 316.379 -0.490 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@@H](C(=O)[O-])C3CC3)CC2)[nH]1 ZINC001594452443 1017015611 /nfs/dbraw/zinc/01/56/11/1017015611.db2.gz LLMMIAVVIJEPMO-LBPRGKRZSA-N -1 0 307.354 -0.132 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC[C@H]1O ZINC001594455508 1017015942 /nfs/dbraw/zinc/01/59/42/1017015942.db2.gz UQFBWHAAZGZMQP-JBBSTSQOSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)CCS(=O)(=O)C1 ZINC001594470159 1017020820 /nfs/dbraw/zinc/02/08/20/1017020820.db2.gz CZRKHGJXTKQXNY-VIFPVBQESA-N -1 0 315.351 -0.526 20 0 DBADRM Cc1nc2n(n1)CCN(S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C2 ZINC001594465872 1017021709 /nfs/dbraw/zinc/02/17/09/1017021709.db2.gz PRBHVGJKTQXBAU-VIFPVBQESA-N -1 0 315.355 -0.804 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@]2(CCOC2)O1 ZINC001594470302 1017022198 /nfs/dbraw/zinc/02/21/98/1017022198.db2.gz IJYPASYPCBRMQX-RNCFNFMXSA-N -1 0 310.310 -0.617 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cccc(C(=O)[O-])c2=O)CC(=O)N1C ZINC001594470287 1017022667 /nfs/dbraw/zinc/02/26/67/1017022667.db2.gz ICLHCEDAIPXSRF-SECBINFHSA-N -1 0 307.306 -0.764 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CCO1 ZINC001594465605 1017022984 /nfs/dbraw/zinc/02/29/84/1017022984.db2.gz SAFAPJWISXQNME-YGRLFVJLSA-N -1 0 311.338 -0.461 20 0 DBADRM Cc1ncc(NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)cn1 ZINC001594468972 1017023576 /nfs/dbraw/zinc/02/35/76/1017023576.db2.gz SYZQSCPKDUKPQN-UHFFFAOYSA-N -1 0 322.321 -0.279 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001594477313 1017024503 /nfs/dbraw/zinc/02/45/03/1017024503.db2.gz HVNWSCKOBMONLP-LLVKDONJSA-N -1 0 317.305 -0.104 20 0 DBADRM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001594471202 1017025837 /nfs/dbraw/zinc/02/58/37/1017025837.db2.gz UJLVCIZMRUEBRJ-WDEREUQCSA-N -1 0 310.354 -0.505 20 0 DBADRM Cc1nn(C)c(C)c1CCCNC(=O)C(=O)NCCC(=O)[O-] ZINC001594482082 1017025994 /nfs/dbraw/zinc/02/59/94/1017025994.db2.gz BSPCHNZFRASHCI-UHFFFAOYSA-N -1 0 310.354 -0.323 20 0 DBADRM CCc1n[nH]cc1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001496734536 1017026024 /nfs/dbraw/zinc/02/60/24/1017026024.db2.gz GQHUPKSFABOMIQ-UHFFFAOYSA-N -1 0 307.358 0.000 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C[C@@H](CO)O1 ZINC001594476375 1017026880 /nfs/dbraw/zinc/02/68/80/1017026880.db2.gz YEKNAJGGCFPFBG-CHWFTXMASA-N -1 0 302.327 -0.733 20 0 DBADRM CC[C@H](C)C(=O)NCC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001428974394 1006156226 /nfs/dbraw/zinc/15/62/26/1006156226.db2.gz NMHCYECWHMAHCN-JGVFFNPUSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])C[C@@H](C)C1O ZINC001594472513 1017026962 /nfs/dbraw/zinc/02/69/62/1017026962.db2.gz AIUNXDLIRSGFSQ-NXEZZACHSA-N -1 0 315.370 -0.374 20 0 DBADRM C[C@@H]1CN(C(=O)NCCn2cc(C(=O)[O-])nn2)C[C@H](C)[C@H]1O ZINC001594473857 1017027006 /nfs/dbraw/zinc/02/70/06/1017027006.db2.gz RDXRLTGRQUZTBW-JZYVYDRUSA-N -1 0 311.342 -0.365 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)n1C ZINC001594491298 1017029132 /nfs/dbraw/zinc/02/91/32/1017029132.db2.gz QSXYFDBTAUVVJB-UHFFFAOYSA-N -1 0 323.353 -0.547 20 0 DBADRM CC1N=NC(=S)N1CCNC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001594494354 1017029298 /nfs/dbraw/zinc/02/92/98/1017029298.db2.gz BRQVNAWYPYEXKC-LLVKDONJSA-N -1 0 300.340 -0.375 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(C=O)n(C)n2)CCN1CCC(=O)[O-] ZINC001594488963 1017029749 /nfs/dbraw/zinc/02/97/49/1017029749.db2.gz MXAOCACFGRHZTA-JTQLQIEISA-N -1 0 308.338 -0.146 20 0 DBADRM COCC(=O)N[C@H](C)CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001429034045 1006192306 /nfs/dbraw/zinc/19/23/06/1006192306.db2.gz UOZUALXBWMCUMR-SECBINFHSA-N -1 0 321.337 -0.706 20 0 DBADRM C[C@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1CC12CC2 ZINC001429086641 1006223909 /nfs/dbraw/zinc/22/39/09/1006223909.db2.gz PBDSERUVQNLBPK-RKDXNWHRSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnc(C(=O)[O-])cn2)C[C@@H](C)S1(=O)=O ZINC001594496393 1017034050 /nfs/dbraw/zinc/03/40/50/1017034050.db2.gz MSJYQXJRZMYPQK-HTQZYQBOSA-N -1 0 313.335 -0.178 20 0 DBADRM CC(C)CCC(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429161297 1006255236 /nfs/dbraw/zinc/25/52/36/1006255236.db2.gz WNPJPQAKNUGLPL-UHFFFAOYSA-N -1 0 311.342 -0.093 20 0 DBADRM O=C(CCCc1nnn[n-]1)NN1C(=O)NC2(CCCCC2)C1=O ZINC001440747085 1006291308 /nfs/dbraw/zinc/29/13/08/1006291308.db2.gz JIDPXOLNIPNESN-UHFFFAOYSA-N -1 0 321.341 -0.192 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(CC(F)(F)F)CC1 ZINC001440789960 1006309100 /nfs/dbraw/zinc/30/91/00/1006309100.db2.gz PLNIMAUXPKMVBI-UHFFFAOYSA-N -1 0 307.232 -0.397 20 0 DBADRM COCCNC(=O)C1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001440850762 1006330810 /nfs/dbraw/zinc/33/08/10/1006330810.db2.gz HSPREOVPFAEEFI-UHFFFAOYSA-N -1 0 310.358 -0.867 20 0 DBADRM C[C@H]1CN(CCc2cn(CC(=O)[O-])nn2)CC[S@](=O)C1 ZINC001594531953 1017042662 /nfs/dbraw/zinc/04/26/62/1017042662.db2.gz QWYNISVVRZRZHT-FVINQWEUSA-N -1 0 300.384 -0.394 20 0 DBADRM C[C@@H](CNC(=O)[C@H](C)n1cccn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440897694 1006343704 /nfs/dbraw/zinc/34/37/04/1006343704.db2.gz CUENUSBTIOASCL-UWVGGRQHSA-N -1 0 307.358 -0.096 20 0 DBADRM C[C@H](NC(=O)Cn1cnnn1)C(=O)[N-]OCc1ccccc1 ZINC001440897293 1006344799 /nfs/dbraw/zinc/34/47/99/1006344799.db2.gz BXMDYGWZJBPHCX-JTQLQIEISA-N -1 0 304.310 -0.574 20 0 DBADRM C[C@@H]1CN(CCc2cn(CC(=O)[O-])nn2)C[C@@H](C)S1=O ZINC001594530831 1017044007 /nfs/dbraw/zinc/04/40/07/1017044007.db2.gz DNAROFZRXXCHCD-NXEZZACHSA-N -1 0 300.384 -0.254 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)Cc2cnn(C)n2)c1[O-] ZINC001440909348 1006352947 /nfs/dbraw/zinc/35/29/47/1006352947.db2.gz CQRIHVHUVFQRQT-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@@H]1CN(CCNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCO1 ZINC001594528202 1017044131 /nfs/dbraw/zinc/04/41/31/1017044131.db2.gz SPLIMKOTJZRUAS-IJLUTSLNSA-N -1 0 315.370 -0.504 20 0 DBADRM C[C@H]1CN(CCO)CCN1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001594531990 1017044419 /nfs/dbraw/zinc/04/44/19/1017044419.db2.gz ROMWKIATFUKHQB-OXIQGZBJSA-N -1 0 311.382 -0.052 20 0 DBADRM C[C@@H]1CN(CCO)CCN1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001594531989 1017044581 /nfs/dbraw/zinc/04/45/81/1017044581.db2.gz ROMWKIATFUKHQB-FJJYHAOUSA-N -1 0 311.382 -0.052 20 0 DBADRM C[C@H]1CN(CCO)CCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001594532620 1017044754 /nfs/dbraw/zinc/04/47/54/1017044754.db2.gz ZHUCCBJQKJZEFH-NSHDSACASA-N -1 0 323.349 -0.929 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)Cc2ncnn2C)c1[O-] ZINC001440918407 1006363584 /nfs/dbraw/zinc/36/35/84/1006363584.db2.gz RCCQAVSZYVCRCV-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC001594555114 1017046084 /nfs/dbraw/zinc/04/60/84/1017046084.db2.gz JSHGSMSHMZTWGQ-QCLAVDOMSA-N -1 0 308.356 -0.828 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCCOC[C@@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001594603248 1017050137 /nfs/dbraw/zinc/05/01/37/1017050137.db2.gz IIKQZMCNRVRPHK-AXFHLTTASA-N -1 0 314.338 -0.676 20 0 DBADRM Cc1conc1CN(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001440952118 1006385698 /nfs/dbraw/zinc/38/56/98/1006385698.db2.gz DSJGFCLHTHVMNV-QMMMGPOBSA-N -1 0 322.325 -0.170 20 0 DBADRM COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(C)c1[O-] ZINC001429406870 1006389090 /nfs/dbraw/zinc/38/90/90/1006389090.db2.gz AMPAZVZWPIJNEC-BBBLOLIVSA-N -1 0 308.338 -0.068 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])cn2C)CC(=O)N1 ZINC001594555302 1017047011 /nfs/dbraw/zinc/04/70/11/1017047011.db2.gz LRKIXXAMMWAUPH-ZETCQYMHSA-N -1 0 301.324 -0.768 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2csnc2C(=O)[O-])CC(=O)N1C ZINC001594562733 1017047018 /nfs/dbraw/zinc/04/70/18/1017047018.db2.gz VRXNEVYCPVXDAH-LURJTMIESA-N -1 0 319.364 -0.308 20 0 DBADRM C[C@H]1CN(Cc2nc[nH]n2)[C@H](C(=O)[O-])CN1Cc1nc[nH]n1 ZINC001594548401 1017047233 /nfs/dbraw/zinc/04/72/33/1017047233.db2.gz UIJCUZXCEVGNTM-IUCAKERBSA-N -1 0 306.330 -0.918 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001594597116 1017048780 /nfs/dbraw/zinc/04/87/80/1017048780.db2.gz CFLDBWMCJVEREI-WRWGMCAJSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001594597920 1017048925 /nfs/dbraw/zinc/04/89/25/1017048925.db2.gz GXUKYBQFNQKCPH-BQBZGAKWSA-N -1 0 322.364 -0.388 20 0 DBADRM C[C@H]1COCC[C@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001594595830 1017049375 /nfs/dbraw/zinc/04/93/75/1017049375.db2.gz LOVIIVFBTMFGQC-MPXOCVNLSA-N -1 0 319.379 -0.337 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001594632921 1017054179 /nfs/dbraw/zinc/05/41/79/1017054179.db2.gz RIUNVSJLEXJEJL-XKSSXDPKSA-N -1 0 323.309 -0.363 20 0 DBADRM C[C@@H]1CSCCN1C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001594613625 1017054208 /nfs/dbraw/zinc/05/42/08/1017054208.db2.gz PKDJWXSOIXAMMA-UTLUCORTSA-N -1 0 316.379 -0.756 20 0 DBADRM COC[C@@H](O)CN1CC(CCO)(NC(=O)c2ccccc2O)C1 ZINC001441024846 1006428418 /nfs/dbraw/zinc/42/84/18/1006428418.db2.gz NSSCYMPZSNDAKB-LBPRGKRZSA-N -1 0 324.377 -0.434 20 0 DBADRM C[C@H]1OCC[C@@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001594641735 1017054729 /nfs/dbraw/zinc/05/47/29/1017054729.db2.gz AQQZWWGKNNENDR-JDVQERKKSA-N -1 0 305.352 -0.585 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC001594649427 1017054979 /nfs/dbraw/zinc/05/49/79/1017054979.db2.gz WGJGRBDDIBXQHN-GRYCIOLGSA-N -1 0 320.411 -0.026 20 0 DBADRM C[C@H]1OCC[C@@H]1N(CCO)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594643441 1017055409 /nfs/dbraw/zinc/05/54/09/1017055409.db2.gz GCBHRYGFIKGJRT-APPZFPTMSA-N -1 0 320.323 -0.467 20 0 DBADRM C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001594641736 1017055463 /nfs/dbraw/zinc/05/54/63/1017055463.db2.gz AQQZWWGKNNENDR-KIKITERTSA-N -1 0 305.352 -0.585 20 0 DBADRM C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001594648828 1017055520 /nfs/dbraw/zinc/05/55/20/1017055520.db2.gz NHLMPTIBCPBIAT-MNOVXSKESA-N -1 0 306.384 -0.414 20 0 DBADRM C[C@@H]1OCC[C@@]12CN(Cn1nc(C(=O)[O-])ccc1=O)CCO2 ZINC001594641784 1017055682 /nfs/dbraw/zinc/05/56/82/1017055682.db2.gz BHOGVXUPVQQXJG-IINYFYTJSA-N -1 0 309.322 -0.221 20 0 DBADRM C[C@@H]1OCC[C@@H]1N(CCO)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594643442 1017055818 /nfs/dbraw/zinc/05/58/18/1017055818.db2.gz GCBHRYGFIKGJRT-CBAPKCEASA-N -1 0 320.323 -0.467 20 0 DBADRM CC(C)[C@@H](C)C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001429512638 1006452604 /nfs/dbraw/zinc/45/26/04/1006452604.db2.gz RQHGXFLOAFOVFS-SECBINFHSA-N -1 0 313.358 -0.444 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cccc2c1O[C@@H](C)C(=O)N2)C(=O)[O-] ZINC001594651533 1017056157 /nfs/dbraw/zinc/05/61/57/1017056157.db2.gz SLXZUHNOIPJLQT-FWWHASMVSA-N -1 0 308.290 -0.030 20 0 DBADRM C[C@H]1CO[C@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)C1 ZINC001594587826 1017051279 /nfs/dbraw/zinc/05/12/79/1017051279.db2.gz SINZFRJYHHTEIG-JDVQERKKSA-N -1 0 305.352 -0.585 20 0 DBADRM C[C@H]1Cn2nc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)cc2CN1 ZINC001594625375 1017051766 /nfs/dbraw/zinc/05/17/66/1017051766.db2.gz IUXZZERVNXTXMX-GXSJLCMTSA-N -1 0 308.338 -0.310 20 0 DBADRM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001594626171 1017052151 /nfs/dbraw/zinc/05/21/51/1017052151.db2.gz MCRISZBWRPPUQV-OGBGREFGSA-N -1 0 313.354 -0.217 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001441118074 1006477960 /nfs/dbraw/zinc/47/79/60/1006477960.db2.gz XTPGZKLCVRCUSB-ZJUUUORDSA-N -1 0 310.358 -0.885 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001594636192 1017052549 /nfs/dbraw/zinc/05/25/49/1017052549.db2.gz PWCNXDNRKFEFGS-OORONAJNSA-N -1 0 324.337 -0.015 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)N(C)[C@H](COC1CCC1)C(=O)[O-] ZINC001594632402 1017053467 /nfs/dbraw/zinc/05/34/67/1017053467.db2.gz LINHRNOQGOVGJV-FXBDTBDDSA-N -1 0 300.311 -0.036 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])C1 ZINC001594695734 1017057256 /nfs/dbraw/zinc/05/72/56/1017057256.db2.gz NYAAAZNVTYZHRP-UWVGGRQHSA-N -1 0 314.338 -0.423 20 0 DBADRM CCC(=O)N1CC[C@H](N2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)C1 ZINC001594700518 1017057808 /nfs/dbraw/zinc/05/78/08/1017057808.db2.gz WRUNAXPKYCGYLU-SJQPAMGKSA-N -1 0 309.322 -0.362 20 0 DBADRM CCC(=O)N(C)CCN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001594696638 1017058326 /nfs/dbraw/zinc/05/83/26/1017058326.db2.gz UJVOFSGNNHRIRL-NEPJUHHUSA-N -1 0 311.382 -0.280 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1(C)CC1 ZINC001429655551 1006513963 /nfs/dbraw/zinc/51/39/63/1006513963.db2.gz UWSLVVZKSLIEGO-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC001594696777 1017058841 /nfs/dbraw/zinc/05/88/41/1017058841.db2.gz ZVFJCDHCNZWKSX-AAEUAGOBSA-N -1 0 312.366 -0.071 20 0 DBADRM C/C=C\C[C@H](CO)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001594683699 1017058858 /nfs/dbraw/zinc/05/88/58/1017058858.db2.gz HDWUWNHTXGTCLV-OTDNITJGSA-N -1 0 306.384 -0.056 20 0 DBADRM CCC(=O)N1CC[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001594699723 1017059074 /nfs/dbraw/zinc/05/90/74/1017059074.db2.gz FRBDZQQOONGLOZ-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CCN(CCNC(=O)C(C)(C)C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001429694894 1006527052 /nfs/dbraw/zinc/52/70/52/1006527052.db2.gz IBRHVBWXEWSILV-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N(CCC(=O)[O-])CC(OC)OC ZINC001594706380 1017060197 /nfs/dbraw/zinc/06/01/97/1017060197.db2.gz OXAYTZFYTFAGRI-SECBINFHSA-N -1 0 304.343 -0.177 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594706936 1017060501 /nfs/dbraw/zinc/06/05/01/1017060501.db2.gz XWLXHKYPAVBHJU-MRVPVSSYSA-N -1 0 320.367 -0.951 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001594705952 1017060689 /nfs/dbraw/zinc/06/06/89/1017060689.db2.gz IQENCJIDFPGJBZ-BBBLOLIVSA-N -1 0 314.338 -0.234 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001594706548 1017061019 /nfs/dbraw/zinc/06/10/19/1017061019.db2.gz RFKRIGVFSLSERU-UTLUCORTSA-N -1 0 314.338 -0.234 20 0 DBADRM CCC(=O)NCC(=O)N(C)C[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001594707166 1017061178 /nfs/dbraw/zinc/06/11/78/1017061178.db2.gz DTUMIZIATISFCC-SECBINFHSA-N -1 0 323.353 -0.040 20 0 DBADRM CCC(=O)NCC(=O)NCC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001594712600 1017061385 /nfs/dbraw/zinc/06/13/85/1017061385.db2.gz UGNCTWCKRGIPEI-VIFPVBQESA-N -1 0 323.353 -0.570 20 0 DBADRM CCC(=O)NCC(=O)N(C)C[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001594708466 1017061531 /nfs/dbraw/zinc/06/15/31/1017061531.db2.gz XQWGZLFQADJNSK-SECBINFHSA-N -1 0 323.353 -0.618 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001594756647 1017062831 /nfs/dbraw/zinc/06/28/31/1017062831.db2.gz VDNYEVDLWKRMES-SNVBAGLBSA-N -1 0 307.368 -0.193 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC001594756026 1017063035 /nfs/dbraw/zinc/06/30/35/1017063035.db2.gz CVLRUEAYQNGLBS-SECBINFHSA-N -1 0 319.339 -0.679 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001594742411 1017063116 /nfs/dbraw/zinc/06/31/16/1017063116.db2.gz BOPYPPLVZSZBMJ-UWVGGRQHSA-N -1 0 306.384 -0.115 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001594865445 1017067583 /nfs/dbraw/zinc/06/75/83/1017067583.db2.gz HCCWKLWYLKOIKV-OPRDCNLKSA-N -1 0 308.338 -0.113 20 0 DBADRM CC[C@](C)(O)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001594853910 1017067819 /nfs/dbraw/zinc/06/78/19/1017067819.db2.gz PHUJZPWGVGHGBS-UONOGXRCSA-N -1 0 300.355 -0.465 20 0 DBADRM CC[C@](C)(O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001594853908 1017068212 /nfs/dbraw/zinc/06/82/12/1017068212.db2.gz PHUJZPWGVGHGBS-KBPBESRZSA-N -1 0 300.355 -0.465 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@H]1CCN(C)C1=O)C(=O)[O-] ZINC001594895233 1017068792 /nfs/dbraw/zinc/06/87/92/1017068792.db2.gz BNQQGEDNAANNHR-QXEWZRGKSA-N -1 0 314.338 -0.377 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)Cn1cnc2c(c1=O)COCC2)C(=O)[O-] ZINC001594909676 1017068844 /nfs/dbraw/zinc/06/88/44/1017068844.db2.gz VZBSXBAYPYQZJK-RNCFNFMXSA-N -1 0 323.349 -0.069 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@@H]1COC(=O)N1)C(=O)[O-] ZINC001594904710 1017069584 /nfs/dbraw/zinc/06/95/84/1017069584.db2.gz NCTYPZPPLXOVKC-ACLDMZEESA-N -1 0 302.283 -0.747 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001594742409 1017064017 /nfs/dbraw/zinc/06/40/17/1017064017.db2.gz BOPYPPLVZSZBMJ-NXEZZACHSA-N -1 0 306.384 -0.115 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@H](CNS(=O)(=O)NC1CC1)O2 ZINC001594908036 1017069610 /nfs/dbraw/zinc/06/96/10/1017069610.db2.gz XTLXVDFZENGYNI-KRBLXSNTSA-N -1 0 304.368 -0.015 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)O[C@H]1CCN(CCC(=O)OC)C1=O ZINC001594765018 1017065638 /nfs/dbraw/zinc/06/56/38/1017065638.db2.gz LOGKVENEBIQWRY-IUCAKERBSA-N -1 0 301.295 -0.196 20 0 DBADRM CCC(C)(C)NC(=O)CN1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001594806058 1017065782 /nfs/dbraw/zinc/06/57/82/1017065782.db2.gz PDEDDVIUDYNCTC-WDEREUQCSA-N -1 0 311.382 -0.188 20 0 DBADRM CC[C@](C)(NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001594840244 1017065907 /nfs/dbraw/zinc/06/59/07/1017065907.db2.gz GQKGZDYXSOBPAI-SKDRFNHKSA-N -1 0 306.384 -0.525 20 0 DBADRM CC1(C(=O)N(CCNC(=O)Cn2c(=O)[n-][nH]c2=O)C2CC2)CC1 ZINC001429916337 1006616811 /nfs/dbraw/zinc/61/68/11/1006616811.db2.gz HYELQAAISKCEEO-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)Cn1c(=O)ccn(CC)c1=O)C(=O)[O-] ZINC001594908711 1017069957 /nfs/dbraw/zinc/06/99/57/1017069957.db2.gz JIQUNBKBABQXLP-SKDRFNHKSA-N -1 0 311.338 -0.355 20 0 DBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC001594821221 1017066230 /nfs/dbraw/zinc/06/62/30/1017066230.db2.gz RGQAOEQFDFNIOM-NSHDSACASA-N -1 0 318.355 -0.710 20 0 DBADRM COc1nc(C(=O)NC[C@H](NC(=O)c2cn[nH]n2)C2CC2)co1 ZINC001430007307 1006652456 /nfs/dbraw/zinc/65/24/56/1006652456.db2.gz SKYZARLNQMZKJM-QMMMGPOBSA-N -1 0 320.309 -0.260 20 0 DBADRM CCCC(=O)NCC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001430315143 1006814258 /nfs/dbraw/zinc/81/42/58/1006814258.db2.gz JVHHXVIHLZYFNG-UHFFFAOYSA-N -1 0 308.338 -0.526 20 0 DBADRM C[C@@H](CNC(=O)CC1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001430409263 1006844675 /nfs/dbraw/zinc/84/46/75/1006844675.db2.gz RZAYBTRQLOIGCL-QMMMGPOBSA-N -1 0 308.338 -0.480 20 0 DBADRM CCCC(=O)NC[C@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001430415666 1006848422 /nfs/dbraw/zinc/84/84/22/1006848422.db2.gz HTBWAJXOSZZLLD-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1occc1Cl ZINC001441774615 1006867835 /nfs/dbraw/zinc/86/78/35/1006867835.db2.gz ZPRVYBPCHNOTMN-ZCFIWIBFSA-N -1 0 315.717 -0.363 20 0 DBADRM C[C@H](CNC(=O)C1CC(C)(C)C1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001430520143 1006881007 /nfs/dbraw/zinc/88/10/07/1006881007.db2.gz RISDPKMVOCEAAZ-SSDOTTSWSA-N -1 0 323.353 -0.047 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NCCOCC(=O)[O-])O1 ZINC001598120256 1017234074 /nfs/dbraw/zinc/23/40/74/1017234074.db2.gz XFNHXEAPOHQHEA-NXEZZACHSA-N -1 0 317.342 -0.977 20 0 DBADRM CN(C(=O)c1cnsn1)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598097275 1017234750 /nfs/dbraw/zinc/23/47/50/1017234750.db2.gz BMYKPZBKHJOABQ-JGVFFNPUSA-N -1 0 310.335 -0.458 20 0 DBADRM CN(C(=O)c1ccnc(S(C)(=O)=O)n1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598093850 1017234801 /nfs/dbraw/zinc/23/48/01/1017234801.db2.gz NDJGQPBVPUDBQT-OCAPTIKFSA-N -1 0 313.335 -0.185 20 0 DBADRM CN(C(=O)c1cnn(C)c1)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001598098070 1017234841 /nfs/dbraw/zinc/23/48/41/1017234841.db2.gz LTBMHVCFWKKCMK-GHMZBOCLSA-N -1 0 306.322 -0.576 20 0 DBADRM CN(C)C(=O)COc1ccccc1CNCC(=O)NCC(=O)[O-] ZINC001598132784 1017235755 /nfs/dbraw/zinc/23/57/55/1017235755.db2.gz MZVBMAVRRYNVDD-UHFFFAOYSA-N -1 0 323.349 -0.556 20 0 DBADRM CN(C)C(=O)CN(C)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598127752 1017235847 /nfs/dbraw/zinc/23/58/47/1017235847.db2.gz QWCXYAXTIUVFAY-UHFFFAOYSA-N -1 0 301.324 -0.512 20 0 DBADRM CN(C)C(=O)CN1CCN(C[C@H]2[C@H](C(=O)[O-])C2(F)F)CC1 ZINC001598129931 1017235971 /nfs/dbraw/zinc/23/59/71/1017235971.db2.gz HWZARHYSQMILCT-GXSJLCMTSA-N -1 0 305.325 -0.342 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)c2ccc(C(=O)[O-])n2C)CC1 ZINC001598129990 1017236018 /nfs/dbraw/zinc/23/60/18/1017236018.db2.gz MHWKRRFXWHQODO-UHFFFAOYSA-N -1 0 322.365 -0.431 20 0 DBADRM CN(C)C(=O)CCCC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001598124756 1017236369 /nfs/dbraw/zinc/23/63/69/1017236369.db2.gz OODZANFEAADDDP-JTQLQIEISA-N -1 0 316.354 -0.033 20 0 DBADRM CN(C)C(=O)CN1CCN(C[C@@H]2[C@H](C(=O)[O-])C2(F)F)CC1 ZINC001598129933 1017236975 /nfs/dbraw/zinc/23/69/75/1017236975.db2.gz HWZARHYSQMILCT-MWLCHTKSSA-N -1 0 305.325 -0.342 20 0 DBADRM CN(C)C(=O)CCn1nnnc1N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001598126765 1017237483 /nfs/dbraw/zinc/23/74/83/1017237483.db2.gz WMPPRENZNFPVGK-SNVBAGLBSA-N -1 0 322.369 -0.158 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(Cn2nc(C(=O)[O-])ccc2=O)C1 ZINC001598138675 1017238490 /nfs/dbraw/zinc/23/84/90/1017238490.db2.gz DPMRATNPSYEABI-JTQLQIEISA-N -1 0 323.353 -0.413 20 0 DBADRM CN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC001598162998 1017242420 /nfs/dbraw/zinc/24/24/20/1017242420.db2.gz OAMXXFFPOSPQAH-JTQLQIEISA-N -1 0 316.335 -0.888 20 0 DBADRM CN(C)C(=O)c1ccc(CNC(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001598152036 1017239576 /nfs/dbraw/zinc/23/95/76/1017239576.db2.gz XPQCOOAPPGYJNS-UHFFFAOYSA-N -1 0 321.333 -0.271 20 0 DBADRM CN(C)C(=O)OCCNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001598145951 1017239606 /nfs/dbraw/zinc/23/96/06/1017239606.db2.gz ULDJYRAELBEJNK-UHFFFAOYSA-N -1 0 317.323 -0.244 20 0 DBADRM CN(C)C(=O)NCCNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001598140550 1017239965 /nfs/dbraw/zinc/23/99/65/1017239965.db2.gz WWZJGXWRAAGKFP-UHFFFAOYSA-N -1 0 316.339 -0.671 20 0 DBADRM CN(C)C1(CS(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)CC1 ZINC001598184562 1017240714 /nfs/dbraw/zinc/24/07/14/1017240714.db2.gz XRSQSOWWSJGERG-WDEREUQCSA-N -1 0 320.411 -0.263 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2n[nH]cc2F)C1 ZINC001597997790 1017226212 /nfs/dbraw/zinc/22/62/12/1017226212.db2.gz BOZOMRVZMVWIGA-HTQZYQBOSA-N -1 0 310.285 -0.448 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)CCn2ccnc2)C1 ZINC001597997752 1017226388 /nfs/dbraw/zinc/22/63/88/1017226388.db2.gz AQJNJGATMNLBLX-NWDGAFQWSA-N -1 0 320.349 -0.337 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(CC(=O)NC2CCCC2)C1 ZINC001597998110 1017226429 /nfs/dbraw/zinc/22/64/29/1017226429.db2.gz GWTBSSAYJBIOIL-STQMWFEESA-N -1 0 323.393 -0.092 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001597998167 1017226434 /nfs/dbraw/zinc/22/64/34/1017226434.db2.gz ICFDBMNJWDLRFR-ZJUUUORDSA-N -1 0 320.305 -0.814 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)Cc2ccn(C)n2)C1 ZINC001597998634 1017226546 /nfs/dbraw/zinc/22/65/46/1017226546.db2.gz RCKQFIONIWTIDF-NWDGAFQWSA-N -1 0 320.349 -0.648 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)Cc2ccn(C)n2)C1 ZINC001597998633 1017226685 /nfs/dbraw/zinc/22/66/85/1017226685.db2.gz RCKQFIONIWTIDF-NEPJUHHUSA-N -1 0 320.349 -0.648 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001597998514 1017227055 /nfs/dbraw/zinc/22/70/55/1017227055.db2.gz OLQAAOSYUOGWRT-NXEZZACHSA-N -1 0 321.337 -0.412 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001597998425 1017227107 /nfs/dbraw/zinc/22/71/07/1017227107.db2.gz MGGYJGUWZOPWNV-QWRGUYRKSA-N -1 0 319.317 -0.209 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)Cc2cnoc2)C1 ZINC001597998195 1017227213 /nfs/dbraw/zinc/22/72/13/1017227213.db2.gz IMRKRGDAUFJJGG-WDEREUQCSA-N -1 0 307.306 -0.393 20 0 DBADRM CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598034349 1017228247 /nfs/dbraw/zinc/22/82/47/1017228247.db2.gz KVGOEQGVXJJKIG-GXSJLCMTSA-N -1 0 305.290 -0.131 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)CCc2cn[nH]c2)C1 ZINC001597998935 1017229649 /nfs/dbraw/zinc/22/96/49/1017229649.db2.gz YAWFNGLJNDIAOE-NEPJUHHUSA-N -1 0 320.349 -0.268 20 0 DBADRM CN(C(=O)c1cccc(C(=O)[O-])n1)N1CCS(=O)(=O)CC1 ZINC001598089673 1017231876 /nfs/dbraw/zinc/23/18/76/1017231876.db2.gz XJQJDSQXXIRQFM-UHFFFAOYSA-N -1 0 313.335 -0.503 20 0 DBADRM CN(C(=O)c1ncccc1O)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598104889 1017233030 /nfs/dbraw/zinc/23/30/30/1017233030.db2.gz WAPWNIHYPGPMLQ-ZJUUUORDSA-N -1 0 319.317 -0.209 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC1(C)C ZINC001430691375 1006993281 /nfs/dbraw/zinc/99/32/81/1006993281.db2.gz YREJPASYOVJHRY-RQJHMYQMSA-N -1 0 309.326 -0.437 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001430696006 1006997694 /nfs/dbraw/zinc/99/76/94/1006997694.db2.gz MKIDDIJVSVROLE-IWSPIJDZSA-N -1 0 308.338 -0.624 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)c2ccn[nH]2)c1[O-] ZINC001430969543 1007094752 /nfs/dbraw/zinc/09/47/52/1007094752.db2.gz UARHSLGDGZUWLA-ZETCQYMHSA-N -1 0 306.326 -0.057 20 0 DBADRM CN(CCNC(=O)C1=COCCC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431172167 1007236802 /nfs/dbraw/zinc/23/68/02/1007236802.db2.gz UOGJLEUUMSRYCR-UHFFFAOYSA-N -1 0 323.309 -0.835 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NCCN(C)C(=O)Cc1cnoc1 ZINC001431441886 1007426191 /nfs/dbraw/zinc/42/61/91/1007426191.db2.gz XAJWKSIJWVVOKT-UHFFFAOYSA-N -1 0 319.321 -0.090 20 0 DBADRM CN(CCNC(=O)c1n[nH]c2c1CCCC2)Cc1n[nH]c(=O)[n-]1 ZINC001442452086 1007454328 /nfs/dbraw/zinc/45/43/28/1007454328.db2.gz DWELNRLXIJNLKU-UHFFFAOYSA-N -1 0 319.369 -0.026 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)c2ncn(C)n2)c1[O-] ZINC001442484641 1007484060 /nfs/dbraw/zinc/48/40/60/1007484060.db2.gz BPVHGRWNRURZPY-NKWVEPMBSA-N -1 0 321.341 -0.511 20 0 DBADRM CN(CC(C)(C)CNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1CC1 ZINC001442557217 1007546648 /nfs/dbraw/zinc/54/66/48/1007546648.db2.gz NFFNNNMBOZEXCP-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM CN(CCNC(=O)c1cnn(C)c1C1CC1)Cc1n[nH]c(=O)[n-]1 ZINC001442622550 1007582306 /nfs/dbraw/zinc/58/23/06/1007582306.db2.gz YBGZYVIUIRHZSQ-UHFFFAOYSA-N -1 0 319.369 -0.017 20 0 DBADRM CC[C@H](C)C(=O)NC[C@H](C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001442674380 1007609085 /nfs/dbraw/zinc/60/90/85/1007609085.db2.gz XNTPDJUNOJOESO-IUCAKERBSA-N -1 0 313.358 -0.302 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)Cn1cccn1 ZINC001431607206 1007633143 /nfs/dbraw/zinc/63/31/43/1007633143.db2.gz SHDBQXUDGWRDGK-UHFFFAOYSA-N -1 0 320.353 -0.101 20 0 DBADRM CN(C)c1cccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)n1 ZINC001598334968 1017255052 /nfs/dbraw/zinc/25/50/52/1017255052.db2.gz RUTYRFZOARYFHL-UHFFFAOYSA-N -1 0 304.310 -0.246 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)CN[C@H](C(=O)[O-])c1ccnn1C ZINC001598283481 1017255197 /nfs/dbraw/zinc/25/51/97/1017255197.db2.gz WNRGALVRWYNORX-CWKPULSASA-N -1 0 317.371 -0.764 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCCN1C(=O)CC1CC1 ZINC001431757769 1007697148 /nfs/dbraw/zinc/69/71/48/1007697148.db2.gz SOZNXSBSROIUIY-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)Nc1cccc(C(=O)[O-])c1N ZINC001598260096 1017249047 /nfs/dbraw/zinc/24/90/47/1017249047.db2.gz XBRPGWJYFXBEHX-UHFFFAOYSA-N -1 0 301.324 -0.203 20 0 DBADRM CN(C)S(=O)(=O)C[C@@H](NC(=O)CC(=O)[O-])C(F)(F)F ZINC001598259998 1017249107 /nfs/dbraw/zinc/24/91/07/1017249107.db2.gz RUOQNUZIWONMTO-RXMQYKEDSA-N -1 0 306.262 -0.600 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001598260196 1017249142 /nfs/dbraw/zinc/24/91/42/1017249142.db2.gz YVBJOLCHGBNSJO-UHFFFAOYSA-N -1 0 321.380 -0.010 20 0 DBADRM CCCN(CCNC(=O)CNC(=O)OC)Cc1n[nH]c(=O)[n-]1 ZINC001442921234 1007719603 /nfs/dbraw/zinc/71/96/03/1007719603.db2.gz KFQQTXCFQULBDS-UHFFFAOYSA-N -1 0 314.346 -0.806 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N[C@H](C(=O)[O-])c1cccnc1 ZINC001598261536 1017249842 /nfs/dbraw/zinc/24/98/42/1017249842.db2.gz BZWRDFNAQADFFZ-NSHDSACASA-N -1 0 315.351 -0.395 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001598259856 1017250363 /nfs/dbraw/zinc/25/03/63/1017250363.db2.gz QMWXNHZJVJQYMO-LLVKDONJSA-N -1 0 316.335 -0.475 20 0 DBADRM CN(C)c1cc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])ccn1 ZINC001598287884 1017255343 /nfs/dbraw/zinc/25/53/43/1017255343.db2.gz KMHIQZLKJFRCIE-JTQLQIEISA-N -1 0 304.310 -0.378 20 0 DBADRM CN(C)S(=O)(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001598265045 1017251417 /nfs/dbraw/zinc/25/14/17/1017251417.db2.gz HIIAVXPIJSIFDF-LBPRGKRZSA-N -1 0 306.384 -0.125 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)N[C@@](C)(CO)C(=O)[O-])co1 ZINC001598269940 1017251439 /nfs/dbraw/zinc/25/14/39/1017251439.db2.gz XXNPDKQRWOPFBK-NSHDSACASA-N -1 0 320.323 -0.905 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001598261557 1017251638 /nfs/dbraw/zinc/25/16/38/1017251638.db2.gz GGIDOFNJMLXNCM-UHFFFAOYSA-N -1 0 316.339 -0.207 20 0 DBADRM CCCN(CCNC(=O)[C@H]1CC[C@H]1C(N)=O)Cc1n[nH]c(=O)[n-]1 ZINC001442958786 1007733098 /nfs/dbraw/zinc/73/30/98/1007733098.db2.gz DREWRHPFSBSLAS-ZJUUUORDSA-N -1 0 324.385 -0.650 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001598262453 1017252282 /nfs/dbraw/zinc/25/22/82/1017252282.db2.gz UNCIBCWWWXGZQO-YTWAJWBKSA-N -1 0 318.395 -0.117 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CC(C(=O)[O-])C2)co1 ZINC001598269781 1017252368 /nfs/dbraw/zinc/25/23/68/1017252368.db2.gz LOJAGZIOWIHJBN-UHFFFAOYSA-N -1 0 302.308 -0.314 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001442961775 1007734080 /nfs/dbraw/zinc/73/40/80/1007734080.db2.gz OUCWYPDTSYPOON-DJLDLDEBSA-N -1 0 323.353 -0.094 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NCc1ccc(C(=O)[O-])o1 ZINC001598261728 1017252537 /nfs/dbraw/zinc/25/25/37/1017252537.db2.gz JCCBCNKMFYFNPI-UHFFFAOYSA-N -1 0 304.324 -0.125 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])o1 ZINC001598270456 1017252952 /nfs/dbraw/zinc/25/29/52/1017252952.db2.gz CZUNMCSJQGYNFS-WCBMZHEXSA-N -1 0 318.351 -0.450 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC001598265188 1017253012 /nfs/dbraw/zinc/25/30/12/1017253012.db2.gz JMWPIGSJNRUFRC-UHFFFAOYSA-N -1 0 315.355 -0.897 20 0 DBADRM CN(C)S(=O)(=O)CCCOC(=O)c1cc(C(=O)[O-])no1 ZINC001598262467 1017253123 /nfs/dbraw/zinc/25/31/23/1017253123.db2.gz VBQFSLRYEXEYQM-UHFFFAOYSA-N -1 0 306.296 -0.189 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])cc1 ZINC001598330119 1017253965 /nfs/dbraw/zinc/25/39/65/1017253965.db2.gz HEDGPDBURGIUHN-GFCCVEGCSA-N -1 0 302.352 -0.134 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001598284072 1017254627 /nfs/dbraw/zinc/25/46/27/1017254627.db2.gz YFNCZIGCMFODDU-JXJLEFFBSA-N -1 0 323.343 -0.496 20 0 DBADRM CN(C)c1ccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cn1 ZINC001598312469 1017254786 /nfs/dbraw/zinc/25/47/86/1017254786.db2.gz AFAZFEAGPIBEBM-NSHDSACASA-N -1 0 320.349 -0.047 20 0 DBADRM C[C@@H](CNC(=O)c1c[n-]n2c1nccc2=O)NC(=O)[C@@H]1C[C@H]1C ZINC001431879716 1007748537 /nfs/dbraw/zinc/74/85/37/1007748537.db2.gz MUZHDNRHWRIZMT-KXUCPTDWSA-N -1 0 317.349 -0.087 20 0 DBADRM C[C@H](NC(=O)CC1CC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001443173445 1007803802 /nfs/dbraw/zinc/80/38/02/1007803802.db2.gz RBHBVUYYDLYZQQ-ZETCQYMHSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1C(=O)CCC1CC1 ZINC001432091198 1007810731 /nfs/dbraw/zinc/81/07/31/1007810731.db2.gz XTHHPVHHUBSIII-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001443280337 1007823227 /nfs/dbraw/zinc/82/32/27/1007823227.db2.gz MRQBWWHWTNYVNQ-SSDOTTSWSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)[C@@H]3COCCO3)CC2)c1[O-] ZINC001432151997 1007827178 /nfs/dbraw/zinc/82/71/78/1007827178.db2.gz LBFZHSUZAMBDNY-VIFPVBQESA-N -1 0 324.337 -0.782 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)CN1CCOCC1)C(=O)[O-] ZINC001594898622 1017070033 /nfs/dbraw/zinc/07/00/33/1017070033.db2.gz YOGWSFRJZSCAGA-ZWNOBZJWSA-N -1 0 316.354 -0.523 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)[C@@H]1CCC(=O)N1C)C(=O)[O-] ZINC001594906069 1017070287 /nfs/dbraw/zinc/07/02/87/1017070287.db2.gz USCRNIQCKKFYAX-VDDIYKPWSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@H](CO)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001595174693 1017079606 /nfs/dbraw/zinc/07/96/06/1017079606.db2.gz UHZDIBUVJNRHFG-BXKDBHETSA-N -1 0 322.317 -0.248 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCOC[C@H]1COC)C(=O)[O-] ZINC001594894280 1017070424 /nfs/dbraw/zinc/07/04/24/1017070424.db2.gz ONAGGBJOBBBNMQ-DMDPSCGWSA-N -1 0 302.371 -0.051 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@H]1CCCC(=O)N1)C(=O)[O-] ZINC001594905581 1017070551 /nfs/dbraw/zinc/07/05/51/1017070551.db2.gz SLMXMGQBCSFMNJ-YGOYTEALSA-N -1 0 314.338 -0.186 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)C1CN(C(C)=O)C1)C(=O)[O-] ZINC001594895026 1017070834 /nfs/dbraw/zinc/07/08/34/1017070834.db2.gz AEGTZBSAXCTVOX-UFBFGSQYSA-N -1 0 314.338 -0.377 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@H](C)NC(C)=O)C(=O)[O-] ZINC001594902910 1017070944 /nfs/dbraw/zinc/07/09/44/1017070944.db2.gz CZOSOMPQFQAHIB-DKCNOQQISA-N -1 0 302.327 -0.330 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@@H]1CCN(C)C1=O)C(=O)[O-] ZINC001594895231 1017071177 /nfs/dbraw/zinc/07/11/77/1017071177.db2.gz BNQQGEDNAANNHR-IQJOONFLSA-N -1 0 314.338 -0.377 20 0 DBADRM CC[C@H](C)N(CC)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001594982643 1017072438 /nfs/dbraw/zinc/07/24/38/1017072438.db2.gz MZLYBKAJSGDUAC-GARJFASQSA-N -1 0 300.355 -0.073 20 0 DBADRM CC[C@H](C)C[C@@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)C(=O)[O-] ZINC001594950233 1017072501 /nfs/dbraw/zinc/07/25/01/1017072501.db2.gz VXKAUZVUTURSTO-MVWJERBFSA-N -1 0 313.354 -0.145 20 0 DBADRM CCC(CC)NC(=O)CN1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001595121491 1017074598 /nfs/dbraw/zinc/07/45/98/1017074598.db2.gz PIYOKRYXBOSQDX-VXGBXAGGSA-N -1 0 311.382 -0.188 20 0 DBADRM CCC(CC)N1C[C@H](C(=O)NCC(=O)NCC(=O)[O-])CC1=O ZINC001595117120 1017074684 /nfs/dbraw/zinc/07/46/84/1017074684.db2.gz SGMCASRCBZMZIQ-SECBINFHSA-N -1 0 313.354 -0.660 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC001443760277 1007920767 /nfs/dbraw/zinc/92/07/67/1007920767.db2.gz NPTKOZVBHZPJBI-CBAPKCEASA-N -1 0 323.353 -0.721 20 0 DBADRM CN(C(=O)CC1(C)CC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001432424608 1007931160 /nfs/dbraw/zinc/93/11/60/1007931160.db2.gz PXSYBGIHVNRAFV-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM CC[C@@H](CNC(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)[O-] ZINC001595145544 1017076179 /nfs/dbraw/zinc/07/61/79/1017076179.db2.gz MOKKIJHAVHTZSI-JTQLQIEISA-N -1 0 310.354 -0.002 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C(F)F ZINC001496852427 1017076291 /nfs/dbraw/zinc/07/62/91/1017076291.db2.gz HNDMIQKOWFVJDI-UHFFFAOYSA-N -1 0 305.241 -0.874 20 0 DBADRM CC[C@@H](CN1CCOCC1)NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001595131593 1017076364 /nfs/dbraw/zinc/07/63/64/1017076364.db2.gz YABQLHVXJJSTMG-LBPRGKRZSA-N -1 0 310.354 -0.192 20 0 DBADRM CC[C@H](CNC(=O)CNC(C)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001595144687 1017076373 /nfs/dbraw/zinc/07/63/73/1017076373.db2.gz UXNMEYCUOHNMSM-SNVBAGLBSA-N -1 0 309.326 -0.382 20 0 DBADRM CN(C(=O)CCn1cncn1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001443801774 1007934377 /nfs/dbraw/zinc/93/43/77/1007934377.db2.gz FBWQSPGBIUVALT-JTQLQIEISA-N -1 0 320.357 -0.775 20 0 DBADRM CC[C@@H](CN1CCOCC1)NC(=O)C(=O)NCCCC(=O)[O-] ZINC001595131504 1017076826 /nfs/dbraw/zinc/07/68/26/1017076826.db2.gz VWOFMASJEUDIQM-NSHDSACASA-N -1 0 315.370 -0.806 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001443818247 1007939033 /nfs/dbraw/zinc/93/90/33/1007939033.db2.gz LUFAYZWDTFCQMY-BDAKNGLRSA-N -1 0 310.358 -0.946 20 0 DBADRM CC[C@](COC)(NC(=O)[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001595187466 1017077398 /nfs/dbraw/zinc/07/73/98/1017077398.db2.gz MNZYUDQNBBAXOV-BXKDBHETSA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@H](C(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC001432464579 1007945276 /nfs/dbraw/zinc/94/52/76/1007945276.db2.gz CRRRXULYWGZSCA-QMMMGPOBSA-N -1 0 323.353 -0.690 20 0 DBADRM CC[C@@H](F)C(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001432465987 1007945378 /nfs/dbraw/zinc/94/53/78/1007945378.db2.gz JDLRMLIARSVXLK-MRVPVSSYSA-N -1 0 315.305 -0.988 20 0 DBADRM CC[C@](COC)(NC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)[O-] ZINC001595187481 1017078171 /nfs/dbraw/zinc/07/81/71/1017078171.db2.gz CEUUZKBZYZLVGP-GFCCVEGCSA-N -1 0 324.399 -0.300 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001595171457 1017078335 /nfs/dbraw/zinc/07/83/35/1017078335.db2.gz JKRNRUNRXQRGMX-KXUCPTDWSA-N -1 0 321.399 -0.324 20 0 DBADRM CC[C@H](COC)NC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001595198550 1017080030 /nfs/dbraw/zinc/08/00/30/1017080030.db2.gz IVXSRNRZGWCZMY-UTLUCORTSA-N -1 0 302.327 -0.073 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)NC1CC(CC(=O)[O-])C1 ZINC001595171435 1017079303 /nfs/dbraw/zinc/07/93/03/1017079303.db2.gz IKCULGMDZXCTCR-HWOCKDDLSA-N -1 0 321.399 -0.133 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001595173088 1017079545 /nfs/dbraw/zinc/07/95/45/1017079545.db2.gz ZIEKGYHMLLUDTQ-UTINFBMNSA-N -1 0 322.383 -0.691 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001595172697 1017079575 /nfs/dbraw/zinc/07/95/75/1017079575.db2.gz LYDQKXOVNLQROP-UTLUCORTSA-N -1 0 321.399 -0.133 20 0 DBADRM C[C@@]1(NC(=O)CC2CC2)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001432515139 1007959374 /nfs/dbraw/zinc/95/93/74/1007959374.db2.gz PLEGOSWOYRSMDA-CQSZACIVSA-N -1 0 323.353 -0.403 20 0 DBADRM CC[C@H](F)C(=O)N(C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001443943751 1007971409 /nfs/dbraw/zinc/97/14/09/1007971409.db2.gz DHLUQRMNBZBTTD-BQBZGAKWSA-N -1 0 315.305 -0.392 20 0 DBADRM Cc1cccc2nc(CNC(=O)Cn3c(=O)[n-][nH]c3=O)cn21 ZINC001443972771 1007979613 /nfs/dbraw/zinc/97/96/13/1007979613.db2.gz DXAUJUQINZJPFM-UHFFFAOYSA-N -1 0 302.294 -0.038 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1CC12CC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001444040829 1007991717 /nfs/dbraw/zinc/99/17/17/1007991717.db2.gz CDNHFQBEXXFPSQ-SFYZADRCSA-N -1 0 321.337 -0.340 20 0 DBADRM CS[C@H](C)C(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001444103363 1008026481 /nfs/dbraw/zinc/02/64/81/1008026481.db2.gz BSJGEVHMFRJRHR-HTQZYQBOSA-N -1 0 316.383 -0.618 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)[C@@H]1CC1(C)C ZINC001432997639 1008059112 /nfs/dbraw/zinc/05/91/12/1008059112.db2.gz LCUJMTBHKQGXNC-SFYZADRCSA-N -1 0 323.353 -0.189 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)[C@@H]1CC1(C)C ZINC001432997640 1008059795 /nfs/dbraw/zinc/05/97/95/1008059795.db2.gz LCUJMTBHKQGXNC-YUMQZZPRSA-N -1 0 323.353 -0.189 20 0 DBADRM CC[C@H](OC)C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001433260582 1008125528 /nfs/dbraw/zinc/12/55/28/1008125528.db2.gz UBMKMTLXMZYKGI-BDAKNGLRSA-N -1 0 314.342 -0.944 20 0 DBADRM CCC1(C(=O)NC[C@H](O)CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001433266959 1008128161 /nfs/dbraw/zinc/12/81/61/1008128161.db2.gz HDMQXXBGTCKPNK-SECBINFHSA-N -1 0 310.354 -0.179 20 0 DBADRM CCOCC(=O)NC[C@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001444647678 1008207323 /nfs/dbraw/zinc/20/73/23/1008207323.db2.gz SAIPDFZEKGJFMY-VIFPVBQESA-N -1 0 314.342 -0.991 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](NCc2nnnn2C)C(C)C)c1[O-] ZINC001444860305 1008252798 /nfs/dbraw/zinc/25/27/98/1008252798.db2.gz OQUDWJDJEYARJI-VIFPVBQESA-N -1 0 322.373 -0.509 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001445484554 1008382255 /nfs/dbraw/zinc/38/22/55/1008382255.db2.gz RSMFYFDUAKXTDA-FXBDTBDDSA-N -1 0 310.354 -0.229 20 0 DBADRM Cc1cccc(OC[C@H](O)CNC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001445536794 1008393536 /nfs/dbraw/zinc/39/35/36/1008393536.db2.gz PTUHXUXUHASXDJ-SNVBAGLBSA-N -1 0 322.321 -0.446 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@H](O)C1CCOCC1 ZINC001445712902 1008425177 /nfs/dbraw/zinc/42/51/77/1008425177.db2.gz VZZMUEDUHYSHSJ-QMMMGPOBSA-N -1 0 302.356 -0.494 20 0 DBADRM Cc1conc1CN(C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001445764228 1008432039 /nfs/dbraw/zinc/43/20/39/1008432039.db2.gz GKLUCUOEJPRFFP-MRVPVSSYSA-N -1 0 322.325 -0.170 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001445770698 1008433214 /nfs/dbraw/zinc/43/32/14/1008433214.db2.gz ZVLINWBIUKLMJQ-ZJUUUORDSA-N -1 0 324.385 -0.637 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@H](O)COCC1CC1 ZINC001445805216 1008436234 /nfs/dbraw/zinc/43/62/34/1008436234.db2.gz PIJHYUNAURTMBC-QMMMGPOBSA-N -1 0 302.356 -0.494 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1C[C@@H](NC(=O)C2CC2)C1 ZINC001445930144 1008448654 /nfs/dbraw/zinc/44/86/54/1008448654.db2.gz MRIZGGDDDBJMCK-OTSSQURYSA-N -1 0 309.326 -0.890 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCOc1ccc(Cl)cn1 ZINC001446053003 1008467923 /nfs/dbraw/zinc/46/79/23/1008467923.db2.gz QQEPJWUKFJICSL-UHFFFAOYSA-N -1 0 313.701 -0.067 20 0 DBADRM O=C(CCn1ccnc1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001446077113 1008471707 /nfs/dbraw/zinc/47/17/07/1008471707.db2.gz UHXVLYCFYDVJAI-SNVBAGLBSA-N -1 0 305.342 -0.512 20 0 DBADRM Cc1ncoc1CN1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001446117882 1008475385 /nfs/dbraw/zinc/47/53/85/1008475385.db2.gz LJTHRJBPHYJKCO-SECBINFHSA-N -1 0 322.325 -0.624 20 0 DBADRM Cc1ccc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)c(=O)[nH]1 ZINC001446245664 1008494763 /nfs/dbraw/zinc/49/47/63/1008494763.db2.gz DOOOGKAUGVWHGW-UHFFFAOYSA-N -1 0 318.337 -0.028 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NN2CC(=O)N(C)C2=O)cc1=O ZINC001446282770 1008498140 /nfs/dbraw/zinc/49/81/40/1008498140.db2.gz BAXVMLAFOVCJAI-UHFFFAOYSA-N -1 0 309.326 -0.700 20 0 DBADRM CC[C@@]1(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CCNC1=O ZINC001457589377 1008543407 /nfs/dbraw/zinc/54/34/07/1008543407.db2.gz IBNBUSUAUGPBCN-SNVBAGLBSA-N -1 0 301.328 -0.937 20 0 DBADRM CC(C)[C@@H](CNC(=O)[C@H](C)n1cncn1)NC(=O)c1cn[nH]n1 ZINC001457604173 1008549730 /nfs/dbraw/zinc/54/97/30/1008549730.db2.gz QWPQASPEJOPJFA-VHSXEESVSA-N -1 0 320.357 -0.472 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001446603778 1008602454 /nfs/dbraw/zinc/60/24/54/1008602454.db2.gz OPKDWIDPSHNIOM-RMLUDKJBSA-N -1 0 300.274 -0.111 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2c[n-]ncc2=O)[C@H](C(=O)OC)C1 ZINC001446641382 1008633609 /nfs/dbraw/zinc/63/36/09/1008633609.db2.gz IEROZEWYMCOVOR-SCZZXKLOSA-N -1 0 323.305 -0.251 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCC[C@H]1NC(=O)C1CC1 ZINC001457859270 1008656903 /nfs/dbraw/zinc/65/69/03/1008656903.db2.gz SCVGRQRSEKYPIW-NXEZZACHSA-N -1 0 323.353 -0.500 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCC[C@H]1NC(=O)C1CC1 ZINC001457859279 1008659088 /nfs/dbraw/zinc/65/90/88/1008659088.db2.gz SCVGRQRSEKYPIW-VHSXEESVSA-N -1 0 323.353 -0.500 20 0 DBADRM Cc1cc(C(=O)NC[C@@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001446733680 1008720426 /nfs/dbraw/zinc/72/04/26/1008720426.db2.gz AAXVHDMVBKIHPG-AWEZNQCLSA-N -1 0 321.337 -0.221 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc[nH]1 ZINC001446741412 1008740276 /nfs/dbraw/zinc/74/02/76/1008740276.db2.gz RRIFSJDMGVIVQU-ZDUSSCGKSA-N -1 0 306.326 -0.795 20 0 DBADRM Cn1cncc1C(=O)NC[C@H](O)CNC(=O)c1ncccc1O ZINC001457975685 1008791299 /nfs/dbraw/zinc/79/12/99/1008791299.db2.gz XBDKCRPZIZQILL-VIFPVBQESA-N -1 0 319.321 -0.959 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc(F)cn1 ZINC001446835281 1008818025 /nfs/dbraw/zinc/81/80/25/1008818025.db2.gz NZHKCZURXGUXRO-UHFFFAOYSA-N -1 0 322.300 -0.979 20 0 DBADRM C[C@H](C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CCCC1 ZINC001446900191 1008842589 /nfs/dbraw/zinc/84/25/89/1008842589.db2.gz KXCYAQZICGBXBA-JTQLQIEISA-N -1 0 323.397 -0.001 20 0 DBADRM CCC(=O)NCC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001446962909 1008859283 /nfs/dbraw/zinc/85/92/83/1008859283.db2.gz IIKQLWPJNQVEMM-VIFPVBQESA-N -1 0 323.353 -0.719 20 0 DBADRM CCC(=O)N1CC[C@H]1CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001458746070 1008871750 /nfs/dbraw/zinc/87/17/50/1008871750.db2.gz IWUOOPZXXIRDMP-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM CC(C)C(=O)NCC1(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001458867263 1008889135 /nfs/dbraw/zinc/88/91/35/1008889135.db2.gz GBDNUCYTMUYICC-UHFFFAOYSA-N -1 0 308.338 -0.480 20 0 DBADRM CCC(=O)NC[C@H]1COCCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC001447100331 1008896942 /nfs/dbraw/zinc/89/69/42/1008896942.db2.gz NPZXEGZFIYSLCO-LBPRGKRZSA-N -1 0 319.365 -0.250 20 0 DBADRM Cc1c(CC(=O)NCC2(NC(=O)c3cn[nH]n3)CC2)cnn1C ZINC001458962205 1008906304 /nfs/dbraw/zinc/90/63/04/1008906304.db2.gz CMVNQBIPUNTQLJ-UHFFFAOYSA-N -1 0 317.353 -0.532 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001459033047 1008922358 /nfs/dbraw/zinc/92/23/58/1008922358.db2.gz OXTWRNKBSHTJBB-BQBZGAKWSA-N -1 0 307.310 -0.683 20 0 DBADRM CCCC(=O)N[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001447195918 1008946658 /nfs/dbraw/zinc/94/66/58/1008946658.db2.gz OYBGFCCLCQDGKZ-QMMMGPOBSA-N -1 0 309.326 -0.293 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NCc3ncnn3C)CCC2)c1[O-] ZINC001447198804 1008948040 /nfs/dbraw/zinc/94/80/40/1008948040.db2.gz NWCLKCZMHCPFKN-UHFFFAOYSA-N -1 0 319.369 -0.005 20 0 DBADRM CC(=O)N[C@@]1(C)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001459425436 1009021667 /nfs/dbraw/zinc/02/16/67/1009021667.db2.gz MEBVPWGZNYSSJH-ZDUSSCGKSA-N -1 0 311.342 -0.403 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1CCNC(=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001447332799 1009033985 /nfs/dbraw/zinc/03/39/85/1009033985.db2.gz VWDDPZXLKDIOIQ-JTQLQIEISA-N -1 0 324.385 -0.683 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cn(C[C@H]2CCOC2)nn1)c1nnn[n-]1 ZINC001447363886 1009047442 /nfs/dbraw/zinc/04/74/42/1009047442.db2.gz OXKMGUQMUSKMQM-VHSXEESVSA-N -1 0 320.357 -0.297 20 0 DBADRM CCN1C[C@H](S(=O)(=O)[N-][C@@](C)(COC)C(=O)OC)CC1=O ZINC001463323200 1009204065 /nfs/dbraw/zinc/20/40/65/1009204065.db2.gz DIURSZVTRRYULW-SKDRFNHKSA-N -1 0 322.383 -0.895 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1 ZINC001462798348 1009177952 /nfs/dbraw/zinc/17/79/52/1009177952.db2.gz MGBGFQUFKBGMBT-MRVPVSSYSA-N -1 0 318.442 -0.484 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(C(F)F)ncn1 ZINC001447645182 1009212240 /nfs/dbraw/zinc/21/22/40/1009212240.db2.gz MCWLXLSHCDZERX-UHFFFAOYSA-N -1 0 322.293 -0.390 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(O)c1F ZINC001447649727 1009214059 /nfs/dbraw/zinc/21/40/59/1009214059.db2.gz YVDIYBYKEXARRF-UHFFFAOYSA-N -1 0 304.299 -0.273 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@@H]1CCC2(CCC2)O1 ZINC001463410807 1009220180 /nfs/dbraw/zinc/22/01/80/1009220180.db2.gz VTLKJHNZOURIGU-WDEREUQCSA-N -1 0 321.395 -0.069 20 0 DBADRM CN1C(=O)CN([N-]S(=O)(=O)c2ccc(Cl)nc2F)C1=O ZINC001463500420 1009222040 /nfs/dbraw/zinc/22/20/40/1009222040.db2.gz VCFTUZLMWZCTGS-UHFFFAOYSA-N -1 0 322.705 -0.039 20 0 DBADRM COC(=O)c1cn(C2CN(S(=O)(=O)c3ncc[n-]3)C2)nn1 ZINC001463487468 1009223020 /nfs/dbraw/zinc/22/30/20/1009223020.db2.gz ZWIHGHPCLDVBLY-UHFFFAOYSA-N -1 0 312.311 -0.967 20 0 DBADRM Cc1nc([C@H]([N-]S(=O)(=O)C2COC2)c2cnn(C)c2)no1 ZINC001463780683 1009244001 /nfs/dbraw/zinc/24/40/01/1009244001.db2.gz FRHGFDCBBAMTJH-SNVBAGLBSA-N -1 0 313.339 -0.481 20 0 DBADRM CCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001447710088 1009247432 /nfs/dbraw/zinc/24/74/32/1009247432.db2.gz KFDLCTHUPPMBLQ-MBTKJCJQSA-N -1 0 321.337 -0.340 20 0 DBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001463799545 1009247975 /nfs/dbraw/zinc/24/79/75/1009247975.db2.gz GJXVCGHIIGJQDY-VGMNWLOBSA-N -1 0 311.331 -0.241 20 0 DBADRM COCC[C@@H]([N-]S(=O)(=O)Cc1nocc1C)C(=O)OC ZINC001463820655 1009251008 /nfs/dbraw/zinc/25/10/08/1009251008.db2.gz WAADVHPNDXFMCU-SECBINFHSA-N -1 0 306.340 -0.019 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)NCC2(C(=O)[O-])CCOCC2)n1 ZINC001598353017 1017257072 /nfs/dbraw/zinc/25/70/72/1017257072.db2.gz XCALSEVXXMABRA-UHFFFAOYSA-N -1 0 324.341 -0.869 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC001598352817 1017257366 /nfs/dbraw/zinc/25/73/66/1017257366.db2.gz SBGKRINYOKTVJI-SFYZADRCSA-N -1 0 308.342 -0.107 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H](O)[C@@H]1CCCO1 ZINC001464082848 1009290872 /nfs/dbraw/zinc/29/08/72/1009290872.db2.gz RTEQLJZQYWUNSS-ZJUUUORDSA-N -1 0 314.429 -0.132 20 0 DBADRM CN(C)c1noc(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001598364621 1017257544 /nfs/dbraw/zinc/25/75/44/1017257544.db2.gz NOPALVMLPHTWTF-YUMQZZPRSA-N -1 0 313.314 -0.887 20 0 DBADRM CN(C)c1noc(CNC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001598364288 1017257553 /nfs/dbraw/zinc/25/75/53/1017257553.db2.gz FXXNCDRDCUECJH-IUCAKERBSA-N -1 0 323.353 -0.405 20 0 DBADRM CN(C)c1ccnc(C(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC001598345949 1017257765 /nfs/dbraw/zinc/25/77/65/1017257765.db2.gz JKISQUJRROHZMD-QWRGUYRKSA-N -1 0 320.349 -0.286 20 0 DBADRM CN(C)c1ncc(CN2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)n1C ZINC001598353770 1017258324 /nfs/dbraw/zinc/25/83/24/1017258324.db2.gz KVDFEFXZTIGWJM-OPRDCNLKSA-N -1 0 321.337 -0.373 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1COC[C@@H]1O ZINC001464208507 1009299800 /nfs/dbraw/zinc/29/98/00/1009299800.db2.gz NJQBMCSRZRHMND-SNPJHEAGSA-N -1 0 300.402 -0.523 20 0 DBADRM COCCOCCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001464453757 1009311674 /nfs/dbraw/zinc/31/16/74/1009311674.db2.gz LDJQGLCERSJYAY-UHFFFAOYSA-N -1 0 322.321 -0.341 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCCO3)n1 ZINC001464428567 1009312383 /nfs/dbraw/zinc/31/23/83/1009312383.db2.gz KJEMLOYFXQJFSI-UHFFFAOYSA-N -1 0 324.322 -0.867 20 0 DBADRM CN(CC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])S(C)(=O)=O ZINC001598386625 1017261150 /nfs/dbraw/zinc/26/11/50/1017261150.db2.gz DTMXXFKXSWESDM-RXMQYKEDSA-N -1 0 306.262 -0.600 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)c1ccc(C(=O)[O-])n1C ZINC001598380885 1017261309 /nfs/dbraw/zinc/26/13/09/1017261309.db2.gz OWTYVDJZDBPDAF-UHFFFAOYSA-N -1 0 309.322 -0.346 20 0 DBADRM CN(CC(=O)NC1(CC(=O)[O-])CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001598387133 1017261570 /nfs/dbraw/zinc/26/15/70/1017261570.db2.gz RHODNXYEISXXOF-SNVBAGLBSA-N -1 0 318.395 -0.381 20 0 DBADRM CN(CC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)S(C)(=O)=O ZINC001598396882 1017264225 /nfs/dbraw/zinc/26/42/25/1017264225.db2.gz VMWREYBLJFLSEQ-RGOKHQFPSA-N -1 0 304.368 -0.507 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)CC(N)=O)c1ccnc(C(=O)[O-])n1 ZINC001598460021 1017268928 /nfs/dbraw/zinc/26/89/28/1017268928.db2.gz DYHBLVYDZXVOSV-SECBINFHSA-N -1 0 321.337 -0.523 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(S(=O)(=O)c2ccccc2[O-])C1 ZINC001464696427 1009335289 /nfs/dbraw/zinc/33/52/89/1009335289.db2.gz DJVXGXWZTISEPC-VIFPVBQESA-N -1 0 320.392 -0.309 20 0 DBADRM CN(CC(=O)OCc1cnc(C(=O)[O-])cn1)S(C)(=O)=O ZINC001598417686 1017266329 /nfs/dbraw/zinc/26/63/29/1017266329.db2.gz KBWRVFQDDBCOBA-UHFFFAOYSA-N -1 0 303.296 -0.891 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001464821465 1009341290 /nfs/dbraw/zinc/34/12/90/1009341290.db2.gz SDEIZMOSIXVNDP-MRVPVSSYSA-N -1 0 301.310 -0.965 20 0 DBADRM CN(CC(C)(C)CO)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598423763 1017266601 /nfs/dbraw/zinc/26/66/01/1017266601.db2.gz NRTFAQSBMFDKIU-JTQLQIEISA-N -1 0 300.355 -0.214 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)c2s[n-]c(=O)c2Cl)C1 ZINC001447837107 1009342453 /nfs/dbraw/zinc/34/24/53/1009342453.db2.gz IKIHCHWJXZYJFW-GSVOUGTGSA-N -1 0 304.715 -0.138 20 0 DBADRM CN(C[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)[C@@H]1CCCO1 ZINC001598435233 1017267145 /nfs/dbraw/zinc/26/71/45/1017267145.db2.gz DJAOLKIFCLDBJC-UWVGGRQHSA-N -1 0 324.337 -0.993 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001598432104 1017267473 /nfs/dbraw/zinc/26/74/73/1017267473.db2.gz AVJYSUKRRSUYDU-XHDPSFHLSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001598430650 1017267716 /nfs/dbraw/zinc/26/77/16/1017267716.db2.gz WTFUUDMPHVLXRM-UHFFFAOYSA-N -1 0 314.685 -0.685 20 0 DBADRM CN(CC(C)(C)C)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001598419506 1017267928 /nfs/dbraw/zinc/26/79/28/1017267928.db2.gz KEQFIAPOSPANGG-VHSXEESVSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)N1CCCC[C@@H]1C ZINC001464901542 1009352195 /nfs/dbraw/zinc/35/21/95/1009352195.db2.gz XAYQZTSLXWNLJM-YUMQZZPRSA-N -1 0 309.326 -0.198 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001464955613 1009356297 /nfs/dbraw/zinc/35/62/97/1009356297.db2.gz XWAMSYBEOUDKQK-JTQLQIEISA-N -1 0 313.358 -0.694 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1CCCS(=O)(=O)C1 ZINC001465169006 1009360939 /nfs/dbraw/zinc/36/09/39/1009360939.db2.gz MXYQPZWUYKQRAS-ZCFIWIBFSA-N -1 0 306.369 -0.704 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)C[C@H]2COC(=O)C2)c1[O-] ZINC001447871963 1009361879 /nfs/dbraw/zinc/36/18/79/1009361879.db2.gz MGMCOSLOQWAVTE-VXNVDRBHSA-N -1 0 324.337 -0.389 20 0 DBADRM CC[S@](=O)CCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001465145222 1009362458 /nfs/dbraw/zinc/36/24/58/1009362458.db2.gz QONVDCAAWUIIHB-QFIPXVFZSA-N -1 0 324.362 -0.235 20 0 DBADRM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)CCc2nnn[n-]2)C1 ZINC001465267704 1009363530 /nfs/dbraw/zinc/36/35/30/1009363530.db2.gz NDOKLAVRGHVHAJ-BDAKNGLRSA-N -1 0 301.372 -0.396 20 0 DBADRM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)CCc2nnn[n-]2)C1 ZINC001465267706 1009365247 /nfs/dbraw/zinc/36/52/47/1009365247.db2.gz NDOKLAVRGHVHAJ-IUCAKERBSA-N -1 0 301.372 -0.396 20 0 DBADRM COC(=O)[C@@H]1CC12CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC001465214390 1009365428 /nfs/dbraw/zinc/36/54/28/1009365428.db2.gz ADUYIVFHJBBRQV-QMMMGPOBSA-N -1 0 310.310 -0.509 20 0 DBADRM CCC[C@@H](NC(=O)c1cn(C[C@H](O)CC)nn1)c1nnn[n-]1 ZINC001465685481 1009383611 /nfs/dbraw/zinc/38/36/11/1009383611.db2.gz RXAVARKLCJNRKA-RKDXNWHRSA-N -1 0 308.346 -0.167 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)CCc1nnn[n-]1)CC2 ZINC001465839192 1009387986 /nfs/dbraw/zinc/38/79/86/1009387986.db2.gz JZIJZXCUTWJBLY-QMMMGPOBSA-N -1 0 306.330 -0.999 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CC12CCC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001447938552 1009405351 /nfs/dbraw/zinc/40/53/51/1009405351.db2.gz SVISYOHUVLSRQA-IUCAKERBSA-N -1 0 323.353 -0.500 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC001466258884 1009412325 /nfs/dbraw/zinc/41/23/25/1009412325.db2.gz UNKQNHIUDPIMAJ-FSPLSTOPSA-N -1 0 310.232 -0.397 20 0 DBADRM O=C(N[C@@H](CO)C1CC1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001466351386 1009419509 /nfs/dbraw/zinc/41/95/09/1009419509.db2.gz FYQACBHWHRCBAP-NSHDSACASA-N -1 0 304.306 -0.233 20 0 DBADRM CCOC(=O)[C@]1(C)CN(C(=O)N=c2nn[n-]n2CC)CCO1 ZINC001466547617 1009434086 /nfs/dbraw/zinc/43/40/86/1009434086.db2.gz YLDWSTSCSFIZJI-LBPRGKRZSA-N -1 0 312.330 -0.699 20 0 DBADRM Cc1cc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cnn1 ZINC001447999398 1009447648 /nfs/dbraw/zinc/44/76/48/1009447648.db2.gz CEGAXQKEQNXFIH-VIFPVBQESA-N -1 0 305.342 -0.141 20 0 DBADRM COC[C@@H](CNC(=O)c1cccc(-n2[n-]nnc2=N)c1)OC ZINC001466796022 1009448447 /nfs/dbraw/zinc/44/84/47/1009448447.db2.gz HMRCZZPNAPQTCI-LLVKDONJSA-N -1 0 306.326 -0.534 20 0 DBADRM C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001466860017 1009452188 /nfs/dbraw/zinc/45/21/88/1009452188.db2.gz AWZMQVVELJWWNG-SECBINFHSA-N -1 0 324.362 -0.328 20 0 DBADRM CCOC(=O)[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C(C)C ZINC001466837268 1009453857 /nfs/dbraw/zinc/45/38/57/1009453857.db2.gz FDWORELTIQTOBC-JTQLQIEISA-N -1 0 322.383 -0.596 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001466865468 1009454993 /nfs/dbraw/zinc/45/49/93/1009454993.db2.gz XXFPWPXURBHIET-VIFPVBQESA-N -1 0 317.305 -0.389 20 0 DBADRM CN1CCO[C@H](C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)C1=O ZINC001466901389 1009455447 /nfs/dbraw/zinc/45/54/47/1009455447.db2.gz GLSRHKKJZVBHLS-SNVBAGLBSA-N -1 0 318.293 -0.836 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)CCS(C)(=O)=O)c1[O-] ZINC001448011383 1009455482 /nfs/dbraw/zinc/45/54/82/1009455482.db2.gz NORJHQVBORBXFP-QMMMGPOBSA-N -1 0 318.399 -0.482 20 0 DBADRM COC[C@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H](C)O1 ZINC001466970968 1009463465 /nfs/dbraw/zinc/46/34/65/1009463465.db2.gz ZQAABPLWXOZOOV-VHSXEESVSA-N -1 0 314.342 -0.268 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448045674 1009492995 /nfs/dbraw/zinc/49/29/95/1009492995.db2.gz LQEBDBYVCJPEBB-ZJUUUORDSA-N -1 0 324.385 -0.685 20 0 DBADRM O=C(c1ccnc(CO)c1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001467456333 1009493940 /nfs/dbraw/zinc/49/39/40/1009493940.db2.gz PXXPZFABOPWLPO-UHFFFAOYSA-N -1 0 304.310 -0.789 20 0 DBADRM O=C(c1ccc(O)cc1O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001467456609 1009494620 /nfs/dbraw/zinc/49/46/20/1009494620.db2.gz OKJSSYDYLDWQKS-UHFFFAOYSA-N -1 0 305.294 -0.265 20 0 DBADRM CCCN1C[C@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CC1=O ZINC001467456809 1009497016 /nfs/dbraw/zinc/49/70/16/1009497016.db2.gz SVRWXUWTMDTLMM-SNVBAGLBSA-N -1 0 322.369 -0.732 20 0 DBADRM CNC(=O)[C@@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C(C)C ZINC001467571724 1009510433 /nfs/dbraw/zinc/51/04/33/1009510433.db2.gz UHLUBVGEEMXEBG-NSHDSACASA-N -1 0 317.353 -0.425 20 0 DBADRM COc1ccc(-n2cc([O-])c(C(=O)NC[C@@H](O)C(N)=O)n2)cc1 ZINC001467711026 1009516068 /nfs/dbraw/zinc/51/60/68/1009516068.db2.gz HNBQKZQBYGEAOD-SNVBAGLBSA-N -1 0 320.305 -0.838 20 0 DBADRM Cn1nc([C@H]2CCCOC2)cc1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001467776079 1009520836 /nfs/dbraw/zinc/52/08/36/1009520836.db2.gz UWMSCSXNURXXBS-QMMMGPOBSA-N -1 0 322.325 -0.045 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1ccc(-n2cncn2)nc1 ZINC001467889049 1009526127 /nfs/dbraw/zinc/52/61/27/1009526127.db2.gz HXEIGOPTFCCBFM-UHFFFAOYSA-N -1 0 305.298 -0.861 20 0 DBADRM CC[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H](C)S1(=O)=O ZINC001467868453 1009527580 /nfs/dbraw/zinc/52/75/80/1009527580.db2.gz DGORZJFXWDRUNI-YUMQZZPRSA-N -1 0 318.355 -0.887 20 0 DBADRM C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001467907068 1009529914 /nfs/dbraw/zinc/52/99/14/1009529914.db2.gz KGOVIVXYLAQLMN-NTSWFWBYSA-N -1 0 310.232 -0.133 20 0 DBADRM C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001467907069 1009531687 /nfs/dbraw/zinc/53/16/87/1009531687.db2.gz KGOVIVXYLAQLMN-PHDIDXHHSA-N -1 0 310.232 -0.133 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H](C)[S@@]1=O ZINC001467925799 1009531764 /nfs/dbraw/zinc/53/17/64/1009531764.db2.gz PKFSMSDQOFMRMJ-UAXAAPNGSA-N -1 0 302.356 -0.553 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CC(C)(F)F ZINC001448114198 1009539783 /nfs/dbraw/zinc/53/97/83/1009539783.db2.gz WSNDPSMTQLVCIM-ZCFIWIBFSA-N -1 0 321.284 -0.645 20 0 DBADRM O=C(c1n[n-]c2ccccc2c1=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001468246768 1009549584 /nfs/dbraw/zinc/54/95/84/1009549584.db2.gz GYNLTFZJWUGJMU-DTORHVGOSA-N -1 0 312.285 -0.320 20 0 DBADRM CN(C[C@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)c1cc[nH]c1 ZINC001598436876 1017269543 /nfs/dbraw/zinc/26/95/43/1017269543.db2.gz QVZOMLNEHZSDAL-SNVBAGLBSA-N -1 0 319.321 -0.530 20 0 DBADRM CN(C[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)[C@H]1CC12CC2 ZINC001598435825 1017270639 /nfs/dbraw/zinc/27/06/39/1017270639.db2.gz HTNTYTPBOJAQDH-VHSXEESVSA-N -1 0 320.349 -0.372 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](O)Cc1cccc(F)c1 ZINC001468472574 1009567085 /nfs/dbraw/zinc/56/70/85/1009567085.db2.gz KQCPYRXJKOIRNR-SNVBAGLBSA-N -1 0 310.285 -0.452 20 0 DBADRM CCn1ncn([N-]C(=O)c2coc3c2C(=O)NCCC3)c1=O ZINC001468547574 1009570655 /nfs/dbraw/zinc/57/06/55/1009570655.db2.gz NPTSQKBVKWIVOE-UHFFFAOYSA-N -1 0 305.294 -0.282 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC001468542316 1009571942 /nfs/dbraw/zinc/57/19/42/1009571942.db2.gz YQGNZGFIHIOQBB-YFKPBYRVSA-N -1 0 323.231 -0.440 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@H](CO)Cc1ccco1 ZINC001598470987 1017271727 /nfs/dbraw/zinc/27/17/27/1017271727.db2.gz DYOXZSLCEPEVNM-SNVBAGLBSA-N -1 0 320.367 -0.329 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC1CC2(C1)OCCO2 ZINC001598471234 1017272498 /nfs/dbraw/zinc/27/24/98/1017272498.db2.gz RAYZUHRNRNZZKT-UHFFFAOYSA-N -1 0 308.356 -0.620 20 0 DBADRM CSCC[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)N(C)C ZINC001468630359 1009579266 /nfs/dbraw/zinc/57/92/66/1009579266.db2.gz LWNCQEDDXYACTD-LURJTMIESA-N -1 0 315.355 -0.778 20 0 DBADRM CN(CCN1CCOCC1)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001598488637 1017282465 /nfs/dbraw/zinc/28/24/65/1017282465.db2.gz ICRQYJGSIMNSCT-UHFFFAOYSA-N -1 0 308.400 -0.309 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001598477529 1017274396 /nfs/dbraw/zinc/27/43/96/1017274396.db2.gz QACIOTQPYHYRTI-JZRPKSSGSA-N -1 0 324.377 -0.094 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001598473710 1017274912 /nfs/dbraw/zinc/27/49/12/1017274912.db2.gz IHOQPRKMVMIFCR-WDEREUQCSA-N -1 0 308.338 -0.261 20 0 DBADRM CN(CCCC(=O)N[C@](C)(CO)C(=O)[O-])C(=O)c1ccncc1 ZINC001598472375 1017275490 /nfs/dbraw/zinc/27/54/90/1017275490.db2.gz QDUOIIPAOHNXSR-OAHLLOKOSA-N -1 0 323.349 -0.114 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N(C)CCCC(=O)[O-] ZINC001598474843 1017275605 /nfs/dbraw/zinc/27/56/05/1017275605.db2.gz PRZGRSRCFSNHDM-KRWDZBQOSA-N -1 0 301.390 -0.398 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N(C)CCCC(=O)[O-] ZINC001598474844 1017275668 /nfs/dbraw/zinc/27/56/68/1017275668.db2.gz PRZGRSRCFSNHDM-QGZVFWFLSA-N -1 0 301.390 -0.398 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)CCn1cccn1 ZINC001598480545 1017277310 /nfs/dbraw/zinc/27/73/10/1017277310.db2.gz WTDFYGVCXYWSNG-RYUDHWBXSA-N -1 0 322.365 -0.041 20 0 DBADRM CN(CCCNC(=O)c1cncn1C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598481157 1017277787 /nfs/dbraw/zinc/27/77/87/1017277787.db2.gz IFKIOTZZMOXTBR-ZJUUUORDSA-N -1 0 308.338 -0.281 20 0 DBADRM CN(CCCNC(=O)c1cn(C)nn1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598481607 1017278744 /nfs/dbraw/zinc/27/87/44/1017278744.db2.gz VNQNVTHCUVZVRA-DTWKUNHWSA-N -1 0 309.326 -0.886 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)CCc1c[nH]cn1 ZINC001598486546 1017279265 /nfs/dbraw/zinc/27/92/65/1017279265.db2.gz PYJTXQFMJGNSEZ-NEPJUHHUSA-N -1 0 322.365 -0.020 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)Cc1ccon1 ZINC001598486946 1017280436 /nfs/dbraw/zinc/28/04/36/1017280436.db2.gz XHQGEUOZBRLYCL-WDEREUQCSA-N -1 0 309.322 -0.145 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1cc[n+]([O-])cc1 ZINC001598486615 1017280463 /nfs/dbraw/zinc/28/04/63/1017280463.db2.gz SMHAJNDTMBRPHX-NWDGAFQWSA-N -1 0 321.333 -0.429 20 0 DBADRM CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)c1cnnn1C ZINC001598483232 1017280473 /nfs/dbraw/zinc/28/04/73/1017280473.db2.gz PIRMIYBNIMTMBN-UHFFFAOYSA-N -1 0 319.325 -0.701 20 0 DBADRM CN(CCNC(=O)[C@]1(F)CCOC1)c1ccnc(C(=O)[O-])n1 ZINC001598489094 1017281429 /nfs/dbraw/zinc/28/14/29/1017281429.db2.gz LJVVZFIHWTWGGI-ZDUSSCGKSA-N -1 0 312.301 -0.144 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001598488004 1017281843 /nfs/dbraw/zinc/28/18/43/1017281843.db2.gz CUXOCQNDYRAZRT-UHFFFAOYSA-N -1 0 315.351 -0.180 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)CCc1cnccn1 ZINC001598489088 1017282940 /nfs/dbraw/zinc/28/29/40/1017282940.db2.gz LCZLLTWWSJPBLS-NEPJUHHUSA-N -1 0 320.349 -0.296 20 0 DBADRM CN(CCNC(=O)[C@@]1(C)CCNC1=O)c1ncc(C(=O)[O-])cn1 ZINC001598489023 1017282947 /nfs/dbraw/zinc/28/29/47/1017282947.db2.gz JKHPHNIZAAAVBJ-AWEZNQCLSA-N -1 0 321.337 -0.747 20 0 DBADRM CC(C)(C)[C@H](NC(=O)CSCC(N)=O)c1nc(=O)o[n-]1 ZINC001469343976 1009653704 /nfs/dbraw/zinc/65/37/04/1009653704.db2.gz VRNBGSZPTJGKBJ-MRVPVSSYSA-N -1 0 302.356 -0.215 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1nc(=O)o[n-]1 ZINC001469342409 1009654455 /nfs/dbraw/zinc/65/44/55/1009654455.db2.gz MKBKJEOBHJGTJQ-NKWVEPMBSA-N -1 0 318.355 -0.742 20 0 DBADRM Cc1nnc(CC(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001448280526 1009672007 /nfs/dbraw/zinc/67/20/07/1009672007.db2.gz GXHWXXOFEZYGRS-ZETCQYMHSA-N -1 0 320.357 -0.884 20 0 DBADRM CON(C)CCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC001469639996 1009678398 /nfs/dbraw/zinc/67/83/98/1009678398.db2.gz UCYXZWBRZSJOTK-UHFFFAOYSA-N -1 0 307.310 -0.033 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001469748297 1009684404 /nfs/dbraw/zinc/68/44/04/1009684404.db2.gz CXQXXWRWXINRAF-VQXVYSPMSA-N -1 0 300.340 -0.799 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@]1(C)Oc2ccccc2NC1=O ZINC001469794780 1009690644 /nfs/dbraw/zinc/69/06/44/1009690644.db2.gz AZDCGUMSAWWBFD-CQSZACIVSA-N -1 0 307.306 -0.040 20 0 DBADRM CCc1nnc(C)cc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448350226 1009730502 /nfs/dbraw/zinc/73/05/02/1009730502.db2.gz PAQFIKGFYDORSD-UHFFFAOYSA-N -1 0 317.353 -0.016 20 0 DBADRM Cc1cc(C)n2nc(C(=O)[N-]N3C(=O)[C@@H](C)N(C)C3=O)nc2n1 ZINC001470308869 1009732293 /nfs/dbraw/zinc/73/22/93/1009732293.db2.gz OKSRLLOUNDRKCN-MRVPVSSYSA-N -1 0 317.309 -0.332 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001448385826 1009740444 /nfs/dbraw/zinc/74/04/44/1009740444.db2.gz OGCHJRPUOCZVSY-SCZZXKLOSA-N -1 0 324.385 -0.639 20 0 DBADRM CN(C(=O)[C@H](CS(C)(=O)=O)c1ccccc1)c1nnn[n-]1 ZINC001470573207 1009761490 /nfs/dbraw/zinc/76/14/90/1009761490.db2.gz ZFYASSTXCJLOOZ-SNVBAGLBSA-N -1 0 309.351 -0.009 20 0 DBADRM CON(C)C(=O)CNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001470565699 1009762522 /nfs/dbraw/zinc/76/25/22/1009762522.db2.gz ARMWTGZMSVZHKN-QMMMGPOBSA-N -1 0 312.330 -0.581 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001471220629 1009813375 /nfs/dbraw/zinc/81/33/75/1009813375.db2.gz MWDHDMBVCIZKOH-HTRCEHHLSA-N -1 0 316.339 -0.703 20 0 DBADRM O=C(c1cn([C@@H]2CC[C@H]2O)nn1)N1CCC(c2nnn[n-]2)CC1 ZINC001471334368 1009817327 /nfs/dbraw/zinc/81/73/27/1009817327.db2.gz BVCJSXKSJYGXMA-GHMZBOCLSA-N -1 0 318.341 -0.493 20 0 DBADRM CSCC(=O)N[C@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001448590800 1009824204 /nfs/dbraw/zinc/82/42/04/1009824204.db2.gz DCYJPUFNFUKAQG-SSDOTTSWSA-N -1 0 317.371 -0.937 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001471459156 1009825342 /nfs/dbraw/zinc/82/53/42/1009825342.db2.gz BJSZJELUCJKDPO-IUCAKERBSA-N -1 0 304.310 -0.073 20 0 DBADRM Nc1ncnc2cc(C(=O)NCCc3nc(=O)o[n-]3)ccc12 ZINC001448632605 1009831414 /nfs/dbraw/zinc/83/14/14/1009831414.db2.gz WETJOLUGAXDGAT-UHFFFAOYSA-N -1 0 300.278 -0.139 20 0 DBADRM Cn1cnnc1[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001471649821 1009834666 /nfs/dbraw/zinc/83/46/66/1009834666.db2.gz HTFXBFHZLBEVFL-VIFPVBQESA-N -1 0 321.341 -0.386 20 0 DBADRM CCOC(=O)NCCCC(=O)N[C@H](COC)c1nnn[n-]1 ZINC001471845090 1009848195 /nfs/dbraw/zinc/84/81/95/1009848195.db2.gz CZXPGZWPFSBCJZ-MRVPVSSYSA-N -1 0 300.319 -0.470 20 0 DBADRM COC[C@H](NC(=O)[C@H](C)NC(=O)c1ccco1)c1nnn[n-]1 ZINC001471845894 1009848436 /nfs/dbraw/zinc/84/84/36/1009848436.db2.gz QBRBTTWUHVMEJC-YUMQZZPRSA-N -1 0 308.298 -0.585 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1nnn[n-]1 ZINC001471843555 1009849127 /nfs/dbraw/zinc/84/91/27/1009849127.db2.gz KUEFMDOPIPUZIU-MNOVXSKESA-N -1 0 317.305 -0.215 20 0 DBADRM COC[C@H](NC(=O)Cc1ccc2c(c1)OCO2)c1nnn[n-]1 ZINC001471844118 1009849441 /nfs/dbraw/zinc/84/94/41/1009849441.db2.gz TXSOMHIFHVGPIK-VIFPVBQESA-N -1 0 305.294 -0.025 20 0 DBADRM COC[C@H](NC(=O)c1ccc(C(=O)OC)nc1)c1nnn[n-]1 ZINC001471843898 1009849566 /nfs/dbraw/zinc/84/95/66/1009849566.db2.gz QUBOXLKCRIBUEF-VIFPVBQESA-N -1 0 306.282 -0.501 20 0 DBADRM CO[N-]C(=O)CNC(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC001472186258 1009872404 /nfs/dbraw/zinc/87/24/04/1009872404.db2.gz TUGRNLBVFRFEJS-UHFFFAOYSA-N -1 0 304.306 -0.309 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001448791589 1009877335 /nfs/dbraw/zinc/87/73/35/1009877335.db2.gz JJEWDZCZONPNJM-UHFFFAOYSA-N -1 0 311.342 -0.910 20 0 DBADRM COC(=O)[C@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001448791419 1009877606 /nfs/dbraw/zinc/87/76/06/1009877606.db2.gz IIPUPVKGECRWNI-BDAKNGLRSA-N -1 0 324.337 -0.579 20 0 DBADRM C[C@H]1CCN(Cc2cc(=O)n3[n-]c(N)nc3n2)[C@@H](C(N)=O)C1 ZINC001473408780 1009919685 /nfs/dbraw/zinc/91/96/85/1009919685.db2.gz IENSIBFTTMEVAB-IONNQARKSA-N -1 0 305.342 -0.914 20 0 DBADRM Cc1nc(CN[C@@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])co1 ZINC001448847697 1009966893 /nfs/dbraw/zinc/96/68/93/1009966893.db2.gz YJRHVFJRUFMLAU-SECBINFHSA-N -1 0 309.326 -0.399 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)C[C@H]2CCOC2)n[nH]1 ZINC001475031063 1009991986 /nfs/dbraw/zinc/99/19/86/1009991986.db2.gz SSQIVCNQEVUHMH-MRVPVSSYSA-N -1 0 303.340 -0.147 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H](C)C(=O)N(C)C ZINC001475050723 1009992792 /nfs/dbraw/zinc/99/27/92/1009992792.db2.gz XMGOXWBKEKUCFK-SSDOTTSWSA-N -1 0 304.324 -0.179 20 0 DBADRM O=c1nc(CCNS(=O)(=O)c2ccnn2C2CCC2)[n-]o1 ZINC001475254597 1010012652 /nfs/dbraw/zinc/01/26/52/1010012652.db2.gz WNDIDTMACFRTSB-UHFFFAOYSA-N -1 0 313.339 -0.195 20 0 DBADRM NC(=O)c1coc(C[N-]S(=O)(=O)c2ccc(F)nc2F)n1 ZINC001475482937 1010034080 /nfs/dbraw/zinc/03/40/80/1010034080.db2.gz FFNQQWNCCMPHNP-UHFFFAOYSA-N -1 0 318.261 -0.075 20 0 DBADRM COC(=O)C[C@@H](O)CNS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001475556402 1010036570 /nfs/dbraw/zinc/03/65/70/1010036570.db2.gz VAAGCXDGINQUGM-SECBINFHSA-N -1 0 307.299 -0.266 20 0 DBADRM CN1C(=O)N=NC1CNS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001475635702 1010043538 /nfs/dbraw/zinc/04/35/38/1010043538.db2.gz XQTVBBXZIQJJGF-UHFFFAOYSA-N -1 0 302.287 -0.156 20 0 DBADRM COC(=O)[C@@H]1[C@H](C[N-]S(=O)(=O)N=S(C)(C)=O)C1(F)F ZINC001475632411 1010043584 /nfs/dbraw/zinc/04/35/84/1010043584.db2.gz OMLNFSPJFLSUMP-WDSKDSINSA-N -1 0 320.339 -0.397 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2nnn(C)n2)c(F)c1 ZINC001475644148 1010043964 /nfs/dbraw/zinc/04/39/64/1010043964.db2.gz FFULUHFQDVAAHW-UHFFFAOYSA-N -1 0 315.286 -0.063 20 0 DBADRM CC[C@H](Cc1cn(C[C@@H](O)CN2CCOCC2)nn1)C(=O)[O-] ZINC001595220295 1017080620 /nfs/dbraw/zinc/08/06/20/1017080620.db2.gz XBMAJCOGHZDMBF-YPMHNXCESA-N -1 0 312.370 -0.376 20 0 DBADRM CC[C@](COC)(NS(=O)(=O)c1c(N)noc1C)C(=O)[O-] ZINC001595200361 1017081379 /nfs/dbraw/zinc/08/13/79/1017081379.db2.gz YKYZOJPOPIBXSY-SNVBAGLBSA-N -1 0 307.328 -0.277 20 0 DBADRM CCC[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccn1)S(N)(=O)=O ZINC001595535840 1017089047 /nfs/dbraw/zinc/08/90/47/1017089047.db2.gz ICQKNXOIQWFQMP-ZJUUUORDSA-N -1 0 315.351 -0.219 20 0 DBADRM CCCNC(=O)[C@H](C)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001475759033 1010059303 /nfs/dbraw/zinc/05/93/03/1010059303.db2.gz HYQFRLLDMWPIJB-VIFPVBQESA-N -1 0 311.429 -0.003 20 0 DBADRM CC[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@H]1CCCCO1 ZINC001595228088 1017081419 /nfs/dbraw/zinc/08/14/19/1017081419.db2.gz BVBQLRXXTDRIPF-LPEHRKFASA-N -1 0 304.318 -0.011 20 0 DBADRM COC(=O)[C@]1(C[N-]S(=O)(=O)N=S(C)(C)=O)CCOC1 ZINC001475803836 1010061279 /nfs/dbraw/zinc/06/12/79/1010061279.db2.gz WBGRPYJMPZISDE-VIFPVBQESA-N -1 0 314.385 -0.872 20 0 DBADRM CCC[C@H](C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])S(N)(=O)=O ZINC001595532448 1017089162 /nfs/dbraw/zinc/08/91/62/1017089162.db2.gz JUHWZJXPCZGEOC-VHSXEESVSA-N -1 0 324.399 -0.220 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC001476594793 1010072673 /nfs/dbraw/zinc/07/26/73/1010072673.db2.gz BXSOBJBABNQUTP-BDAKNGLRSA-N -1 0 316.387 -0.408 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001476594794 1010073078 /nfs/dbraw/zinc/07/30/78/1010073078.db2.gz BXSOBJBABNQUTP-DTWKUNHWSA-N -1 0 316.387 -0.408 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC001476594999 1010074930 /nfs/dbraw/zinc/07/49/30/1010074930.db2.gz JMYMZQREHUZLBA-ZLVALASMSA-N -1 0 300.388 -0.074 20 0 DBADRM CC[C@]1(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCNC1=O ZINC001595365392 1017083929 /nfs/dbraw/zinc/08/39/29/1017083929.db2.gz SFODMWDKUGNOCJ-OTYXRUKQSA-N -1 0 321.337 -0.334 20 0 DBADRM CC[C@H](OC)C(=O)NC[C@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001595354411 1017084046 /nfs/dbraw/zinc/08/40/46/1017084046.db2.gz WCWLEYLBEJZISO-UWVGGRQHSA-N -1 0 312.326 -0.511 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001595392451 1017084121 /nfs/dbraw/zinc/08/41/21/1017084121.db2.gz DHBFTKMTQDOMPF-QMTHXVAHSA-N -1 0 314.338 -0.938 20 0 DBADRM CC[C@]1(C)CCN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001595370960 1017084750 /nfs/dbraw/zinc/08/47/50/1017084750.db2.gz KSBCTUXTXCYQPW-FIXISWKDSA-N -1 0 312.366 -0.071 20 0 DBADRM CC[C@]1(C)NC(=O)N(NS(=O)(=O)CC(C)(C)C(=O)[O-])C1=O ZINC001595371453 1017084870 /nfs/dbraw/zinc/08/48/70/1017084870.db2.gz DYZIHHORVQLANL-NSHDSACASA-N -1 0 321.355 -0.348 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001595392449 1017084928 /nfs/dbraw/zinc/08/49/28/1017084928.db2.gz DHBFTKMTQDOMPF-HZMBPMFUSA-N -1 0 314.338 -0.938 20 0 DBADRM CC[C@@H]1CN([C@H](C)C(=O)NCC(=O)[O-])C[C@H](C)S1(=O)=O ZINC001595482210 1017086338 /nfs/dbraw/zinc/08/63/38/1017086338.db2.gz DBBWMHWMFSBGTA-IVZWLZJFSA-N -1 0 306.384 -0.527 20 0 DBADRM CC[C@H]1C(=O)NCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001595402273 1017086738 /nfs/dbraw/zinc/08/67/38/1017086738.db2.gz YCWZSESRNYYHBC-JTQLQIEISA-N -1 0 307.306 -0.717 20 0 DBADRM Cc1ccccc1CC(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001448950190 1010099734 /nfs/dbraw/zinc/09/97/34/1010099734.db2.gz YMFGLLGLIDWJLL-LBPRGKRZSA-N -1 0 319.365 -0.372 20 0 DBADRM CC[C@@H]1CN(CCC(=O)N(C)CC(=O)[O-])C[C@H](C)S1(=O)=O ZINC001595486258 1017087005 /nfs/dbraw/zinc/08/70/05/1017087005.db2.gz CFNXYGNKRTUZLU-WDEREUQCSA-N -1 0 320.411 -0.183 20 0 DBADRM CC[C@@H](C(=O)N[C@@](C)(CO)C(=O)[O-])N1CCO[C@H](CC)C1 ZINC001595484575 1017087225 /nfs/dbraw/zinc/08/72/25/1017087225.db2.gz SSFCCNZIOXIYCC-SUNKGSAMSA-N -1 0 302.371 -0.172 20 0 DBADRM CC[C@@H]1CN([C@H](C)C(=O)NCC(=O)[O-])C[C@@]2(CCOC2)O1 ZINC001595482510 1017087616 /nfs/dbraw/zinc/08/76/16/1017087616.db2.gz DWVCVJPUKKXRKL-JTNHKYCSSA-N -1 0 300.355 -0.154 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C[C@H](CC)O1 ZINC001595470140 1017087639 /nfs/dbraw/zinc/08/76/39/1017087639.db2.gz DUAMWVYMDULXHI-AEJSXWLSSA-N -1 0 304.318 -0.059 20 0 DBADRM CC[C@@H]1CN([C@H](C)C(=O)NCC(=O)[O-])C[C@@H](C)S1(=O)=O ZINC001595482215 1017088081 /nfs/dbraw/zinc/08/80/81/1017088081.db2.gz DBBWMHWMFSBGTA-OPRDCNLKSA-N -1 0 306.384 -0.527 20 0 DBADRM CC[C@@H]1CC(=O)N(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1 ZINC001595406839 1017088175 /nfs/dbraw/zinc/08/81/75/1017088175.db2.gz AQUAPLHCWYUORC-MNOVXSKESA-N -1 0 318.395 -0.224 20 0 DBADRM CC[C@H]1COCCN1CCNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001595501183 1017089459 /nfs/dbraw/zinc/08/94/59/1017089459.db2.gz XHJGVFAQSBIMPT-LBPRGKRZSA-N -1 0 310.354 -0.192 20 0 DBADRM CC[C@H](CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-])OC ZINC001595203591 1017080153 /nfs/dbraw/zinc/08/01/53/1017080153.db2.gz SXMRNAHBXLJBTQ-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1nnc(-c2ccccc2)[nH]1 ZINC001477969655 1010126963 /nfs/dbraw/zinc/12/69/63/1010126963.db2.gz RRCHEARPQSXLJL-UHFFFAOYSA-N -1 0 304.310 -0.052 20 0 DBADRM COC(=O)NCCNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001478633843 1010156369 /nfs/dbraw/zinc/15/63/69/1010156369.db2.gz YLBZAMTYJCTQJI-QMMMGPOBSA-N -1 0 312.330 -0.245 20 0 DBADRM COC(OC)[C@@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001449068018 1010197572 /nfs/dbraw/zinc/19/75/72/1010197572.db2.gz OTRVXMUBDVMFSG-MRVPVSSYSA-N -1 0 306.326 -0.188 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1ncnn1CCF ZINC001598491758 1017283811 /nfs/dbraw/zinc/28/38/11/1017283811.db2.gz UKNUICBVOOGWCR-NXEZZACHSA-N -1 0 313.333 -0.484 20 0 DBADRM CN(CCNC(=O)CCc1ncccn1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598491257 1017283888 /nfs/dbraw/zinc/28/38/88/1017283888.db2.gz VESPURFAFZALCH-WDEREUQCSA-N -1 0 320.349 -0.296 20 0 DBADRM CN(CCNC(=O)c1cc[n+]([O-])cc1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598492029 1017283934 /nfs/dbraw/zinc/28/39/34/1017283934.db2.gz CKRUDSCIUAEOQV-GHMZBOCLSA-N -1 0 307.306 -0.771 20 0 DBADRM CN(CCNC(=O)CCc1cncn1C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598490486 1017285651 /nfs/dbraw/zinc/28/56/51/1017285651.db2.gz KVOQDUFNMYDWLZ-RYUDHWBXSA-N -1 0 322.365 -0.352 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1ncnn1CCF ZINC001598491761 1017285796 /nfs/dbraw/zinc/28/57/96/1017285796.db2.gz UKNUICBVOOGWCR-ZJUUUORDSA-N -1 0 313.333 -0.484 20 0 DBADRM CN(CCNC(=O)CCc1cncn1C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598490485 1017286088 /nfs/dbraw/zinc/28/60/88/1017286088.db2.gz KVOQDUFNMYDWLZ-NWDGAFQWSA-N -1 0 322.365 -0.352 20 0 DBADRM CN(CCNC(=O)c1cnc[nH]c1=O)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598492567 1017288077 /nfs/dbraw/zinc/28/80/77/1017288077.db2.gz OYEMFVNKXXXVTJ-YUMQZZPRSA-N -1 0 308.294 -0.909 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H]1CCC(=O)N1C ZINC001598495265 1017288207 /nfs/dbraw/zinc/28/82/07/1017288207.db2.gz CKTIPXKRFXTESR-SNVBAGLBSA-N -1 0 321.337 -0.334 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)c1cc(C(=O)[O-])ccn1 ZINC001598494262 1017288649 /nfs/dbraw/zinc/28/86/49/1017288649.db2.gz QVJSEWFZWHYHHF-UHFFFAOYSA-N -1 0 301.324 -0.599 20 0 DBADRM CN(CCNC(=O)c1cnn2cc[nH]c12)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598493343 1017288767 /nfs/dbraw/zinc/28/87/67/1017288767.db2.gz XYDJYDDWLFQTBX-IUCAKERBSA-N -1 0 319.321 -0.429 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001598540302 1017296831 /nfs/dbraw/zinc/29/68/31/1017296831.db2.gz YVZPAIDJCYWQPM-VXGBXAGGSA-N -1 0 315.347 -0.094 20 0 DBADRM C[C@@H](NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)c1nnnn1C ZINC001479490782 1010295349 /nfs/dbraw/zinc/29/53/49/1010295349.db2.gz BMKRFNDYWLEKJC-HTQZYQBOSA-N -1 0 321.345 -0.316 20 0 DBADRM CN(CCNCc1nnc(C2CC2)[nH]1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598495531 1017290383 /nfs/dbraw/zinc/29/03/83/1017290383.db2.gz MROXIONFMAHWMZ-NXEZZACHSA-N -1 0 307.354 -0.049 20 0 DBADRM CN(CCO)CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001598496431 1017290537 /nfs/dbraw/zinc/29/05/37/1017290537.db2.gz IQVYOXUDTMXORJ-UHFFFAOYSA-N -1 0 320.342 -0.274 20 0 DBADRM CN(CCO)C(=O)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001598496378 1017290694 /nfs/dbraw/zinc/29/06/94/1017290694.db2.gz FENHCKBSTJKSMA-UHFFFAOYSA-N -1 0 306.318 -0.280 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)CCS(C)(=O)=O ZINC001598495586 1017291030 /nfs/dbraw/zinc/29/10/30/1017291030.db2.gz KHBOHEBYXFAROC-UHFFFAOYSA-N -1 0 302.356 -0.437 20 0 DBADRM CN(CCOCCNC(=O)c1cc[nH]c1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598497543 1017291230 /nfs/dbraw/zinc/29/12/30/1017291230.db2.gz HSECUZRIXRYMSG-NWDGAFQWSA-N -1 0 323.349 -0.060 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)CCc1c[nH]cn1 ZINC001598496184 1017291305 /nfs/dbraw/zinc/29/13/05/1017291305.db2.gz XWJKDYBLXQPGAG-UHFFFAOYSA-N -1 0 318.337 -0.177 20 0 DBADRM CN(CCNC(=O)c1ncn(C)n1)c1ncc(C(=O)[O-])cn1 ZINC001598495828 1017291688 /nfs/dbraw/zinc/29/16/88/1017291688.db2.gz RGHYXOIZQZNCNG-UHFFFAOYSA-N -1 0 305.298 -0.831 20 0 DBADRM CN(Cc1nc(C(=O)[O-])cs1)C[C@@H](O)CN1CCOCC1 ZINC001598536526 1017296944 /nfs/dbraw/zinc/29/69/44/1017296944.db2.gz GNQIRKLLTLCFEH-SNVBAGLBSA-N -1 0 315.395 -0.034 20 0 DBADRM CN(C[C@H]1C[C@@H](O)C1)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001598504427 1017292972 /nfs/dbraw/zinc/29/29/72/1017292972.db2.gz KXDFAQOKZQWNFN-AOOOYVTPSA-N -1 0 301.343 -0.620 20 0 DBADRM CN(C[C@H](O)CO)C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC001598503860 1017293109 /nfs/dbraw/zinc/29/31/09/1017293109.db2.gz YHCZVMBEKXUMRP-ZETCQYMHSA-N -1 0 318.355 -0.238 20 0 DBADRM CN(CN1C[C@H](C(=O)[O-])CC1=O)CC(C)(C)S(C)(=O)=O ZINC001598503383 1017293217 /nfs/dbraw/zinc/29/32/17/1017293217.db2.gz IBGYLHORNQEGKL-SECBINFHSA-N -1 0 306.384 -0.368 20 0 DBADRM CN(CN1C[C@@H](C(=O)[O-])CC1=O)CC(C)(C)S(C)(=O)=O ZINC001598503385 1017294147 /nfs/dbraw/zinc/29/41/47/1017294147.db2.gz IBGYLHORNQEGKL-VIFPVBQESA-N -1 0 306.384 -0.368 20 0 DBADRM CN(Cc1nc(C(=O)[O-])cs1)C[C@H](O)CN1CCOCC1 ZINC001598536523 1017295125 /nfs/dbraw/zinc/29/51/25/1017295125.db2.gz GNQIRKLLTLCFEH-JTQLQIEISA-N -1 0 315.395 -0.034 20 0 DBADRM CN(Cc1cnn(C)c1)CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001598534518 1017295389 /nfs/dbraw/zinc/29/53/89/1017295389.db2.gz OGMZGKWUYGXUEN-AWEZNQCLSA-N -1 0 323.353 -0.015 20 0 DBADRM CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001598539376 1017295504 /nfs/dbraw/zinc/29/55/04/1017295504.db2.gz GUMDYDPSZRWDQB-SFYZADRCSA-N -1 0 321.293 -0.992 20 0 DBADRM CN([C@H]1CC[C@H](O)CC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001598540148 1017295650 /nfs/dbraw/zinc/29/56/50/1017295650.db2.gz OZENDLXGFQGDCI-MGCOHNPYSA-N -1 0 317.367 -0.108 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)CN1CCOC[C@@H]1CC(=O)[O-] ZINC001598534092 1017296325 /nfs/dbraw/zinc/29/63/25/1017296325.db2.gz MWRGIXCZHQAGGU-LBPRGKRZSA-N -1 0 310.354 -0.446 20 0 DBADRM CCC(=O)NCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001479701349 1010344701 /nfs/dbraw/zinc/34/47/01/1010344701.db2.gz CUEOIOVLNURLRN-BDAKNGLRSA-N -1 0 310.358 -0.885 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)CC1CCC1 ZINC001449187293 1010351030 /nfs/dbraw/zinc/35/10/30/1010351030.db2.gz KOCHWAIRPPHVAF-NSHDSACASA-N -1 0 311.386 -0.048 20 0 DBADRM COc1cc(C(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)on1 ZINC001479766893 1010368559 /nfs/dbraw/zinc/36/85/59/1010368559.db2.gz IZAQYYMNMAXNGN-UHFFFAOYSA-N -1 0 310.314 -0.241 20 0 DBADRM Cc1cocc1C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001449216722 1010381398 /nfs/dbraw/zinc/38/13/98/1010381398.db2.gz RCOBAKYGAJKVDV-SNVBAGLBSA-N -1 0 323.353 -0.023 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)CC1(C)CC1 ZINC001449214731 1010382052 /nfs/dbraw/zinc/38/20/52/1010382052.db2.gz OMPWAZSXBUTVRV-JTQLQIEISA-N -1 0 311.386 -0.048 20 0 DBADRM CC(C)N(CCN(C)CCF)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001449273103 1010419029 /nfs/dbraw/zinc/41/90/29/1010419029.db2.gz OKNSWBDTFFSERU-UHFFFAOYSA-N -1 0 303.338 -0.172 20 0 DBADRM CCN(CCNC(=O)[C@H]1CC12CC2)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001449556762 1010506644 /nfs/dbraw/zinc/50/66/44/1010506644.db2.gz XILREJQFRMEFCT-MRVPVSSYSA-N -1 0 321.337 -0.339 20 0 DBADRM C[C@@H](NC(=O)C(C)(F)F)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001449560822 1010509692 /nfs/dbraw/zinc/50/96/92/1010509692.db2.gz OYYNFSBOTLDMNF-CRCLSJGQSA-N -1 0 319.268 -0.439 20 0 DBADRM CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])CCO2 ZINC001595522030 1017089528 /nfs/dbraw/zinc/08/95/28/1017089528.db2.gz JJCGYNXCYQPMED-MNOVXSKESA-N -1 0 310.350 -0.053 20 0 DBADRM CC[C@H]1COCCN1CCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001595500543 1017089963 /nfs/dbraw/zinc/08/99/63/1017089963.db2.gz OXXYXWJTQYUXKL-SDDRHHMPSA-N -1 0 300.355 -0.154 20 0 DBADRM CC[C@@H]1COCCN1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001595500499 1017090609 /nfs/dbraw/zinc/09/06/09/1017090609.db2.gz NNROUNIURDWQCG-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM CC[C@H]1COCCN1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001595500906 1017090772 /nfs/dbraw/zinc/09/07/72/1017090772.db2.gz VJWFSBQMOOIJKH-GUBZILKMSA-N -1 0 301.343 -0.215 20 0 DBADRM CCCC(=O)NCC(=O)N(C)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001595527511 1017090915 /nfs/dbraw/zinc/09/09/15/1017090915.db2.gz KUJQQULDTOGXLR-UWVGGRQHSA-N -1 0 313.354 -0.802 20 0 DBADRM CCC[C@H](CCO)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001595592297 1017091700 /nfs/dbraw/zinc/09/17/00/1017091700.db2.gz ZVCJAFRRKIBRPR-LPEHRKFASA-N -1 0 303.359 -0.186 20 0 DBADRM CCC[C@@](C)(CO)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001595541513 1017092030 /nfs/dbraw/zinc/09/20/30/1017092030.db2.gz LCDHOFXCSGNDGA-RVBZMBCESA-N -1 0 303.359 -0.186 20 0 DBADRM CCC[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccn(C)n1)S(N)(=O)=O ZINC001595536161 1017092257 /nfs/dbraw/zinc/09/22/57/1017092257.db2.gz QJENOMRWAMLGPJ-IUCAKERBSA-N -1 0 318.355 -0.881 20 0 DBADRM COC[C@]1(CO)CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001449747377 1010557521 /nfs/dbraw/zinc/55/75/21/1010557521.db2.gz NERBBYIJLJPVPZ-CQSZACIVSA-N -1 0 306.322 -0.506 20 0 DBADRM CCC[C@@H](O)[C@@H](CO)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001595609417 1017093182 /nfs/dbraw/zinc/09/31/82/1017093182.db2.gz VZZXGDPERVZRLJ-RKDXNWHRSA-N -1 0 316.310 -0.473 20 0 DBADRM CCCC[C@H](C(=O)[O-])S(=O)(=O)CC(=O)N1CCOCC1 ZINC001595629218 1017094568 /nfs/dbraw/zinc/09/45/68/1017094568.db2.gz DVLBXUNBTGMUQZ-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM CCCCC(=O)NC[C@@H](C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001449814938 1010570265 /nfs/dbraw/zinc/57/02/65/1010570265.db2.gz PHNTUGLJDBJLTP-SECBINFHSA-N -1 0 313.358 -0.157 20 0 DBADRM CCC[C@H]1C(=O)NCCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001595620034 1017095793 /nfs/dbraw/zinc/09/57/93/1017095793.db2.gz VAPBGNROACCJQK-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@H](CCC(=O)[O-])C(=O)OC ZINC001595638922 1017095845 /nfs/dbraw/zinc/09/58/45/1017095845.db2.gz JNBSNFUCTVCZFL-DTWKUNHWSA-N -1 0 317.342 -0.264 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001595787849 1017099854 /nfs/dbraw/zinc/09/98/54/1017099854.db2.gz SHJSEIFBGMWZDH-ZETCQYMHSA-N -1 0 316.326 -0.070 20 0 DBADRM CCCCNC(=O)NC(=O)CS(=O)(=O)[C@H](C)CC(=O)[O-] ZINC001595758820 1017097098 /nfs/dbraw/zinc/09/70/98/1017097098.db2.gz GCSRMKWMPJRHQE-MRVPVSSYSA-N -1 0 308.356 -0.110 20 0 DBADRM CCCCCN(CCO)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001595715746 1017098397 /nfs/dbraw/zinc/09/83/97/1017098397.db2.gz BLESCTIDEVBMDQ-NSHDSACASA-N -1 0 316.354 -0.691 20 0 DBADRM O=C(Cc1nc[nH]n1)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001480267607 1010599340 /nfs/dbraw/zinc/59/93/40/1010599340.db2.gz OYUFGQOOBLFGFQ-VIFPVBQESA-N -1 0 320.357 -0.801 20 0 DBADRM CN1C(=O)C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])[C@@H]1c1cccnc1 ZINC001598548562 1017297960 /nfs/dbraw/zinc/29/79/60/1017297960.db2.gz DOGZIEWGLNEDFV-NHCYSSNCSA-N -1 0 307.306 -0.837 20 0 DBADRM CN1C(=O)CN(CC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1=O ZINC001598550824 1017298275 /nfs/dbraw/zinc/29/82/75/1017298275.db2.gz AQVKAGQWILXEAE-XPTSAGLGSA-N -1 0 309.322 -0.406 20 0 DBADRM Cn1cc(NC(=O)N[C@H]2CCC(=O)N(C)C2=O)cc1C(=O)[O-] ZINC001598549301 1017298441 /nfs/dbraw/zinc/29/84/41/1017298441.db2.gz NVMRTHMNCTUQIX-QMMMGPOBSA-N -1 0 308.294 -0.008 20 0 DBADRM CN1C(=O)CN(CC(=O)OCC(=O)C(C)(C)C(=O)[O-])C1=O ZINC001598550845 1017298808 /nfs/dbraw/zinc/29/88/08/1017298808.db2.gz BRNRDUBHFBFHNT-UHFFFAOYSA-N -1 0 300.267 -0.897 20 0 DBADRM CN1C(=O)C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])[C@H]1c1cccnc1 ZINC001598548560 1017298845 /nfs/dbraw/zinc/29/88/45/1017298845.db2.gz DOGZIEWGLNEDFV-JBLDHEPKSA-N -1 0 307.306 -0.837 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)Cc2cc(C3CC3)no2)CC1=O ZINC001598565581 1017309757 /nfs/dbraw/zinc/30/97/57/1017309757.db2.gz XOUVYFNZLHCFMF-LLVKDONJSA-N -1 0 307.306 -0.152 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN([C@@H]3CCN(C)C3=O)CC2)c1[O-] ZINC001480349993 1010616886 /nfs/dbraw/zinc/61/68/86/1010616886.db2.gz PGVWHPYTYWVRRA-SNVBAGLBSA-N -1 0 307.354 -0.588 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1C[C@H]1C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001450033068 1010617951 /nfs/dbraw/zinc/61/79/51/1010617951.db2.gz DVXUQCTZESWRCT-IWSPIJDZSA-N -1 0 311.342 -0.692 20 0 DBADRM CN1C(=O)CN(C(=O)CCCn2ccc(C(=O)[O-])n2)CC1=O ZINC001598551619 1017299901 /nfs/dbraw/zinc/29/99/01/1017299901.db2.gz HCIGYRGIYTYGHX-UHFFFAOYSA-N -1 0 308.294 -0.811 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)c3cccc(C(=O)[O-])n3)C[C@H]2C1=O ZINC001598556500 1017299928 /nfs/dbraw/zinc/29/99/28/1017299928.db2.gz JHIUKOWPADSVTF-OCAPTIKFSA-N -1 0 303.274 -0.533 20 0 DBADRM CC[C@H](F)C(=O)N(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001450030650 1010618560 /nfs/dbraw/zinc/61/85/60/1010618560.db2.gz ZAZIZZHNTJPPSD-BQBZGAKWSA-N -1 0 315.305 -0.392 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])C1=O ZINC001598551147 1017300757 /nfs/dbraw/zinc/30/07/57/1017300757.db2.gz MSBNKBAIXHNQAD-IUCAKERBSA-N -1 0 313.310 -0.981 20 0 DBADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])C1=O ZINC001598555406 1017301215 /nfs/dbraw/zinc/30/12/15/1017301215.db2.gz LVURPRGFPDHXLM-DRNSDYETSA-N -1 0 323.349 -0.066 20 0 DBADRM CN1C(=O)CN(CC(=O)Nc2nc3n(c2C(=O)[O-])CCC3)C1=O ZINC001598551566 1017301553 /nfs/dbraw/zinc/30/15/53/1017301553.db2.gz TVGYZNSOUGVOIH-UHFFFAOYSA-N -1 0 321.293 -0.640 20 0 DBADRM CN1CC(=O)N(CC(=O)OCc2cccc(C(=O)[O-])n2)C1=O ZINC001598558932 1017302713 /nfs/dbraw/zinc/30/27/13/1017302713.db2.gz OIUMAZBVDSBTPO-UHFFFAOYSA-N -1 0 307.262 -0.283 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cnc3[nH]ccc3c2)CC1=O ZINC001598561443 1017302877 /nfs/dbraw/zinc/30/28/77/1017302877.db2.gz AMKCNIFSBIUBTC-JTQLQIEISA-N -1 0 302.290 -0.118 20 0 DBADRM CN1C[C@H](C(=O)NC[C@@H](O)CC(=O)[O-])c2ccccc2C1=O ZINC001598558760 1017303699 /nfs/dbraw/zinc/30/36/99/1017303699.db2.gz DVLNJAAKEZVIBN-CABZTGNLSA-N -1 0 306.318 -0.192 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1=O ZINC001598559435 1017303712 /nfs/dbraw/zinc/30/37/12/1017303712.db2.gz WOTLVFMLEIICRO-RGOKHQFPSA-N -1 0 309.322 -0.504 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])CC1=O ZINC001598559400 1017303779 /nfs/dbraw/zinc/30/37/79/1017303779.db2.gz JAMRSZAEOTZOLM-RYUDHWBXSA-N -1 0 305.334 -0.081 20 0 DBADRM CCn1ncnc1CN[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001480448570 1010643854 /nfs/dbraw/zinc/64/38/54/1010643854.db2.gz QHVBDHUFCAUEJM-MRVPVSSYSA-N -1 0 307.358 -0.057 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCc3nccn3C2)CC1=O ZINC001598564072 1017308725 /nfs/dbraw/zinc/30/87/25/1017308725.db2.gz WMSVXVBCTHLYAN-NXEZZACHSA-N -1 0 306.322 -0.801 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc3cccnc3n2)CC1=O ZINC001598564239 1017308753 /nfs/dbraw/zinc/30/87/53/1017308753.db2.gz YXYWPUWFTXYVBL-LLVKDONJSA-N -1 0 314.301 -0.003 20 0 DBADRM CN1C(=O)CN(CC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])C1=O ZINC001598550898 1017297501 /nfs/dbraw/zinc/29/75/01/1017297501.db2.gz DPZRMDKKFQNTQM-SBMIAAHKSA-N -1 0 309.322 -0.408 20 0 DBADRM CN1C(=O)CC[C@H](NS(=O)(=O)c2occc2C(=O)[O-])C1=O ZINC001598550182 1017297518 /nfs/dbraw/zinc/29/75/18/1017297518.db2.gz ZTWFSLMYXNIUCX-ZETCQYMHSA-N -1 0 316.291 -0.597 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001598550407 1017297757 /nfs/dbraw/zinc/29/77/57/1017297757.db2.gz CZMBGFLCOKXXRL-JTQLQIEISA-N -1 0 309.322 -0.171 20 0 DBADRM COCCC(=O)N1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001450432065 1010726203 /nfs/dbraw/zinc/72/62/03/1010726203.db2.gz SEXVJWXNAXZOOS-UHFFFAOYSA-N -1 0 320.305 -0.095 20 0 DBADRM O=C(NC[C@H]1CCCS(=O)(=O)C1)c1c[n-]n2c1nccc2=O ZINC001450644543 1010778533 /nfs/dbraw/zinc/77/85/33/1010778533.db2.gz GTWIDCWSGBADAC-SECBINFHSA-N -1 0 324.362 -0.423 20 0 DBADRM O=C(CCCc1nnn[n-]1)NC[C@H]1CCCS(=O)(=O)C1 ZINC001450647008 1010779330 /nfs/dbraw/zinc/77/93/30/1010779330.db2.gz MJILISDKRIZUCO-SECBINFHSA-N -1 0 301.372 -0.537 20 0 DBADRM CC(C)(C)C(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001450716953 1010790674 /nfs/dbraw/zinc/79/06/74/1010790674.db2.gz UGJRHEDBKQVBOY-UHFFFAOYSA-N -1 0 311.342 -0.690 20 0 DBADRM CO[C@@H](C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1)[C@H]1CCOC1 ZINC001480896980 1010797304 /nfs/dbraw/zinc/79/73/04/1010797304.db2.gz ZBDFJZRBFNSKFX-GXSJLCMTSA-N -1 0 313.358 -0.890 20 0 DBADRM CO[C@H](C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1)[C@@H]1CCOC1 ZINC001480896983 1010797813 /nfs/dbraw/zinc/79/78/13/1010797813.db2.gz ZBDFJZRBFNSKFX-KOLCDFICSA-N -1 0 313.358 -0.890 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](CNC(=O)C1CC1)C1CC1 ZINC001450864941 1010809127 /nfs/dbraw/zinc/80/91/27/1010809127.db2.gz SRBLWNOHWBAZJC-SNVBAGLBSA-N -1 0 323.353 -0.548 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)c1cnnn1C ZINC001450889126 1010812482 /nfs/dbraw/zinc/81/24/82/1010812482.db2.gz FALGWVCZQKBZLX-QMMMGPOBSA-N -1 0 321.341 -0.509 20 0 DBADRM CCN(CCNC(=O)c1cc2n(n1)CCO2)Cc1n[nH]c(=O)[n-]1 ZINC001480980159 1010819786 /nfs/dbraw/zinc/81/97/86/1010819786.db2.gz CEEHIELYTPMFJC-UHFFFAOYSA-N -1 0 321.341 -0.649 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1cnn(C)c1 ZINC001480986516 1010822183 /nfs/dbraw/zinc/82/21/83/1010822183.db2.gz YMMYMVTVYZVJQP-UHFFFAOYSA-N -1 0 321.341 -0.732 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ccns1 ZINC001480986532 1010823009 /nfs/dbraw/zinc/82/30/09/1010823009.db2.gz ZCQMDNVUVSQMTI-UHFFFAOYSA-N -1 0 324.366 -0.009 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@]12CCOC2)Cc1n[nH]c(=O)[n-]1 ZINC001481011376 1010826514 /nfs/dbraw/zinc/82/65/14/1010826514.db2.gz YTSIHYBPEFQHCS-QMTHXVAHSA-N -1 0 309.370 -0.125 20 0 DBADRM CC(C)(C(N)=O)C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001481044540 1010832571 /nfs/dbraw/zinc/83/25/71/1010832571.db2.gz QXUDJORDFUORLA-MRVPVSSYSA-N -1 0 310.358 -0.898 20 0 DBADRM O=C(CCc1c[nH]cn1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481096545 1010841177 /nfs/dbraw/zinc/84/11/77/1010841177.db2.gz SNQGTQGGVRLLHS-JTQLQIEISA-N -1 0 319.369 -0.196 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CC(=O)NCC(C)C)C2)c1[O-] ZINC001481554392 1010907860 /nfs/dbraw/zinc/90/78/60/1010907860.db2.gz QYVKFCWTVBTHOS-UHFFFAOYSA-N -1 0 309.370 -0.390 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)C1CC(C)C1 ZINC001451534703 1010986946 /nfs/dbraw/zinc/98/69/46/1010986946.db2.gz IYMRONCZIZUNAE-MGURRDGZSA-N -1 0 323.353 -0.189 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC001451537104 1010987418 /nfs/dbraw/zinc/98/74/18/1010987418.db2.gz KDUPEAIUSUEXHF-UHFFFAOYSA-N -1 0 313.383 -0.298 20 0 DBADRM CCC(=O)NCC(=O)N(CC)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481760982 1010993902 /nfs/dbraw/zinc/99/39/02/1010993902.db2.gz GECVIACASIEITO-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM CC(=O)N[C@H]1C[C@@H](C)N(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001451661752 1011022086 /nfs/dbraw/zinc/02/20/86/1011022086.db2.gz BQLVMOYRTRJGBE-SCZZXKLOSA-N -1 0 311.342 -0.405 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCN(C(=O)C2CC2)C1 ZINC001451709731 1011027120 /nfs/dbraw/zinc/02/71/20/1011027120.db2.gz JCSOVUOJMBNSCD-UHFFFAOYSA-N -1 0 316.321 -0.891 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001451818413 1011047740 /nfs/dbraw/zinc/04/77/40/1011047740.db2.gz KQTPTLXGSVECOL-LLVKDONJSA-N -1 0 315.337 -0.575 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001451818433 1011048395 /nfs/dbraw/zinc/04/83/95/1011048395.db2.gz KQTPTLXGSVECOL-NSHDSACASA-N -1 0 315.337 -0.575 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)CCC(F)F)c1[O-] ZINC001452310017 1011184727 /nfs/dbraw/zinc/18/47/27/1011184727.db2.gz MCBLDTJJBXBTME-SSDOTTSWSA-N -1 0 320.296 -0.324 20 0 DBADRM Cc1cncn1CC(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001482614036 1011224369 /nfs/dbraw/zinc/22/43/69/1011224369.db2.gz RPZZAMSXVNQSAO-UHFFFAOYSA-N -1 0 307.358 -0.394 20 0 DBADRM COC[C@@H](OC)C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001482627862 1011236819 /nfs/dbraw/zinc/23/68/19/1011236819.db2.gz VHUVSLPQTWSELF-SECBINFHSA-N -1 0 301.347 -0.938 20 0 DBADRM O=C(NCCC1(CNC(=O)C2CC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001452573842 1011302743 /nfs/dbraw/zinc/30/27/43/1011302743.db2.gz FZFCWCYPSYTDRS-UHFFFAOYSA-N -1 0 321.337 -0.291 20 0 DBADRM CCOC(=O)CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001452644443 1011331003 /nfs/dbraw/zinc/33/10/03/1011331003.db2.gz JERDTAIAFJUTMB-UHFFFAOYSA-N -1 0 300.315 -0.121 20 0 DBADRM CCC[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001452766732 1011393208 /nfs/dbraw/zinc/39/32/08/1011393208.db2.gz VXQPGSJQYSVWPQ-YUMQZZPRSA-N -1 0 311.342 -0.047 20 0 DBADRM CN1C[C@H](NC(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)CC1=O ZINC001598567514 1017310600 /nfs/dbraw/zinc/31/06/00/1017310600.db2.gz HFEWKZUNLDQWLI-BDAKNGLRSA-N -1 0 321.337 -0.054 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)cc1C(=O)[O-] ZINC001598567667 1017311157 /nfs/dbraw/zinc/31/11/57/1017311157.db2.gz JGXSQMOIAWHDKT-QMMMGPOBSA-N -1 0 308.294 -0.991 20 0 DBADRM CN1CC(N2CCN(C(=O)c3ccc(C(=O)[O-])cn3)CC2)C1 ZINC001598567525 1017311282 /nfs/dbraw/zinc/31/12/82/1017311282.db2.gz HRCGADLNZWNYAW-UHFFFAOYSA-N -1 0 304.350 -0.148 20 0 DBADRM CN1CC(N2CCN(C(=O)c3ccc(C(=O)[O-])n3C)CC2)C1 ZINC001598567536 1017311406 /nfs/dbraw/zinc/31/14/06/1017311406.db2.gz HYLZNAQKQHSCNB-UHFFFAOYSA-N -1 0 306.366 -0.205 20 0 DBADRM CN1C[C@H](OC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CCC1=O ZINC001598571181 1017312835 /nfs/dbraw/zinc/31/28/35/1017312835.db2.gz BCXIDKWQQNQBJW-NXEZZACHSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1C[C@H](n2nnnc2N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CCC1=O ZINC001598571720 1017314498 /nfs/dbraw/zinc/31/44/98/1017314498.db2.gz AVIBMPKTNPITSN-REIXXSIJSA-N -1 0 306.326 -0.767 20 0 DBADRM CN1CC2(CN(S(=O)(=O)CC3(C(=O)[O-])CC3)C2)OC1=O ZINC001598571969 1017314550 /nfs/dbraw/zinc/31/45/50/1017314550.db2.gz GEUMSLLXWVVVDY-UHFFFAOYSA-N -1 0 304.324 -0.683 20 0 DBADRM C[N@@H+]1C[C@@H]2CC[C@@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])no3)[C@@H]2C1 ZINC001598575925 1017315021 /nfs/dbraw/zinc/31/50/21/1017315021.db2.gz SDPKKCKIQQBXTQ-DJLDLDEBSA-N -1 0 315.351 -0.009 20 0 DBADRM CN1CC[C@](C)(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C1=O ZINC001598577454 1017315340 /nfs/dbraw/zinc/31/53/40/1017315340.db2.gz FLPKICXOEPPJTO-UONOGXRCSA-N -1 0 309.322 -0.313 20 0 DBADRM CC(=O)NCC(=O)NC[C@H]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001452902994 1011457834 /nfs/dbraw/zinc/45/78/34/1011457834.db2.gz VMHQYJOQXQOHBG-AOOOYVTPSA-N -1 0 323.353 -0.816 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001453230909 1011568079 /nfs/dbraw/zinc/56/80/79/1011568079.db2.gz LVBYWIVEJGGNCU-HTQZYQBOSA-N -1 0 315.305 -0.846 20 0 DBADRM Cn1ccc(=O)c(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)c1 ZINC001483034369 1011628142 /nfs/dbraw/zinc/62/81/42/1011628142.db2.gz FRTXEDNKIJYOJG-IHWYPQMZSA-N -1 0 318.337 -0.715 20 0 DBADRM C[C@H]1C[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)c2ncnn21 ZINC001453365481 1011639838 /nfs/dbraw/zinc/63/98/38/1011639838.db2.gz JIFAIZMAHXHAOX-YUMQZZPRSA-N -1 0 307.314 -0.117 20 0 DBADRM Cn1ncc(CCC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)n1 ZINC001483060956 1011658896 /nfs/dbraw/zinc/65/88/96/1011658896.db2.gz QRTSEJCOAGQPEI-NSCUHMNNSA-N -1 0 320.357 -0.966 20 0 DBADRM Cc1ncoc1CNC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001483086911 1011671854 /nfs/dbraw/zinc/67/18/54/1011671854.db2.gz JAAVDFJTEBEPEW-NSCUHMNNSA-N -1 0 322.325 -0.552 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)[N-]N2CCOC2=O)c(Cl)o1 ZINC001453473052 1011689236 /nfs/dbraw/zinc/68/92/36/1011689236.db2.gz AJKBGTSTYMWGQG-UHFFFAOYSA-N -1 0 309.687 -0.323 20 0 DBADRM O=C(CC1CC1)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001453502683 1011709910 /nfs/dbraw/zinc/70/99/10/1011709910.db2.gz HTKOBCUIYQAMME-UHFFFAOYSA-N -1 0 309.326 -0.746 20 0 DBADRM C[C@]1(CO)C[C@@H](O)CN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001453750917 1011809276 /nfs/dbraw/zinc/80/92/76/1011809276.db2.gz VVLISXIZXTVWOB-XLKFXECMSA-N -1 0 320.305 -0.606 20 0 DBADRM CC(=O)N1CC[C@@](C)(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001453872215 1011827688 /nfs/dbraw/zinc/82/76/88/1011827688.db2.gz VESWJSWAJQXBLQ-CYBMUJFWSA-N -1 0 309.326 -0.658 20 0 DBADRM Cc1conc1CNC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001483288304 1011828254 /nfs/dbraw/zinc/82/82/54/1011828254.db2.gz WNQJBLYQPHAXAQ-QMMMGPOBSA-N -1 0 310.314 -0.720 20 0 DBADRM CC(=O)N1CC[C@@](C)(CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001453887818 1011829186 /nfs/dbraw/zinc/82/91/86/1011829186.db2.gz HYWRJNSEBHUQCM-AWEZNQCLSA-N -1 0 323.353 -0.410 20 0 DBADRM CCCC(=O)N1CC[C@@](C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001453895699 1011831204 /nfs/dbraw/zinc/83/12/04/1011831204.db2.gz VEHYQXZRZOXRAE-CYBMUJFWSA-N -1 0 311.342 -0.403 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001453985655 1011845144 /nfs/dbraw/zinc/84/51/44/1011845144.db2.gz FWDHZVYALYNPJA-VHSXEESVSA-N -1 0 322.365 -0.137 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(N2CCOC2=O)CC1 ZINC001454022186 1011848539 /nfs/dbraw/zinc/84/85/39/1011848539.db2.gz VUXFZVBHRLJLTN-UHFFFAOYSA-N -1 0 311.298 -0.868 20 0 DBADRM COC(=O)Cc1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001454107039 1011867291 /nfs/dbraw/zinc/86/72/91/1011867291.db2.gz SNKAOQAUEZIFAW-UHFFFAOYSA-N -1 0 320.305 -0.279 20 0 DBADRM CCC(=O)NC[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001454098051 1011867655 /nfs/dbraw/zinc/86/76/55/1011867655.db2.gz BIISMOQPBUDXMS-JTQLQIEISA-N -1 0 308.338 -0.480 20 0 DBADRM O=C(CCC1CC1)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001454318790 1011919771 /nfs/dbraw/zinc/91/97/71/1011919771.db2.gz GKXCKEFNTKUGLI-KYZUINATSA-N -1 0 321.337 -0.150 20 0 DBADRM O=C(N[C@H](CO)Cc1cncs1)c1c[n-]n2c1nccc2=O ZINC001454313923 1011921869 /nfs/dbraw/zinc/92/18/69/1011921869.db2.gz ZACFUADNRZZAEG-QMMMGPOBSA-N -1 0 319.346 -0.188 20 0 DBADRM CC(C)[C@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001454344253 1011934627 /nfs/dbraw/zinc/93/46/27/1011934627.db2.gz ISNDYBPUFKVFSX-CIUDSAMLSA-N -1 0 323.353 -0.048 20 0 DBADRM CCCN(C(=O)NCCOCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001595823519 1017100826 /nfs/dbraw/zinc/10/08/26/1017100826.db2.gz ZOQRDILOFUUAIG-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001595787558 1017101044 /nfs/dbraw/zinc/10/10/44/1017101044.db2.gz OEABCKSINCJWIA-JTQLQIEISA-N -1 0 322.383 -0.592 20 0 DBADRM CCCN(C)S(=O)(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001595839020 1017101745 /nfs/dbraw/zinc/10/17/45/1017101745.db2.gz DIOMAHIQLHORNT-VIFPVBQESA-N -1 0 310.372 -0.231 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001595787204 1017102026 /nfs/dbraw/zinc/10/20/26/1017102026.db2.gz GUWMVSAZFLIHEP-GFCCVEGCSA-N -1 0 322.383 -0.687 20 0 DBADRM CCCN(CC1CC1)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001595870506 1017103345 /nfs/dbraw/zinc/10/33/45/1017103345.db2.gz NJBZZGKGLGTGNF-VXGBXAGGSA-N -1 0 312.366 -0.071 20 0 DBADRM CCCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])CC(=O)N1CCC1 ZINC001595880430 1017103579 /nfs/dbraw/zinc/10/35/79/1017103579.db2.gz WAZWNKGBVZNVEY-RYUDHWBXSA-N -1 0 311.382 -0.232 20 0 DBADRM CCCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001454478334 1011999081 /nfs/dbraw/zinc/99/90/81/1011999081.db2.gz YXOFVYZMSKYUFO-QMSLJYSESA-N -1 0 307.310 -0.731 20 0 DBADRM CCCN(CC(N)=O)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001595864114 1017103821 /nfs/dbraw/zinc/10/38/21/1017103821.db2.gz OSXPAKQPXSCDIS-UHFFFAOYSA-N -1 0 301.324 -0.334 20 0 DBADRM CCCN(CCNC(=O)c1nnc[nH]1)c1ncc(C(=O)[O-])cn1 ZINC001595882624 1017103837 /nfs/dbraw/zinc/10/38/37/1017103837.db2.gz JXYWMCQUXIBCHJ-UHFFFAOYSA-N -1 0 319.325 -0.061 20 0 DBADRM CCCN(CCO)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC001595883351 1017104153 /nfs/dbraw/zinc/10/41/53/1017104153.db2.gz WVGOPOWNNWEGBO-QMTHXVAHSA-N -1 0 300.355 -0.214 20 0 DBADRM CCCN(CCNC(=O)Cn1cncn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001595882969 1017104160 /nfs/dbraw/zinc/10/41/60/1017104160.db2.gz PMMPTHUFEMSRDU-GHMZBOCLSA-N -1 0 323.353 -0.646 20 0 DBADRM CCCN(CC(=O)OC)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001595860536 1017104250 /nfs/dbraw/zinc/10/42/50/1017104250.db2.gz PHZDILYYWOXUJE-UHFFFAOYSA-N -1 0 310.306 -0.042 20 0 DBADRM CN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)CC(F)(F)F ZINC001595887116 1017104303 /nfs/dbraw/zinc/10/43/03/1017104303.db2.gz WEOFRCQVKSBVJH-UHFFFAOYSA-N -1 0 311.264 -0.310 20 0 DBADRM CCCN(CCNC(=O)CNC(C)=O)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001595882361 1017104347 /nfs/dbraw/zinc/10/43/47/1017104347.db2.gz HKZAAZQINIYPMR-GHMZBOCLSA-N -1 0 313.354 -0.802 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])CC(=O)N1CCC1 ZINC001595880428 1017104352 /nfs/dbraw/zinc/10/43/52/1017104352.db2.gz WAZWNKGBVZNVEY-NEPJUHHUSA-N -1 0 311.382 -0.232 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)Cn1nccn1 ZINC001595879132 1017104407 /nfs/dbraw/zinc/10/44/07/1017104407.db2.gz KNNTYNLVDIDWBH-MNOVXSKESA-N -1 0 323.353 -0.646 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)Cn1nccn1 ZINC001595879131 1017104826 /nfs/dbraw/zinc/10/48/26/1017104826.db2.gz KNNTYNLVDIDWBH-GHMZBOCLSA-N -1 0 323.353 -0.646 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1nnnn1C ZINC001595882933 1017104869 /nfs/dbraw/zinc/10/48/69/1017104869.db2.gz OWDGDBXIBFFMLX-NXEZZACHSA-N -1 0 310.358 -0.741 20 0 DBADRM O=C(C[C@H]1CCC(=O)NC1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001483654907 1012018411 /nfs/dbraw/zinc/01/84/11/1012018411.db2.gz IXMCPTKBCIVXFL-ZJUUUORDSA-N -1 0 322.369 -0.883 20 0 DBADRM CCCNC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595921298 1017106434 /nfs/dbraw/zinc/10/64/34/1017106434.db2.gz BGFJWTZSSZLAPL-UHFFFAOYSA-N -1 0 308.294 -0.639 20 0 DBADRM O=C(C[C@@H]1CCC(=O)NC1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001483654906 1012021696 /nfs/dbraw/zinc/02/16/96/1012021696.db2.gz IXMCPTKBCIVXFL-VHSXEESVSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C([C@H]1CCCn2ncnc21)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454553948 1012031328 /nfs/dbraw/zinc/03/13/28/1012031328.db2.gz NICHNYJNXDPYNL-DTWKUNHWSA-N -1 0 304.314 -0.731 20 0 DBADRM O=C(c1nccn2ccnc12)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454551870 1012031739 /nfs/dbraw/zinc/03/17/39/1012031739.db2.gz BQKPFSXMONPYAT-MRVPVSSYSA-N -1 0 300.282 -0.544 20 0 DBADRM O=C(c1cnc2[nH]cnc2c1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454551910 1012032835 /nfs/dbraw/zinc/03/28/35/1012032835.db2.gz CLCURDVKCKLNIC-SECBINFHSA-N -1 0 300.282 -0.315 20 0 DBADRM CCCN1C[C@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CC1=O ZINC001595896195 1017108085 /nfs/dbraw/zinc/10/80/85/1017108085.db2.gz KHTWZFOTZWERJV-KOLCDFICSA-N -1 0 308.338 -0.220 20 0 DBADRM O=C(c1ccc2nonc2c1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454553957 1012034000 /nfs/dbraw/zinc/03/40/00/1012034000.db2.gz NPZHCDZESMWCNQ-JTQLQIEISA-N -1 0 301.266 -0.050 20 0 DBADRM CCCNC(=O)NC(=O)CN1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC001595926235 1017108385 /nfs/dbraw/zinc/10/83/85/1017108385.db2.gz YJWFYSVGTCDDRN-UWVGGRQHSA-N -1 0 301.343 -0.214 20 0 DBADRM O=C(c1cnn2cccnc12)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454555637 1012036480 /nfs/dbraw/zinc/03/64/80/1012036480.db2.gz QVWCZAXPSHCUOO-SECBINFHSA-N -1 0 300.282 -0.544 20 0 DBADRM O=C(c1cc(F)cc2n[nH]nc21)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454555249 1012037719 /nfs/dbraw/zinc/03/77/19/1012037719.db2.gz SYKOXYMVUSVCSV-VIFPVBQESA-N -1 0 318.272 -0.176 20 0 DBADRM Cc1sc(=O)n(CC(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1C ZINC001454555519 1012038124 /nfs/dbraw/zinc/03/81/24/1012038124.db2.gz MAKHGUSDWUPGHT-SECBINFHSA-N -1 0 324.366 -0.360 20 0 DBADRM O=C([C@H]1CCn2ccnc2C1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454554683 1012038549 /nfs/dbraw/zinc/03/85/49/1012038549.db2.gz QTOAGTDTOSLIKP-UWVGGRQHSA-N -1 0 303.326 -0.441 20 0 DBADRM COC(=O)c1cccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)n1 ZINC001454554600 1012039390 /nfs/dbraw/zinc/03/93/90/1012039390.db2.gz HCHURBDPLDKFCM-SNVBAGLBSA-N -1 0 318.293 -0.405 20 0 DBADRM O=C(CCn1ccccc1=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454556483 1012039584 /nfs/dbraw/zinc/03/95/84/1012039584.db2.gz WEKNOQZEFOXLSU-SNVBAGLBSA-N -1 0 304.310 -0.648 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1Cc1ccccn1 ZINC001483697133 1012062489 /nfs/dbraw/zinc/06/24/89/1012062489.db2.gz ORTPGHGNFPHBAD-LLVKDONJSA-N -1 0 318.337 -0.525 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC[C@H](O)C(F)F ZINC001454613645 1012066679 /nfs/dbraw/zinc/06/66/79/1012066679.db2.gz CODCFCDYAYTJHT-ZETCQYMHSA-N -1 0 301.253 -0.797 20 0 DBADRM CC(=O)N1CC[C@@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001454797648 1012129841 /nfs/dbraw/zinc/12/98/41/1012129841.db2.gz XBSVSUZWKSCMPV-VIFPVBQESA-N -1 0 309.326 -0.800 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)[C@H]1C[C@]12CCOC2 ZINC001483782537 1012137534 /nfs/dbraw/zinc/13/75/34/1012137534.db2.gz KFVJTDFYCWUVGD-RNCFNFMXSA-N -1 0 307.354 -0.325 20 0 DBADRM CC(=O)NC[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001454853481 1012149639 /nfs/dbraw/zinc/14/96/39/1012149639.db2.gz AZTDXMDZKPLGQO-JTQLQIEISA-N -1 0 311.342 -0.546 20 0 DBADRM CC(=O)NC[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001454853484 1012150116 /nfs/dbraw/zinc/15/01/16/1012150116.db2.gz AZTDXMDZKPLGQO-SNVBAGLBSA-N -1 0 311.342 -0.546 20 0 DBADRM CCC(=O)NC[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001454874179 1012153175 /nfs/dbraw/zinc/15/31/75/1012153175.db2.gz ZCOJMTPNRXGKCJ-VIFPVBQESA-N -1 0 323.353 -0.410 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001454894484 1012156125 /nfs/dbraw/zinc/15/61/25/1012156125.db2.gz OREJJNMZTHTKAQ-AEJSXWLSSA-N -1 0 323.353 -0.690 20 0 DBADRM COC(=O)C[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001455096323 1012217718 /nfs/dbraw/zinc/21/77/18/1012217718.db2.gz AXUHPRLIDQEKQL-SSDOTTSWSA-N -1 0 316.335 -0.279 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cccc2c1NC(=O)CO2 ZINC001455104819 1012219079 /nfs/dbraw/zinc/21/90/79/1012219079.db2.gz GKUOXTPDHZWQOE-UHFFFAOYSA-N -1 0 305.250 -0.341 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NCC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001455122769 1012225158 /nfs/dbraw/zinc/22/51/58/1012225158.db2.gz OOWACUGQMXQDGL-IWSPIJDZSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@]1(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CCN(CCF)C1 ZINC001484051579 1012278149 /nfs/dbraw/zinc/27/81/49/1012278149.db2.gz UWMFZIDJGALMCA-ZDUSSCGKSA-N -1 0 313.333 -0.235 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2ncn(C)n2)c1[O-] ZINC001455228757 1012289698 /nfs/dbraw/zinc/28/96/98/1012289698.db2.gz GHBPIZGPJWXTLA-UHFFFAOYSA-N -1 0 307.314 -0.946 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCc2ncccn2)c1 ZINC001455442397 1012405033 /nfs/dbraw/zinc/40/50/33/1012405033.db2.gz WENGCCMLESSEKV-UHFFFAOYSA-N -1 0 308.319 -0.240 20 0 DBADRM CC(C)[C@@H](C)C(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001455482066 1012415496 /nfs/dbraw/zinc/41/54/96/1012415496.db2.gz UBJJDMYXQFOHLD-SNVBAGLBSA-N -1 0 324.381 -0.034 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001455509291 1012424911 /nfs/dbraw/zinc/42/49/11/1012424911.db2.gz LJCOGKSNAJSPIV-DTWKUNHWSA-N -1 0 311.342 -0.690 20 0 DBADRM CCN(CCNC(=O)c1cnnn1C)C(=O)c1n[nH]c(C)c1[O-] ZINC001455562949 1012444483 /nfs/dbraw/zinc/44/44/83/1012444483.db2.gz GIRQMVGWIWHGIB-UHFFFAOYSA-N -1 0 321.341 -0.556 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC(CO)(CO)C1 ZINC001455623814 1012462739 /nfs/dbraw/zinc/46/27/39/1012462739.db2.gz VUXRLFFSLIRWAO-QMMMGPOBSA-N -1 0 312.288 -0.497 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3nccn3C)C2)c1[O-] ZINC001484266884 1012489667 /nfs/dbraw/zinc/48/96/67/1012489667.db2.gz AATLSGBEBNTTGW-UHFFFAOYSA-N -1 0 320.353 -0.866 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@@H](COC)c2nnn[n-]2)n1 ZINC001455726883 1012492949 /nfs/dbraw/zinc/49/29/49/1012492949.db2.gz DUYDMPQLQGQPPA-VIFPVBQESA-N -1 0 305.298 -0.928 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(CO)cc1OC)c1nnn[n-]1 ZINC001455725681 1012493373 /nfs/dbraw/zinc/49/33/73/1012493373.db2.gz AYPSTOBJHIEWOB-SNVBAGLBSA-N -1 0 307.310 -0.182 20 0 DBADRM COC[C@@H](NC(=O)C1=NN(CC(C)C)C(=O)CC1)c1nnn[n-]1 ZINC001455727871 1012493767 /nfs/dbraw/zinc/49/37/67/1012493767.db2.gz GIXOVCVYFLMSBX-SNVBAGLBSA-N -1 0 323.357 -0.362 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N[C@@H](COC)c1nnn[n-]1)C(C)=O ZINC001455729524 1012494471 /nfs/dbraw/zinc/49/44/71/1012494471.db2.gz MLBZZUBSTOSBHI-IUCAKERBSA-N -1 0 313.314 -0.838 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@]12C[C@@H]1CCCC2 ZINC001484294027 1012538386 /nfs/dbraw/zinc/53/83/86/1012538386.db2.gz JVHSMUBNETWYKN-BONVTDFDSA-N -1 0 321.381 -0.247 20 0 DBADRM Cc1c(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)ccn1C ZINC001484293969 1012540153 /nfs/dbraw/zinc/54/01/53/1012540153.db2.gz ITKBESJCOVTMHL-UHFFFAOYSA-N -1 0 320.353 -0.866 20 0 DBADRM CC(C)[C@@]1(C)C[C@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484303938 1012555116 /nfs/dbraw/zinc/55/51/16/1012555116.db2.gz RTVSWGZUSWSAIV-IINYFYTJSA-N -1 0 323.397 -0.145 20 0 DBADRM O=C(CCCC1CC1)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001456366953 1012678230 /nfs/dbraw/zinc/67/82/30/1012678230.db2.gz IIYVCXMLARADJA-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CCC(=O)N1CC(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001456529797 1012748960 /nfs/dbraw/zinc/74/89/60/1012748960.db2.gz KMFNSZJTLSDISN-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM COCCCN1CCOC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001484594119 1012793593 /nfs/dbraw/zinc/79/35/93/1012793593.db2.gz QDSZMWDEUIBFLC-LLVKDONJSA-N -1 0 312.370 -0.109 20 0 DBADRM CC(=O)N1CC(C(=O)N(C)CCCN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001484741540 1012846018 /nfs/dbraw/zinc/84/60/18/1012846018.db2.gz YCAIHRRZALDHEQ-UHFFFAOYSA-N -1 0 324.385 -0.731 20 0 DBADRM O=C(Nc1cnc2c(c1)CNC2=O)c1c[n-]n2c1nccc2=O ZINC001457056107 1012847327 /nfs/dbraw/zinc/84/73/27/1012847327.db2.gz MUKBKQLKSZDQSZ-UHFFFAOYSA-N -1 0 310.273 -0.087 20 0 DBADRM C[C@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)CNC(=O)C1CC1 ZINC001457258959 1012860941 /nfs/dbraw/zinc/86/09/41/1012860941.db2.gz ZZCSGLYXGUHINQ-MRVPVSSYSA-N -1 0 323.353 -0.506 20 0 DBADRM C[C@H]1CCCN(C(=O)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001457315419 1012872378 /nfs/dbraw/zinc/87/23/78/1012872378.db2.gz YEYNVTDQJQJECO-VIFPVBQESA-N -1 0 311.342 -0.546 20 0 DBADRM CCC(=O)NCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1 ZINC001484969224 1012916730 /nfs/dbraw/zinc/91/67/30/1012916730.db2.gz VKBHPNSUCLQBKO-ZJUUUORDSA-N -1 0 324.385 -0.494 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC001484969957 1012920646 /nfs/dbraw/zinc/92/06/46/1012920646.db2.gz OFKLQZXRESOCTM-WPRPVWTQSA-N -1 0 310.358 -0.885 20 0 DBADRM O=C(NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cc[nH]c1 ZINC001485019985 1012950857 /nfs/dbraw/zinc/95/08/57/1012950857.db2.gz ARKQHFZACJFHBF-UHFFFAOYSA-N -1 0 320.353 -0.405 20 0 DBADRM CCCNC(=O)NC(=O)CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001595926619 1017110249 /nfs/dbraw/zinc/11/02/49/1017110249.db2.gz RJFQUPURCFJGDD-NSHDSACASA-N -1 0 301.343 -0.620 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001595979824 1017110619 /nfs/dbraw/zinc/11/06/19/1017110619.db2.gz AEVQEBFJDRENRJ-LBPRGKRZSA-N -1 0 307.368 -0.049 20 0 DBADRM CCCc1nc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])co1 ZINC001596074683 1017112832 /nfs/dbraw/zinc/11/28/32/1017112832.db2.gz IFCDMUSBAGNTJH-VIFPVBQESA-N -1 0 316.335 -0.049 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001595980283 1017113450 /nfs/dbraw/zinc/11/34/50/1017113450.db2.gz NZVXRHMZDDIKGJ-NSHDSACASA-N -1 0 320.411 -0.181 20 0 DBADRM CCN(C)C(=O)CNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001596183213 1017117231 /nfs/dbraw/zinc/11/72/31/1017117231.db2.gz HQJAFCRBVNVQCQ-VIFPVBQESA-N -1 0 324.341 -0.589 20 0 DBADRM CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001596181636 1017118070 /nfs/dbraw/zinc/11/80/70/1017118070.db2.gz UNQVOXMGPCEKNW-ZETCQYMHSA-N -1 0 318.355 -0.439 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001596180679 1017118204 /nfs/dbraw/zinc/11/82/04/1017118204.db2.gz FPAJDHURQUBBOW-SECBINFHSA-N -1 0 316.358 -0.867 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001596184176 1017118223 /nfs/dbraw/zinc/11/82/23/1017118223.db2.gz URHOEFQRWBYZHO-JTQLQIEISA-N -1 0 313.354 -0.802 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001596212915 1017119592 /nfs/dbraw/zinc/11/95/92/1017119592.db2.gz VWIYVLSLVSJPLQ-VXGBXAGGSA-N -1 0 307.306 -0.110 20 0 DBADRM CCN(CC(=O)[O-])CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC001596222117 1017119822 /nfs/dbraw/zinc/11/98/22/1017119822.db2.gz HIXKKEVVDMINGS-UHFFFAOYSA-N -1 0 323.349 -0.427 20 0 DBADRM CCN([C@H]1CCNC1=O)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001596196693 1017121158 /nfs/dbraw/zinc/12/11/58/1017121158.db2.gz KUJQVCXIUYCPLT-VIFPVBQESA-N -1 0 315.351 -0.378 20 0 DBADRM CCN(CC)CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001596260293 1017122723 /nfs/dbraw/zinc/12/27/23/1017122723.db2.gz PIIYAHHMIIESFA-JOYOIKCWSA-N -1 0 306.384 -0.668 20 0 DBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)CC(=O)[O-])CC1 ZINC001596283620 1017122846 /nfs/dbraw/zinc/12/28/46/1017122846.db2.gz OFKDQUGYWDWBEM-UHFFFAOYSA-N -1 0 307.372 -0.808 20 0 DBADRM CCN(CC)S(=O)(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001596283648 1017124116 /nfs/dbraw/zinc/12/41/16/1017124116.db2.gz QPYDBZANNXFCGH-JTQLQIEISA-N -1 0 323.415 -0.222 20 0 DBADRM CCN(C[C@@H](O)C(F)(F)F)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001596237031 1017124175 /nfs/dbraw/zinc/12/41/75/1017124175.db2.gz HIBJZYKNQYIMMU-SSDOTTSWSA-N -1 0 322.305 -0.117 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1ncn(C)n1 ZINC001596327178 1017126543 /nfs/dbraw/zinc/12/65/43/1017126543.db2.gz SJOYMDAUARYJGH-NXEZZACHSA-N -1 0 323.353 -0.496 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)CN(C)C(C)=O ZINC001596333350 1017128385 /nfs/dbraw/zinc/12/83/85/1017128385.db2.gz QLANLNUNPPDBBN-WDEREUQCSA-N -1 0 313.354 -0.850 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1cnnn1CC ZINC001596333389 1017129561 /nfs/dbraw/zinc/12/95/61/1017129561.db2.gz QYMCYRSSFWESAE-VXGBXAGGSA-N -1 0 309.370 -0.043 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1n[nH]cc1F ZINC001596333995 1017130556 /nfs/dbraw/zinc/13/05/56/1017130556.db2.gz YERFTRFRXMHSNK-YUMQZZPRSA-N -1 0 312.301 -0.152 20 0 DBADRM CCN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1cnn(C)n1 ZINC001596339718 1017130670 /nfs/dbraw/zinc/13/06/70/1017130670.db2.gz OVUJLOPWCZZWCJ-UHFFFAOYSA-N -1 0 319.325 -0.701 20 0 DBADRM CCN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1cncn1C ZINC001596338977 1017130973 /nfs/dbraw/zinc/13/09/73/1017130973.db2.gz AJFGBJDGEYAVJQ-UHFFFAOYSA-N -1 0 318.337 -0.096 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1n[nH]nc1C ZINC001596333837 1017131382 /nfs/dbraw/zinc/13/13/82/1017131382.db2.gz WLFTZNNKVWEBIX-DTWKUNHWSA-N -1 0 309.326 -0.588 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1n[nH]cc1F ZINC001596333994 1017131982 /nfs/dbraw/zinc/13/19/82/1017131982.db2.gz YERFTRFRXMHSNK-SFYZADRCSA-N -1 0 312.301 -0.152 20 0 DBADRM CCN(CCNc1ccnc(C(=O)[O-])n1)C(=O)[C@H]1CCC(=O)N1 ZINC001596339865 1017132142 /nfs/dbraw/zinc/13/21/42/1017132142.db2.gz QRVIFMSWEKCXIO-SECBINFHSA-N -1 0 321.337 -0.864 20 0 DBADRM CCN(CCNC(=O)c1cn(C)nn1)c1ccnc(C(=O)[O-])n1 ZINC001596335073 1017132250 /nfs/dbraw/zinc/13/22/50/1017132250.db2.gz IPLDTFHJNLWKCC-UHFFFAOYSA-N -1 0 319.325 -0.440 20 0 DBADRM CCN(CCNC(=O)Cc1cnoc1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596334370 1017132389 /nfs/dbraw/zinc/13/23/89/1017132389.db2.gz FWOZEOHOMRPCKF-WDEREUQCSA-N -1 0 309.322 -0.098 20 0 DBADRM CCN(CCSC)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001596347262 1017133390 /nfs/dbraw/zinc/13/33/90/1017133390.db2.gz NUIOUJPAYZRBAD-VHSXEESVSA-N -1 0 318.395 -0.508 20 0 DBADRM CCN1C(=O)[C@@H]2CN(c3ncncc3C(=O)[O-])CCN2C1=O ZINC001596390319 1017133633 /nfs/dbraw/zinc/13/36/33/1017133633.db2.gz SHPRDKZKCDVNRL-VIFPVBQESA-N -1 0 305.294 -0.353 20 0 DBADRM CCN(CCOCCO)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001596345456 1017133674 /nfs/dbraw/zinc/13/36/74/1017133674.db2.gz KNBMSRAFGOCOAZ-GHMZBOCLSA-N -1 0 304.343 -0.484 20 0 DBADRM CCN1C(=O)[C@H]2CN(c3ncncc3C(=O)[O-])CCN2C1=O ZINC001596390318 1017134597 /nfs/dbraw/zinc/13/45/97/1017134597.db2.gz SHPRDKZKCDVNRL-SECBINFHSA-N -1 0 305.294 -0.353 20 0 DBADRM CCN1C[C@@H](CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1=O ZINC001596397419 1017135997 /nfs/dbraw/zinc/13/59/97/1017135997.db2.gz HFHQGMKNBMBPJG-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM CCN1C[C@@H](COC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1=O ZINC001596397684 1017136040 /nfs/dbraw/zinc/13/60/40/1017136040.db2.gz LLYJGFZFTWICTO-JTQLQIEISA-N -1 0 322.317 -0.042 20 0 DBADRM CCN1C[C@@H](CNC(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])CC1=O ZINC001596398074 1017136182 /nfs/dbraw/zinc/13/61/82/1017136182.db2.gz SCUBCBRAMISNSX-SCVCMEIPSA-N -1 0 313.354 -0.356 20 0 DBADRM CCN1C[C@@H](C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CC1=O ZINC001596394980 1017137072 /nfs/dbraw/zinc/13/70/72/1017137072.db2.gz QJMZQFLHSXYCFH-LKFCYVNXSA-N -1 0 309.322 -0.313 20 0 DBADRM CCN1C[C@@H](CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1=O ZINC001596397418 1017137244 /nfs/dbraw/zinc/13/72/44/1017137244.db2.gz HFHQGMKNBMBPJG-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM CCN1C[C@H](C(=O)N(CCC(=O)[O-])CC(OC)OC)CC1=O ZINC001596394825 1017137316 /nfs/dbraw/zinc/13/73/16/1017137316.db2.gz NSZSRLXSWUIPFW-SNVBAGLBSA-N -1 0 316.354 -0.223 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2CCSC[C@H]2C(=O)[O-])CC1=O ZINC001596403224 1017139291 /nfs/dbraw/zinc/13/92/91/1017139291.db2.gz WXZIZWWODKDLGG-IUCAKERBSA-N -1 0 322.408 -0.561 20 0 DBADRM CCN1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001596415822 1017140209 /nfs/dbraw/zinc/14/02/09/1017140209.db2.gz VDZZWUDCMDDRPH-IJLUTSLNSA-N -1 0 311.382 -0.234 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])CC1=O ZINC001596403122 1017140747 /nfs/dbraw/zinc/14/07/47/1017140747.db2.gz UZXSFNZZLDNTLT-NKWVEPMBSA-N -1 0 314.310 -0.365 20 0 DBADRM CCN1CCC[C@H](NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1=O ZINC001596418659 1017142466 /nfs/dbraw/zinc/14/24/66/1017142466.db2.gz SEUCAYLNDFTBQK-AXFHLTTASA-N -1 0 313.354 -0.526 20 0 DBADRM CCN1CCO[C@@H](C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])C1 ZINC001596442321 1017146653 /nfs/dbraw/zinc/14/66/53/1017146653.db2.gz HZWFSSDVYGDSES-GHMZBOCLSA-N -1 0 316.354 -0.570 20 0 DBADRM CCNC(=O)CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001596456520 1017148777 /nfs/dbraw/zinc/14/87/77/1017148777.db2.gz RWFSXPQUPCMOTK-VIFPVBQESA-N -1 0 301.343 -0.756 20 0 DBADRM CCNC(=O)CC(=O)NC/C=C/CNc1ccnc(C(=O)[O-])n1 ZINC001596456276 1017149634 /nfs/dbraw/zinc/14/96/34/1017149634.db2.gz IXJOMIMRYYWQIL-ONEGZZNKSA-N -1 0 321.337 -0.793 20 0 DBADRM CCNC(=O)CC(=O)N(C)CCN(C)c1ccnc(C(=O)[O-])n1 ZINC001596456473 1017150080 /nfs/dbraw/zinc/15/00/80/1017150080.db2.gz QFYWZMZIAZXQRW-UHFFFAOYSA-N -1 0 323.353 -0.404 20 0 DBADRM CCNC(=O)NCCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001596470829 1017152143 /nfs/dbraw/zinc/15/21/43/1017152143.db2.gz KFMXCULTOJUJGB-UHFFFAOYSA-N -1 0 322.368 -0.561 20 0 DBADRM CCNC(=O)CNC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001596462107 1017152336 /nfs/dbraw/zinc/15/23/36/1017152336.db2.gz SDFNZQAIEMHUJC-MRVPVSSYSA-N -1 0 309.326 -0.149 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001596485630 1017152645 /nfs/dbraw/zinc/15/26/45/1017152645.db2.gz QGMIPPNMESDFLF-RNJXMRFFSA-N -1 0 302.283 -0.604 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001596510490 1017154404 /nfs/dbraw/zinc/15/44/04/1017154404.db2.gz OPUANSKEHGORAR-DTWKUNHWSA-N -1 0 315.322 -0.092 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N[C@@](C)(COC)C(=O)[O-])C(C)=O ZINC001596526237 1017155549 /nfs/dbraw/zinc/15/55/49/1017155549.db2.gz LQDVLSHZMJQJSU-ZANVPECISA-N -1 0 303.311 -0.249 20 0 DBADRM CCNc1ncc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])s1 ZINC001596507852 1017155661 /nfs/dbraw/zinc/15/56/61/1017155661.db2.gz TVUQIJCEKXFKPM-SSDOTTSWSA-N -1 0 312.351 -0.010 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)NC2CC(C(=O)[O-])C2)CCO1 ZINC001596581178 1017160738 /nfs/dbraw/zinc/16/07/38/1017160738.db2.gz ULKUMFMXFSYUEK-RTBKNWGFSA-N -1 0 300.311 -0.177 20 0 DBADRM CCOC(=O)[C@@H]1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001596577311 1017161217 /nfs/dbraw/zinc/16/12/17/1017161217.db2.gz WTUJPOCNPXXCNO-SNVBAGLBSA-N -1 0 322.317 -0.042 20 0 DBADRM CCOC(=O)C[C@H](O)CN1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001596595873 1017162330 /nfs/dbraw/zinc/16/23/30/1017162330.db2.gz WGKMDNHCZXIAMN-DCAQKATOSA-N -1 0 317.338 -0.361 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)NC[C@H](Cc1ccncc1)C(=O)[O-] ZINC001596595566 1017162450 /nfs/dbraw/zinc/16/24/50/1017162450.db2.gz UPYOIOHKMRZYIA-NWDGAFQWSA-N -1 0 324.333 -0.245 20 0 DBADRM CCOC(=O)CC1(NC(=O)Cn2cc(C(=O)[O-])cn2)COC1 ZINC001596594984 1017162465 /nfs/dbraw/zinc/16/24/65/1017162465.db2.gz ZYPCYLGBWIEMSR-UHFFFAOYSA-N -1 0 311.294 -0.580 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001596616164 1017163611 /nfs/dbraw/zinc/16/36/11/1017163611.db2.gz QSHOITCAJJCZPI-MRVPVSSYSA-N -1 0 308.281 -0.198 20 0 DBADRM CCOC(=O)NCCCC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001596662443 1017164929 /nfs/dbraw/zinc/16/49/29/1017164929.db2.gz FYHAYQFCNJVRMZ-UWVGGRQHSA-N -1 0 302.327 -0.193 20 0 DBADRM CCOC(=O)NCCCC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001596662442 1017165762 /nfs/dbraw/zinc/16/57/62/1017165762.db2.gz FYHAYQFCNJVRMZ-NXEZZACHSA-N -1 0 302.327 -0.193 20 0 DBADRM CCO[C@@H](C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)C1CC1 ZINC001596762478 1017167708 /nfs/dbraw/zinc/16/77/08/1017167708.db2.gz UNVJZUBVYUNIFK-OPQQBVKSSA-N -1 0 319.379 -0.194 20 0 DBADRM CCOC(=O)NCCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001596662869 1017167884 /nfs/dbraw/zinc/16/78/84/1017167884.db2.gz LEPURJBWFQHYJH-VIFPVBQESA-N -1 0 315.326 -0.686 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC001596679747 1017168615 /nfs/dbraw/zinc/16/86/15/1017168615.db2.gz KNWDIYBPVHYHOV-ZJUUUORDSA-N -1 0 322.383 -0.041 20 0 DBADRM CCOC(=O)c1nc([C@@H](C)NC(=O)COCC(=O)[O-])n[n-]1 ZINC001596749722 1017168897 /nfs/dbraw/zinc/16/88/97/1017168897.db2.gz ZVTHHMOHJZARKX-ZCFIWIBFSA-N -1 0 300.271 -0.740 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@@H]1OC ZINC001596814394 1017170358 /nfs/dbraw/zinc/17/03/58/1017170358.db2.gz XUWPPXFAFICPMI-MFDAYCCISA-N -1 0 314.338 -0.726 20 0 DBADRM CCOC1(CS(=O)(=O)NC[C@H](F)C(=O)[O-])CCOCC1 ZINC001596796792 1017171535 /nfs/dbraw/zinc/17/15/35/1017171535.db2.gz NMODVEFJUFEFLE-VIFPVBQESA-N -1 0 313.347 -0.086 20 0 DBADRM CCO[C@H](C)C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001596772602 1017171552 /nfs/dbraw/zinc/17/15/52/1017171552.db2.gz OBDQTVHORDJIMZ-SECBINFHSA-N -1 0 307.368 -0.050 20 0 DBADRM CCO[C@H](CS(=O)(=O)N(CC(=O)[O-])CC(=O)OC)C1CC1 ZINC001596791708 1017171615 /nfs/dbraw/zinc/17/16/15/1017171615.db2.gz KCCBDLQWLXFQNM-SNVBAGLBSA-N -1 0 323.367 -0.309 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1CC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001596854538 1017172860 /nfs/dbraw/zinc/17/28/60/1017172860.db2.gz DRKDGGOAUXKOHS-WISYIIOYSA-N -1 0 301.339 -0.136 20 0 DBADRM CCOCC(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1OC ZINC001596861397 1017173115 /nfs/dbraw/zinc/17/31/15/1017173115.db2.gz MKPFIMLMBPNOEF-GHMZBOCLSA-N -1 0 324.337 -0.469 20 0 DBADRM CCO[C@H]1C[C@@](NC(=O)[C@H]2COC(=O)N2)(C(=O)[O-])C1(C)C ZINC001596826434 1017173674 /nfs/dbraw/zinc/17/36/74/1017173674.db2.gz ABJPOXVVEXHLSJ-BFHDXFOESA-N -1 0 300.311 -0.131 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CN(C)CC(=O)NC(C)C ZINC001596871998 1017174093 /nfs/dbraw/zinc/17/40/93/1017174093.db2.gz BZGHLFYFWPYODR-LLVKDONJSA-N -1 0 317.386 -0.609 20 0 DBADRM CCO/C=C\C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001596861120 1017174353 /nfs/dbraw/zinc/17/43/53/1017174353.db2.gz CLJAYEASCWHFQT-HIYAPSCVSA-N -1 0 311.294 -0.858 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001596878592 1017175682 /nfs/dbraw/zinc/17/56/82/1017175682.db2.gz HULNCMDBKWGYPM-JTQLQIEISA-N -1 0 323.305 -0.026 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)/C=C\CN1CCOCC1 ZINC001596872151 1017176756 /nfs/dbraw/zinc/17/67/56/1017176756.db2.gz DPEHXMSTXKAZKP-RXNFCKPNSA-N -1 0 300.355 -0.177 20 0 DBADRM CCOCCN1CC(CCO)(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001596929219 1017178038 /nfs/dbraw/zinc/17/80/38/1017178038.db2.gz SUWMIFKKKJUFQT-QWRGUYRKSA-N -1 0 300.355 -0.703 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001596888957 1017178057 /nfs/dbraw/zinc/17/80/57/1017178057.db2.gz DFAQTEAAHZLMPM-HBNTYKKESA-N -1 0 309.384 -0.244 20 0 DBADRM CCOCCNC(=O)CN1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001596929364 1017178528 /nfs/dbraw/zinc/17/85/28/1017178528.db2.gz CDVVQSVEQVMISA-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM CCOCCn1nnnc1N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001596945610 1017180610 /nfs/dbraw/zinc/18/06/10/1017180610.db2.gz LIUJIAGOHBPTBC-UHFFFAOYSA-N -1 0 324.341 -0.091 20 0 DBADRM CCOCCOCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001596935050 1017181162 /nfs/dbraw/zinc/18/11/62/1017181162.db2.gz HMAWDKGHOYMYNY-JTQLQIEISA-N -1 0 323.367 -0.860 20 0 DBADRM CCOCCOC[C@H](O)CNC(=O)c1cc(C(=O)[O-])no1 ZINC001596933962 1017181199 /nfs/dbraw/zinc/18/11/99/1017181199.db2.gz FJEOERPMCSFNLD-MRVPVSSYSA-N -1 0 302.283 -0.483 20 0 DBADRM CCOCCNC(=O)CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001596929504 1017181393 /nfs/dbraw/zinc/18/13/93/1017181393.db2.gz KQAVHSCLYQJLQA-CYBMUJFWSA-N -1 0 315.326 -0.686 20 0 DBADRM CCOCCNC(=O)CN1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001596929366 1017181417 /nfs/dbraw/zinc/18/14/17/1017181417.db2.gz CDVVQSVEQVMISA-WDEREUQCSA-N -1 0 316.354 -0.523 20 0 DBADRM CCOCCO[C@H](C)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001596932412 1017182041 /nfs/dbraw/zinc/18/20/41/1017182041.db2.gz XDGZSQNFRVUMKU-SECBINFHSA-N -1 0 300.315 -0.466 20 0 DBADRM CCON(C)C(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001596957765 1017184101 /nfs/dbraw/zinc/18/41/01/1017184101.db2.gz BEVRYARGKGWWGZ-TVQRCGJNSA-N -1 0 300.311 -0.654 20 0 DBADRM CCOc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001596997883 1017184670 /nfs/dbraw/zinc/18/46/70/1017184670.db2.gz KMVRXSJFFCASKL-DTWKUNHWSA-N -1 0 322.321 -0.530 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001596980453 1017184750 /nfs/dbraw/zinc/18/47/50/1017184750.db2.gz CYXQYTPYWZKXSK-BREBYQMCSA-N -1 0 302.327 -0.325 20 0 DBADRM CCOc1ccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])cc1 ZINC001597112781 1017186269 /nfs/dbraw/zinc/18/62/69/1017186269.db2.gz XEJLQZBHVOEUGW-JTQLQIEISA-N -1 0 310.306 -0.024 20 0 DBADRM CCOc1cnc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cn1 ZINC001597185593 1017187022 /nfs/dbraw/zinc/18/70/22/1017187022.db2.gz BPJBSLUSXWYPOD-SECBINFHSA-N -1 0 308.294 -0.709 20 0 DBADRM CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2nc(=O)o[n-]2)CCCO1 ZINC001597159039 1017187073 /nfs/dbraw/zinc/18/70/73/1017187073.db2.gz IKEXODFLBFRATE-ZDUSSCGKSA-N -1 0 313.310 -0.130 20 0 DBADRM CCS(=O)(=O)CCN(C)[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001597209504 1017188513 /nfs/dbraw/zinc/18/85/13/1017188513.db2.gz IWHDNOMSFQEOGK-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM CCS(=O)(=O)C1CCN(Cn2cc(C(=O)[O-])nn2)CC1 ZINC001597203289 1017188970 /nfs/dbraw/zinc/18/89/70/1017188970.db2.gz KAKDVPHGDBNKCS-UHFFFAOYSA-N -1 0 302.356 -0.167 20 0 DBADRM CCS(=O)(=O)CCCCCN1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001597209408 1017189259 /nfs/dbraw/zinc/18/92/59/1017189259.db2.gz CHLWPKCKWMPSRP-LLVKDONJSA-N -1 0 320.411 -0.181 20 0 DBADRM CCS(=O)(=O)CCCNC(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001597209838 1017189746 /nfs/dbraw/zinc/18/97/46/1017189746.db2.gz OUAAZVBJWFKADI-LBPRGKRZSA-N -1 0 322.383 -0.304 20 0 DBADRM CCS(=O)(=O)CCN(C)[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001597209506 1017189659 /nfs/dbraw/zinc/18/96/59/1017189659.db2.gz IWHDNOMSFQEOGK-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC(C(N)=O)C1 ZINC001597778149 1017206019 /nfs/dbraw/zinc/20/60/19/1017206019.db2.gz PNBOPEDLBHWWDO-UHFFFAOYSA-N -1 0 302.308 -0.354 20 0 DBADRM CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001597308216 1017196595 /nfs/dbraw/zinc/19/65/95/1017196595.db2.gz WZOUIMDKTTWTNL-CHWFTXMASA-N -1 0 314.338 -0.629 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001597250275 1017196615 /nfs/dbraw/zinc/19/66/15/1017196615.db2.gz QAQCSMUVQSTVMS-YUNKPMOVSA-N -1 0 304.368 -0.806 20 0 DBADRM CCc1cc(C(=O)[O-])c(NC(=O)C(=O)NCCC(N)=O)s1 ZINC001597437224 1017198267 /nfs/dbraw/zinc/19/82/67/1017198267.db2.gz AWBRKUFYSPPCKC-UHFFFAOYSA-N -1 0 313.335 -0.061 20 0 DBADRM CCc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])n(C)n1 ZINC001597428175 1017198943 /nfs/dbraw/zinc/19/89/43/1017198943.db2.gz VTBXWNTVFCVWHF-JTQLQIEISA-N -1 0 315.351 -0.694 20 0 DBADRM CCc1cc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)no1 ZINC001597431671 1017199270 /nfs/dbraw/zinc/19/92/70/1017199270.db2.gz SMTWIIKHYZBXFO-UHFFFAOYSA-N -1 0 305.294 -0.011 20 0 DBADRM CCc1c(C(=O)OCC(=O)NCCC(=O)[O-])cnc2ncnn21 ZINC001597414797 1017199405 /nfs/dbraw/zinc/19/94/05/1017199405.db2.gz KKRIHRKEDZUYHB-UHFFFAOYSA-N -1 0 321.293 -0.566 20 0 DBADRM CCc1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1S(C)(=O)=O ZINC001597500412 1017200590 /nfs/dbraw/zinc/20/05/90/1017200590.db2.gz LWTSUJSDBPWWLS-JTQLQIEISA-N -1 0 315.347 -0.172 20 0 DBADRM CCc1cc(NC(=O)C(=O)N[C@]2(CC(=O)[O-])CCOC2)nn1C ZINC001597477910 1017201557 /nfs/dbraw/zinc/20/15/57/1017201557.db2.gz QEURWMRAYBPIQQ-AWEZNQCLSA-N -1 0 324.337 -0.329 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)nn1C ZINC001597477818 1017202100 /nfs/dbraw/zinc/20/21/00/1017202100.db2.gz MNOMGPYMIAZJEV-UHFFFAOYSA-N -1 0 306.322 -0.003 20 0 DBADRM CCc1nc(CN2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)no1 ZINC001597666936 1017202314 /nfs/dbraw/zinc/20/23/14/1017202314.db2.gz FJTBGFNWCQDGPH-UWVGGRQHSA-N -1 0 308.338 -0.099 20 0 DBADRM CCc1nncn1CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001597735837 1017205185 /nfs/dbraw/zinc/20/51/85/1017205185.db2.gz KOFYQKPFKHRODI-VHSXEESVSA-N -1 0 323.353 -0.722 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CO)C(=O)OC ZINC001597785743 1017205545 /nfs/dbraw/zinc/20/55/45/1017205545.db2.gz RFZVFJHTMMDQPE-LURJTMIESA-N -1 0 321.307 -0.648 20 0 DBADRM CCc1nn(CN2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c(=O)n1CC ZINC001597723604 1017205774 /nfs/dbraw/zinc/20/57/74/1017205774.db2.gz OEHQRXZBVHLMFL-AWEZNQCLSA-N -1 0 323.353 -0.110 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N(CCO)CCCO ZINC001597778921 1017206183 /nfs/dbraw/zinc/20/61/83/1017206183.db2.gz YCEAEFSGNGBWFS-UHFFFAOYSA-N -1 0 321.351 -0.094 20 0 DBADRM CCn1c(CS(C)(=O)=O)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001597853112 1017207943 /nfs/dbraw/zinc/20/79/43/1017207943.db2.gz AEBFATKVJPHGCC-NSHDSACASA-N -1 0 320.346 -0.154 20 0 DBADRM CCn1c(CCO)nnc1N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001597850700 1017207967 /nfs/dbraw/zinc/20/79/67/1017207967.db2.gz RFUFMFYYLJQRCL-IINYFYTJSA-N -1 0 310.354 -0.240 20 0 DBADRM CCn1cc(C(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cn1 ZINC001597870984 1017208163 /nfs/dbraw/zinc/20/81/63/1017208163.db2.gz VDJJIOHXVIZQGU-LBPRGKRZSA-N -1 0 309.322 -0.230 20 0 DBADRM CCn1cc(C(=O)C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])cn1 ZINC001597871067 1017208649 /nfs/dbraw/zinc/20/86/49/1017208649.db2.gz YMXRFEWGMOFRSV-SNVBAGLBSA-N -1 0 305.294 -0.448 20 0 DBADRM CCn1c(-c2cn(C)nn2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001597827465 1017209143 /nfs/dbraw/zinc/20/91/43/1017209143.db2.gz OSBWBWOVDJGOTF-VIFPVBQESA-N -1 0 307.314 -0.617 20 0 DBADRM CCn1c(N2CC[C@H](C(=O)[O-])C2)nnc1[C@@]1(C)CNC(=O)C1 ZINC001597859854 1017209479 /nfs/dbraw/zinc/20/94/79/1017209479.db2.gz ZGTJRLPUSPFCBN-LKFCYVNXSA-N -1 0 307.354 -0.014 20 0 DBADRM CCn1cc(CC(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)cn1 ZINC001597881214 1017211063 /nfs/dbraw/zinc/21/10/63/1017211063.db2.gz VROJLGFECIPVPD-MNOVXSKESA-N -1 0 309.322 -0.222 20 0 DBADRM CCn1cc(CC(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])nn1 ZINC001597879704 1017211493 /nfs/dbraw/zinc/21/14/93/1017211493.db2.gz DBNGAWMHTCAMAU-ZDUSSCGKSA-N -1 0 306.326 -0.303 20 0 DBADRM CCn1cc(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001597889712 1017212429 /nfs/dbraw/zinc/21/24/29/1017212429.db2.gz QIBMDVHKKSPSSQ-OTSSQURYSA-N -1 0 310.310 -0.369 20 0 DBADRM CCn1cc(CC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cn1 ZINC001597880746 1017212699 /nfs/dbraw/zinc/21/26/99/1017212699.db2.gz NWJHPMQOJVMLLA-UHFFFAOYSA-N -1 0 304.310 -0.181 20 0 DBADRM CCn1cc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1 ZINC001597898145 1017213819 /nfs/dbraw/zinc/21/38/19/1017213819.db2.gz IOVSUZVFUUAMHT-RKDXNWHRSA-N -1 0 303.340 -0.641 20 0 DBADRM CCn1cnc(C(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])c1 ZINC001597916673 1017214391 /nfs/dbraw/zinc/21/43/91/1017214391.db2.gz OHXLQBKEYWRLLS-UHFFFAOYSA-N -1 0 309.282 -0.052 20 0 DBADRM CCn1cnc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001597917063 1017214643 /nfs/dbraw/zinc/21/46/43/1017214643.db2.gz UGTMVGHQRUNTRQ-MNOVXSKESA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)cn1 ZINC001597898311 1017214650 /nfs/dbraw/zinc/21/46/50/1017214650.db2.gz UJWZMAZPRNDANG-UHFFFAOYSA-N -1 0 302.356 -0.706 20 0 DBADRM CCn1cnc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001597917130 1017215873 /nfs/dbraw/zinc/21/58/73/1017215873.db2.gz WONZPFKFKJRKJM-HNNXBMFYSA-N -1 0 322.365 -0.096 20 0 DBADRM CCn1nc(C)c(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001597932586 1017216388 /nfs/dbraw/zinc/21/63/88/1017216388.db2.gz NOHASJURILBSJJ-NXEZZACHSA-N -1 0 321.337 -0.732 20 0 DBADRM CCn1[nH]c(C)nc1=NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001597944676 1017216533 /nfs/dbraw/zinc/21/65/33/1017216533.db2.gz MENMQRFWUAPLBA-UHFFFAOYSA-N -1 0 312.330 -0.869 20 0 DBADRM CCn1nc(C)cc1NC(=O)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001597945024 1017217172 /nfs/dbraw/zinc/21/71/72/1017217172.db2.gz SUYYEQSLWWHNIE-ONGXEEELSA-N -1 0 324.337 -0.414 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001597933837 1017217324 /nfs/dbraw/zinc/21/73/24/1017217324.db2.gz VTDREBCIFCYSCO-DTORHVGOSA-N -1 0 309.326 -0.798 20 0 DBADRM CCn1cnnc1CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001597922940 1017217558 /nfs/dbraw/zinc/21/75/58/1017217558.db2.gz DLXHSDZCIGMIMY-UHFFFAOYSA-N -1 0 317.352 -0.069 20 0 DBADRM CCn1nccc1C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597962470 1017219088 /nfs/dbraw/zinc/21/90/88/1017219088.db2.gz JJSSBOJVUWRUSX-QWRGUYRKSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1ncc(C(=O)N(C)CCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001597951094 1017219123 /nfs/dbraw/zinc/21/91/23/1017219123.db2.gz XASPCPJAIGRPKM-VHSXEESVSA-N -1 0 323.353 -0.451 20 0 DBADRM CCn1nccc1C(=O)NCC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597962673 1017219136 /nfs/dbraw/zinc/21/91/36/1017219136.db2.gz QODMUEASYOXYOB-QWRGUYRKSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1ncc(CN2C(=O)[C@H]3CC[C@@H](C(=O)[O-])CN3C2=O)n1 ZINC001597957103 1017219187 /nfs/dbraw/zinc/21/91/87/1017219187.db2.gz MDVCMWNJQZVIIS-PSASIEDQSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])n2)n1 ZINC001597957622 1017219995 /nfs/dbraw/zinc/21/99/95/1017219995.db2.gz ZGSXNMHKJAKDDB-UHFFFAOYSA-N -1 0 318.293 -0.354 20 0 DBADRM CCn1nncc1C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001597973666 1017221256 /nfs/dbraw/zinc/22/12/56/1017221256.db2.gz DUWNFGJJDORDFI-DTWKUNHWSA-N -1 0 321.337 -0.603 20 0 DBADRM CCn1nncc1C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001597973801 1017222101 /nfs/dbraw/zinc/22/21/01/1017222101.db2.gz GJZPHLLHFNIOFC-BDAKNGLRSA-N -1 0 310.310 -0.224 20 0 DBADRM CCn1nnc(C)c1CN1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597972965 1017222214 /nfs/dbraw/zinc/22/22/14/1017222214.db2.gz MCQQXVPEGLGDBC-VXGBXAGGSA-N -1 0 321.381 -0.125 20 0 DBADRM CCn1ncnc1COC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001597972783 1017222425 /nfs/dbraw/zinc/22/24/25/1017222425.db2.gz LRWHQAIZFCAMAX-SECBINFHSA-N -1 0 310.310 -0.336 20 0 DBADRM CCn1nnc(C)c1CN1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597972961 1017222691 /nfs/dbraw/zinc/22/26/91/1017222691.db2.gz MCQQXVPEGLGDBC-NWDGAFQWSA-N -1 0 321.381 -0.125 20 0 DBADRM CCn1nncc1CN1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001597976016 1017222878 /nfs/dbraw/zinc/22/28/78/1017222878.db2.gz PVWWVWRLAADHLR-WPRPVWTQSA-N -1 0 307.310 -0.075 20 0 DBADRM CN(C(=O)C(=O)NC[C@H]1COC(C)(C)O1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597984108 1017224591 /nfs/dbraw/zinc/22/45/91/1017224591.db2.gz KIPKURRNAJUFNP-AEJSXWLSSA-N -1 0 314.338 -0.424 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@H](O)[C@@H](F)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597982452 1017224648 /nfs/dbraw/zinc/22/46/48/1017224648.db2.gz LJMAEHXGTNDIAJ-JXUBOQSCSA-N -1 0 302.302 -0.761 20 0 DBADRM CN(C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)[C@@H]1CCNC1=O ZINC001597989807 1017224696 /nfs/dbraw/zinc/22/46/96/1017224696.db2.gz DEZMDFAAPRYPQG-LLVKDONJSA-N -1 0 319.317 -0.401 20 0 DBADRM CN(C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@H]1CCSC1 ZINC001597983638 1017224707 /nfs/dbraw/zinc/22/47/07/1017224707.db2.gz YOHAFPSSGXQYDZ-DTWKUNHWSA-N -1 0 302.352 -0.738 20 0 DBADRM CN(C(=O)C(=O)N[C@H]1CCC[C@H]1CCO)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597982869 1017224879 /nfs/dbraw/zinc/22/48/79/1017224879.db2.gz PLDSRSBWRWKJIG-YFKTTZPYSA-N -1 0 312.366 -0.025 20 0 DBADRM CN(C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)[C@@H]1CCSC1 ZINC001597983187 1017225322 /nfs/dbraw/zinc/22/53/22/1017225322.db2.gz XBNVXNZZEWSFFM-IVZWLZJFSA-N -1 0 316.379 -0.756 20 0 DBADRM CN(C(=O)C(=O)NCc1ccc(C(N)=O)o1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597983744 1017225361 /nfs/dbraw/zinc/22/53/61/1017225361.db2.gz BNIMMYUWIZKQMQ-OCAPTIKFSA-N -1 0 323.305 -0.684 20 0 DBADRM CN(C(=O)C1CCOCC1)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001598004093 1017227880 /nfs/dbraw/zinc/22/78/80/1017227880.db2.gz WFRAFRKNEKAXES-VXGBXAGGSA-N -1 0 310.350 -0.197 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(CC(=O)NC(C)(C)C)C1 ZINC001597999012 1017227904 /nfs/dbraw/zinc/22/79/04/1017227904.db2.gz ZNHHFJNSZUPKRM-GHMZBOCLSA-N -1 0 311.382 -0.236 20 0 DBADRM CN(C(=O)Cn1ncn(C)c1=O)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598042326 1017231035 /nfs/dbraw/zinc/23/10/35/1017231035.db2.gz VHZAFRFODMFRSA-GFCCVEGCSA-N -1 0 304.306 -0.134 20 0 DBADRM CN(C)C(=O)c1ccc(NCCC(=O)NCCC(=O)[O-])nn1 ZINC001598156753 1017242672 /nfs/dbraw/zinc/24/26/72/1017242672.db2.gz VAEYFXXRTKQDLK-UHFFFAOYSA-N -1 0 309.326 -0.429 20 0 DBADRM CN(CC(=O)N(C1CC1)C1(C(=O)[O-])CCC1)S(C)(=O)=O ZINC001598378732 1017259444 /nfs/dbraw/zinc/25/94/44/1017259444.db2.gz ALTQEGXGECXSRG-UHFFFAOYSA-N -1 0 304.368 -0.124 20 0 DBADRM CN(CC(=O)N[C@@H](CCF)C(=O)[O-])c1ncnc2nc[nH]c21 ZINC001598387104 1017259523 /nfs/dbraw/zinc/25/95/23/1017259523.db2.gz NCLAWKGZNBRREM-ZETCQYMHSA-N -1 0 310.289 -0.282 20 0 DBADRM CN(C[C@@H](O)CNc1ncc(C(=O)[O-])cn1)C(=O)c1cnco1 ZINC001598435995 1017269216 /nfs/dbraw/zinc/26/92/16/1017269216.db2.gz IYNQMLIQNNKYNJ-VIFPVBQESA-N -1 0 321.293 -0.292 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)Cc1ccon1 ZINC001598495334 1017289909 /nfs/dbraw/zinc/28/99/09/1017289909.db2.gz FLQAPKUZYLCICZ-UHFFFAOYSA-N -1 0 305.294 -0.302 20 0 DBADRM CN(CCOC(C)(C)C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001598496806 1017289876 /nfs/dbraw/zinc/28/98/76/1017289876.db2.gz HOGRKWGCYBJWTI-SNVBAGLBSA-N -1 0 316.354 -0.428 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)[C@H]1CCCC(=O)N1 ZINC001598496002 1017290071 /nfs/dbraw/zinc/29/00/71/1017290071.db2.gz SMZSNCKSMHDCFY-SECBINFHSA-N -1 0 321.337 -0.864 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001598500796 1017292819 /nfs/dbraw/zinc/29/28/19/1017292819.db2.gz ZAUSYQJBEHRGDT-UHFFFAOYSA-N -1 0 302.312 -0.468 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)C1=O ZINC001598558964 1017302640 /nfs/dbraw/zinc/30/26/40/1017302640.db2.gz OMYJKYWHRGKBNL-LBPRGKRZSA-N -1 0 321.289 -0.472 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C[C@@H](O)COCc2ccccc2)CC1=O ZINC001598562596 1017304586 /nfs/dbraw/zinc/30/45/86/1017304586.db2.gz BQGPFODCEAYWFJ-ZIAGYGMSSA-N -1 0 322.361 -0.209 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cccc3[nH]c(=O)[nH]c32)CC1=O ZINC001598561842 1017305566 /nfs/dbraw/zinc/30/55/66/1017305566.db2.gz FHTNYUDLTHLCBA-SECBINFHSA-N -1 0 318.289 -0.364 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@@H](O)CCc2ccccc2)CC1=O ZINC001598562460 1017305897 /nfs/dbraw/zinc/30/58/97/1017305897.db2.gz KPCFLBIUAAWNRN-OLZOCXBDSA-N -1 0 320.345 -0.266 20 0 DBADRM Cn1nnc2cc(C(=O)N3CC(=O)N(C)C[C@H]3C(=O)[O-])ccc21 ZINC001598562422 1017305984 /nfs/dbraw/zinc/30/59/84/1017305984.db2.gz KDJMUYFXRUTLQC-NSHDSACASA-N -1 0 317.305 -0.664 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)OCCO3)CC1=O ZINC001598561850 1017306264 /nfs/dbraw/zinc/30/62/64/1017306264.db2.gz FMSSIGNDEWMILR-JTQLQIEISA-N -1 0 320.301 -0.175 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2c[nH]cc(Cl)c2=O)CC1=O ZINC001598564468 1017307756 /nfs/dbraw/zinc/30/77/56/1017307756.db2.gz UXMSLKQQICPYGI-QMMMGPOBSA-N -1 0 313.697 -0.604 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)/C=C\c2ccc(C(N)=O)o2)CC1=O ZINC001598564068 1017308214 /nfs/dbraw/zinc/30/82/14/1017308214.db2.gz WLUWKDHATNKFBH-LVCFMKKZSA-N -1 0 321.289 -0.855 20 0 DBADRM CN1CC[C@@H](NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1=O ZINC001598586625 1017323850 /nfs/dbraw/zinc/32/38/50/1017323850.db2.gz OMVIWUSAYYNVCK-IMSIIYSGSA-N -1 0 311.338 -0.650 20 0 DBADRM CN1CC[C@@H](NC(=O)N2CCSC[C@H](C(=O)[O-])C2)C1=O ZINC001598586767 1017323899 /nfs/dbraw/zinc/32/38/99/1017323899.db2.gz QWJYNFLSBSIEBE-RKDXNWHRSA-N -1 0 301.368 -0.324 20 0 DBADRM CN1CC[C@@H](NC(=O)N2CCSC[C@@H](C(=O)[O-])C2)C1=O ZINC001598586763 1017325307 /nfs/dbraw/zinc/32/53/07/1017325307.db2.gz QWJYNFLSBSIEBE-DTWKUNHWSA-N -1 0 301.368 -0.324 20 0 DBADRM CN1CCCC[C@H](C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])C1=O ZINC001598599325 1017328195 /nfs/dbraw/zinc/32/81/95/1017328195.db2.gz RXZMVTKKLJHOOX-MNOVXSKESA-N -1 0 308.338 -0.289 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)c1cncc(C(=O)[O-])c1 ZINC001598604698 1017330093 /nfs/dbraw/zinc/33/00/93/1017330093.db2.gz PZQKKOQZWBNBLS-UHFFFAOYSA-N -1 0 320.349 -0.374 20 0 DBADRM CN1CCC[C@H]1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001598602957 1017332660 /nfs/dbraw/zinc/33/26/60/1017332660.db2.gz YESUJIIFSZXAIN-VIFPVBQESA-N -1 0 304.368 -0.771 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CC1=O ZINC001598605137 1017334266 /nfs/dbraw/zinc/33/42/66/1017334266.db2.gz ZPKORZAJJXYDCZ-UHFFFAOYSA-N -1 0 306.278 -0.981 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)NCC(=O)N1CCN(C)CC1 ZINC001598607000 1017335736 /nfs/dbraw/zinc/33/57/36/1017335736.db2.gz GLJIUQPUNUHERP-UHFFFAOYSA-N -1 0 324.341 -0.986 20 0 DBADRM CCCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C(F)F ZINC001497306530 1017338064 /nfs/dbraw/zinc/33/80/64/1017338064.db2.gz WMZGZBJENOBKEI-UHFFFAOYSA-N -1 0 321.284 -0.691 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@@H](C(=O)[O-])C1 ZINC001598606579 1017338457 /nfs/dbraw/zinc/33/84/57/1017338457.db2.gz YOQCAMGUBCDXNJ-UWVGGRQHSA-N -1 0 304.368 -0.962 20 0 DBADRM CN1CCN(C(=O)CNC(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC001598607188 1017338521 /nfs/dbraw/zinc/33/85/21/1017338521.db2.gz KASODZSDZQYOAW-UHFFFAOYSA-N -1 0 311.363 -0.050 20 0 DBADRM CN1CCN(CC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CC1=O ZINC001598614772 1017342408 /nfs/dbraw/zinc/34/24/08/1017342408.db2.gz DARRSRHSWULNDL-KKOKHZNYSA-N -1 0 309.366 -0.624 20 0 DBADRM CN1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C[C@@H]1CO ZINC001598620695 1017350698 /nfs/dbraw/zinc/35/06/98/1017350698.db2.gz HSLOVNKHUPGIGD-SNVBAGLBSA-N -1 0 306.384 -0.821 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])C1=O ZINC001598624259 1017354414 /nfs/dbraw/zinc/35/44/14/1017354414.db2.gz GGPHWQLNYYEKJC-ZYHUDNBSSA-N -1 0 322.317 -0.639 20 0 DBADRM CN1CCO[C@H](C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)C1=O ZINC001598625774 1017355110 /nfs/dbraw/zinc/35/51/10/1017355110.db2.gz OGLGFKCSUOGLBC-VXGBXAGGSA-N -1 0 324.308 -0.033 20 0 DBADRM CN1CCOC[C@]1(CO)CNC(=O)NCC(C)(C)CC(=O)[O-] ZINC001598623237 1017355174 /nfs/dbraw/zinc/35/51/74/1017355174.db2.gz BKVFABZSTBAXAC-CQSZACIVSA-N -1 0 317.386 -0.520 20 0 DBADRM CN1CCOC[C@@H]1CN1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001598623558 1017355312 /nfs/dbraw/zinc/35/53/12/1017355312.db2.gz JZDYYMNLXLGZDU-DCAQKATOSA-N -1 0 311.338 -0.556 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@@H](Cc2ccccc2O)C(=O)[O-])C1=O ZINC001598624257 1017355448 /nfs/dbraw/zinc/35/54/48/1017355448.db2.gz GGPHWQLNYYEKJC-JQWIXIFHSA-N -1 0 322.317 -0.639 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])C1=O ZINC001598624258 1017356108 /nfs/dbraw/zinc/35/61/08/1017356108.db2.gz GGPHWQLNYYEKJC-PWSUYJOCSA-N -1 0 322.317 -0.639 20 0 DBADRM CNC(=O)[C@H](C)CN(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598630030 1017358224 /nfs/dbraw/zinc/35/82/24/1017358224.db2.gz GVUGBYZTNTVNDN-NXEZZACHSA-N -1 0 313.354 -0.850 20 0 DBADRM CNC(=O)C1(C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])CC1 ZINC001598631709 1017358344 /nfs/dbraw/zinc/35/83/44/1017358344.db2.gz HNNBOCIZRQOVSR-NSHDSACASA-N -1 0 305.334 -0.033 20 0 DBADRM CN1CCn2c(CNC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)nnc2C1=O ZINC001598627976 1017358353 /nfs/dbraw/zinc/35/83/53/1017358353.db2.gz XQCDDCHSRCVPPW-OCAPTIKFSA-N -1 0 307.310 -0.909 20 0 DBADRM CNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001598630949 1017358497 /nfs/dbraw/zinc/35/84/97/1017358497.db2.gz VVRPVRLVHPMIDR-UHFFFAOYSA-N -1 0 315.351 -0.170 20 0 DBADRM CNC(=O)C(C)(C)CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001598631151 1017359473 /nfs/dbraw/zinc/35/94/73/1017359473.db2.gz ZRWOYRBFHLRRQP-UHFFFAOYSA-N -1 0 315.351 -0.170 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)COCc1ocnc1C(=O)[O-] ZINC001598630814 1017359939 /nfs/dbraw/zinc/35/99/39/1017359939.db2.gz SNSJOKRXDISIGK-UHFFFAOYSA-N -1 0 313.310 -0.222 20 0 DBADRM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001598636678 1017360674 /nfs/dbraw/zinc/36/06/74/1017360674.db2.gz ZOLHSDJBYXKEDM-VPOLOUISSA-N -1 0 313.354 -0.215 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001598634814 1017360925 /nfs/dbraw/zinc/36/09/25/1017360925.db2.gz WOHQIJVRIVMKBG-SSDOTTSWSA-N -1 0 301.324 -0.499 20 0 DBADRM CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001598634783 1017361548 /nfs/dbraw/zinc/36/15/48/1017361548.db2.gz VPWWARQXNLDWNE-JTQLQIEISA-N -1 0 316.335 -0.922 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001598632719 1017361575 /nfs/dbraw/zinc/36/15/75/1017361575.db2.gz JCTCCGBOKLTOEU-UWVGGRQHSA-N -1 0 307.354 -0.172 20 0 DBADRM CNC(=O)[C@@]1(C(F)(F)F)CCN(Cn2cnc(C(=O)[O-])n2)C1 ZINC001598632159 1017362110 /nfs/dbraw/zinc/36/21/10/1017362110.db2.gz AYZFMOHKLOJPRY-SNVBAGLBSA-N -1 0 321.259 -0.066 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598639686 1017363637 /nfs/dbraw/zinc/36/36/37/1017363637.db2.gz KGAFTFPRPRGGRO-SDBXPKJASA-N -1 0 312.326 -0.474 20 0 DBADRM CNC(=O)C=C(N)NO[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001598640245 1017364777 /nfs/dbraw/zinc/36/47/77/1017364777.db2.gz WBJZUDJHHGMJHE-QMMMGPOBSA-N -1 0 300.315 -0.913 20 0 DBADRM CNC(=O)[C@@H]1CN(Cc2snc(OC)c2C(=O)[O-])CCO1 ZINC001598638162 1017364921 /nfs/dbraw/zinc/36/49/21/1017364921.db2.gz UVVUYVPXSDIOQJ-ZETCQYMHSA-N -1 0 315.351 -0.203 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2ccsc2C(=O)[O-])CC1 ZINC001598644507 1017365829 /nfs/dbraw/zinc/36/58/29/1017365829.db2.gz CUCLRDLMBICFPC-UHFFFAOYSA-N -1 0 311.363 -0.050 20 0 DBADRM CNC(=O)CCCN(C)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598642599 1017366241 /nfs/dbraw/zinc/36/62/41/1017366241.db2.gz SKAUAVRIRUIGCX-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)c2cc(C(=O)[O-])on2)CC1 ZINC001598642831 1017367081 /nfs/dbraw/zinc/36/70/81/1017367081.db2.gz KXZOROBBCUJROY-UHFFFAOYSA-N -1 0 310.310 -0.687 20 0 DBADRM CNC(=O)Cc1nc(CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])cs1 ZINC001598648733 1017368618 /nfs/dbraw/zinc/36/86/18/1017368618.db2.gz SSLSWWXKQWEJNT-BXKDBHETSA-N -1 0 313.379 -0.159 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)c2cc(C(=O)[O-])ccn2)CCO1 ZINC001598651061 1017368713 /nfs/dbraw/zinc/36/87/13/1017368713.db2.gz HQOLWKLHMYOWPH-JTQLQIEISA-N -1 0 322.321 -0.450 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)c2c(C)coc2CC(=O)[O-])n1 ZINC001598651217 1017369476 /nfs/dbraw/zinc/36/94/76/1017369476.db2.gz NZAMVAWFHWMRJM-UHFFFAOYSA-N -1 0 321.293 -0.195 20 0 DBADRM CNC(=O)Cc1noc(CN2CC(F)(F)C[C@H]2C(=O)[O-])n1 ZINC001598648896 1017369523 /nfs/dbraw/zinc/36/95/23/1017369523.db2.gz XMDWUBPLDICRBU-LURJTMIESA-N -1 0 304.253 -0.348 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)c2ccc(C(=O)[O-])n2C)cn1 ZINC001598650304 1017369921 /nfs/dbraw/zinc/36/99/21/1017369921.db2.gz BXVBVFATOQSZEA-UHFFFAOYSA-N -1 0 305.294 -0.082 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)n1 ZINC001598651174 1017370075 /nfs/dbraw/zinc/37/00/75/1017370075.db2.gz NIHBYNPMMRCPAT-KYZUINATSA-N -1 0 309.326 -0.146 20 0 DBADRM CNC(=O)NCC(=O)N(C)[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001598653149 1017371398 /nfs/dbraw/zinc/37/13/98/1017371398.db2.gz XSLDWAOQNKDRDJ-QMMMGPOBSA-N -1 0 324.341 -0.637 20 0 DBADRM CNC(=O)NC1CCN([C@H](CCC(=O)[O-])C(=O)OC)CC1 ZINC001598652631 1017371671 /nfs/dbraw/zinc/37/16/71/1017371671.db2.gz JIEICSMHWNERNZ-SNVBAGLBSA-N -1 0 301.343 -0.214 20 0 DBADRM CNC(=O)NCC(=O)NC/C=C\CNc1ncc(C(=O)[O-])cn1 ZINC001598652774 1017371810 /nfs/dbraw/zinc/37/18/10/1017371810.db2.gz VEVHHZHNDLGQDW-IHWYPQMZSA-N -1 0 322.325 -0.812 20 0 DBADRM CN[C@H](C(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1)c1cnn(C)c1 ZINC001598661545 1017373714 /nfs/dbraw/zinc/37/37/14/1017373714.db2.gz HIDWFVNUQLGUNE-DLOVCJGASA-N -1 0 310.354 -0.466 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001598656313 1017374177 /nfs/dbraw/zinc/37/41/77/1017374177.db2.gz WYEIDPUHPPZMES-VIFPVBQESA-N -1 0 321.333 -0.107 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC001598662223 1017374681 /nfs/dbraw/zinc/37/46/81/1017374681.db2.gz WEUQWZLIRYIXSU-DQOJRVPBSA-N -1 0 319.317 -0.499 20 0 DBADRM CNC(=O)c1ccc(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)cn1 ZINC001598656872 1017375666 /nfs/dbraw/zinc/37/56/66/1017375666.db2.gz WFGHGIPIAZOMMF-GHMZBOCLSA-N -1 0 321.333 -0.092 20 0 DBADRM CNC(=O)c1cccc(C(=O)NCCC(=O)NCCC(=O)[O-])n1 ZINC001598658695 1017375747 /nfs/dbraw/zinc/37/57/47/1017375747.db2.gz BFOAZHUZILXQPS-UHFFFAOYSA-N -1 0 322.321 -0.848 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001598669610 1017379112 /nfs/dbraw/zinc/37/91/12/1017379112.db2.gz PPRHWAUCKHZTKA-VIFPVBQESA-N -1 0 315.351 -0.133 20 0 DBADRM CNS(=O)(=O)NCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001598670406 1017379212 /nfs/dbraw/zinc/37/92/12/1017379212.db2.gz DMVYUQZRJRQVCS-GUBZILKMSA-N -1 0 319.383 -0.858 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001598669609 1017379344 /nfs/dbraw/zinc/37/93/44/1017379344.db2.gz NKSKGEDIRXLMPA-NSHDSACASA-N -1 0 314.363 -0.262 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])no2)C1 ZINC001598669549 1017380564 /nfs/dbraw/zinc/38/05/64/1017380564.db2.gz NVCQVAFGBOEAIF-ZETCQYMHSA-N -1 0 317.323 -0.473 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001598669348 1017380696 /nfs/dbraw/zinc/38/06/96/1017380696.db2.gz LGSGREPHQFJXKB-RXMQYKEDSA-N -1 0 307.353 -0.432 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1 ZINC001598668739 1017380910 /nfs/dbraw/zinc/38/09/10/1017380910.db2.gz AXBGKCYFYYXNKW-ZYUZMQFOSA-N -1 0 320.367 -0.985 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])[nH]2)C1 ZINC001598669405 1017381093 /nfs/dbraw/zinc/38/10/93/1017381093.db2.gz MRLAQVBARUAERB-SSDOTTSWSA-N -1 0 301.324 -0.523 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H](C)CC(=O)[O-])C1 ZINC001598670748 1017381133 /nfs/dbraw/zinc/38/11/33/1017381133.db2.gz HJBFFGMTFSGLGM-ZJUUUORDSA-N -1 0 306.384 -0.115 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001598670699 1017381212 /nfs/dbraw/zinc/38/12/12/1017381212.db2.gz IUPDCJDHWNAGDU-UHFFFAOYSA-N -1 0 317.323 -0.614 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC001598671904 1017381788 /nfs/dbraw/zinc/38/17/88/1017381788.db2.gz WAVQQUZEXXRVLS-SNVBAGLBSA-N -1 0 319.314 -0.879 20 0 DBADRM CNS(=O)(=O)CCC(=O)O[C@H](C)C(=O)C(C)(C)C(=O)[O-] ZINC001598672336 1017381812 /nfs/dbraw/zinc/38/18/12/1017381812.db2.gz YXDLMVBMOAVGJP-SSDOTTSWSA-N -1 0 309.340 -0.463 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001598671916 1017383201 /nfs/dbraw/zinc/38/32/01/1017383201.db2.gz UFCUUCCODPKORT-GFCCVEGCSA-N -1 0 321.399 -0.178 20 0 DBADRM CNS(=O)(=O)CCC(=O)OCc1cccc(C(=O)[O-])n1 ZINC001598671245 1017382131 /nfs/dbraw/zinc/38/21/31/1017382131.db2.gz OAGQNZKTIBDNJQ-UHFFFAOYSA-N -1 0 302.308 -0.238 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001598671189 1017382431 /nfs/dbraw/zinc/38/24/31/1017382431.db2.gz NMUFVALTNJWNIR-SNVBAGLBSA-N -1 0 321.399 -0.274 20 0 DBADRM CNS(=O)(=O)CCC(=O)O[C@@H](C)C(=O)C(C)(C)C(=O)[O-] ZINC001598672337 1017382966 /nfs/dbraw/zinc/38/29/66/1017382966.db2.gz YXDLMVBMOAVGJP-ZETCQYMHSA-N -1 0 309.340 -0.463 20 0 DBADRM CNS(=O)(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001598672168 1017383143 /nfs/dbraw/zinc/38/31/43/1017383143.db2.gz YIZZTVFPCVIWEM-ZETCQYMHSA-N -1 0 319.364 -0.395 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N[C@H](C)/C=C/C(=O)[O-])CC1 ZINC001598671030 1017383384 /nfs/dbraw/zinc/38/33/84/1017383384.db2.gz ICIBBCKAHSTTBS-CDAZIORVSA-N -1 0 319.383 -0.692 20 0 DBADRM CNS(=O)(=O)NC1CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC001598672037 1017383469 /nfs/dbraw/zinc/38/34/69/1017383469.db2.gz WKQATDXGPMAUGY-UHFFFAOYSA-N -1 0 317.367 -0.004 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)OC/C=C(/C)C(=O)[O-])CC1 ZINC001598671469 1017383629 /nfs/dbraw/zinc/38/36/29/1017383629.db2.gz MUTGOZAOWQIAEW-UITAMQMPSA-N -1 0 320.367 -0.263 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N(CC(=O)[O-])C2CC2)CC1 ZINC001598670934 1017383775 /nfs/dbraw/zinc/38/37/75/1017383775.db2.gz GROQYEDYRYELGQ-UHFFFAOYSA-N -1 0 319.383 -0.762 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)c1ccoc1CC(=O)[O-] ZINC001598672654 1017385189 /nfs/dbraw/zinc/38/51/89/1017385189.db2.gz YNXWJRDLGPIKPV-UHFFFAOYSA-N -1 0 304.324 -0.424 20 0 DBADRM CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)CCC(=O)[O-])c1 ZINC001598673211 1017385563 /nfs/dbraw/zinc/38/55/63/1017385563.db2.gz JJQLGRZHTHPMMB-UHFFFAOYSA-N -1 0 318.307 -0.487 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)C(=O)[O-])cn1 ZINC001598673305 1017385788 /nfs/dbraw/zinc/38/57/88/1017385788.db2.gz VKHGCKKTPYOFNR-LURJTMIESA-N -1 0 316.291 -0.811 20 0 DBADRM CNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H]2C(=O)[O-])cc1 ZINC001598673683 1017386225 /nfs/dbraw/zinc/38/62/25/1017386225.db2.gz DHORXMPVJOYJIQ-LLVKDONJSA-N -1 0 312.347 -0.177 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)O[C@H](COC)C(=O)[O-])c1 ZINC001598676288 1017386505 /nfs/dbraw/zinc/38/65/05/1017386505.db2.gz DFZZKEDLQRNEEH-SNVBAGLBSA-N -1 0 317.319 -0.149 20 0 DBADRM CNc1nc(C)cc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)n1 ZINC001598681794 1017386724 /nfs/dbraw/zinc/38/67/24/1017386724.db2.gz ROCLHAQDUMLCSF-IUCAKERBSA-N -1 0 322.321 -0.227 20 0 DBADRM COC(=O)/C(C)=C\CNC(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001598687509 1017387678 /nfs/dbraw/zinc/38/76/78/1017387678.db2.gz IGQWDSHLGGBTIA-PRUHKGEBSA-N -1 0 300.311 -0.009 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001598689495 1017388014 /nfs/dbraw/zinc/38/80/14/1017388014.db2.gz ZDLRYIORJGAVIH-LDYMZIIASA-N -1 0 309.340 -0.794 20 0 DBADRM CNc1nnc(CC(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)s1 ZINC001598682452 1017388285 /nfs/dbraw/zinc/38/82/85/1017388285.db2.gz KURRKBZLZIFCHB-RNFRBKRXSA-N -1 0 300.340 -0.177 20 0 DBADRM COC(=O)C(C)(C)n1ccc(NC(=O)[C@H]([NH3+])CCC(=O)[O-])n1 ZINC001598686193 1017388811 /nfs/dbraw/zinc/38/88/11/1017388811.db2.gz SXEFWRJLJXYJGE-MRVPVSSYSA-N -1 0 312.326 -0.078 20 0 DBADRM CNc1nnc(CC(=O)N[C@H](CCC(=O)[O-])C(=O)OC)s1 ZINC001598682676 1017388993 /nfs/dbraw/zinc/38/89/93/1017388993.db2.gz QCTYMVCSMNKDKB-ZCFIWIBFSA-N -1 0 316.339 -0.355 20 0 DBADRM COC(=O)C(C)(C)n1cc(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])cn1 ZINC001598685351 1017389054 /nfs/dbraw/zinc/38/90/54/1017389054.db2.gz FNEHCBNKRYHEIN-VIFPVBQESA-N -1 0 312.326 -0.078 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CSc1nncs1 ZINC001598693840 1017390526 /nfs/dbraw/zinc/39/05/26/1017390526.db2.gz QCNYSABMZWKUNE-YFKPBYRVSA-N -1 0 305.337 -0.237 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC001598694577 1017390877 /nfs/dbraw/zinc/39/08/77/1017390877.db2.gz KQVWUFISDMXWCW-BDAKNGLRSA-N -1 0 308.356 -0.431 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)Cn1c(C)c(C)sc1=O ZINC001598694538 1017390965 /nfs/dbraw/zinc/39/09/65/1017390965.db2.gz SZAWDQWXPMPHQK-QMMMGPOBSA-N -1 0 316.335 -0.341 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1nc2nccc(C)n2n1 ZINC001598693248 1017391202 /nfs/dbraw/zinc/39/12/02/1017391202.db2.gz DHAIZDYNRKNTDF-SSDOTTSWSA-N -1 0 307.266 -0.821 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cn(C(C)C)cn1 ZINC001598693734 1017391527 /nfs/dbraw/zinc/39/15/27/1017391527.db2.gz GNCZOVMXKSAVAG-MRVPVSSYSA-N -1 0 319.339 -0.241 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)Cc1cnn2c1CCCC2 ZINC001598693390 1017391539 /nfs/dbraw/zinc/39/15/39/1017391539.db2.gz MYDSVTDFLYWDKA-SNVBAGLBSA-N -1 0 309.322 -0.106 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CC1CCN(OC)CC1 ZINC001598695499 1017392259 /nfs/dbraw/zinc/39/22/59/1017392259.db2.gz VFNGXSALAWSJRP-SNVBAGLBSA-N -1 0 302.327 -0.218 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC001598695876 1017392770 /nfs/dbraw/zinc/39/27/70/1017392770.db2.gz ZWQHOYDQIBFLBJ-IONNQARKSA-N -1 0 312.278 -0.470 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C)nc1 ZINC001598695202 1017393228 /nfs/dbraw/zinc/39/32/28/1017393228.db2.gz QAXIDEADUHWCNX-SECBINFHSA-N -1 0 302.308 -0.315 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC001598696653 1017393469 /nfs/dbraw/zinc/39/34/69/1017393469.db2.gz AYUAZOKTLKYZEF-ZJUUUORDSA-N -1 0 322.383 -0.594 20 0 DBADRM COC(=O)[C@@H](CCF)NS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001598699257 1017393689 /nfs/dbraw/zinc/39/36/89/1017393689.db2.gz OTXXYUWVGDZFQV-MRVPVSSYSA-N -1 0 320.298 -0.041 20 0 DBADRM COC(=O)[C@@H](CCF)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598699076 1017394070 /nfs/dbraw/zinc/39/40/70/1017394070.db2.gz OBLDNLBZHRUBTF-DTWKUNHWSA-N -1 0 318.301 -0.673 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)C1CN(CC(F)(F)F)C1 ZINC001598695858 1017394372 /nfs/dbraw/zinc/39/43/72/1017394372.db2.gz ZPCZGOSPLBTSMP-SSDOTTSWSA-N -1 0 312.244 -0.387 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001598698522 1017394443 /nfs/dbraw/zinc/39/44/43/1017394443.db2.gz KWGZHSZBLFCFTO-UWVGGRQHSA-N -1 0 322.383 -0.642 20 0 DBADRM COC(=O)C1(C(=O)NC2(CNC(=O)C3(C(=O)[O-])CC3)CC2)CC1 ZINC001598716991 1017396756 /nfs/dbraw/zinc/39/67/56/1017396756.db2.gz XRXWNTKXDOEESV-UHFFFAOYSA-N -1 0 324.333 -0.431 20 0 DBADRM COC(=O)[C@@]1(C(=O)N[C@@H](CO)C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598716764 1017396777 /nfs/dbraw/zinc/39/67/77/1017396777.db2.gz SVUPXBSOUZRZPC-PGUXBMHVSA-N -1 0 307.302 -0.105 20 0 DBADRM COC(=O)C1(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CCC1 ZINC001598721944 1017397942 /nfs/dbraw/zinc/39/79/42/1017397942.db2.gz ISFCXYPTOAFAJA-SECBINFHSA-N -1 0 312.322 -0.479 20 0 DBADRM COC(=O)C1(O)CN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001598723862 1017398322 /nfs/dbraw/zinc/39/83/22/1017398322.db2.gz DMLBHLYHBPPWJH-BDAKNGLRSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)[C@]1(C)C[C@@H](OC)CN1S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001598717518 1017398380 /nfs/dbraw/zinc/39/83/80/1017398380.db2.gz AZJONAPARFZQPX-SBMIAAHKSA-N -1 0 323.367 -0.311 20 0 DBADRM COC(=O)C1(NC(=O)/C=C(\C)C(=O)NC2(C(=O)[O-])CC2)CC1 ZINC001598721574 1017398775 /nfs/dbraw/zinc/39/87/75/1017398775.db2.gz IMXLNGOSIUEBJZ-BQYQJAHWSA-N -1 0 310.306 -0.512 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001497502109 1017398791 /nfs/dbraw/zinc/39/87/91/1017398791.db2.gz DFEPBXWIVZFKLG-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001598719450 1017399033 /nfs/dbraw/zinc/39/90/33/1017399033.db2.gz FENOPJSZLQCVCZ-LBPRGKRZSA-N -1 0 321.351 -0.650 20 0 DBADRM COC(=O)C1(NC(=O)c2ccc(C(=O)[O-])cn2)CC(CO)C1 ZINC001598722791 1017399049 /nfs/dbraw/zinc/39/90/49/1017399049.db2.gz IIGZFNPYKAEICO-UHFFFAOYSA-N -1 0 308.290 -0.176 20 0 DBADRM COC(=O)C1(O)CN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001598723863 1017399193 /nfs/dbraw/zinc/39/91/93/1017399193.db2.gz DMLBHLYHBPPWJH-DTWKUNHWSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)C1(NC(=O)[C@@H](C)CC(N)=O)CCC(C(=O)[O-])CC1 ZINC001598721826 1017399328 /nfs/dbraw/zinc/39/93/28/1017399328.db2.gz LQYVRHJMKGNJCT-JUXJKVCFSA-N -1 0 314.338 -0.199 20 0 DBADRM COC(=O)C1(O)CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001598724025 1017399998 /nfs/dbraw/zinc/39/99/98/1017399998.db2.gz HIMCXKPJPPEOKH-DTWKUNHWSA-N -1 0 301.295 -0.997 20 0 DBADRM COC(=O)[C@@]1(C)CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001598717859 1017400090 /nfs/dbraw/zinc/40/00/90/1017400090.db2.gz JEJDQJQKMYAZQT-NSHDSACASA-N -1 0 318.307 -0.054 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])CCC1 ZINC001598726445 1017401307 /nfs/dbraw/zinc/40/13/07/1017401307.db2.gz UJROXOPMUIVWGJ-RKDXNWHRSA-N -1 0 321.351 -0.678 20 0 DBADRM COC(=O)C1(S(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)CCC1 ZINC001598725736 1017401375 /nfs/dbraw/zinc/40/13/75/1017401375.db2.gz IVOLKKHSAOZCJK-NSHDSACASA-N -1 0 321.351 -0.507 20 0 DBADRM COC(=O)[C@]1(OC)CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598725194 1017401628 /nfs/dbraw/zinc/40/16/28/1017401628.db2.gz CLHVDOYSLSRCCY-KKFJDGPESA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])CCC1 ZINC001598726537 1017401831 /nfs/dbraw/zinc/40/18/31/1017401831.db2.gz XBDORGPRULGRMD-VIFPVBQESA-N -1 0 321.351 -0.413 20 0 DBADRM COC(=O)[C@@]1(CNS(=O)(=O)CC2(C(=O)[O-])CC2)CCOC1 ZINC001598726415 1017402060 /nfs/dbraw/zinc/40/20/60/1017402060.db2.gz FLQBGTGYARVTDK-GFCCVEGCSA-N -1 0 321.351 -0.650 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H](C)NC(C)=O ZINC001598741802 1017403239 /nfs/dbraw/zinc/40/32/39/1017403239.db2.gz IUFDRZUMLFFWKT-QNSHHTMESA-N -1 0 300.311 -0.624 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H]1CCCC(=O)N1 ZINC001598743745 1017403284 /nfs/dbraw/zinc/40/32/84/1017403284.db2.gz DYXCOYLUGNWJAN-BBBLOLIVSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001598743843 1017403431 /nfs/dbraw/zinc/40/34/31/1017403431.db2.gz NRNRNYVSNGGJPB-AAEUAGOBSA-N -1 0 322.317 -0.153 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CO[C@@H]1CCOC1 ZINC001598742271 1017403446 /nfs/dbraw/zinc/40/34/46/1017403446.db2.gz ACZHOIIMKPSQQR-AXFHLTTASA-N -1 0 315.322 -0.343 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CO[C@H]1CCOC1 ZINC001598742274 1017403760 /nfs/dbraw/zinc/40/37/60/1017403760.db2.gz ACZHOIIMKPSQQR-DCAQKATOSA-N -1 0 315.322 -0.343 20 0 DBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001598743846 1017403770 /nfs/dbraw/zinc/40/37/70/1017403770.db2.gz NRNRNYVSNGGJPB-DGCLKSJQSA-N -1 0 322.317 -0.153 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@]1(F)CCOC1 ZINC001598747848 1017404902 /nfs/dbraw/zinc/40/49/02/1017404902.db2.gz BVYUVOJYMNZMDL-VYUIOLGVSA-N -1 0 303.286 -0.020 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H](O)CCSC ZINC001598749550 1017405564 /nfs/dbraw/zinc/40/55/64/1017405564.db2.gz LZWFHRHXOQBTFL-KXUCPTDWSA-N -1 0 319.379 -0.035 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cncc(OC)n1 ZINC001598748424 1017405664 /nfs/dbraw/zinc/40/56/64/1017405664.db2.gz AQJKCTOMBVQHRR-WCBMZHEXSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H]1CN(C)CCO1 ZINC001598749274 1017405695 /nfs/dbraw/zinc/40/56/95/1017405695.db2.gz KXSROMPDHASCTB-OUAUKWLOSA-N -1 0 314.338 -0.818 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCc1nnc[nH]1 ZINC001598748588 1017405724 /nfs/dbraw/zinc/40/57/24/1017405724.db2.gz IIXIKUWUKAVLMX-RKDXNWHRSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)C[C@@H](C)NC(N)=O ZINC001598748255 1017405745 /nfs/dbraw/zinc/40/57/45/1017405745.db2.gz GMRLFZQWKOGYGN-VGMNWLOBSA-N -1 0 315.326 -0.702 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001598754096 1017406975 /nfs/dbraw/zinc/40/69/75/1017406975.db2.gz CZDFAXKRSWPAMP-ZJUUUORDSA-N -1 0 308.290 -0.224 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598759449 1017407403 /nfs/dbraw/zinc/40/74/03/1017407403.db2.gz XFGZKRISZRHHGK-SCZZXKLOSA-N -1 0 323.305 -0.674 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC(=O)CCSCC(=O)[O-])CN1C ZINC001598755369 1017408069 /nfs/dbraw/zinc/40/80/69/1017408069.db2.gz KLTGWSHHLXKVLG-BDAKNGLRSA-N -1 0 305.352 -0.017 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@H](C)S(C)(=O)=O ZINC001598762061 1017408087 /nfs/dbraw/zinc/40/80/87/1017408087.db2.gz HCFAHPMWFARFBB-YIZRAAEISA-N -1 0 321.351 -0.716 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@H](O)c1ccccn1 ZINC001598752373 1017408098 /nfs/dbraw/zinc/40/80/98/1017408098.db2.gz XLSFVCLTSDKZMI-ZMLRMANQSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@H]1CCC(=O)NC1 ZINC001598751611 1017408225 /nfs/dbraw/zinc/40/82/25/1017408225.db2.gz WBYHJPJQJMIKBO-GUBZILKMSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2CC(=O)NCC(=O)[O-])O1 ZINC001598756941 1017408264 /nfs/dbraw/zinc/40/82/64/1017408264.db2.gz BDYFDSBNKXEEES-ZNSHCXBVSA-N -1 0 314.338 -0.629 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001598757858 1017408336 /nfs/dbraw/zinc/40/83/36/1017408336.db2.gz QKSRVHFLDWPQDB-YIYTYNFBSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2ccc(C(=O)[O-])n2C)C1 ZINC001598756540 1017408391 /nfs/dbraw/zinc/40/83/91/1017408391.db2.gz MIIQDQPVFBFZIV-DTWKUNHWSA-N -1 0 310.306 -0.281 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc[n+]([O-])c1 ZINC001598766173 1017409209 /nfs/dbraw/zinc/40/92/09/1017409209.db2.gz CJHQQCCGKRHLLE-WDEREUQCSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001598764363 1017409373 /nfs/dbraw/zinc/40/93/73/1017409373.db2.gz HRWRNXXOXDEKMC-LDYMZIIASA-N -1 0 323.305 -0.033 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(C=O)n(C)n1 ZINC001598766169 1017409763 /nfs/dbraw/zinc/40/97/63/1017409763.db2.gz CJAHJBZUWDANNS-LDYMZIIASA-N -1 0 323.305 -0.289 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCn1cncn1 ZINC001598764461 1017409789 /nfs/dbraw/zinc/40/97/89/1017409789.db2.gz AGMYXIRPEGGWKS-WDEREUQCSA-N -1 0 324.337 -0.077 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CN(C)C(=O)OC ZINC001598764487 1017409824 /nfs/dbraw/zinc/40/98/24/1017409824.db2.gz BCGWPLWXSHRIHR-DTWKUNHWSA-N -1 0 316.310 -0.451 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCC(N)=O ZINC001598763266 1017409879 /nfs/dbraw/zinc/40/98/79/1017409879.db2.gz PGDBCMFHQVVYAT-BDAKNGLRSA-N -1 0 300.311 -0.493 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)C(=O)c1cnn(C)c1 ZINC001598762441 1017409967 /nfs/dbraw/zinc/40/99/67/1017409967.db2.gz JHVSWODVXLTUKK-WPRPVWTQSA-N -1 0 323.305 -0.532 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C[C@H](O)Cn1cccn1 ZINC001598766690 1017409983 /nfs/dbraw/zinc/40/99/83/1017409983.db2.gz GPWAFQSKFSHOON-WOPDTQHZSA-N -1 0 311.338 -0.418 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCc1cn(C)nn1 ZINC001598765854 1017410149 /nfs/dbraw/zinc/41/01/49/1017410149.db2.gz JQQSGSGCMCKJSN-MWLCHTKSSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cn[nH]c(=O)c1 ZINC001598765316 1017410406 /nfs/dbraw/zinc/41/04/06/1017410406.db2.gz BBBHAXKVDVOZCW-IONNQARKSA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CC1OCCO1 ZINC001598763365 1017410551 /nfs/dbraw/zinc/41/05/51/1017410551.db2.gz QPAQTPXCRIFKRS-RKDXNWHRSA-N -1 0 301.295 -0.386 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cncc(OC)n2)C1 ZINC001598773447 1017411495 /nfs/dbraw/zinc/41/14/95/1017411495.db2.gz AJLKEHIUDQXABK-WPRPVWTQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(=O)cc[nH]1 ZINC001598773151 1017411560 /nfs/dbraw/zinc/41/15/60/1017411560.db2.gz YUPVMFYPWSHIKE-GZMMTYOYSA-N -1 0 308.290 -0.147 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CN1CCOC1=O ZINC001598769381 1017411752 /nfs/dbraw/zinc/41/17/52/1017411752.db2.gz UOUWAXWTSNAVOJ-BDAKNGLRSA-N -1 0 314.294 -0.697 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C[C@@H]1CN(C)C(=O)O1 ZINC001598771938 1017411864 /nfs/dbraw/zinc/41/18/64/1017411864.db2.gz TVODBQVUXWQABF-GUBZILKMSA-N -1 0 300.311 -0.225 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C[C@H](O)C1(O)CCCC1 ZINC001598772938 1017412053 /nfs/dbraw/zinc/41/20/53/1017412053.db2.gz WIRCCILSAJYGJU-SRVKXCTJSA-N -1 0 315.366 -0.009 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)Nc1ccon1 ZINC001598772409 1017412294 /nfs/dbraw/zinc/41/22/94/1017412294.db2.gz UGXVQEOSJSERMB-IUCAKERBSA-N -1 0 311.294 -0.049 20 0 DBADRM Cc1cc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001497538780 1017412313 /nfs/dbraw/zinc/41/23/13/1017412313.db2.gz VSTUSIMPYACKED-ARJAWSKDSA-N -1 0 305.342 -0.372 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001598768695 1017412561 /nfs/dbraw/zinc/41/25/61/1017412561.db2.gz RQZPTVDHSBXBQD-XCBNKYQSSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C[C@H]1CN(C)C(=O)O1 ZINC001598771934 1017412639 /nfs/dbraw/zinc/41/26/39/1017412639.db2.gz TVODBQVUXWQABF-AEJSXWLSSA-N -1 0 300.311 -0.225 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C[C@@H]1CCS(=O)(=O)C1 ZINC001598768232 1017412714 /nfs/dbraw/zinc/41/27/14/1017412714.db2.gz LHKYYFVNXLTLSK-DCAQKATOSA-N -1 0 319.379 -0.241 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)Nc1ccon1 ZINC001598772407 1017412889 /nfs/dbraw/zinc/41/28/89/1017412889.db2.gz UGXVQEOSJSERMB-BDAKNGLRSA-N -1 0 311.294 -0.049 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CN2CCOC2=O)C1 ZINC001598774879 1017413744 /nfs/dbraw/zinc/41/37/44/1017413744.db2.gz MDKQRFPFAPJFSA-RKDXNWHRSA-N -1 0 314.294 -0.697 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1CCS(=O)(=O)N(C)C ZINC001598775761 1017414680 /nfs/dbraw/zinc/41/46/80/1017414680.db2.gz HWRCAWWOSKMBCB-VHSXEESVSA-N -1 0 322.383 -0.784 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(CC(=O)Nc2ccncc2)C1 ZINC001598775282 1017414745 /nfs/dbraw/zinc/41/47/45/1017414745.db2.gz HXWMVFPOZIGXCI-JQWIXIFHSA-N -1 0 321.333 -0.220 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2coc(C(N)=O)c2)C1 ZINC001598773545 1017414833 /nfs/dbraw/zinc/41/48/33/1017414833.db2.gz AWGPGLBQGAQJOK-APPZFPTMSA-N -1 0 324.289 -0.143 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)CN2CCOC2=O)C1 ZINC001598774875 1017414880 /nfs/dbraw/zinc/41/48/80/1017414880.db2.gz MDKQRFPFAPJFSA-DTWKUNHWSA-N -1 0 314.294 -0.697 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1nnn(C)c1C ZINC001598774584 1017414933 /nfs/dbraw/zinc/41/49/33/1017414933.db2.gz ZFVFKENHFNAVTG-DTWKUNHWSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001598782523 1017417322 /nfs/dbraw/zinc/41/73/22/1017417322.db2.gz QDNWSLJADNSPAX-HLTSFMKQSA-N -1 0 321.351 -0.716 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(S(=O)(=O)C2COC2)C1 ZINC001598783363 1017417719 /nfs/dbraw/zinc/41/77/19/1017417719.db2.gz CBZDTPHYQZIQCD-APPZFPTMSA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)C1CCC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1 ZINC001598787528 1017418593 /nfs/dbraw/zinc/41/85/93/1017418593.db2.gz OGSUOLFRMOIRLZ-WOOKNIGNSA-N -1 0 323.367 -0.528 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[C@H]1C ZINC001598788336 1017418670 /nfs/dbraw/zinc/41/86/70/1017418670.db2.gz DRJXPWDYJCNFLI-AXTSPUMRSA-N -1 0 312.322 -0.624 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](CCF)C(=O)[O-])C1=O ZINC001598790710 1017419004 /nfs/dbraw/zinc/41/90/04/1017419004.db2.gz RJIPDQLAZPLVKD-BDAKNGLRSA-N -1 0 318.301 -0.673 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cnn(C)c2N)[C@H](C(=O)[O-])C1 ZINC001598793022 1017419819 /nfs/dbraw/zinc/41/98/19/1017419819.db2.gz GBMMLQNRAQIJTD-CBAPKCEASA-N -1 0 310.310 -0.519 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)[C@H]1C ZINC001598794054 1017421379 /nfs/dbraw/zinc/42/13/79/1017421379.db2.gz OCVBKLVYXBIWSR-UWVGGRQHSA-N -1 0 322.317 -0.044 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@@H](C(=O)[O-])C1 ZINC001598796130 1017421464 /nfs/dbraw/zinc/42/14/64/1017421464.db2.gz SCAPQYXCXDDNJJ-MWLCHTKSSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])C1 ZINC001598793602 1017421869 /nfs/dbraw/zinc/42/18/69/1017421869.db2.gz LMBAZSQSCHSRPS-GUBZILKMSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cc(CO)on2)[C@@H](C(=O)[O-])C1 ZINC001598795126 1017422057 /nfs/dbraw/zinc/42/20/57/1017422057.db2.gz DCCMWPVPPNOVCV-GMSGAONNSA-N -1 0 312.278 -0.355 20 0 DBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001598801043 1017422285 /nfs/dbraw/zinc/42/22/85/1017422285.db2.gz XEWKJXLURWVAFU-MRVPVSSYSA-N -1 0 314.319 -0.037 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@@H]1C(=O)[O-] ZINC001598806150 1017423967 /nfs/dbraw/zinc/42/39/67/1017423967.db2.gz FFGCXXHMEFXRRA-WDEREUQCSA-N -1 0 309.322 -0.168 20 0 DBADRM COC(=O)[C@@H]1CCN2C(=O)N(C[C@H]3C[C@H]3C(=O)[O-])C(=O)[C@@H]2C1 ZINC001598803111 1017424097 /nfs/dbraw/zinc/42/40/97/1017424097.db2.gz IQDHLWYOZAETJS-KYXWUPHJSA-N -1 0 310.306 -0.077 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)OC2=O)C[C@H]1C(=O)[O-] ZINC001598805075 1017424334 /nfs/dbraw/zinc/42/43/34/1017424334.db2.gz BEKPBFHJLANLID-JQCXWYLXSA-N -1 0 314.294 -0.794 20 0 DBADRM COC(=O)[C@H]1CCN1C(=O)[C@H]1C[C@H]1C(=O)N1CC[C@@H]1C(=O)[O-] ZINC001598804727 1017424559 /nfs/dbraw/zinc/42/45/59/1017424559.db2.gz XOWNHFWSAPXQGP-UTINFBMNSA-N -1 0 310.306 -0.918 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H](C)[C@@H]2CCC(=O)N2)C[C@H]1C(=O)[O-] ZINC001598804045 1017424664 /nfs/dbraw/zinc/42/46/64/1017424664.db2.gz RUTDCGQFTCKDFX-KYXWUPHJSA-N -1 0 312.322 -0.767 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)C1CCC(O)CC1 ZINC001497569458 1017424905 /nfs/dbraw/zinc/42/49/05/1017424905.db2.gz SZVPFCROOVIGAI-OWOJBTEDSA-N -1 0 309.370 -0.177 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCCO2)C[C@H]1C(=O)[O-] ZINC001598807377 1017426337 /nfs/dbraw/zinc/42/63/37/1017426337.db2.gz IRGVWFQGBNBAHI-OPRDCNLKSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1C(=O)[O-] ZINC001598809843 1017426429 /nfs/dbraw/zinc/42/64/29/1017426429.db2.gz TXPDXVGKFKRNHD-GMTAPVOTSA-N -1 0 321.333 -0.222 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCc3c[nH]nc3C2)C[C@@H]1C(=O)[O-] ZINC001598810290 1017426480 /nfs/dbraw/zinc/42/64/80/1017426480.db2.gz VYMRMYHTJKMARE-INTQDDNPSA-N -1 0 321.333 -0.153 20 0 DBADRM COC(=O)C1CN(C(=O)[C@@H]2CC[C@@H]2C(=O)N2CC(C(=O)[O-])C2)C1 ZINC001598808118 1017426538 /nfs/dbraw/zinc/42/65/38/1017426538.db2.gz NRPWANUHTSXQGY-WDEREUQCSA-N -1 0 324.333 -0.813 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@@H]1C(=O)[O-] ZINC001598809842 1017426748 /nfs/dbraw/zinc/42/67/48/1017426748.db2.gz TXPDXVGKFKRNHD-GARJFASQSA-N -1 0 321.333 -0.222 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCc2ccnn2C)C[C@H]1C(=O)[O-] ZINC001598812531 1017428341 /nfs/dbraw/zinc/42/83/41/1017428341.db2.gz ZYDIKHKUPOXQSV-GHMZBOCLSA-N -1 0 324.337 -0.522 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCCOC2)C[C@H]1C(=O)[O-] ZINC001598811368 1017428870 /nfs/dbraw/zinc/42/88/70/1017428870.db2.gz WDRYTTAKSIHEBG-GMTAPVOTSA-N -1 0 314.338 -0.072 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCC2=CCCOC2)C[C@@H]1C(=O)[O-] ZINC001598810960 1017429309 /nfs/dbraw/zinc/42/93/09/1017429309.db2.gz VKHZIRAXDQNHIO-QWRGUYRKSA-N -1 0 312.322 -0.152 20 0 DBADRM O=C(CO[C@@H]1CCOC1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497577920 1017429161 /nfs/dbraw/zinc/42/91/61/1017429161.db2.gz FIPPZEMAZRTRDG-JWXWKVPASA-N -1 0 311.342 -0.922 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCC(C)(C)OC)C[C@H]1C(=O)[O-] ZINC001598812251 1017429493 /nfs/dbraw/zinc/42/94/93/1017429493.db2.gz ZQDSLTIPQLTIRQ-BDAKNGLRSA-N -1 0 302.327 -0.073 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2cc(OC)n[nH]2)C[C@@H]1C(=O)[O-] ZINC001598814860 1017429611 /nfs/dbraw/zinc/42/96/11/1017429611.db2.gz JNNUFLFSKXFYMG-BQBZGAKWSA-N -1 0 312.282 -0.244 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2c[nH]c(C(=O)[O-])c2)C[C@@H]1C(=O)OC ZINC001598815929 1017430924 /nfs/dbraw/zinc/43/09/24/1017430924.db2.gz QHIMBIMWWUWMEQ-IUCAKERBSA-N -1 0 324.289 -0.253 20 0 DBADRM COC(=O)[C@H]1CN(C)CCN(C(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001598816923 1017431081 /nfs/dbraw/zinc/43/10/81/1017431081.db2.gz FDVZZSLBIVAGSM-NSHDSACASA-N -1 0 321.333 -0.043 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2cnn(C)c2C)C[C@H]1C(=O)[O-] ZINC001598818338 1017431324 /nfs/dbraw/zinc/43/13/24/1017431324.db2.gz XTFWCSXIBUPYOA-MNOVXSKESA-N -1 0 324.337 -0.256 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2cnn(C)c2)C[C@@H]1C(=O)[O-] ZINC001598815129 1017431511 /nfs/dbraw/zinc/43/15/11/1017431511.db2.gz KPLGLFKORIXTAR-UWVGGRQHSA-N -1 0 310.310 -0.565 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2cnsn2)C[C@@H]1C(=O)[O-] ZINC001598814931 1017431899 /nfs/dbraw/zinc/43/18/99/1017431899.db2.gz NBEZWRWQCQEXTN-WDSKDSINSA-N -1 0 300.296 -0.124 20 0 DBADRM COC(=O)[C@@H]1CS(=O)(=O)CCN1CC1(CC(=O)[O-])CC1 ZINC001598823323 1017433317 /nfs/dbraw/zinc/43/33/17/1017433317.db2.gz CEWPYKOWKYCTOR-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)Nc2nccs2)C[C@H]1C(=O)[O-] ZINC001598820656 1017433484 /nfs/dbraw/zinc/43/34/84/1017433484.db2.gz IPTKQQYDVZWYCW-SFYZADRCSA-N -1 0 313.335 -0.113 20 0 DBADRM COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)CCSCC(=O)[O-] ZINC001598821538 1017434156 /nfs/dbraw/zinc/43/41/56/1017434156.db2.gz ZMVDEUFYOKVOHK-MRVPVSSYSA-N -1 0 318.351 -0.964 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497590100 1017434608 /nfs/dbraw/zinc/43/46/08/1017434608.db2.gz NFWUZEMEELNFGY-XNPJLODASA-N -1 0 310.358 -0.813 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)Nc2nccs2)C[C@H]1C(=O)[O-] ZINC001598820654 1017434852 /nfs/dbraw/zinc/43/48/52/1017434852.db2.gz IPTKQQYDVZWYCW-HTQZYQBOSA-N -1 0 313.335 -0.113 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)NCc2ccco2)C[C@H]1C(=O)[O-] ZINC001598822549 1017435054 /nfs/dbraw/zinc/43/50/54/1017435054.db2.gz QXEGSOSMHJLYCX-MNOVXSKESA-N -1 0 310.306 -0.299 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)C[C@H]1C(=O)[O-] ZINC001598824362 1017436678 /nfs/dbraw/zinc/43/66/78/1017436678.db2.gz GTRUZESJSISDCG-IVZWLZJFSA-N -1 0 321.351 -0.699 20 0 DBADRM COC(=O)[C@@H]1CSCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001598825134 1017436724 /nfs/dbraw/zinc/43/67/24/1017436724.db2.gz LZOHQRGSESDANM-YIZRAAEISA-N -1 0 303.336 -0.264 20 0 DBADRM COC(=O)[C@H]1CSCCN1S(=O)(=O)CCCC(=O)[O-] ZINC001598825966 1017436759 /nfs/dbraw/zinc/43/67/59/1017436759.db2.gz QTJMWKUKLOFGBY-MRVPVSSYSA-N -1 0 311.381 -0.229 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)N2CCCCC2)C[C@@H]1C(=O)[O-] ZINC001598824205 1017436820 /nfs/dbraw/zinc/43/68/20/1017436820.db2.gz GGRYETUYWHCZBD-UWVGGRQHSA-N -1 0 320.367 -0.477 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1C(=O)[O-] ZINC001598823871 1017436837 /nfs/dbraw/zinc/43/68/37/1017436837.db2.gz XSKNLFOPIOWWDS-SFYZADRCSA-N -1 0 310.262 -0.676 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)N(C)CC2CC2)C[C@H]1C(=O)[O-] ZINC001598826114 1017437912 /nfs/dbraw/zinc/43/79/12/1017437912.db2.gz MFRQJTNXLDCQEL-NXEZZACHSA-N -1 0 320.367 -0.621 20 0 DBADRM COC(=O)[C@H]1COCCN1C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001598824825 1017438135 /nfs/dbraw/zinc/43/81/35/1017438135.db2.gz AZTUTNPTJNSMFE-ZYUZMQFOSA-N -1 0 301.295 -0.735 20 0 DBADRM COC(=O)[C@@H]1CSCCN1S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001598826336 1017438169 /nfs/dbraw/zinc/43/81/69/1017438169.db2.gz SGZDXZDIOUJIAE-YUMQZZPRSA-N -1 0 311.381 -0.373 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@@H]1C(=O)[O-] ZINC001598823869 1017438208 /nfs/dbraw/zinc/43/82/08/1017438208.db2.gz XSKNLFOPIOWWDS-JGVFFNPUSA-N -1 0 310.262 -0.676 20 0 DBADRM COC(=O)[C@@H]1CN(c2nccn(C(F)F)c2=O)C[C@@H]1C(=O)[O-] ZINC001598824841 1017438276 /nfs/dbraw/zinc/43/82/76/1017438276.db2.gz BDAPUYSRSNLORK-NKWVEPMBSA-N -1 0 317.248 -0.052 20 0 DBADRM COC(=O)[C@@H]1COCCN1CC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001598828595 1017439810 /nfs/dbraw/zinc/43/98/10/1017439810.db2.gz ROXCIERKWHINIL-QWRGUYRKSA-N -1 0 316.354 -0.524 20 0 DBADRM COC(=O)/C=C/[C@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598832881 1017439827 /nfs/dbraw/zinc/43/98/27/1017439827.db2.gz ZEUJZTNEMIISSY-QEBMPYFUSA-N -1 0 312.322 -0.457 20 0 DBADRM COC(=O)[C@H]1c2ccccc2OCCN1CC(=O)NCC(=O)[O-] ZINC001598830856 1017440703 /nfs/dbraw/zinc/44/07/03/1017440703.db2.gz PVPSSLFKKMWXDL-CQSZACIVSA-N -1 0 322.317 -0.204 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)CCC[C@@H]1CCOC1)C(=O)[O-] ZINC001598841208 1017441617 /nfs/dbraw/zinc/44/16/17/1017441617.db2.gz QHCLMNDIHKEVKI-ZJUUUORDSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)C[C@H](NC(=O)CSc1nncs1)C(=O)[O-] ZINC001598837484 1017441941 /nfs/dbraw/zinc/44/19/41/1017441941.db2.gz OTUGUWMRRYOSDW-YFKPBYRVSA-N -1 0 305.337 -0.237 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cnc2c(c1)nnn2C)C(=O)[O-] ZINC001598840463 1017442112 /nfs/dbraw/zinc/44/21/12/1017442112.db2.gz MNLKBXXTQDJYQD-MRVPVSSYSA-N -1 0 307.266 -0.891 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)CCC[C@H]1CCOC1)C(=O)[O-] ZINC001598841201 1017442129 /nfs/dbraw/zinc/44/21/29/1017442129.db2.gz QHCLMNDIHKEVKI-UWVGGRQHSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccnc(-n2cncn2)c1)C(=O)[O-] ZINC001598840774 1017442421 /nfs/dbraw/zinc/44/24/21/1017442421.db2.gz NBPOWGIHPBFAFA-SECBINFHSA-N -1 0 319.277 -0.592 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccn(CC(F)F)n1)C(=O)[O-] ZINC001598840475 1017442524 /nfs/dbraw/zinc/44/25/24/1017442524.db2.gz MUDSQZLQZKWBSQ-ZETCQYMHSA-N -1 0 305.237 -0.106 20 0 DBADRM COC(=O)C[C@H]1CS(=O)(=O)CCN1C/C(C)=C\C(=O)[O-] ZINC001598844553 1017444040 /nfs/dbraw/zinc/44/40/40/1017444040.db2.gz PDTAVJAPRKCAOM-BSKOKIOFSA-N -1 0 305.352 -0.321 20 0 DBADRM COC(=O)C[C@@]1(NS(=O)(=O)CCCC(=O)[O-])CCOC1 ZINC001598843825 1017444552 /nfs/dbraw/zinc/44/45/52/1017444552.db2.gz OQCLDDROSCSWKB-NSHDSACASA-N -1 0 309.340 -0.507 20 0 DBADRM COC(=O)C[C@@H]1COCCN1Cn1nc(C(=O)[O-])ccc1=O ZINC001598844263 1017444650 /nfs/dbraw/zinc/44/46/50/1017444650.db2.gz GHJCFGHIVAEFFE-SECBINFHSA-N -1 0 311.294 -0.837 20 0 DBADRM COC(=O)C[C@@H]1CN(CCc2cn(CC(=O)[O-])nn2)CCO1 ZINC001598845893 1017444805 /nfs/dbraw/zinc/44/48/05/1017444805.db2.gz XAJNFNBUHFTYBQ-LLVKDONJSA-N -1 0 312.326 -0.831 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)CC(C)(C)CC(=O)[O-] ZINC001598845619 1017444852 /nfs/dbraw/zinc/44/48/52/1017444852.db2.gz JBKROBQYCACBGB-VIFPVBQESA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001598845426 1017445395 /nfs/dbraw/zinc/44/53/95/1017445395.db2.gz GYXIFLCMGCQJPN-KOLCDFICSA-N -1 0 312.322 -0.503 20 0 DBADRM COC(=O)C[C@H]1COCCN1CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001598844368 1017445405 /nfs/dbraw/zinc/44/54/05/1017445405.db2.gz JSULGMKCYWKAEE-GWCFXTLKSA-N -1 0 316.354 -0.524 20 0 DBADRM COC(=O)CC[C@H](C(=O)[O-])N1CCO[C@@H](CNC(C)=O)C1 ZINC001598847574 1017446650 /nfs/dbraw/zinc/44/66/50/1017446650.db2.gz KPFYFMUNLYFBDB-WDEREUQCSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)CCCc1nc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])no1 ZINC001598852746 1017447534 /nfs/dbraw/zinc/44/75/34/1017447534.db2.gz BAMBWJBZKFSHNS-IUCAKERBSA-N -1 0 313.310 -0.415 20 0 DBADRM COC(=O)CCCNC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001598852123 1017447899 /nfs/dbraw/zinc/44/78/99/1017447899.db2.gz JMFHWMQUZLXWGE-DTWKUNHWSA-N -1 0 316.310 -0.545 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CS(=O)(=O)C1CC1)C(=O)[O-] ZINC001598856684 1017449943 /nfs/dbraw/zinc/44/99/43/1017449943.db2.gz SXQPDCDHVPRSEC-MRVPVSSYSA-N -1 0 307.324 -0.914 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cnc(N(C)C)cn1)C(=O)[O-] ZINC001598857348 1017451307 /nfs/dbraw/zinc/45/13/07/1017451307.db2.gz JISWJOIMUBOYTK-MRVPVSSYSA-N -1 0 310.310 -0.321 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)c1ccncc1C(=O)[O-] ZINC001598854661 1017451341 /nfs/dbraw/zinc/45/13/41/1017451341.db2.gz MPBZUWIHOWHYSH-UHFFFAOYSA-N -1 0 310.262 -0.384 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)Cn1nnc2c1CCCC2)C(=O)[O-] ZINC001598857241 1017451442 /nfs/dbraw/zinc/45/14/42/1017451442.db2.gz ZQHRZEVAPDVLMQ-SNVBAGLBSA-N -1 0 324.337 -0.321 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)/C=C\COC1CCOCC1 ZINC001598860374 1017452156 /nfs/dbraw/zinc/45/21/56/1017452156.db2.gz JAQRKSUVOXWUCS-IHWYPQMZSA-N -1 0 315.322 -0.176 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cn1c(=O)oc2ccccc21 ZINC001598859990 1017452183 /nfs/dbraw/zinc/45/21/83/1017452183.db2.gz FBVBYEWDHDQHSM-UHFFFAOYSA-N -1 0 322.273 -0.319 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc(C(=O)OC)no1 ZINC001598860644 1017452512 /nfs/dbraw/zinc/45/25/12/1017452512.db2.gz CNPVHYTXPIQGLP-UHFFFAOYSA-N -1 0 300.223 -0.839 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)C(=O)OC ZINC001598857751 1017452626 /nfs/dbraw/zinc/45/26/26/1017452626.db2.gz LTXLJQYJVGNRAP-SECBINFHSA-N -1 0 312.278 -0.063 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc2n[nH]nc2cc1F ZINC001598861027 1017453444 /nfs/dbraw/zinc/45/34/44/1017453444.db2.gz RNJMVCSIYGENNJ-UHFFFAOYSA-N -1 0 310.241 -0.203 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cc1nnn(C(C)(C)C)n1 ZINC001598860323 1017453663 /nfs/dbraw/zinc/45/36/63/1017453663.db2.gz WTJYDBBPLHNYCM-UHFFFAOYSA-N -1 0 313.314 -0.943 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCCCN1CCOCC1 ZINC001598860166 1017453751 /nfs/dbraw/zinc/45/37/51/1017453751.db2.gz BUQZWFMHMTYEIT-UHFFFAOYSA-N -1 0 316.354 -0.425 20 0 DBADRM COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CC(O)(C(=O)[O-])C2)O1 ZINC001598858684 1017454159 /nfs/dbraw/zinc/45/41/59/1017454159.db2.gz POQXUXKDAMLEFM-DTWKUNHWSA-N -1 0 301.295 -0.855 20 0 DBADRM COC(=O)CN(CCCNC(=O)C(F)(F)F)CC(=O)[O-] ZINC001598862749 1017455697 /nfs/dbraw/zinc/45/56/97/1017455697.db2.gz ZEBWHDAMSLVPPY-UHFFFAOYSA-N -1 0 300.233 -0.385 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc(F)nc1F ZINC001598862981 1017456143 /nfs/dbraw/zinc/45/61/43/1017456143.db2.gz ZMLLEEIRNKEGGC-UHFFFAOYSA-N -1 0 324.261 -0.392 20 0 DBADRM COC(=O)COCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001598864392 1017456412 /nfs/dbraw/zinc/45/64/12/1017456412.db2.gz HPUROZDUKKOQNL-BDAKNGLRSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)CNC(=O)CN1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001598866000 1017458538 /nfs/dbraw/zinc/45/85/38/1017458538.db2.gz YYDDWAWKGFTGRP-VPOLOUISSA-N -1 0 314.338 -0.629 20 0 DBADRM COC(=O)CNC(=O)CN1[C@@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001598865996 1017458957 /nfs/dbraw/zinc/45/89/57/1017458957.db2.gz YYDDWAWKGFTGRP-CHWFTXMASA-N -1 0 314.338 -0.629 20 0 DBADRM COC(=O)COCC(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001598864756 1017459138 /nfs/dbraw/zinc/45/91/38/1017459138.db2.gz OJXINOYACZWQBW-BDAKNGLRSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)C[C@@H](OC(=O)CCC(=O)N1CCOCC1)C(=O)[O-] ZINC001598869691 1017460130 /nfs/dbraw/zinc/46/01/30/1017460130.db2.gz ZMEUKXKXKRVYJZ-SECBINFHSA-N -1 0 317.294 -0.815 20 0 DBADRM COC(=O)N(C)CCCC(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001598876411 1017461070 /nfs/dbraw/zinc/46/10/70/1017461070.db2.gz FTYHBOPVZUQHNF-VIFPVBQESA-N -1 0 313.314 -0.674 20 0 DBADRM COC(=O)N(C)CCCC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001598877251 1017461718 /nfs/dbraw/zinc/46/17/18/1017461718.db2.gz YEIGYCPHQRSNJQ-VHSXEESVSA-N -1 0 302.327 -0.241 20 0 DBADRM COC(=O)NCC(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CC1 ZINC001598883397 1017463121 /nfs/dbraw/zinc/46/31/21/1017463121.db2.gz NVNODPRYQNYMGR-UHFFFAOYSA-N -1 0 323.309 -0.409 20 0 DBADRM COC(=O)NC(C)(C)C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001598882029 1017463547 /nfs/dbraw/zinc/46/35/47/1017463547.db2.gz MIENNYGDFZLURP-SSDOTTSWSA-N -1 0 304.299 -0.547 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001598880489 1017464132 /nfs/dbraw/zinc/46/41/32/1017464132.db2.gz SIKRZERSZYVBIN-VIFPVBQESA-N -1 0 310.310 -0.072 20 0 DBADRM COC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1 ZINC001598885380 1017464905 /nfs/dbraw/zinc/46/49/05/1017464905.db2.gz IJMADUMJRKOLRK-UTINFBMNSA-N -1 0 300.311 -0.179 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001598889395 1017464933 /nfs/dbraw/zinc/46/49/33/1017464933.db2.gz JFHPGPKXUZTFGS-JGVFFNPUSA-N -1 0 302.283 -0.663 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001598884122 1017465246 /nfs/dbraw/zinc/46/52/46/1017465246.db2.gz KBVOVIRLNLLJGK-DJLDLDEBSA-N -1 0 316.310 -0.404 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)/C=C1/SCC(=O)N1C ZINC001598890067 1017465325 /nfs/dbraw/zinc/46/53/25/1017465325.db2.gz IKBOKWKIWZMGGQ-SYNIEDPSSA-N -1 0 316.335 -0.444 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1 ZINC001598884864 1017465371 /nfs/dbraw/zinc/46/53/71/1017465371.db2.gz NQAVWICJVSBMOA-BQBZGAKWSA-N -1 0 300.271 -0.289 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)C12CC(C(=O)OC)(C1)C2 ZINC001598889731 1017465434 /nfs/dbraw/zinc/46/54/34/1017465434.db2.gz QRUMVFMEPJVIIM-IASTZPEPSA-N -1 0 300.263 -0.111 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001598884236 1017465569 /nfs/dbraw/zinc/46/55/69/1017465569.db2.gz QXIDUYLOQPRJDL-BIIVOSGPSA-N -1 0 302.283 -0.937 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001598889991 1017465831 /nfs/dbraw/zinc/46/58/31/1017465831.db2.gz HITLVEVTXJUVOC-OTYXRUKQSA-N -1 0 314.338 -0.042 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CC1(O)CCOCC1 ZINC001598890475 1017465921 /nfs/dbraw/zinc/46/59/21/1017465921.db2.gz QGQSVHZWRAKYGD-SECBINFHSA-N -1 0 303.311 -0.559 20 0 DBADRM COC(=O)[C@@H](C)N(C)C(=O)[C@H](F)C(=O)N(C)[C@H](C)C(=O)[O-] ZINC001598889090 1017466265 /nfs/dbraw/zinc/46/62/65/1017466265.db2.gz QCXBLDUFHMSJLD-BWZBUEFSSA-N -1 0 306.290 -0.724 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001598885105 1017466425 /nfs/dbraw/zinc/46/64/25/1017466425.db2.gz UDFLQHNYVVMTSQ-YUMQZZPRSA-N -1 0 302.283 -0.650 20 0 DBADRM COC(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001598885514 1017466520 /nfs/dbraw/zinc/46/65/20/1017466520.db2.gz XIKWVCNJPSVKGH-UHFFFAOYSA-N -1 0 306.296 -0.079 20 0 DBADRM COC(=O)[C@@H](O)CCNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001598894210 1017468449 /nfs/dbraw/zinc/46/84/49/1017468449.db2.gz QZQJMWVNUXIIFY-NSHDSACASA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)[C@@H]1CO[C@H](CCC(=O)NCCOCC(=O)[O-])C1 ZINC001598900814 1017471364 /nfs/dbraw/zinc/47/13/64/1017471364.db2.gz YPHRYYNSRLWBID-VHSXEESVSA-N -1 0 303.311 -0.438 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC001598893152 1017468640 /nfs/dbraw/zinc/46/86/40/1017468640.db2.gz STEUGIBSXDJTRX-HRDYMLBCSA-N -1 0 317.294 -0.770 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N(CC(=O)[O-])C2CCOCC2)O1 ZINC001598896760 1017468957 /nfs/dbraw/zinc/46/89/57/1017468957.db2.gz BWUJJHCJFJZVEP-MNOVXSKESA-N -1 0 315.322 -0.201 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001598894717 1017468977 /nfs/dbraw/zinc/46/89/77/1017468977.db2.gz NXTALUMZDUBXEJ-QMMMGPOBSA-N -1 0 301.274 -0.011 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)CCn1cccn1 ZINC001598892985 1017469203 /nfs/dbraw/zinc/46/92/03/1017469203.db2.gz IOGQWKXTNQZISY-SECBINFHSA-N -1 0 319.339 -0.791 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)n[nH]c1C ZINC001598894027 1017469449 /nfs/dbraw/zinc/46/94/49/1017469449.db2.gz UJFQRCRWPYGDPR-MRVPVSSYSA-N -1 0 319.339 -0.289 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cnc2n[nH]nc2c1 ZINC001598892580 1017469507 /nfs/dbraw/zinc/46/95/07/1017469507.db2.gz BTMKAFVJJPLBOW-SSDOTTSWSA-N -1 0 307.266 -0.511 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1csc(C(=O)[O-])n1 ZINC001598901360 1017470627 /nfs/dbraw/zinc/47/06/27/1017470627.db2.gz GEXPZWCLXJWLSM-CAHLUQPWSA-N -1 0 300.292 -0.098 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001598900798 1017470889 /nfs/dbraw/zinc/47/08/89/1017470889.db2.gz XQDCXPDINBTKPU-IMSYWVGJSA-N -1 0 321.351 -0.822 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001598900165 1017471939 /nfs/dbraw/zinc/47/19/39/1017471939.db2.gz ISJRZRGWERNULR-RKDXNWHRSA-N -1 0 305.352 -0.030 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)OCc2cnc(C(=O)[O-])cn2)O1 ZINC001598897628 1017472102 /nfs/dbraw/zinc/47/21/02/1017472102.db2.gz HAZFEVYLKHZIJX-VHSXEESVSA-N -1 0 310.262 -0.061 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)C1 ZINC001598907687 1017474319 /nfs/dbraw/zinc/47/43/19/1017474319.db2.gz YOBAXFQUJKUGFU-QEYWKRMJSA-N -1 0 312.322 -0.624 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598904000 1017475116 /nfs/dbraw/zinc/47/51/16/1017475116.db2.gz WVVRPDTVLAWUNH-PGUXBMHVSA-N -1 0 307.302 -0.105 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN2CC(=O)N(C)[C@H](C)C2)n1 ZINC001598925045 1017476289 /nfs/dbraw/zinc/47/62/89/1017476289.db2.gz PLUSHHQIKAOOFP-MRVPVSSYSA-N -1 0 310.310 -0.512 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN(C)[C@H]2C[C@@H](C(N)=O)C2)n1 ZINC001598924496 1017476676 /nfs/dbraw/zinc/47/66/76/1017476676.db2.gz FILCGFWIEDJNJU-OCAPTIKFSA-N -1 0 310.310 -0.479 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001598911366 1017476803 /nfs/dbraw/zinc/47/68/03/1017476803.db2.gz FVLLFNYOWOUQLB-LJGSYFOKSA-N -1 0 317.323 -0.354 20 0 DBADRM COC(=O)c1cc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)ccn1 ZINC001598917227 1017476829 /nfs/dbraw/zinc/47/68/29/1017476829.db2.gz FTWZXNYUUWKNFP-VHSXEESVSA-N -1 0 308.290 -0.224 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@@]12CCOC2 ZINC001497721938 1017477221 /nfs/dbraw/zinc/47/72/21/1017477221.db2.gz HPZDZCBMSJKKRV-KXDPZOFYSA-N -1 0 307.354 -0.301 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN(C)Cc1nncn1C ZINC001598925097 1017477464 /nfs/dbraw/zinc/47/74/64/1017477464.db2.gz NYPJHKYSIHKARU-UHFFFAOYSA-N -1 0 308.298 -0.414 20 0 DBADRM COC(=O)c1c(OCCO)n[nH]c1NC(=O)[C@H](C)CC(=O)[O-] ZINC001598917073 1017477737 /nfs/dbraw/zinc/47/77/37/1017477737.db2.gz ZMKOGCWORGAMKF-ZCFIWIBFSA-N -1 0 315.282 -0.383 20 0 DBADRM COC(=O)c1cc(C(=O)NCCn2cc(C(=O)[O-])nn2)c[nH]1 ZINC001598919519 1017477771 /nfs/dbraw/zinc/47/77/71/1017477771.db2.gz FXNQXLCVKMKESG-UHFFFAOYSA-N -1 0 307.266 -0.479 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@]12CCOC2 ZINC001497721941 1017477757 /nfs/dbraw/zinc/47/77/57/1017477757.db2.gz HPZDZCBMSJKKRV-PRPQOMGZSA-N -1 0 307.354 -0.301 20 0 DBADRM COC(=O)[C@H]1C[C@H](NS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC001598909312 1017477986 /nfs/dbraw/zinc/47/79/86/1017477986.db2.gz YMBWCPDLYJVIJH-LJGSYFOKSA-N -1 0 317.323 -0.354 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])n(C)n1 ZINC001598920186 1017478034 /nfs/dbraw/zinc/47/80/34/1017478034.db2.gz MHGZVUDJSBYRJJ-MRVPVSSYSA-N -1 0 311.294 -0.478 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(Cc2nnc3n2CCOC3)n1 ZINC001598922745 1017478177 /nfs/dbraw/zinc/47/81/77/1017478177.db2.gz HMLQIPVKILNDSX-UHFFFAOYSA-N -1 0 307.266 -0.462 20 0 DBADRM COC(=O)c1[nH]cc(C(=O)[O-])c1NC(=O)C[C@@H]1CCNC1=O ZINC001598912380 1017478187 /nfs/dbraw/zinc/47/81/87/1017478187.db2.gz KGBXOWGSIMHBOJ-LURJTMIESA-N -1 0 309.278 -0.036 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)n(C)n1 ZINC001598920043 1017478214 /nfs/dbraw/zinc/47/82/14/1017478214.db2.gz QAFSJRPZUFBXBW-ZDUSSCGKSA-N -1 0 311.294 -0.430 20 0 DBADRM COC(=O)c1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)c[nH]1 ZINC001598918680 1017478294 /nfs/dbraw/zinc/47/82/94/1017478294.db2.gz XLZRTYCUGXQYBM-RKDXNWHRSA-N -1 0 324.289 -0.253 20 0 DBADRM COC(=O)c1cc(NC(=O)NCCOCC(=O)[O-])nn1C ZINC001598945463 1017480247 /nfs/dbraw/zinc/48/02/47/1017480247.db2.gz WTMDVWIPEBSEDU-UHFFFAOYSA-N -1 0 300.271 -0.571 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])cn1C ZINC001598955660 1017480636 /nfs/dbraw/zinc/48/06/36/1017480636.db2.gz LCDXHNVNQMANLT-BDAKNGLRSA-N -1 0 316.335 -0.047 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)n[nH]1 ZINC001598950861 1017480784 /nfs/dbraw/zinc/48/07/84/1017480784.db2.gz ITLKURUQMHGVAH-KPCSLPGQSA-N -1 0 315.307 -0.853 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])cs1 ZINC001598953074 1017481216 /nfs/dbraw/zinc/48/12/16/1017481216.db2.gz DWHUNZLXQMNQQQ-LURJTMIESA-N -1 0 323.348 -0.351 20 0 DBADRM COC(=O)c1ccc(NC(=O)NC[C@@]2(C(=O)[O-])CCOC2)nn1 ZINC001598979824 1017483357 /nfs/dbraw/zinc/48/33/57/1017483357.db2.gz GTZSXGUJVYMYMV-ZDUSSCGKSA-N -1 0 324.293 -0.124 20 0 DBADRM COC(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC001598991424 1017483963 /nfs/dbraw/zinc/48/39/63/1017483963.db2.gz LPEPAFLQCIPGLV-NSHDSACASA-N -1 0 320.301 -0.112 20 0 DBADRM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)O ZINC001598970749 1017483971 /nfs/dbraw/zinc/48/39/71/1017483971.db2.gz UNIUEMAXUFFPTH-ZETCQYMHSA-N -1 0 317.319 -0.170 20 0 DBADRM COC(=O)c1ccc(NC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)nn1 ZINC001598982326 1017484052 /nfs/dbraw/zinc/48/40/52/1017484052.db2.gz XBEVJWCVYUXTNK-APPZFPTMSA-N -1 0 324.293 -0.031 20 0 DBADRM COC(=O)c1ccc(CC(=O)OCC(=O)NCC(=O)[O-])cc1 ZINC001598983370 1017484137 /nfs/dbraw/zinc/48/41/37/1017484137.db2.gz AOPZXLXSSBLQTB-UHFFFAOYSA-N -1 0 309.274 -0.240 20 0 DBADRM COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])nc1 ZINC001598967151 1017484180 /nfs/dbraw/zinc/48/41/80/1017484180.db2.gz CLBKINAWHCJSBU-SSDOTTSWSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)c1cccc(C(=O)NCCC(=O)NCCC(=O)[O-])n1 ZINC001598992316 1017484547 /nfs/dbraw/zinc/48/45/47/1017484547.db2.gz QUMCKJHNZLVICY-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM COC(=O)c1cccn(CC(=O)N[C@H](C)/C=C\C(=O)[O-])c1=O ZINC001599002587 1017484648 /nfs/dbraw/zinc/48/46/48/1017484648.db2.gz RGVWWDVMWYFZHK-SSJHQANKSA-N -1 0 308.290 -0.220 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001599007591 1017485955 /nfs/dbraw/zinc/48/59/55/1017485955.db2.gz MILMZHCAACRFBA-NXEZZACHSA-N -1 0 309.278 -0.687 20 0 DBADRM COC(=O)c1ccnc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])n1 ZINC001599005786 1017486219 /nfs/dbraw/zinc/48/62/19/1017486219.db2.gz DVSJFRAFGRZAAF-SECBINFHSA-N -1 0 308.294 -0.567 20 0 DBADRM COC(=O)c1ccnc(N2CCC[C@H]2C(=O)NCC(=O)[O-])n1 ZINC001599005788 1017486708 /nfs/dbraw/zinc/48/67/08/1017486708.db2.gz DVSJFRAFGRZAAF-VIFPVBQESA-N -1 0 308.294 -0.567 20 0 DBADRM COC(=O)c1cnc(C(=O)N[C@]2(C(=O)[O-])CCSC2)cn1 ZINC001599007179 1017486887 /nfs/dbraw/zinc/48/68/87/1017486887.db2.gz FMHXWDLIHJTOIB-GFCCVEGCSA-N -1 0 311.319 -0.047 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cn1 ZINC001599007594 1017487500 /nfs/dbraw/zinc/48/75/00/1017487500.db2.gz MILMZHCAACRFBA-ZJUUUORDSA-N -1 0 309.278 -0.687 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001599004933 1017487752 /nfs/dbraw/zinc/48/77/52/1017487752.db2.gz PQIJSIPUMKIHOJ-NSHDSACASA-N -1 0 319.291 -0.724 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)N(C)[C@@H](C)C(=O)[O-] ZINC001599017647 1017489140 /nfs/dbraw/zinc/48/91/40/1017489140.db2.gz WSYUMINIRGOARJ-ZETCQYMHSA-N -1 0 300.267 -0.091 20 0 DBADRM CO[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC001599027497 1017489350 /nfs/dbraw/zinc/48/93/50/1017489350.db2.gz BPEZHVZWXAMQJJ-QEYWKRMJSA-N -1 0 302.327 -0.868 20 0 DBADRM CO[C@H](C(=O)NCCn1cc(C(=O)[O-])nn1)c1cnn(C)c1 ZINC001599027927 1017490012 /nfs/dbraw/zinc/49/00/12/1017490012.db2.gz GLETWAPEOUHUOV-JTQLQIEISA-N -1 0 308.298 -0.786 20 0 DBADRM COC(=O)c1ncoc1CCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001599016758 1017490276 /nfs/dbraw/zinc/49/02/76/1017490276.db2.gz IOWZIOSSPOCRPP-SFYZADRCSA-N -1 0 312.278 -0.560 20 0 DBADRM COC(=O)c1cncc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])c1 ZINC001599010968 1017490617 /nfs/dbraw/zinc/49/06/17/1017490617.db2.gz LDDHJSGQOLQIED-VIFPVBQESA-N -1 0 320.298 -0.041 20 0 DBADRM CO[C@H](C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-])[C@H]1CCOC1 ZINC001599023424 1017490822 /nfs/dbraw/zinc/49/08/22/1017490822.db2.gz HTVJEIWSROBXGG-UMNHJUIQSA-N -1 0 314.338 -0.770 20 0 DBADRM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)O ZINC001599018989 1017490836 /nfs/dbraw/zinc/49/08/36/1017490836.db2.gz XRXIIYXVUOWIHA-RXMQYKEDSA-N -1 0 323.348 -0.108 20 0 DBADRM COC(=O)c1cnc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])nc1 ZINC001599009938 1017490955 /nfs/dbraw/zinc/49/09/55/1017490955.db2.gz BCBHCCAUTPATRR-SECBINFHSA-N -1 0 308.294 -0.567 20 0 DBADRM CO[C@H](C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O)[C@@H]1CCOC1 ZINC001599028957 1017491802 /nfs/dbraw/zinc/49/18/02/1017491802.db2.gz HEQORKYUPAZWLP-SCVCMEIPSA-N -1 0 315.322 -0.343 20 0 DBADRM COC(C)(C)C[C@H](C)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001599033364 1017492016 /nfs/dbraw/zinc/49/20/16/1017492016.db2.gz SJWISZNVVBLDEL-VHSXEESVSA-N -1 0 316.354 -0.382 20 0 DBADRM CO[C@H](C(=O)OC(C)(C)C)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599031501 1017492184 /nfs/dbraw/zinc/49/21/84/1017492184.db2.gz ZQXUCASNWGOSFN-UTLUCORTSA-N -1 0 317.338 -0.363 20 0 DBADRM CO[C@H](C(=O)NC[C@H](O)CNc1ncc(C(=O)[O-])cn1)C1CC1 ZINC001599028015 1017492704 /nfs/dbraw/zinc/49/27/04/1017492704.db2.gz HRYDJBONVFKHKP-QWRGUYRKSA-N -1 0 324.337 -0.511 20 0 DBADRM CO[C@@H](C(=O)OC(C)(C)C)C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001599031292 1017492743 /nfs/dbraw/zinc/49/27/43/1017492743.db2.gz YFYLKXOHNRNCIT-OQPBUACISA-N -1 0 303.311 -0.609 20 0 DBADRM CO[C@@](C)(CO)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001599034710 1017493148 /nfs/dbraw/zinc/49/31/48/1017493148.db2.gz MIDRGYLMGNOVNN-OAHLLOKOSA-N -1 0 324.333 -0.234 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ccnc(C(=O)[O-])n1 ZINC001599035327 1017493379 /nfs/dbraw/zinc/49/33/79/1017493379.db2.gz AJIVWFZNTIDHGW-VHSXEESVSA-N -1 0 324.337 -0.469 20 0 DBADRM CO[C@@H](CC(C)C)CS(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC001599045641 1017494549 /nfs/dbraw/zinc/49/45/49/1017494549.db2.gz SCISYZWRIDSZIS-VIFPVBQESA-N -1 0 310.372 -0.832 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)c1c[nH]c(C(N)=O)c1)OC ZINC001599045729 1017495967 /nfs/dbraw/zinc/49/59/67/1017495967.db2.gz RXGIKCVJOWHOPU-UHFFFAOYSA-N -1 0 313.310 -0.351 20 0 DBADRM CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@H](CO)C(=O)[O-] ZINC001599051504 1017497548 /nfs/dbraw/zinc/49/75/48/1017497548.db2.gz OTHYNBGSJGHIFL-DTWKUNHWSA-N -1 0 320.342 -0.522 20 0 DBADRM CO[C@H](CS(=O)(=O)NC/C=C(\C)C(=O)[O-])[C@H]1CCOC1 ZINC001599056301 1017497608 /nfs/dbraw/zinc/49/76/08/1017497608.db2.gz MRECYXJSOLFPRW-WSAUGYEQSA-N -1 0 307.368 -0.012 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001599055414 1017497634 /nfs/dbraw/zinc/49/76/34/1017497634.db2.gz FWDACEXEOXCNAO-GWOFURMSSA-N -1 0 307.368 -0.180 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)C(C)C ZINC001599049668 1017497758 /nfs/dbraw/zinc/49/77/58/1017497758.db2.gz BHQUQGFXXMHYEB-HBNTYKKESA-N -1 0 316.354 -0.932 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)C(F)(F)F ZINC001599048809 1017498048 /nfs/dbraw/zinc/49/80/48/1017498048.db2.gz CFXRKOAYVXTYSK-HTQZYQBOSA-N -1 0 324.255 -0.031 20 0 DBADRM CO[C@H](CNC(=O)N1CC[C@](OC)(C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001599051337 1017498057 /nfs/dbraw/zinc/49/80/57/1017498057.db2.gz FXWQLKWXOFWRMT-JTNHKYCSSA-N -1 0 316.354 -0.077 20 0 DBADRM CO[C@@H](CNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001599050951 1017498301 /nfs/dbraw/zinc/49/83/01/1017498301.db2.gz DIEIQFJWXYSISH-USZNOCQGSA-N -1 0 316.354 -0.079 20 0 DBADRM CO[C@H](CS(=O)(=O)NC/C=C(/C)C(=O)[O-])[C@H]1CCOC1 ZINC001599056297 1017498325 /nfs/dbraw/zinc/49/83/25/1017498325.db2.gz MRECYXJSOLFPRW-CHFYJCTLSA-N -1 0 307.368 -0.012 20 0 DBADRM CO[C@H](CN1C(=O)N[C@H](CCC(=O)[O-])C1=O)[C@H]1CCOC1 ZINC001599048558 1017499009 /nfs/dbraw/zinc/49/90/09/1017499009.db2.gz UYFVGZDKSLGKJO-IVZWLZJFSA-N -1 0 300.311 -0.177 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@H]1CCOC1 ZINC001599058349 1017500156 /nfs/dbraw/zinc/50/01/56/1017500156.db2.gz LAZMTKTXUSVNDT-DCAQKATOSA-N -1 0 307.368 -0.083 20 0 DBADRM CO[C@H](CS(=O)(=O)NC1(C(=O)[O-])CC1)C1CCOCC1 ZINC001599057800 1017500300 /nfs/dbraw/zinc/50/03/00/1017500300.db2.gz VFVPNGTZIBAENS-SNVBAGLBSA-N -1 0 307.368 -0.035 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-])C(C)C ZINC001599060758 1017500313 /nfs/dbraw/zinc/50/03/13/1017500313.db2.gz YQCNKPFDOPMSTH-HBNTYKKESA-N -1 0 309.384 -0.103 20 0 DBADRM COC(OC)[C@@H](C)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599062714 1017500404 /nfs/dbraw/zinc/50/04/04/1017500404.db2.gz XKYWITQNLYSSDU-MRVPVSSYSA-N -1 0 305.331 -0.726 20 0 DBADRM COC1(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)CS(=O)(=O)C1 ZINC001599061846 1017501524 /nfs/dbraw/zinc/50/15/24/1017501524.db2.gz FWSFLEGNWWWEFC-QMMMGPOBSA-N -1 0 323.392 -0.924 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CC2CC1(C(=O)[O-])C2)[C@H]1CCOC1 ZINC001599057070 1017500687 /nfs/dbraw/zinc/50/06/87/1017500687.db2.gz FQGJFWDZVAGMRK-ZRZGDYATSA-N -1 0 319.379 -0.083 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC001599066098 1017502394 /nfs/dbraw/zinc/50/23/94/1017502394.db2.gz AVDZIABNRCSWQK-CQSZACIVSA-N -1 0 324.337 -0.322 20 0 DBADRM COC1(C(=O)NCc2cccc(C(=O)[O-])c2)CS(=O)(=O)C1 ZINC001599063499 1017502704 /nfs/dbraw/zinc/50/27/04/1017502704.db2.gz MTYKQSOIBLQLCQ-UHFFFAOYSA-N -1 0 313.331 -0.185 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCCSCC2)C1 ZINC001599065967 1017503194 /nfs/dbraw/zinc/50/31/94/1017503194.db2.gz KLGIHKHCEHWAHG-CYBMUJFWSA-N -1 0 316.379 -0.346 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001599065832 1017503677 /nfs/dbraw/zinc/50/36/77/1017503677.db2.gz OPDBOZJPEBPDRV-VDDIYKPWSA-N -1 0 307.368 -0.242 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@]2(C)CCCO2)C1 ZINC001599066824 1017504357 /nfs/dbraw/zinc/50/43/57/1017504357.db2.gz OHMIZVLRVOHMMN-KBPBESRZSA-N -1 0 314.338 -0.626 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)Cc2cccnc2)C1 ZINC001599069260 1017504444 /nfs/dbraw/zinc/50/44/44/1017504444.db2.gz SPNXVPROCVUHJC-HNNXBMFYSA-N -1 0 321.333 -0.258 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NC2CN(c3ccncn3)C2)C1 ZINC001599072567 1017506547 /nfs/dbraw/zinc/50/65/47/1017506547.db2.gz OUVTYGJINBNXRP-AWEZNQCLSA-N -1 0 321.337 -0.450 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCCS(=O)(=O)C(C)C)C1 ZINC001599071660 1017507070 /nfs/dbraw/zinc/50/70/70/1017507070.db2.gz VXJAAROPSRXVFR-LBPRGKRZSA-N -1 0 322.383 -0.305 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001599071949 1017507110 /nfs/dbraw/zinc/50/71/10/1017507110.db2.gz ZLDSQZIDCXNKCS-BXKDBHETSA-N -1 0 320.367 -0.599 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCc2ccncc2)C1 ZINC001599069737 1017507240 /nfs/dbraw/zinc/50/72/40/1017507240.db2.gz QFIOEBMJTATHRQ-HNNXBMFYSA-N -1 0 321.333 -0.558 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCN(C(C)C)C2=O)C1 ZINC001599072485 1017507516 /nfs/dbraw/zinc/50/75/16/1017507516.db2.gz NRBBJLHDWDRSBJ-QMTHXVAHSA-N -1 0 313.354 -0.119 20 0 DBADRM COC1(C(=O)Nc2cnn(CC(=O)[O-])c2C)CS(=O)(=O)C1 ZINC001599069646 1017507639 /nfs/dbraw/zinc/50/76/39/1017507639.db2.gz WOCIEUUFKXNXGT-UHFFFAOYSA-N -1 0 317.323 -0.972 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cncc(F)c2)C1 ZINC001599070270 1017507782 /nfs/dbraw/zinc/50/77/82/1017507782.db2.gz TWSATSPGQZRJJL-ZDUSSCGKSA-N -1 0 311.269 -0.139 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN([C@@H]2CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC001599076361 1017508951 /nfs/dbraw/zinc/50/89/51/1017508951.db2.gz MMNGLKFEDNCMDA-RDDDGLTNSA-N -1 0 324.255 -0.148 20 0 DBADRM COC1(CO)CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001599091954 1017512084 /nfs/dbraw/zinc/51/20/84/1017512084.db2.gz UVGRTCDXUHRVPU-GHMZBOCLSA-N -1 0 316.354 -0.341 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2C[C@]2(C)CCCO2)C1 ZINC001599082425 1017512736 /nfs/dbraw/zinc/51/27/36/1017512736.db2.gz YQJWDCXFBIWGOL-QWHCGFSZSA-N -1 0 311.342 -0.078 20 0 DBADRM COC1(CC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CCC1 ZINC001599087690 1017513046 /nfs/dbraw/zinc/51/30/46/1017513046.db2.gz WKNBWZWYJAXXOJ-TVQRCGJNSA-N -1 0 319.379 -0.050 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnnn2C[C@@H]2CCCCO2)C1 ZINC001599082411 1017513675 /nfs/dbraw/zinc/51/36/75/1017513675.db2.gz YPBINQQHMYHZAN-GWCFXTLKSA-N -1 0 311.342 -0.078 20 0 DBADRM COC1(CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CCOCC1 ZINC001599092598 1017514066 /nfs/dbraw/zinc/51/40/66/1017514066.db2.gz YJWPGWBEYGWQAB-VHSXEESVSA-N -1 0 323.367 -0.657 20 0 DBADRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)[C@H]2COC(=O)N2)C(=O)[O-])C1 ZINC001599106049 1017515281 /nfs/dbraw/zinc/51/52/81/1017515281.db2.gz DQTIFLGLPBNQEE-KYXWUPHJSA-N -1 0 300.311 -0.131 20 0 DBADRM COC12CCC(C(=O)NCC(=O)NCC(=O)[O-])(CC1)C(=O)C2 ZINC001599093900 1017516679 /nfs/dbraw/zinc/51/66/79/1017516679.db2.gz XLIXSTROZFBYGK-UHFFFAOYSA-N -1 0 312.322 -0.778 20 0 DBADRM CO[C@H]1CCN(C(=O)CCN2CCOC2=O)[C@H](C(=O)[O-])C1 ZINC001599120759 1017517572 /nfs/dbraw/zinc/51/75/72/1017517572.db2.gz XMFKQDMOYDFJOR-UWVGGRQHSA-N -1 0 300.311 -0.081 20 0 DBADRM CO[C@H]1CCN(Cc2ccc(S(N)(=O)=O)o2)[C@@H](C(=O)[O-])C1 ZINC001599122711 1017517662 /nfs/dbraw/zinc/51/76/62/1017517662.db2.gz CRWFKIFNRUBYER-WCBMZHEXSA-N -1 0 318.351 -0.009 20 0 DBADRM CO[C@H]1CCN(C(=O)CCCS(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC001599120697 1017518360 /nfs/dbraw/zinc/51/83/60/1017518360.db2.gz WXLZCIHMEVKIPM-VHSXEESVSA-N -1 0 307.368 -0.098 20 0 DBADRM CO[C@H]1CCN(C(=O)CCN2CCOCC2)[C@@H](C(=O)[O-])C1 ZINC001599120710 1017518455 /nfs/dbraw/zinc/51/84/55/1017518455.db2.gz XCFWAKMTIHNITC-NWDGAFQWSA-N -1 0 300.355 -0.201 20 0 DBADRM CO[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC001599120589 1017519208 /nfs/dbraw/zinc/51/92/08/1017519208.db2.gz WNJQHPFYEWOGGU-RKDXNWHRSA-N -1 0 308.356 -0.984 20 0 DBADRM CO[C@@H]1CCN(C(=O)CC2C(=O)N=CNC2=O)[C@@H](C(=O)[O-])C1 ZINC001599118311 1017519025 /nfs/dbraw/zinc/51/90/25/1017519025.db2.gz BVCWJASRLUSTAT-VXNVDRBHSA-N -1 0 311.294 -0.479 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)[C@@](C)(C(=O)[O-])C1 ZINC001599132444 1017519937 /nfs/dbraw/zinc/51/99/37/1017519937.db2.gz XVWDVARBBJRVKY-GBIKHYSHSA-N -1 0 319.379 -0.098 20 0 DBADRM CO[C@H]1CCN(CC(=O)N(C)Cc2cnn(C)c2)[C@@H](C(=O)[O-])C1 ZINC001599124608 1017520150 /nfs/dbraw/zinc/52/01/50/1017520150.db2.gz WUJIXBGQVZSVPX-QWHCGFSZSA-N -1 0 324.381 -0.058 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCOC2)[C@H](C(=O)[O-])C1 ZINC001599124537 1017520592 /nfs/dbraw/zinc/52/05/92/1017520592.db2.gz PRZNXUSOPVGEGD-MXWKQRLJSA-N -1 0 307.368 -0.083 20 0 DBADRM CO[C@@H]1CCN(Cc2coc(S(N)(=O)=O)c2)[C@@H](C(=O)[O-])C1 ZINC001599125120 1017521798 /nfs/dbraw/zinc/52/17/98/1017521798.db2.gz VVQSEASYAWGNMS-NXEZZACHSA-N -1 0 318.351 -0.009 20 0 DBADRM CO[C@H]1CCN(Cc2nnc3c(=O)[nH]ccn23)[C@H](C(=O)[O-])C1 ZINC001599124216 1017521978 /nfs/dbraw/zinc/52/19/78/1017521978.db2.gz PARYAGQNLQMRKB-IUCAKERBSA-N -1 0 307.310 -0.518 20 0 DBADRM CO[C@H]1CN(C(=O)Cc2nc3ncccn3n2)[C@@](C)(C(=O)[O-])C1 ZINC001599136075 1017523002 /nfs/dbraw/zinc/52/30/02/1017523002.db2.gz YVLCKHCKQHPRHN-YMTOWFKASA-N -1 0 319.321 -0.243 20 0 DBADRM CO[C@@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)[C@](C)(C(=O)[O-])C1 ZINC001599135631 1017523309 /nfs/dbraw/zinc/52/33/09/1017523309.db2.gz VQDXGWLMPQWCIL-NHYWBVRUSA-N -1 0 323.349 -0.049 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CCO1 ZINC001599136561 1017524012 /nfs/dbraw/zinc/52/40/12/1017524012.db2.gz KCPVYTGZSOKOBF-SNVBAGLBSA-N -1 0 302.308 -0.227 20 0 DBADRM CO[C@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)[C@@](C)(C(=O)[O-])C1 ZINC001599135630 1017524611 /nfs/dbraw/zinc/52/46/11/1017524611.db2.gz VQDXGWLMPQWCIL-IAQYHMDHSA-N -1 0 323.349 -0.049 20 0 DBADRM COCC(=O)N1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001599140112 1017525164 /nfs/dbraw/zinc/52/51/64/1017525164.db2.gz VOFZIGZCGLYCQH-UHFFFAOYSA-N -1 0 320.367 -0.886 20 0 DBADRM COCC(=O)N(C)CC(=O)O[C@@H](C)C(=O)C(C)(C)C(=O)[O-] ZINC001599140902 1017527816 /nfs/dbraw/zinc/52/78/16/1017527816.db2.gz GYSBARGUTUQLRJ-QMMMGPOBSA-N -1 0 303.311 -0.297 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cccc(C(=O)[O-])n1 ZINC001599139518 1017525254 /nfs/dbraw/zinc/52/52/54/1017525254.db2.gz LFDSWFPKEHRYFX-VHSXEESVSA-N -1 0 314.319 -0.678 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cccc(C(=O)[O-])n1 ZINC001599139513 1017526593 /nfs/dbraw/zinc/52/65/93/1017526593.db2.gz LFDSWFPKEHRYFX-NXEZZACHSA-N -1 0 314.319 -0.678 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001599137649 1017526704 /nfs/dbraw/zinc/52/67/04/1017526704.db2.gz HLWOKUAWYIPFIL-HBNTYKKESA-N -1 0 314.338 -0.818 20 0 DBADRM COCC(=O)N(C)CC(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC001599142033 1017527574 /nfs/dbraw/zinc/52/75/74/1017527574.db2.gz WUSQNMRYFAVMDA-TVQRCGJNSA-N -1 0 302.327 -0.818 20 0 DBADRM COCC(=O)NC[C@@H]1COCCN1c1ncc(C(=O)[O-])cn1 ZINC001599142479 1017527891 /nfs/dbraw/zinc/52/78/91/1017527891.db2.gz CSTAKOLWWBXEMZ-SNVBAGLBSA-N -1 0 310.310 -0.857 20 0 DBADRM COCC(=O)N(C)CC(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1 ZINC001599140494 1017528016 /nfs/dbraw/zinc/52/80/16/1017528016.db2.gz AEAGAVGDMHRWFG-QMMMGPOBSA-N -1 0 314.298 -0.928 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccccc1C(=O)[O-] ZINC001599141530 1017528793 /nfs/dbraw/zinc/52/87/93/1017528793.db2.gz WJZNPDDNZLIQAL-MNOVXSKESA-N -1 0 313.331 -0.073 20 0 DBADRM COCC(=O)N(C)CC(=O)N1CCCC[C@]1(COC)C(=O)[O-] ZINC001599141485 1017528878 /nfs/dbraw/zinc/52/88/78/1017528878.db2.gz ORSFKAUPUVLCBK-AWEZNQCLSA-N -1 0 316.354 -0.427 20 0 DBADRM COCC(=O)NCCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001599142788 1017529198 /nfs/dbraw/zinc/52/91/98/1017529198.db2.gz IIWGJAULBWRMGR-IINYFYTJSA-N -1 0 314.338 -0.911 20 0 DBADRM COCC(=O)NCCC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC001599143534 1017529206 /nfs/dbraw/zinc/52/92/06/1017529206.db2.gz WIPAOLRESQUTDS-NXEZZACHSA-N -1 0 302.327 -0.770 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-] ZINC001599154956 1017532134 /nfs/dbraw/zinc/53/21/34/1017532134.db2.gz BYWDJVMMKBWJGB-LBPRGKRZSA-N -1 0 316.335 -0.447 20 0 DBADRM COC[C@](C)(NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC001599153402 1017532193 /nfs/dbraw/zinc/53/21/93/1017532193.db2.gz WKKQXVGCTCBXBI-ZDMBXUJBSA-N -1 0 302.327 -0.595 20 0 DBADRM COC[C@@](C)(O)CNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001599156128 1017532249 /nfs/dbraw/zinc/53/22/49/1017532249.db2.gz YKHOEHKEZVGWNC-NSHDSACASA-N -1 0 304.324 -0.545 20 0 DBADRM COC[C@@](C)(O)CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001599156741 1017534122 /nfs/dbraw/zinc/53/41/22/1017534122.db2.gz PMPHCOSSZMCGCH-LBPRGKRZSA-N -1 0 324.399 -0.595 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001599160077 1017534959 /nfs/dbraw/zinc/53/49/59/1017534959.db2.gz PAWIHQYWKOYPJN-AEJSXWLSSA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@](C)(O)C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001599156248 1017535100 /nfs/dbraw/zinc/53/51/00/1017535100.db2.gz DBNLQXRNDSJTCY-ZDUSSCGKSA-N -1 0 303.311 -0.750 20 0 DBADRM COC[C@](C)(O)CNC(=O)COCc1ocnc1C(=O)[O-] ZINC001599156633 1017535689 /nfs/dbraw/zinc/53/56/89/1017535689.db2.gz NBMOKQIYMNTRDF-GFCCVEGCSA-N -1 0 302.283 -0.597 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)N1CCC(CC(=O)[O-])CC1)OC ZINC001599163209 1017537490 /nfs/dbraw/zinc/53/74/90/1017537490.db2.gz BDJLJZUPBXRCAM-LLVKDONJSA-N -1 0 316.354 -0.523 20 0 DBADRM COCC(COC)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001599165146 1017537536 /nfs/dbraw/zinc/53/75/36/1017537536.db2.gz DFGLCWGCCNWGFH-YTWAJWBKSA-N -1 0 307.368 -0.324 20 0 DBADRM COC[C@@H](CNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)OC ZINC001599163191 1017537570 /nfs/dbraw/zinc/53/75/70/1017537570.db2.gz AWGBHWLKLHWFAM-NOZJJQNGSA-N -1 0 315.326 -0.337 20 0 DBADRM COC[C@@H](CCNC(=O)NCCn1cc(C(=O)[O-])nn1)OC ZINC001599162774 1017537806 /nfs/dbraw/zinc/53/78/06/1017537806.db2.gz JLDWSQQPYYOYAV-SECBINFHSA-N -1 0 315.330 -0.673 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1)C(=O)[O-] ZINC001599165382 1017537819 /nfs/dbraw/zinc/53/78/19/1017537819.db2.gz CXGMGZRMSLFNGL-GVXVVHGQSA-N -1 0 321.333 -0.183 20 0 DBADRM COC[C@H](CS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)OC ZINC001599165642 1017537878 /nfs/dbraw/zinc/53/78/78/1017537878.db2.gz IIQAAYIZBOVRKT-BBBLOLIVSA-N -1 0 311.356 -0.849 20 0 DBADRM COC[C@H](CS(=O)(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])OC ZINC001599166911 1017539912 /nfs/dbraw/zinc/53/99/12/1017539912.db2.gz QLRPXYSNHQBGPS-FOGDFJRCSA-N -1 0 307.368 -0.083 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001599164507 1017538349 /nfs/dbraw/zinc/53/83/49/1017538349.db2.gz LUGPECRDWQYQFC-LURJTMIESA-N -1 0 324.742 -0.281 20 0 DBADRM COC[C@H](NC(=O)[C@]1(C)Oc2ccccc2NC1=O)C(=O)[O-] ZINC001599165172 1017538510 /nfs/dbraw/zinc/53/85/10/1017538510.db2.gz BLQXGBNXJXGLJF-LKFCYVNXSA-N -1 0 308.290 -0.008 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](C)n1cnc2c1ncnc2N)C(=O)[O-] ZINC001599167983 1017539395 /nfs/dbraw/zinc/53/93/95/1017539395.db2.gz YGYYJCSWQKIHDH-RNFRBKRXSA-N -1 0 308.298 -0.815 20 0 DBADRM COC[C@H](NC(=O)CCn1cnc2c1ncnc2N)C(=O)[O-] ZINC001599168432 1017539696 /nfs/dbraw/zinc/53/96/96/1017539696.db2.gz APPZWXLNBBXAKN-ZETCQYMHSA-N -1 0 308.298 -0.986 20 0 DBADRM COC[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C)C1CC1 ZINC001599169149 1017541277 /nfs/dbraw/zinc/54/12/77/1017541277.db2.gz JUDOHMUKMJEEGQ-LLVKDONJSA-N -1 0 324.337 -0.244 20 0 DBADRM COC[C@@H](NC(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-])[C@@H]1CCCO1 ZINC001599172676 1017541329 /nfs/dbraw/zinc/54/13/29/1017541329.db2.gz CUGSWXAICUVZHO-USZNOCQGSA-N -1 0 316.354 -0.031 20 0 DBADRM COC[C@H](NC(=O)c1cc(S(N)(=O)=O)c(C)o1)C(=O)[O-] ZINC001599171848 1017541882 /nfs/dbraw/zinc/54/18/82/1017541882.db2.gz NNAVXTMIXANGEF-LURJTMIESA-N -1 0 306.296 -0.935 20 0 DBADRM COC[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C)C1CC1 ZINC001599169151 1017541995 /nfs/dbraw/zinc/54/19/95/1017541995.db2.gz JUDOHMUKMJEEGQ-NSHDSACASA-N -1 0 324.337 -0.244 20 0 DBADRM COC[C@H](NC(=O)c1ccc(OC)c(-n2cnnn2)c1)C(=O)[O-] ZINC001599174368 1017542027 /nfs/dbraw/zinc/54/20/27/1017542027.db2.gz KQAKPNRTALDLQP-VIFPVBQESA-N -1 0 321.293 -0.500 20 0 DBADRM COC[C@@H](NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C)C(=O)[O-] ZINC001599174551 1017542153 /nfs/dbraw/zinc/54/21/53/1017542153.db2.gz SIXMFPPCQFXOMW-NXEZZACHSA-N -1 0 322.383 -0.691 20 0 DBADRM COC[C@H](N[C@H](C(=O)[O-])c1cccc(C(=O)OC)c1)C(N)=O ZINC001599173892 1017542376 /nfs/dbraw/zinc/54/23/76/1017542376.db2.gz SWXGZGWTDPHOLI-QWRGUYRKSA-N -1 0 310.306 -0.311 20 0 DBADRM COC[C@@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC001599169125 1017542445 /nfs/dbraw/zinc/54/24/45/1017542445.db2.gz SMTWYWQKNUSJGC-SECBINFHSA-N -1 0 324.289 -0.639 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C(N)=O ZINC001599178357 1017543263 /nfs/dbraw/zinc/54/32/63/1017543263.db2.gz PFCMIWYAKALVEM-YFKPBYRVSA-N -1 0 308.337 -0.775 20 0 DBADRM COC[C@H](NC(=O)c1cn(Cc2ccccn2)nn1)C(=O)[O-] ZINC001599175368 1017544624 /nfs/dbraw/zinc/54/46/24/1017544624.db2.gz ICZXBXDSTTVXAO-NSHDSACASA-N -1 0 305.294 -0.449 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(N)=O ZINC001599177660 1017544695 /nfs/dbraw/zinc/54/46/95/1017544695.db2.gz MZFKJHDKZGDVSR-MRVPVSSYSA-N -1 0 320.298 -0.698 20 0 DBADRM COC[C@H](O)CCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001599178472 1017544901 /nfs/dbraw/zinc/54/49/01/1017544901.db2.gz SEDNSMLMUDWGBW-GFCCVEGCSA-N -1 0 324.333 -0.234 20 0 DBADRM COC[C@H](NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])C(N)=O ZINC001599176354 1017544983 /nfs/dbraw/zinc/54/49/83/1017544983.db2.gz JNXKKTWCTFTTMS-HRDYMLBCSA-N -1 0 308.356 -0.951 20 0 DBADRM COC[C@@H](NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(N)=O ZINC001599176732 1017545144 /nfs/dbraw/zinc/54/51/44/1017545144.db2.gz PUDQJWGNCHFKOI-SNVBAGLBSA-N -1 0 316.335 -0.696 20 0 DBADRM CCC(=O)N(C)C[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001497920407 1017545846 /nfs/dbraw/zinc/54/58/46/1017545846.db2.gz TWYYYVOHNVBBED-SECBINFHSA-N -1 0 311.342 -0.594 20 0 DBADRM COC[C@@H](OC)C(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001599180918 1017546259 /nfs/dbraw/zinc/54/62/59/1017546259.db2.gz DAKVDDHZFOLHCB-LLVKDONJSA-N -1 0 324.337 -0.515 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCCN1C(=O)CC1CS(=O)(=O)C1 ZINC001599182494 1017546316 /nfs/dbraw/zinc/54/63/16/1017546316.db2.gz HPUPIVFMRKCPIK-ZDUSSCGKSA-N -1 0 319.379 -0.097 20 0 DBADRM COC[C@H](OC)C(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001599182667 1017546536 /nfs/dbraw/zinc/54/65/36/1017546536.db2.gz QGBCXNAMEUFMQC-BDAKNGLRSA-N -1 0 312.326 -0.825 20 0 DBADRM COCC1(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])CCOCC1 ZINC001599185723 1017546911 /nfs/dbraw/zinc/54/69/11/1017546911.db2.gz CQXRXJZSILSGBK-LLVKDONJSA-N -1 0 311.338 -0.035 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCCN1C(=O)CN(C)S(C)(=O)=O ZINC001599182744 1017546958 /nfs/dbraw/zinc/54/69/58/1017546958.db2.gz INSCEDDBRJGPES-GFCCVEGCSA-N -1 0 322.383 -0.640 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCCN1C(=O)COCC(=O)OC ZINC001599184017 1017547220 /nfs/dbraw/zinc/54/72/20/1017547220.db2.gz PDZRZARAMVQIAO-ZDUSSCGKSA-N -1 0 303.311 -0.342 20 0 DBADRM COC[C@@H](OC)C(=O)NC[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001599180668 1017547263 /nfs/dbraw/zinc/54/72/63/1017547263.db2.gz AEDINIZOBNPNTA-PSASIEDQSA-N -1 0 312.326 -0.247 20 0 DBADRM COC[C@H](OC)C(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001599182501 1017547794 /nfs/dbraw/zinc/54/77/94/1017547794.db2.gz OLILJRBQMHDQCQ-QWRGUYRKSA-N -1 0 324.337 -0.469 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CCn1ncn(C)c1=O ZINC001599189767 1017548432 /nfs/dbraw/zinc/54/84/32/1017548432.db2.gz HBOLEAYQXCPXEF-CYBMUJFWSA-N -1 0 312.326 -0.936 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CCn1ncn(C)c1=O ZINC001599189769 1017548572 /nfs/dbraw/zinc/54/85/72/1017548572.db2.gz HBOLEAYQXCPXEF-ZDUSSCGKSA-N -1 0 312.326 -0.936 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H](C)CS(C)(=O)=O ZINC001599189618 1017549270 /nfs/dbraw/zinc/54/92/70/1017549270.db2.gz HBFHLSWUALNYTL-CABZTGNLSA-N -1 0 307.368 -0.241 20 0 DBADRM COC[C@@H]1CNCCN1S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001599206558 1017552469 /nfs/dbraw/zinc/55/24/69/1017552469.db2.gz BSNDVLJBEBHZOH-QJPTWQEYSA-N -1 0 320.411 -0.120 20 0 DBADRM COCC[C@H](C)NC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001599210118 1017555744 /nfs/dbraw/zinc/55/57/44/1017555744.db2.gz BQXMWRMAEFUWSC-AEJSXWLSSA-N -1 0 302.327 -0.073 20 0 DBADRM COCCC(=O)N1CCO[C@@H](CNc2ncc(C(=O)[O-])cn2)C1 ZINC001599207277 1017553952 /nfs/dbraw/zinc/55/39/52/1017553952.db2.gz KIPWEUGCGWGABP-NSHDSACASA-N -1 0 324.337 -0.149 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CCO1 ZINC001599205900 1017554073 /nfs/dbraw/zinc/55/40/73/1017554073.db2.gz UAZPSINSCAYHTJ-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM COCC[C@H](NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C(N)=O ZINC001599217266 1017558386 /nfs/dbraw/zinc/55/83/86/1017558386.db2.gz CTRMAXWMOIRFIJ-LPEHRKFASA-N -1 0 322.383 -0.560 20 0 DBADRM COC[C@H]1CN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CCO1 ZINC001599204994 1017554238 /nfs/dbraw/zinc/55/42/38/1017554238.db2.gz GUWYEBIEOKBHMD-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM COCC[C@@H](NC(=O)COCC(=O)OC(C)(C)C)C(=O)[O-] ZINC001599214131 1017554738 /nfs/dbraw/zinc/55/47/38/1017554738.db2.gz CVZZDJBKCLGBLZ-SECBINFHSA-N -1 0 305.327 -0.049 20 0 DBADRM COCC[C@@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)C(N)=O ZINC001599212955 1017555075 /nfs/dbraw/zinc/55/50/75/1017555075.db2.gz PQYKKLUNCVIMAO-SSDOTTSWSA-N -1 0 316.339 -0.218 20 0 DBADRM COCC[C@@H](C)CNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599209353 1017555131 /nfs/dbraw/zinc/55/51/31/1017555131.db2.gz ASSCZZKOGJILLJ-MXWKQRLJSA-N -1 0 316.354 -0.524 20 0 DBADRM COCC[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C(=O)[O-] ZINC001599214341 1017555175 /nfs/dbraw/zinc/55/51/75/1017555175.db2.gz UNTUJYOKPWGPPK-BDAKNGLRSA-N -1 0 310.372 -0.834 20 0 DBADRM COC[C@@H]1COCCN1S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001599208722 1017555308 /nfs/dbraw/zinc/55/53/08/1017555308.db2.gz ZRUODAODKQLYRP-SECBINFHSA-N -1 0 316.335 -0.184 20 0 DBADRM COCC[C@H](COC)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001599211462 1017555518 /nfs/dbraw/zinc/55/55/18/1017555518.db2.gz KQOVWKNWJDYCIR-SNVBAGLBSA-N -1 0 312.322 -0.286 20 0 DBADRM COCC[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C(=O)OC ZINC001599214928 1017555552 /nfs/dbraw/zinc/55/55/52/1017555552.db2.gz OMICCFOSVAKKLM-AXFHLTTASA-N -1 0 317.338 -0.049 20 0 DBADRM COCC[C@H](C)CNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599209352 1017555680 /nfs/dbraw/zinc/55/56/80/1017555680.db2.gz ASSCZZKOGJILLJ-AXFHLTTASA-N -1 0 316.354 -0.524 20 0 DBADRM COCC[C@@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001599209798 1017555878 /nfs/dbraw/zinc/55/58/78/1017555878.db2.gz OWIVIKUDGGNQHR-SNVBAGLBSA-N -1 0 307.328 -0.826 20 0 DBADRM COCC[C@@H](COC)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001599211988 1017555927 /nfs/dbraw/zinc/55/59/27/1017555927.db2.gz QFMVPIZWZNFCCJ-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001599211410 1017555995 /nfs/dbraw/zinc/55/59/95/1017555995.db2.gz HUDVEZADPHTBBA-BDAKNGLRSA-N -1 0 308.356 -0.984 20 0 DBADRM COCC[C@@H](C)NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599210327 1017556221 /nfs/dbraw/zinc/55/62/21/1017556221.db2.gz IREXPAMOTWWCMC-NXEZZACHSA-N -1 0 302.327 -0.770 20 0 DBADRM COCC[C@@H](NC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1)C(=O)[O-] ZINC001599215791 1017557498 /nfs/dbraw/zinc/55/74/98/1017557498.db2.gz RHMNZWBNABZWNE-ZYHUDNBSSA-N -1 0 324.337 -0.173 20 0 DBADRM COCC[C@@H](NC(=O)c1cn(C(F)(F)CO)nn1)C(=O)[O-] ZINC001599217183 1017557706 /nfs/dbraw/zinc/55/77/06/1017557706.db2.gz JFWAUTZHWQJHAC-ZCFIWIBFSA-N -1 0 308.241 -0.961 20 0 DBADRM COCC[C@@H](Nc1cc(C)nc2nc(C(=O)[O-])nn21)C(N)=O ZINC001599216711 1017557769 /nfs/dbraw/zinc/55/77/69/1017557769.db2.gz JFMVMKPSUMTLKR-SSDOTTSWSA-N -1 0 308.298 -0.567 20 0 DBADRM COCC[C@@H](NC(=O)c1coc(S(C)(=O)=O)c1)C(=O)[O-] ZINC001599218828 1017558536 /nfs/dbraw/zinc/55/85/36/1017558536.db2.gz SSLLKEONRPBOIF-MRVPVSSYSA-N -1 0 305.308 -0.097 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])C(N)=O ZINC001599219207 1017558810 /nfs/dbraw/zinc/55/88/10/1017558810.db2.gz OUFPNEZWBULBTE-SECBINFHSA-N -1 0 316.335 -0.447 20 0 DBADRM COCC[C@@H](NC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1)C(=O)[O-] ZINC001599215790 1017558969 /nfs/dbraw/zinc/55/89/69/1017558969.db2.gz RHMNZWBNABZWNE-PWSUYJOCSA-N -1 0 324.337 -0.173 20 0 DBADRM COCCCN1CC(CCO)(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001599222646 1017559536 /nfs/dbraw/zinc/55/95/36/1017559536.db2.gz BWOPLDLMKXOMMY-GHMZBOCLSA-N -1 0 300.355 -0.703 20 0 DBADRM COCCCNC(=O)CN1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC001599227463 1017560419 /nfs/dbraw/zinc/56/04/19/1017560419.db2.gz VZEJHBYBWOQVDP-UHFFFAOYSA-N -1 0 301.387 -0.380 20 0 DBADRM COCCCNC(=O)[C@@H](C)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599225918 1017560594 /nfs/dbraw/zinc/56/05/94/1017560594.db2.gz WVICXJMUPSNJHM-YGRLFVJLSA-N -1 0 313.354 -0.167 20 0 DBADRM COCCCS(=O)(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001599226979 1017560705 /nfs/dbraw/zinc/56/07/05/1017560705.db2.gz LXFWLOVMBBVOJQ-SECBINFHSA-N -1 0 311.356 -0.451 20 0 DBADRM COCCCNC(=O)CN(C)c1ncnc(C(=O)[O-])c1OC ZINC001599225588 1017560956 /nfs/dbraw/zinc/56/09/56/1017560956.db2.gz LTFKCCMTHBBMMY-UHFFFAOYSA-N -1 0 312.326 -0.228 20 0 DBADRM COCCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001599232887 1017564006 /nfs/dbraw/zinc/56/40/06/1017564006.db2.gz VXLDUCYOAUKBOO-GFCCVEGCSA-N -1 0 322.317 -0.030 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)CCS(=O)(=O)N(C)C ZINC001599235050 1017566199 /nfs/dbraw/zinc/56/61/99/1017566199.db2.gz OOODIUVDGLREJB-UHFFFAOYSA-N -1 0 310.372 -0.782 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1nc(N)nc(N(C)C)n1 ZINC001599236162 1017566137 /nfs/dbraw/zinc/56/61/37/1017566137.db2.gz JEYYBXLANJMBHJ-UHFFFAOYSA-N -1 0 312.330 -0.917 20 0 DBADRM COCCN1CCCN(CN2C[C@H](C(=O)[O-])CC2=O)CC1=O ZINC001599241142 1017567790 /nfs/dbraw/zinc/56/77/90/1017567790.db2.gz YGODHVDAWUQFFD-LLVKDONJSA-N -1 0 313.354 -0.942 20 0 DBADRM COCCNC(=O)CNC(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001599242332 1017568291 /nfs/dbraw/zinc/56/82/91/1017568291.db2.gz NBZVIMQUQQMNQP-UHFFFAOYSA-N -1 0 310.310 -0.028 20 0 DBADRM COCC[NH2+]CCNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001599245026 1017568306 /nfs/dbraw/zinc/56/83/06/1017568306.db2.gz UWLNHPRLKMQOBT-UHFFFAOYSA-N -1 0 302.352 -0.101 20 0 DBADRM COCCNC(=O)C1(NC(=O)c2csc(C(=O)[O-])n2)CC1 ZINC001599242939 1017569840 /nfs/dbraw/zinc/56/98/40/1017569840.db2.gz WMGBDOSJEFSAER-UHFFFAOYSA-N -1 0 313.335 -0.134 20 0 DBADRM COCCOCC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001599248400 1017570385 /nfs/dbraw/zinc/57/03/85/1017570385.db2.gz XGCGOSQSRXWSTF-QWRGUYRKSA-N -1 0 314.338 -0.959 20 0 DBADRM COCCO[C@H]1C[C@@H](CO)CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001599247533 1017570933 /nfs/dbraw/zinc/57/09/33/1017570933.db2.gz OQXKQSVTSRCWTQ-MROQNXINSA-N -1 0 315.366 -0.030 20 0 DBADRM COCCO[C@H]1C[C@H](CO)CN(C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001599246360 1017571487 /nfs/dbraw/zinc/57/14/87/1017571487.db2.gz GYLFACIEVPZTSE-DCAQKATOSA-N -1 0 322.333 -0.536 20 0 DBADRM COCCOCCN(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001599250405 1017571536 /nfs/dbraw/zinc/57/15/36/1017571536.db2.gz HKBRRQMKQIAWAD-LLVKDONJSA-N -1 0 316.354 -0.569 20 0 DBADRM COCCO[C@@H]1CCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC001599248495 1017571686 /nfs/dbraw/zinc/57/16/86/1017571686.db2.gz BAZIUPNSALEGIK-SNVBAGLBSA-N -1 0 310.372 -0.625 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001599251597 1017573466 /nfs/dbraw/zinc/57/34/66/1017573466.db2.gz PFCQUBRCRWUJSU-JTQLQIEISA-N -1 0 302.327 -0.911 20 0 DBADRM COCCOCCC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599251166 1017573750 /nfs/dbraw/zinc/57/37/50/1017573750.db2.gz ZEOMLCVOSCTSPG-ZDUSSCGKSA-N -1 0 300.311 -0.129 20 0 DBADRM COCCOCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001599251477 1017574009 /nfs/dbraw/zinc/57/40/09/1017574009.db2.gz NZRUCVDWZOXDMT-CHWSQXEVSA-N -1 0 314.382 -0.096 20 0 DBADRM COCCOCCCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599250776 1017574323 /nfs/dbraw/zinc/57/43/23/1017574323.db2.gz VTTIYWSFAURRPT-LBPRGKRZSA-N -1 0 318.370 -0.093 20 0 DBADRM COCCS(=O)(=O)CCCN1CCOC[C@H]1CC(=O)[O-] ZINC001599262932 1017575692 /nfs/dbraw/zinc/57/56/92/1017575692.db2.gz WZMQYUQGFDFHHL-LLVKDONJSA-N -1 0 309.384 -0.387 20 0 DBADRM COCCn1c([C@@H](C)O)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001599270051 1017575775 /nfs/dbraw/zinc/57/57/75/1017575775.db2.gz QTIKNZDIEMJGGV-BDAKNGLRSA-N -1 0 300.315 -0.732 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])n1 ZINC001599271364 1017575908 /nfs/dbraw/zinc/57/59/08/1017575908.db2.gz LXWZKEKHEFHRQN-NXEZZACHSA-N -1 0 324.337 -0.163 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001599262561 1017576133 /nfs/dbraw/zinc/57/61/33/1017576133.db2.gz ZRXYBPYLAJJPMU-UHFFFAOYSA-N -1 0 307.368 -0.239 20 0 DBADRM COCCn1cc(CNS(=O)(=O)C2(C(=O)[O-])CCC2)cn1 ZINC001599271298 1017576931 /nfs/dbraw/zinc/57/69/31/1017576931.db2.gz MLMOYCAUQBQZMP-UHFFFAOYSA-N -1 0 317.367 -0.044 20 0 DBADRM COCCn1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])c(=O)cc1C ZINC001599270957 1017577002 /nfs/dbraw/zinc/57/70/02/1017577002.db2.gz FUNCNBMBJVNOTG-LBPRGKRZSA-N -1 0 324.333 -0.271 20 0 DBADRM COCCn1cc(C(=O)N[C@H](CCC(=O)OC)C(=O)[O-])cn1 ZINC001599271633 1017578064 /nfs/dbraw/zinc/57/80/64/1017578064.db2.gz NYWUAOLCUYRALO-SNVBAGLBSA-N -1 0 313.310 -0.334 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001599275946 1017578613 /nfs/dbraw/zinc/57/86/13/1017578613.db2.gz UBDNIVICJGWDBU-YFKPBYRVSA-N -1 0 313.715 -0.083 20 0 DBADRM COCCn1nc(C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)ccc1=O ZINC001599274249 1017578696 /nfs/dbraw/zinc/57/86/96/1017578696.db2.gz QKEWNKVJPXVODJ-FEUHOPSXSA-N -1 0 321.333 -0.127 20 0 DBADRM COCCn1ccc(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)n1 ZINC001599271732 1017578965 /nfs/dbraw/zinc/57/89/65/1017578965.db2.gz PRUWSDQXJAHNSR-WDEREUQCSA-N -1 0 311.338 -0.003 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001599276709 1017579175 /nfs/dbraw/zinc/57/91/75/1017579175.db2.gz IFDOTMNOZGVZNG-NXEZZACHSA-N -1 0 309.322 -0.200 20 0 DBADRM COCCn1ncc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1C ZINC001599273625 1017579274 /nfs/dbraw/zinc/57/92/74/1017579274.db2.gz KHUAYUYYVKTHCS-WDEREUQCSA-N -1 0 311.338 -0.254 20 0 DBADRM COCCn1cc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cn1 ZINC001599272976 1017579321 /nfs/dbraw/zinc/57/93/21/1017579321.db2.gz UBSNFGJQFJQJNH-URLYPYJESA-N -1 0 315.351 -0.519 20 0 DBADRM COCCn1cc(CNS(=O)(=O)CC2(C(=O)[O-])CC2)cn1 ZINC001599271965 1017579445 /nfs/dbraw/zinc/57/94/45/1017579445.db2.gz RXIVFVGVQNTUMS-UHFFFAOYSA-N -1 0 317.367 -0.186 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001599277226 1017580499 /nfs/dbraw/zinc/58/04/99/1017580499.db2.gz UJNWLTQVJQMNQP-RKDXNWHRSA-N -1 0 318.351 -0.506 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001599277180 1017580725 /nfs/dbraw/zinc/58/07/25/1017580725.db2.gz UJNWLTQVJQMNQP-DTWKUNHWSA-N -1 0 318.351 -0.506 20 0 DBADRM COC[C@H]1C[C@@H](n2nnnc2N2CC[C@](OC)(C(=O)[O-])C2)C1 ZINC001599276909 1017581091 /nfs/dbraw/zinc/58/10/91/1017581091.db2.gz OHQVKBPKPGEPHV-GBIKHYSHSA-N -1 0 311.342 -0.050 20 0 DBADRM COC[C@H](O)CNC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001599277019 1017581449 /nfs/dbraw/zinc/58/14/49/1017581449.db2.gz BGRGKCLWPLEASP-JXRVJTEKSA-N -1 0 316.354 -0.295 20 0 DBADRM COCc1ccc(C(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])o1 ZINC001599290075 1017581870 /nfs/dbraw/zinc/58/18/70/1017581870.db2.gz ALQIJRMABINUMW-UWVGGRQHSA-N -1 0 310.306 -0.007 20 0 DBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001599278080 1017581884 /nfs/dbraw/zinc/58/18/84/1017581884.db2.gz XXICAVGKNFFKID-QMMMGPOBSA-N -1 0 320.323 -0.593 20 0 DBADRM COCc1cc(NC(=O)C(=O)NCCC(N)=O)cc(C(=O)[O-])c1 ZINC001599284755 1017582340 /nfs/dbraw/zinc/58/23/40/1017582340.db2.gz NVBHUGCCVSIBBK-UHFFFAOYSA-N -1 0 323.305 -0.539 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)CC2 ZINC001599303519 1017582985 /nfs/dbraw/zinc/58/29/85/1017582985.db2.gz YYSUWKDVYQTFNY-BBBLOLIVSA-N -1 0 323.353 -0.098 20 0 DBADRM COCc1nocc1C(=O)NCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599306718 1017583944 /nfs/dbraw/zinc/58/39/44/1017583944.db2.gz GJGPSJKYPWVGKI-JGVFFNPUSA-N -1 0 311.294 -0.612 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1C[C@H]1C(=O)[O-])CC2 ZINC001599303270 1017584078 /nfs/dbraw/zinc/58/40/78/1017584078.db2.gz VDHCTBICMSEORV-OPRDCNLKSA-N -1 0 323.353 -0.241 20 0 DBADRM COCc1nc(NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc(OC)n1 ZINC001599302958 1017584329 /nfs/dbraw/zinc/58/43/29/1017584329.db2.gz BIFQCVNQQMHHOJ-RKDXNWHRSA-N -1 0 324.337 -0.120 20 0 DBADRM CON(C)C[C@@H](O)Cn1cc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])cn1 ZINC001599316982 1017585768 /nfs/dbraw/zinc/58/57/68/1017585768.db2.gz XFULERMYHXQLAG-OUAUKWLOSA-N -1 0 312.326 -0.604 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001599315463 1017586266 /nfs/dbraw/zinc/58/62/66/1017586266.db2.gz UYBVILITOPKLRQ-MRVPVSSYSA-N -1 0 311.294 -0.929 20 0 DBADRM CON(C)C(=O)[C@H](C)NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599314241 1017586706 /nfs/dbraw/zinc/58/67/06/1017586706.db2.gz DZJHOVPWVIDKTA-ZETCQYMHSA-N -1 0 320.323 -0.027 20 0 DBADRM CON(C)C(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001599315142 1017586813 /nfs/dbraw/zinc/58/68/13/1017586813.db2.gz MZTNPZZRFPZXSO-LURJTMIESA-N -1 0 306.296 -0.336 20 0 DBADRM CON(C)C(=O)CNC(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001599314788 1017587440 /nfs/dbraw/zinc/58/74/40/1017587440.db2.gz ISRVTRDEFQGLKJ-UHFFFAOYSA-N -1 0 311.298 -0.331 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])C[C@H]1O ZINC001599323198 1017588070 /nfs/dbraw/zinc/58/80/70/1017588070.db2.gz CNHOMUMVOROZNK-NXEZZACHSA-N -1 0 319.310 -0.096 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2C)C[C@H]1O ZINC001599322745 1017588499 /nfs/dbraw/zinc/58/84/99/1017588499.db2.gz STJVZNXIXRFSNX-VXGBXAGGSA-N -1 0 322.317 -0.150 20 0 DBADRM CONC(=O)C1CCN(C(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)CC1 ZINC001599321333 1017588877 /nfs/dbraw/zinc/58/88/77/1017588877.db2.gz YUELAJBPIUFTGU-LSJOCFKGSA-N -1 0 314.338 -0.219 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C[C@H]1O ZINC001599323255 1017589705 /nfs/dbraw/zinc/58/97/05/1017589705.db2.gz GCTMTIDUAJLVMP-NXEZZACHSA-N -1 0 302.308 -0.840 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C[C@H]1O ZINC001599323358 1017589721 /nfs/dbraw/zinc/58/97/21/1017589721.db2.gz NKPFYSXSJVCWHI-LNFKQOIKSA-N -1 0 307.368 -0.349 20 0 DBADRM CON1CC[C@H](N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001599319148 1017589735 /nfs/dbraw/zinc/58/97/35/1017589735.db2.gz UDYCGSCIWGABAD-KOLCDFICSA-N -1 0 309.326 -0.225 20 0 DBADRM CO[C@H]1C[C@@H](Cn2nnnc2N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001599326341 1017590884 /nfs/dbraw/zinc/59/08/84/1017590884.db2.gz GXOMEEOMKVBMIT-ZNSHCXBVSA-N -1 0 311.342 -0.224 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599328683 1017591757 /nfs/dbraw/zinc/59/17/57/1017591757.db2.gz NUYKATWFGIECST-ZCFIWIBFSA-N -1 0 313.266 -0.788 20 0 DBADRM CO[C@@H]1CN(c2nnnn2[C@H]2CC=C(C(=O)[O-])C2)C[C@@H]1OC ZINC001599326086 1017592371 /nfs/dbraw/zinc/59/23/71/1017592371.db2.gz ONMMORJXRJPDOW-GARJFASQSA-N -1 0 309.326 -0.131 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3cnc(C(=O)[O-])cn3)C[C@H]21 ZINC001599324474 1017592446 /nfs/dbraw/zinc/59/24/46/1017592446.db2.gz HQSPTHJAOZSWLT-SFGNSQDASA-N -1 0 313.335 -0.577 20 0 DBADRM COc1c(C(=O)OCCCc2cn(CC(=O)[O-])nn2)cnn1C ZINC001599331053 1017592952 /nfs/dbraw/zinc/59/29/52/1017592952.db2.gz GHVVOMFIVXUMCK-UHFFFAOYSA-N -1 0 323.309 -0.106 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccc(C(=O)[O-])[nH]3)C[C@H]21 ZINC001599324493 1017593074 /nfs/dbraw/zinc/59/30/74/1017593074.db2.gz IBCPNTPVNCSCKT-WCQGTBRESA-N -1 0 314.363 -0.043 20 0 DBADRM COc1cc(C(=O)NCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])ccn1 ZINC001599354335 1017594434 /nfs/dbraw/zinc/59/44/34/1017594434.db2.gz QPOOZTQWZNRAAA-QWRGUYRKSA-N -1 0 321.333 -0.001 20 0 DBADRM COc1cc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])ncn1 ZINC001599349982 1017594486 /nfs/dbraw/zinc/59/44/86/1017594486.db2.gz PIWAYVCSMUTVRR-RKDXNWHRSA-N -1 0 322.321 -0.606 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N[C@H]1CCNC1=O ZINC001599370835 1017594681 /nfs/dbraw/zinc/59/46/81/1017594681.db2.gz LBQRCHIALKJNCA-VIFPVBQESA-N -1 0 321.289 -0.663 20 0 DBADRM CS(=O)(=O)C1(C(=O)OCC(=O)NCCC(=O)[O-])CCC1 ZINC001599744657 1017614989 /nfs/dbraw/zinc/61/49/89/1017614989.db2.gz CABVASYHUHUXJC-UHFFFAOYSA-N -1 0 307.324 -0.912 20 0 DBADRM COc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])sn1 ZINC001599351489 1017595557 /nfs/dbraw/zinc/59/55/57/1017595557.db2.gz WBYLIXLNLFIUOT-LURJTMIESA-N -1 0 320.348 -0.525 20 0 DBADRM COc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(N)=O ZINC001599424409 1017596409 /nfs/dbraw/zinc/59/64/09/1017596409.db2.gz NSFRXGPIERVHKG-YFKPBYRVSA-N -1 0 320.298 -0.315 20 0 DBADRM COc1cc(C(N)=O)ccc1NC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001599390479 1017596870 /nfs/dbraw/zinc/59/68/70/1017596870.db2.gz YMBLICWSXBAQMZ-CQSZACIVSA-N -1 0 323.305 -0.153 20 0 DBADRM COc1cc(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)sn1 ZINC001599418787 1017597143 /nfs/dbraw/zinc/59/71/43/1017597143.db2.gz ULKQSXRFRJPYHG-XRGYYRRGSA-N -1 0 310.353 -0.595 20 0 DBADRM COc1cc(NC(=O)C(=O)NC2(CC(=O)[O-])CCC2)nn1C ZINC001599432334 1017597204 /nfs/dbraw/zinc/59/72/04/1017597204.db2.gz XSZFNUKRMRCYOB-UHFFFAOYSA-N -1 0 310.310 -0.119 20 0 DBADRM COc1cc(NC(=O)C(=O)NC2(CO)CC2)ccc1C(=O)[O-] ZINC001599431910 1017597496 /nfs/dbraw/zinc/59/74/96/1017597496.db2.gz SDHVGHFRUCDLTJ-UHFFFAOYSA-N -1 0 308.290 -0.027 20 0 DBADRM COc1cc(NC(=O)C(=O)NC2(C(N)=O)CC2)ccc1C(=O)[O-] ZINC001599431665 1017597690 /nfs/dbraw/zinc/59/76/90/1017597690.db2.gz QYKZWQGKKFTLHA-UHFFFAOYSA-N -1 0 321.289 -0.534 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@H](CC2CC2)C(=O)[O-])[nH]n1 ZINC001599430676 1017597708 /nfs/dbraw/zinc/59/77/08/1017597708.db2.gz GOWBXVPRUPOMDB-QMMMGPOBSA-N -1 0 310.310 -0.026 20 0 DBADRM COc1cc(CNC(=O)N2C[C@H](O)[C@@H](CO)C2)ccc1C(=O)[O-] ZINC001599409754 1017598187 /nfs/dbraw/zinc/59/81/87/1017598187.db2.gz HWENSMJIHVBACX-PWSUYJOCSA-N -1 0 324.333 -0.112 20 0 DBADRM COc1cc(CC(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])ccn1 ZINC001599400425 1017598223 /nfs/dbraw/zinc/59/82/23/1017598223.db2.gz ILKKPUAXINFJBM-GHMZBOCLSA-N -1 0 321.333 -0.414 20 0 DBADRM COc1cc(OC)nc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)n1 ZINC001599455491 1017599395 /nfs/dbraw/zinc/59/93/95/1017599395.db2.gz ULLKUIDBWOWDKH-CYBMUJFWSA-N -1 0 311.294 -0.285 20 0 DBADRM COc1ccc(C(=O)NCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1 ZINC001599482934 1017599623 /nfs/dbraw/zinc/59/96/23/1017599623.db2.gz NLLJMXSSKFYGHC-WCQYABFASA-N -1 0 322.317 -0.217 20 0 DBADRM COc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001599480500 1017599933 /nfs/dbraw/zinc/59/99/33/1017599933.db2.gz YWOMHRNXPVAALA-MNOVXSKESA-N -1 0 319.317 -0.249 20 0 DBADRM COc1cc(OC)nc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1 ZINC001599454944 1017600885 /nfs/dbraw/zinc/60/08/85/1017600885.db2.gz ILNPKIGOSPFJBG-SFYZADRCSA-N -1 0 311.294 -0.192 20 0 DBADRM COc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001599480498 1017601001 /nfs/dbraw/zinc/60/10/01/1017601001.db2.gz YWOMHRNXPVAALA-GHMZBOCLSA-N -1 0 319.317 -0.249 20 0 DBADRM COc1cc(S(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)sn1 ZINC001599458009 1017601030 /nfs/dbraw/zinc/60/10/30/1017601030.db2.gz CAEJNALMBZLEOH-JTQLQIEISA-N -1 0 322.364 -0.079 20 0 DBADRM COc1cc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])ccc1F ZINC001599458919 1017601086 /nfs/dbraw/zinc/60/10/86/1017601086.db2.gz QYLVLPZRMQLCNY-SSDOTTSWSA-N -1 0 307.299 -0.052 20 0 DBADRM CS(=O)(=O)CC1(C(=O)NC2CC(CC(=O)[O-])C2)COC1 ZINC001599749135 1017618644 /nfs/dbraw/zinc/61/86/44/1017618644.db2.gz PNQOGUDWWCRAQB-UHFFFAOYSA-N -1 0 305.352 -0.583 20 0 DBADRM COc1ccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])cc1F ZINC001599587610 1017602884 /nfs/dbraw/zinc/60/28/84/1017602884.db2.gz KHTMPOOPUVDSOM-QMMMGPOBSA-N -1 0 314.269 -0.275 20 0 DBADRM COc1ccc(COCC(=O)Nc2n[nH]c(CC(=O)[O-])n2)cn1 ZINC001599574468 1017603422 /nfs/dbraw/zinc/60/34/22/1017603422.db2.gz GZSNNBZQBDIPAQ-UHFFFAOYSA-N -1 0 321.293 -0.009 20 0 DBADRM COc1ccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1OCC(N)=O ZINC001599563397 1017603669 /nfs/dbraw/zinc/60/36/69/1017603669.db2.gz HXLUWLJYJAKJDR-MNOVXSKESA-N -1 0 324.333 -0.421 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N(C)[C@@H](C)CO)cc1C(=O)[O-] ZINC001599563453 1017603825 /nfs/dbraw/zinc/60/38/25/1017603825.db2.gz ISWAPFQTQDIOAJ-VIFPVBQESA-N -1 0 324.333 -0.151 20 0 DBADRM COc1ccc(F)cc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001599584036 1017603837 /nfs/dbraw/zinc/60/38/37/1017603837.db2.gz CJVJRWPQEHZLLZ-MRVPVSSYSA-N -1 0 314.269 -0.275 20 0 DBADRM COc1cccc([C@@H](C(=O)[O-])N2CCN(CC(N)=O)CC2)c1 ZINC001599651484 1017604954 /nfs/dbraw/zinc/60/49/54/1017604954.db2.gz UTGXOBFLNHSGRZ-AWEZNQCLSA-N -1 0 307.350 -0.076 20 0 DBADRM COc1cccc([C@@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC001599660356 1017605076 /nfs/dbraw/zinc/60/50/76/1017605076.db2.gz RMKQREDFGQJLME-HOTUBEGUSA-N -1 0 324.333 -0.177 20 0 DBADRM COc1cccc(-n2cc(C(=O)NC[C@H](O)C(=O)[O-])nn2)c1 ZINC001599642143 1017605232 /nfs/dbraw/zinc/60/52/32/1017605232.db2.gz YWKILCARQXXDLH-NSHDSACASA-N -1 0 306.278 -0.549 20 0 DBADRM COc1ccc(NC(=O)C(=O)N[C@H]2CCNC2=O)c(C(=O)[O-])c1 ZINC001599589589 1017606407 /nfs/dbraw/zinc/60/64/07/1017606407.db2.gz QSCBBSFVWUXKTP-JTQLQIEISA-N -1 0 321.289 -0.663 20 0 DBADRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)Cn2ncnn2)c1 ZINC001599649140 1017606453 /nfs/dbraw/zinc/60/64/53/1017606453.db2.gz OHTUFXPEERCNGR-LBPRGKRZSA-N -1 0 305.294 -0.034 20 0 DBADRM COc1ccc2c(c1)OCC(C(=O)NCC(=O)NCC(=O)[O-])=C2 ZINC001599630289 1017606734 /nfs/dbraw/zinc/60/67/34/1017606734.db2.gz NNYODHXTYMQBRU-UHFFFAOYSA-N -1 0 320.301 -0.212 20 0 DBADRM COc1cccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])c1F ZINC001599679578 1017608896 /nfs/dbraw/zinc/60/88/96/1017608896.db2.gz YYWIVRJTERKMTP-ZETCQYMHSA-N -1 0 314.269 -0.275 20 0 DBADRM COc1cccc([C@H](NC(=O)[C@H]2OCCN(C)C2=O)C(=O)[O-])c1 ZINC001599685587 1017609088 /nfs/dbraw/zinc/60/90/88/1017609088.db2.gz UBMPGWJQTBSMNE-NWDGAFQWSA-N -1 0 322.317 -0.206 20 0 DBADRM COc1ccncc1CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599722160 1017610248 /nfs/dbraw/zinc/61/02/48/1017610248.db2.gz YCDNOKIPIRADMR-IUCAKERBSA-N -1 0 324.337 -0.133 20 0 DBADRM COc1cnc(F)c(C(=O)NCCC(=O)NCCC(=O)[O-])c1 ZINC001599725367 1017610617 /nfs/dbraw/zinc/61/06/17/1017610617.db2.gz WVLSJNRITRDIQD-UHFFFAOYSA-N -1 0 313.285 -0.060 20 0 DBADRM COc1cncc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001599726974 1017610933 /nfs/dbraw/zinc/61/09/33/1017610933.db2.gz CVVRPQBEWLGDLT-VHSXEESVSA-N -1 0 302.308 -0.389 20 0 DBADRM COc1cnc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)nc1 ZINC001599723677 1017611759 /nfs/dbraw/zinc/61/17/59/1017611759.db2.gz SLUCIHJZGMOBDT-ZDUSSCGKSA-N -1 0 306.278 -0.069 20 0 DBADRM COc1cncc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC001599727318 1017611910 /nfs/dbraw/zinc/61/19/10/1017611910.db2.gz UUUJDRDQKRXCIR-UHFFFAOYSA-N -1 0 315.351 -0.519 20 0 DBADRM COc1ncccc1NC(=O)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001599737684 1017613122 /nfs/dbraw/zinc/61/31/22/1017613122.db2.gz RUYHCJAEOSOTJG-UWVGGRQHSA-N -1 0 323.305 -0.535 20 0 DBADRM COc1ncc(/C=C/C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cn1 ZINC001599736206 1017613236 /nfs/dbraw/zinc/61/32/36/1017613236.db2.gz PQXRDHOTVYKAAB-HXQNXIEXSA-N -1 0 322.321 -0.408 20 0 DBADRM COc1nc(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)co1 ZINC001599730216 1017613296 /nfs/dbraw/zinc/61/32/96/1017613296.db2.gz MYWBFULQMDKHHG-DTWKUNHWSA-N -1 0 323.305 -0.408 20 0 DBADRM COc1nc(C(=O)NC[C@@H](C)Nc2ccnc(C(=O)[O-])n2)co1 ZINC001599730683 1017613435 /nfs/dbraw/zinc/61/34/35/1017613435.db2.gz RTCLXFWSCJKAFR-SSDOTTSWSA-N -1 0 321.293 -0.176 20 0 DBADRM COc1ncccc1C(=O)N(C)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001599737018 1017613537 /nfs/dbraw/zinc/61/35/37/1017613537.db2.gz YLJQOHWQTDVMNO-QWRGUYRKSA-N -1 0 321.333 -0.001 20 0 DBADRM COc1nccc(NC(=O)C(=O)NC2(CC(=O)[O-])CCC2)n1 ZINC001599735396 1017613661 /nfs/dbraw/zinc/61/36/61/1017613661.db2.gz FVDVLHYIZIOUBH-UHFFFAOYSA-N -1 0 308.294 -0.063 20 0 DBADRM COc1cccn2ncc(C(=O)NCC(=O)NCC(=O)[O-])c12 ZINC001599732303 1017613926 /nfs/dbraw/zinc/61/39/26/1017613926.db2.gz JPGCOPDKJWOTKS-UHFFFAOYSA-N -1 0 306.278 -0.727 20 0 DBADRM COc1nn(C)cc1C(=O)NCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599738751 1017615464 /nfs/dbraw/zinc/61/54/64/1017615464.db2.gz GFUWVLOPYFFDNA-DTWKUNHWSA-N -1 0 324.337 -0.662 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001599739934 1017615843 /nfs/dbraw/zinc/61/58/43/1017615843.db2.gz SQDQZSKNXSGAMJ-VIFPVBQESA-N -1 0 324.337 -0.016 20 0 DBADRM C[S@](=N)(=O)N1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001599743124 1017616072 /nfs/dbraw/zinc/61/60/72/1017616072.db2.gz PXSXWVVSFUKEIW-OAQYLSRUSA-N -1 0 313.339 -0.476 20 0 DBADRM COc1nn(C)cc1CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001599739482 1017616324 /nfs/dbraw/zinc/61/63/24/1017616324.db2.gz NEJYJALOOZRXTR-JTQLQIEISA-N -1 0 324.337 -0.632 20 0 DBADRM COc1nscc1S(=O)(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001599743760 1017616454 /nfs/dbraw/zinc/61/64/54/1017616454.db2.gz VNSZMFCGGYUXLO-JTQLQIEISA-N -1 0 322.364 -0.079 20 0 DBADRM COc1ncncc1NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599739832 1017616682 /nfs/dbraw/zinc/61/66/82/1017616682.db2.gz XCHBZHSRIMFPEO-BQBZGAKWSA-N -1 0 311.298 -0.416 20 0 DBADRM CS(=O)(=O)C1(C(=O)OCC(=O)NCCC(=O)[O-])CCCC1 ZINC001599745037 1017616692 /nfs/dbraw/zinc/61/66/92/1017616692.db2.gz NNPHBHSUPHHZRF-UHFFFAOYSA-N -1 0 321.351 -0.522 20 0 DBADRM CSCCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599799563 1017635233 /nfs/dbraw/zinc/63/52/33/1017635233.db2.gz FBPYSJUWYQLJIG-BDAKNGLRSA-N -1 0 304.368 -0.850 20 0 DBADRM CS(=O)(=O)CC(=O)NCCCNc1ncc(C(=O)[O-])cn1 ZINC001599747453 1017617746 /nfs/dbraw/zinc/61/77/46/1017617746.db2.gz XNVLEVPCSCEASE-UHFFFAOYSA-N -1 0 316.339 -0.862 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(c2cnc(C(=O)[O-])cn2)CCO1 ZINC001599748271 1017618015 /nfs/dbraw/zinc/61/80/15/1017618015.db2.gz DERNTRYRAQMLHA-MRVPVSSYSA-N -1 0 301.324 -0.575 20 0 DBADRM CS(=O)(=O)CC1(NC(=O)c2cccc(C(=O)[O-])c2)COC1 ZINC001599748392 1017618036 /nfs/dbraw/zinc/61/80/36/1017618036.db2.gz ODCKGMDCRJCPEZ-UHFFFAOYSA-N -1 0 313.331 -0.072 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)c2cc(C(=O)[O-])on2)C1 ZINC001599748493 1017618101 /nfs/dbraw/zinc/61/81/01/1017618101.db2.gz HOBYYGWLKLGCED-ZETCQYMHSA-N -1 0 302.308 -0.121 20 0 DBADRM CS(=O)(=O)C1CCC(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])CC1 ZINC001599745663 1017618615 /nfs/dbraw/zinc/61/86/15/1017618615.db2.gz HMWNPINZOOUHMX-DJRKXVOMSA-N -1 0 319.379 -0.364 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001599748880 1017618818 /nfs/dbraw/zinc/61/88/18/1017618818.db2.gz KWGFPSOBEPGNCJ-AXFHLTTASA-N -1 0 319.379 -0.098 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001599748449 1017618825 /nfs/dbraw/zinc/61/88/25/1017618825.db2.gz FTWSOSCTHJFWAD-BBBLOLIVSA-N -1 0 305.352 -0.488 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1 ZINC001599749595 1017618927 /nfs/dbraw/zinc/61/89/27/1017618927.db2.gz SYWOQEIZRWCMRQ-UWVGGRQHSA-N -1 0 320.367 -0.394 20 0 DBADRM CS(=O)(=O)[C@H]1CCCCN(Cn2cnc(C(=O)[O-])n2)C1 ZINC001599746464 1017619031 /nfs/dbraw/zinc/61/90/31/1017619031.db2.gz ZOSQSEZOYPAAGG-VIFPVBQESA-N -1 0 302.356 -0.167 20 0 DBADRM CS(=O)(=O)CCCN1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001599751008 1017619680 /nfs/dbraw/zinc/61/96/80/1017619680.db2.gz VEOGJFPTIZGZCD-BDAKNGLRSA-N -1 0 318.351 -0.452 20 0 DBADRM CS(=O)(=O)CC[C@H]1CCCCN1C(=O)COCC(=O)[O-] ZINC001599750311 1017620225 /nfs/dbraw/zinc/62/02/25/1017620225.db2.gz AGSKTDUKBAAAQH-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM CS(=O)(=O)CCCN1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001599751009 1017620821 /nfs/dbraw/zinc/62/08/21/1017620821.db2.gz VEOGJFPTIZGZCD-DTWKUNHWSA-N -1 0 318.351 -0.452 20 0 DBADRM CS(=O)(=O)CCNC(=S)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599751803 1017620955 /nfs/dbraw/zinc/62/09/55/1017620955.db2.gz ZXSIUUJHELPPSC-SECBINFHSA-N -1 0 324.424 -0.937 20 0 DBADRM CS(=O)(=O)CCCNC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001599750776 1017621134 /nfs/dbraw/zinc/62/11/34/1017621134.db2.gz IOPKUSVUKRMXOQ-UHFFFAOYSA-N -1 0 300.336 -0.127 20 0 DBADRM CS(=O)(=O)CCCCCNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001599750045 1017621196 /nfs/dbraw/zinc/62/11/96/1017621196.db2.gz CVFFJJHYOSIWRZ-UHFFFAOYSA-N -1 0 318.355 -0.693 20 0 DBADRM CS(=O)(=O)CCCN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001599750884 1017621227 /nfs/dbraw/zinc/62/12/27/1017621227.db2.gz PKCCASFATZSKTC-ZDUSSCGKSA-N -1 0 320.411 -0.718 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)CCC(=O)[O-] ZINC001599755919 1017622430 /nfs/dbraw/zinc/62/24/30/1017622430.db2.gz PYXJFXWSRIUWAD-JTQLQIEISA-N -1 0 321.351 -0.222 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])C1 ZINC001599753611 1017622546 /nfs/dbraw/zinc/62/25/46/1017622546.db2.gz AEKAXGSZFCZSFD-LURJTMIESA-N -1 0 318.273 -0.600 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001599753823 1017623215 /nfs/dbraw/zinc/62/32/15/1017623215.db2.gz HJZCNQSPQREVGY-PTRXPTGYSA-N -1 0 302.352 -0.753 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C(=O)[O-])no2)C1 ZINC001599754982 1017623450 /nfs/dbraw/zinc/62/34/50/1017623450.db2.gz ASVWGQMZVVXMSB-ZETCQYMHSA-N -1 0 317.323 -0.017 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)c2cc(C(=O)[O-])no2)C1 ZINC001599756065 1017623517 /nfs/dbraw/zinc/62/35/17/1017623517.db2.gz ZSKBFWJIXGHIKO-SSDOTTSWSA-N -1 0 317.323 -0.616 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccoc2CC(=O)[O-])C1 ZINC001599757133 1017624318 /nfs/dbraw/zinc/62/43/18/1017624318.db2.gz CFHFOSBQNFLXBN-MRVPVSSYSA-N -1 0 316.335 -0.330 20 0 DBADRM CS(=O)(=O)NCC1CCN(Cn2cnc(C(=O)[O-])n2)CC1 ZINC001599759094 1017624348 /nfs/dbraw/zinc/62/43/48/1017624348.db2.gz HERIACMTMCVOHQ-UHFFFAOYSA-N -1 0 317.371 -0.805 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001599758727 1017624481 /nfs/dbraw/zinc/62/44/81/1017624481.db2.gz VZZUZYJEHDNQRX-HYXAFXHYSA-N -1 0 314.319 -0.249 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599757966 1017624639 /nfs/dbraw/zinc/62/46/39/1017624639.db2.gz NTJVFGPPSOZELH-UKKRHICBSA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001599758299 1017624687 /nfs/dbraw/zinc/62/46/87/1017624687.db2.gz LQFCSXUTCLSWPF-SECBINFHSA-N -1 0 314.367 -0.060 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001599758057 1017625245 /nfs/dbraw/zinc/62/52/45/1017625245.db2.gz PRIFOXQWTVHDLW-LPEHRKFASA-N -1 0 319.383 -0.427 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001599758726 1017625387 /nfs/dbraw/zinc/62/53/87/1017625387.db2.gz VZZUZYJEHDNQRX-HWKANZROSA-N -1 0 314.319 -0.249 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001599758053 1017625649 /nfs/dbraw/zinc/62/56/49/1017625649.db2.gz PRIFOXQWTVHDLW-BBBLOLIVSA-N -1 0 319.383 -0.427 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C(=O)[O-] ZINC001599763488 1017627055 /nfs/dbraw/zinc/62/70/55/1017627055.db2.gz XXFOWTCHUJCGCB-WPSCEVPVSA-N -1 0 317.363 -0.585 20 0 DBADRM CS(=O)(=O)Nc1cc(C(=O)N[C@H](CO)C(=O)[O-])ccc1F ZINC001599760591 1017627110 /nfs/dbraw/zinc/62/71/10/1017627110.db2.gz ZSDAEPCVENUGJU-SECBINFHSA-N -1 0 320.298 -0.628 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C(F)(F)C(F)F)C(=O)[O-] ZINC001599763053 1017627524 /nfs/dbraw/zinc/62/75/24/1017627524.db2.gz UAVNBPVOVLLQSK-RNHFCUEFSA-N -1 0 321.248 -0.109 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1cc(F)c[nH]1)C(=O)[O-] ZINC001599762908 1017627659 /nfs/dbraw/zinc/62/76/59/1017627659.db2.gz LUVJUKLPGFUTJS-GZMMTYOYSA-N -1 0 304.299 -0.229 20 0 DBADRM CS(=O)(=O)Nc1ccccc1CC(=O)N[C@@H](CO)C(=O)[O-] ZINC001599762590 1017627907 /nfs/dbraw/zinc/62/79/07/1017627907.db2.gz SHTSXIIJFSFTQR-JTQLQIEISA-N -1 0 316.335 -0.838 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])cn1 ZINC001599761329 1017627962 /nfs/dbraw/zinc/62/79/62/1017627962.db2.gz WWZPJPITIQTCJV-RKDXNWHRSA-N -1 0 313.335 -0.096 20 0 DBADRM C[S@@](=O)C1(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CCC1 ZINC001599775162 1017628995 /nfs/dbraw/zinc/62/89/95/1017628995.db2.gz JASZCGYOGZTTSC-AOUSDQRYSA-N -1 0 316.379 -0.663 20 0 DBADRM CS(=O)(=O)c1cccnc1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001599773619 1017629219 /nfs/dbraw/zinc/62/92/19/1017629219.db2.gz QQYCFRRUPLDRHE-LBPRGKRZSA-N -1 0 314.319 -0.853 20 0 DBADRM CS(=O)(=O)c1ccc(F)c(C(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC001599769203 1017629512 /nfs/dbraw/zinc/62/95/12/1017629512.db2.gz SSUOFADNYMZBFS-JTQLQIEISA-N -1 0 319.310 -0.205 20 0 DBADRM C[S@@](=O)CCCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001599774701 1017629588 /nfs/dbraw/zinc/62/95/88/1017629588.db2.gz FLTQXIBSXWSFPX-GWNMQOMSSA-N -1 0 304.368 -0.806 20 0 DBADRM CS(=O)(=O)c1ccccc1NNS(=O)(=O)CCC(=O)[O-] ZINC001599773938 1017629600 /nfs/dbraw/zinc/62/96/00/1017629600.db2.gz YNJLIQOYPCXOSA-UHFFFAOYSA-N -1 0 322.364 -0.189 20 0 DBADRM C[S@](=O)CCCNC(=O)COCc1ocnc1C(=O)[O-] ZINC001599774997 1017629767 /nfs/dbraw/zinc/62/97/67/1017629767.db2.gz IFXPLWYAHRPSOV-FQEVSTJZSA-N -1 0 304.324 -0.226 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)o1 ZINC001599767681 1017629953 /nfs/dbraw/zinc/62/99/53/1017629953.db2.gz WPXRTJCOYVNBIO-SFYZADRCSA-N -1 0 317.319 -0.409 20 0 DBADRM C[S@@](=O)C1(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1 ZINC001599774977 1017629992 /nfs/dbraw/zinc/62/99/92/1017629992.db2.gz FMWSSCDHIZNERX-AOUSDQRYSA-N -1 0 316.379 -0.663 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001599777115 1017631122 /nfs/dbraw/zinc/63/11/22/1017631122.db2.gz QADNTYBDHJGNKK-QFIPXVFZSA-N -1 0 324.358 -0.278 20 0 DBADRM CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001599786660 1017631256 /nfs/dbraw/zinc/63/12/56/1017631256.db2.gz DOMVRJOFCXAFIB-FSPLSTOPSA-N -1 0 309.369 -0.501 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC001599776875 1017631549 /nfs/dbraw/zinc/63/15/49/1017631549.db2.gz LOXURTRCIRZVCG-NNUHMIRASA-N -1 0 318.395 -0.859 20 0 DBADRM C[S@@](=O)CCNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599776953 1017631621 /nfs/dbraw/zinc/63/16/21/1017631621.db2.gz NXUZYQQKBADIRT-HXNGOWOSSA-N -1 0 315.355 -0.689 20 0 DBADRM C[S@](=O)c1nncn1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001599780510 1017631722 /nfs/dbraw/zinc/63/17/22/1017631722.db2.gz RTQFHMLUJGSHIO-FQEVSTJZSA-N -1 0 300.340 -0.661 20 0 DBADRM CS(C)(=O)=NC(=O)CNS(=O)(=O)CCCC(=O)[O-] ZINC001599780030 1017631866 /nfs/dbraw/zinc/63/18/66/1017631866.db2.gz PAWFLLYDPHFSFY-UHFFFAOYSA-N -1 0 300.358 -0.975 20 0 DBADRM C[S@@](=O)c1nncn1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001599780511 1017632216 /nfs/dbraw/zinc/63/22/16/1017632216.db2.gz RTQFHMLUJGSHIO-HXUWFJFHSA-N -1 0 300.340 -0.661 20 0 DBADRM CSCc1noc(CCC(=O)N2CC[C@@](O)(C(=O)[O-])C2)n1 ZINC001599804093 1017633536 /nfs/dbraw/zinc/63/35/36/1017633536.db2.gz GOVZQDXATOTKIM-LBPRGKRZSA-N -1 0 315.351 -0.087 20 0 DBADRM CSCC[C@H](C)NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001599795178 1017634535 /nfs/dbraw/zinc/63/45/35/1017634535.db2.gz IBTZASQBJADUJU-GUBZILKMSA-N -1 0 318.395 -0.462 20 0 DBADRM CSC[C@](C)(O)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599790913 1017634862 /nfs/dbraw/zinc/63/48/62/1017634862.db2.gz OWYSXXRWEXVONV-YVZVNANGSA-N -1 0 321.399 -0.623 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001599833907 1017635003 /nfs/dbraw/zinc/63/50/03/1017635003.db2.gz LEYMTKXAZYSXEL-TUAOUCFPSA-N -1 0 300.355 -0.154 20 0 DBADRM CSc1nccnc1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599829704 1017635276 /nfs/dbraw/zinc/63/52/76/1017635276.db2.gz HPFBYEHDDRHLDK-UHFFFAOYSA-N -1 0 312.351 -0.091 20 0 DBADRM CSC[C@H](C)NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001599791841 1017635303 /nfs/dbraw/zinc/63/53/03/1017635303.db2.gz BLXOWOLPYNMRSR-DJLDLDEBSA-N -1 0 304.368 -0.852 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)CO[C@H]1CCOC1 ZINC001599836372 1017636180 /nfs/dbraw/zinc/63/61/80/1017636180.db2.gz HRUSPIJFYSIKBN-UWVGGRQHSA-N -1 0 324.337 -0.681 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001599836739 1017637191 /nfs/dbraw/zinc/63/71/91/1017637191.db2.gz MTZDTPQZTLULQP-IUCAKERBSA-N -1 0 322.321 -0.534 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)C(=O)N(C)C ZINC001599842747 1017637264 /nfs/dbraw/zinc/63/72/64/1017637264.db2.gz XMKYSYZYUOPMFT-SSDOTTSWSA-N -1 0 303.340 -0.522 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)c1ncn(C)n1 ZINC001599836207 1017637432 /nfs/dbraw/zinc/63/74/32/1017637432.db2.gz DCNYPZYSELQORA-ZETCQYMHSA-N -1 0 305.298 -0.466 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)CCn1cccn1 ZINC001599836880 1017637443 /nfs/dbraw/zinc/63/74/43/1017637443.db2.gz ZVFCLGGUBSXUFR-JTQLQIEISA-N -1 0 318.337 -0.200 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]1C(=O)[O-] ZINC001599843560 1017639503 /nfs/dbraw/zinc/63/95/03/1017639503.db2.gz JRSDMGMEARNMLL-VGMNWLOBSA-N -1 0 302.327 -0.054 20 0 DBADRM C[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)nc1)C(=O)[O-] ZINC001599846745 1017639539 /nfs/dbraw/zinc/63/95/39/1017639539.db2.gz QFZXTDJKJXDVRZ-SSDOTTSWSA-N -1 0 302.308 -0.038 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)Cn1cnc(-c2ccccc2)n1)C(=O)[O-] ZINC001599843593 1017639605 /nfs/dbraw/zinc/63/96/05/1017639605.db2.gz LKZDWZXVOIWUNX-SKDRFNHKSA-N -1 0 304.306 -0.105 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CCn2cccn2)C[C@H]1C(=O)[O-] ZINC001599847824 1017639618 /nfs/dbraw/zinc/63/96/18/1017639618.db2.gz HNTJLZDREFOOCL-GHMZBOCLSA-N -1 0 308.338 -0.479 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001599844930 1017639684 /nfs/dbraw/zinc/63/96/84/1017639684.db2.gz YXHIHMLLLHYCKM-LNLATYFQSA-N -1 0 324.337 -0.887 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCOCC2CC2)C[C@@H](C(=O)[O-])O1 ZINC001599850151 1017640853 /nfs/dbraw/zinc/64/08/53/1017640853.db2.gz MHKOLLZDNCVGEF-KOLCDFICSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CO)C2)C[C@H]1CC(=O)[O-] ZINC001599849292 1017641306 /nfs/dbraw/zinc/64/13/06/1017641306.db2.gz IWKSQAPZQVAUOR-GRYCIOLGSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599848209 1017641418 /nfs/dbraw/zinc/64/14/18/1017641418.db2.gz VARAIIUYTANSHN-MXWKQRLJSA-N -1 0 314.338 -0.818 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCOC(C)(C)C2)C[C@@H](C(=O)[O-])O1 ZINC001599849676 1017641467 /nfs/dbraw/zinc/64/14/67/1017641467.db2.gz DWXLIHMJCCMMEQ-ZJUUUORDSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)[C@H](C)C1 ZINC001599848067 1017641865 /nfs/dbraw/zinc/64/18/65/1017641865.db2.gz DPXCDVCWXMUOLR-WISYIIOYSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2F)C[C@@H](C(=O)[O-])O1 ZINC001599851804 1017642999 /nfs/dbraw/zinc/64/29/99/1017642999.db2.gz QFRIMEZLILGEEL-APPZFPTMSA-N -1 0 311.269 -0.140 20 0 DBADRM C[C@@H]1CN(C(=O)C2CN(S(C)(=O)=O)C2)C[C@H]1CC(=O)[O-] ZINC001599854348 1017643154 /nfs/dbraw/zinc/64/31/54/1017643154.db2.gz QLBWBSLHCPPECF-RKDXNWHRSA-N -1 0 304.368 -0.553 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C(=O)[O-] ZINC001599851277 1017643387 /nfs/dbraw/zinc/64/33/87/1017643387.db2.gz QNDCVIKMKCLZME-CKYFFXLPSA-N -1 0 309.366 -0.482 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)C[C@H]1C(=O)[O-] ZINC001599850685 1017643815 /nfs/dbraw/zinc/64/38/15/1017643815.db2.gz OYGDIEODJIQBMT-WISYIIOYSA-N -1 0 311.382 -0.284 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCCn2ccnc2)C[C@H]1CC(=O)[O-] ZINC001599850605 1017643694 /nfs/dbraw/zinc/64/36/94/1017643694.db2.gz XHQWRGBQBPMXRF-VXGBXAGGSA-N -1 0 322.365 -0.041 20 0 DBADRM C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCOCC2)C[C@H]1C(=O)[O-] ZINC001599852460 1017643859 /nfs/dbraw/zinc/64/38/59/1017643859.db2.gz GXWPVWMAGZCOGL-NXEZZACHSA-N -1 0 319.379 -0.241 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCc2cccnc2)C[C@H]1C(=O)[O-] ZINC001599850467 1017643904 /nfs/dbraw/zinc/64/39/04/1017643904.db2.gz QDWULXVSKUWJOO-ZYHUDNBSSA-N -1 0 305.334 -0.081 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CCC[C@H]32)C[C@@H](C(=O)[O-])O1 ZINC001599850388 1017643939 /nfs/dbraw/zinc/64/39/39/1017643939.db2.gz AZLFSGKXVAZFSN-OOCWMUITSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@@H](C(=O)[O-])O1 ZINC001599852446 1017644150 /nfs/dbraw/zinc/64/41/50/1017644150.db2.gz GIBCKFPLSJWKPW-YWVKMMECSA-N -1 0 322.321 -0.537 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](O)[C@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001599850998 1017644249 /nfs/dbraw/zinc/64/42/49/1017644249.db2.gz VPZSCXZOHGUGFD-DBIOUOCHSA-N -1 0 314.338 -0.941 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C[C@@H](C(=O)[O-])O1 ZINC001599857660 1017645631 /nfs/dbraw/zinc/64/56/31/1017645631.db2.gz NYPQNRAMMCXBNF-YWVKMMECSA-N -1 0 311.338 -0.367 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCC(=O)N(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599861166 1017646122 /nfs/dbraw/zinc/64/61/22/1017646122.db2.gz SHIBQRYIBSPLMP-ZJUUUORDSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@@H]1CN(c2nnnn2CCOCCF)C[C@@H](C(=O)[O-])O1 ZINC001599871372 1017647499 /nfs/dbraw/zinc/64/74/99/1017647499.db2.gz JQHPOSFMGVBILK-BDAKNGLRSA-N -1 0 303.294 -0.663 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCC2(S(C)(=O)=O)CC2)O[C@H]1C(=O)[O-] ZINC001599875451 1017649571 /nfs/dbraw/zinc/64/95/71/1017649571.db2.gz VQJGMAFREXDHNF-IWSPIJDZSA-N -1 0 305.352 -0.442 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC2CC(N3CCOCC3)C2)O[C@H]1C(=O)[O-] ZINC001599873770 1017649887 /nfs/dbraw/zinc/64/98/87/1017649887.db2.gz MQGBLDJYHYRWRL-PZVBLHEMSA-N -1 0 312.366 -0.156 20 0 DBADRM C[C@@]12CN(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C[C@@H]1CS(=O)(=O)C2 ZINC001599884465 1017651696 /nfs/dbraw/zinc/65/16/96/1017651696.db2.gz ZSLLGYQXOJQAFQ-PRFIWBCESA-N -1 0 316.379 -0.074 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC001599888966 1017652488 /nfs/dbraw/zinc/65/24/88/1017652488.db2.gz RKAQBUAWTXRNJU-SSDOTTSWSA-N -1 0 304.324 -0.078 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CCCc2n[nH]cc21)C(=O)[O-] ZINC001599895281 1017654899 /nfs/dbraw/zinc/65/48/99/1017654899.db2.gz KTTNHABELMSCHS-CIUDSAMLSA-N -1 0 308.338 -0.076 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)COCc1nccn1C)C(=O)[O-] ZINC001599895731 1017655216 /nfs/dbraw/zinc/65/52/16/1017655216.db2.gz GKZUEFMBXUYUPD-IUCAKERBSA-N -1 0 312.326 -0.969 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1COC2(CCC2)C1)C(=O)[O-] ZINC001599896244 1017655322 /nfs/dbraw/zinc/65/53/22/1017655322.db2.gz JPZJFHVWSFAQMH-GUBZILKMSA-N -1 0 313.354 -0.025 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC001599895410 1017655584 /nfs/dbraw/zinc/65/55/84/1017655584.db2.gz QNYNHILWTWTEIP-XHNCKOQMSA-N -1 0 320.367 -0.952 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCOC2(CCC2)C1)C(=O)[O-] ZINC001599897332 1017656579 /nfs/dbraw/zinc/65/65/79/1017656579.db2.gz YSDSZBOYFMDOIF-UWVGGRQHSA-N -1 0 313.354 -0.071 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCC1([S@@](C)=O)CC1)C(=O)[O-] ZINC001599897025 1017656820 /nfs/dbraw/zinc/65/68/20/1017656820.db2.gz SRNXROVNTUWZBB-IQFKYQIUSA-N -1 0 319.383 -0.826 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCCO[C@@H]1CCOC1)C(=O)[O-] ZINC001599897989 1017656963 /nfs/dbraw/zinc/65/69/63/1017656963.db2.gz RBUCYIIOBVOCIS-LPEHRKFASA-N -1 0 317.342 -0.931 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC2(C1)CCOCC2)C(=O)[O-] ZINC001599898229 1017657111 /nfs/dbraw/zinc/65/71/11/1017657111.db2.gz UDAPKSLZCZRBOG-UWVGGRQHSA-N -1 0 313.354 -0.214 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1CCC[C@H]1CCO)C(=O)[O-] ZINC001599897341 1017657140 /nfs/dbraw/zinc/65/71/40/1017657140.db2.gz YVEZCROZAXPBRJ-XWLWVQCSSA-N -1 0 315.370 -0.186 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC(C)(O)CC1)C(=O)[O-] ZINC001599897746 1017657281 /nfs/dbraw/zinc/65/72/81/1017657281.db2.gz LWPYYAISVOAFLH-IUCAKERBSA-N -1 0 301.343 -0.479 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCCCn1ccnc1)C(=O)[O-] ZINC001599897742 1017657324 /nfs/dbraw/zinc/65/73/24/1017657324.db2.gz MPNKWVMCRYQVSD-UWVGGRQHSA-N -1 0 311.342 -0.450 20 0 DBADRM C[C@H](NC(N)=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC(C)(C)C ZINC001599900932 1017658370 /nfs/dbraw/zinc/65/83/70/1017658370.db2.gz BJYFUQSCIZDZEC-YUMQZZPRSA-N -1 0 317.342 -0.266 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(N)c1)C(=O)[O-] ZINC001599900288 1017659660 /nfs/dbraw/zinc/65/96/60/1017659660.db2.gz IIWCOWKHNCRGSA-YUMQZZPRSA-N -1 0 315.351 -0.475 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC001599900316 1017659674 /nfs/dbraw/zinc/65/96/74/1017659674.db2.gz JZOGXOVDDUDZQR-YUMQZZPRSA-N -1 0 301.324 -0.662 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(CCO)CC(F)F)C[C@]1(C)C(=O)[O-] ZINC001599909377 1017661332 /nfs/dbraw/zinc/66/13/32/1017661332.db2.gz NQLWVTGIQCDJPN-SDBXPKJASA-N -1 0 322.308 -0.358 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2nc[nH]n2)CC[C@H]1C(=O)[O-] ZINC001599908992 1017661558 /nfs/dbraw/zinc/66/15/58/1017661558.db2.gz HKXQJVNROIVUNV-DTWKUNHWSA-N -1 0 309.326 -0.668 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)CC[C@H]1C(=O)[O-] ZINC001599909968 1017661716 /nfs/dbraw/zinc/66/17/16/1017661716.db2.gz DZRTVRBRTPQROP-IETSOEAISA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@H]2COCCO2)C[C@]1(C)C(=O)[O-] ZINC001599913552 1017662991 /nfs/dbraw/zinc/66/29/91/1017662991.db2.gz RJQLPGYYGRBXAN-BHDSKKPTSA-N -1 0 314.338 -0.913 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCc2cccnc2)C[C@@H](C(=O)[O-])O1 ZINC001599912593 1017663058 /nfs/dbraw/zinc/66/30/58/1017663058.db2.gz WYBMLORERRAJHJ-JQWIXIFHSA-N -1 0 321.333 -0.559 20 0 DBADRM C[C@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@]1(C)C(=O)[O-] ZINC001599916270 1017663771 /nfs/dbraw/zinc/66/37/71/1017663771.db2.gz VSWAZQXGTIAOCF-XPTSAGLGSA-N -1 0 311.338 -0.112 20 0 DBADRM C[C@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599916408 1017664057 /nfs/dbraw/zinc/66/40/57/1017664057.db2.gz DJPXBLTUXAIFOI-YUMQZZPRSA-N -1 0 313.310 -0.983 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cncc(F)c2)C[C@@H](C(=O)[O-])O1 ZINC001599914132 1017664075 /nfs/dbraw/zinc/66/40/75/1017664075.db2.gz PQQFNYWTOHUVDY-XVKPBYJWSA-N -1 0 311.269 -0.140 20 0 DBADRM C[C@H]1CN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H]1C(=O)[O-] ZINC001599919868 1017665298 /nfs/dbraw/zinc/66/52/98/1017665298.db2.gz QUSCCQNPGKJSNH-LPEHRKFASA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@H]1CN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001599917355 1017665946 /nfs/dbraw/zinc/66/59/46/1017665946.db2.gz OZBRADQEYHXOOH-GUBZILKMSA-N -1 0 320.367 -0.601 20 0 DBADRM C[C@H]1CN(C(=O)NCCNC(=O)c2ccn[nH]2)C[C@]1(C)C(=O)[O-] ZINC001599920332 1017666162 /nfs/dbraw/zinc/66/61/62/1017666162.db2.gz UPOGTOGDCLKMGF-XPTSAGLGSA-N -1 0 323.353 -0.108 20 0 DBADRM C[C@H]1CN(C(=O)NCCC2(O)CCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001599920248 1017666173 /nfs/dbraw/zinc/66/61/73/1017666173.db2.gz KDGLINVPUIOIIG-QWRGUYRKSA-N -1 0 316.354 -0.199 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CC2)C[C@H](C)N1CCO ZINC001599929875 1017667678 /nfs/dbraw/zinc/66/76/78/1017667678.db2.gz AWCZVWHKGAHFPQ-PHIMTYICSA-N -1 0 320.411 -0.432 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CCOCC2CC2)C[C@@H](C(=O)[O-])O1 ZINC001599930733 1017668349 /nfs/dbraw/zinc/66/83/49/1017668349.db2.gz VYWAUGDBVZZTEQ-ONGXEEELSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCOC(C)(C)C2)C[C@@H](C(=O)[O-])O1 ZINC001599930910 1017668360 /nfs/dbraw/zinc/66/83/60/1017668360.db2.gz MJJQGFVCYUTEOG-UWVGGRQHSA-N -1 0 322.383 -0.484 20 0 DBADRM C[C@H]1CN(c2nnc(CCO)n2CC2CC2)C[C@@H](C(=O)[O-])O1 ZINC001599934511 1017668784 /nfs/dbraw/zinc/66/87/84/1017668784.db2.gz GERMTBJMPWOIOU-ONGXEEELSA-N -1 0 310.354 -0.099 20 0 DBADRM C[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1 ZINC001599934127 1017669218 /nfs/dbraw/zinc/66/92/18/1017669218.db2.gz YOXYFKDTDSTZQI-OVZMXSCWSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001599932703 1017669477 /nfs/dbraw/zinc/66/94/77/1017669477.db2.gz PNHLVJMKFCLKHW-YGOYTEALSA-N -1 0 304.368 -0.074 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001599940807 1017671286 /nfs/dbraw/zinc/67/12/86/1017671286.db2.gz SVURQHFTURLWIH-RKDXNWHRSA-N -1 0 324.337 -0.325 20 0 DBADRM C[C@H]1OCCO[C@H]1C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001599936636 1017671509 /nfs/dbraw/zinc/67/15/09/1017671509.db2.gz YTLAWXSOPHQDDN-BXKDBHETSA-N -1 0 324.337 -0.056 20 0 DBADRM Cc1[nH]c(C(=O)CN[C@@]2(C(N)=O)CCOC2)c(C)c1C(=O)[O-] ZINC001599946667 1017671772 /nfs/dbraw/zinc/67/17/72/1017671772.db2.gz CYQKQFRULPKBGZ-AWEZNQCLSA-N -1 0 309.322 -0.254 20 0 DBADRM Cc1nc[nH]c1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599967449 1017671793 /nfs/dbraw/zinc/67/17/93/1017671793.db2.gz FIZUKFVLFWQWQX-VHSXEESVSA-N -1 0 306.322 -0.278 20 0 DBADRM Cc1nc[nH]c1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599967450 1017671944 /nfs/dbraw/zinc/67/19/44/1017671944.db2.gz FIZUKFVLFWQWQX-ZJUUUORDSA-N -1 0 306.322 -0.278 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCOC[C@@H]1CC(N)=O ZINC001599959586 1017672001 /nfs/dbraw/zinc/67/20/01/1017672001.db2.gz WWAALGXXZQJQQK-VIFPVBQESA-N -1 0 309.322 -0.220 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N(C)CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001599940806 1017672112 /nfs/dbraw/zinc/67/21/12/1017672112.db2.gz SVURQHFTURLWIH-IUCAKERBSA-N -1 0 324.337 -0.325 20 0 DBADRM Cc1n[nH]cc1C(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001599969414 1017673394 /nfs/dbraw/zinc/67/33/94/1017673394.db2.gz VKSTYSJEFPYOQV-SECBINFHSA-N -1 0 316.321 -0.045 20 0 DBADRM Cc1n[nH]cc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599969519 1017673401 /nfs/dbraw/zinc/67/34/01/1017673401.db2.gz YNOZMOWBNXQFEI-ZJUUUORDSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1nc[nH]c1CC(=O)N(C)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599968448 1017673408 /nfs/dbraw/zinc/67/34/08/1017673408.db2.gz UVICAMFHVXGTJI-VHSXEESVSA-N -1 0 308.338 -0.444 20 0 DBADRM Cc1nc[nH]c1CC(=O)N(C)CCNc1ccnc(C(=O)[O-])n1 ZINC001599968082 1017673552 /nfs/dbraw/zinc/67/35/52/1017673552.db2.gz JZKZRDKVMHNXAM-UHFFFAOYSA-N -1 0 318.337 -0.259 20 0 DBADRM Cc1c(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)nnn1C ZINC001599977782 1017673934 /nfs/dbraw/zinc/67/39/34/1017673934.db2.gz YNSUYXGJCUFVSY-SECBINFHSA-N -1 0 319.325 -0.109 20 0 DBADRM Cc1c(Br)c(C(=O)N[C@@H](CO)C(=O)[O-])nn1C ZINC001599970758 1017674614 /nfs/dbraw/zinc/67/46/14/1017674614.db2.gz XJTUDICEDTWBID-YFKPBYRVSA-N -1 0 306.116 -0.334 20 0 DBADRM Cc1nc[nH]c1C(=O)N(C)CCNc1ccnc(C(=O)[O-])n1 ZINC001599967923 1017675043 /nfs/dbraw/zinc/67/50/43/1017675043.db2.gz QVYJCVZNSUJEJJ-UHFFFAOYSA-N -1 0 304.310 -0.188 20 0 DBADRM Cc1c(C(=O)[O-])sc2[nH]c(CNC(CO)CO)nc(=O)c12 ZINC001600005428 1017676150 /nfs/dbraw/zinc/67/61/50/1017676150.db2.gz RMAXQRXBTFITBB-UHFFFAOYSA-N -1 0 313.335 -0.566 20 0 DBADRM Cc1nn(CC(=O)NCc2cc(C(=O)[O-])c(C)n2C)c(=O)n1C ZINC001599991780 1017676178 /nfs/dbraw/zinc/67/61/78/1017676178.db2.gz WBFGUCGXZLNZQG-UHFFFAOYSA-N -1 0 321.337 -0.448 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)Cn2cccnc2=O)n1C ZINC001599990940 1017676227 /nfs/dbraw/zinc/67/62/27/1017676227.db2.gz JEOVPBSKJMJXPU-UHFFFAOYSA-N -1 0 304.306 -0.095 20 0 DBADRM Cc1c(C(=O)[O-])csc1NC(=O)C(=O)NCCOCCO ZINC001600000270 1017676637 /nfs/dbraw/zinc/67/66/37/1017676637.db2.gz DBCZTTICWJABHT-UHFFFAOYSA-N -1 0 316.335 -0.182 20 0 DBADRM Cc1c(C(=O)OCC(=O)CCC(=O)[O-])nnn1-c1ccn(C)n1 ZINC001600006331 1017676655 /nfs/dbraw/zinc/67/66/55/1017676655.db2.gz HUGNYRDINZQWSW-UHFFFAOYSA-N -1 0 321.293 -0.100 20 0 DBADRM Cc1c(C(=O)[O-])sc2[nH]c(CN(C)CC(N)=O)nc(=O)c12 ZINC001600003351 1017676689 /nfs/dbraw/zinc/67/66/89/1017676689.db2.gz UBYWZNFPZVIABH-UHFFFAOYSA-N -1 0 310.335 -0.092 20 0 DBADRM Cc1c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nnn1C ZINC001599983280 1017676987 /nfs/dbraw/zinc/67/69/87/1017676987.db2.gz IULSXJBUPQQWFX-KYXWUPHJSA-N -1 0 321.337 -0.779 20 0 DBADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCO[C@H](C(N)=O)C1 ZINC001600016414 1017677971 /nfs/dbraw/zinc/67/79/71/1017677971.db2.gz QCOCMRVYGUAWTN-ZETCQYMHSA-N -1 0 302.718 -0.313 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)cnn1CC(=O)[O-] ZINC001600024373 1017678014 /nfs/dbraw/zinc/67/80/14/1017678014.db2.gz IJAUCSWSORMDBK-LKFCYVNXSA-N -1 0 322.321 -0.945 20 0 DBADRM Cc1c(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)nnn1C ZINC001600006517 1017678145 /nfs/dbraw/zinc/67/81/45/1017678145.db2.gz JYKQQAUEFWXNTA-SECBINFHSA-N -1 0 310.310 -0.254 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cnn1C ZINC001600010553 1017678600 /nfs/dbraw/zinc/67/86/00/1017678600.db2.gz PYMMTHCEKUHSNO-ONGXEEELSA-N -1 0 308.338 -0.334 20 0 DBADRM Cc1c(NC(=O)C(=O)NC(C)(CO)CO)cccc1C(=O)[O-] ZINC001600024305 1017678613 /nfs/dbraw/zinc/67/86/13/1017678613.db2.gz COGCJUHKKSLTKA-UHFFFAOYSA-N -1 0 310.306 -0.509 20 0 DBADRM Cc1c(CC(=O)NCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])cnn1C ZINC001600011855 1017678657 /nfs/dbraw/zinc/67/86/57/1017678657.db2.gz SUYCMSRQZFOGQE-RYUDHWBXSA-N -1 0 322.365 -0.434 20 0 DBADRM Cc1c([C@@H](C)NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cnn1C ZINC001600009244 1017678956 /nfs/dbraw/zinc/67/89/56/1017678956.db2.gz UJPWYIHWJRZZNK-SCZZXKLOSA-N -1 0 308.338 -0.161 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCC[C@@H](C)O)cnn1CC(=O)[O-] ZINC001600028726 1017679842 /nfs/dbraw/zinc/67/98/42/1017679842.db2.gz KUVXWZDKCGVXMF-MRVPVSSYSA-N -1 0 312.326 -0.508 20 0 DBADRM Cc1c(NC(=O)C(=O)NCC[C@@H]2CCOC2)cnn1CC(=O)[O-] ZINC001600029272 1017680013 /nfs/dbraw/zinc/68/00/13/1017680013.db2.gz UUEFPZIWHPOVIY-SNVBAGLBSA-N -1 0 324.337 -0.243 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCOC2CCC2)cnn1CC(=O)[O-] ZINC001600028848 1017680121 /nfs/dbraw/zinc/68/01/21/1017680121.db2.gz MQBGZJYBHYRHNE-UHFFFAOYSA-N -1 0 324.337 -0.100 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@]2(C)CCOC2=O)cnn1CC(=O)[O-] ZINC001600028899 1017680257 /nfs/dbraw/zinc/68/02/57/1017680257.db2.gz UJOXAAGOKXUPEQ-CYBMUJFWSA-N -1 0 324.293 -0.964 20 0 DBADRM Cc1c[nH]c(=O)c(CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC001600061188 1017681362 /nfs/dbraw/zinc/68/13/62/1017681362.db2.gz ZRPMCYNIMGPFLE-IUCAKERBSA-N -1 0 324.337 -0.127 20 0 DBADRM Cc1c[nH]c(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600060473 1017681735 /nfs/dbraw/zinc/68/17/35/1017681735.db2.gz KDFZXURHUIOMHV-ZJUUUORDSA-N -1 0 306.322 -0.278 20 0 DBADRM Cc1cc(C(=O)N2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)on1 ZINC001600079809 1017681777 /nfs/dbraw/zinc/68/17/77/1017681777.db2.gz AFAOVCAUXHXHFD-UWVGGRQHSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1cc(=O)c(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c[nH]1 ZINC001600065228 1017682039 /nfs/dbraw/zinc/68/20/39/1017682039.db2.gz DSLOWIJIEBSYKF-NXEZZACHSA-N -1 0 319.317 -0.655 20 0 DBADRM Cc1cc(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n(C)n1 ZINC001600077524 1017682391 /nfs/dbraw/zinc/68/23/91/1017682391.db2.gz OAJVCMHGODGFKC-QWRGUYRKSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001600066838 1017682488 /nfs/dbraw/zinc/68/24/88/1017682488.db2.gz QGAUVDXCXWZNCJ-SNVBAGLBSA-N -1 0 319.317 -0.078 20 0 DBADRM Cc1cc(C(=O)NCc2nnc3n2CCNC3=O)oc1C(=O)[O-] ZINC001600095346 1017683349 /nfs/dbraw/zinc/68/33/49/1017683349.db2.gz HLBWZFYACHNEMG-UHFFFAOYSA-N -1 0 319.277 -0.449 20 0 DBADRM Cc1cc(C(=O)NC[C@H](O)CC(=O)[O-])ccc1-n1cnnn1 ZINC001600091754 1017683634 /nfs/dbraw/zinc/68/36/34/1017683634.db2.gz GNDZKQBETMPVPZ-SNVBAGLBSA-N -1 0 305.294 -0.464 20 0 DBADRM Cc1cc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)n(C)n1 ZINC001600090151 1017684155 /nfs/dbraw/zinc/68/41/55/1017684155.db2.gz YARJWTJWAKOPDD-UHFFFAOYSA-N -1 0 315.351 -0.510 20 0 DBADRM Cc1cc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)ncc1C(N)=O ZINC001600081419 1017684400 /nfs/dbraw/zinc/68/44/00/1017684400.db2.gz VGJJRYOAGXSDDJ-BDAKNGLRSA-N -1 0 307.306 -0.603 20 0 DBADRM Cc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)ncn1 ZINC001600081499 1017684433 /nfs/dbraw/zinc/68/44/33/1017684433.db2.gz WKDTZEAFLUWUHO-VHSXEESVSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1cc([C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(=O)[O-])ccc1F ZINC001600150697 1017685217 /nfs/dbraw/zinc/68/52/17/1017685217.db2.gz PCQSMDUEDAILSX-ONGXEEELSA-N -1 0 323.280 -0.026 20 0 DBADRM Cc1cc(C)c(CC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c(=O)[nH]1 ZINC001600160099 1017685300 /nfs/dbraw/zinc/68/53/00/1017685300.db2.gz JTKVGJCINPICGA-LLVKDONJSA-N -1 0 321.333 -0.300 20 0 DBADRM Cc1cc(C(=O)N[C@H](C)CNc2ccnc(C(=O)[O-])n2)[nH]n1 ZINC001600097572 1017685542 /nfs/dbraw/zinc/68/55/42/1017685542.db2.gz RAVOOQLOHFOUIT-MRVPVSSYSA-N -1 0 304.310 -0.141 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])ccc1-n1cnnn1 ZINC001600097582 1017685615 /nfs/dbraw/zinc/68/56/15/1017685615.db2.gz RIUWHAJODABJNH-CMPLNLGQSA-N -1 0 317.305 -0.057 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2CCN(Cc3nc[nH]n3)CC2)n1 ZINC001600125865 1017685639 /nfs/dbraw/zinc/68/56/39/1017685639.db2.gz BSWJZKXSFKJZJH-UHFFFAOYSA-N -1 0 303.326 -0.076 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC001600130485 1017685826 /nfs/dbraw/zinc/68/58/26/1017685826.db2.gz FGIXWOIMZIMGRF-UHFFFAOYSA-N -1 0 317.323 -0.752 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001600133686 1017685835 /nfs/dbraw/zinc/68/58/35/1017685835.db2.gz ODQHJURHMGUUIM-UHFFFAOYSA-N -1 0 317.261 -0.053 20 0 DBADRM Cc1cc(C(=O)N[C@@H](CO)C(N)=O)cc(C)c1OCC(=O)[O-] ZINC001600097567 1017685931 /nfs/dbraw/zinc/68/59/31/1017685931.db2.gz OMYXFWBXDHYLRT-JTQLQIEISA-N -1 0 310.306 -0.657 20 0 DBADRM Cc1cc(C(=O)[O-])c(NC(=O)C(=O)NCC(=O)N(C)C)s1 ZINC001600102337 1017686067 /nfs/dbraw/zinc/68/60/67/1017686067.db2.gz ABQZYVRVQVQUDX-UHFFFAOYSA-N -1 0 313.335 -0.102 20 0 DBADRM Cc1cc(CCNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)nn1C ZINC001600187901 1017687054 /nfs/dbraw/zinc/68/70/54/1017687054.db2.gz MKBZRCZHOJHUEP-HNNXBMFYSA-N -1 0 322.365 -0.290 20 0 DBADRM Cc1cc(C)n(CC(=O)N(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600177312 1017687371 /nfs/dbraw/zinc/68/73/71/1017687371.db2.gz CLPBTZFRTSXAIU-NEPJUHHUSA-N -1 0 322.365 -0.205 20 0 DBADRM Cc1cc(C)n([C@@H](C)C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC001600177815 1017687477 /nfs/dbraw/zinc/68/74/77/1017687477.db2.gz NQSDACOKJGCZDB-WDEREUQCSA-N -1 0 308.338 -0.137 20 0 DBADRM Cc1cc(CC(=O)N(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])[nH]n1 ZINC001600187656 1017687543 /nfs/dbraw/zinc/68/75/43/1017687543.db2.gz XHYBMIAJSFAJIT-WDEREUQCSA-N -1 0 308.338 -0.444 20 0 DBADRM Cc1cc(CC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)no1 ZINC001600187043 1017687626 /nfs/dbraw/zinc/68/76/26/1017687626.db2.gz ISFVCINNEGBVSW-JOYOIKCWSA-N -1 0 316.335 -0.470 20 0 DBADRM Cc1cc(CC(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)no1 ZINC001600187520 1017687744 /nfs/dbraw/zinc/68/77/44/1017687744.db2.gz MERAGMFUBSMHSP-MNOVXSKESA-N -1 0 307.306 -0.427 20 0 DBADRM Cc1cc(CC(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])[nH]n1 ZINC001600187653 1017687786 /nfs/dbraw/zinc/68/77/86/1017687786.db2.gz XHYBMIAJSFAJIT-GHMZBOCLSA-N -1 0 308.338 -0.444 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c(=O)n1 ZINC001600178552 1017687879 /nfs/dbraw/zinc/68/78/79/1017687879.db2.gz ZNJJQWKLOZUCHC-JQWIXIFHSA-N -1 0 309.322 -0.703 20 0 DBADRM Cc1cc(C(=O)N[C@@H](CO)C(=O)[O-])nn1-c1nc(C)cc(C)n1 ZINC001600181938 1017687982 /nfs/dbraw/zinc/68/79/82/1017687982.db2.gz ROXSMLJEIGTVPQ-NSHDSACASA-N -1 0 319.321 -0.237 20 0 DBADRM Cc1cc(C)nc(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001600183174 1017688086 /nfs/dbraw/zinc/68/80/86/1017688086.db2.gz URMVJBYIWPPCEH-WDEREUQCSA-N -1 0 321.333 -0.069 20 0 DBADRM Cc1cc(CS(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)on1 ZINC001600215717 1017689420 /nfs/dbraw/zinc/68/94/20/1017689420.db2.gz JZLAYYCFBGKYIP-LLVKDONJSA-N -1 0 304.324 -0.106 20 0 DBADRM Cc1cc(N(C)CCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])nc(CO)n1 ZINC001600235640 1017689592 /nfs/dbraw/zinc/68/95/92/1017689592.db2.gz HCKJEMULQHMHJY-QWRGUYRKSA-N -1 0 322.365 -0.059 20 0 DBADRM Cc1cc(CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])ncn1 ZINC001600201674 1017689745 /nfs/dbraw/zinc/68/97/45/1017689745.db2.gz MQKGECAMRMPHQK-IUCAKERBSA-N -1 0 309.326 -0.438 20 0 DBADRM Cc1cc(F)ccc1[C@@H](C)NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600233425 1017690581 /nfs/dbraw/zinc/69/05/81/1017690581.db2.gz FLWYBCPFCUBOLI-SECBINFHSA-N -1 0 324.308 -0.031 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@](C)(O)CO)ccc1C(=O)[O-] ZINC001600247261 1017691332 /nfs/dbraw/zinc/69/13/32/1017691332.db2.gz QVQRDFCXSXUBMS-AWEZNQCLSA-N -1 0 310.306 -0.509 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c(C(=O)[O-])[nH]1 ZINC001600244278 1017691407 /nfs/dbraw/zinc/69/14/07/1017691407.db2.gz BIPCSRSZDOBPJO-HTQZYQBOSA-N -1 0 321.289 -0.409 20 0 DBADRM Cc1cc(N2CC[C@@H](n3cc(CC(=O)[O-])nn3)C2=O)n(C)n1 ZINC001600239821 1017691699 /nfs/dbraw/zinc/69/16/99/1017691699.db2.gz DPLIABSSJPMXAG-SNVBAGLBSA-N -1 0 304.310 -0.075 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)c(C(=O)[O-])[nH]1 ZINC001600243152 1017691861 /nfs/dbraw/zinc/69/18/61/1017691861.db2.gz FLUPHRHOLPATMW-SSDOTTSWSA-N -1 0 308.294 -0.706 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)c(C(=O)[O-])[nH]1 ZINC001600243987 1017692126 /nfs/dbraw/zinc/69/21/26/1017692126.db2.gz NJZMFGXDCYRSNK-DTORHVGOSA-N -1 0 323.305 -0.414 20 0 DBADRM Cc1cc(N2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)cn(C)c1=O ZINC001600237131 1017692137 /nfs/dbraw/zinc/69/21/37/1017692137.db2.gz LJSMIODJMBNEAW-OPRDCNLKSA-N -1 0 305.290 -0.161 20 0 DBADRM Cc1cc(N2CC[C@H](N3CC[C@@](O)(C(=O)[O-])C3)C2=O)n(C)n1 ZINC001600237661 1017692269 /nfs/dbraw/zinc/69/22/69/1017692269.db2.gz DJPLCJCQTFTPCE-HZMBPMFUSA-N -1 0 308.338 -0.645 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cn(C)c1=O ZINC001600243437 1017692335 /nfs/dbraw/zinc/69/23/35/1017692335.db2.gz HWNHHYOWDUCBEB-KOLCDFICSA-N -1 0 321.333 -0.046 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c(=O)n(C)c1 ZINC001600245036 1017692339 /nfs/dbraw/zinc/69/23/39/1017692339.db2.gz HTOYLYOCFQIVIU-SNVBAGLBSA-N -1 0 307.306 -0.292 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])cn2ccnc12 ZINC001600248390 1017693410 /nfs/dbraw/zinc/69/34/10/1017693410.db2.gz HBWYVUZNOBIBEQ-SNVBAGLBSA-N -1 0 320.305 -0.467 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001600284283 1017693426 /nfs/dbraw/zinc/69/34/26/1017693426.db2.gz DEPBCVINPHOIJN-FZMZJTMJSA-N -1 0 324.333 -0.311 20 0 DBADRM Cc1cc(NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n2ncnc2n1 ZINC001600280926 1017693657 /nfs/dbraw/zinc/69/36/57/1017693657.db2.gz JMQVXASGKOAYRD-RKDXNWHRSA-N -1 0 304.310 -0.318 20 0 DBADRM Cc1cc(NC(=O)CS(=O)(=O)CCCC(=O)[O-])n(C)n1 ZINC001600256669 1017693957 /nfs/dbraw/zinc/69/39/57/1017693957.db2.gz BUDCPEZLKWTAGB-UHFFFAOYSA-N -1 0 303.340 -0.053 20 0 DBADRM Cc1cc(NCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])nc(CO)n1 ZINC001600281358 1017694021 /nfs/dbraw/zinc/69/40/21/1017694021.db2.gz ZPSWNUNAEVUOMJ-UWVGGRQHSA-N -1 0 308.338 -0.132 20 0 DBADRM Cc1cc(NC(=O)CN[C@@H](C(=O)[O-])c2ccnn2C)n(C)n1 ZINC001600256478 1017694354 /nfs/dbraw/zinc/69/43/54/1017694354.db2.gz PQPDVVXWULGFKL-GFCCVEGCSA-N -1 0 306.326 -0.184 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@]2(C)CCNC2=O)oc1C(=O)[O-] ZINC001600297616 1017695756 /nfs/dbraw/zinc/69/57/56/1017695756.db2.gz SZTTZHOILWAWBY-LLVKDONJSA-N -1 0 302.308 -0.157 20 0 DBADRM Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001600331516 1017697541 /nfs/dbraw/zinc/69/75/41/1017697541.db2.gz GLZHJAKCCHBNBY-GHMZBOCLSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1ccc([C@H](C)CNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001600369424 1017697713 /nfs/dbraw/zinc/69/77/13/1017697713.db2.gz NLVYLRFCNHRKGE-LLVKDONJSA-N -1 0 320.345 -0.127 20 0 DBADRM Cc1c(CC(=O)N[C@@H](CO)C(=O)[O-])nnn1-c1ccc(C)cc1 ZINC001600324235 1017697722 /nfs/dbraw/zinc/69/77/22/1017697722.db2.gz GMTOTCJFVHSFDO-ZDUSSCGKSA-N -1 0 318.333 -0.012 20 0 DBADRM Cc1ccc(C(N)=O)cc1NC(=O)NCC(=O)NCC(=O)[O-] ZINC001600378700 1017697949 /nfs/dbraw/zinc/69/79/49/1017697949.db2.gz MJROGASRRFWASR-UHFFFAOYSA-N -1 0 308.294 -0.584 20 0 DBADRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1S(N)(=O)=O ZINC001600342247 1017697978 /nfs/dbraw/zinc/69/79/78/1017697978.db2.gz GVYOPGRXZMPHAX-XCBNKYQSSA-N -1 0 316.335 -0.794 20 0 DBADRM Cc1ccc([C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C(=O)[O-])cc1 ZINC001600375932 1017698398 /nfs/dbraw/zinc/69/83/98/1017698398.db2.gz ANTGAMLEWWZPSE-MNOVXSKESA-N -1 0 319.317 -0.122 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1C[C@@H](O)[C@H](CO)C1 ZINC001600355542 1017698470 /nfs/dbraw/zinc/69/84/70/1017698470.db2.gz WZQLWBFDNBSXAW-WCQYABFASA-N -1 0 308.334 -0.083 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)[C@H](C)c2nnnn2C)c1[O-] ZINC001498257290 1017698726 /nfs/dbraw/zinc/69/87/26/1017698726.db2.gz BXPNCAAYCYEZNP-IONNQARKSA-N -1 0 322.373 -0.241 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)c(C(=O)[O-])c1 ZINC001600439560 1017699495 /nfs/dbraw/zinc/69/94/95/1017699495.db2.gz HCMSKSGKVYKLTB-VIFPVBQESA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H](O)C2)cc1C(=O)[O-] ZINC001600477918 1017699565 /nfs/dbraw/zinc/69/95/65/1017699565.db2.gz FXDXLWHQHXWHRA-AOOOYVTPSA-N -1 0 315.347 -0.191 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)c(C(=O)[O-])c1 ZINC001600482039 1017699855 /nfs/dbraw/zinc/69/98/55/1017699855.db2.gz XVXWTIGCFCDGHQ-ZJUUUORDSA-N -1 0 301.320 -0.269 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)CO)cc1C(=O)[O-] ZINC001600442712 1017699914 /nfs/dbraw/zinc/69/99/14/1017699914.db2.gz MZBIQUQSMCXLBN-CQSZACIVSA-N -1 0 310.306 -0.509 20 0 DBADRM Cc1ccc2ncc(C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])c(=O)n2c1 ZINC001600503287 1017700077 /nfs/dbraw/zinc/70/00/77/1017700077.db2.gz AJFPNKRGHJZTBD-KOLCDFICSA-N -1 0 317.301 -0.337 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c(=O)[nH]1 ZINC001600438858 1017700161 /nfs/dbraw/zinc/70/01/61/1017700161.db2.gz GIPBDCUERLSBRC-VHSXEESVSA-N -1 0 323.305 -0.529 20 0 DBADRM Cc1ccc(N2C[C@H](C(=O)NC[C@H](O)C(=O)[O-])CC2=O)cc1 ZINC001600436243 1017700438 /nfs/dbraw/zinc/70/04/38/1017700438.db2.gz VPGYOENLUYBSQW-PWSUYJOCSA-N -1 0 306.318 -0.090 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NCc2nnn(C)n2)c(C(=O)[O-])c1 ZINC001600441861 1017700579 /nfs/dbraw/zinc/70/05/79/1017700579.db2.gz QMVCHNULUBAOHB-UHFFFAOYSA-N -1 0 318.293 -0.528 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001600595650 1017700806 /nfs/dbraw/zinc/70/08/06/1017700806.db2.gz LPRHRZFVTSXERD-JTQLQIEISA-N -1 0 321.333 -0.045 20 0 DBADRM Cc1cccc2c(O)c(C(=O)NCC(=O)NCC(=O)[O-])cnc12 ZINC001600555171 1017700894 /nfs/dbraw/zinc/70/08/94/1017700894.db2.gz VMZQIWPMJYNFMS-UHFFFAOYSA-N -1 0 317.301 -0.233 20 0 DBADRM Cc1cccc2c1C[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])CO2 ZINC001600553704 1017700939 /nfs/dbraw/zinc/70/09/39/1017700939.db2.gz DBPJCNTXTKBKOO-ONGXEEELSA-N -1 0 324.308 -0.046 20 0 DBADRM Cc1cccc2c(=O)n(CC(=O)N3CC(O)(C(=O)[O-])C3)cnc12 ZINC001600555951 1017702316 /nfs/dbraw/zinc/70/23/16/1017702316.db2.gz VGXHLAPWQAXRSC-UHFFFAOYSA-N -1 0 317.301 -0.637 20 0 DBADRM Cc1cccc(S(=O)(=O)N2C[C@H](O)C[C@H](O)C2)c1C(=O)[O-] ZINC001600551681 1017702447 /nfs/dbraw/zinc/70/24/47/1017702447.db2.gz XXVAHOYLXUTLPQ-AOOOYVTPSA-N -1 0 315.347 -0.191 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)N[C@H](CCF)C(=O)[O-])c(=O)c1 ZINC001600595658 1017702481 /nfs/dbraw/zinc/70/24/81/1017702481.db2.gz SCXBXOCGCACXFE-QMTHXVAHSA-N -1 0 314.313 -0.163 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600611205 1017702678 /nfs/dbraw/zinc/70/26/78/1017702678.db2.gz BLNZIOFXNJYMHD-DBIOUOCHSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1ccnn1CC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001600607745 1017702728 /nfs/dbraw/zinc/70/27/28/1017702728.db2.gz PIPFKGFTXWIHOA-OAHLLOKOSA-N -1 0 322.365 -0.421 20 0 DBADRM Cc1cn(C)nc1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600611282 1017702917 /nfs/dbraw/zinc/70/29/17/1017702917.db2.gz FDLXMRAMZKORML-NXEZZACHSA-N -1 0 308.338 -0.315 20 0 DBADRM Cc1ccnc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600597808 1017703633 /nfs/dbraw/zinc/70/36/33/1017703633.db2.gz RZOOYBKRPYSBCT-MNOVXSKESA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N(CC(=O)[O-])C1CC1 ZINC001600625128 1017704818 /nfs/dbraw/zinc/70/48/18/1017704818.db2.gz ALRLBEJFTVMBOA-UHFFFAOYSA-N -1 0 313.335 -0.122 20 0 DBADRM Cc1cnc(COCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])o1 ZINC001600621552 1017705327 /nfs/dbraw/zinc/70/53/27/1017705327.db2.gz DQBKFTZOQMMGFV-VIFPVBQESA-N -1 0 311.294 -0.699 20 0 DBADRM Cc1cnc(COCC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])o1 ZINC001600621853 1017705505 /nfs/dbraw/zinc/70/55/05/1017705505.db2.gz VMIWOTBJCUGJST-SECBINFHSA-N -1 0 311.294 -0.747 20 0 DBADRM CCn1ccnc1C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001498266405 1017705621 /nfs/dbraw/zinc/70/56/21/1017705621.db2.gz MJNOKIMYGWZXJD-VIFPVBQESA-N -1 0 307.358 -0.023 20 0 DBADRM Cc1cnc2nc(C(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)nn2c1 ZINC001600626719 1017705949 /nfs/dbraw/zinc/70/59/49/1017705949.db2.gz CAMUUJKEXUQDDB-BDAKNGLRSA-N -1 0 305.294 -0.253 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600635774 1017706905 /nfs/dbraw/zinc/70/69/05/1017706905.db2.gz WYHDXZSZGUAFLH-QWRGUYRKSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600635820 1017707032 /nfs/dbraw/zinc/70/70/32/1017707032.db2.gz YOWAZXLAHLIKDN-NXEZZACHSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1cncn1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600631568 1017707215 /nfs/dbraw/zinc/70/72/15/1017707215.db2.gz CXUUTWRKNUKCTR-KXNHARMFSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1cnccc1CC(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600631189 1017707602 /nfs/dbraw/zinc/70/76/02/1017707602.db2.gz WFDDVCFWBHPAMN-OLZOCXBDSA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])n1 ZINC001600628865 1017707625 /nfs/dbraw/zinc/70/76/25/1017707625.db2.gz WQXYQRQUQOXHRG-GFCCVEGCSA-N -1 0 320.349 -0.091 20 0 DBADRM Cc1cnccc1CNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001600629699 1017708094 /nfs/dbraw/zinc/70/80/94/1017708094.db2.gz HMADSGPCTVOYSP-NEPJUHHUSA-N -1 0 321.333 -0.700 20 0 DBADRM Cc1cncc(CC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001600629316 1017708144 /nfs/dbraw/zinc/70/81/44/1017708144.db2.gz PPESHHAAQDXPDF-CHWSQXEVSA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1cnoc1C(=O)NC[C@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001600638045 1017708825 /nfs/dbraw/zinc/70/88/25/1017708825.db2.gz WCPLTTJMIAUJAJ-VIFPVBQESA-N -1 0 321.293 -0.326 20 0 DBADRM Cc1conc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600643057 1017709035 /nfs/dbraw/zinc/70/90/35/1017709035.db2.gz AZEMTTDKBPNAQT-ZJUUUORDSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H]1CCCN(CC(N)=O)C1 ZINC001600642484 1017709384 /nfs/dbraw/zinc/70/93/84/1017709384.db2.gz RWTMIRLRGDRCEM-JTQLQIEISA-N -1 0 323.349 -0.105 20 0 DBADRM Cc1conc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600644538 1017709440 /nfs/dbraw/zinc/70/94/40/1017709440.db2.gz ZMWGJFBCUJZLLC-ZJUUUORDSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1conc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600643052 1017709464 /nfs/dbraw/zinc/70/94/64/1017709464.db2.gz AZEMTTDKBPNAQT-NXEZZACHSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NCCCN1CCNC(=O)C1 ZINC001600643639 1017709891 /nfs/dbraw/zinc/70/98/91/1017709891.db2.gz MFZFFEXLYLKLOX-UHFFFAOYSA-N -1 0 323.349 -0.233 20 0 DBADRM Cc1csc(=O)n1CCN1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001600645980 1017710027 /nfs/dbraw/zinc/71/00/27/1017710027.db2.gz QRTXHOXYLBTNAC-JTQLQIEISA-N -1 0 313.379 -0.117 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C2CC2)C2COC2)c1C(=O)[O-] ZINC001600670018 1017710776 /nfs/dbraw/zinc/71/07/76/1017710776.db2.gz IKLGXCGSTXVWTE-UHFFFAOYSA-N -1 0 301.324 -0.032 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600667669 1017710801 /nfs/dbraw/zinc/71/08/01/1017710801.db2.gz HMKZRDGUDPIDDW-NEPJUHHUSA-N -1 0 320.349 -0.383 20 0 DBADRM Cc1nnc(CNC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CCC2)[nH]1 ZINC001600670209 1017712042 /nfs/dbraw/zinc/71/20/42/1017712042.db2.gz CKPTYFUEEQTPST-UWVGGRQHSA-N -1 0 307.354 -0.038 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCc2ncn(C)n2)c1C(=O)[O-] ZINC001600674818 1017713182 /nfs/dbraw/zinc/71/31/82/1017713182.db2.gz WXHDZGCSHTYYTF-UHFFFAOYSA-N -1 0 300.300 -0.977 20 0 DBADRM Cc1nc(SCC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001600674120 1017713500 /nfs/dbraw/zinc/71/35/00/1017713500.db2.gz BNIAMKBGQMFWBW-HTQZYQBOSA-N -1 0 300.340 -0.501 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c1C(=O)[O-] ZINC001600672628 1017713538 /nfs/dbraw/zinc/71/35/38/1017713538.db2.gz INMUMJOYMGCSBN-DDPPWCJCSA-N -1 0 319.364 -0.690 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H]2CCC[C@@H]2CO)c1C(=O)[O-] ZINC001600673922 1017714441 /nfs/dbraw/zinc/71/44/41/1017714441.db2.gz FGMQAWWPTPSDHF-HTQZYQBOSA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]1 ZINC001600671527 1017715388 /nfs/dbraw/zinc/71/53/88/1017715388.db2.gz MASSPFVPCSSMII-KYXWUPHJSA-N -1 0 321.337 -0.860 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCC[C@@H](C)[S@](C)=O)c1C(=O)[O-] ZINC001600673753 1017715437 /nfs/dbraw/zinc/71/54/37/1017715437.db2.gz MTXJDAXIUIBSRI-YIVBRQOJSA-N -1 0 323.396 -0.148 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@@]3(O)C[C@H]3C2)c1C(=O)[O-] ZINC001600672363 1017715485 /nfs/dbraw/zinc/71/54/85/1017715485.db2.gz AIHAHBPUPIBVIP-WRWORJQWSA-N -1 0 301.324 -0.438 20 0 DBADRM Cc1nc(SCC(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])n[nH]1 ZINC001600675246 1017715529 /nfs/dbraw/zinc/71/55/29/1017715529.db2.gz PWAGPFWITAAOAC-CBAPKCEASA-N -1 0 300.340 -0.358 20 0 DBADRM Cc1nn[nH]c1C(=O)NCC=CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600675827 1017715911 /nfs/dbraw/zinc/71/59/11/1017715911.db2.gz RVRMWOWRTXKVMJ-ALCGYSGWSA-N -1 0 307.310 -0.764 20 0 DBADRM Cc1nc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c[nH]1 ZINC001600681888 1017716459 /nfs/dbraw/zinc/71/64/59/1017716459.db2.gz ASNHAPTTWJVXQH-MRVPVSSYSA-N -1 0 301.324 -0.568 20 0 DBADRM Cc1nn[nH]c1C(=O)NCCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600675770 1017716747 /nfs/dbraw/zinc/71/67/47/1017716747.db2.gz PPLWTSZDGDWZFS-DTWKUNHWSA-N -1 0 309.326 -0.588 20 0 DBADRM Cc1nc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)co1 ZINC001600682042 1017717270 /nfs/dbraw/zinc/71/72/70/1017717270.db2.gz DPXIHIKWUOSPGH-AWEZNQCLSA-N -1 0 309.322 -0.015 20 0 DBADRM Cc1nc(N)nc(C)c1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001600708605 1017718347 /nfs/dbraw/zinc/71/83/47/1017718347.db2.gz FGBQZUSHXCMEEG-UHFFFAOYSA-N -1 0 309.326 -0.614 20 0 DBADRM Cc1nc(C)c(CC(=O)NC[C@]2(C(=O)[O-])CCOC2)c(=O)[nH]1 ZINC001600691777 1017718561 /nfs/dbraw/zinc/71/85/61/1017718561.db2.gz OHBMGZDCSOULLQ-CQSZACIVSA-N -1 0 309.322 -0.051 20 0 DBADRM Cc1nnc(C2CN(S(=O)(=O)c3n[nH]cc3C(=O)[O-])C2)[nH]1 ZINC001600695564 1017718691 /nfs/dbraw/zinc/71/86/91/1017718691.db2.gz XAALYHLZGYTMGI-UHFFFAOYSA-N -1 0 312.311 -0.677 20 0 DBADRM Cc1nc(NC(=O)C(=O)NCCOCC(=O)[O-])sc1C ZINC001600710896 1017718784 /nfs/dbraw/zinc/71/87/84/1017718784.db2.gz UXYZVPIKEPOYIG-UHFFFAOYSA-N -1 0 301.324 -0.084 20 0 DBADRM Cc1nc(CN(C)S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])no1 ZINC001600700485 1017719334 /nfs/dbraw/zinc/71/93/34/1017719334.db2.gz MGTKUTCKUKEARH-UHFFFAOYSA-N -1 0 315.311 -0.072 20 0 DBADRM Cc1nc(CN2CC(O)(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)oc1C ZINC001600700009 1017719502 /nfs/dbraw/zinc/71/95/02/1017719502.db2.gz BKKPTXKAZVHUGQ-QWRGUYRKSA-N -1 0 323.349 -0.325 20 0 DBADRM Cc1nc2ccccn2c1CNC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600730198 1017720496 /nfs/dbraw/zinc/72/04/96/1017720496.db2.gz JMIPYYKIUYDQMG-UHFFFAOYSA-N -1 0 304.306 -0.016 20 0 DBADRM Cc1nc2ccnn2c(C)c1CCC(=O)N[C@@H](CO)C(=O)[O-] ZINC001600729647 1017720702 /nfs/dbraw/zinc/72/07/02/1017720702.db2.gz AXBAZWLYPFXPRR-NSHDSACASA-N -1 0 306.322 -0.160 20 0 DBADRM Cc1ncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1C ZINC001600734455 1017720796 /nfs/dbraw/zinc/72/07/96/1017720796.db2.gz WSPCUBUAKJFRSF-GWOFURMSSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H](CO)C(=O)[O-] ZINC001600728787 1017720996 /nfs/dbraw/zinc/72/09/96/1017720996.db2.gz YISDKNAZHUYGDM-NSHDSACASA-N -1 0 305.290 -0.733 20 0 DBADRM Cc1nc2ncnn2c(NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1C ZINC001600731501 1017721464 /nfs/dbraw/zinc/72/14/64/1017721464.db2.gz RPTSGZONDMLDBW-UWVGGRQHSA-N -1 0 318.337 -0.010 20 0 DBADRM Cc1nc2n(n1)CCN(S(=O)(=O)c1cncc(C(=O)[O-])c1)C2 ZINC001600731766 1017721606 /nfs/dbraw/zinc/72/16/06/1017721606.db2.gz IDYJJRHHAQLDIY-UHFFFAOYSA-N -1 0 323.334 -0.116 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001498293228 1017722061 /nfs/dbraw/zinc/72/20/61/1017722061.db2.gz FNADWBBZTLYIKV-RKDXNWHRSA-N -1 0 312.374 -0.639 20 0 DBADRM Cc1nccc(C(=O)NCC2(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001600749173 1017722781 /nfs/dbraw/zinc/72/27/81/1017722781.db2.gz VVSCOPURYSQMFN-UWVGGRQHSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CN(C)C(=O)[C@@H]2C)cc1C(=O)[O-] ZINC001600744904 1017722970 /nfs/dbraw/zinc/72/29/70/1017722970.db2.gz IJMZMMDRODSXMM-QMMMGPOBSA-N -1 0 313.335 -0.103 20 0 DBADRM Cc1ncc(NC(=O)NCCN2CCNC(=O)C2)cc1C(=O)[O-] ZINC001600743156 1017723397 /nfs/dbraw/zinc/72/33/97/1017723397.db2.gz PMVYZKYIAWZLPO-UHFFFAOYSA-N -1 0 321.337 -0.358 20 0 DBADRM Cc1nccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600748636 1017723422 /nfs/dbraw/zinc/72/34/22/1017723422.db2.gz DHCHMRPKJFOAJI-DBIOUOCHSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1ncc(CN2CC(CCO)(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001600736128 1017723563 /nfs/dbraw/zinc/72/35/63/1017723563.db2.gz QFTPRFFIVDHVTE-VXGBXAGGSA-N -1 0 323.349 -0.243 20 0 DBADRM Cc1nccc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1 ZINC001600750407 1017724070 /nfs/dbraw/zinc/72/40/70/1017724070.db2.gz GKXVXKYWCXKNHX-NSHDSACASA-N -1 0 306.322 -0.276 20 0 DBADRM Cc1nccn1CC(=O)NCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001600754861 1017724098 /nfs/dbraw/zinc/72/40/98/1017724098.db2.gz NOFRQOSMBRPJNB-UHFFFAOYSA-N -1 0 318.337 -0.068 20 0 DBADRM Cc1ncoc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600759146 1017724655 /nfs/dbraw/zinc/72/46/55/1017724655.db2.gz UETRUPVKOSFVJK-XXFSISAASA-N -1 0 319.317 -0.110 20 0 DBADRM Cc1ncncc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600758036 1017724821 /nfs/dbraw/zinc/72/48/21/1017724821.db2.gz HZVVZWJCPHUEMO-GHMZBOCLSA-N -1 0 318.333 -0.210 20 0 DBADRM Cc1ncncc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600758640 1017724990 /nfs/dbraw/zinc/72/49/90/1017724990.db2.gz SVKBZPIQUCUGGX-NXEZZACHSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1ncn(C)c1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600758385 1017725430 /nfs/dbraw/zinc/72/54/30/1017725430.db2.gz NJWJVTGXLXXBIT-NXEZZACHSA-N -1 0 308.338 -0.363 20 0 DBADRM Cc1ncc2n1C[C@H](C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-])CC2 ZINC001600749638 1017725605 /nfs/dbraw/zinc/72/56/05/1017725605.db2.gz USYTVBNTFWOENM-PWSUYJOCSA-N -1 0 320.349 -0.492 20 0 DBADRM Cc1nccnc1N1CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC001600757602 1017725617 /nfs/dbraw/zinc/72/56/17/1017725617.db2.gz VJRLYWUERZOXRP-UHFFFAOYSA-N -1 0 307.354 -0.502 20 0 DBADRM Cc1nccc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1 ZINC001600750405 1017725767 /nfs/dbraw/zinc/72/57/67/1017725767.db2.gz GKXVXKYWCXKNHX-LLVKDONJSA-N -1 0 306.322 -0.276 20 0 DBADRM Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600766729 1017726099 /nfs/dbraw/zinc/72/60/99/1017726099.db2.gz HHFPRDAOQWTCJU-UHFFFAOYSA-N -1 0 319.321 -0.506 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1C ZINC001600767443 1017726392 /nfs/dbraw/zinc/72/63/92/1017726392.db2.gz XDCZCXILUFKGIL-UHFFFAOYSA-N -1 0 306.282 -0.605 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001600769655 1017726422 /nfs/dbraw/zinc/72/64/22/1017726422.db2.gz FOPHFFCSPZGMBU-LBPRGKRZSA-N -1 0 322.365 -0.229 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600765712 1017726764 /nfs/dbraw/zinc/72/67/64/1017726764.db2.gz UVJQQLXHCNPDLF-UHFFFAOYSA-N -1 0 303.278 -0.758 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001600768724 1017727065 /nfs/dbraw/zinc/72/70/65/1017727065.db2.gz SNZAYNHBTBMDHZ-SECBINFHSA-N -1 0 315.351 -0.639 20 0 DBADRM Cc1nn(C)cc1C(=O)NCC1(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600775898 1017728443 /nfs/dbraw/zinc/72/84/43/1017728443.db2.gz FGPKGMONRODNLQ-ZJUUUORDSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1nn(C)cc1CC(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001600775597 1017728600 /nfs/dbraw/zinc/72/86/00/1017728600.db2.gz FVIKLKRDPYRONX-LLVKDONJSA-N -1 0 309.322 -0.110 20 0 DBADRM Cc1nn(CC(=O)N2CCSC[C@H](C(=O)[O-])C2)c(=O)o1 ZINC001600778368 1017729058 /nfs/dbraw/zinc/72/90/58/1017729058.db2.gz IFAUJWKJXUWVIT-MRVPVSSYSA-N -1 0 301.324 -0.579 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001600777990 1017729227 /nfs/dbraw/zinc/72/92/27/1017729227.db2.gz UDZKEWWSRQJKBN-WPRPVWTQSA-N -1 0 303.340 -0.673 20 0 DBADRM Cc1nn(C)cc1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600776472 1017729400 /nfs/dbraw/zinc/72/94/00/1017729400.db2.gz PXTMENSYZCHILH-QWRGUYRKSA-N -1 0 320.349 -0.266 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@@H]1NC(=O)O[C@H]1C ZINC001600780855 1017729856 /nfs/dbraw/zinc/72/98/56/1017729856.db2.gz JFDQHRBEZNMPOM-GZMMTYOYSA-N -1 0 310.310 -0.302 20 0 DBADRM Cc1nn(CC(=O)O[C@H](C)C(=O)C(C)(C)C(=O)[O-])c(=O)n1C ZINC001600781559 1017730069 /nfs/dbraw/zinc/73/00/69/1017730069.db2.gz CFEBOHOCHMBZON-SSDOTTSWSA-N -1 0 313.310 -0.498 20 0 DBADRM Cc1nn2cccnc2c1S(=O)(=O)NC[C@H](F)C(=O)[O-] ZINC001600790874 1017730259 /nfs/dbraw/zinc/73/02/59/1017730259.db2.gz RYHFKRXMYMVEOE-ZETCQYMHSA-N -1 0 302.287 -0.261 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001600783125 1017730315 /nfs/dbraw/zinc/73/03/15/1017730315.db2.gz YXTOZONXESUNBC-UHFFFAOYSA-N -1 0 307.310 -0.046 20 0 DBADRM Cc1nn(CCS(=O)(=O)N(CCC(=O)[O-])C(C)C)c(=O)o1 ZINC001600787547 1017730368 /nfs/dbraw/zinc/73/03/68/1017730368.db2.gz IFIICIQPCNTWRU-UHFFFAOYSA-N -1 0 321.355 -0.340 20 0 DBADRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001600785566 1017730582 /nfs/dbraw/zinc/73/05/82/1017730582.db2.gz UDRWXEDZFUNGQY-QMMMGPOBSA-N -1 0 323.309 -0.489 20 0 DBADRM Cc1nn(CCC(=O)[O-])c(C)c1CN(C)CCS(N)(=O)=O ZINC001600785121 1017730603 /nfs/dbraw/zinc/73/06/03/1017730603.db2.gz ZEVWYJGEIUCEMM-UHFFFAOYSA-N -1 0 318.399 -0.305 20 0 DBADRM Cc1nn(CC(=O)O[C@@H](C)C(=O)C(C)(C)C(=O)[O-])c(=O)n1C ZINC001600781560 1017730674 /nfs/dbraw/zinc/73/06/74/1017730674.db2.gz CFEBOHOCHMBZON-ZETCQYMHSA-N -1 0 313.310 -0.498 20 0 DBADRM Cc1nn(CC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c(=O)n1C ZINC001600779974 1017730690 /nfs/dbraw/zinc/73/06/90/1017730690.db2.gz ADNAGEVYKDHCTD-LBPRGKRZSA-N -1 0 318.333 -0.125 20 0 DBADRM Cc1nn(CC(=O)NCc2cc(C(=O)[O-])c(C)n2C)c(=O)o1 ZINC001600780886 1017731049 /nfs/dbraw/zinc/73/10/49/1017731049.db2.gz QIGRLDVMRYINIB-UHFFFAOYSA-N -1 0 308.294 -0.194 20 0 DBADRM Cc1nn(CCS(=O)(=O)N[C@H](C)/C=C/C(=O)[O-])c(=O)o1 ZINC001600788241 1017731118 /nfs/dbraw/zinc/73/11/18/1017731118.db2.gz VCPDHSGEGOUTET-KGGZQZJCSA-N -1 0 305.312 -0.907 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)n1C ZINC001600796145 1017732269 /nfs/dbraw/zinc/73/22/69/1017732269.db2.gz NTNMZNWQSHWVOC-JTQLQIEISA-N -1 0 323.353 -0.643 20 0 DBADRM Cc1nnc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)o1 ZINC001600792576 1017732315 /nfs/dbraw/zinc/73/23/15/1017732315.db2.gz QEZMYDVMZZTMLO-NXEZZACHSA-N -1 0 322.321 -0.688 20 0 DBADRM Cc1nnc(CN2C(=O)[C@H]3CC[C@H](C(=O)[O-])CN3C2=O)n1C ZINC001600794111 1017732442 /nfs/dbraw/zinc/73/24/42/1017732442.db2.gz LETXRGDSWOKVOV-DTWKUNHWSA-N -1 0 307.310 -0.249 20 0 DBADRM Cc1nnc(Cn2nnc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)c2C)o1 ZINC001600796861 1017733012 /nfs/dbraw/zinc/73/30/12/1017733012.db2.gz ADUXXUUJEVQXHX-DTORHVGOSA-N -1 0 320.309 -0.081 20 0 DBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)NCCCC(=O)[O-])c1C ZINC001600798720 1017733032 /nfs/dbraw/zinc/73/30/32/1017733032.db2.gz WVKOYSNEWVEOPM-UHFFFAOYSA-N -1 0 310.310 -0.604 20 0 DBADRM Cc1nnccc1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600799582 1017733176 /nfs/dbraw/zinc/73/31/76/1017733176.db2.gz AGCKICHKPYSVRT-NWDGAFQWSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1nnsc1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600802797 1017734137 /nfs/dbraw/zinc/73/41/37/1017734137.db2.gz PAQLMJDSVFBBNV-SFYZADRCSA-N -1 0 310.335 -0.492 20 0 DBADRM Cc1noc(C)c1CCNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001600807966 1017734145 /nfs/dbraw/zinc/73/41/45/1017734145.db2.gz BKWMHJIZMVRLDA-MGCOHNPYSA-N -1 0 309.322 -0.070 20 0 DBADRM Cc1noc(CCCC(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600811830 1017734226 /nfs/dbraw/zinc/73/42/26/1017734226.db2.gz JKJRGPAKPMJIDA-UWVGGRQHSA-N -1 0 324.337 -0.346 20 0 DBADRM Cc1noc(C)c1NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001600810305 1017734243 /nfs/dbraw/zinc/73/42/43/1017734243.db2.gz JGJPFFKWRYUSQQ-IUCAKERBSA-N -1 0 311.294 -0.476 20 0 DBADRM Cc1nnc2ccc(C(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)cn12 ZINC001600801265 1017734307 /nfs/dbraw/zinc/73/43/07/1017734307.db2.gz NIQMHVHFHDLPOG-MNOVXSKESA-N -1 0 304.306 -0.055 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001600800950 1017734317 /nfs/dbraw/zinc/73/43/17/1017734317.db2.gz VIIXZUJTPZMNQZ-VXGBXAGGSA-N -1 0 317.305 -0.369 20 0 DBADRM Cc1noc(CCNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1 ZINC001600813188 1017734467 /nfs/dbraw/zinc/73/44/67/1017734467.db2.gz QBSLPDMSGATKJR-SECBINFHSA-N -1 0 310.310 -0.640 20 0 DBADRM C[C@@H](CN(C)CCF)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001498325858 1017734921 /nfs/dbraw/zinc/73/49/21/1017734921.db2.gz RXISEJOEHJEDTM-VIFPVBQESA-N -1 0 303.338 -0.125 20 0 DBADRM Cc1nonc1CC(=O)NCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600817715 1017735710 /nfs/dbraw/zinc/73/57/10/1017735710.db2.gz NWPFGWRICKMSRT-DTWKUNHWSA-N -1 0 310.310 -0.784 20 0 DBADRM Cc1noc(CCCNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)n1 ZINC001600813578 1017736076 /nfs/dbraw/zinc/73/60/76/1017736076.db2.gz WSDVRRBUINNCFO-ZJUUUORDSA-N -1 0 312.326 -0.212 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001600824926 1017736749 /nfs/dbraw/zinc/73/67/49/1017736749.db2.gz BPSHKKBKQHCPAE-DTORHVGOSA-N -1 0 306.274 -0.027 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(C)(CO)CO ZINC001600832572 1017736902 /nfs/dbraw/zinc/73/69/02/1017736902.db2.gz VBRUNTUGQLNZJD-UHFFFAOYSA-N -1 0 321.351 -0.102 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@]1(C)CCNC1=O ZINC001600836501 1017736937 /nfs/dbraw/zinc/73/69/37/1017736937.db2.gz NQJLVCGDVLYJLT-NSHDSACASA-N -1 0 302.308 -0.157 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N[C@@H](CCF)C(=O)[O-] ZINC001600835700 1017737554 /nfs/dbraw/zinc/73/75/54/1017737554.db2.gz LOGILAJUDVXAAF-LURJTMIESA-N -1 0 308.287 -0.222 20 0 DBADRM C[C@H](CN(C)Cc1ncccn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001498330690 1017737656 /nfs/dbraw/zinc/73/76/56/1017737656.db2.gz OQLQWWVKWADYMC-MRVPVSSYSA-N -1 0 319.325 -0.677 20 0 DBADRM Cc1sc(=O)n(CC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1C ZINC001600866670 1017738354 /nfs/dbraw/zinc/73/83/54/1017738354.db2.gz RDNRVIVFAYXXKL-VHSXEESVSA-N -1 0 314.363 -0.179 20 0 DBADRM Cc1sc(NC(=O)C(=O)NC[C@H](O)CO)c(C(=O)[O-])c1C ZINC001600884001 1017738448 /nfs/dbraw/zinc/73/84/48/1017738448.db2.gz XTPQSPAULPOWJV-ZETCQYMHSA-N -1 0 316.335 -0.529 20 0 DBADRM Cc1ocnc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600861906 1017738621 /nfs/dbraw/zinc/73/86/21/1017738621.db2.gz SQAUBEPYIVSNIT-NXEZZACHSA-N -1 0 307.306 -0.108 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)NC[C@]3(C(=O)[O-])CCOC3)ccnc1-2 ZINC001600892585 1017739295 /nfs/dbraw/zinc/73/92/95/1017739295.db2.gz ZVHYBESJEJAMMS-CQSZACIVSA-N -1 0 319.321 -0.045 20 0 DBADRM Cc1oc(S(=O)(=O)NC[C@]2(O)CCOC2)cc1C(=O)[O-] ZINC001600857965 1017739469 /nfs/dbraw/zinc/73/94/69/1017739469.db2.gz PBDASJHXFZQEGX-LLVKDONJSA-N -1 0 305.308 -0.284 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC3(C(=O)[O-])CC3)cnc21 ZINC001600893251 1017739688 /nfs/dbraw/zinc/73/96/88/1017739688.db2.gz FHFKHXNIDSBFJG-UHFFFAOYSA-N -1 0 304.262 -0.619 20 0 DBADRM Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@H](O)C(=O)[O-] ZINC001600890492 1017740035 /nfs/dbraw/zinc/74/00/35/1017740035.db2.gz JJJAYPJEISMXJC-VIFPVBQESA-N -1 0 320.305 -0.273 20 0 DBADRM Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])ccc21 ZINC001600897811 1017740430 /nfs/dbraw/zinc/74/04/30/1017740430.db2.gz LQSAJRLLGFKWLR-ZETCQYMHSA-N -1 0 318.282 -0.168 20 0 DBADRM Cn1c2ccccc2n(CC(=O)NC[C@@H](O)CC(=O)[O-])c1=O ZINC001600895188 1017740943 /nfs/dbraw/zinc/74/09/43/1017740943.db2.gz XILFQNOICRKIQP-VIFPVBQESA-N -1 0 307.306 -0.708 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)cnc21 ZINC001600894087 1017741267 /nfs/dbraw/zinc/74/12/67/1017741267.db2.gz RIRSBAJCBJXBNC-WRXNHJIOSA-N -1 0 318.289 -0.373 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@H](CC(=O)[O-])C2CCCC2)c1=O ZINC001600896938 1017741545 /nfs/dbraw/zinc/74/15/45/1017741545.db2.gz XWONMPYOFVUZGH-LLVKDONJSA-N -1 0 323.349 -0.303 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCC(C(=O)NCCO)CC1 ZINC001600903079 1017741778 /nfs/dbraw/zinc/74/17/78/1017741778.db2.gz RAKYREQKEZNALH-UHFFFAOYSA-N -1 0 323.349 -0.316 20 0 DBADRM Cn1c(=O)cc(COC(=O)c2ccc(C(=O)[O-])nc2)n(C)c1=O ZINC001600918705 1017742422 /nfs/dbraw/zinc/74/24/22/1017742422.db2.gz JWCJNLLQBZPWFT-UHFFFAOYSA-N -1 0 319.273 -0.466 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC001600905840 1017742459 /nfs/dbraw/zinc/74/24/59/1017742459.db2.gz UBWVLZTUUATORR-MRVPVSSYSA-N -1 0 315.351 -0.384 20 0 DBADRM Cn1c(C[C@H](O)C2CC2)nnc1N1CCO[C@H](CC(=O)[O-])C1 ZINC001600913018 1017742591 /nfs/dbraw/zinc/74/25/91/1017742591.db2.gz WNHRACCBEBEGMG-MNOVXSKESA-N -1 0 310.354 -0.192 20 0 DBADRM Cn1c(CO)nnc1S[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001600918336 1017742806 /nfs/dbraw/zinc/74/28/06/1017742806.db2.gz FJCRISGASJKZFU-ZETCQYMHSA-N -1 0 300.340 -0.525 20 0 DBADRM Cn1c([C@@H]2[C@@H]3CCCO[C@@H]32)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001600908314 1017742825 /nfs/dbraw/zinc/74/28/25/1017742825.db2.gz PDCTTZJFKAJRGP-ZDCRXTMVSA-N -1 0 308.338 -0.003 20 0 DBADRM Cn1c(CN2C[C@H](O)C[C@@H]2C(=O)[O-])nc2ccccc2c1=O ZINC001600914581 1017743279 /nfs/dbraw/zinc/74/32/79/1017743279.db2.gz JWFKQKHNVKHENR-BXKDBHETSA-N -1 0 303.318 -0.047 20 0 DBADRM Cn1c(CN2CCC[C@H](O)C2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001600915269 1017743513 /nfs/dbraw/zinc/74/35/13/1017743513.db2.gz XONGGEUSNOEKAU-QWRGUYRKSA-N -1 0 309.370 -0.317 20 0 DBADRM Cn1c(N2CCO[C@H](CC(=O)[O-])C2)nnc1[C@]1(C)CNC(=O)C1 ZINC001600919505 1017744861 /nfs/dbraw/zinc/74/48/61/1017744861.db2.gz ANBQWNMHVRDVQI-OTYXRUKQSA-N -1 0 323.353 -0.727 20 0 DBADRM Cn1cc(-c2ccc(NC(=O)NC[C@H](O)CC(=O)[O-])nn2)cn1 ZINC001600922809 1017744926 /nfs/dbraw/zinc/74/49/26/1017744926.db2.gz MSIKFNFRNQJESW-SECBINFHSA-N -1 0 320.309 -0.166 20 0 DBADRM Cn1cc(C(=O)N2CCCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cn1 ZINC001600928166 1017745130 /nfs/dbraw/zinc/74/51/30/1017745130.db2.gz FLVPUKQFTXXLLB-NEPJUHHUSA-N -1 0 320.349 -0.185 20 0 DBADRM Cn1c(N2CCO[C@@H](CC(=O)[O-])C2)nnc1[C@]1(C)CNC(=O)C1 ZINC001600919506 1017745332 /nfs/dbraw/zinc/74/53/32/1017745332.db2.gz ANBQWNMHVRDVQI-XPTSAGLGSA-N -1 0 323.353 -0.727 20 0 DBADRM Cn1cc(C(=O)CCC(=O)N[C@H](Cn2ccnc2)C(=O)[O-])cn1 ZINC001600927906 1017745527 /nfs/dbraw/zinc/74/55/27/1017745527.db2.gz KUMFYNYPGDMUKL-LLVKDONJSA-N -1 0 319.321 -0.151 20 0 DBADRM Cn1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(Cl)n1 ZINC001600928483 1017746584 /nfs/dbraw/zinc/74/65/84/1017746584.db2.gz IIOCZURAECUFFZ-ZETCQYMHSA-N -1 0 321.742 -0.603 20 0 DBADRM Cn1cc(C(=O)Nc2cc(C(=O)[O-])cnc2O)c(=O)n(C)c1=O ZINC001600930310 1017746674 /nfs/dbraw/zinc/74/66/74/1017746674.db2.gz SOFIJJIAHXNYPB-UHFFFAOYSA-N -1 0 320.261 -0.865 20 0 DBADRM Cn1cc(C(=O)NCC(=O)NCC(=O)[O-])c(-c2ccncc2)n1 ZINC001600931132 1017746692 /nfs/dbraw/zinc/74/66/92/1017746692.db2.gz JJOJXSFRXRYDJY-UHFFFAOYSA-N -1 0 317.305 -0.587 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2CCN(c3ccnc(C(=O)[O-])n3)C2)nn1 ZINC001600930063 1017746790 /nfs/dbraw/zinc/74/67/90/1017746790.db2.gz ISRYAZLDHLMLRR-MRVPVSSYSA-N -1 0 317.309 -0.688 20 0 DBADRM Cn1cc(C(=O)N[C@]2(CC(=O)[O-])CCCOC2)c(=O)[nH]c1=O ZINC001600930762 1017746834 /nfs/dbraw/zinc/74/68/34/1017746834.db2.gz AUDLAMYDEOIQHJ-ZDUSSCGKSA-N -1 0 311.294 -0.760 20 0 DBADRM Cn1cc(C(=O)N2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]c1=O ZINC001600928939 1017747221 /nfs/dbraw/zinc/74/72/21/1017747221.db2.gz KNWKCNJOYCZDBX-IUCAKERBSA-N -1 0 322.321 -0.965 20 0 DBADRM Cn1cc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c(=O)[nH]c1=O ZINC001600928760 1017747381 /nfs/dbraw/zinc/74/73/81/1017747381.db2.gz OFVJJQPXOWPDSP-SECBINFHSA-N -1 0 307.306 -0.187 20 0 DBADRM Cn1cc(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)cn1 ZINC001600930443 1017747406 /nfs/dbraw/zinc/74/74/06/1017747406.db2.gz BUVSBXGNHBJPQK-UHFFFAOYSA-N -1 0 304.310 -0.438 20 0 DBADRM Cn1cc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)ccc1=O ZINC001600929265 1017747564 /nfs/dbraw/zinc/74/75/64/1017747564.db2.gz KWOYHRDOFCYNHY-UHFFFAOYSA-N -1 0 303.278 -0.628 20 0 DBADRM Cn1cc(C(=O)NC(C)(C)c2nocc2C(=O)[O-])c(=O)[nH]c1=O ZINC001600929461 1017747623 /nfs/dbraw/zinc/74/76/23/1017747623.db2.gz YPPWRTFSKVKDID-UHFFFAOYSA-N -1 0 322.277 -0.163 20 0 DBADRM Cn1cc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c(=O)n(C)c1=O ZINC001600931223 1017748765 /nfs/dbraw/zinc/74/87/65/1017748765.db2.gz MQNGRIZJKTZHKR-LURJTMIESA-N -1 0 323.227 -0.781 20 0 DBADRM Cn1cc(C(=O)NCC(=O)NCC(=O)[O-])c2ccccc2c1=O ZINC001600931481 1017749094 /nfs/dbraw/zinc/74/90/94/1017749094.db2.gz UZHJYKABNHBLOC-UHFFFAOYSA-N -1 0 317.301 -0.531 20 0 DBADRM Cn1cc([C@@H](NCC(=O)NCCC(=O)[O-])C2(CO)CCC2)cn1 ZINC001600941783 1017749631 /nfs/dbraw/zinc/74/96/31/1017749631.db2.gz YKBLDGFBJOBEPS-CQSZACIVSA-N -1 0 324.381 -0.196 20 0 DBADRM Cn1cc([C@@H](O)CNS(=O)(=O)c2ccc(C(=O)[O-])o2)cn1 ZINC001600942600 1017750146 /nfs/dbraw/zinc/75/01/46/1017750146.db2.gz KKUNYVVGPPMAHD-QMMMGPOBSA-N -1 0 315.307 -0.277 20 0 DBADRM Cn1cc(/C=C/C(=O)OCC2(C(=O)[O-])CCC2)c(=O)n(C)c1=O ZINC001600944865 1017750221 /nfs/dbraw/zinc/75/02/21/1017750221.db2.gz GIADQESDTXVPDM-SNAWJCMRSA-N -1 0 322.317 -0.105 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)NC3(C(=O)[O-])CC(CO)C3)C2)cn1 ZINC001600943498 1017750480 /nfs/dbraw/zinc/75/04/80/1017750480.db2.gz ALGLPJGXMYPCPN-PGMTZQPISA-N -1 0 322.321 -0.745 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)NC2(C(=O)[O-])CCSCC2)cn1 ZINC001600946910 1017750688 /nfs/dbraw/zinc/75/06/88/1017750688.db2.gz IWVFPQONINQHGX-SNVBAGLBSA-N -1 0 313.379 -0.210 20 0 DBADRM Cn1cc(CCCNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)cn1 ZINC001600949916 1017752386 /nfs/dbraw/zinc/75/23/86/1017752386.db2.gz IINPVRHYQNSKIR-GFCCVEGCSA-N -1 0 322.365 -0.208 20 0 DBADRM Cn1cc(C[C@H](CO)CNC(=O)C23CC(C(=O)[O-])(C2)C3)cn1 ZINC001600947698 1017752445 /nfs/dbraw/zinc/75/24/45/1017752445.db2.gz NKFLCEPRECMNDL-QGLTVNCISA-N -1 0 307.350 -0.058 20 0 DBADRM Cn1cc(C[C@@H](CO)CNC(=O)c2cc(C(=O)[O-])on2)cn1 ZINC001600947376 1017752881 /nfs/dbraw/zinc/75/28/81/1017752881.db2.gz LOZIYRFCJCLTEQ-SECBINFHSA-N -1 0 308.294 -0.313 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)C2)cn1 ZINC001600947249 1017752991 /nfs/dbraw/zinc/75/29/91/1017752991.db2.gz VSTVARRXSBLUAE-XRNSZHNASA-N -1 0 322.321 -0.793 20 0 DBADRM Cn1cc(CCNC(=O)COCc2ocnc2C(=O)[O-])cn1 ZINC001600951006 1017753231 /nfs/dbraw/zinc/75/32/31/1017753231.db2.gz ZBYFDYYHHWSHSM-UHFFFAOYSA-N -1 0 308.294 -0.018 20 0 DBADRM Cn1cc(CN2CCN3[C@@H](CNS3(=O)=O)C2)cc1C(=O)[O-] ZINC001600951552 1017753421 /nfs/dbraw/zinc/75/34/21/1017753421.db2.gz BYZXYTKPLBIIOD-JTQLQIEISA-N -1 0 314.367 -0.943 20 0 DBADRM Cn1cc(CNC(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)cn1 ZINC001600953342 1017753879 /nfs/dbraw/zinc/75/38/79/1017753879.db2.gz BYMCCHHJXIBOGD-UHFFFAOYSA-N -1 0 305.294 -0.288 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])nn1 ZINC001600959281 1017754994 /nfs/dbraw/zinc/75/49/94/1017754994.db2.gz QPXQLZVOAKULLJ-XKSSXDPKSA-N -1 0 307.310 -0.535 20 0 DBADRM Cn1cc(CNC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)nn1 ZINC001600953331 1017755048 /nfs/dbraw/zinc/75/50/48/1017755048.db2.gz BMPAUEKJEXFWPT-SECBINFHSA-N -1 0 320.313 -0.739 20 0 DBADRM Cn1cc(CNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001600953362 1017755355 /nfs/dbraw/zinc/75/53/55/1017755355.db2.gz CIRCWIUJKVPDHO-CYBMUJFWSA-N -1 0 310.310 -0.508 20 0 DBADRM Cn1cc(N2CC[C@H](N3C(=O)N[C@H](CCC(=O)[O-])C3=O)C2)cn1 ZINC001600962142 1017756110 /nfs/dbraw/zinc/75/61/10/1017756110.db2.gz QGJBLOJBOXOORR-GXSJLCMTSA-N -1 0 321.337 -0.216 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)nc1Cl ZINC001600967270 1017756202 /nfs/dbraw/zinc/75/62/02/1017756202.db2.gz IBRTYOUUFCQQMC-RNFRBKRXSA-N -1 0 323.758 -0.470 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCc2cccnn2)cc1C(=O)[O-] ZINC001600960411 1017756254 /nfs/dbraw/zinc/75/62/54/1017756254.db2.gz KTLBUXNAJYQJRH-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@@H]2COCCO2)cc1C(=O)[O-] ZINC001600960608 1017756493 /nfs/dbraw/zinc/75/64/93/1017756493.db2.gz NPZGQGBLUZCREB-SECBINFHSA-N -1 0 311.294 -0.807 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)Nc3c[nH]nc3C(=O)[O-])CC2=O)cn1 ZINC001600962364 1017756921 /nfs/dbraw/zinc/75/69/21/1017756921.db2.gz WIXMIIIMDJXKTR-SSDOTTSWSA-N -1 0 318.293 -0.167 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])nc1Cl ZINC001600966836 1017757113 /nfs/dbraw/zinc/75/71/13/1017757113.db2.gz HXXCQDQBGDJIJN-SVRRBLITSA-N -1 0 323.758 -0.328 20 0 DBADRM Cn1cc(NC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c(C(N)=O)n1 ZINC001600966275 1017758658 /nfs/dbraw/zinc/75/86/58/1017758658.db2.gz YGBQZZSWAMRJOU-HHSDFAELSA-N -1 0 307.310 -0.106 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])cc1C(N)=O ZINC001600968047 1017759267 /nfs/dbraw/zinc/75/92/67/1017759267.db2.gz YCYKJHLFELNACY-RCOVLWMOSA-N -1 0 319.314 -0.690 20 0 DBADRM Cn1ccc(C(=O)NC[C@@H](O)CNc2ncc(C(=O)[O-])cn2)c1 ZINC001600972539 1017759373 /nfs/dbraw/zinc/75/93/73/1017759373.db2.gz HPWAVOGHFZJXTB-LLVKDONJSA-N -1 0 319.321 -0.284 20 0 DBADRM Cn1cc2c(n1)CCC[C@@H]2C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001600971158 1017759418 /nfs/dbraw/zinc/75/94/18/1017759418.db2.gz WOSANMCTFYEFDM-JTQLQIEISA-N -1 0 322.365 -0.063 20 0 DBADRM Cn1ccc(C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])cc1=O ZINC001600971074 1017759586 /nfs/dbraw/zinc/75/95/86/1017759586.db2.gz LNOZATFKPIJYPU-AWEZNQCLSA-N -1 0 304.306 -0.145 20 0 DBADRM Cn1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c1 ZINC001600971021 1017760200 /nfs/dbraw/zinc/76/02/00/1017760200.db2.gz KFLFLEQYUJDNFZ-JTQLQIEISA-N -1 0 300.336 -0.261 20 0 DBADRM Cn1cccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600978928 1017762758 /nfs/dbraw/zinc/76/27/58/1017762758.db2.gz XXZKURNSVYZSER-OQEOFVATSA-N -1 0 317.345 -0.068 20 0 DBADRM Cn1ccc([C@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C(=O)[O-])n1 ZINC001600973599 1017762775 /nfs/dbraw/zinc/76/27/75/1017762775.db2.gz TXULSPINUNRAIX-VIFPVBQESA-N -1 0 316.277 -0.047 20 0 DBADRM Cn1ccc(CNC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC001600975947 1017763169 /nfs/dbraw/zinc/76/31/69/1017763169.db2.gz KFACXJZBKFIPBQ-LLVKDONJSA-N -1 0 309.322 -0.657 20 0 DBADRM CCC(C)(C)C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001498382306 1017763451 /nfs/dbraw/zinc/76/34/51/1017763451.db2.gz YSNVAYAEFBEGNO-UHFFFAOYSA-N -1 0 311.342 -0.548 20 0 DBADRM Cn1ccc(CNC(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001600975873 1017764519 /nfs/dbraw/zinc/76/45/19/1017764519.db2.gz JMTHJHWKACVFRP-GHMZBOCLSA-N -1 0 309.322 -0.753 20 0 DBADRM Cn1cccc1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600978522 1017764618 /nfs/dbraw/zinc/76/46/18/1017764618.db2.gz FTDNTZOCJOVHFZ-WDEREUQCSA-N -1 0 305.334 -0.066 20 0 DBADRM Cn1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(C(=O)[O-])n3)C2)n1 ZINC001600972678 1017764659 /nfs/dbraw/zinc/76/46/59/1017764659.db2.gz QSZAXTBBZVNAEF-DTORHVGOSA-N -1 0 316.321 -0.297 20 0 DBADRM Cn1ccc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cc1=O ZINC001600976979 1017764821 /nfs/dbraw/zinc/76/48/21/1017764821.db2.gz XVLCAHDVCRLDJD-INIZCTEOSA-N -1 0 321.377 -0.253 20 0 DBADRM Cn1ccc(CNC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)n1 ZINC001600976781 1017765077 /nfs/dbraw/zinc/76/50/77/1017765077.db2.gz SLHHAARGABBNSA-UHFFFAOYSA-N -1 0 308.338 -0.204 20 0 DBADRM Cn1ccc([C@@H](NS(=O)(=O)CC2CCOCC2)C(=O)[O-])n1 ZINC001600974418 1017765505 /nfs/dbraw/zinc/76/55/05/1017765505.db2.gz DYMYYSGAQYDGNH-LLVKDONJSA-N -1 0 317.367 -0.108 20 0 DBADRM Cn1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cc1=O ZINC001600972698 1017765873 /nfs/dbraw/zinc/76/58/73/1017765873.db2.gz RNHHHLWRUAPCIR-MNOVXSKESA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])c1=O ZINC001600979595 1017767006 /nfs/dbraw/zinc/76/70/06/1017767006.db2.gz PMPPPBZQKUNXBE-DTWKUNHWSA-N -1 0 307.306 -0.307 20 0 DBADRM Cn1ccnc(NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c1=O ZINC001600981440 1017768264 /nfs/dbraw/zinc/76/82/64/1017768264.db2.gz VMIMKPXMYCILHL-SECBINFHSA-N -1 0 310.310 -0.530 20 0 DBADRM Cn1ccnc1CN1CCN(C(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001600985399 1017768473 /nfs/dbraw/zinc/76/84/73/1017768473.db2.gz KZOZXGKHNXZCLI-JTQLQIEISA-N -1 0 313.333 -0.330 20 0 DBADRM Cn1ccnc1CN1CCN(Cc2cn(CC(=O)[O-])nn2)CC1 ZINC001600985711 1017768513 /nfs/dbraw/zinc/76/85/13/1017768513.db2.gz ZVECRTVJSVPYKD-UHFFFAOYSA-N -1 0 319.369 -0.586 20 0 DBADRM Cn1ccnc1CNCCN(CCO)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001600986397 1017769245 /nfs/dbraw/zinc/76/92/45/1017769245.db2.gz BMHQDIDOPBXNKW-QWRGUYRKSA-N -1 0 310.354 -0.949 20 0 DBADRM Cn1cccc(NC(=O)C(=O)NCc2ccc(C(=O)[O-])o2)c1=O ZINC001600979507 1017769605 /nfs/dbraw/zinc/76/96/05/1017769605.db2.gz LQHILXBEASLQQV-UHFFFAOYSA-N -1 0 319.273 -0.069 20 0 DBADRM Cn1cnc(C(=O)N2CC[C@H](Nc3ccnc(C(=O)[O-])n3)C2)n1 ZINC001600987605 1017770438 /nfs/dbraw/zinc/77/04/38/1017770438.db2.gz MYKZESIKJNYGKK-QMMMGPOBSA-N -1 0 317.309 -0.948 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)n1 ZINC001600988895 1017770566 /nfs/dbraw/zinc/77/05/66/1017770566.db2.gz MLTNEJKLIXZFAW-VIFPVBQESA-N -1 0 309.326 -0.952 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c1Cl ZINC001600991177 1017770706 /nfs/dbraw/zinc/77/07/06/1017770706.db2.gz VHYGHIBCOKZGHU-BQBZGAKWSA-N -1 0 323.758 -0.328 20 0 DBADRM Cn1ccc([C@H](NC(=O)CCC(=O)N2CCOCC2)C(=O)[O-])n1 ZINC001600988645 1017771054 /nfs/dbraw/zinc/77/10/54/1017771054.db2.gz HKGDKJNKCJVDRS-ZDUSSCGKSA-N -1 0 324.337 -0.699 20 0 DBADRM Cn1cnc(C(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CCC2)c1 ZINC001600987392 1017771912 /nfs/dbraw/zinc/77/19/12/1017771912.db2.gz ODXMFAHMEUEGHZ-VHSXEESVSA-N -1 0 320.349 -0.091 20 0 DBADRM Cn1cnc(CCCNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n1 ZINC001600990525 1017772483 /nfs/dbraw/zinc/77/24/83/1017772483.db2.gz WQDGHGKQOCLFMG-NXEZZACHSA-N -1 0 311.342 -0.775 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c1Cl ZINC001600991181 1017772878 /nfs/dbraw/zinc/77/28/78/1017772878.db2.gz VHYGHIBCOKZGHU-RQJHMYQMSA-N -1 0 323.758 -0.328 20 0 DBADRM Cn1cncc1C(=O)N1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001600992917 1017775647 /nfs/dbraw/zinc/77/56/47/1017775647.db2.gz YFPJQZOOGHTVIP-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM Cn1cnn(CCC(=O)NCc2ccc(C(=O)[O-])cn2)c1=O ZINC001600994845 1017775789 /nfs/dbraw/zinc/77/57/89/1017775789.db2.gz YRUOBJYZCWMVPM-UHFFFAOYSA-N -1 0 305.294 -0.619 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H](Cn1ccnc1)C(=O)[O-] ZINC001600994321 1017775857 /nfs/dbraw/zinc/77/58/57/1017775857.db2.gz OXZOTIIMSDTAAF-GMTAPVOTSA-N -1 0 303.322 -0.010 20 0 DBADRM Cn1cncc1C(=O)NC[C@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001600992841 1017776181 /nfs/dbraw/zinc/77/61/81/1017776181.db2.gz WWYSEOAQJYTAHF-VIFPVBQESA-N -1 0 320.309 -0.889 20 0 DBADRM Cn1cnc2cccc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])c21 ZINC001600993260 1017776545 /nfs/dbraw/zinc/77/65/45/1017776545.db2.gz KHUHVXIXDMASQB-LLVKDONJSA-N -1 0 316.317 -0.011 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H](Cn1ccnc1)C(=O)[O-] ZINC001600994322 1017776922 /nfs/dbraw/zinc/77/69/22/1017776922.db2.gz OXZOTIIMSDTAAF-MXWKQRLJSA-N -1 0 303.322 -0.010 20 0 DBADRM Cn1cnn(CC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1=O ZINC001600995679 1017778244 /nfs/dbraw/zinc/77/82/44/1017778244.db2.gz NHXNYICXNLBTDA-SNVBAGLBSA-N -1 0 310.354 -0.069 20 0 DBADRM Cn1cnnc1S(=O)(=O)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001600995579 1017778941 /nfs/dbraw/zinc/77/89/41/1017778941.db2.gz VSLHMFHNHRTJDI-UHFFFAOYSA-N -1 0 324.318 -0.074 20 0 DBADRM Cn1nc(Br)cc1C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001600998432 1017779769 /nfs/dbraw/zinc/77/97/69/1017779769.db2.gz YLLZEQFBMFBASP-LNCKLZMNSA-N -1 0 318.127 -0.110 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCC(C)(C)N1CCOCC1 ZINC001601001057 1017781443 /nfs/dbraw/zinc/78/14/43/1017781443.db2.gz HTRASNMRXKGDEC-UHFFFAOYSA-N -1 0 310.354 -0.041 20 0 DBADRM Cn1nc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1Cl ZINC001600999613 1017782071 /nfs/dbraw/zinc/78/20/71/1017782071.db2.gz RYGXDBLLKMKMRR-ZETCQYMHSA-N -1 0 321.742 -0.603 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@H](N2CCCC2=O)C1 ZINC001601000695 1017782158 /nfs/dbraw/zinc/78/21/58/1017782158.db2.gz AMAQGBUHFFWYCH-VIFPVBQESA-N -1 0 306.322 -0.045 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC(c2nc(N)n[nH]2)CC1 ZINC001601000974 1017782234 /nfs/dbraw/zinc/78/22/34/1017782234.db2.gz YUJARCAKVCJQSA-UHFFFAOYSA-N -1 0 319.325 -0.162 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)C(C)(C)NS(C)(=O)=O ZINC001601002252 1017782328 /nfs/dbraw/zinc/78/23/28/1017782328.db2.gz IGHQMYZVXRJLIU-UHFFFAOYSA-N -1 0 304.328 -0.615 20 0 DBADRM Cn1nc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])ccc1=O ZINC001601013904 1017783157 /nfs/dbraw/zinc/78/31/57/1017783157.db2.gz XQWPKAHSGJYTHU-SECBINFHSA-N -1 0 311.294 -0.884 20 0 DBADRM Cn1nc(C2CC2)cc1C(=O)NCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001601012518 1017783546 /nfs/dbraw/zinc/78/35/46/1017783546.db2.gz AUXNMFBJGZHQLZ-ZJUUUORDSA-N -1 0 320.349 -0.136 20 0 DBADRM Cn1[nH]c(=O)c2c1CN([C@@H]1CCN(CCC(=O)[O-])C1=O)CC2 ZINC001601015421 1017784052 /nfs/dbraw/zinc/78/40/52/1017784052.db2.gz DBBMCMAYBUVPGN-SNVBAGLBSA-N -1 0 308.338 -0.441 20 0 DBADRM Cn1ncc(C(=O)OCC(=O)NC2(C(=O)[O-])CCCCC2)n1 ZINC001601024877 1017784877 /nfs/dbraw/zinc/78/48/77/1017784877.db2.gz GQSNZJIYNFIXLG-UHFFFAOYSA-N -1 0 310.310 -0.124 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC001601022955 1017785319 /nfs/dbraw/zinc/78/53/19/1017785319.db2.gz JBRVOBHFFPLKQN-RKDXNWHRSA-N -1 0 324.337 -0.276 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1CC(S(C)(=O)=O)C1 ZINC001601022778 1017785898 /nfs/dbraw/zinc/78/58/98/1017785898.db2.gz GNERZLWBOJUKAE-UHFFFAOYSA-N -1 0 302.312 -0.621 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N(CCO)C1CCC1 ZINC001601022012 1017786395 /nfs/dbraw/zinc/78/63/95/1017786395.db2.gz QGPMPJHNQGCEEZ-UHFFFAOYSA-N -1 0 310.310 -0.570 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N(CCCO)C1CC1 ZINC001601021385 1017786412 /nfs/dbraw/zinc/78/64/12/1017786412.db2.gz GBQWTORPXJBLIM-UHFFFAOYSA-N -1 0 310.310 -0.570 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCC[C@@H]1CCCOC1 ZINC001601023201 1017787605 /nfs/dbraw/zinc/78/76/05/1017787605.db2.gz OTANUJJYTFYLRU-VIFPVBQESA-N -1 0 324.337 -0.010 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])CC2 ZINC001601031318 1017788300 /nfs/dbraw/zinc/78/83/00/1017788300.db2.gz XQECJJMUASLYCT-JOYOIKCWSA-N -1 0 320.349 -0.673 20 0 DBADRM Cn1ncc2c1ncn(Cc1noc(CCC(=O)[O-])n1)c2=O ZINC001601029800 1017788372 /nfs/dbraw/zinc/78/83/72/1017788372.db2.gz PJUBDVGBHSGDKM-UHFFFAOYSA-N -1 0 304.266 -0.422 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N[C@H](Cn1ccnc1)C(=O)[O-])CC2 ZINC001601030541 1017789182 /nfs/dbraw/zinc/78/91/82/1017789182.db2.gz BYVGVVRUDZEORR-ZYHUDNBSSA-N -1 0 317.349 -0.009 20 0 DBADRM Cn1ncc(CNC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)n1 ZINC001601026354 1017789449 /nfs/dbraw/zinc/78/94/49/1017789449.db2.gz SKYHRUYEFCNINV-UHFFFAOYSA-N -1 0 305.298 -0.455 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])CC2 ZINC001601031316 1017789489 /nfs/dbraw/zinc/78/94/89/1017789489.db2.gz XQECJJMUASLYCT-BXKDBHETSA-N -1 0 320.349 -0.673 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)NC1(CC(=O)[O-])CC1)c2=O ZINC001601029783 1017790195 /nfs/dbraw/zinc/79/01/95/1017790195.db2.gz OVLOATYXFFWUOZ-UHFFFAOYSA-N -1 0 305.294 -0.747 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001601027397 1017790796 /nfs/dbraw/zinc/79/07/96/1017790796.db2.gz HMWOVCPBQMAKBF-HTQZYQBOSA-N -1 0 323.758 -0.328 20 0 DBADRM Cn1nccc1C(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601032093 1017790865 /nfs/dbraw/zinc/79/08/65/1017790865.db2.gz UHKAXAMUOFRPGS-MNOVXSKESA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1ncc2c1nc(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[nH]c2=O ZINC001601029756 1017791122 /nfs/dbraw/zinc/79/11/22/1017791122.db2.gz NRDKTPSIDUACAV-RQJHMYQMSA-N -1 0 307.266 -0.360 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])CC2 ZINC001601030466 1017791351 /nfs/dbraw/zinc/79/13/51/1017791351.db2.gz ARWXPWONBXFVEY-KOLCDFICSA-N -1 0 323.349 -0.143 20 0 DBADRM Cn1[nH]cnc1=NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001601039364 1017793826 /nfs/dbraw/zinc/79/38/26/1017793826.db2.gz FEKQRDVTIGSYSB-ZETCQYMHSA-N -1 0 313.314 -0.457 20 0 DBADRM Cn1nccc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001601038073 1017794324 /nfs/dbraw/zinc/79/43/24/1017794324.db2.gz OVNFTAXKDZPXFV-IQIPOGNMSA-N -1 0 320.349 -0.553 20 0 DBADRM Cn1ncnc1CN1CCC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601038554 1017794936 /nfs/dbraw/zinc/79/49/36/1017794936.db2.gz AIAVCOSUIVOIRS-NEPJUHHUSA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1nccc1[C@H]1COCCN1CCc1cn(CC(=O)[O-])nn1 ZINC001601037110 1017795501 /nfs/dbraw/zinc/79/55/01/1017795501.db2.gz COCMKGNLNIFVQU-CYBMUJFWSA-N -1 0 320.353 -0.288 20 0 DBADRM Cn1ncnc1CN1CCC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601038555 1017796275 /nfs/dbraw/zinc/79/62/75/1017796275.db2.gz AIAVCOSUIVOIRS-NWDGAFQWSA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC001601039033 1017796400 /nfs/dbraw/zinc/79/64/00/1017796400.db2.gz XEKFDWUFSCPZPG-ZJUUUORDSA-N -1 0 308.338 -0.264 20 0 DBADRM Cn1nnc(NC(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)n1 ZINC001601040647 1017796991 /nfs/dbraw/zinc/79/69/91/1017796991.db2.gz FXPDEUMIOXPAAA-UWZOBUBJSA-N -1 0 310.314 -0.256 20 0 DBADRM Cn1nnc(CNC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CCC2)n1 ZINC001601040994 1017797230 /nfs/dbraw/zinc/79/72/30/1017797230.db2.gz YKHBTIRQGILDSM-IUCAKERBSA-N -1 0 308.342 -0.941 20 0 DBADRM Cn1nnc2c1C[C@H](NC(=O)N1C[C@H]3[C@H](C(=O)[O-])[C@H]3C1)CC2 ZINC001601041592 1017797282 /nfs/dbraw/zinc/79/72/82/1017797282.db2.gz AMOVRQOJZCSRIO-XBWDGYHZSA-N -1 0 305.338 -0.356 20 0 DBADRM Cn1nnc(CNCC2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CCCC2)n1 ZINC001601040616 1017797391 /nfs/dbraw/zinc/79/73/91/1017797391.db2.gz LQHKUEQIMHAVHL-VHSXEESVSA-N -1 0 322.369 -0.551 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)NC[C@]1(C(=O)[O-])CCOC1)CC2 ZINC001601042379 1017798879 /nfs/dbraw/zinc/79/88/79/1017798879.db2.gz LPTNDGCOQIGJSC-YMTOWFKASA-N -1 0 308.338 -0.473 20 0 DBADRM Cn1nnc(CN2CCC(C)(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001601041006 1017800047 /nfs/dbraw/zinc/80/00/47/1017800047.db2.gz YZELFNNBXNYQHP-VHSXEESVSA-N -1 0 322.369 -0.599 20 0 DBADRM Cn1nnc(CNC2(C)CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001601040924 1017800128 /nfs/dbraw/zinc/80/01/28/1017800128.db2.gz VKTAVZIOQVFEIK-UWVGGRQHSA-N -1 0 322.369 -0.599 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N[C@H](Cn1ccnc1)C(=O)[O-])CC2 ZINC001601043491 1017800368 /nfs/dbraw/zinc/80/03/68/1017800368.db2.gz UHVODBMLHCQOEO-GXSJLCMTSA-N -1 0 318.337 -0.614 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])CC2 ZINC001601043729 1017800542 /nfs/dbraw/zinc/80/05/42/1017800542.db2.gz YWVGKIPTZYGEBH-GZMMTYOYSA-N -1 0 318.337 -0.545 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)NCCn1cc(C(=O)[O-])nn1)CC2 ZINC001601043031 1017800623 /nfs/dbraw/zinc/80/06/23/1017800623.db2.gz QGXLHQJRNNOUTM-QMMMGPOBSA-N -1 0 319.325 -0.974 20 0 DBADRM Cn1nnnc1-c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC001601044662 1017800636 /nfs/dbraw/zinc/80/06/36/1017800636.db2.gz JSVFUQASLTUIHE-UHFFFAOYSA-N -1 0 318.293 -0.594 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N[C@H](Cn1ccnc1)C(=O)[O-])CC2 ZINC001601043495 1017800686 /nfs/dbraw/zinc/80/06/86/1017800686.db2.gz UHVODBMLHCQOEO-MWLCHTKSSA-N -1 0 318.337 -0.614 20 0 DBADRM Cn1nncc1C(=O)CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001601042704 1017801063 /nfs/dbraw/zinc/80/10/63/1017801063.db2.gz SGTYXWBSAXYTDG-LBPRGKRZSA-N -1 0 309.282 -0.827 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)Nc1cnn(CC(=O)[O-])c1)CC2 ZINC001601042746 1017801315 /nfs/dbraw/zinc/80/13/15/1017801315.db2.gz OCPWCAJCKDRYOF-MRVPVSSYSA-N -1 0 304.310 -0.160 20 0 DBADRM Cn1nnnc1CN1CCC(C)(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601046619 1017802187 /nfs/dbraw/zinc/80/21/87/1017802187.db2.gz OPFCHNLJILPMSJ-VHSXEESVSA-N -1 0 322.369 -0.599 20 0 DBADRM NC(=O)C1(C(=O)N2CCCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)CC1 ZINC001601140115 1017808619 /nfs/dbraw/zinc/80/86/19/1017808619.db2.gz XBOIUCRGZSLVJD-VHSXEESVSA-N -1 0 323.349 -0.967 20 0 DBADRM NC(=O)[C@@](O)(CN1CCOC[C@@H]1CC(=O)[O-])c1ccccc1 ZINC001601138405 1017808656 /nfs/dbraw/zinc/80/86/56/1017808656.db2.gz CREZZBAYIKYRJF-SWLSCSKDSA-N -1 0 308.334 -0.465 20 0 DBADRM NC(=O)C(=O)N1CCC(CNc2ncc(C(=O)[O-])cn2)CC1 ZINC001601137780 1017808810 /nfs/dbraw/zinc/80/88/10/1017808810.db2.gz YCKSAINWTFVGEA-UHFFFAOYSA-N -1 0 307.310 -0.689 20 0 DBADRM NC(=O)C1(C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CCC2)CC1 ZINC001601139312 1017808963 /nfs/dbraw/zinc/80/89/63/1017808963.db2.gz LBSZTTGCGLTUSS-BDAKNGLRSA-N -1 0 323.349 -0.872 20 0 DBADRM NC(=O)[C@@H](NCc1cn(CC(=O)[O-])nn1)c1ccc(F)cc1 ZINC001601139934 1017809171 /nfs/dbraw/zinc/80/91/71/1017809171.db2.gz NQXRMFBFWOGLOF-LBPRGKRZSA-N -1 0 307.285 -0.182 20 0 DBADRM NC(=O)[C@@]1(NCC(=O)Nc2ccc(C(=O)[O-])cc2)CCOC1 ZINC001601138201 1017809184 /nfs/dbraw/zinc/80/91/84/1017809184.db2.gz DPDBCPPYDIJTEF-CQSZACIVSA-N -1 0 307.306 -0.443 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC001601138168 1017809303 /nfs/dbraw/zinc/80/93/03/1017809303.db2.gz BHTUCYAFARLFKP-UHFFFAOYSA-N -1 0 302.283 -0.180 20 0 DBADRM NC(=O)C1(NC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])CC1 ZINC001601139735 1017809337 /nfs/dbraw/zinc/80/93/37/1017809337.db2.gz ZCFFVAKHJFALHF-UHFFFAOYSA-N -1 0 309.253 -0.404 20 0 DBADRM NC(=O)[C@H](F)C1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC001601137803 1017809347 /nfs/dbraw/zinc/80/93/47/1017809347.db2.gz DAAJDOXKMRMQSH-LLVKDONJSA-N -1 0 312.301 -0.357 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC001601141185 1017809583 /nfs/dbraw/zinc/80/95/83/1017809583.db2.gz IHIADJDQXRTHLP-SNVBAGLBSA-N -1 0 321.289 -0.490 20 0 DBADRM NC(=O)C1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001601142652 1017809765 /nfs/dbraw/zinc/80/97/65/1017809765.db2.gz NPSUYWKKXPIOKC-ILCXDJLASA-N -1 0 311.338 -0.874 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001601141265 1017809818 /nfs/dbraw/zinc/80/98/18/1017809818.db2.gz JYVNUXCUIURIHD-SSDOTTSWSA-N -1 0 309.253 -0.116 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])C1 ZINC001601142882 1017809843 /nfs/dbraw/zinc/80/98/43/1017809843.db2.gz UFRABVHWKVXLMX-MXWKQRLJSA-N -1 0 308.338 -0.256 20 0 DBADRM NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001601142778 1017810212 /nfs/dbraw/zinc/81/02/12/1017810212.db2.gz QYCGDNOYITVSAV-IVZWLZJFSA-N -1 0 321.337 -0.349 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1 ZINC001601140913 1017810268 /nfs/dbraw/zinc/81/02/68/1017810268.db2.gz LMTMHZWPGXOXJA-UHFFFAOYSA-N -1 0 310.350 -0.140 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)Nc2ccc(C(=O)[O-])nc2)O1 ZINC001601143021 1017810307 /nfs/dbraw/zinc/81/03/07/1017810307.db2.gz WYBOJMFVIMDKJY-WPRPVWTQSA-N -1 0 308.294 -0.066 20 0 DBADRM NC(=O)[C@H]1CCC[C@@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC001601141771 1017810362 /nfs/dbraw/zinc/81/03/62/1017810362.db2.gz CTJFJBBHGONZMK-DTWKUNHWSA-N -1 0 321.337 -0.349 20 0 DBADRM NC(=O)C1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001601143289 1017810552 /nfs/dbraw/zinc/81/05/52/1017810552.db2.gz BZGLIRYUTMWPBL-UHFFFAOYSA-N -1 0 306.322 -0.084 20 0 DBADRM NC(=O)C1(O)CN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001601141627 1017810557 /nfs/dbraw/zinc/81/05/57/1017810557.db2.gz YEOVIJGBVNNOQB-UHFFFAOYSA-N -1 0 318.289 -0.070 20 0 DBADRM NC(=O)CC(=O)NC[C@H](Nc1ncc(C(=O)[O-])cn1)C1CC1 ZINC001601145371 1017810756 /nfs/dbraw/zinc/81/07/56/1017810756.db2.gz GHYASVIWPNOMDE-VIFPVBQESA-N -1 0 307.310 -0.643 20 0 DBADRM NC(=O)[C@H]1CSCCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001601146216 1017810930 /nfs/dbraw/zinc/81/09/30/1017810930.db2.gz OXGAOULSDLQBFF-SNVBAGLBSA-N -1 0 315.395 -0.788 20 0 DBADRM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001601146247 1017811069 /nfs/dbraw/zinc/81/10/69/1017811069.db2.gz PPNCUMXXFZDGGR-ZCFIWIBFSA-N -1 0 320.348 -0.431 20 0 DBADRM NC(=O)[C@H]1CSCCN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001601146256 1017811169 /nfs/dbraw/zinc/81/11/69/1017811169.db2.gz PTXQLGXITRUNOS-HRDYMLBCSA-N -1 0 322.408 -0.528 20 0 DBADRM NC(=O)[C@@H]1CSCCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001601146214 1017811420 /nfs/dbraw/zinc/81/14/20/1017811420.db2.gz OXGAOULSDLQBFF-JTQLQIEISA-N -1 0 315.395 -0.788 20 0 DBADRM NC(=O)CC1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001601149145 1017812016 /nfs/dbraw/zinc/81/20/16/1017812016.db2.gz UUPHPCWNEHQJJY-UHFFFAOYSA-N -1 0 305.290 -0.343 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2ccsc2C(=O)[O-])C[C@@H]1C(N)=O ZINC001601147062 1017812041 /nfs/dbraw/zinc/81/20/41/1017812041.db2.gz XDNKTFZRXZGLMA-BQBZGAKWSA-N -1 0 311.319 -0.895 20 0 DBADRM NC(=O)C[C@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])n2)CCO1 ZINC001601148033 1017812406 /nfs/dbraw/zinc/81/24/06/1017812406.db2.gz JFDPJURIOSPDAC-VIFPVBQESA-N -1 0 322.321 -0.706 20 0 DBADRM NC(=O)C[C@@H]1CCCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001601148127 1017812510 /nfs/dbraw/zinc/81/25/10/1017812510.db2.gz LNNZSBZVQGBRPV-LPEHRKFASA-N -1 0 304.368 -0.233 20 0 DBADRM NC(=O)COc1ccc(NC(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001601152295 1017812987 /nfs/dbraw/zinc/81/29/87/1017812987.db2.gz SCCXWLOBQWONPZ-UHFFFAOYSA-N -1 0 309.278 -0.786 20 0 DBADRM NC(=O)CN1CCN(C(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC001601150812 1017813014 /nfs/dbraw/zinc/81/30/14/1017813014.db2.gz ILAVIVGYIHJMFO-UHFFFAOYSA-N -1 0 305.334 -0.443 20 0 DBADRM NC(=O)CSc1ccccc1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001601152368 1017813171 /nfs/dbraw/zinc/81/31/71/1017813171.db2.gz PUGIYNKBVVUIGC-AWEZNQCLSA-N -1 0 324.358 -0.074 20 0 DBADRM NC(=O)CN1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1=O ZINC001601151095 1017813407 /nfs/dbraw/zinc/81/34/07/1017813407.db2.gz OTOMLZBCNULTDX-UHFFFAOYSA-N -1 0 323.349 -0.822 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC001601151134 1017813457 /nfs/dbraw/zinc/81/34/57/1017813457.db2.gz QEIDWODXIDILMY-RQOWECAXSA-N -1 0 307.306 -0.380 20 0 DBADRM NC(=O)CNC(=S)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001601151454 1017813814 /nfs/dbraw/zinc/81/38/14/1017813814.db2.gz DJFNLDDJINPBQU-ZCFIWIBFSA-N -1 0 314.392 -0.010 20 0 DBADRM NC(=O)CCCCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001601149642 1017813892 /nfs/dbraw/zinc/81/38/92/1017813892.db2.gz UKTGIVMUSSBHJM-NXEZZACHSA-N -1 0 311.338 -0.920 20 0 DBADRM NC(=O)CCCC(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001601149157 1017814009 /nfs/dbraw/zinc/81/40/09/1017814009.db2.gz NMCVUVPPBQAJSX-VIFPVBQESA-N -1 0 321.337 -0.475 20 0 DBADRM NC(=O)Cn1cc(C(=O)OCc2ccccc2CC(=O)[O-])nn1 ZINC001601153313 1017814267 /nfs/dbraw/zinc/81/42/67/1017814267.db2.gz IXTUPKZGWFXQRS-UHFFFAOYSA-N -1 0 318.289 -0.253 20 0 DBADRM NC(=O)N1CC[C@@H](CNS(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001601154695 1017814334 /nfs/dbraw/zinc/81/43/34/1017814334.db2.gz SJRZUYHIFTULMB-QMMMGPOBSA-N -1 0 305.356 -0.829 20 0 DBADRM NC(=O)CSCC(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC001601152841 1017814447 /nfs/dbraw/zinc/81/44/47/1017814447.db2.gz TZXHEDVSQMYDQQ-SSDOTTSWSA-N -1 0 303.365 -0.527 20 0 DBADRM NC(=O)Cn1cc(NC(=O)Cc2ccc(C(=O)[O-])nc2)cn1 ZINC001601154848 1017814477 /nfs/dbraw/zinc/81/44/77/1017814477.db2.gz ZJJVOUNRXNVRPD-UHFFFAOYSA-N -1 0 303.278 -0.357 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cc1 ZINC001601156270 1017814550 /nfs/dbraw/zinc/81/45/50/1017814550.db2.gz QUFHSXAJLDPBCT-VXGBXAGGSA-N -1 0 321.333 -0.095 20 0 DBADRM NC(=O)NCCCCC(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001601155745 1017814868 /nfs/dbraw/zinc/81/48/68/1017814868.db2.gz FVMVDXLMQKPKEE-MRVPVSSYSA-N -1 0 303.315 -0.843 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001601152607 1017815032 /nfs/dbraw/zinc/81/50/32/1017815032.db2.gz VOOQYUCAIXZJMM-WDEREUQCSA-N -1 0 322.317 -0.542 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])O1 ZINC001601156838 1017815444 /nfs/dbraw/zinc/81/54/44/1017815444.db2.gz FTLPWSYJNCJRLX-GRYCIOLGSA-N -1 0 321.333 -0.526 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])O1 ZINC001601157245 1017815473 /nfs/dbraw/zinc/81/54/73/1017815473.db2.gz RYXQGBRRBWZWGQ-ZRUFSTJUSA-N -1 0 314.338 -0.595 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])O1 ZINC001601157241 1017815557 /nfs/dbraw/zinc/81/55/57/1017815557.db2.gz RYXQGBRRBWZWGQ-VPOLOUISSA-N -1 0 314.338 -0.595 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001601157429 1017815598 /nfs/dbraw/zinc/81/55/98/1017815598.db2.gz CSSMRZVXHFFACG-WDEREUQCSA-N -1 0 309.322 -0.782 20 0 DBADRM NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC001601157828 1017815749 /nfs/dbraw/zinc/81/57/49/1017815749.db2.gz PGBIFRXCSBKOHD-VIFPVBQESA-N -1 0 313.335 -0.184 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)Nc2ccn(CC(=O)[O-])n2)O1 ZINC001601156815 1017815903 /nfs/dbraw/zinc/81/59/03/1017815903.db2.gz DTKBHUCMKOEMPN-BDAKNGLRSA-N -1 0 310.310 -0.281 20 0 DBADRM NC(=O)NCCC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001601157161 1017815966 /nfs/dbraw/zinc/81/59/66/1017815966.db2.gz GDDUEOREZOLBHV-UHFFFAOYSA-N -1 0 322.321 -0.573 20 0 DBADRM NC(=O)N[C@H]1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001601156959 1017816127 /nfs/dbraw/zinc/81/61/27/1017816127.db2.gz BANYPEXQSGTQGR-VGMNWLOBSA-N -1 0 305.356 -0.688 20 0 DBADRM NC(=O)[C@@H]1CCCN1S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001601158093 1017816210 /nfs/dbraw/zinc/81/62/10/1017816210.db2.gz BNNQPZUYEXVWNT-VIFPVBQESA-N -1 0 304.368 -0.089 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])cn1 ZINC001601162593 1017816508 /nfs/dbraw/zinc/81/65/08/1017816508.db2.gz CYEKKPMBHFAVHQ-SNVBAGLBSA-N -1 0 303.278 -0.740 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)cn1 ZINC001601163296 1017816591 /nfs/dbraw/zinc/81/65/91/1017816591.db2.gz KFKRYIOBEAJZQJ-UHFFFAOYSA-N -1 0 315.289 -0.159 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)O1 ZINC001601159633 1017817303 /nfs/dbraw/zinc/81/73/03/1017817303.db2.gz CIIOQGKQYPUCKK-VWYCJHECSA-N -1 0 308.290 -0.333 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)O1 ZINC001601159639 1017817306 /nfs/dbraw/zinc/81/73/06/1017817306.db2.gz CLHXOLSLUILXHL-VYUIOLGVSA-N -1 0 300.311 -0.841 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])C1 ZINC001601159094 1017817324 /nfs/dbraw/zinc/81/73/24/1017817324.db2.gz ZOGRKOKXZCMXJP-KXUCPTDWSA-N -1 0 311.338 -0.920 20 0 DBADRM NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])o1 ZINC001601165496 1017817931 /nfs/dbraw/zinc/81/79/31/1017817931.db2.gz YRGBIDHIFVCEKF-PVLFTYKWSA-N -1 0 308.290 -0.172 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1 ZINC001601167493 1017817993 /nfs/dbraw/zinc/81/79/93/1017817993.db2.gz UKYOETDELTZBAH-OAHLLOKOSA-N -1 0 322.317 -0.398 20 0 DBADRM NC(=O)c1cccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC001601168277 1017818238 /nfs/dbraw/zinc/81/82/38/1017818238.db2.gz XDXGLPCUNSTPFJ-NSHDSACASA-N -1 0 319.317 -0.665 20 0 DBADRM NC(=O)c1ccc(CC(=O)N[C@]2(C(=O)[O-])CCSC2)cn1 ZINC001601164769 1017818264 /nfs/dbraw/zinc/81/82/64/1017818264.db2.gz UEGVAJHGMJWSQF-CYBMUJFWSA-N -1 0 309.347 -0.201 20 0 DBADRM NC(=O)c1ccc(NC(=O)NCC(=O)NCC(=O)[O-])c(F)c1 ZINC001601166431 1017818325 /nfs/dbraw/zinc/81/83/25/1017818325.db2.gz LCLVXGHBKZBUKT-UHFFFAOYSA-N -1 0 312.257 -0.753 20 0 DBADRM NC(=O)c1ccc(F)c(NC(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001601166144 1017818436 /nfs/dbraw/zinc/81/84/36/1017818436.db2.gz FDDBPSLZWFLDRY-UHFFFAOYSA-N -1 0 312.257 -0.753 20 0 DBADRM NC(=O)c1ccc(/C=C/C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])o1 ZINC001601165127 1017818455 /nfs/dbraw/zinc/81/84/55/1017818455.db2.gz YDEGIXROPZLKJE-DTPIYDDPSA-N -1 0 308.290 -0.002 20 0 DBADRM NC(=O)c1cccc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)n1 ZINC001601169197 1017819154 /nfs/dbraw/zinc/81/91/54/1017819154.db2.gz PIMXJTZVHCYFNR-SNVBAGLBSA-N -1 0 321.289 -0.587 20 0 DBADRM NC(=O)c1csc(NC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])n1 ZINC001601172530 1017819295 /nfs/dbraw/zinc/81/92/95/1017819295.db2.gz UHJNCOBYSWQMGI-UJURSFKZSA-N -1 0 300.296 -0.394 20 0 DBADRM NC(=O)c1cccc(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)n1 ZINC001601169388 1017819298 /nfs/dbraw/zinc/81/92/98/1017819298.db2.gz WGHFLCIVORAUNL-BDAKNGLRSA-N -1 0 307.306 -0.352 20 0 DBADRM NC(=O)c1csc(C(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC001601170255 1017819370 /nfs/dbraw/zinc/81/93/70/1017819370.db2.gz CLXSPZPZCQDJNS-UHFFFAOYSA-N -1 0 309.307 -0.433 20 0 DBADRM NS(=O)(=O)C1(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])CC1 ZINC001601192834 1017822640 /nfs/dbraw/zinc/82/26/40/1017822640.db2.gz VMCWEVNRVTWBJX-SCSAIBSYSA-N -1 0 304.246 -0.671 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC001601191829 1017822978 /nfs/dbraw/zinc/82/29/78/1017822978.db2.gz CQXKPTZRYXSVNO-MRVPVSSYSA-N -1 0 313.335 -0.327 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001601194177 1017823280 /nfs/dbraw/zinc/82/32/80/1017823280.db2.gz OFJSEZQKSNGCGE-ZETCQYMHSA-N -1 0 302.308 -0.272 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(Cc2oncc2C(=O)[O-])C1 ZINC001601193775 1017823412 /nfs/dbraw/zinc/82/34/12/1017823412.db2.gz HUMFLLHZVBZAPV-MRVPVSSYSA-N -1 0 303.340 -0.127 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001601193094 1017823453 /nfs/dbraw/zinc/82/34/53/1017823453.db2.gz LEKFNMHLALMLJT-JZYVYDRUSA-N -1 0 304.368 -0.376 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001601193639 1017823472 /nfs/dbraw/zinc/82/34/72/1017823472.db2.gz DCJCLSMBCQBTCM-SSDOTTSWSA-N -1 0 301.324 -0.394 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(c2nccnc2C(=O)[O-])C1 ZINC001601193643 1017823598 /nfs/dbraw/zinc/82/35/98/1017823598.db2.gz DHQPWQGZQWMPAX-MRVPVSSYSA-N -1 0 300.340 -0.320 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001601193286 1017823750 /nfs/dbraw/zinc/82/37/50/1017823750.db2.gz SWBBCPIFTXAVMQ-JTQLQIEISA-N -1 0 315.351 -0.738 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)/C=C\c2cc(C(=O)[O-])co2)C1 ZINC001601193713 1017824013 /nfs/dbraw/zinc/82/40/13/1017824013.db2.gz GYBCHPJALHGIJY-UPHRSURJSA-N -1 0 300.292 -0.510 20 0 DBADRM NS(=O)(=O)C1CN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)C1 ZINC001601193645 1017824135 /nfs/dbraw/zinc/82/41/35/1017824135.db2.gz DNGZXWHTNXDKPI-UHFFFAOYSA-N -1 0 310.335 -0.266 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)ccn1 ZINC001601196005 1017824481 /nfs/dbraw/zinc/82/44/81/1017824481.db2.gz KMKGTZIZKQFQPV-VIFPVBQESA-N -1 0 311.319 -0.368 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1 ZINC001601195364 1017824739 /nfs/dbraw/zinc/82/47/39/1017824739.db2.gz QOZVFSUHGRZAIO-ZJUUUORDSA-N -1 0 317.367 -0.809 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H](CCF)C(=O)[O-])cs1 ZINC001601196019 1017825260 /nfs/dbraw/zinc/82/52/60/1017825260.db2.gz LAFGIRKYBTUAEY-LURJTMIESA-N -1 0 310.328 -0.062 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)COCC(=O)[O-])s1 ZINC001601198040 1017825563 /nfs/dbraw/zinc/82/55/63/1017825563.db2.gz FSNHJNBWVPVWKP-UHFFFAOYSA-N -1 0 308.337 -0.887 20 0 DBADRM NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](O)C(=O)[O-])c1 ZINC001601199392 1017825669 /nfs/dbraw/zinc/82/56/69/1017825669.db2.gz ZFSYBPRRAOSVGX-QMMMGPOBSA-N -1 0 322.726 -0.837 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC001601197665 1017825721 /nfs/dbraw/zinc/82/57/21/1017825721.db2.gz FOZXPUVWJAJIFB-LBPRGKRZSA-N -1 0 316.310 -0.027 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001601198355 1017826273 /nfs/dbraw/zinc/82/62/73/1017826273.db2.gz NROXQZBNCYKGHH-ONGXEEELSA-N -1 0 300.336 -0.646 20 0 DBADRM NS(=O)(=O)c1cc2c(s1)CCN(C(=O)CC(=O)[O-])C2 ZINC001601197574 1017826443 /nfs/dbraw/zinc/82/64/43/1017826443.db2.gz AJAUMLQCMYDWES-UHFFFAOYSA-N -1 0 304.349 -0.245 20 0 DBADRM Nc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c(F)c1 ZINC001601216965 1017826938 /nfs/dbraw/zinc/82/69/38/1017826938.db2.gz XOGVIWBABOJKAE-VXNVDRBHSA-N -1 0 318.326 -0.136 20 0 DBADRM Nc1c(C(=O)N[C@H](CO)C(=O)[O-])cnn1Cc1ccccc1 ZINC001601207369 1017827197 /nfs/dbraw/zinc/82/71/97/1017827197.db2.gz BFGXXCYLSLVXGT-LLVKDONJSA-N -1 0 304.306 -0.311 20 0 DBADRM Nc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c(F)c1 ZINC001601216963 1017827566 /nfs/dbraw/zinc/82/75/66/1017827566.db2.gz XOGVIWBABOJKAE-CBAPKCEASA-N -1 0 318.326 -0.136 20 0 DBADRM Nc1c(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cnn1-c1ccccn1 ZINC001601206804 1017827624 /nfs/dbraw/zinc/82/76/24/1017827624.db2.gz GSYXTXUFGYNWTE-SCZZXKLOSA-N -1 0 317.305 -0.491 20 0 DBADRM [NH3+][C@H](CCC(=O)[O-])C(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC001601204094 1017827687 /nfs/dbraw/zinc/82/76/87/1017827687.db2.gz ZNQTVYCAEQKCHA-LLVKDONJSA-N -1 0 312.370 -0.462 20 0 DBADRM Nc1nc(C2CC2)ncc1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001601220317 1017827945 /nfs/dbraw/zinc/82/79/45/1017827945.db2.gz WIANYQFUTGQPMH-VIFPVBQESA-N -1 0 322.321 -0.118 20 0 DBADRM Nc1nc(Cl)c(N)c(N2CCC([C@H](O)C(=O)[O-])CC2)n1 ZINC001601220121 1017827989 /nfs/dbraw/zinc/82/79/89/1017827989.db2.gz CPNNMRBZXGMDPK-ZETCQYMHSA-N -1 0 301.734 -0.044 20 0 DBADRM Nc1ncnc2c1ncn2CCCC(=O)NC1(C(=O)[O-])CC1 ZINC001601222251 1017828245 /nfs/dbraw/zinc/82/82/45/1017828245.db2.gz OIKMVPUWYWQSRK-UHFFFAOYSA-N -1 0 304.310 -0.078 20 0 DBADRM Nc1ncc(S(=O)(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cn1 ZINC001601220963 1017828271 /nfs/dbraw/zinc/82/82/71/1017828271.db2.gz CEQRKZAQWFEKRU-SFYZADRCSA-N -1 0 300.340 -0.020 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)NCCSCC(=O)[O-] ZINC001601222332 1017828319 /nfs/dbraw/zinc/82/83/19/1017828319.db2.gz SKDVZAKYYMCGHW-UHFFFAOYSA-N -1 0 324.366 -0.267 20 0 DBADRM Nc1ncnc2c1ncn2CCNC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601222764 1017828488 /nfs/dbraw/zinc/82/84/88/1017828488.db2.gz MXNJZXUSNJTQJL-OCAPTIKFSA-N -1 0 304.310 -0.365 20 0 DBADRM Nc1nnn(CC(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)n1 ZINC001601223998 1017828614 /nfs/dbraw/zinc/82/86/14/1017828614.db2.gz KPVZPSMCWFPFLB-JTQLQIEISA-N -1 0 304.310 -0.543 20 0 DBADRM Nc1n[nH]c(C2CCN(C(=O)Cn3cc(C(=O)[O-])cn3)CC2)n1 ZINC001601222646 1017828865 /nfs/dbraw/zinc/82/88/65/1017828865.db2.gz ICHRUKMXHWPFSZ-UHFFFAOYSA-N -1 0 319.325 -0.312 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001601226838 1017828997 /nfs/dbraw/zinc/82/89/97/1017828997.db2.gz DYCXXPRLPPRFSX-VIFPVBQESA-N -1 0 322.292 -0.164 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC001601225052 1017829127 /nfs/dbraw/zinc/82/91/27/1017829127.db2.gz UWXWPHUVWXRCOY-CYBMUJFWSA-N -1 0 320.284 -0.286 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(=O)N(CCO)C1CC1)C2 ZINC001601225856 1017829230 /nfs/dbraw/zinc/82/92/30/1017829230.db2.gz OVZOBLDCRSUACH-BONVTDFDSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@@H]2C[C@]23C(=O)Nc2ccccc23)C1 ZINC001601226822 1017829340 /nfs/dbraw/zinc/82/93/40/1017829340.db2.gz DLFFOAHBDBJSMQ-CIISACIHSA-N -1 0 316.313 -0.056 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001601227786 1017829377 /nfs/dbraw/zinc/82/93/77/1017829377.db2.gz WNIQMYOGEXVNKK-VIFPVBQESA-N -1 0 322.292 -0.164 20 0 DBADRM Nc1nnn(CC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)n1 ZINC001601225228 1017829412 /nfs/dbraw/zinc/82/94/12/1017829412.db2.gz XMFVSDBHGAYLML-QMMMGPOBSA-N -1 0 308.220 -0.879 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C(=O)N3CC[C@@H]4C[C@@H]4C3)C[C@H]1COCC2 ZINC001601224803 1017829454 /nfs/dbraw/zinc/82/94/54/1017829454.db2.gz PDXZXWYWGMNZAX-LSSIXWDNSA-N -1 0 322.361 -0.196 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001601228439 1017829531 /nfs/dbraw/zinc/82/95/31/1017829531.db2.gz PECLMDMBSAVEBW-LDYMZIIASA-N -1 0 310.272 -0.081 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)C1 ZINC001601227276 1017829657 /nfs/dbraw/zinc/82/96/57/1017829657.db2.gz OGDTZCKBNHSHNQ-VFZGTOFNSA-N -1 0 302.286 -0.446 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC001601225018 1017829865 /nfs/dbraw/zinc/82/98/65/1017829865.db2.gz SNCFWEIBXIFLLW-JTQLQIEISA-N -1 0 302.294 -0.236 20 0 DBADRM O=C(C[C@@H]1CCCS1(=O)=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001601255214 1017830225 /nfs/dbraw/zinc/83/02/25/1017830225.db2.gz HLEDGMKUGZUAOI-DCAQKATOSA-N -1 0 319.379 -0.193 20 0 DBADRM O=C([O-])c1ccc(/C=C\C(=O)NC[C@H](O)Cn2ccnn2)o1 ZINC001601237210 1017830271 /nfs/dbraw/zinc/83/02/71/1017830271.db2.gz OGWWVMKNRMBGQZ-MDHMXLOGSA-N -1 0 306.278 -0.240 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001601248206 1017830364 /nfs/dbraw/zinc/83/03/64/1017830364.db2.gz JQMFMSXYDXNFFQ-RKDXNWHRSA-N -1 0 319.335 -0.733 20 0 DBADRM O=C([O-])c1cnc(CNC(=O)CC2CS(=O)(=O)C2)s1 ZINC001601254733 1017830430 /nfs/dbraw/zinc/83/04/30/1017830430.db2.gz CNXZBMYAPVTLFJ-UHFFFAOYSA-N -1 0 304.349 -0.108 20 0 DBADRM O=C([O-])c1coc(/C=C\C(=O)N[C@H](CO)CN2CCOCC2)c1 ZINC001601234347 1017830560 /nfs/dbraw/zinc/83/05/60/1017830560.db2.gz XAYUWQCTCUBIBI-BIOMNHJASA-N -1 0 324.333 -0.200 20 0 DBADRM O=C([O-])c1ccc(/C=C/C(=O)NC[C@@H](O)Cn2ccnn2)o1 ZINC001601237208 1017830618 /nfs/dbraw/zinc/83/06/18/1017830618.db2.gz OGWWVMKNRMBGQZ-HDMKULJXSA-N -1 0 306.278 -0.240 20 0 DBADRM O=C(C[C@@H]1CCCS1(=O)=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001601255223 1017830957 /nfs/dbraw/zinc/83/09/57/1017830957.db2.gz HLEDGMKUGZUAOI-VWYCJHECSA-N -1 0 319.379 -0.193 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001601257302 1017830988 /nfs/dbraw/zinc/83/09/88/1017830988.db2.gz WBUKPFWUNPJVHE-GXSJLCMTSA-N -1 0 319.379 -0.193 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N[C@H](CO)c2ncc[nH]2)n1 ZINC001601271808 1017831201 /nfs/dbraw/zinc/83/12/01/1017831201.db2.gz HLDKSAASOKLEEX-SNVBAGLBSA-N -1 0 307.310 -0.066 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001601268136 1017831493 /nfs/dbraw/zinc/83/14/93/1017831493.db2.gz UAJDWHDUMNWPCP-RGOKHQFPSA-N -1 0 309.322 -0.456 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001601268293 1017831545 /nfs/dbraw/zinc/83/15/45/1017831545.db2.gz WLKZMJXIUOFEHA-YTWAJWBKSA-N -1 0 323.349 -0.066 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNC(=O)CCCn1ccnc1 ZINC001601274573 1017831551 /nfs/dbraw/zinc/83/15/51/1017831551.db2.gz ZQPAGYNQZLOFCI-GHMZBOCLSA-N -1 0 308.338 -0.384 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)CCCn2cccn2)n1 ZINC001601274518 1017831853 /nfs/dbraw/zinc/83/18/53/1017831853.db2.gz XDKQCCGXDZMQQR-UHFFFAOYSA-N -1 0 318.337 -0.198 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)NCCCc2c[nH][nH]c2=O)n1 ZINC001601272461 1017831871 /nfs/dbraw/zinc/83/18/71/1017831871.db2.gz BMWNXVJTSOIRSB-JTQLQIEISA-N -1 0 321.337 -0.010 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001601268091 1017831999 /nfs/dbraw/zinc/83/19/99/1017831999.db2.gz RFDQNUKTSSXVMC-ZCFIWIBFSA-N -1 0 307.253 -0.457 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)NCCCc2c[nH][nH]c2=O)n1 ZINC001601272462 1017832115 /nfs/dbraw/zinc/83/21/15/1017832115.db2.gz BMWNXVJTSOIRSB-SNVBAGLBSA-N -1 0 321.337 -0.010 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCC(=O)N1CCCO1 ZINC001601284255 1017832282 /nfs/dbraw/zinc/83/22/82/1017832282.db2.gz JTTNUZDBHTYNMP-VHSXEESVSA-N -1 0 300.311 -0.464 20 0 DBADRM O=C(CCN1CCOCC1)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC001601277164 1017832552 /nfs/dbraw/zinc/83/25/52/1017832552.db2.gz WVIRDRIHSHYIDD-CYBMUJFWSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CCn2cc(Br)cn2)C1 ZINC001601299056 1017833489 /nfs/dbraw/zinc/83/34/89/1017833489.db2.gz SJOQMVKEOKKMHO-UHFFFAOYSA-N -1 0 318.127 -0.306 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCn1cnnn1)c1ccc2c(c1)CCO2 ZINC001601300961 1017833511 /nfs/dbraw/zinc/83/35/11/1017833511.db2.gz SYYMGCMOTPJOQO-CYBMUJFWSA-N -1 0 317.305 -0.060 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001601296684 1017833892 /nfs/dbraw/zinc/83/38/92/1017833892.db2.gz LKTXORHQLXAPBJ-KYXWUPHJSA-N -1 0 321.337 -0.779 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)CCn2cncn2)CC1 ZINC001601300008 1017833935 /nfs/dbraw/zinc/83/39/35/1017833935.db2.gz BIZVBALMWGLJSJ-ZJUUUORDSA-N -1 0 321.337 -0.846 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CCn2cc[nH]c(=O)c2=O)nc1 ZINC001601301099 1017834083 /nfs/dbraw/zinc/83/40/83/1017834083.db2.gz ZYTXKFFSXTWFAW-UHFFFAOYSA-N -1 0 318.289 -0.664 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCNC(=O)CCc1cn[nH]c1 ZINC001601293869 1017834189 /nfs/dbraw/zinc/83/41/89/1017834189.db2.gz MFBFBHLUKUGDOY-GHMZBOCLSA-N -1 0 308.338 -0.315 20 0 DBADRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001601299628 1017834345 /nfs/dbraw/zinc/83/43/45/1017834345.db2.gz CKIJUZBJRYMOIX-ZCFIWIBFSA-N -1 0 323.227 -0.552 20 0 DBADRM O=C([O-])[C@@H](CC(F)F)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001601299933 1017834431 /nfs/dbraw/zinc/83/44/31/1017834431.db2.gz JAYQRVOIVJHPOI-ZCFIWIBFSA-N -1 0 305.237 -0.849 20 0 DBADRM O=C([O-])c1occc1CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001601300864 1017834488 /nfs/dbraw/zinc/83/44/88/1017834488.db2.gz URUXOJCHVMENGS-UHFFFAOYSA-N -1 0 307.262 -0.466 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601302824 1017834745 /nfs/dbraw/zinc/83/47/45/1017834745.db2.gz MLUWWPYMLIXAOD-MWGHHZFTSA-N -1 0 324.333 -0.480 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601302823 1017834816 /nfs/dbraw/zinc/83/48/16/1017834816.db2.gz MLUWWPYMLIXAOD-MIZYBKAJSA-N -1 0 324.333 -0.480 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1C(=O)CNC1=O)c1ccccc1F ZINC001601302153 1017834974 /nfs/dbraw/zinc/83/49/74/1017834974.db2.gz BNEXQQPDBATLIM-LLVKDONJSA-N -1 0 309.253 -0.381 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2C[C@H](CCO)[C@H](CO)C2)n1 ZINC001601305777 1017834984 /nfs/dbraw/zinc/83/49/84/1017834984.db2.gz NEAACEJFYQIOJF-QWRGUYRKSA-N -1 0 323.349 -0.359 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001601301928 1017835221 /nfs/dbraw/zinc/83/52/21/1017835221.db2.gz QNKCGUJAGGJNKM-YTWAJWBKSA-N -1 0 306.318 -0.083 20 0 DBADRM O=C(CN1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O)NCC1CC1 ZINC001601303283 1017835257 /nfs/dbraw/zinc/83/52/57/1017835257.db2.gz QFPGIIOZXJSCGY-VHSXEESVSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C(CN1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1)NC1CCCC1 ZINC001601305420 1017835312 /nfs/dbraw/zinc/83/53/12/1017835312.db2.gz JWAVAFUETCECIH-NEPJUHHUSA-N -1 0 309.366 -0.434 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CN1CC[C@@H](c2ccccc2)NC1=O ZINC001601305193 1017835431 /nfs/dbraw/zinc/83/54/31/1017835431.db2.gz ZOFOIUKMNVOBDU-RYUDHWBXSA-N -1 0 321.333 -0.295 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(CC(=O)NC2CCCC2)C1 ZINC001601305423 1017835478 /nfs/dbraw/zinc/83/54/78/1017835478.db2.gz JWAVAFUETCECIH-VXGBXAGGSA-N -1 0 309.366 -0.434 20 0 DBADRM O=C(CN1C(=O)CNC1=O)NC1(C(=O)[O-])CCSCC1 ZINC001601302444 1017835482 /nfs/dbraw/zinc/83/54/82/1017835482.db2.gz LBLXPSSTJNNQJF-UHFFFAOYSA-N -1 0 301.324 -0.995 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(CC(=O)NCC2CCC2)C1 ZINC001601306574 1017835819 /nfs/dbraw/zinc/83/58/19/1017835819.db2.gz SDJSRCTWNOMLSK-QWHCGFSZSA-N -1 0 323.393 -0.329 20 0 DBADRM O=C(CN1CC(=O)NC1=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001601307139 1017835915 /nfs/dbraw/zinc/83/59/15/1017835915.db2.gz XIXDCOIMIRFGGX-JTQLQIEISA-N -1 0 311.338 -0.065 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2cc(=O)c(O)co2)C1=O ZINC001601309550 1017836017 /nfs/dbraw/zinc/83/60/17/1017836017.db2.gz BQVOUBNLIIZJCM-SECBINFHSA-N -1 0 324.289 -0.715 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)NCc1nnc(C2CC2)[nH]1 ZINC001601309918 1017836626 /nfs/dbraw/zinc/83/66/26/1017836626.db2.gz FYKILXMUMUBCEM-SECBINFHSA-N -1 0 321.337 -0.379 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)NCc1nnc2n1CCC2 ZINC001601310961 1017837265 /nfs/dbraw/zinc/83/72/65/1017837265.db2.gz SEGBPVYWVGDIFO-VIFPVBQESA-N -1 0 321.337 -0.836 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001601314447 1017837386 /nfs/dbraw/zinc/83/73/86/1017837386.db2.gz MFHCBCWSDQDCNR-NXEZZACHSA-N -1 0 316.379 -0.219 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NC[C@@H]2CCCC[C@H]2O)C1=O ZINC001601310492 1017837511 /nfs/dbraw/zinc/83/75/11/1017837511.db2.gz MAXLEWSUDWHPGT-QJPTWQEYSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C(CN1CCCCCC1=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001601313909 1017837640 /nfs/dbraw/zinc/83/76/40/1017837640.db2.gz XQDCTRJRNHXYBU-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1 ZINC001601312643 1017837673 /nfs/dbraw/zinc/83/76/73/1017837673.db2.gz PYYHSGKXXKXPGB-KKOKHZNYSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)CN1CCN(c2ccccn2)CC1 ZINC001601315955 1017838384 /nfs/dbraw/zinc/83/83/84/1017838384.db2.gz LAJWXERNFSZKJE-LBPRGKRZSA-N -1 0 322.365 -0.845 20 0 DBADRM O=C(CN1CCOCC1=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001601316649 1017838525 /nfs/dbraw/zinc/83/85/25/1017838525.db2.gz HLACJKUCMJKRFH-WDEREUQCSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1CC(=O)NC(=O)NCc1ccccc1 ZINC001601317454 1017838545 /nfs/dbraw/zinc/83/85/45/1017838545.db2.gz FITOZLCMQRQDLC-VXGBXAGGSA-N -1 0 321.333 -0.468 20 0 DBADRM O=C(CN1CCOC1=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001601316705 1017838747 /nfs/dbraw/zinc/83/87/47/1017838747.db2.gz RIXLIZXZEUELPZ-OPASDULOSA-N -1 0 312.322 -0.033 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2C[C@@H](CO)[C@H](CO)C2)c1 ZINC001601318271 1017838896 /nfs/dbraw/zinc/83/88/96/1017838896.db2.gz SAILGYLIDBJTCR-RYUDHWBXSA-N -1 0 308.334 -0.144 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CN1CCOCC1)Cc1ccncc1 ZINC001601317074 1017838960 /nfs/dbraw/zinc/83/89/60/1017838960.db2.gz UBZKGBNSKSXJBZ-ZDUSSCGKSA-N -1 0 307.350 -0.227 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)NCC(=O)NC1CC1 ZINC001601320902 1017839346 /nfs/dbraw/zinc/83/93/46/1017839346.db2.gz JGQSLKPRNCHINN-SECBINFHSA-N -1 0 321.337 -0.006 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)NCC(=O)NCC(F)F)C2 ZINC001601320924 1017839464 /nfs/dbraw/zinc/83/94/64/1017839464.db2.gz KXMGZYUPEXVAQE-LTMDPNIMSA-N -1 0 305.281 -0.080 20 0 DBADRM O=C([O-])c1cc(F)ccc1NC(=O)C(=O)NCC(=O)NC1CC1 ZINC001601320027 1017839584 /nfs/dbraw/zinc/83/95/84/1017839584.db2.gz BPGNWPCURKINTE-UHFFFAOYSA-N -1 0 323.280 -0.143 20 0 DBADRM O=C([O-])c1c(NC(=O)NCC(=O)NC2CC2)nc2n1CCC2 ZINC001601322104 1017839661 /nfs/dbraw/zinc/83/96/61/1017839661.db2.gz CWFJSHHDUGNCAA-UHFFFAOYSA-N -1 0 307.310 -0.072 20 0 DBADRM O=C(CNC(=O)N1CCCC1)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC001601321496 1017839818 /nfs/dbraw/zinc/83/98/18/1017839818.db2.gz CSKMEEBBVWVLQS-GFCCVEGCSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccccn1 ZINC001601318974 1017840067 /nfs/dbraw/zinc/84/00/67/1017840067.db2.gz IHOIWUDKXOFBHZ-VIFPVBQESA-N -1 0 313.335 -0.796 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)CNC(=O)c2ccccn2)CCOC1 ZINC001601323706 1017840077 /nfs/dbraw/zinc/84/00/77/1017840077.db2.gz DZOMJKMXEBTCIR-AWEZNQCLSA-N -1 0 307.306 -0.581 20 0 DBADRM O=C([O-])c1cc(C(=O)OCC(=O)NCCCn2cccn2)on1 ZINC001601333647 1017840302 /nfs/dbraw/zinc/84/03/02/1017840302.db2.gz NYJCSRPEPVMBOC-UHFFFAOYSA-N -1 0 322.277 -0.067 20 0 DBADRM O=C([O-])c1cc(C(=O)OCC(=O)NC(=O)NC2CC2)ccn1 ZINC001601335788 1017840463 /nfs/dbraw/zinc/84/04/63/1017840463.db2.gz YCGZRGJZBIXXFG-UHFFFAOYSA-N -1 0 307.262 -0.075 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)CCNC(=O)CO ZINC001601330526 1017840847 /nfs/dbraw/zinc/84/08/47/1017840847.db2.gz YIDATYDRSFGETP-MRVPVSSYSA-N -1 0 310.310 -0.969 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)COCc1cccnc1 ZINC001601339612 1017840899 /nfs/dbraw/zinc/84/08/99/1017840899.db2.gz WNXPONQQESVNMT-LLVKDONJSA-N -1 0 310.306 -0.069 20 0 DBADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CCNC(=O)CO ZINC001601330308 1017840950 /nfs/dbraw/zinc/84/09/50/1017840950.db2.gz QYERMBWHSWOYCZ-AWEZNQCLSA-N -1 0 306.318 -0.304 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)COCC(F)F)CC2)CCOC1 ZINC001601337333 1017841014 /nfs/dbraw/zinc/84/10/14/1017841014.db2.gz UCWJXPBGMMARCT-ZDUSSCGKSA-N -1 0 322.308 -0.344 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NCc2nnc3n2CCOC3)cn1 ZINC001601357560 1017841310 /nfs/dbraw/zinc/84/13/10/1017841310.db2.gz BLJIDRUPIZCUOD-UHFFFAOYSA-N -1 0 317.305 -0.240 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001601346315 1017841555 /nfs/dbraw/zinc/84/15/55/1017841555.db2.gz WCEBGVWHAUNMDZ-SCZZXKLOSA-N -1 0 305.352 -0.583 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNC(=O)Cc1ccc(F)cn1 ZINC001601361951 1017841794 /nfs/dbraw/zinc/84/17/94/1017841794.db2.gz QAVHPHAQBSFKLV-GHMZBOCLSA-N -1 0 309.297 -0.284 20 0 DBADRM O=C([O-])[C@H](NC(=O)CC1C(=O)N=CNC1=O)c1ccccn1 ZINC001601352058 1017841965 /nfs/dbraw/zinc/84/19/65/1017841965.db2.gz GUTFJAJVQKDNOD-SNVBAGLBSA-N -1 0 304.262 -0.233 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NCCN1CCNC1=O ZINC001601340913 1017842177 /nfs/dbraw/zinc/84/21/77/1017842177.db2.gz LPOFBWSVRNLWOY-UHFFFAOYSA-N -1 0 312.282 -0.969 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001601370785 1017842462 /nfs/dbraw/zinc/84/24/62/1017842462.db2.gz CYMIBFYFUXWKLG-HJQYOEGKSA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)Cc2ccc[nH]2)nc1 ZINC001601363031 1017842840 /nfs/dbraw/zinc/84/28/40/1017842840.db2.gz MJRDMXLHXKCRLK-NSHDSACASA-N -1 0 319.321 -0.365 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)Cc2cc[nH]n2)CC1 ZINC001601371069 1017842871 /nfs/dbraw/zinc/84/28/71/1017842871.db2.gz RPZKTLXGGHKFDX-UWVGGRQHSA-N -1 0 306.322 -0.562 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)Cc1ccccc1O[C@H]1CCOC1 ZINC001601370227 1017842989 /nfs/dbraw/zinc/84/29/89/1017842989.db2.gz VGNDJBNKKQJATL-RYUDHWBXSA-N -1 0 309.318 -0.042 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCNC(=O)Cc1cc[nH]n1)C1CC1 ZINC001601371086 1017843363 /nfs/dbraw/zinc/84/33/63/1017843363.db2.gz SHQXFIZNBQDHQB-VXGBXAGGSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)Cc2ccon2)nc1 ZINC001601371473 1017843417 /nfs/dbraw/zinc/84/34/17/1017843417.db2.gz OBQSRZNWNQNOMI-JTQLQIEISA-N -1 0 321.293 -0.706 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)Cc2cnn(-c3ccccc3)n2)C1 ZINC001601372162 1017843426 /nfs/dbraw/zinc/84/34/26/1017843426.db2.gz PSCZDPLKWJDGEX-HNNXBMFYSA-N -1 0 316.317 -0.142 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)n1 ZINC001601376183 1017843924 /nfs/dbraw/zinc/84/39/24/1017843924.db2.gz MGIIOZJQYMDIEP-QMMMGPOBSA-N -1 0 317.309 -0.770 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)Cc3ncc[nH]3)C2)nc1 ZINC001601375914 1017844075 /nfs/dbraw/zinc/84/40/75/1017844075.db2.gz DLWPPUSLIQKTIN-SNVBAGLBSA-N -1 0 316.321 -0.165 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)Cc2csc(-c3nc[nH]n3)n2)C1 ZINC001601374192 1017844175 /nfs/dbraw/zinc/84/41/75/1017844175.db2.gz YQIRALMALREGOG-GFCCVEGCSA-N -1 0 323.334 -0.481 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NCCS(=O)(=O)C2CC2)c1 ZINC001601380441 1017844296 /nfs/dbraw/zinc/84/42/96/1017844296.db2.gz WJVYZGRBASLURH-UHFFFAOYSA-N -1 0 301.324 -0.725 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001601376339 1017844484 /nfs/dbraw/zinc/84/44/84/1017844484.db2.gz SBBHKKCMFXAWCE-VLEAKVRGSA-N -1 0 320.349 -0.316 20 0 DBADRM O=C(Cc1csc(-c2nc[nH]n2)n1)N[C@]1(C(=O)[O-])CCOC1 ZINC001601373460 1017844512 /nfs/dbraw/zinc/84/45/12/1017844512.db2.gz OHATZTTWFUFSTM-GFCCVEGCSA-N -1 0 323.334 -0.169 20 0 DBADRM O=C([O-])c1cnn(CC(=O)Nc2ccnc(OCCO)c2)c1 ZINC001601380758 1017844842 /nfs/dbraw/zinc/84/48/42/1017844842.db2.gz QLTXKYXAESEZHD-UHFFFAOYSA-N -1 0 306.278 -0.014 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N[C@H]2CC(=O)N(CC3CC3)C2)n1 ZINC001601384330 1017844928 /nfs/dbraw/zinc/84/49/28/1017844928.db2.gz HXNYDKONBUZNSB-JTQLQIEISA-N -1 0 306.322 -0.292 20 0 DBADRM O=C([O-])c1cnn(CC(=O)OCc2nnc3n2CCOC3)c1 ZINC001601381647 1017845451 /nfs/dbraw/zinc/84/54/51/1017845451.db2.gz ITIKFSVOZQBWQH-UHFFFAOYSA-N -1 0 307.266 -0.554 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@@H]2CCCCS2(=O)=O)nn1 ZINC001601382914 1017845526 /nfs/dbraw/zinc/84/55/26/1017845526.db2.gz UAYJQIWJAFWVBM-QMMMGPOBSA-N -1 0 316.339 -0.940 20 0 DBADRM O=C([O-])c1ccn(CC(=O)Nc2cnc3c(c2)CNC3=O)n1 ZINC001601385449 1017845686 /nfs/dbraw/zinc/84/56/86/1017845686.db2.gz LZLITTZDAHVCMM-UHFFFAOYSA-N -1 0 301.262 -0.142 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@H]2Cc3cccc(O)c3C2)nn1 ZINC001601381931 1017845720 /nfs/dbraw/zinc/84/57/20/1017845720.db2.gz MTGVGXPPQSWTPH-VIFPVBQESA-N -1 0 302.290 -0.035 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)Cn2cccn2)CCC1 ZINC001601389335 1017845894 /nfs/dbraw/zinc/84/58/94/1017845894.db2.gz KXIZSPQJDDHGAD-GHMZBOCLSA-N -1 0 320.349 -0.241 20 0 DBADRM O=C([O-])[C@@H](C[C@@H]1CCCOC1)NC(=O)Cn1cccnc1=O ZINC001601389623 1017845942 /nfs/dbraw/zinc/84/59/42/1017845942.db2.gz VNDMSBFAFJJMJH-WDEREUQCSA-N -1 0 309.322 -0.371 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cccn1 ZINC001601389668 1017846204 /nfs/dbraw/zinc/84/62/04/1017846204.db2.gz XOKUMHHGEUSNQV-OQEOFVATSA-N -1 0 318.333 -0.823 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cn2cccn2)C1 ZINC001601389114 1017846227 /nfs/dbraw/zinc/84/62/27/1017846227.db2.gz AXBYHQYOWNWKFP-KXNHARMFSA-N -1 0 320.349 -0.385 20 0 DBADRM O=C([O-])c1ncn(CC(=O)NC2CCC3(CC2)OCCO3)n1 ZINC001601390074 1017846376 /nfs/dbraw/zinc/84/63/76/1017846376.db2.gz MJXGHXISSZXDOF-UHFFFAOYSA-N -1 0 310.310 -0.222 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N[C@@H]2CCc3cncn3C2)c1=O ZINC001601386482 1017846639 /nfs/dbraw/zinc/84/66/39/1017846639.db2.gz HVYVJQLBIMFNPS-SNVBAGLBSA-N -1 0 316.317 -0.126 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCCCN2CCOC2=O)c1=O ZINC001601388638 1017846699 /nfs/dbraw/zinc/84/66/99/1017846699.db2.gz PBHFIJROEJADMA-UHFFFAOYSA-N -1 0 323.305 -0.495 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)Cn1ncc(=O)c2ccccc21 ZINC001601391020 1017846886 /nfs/dbraw/zinc/84/68/86/1017846886.db2.gz HDWAOYGBRSLLDN-NSHDSACASA-N -1 0 305.290 -0.652 20 0 DBADRM O=C([O-])[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C1CCCCC1 ZINC001601392949 1017847021 /nfs/dbraw/zinc/84/70/21/1017847021.db2.gz GDPFEVPMCNHSCR-FDYHWXHSSA-N -1 0 313.350 -0.451 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)Cn1ncc2cccnc21 ZINC001601391973 1017847185 /nfs/dbraw/zinc/84/71/85/1017847185.db2.gz ZOXJOXCVWXOTAH-LLVKDONJSA-N -1 0 314.305 -0.034 20 0 DBADRM O=C([O-])c1nc(C(=O)N[C@H](CO)CC2OCCO2)cs1 ZINC001601420013 1017847786 /nfs/dbraw/zinc/84/77/86/1017847786.db2.gz KSOZBOGWJSOJJN-LURJTMIESA-N -1 0 302.308 -0.305 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)c1ccnc2ccnn21 ZINC001601425782 1017847859 /nfs/dbraw/zinc/84/78/59/1017847859.db2.gz JNFCNGNTZQSFKT-SECBINFHSA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])C1(NC(=O)c2nnc3ccccc3n2)CC(CO)C1 ZINC001601427094 1017848024 /nfs/dbraw/zinc/84/80/24/1017848024.db2.gz PILPLCPJUQJAJM-UHFFFAOYSA-N -1 0 302.290 -0.020 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cnc2[nH]ccc2c1 ZINC001601428916 1017848040 /nfs/dbraw/zinc/84/80/40/1017848040.db2.gz ORCBIWOVUIIQTR-SNVBAGLBSA-N -1 0 300.278 -0.011 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@H](CO)[C@H](O)c2ccccn2)cn1 ZINC001601420036 1017848114 /nfs/dbraw/zinc/84/81/14/1017848114.db2.gz LGORDJCLQMTCKE-CHWSQXEVSA-N -1 0 317.301 -0.001 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cc2c(cn1)OCCC2 ZINC001601429520 1017848183 /nfs/dbraw/zinc/84/81/83/1017848183.db2.gz STHZQWIFLGFHJB-LLVKDONJSA-N -1 0 317.305 -0.119 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1cc(F)cc2n[nH]nc21 ZINC001601429173 1017848430 /nfs/dbraw/zinc/84/84/30/1017848430.db2.gz QPGWUMQGHJSGSN-VIFPVBQESA-N -1 0 319.256 -0.428 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)N2CC[C@@](F)(CO)C2)CC1 ZINC001601435138 1017849218 /nfs/dbraw/zinc/84/92/18/1017849218.db2.gz APYDLWFYFRALJI-FDZGAKKTSA-N -1 0 316.329 -0.321 20 0 DBADRM O=C([O-])c1cc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)c[nH]1 ZINC001601433681 1017849326 /nfs/dbraw/zinc/84/93/26/1017849326.db2.gz LPIJKJBAOWNYRR-UHFFFAOYSA-N -1 0 320.349 -0.364 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC(F)(F)C2)CCO1 ZINC001601438234 1017849398 /nfs/dbraw/zinc/84/93/98/1017849398.db2.gz URGRCVOISKXYRE-DTWKUNHWSA-N -1 0 320.292 -0.008 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)c1 ZINC001601435006 1017849453 /nfs/dbraw/zinc/84/94/53/1017849453.db2.gz ZQRPMZYZTSCJAB-NSHDSACASA-N -1 0 321.337 -0.356 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)cn1 ZINC001601434143 1017849518 /nfs/dbraw/zinc/84/95/18/1017849518.db2.gz OUIVFCORIYUZRC-SECBINFHSA-N -1 0 319.321 -0.149 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2ccnnc2)CC1 ZINC001601442056 1017850293 /nfs/dbraw/zinc/85/02/93/1017850293.db2.gz YVWZCYSZGABDHO-RYUDHWBXSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2cccc(=O)[nH]2)C1 ZINC001601447685 1017850400 /nfs/dbraw/zinc/85/04/00/1017850400.db2.gz IZCUOHOHABDHBQ-BDAKNGLRSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C1 ZINC001601444041 1017850458 /nfs/dbraw/zinc/85/04/58/1017850458.db2.gz GJWZCDAITUDKOQ-SKDRFNHKSA-N -1 0 300.311 -0.835 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)CNC(=O)c2ccncc2)CC1 ZINC001601446039 1017850640 /nfs/dbraw/zinc/85/06/40/1017850640.db2.gz FWVAYBGDNYOLCI-CYBMUJFWSA-N -1 0 321.333 -0.505 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)c3ccncn3)C2)n1 ZINC001601443617 1017850675 /nfs/dbraw/zinc/85/06/75/1017850675.db2.gz QXRGAVKUQNCFQK-VIFPVBQESA-N -1 0 314.305 -0.027 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001601444929 1017850680 /nfs/dbraw/zinc/85/06/80/1017850680.db2.gz VOTCYSLLIPABRK-QISWUMQESA-N -1 0 317.363 -0.440 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2ccc(F)nc2)C1 ZINC001601447497 1017850781 /nfs/dbraw/zinc/85/07/81/1017850781.db2.gz HEHLIMZCTAKCTH-UWVGGRQHSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@H](CNC(=O)c1ccc2n[nH]c(=O)n2c1)[C@H]1CCOC1 ZINC001601453150 1017851163 /nfs/dbraw/zinc/85/11/63/1017851163.db2.gz IBAIZAAKDWZECU-VHSXEESVSA-N -1 0 320.305 -0.098 20 0 DBADRM O=C([O-])[C@H](CNC(=O)c1cnn(C[C@H](O)CO)c1)CC1CC1 ZINC001601458716 1017851179 /nfs/dbraw/zinc/85/11/79/1017851179.db2.gz NSILCYONRHAKFZ-JQWIXIFHSA-N -1 0 311.338 -0.533 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCc2nncn2C1)[C@@H]1CCOC1 ZINC001601451165 1017851198 /nfs/dbraw/zinc/85/11/98/1017851198.db2.gz DFHNSEMFLJYFLB-MXWKQRLJSA-N -1 0 308.338 -0.306 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@H](O)CN2CCCC2=O)ccn1 ZINC001601466534 1017851311 /nfs/dbraw/zinc/85/13/11/1017851311.db2.gz MOUTWSCOUNVCBR-JTQLQIEISA-N -1 0 307.306 -0.507 20 0 DBADRM O=C([O-])[C@H](CNC(=O)c1ccc2n[nH]nc2n1)[C@H]1CCOC1 ZINC001601457329 1017851384 /nfs/dbraw/zinc/85/13/84/1017851384.db2.gz SQGCYQJUAZZMBA-JGVFFNPUSA-N -1 0 305.294 -0.180 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)CNC(=O)c1ccsc1 ZINC001601450059 1017851536 /nfs/dbraw/zinc/85/15/36/1017851536.db2.gz ZHWUKPXWXPUMHR-GXSJLCMTSA-N -1 0 312.347 -0.086 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CCc2nncn2C1)[C@@H]1CCOC1 ZINC001601451163 1017851656 /nfs/dbraw/zinc/85/16/56/1017851656.db2.gz DFHNSEMFLJYFLB-AXFHLTTASA-N -1 0 308.338 -0.306 20 0 DBADRM O=C([O-])c1nc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)cs1 ZINC001601475647 1017852141 /nfs/dbraw/zinc/85/21/41/1017852141.db2.gz SXVKKPWABRQKGX-JTQLQIEISA-N -1 0 320.348 -0.879 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)c2cn(-c3cccnc3)nn2)CCOC1 ZINC001601471222 1017852286 /nfs/dbraw/zinc/85/22/86/1017852286.db2.gz ARMXYBGOJLQKPW-AWEZNQCLSA-N -1 0 317.305 -0.117 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)[C@@H]2CCc3nnnn3CC2)CCOC1 ZINC001601471874 1017852344 /nfs/dbraw/zinc/85/23/44/1017852344.db2.gz AIUPQMGKGLXGOC-NOZJJQNGSA-N -1 0 309.326 -0.767 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC001601468753 1017852852 /nfs/dbraw/zinc/85/28/52/1017852852.db2.gz YVDDHGQBHHFVCC-GHMZBOCLSA-N -1 0 319.317 -0.062 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@H]1CSCCS1 ZINC001601487786 1017853470 /nfs/dbraw/zinc/85/34/70/1017853470.db2.gz IJBQOBFCQXNPEW-BQBZGAKWSA-N -1 0 310.372 -0.510 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001601485680 1017853930 /nfs/dbraw/zinc/85/39/30/1017853930.db2.gz JSXWXEDUHUTYMD-FHUSYTEZSA-N -1 0 324.377 -0.167 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CSCCS1 ZINC001601488025 1017854289 /nfs/dbraw/zinc/85/42/89/1017854289.db2.gz MDYUSEYYMRHMDB-IWSPIJDZSA-N -1 0 318.420 -0.212 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001601487939 1017854474 /nfs/dbraw/zinc/85/44/74/1017854474.db2.gz KQAONVMJDWUKFU-QWRGUYRKSA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCC[C@]2(O)CCOC2)n1 ZINC001601491279 1017855061 /nfs/dbraw/zinc/85/50/61/1017855061.db2.gz RILYLWMUAJKTGM-AWEZNQCLSA-N -1 0 323.305 -0.624 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCCC(F)(F)F)C1 ZINC001601492132 1017855105 /nfs/dbraw/zinc/85/51/05/1017855105.db2.gz KZIKXSJEIZCDEP-NKWVEPMBSA-N -1 0 312.244 -0.651 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)NCCCN2C(=O)CCC2=O)C1 ZINC001601498182 1017855571 /nfs/dbraw/zinc/85/55/71/1017855571.db2.gz HDOAFRPTVJUVNZ-JTQLQIEISA-N -1 0 309.322 -0.002 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)C(=O)NCCCc2ccccc2)C1 ZINC001601501280 1017855375 /nfs/dbraw/zinc/85/53/75/1017855375.db2.gz KJLJTXLHIZPGLE-INIZCTEOSA-N -1 0 320.345 -0.217 20 0 DBADRM O=C(NCCCn1ccc(=O)[nH]c1=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001601501036 1017855463 /nfs/dbraw/zinc/85/54/63/1017855463.db2.gz RSXMVOLOTSDJPB-KYZUINATSA-N -1 0 310.310 -0.499 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NCCCc2cccc(F)c2)C1 ZINC001601500520 1017855513 /nfs/dbraw/zinc/85/55/13/1017855513.db2.gz MJKXQYNKDVCUGT-UHFFFAOYSA-N -1 0 324.308 -0.468 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)NCCCn3cncn3)C[C@H]1COCC2 ZINC001601500685 1017855611 /nfs/dbraw/zinc/85/56/11/1017855611.db2.gz IYXMWJWCESSJDB-SMDDNHRTSA-N -1 0 323.353 -0.199 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCCn2cc(CO)nn2)C1 ZINC001601501055 1017855656 /nfs/dbraw/zinc/85/56/56/1017855656.db2.gz UBRJORAOCARBRQ-ZJUUUORDSA-N -1 0 311.342 -0.287 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)CCCNC(=O)c2cccnc2)C1 ZINC001601495357 1017856035 /nfs/dbraw/zinc/85/60/35/1017856035.db2.gz ZEEWYCRYNXPZEV-OAHLLOKOSA-N -1 0 321.333 -0.360 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCCCO2)CCO1 ZINC001601494175 1017856059 /nfs/dbraw/zinc/85/60/59/1017856059.db2.gz RYZIHHOETBKECX-QWRGUYRKSA-N -1 0 314.338 -0.626 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCCO[C@H]2CCOC2)C1 ZINC001601499377 1017856179 /nfs/dbraw/zinc/85/61/79/1017856179.db2.gz GSAIYUPWGDXQKV-QWRGUYRKSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCCCO2)CCO1 ZINC001601494176 1017856357 /nfs/dbraw/zinc/85/63/57/1017856357.db2.gz RYZIHHOETBKECX-WDEREUQCSA-N -1 0 314.338 -0.626 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCCNC(=O)c1cnon1)C1CC1 ZINC001601498099 1017856405 /nfs/dbraw/zinc/85/64/05/1017856405.db2.gz ACNONMYKBSPQBA-NXEZZACHSA-N -1 0 322.321 -0.099 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNC(=O)c1ncnc2[nH]ccc21 ZINC001601504662 1017856556 /nfs/dbraw/zinc/85/65/56/1017856556.db2.gz YPQGMBPDEJUWPO-BDAKNGLRSA-N -1 0 317.305 -0.524 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)NCCOc2cccnc2)CC1 ZINC001601505967 1017856577 /nfs/dbraw/zinc/85/65/77/1017856577.db2.gz BLALBVANCLDXQS-UHFFFAOYSA-N -1 0 321.333 -0.100 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NCCN1Cc2ccccc2C1 ZINC001601502557 1017856705 /nfs/dbraw/zinc/85/67/05/1017856705.db2.gz ZTRZCCPHVXLNKH-LBPRGKRZSA-N -1 0 323.324 -0.343 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNC(=O)c1cn2cccnc2n1 ZINC001601502884 1017856791 /nfs/dbraw/zinc/85/67/91/1017856791.db2.gz CBIOFKXCEWIGTN-BDAKNGLRSA-N -1 0 317.305 -0.704 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNC(=O)c1cnc(C2CC2)nc1 ZINC001601503561 1017856798 /nfs/dbraw/zinc/85/67/98/1017856798.db2.gz NKCKTBXQIUKIBC-MNOVXSKESA-N -1 0 318.333 -0.079 20 0 DBADRM O=C([O-])c1c(NC(=O)NCCN2CCOCC2)nc2n1CCC2 ZINC001601502559 1017856849 /nfs/dbraw/zinc/85/68/49/1017856849.db2.gz ZWQXJTAMTVFQRK-UHFFFAOYSA-N -1 0 323.353 -0.019 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1cn2ccccc2n1 ZINC001601504041 1017857024 /nfs/dbraw/zinc/85/70/24/1017857024.db2.gz RDDNAWIBBJALRG-NXEZZACHSA-N -1 0 316.317 -0.099 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1cnc2n1CCC2 ZINC001601503944 1017857187 /nfs/dbraw/zinc/85/71/87/1017857187.db2.gz OGSPANMPKUZOGX-RKDXNWHRSA-N -1 0 306.322 -0.604 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1ccn(C(F)F)n1 ZINC001601503118 1017857270 /nfs/dbraw/zinc/85/72/70/1017857270.db2.gz HRYXBAJLHYITNZ-NKWVEPMBSA-N -1 0 316.264 -0.155 20 0 DBADRM O=C(NCCNC(=O)c1ccco1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601504448 1017857312 /nfs/dbraw/zinc/85/73/12/1017857312.db2.gz VAYDUIFWYQOBHI-DTORHVGOSA-N -1 0 323.305 -0.895 20 0 DBADRM O=C([O-])C12CC(C(=O)N3CCC(C(=O)NCCO)CC3)(C1)C2 ZINC001601504717 1017857411 /nfs/dbraw/zinc/85/74/11/1017857411.db2.gz PSGFLGVNPJVRHU-UHFFFAOYSA-N -1 0 310.350 -0.412 20 0 DBADRM O=C([O-])c1cc(F)ccc1NC(=O)C(=O)NCCOCCO ZINC001601505746 1017857427 /nfs/dbraw/zinc/85/74/27/1017857427.db2.gz SJJZSMMILNWQIC-UHFFFAOYSA-N -1 0 314.269 -0.413 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1cnc(C2CC2)nc1 ZINC001601503560 1017857486 /nfs/dbraw/zinc/85/74/86/1017857486.db2.gz NKCKTBXQIUKIBC-GHMZBOCLSA-N -1 0 318.333 -0.079 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCCNC(=O)c2ccco2)CCC1 ZINC001601503168 1017857498 /nfs/dbraw/zinc/85/74/98/1017857498.db2.gz ATMVUDHUTODJRO-UHFFFAOYSA-N -1 0 316.335 -0.064 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)NCCn2cccc2)CC1 ZINC001601517633 1017857881 /nfs/dbraw/zinc/85/78/81/1017857881.db2.gz FHOZJASICOGWNJ-LBPRGKRZSA-N -1 0 323.349 -0.712 20 0 DBADRM O=C([O-])c1cc(F)ccc1NC(=O)C(=O)NCCn1cncn1 ZINC001601517974 1017857986 /nfs/dbraw/zinc/85/79/86/1017857986.db2.gz KBKICEJIPCZLOS-UHFFFAOYSA-N -1 0 321.268 -0.130 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001601507525 1017858147 /nfs/dbraw/zinc/85/81/47/1017858147.db2.gz DQORIPSGXPVWFN-OLZOCXBDSA-N -1 0 320.345 -0.013 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@H](CO)CC2CCC2)nn1 ZINC001601517758 1017858240 /nfs/dbraw/zinc/85/82/40/1017858240.db2.gz LDEVGNVNOFBKFI-JTQLQIEISA-N -1 0 311.342 -0.173 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@@H](CCO)c2ccco2)nn1 ZINC001601518462 1017858250 /nfs/dbraw/zinc/85/82/50/1017858250.db2.gz VOGSTGJIUVLHHF-VIFPVBQESA-N -1 0 323.309 -0.008 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)nn1 ZINC001601517793 1017858374 /nfs/dbraw/zinc/85/83/74/1017858374.db2.gz MANDRXHEXUHCES-AXFHLTTASA-N -1 0 321.337 -0.133 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCCc2ccccn2)C1 ZINC001601515118 1017858400 /nfs/dbraw/zinc/85/84/00/1017858400.db2.gz SQKJFEXLPNAHKN-CMPLNLGQSA-N -1 0 321.333 -0.966 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCC2(CO)CCC2)nn1 ZINC001601518397 1017858513 /nfs/dbraw/zinc/85/85/13/1017858513.db2.gz VANGANFLKCJMHN-UHFFFAOYSA-N -1 0 311.342 -0.172 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)C(=O)N2CC[C@@H](CO)C2)cc1 ZINC001601507801 1017858517 /nfs/dbraw/zinc/85/85/17/1017858517.db2.gz ICUUBNUFYLNEOU-GFCCVEGCSA-N -1 0 320.345 -0.116 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001601519727 1017858746 /nfs/dbraw/zinc/85/87/46/1017858746.db2.gz CWWRAOYHMYLCHH-NTSWFWBYSA-N -1 0 316.207 -0.685 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCc2ccc(O)cc2C1 ZINC001601519759 1017858955 /nfs/dbraw/zinc/85/89/55/1017858955.db2.gz DNODPAPQAQBREZ-NSHDSACASA-N -1 0 310.281 -0.184 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC001601520079 1017858961 /nfs/dbraw/zinc/85/89/61/1017858961.db2.gz BVWRMPYILRXKMB-WPRPVWTQSA-N -1 0 302.302 -0.447 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001601520444 1017859020 /nfs/dbraw/zinc/85/90/20/1017859020.db2.gz QKUJSMHEAWHBJS-KIOSUUARSA-N -1 0 300.286 -0.935 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC001601519911 1017859138 /nfs/dbraw/zinc/85/91/38/1017859138.db2.gz JCRSOQZJIKPVGS-GUBZILKMSA-N -1 0 302.302 -0.401 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001601522764 1017859262 /nfs/dbraw/zinc/85/92/62/1017859262.db2.gz FUBBAZNKHZTODO-VSSNEEPJSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(F)(F)C1 ZINC001601522758 1017859328 /nfs/dbraw/zinc/85/93/28/1017859328.db2.gz FRMAKUFCWZHZMH-HTQZYQBOSA-N -1 0 306.265 -0.540 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1ccc(CN2CCOCC2)cn1 ZINC001601523410 1017859797 /nfs/dbraw/zinc/85/97/97/1017859797.db2.gz DTARXQMMWJGHML-LBPRGKRZSA-N -1 0 309.322 -0.911 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2csnn2)C1 ZINC001601525474 1017860091 /nfs/dbraw/zinc/86/00/91/1017860091.db2.gz LIWBFTGIGQBJER-KZVJFYERSA-N -1 0 324.362 -0.117 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCSCC1 ZINC001601523172 1017860102 /nfs/dbraw/zinc/86/01/02/1017860102.db2.gz WIBMPOIQQKPLFH-NXEZZACHSA-N -1 0 316.379 -0.442 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001601527036 1017861109 /nfs/dbraw/zinc/86/11/09/1017861109.db2.gz ODGLSJJMTBMCSH-FNCVBFRFSA-N -1 0 324.312 -0.106 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1cc(N2CCOCC2)ncn1 ZINC001601528695 1017861304 /nfs/dbraw/zinc/86/13/04/1017861304.db2.gz PIHXMWJBJIOAID-NXEZZACHSA-N -1 0 306.322 -0.236 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC001601527259 1017861356 /nfs/dbraw/zinc/86/13/56/1017861356.db2.gz VQJXQJJJIMLYFB-OOCWMUITSA-N -1 0 322.361 -0.103 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C1OCCO1 ZINC001601527101 1017861506 /nfs/dbraw/zinc/86/15/06/1017861506.db2.gz PZKBXCSIAWWACN-OPRDCNLKSA-N -1 0 312.322 -0.813 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@H](CNC(=O)c3ccn[nH]3)C2)n1 ZINC001601527298 1017861731 /nfs/dbraw/zinc/86/17/31/1017861731.db2.gz XVXIVJPFHMWLJA-KYZUINATSA-N -1 0 316.321 -0.060 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCc2ccc(-n3ccnc3)nc2)C1 ZINC001601533159 1017861766 /nfs/dbraw/zinc/86/17/66/1017861766.db2.gz AOBGMEXMXHSOJN-UHFFFAOYSA-N -1 0 317.305 -0.392 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC001601572699 1017862092 /nfs/dbraw/zinc/86/20/92/1017862092.db2.gz VENWVZHBEFQZJF-AXFHLTTASA-N -1 0 321.337 -0.579 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001601572719 1017862264 /nfs/dbraw/zinc/86/22/64/1017862264.db2.gz YKBDNZSJUOUVAP-GJMOJQLCSA-N -1 0 324.255 -0.245 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1ccc(N2CCOCC2)nc1 ZINC001601570116 1017862343 /nfs/dbraw/zinc/86/23/43/1017862343.db2.gz NOGADRPRUQRXJA-WCQYABFASA-N -1 0 321.333 -0.110 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC001601572720 1017862519 /nfs/dbraw/zinc/86/25/19/1017862519.db2.gz YKBDNZSJUOUVAP-RNJXMRFFSA-N -1 0 324.255 -0.245 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)[C@H]2C[C@H]21 ZINC001601572236 1017862626 /nfs/dbraw/zinc/86/26/26/1017862626.db2.gz CHSMWGIQYIYFCK-IUKTUWMPSA-N -1 0 321.329 -0.068 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001601573809 1017862688 /nfs/dbraw/zinc/86/26/88/1017862688.db2.gz LLWNINOPGZHWEC-YTWAJWBKSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)C2=COCCO2)C1 ZINC001601573177 1017862719 /nfs/dbraw/zinc/86/27/19/1017862719.db2.gz CTMVGOXKHUFFNV-JXUBOQSCSA-N -1 0 310.306 -0.641 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2ccnnc2)C1 ZINC001601574457 1017863208 /nfs/dbraw/zinc/86/32/08/1017863208.db2.gz WACBSODADDGUPN-SASUGWTJSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cn2)CCO1 ZINC001601603824 1017863595 /nfs/dbraw/zinc/86/35/95/1017863595.db2.gz YVNGFTFNHKOYPT-QMMMGPOBSA-N -1 0 313.697 -0.015 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)c2ccnnc2)C1 ZINC001601578212 1017863628 /nfs/dbraw/zinc/86/36/28/1017863628.db2.gz VRGBKEQLZJKTSH-DBIOUOCHSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)N(CCO)CCO)c1 ZINC001601582822 1017863726 /nfs/dbraw/zinc/86/37/26/1017863726.db2.gz JUGBPASASLFZPD-UHFFFAOYSA-N -1 0 314.269 -0.724 20 0 DBADRM O=C([O-])c1cc(NC(=O)NC(CO)(CO)CO)ccc1F ZINC001601604146 1017864178 /nfs/dbraw/zinc/86/41/78/1017864178.db2.gz BGNDJMHVNUMHIR-UHFFFAOYSA-N -1 0 302.258 -0.639 20 0 DBADRM O=C([O-])c1ccc(NC(=O)NC(CO)(CO)CO)cc1F ZINC001601596330 1017864363 /nfs/dbraw/zinc/86/43/63/1017864363.db2.gz RWAWYRYVLSBNBB-UHFFFAOYSA-N -1 0 302.258 -0.639 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(F)cn1 ZINC001601606228 1017864571 /nfs/dbraw/zinc/86/45/71/1017864571.db2.gz GUSYYMNGLNFQPK-PSASIEDQSA-N -1 0 311.269 -0.404 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NS(=O)(=O)CC[C@H]1CCCO1 ZINC001601643149 1017864841 /nfs/dbraw/zinc/86/48/41/1017864841.db2.gz BLTGVZKEZCRELM-ZJUUUORDSA-N -1 0 323.367 -0.309 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NS(=O)(=O)CC[C@H]1CCOC1 ZINC001601646343 1017864881 /nfs/dbraw/zinc/86/48/81/1017864881.db2.gz SHNFGZHUKBIPRI-ZJUUUORDSA-N -1 0 323.367 -0.451 20 0 DBADRM O=C([O-])[C@@H](CCF)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001601645421 1017864925 /nfs/dbraw/zinc/86/49/25/1017864925.db2.gz RFRDWXBXVCFARH-UTUOFQBUSA-N -1 0 318.345 -0.205 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NS(=O)(=O)CCn1cccn1 ZINC001601645821 1017865338 /nfs/dbraw/zinc/86/53/38/1017865338.db2.gz POHFKSGMBWMACA-VIFPVBQESA-N -1 0 319.339 -0.981 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001601656422 1017864942 /nfs/dbraw/zinc/86/49/42/1017864942.db2.gz IUBUFCJYZXVHOR-VHSXEESVSA-N -1 0 313.331 -0.491 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)[C@@H](O)c1ccccn1 ZINC001601646748 1017865136 /nfs/dbraw/zinc/86/51/36/1017865136.db2.gz XEICDFDYQROBLJ-PWSUYJOCSA-N -1 0 310.306 -0.163 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C1(CO)CCOCC1)[C@@H]1CCOC1 ZINC001601648222 1017865190 /nfs/dbraw/zinc/86/51/90/1017865190.db2.gz YLOGMFURAWJNDL-GHMZBOCLSA-N -1 0 301.339 -0.371 20 0 DBADRM O=C([O-])[C@@H](CNS(=O)(=O)Cc1ccno1)[C@H]1CCOC1 ZINC001601651258 1017865629 /nfs/dbraw/zinc/86/56/29/1017865629.db2.gz KOWHUMRSPDOYIQ-WPRPVWTQSA-N -1 0 304.324 -0.169 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001601650070 1017865769 /nfs/dbraw/zinc/86/57/69/1017865769.db2.gz OMVXPMHLMPDAGL-PBXRRBTRSA-N -1 0 321.248 -0.252 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001601650209 1017865781 /nfs/dbraw/zinc/86/57/81/1017865781.db2.gz OMVXPMHLMPDAGL-ZLUOBGJFSA-N -1 0 321.248 -0.252 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)N2CC(CC3CC3)C2)CC1 ZINC001601681901 1017866087 /nfs/dbraw/zinc/86/60/87/1017866087.db2.gz VECGBRJKPVRCFG-CYBMUJFWSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCCN(C2CC2)C1=O ZINC001601662787 1017866379 /nfs/dbraw/zinc/86/63/79/1017866379.db2.gz KRPNHBDKUZUQII-NWDGAFQWSA-N -1 0 320.349 -0.147 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@@H]1CSCCS1 ZINC001601663003 1017866565 /nfs/dbraw/zinc/86/65/65/1017866565.db2.gz MUPXQVCXXUXKQV-SFYZADRCSA-N -1 0 302.381 -0.304 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)CNC(=O)N2CCCC2)CC1 ZINC001601681048 1017866862 /nfs/dbraw/zinc/86/68/62/1017866862.db2.gz AOXBBIAAWCOWLR-LBPRGKRZSA-N -1 0 313.354 -0.524 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)c2ccc3n[nH]c(=O)n3c2)CC1 ZINC001601681734 1017866909 /nfs/dbraw/zinc/86/69/09/1017866909.db2.gz CTDUDTQHXXGBLK-LLVKDONJSA-N -1 0 320.305 -0.267 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)CC1 ZINC001601682463 1017867165 /nfs/dbraw/zinc/86/71/65/1017867165.db2.gz HTWHEGSVWUYCSH-JTQLQIEISA-N -1 0 320.305 -0.039 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C[C@H]2C=CS(=O)(=O)C2)CC1 ZINC001601683577 1017867204 /nfs/dbraw/zinc/86/72/04/1017867204.db2.gz QRCGCBVVHOOVQV-SKDRFNHKSA-N -1 0 317.363 -0.381 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC001601683758 1017867223 /nfs/dbraw/zinc/86/72/23/1017867223.db2.gz SSNSLHPDEVQSIX-SNVBAGLBSA-N -1 0 320.305 -0.039 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)CCCN2CCOCC2)CC1 ZINC001601711066 1017867442 /nfs/dbraw/zinc/86/74/42/1017867442.db2.gz KMTQUITVIPVCSD-UHFFFAOYSA-N -1 0 306.384 -0.507 20 0 DBADRM O=C([O-])[C@@]1(CNS(=O)(=O)CC[C@H]2CCOC2)CCOC1 ZINC001601710804 1017867779 /nfs/dbraw/zinc/86/77/79/1017867779.db2.gz HMROHVSXRTUBHG-ZYHUDNBSSA-N -1 0 307.368 -0.176 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)C2(n3cnnn3)CCCCC2)CCOC1 ZINC001601709470 1017867937 /nfs/dbraw/zinc/86/79/37/1017867937.db2.gz ZJGJMMIEDDRTRH-CYBMUJFWSA-N -1 0 323.353 -0.060 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCc3nc[nH]c(=O)c3C2)CC1 ZINC001601713518 1017868341 /nfs/dbraw/zinc/86/83/41/1017868341.db2.gz TUXWWKGXALUJSV-UHFFFAOYSA-N -1 0 313.335 -0.265 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@H](O)[C@H]2CCCO2)CCC1 ZINC001601712164 1017868519 /nfs/dbraw/zinc/86/85/19/1017868519.db2.gz CBDLYSCWTAMYQG-VHSXEESVSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)CCC1 ZINC001601713765 1017868652 /nfs/dbraw/zinc/86/86/52/1017868652.db2.gz YSCJGHOIISGITB-VXAXSWHGSA-N -1 0 307.393 -0.224 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@H](CO)[C@H]2CCOC2)CC1 ZINC001601713920 1017868811 /nfs/dbraw/zinc/86/88/11/1017868811.db2.gz SARKRGWVALNBKD-VHSXEESVSA-N -1 0 307.368 -0.584 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCCS(=O)(=O)CC2)CC1 ZINC001601713012 1017869059 /nfs/dbraw/zinc/86/90/59/1017869059.db2.gz UPBSRHDWWNQLNX-UHFFFAOYSA-N -1 0 311.381 -0.699 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)CCC1 ZINC001601713764 1017869140 /nfs/dbraw/zinc/86/91/40/1017869140.db2.gz YSCJGHOIISGITB-ZMFHDSSTSA-N -1 0 307.393 -0.224 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCc2nc3ncccn3n2)CC1 ZINC001601714037 1017869150 /nfs/dbraw/zinc/86/91/50/1017869150.db2.gz BLXDWTHXOHRFMA-UHFFFAOYSA-N -1 0 311.323 -0.592 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCc2nnc3n2CCC3)CCC1 ZINC001601715915 1017869264 /nfs/dbraw/zinc/86/92/64/1017869264.db2.gz HSVRVNADRZDDLK-UHFFFAOYSA-N -1 0 314.367 -0.101 20 0 DBADRM O=C([O-])[C@]1(N2CCN(S(=O)(=O)CC3CC3)CC2)CCOC1 ZINC001601719932 1017869302 /nfs/dbraw/zinc/86/93/02/1017869302.db2.gz PHFFLLWBLSLLPW-ZDUSSCGKSA-N -1 0 318.395 -0.413 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCCOC[C@@H]2CCOC2)CCC1 ZINC001601725255 1017869568 /nfs/dbraw/zinc/86/95/68/1017869568.db2.gz QKWNMTYGLKPTRD-SNVBAGLBSA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])C1(O)CCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC001601723332 1017869747 /nfs/dbraw/zinc/86/97/47/1017869747.db2.gz HWBWTBZBOICIQR-UHFFFAOYSA-N -1 0 307.368 -0.346 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CC[C@H](Cn3ccnn3)C2)CCC1 ZINC001601725596 1017869765 /nfs/dbraw/zinc/86/97/65/1017869765.db2.gz XMJKPSYZDIGDCY-SNVBAGLBSA-N -1 0 314.367 -0.063 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)C[C@H]2CCCOC2)CC(CO)C1 ZINC001601721989 1017869805 /nfs/dbraw/zinc/86/98/05/1017869805.db2.gz ZGGUBDQVHKXSJI-BMQDGWLCSA-N -1 0 307.368 -0.442 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)CCn2ccnc2)CCSC1 ZINC001601722121 1017869825 /nfs/dbraw/zinc/86/98/25/1017869825.db2.gz WLUYYNJOVIKURT-JTQLQIEISA-N -1 0 305.381 -0.237 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NC[C@@]2(OCCO)CCOC2)CCC1 ZINC001601725723 1017870054 /nfs/dbraw/zinc/87/00/54/1017870054.db2.gz WFLBXHVTDNESSI-NSHDSACASA-N -1 0 323.367 -0.919 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)N2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC001601726243 1017870554 /nfs/dbraw/zinc/87/05/54/1017870554.db2.gz IXGLDBOQKBRXOT-QWRGUYRKSA-N -1 0 318.395 -0.125 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@@]2(O)CCc3ccccc3C2)C1 ZINC001601722808 1017870588 /nfs/dbraw/zinc/87/05/88/1017870588.db2.gz XJZZZHXVAUHJAH-HZPDHXFCSA-N -1 0 305.330 -0.046 20 0 DBADRM O=C([O-])C12CC(C(=O)N3CCO[C@H](Cn4ccnn4)C3)(C1)C2 ZINC001601728580 1017870901 /nfs/dbraw/zinc/87/09/01/1017870901.db2.gz ZTVGHJDEMIDEID-FNBIGBAISA-N -1 0 306.322 -0.240 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)C1 ZINC001601736814 1017871018 /nfs/dbraw/zinc/87/10/18/1017871018.db2.gz KMVLEZRZLXSXQH-IUCAKERBSA-N -1 0 318.276 -0.496 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)C(=O)NC[C@@H]3C=CCC3)C2)C1 ZINC001601738588 1017871258 /nfs/dbraw/zinc/87/12/58/1017871258.db2.gz FLFICEPHFWHBBV-MEBBXXQBSA-N -1 0 321.333 -0.099 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3COC[C@@H]32)C1 ZINC001601737700 1017871375 /nfs/dbraw/zinc/87/13/75/1017871375.db2.gz UCFCZEGAYKGKJK-WOPDTQHZSA-N -1 0 308.334 -0.087 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CCN(CC3CC3)CC2)C1 ZINC001601737651 1017871406 /nfs/dbraw/zinc/87/14/06/1017871406.db2.gz SRCWNWQRPTZZEV-CYBMUJFWSA-N -1 0 321.377 -0.170 20 0 DBADRM O=C([O-])C12CCC(C(=O)N3CC4(C3)C[C@H](O)CNC4=O)(CC1)C2 ZINC001601730546 1017871472 /nfs/dbraw/zinc/87/14/72/1017871472.db2.gz HIDAYRWUBFCBGC-ISAOAKOHSA-N -1 0 322.361 -0.269 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)CN1CCC(CO)CC1 ZINC001601751571 1017871809 /nfs/dbraw/zinc/87/18/09/1017871809.db2.gz MKCNFFRSFHHXNY-YPMHNXCESA-N -1 0 300.355 -0.873 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)c3ccc4n[nH]nc4n3)C2)C1 ZINC001601742389 1017871940 /nfs/dbraw/zinc/87/19/40/1017871940.db2.gz HEIIKUAOLFQHOI-ZDUSSCGKSA-N -1 0 316.277 -0.202 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)C1CN(CC(F)(F)F)C1 ZINC001601749934 1017871977 /nfs/dbraw/zinc/87/19/77/1017871977.db2.gz GEVVRKHXWXDEOC-BDAKNGLRSA-N -1 0 310.272 -0.083 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1S(=O)(=O)CC1CCOCC1 ZINC001601753575 1017872086 /nfs/dbraw/zinc/87/20/86/1017872086.db2.gz MDNWUVZLQXWRRY-GHMZBOCLSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1S(=O)(=O)CCOCC1CC1 ZINC001601751643 1017872164 /nfs/dbraw/zinc/87/21/64/1017872164.db2.gz IBCVWUKOJXRAKF-GHMZBOCLSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)Cc1nc2ncccn2n1 ZINC001601749978 1017872256 /nfs/dbraw/zinc/87/22/56/1017872256.db2.gz GKAXISBUYKVIND-KWQFWETISA-N -1 0 305.294 -0.897 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)c3ccnc4n[nH]nc43)C2)C1 ZINC001601745873 1017872296 /nfs/dbraw/zinc/87/22/96/1017872296.db2.gz ZQKFNTQKXQQRER-CYBMUJFWSA-N -1 0 316.277 -0.202 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)[C@@H]3CCCn4ncnc43)C2)C1 ZINC001601739959 1017872340 /nfs/dbraw/zinc/87/23/40/1017872340.db2.gz RNZAVVFUNNWWAO-YMTOWFKASA-N -1 0 319.321 -0.013 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)C1CN(CC(F)(F)F)C1 ZINC001601749938 1017872504 /nfs/dbraw/zinc/87/25/04/1017872504.db2.gz GEVVRKHXWXDEOC-RKDXNWHRSA-N -1 0 310.272 -0.083 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1S(=O)(=O)CC1CCOCC1 ZINC001601753577 1017872556 /nfs/dbraw/zinc/87/25/56/1017872556.db2.gz MDNWUVZLQXWRRY-QWRGUYRKSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)CN1CCC(CO)CC1 ZINC001601751567 1017872742 /nfs/dbraw/zinc/87/27/42/1017872742.db2.gz MKCNFFRSFHHXNY-DGCLKSJQSA-N -1 0 300.355 -0.873 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CCN(c3cccnn3)CC2)C1 ZINC001601759315 1017873217 /nfs/dbraw/zinc/87/32/17/1017873217.db2.gz MVBISFXWBRKRDL-NSHDSACASA-N -1 0 305.338 -0.511 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC001601757088 1017873765 /nfs/dbraw/zinc/87/37/65/1017873765.db2.gz ZSAQOPNPVPHXNV-FOGDFJRCSA-N -1 0 321.333 -0.362 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1cn(C2CCOCC2)nn1 ZINC001601757878 1017874003 /nfs/dbraw/zinc/87/40/03/1017874003.db2.gz JEYHCONPIFLQPR-RYUDHWBXSA-N -1 0 324.337 -0.320 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCCCO[C@H]2CCOC2)C1 ZINC001601763248 1017874264 /nfs/dbraw/zinc/87/42/64/1017874264.db2.gz OTCOBLMAXPAROI-UTUOFQBUSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)N2CC(C3CCCC3)C2)C1 ZINC001601760248 1017874381 /nfs/dbraw/zinc/87/43/81/1017874381.db2.gz IWCABTRRUFKCAM-AAEUAGOBSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC(F)CC2)C1 ZINC001601760412 1017874511 /nfs/dbraw/zinc/87/45/11/1017874511.db2.gz LMDKZGUDLXVDDZ-WPRPVWTQSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCCC[C@H]2CCOC2=O)C1 ZINC001601764380 1017874592 /nfs/dbraw/zinc/87/45/92/1017874592.db2.gz STWAKNJIWFWLAU-AXFHLTTASA-N -1 0 314.338 -0.193 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2ccc3c(n2)OCCO3)C1 ZINC001601763566 1017874687 /nfs/dbraw/zinc/87/46/87/1017874687.db2.gz IZFKCKDUKXMAOT-IUCAKERBSA-N -1 0 308.290 -0.240 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCCS(=O)(=O)C2CC2)C1 ZINC001601764821 1017874698 /nfs/dbraw/zinc/87/46/98/1017874698.db2.gz UYZTUBVOGJXMKY-BDAKNGLRSA-N -1 0 320.367 -0.959 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC(C3CCCC3)C2)C1 ZINC001601760252 1017874740 /nfs/dbraw/zinc/87/47/40/1017874740.db2.gz IWCABTRRUFKCAM-YPMHNXCESA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001601761928 1017874755 /nfs/dbraw/zinc/87/47/55/1017874755.db2.gz AXAHSYTWVXZQNL-IUCAKERBSA-N -1 0 318.293 -0.831 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)N[C@@H]2CCC3(C2)OCCO3)C1 ZINC001601762854 1017875091 /nfs/dbraw/zinc/87/50/91/1017875091.db2.gz NCYBTBMKZDZYKS-GMTAPVOTSA-N -1 0 314.338 -0.241 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2CC(c3ccccn3)=NO2)C1 ZINC001601766768 1017875386 /nfs/dbraw/zinc/87/53/86/1017875386.db2.gz OZKNZOLOQAIGPV-NRUUGDAUSA-N -1 0 319.317 -0.131 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001601765338 1017875651 /nfs/dbraw/zinc/87/56/51/1017875651.db2.gz KKLSHBKMXYUFPT-PSASIEDQSA-N -1 0 317.363 -0.895 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]3C2)C1 ZINC001601768904 1017876141 /nfs/dbraw/zinc/87/61/41/1017876141.db2.gz XLYXSCJIMUIBFK-WRWGMCAJSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C2CN(CC(F)(F)F)C2)C1 ZINC001601765710 1017876358 /nfs/dbraw/zinc/87/63/58/1017876358.db2.gz MNFXBOLBUPMTDN-APPZFPTMSA-N -1 0 310.272 -0.226 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCO)CCNCc1nccs1 ZINC001601776107 1017876769 /nfs/dbraw/zinc/87/67/69/1017876769.db2.gz SNJJUCMLJRVGRJ-NXEZZACHSA-N -1 0 313.379 -0.226 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(Cc2nnn(CC(F)(F)F)n2)C1 ZINC001601770588 1017876910 /nfs/dbraw/zinc/87/69/10/1017876910.db2.gz XTISIXWFUMVDMU-RQJHMYQMSA-N -1 0 309.248 -0.497 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC1=NS(=O)(=O)c2ccccc21 ZINC001601774363 1017876968 /nfs/dbraw/zinc/87/69/68/1017876968.db2.gz XOHITZPGHWCLFW-KCJUWKMLSA-N -1 0 310.331 -0.302 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001601776062 1017877176 /nfs/dbraw/zinc/87/71/76/1017877176.db2.gz RRPRVRFWTAJZOP-KKJSVHSVSA-N -1 0 308.334 -0.826 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(Cc2cn(C[C@@H]3CCCO3)nn2)C1 ZINC001601770276 1017877230 /nfs/dbraw/zinc/87/72/30/1017877230.db2.gz WAIUMZNTVXNAHM-RTXFEEFZSA-N -1 0 310.354 -0.276 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N(CCO)CCNCc1cscn1 ZINC001601775312 1017877487 /nfs/dbraw/zinc/87/74/87/1017877487.db2.gz APULDHWIBSXNEY-MNOVXSKESA-N -1 0 313.379 -0.226 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001601777145 1017878209 /nfs/dbraw/zinc/87/82/09/1017878209.db2.gz GDRCJHUABSMTLB-GHMZBOCLSA-N -1 0 306.322 -0.656 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001601776575 1017878262 /nfs/dbraw/zinc/87/82/62/1017878262.db2.gz BBVBRXSMADHXMG-BDAKNGLRSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001601777501 1017878913 /nfs/dbraw/zinc/87/89/13/1017878913.db2.gz HUJREIPRGWVSNM-RYUDHWBXSA-N -1 0 320.349 -0.266 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(O)CN(CC2CC(F)(F)C2)C1 ZINC001601777392 1017879450 /nfs/dbraw/zinc/87/94/50/1017879450.db2.gz FIVWHADGNBACGH-UWVGGRQHSA-N -1 0 318.320 -0.085 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2csnn2)C1 ZINC001601777755 1017879507 /nfs/dbraw/zinc/87/95/07/1017879507.db2.gz FLMUYYKWZYWXMZ-HTQZYQBOSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)CCc2ccncn2)C1 ZINC001601777451 1017879536 /nfs/dbraw/zinc/87/95/36/1017879536.db2.gz FOFQLTBQZTUMOB-RYUDHWBXSA-N -1 0 318.333 -0.543 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2nnnn2C2CC2)CC1 ZINC001601777253 1017879702 /nfs/dbraw/zinc/87/97/02/1017879702.db2.gz HAEGVRGHBBSEGW-WDEREUQCSA-N -1 0 320.353 -0.627 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN1CCN(C(=O)CC2CC2)CC1 ZINC001601777425 1017879750 /nfs/dbraw/zinc/87/97/50/1017879750.db2.gz DEEGNBOOXCWTMI-CHWSQXEVSA-N -1 0 323.393 -0.232 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCn2cncn2)CC1 ZINC001601777510 1017879765 /nfs/dbraw/zinc/87/97/65/1017879765.db2.gz IBIJUUXDDKLACX-WDEREUQCSA-N -1 0 321.337 -0.940 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(O)CN(CC2CC(F)(F)C2)C1 ZINC001601777396 1017879816 /nfs/dbraw/zinc/87/98/16/1017879816.db2.gz FIVWHADGNBACGH-ZJUUUORDSA-N -1 0 318.320 -0.085 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccnnc2)CC1 ZINC001601779673 1017880250 /nfs/dbraw/zinc/88/02/50/1017880250.db2.gz QDSNIPRNTFTDFQ-QWRGUYRKSA-N -1 0 304.306 -0.518 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(F)ncn3)C[C@H]21 ZINC001601779018 1017880486 /nfs/dbraw/zinc/88/04/86/1017880486.db2.gz GGEOBROGXOWTID-YOESCMDLSA-N -1 0 306.297 -0.113 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001601779611 1017880714 /nfs/dbraw/zinc/88/07/14/1017880714.db2.gz PFFQGEGUEVCLRP-GHMZBOCLSA-N -1 0 319.317 -0.208 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNCc1nc(CC2CC2)no1 ZINC001601781299 1017881180 /nfs/dbraw/zinc/88/11/80/1017881180.db2.gz OVKMBNUUJMDOAV-NXEZZACHSA-N -1 0 308.338 -0.051 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)Cc2cc[nH]n2)C1 ZINC001601780734 1017881601 /nfs/dbraw/zinc/88/16/01/1017881601.db2.gz MPTAZGZXXDDEIW-WDEREUQCSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)C=C2CCC2)C1 ZINC001601780162 1017881975 /nfs/dbraw/zinc/88/19/75/1017881975.db2.gz RGICIFWNHHQUQC-VXGBXAGGSA-N -1 0 322.361 -0.103 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3ccon3)C[C@@H]2C1 ZINC001601780669 1017882003 /nfs/dbraw/zinc/88/20/03/1017882003.db2.gz STQJPUPZWBRYIW-YTWAJWBKSA-N -1 0 319.317 -0.074 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NCc2nnnn2C2CC2)C1 ZINC001601782412 1017882371 /nfs/dbraw/zinc/88/23/71/1017882371.db2.gz QBERIPDBIHWOPI-OYBPUVFXSA-N -1 0 320.353 -0.535 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)C2CCCC2)C1 ZINC001601781543 1017882624 /nfs/dbraw/zinc/88/26/24/1017882624.db2.gz SPYZJQBVWOHFLH-QWRGUYRKSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc3nnnn3n2)C1 ZINC001601783397 1017882971 /nfs/dbraw/zinc/88/29/71/1017882971.db2.gz TVJXGFOQXMPBKG-BZNPZCIMSA-N -1 0 317.309 -0.701 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001601782072 1017883016 /nfs/dbraw/zinc/88/30/16/1017883016.db2.gz PRUAHERCEDZKCL-UKXAOYPBSA-N -1 0 308.334 -0.637 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)C2=COCCO2)CC1 ZINC001601781752 1017883138 /nfs/dbraw/zinc/88/31/38/1017883138.db2.gz SXLANGQHLALXTM-MNOVXSKESA-N -1 0 324.333 -0.298 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]2C(=O)N(CCCn3ccnn3)C(=O)N2C1 ZINC001601797294 1017883677 /nfs/dbraw/zinc/88/36/77/1017883677.db2.gz GLWQNZCBNBVQKA-ZJUUUORDSA-N -1 0 307.310 -0.204 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001601784063 1017883753 /nfs/dbraw/zinc/88/37/53/1017883753.db2.gz YCPSZVAFSUZRIH-UWVGGRQHSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2ccc(F)nc2)C1 ZINC001601783963 1017883768 /nfs/dbraw/zinc/88/37/68/1017883768.db2.gz XUIHFNOFTWDVDG-UWVGGRQHSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2c[nH]nc2C2CC2)C1 ZINC001601784483 1017884240 /nfs/dbraw/zinc/88/42/40/1017884240.db2.gz YOWNKHXKXODODW-ZJUUUORDSA-N -1 0 318.333 -0.052 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC001601784037 1017884344 /nfs/dbraw/zinc/88/43/44/1017884344.db2.gz UQUGRQNJQAMYLP-HKLXJQGRSA-N -1 0 315.329 -0.011 20 0 DBADRM O=C([O-])C1CCC2(CC1)NC(=O)N(C1COCCOC1)C2=O ZINC001601798379 1017884382 /nfs/dbraw/zinc/88/43/82/1017884382.db2.gz VBRPWUVRZUPXHN-UHFFFAOYSA-N -1 0 312.322 -0.033 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC[C@H](CCCO)C2)C1=O ZINC001601817122 1017884748 /nfs/dbraw/zinc/88/47/48/1017884748.db2.gz DUPDGTBHRRQRNH-RYUDHWBXSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)NCCn1cncn1 ZINC001601810623 1017884882 /nfs/dbraw/zinc/88/48/82/1017884882.db2.gz MHNOOSWXDBJMPV-NXEZZACHSA-N -1 0 302.356 -0.159 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@H](O)C(F)(F)C2)C1=O ZINC001601817403 1017885334 /nfs/dbraw/zinc/88/53/34/1017885334.db2.gz FFBISVIOSMRMKI-BDAKNGLRSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@@H]([C@H]2CCCO2)C1 ZINC001601820541 1017885976 /nfs/dbraw/zinc/88/59/76/1017885976.db2.gz PPLXZIPFQYFMTP-DDHJBXDOSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H]([C@@H]2CCCO2)C1 ZINC001601820548 1017886139 /nfs/dbraw/zinc/88/61/39/1017886139.db2.gz PPLXZIPFQYFMTP-WYUUTHIRSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC[C@@H](n3cncn3)C2)C1=O ZINC001601819132 1017886292 /nfs/dbraw/zinc/88/62/92/1017886292.db2.gz SXPPEUGDJXVXMX-MNOVXSKESA-N -1 0 321.337 -0.625 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@@H](O)[C@H](F)C2)C1=O ZINC001601817834 1017886523 /nfs/dbraw/zinc/88/65/23/1017886523.db2.gz HPBHAZVRUSBNKQ-OPRDCNLKSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCN(C3CC3)CC2)CC1 ZINC001601820813 1017886636 /nfs/dbraw/zinc/88/66/36/1017886636.db2.gz SNVQFKWCRSNNMS-UHFFFAOYSA-N -1 0 309.366 -0.384 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CC[C@H](O)[C@@H](F)C2)CC1 ZINC001601829674 1017886977 /nfs/dbraw/zinc/88/69/77/1017886977.db2.gz CPTPATYQTNNIMT-UWVGGRQHSA-N -1 0 310.347 -0.568 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CC[C@H](O)[C@H](F)C2)CC1 ZINC001601829678 1017887544 /nfs/dbraw/zinc/88/75/44/1017887544.db2.gz CPTPATYQTNNIMT-ZJUUUORDSA-N -1 0 310.347 -0.568 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N(CCO[C@H]3CCOC3)C(=O)[C@@H]2C1 ZINC001601838979 1017887625 /nfs/dbraw/zinc/88/76/25/1017887625.db2.gz AVUAKUNNVNEUMO-VWYCJHECSA-N -1 0 312.322 -0.081 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCN(CC(F)F)C2)CCO1 ZINC001601843987 1017887916 /nfs/dbraw/zinc/88/79/16/1017887916.db2.gz AQDPUIAZSJEINM-BDAKNGLRSA-N -1 0 307.297 -0.179 20 0 DBADRM O=C([O-])[C@H]1CN(CC(=O)N2CCNC2=O)c2ccccc2O1 ZINC001601850120 1017888556 /nfs/dbraw/zinc/88/85/56/1017888556.db2.gz ADWKYRZTHUSTJB-LLVKDONJSA-N -1 0 305.290 -0.110 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2C(=O)CN(C3CCCC3)C2=O)CCO1 ZINC001601848520 1017888789 /nfs/dbraw/zinc/88/87/89/1017888789.db2.gz TVUZJYNVZSASQO-NSHDSACASA-N -1 0 311.338 -0.064 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCOC23CCOCC3)CCO1 ZINC001601844244 1017888888 /nfs/dbraw/zinc/88/88/88/1017888888.db2.gz ROFJVQDJBLDHRM-WDEREUQCSA-N -1 0 314.338 -0.181 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1ccccn1 ZINC001601854070 1017889149 /nfs/dbraw/zinc/88/91/49/1017889149.db2.gz NFOLRTZEPZPEOS-NSHDSACASA-N -1 0 312.347 -0.276 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C[C@@H]1CCCOC1 ZINC001601853737 1017889208 /nfs/dbraw/zinc/88/92/08/1017889208.db2.gz MROUTQIMQHHHBS-VHSXEESVSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCCCS1 ZINC001601853766 1017889332 /nfs/dbraw/zinc/88/93/32/1017889332.db2.gz QOHFRAACTKMWJZ-DTWKUNHWSA-N -1 0 307.393 -0.018 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001601851955 1017889405 /nfs/dbraw/zinc/88/94/05/1017889405.db2.gz HNCPLXQLLKENJM-VIFPVBQESA-N -1 0 303.336 -0.877 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(F)cn1 ZINC001601853955 1017889454 /nfs/dbraw/zinc/88/94/54/1017889454.db2.gz HUASYSCRNGBUJW-JTQLQIEISA-N -1 0 316.310 -0.527 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)C1CC2(CSC2)C1 ZINC001601853668 1017889543 /nfs/dbraw/zinc/88/95/43/1017889543.db2.gz HJHKRQJIEYKPRI-VIFPVBQESA-N -1 0 319.404 -0.160 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCOCC(F)F ZINC001601854127 1017889704 /nfs/dbraw/zinc/88/97/04/1017889704.db2.gz PVKAPNAQKZHGLG-SSDOTTSWSA-N -1 0 315.294 -0.632 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001601853927 1017889719 /nfs/dbraw/zinc/88/97/19/1017889719.db2.gz FVHRIKFATKBTOY-MRVPVSSYSA-N -1 0 321.742 -0.753 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001601890589 1017891134 /nfs/dbraw/zinc/89/11/34/1017891134.db2.gz HQOSHMKNVUMOLC-SSLNLQFTSA-N -1 0 322.361 -0.105 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC001601908147 1017891458 /nfs/dbraw/zinc/89/14/58/1017891458.db2.gz ATDYPNMCEMCDOK-RXMQYKEDSA-N -1 0 320.223 -0.006 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC001601908366 1017891771 /nfs/dbraw/zinc/89/17/71/1017891771.db2.gz DJTAEHMKIKTSQS-ZCFIWIBFSA-N -1 0 320.223 -0.006 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC001601908919 1017892097 /nfs/dbraw/zinc/89/20/97/1017892097.db2.gz LKWSMJXAKUGGKD-SECBINFHSA-N -1 0 321.289 -0.929 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC001601909450 1017892297 /nfs/dbraw/zinc/89/22/97/1017892297.db2.gz RBCXDUQPDYJQAE-ZJUUUORDSA-N -1 0 310.306 -0.420 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC001601910108 1017892382 /nfs/dbraw/zinc/89/23/82/1017892382.db2.gz YELDOGUKKGPIJI-IAQYHMDHSA-N -1 0 306.318 -0.604 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC001601910109 1017892748 /nfs/dbraw/zinc/89/27/48/1017892748.db2.gz YELDOGUKKGPIJI-NHYWBVRUSA-N -1 0 306.318 -0.604 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1ccc(Cl)cn1 ZINC001601908934 1017892795 /nfs/dbraw/zinc/89/27/95/1017892795.db2.gz MCOUTQUBRHSONS-ZETCQYMHSA-N -1 0 301.686 -0.375 20 0 DBADRM O=C([O-])CC1(NC(=O)C(=O)Nc2nc3n(n2)CCCC3)CC1 ZINC001601924630 1017893300 /nfs/dbraw/zinc/89/33/00/1017893300.db2.gz BCVBESNKPRAESV-UHFFFAOYSA-N -1 0 307.310 -0.324 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)C[C@H]2CCCS2(=O)=O)CCOC1 ZINC001601925516 1017893391 /nfs/dbraw/zinc/89/33/91/1017893391.db2.gz SIFVUPVBDNGUED-SKDRFNHKSA-N -1 0 305.352 -0.296 20 0 DBADRM O=C([O-])CC1(NC(=O)C2CSC2)CCS(=O)(=O)CC1 ZINC001601926255 1017893415 /nfs/dbraw/zinc/89/34/15/1017893415.db2.gz GPXXQGGMGQJUJF-UHFFFAOYSA-N -1 0 307.393 -0.112 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CCn3ncnc3C2)CC1 ZINC001601921780 1017893597 /nfs/dbraw/zinc/89/35/97/1017893597.db2.gz LFKVPFMDLRSBBE-UHFFFAOYSA-N -1 0 300.340 -0.322 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@@H]2CCCOC2)CCS(=O)(=O)CC1 ZINC001601926054 1017893659 /nfs/dbraw/zinc/89/36/59/1017893659.db2.gz ZNSMTOWUYSOUNN-SNVBAGLBSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])CC1(CC(=O)N2CC3(C2)NC(=O)NC3=O)CCCC1 ZINC001601915505 1017893785 /nfs/dbraw/zinc/89/37/85/1017893785.db2.gz YKSWPXKXIIFAMX-UHFFFAOYSA-N -1 0 309.322 -0.168 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)C[C@@H]2CCS(=O)(=O)C2)CCCOC1 ZINC001601925068 1017893857 /nfs/dbraw/zinc/89/38/57/1017893857.db2.gz BOFXQVWDMZDKHF-GXFFZTMASA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)C2=CS(=O)(=O)CCC2)CCOC1 ZINC001601925607 1017893936 /nfs/dbraw/zinc/89/39/36/1017893936.db2.gz OKVDUYWISKEONB-LBPRGKRZSA-N -1 0 303.336 -0.171 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)CNC(=O)c2cccnc2)CCOC1 ZINC001601927161 1017894094 /nfs/dbraw/zinc/89/40/94/1017894094.db2.gz WZTFRWKZOLSJPM-AWEZNQCLSA-N -1 0 307.306 -0.439 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)Cn2ccc(=O)[nH]c2=O)CCCOC1 ZINC001601927930 1017894202 /nfs/dbraw/zinc/89/42/02/1017894202.db2.gz QYAWOHVAFVOJHV-ZDUSSCGKSA-N -1 0 311.294 -0.911 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)CN2CCCCS2(=O)=O)CCOC1 ZINC001601927189 1017894293 /nfs/dbraw/zinc/89/42/93/1017894293.db2.gz ZVGRTWLTPCIGPZ-GFCCVEGCSA-N -1 0 320.367 -0.838 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1Cc1ccc2c(c1)NC(=O)CO2 ZINC001601939924 1017894655 /nfs/dbraw/zinc/89/46/55/1017894655.db2.gz PYOSYCLRNGMNLS-NSHDSACASA-N -1 0 319.317 -0.207 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCc2cncn2C1 ZINC001601938569 1017895054 /nfs/dbraw/zinc/89/50/54/1017895054.db2.gz AMPGGYORMSBWSY-ONGXEEELSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)C1 ZINC001601940362 1017895340 /nfs/dbraw/zinc/89/53/40/1017895340.db2.gz GVXUNILKOKALCF-BMJFEDMMSA-N -1 0 322.361 -0.105 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C1 ZINC001601940372 1017895483 /nfs/dbraw/zinc/89/54/83/1017895483.db2.gz GVXUNILKOKALCF-WFMQAKJHSA-N -1 0 322.361 -0.105 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccn(C(F)F)n1 ZINC001601939256 1017895522 /nfs/dbraw/zinc/89/55/22/1017895522.db2.gz ACTZXMINXSWENA-SSDOTTSWSA-N -1 0 302.237 -0.307 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cc1cn2c(n1)CCCC2 ZINC001601938608 1017895630 /nfs/dbraw/zinc/89/56/30/1017895630.db2.gz BTJNGWISAFOZBS-LLVKDONJSA-N -1 0 320.349 -0.436 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2CC[C@@H](CCCO)C2)C1 ZINC001601941847 1017896024 /nfs/dbraw/zinc/89/60/24/1017896024.db2.gz UWNDNFOUJFVDKL-VOMCLLRMSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccc(CO)c(F)c1 ZINC001601940905 1017896056 /nfs/dbraw/zinc/89/60/56/1017896056.db2.gz KBPKURKBQVGWPX-LLVKDONJSA-N -1 0 310.281 -0.267 20 0 DBADRM O=C([O-])CC1CC(NC(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001601943237 1017896091 /nfs/dbraw/zinc/89/60/91/1017896091.db2.gz DAQFFRMLIUOGMZ-UHFFFAOYSA-N -1 0 320.309 -0.530 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cccc2[nH]ncc21 ZINC001601943171 1017896100 /nfs/dbraw/zinc/89/61/00/1017896100.db2.gz ZRZRVIRKSMFIDJ-LLVKDONJSA-N -1 0 302.290 -0.022 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2CCC[C@@H]3COC[C@@H]32)C1 ZINC001601940827 1017896221 /nfs/dbraw/zinc/89/62/21/1017896221.db2.gz IGWDGUCTHFYPHZ-RSJDFQLWSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cc1[nH]nc2c1CCCC2 ZINC001601941318 1017896230 /nfs/dbraw/zinc/89/62/30/1017896230.db2.gz XQLSMICPKYRFNC-GFCCVEGCSA-N -1 0 320.349 -0.367 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ncc2n1CCCC2 ZINC001601941379 1017896436 /nfs/dbraw/zinc/89/64/36/1017896436.db2.gz ZQAXWMWMZPXOHA-SNVBAGLBSA-N -1 0 306.322 -0.365 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1n[nH]c2c1CCCC2 ZINC001601940863 1017896819 /nfs/dbraw/zinc/89/68/19/1017896819.db2.gz JXQPHNHWZQPPRR-SNVBAGLBSA-N -1 0 306.322 -0.296 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CCC[C@H]32)CCO1 ZINC001601957340 1017897109 /nfs/dbraw/zinc/89/71/09/1017897109.db2.gz CPURMCSIGIVTGD-DDHJBXDOSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001601951767 1017897249 /nfs/dbraw/zinc/89/72/49/1017897249.db2.gz JRXJAVLAPKHKFE-PWSUYJOCSA-N -1 0 309.366 -0.195 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC001601951837 1017897556 /nfs/dbraw/zinc/89/75/56/1017897556.db2.gz LILONCWZPPLEIH-GHMZBOCLSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CC3)C2)CCO1 ZINC001601959427 1017898337 /nfs/dbraw/zinc/89/83/37/1017898337.db2.gz WIUIDAWPUOJUGP-NEPJUHHUSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)N[C@H]2CCc3nnnn3CC2)CCO1 ZINC001601960756 1017898449 /nfs/dbraw/zinc/89/84/49/1017898449.db2.gz XFYFBPFEWUDKMP-UWVGGRQHSA-N -1 0 324.341 -0.737 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001498984248 1017898862 /nfs/dbraw/zinc/89/88/62/1017898862.db2.gz MHJSGTOVPGDDGZ-BDAKNGLRSA-N -1 0 310.358 -0.885 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc[n+]([O-])c1 ZINC001601964982 1017899190 /nfs/dbraw/zinc/89/91/90/1017899190.db2.gz YEXWYSFZUPCOMF-SNVBAGLBSA-N -1 0 314.319 -0.966 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001601964533 1017899440 /nfs/dbraw/zinc/89/94/40/1017899440.db2.gz BYSOJSIESOKRFX-ZJUUUORDSA-N -1 0 309.326 -0.672 20 0 DBADRM O=C([O-])C[C@H]1CN(c2nnnn2C[C@H]2CCCCO2)CCO1 ZINC001601966022 1017899454 /nfs/dbraw/zinc/89/94/54/1017899454.db2.gz MRDKVFOXVAVXQX-MNOVXSKESA-N -1 0 311.342 -0.078 20 0 DBADRM O=C([O-])C[C@H]1COCCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2 ZINC001601965393 1017899586 /nfs/dbraw/zinc/89/95/86/1017899586.db2.gz OLRFXTMPVGUWBH-MMWGEVLESA-N -1 0 305.352 -0.188 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1CC1(O)CCSCC1 ZINC001601967505 1017899744 /nfs/dbraw/zinc/89/97/44/1017899744.db2.gz FQGMXEMMYZUZQV-JTQLQIEISA-N -1 0 323.436 -0.182 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC001601987313 1017900238 /nfs/dbraw/zinc/90/02/38/1017900238.db2.gz BOSUYAROOCZQHC-VIFPVBQESA-N -1 0 320.367 -0.949 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1CCN2CCOC[C@@H]2C1 ZINC001601986544 1017900981 /nfs/dbraw/zinc/90/09/81/1017900981.db2.gz QQZWMEMHNHBYOT-LBPRGKRZSA-N -1 0 320.411 -0.022 20 0 DBADRM O=C([O-])CC[C@H]1CCCN(S(=O)(=O)[C@@H]2COC[C@H]2O)C1 ZINC001601977307 1017902042 /nfs/dbraw/zinc/90/20/42/1017902042.db2.gz KVOBMOHTFFEPGZ-GMTAPVOTSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1CC2(C1)CNC(=O)O2 ZINC001601987027 1017903053 /nfs/dbraw/zinc/90/30/53/1017903053.db2.gz OEQZXHJNHYMNJG-UHFFFAOYSA-N -1 0 306.340 -0.245 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1csc(=O)[nH]1 ZINC001601968695 1017903720 /nfs/dbraw/zinc/90/37/20/1017903720.db2.gz SHWMKKVNYWNUGW-LURJTMIESA-N -1 0 320.348 -0.437 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC[C@@H](N2CCCC2=O)C1 ZINC001601998538 1017906150 /nfs/dbraw/zinc/90/61/50/1017906150.db2.gz MTNAOEQDBDBRJW-SNVBAGLBSA-N -1 0 304.368 -0.122 20 0 DBADRM O=C([O-])CCCNC(=O)CNS(=O)(=O)c1cccnc1 ZINC001601991564 1017906427 /nfs/dbraw/zinc/90/64/27/1017906427.db2.gz HAKCPRQWOQSSLN-UHFFFAOYSA-N -1 0 301.324 -0.659 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCc2n[nH]c(=O)cc2C1 ZINC001601999038 1017906537 /nfs/dbraw/zinc/90/65/37/1017906537.db2.gz QQTNQBKHKXWHTO-UHFFFAOYSA-N -1 0 301.324 -0.265 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC001601999427 1017906995 /nfs/dbraw/zinc/90/69/95/1017906995.db2.gz CSBYRABEOYQWHH-JTQLQIEISA-N -1 0 323.367 -0.307 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)C1=CCS(=O)(=O)C1 ZINC001602005763 1017908588 /nfs/dbraw/zinc/90/85/88/1017908588.db2.gz LNEFAHUUQHRYMT-LLVKDONJSA-N -1 0 317.363 -0.177 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)S(=O)(=O)[C@@H]1COC[C@H]1O ZINC001602006285 1017908962 /nfs/dbraw/zinc/90/89/62/1017908962.db2.gz PHMWIXJXBDSZHL-HBNTYKKESA-N -1 0 323.367 -0.968 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](N2CCCn3nncc3C2)C1=O ZINC001602010445 1017910021 /nfs/dbraw/zinc/91/00/21/1017910021.db2.gz DJNZQYUGBFEJNS-GFCCVEGCSA-N -1 0 307.354 -0.051 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1ns[nH]c1=O ZINC001602006381 1017910142 /nfs/dbraw/zinc/91/01/42/1017910142.db2.gz VZJWVGJTCMEWSM-ZETCQYMHSA-N -1 0 301.324 -0.073 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)c2cnn3c2OCCC3)C1=O ZINC001602011042 1017910816 /nfs/dbraw/zinc/91/08/16/1017910816.db2.gz KJNBEXAPYNELPL-SNVBAGLBSA-N -1 0 323.305 -0.102 20 0 DBADRM O=C([O-])CCN(Cc1ccncc1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001602008961 1017911076 /nfs/dbraw/zinc/91/10/76/1017911076.db2.gz BZFVZJBUAKWWGJ-JTQLQIEISA-N -1 0 320.305 -0.517 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](N2CCN(c3nc[nH]n3)CC2)C1=O ZINC001602010743 1017911110 /nfs/dbraw/zinc/91/11/10/1017911110.db2.gz GHBQVNDLWAIFDI-LLVKDONJSA-N -1 0 322.369 -0.608 20 0 DBADRM O=C([O-])CCN1CCC[C@H](N2CCn3nnc(CO)c3C2)C1=O ZINC001602011424 1017911324 /nfs/dbraw/zinc/91/13/24/1017911324.db2.gz LAFLCYULOLLSSU-NSHDSACASA-N -1 0 323.353 -0.948 20 0 DBADRM O=C([O-])CCSCCNC(=O)C1=NN(CCO)C(=O)CC1 ZINC001602029023 1017927430 /nfs/dbraw/zinc/92/74/30/1017927430.db2.gz ZOFQKLXFZFRJLJ-UHFFFAOYSA-N -1 0 317.367 -0.719 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CCN(c3ncccn3)CC2)C1=O ZINC001602015032 1017913493 /nfs/dbraw/zinc/91/34/93/1017913493.db2.gz INAPCSYGSMFMLE-GFCCVEGCSA-N -1 0 319.365 -0.326 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)CNC(C)=O ZINC001499011284 1017914473 /nfs/dbraw/zinc/91/44/73/1017914473.db2.gz GEPOMZRDYOHCGI-VIFPVBQESA-N -1 0 311.342 -0.816 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CCO[C@@]3(CCCOC3)C2)C1=O ZINC001602016759 1017914677 /nfs/dbraw/zinc/91/46/77/1017914677.db2.gz PVBCBXWTIYPJLU-WFASDCNBSA-N -1 0 312.366 -0.057 20 0 DBADRM O=C([O-])CCN1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1 ZINC001602014557 1017915618 /nfs/dbraw/zinc/91/56/18/1017915618.db2.gz ZGADFINSRAMKIV-GFCCVEGCSA-N -1 0 320.411 -0.022 20 0 DBADRM O=C([O-])CCN1CCC[C@H](OC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001602014340 1017916077 /nfs/dbraw/zinc/91/60/77/1017916077.db2.gz KIXDYTHAPWRYOF-YUMQZZPRSA-N -1 0 300.267 -0.896 20 0 DBADRM O=C([O-])CCNC(=O)CCN1C(=O)N[C@@H](c2cccnc2)C1=O ZINC001602015651 1017916469 /nfs/dbraw/zinc/91/64/69/1017916469.db2.gz DLPAIRIVLKLEGF-LBPRGKRZSA-N -1 0 320.305 -0.345 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC001602019692 1017918036 /nfs/dbraw/zinc/91/80/36/1017918036.db2.gz NZXQDJAWWDJPIM-MNOVXSKESA-N -1 0 313.354 -0.166 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)[C@H]2CCCS2(=O)=O)C1=O ZINC001602017388 1017918642 /nfs/dbraw/zinc/91/86/42/1017918642.db2.gz XEVLZXXHXOTPCQ-RKDXNWHRSA-N -1 0 319.335 -0.818 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1ccnc2c1CC(=O)N2 ZINC001602017927 1017919073 /nfs/dbraw/zinc/91/90/73/1017919073.db2.gz DVBGWLUOHDNYIF-UHFFFAOYSA-N -1 0 320.305 -0.713 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC001602019693 1017920105 /nfs/dbraw/zinc/92/01/05/1017920105.db2.gz NZXQDJAWWDJPIM-QWRGUYRKSA-N -1 0 313.354 -0.166 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC001602018625 1017920460 /nfs/dbraw/zinc/92/04/60/1017920460.db2.gz DJLFBMRHSYSFTK-AOOOYVTPSA-N -1 0 315.395 -0.028 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)[C@@H]1COc2ccccc2O1 ZINC001602021597 1017921856 /nfs/dbraw/zinc/92/18/56/1017921856.db2.gz MUENAXYCRPVMDX-NSHDSACASA-N -1 0 309.274 -0.040 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCC1(O)CCCC1 ZINC001602020211 1017921930 /nfs/dbraw/zinc/92/19/30/1017921930.db2.gz UNJXJYQEEJWKSP-UHFFFAOYSA-N -1 0 301.343 -0.428 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1cccc2c1NC(=O)CO2 ZINC001602021445 1017922988 /nfs/dbraw/zinc/92/29/88/1017922988.db2.gz HPMKRCRZCVZNOC-UHFFFAOYSA-N -1 0 322.273 -0.235 20 0 DBADRM O=C([O-])CCNC(=O)c1ccc(NC(=O)[C@@]2(O)CCOC2)cc1 ZINC001602023862 1017923251 /nfs/dbraw/zinc/92/32/51/1017923251.db2.gz ZUXZPKTWDHLNPU-OAHLLOKOSA-N -1 0 322.317 -0.019 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCc1ccc[nH]c1=O ZINC001602020718 1017924025 /nfs/dbraw/zinc/92/40/25/1017924025.db2.gz OAZNXEFXZQYOPK-UHFFFAOYSA-N -1 0 310.310 -0.433 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCOC[C@H]1C[C@H]1CCOC1 ZINC001602022518 1017924766 /nfs/dbraw/zinc/92/47/66/1017924766.db2.gz ZLMXHQXLQXFYDA-VXGBXAGGSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC001602022450 1017924954 /nfs/dbraw/zinc/92/49/54/1017924954.db2.gz WDSYTFQRCFEUOJ-SNVBAGLBSA-N -1 0 324.337 -0.089 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCc2nccnc2C1 ZINC001602019814 1017924984 /nfs/dbraw/zinc/92/49/84/1017924984.db2.gz RAZMAZLWBJCAQQ-UHFFFAOYSA-N -1 0 321.337 -0.475 20 0 DBADRM O=C([O-])CCc1ccc(O)c(NC(=O)CN2C(=O)CNC2=O)c1 ZINC001602042650 1017925685 /nfs/dbraw/zinc/92/56/85/1017925685.db2.gz GBUJEWRDMTXUDJ-UHFFFAOYSA-N -1 0 321.289 -0.100 20 0 DBADRM O=C([O-])CCSCCNC(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001602029414 1017927143 /nfs/dbraw/zinc/92/71/43/1017927143.db2.gz IYCVMACLVDQSIK-SNVBAGLBSA-N -1 0 317.367 -0.826 20 0 DBADRM O=C([O-])CCc1nc(COC(=O)CCn2cnccc2=O)no1 ZINC001602047929 1017928602 /nfs/dbraw/zinc/92/86/02/1017928602.db2.gz MPOVPTKXDOUAST-UHFFFAOYSA-N -1 0 322.277 -0.223 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCN(CCO)CC2)O1 ZINC001602035528 1017928891 /nfs/dbraw/zinc/92/88/91/1017928891.db2.gz VQFRPSPKVSKVGJ-NWDGAFQWSA-N -1 0 300.355 -0.465 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@H]1C[C@]12CCOC2 ZINC001602054876 1017930932 /nfs/dbraw/zinc/93/09/32/1017930932.db2.gz KCVFMBILLLXPPL-DOMZBBRYSA-N -1 0 312.366 -0.342 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1csc(=O)[nH]1 ZINC001602054759 1017933628 /nfs/dbraw/zinc/93/36/28/1017933628.db2.gz YEPGUSLRNKWXLI-UHFFFAOYSA-N -1 0 315.351 -0.292 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1ccnc(CO)c1 ZINC001602065139 1017936192 /nfs/dbraw/zinc/93/61/92/1017936192.db2.gz DQRWJJZFTUOKSG-NSHDSACASA-N -1 0 307.306 -0.621 20 0 DBADRM O=C([O-])CNC(=O)CN1CCO[C@@H](COc2ccccc2)C1 ZINC001602065868 1017936898 /nfs/dbraw/zinc/93/68/98/1017936898.db2.gz HZVQIHHXZYIWCY-CYBMUJFWSA-N -1 0 308.334 -0.033 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1ncnc2[nH]ccc21 ZINC001602065130 1017937416 /nfs/dbraw/zinc/93/74/16/1017937416.db2.gz DOXGVPXMJGGAMW-SECBINFHSA-N -1 0 317.305 -0.285 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1ccc2nncn2c1 ZINC001602067327 1017938561 /nfs/dbraw/zinc/93/85/61/1017938561.db2.gz RCKWCFYDLBWPRA-SNVBAGLBSA-N -1 0 317.305 -0.465 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1S(=O)(=O)CCC1CC1 ZINC001602068508 1017939450 /nfs/dbraw/zinc/93/94/50/1017939450.db2.gz PPERLRSXEIPMIB-SNVBAGLBSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1cnc2n1CCOC2 ZINC001602068158 1017939038 /nfs/dbraw/zinc/93/90/38/1017939038.db2.gz ZCIUIQZWLCJCBJ-SECBINFHSA-N -1 0 322.321 -0.781 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1CC(=O)Nc1nccs1 ZINC001602068263 1017939067 /nfs/dbraw/zinc/93/90/67/1017939067.db2.gz NHDQVDZJGHQAFZ-MRVPVSSYSA-N -1 0 312.351 -0.253 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cccc2n[nH]nc21 ZINC001602067542 1017939212 /nfs/dbraw/zinc/93/92/12/1017939212.db2.gz UEGNQFADUQSDNP-JTQLQIEISA-N -1 0 317.305 -0.237 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H](O)c1ccccc1 ZINC001602067614 1017939986 /nfs/dbraw/zinc/93/99/86/1017939986.db2.gz UBMNCXIPQRWLHB-YPMHNXCESA-N -1 0 306.318 -0.088 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1S(=O)(=O)C[C@H]1CCOC1 ZINC001602067104 1017940370 /nfs/dbraw/zinc/94/03/70/1017940370.db2.gz GCEBKPOHZDSGCL-UWVGGRQHSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC001602069376 1017940864 /nfs/dbraw/zinc/94/08/64/1017940864.db2.gz CNZBDEMQGQRYQB-UHFFFAOYSA-N -1 0 322.277 -0.660 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)N1CCSCC1 ZINC001602066772 1017941352 /nfs/dbraw/zinc/94/13/52/1017941352.db2.gz OUFFNNFLKHCQHI-SECBINFHSA-N -1 0 301.368 -0.180 20 0 DBADRM O=C([O-])CNC(=O)CN1CCn2nc(C(F)(F)F)cc2C1 ZINC001602066468 1017941688 /nfs/dbraw/zinc/94/16/88/1017941688.db2.gz PYZGUZUGCBFHJY-UHFFFAOYSA-N -1 0 306.244 -0.082 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1S(=O)(=O)C[C@@H]1CCOC1 ZINC001602067103 1017941810 /nfs/dbraw/zinc/94/18/10/1017941810.db2.gz GCEBKPOHZDSGCL-NXEZZACHSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])CNC(=O)CCNC1(c2ncccn2)CCOCC1 ZINC001602067712 1017942289 /nfs/dbraw/zinc/94/22/89/1017942289.db2.gz CLVOVXUUJTWPKO-UHFFFAOYSA-N -1 0 308.338 -0.337 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C[C@@H]1CCCS(=O)(=O)C1 ZINC001602065989 1017942753 /nfs/dbraw/zinc/94/27/53/1017942753.db2.gz ASRCHMNKOLJKLB-QWRGUYRKSA-N -1 0 318.395 -0.524 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccc(-n2cncn2)c1 ZINC001602070038 1017943618 /nfs/dbraw/zinc/94/36/18/1017943618.db2.gz NYQMKYSYEYBASH-UHFFFAOYSA-N -1 0 303.278 -0.802 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccc(C2OCCO2)c1 ZINC001602070032 1017943642 /nfs/dbraw/zinc/94/36/42/1017943642.db2.gz NPYBWJVYMKSYHL-UHFFFAOYSA-N -1 0 308.290 -0.337 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cncc(N2CCCC2=O)c1 ZINC001602069735 1017943770 /nfs/dbraw/zinc/94/37/70/1017943770.db2.gz AHFYXLPRPSVLAE-UHFFFAOYSA-N -1 0 320.305 -0.861 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccccc1NC(=O)C1CC1 ZINC001602070067 1017943880 /nfs/dbraw/zinc/94/38/80/1017943880.db2.gz PWJVYCYEBUWASJ-UHFFFAOYSA-N -1 0 319.317 -0.034 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1cnc(C(F)(F)F)nc1 ZINC001602069551 1017944375 /nfs/dbraw/zinc/94/43/75/1017944375.db2.gz OAUHONBNEPQPTR-UHFFFAOYSA-N -1 0 321.215 -0.182 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)NC2CC2)cc1 ZINC001602073090 1017944766 /nfs/dbraw/zinc/94/47/66/1017944766.db2.gz RXLBPHCVWLONOI-UHFFFAOYSA-N -1 0 305.290 -0.282 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccccc1N1CCCC1=O ZINC001602070155 1017944797 /nfs/dbraw/zinc/94/47/97/1017944797.db2.gz WJWVAAVXDWZHBX-UHFFFAOYSA-N -1 0 319.317 -0.256 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)Cc1ccc(-n2cnnc2)cc1 ZINC001602070487 1017945752 /nfs/dbraw/zinc/94/57/52/1017945752.db2.gz HICITSGIIQKNCP-UHFFFAOYSA-N -1 0 318.289 -0.446 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(N2CCCC2)nc1 ZINC001602070091 1017946046 /nfs/dbraw/zinc/94/60/46/1017946046.db2.gz RNPTXHYDDMEMFM-UHFFFAOYSA-N -1 0 306.322 -0.388 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)Cn2ncnn2)cc1 ZINC001602073683 1017946143 /nfs/dbraw/zinc/94/61/43/1017946143.db2.gz YVPGGALTKMSKPH-UHFFFAOYSA-N -1 0 304.266 -0.874 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccn(-c2ccncc2)n1 ZINC001602070271 1017946225 /nfs/dbraw/zinc/94/62/25/1017946225.db2.gz HVXGCMCBRRAXTM-UHFFFAOYSA-N -1 0 304.262 -0.375 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC(CCO)(CCO)CC1 ZINC001602078893 1017947851 /nfs/dbraw/zinc/94/78/51/1017947851.db2.gz MYEWRYIXTNTVEM-UHFFFAOYSA-N -1 0 318.370 -0.356 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC001602079004 1017947871 /nfs/dbraw/zinc/94/78/71/1017947871.db2.gz VPLQSJXLGAKWCV-LLVKDONJSA-N -1 0 301.343 -0.796 20 0 DBADRM O=C([O-])COCCNC(=O)NCC1CCS(=O)(=O)CC1 ZINC001602079331 1017948184 /nfs/dbraw/zinc/94/81/84/1017948184.db2.gz CYZJPIKANNISJE-UHFFFAOYSA-N -1 0 308.356 -0.788 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC2(CC1)C[C@H](O)CCO2 ZINC001602078559 1017948223 /nfs/dbraw/zinc/94/82/23/1017948223.db2.gz BSPWYPUPDRGHRN-LLVKDONJSA-N -1 0 316.354 -0.197 20 0 DBADRM O=C([O-])COCC(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1 ZINC001602076663 1017948262 /nfs/dbraw/zinc/94/82/62/1017948262.db2.gz CFNHNCVLMKDTJX-JTQLQIEISA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC001602077699 1017948440 /nfs/dbraw/zinc/94/84/40/1017948440.db2.gz GWTNSJQZMHQTQC-UHFFFAOYSA-N -1 0 313.335 -0.212 20 0 DBADRM O=C([O-])COCCNC(=O)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC001602078812 1017949124 /nfs/dbraw/zinc/94/91/24/1017949124.db2.gz QROMRSKDCOTXBS-JTQLQIEISA-N -1 0 308.338 -0.065 20 0 DBADRM O=C([O-])COCC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001602076089 1017949652 /nfs/dbraw/zinc/94/96/52/1017949652.db2.gz GJPBGEKXWGSUFK-SNVBAGLBSA-N -1 0 320.367 -0.886 20 0 DBADRM O=C([O-])COCCNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001602077973 1017950213 /nfs/dbraw/zinc/95/02/13/1017950213.db2.gz PAUPCACBGWRNRA-VXGBXAGGSA-N -1 0 323.305 -0.825 20 0 DBADRM O=C([O-])COCCNC(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1 ZINC001602078777 1017950391 /nfs/dbraw/zinc/95/03/91/1017950391.db2.gz OSQKIXNIUNVILZ-QWRGUYRKSA-N -1 0 317.338 -0.096 20 0 DBADRM O=C([O-])COCCNC(=O)NCC[S@@](=O)CC(F)(F)F ZINC001602079706 1017952510 /nfs/dbraw/zinc/95/25/10/1017952510.db2.gz GUELPRWKEITDHT-HXUWFJFHSA-N -1 0 320.289 -0.302 20 0 DBADRM O=C([O-])COCCNC(=O)NC1CCN(c2cccnn2)CC1 ZINC001602079967 1017952685 /nfs/dbraw/zinc/95/26/85/1017952685.db2.gz XDTMZYJPPQTBCW-UHFFFAOYSA-N -1 0 323.353 -0.154 20 0 DBADRM O=C([O-])CSCCC(=O)NC[C@@H](O)CN1CCCC1=O ZINC001602101141 1017955308 /nfs/dbraw/zinc/95/53/08/1017955308.db2.gz NSGXQKACUGLFIF-SECBINFHSA-N -1 0 304.368 -0.706 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)N2CC[C@@H]2CO)cc1F ZINC001602122291 1017956436 /nfs/dbraw/zinc/95/64/36/1017956436.db2.gz MVFMEVYDFLVMIC-SNVBAGLBSA-N -1 0 310.281 -0.016 20 0 DBADRM O=C([O-])Cc1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC001602135149 1017956516 /nfs/dbraw/zinc/95/65/16/1017956516.db2.gz RTUBPMDXMSMLNH-GHMZBOCLSA-N -1 0 313.331 -0.799 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)cc1F ZINC001602132158 1017958307 /nfs/dbraw/zinc/95/83/07/1017958307.db2.gz UZCBIPMLBCYIQG-PHIMTYICSA-N -1 0 319.310 -0.821 20 0 DBADRM O=C([O-])Cc1ccccc1COC(=O)C[C@@H]1NC(=O)NC1=O ZINC001602147346 1017958883 /nfs/dbraw/zinc/95/88/83/1017958883.db2.gz FFLVRHLTNKYFBT-JTQLQIEISA-N -1 0 306.274 -0.045 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)NC[C@@]2(O)CCOC2)c1 ZINC001602142017 1017958928 /nfs/dbraw/zinc/95/89/28/1017958928.db2.gz HPBNZONUAAAXQG-ZDUSSCGKSA-N -1 0 315.347 -0.257 20 0 DBADRM O=C([O-])Cc1occc1C(=O)NC[C@H](O)CN1CCCC1=O ZINC001602155647 1017959013 /nfs/dbraw/zinc/95/90/13/1017959013.db2.gz OJFCAEVMUHMKGV-VIFPVBQESA-N -1 0 310.306 -0.380 20 0 DBADRM O=C([O-])Cc1sccc1C(=O)N1CC2(C1)NC(=O)NC2=O ZINC001602158369 1017960778 /nfs/dbraw/zinc/96/07/78/1017960778.db2.gz KBWHXOLHMKAIHM-UHFFFAOYSA-N -1 0 309.303 -0.591 20 0 DBADRM O=C([O-])Cn1cc(CCN2CC[C@](O)(C(F)(F)F)C2)nn1 ZINC001602159110 1017961031 /nfs/dbraw/zinc/96/10/31/1017961031.db2.gz ICBIEJSVDPTFIU-SNVBAGLBSA-N -1 0 308.260 -0.096 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)NCC(=O)N2CCOCC2)n1 ZINC001602138821 1017961700 /nfs/dbraw/zinc/96/17/00/1017961700.db2.gz LZQKQVFEPGSGEY-UHFFFAOYSA-N -1 0 322.321 -0.311 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)NCCCOCCO)c1 ZINC001602142854 1017962163 /nfs/dbraw/zinc/96/21/63/1017962163.db2.gz DWNASYGKSFIBJQ-UHFFFAOYSA-N -1 0 317.363 -0.009 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC3(C2)CCOCC3)cn1 ZINC001602163372 1017963542 /nfs/dbraw/zinc/96/35/42/1017963542.db2.gz KNAPKCFVRSFCMV-UHFFFAOYSA-N -1 0 315.351 -0.231 20 0 DBADRM O=C([O-])Cn1cc(CN2CCC[C@@H](N3CCNC3=O)C2)nn1 ZINC001602163133 1017963679 /nfs/dbraw/zinc/96/36/79/1017963679.db2.gz XSZDQYLLRKFQAF-LLVKDONJSA-N -1 0 308.342 -0.648 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)c2ccnc3ccnn32)nn1 ZINC001602161187 1017964745 /nfs/dbraw/zinc/96/47/45/1017964745.db2.gz DOGOUHUQLBPLSN-UHFFFAOYSA-N -1 0 316.277 -0.195 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)CCc2ccncn2)nn1 ZINC001602160922 1017964788 /nfs/dbraw/zinc/96/47/88/1017964788.db2.gz WGCMMWDELOMKDH-UHFFFAOYSA-N -1 0 305.294 -0.129 20 0 DBADRM O=C([O-])Cn1cc(Cn2cncc(Br)c2=O)nn1 ZINC001602161848 1017965918 /nfs/dbraw/zinc/96/59/18/1017965918.db2.gz HCXCUNLGAMOHMO-UHFFFAOYSA-N -1 0 314.099 -0.270 20 0 DBADRM O=C([O-])Cn1cc(CCN2C(=O)[C@H]3CSCN3C2=O)nn1 ZINC001602159393 1017966091 /nfs/dbraw/zinc/96/60/91/1017966091.db2.gz LVLDGECSLGMKLV-MRVPVSSYSA-N -1 0 311.323 -0.758 20 0 DBADRM O=C([O-])Cn1cc(CN2C(=O)C[C@]3(CCSC3)C2=O)nn1 ZINC001602161174 1017966483 /nfs/dbraw/zinc/96/64/83/1017966483.db2.gz SFBOMASNZMTMJM-LBPRGKRZSA-N -1 0 310.335 -0.255 20 0 DBADRM O=C([O-])Cn1cc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)nn1 ZINC001602162851 1017966818 /nfs/dbraw/zinc/96/68/18/1017966818.db2.gz LQJUPGWGCRFTNQ-LBPRGKRZSA-N -1 0 323.353 -0.814 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)[C@H]2COCCN2CC(F)F)n1 ZINC001602164527 1017967892 /nfs/dbraw/zinc/96/78/92/1017967892.db2.gz GGAQUAKRLNGSNX-MRVPVSSYSA-N -1 0 318.280 -0.128 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001602168732 1017968584 /nfs/dbraw/zinc/96/85/84/1017968584.db2.gz AHLKXPMFOCWOMN-AXFHLTTASA-N -1 0 303.334 -0.350 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CCOC1CCOCC1)c2=O ZINC001602167854 1017970434 /nfs/dbraw/zinc/97/04/34/1017970434.db2.gz ZWTGMCRHHWMBOE-UHFFFAOYSA-N -1 0 322.321 -0.127 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001602196355 1017971905 /nfs/dbraw/zinc/97/19/05/1017971905.db2.gz DKGBNYUPZQBWTI-NRPADANISA-N -1 0 310.285 -0.214 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)Cn1cc(-c2ccccc2)nn1 ZINC001602190685 1017972081 /nfs/dbraw/zinc/97/20/81/1017972081.db2.gz AZGXFSZKMPPVLB-YPMHNXCESA-N -1 0 316.317 -0.009 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC001602190880 1017972399 /nfs/dbraw/zinc/97/23/99/1017972399.db2.gz NWYJZAJZTQBOJP-NEPJUHHUSA-N -1 0 317.305 -0.749 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001602191903 1017972637 /nfs/dbraw/zinc/97/26/37/1017972637.db2.gz XAMUMGIWQMSPHU-BBBLOLIVSA-N -1 0 305.352 -0.752 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C[C@@H]21 ZINC001602206997 1017976185 /nfs/dbraw/zinc/97/61/85/1017976185.db2.gz HXIYTBILSULSTO-VROVMSAKSA-N -1 0 315.285 -0.381 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N(CCOC2CCOCC2)C1=O ZINC001602198698 1017976586 /nfs/dbraw/zinc/97/65/86/1017976586.db2.gz QMFXOJQGMZDUTR-GMTAPVOTSA-N -1 0 312.322 -0.177 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N(CCOC[C@@H]2CCCO2)C1=O ZINC001602198413 1017977048 /nfs/dbraw/zinc/97/70/48/1017977048.db2.gz IYULAOWCWRAABH-ZDCRXTMVSA-N -1 0 312.322 -0.177 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@]12CCC(=O)N1CCS2 ZINC001602201613 1017977518 /nfs/dbraw/zinc/97/75/18/1017977518.db2.gz DOALYLJDWJQSKR-ZDSQKVDBSA-N -1 0 314.363 -0.342 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)NC[C@@H]3CCCS3(=O)=O)C[C@@H]21 ZINC001602205510 1017978061 /nfs/dbraw/zinc/97/80/61/1017978061.db2.gz PYDJTBSQNXSWJH-AXTSPUMRSA-N -1 0 302.352 -0.464 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1cccc2c1OCCCO2 ZINC001602208944 1017979080 /nfs/dbraw/zinc/97/90/80/1017979080.db2.gz RFGWCKAOTDPRPW-QMMMGPOBSA-N -1 0 317.319 -0.428 20 0 DBADRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)CC1C(=O)N=CNC1=O ZINC001602209980 1017980014 /nfs/dbraw/zinc/98/00/14/1017980014.db2.gz QEADMHPUHAALMP-ZCFIWIBFSA-N -1 0 303.221 -0.249 20 0 DBADRM O=C([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC001602232422 1017982081 /nfs/dbraw/zinc/98/20/81/1017982081.db2.gz VDZIWFBUVXGOKE-RKDXNWHRSA-N -1 0 319.310 -0.048 20 0 DBADRM O=C([O-])c1cc(F)ccc1S(=O)(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001602277244 1017983890 /nfs/dbraw/zinc/98/38/90/1017983890.db2.gz OYJNRBWOGKUYHW-ZJUUUORDSA-N -1 0 319.310 -0.360 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H](O)C2CCOCC2)n[nH]1 ZINC001602293787 1017984295 /nfs/dbraw/zinc/98/42/95/1017984295.db2.gz JZWFNKWDYZRBRD-VIFPVBQESA-N -1 0 319.339 -0.826 20 0 DBADRM O=C([O-])c1cc(F)cc(C(=O)NN2CCS(=O)(=O)CC2)c1 ZINC001602271207 1017986352 /nfs/dbraw/zinc/98/63/52/1017986352.db2.gz HQTSYZZCRQZJTL-UHFFFAOYSA-N -1 0 316.310 -0.101 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2C[NH+]3CCC2CC3)on1 ZINC001602295848 1017987958 /nfs/dbraw/zinc/98/79/58/1017987958.db2.gz FTNJUHAFEFZOMM-SECBINFHSA-N -1 0 315.351 -0.007 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCOC[C@@H]2CCCO2)n[nH]1 ZINC001602296263 1017988681 /nfs/dbraw/zinc/98/86/81/1017988681.db2.gz XDFAPSDVJIYWQQ-QMMMGPOBSA-N -1 0 319.339 -0.418 20 0 DBADRM O=C([O-])c1ccc(C(=O)N(CCO)CCN2CCOCC2)cn1 ZINC001602317719 1017989662 /nfs/dbraw/zinc/98/96/62/1017989662.db2.gz NVQVSPNUYBQDHP-UHFFFAOYSA-N -1 0 323.349 -0.454 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)n1 ZINC001602431811 1017993179 /nfs/dbraw/zinc/99/31/79/1017993179.db2.gz WGLWTBZNGTWXCU-NWDGAFQWSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1ccc2c(c1)ncn(CC(=O)N1CCOCC1)c2=O ZINC001602410184 1017994726 /nfs/dbraw/zinc/99/47/26/1017994726.db2.gz DSWYWOPMFMDDHN-UHFFFAOYSA-N -1 0 317.301 -0.047 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1CC(O)(C2CC2)C1 ZINC001602586601 1018023910 /nfs/dbraw/zinc/02/39/10/1018023910.db2.gz GOGICKNTLAGCHA-UHFFFAOYSA-N -1 0 304.349 -0.013 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)o1 ZINC001602394964 1017996378 /nfs/dbraw/zinc/99/63/78/1017996378.db2.gz NUBYIBLEUFOMIY-VIFPVBQESA-N -1 0 316.335 -0.317 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCSC[C@@H]2CO)c1=O ZINC001602476321 1017997592 /nfs/dbraw/zinc/99/75/92/1017997592.db2.gz RNTAEPYGLJQFAG-VIFPVBQESA-N -1 0 312.347 -0.517 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)c1 ZINC001602451398 1017998515 /nfs/dbraw/zinc/99/85/15/1017998515.db2.gz MOCLOFMMYUVCSA-MNOVXSKESA-N -1 0 301.320 -0.499 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCO[C@@]3(CCOC3)C2)c1=O ZINC001602475341 1017998609 /nfs/dbraw/zinc/99/86/09/1017998609.db2.gz FJWYSCQFWAGYOJ-HNNXBMFYSA-N -1 0 322.317 -0.436 20 0 DBADRM O=C([O-])c1cccc(C(=O)NCC23COCCN2CCOC3)n1 ZINC001602433541 1017999317 /nfs/dbraw/zinc/99/93/17/1017999317.db2.gz YPFJEPDOMSSTDE-UHFFFAOYSA-N -1 0 321.333 -0.389 20 0 DBADRM O=C([O-])c1ccccc1CS(=O)(=O)NCCOCCO ZINC001602469704 1017999809 /nfs/dbraw/zinc/99/98/09/1017999809.db2.gz HBUNMMDRUCGGRL-UHFFFAOYSA-N -1 0 303.336 -0.187 20 0 DBADRM Cc1nccn1CC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001499120080 1018000137 /nfs/dbraw/zinc/00/01/37/1018000137.db2.gz LHOUNYBLKBJIBK-JTQLQIEISA-N -1 0 305.342 -0.594 20 0 DBADRM O=C([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCOC[C@H]2O)c1 ZINC001602440633 1018000512 /nfs/dbraw/zinc/00/05/12/1018000512.db2.gz AMVPIFSXMUQMFN-VXGBXAGGSA-N -1 0 315.347 -0.046 20 0 DBADRM O=C([O-])c1cccc(C(=O)N[C@H]2C(=O)NCC23CCOCC3)n1 ZINC001602434067 1018000561 /nfs/dbraw/zinc/00/05/61/1018000561.db2.gz GZLOZDHMBSFINJ-NSHDSACASA-N -1 0 319.317 -0.195 20 0 DBADRM O=C([O-])c1cccc(CS(=O)(=O)N2C[C@H](O)C[C@H](O)C2)c1 ZINC001602439029 1018000830 /nfs/dbraw/zinc/00/08/30/1018000830.db2.gz JXCVHJFITYVDEV-TXEJJXNPSA-N -1 0 315.347 -0.358 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N2CC(NC3COC3)C2)n1 ZINC001602478861 1018001145 /nfs/dbraw/zinc/00/11/45/1018001145.db2.gz SZXJZFGMCBKNIQ-UHFFFAOYSA-N -1 0 308.338 -0.439 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)c1 ZINC001602478043 1018001762 /nfs/dbraw/zinc/00/17/62/1018001762.db2.gz PCNMRZKKSLLKAJ-VXGBXAGGSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)c1 ZINC001602478040 1018002347 /nfs/dbraw/zinc/00/23/47/1018002347.db2.gz PCNMRZKKSLLKAJ-NEPJUHHUSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)NC[C@@H]1CCCS1(=O)=O ZINC001602488822 1018003512 /nfs/dbraw/zinc/00/35/12/1018003512.db2.gz MJPACQNJYVGYDO-ZETCQYMHSA-N -1 0 323.348 -0.167 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)c3cc(=O)cc[nH]3)C2)nn1 ZINC001602497069 1018005687 /nfs/dbraw/zinc/00/56/87/1018005687.db2.gz JZURRQVMWYZGBG-MRVPVSSYSA-N -1 0 303.278 -0.248 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)c3ccc(CO)nc3)C2)nn1 ZINC001602497841 1018005852 /nfs/dbraw/zinc/00/58/52/1018005852.db2.gz BJBOQSNEFLQMBE-NSHDSACASA-N -1 0 317.305 -0.049 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)Cn3cc(C4CC4)nn3)C2)nn1 ZINC001602502036 1018006145 /nfs/dbraw/zinc/00/61/45/1018006145.db2.gz PWALEVYKNWWJQY-UHFFFAOYSA-N -1 0 317.309 -0.471 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)NCCn3cncn3)C2)nn1 ZINC001602498339 1018006907 /nfs/dbraw/zinc/00/69/07/1018006907.db2.gz HPANLVIYNXROMT-SECBINFHSA-N -1 0 320.313 -0.776 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2cccc3[nH]c(=O)[nH]c32)nn1 ZINC001602502595 1018007111 /nfs/dbraw/zinc/00/71/11/1018007111.db2.gz CPEQNAXJZFWTFI-UHFFFAOYSA-N -1 0 316.277 -0.012 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@H]2CCCC23OCCO3)nn1 ZINC001602503932 1018007126 /nfs/dbraw/zinc/00/71/26/1018007126.db2.gz AGDKFIAZXPKJAG-SECBINFHSA-N -1 0 310.310 -0.364 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@@H]3OCC[C@@H]3C2)nn1 ZINC001602502986 1018008026 /nfs/dbraw/zinc/00/80/26/1018008026.db2.gz BQYROSGPLKJHQY-KOLCDFICSA-N -1 0 309.326 -0.203 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@H](c3ncccn3)C2)nn1 ZINC001602503182 1018008116 /nfs/dbraw/zinc/00/81/16/1018008116.db2.gz WLWWDLJPHYOXBT-VIFPVBQESA-N -1 0 302.294 -0.218 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C2(C(=O)NC3CC3)CC2)nn1 ZINC001602504033 1018008515 /nfs/dbraw/zinc/00/85/15/1018008515.db2.gz GNJPWWILTJQUIA-UHFFFAOYSA-N -1 0 307.310 -0.849 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@H](c3cc(=O)[nH][nH]3)C2)nn1 ZINC001602502742 1018008581 /nfs/dbraw/zinc/00/85/81/1018008581.db2.gz NDGUDINVXZIFFI-ZETCQYMHSA-N -1 0 306.282 -0.579 20 0 DBADRM O=C([O-])c1cn(CCOC(=O)c2ccc3c(n2)OCCO3)nn1 ZINC001602504357 1018009024 /nfs/dbraw/zinc/00/90/24/1018009024.db2.gz GSZWQYZBIVVYCW-UHFFFAOYSA-N -1 0 320.261 -0.001 20 0 DBADRM O=C([O-])c1cn(C2CN(CN3C(=O)[C@@H]4CC[C@@H]4C3=O)C2)nn1 ZINC001602502092 1018009138 /nfs/dbraw/zinc/00/91/38/1018009138.db2.gz KJKPAIKHNPCLMU-DTORHVGOSA-N -1 0 305.294 -0.815 20 0 DBADRM O=C([O-])c1cnc(N2CCC3(CC2)C[C@@H](O)CNC3=O)cn1 ZINC001602524480 1018009439 /nfs/dbraw/zinc/00/94/39/1018009439.db2.gz DXPUIFCNGHNWKS-SECBINFHSA-N -1 0 306.322 -0.358 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cn1 ZINC001602508887 1018010709 /nfs/dbraw/zinc/01/07/09/1018010709.db2.gz XWIHEVVCRFQNIJ-ZETCQYMHSA-N -1 0 303.282 -0.292 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@@H](CO)[C@H]1CCCOC1 ZINC001602507722 1018010974 /nfs/dbraw/zinc/01/09/74/1018010974.db2.gz KJVSLSNYYJGPID-CBAPKCEASA-N -1 0 319.339 -0.826 20 0 DBADRM O=C([O-])c1cn([C@@H]2COC[C@H]2OC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)nn1 ZINC001602506395 1018011154 /nfs/dbraw/zinc/01/11/54/1018011154.db2.gz TVKROQLKVQHQPU-ZOUWBMGKSA-N -1 0 323.305 -0.116 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H](NC(=O)[C@@H]3CC34CC4)[C@@H](O)C2)nc1 ZINC001602528063 1018012860 /nfs/dbraw/zinc/01/28/60/1018012860.db2.gz QVMJIGQKCQSYNO-AXFHLTTASA-N -1 0 318.333 -0.359 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)[C@@H]2CCCCO2)nc1 ZINC001602531254 1018012972 /nfs/dbraw/zinc/01/29/72/1018012972.db2.gz WSYHZWDXRWJILY-QWRGUYRKSA-N -1 0 324.337 -0.367 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)[C@@H]2CC2(F)F)nc1 ZINC001602529564 1018014162 /nfs/dbraw/zinc/01/41/62/1018014162.db2.gz GGLHHNOPLPBYDS-SFYZADRCSA-N -1 0 316.264 -0.281 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)NC[C@@]2(O)CCSC2)c1 ZINC001602542960 1018015547 /nfs/dbraw/zinc/01/55/47/1018015547.db2.gz UQRQJWGSTWBQSK-NSHDSACASA-N -1 0 318.376 -0.074 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N2CCN(CCO)CC2)c1 ZINC001602541582 1018016026 /nfs/dbraw/zinc/01/60/26/1018016026.db2.gz GZTLHVCSKKUNJR-UHFFFAOYSA-N -1 0 315.351 -0.922 20 0 DBADRM O=C([O-])c1coc(C(=O)NC[C@@]23COCCN2C(=O)COC3)c1 ZINC001602549706 1018016094 /nfs/dbraw/zinc/01/60/94/1018016094.db2.gz VPKVDBAZVLRXNH-AWEZNQCLSA-N -1 0 324.289 -0.665 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCN(Cc3ccno3)CC2)c1 ZINC001602545560 1018016108 /nfs/dbraw/zinc/01/61/08/1018016108.db2.gz UVVFDNWXNJAURD-UHFFFAOYSA-N -1 0 319.321 -0.086 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCN(c3ncc[nH]3)CC2)c1 ZINC001602545882 1018016374 /nfs/dbraw/zinc/01/63/74/1018016374.db2.gz YJGUJDRCNWGXGB-UHFFFAOYSA-N -1 0 304.310 -0.347 20 0 DBADRM O=C([O-])c1cncc(C(=O)NC[C@@]2(OCCO)CCOC2)c1 ZINC001602537463 1018016649 /nfs/dbraw/zinc/01/66/49/1018016649.db2.gz OJWHHVQAAZJVHH-AWEZNQCLSA-N -1 0 310.306 -0.322 20 0 DBADRM O=C([O-])c1cnc(N[C@@H]2CCN(C(=O)c3cnon3)C2)nc1 ZINC001602535463 1018017205 /nfs/dbraw/zinc/01/72/05/1018017205.db2.gz GHMVTGCMQHJDGR-MRVPVSSYSA-N -1 0 304.266 -0.116 20 0 DBADRM O=C([O-])c1nccc(NC[C@H]2CCN(C(=O)c3cn[nH]n3)C2)n1 ZINC001602573563 1018017678 /nfs/dbraw/zinc/01/76/78/1018017678.db2.gz QCEDHJBZZVNMTQ-MRVPVSSYSA-N -1 0 317.309 -0.711 20 0 DBADRM O=C([O-])c1nc(C(=O)N2C[C@H](CO)[C@H](CCO)C2)cs1 ZINC001602567407 1018017697 /nfs/dbraw/zinc/01/76/97/1018017697.db2.gz IPPBOJBIYOEPMR-HTQZYQBOSA-N -1 0 300.336 -0.096 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2C[C@H](CO)[C@H](CCO)C2)c1 ZINC001602555720 1018017792 /nfs/dbraw/zinc/01/77/92/1018017792.db2.gz KNDDVNFEQSFZCE-PSASIEDQSA-N -1 0 319.335 -0.411 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)[C@H]2CC23CCOCC3)n1 ZINC001602573060 1018018882 /nfs/dbraw/zinc/01/88/82/1018018882.db2.gz FHJYUVJVBCYVCN-SNVBAGLBSA-N -1 0 320.349 -0.059 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)NC[C@@H](CO)[C@H]2CCOC2)c1 ZINC001602556642 1018018893 /nfs/dbraw/zinc/01/88/93/1018018893.db2.gz JXXQGIMMOHQXGQ-WPRPVWTQSA-N -1 0 319.335 -0.099 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)c2ncccc2F)n1 ZINC001602572838 1018018981 /nfs/dbraw/zinc/01/89/81/1018018981.db2.gz BJUCDNJQYFCJQB-UHFFFAOYSA-N -1 0 305.269 -0.027 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)[C@@H]2CCCOC2)n1 ZINC001602573374 1018019218 /nfs/dbraw/zinc/01/92/18/1018019218.db2.gz NDFSBORWAAMYGZ-SNVBAGLBSA-N -1 0 308.338 -0.059 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H]2CCN(C(=O)[C@H]3CCOC3)C2)n1 ZINC001602573803 1018019926 /nfs/dbraw/zinc/01/99/26/1018019926.db2.gz VIFLHLFMQJXMMY-QWRGUYRKSA-N -1 0 320.349 -0.106 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)[C@@H]3CCOC3)CC2)n1 ZINC001602574716 1018019960 /nfs/dbraw/zinc/01/99/60/1018019960.db2.gz RRGUHGHMIQVZFB-SECBINFHSA-N -1 0 306.322 -0.306 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NCCO[C@@H]1CCOC1 ZINC001602576860 1018020419 /nfs/dbraw/zinc/02/04/19/1018020419.db2.gz AMYOUVCWFOKXQX-SECBINFHSA-N -1 0 316.335 -0.136 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NCCN1CCOCC1 ZINC001602577580 1018020822 /nfs/dbraw/zinc/02/08/22/1018020822.db2.gz LEHMGZHCNTYRPA-UHFFFAOYSA-N -1 0 315.351 -0.610 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)n1 ZINC001602575153 1018020908 /nfs/dbraw/zinc/02/09/08/1018020908.db2.gz RQOKQNFSASDMAO-MRVPVSSYSA-N -1 0 317.309 -0.569 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)[C@H]3CCOC3)CC2)n1 ZINC001602574717 1018021097 /nfs/dbraw/zinc/02/10/97/1018021097.db2.gz RRGUHGHMIQVZFB-VIFPVBQESA-N -1 0 306.322 -0.306 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NCC[C@]1(O)CCOC1 ZINC001602589289 1018022658 /nfs/dbraw/zinc/02/26/58/1018022658.db2.gz XXRFGVBOLZUEJP-JTQLQIEISA-N -1 0 322.364 -0.339 20 0 DBADRM O=C([O-])c1occc1CN1CCS(=O)(=O)C[C@@H]1CCO ZINC001602590996 1018022938 /nfs/dbraw/zinc/02/29/38/1018022938.db2.gz NXNMVPZKVPOHRF-JTQLQIEISA-N -1 0 303.336 -0.041 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N1CCSC[C@@H]1CO ZINC001602578661 1018023127 /nfs/dbraw/zinc/02/31/27/1018023127.db2.gz ZHTMNRUHEANFBA-QMMMGPOBSA-N -1 0 318.376 -0.122 20 0 DBADRM O=C([O-])c1cc(C(=O)OCCCN2C(=O)CNC2=O)ccn1 ZINC001602613927 1018023794 /nfs/dbraw/zinc/02/37/94/1018023794.db2.gz JJLOESOHZBVOJA-UHFFFAOYSA-N -1 0 307.262 -0.122 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CC[C@@](F)(CO)C1 ZINC001602585485 1018023817 /nfs/dbraw/zinc/02/38/17/1018023817.db2.gz VEQMENNJWVPKBH-LBPRGKRZSA-N -1 0 302.258 -0.178 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001602625970 1018024719 /nfs/dbraw/zinc/02/47/19/1018024719.db2.gz OXGIBZURXAZIKX-CQSZACIVSA-N -1 0 306.322 -0.262 20 0 DBADRM O=C([O-])c1cn([C@@H]2COC[C@H]2OC(=O)c2cncnc2)nn1 ZINC001602618798 1018024758 /nfs/dbraw/zinc/02/47/58/1018024758.db2.gz GRESVDGLTBMDOL-NXEZZACHSA-N -1 0 305.250 -0.437 20 0 DBADRM O=C([O-])[C@]1(N2CCN([C@@H]3CCN(C4CC4)C3=O)CC2)CCOC1 ZINC001602628916 1018025030 /nfs/dbraw/zinc/02/50/30/1018025030.db2.gz BNKBVJWXIFBBPQ-CJNGLKHVSA-N -1 0 323.393 -0.389 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)c3ccc(O)cn3)CC2)CCOC1 ZINC001602626177 1018025246 /nfs/dbraw/zinc/02/52/46/1018025246.db2.gz XJKVLXORRCWBJQ-HNNXBMFYSA-N -1 0 321.333 -0.211 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2ccc(N3CCOCC3)nc2)C1 ZINC001602625749 1018025521 /nfs/dbraw/zinc/02/55/21/1018025521.db2.gz FQUUNFRLVNDCMX-OAHLLOKOSA-N -1 0 321.333 -0.420 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cc(Br)n[nH]2)C1 ZINC001602624566 1018025541 /nfs/dbraw/zinc/02/55/41/1018025541.db2.gz AOAIZMJEJXBCEK-VIFPVBQESA-N -1 0 304.100 -0.166 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2[nH]ncc2Br)C1 ZINC001602622565 1018025636 /nfs/dbraw/zinc/02/56/36/1018025636.db2.gz ZVDFBGHMPIYFAV-SECBINFHSA-N -1 0 304.100 -0.166 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccc(-n3cc[nH]c3=O)cc2)C1 ZINC001602624175 1018025958 /nfs/dbraw/zinc/02/59/58/1018025958.db2.gz NBKFROHALTXDAT-UHFFFAOYSA-N -1 0 303.274 -0.151 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2ccc(Cn3ccnn3)cc2)C1 ZINC001602625047 1018026102 /nfs/dbraw/zinc/02/61/02/1018026102.db2.gz QQELPUNXWBVMGI-HNNXBMFYSA-N -1 0 316.317 -0.012 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cccc3nc(CO)[nH]c32)C1 ZINC001602628222 1018026387 /nfs/dbraw/zinc/02/63/87/1018026387.db2.gz HODYGQMMHHGKLE-AWEZNQCLSA-N -1 0 305.290 -0.283 20 0 DBADRM O=C([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CNC(=O)C1 ZINC001602635802 1018026906 /nfs/dbraw/zinc/02/69/06/1018026906.db2.gz LNOZELZRXWXCSV-ZCFIWIBFSA-N -1 0 302.283 -0.309 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2NC(=O)CC23CCCCC3)nn1 ZINC001602636296 1018026930 /nfs/dbraw/zinc/02/69/30/1018026930.db2.gz ZPCNDSUWBQYABE-UHFFFAOYSA-N -1 0 307.310 -0.057 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC001602635847 1018026977 /nfs/dbraw/zinc/02/69/77/1018026977.db2.gz MNVISXNZCGFZQD-OYNCUSHFSA-N -1 0 302.352 -0.468 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)ccc1F ZINC001602636456 1018027386 /nfs/dbraw/zinc/02/73/86/1018027386.db2.gz FRWRBIYVEDLJGM-SSDOTTSWSA-N -1 0 309.253 -0.533 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cncc(N3CCCC3)n2)C1 ZINC001602629570 1018028244 /nfs/dbraw/zinc/02/82/44/1018028244.db2.gz HVBXIKHXRFCSEC-CQSZACIVSA-N -1 0 306.322 -0.262 20 0 DBADRM O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001602634222 1018028276 /nfs/dbraw/zinc/02/82/76/1018028276.db2.gz WEZZQRZBABCQHX-JOFVHKCDSA-N -1 0 324.333 -0.432 20 0 DBADRM O=C([O-])c1c(F)cccc1NC(=O)C(=O)N[C@@H]1CNC(=O)C1 ZINC001602636017 1018028351 /nfs/dbraw/zinc/02/83/51/1018028351.db2.gz ALMKYGFWRQPHAW-LURJTMIESA-N -1 0 309.253 -0.533 20 0 DBADRM O=C(C[C@H]1CC(=O)NC1=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC001602633720 1018028393 /nfs/dbraw/zinc/02/83/93/1018028393.db2.gz MZNWHHAVNYFTKB-VHSXEESVSA-N -1 0 312.322 -0.575 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)ccc1F ZINC001602636457 1018028666 /nfs/dbraw/zinc/02/86/66/1018028666.db2.gz FRWRBIYVEDLJGM-ZETCQYMHSA-N -1 0 309.253 -0.533 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001602636631 1018028931 /nfs/dbraw/zinc/02/89/31/1018028931.db2.gz SJCZMUSODYBTCB-ZLUOBGJFSA-N -1 0 300.208 -0.160 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCCN2C(=O)CCCC2=O)CCC1 ZINC001602642382 1018029068 /nfs/dbraw/zinc/02/90/68/1018029068.db2.gz DMTAIYVLCWTATP-UHFFFAOYSA-N -1 0 318.351 -0.548 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C[C@@H]3CCCC(=O)N3)C[C@H]1COCC2 ZINC001602643049 1018029152 /nfs/dbraw/zinc/02/91/52/1018029152.db2.gz JBKYIKZXHOQWEZ-ZIBATOQPSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)nn1 ZINC001602640738 1018029362 /nfs/dbraw/zinc/02/93/62/1018029362.db2.gz UDROAEJQBHDMBG-IUCAKERBSA-N -1 0 307.310 -0.582 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCC2=C(CCC(=O)N2)C1 ZINC001602642499 1018029484 /nfs/dbraw/zinc/02/94/84/1018029484.db2.gz WSYMENYJLKTOMA-AOOOYVTPSA-N -1 0 321.333 -0.638 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCNC(=O)CC2)cn1 ZINC001602638358 1018029498 /nfs/dbraw/zinc/02/94/98/1018029498.db2.gz DNOFKQCFNUMHGD-MRVPVSSYSA-N -1 0 313.335 -0.273 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001602643594 1018029581 /nfs/dbraw/zinc/02/95/81/1018029581.db2.gz VIOAZIXANKUBQI-RKDXNWHRSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)nn1 ZINC001602640758 1018029701 /nfs/dbraw/zinc/02/97/01/1018029701.db2.gz UMZASDUXSQSUBO-SECBINFHSA-N -1 0 321.337 -0.192 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC001602639140 1018030062 /nfs/dbraw/zinc/03/00/62/1018030062.db2.gz YMQYTRJBAXJSML-NHYWBVRUSA-N -1 0 306.318 -0.604 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC001602638366 1018030588 /nfs/dbraw/zinc/03/05/88/1018030588.db2.gz DUFOEPCTLBOHQG-SECBINFHSA-N -1 0 319.273 -0.755 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(C(=O)[C@H]1CCC(=O)NC1)CC2 ZINC001602641433 1018030669 /nfs/dbraw/zinc/03/06/69/1018030669.db2.gz AQVIVPYEOUOGMZ-VIFPVBQESA-N -1 0 309.322 -0.265 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC001602639404 1018030738 /nfs/dbraw/zinc/03/07/38/1018030738.db2.gz IEBMAMRZEHRCKB-JTQLQIEISA-N -1 0 321.289 -0.980 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCNC(=O)CC2)cn1 ZINC001602638359 1018030830 /nfs/dbraw/zinc/03/08/30/1018030830.db2.gz DNOFKQCFNUMHGD-QMMMGPOBSA-N -1 0 313.335 -0.273 20 0 DBADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)CN1CCNC(=O)C1 ZINC001602648928 1018031253 /nfs/dbraw/zinc/03/12/53/1018031253.db2.gz JZCYQSBAZUPBLM-UHFFFAOYSA-N -1 0 303.318 -0.294 20 0 DBADRM O=C([O-])c1cccc2c1CCN(CC(=O)N1CCNC(=O)C1)C2 ZINC001602649897 1018031298 /nfs/dbraw/zinc/03/12/98/1018031298.db2.gz OVIIBJVRYDPLMT-UHFFFAOYSA-N -1 0 317.345 -0.299 20 0 DBADRM O=C([O-])c1ccc(N2CCN(C(=O)[C@H]3CCC(=O)O3)CC2)nn1 ZINC001602647474 1018031375 /nfs/dbraw/zinc/03/13/75/1018031375.db2.gz XSICAMYBMWWNCN-SNVBAGLBSA-N -1 0 320.305 -0.471 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NC[C@@H]2CCC(=O)N2)cc1F ZINC001602647112 1018031567 /nfs/dbraw/zinc/03/15/67/1018031567.db2.gz HDFZJOLSJRAGCW-QMMMGPOBSA-N -1 0 323.280 -0.143 20 0 DBADRM O=C([O-])C1CCN(C(=O)COC(=O)[C@H]2CCCC(=O)N2)CC1 ZINC001602645499 1018031979 /nfs/dbraw/zinc/03/19/79/1018031979.db2.gz FHWAFDMPWVHNTC-SNVBAGLBSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])c1ccc2c(c1)CN(CC(=O)N1CCNC(=O)C1)CC2 ZINC001602650142 1018032314 /nfs/dbraw/zinc/03/23/14/1018032314.db2.gz ZDTVMAOUKNWNSQ-UHFFFAOYSA-N -1 0 317.345 -0.299 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CN2CCNC(=O)C2)c(F)c1 ZINC001602649689 1018032741 /nfs/dbraw/zinc/03/27/41/1018032741.db2.gz WRZYDOQJMXQNNO-UHFFFAOYSA-N -1 0 309.297 -0.428 20 0 DBADRM O=C([O-])[C@@H](CCF)NC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001602650913 1018033507 /nfs/dbraw/zinc/03/35/07/1018033507.db2.gz QAKJYSIQOSARON-SNVBAGLBSA-N -1 0 324.312 -0.440 20 0 DBADRM O=C([O-])C12CCC(CC1)N2C(=O)CCCN1C(=O)CNC1=O ZINC001602651401 1018033545 /nfs/dbraw/zinc/03/35/45/1018033545.db2.gz FTYYUOCMFALPLE-UHFFFAOYSA-N -1 0 309.322 -0.073 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)CC1 ZINC001602651056 1018034030 /nfs/dbraw/zinc/03/40/30/1018034030.db2.gz YJOZINXRYNXAOW-ZJUUUORDSA-N -1 0 316.379 -0.076 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC(=O)Nc3cnccc32)on1 ZINC001602651044 1018034620 /nfs/dbraw/zinc/03/46/20/1018034620.db2.gz XXGDGVXVFSZMQQ-UHFFFAOYSA-N -1 0 324.274 -0.085 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1ccc2c(c1)NC(=O)CNC2=O)C1CC1 ZINC001602651441 1018035057 /nfs/dbraw/zinc/03/50/57/1018035057.db2.gz GZFRZRPAFUCSBZ-GFCCVEGCSA-N -1 0 317.301 -0.039 20 0 DBADRM O=C([O-])c1cnc(NC2(CNC(=O)[C@H]3COC(=O)N3)CC2)nc1 ZINC001602655971 1018035462 /nfs/dbraw/zinc/03/54/62/1018035462.db2.gz JKWDNOXUUSSVHP-MRVPVSSYSA-N -1 0 321.293 -0.656 20 0 DBADRM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001602656243 1018035517 /nfs/dbraw/zinc/03/55/17/1018035517.db2.gz LNVZJECSOAGWBZ-RRAGMBSWSA-N -1 0 323.227 -0.550 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)nc1 ZINC001602655741 1018035721 /nfs/dbraw/zinc/03/57/21/1018035721.db2.gz URTXQHAQWZIANA-CQSZACIVSA-N -1 0 318.289 -0.406 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c[nH]1 ZINC001602655196 1018035923 /nfs/dbraw/zinc/03/59/23/1018035923.db2.gz NVWYIYAHUBDWSD-XLKFXECMSA-N -1 0 320.305 -0.179 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CC3(C2)NC(=O)NC3=O)c(F)c1 ZINC001602655320 1018035940 /nfs/dbraw/zinc/03/59/40/1018035940.db2.gz CUBZXOADHKOWOH-UHFFFAOYSA-N -1 0 307.237 -0.442 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001602656598 1018036501 /nfs/dbraw/zinc/03/65/01/1018036501.db2.gz VNSNKYYAGGSNKN-WCTZXXKLSA-N -1 0 324.255 -0.510 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)[nH]1 ZINC001602654782 1018036627 /nfs/dbraw/zinc/03/66/27/1018036627.db2.gz DROKKWMCWAJTOM-NXSYQRQQSA-N -1 0 320.305 -0.179 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c[nH]1 ZINC001602655199 1018037161 /nfs/dbraw/zinc/03/71/61/1018037161.db2.gz OARKRHRKBUDVNW-ZDUSSCGKSA-N -1 0 306.278 -0.473 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)nc1 ZINC001602655706 1018037213 /nfs/dbraw/zinc/03/72/13/1018037213.db2.gz SYWVPJOPVDQXFA-ISVAXAHUSA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])c1cnc(N[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)nc1 ZINC001602656934 1018038292 /nfs/dbraw/zinc/03/82/92/1018038292.db2.gz XBNAYAWWZZHPFS-DTWKUNHWSA-N -1 0 321.293 -0.704 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCC[C@@H]3CCNC(=O)[C@H]32)CCC1 ZINC001602659835 1018038617 /nfs/dbraw/zinc/03/86/17/1018038617.db2.gz TZJYIOXAWBTODT-ZJUUUORDSA-N -1 0 316.379 -0.076 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1COC(=O)N1)Oc1ccc(F)cc1 ZINC001602659573 1018038872 /nfs/dbraw/zinc/03/88/72/1018038872.db2.gz SOFZSUCDOLMORS-VHSXEESVSA-N -1 0 312.253 -0.118 20 0 DBADRM O=C([O-])C1(C2(O)CCN(C(=O)[C@@H]3CCNC3=O)CC2)CCC1 ZINC001602659735 1018039191 /nfs/dbraw/zinc/03/91/91/1018039191.db2.gz SASZLVQJZUNTIP-SNVBAGLBSA-N -1 0 310.350 -0.269 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CNC(=O)c2ccccc21 ZINC001602657869 1018039346 /nfs/dbraw/zinc/03/93/46/1018039346.db2.gz HSSHWIHVJIQYKU-ZHAHWJHGSA-N -1 0 304.302 -0.440 20 0 DBADRM O=CN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001602663257 1018039376 /nfs/dbraw/zinc/03/93/76/1018039376.db2.gz NANOVDXWRSJUMB-UHFFFAOYSA-N -1 0 302.308 -0.169 20 0 DBADRM O=Cc1ccc(OCCC(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001602667926 1018040057 /nfs/dbraw/zinc/04/00/57/1018040057.db2.gz UZSVKYLMJFHOMN-UHFFFAOYSA-N -1 0 308.290 -0.415 20 0 DBADRM O=Cc1cncc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1 ZINC001602669125 1018041218 /nfs/dbraw/zinc/04/12/18/1018041218.db2.gz APTGRXLDAOFCGU-NSHDSACASA-N -1 0 305.290 -0.301 20 0 DBADRM O=Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])[nH]1 ZINC001602666469 1018041546 /nfs/dbraw/zinc/04/15/46/1018041546.db2.gz XNSUQUZWEIPEMA-VIFPVBQESA-N -1 0 314.319 -0.459 20 0 DBADRM O=Cc1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])co1 ZINC001602664670 1018041972 /nfs/dbraw/zinc/04/19/72/1018041972.db2.gz DMCVEXKPDFKCPD-UHFFFAOYSA-N -1 0 310.306 -0.049 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H](CC)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001499274494 1018054099 /nfs/dbraw/zinc/05/40/99/1018054099.db2.gz RPAPMWJESQRLPG-RNFRBKRXSA-N -1 0 315.305 -0.345 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)[C@H](C(=O)[O-])C(C)C)CC1 ZINC001602744750 1018057323 /nfs/dbraw/zinc/05/73/23/1018057323.db2.gz AYMKJUMHKRCWCG-LBPRGKRZSA-N -1 0 314.338 -0.423 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@@H](C)C(=O)[O-])C1 ZINC001602751421 1018057385 /nfs/dbraw/zinc/05/73/85/1018057385.db2.gz XYBWMGMQDGUTSI-WCBMZHEXSA-N -1 0 300.311 -0.623 20 0 DBADRM CC(=O)N1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC001602745268 1018057684 /nfs/dbraw/zinc/05/76/84/1018057684.db2.gz WLRKDYCIPVMHMM-NSHDSACASA-N -1 0 311.338 -1.000 20 0 DBADRM CC(=O)NCCN(C(=O)C[C@H]1CCC(=O)NC1)[C@H](C)C(=O)[O-] ZINC001602753965 1018059815 /nfs/dbraw/zinc/05/98/15/1018059815.db2.gz YBZRNTXGRUZBDV-MWLCHTKSSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(=O)NCCN(C(=O)c1cnn2c1OCCC2)[C@@H](C)C(=O)[O-] ZINC001602757657 1018061685 /nfs/dbraw/zinc/06/16/85/1018061685.db2.gz LDCCBEYJZAXGHL-VIFPVBQESA-N -1 0 324.337 -0.283 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)Nc1n[nH]cc1C(=O)[O-])n1cccn1 ZINC001602786023 1018062357 /nfs/dbraw/zinc/06/23/57/1018062357.db2.gz BXFAWMATJLMRMV-QMMMGPOBSA-N -1 0 320.309 -0.038 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])n1cccn1 ZINC001602789173 1018062508 /nfs/dbraw/zinc/06/25/08/1018062508.db2.gz INMMQVBGLXKLOC-RKDXNWHRSA-N -1 0 301.324 -0.846 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC001602804728 1018065169 /nfs/dbraw/zinc/06/51/69/1018065169.db2.gz JVSRMGWRUJDEQL-SFYZADRCSA-N -1 0 321.376 -0.280 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)C(=O)Nc1ccc(C(N)=O)nc1)C1CC1 ZINC001602814390 1018067004 /nfs/dbraw/zinc/06/70/04/1018067004.db2.gz LMTJUYKURRETAN-SSDOTTSWSA-N -1 0 320.305 -0.417 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001602800506 1018067330 /nfs/dbraw/zinc/06/73/30/1018067330.db2.gz DLVUQOFYUPYOFU-SBMIAAHKSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC001602821587 1018067365 /nfs/dbraw/zinc/06/73/65/1018067365.db2.gz HQGRBNSXIIDSFI-QMMMGPOBSA-N -1 0 313.401 -0.951 20 0 DBADRM C[C@@H](C(=O)[O-])N(Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C1CC1 ZINC001602821915 1018067600 /nfs/dbraw/zinc/06/76/00/1018067600.db2.gz VNDRLHJUIURVGG-ZETCQYMHSA-N -1 0 321.337 -0.602 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001602847890 1018069134 /nfs/dbraw/zinc/06/91/34/1018069134.db2.gz ZOBXZRWKHJMBLO-NHYWBVRUSA-N -1 0 314.382 -0.361 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001602847712 1018069469 /nfs/dbraw/zinc/06/94/69/1018069469.db2.gz QTGZUCXCKQRYKU-VIFPVBQESA-N -1 0 313.354 -0.802 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001602851808 1018070576 /nfs/dbraw/zinc/07/05/76/1018070576.db2.gz CEPXXNHULTZNKR-UFBFGSQYSA-N -1 0 307.368 -0.601 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)c1csc(=O)[nH]1 ZINC001499325641 1018075130 /nfs/dbraw/zinc/07/51/30/1018075130.db2.gz VSYBZQCGABCRKX-UHFFFAOYSA-N -1 0 310.339 -0.275 20 0 DBADRM CC(C)(C)n1nnc(CN[C@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001602928555 1018076898 /nfs/dbraw/zinc/07/68/98/1018076898.db2.gz AIXDCGGUWANEDA-JTQLQIEISA-N -1 0 324.385 -0.017 20 0 DBADRM CC(C)(C)n1nnc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)n1 ZINC001602928868 1018077532 /nfs/dbraw/zinc/07/75/32/1018077532.db2.gz JZJHZYJYGFXFBP-ZETCQYMHSA-N -1 0 311.298 -0.730 20 0 DBADRM CC(=O)N[C@H]1CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001602939254 1018083914 /nfs/dbraw/zinc/08/39/14/1018083914.db2.gz MAAUCOWCFAWBKY-VHSXEESVSA-N -1 0 302.342 -0.062 20 0 DBADRM C/C(=C/C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1)C1CC1 ZINC001602952508 1018084818 /nfs/dbraw/zinc/08/48/18/1018084818.db2.gz GWRZXLQKCZFQJI-DEVGMALJSA-N -1 0 322.361 -0.247 20 0 DBADRM CC(=O)c1c[nH]c(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c1 ZINC001602963057 1018085240 /nfs/dbraw/zinc/08/52/40/1018085240.db2.gz ZLKRRXIQELWNHN-UHFFFAOYSA-N -1 0 315.297 -0.581 20 0 DBADRM CC(C)(CO)N1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001602948442 1018085644 /nfs/dbraw/zinc/08/56/44/1018085644.db2.gz FBZZWKVPSGZMFL-CQSZACIVSA-N -1 0 300.355 -0.465 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N(C)Cc1nnc2c(=O)[nH]ccn12 ZINC001602961150 1018085848 /nfs/dbraw/zinc/08/58/48/1018085848.db2.gz QCVJPPBXGSLBRT-SECBINFHSA-N -1 0 307.310 -0.267 20 0 DBADRM C/C(=C/C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1)C1CC1 ZINC001602952510 1018086102 /nfs/dbraw/zinc/08/61/02/1018086102.db2.gz GWRZXLQKCZFQJI-LYWJNLOJSA-N -1 0 322.361 -0.247 20 0 DBADRM CC(C)(CNC(N)=O)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001602948615 1018086166 /nfs/dbraw/zinc/08/61/66/1018086166.db2.gz JQWKRKNJPBBDMQ-UHFFFAOYSA-N -1 0 316.358 -0.386 20 0 DBADRM C/C(=C\C(=O)NCCn1cc(C(=O)[O-])nn1)CN1CCOCC1 ZINC001602952278 1018086502 /nfs/dbraw/zinc/08/65/02/1018086502.db2.gz AZRJDSDBQBBNAK-DHZHZOJOSA-N -1 0 323.353 -0.629 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N(C)Cc1nnc2c(=O)n(C)ccn12 ZINC001602961472 1018087293 /nfs/dbraw/zinc/08/72/93/1018087293.db2.gz ZGRQMWNLHVNEQR-SNVBAGLBSA-N -1 0 321.337 -0.257 20 0 DBADRM CC(C)[C@H](C(=O)OCC(=O)C(=O)[O-])N1CCCS1(=O)=O ZINC001602974574 1018088466 /nfs/dbraw/zinc/08/84/66/1018088466.db2.gz JXOKZLFRHFXUGD-SECBINFHSA-N -1 0 307.324 -0.757 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001602970544 1018090302 /nfs/dbraw/zinc/09/03/02/1018090302.db2.gz XYTGACMGKBKBRE-JTQLQIEISA-N -1 0 321.337 -0.557 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)OCC(=O)N1CCC(C(N)=O)CC1 ZINC001602970879 1018091105 /nfs/dbraw/zinc/09/11/05/1018091105.db2.gz XKTOWNCHRNUUOL-NSHDSACASA-N -1 0 314.338 -0.390 20 0 DBADRM CC(C)[C@@H](CNC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001602977894 1018091411 /nfs/dbraw/zinc/09/14/11/1018091411.db2.gz JZJWHZUPOSOIKN-SNVBAGLBSA-N -1 0 306.384 -0.810 20 0 DBADRM CC(C)[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001602977893 1018091431 /nfs/dbraw/zinc/09/14/31/1018091431.db2.gz JZJWHZUPOSOIKN-JTQLQIEISA-N -1 0 306.384 -0.810 20 0 DBADRM C/C(=C/CNC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC001602971734 1018091817 /nfs/dbraw/zinc/09/18/17/1018091817.db2.gz CYNSNSAWQXMERA-PNEDHVDMSA-N -1 0 313.354 -0.048 20 0 DBADRM C[C@H](C(=O)N1C[C@@H](O)CC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001603004498 1018092490 /nfs/dbraw/zinc/09/24/90/1018092490.db2.gz GJCLFOBZNFOMSW-HLTSFMKQSA-N -1 0 306.330 -0.609 20 0 DBADRM C[C@@H](C(=O)N(CCO)CC1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001602990676 1018093907 /nfs/dbraw/zinc/09/39/07/1018093907.db2.gz MLXYRRKKXOIWMJ-QMMMGPOBSA-N -1 0 306.330 -0.750 20 0 DBADRM CC(C)[C@](C)(NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(N)=O ZINC001603004898 1018093998 /nfs/dbraw/zinc/09/39/98/1018093998.db2.gz IAYHKYLKHNQZMP-MADCSZMMSA-N -1 0 321.345 -0.965 20 0 DBADRM CC(=O)N(C)CC(=O)NCCCNc1ncc(C(=O)[O-])cn1 ZINC001603004934 1018094120 /nfs/dbraw/zinc/09/41/20/1018094120.db2.gz HYQNOCCJCXWXEF-UHFFFAOYSA-N -1 0 309.326 -0.429 20 0 DBADRM C[C@H](C(=O)N1CCC[C@](C)(O)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001602999231 1018094300 /nfs/dbraw/zinc/09/43/00/1018094300.db2.gz FVYJZHVUIBSRIG-PELKAZGASA-N -1 0 306.330 -0.607 20 0 DBADRM CC(C)[C@H](O)CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001602993991 1018095331 /nfs/dbraw/zinc/09/53/31/1018095331.db2.gz URRXALIOSVSNIG-WDEREUQCSA-N -1 0 315.370 -0.232 20 0 DBADRM CC(C)[C@](C)(CO)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001603004157 1018095399 /nfs/dbraw/zinc/09/53/99/1018095399.db2.gz BIBUBKBATIATRL-PELKAZGASA-N -1 0 308.346 -0.458 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@](C)(O)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001602999235 1018095944 /nfs/dbraw/zinc/09/59/44/1018095944.db2.gz FVYJZHVUIBSRIG-QPUJVOFHSA-N -1 0 306.330 -0.607 20 0 DBADRM C[C@H](C(=O)NC[C@@]1(C)CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603012694 1018096651 /nfs/dbraw/zinc/09/66/51/1018096651.db2.gz NNNAVTRDAFFUND-PRHODGIISA-N -1 0 306.330 -0.438 20 0 DBADRM C[C@@H](C(=O)NCCOC(=O)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603017700 1018098450 /nfs/dbraw/zinc/09/84/50/1018098450.db2.gz WHAGHNPFYZYELE-ZETCQYMHSA-N -1 0 320.313 -0.911 20 0 DBADRM C[C@H](C(=O)NC[C@H](CO)CC1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603010161 1018098527 /nfs/dbraw/zinc/09/85/27/1018098527.db2.gz TXFKJKMHOLFVEX-PSASIEDQSA-N -1 0 320.357 -0.456 20 0 DBADRM C[C@@H](C(=O)NCC(=O)OCC1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603009302 1018098720 /nfs/dbraw/zinc/09/87/20/1018098720.db2.gz AFQNOEYZOPRMSK-ZETCQYMHSA-N -1 0 320.313 -0.911 20 0 DBADRM CC(=O)N1CCC(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001603016000 1018100155 /nfs/dbraw/zinc/10/01/55/1018100155.db2.gz FWBREBVQRBARPP-SNVBAGLBSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H](C(=O)NCCC1CCOCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603014695 1018100751 /nfs/dbraw/zinc/10/07/51/1018100751.db2.gz FIKZQTFAFZGXNO-SECBINFHSA-N -1 0 320.357 -0.048 20 0 DBADRM C[C@@H](C(=O)NCCc1ccco1)n1cnc(-c2nnn[n-]2)n1 ZINC001603015718 1018100853 /nfs/dbraw/zinc/10/08/53/1018100853.db2.gz BESIHXUGFJLWSN-QMMMGPOBSA-N -1 0 302.298 -0.029 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001603030551 1018102170 /nfs/dbraw/zinc/10/21/70/1018102170.db2.gz LXZPHVWOLYHATH-SECBINFHSA-N -1 0 313.339 -0.986 20 0 DBADRM CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001603031053 1018103039 /nfs/dbraw/zinc/10/30/39/1018103039.db2.gz BNTSAWMHHMCVHG-WFASDCNBSA-N -1 0 306.318 -0.084 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001603030552 1018103615 /nfs/dbraw/zinc/10/36/15/1018103615.db2.gz LXZPHVWOLYHATH-VIFPVBQESA-N -1 0 313.339 -0.986 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC001603025656 1018103739 /nfs/dbraw/zinc/10/37/39/1018103739.db2.gz ITWGFUQNCIRSBY-NEPJUHHUSA-N -1 0 313.354 -0.526 20 0 DBADRM CC(=O)N1CCC[C@@H](N(CCO)c2ccnc(C(=O)[O-])n2)C1 ZINC001603020741 1018104329 /nfs/dbraw/zinc/10/43/29/1018104329.db2.gz QERGARZWXFFCTB-LLVKDONJSA-N -1 0 308.338 -0.016 20 0 DBADRM CC(C)CN1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)[C@H](C)C1=O ZINC001603029139 1018105973 /nfs/dbraw/zinc/10/59/73/1018105973.db2.gz JJBVSHFALRCELW-KOLCDFICSA-N -1 0 311.338 -0.069 20 0 DBADRM CC(C)CN(CC(N)=O)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603025744 1018106155 /nfs/dbraw/zinc/10/61/55/1018106155.db2.gz OKKMXQIVJHNGPY-UHFFFAOYSA-N -1 0 309.322 -0.484 20 0 DBADRM CC(=O)N1CCO[C@H](C(=O)N2CCSC[C@@H]2CC(=O)[O-])C1 ZINC001603026038 1018106958 /nfs/dbraw/zinc/10/69/58/1018106958.db2.gz NZGIZKINGGCTPL-QWRGUYRKSA-N -1 0 316.379 -0.348 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1 ZINC001603040538 1018110120 /nfs/dbraw/zinc/11/01/20/1018110120.db2.gz VXYWSBJGGBXJGX-GHMZBOCLSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@@H](C(=O)OCc1nccn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001603036065 1018110370 /nfs/dbraw/zinc/11/03/70/1018110370.db2.gz BWCWWIVUWHRSCS-ZETCQYMHSA-N -1 0 303.286 -0.504 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001603042431 1018110935 /nfs/dbraw/zinc/11/09/35/1018110935.db2.gz KGDLEAZVOPMGQM-SNVBAGLBSA-N -1 0 323.353 -0.088 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC001603042719 1018111001 /nfs/dbraw/zinc/11/10/01/1018111001.db2.gz OQXKGQPZKTZRBJ-UHFFFAOYSA-N -1 0 313.335 -0.054 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001603035957 1018111215 /nfs/dbraw/zinc/11/12/15/1018111215.db2.gz XYTGHVHURQNDRI-WCBMZHEXSA-N -1 0 309.326 -0.336 20 0 DBADRM CC(=O)NCC(=O)NCc1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001603043049 1018112578 /nfs/dbraw/zinc/11/25/78/1018112578.db2.gz ZEBCGZDNDXRNJR-UHFFFAOYSA-N -1 0 308.250 -0.220 20 0 DBADRM CC(C)(C(N)=O)N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001603051648 1018113697 /nfs/dbraw/zinc/11/36/97/1018113697.db2.gz SMIWLGFMRKDZKB-UHFFFAOYSA-N -1 0 317.357 -0.957 20 0 DBADRM CC(=O)NC[C@H]1CCCN(C(=O)NCCOCC(=O)[O-])C1 ZINC001603046864 1018114577 /nfs/dbraw/zinc/11/45/77/1018114577.db2.gz QSSJDJAEFXHVFB-LLVKDONJSA-N -1 0 301.343 -0.355 20 0 DBADRM CC(=O)N[C@@H](CSCCC(=O)N1CCN(C)CC1)C(=O)[O-] ZINC001603056792 1018114868 /nfs/dbraw/zinc/11/48/68/1018114868.db2.gz OSKJCSYKKATAAK-NSHDSACASA-N -1 0 317.411 -0.527 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001603108439 1018117782 /nfs/dbraw/zinc/11/77/82/1018117782.db2.gz NSGKZNCKVMOIRD-UHFFFAOYSA-N -1 0 311.371 -0.296 20 0 DBADRM CC(C)n1ncc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1N ZINC001603114938 1018118788 /nfs/dbraw/zinc/11/87/88/1018118788.db2.gz DXMVSEQBTNCQEZ-UHFFFAOYSA-N -1 0 309.326 -0.585 20 0 DBADRM CC(=O)Nc1ccncc1NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001603083723 1018119454 /nfs/dbraw/zinc/11/94/54/1018119454.db2.gz HSVPCLDJVHFALF-UHFFFAOYSA-N -1 0 303.278 -0.005 20 0 DBADRM CC(C)NS(=O)(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603075384 1018119778 /nfs/dbraw/zinc/11/97/78/1018119778.db2.gz REHWPLZLIGQULN-VIFPVBQESA-N -1 0 307.372 -0.716 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)N[C@H]2CNC(=O)C2)c(C(=O)[O-])c1C ZINC001603093399 1018119980 /nfs/dbraw/zinc/11/99/80/1018119980.db2.gz JPSOBCUXYURVLT-MRVPVSSYSA-N -1 0 307.306 -0.229 20 0 DBADRM CC(=O)c1cncc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC001603123485 1018122964 /nfs/dbraw/zinc/12/29/64/1018122964.db2.gz DXJZPRCRBWXDBV-NSHDSACASA-N -1 0 305.290 -0.301 20 0 DBADRM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001603134225 1018123374 /nfs/dbraw/zinc/12/33/74/1018123374.db2.gz SXCQIFTWZPFSIZ-KOLCDFICSA-N -1 0 322.365 -0.126 20 0 DBADRM CC(=O)c1cncc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c1 ZINC001603124352 1018123778 /nfs/dbraw/zinc/12/37/78/1018123778.db2.gz YETZSEMFOZNJON-NSHDSACASA-N -1 0 305.290 -0.348 20 0 DBADRM CC(C)(C)n1nnnc1COc1cnc(-c2nnn[n-]2)nc1 ZINC001603135515 1018123886 /nfs/dbraw/zinc/12/38/86/1018123886.db2.gz QCCLGLOBIXOFDH-UHFFFAOYSA-N -1 0 302.302 -0.023 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N(C)CC(=O)NC(C)(C)C)C(=O)[O-] ZINC001603145692 1018126413 /nfs/dbraw/zinc/12/64/13/1018126413.db2.gz UXINQIOIAQCTLH-VIFPVBQESA-N -1 0 315.370 -0.461 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1=O ZINC001603145252 1018126925 /nfs/dbraw/zinc/12/69/25/1018126925.db2.gz ODGMYIDCNYKRAH-NXEZZACHSA-N -1 0 313.354 -0.709 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])c1cnn(C)c1 ZINC001603145655 1018127741 /nfs/dbraw/zinc/12/77/41/1018127741.db2.gz HHLZIYAAOMBBMP-KOLCDFICSA-N -1 0 308.338 -0.285 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@@H](C)c1nnnn1C1CC1)C(=O)[O-] ZINC001603145288 1018128482 /nfs/dbraw/zinc/12/84/82/1018128482.db2.gz ORCVHQKIWFCFMP-SFYZADRCSA-N -1 0 324.341 -0.636 20 0 DBADRM C[C@H](CCO)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603143182 1018128585 /nfs/dbraw/zinc/12/85/85/1018128585.db2.gz VAFKZNHMEIFZPI-NXEZZACHSA-N -1 0 301.343 -0.478 20 0 DBADRM C[C@H](C(=O)N1CCOC[C@H]1C(=O)[O-])n1nnnc1C(C)(C)C ZINC001603148036 1018129830 /nfs/dbraw/zinc/12/98/30/1018129830.db2.gz KFJKORODSNUQCP-BDAKNGLRSA-N -1 0 311.342 -0.156 20 0 DBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccnn1C)[C@@H](C)S(C)(=O)=O ZINC001603152234 1018129882 /nfs/dbraw/zinc/12/98/82/1018129882.db2.gz AFRIJIBVEFEJHD-XKSSXDPKSA-N -1 0 317.367 -0.269 20 0 DBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccnn1C)[C@H](C)S(C)(=O)=O ZINC001603152215 1018129976 /nfs/dbraw/zinc/12/99/76/1018129976.db2.gz AFRIJIBVEFEJHD-NRPADANISA-N -1 0 317.367 -0.269 20 0 DBADRM C[C@H](CN(C)C(=O)NCC1(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC001603149981 1018132349 /nfs/dbraw/zinc/13/23/49/1018132349.db2.gz FYRLKRNHIXJCIA-SECBINFHSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@@H](C(=O)NCC1(C(=O)[O-])CC1)n1cnc2c1ncnc2N ZINC001603164377 1018136378 /nfs/dbraw/zinc/13/63/78/1018136378.db2.gz PBPZQVQAYZTPQN-ZETCQYMHSA-N -1 0 304.310 -0.050 20 0 DBADRM C[C@@H](C(=O)NCc1ncc(C(=O)[O-])s1)N1C(=O)CCC1=O ZINC001603172851 1018138640 /nfs/dbraw/zinc/13/86/40/1018138640.db2.gz BKKIHHSENDGGQQ-LURJTMIESA-N -1 0 311.319 -0.005 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCn2nc(C3CC3)cc2C1)C(=O)[O-] ZINC001603166666 1018138753 /nfs/dbraw/zinc/13/87/53/1018138753.db2.gz RKMOBTTYSZZAEM-VIFPVBQESA-N -1 0 320.349 -0.060 20 0 DBADRM C[C@H](CNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C)C1)C(=O)[O-] ZINC001603175458 1018140849 /nfs/dbraw/zinc/14/08/49/1018140849.db2.gz NOPZGUUACPNOED-LNLATYFQSA-N -1 0 304.368 -0.217 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H](C)n1cccn1 ZINC001603173986 1018140929 /nfs/dbraw/zinc/14/09/29/1018140929.db2.gz XJNDBFVSSIVBQG-UWVGGRQHSA-N -1 0 318.337 -0.029 20 0 DBADRM C[C@H](CNC(=O)NC[C@@]12COC(=O)N1CCOC2)C(=O)[O-] ZINC001603176396 1018141264 /nfs/dbraw/zinc/14/12/64/1018141264.db2.gz DFRGNJXPCWYGNP-PRHODGIISA-N -1 0 301.299 -0.773 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCN1CCOC(C)(C)C1)C(=O)[O-] ZINC001603166484 1018142556 /nfs/dbraw/zinc/14/25/56/1018142556.db2.gz KQIXVDBXHSJXHX-JTQLQIEISA-N -1 0 315.370 -0.950 20 0 DBADRM C[C@@H](NC(=O)COC(=O)C1(CC(=O)[O-])CCC1)C(=O)N(C)C ZINC001603220335 1018146248 /nfs/dbraw/zinc/14/62/48/1018146248.db2.gz MKZHXCXPKYFHDK-SECBINFHSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@H](NC(=O)CN[C@H](Cc1ccccc1)C(=O)[O-])C(=O)N(C)C ZINC001603220406 1018146299 /nfs/dbraw/zinc/14/62/99/1018146299.db2.gz NNHPIONHWBOKQV-WCQYABFASA-N -1 0 321.377 -0.135 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1cnn(C)c1 ZINC001603210308 1018146733 /nfs/dbraw/zinc/14/67/33/1018146733.db2.gz GGEPZVUUROIUJN-VHSXEESVSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)C1(S(C)(=O)=O)CC1 ZINC001603215659 1018148154 /nfs/dbraw/zinc/14/81/54/1018148154.db2.gz JQQGCWWGLNBYHO-QPUJVOFHSA-N -1 0 305.352 -0.298 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C1(S(C)(=O)=O)CC1 ZINC001603218847 1018148720 /nfs/dbraw/zinc/14/87/20/1018148720.db2.gz JHHSGTUBJCCFLL-SVRRBLITSA-N -1 0 304.324 -0.702 20 0 DBADRM C[C@H](NC(=O)NCCOCCOCC(=O)[O-])c1ncn(C)n1 ZINC001603232495 1018151955 /nfs/dbraw/zinc/15/19/55/1018151955.db2.gz HFIGRISGGKPBSJ-VIFPVBQESA-N -1 0 315.330 -0.707 20 0 DBADRM CCC(=O)NC[C@](C)(NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001499672560 1018154243 /nfs/dbraw/zinc/15/42/43/1018154243.db2.gz VZSDKJKGPPAASW-ZDUSSCGKSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001603266237 1018155420 /nfs/dbraw/zinc/15/54/20/1018155420.db2.gz RJNQFOCPKKSIMC-JTQLQIEISA-N -1 0 316.354 -0.787 20 0 DBADRM CCC(=O)NC[C@@](C)(NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001499672559 1018155372 /nfs/dbraw/zinc/15/53/72/1018155372.db2.gz VZSDKJKGPPAASW-CYBMUJFWSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1ccc(Cl)cn1)C(=O)[O-] ZINC001603256929 1018156304 /nfs/dbraw/zinc/15/63/04/1018156304.db2.gz WMLYSUCVCDPHLX-NSHDSACASA-N -1 0 301.686 -0.375 20 0 DBADRM CC(C)(C(=O)OCc1noc(CCC(=O)[O-])n1)S(C)(=O)=O ZINC001603293430 1018158229 /nfs/dbraw/zinc/15/82/29/1018158229.db2.gz IFJLCRXNRPVTEQ-UHFFFAOYSA-N -1 0 320.323 -0.047 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001603292527 1018159051 /nfs/dbraw/zinc/15/90/51/1018159051.db2.gz GJIIFAYBCHUIDI-ISVAXAHUSA-N -1 0 323.309 -0.534 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)N2CC[C@@H](O)C2)cn1 ZINC001603282145 1018159119 /nfs/dbraw/zinc/15/91/19/1018159119.db2.gz FUCXEJAQVQPLSM-SECBINFHSA-N -1 0 310.310 -0.766 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@@H]1C[C@H](C)O)C(=O)[O-] ZINC001603266457 1018159598 /nfs/dbraw/zinc/15/95/98/1018159598.db2.gz WMPWNFFVBRBQJV-OUAUKWLOSA-N -1 0 300.355 -0.073 20 0 DBADRM C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001603266456 1018160183 /nfs/dbraw/zinc/16/01/83/1018160183.db2.gz WMPWNFFVBRBQJV-GARJFASQSA-N -1 0 300.355 -0.073 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC001603271933 1018160256 /nfs/dbraw/zinc/16/02/56/1018160256.db2.gz JVSJYTOJZAGSDR-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@H](O)[C@@H]1CCCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001603266470 1018160591 /nfs/dbraw/zinc/16/05/91/1018160591.db2.gz WXMPLRDMNPIBHB-VXGBXAGGSA-N -1 0 318.370 -0.093 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)N2CCCOCC2)cn1 ZINC001603281888 1018160753 /nfs/dbraw/zinc/16/07/53/1018160753.db2.gz ZUSHMZBNZKSCMS-UHFFFAOYSA-N -1 0 324.337 -0.110 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)C1 ZINC001603296937 1018162393 /nfs/dbraw/zinc/16/23/93/1018162393.db2.gz BHAFTLGDWMRPEQ-GJZGRUSLSA-N -1 0 323.349 -0.952 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001603301771 1018163908 /nfs/dbraw/zinc/16/39/08/1018163908.db2.gz QLZKQANBUZHURZ-CYBMUJFWSA-N -1 0 305.294 -0.786 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)C1 ZINC001603297384 1018163924 /nfs/dbraw/zinc/16/39/24/1018163924.db2.gz SUBMTBJUUIZSQE-LKFCYVNXSA-N -1 0 311.338 -0.967 20 0 DBADRM CC1(C)C(=O)NCCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603309514 1018164035 /nfs/dbraw/zinc/16/40/35/1018164035.db2.gz BQPPSVMHVRCSKP-UHFFFAOYSA-N -1 0 307.306 -0.717 20 0 DBADRM CC1(C)[C@@H](O)C[C@@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603314769 1018165941 /nfs/dbraw/zinc/16/59/41/1018165941.db2.gz OMFNPTZYLIRVTE-YUMQZZPRSA-N -1 0 310.310 -0.818 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC001603320977 1018166588 /nfs/dbraw/zinc/16/65/88/1018166588.db2.gz OMWUDVGCDIIXLO-BKQRNIBNSA-N -1 0 323.349 -0.018 20 0 DBADRM CC1(C)C[C@@H](NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC001603315292 1018166747 /nfs/dbraw/zinc/16/67/47/1018166747.db2.gz AUUKSNSSLQOMAD-UWVGGRQHSA-N -1 0 314.338 -0.628 20 0 DBADRM CC(=O)N1CCC(CCNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001499740183 1018168831 /nfs/dbraw/zinc/16/88/31/1018168831.db2.gz JXIWNHVVUJONGJ-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM C[C@@]1(NC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CCOC1 ZINC001603346034 1018169370 /nfs/dbraw/zinc/16/93/70/1018169370.db2.gz CLWFHCGRGPCDNQ-QMTHXVAHSA-N -1 0 313.354 -0.070 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)O1 ZINC001603336937 1018169589 /nfs/dbraw/zinc/16/95/89/1018169589.db2.gz ZGTQWXSYKFPHQG-SNVBAGLBSA-N -1 0 314.338 -0.423 20 0 DBADRM CC(C)(C)OC(=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001603351573 1018170062 /nfs/dbraw/zinc/17/00/62/1018170062.db2.gz XHGDSWBFBILLFP-QMMMGPOBSA-N -1 0 300.311 -0.480 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001603352178 1018170607 /nfs/dbraw/zinc/17/06/07/1018170607.db2.gz JLWMWCUKCYYFTD-HBNTYKKESA-N -1 0 311.338 -0.116 20 0 DBADRM CC1(C)[C@@H](NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CS1(=O)=O ZINC001603336554 1018171432 /nfs/dbraw/zinc/17/14/32/1018171432.db2.gz LUAIIDYEVWMBIA-GUBZILKMSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@]1(NC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CCOC1 ZINC001603346031 1018171647 /nfs/dbraw/zinc/17/16/47/1018171647.db2.gz CLWFHCGRGPCDNQ-HZMBPMFUSA-N -1 0 313.354 -0.070 20 0 DBADRM C[C@]12CN(C(=O)c3ccc(C(=O)[O-])nc3)C[C@]1(C)C(=O)NC2=O ZINC001603347661 1018171804 /nfs/dbraw/zinc/17/18/04/1018171804.db2.gz CNWOXEICVLSWPP-HUUCEWRRSA-N -1 0 317.301 -0.095 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCOC1 ZINC001603339683 1018172173 /nfs/dbraw/zinc/17/21/73/1018172173.db2.gz HZBZBFSVTLVCLA-ZDUSSCGKSA-N -1 0 310.310 -0.551 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCc2cnccn2)C1 ZINC001603355104 1018173883 /nfs/dbraw/zinc/17/38/83/1018173883.db2.gz NTQSAOWSCNUZMI-GHMZBOCLSA-N -1 0 320.349 -0.296 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001603354003 1018173953 /nfs/dbraw/zinc/17/39/53/1018173953.db2.gz DXIBRAGBHLUPDQ-IDKOKCKLSA-N -1 0 311.338 -0.907 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cn(C)cn2)C1 ZINC001603355412 1018173984 /nfs/dbraw/zinc/17/39/84/1018173984.db2.gz RGVDEXNYPMGFJN-NXEZZACHSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nccn2C)C1 ZINC001603355400 1018175373 /nfs/dbraw/zinc/17/53/73/1018175373.db2.gz QYPZUOWXFUUBOJ-NXEZZACHSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CN(C)S(=O)(=O)N(C)C ZINC001603380289 1018176205 /nfs/dbraw/zinc/17/62/05/1018176205.db2.gz FHQXNDCQGHRBCD-ZJUUUORDSA-N -1 0 321.399 -0.564 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2nnnn2CCN2CCOCC2)C1 ZINC001603372000 1018177663 /nfs/dbraw/zinc/17/76/63/1018177663.db2.gz KNWMPWYUPCSJQV-NWDGAFQWSA-N -1 0 324.385 -0.448 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCS1(=O)=O ZINC001603374361 1018178734 /nfs/dbraw/zinc/17/87/34/1018178734.db2.gz BXPFQOVCJJISPF-FJXKBIBVSA-N -1 0 304.324 -0.702 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CN(C)S(=O)(=O)N(C)C ZINC001603380288 1018178986 /nfs/dbraw/zinc/17/89/86/1018178986.db2.gz FHQXNDCQGHRBCD-VHSXEESVSA-N -1 0 321.399 -0.564 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)N1CCN(C)CC1 ZINC001603390966 1018180675 /nfs/dbraw/zinc/18/06/75/1018180675.db2.gz DWMFBHKNRPOGGI-MNOVXSKESA-N -1 0 305.400 -0.336 20 0 DBADRM C[C@@H]1CCCN(C(=O)[C@@H]2CCN=C3C2=NNN3C)[C@@H]1C(=O)[O-] ZINC001603406946 1018181264 /nfs/dbraw/zinc/18/12/64/1018181264.db2.gz DQOMBLZAZTXYBH-KKZNHRDASA-N -1 0 307.354 -0.078 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)C[C@H]2CN(C)CCO2)[C@H]1C(=O)[O-] ZINC001603415073 1018181318 /nfs/dbraw/zinc/18/13/18/1018181318.db2.gz VQEVFSIQGYVQHL-IJLUTSLNSA-N -1 0 320.411 -0.168 20 0 DBADRM CN(C(=O)CCN1CCCC1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001499792872 1018182965 /nfs/dbraw/zinc/18/29/65/1018182965.db2.gz WIWAYZFBQDZDND-UHFFFAOYSA-N -1 0 322.369 -0.835 20 0 DBADRM C[C@@H]1CCN(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1 ZINC001603426967 1018183917 /nfs/dbraw/zinc/18/39/17/1018183917.db2.gz OPRJBFIOWDASNR-NXEZZACHSA-N -1 0 304.368 -0.962 20 0 DBADRM C[C@H]1CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCN1C ZINC001603440919 1018184642 /nfs/dbraw/zinc/18/46/42/1018184642.db2.gz VWSDZNJWGDOZAK-JTQLQIEISA-N -1 0 318.395 -0.572 20 0 DBADRM CC(C)(C)OC(=O)NC1(C(=O)N[C@H](CO)C(=O)[O-])CCC1 ZINC001603444620 1018184949 /nfs/dbraw/zinc/18/49/49/1018184949.db2.gz QBAOTIVXCBJRRI-MRVPVSSYSA-N -1 0 302.327 -0.005 20 0 DBADRM C[C@@H]1CCN(c2nnc([C@@]3(O)CCOC3)n2C)C[C@H]1C(=O)[O-] ZINC001603434390 1018185087 /nfs/dbraw/zinc/18/50/87/1018185087.db2.gz PVBZMQWSEBJVAI-GPCCPHFNSA-N -1 0 310.354 -0.030 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(=O)[O-])CC2(CCOCC2)O1 ZINC001603439198 1018185222 /nfs/dbraw/zinc/18/52/22/1018185222.db2.gz KBRJZTARCVRPSO-SNVBAGLBSA-N -1 0 314.338 -0.626 20 0 DBADRM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001603434556 1018185615 /nfs/dbraw/zinc/18/56/15/1018185615.db2.gz SEHKEWOVWWXHOR-SKDRFNHKSA-N -1 0 320.349 -0.169 20 0 DBADRM C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[C@@H]1C(=O)[O-] ZINC001603443632 1018185646 /nfs/dbraw/zinc/18/56/46/1018185646.db2.gz WZPFKFWXYYRUFD-ZJUUUORDSA-N -1 0 309.322 -0.504 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCN(C)CC2)CC[C@@H]1C(=O)[O-] ZINC001603463416 1018187656 /nfs/dbraw/zinc/18/76/56/1018187656.db2.gz BMEMZOSVSHSFNR-MNOVXSKESA-N -1 0 305.400 -0.479 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(CC(=O)[O-])nn2)CC2(CCOCC2)O1 ZINC001603454458 1018187772 /nfs/dbraw/zinc/18/77/72/1018187772.db2.gz RVWDHMMOEKXLQT-SNVBAGLBSA-N -1 0 324.337 -0.227 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001603449054 1018188740 /nfs/dbraw/zinc/18/87/40/1018188740.db2.gz JHOLFKGTMMRUGV-MRVPVSSYSA-N -1 0 315.326 -0.687 20 0 DBADRM C[C@@H]1CN(CCS(=O)(=O)CC(=O)[O-])CC2(CCOCC2)O1 ZINC001603462253 1018189476 /nfs/dbraw/zinc/18/94/76/1018189476.db2.gz ZKWOHVGTBGHWAU-LLVKDONJSA-N -1 0 321.395 -0.244 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@@H](O)CC(=O)[O-] ZINC001603452633 1018189797 /nfs/dbraw/zinc/18/97/97/1018189797.db2.gz QJMYYCMIDWTTAP-BDAKNGLRSA-N -1 0 320.342 -0.786 20 0 DBADRM C[C@@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)C[C@H](CO)O1 ZINC001603454184 1018190376 /nfs/dbraw/zinc/19/03/76/1018190376.db2.gz QNGIBDXHJUJEGT-NXEZZACHSA-N -1 0 310.306 -0.845 20 0 DBADRM C[C@@H]1NC(=O)N(CCOC(=O)c2ccc(C(=O)[O-])cn2)C1=O ZINC001603480647 1018191498 /nfs/dbraw/zinc/19/14/98/1018191498.db2.gz ZBKWTZCIKNUHJR-ZETCQYMHSA-N -1 0 307.262 -0.123 20 0 DBADRM C[C@H]1SCC[C@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603480156 1018192065 /nfs/dbraw/zinc/19/20/65/1018192065.db2.gz QRWHGOOCIOBHTM-HTQZYQBOSA-N -1 0 312.351 -0.084 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC[S@](=O)C1 ZINC001603464851 1018192398 /nfs/dbraw/zinc/19/23/98/1018192398.db2.gz ZJDIZPQFADBUAS-GJPGNPISSA-N -1 0 324.424 -0.519 20 0 DBADRM C[C@@H]1SCC[C@@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603480159 1018192862 /nfs/dbraw/zinc/19/28/62/1018192862.db2.gz QRWHGOOCIOBHTM-YUMQZZPRSA-N -1 0 312.351 -0.084 20 0 DBADRM C[C@@H]1OCC[C@@H]1c1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1 ZINC001603479662 1018193830 /nfs/dbraw/zinc/19/38/30/1018193830.db2.gz HSKPNASFEIAKJD-BQBZGAKWSA-N -1 0 322.277 -0.024 20 0 DBADRM CC[C@@H](C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)C(=O)OC ZINC001603487728 1018193906 /nfs/dbraw/zinc/19/39/06/1018193906.db2.gz AHIKKVRDCXISFA-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001603480404 1018194132 /nfs/dbraw/zinc/19/41/32/1018194132.db2.gz UMCVFHSAOQBBAF-GMOBBJLQSA-N -1 0 305.352 -0.473 20 0 DBADRM C[C@@H](CNC(=O)CC(C)(C)O)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001603527889 1018195837 /nfs/dbraw/zinc/19/58/37/1018195837.db2.gz GTPVOXPRMFEDOA-QMMMGPOBSA-N -1 0 320.357 -0.844 20 0 DBADRM CC[C@H](CNC(=O)N1CCO[C@H](CNC(C)=O)C1)C(=O)[O-] ZINC001603556701 1018204550 /nfs/dbraw/zinc/20/45/50/1018204550.db2.gz LAMXXFVIJQUKLR-GHMZBOCLSA-N -1 0 301.343 -0.356 20 0 DBADRM CC[C@@H](C(=O)OC)C(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001603504692 1018197898 /nfs/dbraw/zinc/19/78/98/1018197898.db2.gz LALRYFZYULGZCC-NOZJJQNGSA-N -1 0 303.311 -0.486 20 0 DBADRM CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)COCC(=O)[O-] ZINC001603513093 1018197846 /nfs/dbraw/zinc/19/78/46/1018197846.db2.gz VVKSCWFYZGFTJO-BDAKNGLRSA-N -1 0 304.368 -0.096 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001603521670 1018198912 /nfs/dbraw/zinc/19/89/12/1018198912.db2.gz BSWMVBFENUORPI-UHFFFAOYSA-N -1 0 307.368 -0.362 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)NCc2nc(C(=O)[O-])co2)n1 ZINC001603574361 1018204284 /nfs/dbraw/zinc/20/42/84/1018204284.db2.gz UHWTYOPMAKCFKS-UHFFFAOYSA-N -1 0 308.298 -0.027 20 0 DBADRM CC(C)(C)n1nnnc1N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001603575721 1018204920 /nfs/dbraw/zinc/20/49/20/1018204920.db2.gz DBKFNMXGBFYHEB-CQSZACIVSA-N -1 0 324.385 -0.206 20 0 DBADRM CC[C@H](CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)C(=O)[O-] ZINC001603565542 1018205180 /nfs/dbraw/zinc/20/51/80/1018205180.db2.gz BJRVROVBBOQHQI-XHNCKOQMSA-N -1 0 317.342 -0.537 20 0 DBADRM CC[C@H](CNC(=O)Nc1n[nH]nc1C(=O)NC1CC1)C(=O)[O-] ZINC001603565590 1018205901 /nfs/dbraw/zinc/20/59/01/1018205901.db2.gz DSZYYYMXDURZHQ-ZCFIWIBFSA-N -1 0 310.314 -0.071 20 0 DBADRM CC[C@@H](CNC(=O)NCCS(=O)(=O)NC(C)C)C(=O)[O-] ZINC001603561334 1018206151 /nfs/dbraw/zinc/20/61/51/1018206151.db2.gz LVTRWBMISDCNQR-VIFPVBQESA-N -1 0 309.388 -0.276 20 0 DBADRM CC[C@@H](CNC(=O)NC[C@]1(OCCO)CCOC1)C(=O)[O-] ZINC001603562249 1018206448 /nfs/dbraw/zinc/20/64/48/1018206448.db2.gz UMKCETWMWAKRPI-GXFFZTMASA-N -1 0 304.343 -0.436 20 0 DBADRM CC(C)(C)n1nnnc1CN1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001603574215 1018206673 /nfs/dbraw/zinc/20/66/73/1018206673.db2.gz LAYATWOINCHTCH-ZJUUUORDSA-N -1 0 322.369 -0.551 20 0 DBADRM CC[C@@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(C)(C)O ZINC001603578600 1018206694 /nfs/dbraw/zinc/20/66/94/1018206694.db2.gz RIEMUHDPBOKLQR-NXEZZACHSA-N -1 0 300.355 -0.025 20 0 DBADRM CC[C@H](CO)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001603574506 1018208057 /nfs/dbraw/zinc/20/80/57/1018208057.db2.gz DHMQGLXWTSEQKT-MNOVXSKESA-N -1 0 312.366 -0.071 20 0 DBADRM CC[C@@H](CO)N1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001603574498 1018208073 /nfs/dbraw/zinc/20/80/73/1018208073.db2.gz CUULMSCKEXSCNZ-LBPRGKRZSA-N -1 0 314.382 -0.217 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001603601082 1018209974 /nfs/dbraw/zinc/20/99/74/1018209974.db2.gz QQRQOMIUZPMCIQ-LBPRGKRZSA-N -1 0 306.384 -0.019 20 0 DBADRM CC[C@@H](O)CCCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603586087 1018210253 /nfs/dbraw/zinc/21/02/53/1018210253.db2.gz JGIICVWYOLTHKL-GHMZBOCLSA-N -1 0 300.355 -0.023 20 0 DBADRM CC(C)(CNC(=O)Cn1cc(C(=O)[O-])cn1)[C@]1(O)CCOC1 ZINC001603627290 1018213727 /nfs/dbraw/zinc/21/37/27/1018213727.db2.gz KKUDUHYXGVZAAA-AWEZNQCLSA-N -1 0 311.338 -0.125 20 0 DBADRM CCC[C@@H](O)[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001603633792 1018213830 /nfs/dbraw/zinc/21/38/30/1018213830.db2.gz NTYGHRWRXRCTPS-VXGBXAGGSA-N -1 0 324.333 -0.039 20 0 DBADRM CCC[C@H](O)[C@H](CO)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603633823 1018215216 /nfs/dbraw/zinc/21/52/16/1018215216.db2.gz PDKNGMFFXMTVLO-QWRGUYRKSA-N -1 0 312.322 -0.815 20 0 DBADRM CCCN(CC(=O)NC)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603660251 1018215986 /nfs/dbraw/zinc/21/59/86/1018215986.db2.gz DGQMYZMUEHJOSN-UHFFFAOYSA-N -1 0 309.322 -0.469 20 0 DBADRM CCCCC[C@H](O)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001603642183 1018216970 /nfs/dbraw/zinc/21/69/70/1018216970.db2.gz YHTDKBGXICTLAT-ZJUUUORDSA-N -1 0 307.368 -0.362 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCN(c2nc[nH]n2)CC1)C(=O)[O-] ZINC001603653582 1018216986 /nfs/dbraw/zinc/21/69/86/1018216986.db2.gz DIAULQZEOJQHLN-UHFFFAOYSA-N -1 0 317.371 -0.633 20 0 DBADRM CCCCN(CC(N)=O)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603647373 1018217590 /nfs/dbraw/zinc/21/75/90/1018217590.db2.gz JQJJWWFHRSMDKS-JTQLQIEISA-N -1 0 313.354 -0.576 20 0 DBADRM CC(C)(CO)N1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC001603653813 1018217837 /nfs/dbraw/zinc/21/78/37/1018217837.db2.gz UXNXYPWZAPTDMH-MNOVXSKESA-N -1 0 300.355 -0.466 20 0 DBADRM CC(C)(F)CNC(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001603667168 1018219556 /nfs/dbraw/zinc/21/95/56/1018219556.db2.gz QLXYEZMZBLKFIG-CYBMUJFWSA-N -1 0 315.301 -0.317 20 0 DBADRM CCCS(=O)(=O)NC1CCN(C(=O)[C@@H](OC)C(=O)[O-])CC1 ZINC001603681650 1018220139 /nfs/dbraw/zinc/22/01/39/1018220139.db2.gz PLFQUAOFMFMGIB-SNVBAGLBSA-N -1 0 322.383 -0.594 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC001603660989 1018220168 /nfs/dbraw/zinc/22/01/68/1018220168.db2.gz RCPRFKXRKXAFEG-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM CC(C)(NC(=O)C(=O)Nc1ccnc(OCCO)c1)C(=O)[O-] ZINC001603668673 1018220300 /nfs/dbraw/zinc/22/03/00/1018220300.db2.gz GEJJTKLVSCBZND-UHFFFAOYSA-N -1 0 311.294 -0.629 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)C1(S(C)(=O)=O)CCOCC1 ZINC001603660737 1018220511 /nfs/dbraw/zinc/22/05/11/1018220511.db2.gz YTTHRXIMJSEMIJ-UHFFFAOYSA-N -1 0 307.368 -0.097 20 0 DBADRM CC(C)(O)[C@@H](O)C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001603687803 1018221420 /nfs/dbraw/zinc/22/14/20/1018221420.db2.gz IQAZMKFABJBMML-JTQLQIEISA-N -1 0 312.326 -0.728 20 0 DBADRM CC(C)(O)[C@@H](O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001603687086 1018222994 /nfs/dbraw/zinc/22/29/94/1018222994.db2.gz CODKFDSDOXNREH-NSHDSACASA-N -1 0 310.306 -0.429 20 0 DBADRM CC(C)(O)[C@H](O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001603687082 1018223375 /nfs/dbraw/zinc/22/33/75/1018223375.db2.gz CODKFDSDOXNREH-LLVKDONJSA-N -1 0 310.306 -0.429 20 0 DBADRM CCCc1cc(=O)n2[nH]c(NC(=O)[C@H](OC)C(=O)[O-])nc2n1 ZINC001603691704 1018223585 /nfs/dbraw/zinc/22/35/85/1018223585.db2.gz BFCJEKUKCAXUNH-QMMMGPOBSA-N -1 0 309.282 -0.592 20 0 DBADRM CC(C)(O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001603689716 1018223817 /nfs/dbraw/zinc/22/38/17/1018223817.db2.gz URTCKBZETYHVFT-UDKBDQPSSA-N -1 0 324.377 -0.025 20 0 DBADRM CC(C)=C(F)C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001603697869 1018224621 /nfs/dbraw/zinc/22/46/21/1018224621.db2.gz RSFGXIAQJWUXIP-IUCAKERBSA-N -1 0 314.313 -0.340 20 0 DBADRM CCCn1cc(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)nn1 ZINC001603698599 1018225382 /nfs/dbraw/zinc/22/53/82/1018225382.db2.gz IJQBWEKIDKVNMP-LLVKDONJSA-N -1 0 323.353 -0.373 20 0 DBADRM CC(C)=C(F)C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001603697867 1018226431 /nfs/dbraw/zinc/22/64/31/1018226431.db2.gz RSFGXIAQJWUXIP-DTWKUNHWSA-N -1 0 314.313 -0.340 20 0 DBADRM C[C@H](C[C@H](C)O)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001603696451 1018226645 /nfs/dbraw/zinc/22/66/45/1018226645.db2.gz RXXYCPAURDJILM-SFYZADRCSA-N -1 0 312.355 -0.301 20 0 DBADRM CC(C)[C@@H](C(=O)N[C@@H](CCF)C(=O)[O-])N1CCCS1(=O)=O ZINC001603708971 1018228761 /nfs/dbraw/zinc/22/87/61/1018228761.db2.gz FBSLTWJXGUMNGB-UWVGGRQHSA-N -1 0 324.374 -0.025 20 0 DBADRM CCN(C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)[O-] ZINC001603713951 1018229297 /nfs/dbraw/zinc/22/92/97/1018229297.db2.gz PFPOPDTUTSGXEB-UWVGGRQHSA-N -1 0 306.384 -0.573 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)NCc1ncc(C(=O)[O-])s1 ZINC001603705707 1018230974 /nfs/dbraw/zinc/23/09/74/1018230974.db2.gz BKTMQHDWKZQFIA-ZETCQYMHSA-N -1 0 315.351 -0.409 20 0 DBADRM CCN(C(=O)C(=O)Nc1cc(C)cn(C)c1=O)[C@@H](C)C(=O)[O-] ZINC001603701154 1018231448 /nfs/dbraw/zinc/23/14/48/1018231448.db2.gz DPJQIQCAIHOPGQ-VIFPVBQESA-N -1 0 309.322 -0.046 20 0 DBADRM CC(C)[C@H](C)N(C)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001603720879 1018232460 /nfs/dbraw/zinc/23/24/60/1018232460.db2.gz FMMDCDARXVNYOP-DCAQKATOSA-N -1 0 300.355 -0.217 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001603739915 1018232581 /nfs/dbraw/zinc/23/25/81/1018232581.db2.gz BGTLPRUYFBPKHA-NWGYLPEXSA-N -1 0 306.384 -0.070 20 0 DBADRM CCN(C)S(=O)(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603724749 1018232775 /nfs/dbraw/zinc/23/27/75/1018232775.db2.gz VQYBQNCRKHTDTM-SECBINFHSA-N -1 0 307.372 -0.762 20 0 DBADRM CCN(C)S(=O)(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603724750 1018232925 /nfs/dbraw/zinc/23/29/25/1018232925.db2.gz VQYBQNCRKHTDTM-VIFPVBQESA-N -1 0 307.372 -0.762 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001603740329 1018233842 /nfs/dbraw/zinc/23/38/42/1018233842.db2.gz QECJXBKRHZJXAX-JLIMGVALSA-N -1 0 304.368 -0.651 20 0 DBADRM C[C@@H](c1nc(-c2ccn(C)n2)no1)n1cnc(-c2nnn[n-]2)n1 ZINC001603738565 1018234103 /nfs/dbraw/zinc/23/41/03/1018234103.db2.gz IHCYABXMOMXXMS-LURJTMIESA-N -1 0 313.285 -0.149 20 0 DBADRM CCN1CC[C@@H](NC(=O)N(CCOC)CCC(=O)[O-])C1=O ZINC001603760503 1018235684 /nfs/dbraw/zinc/23/56/84/1018235684.db2.gz VWQIRRDTMAORRC-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001603761630 1018236621 /nfs/dbraw/zinc/23/66/21/1018236621.db2.gz MIGSQLSOCFATJR-JTQLQIEISA-N -1 0 311.342 -0.600 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001603771270 1018238136 /nfs/dbraw/zinc/23/81/36/1018238136.db2.gz ACOCFCULQQPXBW-KXUCPTDWSA-N -1 0 319.383 -0.427 20 0 DBADRM CCOC(=O)[C@@H](NC(=O)COCC(=O)[O-])C1CCOCC1 ZINC001603780013 1018238188 /nfs/dbraw/zinc/23/81/88/1018238188.db2.gz JISUCLDTLFLJPN-LBPRGKRZSA-N -1 0 303.311 -0.438 20 0 DBADRM CCOC(=O)[C@@H](COC)N(C(=O)COCC(=O)[O-])C1CC1 ZINC001603779381 1018238513 /nfs/dbraw/zinc/23/85/13/1018238513.db2.gz CGHDWAIOFFERRX-SNVBAGLBSA-N -1 0 303.311 -0.343 20 0 DBADRM CCOC(=O)[C@H](C[C@H]1CCCO1)NCC(=O)NCC(=O)[O-] ZINC001603779755 1018238535 /nfs/dbraw/zinc/23/85/35/1018238535.db2.gz GWPLZGJDNBKMJM-ZJUUUORDSA-N -1 0 302.327 -0.722 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001603770430 1018238660 /nfs/dbraw/zinc/23/86/60/1018238660.db2.gz MOHSBPHFKLDEAO-UHFFFAOYSA-N -1 0 316.310 -0.353 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001603770170 1018238684 /nfs/dbraw/zinc/23/86/84/1018238684.db2.gz OQWQNCMTTWHRKP-VIFPVBQESA-N -1 0 306.384 -0.259 20 0 DBADRM CCOC(=O)[C@@H](CO)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001603780914 1018239046 /nfs/dbraw/zinc/23/90/46/1018239046.db2.gz VBXYGCKQTOMXMM-LLVKDONJSA-N -1 0 311.290 -0.196 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)[C@@H]1COC(=O)N1)C(=O)[O-] ZINC001603776291 1018239536 /nfs/dbraw/zinc/23/95/36/1018239536.db2.gz GRHMFTPKXDPYNO-YUMQZZPRSA-N -1 0 302.283 -0.747 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)[C@@H]1NC(=O)O[C@H]1C)C(=O)[O-] ZINC001603777161 1018240198 /nfs/dbraw/zinc/24/01/98/1018240198.db2.gz QWMZYKGJYIFAFS-OYNCUSHFSA-N -1 0 316.310 -0.358 20 0 DBADRM CC(C)CN(C(=O)CN1CC(=O)N(C)C[C@H]1C(=O)[O-])C1CC1 ZINC001603800171 1018241117 /nfs/dbraw/zinc/24/11/17/1018241117.db2.gz WTPRLVQDBCKSJM-LBPRGKRZSA-N -1 0 311.382 -0.139 20 0 DBADRM CCOC(=O)N[C@H]1CCCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001603803741 1018241655 /nfs/dbraw/zinc/24/16/55/1018241655.db2.gz YKUNWBBMAQFZCU-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM CCOC(=O)C1CCC(NC(=O)C(=O)NCCC(=O)[O-])CC1 ZINC001603792467 1018242807 /nfs/dbraw/zinc/24/28/07/1018242807.db2.gz WHKZVFLNTQSQIC-UHFFFAOYSA-N -1 0 314.338 -0.185 20 0 DBADRM CCOC(=O)c1cn(CCNC(=O)[C@@](C)(OC)C(=O)[O-])cn1 ZINC001603819290 1018244347 /nfs/dbraw/zinc/24/43/47/1018244347.db2.gz QTFFTVPTLLJBQE-CYBMUJFWSA-N -1 0 313.310 -0.334 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)c2ccnn2C)c1[O-] ZINC001500127137 1018248959 /nfs/dbraw/zinc/24/89/59/1018248959.db2.gz XBEJKNSZKWGCQF-MRVPVSSYSA-N -1 0 320.353 -0.047 20 0 DBADRM CC(C)C[C@@H](CO)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001603833272 1018249344 /nfs/dbraw/zinc/24/93/44/1018249344.db2.gz PRVDDGZWMUDJGW-JTQLQIEISA-N -1 0 303.359 -0.326 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001603831198 1018249398 /nfs/dbraw/zinc/24/93/98/1018249398.db2.gz FTMMDKCUZPVGGY-JQWIXIFHSA-N -1 0 321.395 -0.116 20 0 DBADRM CCO[C@H](C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O)[C@H]1CCOC1 ZINC001603824793 1018249441 /nfs/dbraw/zinc/24/94/41/1018249441.db2.gz ZKWRDQOVLUNYEQ-NHCYSSNCSA-N -1 0 315.322 -0.343 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2cnccc2-c2nn[nH]n2)C(=O)N1C ZINC001603831470 1018250339 /nfs/dbraw/zinc/25/03/39/1018250339.db2.gz YPKQXMKQCDPUHD-LURJTMIESA-N -1 0 316.281 -0.811 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CC[C@H]1C(N)=O)C(=O)[O-] ZINC001603840444 1018251445 /nfs/dbraw/zinc/25/14/45/1018251445.db2.gz QJEKLLGVVRYOGK-BBBLOLIVSA-N -1 0 313.354 -0.770 20 0 DBADRM CC(C)CS(=O)(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603831356 1018251502 /nfs/dbraw/zinc/25/15/02/1018251502.db2.gz JRAZZHGBUNOKFT-UHFFFAOYSA-N -1 0 313.397 -0.406 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)NCCn2cnc(-c3nnn[n-]3)n2)[C@H](C)O1 ZINC001603846165 1018253262 /nfs/dbraw/zinc/25/32/62/1018253262.db2.gz SPZYPJMYLUDLGU-HRDYMLBCSA-N -1 0 306.330 -0.612 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@H]1CSCN1)C(=O)[O-] ZINC001603840469 1018253312 /nfs/dbraw/zinc/25/33/12/1018253312.db2.gz RXMRTKVLZYQCDG-DTWKUNHWSA-N -1 0 303.384 -0.619 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@H]1CC[C@@H]1C(N)=O)C(=O)[O-] ZINC001603840445 1018253831 /nfs/dbraw/zinc/25/38/31/1018253831.db2.gz QJEKLLGVVRYOGK-GUBZILKMSA-N -1 0 313.354 -0.770 20 0 DBADRM CCOCCCn1nnnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001603841957 1018254090 /nfs/dbraw/zinc/25/40/90/1018254090.db2.gz VKQFANXTJFDLMJ-ZWNOBZJWSA-N -1 0 311.342 -0.363 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@H]1CC[C@H]1C(N)=O)C(=O)[O-] ZINC001603840447 1018254368 /nfs/dbraw/zinc/25/43/68/1018254368.db2.gz QJEKLLGVVRYOGK-UTLUCORTSA-N -1 0 313.354 -0.770 20 0 DBADRM C[C@H]1C[C@@H](N2CCOCC2)CN1c1ccnc(-c2nnn[n-]2)n1 ZINC001603856657 1018254409 /nfs/dbraw/zinc/25/44/09/1018254409.db2.gz VENKMKXTAMXLNR-WDEREUQCSA-N -1 0 316.369 -0.044 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCO[C@H](C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001603858050 1018255024 /nfs/dbraw/zinc/25/50/24/1018255024.db2.gz ZSGQVFDINNBMNC-HLTSFMKQSA-N -1 0 306.330 -0.297 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1 ZINC001603894046 1018257207 /nfs/dbraw/zinc/25/72/07/1018257207.db2.gz HMQOIMMFCCALFF-SKDRFNHKSA-N -1 0 304.368 -0.409 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001603884980 1018256267 /nfs/dbraw/zinc/25/62/67/1018256267.db2.gz BVYZIMFZXCOZSE-IONNQARKSA-N -1 0 306.340 -0.503 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001603894657 1018256793 /nfs/dbraw/zinc/25/67/93/1018256793.db2.gz STQWGAFVOZQMEL-AOOOYVTPSA-N -1 0 319.383 -0.474 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001603884810 1018257490 /nfs/dbraw/zinc/25/74/90/1018257490.db2.gz ARRVXUZUZYNTOX-UHFFFAOYSA-N -1 0 305.352 -0.487 20 0 DBADRM C[C@@H]1CC[C@@H]1NC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001603881978 1018257989 /nfs/dbraw/zinc/25/79/89/1018257989.db2.gz QDKGOELAROQSRG-APPZFPTMSA-N -1 0 319.325 -0.566 20 0 DBADRM CCS(=O)(=O)NCCCN1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001603894521 1018258122 /nfs/dbraw/zinc/25/81/22/1018258122.db2.gz RCSBAFYYJWJHJT-LBPRGKRZSA-N -1 0 324.399 -0.882 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)c1cc(C(=O)[O-])nn1C ZINC001603885095 1018258351 /nfs/dbraw/zinc/25/83/51/1018258351.db2.gz FERFXMLKUFECDY-UHFFFAOYSA-N -1 0 303.340 -0.375 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001603886144 1018258864 /nfs/dbraw/zinc/25/88/64/1018258864.db2.gz WZZPQHIKDULARE-SNVBAGLBSA-N -1 0 300.336 -0.372 20 0 DBADRM CC(C)NC(=O)NC(=O)[C@H](C)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001603900744 1018259346 /nfs/dbraw/zinc/25/93/46/1018259346.db2.gz VXCGTSMJEIYKOA-GUBZILKMSA-N -1 0 301.343 -0.217 20 0 DBADRM CC(C)NC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001603900743 1018259907 /nfs/dbraw/zinc/25/99/07/1018259907.db2.gz VXCGTSMJEIYKOA-BBBLOLIVSA-N -1 0 301.343 -0.217 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001603895908 1018260766 /nfs/dbraw/zinc/26/07/66/1018260766.db2.gz YMNVAMWLKKDRFO-YRMIWKTRSA-N -1 0 318.395 -0.560 20 0 DBADRM CC(C)NC(=O)CNC(=S)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001603900799 1018260812 /nfs/dbraw/zinc/26/08/12/1018260812.db2.gz XVTMNDCTCQNYNX-BDAKNGLRSA-N -1 0 303.384 -0.441 20 0 DBADRM C[C@H](C(=O)N1CCCO[C@@H](C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001603914084 1018262704 /nfs/dbraw/zinc/26/27/04/1018262704.db2.gz RRDFHNKXIWCUOS-DTWKUNHWSA-N -1 0 306.330 -0.343 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)CCO1 ZINC001603939652 1018267378 /nfs/dbraw/zinc/26/73/78/1018267378.db2.gz WLROQGMIJJNCRZ-MRVPVSSYSA-N -1 0 310.339 -0.329 20 0 DBADRM C/C=C/C[C@@H](CO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001603963961 1018270012 /nfs/dbraw/zinc/27/00/12/1018270012.db2.gz QNIVZPZLNSUOEV-ZJELKQJVSA-N -1 0 321.341 -0.997 20 0 DBADRM CC(C)S(=O)(=O)CCCN1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001603959871 1018271601 /nfs/dbraw/zinc/27/16/01/1018271601.db2.gz HCSIHBXJVLMCNM-JTQLQIEISA-N -1 0 306.384 -0.573 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@H]1CCCC(=O)N1)C(=O)[O-] ZINC001603973375 1018273583 /nfs/dbraw/zinc/27/35/83/1018273583.db2.gz IRHQEWOQPOSZIP-KCJUWKMLSA-N -1 0 300.311 -0.576 20 0 DBADRM CC(C)[C@H](NC(=O)CN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)C(=O)[O-] ZINC001603972925 1018275479 /nfs/dbraw/zinc/27/54/79/1018275479.db2.gz PGTDNKSZNIAPMI-JULQROHOSA-N -1 0 311.382 -0.202 20 0 DBADRM CC(C)[C@H](NC(=O)CN1C[C@@H](CO)OC(C)(C)C1)C(=O)[O-] ZINC001603973128 1018276261 /nfs/dbraw/zinc/27/62/61/1018276261.db2.gz UDTHKIYPLYELCK-JQWIXIFHSA-N -1 0 302.371 -0.317 20 0 DBADRM CN(C(=O)C1(CC(=O)[O-])CCOCC1)C1CS(=O)(=O)C1 ZINC001604025131 1018277768 /nfs/dbraw/zinc/27/77/68/1018277768.db2.gz RWSLBWKAADVGOA-UHFFFAOYSA-N -1 0 305.352 -0.487 20 0 DBADRM CCc1nnc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])s1 ZINC001603993299 1018279014 /nfs/dbraw/zinc/27/90/14/1018279014.db2.gz QSIFNDRCRJZWFI-LURJTMIESA-N -1 0 319.364 -0.576 20 0 DBADRM CCN1C(=O)N=NC1C1CCN(C(=O)[C@H](OC)C(=O)[O-])CC1 ZINC001604009069 1018279604 /nfs/dbraw/zinc/27/96/04/1018279604.db2.gz YGWRVYQDRBBMML-VIFPVBQESA-N -1 0 312.326 -0.191 20 0 DBADRM CCn1ncc(CNC(=O)N2CC[C@@](COC)(C(=O)[O-])C2)n1 ZINC001604025002 1018279681 /nfs/dbraw/zinc/27/96/81/1018279681.db2.gz YYUGQFCNEIFJJJ-CYBMUJFWSA-N -1 0 311.342 -0.069 20 0 DBADRM CCc1ncc(CN(C)CC(=O)[O-])n1S(=O)(=O)N(C)C ZINC001603983266 1018280680 /nfs/dbraw/zinc/28/06/80/1018280680.db2.gz VQMKXWSFSWFOGM-UHFFFAOYSA-N -1 0 304.372 -0.384 20 0 DBADRM CCn1[nH]c(C)nc1=NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001604022102 1018280731 /nfs/dbraw/zinc/28/07/31/1018280731.db2.gz KOWYTRSPVPKUGY-CYBMUJFWSA-N -1 0 311.342 -0.017 20 0 DBADRM CC[C@](C)(CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)OC ZINC001603987774 1018280959 /nfs/dbraw/zinc/28/09/59/1018280959.db2.gz YMZCDUGDRNMWRL-QPUJVOFHSA-N -1 0 308.346 -0.050 20 0 DBADRM CC[C@H](CCO)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001604030309 1018282408 /nfs/dbraw/zinc/28/24/08/1018282408.db2.gz RORIBHMHWSDBEW-MRVPVSSYSA-N -1 0 312.355 -0.299 20 0 DBADRM CN(C)C(=O)CN1CCN(Cc2c(C(=O)[O-])cnn2C)CC1 ZINC001604041292 1018283917 /nfs/dbraw/zinc/28/39/17/1018283917.db2.gz XKBLONLYXKISTO-UHFFFAOYSA-N -1 0 309.370 -0.676 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC001604053183 1018285886 /nfs/dbraw/zinc/28/58/86/1018285886.db2.gz GXGVFURZDVQSSK-KNQJERJVSA-N -1 0 306.282 -0.067 20 0 DBADRM CC(C)n1ncnc1CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC001604047788 1018286036 /nfs/dbraw/zinc/28/60/36/1018286036.db2.gz ASDLEIQDJXZVFC-UHFFFAOYSA-N -1 0 305.360 -0.400 20 0 DBADRM CC[C@@H](NC(=O)NCCn1cnc(-c2nnn[n-]2)n1)C(F)F ZINC001604047297 1018286935 /nfs/dbraw/zinc/28/69/35/1018286935.db2.gz GICGBEJVGCJZKI-ZCFIWIBFSA-N -1 0 315.288 -0.199 20 0 DBADRM CN(C)C1(CS(=O)(=O)NC2(C(=O)[O-])CCOCC2)CC1 ZINC001604052585 1018287252 /nfs/dbraw/zinc/28/72/52/1018287252.db2.gz CIJJXESFOVFTMK-UHFFFAOYSA-N -1 0 306.384 -0.366 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC001604056741 1018288277 /nfs/dbraw/zinc/28/82/77/1018288277.db2.gz WEBVXAAVQVZEQB-YJOJJWFDSA-N -1 0 304.368 -0.054 20 0 DBADRM CC[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCCO1 ZINC001604047651 1018288678 /nfs/dbraw/zinc/28/86/78/1018288678.db2.gz OGIHVJUTEVOLEE-UWVGGRQHSA-N -1 0 320.357 -0.078 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN1CC[C@@H](C(=O)[O-])C1 ZINC001604083454 1018291072 /nfs/dbraw/zinc/29/10/72/1018291072.db2.gz JZRRXHWPWWPVHD-SECBINFHSA-N -1 0 302.356 -0.556 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CN[C@@]2(C(=O)[O-])CCOC2)o1 ZINC001604083156 1018291473 /nfs/dbraw/zinc/29/14/73/1018291473.db2.gz FVILCKWHPHFMDM-LBPRGKRZSA-N -1 0 318.351 -0.137 20 0 DBADRM CN(C)c1n[nH]c(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001604092617 1018295093 /nfs/dbraw/zinc/29/50/93/1018295093.db2.gz QXMJCJWBTWNQAV-ZETCQYMHSA-N -1 0 310.314 -0.868 20 0 DBADRM CN(CC(=O)NC(C)(C)C)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001604102465 1018295638 /nfs/dbraw/zinc/29/56/38/1018295638.db2.gz WOFLAMMDBRCDKW-UHFFFAOYSA-N -1 0 323.349 -0.080 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)NC[C@H](C(=O)[O-])C2CCC2)n1 ZINC001604092762 1018295768 /nfs/dbraw/zinc/29/57/68/1018295768.db2.gz XBBFBNKLPMPDJT-QMMMGPOBSA-N -1 0 308.342 -0.250 20 0 DBADRM CC[C@H]1C[C@@H](C)CN1c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604097639 1018295917 /nfs/dbraw/zinc/29/59/17/1018295917.db2.gz REOUGPRKXXACCB-SFYZADRCSA-N -1 0 305.342 -0.122 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001604104468 1018296133 /nfs/dbraw/zinc/29/61/33/1018296133.db2.gz NFRKBFDHERUKJU-ZANVPECISA-N -1 0 300.311 -0.175 20 0 DBADRM CCC1(O)CN(C(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)C1 ZINC001604093364 1018296255 /nfs/dbraw/zinc/29/62/55/1018296255.db2.gz ASGDVQATGZAXEC-UHFFFAOYSA-N -1 0 304.310 -0.127 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001604104465 1018296324 /nfs/dbraw/zinc/29/63/24/1018296324.db2.gz NFRKBFDHERUKJU-NOZJJQNGSA-N -1 0 300.311 -0.175 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001604124243 1018298100 /nfs/dbraw/zinc/29/81/00/1018298100.db2.gz FFBFYURNYXFWSQ-NEPJUHHUSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)CC2C(=O)N=CNC2=O)CC1 ZINC001604114247 1018299919 /nfs/dbraw/zinc/29/99/19/1018299919.db2.gz UXAMUAPDQOTYJZ-SECBINFHSA-N -1 0 324.337 -0.562 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NCCCNc1ccnc(C(=O)[O-])n1 ZINC001604124973 1018300969 /nfs/dbraw/zinc/30/09/69/1018300969.db2.gz HORHDMFHWJWFOT-MRVPVSSYSA-N -1 0 309.326 -0.974 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001604125270 1018302147 /nfs/dbraw/zinc/30/21/47/1018302147.db2.gz NAYJHZSEZKNLTP-BDAKNGLRSA-N -1 0 309.326 -0.349 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N(C)CCCNc1ncc(C(=O)[O-])cn1 ZINC001604125681 1018302748 /nfs/dbraw/zinc/30/27/48/1018302748.db2.gz YCJLVNCEDZMXPE-SECBINFHSA-N -1 0 323.353 -0.053 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NC[C@H](C)N(C)c1ncc(C(=O)[O-])cn1 ZINC001604125225 1018302798 /nfs/dbraw/zinc/30/27/98/1018302798.db2.gz LWYQRUFESWOHEJ-BDAKNGLRSA-N -1 0 323.353 -0.373 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001604125648 1018304060 /nfs/dbraw/zinc/30/40/60/1018304060.db2.gz XDNLRJIXUODSOE-DTWKUNHWSA-N -1 0 321.337 -0.619 20 0 DBADRM CCC[C@@H](O)[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001604144824 1018304887 /nfs/dbraw/zinc/30/48/87/1018304887.db2.gz MJFVYGKRFJKJMR-WDEREUQCSA-N -1 0 321.337 -0.176 20 0 DBADRM C[C@@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)C1(C(N)=O)CC1 ZINC001604142816 1018305595 /nfs/dbraw/zinc/30/55/95/1018305595.db2.gz YWZCJFAJSDSMKD-QMMMGPOBSA-N -1 0 321.337 -0.253 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)c1cn(C)cn1 ZINC001604141688 1018307010 /nfs/dbraw/zinc/30/70/10/1018307010.db2.gz KFKHLAHHRZEVPM-VIFPVBQESA-N -1 0 318.337 -0.049 20 0 DBADRM C[C@H](CN(C)C(=O)c1cncnc1)Nc1ccnc(C(=O)[O-])n1 ZINC001604158474 1018307193 /nfs/dbraw/zinc/30/71/93/1018307193.db2.gz VKEJZFGLYNQVDD-SECBINFHSA-N -1 0 316.321 -0.041 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001604148731 1018307472 /nfs/dbraw/zinc/30/74/72/1018307472.db2.gz YSHOIISUSZBHBQ-QMMMGPOBSA-N -1 0 303.340 -0.479 20 0 DBADRM C[C@@H](CN(C)C(=O)C1=COCCO1)Nc1ccnc(C(=O)[O-])n1 ZINC001604154695 1018307786 /nfs/dbraw/zinc/30/77/86/1018307786.db2.gz XTXFPOMWYHKUEH-VIFPVBQESA-N -1 0 322.321 -0.256 20 0 DBADRM C[C@@H](CN(C)S(C)(=O)=O)OC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001604159097 1018308549 /nfs/dbraw/zinc/30/85/49/1018308549.db2.gz LPGBMZBLYLKVFW-QMMMGPOBSA-N -1 0 319.339 -0.596 20 0 DBADRM C[C@H](CN1CC[C@]2(CC(C(=O)[O-])=NO2)C1)CS(C)(=O)=O ZINC001604165164 1018308939 /nfs/dbraw/zinc/30/89/39/1018308939.db2.gz MJVHMXDJIJAHGW-SKDRFNHKSA-N -1 0 304.368 -0.028 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-])S(C)(=O)=O ZINC001604169971 1018309204 /nfs/dbraw/zinc/30/92/04/1018309204.db2.gz XSQKHKYVJFCLQW-IUCAKERBSA-N -1 0 320.367 -0.999 20 0 DBADRM C[C@H](CN1CCCC1=O)NC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001604164480 1018310496 /nfs/dbraw/zinc/31/04/96/1018310496.db2.gz BHDCCQNPHMZYCU-GMTAPVOTSA-N -1 0 313.354 -0.526 20 0 DBADRM CN(CCN1CCOC(C)(C)C1)C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001604175155 1018311329 /nfs/dbraw/zinc/31/13/29/1018311329.db2.gz UFHRVGFBLOSDKZ-LLVKDONJSA-N -1 0 313.354 -0.215 20 0 DBADRM C[C@@H](CNC(=O)N1CC(O)(C(=O)[O-])C1)CC1(C)OCCO1 ZINC001604173743 1018311394 /nfs/dbraw/zinc/31/13/94/1018311394.db2.gz DSLBJXQXANTJGL-SECBINFHSA-N -1 0 302.327 -0.384 20 0 DBADRM CN(CCN1CCCC1=O)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001604174893 1018311470 /nfs/dbraw/zinc/31/14/70/1018311470.db2.gz JKRXBJLUILDPHV-UHFFFAOYSA-N -1 0 321.333 -0.373 20 0 DBADRM C[C@@H](CNC(=O)Cn1cccn1)Nc1ccnc(C(=O)[O-])n1 ZINC001604174711 1018311608 /nfs/dbraw/zinc/31/16/08/1018311608.db2.gz VKHNCVNYDYAMIE-VIFPVBQESA-N -1 0 304.310 -0.590 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCNC1=O)N(C)c1ccnc(C(=O)[O-])n1 ZINC001604172776 1018311666 /nfs/dbraw/zinc/31/16/66/1018311666.db2.gz DRHPDLMQOBCCNT-DTWKUNHWSA-N -1 0 321.337 -0.748 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)Nc1ccnc(C(=O)[O-])n1 ZINC001604172914 1018311936 /nfs/dbraw/zinc/31/19/36/1018311936.db2.gz IQMSBEVDLBIZAM-IUCAKERBSA-N -1 0 321.337 -0.961 20 0 DBADRM CN(CCN1CCOC(C)(C)C1)C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001604175156 1018312013 /nfs/dbraw/zinc/31/20/13/1018312013.db2.gz UFHRVGFBLOSDKZ-NSHDSACASA-N -1 0 313.354 -0.215 20 0 DBADRM C[C@H](CNC(=O)[C@H](C)CC(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001604171730 1018312116 /nfs/dbraw/zinc/31/21/16/1018312116.db2.gz GALYTQQSVBPJGC-HTQZYQBOSA-N -1 0 309.326 -0.397 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001604210842 1018323041 /nfs/dbraw/zinc/32/30/41/1018323041.db2.gz LPMUFIYLYIENHR-SCZZXKLOSA-N -1 0 322.383 -0.713 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001604177704 1018314282 /nfs/dbraw/zinc/31/42/82/1018314282.db2.gz ZEUXIUJAULQUFX-ONEGZZNKSA-N -1 0 316.335 -0.001 20 0 DBADRM C[C@@](CO)(NC(=O)CNC(=O)NC1CCCCC1)C(=O)[O-] ZINC001604190082 1018314470 /nfs/dbraw/zinc/31/44/70/1018314470.db2.gz GEGSTGBFWIWFCJ-ZDUSSCGKSA-N -1 0 301.343 -0.430 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001604191061 1018314649 /nfs/dbraw/zinc/31/46/49/1018314649.db2.gz QPMKFJUMQXRIEO-DTWKUNHWSA-N -1 0 321.337 -0.866 20 0 DBADRM C[C@@H](CNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)S(N)(=O)=O ZINC001604178706 1018314765 /nfs/dbraw/zinc/31/47/65/1018314765.db2.gz NBKHIFSXTGHRMM-PJFCORBGSA-N -1 0 305.356 -0.784 20 0 DBADRM CCCCOCCNC(=O)COc1cnc(-c2nnn[n-]2)nc1 ZINC001604188427 1018314861 /nfs/dbraw/zinc/31/48/61/1018314861.db2.gz QWKJITKUIMZGNU-UHFFFAOYSA-N -1 0 321.341 -0.032 20 0 DBADRM C[C@@H](CNS(=O)(=O)CC1(C(=O)[O-])CC1)CN1CCOCC1 ZINC001604186199 1018314953 /nfs/dbraw/zinc/31/49/53/1018314953.db2.gz RYTJVBGCXDOZPF-NSHDSACASA-N -1 0 320.411 -0.261 20 0 DBADRM CN(Cc1cccc(O)c1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001604188721 1018315283 /nfs/dbraw/zinc/31/52/83/1018315283.db2.gz MZDJODUWQIXEMW-GFCCVEGCSA-N -1 0 322.317 -0.337 20 0 DBADRM CC(CO)(CO)C(=O)OCC(=O)Nc1ccccc1C(=O)[O-] ZINC001604190921 1018315724 /nfs/dbraw/zinc/31/57/24/1018315724.db2.gz LBTZQAOHFJQWAD-UHFFFAOYSA-N -1 0 311.290 -0.143 20 0 DBADRM CN(Cc1ncccn1)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604195246 1018316563 /nfs/dbraw/zinc/31/65/63/1018316563.db2.gz OGFOGLVUQMATRM-SNVBAGLBSA-N -1 0 306.322 -0.242 20 0 DBADRM CN1C(=O)COc2ccc(NC(=O)NC[C@](C)(O)C(=O)[O-])cc21 ZINC001604197060 1018316856 /nfs/dbraw/zinc/31/68/56/1018316856.db2.gz VJWNCMPFPBLOSZ-AWEZNQCLSA-N -1 0 323.305 -0.001 20 0 DBADRM C[C@](CO)(NC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)[O-] ZINC001604193008 1018317641 /nfs/dbraw/zinc/31/76/41/1018317641.db2.gz BBNQJSJVTGLNPV-CQSZACIVSA-N -1 0 321.289 -0.545 20 0 DBADRM C[C@@](CO)(NC(=O)CCCS(=O)(=O)N1CCCC1)C(=O)[O-] ZINC001604192054 1018317758 /nfs/dbraw/zinc/31/77/58/1018317758.db2.gz SXDZQTMXYADWCH-LBPRGKRZSA-N -1 0 322.383 -0.856 20 0 DBADRM C[C@@](CO)(NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)[O-] ZINC001604191816 1018318188 /nfs/dbraw/zinc/31/81/88/1018318188.db2.gz QWDFHPCBKGVKGI-BBRMVZONSA-N -1 0 322.361 -0.161 20 0 DBADRM CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001604196519 1018318269 /nfs/dbraw/zinc/31/82/69/1018318269.db2.gz OQWBRYGLOLEOHG-AOOOYVTPSA-N -1 0 319.383 -0.777 20 0 DBADRM C[C@](CO)(NC(=O)Cc1ccn(CC(F)(F)F)n1)C(=O)[O-] ZINC001604193382 1018318309 /nfs/dbraw/zinc/31/83/09/1018318309.db2.gz MPTMNEVZDJYXOF-SNVBAGLBSA-N -1 0 309.244 -0.060 20 0 DBADRM CN1C[C@H](OC(=O)C2(CC(=O)[O-])CCOCC2)CNC1=O ZINC001604201436 1018318970 /nfs/dbraw/zinc/31/89/70/1018318970.db2.gz UGDQKNOJJACHCQ-SECBINFHSA-N -1 0 300.311 -0.175 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1cnc2n1CCCC2)C(=O)[O-] ZINC001604199319 1018320019 /nfs/dbraw/zinc/32/00/19/1018320019.db2.gz ZBPJAQVEKQJNNW-LLVKDONJSA-N -1 0 303.340 -0.667 20 0 DBADRM C[C@H](CS(=O)(=O)N(C)C)OC(=O)c1cc(C(=O)[O-])no1 ZINC001604205579 1018319650 /nfs/dbraw/zinc/31/96/50/1018319650.db2.gz QGHVHESBUICSKV-ZCFIWIBFSA-N -1 0 306.296 -0.191 20 0 DBADRM C[C@](CO)(NS(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1)C(=O)[O-] ZINC001604199204 1018320949 /nfs/dbraw/zinc/32/09/49/1018320949.db2.gz VQUMWBPWUZOKEH-HOSYDEDBSA-N -1 0 307.368 -0.301 20 0 DBADRM C[C@@H](CS(=O)(=O)N(C)C)OC(=O)c1cc(C(=O)[O-])no1 ZINC001604205578 1018321064 /nfs/dbraw/zinc/32/10/64/1018321064.db2.gz QGHVHESBUICSKV-LURJTMIESA-N -1 0 306.296 -0.191 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001604210841 1018323592 /nfs/dbraw/zinc/32/35/92/1018323592.db2.gz LPMUFIYLYIENHR-PSASIEDQSA-N -1 0 322.383 -0.713 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001604211864 1018324683 /nfs/dbraw/zinc/32/46/83/1018324683.db2.gz YSXMFGMINBPAOG-BXKDBHETSA-N -1 0 307.368 -0.193 20 0 DBADRM CCCN1C[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)CC1=O ZINC001604221220 1018325334 /nfs/dbraw/zinc/32/53/34/1018325334.db2.gz XWDFUFUXIYHEFC-SECBINFHSA-N -1 0 302.342 -0.251 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN([S@](C)(=N)=O)CC1)C(=O)[O-] ZINC001604211777 1018327341 /nfs/dbraw/zinc/32/73/41/1018327341.db2.gz WJEAWVGLMNFGII-ASCAZGACSA-N -1 0 313.401 -0.754 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001604231796 1018329192 /nfs/dbraw/zinc/32/91/92/1018329192.db2.gz HNLXBYSKGCQOLW-BBBLOLIVSA-N -1 0 313.354 -0.804 20 0 DBADRM CN1C[C@@H](n2nnnc2N2CCC[C@H](CC(=O)[O-])C2)CC1=O ZINC001604231400 1018330608 /nfs/dbraw/zinc/33/06/08/1018330608.db2.gz PKGHZVSVKJXPLM-ZJUUUORDSA-N -1 0 308.342 -0.233 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)N(C)C[C@@H](C)C(=O)[O-])CC1 ZINC001604237092 1018330616 /nfs/dbraw/zinc/33/06/16/1018330616.db2.gz SWSGWBQSYYDWRE-SNVBAGLBSA-N -1 0 314.386 -0.441 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001604239960 1018330740 /nfs/dbraw/zinc/33/07/40/1018330740.db2.gz JNZRWCQTMRQXHF-PKJDEHMXSA-N -1 0 313.354 -0.168 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)c1cc(C(N)=O)c[nH]1)C(=O)[O-] ZINC001604242699 1018331373 /nfs/dbraw/zinc/33/13/73/1018331373.db2.gz LUDUTXNYSKMDHO-CYBMUJFWSA-N -1 0 305.294 -0.417 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H](C)CC(=O)[O-] ZINC001604241519 1018332195 /nfs/dbraw/zinc/33/21/95/1018332195.db2.gz YSQQLIRJFCANCF-VIFPVBQESA-N -1 0 321.333 -0.107 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)c1ccnc(C(=O)[O-])c1)C(N)=O ZINC001604244688 1018332508 /nfs/dbraw/zinc/33/25/08/1018332508.db2.gz PEYNZSDPVFDRDT-CQSZACIVSA-N -1 0 317.305 -0.350 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)CC1CS(=O)(=O)C1)C(=O)[O-] ZINC001604242138 1018332527 /nfs/dbraw/zinc/33/25/27/1018332527.db2.gz IPIUIGUIZFVWOQ-GFCCVEGCSA-N -1 0 315.351 -0.723 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604246863 1018332573 /nfs/dbraw/zinc/33/25/73/1018332573.db2.gz JVDHXOLKUJPVIF-SNVBAGLBSA-N -1 0 311.342 -0.448 20 0 DBADRM CNC(=O)c1cccc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC001604247322 1018332957 /nfs/dbraw/zinc/33/29/57/1018332957.db2.gz MPGZXYFCMKKVOA-NSHDSACASA-N -1 0 320.301 -0.112 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)CNCC(F)(F)F)C(=O)[O-] ZINC001604243264 1018332966 /nfs/dbraw/zinc/33/29/66/1018332966.db2.gz PCGUBLSLQOQBNC-JTQLQIEISA-N -1 0 308.260 -0.006 20 0 DBADRM C[C@@](Cn1cnc2ccccc21)(NC(=O)[C@@H]1CC(=O)N1)C(=O)[O-] ZINC001604246825 1018332987 /nfs/dbraw/zinc/33/29/87/1018332987.db2.gz JEXCSXPXBRNCGJ-BONVTDFDSA-N -1 0 316.317 -0.116 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ncnn1C ZINC001604255749 1018333789 /nfs/dbraw/zinc/33/37/89/1018333789.db2.gz KLLJPUFGXSEKJJ-RKDXNWHRSA-N -1 0 309.326 -0.542 20 0 DBADRM C[C@@H](Cn1cncn1)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001604249417 1018334008 /nfs/dbraw/zinc/33/40/08/1018334008.db2.gz NLBARBDIMPZQTM-LURJTMIESA-N -1 0 300.300 -0.934 20 0 DBADRM CNS(=O)(=O)N1CCN(C(=O)CCCCC(=O)[O-])CC1 ZINC001604250132 1018334069 /nfs/dbraw/zinc/33/40/69/1018334069.db2.gz YXGBSLMCMAGLOX-UHFFFAOYSA-N -1 0 307.372 -0.760 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001604249195 1018334261 /nfs/dbraw/zinc/33/42/61/1018334261.db2.gz VHLOCLDFCHBYKU-LLVKDONJSA-N -1 0 315.351 -0.709 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccn(C)n1 ZINC001604256375 1018334533 /nfs/dbraw/zinc/33/45/33/1018334533.db2.gz PIKUYOARMWJGDN-KXUCPTDWSA-N -1 0 308.338 -0.224 20 0 DBADRM C[C@@H](NC(=O)C(=O)N(C)CCO)c1ncc(C(=O)[O-])s1 ZINC001604256262 1018335139 /nfs/dbraw/zinc/33/51/39/1018335139.db2.gz OHFYQJAHYRMLQK-ZCFIWIBFSA-N -1 0 301.324 -0.531 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)c1ncn(C)n1 ZINC001604255741 1018335266 /nfs/dbraw/zinc/33/52/66/1018335266.db2.gz KISUNDDVWNPGKY-DJLDLDEBSA-N -1 0 309.326 -0.686 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ncn(C)n1 ZINC001604260656 1018336374 /nfs/dbraw/zinc/33/63/74/1018336374.db2.gz FHXRVXIEGNOHSP-IWSPIJDZSA-N -1 0 309.326 -0.829 20 0 DBADRM COC(=O)[C@H](COC(C)C)N(C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC001604267309 1018337947 /nfs/dbraw/zinc/33/79/47/1018337947.db2.gz GDNROGCVEUWAGK-QWRGUYRKSA-N -1 0 316.354 -0.430 20 0 DBADRM CCN(C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)[C@@H]1CCNC1=O ZINC001604267148 1018338026 /nfs/dbraw/zinc/33/80/26/1018338026.db2.gz UHMFUWNJVLOBME-SNVBAGLBSA-N -1 0 316.321 -0.077 20 0 DBADRM COC(=O)C1(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)CCC1 ZINC001604276017 1018338909 /nfs/dbraw/zinc/33/89/09/1018338909.db2.gz REJIYQZYUNKORH-JTQLQIEISA-N -1 0 307.324 -0.755 20 0 DBADRM COC(=O)[C@H](NCC(=O)NCC(=O)[O-])[C@H]1CCC[C@H](OC)C1 ZINC001604271321 1018340208 /nfs/dbraw/zinc/34/02/08/1018340208.db2.gz KJMONNQMVRRKKY-OUJBWJOFSA-N -1 0 316.354 -0.476 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])CCC1 ZINC001604275773 1018340513 /nfs/dbraw/zinc/34/05/13/1018340513.db2.gz LHCGQHFMDVYSMP-QMMMGPOBSA-N -1 0 307.324 -0.803 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N2CCC[C@@H]2C(=O)[O-])C1=O ZINC001604289106 1018341764 /nfs/dbraw/zinc/34/17/64/1018341764.db2.gz CFBUXPRHMAAPMK-VHSXEESVSA-N -1 0 312.322 -0.526 20 0 DBADRM C[C@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)c1nccn1C ZINC001604287639 1018342315 /nfs/dbraw/zinc/34/23/15/1018342315.db2.gz LPWPJCCIPKYRJX-QMMMGPOBSA-N -1 0 307.314 -0.230 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N(OC)[C@H](C)C(=O)[O-])C1=O ZINC001604291125 1018342751 /nfs/dbraw/zinc/34/27/51/1018342751.db2.gz VEVDCJIBNFEDPR-RKDXNWHRSA-N -1 0 316.310 -0.739 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)Nc2n[nH]cc2C(=O)[O-])C1=O ZINC001604290495 1018342939 /nfs/dbraw/zinc/34/29/39/1018342939.db2.gz OZYDIQNNYSDSPW-SSDOTTSWSA-N -1 0 324.293 -0.542 20 0 DBADRM C[C@H](NC(=O)N1C[C@H](O)[C@@H](CO)C1)c1ncc(C(=O)[O-])s1 ZINC001604278737 1018343307 /nfs/dbraw/zinc/34/33/07/1018343307.db2.gz GCBPRCJNBAOAIS-RNJXMRFFSA-N -1 0 315.351 -0.103 20 0 DBADRM CCN(C[C@@H]1CCOC1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604289203 1018343373 /nfs/dbraw/zinc/34/33/73/1018343373.db2.gz GJFJNGMPYCSFIS-QMMMGPOBSA-N -1 0 321.341 -0.884 20 0 DBADRM C[C@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)c1ccn(C)n1 ZINC001604287998 1018344410 /nfs/dbraw/zinc/34/44/10/1018344410.db2.gz UIORDAHEWHYOHS-QMMMGPOBSA-N -1 0 307.314 -0.230 20 0 DBADRM COC(=O)[C@@H]1CS(=O)(=O)CCN1CCC1(C(=O)[O-])CCC1 ZINC001604293364 1018344979 /nfs/dbraw/zinc/34/49/79/1018344979.db2.gz SUDAJSZJZHHLNV-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C1(OC)CCOCC1 ZINC001604303069 1018345037 /nfs/dbraw/zinc/34/50/37/1018345037.db2.gz HOGMSZWUDUTJLX-UHFFFAOYSA-N -1 0 303.311 -0.342 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001604303540 1018345416 /nfs/dbraw/zinc/34/54/16/1018345416.db2.gz QFAMQTCNUOHQHF-AWEZNQCLSA-N -1 0 314.338 -0.279 20 0 DBADRM COC(=O)[C@@H]1CN(C)CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001604293588 1018346052 /nfs/dbraw/zinc/34/60/52/1018346052.db2.gz VAHGBYRILHWDQY-QMTHXVAHSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)n1)C1N=NC(=O)N1C ZINC001604296982 1018346452 /nfs/dbraw/zinc/34/64/52/1018346452.db2.gz YRNTUBAQXUEPDW-YFKPBYRVSA-N -1 0 309.286 -0.165 20 0 DBADRM COC(=O)C[C@]1(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCOC1 ZINC001604299661 1018347293 /nfs/dbraw/zinc/34/72/93/1018347293.db2.gz XBSQWEFNJSVMRY-PRHODGIISA-N -1 0 300.267 -0.946 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)/C=C\c1cnc(OC)nc1 ZINC001604303426 1018347366 /nfs/dbraw/zinc/34/73/66/1018347366.db2.gz MXPPWCKLHACITH-ARJAWSKDSA-N -1 0 323.305 -0.025 20 0 DBADRM COC(=O)C[C@H]1COCCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001604304102 1018349217 /nfs/dbraw/zinc/34/92/17/1018349217.db2.gz KNIIBMXUVGNUPI-IONNQARKSA-N -1 0 300.267 -0.994 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1cnn2c1NCCC2 ZINC001604310836 1018349256 /nfs/dbraw/zinc/34/92/56/1018349256.db2.gz GESCGOVOFLKTIE-UHFFFAOYSA-N -1 0 310.310 -0.211 20 0 DBADRM C[C@@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)[C@H]1CN(C)CCO1 ZINC001604306336 1018349675 /nfs/dbraw/zinc/34/96/75/1018349675.db2.gz QUHCKTPTMHGPKC-LZQZFOIKSA-N -1 0 300.355 -0.300 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@@H]1CCc2cncn2C1)C(=O)[O-] ZINC001604318315 1018351763 /nfs/dbraw/zinc/35/17/63/1018351763.db2.gz SOFPKDNVWLBHDA-KOLCDFICSA-N -1 0 309.322 -0.032 20 0 DBADRM COC(=O)CN(CN1C[C@H](C(=O)[O-])CC1=O)CC(F)(F)F ZINC001604326793 1018351943 /nfs/dbraw/zinc/35/19/43/1018351943.db2.gz ZTNOICDDUKWFRO-SSDOTTSWSA-N -1 0 312.244 -0.086 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1cc2c(cn1)OCCO2)C(=O)[O-] ZINC001604320723 1018352977 /nfs/dbraw/zinc/35/29/77/1018352977.db2.gz HISZWZDXBWCUIX-QMMMGPOBSA-N -1 0 324.289 -0.011 20 0 DBADRM COC(=O)N1CCC(NC(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001604345070 1018355928 /nfs/dbraw/zinc/35/59/28/1018355928.db2.gz ORGXPCVKPFXBPT-ZDUSSCGKSA-N -1 0 300.311 -0.033 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001604357964 1018358318 /nfs/dbraw/zinc/35/83/18/1018358318.db2.gz HZDBRZNUKOEDFQ-SSDOTTSWSA-N -1 0 301.324 -0.666 20 0 DBADRM COC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001604354430 1018358775 /nfs/dbraw/zinc/35/87/75/1018358775.db2.gz HNGRFEJVCWKYSY-UTLUCORTSA-N -1 0 320.367 -0.289 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604353645 1018359363 /nfs/dbraw/zinc/35/93/63/1018359363.db2.gz TZLMOIJVERSGPA-LURJTMIESA-N -1 0 322.281 -0.149 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001604358300 1018359400 /nfs/dbraw/zinc/35/94/00/1018359400.db2.gz MVBZYAUDZWYLPO-GUBZILKMSA-N -1 0 322.383 -0.690 20 0 DBADRM COC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cn(CC(=O)[O-])nn1 ZINC001604360729 1018361565 /nfs/dbraw/zinc/36/15/65/1018361565.db2.gz BDZQVNKYXXDUSB-OQPBUACISA-N -1 0 308.294 -0.470 20 0 DBADRM COC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c[nH]1 ZINC001604369421 1018362532 /nfs/dbraw/zinc/36/25/32/1018362532.db2.gz PHROYWNGSXPBJI-YMTOWFKASA-N -1 0 308.290 -0.026 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ccn(C)n1 ZINC001604359773 1018363264 /nfs/dbraw/zinc/36/32/64/1018363264.db2.gz XEWLCOLOIMVCBE-MRVPVSSYSA-N -1 0 313.339 -0.259 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cccnc1 ZINC001500623874 1018363961 /nfs/dbraw/zinc/36/39/61/1018363961.db2.gz FXQZZVRAZVRXGF-CQSZACIVSA-N -1 0 318.337 -0.728 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)C1 ZINC001604379707 1018364668 /nfs/dbraw/zinc/36/46/68/1018364668.db2.gz HJDVPOWJUNDFFY-WRWGMCAJSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001604378699 1018364724 /nfs/dbraw/zinc/36/47/24/1018364724.db2.gz PXYYZORFWAVLQR-ZIAGYGMSSA-N -1 0 312.297 -0.376 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001604378115 1018365072 /nfs/dbraw/zinc/36/50/72/1018365072.db2.gz JWNYPLARXNGMTD-GZMMTYOYSA-N -1 0 300.355 -0.121 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)N(C)CCC(=O)[O-])cn1C ZINC001604375620 1018365200 /nfs/dbraw/zinc/36/52/00/1018365200.db2.gz VCHACIPYQWVCDS-UHFFFAOYSA-N -1 0 311.294 -0.317 20 0 DBADRM C[C@@H](O)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CCO1 ZINC001604379464 1018365550 /nfs/dbraw/zinc/36/55/50/1018365550.db2.gz FAPYARXIZOVTAQ-VXNVDRBHSA-N -1 0 305.308 -0.252 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001604377089 1018365796 /nfs/dbraw/zinc/36/57/96/1018365796.db2.gz ACIDEUORERGECI-GMNPVEAJSA-N -1 0 312.366 -0.121 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccnc(O[C@@H]2CCOC2)c1)C(=O)[O-] ZINC001604373646 1018365988 /nfs/dbraw/zinc/36/59/88/1018365988.db2.gz YKSAPDXSNOJHGG-QMTHXVAHSA-N -1 0 310.306 -0.185 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCC2(C(=O)[O-])CCC2)n[nH]1 ZINC001604376600 1018366205 /nfs/dbraw/zinc/36/62/05/1018366205.db2.gz ZGAKOXJRJKEPQD-UHFFFAOYSA-N -1 0 317.323 -0.271 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)C1 ZINC001604379705 1018366691 /nfs/dbraw/zinc/36/66/91/1018366691.db2.gz HJDVPOWJUNDFFY-KXNHARMFSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC001604378369 1018366743 /nfs/dbraw/zinc/36/67/43/1018366743.db2.gz OAQNNEAAFXQKRU-NSHDSACASA-N -1 0 320.345 -0.021 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001604386179 1018367254 /nfs/dbraw/zinc/36/72/54/1018367254.db2.gz CXDFWBAIFIRUJL-MRVPVSSYSA-N -1 0 306.340 -0.913 20 0 DBADRM C[C@@H](O)[C@@H]1CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC001604381454 1018367292 /nfs/dbraw/zinc/36/72/92/1018367292.db2.gz VTGKGJHPUYQFQJ-ZNSHCXBVSA-N -1 0 307.368 -0.349 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)c2ccoc2CC(=O)[O-])CC1 ZINC001604380309 1018367370 /nfs/dbraw/zinc/36/73/70/1018367370.db2.gz ZETJTADPKQJQTO-SECBINFHSA-N -1 0 310.306 -0.428 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001604386183 1018367801 /nfs/dbraw/zinc/36/78/01/1018367801.db2.gz CXDFWBAIFIRUJL-QMMMGPOBSA-N -1 0 306.340 -0.913 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C1CC1 ZINC001604386665 1018368274 /nfs/dbraw/zinc/36/82/74/1018368274.db2.gz LUXBPTWFJMDVKJ-ZETCQYMHSA-N -1 0 310.310 -0.571 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001604387337 1018369081 /nfs/dbraw/zinc/36/90/81/1018369081.db2.gz UWCIQTRQBNWGNX-QMMMGPOBSA-N -1 0 321.326 -0.112 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)C1 ZINC001604381250 1018369414 /nfs/dbraw/zinc/36/94/14/1018369414.db2.gz STQKHCAYVOJZOB-WCQGTBRESA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H](O)CN(C(=O)Nc1cc(C(=O)[O-])n(C)n1)[C@@H](C)CO ZINC001604387431 1018369500 /nfs/dbraw/zinc/36/95/00/1018369500.db2.gz WEHKFNCJGQBCNF-YUMQZZPRSA-N -1 0 300.315 -0.286 20 0 DBADRM COC(=O)c1ccc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)nn1 ZINC001604391635 1018370193 /nfs/dbraw/zinc/37/01/93/1018370193.db2.gz WNKBPWDKZVYLDU-MRVPVSSYSA-N -1 0 310.266 -0.420 20 0 DBADRM C[C@H](OC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)C(=O)[O-] ZINC001604392930 1018370277 /nfs/dbraw/zinc/37/02/77/1018370277.db2.gz NVMJDNMUSLNHDL-XPUUQOCRSA-N -1 0 309.340 -0.464 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)NCc2ccnc(C(=O)[O-])c2)nn1 ZINC001604388556 1018372378 /nfs/dbraw/zinc/37/23/78/1018372378.db2.gz FEFUYVAHLWIADY-MRVPVSSYSA-N -1 0 305.294 -0.259 20 0 DBADRM C[C@H](OC(=O)CCCS(C)(=O)=O)c1cn(CC(=O)[O-])nn1 ZINC001604397148 1018372562 /nfs/dbraw/zinc/37/25/62/1018372562.db2.gz GIPLQSFBNXCBON-QMMMGPOBSA-N -1 0 319.339 -0.208 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC001604407576 1018374666 /nfs/dbraw/zinc/37/46/66/1018374666.db2.gz WVPPZEYDHJSNNJ-YUMQZZPRSA-N -1 0 312.278 -0.470 20 0 DBADRM C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)NCC(=O)[O-] ZINC001604414447 1018374750 /nfs/dbraw/zinc/37/47/50/1018374750.db2.gz UBTNDWRWKLLXDZ-SSDOTTSWSA-N -1 0 322.273 -0.236 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001604403301 1018375115 /nfs/dbraw/zinc/37/51/15/1018375115.db2.gz JFXJCFJYKIMNMG-ZETCQYMHSA-N -1 0 317.323 -0.318 20 0 DBADRM COC(=O)c1ncoc1CCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001604410770 1018375281 /nfs/dbraw/zinc/37/52/81/1018375281.db2.gz DVKBQYSCJJTVOL-SECBINFHSA-N -1 0 312.278 -0.294 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001604421809 1018376639 /nfs/dbraw/zinc/37/66/39/1018376639.db2.gz AFKIAUMZWRUWQY-MMIJRFEOSA-N -1 0 301.339 -0.088 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC(c1nccn1C)c1nccn1C ZINC001604422897 1018377037 /nfs/dbraw/zinc/37/70/37/1018377037.db2.gz ABSGTCRDGPDQHU-VIFPVBQESA-N -1 0 307.310 -0.541 20 0 DBADRM C[C@@H](OC[C@H]1CCCO1)C(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001604421807 1018377510 /nfs/dbraw/zinc/37/75/10/1018377510.db2.gz AFKIAUMZWRUWQY-FQYCYVTBSA-N -1 0 301.339 -0.088 20 0 DBADRM C[C@H](OC(=O)c1nccnc1N)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001604418546 1018377930 /nfs/dbraw/zinc/37/79/30/1018377930.db2.gz HERAPPCZWFBDOK-QMMMGPOBSA-N -1 0 322.321 -0.073 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCNC(=O)[C@@H]1c1ccccc1F ZINC001604420752 1018378431 /nfs/dbraw/zinc/37/84/31/1018378431.db2.gz CNIPECIEZAWMHN-WDEREUQCSA-N -1 0 310.281 -0.075 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCC(=O)N(C)OCC(F)(F)F ZINC001604424869 1018379437 /nfs/dbraw/zinc/37/94/37/1018379437.db2.gz WTTDSVKBDSTDPT-LURJTMIESA-N -1 0 302.205 -0.846 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 ZINC001604431884 1018380641 /nfs/dbraw/zinc/38/06/41/1018380641.db2.gz ISFYLIHCSNZKEC-ONGXEEELSA-N -1 0 312.326 -0.503 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC001604432566 1018380680 /nfs/dbraw/zinc/38/06/80/1018380680.db2.gz RZTZDSKOGYUIAX-GFCCVEGCSA-N -1 0 312.297 -0.300 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1cnc(Br)cn1 ZINC001604432532 1018380991 /nfs/dbraw/zinc/38/09/91/1018380991.db2.gz RNEWEIUGLOSHPJ-SSDOTTSWSA-N -1 0 304.100 -0.045 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1cccc(-c2nn[nH]n2)n1 ZINC001604437794 1018381338 /nfs/dbraw/zinc/38/13/38/1018381338.db2.gz JCFLIGDLSPUSRU-UHFFFAOYSA-N -1 0 306.286 -0.549 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC001604424850 1018381419 /nfs/dbraw/zinc/38/14/19/1018381419.db2.gz WEMGRYPUUHWGAZ-MNOVXSKESA-N -1 0 313.331 -0.128 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001604458288 1018383403 /nfs/dbraw/zinc/38/34/03/1018383403.db2.gz ADTHOACVZVHESW-QPUJVOFHSA-N -1 0 314.367 -0.097 20 0 DBADRM C[C@@H](Sc1nnc(-c2cnccn2)n1C)C(=O)NCC(=O)[O-] ZINC001604459043 1018383416 /nfs/dbraw/zinc/38/34/16/1018383416.db2.gz NPQRNBZNOSVUFY-SSDOTTSWSA-N -1 0 322.350 -0.047 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC001604442495 1018383836 /nfs/dbraw/zinc/38/38/36/1018383836.db2.gz VOHBHHJMEQGVFF-NSHDSACASA-N -1 0 323.305 -0.670 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC001604450061 1018384408 /nfs/dbraw/zinc/38/44/08/1018384408.db2.gz ARZGXUZMEHWQPF-SKDRFNHKSA-N -1 0 307.368 -0.241 20 0 DBADRM C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)NCC(=O)[O-] ZINC001604458845 1018384983 /nfs/dbraw/zinc/38/49/83/1018384983.db2.gz JJSSIUZZDCNHIZ-YUMQZZPRSA-N -1 0 315.355 -0.467 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)OC[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001604445937 1018385123 /nfs/dbraw/zinc/38/51/23/1018385123.db2.gz NPOIOEFUVYMDBF-BDAKNGLRSA-N -1 0 309.340 -0.699 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)OC[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001604445940 1018385139 /nfs/dbraw/zinc/38/51/39/1018385139.db2.gz NPOIOEFUVYMDBF-RKDXNWHRSA-N -1 0 309.340 -0.699 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC001604454943 1018385174 /nfs/dbraw/zinc/38/51/74/1018385174.db2.gz JCDZYUDQDRUQJO-CQSZACIVSA-N -1 0 315.370 -0.855 20 0 DBADRM CO[C@H](CNC(=O)c1cccn(CC(=O)[O-])c1=O)[C@H]1CCOC1 ZINC001604481445 1018386387 /nfs/dbraw/zinc/38/63/87/1018386387.db2.gz MOJXDNBTOVFFNJ-CMPLNLGQSA-N -1 0 324.333 -0.286 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001604471552 1018386443 /nfs/dbraw/zinc/38/64/43/1018386443.db2.gz ACYPCGMAXDZYLS-VHSXEESVSA-N -1 0 322.383 -0.594 20 0 DBADRM C[C@H](c1nnnn1C)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001604480664 1018386688 /nfs/dbraw/zinc/38/66/88/1018386688.db2.gz LLLNHQRKGVXCIP-RKDXNWHRSA-N -1 0 306.330 -0.102 20 0 DBADRM COC(OC)[C@@H](C)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001604480919 1018387561 /nfs/dbraw/zinc/38/75/61/1018387561.db2.gz QHSAMVSLRSPMJA-ZDMBXUJBSA-N -1 0 302.327 -0.264 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])CCOC1 ZINC001604487897 1018389348 /nfs/dbraw/zinc/38/93/48/1018389348.db2.gz YMEYBPCEXAXPPR-CQSZACIVSA-N -1 0 323.305 -0.360 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001604488216 1018389414 /nfs/dbraw/zinc/38/94/14/1018389414.db2.gz VQZVXUDVZPLVLV-NXEZZACHSA-N -1 0 316.369 -0.005 20 0 DBADRM CO[C@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001604500947 1018392754 /nfs/dbraw/zinc/39/27/54/1018392754.db2.gz LEAKXVYSGILVOP-ZJUUUORDSA-N -1 0 324.337 -0.163 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)nc2C1 ZINC001604500758 1018393245 /nfs/dbraw/zinc/39/32/45/1018393245.db2.gz FVQNRLPWWBAPRK-OTYXRUKQSA-N -1 0 309.322 -0.182 20 0 DBADRM CC1(C)CC(NC(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001604515564 1018394659 /nfs/dbraw/zinc/39/46/59/1018394659.db2.gz MDHFYKWLLSNRJT-LLVKDONJSA-N -1 0 312.366 -0.025 20 0 DBADRM CO[C@H]1COCC[C@H]1N(C)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001604505006 1018394661 /nfs/dbraw/zinc/39/46/61/1018394661.db2.gz LUXDHQWGRRDHSK-YTWAJWBKSA-N -1 0 314.338 -0.772 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C(C)C ZINC001604514448 1018394741 /nfs/dbraw/zinc/39/47/41/1018394741.db2.gz GISLNMNEQNQYMH-MNOVXSKESA-N -1 0 316.354 -0.667 20 0 DBADRM COCC(=O)NC1CCN(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC001604504642 1018394955 /nfs/dbraw/zinc/39/49/55/1018394955.db2.gz DILKIKSBOMTIJG-VIFPVBQESA-N -1 0 301.343 -0.356 20 0 DBADRM CC1(C)C[C@H](CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])CCO1 ZINC001604514759 1018395693 /nfs/dbraw/zinc/39/56/93/1018395693.db2.gz QHDLIYUICAKMRK-BDAKNGLRSA-N -1 0 304.318 -0.153 20 0 DBADRM COCC(C)(C)CCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001604507903 1018395755 /nfs/dbraw/zinc/39/57/55/1018395755.db2.gz WWYIPYGXTJBYKK-JTQLQIEISA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CSCC(=O)N2)C1 ZINC001604534735 1018396274 /nfs/dbraw/zinc/39/62/74/1018396274.db2.gz YDQLWMUYCXVIMQ-UFBFGSQYSA-N -1 0 302.352 -0.832 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)CO1 ZINC001604518497 1018396454 /nfs/dbraw/zinc/39/64/54/1018396454.db2.gz IOKJIEMKXHIZSP-CABZTGNLSA-N -1 0 307.368 -0.035 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)Cn2cncn2)C1 ZINC001604526016 1018396644 /nfs/dbraw/zinc/39/66/44/1018396644.db2.gz DVBCLLPDXBYDGY-GWCFXTLKSA-N -1 0 311.342 -0.201 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccnc2)C1 ZINC001604523200 1018398141 /nfs/dbraw/zinc/39/81/41/1018398141.db2.gz NPWXTFLAMVCTJS-CQSZACIVSA-N -1 0 307.306 -0.030 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)Cn2cncn2)C1 ZINC001604526019 1018398195 /nfs/dbraw/zinc/39/81/95/1018398195.db2.gz DVBCLLPDXBYDGY-ZWNOBZJWSA-N -1 0 311.342 -0.201 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@]2(O)CCSC2)CCO1 ZINC001604549121 1018398913 /nfs/dbraw/zinc/39/89/13/1018398913.db2.gz BIPBHVWISUZOTN-RYUDHWBXSA-N -1 0 305.352 -0.817 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC001604556542 1018399195 /nfs/dbraw/zinc/39/91/95/1018399195.db2.gz ASQGRVMKNRAUQX-DGCLKSJQSA-N -1 0 321.395 -0.387 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)/C=C/c2cnccn2)CCO1 ZINC001604549966 1018399876 /nfs/dbraw/zinc/39/98/76/1018399876.db2.gz FJBGPYRQBICVLZ-BAABZTOOSA-N -1 0 307.306 -0.182 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NC[C@H](F)C(=O)OC)CCO1 ZINC001604550121 1018399932 /nfs/dbraw/zinc/39/99/32/1018399932.db2.gz IGMGXMPUUJFRPR-QPUJVOFHSA-N -1 0 322.289 -0.991 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CN2CCSC2=O)CCO1 ZINC001604549915 1018400273 /nfs/dbraw/zinc/40/02/73/1018400273.db2.gz DSFZLATYMKEFFO-LBPRGKRZSA-N -1 0 318.351 -0.516 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@@H]2C[C@H]3COC[C@H]3O2)CCO1 ZINC001604557536 1018402029 /nfs/dbraw/zinc/40/20/29/1018402029.db2.gz HMWDGXZEHDBFNR-FMSGJZPZSA-N -1 0 301.339 -0.408 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2ncc(OC)cn2)CCO1 ZINC001604559373 1018402277 /nfs/dbraw/zinc/40/22/77/1018402277.db2.gz XQIODBFPNDSHJR-CYBMUJFWSA-N -1 0 311.294 -0.573 20 0 DBADRM CC1(C)OCC(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])CO1 ZINC001604560108 1018402493 /nfs/dbraw/zinc/40/24/93/1018402493.db2.gz OKPMPSMNIUJUQT-SNVBAGLBSA-N -1 0 314.338 -0.280 20 0 DBADRM COC[C@]1(C(=O)[O-])CN([C@H]2CCN(C3CCC3)C2=O)CCO1 ZINC001604557798 1018402926 /nfs/dbraw/zinc/40/29/26/1018402926.db2.gz JLVCDGNPJJADFT-WFASDCNBSA-N -1 0 312.366 -0.058 20 0 DBADRM CC1(C)OC[C@@H](CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])O1 ZINC001604560302 1018402948 /nfs/dbraw/zinc/40/29/48/1018402948.db2.gz QPRLFKZUNWZVIV-NXEZZACHSA-N -1 0 307.368 -0.288 20 0 DBADRM C[C@]1(CCC(=O)[O-])NC(=O)N(CN2CCC3(COC3)C2)C1=O ZINC001604571682 1018405056 /nfs/dbraw/zinc/40/50/56/1018405056.db2.gz MHVJQAODFVRWLU-CYBMUJFWSA-N -1 0 311.338 -0.159 20 0 DBADRM COCC1(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CC1 ZINC001604567034 1018405164 /nfs/dbraw/zinc/40/51/64/1018405164.db2.gz ONNFPCJAJYCDRV-UHFFFAOYSA-N -1 0 319.379 -0.191 20 0 DBADRM COC[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001604566881 1018405550 /nfs/dbraw/zinc/40/55/50/1018405550.db2.gz ARBNXZWZFXHWGM-SNVBAGLBSA-N -1 0 324.337 -0.209 20 0 DBADRM COCCN(CC(=O)NCC(=O)[O-])C[C@H](O)C(F)(F)F ZINC001604583769 1018406379 /nfs/dbraw/zinc/40/63/79/1018406379.db2.gz BTEBNFGDGFDEDL-ZETCQYMHSA-N -1 0 302.249 -0.941 20 0 DBADRM COC[C@H]1COCCN1C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604573320 1018406686 /nfs/dbraw/zinc/40/66/86/1018406686.db2.gz CVFKCZFGPISYQA-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@]1(CNS(=O)(=O)c2cccnc2C(=O)[O-])CCC(=O)N1 ZINC001604583793 1018406728 /nfs/dbraw/zinc/40/67/28/1018406728.db2.gz ANOMEIHXMTWJDJ-GFCCVEGCSA-N -1 0 313.335 -0.273 20 0 DBADRM COCCCN(CCO)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604578788 1018407085 /nfs/dbraw/zinc/40/70/85/1018407085.db2.gz SDQIJVUZXUDHJA-LLVKDONJSA-N -1 0 316.354 -0.833 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccn(CCn2cccn2)n1 ZINC001604592927 1018409367 /nfs/dbraw/zinc/40/93/67/1018409367.db2.gz VWVQGQRBRCSUSM-UHFFFAOYSA-N -1 0 321.337 -0.047 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC001604592974 1018410036 /nfs/dbraw/zinc/41/00/36/1018410036.db2.gz ZYVIHPGDMPEREV-UHFFFAOYSA-N -1 0 322.321 -0.357 20 0 DBADRM CC1(F)CCN(C(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001604585822 1018410133 /nfs/dbraw/zinc/41/01/33/1018410133.db2.gz MBOOLAHLWFCDKS-NXEZZACHSA-N -1 0 316.329 -0.057 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1COC(C)(C)C1 ZINC001604597491 1018410436 /nfs/dbraw/zinc/41/04/36/1018410436.db2.gz HBMCLCAIUMHMAM-SNVBAGLBSA-N -1 0 316.354 -0.380 20 0 DBADRM CC1(Cn2cc(C(=O)N3CCC[C@H](O)[C@@H]3C(=O)[O-])nn2)COC1 ZINC001604588295 1018410483 /nfs/dbraw/zinc/41/04/83/1018410483.db2.gz UPWMCBYQYLICTA-WDEREUQCSA-N -1 0 324.337 -0.635 20 0 DBADRM CC1=C(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)Cn2nnnc2N1C ZINC001604607381 1018411402 /nfs/dbraw/zinc/41/14/02/1018411402.db2.gz JRHNCWDJYCCFBI-XVKPBYJWSA-N -1 0 322.325 -0.903 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1c(C)c(C)nn(C)c1=O ZINC001604600183 1018413399 /nfs/dbraw/zinc/41/33/99/1018413399.db2.gz JIXBDQBLVSASQG-UHFFFAOYSA-N -1 0 311.338 -0.040 20 0 DBADRM C[C@@H]1C(=O)N(NC(=O)CCCn2ccc(C(=O)[O-])n2)C(=O)N1C ZINC001604620843 1018414365 /nfs/dbraw/zinc/41/43/65/1018414365.db2.gz CWGQDAHCLFFPTD-MRVPVSSYSA-N -1 0 323.309 -0.325 20 0 DBADRM COCCOC1(CNC(=O)[C@](C)(OC)C(=O)[O-])CCOCC1 ZINC001604611675 1018414787 /nfs/dbraw/zinc/41/47/87/1018414787.db2.gz IMUIJAGQAHSYPP-ZDUSSCGKSA-N -1 0 319.354 -0.196 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1=O ZINC001604614262 1018415465 /nfs/dbraw/zinc/41/54/65/1018415465.db2.gz BPISNJZSLCNZTK-QWRGUYRKSA-N -1 0 324.333 -0.624 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cncnc1N(C)C ZINC001604628405 1018417083 /nfs/dbraw/zinc/41/70/83/1018417083.db2.gz ZOQHOSIPUOYQIP-RKDXNWHRSA-N -1 0 321.337 -0.197 20 0 DBADRM COCCn1ccc(C(=O)N(CCC(=O)OC)CC(=O)[O-])n1 ZINC001604629788 1018417783 /nfs/dbraw/zinc/41/77/83/1018417783.db2.gz JEBQJCHZBSSMAV-UHFFFAOYSA-N -1 0 313.310 -0.381 20 0 DBADRM COCc1cc(C(=O)N2CCO[C@](COC)(C(=O)[O-])C2)no1 ZINC001604640954 1018420806 /nfs/dbraw/zinc/42/08/06/1018420806.db2.gz WWYVHAIWTRAVGW-CYBMUJFWSA-N -1 0 314.294 -0.237 20 0 DBADRM C[C@@H]1[C@H](OC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC(=O)N1C ZINC001604647538 1018420929 /nfs/dbraw/zinc/42/09/29/1018420929.db2.gz YPLARGCISXTUOG-OPRDCNLKSA-N -1 0 312.322 -0.528 20 0 DBADRM C[C@@H]1[C@@H](OC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC(=O)N1C ZINC001604647532 1018420956 /nfs/dbraw/zinc/42/09/56/1018420956.db2.gz YPLARGCISXTUOG-BBBLOLIVSA-N -1 0 312.322 -0.528 20 0 DBADRM C[C@H]1CC(=O)NCCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001604647469 1018421118 /nfs/dbraw/zinc/42/11/18/1018421118.db2.gz OVTUJPUHILMDPR-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM COCc1nn(C)cc1C(=O)OCc1cn(CC(=O)[O-])nn1 ZINC001604651223 1018422296 /nfs/dbraw/zinc/42/22/96/1018422296.db2.gz IUQSDZFMOIOXTA-UHFFFAOYSA-N -1 0 309.282 -0.400 20 0 DBADRM CON1CC[C@H](n2cc(CN3CCC[C@@H]3C(=O)[O-])nn2)C1=O ZINC001604661720 1018422784 /nfs/dbraw/zinc/42/27/84/1018422784.db2.gz OVWYVRYXRKVXGY-WDEREUQCSA-N -1 0 309.326 -0.338 20 0 DBADRM CON(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001604663581 1018426257 /nfs/dbraw/zinc/42/62/57/1018426257.db2.gz YPRQMBNEVPMSTD-VHSXEESVSA-N -1 0 324.337 -0.543 20 0 DBADRM CON(C)C[C@H](O)Cn1cc(NC(=O)[C@H](C)C(=O)[O-])cn1 ZINC001604663471 1018426351 /nfs/dbraw/zinc/42/63/51/1018426351.db2.gz SWSZQMQGBHXXBI-WPRPVWTQSA-N -1 0 300.315 -0.604 20 0 DBADRM CON1CC[C@@H](OC(=O)C2(CC(=O)[O-])CCOCC2)C1=O ZINC001604661819 1018426505 /nfs/dbraw/zinc/42/65/05/1018426505.db2.gz UGBNDFZWYPPPGQ-SECBINFHSA-N -1 0 301.295 -0.037 20 0 DBADRM C[C@@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C(=O)N1c1cnn(C)c1 ZINC001604675885 1018427077 /nfs/dbraw/zinc/42/70/77/1018427077.db2.gz BFICLNSCQDZLPC-PSASIEDQSA-N -1 0 316.321 -0.064 20 0 DBADRM C[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C(=O)N1c1cnn(C)c1 ZINC001604675891 1018427448 /nfs/dbraw/zinc/42/74/48/1018427448.db2.gz BFICLNSCQDZLPC-WPRPVWTQSA-N -1 0 316.321 -0.064 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H]1C[C@@H](C)O[C@@H]1C)C(=O)[O-] ZINC001604675493 1018427743 /nfs/dbraw/zinc/42/77/43/1018427743.db2.gz DXQRWHIRIXZZIQ-KBDSZGMXSA-N -1 0 301.343 -0.171 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@H]2CCS(=O)(=O)[C@H](C)C2)O[C@H]1C(=O)[O-] ZINC001604674630 1018428375 /nfs/dbraw/zinc/42/83/75/1018428375.db2.gz YXFAQXHLQWAEBW-KAMPLNKDSA-N -1 0 319.379 -0.054 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)NCCn2cc(C(=O)[O-])nn2)c2ncnn21 ZINC001604677256 1018428552 /nfs/dbraw/zinc/42/85/52/1018428552.db2.gz SIPXCVOXBMSDLV-JGVFFNPUSA-N -1 0 320.313 -0.427 20 0 DBADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001604682554 1018431748 /nfs/dbraw/zinc/43/17/48/1018431748.db2.gz DNGXKNCTKXGYLF-HTXLXMOSSA-N -1 0 324.377 -0.311 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CC12CCC2 ZINC001500732696 1018432571 /nfs/dbraw/zinc/43/25/71/1018432571.db2.gz MFAMGNZWLYXOKO-MEBBXXQBSA-N -1 0 321.381 -0.247 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)NCCOCC(=O)[O-])CS1(=O)=O ZINC001604703252 1018433406 /nfs/dbraw/zinc/43/34/06/1018433406.db2.gz HNERGCLUUJZLBB-BDAKNGLRSA-N -1 0 308.356 -0.648 20 0 DBADRM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1Cc1nc(N)nc(N)n1 ZINC001604713565 1018433808 /nfs/dbraw/zinc/43/38/08/1018433808.db2.gz LJOLNFOMCYEZHK-RYPBNFRJSA-N -1 0 308.342 -0.369 20 0 DBADRM C[C@@H]1CCCCN1S(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001604733824 1018436298 /nfs/dbraw/zinc/43/62/98/1018436298.db2.gz HCSQFPXBRJDOQR-ZJUUUORDSA-N -1 0 322.383 -0.089 20 0 DBADRM COc1cc(OC)nc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001604739422 1018436841 /nfs/dbraw/zinc/43/68/41/1018436841.db2.gz ZIYNMQKYKCMTLM-RTHLEPHNSA-N -1 0 323.305 -0.333 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@H]1CCO ZINC001604733914 1018436943 /nfs/dbraw/zinc/43/69/43/1018436943.db2.gz JZYGMUKHPHWFAH-GUBZILKMSA-N -1 0 304.318 -0.465 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001604739660 1018437274 /nfs/dbraw/zinc/43/72/74/1018437274.db2.gz CZRLTDKDZSVBHD-BDAKNGLRSA-N -1 0 308.356 -0.479 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)C1 ZINC001604757378 1018438529 /nfs/dbraw/zinc/43/85/29/1018438529.db2.gz OMUKZINSILSROQ-VWYCJHECSA-N -1 0 306.384 -0.100 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001604758411 1018438863 /nfs/dbraw/zinc/43/88/63/1018438863.db2.gz AOUMAGKVEQMONF-CBAPKCEASA-N -1 0 313.335 -0.417 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)C1 ZINC001604757375 1018438972 /nfs/dbraw/zinc/43/89/72/1018438972.db2.gz OMUKZINSILSROQ-GMTAPVOTSA-N -1 0 306.384 -0.100 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@H]1CO ZINC001604757171 1018439036 /nfs/dbraw/zinc/43/90/36/1018439036.db2.gz IKXWBTFLJGMLBV-JQWIXIFHSA-N -1 0 320.411 -0.022 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)[C@H](C(N)=O)C1 ZINC001604758900 1018439378 /nfs/dbraw/zinc/43/93/78/1018439378.db2.gz BXVQZDMQKBHPHM-QEYWKRMJSA-N -1 0 304.368 -0.235 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@@H]1CO ZINC001604757170 1018439533 /nfs/dbraw/zinc/43/95/33/1018439533.db2.gz IKXWBTFLJGMLBV-CMPLNLGQSA-N -1 0 320.411 -0.022 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)C1 ZINC001604757377 1018440143 /nfs/dbraw/zinc/44/01/43/1018440143.db2.gz OMUKZINSILSROQ-OUAUKWLOSA-N -1 0 306.384 -0.100 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001604758413 1018440252 /nfs/dbraw/zinc/44/02/52/1018440252.db2.gz AOUMAGKVEQMONF-VXNVDRBHSA-N -1 0 313.335 -0.417 20 0 DBADRM C[C@H]1CCN(CC(=O)NCC(=O)N2CCCC2)[C@H](C(=O)[O-])C1 ZINC001604753328 1018440389 /nfs/dbraw/zinc/44/03/89/1018440389.db2.gz VWMPZCURGOJWSA-RYUDHWBXSA-N -1 0 311.382 -0.090 20 0 DBADRM COc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cn1 ZINC001604762733 1018441701 /nfs/dbraw/zinc/44/17/01/1018441701.db2.gz NIJDDDCWHXGTSE-SECBINFHSA-N -1 0 314.319 -0.586 20 0 DBADRM C[C@@H]1CN(C(=O)CCCn2ccc(C(=O)[O-])n2)CCN1CCO ZINC001604768794 1018442125 /nfs/dbraw/zinc/44/21/25/1018442125.db2.gz IBXSLEKSUNOUJT-GFCCVEGCSA-N -1 0 324.381 -0.114 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC[C@@H](O)[C@H]2C(=O)[O-])CC(C)(C)O1 ZINC001604768830 1018442253 /nfs/dbraw/zinc/44/22/53/1018442253.db2.gz IRCZCGOPVFMGSJ-WZRBSPASSA-N -1 0 314.382 -0.078 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC[S@@]1=O ZINC001604760473 1018442418 /nfs/dbraw/zinc/44/24/18/1018442418.db2.gz MCLJFASGIDJIBM-XJZHNMMOSA-N -1 0 321.380 -0.361 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)Cn2cc(C(=O)[O-])cn2)CCO1 ZINC001604768248 1018442613 /nfs/dbraw/zinc/44/26/13/1018442613.db2.gz BGOZPSUCTVQANO-SECBINFHSA-N -1 0 311.294 -0.628 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC[S@]1=O ZINC001604760474 1018442666 /nfs/dbraw/zinc/44/26/66/1018442666.db2.gz MCLJFASGIDJIBM-QOLSBQFWSA-N -1 0 321.380 -0.361 20 0 DBADRM C[C@H]1CN(C(=O)CCCn2ccc(C(=O)[O-])n2)CCN1CCO ZINC001604768795 1018442790 /nfs/dbraw/zinc/44/27/90/1018442790.db2.gz IBXSLEKSUNOUJT-LBPRGKRZSA-N -1 0 324.381 -0.114 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCCO[C@H](C)C2)C[C@@H](C(=O)[O-])O1 ZINC001604769228 1018444954 /nfs/dbraw/zinc/44/49/54/1018444954.db2.gz SEDKJZAJNFSSRA-VWYCJHECSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C[C@H](C)[C@H]1O ZINC001604770339 1018446016 /nfs/dbraw/zinc/44/60/16/1018446016.db2.gz SBEXCGPFWSYAMS-XZUYRWCXSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC[S@@](=O)C1 ZINC001604775012 1018448017 /nfs/dbraw/zinc/44/80/17/1018448017.db2.gz DLTKHIRYVRYPCI-DBRKDXFPSA-N -1 0 318.395 -0.114 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])no2)CCS(=O)(=O)C1 ZINC001604780803 1018448678 /nfs/dbraw/zinc/44/86/78/1018448678.db2.gz LXUBKSFMXKPNOA-ZETCQYMHSA-N -1 0 302.308 -0.121 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001604785977 1018448802 /nfs/dbraw/zinc/44/88/02/1018448802.db2.gz JKKZFFXRIJHNKV-SSDOTTSWSA-N -1 0 302.308 -0.171 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC[S@](=O)C1 ZINC001604775014 1018448934 /nfs/dbraw/zinc/44/89/34/1018448934.db2.gz DLTKHIRYVRYPCI-KHPHAOCHSA-N -1 0 318.395 -0.114 20 0 DBADRM CN(COc1ccc(F)nc1-c1nnn[n-]1)S(C)(=O)=O ZINC001604793474 1018449699 /nfs/dbraw/zinc/44/96/99/1018449699.db2.gz BAUATKMQZXJFEV-UHFFFAOYSA-N -1 0 302.291 -0.372 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)NCC1(C)CC1 ZINC001604788454 1018450117 /nfs/dbraw/zinc/45/01/17/1018450117.db2.gz MPXBDIVMGDZYJC-LLVKDONJSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@@H]1CN(CCNS(=O)(=O)CC2(CC(=O)[O-])CC2)CCO1 ZINC001604795335 1018451121 /nfs/dbraw/zinc/45/11/21/1018451121.db2.gz ATVXTODPGVXYJU-LLVKDONJSA-N -1 0 320.411 -0.119 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)Cc1ccon1 ZINC001604795418 1018451460 /nfs/dbraw/zinc/45/14/60/1018451460.db2.gz XJNJREMVYYGHMZ-JTQLQIEISA-N -1 0 317.367 -0.015 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)[C@@H]1CCOC1 ZINC001604793596 1018451808 /nfs/dbraw/zinc/45/18/08/1018451808.db2.gz BJMOWHLSTACHGG-GHMZBOCLSA-N -1 0 306.384 -0.414 20 0 DBADRM C[C@@H]1CN(CCO)CCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001604798380 1018453784 /nfs/dbraw/zinc/45/37/84/1018453784.db2.gz UJDMRFZNNXVDSI-MXWKQRLJSA-N -1 0 306.384 -0.822 20 0 DBADRM C[C@H]1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC[S@@](=O)C1 ZINC001604803325 1018453915 /nfs/dbraw/zinc/45/39/15/1018453915.db2.gz QRNUZHJKKULCNX-HYATYUELSA-N -1 0 309.409 -0.120 20 0 DBADRM C[C@H]1CN(CCNC(=O)Cn2cccc(C(=O)[O-])c2=O)CCO1 ZINC001604795997 1018454086 /nfs/dbraw/zinc/45/40/86/1018454086.db2.gz JFDDWJZPKSBPKG-NSHDSACASA-N -1 0 323.349 -0.617 20 0 DBADRM C[C@@H]1CN(CCO)CCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001604798366 1018454123 /nfs/dbraw/zinc/45/41/23/1018454123.db2.gz TYTIKFXABWYQNJ-SECBINFHSA-N -1 0 317.367 -0.600 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC[S@](=O)C1 ZINC001604803783 1018454199 /nfs/dbraw/zinc/45/41/99/1018454199.db2.gz WESJRCNWKJHNOA-XJZHNMMOSA-N -1 0 321.380 -0.503 20 0 DBADRM C[C@@H]1CN(CCN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C[C@@H](C)O1 ZINC001604797277 1018454287 /nfs/dbraw/zinc/45/42/87/1018454287.db2.gz VAWKWIPDFHKQFU-IJLUTSLNSA-N -1 0 320.411 -0.721 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001604816673 1018455573 /nfs/dbraw/zinc/45/55/73/1018455573.db2.gz HOWGVOSHSFCHRD-RKDXNWHRSA-N -1 0 323.305 -0.674 20 0 DBADRM C[C@H]1CN(c2nnnn2C2CC(CC(=O)[O-])C2)CC(=O)N1C ZINC001604814815 1018455633 /nfs/dbraw/zinc/45/56/33/1018455633.db2.gz HWBYYTHMHXEZGC-IDKOKCKLSA-N -1 0 308.342 -0.234 20 0 DBADRM C[C@H]1COCC[C@@H]1S(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC001604820445 1018456637 /nfs/dbraw/zinc/45/66/37/1018456637.db2.gz QYINQKXORCOJSX-QWRGUYRKSA-N -1 0 306.384 -0.557 20 0 DBADRM CN(Cc1ccncc1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604822015 1018456942 /nfs/dbraw/zinc/45/69/42/1018456942.db2.gz TWUYJWAOAOSOGI-UHFFFAOYSA-N -1 0 314.309 -0.715 20 0 DBADRM C[C@@H]1COC[C@H]1NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001604818431 1018457099 /nfs/dbraw/zinc/45/70/99/1018457099.db2.gz XPRXZSIRURCMQR-QSZMHOAKSA-N -1 0 310.350 -0.247 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H](OC)C(=O)[O-] ZINC001604829447 1018458025 /nfs/dbraw/zinc/45/80/25/1018458025.db2.gz ZQEGLWRAGXLFID-VIFPVBQESA-N -1 0 318.307 -0.619 20 0 DBADRM CN(c1ncccn1)S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001604835584 1018458872 /nfs/dbraw/zinc/45/88/72/1018458872.db2.gz BTPXDWRUKSUGHD-UHFFFAOYSA-N -1 0 318.322 -0.123 20 0 DBADRM CN(c1nnc(Cn2cnc(-c3nnn[n-]3)n2)n1C)C1CC1 ZINC001604839752 1018461131 /nfs/dbraw/zinc/46/11/31/1018461131.db2.gz QJAZZOMMRLYVAZ-UHFFFAOYSA-N -1 0 301.318 -0.766 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C)[C@@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001604838177 1018462101 /nfs/dbraw/zinc/46/21/01/1018462101.db2.gz RCSDMNVZMQROJE-RCWTZXSCSA-N -1 0 314.338 -0.677 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCn2cnnc2[C@@H]1C)C(=O)[O-] ZINC001604844503 1018462378 /nfs/dbraw/zinc/46/23/78/1018462378.db2.gz HXPFNDBJRZBVQO-CIUDSAMLSA-N -1 0 324.341 -0.658 20 0 DBADRM C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)CCC(N)=O ZINC001604839836 1018462421 /nfs/dbraw/zinc/46/24/21/1018462421.db2.gz ZRFUPNHPDJXBLK-JGVFFNPUSA-N -1 0 317.367 -0.867 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CN1c2ccccc2O[C@@H](C)C1=O)C(=O)[O-] ZINC001604837885 1018462447 /nfs/dbraw/zinc/46/24/47/1018462447.db2.gz PAXVLDYWANXOQK-ZDMBXUJBSA-N -1 0 322.317 -0.249 20 0 DBADRM C/C=C/C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)OCC ZINC001604853420 1018464442 /nfs/dbraw/zinc/46/44/42/1018464442.db2.gz YFQWGOBUYHVBGQ-SGRBOOSSSA-N -1 0 310.310 -0.010 20 0 DBADRM C/C=C\C[C@@H]1CCCN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001604852298 1018466021 /nfs/dbraw/zinc/46/60/21/1018466021.db2.gz PFEVOAZQAPQXKH-OTDNITJGSA-N -1 0 310.350 -0.151 20 0 DBADRM COc1cccc(C[C@@H](O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC001604862947 1018469411 /nfs/dbraw/zinc/46/94/11/1018469411.db2.gz JFUDGVINNAKIHB-CHWSQXEVSA-N -1 0 309.318 -0.089 20 0 DBADRM CC[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-])[C@@H](C)O ZINC001604867699 1018472366 /nfs/dbraw/zinc/47/23/66/1018472366.db2.gz BDFYBARDVOWFJR-UTLUCORTSA-N -1 0 307.368 -0.506 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001604875653 1018474816 /nfs/dbraw/zinc/47/48/16/1018474816.db2.gz AGWNMQHJRGXKAP-NXEZZACHSA-N -1 0 318.337 -0.070 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC001604882711 1018474841 /nfs/dbraw/zinc/47/48/41/1018474841.db2.gz VKJFSLYFVOPGQP-SECBINFHSA-N -1 0 300.311 -0.621 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001604877059 1018475948 /nfs/dbraw/zinc/47/59/48/1018475948.db2.gz OXXKIORKWIWTFE-SNVBAGLBSA-N -1 0 306.384 -0.115 20 0 DBADRM CC[C@H](C(=O)OC)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001604888755 1018478256 /nfs/dbraw/zinc/47/82/56/1018478256.db2.gz RUWRXMDQRBHFIU-CIUDSAMLSA-N -1 0 301.295 -0.482 20 0 DBADRM CC[C@H](C(=O)OC)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001604888756 1018478882 /nfs/dbraw/zinc/47/88/82/1018478882.db2.gz RUWRXMDQRBHFIU-DJLDLDEBSA-N -1 0 301.295 -0.482 20 0 DBADRM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC001604918028 1018483163 /nfs/dbraw/zinc/48/31/63/1018483163.db2.gz IAOCWMDOOKFYKE-MXWKQRLJSA-N -1 0 300.355 -0.167 20 0 DBADRM COC(=O)C1(O)CN(c2nc(-c3nnn[n-]3)c(Cl)s2)C1 ZINC001604917886 1018483227 /nfs/dbraw/zinc/48/32/27/1018483227.db2.gz DYTHWZPTPZPTOA-UHFFFAOYSA-N -1 0 316.730 -0.299 20 0 DBADRM COc1nn(C)cc1NC(=O)NCCOCCOCC(=O)[O-] ZINC001604911777 1018483251 /nfs/dbraw/zinc/48/32/51/1018483251.db2.gz GYRQOSJPUOPZLJ-UHFFFAOYSA-N -1 0 316.314 -0.332 20 0 DBADRM COc1nccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC001604906996 1018483459 /nfs/dbraw/zinc/48/34/59/1018483459.db2.gz RWAYJPDCWYTBSW-IUCAKERBSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1nccc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC001604907215 1018483889 /nfs/dbraw/zinc/48/38/89/1018483889.db2.gz VJVWSYWRPULTON-CYBMUJFWSA-N -1 0 308.294 -0.253 20 0 DBADRM CS(=O)(=O)C1CN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC001604913704 1018483933 /nfs/dbraw/zinc/48/39/33/1018483933.db2.gz DXFMHFSMCBUUBW-JTQLQIEISA-N -1 0 304.368 -0.074 20 0 DBADRM COc1nccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)n1 ZINC001604906994 1018484873 /nfs/dbraw/zinc/48/48/73/1018484873.db2.gz RWAYJPDCWYTBSW-DTWKUNHWSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1nccc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)n1 ZINC001604906880 1018485000 /nfs/dbraw/zinc/48/50/00/1018485000.db2.gz OIGHEIPNXYXPFX-MRVPVSSYSA-N -1 0 310.310 -0.103 20 0 DBADRM COC(=O)[C@H](OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)C ZINC001604909535 1018485127 /nfs/dbraw/zinc/48/51/27/1018485127.db2.gz NCMIZKXTMZAFPF-HTQZYQBOSA-N -1 0 323.313 -0.240 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)CCS(=O)(=O)N(C)C)C(=O)[O-] ZINC001604915734 1018485202 /nfs/dbraw/zinc/48/52/02/1018485202.db2.gz ZPCLIDYQNKXIMA-SECBINFHSA-N -1 0 316.401 -0.950 20 0 DBADRM COC(=O)[C@@]1(OC)CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001604918953 1018485898 /nfs/dbraw/zinc/48/58/98/1018485898.db2.gz QHVOHKXINMEBCN-GFCCVEGCSA-N -1 0 305.298 -0.575 20 0 DBADRM COC(=O)[C@]1(OC)CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001604918954 1018486170 /nfs/dbraw/zinc/48/61/70/1018486170.db2.gz QHVOHKXINMEBCN-LBPRGKRZSA-N -1 0 305.298 -0.575 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCN([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001604919846 1018487424 /nfs/dbraw/zinc/48/74/24/1018487424.db2.gz AHXUXZRADOAXRF-QWRGUYRKSA-N -1 0 318.395 -0.572 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001604927504 1018488722 /nfs/dbraw/zinc/48/87/22/1018488722.db2.gz MWUJNPBPJUEBJD-SSDOTTSWSA-N -1 0 316.339 -0.738 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001604921539 1018490108 /nfs/dbraw/zinc/49/01/08/1018490108.db2.gz RWHQHSURHQKZES-LPEHRKFASA-N -1 0 319.383 -0.570 20 0 DBADRM COC(=O)[C@H]1CCN(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001604925336 1018490137 /nfs/dbraw/zinc/49/01/37/1018490137.db2.gz KBENOANERHJQBR-VIFPVBQESA-N -1 0 304.310 -0.519 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001604927826 1018490678 /nfs/dbraw/zinc/49/06/78/1018490678.db2.gz WJYILKTYBRSSPX-SECBINFHSA-N -1 0 320.367 -0.982 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1C[C@@H]2C[C@H]1C[S@@]2=O)C(=O)[O-] ZINC001604931227 1018492627 /nfs/dbraw/zinc/49/26/27/1018492627.db2.gz HTYHRIILVAKSGT-BUDKPPBDSA-N -1 0 302.396 -0.193 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCO[C@@H]([C@@H](C)O)C1)C(=O)[O-] ZINC001604932684 1018492920 /nfs/dbraw/zinc/49/29/20/1018492920.db2.gz PBSJEADBFOYNMZ-WGBDABJCSA-N -1 0 302.371 -0.317 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1[C@@H](CO)CC[C@@H]1CO)C(=O)[O-] ZINC001604931662 1018493568 /nfs/dbraw/zinc/49/35/68/1018493568.db2.gz JZYUEZACFGGTGM-UZWSLXQKSA-N -1 0 302.371 -0.581 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC001604933637 1018493808 /nfs/dbraw/zinc/49/38/08/1018493808.db2.gz YDUIHIVLLQJGOG-AUTRQRHGSA-N -1 0 314.338 -0.377 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001604944031 1018495704 /nfs/dbraw/zinc/49/57/04/1018495704.db2.gz RLCHLKMSPLKQBB-LRTDBIEQSA-N -1 0 318.395 -0.857 20 0 DBADRM CC[C@@H](C)[C@H](O)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001604946245 1018495744 /nfs/dbraw/zinc/49/57/44/1018495744.db2.gz OFCONFOLEINECR-VXNVDRBHSA-N -1 0 312.326 -0.420 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001604943276 1018496280 /nfs/dbraw/zinc/49/62/80/1018496280.db2.gz JFLQUZLXMBOPGK-YRMIWKTRSA-N -1 0 316.379 -0.950 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001604963452 1018498612 /nfs/dbraw/zinc/49/86/12/1018498612.db2.gz ONKPYTGUNISPHK-DCXZOGHSSA-N -1 0 315.417 -0.009 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001604963684 1018498987 /nfs/dbraw/zinc/49/89/87/1018498987.db2.gz VLLFYAINNJDAGG-GHMZBOCLSA-N -1 0 308.400 -0.168 20 0 DBADRM CSc1ccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])cn1 ZINC001604964785 1018499139 /nfs/dbraw/zinc/49/91/39/1018499139.db2.gz GSFZIVHCDCORBO-LBPRGKRZSA-N -1 0 313.335 -0.306 20 0 DBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001604968525 1018499891 /nfs/dbraw/zinc/49/98/91/1018499891.db2.gz PCBDJRYEAKDGNA-UTUOFQBUSA-N -1 0 311.382 -0.234 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)CCn1nc(C)oc1=O ZINC001604963412 1018500166 /nfs/dbraw/zinc/50/01/66/1018500166.db2.gz NSJDEFOZTJXTFD-QMMMGPOBSA-N -1 0 321.355 -0.340 20 0 DBADRM CO[C@H](C)C(=O)NCC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001605000239 1018506602 /nfs/dbraw/zinc/50/66/02/1018506602.db2.gz UWQGPKCIRFAVRB-RKDXNWHRSA-N -1 0 320.357 -0.580 20 0 DBADRM CO[C@@H](C)[C@H](C)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001605005396 1018506966 /nfs/dbraw/zinc/50/69/66/1018506966.db2.gz ILYQRBIPRRRMFD-YUMQZZPRSA-N -1 0 312.355 -0.037 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC001605025913 1018509261 /nfs/dbraw/zinc/50/92/61/1018509261.db2.gz NSKCHJAZYWHYFN-FWOIEVBISA-N -1 0 303.296 -0.337 20 0 DBADRM CCC(CC)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605011812 1018507531 /nfs/dbraw/zinc/50/75/31/1018507531.db2.gz URIUMZBCMHVFRE-QWRGUYRKSA-N -1 0 312.366 -0.167 20 0 DBADRM CO[C@@](C)(CO)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001604999904 1018507633 /nfs/dbraw/zinc/50/76/33/1018507633.db2.gz LVRWWMDQKSEBRP-CYBMUJFWSA-N -1 0 307.310 -0.301 20 0 DBADRM CC[C@H](CNC(=O)Cn1cccc(C(=O)OC)c1=O)C(=O)[O-] ZINC001605033848 1018509320 /nfs/dbraw/zinc/50/93/20/1018509320.db2.gz XSKOADULCLSZDB-SECBINFHSA-N -1 0 310.306 -0.138 20 0 DBADRM CO[C@@]1(COC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CCOC1 ZINC001605020932 1018509384 /nfs/dbraw/zinc/50/93/84/1018509384.db2.gz PUNJTXFGXOOXIK-UFBFGSQYSA-N -1 0 323.313 -0.632 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001605019085 1018510829 /nfs/dbraw/zinc/51/08/29/1018510829.db2.gz XLNVRHZTCILTOD-PTRXPTGYSA-N -1 0 304.368 -0.411 20 0 DBADRM C[C@@]12CN(C(=O)[C@@H](C(=O)[O-])C3CC3)C[C@@H]1CS(=O)(=O)C2 ZINC001605034254 1018514063 /nfs/dbraw/zinc/51/40/63/1018514063.db2.gz JELNUZIUJXTFMW-NRUUGDAUSA-N -1 0 301.364 -0.010 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc2c1CCNC2=O)C(=O)[O-] ZINC001605041126 1018516036 /nfs/dbraw/zinc/51/60/36/1018516036.db2.gz RTKPFZJQBOPTOM-ZETCQYMHSA-N -1 0 305.290 -0.500 20 0 DBADRM CC[C@H](CNS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001605040664 1018517400 /nfs/dbraw/zinc/51/74/00/1018517400.db2.gz WRCPKKXJYGDJSU-PSASIEDQSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C(=O)N1CCCC1 ZINC001605048700 1018518599 /nfs/dbraw/zinc/51/85/99/1018518599.db2.gz VPRJBUDYWGYLBC-JTQLQIEISA-N -1 0 321.333 -0.326 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001605069348 1018519062 /nfs/dbraw/zinc/51/90/62/1018519062.db2.gz YLWRHHAYWGRNRQ-JGVFFNPUSA-N -1 0 300.290 -0.766 20 0 DBADRM COCC1=CCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001605068293 1018519446 /nfs/dbraw/zinc/51/94/46/1018519446.db2.gz RXAURKLUJGIPSS-VIFPVBQESA-N -1 0 318.341 -0.176 20 0 DBADRM CC[C@H](F)C(=O)N(C)C[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001605068919 1018519881 /nfs/dbraw/zinc/51/98/81/1018519881.db2.gz OJFDAXQDUDWMMZ-IUCAKERBSA-N -1 0 314.317 -0.424 20 0 DBADRM C[C@H]1COC(C)(C)CN1C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001605063656 1018520014 /nfs/dbraw/zinc/52/00/14/1018520014.db2.gz YCBVBQZUJNXTTQ-VIFPVBQESA-N -1 0 324.337 -0.068 20 0 DBADRM CC[C@@H](F)C(=O)N(C)C[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001605068920 1018521258 /nfs/dbraw/zinc/52/12/58/1018521258.db2.gz OJFDAXQDUDWMMZ-RKDXNWHRSA-N -1 0 314.317 -0.424 20 0 DBADRM CC[C@](NC(=O)CN1CCNC(=O)C1)(C(=O)[O-])c1ccccc1 ZINC001605071803 1018522163 /nfs/dbraw/zinc/52/21/63/1018522163.db2.gz HEHLHBCFGQXLAD-MRXNPFEDSA-N -1 0 319.361 -0.076 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)nnn1C ZINC001605085021 1018525497 /nfs/dbraw/zinc/52/54/97/1018525497.db2.gz SAHXQPLFLJRWRI-UHFFFAOYSA-N -1 0 309.326 -0.225 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])cccc1N(C)C ZINC001605085087 1018525902 /nfs/dbraw/zinc/52/59/02/1018525902.db2.gz VTYUTFNFTGTNBO-HNNXBMFYSA-N -1 0 323.349 -0.049 20 0 DBADRM COCCCOCCN(C)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001605092651 1018526616 /nfs/dbraw/zinc/52/66/16/1018526616.db2.gz NRZPXDZJDCBJBH-UHFFFAOYSA-N -1 0 322.369 -0.029 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N(C)CCCC(=O)[O-] ZINC001605104327 1018527801 /nfs/dbraw/zinc/52/78/01/1018527801.db2.gz XNHCNQNQGLCIPV-UHFFFAOYSA-N -1 0 309.322 -0.045 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001605091679 1018528156 /nfs/dbraw/zinc/52/81/56/1018528156.db2.gz UXOVUPHMSDYXBF-UHFFFAOYSA-N -1 0 321.297 -0.716 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001605090189 1018530088 /nfs/dbraw/zinc/53/00/88/1018530088.db2.gz UZRMPLFYNSLPMV-NXEZZACHSA-N -1 0 320.367 -0.999 20 0 DBADRM CC[C@@H](O)c1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1CCOC ZINC001605114595 1018531128 /nfs/dbraw/zinc/53/11/28/1018531128.db2.gz SGBQMMXFPZWCQU-NXEZZACHSA-N -1 0 314.342 -0.342 20 0 DBADRM CC[C@@H](O)c1nnc(N2CCO[C@H](C(=O)[O-])C2)n1CCOC ZINC001605114598 1018531198 /nfs/dbraw/zinc/53/11/98/1018531198.db2.gz SGBQMMXFPZWCQU-ZJUUUORDSA-N -1 0 314.342 -0.342 20 0 DBADRM CC[C@H](OC)C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1O ZINC001605123158 1018533215 /nfs/dbraw/zinc/53/32/15/1018533215.db2.gz UGTYXORRGCLNSW-MXWKQRLJSA-N -1 0 324.337 -0.735 20 0 DBADRM CC[C@]1(CO)CCCN1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001605143684 1018535727 /nfs/dbraw/zinc/53/57/27/1018535727.db2.gz FESHHIOWOGIHSY-CQSZACIVSA-N -1 0 315.370 -0.086 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001605144107 1018537035 /nfs/dbraw/zinc/53/70/35/1018537035.db2.gz OVDUIYMVLXDZMB-UHFFFAOYSA-N -1 0 312.236 -0.448 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC001605144126 1018538124 /nfs/dbraw/zinc/53/81/24/1018538124.db2.gz PWFUXPQQMCOMLS-QMMMGPOBSA-N -1 0 319.325 -0.096 20 0 DBADRM CN(CCN(C)C(=O)C1CC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001500979370 1018539052 /nfs/dbraw/zinc/53/90/52/1018539052.db2.gz CWSFHVUVMLTBFQ-UHFFFAOYSA-N -1 0 308.338 -0.574 20 0 DBADRM CC[C@@]1(O)CCCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001605148547 1018540340 /nfs/dbraw/zinc/54/03/40/1018540340.db2.gz LLJNRUHEZHQBAU-CQSZACIVSA-N -1 0 315.370 -0.086 20 0 DBADRM COc1c(-c2nnn[n-]2)ccc(=O)n1CCCS(C)(=O)=O ZINC001605154181 1018540760 /nfs/dbraw/zinc/54/07/60/1018540760.db2.gz UQFWWBLOCNUMJB-UHFFFAOYSA-N -1 0 313.339 -0.528 20 0 DBADRM CCC1(CO)CCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001605144604 1018540845 /nfs/dbraw/zinc/54/08/45/1018540845.db2.gz BMDCEWGEBSSPOY-VIFPVBQESA-N -1 0 304.318 -0.464 20 0 DBADRM CC/C=C/[C@H](OC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-] ZINC001605187519 1018542068 /nfs/dbraw/zinc/54/20/68/1018542068.db2.gz WTMVWSYJBKNPKL-PORFMDCZSA-N -1 0 310.310 -0.058 20 0 DBADRM CCCC(=O)N1CCC[C@@H]1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001605188379 1018542638 /nfs/dbraw/zinc/54/26/38/1018542638.db2.gz ORNIHJAYGSLRBD-LLVKDONJSA-N -1 0 323.353 -0.116 20 0 DBADRM CC[C@@H]1CN(CN2C[C@@H](C(=O)[O-])CC2=O)C[C@@H](C)S1(=O)=O ZINC001605179298 1018543965 /nfs/dbraw/zinc/54/39/65/1018543965.db2.gz PPUBBSFTPRFTFF-OUAUKWLOSA-N -1 0 318.395 -0.226 20 0 DBADRM CCC[C@H](C)C(=O)NCCNC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001605206800 1018544798 /nfs/dbraw/zinc/54/47/98/1018544798.db2.gz XSDPMRGGHJKHGP-VIFPVBQESA-N -1 0 301.343 -0.620 20 0 DBADRM CCCC(=O)NCC1(O)CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001605190385 1018545055 /nfs/dbraw/zinc/54/50/55/1018545055.db2.gz KBIOQGZUPVSWEN-WDEREUQCSA-N -1 0 312.366 -0.023 20 0 DBADRM CCC[C@](C)(NS(=O)(=O)C[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC001605199476 1018545342 /nfs/dbraw/zinc/54/53/42/1018545342.db2.gz ROMCKHIRUBCNRB-JQWIXIFHSA-N -1 0 308.400 -0.120 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c(N(C)C)nn1 ZINC001605192188 1018545969 /nfs/dbraw/zinc/54/59/69/1018545969.db2.gz JHUAHZLDFGKEGD-ZETCQYMHSA-N -1 0 309.326 -0.374 20 0 DBADRM CCCS(=O)(=O)CCN1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001605345858 1018556927 /nfs/dbraw/zinc/55/69/27/1018556927.db2.gz WYOCJIBARPHLNC-JTQLQIEISA-N -1 0 306.384 -0.524 20 0 DBADRM CCC[C@H](C(=O)N1CCSC[C@@H](C(=O)[O-])C1)S(N)(=O)=O ZINC001605192103 1018547851 /nfs/dbraw/zinc/54/78/51/1018547851.db2.gz IYCCHJKWRMURSP-DTWKUNHWSA-N -1 0 324.424 -0.280 20 0 DBADRM CCC[C@@H](O)[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])nn1C ZINC001605218247 1018549503 /nfs/dbraw/zinc/54/95/03/1018549503.db2.gz VUCOAUOLBSMQDB-DTWKUNHWSA-N -1 0 300.315 -0.238 20 0 DBADRM CCCC[C@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001605247579 1018550002 /nfs/dbraw/zinc/55/00/02/1018550002.db2.gz KXBNAKBYVLREOD-VIFPVBQESA-N -1 0 319.339 -0.283 20 0 DBADRM CCCC[C@@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001605242274 1018550530 /nfs/dbraw/zinc/55/05/30/1018550530.db2.gz YGPWGHUYYVUUJE-GHMZBOCLSA-N -1 0 320.411 -0.135 20 0 DBADRM CCCCN(CCO)C(=O)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC001605276992 1018553107 /nfs/dbraw/zinc/55/31/07/1018553107.db2.gz AFCMYNSKXBPQJY-FIXISWKDSA-N -1 0 312.366 -0.023 20 0 DBADRM CCCCNC(=O)CCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001605281445 1018553279 /nfs/dbraw/zinc/55/32/79/1018553279.db2.gz XCBCNXLYZDPHIT-SNVBAGLBSA-N -1 0 306.384 -0.524 20 0 DBADRM CCCN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001605305304 1018555015 /nfs/dbraw/zinc/55/50/15/1018555015.db2.gz LHJCKJQEHHWOHY-IUCAKERBSA-N -1 0 308.356 -0.621 20 0 DBADRM CCCN1C[C@@H](CNS(=O)(=O)C[C@@H](C)C(=O)[O-])CC1=O ZINC001605321042 1018557106 /nfs/dbraw/zinc/55/71/06/1018557106.db2.gz ANLSJOLZNKWIAW-NXEZZACHSA-N -1 0 306.384 -0.115 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)nn1 ZINC001605306441 1018557442 /nfs/dbraw/zinc/55/74/42/1018557442.db2.gz NVERUGUIKXWSLL-SNVBAGLBSA-N -1 0 311.323 -0.377 20 0 DBADRM CCCS(=O)(=O)CCN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001605345859 1018558163 /nfs/dbraw/zinc/55/81/63/1018558163.db2.gz WYOCJIBARPHLNC-SNVBAGLBSA-N -1 0 306.384 -0.524 20 0 DBADRM CCCNS(=O)(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001605334266 1018558423 /nfs/dbraw/zinc/55/84/23/1018558423.db2.gz USDDGRRWOVSOFD-QMMMGPOBSA-N -1 0 303.344 -0.533 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605353814 1018560731 /nfs/dbraw/zinc/56/07/31/1018560731.db2.gz GBHIEXAPTIVQLP-IWSPIJDZSA-N -1 0 315.326 -0.844 20 0 DBADRM CCC[C@@H](NC(=O)C1=CN(C)S(=O)(=O)N=C1C)C(=O)[O-] ZINC001605350467 1018564208 /nfs/dbraw/zinc/56/42/08/1018564208.db2.gz XTLZYHOFSTWDJL-SECBINFHSA-N -1 0 303.340 -0.109 20 0 DBADRM CCCc1csc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])n1 ZINC001605378337 1018566830 /nfs/dbraw/zinc/56/68/30/1018566830.db2.gz ZCGKZIZMHXBHEH-MRVPVSSYSA-N -1 0 315.351 -0.014 20 0 DBADRM Cc1cn(C)nc1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001605367018 1018567690 /nfs/dbraw/zinc/56/76/90/1018567690.db2.gz KTDPBWVFTSJGSM-UHFFFAOYSA-N -1 0 324.337 -0.335 20 0 DBADRM Cc1ccncc1[C@@H](C)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001605365972 1018567810 /nfs/dbraw/zinc/56/78/10/1018567810.db2.gz SXBRCRJUVOHQIN-PWSUYJOCSA-N -1 0 321.333 -0.121 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC001605359655 1018568348 /nfs/dbraw/zinc/56/83/48/1018568348.db2.gz FDRJDKKXEUNAQQ-VIFPVBQESA-N -1 0 307.306 -0.292 20 0 DBADRM Cc1ccncc1[C@H](C)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001605365968 1018568903 /nfs/dbraw/zinc/56/89/03/1018568903.db2.gz SXBRCRJUVOHQIN-CMPLNLGQSA-N -1 0 321.333 -0.121 20 0 DBADRM CS(=O)(=O)c1ccc(Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC001605357582 1018569686 /nfs/dbraw/zinc/56/96/86/1018569686.db2.gz KFJTXOIKTPEYNT-UHFFFAOYSA-N -1 0 305.323 -0.090 20 0 DBADRM CCC[C@H](O)C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001605361034 1018569816 /nfs/dbraw/zinc/56/98/16/1018569816.db2.gz OZBGZOLADHUAOD-VIFPVBQESA-N -1 0 307.368 -0.314 20 0 DBADRM CCCn1cc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c(C)n1 ZINC001605384846 1018570407 /nfs/dbraw/zinc/57/04/07/1018570407.db2.gz FTRYEJVEOJITIS-NSHDSACASA-N -1 0 308.338 -0.031 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C(N)=O)cc1-c1nnn[n-]1 ZINC001605381390 1018570918 /nfs/dbraw/zinc/57/09/18/1018570918.db2.gz WICRRMBDZZDKAX-BYPYZUCNSA-N -1 0 323.338 -0.707 20 0 DBADRM CCN(C(=O)Cc1ccc(C(=O)[O-])nc1)[C@@H]1CC(=O)NC1=O ZINC001605396502 1018571533 /nfs/dbraw/zinc/57/15/33/1018571533.db2.gz UJOMBSLVANHFOP-SNVBAGLBSA-N -1 0 305.290 -0.414 20 0 DBADRM Cc1nc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001605398213 1018571914 /nfs/dbraw/zinc/57/19/14/1018571914.db2.gz FMCHHAZEMXJRII-APPZFPTMSA-N -1 0 319.325 -0.123 20 0 DBADRM Cc1nc(C)n(C2CN(CCS(=O)(=O)CC(=O)[O-])C2)n1 ZINC001605401113 1018571981 /nfs/dbraw/zinc/57/19/81/1018571981.db2.gz SEITZCKTOCHADQ-UHFFFAOYSA-N -1 0 302.356 -0.749 20 0 DBADRM CCN(C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C)[C@@H]1CCOC1 ZINC001605391930 1018572106 /nfs/dbraw/zinc/57/21/06/1018572106.db2.gz ZRORBDJTDWROGA-SNVBAGLBSA-N -1 0 324.337 -0.148 20 0 DBADRM Cc1nc(C(=O)N2CCC[C@]2(C)C(=O)[O-])nn1-c1nc[nH]n1 ZINC001605398242 1018572265 /nfs/dbraw/zinc/57/22/65/1018572265.db2.gz HFRUHHVZNXCIIG-GFCCVEGCSA-N -1 0 305.298 -0.227 20 0 DBADRM CCCc1nnc(SCC(=O)N(C)[C@H](C)C(=O)[O-])n1N ZINC001605383329 1018572502 /nfs/dbraw/zinc/57/25/02/1018572502.db2.gz HUXPDQVFBBLYGN-SSDOTTSWSA-N -1 0 301.372 -0.032 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001605394171 1018572691 /nfs/dbraw/zinc/57/26/91/1018572691.db2.gz HUUALGYIRRFTMT-SCZZXKLOSA-N -1 0 308.338 -0.096 20 0 DBADRM Cc1nc(C)c(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)[nH]1 ZINC001605403826 1018574211 /nfs/dbraw/zinc/57/42/11/1018574211.db2.gz QZZCKRMPBWNLOR-SNVBAGLBSA-N -1 0 308.338 -0.034 20 0 DBADRM C[C@H](C(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001501095174 1018574652 /nfs/dbraw/zinc/57/46/52/1018574652.db2.gz JJJYMUPKQRPPDG-QMMMGPOBSA-N -1 0 323.353 -0.141 20 0 DBADRM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)c1ncc[nH]1 ZINC001605405444 1018575427 /nfs/dbraw/zinc/57/54/27/1018575427.db2.gz WCCNBGMEORBDCR-RXMQYKEDSA-N -1 0 303.286 -0.438 20 0 DBADRM Cc1nc(C)c(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)[nH]1 ZINC001605403825 1018575529 /nfs/dbraw/zinc/57/55/29/1018575529.db2.gz QZZCKRMPBWNLOR-JTQLQIEISA-N -1 0 308.338 -0.034 20 0 DBADRM CCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC001605414920 1018575710 /nfs/dbraw/zinc/57/57/10/1018575710.db2.gz DALNDCSHKISUFL-UHFFFAOYSA-N -1 0 317.367 -0.178 20 0 DBADRM CCN(CC(=O)[O-])C(=O)/C=C(\C)C(=O)N(CC)CC(=O)OC ZINC001605414704 1018576263 /nfs/dbraw/zinc/57/62/63/1018576263.db2.gz JPQZTNQLYJYPGB-JXMROGBWSA-N -1 0 314.338 -0.113 20 0 DBADRM Cc1nccnc1N1CCN(CN2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001605423999 1018578178 /nfs/dbraw/zinc/57/81/78/1018578178.db2.gz BRWMWHHFYPLDNR-GFCCVEGCSA-N -1 0 319.365 -0.202 20 0 DBADRM CCN(CC)C(=O)CCC(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001605422388 1018580115 /nfs/dbraw/zinc/58/01/15/1018580115.db2.gz WOWFADABIMSTRQ-JTQLQIEISA-N -1 0 311.342 -0.504 20 0 DBADRM Cc1nnc(COCC(=O)N2CCOC[C@H]2C(=O)[O-])s1 ZINC001605440115 1018581274 /nfs/dbraw/zinc/58/12/74/1018581274.db2.gz AKCCRQWICICMNJ-QMMMGPOBSA-N -1 0 301.324 -0.325 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001605434333 1018581615 /nfs/dbraw/zinc/58/16/15/1018581615.db2.gz RSNFNGRYUDEAHU-BONVTDFDSA-N -1 0 321.333 -0.221 20 0 DBADRM CCN(CCC(=O)NC)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001605438736 1018583175 /nfs/dbraw/zinc/58/31/75/1018583175.db2.gz LMLFDXHCWVHCBF-UHFFFAOYSA-N -1 0 321.380 -0.012 20 0 DBADRM C[C@H](CO)N(C)S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001605436485 1018583957 /nfs/dbraw/zinc/58/39/57/1018583957.db2.gz BENFVRUYAMZDLY-ZCFIWIBFSA-N -1 0 303.369 -0.071 20 0 DBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c1C ZINC001605444265 1018584861 /nfs/dbraw/zinc/58/48/61/1018584861.db2.gz CMZZCWZPXOKENE-ZETCQYMHSA-N -1 0 324.337 -0.406 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC001605442178 1018585941 /nfs/dbraw/zinc/58/59/41/1018585941.db2.gz RCKFQCMSNDGILE-UHFFFAOYSA-N -1 0 324.341 -0.773 20 0 DBADRM CCN(CCOCCO)C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001605449714 1018588304 /nfs/dbraw/zinc/58/83/04/1018588304.db2.gz LDXCGUAHYIJKCE-UHFFFAOYSA-N -1 0 300.315 -0.019 20 0 DBADRM C[C@@]12COC[C@]1(C)CN(C(=O)Cn1cnc(-c3nnn[n-]3)n1)C2 ZINC001605450652 1018590933 /nfs/dbraw/zinc/59/09/33/1018590933.db2.gz GIAZZMFJAXDYBK-BETUJISGSA-N -1 0 318.341 -0.657 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001605454735 1018591101 /nfs/dbraw/zinc/59/11/01/1018591101.db2.gz KBSSPIIGDAIURL-LLVKDONJSA-N -1 0 318.307 -0.791 20 0 DBADRM CCN(CCSC)C(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001605453610 1018591206 /nfs/dbraw/zinc/59/12/06/1018591206.db2.gz WCCSGFZBUGXFTH-CYBMUJFWSA-N -1 0 318.395 -0.100 20 0 DBADRM Cc1oc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1S(C)(=O)=O ZINC001605454859 1018591367 /nfs/dbraw/zinc/59/13/67/1018591367.db2.gz OAZQBDIBFOVDPA-VIFPVBQESA-N -1 0 317.319 -0.083 20 0 DBADRM Cn1c(=O)n2c(c1C(=O)N1CCO[C@@H](C(=O)[O-])C1)CCCC2 ZINC001605467484 1018592435 /nfs/dbraw/zinc/59/24/35/1018592435.db2.gz DEWCVZWFZOLUKP-SNVBAGLBSA-N -1 0 309.322 -0.551 20 0 DBADRM Cn1c2sc(C(=O)NCCC(=O)[O-])cc2c(=O)n(C)c1=O ZINC001605467349 1018593956 /nfs/dbraw/zinc/59/39/56/1018593956.db2.gz JGBXJMFCTZFTCR-UHFFFAOYSA-N -1 0 311.319 -0.497 20 0 DBADRM Cn1c(-c2ncc[nH]2)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001605467274 1018594089 /nfs/dbraw/zinc/59/40/89/1018594089.db2.gz WURBUJUVHGYJCX-AMIZOPFISA-N -1 0 304.310 -0.257 20 0 DBADRM Cn1c(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c[nH]c1=O ZINC001605468112 1018594278 /nfs/dbraw/zinc/59/42/78/1018594278.db2.gz XTEVCTPASLDVSF-QMMMGPOBSA-N -1 0 310.310 -0.679 20 0 DBADRM CCN1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC001605480418 1018596064 /nfs/dbraw/zinc/59/60/64/1018596064.db2.gz VRFMMLDLOOFZME-UWVGGRQHSA-N -1 0 300.359 -0.689 20 0 DBADRM CCN1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC001605476307 1018596446 /nfs/dbraw/zinc/59/64/46/1018596446.db2.gz YUFPUPGMMIRMNY-UEKVPHQBSA-N -1 0 311.382 -0.234 20 0 DBADRM CCN1CC[C@H]1CNC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001605476217 1018596797 /nfs/dbraw/zinc/59/67/97/1018596797.db2.gz WUEAYOPYOVRHPL-RYUDHWBXSA-N -1 0 323.393 -0.090 20 0 DBADRM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)COCC(=O)[O-])C1 ZINC001605473319 1018597503 /nfs/dbraw/zinc/59/75/03/1018597503.db2.gz MQNSVMHSTLUIGC-MRVPVSSYSA-N -1 0 314.367 -0.089 20 0 DBADRM CCN1CCN(CC(=O)N(C)C(C)(C)CC(=O)[O-])C(=O)C1=O ZINC001605479726 1018597528 /nfs/dbraw/zinc/59/75/28/1018597528.db2.gz GPVGXQURALCCTK-UHFFFAOYSA-N -1 0 313.354 -0.611 20 0 DBADRM CCN1CCN(C(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)CC1 ZINC001605479443 1018597855 /nfs/dbraw/zinc/59/78/55/1018597855.db2.gz ALALCSOZBOFXLU-UHFFFAOYSA-N -1 0 323.353 -0.621 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1=O ZINC001605471849 1018598997 /nfs/dbraw/zinc/59/89/97/1018598997.db2.gz ZBDZKCUNEDJRFR-BREBYQMCSA-N -1 0 316.379 -0.124 20 0 DBADRM Cn1cc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)nn1 ZINC001605481162 1018599143 /nfs/dbraw/zinc/59/91/43/1018599143.db2.gz OHHDVNOGINANIS-SECBINFHSA-N -1 0 321.337 -0.647 20 0 DBADRM Cn1cc([C@H]2CCCN([C@@H]3CCN(CC(=O)[O-])C3=O)C2)nn1 ZINC001605488150 1018599533 /nfs/dbraw/zinc/59/95/33/1018599533.db2.gz DQZUETWTKGMISQ-CMPLNLGQSA-N -1 0 307.354 -0.320 20 0 DBADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001605488049 1018600340 /nfs/dbraw/zinc/60/03/40/1018600340.db2.gz CHENLDOSSXLFEH-DTWKUNHWSA-N -1 0 306.326 -0.066 20 0 DBADRM Cn1cc([C@@]2(CNC(=O)[C@@H]3CC(C(=O)[O-])=NO3)CCCO2)cn1 ZINC001605483643 1018601053 /nfs/dbraw/zinc/60/10/53/1018601053.db2.gz LJNAJEWLELJWSW-FZMZJTMJSA-N -1 0 322.321 -0.229 20 0 DBADRM CCN1OC[C@H](N2CCC(n3cc(C(=O)[O-])nn3)CC2)C1=O ZINC001605485605 1018601101 /nfs/dbraw/zinc/60/11/01/1018601101.db2.gz KSJNNLDRZOWZGZ-NSHDSACASA-N -1 0 309.326 -0.225 20 0 DBADRM CCN1OC[C@@H](N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)C1=O ZINC001605485324 1018601869 /nfs/dbraw/zinc/60/18/69/1018601869.db2.gz GJSXILGPIPEXMX-RISCZKNCSA-N -1 0 313.354 -0.990 20 0 DBADRM CCN1OC[C@@H](N2CCC(n3cc(C(=O)[O-])nn3)CC2)C1=O ZINC001605485604 1018602376 /nfs/dbraw/zinc/60/23/76/1018602376.db2.gz KSJNNLDRZOWZGZ-LLVKDONJSA-N -1 0 309.326 -0.225 20 0 DBADRM CCOC(=O)COCCNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001605541781 1018617761 /nfs/dbraw/zinc/61/77/61/1018617761.db2.gz FCXXCBUTCRIOFK-UHFFFAOYSA-N -1 0 309.340 -0.507 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)Cc3nnc[nH]3)C2)cn1 ZINC001605490984 1018604158 /nfs/dbraw/zinc/60/41/58/1018604158.db2.gz MOWRWYYXLOZGAH-NXEZZACHSA-N -1 0 318.337 -0.202 20 0 DBADRM CCNC(=O)CC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001605489492 1018604936 /nfs/dbraw/zinc/60/49/36/1018604936.db2.gz IGLHNHRZCGWPET-JTQLQIEISA-N -1 0 321.337 -0.604 20 0 DBADRM Cn1cc(N2CCC[C@H](NC(=O)C(=O)NCCC(=O)[O-])C2)cn1 ZINC001605501472 1018606379 /nfs/dbraw/zinc/60/63/79/1018606379.db2.gz GKLFQBAIDUZCQK-JTQLQIEISA-N -1 0 323.353 -0.904 20 0 DBADRM CCOC(=O)[C@H](CC)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001605509111 1018606422 /nfs/dbraw/zinc/60/64/22/1018606422.db2.gz QSOVSYVHQHSMPT-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM Cc1c[nH]cc1C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001605504471 1018606762 /nfs/dbraw/zinc/60/67/62/1018606762.db2.gz LBRQCNHJUGQCRG-UHFFFAOYSA-N -1 0 313.325 -0.443 20 0 DBADRM CCOC(=O)[C@](C)(O)CNC(=O)CCc1ocnc1C(=O)[O-] ZINC001605508105 1018606961 /nfs/dbraw/zinc/60/69/61/1018606961.db2.gz NWCRXBHAQQOHSS-CYBMUJFWSA-N -1 0 314.294 -0.264 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)[C@@]3(C(=O)[O-])CCCO3)C2)cn1 ZINC001605502179 1018607391 /nfs/dbraw/zinc/60/73/91/1018607391.db2.gz YVPLKCUCEMRTQD-QMTHXVAHSA-N -1 0 308.338 -0.251 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N1CCOC[C@@H]1C(=O)[O-])C(C)=O ZINC001605508387 1018608151 /nfs/dbraw/zinc/60/81/51/1018608151.db2.gz MIZFURBRJITPHD-VHSXEESVSA-N -1 0 301.295 -0.543 20 0 DBADRM Cn1cc(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)c(C(N)=O)n1 ZINC001605501432 1018608321 /nfs/dbraw/zinc/60/83/21/1018608321.db2.gz CHUYGEWNLBJBTN-YUMQZZPRSA-N -1 0 310.310 -0.273 20 0 DBADRM Cn1cnc(CNC(=O)NCCOCCOCC(=O)[O-])c1 ZINC001605519744 1018610080 /nfs/dbraw/zinc/61/00/80/1018610080.db2.gz OIKFNZLKOCKLFV-UHFFFAOYSA-N -1 0 300.315 -0.663 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N1CC[C@](OC)(C(=O)[O-])C1)C(C)=O ZINC001605509803 1018610241 /nfs/dbraw/zinc/61/02/41/1018610241.db2.gz VDSNWBVCGFFWHA-IINYFYTJSA-N -1 0 315.322 -0.153 20 0 DBADRM Cn1cnc(CCCNC(=O)Nc2ccn(CC(=O)[O-])n2)n1 ZINC001605519775 1018610708 /nfs/dbraw/zinc/61/07/08/1018610708.db2.gz QJHMGVUGRAOJCM-UHFFFAOYSA-N -1 0 307.314 -0.150 20 0 DBADRM Cn1ccnc1C1(O)CN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001605511659 1018610832 /nfs/dbraw/zinc/61/08/32/1018610832.db2.gz FFDZVZPKLLYRAM-UHFFFAOYSA-N -1 0 309.322 -0.669 20 0 DBADRM CCOC(=O)[C@H](CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C(C)=O ZINC001605510067 1018610894 /nfs/dbraw/zinc/61/08/94/1018610894.db2.gz WORDKQVSCWMONN-CKYFFXLPSA-N -1 0 315.322 -0.249 20 0 DBADRM Cn1ccn2c(CNC(=O)C3(C(=O)[O-])CCC3)nnc2c1=O ZINC001605511737 1018611266 /nfs/dbraw/zinc/61/12/66/1018611266.db2.gz RLLRDQNQIORNHF-UHFFFAOYSA-N -1 0 305.294 -0.701 20 0 DBADRM CCOC(=O)C1(O)CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC001605521579 1018612999 /nfs/dbraw/zinc/61/29/99/1018612999.db2.gz ZACUXSOXZPINFD-SECBINFHSA-N -1 0 323.367 -0.573 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cn(CCOC)nn1 ZINC001605621642 1018635458 /nfs/dbraw/zinc/63/54/58/1018635458.db2.gz JMTNECNIXZXHMV-JTQLQIEISA-N -1 0 300.315 -0.514 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001605528268 1018614322 /nfs/dbraw/zinc/61/43/22/1018614322.db2.gz BCBTYVDBZLYZME-UHFFFAOYSA-N -1 0 323.353 -0.655 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCc2cnc(N)nc2C1 ZINC001605533527 1018614530 /nfs/dbraw/zinc/61/45/30/1018614530.db2.gz FEHJNUWRSWBGFS-UHFFFAOYSA-N -1 0 302.294 -0.311 20 0 DBADRM CCOC(=O)[C@H]1CCCN(CC(=O)N[C@](C)(CO)C(=O)[O-])C1 ZINC001605525650 1018615045 /nfs/dbraw/zinc/61/50/45/1018615045.db2.gz DFHGUGMAURETLF-IINYFYTJSA-N -1 0 316.354 -0.787 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CCC(C(=O)NCCCO)CC1 ZINC001605539010 1018616068 /nfs/dbraw/zinc/61/60/68/1018616068.db2.gz PVWHZUFTFQNLGB-UHFFFAOYSA-N -1 0 324.381 -0.171 20 0 DBADRM CCOC(=O)COCCN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001605541790 1018616850 /nfs/dbraw/zinc/61/68/50/1018616850.db2.gz FGVRKDAHWPZFQK-JTQLQIEISA-N -1 0 323.367 -0.860 20 0 DBADRM CCOC(=O)CN(C)C(=O)COCc1ocnc1C(=O)[O-] ZINC001605538815 1018617802 /nfs/dbraw/zinc/61/78/02/1018617802.db2.gz DPZAXYYGMSXINB-UHFFFAOYSA-N -1 0 300.267 -0.089 20 0 DBADRM CCOC(=O)C[C@H]1C[C@@H](OC)CN1CC(=O)NCC(=O)[O-] ZINC001605535524 1018618032 /nfs/dbraw/zinc/61/80/32/1018618032.db2.gz RKDBKKSAVIATLG-NXEZZACHSA-N -1 0 302.327 -0.770 20 0 DBADRM CCOC(=O)NCCCC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001605550767 1018619064 /nfs/dbraw/zinc/61/90/64/1018619064.db2.gz BWHMDURODBEAQY-VIFPVBQESA-N -1 0 315.326 -0.734 20 0 DBADRM Cc1cc(-c2nn[nH]n2)cnc1C(=O)[N-]S(=O)(=O)C(F)F ZINC001605552344 1018619366 /nfs/dbraw/zinc/61/93/66/1018619366.db2.gz METCHZYYUUCHIQ-UHFFFAOYSA-N -1 0 318.265 -0.148 20 0 DBADRM CCOC(=O)NCCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001605551175 1018619513 /nfs/dbraw/zinc/61/95/13/1018619513.db2.gz JPVYEAGZNXMDFK-VIFPVBQESA-N -1 0 315.326 -0.686 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001605550598 1018621038 /nfs/dbraw/zinc/62/10/38/1018621038.db2.gz RVBAQOQBXKTFDH-CYBMUJFWSA-N -1 0 322.365 -0.059 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)c1nc2ncccn2n1)C(=O)[O-] ZINC001605568491 1018624422 /nfs/dbraw/zinc/62/44/22/1018624422.db2.gz SACLCSSENUWCGK-MRVPVSSYSA-N -1 0 301.266 -0.587 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)[O-] ZINC001605563526 1018624632 /nfs/dbraw/zinc/62/46/32/1018624632.db2.gz OQDUCWUCRDOJIW-GAIPPQHRSA-N -1 0 309.322 -0.287 20 0 DBADRM Cn1ncc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c1C(F)F ZINC001605559209 1018624995 /nfs/dbraw/zinc/62/49/95/1018624995.db2.gz GTRLOVIWEZWOJT-NSHDSACASA-N -1 0 320.252 -0.752 20 0 DBADRM Cn1ncc(NC(=O)c2cccn(CC(=O)[O-])c2=O)cc1=O ZINC001605561367 1018625375 /nfs/dbraw/zinc/62/53/75/1018625375.db2.gz GHDNZBNTEVFJGF-UHFFFAOYSA-N -1 0 304.262 -0.721 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)C[C@H]1CCCS1(=O)=O)C(=O)[O-] ZINC001605563932 1018625530 /nfs/dbraw/zinc/62/55/30/1018625530.db2.gz QRZCHVFFJWCVDT-LDYMZIIASA-N -1 0 315.351 -0.371 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)c1cnc2n1CCOC2)C(=O)[O-] ZINC001605568483 1018625720 /nfs/dbraw/zinc/62/57/20/1018625720.db2.gz RTUUXSPGGFGJRF-LLVKDONJSA-N -1 0 305.294 -0.298 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC001605571688 1018628706 /nfs/dbraw/zinc/62/87/06/1018628706.db2.gz YNTQTXLAZLOIQG-UHFFFAOYSA-N -1 0 323.353 -0.329 20 0 DBADRM Cn1nccc1[C@@H](NCc1nnnn1CC(F)(F)F)C(=O)[O-] ZINC001605570488 1018629142 /nfs/dbraw/zinc/62/91/42/1018629142.db2.gz YICKBIMVPKGFQU-MRVPVSSYSA-N -1 0 319.247 -0.116 20 0 DBADRM Cn1ncnc1C1(O)CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001605571588 1018629742 /nfs/dbraw/zinc/62/97/42/1018629742.db2.gz WPWGFHWBVJHSIO-JTQLQIEISA-N -1 0 308.338 -0.264 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N[C@H]2CCCN(C(N)=O)C2)n1 ZINC001605572744 1018629758 /nfs/dbraw/zinc/62/97/58/1018629758.db2.gz MBWKALCOMQQKQR-QMMMGPOBSA-N -1 0 303.330 -0.080 20 0 DBADRM CCO[C@@H]1C[C@@](NCC(=O)NC(=O)NC)(C(=O)[O-])C1(C)C ZINC001605608419 1018631179 /nfs/dbraw/zinc/63/11/79/1018631179.db2.gz PUBPLZJCCKRLAV-AMIZOPFISA-N -1 0 301.343 -0.310 20 0 DBADRM CCO[C@H](CC)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001605591180 1018632496 /nfs/dbraw/zinc/63/24/96/1018632496.db2.gz ZEOFCTANFHRYKR-VHSXEESVSA-N -1 0 307.368 -0.098 20 0 DBADRM CCO[C@@H]1C[C@@](NC(=O)CS(C)(=O)=O)(C(=O)[O-])C1(C)C ZINC001605603849 1018633417 /nfs/dbraw/zinc/63/34/17/1018633417.db2.gz HPHMSPQYPHANTF-PRHODGIISA-N -1 0 307.368 -0.194 20 0 DBADRM CCOCCC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001605626028 1018634739 /nfs/dbraw/zinc/63/47/39/1018634739.db2.gz LCVXGYWRXCFCKE-ZJUUUORDSA-N -1 0 324.337 -0.733 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001605625019 1018634914 /nfs/dbraw/zinc/63/49/14/1018634914.db2.gz RFFVDIHMVUZHAJ-VHSXEESVSA-N -1 0 322.383 -0.736 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)CC1(N(C)C)CC1 ZINC001605625841 1018634946 /nfs/dbraw/zinc/63/49/46/1018634946.db2.gz WXILXUSKFNQGEB-SNVBAGLBSA-N -1 0 308.400 -0.168 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CN(C)S(=O)(=O)CC ZINC001605620432 1018636189 /nfs/dbraw/zinc/63/61/89/1018636189.db2.gz IEIAKVYXQZRECZ-VIFPVBQESA-N -1 0 310.372 -0.784 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001605618458 1018635953 /nfs/dbraw/zinc/63/59/53/1018635953.db2.gz KZRXDGALLCDODH-IUCAKERBSA-N -1 0 312.326 -0.506 20 0 DBADRM NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605626335 1018638196 /nfs/dbraw/zinc/63/81/96/1018638196.db2.gz DFYXSMQIEPEIKC-BBBLOLIVSA-N -1 0 311.338 -0.920 20 0 DBADRM NC(=O)[C@@H](F)C1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001605626693 1018638294 /nfs/dbraw/zinc/63/82/94/1018638294.db2.gz JLFXKSFDYKWJNW-BDAKNGLRSA-N -1 0 301.274 -0.722 20 0 DBADRM NC(=O)CC1(CNC(=O)c2cn(CC(=O)[O-])nn2)CCCCC1 ZINC001605627419 1018639082 /nfs/dbraw/zinc/63/90/82/1018639082.db2.gz BMHJLSDUIREDCG-UHFFFAOYSA-N -1 0 323.353 -0.082 20 0 DBADRM NC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001605627849 1018639102 /nfs/dbraw/zinc/63/91/02/1018639102.db2.gz QLZQAXBUHVGDKH-UWVGGRQHSA-N -1 0 311.338 -0.824 20 0 DBADRM CCOCCn1cc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cn1 ZINC001605640484 1018639888 /nfs/dbraw/zinc/63/98/88/1018639888.db2.gz HVKAPXFWACNOOM-LLVKDONJSA-N -1 0 324.337 -0.713 20 0 DBADRM NS(=O)(=O)CCOCCNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001605642644 1018640718 /nfs/dbraw/zinc/64/07/18/1018640718.db2.gz CXQRJJOOIXHMGT-UHFFFAOYSA-N -1 0 316.335 -0.580 20 0 DBADRM NC(=O)c1cn(C2CN(C(=O)[C@@]3(C(=O)[O-])CC=CCC3)C2)nn1 ZINC001605642523 1018640906 /nfs/dbraw/zinc/64/09/06/1018640906.db2.gz HGWWACVYXSAOFI-CQSZACIVSA-N -1 0 319.321 -0.429 20 0 DBADRM NC(=O)Cn1ccc(NC(=O)C2(CC(=O)[O-])CCOCC2)n1 ZINC001605634380 1018640959 /nfs/dbraw/zinc/64/09/59/1018640959.db2.gz MDFFCRPKUHVQGB-UHFFFAOYSA-N -1 0 310.310 -0.422 20 0 DBADRM NC1=CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)N1 ZINC001605643079 1018642293 /nfs/dbraw/zinc/64/22/93/1018642293.db2.gz KUICLBYKLYQRMH-LLVKDONJSA-N -1 0 301.306 -0.147 20 0 DBADRM NS(=O)(=O)C1(C(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC001605643434 1018642344 /nfs/dbraw/zinc/64/23/44/1018642344.db2.gz UITOQULWFYUZJB-UHFFFAOYSA-N -1 0 304.368 -0.089 20 0 DBADRM NC(=O)c1nccnc1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001605643269 1018642502 /nfs/dbraw/zinc/64/25/02/1018642502.db2.gz YUBNFMDINYNJMT-UHFFFAOYSA-N -1 0 308.294 -0.813 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001605643096 1018643399 /nfs/dbraw/zinc/64/33/99/1018643399.db2.gz LJRORCDNIPVXEU-UHFFFAOYSA-N -1 0 304.368 -0.232 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001605643149 1018643903 /nfs/dbraw/zinc/64/39/03/1018643903.db2.gz MYYHCDRIPWZRKM-ZJUUUORDSA-N -1 0 319.383 -0.729 20 0 DBADRM CCON(C)C(=O)CNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001605646731 1018644125 /nfs/dbraw/zinc/64/41/25/1018644125.db2.gz DDZMEMWUAZUVSU-UHFFFAOYSA-N -1 0 308.356 -0.429 20 0 DBADRM Nc1nccc([C@H]2CCCN([C@H]3CCN(CC(=O)[O-])C3=O)C2)n1 ZINC001605655043 1018645232 /nfs/dbraw/zinc/64/52/32/1018645232.db2.gz BUOTWEIKWWVKTF-JQWIXIFHSA-N -1 0 319.365 -0.076 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1CCCCS1(=O)=O)C2 ZINC001605660285 1018646521 /nfs/dbraw/zinc/64/65/21/1018646521.db2.gz LSOCLFDSENJLDL-KWBADKCTSA-N -1 0 317.363 -0.487 20 0 DBADRM Cc1cc(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n(C)n1 ZINC001605656402 1018646736 /nfs/dbraw/zinc/64/67/36/1018646736.db2.gz IQZZVEVARAMPKR-MRVPVSSYSA-N -1 0 316.329 -0.622 20 0 DBADRM Nc1ccnn1CC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001605655094 1018646836 /nfs/dbraw/zinc/64/68/36/1018646836.db2.gz DETJXBCUDYLZBK-XIRUVYRFSA-N -1 0 308.338 -0.006 20 0 DBADRM Nc1nccc([C@@H]2CCCN([C@@H]3CCN(CC(=O)[O-])C3=O)C2)n1 ZINC001605655045 1018646913 /nfs/dbraw/zinc/64/69/13/1018646913.db2.gz BUOTWEIKWWVKTF-ZYHUDNBSSA-N -1 0 319.365 -0.076 20 0 DBADRM O=C(C[C@@H]1CCNC1=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001605670857 1018646997 /nfs/dbraw/zinc/64/69/97/1018646997.db2.gz XOYINXJAIBZFES-ZETCQYMHSA-N -1 0 308.294 -0.424 20 0 DBADRM Nc1nccc([C@H]2CCCN([C@@H]3CCN(CC(=O)[O-])C3=O)C2)n1 ZINC001605655041 1018647303 /nfs/dbraw/zinc/64/73/03/1018647303.db2.gz BUOTWEIKWWVKTF-CMPLNLGQSA-N -1 0 319.365 -0.076 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001605721228 1018649519 /nfs/dbraw/zinc/64/95/19/1018649519.db2.gz SRQFAJPSTXFLKF-QMMMGPOBSA-N -1 0 313.397 -0.264 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NC(=O)CCNC(=O)CO)c2ccccc21 ZINC001605698766 1018648906 /nfs/dbraw/zinc/64/89/06/1018648906.db2.gz KCFOPZMXNSRFPI-NEPJUHHUSA-N -1 0 306.318 -0.086 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001605718596 1018649162 /nfs/dbraw/zinc/64/91/62/1018649162.db2.gz IYHPGLAXMSLIAY-LLVKDONJSA-N -1 0 303.340 -0.723 20 0 DBADRM CCOc1nc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)co1 ZINC001605718750 1018649479 /nfs/dbraw/zinc/64/94/79/1018649479.db2.gz CVOLDHHWWOSCSZ-IUCAKERBSA-N -1 0 323.305 -0.265 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001605725908 1018651910 /nfs/dbraw/zinc/65/19/10/1018651910.db2.gz LORHXMQDDRRHNZ-OPRDCNLKSA-N -1 0 306.384 -0.117 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001605719972 1018650370 /nfs/dbraw/zinc/65/03/70/1018650370.db2.gz FZEMNSPAWCVVGR-MRVPVSSYSA-N -1 0 303.340 -0.479 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001605720866 1018650379 /nfs/dbraw/zinc/65/03/79/1018650379.db2.gz NKYCRCBNKMGTQF-BBBLOLIVSA-N -1 0 307.368 -0.100 20 0 DBADRM Cc1cc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n(C)n1 ZINC001605703695 1018650475 /nfs/dbraw/zinc/65/04/75/1018650475.db2.gz IZIIXLAPZWURAJ-SSDOTTSWSA-N -1 0 302.302 -0.300 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1 ZINC001605721564 1018651867 /nfs/dbraw/zinc/65/18/67/1018651867.db2.gz ZSQJZMMKLOGRQP-GUBZILKMSA-N -1 0 307.368 -0.242 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)NC/C=C(\C)C(=O)[O-])CC1 ZINC001605726574 1018651927 /nfs/dbraw/zinc/65/19/27/1018651927.db2.gz XAIWIDKKDAUXOC-ONNFQVAWSA-N -1 0 319.383 -0.306 20 0 DBADRM CCS(=O)(=O)NCc1cn(Cc2oncc2C(=O)[O-])nn1 ZINC001605727491 1018652833 /nfs/dbraw/zinc/65/28/33/1018652833.db2.gz ALWONHMVUZKZSB-UHFFFAOYSA-N -1 0 315.311 -0.548 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001605724919 1018653032 /nfs/dbraw/zinc/65/30/32/1018653032.db2.gz MGTHOUGSMCJEBB-UHFFFAOYSA-N -1 0 302.312 -0.605 20 0 DBADRM CCSCCCNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001605738608 1018654437 /nfs/dbraw/zinc/65/44/37/1018654437.db2.gz AVJIHTIBIHMJBB-NXEZZACHSA-N -1 0 318.395 -0.460 20 0 DBADRM CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001605726842 1018653296 /nfs/dbraw/zinc/65/32/96/1018653296.db2.gz MYSAFIKFORZUBU-JTQLQIEISA-N -1 0 316.383 -0.068 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)CCOC1 ZINC001605736124 1018654265 /nfs/dbraw/zinc/65/42/65/1018654265.db2.gz FGXFXFYVYFLTQO-TVQRCGJNSA-N -1 0 310.310 -0.712 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC001605737115 1018654685 /nfs/dbraw/zinc/65/46/85/1018654685.db2.gz SZYSGOLPKJSICM-GOGRFCQKSA-N -1 0 318.395 -0.560 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@H](CO)[C@@H](O)c2cccnc2)cn1 ZINC001605729141 1018654813 /nfs/dbraw/zinc/65/48/13/1018654813.db2.gz IELZPVRUJZELLN-OLZOCXBDSA-N -1 0 317.301 -0.001 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001605727958 1018655669 /nfs/dbraw/zinc/65/56/69/1018655669.db2.gz SJBYLJFDDANNPU-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM O=C([O-])C1(NC(=O)[C@@H]2CCCS(=O)(=O)C2)CCOCC1 ZINC001605741190 1018656648 /nfs/dbraw/zinc/65/66/48/1018656648.db2.gz GVRADOAXNJMJGM-SECBINFHSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC001605752606 1018658127 /nfs/dbraw/zinc/65/81/27/1018658127.db2.gz KAVDUWKNDIVZTL-GHMZBOCLSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 ZINC001605752581 1018658648 /nfs/dbraw/zinc/65/86/48/1018658648.db2.gz ISSITCGVYKHBAO-SCZZXKLOSA-N -1 0 306.322 -0.684 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@]2(OCCO)CCOC2)C1 ZINC001605765367 1018659031 /nfs/dbraw/zinc/65/90/31/1018659031.db2.gz XSUAECQWJRZQGN-MISXGVKJSA-N -1 0 301.339 -0.229 20 0 DBADRM Cc1cc2c(NCCn3cnc(-c4nnn[n-]4)n3)nccn2n1 ZINC001605756291 1018659596 /nfs/dbraw/zinc/65/95/96/1018659596.db2.gz QCJFIARZEQPMRI-UHFFFAOYSA-N -1 0 311.313 -0.079 20 0 DBADRM Cc1cc(S(=O)(=O)[N-]N2CCCC2=O)ccc1-c1nn[nH]n1 ZINC001605751934 1018659730 /nfs/dbraw/zinc/65/97/30/1018659730.db2.gz RQRZPJCFDQJHPA-UHFFFAOYSA-N -1 0 322.350 -0.009 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCCCc1nnc[nH]1 ZINC001605780513 1018661198 /nfs/dbraw/zinc/66/11/98/1018661198.db2.gz KRQIFQFYRGBCEM-UHFFFAOYSA-N -1 0 318.293 -0.415 20 0 DBADRM CCc1cc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001605785311 1018661379 /nfs/dbraw/zinc/66/13/79/1018661379.db2.gz SWWDMPMNAFFTCJ-QWRGUYRKSA-N -1 0 320.349 -0.024 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)NCCCn2ccnn2)CC1 ZINC001605780848 1018662841 /nfs/dbraw/zinc/66/28/41/1018662841.db2.gz ZESPOFUWWUTNHN-UHFFFAOYSA-N -1 0 323.353 -0.456 20 0 DBADRM CCc1c(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])cnn1CC ZINC001605778780 1018663529 /nfs/dbraw/zinc/66/35/29/1018663529.db2.gz XBPPGBKOLURGBY-SNVBAGLBSA-N -1 0 306.326 -0.060 20 0 DBADRM CCc1nnc(CN2C(=O)[C@H]3CC[C@H](C(=O)[O-])CN3C2=O)[nH]1 ZINC001605851525 1018665651 /nfs/dbraw/zinc/66/56/51/1018665651.db2.gz GWQKIDZEKONELV-JGVFFNPUSA-N -1 0 307.310 -0.006 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCSC[C@@H]1CCO ZINC001605833834 1018665868 /nfs/dbraw/zinc/66/58/68/1018665868.db2.gz VAQPKBUDSKXHKU-AEJSXWLSSA-N -1 0 316.379 -0.708 20 0 DBADRM CCc1nc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(=O)[O-])no1 ZINC001605850110 1018665930 /nfs/dbraw/zinc/66/59/30/1018665930.db2.gz BBLKZPXIXKAKAT-TURJHENQSA-N -1 0 320.349 -0.101 20 0 DBADRM CCc1nnc(CN2C(=O)[C@@H]3CC[C@H](C(=O)[O-])CN3C2=O)[nH]1 ZINC001605851527 1018666123 /nfs/dbraw/zinc/66/61/23/1018666123.db2.gz GWQKIDZEKONELV-YUMQZZPRSA-N -1 0 307.310 -0.006 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCSC[C@H]1CCO ZINC001605833835 1018666709 /nfs/dbraw/zinc/66/67/09/1018666709.db2.gz VAQPKBUDSKXHKU-KXUCPTDWSA-N -1 0 316.379 -0.708 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCc2nnc3n2CCNC3=O)cn1 ZINC001605814467 1018667003 /nfs/dbraw/zinc/66/70/03/1018667003.db2.gz BZIGRHVAQYVKQF-UHFFFAOYSA-N -1 0 316.277 -0.955 20 0 DBADRM CCc1nc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])no1 ZINC001605850107 1018667204 /nfs/dbraw/zinc/66/72/04/1018667204.db2.gz BBLKZPXIXKAKAT-DUYQIWHPSA-N -1 0 320.349 -0.101 20 0 DBADRM CCc1ccncc1NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001605836093 1018667470 /nfs/dbraw/zinc/66/74/70/1018667470.db2.gz BIWBQBSIFPWYKY-QWRGUYRKSA-N -1 0 321.333 -0.124 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)NN1CCS(=O)(=O)CC1 ZINC001605867336 1018668011 /nfs/dbraw/zinc/66/80/11/1018668011.db2.gz WOSZYNCUCPLTDW-UHFFFAOYSA-N -1 0 314.323 -0.453 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NC2COCCOC2)c1 ZINC001605870771 1018668106 /nfs/dbraw/zinc/66/81/06/1018668106.db2.gz CDLAMAJSFUTXAJ-UHFFFAOYSA-N -1 0 309.278 -0.750 20 0 DBADRM CCc1ncncc1C(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605863961 1018670172 /nfs/dbraw/zinc/67/01/72/1018670172.db2.gz UWCQZAICENKRRB-UWVGGRQHSA-N -1 0 318.333 -0.300 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001605903963 1018671316 /nfs/dbraw/zinc/67/13/16/1018671316.db2.gz PHSCNNCNRSVPLX-WDEREUQCSA-N -1 0 312.347 -0.229 20 0 DBADRM Cc1cccc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)n1 ZINC001605914164 1018671914 /nfs/dbraw/zinc/67/19/14/1018671914.db2.gz AZFKXHGCDMCPKM-UHFFFAOYSA-N -1 0 314.309 -0.018 20 0 DBADRM O=C([O-])C(=O)N1CCN(CC[S@](=O)C(F)(F)F)CC1 ZINC001605886110 1018672123 /nfs/dbraw/zinc/67/21/23/1018672123.db2.gz NVMFXCMMHBPLST-IBGZPJMESA-N -1 0 302.274 -0.516 20 0 DBADRM O=C([O-])[C@H](C1CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001605900743 1018672259 /nfs/dbraw/zinc/67/22/59/1018672259.db2.gz QCSABKREUYBOQP-NEPJUHHUSA-N -1 0 302.396 -0.346 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cc3ncccn3n2)CC1 ZINC001605886027 1018672563 /nfs/dbraw/zinc/67/25/63/1018672563.db2.gz YBNAFIASUWIPPI-UHFFFAOYSA-N -1 0 303.278 -0.902 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cnn3c2OCCC3)CC1 ZINC001605885833 1018672847 /nfs/dbraw/zinc/67/28/47/1018672847.db2.gz HVENYBTVMMZWBX-UHFFFAOYSA-N -1 0 308.294 -0.965 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2[nH]cnc2C(F)(F)F)CC1 ZINC001605886082 1018672926 /nfs/dbraw/zinc/67/29/26/1018672926.db2.gz LVPNVCXEBDCJLD-UHFFFAOYSA-N -1 0 320.227 -0.203 20 0 DBADRM CCn1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001605915015 1018673069 /nfs/dbraw/zinc/67/30/69/1018673069.db2.gz AJMKBLSKWYMJST-ZJUUUORDSA-N -1 0 321.337 -0.699 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC(O)(COCCO)CC2)CC=CC1 ZINC001605909481 1018673144 /nfs/dbraw/zinc/67/31/44/1018673144.db2.gz WOCMKSYDADWVHW-UHFFFAOYSA-N -1 0 313.350 -0.230 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CCCO1 ZINC001605917282 1018674192 /nfs/dbraw/zinc/67/41/92/1018674192.db2.gz NLLJDEHHRQZOJE-SBMIAAHKSA-N -1 0 303.336 -0.877 20 0 DBADRM CCn1cc(CC(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001605920313 1018674785 /nfs/dbraw/zinc/67/47/85/1018674785.db2.gz ISJWGXAQXNGHKN-NEPJUHHUSA-N -1 0 320.349 -0.507 20 0 DBADRM O=C([O-])C1(C(=O)N[C@H]2CC[C@@H](O)[C@@H](O)CC2)CCOCC1 ZINC001605923269 1018675014 /nfs/dbraw/zinc/67/50/14/1018675014.db2.gz YODNLQQBLPWNGJ-JGPRNRPPSA-N -1 0 301.339 -0.352 20 0 DBADRM O=C([O-])C1(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)CC1 ZINC001605916591 1018675158 /nfs/dbraw/zinc/67/51/58/1018675158.db2.gz VQIWWLMIOALCRW-BDAKNGLRSA-N -1 0 303.336 -0.734 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CCN(c3cnccn3)CC2)CCCO1 ZINC001605916236 1018675438 /nfs/dbraw/zinc/67/54/38/1018675438.db2.gz NTWKJIMBUZTOKG-AWEZNQCLSA-N -1 0 306.322 -0.241 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@H](O)C2CC2)CCS(=O)(=O)CC1 ZINC001605923015 1018675468 /nfs/dbraw/zinc/67/54/68/1018675468.db2.gz QKVHRGASVJYAEG-VIFPVBQESA-N -1 0 305.352 -0.847 20 0 DBADRM CCn1cc(CC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cn1 ZINC001605920044 1018675477 /nfs/dbraw/zinc/67/54/77/1018675477.db2.gz BPAVMSFHMHRIAB-LLVKDONJSA-N -1 0 308.338 -0.363 20 0 DBADRM O=C([O-])C1(C(=O)N[C@H]2CCC[C@@H]2O)CCS(=O)(=O)CC1 ZINC001605934660 1018677575 /nfs/dbraw/zinc/67/75/75/1018677575.db2.gz NOUIFBIWBBAONC-IUCAKERBSA-N -1 0 305.352 -0.704 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])c1C ZINC001605938948 1018677685 /nfs/dbraw/zinc/67/76/85/1018677685.db2.gz NYDVHDDZTMLTKU-LLVKDONJSA-N -1 0 305.356 -0.366 20 0 DBADRM CCn1ccnc1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001605931663 1018677873 /nfs/dbraw/zinc/67/78/73/1018677873.db2.gz WHDZNBROHUQWMF-UHFFFAOYSA-N -1 0 310.354 -0.238 20 0 DBADRM O=C([O-])C1(C(=O)NCCN2CCCC2)CCS(=O)(=O)CC1 ZINC001605925957 1018678088 /nfs/dbraw/zinc/67/80/88/1018678088.db2.gz ZSAGHJMQYFJEAB-UHFFFAOYSA-N -1 0 318.395 -0.522 20 0 DBADRM O=C([O-])C1(C(=O)NCC[C@H]2CCCS2(=O)=O)CCOCC1 ZINC001605924944 1018678185 /nfs/dbraw/zinc/67/81/85/1018678185.db2.gz GTOOBYALGIGOQP-SNVBAGLBSA-N -1 0 319.379 -0.049 20 0 DBADRM CCn1cnc(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001605932102 1018678253 /nfs/dbraw/zinc/67/82/53/1018678253.db2.gz CXXRCNNSPMOFSL-WDEREUQCSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1ncc(CNC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)n1 ZINC001605941465 1018680069 /nfs/dbraw/zinc/68/00/69/1018680069.db2.gz XCDLKDFWLQQBQH-GXSJLCMTSA-N -1 0 302.356 -0.725 20 0 DBADRM CCn1ncc(C(=O)N(C)CCNc2ncc(C(=O)[O-])cn2)n1 ZINC001605940963 1018680208 /nfs/dbraw/zinc/68/02/08/1018680208.db2.gz AECNYLMOPRWCHY-UHFFFAOYSA-N -1 0 319.325 -0.030 20 0 DBADRM CCn1ncn(NC(=O)Nc2cccc(CC(=O)[O-])n2)c1=O ZINC001605946009 1018680413 /nfs/dbraw/zinc/68/04/13/1018680413.db2.gz PNDQFFHLXBSALO-UHFFFAOYSA-N -1 0 306.282 -0.138 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001605946740 1018680564 /nfs/dbraw/zinc/68/05/64/1018680564.db2.gz CKTLRXXRBITGPO-SECBINFHSA-N -1 0 309.326 -0.620 20 0 DBADRM CCn1nnc(C)c1CN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001605945300 1018680632 /nfs/dbraw/zinc/68/06/32/1018680632.db2.gz IUJCWGNBCFZJGP-NEPJUHHUSA-N -1 0 321.381 -0.029 20 0 DBADRM CCn1nccc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001605944900 1018680702 /nfs/dbraw/zinc/68/07/02/1018680702.db2.gz CQXXIYBFXNGSBU-NXEZZACHSA-N -1 0 306.322 -0.436 20 0 DBADRM CCn1ncc(CNS(=O)(=O)CC2(C(=O)[O-])CCC2)n1 ZINC001605941304 1018680710 /nfs/dbraw/zinc/68/07/10/1018680710.db2.gz SODXEMMNFSJAMV-UHFFFAOYSA-N -1 0 302.356 -0.028 20 0 DBADRM CN(C(=O)C(N)=O)C1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001605949797 1018681336 /nfs/dbraw/zinc/68/13/36/1018681336.db2.gz KZTQDOLABKZUTC-UHFFFAOYSA-N -1 0 307.310 -0.913 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC001606037519 1018703987 /nfs/dbraw/zinc/70/39/87/1018703987.db2.gz JELXYUYJAFITOS-SECBINFHSA-N -1 0 324.424 -0.313 20 0 DBADRM CN(C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)C1CC(C)(C)C1 ZINC001605951010 1018681728 /nfs/dbraw/zinc/68/17/28/1018681728.db2.gz FQHWWOVRKJLEQM-GXSJLCMTSA-N -1 0 312.366 -0.073 20 0 DBADRM CN(C(=O)C(=O)NC1COC(C)(C)OC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605951502 1018681877 /nfs/dbraw/zinc/68/18/77/1018681877.db2.gz JTGUCHGXIOTGGQ-WAAGHKOSSA-N -1 0 314.338 -0.424 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001605955586 1018681979 /nfs/dbraw/zinc/68/19/79/1018681979.db2.gz AHPDMSAOIDYDCG-UWVGGRQHSA-N -1 0 321.337 -0.412 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CCN(Cc2nnn(C)n2)CC1 ZINC001605955754 1018682007 /nfs/dbraw/zinc/68/20/07/1018682007.db2.gz CHYCMMOZIJVSRB-MNOVXSKESA-N -1 0 322.369 -0.646 20 0 DBADRM CN(C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605951974 1018682127 /nfs/dbraw/zinc/68/21/27/1018682127.db2.gz NKZHGQPPJFIDGD-KKZNHRDASA-N -1 0 323.349 -0.813 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2ncccc2O)C1 ZINC001605957600 1018682595 /nfs/dbraw/zinc/68/25/95/1018682595.db2.gz UKYCSFLSMATHHP-NXEZZACHSA-N -1 0 319.317 -0.209 20 0 DBADRM CN(C(=O)CCNC(=O)CO)c1ccc(OCC(=O)[O-])cc1 ZINC001605957301 1018682667 /nfs/dbraw/zinc/68/26/67/1018682667.db2.gz AZKMCMNAHCKICC-UHFFFAOYSA-N -1 0 310.306 -0.389 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001605955646 1018682705 /nfs/dbraw/zinc/68/27/05/1018682705.db2.gz BHSXEDWPXDZDLD-BDAKNGLRSA-N -1 0 322.321 -0.871 20 0 DBADRM Cc1ccn(CC(=O)N2CCOCC2)c(=O)c1-c1nnn[n-]1 ZINC001605948502 1018682971 /nfs/dbraw/zinc/68/29/71/1018682971.db2.gz NKDBZBOBQZEUIE-UHFFFAOYSA-N -1 0 304.310 -0.804 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)CN[C@@]1(CC(=O)[O-])CCCOC1 ZINC001606045135 1018705777 /nfs/dbraw/zinc/70/57/77/1018705777.db2.gz GTLXTEOERNTXLW-GTJPDFRWSA-N -1 0 321.399 -0.299 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCc2nnc(-c3ccncc3)[nH]2)C1 ZINC001605970187 1018683795 /nfs/dbraw/zinc/68/37/95/1018683795.db2.gz MIPCSTKYIOYDKR-VIFPVBQESA-N -1 0 316.277 -0.288 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@@H]2COc3ccccc3[C@H]2O)C1 ZINC001605967974 1018683932 /nfs/dbraw/zinc/68/39/32/1018683932.db2.gz QTHCAOPDKBNTDZ-ADEWGFFLSA-N -1 0 306.274 -0.173 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)CCOC1 ZINC001605961668 1018684568 /nfs/dbraw/zinc/68/45/68/1018684568.db2.gz KDEIAXLKXUFVDP-STQMWFEESA-N -1 0 318.395 -0.365 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@H]2COc3ccccc3[C@H]2O)C1 ZINC001605967977 1018684618 /nfs/dbraw/zinc/68/46/18/1018684618.db2.gz QTHCAOPDKBNTDZ-ZMLRMANQSA-N -1 0 306.274 -0.173 20 0 DBADRM CN(C(=O)Cn1cc(C(=O)[O-])nn1)C1CCS(=O)CC1 ZINC001605966298 1018685874 /nfs/dbraw/zinc/68/58/74/1018685874.db2.gz FHEBIDRZFJDTLU-UHFFFAOYSA-N -1 0 300.340 -0.654 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)CCc2ncc[nH]2)C1 ZINC001605958353 1018685903 /nfs/dbraw/zinc/68/59/03/1018685903.db2.gz ZWWQPKYPWQNKAP-WDEREUQCSA-N -1 0 320.349 -0.268 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCCc2nnc3ccccn32)C1 ZINC001605967950 1018686070 /nfs/dbraw/zinc/68/60/70/1018686070.db2.gz QGTWIKZQIJVYCX-SECBINFHSA-N -1 0 303.278 -0.383 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NC[C@H]2CC3(CO2)CCOCC3)C1 ZINC001605966594 1018686257 /nfs/dbraw/zinc/68/62/57/1018686257.db2.gz AMWIYYJPHRSTED-MWLCHTKSSA-N -1 0 312.322 -0.082 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=S)NCCCC(=O)[O-])O1 ZINC001605990971 1018687225 /nfs/dbraw/zinc/68/72/25/1018687225.db2.gz CNHOTMYADBWXBU-UWVGGRQHSA-N -1 0 317.411 -0.049 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NN2CCc3ccccc3C2=O)C1 ZINC001605971327 1018687304 /nfs/dbraw/zinc/68/73/04/1018687304.db2.gz XNVWIXVCGHVIIQ-NSHDSACASA-N -1 0 303.274 -0.054 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NN2CCc3ccccc3C2=O)C1 ZINC001605971326 1018688157 /nfs/dbraw/zinc/68/81/57/1018688157.db2.gz XNVWIXVCGHVIIQ-LLVKDONJSA-N -1 0 303.274 -0.054 20 0 DBADRM CN(C(=O)c1cnon1)C1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001605988593 1018688206 /nfs/dbraw/zinc/68/82/06/1018688206.db2.gz JWDZQFOZCJXPFP-UWVGGRQHSA-N -1 0 322.321 -0.147 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001605974757 1018688371 /nfs/dbraw/zinc/68/83/71/1018688371.db2.gz VQNVPPCUBMBKHV-QMMMGPOBSA-N -1 0 307.310 -0.658 20 0 DBADRM CN(C(=O)Nc1ccc(C(=O)[O-])nn1)[C@H]1CCS(=O)(=O)C1 ZINC001605972974 1018689036 /nfs/dbraw/zinc/68/90/36/1018689036.db2.gz LBISTADXHBPZQH-ZETCQYMHSA-N -1 0 314.323 -0.174 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)C1 ZINC001605977956 1018689165 /nfs/dbraw/zinc/68/91/65/1018689165.db2.gz ORNXAZWJUZAIQI-MXWKQRLJSA-N -1 0 316.379 -0.472 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)CC1 ZINC001605997994 1018690331 /nfs/dbraw/zinc/69/03/31/1018690331.db2.gz IXYRSSPBDBQNHE-SECBINFHSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN(CC3CC3)CC2)C1 ZINC001606000224 1018690885 /nfs/dbraw/zinc/69/08/85/1018690885.db2.gz SZFGPKYAVAYYCO-GFCCVEGCSA-N -1 0 309.366 -0.526 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cn1 ZINC001606000474 1018691029 /nfs/dbraw/zinc/69/10/29/1018691029.db2.gz SWFIUFUJUHZXCP-DTORHVGOSA-N -1 0 309.326 -0.044 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](O)C(F)(F)C2)C1 ZINC001606000340 1018691114 /nfs/dbraw/zinc/69/11/14/1018691114.db2.gz ZHPVRCMIOVIMMW-SFYZADRCSA-N -1 0 306.265 -0.852 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)OC2CC(CC(=O)[O-])C2)nn1 ZINC001606000503 1018691132 /nfs/dbraw/zinc/69/11/32/1018691132.db2.gz UZGZDKQBHNRUFJ-UHFFFAOYSA-N -1 0 310.310 -0.224 20 0 DBADRM CN(CC(C)(CO)CO)C(=O)CCc1ocnc1C(=O)[O-] ZINC001606090556 1018715954 /nfs/dbraw/zinc/71/59/54/1018715954.db2.gz TZPYSHHRYHBTEJ-UHFFFAOYSA-N -1 0 300.311 -0.245 20 0 DBADRM CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccco1 ZINC001606012077 1018694059 /nfs/dbraw/zinc/69/40/59/1018694059.db2.gz KFMAEJHPNSLEAD-AXFHLTTASA-N -1 0 323.349 -0.022 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cn1 ZINC001606000579 1018694520 /nfs/dbraw/zinc/69/45/20/1018694520.db2.gz ZQGNQXOOARBWFP-ZJUUUORDSA-N -1 0 310.310 -0.458 20 0 DBADRM CN(C)C(=O)c1ccc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)nc1 ZINC001606005986 1018694643 /nfs/dbraw/zinc/69/46/43/1018694643.db2.gz BMGSMXZOTKHZJQ-CQSZACIVSA-N -1 0 322.321 -0.163 20 0 DBADRM CN(C)C(=O)NC1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC001606001779 1018694842 /nfs/dbraw/zinc/69/48/42/1018694842.db2.gz FERMNVBHCJTSPT-UHFFFAOYSA-N -1 0 324.341 -0.762 20 0 DBADRM CN(C)C(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC001606007700 1018695514 /nfs/dbraw/zinc/69/55/14/1018695514.db2.gz PUWASYCBAGTRJG-JTQLQIEISA-N -1 0 316.335 -0.888 20 0 DBADRM Cc1nc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)sc1C ZINC001606029635 1018698915 /nfs/dbraw/zinc/69/89/15/1018698915.db2.gz OPLYILXANHFQOZ-UHFFFAOYSA-N -1 0 319.354 -0.038 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Cn2nnnc2-c2ccccc2)CCO1 ZINC001606035222 1018702575 /nfs/dbraw/zinc/70/25/75/1018702575.db2.gz CJOXHXLUXCCLIE-LLVKDONJSA-N -1 0 317.305 -0.348 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCCC23OCCO3)CCO1 ZINC001606035454 1018702966 /nfs/dbraw/zinc/70/29/66/1018702966.db2.gz IVPDFPLRBLMOKR-VHSXEESVSA-N -1 0 300.311 -0.223 20 0 DBADRM CN(C)S(=O)(=O)CCN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606037937 1018703251 /nfs/dbraw/zinc/70/32/51/1018703251.db2.gz RCOCIIRWICYPDR-VIFPVBQESA-N -1 0 317.371 -0.886 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2CCC[C@@H]2CCOC2=O)C1 ZINC001606030175 1018703434 /nfs/dbraw/zinc/70/34/34/1018703434.db2.gz CAXNIPJEUDNZBO-NXEZZACHSA-N -1 0 309.326 -0.073 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(Cc2oncc2C(=O)[O-])CC1 ZINC001606038778 1018704204 /nfs/dbraw/zinc/70/42/04/1018704204.db2.gz DPONJMRWFLPSMU-UHFFFAOYSA-N -1 0 318.355 -0.703 20 0 DBADRM Cc1nc(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)cs1 ZINC001606040430 1018705035 /nfs/dbraw/zinc/70/50/35/1018705035.db2.gz KEOJGVUCOOSXFS-UHFFFAOYSA-N -1 0 319.354 -0.418 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001606044863 1018705174 /nfs/dbraw/zinc/70/51/74/1018705174.db2.gz CYYIMOVRRCYOOK-LZVRBXCZSA-N -1 0 313.401 -0.398 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC001606045792 1018705746 /nfs/dbraw/zinc/70/57/46/1018705746.db2.gz RMMFCEUNEADICH-NIVTXAMTSA-N -1 0 313.401 -0.352 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)CN1CCSC[C@H](C(=O)[O-])C1 ZINC001606044789 1018705878 /nfs/dbraw/zinc/70/58/78/1018705878.db2.gz BBZFAVLJPCSXBH-YBYGRFCBSA-N -1 0 323.440 -0.163 20 0 DBADRM Cc1nc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)c(C)s1 ZINC001606044451 1018706341 /nfs/dbraw/zinc/70/63/41/1018706341.db2.gz GEMSGZZYZZZIRE-UHFFFAOYSA-N -1 0 319.350 -0.151 20 0 DBADRM CCO[C@H](C)C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001501436082 1018707765 /nfs/dbraw/zinc/70/77/65/1018707765.db2.gz TVEUDBOMXJPJLI-BDAKNGLRSA-N -1 0 314.342 -0.944 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1nnc(C2CC2)o1 ZINC001606057083 1018707903 /nfs/dbraw/zinc/70/79/03/1018707903.db2.gz LLFJUZPIXGLLBW-ZETCQYMHSA-N -1 0 315.307 -0.729 20 0 DBADRM CN(C)c1cnc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)cn1 ZINC001606065888 1018707921 /nfs/dbraw/zinc/70/79/21/1018707921.db2.gz OTXIHNKJVFBLMY-SNVBAGLBSA-N -1 0 322.321 -0.225 20 0 DBADRM CN(C)c1n[nH]c(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1 ZINC001606066019 1018709004 /nfs/dbraw/zinc/70/90/04/1018709004.db2.gz VNRLKCXFHNJGRF-ZETCQYMHSA-N -1 0 310.314 -0.868 20 0 DBADRM O=C([O-])CC1(C(=O)N2CCN3CCOC[C@@H]3C2)CCOCC1 ZINC001606070365 1018710619 /nfs/dbraw/zinc/71/06/19/1018710619.db2.gz DEMRTYSHMAAADZ-LBPRGKRZSA-N -1 0 312.366 -0.199 20 0 DBADRM O=C([O-])CC1(C(=O)N[C@H]2CCc3nnnn3CC2)CCOCC1 ZINC001606072421 1018710684 /nfs/dbraw/zinc/71/06/84/1018710684.db2.gz FQQLPMKAFGAGDW-JTQLQIEISA-N -1 0 323.353 -0.234 20 0 DBADRM CN(C)c1noc(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC001606070240 1018710980 /nfs/dbraw/zinc/71/09/80/1018710980.db2.gz MNHMLRZVEHYOIX-MRVPVSSYSA-N -1 0 313.314 -0.479 20 0 DBADRM CN(C)c1noc(CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])n1 ZINC001606070202 1018711365 /nfs/dbraw/zinc/71/13/65/1018711365.db2.gz KQRVMJMRGOPARF-VXNVDRBHSA-N -1 0 313.314 -0.576 20 0 DBADRM O=C([O-])CC1(C(=O)N2C[C@@H](CO)[C@H](CO)C2)CCOCC1 ZINC001606070418 1018711825 /nfs/dbraw/zinc/71/18/25/1018711825.db2.gz GUDJBLNLGVLUEZ-QWRGUYRKSA-N -1 0 301.339 -0.683 20 0 DBADRM CN([C@]1(CO)CCOC1)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001606072264 1018712016 /nfs/dbraw/zinc/71/20/16/1018712016.db2.gz LUIRGHNWAWIONB-SCVCMEIPSA-N -1 0 307.368 -0.347 20 0 DBADRM CN(C)c1n[nH]c(CNS(=O)(=O)c2occc2C(=O)[O-])n1 ZINC001606070294 1018712253 /nfs/dbraw/zinc/71/22/53/1018712253.db2.gz PFPSBLFXQNQQMW-UHFFFAOYSA-N -1 0 315.311 -0.360 20 0 DBADRM CN(C)c1n[nH]c(CNS(=O)(=O)CC2(C(=O)[O-])CC2)n1 ZINC001606070439 1018712296 /nfs/dbraw/zinc/71/22/96/1018712296.db2.gz RXFURNGTZXFKRV-UHFFFAOYSA-N -1 0 303.344 -0.845 20 0 DBADRM CN(CC(=O)N[C@H](CC1CC1)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001606079470 1018712389 /nfs/dbraw/zinc/71/23/89/1018712389.db2.gz KIZOANVPUUGKLG-GHMZBOCLSA-N -1 0 318.395 -0.525 20 0 DBADRM CN(CC(C)(C)S(C)(=O)=O)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001606090706 1018713399 /nfs/dbraw/zinc/71/33/99/1018713399.db2.gz RBLJKYODOASTSB-UHFFFAOYSA-N -1 0 317.367 -0.137 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H]2CCOC2)cc1-c1nn[nH]n1 ZINC001606091776 1018713714 /nfs/dbraw/zinc/71/37/14/1018713714.db2.gz RIJGDGLMUZLALB-MRVPVSSYSA-N -1 0 310.339 -0.363 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CCC(CO)CC2)C1 ZINC001606091022 1018714197 /nfs/dbraw/zinc/71/41/97/1018714197.db2.gz WFFBLFCZCRUBEE-LBPRGKRZSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CCn3cncc3C2)C1 ZINC001606090207 1018714211 /nfs/dbraw/zinc/71/42/11/1018714211.db2.gz DHVIMXVUKLURQV-NSHDSACASA-N -1 0 320.349 -0.061 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)NCCn2ccnc2)C1 ZINC001606090775 1018714261 /nfs/dbraw/zinc/71/42/61/1018714261.db2.gz RYHCFBZTLSTPIV-LLVKDONJSA-N -1 0 308.338 -0.287 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CCNC(=O)CC2)C1 ZINC001606090296 1018714790 /nfs/dbraw/zinc/71/47/90/1018714790.db2.gz GOGJATDNANSHSO-JTQLQIEISA-N -1 0 311.338 -0.952 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)[C@H](C(=O)[O-])c1cccnc1 ZINC001606094596 1018716473 /nfs/dbraw/zinc/71/64/73/1018716473.db2.gz CZQSNNAFFCEAMB-KBPBESRZSA-N -1 0 309.366 -0.168 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606093969 1018716910 /nfs/dbraw/zinc/71/69/10/1018716910.db2.gz NWNHJSUIHASPRY-JTQLQIEISA-N -1 0 307.306 -0.052 20 0 DBADRM CN(Cc1nncn1C)CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001606179255 1018717368 /nfs/dbraw/zinc/71/73/68/1018717368.db2.gz JFPTXWCRKIHDTC-ZDUSSCGKSA-N -1 0 324.341 -0.620 20 0 DBADRM CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001606099260 1018718363 /nfs/dbraw/zinc/71/83/63/1018718363.db2.gz ASFGJEYJBBZTIB-SRVKXCTJSA-N -1 0 310.350 -0.105 20 0 DBADRM CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001606099258 1018718530 /nfs/dbraw/zinc/71/85/30/1018718530.db2.gz ASFGJEYJBBZTIB-QJPTWQEYSA-N -1 0 310.350 -0.105 20 0 DBADRM CN(C[C@H](O)CNc1ncc(C(=O)[O-])cn1)C(=O)c1cocn1 ZINC001606095098 1018718742 /nfs/dbraw/zinc/71/87/42/1018718742.db2.gz GYXNNXNVIIWEBB-SECBINFHSA-N -1 0 321.293 -0.292 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001606094347 1018719136 /nfs/dbraw/zinc/71/91/36/1018719136.db2.gz URFHYXGQLCLQCO-MKBNYLNASA-N -1 0 324.377 -0.071 20 0 DBADRM CN(c1ccnc(C(=O)[O-])n1)[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001606183674 1018719080 /nfs/dbraw/zinc/71/90/80/1018719080.db2.gz HDQDFSPTFQKMHY-QMMMGPOBSA-N -1 0 318.293 -0.091 20 0 DBADRM CN(c1ccnc(C(N)=O)c1)S(=O)(=O)CCCC(=O)[O-] ZINC001606183952 1018719168 /nfs/dbraw/zinc/71/91/68/1018719168.db2.gz WPCGISOOLOZMGB-UHFFFAOYSA-N -1 0 301.324 -0.189 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)NC3CC(CC(=O)[O-])C3)C[C@H]2C1=O ZINC001606194806 1018721876 /nfs/dbraw/zinc/72/18/76/1018721876.db2.gz VJMBBIVSZDTADZ-OXYCZDQYSA-N -1 0 309.322 -0.504 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1nc(CO)cs1 ZINC001606110475 1018722324 /nfs/dbraw/zinc/72/23/24/1018722324.db2.gz MYVOKYDUAZPWHZ-UHFFFAOYSA-N -1 0 309.369 -0.624 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])CC2)C1=O ZINC001606193887 1018723981 /nfs/dbraw/zinc/72/39/81/1018723981.db2.gz CHQCOTLUCWROQC-RKDXNWHRSA-N -1 0 324.337 -0.567 20 0 DBADRM O=C([O-])CCNC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001606192449 1018724471 /nfs/dbraw/zinc/72/44/71/1018724471.db2.gz NWGXTFAQDSXSBR-LLVKDONJSA-N -1 0 306.340 -0.940 20 0 DBADRM Cc1nnc(COC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1C ZINC001606120272 1018724825 /nfs/dbraw/zinc/72/48/25/1018724825.db2.gz KAAJHBCZIZZSPL-LURJTMIESA-N -1 0 318.301 -0.800 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)C(F)(F)C2(O)CCCC2)CC1=O ZINC001606197761 1018724869 /nfs/dbraw/zinc/72/48/69/1018724869.db2.gz KKNSSVOZGHNGNR-QMMMGPOBSA-N -1 0 320.292 -0.319 20 0 DBADRM CN1C[C@H](C(=O)NCCOc2ccc(C(=O)[O-])cc2)NC1=O ZINC001606197914 1018725157 /nfs/dbraw/zinc/72/51/57/1018725157.db2.gz OHTHGMKWFUNNMA-LLVKDONJSA-N -1 0 307.306 -0.097 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)C2(C)COC(C)(C)OC2)CC1=O ZINC001606198172 1018725259 /nfs/dbraw/zinc/72/52/59/1018725259.db2.gz RPKJZMAUBUGLLF-VIFPVBQESA-N -1 0 314.338 -0.471 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)Cc2ccc3c(c2)CCO3)CC1=O ZINC001606199503 1018725488 /nfs/dbraw/zinc/72/54/88/1018725488.db2.gz GTAGKTGSMZUGBM-GFCCVEGCSA-N -1 0 318.329 -0.082 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cccc3ncnn32)CC1=O ZINC001606200350 1018725595 /nfs/dbraw/zinc/72/55/95/1018725595.db2.gz RHYBBPCUHRZOTK-VIFPVBQESA-N -1 0 303.278 -0.903 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1cnn(C)n1 ZINC001606121368 1018725764 /nfs/dbraw/zinc/72/57/64/1018725764.db2.gz RTGPUCMOTJIXFZ-ZJUUUORDSA-N -1 0 323.353 -0.544 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001606117235 1018726102 /nfs/dbraw/zinc/72/61/02/1018726102.db2.gz PFOKRIAYLJOQML-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(CO)c(F)c2)CC1=O ZINC001606198919 1018726632 /nfs/dbraw/zinc/72/66/32/1018726632.db2.gz BMFBAISKIQEQGD-NSHDSACASA-N -1 0 310.281 -0.315 20 0 DBADRM Cc1nn(C[C@@H]2CCC3(COC3)O2)c(=O)c(-c2nnn[n-]2)c1C ZINC001606114139 1018727013 /nfs/dbraw/zinc/72/70/13/1018727013.db2.gz FBLXZJLFLBGGAI-JTQLQIEISA-N -1 0 318.337 -0.012 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)Cn1cncn1 ZINC001606121069 1018727700 /nfs/dbraw/zinc/72/77/00/1018727700.db2.gz MKTVHTCFYIMJQY-QWRGUYRKSA-N -1 0 323.353 -0.694 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NCc2cc(=O)[nH]c(=O)[nH]2)CO1 ZINC001606112047 1018727892 /nfs/dbraw/zinc/72/78/92/1018727892.db2.gz SCAXOVJZJLQONJ-VXNVDRBHSA-N -1 0 311.294 -0.226 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)NCc2cc(=O)[nH]c(=O)[nH]2)CO1 ZINC001606112044 1018729380 /nfs/dbraw/zinc/72/93/80/1018729380.db2.gz SCAXOVJZJLQONJ-APPZFPTMSA-N -1 0 311.294 -0.226 20 0 DBADRM CN1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CCC1=O ZINC001606202196 1018730410 /nfs/dbraw/zinc/73/04/10/1018730410.db2.gz FUIKIZSEOMTHRI-ZCFIWIBFSA-N -1 0 302.312 -0.993 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1CCC(=O)N(C)C1 ZINC001606202642 1018731399 /nfs/dbraw/zinc/73/13/99/1018731399.db2.gz LPCKNVNCNQTUSU-GFCCVEGCSA-N -1 0 311.382 -0.138 20 0 DBADRM Cn1c(=O)[nH]c(N2CCCC23CCC3)c(-c2nnn[n-]2)c1=O ZINC001606201425 1018731465 /nfs/dbraw/zinc/73/14/65/1018731465.db2.gz APYLYSRHOCLCOZ-UHFFFAOYSA-N -1 0 303.326 -0.223 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(Cc2nc(CC(F)(F)F)no2)CC1=O ZINC001606202840 1018731797 /nfs/dbraw/zinc/73/17/97/1018731797.db2.gz JPHPJEZVORVJRG-LURJTMIESA-N -1 0 322.243 -0.098 20 0 DBADRM CN(CCCNC(=O)[C@H]1COCCO1)c1ccnc(C(=O)[O-])n1 ZINC001606122113 1018731726 /nfs/dbraw/zinc/73/17/26/1018731726.db2.gz GATBDMMUWBXMCJ-SNVBAGLBSA-N -1 0 324.337 -0.467 20 0 DBADRM CN(CCN1CCCC1=O)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001606127540 1018732699 /nfs/dbraw/zinc/73/26/99/1018732699.db2.gz TYQOZVIHSXRTNK-UHFFFAOYSA-N -1 0 304.368 -0.122 20 0 DBADRM CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)c1cnn(C)c1 ZINC001606122550 1018733741 /nfs/dbraw/zinc/73/37/41/1018733741.db2.gz ORNYJOJFNGOYPN-UHFFFAOYSA-N -1 0 318.337 -0.096 20 0 DBADRM Cc1noc(C)c1Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC001606131728 1018734639 /nfs/dbraw/zinc/73/46/39/1018734639.db2.gz MNWIHBYVLPKHBJ-UHFFFAOYSA-N -1 0 303.282 -0.620 20 0 DBADRM CN(CCNS(=O)(=O)N(C)CCC(=O)[O-])CC(F)F ZINC001606133012 1018735974 /nfs/dbraw/zinc/73/59/74/1018735974.db2.gz ISFZGBNTLWTASQ-UHFFFAOYSA-N -1 0 303.331 -0.576 20 0 DBADRM CN(CCNC(=O)Cc1ccon1)c1ccnc(C(=O)[O-])n1 ZINC001606130046 1018736964 /nfs/dbraw/zinc/73/69/64/1018736964.db2.gz ZWBICQVOGVJNCI-UHFFFAOYSA-N -1 0 305.294 -0.042 20 0 DBADRM CN(CCO)CCNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001606134173 1018737989 /nfs/dbraw/zinc/73/79/89/1018737989.db2.gz OHQYQMDGUDGYAK-MNOVXSKESA-N -1 0 308.400 -0.527 20 0 DBADRM CN(CCO)CCNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001606134174 1018738793 /nfs/dbraw/zinc/73/87/93/1018738793.db2.gz OHQYQMDGUDGYAK-QWRGUYRKSA-N -1 0 308.400 -0.527 20 0 DBADRM CN(CCc1cn(CC(=O)[O-])nn1)[C@@H]1CCS(=O)(=O)C1 ZINC001606140994 1018740338 /nfs/dbraw/zinc/74/03/38/1018740338.db2.gz KWHOOYPZGOGDCR-SNVBAGLBSA-N -1 0 302.356 -0.976 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCC[C@@H]1C1OCCO1 ZINC001606160243 1018740879 /nfs/dbraw/zinc/74/08/79/1018740879.db2.gz ZMWVDZCBAXITBW-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM CN(CCn1cccn1)C(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001606141193 1018741338 /nfs/dbraw/zinc/74/13/38/1018741338.db2.gz ILIBIHMIKFLSET-LLVKDONJSA-N -1 0 308.338 -0.193 20 0 DBADRM CN1CC[C@@H](C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])C1=O ZINC001606211889 1018741797 /nfs/dbraw/zinc/74/17/97/1018741797.db2.gz DRSMTOMZXGILRE-RYUDHWBXSA-N -1 0 305.334 -0.081 20 0 DBADRM CN1CC[C@](C)(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])C1=O ZINC001606214539 1018742554 /nfs/dbraw/zinc/74/25/54/1018742554.db2.gz YQKNVYQTKLHYJL-LKFCYVNXSA-N -1 0 314.338 -0.423 20 0 DBADRM Cn1c(C(=O)[N-]S(=O)(=O)C2CCC2)ccc1-c1nn[nH]n1 ZINC001606213287 1018742814 /nfs/dbraw/zinc/74/28/14/1018742814.db2.gz NJZDWDVKUAVHPL-UHFFFAOYSA-N -1 0 310.339 -0.183 20 0 DBADRM CN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001606159000 1018743610 /nfs/dbraw/zinc/74/36/10/1018743610.db2.gz AVTBSYPVAURCJZ-UHFFFAOYSA-N -1 0 310.281 -0.558 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@@H]3C[C@@H]32)n(C)c1=O ZINC001606217524 1018745053 /nfs/dbraw/zinc/74/50/53/1018745053.db2.gz LZXZSNKDNYVLRN-SFYZADRCSA-N -1 0 303.326 -0.747 20 0 DBADRM CN(Cc1cn(C)nn1)C(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001606172377 1018745598 /nfs/dbraw/zinc/74/55/98/1018745598.db2.gz FRXCQYPUPQTCHP-SNVBAGLBSA-N -1 0 323.353 -0.609 20 0 DBADRM Cc1oc(C=O)cc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001606174099 1018745684 /nfs/dbraw/zinc/74/56/84/1018745684.db2.gz VDVSTWALFVJNSD-UHFFFAOYSA-N -1 0 316.281 -0.398 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2COCC2(C)C)n(C)c1=O ZINC001606218362 1018746346 /nfs/dbraw/zinc/74/63/46/1018746346.db2.gz JDHVKVNJHCGXEK-ZETCQYMHSA-N -1 0 321.341 -0.899 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CC[C@H]2CCCCO2)c1=O ZINC001606221727 1018747895 /nfs/dbraw/zinc/74/78/95/1018747895.db2.gz NAWFVKIXLMFSCK-SECBINFHSA-N -1 0 306.326 -0.314 20 0 DBADRM O=C([O-])CN(C(=O)Cn1ncn2nccc2c1=O)C1CCC1 ZINC001606220084 1018749167 /nfs/dbraw/zinc/74/91/67/1018749167.db2.gz MGOJFHVMGRFTOL-UHFFFAOYSA-N -1 0 305.294 -0.643 20 0 DBADRM CN1CCN(C(=O)C[C@H]2C=CS(=O)(=O)C2)C[C@@H](C(=O)[O-])C1 ZINC001606228394 1018751594 /nfs/dbraw/zinc/75/15/94/1018751594.db2.gz HMSWEOSQZMTYBD-MNOVXSKESA-N -1 0 316.379 -0.590 20 0 DBADRM CN1CCC[C@H](C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)C1=O ZINC001606222959 1018753064 /nfs/dbraw/zinc/75/30/64/1018753064.db2.gz LCFBBUYTNZZKPN-UWVGGRQHSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1CCCC[C@@H](C(=O)NCCC(=O)NCCC(=O)[O-])C1=O ZINC001606226675 1018755567 /nfs/dbraw/zinc/75/55/67/1018755567.db2.gz VKWVIJGLWKUWII-JTQLQIEISA-N -1 0 313.354 -0.658 20 0 DBADRM CN1CCN(C(=O)C[C@@H]2CCCS2(=O)=O)C[C@H](C(=O)[O-])C1 ZINC001606229408 1018756467 /nfs/dbraw/zinc/75/64/67/1018756467.db2.gz XPXRMACYDRAOCU-MNOVXSKESA-N -1 0 318.395 -0.572 20 0 DBADRM CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCC(=O)[O-] ZINC001606234645 1018767034 /nfs/dbraw/zinc/76/70/34/1018767034.db2.gz QRIUQXKNMHTBIY-SECBINFHSA-N -1 0 301.343 -0.262 20 0 DBADRM Cn1cc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)cn1 ZINC001606238513 1018768603 /nfs/dbraw/zinc/76/86/03/1018768603.db2.gz FHPBVQAIZICZSV-UHFFFAOYSA-N -1 0 303.286 -0.988 20 0 DBADRM CN1CCN(CC(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)CC1 ZINC001606239165 1018769684 /nfs/dbraw/zinc/76/96/84/1018769684.db2.gz JQFAZXQMQQKRQK-UHFFFAOYSA-N -1 0 324.381 -0.544 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)CCCn2ccccc2=O)C1=O ZINC001606247046 1018775830 /nfs/dbraw/zinc/77/58/30/1018775830.db2.gz CTAQWOHYTZWLAL-LLVKDONJSA-N -1 0 322.317 -0.143 20 0 DBADRM CN1CCOC[C@H]1CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001606248953 1018776104 /nfs/dbraw/zinc/77/61/04/1018776104.db2.gz DZEKUDDRCLYAIE-SSDOTTSWSA-N -1 0 321.380 -0.550 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])C1 ZINC001606248590 1018776145 /nfs/dbraw/zinc/77/61/45/1018776145.db2.gz CIQWVBYKDMNKKJ-RYUDHWBXSA-N -1 0 300.355 -0.297 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])C1 ZINC001606248589 1018776330 /nfs/dbraw/zinc/77/63/30/1018776330.db2.gz CIQWVBYKDMNKKJ-NWDGAFQWSA-N -1 0 300.355 -0.297 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCCNc2ncccn2)C1=O ZINC001606248980 1018776768 /nfs/dbraw/zinc/77/67/68/1018776768.db2.gz CZSOJGSKRLIDOS-JTQLQIEISA-N -1 0 321.337 -0.672 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)COCc2ccncc2)C1=O ZINC001606248003 1018776813 /nfs/dbraw/zinc/77/68/13/1018776813.db2.gz MCDOLEAAFLUASR-NSHDSACASA-N -1 0 308.290 -0.173 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)[C@H]2CCc3ncncc3C2)C1=O ZINC001606247105 1018776859 /nfs/dbraw/zinc/77/68/59/1018776859.db2.gz FFIPASBTLRYBBU-CABZTGNLSA-N -1 0 319.317 -0.190 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)c2c[nH]cc(Cl)c2=O)C1=O ZINC001606248319 1018777005 /nfs/dbraw/zinc/77/70/05/1018777005.db2.gz UPPBXXBXKAKCEI-MRVPVSSYSA-N -1 0 314.681 -0.129 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)OCCN2CCOCC2)C1=O ZINC001606252901 1018778884 /nfs/dbraw/zinc/77/88/84/1018778884.db2.gz CTKIKDZLJXEEMX-NSHDSACASA-N -1 0 314.338 -0.815 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@@H]3COC[C@H]3C2)C1=O ZINC001606252357 1018779058 /nfs/dbraw/zinc/77/90/58/1018779058.db2.gz XNLOKZOWWXJDLB-UTUOFQBUSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])CN1CCC[C@@H]1COC(=O)CS(=O)(=O)C1CC1 ZINC001606257239 1018782652 /nfs/dbraw/zinc/78/26/52/1018782652.db2.gz JPESIHWQSCPJHH-SECBINFHSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1=O ZINC001606255768 1018783498 /nfs/dbraw/zinc/78/34/98/1018783498.db2.gz RIQMXNNZUSMDHQ-ZJUUUORDSA-N -1 0 311.338 -0.763 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)CCn2cccn2)C1=O ZINC001606257447 1018783634 /nfs/dbraw/zinc/78/36/34/1018783634.db2.gz MQKXWYRXFYMXON-LLVKDONJSA-N -1 0 308.338 -0.145 20 0 DBADRM O=C([O-])CN1CCCC[C@H](N2C(=O)CN(C3CC3)C2=O)C1=O ZINC001606257659 1018784237 /nfs/dbraw/zinc/78/42/37/1018784237.db2.gz NOVYNSCOLPTETD-JTQLQIEISA-N -1 0 309.322 -0.121 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001606263651 1018785247 /nfs/dbraw/zinc/78/52/47/1018785247.db2.gz PLORXNBXCVYNFC-RULNRJAQSA-N -1 0 313.354 -0.356 20 0 DBADRM O=C([O-])CNC(=O)CN1CCOC[C@H]1CC1CCOCC1 ZINC001606264610 1018785789 /nfs/dbraw/zinc/78/57/89/1018785789.db2.gz NOXRRZBQWMAPMP-GFCCVEGCSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001606264354 1018786432 /nfs/dbraw/zinc/78/64/32/1018786432.db2.gz GGCREUCUXVBHOP-PWSUYJOCSA-N -1 0 324.308 -0.469 20 0 DBADRM CNC(=O)[C@@H]1CCN(C(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001606262239 1018786676 /nfs/dbraw/zinc/78/66/76/1018786676.db2.gz SZCNHSBYDGHOLE-MRVPVSSYSA-N -1 0 311.294 -0.516 20 0 DBADRM O=C([O-])CNC(=O)Cn1cc(C(=O)c2ccc(F)cc2)nn1 ZINC001606264630 1018786972 /nfs/dbraw/zinc/78/69/72/1018786972.db2.gz MFSJEKCWTDUWMN-UHFFFAOYSA-N -1 0 306.253 -0.151 20 0 DBADRM CN1N=C(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])CCC1=O ZINC001606259267 1018787327 /nfs/dbraw/zinc/78/73/27/1018787327.db2.gz NNDIRNWVSGUQCJ-SECBINFHSA-N -1 0 310.335 -0.137 20 0 DBADRM O=C([O-])CNC(=O)CN1CC[C@H](c2ccccc2)S1(=O)=O ZINC001606264430 1018788459 /nfs/dbraw/zinc/78/84/59/1018788459.db2.gz KUSVSJUUYGAWHH-LLVKDONJSA-N -1 0 312.347 -0.036 20 0 DBADRM CNC(=O)[C@@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])c2)CCO1 ZINC001606266309 1018788825 /nfs/dbraw/zinc/78/88/25/1018788825.db2.gz PXSBWYDDYIVITQ-LBPRGKRZSA-N -1 0 321.333 -0.230 20 0 DBADRM CNC(=O)C[C@H](C)NS(=O)(=O)c1csnc1C(=O)[O-] ZINC001606267389 1018788976 /nfs/dbraw/zinc/78/89/76/1018788976.db2.gz DALMYTDUEHGPLX-YFKPBYRVSA-N -1 0 307.353 -0.356 20 0 DBADRM CNC(=O)CCN(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001606267274 1018789278 /nfs/dbraw/zinc/78/92/78/1018789278.db2.gz WKNBKXRRUJAFNI-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)Nc2nn(C)cc2C(=O)[O-])CCO1 ZINC001606266431 1018791793 /nfs/dbraw/zinc/79/17/93/1018791793.db2.gz UYFLUXBZKJMXMG-MRVPVSSYSA-N -1 0 311.298 -0.903 20 0 DBADRM CNC(=O)CCN(C)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001606266773 1018792054 /nfs/dbraw/zinc/79/20/54/1018792054.db2.gz ADYTXYSSZLTOTG-UHFFFAOYSA-N -1 0 303.340 -0.520 20 0 DBADRM CNC(=O)CCCNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606269887 1018792873 /nfs/dbraw/zinc/79/28/73/1018792873.db2.gz TWOJATWOXJAOHR-VIFPVBQESA-N -1 0 324.341 -0.541 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC001606271052 1018793976 /nfs/dbraw/zinc/79/39/76/1018793976.db2.gz NQRDVIUZGDNNTQ-HWKANZROSA-N -1 0 321.333 -0.119 20 0 DBADRM CNC(=O)N[C@@H]1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001606277594 1018799084 /nfs/dbraw/zinc/79/90/84/1018799084.db2.gz AEEMVYIPNKPEKI-HBNTYKKESA-N -1 0 313.354 -0.214 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCOc2ccccc2C1 ZINC001606279498 1018799307 /nfs/dbraw/zinc/79/93/07/1018799307.db2.gz VTAHVMNIOQJFKB-UHFFFAOYSA-N -1 0 322.317 -0.375 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCC2(C1)OCCO2 ZINC001606279148 1018800118 /nfs/dbraw/zinc/80/01/18/1018800118.db2.gz VBMBFOPWORHCSN-UHFFFAOYSA-N -1 0 318.326 -0.737 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCC(CCO)CC1 ZINC001606278879 1018800131 /nfs/dbraw/zinc/80/01/31/1018800131.db2.gz JWHPSVNAGMHKCB-UHFFFAOYSA-N -1 0 318.370 -0.092 20 0 DBADRM O=C([O-])COCCOCCN1C(=O)N[C@]2(CCSC2)C1=O ZINC001606279035 1018800249 /nfs/dbraw/zinc/80/02/49/1018800249.db2.gz MLTADWZZFGHFRO-LBPRGKRZSA-N -1 0 318.351 -0.468 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001606279247 1018800852 /nfs/dbraw/zinc/80/08/52/1018800852.db2.gz DQBHBPCWMSINTJ-RYUDHWBXSA-N -1 0 315.370 -0.672 20 0 DBADRM CNC(=O)Cc1noc(CN(C)[C@H](COC(C)C)C(=O)[O-])n1 ZINC001606277744 1018801042 /nfs/dbraw/zinc/80/10/42/1018801042.db2.gz QGPVQDRUTBFEPO-SECBINFHSA-N -1 0 314.342 -0.332 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)/C=C\C(=O)[O-])cn1C ZINC001606283370 1018801292 /nfs/dbraw/zinc/80/12/92/1018801292.db2.gz BPBXUSSLCPTQOR-LGYSABEFSA-N -1 0 315.351 -0.308 20 0 DBADRM CNC(=O)NCC(=O)N[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001606282351 1018801340 /nfs/dbraw/zinc/80/13/40/1018801340.db2.gz YABGERLVLXLIAP-ZETCQYMHSA-N -1 0 310.314 -0.980 20 0 DBADRM CNC(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC001606282371 1018802397 /nfs/dbraw/zinc/80/23/97/1018802397.db2.gz YIGIMFWQVMRNOZ-KKZNHRDASA-N -1 0 301.343 -0.310 20 0 DBADRM CNC(=O)c1ccc(NC(=O)NCC(=O)NCC(=O)[O-])c(C)c1 ZINC001606289436 1018803260 /nfs/dbraw/zinc/80/32/60/1018803260.db2.gz FGAWKJLUEKUFER-UHFFFAOYSA-N -1 0 322.321 -0.323 20 0 DBADRM CNC(=O)c1cc(N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)ccn1 ZINC001606283767 1018803826 /nfs/dbraw/zinc/80/38/26/1018803826.db2.gz LIZCFTMHMNNSFU-ZJUUUORDSA-N -1 0 307.306 -0.249 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1 ZINC001606288331 1018803949 /nfs/dbraw/zinc/80/39/49/1018803949.db2.gz XZIOBQZTJFDDAK-KCJUWKMLSA-N -1 0 307.306 -0.245 20 0 DBADRM O=C([O-])COCCOCCNS(=O)(=O)N1CCCCCC1 ZINC001606285645 1018803968 /nfs/dbraw/zinc/80/39/68/1018803968.db2.gz BTQJTLKVKDKESJ-UHFFFAOYSA-N -1 0 324.399 -0.185 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC001606284752 1018804292 /nfs/dbraw/zinc/80/42/92/1018804292.db2.gz KDWJMYSTASAKJW-GHMZBOCLSA-N -1 0 304.343 -0.436 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCOC[C@H]1[C@H]1CCCO1 ZINC001606296262 1018804737 /nfs/dbraw/zinc/80/47/37/1018804737.db2.gz ATUTZSUUYJWVBP-WDEREUQCSA-N -1 0 307.368 -0.634 20 0 DBADRM O=C([O-])CS(=O)(=O)CCNCc1nncn1-c1ccccc1 ZINC001606296497 1018804837 /nfs/dbraw/zinc/80/48/37/1018804837.db2.gz HFLBOFVDPJGUOE-UHFFFAOYSA-N -1 0 324.362 -0.144 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC2=C(CCC(=O)N2)C1 ZINC001606291502 1018805357 /nfs/dbraw/zinc/80/53/57/1018805357.db2.gz MBEQPPZEAHKYIR-UHFFFAOYSA-N -1 0 302.352 -0.644 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(c2nccc(C(=O)[O-])n2)C1 ZINC001606299068 1018806332 /nfs/dbraw/zinc/80/63/32/1018806332.db2.gz REKUAXIMOJPULD-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)NCC(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001606301342 1018806396 /nfs/dbraw/zinc/80/63/96/1018806396.db2.gz CHKWYPMFPYYPSI-UHFFFAOYSA-N -1 0 313.335 -0.672 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2C(=O)[O-])CC1 ZINC001606301894 1018806532 /nfs/dbraw/zinc/80/65/32/1018806532.db2.gz SZDGFUHHXQYARW-SNVBAGLBSA-N -1 0 319.383 -0.762 20 0 DBADRM O=C([O-])CSCC(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001606300323 1018806785 /nfs/dbraw/zinc/80/67/85/1018806785.db2.gz BFNPJYWWVJFNAN-SECBINFHSA-N -1 0 316.379 -0.706 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN[C@@H](c1nc[nH]n1)c1ccccc1 ZINC001606297891 1018806850 /nfs/dbraw/zinc/80/68/50/1018806850.db2.gz XPUJNMWDOUAWPR-GFCCVEGCSA-N -1 0 324.362 -0.017 20 0 DBADRM CNS(=O)(=O)CCNC(=O)CCc1ccccc1C(=O)[O-] ZINC001606302396 1018806896 /nfs/dbraw/zinc/80/68/96/1018806896.db2.gz GKUPVTRRWFOSBY-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001606302597 1018806967 /nfs/dbraw/zinc/80/69/67/1018806967.db2.gz JKASDVLFADEQIM-SECBINFHSA-N -1 0 314.367 -0.060 20 0 DBADRM CNS(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC001606301636 1018807107 /nfs/dbraw/zinc/80/71/07/1018807107.db2.gz LMVSVPCWOKTJPM-SNVBAGLBSA-N -1 0 319.408 -0.044 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1c1ncncc1C(=O)[O-] ZINC001606302603 1018807146 /nfs/dbraw/zinc/80/71/46/1018807146.db2.gz JSXKZNQGNCDIDH-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)N1CCN(Cc2cncc(C(=O)[O-])c2)CC1 ZINC001606302011 1018807287 /nfs/dbraw/zinc/80/72/87/1018807287.db2.gz YKIKEGPZCWUOAR-UHFFFAOYSA-N -1 0 314.367 -0.638 20 0 DBADRM CNc1nc(C)cc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])n1 ZINC001606313343 1018807586 /nfs/dbraw/zinc/80/75/86/1018807586.db2.gz OTJQORYHDCHCIB-SECBINFHSA-N -1 0 307.310 -0.806 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)/C=C/C(=O)[O-])o1 ZINC001606304752 1018807615 /nfs/dbraw/zinc/80/76/15/1018807615.db2.gz VKBONCQZPTVCQZ-MZTFZBDOSA-N -1 0 302.308 -0.053 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001606303517 1018807751 /nfs/dbraw/zinc/80/77/51/1018807751.db2.gz HQEIAFOHEDNXIQ-UHFFFAOYSA-N -1 0 315.351 -0.006 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001606308518 1018807768 /nfs/dbraw/zinc/80/77/68/1018807768.db2.gz CXMRPJIKUYLPRV-LURJTMIESA-N -1 0 322.364 -0.778 20 0 DBADRM CNS(=O)(=O)NCC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001606303631 1018807974 /nfs/dbraw/zinc/80/79/74/1018807974.db2.gz PCWKYMMKRQGRDO-SNVBAGLBSA-N -1 0 321.399 -0.563 20 0 DBADRM CNc1ccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cn1 ZINC001606309904 1018808108 /nfs/dbraw/zinc/80/81/08/1018808108.db2.gz COOZOAMQXXZJBU-JTQLQIEISA-N -1 0 306.322 -0.071 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1C[C@H]2C[C@@]2(O)C1 ZINC001606313106 1018808184 /nfs/dbraw/zinc/80/81/84/1018808184.db2.gz PWFSOWXSJHOCIH-MEBBXXQBSA-N -1 0 304.302 -0.155 20 0 DBADRM CNc1cnc(C(=O)N2C[C@@H](C(=O)OC)CC[C@H]2C(=O)[O-])cn1 ZINC001606312993 1018808196 /nfs/dbraw/zinc/80/81/96/1018808196.db2.gz ITOBGGGMARCADV-WPRPVWTQSA-N -1 0 322.321 -0.003 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001606303591 1018808419 /nfs/dbraw/zinc/80/84/19/1018808419.db2.gz LSAMZGLISDQKOZ-UHFFFAOYSA-N -1 0 317.323 -0.614 20 0 DBADRM CNc1nc(C)ccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001606314657 1018808517 /nfs/dbraw/zinc/80/85/17/1018808517.db2.gz VTSLYMVOZDXGDQ-SNVBAGLBSA-N -1 0 306.322 -0.153 20 0 DBADRM CNc1nc(C)ccc1C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001606314131 1018808821 /nfs/dbraw/zinc/80/88/21/1018808821.db2.gz IXEYYWHAJYIWSA-JTQLQIEISA-N -1 0 304.310 -0.094 20 0 DBADRM CNc1cnc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)OC)cn1 ZINC001606313508 1018808902 /nfs/dbraw/zinc/80/89/02/1018808902.db2.gz RUKCIKBUDXZJFN-WCBMZHEXSA-N -1 0 322.321 -0.003 20 0 DBADRM COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606321195 1018809195 /nfs/dbraw/zinc/80/91/95/1018809195.db2.gz CVZPOOPDFVTZNC-ZETCQYMHSA-N -1 0 309.278 -0.356 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)c1cccs1 ZINC001606324054 1018809229 /nfs/dbraw/zinc/80/92/29/1018809229.db2.gz PXCCIFPPQXFCIF-SSDOTTSWSA-N -1 0 314.319 -0.390 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NCc1nc(C(=O)[O-])co1 ZINC001606321583 1018809312 /nfs/dbraw/zinc/80/93/12/1018809312.db2.gz NUSBFRXEFCWIMG-ZCFIWIBFSA-N -1 0 306.296 -0.399 20 0 DBADRM COC(=O)[C@H](C)OC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)O[C@H](C)C(=O)[O-] ZINC001606321232 1018810136 /nfs/dbraw/zinc/81/01/36/1018810136.db2.gz DIRUTSNTNOLXNL-SYHAXYEDSA-N -1 0 302.279 -0.011 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)Cc1cn(C)nc1Cl ZINC001606323030 1018809552 /nfs/dbraw/zinc/80/95/52/1018809552.db2.gz FACXGEHYSUYROC-SSDOTTSWSA-N -1 0 303.702 -0.252 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001606316224 1018809935 /nfs/dbraw/zinc/80/99/35/1018809935.db2.gz XVOJOCCWLQODIK-LBPRGKRZSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC001606321688 1018810047 /nfs/dbraw/zinc/81/00/47/1018810047.db2.gz QSDNOBMKMCOATO-JXVAYASWSA-N -1 0 305.352 -0.032 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC001606324145 1018810203 /nfs/dbraw/zinc/81/02/03/1018810203.db2.gz URAJXOQHCYOGOC-SCZZXKLOSA-N -1 0 314.338 -0.186 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@H](CO)c2ccc(F)cc2)nn1 ZINC001606326871 1018810569 /nfs/dbraw/zinc/81/05/69/1018810569.db2.gz YVJIWRMMJSCJSU-LLVKDONJSA-N -1 0 308.269 -0.035 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606329887 1018810611 /nfs/dbraw/zinc/81/06/11/1018810611.db2.gz GFILANKQVKCQDT-YIZRAAEISA-N -1 0 301.295 -0.482 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCCCNC(=O)C2CCC2)nn1 ZINC001606330551 1018810666 /nfs/dbraw/zinc/81/06/66/1018810666.db2.gz JPVUJZFSMTXXND-UHFFFAOYSA-N -1 0 309.326 -0.601 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCCc3c(=O)[nH]cnc32)nn1 ZINC001606326509 1018811143 /nfs/dbraw/zinc/81/11/43/1018811143.db2.gz QIEYKRHHAOPXBU-UHFFFAOYSA-N -1 0 304.266 -0.549 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1CCC(OCC(N)=O)CC1 ZINC001606331084 1018811276 /nfs/dbraw/zinc/81/12/76/1018811276.db2.gz LTVIFJYAIPTXEF-SNVBAGLBSA-N -1 0 302.327 -0.641 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@@H](O)COc2ccccc2)nn1 ZINC001606325782 1018811315 /nfs/dbraw/zinc/81/13/15/1018811315.db2.gz GMNGKLHBASDLST-SNVBAGLBSA-N -1 0 320.305 -0.468 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CCc1cc(OC)no1 ZINC001606324926 1018811378 /nfs/dbraw/zinc/81/13/78/1018811378.db2.gz XLGMNCBZPUTBBT-QMMMGPOBSA-N -1 0 300.267 -0.252 20 0 DBADRM COC(=O)[C@H](CNS(=O)(=O)C[C@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC001606329159 1018811488 /nfs/dbraw/zinc/81/14/88/1018811488.db2.gz CDQSWBNJGDEEBR-LPEHRKFASA-N -1 0 323.367 -0.548 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@@H](N3CCC3)[C@H](F)C2)nn1 ZINC001606326550 1018811535 /nfs/dbraw/zinc/81/15/35/1018811535.db2.gz RZWWOOBXXJNAQT-MWLCHTKSSA-N -1 0 311.317 -0.379 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1nc2ncc(C)cn2n1 ZINC001606325620 1018811703 /nfs/dbraw/zinc/81/17/03/1018811703.db2.gz NHNNDSWPNFDMTG-SSDOTTSWSA-N -1 0 307.266 -0.821 20 0 DBADRM COC(=O)[C@@H](CCC1OCCO1)NC(=O)C1(C(=O)[O-])CC1 ZINC001606333928 1018812194 /nfs/dbraw/zinc/81/21/94/1018812194.db2.gz PDNJPTMDVFSWKZ-MRVPVSSYSA-N -1 0 301.295 -0.338 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NC[C@@H](O)C2CCC2)n1 ZINC001606341643 1018812338 /nfs/dbraw/zinc/81/23/38/1018812338.db2.gz XYBVNAJZBGHXLU-SECBINFHSA-N -1 0 310.310 -0.817 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccco2)n1 ZINC001606341364 1018812802 /nfs/dbraw/zinc/81/28/02/1018812802.db2.gz SILNGLFBXLQPLV-MRVPVSSYSA-N -1 0 322.277 -0.651 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CCC[C@@H](N2CCNC2=O)C1 ZINC001606334736 1018812840 /nfs/dbraw/zinc/81/28/40/1018812840.db2.gz ZNFMMOQLZMLQNM-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NC[C@@H]2CCCCO2)n1 ZINC001606341285 1018812899 /nfs/dbraw/zinc/81/28/99/1018812899.db2.gz QBQDJDCJNAEPSG-VIFPVBQESA-N -1 0 310.310 -0.409 20 0 DBADRM COC(=O)[C@@H](N)Cc1cn(Cc2nc(C(=O)[O-])cs2)nn1 ZINC001606332130 1018813142 /nfs/dbraw/zinc/81/31/42/1018813142.db2.gz BXWWQTCLAUMZBI-ZETCQYMHSA-N -1 0 311.323 -0.476 20 0 DBADRM COC(=O)[C@H](NC(=O)Cn1cc(C(=O)[O-])cn1)c1ccnn1C ZINC001606333617 1018813410 /nfs/dbraw/zinc/81/34/10/1018813410.db2.gz UUHGYIDYIOZSHR-LLVKDONJSA-N -1 0 321.293 -0.655 20 0 DBADRM O=C([O-])Cn1ccc(NCC(=O)NC(=O)NCC(F)(F)F)n1 ZINC001606350016 1018813973 /nfs/dbraw/zinc/81/39/73/1018813973.db2.gz FARCSXPHBBXDQR-UHFFFAOYSA-N -1 0 323.231 -0.232 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1 ZINC001606352049 1018814185 /nfs/dbraw/zinc/81/41/85/1018814185.db2.gz ROFYPOBTQGMZMW-YUMQZZPRSA-N -1 0 309.315 -0.234 20 0 DBADRM COC(=O)C1(NC(=O)[C@H]2CCC(=O)O2)CCC(C(=O)[O-])CC1 ZINC001606352252 1018814902 /nfs/dbraw/zinc/81/49/02/1018814902.db2.gz BDKMVJDPWDWNOL-ZYTOWTHASA-N -1 0 313.306 -0.005 20 0 DBADRM COC(=O)[C@@]1(O)CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001606356691 1018815731 /nfs/dbraw/zinc/81/57/31/1018815731.db2.gz HULYHIXUTOLQMH-GFCCVEGCSA-N -1 0 321.351 -0.819 20 0 DBADRM COC(=O)C12CCC(CC1)N2C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001606357351 1018815812 /nfs/dbraw/zinc/81/58/12/1018815812.db2.gz QAFOHVWOCGWQFX-UHFFFAOYSA-N -1 0 308.294 -0.327 20 0 DBADRM COC(=O)C1(NC(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)CC1 ZINC001606352720 1018815855 /nfs/dbraw/zinc/81/58/55/1018815855.db2.gz HJSIUAUVOLWMCC-UHFFFAOYSA-N -1 0 324.293 -0.964 20 0 DBADRM COC(=O)[C@@]1(OC)CC[N@H+](CCc2cn(CC(=O)[O-])nn2)C1 ZINC001606357951 1018815895 /nfs/dbraw/zinc/81/58/95/1018815895.db2.gz VZRBMKAANCKKPP-CYBMUJFWSA-N -1 0 312.326 -0.831 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)Nc2ccc(C(=O)[O-])cn2)C1 ZINC001606357794 1018816412 /nfs/dbraw/zinc/81/64/12/1018816412.db2.gz SRDCVBDAJUNPTA-CYBMUJFWSA-N -1 0 309.278 -0.079 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@H](CO)[C@H]2CCOC2)c1=O ZINC001606355312 1018816738 /nfs/dbraw/zinc/81/67/38/1018816738.db2.gz OSMBDGNOGCXLPU-GXSJLCMTSA-N -1 0 310.306 -0.940 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)C1COC1 ZINC001606375236 1018817348 /nfs/dbraw/zinc/81/73/48/1018817348.db2.gz LIPUFWDBFJOQGR-CBAPKCEASA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(=O)[nH]cn1 ZINC001606370654 1018817403 /nfs/dbraw/zinc/81/74/03/1018817403.db2.gz OHQWSZOMBCDZEJ-APPZFPTMSA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001606373415 1018817469 /nfs/dbraw/zinc/81/74/69/1018817469.db2.gz KIJKICXPBVRLNM-PSASIEDQSA-N -1 0 323.305 -0.741 20 0 DBADRM COC(=O)[C@@H]1CC(=O)N(CN2CCSC[C@H](C(=O)[O-])C2)C1 ZINC001606374334 1018818150 /nfs/dbraw/zinc/81/81/50/1018818150.db2.gz ZDDZZBPLDUBSIO-NXEZZACHSA-N -1 0 316.379 -0.285 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001606375265 1018818759 /nfs/dbraw/zinc/81/87/59/1018818759.db2.gz BDZVSQPRRINXCX-RCWTZXSCSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1CCN1CCOC1=O ZINC001606385297 1018819457 /nfs/dbraw/zinc/81/94/57/1018819457.db2.gz IARVJVYABRMEOO-UWVGGRQHSA-N -1 0 300.311 -0.223 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)NCCCCC(=O)[O-])C1 ZINC001606378857 1018819554 /nfs/dbraw/zinc/81/95/54/1018819554.db2.gz XFGLCGFLFIBSDN-VHSXEESVSA-N -1 0 302.327 -0.193 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001606376028 1018819677 /nfs/dbraw/zinc/81/96/77/1018819677.db2.gz VADFNRHBCXYFTE-ONGXEEELSA-N -1 0 322.317 -0.136 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=S)NCCN2CCOCC2)C1 ZINC001606382803 1018820000 /nfs/dbraw/zinc/82/00/00/1018820000.db2.gz XUZPXNOMSARBAV-LLVKDONJSA-N -1 0 301.412 -0.010 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C[C@H](O)CC(C)(C)O ZINC001606386281 1018820264 /nfs/dbraw/zinc/82/02/64/1018820264.db2.gz NIFDCLQZEVKKDF-MXWKQRLJSA-N -1 0 303.355 -0.154 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@H](CO)C1CCOCC1 ZINC001606387966 1018820874 /nfs/dbraw/zinc/82/08/74/1018820874.db2.gz BVRHPWJSVXCYJE-MNOVXSKESA-N -1 0 322.383 -0.843 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCO[C@H](C(F)F)C1 ZINC001606389024 1018821158 /nfs/dbraw/zinc/82/11/58/1018821158.db2.gz WQQJIJOBELUGJR-YUMQZZPRSA-N -1 0 314.310 -0.254 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(=O)n2C)C1 ZINC001606390909 1018821387 /nfs/dbraw/zinc/82/13/87/1018821387.db2.gz CTHZNTOJNMYVPK-KOLCDFICSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc[n+]([O-])cc1 ZINC001606385367 1018821515 /nfs/dbraw/zinc/82/15/15/1018821515.db2.gz ILNBHEYCOFITMP-WDEREUQCSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)C1CCC(NC(=O)[C@H]2CCC(=O)O2)(C(=O)[O-])CC1 ZINC001606396666 1018821909 /nfs/dbraw/zinc/82/19/09/1018821909.db2.gz MEOPITAPVABAFC-ZYTOWTHASA-N -1 0 313.306 -0.005 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(Cc2nnc3n2CCOC3)C1 ZINC001606394454 1018822252 /nfs/dbraw/zinc/82/22/52/1018822252.db2.gz NFILAZACPOSYAD-UWVGGRQHSA-N -1 0 324.337 -0.354 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N(C)[C@H](C)C(=O)[O-])C1=O ZINC001606404692 1018823899 /nfs/dbraw/zinc/82/38/99/1018823899.db2.gz PQNYVZJBOABGHQ-RKDXNWHRSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@@H]1C ZINC001606403062 1018825049 /nfs/dbraw/zinc/82/50/49/1018825049.db2.gz DRJXPWDYJCNFLI-ZYUZMQFOSA-N -1 0 312.322 -0.624 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@@H](C(=O)[O-])C1 ZINC001606402802 1018825274 /nfs/dbraw/zinc/82/52/74/1018825274.db2.gz BGSMIJIDWOKBMV-IVZWLZJFSA-N -1 0 312.322 -0.623 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1c1ccnc(-c2nnn[n-]2)n1 ZINC001606409457 1018825725 /nfs/dbraw/zinc/82/57/25/1018825725.db2.gz LXMFCLGRDGAAEK-WEDXCCLWSA-N -1 0 300.326 -0.253 20 0 DBADRM COC(=O)[C@@H]1CCN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC001606415006 1018828007 /nfs/dbraw/zinc/82/80/07/1018828007.db2.gz BGCAHLZVLNNCCE-YFKPBYRVSA-N -1 0 306.321 -0.223 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C2(O)CCSCC2)C[C@@H]1C(=O)[O-] ZINC001606415198 1018828030 /nfs/dbraw/zinc/82/80/30/1018828030.db2.gz COVQSDXHBIXOEW-DTWKUNHWSA-N -1 0 317.363 -0.423 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CC(C)=NO2)C[C@H]1C(=O)[O-] ZINC001606416486 1018829647 /nfs/dbraw/zinc/82/96/47/1018829647.db2.gz CCEZBROYURUPFL-OPRDCNLKSA-N -1 0 313.310 -0.334 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)/C=C/c2cn(C)cn2)C[C@H]1C(=O)[O-] ZINC001606415932 1018829651 /nfs/dbraw/zinc/82/96/51/1018829651.db2.gz KCQULEWLSCIZKH-YIZUVKHSSA-N -1 0 307.306 -0.235 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCCn2cccn2)C[C@@H]1C(=O)[O-] ZINC001606416441 1018830139 /nfs/dbraw/zinc/83/01/39/1018830139.db2.gz BOICXCAIXIBELC-QWRGUYRKSA-N -1 0 309.322 -0.005 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1C(=O)[O-] ZINC001606420632 1018831470 /nfs/dbraw/zinc/83/14/70/1018831470.db2.gz IHNZGGCKEQWNDU-BUNZCYNESA-N -1 0 324.333 -0.323 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1C(=O)[O-] ZINC001606420544 1018831553 /nfs/dbraw/zinc/83/15/53/1018831553.db2.gz IJPLKHXMABERMT-JGVFFNPUSA-N -1 0 309.278 -0.779 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2cc(=O)n(C)cn2)C[C@H]1C(=O)[O-] ZINC001606420345 1018831790 /nfs/dbraw/zinc/83/17/90/1018831790.db2.gz GUJBNEZGMWSRFP-SFYZADRCSA-N -1 0 324.293 -0.882 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2ocnc2C)C[C@H]1C(=O)[O-] ZINC001606424873 1018832362 /nfs/dbraw/zinc/83/23/62/1018832362.db2.gz YWFQSIKNVCQZBQ-BDAKNGLRSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cc(C=O)n(C)n2)C[C@H]1C(=O)[O-] ZINC001606424013 1018832372 /nfs/dbraw/zinc/83/23/72/1018832372.db2.gz ZHYBNRSNDWUKFR-RKDXNWHRSA-N -1 0 309.278 -0.822 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@H]1C(=O)[O-] ZINC001606423953 1018833433 /nfs/dbraw/zinc/83/34/33/1018833433.db2.gz XNFBJFCWPIHAOV-RNFRBKRXSA-N -1 0 319.277 -0.701 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2cc(C)no2)C[C@H]1C(=O)[O-] ZINC001606423361 1018833580 /nfs/dbraw/zinc/83/35/80/1018833580.db2.gz PXZOTUHJDJJNLE-NXEZZACHSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)Nc2ccccn2)C[C@@H]1C(=O)[O-] ZINC001606430128 1018834383 /nfs/dbraw/zinc/83/43/83/1018834383.db2.gz MLNUIFZHCYAZOC-VHSXEESVSA-N -1 0 307.306 -0.174 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccn3nccc3n2)C[C@H]1C(=O)[O-] ZINC001606427687 1018834784 /nfs/dbraw/zinc/83/47/84/1018834784.db2.gz ZNOXIWDNQJEWQE-RKDXNWHRSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cncc(OC)n2)C[C@H]1C(=O)[O-] ZINC001606426764 1018834872 /nfs/dbraw/zinc/83/48/72/1018834872.db2.gz SURBQASHFQOIMR-SFYZADRCSA-N -1 0 309.278 -0.569 20 0 DBADRM COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)C[C@H](C)CC(=O)[O-] ZINC001606430327 1018835652 /nfs/dbraw/zinc/83/56/52/1018835652.db2.gz ADDFHHPVUGCOBW-DTWKUNHWSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)[C@@H]1CN(c2cc(C)nc3ncnn32)C[C@H]1C(=O)[O-] ZINC001606433304 1018836703 /nfs/dbraw/zinc/83/67/03/1018836703.db2.gz VWHRGZCVQILWSU-RKDXNWHRSA-N -1 0 305.294 -0.257 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)C[C@H]1CCCOC1)C(=O)[O-] ZINC001606441887 1018837918 /nfs/dbraw/zinc/83/79/18/1018837918.db2.gz DSYDRGHCILHTJB-DTWKUNHWSA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H](C)N1CCSCC1)C(=O)[O-] ZINC001606439206 1018838287 /nfs/dbraw/zinc/83/82/87/1018838287.db2.gz UATRFPJXOSSRGT-IUCAKERBSA-N -1 0 304.368 -0.444 20 0 DBADRM COC(=O)C[C@@H](C)CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001606439601 1018838748 /nfs/dbraw/zinc/83/87/48/1018838748.db2.gz FSRHBPSNQFDJKU-DTWKUNHWSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)C[C@H](NC(=O)/C=C/CN1CCOCC1)C(=O)[O-] ZINC001606438187 1018839006 /nfs/dbraw/zinc/83/90/06/1018839006.db2.gz DRZRIBULCFEDMD-PBKGFPTLSA-N -1 0 300.311 -0.993 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H](C)N1CCSCC1)C(=O)[O-] ZINC001606439204 1018839074 /nfs/dbraw/zinc/83/90/74/1018839074.db2.gz UATRFPJXOSSRGT-BDAKNGLRSA-N -1 0 304.368 -0.444 20 0 DBADRM COC(=O)C[C@H](C)CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001606439427 1018839188 /nfs/dbraw/zinc/83/91/88/1018839188.db2.gz FAXSIFFWZFWFEY-MRVPVSSYSA-N -1 0 310.310 -0.051 20 0 DBADRM COC(=O)C[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606447571 1018839609 /nfs/dbraw/zinc/83/96/09/1018839609.db2.gz SLFYYUQECHDJOE-SSDOTTSWSA-N -1 0 317.323 -0.176 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1Cc1cncc(C(=O)[O-])c1 ZINC001606446544 1018839827 /nfs/dbraw/zinc/83/98/27/1018839827.db2.gz KSYVTNIUSWUERM-NSHDSACASA-N -1 0 307.306 -0.357 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001606443211 1018840567 /nfs/dbraw/zinc/84/05/67/1018840567.db2.gz OHFGHBZIFWHOMO-SECBINFHSA-N -1 0 311.294 -0.246 20 0 DBADRM COC(=O)C[C@@H]1COCCN1C(=O)CCSCC(=O)[O-] ZINC001606447375 1018841004 /nfs/dbraw/zinc/84/10/04/1018841004.db2.gz NUGNAUKHONVUKY-SECBINFHSA-N -1 0 305.352 -0.015 20 0 DBADRM COC(=O)C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001606443175 1018841011 /nfs/dbraw/zinc/84/10/11/1018841011.db2.gz MYHTWRBYICCLAC-LURJTMIESA-N -1 0 307.280 -0.820 20 0 DBADRM COC(=O)C[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606447572 1018841501 /nfs/dbraw/zinc/84/15/01/1018841501.db2.gz SLFYYUQECHDJOE-ZETCQYMHSA-N -1 0 317.323 -0.176 20 0 DBADRM COC(=O)C[C@@H]1CN(CN2C[C@H](C(=O)[O-])CC2=O)CCO1 ZINC001606447662 1018841618 /nfs/dbraw/zinc/84/16/18/1018841618.db2.gz WHMGKOHMVJQGCW-NXEZZACHSA-N -1 0 300.311 -0.859 20 0 DBADRM COC(=O)C[C@H]1CSCCN1[C@@H](C)C(=O)NCC(=O)[O-] ZINC001606447668 1018841652 /nfs/dbraw/zinc/84/16/52/1018841652.db2.gz WHYIXSDKKXDVLR-IUCAKERBSA-N -1 0 304.368 -0.444 20 0 DBADRM COC(=O)CCCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001606452778 1018841946 /nfs/dbraw/zinc/84/19/46/1018841946.db2.gz GBSVWNVPKYHGTC-UHFFFAOYSA-N -1 0 322.383 -0.039 20 0 DBADRM O=C([O-])[C@H]1CCCN(CN2CC3(CCOCC3)[C@H](O)C2=O)C1 ZINC001606449636 1018842054 /nfs/dbraw/zinc/84/20/54/1018842054.db2.gz XPELXVPPXBMBGL-NWDGAFQWSA-N -1 0 312.366 -0.260 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001606452947 1018842383 /nfs/dbraw/zinc/84/23/83/1018842383.db2.gz KFSMIVTUNOTMOH-CYBMUJFWSA-N -1 0 300.311 -0.621 20 0 DBADRM COC(=O)CC[C@@H](C(=O)[O-])N1CCN(C(=O)N(C)C)CC1 ZINC001606449022 1018842547 /nfs/dbraw/zinc/84/25/47/1018842547.db2.gz LVDHJVTUUOIRME-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM COC(=O)CN(C)C(=O)c1cccc(C(=O)N(C)CC(=O)[O-])n1 ZINC001606463928 1018843110 /nfs/dbraw/zinc/84/31/10/1018843110.db2.gz KHEHQLNTPKQWFM-UHFFFAOYSA-N -1 0 323.305 -0.517 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)C[C@H](OC)C1CC1)C(=O)[O-] ZINC001606459418 1018843366 /nfs/dbraw/zinc/84/33/66/1018843366.db2.gz BCPNQVYCBHUIHO-ZJUUUORDSA-N -1 0 323.367 -0.263 20 0 DBADRM COC(=O)CN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C1CCOCC1 ZINC001606462449 1018843457 /nfs/dbraw/zinc/84/34/57/1018843457.db2.gz MWEALQZPJQJUST-WDEREUQCSA-N -1 0 315.322 -0.201 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1C[C@@H]1CCCCO1)C2 ZINC001606458562 1018843492 /nfs/dbraw/zinc/84/34/92/1018843492.db2.gz FREWZHLHDSJNSV-UHIISALHSA-N -1 0 323.353 -0.220 20 0 DBADRM COC(=O)CN(C)CCNC(=O)CCc1ocnc1C(=O)[O-] ZINC001606464383 1018843614 /nfs/dbraw/zinc/84/36/14/1018843614.db2.gz YFMMOAHVZGVUMX-UHFFFAOYSA-N -1 0 313.310 -0.474 20 0 DBADRM COC(=O)CC[C@@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)O1 ZINC001606460510 1018843897 /nfs/dbraw/zinc/84/38/97/1018843897.db2.gz SBKJGKDUQLTZJK-LOKLDPHHSA-N -1 0 303.311 -0.563 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CCC[C@H](C(N)=O)C1)C(=O)[O-] ZINC001606458779 1018844209 /nfs/dbraw/zinc/84/42/09/1018844209.db2.gz RWGJQNOCFLTIST-LPEHRKFASA-N -1 0 314.338 -0.199 20 0 DBADRM COC(=O)CC[C@@H]1CC[C@H](C(=O)NC[C@H](O)CC(=O)[O-])O1 ZINC001606460011 1018844354 /nfs/dbraw/zinc/84/43/54/1018844354.db2.gz LUNHEGAUPVZTPY-KXUCPTDWSA-N -1 0 303.311 -0.561 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001606470901 1018845011 /nfs/dbraw/zinc/84/50/11/1018845011.db2.gz MVGSMOYKZWQATB-IHWYPQMZSA-N -1 0 310.262 -0.604 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccccc1C=O ZINC001606468482 1018845333 /nfs/dbraw/zinc/84/53/33/1018845333.db2.gz GBVYASLDWVUONZ-UHFFFAOYSA-N -1 0 315.303 -0.253 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccn(CC(F)F)n1 ZINC001606468265 1018845568 /nfs/dbraw/zinc/84/55/68/1018845568.db2.gz UVOPWOXNGNAQDC-UHFFFAOYSA-N -1 0 305.237 -0.152 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc(C(=O)OC)ccn1 ZINC001606468053 1018845589 /nfs/dbraw/zinc/84/55/89/1018845589.db2.gz JXGHFJUGSOOSQF-UHFFFAOYSA-N -1 0 310.262 -0.432 20 0 DBADRM COC(=O)COCC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001606470718 1018845657 /nfs/dbraw/zinc/84/56/57/1018845657.db2.gz DBHMRHZNRJDRKG-BDAKNGLRSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)CNC(=O)COC(=O)c1ccc(C(=O)[O-])s1 ZINC001606470776 1018845760 /nfs/dbraw/zinc/84/57/60/1018845760.db2.gz HDMSPVFALPJKJS-UHFFFAOYSA-N -1 0 301.276 -0.108 20 0 DBADRM COC(=O)COc1ccc(C(=O)N[C@@](C)(CO)C(=O)[O-])cc1 ZINC001606474055 1018846230 /nfs/dbraw/zinc/84/62/30/1018846230.db2.gz OAJLIHZJSJIIMC-AWEZNQCLSA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)C[C@@H](OC(=O)C[C@@H]1CCOC[C@@H]1OC)C(=O)[O-] ZINC001606476877 1018846300 /nfs/dbraw/zinc/84/63/00/1018846300.db2.gz OTPWPVJSJCHAEP-AEJSXWLSSA-N -1 0 304.295 -0.013 20 0 DBADRM COC(=O)C[C@@H](C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606474765 1018846495 /nfs/dbraw/zinc/84/64/95/1018846495.db2.gz PVLSCXXLDOOVJM-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC001606471711 1018846743 /nfs/dbraw/zinc/84/67/43/1018846743.db2.gz LROQJFZJGMTWPW-SECBINFHSA-N -1 0 309.322 -0.111 20 0 DBADRM COC(=O)Cc1cccc(NC(=O)NC[C@H](O)CC(=O)[O-])n1 ZINC001606480218 1018847066 /nfs/dbraw/zinc/84/70/66/1018847066.db2.gz VFCGEMNVWRBSLC-SECBINFHSA-N -1 0 311.294 -0.246 20 0 DBADRM COC(=O)C[C@@H](OC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-] ZINC001606476881 1018847152 /nfs/dbraw/zinc/84/71/52/1018847152.db2.gz OUPOJXXCVYFSFO-GMSGAONNSA-N -1 0 311.294 -0.521 20 0 DBADRM COC(=O)CN1CCN(C(=O)c2csc(C(=O)[O-])n2)CC1 ZINC001606471551 1018847265 /nfs/dbraw/zinc/84/72/65/1018847265.db2.gz JPMCQUOXDMCUAE-UHFFFAOYSA-N -1 0 313.335 -0.228 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001606496346 1018847814 /nfs/dbraw/zinc/84/78/14/1018847814.db2.gz XPLCZGLYECIXFG-CBAPKCEASA-N -1 0 304.299 -0.501 20 0 DBADRM COC(=O)Nc1ccccc1C(=O)NCC(=O)NCC(=O)[O-] ZINC001606500325 1018847895 /nfs/dbraw/zinc/84/78/95/1018847895.db2.gz ANDDFWBGEZITJM-UHFFFAOYSA-N -1 0 309.278 -0.205 20 0 DBADRM COC(=O)N[C@H](C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)C(C)C ZINC001606496009 1018848154 /nfs/dbraw/zinc/84/81/54/1018848154.db2.gz IXLPEMSLVGVSLK-GUBZILKMSA-N -1 0 302.327 -0.339 20 0 DBADRM COC(=O)NCC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001606493320 1018848350 /nfs/dbraw/zinc/84/83/50/1018848350.db2.gz BYMWAXDCDLCPCJ-VIFPVBQESA-N -1 0 323.309 -0.456 20 0 DBADRM COC(=O)NCC(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001606494216 1018848422 /nfs/dbraw/zinc/84/84/22/1018848422.db2.gz UTAQBLVFQLVCKG-UHFFFAOYSA-N -1 0 323.309 -0.821 20 0 DBADRM COC(=O)N1CC(N2C(=O)[C@@H]3CC[C@H](C(=O)[O-])CN3C2=O)C1 ZINC001606488294 1018848559 /nfs/dbraw/zinc/84/85/59/1018848559.db2.gz WJWDAZOSVRQLKP-CBAPKCEASA-N -1 0 311.294 -0.436 20 0 DBADRM COC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001606493669 1018848701 /nfs/dbraw/zinc/84/87/01/1018848701.db2.gz JSCMNEPXDJYNDN-KYZUINATSA-N -1 0 323.309 -0.410 20 0 DBADRM COC(=O)NC1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1 ZINC001606494357 1018848759 /nfs/dbraw/zinc/84/87/59/1018848759.db2.gz ZJNZTLQYOSTMDK-VHSXEESVSA-N -1 0 300.311 -0.034 20 0 DBADRM COC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)[O-] ZINC001606496215 1018848831 /nfs/dbraw/zinc/84/88/31/1018848831.db2.gz RFXTXSYGEGZMHP-QMMMGPOBSA-N -1 0 303.315 -0.926 20 0 DBADRM COC(=O)N[C@H]1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001606496011 1018848880 /nfs/dbraw/zinc/84/88/80/1018848880.db2.gz IXNIBXGBRWZGHA-VIFPVBQESA-N -1 0 323.305 -0.497 20 0 DBADRM COC(=O)N(C)CCCC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001606486409 1018848888 /nfs/dbraw/zinc/84/88/88/1018848888.db2.gz NUTBZBORUKDLKJ-UHFFFAOYSA-N -1 0 302.327 -0.097 20 0 DBADRM COC(=O)NCCCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001606494500 1018848908 /nfs/dbraw/zinc/84/89/08/1018848908.db2.gz BNQKDEDMPOLJNC-VIFPVBQESA-N -1 0 315.326 -0.686 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001606501766 1018849623 /nfs/dbraw/zinc/84/96/23/1018849623.db2.gz MHQFYPJMJKUWTC-SSDOTTSWSA-N -1 0 314.298 -0.470 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@H]1C1CC1 ZINC001606509597 1018849658 /nfs/dbraw/zinc/84/96/58/1018849658.db2.gz IHCQEJJXLNOHKT-VHSXEESVSA-N -1 0 322.321 -0.366 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)CN(C)[C@@H]1CCSC1 ZINC001606501935 1018849869 /nfs/dbraw/zinc/84/98/69/1018849869.db2.gz VKAGMCLYCHZFIS-RKDXNWHRSA-N -1 0 305.352 -0.017 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c[nH]nc1C ZINC001606505872 1018850323 /nfs/dbraw/zinc/85/03/23/1018850323.db2.gz LKSAJIGGICSYBE-SSDOTTSWSA-N -1 0 305.312 -0.597 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001606519262 1018850966 /nfs/dbraw/zinc/85/09/66/1018850966.db2.gz DCJPRISDMGIMQF-LPEHRKFASA-N -1 0 321.351 -0.557 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)Nc1cccc(-c2nn[nH]n2)n1 ZINC001606518703 1018850989 /nfs/dbraw/zinc/85/09/89/1018850989.db2.gz UIJKJTIWOYZDDQ-UHFFFAOYSA-N -1 0 315.293 -0.261 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C[C@@H](C)O1 ZINC001606510994 1018851080 /nfs/dbraw/zinc/85/10/80/1018851080.db2.gz JJQFVKKNOKJEEZ-HLTSFMKQSA-N -1 0 309.340 -0.701 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1 ZINC001606520291 1018851113 /nfs/dbraw/zinc/85/11/13/1018851113.db2.gz XORSHDVZVGFFRI-MAUMQABQSA-N -1 0 309.315 -0.235 20 0 DBADRM COC(=O)[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001606519396 1018851185 /nfs/dbraw/zinc/85/11/85/1018851185.db2.gz LXSNPFBQXQRWNT-KNVOCYPGSA-N -1 0 318.307 -0.055 20 0 DBADRM COC(=O)[C@H]1O[C@H](C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C[C@@H]1C ZINC001606519777 1018851275 /nfs/dbraw/zinc/85/12/75/1018851275.db2.gz NBQVUZPJUHRBGL-WYCDGMCDSA-N -1 0 303.286 -0.023 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)[O-])O1 ZINC001606510780 1018851428 /nfs/dbraw/zinc/85/14/28/1018851428.db2.gz WTEVIDQKSQIUOS-JIXVBMEVSA-N -1 0 315.322 -0.202 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])C1 ZINC001606520251 1018851514 /nfs/dbraw/zinc/85/15/14/1018851514.db2.gz WCXWJMWGGFJHIM-LPEHRKFASA-N -1 0 321.351 -0.557 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])C1 ZINC001606520151 1018851819 /nfs/dbraw/zinc/85/18/19/1018851819.db2.gz ZZKYSABKDHNDDX-YIZRAAEISA-N -1 0 301.295 -0.482 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCC[C@@H]2CCCS2(=O)=O)cn1 ZINC001606536325 1018852795 /nfs/dbraw/zinc/85/27/95/1018852795.db2.gz HBPFEAOAPAXJSA-QMMMGPOBSA-N -1 0 313.335 -0.128 20 0 DBADRM COC(=O)c1[nH]cc(C(=O)[O-])c1NC(=O)[C@@H](C)S(C)(=O)=O ZINC001606522827 1018853429 /nfs/dbraw/zinc/85/34/29/1018853429.db2.gz UQOLUGCSDKTMPH-RXMQYKEDSA-N -1 0 318.307 -0.129 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCC[C@H]2CCCS2(=O)=O)cn1 ZINC001606536323 1018853514 /nfs/dbraw/zinc/85/35/14/1018853514.db2.gz HBPFEAOAPAXJSA-MRVPVSSYSA-N -1 0 313.335 -0.128 20 0 DBADRM CC(C)C(=O)NC/C=C\CNC(=O)c1cnc([O-])n(C)c1=O ZINC001501694966 1018853699 /nfs/dbraw/zinc/85/36/99/1018853699.db2.gz HTTGKQHEUIIZGO-PLNGDYQASA-N -1 0 308.338 -0.456 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1ccc3[nH]c(=O)[nH]c3n1)C2 ZINC001606553512 1018854658 /nfs/dbraw/zinc/85/46/58/1018854658.db2.gz RDCTVWSRKJNXIE-WJWGPLDTSA-N -1 0 318.289 -0.163 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)N2CC3(C2)NC(=O)NC3=O)c1 ZINC001606568507 1018855127 /nfs/dbraw/zinc/85/51/27/1018855127.db2.gz BHJSMQIYFKAKGO-UHFFFAOYSA-N -1 0 318.289 -0.512 20 0 DBADRM O=C([O-])[C@H](C(=O)NCCCN1CCNC(=O)C1)C1CCCC1 ZINC001606563925 1018855144 /nfs/dbraw/zinc/85/51/44/1018855144.db2.gz MCWTXUUFQGVWIN-ZDUSSCGKSA-N -1 0 311.382 -0.185 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CC=CC1 ZINC001606569420 1018855858 /nfs/dbraw/zinc/85/58/58/1018855858.db2.gz JFWFXEUIKDNGFR-AWEZNQCLSA-N -1 0 307.306 -0.392 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)cs1 ZINC001606565438 1018855925 /nfs/dbraw/zinc/85/59/25/1018855925.db2.gz AWJHPMVOOCSMBF-UHFFFAOYSA-N -1 0 321.332 -0.645 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1)C1CCCC1 ZINC001606564378 1018856083 /nfs/dbraw/zinc/85/60/83/1018856083.db2.gz XGNQABVADSGEGJ-WZRBSPASSA-N -1 0 310.350 -0.007 20 0 DBADRM COC(=O)c1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)cn1 ZINC001606593051 1018856613 /nfs/dbraw/zinc/85/66/13/1018856613.db2.gz CFANBIMCQLVBFQ-UHFFFAOYSA-N -1 0 305.250 -0.203 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])cc1 ZINC001606572222 1018856730 /nfs/dbraw/zinc/85/67/30/1018856730.db2.gz KQJVMEHPUSXRQG-NSHDSACASA-N -1 0 320.301 -0.159 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])n1C ZINC001606571759 1018856956 /nfs/dbraw/zinc/85/69/56/1018856956.db2.gz AZYBSJNINNFBIT-QWRGUYRKSA-N -1 0 310.306 -0.138 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CC[C@](OC)(C(=O)[O-])C2)n1 ZINC001606571269 1018856964 /nfs/dbraw/zinc/85/69/64/1018856964.db2.gz BQFCHWZOWNPXFD-CYBMUJFWSA-N -1 0 311.294 -0.837 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)nc1)N1CC[C@@](F)(CO)C1 ZINC001606594185 1018857510 /nfs/dbraw/zinc/85/75/10/1018857510.db2.gz FMBCWHGSWLYLKJ-ZDUSSCGKSA-N -1 0 306.301 -0.263 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)nc1)N[C@@]1(CO)CCOC1 ZINC001606593988 1018857569 /nfs/dbraw/zinc/85/75/69/1018857569.db2.gz BOWCUPZTXNDXJV-CYBMUJFWSA-N -1 0 304.310 -0.928 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)OCc1ccncc1-c1nn[nH]n1 ZINC001606580361 1018857795 /nfs/dbraw/zinc/85/77/95/1018857795.db2.gz MRXSONQGEJTDNS-UHFFFAOYSA-N -1 0 323.334 -0.118 20 0 DBADRM COC(=O)c1cccc([C@H](C(=O)[O-])N2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC001606613507 1018858416 /nfs/dbraw/zinc/85/84/16/1018858416.db2.gz UPVYKBDVLSAUKU-GRYCIOLGSA-N -1 0 322.317 -0.481 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)nn1)N1CCOC[C@@H]1C1CC1 ZINC001606617497 1018858446 /nfs/dbraw/zinc/85/84/46/1018858446.db2.gz QEEMYBCACFRABT-SNVBAGLBSA-N -1 0 304.314 -0.904 20 0 DBADRM COC(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC001606608416 1018858771 /nfs/dbraw/zinc/85/87/71/1018858771.db2.gz JSNVHVPWEXFSIF-SNVBAGLBSA-N -1 0 321.289 -0.717 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC001606615239 1018858851 /nfs/dbraw/zinc/85/88/51/1018858851.db2.gz LQRPLMLGAWPEFH-UHFFFAOYSA-N -1 0 302.254 -0.492 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)nn1)N1CCOC[C@H]1C1CC1 ZINC001606617496 1018859195 /nfs/dbraw/zinc/85/91/95/1018859195.db2.gz QEEMYBCACFRABT-JTQLQIEISA-N -1 0 304.314 -0.904 20 0 DBADRM COC(=O)c1cccc(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)n1 ZINC001606608519 1018859248 /nfs/dbraw/zinc/85/92/48/1018859248.db2.gz PAMGCVVZAVAERX-SECBINFHSA-N -1 0 310.262 -0.386 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC1(c2ncon2)CCC1 ZINC001606620078 1018859612 /nfs/dbraw/zinc/85/96/12/1018859612.db2.gz ADNSZVUDKFXUEA-UHFFFAOYSA-N -1 0 316.285 -0.963 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1C[C@@H]1c1cccnc1 ZINC001606623258 1018860284 /nfs/dbraw/zinc/86/02/84/1018860284.db2.gz DAJURYOCJNIBDC-ZJUUUORDSA-N -1 0 311.309 -0.475 20 0 DBADRM COC(=O)c1ccn(CC(=O)N[C@@](C)(CCF)C(=O)[O-])n1 ZINC001606621547 1018860422 /nfs/dbraw/zinc/86/04/22/1018860422.db2.gz DMYCTPOUQBHRBJ-LBPRGKRZSA-N -1 0 301.274 -0.011 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@]2(C1)CCCOC2 ZINC001606620362 1018861036 /nfs/dbraw/zinc/86/10/36/1018861036.db2.gz KBYGHALELBBAND-CYBMUJFWSA-N -1 0 318.341 -0.513 20 0 DBADRM COC(=O)c1cn(CC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)nn1 ZINC001606622976 1018861057 /nfs/dbraw/zinc/86/10/57/1018861057.db2.gz LEOQUJVVFCCFLK-XPTSAGLGSA-N -1 0 322.321 -0.222 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC(CCO)CC1 ZINC001606621024 1018861130 /nfs/dbraw/zinc/86/11/30/1018861130.db2.gz YNNRIDDWRLAOCV-UHFFFAOYSA-N -1 0 306.330 -0.921 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NC(C)(C)CC(=O)[O-] ZINC001606624954 1018861163 /nfs/dbraw/zinc/86/11/63/1018861163.db2.gz FNJYAFBCWJEDKM-UHFFFAOYSA-N -1 0 305.312 -0.272 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@H]1c1ncc[nH]1 ZINC001606620840 1018861318 /nfs/dbraw/zinc/86/13/18/1018861318.db2.gz SBJVRGCILAIJGU-QMMMGPOBSA-N -1 0 314.313 -0.455 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NCCSCC(=O)[O-] ZINC001606626072 1018862162 /nfs/dbraw/zinc/86/21/62/1018862162.db2.gz QLBQWNUBCPQHIN-UHFFFAOYSA-N -1 0 323.352 -0.708 20 0 DBADRM COC(=O)c1conc1C(C)(C)NC(=O)COCC(=O)[O-] ZINC001606630419 1018862374 /nfs/dbraw/zinc/86/23/74/1018862374.db2.gz CSBWWSOXIIRJBV-UHFFFAOYSA-N -1 0 300.267 -0.086 20 0 DBADRM COC(=O)c1cn(CC(=O)Nc2ccc(C(=O)[O-])nc2)nn1 ZINC001606625511 1018862558 /nfs/dbraw/zinc/86/25/58/1018862558.db2.gz KZCUEUMMZLAEQU-UHFFFAOYSA-N -1 0 305.250 -0.203 20 0 DBADRM CO[C@H](C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])c1ccc(O)cc1 ZINC001606649389 1018863608 /nfs/dbraw/zinc/86/36/08/1018863608.db2.gz RZBUSFXSCMDSNP-YPMHNXCESA-N -1 0 322.317 -0.119 20 0 DBADRM CO[C@H](C)CC(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001606660248 1018863724 /nfs/dbraw/zinc/86/37/24/1018863724.db2.gz YXJDYHIDWISYAB-SECBINFHSA-N -1 0 307.368 -0.050 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1OC ZINC001606659142 1018863995 /nfs/dbraw/zinc/86/39/95/1018863995.db2.gz IBWVXELOMTXZJV-OPRDCNLKSA-N -1 0 324.337 -0.471 20 0 DBADRM CO[C@@H](C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])c1ccc(O)cc1 ZINC001606649388 1018864240 /nfs/dbraw/zinc/86/42/40/1018864240.db2.gz RZBUSFXSCMDSNP-WCQYABFASA-N -1 0 322.317 -0.119 20 0 DBADRM CO[C@@H](CNS(=O)(=O)C1(C(=O)[O-])CCC1)[C@H]1CCOC1 ZINC001606679239 1018865279 /nfs/dbraw/zinc/86/52/79/1018865279.db2.gz AYOPIOKLAIVAEW-UWVGGRQHSA-N -1 0 307.368 -0.035 20 0 DBADRM COC(CN(CCCO)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)OC ZINC001606674246 1018865380 /nfs/dbraw/zinc/86/53/80/1018865380.db2.gz GCHDNQSQALNNBB-CKYFFXLPSA-N -1 0 319.354 -0.306 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001606673446 1018865752 /nfs/dbraw/zinc/86/57/52/1018865752.db2.gz KTUSZQHYOAMLBC-DBIOUOCHSA-N -1 0 314.338 -0.867 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)CCN1CCOCC1)OC ZINC001606668498 1018866288 /nfs/dbraw/zinc/86/62/88/1018866288.db2.gz KLPRYFDUUDZVIQ-UHFFFAOYSA-N -1 0 318.370 -0.369 20 0 DBADRM COC1(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CS(=O)(=O)C1 ZINC001606690445 1018866623 /nfs/dbraw/zinc/86/66/23/1018866623.db2.gz PZVHBFMELJQOAA-DTWKUNHWSA-N -1 0 305.352 -0.440 20 0 DBADRM COC1(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)CS(=O)(=O)C1 ZINC001606690480 1018866643 /nfs/dbraw/zinc/86/66/43/1018866643.db2.gz ROSXXCNNMATHPW-OTCDBFHCSA-N -1 0 319.379 -0.050 20 0 DBADRM COC1(C(=O)N[C@@H](C(=O)[O-])c2cccnc2)CS(=O)(=O)C1 ZINC001606690574 1018867115 /nfs/dbraw/zinc/86/71/15/1018867115.db2.gz XPMQJCMYOJBWFS-SECBINFHSA-N -1 0 314.319 -0.863 20 0 DBADRM COC1(C(=O)N(C)C2(C(=O)[O-])CCCC2)CS(=O)(=O)C1 ZINC001606689381 1018867377 /nfs/dbraw/zinc/86/73/77/1018867377.db2.gz VKLVKOGRFKWLDT-UHFFFAOYSA-N -1 0 305.352 -0.344 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC001606690791 1018867418 /nfs/dbraw/zinc/86/74/18/1018867418.db2.gz DGGJVUNDPVXQOT-NZHONMPCSA-N -1 0 314.338 -0.629 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC[C@H](O)C(=O)[O-])C1CCCCC1 ZINC001606683338 1018867570 /nfs/dbraw/zinc/86/75/70/1018867570.db2.gz SBNFBPSGTKZMDC-QWRGUYRKSA-N -1 0 309.384 -0.053 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC001606683942 1018867655 /nfs/dbraw/zinc/86/76/55/1018867655.db2.gz ZRBVMRAVPANNPZ-VPOLOUISSA-N -1 0 323.367 -0.801 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@@H](CCF)C(=O)[O-])[C@H]1CCOC1 ZINC001606683557 1018867737 /nfs/dbraw/zinc/86/77/37/1018867737.db2.gz WCLVAFXNPFSXQG-LPEHRKFASA-N -1 0 313.347 -0.230 20 0 DBADRM CO[C@@]1(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])CCS(=O)(=O)C1 ZINC001606690429 1018867743 /nfs/dbraw/zinc/86/77/43/1018867743.db2.gz PEPKLLYUVBKCQM-MFKMUULPSA-N -1 0 319.379 -0.193 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)Cn2c(C)cc(O)cc2=O)C1 ZINC001606696856 1018868443 /nfs/dbraw/zinc/86/84/43/1018868443.db2.gz HVWLPSHHTQAUEB-CQSZACIVSA-N -1 0 310.306 -0.436 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC2(SC)CC2)C1 ZINC001606690915 1018868580 /nfs/dbraw/zinc/86/85/80/1018868580.db2.gz GPFZTVJBIJFEHL-ZDUSSCGKSA-N -1 0 316.379 -0.300 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCCCCS(C)(=O)=O)C1 ZINC001606699249 1018869589 /nfs/dbraw/zinc/86/95/89/1018869589.db2.gz RCARAMCVLZBBHV-GFCCVEGCSA-N -1 0 322.383 -0.304 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CCCCCNC(N)=O)C1 ZINC001606697433 1018869715 /nfs/dbraw/zinc/86/97/15/1018869715.db2.gz MZIUGXQRLNKRFQ-CYBMUJFWSA-N -1 0 301.343 -0.083 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(C(N)=O)n2)C1 ZINC001606700822 1018870011 /nfs/dbraw/zinc/87/00/11/1018870011.db2.gz WVDKTEALIIFFKN-ZDUSSCGKSA-N -1 0 308.294 -0.112 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCC[C@H]2CC(=O)N(C)C2)C1 ZINC001606698296 1018870045 /nfs/dbraw/zinc/87/00/45/1018870045.db2.gz HTAZMZMBAXRRQX-HZMBPMFUSA-N -1 0 313.354 -0.260 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccnc3c2nnn3C)C1 ZINC001606701029 1018870307 /nfs/dbraw/zinc/87/03/07/1018870307.db2.gz WCMIZZSOYZBVPF-CYBMUJFWSA-N -1 0 305.294 -0.321 20 0 DBADRM COC1([C@H](C)NC(=O)N2CC(O)(C(=O)[O-])C2)CCOCC1 ZINC001606708665 1018870962 /nfs/dbraw/zinc/87/09/62/1018870962.db2.gz MVPHJRONMXETDV-VIFPVBQESA-N -1 0 302.327 -0.589 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(Cn2nnc(-c3cscn3)n2)C1 ZINC001606705912 1018871349 /nfs/dbraw/zinc/87/13/49/1018871349.db2.gz HLERAKKZXNKMIT-LLVKDONJSA-N -1 0 310.339 -0.070 20 0 DBADRM CO[C@H]1C[C@H](Cn2nnnc2N2CC[C@](OC)(C(=O)[O-])C2)C1 ZINC001606706416 1018871719 /nfs/dbraw/zinc/87/17/19/1018871719.db2.gz LTVSRDYQEMLMCY-GIPNMCIBSA-N -1 0 311.342 -0.222 20 0 DBADRM COC1([C@H](C(=O)[O-])N(C)CC(=O)N2CCN(C)CC2)CCC1 ZINC001606708587 1018871884 /nfs/dbraw/zinc/87/18/84/1018871884.db2.gz OCYOOGFQUHZJSZ-ZDUSSCGKSA-N -1 0 313.398 -0.286 20 0 DBADRM CO[C@@]1(CO)CCCN(S(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001606719361 1018872686 /nfs/dbraw/zinc/87/26/86/1018872686.db2.gz AXLYIZBZDSOATD-LBPRGKRZSA-N -1 0 307.368 -0.346 20 0 DBADRM CO[C@@H]1CCC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001606740906 1018872701 /nfs/dbraw/zinc/87/27/01/1018872701.db2.gz FOJOZBRZHXCVJM-OUAUKWLOSA-N -1 0 319.379 -0.098 20 0 DBADRM CO[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)C1 ZINC001606732920 1018872739 /nfs/dbraw/zinc/87/27/39/1018872739.db2.gz MYWZKQXVWCVNMH-NXEZZACHSA-N -1 0 324.337 -0.102 20 0 DBADRM CO[C@]1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001606717596 1018873004 /nfs/dbraw/zinc/87/30/04/1018873004.db2.gz WFHUZFBOKIQEPA-SBMIAAHKSA-N -1 0 320.367 -0.648 20 0 DBADRM CO[C@@H]1CC[C@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001606732402 1018873148 /nfs/dbraw/zinc/87/31/48/1018873148.db2.gz CHFHPILNEZIUBJ-AATLWQCWSA-N -1 0 301.343 -0.169 20 0 DBADRM CO[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)C1 ZINC001606732922 1018873159 /nfs/dbraw/zinc/87/31/59/1018873159.db2.gz MYWZKQXVWCVNMH-VHSXEESVSA-N -1 0 324.337 -0.102 20 0 DBADRM COC1CC(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)C1 ZINC001606722125 1018873180 /nfs/dbraw/zinc/87/31/80/1018873180.db2.gz DLCSKRYVJNKPJX-CTQPKBKOSA-N -1 0 305.352 -0.585 20 0 DBADRM COC1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC001606749781 1018873883 /nfs/dbraw/zinc/87/38/83/1018873883.db2.gz ADWIPEFLODCNCG-IUCAKERBSA-N -1 0 301.343 -0.215 20 0 DBADRM CO[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)[C@@](C)(C(=O)[O-])C1 ZINC001606762864 1018874330 /nfs/dbraw/zinc/87/43/30/1018874330.db2.gz FYQJJZHRBKRUEO-ZUZCIYMTSA-N -1 0 321.333 -0.186 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)N=S(C)(C)=O)[C@H](C(=O)[O-])C1 ZINC001606762477 1018874418 /nfs/dbraw/zinc/87/44/18/1018874418.db2.gz ZLZYRQRFUBRFOC-SFYZADRCSA-N -1 0 314.385 -0.477 20 0 DBADRM COCC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CCOCC1 ZINC001606774542 1018875221 /nfs/dbraw/zinc/87/52/21/1018875221.db2.gz RTEDAMBDHURSIK-VHSXEESVSA-N -1 0 314.338 -0.865 20 0 DBADRM COCC(=O)NCCC(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001606774658 1018875272 /nfs/dbraw/zinc/87/52/72/1018875272.db2.gz VKYZARMYDUTLKJ-UHFFFAOYSA-N -1 0 315.351 -0.347 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001606771590 1018875341 /nfs/dbraw/zinc/87/53/41/1018875341.db2.gz JJCJKQFTUSGDOC-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001606780861 1018876313 /nfs/dbraw/zinc/87/63/13/1018876313.db2.gz OBOKTPSCFFZHTB-UHFFFAOYSA-N -1 0 318.341 -0.967 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)N1CCS(=O)(=O)CC1 ZINC001606781168 1018876355 /nfs/dbraw/zinc/87/63/55/1018876355.db2.gz CWAIKDJDSDZJQX-NSHDSACASA-N -1 0 308.356 -0.694 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CN1CCC(CO)CC1 ZINC001606779124 1018877135 /nfs/dbraw/zinc/87/71/35/1018877135.db2.gz CTLXXJZUSFYVRS-AWEZNQCLSA-N -1 0 302.371 -0.313 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001606780605 1018877157 /nfs/dbraw/zinc/87/71/57/1018877157.db2.gz JTYZJXBSAXVPKP-UHFFFAOYSA-N -1 0 311.309 -0.685 20 0 DBADRM COC[C@@H](C)CNC(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001606797173 1018877758 /nfs/dbraw/zinc/87/77/58/1018877758.db2.gz GSCOIQBPUBWQBL-ZANVPECISA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@@](C)(O)c1nnc(N2CC[C@](F)(C(=O)[O-])C2)n1C ZINC001606792310 1018877866 /nfs/dbraw/zinc/87/78/66/1018877866.db2.gz MVDSNMURNWTCFU-VXGBXAGGSA-N -1 0 302.306 -0.328 20 0 DBADRM COC[C@@](C)(NC(=O)CCC[C@@]1(C)NC(=O)NC1=O)C(=O)[O-] ZINC001606788091 1018878056 /nfs/dbraw/zinc/87/80/56/1018878056.db2.gz QZSDBDDZSQXREE-CHWSQXEVSA-N -1 0 315.326 -0.639 20 0 DBADRM COC[C@@](C)(O)c1nnc(N2CC[C@@](F)(C(=O)[O-])C2)n1C ZINC001606792307 1018878060 /nfs/dbraw/zinc/87/80/60/1018878060.db2.gz MVDSNMURNWTCFU-NEPJUHHUSA-N -1 0 302.306 -0.328 20 0 DBADRM COC[C@@H](C)C(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001606793167 1018878096 /nfs/dbraw/zinc/87/80/96/1018878096.db2.gz JNHXBJIJXOXJEV-SECBINFHSA-N -1 0 308.338 -0.060 20 0 DBADRM COC[C@@](C)(NC(=O)c1coc(S(C)(=O)=O)c1)C(=O)[O-] ZINC001606791316 1018878337 /nfs/dbraw/zinc/87/83/37/1018878337.db2.gz OUFFOBIOCAZTQW-LLVKDONJSA-N -1 0 305.308 -0.097 20 0 DBADRM O=C(NCCc1cnc(=O)[nH]c1)c1ccc(-c2nn[nH]n2)cn1 ZINC001606796030 1018878561 /nfs/dbraw/zinc/87/85/61/1018878561.db2.gz GNFFMFSMOKGRHR-UHFFFAOYSA-N -1 0 312.293 -0.270 20 0 DBADRM O=C(NCCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1COCCO1 ZINC001606793318 1018878652 /nfs/dbraw/zinc/87/86/52/1018878652.db2.gz IAALCUCPPLZGRK-LBPRGKRZSA-N -1 0 303.322 -0.059 20 0 DBADRM COC[C@H](C)[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001606793108 1018878878 /nfs/dbraw/zinc/87/88/78/1018878878.db2.gz IJSAOUSRLNCFRG-IVZWLZJFSA-N -1 0 307.368 -0.385 20 0 DBADRM CC(F)(F)CC(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001501821020 1018879112 /nfs/dbraw/zinc/87/91/12/1018879112.db2.gz APTZYAQEPUFHBT-MRVPVSSYSA-N -1 0 319.312 -0.127 20 0 DBADRM COC[C@@H](CS(=O)(=O)NCc1ccc(C(=O)[O-])cn1)OC ZINC001606804085 1018879592 /nfs/dbraw/zinc/87/95/92/1018879592.db2.gz AUPYAZJFZGOFNH-NSHDSACASA-N -1 0 318.351 -0.139 20 0 DBADRM COC[C@@H](CO)NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC001606804984 1018880277 /nfs/dbraw/zinc/88/02/77/1018880277.db2.gz RMCQUVYCDWEHMB-SECBINFHSA-N -1 0 312.322 -0.110 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CC[C@@H](CF)C1 ZINC001606801932 1018880337 /nfs/dbraw/zinc/88/03/37/1018880337.db2.gz DHQLENSVDFNMTH-QMMMGPOBSA-N -1 0 309.309 -0.541 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(CN2CCOCC2)o1)C(=O)[O-] ZINC001606813654 1018881160 /nfs/dbraw/zinc/88/11/60/1018881160.db2.gz WFUNTDSCNUSSCW-LLVKDONJSA-N -1 0 312.322 -0.059 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)C(=O)[O-] ZINC001606806383 1018881440 /nfs/dbraw/zinc/88/14/40/1018881440.db2.gz OYWSIBGABWNPMY-RNFRBKRXSA-N -1 0 312.244 -0.245 20 0 DBADRM COC[C@@H](NC(=O)c1cc(N2CCOCC2)ncn1)C(=O)[O-] ZINC001606813487 1018881896 /nfs/dbraw/zinc/88/18/96/1018881896.db2.gz OVZPNKQZVOOERP-SNVBAGLBSA-N -1 0 310.310 -0.857 20 0 DBADRM COC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)[O-] ZINC001606812635 1018882128 /nfs/dbraw/zinc/88/21/28/1018882128.db2.gz FOFOURFBPIWRAL-VIFPVBQESA-N -1 0 319.339 -0.906 20 0 DBADRM COCC[C@@H](NS(=O)(=O)C1CCC(C(=O)[O-])CC1)C(N)=O ZINC001606859911 1018889326 /nfs/dbraw/zinc/88/93/26/1018889326.db2.gz YPCNVGJKSGBTHU-UDNWOFFPSA-N -1 0 322.383 -0.560 20 0 DBADRM COC[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)OC ZINC001606816459 1018882827 /nfs/dbraw/zinc/88/28/27/1018882827.db2.gz XDUJXJUYWKLXFH-QMMMGPOBSA-N -1 0 306.296 -0.821 20 0 DBADRM COC[C@H](OC)C(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001606822032 1018883118 /nfs/dbraw/zinc/88/31/18/1018883118.db2.gz GXUUKGPIPSZDDC-BBBLOLIVSA-N -1 0 303.311 -0.487 20 0 DBADRM COCC1(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)CC1 ZINC001606821708 1018883613 /nfs/dbraw/zinc/88/36/13/1018883613.db2.gz JOQWKMXHNSQSSY-NXEZZACHSA-N -1 0 310.350 -0.101 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001606828282 1018884104 /nfs/dbraw/zinc/88/41/04/1018884104.db2.gz RCWGAZVNFGXXRH-ZDUSSCGKSA-N -1 0 312.326 -0.936 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CCCCNC(N)=O ZINC001606829716 1018884974 /nfs/dbraw/zinc/88/49/74/1018884974.db2.gz VQEBQCFPHQYYSK-CYBMUJFWSA-N -1 0 301.343 -0.083 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1=O ZINC001606836337 1018885646 /nfs/dbraw/zinc/88/56/46/1018885646.db2.gz CFLJSQZDIPTJSS-TVQRCGJNSA-N -1 0 315.326 -0.831 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001606844614 1018885690 /nfs/dbraw/zinc/88/56/90/1018885690.db2.gz MLYSUVLCGLKGKO-UHFFFAOYSA-N -1 0 302.258 -0.593 20 0 DBADRM COCC1(C)CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC001606837532 1018885967 /nfs/dbraw/zinc/88/59/67/1018885967.db2.gz RWKWTDMXQOBMRI-UHFFFAOYSA-N -1 0 303.340 -0.375 20 0 DBADRM COCC1(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])CC1 ZINC001606842848 1018886378 /nfs/dbraw/zinc/88/63/78/1018886378.db2.gz UARXCZPVAVVZPV-SECBINFHSA-N -1 0 320.367 -0.840 20 0 DBADRM COCCOCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001606900093 1018893880 /nfs/dbraw/zinc/89/38/80/1018893880.db2.gz CJUBNIMZMSWDJX-NXEZZACHSA-N -1 0 303.311 -0.486 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])no2)C[C@H](C)O1 ZINC001606848162 1018887622 /nfs/dbraw/zinc/88/76/22/1018887622.db2.gz MHJURMWODIIBLM-JGVFFNPUSA-N -1 0 320.323 -0.203 20 0 DBADRM COCCC(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001606851260 1018887734 /nfs/dbraw/zinc/88/77/34/1018887734.db2.gz NAZHTXAKGRQMGG-VHSXEESVSA-N -1 0 324.337 -0.733 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCO1 ZINC001606847435 1018887944 /nfs/dbraw/zinc/88/79/44/1018887944.db2.gz BIQORRZUZXRSNF-QMMMGPOBSA-N -1 0 319.339 -0.548 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001606852645 1018888018 /nfs/dbraw/zinc/88/80/18/1018888018.db2.gz PTIAGGGNWGOCEP-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM COCC[C@@H](C)CNC(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001606852714 1018888143 /nfs/dbraw/zinc/88/81/43/1018888143.db2.gz ROCBDAURRVCNCM-YGRLFVJLSA-N -1 0 316.354 -0.523 20 0 DBADRM COCC[C@H](CO)NS(=O)(=O)c1csnc1C(=O)[O-] ZINC001606855333 1018888175 /nfs/dbraw/zinc/88/81/75/1018888175.db2.gz GEYKHLMOACHICU-ZCFIWIBFSA-N -1 0 310.353 -0.483 20 0 DBADRM COCCC(=O)NC[C@H](Nc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001606851120 1018888326 /nfs/dbraw/zinc/88/83/26/1018888326.db2.gz DPZARPKUMJCMQU-JTQLQIEISA-N -1 0 308.338 -0.060 20 0 DBADRM COCC[C@H](NC(=O)c1nnn(-c2ccn(C)n2)c1C)C(=O)[O-] ZINC001606858810 1018888677 /nfs/dbraw/zinc/88/86/77/1018888677.db2.gz DBRYBJKZCYGNKK-VIFPVBQESA-N -1 0 322.325 -0.471 20 0 DBADRM COCC[C@@H](NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC001606855417 1018888842 /nfs/dbraw/zinc/88/88/42/1018888842.db2.gz VRMUCCMNJPGVGJ-NXEZZACHSA-N -1 0 319.379 -0.193 20 0 DBADRM COCC[C@H](NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)[O-] ZINC001606857797 1018889004 /nfs/dbraw/zinc/88/90/04/1018889004.db2.gz DULBUJTXKCFLFK-NSHDSACASA-N -1 0 310.306 -0.272 20 0 DBADRM COCC[C@@H](NC(=O)c1cn(C2CCOCC2)nn1)C(=O)[O-] ZINC001606858937 1018889357 /nfs/dbraw/zinc/88/93/57/1018889357.db2.gz FUOYSIPCTIJZHM-SNVBAGLBSA-N -1 0 312.326 -0.151 20 0 DBADRM COCCC1(CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])CCC1 ZINC001606862327 1018889608 /nfs/dbraw/zinc/88/96/08/1018889608.db2.gz OFLQPJFUYWKCFI-VIFPVBQESA-N -1 0 304.318 -0.152 20 0 DBADRM COCCCS(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001606878917 1018890475 /nfs/dbraw/zinc/89/04/75/1018890475.db2.gz WDHOAIWFMLGXBI-NXEZZACHSA-N -1 0 323.367 -0.309 20 0 DBADRM COCCCN(CCO)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001606869396 1018891075 /nfs/dbraw/zinc/89/10/75/1018891075.db2.gz DKBQHLNUNWQHAF-UHFFFAOYSA-N -1 0 315.330 -0.983 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@H](C)n1cnc2c1ncnc2N ZINC001606881294 1018892001 /nfs/dbraw/zinc/89/20/01/1018892001.db2.gz QCDGWZUXJVAGQW-QMMMGPOBSA-N -1 0 322.325 -0.471 20 0 DBADRM COCCN(CC(=O)Nc1cccc(C(=O)[O-])n1)[C@@H](C)C(N)=O ZINC001606881515 1018892111 /nfs/dbraw/zinc/89/21/11/1018892111.db2.gz ZVOWBDRQDKIXLR-VIFPVBQESA-N -1 0 324.337 -0.460 20 0 DBADRM COCCN1CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1=O ZINC001606894776 1018892230 /nfs/dbraw/zinc/89/22/30/1018892230.db2.gz HRSUDHXNSZUPPV-ZJUUUORDSA-N -1 0 320.367 -0.682 20 0 DBADRM COCCN1C[C@H](C(=O)NC[C@@]2(C(=O)[O-])CCOC2)CC1=O ZINC001606893455 1018892556 /nfs/dbraw/zinc/89/25/56/1018892556.db2.gz MKWXWGBKBIATES-YGRLFVJLSA-N -1 0 314.338 -0.911 20 0 DBADRM COCCN1C[C@@H](C(=O)N(OC)[C@H](C)CC(=O)[O-])CC1=O ZINC001606893861 1018892594 /nfs/dbraw/zinc/89/25/94/1018892594.db2.gz XNXQTEXAMHNARI-ZJUUUORDSA-N -1 0 302.327 -0.266 20 0 DBADRM COCCOC[C@@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606903394 1018893384 /nfs/dbraw/zinc/89/33/84/1018893384.db2.gz JTZCWWSEPYLEFI-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM COCCOC1CN(C(=O)C(=O)NCC(C)(C)CC(=O)[O-])C1 ZINC001606901219 1018893605 /nfs/dbraw/zinc/89/36/05/1018893605.db2.gz UMKQHUFLVRPIAN-UHFFFAOYSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCOC[C@@H](C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606903393 1018893651 /nfs/dbraw/zinc/89/36/51/1018893651.db2.gz JTZCWWSEPYLEFI-GHMZBOCLSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCNC(=O)Cn1cc(Nc2ncncc2C(=O)[O-])cn1 ZINC001606896262 1018894146 /nfs/dbraw/zinc/89/41/46/1018894146.db2.gz ZVJULBOBZGNRNK-UHFFFAOYSA-N -1 0 320.309 -0.123 20 0 DBADRM COCCOC[C@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606903395 1018894262 /nfs/dbraw/zinc/89/42/62/1018894262.db2.gz JTZCWWSEPYLEFI-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCOCC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001606901247 1018894337 /nfs/dbraw/zinc/89/43/37/1018894337.db2.gz VOARGVIPCSMXSM-MNOVXSKESA-N -1 0 314.338 -0.961 20 0 DBADRM COCCOCCN(CCO)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001606904908 1018895352 /nfs/dbraw/zinc/89/53/52/1018895352.db2.gz XAEPQLRUOBMEQZ-UHFFFAOYSA-N -1 0 312.322 -0.123 20 0 DBADRM COCCONC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606906723 1018895563 /nfs/dbraw/zinc/89/55/63/1018895563.db2.gz GGCZKNNODWHEMT-SECBINFHSA-N -1 0 313.314 -0.099 20 0 DBADRM COCCOCCc1ncc(C(=O)N[C@](C)(CO)C(=O)[O-])[nH]1 ZINC001606906363 1018895609 /nfs/dbraw/zinc/89/56/09/1018895609.db2.gz FDDODUSOBWOZLB-CYBMUJFWSA-N -1 0 315.326 -0.819 20 0 DBADRM COCCONC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606906724 1018895634 /nfs/dbraw/zinc/89/56/34/1018895634.db2.gz GGCZKNNODWHEMT-VIFPVBQESA-N -1 0 313.314 -0.099 20 0 DBADRM COCCn1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c(C)n1 ZINC001606929544 1018896478 /nfs/dbraw/zinc/89/64/78/1018896478.db2.gz SBPHXUHCXBLZRW-NSHDSACASA-N -1 0 324.337 -0.747 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001606937372 1018896502 /nfs/dbraw/zinc/89/65/02/1018896502.db2.gz UFSMYLBAOQCCCN-VHSXEESVSA-N -1 0 310.306 -0.845 20 0 DBADRM COCCn1cc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)ccc1=O ZINC001606929348 1018896529 /nfs/dbraw/zinc/89/65/29/1018896529.db2.gz OLHOMBMHOSZIQA-PJXYFTJBSA-N -1 0 306.318 -0.103 20 0 DBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001606936764 1018896594 /nfs/dbraw/zinc/89/65/94/1018896594.db2.gz CIPRBCDBRKUKGW-KXUCPTDWSA-N -1 0 322.383 -0.608 20 0 DBADRM COCCn1ccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)n1 ZINC001606932470 1018896686 /nfs/dbraw/zinc/89/66/86/1018896686.db2.gz AYCYPZAGRYOZBY-ZJUUUORDSA-N -1 0 312.326 -0.171 20 0 DBADRM COCCn1nnnc1N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001606933534 1018897210 /nfs/dbraw/zinc/89/72/10/1018897210.db2.gz LEDAWHIIQZYYFV-UHFFFAOYSA-N -1 0 304.310 -0.025 20 0 DBADRM COCCn1cc(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cn1 ZINC001606931495 1018897241 /nfs/dbraw/zinc/89/72/41/1018897241.db2.gz MTVPTXPXJCRKGR-PHIMTYICSA-N -1 0 317.367 -0.188 20 0 DBADRM COCCn1cc(C(=O)N2C[C@H](OC)C[C@@]2(C)C(=O)[O-])nn1 ZINC001606929556 1018897283 /nfs/dbraw/zinc/89/72/83/1018897283.db2.gz SJCAWDUWJIUAAJ-RNCFNFMXSA-N -1 0 312.326 -0.371 20 0 DBADRM COCCn1c([C@@H](C)O)nnc1N1CCO[C@H](CC(=O)[O-])C1 ZINC001606929101 1018897538 /nfs/dbraw/zinc/89/75/38/1018897538.db2.gz GCFOXNXKMREZEE-NXEZZACHSA-N -1 0 314.342 -0.342 20 0 DBADRM COCc1cc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)no1 ZINC001606940006 1018898152 /nfs/dbraw/zinc/89/81/52/1018898152.db2.gz VUIXKXXZURJKAO-IUCAKERBSA-N -1 0 312.278 -0.233 20 0 DBADRM COCc1cc(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)ncn1 ZINC001606941619 1018898163 /nfs/dbraw/zinc/89/81/63/1018898163.db2.gz LMSQAXIOCODUKB-RYUDHWBXSA-N -1 0 320.349 -0.008 20 0 DBADRM COCc1ccc(CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])cc1 ZINC001606959530 1018898473 /nfs/dbraw/zinc/89/84/73/1018898473.db2.gz LMUNNXCSPMUONU-NSHDSACASA-N -1 0 312.297 -0.012 20 0 DBADRM O=C([O-])[C@@H]1COCCN1c1cc(-c2nn[nH]n2)nc(C2CC2)n1 ZINC001606961463 1018899095 /nfs/dbraw/zinc/89/90/95/1018899095.db2.gz RUXDUZVPOULUIC-VIFPVBQESA-N -1 0 317.309 -0.176 20 0 DBADRM CC(C)(C)C(=O)NC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001501950900 1018900578 /nfs/dbraw/zinc/90/05/78/1018900578.db2.gz TYPIJQNLTMTQBL-PLNGDYQASA-N -1 0 311.342 -0.476 20 0 DBADRM COCc1nc(-c2nnc(N3CC[C@H](C(=O)[O-])C3)n2C)no1 ZINC001606970606 1018901092 /nfs/dbraw/zinc/90/10/92/1018901092.db2.gz FQYSUADHQLJHDS-ZETCQYMHSA-N -1 0 308.298 -0.078 20 0 DBADRM COCc1nccc(NC(=O)C(=O)N[C@@H](CC(=O)[O-])C2CC2)n1 ZINC001606980894 1018901192 /nfs/dbraw/zinc/90/11/92/1018901192.db2.gz VBOIFVGTMAUWHK-VIFPVBQESA-N -1 0 322.321 -0.069 20 0 DBADRM CON(C)C(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001606989942 1018901857 /nfs/dbraw/zinc/90/18/57/1018901857.db2.gz IUQYXHUCAGKUSC-SSDOTTSWSA-N -1 0 319.339 -0.590 20 0 DBADRM CON(C)CCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001606990018 1018902248 /nfs/dbraw/zinc/90/22/48/1018902248.db2.gz YSKDDCXTYRVDNE-UHFFFAOYSA-N -1 0 309.322 -0.138 20 0 DBADRM COCc1nc(NC(=O)[C@@H]2CN(C)C(=O)N2)sc1C(=O)[O-] ZINC001606976545 1018902705 /nfs/dbraw/zinc/90/27/05/1018902705.db2.gz QSZSTXPYMBEALX-YFKPBYRVSA-N -1 0 314.323 -0.050 20 0 DBADRM CON1CCC(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1 ZINC001606994888 1018903691 /nfs/dbraw/zinc/90/36/91/1018903691.db2.gz WIHBAQUNSRVOPC-MWLCHTKSSA-N -1 0 301.343 -0.511 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001606999657 1018904068 /nfs/dbraw/zinc/90/40/68/1018904068.db2.gz BFNANQTXVTWDAF-BREBYQMCSA-N -1 0 313.310 -0.585 20 0 DBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001607000268 1018904812 /nfs/dbraw/zinc/90/48/12/1018904812.db2.gz YFCPHITUTNTQRM-ZDCRXTMVSA-N -1 0 307.368 -0.037 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001606999361 1018905052 /nfs/dbraw/zinc/90/50/52/1018905052.db2.gz SKNAUAIBXQSYFJ-MWLCHTKSSA-N -1 0 318.351 -0.195 20 0 DBADRM CON1CCC(NC(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])CC1 ZINC001606994762 1018905911 /nfs/dbraw/zinc/90/59/11/1018905911.db2.gz SVIMIUOZRHIFJV-ONGXEEELSA-N -1 0 301.343 -0.199 20 0 DBADRM CO[C@@H]1CCC[C@@H]1S(=O)(=O)NCCC(=O)NCCC(=O)[O-] ZINC001606999992 1018906488 /nfs/dbraw/zinc/90/64/88/1018906488.db2.gz NBABZSITXRYBJX-ZJUUUORDSA-N -1 0 322.383 -0.546 20 0 DBADRM COc1c2cnn(C)c2ncc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001607007322 1018907685 /nfs/dbraw/zinc/90/76/85/1018907685.db2.gz XELQYGKJUZFSIU-JTQLQIEISA-N -1 0 320.305 -0.098 20 0 DBADRM COc1c(C)[nH]cc(CN(C)[C@H](C)C(=O)NCC(=O)[O-])c1=O ZINC001607012286 1018912442 /nfs/dbraw/zinc/91/24/42/1018912442.db2.gz RRUDNXKDFRRLQX-SECBINFHSA-N -1 0 311.338 -0.287 20 0 DBADRM COc1c(F)cccc1S(=O)(=O)N[C@](C)(CO)C(=O)[O-] ZINC001607024443 1018912660 /nfs/dbraw/zinc/91/26/60/1018912660.db2.gz IGOMSYWYKFWYBS-LLVKDONJSA-N -1 0 307.299 -0.052 20 0 DBADRM O=c1c(-c2nnn[n-]2)cccn1CN1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC001607040397 1018920282 /nfs/dbraw/zinc/92/02/82/1018920282.db2.gz WAUPZFABPILJJM-ZJUUUORDSA-N -1 0 315.337 -0.661 20 0 DBADRM COc1c[nH]c(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])cc1=O ZINC001607051000 1018922141 /nfs/dbraw/zinc/92/21/41/1018922141.db2.gz TUHXEUDFKSZYNG-QMMMGPOBSA-N -1 0 312.278 -0.671 20 0 DBADRM O=S(=O)(NCCN1CC=CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001607066074 1018936182 /nfs/dbraw/zinc/93/61/82/1018936182.db2.gz NERXPISUAOHSBZ-UHFFFAOYSA-N -1 0 310.339 -0.390 20 0 DBADRM O=S(=O)(NCC1COC1)c1ccsc1-c1nnn[n-]1 ZINC001607064140 1018939335 /nfs/dbraw/zinc/93/93/35/1018939335.db2.gz SVLWWOTXOWQTBD-UHFFFAOYSA-N -1 0 301.353 -0.147 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1CC2(C1)CCOC2 ZINC001607073244 1018944080 /nfs/dbraw/zinc/94/40/80/1018944080.db2.gz ARJUDQFCLRMEEO-UHFFFAOYSA-N -1 0 322.350 -0.327 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1CC(O)(C2CC2)C1 ZINC001607072046 1018946122 /nfs/dbraw/zinc/94/61/22/1018946122.db2.gz YYVGQHNQWGNYHC-UHFFFAOYSA-N -1 0 311.323 -0.395 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cc(Br)nn1C)C(=O)[O-] ZINC001607424788 1019007737 /nfs/dbraw/zinc/00/77/37/1019007737.db2.gz LWJCPGOBAMDBIP-FBCQKBJTSA-N -1 0 306.116 -0.254 20 0 DBADRM COc1cc(C(=O)N[C@@H](C)CNc2ccnc(C(=O)[O-])n2)on1 ZINC001607085234 1018949985 /nfs/dbraw/zinc/94/99/85/1018949985.db2.gz UZYFOUMHLVGNHE-ZETCQYMHSA-N -1 0 321.293 -0.176 20 0 DBADRM O=c1c2ccccc2c(-c2nnn[n-]2)cn1CCn1cnnn1 ZINC001607090422 1018956187 /nfs/dbraw/zinc/95/61/87/1018956187.db2.gz QETCSEDOEBSYIO-UHFFFAOYSA-N -1 0 309.293 -0.132 20 0 DBADRM O=c1c(-c2nnn[n-]2)cn(CCO)c(=O)n1CC1CCCC1 ZINC001607091451 1018957099 /nfs/dbraw/zinc/95/70/99/1018957099.db2.gz GFOMBLUMICTQNY-UHFFFAOYSA-N -1 0 306.326 -0.627 20 0 DBADRM O=c1c(-c2nnn[n-]2)c2c(cn1C[C@H]1COCCO1)CCC2 ZINC001607089388 1018960016 /nfs/dbraw/zinc/96/00/16/1018960016.db2.gz RQWORGVWQJCSMD-JTQLQIEISA-N -1 0 303.322 -0.068 20 0 DBADRM COc1cc(C(=O)[O-])ccc1CCNC(=S)NCC(N)=O ZINC001607120698 1018974912 /nfs/dbraw/zinc/97/49/12/1018974912.db2.gz GUXHVGYKBYTYRD-UHFFFAOYSA-N -1 0 311.363 -0.115 20 0 DBADRM c1cnn(-c2cncc(NCCn3cnc(-c4nnn[n-]4)n3)n2)c1 ZINC001607135474 1018978369 /nfs/dbraw/zinc/97/83/69/1018978369.db2.gz FEXYTXAPSOCPST-UHFFFAOYSA-N -1 0 324.312 -0.454 20 0 DBADRM COc1cc(F)c(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)cc1F ZINC001607169652 1018979784 /nfs/dbraw/zinc/97/97/84/1018979784.db2.gz PVEWJUVTPOZCRD-UHFFFAOYSA-N -1 0 323.273 -0.207 20 0 DBADRM COc1cc(OC(=O)c2cn(CC(N)=O)nn2)ccc1C(=O)[O-] ZINC001607181637 1018980574 /nfs/dbraw/zinc/98/05/74/1018980574.db2.gz GZPSTBUUENBHBZ-UHFFFAOYSA-N -1 0 320.261 -0.311 20 0 DBADRM COc1cc(NC(=O)C(=O)NCCNC(C)=O)ccc1C(=O)[O-] ZINC001607174103 1018980605 /nfs/dbraw/zinc/98/06/05/1018980605.db2.gz XKLWSUMAVDHEDS-UHFFFAOYSA-N -1 0 323.305 -0.416 20 0 DBADRM COc1cc(CC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])ccn1 ZINC001607154464 1018981015 /nfs/dbraw/zinc/98/10/15/1018981015.db2.gz HLJUFXGYNWPCIL-NSHDSACASA-N -1 0 321.333 -0.176 20 0 DBADRM COc1cc(OC)cc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])c1 ZINC001607186091 1018981391 /nfs/dbraw/zinc/98/13/91/1018981391.db2.gz DEAYGFSMJBCEEO-GFCCVEGCSA-N -1 0 319.335 -0.182 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)ncn1 ZINC001607170815 1018981689 /nfs/dbraw/zinc/98/16/89/1018981689.db2.gz HMNYFQGVQKCCDK-CYBMUJFWSA-N -1 0 324.293 -0.874 20 0 DBADRM CS(=O)(=O)CCCCNC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001607368811 1018993703 /nfs/dbraw/zinc/99/37/03/1018993703.db2.gz QLXKTPCDHMLOTM-UHFFFAOYSA-N -1 0 303.340 -0.478 20 0 DBADRM COc1cccc(C(=O)NCC(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001607304672 1018983293 /nfs/dbraw/zinc/98/32/93/1018983293.db2.gz JHBBRRSMJOQCOU-UHFFFAOYSA-N -1 0 308.290 -0.917 20 0 DBADRM COc1ccc(CN2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001607253592 1018984323 /nfs/dbraw/zinc/98/43/23/1018984323.db2.gz VVSKGDWGLHAJGL-MNOVXSKESA-N -1 0 306.322 -0.494 20 0 DBADRM COc1cnc([C@@H]2CCC[N@@H+]2CCC(=O)NCC(=O)[O-])[n-]c1=O ZINC001607353928 1018986765 /nfs/dbraw/zinc/98/67/65/1018986765.db2.gz DMTIKYWGPIEOQQ-VIFPVBQESA-N -1 0 324.337 -0.081 20 0 DBADRM COc1coc(CN2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cc1=O ZINC001607354919 1018987140 /nfs/dbraw/zinc/98/71/40/1018987140.db2.gz HAJKJKAMVUPHEK-WDEREUQCSA-N -1 0 322.317 -0.331 20 0 DBADRM COc1cn(C)nc1[C@H](C)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001607352129 1018987469 /nfs/dbraw/zinc/98/74/69/1018987469.db2.gz AORFSIYEPIRPOF-QMMMGPOBSA-N -1 0 320.371 -0.269 20 0 DBADRM COc1cccn2c(=O)n(CN3C[C@H](C)O[C@H](C(=O)[O-])C3)nc12 ZINC001607349935 1018987938 /nfs/dbraw/zinc/98/79/38/1018987938.db2.gz WCKBBNWWEHIDDQ-ONGXEEELSA-N -1 0 322.321 -0.364 20 0 DBADRM COc1cncc(CN2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001607354168 1018988157 /nfs/dbraw/zinc/98/81/57/1018988157.db2.gz JQDNLADZMHYFCQ-GHMZBOCLSA-N -1 0 306.322 -0.494 20 0 DBADRM COc1cccc([C@H](NC(=O)CN2CCOCC2=O)C(=O)[O-])c1 ZINC001607331548 1018988396 /nfs/dbraw/zinc/98/83/96/1018988396.db2.gz XQXSNEOQRTVFAE-AWEZNQCLSA-N -1 0 322.317 -0.204 20 0 DBADRM COc1ccncc1NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001607350748 1018988512 /nfs/dbraw/zinc/98/85/12/1018988512.db2.gz NYOWPXKZQITKDY-RKDXNWHRSA-N -1 0 323.305 -0.677 20 0 DBADRM CS(=O)(=O)CC1(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)COC1 ZINC001607366437 1018989429 /nfs/dbraw/zinc/98/94/29/1018989429.db2.gz JHOIAMPXFXZEQN-VIFPVBQESA-N -1 0 303.336 -0.663 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)c1ccoc1CC(=O)[O-] ZINC001607366170 1018989684 /nfs/dbraw/zinc/98/96/84/1018989684.db2.gz DYOWIMKBLXKRII-SSDOTTSWSA-N -1 0 305.308 -0.958 20 0 DBADRM COc1nn(C)cc1CNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001607362163 1018990167 /nfs/dbraw/zinc/99/01/67/1018990167.db2.gz BMOLOQVPFYOCKQ-WPRPVWTQSA-N -1 0 312.326 -0.188 20 0 DBADRM CS(=O)(=O)C1CCC(C(=O)N2CCOC[C@H]2C(=O)[O-])CC1 ZINC001607366235 1018990318 /nfs/dbraw/zinc/99/03/18/1018990318.db2.gz FHNZOTJYGPYDCQ-ILDUYXDCSA-N -1 0 319.379 -0.098 20 0 DBADRM COc1ncc(NC(=O)Cn2cc(C(=O)[O-])cn2)cc1C(N)=O ZINC001607357964 1018990900 /nfs/dbraw/zinc/99/09/00/1018990900.db2.gz BEZZHZORFKVKMB-UHFFFAOYSA-N -1 0 319.277 -0.278 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)c1ccoc1CC(=O)[O-] ZINC001607366171 1018991045 /nfs/dbraw/zinc/99/10/45/1018991045.db2.gz DYOWIMKBLXKRII-ZETCQYMHSA-N -1 0 305.308 -0.958 20 0 DBADRM COc1ncc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001607359939 1018991071 /nfs/dbraw/zinc/99/10/71/1018991071.db2.gz VMPZRLGBAUGMDB-VHSXEESVSA-N -1 0 320.305 -0.854 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001607366034 1018991221 /nfs/dbraw/zinc/99/12/21/1018991221.db2.gz ARSOUYPHSLEWQQ-DTWKUNHWSA-N -1 0 320.367 -0.817 20 0 DBADRM COc1ncccc1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607360896 1018991387 /nfs/dbraw/zinc/99/13/87/1018991387.db2.gz MCFJCELRDWJUJB-WDEREUQCSA-N -1 0 319.317 -0.249 20 0 DBADRM COc1nccc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])n1 ZINC001607360247 1018991882 /nfs/dbraw/zinc/99/18/82/1018991882.db2.gz CTORTMFFFSSHIM-SECBINFHSA-N -1 0 311.294 -0.179 20 0 DBADRM COc1ncc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])s1 ZINC001607361664 1018991993 /nfs/dbraw/zinc/99/19/93/1018991993.db2.gz ZELXSKHDLHFCAD-POYBYMJQSA-N -1 0 322.364 -0.250 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CCO1 ZINC001607369605 1018993042 /nfs/dbraw/zinc/99/30/42/1018993042.db2.gz JOMRTJQBCHMOCW-OPRDCNLKSA-N -1 0 320.367 -0.838 20 0 DBADRM CS(=O)(=O)CCC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001607369436 1018993568 /nfs/dbraw/zinc/99/35/68/1018993568.db2.gz CQBNORXZDRYNDT-NSHDSACASA-N -1 0 304.324 -0.747 20 0 DBADRM CS(=O)(=O)CCNC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001607370557 1018994101 /nfs/dbraw/zinc/99/41/01/1018994101.db2.gz OHDBGWXTOYKERK-UHFFFAOYSA-N -1 0 307.353 -0.064 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001502105576 1018994242 /nfs/dbraw/zinc/99/42/42/1018994242.db2.gz UJDRHCUHKPHCRG-KOLCDFICSA-N -1 0 324.385 -0.494 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001607373226 1018995931 /nfs/dbraw/zinc/99/59/31/1018995931.db2.gz OSKAPLXGBFCDMT-WAAGHKOSSA-N -1 0 319.383 -0.427 20 0 DBADRM CS(=O)(=O)N1CCN(Cc2cnc(C(=O)[O-])cn2)CC1 ZINC001607372511 1018996305 /nfs/dbraw/zinc/99/63/05/1018996305.db2.gz DNACNOBTWNPRSE-UHFFFAOYSA-N -1 0 300.340 -0.748 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])on2)C1 ZINC001607374826 1018996635 /nfs/dbraw/zinc/99/66/35/1018996635.db2.gz KISBFPIAPQNPRC-SSDOTTSWSA-N -1 0 317.323 -0.473 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)NCC2(C(=O)[O-])CC2)C1 ZINC001607372535 1018996710 /nfs/dbraw/zinc/99/67/10/1018996710.db2.gz FTIDZADIROGNAF-UHFFFAOYSA-N -1 0 305.356 -0.769 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001607371939 1018997325 /nfs/dbraw/zinc/99/73/25/1018997325.db2.gz LSBRDNMRODZINV-CABZTGNLSA-N -1 0 320.367 -0.982 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)OCCCC(=O)C(=O)[O-])C1 ZINC001607371866 1018997529 /nfs/dbraw/zinc/99/75/29/1018997529.db2.gz IRBKGXGTQQHIPE-VIFPVBQESA-N -1 0 321.351 -0.365 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001607373275 1018997582 /nfs/dbraw/zinc/99/75/82/1018997582.db2.gz RDOVQSOJULQLFB-ALXWSUNGSA-N -1 0 316.379 -0.219 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@H]1C[C@]12CCOC2)C(=O)[O-] ZINC001607377255 1018998587 /nfs/dbraw/zinc/99/85/87/1018998587.db2.gz DRHYOGFTFZJQDY-FIDNZITISA-N -1 0 317.363 -0.583 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)[O-])s1 ZINC001607379847 1018998859 /nfs/dbraw/zinc/99/88/59/1018998859.db2.gz LEEMIJQNJBXWPR-UHFFFAOYSA-N -1 0 320.348 -0.918 20 0 DBADRM CS(=O)(=O)c1nccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC001607383030 1019000186 /nfs/dbraw/zinc/00/01/86/1019000186.db2.gz DNFRIGYPQGACGS-QMMMGPOBSA-N -1 0 313.335 -0.183 20 0 DBADRM CS(=O)(=O)c1ccc(/C=C\C(=O)NCC[C@H](O)C(=O)[O-])o1 ZINC001607380760 1019000383 /nfs/dbraw/zinc/00/03/83/1019000383.db2.gz RYIOXDZNXKETSL-MDHMXLOGSA-N -1 0 317.319 -0.352 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001607375265 1019000510 /nfs/dbraw/zinc/00/05/10/1019000510.db2.gz RXUQGMHVABYUPF-ALXWSUNGSA-N -1 0 316.379 -0.219 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001607385113 1019002331 /nfs/dbraw/zinc/00/23/31/1019002331.db2.gz NOCZWONXOICGBC-VIHFUHMRSA-N -1 0 304.368 -0.759 20 0 DBADRM CS[C@H]1CC[C@@H](NC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001607392443 1019003332 /nfs/dbraw/zinc/00/33/32/1019003332.db2.gz XEVMJLDFYRUUGR-SFYZADRCSA-N -1 0 302.352 -0.955 20 0 DBADRM CS(C)(=O)=NC(=O)CNS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001607387851 1019003385 /nfs/dbraw/zinc/00/33/85/1019003385.db2.gz RWZJMUSBZJKDKK-UHFFFAOYSA-N -1 0 312.369 -0.975 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CNC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC001607423693 1019004034 /nfs/dbraw/zinc/00/40/34/1019004034.db2.gz AACAIXHYSDHEFA-OQPBUACISA-N -1 0 319.317 -0.152 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)CN1CCOCC1 ZINC001607418464 1019004629 /nfs/dbraw/zinc/00/46/29/1019004629.db2.gz ARQPZCDRXBCCBM-JTQLQIEISA-N -1 0 323.353 -0.576 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)Cc1ncc[nH]1 ZINC001607418488 1019004840 /nfs/dbraw/zinc/00/48/40/1019004840.db2.gz BFTHUHIKSWYKRZ-QMMMGPOBSA-N -1 0 304.310 -0.521 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001607418492 1019005462 /nfs/dbraw/zinc/00/54/62/1019005462.db2.gz BKALWKIXFAPQSE-QWRGUYRKSA-N -1 0 321.381 -0.002 20 0 DBADRM CSCC[C@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)C(N)=O ZINC001607400182 1019005901 /nfs/dbraw/zinc/00/59/01/1019005901.db2.gz ZUSIUWVHYZIUOI-QMMMGPOBSA-N -1 0 324.424 -0.232 20 0 DBADRM CSCC[C@H](OC(=O)C1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001607396984 1019006061 /nfs/dbraw/zinc/00/60/61/1019006061.db2.gz LDBTZJOZPAVTCI-QMMMGPOBSA-N -1 0 311.381 -0.373 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC(F)(F)C2)C[C@@H](C(=O)[O-])O1 ZINC001607428681 1019006885 /nfs/dbraw/zinc/00/68/85/1019006885.db2.gz OHFMAPFFMNVUDZ-HLTSFMKQSA-N -1 0 320.292 -0.009 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)nc2)C[C@@H](C(=O)[O-])O1 ZINC001607428397 1019007069 /nfs/dbraw/zinc/00/70/69/1019007069.db2.gz XBLPPKGUKRTTFM-APPZFPTMSA-N -1 0 308.294 -0.697 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@@H](C(=O)[O-])O1 ZINC001607436375 1019008677 /nfs/dbraw/zinc/00/86/77/1019008677.db2.gz PRXODNFGKMBWOR-XCBNKYQSSA-N -1 0 321.289 -0.273 20 0 DBADRM C[C@@H]1CN(C(=O)NCc2nnnn2CC2CC2)C[C@H]1C(=O)[O-] ZINC001607433652 1019009230 /nfs/dbraw/zinc/00/92/30/1019009230.db2.gz PFIRVRNWAIGRST-PSASIEDQSA-N -1 0 308.342 -0.055 20 0 DBADRM C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001607437164 1019010197 /nfs/dbraw/zinc/01/01/97/1019010197.db2.gz HGZUVGCBYPIXHE-MXWKQRLJSA-N -1 0 306.384 -0.558 20 0 DBADRM C[C@@H]1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCS1(=O)=O ZINC001607429655 1019010256 /nfs/dbraw/zinc/01/02/56/1019010256.db2.gz AJMARYXWFJRLOM-OUAUKWLOSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C[C@@H](C(=O)[O-])O1 ZINC001607430468 1019010331 /nfs/dbraw/zinc/01/03/31/1019010331.db2.gz BFSYVILCGXSIKX-VGMNWLOBSA-N -1 0 310.310 -0.753 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCc2nnnn2C)C[C@H]1CC(=O)[O-] ZINC001607432649 1019010648 /nfs/dbraw/zinc/01/06/48/1019010648.db2.gz ROXOMPOLCFGJIQ-NXEZZACHSA-N -1 0 310.358 -0.105 20 0 DBADRM C[C@@H]1CN(C(=O)CCc2ocnc2C(=O)[O-])CCS1(=O)=O ZINC001607430879 1019010915 /nfs/dbraw/zinc/01/09/15/1019010915.db2.gz MAFCSHXMWCWZOX-MRVPVSSYSA-N -1 0 316.335 -0.049 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001607440499 1019011328 /nfs/dbraw/zinc/01/13/28/1019011328.db2.gz PPWPBZWDXCERAH-NKGMTQDZSA-N -1 0 316.379 -0.028 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H](CO)C[C@H]2CCCO2)O[C@H]1C(=O)[O-] ZINC001607441939 1019011370 /nfs/dbraw/zinc/01/13/70/1019011370.db2.gz ZIDDDHCHGLBPEV-LZQZFOIKSA-N -1 0 301.339 -0.089 20 0 DBADRM C[C@@H]1CN(c2nnc([C@H]3CCNC(=O)C3)n2C)C[C@H]1C(=O)[O-] ZINC001607442066 1019011650 /nfs/dbraw/zinc/01/16/50/1019011650.db2.gz VWCMUGKMQGEBPP-KXUCPTDWSA-N -1 0 307.354 -0.034 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCC2N=NC(=S)N2C)O[C@H]1C(=O)[O-] ZINC001607442808 1019012114 /nfs/dbraw/zinc/01/21/14/1019012114.db2.gz RYDWITNUYNTADQ-ZXFLCMHBSA-N -1 0 314.367 -0.359 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cn(C)c(Cl)n2)C[C@@H](C(=O)[O-])O1 ZINC001607439238 1019012391 /nfs/dbraw/zinc/01/23/91/1019012391.db2.gz ZOKPBXNCZKWRRP-RQJHMYQMSA-N -1 0 323.758 -0.064 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCC2CCS(=O)(=O)CC2)O[C@H]1C(=O)[O-] ZINC001607443226 1019012565 /nfs/dbraw/zinc/01/25/65/1019012565.db2.gz YXJJAGHIKAZOMT-FBIMIBRVSA-N -1 0 319.379 -0.194 20 0 DBADRM C[C@@H]1COCCN1Cc1cn(CC(=O)NCCC(=O)[O-])nn1 ZINC001607440691 1019012668 /nfs/dbraw/zinc/01/26/68/1019012668.db2.gz ZOBDRVSOLVCCGW-SNVBAGLBSA-N -1 0 311.342 -0.910 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@H](CO)C[C@@H]2CCCO2)O[C@H]1C(=O)[O-] ZINC001607441941 1019013371 /nfs/dbraw/zinc/01/33/71/1019013371.db2.gz ZIDDDHCHGLBPEV-YBXAARCKSA-N -1 0 301.339 -0.089 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@]1(C)CCNC1=O ZINC001607453480 1019015980 /nfs/dbraw/zinc/01/59/80/1019015980.db2.gz FRLRSDKKCAAAIU-XLKFXECMSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1)C(=O)N(C)C ZINC001607454944 1019016553 /nfs/dbraw/zinc/01/65/53/1019016553.db2.gz MIPINYLZYHEVSV-QMMMGPOBSA-N -1 0 307.306 -0.084 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)Cn1ccc(C(F)F)n1)C(=O)[O-] ZINC001607459025 1019016611 /nfs/dbraw/zinc/01/66/11/1019016611.db2.gz TVYWKTXIGFHQJD-BQBZGAKWSA-N -1 0 318.280 -0.085 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001607453422 1019016700 /nfs/dbraw/zinc/01/67/00/1019016700.db2.gz DKMXNAFDNIYMSS-APPZFPTMSA-N -1 0 322.325 -0.885 20 0 DBADRM C[C@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001607460914 1019017547 /nfs/dbraw/zinc/01/75/47/1019017547.db2.gz HJBAPUHDDOKKLM-CBAPKCEASA-N -1 0 322.325 -0.756 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1c[nH]nc1Cl)C(=O)[O-] ZINC001607460406 1019017646 /nfs/dbraw/zinc/01/76/46/1019017646.db2.gz AUACKHLBYPUGTH-WHFBIAKZSA-N -1 0 324.746 -0.681 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=S)NC1CCOCC1)C(=O)[O-] ZINC001607459712 1019017792 /nfs/dbraw/zinc/01/77/92/1019017792.db2.gz IQSXXYXXLLKVCE-YUMQZZPRSA-N -1 0 303.384 -0.393 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)C[C@@H]1CCCOC1)C(=O)[O-] ZINC001607459934 1019018265 /nfs/dbraw/zinc/01/82/65/1019018265.db2.gz NSGBCZAKTSVWKV-LPEHRKFASA-N -1 0 322.383 -0.690 20 0 DBADRM C[C@H]1CN(C(=O)N[C@@H]2CCc3nnn(C)c3C2)C[C@@H](C(=O)[O-])O1 ZINC001607470730 1019020450 /nfs/dbraw/zinc/02/04/50/1019020450.db2.gz NRFSPOWCYDNNHW-SBMIAAHKSA-N -1 0 323.353 -0.444 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC[C@H]1C(=O)[O-] ZINC001607470808 1019020800 /nfs/dbraw/zinc/02/08/00/1019020800.db2.gz XUHXEEZTRALPSS-LNFKQOIKSA-N -1 0 313.354 -0.229 20 0 DBADRM C[C@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@@H](C(=O)[O-])O1 ZINC001607469394 1019021393 /nfs/dbraw/zinc/02/13/93/1019021393.db2.gz XQRRIJIPTMRTFG-JQWIXIFHSA-N -1 0 300.355 -0.609 20 0 DBADRM C[C@H]1COC(C)(C)CN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001607479442 1019021858 /nfs/dbraw/zinc/02/18/58/1019021858.db2.gz LAIWMFJKVHXWAI-UWVGGRQHSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@H]1CN(c2nnc([C@H]3CC(=O)N(C)C3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001607481094 1019022542 /nfs/dbraw/zinc/02/25/42/1019022542.db2.gz PLUXALMXGGPQNF-GUBZILKMSA-N -1 0 323.353 -0.561 20 0 DBADRM C[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)C1 ZINC001607479978 1019022764 /nfs/dbraw/zinc/02/27/64/1019022764.db2.gz OLFFDUOEFOBWPY-FIXISWKDSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CN(c2nccc(C(=O)[O-])n2)CCN1S(C)(=O)=O ZINC001607478420 1019023207 /nfs/dbraw/zinc/02/32/07/1019023207.db2.gz YXTGHHMJSPAMQX-QMMMGPOBSA-N -1 0 300.340 -0.355 20 0 DBADRM C[C@H]1CN(c2nnnn2CCOCC(F)F)C[C@@H](C(=O)[O-])O1 ZINC001607479644 1019024566 /nfs/dbraw/zinc/02/45/66/1019024566.db2.gz UUFCMRVLQPAFRY-YUMQZZPRSA-N -1 0 321.284 -0.367 20 0 DBADRM Cc1c(C(=O)[O-])cc(CN2CCN3C(=O)NC(=O)[C@@H]3C2)n1C ZINC001607512120 1019024913 /nfs/dbraw/zinc/02/49/13/1019024913.db2.gz SPPNEECAHOSJDB-NSHDSACASA-N -1 0 306.322 -0.232 20 0 DBADRM Cc1c(-c2nnc(N3C[C@H](C)O[C@H](C(=O)[O-])C3)n2C)nnn1C ZINC001607502305 1019025614 /nfs/dbraw/zinc/02/56/14/1019025614.db2.gz POLPIOQFTBNIEN-CBAPKCEASA-N -1 0 321.341 -0.403 20 0 DBADRM Cc1c(C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)nnn1C ZINC001607505603 1019025731 /nfs/dbraw/zinc/02/57/31/1019025731.db2.gz NNPLMOKZHRCOKB-UHFFFAOYSA-N -1 0 319.325 -0.109 20 0 DBADRM Cc1c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nnn1C ZINC001607509753 1019025904 /nfs/dbraw/zinc/02/59/04/1019025904.db2.gz IULSXJBUPQQWFX-JXUBOQSCSA-N -1 0 321.337 -0.779 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)N2CCO[C@@H](C(N)=O)C2)n1C ZINC001607513660 1019026020 /nfs/dbraw/zinc/02/60/20/1019026020.db2.gz DWHYVNTWXRNEPD-LLVKDONJSA-N -1 0 324.337 -0.573 20 0 DBADRM Cc1c(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nnn1C ZINC001607508165 1019026235 /nfs/dbraw/zinc/02/62/35/1019026235.db2.gz IRZQYKQVGRQOFR-VHSXEESVSA-N -1 0 321.337 -0.968 20 0 DBADRM Cc1c(C(=O)N2CC(O)(C(=O)[O-])C2)nnn1Cc1ccncc1 ZINC001607504093 1019026294 /nfs/dbraw/zinc/02/62/94/1019026294.db2.gz HJTUVVWEIFGMGH-UHFFFAOYSA-N -1 0 317.305 -0.699 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607500160 1019026608 /nfs/dbraw/zinc/02/66/08/1019026608.db2.gz MYIWWRQPJBHMNM-JXUBOQSCSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1c(C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cnn1C ZINC001607508178 1019027278 /nfs/dbraw/zinc/02/72/78/1019027278.db2.gz JISJFXSIOFRXCZ-ZJUUUORDSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1c(C(=O)NC[C@H](C)Nc2ccnc(C(=O)[O-])n2)cnn1C ZINC001607507848 1019027442 /nfs/dbraw/zinc/02/74/42/1019027442.db2.gz DKZZONZKGMBOBO-QMMMGPOBSA-N -1 0 318.337 -0.131 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)cccc1C(=O)[O-] ZINC001607534617 1019027976 /nfs/dbraw/zinc/02/79/76/1019027976.db2.gz COOXTMRUZSDFGR-UWVGGRQHSA-N -1 0 322.317 -0.414 20 0 DBADRM Cc1c(NC(=O)C(=O)N(CCO)CCCO)cccc1C(=O)[O-] ZINC001607535558 1019028822 /nfs/dbraw/zinc/02/88/22/1019028822.db2.gz QZSBKQOPSZQHMG-UHFFFAOYSA-N -1 0 324.333 -0.165 20 0 DBADRM Cc1c(C(=O)OCCCc2cn(CC(=O)[O-])nn2)nnn1C ZINC001607526725 1019028922 /nfs/dbraw/zinc/02/89/22/1019028922.db2.gz WBAQYCMKLDEXEI-UHFFFAOYSA-N -1 0 308.298 -0.411 20 0 DBADRM Cc1c(C(=O)N(C)C)occ1S(=O)(=O)N[C@@H](CF)C(=O)[O-] ZINC001607553770 1019029043 /nfs/dbraw/zinc/02/90/43/1019029043.db2.gz BLPFGMWQIHHHLP-ZETCQYMHSA-N -1 0 322.314 -0.009 20 0 DBADRM Cc1c(NC(=O)C(=O)NCC2(O)CCCC2)cnn1CC(=O)[O-] ZINC001607536614 1019029107 /nfs/dbraw/zinc/02/91/07/1019029107.db2.gz IRBXCKMZSNKOCH-UHFFFAOYSA-N -1 0 324.337 -0.364 20 0 DBADRM Cc1c(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)cnn1CC(=O)[O-] ZINC001607539837 1019029754 /nfs/dbraw/zinc/02/97/54/1019029754.db2.gz HGLVJRLRPMLTRS-QMMMGPOBSA-N -1 0 320.309 -0.226 20 0 DBADRM Cc1cc(C(=O)N[C@@H](C)CNc2ccnc(C(=O)[O-])n2)cnn1 ZINC001607580671 1019031192 /nfs/dbraw/zinc/03/11/92/1019031192.db2.gz LVGHKDDKKBFTCO-VIFPVBQESA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1cc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n(C)n1 ZINC001607571919 1019031251 /nfs/dbraw/zinc/03/12/51/1019031251.db2.gz SARGHUAUBBMABG-QWRGUYRKSA-N -1 0 320.349 -0.266 20 0 DBADRM Cc1cc(C(=O)NC[C@H](C)Nc2ccnc(C(=O)[O-])n2)[nH]n1 ZINC001607578254 1019031480 /nfs/dbraw/zinc/03/14/80/1019031480.db2.gz UOTDUPWYVZLWCH-QMMMGPOBSA-N -1 0 304.310 -0.141 20 0 DBADRM Cc1cc(=O)[nH]cc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607561810 1019031501 /nfs/dbraw/zinc/03/15/01/1019031501.db2.gz MYXMEJWNQBHRSL-NXEZZACHSA-N -1 0 319.317 -0.243 20 0 DBADRM Cc1cc(=O)[nH]cc1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607561812 1019031602 /nfs/dbraw/zinc/03/16/02/1019031602.db2.gz MYXMEJWNQBHRSL-VHSXEESVSA-N -1 0 319.317 -0.243 20 0 DBADRM Cc1cc(C(=O)N[C@@H](CO)C(=O)[O-])ccc1N1CCNC1=O ZINC001607580343 1019032025 /nfs/dbraw/zinc/03/20/25/1019032025.db2.gz FYACTOXFRCORIE-JTQLQIEISA-N -1 0 307.306 -0.300 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n(C)n1 ZINC001607581082 1019032190 /nfs/dbraw/zinc/03/21/90/1019032190.db2.gz AEUFCDDWJFKCRD-ZRUFSTJUSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1cc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)c(C)n1NC(N)=O ZINC001607578055 1019032453 /nfs/dbraw/zinc/03/24/53/1019032453.db2.gz IFORBKQOZSBGEG-AWEZNQCLSA-N -1 0 324.337 -0.052 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001607560751 1019032614 /nfs/dbraw/zinc/03/26/14/1019032614.db2.gz RRMGHFNNBHQIBJ-VHSXEESVSA-N -1 0 309.322 -0.007 20 0 DBADRM Cc1cc(C(=O)NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)ncn1 ZINC001607577787 1019032670 /nfs/dbraw/zinc/03/26/70/1019032670.db2.gz USQGKWDJIYQYPO-UWVGGRQHSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1cc(C(=O)N2CCCN(CC(N)=O)CC2)oc1C(=O)[O-] ZINC001607572078 1019032925 /nfs/dbraw/zinc/03/29/25/1019032925.db2.gz WLMDLKKOIRZDPA-UHFFFAOYSA-N -1 0 309.322 -0.081 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)ncn1 ZINC001607641458 1019033184 /nfs/dbraw/zinc/03/31/84/1019033184.db2.gz HHRHYLHSUOEVMJ-ONGXEEELSA-N -1 0 322.321 -0.898 20 0 DBADRM Cc1cc(C(F)(F)F)nn1CC(=O)OCC(=O)NCC(=O)[O-] ZINC001607609947 1019033865 /nfs/dbraw/zinc/03/38/65/1019033865.db2.gz DMQWAXGZAYXNHQ-UHFFFAOYSA-N -1 0 323.227 -0.046 20 0 DBADRM Cc1cc(CC(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n(C)n1 ZINC001607635970 1019034455 /nfs/dbraw/zinc/03/44/55/1019034455.db2.gz JGJGLGQHPQHQLD-NWDGAFQWSA-N -1 0 320.349 -0.681 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)on1 ZINC001607641524 1019034573 /nfs/dbraw/zinc/03/45/73/1019034573.db2.gz IYGQKNSTEAFTHP-JTQLQIEISA-N -1 0 311.294 -0.699 20 0 DBADRM Cc1cc(C=O)c(O)c(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])c1 ZINC001607633973 1019034638 /nfs/dbraw/zinc/03/46/38/1019034638.db2.gz VDXXCXSFWAAHMX-NSHDSACASA-N -1 0 318.289 -0.012 20 0 DBADRM Cc1cc([C@H](NCC(=O)N2CCNC(=O)C2)C(=O)[O-])ccc1F ZINC001607612101 1019034666 /nfs/dbraw/zinc/03/46/66/1019034666.db2.gz LBGODPDTKIYWMD-AWEZNQCLSA-N -1 0 323.324 -0.192 20 0 DBADRM Cc1cc(CNC2CN(S(=O)(=O)N(C)C)C2)[nH]c1C(=O)[O-] ZINC001607648016 1019035013 /nfs/dbraw/zinc/03/50/13/1019035013.db2.gz NKWFKRDCHDAQRN-UHFFFAOYSA-N -1 0 316.383 -0.398 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2CCC3(CC2)C[C@@H](O)CNC3=O)n1 ZINC001607599684 1019035291 /nfs/dbraw/zinc/03/52/91/1019035291.db2.gz IPNWQVRAWMIGAC-SNVBAGLBSA-N -1 0 320.349 -0.049 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NCCOCC(N)=O ZINC001607594586 1019035468 /nfs/dbraw/zinc/03/54/68/1019035468.db2.gz BZCOPYLKDRPFGX-UHFFFAOYSA-N -1 0 323.305 -0.750 20 0 DBADRM Cc1cc(N2CC[C@H](CO)[C@H](O)C2)n2nc(C(=O)[O-])nc2n1 ZINC001607685395 1019036345 /nfs/dbraw/zinc/03/63/45/1019036345.db2.gz WUDVSYDYZOYBLF-RKDXNWHRSA-N -1 0 307.310 -0.690 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC(=O)N(C)[C@@H](C)C2)c(C(=O)[O-])[nH]1 ZINC001607670278 1019036957 /nfs/dbraw/zinc/03/69/57/1019036957.db2.gz CNOSGZLWPLFSCN-QMMMGPOBSA-N -1 0 322.321 -0.351 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001607699235 1019036977 /nfs/dbraw/zinc/03/69/77/1019036977.db2.gz IJQJUWJEYFHJCG-CMPLNLGQSA-N -1 0 324.333 -0.284 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H](C)c2nncn2C)c(C(=O)[O-])[nH]1 ZINC001607671095 1019037154 /nfs/dbraw/zinc/03/71/54/1019037154.db2.gz VEQVJRJBBQUPEY-SSDOTTSWSA-N -1 0 320.309 -0.034 20 0 DBADRM Cc1cc(N2CC[C@@H](CO)[C@@H](O)C2)n2nc(C(=O)[O-])nc2n1 ZINC001607685394 1019037630 /nfs/dbraw/zinc/03/76/30/1019037630.db2.gz WUDVSYDYZOYBLF-IUCAKERBSA-N -1 0 307.310 -0.690 20 0 DBADRM Cc1cc(NC(=O)NC[C@@H](O)Cn2ccnn2)ncc1C(=O)[O-] ZINC001607685743 1019038171 /nfs/dbraw/zinc/03/81/71/1019038171.db2.gz NHAKJUAMAWJRJR-SECBINFHSA-N -1 0 320.309 -0.138 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC001607738359 1019039448 /nfs/dbraw/zinc/03/94/48/1019039448.db2.gz RNAXZOYTTHJIDQ-VIFPVBQESA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1ccc([C@H](O)CNC(=O)NCCn2cc(C(=O)[O-])nn2)o1 ZINC001607759687 1019039534 /nfs/dbraw/zinc/03/95/34/1019039534.db2.gz DBUJCCOGNDVVIA-SNVBAGLBSA-N -1 0 323.309 -0.089 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N1CCS(=O)(=O)CCO1 ZINC001607732958 1019039640 /nfs/dbraw/zinc/03/96/40/1019039640.db2.gz SHJBAOCEVZGTEL-UHFFFAOYSA-N -1 0 319.364 -0.418 20 0 DBADRM Cc1cc[nH]c1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607713666 1019040849 /nfs/dbraw/zinc/04/08/49/1019040849.db2.gz LGEXVVCSAISZFA-NXEZZACHSA-N -1 0 321.333 -0.653 20 0 DBADRM Cc1ccc(-c2nnn(CC(=O)N3CC(O)(C(=O)[O-])C3)n2)cc1 ZINC001607720218 1019040943 /nfs/dbraw/zinc/04/09/43/1019040943.db2.gz BNCZEBWDOHZIAT-UHFFFAOYSA-N -1 0 317.305 -0.694 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001607710437 1019041077 /nfs/dbraw/zinc/04/10/77/1019041077.db2.gz IMQDVGCWLGXGHA-RNFRBKRXSA-N -1 0 302.308 -0.314 20 0 DBADRM Cc1ccc(CCC(=O)NCC(=O)N[C@](C)(CO)C(=O)[O-])cc1 ZINC001607774248 1019041922 /nfs/dbraw/zinc/04/19/22/1019041922.db2.gz CDVCDWUYQGHAEF-MRXNPFEDSA-N -1 0 322.361 -0.004 20 0 DBADRM Cc1cccc(S(=O)(=O)NCC2(CO)COC2)c1C(=O)[O-] ZINC001607864190 1019043970 /nfs/dbraw/zinc/04/39/70/1019043970.db2.gz QRFZNGHWGGTOBH-UHFFFAOYSA-N -1 0 315.347 -0.020 20 0 DBADRM Cc1ccc(CCC(=O)NCC(=O)NC[C@@H](O)CC(=O)[O-])cc1 ZINC001607774366 1019044007 /nfs/dbraw/zinc/04/40/07/1019044007.db2.gz MICJHLXXAYPBQL-ZDUSSCGKSA-N -1 0 322.361 -0.004 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])c(=O)c1 ZINC001607891096 1019044567 /nfs/dbraw/zinc/04/45/67/1019044567.db2.gz BPEBHBATLAEPAT-HFAKWTLXSA-N -1 0 308.334 -0.255 20 0 DBADRM Cc1ccnc(CNC(=O)Cn2cccc(C(=O)[O-])c2=O)n1 ZINC001607894120 1019044671 /nfs/dbraw/zinc/04/46/71/1019044671.db2.gz SVZKFNNUZFPRLF-UHFFFAOYSA-N -1 0 302.290 -0.039 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001607891707 1019045187 /nfs/dbraw/zinc/04/51/87/1019045187.db2.gz YERIXKVHOQCAPW-IUCAKERBSA-N -1 0 324.337 -0.207 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001607890861 1019045355 /nfs/dbraw/zinc/04/53/55/1019045355.db2.gz KRINRJNHFROOPA-ZJUUUORDSA-N -1 0 321.333 -0.046 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c(=O)c1 ZINC001607892380 1019046054 /nfs/dbraw/zinc/04/60/54/1019046054.db2.gz XQJZUGCHQWHBEV-XHDPSFHLSA-N -1 0 324.333 -0.780 20 0 DBADRM Cc1ccn2ncc(C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)c2n1 ZINC001607892485 1019046651 /nfs/dbraw/zinc/04/66/51/1019046651.db2.gz BERMKYLJOCCPHI-VHSXEESVSA-N -1 0 304.306 -0.055 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001607916890 1019047316 /nfs/dbraw/zinc/04/73/16/1019047316.db2.gz LGWIUYFZGPESCT-JTQLQIEISA-N -1 0 317.367 -0.425 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)NCC1(C(=O)[O-])CC1 ZINC001607910362 1019049512 /nfs/dbraw/zinc/04/95/12/1019049512.db2.gz OCWVAFYRDHZIPK-UHFFFAOYSA-N -1 0 313.335 -0.217 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@H](O)[C@H](F)C2)c1C(=O)[O-] ZINC001607936274 1019050656 /nfs/dbraw/zinc/05/06/56/1019050656.db2.gz BBEWXIZQAQBMCY-RQJHMYQMSA-N -1 0 307.303 -0.490 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCOC(=O)N(C)C)c1C(=O)[O-] ZINC001607938062 1019050728 /nfs/dbraw/zinc/05/07/28/1019050728.db2.gz IITXYXLNJPYWSJ-UHFFFAOYSA-N -1 0 320.327 -0.607 20 0 DBADRM Cc1n[nH]c(C)c1CCNS(=O)(=O)N(C)CCC(=O)[O-] ZINC001607937131 1019051517 /nfs/dbraw/zinc/05/15/17/1019051517.db2.gz RGTQRHQHQYPOCR-UHFFFAOYSA-N -1 0 304.372 -0.190 20 0 DBADRM Cc1csc2ncc(C(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])c(=O)n12 ZINC001607933767 1019051742 /nfs/dbraw/zinc/05/17/42/1019051742.db2.gz JLJWUSIWLWSHAF-VXNVDRBHSA-N -1 0 323.330 -0.276 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@](F)(CO)C2)c1C(=O)[O-] ZINC001607936885 1019052054 /nfs/dbraw/zinc/05/20/54/1019052054.db2.gz MIAUUPORKXQOGJ-SNVBAGLBSA-N -1 0 307.303 -0.489 20 0 DBADRM Cc1conc1CS(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001607922891 1019052097 /nfs/dbraw/zinc/05/20/97/1019052097.db2.gz OJMPCZGDJNPOCU-IUCAKERBSA-N -1 0 304.324 -0.420 20 0 DBADRM Cc1csc(C(=O)[O-])c1NC(=O)C(=O)N[C@H]1CCNC1=O ZINC001607924431 1019052478 /nfs/dbraw/zinc/05/24/78/1019052478.db2.gz VCRHWCYGUJWEMG-LURJTMIESA-N -1 0 311.319 -0.302 20 0 DBADRM Cc1nc([C@H]2COCCN2S(=O)(=O)C[C@H](C)C(=O)[O-])no1 ZINC001607951949 1019055106 /nfs/dbraw/zinc/05/51/06/1019055106.db2.gz JKTDBWOPBRLNCU-IONNQARKSA-N -1 0 319.339 -0.198 20 0 DBADRM Cc1nc(C(C)(C)NC(=O)NCCn2cc(C(=O)[O-])nn2)no1 ZINC001607949165 1019055163 /nfs/dbraw/zinc/05/51/63/1019055163.db2.gz WCWWJXJBFZOZRH-UHFFFAOYSA-N -1 0 323.313 -0.098 20 0 DBADRM Cc1nc(SCC(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])n[nH]1 ZINC001607939144 1019055440 /nfs/dbraw/zinc/05/54/40/1019055440.db2.gz KCRQDTGENXSQGR-MRVPVSSYSA-N -1 0 310.339 -0.260 20 0 DBADRM Cc1nc(N)nc(C)c1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001607960684 1019055699 /nfs/dbraw/zinc/05/56/99/1019055699.db2.gz OIDZKGQPDGPCGA-YUMQZZPRSA-N -1 0 309.326 -0.617 20 0 DBADRM Cc1nc([C@@H]2COCCN2S(=O)(=O)C[C@H](C)C(=O)[O-])no1 ZINC001607951948 1019055871 /nfs/dbraw/zinc/05/58/71/1019055871.db2.gz JKTDBWOPBRLNCU-CBAPKCEASA-N -1 0 319.339 -0.198 20 0 DBADRM Cc1nn[nH]c1C(=O)NCC=CCNc1ccnc(C(=O)[O-])n1 ZINC001607940310 1019056423 /nfs/dbraw/zinc/05/64/23/1019056423.db2.gz CIQBICAFSVFFLP-IHWYPQMZSA-N -1 0 317.309 -0.579 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cn1C ZINC001607968085 1019057510 /nfs/dbraw/zinc/05/75/10/1019057510.db2.gz VJIMWTSDDBWTPG-LLVKDONJSA-N -1 0 317.367 -0.425 20 0 DBADRM Cc1ncc(S(=O)(=O)N(C)CC(=O)N(C)C)cc1C(=O)[O-] ZINC001607983706 1019057926 /nfs/dbraw/zinc/05/79/26/1019057926.db2.gz AINZODOIBXUOBY-UHFFFAOYSA-N -1 0 315.351 -0.203 20 0 DBADRM Cc1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c(C)n1 ZINC001607975513 1019058341 /nfs/dbraw/zinc/05/83/41/1019058341.db2.gz CPGGAYLULBGKFE-GHMZBOCLSA-N -1 0 318.333 -0.245 20 0 DBADRM Cc1ncc(NC(=O)C2CN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC001607983096 1019058358 /nfs/dbraw/zinc/05/83/58/1019058358.db2.gz MYERJRIYYLIHJO-UHFFFAOYSA-N -1 0 313.335 -0.082 20 0 DBADRM Cc1ncc(NC(=O)[C@@H](C)NS(C)(=O)=O)cc1C(=O)[O-] ZINC001607983108 1019058475 /nfs/dbraw/zinc/05/84/75/1019058475.db2.gz NAMTVATYPXFGGB-SSDOTTSWSA-N -1 0 301.324 -0.036 20 0 DBADRM Cc1nc2c(nccc2C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])[nH]1 ZINC001607968193 1019058603 /nfs/dbraw/zinc/05/86/03/1019058603.db2.gz DHVQJCBRDVQCDK-VIFPVBQESA-N -1 0 317.305 -0.318 20 0 DBADRM Cc1nc2c(cnn2C)c(NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001607966337 1019058639 /nfs/dbraw/zinc/05/86/39/1019058639.db2.gz VEFCWGLONJOWRW-RKDXNWHRSA-N -1 0 318.337 -0.079 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](CF)C(=O)[O-] ZINC001607976892 1019058736 /nfs/dbraw/zinc/05/87/36/1019058736.db2.gz RYHCADPGBXZEOA-QMMMGPOBSA-N -1 0 310.289 -0.595 20 0 DBADRM Cc1ncc(NC(=O)CN(C)S(C)(=O)=O)cc1C(=O)[O-] ZINC001607981202 1019059222 /nfs/dbraw/zinc/05/92/22/1019059222.db2.gz QLWNOHFHENSQGD-UHFFFAOYSA-N -1 0 301.324 -0.082 20 0 DBADRM Cc1ncc(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1C ZINC001607976062 1019059307 /nfs/dbraw/zinc/05/93/07/1019059307.db2.gz SRMOHNGWFFXPNB-WDEREUQCSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1nc(NC(=O)C(=O)NCc2ccc(C(=O)[O-])o2)nn1C ZINC001607962607 1019059424 /nfs/dbraw/zinc/05/94/24/1019059424.db2.gz CZFNJLWFECATDC-UHFFFAOYSA-N -1 0 307.266 -0.330 20 0 DBADRM Cc1ncn(C)c1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607991335 1019060269 /nfs/dbraw/zinc/06/02/69/1019060269.db2.gz XJMYSUORVRPJGJ-GHMZBOCLSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1ncn(C)c1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607991282 1019061816 /nfs/dbraw/zinc/06/18/16/1019061816.db2.gz VWBRXGBMQHRETD-GHMZBOCLSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1nccn1CCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001607989958 1019061967 /nfs/dbraw/zinc/06/19/67/1019061967.db2.gz ZSGGQRFJVNSIRW-LLVKDONJSA-N -1 0 324.337 -0.990 20 0 DBADRM Cc1nn(CC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c2ncccc12 ZINC001608003612 1019062776 /nfs/dbraw/zinc/06/27/76/1019062776.db2.gz IOGYWEGCLNHFKU-MWLCHTKSSA-N -1 0 304.306 -0.214 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@@H](C(=O)NC[C@@H](O)CC(=O)[O-])C1 ZINC001608004920 1019064396 /nfs/dbraw/zinc/06/43/96/1019064396.db2.gz KCCURQJCVXRRHE-GZMMTYOYSA-N -1 0 310.310 -0.827 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@H]1CCN(C)C1=O ZINC001608004621 1019065240 /nfs/dbraw/zinc/06/52/40/1019065240.db2.gz OUZOCGOEWCUNLU-SNVBAGLBSA-N -1 0 308.338 -0.321 20 0 DBADRM Cc1nnc(NC(=O)NCCC(=O)NCCC(=O)[O-])s1 ZINC001608019579 1019066651 /nfs/dbraw/zinc/06/66/51/1019066651.db2.gz XGRDNLTXMCQRBK-UHFFFAOYSA-N -1 0 301.328 -0.051 20 0 DBADRM Cc1noc(C)c1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608024077 1019067362 /nfs/dbraw/zinc/06/73/62/1019067362.db2.gz HCUCGEVPLZAMFZ-UWVGGRQHSA-N -1 0 307.306 -0.047 20 0 DBADRM Cc1nnc(-c2ccccc2C(=O)NCC(=O)NCC(=O)[O-])o1 ZINC001608012626 1019067383 /nfs/dbraw/zinc/06/73/83/1019067383.db2.gz GDRINQYHNJOXEZ-UHFFFAOYSA-N -1 0 318.289 -0.024 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001608020659 1019067607 /nfs/dbraw/zinc/06/76/07/1019067607.db2.gz SKXREVONEZAILC-UHFFFAOYSA-N -1 0 303.278 -0.758 20 0 DBADRM Cc1noc(CN(C)C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1 ZINC001608027702 1019069546 /nfs/dbraw/zinc/06/95/46/1019069546.db2.gz DOTDEIBYFYJGIL-VIFPVBQESA-N -1 0 310.310 -0.340 20 0 DBADRM Cc1oc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1S(C)(=O)=O ZINC001608032110 1019069705 /nfs/dbraw/zinc/06/97/05/1019069705.db2.gz KDIWUSRLRXZYMW-OIBJUYFYSA-N -1 0 317.319 -0.037 20 0 DBADRM Cc1nonc1CNC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001608030573 1019070137 /nfs/dbraw/zinc/07/01/37/1019070137.db2.gz RHCUCJIRXJVRCQ-UHFFFAOYSA-N -1 0 303.340 -0.110 20 0 DBADRM Cc1nonc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608031510 1019070284 /nfs/dbraw/zinc/07/02/84/1019070284.db2.gz VSRCMSHITGUOPL-RGOKHQFPSA-N -1 0 322.321 -0.595 20 0 DBADRM Cc1oc(CNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C(=O)[O-] ZINC001608047426 1019070305 /nfs/dbraw/zinc/07/03/05/1019070305.db2.gz QXDRTTGMTVCQQL-ZCFIWIBFSA-N -1 0 304.324 -0.160 20 0 DBADRM Cn1c2ccccc2n(CC(=O)N2CC[C@](O)(C(=O)[O-])C2)c1=O ZINC001608077622 1019072331 /nfs/dbraw/zinc/07/23/31/1019072331.db2.gz CZHKAIZUVPBJPJ-OAHLLOKOSA-N -1 0 319.317 -0.612 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[C@H]3C(=O)[O-])cnc21 ZINC001608075990 1019073014 /nfs/dbraw/zinc/07/30/14/1019073014.db2.gz MCCCCMTZZSPQGY-QMMMGPOBSA-N -1 0 304.262 -0.667 20 0 DBADRM Cc1oc(S(=O)(=O)NCCNC(=O)N(C)C)cc1C(=O)[O-] ZINC001608055719 1019073114 /nfs/dbraw/zinc/07/31/14/1019073114.db2.gz DIBIVVQGKKRQPD-UHFFFAOYSA-N -1 0 319.339 -0.164 20 0 DBADRM Cn1c2ccccc2n(CCC(=O)N[C@](C)(CO)C(=O)[O-])c1=O ZINC001608077835 1019073717 /nfs/dbraw/zinc/07/37/17/1019073717.db2.gz MAGVPXKKZBXSOK-OAHLLOKOSA-N -1 0 321.333 -0.318 20 0 DBADRM Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001608080334 1019074371 /nfs/dbraw/zinc/07/43/71/1019074371.db2.gz GSHNLPQHFXIMGR-SECBINFHSA-N -1 0 309.326 -0.659 20 0 DBADRM Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001608092249 1019075154 /nfs/dbraw/zinc/07/51/54/1019075154.db2.gz OJFPOKYAVHRAIN-JTQLQIEISA-N -1 0 321.333 -0.396 20 0 DBADRM Cn1c(N2CC[C@@](F)(C(=O)[O-])C2)nnc1[C@@]1(C)CNC(=O)C1 ZINC001608090710 1019075425 /nfs/dbraw/zinc/07/54/25/1019075425.db2.gz ANJUPIJZNXRSAZ-OLZOCXBDSA-N -1 0 311.317 -0.404 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC001608082926 1019075703 /nfs/dbraw/zinc/07/57/03/1019075703.db2.gz WGHWRCSKOSELHO-UHFFFAOYSA-N -1 0 305.294 -0.394 20 0 DBADRM Cn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1[C@@]1(C)CCC(=O)NC1 ZINC001608091524 1019075823 /nfs/dbraw/zinc/07/58/23/1019075823.db2.gz NXLDZFWZVPDYKX-XPTSAGLGSA-N -1 0 323.353 -0.727 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)OCCCN1C(=O)CNC1=O ZINC001608083997 1019076292 /nfs/dbraw/zinc/07/62/92/1019076292.db2.gz LEUNUOIAJWWBEV-UHFFFAOYSA-N -1 0 309.278 -0.178 20 0 DBADRM Cn1c(CO)nc2cc(C(=O)N[C@](C)(CO)C(=O)[O-])ccc21 ZINC001608089625 1019076415 /nfs/dbraw/zinc/07/64/15/1019076415.db2.gz IFWIJYUFSSMISO-CQSZACIVSA-N -1 0 307.306 -0.369 20 0 DBADRM Cn1cc(-c2c[nH]cc2C(=O)OCC(=O)NCC(=O)[O-])cn1 ZINC001608092492 1019076585 /nfs/dbraw/zinc/07/65/85/1019076585.db2.gz VGASLPNPSOOZKG-UHFFFAOYSA-N -1 0 306.278 -0.227 20 0 DBADRM Cn1cc(Br)c(C(=O)N[C@H](CO)C(=O)[O-])cc1=O ZINC001608094273 1019076600 /nfs/dbraw/zinc/07/66/00/1019076600.db2.gz VLRJMHQYSNSBGD-SSDOTTSWSA-N -1 0 319.111 -0.677 20 0 DBADRM Cn1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001608097897 1019077083 /nfs/dbraw/zinc/07/70/83/1019077083.db2.gz AHAJKDYEPSXRCW-MNOVXSKESA-N -1 0 306.322 -0.671 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2CC(S(C)(=O)=O)C2)n1 ZINC001608099422 1019077133 /nfs/dbraw/zinc/07/71/33/1019077133.db2.gz UUBXCMSIEUJKRM-UHFFFAOYSA-N -1 0 302.312 -0.621 20 0 DBADRM Cn1cc(C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)nn1 ZINC001608097669 1019077399 /nfs/dbraw/zinc/07/73/99/1019077399.db2.gz GGNPVGMHAGDYCP-UHFFFAOYSA-N -1 0 317.305 -0.189 20 0 DBADRM Cn1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001608097896 1019077429 /nfs/dbraw/zinc/07/74/29/1019077429.db2.gz AHAJKDYEPSXRCW-GHMZBOCLSA-N -1 0 306.322 -0.671 20 0 DBADRM Cn1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)[nH]c1=O ZINC001608098222 1019077450 /nfs/dbraw/zinc/07/74/50/1019077450.db2.gz NFQRYRZLAQRVLT-SFYZADRCSA-N -1 0 322.321 -0.775 20 0 DBADRM Cn1cc(C(=O)N[C@@](C)(CCF)C(=O)[O-])c(=O)n(C)c1=O ZINC001608096594 1019077736 /nfs/dbraw/zinc/07/77/36/1019077736.db2.gz PNOAUVMOSPAHTQ-LBPRGKRZSA-N -1 0 301.274 -0.983 20 0 DBADRM Cn1cc(/C=C/C(=O)O[C@H](C(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC001608107117 1019078917 /nfs/dbraw/zinc/07/89/17/1019078917.db2.gz MNMUFCLTWHDYNT-QRGHLMKCSA-N -1 0 308.290 -0.496 20 0 DBADRM Cn1cc(/C=C/C(=O)NOCCCC(=O)[O-])c(=O)n(C)c1=O ZINC001608109641 1019078973 /nfs/dbraw/zinc/07/89/73/1019078973.db2.gz MFOIAMRLQIYVQT-AATRIKPKSA-N -1 0 311.294 -0.990 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)Nc3[nH]cnc3C(=O)[O-])C2)cn1 ZINC001608106811 1019079622 /nfs/dbraw/zinc/07/96/22/1019079622.db2.gz HUVDYJZJKVRNAU-QMMMGPOBSA-N -1 0 304.266 -0.027 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)c3cc(C(=O)[O-])no3)CCN2)cn1 ZINC001608108128 1019080268 /nfs/dbraw/zinc/08/02/68/1019080268.db2.gz XSMGMYYQBPLVPH-JTQLQIEISA-N -1 0 305.294 -0.107 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001608102829 1019080872 /nfs/dbraw/zinc/08/08/72/1019080872.db2.gz PMXKPPFRKPUOPN-MYJAWHEDSA-N -1 0 300.336 -0.418 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N[C@H](CF)C(=O)[O-])CCC2=O)cn1 ZINC001608117639 1019081355 /nfs/dbraw/zinc/08/13/55/1019081355.db2.gz PHCXYMDZKMYIPF-PSASIEDQSA-N -1 0 312.301 -0.298 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N[C@@H](C(=O)[O-])C3CC3)CC2=O)cn1 ZINC001608117675 1019081926 /nfs/dbraw/zinc/08/19/26/1019081926.db2.gz QBEJDEQKZQNSRA-JOYOIKCWSA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1cc(CNC(=O)N2CCC(CC(=O)[O-])CC2)c(=O)[nH]c1=O ZINC001608112310 1019082117 /nfs/dbraw/zinc/08/21/17/1019082117.db2.gz XJISVIDMZPSSSL-UHFFFAOYSA-N -1 0 324.337 -0.118 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)NCCSCCC(=O)[O-])cn1 ZINC001608110643 1019082320 /nfs/dbraw/zinc/08/23/20/1019082320.db2.gz KCZVNZFNKMGEMK-JTQLQIEISA-N -1 0 301.368 -0.352 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](CO)[C@@H]2CCOC2)cc1C(=O)[O-] ZINC001608121753 1019084628 /nfs/dbraw/zinc/08/46/28/1019084628.db2.gz BIOYYZNVEADTAX-SCZZXKLOSA-N -1 0 318.351 -0.601 20 0 DBADRM Cn1ccc(C(=O)NC[C@H](O)CNc2ncc(C(=O)[O-])cn2)n1 ZINC001608123086 1019085342 /nfs/dbraw/zinc/08/53/42/1019085342.db2.gz AKHMYINFMXTHAK-VIFPVBQESA-N -1 0 320.309 -0.889 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCSC[C@@H](C(=O)[O-])C2)cn1 ZINC001608121802 1019085587 /nfs/dbraw/zinc/08/55/87/1019085587.db2.gz DUEJIZFXTVTXPX-QMMMGPOBSA-N -1 0 305.381 -0.142 20 0 DBADRM Cn1ccc(=O)c(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001608123311 1019085611 /nfs/dbraw/zinc/08/56/11/1019085611.db2.gz GPXUAGVQITWLTO-VHSXEESVSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1cc(S(=O)(=O)NCCC(C)(C)C(=O)[O-])c(=O)[nH]c1=O ZINC001608121693 1019085651 /nfs/dbraw/zinc/08/56/51/1019085651.db2.gz YCAHLAJBRMMIGE-UHFFFAOYSA-N -1 0 319.339 -0.735 20 0 DBADRM Cn1ccc(C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CCC2)n1 ZINC001608123820 1019085741 /nfs/dbraw/zinc/08/57/41/1019085741.db2.gz UNBJHUMBCFUHOL-VHSXEESVSA-N -1 0 320.349 -0.091 20 0 DBADRM Cn1ccc(NC(=O)CNS(=O)(=O)CC2(C(=O)[O-])CC2)n1 ZINC001608130809 1019086882 /nfs/dbraw/zinc/08/68/82/1019086882.db2.gz YILXQGSHIYDHJL-UHFFFAOYSA-N -1 0 316.339 -0.857 20 0 DBADRM Cn1cnc(C(=O)NCC=CCNc2ccnc(C(=O)[O-])n2)n1 ZINC001608134274 1019087221 /nfs/dbraw/zinc/08/72/21/1019087221.db2.gz PSHDWMKEYZHEAU-IHWYPQMZSA-N -1 0 317.309 -0.877 20 0 DBADRM Cn1cnc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4C(=O)[O-])C[C@H]32)c1 ZINC001608133272 1019088163 /nfs/dbraw/zinc/08/81/63/1019088163.db2.gz BRAZHHZZFDUISL-OMHSBUABSA-N -1 0 318.333 -0.673 20 0 DBADRM Cn1ccnc(N2CCN(C(=O)CCCC(=O)[O-])CC2)c1=O ZINC001608128665 1019088182 /nfs/dbraw/zinc/08/81/82/1019088182.db2.gz GKIVYYDMTZGLKH-UHFFFAOYSA-N -1 0 308.338 -0.316 20 0 DBADRM Cn1ccnc1COCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001608132206 1019088399 /nfs/dbraw/zinc/08/83/99/1019088399.db2.gz AOASJDVMUPBZJV-JTQLQIEISA-N -1 0 307.310 -0.528 20 0 DBADRM Cn1cnc(/C=C\C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1 ZINC001608134923 1019088460 /nfs/dbraw/zinc/08/84/60/1019088460.db2.gz YQGMMPFYGFVSLD-WYGGZMRJSA-N -1 0 306.322 -0.375 20 0 DBADRM Cn1ccnc1N1CCN(CCc2cn(CC(=O)[O-])nn2)CC1 ZINC001608132895 1019088623 /nfs/dbraw/zinc/08/86/23/1019088623.db2.gz PUYIMXVBYMEAOK-UHFFFAOYSA-N -1 0 319.369 -0.539 20 0 DBADRM Cn1cnc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])cc1=O ZINC001608133392 1019088760 /nfs/dbraw/zinc/08/87/60/1019088760.db2.gz DOAMNYBFASIJKM-QMMMGPOBSA-N -1 0 311.294 -0.884 20 0 DBADRM Cn1ccnc(NC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c1=O ZINC001608128696 1019088954 /nfs/dbraw/zinc/08/89/54/1019088954.db2.gz HSJRMUFKMSELHX-ZDUSSCGKSA-N -1 0 321.293 -0.382 20 0 DBADRM Cn1cncc1CCC(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-] ZINC001608136582 1019090661 /nfs/dbraw/zinc/09/06/61/1019090661.db2.gz AIMGVBOSSUPTIY-UHFFFAOYSA-N -1 0 323.309 -0.216 20 0 DBADRM Cn1cncc1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001608136532 1019090835 /nfs/dbraw/zinc/09/08/35/1019090835.db2.gz QGQJLDHBTLFIOW-VHSXEESVSA-N -1 0 306.322 -0.671 20 0 DBADRM Cn1cnn(CC(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)c1=O ZINC001608137276 1019091259 /nfs/dbraw/zinc/09/12/59/1019091259.db2.gz DBXFPLDQYAODRQ-LBPRGKRZSA-N -1 0 318.333 -0.216 20 0 DBADRM Cn1cnn(CC(=O)O[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c1=O ZINC001608137638 1019091649 /nfs/dbraw/zinc/09/16/49/1019091649.db2.gz RMTYXLOQDSFDLW-NSHDSACASA-N -1 0 323.280 -0.040 20 0 DBADRM Cn1cnn(CCC(=O)NCc2ccc(C(=O)[O-])nc2)c1=O ZINC001608137745 1019091666 /nfs/dbraw/zinc/09/16/66/1019091666.db2.gz VCKSSAMEILZTKY-UHFFFAOYSA-N -1 0 305.294 -0.619 20 0 DBADRM Cn1cnn(CCC(=O)NC2(C(=O)[O-])CCSCC2)c1=O ZINC001608137388 1019091816 /nfs/dbraw/zinc/09/18/16/1019091816.db2.gz JZRARBXEJCTSAO-UHFFFAOYSA-N -1 0 314.367 -0.562 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)NCC2(C(=O)[O-])CC2)CC1 ZINC001608139563 1019092086 /nfs/dbraw/zinc/09/20/86/1019092086.db2.gz JICZOXUSWBXUDV-UHFFFAOYSA-N -1 0 308.342 -0.489 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)NC1CN(c2ccncn2)C1 ZINC001608144708 1019092238 /nfs/dbraw/zinc/09/22/38/1019092238.db2.gz ZICQAGDNKBBRJH-UHFFFAOYSA-N -1 0 317.309 -0.081 20 0 DBADRM Cn1nc(C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])ccc1=O ZINC001608142146 1019092421 /nfs/dbraw/zinc/09/24/21/1019092421.db2.gz FVDDPRBRTBIXQD-NSHDSACASA-N -1 0 316.317 -0.151 20 0 DBADRM Cn1nc(NC(=O)CCCN2C(=O)CCC2=O)cc1C(=O)[O-] ZINC001608149567 1019092614 /nfs/dbraw/zinc/09/26/14/1019092614.db2.gz FIRARYSPCYVPTN-UHFFFAOYSA-N -1 0 308.294 -0.014 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCC1N=NC(=O)N1C1CC1 ZINC001608144663 1019092844 /nfs/dbraw/zinc/09/28/44/1019092844.db2.gz PEIMCQAQBOMZRT-UHFFFAOYSA-N -1 0 306.282 -0.320 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCc1ccc(C(N)=O)nc1 ZINC001608144802 1019093198 /nfs/dbraw/zinc/09/31/98/1019093198.db2.gz ZHNWARUWFJNETM-UHFFFAOYSA-N -1 0 303.278 -0.458 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC001608156469 1019094444 /nfs/dbraw/zinc/09/44/44/1019094444.db2.gz RETXXPHZGKSWJM-NSHDSACASA-N -1 0 316.339 -0.183 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)c1cc(C(=O)[O-])no1)CC2 ZINC001608154038 1019094786 /nfs/dbraw/zinc/09/47/86/1019094786.db2.gz XBZLQYVKQSXJRE-UHFFFAOYSA-N -1 0 304.262 -0.335 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)N[C@@H](C(=O)[O-])C1CC1)[nH]c2=O ZINC001608159015 1019096883 /nfs/dbraw/zinc/09/68/83/1019096883.db2.gz IKKPKFGLXRMGND-LLVKDONJSA-N -1 0 319.321 -0.019 20 0 DBADRM Cn1nccc1[C@H](O)CNC(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001608164619 1019097154 /nfs/dbraw/zinc/09/71/54/1019097154.db2.gz QHQKNYSEQVWWIU-SECBINFHSA-N -1 0 306.282 -0.237 20 0 DBADRM Cn1nccc1[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001608163268 1019097492 /nfs/dbraw/zinc/09/74/92/1019097492.db2.gz ZUKXVNNLPCHYAQ-ZETCQYMHSA-N -1 0 315.307 -0.277 20 0 DBADRM Cn1nccc1[C@@H](O)CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001608164595 1019097806 /nfs/dbraw/zinc/09/78/06/1019097806.db2.gz OOCUNRAJVXYPKX-XKSSXDPKSA-N -1 0 303.340 -0.764 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)Nc1n[nH]c(CC(=O)[O-])n1)CC2 ZINC001608160119 1019097839 /nfs/dbraw/zinc/09/78/39/1019097839.db2.gz DDDWXCSNVGFTTE-ZETCQYMHSA-N -1 0 304.310 -0.091 20 0 DBADRM Cn1ncc2c1CN(S(=O)(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC001608160412 1019098548 /nfs/dbraw/zinc/09/85/48/1019098548.db2.gz BZAOETYSWFVXMP-UHFFFAOYSA-N -1 0 314.367 -0.223 20 0 DBADRM Cn1nnc2c1CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])nn1)C2 ZINC001608167895 1019099202 /nfs/dbraw/zinc/09/92/02/1019099202.db2.gz KTVRROORAHQBFY-SSDOTTSWSA-N -1 0 317.309 -0.018 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)OCCn1cc(C(=O)[O-])nn1)CC2 ZINC001608167096 1019099520 /nfs/dbraw/zinc/09/95/20/1019099520.db2.gz GWBNSRPJLBBFCW-QMMMGPOBSA-N -1 0 320.309 -0.547 20 0 DBADRM Cn1nnc2cc(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])cnc21 ZINC001608168369 1019099743 /nfs/dbraw/zinc/09/97/43/1019099743.db2.gz PRYRWGPYIIMZQS-GMSGAONNSA-N -1 0 305.294 -0.417 20 0 DBADRM Cn1nccc1CCn1nnnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001608165621 1019099886 /nfs/dbraw/zinc/09/98/86/1019099886.db2.gz PXRSBJCZNXGECC-CYBMUJFWSA-N -1 0 305.342 -0.050 20 0 DBADRM Cn1ncnc1CNC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001608166531 1019100681 /nfs/dbraw/zinc/10/06/81/1019100681.db2.gz QHFTWKDRRXRMIF-UHFFFAOYSA-N -1 0 302.356 -0.673 20 0 DBADRM Cn1nnc(CN[C@H]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001608167052 1019100925 /nfs/dbraw/zinc/10/09/25/1019100925.db2.gz FQWBGVATJMKRNX-XWLWVQCSSA-N -1 0 322.369 -0.552 20 0 DBADRM Cn1nccc1S(=O)(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001608166313 1019101339 /nfs/dbraw/zinc/10/13/39/1019101339.db2.gz DBDHETPVBIAKLX-IUCAKERBSA-N -1 0 303.340 -0.564 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001608166496 1019101519 /nfs/dbraw/zinc/10/15/19/1019101519.db2.gz OPQJWQFLTHRCKQ-UHFFFAOYSA-N -1 0 320.280 -0.004 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001608166416 1019101726 /nfs/dbraw/zinc/10/17/26/1019101726.db2.gz KFWHDKJOMARDQU-ZDMBXUJBSA-N -1 0 321.337 -0.719 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-])CC2 ZINC001608167917 1019101815 /nfs/dbraw/zinc/10/18/15/1019101815.db2.gz RPSPGMFPYJLIJS-ZHAHWJHGSA-N -1 0 308.338 -0.644 20 0 DBADRM Cn1nccc1COCC(=O)N[C@H](Cn1ccnc1)C(=O)[O-] ZINC001608165591 1019101945 /nfs/dbraw/zinc/10/19/45/1019101945.db2.gz OIZZNSNGMBTGKE-LLVKDONJSA-N -1 0 307.310 -0.597 20 0 DBADRM Cn1nncc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001608168666 1019104599 /nfs/dbraw/zinc/10/45/99/1019104599.db2.gz XHAXYXBBANCXOM-JCIQBVFBSA-N -1 0 305.338 -0.918 20 0 DBADRM Cn1nncc1NC(=O)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001608169393 1019105216 /nfs/dbraw/zinc/10/52/16/1019105216.db2.gz SKVVVVXPMZUZAI-JTQLQIEISA-N -1 0 317.305 -0.262 20 0 DBADRM NC(=O)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ncc(C(=O)[O-])cn1 ZINC001608227330 1019114483 /nfs/dbraw/zinc/11/44/83/1019114483.db2.gz MJKAWLJFPGNKHA-ZJUUUORDSA-N -1 0 319.321 -0.770 20 0 DBADRM NC(=O)C1(CNC(=O)Cn2cccc(C(=O)[O-])c2=O)CCCC1 ZINC001608228466 1019114571 /nfs/dbraw/zinc/11/45/71/1019114571.db2.gz NIOUTTZKDPVAAG-UHFFFAOYSA-N -1 0 321.333 -0.292 20 0 DBADRM NC(=O)C1(C(=O)N2CCC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)CC1 ZINC001608227760 1019115424 /nfs/dbraw/zinc/11/54/24/1019115424.db2.gz CZVQALNOXNDPJM-UWVGGRQHSA-N -1 0 323.349 -0.920 20 0 DBADRM NC(=O)C1(NC(=O)Cc2ccc(C(=O)[O-])nc2)CCOCC1 ZINC001608228490 1019116166 /nfs/dbraw/zinc/11/61/66/1019116166.db2.gz OTMHBRBHYCMVDA-UHFFFAOYSA-N -1 0 307.306 -0.527 20 0 DBADRM NC(=O)C1(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)CC1 ZINC001608227759 1019116647 /nfs/dbraw/zinc/11/66/47/1019116647.db2.gz CZVQALNOXNDPJM-NXEZZACHSA-N -1 0 323.349 -0.920 20 0 DBADRM NC(=O)C1CCN(C(=O)COCc2ocnc2C(=O)[O-])CC1 ZINC001608230983 1019118571 /nfs/dbraw/zinc/11/85/71/1019118571.db2.gz KFLWXOUFFOOBHS-UHFFFAOYSA-N -1 0 311.294 -0.387 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CCO1 ZINC001608230741 1019119244 /nfs/dbraw/zinc/11/92/44/1019119244.db2.gz YYXJIYLSZMRHNA-NZHYYXIDSA-N -1 0 311.338 -0.619 20 0 DBADRM NC(=O)CC(=O)N[C@@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001608229956 1019119642 /nfs/dbraw/zinc/11/96/42/1019119642.db2.gz RBRDTXXAHWKHBF-MRVPVSSYSA-N -1 0 307.310 -0.865 20 0 DBADRM NC(=O)CC(=O)N[C@@H]1CCC[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001608230806 1019119701 /nfs/dbraw/zinc/11/97/01/1019119701.db2.gz ZVYYHRYGJXFGDS-WCBMZHEXSA-N -1 0 321.337 -0.253 20 0 DBADRM NC(=O)[C@H]1CN(CC(=O)Nc2ccccc2C(=O)[O-])CCO1 ZINC001608229251 1019119900 /nfs/dbraw/zinc/11/99/00/1019119900.db2.gz FZWXXLABCRHSOH-LLVKDONJSA-N -1 0 307.306 -0.491 20 0 DBADRM NC(=O)C1CCN(C(=O)CN2CC(F)(F)C[C@@H]2C(=O)[O-])CC1 ZINC001608230937 1019120171 /nfs/dbraw/zinc/12/01/71/1019120171.db2.gz IMHXPTUTPSRMRS-SECBINFHSA-N -1 0 319.308 -0.496 20 0 DBADRM NC(=O)CN1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1=O ZINC001608234376 1019122167 /nfs/dbraw/zinc/12/21/67/1019122167.db2.gz CEPHUYIJMDKBQN-VHSXEESVSA-N -1 0 311.338 -0.967 20 0 DBADRM NC(=O)CCCC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001608234589 1019122540 /nfs/dbraw/zinc/12/25/40/1019122540.db2.gz XUNFCRIBOSWITD-JTQLQIEISA-N -1 0 321.337 -0.475 20 0 DBADRM NC(=O)CC1CN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1 ZINC001608232683 1019122686 /nfs/dbraw/zinc/12/26/86/1019122686.db2.gz WOMOBCZFTLTTIS-UHFFFAOYSA-N -1 0 323.280 -0.204 20 0 DBADRM NC(=O)C[C@@H]1COCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001608231734 1019123120 /nfs/dbraw/zinc/12/31/20/1019123120.db2.gz KFVQDZIWUAOLHY-LLVKDONJSA-N -1 0 322.317 -0.134 20 0 DBADRM NC(=O)[C@]1(O)CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001608231183 1019123592 /nfs/dbraw/zinc/12/35/92/1019123592.db2.gz ZQOZUKOPJYOMMP-AWEZNQCLSA-N -1 0 307.306 -0.755 20 0 DBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001608233109 1019123923 /nfs/dbraw/zinc/12/39/23/1019123923.db2.gz VIPSBISAYKNKKP-SNVBAGLBSA-N -1 0 323.305 -0.264 20 0 DBADRM NC(=O)N[C@@H](CC(=O)NCC[C@H](O)C(=O)[O-])c1cccs1 ZINC001608238053 1019125011 /nfs/dbraw/zinc/12/50/11/1019125011.db2.gz KFIHOFIZCNUNRU-YUMQZZPRSA-N -1 0 315.351 -0.201 20 0 DBADRM NC(=O)Cc1occc1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001608237476 1019125326 /nfs/dbraw/zinc/12/53/26/1019125326.db2.gz RAVLIVKMGCSMIG-VIFPVBQESA-N -1 0 323.305 -0.887 20 0 DBADRM NC(=O)NC1(C(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])CC1 ZINC001608237747 1019125385 /nfs/dbraw/zinc/12/53/85/1019125385.db2.gz BTEXOJMIXHLRSH-JTQLQIEISA-N -1 0 321.333 -0.047 20 0 DBADRM NC(=O)NCCCCC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001608238230 1019126189 /nfs/dbraw/zinc/12/61/89/1019126189.db2.gz OCIDRJATSWVSPI-NSHDSACASA-N -1 0 301.343 -0.491 20 0 DBADRM NC(=O)N[C@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001608238168 1019126345 /nfs/dbraw/zinc/12/63/45/1019126345.db2.gz MSWMBEGGCVFRRT-QMMMGPOBSA-N -1 0 305.356 -0.686 20 0 DBADRM NC(=O)CN1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1=O ZINC001608235289 1019126357 /nfs/dbraw/zinc/12/63/57/1019126357.db2.gz ZODQLIDWLCDIQW-UHFFFAOYSA-N -1 0 323.349 -0.822 20 0 DBADRM NC(=O)[C@H]1C[C@H]1C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1[C@@H]1CCCO1 ZINC001608240455 1019129804 /nfs/dbraw/zinc/12/98/04/1019129804.db2.gz HDPOHFABVSSQPM-HGCLJGPKSA-N -1 0 310.350 -0.021 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)cn1 ZINC001608242455 1019130156 /nfs/dbraw/zinc/13/01/56/1019130156.db2.gz ACJVZGKXOBHGCB-CQSZACIVSA-N -1 0 307.306 -0.066 20 0 DBADRM NC(=O)c1ccc(/C=C\C(=O)NC[C@]2(C(=O)[O-])CCOC2)o1 ZINC001608242410 1019130206 /nfs/dbraw/zinc/13/02/06/1019130206.db2.gz CKYYNNCHOBHSNV-CTGSTSKSSA-N -1 0 308.290 -0.001 20 0 DBADRM NC(=O)c1cc(N2CCC3(CC(C(=O)[O-])=NO3)CC2)ncn1 ZINC001608242020 1019130227 /nfs/dbraw/zinc/13/02/27/1019130227.db2.gz WLBXJAQJBAHESC-UHFFFAOYSA-N -1 0 305.294 -0.225 20 0 DBADRM NC(=O)c1ccc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)o1 ZINC001608242807 1019130254 /nfs/dbraw/zinc/13/02/54/1019130254.db2.gz KFMZXONSVOIJAE-QMMMGPOBSA-N -1 0 310.262 -0.389 20 0 DBADRM NC(=O)[C@H]1C[C@H](NS(=O)(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC001608240919 1019130570 /nfs/dbraw/zinc/13/05/70/1019130570.db2.gz NZCHYDFFQAGQCG-MGCOHNPYSA-N -1 0 312.347 -0.144 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])nc1 ZINC001608242880 1019130613 /nfs/dbraw/zinc/13/06/13/1019130613.db2.gz IAGGCKOQMKJRSE-JTQLQIEISA-N -1 0 303.278 -0.740 20 0 DBADRM NC(=O)c1cc2cc(NC(=O)N3CC(O)(C(=O)[O-])C3)ccc2[nH]1 ZINC001608238992 1019131143 /nfs/dbraw/zinc/13/11/43/1019131143.db2.gz DQGXNSVYJRUXHH-UHFFFAOYSA-N -1 0 318.289 -0.070 20 0 DBADRM NC(=O)c1csc(NC(=O)N[C@@]2(CC(=O)[O-])CCOC2)n1 ZINC001608246111 1019133307 /nfs/dbraw/zinc/13/33/07/1019133307.db2.gz VJAWCABJTWUHCL-LLVKDONJSA-N -1 0 314.323 -0.003 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1 ZINC001608246032 1019133846 /nfs/dbraw/zinc/13/38/46/1019133846.db2.gz ULSRIRTYLGTJMT-CMPLNLGQSA-N -1 0 308.290 -0.477 20 0 DBADRM NC(=O)c1cn(CC(=O)NC[C@H](O)CC(=O)[O-])c2ccccc12 ZINC001608246781 1019134330 /nfs/dbraw/zinc/13/43/30/1019134330.db2.gz BOFYTRKHGXKREL-SECBINFHSA-N -1 0 319.317 -0.308 20 0 DBADRM NC(=O)c1ccc(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)cn1 ZINC001608242928 1019134738 /nfs/dbraw/zinc/13/47/38/1019134738.db2.gz KLTQSXGEGSCWGO-UWVGGRQHSA-N -1 0 307.306 -0.352 20 0 DBADRM NC(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1 ZINC001608244576 1019134860 /nfs/dbraw/zinc/13/48/60/1019134860.db2.gz AOOMIAJNWGYJIC-NSHDSACASA-N -1 0 319.317 -0.409 20 0 DBADRM NC(=O)c1ncn(CC(=O)Nc2ccccc2CC(=O)[O-])n1 ZINC001608247762 1019137231 /nfs/dbraw/zinc/13/72/31/1019137231.db2.gz KUQSNAVFIRRFJT-UHFFFAOYSA-N -1 0 303.278 -0.357 20 0 DBADRM [NH3+]CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(=O)[O-] ZINC001608255792 1019138077 /nfs/dbraw/zinc/13/80/77/1019138077.db2.gz DINKICZSQLBMHC-QMMMGPOBSA-N -1 0 320.298 -0.396 20 0 DBADRM NC(=O)c1ncn(CC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)n1 ZINC001608248865 1019138111 /nfs/dbraw/zinc/13/81/11/1019138111.db2.gz QYXNRINDMNLFGZ-JTQLQIEISA-N -1 0 323.353 -0.226 20 0 DBADRM NS(=O)(=O)CCCC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001608259522 1019139518 /nfs/dbraw/zinc/13/95/18/1019139518.db2.gz NRPRZAZVLZXQEA-UHFFFAOYSA-N -1 0 316.339 -0.898 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(c2cc(C(=O)[O-])ncn2)C1 ZINC001608259943 1019140205 /nfs/dbraw/zinc/14/02/05/1019140205.db2.gz WMCSWDGFGJVTIS-QMMMGPOBSA-N -1 0 300.340 -0.320 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1 ZINC001608259949 1019140273 /nfs/dbraw/zinc/14/02/73/1019140273.db2.gz WQHZZTPTPORGFH-PSASIEDQSA-N -1 0 317.367 -0.520 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001608259876 1019140412 /nfs/dbraw/zinc/14/04/12/1019140412.db2.gz WITYANURTMEDAY-DJLDLDEBSA-N -1 0 305.356 -0.973 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)NCC2(C(=O)[O-])CC2)CC1 ZINC001608258946 1019140686 /nfs/dbraw/zinc/14/06/86/1019140686.db2.gz BHTZWCYTFAJCJF-UHFFFAOYSA-N -1 0 319.383 -0.439 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001608259135 1019140822 /nfs/dbraw/zinc/14/08/22/1019140822.db2.gz IDWGVDXHWCYISJ-BBBLOLIVSA-N -1 0 304.368 -0.376 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1 ZINC001608258578 1019140832 /nfs/dbraw/zinc/14/08/32/1019140832.db2.gz MTMXTVGHDDGBIE-UHFFFAOYSA-N -1 0 316.379 -0.041 20 0 DBADRM NS(=O)(=O)C1(C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC001608257767 1019141310 /nfs/dbraw/zinc/14/13/10/1019141310.db2.gz BQMDXJQQQQZIHP-UHFFFAOYSA-N -1 0 314.319 -0.090 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)/C=C/c2cc(C(=O)[O-])co2)CC1 ZINC001608258146 1019141857 /nfs/dbraw/zinc/14/18/57/1019141857.db2.gz GAQFAZBAQOZWPA-OWOJBTEDSA-N -1 0 314.319 -0.072 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C1 ZINC001608259539 1019142085 /nfs/dbraw/zinc/14/20/85/1019142085.db2.gz ODLLMXPNGAKHLT-IVZWLZJFSA-N -1 0 319.383 -0.298 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@H](CF)C(=O)[O-])s1 ZINC001608261895 1019142880 /nfs/dbraw/zinc/14/28/80/1019142880.db2.gz XERZGZHJMQPPJF-ZCFIWIBFSA-N -1 0 310.328 -0.523 20 0 DBADRM NS(=O)(=O)c1ccc(NC(=O)Cn2ccc(C(=O)[O-])n2)cc1 ZINC001608263105 1019143269 /nfs/dbraw/zinc/14/32/69/1019143269.db2.gz XUCQIFVFIXLRPD-UHFFFAOYSA-N -1 0 324.318 -0.133 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](CC2CC2)C(=O)[O-])C1 ZINC001608260930 1019143710 /nfs/dbraw/zinc/14/37/10/1019143710.db2.gz CWBILKPIWZYNLO-UWVGGRQHSA-N -1 0 319.383 -0.729 20 0 DBADRM NS(=O)(=O)c1ccc(OCC(=O)N[C@H](CF)C(=O)[O-])cc1 ZINC001608262579 1019144077 /nfs/dbraw/zinc/14/40/77/1019144077.db2.gz HUQIVWQBEBDPQS-SECBINFHSA-N -1 0 320.298 -0.748 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)O[C@H](C(=O)[O-])C2CC2)CC1 ZINC001608260940 1019144367 /nfs/dbraw/zinc/14/43/67/1019144367.db2.gz DDAOAMNCZZHSAS-VIFPVBQESA-N -1 0 306.340 -0.692 20 0 DBADRM NS(=O)(=O)NC[C@H]1CCCN(c2ccc(C(=O)[O-])nn2)C1 ZINC001608261495 1019144638 /nfs/dbraw/zinc/14/46/38/1019144638.db2.gz UPOSROWGPHFJJD-MRVPVSSYSA-N -1 0 315.355 -0.816 20 0 DBADRM Nc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1 ZINC001608273313 1019146711 /nfs/dbraw/zinc/14/67/11/1019146711.db2.gz KBIBDURLVIEPKH-SCZZXKLOSA-N -1 0 300.336 -0.275 20 0 DBADRM Nc1c(C(=O)NC[C@@H](O)CC(=O)[O-])cnn1-c1ccccn1 ZINC001608266927 1019148695 /nfs/dbraw/zinc/14/86/95/1019148695.db2.gz NAVFJWVZBVWGTJ-QMMMGPOBSA-N -1 0 305.294 -0.585 20 0 DBADRM Nc1nc(C2CC2)ncc1C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001608275902 1019149012 /nfs/dbraw/zinc/14/90/12/1019149012.db2.gz RFYHIMSHJRJLJE-IUCAKERBSA-N -1 0 306.322 -0.156 20 0 DBADRM O=C(/C=C/CN1CCOCC1)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001608282460 1019150599 /nfs/dbraw/zinc/15/05/99/1019150599.db2.gz VRRBHWGQXHHYAP-GXFZAYBSSA-N -1 0 314.338 -0.793 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@@H]2CC(c3ccccn3)=NO2)C1 ZINC001608279151 1019150956 /nfs/dbraw/zinc/15/09/56/1019150956.db2.gz PSRMQUYQXIVUMI-SMDDNHRTSA-N -1 0 305.290 -0.377 20 0 DBADRM O=C([O-])C1CCN(C(=O)COC(=O)/C=C\Cn2cncn2)CC1 ZINC001608281719 1019150983 /nfs/dbraw/zinc/15/09/83/1019150983.db2.gz MCYVCTDTNDOBHX-UPHRSURJSA-N -1 0 322.321 -0.299 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)CC2(O)CCC2)nc1 ZINC001608291288 1019152058 /nfs/dbraw/zinc/15/20/58/1019152058.db2.gz KLALKYMSCZCZIV-SNVBAGLBSA-N -1 0 324.337 -0.631 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N2CCCc3ccc(F)cc32)C1 ZINC001608278770 1019152452 /nfs/dbraw/zinc/15/24/52/1019152452.db2.gz LWHMZAIIKLZLPC-UHFFFAOYSA-N -1 0 322.292 -0.237 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)/C=C/c1cncc(O)c1 ZINC001608289130 1019152618 /nfs/dbraw/zinc/15/26/18/1019152618.db2.gz QXJPSQWTMYAMGA-FMBMQGQPSA-N -1 0 303.278 -0.339 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC001608280067 1019153238 /nfs/dbraw/zinc/15/32/38/1019153238.db2.gz STHKXUKCUYUGSM-URLYPYJESA-N -1 0 314.305 -0.523 20 0 DBADRM O=C(CCN1CCCC1=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001608308530 1019156454 /nfs/dbraw/zinc/15/64/54/1019156454.db2.gz VTYUSOPHMJWFDM-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCCNC(=O)c1ccsc1 ZINC001608304982 1019156690 /nfs/dbraw/zinc/15/66/90/1019156690.db2.gz LNSBDVATSBOYOQ-VIFPVBQESA-N -1 0 300.336 -0.180 20 0 DBADRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)CCn1cnccc1=O ZINC001608325250 1019157714 /nfs/dbraw/zinc/15/77/14/1019157714.db2.gz PSVZMCRLNXKFBN-GHMZBOCLSA-N -1 0 309.322 -0.228 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001608309521 1019157885 /nfs/dbraw/zinc/15/78/85/1019157885.db2.gz RJVJDAOATCZZHP-KXUCPTDWSA-N -1 0 312.322 -0.887 20 0 DBADRM O=C([O-])c1ccccc1CCC(=O)NC[C@@]1(CO)COCCN1 ZINC001608318489 1019158205 /nfs/dbraw/zinc/15/82/05/1019158205.db2.gz SJDMCDHWUFHRPF-MRXNPFEDSA-N -1 0 322.361 -0.216 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC001608325579 1019158798 /nfs/dbraw/zinc/15/87/98/1019158798.db2.gz NRDHQUKETIDFHN-WMFXKJRFSA-N -1 0 324.333 -0.790 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 ZINC001608325576 1019159371 /nfs/dbraw/zinc/15/93/71/1019159371.db2.gz NRDHQUKETIDFHN-FCHSOHFDSA-N -1 0 324.333 -0.790 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCC(=O)N1CCOCC1 ZINC001608313291 1019159973 /nfs/dbraw/zinc/15/99/73/1019159973.db2.gz HHAKXGDMTRKXDR-WDEREUQCSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)CCn2ccnc2)CC1 ZINC001608324151 1019160188 /nfs/dbraw/zinc/16/01/88/1019160188.db2.gz RTXNPIKDOQJURN-GHMZBOCLSA-N -1 0 320.349 -0.241 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 ZINC001608325578 1019160283 /nfs/dbraw/zinc/16/02/83/1019160283.db2.gz NRDHQUKETIDFHN-IQMDTDKHSA-N -1 0 324.333 -0.790 20 0 DBADRM O=C([O-])c1cn(CCOC(=O)CCn2cnccc2=O)nn1 ZINC001608325284 1019160318 /nfs/dbraw/zinc/16/03/18/1019160318.db2.gz SAJIZYXXFUIAMD-UHFFFAOYSA-N -1 0 307.266 -0.834 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)CCn2cncn2)n1 ZINC001608325482 1019160458 /nfs/dbraw/zinc/16/04/58/1019160458.db2.gz XIWBXTNDFCRZFG-UHFFFAOYSA-N -1 0 319.325 -0.803 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NC[C@@H](CO)CC2CC2)C1=O ZINC001608330338 1019161305 /nfs/dbraw/zinc/16/13/05/1019161305.db2.gz NESXDICPNDTLMS-RYUDHWBXSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C([O-])[C@]1(O)CCN(CC(=O)NC(=O)Nc2ccccc2)C1 ZINC001608327767 1019162141 /nfs/dbraw/zinc/16/21/41/1019162141.db2.gz VPJHBXFEVHQPDT-AWEZNQCLSA-N -1 0 307.306 -0.144 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(CC(=O)NC(=O)NCc2ccccc2)C1 ZINC001608327789 1019162175 /nfs/dbraw/zinc/16/21/75/1019162175.db2.gz VXIKQUVCJITOSY-OAHLLOKOSA-N -1 0 321.333 -0.466 20 0 DBADRM O=C(CN1CCCNC1=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001608330548 1019162339 /nfs/dbraw/zinc/16/23/39/1019162339.db2.gz DUQAVLGHKMWDBP-WDEREUQCSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H](CO)c2cccnc2)C1=O ZINC001608331218 1019162421 /nfs/dbraw/zinc/16/24/21/1019162421.db2.gz RUZGPHFFIYXYKH-RYUDHWBXSA-N -1 0 321.333 -0.446 20 0 DBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001608325944 1019162508 /nfs/dbraw/zinc/16/25/08/1019162508.db2.gz DAHNQMQVFQAARF-RKDXNWHRSA-N -1 0 309.322 -0.312 20 0 DBADRM O=C(CN1CCCCC(=O)C1=O)Nc1nc(C(=O)[O-])ns1 ZINC001608331697 1019163768 /nfs/dbraw/zinc/16/37/68/1019163768.db2.gz UZDITVFLMOABMC-UHFFFAOYSA-N -1 0 312.307 -0.244 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)CN2CCNCC2=O)cc1 ZINC001608333786 1019164697 /nfs/dbraw/zinc/16/46/97/1019164697.db2.gz OUTSGGPWXLTNMQ-UHFFFAOYSA-N -1 0 305.334 -0.525 20 0 DBADRM O=C([O-])c1n[nH]c2c1CN(CC(=O)Nc1cnccn1)CC2 ZINC001608335183 1019164728 /nfs/dbraw/zinc/16/47/28/1019164728.db2.gz OIYJFCKOOLUHPI-UHFFFAOYSA-N -1 0 302.294 -0.105 20 0 DBADRM O=C(COC[C@H]1CCCO1)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001608349042 1019165879 /nfs/dbraw/zinc/16/58/79/1019165879.db2.gz SFTKGRLLAQFIAY-NXEZZACHSA-N -1 0 303.311 -0.486 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)COCC(F)F)n1 ZINC001608347617 1019165931 /nfs/dbraw/zinc/16/59/31/1019165931.db2.gz PHRVZKLUBAEHFH-UHFFFAOYSA-N -1 0 304.253 -0.594 20 0 DBADRM O=C([O-])c1[nH]ccc1OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001608349501 1019166570 /nfs/dbraw/zinc/16/65/70/1019166570.db2.gz HPUCKCGNDAZVGK-SSDOTTSWSA-N -1 0 302.308 -0.605 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NCC1(CO)COC1 ZINC001608348441 1019166865 /nfs/dbraw/zinc/16/68/65/1019166865.db2.gz PTXHLXSGAYGWRQ-UHFFFAOYSA-N -1 0 300.267 -0.986 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)CNC(=O)c2ccccn2)C1(F)F ZINC001608338323 1019167037 /nfs/dbraw/zinc/16/70/37/1019167037.db2.gz FOBYILOJFWAZGW-XVKPBYJWSA-N -1 0 313.260 -0.107 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)COCC(F)F)CC1 ZINC001608347956 1019167536 /nfs/dbraw/zinc/16/75/36/1019167536.db2.gz UMQLZQWEZSYPBT-HTQZYQBOSA-N -1 0 320.292 -0.246 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)Cc2c[nH]cn2)CCC1 ZINC001608369446 1019168660 /nfs/dbraw/zinc/16/86/60/1019168660.db2.gz ZIBGEASWVCAQQC-GHMZBOCLSA-N -1 0 320.349 -0.172 20 0 DBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001608353816 1019169214 /nfs/dbraw/zinc/16/92/14/1019169214.db2.gz CRNDZJNEXRZUNS-XLDPMVHQSA-N -1 0 323.392 -0.999 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)Cc2c[nH]cn2)CCC1 ZINC001608370010 1019169269 /nfs/dbraw/zinc/16/92/69/1019169269.db2.gz RDVGNBXPVORLDX-GHMZBOCLSA-N -1 0 320.349 -0.172 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001608369286 1019169379 /nfs/dbraw/zinc/16/93/79/1019169379.db2.gz KQEZDNUTHOCNHQ-ZDDJMSTPSA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)Cc2cncnc2)C1 ZINC001608369998 1019169399 /nfs/dbraw/zinc/16/93/99/1019169399.db2.gz QTMMCOBTQKKATO-USZNOCQGSA-N -1 0 318.333 -0.497 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)Cc2ccoc2)n1 ZINC001608369148 1019170460 /nfs/dbraw/zinc/17/04/60/1019170460.db2.gz OAOPJPSMFRHNKG-SNVBAGLBSA-N -1 0 320.305 -0.679 20 0 DBADRM O=C([O-])[C@@H](CCF)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC001608354581 1019170628 /nfs/dbraw/zinc/17/06/28/1019170628.db2.gz QIOOAAYVUTZVSH-HTQZYQBOSA-N -1 0 313.372 -0.164 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)Cc2c[nH]cn2)CC1 ZINC001608369832 1019170839 /nfs/dbraw/zinc/17/08/39/1019170839.db2.gz IBINLMZORWCIEL-ZJUUUORDSA-N -1 0 306.322 -0.562 20 0 DBADRM O=C(Cn1c(=O)cnc2ccccc21)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001608373308 1019172171 /nfs/dbraw/zinc/17/21/71/1019172171.db2.gz WHYAEUVCGGIRCW-DXPFQBAHSA-N -1 0 317.301 -0.509 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)Cc2ncc[nH]2)CC1 ZINC001608371289 1019173326 /nfs/dbraw/zinc/17/33/26/1019173326.db2.gz FERLDPIIRHIRSG-GHMZBOCLSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001608376969 1019174608 /nfs/dbraw/zinc/17/46/08/1019174608.db2.gz KEXYCFZVWUUEQM-BDAKNGLRSA-N -1 0 311.294 -0.913 20 0 DBADRM O=C([O-])c1ccn(CC(=O)O[C@H]2C[C@@H](N3CCOCC3)C2)n1 ZINC001608378238 1019175054 /nfs/dbraw/zinc/17/50/54/1019175054.db2.gz FGUGYEQLMJPCAN-PHIMTYICSA-N -1 0 309.322 -0.012 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCCC(=O)Nc2ncc[nH]2)n1 ZINC001608378077 1019175248 /nfs/dbraw/zinc/17/52/48/1019175248.db2.gz QONJETHFPYWLCS-UHFFFAOYSA-N -1 0 306.282 -0.551 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)c1cocn1 ZINC001502779685 1019175487 /nfs/dbraw/zinc/17/54/87/1019175487.db2.gz TXIHZBYDRVZIMD-ZETCQYMHSA-N -1 0 321.293 -0.978 20 0 DBADRM O=C([O-])C1CCN(C(=O)COC(=O)Cn2ccccc2=O)CC1 ZINC001608381101 1019176126 /nfs/dbraw/zinc/17/61/26/1019176126.db2.gz XDHNYIVUJHRVFV-UHFFFAOYSA-N -1 0 322.317 -0.285 20 0 DBADRM O=C(Cn1nnc2c1CCCC2)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001608381292 1019176442 /nfs/dbraw/zinc/17/64/42/1019176442.db2.gz HXGLICHGGJJNRP-JTQLQIEISA-N -1 0 324.337 -0.511 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)Cn1ncc(=O)c2ccccc21 ZINC001608381720 1019176708 /nfs/dbraw/zinc/17/67/08/1019176708.db2.gz UGQFFKSAXQXPIT-IINYFYTJSA-N -1 0 317.301 -0.245 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]2C[C@H]21 ZINC001608382516 1019176821 /nfs/dbraw/zinc/17/68/21/1019176821.db2.gz FXZOXUYALKLGIK-YTWAJWBKSA-N -1 0 316.317 -0.279 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001608404112 1019178568 /nfs/dbraw/zinc/17/85/68/1019178568.db2.gz XCGREICDDILPAB-VHSXEESVSA-N -1 0 304.310 -0.693 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)c1cnn2c1OCCC2 ZINC001608402548 1019178812 /nfs/dbraw/zinc/17/88/12/1019178812.db2.gz IRMRHJXURRJGFX-JTQLQIEISA-N -1 0 305.294 -0.255 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)c1cccc2n[nH]nc21 ZINC001608396997 1019179082 /nfs/dbraw/zinc/17/90/82/1019179082.db2.gz QOGUJVTYHRZZHF-VIFPVBQESA-N -1 0 306.278 -0.096 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2coc3c2C(=O)NCCC3)CCOC1 ZINC001608405025 1019179730 /nfs/dbraw/zinc/17/97/30/1019179730.db2.gz FKYUUMZJLLEZLG-CQSZACIVSA-N -1 0 308.290 -0.071 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2ccc(-n3cnnn3)cn2)CCSC1 ZINC001608405598 1019179936 /nfs/dbraw/zinc/17/99/36/1019179936.db2.gz FJUQOTWYPAEIHG-LBPRGKRZSA-N -1 0 320.334 -0.253 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001608407359 1019181705 /nfs/dbraw/zinc/18/17/05/1019181705.db2.gz CREPFQSRFXVTDM-WRWGMCAJSA-N -1 0 310.350 -0.415 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC001608413088 1019182253 /nfs/dbraw/zinc/18/22/53/1019182253.db2.gz TVCURNCEHDUNHL-SKDRFNHKSA-N -1 0 316.379 -0.118 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC001608411513 1019182324 /nfs/dbraw/zinc/18/23/24/1019182324.db2.gz OJEQGXJRWWINBW-GUBZILKMSA-N -1 0 306.322 -0.117 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2cnccn2)CC1 ZINC001608409417 1019182769 /nfs/dbraw/zinc/18/27/69/1019182769.db2.gz AWGZKZKUBFTFRM-GHMZBOCLSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)N[C@H]2CC=CCC2)CC1 ZINC001608408700 1019182896 /nfs/dbraw/zinc/18/28/96/1019182896.db2.gz JMTOTUDOJQNKBX-NWDGAFQWSA-N -1 0 310.350 -0.105 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccccc2)C1 ZINC001608430921 1019184420 /nfs/dbraw/zinc/18/44/20/1019184420.db2.gz QULMSOXRDZJBQN-VXGBXAGGSA-N -1 0 318.329 -0.290 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@@H](O)[C@@H]2CCCO2)n1 ZINC001608425111 1019185794 /nfs/dbraw/zinc/18/57/94/1019185794.db2.gz SCRXFAOYZJCWIN-ZJUUUORDSA-N -1 0 323.305 -0.626 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)c2ccccn2)n1 ZINC001608425451 1019185818 /nfs/dbraw/zinc/18/58/18/1019185818.db2.gz YIJSGQRCHVPGBN-SECBINFHSA-N -1 0 317.305 -0.806 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)c3cccnn3)CC2)n1 ZINC001608429412 1019185868 /nfs/dbraw/zinc/18/58/68/1019185868.db2.gz BRMPYQTXHFYWJN-UHFFFAOYSA-N -1 0 314.305 -0.239 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCOC1 ZINC001608427636 1019185960 /nfs/dbraw/zinc/18/59/60/1019185960.db2.gz AAGLRNNOIDAIJP-LKFCYVNXSA-N -1 0 322.321 -0.630 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)C2CC3(CC3)C2)C1 ZINC001608429846 1019186089 /nfs/dbraw/zinc/18/60/89/1019186089.db2.gz GJMRMSQOESYNND-GHMZBOCLSA-N -1 0 322.361 -0.413 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)C2=CCCC2)n1 ZINC001608424347 1019186171 /nfs/dbraw/zinc/18/61/71/1019186171.db2.gz LWEFGSISHIJCOI-JTQLQIEISA-N -1 0 306.322 -0.404 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C1CCS(=O)(=O)CC1)[C@H]1CCOC1 ZINC001608419717 1019186274 /nfs/dbraw/zinc/18/62/74/1019186274.db2.gz YDEIKIIRMAVPAR-QWRGUYRKSA-N -1 0 319.379 -0.335 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NCC[C@@]1(O)CCOC1 ZINC001608438482 1019188965 /nfs/dbraw/zinc/18/89/65/1019188965.db2.gz JMWKXVCKCNYNOF-OAHLLOKOSA-N -1 0 322.317 -0.019 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)NCC2CC=CC2)CC1 ZINC001608432239 1019189005 /nfs/dbraw/zinc/18/90/05/1019189005.db2.gz LGMJZVZXRJANGA-GFCCVEGCSA-N -1 0 310.350 -0.247 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2n[nH]cc2F)C1 ZINC001608438052 1019189223 /nfs/dbraw/zinc/18/92/23/1019189223.db2.gz GJANIFGZQKNOAK-HTQZYQBOSA-N -1 0 310.285 -0.542 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCS1 ZINC001608433937 1019189493 /nfs/dbraw/zinc/18/94/93/1019189493.db2.gz FZPLWXKITQAVOH-OPRDCNLKSA-N -1 0 316.379 -0.396 20 0 DBADRM O=C([O-])c1nccc(NCC=CCNC(=O)c2csnn2)n1 ZINC001608437413 1019189601 /nfs/dbraw/zinc/18/96/01/1019189601.db2.gz WWHCTGLPPSPUPI-OWOJBTEDSA-N -1 0 320.334 -0.154 20 0 DBADRM O=C([O-])C12CC(C(=O)N3CCC(C(=O)NCCCO)CC3)(C1)C2 ZINC001608443990 1019190861 /nfs/dbraw/zinc/19/08/61/1019190861.db2.gz CTTDWIIVYCLUAG-UHFFFAOYSA-N -1 0 324.377 -0.022 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)c2cncnc2)n1 ZINC001608444637 1019190868 /nfs/dbraw/zinc/19/08/68/1019190868.db2.gz MVWSULQYESEXHO-UHFFFAOYSA-N -1 0 302.294 -0.381 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCNC(=O)c2cnccn2)o1 ZINC001608445992 1019191402 /nfs/dbraw/zinc/19/14/02/1019191402.db2.gz VHOKWRWVXFAAHJ-UHFFFAOYSA-N -1 0 304.262 -0.072 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)c2cccnn2)n1 ZINC001608444603 1019191575 /nfs/dbraw/zinc/19/15/75/1019191575.db2.gz KSFYRXVOWCWGNJ-UHFFFAOYSA-N -1 0 302.294 -0.381 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC001608460189 1019192316 /nfs/dbraw/zinc/19/23/16/1019192316.db2.gz BBICKOVULBQGBA-OPVBNTEQSA-N -1 0 324.255 -0.651 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001608457426 1019192344 /nfs/dbraw/zinc/19/23/44/1019192344.db2.gz LMWZRLAOTOXOMI-SFYZADRCSA-N -1 0 313.289 -0.517 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1ccccc1CN1CCOCC1 ZINC001608459842 1019192584 /nfs/dbraw/zinc/19/25/84/1019192584.db2.gz VJURVFAZXOLYDG-ZDUSSCGKSA-N -1 0 308.334 -0.306 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(F)(F)CC1 ZINC001608458315 1019193419 /nfs/dbraw/zinc/19/34/19/1019193419.db2.gz ILUKVRXBIVTNNT-RKDXNWHRSA-N -1 0 320.292 -0.150 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC001608461000 1019194127 /nfs/dbraw/zinc/19/41/27/1019194127.db2.gz PRMRQGFONPITBJ-IJLUTSLNSA-N -1 0 320.349 -0.117 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001608491341 1019194988 /nfs/dbraw/zinc/19/49/88/1019194988.db2.gz ADMFYGREYMBNNO-QCLAVDOMSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)c2cnon2)CC1 ZINC001608489157 1019195215 /nfs/dbraw/zinc/19/52/15/1019195215.db2.gz MNHKFKAMBCERCE-AATLWQCWSA-N -1 0 322.321 -0.053 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2cnns2)C1 ZINC001608491543 1019196614 /nfs/dbraw/zinc/19/66/14/1019196614.db2.gz LFJCQCYNLVARSQ-YWIQKCBGSA-N -1 0 310.335 -0.364 20 0 DBADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C(=O)N[C@H]1CNOC1)CC2 ZINC001608492118 1019196829 /nfs/dbraw/zinc/19/68/29/1019196829.db2.gz LFZIVWJXVYWFHY-LBPRGKRZSA-N -1 0 319.317 -0.711 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)N1CC[C@@H]3CC[C@@H](O)[C@@H]31)C2 ZINC001608491996 1019197006 /nfs/dbraw/zinc/19/70/06/1019197006.db2.gz RIPXNSSQPDVMLZ-MROSYCPSSA-N -1 0 322.361 -0.272 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)c2cnon2)CC1 ZINC001608489158 1019197476 /nfs/dbraw/zinc/19/74/76/1019197476.db2.gz MNHKFKAMBCERCE-KYXWUPHJSA-N -1 0 322.321 -0.053 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)C(=O)N3CC[C@@]4(O)C[C@H]4C3)[C@@H]2C1 ZINC001608492551 1019197723 /nfs/dbraw/zinc/19/77/23/1019197723.db2.gz KSFNLIZXRAQBNU-QRDMOWSJSA-N -1 0 322.361 -0.415 20 0 DBADRM O=C([O-])c1c(NC(=O)NC2CC(CO)(CO)C2)nc2n1CCC2 ZINC001608526949 1019199638 /nfs/dbraw/zinc/19/96/38/1019199638.db2.gz PECLGPYGULBPBN-UHFFFAOYSA-N -1 0 324.337 -0.218 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)C1(c2ccccn2)CC1 ZINC001608543318 1019199661 /nfs/dbraw/zinc/19/96/61/1019199661.db2.gz LJTGNHQHIDIWEE-JTQLQIEISA-N -1 0 301.306 -0.026 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)C1(N2CCOCC2)CCC1 ZINC001608543271 1019199908 /nfs/dbraw/zinc/19/99/08/1019199908.db2.gz KMUIQHGIGSMPOT-LLVKDONJSA-N -1 0 323.353 -0.898 20 0 DBADRM O=C([O-])[C@H](CNS(=O)(=O)C[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC001608539226 1019200730 /nfs/dbraw/zinc/20/07/30/1019200730.db2.gz YBKOLJRZRIKCBB-GMTAPVOTSA-N -1 0 307.368 -0.320 20 0 DBADRM O=C([O-])[C@@H](CCF)NS(=O)(=O)CCOC1CCOCC1 ZINC001608537649 1019201433 /nfs/dbraw/zinc/20/14/33/1019201433.db2.gz YMHCIHAZQAZTRT-SNVBAGLBSA-N -1 0 313.347 -0.086 20 0 DBADRM O=C([O-])[C@H](CF)NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC001608533336 1019202197 /nfs/dbraw/zinc/20/21/97/1019202197.db2.gz LDFZFEKZPBTZBE-LURJTMIESA-N -1 0 322.245 -0.039 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC001608555638 1019203564 /nfs/dbraw/zinc/20/35/64/1019203564.db2.gz XOLUVZKEYOJGAW-ZYHUDNBSSA-N -1 0 323.353 -0.690 20 0 DBADRM O=C([O-])[C@H](c1ccsc1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001608562842 1019203885 /nfs/dbraw/zinc/20/38/85/1019203885.db2.gz RMYIAPHRSXRSAT-ZJUUUORDSA-N -1 0 317.392 -0.292 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)c2cnc3n2CCOC3)CC1 ZINC001608556421 1019204532 /nfs/dbraw/zinc/20/45/32/1019204532.db2.gz AUABSNKJFVCUCB-LBPRGKRZSA-N -1 0 309.322 -0.289 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(S(=O)(=O)C[C@@H]2CCCOC2)CC1 ZINC001608559101 1019205233 /nfs/dbraw/zinc/20/52/33/1019205233.db2.gz YRHUTQSRRZVUJT-PWSUYJOCSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)NOC[C@@H]2CCOC2)CC1 ZINC001608556280 1019205525 /nfs/dbraw/zinc/20/55/25/1019205525.db2.gz ZIFMJIAYZAXJIN-MWLCHTKSSA-N -1 0 302.327 -0.178 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)C2(N3CCOCC3)CCC2)CC1 ZINC001608578404 1019206748 /nfs/dbraw/zinc/20/67/48/1019206748.db2.gz USUHRZWEMLJPBY-UHFFFAOYSA-N -1 0 312.366 -0.321 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(Cc3cc(=O)c(O)co3)CC2)CCOC1 ZINC001608575162 1019209174 /nfs/dbraw/zinc/20/91/74/1019209174.db2.gz FLFXBPHUKIBLJG-OAHLLOKOSA-N -1 0 324.333 -0.293 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC001608580068 1019209326 /nfs/dbraw/zinc/20/93/26/1019209326.db2.gz YTGPTUIRPWBNGM-UHFFFAOYSA-N -1 0 306.727 -0.304 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)CC[C@H]2CCCCO2)C1 ZINC001608578380 1019210033 /nfs/dbraw/zinc/21/00/33/1019210033.db2.gz FOUBHKQAYWDIOV-PWSUYJOCSA-N -1 0 307.368 -0.203 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H](O)C2CCOCC2)CC1 ZINC001608573382 1019210071 /nfs/dbraw/zinc/21/00/71/1019210071.db2.gz HVNSZXBUHYJXPL-SNVBAGLBSA-N -1 0 307.368 -0.442 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1cncc(-n2ccnn2)c1 ZINC001608594397 1019211231 /nfs/dbraw/zinc/21/12/31/1019211231.db2.gz FWVGKHRBMDQMOI-VXGBXAGGSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)C1 ZINC001608586956 1019211441 /nfs/dbraw/zinc/21/14/41/1019211441.db2.gz NSXZMIFGZUGDMB-QJPTWQEYSA-N -1 0 318.333 -0.294 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)C3(CO)CCOCC3)C2)C1 ZINC001608591177 1019211852 /nfs/dbraw/zinc/21/18/52/1019211852.db2.gz KFEKGEJWXZOVNY-CQSZACIVSA-N -1 0 312.322 -0.393 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 ZINC001608588649 1019213442 /nfs/dbraw/zinc/21/34/42/1019213442.db2.gz KGKDYOIOKYAQME-CQSZACIVSA-N -1 0 309.322 -0.169 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CC[C@@H](C3CC3)C2)C1 ZINC001608601454 1019214698 /nfs/dbraw/zinc/21/46/98/1019214698.db2.gz KWIVRNBAQIPVAQ-IJLUTSLNSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2c[nH]cc(Cl)c2=O)C1 ZINC001608602468 1019215530 /nfs/dbraw/zinc/21/55/30/1019215530.db2.gz UFENVWPBIFYFKC-RQJHMYQMSA-N -1 0 300.698 -0.064 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC(F)(F)CC2)C1 ZINC001608602319 1019215705 /nfs/dbraw/zinc/21/57/05/1019215705.db2.gz PKVWLXQICZGNSX-IUCAKERBSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC001608597794 1019215887 /nfs/dbraw/zinc/21/58/87/1019215887.db2.gz NBDGRTNYRYFHFD-MXWKQRLJSA-N -1 0 316.379 -0.472 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1ccc2c(n1)OCCO2 ZINC001608598507 1019216551 /nfs/dbraw/zinc/21/65/51/1019216551.db2.gz XIVLLUFXKDTRHX-KOLCDFICSA-N -1 0 308.290 -0.097 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)N2CCCC3(CC3)C2)C1 ZINC001608601920 1019216891 /nfs/dbraw/zinc/21/68/91/1019216891.db2.gz NKKAEFLSWXBJSH-QWRGUYRKSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)CCCn2ccccc2=O)C1 ZINC001608603759 1019217715 /nfs/dbraw/zinc/21/77/15/1019217715.db2.gz ZYBQJBBQWZBHLB-NEPJUHHUSA-N -1 0 308.334 -0.078 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)Cn2cccn2)CC1 ZINC001608609613 1019218312 /nfs/dbraw/zinc/21/83/12/1019218312.db2.gz BGXQXRYKVNQBRM-RYUDHWBXSA-N -1 0 320.349 -0.335 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCCOC[C@H]2CCOC2)C1 ZINC001608606980 1019218533 /nfs/dbraw/zinc/21/85/33/1019218533.db2.gz VZFHDFLUSNXGPR-TUAOUCFPSA-N -1 0 316.354 -0.484 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)Cn2ccnc2)CC1 ZINC001608609480 1019218613 /nfs/dbraw/zinc/21/86/13/1019218613.db2.gz AUXVXHIAORZUFI-MNOVXSKESA-N -1 0 306.322 -0.725 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)Cn2cccn2)CC1 ZINC001608609414 1019218873 /nfs/dbraw/zinc/21/88/73/1019218873.db2.gz ABQWKCQNAOWCMD-WDEREUQCSA-N -1 0 306.322 -0.725 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCc2nnnn2CC2CC2)C1 ZINC001608605382 1019219012 /nfs/dbraw/zinc/21/90/12/1019219012.db2.gz PZBUXCRPLHUYSW-ZJUUUORDSA-N -1 0 324.341 -0.940 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)Nc2nc3n(n2)CCCC3)C1 ZINC001608603545 1019219312 /nfs/dbraw/zinc/21/93/12/1019219312.db2.gz FPMXPYUZRQWOCX-IUCAKERBSA-N -1 0 309.326 -0.086 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCCC(F)(F)C2)C1 ZINC001608603147 1019219437 /nfs/dbraw/zinc/21/94/37/1019219437.db2.gz VXRJRLKZBKJVOT-BDAKNGLRSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(C(=O)C1=NN(CCO)C(=O)CC1)CC2 ZINC001608607023 1019220182 /nfs/dbraw/zinc/22/01/82/1019220182.db2.gz XIXUTERIWCHGCA-SNVBAGLBSA-N -1 0 323.349 -0.330 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)c1cc[nH]c1 ZINC001608609595 1019220224 /nfs/dbraw/zinc/22/02/24/1019220224.db2.gz CPBNMBFGLBHVBW-QWRGUYRKSA-N -1 0 309.322 -0.714 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc[nH]1 ZINC001608610655 1019220796 /nfs/dbraw/zinc/22/07/96/1019220796.db2.gz JZKCALSGFMTWOD-LMLFDSFASA-N -1 0 318.333 -0.054 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)C1=CCCC1 ZINC001608609994 1019221206 /nfs/dbraw/zinc/22/12/06/1019221206.db2.gz GSIGOPHYWRMQGL-VXGBXAGGSA-N -1 0 310.350 -0.246 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)C1=CCCC1 ZINC001608609993 1019221229 /nfs/dbraw/zinc/22/12/29/1019221229.db2.gz GSIGOPHYWRMQGL-RYUDHWBXSA-N -1 0 310.350 -0.246 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)c2cccnn2)CC1 ZINC001608609858 1019222186 /nfs/dbraw/zinc/22/21/86/1019222186.db2.gz DUJJGQMOKDPQLP-WDEREUQCSA-N -1 0 318.333 -0.128 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cnc3n2CCC3)C1 ZINC001608609679 1019222265 /nfs/dbraw/zinc/22/22/65/1019222265.db2.gz CUEUTJPNZHXQMB-NXEZZACHSA-N -1 0 318.333 -0.509 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)C2CCOCC2)C1 ZINC001608610845 1019222920 /nfs/dbraw/zinc/22/29/20/1019222920.db2.gz LDBBDPNICBXSBH-RYUDHWBXSA-N -1 0 310.350 -0.292 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001608610310 1019223055 /nfs/dbraw/zinc/22/30/55/1019223055.db2.gz HYGLQHHFOCWJDP-ZJUUUORDSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1ccccn1 ZINC001608610983 1019223105 /nfs/dbraw/zinc/22/31/05/1019223105.db2.gz OQNMTFCGJOVBMF-GHMZBOCLSA-N -1 0 321.333 -0.647 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(Cc2noc(C3CC3)n2)C1 ZINC001608611746 1019225660 /nfs/dbraw/zinc/22/56/60/1019225660.db2.gz RAQLTRMZUFZQGV-NXEZZACHSA-N -1 0 306.322 -0.032 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)C=C2CCC2)C1 ZINC001608611002 1019225744 /nfs/dbraw/zinc/22/57/44/1019225744.db2.gz MPEWEWWGIMKVJQ-GHMZBOCLSA-N -1 0 308.334 -0.493 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]21 ZINC001608611626 1019226234 /nfs/dbraw/zinc/22/62/34/1019226234.db2.gz UMWPFIFKSOXIJI-CDDJKKQXSA-N -1 0 304.306 -0.683 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001608612006 1019226275 /nfs/dbraw/zinc/22/62/75/1019226275.db2.gz XIEVXNSODNNDQU-QLHLUDRRSA-N -1 0 322.361 -0.390 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)CCc2ncccn2)C1 ZINC001608611816 1019226356 /nfs/dbraw/zinc/22/63/56/1019226356.db2.gz RNCXVRZOOICYQB-WDEREUQCSA-N -1 0 318.333 -0.543 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]2C(=O)N(Cc3nnnn3C3CC3)C(=O)N2C1 ZINC001608619942 1019228085 /nfs/dbraw/zinc/22/80/85/1019228085.db2.gz BZWJWZQUVHEWOE-APPZFPTMSA-N -1 0 320.309 -0.365 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCOC2(CN(C(=O)C(F)F)C2)C1 ZINC001608612376 1019228490 /nfs/dbraw/zinc/22/84/90/1019228490.db2.gz VEJXEFISLCYEAE-JGVFFNPUSA-N -1 0 318.276 -0.588 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CCN(C(=O)c2cnon2)CC1 ZINC001608612718 1019228768 /nfs/dbraw/zinc/22/87/68/1019228768.db2.gz ZGSXZUAEARFBNY-ZJUUUORDSA-N -1 0 322.321 -0.241 20 0 DBADRM O=C([O-])C1CC2(C1)C[C@H](NC(=O)N1CCOCCN1)CCO2 ZINC001608613624 1019229524 /nfs/dbraw/zinc/22/95/24/1019229524.db2.gz RSEWQNBPWQXKGT-IQLKVPPVSA-N -1 0 313.354 -0.055 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]2C(=O)N(C[C@@H]3CCCNC3=O)C(=O)N2C1 ZINC001608620911 1019229891 /nfs/dbraw/zinc/22/98/91/1019229891.db2.gz VSANGCJRPRBPAS-AEJSXWLSSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)NCC1(CO)COC1 ZINC001608625965 1019230806 /nfs/dbraw/zinc/23/08/06/1019230806.db2.gz DAIQLOJZAFNHSD-VHSXEESVSA-N -1 0 307.368 -0.442 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)NCCCOCCO ZINC001608626102 1019230994 /nfs/dbraw/zinc/23/09/94/1019230994.db2.gz FXCDOAXYKJNIBF-WDEREUQCSA-N -1 0 309.384 -0.052 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCO[C@@H](CCF)C2)C1=O ZINC001608629831 1019231570 /nfs/dbraw/zinc/23/15/70/1019231570.db2.gz SYSXRZBBRIAAMR-WDEREUQCSA-N -1 0 316.329 -0.103 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)NCCCOCCO ZINC001608626101 1019231671 /nfs/dbraw/zinc/23/16/71/1019231671.db2.gz FXCDOAXYKJNIBF-QWRGUYRKSA-N -1 0 309.384 -0.052 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCC[C@](O)(CO)C1 ZINC001608626930 1019231890 /nfs/dbraw/zinc/23/18/90/1019231890.db2.gz PHBKWXSCMNXQTP-NQBHXWOUSA-N -1 0 321.395 -0.221 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC001608630754 1019232176 /nfs/dbraw/zinc/23/21/76/1019232176.db2.gz ZKPQPQKESMMBAW-WRWORJQWSA-N -1 0 324.255 -0.555 20 0 DBADRM O=C([O-])[C@H]1CN(Cn2nnc3cc(F)ccc3c2=O)CCO1 ZINC001608645455 1019233382 /nfs/dbraw/zinc/23/33/82/1019233382.db2.gz VCMTZNXCZWBXFS-LLVKDONJSA-N -1 0 308.269 -0.327 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CC(n3ccnc3)C2)CC1 ZINC001608635116 1019233834 /nfs/dbraw/zinc/23/38/34/1019233834.db2.gz XMYBEHCTHGBDGR-UHFFFAOYSA-N -1 0 314.367 -0.219 20 0 DBADRM O=C([O-])[C@H]1CCS(=O)(=O)N1Cc1nnc2n1CCCCC2 ZINC001608641738 1019233972 /nfs/dbraw/zinc/23/39/72/1019233972.db2.gz XQVJJQYFCOQGQP-SECBINFHSA-N -1 0 314.367 -0.007 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2[C@@H]2COC3(CCC3)C2)CCO1 ZINC001608645910 1019234210 /nfs/dbraw/zinc/23/42/10/1019234210.db2.gz DXNLFRDPGGDVMI-UWVGGRQHSA-N -1 0 309.326 -0.153 20 0 DBADRM O=C([O-])[C@@H]1CCS(=O)(=O)N1Cc1nnc2n1CCCCC2 ZINC001608641739 1019234507 /nfs/dbraw/zinc/23/45/07/1019234507.db2.gz XQVJJQYFCOQGQP-VIFPVBQESA-N -1 0 314.367 -0.007 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001608647783 1019235134 /nfs/dbraw/zinc/23/51/34/1019235134.db2.gz YVEFHKFRBIKWLP-IMSYWVGJSA-N -1 0 303.336 -0.736 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1cn(-c2cccnc2)nn1 ZINC001608647376 1019235252 /nfs/dbraw/zinc/23/52/52/1019235252.db2.gz GAOZHORHLGVPIY-LLVKDONJSA-N -1 0 303.278 -0.412 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1nnc2n1CCCC2 ZINC001608648374 1019235743 /nfs/dbraw/zinc/23/57/43/1019235743.db2.gz XZDUOJNCVGKAHB-SECBINFHSA-N -1 0 314.367 -0.702 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)COC(F)(F)F ZINC001608647531 1019235836 /nfs/dbraw/zinc/23/58/36/1019235836.db2.gz BIJUNAGQTCTEAF-YFKPBYRVSA-N -1 0 305.230 -0.767 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cnn(CCF)c1 ZINC001608647870 1019236238 /nfs/dbraw/zinc/23/62/38/1019236238.db2.gz DLBMHTNBZXVEJM-SECBINFHSA-N -1 0 319.314 -0.824 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)C(=O)N2CCC[C@H](O)C2)C1 ZINC001608647883 1019236343 /nfs/dbraw/zinc/23/63/43/1019236343.db2.gz FEOCUOPDSJAJKK-UWVGGRQHSA-N -1 0 316.379 -0.754 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)CN2CCOCC2=O)C1 ZINC001608648446 1019236359 /nfs/dbraw/zinc/23/63/59/1019236359.db2.gz ZXRVMWMWILVNRU-SECBINFHSA-N -1 0 302.352 -0.879 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCCSC1 ZINC001608647765 1019236394 /nfs/dbraw/zinc/23/63/94/1019236394.db2.gz WAAOJBQSVJBLMI-RKDXNWHRSA-N -1 0 307.393 -0.160 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)c1cnn(C[C@H](O)CO)c1)C1CC1 ZINC001608667426 1019236781 /nfs/dbraw/zinc/23/67/81/1019236781.db2.gz FWFNMNXLJJPZMV-PWSUYJOCSA-N -1 0 311.338 -0.533 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC001608675086 1019237178 /nfs/dbraw/zinc/23/71/78/1019237178.db2.gz FVRANLZHPGHZSX-SECBINFHSA-N -1 0 306.282 -0.381 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)CN1C(=O)CCc2ccccc21 ZINC001608675333 1019237404 /nfs/dbraw/zinc/23/74/04/1019237404.db2.gz FDONVDIWTSQMOV-NSHDSACASA-N -1 0 306.318 -0.082 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC001608674976 1019237442 /nfs/dbraw/zinc/23/74/42/1019237442.db2.gz AIWBSJGXFHSFFH-LRDDRELGSA-N -1 0 320.345 -0.214 20 0 DBADRM O=C([O-])/C=C\c1ccc(C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)o1 ZINC001608656869 1019237870 /nfs/dbraw/zinc/23/78/70/1019237870.db2.gz CTHIKGJHQZOCOV-FIFYQCSRSA-N -1 0 320.301 -0.300 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1CCO)C1CC1 ZINC001608664884 1019238542 /nfs/dbraw/zinc/23/85/42/1019238542.db2.gz NDECOMNKHYFDAM-VXGBXAGGSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])CC(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001608664559 1019238718 /nfs/dbraw/zinc/23/87/18/1019238718.db2.gz YMORNVWZJZTTAN-UHFFFAOYSA-N -1 0 307.306 -0.990 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1cccc2c1OCC2 ZINC001608675849 1019239639 /nfs/dbraw/zinc/23/96/39/1019239639.db2.gz LIVHAMOPMOFHJL-VIFPVBQESA-N -1 0 308.290 -0.488 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC001608676257 1019239691 /nfs/dbraw/zinc/23/96/91/1019239691.db2.gz QBDSMRNBXVAILG-JTQLQIEISA-N -1 0 316.260 -0.354 20 0 DBADRM O=C([O-])CC1(CNS(=O)(=O)[C@@H]2COC[C@H]2O)CCCC1 ZINC001608680118 1019239933 /nfs/dbraw/zinc/23/99/33/1019239933.db2.gz KXCWKEHVIWXYLE-NXEZZACHSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)CNC(=O)Cc1ccc(O)cc1 ZINC001608676592 1019240327 /nfs/dbraw/zinc/24/03/27/1019240327.db2.gz WRWSTEMFNPEADW-NSHDSACASA-N -1 0 310.306 -0.997 20 0 DBADRM O=C([O-])CC1(NC(=O)C(=O)Nc2ccc3ncnn3c2)CC1 ZINC001608682418 1019240438 /nfs/dbraw/zinc/24/04/38/1019240438.db2.gz SYBWCNGBEDRVBO-UHFFFAOYSA-N -1 0 303.278 -0.209 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)c1cncc(N2CCCC2=O)c1 ZINC001608676073 1019240470 /nfs/dbraw/zinc/24/04/70/1019240470.db2.gz VIUDEQAIBHXSKY-NSHDSACASA-N -1 0 307.306 -0.226 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)c1cncc(N2CCOCC2)c1 ZINC001608676003 1019240526 /nfs/dbraw/zinc/24/05/26/1019240526.db2.gz SXJAWIWIIHZAJA-LBPRGKRZSA-N -1 0 309.322 -0.516 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cnc2n[nH]cc2c1 ZINC001608689325 1019243034 /nfs/dbraw/zinc/24/30/34/1019243034.db2.gz BISOCVRHLQCBGD-VIFPVBQESA-N -1 0 303.278 -0.627 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)C1 ZINC001608690598 1019243136 /nfs/dbraw/zinc/24/31/36/1019243136.db2.gz TTYSMFFJMWECNP-QKFMDRJYSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCn2cncc2C1 ZINC001608689469 1019243196 /nfs/dbraw/zinc/24/31/96/1019243196.db2.gz WTBKGXIWOKGZRY-KOLCDFICSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cn1ccc(C(F)F)n1 ZINC001608689915 1019243236 /nfs/dbraw/zinc/24/32/36/1019243236.db2.gz RTCRVKFGPJODMP-MRVPVSSYSA-N -1 0 316.264 -0.378 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCC[C@]2(O)CCCOC2)CCO1 ZINC001608699215 1019245252 /nfs/dbraw/zinc/24/52/52/1019245252.db2.gz CXVVVNJUTNKREW-BXUZGUMPSA-N -1 0 316.354 -0.197 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCc2nccs2)CCO1 ZINC001608698396 1019245385 /nfs/dbraw/zinc/24/53/85/1019245385.db2.gz CRCWAVVZOMRMEQ-QMMMGPOBSA-N -1 0 313.335 -0.539 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCCOCC2CC2)CCO1 ZINC001608698699 1019245456 /nfs/dbraw/zinc/24/54/56/1019245456.db2.gz LTXSJQXYXOYIRR-NSHDSACASA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NCC[C@@]2(O)CCCOC2)CCO1 ZINC001608699216 1019245780 /nfs/dbraw/zinc/24/57/80/1019245780.db2.gz CXVVVNJUTNKREW-FZMZJTMJSA-N -1 0 316.354 -0.197 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC001608698377 1019245954 /nfs/dbraw/zinc/24/59/54/1019245954.db2.gz CGAOIVCLZDOUNE-UWVGGRQHSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)c1cncc(-n2ccnn2)c1 ZINC001608701250 1019246336 /nfs/dbraw/zinc/24/63/36/1019246336.db2.gz SYZAOAQWYBPAKS-LBPRGKRZSA-N -1 0 317.305 -0.022 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CC(OCC(F)F)C1 ZINC001608712681 1019247532 /nfs/dbraw/zinc/24/75/32/1019247532.db2.gz JCDIWAFLMXPZMV-UHFFFAOYSA-N -1 0 308.281 -0.150 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N[C@H]1CC12CC(O)C2 ZINC001574729812 1019247954 /nfs/dbraw/zinc/24/79/54/1019247954.db2.gz HQWQPVZYEWQVRC-QUNCOHTASA-N -1 0 302.327 -0.683 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ncccc1F ZINC001608702917 1019248049 /nfs/dbraw/zinc/24/80/49/1019248049.db2.gz DNGLUTQSSOZBJH-MRVPVSSYSA-N -1 0 316.310 -0.065 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574731661 1019248424 /nfs/dbraw/zinc/24/84/24/1019248424.db2.gz TUKQMLPCRJGCAM-OQEOFVATSA-N -1 0 314.338 -0.421 20 0 DBADRM O=C([O-])C[C@H]1CN(c2nnnn2CCCOC(F)F)CCO1 ZINC001608702076 1019249131 /nfs/dbraw/zinc/24/91/31/1019249131.db2.gz YTVRTGKEKHIPEN-QMMMGPOBSA-N -1 0 321.284 -0.018 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CCO[C@@H](Cn3ccnn3)C2)C1=O ZINC001608722926 1019250077 /nfs/dbraw/zinc/25/00/77/1019250077.db2.gz DHZJXUUVBPIWBC-VXGBXAGGSA-N -1 0 323.353 -0.946 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CCO[C@@H](Cn3ccnn3)C2)C1=O ZINC001608722923 1019250555 /nfs/dbraw/zinc/25/05/55/1019250555.db2.gz DHZJXUUVBPIWBC-NEPJUHHUSA-N -1 0 323.353 -0.946 20 0 DBADRM O=C([O-])CCCc1nc(CN2CC(=O)NCC23COC3)no1 ZINC001608719034 1019250643 /nfs/dbraw/zinc/25/06/43/1019250643.db2.gz QPQQUSCWVQYHJM-UHFFFAOYSA-N -1 0 310.310 -0.822 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CCO[C@H](Cn3ccnn3)C2)C1=O ZINC001608722924 1019250796 /nfs/dbraw/zinc/25/07/96/1019250796.db2.gz DHZJXUUVBPIWBC-NWDGAFQWSA-N -1 0 323.353 -0.946 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NC1CCN(CC(F)F)CC1 ZINC001608714377 1019251044 /nfs/dbraw/zinc/25/10/44/1019251044.db2.gz MXNPSNWRQDRSGS-UHFFFAOYSA-N -1 0 321.324 -0.187 20 0 DBADRM O=C([O-])CCN1CC[C@H]([NH+]2CCC(c3n[nH]c(=O)[n-]3)CC2)C1=O ZINC001608723290 1019251647 /nfs/dbraw/zinc/25/16/47/1019251647.db2.gz LJBSHLKKFPFMBN-JTQLQIEISA-N -1 0 323.353 -0.235 20 0 DBADRM O=C([O-])CCN1CCC[C@H](N2CCN3C(=O)OC[C@@H]3C2)C1=O ZINC001608725004 1019251714 /nfs/dbraw/zinc/25/17/14/1019251714.db2.gz BXMUZTYFSWCGKD-QWRGUYRKSA-N -1 0 311.338 -0.412 20 0 DBADRM O=C([O-])CCN1CCC[C@H](N2CCN3C(=O)NC[C@@H]3C2)C1=O ZINC001608726036 1019251853 /nfs/dbraw/zinc/25/18/53/1019251853.db2.gz YZVCNMDFCYENFI-MNOVXSKESA-N -1 0 310.354 -0.839 20 0 DBADRM O=C([O-])CCNC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1 ZINC001608726960 1019252433 /nfs/dbraw/zinc/25/24/33/1019252433.db2.gz YRBQVGWCEKYDJA-UHFFFAOYSA-N -1 0 322.317 -0.039 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cccc2ncnn21 ZINC001608728540 1019256544 /nfs/dbraw/zinc/25/65/44/1019256544.db2.gz KJJMPEYZFKXYKX-UHFFFAOYSA-N -1 0 305.294 -0.560 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCc1nnc2n1CCC2 ZINC001608728163 1019256798 /nfs/dbraw/zinc/25/67/98/1019256798.db2.gz SVOPJDMXJLWYNV-UHFFFAOYSA-N -1 0 324.341 -0.996 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@@H]1CCCC[C@H]1O ZINC001608728151 1019256982 /nfs/dbraw/zinc/25/69/82/1019256982.db2.gz SJCKIYYIYAUDSU-NXEZZACHSA-N -1 0 301.343 -0.430 20 0 DBADRM O=C([O-])CCNC(=O)CCNc1nnnn1-c1ccccc1 ZINC001608729172 1019257184 /nfs/dbraw/zinc/25/71/84/1019257184.db2.gz KNKSUGSTARCSGK-UHFFFAOYSA-N -1 0 304.310 -0.523 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1cc2c(cn1)OCCO2 ZINC001608729438 1019257192 /nfs/dbraw/zinc/25/71/92/1019257192.db2.gz KIPLCXWLOIAEDX-UHFFFAOYSA-N -1 0 310.262 -0.400 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1ccc(-n2cncn2)nc1 ZINC001608729820 1019257532 /nfs/dbraw/zinc/25/75/32/1019257532.db2.gz XCXIXJYSEALGGV-UHFFFAOYSA-N -1 0 319.277 -0.590 20 0 DBADRM O=C([O-])CCNC(=O)CCNc1cncc(-n2cncn2)n1 ZINC001608729224 1019257919 /nfs/dbraw/zinc/25/79/19/1019257919.db2.gz MEZKROWFABQKDP-UHFFFAOYSA-N -1 0 305.298 -0.550 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@@H]1COC[C@H]1C1CC1 ZINC001608728049 1019258158 /nfs/dbraw/zinc/25/81/58/1019258158.db2.gz OIGZPUILIGLHLO-WDEREUQCSA-N -1 0 313.354 -0.308 20 0 DBADRM NS(=O)(=O)C1(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC001574804705 1019258645 /nfs/dbraw/zinc/25/86/45/1019258645.db2.gz PLVAZVKHGZJCJH-SNVBAGLBSA-N -1 0 312.347 -0.208 20 0 DBADRM O=C([O-])CC[C@H]1NC(=O)N(CCOC2CCOCC2)C1=O ZINC001608737200 1019258409 /nfs/dbraw/zinc/25/84/09/1019258409.db2.gz RODGBNDSPLKYFA-SNVBAGLBSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)CCOCC(F)F ZINC001608750049 1019259554 /nfs/dbraw/zinc/25/95/54/1019259554.db2.gz DANNSUPVTWMILN-MRVPVSSYSA-N -1 0 308.281 -0.150 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2n[nH]nc2n1 ZINC001608749946 1019259095 /nfs/dbraw/zinc/25/90/95/1019259095.db2.gz AIXGLGTVJRJBHK-VIFPVBQESA-N -1 0 318.293 -0.842 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)CC1(O)CCCC1 ZINC001608750154 1019260019 /nfs/dbraw/zinc/26/00/19/1019260019.db2.gz ACOPZAFUXJLLDS-NWDGAFQWSA-N -1 0 314.382 -0.292 20 0 DBADRM O=C([O-])CN1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC001608748677 1019260626 /nfs/dbraw/zinc/26/06/26/1019260626.db2.gz NTWPHWCOXRFEKC-UHFFFAOYSA-N -1 0 323.324 -0.329 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)CC1(O)CCOCC1 ZINC001608750289 1019260821 /nfs/dbraw/zinc/26/08/21/1019260821.db2.gz IEBJRLFTVKBPSX-JTQLQIEISA-N -1 0 314.338 -0.890 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)Cn1ccsc1=O ZINC001608745729 1019261740 /nfs/dbraw/zinc/26/17/40/1019261740.db2.gz JCIUNQFQWIEGIZ-UHFFFAOYSA-N -1 0 301.368 -0.414 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc[n+]([O-])c1 ZINC001608749965 1019261788 /nfs/dbraw/zinc/26/17/88/1019261788.db2.gz AWTQYQQNDPCXDM-JTQLQIEISA-N -1 0 308.294 -0.483 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1S(=O)(=O)CC1(F)CC1 ZINC001608750946 1019262707 /nfs/dbraw/zinc/26/27/07/1019262707.db2.gz KJMPRKFWIWIGRR-QMMMGPOBSA-N -1 0 308.331 -0.517 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC001608751990 1019262912 /nfs/dbraw/zinc/26/29/12/1019262912.db2.gz FLBUISCGNUOXPF-UHFFFAOYSA-N -1 0 304.302 -0.325 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1CC[C@@H]1CCS(=O)(=O)C1 ZINC001608750967 1019262978 /nfs/dbraw/zinc/26/29/78/1019262978.db2.gz KXGDWGILLCGOPF-GHMZBOCLSA-N -1 0 318.395 -0.524 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001574812247 1019263459 /nfs/dbraw/zinc/26/34/59/1019263459.db2.gz FTYBQPFFVUQIBJ-KWQFWETISA-N -1 0 310.281 -0.260 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCc2cncn2C1 ZINC001608750460 1019264249 /nfs/dbraw/zinc/26/42/49/1019264249.db2.gz JRLZXQCVEHIXJH-JQWIXIFHSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1cn2c(n1)COCC2 ZINC001608751714 1019264388 /nfs/dbraw/zinc/26/43/88/1019264388.db2.gz XFOYNEKJEGWECF-SNVBAGLBSA-N -1 0 322.321 -0.781 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1 ZINC001574813617 1019264559 /nfs/dbraw/zinc/26/45/59/1019264559.db2.gz QBHGPYTVHBFQTG-NSHDSACASA-N -1 0 323.280 -0.130 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cnc2[nH]cnc2c1 ZINC001608751037 1019264688 /nfs/dbraw/zinc/26/46/88/1019264688.db2.gz MXCZUMJFRZPCDU-JTQLQIEISA-N -1 0 317.305 -0.237 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H](O)c1ccc(Cl)cc1F ZINC001608752233 1019265229 /nfs/dbraw/zinc/26/52/29/1019265229.db2.gz PYGULTZHUOZCHI-NSHDSACASA-N -1 0 318.688 -0.171 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1cnn(CC2CC2)c1 ZINC001608757052 1019266535 /nfs/dbraw/zinc/26/65/35/1019266535.db2.gz TVGIBRMIXUVTCD-UHFFFAOYSA-N -1 0 310.310 -0.551 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(-n2cncn2)cc1 ZINC001608753225 1019266676 /nfs/dbraw/zinc/26/66/76/1019266676.db2.gz RZDHEHROQHKAIZ-UHFFFAOYSA-N -1 0 303.278 -0.802 20 0 DBADRM O=C([O-])COCCNC(=O)CCc1nc(-c2ncccn2)no1 ZINC001608757383 1019266745 /nfs/dbraw/zinc/26/67/45/1019266745.db2.gz XHYOMHICSBMXNG-UHFFFAOYSA-N -1 0 321.293 -0.323 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ncc(Br)s1 ZINC001608752877 1019266979 /nfs/dbraw/zinc/26/69/79/1019266979.db2.gz UWNKSXGMOSCEPX-UHFFFAOYSA-N -1 0 322.140 -0.164 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCN(c2cnccn2)CC1 ZINC001608757142 1019267161 /nfs/dbraw/zinc/26/71/61/1019267161.db2.gz ARKAGJSLLRMMTC-UHFFFAOYSA-N -1 0 309.326 -0.591 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1[nH]ncc1Br ZINC001608753296 1019267717 /nfs/dbraw/zinc/26/77/17/1019267717.db2.gz WRYZSMUMYQGOBT-UHFFFAOYSA-N -1 0 305.088 -0.897 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)COc1ccc(F)c(F)c1 ZINC001608753208 1019267987 /nfs/dbraw/zinc/26/79/87/1019267987.db2.gz QQVURNMEDGXLQI-UHFFFAOYSA-N -1 0 302.233 -0.339 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC001608757359 1019268186 /nfs/dbraw/zinc/26/81/86/1019268186.db2.gz UZYFVVNXNXTJDE-SNVBAGLBSA-N -1 0 314.342 -0.713 20 0 DBADRM O=C([O-])COCCNC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001608757361 1019268251 /nfs/dbraw/zinc/26/82/51/1019268251.db2.gz VJOQXWLLQDOGEF-AOOOYVTPSA-N -1 0 310.306 -0.845 20 0 DBADRM O=C([O-])COCC(=O)N[C@H](C1CC1)C1(CO)CCOCC1 ZINC001608756597 1019268895 /nfs/dbraw/zinc/26/88/95/1019268895.db2.gz YLEZUGLCCMYCTB-CYBMUJFWSA-N -1 0 301.339 -0.229 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N[C@@H]2CCOC2)cc1 ZINC001608759967 1019269745 /nfs/dbraw/zinc/26/97/45/1019269745.db2.gz JWQCMNLVBWTOQD-SNVBAGLBSA-N -1 0 308.290 -0.006 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC3(COC3)C2)C1 ZINC001608771798 1019270439 /nfs/dbraw/zinc/27/04/39/1019270439.db2.gz NRXOKKKSJXPHHM-MNOVXSKESA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])COCCNC(=O)NCc1nc(-c2ccccn2)n[nH]1 ZINC001608757752 1019271112 /nfs/dbraw/zinc/27/11/12/1019271112.db2.gz ZULYZCITDDCYNO-UHFFFAOYSA-N -1 0 320.309 -0.233 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC001608772414 1019271783 /nfs/dbraw/zinc/27/17/83/1019271783.db2.gz JWLPIWVRJUJLEK-UTLUCORTSA-N -1 0 324.337 -0.425 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001505362745 1019272429 /nfs/dbraw/zinc/27/24/29/1019272429.db2.gz PYRKYDSQFJETQD-CIUDSAMLSA-N -1 0 308.338 -0.624 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)NC/C=C\CO)cc1 ZINC001608760047 1019272564 /nfs/dbraw/zinc/27/25/64/1019272564.db2.gz LVFKMVCZMYPBDZ-UPHRSURJSA-N -1 0 308.290 -0.247 20 0 DBADRM O=C([O-])Cc1occc1C(=O)N1CCC(=O)NCC12COC2 ZINC001608793599 1019273446 /nfs/dbraw/zinc/27/34/46/1019273446.db2.gz FKUKOIYBABANPR-UHFFFAOYSA-N -1 0 308.290 -0.362 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)CN2C(=O)Cc3ccccc32)n[nH]1 ZINC001608793254 1019274197 /nfs/dbraw/zinc/27/41/97/1019274197.db2.gz GWGHKJFMQPXMEL-UHFFFAOYSA-N -1 0 315.289 -0.040 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)n[nH]1 ZINC001608793321 1019275344 /nfs/dbraw/zinc/27/53/44/1019275344.db2.gz LQKABQUUPVVRSU-LURJTMIESA-N -1 0 302.312 -0.805 20 0 DBADRM O=C([O-])Cn1cc(CCCOC(=O)c2cc3n(n2)CCO3)nn1 ZINC001608796151 1019275747 /nfs/dbraw/zinc/27/57/47/1019275747.db2.gz HMKIIJMBASNYMO-UHFFFAOYSA-N -1 0 321.293 -0.259 20 0 DBADRM O=C([O-])Cn1cc(CCN2CCO[C@@H]([C@H]3CCCO3)C2)nn1 ZINC001608796712 1019275765 /nfs/dbraw/zinc/27/57/65/1019275765.db2.gz NAMUSWMYCWFCOG-CHWSQXEVSA-N -1 0 310.354 -0.215 20 0 DBADRM O=C([O-])Cn1cc(CN[C@H]2COc3ccccc3[C@H]2O)nn1 ZINC001608797475 1019275841 /nfs/dbraw/zinc/27/58/41/1019275841.db2.gz ITIDQQCDCSWNMH-SMDDNHRTSA-N -1 0 304.306 -0.053 20 0 DBADRM O=C([O-])Cn1cc(CN(CCN2CCOCC2)CC2CC2)nn1 ZINC001608796893 1019276451 /nfs/dbraw/zinc/27/64/51/1019276451.db2.gz ARFSOCUHKSMCAF-UHFFFAOYSA-N -1 0 323.397 -0.093 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC001608801807 1019278437 /nfs/dbraw/zinc/27/84/37/1019278437.db2.gz YRSFAZUGVZDXHO-NEPJUHHUSA-N -1 0 306.318 -0.147 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC[C@@]23CCOC3)C[C@H]1C1CC1 ZINC001608805748 1019279497 /nfs/dbraw/zinc/27/94/97/1019279497.db2.gz HRJYIGPSXSTTFF-OZVIIMIRSA-N -1 0 322.361 -0.053 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCC(CO)(CO)CC2)n1 ZINC001608798619 1019279553 /nfs/dbraw/zinc/27/95/53/1019279553.db2.gz DWBRWHQCBNIPBT-UHFFFAOYSA-N -1 0 312.326 -0.434 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCO[C@]3(CCOC3)C2)n1 ZINC001608798818 1019279786 /nfs/dbraw/zinc/27/97/86/1019279786.db2.gz WJLGBRGJSUOHFM-CYBMUJFWSA-N -1 0 310.310 -0.009 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N([C@@H]2CC(=O)N(CC3CC3)C2)C1=O ZINC001608814733 1019281240 /nfs/dbraw/zinc/28/12/40/1019281240.db2.gz ZRVJTUSUNPDRSJ-DNRKLUKYSA-N -1 0 321.333 -0.362 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CC[C@@H](Nc3ncccn3)C2)C(=O)O1 ZINC001608808977 1019282839 /nfs/dbraw/zinc/28/28/39/1019282839.db2.gz RBCZCBIRBHUSFF-ZJUUUORDSA-N -1 0 307.310 -0.174 20 0 DBADRM C[C@@H](CNC(=O)C1CC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574860791 1019282941 /nfs/dbraw/zinc/28/29/41/1019282941.db2.gz BVPLHGYOELYDFN-ZETCQYMHSA-N -1 0 303.326 -0.161 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ncn(-c2ccccc2)n1 ZINC001608810728 1019282898 /nfs/dbraw/zinc/28/28/98/1019282898.db2.gz YIWRCZCOURWQNR-MNOVXSKESA-N -1 0 302.290 -0.073 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNS(=O)(=O)C[C@H]1CCCOC1 ZINC001608815417 1019282934 /nfs/dbraw/zinc/28/29/34/1019282934.db2.gz UOIAVLDBSUCBIN-HBNTYKKESA-N -1 0 307.368 -0.178 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N(C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1=O ZINC001608813628 1019283015 /nfs/dbraw/zinc/28/30/15/1019283015.db2.gz AVOCZQLPUOLILK-AKKLPLMASA-N -1 0 310.306 -0.569 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)CC1CCC1 ZINC001608813223 1019283701 /nfs/dbraw/zinc/28/37/01/1019283701.db2.gz KHPSORHITZOPGH-UWVGGRQHSA-N -1 0 309.322 -0.218 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1c[nH]c2ncncc12 ZINC001608823601 1019284977 /nfs/dbraw/zinc/28/49/77/1019284977.db2.gz CJTULLGBXODUID-HTRCEHHLSA-N -1 0 312.307 -0.882 20 0 DBADRM O=C([O-])c1c(NC(=O)N2CC[C@@H](O)[C@@H](O)C2)nc2n1CCC2 ZINC001608830559 1019285787 /nfs/dbraw/zinc/28/57/87/1019285787.db2.gz SOZQHWXBYLBALB-SFYZADRCSA-N -1 0 310.310 -0.513 20 0 DBADRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001608819422 1019285924 /nfs/dbraw/zinc/28/59/24/1019285924.db2.gz DTJVDHDJFQTOHC-RKDXNWHRSA-N -1 0 319.264 -0.829 20 0 DBADRM O=C([O-])c1c(F)ccc(S(=O)(=O)N[C@H]2CCNC2=O)c1F ZINC001608828661 1019285961 /nfs/dbraw/zinc/28/59/61/1019285961.db2.gz QHFAKSNZKFUUQT-LURJTMIESA-N -1 0 320.273 -0.170 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC(C(=O)NCCO)CC2)on1 ZINC001608835092 1019286722 /nfs/dbraw/zinc/28/67/22/1019286722.db2.gz RTNPIIKJQWLSTG-UHFFFAOYSA-N -1 0 311.294 -0.667 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1[nH]ncc1Br ZINC001608823376 1019287180 /nfs/dbraw/zinc/28/71/80/1019287180.db2.gz NTWNWAUICHYRHX-INEUFUBQSA-N -1 0 304.100 -0.168 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CC[C@@H](c3nnc[nH]3)C2)C1 ZINC001608824391 1019287362 /nfs/dbraw/zinc/28/73/62/1019287362.db2.gz UGQVCKHRUGFASV-HLTSFMKQSA-N -1 0 300.340 -0.213 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC[C@@H](CO)[C@H]2CCOC2)C1 ZINC001608824272 1019287392 /nfs/dbraw/zinc/28/73/92/1019287392.db2.gz ONBAQLIXOAZYAF-XWLWVQCSSA-N -1 0 307.368 -0.586 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N(CCO)C2CCOCC2)n[nH]1 ZINC001608858159 1019289081 /nfs/dbraw/zinc/28/90/81/1019289081.db2.gz XVFFYVQQVRCMHR-UHFFFAOYSA-N -1 0 319.339 -0.730 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H](CO)c2ncc[nH]2)c[nH]1 ZINC001608859901 1019289412 /nfs/dbraw/zinc/28/94/12/1019289412.db2.gz MGKUOACKCUGBEL-QMMMGPOBSA-N -1 0 300.296 -0.552 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCCO1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574875137 1019292350 /nfs/dbraw/zinc/29/23/50/1019292350.db2.gz WPAAIZNATTXYJS-BDAKNGLRSA-N -1 0 318.341 -0.826 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCN2CCNC2=O)c[nH]1 ZINC001608861710 1019292420 /nfs/dbraw/zinc/29/24/20/1019292420.db2.gz LJEVJCZJFCNJJL-UHFFFAOYSA-N -1 0 302.312 -0.984 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)nc1 ZINC001608872985 1019292764 /nfs/dbraw/zinc/29/27/64/1019292764.db2.gz DDLXNANZCBHZSG-SECBINFHSA-N -1 0 304.262 -0.844 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)cn1 ZINC001608883885 1019292979 /nfs/dbraw/zinc/29/29/79/1019292979.db2.gz KKRQOGIHDVSDJL-VIFPVBQESA-N -1 0 317.305 -0.044 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)nc1 ZINC001608872986 1019293229 /nfs/dbraw/zinc/29/32/29/1019293229.db2.gz DDLXNANZCBHZSG-VIFPVBQESA-N -1 0 304.262 -0.844 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)cc1 ZINC001608871884 1019293573 /nfs/dbraw/zinc/29/35/73/1019293573.db2.gz XUMIEUMJPSFCIQ-LLVKDONJSA-N -1 0 304.302 -0.292 20 0 DBADRM O=C([O-])c1ccc(CN2CCN3[C@@H](CNS3(=O)=O)C2)o1 ZINC001608882640 1019293742 /nfs/dbraw/zinc/29/37/42/1019293742.db2.gz HTXBGSXTAJFPPP-QMMMGPOBSA-N -1 0 301.324 -0.688 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCCO[C@H]2CCOC2)n[nH]1 ZINC001608861691 1019293907 /nfs/dbraw/zinc/29/39/07/1019293907.db2.gz KPKAIOTVHIMFCT-QMMMGPOBSA-N -1 0 319.339 -0.418 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC[C@@]2(O)CCCOC2)n[nH]1 ZINC001608861686 1019294263 /nfs/dbraw/zinc/29/42/63/1019294263.db2.gz KIORDHLBFHAGIN-NSHDSACASA-N -1 0 319.339 -0.682 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)c[nH]1 ZINC001608861681 1019294279 /nfs/dbraw/zinc/29/42/79/1019294279.db2.gz JZXQWNRNJLNPGW-XLDPMVHQSA-N -1 0 316.335 -0.205 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)n[nH]1 ZINC001608861676 1019294577 /nfs/dbraw/zinc/29/45/77/1019294577.db2.gz JNGMBMHZGFIHRF-FJXKBIBVSA-N -1 0 317.323 -0.810 20 0 DBADRM O=C([O-])c1ccc(/C=C\C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)o1 ZINC001608879133 1019294658 /nfs/dbraw/zinc/29/46/58/1019294658.db2.gz QZXPUIOFPJPZLS-DSJWKGGFSA-N -1 0 304.258 -0.278 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCC3(CC2)COCCO3)n1 ZINC001608950496 1019296499 /nfs/dbraw/zinc/29/64/99/1019296499.db2.gz UKYZUNFHSFLVRL-UHFFFAOYSA-N -1 0 309.322 -0.011 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCN2CCOCC2)cn1 ZINC001608912473 1019297376 /nfs/dbraw/zinc/29/73/76/1019297376.db2.gz HSIDWXBOQCNIAT-UHFFFAOYSA-N -1 0 315.351 -0.610 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N[C@@H]1CCOC[C@H]1O ZINC001609005010 1019313447 /nfs/dbraw/zinc/31/34/47/1019313447.db2.gz HBUBXGJMQJZYRQ-PHDIDXHHSA-N -1 0 308.337 -0.731 20 0 DBADRM O=C([O-])CNS(=O)(=O)CCCS(=O)(=O)C(F)(F)F ZINC001574893248 1019298636 /nfs/dbraw/zinc/29/86/36/1019298636.db2.gz VLABCMGKARQNOM-UHFFFAOYSA-N -1 0 313.275 -0.685 20 0 DBADRM O=C([O-])c1ccsc1N1CC[C@H](N2C[C@H](O)[C@@H](O)C2)C1=O ZINC001608957284 1019298893 /nfs/dbraw/zinc/29/88/93/1019298893.db2.gz XSAADDOIUAMXGN-GUBZILKMSA-N -1 0 312.347 -0.411 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)NCCn3cccn3)C2)nn1 ZINC001608960372 1019299238 /nfs/dbraw/zinc/29/92/38/1019299238.db2.gz FIGOANFZHUUTTQ-JTQLQIEISA-N -1 0 319.325 -0.171 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)Cc3cncc(O)c3)C2)nn1 ZINC001608962625 1019300553 /nfs/dbraw/zinc/30/05/53/1019300553.db2.gz ZCAUYASGZKNEJH-UHFFFAOYSA-N -1 0 303.278 -0.297 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@@H]2Cc3cccnc3C2)nn1 ZINC001608963984 1019301092 /nfs/dbraw/zinc/30/10/92/1019301092.db2.gz RNYARYLQLYUIFM-SNVBAGLBSA-N -1 0 301.306 -0.098 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCc3cc[nH]c(=O)c3C2)nn1 ZINC001608963537 1019301754 /nfs/dbraw/zinc/30/17/54/1019301754.db2.gz VJUHYRCZHRQGRS-UHFFFAOYSA-N -1 0 303.278 -0.338 20 0 DBADRM O=C([O-])c1cnc(N2CCC[C@H](NC(=O)c3cnon3)C2)nc1 ZINC001608974880 1019301904 /nfs/dbraw/zinc/30/19/04/1019301904.db2.gz NMUCCLORXBEKAU-VIFPVBQESA-N -1 0 318.293 -0.043 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H](Cn3ccnn3)C2)nn1 ZINC001608963364 1019302209 /nfs/dbraw/zinc/30/22/09/1019302209.db2.gz LEKJZMOTWFUZAS-SNVBAGLBSA-N -1 0 319.325 -0.493 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H]3CCNC(=O)[C@@H]32)nn1 ZINC001608963536 1019302570 /nfs/dbraw/zinc/30/25/70/1019302570.db2.gz VJQCRAFQELMTEE-LDYMZIIASA-N -1 0 307.310 -0.897 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](CNC(=O)c3cnon3)C2)nc1 ZINC001608974182 1019303697 /nfs/dbraw/zinc/30/36/97/1019303697.db2.gz GYHXULOUZUONRG-QMMMGPOBSA-N -1 0 318.293 -0.186 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCc3c(=O)[nH]cnc3C2)c1 ZINC001608984483 1019304556 /nfs/dbraw/zinc/30/45/56/1019304556.db2.gz JHYAXUJHGFBGSW-UHFFFAOYSA-N -1 0 303.278 -0.338 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)c2ncccn2)nc1 ZINC001608976690 1019304699 /nfs/dbraw/zinc/30/46/99/1019304699.db2.gz BKAQGRRMJCQPAC-VIFPVBQESA-N -1 0 318.293 -0.832 20 0 DBADRM O=C([O-])c1cncc(CN2CCS(=O)(=O)C[C@@H]2CCO)c1 ZINC001608980914 1019305748 /nfs/dbraw/zinc/30/57/48/1019305748.db2.gz VOSWTOVSILFPJU-LBPRGKRZSA-N -1 0 314.363 -0.239 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)c2cc[nH]c2)nc1 ZINC001608976980 1019305955 /nfs/dbraw/zinc/30/59/55/1019305955.db2.gz PLCWBZWZEOXRFC-JTQLQIEISA-N -1 0 305.294 -0.294 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2CCN3C(=O)OC[C@H]3C2)c1 ZINC001608990279 1019305967 /nfs/dbraw/zinc/30/59/67/1019305967.db2.gz PMEFCJBYUPDFPG-MRVPVSSYSA-N -1 0 316.291 -0.197 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2C[C@H](O)CC3(CCOCC3)C2)c1 ZINC001608984010 1019306407 /nfs/dbraw/zinc/30/64/07/1019306407.db2.gz NXWLNVSOJSOMKZ-GFCCVEGCSA-N -1 0 323.349 -0.029 20 0 DBADRM O=C([O-])c1cncnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001608983461 1019306734 /nfs/dbraw/zinc/30/67/34/1019306734.db2.gz JXJHILZTGIALIT-UHFFFAOYSA-N -1 0 319.365 -0.081 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)c2ccns2)n1 ZINC001608999246 1019307249 /nfs/dbraw/zinc/30/72/49/1019307249.db2.gz RNIJCAKQQAIZLX-SSDOTTSWSA-N -1 0 323.334 -0.744 20 0 DBADRM O=C([O-])c1nccc(N2CCN(C(=O)[C@]3(F)CCOC3)CC2)n1 ZINC001608997528 1019307268 /nfs/dbraw/zinc/30/72/68/1019307268.db2.gz FETQECPYJROWAW-AWEZNQCLSA-N -1 0 324.312 -0.048 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC001608990376 1019307805 /nfs/dbraw/zinc/30/78/05/1019307805.db2.gz UYIOYHUKHGHGGX-KEJSXXJDSA-N -1 0 305.333 -0.128 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)n1 ZINC001608998310 1019307880 /nfs/dbraw/zinc/30/78/80/1019307880.db2.gz IZZVHOIAVZUIFK-ZJUUUORDSA-N -1 0 322.321 -0.715 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC001608990375 1019308437 /nfs/dbraw/zinc/30/84/37/1019308437.db2.gz UYIOYHUKHGHGGX-QQJLPTOTSA-N -1 0 305.333 -0.128 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)NCc2nnnn2C2CC2)c1 ZINC001608990654 1019308921 /nfs/dbraw/zinc/30/89/21/1019308921.db2.gz JJVNCWHYVHKCKK-UHFFFAOYSA-N -1 0 313.295 -0.222 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)[C@@]2(F)CCOC2)n1 ZINC001608998850 1019309279 /nfs/dbraw/zinc/30/92/79/1019309279.db2.gz GAIQSNKFOLSYDP-CYBMUJFWSA-N -1 0 312.301 -0.357 20 0 DBADRM O=C([O-])c1ncn(CN2CCN(C(=O)N3CCCC3)CC2)n1 ZINC001609002365 1019310798 /nfs/dbraw/zinc/31/07/98/1019310798.db2.gz OPBPCCBWJVWNEP-UHFFFAOYSA-N -1 0 308.342 -0.233 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N[C@@H](CO)[C@H]1CCOC1 ZINC001609003529 1019313564 /nfs/dbraw/zinc/31/35/64/1019313564.db2.gz QFTPWHFMIDEXIZ-BQBZGAKWSA-N -1 0 322.364 -0.483 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccc(CN3CCOCC3)o2)C1 ZINC001609028067 1019314432 /nfs/dbraw/zinc/31/44/32/1019314432.db2.gz DCYMLTBXDWHIAC-UHFFFAOYSA-N -1 0 310.306 -0.617 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)cc1F ZINC001609034761 1019315373 /nfs/dbraw/zinc/31/53/73/1019315373.db2.gz CNPGTTNLYGZICS-SSDOTTSWSA-N -1 0 309.253 -0.533 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N[C@@H]2CCNC(=O)CC2)CCC1 ZINC001609036942 1019315681 /nfs/dbraw/zinc/31/56/81/1019315681.db2.gz IHZOJIVQHDDJLD-VIFPVBQESA-N -1 0 304.368 -0.171 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)cc1F ZINC001609034762 1019315985 /nfs/dbraw/zinc/31/59/85/1019315985.db2.gz CNPGTTNLYGZICS-ZETCQYMHSA-N -1 0 309.253 -0.533 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N2CCC(=O)NCC23COC3)c1 ZINC001609038878 1019316058 /nfs/dbraw/zinc/31/60/58/1019316058.db2.gz HOWNOAPTFIPSOF-UHFFFAOYSA-N -1 0 305.290 -0.489 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001609034984 1019316094 /nfs/dbraw/zinc/31/60/94/1019316094.db2.gz JIWQMYLTMVTZNM-YUMQZZPRSA-N -1 0 300.336 -0.685 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)Cc1ccncc1 ZINC001609034407 1019316982 /nfs/dbraw/zinc/31/69/82/1019316982.db2.gz OEWGEWYLXPBLHD-NEPJUHHUSA-N -1 0 305.334 -0.033 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCC[C@H]2CNC(=O)C2)o1 ZINC001609036452 1019317243 /nfs/dbraw/zinc/31/72/43/1019317243.db2.gz VLEUSUVZKAFYFM-SSDOTTSWSA-N -1 0 302.308 -0.218 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001609034982 1019317332 /nfs/dbraw/zinc/31/73/32/1019317332.db2.gz JIWQMYLTMVTZNM-JGVFFNPUSA-N -1 0 300.336 -0.685 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)C[C@H]3CC(=O)N3)C2)nn1 ZINC001609036410 1019317575 /nfs/dbraw/zinc/31/75/75/1019317575.db2.gz UPMODGBQJQOXOV-BDAKNGLRSA-N -1 0 307.310 -0.582 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2cc3n(n2)CCCC3=O)C1 ZINC001609038578 1019317620 /nfs/dbraw/zinc/31/76/20/1019317620.db2.gz LEDCENNBOCGWPK-IUCAKERBSA-N -1 0 307.306 -0.233 20 0 DBADRM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001609043086 1019318009 /nfs/dbraw/zinc/31/80/09/1019318009.db2.gz QNQKISHLCRYJGO-UWVGGRQHSA-N -1 0 323.280 -0.464 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001609042896 1019318366 /nfs/dbraw/zinc/31/83/66/1019318366.db2.gz ZQVQBZKTVAHHFS-OIBJUYFYSA-N -1 0 307.262 -0.616 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)c1ccnc2c1CC(=O)N2 ZINC001609042911 1019318485 /nfs/dbraw/zinc/31/84/85/1019318485.db2.gz GLCMDBOFHDKINH-JTQLQIEISA-N -1 0 315.289 -0.275 20 0 DBADRM O=C([O-])C1(CNC(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1 ZINC001609041594 1019318918 /nfs/dbraw/zinc/31/89/18/1019318918.db2.gz MNJQSBYKGDKKQQ-UHFFFAOYSA-N -1 0 317.301 -0.037 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)[C@@H]3CSC(=O)N3)C2)nn1 ZINC001609043344 1019318986 /nfs/dbraw/zinc/31/89/86/1019318986.db2.gz CCQDMRHYDZAJPS-SVRRBLITSA-N -1 0 311.323 -0.425 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)CC[C@H]1NC(=O)NC1=O)CC2 ZINC001609043910 1019319410 /nfs/dbraw/zinc/31/94/10/1019319410.db2.gz IAHIGIQLFIMSIO-NUPCCRGMSA-N -1 0 309.322 -0.170 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)c1ccnc2c1CC(=O)N2 ZINC001609043203 1019319550 /nfs/dbraw/zinc/31/95/50/1019319550.db2.gz WOETZGVITKMKNV-VIFPVBQESA-N -1 0 321.289 -0.478 20 0 DBADRM O=C([O-])c1cccc2c1CN(CC(=O)N1CCNC(=O)C1)CC2 ZINC001609040559 1019319584 /nfs/dbraw/zinc/31/95/84/1019319584.db2.gz NZLWWTRGJVJVBQ-UHFFFAOYSA-N -1 0 317.345 -0.299 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CC(=O)NCC23COC3)cc1F ZINC001609041058 1019319960 /nfs/dbraw/zinc/31/99/60/1019319960.db2.gz MUNOXYJJBIJYJJ-UHFFFAOYSA-N -1 0 308.265 -0.135 20 0 DBADRM O=C([O-])C12CC(C(=O)N3CCC[C@]4(C3)NC(=O)NC4=O)(C1)C2 ZINC001609044422 1019320763 /nfs/dbraw/zinc/32/07/63/1019320763.db2.gz PRAVDYWUUFGLHP-JXQTWKCFSA-N -1 0 307.306 -0.558 20 0 DBADRM O=C([O-])[C@H](CC1CCOCC1)NC(=O)[C@@H]1CCOC(=O)N1 ZINC001609044483 1019320872 /nfs/dbraw/zinc/32/08/72/1019320872.db2.gz VXRHCSPNXXUQOS-UWVGGRQHSA-N -1 0 300.311 -0.129 20 0 DBADRM O=C([O-])C12CC(C(=O)NC[C@@H]3CCC[C@]34NC(=O)NC4=O)(C1)C2 ZINC001609044735 1019321166 /nfs/dbraw/zinc/32/11/66/1019321166.db2.gz VRHBVBGPZQNBOE-FCCQKCQTSA-N -1 0 321.333 -0.264 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)CCC1 ZINC001609045260 1019322217 /nfs/dbraw/zinc/32/22/17/1019322217.db2.gz PEMVZTNYOFUGIT-QMMMGPOBSA-N -1 0 303.340 -0.967 20 0 DBADRM O=C([O-])[C@H](CC1CCOCC1)NC(=O)[C@H]1CCOC(=O)N1 ZINC001609044486 1019322528 /nfs/dbraw/zinc/32/25/28/1019322528.db2.gz VXRHCSPNXXUQOS-ZJUUUORDSA-N -1 0 300.311 -0.129 20 0 DBADRM C[C@@H](C(=O)OCC(=O)CC1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609071512 1019329014 /nfs/dbraw/zinc/32/90/14/1019329014.db2.gz HIGBKHXPBNRYIO-ZETCQYMHSA-N -1 0 305.298 -0.068 20 0 DBADRM C[C@@H](C(=O)OCC(=O)OC(C)(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001609072017 1019330124 /nfs/dbraw/zinc/33/01/24/1019330124.db2.gz YZJHBIQUKUKWQW-ZETCQYMHSA-N -1 0 323.313 -0.096 20 0 DBADRM C[C@H](C(=O)OCC(=O)CC1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609071511 1019330513 /nfs/dbraw/zinc/33/05/13/1019330513.db2.gz HIGBKHXPBNRYIO-SSDOTTSWSA-N -1 0 305.298 -0.068 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@]23COCCN2C(=O)COC3)[nH]1 ZINC001574965462 1019331159 /nfs/dbraw/zinc/33/11/59/1019331159.db2.gz WWWPMINSFZJXNQ-CQSZACIVSA-N -1 0 323.305 -0.930 20 0 DBADRM C[C@H](C(=O)NCC1(O)CCCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609069951 1019333173 /nfs/dbraw/zinc/33/31/73/1019333173.db2.gz HJCDJQPPWNUUBE-SECBINFHSA-N -1 0 320.357 -0.169 20 0 DBADRM C[C@H](C(=O)N1CC[C@@]2(CCOC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068821 1019333552 /nfs/dbraw/zinc/33/35/52/1019333552.db2.gz NRBFFBLRPOQVBB-NOZJJQNGSA-N -1 0 318.341 -0.342 20 0 DBADRM C[C@@H](C(=O)NCc1cccc(F)n1)n1cnc(-c2nnn[n-]2)n1 ZINC001609069997 1019335033 /nfs/dbraw/zinc/33/50/33/1019335033.db2.gz IHUZVJNMYODCEU-ZETCQYMHSA-N -1 0 317.288 -0.130 20 0 DBADRM C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609110746 1019339053 /nfs/dbraw/zinc/33/90/53/1019339053.db2.gz UULLSLRYIHYDDJ-RXMQYKEDSA-N -1 0 300.300 -0.998 20 0 DBADRM CC(C)c1nnc(CNc2ccnc(-c3nnn[n-]3)n2)n1C ZINC001609107108 1019339602 /nfs/dbraw/zinc/33/96/02/1019339602.db2.gz QNFDTONXUVXJCN-UHFFFAOYSA-N -1 0 300.330 -0.057 20 0 DBADRM C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609115252 1019343598 /nfs/dbraw/zinc/34/35/98/1019343598.db2.gz QJFZBTFFQICKLA-ZLWQNGGKSA-N -1 0 319.368 -0.495 20 0 DBADRM C[C@@H](CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001609112556 1019346705 /nfs/dbraw/zinc/34/67/05/1019346705.db2.gz JRTUFEGAMKESMR-QMMMGPOBSA-N -1 0 305.346 -0.197 20 0 DBADRM C[C@@H](OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(=O)N(C)C ZINC001609130858 1019349314 /nfs/dbraw/zinc/34/93/14/1019349314.db2.gz XPDFILLWRUJLNC-NKWVEPMBSA-N -1 0 308.302 -0.961 20 0 DBADRM C[C@@]1(NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCCOC1 ZINC001609149966 1019355783 /nfs/dbraw/zinc/35/57/83/1019355783.db2.gz HBWDYEAUOHOEGO-GFCCVEGCSA-N -1 0 321.345 -0.674 20 0 DBADRM C[C@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)cc2=O)C1 ZINC001609166029 1019356742 /nfs/dbraw/zinc/35/67/42/1019356742.db2.gz FAXMKKJKSKTZCA-VIFPVBQESA-N -1 0 303.326 -0.318 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001609155815 1019359397 /nfs/dbraw/zinc/35/93/97/1019359397.db2.gz UQTRITHLLJBBOA-RKDXNWHRSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@H]1CN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001609170501 1019362303 /nfs/dbraw/zinc/36/23/03/1019362303.db2.gz BWBAUBDVTGDJQK-IUCAKERBSA-N -1 0 321.345 -0.723 20 0 DBADRM Cc1ccn(CC(=O)NCCNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001575027326 1019364002 /nfs/dbraw/zinc/36/40/02/1019364002.db2.gz UGSQKUREIHSKAA-UHFFFAOYSA-N -1 0 306.326 -0.525 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001609171421 1019365481 /nfs/dbraw/zinc/36/54/81/1019365481.db2.gz QHKBAESRRFSTTP-MRVPVSSYSA-N -1 0 321.293 -0.136 20 0 DBADRM CC[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)(C)O ZINC001609192146 1019368464 /nfs/dbraw/zinc/36/84/64/1019368464.db2.gz XFPMTNFLOCYWSF-JGVFFNPUSA-N -1 0 308.346 -0.315 20 0 DBADRM CC[C@H](O)CCCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609195730 1019369193 /nfs/dbraw/zinc/36/91/93/1019369193.db2.gz ZVLQCMQXWWLOQM-BDAKNGLRSA-N -1 0 308.346 -0.314 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001609182165 1019370839 /nfs/dbraw/zinc/37/08/39/1019370839.db2.gz SNDSNQAHCNVMSQ-ZCFIWIBFSA-N -1 0 315.311 -0.057 20 0 DBADRM CC[C@H](C)C[C@@H](CO)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609185240 1019372803 /nfs/dbraw/zinc/37/28/03/1019372803.db2.gz CPMVVVBDRIPZTK-GUBZILKMSA-N -1 0 322.373 -0.068 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1cccc2c1COC2=O ZINC001575043275 1019373295 /nfs/dbraw/zinc/37/32/95/1019373295.db2.gz XKGXGMWABBDPCE-QMMMGPOBSA-N -1 0 301.276 -0.919 20 0 DBADRM CC[C@@H](O)CCCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609195731 1019373332 /nfs/dbraw/zinc/37/33/32/1019373332.db2.gz ZVLQCMQXWWLOQM-DTWKUNHWSA-N -1 0 308.346 -0.314 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCOC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001609177609 1019373406 /nfs/dbraw/zinc/37/34/06/1019373406.db2.gz ZKNWRRCZJHIPSI-IWSPIJDZSA-N -1 0 306.330 -0.440 20 0 DBADRM CCCn1c(C)nnc1Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001609218511 1019377550 /nfs/dbraw/zinc/37/75/50/1019377550.db2.gz NJKOFQKAHJHUJN-UHFFFAOYSA-N -1 0 317.313 -0.513 20 0 DBADRM CCC[C@@]1(CO)CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001609206526 1019378656 /nfs/dbraw/zinc/37/86/56/1019378656.db2.gz CERKTGXFUPGQST-ZDUSSCGKSA-N -1 0 320.357 -0.388 20 0 DBADRM CCOCCCCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609240713 1019380464 /nfs/dbraw/zinc/38/04/64/1019380464.db2.gz ZLWMXTPTASWDGI-SECBINFHSA-N -1 0 308.346 -0.048 20 0 DBADRM CCn1nnc(C)c1Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001609260965 1019389133 /nfs/dbraw/zinc/38/91/33/1019389133.db2.gz ZDARPFSINRVUMO-UHFFFAOYSA-N -1 0 303.286 -0.903 20 0 DBADRM CCc1nn(C)cc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609255714 1019391996 /nfs/dbraw/zinc/39/19/96/1019391996.db2.gz YGSADTGVYZBAEZ-UHFFFAOYSA-N -1 0 316.329 -0.816 20 0 DBADRM CN(Cc1ccoc1)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609280863 1019396063 /nfs/dbraw/zinc/39/60/63/1019396063.db2.gz IJMRVLZWRRODAR-UHFFFAOYSA-N -1 0 317.313 -0.107 20 0 DBADRM COC(=O)CNC(=O)COc1ccc(F)nc1-c1nnn[n-]1 ZINC001609299545 1019417942 /nfs/dbraw/zinc/41/79/42/1019417942.db2.gz ZTVZBAJANXRQIQ-UHFFFAOYSA-N -1 0 310.245 -0.931 20 0 DBADRM COC(=O)c1coc(Cn2cncc(-c3nnn[n-]3)c2=O)c1 ZINC001609306611 1019419148 /nfs/dbraw/zinc/41/91/48/1019419148.db2.gz RXRAYGKVQVQQBC-UHFFFAOYSA-N -1 0 302.250 -0.149 20 0 DBADRM COC(=O)CCC(=O)Cn1nc(C)c(C)c(-c2nnn[n-]2)c1=O ZINC001609298121 1019422826 /nfs/dbraw/zinc/42/28/26/1019422826.db2.gz IPRYFMQTWOKKRB-UHFFFAOYSA-N -1 0 320.309 -0.437 20 0 DBADRM COCC(C)(C)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609316036 1019424775 /nfs/dbraw/zinc/42/47/75/1019424775.db2.gz AOEDRVRVVNPJEG-QMMMGPOBSA-N -1 0 308.346 -0.192 20 0 DBADRM COC[C@@H]1CCCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001609319906 1019425495 /nfs/dbraw/zinc/42/54/95/1019425495.db2.gz PTOLZADGPBJMKQ-VHSXEESVSA-N -1 0 320.357 -0.096 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609317082 1019428744 /nfs/dbraw/zinc/42/87/44/1019428744.db2.gz ZDUGRMKLJBMVGV-SNVBAGLBSA-N -1 0 317.327 -0.865 20 0 DBADRM COCCc1noc(COc2cnc(-c3nnn[n-]3)nc2)n1 ZINC001609329884 1019434134 /nfs/dbraw/zinc/43/41/34/1019434134.db2.gz IDFJDSJVFJCQMN-UHFFFAOYSA-N -1 0 304.270 -0.192 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC001609327834 1019436117 /nfs/dbraw/zinc/43/61/17/1019436117.db2.gz JBLRRCNDAMJJPM-UHFFFAOYSA-N -1 0 306.282 -0.501 20 0 DBADRM COc1cncc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001609365095 1019445221 /nfs/dbraw/zinc/44/52/21/1019445221.db2.gz FXYWRDSABWLSQW-LURJTMIESA-N -1 0 316.285 -0.544 20 0 DBADRM Cc1cc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)ncn1 ZINC001609406082 1019455174 /nfs/dbraw/zinc/45/51/74/1019455174.db2.gz KIRAWAYBSGIQBS-ZETCQYMHSA-N -1 0 300.286 -0.244 20 0 DBADRM Cc1n[nH]cc1Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001609445037 1019458912 /nfs/dbraw/zinc/45/89/12/1019458912.db2.gz HONDWVMXNOGESV-UHFFFAOYSA-N -1 0 303.286 -0.961 20 0 DBADRM Cc1ccc(CC(=O)NCCn2cnc(-c3nnn[n-]3)n2)cn1 ZINC001609422059 1019459541 /nfs/dbraw/zinc/45/95/41/1019459541.db2.gz LWUQAAITMDPVEX-UHFFFAOYSA-N -1 0 313.325 -0.479 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CC(C(=O)[O-])C2)cc1-c1nn[nH]n1 ZINC001609455960 1019462600 /nfs/dbraw/zinc/46/26/00/1019462600.db2.gz VEJRJYIIMPSBOH-UHFFFAOYSA-N -1 0 324.322 -0.725 20 0 DBADRM Cc1nc(C(=O)[N-]N2CC(=O)N(C)C2=O)ccc1-c1nn[nH]n1 ZINC001609447822 1019463951 /nfs/dbraw/zinc/46/39/51/1019463951.db2.gz CDFPADVEGMIGEZ-UHFFFAOYSA-N -1 0 316.281 -0.891 20 0 DBADRM Cc1nnc(CNC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)n1C ZINC001609461023 1019464824 /nfs/dbraw/zinc/46/48/24/1019464824.db2.gz KMIQYIGMUOHGTI-UHFFFAOYSA-N -1 0 314.309 -0.061 20 0 DBADRM Cc1nn(C)cc1CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609459660 1019465191 /nfs/dbraw/zinc/46/51/91/1019465191.db2.gz UYSGOMQALLMUOH-QMMMGPOBSA-N -1 0 316.329 -0.622 20 0 DBADRM Nc1ncnc(NCCn2cnc(-c3nnn[n-]3)n2)c1Cl ZINC001609512970 1019496025 /nfs/dbraw/zinc/49/60/25/1019496025.db2.gz BCBUUCLNEIGXCV-UHFFFAOYSA-N -1 0 307.709 -0.404 20 0 DBADRM O=C(COc1cnc(-c2nnn[n-]2)nc1)N[C@H]1CCSC1=O ZINC001609533682 1019504429 /nfs/dbraw/zinc/50/44/29/1019504429.db2.gz OXUIIFCNGMVGQF-ZETCQYMHSA-N -1 0 321.322 -0.816 20 0 DBADRM O=C(N[C@]1(CO)CCOC1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609539687 1019504640 /nfs/dbraw/zinc/50/46/40/1019504640.db2.gz VRMDYRDYSICQJF-ZDUSSCGKSA-N -1 0 305.294 -0.547 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NCc1ccco1 ZINC001609551951 1019508448 /nfs/dbraw/zinc/50/84/48/1019508448.db2.gz RDCGNPKVZIADKG-UHFFFAOYSA-N -1 0 303.286 -0.449 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cnn2ccccc12 ZINC001609552390 1019510940 /nfs/dbraw/zinc/51/09/40/1019510940.db2.gz IQPZHMDGCFHSKX-UHFFFAOYSA-N -1 0 324.308 -0.464 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cccnc1F ZINC001609552582 1019511634 /nfs/dbraw/zinc/51/16/34/1019511634.db2.gz POGYJXHORGZRHH-UHFFFAOYSA-N -1 0 303.261 -0.578 20 0 DBADRM O=C(NCc1nnn[n-]1)C1(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609557320 1019515230 /nfs/dbraw/zinc/51/52/30/1019515230.db2.gz KBGHGBIMHLRYCF-UHFFFAOYSA-N -1 0 311.309 -0.272 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NCC1CCCC1 ZINC001609551425 1019515707 /nfs/dbraw/zinc/51/57/07/1019515707.db2.gz DGGGBOWEOUHKPA-UHFFFAOYSA-N -1 0 305.346 -0.052 20 0 DBADRM CC(=O)N(C)CC(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001609573289 1019517292 /nfs/dbraw/zinc/51/72/92/1019517292.db2.gz QGTUKWAZMAMXCV-VIFPVBQESA-N -1 0 314.338 -0.280 20 0 DBADRM O=C([O-])CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC001609572464 1019521772 /nfs/dbraw/zinc/52/17/72/1019521772.db2.gz YVYBLPBRDFBSQX-UHFFFAOYSA-N -1 0 317.714 -0.117 20 0 DBADRM O=S(=O)(NC[C@@H](O)C1CC1)c1cccnc1-c1nnn[n-]1 ZINC001609594646 1019525638 /nfs/dbraw/zinc/52/56/38/1019525638.db2.gz WILFBLAJVPWVHR-MRVPVSSYSA-N -1 0 310.339 -0.689 20 0 DBADRM O=S(=O)(Oc1ccc(F)nc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC001609596729 1019530336 /nfs/dbraw/zinc/53/03/36/1019530336.db2.gz GSEGLRLDKUGYMW-ZCFIWIBFSA-N -1 0 315.286 -0.102 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H](CO)C1 ZINC001609597300 1019530483 /nfs/dbraw/zinc/53/04/83/1019530483.db2.gz PBSUTQJXFDLQIF-QMMMGPOBSA-N -1 0 313.339 -0.147 20 0 DBADRM c1nc(-c2nnn[n-]2)nn1CCNc1cc(NC2CC2)ncn1 ZINC001609621198 1019532890 /nfs/dbraw/zinc/53/28/90/1019532890.db2.gz UTKAOPJZAJNYNR-UHFFFAOYSA-N -1 0 313.329 -0.065 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)Cc1nc(C2CC2)no1)C(=O)[O-] ZINC001609622519 1019534014 /nfs/dbraw/zinc/53/40/14/1019534014.db2.gz ARGDGUIBZZGUNS-FHZGZLOMSA-N -1 0 301.324 -0.215 20 0 DBADRM CC(=O)NCc1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])s1 ZINC001609621969 1019536406 /nfs/dbraw/zinc/53/64/06/1019536406.db2.gz PVZGYBYQHXBBII-GFCCVEGCSA-N -1 0 300.336 -0.050 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC1(C(=O)[O-])CCSCC1 ZINC001609631865 1019538131 /nfs/dbraw/zinc/53/81/31/1019538131.db2.gz SNNFXZSFAQQUEA-MRVPVSSYSA-N -1 0 324.424 -0.267 20 0 DBADRM C[C@H](C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)N1CCN(C)CC1 ZINC001609633372 1019538467 /nfs/dbraw/zinc/53/84/67/1019538467.db2.gz ZOUSAZPPDWEGFR-DGCLKSJQSA-N -1 0 313.398 -0.694 20 0 DBADRM C[C@H](C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)N1CCN(C)CC1 ZINC001609633374 1019539724 /nfs/dbraw/zinc/53/97/24/1019539724.db2.gz ZOUSAZPPDWEGFR-YPMHNXCESA-N -1 0 313.398 -0.694 20 0 DBADRM CC(=O)c1cn(CC(=O)c2ccc(C(=O)[O-])o2)c(=O)n(C)c1=O ZINC001609630331 1019540115 /nfs/dbraw/zinc/54/01/15/1019540115.db2.gz AJCCPIKFZNTVPA-UHFFFAOYSA-N -1 0 320.257 -0.076 20 0 DBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)N(C)CC(=O)[O-])c2C1 ZINC001609663070 1019543883 /nfs/dbraw/zinc/54/38/83/1019543883.db2.gz ULZMVJRJJUZXJH-SNVBAGLBSA-N -1 0 308.338 -0.262 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001609653499 1019544062 /nfs/dbraw/zinc/54/40/62/1019544062.db2.gz ZUOMEOZHXYTMDX-DTORHVGOSA-N -1 0 313.354 -0.756 20 0 DBADRM CC(=O)NCCN(C(=O)C[C@@H]1CCCC(=O)N1)[C@H](C)C(=O)[O-] ZINC001609673547 1019544170 /nfs/dbraw/zinc/54/41/70/1019544170.db2.gz GFPGZMMOUGNCIX-KOLCDFICSA-N -1 0 313.354 -0.517 20 0 DBADRM CC(C)(C)OC(=O)N(CC(=O)N[C@H](CO)C(=O)[O-])C1CC1 ZINC001609659707 1019544986 /nfs/dbraw/zinc/54/49/86/1019544986.db2.gz FCJLPZXCNPAGOX-SECBINFHSA-N -1 0 302.327 -0.052 20 0 DBADRM CC(C)(C)N1CC[C@H](OC(=O)Cn2cc(C(=O)[O-])nn2)C1=O ZINC001609657804 1019545203 /nfs/dbraw/zinc/54/52/03/1019545203.db2.gz HTNRGRNSTBWSEJ-VIFPVBQESA-N -1 0 310.310 -0.081 20 0 DBADRM CC(C)C(=O)N1CCC[C@H]1C(=O)OCC(=O)NCCC(=O)[O-] ZINC001609682339 1019546727 /nfs/dbraw/zinc/54/67/27/1019546727.db2.gz FBXWKUUMOSMORA-JTQLQIEISA-N -1 0 314.338 -0.233 20 0 DBADRM CC(C)(CO)CCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001609677130 1019546765 /nfs/dbraw/zinc/54/67/65/1019546765.db2.gz KIZSQWAHZAGMOZ-JTQLQIEISA-N -1 0 300.355 -0.166 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCC[C@H](OCCO)C1)C(=O)[O-] ZINC001609677039 1019547759 /nfs/dbraw/zinc/54/77/59/1019547759.db2.gz MFRINLABOPLTCW-JTQLQIEISA-N -1 0 309.384 -0.100 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1C(=O)OCC(=O)NCCC(=O)[O-] ZINC001609682340 1019547776 /nfs/dbraw/zinc/54/77/76/1019547776.db2.gz FBXWKUUMOSMORA-SNVBAGLBSA-N -1 0 314.338 -0.233 20 0 DBADRM CC(C)(CS(=O)(=O)NCCCCS(C)(=O)=O)C(=O)[O-] ZINC001609677880 1019548457 /nfs/dbraw/zinc/54/84/57/1019548457.db2.gz IVFKPNUEVOEBAR-UHFFFAOYSA-N -1 0 315.413 -0.159 20 0 DBADRM CC(C)COC(=O)N1CCN([C@@H](C)C(=O)NCC(=O)[O-])CC1 ZINC001609699819 1019549648 /nfs/dbraw/zinc/54/96/48/1019549648.db2.gz LYPBWEXGPDLWHI-NSHDSACASA-N -1 0 315.370 -0.014 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)OCC(=O)NC(=O)NCC(F)(F)F ZINC001609706436 1019550074 /nfs/dbraw/zinc/55/00/74/1019550074.db2.gz SXRUCJQIMNHHMS-BYPYZUCNSA-N -1 0 300.189 -0.362 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001609707985 1019550167 /nfs/dbraw/zinc/55/01/67/1019550167.db2.gz YUZSPZNNNDWPIC-UHFFFAOYSA-N -1 0 319.383 -0.810 20 0 DBADRM CC(C)OC(=O)CCNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001609708729 1019550460 /nfs/dbraw/zinc/55/04/60/1019550460.db2.gz ACQYIKCLDHJQSB-UHFFFAOYSA-N -1 0 313.314 -0.383 20 0 DBADRM CC(C)NC(=O)CNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001609707123 1019550847 /nfs/dbraw/zinc/55/08/47/1019550847.db2.gz NCEUMFMIOUVRFO-VIFPVBQESA-N -1 0 324.341 -0.543 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC001609710435 1019550999 /nfs/dbraw/zinc/55/09/99/1019550999.db2.gz UPOXXNJSAOQERK-NXEZZACHSA-N -1 0 324.399 -0.397 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N[C@H](Cn1ccnc1)C(=O)[O-] ZINC001609700737 1019551430 /nfs/dbraw/zinc/55/14/30/1019551430.db2.gz RCINBTCBCJOMAT-SNVBAGLBSA-N -1 0 317.367 -0.477 20 0 DBADRM CC(C)N(CC(=O)[O-])CC(=O)NCCCN(C)S(C)(=O)=O ZINC001609704492 1019551985 /nfs/dbraw/zinc/55/19/85/1019551985.db2.gz JJZGPSNPMSICSR-UHFFFAOYSA-N -1 0 323.415 -0.821 20 0 DBADRM CC(C)N(C1COC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001609704277 1019552379 /nfs/dbraw/zinc/55/23/79/1019552379.db2.gz FOEVIHKUBLAOST-UHFFFAOYSA-N -1 0 303.340 -0.234 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001609700578 1019552400 /nfs/dbraw/zinc/55/24/00/1019552400.db2.gz FEMGQPBVLMOGCH-GXSJLCMTSA-N -1 0 307.368 -0.506 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)C1=NNC(=O)CC1)C(=O)[O-] ZINC001609694273 1019552532 /nfs/dbraw/zinc/55/25/32/1019552532.db2.gz SWQMHJUTRZQWPS-SECBINFHSA-N -1 0 313.310 -0.589 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@@H]1CCC(=O)N1C)C(=O)[O-] ZINC001609716743 1019554332 /nfs/dbraw/zinc/55/43/32/1019554332.db2.gz SMQNZUVDFDUROM-KWQFWETISA-N -1 0 300.311 -0.624 20 0 DBADRM CC(C)[C@H](NC(=O)CN(C)C[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001609715936 1019555035 /nfs/dbraw/zinc/55/50/35/1019555035.db2.gz KYFPYDBUBVLKIX-JQWIXIFHSA-N -1 0 320.411 -0.422 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCO[C@H](C(=O)C2CC2)C1)C(=O)[O-] ZINC001609751485 1019559672 /nfs/dbraw/zinc/55/96/72/1019559672.db2.gz ZFHZOXTUUHTZCC-SCZZXKLOSA-N -1 0 305.352 -0.283 20 0 DBADRM CC(C)c1noc(CCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC001609722935 1019555287 /nfs/dbraw/zinc/55/52/87/1019555287.db2.gz PTBGMZTXYCJBKQ-SECBINFHSA-N -1 0 324.337 -0.073 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCN(c2nccn2C)CC1)C(=O)[O-] ZINC001609716291 1019556708 /nfs/dbraw/zinc/55/67/08/1019556708.db2.gz CGXREYDPOXLSLM-ZDUSSCGKSA-N -1 0 323.397 -0.233 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@@H](O)c1cccnc1)C(=O)[O-] ZINC001609716404 1019556733 /nfs/dbraw/zinc/55/67/33/1019556733.db2.gz HGLUYKAWTFIIOH-RYUDHWBXSA-N -1 0 310.306 -0.116 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC[C@@H]2NC(=O)OC[C@H]2C1)C(=O)[O-] ZINC001609716854 1019556759 /nfs/dbraw/zinc/55/67/59/1019556759.db2.gz XLTMQJFHVCQYMZ-SCVCMEIPSA-N -1 0 313.354 -0.358 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001609747717 1019558065 /nfs/dbraw/zinc/55/80/65/1019558065.db2.gz HFZXCKUDOGASHG-FPVGNUTFSA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC[C@@H](C)S(=O)(=O)CC1)C(=O)[O-] ZINC001609747224 1019558148 /nfs/dbraw/zinc/55/81/48/1019558148.db2.gz HSBAPIYTQFFUJU-DTWKUNHWSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@H](Cc1cnn(C)c1)NC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001609750251 1019559297 /nfs/dbraw/zinc/55/92/97/1019559297.db2.gz OGHIBKUFQMHNGD-USWWRNFRSA-N -1 0 310.354 -0.172 20 0 DBADRM C[C@H](CO)NC(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001609747429 1019560008 /nfs/dbraw/zinc/56/00/08/1019560008.db2.gz UBABDYVJJWPWIJ-ZCFIWIBFSA-N -1 0 315.351 -0.059 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001609751896 1019561255 /nfs/dbraw/zinc/56/12/55/1019561255.db2.gz SCMINQQUBRWJQN-QMTHXVAHSA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)C(=O)NCCF ZINC001609783741 1019562063 /nfs/dbraw/zinc/56/20/63/1019562063.db2.gz XJZCEGDBVBSILA-ZETCQYMHSA-N -1 0 319.314 -0.468 20 0 DBADRM CC(C)(CCNC(=O)[C@@H]1CC(C(=O)[O-])=NO1)S(C)(=O)=O ZINC001609782751 1019562603 /nfs/dbraw/zinc/56/26/03/1019562603.db2.gz IZBVQRVJTWLZLX-QMMMGPOBSA-N -1 0 306.340 -0.455 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1c(=O)cnc2ccccc21)C(=O)[O-] ZINC001609784797 1019562823 /nfs/dbraw/zinc/56/28/23/1019562823.db2.gz NYPDBWVLIUEWEZ-CQSZACIVSA-N -1 0 305.290 -0.652 20 0 DBADRM C[C@@H](OC(=O)[C@H](C)N1C(=O)CCC1=O)c1cn(CC(=O)[O-])nn1 ZINC001609788820 1019563722 /nfs/dbraw/zinc/56/37/22/1019563722.db2.gz FCUZGNSEHAFYJI-JGVFFNPUSA-N -1 0 324.293 -0.496 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)CC1 ZINC001609788353 1019564499 /nfs/dbraw/zinc/56/44/99/1019564499.db2.gz HYNLEGOOUZWWEN-VIFPVBQESA-N -1 0 322.321 -0.163 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001609788785 1019565326 /nfs/dbraw/zinc/56/53/26/1019565326.db2.gz YNSFWCHGBZAPHG-MRVPVSSYSA-N -1 0 321.326 -0.112 20 0 DBADRM C[C@](O)(Cn1cnc2c(cnn2CC(=O)[O-])c1=O)C(F)(F)F ZINC001609789716 1019565592 /nfs/dbraw/zinc/56/55/92/1019565592.db2.gz UAHQOJFCKQMBSM-JTQLQIEISA-N -1 0 320.227 -0.009 20 0 DBADRM C[C@H](OC(=O)CNC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC001609795322 1019566656 /nfs/dbraw/zinc/56/66/56/1019566656.db2.gz XSVRAKSGCNGMOK-ZETCQYMHSA-N -1 0 304.299 -0.356 20 0 DBADRM C[C@@H](OC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)Nc1ncccn1 ZINC001609797874 1019566739 /nfs/dbraw/zinc/56/67/39/1019566739.db2.gz DXFQJXFJPOEQBD-SSDOTTSWSA-N -1 0 320.265 -0.663 20 0 DBADRM C[C@H](OC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)NCC(=O)[O-] ZINC001609798391 1019566980 /nfs/dbraw/zinc/56/69/80/1019566980.db2.gz UAMJLCFXYLFGOI-ZETCQYMHSA-N -1 0 322.273 -0.236 20 0 DBADRM C[C@H](OC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)Nc1ncccn1 ZINC001609797877 1019567228 /nfs/dbraw/zinc/56/72/28/1019567228.db2.gz DXFQJXFJPOEQBD-ZETCQYMHSA-N -1 0 320.265 -0.663 20 0 DBADRM C[C@H](OC(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)NCC(=O)[O-] ZINC001609791496 1019567444 /nfs/dbraw/zinc/56/74/44/1019567444.db2.gz APWPQVYXGPJEJT-DTWKUNHWSA-N -1 0 321.351 -0.666 20 0 DBADRM C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1N)C(=O)[O-] ZINC001609794666 1019567548 /nfs/dbraw/zinc/56/75/48/1019567548.db2.gz RBFKOMPRZBPLEM-ZETCQYMHSA-N -1 0 302.308 -0.437 20 0 DBADRM C[C@@H](OC(=O)Cc1nc(C2CC2)nn1C)C(=O)NCC(=O)[O-] ZINC001609800049 1019567599 /nfs/dbraw/zinc/56/75/99/1019567599.db2.gz SSHWWHABNMSMGM-SSDOTTSWSA-N -1 0 310.310 -0.633 20 0 DBADRM C[C@@H](O)CN1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC001609791310 1019567824 /nfs/dbraw/zinc/56/78/24/1019567824.db2.gz OYEDHLSZJNAVAM-LLVKDONJSA-N -1 0 320.411 -0.431 20 0 DBADRM C[C@@H](OC(=O)CS(C)(=O)=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001609798817 1019568110 /nfs/dbraw/zinc/56/81/10/1019568110.db2.gz KNFSVKYECKOQPR-MRVPVSSYSA-N -1 0 321.351 -0.714 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)O[C@@H](C)C(=O)C(C)(C)C(=O)[O-])nn1 ZINC001609798904 1019568338 /nfs/dbraw/zinc/56/83/38/1019568338.db2.gz LHJXODMCZGGCPF-SFYZADRCSA-N -1 0 313.310 -0.057 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCc2cnn(C)c2C1)C(=O)NCC(=O)[O-] ZINC001609791966 1019568678 /nfs/dbraw/zinc/56/86/78/1019568678.db2.gz DMIFCRTWOWCUPO-IUCAKERBSA-N -1 0 309.322 -0.343 20 0 DBADRM C[C@H](OC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)C(=O)[O-] ZINC001609801013 1019568764 /nfs/dbraw/zinc/56/87/64/1019568764.db2.gz WUTUAKHSAZPSGV-QMMMGPOBSA-N -1 0 306.274 -0.075 20 0 DBADRM C[C@@H](OC(=O)c1cc(S(N)(=O)=O)ccc1F)C(=O)C(=O)[O-] ZINC001609796760 1019568810 /nfs/dbraw/zinc/56/88/10/1019568810.db2.gz NBDFSEPTPAFYLD-RXMQYKEDSA-N -1 0 319.266 -0.328 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)CCN2C(=O)CCNC2=S)C1 ZINC001609811487 1019570167 /nfs/dbraw/zinc/57/01/67/1019570167.db2.gz INBVKGOBDDPWRE-ZDUSSCGKSA-N -1 0 313.379 -0.194 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)NCCC2CS(=O)(=O)C2)C1 ZINC001609812667 1019570449 /nfs/dbraw/zinc/57/04/49/1019570449.db2.gz OOVXULBMUKXQQG-LBPRGKRZSA-N -1 0 304.368 -0.073 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)Cn2nc3n(c2=O)CCCCC3)C1 ZINC001609812151 1019571472 /nfs/dbraw/zinc/57/14/72/1019571472.db2.gz NIDFIDNDJQSOJA-UHFFFAOYSA-N -1 0 308.338 -0.296 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC001609812608 1019571613 /nfs/dbraw/zinc/57/16/13/1019571613.db2.gz BCKMHRLZUJBBBM-LBPRGKRZSA-N -1 0 319.383 -0.616 20 0 DBADRM C[C@H](c1ccccc1)[C@@H](NCC(=O)NCCC(=O)[O-])C(N)=O ZINC001609807090 1019571645 /nfs/dbraw/zinc/57/16/45/1019571645.db2.gz FAGPCWUSMQAXIB-QMTHXVAHSA-N -1 0 307.350 -0.176 20 0 DBADRM C[C@@H](c1ccccc1)[C@H](NCC(=O)NCCC(=O)[O-])C(N)=O ZINC001609807083 1019571776 /nfs/dbraw/zinc/57/17/76/1019571776.db2.gz FAGPCWUSMQAXIB-HZMBPMFUSA-N -1 0 307.350 -0.176 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCCO1 ZINC001609822895 1019572770 /nfs/dbraw/zinc/57/27/70/1019572770.db2.gz KYOGQOKAOARSCF-IINYFYTJSA-N -1 0 314.338 -0.626 20 0 DBADRM CC1(C)OCC(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CO1 ZINC001609819175 1019572792 /nfs/dbraw/zinc/57/27/92/1019572792.db2.gz BXTUMXRNXQAMGZ-WPRPVWTQSA-N -1 0 302.327 -0.385 20 0 DBADRM C[C@]1(CCC(=O)[O-])NC(=O)N(Cc2ncnn2CCF)C1=O ZINC001609824175 1019573690 /nfs/dbraw/zinc/57/36/90/1019573690.db2.gz YYIHXAQUIFBJFX-GFCCVEGCSA-N -1 0 313.289 -0.077 20 0 DBADRM CC1=C(C)CN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001609829028 1019573868 /nfs/dbraw/zinc/57/38/68/1019573868.db2.gz VXSZPUNTHFKQNS-NWDGAFQWSA-N -1 0 310.350 -0.151 20 0 DBADRM CC1=C(C)CN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1 ZINC001609829030 1019574707 /nfs/dbraw/zinc/57/47/07/1019574707.db2.gz VXSZPUNTHFKQNS-VXGBXAGGSA-N -1 0 310.350 -0.151 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001609829915 1019574981 /nfs/dbraw/zinc/57/49/81/1019574981.db2.gz GHGHFQAETGXEIE-MRVPVSSYSA-N -1 0 313.335 -0.369 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCC[C@@H](CCO)C1 ZINC001609835075 1019577020 /nfs/dbraw/zinc/57/70/20/1019577020.db2.gz OPQPVNOEGCVLOK-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCc1ccn(C)n1 ZINC001609833857 1019577567 /nfs/dbraw/zinc/57/75/67/1019577567.db2.gz KYRYYQFGMHBMNX-ONGXEEELSA-N -1 0 308.338 -0.600 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001609833320 1019577778 /nfs/dbraw/zinc/57/77/78/1019577778.db2.gz LAXUBPZWZRYMJL-NKWVEPMBSA-N -1 0 302.308 -0.138 20 0 DBADRM CC1CCN(C(=O)C(=O)NCCn2cc(C(=O)[O-])nn2)CC1 ZINC001609856689 1019578637 /nfs/dbraw/zinc/57/86/37/1019578637.db2.gz LCEBTPOKMSBBNO-UHFFFAOYSA-N -1 0 309.326 -0.649 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@H](C(=O)[O-])C1 ZINC001609858964 1019578800 /nfs/dbraw/zinc/57/88/00/1019578800.db2.gz CHYUPUSHYSWRCJ-KOLCDFICSA-N -1 0 319.321 -0.397 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CCCO1 ZINC001609862454 1019578991 /nfs/dbraw/zinc/57/89/91/1019578991.db2.gz IDTXKKGKHLQEMZ-MRVPVSSYSA-N -1 0 310.310 -0.306 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C[C@H]1F ZINC001609855034 1019579547 /nfs/dbraw/zinc/57/95/47/1019579547.db2.gz KLBOMOYGYNIIGV-LMLFDSFASA-N -1 0 316.329 -0.513 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)C[C@H]1O ZINC001609862577 1019579996 /nfs/dbraw/zinc/57/99/96/1019579996.db2.gz IRLCICOIKUQDMW-JOYOIKCWSA-N -1 0 322.317 -0.072 20 0 DBADRM C[C@@H]1C[C@H](C(=O)O[C@@H]2COC[C@H]2n2cc(C(=O)[O-])nn2)CO1 ZINC001609842293 1019580009 /nfs/dbraw/zinc/58/00/09/1019580009.db2.gz KUFXESVUQNSFDN-JZSSXWJLSA-N -1 0 311.294 -0.116 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)O[C@@H]2COC[C@H]2n2cc(C(=O)[O-])nn2)CO1 ZINC001609842299 1019580032 /nfs/dbraw/zinc/58/00/32/1019580032.db2.gz KUFXESVUQNSFDN-YJFSRANCSA-N -1 0 311.294 -0.116 20 0 DBADRM CC(C)c1noc(CCNC(=O)C(=O)N(C)CCC(=O)[O-])n1 ZINC001609863268 1019580118 /nfs/dbraw/zinc/58/01/18/1019580118.db2.gz SKBOUDXCRCNTNZ-UHFFFAOYSA-N -1 0 312.326 -0.215 20 0 DBADRM C[C@H]1CCCCN1C(=O)COC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001609852342 1019580284 /nfs/dbraw/zinc/58/02/84/1019580284.db2.gz HOSIOYTVFVPGLE-VIFPVBQESA-N -1 0 310.310 -0.080 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001609856873 1019580525 /nfs/dbraw/zinc/58/05/25/1019580525.db2.gz WPFNCCDZPOPLNC-MRVPVSSYSA-N -1 0 315.355 -0.438 20 0 DBADRM C[C@H]1CN(CN2C[C@@H](C(=O)[O-])OC2=O)C[C@]2(CCOC2)O1 ZINC001609873677 1019583289 /nfs/dbraw/zinc/58/32/89/1019583289.db2.gz KRZXBNCDOGFOMS-KWBADKCTSA-N -1 0 300.311 -0.271 20 0 DBADRM CC(C)[C@@H](C)C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001505901855 1019583924 /nfs/dbraw/zinc/58/39/24/1019583924.db2.gz QYDJRIOMXLWMTD-BDAKNGLRSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H]1OC(=O)N[C@H]1C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001609880456 1019585480 /nfs/dbraw/zinc/58/54/80/1019585480.db2.gz WWDSQYMHWGRAFV-GMSGAONNSA-N -1 0 314.294 -0.650 20 0 DBADRM C/C=C\C[C@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001609881075 1019585495 /nfs/dbraw/zinc/58/54/95/1019585495.db2.gz LAVNDDJCODYBCR-UMBAGQNISA-N -1 0 324.337 -0.342 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)N(C)C1CC1 ZINC001609875259 1019586196 /nfs/dbraw/zinc/58/61/96/1019586196.db2.gz UMRXDYQPIACZHE-SNVBAGLBSA-N -1 0 305.400 -0.194 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)N[C@H](CC(=O)[O-])C(=O)OC)C1 ZINC001609883512 1019586888 /nfs/dbraw/zinc/58/68/88/1019586888.db2.gz OWUAAFGWXBIFNL-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)OCC(=O)NC1CCN(C(C)=O)CC1 ZINC001609891769 1019588712 /nfs/dbraw/zinc/58/87/12/1019588712.db2.gz KQKBEZOSLHXRTN-LLVKDONJSA-N -1 0 314.338 -0.233 20 0 DBADRM CC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)NC)nc1)C(=O)[O-] ZINC001609896538 1019588860 /nfs/dbraw/zinc/58/88/60/1019588860.db2.gz SEYLXCCRPIXYQL-GFCCVEGCSA-N -1 0 315.351 -0.027 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](C)O[C@@H](CO)C1)C(=O)[O-] ZINC001609897962 1019588943 /nfs/dbraw/zinc/58/89/43/1019588943.db2.gz AZGOJQKOJHGWHM-WGBDABJCSA-N -1 0 302.371 -0.317 20 0 DBADRM CC[C@@H](C)C[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)[O-] ZINC001609904844 1019589343 /nfs/dbraw/zinc/58/93/43/1019589343.db2.gz MYGPYKYRIBEEPP-NXEZZACHSA-N -1 0 311.338 -0.068 20 0 DBADRM C[C@H](CN(C)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC001609902737 1019589763 /nfs/dbraw/zinc/58/97/63/1019589763.db2.gz YGNFNEPLVZDRTQ-MWLCHTKSSA-N -1 0 323.353 -0.113 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)C[C@@H]1O ZINC001609948602 1019591636 /nfs/dbraw/zinc/59/16/36/1019591636.db2.gz XDMJADRGMCSUEA-ONGXEEELSA-N -1 0 324.337 -0.556 20 0 DBADRM CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001609945876 1019591914 /nfs/dbraw/zinc/59/19/14/1019591914.db2.gz BVHGTTNXYLUKIK-RHYQMDGZSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H](NCCS(=O)(=O)CC(=O)[O-])c1nnc2ccccn21 ZINC001609943008 1019592253 /nfs/dbraw/zinc/59/22/53/1019592253.db2.gz BKINTNCYBQPXFB-VIFPVBQESA-N -1 0 312.351 -0.121 20 0 DBADRM CC[C@@H](CNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001609922799 1019592322 /nfs/dbraw/zinc/59/23/22/1019592322.db2.gz ZUIKETAOMDVBIL-UWVGGRQHSA-N -1 0 306.384 -0.668 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1ccc(Cl)nc1)C(=O)[O-] ZINC001609943088 1019592441 /nfs/dbraw/zinc/59/24/41/1019592441.db2.gz GZOUYKDAQROBOX-NSHDSACASA-N -1 0 301.686 -0.375 20 0 DBADRM CC[C@@H]1CN(CC(=O)NCCC(=O)[O-])C[C@]2(CCOC2)O1 ZINC001609947420 1019592996 /nfs/dbraw/zinc/59/29/96/1019592996.db2.gz NMKWKUAIUKJMPB-RISCZKNCSA-N -1 0 300.355 -0.153 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)COC2)C(=O)[O-] ZINC001609943325 1019593040 /nfs/dbraw/zinc/59/30/40/1019593040.db2.gz UDJPMTTUXKXHCU-AWEZNQCLSA-N -1 0 308.290 -0.393 20 0 DBADRM CC[C@H](COC)NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001609926114 1019593058 /nfs/dbraw/zinc/59/30/58/1019593058.db2.gz JXULARQHKJBCBQ-NXEZZACHSA-N -1 0 302.327 -0.770 20 0 DBADRM C[C@@H](NCCS(=O)(=O)CC(=O)[O-])c1nnc2ccccn21 ZINC001609943004 1019593696 /nfs/dbraw/zinc/59/36/96/1019593696.db2.gz BKINTNCYBQPXFB-SECBINFHSA-N -1 0 312.351 -0.121 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)C[C@@H]1O ZINC001609948600 1019594048 /nfs/dbraw/zinc/59/40/48/1019594048.db2.gz XDMJADRGMCSUEA-KOLCDFICSA-N -1 0 324.337 -0.556 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001609973426 1019594693 /nfs/dbraw/zinc/59/46/93/1019594693.db2.gz VXCCVRALVJFQSR-GHMZBOCLSA-N -1 0 300.355 -0.071 20 0 DBADRM O=C(CC1CC1)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001505915650 1019595084 /nfs/dbraw/zinc/59/50/84/1019595084.db2.gz NCMNDVNHMRVJKB-UHFFFAOYSA-N -1 0 309.326 -0.746 20 0 DBADRM CCCN1C[C@@H](C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CC1=O ZINC001609978557 1019595747 /nfs/dbraw/zinc/59/57/47/1019595747.db2.gz OVXLAKHORMZARZ-AAEUAGOBSA-N -1 0 312.366 -0.071 20 0 DBADRM CCC[C@](C)(NC(=O)CN1CCN(CC)C(=O)C1=O)C(=O)[O-] ZINC001609953920 1019595983 /nfs/dbraw/zinc/59/59/83/1019595983.db2.gz IIIIGAWKYUSHEG-AWEZNQCLSA-N -1 0 313.354 -0.563 20 0 DBADRM CCC[C@]1(C)C(=O)NCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001609958429 1019596322 /nfs/dbraw/zinc/59/63/22/1019596322.db2.gz YFZFWJZSKGGTBF-CYBMUJFWSA-N -1 0 309.326 -0.507 20 0 DBADRM C[C@@](O)(CNC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)[O-] ZINC001609955227 1019596384 /nfs/dbraw/zinc/59/63/84/1019596384.db2.gz BMGWUUVXXNXIFU-GFCCVEGCSA-N -1 0 316.335 -0.960 20 0 DBADRM CCOC(=O)[C@@H](CO)NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC001610013539 1019606050 /nfs/dbraw/zinc/60/60/50/1019606050.db2.gz QLWLVXZLIBSDEH-ZCFIWIBFSA-N -1 0 323.348 -0.351 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001609981836 1019597761 /nfs/dbraw/zinc/59/77/61/1019597761.db2.gz BQYOWWMUDOGYBR-IMSIIYSGSA-N -1 0 313.354 -0.227 20 0 DBADRM CCN1C[C@H](NS(=O)(=O)c2cncc(C(=O)[O-])c2)CC1=O ZINC001610005125 1019598305 /nfs/dbraw/zinc/59/83/05/1019598305.db2.gz ZUSLDBMZSJVHQM-SECBINFHSA-N -1 0 313.335 -0.321 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)c1ccc(S(=O)(=O)NC)nc1 ZINC001610001057 1019599679 /nfs/dbraw/zinc/59/96/79/1019599679.db2.gz IEESVDJJNILVBV-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM CCN(CC)C(=O)N1CCN([C@@H](C)C(=O)NCC(=O)[O-])CC1 ZINC001609996857 1019599725 /nfs/dbraw/zinc/59/97/25/1019599725.db2.gz BEWAYGLRVJFJEM-NSHDSACASA-N -1 0 314.386 -0.345 20 0 DBADRM CCN1C[C@@H](C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1=O ZINC001610005795 1019601037 /nfs/dbraw/zinc/60/10/37/1019601037.db2.gz LTISEOKFEYLGHH-VHSXEESVSA-N -1 0 321.337 -0.382 20 0 DBADRM CCNC(=O)CC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001610007373 1019601747 /nfs/dbraw/zinc/60/17/47/1019601747.db2.gz MFCPOAINRGMMBF-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@H]([NH3+])CCC(=O)[O-])[C@@H]1CCCOC1 ZINC001610011675 1019602386 /nfs/dbraw/zinc/60/23/86/1019602386.db2.gz AYUCDBCBLNHUFK-CKYFFXLPSA-N -1 0 316.354 -0.347 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001610007413 1019603493 /nfs/dbraw/zinc/60/34/93/1019603493.db2.gz QKEUGJUYMWTAOL-UHFFFAOYSA-N -1 0 310.310 -0.733 20 0 DBADRM CCN1C[C@H](C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1=O ZINC001610005797 1019603667 /nfs/dbraw/zinc/60/36/67/1019603667.db2.gz LTISEOKFEYLGHH-ZJUUUORDSA-N -1 0 321.337 -0.382 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001610032097 1019605353 /nfs/dbraw/zinc/60/53/53/1019605353.db2.gz YILFHMMFDAJMMW-UWVGGRQHSA-N -1 0 307.368 -0.241 20 0 DBADRM CCOC(=O)[C@H]1CSCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001610014862 1019605393 /nfs/dbraw/zinc/60/53/93/1019605393.db2.gz SZHFBCQYWBNJJA-MRVPVSSYSA-N -1 0 314.323 -0.559 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001610015839 1019605832 /nfs/dbraw/zinc/60/58/32/1019605832.db2.gz BRPGIFDXZRGJED-LLVKDONJSA-N -1 0 323.367 -0.573 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001610032116 1019606188 /nfs/dbraw/zinc/60/61/88/1019606188.db2.gz YVERELGCXXKDIY-CABZTGNLSA-N -1 0 310.354 -0.132 20 0 DBADRM C[C@H](c1cccnc1)N(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001610018976 1019606572 /nfs/dbraw/zinc/60/65/72/1019606572.db2.gz QLUPNYUEUVNEOQ-PWSUYJOCSA-N -1 0 321.333 -0.087 20 0 DBADRM CCS(=O)(=O)CCCNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001610049843 1019608449 /nfs/dbraw/zinc/60/84/49/1019608449.db2.gz WDAFEZUHEQTCOL-VHSXEESVSA-N -1 0 322.383 -0.712 20 0 DBADRM CCO[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001610037896 1019608611 /nfs/dbraw/zinc/60/86/11/1019608611.db2.gz IHTNCVZRMYMSPG-MWLCHTKSSA-N -1 0 318.351 -0.195 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)n1 ZINC001610086224 1019610240 /nfs/dbraw/zinc/61/02/40/1019610240.db2.gz XJNUIZINCPFMFW-UWVGGRQHSA-N -1 0 323.353 -0.456 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001610068817 1019610278 /nfs/dbraw/zinc/61/02/78/1019610278.db2.gz ZJYBPGYTLUWKTJ-FNJFIEHPSA-N -1 0 316.379 -0.713 20 0 DBADRM CCn1c2ccccc2n(CC(=O)NC[C@H](O)C(=O)[O-])c1=O ZINC001610080815 1019610299 /nfs/dbraw/zinc/61/02/99/1019610299.db2.gz OZBPQEISWIJTAB-NSHDSACASA-N -1 0 307.306 -0.615 20 0 DBADRM CCn1cc(CNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)cn1 ZINC001610083029 1019610581 /nfs/dbraw/zinc/61/05/81/1019610581.db2.gz XORGVJFVKLHUAQ-UHFFFAOYSA-N -1 0 320.309 -0.410 20 0 DBADRM CCn1nc(C(=O)N2CC[C@H](OC)C[C@H]2C(=O)[O-])ccc1=O ZINC001610083753 1019611787 /nfs/dbraw/zinc/61/17/87/1019611787.db2.gz POOJZJCGKOTVCF-ONGXEEELSA-N -1 0 309.322 -0.033 20 0 DBADRM CCn1ccc(=O)n(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1=O ZINC001610083553 1019611966 /nfs/dbraw/zinc/61/19/66/1019611966.db2.gz ZHBYRVWLXAAORM-JTQLQIEISA-N -1 0 311.338 -0.355 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001610084090 1019611983 /nfs/dbraw/zinc/61/19/83/1019611983.db2.gz HQRNAOGYMMJDIV-WCBMZHEXSA-N -1 0 303.340 -0.498 20 0 DBADRM CCn1ncnc1CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001610085766 1019612011 /nfs/dbraw/zinc/61/20/11/1019612011.db2.gz HWICMIKFHJBPJP-UHFFFAOYSA-N -1 0 317.352 -0.069 20 0 DBADRM CCn1nc(C)c(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001610084492 1019612078 /nfs/dbraw/zinc/61/20/78/1019612078.db2.gz DVJODEMIGBITJU-UWVGGRQHSA-N -1 0 311.342 -0.417 20 0 DBADRM CCn1ncc(C(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(=O)OC)n1 ZINC001610087568 1019614573 /nfs/dbraw/zinc/61/45/73/1019614573.db2.gz IFVRQZZPMVOPIT-WPRPVWTQSA-N -1 0 310.310 -0.224 20 0 DBADRM CN(C)c1noc(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC001610106826 1019616567 /nfs/dbraw/zinc/61/65/67/1019616567.db2.gz ISMUMSLXDTVINK-UHFFFAOYSA-N -1 0 315.311 -0.360 20 0 DBADRM CN(CC(=O)OCCn1cc(C(=O)[O-])nn1)[C@H]1CCSC1 ZINC001610110941 1019617057 /nfs/dbraw/zinc/61/70/57/1019617057.db2.gz SFQAMMWGUDTKDM-VIFPVBQESA-N -1 0 314.367 -0.043 20 0 DBADRM CN(CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])c1ccccc1 ZINC001610108338 1019617719 /nfs/dbraw/zinc/61/77/19/1019617719.db2.gz BPKWUNNKSNLSRI-GFCCVEGCSA-N -1 0 305.334 -0.076 20 0 DBADRM CN(C)c1cc(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)ncn1 ZINC001610105431 1019618758 /nfs/dbraw/zinc/61/87/58/1019618758.db2.gz WTANPTFOCBLJRA-DTWKUNHWSA-N -1 0 309.326 -0.158 20 0 DBADRM CN(C[C@H]1CCOC1)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001610115125 1019620058 /nfs/dbraw/zinc/62/00/58/1019620058.db2.gz WJERGIOMXMQLKH-MRVPVSSYSA-N -1 0 310.310 -0.448 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001610111449 1019620531 /nfs/dbraw/zinc/62/05/31/1019620531.db2.gz QWKWRPLNSOJAAI-NSHDSACASA-N -1 0 309.322 -0.109 20 0 DBADRM CC(C)[C@@]1(C)C[C@H]1C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575526456 1019621728 /nfs/dbraw/zinc/62/17/28/1019621728.db2.gz SGFTVDZLYHVJQE-RMLUDKJBSA-N -1 0 323.353 -0.189 20 0 DBADRM C[N@H+](CCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)CC(=O)[O-] ZINC001610116975 1019621605 /nfs/dbraw/zinc/62/16/05/1019621605.db2.gz CVPZSRDCTZKSRV-UHFFFAOYSA-N -1 0 320.305 -0.224 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])C1=O ZINC001610127494 1019623093 /nfs/dbraw/zinc/62/30/93/1019623093.db2.gz MPBYNNXZQLEIBK-QXFUBDJGSA-N -1 0 323.305 -0.881 20 0 DBADRM CN1CC[C@@H](C(=O)NCc2ccc(C(=O)[O-])cn2)S1(=O)=O ZINC001610130166 1019623370 /nfs/dbraw/zinc/62/33/70/1019623370.db2.gz YWBWSQABBZBHDM-JTQLQIEISA-N -1 0 313.335 -0.570 20 0 DBADRM CN1CC[C@H](N2C(=O)NC3(CCC(C(=O)[O-])CC3)C2=O)C1=O ZINC001610129813 1019623434 /nfs/dbraw/zinc/62/34/34/1019623434.db2.gz KCIHCSCUVNDOBM-PUUHTONNSA-N -1 0 309.322 -0.218 20 0 DBADRM CN(C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)[C@@H]1CCN(C)C1=O ZINC001610129810 1019623972 /nfs/dbraw/zinc/62/39/72/1019623972.db2.gz KBHFFRIKVSGKED-SECBINFHSA-N -1 0 322.321 -0.649 20 0 DBADRM CN1CC[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCCC2)C1=O ZINC001610133897 1019624767 /nfs/dbraw/zinc/62/47/67/1019624767.db2.gz MVJFVVHJVABUIA-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CN1CCC(=O)Nc2cc(C(=O)NC[C@H](O)C(=O)[O-])ccc21 ZINC001610135235 1019626713 /nfs/dbraw/zinc/62/67/13/1019626713.db2.gz VUWJJEMWRUEGMP-NSHDSACASA-N -1 0 307.306 -0.360 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1=O ZINC001610135092 1019628320 /nfs/dbraw/zinc/62/83/20/1019628320.db2.gz WDYZBSAGCWFOEQ-UTLUCORTSA-N -1 0 304.368 -0.220 20 0 DBADRM CNC(=O)NCC(=O)NC1(C(=O)[O-])CCC(C(=O)OC)CC1 ZINC001610141029 1019630050 /nfs/dbraw/zinc/63/00/50/1019630050.db2.gz REATVSRDFXWYHS-UHFFFAOYSA-N -1 0 315.326 -0.782 20 0 DBADRM CNC(=O)COc1cccc(CC(=O)N[C@@H](COC)C(=O)[O-])c1 ZINC001610140333 1019630120 /nfs/dbraw/zinc/63/01/20/1019630120.db2.gz VAJWNZIQFPAEQA-LBPRGKRZSA-N -1 0 324.333 -0.430 20 0 DBADRM CNC(=O)C(C)(C)CN1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001610142085 1019630262 /nfs/dbraw/zinc/63/02/62/1019630262.db2.gz IGLTYIUEYJGDES-IUCAKERBSA-N -1 0 311.338 -0.114 20 0 DBADRM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001610142752 1019630278 /nfs/dbraw/zinc/63/02/78/1019630278.db2.gz NFJRGUSIWAYPRJ-IUCAKERBSA-N -1 0 307.372 -0.858 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001610139668 1019630311 /nfs/dbraw/zinc/63/03/11/1019630311.db2.gz VCAMMTOFZVRJCZ-RKDXNWHRSA-N -1 0 303.384 -0.030 20 0 DBADRM CNC(=O)NC(=O)CCN1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001610142053 1019630331 /nfs/dbraw/zinc/63/03/31/1019630331.db2.gz HMRFLLPFLAJYGA-DTWKUNHWSA-N -1 0 315.326 -0.830 20 0 DBADRM CNC(=O)OC[C@H]1CCCCN1CC(=O)NCCC(=O)[O-] ZINC001610141214 1019631720 /nfs/dbraw/zinc/63/17/20/1019631720.db2.gz XJVUUAXELYMANC-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)Cc2cccc(C(=O)[O-])c2)CCO1 ZINC001610139859 1019631763 /nfs/dbraw/zinc/63/17/63/1019631763.db2.gz XWQYCMDIYGNUDN-LBPRGKRZSA-N -1 0 306.318 -0.099 20 0 DBADRM COC(=O)[C@@H](CF)NS(=O)(=O)c1csnc1C(=O)[O-] ZINC001610151102 1019632967 /nfs/dbraw/zinc/63/29/67/1019632967.db2.gz NSUYQPABLTXQCU-SCSAIBSYSA-N -1 0 312.300 -0.369 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)CN[C@]1(C(=O)[O-])CCOC1 ZINC001610151066 1019633332 /nfs/dbraw/zinc/63/33/32/1019633332.db2.gz MXAPOVFZPQBBRH-IINYFYTJSA-N -1 0 316.354 -0.476 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H](CF)C(=O)[O-])cn1 ZINC001610148464 1019633931 /nfs/dbraw/zinc/63/39/31/1019633931.db2.gz HOXGYRYLCXGAPK-SSDOTTSWSA-N -1 0 305.287 -0.858 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N(C)CCCC(=O)[O-])CC1 ZINC001610146864 1019634046 /nfs/dbraw/zinc/63/40/46/1019634046.db2.gz KIVXNJZDDGKZIS-UHFFFAOYSA-N -1 0 321.399 -0.514 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@](C)(COC)C(=O)[O-])co1 ZINC001610148521 1019634087 /nfs/dbraw/zinc/63/40/87/1019634087.db2.gz KOISTHVJWVUJLS-LLVKDONJSA-N -1 0 320.323 -0.593 20 0 DBADRM CNS(=O)(=O)N1CCN(Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC001610146893 1019634180 /nfs/dbraw/zinc/63/41/80/1019634180.db2.gz KZKBMHFSNOJXQP-UHFFFAOYSA-N -1 0 317.367 -0.132 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001610146355 1019634404 /nfs/dbraw/zinc/63/44/04/1019634404.db2.gz ONPJKJFGGPFZFF-LBPRGKRZSA-N -1 0 315.351 -0.563 20 0 DBADRM CNS(=O)(=O)CC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001610147884 1019634419 /nfs/dbraw/zinc/63/44/19/1019634419.db2.gz WCYKZYQMRITWBY-UHFFFAOYSA-N -1 0 300.336 -0.407 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001610146203 1019634678 /nfs/dbraw/zinc/63/46/78/1019634678.db2.gz MCZHIFXQCNIWAL-MRVPVSSYSA-N -1 0 318.273 -0.599 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(C(=S)NCCCC(=O)[O-])CC1 ZINC001610154620 1019636506 /nfs/dbraw/zinc/63/65/06/1019636506.db2.gz GQFLZFMDWWVCNI-NSHDSACASA-N -1 0 318.395 -0.028 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001610152869 1019636659 /nfs/dbraw/zinc/63/66/59/1019636659.db2.gz LDRUFLJCZVIAEW-KOLCDFICSA-N -1 0 309.322 -0.114 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@@H](C(=O)[O-])C1 ZINC001610168349 1019638825 /nfs/dbraw/zinc/63/88/25/1019638825.db2.gz HLGXYKHIKBSULR-GHMZBOCLSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cc2ccnn2C)[C@H](C(=O)[O-])C1 ZINC001610168744 1019639337 /nfs/dbraw/zinc/63/93/37/1019639337.db2.gz IFCCQMDLCIEVQY-KOLCDFICSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001610165590 1019639359 /nfs/dbraw/zinc/63/93/59/1019639359.db2.gz LBMHBVWCUZHIPI-UTLUCORTSA-N -1 0 323.367 -0.311 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1CCC(=O)N(C)OC ZINC001610167489 1019639420 /nfs/dbraw/zinc/63/94/20/1019639420.db2.gz SSVISRHKNYRMFV-VHSXEESVSA-N -1 0 302.327 -0.266 20 0 DBADRM COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC001610179962 1019641451 /nfs/dbraw/zinc/64/14/51/1019641451.db2.gz UDOGNSANWGHXCE-NXEZZACHSA-N -1 0 322.383 -0.927 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCCC(N)=O ZINC001610178410 1019641533 /nfs/dbraw/zinc/64/15/33/1019641533.db2.gz XIYBFTDXEWDGCC-BDAKNGLRSA-N -1 0 300.311 -0.493 20 0 DBADRM COC(=O)[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001610176852 1019641546 /nfs/dbraw/zinc/64/15/46/1019641546.db2.gz FPRDCHPFIBCBML-MRVPVSSYSA-N -1 0 319.291 -0.460 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCN(C)C1=O ZINC001610179134 1019641599 /nfs/dbraw/zinc/64/15/99/1019641599.db2.gz YUGVYVXDMNKBTJ-BBBLOLIVSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1nnc2ccccc2n1)C(=O)[O-] ZINC001610176683 1019642270 /nfs/dbraw/zinc/64/22/70/1019642270.db2.gz AALFWNCSVOIFID-VIFPVBQESA-N -1 0 304.262 -0.229 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1nnc2ccccc2n1)C(=O)[O-] ZINC001610176680 1019642790 /nfs/dbraw/zinc/64/27/90/1019642790.db2.gz AALFWNCSVOIFID-SECBINFHSA-N -1 0 304.262 -0.229 20 0 DBADRM COC(=O)C[C@H]1COCCN1CN1C[C@@H](C(=O)[O-])OC1=O ZINC001610181359 1019642805 /nfs/dbraw/zinc/64/28/05/1019642805.db2.gz UQXPZEZROMBUPI-IUCAKERBSA-N -1 0 302.283 -0.887 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@H]1CCN(C)C1=O ZINC001610179135 1019642960 /nfs/dbraw/zinc/64/29/60/1019642960.db2.gz YUGVYVXDMNKBTJ-GUBZILKMSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CCc2ncncc2C1 ZINC001610182342 1019645192 /nfs/dbraw/zinc/64/51/92/1019645192.db2.gz XZSOFTHUVIMYSK-VIFPVBQESA-N -1 0 307.306 -0.332 20 0 DBADRM COC(=O)Cc1csc(NC(=O)CN(C)CC(=O)[O-])n1 ZINC001610187683 1019647079 /nfs/dbraw/zinc/64/70/79/1019647079.db2.gz MOSFQSMPWMYMER-UHFFFAOYSA-N -1 0 301.324 -0.187 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)C1 ZINC001610192295 1019647239 /nfs/dbraw/zinc/64/72/39/1019647239.db2.gz NRFOCQHTSHNQDC-MXWKQRLJSA-N -1 0 313.354 -0.404 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cc(=O)c(OC)co1 ZINC001610193123 1019647256 /nfs/dbraw/zinc/64/72/56/1019647256.db2.gz GXFOMQSRXNFGKN-SSDOTTSWSA-N -1 0 313.262 -0.215 20 0 DBADRM COC(=O)C[C@@H](OC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC001610188587 1019648160 /nfs/dbraw/zinc/64/81/60/1019648160.db2.gz WZPMRZKQDPNTMD-SFYZADRCSA-N -1 0 308.308 -0.487 20 0 DBADRM COC(=O)NCC(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001610186922 1019648611 /nfs/dbraw/zinc/64/86/11/1019648611.db2.gz CHWDMWPEDNQYEP-UHFFFAOYSA-N -1 0 316.310 -0.211 20 0 DBADRM COC(=O)C[C@@H](OC(=O)[C@@]12CCC(=O)N1CCS2)C(=O)[O-] ZINC001610187809 1019648863 /nfs/dbraw/zinc/64/88/63/1019648863.db2.gz RPADBKBGWRZHHX-KRTXAFLBSA-N -1 0 317.319 -0.389 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CC(=O)NC[C@@H]1CCCO1 ZINC001610197285 1019650603 /nfs/dbraw/zinc/65/06/03/1019650603.db2.gz NUGPJXXIGZCFGZ-QMMMGPOBSA-N -1 0 311.294 -0.337 20 0 DBADRM COC(=O)c1cc(CN2CCNC(=O)[C@H]2CC(=O)[O-])n(C)c1C ZINC001610200345 1019650665 /nfs/dbraw/zinc/65/06/65/1019650665.db2.gz JFYPULFMSLOMBU-GFCCVEGCSA-N -1 0 323.349 -0.105 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)NC(C)(C)C(=O)[O-] ZINC001610194149 1019651063 /nfs/dbraw/zinc/65/10/63/1019651063.db2.gz MVEPKLYTFDSJEQ-UHFFFAOYSA-N -1 0 305.312 -0.354 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CCN2CCCS2(=O)=O)n1 ZINC001610196471 1019651199 /nfs/dbraw/zinc/65/11/99/1019651199.db2.gz ZGWDJEQOHZXSQS-UHFFFAOYSA-N -1 0 317.323 -0.597 20 0 DBADRM COC(=O)c1cnc(C(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)cn1 ZINC001610218187 1019651420 /nfs/dbraw/zinc/65/14/20/1019651420.db2.gz PXSLNZJZJLKQEF-JTQLQIEISA-N -1 0 319.277 -0.448 20 0 DBADRM CCC[C@]1(C)C(=O)NCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001610195264 1019651516 /nfs/dbraw/zinc/65/15/16/1019651516.db2.gz JCNCTUNNIFNLHI-GFCCVEGCSA-N -1 0 306.384 -0.524 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN1CCO[C@@H](CF)C1 ZINC001610197390 1019651730 /nfs/dbraw/zinc/65/17/30/1019651730.db2.gz ACCYKDNBKCOHGH-QMMMGPOBSA-N -1 0 301.274 -0.004 20 0 DBADRM CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001610237055 1019653276 /nfs/dbraw/zinc/65/32/76/1019653276.db2.gz WMDVHSMTZANGCP-PSASIEDQSA-N -1 0 324.337 -0.012 20 0 DBADRM COCC(=O)N(C)CC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC001610240241 1019653324 /nfs/dbraw/zinc/65/33/24/1019653324.db2.gz BQIFYROVXUEAJE-LLVKDONJSA-N -1 0 316.354 -0.427 20 0 DBADRM CO[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001610237059 1019654122 /nfs/dbraw/zinc/65/41/22/1019654122.db2.gz WMDVHSMTZANGCP-WPRPVWTQSA-N -1 0 324.337 -0.012 20 0 DBADRM CO[C@H](C)CCC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001610225050 1019654392 /nfs/dbraw/zinc/65/43/92/1019654392.db2.gz IHOZOGMHCJCHOE-SECBINFHSA-N -1 0 307.368 -0.050 20 0 DBADRM COC[C@@H](NC(=O)Cc1c(C)nc2nc(N)nn2c1C)C(=O)[O-] ZINC001610245907 1019655151 /nfs/dbraw/zinc/65/51/51/1019655151.db2.gz IHMHJJAAYITYQV-SECBINFHSA-N -1 0 322.325 -0.918 20 0 DBADRM COC[C@@H](NC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C)C(=O)[O-] ZINC001610245819 1019655348 /nfs/dbraw/zinc/65/53/48/1019655348.db2.gz IATSVPAAMRUFSF-DTWKUNHWSA-N -1 0 309.326 -0.221 20 0 DBADRM COC[C@](C)(NCc1nnnn1CC1CCOCC1)C(=O)[O-] ZINC001610245159 1019656249 /nfs/dbraw/zinc/65/62/49/1019656249.db2.gz ZTAVXKWHCPBQEC-ZDUSSCGKSA-N -1 0 313.358 -0.321 20 0 DBADRM COC[C@H](NC(=O)C1CCN(Cc2nccn2C)CC1)C(=O)[O-] ZINC001610246407 1019656320 /nfs/dbraw/zinc/65/63/20/1019656320.db2.gz LPYZULJEDJLICT-LBPRGKRZSA-N -1 0 324.381 -0.152 20 0 DBADRM COCC(=O)NCCC(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001610241829 1019656690 /nfs/dbraw/zinc/65/66/90/1019656690.db2.gz RTIVHQUTEFVPFB-UHFFFAOYSA-N -1 0 316.354 -0.473 20 0 DBADRM COC[C@H](NC(=O)CCNC(=O)Cc1ccccc1)C(=O)[O-] ZINC001610245442 1019656736 /nfs/dbraw/zinc/65/67/36/1019656736.db2.gz AAALORBAFMAZAZ-LBPRGKRZSA-N -1 0 308.334 -0.049 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001610247744 1019658799 /nfs/dbraw/zinc/65/87/99/1019658799.db2.gz SPOYVCPQOPXCOS-AEJSXWLSSA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@@H](OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC001610247505 1019658903 /nfs/dbraw/zinc/65/89/03/1019658903.db2.gz DQVGVFREBQHWGB-SNVBAGLBSA-N -1 0 322.273 -0.255 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cccc(F)c1C(=O)[O-])C(N)=O ZINC001610249123 1019658986 /nfs/dbraw/zinc/65/89/86/1019658986.db2.gz OSPWSUWEYMQVHZ-ZETCQYMHSA-N -1 0 320.298 -0.698 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CCOC[C@@H]2CC(=O)[O-])C1=O ZINC001610251455 1019659450 /nfs/dbraw/zinc/65/94/50/1019659450.db2.gz ZFFRKHZPGVVJNH-ZANVPECISA-N -1 0 315.326 -0.924 20 0 DBADRM COCC1(S(=O)(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)CC1 ZINC001610249585 1019659581 /nfs/dbraw/zinc/65/95/81/1019659581.db2.gz KEOTVGBCVMALBC-LLVKDONJSA-N -1 0 320.411 -0.024 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1C)C(N)=O ZINC001610251353 1019659880 /nfs/dbraw/zinc/65/98/80/1019659880.db2.gz VUXBUDZNULVMQG-LURJTMIESA-N -1 0 306.296 -0.935 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)OC ZINC001610250953 1019659913 /nfs/dbraw/zinc/65/99/13/1019659913.db2.gz QIYSWHCYTJAMFL-QMMMGPOBSA-N -1 0 321.307 -0.247 20 0 DBADRM C[S@](=O)CCN1CCN(Cc2oncc2C(=O)[O-])CC1 ZINC001610378518 1019676103 /nfs/dbraw/zinc/67/61/03/1019676103.db2.gz BPWFQRYZYSAGSY-FQEVSTJZSA-N -1 0 301.368 -0.131 20 0 DBADRM COCC[C@H](COC)NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001610254634 1019661367 /nfs/dbraw/zinc/66/13/67/1019661367.db2.gz OGWRLLGSQBMILA-VXGBXAGGSA-N -1 0 318.370 -0.095 20 0 DBADRM COCCN([C@H]1CCOC1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001610257952 1019661466 /nfs/dbraw/zinc/66/14/66/1019661466.db2.gz KMMFALBPGHQUHP-JTQLQIEISA-N -1 0 310.372 -0.625 20 0 DBADRM COCCCOC1CN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001610257450 1019662004 /nfs/dbraw/zinc/66/20/04/1019662004.db2.gz WFPOWVUCPCDJNS-AOOOYVTPSA-N -1 0 314.338 -0.770 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)CCO1 ZINC001610253505 1019662098 /nfs/dbraw/zinc/66/20/98/1019662098.db2.gz DRLFOYRELFPMTI-VWYCJHECSA-N -1 0 314.338 -0.818 20 0 DBADRM COCC[C@@](C)(O)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001610253076 1019662680 /nfs/dbraw/zinc/66/26/80/1019662680.db2.gz NYFCIOFXPGWYCO-GFCCVEGCSA-N -1 0 318.351 -0.154 20 0 DBADRM COCCN(CCO)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001610260439 1019662921 /nfs/dbraw/zinc/66/29/21/1019662921.db2.gz YKNPSPWSYKJHRI-GHMZBOCLSA-N -1 0 309.384 -0.100 20 0 DBADRM CSCC[C@@H](OC(=O)CN1CCCS1(=O)=O)C(=O)[O-] ZINC001610386023 1019676444 /nfs/dbraw/zinc/67/64/44/1019676444.db2.gz GHWLXJXPTQDVIO-MRVPVSSYSA-N -1 0 311.381 -0.229 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001610264035 1019663951 /nfs/dbraw/zinc/66/39/51/1019663951.db2.gz QSSYDFBEHHDDDN-LURJTMIESA-N -1 0 321.273 -0.431 20 0 DBADRM COCCNC(=O)CNC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001610261858 1019664293 /nfs/dbraw/zinc/66/42/93/1019664293.db2.gz RKFJLIPRZVXOTL-UHFFFAOYSA-N -1 0 310.310 -0.407 20 0 DBADRM COCCn1ccc(C(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001610266562 1019664341 /nfs/dbraw/zinc/66/43/41/1019664341.db2.gz ABQBSMOFFGEFOG-UHFFFAOYSA-N -1 0 308.298 -0.751 20 0 DBADRM COCCS(=O)(=O)CCCN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001610264081 1019664931 /nfs/dbraw/zinc/66/49/31/1019664931.db2.gz TXXICHWYEREACR-GFCCVEGCSA-N -1 0 323.411 -0.405 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001610267787 1019665096 /nfs/dbraw/zinc/66/50/96/1019665096.db2.gz CRCIKUBOCNEIFP-SNVBAGLBSA-N -1 0 303.336 -0.189 20 0 DBADRM COCCN1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001610261018 1019665640 /nfs/dbraw/zinc/66/56/40/1019665640.db2.gz UKDBUINKMLELEK-UHFFFAOYSA-N -1 0 322.365 -0.018 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001610260947 1019665816 /nfs/dbraw/zinc/66/58/16/1019665816.db2.gz HNQSPWOURFJVGQ-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001610275470 1019667198 /nfs/dbraw/zinc/66/71/98/1019667198.db2.gz PZZAAUUUKGXILY-PSASIEDQSA-N -1 0 311.294 -0.808 20 0 DBADRM COc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])nn1C ZINC001610300595 1019668195 /nfs/dbraw/zinc/66/81/95/1019668195.db2.gz WDZLFKTVQOJNES-HTQZYQBOSA-N -1 0 310.310 -0.263 20 0 DBADRM COCc1nocc1C(=O)N[C@H](CCC(=O)OC)C(=O)[O-] ZINC001610274270 1019668387 /nfs/dbraw/zinc/66/83/87/1019668387.db2.gz ATVLGLUGHYAYTJ-MRVPVSSYSA-N -1 0 300.267 -0.043 20 0 DBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N1CC(=O)N(C)C1 ZINC001610291238 1019668696 /nfs/dbraw/zinc/66/86/96/1019668696.db2.gz MARUGFYTEIELRA-UHFFFAOYSA-N -1 0 320.348 -0.125 20 0 DBADRM COc1ccc(C(C)=O)cc1CC(=O)NCC(=O)NCC(=O)[O-] ZINC001610319783 1019670076 /nfs/dbraw/zinc/67/00/76/1019670076.db2.gz ZPKDKQRESLALFC-UHFFFAOYSA-N -1 0 322.317 -0.243 20 0 DBADRM COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[C@](O)(C(N)=O)C2)c1 ZINC001610307634 1019670184 /nfs/dbraw/zinc/67/01/84/1019670184.db2.gz UNICUEUIRNWZJH-IUODEOHRSA-N -1 0 324.333 -0.248 20 0 DBADRM COc1ccc(NC(=O)C(=O)NCC(=O)N(C)C)c(C(=O)[O-])c1 ZINC001610340268 1019670899 /nfs/dbraw/zinc/67/08/99/1019670899.db2.gz LKHXERAJJZDMHF-UHFFFAOYSA-N -1 0 323.305 -0.464 20 0 DBADRM COc1ncncc1NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001610372118 1019674227 /nfs/dbraw/zinc/67/42/27/1019674227.db2.gz FQUKAQHGAXTXSJ-UHFFFAOYSA-N -1 0 307.270 -0.403 20 0 DBADRM COc1ccncc1NC(=O)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001610369984 1019674518 /nfs/dbraw/zinc/67/45/18/1019674518.db2.gz SEMBQRRGQBTNJU-KOLCDFICSA-N -1 0 323.305 -0.535 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)Cn2cc(C(=O)[O-])nn2)CCC1 ZINC001610372872 1019674605 /nfs/dbraw/zinc/67/46/05/1019674605.db2.gz PMLSHTWSFXETNM-UHFFFAOYSA-N -1 0 316.339 -0.940 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001610376129 1019674649 /nfs/dbraw/zinc/67/46/49/1019674649.db2.gz WNBGGOFAZLWXIY-MGCOHNPYSA-N -1 0 306.384 -0.067 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](COC(=O)c2cc(C(=O)[O-])no2)C1 ZINC001610375651 1019674907 /nfs/dbraw/zinc/67/49/07/1019674907.db2.gz PMGQZPXJAVGLFO-SSDOTTSWSA-N -1 0 318.307 -0.189 20 0 DBADRM CS(=O)(=O)NCCN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610374902 1019674951 /nfs/dbraw/zinc/67/49/51/1019674951.db2.gz DEMFOJUQZOQUDC-SECBINFHSA-N -1 0 317.371 -0.838 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCCC2(O)CCC2)C[C@H]1C(=O)[O-] ZINC001610392861 1019676051 /nfs/dbraw/zinc/67/60/51/1019676051.db2.gz NFDQVENSTZFRRI-GHMZBOCLSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@@H](O)CNC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001610391101 1019676230 /nfs/dbraw/zinc/67/62/30/1019676230.db2.gz MSPZCHJGADFERE-ZCFIWIBFSA-N -1 0 310.262 -0.451 20 0 DBADRM CS[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001610382888 1019676353 /nfs/dbraw/zinc/67/63/53/1019676353.db2.gz YXKKUDHWEDNOAV-VHSXEESVSA-N -1 0 316.379 -0.348 20 0 DBADRM C[S@@](=O)C1(CNS(=O)(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC001610379138 1019676613 /nfs/dbraw/zinc/67/66/13/1019676613.db2.gz NLMKXYLXTZQKHK-LJQANCHMSA-N -1 0 318.376 -0.031 20 0 DBADRM CS[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1 ZINC001610382954 1019676741 /nfs/dbraw/zinc/67/67/41/1019676741.db2.gz ZMCJXYPWZBULSM-KXUCPTDWSA-N -1 0 316.379 -0.756 20 0 DBADRM CSc1nc(C(=O)NCC(=O)NCC(=O)[O-])c2ccccn21 ZINC001610388823 1019677189 /nfs/dbraw/zinc/67/71/89/1019677189.db2.gz RRLVDVNKRAZQHP-UHFFFAOYSA-N -1 0 322.346 -0.013 20 0 DBADRM Cc1c(C(=O)N[C@@H](CO)C(=O)[O-])nnn1Cc1ccc(F)cc1 ZINC001610407473 1019678979 /nfs/dbraw/zinc/67/89/79/1019678979.db2.gz DCOGYANUHZYXMO-NSHDSACASA-N -1 0 322.296 -0.051 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCO[C@@H](C)C2)cnn1CC(=O)[O-] ZINC001610420932 1019679059 /nfs/dbraw/zinc/67/90/59/1019679059.db2.gz NCZMQZAHQQJETI-QMMMGPOBSA-N -1 0 310.310 -0.538 20 0 DBADRM Cc1c(C(=O)N[C@@]2(C(=O)[O-])CCOC2)nnn1-c1ccn(C)n1 ZINC001610406143 1019679189 /nfs/dbraw/zinc/67/91/89/1019679189.db2.gz FVNFRPOCZPYTGU-ZDUSSCGKSA-N -1 0 320.309 -0.717 20 0 DBADRM C[C@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)C(=O)N(C)C ZINC001610395963 1019679510 /nfs/dbraw/zinc/67/95/10/1019679510.db2.gz XNBCVNCZNFWNIY-ZETCQYMHSA-N -1 0 301.324 -0.465 20 0 DBADRM Cc1c(NC(=O)C(=O)N(C)CC2(O)CCC2)cnn1CC(=O)[O-] ZINC001610418909 1019679538 /nfs/dbraw/zinc/67/95/38/1019679538.db2.gz ZKBJMSPYMKPYOJ-UHFFFAOYSA-N -1 0 324.337 -0.412 20 0 DBADRM Cc1c(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)cnn1C ZINC001610428456 1019679693 /nfs/dbraw/zinc/67/96/93/1019679693.db2.gz PDHGULAMPKPMJL-SNVBAGLBSA-N -1 0 313.339 -0.434 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cnn1C ZINC001610419372 1019680653 /nfs/dbraw/zinc/68/06/53/1019680653.db2.gz FUIYHQSBRBJPBV-LLVKDONJSA-N -1 0 324.337 -0.649 20 0 DBADRM Cc1cc(OCC(=O)[O-])ccc1NCC(=O)N1CCNC(=O)C1 ZINC001610476051 1019683410 /nfs/dbraw/zinc/68/34/10/1019683410.db2.gz GRDJEVCZRBQCMT-UHFFFAOYSA-N -1 0 321.333 -0.171 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001610476159 1019683869 /nfs/dbraw/zinc/68/38/69/1019683869.db2.gz WMILTWFZCFNABB-GFCCVEGCSA-N -1 0 324.333 -0.045 20 0 DBADRM Cc1cc(N2CC[C@H](N3C[C@H](C(=O)[O-])C[C@H](O)C3)C2=O)n(C)n1 ZINC001610469103 1019684050 /nfs/dbraw/zinc/68/40/50/1019684050.db2.gz GJFDZHZXUWCOMC-WOPDTQHZSA-N -1 0 322.365 -0.399 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)cn(C)c1=O ZINC001610471030 1019684326 /nfs/dbraw/zinc/68/43/26/1019684326.db2.gz LJJXODLYRALYIJ-UHFFFAOYSA-N -1 0 307.306 -0.387 20 0 DBADRM Cc1csc(C(=O)[O-])c1NC(=O)C(=O)N1CC(=O)N(C)C1 ZINC001610543758 1019685561 /nfs/dbraw/zinc/68/55/61/1019685561.db2.gz GNNPBCYAYRIEDU-UHFFFAOYSA-N -1 0 311.319 -0.049 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCCn1ncnn1 ZINC001610486167 1019685689 /nfs/dbraw/zinc/68/56/89/1019685689.db2.gz CKBBWDKFZWFCTB-UHFFFAOYSA-N -1 0 318.293 -0.565 20 0 DBADRM Cc1ccc(C(=O)O[C@H](C)C(=O)C(=O)[O-])cc1S(N)(=O)=O ZINC001610491996 1019686729 /nfs/dbraw/zinc/68/67/29/1019686729.db2.gz MEXYDYVYSMJDMV-SSDOTTSWSA-N -1 0 315.303 -0.159 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H](CC[NH3+])C(=O)[O-])cc1C(=O)[O-] ZINC001610513934 1019687143 /nfs/dbraw/zinc/68/71/43/1019687143.db2.gz YTUHFGWRMLAUEW-JTQLQIEISA-N -1 0 316.335 -0.226 20 0 DBADRM Cc1nc(Cn2cc(C(=O)NCC(C)(C)C(=O)[O-])nn2)no1 ZINC001610557238 1019687833 /nfs/dbraw/zinc/68/78/33/1019687833.db2.gz VDFBSWWMOBZIBN-UHFFFAOYSA-N -1 0 308.298 -0.142 20 0 DBADRM CC/C(C)=C\C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001506042450 1019687963 /nfs/dbraw/zinc/68/79/63/1019687963.db2.gz SNYBCSRWQDXIMW-TWGQIWQCSA-N -1 0 323.353 -0.189 20 0 DBADRM Cc1ncncc1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001610565503 1019688483 /nfs/dbraw/zinc/68/84/83/1019688483.db2.gz ORMKGXNYDNBJRO-UHFFFAOYSA-N -1 0 308.338 -0.356 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)CC(C)(CO)CO)c1C(=O)[O-] ZINC001610551303 1019688665 /nfs/dbraw/zinc/68/86/65/1019688665.db2.gz ZIDSQRBJPMQBQE-UHFFFAOYSA-N -1 0 321.355 -0.972 20 0 DBADRM Cc1nc(C(=O)NC2(CC(=O)[O-])CCS(=O)(=O)CC2)no1 ZINC001610552394 1019689049 /nfs/dbraw/zinc/68/90/49/1019689049.db2.gz XZTQJDCWWBRCEH-UHFFFAOYSA-N -1 0 317.323 -0.470 20 0 DBADRM Cc1nccc(N2CCN([C@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC001610566365 1019689174 /nfs/dbraw/zinc/68/91/74/1019689174.db2.gz CVUAVDYNXLIUTH-SNVBAGLBSA-N -1 0 307.354 -0.504 20 0 DBADRM Cc1nc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c(=O)[nH]c1C ZINC001610551460 1019689641 /nfs/dbraw/zinc/68/96/41/1019689641.db2.gz CKIPDMDVVMIKCZ-LLVKDONJSA-N -1 0 309.322 -0.316 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001610568570 1019689886 /nfs/dbraw/zinc/68/98/86/1019689886.db2.gz NJIIBFJAYGCHHK-NXEZZACHSA-N -1 0 324.337 -0.731 20 0 DBADRM Cc1ncc(S(=O)(=O)NCCS(C)(=O)=O)cc1C(=O)[O-] ZINC001610565630 1019690001 /nfs/dbraw/zinc/69/00/01/1019690001.db2.gz SUFFCQSAEXUUDK-UHFFFAOYSA-N -1 0 322.364 -0.589 20 0 DBADRM Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001610569737 1019691362 /nfs/dbraw/zinc/69/13/62/1019691362.db2.gz RPSGDHOQUCVRCW-SCZZXKLOSA-N -1 0 308.338 -0.161 20 0 DBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NC[C@H](O)C(=O)[O-] ZINC001610587563 1019691817 /nfs/dbraw/zinc/69/18/17/1019691817.db2.gz OWUKJXJQFKYWPX-QMMMGPOBSA-N -1 0 320.323 -0.986 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)cc1C(=O)[O-] ZINC001610583741 1019692097 /nfs/dbraw/zinc/69/20/97/1019692097.db2.gz UARDRLOWTDIBAB-BJOHPYRUSA-N -1 0 322.317 -0.257 20 0 DBADRM Cc1noc(CNC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001610576358 1019692684 /nfs/dbraw/zinc/69/26/84/1019692684.db2.gz SUIZKIVIQXYVSP-QMMMGPOBSA-N -1 0 321.297 -0.176 20 0 DBADRM Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001610569738 1019692880 /nfs/dbraw/zinc/69/28/80/1019692880.db2.gz RPSGDHOQUCVRCW-WCBMZHEXSA-N -1 0 308.338 -0.161 20 0 DBADRM Cc1nc(NC(=O)C(=O)NCc2cc(C(=O)[O-])c(C)o2)nn1C ZINC001610583495 1019692891 /nfs/dbraw/zinc/69/28/91/1019692891.db2.gz KCIBYXLFVDANHZ-UHFFFAOYSA-N -1 0 321.293 -0.022 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-])CC2 ZINC001610574089 1019693195 /nfs/dbraw/zinc/69/31/95/1019693195.db2.gz MOABLMRJWRVWJJ-CKYFFXLPSA-N -1 0 308.338 -0.415 20 0 DBADRM Cn1cc(C(=O)NCc2ccc(C(=O)[O-])s2)c(=O)n(C)c1=O ZINC001610600375 1019694963 /nfs/dbraw/zinc/69/49/63/1019694963.db2.gz KYMPEDNUVUGZEH-UHFFFAOYSA-N -1 0 323.330 -0.226 20 0 DBADRM Cn1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001610599817 1019695194 /nfs/dbraw/zinc/69/51/94/1019695194.db2.gz UUHSQVJHWRUNND-ATZCPNFKSA-N -1 0 321.333 -0.591 20 0 DBADRM Cc1occc1C(=O)NCC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001610588122 1019695446 /nfs/dbraw/zinc/69/54/46/1019695446.db2.gz OMRSKXGPLYQEQX-ZJUUUORDSA-N -1 0 310.306 -0.388 20 0 DBADRM Cc1onc2c1c(C(=O)[O-])nn(CN1CN(C)C(=O)[C@H]1C)c2=O ZINC001610589070 1019696123 /nfs/dbraw/zinc/69/61/23/1019696123.db2.gz ZEQOYVMSOWLWOO-ZCFIWIBFSA-N -1 0 321.293 -0.531 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCCn2ccnc2)cc1C(=O)[O-] ZINC001610604334 1019697078 /nfs/dbraw/zinc/69/70/78/1019697078.db2.gz APQOAANIDZDHOQ-UHFFFAOYSA-N -1 0 305.294 -0.325 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)c3ccc(C(=O)[O-])[nH]3)C2=O)cn1 ZINC001610604054 1019697297 /nfs/dbraw/zinc/69/72/97/1019697297.db2.gz CCJNFTUOBZIQRK-JTQLQIEISA-N -1 0 317.305 -0.018 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCC2(CO)CCC2)cc1C(=O)[O-] ZINC001610604508 1019698329 /nfs/dbraw/zinc/69/83/29/1019698329.db2.gz JFSYKYNFXXFNPT-UHFFFAOYSA-N -1 0 309.322 -0.059 20 0 DBADRM Cn1ccc(N2CCC[C@@H](OC(=O)COCC(=O)[O-])C2=O)n1 ZINC001610608929 1019698463 /nfs/dbraw/zinc/69/84/63/1019698463.db2.gz VZGOQMUSELEKMM-SECBINFHSA-N -1 0 311.294 -0.440 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC001610613687 1019699605 /nfs/dbraw/zinc/69/96/05/1019699605.db2.gz FJBBRYMGQUQZIZ-DTORHVGOSA-N -1 0 324.337 -0.276 20 0 DBADRM Cn1ncc(C(=O)CN2C(=O)N[C@@](C)(CCC(=O)[O-])C2=O)n1 ZINC001610612388 1019699735 /nfs/dbraw/zinc/69/97/35/1019699735.db2.gz IOWQVQRJPGWDCG-LBPRGKRZSA-N -1 0 309.282 -0.827 20 0 DBADRM Cn1nc2c(c1NC(=O)C(=O)N1CC[C@@](F)(C(=O)[O-])C1)CCC2 ZINC001610612422 1019699876 /nfs/dbraw/zinc/69/98/76/1019699876.db2.gz JGCNCGOOVJCTCY-AWEZNQCLSA-N -1 0 324.312 -0.128 20 0 DBADRM Cn1cnn(CC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1=O ZINC001610611176 1019699935 /nfs/dbraw/zinc/69/99/35/1019699935.db2.gz DBRNEHLLCUZMEU-JTQLQIEISA-N -1 0 302.290 -0.203 20 0 DBADRM Cn1nc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1OC(F)F ZINC001610612735 1019700235 /nfs/dbraw/zinc/70/02/35/1019700235.db2.gz LTWIBKFUXPOFRP-RQJHMYQMSA-N -1 0 319.264 -0.071 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC(=O)OCC2(C(=O)[O-])CC2)c1 ZINC001610611445 1019700560 /nfs/dbraw/zinc/70/05/60/1019700560.db2.gz UYTCGFWHOZISJZ-UHFFFAOYSA-N -1 0 317.323 -0.894 20 0 DBADRM Cn1ncc(CCCNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)n1 ZINC001610614589 1019700697 /nfs/dbraw/zinc/70/06/97/1019700697.db2.gz UYVLEADOIPJCGW-KOLCDFICSA-N -1 0 311.342 -0.775 20 0 DBADRM Cn1nc2c(c1NC(=O)C(=O)N1CC[C@](F)(C(=O)[O-])C1)CCC2 ZINC001610612423 1019701131 /nfs/dbraw/zinc/70/11/31/1019701131.db2.gz JGCNCGOOVJCTCY-CQSZACIVSA-N -1 0 324.312 -0.128 20 0 DBADRM Cn1cncc1[C@H]1CC(=O)N(CN2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001610611440 1019701191 /nfs/dbraw/zinc/70/11/91/1019701191.db2.gz IFLLJKSEFLCPEL-NWDGAFQWSA-N -1 0 322.365 -0.131 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@]1(C)CCCO1 ZINC001610613557 1019701408 /nfs/dbraw/zinc/70/14/08/1019701408.db2.gz BWRVEXNUGVSSEJ-ZDUSSCGKSA-N -1 0 310.310 -0.258 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)C13CC(C(=O)[O-])(C1)C3)CC2 ZINC001610612449 1019701530 /nfs/dbraw/zinc/70/15/30/1019701530.db2.gz KFJDDJKXPOEVMQ-UHFFFAOYSA-N -1 0 303.318 -0.080 20 0 DBADRM Cn1cnc(CCCNS(=O)(=O)CC2(C(=O)[O-])CCC2)n1 ZINC001610611197 1019701625 /nfs/dbraw/zinc/70/16/25/1019701625.db2.gz HKKUDSLSAYZOGM-UHFFFAOYSA-N -1 0 316.383 -0.078 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)CC2 ZINC001610615387 1019702564 /nfs/dbraw/zinc/70/25/64/1019702564.db2.gz SFMGARUWYBBIIG-YUSALJHKSA-N -1 0 307.350 -0.181 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)Nc1c[nH]nc1C(=O)[O-])c2=O ZINC001610615772 1019702698 /nfs/dbraw/zinc/70/26/98/1019702698.db2.gz WXCQZYJZNLNWEG-UHFFFAOYSA-N -1 0 317.265 -0.810 20 0 DBADRM Cn1nccc1CC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001610616527 1019702755 /nfs/dbraw/zinc/70/27/55/1019702755.db2.gz WDVJZQGVOXPKMU-UHFFFAOYSA-N -1 0 309.322 -0.171 20 0 DBADRM Cn1nnc(CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])n1 ZINC001610617246 1019702985 /nfs/dbraw/zinc/70/29/85/1019702985.db2.gz UAKHCMBJBAUKMI-UHFFFAOYSA-N -1 0 304.266 -0.837 20 0 DBADRM Cn1ncc2cc(C(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)cnc21 ZINC001610615488 1019703240 /nfs/dbraw/zinc/70/32/40/1019703240.db2.gz VQTQBEKRESSQDR-GHMZBOCLSA-N -1 0 304.306 -0.124 20 0 DBADRM Cn1nnnc1CCNS(=O)(=O)CCCCCC(=O)[O-] ZINC001610617538 1019703923 /nfs/dbraw/zinc/70/39/23/1019703923.db2.gz ACFPTFRGDYWFTL-UHFFFAOYSA-N -1 0 305.360 -0.683 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N[C@@H](Cn1ccnc1)C(=O)[O-] ZINC001610617296 1019704122 /nfs/dbraw/zinc/70/41/22/1019704122.db2.gz VUAZPBQBDJQXBP-VIFPVBQESA-N -1 0 315.293 -0.557 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)CC2 ZINC001610615385 1019704298 /nfs/dbraw/zinc/70/42/98/1019704298.db2.gz SFMGARUWYBBIIG-USWWRNFRSA-N -1 0 307.350 -0.181 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C[C@H]1CCCS(=O)(=O)C1 ZINC001610761819 1019731708 /nfs/dbraw/zinc/73/17/08/1019731708.db2.gz MFQLQPCVXBQLHU-ZJUUUORDSA-N -1 0 304.368 -0.914 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c1 ZINC001610636243 1019705309 /nfs/dbraw/zinc/70/53/09/1019705309.db2.gz HDRBQZRKULAKBE-AAEUAGOBSA-N -1 0 322.317 -0.399 20 0 DBADRM NC(=O)[C@H](OC(=O)Cn1cc(C(=O)[O-])nn1)c1ccccc1 ZINC001610635797 1019705388 /nfs/dbraw/zinc/70/53/88/1019705388.db2.gz XKJYYYKFZBTFOH-LLVKDONJSA-N -1 0 304.262 -0.254 20 0 DBADRM NC(=O)C1(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCC1 ZINC001610634528 1019706109 /nfs/dbraw/zinc/70/61/09/1019706109.db2.gz BHGPGKXLOLSTSX-SECBINFHSA-N -1 0 321.337 -0.205 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC001610636654 1019706681 /nfs/dbraw/zinc/70/66/81/1019706681.db2.gz MIPVVCWQQIHHHM-PJXYFTJBSA-N -1 0 304.302 -0.047 20 0 DBADRM NC(=O)C[C@@H]1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC001610637204 1019706876 /nfs/dbraw/zinc/70/68/76/1019706876.db2.gz MJXJFPCZKMHDEC-VIFPVBQESA-N -1 0 304.368 -0.232 20 0 DBADRM NC(=O)c1cn(CCOC(=O)c2cncc(C(=O)[O-])c2)nn1 ZINC001610639831 1019707874 /nfs/dbraw/zinc/70/78/74/1019707874.db2.gz DZALLGNWRUJPMX-UHFFFAOYSA-N -1 0 305.250 -0.673 20 0 DBADRM NC(=O)CCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001610637795 1019709570 /nfs/dbraw/zinc/70/95/70/1019709570.db2.gz WUCLWBLMJYIYGR-UHFFFAOYSA-N -1 0 315.232 -0.407 20 0 DBADRM NC(=O)c1ccc(=O)n(CC(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001610639677 1019709708 /nfs/dbraw/zinc/70/97/08/1019709708.db2.gz UPTXKSOOGHQMAY-UHFFFAOYSA-N -1 0 301.258 -0.077 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001610639230 1019709730 /nfs/dbraw/zinc/70/97/30/1019709730.db2.gz ONIRWPVBJOXLII-QMMMGPOBSA-N -1 0 318.293 -0.510 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1 ZINC001610641572 1019710137 /nfs/dbraw/zinc/71/01/37/1019710137.db2.gz WPZROCICOMKDAV-QWRGUYRKSA-N -1 0 322.317 -0.542 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])nc1 ZINC001610647722 1019711147 /nfs/dbraw/zinc/71/11/47/1019711147.db2.gz MHBCADZJPQFBLV-JTQLQIEISA-N -1 0 313.335 -0.288 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])o1 ZINC001610647746 1019711406 /nfs/dbraw/zinc/71/14/06/1019711406.db2.gz NOBHNYLLONILHQ-BYPYZUCNSA-N -1 0 312.250 -0.235 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H](CC2CC2)C(=O)[O-])nc1 ZINC001610647724 1019712603 /nfs/dbraw/zinc/71/26/03/1019712603.db2.gz MHBCADZJPQFBLV-SNVBAGLBSA-N -1 0 313.335 -0.288 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CCc3nn[nH]c3C2)n1 ZINC001610663816 1019713506 /nfs/dbraw/zinc/71/35/06/1019713506.db2.gz IVEOHMBUPCLBMX-UHFFFAOYSA-N -1 0 302.294 -0.105 20 0 DBADRM O=C([O-])c1ccc(NC(=O)CN2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC001610662911 1019713856 /nfs/dbraw/zinc/71/38/56/1019713856.db2.gz UCSQRVGZFCVZMF-YPMHNXCESA-N -1 0 308.334 -0.002 20 0 DBADRM CNS(=O)(=O)NCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001610960534 1019752475 /nfs/dbraw/zinc/75/24/75/1019752475.db2.gz YDHOFCWJCSOZTL-VIFPVBQESA-N -1 0 307.372 -0.714 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001610656073 1019714397 /nfs/dbraw/zinc/71/43/97/1019714397.db2.gz KJZMYVHEHPUGAJ-AEJSXWLSSA-N -1 0 312.322 -0.887 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001610650990 1019714727 /nfs/dbraw/zinc/71/47/27/1019714727.db2.gz KZXBJXCJMJLOEY-VIFPVBQESA-N -1 0 322.321 -0.799 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)CCCCc1cn[nH]n1 ZINC001610655621 1019715052 /nfs/dbraw/zinc/71/50/52/1019715052.db2.gz JYRIDLVTEMPWSB-NSHDSACASA-N -1 0 306.326 -0.016 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCC(=O)[O-])[C@H](C(=O)OC)C1 ZINC001610968782 1019753656 /nfs/dbraw/zinc/75/36/56/1019753656.db2.gz NCCZUHUQTJOXOK-IUCAKERBSA-N -1 0 301.295 -0.196 20 0 DBADRM O=C(CN1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O)NCC1CC1 ZINC001610661654 1019716170 /nfs/dbraw/zinc/71/61/70/1019716170.db2.gz FVEMRBIAVOPDMC-NXEZZACHSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)CN1CCS(=O)(=O)CC1 ZINC001610663791 1019716472 /nfs/dbraw/zinc/71/64/72/1019716472.db2.gz HVEFGOPDDMDRML-UHFFFAOYSA-N -1 0 313.335 -0.551 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CSCC(=O)N1CCCCC1 ZINC001610672311 1019716943 /nfs/dbraw/zinc/71/69/43/1019716943.db2.gz ZIZVOBFUMLBFJI-VIFPVBQESA-N -1 0 304.368 -0.706 20 0 DBADRM O=C([O-])c1cccc(CC(=O)N[C@H](CO)CN2CCOCC2)c1 ZINC001610674975 1019717496 /nfs/dbraw/zinc/71/74/96/1019717496.db2.gz QVXRCOZIGDNGNW-AWEZNQCLSA-N -1 0 322.361 -0.263 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)CNC(=O)Cc2ccccc2)C1 ZINC001610674611 1019718080 /nfs/dbraw/zinc/71/80/80/1019718080.db2.gz BNCJXCBUEGTPRN-STQMWFEESA-N -1 0 320.345 -0.361 20 0 DBADRM O=C([O-])c1cc(NC(=O)NCC(=O)NCCO)c(F)cc1F ZINC001610664768 1019718355 /nfs/dbraw/zinc/71/83/55/1019718355.db2.gz FVQIEFXMQKUTLS-UHFFFAOYSA-N -1 0 317.248 -0.107 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NC[C@H](O)c2ccco2)nn1 ZINC001610695978 1019719406 /nfs/dbraw/zinc/71/94/06/1019719406.db2.gz UUTBOVJAKWSHMM-VIFPVBQESA-N -1 0 309.282 -0.398 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC001610692116 1019719909 /nfs/dbraw/zinc/71/99/09/1019719909.db2.gz INFQUEGOXLNXQH-VHSXEESVSA-N -1 0 323.349 -0.953 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCC2(C3CC3)CC2)C1 ZINC001610691646 1019719716 /nfs/dbraw/zinc/71/97/16/1019719716.db2.gz WMLWPSFPZQCFMD-KOLCDFICSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001610686134 1019720255 /nfs/dbraw/zinc/72/02/55/1019720255.db2.gz IDPPNMBJOAPPKV-GXSJLCMTSA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC001610692115 1019720377 /nfs/dbraw/zinc/72/03/77/1019720377.db2.gz INFQUEGOXLNXQH-UWVGGRQHSA-N -1 0 323.349 -0.953 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1cccc(CN2CCOCC2)c1 ZINC001610696737 1019721005 /nfs/dbraw/zinc/72/10/05/1019721005.db2.gz ZZTQHPSPQYHUML-ZDUSSCGKSA-N -1 0 308.334 -0.306 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NCc2ccc(O)cc2)C1 ZINC001610697761 1019721063 /nfs/dbraw/zinc/72/10/63/1019721063.db2.gz YZFWJXXWDFXDSV-JQWIXIFHSA-N -1 0 322.317 -0.698 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001610714934 1019722123 /nfs/dbraw/zinc/72/21/23/1019722123.db2.gz AEXBJXAEGSUOSD-RYUDHWBXSA-N -1 0 306.318 -0.009 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 ZINC001610715106 1019723011 /nfs/dbraw/zinc/72/30/11/1019723011.db2.gz FCYWDKFYPGVSTN-CHWSQXEVSA-N -1 0 320.345 -0.218 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC001610715155 1019723767 /nfs/dbraw/zinc/72/37/67/1019723767.db2.gz BKQVDNOFBACYRI-RQJHMYQMSA-N -1 0 302.224 -0.212 20 0 DBADRM O=C([O-])C1(NC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 ZINC001610710273 1019723786 /nfs/dbraw/zinc/72/37/86/1019723786.db2.gz CPRRAWSADKGWTP-SNVBAGLBSA-N -1 0 322.321 -0.266 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@@H]1CCCCN1Cc1cccnc1 ZINC001610701164 1019723985 /nfs/dbraw/zinc/72/39/85/1019723985.db2.gz AMKNUKUSJCQPSA-STQMWFEESA-N -1 0 307.350 -0.002 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001610701904 1019724053 /nfs/dbraw/zinc/72/40/53/1019724053.db2.gz WCRNCFGVGDVSJD-ONGXEEELSA-N -1 0 303.322 -0.019 20 0 DBADRM O=C([O-])C1(NC(=O)C(=O)Nc2ccc(-n3cncn3)cc2)CC1 ZINC001610705938 1019724102 /nfs/dbraw/zinc/72/41/02/1019724102.db2.gz YWDNIWNLBMKCHN-UHFFFAOYSA-N -1 0 315.289 -0.061 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC001610737390 1019725112 /nfs/dbraw/zinc/72/51/12/1019725112.db2.gz KQLRYFKOJVUHTI-YWVKMMECSA-N -1 0 311.338 -0.773 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCN3C(=O)N=NC3C2)CCC1 ZINC001610728012 1019725692 /nfs/dbraw/zinc/72/56/92/1019725692.db2.gz QMQZBEJSRHLHLY-UHFFFAOYSA-N -1 0 316.339 -0.616 20 0 DBADRM O=C([O-])CC1(CNC(=O)[C@H]2CCS(=O)(=O)C2)CCOCC1 ZINC001610753079 1019727362 /nfs/dbraw/zinc/72/73/62/1019727362.db2.gz BLHRKTMQJADHHS-JTQLQIEISA-N -1 0 319.379 -0.191 20 0 DBADRM O=C([O-])[C@@H]1CCCCCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001610744003 1019727610 /nfs/dbraw/zinc/72/76/10/1019727610.db2.gz OUWHYJJCOMSWJV-NSHDSACASA-N -1 0 318.395 -0.427 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)NN1CCCNC1=O ZINC001610743662 1019727680 /nfs/dbraw/zinc/72/76/80/1019727680.db2.gz KIJSBFOROKZGEQ-RKDXNWHRSA-N -1 0 305.356 -0.121 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC001610737987 1019727883 /nfs/dbraw/zinc/72/78/83/1019727883.db2.gz MOZUIIBYCLMCJB-UWVGGRQHSA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])[C@H]1CCCCCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001610744000 1019728400 /nfs/dbraw/zinc/72/84/00/1019728400.db2.gz OUWHYJJCOMSWJV-LLVKDONJSA-N -1 0 318.395 -0.427 20 0 DBADRM O=C([O-])[C@H]1CCN2C(=O)N(Cc3nnnn3C3CC3)C(=O)[C@@H]2C1 ZINC001610745140 1019728788 /nfs/dbraw/zinc/72/87/88/1019728788.db2.gz CUCXVNJFIFTQAO-CBAPKCEASA-N -1 0 320.309 -0.365 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N(Cc3nnnn3C3CC3)C(=O)[C@@H]2C1 ZINC001610745129 1019729209 /nfs/dbraw/zinc/72/92/09/1019729209.db2.gz CUCXVNJFIFTQAO-APPZFPTMSA-N -1 0 320.309 -0.365 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)[C@@H](O)C2CCOCC2)CCCOC1 ZINC001610755980 1019730173 /nfs/dbraw/zinc/73/01/73/1019730173.db2.gz CXTWNDCQMYSJCL-JSGCOSHPSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)CC[C@@H]2NC(=O)NC2=O)CCCOC1 ZINC001610755654 1019730660 /nfs/dbraw/zinc/73/06/60/1019730660.db2.gz FZTBUQZFHDEFDK-SDBXPKJASA-N -1 0 313.310 -0.885 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1c[nH]c2ncccc12 ZINC001610760031 1019731397 /nfs/dbraw/zinc/73/13/97/1019731397.db2.gz ULWSTNVWIHBAOM-SNVBAGLBSA-N -1 0 302.290 -0.022 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1CCC(=O)Nc1cccnc1 ZINC001610762183 1019731472 /nfs/dbraw/zinc/73/14/72/1019731472.db2.gz VTGUXHSJXUISCO-NSHDSACASA-N -1 0 306.322 -0.315 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)NCCCn1cccn1 ZINC001610760877 1019731574 /nfs/dbraw/zinc/73/15/74/1019731574.db2.gz CWFIVABXYYGPOJ-NSHDSACASA-N -1 0 308.338 -0.145 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)c2cccn3c(=O)[nH]nc23)CCOC1 ZINC001610759035 1019732242 /nfs/dbraw/zinc/73/22/42/1019732242.db2.gz IJIGJXBNJAXNSL-ZDUSSCGKSA-N -1 0 306.278 -0.202 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCC2CCOCC2)CCO1 ZINC001610763449 1019733508 /nfs/dbraw/zinc/73/35/08/1019733508.db2.gz SSNIRVRSQRCEEW-LLVKDONJSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCOC2)CCO1 ZINC001610763396 1019734441 /nfs/dbraw/zinc/73/44/41/1019734441.db2.gz QLRNEXWWBYRVOZ-MNOVXSKESA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N(CCO)C1CCOCC1 ZINC001610768523 1019734826 /nfs/dbraw/zinc/73/48/26/1019734826.db2.gz OORZRVZSMOWYRT-UHFFFAOYSA-N -1 0 316.354 -0.643 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)c2cccn3c(=O)[nH]nc23)CCO1 ZINC001610764120 1019735136 /nfs/dbraw/zinc/73/51/36/1019735136.db2.gz HCXKMZLBSGWWGZ-QMMMGPOBSA-N -1 0 306.278 -0.249 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC(c2nnc3n2CCCC3)CC1 ZINC001610781842 1019735658 /nfs/dbraw/zinc/73/56/58/1019735658.db2.gz NNMPRKCJXILNSH-UHFFFAOYSA-N -1 0 321.381 -0.005 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(N2CCCC2)nn1 ZINC001610782222 1019736627 /nfs/dbraw/zinc/73/66/27/1019736627.db2.gz KHMIMGNMDRWEAU-UHFFFAOYSA-N -1 0 307.310 -0.993 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cncn1-c1ccc(F)cc1 ZINC001610782163 1019736771 /nfs/dbraw/zinc/73/67/71/1019736771.db2.gz CJUUJDNFZZVMMG-UHFFFAOYSA-N -1 0 320.280 -0.058 20 0 DBADRM O=C([O-])COCC(=O)N1CSC[C@H]1C(=O)N1CCCC1 ZINC001610784995 1019737786 /nfs/dbraw/zinc/73/77/86/1019737786.db2.gz HCGMQFZDHJUVPH-VIFPVBQESA-N -1 0 302.352 -0.389 20 0 DBADRM O=C([O-])CNC(=O)CCN1CC(=O)N(Cc2ccccc2)C1 ZINC001610781824 1019737838 /nfs/dbraw/zinc/73/78/38/1019737838.db2.gz LFRNYWGSHVKZCW-UHFFFAOYSA-N -1 0 305.334 -0.121 20 0 DBADRM O=C([O-])Cn1cc(CCN2CCOC3(CCOCC3)C2)nn1 ZINC001610799970 1019738370 /nfs/dbraw/zinc/73/83/70/1019738370.db2.gz YMMAYEQVFADXRD-UHFFFAOYSA-N -1 0 310.354 -0.213 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCC[C@H](Cn3ccnn3)C2)C(=O)O1 ZINC001610802397 1019738566 /nfs/dbraw/zinc/73/85/66/1019738566.db2.gz HJZUBZPLLGJFPP-QWRGUYRKSA-N -1 0 309.326 -0.147 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCO[C@@H](C3CC3)C2)cn1 ZINC001610801384 1019739063 /nfs/dbraw/zinc/73/90/63/1019739063.db2.gz NZXJIRXJAZKKGW-LLVKDONJSA-N -1 0 315.351 -0.233 20 0 DBADRM O=C([O-])Cc1occc1C(=O)N[C@H](CO)CN1CCOCC1 ZINC001610798712 1019739534 /nfs/dbraw/zinc/73/95/34/1019739534.db2.gz OVDIVXCUSWHSNN-JTQLQIEISA-N -1 0 312.322 -0.670 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCOCC3(CC3)C2)cn1 ZINC001610800995 1019740579 /nfs/dbraw/zinc/74/05/79/1019740579.db2.gz AOIUGMBFMYNMHN-UHFFFAOYSA-N -1 0 315.351 -0.231 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(CC(=O)N3CCOCC3)C2)nn1 ZINC001610858165 1019741385 /nfs/dbraw/zinc/74/13/85/1019741385.db2.gz CDORVOSNMYEJAZ-SNVBAGLBSA-N -1 0 309.326 -0.918 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@H]2CCn3cncc3C2)nn1 ZINC001610859302 1019741493 /nfs/dbraw/zinc/74/14/93/1019741493.db2.gz MYQYWJNQRQKUOY-VIFPVBQESA-N -1 0 304.310 -0.448 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)C2)nn1 ZINC001610857955 1019741719 /nfs/dbraw/zinc/74/17/19/1019741719.db2.gz FZEMOVQJHNOAPO-WYOJIJJFSA-N -1 0 307.310 -0.423 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCn3cncc3C2)nn1 ZINC001610858767 1019742175 /nfs/dbraw/zinc/74/21/75/1019742175.db2.gz AVPUNPBCENFIFK-UHFFFAOYSA-N -1 0 305.298 -0.602 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@H]2CCc3n[nH]cc3C2)nn1 ZINC001610859339 1019742296 /nfs/dbraw/zinc/74/22/96/1019742296.db2.gz PLMOOUZGMUVOPS-QMMMGPOBSA-N -1 0 304.310 -0.379 20 0 DBADRM O=C([O-])c1cc(C(=O)N(CCO)CCN2CCOCC2)c[nH]1 ZINC001610809687 1019742542 /nfs/dbraw/zinc/74/25/42/1019742542.db2.gz VYGXGIJFPACVJM-UHFFFAOYSA-N -1 0 311.338 -0.520 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(S(=O)(=O)N3CCC3)C2)nn1 ZINC001610857490 1019742742 /nfs/dbraw/zinc/74/27/42/1019742742.db2.gz CINUPVKTUKLARP-QMMMGPOBSA-N -1 0 301.328 -0.826 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCO[C@@H](C3CC3)C2)nn1 ZINC001610858796 1019743730 /nfs/dbraw/zinc/74/37/30/1019743730.db2.gz CKNHQKXKYMULOP-LLVKDONJSA-N -1 0 309.326 -0.203 20 0 DBADRM O=C([O-])c1cncnc1NCCN1CCS(=O)(=O)CC1 ZINC001610865462 1019744005 /nfs/dbraw/zinc/74/40/05/1019744005.db2.gz SWCTZTWBGFSUAU-UHFFFAOYSA-N -1 0 300.340 -0.683 20 0 DBADRM O=C([O-])c1cn(C2CN(S(=O)(=O)c3ccccn3)C2)nn1 ZINC001610860749 1019746829 /nfs/dbraw/zinc/74/68/29/1019746829.db2.gz SADWGWSPLRNTMX-UHFFFAOYSA-N -1 0 309.307 -0.383 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)nn1 ZINC001610860796 1019747395 /nfs/dbraw/zinc/74/73/95/1019747395.db2.gz UTORYIFTGICVBR-CBAPKCEASA-N -1 0 322.243 -0.110 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)NCc2nnc3n2CCC3)c1 ZINC001610863713 1019747572 /nfs/dbraw/zinc/74/75/72/1019747572.db2.gz DLDRYXDSUADBRC-UHFFFAOYSA-N -1 0 323.334 -0.204 20 0 DBADRM O=C([O-])c1cn(CCn2c(=O)onc2-c2ccncc2)nn1 ZINC001610860579 1019748084 /nfs/dbraw/zinc/74/80/84/1019748084.db2.gz XAKWBKOKEFXCOY-UHFFFAOYSA-N -1 0 302.250 -0.112 20 0 DBADRM O=C([O-])c1nccnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001610872033 1019748364 /nfs/dbraw/zinc/74/83/64/1019748364.db2.gz DCWRHSAWHUSGHU-UHFFFAOYSA-N -1 0 319.365 -0.081 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001610873528 1019748584 /nfs/dbraw/zinc/74/85/84/1019748584.db2.gz WGRVIPHHPBRONL-ZMONIFLSSA-N -1 0 304.349 -0.300 20 0 DBADRM O=C([O-])c1cncnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001610865404 1019748705 /nfs/dbraw/zinc/74/87/05/1019748705.db2.gz OIMPHEIEGVTHFH-UHFFFAOYSA-N -1 0 321.337 -0.251 20 0 DBADRM CN(CC(N)=O)C(=O)c1cccc(NC(=O)NCCC(=O)[O-])c1 ZINC001610916316 1019749048 /nfs/dbraw/zinc/74/90/48/1019749048.db2.gz VZZQTHQVVQCILT-UHFFFAOYSA-N -1 0 322.321 -0.160 20 0 DBADRM CN(CC(=O)OCc1cn(CC(=O)[O-])nn1)[C@@H]1CCSC1 ZINC001610916134 1019749451 /nfs/dbraw/zinc/74/94/51/1019749451.db2.gz BVMFRODZHAHSTP-SNVBAGLBSA-N -1 0 314.367 -0.157 20 0 DBADRM CN(C)c1nc(CNC(=O)C(=O)N(C)CCC(=O)[O-])cs1 ZINC001610920504 1019750036 /nfs/dbraw/zinc/75/00/36/1019750036.db2.gz KPQAUWYVKWQBGI-UHFFFAOYSA-N -1 0 314.367 -0.242 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 ZINC001610920455 1019750227 /nfs/dbraw/zinc/75/02/27/1019750227.db2.gz GQDNHQXRKPFJLQ-JTQLQIEISA-N -1 0 323.353 -0.952 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC001610920774 1019750619 /nfs/dbraw/zinc/75/06/19/1019750619.db2.gz ZFEUYWFEUVVQIC-UHFFFAOYSA-N -1 0 323.305 -0.578 20 0 DBADRM CN(C)C(=O)O[C@@H]1CCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001610892246 1019751073 /nfs/dbraw/zinc/75/10/73/1019751073.db2.gz DEJOMESXQPUFPG-SECBINFHSA-N -1 0 308.356 -0.742 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001610887225 1019751472 /nfs/dbraw/zinc/75/14/72/1019751472.db2.gz NSYCMFXKRBMRHG-MWLCHTKSSA-N -1 0 321.289 -0.537 20 0 DBADRM CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)C(=O)[O-] ZINC001610939018 1019754102 /nfs/dbraw/zinc/75/41/02/1019754102.db2.gz FYMPHHHIVKOYMX-UHFFFAOYSA-N -1 0 320.298 -0.605 20 0 DBADRM COCC(COC)N1CCN(C(=O)N[C@@H](C)CC(=O)[O-])CC1 ZINC001610994459 1019755188 /nfs/dbraw/zinc/75/51/88/1019755188.db2.gz BYVNDRWAGLUHQG-NSHDSACASA-N -1 0 317.386 -0.162 20 0 DBADRM CS(=O)(=O)c1cc(NCC(=O)NCC(=O)[O-])ccc1F ZINC001611078323 1019755472 /nfs/dbraw/zinc/75/54/72/1019755472.db2.gz CFBMCAPYFFYONB-UHFFFAOYSA-N -1 0 304.299 -0.158 20 0 DBADRM COCc1cccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001611019398 1019755570 /nfs/dbraw/zinc/75/55/70/1019755570.db2.gz VPKHAZUOLLGEPS-GFCCVEGCSA-N -1 0 303.336 -0.053 20 0 DBADRM CSc1nnc(CNC(=O)C(=O)NCCC(=O)[O-])s1 ZINC001611093190 1019755680 /nfs/dbraw/zinc/75/56/80/1019755680.db2.gz BDKBJBQZZWYKHF-UHFFFAOYSA-N -1 0 304.353 -0.533 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccnn1COC ZINC001611012116 1019755993 /nfs/dbraw/zinc/75/59/93/1019755993.db2.gz FPXFYDARKYLKCG-UHFFFAOYSA-N -1 0 307.328 -0.791 20 0 DBADRM COCCO[C@H]1COCC[C@H]1NC(=O)N(C)CCC(=O)[O-] ZINC001611012081 1019756541 /nfs/dbraw/zinc/75/65/41/1019756541.db2.gz ADMBRVZHAQKMRC-MNOVXSKESA-N -1 0 304.343 -0.077 20 0 DBADRM Cc1ncsc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001611250027 1019757729 /nfs/dbraw/zinc/75/77/29/1019757729.db2.gz UYUUMQQYXAFFAL-ZETCQYMHSA-N -1 0 304.349 -0.225 20 0 DBADRM Cc1cc(NC(=O)NC[C@@](C)(O)C(=O)[O-])ccc1-n1cnnn1 ZINC001611153765 1019757773 /nfs/dbraw/zinc/75/77/73/1019757773.db2.gz PCUKNNTWAPRSEH-CYBMUJFWSA-N -1 0 320.309 -0.072 20 0 DBADRM Cc1nc(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cs1 ZINC001611232669 1019758716 /nfs/dbraw/zinc/75/87/16/1019758716.db2.gz XBZVXDMDFWTOOS-VIFPVBQESA-N -1 0 318.376 -0.296 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCCC(=O)NCc2ccccn2)C1 ZINC001611318543 1019760610 /nfs/dbraw/zinc/76/06/10/1019760610.db2.gz XHUHQYUVQVIBTB-LLVKDONJSA-N -1 0 320.305 -0.566 20 0 DBADRM O=C([O-])C(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC001611334060 1019760764 /nfs/dbraw/zinc/76/07/64/1019760764.db2.gz DGGQZOBETPSGRV-UWVGGRQHSA-N -1 0 300.311 -0.033 20 0 DBADRM Cn1nccc1[C@@H]1C[C@H](NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001611286274 1019761557 /nfs/dbraw/zinc/76/15/57/1019761557.db2.gz SHYMLQXPKKXKIK-ZHAHWJHGSA-N -1 0 322.321 -0.014 20 0 DBADRM NC(=O)c1ccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1 ZINC001611309474 1019761650 /nfs/dbraw/zinc/76/16/50/1019761650.db2.gz XGEPHJJPGMYYRY-NSHDSACASA-N -1 0 312.347 -0.531 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N(C[C@H]2CCOC2)C2CC2)C1 ZINC001611369651 1019763557 /nfs/dbraw/zinc/76/35/57/1019763557.db2.gz HCURLLAGFWHRNV-GHMZBOCLSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCCC3(C2)OCCO3)C1 ZINC001611369656 1019763829 /nfs/dbraw/zinc/76/38/29/1019763829.db2.gz ICXQEUTZDYKPGQ-SNVBAGLBSA-N -1 0 312.322 -0.715 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N(C[C@@H]2CCOC2)C2CC2)C1 ZINC001611369653 1019764404 /nfs/dbraw/zinc/76/44/04/1019764404.db2.gz HCURLLAGFWHRNV-QWRGUYRKSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CCO1 ZINC001611391787 1019764907 /nfs/dbraw/zinc/76/49/07/1019764907.db2.gz SUPITPQLDOIJPR-AXFHLTTASA-N -1 0 322.317 -0.750 20 0 DBADRM O=C([O-])COC(=O)c1ccccc1NC(=O)Cn1cnnn1 ZINC001611488542 1019765701 /nfs/dbraw/zinc/76/57/01/1019765701.db2.gz NCSWEWROUBUREN-UHFFFAOYSA-N -1 0 305.250 -0.447 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(c2ccccc2)C1=O ZINC001611489077 1019767843 /nfs/dbraw/zinc/76/78/43/1019767843.db2.gz CEXHXXBFIXGEPH-SECBINFHSA-N -1 0 303.278 -0.779 20 0 DBADRM C[C@H](C(=O)NC[C@H]1C[C@@H](C)O[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001575971552 1019776905 /nfs/dbraw/zinc/77/69/05/1019776905.db2.gz YACTWUJPVVFSFA-ZYUZMQFOSA-N -1 0 320.357 -0.051 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001616679365 1019781238 /nfs/dbraw/zinc/78/12/38/1019781238.db2.gz XFLYDCVZALASTP-WDEREUQCSA-N -1 0 315.370 -0.523 20 0 DBADRM C[C@@H](C(=O)N1C[C@H](C)C[C@@H](CO)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001575976166 1019781744 /nfs/dbraw/zinc/78/17/44/1019781744.db2.gz IHJQSPYKIILKKA-KXUCPTDWSA-N -1 0 320.357 -0.504 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cn(-c2ccc(OC)cc2)nn1 ZINC001618154481 1019791843 /nfs/dbraw/zinc/79/18/43/1019791843.db2.gz ZWTIULDHOVLLAG-UHFFFAOYSA-N -1 0 305.294 -0.317 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](C)N1C(=O)c2ccc(C)cc2C1=O ZINC001618148059 1019792651 /nfs/dbraw/zinc/79/26/51/1019792651.db2.gz GBNFLOVMYKUWKK-VIFPVBQESA-N -1 0 319.317 -0.227 20 0 DBADRM O=C(Cn1nnnc1-c1ccccc1)NCCc1nc(=O)o[n-]1 ZINC001618295267 1019795867 /nfs/dbraw/zinc/79/58/67/1019795867.db2.gz NBPCXUIVZOKWIC-UHFFFAOYSA-N -1 0 315.293 -0.625 20 0 DBADRM C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C(=O)O1 ZINC001576031572 1019798702 /nfs/dbraw/zinc/79/87/02/1019798702.db2.gz WDMYNNAVENKGOS-NTSWFWBYSA-N -1 0 313.295 -0.558 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576085466 1019808459 /nfs/dbraw/zinc/80/84/59/1019808459.db2.gz NVANSBDBUKHMSM-AATLWQCWSA-N -1 0 314.353 -0.206 20 0 DBADRM C[C@@]1(NC(=O)C(F)F)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001506388809 1019839423 /nfs/dbraw/zinc/83/94/23/1019839423.db2.gz XQSQAWQBGSDCCO-LLVKDONJSA-N -1 0 319.268 -0.938 20 0 DBADRM CC[C@@](C)(NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C)C(N)=O ZINC001576555826 1019865384 /nfs/dbraw/zinc/86/53/84/1019865384.db2.gz GOSUJXWIURPJAE-CYBMUJFWSA-N -1 0 319.325 -0.340 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001506659628 1019883541 /nfs/dbraw/zinc/88/35/41/1019883541.db2.gz RRVBTXHWHZCQJE-MRVPVSSYSA-N -1 0 324.385 -0.639 20 0 DBADRM CC[C@H](CNC(=O)[C@@H](C)OC)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001576772447 1019889565 /nfs/dbraw/zinc/88/95/65/1019889565.db2.gz BFIFQQYPEMYHRP-RKDXNWHRSA-N -1 0 320.357 -0.580 20 0 DBADRM CC[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)COC ZINC001576883500 1019923920 /nfs/dbraw/zinc/92/39/20/1019923920.db2.gz HYSNFSDAIKSGTN-QMMMGPOBSA-N -1 0 321.341 -0.534 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3C[C@H]3C)C2)c1[O-] ZINC001506815875 1019947363 /nfs/dbraw/zinc/94/73/63/1019947363.db2.gz IIAQABFRKGPSEA-FFIJEWMLSA-N -1 0 322.365 -0.227 20 0 DBADRM CC[C@@H](F)C(=O)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576938451 1019958515 /nfs/dbraw/zinc/95/85/15/1019958515.db2.gz ZRYKUXMTUCZYKB-RKDXNWHRSA-N -1 0 320.332 -0.161 20 0 DBADRM CC[C@H](NC(=O)NCCn1cnc(-c2nnn[n-]2)n1)C(C)(C)O ZINC001576975808 1019971764 /nfs/dbraw/zinc/97/17/64/1019971764.db2.gz PKGYUUQZJNRKQG-QMMMGPOBSA-N -1 0 323.361 -0.693 20 0 DBADRM CC[C@H](NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C)C(=O)OC ZINC001576976723 1019972298 /nfs/dbraw/zinc/97/22/98/1019972298.db2.gz XOVRDZKJCMRDPH-QMMMGPOBSA-N -1 0 320.309 -0.043 20 0 DBADRM CC[C@H](NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C)C(=O)NC ZINC001576977131 1019972384 /nfs/dbraw/zinc/97/23/84/1019972384.db2.gz ZFPGFHHJUABCAF-QMMMGPOBSA-N -1 0 319.325 -0.470 20 0 DBADRM CC[C@@H](OC)C(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001577029385 1019987776 /nfs/dbraw/zinc/98/77/76/1019987776.db2.gz RUCNBQJPMCLATD-DTWKUNHWSA-N -1 0 320.357 -0.580 20 0 DBADRM CCC[C@H](CC)NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001577319556 1020050605 /nfs/dbraw/zinc/05/06/05/1020050605.db2.gz REUCHZMTVRITQR-QMMMGPOBSA-N -1 0 321.341 -0.176 20 0 DBADRM CCC[C@H](O)CCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001577326284 1020053883 /nfs/dbraw/zinc/05/38/83/1020053883.db2.gz QKZLQXOCGWUZDP-VIFPVBQESA-N -1 0 323.361 -0.692 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NCc2nnnn2C)c1[O-] ZINC001507066438 1020069896 /nfs/dbraw/zinc/06/98/96/1020069896.db2.gz QMQGLRNCPCRCML-ZETCQYMHSA-N -1 0 308.346 -0.802 20 0 DBADRM CCCOCC(=O)NC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001577689747 1020104042 /nfs/dbraw/zinc/10/40/42/1020104042.db2.gz MLKNQHZMUBXSRE-VIFPVBQESA-N -1 0 320.357 -0.578 20 0 DBADRM CCCOCC(=O)NC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001577689746 1020105026 /nfs/dbraw/zinc/10/50/26/1020105026.db2.gz MLKNQHZMUBXSRE-SECBINFHSA-N -1 0 320.357 -0.578 20 0 DBADRM CCN(CC(=O)NC)C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001577874491 1020132477 /nfs/dbraw/zinc/13/24/77/1020132477.db2.gz VTUGXFISRKHBKS-UHFFFAOYSA-N -1 0 319.325 -0.516 20 0 DBADRM Cc1cncc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001507183078 1020143009 /nfs/dbraw/zinc/14/30/09/1020143009.db2.gz LNPPUSOXZLYRKA-SNVBAGLBSA-N -1 0 306.326 -0.906 20 0 DBADRM O=C(CNC(=O)NCc1ccc(F)cc1)[N-]OCc1cn[nH]n1 ZINC001577932423 1020149263 /nfs/dbraw/zinc/14/92/63/1020149263.db2.gz VBZYZXVXMKOTIA-UHFFFAOYSA-N -1 0 322.300 -0.009 20 0 DBADRM CCN(CCNC(=O)CCOC)c1ccnc(-c2nnn[n-]2)n1 ZINC001577975823 1020158995 /nfs/dbraw/zinc/15/89/95/1020158995.db2.gz JGKHACJNECDAGL-UHFFFAOYSA-N -1 0 320.357 -0.364 20 0 DBADRM CC/C(C)=C/C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001578033063 1020175464 /nfs/dbraw/zinc/17/54/64/1020175464.db2.gz SXMSTKBIKHVXTQ-OLKPEBQYSA-N -1 0 323.353 -0.237 20 0 DBADRM CCOC(=O)c1cc(Cn2cnc(-c3nnn[n-]3)cc2=O)on1 ZINC001578252180 1020207565 /nfs/dbraw/zinc/20/75/65/1020207565.db2.gz NKHYEMQXPKIARU-UHFFFAOYSA-N -1 0 317.265 -0.364 20 0 DBADRM CCO[C@H](C)C(=O)NC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001578289207 1020210353 /nfs/dbraw/zinc/21/03/53/1020210353.db2.gz SVYBMJFDFRDWEO-DTWKUNHWSA-N -1 0 320.357 -0.580 20 0 DBADRM CCOCC(=O)N[C@H](C)CN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001578354547 1020218103 /nfs/dbraw/zinc/21/81/03/1020218103.db2.gz GGUGPMLJXPFIBO-SECBINFHSA-N -1 0 320.357 -0.366 20 0 DBADRM CCOCC(=O)NCCN(CC)c1cnc(-c2nn[nH]n2)cn1 ZINC001578362336 1020222343 /nfs/dbraw/zinc/22/23/43/1020222343.db2.gz HKEQCZGBDHMSQS-UHFFFAOYSA-N -1 0 320.357 -0.364 20 0 DBADRM CCOCC(=O)N[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001578364139 1020222446 /nfs/dbraw/zinc/22/24/46/1020222446.db2.gz URZFKTAYEOUAAR-SECBINFHSA-N -1 0 318.341 -0.612 20 0 DBADRM CCOCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001578364191 1020223044 /nfs/dbraw/zinc/22/30/44/1020223044.db2.gz XUGWSWSKBKXVOY-SECBINFHSA-N -1 0 318.341 -0.612 20 0 DBADRM CCOCC(=O)NCC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001578362127 1020223281 /nfs/dbraw/zinc/22/32/81/1020223281.db2.gz AHGWFAXAKLSUPI-SECBINFHSA-N -1 0 320.357 -0.578 20 0 DBADRM CCOCC(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001578364178 1020223375 /nfs/dbraw/zinc/22/33/75/1020223375.db2.gz XHSZELHSTDAZJY-QMMMGPOBSA-N -1 0 321.341 -0.534 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001578436521 1020239245 /nfs/dbraw/zinc/23/92/45/1020239245.db2.gz YOIRQHNPKXNZGW-HTQZYQBOSA-N -1 0 319.325 -0.709 20 0 DBADRM CCc1cnc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)o1 ZINC001578556536 1020267272 /nfs/dbraw/zinc/26/72/72/1020267272.db2.gz YWWONRWQKAXOOP-UHFFFAOYSA-N -1 0 318.297 -0.172 20 0 DBADRM CCc1nc(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)co1 ZINC001578620321 1020275962 /nfs/dbraw/zinc/27/59/62/1020275962.db2.gz RYDMHAJMZPHLTQ-ZETCQYMHSA-N -1 0 317.313 -0.114 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2CCCC[C@@H]2O)c1=O ZINC001578736123 1020286907 /nfs/dbraw/zinc/28/69/07/1020286907.db2.gz QOSSQLAMLNPYRD-ONGXEEELSA-N -1 0 320.353 -0.239 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cc[nH]c(=O)c2)c1=O ZINC001578735976 1020286997 /nfs/dbraw/zinc/28/69/97/1020286997.db2.gz JRKXAYZXYUACFU-UHFFFAOYSA-N -1 0 315.293 -0.641 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CSCN2)ccc1[O-] ZINC001578746956 1020288925 /nfs/dbraw/zinc/28/89/25/1020288925.db2.gz ZELMGESKJBNMDE-QMMMGPOBSA-N -1 0 317.392 -0.099 20 0 DBADRM CN(C[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1)C(=O)C1CC1 ZINC001579046903 1020359784 /nfs/dbraw/zinc/35/97/84/1020359784.db2.gz HNLPFTNNEHKCDM-VIFPVBQESA-N -1 0 318.341 -0.702 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)c1ccon1 ZINC001579214930 1020392877 /nfs/dbraw/zinc/39/28/77/1020392877.db2.gz BOVYRENSKOGHTB-UHFFFAOYSA-N -1 0 315.297 -0.749 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)[C@H]1CC1(C)C ZINC001579214241 1020395603 /nfs/dbraw/zinc/39/56/03/1020395603.db2.gz SIZMXFMTLJQFCD-SECBINFHSA-N -1 0 316.369 -0.005 20 0 DBADRM CN(CCS(N)(=O)=O)c1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001579229867 1020396630 /nfs/dbraw/zinc/39/66/30/1020396630.db2.gz JJPAYZKNNHIORO-UHFFFAOYSA-N -1 0 323.791 -0.299 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)c1cc(-c2nn[nH]n2)nc(C2CC2)n1 ZINC001579266037 1020403449 /nfs/dbraw/zinc/40/34/49/1020403449.db2.gz ASCACXFZSOJMDS-UHFFFAOYSA-N -1 0 315.297 -0.153 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579266023 1020403722 /nfs/dbraw/zinc/40/37/22/1020403722.db2.gz AERAODGCRWFFLR-UHFFFAOYSA-N -1 0 315.293 -0.256 20 0 DBADRM COC(=O)[C@H](CF)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579433372 1020456719 /nfs/dbraw/zinc/45/67/19/1020456719.db2.gz DVUNWMHTTQJQCT-ZETCQYMHSA-N -1 0 324.272 -0.483 20 0 DBADRM COC(=O)C1CN(C(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)C1 ZINC001579442116 1020457584 /nfs/dbraw/zinc/45/75/84/1020457584.db2.gz AODMMVRTIMYBFG-UHFFFAOYSA-N -1 0 318.293 -0.479 20 0 DBADRM COC(=O)[C@@H]1CCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001579443857 1020461419 /nfs/dbraw/zinc/46/14/19/1020461419.db2.gz VLGGOHVGJZVZDV-ZETCQYMHSA-N -1 0 324.322 -0.802 20 0 DBADRM COC(=O)c1cnc(Cn2cc(-c3nnn[n-]3)ccc2=O)cn1 ZINC001579489124 1020476367 /nfs/dbraw/zinc/47/63/67/1020476367.db2.gz NQUADKGJHVJKKK-UHFFFAOYSA-N -1 0 313.277 -0.347 20 0 DBADRM COC(=O)c1csc(Cn2cnc(-c3nnn[n-]3)cc2=O)n1 ZINC001579491229 1020476974 /nfs/dbraw/zinc/47/69/74/1020476974.db2.gz BKGLUAOCOGTDOL-UHFFFAOYSA-N -1 0 319.306 -0.285 20 0 DBADRM CO[C@@H](C(=O)NCCNc1cnc(-c2nn[nH]n2)cn1)C1CC1 ZINC001579525728 1020480888 /nfs/dbraw/zinc/48/08/88/1020480888.db2.gz UIVARSMXPIVGAR-LLVKDONJSA-N -1 0 318.341 -0.390 20 0 DBADRM CO[C@H](C)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001579533258 1020481277 /nfs/dbraw/zinc/48/12/77/1020481277.db2.gz HPSLXOUSXQZFEA-DTWKUNHWSA-N -1 0 320.357 -0.050 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579540856 1020484610 /nfs/dbraw/zinc/48/46/10/1020484610.db2.gz WJMRAXJUMWEZMK-JGVFFNPUSA-N -1 0 321.341 -0.536 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[nH]n1 ZINC001579539050 1020484752 /nfs/dbraw/zinc/48/47/52/1020484752.db2.gz FMBWGXTTXMVUPX-DTWKUNHWSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579540858 1020485540 /nfs/dbraw/zinc/48/55/40/1020485540.db2.gz WJMRAXJUMWEZMK-YUMQZZPRSA-N -1 0 321.341 -0.536 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579540215 1020487508 /nfs/dbraw/zinc/48/75/08/1020487508.db2.gz PDJFNSUTHZXRNU-YUMQZZPRSA-N -1 0 321.341 -0.536 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579544587 1020489868 /nfs/dbraw/zinc/48/98/68/1020489868.db2.gz JQSRFECWZNCOKK-DTWKUNHWSA-N -1 0 318.341 -0.614 20 0 DBADRM CO[C@@H](CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001579592415 1020502883 /nfs/dbraw/zinc/50/28/83/1020502883.db2.gz NPGXUIDQGGRBGZ-VIFPVBQESA-N -1 0 321.345 -0.818 20 0 DBADRM COCC(=O)N1C[C@H](Nc2cnc(-c3nn[nH]n3)cn2)C[C@@H]1C ZINC001579622821 1020504971 /nfs/dbraw/zinc/50/49/71/1020504971.db2.gz AJAYQIHMLIHCHC-DTWKUNHWSA-N -1 0 318.341 -0.296 20 0 DBADRM COCC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579623200 1020505313 /nfs/dbraw/zinc/50/53/13/1020505313.db2.gz GGDMXOPKBUFDQT-UHFFFAOYSA-N -1 0 319.325 -0.876 20 0 DBADRM COCC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579642022 1020527847 /nfs/dbraw/zinc/52/78/47/1020527847.db2.gz ICNBSZKZPKGMAL-KYZUINATSA-N -1 0 318.341 -0.968 20 0 DBADRM COC[C@@H](C)C(=O)NC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001579670835 1020531344 /nfs/dbraw/zinc/53/13/44/1020531344.db2.gz URPUHLPMZAKISD-RKDXNWHRSA-N -1 0 320.357 -0.722 20 0 DBADRM COC[C@H](NC(=O)c1cccc(-c2nn[nH]n2)c1)c1nnn[n-]1 ZINC001579701338 1020538768 /nfs/dbraw/zinc/53/87/68/1020538768.db2.gz WZOCMYMZJHTTSY-VIFPVBQESA-N -1 0 315.297 -0.503 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCOCCNCc2cnon2)c1[O-] ZINC001508175478 1020540631 /nfs/dbraw/zinc/54/06/31/1020540631.db2.gz SIGXFVSFSDWAGC-UHFFFAOYSA-N -1 0 324.341 -0.315 20 0 DBADRM COCCC(=O)N(C)[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001579750003 1020542623 /nfs/dbraw/zinc/54/26/23/1020542623.db2.gz OWSCXWAUWLEXDG-SECBINFHSA-N -1 0 320.357 -0.626 20 0 DBADRM COCCC(=O)NC[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001579764494 1020551365 /nfs/dbraw/zinc/55/13/65/1020551365.db2.gz KZMGKPLBGUGVIS-VIFPVBQESA-N -1 0 320.357 -0.721 20 0 DBADRM CC(C)=CC(=O)N[C@H](C)CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001579795794 1020557863 /nfs/dbraw/zinc/55/78/63/1020557863.db2.gz AGKOBNLIXWPOTH-SECBINFHSA-N -1 0 323.353 -0.198 20 0 DBADRM COCCn1ccc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)n1 ZINC001579820829 1020565455 /nfs/dbraw/zinc/56/54/55/1020565455.db2.gz JLHAFYYQOTVTHI-UHFFFAOYSA-N -1 0 303.286 -0.315 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1ccc(-c2nn[nH]n2)s1 ZINC001579820351 1020566071 /nfs/dbraw/zinc/56/60/71/1020566071.db2.gz CZWWRUSRJDUZQS-UHFFFAOYSA-N -1 0 321.326 -0.765 20 0 DBADRM CON(C)C1CN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579848519 1020569221 /nfs/dbraw/zinc/56/92/21/1020569221.db2.gz YAJCBRFJNMYWNT-LBPRGKRZSA-N -1 0 318.337 -0.396 20 0 DBADRM CO[C@@H]1CN(C(C)=O)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579854309 1020573784 /nfs/dbraw/zinc/57/37/84/1020573784.db2.gz YVHWQGLKAZXOEZ-GHMZBOCLSA-N -1 0 319.325 -0.830 20 0 DBADRM CO[C@@H]1CN(C(C)=O)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579853381 1020575884 /nfs/dbraw/zinc/57/58/84/1020575884.db2.gz FJQAIIRIQITQHE-GHMZBOCLSA-N -1 0 319.325 -0.830 20 0 DBADRM CCC(=O)N[C@H](C)[C@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001508438613 1020591317 /nfs/dbraw/zinc/59/13/17/1020591317.db2.gz HNZYNJOQRNQZBG-SFYZADRCSA-N -1 0 311.342 -0.365 20 0 DBADRM C[C@@H](NC(=O)CC1CC1)[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001508457234 1020593865 /nfs/dbraw/zinc/59/38/65/1020593865.db2.gz XREHFFOPBSLIBU-RKDXNWHRSA-N -1 0 322.365 -0.091 20 0 DBADRM COc1cc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n(C)n1 ZINC001579933233 1020600027 /nfs/dbraw/zinc/60/00/27/1020600027.db2.gz RKUDCVTWAXHNSY-ZCFIWIBFSA-N -1 0 318.301 -0.600 20 0 DBADRM C[C@@H](CNC(=O)CC1CC1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001508714757 1020652956 /nfs/dbraw/zinc/65/29/56/1020652956.db2.gz UEPAMAWJIIUUPG-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM CS[C@@H](C)C(=O)NC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001580187918 1020666530 /nfs/dbraw/zinc/66/65/30/1020666530.db2.gz NNALNZOTKQRXEK-YUMQZZPRSA-N -1 0 322.398 -0.253 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)C1CC=CC1 ZINC001580290333 1020682916 /nfs/dbraw/zinc/68/29/16/1020682916.db2.gz IZTOPQKFKMKZHE-VIFPVBQESA-N -1 0 314.353 -0.039 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1ccoc1 ZINC001580291159 1020682964 /nfs/dbraw/zinc/68/29/64/1020682964.db2.gz WDZLDJXMLQKBPM-QMMMGPOBSA-N -1 0 314.309 -0.098 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCO1 ZINC001580290224 1020683961 /nfs/dbraw/zinc/68/39/61/1020683961.db2.gz GDQUAGKDEKTGIJ-IUCAKERBSA-N -1 0 318.341 -0.826 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001580366663 1020703839 /nfs/dbraw/zinc/70/38/39/1020703839.db2.gz KHRPCFYNQOSDSI-OPRDCNLKSA-N -1 0 314.353 -0.253 20 0 DBADRM C[C@H](CNCc1cnon1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001580411398 1020707518 /nfs/dbraw/zinc/70/75/18/1020707518.db2.gz ZFDRDVPZIGZLSN-SSDOTTSWSA-N -1 0 317.313 -0.514 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1cocn1 ZINC001580417521 1020711909 /nfs/dbraw/zinc/71/19/09/1020711909.db2.gz AUWDPRFCNCPGIL-SSDOTTSWSA-N -1 0 315.297 -0.703 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC(C)(C(N)=O)C1 ZINC001580597100 1020758817 /nfs/dbraw/zinc/75/88/17/1020758817.db2.gz DJACHRVHWYHQCX-UHFFFAOYSA-N -1 0 317.309 -0.777 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@H]1CCN(C)C1=O ZINC001580600080 1020762131 /nfs/dbraw/zinc/76/21/31/1020762131.db2.gz AGRCOEULKNAOGA-QMMMGPOBSA-N -1 0 317.309 -0.764 20 0 DBADRM CC(C)=CC(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001580621678 1020766500 /nfs/dbraw/zinc/76/65/00/1020766500.db2.gz GQEHAWBXEOWOEX-UHFFFAOYSA-N -1 0 308.338 -0.360 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CNC(=O)C2)ncc1-c1nn[nH]n1 ZINC001580861768 1020808653 /nfs/dbraw/zinc/80/86/53/1020808653.db2.gz IGZUKWBCJUCYJL-MRVPVSSYSA-N -1 0 301.310 -0.564 20 0 DBADRM Cc1cc(NC(=O)Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)on1 ZINC001580980983 1020818740 /nfs/dbraw/zinc/81/87/40/1020818740.db2.gz ZJUVUCGVXNGSCU-UHFFFAOYSA-N -1 0 318.253 -0.936 20 0 DBADRM C/C=C(/C)C(=O)NCCN(CC)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001581060664 1020822749 /nfs/dbraw/zinc/82/27/49/1020822749.db2.gz JVYXCGGWBJTWJI-YWEYNIOJSA-N -1 0 309.326 -0.173 20 0 DBADRM Cc1cccnc1CCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001581265221 1020830262 /nfs/dbraw/zinc/83/02/62/1020830262.db2.gz RWLOFDAXLXRQIM-UHFFFAOYSA-N -1 0 313.325 -0.479 20 0 DBADRM Cc1[nH]nc(NC(=O)CNC(=O)N2CCCC2)c1-c1nn[nH]n1 ZINC001581402924 1020833150 /nfs/dbraw/zinc/83/31/50/1020833150.db2.gz QDYBYLATSFQINB-UHFFFAOYSA-N -1 0 319.329 -0.358 20 0 DBADRM Cc1nnc(CC(=O)NCc2nc(-c3nn[nH]n3)cs2)[nH]1 ZINC001581398904 1020834005 /nfs/dbraw/zinc/83/40/05/1020834005.db2.gz GMNMXXJHBXBVBI-UHFFFAOYSA-N -1 0 305.327 -0.391 20 0 DBADRM Cc1nn(CC(=O)NCc2ccc(-c3nn[nH]n3)cn2)c(=O)o1 ZINC001581603480 1020839337 /nfs/dbraw/zinc/83/93/37/1020839337.db2.gz XMPLFAQLDRNVGM-UHFFFAOYSA-N -1 0 316.281 -0.964 20 0 DBADRM Cc1occc1CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001581733611 1020842710 /nfs/dbraw/zinc/84/27/10/1020842710.db2.gz HFKCWEJLSNCDFY-UHFFFAOYSA-N -1 0 317.309 -0.222 20 0 DBADRM Cn1c(=O)[nH]c(NCC2(CO)CCCC2)c(-c2nnn[n-]2)c1=O ZINC001581747491 1020842848 /nfs/dbraw/zinc/84/28/48/1020842848.db2.gz BHTYHLJTVVOEHM-UHFFFAOYSA-N -1 0 321.341 -0.369 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2C[C@H](O)C23CCC3)c(-c2nnn[n-]2)c1=O ZINC001581747918 1020844374 /nfs/dbraw/zinc/84/43/74/1020844374.db2.gz KEPRDQPOKPDLCU-RQJHMYQMSA-N -1 0 319.325 -0.619 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H]2C[C@@H](O)C23CCC3)c(-c2nnn[n-]2)c1=O ZINC001581747916 1020844561 /nfs/dbraw/zinc/84/45/61/1020844561.db2.gz KEPRDQPOKPDLCU-NKWVEPMBSA-N -1 0 319.325 -0.619 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)C2=COCCO2)c1[O-] ZINC001510436431 1020848593 /nfs/dbraw/zinc/84/85/93/1020848593.db2.gz LWHIHCRBALKLBW-QMMMGPOBSA-N -1 0 324.337 -0.111 20 0 DBADRM NC(=O)NC1(C(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001581896699 1020857194 /nfs/dbraw/zinc/85/71/94/1020857194.db2.gz LWMPFOMBDDYMGH-UHFFFAOYSA-N -1 0 303.282 -0.522 20 0 DBADRM NC(=O)c1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cs1 ZINC001581903449 1020858781 /nfs/dbraw/zinc/85/87/81/1020858781.db2.gz HUZYYFPBFMYRLV-UHFFFAOYSA-N -1 0 319.310 -0.743 20 0 DBADRM O=C(C[C@@H]1CCCO1)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001581992191 1020866443 /nfs/dbraw/zinc/86/64/43/1020866443.db2.gz FIMWHAVRTRHTBP-VIFPVBQESA-N -1 0 318.341 -0.824 20 0 DBADRM C/C=C(/C)C(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001510680934 1020876544 /nfs/dbraw/zinc/87/65/44/1020876544.db2.gz QUEPGZIEHHESOL-GRKOMRHMSA-N -1 0 309.326 -0.174 20 0 DBADRM O=C(CSc1ccc(-c2nn[nH]n2)cc1)N[C@@H]1COC[C@H]1O ZINC001582133287 1020878544 /nfs/dbraw/zinc/87/85/44/1020878544.db2.gz XXIKCOZQWPHITJ-GHMZBOCLSA-N -1 0 321.362 -0.165 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1cc(C2CC2)no1 ZINC001582199716 1020884823 /nfs/dbraw/zinc/88/48/23/1020884823.db2.gz WOXZYQJLVMMJRY-UHFFFAOYSA-N -1 0 315.297 -0.360 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC1CC(Cl)(Cl)C1 ZINC001582197937 1020884978 /nfs/dbraw/zinc/88/49/78/1020884978.db2.gz GCHYYBSEBLPBOA-UHFFFAOYSA-N -1 0 317.140 -0.089 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1nnc(C2CC2)o1 ZINC001582199642 1020885520 /nfs/dbraw/zinc/88/55/20/1020885520.db2.gz SMYVBTHLCUHBJT-UHFFFAOYSA-N -1 0 316.285 -0.965 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(C(=O)C2CC=CC2)C1 ZINC001582221725 1020887553 /nfs/dbraw/zinc/88/75/53/1020887553.db2.gz SYCHRLBOVWQCSY-UHFFFAOYSA-N -1 0 321.337 -0.770 20 0 DBADRM O=C(NCCCNc1ccnc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001582507576 1020900631 /nfs/dbraw/zinc/90/06/31/1020900631.db2.gz QYWSQCMFDBXRIW-VIFPVBQESA-N -1 0 318.341 -0.824 20 0 DBADRM O=C(NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)c1ccoc1 ZINC001582528034 1020903494 /nfs/dbraw/zinc/90/34/94/1020903494.db2.gz CZFALMCNOXQVHF-UHFFFAOYSA-N -1 0 317.265 -0.848 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1csc(-c2nn[nH]n2)c1 ZINC001582527647 1020903961 /nfs/dbraw/zinc/90/39/61/1020903961.db2.gz NCKHYWOVHOKACU-UHFFFAOYSA-N -1 0 307.295 -0.423 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001582528848 1020906551 /nfs/dbraw/zinc/90/65/51/1020906551.db2.gz PKHMPFYXANQEDW-HLTSFMKQSA-N -1 0 319.329 -0.923 20 0 DBADRM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCS(=O)(=O)CCO1 ZINC001582701544 1020919083 /nfs/dbraw/zinc/91/90/83/1020919083.db2.gz OVBLPWIBGJYLRK-UHFFFAOYSA-N -1 0 313.295 -0.738 20 0 DBADRM O=S(=O)(NC1CC(CCO)C1)c1cccnc1-c1nnn[n-]1 ZINC001582793559 1020923131 /nfs/dbraw/zinc/92/31/31/1020923131.db2.gz XDAQJQUFEOUKSY-UHFFFAOYSA-N -1 0 324.366 -0.299 20 0 DBADRM O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccnc1-c1nnn[n-]1 ZINC001582798961 1020924798 /nfs/dbraw/zinc/92/47/98/1020924798.db2.gz NMCFPSAANFAHAI-HLTSFMKQSA-N -1 0 322.350 -0.140 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1Cc2cncnc2C1 ZINC001582799380 1020925309 /nfs/dbraw/zinc/92/53/09/1020925309.db2.gz BFWTYLDCDUNPIL-UHFFFAOYSA-N -1 0 319.306 -0.046 20 0 DBADRM CC/C(C)=C/C(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001510921266 1020945884 /nfs/dbraw/zinc/94/58/84/1020945884.db2.gz HGNRFOJVFQTCDP-VHODGJRUSA-N -1 0 310.354 -0.013 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2ncccn2)c1[O-] ZINC001583220302 1020981791 /nfs/dbraw/zinc/98/17/91/1020981791.db2.gz RAIBKEACIJLEOZ-IHWYPQMZSA-N -1 0 316.321 -0.070 20 0 DBADRM Cc1cc(=O)[nH]c(CNC(=O)c2c[n-]n3c2nccc3=O)n1 ZINC001583383432 1020990906 /nfs/dbraw/zinc/99/09/06/1020990906.db2.gz UHMWJRPUGJQCFV-UHFFFAOYSA-N -1 0 300.278 -0.243 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H]1C ZINC001511133661 1021020966 /nfs/dbraw/zinc/02/09/66/1021020966.db2.gz BWKXXBVVWYFTAK-WCBMZHEXSA-N -1 0 323.353 -0.721 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001511182766 1021027281 /nfs/dbraw/zinc/02/72/81/1021027281.db2.gz APDPJNYUUTVJDY-UFVYQPJESA-N -1 0 321.337 -0.032 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001511235706 1021032911 /nfs/dbraw/zinc/03/29/11/1021032911.db2.gz PHNQITZZAQZNPI-GMSGAONNSA-N -1 0 323.353 -0.721 20 0 DBADRM CC/C=C(\C)C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001584889925 1021037877 /nfs/dbraw/zinc/03/78/77/1021037877.db2.gz QLKFJSCNWYUHED-RUDMXATFSA-N -1 0 323.353 -0.189 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1(CNC(=O)C2CC=CC2)CC1 ZINC001584911849 1021039667 /nfs/dbraw/zinc/03/96/67/1021039667.db2.gz HINMXJGBMROLRD-UHFFFAOYSA-N -1 0 321.337 -0.580 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cc(Br)cn2ncnc12 ZINC001584968310 1021041641 /nfs/dbraw/zinc/04/16/41/1021041641.db2.gz RLHXWAZMQNFXCQ-UHFFFAOYSA-N -1 0 323.114 -0.065 20 0 DBADRM Cc1cn2nnc(C(=O)[N-]N3C(=O)[C@H](C)N(C)C3=O)c2c(=O)[nH]1 ZINC001585139036 1021046786 /nfs/dbraw/zinc/04/67/86/1021046786.db2.gz XUCHQWCMULBWMW-LURJTMIESA-N -1 0 319.281 -0.934 20 0 DBADRM CC1(C)OC[C@H](/C=C\C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)O1 ZINC001585183091 1021049343 /nfs/dbraw/zinc/04/93/43/1021049343.db2.gz GDARWEYNPBVFQN-RWCMCFKCSA-N -1 0 309.326 -0.193 20 0 DBADRM CC(C)=CC(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001585337979 1021052382 /nfs/dbraw/zinc/05/23/82/1021052382.db2.gz UBHWUYXDIWGTGS-UHFFFAOYSA-N -1 0 309.326 -0.675 20 0 DBADRM CCc1cc(=O)n2nc(NC(=O)c3cccn(C)c3=O)[n-]c2n1 ZINC001587187913 1021082860 /nfs/dbraw/zinc/08/28/60/1021082860.db2.gz KXZIVHAAFMFOFC-UHFFFAOYSA-N -1 0 314.305 -0.069 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN(C)C(=O)c2cc[nH]c2)c1[O-] ZINC001511547180 1021087090 /nfs/dbraw/zinc/08/70/90/1021087090.db2.gz AONDCJUTBURUGW-SNVBAGLBSA-N -1 0 321.337 -0.385 20 0 DBADRM CC(=O)C[C@H]1COCCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001588487542 1021105438 /nfs/dbraw/zinc/10/54/38/1021105438.db2.gz OYJPIGSIVWQSHD-NSHDSACASA-N -1 0 322.317 -0.247 20 0 DBADRM CC(=O)N1CC(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001588493142 1021106335 /nfs/dbraw/zinc/10/63/35/1021106335.db2.gz VTRRVSDAMAUYQV-JYHUIVOISA-N -1 0 310.350 -0.007 20 0 DBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)OCC(=O)C(=O)[O-])c2C1 ZINC001588501225 1021106899 /nfs/dbraw/zinc/10/68/99/1021106899.db2.gz AFBSSIISKQRVME-SECBINFHSA-N -1 0 323.305 -0.608 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001588494169 1021106903 /nfs/dbraw/zinc/10/69/03/1021106903.db2.gz JIKBWPWDQLJYSP-WDEREUQCSA-N -1 0 312.322 -0.526 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)O[C@H](C)C(=O)[O-] ZINC001588499330 1021107004 /nfs/dbraw/zinc/10/70/04/1021107004.db2.gz LCVAJAYGSQUJBX-SSDOTTSWSA-N -1 0 302.327 -0.188 20 0 DBADRM CC(=O)NCCN(C(=O)c1cn(C2CC2)nn1)[C@H](C)C(=O)[O-] ZINC001588508825 1021108240 /nfs/dbraw/zinc/10/82/40/1021108240.db2.gz SOVVBVHRDBKLDT-MRVPVSSYSA-N -1 0 309.326 -0.336 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1ncccn1)[C@@H](C)C(=O)[O-] ZINC001588506033 1021108281 /nfs/dbraw/zinc/10/82/81/1021108281.db2.gz ACRCCMRNHBZGAP-JTQLQIEISA-N -1 0 308.338 -0.153 20 0 DBADRM CC(=O)NCCN(C(=O)c1cc2n(n1)CCO2)[C@@H](C)C(=O)[O-] ZINC001588508231 1021108374 /nfs/dbraw/zinc/10/83/74/1021108374.db2.gz GBIVQVMKKSFLMY-QMMMGPOBSA-N -1 0 310.310 -0.673 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1cnn(C)n1)[C@H](C)C(=O)[O-] ZINC001588506088 1021108451 /nfs/dbraw/zinc/10/84/51/1021108451.db2.gz CHCIGVJOLSBHRL-SECBINFHSA-N -1 0 311.342 -0.815 20 0 DBADRM CC(=O)NC[C@H]1CCCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001588502651 1021109005 /nfs/dbraw/zinc/10/90/05/1021109005.db2.gz ZZUFGDCKVNZLIK-SNVBAGLBSA-N -1 0 309.326 -0.507 20 0 DBADRM CC(=O)NCCN(C(=O)c1coc(C(N)=O)c1)[C@@H](C)C(=O)[O-] ZINC001588508232 1021109034 /nfs/dbraw/zinc/10/90/34/1021109034.db2.gz FRVAHMXPZMUFDO-ZETCQYMHSA-N -1 0 311.294 -0.570 20 0 DBADRM CC(=O)NCCN(C(=O)c1cnc2cccnn21)[C@@H](C)C(=O)[O-] ZINC001588508168 1021109208 /nfs/dbraw/zinc/10/92/08/1021109208.db2.gz CEVAUZVPAOZQCL-VIFPVBQESA-N -1 0 319.321 -0.219 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001588502369 1021109242 /nfs/dbraw/zinc/10/92/42/1021109242.db2.gz QKGBQFSNVNSGIY-MNOVXSKESA-N -1 0 311.338 -0.953 20 0 DBADRM CC(=O)NCCN(C(=O)Cc1cncc(O)c1)[C@H](C)C(=O)[O-] ZINC001588507491 1021109307 /nfs/dbraw/zinc/10/93/07/1021109307.db2.gz GVNFBBLYVSRIEV-SECBINFHSA-N -1 0 309.322 -0.233 20 0 DBADRM CC(=O)NCCN(Cc1ncnn1CCF)[C@H](C)C(=O)[O-] ZINC001588515238 1021110223 /nfs/dbraw/zinc/11/02/23/1021110223.db2.gz ZSTORLVQRUXMDW-SECBINFHSA-N -1 0 301.322 -0.341 20 0 DBADRM CC(=O)N[C@@H](C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O)C(C)C ZINC001588515252 1021111041 /nfs/dbraw/zinc/11/10/41/1021111041.db2.gz GYALWRZFZQUOEG-GXSJLCMTSA-N -1 0 300.311 -0.624 20 0 DBADRM CC(=O)OC1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC1 ZINC001588525740 1021111746 /nfs/dbraw/zinc/11/17/46/1021111746.db2.gz CCKWXBVJPOXXAX-VIFPVBQESA-N -1 0 314.338 -0.280 20 0 DBADRM CC(=O)c1cn(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nn1 ZINC001588533597 1021112988 /nfs/dbraw/zinc/11/29/88/1021112988.db2.gz GKLAIZVSSGTKTO-NOZJJQNGSA-N -1 0 308.294 -0.960 20 0 DBADRM C=C/C=C\CCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001588530238 1021113712 /nfs/dbraw/zinc/11/37/12/1021113712.db2.gz JECOXEFNOBNFGR-ARJAWSKDSA-N -1 0 303.330 -0.110 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)n1cncn1 ZINC001588554660 1021114723 /nfs/dbraw/zinc/11/47/23/1021114723.db2.gz TWANUJCBFUYXBV-UWVGGRQHSA-N -1 0 309.326 -0.579 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)S(C)(=O)=O ZINC001588554783 1021114742 /nfs/dbraw/zinc/11/47/42/1021114742.db2.gz VSGOBMPZLCOSOP-RKDXNWHRSA-N -1 0 320.367 -0.999 20 0 DBADRM C[C@@H](C(=O)NCCOCCOCC(=O)[O-])[C@@H]1CCC(=O)N1 ZINC001588557593 1021114830 /nfs/dbraw/zinc/11/48/30/1021114830.db2.gz VYLSYYLAKLLUGG-ZJUUUORDSA-N -1 0 302.327 -0.865 20 0 DBADRM C[C@@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)n1nnnc1C(C)(C)C ZINC001588550707 1021114935 /nfs/dbraw/zinc/11/49/35/1021114935.db2.gz BUYABQIOXFDSCT-IUCAKERBSA-N -1 0 311.342 -0.156 20 0 DBADRM C[C@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)n1nnnc1C(C)(C)C ZINC001588550708 1021115877 /nfs/dbraw/zinc/11/58/77/1021115877.db2.gz BUYABQIOXFDSCT-RKDXNWHRSA-N -1 0 311.342 -0.156 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)Cn1ncn2nccc2c1=O)C1CC1 ZINC001588584829 1021116718 /nfs/dbraw/zinc/11/67/18/1021116718.db2.gz NWPDRDHNILVQQO-MRVPVSSYSA-N -1 0 305.294 -0.645 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001588565815 1021117768 /nfs/dbraw/zinc/11/77/68/1021117768.db2.gz OXJZISIFNSKRAF-LBPRGKRZSA-N -1 0 311.382 -0.136 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001588571060 1021118223 /nfs/dbraw/zinc/11/82/23/1021118223.db2.gz VZHPVLTWEXGBSH-BDAKNGLRSA-N -1 0 304.310 -0.460 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001588611168 1021119342 /nfs/dbraw/zinc/11/93/42/1021119342.db2.gz LDZJARNBVCBZCE-RNCFNFMXSA-N -1 0 319.379 -0.050 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCc2cocn2)n1 ZINC001588620104 1021119436 /nfs/dbraw/zinc/11/94/36/1021119436.db2.gz MQNRBYIORKWVIA-UHFFFAOYSA-N -1 0 321.293 -0.054 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001588631212 1021120919 /nfs/dbraw/zinc/12/09/19/1021120919.db2.gz GWQLYFAHJQAXMO-BDAKNGLRSA-N -1 0 319.383 -0.906 20 0 DBADRM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001588640514 1021121223 /nfs/dbraw/zinc/12/12/23/1021121223.db2.gz YDQKIRONXXDZID-GPCCPHFNSA-N -1 0 303.355 -0.106 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001588625349 1021121319 /nfs/dbraw/zinc/12/13/19/1021121319.db2.gz KSNZMULWTDQNPH-MGCOHNPYSA-N -1 0 312.370 -0.559 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N2C[C@H](CO)[C@H](O)C2)n1 ZINC001588623679 1021121483 /nfs/dbraw/zinc/12/14/83/1021121483.db2.gz PBRJXGQRCGAABO-RKDXNWHRSA-N -1 0 312.326 -0.480 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N2C[C@H](O)[C@@H](CO)C2)n1 ZINC001588623676 1021121914 /nfs/dbraw/zinc/12/19/14/1021121914.db2.gz PBRJXGQRCGAABO-BDAKNGLRSA-N -1 0 312.326 -0.480 20 0 DBADRM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001588640515 1021122054 /nfs/dbraw/zinc/12/20/54/1021122054.db2.gz YDQKIRONXXDZID-IMSIIYSGSA-N -1 0 303.355 -0.106 20 0 DBADRM CC(C)(CCNC(=O)N1CCC[C@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC001588774612 1021129785 /nfs/dbraw/zinc/12/97/85/1021129785.db2.gz UKJFFDLVOBMQDU-VIFPVBQESA-N -1 0 321.399 -0.050 20 0 DBADRM C=CC(=O)NCCC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001588656726 1021123004 /nfs/dbraw/zinc/12/30/04/1021123004.db2.gz YUVCRYKPGKGISV-SECBINFHSA-N -1 0 307.310 -0.558 20 0 DBADRM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001588640517 1021123301 /nfs/dbraw/zinc/12/33/01/1021123301.db2.gz YDQKIRONXXDZID-RULNRJAQSA-N -1 0 303.355 -0.106 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001588651302 1021124000 /nfs/dbraw/zinc/12/40/00/1021124000.db2.gz GQZRSOCVEVZYST-NXEZZACHSA-N -1 0 312.322 -0.504 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001588651550 1021124038 /nfs/dbraw/zinc/12/40/38/1021124038.db2.gz PJJBRZSDZAWRAF-ZJUUUORDSA-N -1 0 312.322 -0.504 20 0 DBADRM CC(C)(C)CC[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C(=O)[O-] ZINC001588645260 1021124879 /nfs/dbraw/zinc/12/48/79/1021124879.db2.gz KFSPHLWYAONCNS-IRCOFANPSA-N -1 0 315.366 -0.205 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1CN(C(=O)COCC(=O)[O-])CCO1 ZINC001588666561 1021125248 /nfs/dbraw/zinc/12/52/48/1021125248.db2.gz FBWVICFVRDOECO-SECBINFHSA-N -1 0 303.311 -0.343 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001588716707 1021127750 /nfs/dbraw/zinc/12/77/50/1021127750.db2.gz WCCKOAZEINHEOM-IUCAKERBSA-N -1 0 302.327 -0.195 20 0 DBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001588733135 1021127997 /nfs/dbraw/zinc/12/79/97/1021127997.db2.gz LCCJCIXKNCAYPD-AWEZNQCLSA-N -1 0 318.370 -0.352 20 0 DBADRM CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001588716362 1021128093 /nfs/dbraw/zinc/12/80/93/1021128093.db2.gz SPLVDLWUTJVGBO-QMMMGPOBSA-N -1 0 301.299 -0.143 20 0 DBADRM CC(C)(C)OC(=O)NCCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001588715209 1021128612 /nfs/dbraw/zinc/12/86/12/1021128612.db2.gz CBBSEGPYXMMBLT-SECBINFHSA-N -1 0 322.383 -0.305 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001588716706 1021128949 /nfs/dbraw/zinc/12/89/49/1021128949.db2.gz WCCKOAZEINHEOM-BDAKNGLRSA-N -1 0 302.327 -0.195 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)Nc1ncn(CC(=O)[O-])n1 ZINC001588738274 1021128987 /nfs/dbraw/zinc/12/89/87/1021128987.db2.gz IFUJCKBSQWZULK-UHFFFAOYSA-N -1 0 304.328 -0.486 20 0 DBADRM O=C(NC[C@H](O)C(F)(F)C(F)(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001588776476 1021130694 /nfs/dbraw/zinc/13/06/94/1021130694.db2.gz ZSEXKXYXAQOZLO-REOHCLBHSA-N -1 0 318.158 -0.429 20 0 DBADRM CC(C)(CNC(=O)c1cccn(CC(=O)[O-])c1=O)OCCO ZINC001588783573 1021130963 /nfs/dbraw/zinc/13/09/63/1021130963.db2.gz DVIYAMKQVOLGPJ-UHFFFAOYSA-N -1 0 312.322 -0.550 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O)C(=O)[O-] ZINC001588767609 1021131006 /nfs/dbraw/zinc/13/10/06/1021131006.db2.gz LTXAZVAFRAHKOS-QJHLZDNFSA-N -1 0 316.379 -0.665 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C(=O)N1CCCC1 ZINC001588779197 1021131418 /nfs/dbraw/zinc/13/14/18/1021131418.db2.gz LHMDYXBFEBIEHB-JTQLQIEISA-N -1 0 311.338 -0.019 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001588802859 1021133079 /nfs/dbraw/zinc/13/30/79/1021133079.db2.gz AWEBFAZDTCWYMM-LLVKDONJSA-N -1 0 323.353 -0.103 20 0 DBADRM CC(=O)CCCC(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001588791702 1021133546 /nfs/dbraw/zinc/13/35/46/1021133546.db2.gz OKWWRNYXSQNKKB-UHFFFAOYSA-N -1 0 318.341 -0.634 20 0 DBADRM CC(C)[C@@](C)(O)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001588812524 1021134707 /nfs/dbraw/zinc/13/47/07/1021134707.db2.gz LYVIEQXEPMQGJD-YGRLFVJLSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC001588803170 1021135052 /nfs/dbraw/zinc/13/50/52/1021135052.db2.gz NZUZDNUNIRLHDV-YBTHPKLGSA-N -1 0 304.412 -0.134 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 ZINC001588803818 1021135483 /nfs/dbraw/zinc/13/54/83/1021135483.db2.gz IWZCSBQZYBKTFG-ZJUUUORDSA-N -1 0 307.368 -0.385 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC(O)(c2ncnn2C)CC1 ZINC001588802954 1021135660 /nfs/dbraw/zinc/13/56/60/1021135660.db2.gz FLMLORFNMUAYLM-SNVBAGLBSA-N -1 0 310.354 -0.018 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1)C(=O)[O-] ZINC001588823034 1021136147 /nfs/dbraw/zinc/13/61/47/1021136147.db2.gz HTDUTGZVEHZQCI-GMTAPVOTSA-N -1 0 313.354 -0.358 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H]1CO)C(=O)[O-] ZINC001588815438 1021137546 /nfs/dbraw/zinc/13/75/46/1021137546.db2.gz PTURILCIPNBHTE-VWYCJHECSA-N -1 0 300.355 -0.311 20 0 DBADRM CC(C)[C@H](O)CCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001588836187 1021138733 /nfs/dbraw/zinc/13/87/33/1021138733.db2.gz SFCFTQKIZVQXRU-SNVBAGLBSA-N -1 0 321.395 -0.211 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N(CC(=O)[O-])CC1CC1 ZINC001588833478 1021139213 /nfs/dbraw/zinc/13/92/13/1021139213.db2.gz BOFBJIGBPNNYLC-NSHDSACASA-N -1 0 306.384 -0.117 20 0 DBADRM CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nnn[n-]2)n1 ZINC001588871921 1021146219 /nfs/dbraw/zinc/14/62/19/1021146219.db2.gz GFRHWYJDFRROKJ-UTLUCORTSA-N -1 0 300.326 -0.098 20 0 DBADRM CC(C)C[C@@H](NC(=O)C1(CS(C)(=O)=O)COC1)C(=O)[O-] ZINC001588881154 1021148324 /nfs/dbraw/zinc/14/83/24/1021148324.db2.gz CGMLTLGBZSAOKX-SECBINFHSA-N -1 0 307.368 -0.337 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)CC1=O ZINC001588922083 1021149423 /nfs/dbraw/zinc/14/94/23/1021149423.db2.gz XQAZRTQDAOIWGT-JTQLQIEISA-N -1 0 321.333 -0.328 20 0 DBADRM CC(=O)c1cc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)on1 ZINC001588900521 1021149445 /nfs/dbraw/zinc/14/94/45/1021149445.db2.gz DSOKNJZUIJBFEP-UHFFFAOYSA-N -1 0 303.238 -0.632 20 0 DBADRM CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001588925618 1021152303 /nfs/dbraw/zinc/15/23/03/1021152303.db2.gz SQBPLTOEMMLEEH-UHFFFAOYSA-N -1 0 322.321 -0.299 20 0 DBADRM CC(C)OC(=O)[C@@H](C)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001588928202 1021152668 /nfs/dbraw/zinc/15/26/68/1021152668.db2.gz RJNGRSPDDYJQME-UWVGGRQHSA-N -1 0 322.383 -0.043 20 0 DBADRM C[C@@H](C(=O)N(C)C[C@@H]1CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588940476 1021156956 /nfs/dbraw/zinc/15/69/56/1021156956.db2.gz PVHVVUWCAWBZNT-IUCAKERBSA-N -1 0 306.330 -0.486 20 0 DBADRM C[C@@H](C(=O)N(C)CC1(O)CCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588940378 1021158099 /nfs/dbraw/zinc/15/80/99/1021158099.db2.gz OKUXVEXFVPLXKA-QMMMGPOBSA-N -1 0 306.330 -0.607 20 0 DBADRM C/C(=C\C(=O)N[C@H](Cn1cncn1)C(=O)[O-])CN1CCOCC1 ZINC001588938958 1021158847 /nfs/dbraw/zinc/15/88/47/1021158847.db2.gz OCTYKPZXHACMQX-IGEMTJHASA-N -1 0 323.353 -0.874 20 0 DBADRM C[C@H](C(=O)N(CCO)C1CCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588943011 1021159274 /nfs/dbraw/zinc/15/92/74/1021159274.db2.gz JAEASHDYVAFCJY-MRVPVSSYSA-N -1 0 306.330 -0.607 20 0 DBADRM C[C@H](C(=O)N1CCC[C@]1(C)CO)n1cnc(-c2nnn[n-]2)n1 ZINC001588953886 1021161110 /nfs/dbraw/zinc/16/11/10/1021161110.db2.gz BOTIVEBVOOUYRL-PRHODGIISA-N -1 0 306.330 -0.607 20 0 DBADRM C[C@H](C(=O)N1CCS[C@H](C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588959461 1021161290 /nfs/dbraw/zinc/16/12/90/1021161290.db2.gz DNCVJVIFLJJPHV-HTQZYQBOSA-N -1 0 308.371 -0.017 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@](C)(CO)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588951617 1021161688 /nfs/dbraw/zinc/16/16/88/1021161688.db2.gz HQMBOQXNWGGRKV-TVQRCGJNSA-N -1 0 320.357 -0.360 20 0 DBADRM C/C(=C\CN1CCN(S(=O)(=O)c2cc[nH]n2)CC1)C(=O)[O-] ZINC001588961122 1021162321 /nfs/dbraw/zinc/16/23/21/1021162321.db2.gz HTAZAHDRRWKCOE-XCVCLJGOSA-N -1 0 314.367 -0.253 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H](C(C)(C)O)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588949508 1021162342 /nfs/dbraw/zinc/16/23/42/1021162342.db2.gz WPLGJEBLVPXSQI-RKDXNWHRSA-N -1 0 320.357 -0.361 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@](C)(CO)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588951618 1021165758 /nfs/dbraw/zinc/16/57/58/1021165758.db2.gz HQMBOQXNWGGRKV-ZANVPECISA-N -1 0 320.357 -0.360 20 0 DBADRM C[C@H](C(=O)N[C@@H]1COC2(CCC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588977923 1021167047 /nfs/dbraw/zinc/16/70/47/1021167047.db2.gz BIQQWDQAFPOISM-BDAKNGLRSA-N -1 0 318.341 -0.153 20 0 DBADRM C/C(=C\CNC(=O)N(C)C[C@@H](O)CN1CCOCC1)C(=O)[O-] ZINC001588966962 1021167381 /nfs/dbraw/zinc/16/73/81/1021167381.db2.gz NRKTVARKUJCBOL-NDZKXSSTSA-N -1 0 315.370 -0.648 20 0 DBADRM C[C@@H](C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588965933 1021167415 /nfs/dbraw/zinc/16/74/15/1021167415.db2.gz POXICKDGDKADCF-QEYWKRMJSA-N -1 0 318.341 -0.752 20 0 DBADRM C[C@@H](C(=O)N=c1sccn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001588965623 1021170424 /nfs/dbraw/zinc/17/04/24/1021170424.db2.gz GQBQRWKLWHJVKD-LURJTMIESA-N -1 0 305.327 -0.453 20 0 DBADRM C[C@H](C(=O)NC[C@H](O)CC(C)(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588977561 1021170779 /nfs/dbraw/zinc/17/07/79/1021170779.db2.gz BCNATMSDXJJLGJ-RKDXNWHRSA-N -1 0 322.373 -0.068 20 0 DBADRM C[C@H](C(=O)NC[C@@]1(O)CCC[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001588983735 1021172525 /nfs/dbraw/zinc/17/25/25/1021172525.db2.gz JNWKOLKOEBDJOV-RWEMILLDSA-N -1 0 320.357 -0.314 20 0 DBADRM C[C@@H](CC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)NC(N)=O ZINC001588988798 1021174251 /nfs/dbraw/zinc/17/42/51/1021174251.db2.gz KHHXMICDBODNIA-DTWKUNHWSA-N -1 0 314.342 -0.985 20 0 DBADRM C[C@H](CC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)NC(N)=O ZINC001588988797 1021175158 /nfs/dbraw/zinc/17/51/58/1021175158.db2.gz KHHXMICDBODNIA-BDAKNGLRSA-N -1 0 314.342 -0.985 20 0 DBADRM CC(C)c1noc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001588981094 1021175317 /nfs/dbraw/zinc/17/53/17/1021175317.db2.gz CNYQOFCNUWIIOC-MRVPVSSYSA-N -1 0 303.340 -0.123 20 0 DBADRM C[C@@H](C(=O)NCCC1CC(O)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588986800 1021175375 /nfs/dbraw/zinc/17/53/75/1021175375.db2.gz YXLWXVPTXMEPPK-UEJVZZJDSA-N -1 0 306.330 -0.704 20 0 DBADRM CC(C)n1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC001588982618 1021175874 /nfs/dbraw/zinc/17/58/74/1021175874.db2.gz PVWLJWGPGMJUOX-VIFPVBQESA-N -1 0 310.310 -0.286 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001588983294 1021176415 /nfs/dbraw/zinc/17/64/15/1021176415.db2.gz HCARITPDUQJNKC-BDAKNGLRSA-N -1 0 306.330 -0.296 20 0 DBADRM C[C@@H](C(=O)NCC1([S@@](C)=O)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588983737 1021176842 /nfs/dbraw/zinc/17/68/42/1021176842.db2.gz JPVSCVIYIJABQB-LWHSBAFCSA-N -1 0 324.370 -0.954 20 0 DBADRM C[C@@H](C(=O)NCCc1ccc[nH]1)n1cnc(-c2nnn[n-]2)n1 ZINC001588996366 1021177803 /nfs/dbraw/zinc/17/78/03/1021177803.db2.gz RGYJFZLXHZELKO-QMMMGPOBSA-N -1 0 301.314 -0.294 20 0 DBADRM C[C@H](C(=O)NCc1cc(=O)cc[nH]1)n1cnc(-c2nnn[n-]2)n1 ZINC001588997923 1021177844 /nfs/dbraw/zinc/17/78/44/1021177844.db2.gz NDWDDDFILWANKX-SSDOTTSWSA-N -1 0 315.297 -0.976 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCC[C@H]1O)n1cnc(-c2nnn[n-]2)n1 ZINC001588996633 1021179078 /nfs/dbraw/zinc/17/90/78/1021179078.db2.gz WEAYJBGZBTZNAN-HRDYMLBCSA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1cccc2c1CCNC2=O ZINC001588993447 1021179964 /nfs/dbraw/zinc/17/99/64/1021179964.db2.gz PVZZQZVOBQBTAN-QMMMGPOBSA-N -1 0 319.317 -0.110 20 0 DBADRM C[C@@H](C(=O)OC1CCN(C#N)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001589028236 1021181456 /nfs/dbraw/zinc/18/14/56/1021181456.db2.gz UTLVQFQTOOMSPQ-QMMMGPOBSA-N -1 0 317.313 -0.492 20 0 DBADRM C[C@@H](C(=O)O[C@H]1CCC(=O)N(C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001589025656 1021181748 /nfs/dbraw/zinc/18/17/48/1021181748.db2.gz AQSJCFQLYQTTRC-YUMQZZPRSA-N -1 0 320.313 -0.817 20 0 DBADRM C[C@@H](C(=O)Nc1ccc[n+]([O-])c1)n1cnc(-c2nnn[n-]2)n1 ZINC001589017879 1021182490 /nfs/dbraw/zinc/18/24/90/1021182490.db2.gz LAUIXJXVFMYEML-ZETCQYMHSA-N -1 0 301.270 -0.709 20 0 DBADRM C[C@@H](C(=O)OC[C@@H]1COC(C)(C)O1)n1cnc(-c2nnn[n-]2)n1 ZINC001589025934 1021183061 /nfs/dbraw/zinc/18/30/61/1021183061.db2.gz GTHMJYCUHCHVGN-JGVFFNPUSA-N -1 0 323.313 -0.286 20 0 DBADRM C[C@@H](C(=O)Nc1ccc(=O)n(C)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001589015721 1021184538 /nfs/dbraw/zinc/18/45/38/1021184538.db2.gz OVOSPOOOLXPPDA-ZETCQYMHSA-N -1 0 315.297 -0.643 20 0 DBADRM CC(=O)N1CCC(CNC(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC001589063614 1021186579 /nfs/dbraw/zinc/18/65/79/1021186579.db2.gz UOPZBKLIHCXXPR-UHFFFAOYSA-N -1 0 308.338 -0.044 20 0 DBADRM C[C@H](C(=O)OC[C@H]1[C@@H]2COC[C@H]12)n1cnc(-c2nnn[n-]2)n1 ZINC001589031163 1021186762 /nfs/dbraw/zinc/18/67/62/1021186762.db2.gz UDYBRVJWDCYWRZ-HXFLIBJXSA-N -1 0 305.298 -0.545 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001589061292 1021187216 /nfs/dbraw/zinc/18/72/16/1021187216.db2.gz WVTXVDKAVJVMRA-ZDUSSCGKSA-N -1 0 309.326 -0.649 20 0 DBADRM CC(C)(C(=O)[N-]OCC(N)=O)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001589054401 1021187494 /nfs/dbraw/zinc/18/74/94/1021187494.db2.gz DZZFFVTXRIRVQQ-UHFFFAOYSA-N -1 0 322.300 -0.184 20 0 DBADRM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001589062818 1021187782 /nfs/dbraw/zinc/18/77/82/1021187782.db2.gz GGHIPQMAFHDWFJ-NSHDSACASA-N -1 0 318.395 -0.019 20 0 DBADRM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cn2C)C1 ZINC001589087630 1021191173 /nfs/dbraw/zinc/19/11/73/1021191173.db2.gz IDOOJJNPECSKJS-SNVBAGLBSA-N -1 0 315.351 -0.378 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1 ZINC001589079249 1021191524 /nfs/dbraw/zinc/19/15/24/1021191524.db2.gz AAHMJEUHHOBNKS-NSHDSACASA-N -1 0 311.338 -1.000 20 0 DBADRM CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)[C@@H](C)C1 ZINC001589080034 1021192176 /nfs/dbraw/zinc/19/21/76/1021192176.db2.gz PBZKSRSGKCZPHC-JOYOIKCWSA-N -1 0 323.349 -0.645 20 0 DBADRM CC(=O)N1CCO[C@H](C(=O)N[C@]2(C(=O)[O-])CCSC2)C1 ZINC001589086631 1021192219 /nfs/dbraw/zinc/19/22/19/1021192219.db2.gz CPRJOIWZAQAUKD-JOYOIKCWSA-N -1 0 302.352 -0.690 20 0 DBADRM CC(=O)N1CCC[C@H](CNS(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC001589070229 1021193100 /nfs/dbraw/zinc/19/31/00/1021193100.db2.gz LRDWINSSPOEASG-GXSJLCMTSA-N -1 0 306.384 -0.115 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])C1 ZINC001589066115 1021193418 /nfs/dbraw/zinc/19/34/18/1021193418.db2.gz DJNFSTJSGPCLDC-RYUDHWBXSA-N -1 0 308.338 -0.289 20 0 DBADRM CC(=O)NCC(=O)N1CC=C(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001589121066 1021194366 /nfs/dbraw/zinc/19/43/66/1021194366.db2.gz JGGKQKQNBHMERT-NWDGAFQWSA-N -1 0 323.349 -0.882 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001589119896 1021195314 /nfs/dbraw/zinc/19/53/14/1021195314.db2.gz JXTFKRSJLMLJJZ-MXWKQRLJSA-N -1 0 311.338 -0.955 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001589096162 1021196848 /nfs/dbraw/zinc/19/68/48/1021196848.db2.gz PTOBCZACAHWEJB-IUCAKERBSA-N -1 0 307.358 -0.352 20 0 DBADRM CC(C)(C)OC(=O)C(=O)Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001589142014 1021199851 /nfs/dbraw/zinc/19/98/51/1021199851.db2.gz WRRMTPKZBAMWON-UHFFFAOYSA-N -1 0 322.281 -0.960 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001589127630 1021201308 /nfs/dbraw/zinc/20/13/08/1021201308.db2.gz CZVIBOXWTPBCHH-LLVKDONJSA-N -1 0 313.335 -0.758 20 0 DBADRM CC(=O)NCCNC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589144056 1021201578 /nfs/dbraw/zinc/20/15/78/1021201578.db2.gz TYTIBJCFYYJKOO-SNVBAGLBSA-N -1 0 324.341 -0.541 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccn(C)n1 ZINC001589228918 1021202682 /nfs/dbraw/zinc/20/26/82/1021202682.db2.gz MBBSKGIGBHFXOD-JTQLQIEISA-N -1 0 319.339 -0.582 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001589165706 1021202712 /nfs/dbraw/zinc/20/27/12/1021202712.db2.gz SJWJFAXDDGFPFS-LLVKDONJSA-N -1 0 323.353 -0.090 20 0 DBADRM CC(=O)Nc1ccc(CNC(=O)NCCOCC(=O)[O-])cn1 ZINC001589191450 1021203291 /nfs/dbraw/zinc/20/32/91/1021203291.db2.gz JZCWGWLAHCKXEL-UHFFFAOYSA-N -1 0 310.310 -0.060 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001589228894 1021204016 /nfs/dbraw/zinc/20/40/16/1021204016.db2.gz LEXRJHNCPNFXCF-YTWAJWBKSA-N -1 0 305.352 -0.032 20 0 DBADRM CC(=O)OC[C@@H](CO)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001589229390 1021204992 /nfs/dbraw/zinc/20/49/92/1021204992.db2.gz ROAKZBUXHIOPCI-LLVKDONJSA-N -1 0 311.290 -0.196 20 0 DBADRM CC(=O)c1cn(Cc2cnc(C(=O)[O-])cn2)c(=O)n(C)c1=O ZINC001589318572 1021210721 /nfs/dbraw/zinc/21/07/21/1021210721.db2.gz JNXRONOAMSRXAN-UHFFFAOYSA-N -1 0 304.262 -0.714 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001589336734 1021211864 /nfs/dbraw/zinc/21/18/64/1021211864.db2.gz LNBWHMLBKZPEKI-JOYOIKCWSA-N -1 0 322.383 -0.594 20 0 DBADRM C[C@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)[C@@H]1CCC(=O)N1 ZINC001589345821 1021214921 /nfs/dbraw/zinc/21/49/21/1021214921.db2.gz GXNXQRRWHGZAJT-CBAPKCEASA-N -1 0 307.310 -0.726 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)NCCOCC(=O)[O-])n1cccn1 ZINC001589337321 1021215058 /nfs/dbraw/zinc/21/50/58/1021215058.db2.gz QUDHTBOSPPGKJD-SNVBAGLBSA-N -1 0 312.326 -0.880 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(CCO)CC1 ZINC001589350089 1021215222 /nfs/dbraw/zinc/21/52/22/1021215222.db2.gz NTDFCZFUVHJUPJ-GFCCVEGCSA-N -1 0 313.398 -0.692 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC001589336143 1021215488 /nfs/dbraw/zinc/21/54/88/1021215488.db2.gz FCTWAOBBXSIMLX-QMMMGPOBSA-N -1 0 308.356 -0.984 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001589338087 1021216628 /nfs/dbraw/zinc/21/66/28/1021216628.db2.gz ZSMKUQDYTVFDHY-PSASIEDQSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-])n1ccnc1 ZINC001589364529 1021220154 /nfs/dbraw/zinc/22/01/54/1021220154.db2.gz HTTBYDYELAYRAP-VHSXEESVSA-N -1 0 315.351 -0.456 20 0 DBADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccccn1)N1CCN(C)CC1 ZINC001589378985 1021221026 /nfs/dbraw/zinc/22/10/26/1021221026.db2.gz XAYKSCWVRCHJOC-WCQYABFASA-N -1 0 306.366 -0.041 20 0 DBADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1cccs1)N1CCNCC1=O ZINC001589379065 1021222726 /nfs/dbraw/zinc/22/27/26/1021222726.db2.gz YBMRTWBVMMSTNN-KWQFWETISA-N -1 0 311.363 -0.190 20 0 DBADRM C[C@H](C(=O)N[C@H](CO)C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001589389271 1021229855 /nfs/dbraw/zinc/22/98/55/1021229855.db2.gz XLQBQOGBHZQEJU-DOLQZWNJSA-N -1 0 312.322 -0.888 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1)S(C)(=O)=O ZINC001589397408 1021229938 /nfs/dbraw/zinc/22/99/38/1021229938.db2.gz CYSBWJHQPNSSFS-CUYBNKCWSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@@H](C(=O)NC[C@H](F)C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001589413674 1021235695 /nfs/dbraw/zinc/23/56/95/1021235695.db2.gz JCFWCVAGLOUGDW-CBAPKCEASA-N -1 0 311.331 -0.492 20 0 DBADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@H](O)[C@@H](O)C1 ZINC001589415101 1021235936 /nfs/dbraw/zinc/23/59/36/1021235936.db2.gz NSRMGVLKIHRUGO-GDLCADMTSA-N -1 0 322.361 -0.183 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCc2c(cccc2C(N)=O)C1 ZINC001589401868 1021237069 /nfs/dbraw/zinc/23/70/69/1021237069.db2.gz YVPLFRRHKPDWPP-SECBINFHSA-N -1 0 305.334 -0.267 20 0 DBADRM CC(C)C(=O)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001589401710 1021237106 /nfs/dbraw/zinc/23/71/06/1021237106.db2.gz WTAKMQQUNUCATI-VIFPVBQESA-N -1 0 302.342 -0.253 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC001589399942 1021238846 /nfs/dbraw/zinc/23/88/46/1021238846.db2.gz IDECYLNBJDOHPJ-TVYUQYBPSA-N -1 0 318.395 -0.668 20 0 DBADRM C[C@@H](C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1)C1CCC1 ZINC001589404449 1021239592 /nfs/dbraw/zinc/23/95/92/1021239592.db2.gz PDIMKEKKUZXHEU-MWLCHTKSSA-N -1 0 322.365 -0.078 20 0 DBADRM C[C@H](C(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-])S(C)(=O)=O ZINC001589403364 1021240968 /nfs/dbraw/zinc/24/09/68/1021240968.db2.gz HFJPIIKLDLWDLT-MWLCHTKSSA-N -1 0 314.363 -0.126 20 0 DBADRM CC(C)[C@@](C)(CO)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589428316 1021247299 /nfs/dbraw/zinc/24/72/99/1021247299.db2.gz LMNBQOBFBRLKHB-GFCCVEGCSA-N -1 0 323.361 -0.836 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001589459469 1021248624 /nfs/dbraw/zinc/24/86/24/1021248624.db2.gz DDNGWYIERBVQKD-NWDGAFQWSA-N -1 0 321.337 -0.035 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001589459470 1021248963 /nfs/dbraw/zinc/24/89/63/1021248963.db2.gz DDNGWYIERBVQKD-RYUDHWBXSA-N -1 0 321.337 -0.035 20 0 DBADRM CC(C)[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589480749 1021251229 /nfs/dbraw/zinc/25/12/29/1021251229.db2.gz UQJPEZRXEKJSHD-ZETCQYMHSA-N -1 0 301.328 -0.245 20 0 DBADRM CC(C)[C@@H](OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(N)=O ZINC001589479630 1021255034 /nfs/dbraw/zinc/25/50/34/1021255034.db2.gz GYCPCQVVQYRNEI-NKWVEPMBSA-N -1 0 308.302 -0.928 20 0 DBADRM CC(C)CN(C)C(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001589614072 1021257951 /nfs/dbraw/zinc/25/79/51/1021257951.db2.gz LZZDKNTUHYMGGV-UHFFFAOYSA-N -1 0 321.341 -0.367 20 0 DBADRM C[C@@H](C(=O)OC(C)(C)C)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001589539705 1021259006 /nfs/dbraw/zinc/25/90/06/1021259006.db2.gz FQNJMONWRAXEAK-BDAKNGLRSA-N -1 0 314.338 -0.234 20 0 DBADRM CC(C)(C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1)S(C)(=O)=O ZINC001589567056 1021259404 /nfs/dbraw/zinc/25/94/04/1021259404.db2.gz NHMRFVWJTLLRRL-BDAKNGLRSA-N -1 0 307.368 -0.337 20 0 DBADRM C[C@H](C(=O)OCC(=O)NCC(=O)[O-])n1nnnc1C(C)(C)C ZINC001589543618 1021262740 /nfs/dbraw/zinc/26/27/40/1021262740.db2.gz QPWFDVOOPFVTEV-SSDOTTSWSA-N -1 0 313.314 -0.724 20 0 DBADRM CC(C)(C(=O)Nc1n[nH]c(CC(=O)[O-])n1)S(=O)(=O)C1CC1 ZINC001589582820 1021264254 /nfs/dbraw/zinc/26/42/54/1021264254.db2.gz RYQBEOZWPSASMR-UHFFFAOYSA-N -1 0 316.339 -0.274 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)NCc2cc[nH]n2)cn1 ZINC001589660233 1021265272 /nfs/dbraw/zinc/26/52/72/1021265272.db2.gz GXTBDVDOHCFPEE-UHFFFAOYSA-N -1 0 320.309 -0.319 20 0 DBADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)NC[C@@H](O)CO)cc1 ZINC001589632980 1021265431 /nfs/dbraw/zinc/26/54/31/1021265431.db2.gz XKIJFIIONWEPFM-LLVKDONJSA-N -1 0 324.333 -0.543 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)N2CCC[C@H](O)C2)cn1 ZINC001589660798 1021273392 /nfs/dbraw/zinc/27/33/92/1021273392.db2.gz QIIQWFAYZGYBIX-JTQLQIEISA-N -1 0 324.337 -0.375 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(C(=O)NCCS(C)(=O)=O)CC1 ZINC001589622844 1021273572 /nfs/dbraw/zinc/27/35/72/1021273572.db2.gz BERYJFHXGWOYLN-UHFFFAOYSA-N -1 0 321.399 -0.779 20 0 DBADRM CC(C)(C)C(=O)C(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1 ZINC001589684946 1021276878 /nfs/dbraw/zinc/27/68/78/1021276878.db2.gz RRHQCYLUNAGOEJ-MRVPVSSYSA-N -1 0 324.337 -0.899 20 0 DBADRM CC(C)(C(N)=O)C(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001589682000 1021278624 /nfs/dbraw/zinc/27/86/24/1021278624.db2.gz LFQZGPZSVYYDBZ-VIFPVBQESA-N -1 0 321.337 -0.301 20 0 DBADRM CC(C)(C)C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O ZINC001589693921 1021278815 /nfs/dbraw/zinc/27/88/15/1021278815.db2.gz KJVKTWUDWMZHRI-ZJUUUORDSA-N -1 0 308.338 -0.113 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NC[C@@]2(O)CCOC2)n1 ZINC001589675591 1021280357 /nfs/dbraw/zinc/28/03/57/1021280357.db2.gz QTFCNUCKJITOGI-ZDUSSCGKSA-N -1 0 312.326 -0.024 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)CN2CCOCC2=O)n1 ZINC001589672261 1021282686 /nfs/dbraw/zinc/28/26/86/1021282686.db2.gz BBQYHBKVARVBID-UHFFFAOYSA-N -1 0 310.310 -0.500 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001589690871 1021283118 /nfs/dbraw/zinc/28/31/18/1021283118.db2.gz HNUBFKWLSFFQKY-MWLCHTKSSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(C)[C@@H]1CCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C[C@H]1O ZINC001589732459 1021292199 /nfs/dbraw/zinc/29/21/99/1021292199.db2.gz NFRKGFFLTLVVLN-KXUCPTDWSA-N -1 0 318.345 -0.219 20 0 DBADRM CC(C)(C)[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)C(N)=O ZINC001589710101 1021293384 /nfs/dbraw/zinc/29/33/84/1021293384.db2.gz GQTTUIOHLHWCPI-QMMMGPOBSA-N -1 0 309.326 -0.397 20 0 DBADRM CC(C)(C)C[C@@H](O)CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001589756691 1021301291 /nfs/dbraw/zinc/30/12/91/1021301291.db2.gz CQUJKOLPESKYCK-VHSXEESVSA-N -1 0 321.395 -0.116 20 0 DBADRM CC(C)c1noc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)n1 ZINC001589779409 1021302516 /nfs/dbraw/zinc/30/25/16/1021302516.db2.gz DFIIRJXVNTZIAL-UHFFFAOYSA-N -1 0 318.297 -0.718 20 0 DBADRM C[C@@H](CC(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001589792702 1021303754 /nfs/dbraw/zinc/30/37/54/1021303754.db2.gz ICPPMZZOALPWRN-UWVGGRQHSA-N -1 0 320.357 -0.220 20 0 DBADRM C[C@H](CCCCO)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589808881 1021307710 /nfs/dbraw/zinc/30/77/10/1021307710.db2.gz GQFKPSDWNZMYKO-RKDXNWHRSA-N -1 0 308.346 -0.314 20 0 DBADRM C[C@H](CCCCO)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589808874 1021310077 /nfs/dbraw/zinc/31/00/77/1021310077.db2.gz GQFKPSDWNZMYKO-BDAKNGLRSA-N -1 0 308.346 -0.314 20 0 DBADRM C[C@@H](CC(C)(C)O)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589796433 1021310990 /nfs/dbraw/zinc/31/09/90/1021310990.db2.gz MEGMVVUONIICHA-YUMQZZPRSA-N -1 0 308.346 -0.315 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)CCCCO)n1cnc(-c2nnn[n-]2)n1 ZINC001589808877 1021311490 /nfs/dbraw/zinc/31/14/90/1021311490.db2.gz GQFKPSDWNZMYKO-DTWKUNHWSA-N -1 0 308.346 -0.314 20 0 DBADRM C[C@@H](CCO)N(C)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001589835030 1021313550 /nfs/dbraw/zinc/31/35/50/1021313550.db2.gz UBCNLLYJWAYXFJ-QMMMGPOBSA-N -1 0 312.355 -0.347 20 0 DBADRM CC(C)(C)NC(=O)NC(=O)CN1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001589830509 1021313808 /nfs/dbraw/zinc/31/38/08/1021313808.db2.gz PDDAKKXCHUKDIO-WCBMZHEXSA-N -1 0 301.343 -0.479 20 0 DBADRM CC(C)(C)OC(=O)[C@H](C(=O)NCC(=O)NCC(=O)[O-])C1CC1 ZINC001589843169 1021316953 /nfs/dbraw/zinc/31/69/53/1021316953.db2.gz MKAAPKDAPGRFOK-NSHDSACASA-N -1 0 314.338 -0.329 20 0 DBADRM CC(C)(C)OC(=O)C1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001589861007 1021319231 /nfs/dbraw/zinc/31/92/31/1021319231.db2.gz CNKHUOUGLNMBMH-UHFFFAOYSA-N -1 0 310.310 -0.224 20 0 DBADRM C[C@H](CNC(=O)C1CCC1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001589853519 1021319471 /nfs/dbraw/zinc/31/94/71/1021319471.db2.gz XDXHPWRLLOHDGE-MRVPVSSYSA-N -1 0 302.342 -0.205 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1CN(Cn2cc(C(=O)[O-])nn2)CCO1 ZINC001589865701 1021325575 /nfs/dbraw/zinc/32/55/75/1021325575.db2.gz FMKFIQBEVVSUSL-SNVBAGLBSA-N -1 0 312.326 -0.024 20 0 DBADRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])S(=O)(=O)C1COC1 ZINC001589890868 1021330282 /nfs/dbraw/zinc/33/02/82/1021330282.db2.gz GYPXLKDFNIVVLW-UHFFFAOYSA-N -1 0 323.367 -0.167 20 0 DBADRM CC(C)(C)OC(=O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001589890538 1021330901 /nfs/dbraw/zinc/33/09/01/1021330901.db2.gz LQDAUUKAUFISHP-SECBINFHSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)Cn1nc(C(=O)[O-])ccc1=O ZINC001589892157 1021331539 /nfs/dbraw/zinc/33/15/39/1021331539.db2.gz ZFBDHQCMGAAMLN-UHFFFAOYSA-N -1 0 311.294 -0.601 20 0 DBADRM CC(C)(C)OC(=O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001589890541 1021331932 /nfs/dbraw/zinc/33/19/32/1021331932.db2.gz LQDAUUKAUFISHP-VIFPVBQESA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001589892031 1021333319 /nfs/dbraw/zinc/33/33/19/1021333319.db2.gz XCUZMXYDDWLERN-JOYOIKCWSA-N -1 0 317.338 -0.219 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)NCC2(C(=O)[O-])CC2)C1 ZINC001589929076 1021338173 /nfs/dbraw/zinc/33/81/73/1021338173.db2.gz PXUADLJOELZSOE-UHFFFAOYSA-N -1 0 314.338 -0.051 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)c1cn[nH]c1)n1cnc(-c2nnn[n-]2)n1 ZINC001589918882 1021340036 /nfs/dbraw/zinc/34/00/36/1021340036.db2.gz OFKLGMLCCZYDEG-NKWVEPMBSA-N -1 0 302.302 -0.380 20 0 DBADRM C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001589928017 1021340156 /nfs/dbraw/zinc/34/01/56/1021340156.db2.gz SPGGMENTAYBZGZ-QMMMGPOBSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)c1ncon1 ZINC001589917654 1021341833 /nfs/dbraw/zinc/34/18/33/1021341833.db2.gz HICKBTVENPZDGU-PHDIDXHHSA-N -1 0 304.274 -0.720 20 0 DBADRM CC(C)(C)OC(=O)N1CC2CC1(C(=O)NC[C@H](O)C(=O)[O-])C2 ZINC001589953659 1021346400 /nfs/dbraw/zinc/34/64/00/1021346400.db2.gz GKHUKHUMRZMVLB-PUUHTONNSA-N -1 0 314.338 -0.052 20 0 DBADRM C[C@@H](O)C[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589996502 1021351415 /nfs/dbraw/zinc/35/14/15/1021351415.db2.gz HDNONMBTJFKEQS-RNFRBKRXSA-N -1 0 301.328 -0.103 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H]([C@H](C)O)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001589993887 1021351821 /nfs/dbraw/zinc/35/18/21/1021351821.db2.gz AXWSRHIMSUBRDU-UTLUCORTSA-N -1 0 320.357 -0.361 20 0 DBADRM C[C@@H](O)CC(C)(C)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589994151 1021352197 /nfs/dbraw/zinc/35/21/97/1021352197.db2.gz CUWCGGVKIOWOPH-RKDXNWHRSA-N -1 0 322.373 -0.068 20 0 DBADRM CC(C)(C)OC(=O)N1CCCN(CC(N)=O)[C@H](C(=O)[O-])C1 ZINC001590035125 1021372595 /nfs/dbraw/zinc/37/25/95/1021372595.db2.gz QSGBZBQSJPGAHA-VIFPVBQESA-N -1 0 301.343 -0.132 20 0 DBADRM C[C@@H](OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(=O)C1CC1 ZINC001590004400 1021374324 /nfs/dbraw/zinc/37/43/24/1021374324.db2.gz HTKDQPRFKGDJDJ-RNFRBKRXSA-N -1 0 305.298 -0.070 20 0 DBADRM C[C@@]1(C(=O)NCCNc2ccnc(-c3nnn[n-]3)n2)CCOC1 ZINC001590067584 1021375273 /nfs/dbraw/zinc/37/52/73/1021375273.db2.gz HPIPMPZDDIUVBM-CYBMUJFWSA-N -1 0 318.341 -0.967 20 0 DBADRM C[C@H](c1nc(-c2nccn2C)no1)n1cnc(-c2nnn[n-]2)n1 ZINC001590054862 1021378577 /nfs/dbraw/zinc/37/85/77/1021378577.db2.gz VKFFSWDSFUGNCH-ZCFIWIBFSA-N -1 0 313.285 -0.149 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCC(=O)NCC(=O)[O-] ZINC001590072192 1021380252 /nfs/dbraw/zinc/38/02/52/1021380252.db2.gz BJJNKSFHXBJSGQ-MRVPVSSYSA-N -1 0 315.326 -0.687 20 0 DBADRM CC1(C)[C@H](O)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590076981 1021380274 /nfs/dbraw/zinc/38/02/74/1021380274.db2.gz IRTBXMSPLZEDGJ-MRVPVSSYSA-N -1 0 313.339 -0.006 20 0 DBADRM CC1(C)CCC[C@H](CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)O1 ZINC001590095399 1021382482 /nfs/dbraw/zinc/38/24/82/1021382482.db2.gz YMUXEWCQQPLIKE-SECBINFHSA-N -1 0 320.357 -0.078 20 0 DBADRM CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H](CO)C(=O)[O-])CC1 ZINC001590127788 1021387401 /nfs/dbraw/zinc/38/74/01/1021387401.db2.gz PCXDCKLMEIEAGW-QMMMGPOBSA-N -1 0 302.327 -0.005 20 0 DBADRM CC1(F)CN(C(=O)CCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001590142219 1021387737 /nfs/dbraw/zinc/38/77/37/1021387737.db2.gz YWCOFVMOGNASDW-UHFFFAOYSA-N -1 0 323.288 -0.911 20 0 DBADRM CC1(CCNC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC1 ZINC001590125995 1021389959 /nfs/dbraw/zinc/38/99/59/1021389959.db2.gz ZGSKVSMGKNKXCW-UHFFFAOYSA-N -1 0 319.325 -0.565 20 0 DBADRM CC(C)(C)OC(=O)NC1(CC(=O)N[C@H](CO)C(=O)[O-])CC1 ZINC001590127787 1021392831 /nfs/dbraw/zinc/39/28/31/1021392831.db2.gz PCXDCKLMEIEAGW-MRVPVSSYSA-N -1 0 302.327 -0.005 20 0 DBADRM CC1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCOCC1 ZINC001590130316 1021392911 /nfs/dbraw/zinc/39/29/11/1021392911.db2.gz CLQMWMQENPBFPJ-UHFFFAOYSA-N -1 0 306.330 -0.609 20 0 DBADRM CC12CC(C1)CN2C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590152090 1021396072 /nfs/dbraw/zinc/39/60/72/1021396072.db2.gz AECOFTZYSGCYEW-UHFFFAOYSA-N -1 0 303.330 -0.348 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)CC3(C)CC3)[C@@H](O)C2)c1[O-] ZINC001513600903 1021396168 /nfs/dbraw/zinc/39/61/68/1021396168.db2.gz VSUBFRGGUAZTTN-ZJUUUORDSA-N -1 0 322.365 -0.085 20 0 DBADRM C[C@@]1(O)CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001590150377 1021397295 /nfs/dbraw/zinc/39/72/95/1021397295.db2.gz JEWSJXCKTOICDV-GFCCVEGCSA-N -1 0 306.330 -0.778 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCC[C@H](O)C(=O)[O-] ZINC001590163856 1021399691 /nfs/dbraw/zinc/39/96/91/1021399691.db2.gz YZBOBFHVYKYHLL-BDAKNGLRSA-N -1 0 320.342 -0.786 20 0 DBADRM C[C@H]1C(=O)CC[C@H]1CC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590164731 1021409489 /nfs/dbraw/zinc/40/94/89/1021409489.db2.gz USOYNAYRIXAJCT-BDAKNGLRSA-N -1 0 318.341 -0.420 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCCOCC(=O)[O-] ZINC001590163186 1021409796 /nfs/dbraw/zinc/40/97/96/1021409796.db2.gz QHXRONKFQNPIOA-SECBINFHSA-N -1 0 320.342 -0.521 20 0 DBADRM C[C@@H]1C[C@H](C)CN(C(=O)Cn2cncc(-c3nnn[n-]3)c2=O)C1 ZINC001590187449 1021416557 /nfs/dbraw/zinc/41/65/57/1021416557.db2.gz KGKAIJSZAADONP-AOOOYVTPSA-N -1 0 317.353 -0.072 20 0 DBADRM C[C@@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)CCS1(=O)=O ZINC001590210753 1021428209 /nfs/dbraw/zinc/42/82/09/1021428209.db2.gz ZVVSSEORWBXVDC-SFYZADRCSA-N -1 0 309.355 -0.544 20 0 DBADRM C[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)CCS1(=O)=O ZINC001590210752 1021429664 /nfs/dbraw/zinc/42/96/64/1021429664.db2.gz ZVVSSEORWBXVDC-JGVFFNPUSA-N -1 0 309.355 -0.544 20 0 DBADRM C[C@H]1CCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C[C@@H]1F ZINC001590262813 1021433871 /nfs/dbraw/zinc/43/38/71/1021433871.db2.gz BMMHIPXHXUJJQW-IUCAKERBSA-N -1 0 323.336 -0.152 20 0 DBADRM CC(C)(C)OC(=O)NOCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001590232929 1021434040 /nfs/dbraw/zinc/43/40/40/1021434040.db2.gz MESDSGSVXZHWQY-QMMMGPOBSA-N -1 0 304.299 -0.245 20 0 DBADRM CC1CCN(C(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC1 ZINC001590264356 1021434227 /nfs/dbraw/zinc/43/42/27/1021434227.db2.gz PBSVESMLBKJPHX-UHFFFAOYSA-N -1 0 319.325 -0.613 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H](C)[C@@H]1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001590264060 1021434501 /nfs/dbraw/zinc/43/45/01/1021434501.db2.gz PYDQNLOERLANAH-HLTSFMKQSA-N -1 0 306.330 -0.752 20 0 DBADRM C[C@@H](C(=O)N1CCO[C@H](C)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001590263648 1021439620 /nfs/dbraw/zinc/43/96/20/1021439620.db2.gz OIIMTWUPDNMXJM-BDAKNGLRSA-N -1 0 306.330 -0.343 20 0 DBADRM C[C@H]1CC2(CC(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)C2)CO1 ZINC001590223595 1021439751 /nfs/dbraw/zinc/43/97/51/1021439751.db2.gz RKUXLTYODNPAGX-BVDKZHGWSA-N -1 0 318.341 -0.468 20 0 DBADRM C[C@H](C(=O)NN1CCCC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590257795 1021440273 /nfs/dbraw/zinc/44/02/73/1021440273.db2.gz ZGZHWSQWSMBHKG-RKDXNWHRSA-N -1 0 305.346 -0.075 20 0 DBADRM C[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)CCS1(=O)=O ZINC001590274283 1021440850 /nfs/dbraw/zinc/44/08/50/1021440850.db2.gz IPTNEVULFMBOMD-MRVPVSSYSA-N -1 0 309.355 -0.330 20 0 DBADRM C[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C[C@H]1F ZINC001590276247 1021443524 /nfs/dbraw/zinc/44/35/24/1021443524.db2.gz LIDXEGVWKPBHAT-RNFRBKRXSA-N -1 0 309.305 -0.562 20 0 DBADRM CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001590295898 1021450308 /nfs/dbraw/zinc/45/03/08/1021450308.db2.gz CBWCRHYNPCQEAP-KYZUINATSA-N -1 0 314.338 -0.052 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)CCN1CCO ZINC001590298846 1021452267 /nfs/dbraw/zinc/45/22/67/1021452267.db2.gz PGQBCSCHXXFKPJ-VIFPVBQESA-N -1 0 306.326 -0.402 20 0 DBADRM C/C=C(/C)C(=O)N(C)C[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001514577823 1021453247 /nfs/dbraw/zinc/45/32/47/1021453247.db2.gz SHDPHPLHZTXQRY-FWAPLPHYSA-N -1 0 323.353 -0.285 20 0 DBADRM C[C@@H]1COC2(CCC2)CN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590322207 1021454273 /nfs/dbraw/zinc/45/42/73/1021454273.db2.gz FXYWIMRKHDOLOT-SECBINFHSA-N -1 0 318.341 -0.372 20 0 DBADRM CC(C)(C)[S@](=O)CCNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001590425623 1021484498 /nfs/dbraw/zinc/48/44/98/1021484498.db2.gz GAQZFCKBLALNID-KRNBLGIKSA-N -1 0 318.395 -0.371 20 0 DBADRM C[C@H](C(=O)N[C@H]1[C@@H](C)O[C@@H](C)[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590333200 1021461661 /nfs/dbraw/zinc/46/16/61/1021461661.db2.gz BZFIAEQLUQASMP-SQXHDICFSA-N -1 0 320.357 -0.053 20 0 DBADRM C[C@H](C(=O)N1CCSC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590328365 1021462033 /nfs/dbraw/zinc/46/20/33/1021462033.db2.gz YQGXWDRAICGPOJ-HTQZYQBOSA-N -1 0 308.371 -0.017 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CSC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590328243 1021462331 /nfs/dbraw/zinc/46/23/31/1021462331.db2.gz FRVYZNOZFZCREC-BWZBUEFSSA-N -1 0 308.371 -0.113 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590334025 1021463597 /nfs/dbraw/zinc/46/35/97/1021463597.db2.gz ISBYLUICKVGNIZ-XZMZPDFPSA-N -1 0 321.341 -0.110 20 0 DBADRM C[C@H](C(=O)O[C@@H]1CCOC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590323176 1021464953 /nfs/dbraw/zinc/46/49/53/1021464953.db2.gz IULGJAINQGGZIO-IWSPIJDZSA-N -1 0 307.314 -0.013 20 0 DBADRM C[C@H](C(=O)N1CCCOC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590326078 1021465479 /nfs/dbraw/zinc/46/54/79/1021465479.db2.gz NKOBBEWFEOJAJS-RKDXNWHRSA-N -1 0 306.330 -0.343 20 0 DBADRM C/C=C/C(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001590351886 1021472174 /nfs/dbraw/zinc/47/21/74/1021472174.db2.gz IQEJPOXLMTYOJF-NSCUHMNNSA-N -1 0 303.282 -0.912 20 0 DBADRM C[C@H](C(=O)OC[C@H]1CCO[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590337011 1021472228 /nfs/dbraw/zinc/47/22/28/1021472228.db2.gz LETCYJKOEMKCEA-HRDYMLBCSA-N -1 0 307.314 -0.013 20 0 DBADRM C/C=C(\CC)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590351057 1021474611 /nfs/dbraw/zinc/47/46/11/1021474611.db2.gz XABOBVDURMAZOU-FPYGCLRLSA-N -1 0 319.325 -0.399 20 0 DBADRM CC(C)(C)OCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001590378353 1021480002 /nfs/dbraw/zinc/48/00/02/1021480002.db2.gz PRAQHSHPRMOLED-QPUJVOFHSA-N -1 0 307.368 -0.194 20 0 DBADRM CCC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590364777 1021480895 /nfs/dbraw/zinc/48/08/95/1021480895.db2.gz DNVHVYPTUIMWFZ-KYZUINATSA-N -1 0 302.342 -0.205 20 0 DBADRM CC[C@H](C[C@@H](C)CO)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590426160 1021484911 /nfs/dbraw/zinc/48/49/11/1021484911.db2.gz WGGYIXUCSWFNLX-OPRDCNLKSA-N -1 0 322.373 -0.068 20 0 DBADRM CC[C@H](C)OCC(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001590415525 1021485447 /nfs/dbraw/zinc/48/54/47/1021485447.db2.gz GPGSSXPXSCXLRE-VIFPVBQESA-N -1 0 320.357 -0.578 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001590425412 1021485611 /nfs/dbraw/zinc/48/56/11/1021485611.db2.gz DXHIAMHMXGZAGT-SFHVURJKSA-N -1 0 314.385 -0.741 20 0 DBADRM CC[C@@H](C)N(CC(=O)OC)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590413329 1021487420 /nfs/dbraw/zinc/48/74/20/1021487420.db2.gz ZXMPUSRMSDSEMX-MRVPVSSYSA-N -1 0 322.329 -0.742 20 0 DBADRM CCC(CC)(NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(N)=O ZINC001590427890 1021488071 /nfs/dbraw/zinc/48/80/71/1021488071.db2.gz QSQLHYKRDKZTGZ-ZETCQYMHSA-N -1 0 321.345 -0.821 20 0 DBADRM CC[C@@H](C)CC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590404345 1021488302 /nfs/dbraw/zinc/48/83/02/1021488302.db2.gz NQDLCVVMCNZZGU-MRVPVSSYSA-N -1 0 321.341 -0.319 20 0 DBADRM CC[C@@H](C[C@H](C)O)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001590420748 1021488505 /nfs/dbraw/zinc/48/85/05/1021488505.db2.gz BATIZKVEKYHWBE-YUMQZZPRSA-N -1 0 323.357 -0.775 20 0 DBADRM CC[C@@H](CCO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590439236 1021489485 /nfs/dbraw/zinc/48/94/85/1021489485.db2.gz LQWMJYFGPVXTFC-ZETCQYMHSA-N -1 0 301.328 -0.101 20 0 DBADRM CC[C@H](C)N(CC(=O)OC)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590413331 1021490344 /nfs/dbraw/zinc/49/03/44/1021490344.db2.gz ZXMPUSRMSDSEMX-QMMMGPOBSA-N -1 0 322.329 -0.742 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)NCCOCC(=O)[O-] ZINC001590422124 1021490808 /nfs/dbraw/zinc/49/08/08/1021490808.db2.gz GKQVUMCYGRWHII-UHFFFAOYSA-N -1 0 310.372 -0.400 20 0 DBADRM CC[C@H](C[C@H](C)CO)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590426157 1021490885 /nfs/dbraw/zinc/49/08/85/1021490885.db2.gz WGGYIXUCSWFNLX-IVZWLZJFSA-N -1 0 322.373 -0.068 20 0 DBADRM CC[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ncc[nH]1 ZINC001590453839 1021496264 /nfs/dbraw/zinc/49/62/64/1021496264.db2.gz CPAYBYKVTAUBRU-SSDOTTSWSA-N -1 0 302.302 -0.551 20 0 DBADRM CC[C@H](CNS(=O)(=O)c1cccnc1-c1nnn[n-]1)OC ZINC001590446973 1021499135 /nfs/dbraw/zinc/49/91/35/1021499135.db2.gz QYWZMKBBIATXNU-MRVPVSSYSA-N -1 0 312.355 -0.035 20 0 DBADRM CC(C)(C)[C@H](NS(=O)(=O)CCN1CCOC1=O)C(=O)[O-] ZINC001590444877 1021502137 /nfs/dbraw/zinc/50/21/37/1021502137.db2.gz CQOCSQXLCGHOJX-MRVPVSSYSA-N -1 0 308.356 -0.143 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(-c3nn[nH]n3)o2)C1=O ZINC001590491831 1021506378 /nfs/dbraw/zinc/50/63/78/1021506378.db2.gz LZJFDHKPKNRLIL-GFCCVEGCSA-N -1 0 319.281 -0.175 20 0 DBADRM CCC(O)(CC)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590473090 1021508893 /nfs/dbraw/zinc/50/88/93/1021508893.db2.gz CFOCKBGQHXZWLV-MRVPVSSYSA-N -1 0 308.346 -0.314 20 0 DBADRM CC[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(C)(C)O ZINC001590471982 1021510488 /nfs/dbraw/zinc/51/04/88/1021510488.db2.gz PNDQKDOZOJYJRU-ZETCQYMHSA-N -1 0 323.357 -0.775 20 0 DBADRM CC[C@@H]1CO[C@@H](CC)CN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590517593 1021510752 /nfs/dbraw/zinc/51/07/52/1021510752.db2.gz GCBDEHUIONNKTL-ZJUUUORDSA-N -1 0 320.357 -0.126 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001590499980 1021511415 /nfs/dbraw/zinc/51/14/15/1021511415.db2.gz IYQJJJRBRAIEGF-QPUJVOFHSA-N -1 0 306.330 -0.607 20 0 DBADRM CC[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(C)(C)O ZINC001590471981 1021512641 /nfs/dbraw/zinc/51/26/41/1021512641.db2.gz PNDQKDOZOJYJRU-SSDOTTSWSA-N -1 0 323.357 -0.775 20 0 DBADRM CC[C@@H]1CN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001590516378 1021513298 /nfs/dbraw/zinc/51/32/98/1021513298.db2.gz FERIJQWTCBXNRB-DTWKUNHWSA-N -1 0 306.330 -0.343 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@@H](C)CO1 ZINC001590519117 1021515318 /nfs/dbraw/zinc/51/53/18/1021515318.db2.gz VXIWLODIPJMTJT-DTWKUNHWSA-N -1 0 306.330 -0.516 20 0 DBADRM CC(C)(C)c1ncc(NC(=O)C(=O)NCCOCC(=O)[O-])cn1 ZINC001590556204 1021516424 /nfs/dbraw/zinc/51/64/24/1021516424.db2.gz LVONIKCSVWBJTL-UHFFFAOYSA-N -1 0 324.337 -0.070 20 0 DBADRM CC[C@@H]1CCN1C(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590518720 1021517586 /nfs/dbraw/zinc/51/75/86/1021517586.db2.gz YFCAHWQAKLQNBQ-MRVPVSSYSA-N -1 0 319.325 -0.470 20 0 DBADRM CCC[C@H](OCC)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590561912 1021517798 /nfs/dbraw/zinc/51/77/98/1021517798.db2.gz KWBPAMBUWSTKQR-VIFPVBQESA-N -1 0 308.346 -0.220 20 0 DBADRM CCC[C@@H](CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)OC ZINC001590557872 1021518244 /nfs/dbraw/zinc/51/82/44/1021518244.db2.gz URUDVQBNIOZFAR-BDAKNGLRSA-N -1 0 308.346 -0.050 20 0 DBADRM CCCCC(=O)Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C)c1=O ZINC001590571051 1021521858 /nfs/dbraw/zinc/52/18/58/1021521858.db2.gz VIGVCAAAZHFFER-UHFFFAOYSA-N -1 0 306.326 -0.205 20 0 DBADRM CCC[C@@](C)(CO)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590543862 1021522093 /nfs/dbraw/zinc/52/20/93/1021522093.db2.gz VPVPCNGPEJTULM-LBPRGKRZSA-N -1 0 323.361 -0.692 20 0 DBADRM CC(C)(C)n1cnc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)n1 ZINC001590603140 1021525338 /nfs/dbraw/zinc/52/53/38/1021525338.db2.gz QPQZAWHPZWRFKW-UHFFFAOYSA-N -1 0 309.326 -0.047 20 0 DBADRM CCCCOC(=O)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590605425 1021525945 /nfs/dbraw/zinc/52/59/45/1021525945.db2.gz ADQBDRHLYSOMCE-QMMMGPOBSA-N -1 0 322.329 -0.521 20 0 DBADRM CCCCn1nnnc1Cn1ccc(-c2nnn[n-]2)cc1=O ZINC001590616010 1021528964 /nfs/dbraw/zinc/52/89/64/1021528964.db2.gz MAJYBCVTKQBXKU-UHFFFAOYSA-N -1 0 301.314 -0.137 20 0 DBADRM CC(C)(CCN1CCOC[C@@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC001590671108 1021533961 /nfs/dbraw/zinc/53/39/61/1021533961.db2.gz OQIHYXHPQHFNGF-JTQLQIEISA-N -1 0 308.400 -0.263 20 0 DBADRM CCN(C)C(=O)Cn1c2c(cc(-c3nnn[n-]3)c1=O)CCC2 ZINC001590676270 1021535425 /nfs/dbraw/zinc/53/54/25/1021535425.db2.gz AUTIFFSWGMPMPI-UHFFFAOYSA-N -1 0 302.338 -0.005 20 0 DBADRM CCCOC(=O)[C@H](C)OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590639718 1021535482 /nfs/dbraw/zinc/53/54/82/1021535482.db2.gz KCIDJPOMLKEHER-YUMQZZPRSA-N -1 0 323.313 -0.096 20 0 DBADRM CC(C)(CCS(=O)(=O)N1CC[C@H]1C(=O)[O-])S(C)(=O)=O ZINC001590694355 1021542055 /nfs/dbraw/zinc/54/20/55/1021542055.db2.gz KQHJCWTXVMTIMA-QMMMGPOBSA-N -1 0 313.397 -0.312 20 0 DBADRM CCN(CC(F)F)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590682652 1021543283 /nfs/dbraw/zinc/54/32/83/1021543283.db2.gz JTEPFCFFVBCVCR-UHFFFAOYSA-N -1 0 301.257 -0.655 20 0 DBADRM CC(C)(CNC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)N1CCCC1 ZINC001590713519 1021550540 /nfs/dbraw/zinc/55/05/40/1021550540.db2.gz LKWRKIFLASDVGY-UHFFFAOYSA-N -1 0 323.353 -0.259 20 0 DBADRM CC(C)(CNC(=O)C(=O)N1CCN(C2CC2)CC1)CC(=O)[O-] ZINC001590702961 1021550852 /nfs/dbraw/zinc/55/08/52/1021550852.db2.gz SANGTRMNQOGFSD-UHFFFAOYSA-N -1 0 311.382 -0.090 20 0 DBADRM CCN(c1nnc(Cn2cnc(-c3nnn[n-]3)n2)n1C)C(C)C ZINC001590725614 1021559177 /nfs/dbraw/zinc/55/91/77/1021559177.db2.gz DNYBNSBBILOHSZ-UHFFFAOYSA-N -1 0 317.361 -0.130 20 0 DBADRM CCOC(=O)[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590754190 1021567814 /nfs/dbraw/zinc/56/78/14/1021567814.db2.gz QZFQLRCGMIJWOO-SECBINFHSA-N -1 0 321.293 -0.774 20 0 DBADRM CC(C)(CNC(N)=O)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001590758274 1021572145 /nfs/dbraw/zinc/57/21/45/1021572145.db2.gz AQDNEDJRWIGWKC-HTQZYQBOSA-N -1 0 302.331 -0.778 20 0 DBADRM CCOC(=O)CCC(=O)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001590764006 1021576663 /nfs/dbraw/zinc/57/66/63/1021576663.db2.gz PEYGVVWHCGXIEG-UHFFFAOYSA-N -1 0 305.294 -0.059 20 0 DBADRM CCOC(=O)CCOC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590762928 1021578660 /nfs/dbraw/zinc/57/86/60/1021578660.db2.gz VCWCPZMBAMIGEN-ZETCQYMHSA-N -1 0 309.286 -0.484 20 0 DBADRM CCOC(=O)CN(C)C(=O)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001590764671 1021580092 /nfs/dbraw/zinc/58/00/92/1021580092.db2.gz NGGDPJGRFFPUQZ-UHFFFAOYSA-N -1 0 320.309 -0.950 20 0 DBADRM CC(C)(CS(=O)(=O)N[C@H](CO)C[C@@H]1CCCO1)C(=O)[O-] ZINC001590799312 1021582737 /nfs/dbraw/zinc/58/27/37/1021582737.db2.gz PUTJEEVBAICJDP-UWVGGRQHSA-N -1 0 309.384 -0.053 20 0 DBADRM CCOCC(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC001590799289 1021584121 /nfs/dbraw/zinc/58/41/21/1021584121.db2.gz XRWJTYNHHGTTBF-UHFFFAOYSA-N -1 0 311.323 -0.292 20 0 DBADRM CC(C)(COC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)N1CCNC1=O ZINC001590783257 1021585545 /nfs/dbraw/zinc/58/55/45/1021585545.db2.gz DVYPEFAEYLOELZ-DTWKUNHWSA-N -1 0 300.311 -0.034 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCC(=O)NCC12COC2)C(=O)[O-] ZINC001590788955 1021585619 /nfs/dbraw/zinc/58/56/19/1021585619.db2.gz KHOXGFBNYJPKTN-UHFFFAOYSA-N -1 0 320.367 -0.982 20 0 DBADRM CC(C)(CS(=O)(=O)NC1CC(N2CCOCC2)C1)C(=O)[O-] ZINC001590802730 1021586623 /nfs/dbraw/zinc/58/66/23/1021586623.db2.gz FNSAOYJDXLSGQP-UHFFFAOYSA-N -1 0 320.411 -0.120 20 0 DBADRM CCOC[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001590802073 1021587143 /nfs/dbraw/zinc/58/71/43/1021587143.db2.gz XUVJIEQHRCMMSM-MRVPVSSYSA-N -1 0 321.341 -0.884 20 0 DBADRM CC(C)(CS(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001590802758 1021589018 /nfs/dbraw/zinc/58/90/18/1021589018.db2.gz GCCBPYTZEINXJH-MRVPVSSYSA-N -1 0 313.397 -0.406 20 0 DBADRM CCOC[C@H]1CN(Cn2cccc(-c3nnn[n-]3)c2=O)CCO1 ZINC001590801513 1021589971 /nfs/dbraw/zinc/58/99/71/1021589971.db2.gz OHTJKKRIZRXIIQ-LLVKDONJSA-N -1 0 320.353 -0.277 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001590819437 1021592272 /nfs/dbraw/zinc/59/22/72/1021592272.db2.gz SPUQVKKZQGAVNU-NSHDSACASA-N -1 0 320.309 -0.916 20 0 DBADRM CC(C)(F)C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001590826803 1021593294 /nfs/dbraw/zinc/59/32/94/1021593294.db2.gz KQAKGCYOQROICB-ZETCQYMHSA-N -1 0 300.290 -0.766 20 0 DBADRM CC(C)(F)C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001590827530 1021593330 /nfs/dbraw/zinc/59/33/30/1021593330.db2.gz ZRZHLODWNZWURI-BDAKNGLRSA-N -1 0 316.329 -0.465 20 0 DBADRM CCON(C)C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590817889 1021595386 /nfs/dbraw/zinc/59/53/86/1021595386.db2.gz NOOQQYWLMSYIOZ-UHFFFAOYSA-N -1 0 320.309 -0.288 20 0 DBADRM CC(C)(NC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O)C(=O)[O-] ZINC001590835944 1021597322 /nfs/dbraw/zinc/59/73/22/1021597322.db2.gz DUTMNBKUKAUUMU-UHFFFAOYSA-N -1 0 319.317 -0.110 20 0 DBADRM CC(C)(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ncon1 ZINC001590879139 1021602578 /nfs/dbraw/zinc/60/25/78/1021602578.db2.gz MAMXOIVJPVAZJA-UHFFFAOYSA-N -1 0 318.355 -0.064 20 0 DBADRM CC(C)(NS(=O)(=O)c1cccc2c1OCO2)[C@H](O)C(=O)[O-] ZINC001590879748 1021602609 /nfs/dbraw/zinc/60/26/09/1021602609.db2.gz LNSQJIQCROWKPC-SNVBAGLBSA-N -1 0 317.319 -0.082 20 0 DBADRM CC(C)(O)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001590893077 1021603739 /nfs/dbraw/zinc/60/37/39/1021603739.db2.gz CWFUPVKDFJUKJG-GWOFURMSSA-N -1 0 312.366 -0.121 20 0 DBADRM CC(C)(O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001590889417 1021603776 /nfs/dbraw/zinc/60/37/76/1021603776.db2.gz VSDJKRDFSJMPCD-BDAKNGLRSA-N -1 0 304.318 -0.465 20 0 DBADRM CCc1cccnc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590899583 1021604906 /nfs/dbraw/zinc/60/49/06/1021604906.db2.gz QPPALGRECYMUKL-UHFFFAOYSA-N -1 0 313.325 -0.154 20 0 DBADRM CC(C)(O)CCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001590898489 1021605392 /nfs/dbraw/zinc/60/53/92/1021605392.db2.gz WYVFMXCUVBSIKZ-HNNXBMFYSA-N -1 0 314.382 -0.075 20 0 DBADRM CC(C)(O)CN1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001590898845 1021606555 /nfs/dbraw/zinc/60/65/55/1021606555.db2.gz AFCOQWSHLVFEQC-UHFFFAOYSA-N -1 0 320.411 -0.288 20 0 DBADRM CCc1cc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n(C)n1 ZINC001590882774 1021606863 /nfs/dbraw/zinc/60/68/63/1021606863.db2.gz OKBWUGQWVBQYJV-ZETCQYMHSA-N -1 0 316.329 -0.046 20 0 DBADRM CC(C)C(=O)N1CCC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001590931576 1021610999 /nfs/dbraw/zinc/61/09/99/1021610999.db2.gz HUXWYRUNOQKYKS-QWRGUYRKSA-N -1 0 312.366 -0.167 20 0 DBADRM CCc1nn(Cc2cnnn2C)c(=O)c(-c2nnn[n-]2)c1CC ZINC001590929844 1021611168 /nfs/dbraw/zinc/61/11/68/1021611168.db2.gz ZIPZAFUIJGZMNW-UHFFFAOYSA-N -1 0 315.341 -0.275 20 0 DBADRM CC(C)C(=O)N(C)CCOCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001590928187 1021612017 /nfs/dbraw/zinc/61/20/17/1021612017.db2.gz VTEIZEXXTYIVNY-QWRGUYRKSA-N -1 0 300.355 -0.046 20 0 DBADRM CC(C)C(=O)N1CCCC[C@H]1C(=O)NCC[C@H](O)C(=O)[O-] ZINC001590933583 1021612261 /nfs/dbraw/zinc/61/22/61/1021612261.db2.gz MSZYFULWOCINNU-QWRGUYRKSA-N -1 0 300.355 -0.025 20 0 DBADRM CCc1nnc(COC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)o1 ZINC001590930920 1021613099 /nfs/dbraw/zinc/61/30/99/1021613099.db2.gz RICCCKXEDLPWSZ-ZCFIWIBFSA-N -1 0 319.285 -0.292 20 0 DBADRM CCn1ccnc1[C@@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590961225 1021615333 /nfs/dbraw/zinc/61/53/33/1021615333.db2.gz RIZCPIYOJVCPLC-MRVPVSSYSA-N -1 0 316.329 -0.448 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccnc(C)c2)c1=O ZINC001590949661 1021615541 /nfs/dbraw/zinc/61/55/41/1021615541.db2.gz JBWOUVOIIDDQLF-UHFFFAOYSA-N -1 0 313.321 -0.038 20 0 DBADRM CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]1C(=O)[O-])N1CCCS1(=O)=O ZINC001590958773 1021616567 /nfs/dbraw/zinc/61/65/67/1021616567.db2.gz ZBZCLOUUKCODGV-MXWKQRLJSA-N -1 0 318.395 -0.117 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)C2(C)CC2)c1=O ZINC001590950238 1021617540 /nfs/dbraw/zinc/61/75/40/1021617540.db2.gz XUKCMTTZHGOUMV-UHFFFAOYSA-N -1 0 304.310 -0.421 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)OC(C)C)c1=O ZINC001590950103 1021617693 /nfs/dbraw/zinc/61/76/93/1021617693.db2.gz QXUPWKFTMNBUFL-UHFFFAOYSA-N -1 0 308.298 -0.838 20 0 DBADRM CCn1ccc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001590959793 1021617862 /nfs/dbraw/zinc/61/78/62/1021617862.db2.gz UFBRWUFWHYNTOX-SSDOTTSWSA-N -1 0 302.302 -0.126 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001590938625 1021617993 /nfs/dbraw/zinc/61/79/93/1021617993.db2.gz HYRPUWCGVMGAGP-NSHDSACASA-N -1 0 324.337 -0.833 20 0 DBADRM CC(C)[C@@](C)(NS(=O)(=O)c1cccnc1C(=O)[O-])C(N)=O ZINC001590967504 1021619951 /nfs/dbraw/zinc/61/99/51/1021619951.db2.gz XXECZLYZBCQMCE-GFCCVEGCSA-N -1 0 315.351 -0.042 20 0 DBADRM CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001591001039 1021623993 /nfs/dbraw/zinc/62/39/93/1021623993.db2.gz CVVGVYNRUSYXOL-CABZTGNLSA-N -1 0 308.338 -0.002 20 0 DBADRM CC(C)[C@@H](CO)ONC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001590989024 1021627016 /nfs/dbraw/zinc/62/70/16/1021627016.db2.gz VCPNHANHLAJAQB-SECBINFHSA-N -1 0 301.303 -0.776 20 0 DBADRM CC(C)[C@H](CO)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001590988787 1021628207 /nfs/dbraw/zinc/62/82/07/1021628207.db2.gz SKNZFAVMKCDEQH-GUBZILKMSA-N -1 0 303.359 -0.472 20 0 DBADRM O=C(NCCNC(=O)C1CCC1)c1c[n-]n2c1nccc2=O ZINC001522485258 1021727597 /nfs/dbraw/zinc/72/75/97/1021727597.db2.gz JKADHJDNEQBKIS-UHFFFAOYSA-N -1 0 303.322 -0.331 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2cc(C)nc(C)n2)c1[O-] ZINC001522584633 1021801433 /nfs/dbraw/zinc/80/14/33/1021801433.db2.gz HPOXQXWMEUOVRY-UHFFFAOYSA-N -1 0 318.337 -0.010 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@@H](C)c2ccnn2C)c1[O-] ZINC001522591427 1021804954 /nfs/dbraw/zinc/80/49/54/1021804954.db2.gz NAMIDLAJICSCKP-QMMMGPOBSA-N -1 0 320.353 -0.193 20 0 DBADRM CCCC[C@H](C)C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001522616160 1021815630 /nfs/dbraw/zinc/81/56/30/1021815630.db2.gz PRQJICJCAPSURY-QMMMGPOBSA-N -1 0 311.342 -0.045 20 0 DBADRM CC[C@]1(C)C[C@@H]1C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001522781114 1021866079 /nfs/dbraw/zinc/86/60/79/1021866079.db2.gz ABILSBBBNTZWID-AMIZOPFISA-N -1 0 311.342 -0.642 20 0 DBADRM CC[C@@]1(C)C[C@H]1C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001522781117 1021866403 /nfs/dbraw/zinc/86/64/03/1021866403.db2.gz ABILSBBBNTZWID-SDBXPKJASA-N -1 0 311.342 -0.642 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)[C@@H]2CCC(=O)N2C)c1[O-] ZINC001522882440 1021895352 /nfs/dbraw/zinc/89/53/52/1021895352.db2.gz XWFABBMMTFSSGL-VIFPVBQESA-N -1 0 323.353 -0.719 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCCNC(=O)Cn2cccn2)c1[O-] ZINC001523346712 1022047066 /nfs/dbraw/zinc/04/70/66/1022047066.db2.gz KDFDKOJDSATUHJ-UHFFFAOYSA-N -1 0 320.353 -0.101 20 0 DBADRM CN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1(C)CC1 ZINC001523700116 1022095421 /nfs/dbraw/zinc/09/54/21/1022095421.db2.gz XCTXSCULHOCEGM-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N(CCCNC(=O)C1CC1)C1CC1 ZINC001523958937 1022163999 /nfs/dbraw/zinc/16/39/99/1022163999.db2.gz JKVHAQIJQVIMTH-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CC/C=C(\C)C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001525336311 1022387837 /nfs/dbraw/zinc/38/78/37/1022387837.db2.gz SPRGJKSCAVDRMM-HDXDTZNISA-N -1 0 323.353 -0.191 20 0 DBADRM Cc1cc(CC(=O)N[C@@H](C)CNC(=O)c2[nH]nc(C)c2[O-])n[nH]1 ZINC001526500608 1022512303 /nfs/dbraw/zinc/51/23/03/1022512303.db2.gz QSFLPZFILFVUTO-QMMMGPOBSA-N -1 0 320.353 -0.068 20 0 DBADRM COC[C@@H](NC(=O)c1cn(-c2ccccc2)nn1)c1nnn[n-]1 ZINC001558340222 1023955432 /nfs/dbraw/zinc/95/54/32/1023955432.db2.gz YHOQJECPXXHJBQ-LLVKDONJSA-N -1 0 314.309 -0.102 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC001558636847 1023965629 /nfs/dbraw/zinc/96/56/29/1023965629.db2.gz CDJCKZATTKUABC-UHFFFAOYSA-N -1 0 321.742 -0.605 20 0 DBADRM C[S@@](=O)(=NS(=O)(=O)[N-]CCOCCO)c1ccccc1 ZINC001561290273 1024008214 /nfs/dbraw/zinc/00/82/14/1024008214.db2.gz WXIYCRUGPYQOPL-IBGZPJMESA-N -1 0 322.408 -0.013 20 0 DBADRM Cc1nn2cccnc2c1S(=O)(=O)N[C@@H]1CC(=O)N(C)C1=O ZINC001561560015 1024011907 /nfs/dbraw/zinc/01/19/07/1024011907.db2.gz AFWSYKGSBUXVDO-MRVPVSSYSA-N -1 0 323.334 -0.927 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cc(NC(C)=O)ccc1C ZINC001561981761 1024019121 /nfs/dbraw/zinc/01/91/21/1024019121.db2.gz HBQIMESFDYZMLD-UHFFFAOYSA-N -1 0 315.351 -0.091 20 0 DBADRM NC(=O)c1cccc(NC(=O)NCCCc2c[nH][nH]c2=O)n1 ZINC001562529613 1024021227 /nfs/dbraw/zinc/02/12/27/1024021227.db2.gz BQBUHENNOZIHSR-QMMMGPOBSA-N -1 0 304.310 -0.186 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1cc(C)nc(N2CCCC2)n1 ZINC001564865731 1024043150 /nfs/dbraw/zinc/04/31/50/1024043150.db2.gz VASVBBNLYRELLE-UHFFFAOYSA-N -1 0 322.369 -0.138 20 0 DBADRM O=C(c1ccnc2n[nH]nc21)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001565614226 1024059303 /nfs/dbraw/zinc/05/93/03/1024059303.db2.gz FJEWJHRYNPDDAL-ZETCQYMHSA-N -1 0 301.270 -0.920 20 0 DBADRM Cn1c(CO)nc2cc(C(=O)NCc3n[nH]c(=O)[n-]3)ccc21 ZINC001566245034 1024150974 /nfs/dbraw/zinc/15/09/74/1024150974.db2.gz SMESKISQEIVNHP-UHFFFAOYSA-N -1 0 302.294 -0.181 20 0 DBADRM CN(CCCNC(=O)[C@H]1CCNC(=O)CC1)Cc1n[nH]c(=O)[n-]1 ZINC001566477142 1024197659 /nfs/dbraw/zinc/19/76/59/1024197659.db2.gz LRIWLNSIOYGCNC-SNVBAGLBSA-N -1 0 324.385 -0.635 20 0 DBADRM CN(CCCNC(=O)Cc1cncn1C)Cc1n[nH]c(=O)[n-]1 ZINC001566508351 1024226141 /nfs/dbraw/zinc/22/61/41/1024226141.db2.gz AYAHZDFOMQJLOQ-UHFFFAOYSA-N -1 0 307.358 -0.575 20 0 DBADRM CN(CCCNC(=O)CCc1cn(C)nn1)Cc1n[nH]c(=O)[n-]1 ZINC001566522135 1024233593 /nfs/dbraw/zinc/23/35/93/1024233593.db2.gz QDHXPSDGJTZEII-UHFFFAOYSA-N -1 0 322.373 -0.790 20 0 DBADRM CC(C)=CC(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001566647738 1024306751 /nfs/dbraw/zinc/30/67/51/1024306751.db2.gz LFFQOGGPTASRIR-UHFFFAOYSA-N -1 0 308.386 -0.290 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H]1OCC[C@@H]1C(=O)[N-]OCC(N)=O ZINC001566980832 1024442715 /nfs/dbraw/zinc/44/27/15/1024442715.db2.gz REVRHUZWLNPYLE-DTWKUNHWSA-N -1 0 317.342 -0.551 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)C[C@@H]2CCNC2=O)ccc1[O-] ZINC001567089318 1024515542 /nfs/dbraw/zinc/51/55/42/1024515542.db2.gz BFDKQCSCTFAIQH-ZETCQYMHSA-N -1 0 313.335 -0.496 20 0 DBADRM Cc1cnccc1C(=O)N(C)CCNCc1nc(=O)n(C)[nH]1 ZINC001567492374 1024731820 /nfs/dbraw/zinc/73/18/20/1024731820.db2.gz QYABLDAKCDDLFD-UHFFFAOYSA-N -1 0 304.354 -0.326 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(F)c(F)cc1N ZINC001567528962 1024770013 /nfs/dbraw/zinc/77/00/13/1024770013.db2.gz PDWMSZZUDMEPOM-UHFFFAOYSA-N -1 0 321.305 -0.257 20 0 DBADRM CN1CCCC[C@@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1=O ZINC001568081978 1024862519 /nfs/dbraw/zinc/86/25/19/1024862519.db2.gz ZWDKQVWPHGUVHM-SNVBAGLBSA-N -1 0 322.369 -0.732 20 0 DBADRM C[C@H](CN(C)Cc1nc(=O)c2sccc2[n-]1)NC(=O)C(N)=O ZINC001569135654 1025154932 /nfs/dbraw/zinc/15/49/32/1025154932.db2.gz CNCXZDCEDQGKLX-SSDOTTSWSA-N -1 0 323.378 -0.181 20 0 DBADRM CNC(=O)C1(C(=O)N(C)CCCN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001570213914 1025532342 /nfs/dbraw/zinc/53/23/42/1025532342.db2.gz FVKQSJHAFSISML-UHFFFAOYSA-N -1 0 324.385 -0.683 20 0 DBADRM CC(C)(O)C1CN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001571075082 1025812164 /nfs/dbraw/zinc/81/21/64/1025812164.db2.gz XCBMLTLIEFGUIQ-UHFFFAOYSA-N -1 0 301.343 -0.620 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001571075041 1025813123 /nfs/dbraw/zinc/81/31/23/1025813123.db2.gz VGJQUPLYCLPBMP-CYBMUJFWSA-N -1 0 301.343 -0.476 20 0 DBADRM C[C@H](CNC(=O)Cc1ccc(C(=O)[O-])nc1)S(C)(=O)=O ZINC001571071935 1025808666 /nfs/dbraw/zinc/80/86/66/1025808666.db2.gz DBPDKBLRTYNNPM-MRVPVSSYSA-N -1 0 300.336 -0.128 20 0 DBADRM C[C@]1(NS(=O)(=O)c2cccnc2C(=O)[O-])CCOC1=O ZINC001571069149 1025808867 /nfs/dbraw/zinc/80/88/67/1025808867.db2.gz GJMBPLKPLBZPCS-NSHDSACASA-N -1 0 300.292 -0.236 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)Cn3ccc(C(=O)[O-])n3)ccnc1-2 ZINC001571069988 1025808924 /nfs/dbraw/zinc/80/89/24/1025808924.db2.gz VBNNKLMYWNRCDT-UHFFFAOYSA-N -1 0 300.278 -0.125 20 0 DBADRM COCc1cc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])no1 ZINC001571069509 1025809089 /nfs/dbraw/zinc/80/90/89/1025809089.db2.gz MSWYDQOGRMXEMU-VIFPVBQESA-N -1 0 300.267 -0.233 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001571074042 1025810673 /nfs/dbraw/zinc/81/06/73/1025810673.db2.gz CWFBHTAYMQECPV-XKNYDFJKSA-N -1 0 301.343 -0.624 20 0 DBADRM C[C@@H](NC(=O)CCNC(=O)CO)c1ncc(C(=O)[O-])s1 ZINC001571074644 1025810729 /nfs/dbraw/zinc/81/07/29/1025810729.db2.gz KZJSDLBDCVSJAY-ZCFIWIBFSA-N -1 0 301.324 -0.483 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H]2CC23CC(O)C3)c1C(=O)[O-] ZINC001571074639 1025810776 /nfs/dbraw/zinc/81/07/76/1025810776.db2.gz KVJCZDDCPXOUHV-UXEXPGAESA-N -1 0 301.324 -0.392 20 0 DBADRM CO[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001571073858 1025810947 /nfs/dbraw/zinc/81/09/47/1025810947.db2.gz ADZSAGCTQDBUBX-AXTSPUMRSA-N -1 0 301.343 -0.169 20 0 DBADRM NC(=O)Cn1cc(CN2Cc3ccc(C(=O)[O-])cc3C2)nn1 ZINC001571074950 1025811614 /nfs/dbraw/zinc/81/16/14/1025811614.db2.gz QIXFWWZPMGTYLI-UHFFFAOYSA-N -1 0 301.306 -0.023 20 0 DBADRM CS(=O)(=O)c1ccnc(NC[C@@]2(C(=O)[O-])CCOC2)n1 ZINC001571074684 1025811851 /nfs/dbraw/zinc/81/18/51/1025811851.db2.gz NATQPCVOVCTBOM-NSHDSACASA-N -1 0 301.324 -0.217 20 0 DBADRM COC(=O)C1(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCOCC1 ZINC001571075249 1025812209 /nfs/dbraw/zinc/81/22/09/1025812209.db2.gz SQEYBIYCOYWUMP-BDAKNGLRSA-N -1 0 301.295 -0.543 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCCc2cnccn2)c1=O ZINC001571076767 1025812401 /nfs/dbraw/zinc/81/24/01/1025812401.db2.gz IMUWPETWLSKJRY-UHFFFAOYSA-N -1 0 302.290 -0.305 20 0 DBADRM O=C([O-])c1cnc(CNC(=O)NC[C@@]2(O)CCOC2)s1 ZINC001571075349 1025812466 /nfs/dbraw/zinc/81/24/66/1025812466.db2.gz VTMFAUZRHOLISO-NSHDSACASA-N -1 0 301.324 -0.208 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)C1=CS(=O)(=O)CCC1 ZINC001571079204 1025812866 /nfs/dbraw/zinc/81/28/66/1025812866.db2.gz ALOKEINAVPEFBQ-SNVBAGLBSA-N -1 0 303.336 -0.219 20 0 DBADRM CN(CC(=O)N(CCC(F)(F)F)C[C@H](O)CO)C(=O)[O-] ZINC001571075074 1025813201 /nfs/dbraw/zinc/81/32/01/1025813201.db2.gz WUTNUKLPEPKKJE-ZETCQYMHSA-N -1 0 302.249 -0.270 20 0 DBADRM Cn1cnc(S(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC001571080426 1025814378 /nfs/dbraw/zinc/81/43/78/1025814378.db2.gz QUJPJVKISFQKJA-DTWKUNHWSA-N -1 0 303.340 -0.564 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)Cc1nnc(N)s1 ZINC001571079363 1025814534 /nfs/dbraw/zinc/81/45/34/1025814534.db2.gz IRDSVGKKERULNT-SSDOTTSWSA-N -1 0 302.356 -0.001 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)c1cnc2n1CCCC2 ZINC001571080143 1025814681 /nfs/dbraw/zinc/81/46/81/1025814681.db2.gz MXNVPQIXBMQJOO-MRVPVSSYSA-N -1 0 303.340 -0.667 20 0 DBADRM CC[C@@](COC)(NC(=O)CC1SC(=N)NC1=O)C(=O)[O-] ZINC001571080150 1025814852 /nfs/dbraw/zinc/81/48/52/1025814852.db2.gz NAGDFNJSJDZCDJ-KGFZYKRKSA-N -1 0 303.340 -0.461 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001571079846 1025815001 /nfs/dbraw/zinc/81/50/01/1025815001.db2.gz JXLGTDMMYLTSNS-TUAOUCFPSA-N -1 0 303.318 -0.013 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)c1cnc2n1CCCC2 ZINC001571080144 1025815015 /nfs/dbraw/zinc/81/50/15/1025815015.db2.gz MXNVPQIXBMQJOO-QMMMGPOBSA-N -1 0 303.340 -0.667 20 0 DBADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)Cn2nnc(N)n2)c1 ZINC001571084373 1025816569 /nfs/dbraw/zinc/81/65/69/1025816569.db2.gz BEWDBLBFANDDMT-JTQLQIEISA-N -1 0 304.310 -0.104 20 0 DBADRM Cn1ncc(C(=O)N2CCN(C(=O)[O-])CC2)c1-n1cnnc1 ZINC001571084009 1025816740 /nfs/dbraw/zinc/81/67/40/1025816740.db2.gz CPPVNMOEHVYVAG-UHFFFAOYSA-N -1 0 305.298 -0.563 20 0 DBADRM C[C@]1(CC(=O)Nc2cc(C(=O)[O-])no2)CCS(=O)(=O)N1 ZINC001571080855 1025816792 /nfs/dbraw/zinc/81/67/92/1025816792.db2.gz XFNYMJFTDUWIAT-SNVBAGLBSA-N -1 0 303.296 -0.217 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC[C@@]3(CCOC3=O)C2)CC1 ZINC001571080466 1025816916 /nfs/dbraw/zinc/81/69/16/1025816916.db2.gz RMZXCZJBORDPJG-LLVKDONJSA-N -1 0 303.336 -0.180 20 0 DBADRM O=C([O-])c1cc(F)ccc1S(=O)(=O)N[C@@H]1COC[C@H]1O ZINC001571084098 1025817457 /nfs/dbraw/zinc/81/74/57/1025817457.db2.gz DSEHORSTDRMLQV-RKDXNWHRSA-N -1 0 305.283 -0.438 20 0 DBADRM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001571085713 1025819226 /nfs/dbraw/zinc/81/92/26/1025819226.db2.gz CVVNVIBRCVLBBM-QCLAVDOMSA-N -1 0 304.368 -0.316 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1O)NC(=O)CCn1cnnn1 ZINC001571084814 1025819305 /nfs/dbraw/zinc/81/93/05/1025819305.db2.gz OPYNRGUVWYDYRO-JTQLQIEISA-N -1 0 305.294 -0.419 20 0 DBADRM C[C@](CO)(NC(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12)C(=O)[O-] ZINC001571085056 1025819665 /nfs/dbraw/zinc/81/96/65/1025819665.db2.gz KXYJQXHNKDRDFS-TZTCFGBESA-N -1 0 304.302 -0.152 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(Cc2cc3n(n2)CCC3)C1 ZINC001571086030 1025820477 /nfs/dbraw/zinc/82/04/77/1025820477.db2.gz GNQBKSRHSNGYDE-OLZOCXBDSA-N -1 0 304.350 -0.150 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(Cc2cc3n(n2)CCC3)C1 ZINC001571086029 1025820600 /nfs/dbraw/zinc/82/06/00/1025820600.db2.gz GNQBKSRHSNGYDE-CHWSQXEVSA-N -1 0 304.350 -0.150 20 0 DBADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cn1nnc(N)n1)c1ccccc1 ZINC001571085802 1025820956 /nfs/dbraw/zinc/82/09/56/1025820956.db2.gz TYEUWYUYQMWXJC-LDYMZIIASA-N -1 0 304.310 -0.167 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001571086223 1025821064 /nfs/dbraw/zinc/82/10/64/1025821064.db2.gz ICRITTQTQQCJID-ZJUUUORDSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C1CCCC1 ZINC001571086412 1025821363 /nfs/dbraw/zinc/82/13/63/1025821363.db2.gz MVAPGMTYWWEFTB-UWVGGRQHSA-N -1 0 304.368 -0.172 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001571086549 1025821396 /nfs/dbraw/zinc/82/13/96/1025821396.db2.gz RTTMTVYCGOTDTA-VHSXEESVSA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1ccsn1)C(=O)[O-] ZINC001571086762 1025821587 /nfs/dbraw/zinc/82/15/87/1025821587.db2.gz WJEPANWVNKSVMF-OIBJUYFYSA-N -1 0 304.349 -0.239 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C1CCCC1 ZINC001571086411 1025821671 /nfs/dbraw/zinc/82/16/71/1025821671.db2.gz MVAPGMTYWWEFTB-NXEZZACHSA-N -1 0 304.368 -0.172 20 0 DBADRM CS(=O)(=O)C1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1 ZINC001571087690 1025822410 /nfs/dbraw/zinc/82/24/10/1025822410.db2.gz KMIUUAJDIUDZSF-WCBMZHEXSA-N -1 0 305.352 -0.346 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CS1(=O)=O ZINC001571087697 1025822442 /nfs/dbraw/zinc/82/24/42/1025822442.db2.gz KOVWMMZFEJKOGX-JLIMGVALSA-N -1 0 305.352 -0.300 20 0 DBADRM O=C([O-])C1(NC(=O)c2csnn2)CCS(=O)(=O)CC1 ZINC001571088433 1025822461 /nfs/dbraw/zinc/82/24/61/1025822461.db2.gz YOGYPJUAPKZWAC-UHFFFAOYSA-N -1 0 305.337 -0.700 20 0 DBADRM CCn1nnc(C)c1CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC001571087912 1025822497 /nfs/dbraw/zinc/82/24/97/1025822497.db2.gz OZISFWQPFDOWBK-UHFFFAOYSA-N -1 0 305.360 -0.653 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)C[C@@H]1CCCS1(=O)=O ZINC001571088242 1025822511 /nfs/dbraw/zinc/82/25/11/1025822511.db2.gz VMSWERVUVXZRCV-QXEWZRGKSA-N -1 0 305.352 -0.610 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CS1(=O)=O ZINC001571087700 1025822898 /nfs/dbraw/zinc/82/28/98/1025822898.db2.gz KOVWMMZFEJKOGX-RGOKHQFPSA-N -1 0 305.352 -0.300 20 0 DBADRM Cc1c[nH]nc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001571091776 1025824122 /nfs/dbraw/zinc/82/41/22/1025824122.db2.gz JJDYUVGYEHKLMB-ZJUUUORDSA-N -1 0 306.322 -0.277 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCN(C)CC2)[C@@H](C(=O)[O-])C1 ZINC001571092142 1025824333 /nfs/dbraw/zinc/82/43/33/1025824333.db2.gz LXHCCIPQXHAYSX-GHMZBOCLSA-N -1 0 305.400 -0.336 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)[C@H]3CCOC3)CC2)nc1 ZINC001571091953 1025825000 /nfs/dbraw/zinc/82/50/00/1025825000.db2.gz LYJGISYGSPHDQN-JTQLQIEISA-N -1 0 306.322 -0.140 20 0 DBADRM COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001571092095 1025825190 /nfs/dbraw/zinc/82/51/90/1025825190.db2.gz OGZIQCSTXLXQDM-SNVBAGLBSA-N -1 0 306.278 -0.050 20 0 DBADRM CN(C)C(=O)c1c[nH]nc1NC(=O)c1cc(C(=O)[O-])nn1C ZINC001571092340 1025825342 /nfs/dbraw/zinc/82/53/42/1025825342.db2.gz ROWMQYPGRWMBRR-UHFFFAOYSA-N -1 0 306.282 -0.205 20 0 DBADRM CO[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1NC(=O)C1CC1 ZINC001571091593 1025825453 /nfs/dbraw/zinc/82/54/53/1025825453.db2.gz HVEUOTSPGNKDDT-NXEZZACHSA-N -1 0 306.322 -0.095 20 0 DBADRM NC(=O)c1ccccc1CCC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001571092655 1025825738 /nfs/dbraw/zinc/82/57/38/1025825738.db2.gz WZGOSWVNMIXJNW-ZYHUDNBSSA-N -1 0 306.318 -0.236 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)N[C@@H](COC)C(=O)[O-])CCC1 ZINC001571103162 1025834181 /nfs/dbraw/zinc/83/41/81/1025834181.db2.gz XSLKXDXFKDSXIS-QMMMGPOBSA-N -1 0 309.340 -0.509 20 0 DBADRM Cn1ccc(-c2cc(C(=O)N3CC[C@](O)(C(=O)[O-])C3)no2)n1 ZINC001571091594 1025825795 /nfs/dbraw/zinc/82/57/95/1025825795.db2.gz HVMLUNGPYZCLEU-CYBMUJFWSA-N -1 0 306.278 -0.263 20 0 DBADRM C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001571096031 1025826404 /nfs/dbraw/zinc/82/64/04/1025826404.db2.gz GJDXPNLIACPFDJ-UKKRHICBSA-N -1 0 307.368 -0.037 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])s1 ZINC001571093511 1025826412 /nfs/dbraw/zinc/82/64/12/1025826412.db2.gz OTSFGSCBXYVRLZ-HTRCEHHLSA-N -1 0 306.365 -0.585 20 0 DBADRM CNS(=O)(=O)CC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001571093557 1025826790 /nfs/dbraw/zinc/82/67/90/1025826790.db2.gz QOWDBNOGPLBISZ-SNVBAGLBSA-N -1 0 306.384 -0.067 20 0 DBADRM C[N@@H+]1CCN(C(=O)Cc2nnc(C3CC3)[nH]2)C[C@H](C(=O)[O-])C1 ZINC001571095934 1025827113 /nfs/dbraw/zinc/82/71/13/1025827113.db2.gz DULZBSZHSZDUHI-SNVBAGLBSA-N -1 0 307.354 -0.301 20 0 DBADRM O=C([O-])[C@H](CC(F)(F)F)NS(=O)(=O)[C@@H]1COC[C@H]1O ZINC001571095918 1025827360 /nfs/dbraw/zinc/82/73/60/1025827360.db2.gz FQMHQLGCZXWIMH-KVQBGUIXSA-N -1 0 307.246 -0.929 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H]1CCOC[C@H]1O ZINC001571096020 1025827437 /nfs/dbraw/zinc/82/74/37/1025827437.db2.gz GBBIDHYCCYPJKO-ZDCRXTMVSA-N -1 0 307.368 -0.301 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC001571095621 1025827499 /nfs/dbraw/zinc/82/74/99/1025827499.db2.gz ASWPETZAQWYXBS-NSHDSACASA-N -1 0 307.306 -0.507 20 0 DBADRM COCn1ccc(C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])n1 ZINC001571095902 1025827691 /nfs/dbraw/zinc/82/76/91/1025827691.db2.gz FJGWXWPXCXUORK-ZDUSSCGKSA-N -1 0 307.310 -0.043 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@]23CC(=O)N[C@H]2CCCC3)nn1 ZINC001571095911 1025827762 /nfs/dbraw/zinc/82/77/62/1025827762.db2.gz FLTLDCCQGUXPPD-TVQRCGJNSA-N -1 0 307.310 -0.706 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCNC(=O)C1)c1ccc(O)cc1 ZINC001571096379 1025828391 /nfs/dbraw/zinc/82/83/91/1025828391.db2.gz NKFVUGGKEOWSCC-CYBMUJFWSA-N -1 0 307.306 -0.934 20 0 DBADRM Cc1nn(CCS(=O)(=O)N(C)CCCC(=O)[O-])c(=O)o1 ZINC001571096807 1025828532 /nfs/dbraw/zinc/82/85/32/1025828532.db2.gz SSNMQFSXBUHCPF-UHFFFAOYSA-N -1 0 307.328 -0.729 20 0 DBADRM CC(=O)N1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])nn2)C1 ZINC001571096993 1025828548 /nfs/dbraw/zinc/82/85/48/1025828548.db2.gz VICOTFVCEVAQGC-GHMZBOCLSA-N -1 0 307.310 -0.982 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001571097326 1025828816 /nfs/dbraw/zinc/82/88/16/1025828816.db2.gz ZYKNCDJAQLDVTA-HBNTYKKESA-N -1 0 307.306 -0.158 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-])[C@@H](C)S(C)(=O)=O ZINC001571096567 1025828898 /nfs/dbraw/zinc/82/88/98/1025828898.db2.gz NULACWSTHVDSFM-JXUBOQSCSA-N -1 0 307.368 -0.508 20 0 DBADRM Cn1ccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cc1=O ZINC001571096340 1025829168 /nfs/dbraw/zinc/82/91/68/1025829168.db2.gz MGAYYUBJYHJGPE-JTQLQIEISA-N -1 0 307.306 -0.809 20 0 DBADRM CN1C[C@@H](C(=O)N[C@@H](Cc2ccccc2O)C(=O)[O-])NC1=O ZINC001571097311 1025829217 /nfs/dbraw/zinc/82/92/17/1025829217.db2.gz ZIILPOPPOXJCDA-UWVGGRQHSA-N -1 0 307.306 -0.472 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@]2(O)CCSC2)n[nH]1 ZINC001571097398 1025830168 /nfs/dbraw/zinc/83/01/68/1025830168.db2.gz YWQUAWZAWYFFAS-SECBINFHSA-N -1 0 307.353 -0.746 20 0 DBADRM O=C([O-])c1cnc(NC[C@@]23COCCN2C(=O)COC3)cn1 ZINC001571098804 1025830468 /nfs/dbraw/zinc/83/04/68/1025830468.db2.gz ZRYRSOPUJMVNEM-ZDUSSCGKSA-N -1 0 308.294 -0.786 20 0 DBADRM COC[C@H](C)CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001571097391 1025830699 /nfs/dbraw/zinc/83/06/99/1025830699.db2.gz YQZGGWHYBCAGLL-VDDIYKPWSA-N -1 0 307.368 -0.337 20 0 DBADRM COC(=O)c1cc(C(=O)NC2(C(=O)[O-])CC(CO)C2)ccn1 ZINC001571098386 1025830986 /nfs/dbraw/zinc/83/09/86/1025830986.db2.gz RSZVPDSWMUVUMX-UHFFFAOYSA-N -1 0 308.290 -0.176 20 0 DBADRM COC(=O)c1cccn(CC(=O)N[C@H]2CC[C@H]2C(=O)[O-])c1=O ZINC001571097948 1025831018 /nfs/dbraw/zinc/83/10/18/1025831018.db2.gz IPNXLPKSBNOPHI-SCZZXKLOSA-N -1 0 308.290 -0.386 20 0 DBADRM Cn1nc(C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])ccc1=O ZINC001571098763 1025831407 /nfs/dbraw/zinc/83/14/07/1025831407.db2.gz YFPHGEXSUSACOI-VIFPVBQESA-N -1 0 308.319 -0.338 20 0 DBADRM CC[C@](COC)(NC(=O)CNC(=O)c1ccncc1)C(=O)[O-] ZINC001571101014 1025832098 /nfs/dbraw/zinc/83/20/98/1025832098.db2.gz TVCWHCDWCDTKSZ-CQSZACIVSA-N -1 0 309.322 -0.193 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H]1Cc2cncn2C1)C(=O)[O-] ZINC001571101360 1025832151 /nfs/dbraw/zinc/83/21/51/1025832151.db2.gz AGSCPBGVUPHGGA-CIUDSAMLSA-N -1 0 309.326 -0.915 20 0 DBADRM CO[C@@H]1CCN(C(=O)C2=C3CCCN=C3NN2)[C@@H](C(=O)[O-])C1 ZINC001571101560 1025832938 /nfs/dbraw/zinc/83/29/38/1025832938.db2.gz CMYWVXMGTPJZHU-PSASIEDQSA-N -1 0 308.338 -0.369 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1C(=O)[O-] ZINC001571101154 1025833006 /nfs/dbraw/zinc/83/30/06/1025833006.db2.gz VUCWSIAVRLFMJN-YUMQZZPRSA-N -1 0 309.278 -0.941 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNS(=O)(=O)CCCC(=O)[O-] ZINC001571101386 1025833016 /nfs/dbraw/zinc/83/30/16/1025833016.db2.gz ANTRIODDNIDMJB-PSASIEDQSA-N -1 0 309.340 -0.651 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)c2cn3c(n2)COCC3)CC1 ZINC001571101752 1025833025 /nfs/dbraw/zinc/83/30/25/1025833025.db2.gz GTEKEESMKHPVOQ-LBPRGKRZSA-N -1 0 309.322 -0.289 20 0 DBADRM C[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1C(=O)[O-] ZINC001571103108 1025833673 /nfs/dbraw/zinc/83/36/73/1025833673.db2.gz WOULMSKNASVZSX-DTWKUNHWSA-N -1 0 309.322 -0.733 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001571103487 1025833813 /nfs/dbraw/zinc/83/38/13/1025833813.db2.gz XBLFODZRTOCGJV-UHFFFAOYSA-N -1 0 308.337 -0.897 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)NC[C@H]2CNC(=O)C2)n1C ZINC001571103185 1025833838 /nfs/dbraw/zinc/83/38/38/1025833838.db2.gz SXCUCVZHYWDWLY-SECBINFHSA-N -1 0 308.338 -0.033 20 0 DBADRM Cc1nnc(CNC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)[nH]1 ZINC001571102353 1025834025 /nfs/dbraw/zinc/83/40/25/1025834025.db2.gz NJORCMVVTZOBEO-TVQRCGJNSA-N -1 0 309.326 -0.254 20 0 DBADRM COCC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)[C@@H](C)C1 ZINC001571102894 1025834454 /nfs/dbraw/zinc/83/44/54/1025834454.db2.gz QRVCEVVOGSTYIA-VHSXEESVSA-N -1 0 308.338 -0.108 20 0 DBADRM CCc1c(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cnn1CC ZINC001571103457 1025834536 /nfs/dbraw/zinc/83/45/36/1025834536.db2.gz VXTYKFJVSKQXQB-LLVKDONJSA-N -1 0 308.338 -0.167 20 0 DBADRM CC(C)C(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001571102146 1025834613 /nfs/dbraw/zinc/83/46/13/1025834613.db2.gz KENBUBRFVLCRNQ-VHSXEESVSA-N -1 0 308.338 -0.113 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)CN1CC[C@H](O)[C@H](CO)C1 ZINC001571103290 1025835209 /nfs/dbraw/zinc/83/52/09/1025835209.db2.gz VHZANVNGHYCFAQ-GWCFXTLKSA-N -1 0 308.334 -0.002 20 0 DBADRM CC[C@@](COC)(NC(=O)CCS(=O)(=O)N(C)C)C(=O)[O-] ZINC001571105909 1025836083 /nfs/dbraw/zinc/83/60/83/1025836083.db2.gz FBXWXXZCOYYMLH-NSHDSACASA-N -1 0 310.372 -0.736 20 0 DBADRM COC(=O)COCC(=O)NC[C@H](Cc1ccncc1)C(=O)[O-] ZINC001571106153 1025836528 /nfs/dbraw/zinc/83/65/28/1025836528.db2.gz GCUFSPSUVYZSLU-NSHDSACASA-N -1 0 310.306 -0.369 20 0 DBADRM COCc1cc(NC(=O)CCNC(=O)CO)cc(C(=O)[O-])c1 ZINC001571106343 1025836734 /nfs/dbraw/zinc/83/67/34/1025836734.db2.gz KDLWDCWHOBNONG-UHFFFAOYSA-N -1 0 310.306 -0.032 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NC1(C(=O)[O-])CCOCC1 ZINC001571107448 1025837518 /nfs/dbraw/zinc/83/75/18/1025837518.db2.gz AGXKKBTZXZRATG-UHFFFAOYSA-N -1 0 311.294 -0.511 20 0 DBADRM O=C(CN1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1)NC1CC1 ZINC001571107392 1025837673 /nfs/dbraw/zinc/83/76/73/1025837673.db2.gz YQCXJNRPGMEZSP-RYUDHWBXSA-N -1 0 309.366 -0.480 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1Cc1oncc1C(=O)[O-] ZINC001571108508 1025837905 /nfs/dbraw/zinc/83/79/05/1025837905.db2.gz UMTOOICKJNYQTJ-SECBINFHSA-N -1 0 311.294 -0.374 20 0 DBADRM O=C(CN1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1)NC1CC1 ZINC001571107394 1025838436 /nfs/dbraw/zinc/83/84/36/1025838436.db2.gz YQCXJNRPGMEZSP-VXGBXAGGSA-N -1 0 309.366 -0.480 20 0 DBADRM COc1c(F)cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1F ZINC001571108195 1025838700 /nfs/dbraw/zinc/83/87/00/1025838700.db2.gz MJSQEMACVAHRQJ-MRVPVSSYSA-N -1 0 311.262 -0.303 20 0 DBADRM O=C(CN1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1)NC1CC1 ZINC001571107390 1025838731 /nfs/dbraw/zinc/83/87/31/1025838731.db2.gz YQCXJNRPGMEZSP-NWDGAFQWSA-N -1 0 309.366 -0.480 20 0 DBADRM CCOC(=O)N1C[C@H](CO)[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001571107094 1025838825 /nfs/dbraw/zinc/83/88/25/1025838825.db2.gz ZGDHQIFRNWFXHX-RKDXNWHRSA-N -1 0 310.310 -0.542 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)C1 ZINC001571106831 1025838836 /nfs/dbraw/zinc/83/88/36/1025838836.db2.gz WKAYLVIGOXQBPS-GIPNMCIBSA-N -1 0 310.310 -0.710 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1Cc1oncc1C(=O)[O-] ZINC001571108509 1025838846 /nfs/dbraw/zinc/83/88/46/1025838846.db2.gz UMTOOICKJNYQTJ-VIFPVBQESA-N -1 0 311.294 -0.374 20 0 DBADRM Cn1cc(NC(=O)NC[C@@]2(C(=O)[O-])CCOC2)c(C(N)=O)n1 ZINC001571111836 1025839876 /nfs/dbraw/zinc/83/98/76/1025839876.db2.gz SQGSBRMHXUWAJR-LBPRGKRZSA-N -1 0 311.298 -0.868 20 0 DBADRM Cc1cncc(CCNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)n1 ZINC001571111317 1025840021 /nfs/dbraw/zinc/84/00/21/1025840021.db2.gz JUWRNHVNVRKDMQ-UHFFFAOYSA-N -1 0 311.323 -0.273 20 0 DBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1c[nH]c2ncncc12 ZINC001571111874 1025840028 /nfs/dbraw/zinc/84/00/28/1025840028.db2.gz FLGPXGBYVCMPOP-QMMMGPOBSA-N -1 0 312.307 -0.616 20 0 DBADRM CC(=O)N[C@@H](CSCc1nnc2c(=O)[nH]ccn12)C(=O)[O-] ZINC001571111448 1025840160 /nfs/dbraw/zinc/84/01/60/1025840160.db2.gz LHQQJIDGOMRYOT-ZETCQYMHSA-N -1 0 311.323 -0.760 20 0 DBADRM Cn1cnnc1COCC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001571111943 1025840266 /nfs/dbraw/zinc/84/02/66/1025840266.db2.gz HWJDGQQJLWRDPQ-LBPRGKRZSA-N -1 0 312.326 -0.984 20 0 DBADRM CC(C)(O)[C@H](O)C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC001571111301 1025840444 /nfs/dbraw/zinc/84/04/44/1025840444.db2.gz JINDVLUZKUNALP-CMPLNLGQSA-N -1 0 311.334 -0.117 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001571111996 1025840567 /nfs/dbraw/zinc/84/05/67/1025840567.db2.gz VHHCMPDBFYDBDX-OUAUKWLOSA-N -1 0 311.338 -0.907 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2nnc(C)[nH]2)C[C@@H]1C(=O)[O-] ZINC001571110929 1025840663 /nfs/dbraw/zinc/84/06/63/1025840663.db2.gz AEIKOHAZCZDMEA-YUMQZZPRSA-N -1 0 311.298 -0.872 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CC[N@@H+]1CCC(=O)[O-] ZINC001571115430 1025841888 /nfs/dbraw/zinc/84/18/88/1025841888.db2.gz JYMMIQPEWZGEND-MNOVXSKESA-N -1 0 312.370 -0.463 20 0 DBADRM C[C@H]1CN(C(=O)CCc2nc(N(C)C)no2)C[C@@H](C(=O)[O-])O1 ZINC001571112117 1025841896 /nfs/dbraw/zinc/84/18/96/1025841896.db2.gz JCLBZYFOVZZRGO-IUCAKERBSA-N -1 0 312.326 -0.231 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cn1 ZINC001571112999 1025841940 /nfs/dbraw/zinc/84/19/40/1025841940.db2.gz VGWSXKSEZAXDAV-DVVUODLYSA-N -1 0 312.326 -0.758 20 0 DBADRM CN(C)C(=O)NCCN(C)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001571113332 1025841949 /nfs/dbraw/zinc/84/19/49/1025841949.db2.gz ZNYKAQIGZGGQQD-UHFFFAOYSA-N -1 0 312.330 -0.147 20 0 DBADRM COC(=O)c1cc(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)on1 ZINC001571112975 1025842073 /nfs/dbraw/zinc/84/20/73/1025842073.db2.gz URZMHEULIDLWGJ-JGVFFNPUSA-N -1 0 312.278 -0.072 20 0 DBADRM C[C@H](O)CN(CC(F)F)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571118599 1025843507 /nfs/dbraw/zinc/84/35/07/1025843507.db2.gz HOMAPLUEHUODNA-YFKPBYRVSA-N -1 0 313.282 -0.256 20 0 DBADRM CC[C@](COC)(NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)C(=O)[O-] ZINC001571118222 1025844062 /nfs/dbraw/zinc/84/40/62/1025844062.db2.gz AKIGILLCSJXEKI-CYBMUJFWSA-N -1 0 313.310 -0.265 20 0 DBADRM COc1cc(CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc(OC)c1O ZINC001571118300 1025844261 /nfs/dbraw/zinc/84/42/61/1025844261.db2.gz DAPQVVYMGHZUSA-KRTXAFLBSA-N -1 0 313.306 -0.098 20 0 DBADRM CCS(=O)(=O)c1ccccc1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001571118948 1025844789 /nfs/dbraw/zinc/84/47/89/1025844789.db2.gz NMJYFBYSJIOKNO-UHFFFAOYSA-N -1 0 313.331 -0.248 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1ccc(O)cn1)C(=O)[O-] ZINC001571119800 1025844953 /nfs/dbraw/zinc/84/49/53/1025844953.db2.gz MLQHKBVBUCILPM-JOYOIKCWSA-N -1 0 314.319 -0.595 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001571119236 1025845672 /nfs/dbraw/zinc/84/56/72/1025845672.db2.gz ZOKXSRCUUHJHKI-SCZZXKLOSA-N -1 0 313.335 -0.530 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN3C(=O)CC[C@H]3C2)n[nH]1 ZINC001571120271 1025845817 /nfs/dbraw/zinc/84/58/17/1025845817.db2.gz RNLABDWAPYBGFO-ZETCQYMHSA-N -1 0 314.323 -0.897 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1c[nH]c2ncncc12)C(=O)[O-] ZINC001571120340 1025846223 /nfs/dbraw/zinc/84/62/23/1025846223.db2.gz VHSKHGSCYFYMGW-LLVKDONJSA-N -1 0 314.323 -0.323 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCC2(O)CCC2)C[C@H]1C(=O)[O-] ZINC001571122612 1025847047 /nfs/dbraw/zinc/84/70/47/1025847047.db2.gz HXOZGIIKGPBJES-ZJUUUORDSA-N -1 0 314.338 -0.193 20 0 DBADRM CCOC(=O)N1CCC[C@H](C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)C1 ZINC001571123003 1025847302 /nfs/dbraw/zinc/84/73/02/1025847302.db2.gz KMRYUGVILIPVRZ-PKFCDNJMSA-N -1 0 314.338 -0.051 20 0 DBADRM CC(C)(O)[C@H](O)C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC001571122898 1025848081 /nfs/dbraw/zinc/84/80/81/1025848081.db2.gz JREQTXCEXWCVPW-WDEREUQCSA-N -1 0 315.297 -0.094 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)C1(N2CCOCC2)CC1 ZINC001571122901 1025848128 /nfs/dbraw/zinc/84/81/28/1025848128.db2.gz JCZTUGKNKYXEJR-JTQLQIEISA-N -1 0 314.338 -0.816 20 0 DBADRM O=C([O-])[C@@H](F)CNS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC001571123563 1025848215 /nfs/dbraw/zinc/84/82/15/1025848215.db2.gz RIXZIHIASQEAKJ-VIFPVBQESA-N -1 0 315.286 -0.637 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001571126544 1025849199 /nfs/dbraw/zinc/84/91/99/1025849199.db2.gz UFKRRNGOBZMFOD-KWQFWETISA-N -1 0 316.260 -0.056 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21)S(C)(=O)=O ZINC001571125143 1025849499 /nfs/dbraw/zinc/84/94/99/1025849499.db2.gz DDBRTCXOIWNNAM-HTQZYQBOSA-N -1 0 315.351 -0.035 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)C[C@@H](C(=O)[O-])O1 ZINC001571131186 1025851632 /nfs/dbraw/zinc/85/16/32/1025851632.db2.gz WENBFPSWYYLTHT-KOLCDFICSA-N -1 0 317.305 -0.024 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001571128757 1025851740 /nfs/dbraw/zinc/85/17/40/1025851740.db2.gz QXGJIMOODFZACV-MRVPVSSYSA-N -1 0 316.335 -0.144 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001571131066 1025852008 /nfs/dbraw/zinc/85/20/08/1025852008.db2.gz QTNMWETVNWNZEI-CQSZACIVSA-N -1 0 317.305 -0.368 20 0 DBADRM Cn1cnc(C(=O)N2CCN(c3ncc(C(=O)[O-])cn3)CC2)n1 ZINC001571132546 1025852953 /nfs/dbraw/zinc/85/29/53/1025852953.db2.gz CTBODSYQKKHYKO-UHFFFAOYSA-N -1 0 317.309 -0.734 20 0 DBADRM CS(=O)(=O)CC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001571131427 1025853344 /nfs/dbraw/zinc/85/33/44/1025853344.db2.gz GGYDAIUYRWLZTA-UHFFFAOYSA-N -1 0 316.339 -0.816 20 0 DBADRM COC(=O)N(C)CCN(C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571132466 1025853844 /nfs/dbraw/zinc/85/38/44/1025853844.db2.gz BAANPDSIUJSTIU-NXEZZACHSA-N -1 0 317.342 -0.184 20 0 DBADRM COC(=O)[C@@](C)(CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001571133375 1025854689 /nfs/dbraw/zinc/85/46/89/1025854689.db2.gz PLEMXDRFISMZOI-GFCCVEGCSA-N -1 0 317.319 -0.413 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001571133102 1025855075 /nfs/dbraw/zinc/85/50/75/1025855075.db2.gz KKTUYVVRIVDHBS-DCAQKATOSA-N -1 0 317.338 -0.097 20 0 DBADRM COC(=O)[C@](C)(CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001571133376 1025855105 /nfs/dbraw/zinc/85/51/05/1025855105.db2.gz PLEMXDRFISMZOI-LBPRGKRZSA-N -1 0 317.319 -0.413 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001571133064 1025855256 /nfs/dbraw/zinc/85/52/56/1025855256.db2.gz HAARKRPKVBSMJC-LPEHRKFASA-N -1 0 317.363 -0.440 20 0 DBADRM CS(=O)(=O)Cc1nnc(C[NH2+]C2CCN(C(=O)[O-])CC2)[n-]1 ZINC001571133231 1025855478 /nfs/dbraw/zinc/85/54/78/1025855478.db2.gz KFWSBFHFHKQLFF-UHFFFAOYSA-N -1 0 317.371 -0.419 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)n[nH]1 ZINC001571133036 1025855905 /nfs/dbraw/zinc/85/59/05/1025855905.db2.gz IUQGQVFHWUNAJR-SSDOTTSWSA-N -1 0 317.323 -0.272 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)CCc2ocnc2C(=O)[O-])C1 ZINC001571133808 1025856355 /nfs/dbraw/zinc/85/63/55/1025856355.db2.gz XMTUJVQBOPDRMH-ZETCQYMHSA-N -1 0 317.323 -0.805 20 0 DBADRM C[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@@H](C(=O)[O-])O1 ZINC001571133713 1025856668 /nfs/dbraw/zinc/85/66/68/1025856668.db2.gz VXPGQURKVJWRLR-APPZFPTMSA-N -1 0 317.319 -0.003 20 0 DBADRM CN1CCN(S(=O)(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1 ZINC001571138258 1025856868 /nfs/dbraw/zinc/85/68/68/1025856868.db2.gz UGNSXTYZPRAWJL-LLVKDONJSA-N -1 0 317.411 -0.335 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1ccc2n[nH]nc2c1 ZINC001571133789 1025857119 /nfs/dbraw/zinc/85/71/19/1025857119.db2.gz XFWOEJNOPFYYAS-LLVKDONJSA-N -1 0 317.305 -0.237 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001571137173 1025857431 /nfs/dbraw/zinc/85/74/31/1025857431.db2.gz AALQNJJNFLGKMR-JTQLQIEISA-N -1 0 318.395 -0.019 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001571138268 1025857502 /nfs/dbraw/zinc/85/75/02/1025857502.db2.gz UYLRQYNWCWSDIN-SECBINFHSA-N -1 0 318.293 -0.125 20 0 DBADRM O=C([O-])c1nccc(N2C[C@@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)n1 ZINC001571133566 1025857521 /nfs/dbraw/zinc/85/75/21/1025857521.db2.gz TZKZVBAEXWXMGR-ZJUUUORDSA-N -1 0 317.305 -0.518 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2C[C@@H](NC(=O)Cc3ccon3)C2)n1 ZINC001571133730 1025857783 /nfs/dbraw/zinc/85/77/83/1025857783.db2.gz WOPNEYJVOCPJRJ-MGCOHNPYSA-N -1 0 317.305 -0.114 20 0 DBADRM Cc1nn(-c2ccccn2)c(C)c1CC(=O)N[C@H](CO)C(=O)[O-] ZINC001571140145 1025858898 /nfs/dbraw/zinc/85/88/98/1025858898.db2.gz QAOGIUKNAKAWJS-GFCCVEGCSA-N -1 0 318.333 -0.012 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NC[C@@H](CO)Cc2cccnc2)n1 ZINC001571138671 1025859467 /nfs/dbraw/zinc/85/94/67/1025859467.db2.gz DPUHRVZFUDMTGF-LBPRGKRZSA-N -1 0 318.333 -0.056 20 0 DBADRM Cc1ocnc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001571142952 1025860312 /nfs/dbraw/zinc/86/03/12/1025860312.db2.gz FICGQDZVAZREKD-KUNJHIDRSA-N -1 0 319.317 -0.110 20 0 DBADRM Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001571140935 1025860885 /nfs/dbraw/zinc/86/08/85/1025860885.db2.gz VRLYYENWHFCQOB-NAKRPEOUSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1nc(CS(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)no1 ZINC001571142930 1025860965 /nfs/dbraw/zinc/86/09/65/1025860965.db2.gz DWPJCSKOGAQAMO-JTQLQIEISA-N -1 0 319.339 -0.635 20 0 DBADRM Cc1ocnc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C[C@H]21 ZINC001571143071 1025861259 /nfs/dbraw/zinc/86/12/59/1025861259.db2.gz KEVFBOIICGVASB-KUNJHIDRSA-N -1 0 319.317 -0.110 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NS(=O)(=O)CCN2CCOC2=O)[C@H]2C[C@H]21 ZINC001571141448 1025861293 /nfs/dbraw/zinc/86/12/93/1025861293.db2.gz WZZNHKOGJWJWIV-RGOKHQFPSA-N -1 0 318.351 -0.533 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@@H]1CCc2nncn2CC1)C(=O)[O-] ZINC001571140949 1025861365 /nfs/dbraw/zinc/86/13/65/1025861365.db2.gz VXCMJVTUUOYRRM-BXKDBHETSA-N -1 0 318.337 -0.094 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001571142901 1025861421 /nfs/dbraw/zinc/86/14/21/1025861421.db2.gz CRLSITQCPUGZQI-VZJNWSLWSA-N -1 0 319.317 -0.206 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[C@@H]4C(=O)[O-])C[C@H]32)no1 ZINC001571142868 1025861550 /nfs/dbraw/zinc/86/15/50/1025861550.db2.gz BPDPVQOWKIWNTR-OFKSJOQMSA-N -1 0 319.317 -0.110 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001571144456 1025862626 /nfs/dbraw/zinc/86/26/26/1025862626.db2.gz NBPLUZQEYFMFET-MGCOHNPYSA-N -1 0 319.383 -0.440 20 0 DBADRM Cc1nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@@H]2C(=O)[O-])co1 ZINC001571143126 1025863193 /nfs/dbraw/zinc/86/31/93/1025863193.db2.gz MAFBUTYPZSFUJA-OFKSJOQMSA-N -1 0 319.317 -0.110 20 0 DBADRM COc1cccc([C@H](O)C(=O)N[C@H](Cn2cncn2)C(=O)[O-])c1 ZINC001571145580 1025864199 /nfs/dbraw/zinc/86/41/99/1025864199.db2.gz CQKTVKFCLKZJMJ-NEPJUHHUSA-N -1 0 320.305 -0.410 20 0 DBADRM CS(=O)(=O)[C@@H]1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001571144693 1025864556 /nfs/dbraw/zinc/86/45/56/1025864556.db2.gz TVTUKOXSDMTSEA-HBNTYKKESA-N -1 0 319.379 -0.098 20 0 DBADRM Cn1cc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001571145656 1025864586 /nfs/dbraw/zinc/86/45/86/1025864586.db2.gz FTISUMRLEPFRED-DDHJBXDOSA-N -1 0 320.349 -0.553 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001571145635 1025864806 /nfs/dbraw/zinc/86/48/06/1025864806.db2.gz FEPGYLYOYDNPCN-MRTMQBJTSA-N -1 0 320.342 -0.788 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001571145384 1025865604 /nfs/dbraw/zinc/86/56/04/1025865604.db2.gz VHVTYNQYPMMUDI-IZJRFANQSA-N -1 0 320.292 -0.656 20 0 DBADRM COc1ccccc1[C@H](O)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001571145730 1025865895 /nfs/dbraw/zinc/86/58/95/1025865895.db2.gz IFWWFVJKZNOBOL-LBPRGKRZSA-N -1 0 320.305 -0.165 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001571146122 1025865932 /nfs/dbraw/zinc/86/59/32/1025865932.db2.gz ROWLEYPSELEJFM-RBLKWDMZSA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)C1(c2ccc3c(c2)OCO3)CC1 ZINC001571145851 1025866013 /nfs/dbraw/zinc/86/60/13/1025866013.db2.gz MAWRZEJLHUTHJC-UHFFFAOYSA-N -1 0 320.301 -0.236 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001571146200 1025866132 /nfs/dbraw/zinc/86/61/32/1025866132.db2.gz TXRBNBGRSJOPOA-LDYMZIIASA-N -1 0 320.305 -0.273 20 0 DBADRM COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)[O-] ZINC001571145995 1025866945 /nfs/dbraw/zinc/86/69/45/1025866945.db2.gz QEEIXKSQKDAGCO-RKDXNWHRSA-N -1 0 320.342 -0.522 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)Cn2cccn2)CC1 ZINC001571149077 1025868606 /nfs/dbraw/zinc/86/86/06/1025868606.db2.gz LGZZOROBSCGUNN-VXGBXAGGSA-N -1 0 320.349 -0.289 20 0 DBADRM NC(=O)c1ncn(CC(=O)N(CC(=O)[O-])c2cccc(F)c2)n1 ZINC001571149786 1025868771 /nfs/dbraw/zinc/86/87/71/1025868771.db2.gz LCAYNRBURPLOTF-UHFFFAOYSA-N -1 0 321.268 -0.366 20 0 DBADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1)C1CC1 ZINC001571149407 1025868948 /nfs/dbraw/zinc/86/89/48/1025868948.db2.gz XBDGAOJRBZMMEO-SRVKXCTJSA-N -1 0 320.349 -0.214 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)Cn2cccn2)CC1 ZINC001571149076 1025869608 /nfs/dbraw/zinc/86/96/08/1025869608.db2.gz LGZZOROBSCGUNN-RYUDHWBXSA-N -1 0 320.349 -0.289 20 0 DBADRM CN(C(=O)c1cn[nH]n1)C1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001571150907 1025870032 /nfs/dbraw/zinc/87/00/32/1025870032.db2.gz NWRAYUCCCKDQMT-UWVGGRQHSA-N -1 0 321.337 -0.412 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001571151158 1025870312 /nfs/dbraw/zinc/87/03/12/1025870312.db2.gz ROLFRLQHUSCGAD-KYXWUPHJSA-N -1 0 321.337 -0.840 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001571150997 1025870444 /nfs/dbraw/zinc/87/04/44/1025870444.db2.gz QGCMFJPDSCEKFZ-JXUBOQSCSA-N -1 0 321.337 -0.542 20 0 DBADRM Cn1nncc1C(=O)N1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571150947 1025871190 /nfs/dbraw/zinc/87/11/90/1025871190.db2.gz PCZGOMADJIRHKB-VHSXEESVSA-N -1 0 321.337 -0.790 20 0 DBADRM CN(C(=O)c1cn[nH]n1)C1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571150908 1025871230 /nfs/dbraw/zinc/87/12/30/1025871230.db2.gz NWRAYUCCCKDQMT-VHSXEESVSA-N -1 0 321.337 -0.412 20 0 DBADRM CN(C(=O)c1nc[nH]n1)C1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001571150216 1025871240 /nfs/dbraw/zinc/87/12/40/1025871240.db2.gz ASKVGJOKBSCKJO-UWVGGRQHSA-N -1 0 321.337 -0.412 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)Cn2cncn2)C1 ZINC001571150382 1025871249 /nfs/dbraw/zinc/87/12/49/1025871249.db2.gz HRBCHNKLLOKTRJ-XWLWVQCSSA-N -1 0 321.337 -0.990 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001571151006 1025871259 /nfs/dbraw/zinc/87/12/59/1025871259.db2.gz QGCMFJPDSCEKFZ-XKNYDFJKSA-N -1 0 321.337 -0.542 20 0 DBADRM Cn1nncc1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001571150787 1025871279 /nfs/dbraw/zinc/87/12/79/1025871279.db2.gz NJXBEWNBTUGIQZ-RGOKHQFPSA-N -1 0 321.337 -0.840 20 0 DBADRM Cc1c(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nnn1C ZINC001571150748 1025871319 /nfs/dbraw/zinc/87/13/19/1025871319.db2.gz MACWFYBSOXEAKC-VHSXEESVSA-N -1 0 321.337 -0.871 20 0 DBADRM CCOC(=O)[C@H]1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001571150208 1025871329 /nfs/dbraw/zinc/87/13/29/1025871329.db2.gz AKGOFDUEUWGDJQ-KXUCPTDWSA-N -1 0 321.351 -0.557 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCc2ccon2)CC1 ZINC001571150574 1025871415 /nfs/dbraw/zinc/87/14/15/1025871415.db2.gz JXJTVKSHVFSBDG-NWDGAFQWSA-N -1 0 321.333 -0.001 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001571153163 1025871922 /nfs/dbraw/zinc/87/19/22/1025871922.db2.gz LFIVITGNXQRIOZ-ZYHUDNBSSA-N -1 0 322.317 -0.399 20 0 DBADRM Cn1cnc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001571151533 1025872195 /nfs/dbraw/zinc/87/21/95/1025872195.db2.gz ZOOCPVRUGWWLSN-XKNYDFJKSA-N -1 0 321.337 -0.840 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001571153433 1025872248 /nfs/dbraw/zinc/87/22/48/1025872248.db2.gz NNAOIGPBJKJNDJ-AATLWQCWSA-N -1 0 322.321 -0.595 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001571153434 1025872479 /nfs/dbraw/zinc/87/24/79/1025872479.db2.gz NNAOIGPBJKJNDJ-JXUBOQSCSA-N -1 0 322.321 -0.595 20 0 DBADRM C[C@@H](O)[C@@H](O)CNC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001571152756 1025872807 /nfs/dbraw/zinc/87/28/07/1025872807.db2.gz FBJMGFMDNIPVOA-PELKAZGASA-N -1 0 322.321 -0.016 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001571153435 1025872889 /nfs/dbraw/zinc/87/28/89/1025872889.db2.gz NNAOIGPBJKJNDJ-KYXWUPHJSA-N -1 0 322.321 -0.595 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571151268 1025872968 /nfs/dbraw/zinc/87/29/68/1025872968.db2.gz UQHUCTBZHDMZHN-NXEZZACHSA-N -1 0 321.337 -0.492 20 0 DBADRM CN1CCN(C(=O)CNC(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001571151185 1025872981 /nfs/dbraw/zinc/87/29/81/1025872981.db2.gz RXKMJQWTRRKUCR-UHFFFAOYSA-N -1 0 321.337 -0.325 20 0 DBADRM COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C(=O)[O-] ZINC001571152398 1025873108 /nfs/dbraw/zinc/87/31/08/1025873108.db2.gz AMOHQGHBRAYKBM-OPRDCNLKSA-N -1 0 322.321 -0.391 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)N[C@@]3(CC(=O)[O-])CCOC3)C2)cn1 ZINC001571153748 1025873993 /nfs/dbraw/zinc/87/39/93/1025873993.db2.gz QMEFLRMUYAVNTC-BXUZGUMPSA-N -1 0 322.321 -0.337 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(CC(=O)Nc2ccon2)C1 ZINC001571154080 1025874406 /nfs/dbraw/zinc/87/44/06/1025874406.db2.gz UKKCYASCMCTHJO-NXEZZACHSA-N -1 0 322.321 -0.618 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1cccc2c1OCC(=O)N2 ZINC001571154356 1025874799 /nfs/dbraw/zinc/87/47/99/1025874799.db2.gz WRZNCOCPMCWRKW-UHFFFAOYSA-N -1 0 322.277 -0.660 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C[C@H](O)C1(O)CCCC1 ZINC001571153879 1025875003 /nfs/dbraw/zinc/87/50/03/1025875003.db2.gz GBOIGCOTCBFVQX-QWRGUYRKSA-N -1 0 321.395 -0.774 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)N[C@]3(CC(=O)[O-])CCOC3)C2)cn1 ZINC001571153750 1025875026 /nfs/dbraw/zinc/87/50/26/1025875026.db2.gz QMEFLRMUYAVNTC-RISCZKNCSA-N -1 0 322.321 -0.337 20 0 DBADRM C[C@](O)(C(=O)N[C@H](Cn1cncn1)C(=O)[O-])c1ccc(F)cc1 ZINC001571154351 1025875233 /nfs/dbraw/zinc/87/52/33/1025875233.db2.gz WQNFINYRSSPWDZ-BXUZGUMPSA-N -1 0 322.296 -0.106 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001571156453 1025875819 /nfs/dbraw/zinc/87/58/19/1025875819.db2.gz WDORXAWTFSZBLV-VHSXEESVSA-N -1 0 322.383 -0.594 20 0 DBADRM COC(=O)[C@H](CNS(=O)(=O)CCCC(=O)[O-])[C@H]1CCOC1 ZINC001571157708 1025876088 /nfs/dbraw/zinc/87/60/88/1025876088.db2.gz APEAQOJPXFYNOL-VHSXEESVSA-N -1 0 323.367 -0.404 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCS(=O)(=O)C2CC2)c[nH]1 ZINC001571156158 1025876135 /nfs/dbraw/zinc/87/61/35/1025876135.db2.gz LXKUNBMWYFDGIC-UHFFFAOYSA-N -1 0 322.364 -0.432 20 0 DBADRM NC(=O)N1CCCN(C(=O)CCCn2ccc(C(=O)[O-])n2)CC1 ZINC001571158000 1025876657 /nfs/dbraw/zinc/87/66/57/1025876657.db2.gz FEEDDEIZJHIRRO-UHFFFAOYSA-N -1 0 323.353 -0.026 20 0 DBADRM COC(=O)[C@@](C)(CCF)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571159980 1025878100 /nfs/dbraw/zinc/87/81/00/1025878100.db2.gz RRENBZFHWDRWHL-SNVBAGLBSA-N -1 0 323.302 -0.323 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001571159197 1025878116 /nfs/dbraw/zinc/87/81/16/1025878116.db2.gz BSQFTHWUQAOILI-JTQLQIEISA-N -1 0 323.305 -0.393 20 0 DBADRM O=C([O-])CC1CC(NC(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC001571158812 1025879131 /nfs/dbraw/zinc/87/91/31/1025879131.db2.gz ULXHSNMVQQQPIC-UHFFFAOYSA-N -1 0 323.353 -0.062 20 0 DBADRM C[C@]1(NC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CCOC1=O ZINC001571159386 1025879202 /nfs/dbraw/zinc/87/92/02/1025879202.db2.gz GRLUGFIOHAAZDW-SDBXPKJASA-N -1 0 323.309 -0.362 20 0 DBADRM O=C([O-])Cc1occc1C(=O)N1CCC(C(=O)NCCO)CC1 ZINC001571163035 1025879909 /nfs/dbraw/zinc/87/99/09/1025879909.db2.gz DFUZIMSJBKDUOA-UHFFFAOYSA-N -1 0 324.333 -0.133 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001571162993 1025880396 /nfs/dbraw/zinc/88/03/96/1025880396.db2.gz BIFLMYCAFDZYGY-VHSXEESVSA-N -1 0 324.337 -0.885 20 0 DBADRM C[C@@]1(CNC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CCC(=O)N1 ZINC001571163168 1025880617 /nfs/dbraw/zinc/88/06/17/1025880617.db2.gz FJENWOSXJMKALE-UONOGXRCSA-N -1 0 324.337 -0.330 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])ccn1 ZINC001571163043 1025880741 /nfs/dbraw/zinc/88/07/41/1025880741.db2.gz DLAQIEUCNQLPLG-VIFPVBQESA-N -1 0 324.289 -0.186 20 0 DBADRM CC(C)(C)[C@H](O)C[C@@H](CO)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001571161697 1025881028 /nfs/dbraw/zinc/88/10/28/1025881028.db2.gz WXFVMJXFLOFHGH-UKKRHICBSA-N -1 0 323.411 -0.073 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N[C@H](CC1OCCO1)C(=O)[O-])CC2 ZINC001571162968 1025881146 /nfs/dbraw/zinc/88/11/46/1025881146.db2.gz AIRKGARXCPZNAJ-WCBMZHEXSA-N -1 0 324.337 -0.748 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCc3nnnn3CC2)C1 ZINC001571166682 1025881505 /nfs/dbraw/zinc/88/15/05/1025881505.db2.gz ZDIQIFNCTHUFHH-ZANVPECISA-N -1 0 324.341 -0.737 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2cnsn2)CC1 ZINC001571165366 1025883036 /nfs/dbraw/zinc/88/30/36/1025883036.db2.gz MGIFUAJDKMLTEP-RKDXNWHRSA-N -1 0 324.362 -0.020 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)CCCN(C)C(=O)CNC(=O)[O-] ZINC001573403989 1026565295 /nfs/dbraw/zinc/56/52/95/1026565295.db2.gz WZDUFRSVZNTDMP-UHFFFAOYSA-N -1 0 316.358 -0.961 20 0 DBADRM CC(=O)N[C@](C)(C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(C)C ZINC001573371202 1026558963 /nfs/dbraw/zinc/55/89/63/1026558963.db2.gz RSJDGEWUKSCDIO-NUPCCRGMSA-N -1 0 315.370 -0.369 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)c2ccnc3c(C(=O)[O-])cnn32)C1 ZINC001573371576 1026559008 /nfs/dbraw/zinc/55/90/08/1026559008.db2.gz WTXZRYPOCMKUOY-SECBINFHSA-N -1 0 317.305 -0.222 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])C1 ZINC001573389581 1026560639 /nfs/dbraw/zinc/56/06/39/1026560639.db2.gz CDEXTFJCQZDNCK-LKFCYVNXSA-N -1 0 316.354 -0.788 20 0 DBADRM CC(=O)CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)CNC(=O)[O-])C1 ZINC001573398814 1026560769 /nfs/dbraw/zinc/56/07/69/1026560769.db2.gz DORIQEHMIOJDNY-MWLCHTKSSA-N -1 0 313.354 -0.024 20 0 DBADRM CC(=O)c1cncc(C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC001573398275 1026561562 /nfs/dbraw/zinc/56/15/62/1026561562.db2.gz ZHQZEMLBSBNIBC-HTQZYQBOSA-N -1 0 307.306 -0.008 20 0 DBADRM C[C@H](C(=O)[O-])C1CN(C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)C1 ZINC001573398361 1026561667 /nfs/dbraw/zinc/56/16/67/1026561667.db2.gz DVHFKVIBANONDX-OPSLPJIFSA-N -1 0 309.318 -0.114 20 0 DBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccncc1)[C@@H]1CCC(=O)N1 ZINC001573400310 1026562536 /nfs/dbraw/zinc/56/25/36/1026562536.db2.gz WLFDTBYMZPYTJQ-SKZLGDCLSA-N -1 0 321.333 -0.401 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)n1cnc2c1ncnc2N ZINC001573399235 1026562621 /nfs/dbraw/zinc/56/26/21/1026562621.db2.gz LVFHWYAODGKPDH-JGVFFNPUSA-N -1 0 304.310 -0.097 20 0 DBADRM C[C@H](C(=O)N1CC[C@H](c2n[nH]cc2C(=O)[O-])C1)S(C)(=O)=O ZINC001573400077 1026562697 /nfs/dbraw/zinc/56/26/97/1026562697.db2.gz SJHXQIMAJMKGTB-SFYZADRCSA-N -1 0 315.351 -0.143 20 0 DBADRM CC(=O)CCCC(=O)N(C)[C@@H](C)CNC(=O)CNC(=O)[O-] ZINC001573399705 1026562898 /nfs/dbraw/zinc/56/28/98/1026562898.db2.gz KTRHYOZQGCLSBV-VIFPVBQESA-N -1 0 301.343 -0.024 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001573401290 1026562939 /nfs/dbraw/zinc/56/29/39/1026562939.db2.gz BSAGAQSHTMYCFI-RKDXNWHRSA-N -1 0 323.353 -0.042 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573401282 1026563399 /nfs/dbraw/zinc/56/33/99/1026563399.db2.gz PSVBTFMMGCPQGX-MRVPVSSYSA-N -1 0 309.326 -0.430 20 0 DBADRM CC(=O)CCCC(=O)N(C)C[C@@H](C)NC(=O)CNC(=O)[O-] ZINC001573400202 1026563614 /nfs/dbraw/zinc/56/36/14/1026563614.db2.gz SKJJMAOALXWPHU-SECBINFHSA-N -1 0 301.343 -0.024 20 0 DBADRM CC(=O)C[C@@H]1COCCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001573400278 1026563700 /nfs/dbraw/zinc/56/37/00/1026563700.db2.gz UOMKAZRAYXAGIE-MXWKQRLJSA-N -1 0 305.352 -0.141 20 0 DBADRM CC(=O)CCCC(=O)N[C@H]1CN(C(=O)CNC(=O)[O-])C[C@@H]1C ZINC001573400517 1026563959 /nfs/dbraw/zinc/56/39/59/1026563959.db2.gz WXIGMSWCTHLSON-ONGXEEELSA-N -1 0 313.354 -0.024 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H](c2n[nH]cc2C(=O)[O-])C1)S(C)(=O)=O ZINC001573400075 1026564160 /nfs/dbraw/zinc/56/41/60/1026564160.db2.gz SJHXQIMAJMKGTB-HTQZYQBOSA-N -1 0 315.351 -0.143 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)cn1 ZINC001573407119 1026564628 /nfs/dbraw/zinc/56/46/28/1026564628.db2.gz BHWFLOXADCFPRI-SLGCYQGISA-N -1 0 312.326 -0.292 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)CNC(=O)[O-])CC2(CCOCC2)C1 ZINC001573410269 1026565611 /nfs/dbraw/zinc/56/56/11/1026565611.db2.gz NBDCELIAVSHSLM-NSHDSACASA-N -1 0 313.354 -0.212 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)[O-] ZINC001573402315 1026565770 /nfs/dbraw/zinc/56/57/70/1026565770.db2.gz JSRVFEUOSJJQLR-BDAKNGLRSA-N -1 0 316.358 -0.868 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)N[C@H]2C[C@@H](O)[C@@H](O)C2)cn1 ZINC001573407118 1026565964 /nfs/dbraw/zinc/56/59/64/1026565964.db2.gz BHWFLOXADCFPRI-LETLQTKMSA-N -1 0 312.326 -0.292 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@H](C)N(C)c1ncc(C(=O)[O-])cn1 ZINC001573403247 1026566133 /nfs/dbraw/zinc/56/61/33/1026566133.db2.gz PUNAOWNZPHBICI-VIFPVBQESA-N -1 0 323.353 -0.406 20 0 DBADRM CC(=O)N1CCC(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])CC1 ZINC001573410672 1026566825 /nfs/dbraw/zinc/56/68/25/1026566825.db2.gz UYAPSRXMHNUJKG-GFCCVEGCSA-N -1 0 308.338 -0.289 20 0 DBADRM CC(=O)N1CCC2(CC1)CN(C(=O)CNC(=O)[O-])C[C@@H](C)O2 ZINC001573411313 1026566903 /nfs/dbraw/zinc/56/69/03/1026566903.db2.gz OMBOTNOBXITCKP-SNVBAGLBSA-N -1 0 313.354 -0.118 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N(C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001573416904 1026567102 /nfs/dbraw/zinc/56/71/02/1026567102.db2.gz DGOYTCBCMNCEAU-ZJUUUORDSA-N -1 0 313.354 -0.804 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001573411177 1026567548 /nfs/dbraw/zinc/56/75/48/1026567548.db2.gz KSRNJUDDIFNYBR-ATZCPNFKSA-N -1 0 313.354 -0.661 20 0 DBADRM CC(=O)N[C@@](C)(C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)C(C)C ZINC001573417658 1026568341 /nfs/dbraw/zinc/56/83/41/1026568341.db2.gz KOMQSJJQGSWWCI-CQSZACIVSA-N -1 0 323.353 -0.090 20 0 DBADRM CC(=O)N1CC(C(=O)N[C@H](C)CNc2ncc(C(=O)[O-])cn2)C1 ZINC001573410793 1026568429 /nfs/dbraw/zinc/56/84/29/1026568429.db2.gz VMOCHICSGYSFAT-MRVPVSSYSA-N -1 0 321.337 -0.430 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H](C)CCNc1ccnc(C(=O)[O-])n1 ZINC001573420310 1026568898 /nfs/dbraw/zinc/56/88/98/1026568898.db2.gz ADAXEYSVCCTYLW-RKDXNWHRSA-N -1 0 323.353 -0.572 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC001573419194 1026568934 /nfs/dbraw/zinc/56/89/34/1026568934.db2.gz ZFKVVWCCUNXXBN-OLZOCXBDSA-N -1 0 306.318 -0.479 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001573422069 1026568954 /nfs/dbraw/zinc/56/89/54/1026568954.db2.gz PCKCATIDEWNMEY-MRVPVSSYSA-N -1 0 321.337 -0.818 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC[C@H](F)C(=O)[O-] ZINC001573422485 1026569017 /nfs/dbraw/zinc/56/90/17/1026569017.db2.gz QJIAGDBVUPPFSO-QMMMGPOBSA-N -1 0 319.333 -0.665 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NC(=O)CNC(=O)[O-] ZINC001573421782 1026569451 /nfs/dbraw/zinc/56/94/51/1026569451.db2.gz MIPOMBGZYKJRIH-SFYZADRCSA-N -1 0 316.358 -0.822 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NCC[C@@H](C)NC(=O)CNC(=O)[O-] ZINC001573422471 1026569487 /nfs/dbraw/zinc/56/94/87/1026569487.db2.gz QESUFZORZUGSRZ-MRVPVSSYSA-N -1 0 316.358 -0.820 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CCNC(=O)CNC(=O)[O-] ZINC001573422586 1026569607 /nfs/dbraw/zinc/56/96/07/1026569607.db2.gz RWRGOUZMEUXEDY-QMMMGPOBSA-N -1 0 316.358 -0.820 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CNC(=O)[O-] ZINC001573422590 1026569942 /nfs/dbraw/zinc/56/99/42/1026569942.db2.gz SABJCRPMGVIOGQ-VIFPVBQESA-N -1 0 316.358 -0.915 20 0 DBADRM CC(=O)N[C@](C)(C(=O)NCCn1cc(C(=O)[O-])nn1)C(C)C ZINC001573418040 1026570135 /nfs/dbraw/zinc/57/01/35/1026570135.db2.gz MIQHORJEFXFMPO-ZDUSSCGKSA-N -1 0 311.342 -0.357 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001573421710 1026570163 /nfs/dbraw/zinc/57/01/63/1026570163.db2.gz KROAEKLERGYXPL-MRVPVSSYSA-N -1 0 309.326 -0.748 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573423316 1026570958 /nfs/dbraw/zinc/57/09/58/1026570958.db2.gz WRJKENUOVUTJRT-BDAKNGLRSA-N -1 0 323.353 -0.136 20 0 DBADRM CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001573427861 1026571477 /nfs/dbraw/zinc/57/14/77/1026571477.db2.gz LCJIJKUITSUFBJ-USZNOCQGSA-N -1 0 323.349 -0.955 20 0 DBADRM CC(=O)NC1CCC(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])CC1 ZINC001573426796 1026571785 /nfs/dbraw/zinc/57/17/85/1026571785.db2.gz LMXJPYDOVDKWTO-HTAVTVPLSA-N -1 0 323.353 -0.458 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573426495 1026571848 /nfs/dbraw/zinc/57/18/48/1026571848.db2.gz FCULXIIAOAVEIR-ONOSFVFSSA-N -1 0 321.337 -0.242 20 0 DBADRM CC(=O)NC1CCC(C(=O)NCCn2cc(C(=O)[O-])nn2)CC1 ZINC001573426765 1026572078 /nfs/dbraw/zinc/57/20/78/1026572078.db2.gz KPVLLPOCZBMBIE-UHFFFAOYSA-N -1 0 323.353 -0.213 20 0 DBADRM CC(=O)NCC(=O)N(C)CCN(C)c1ncc(C(=O)[O-])cn1 ZINC001573427974 1026572151 /nfs/dbraw/zinc/57/21/51/1026572151.db2.gz NMQYEIANWRXZTR-UHFFFAOYSA-N -1 0 309.326 -0.795 20 0 DBADRM CC(=O)NCC(=O)NC[C@H](Nc1ncc(C(=O)[O-])cn1)C(C)C ZINC001573429161 1026572942 /nfs/dbraw/zinc/57/29/42/1026572942.db2.gz DYXNUXVTEPWDKX-NSHDSACASA-N -1 0 323.353 -0.136 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001573430549 1026573056 /nfs/dbraw/zinc/57/30/56/1026573056.db2.gz RVKVFZXEJZMZPF-JTQLQIEISA-N -1 0 321.337 -0.604 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](CNc1ncc(C(=O)[O-])cn1)C1CC1 ZINC001573429323 1026573332 /nfs/dbraw/zinc/57/33/32/1026573332.db2.gz HSNJWXAWHIIOOJ-NSHDSACASA-N -1 0 321.337 -0.382 20 0 DBADRM CC(=O)NCC(=O)NCC1CC(Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573430161 1026573500 /nfs/dbraw/zinc/57/35/00/1026573500.db2.gz OHYSDQCJQISOAN-UHFFFAOYSA-N -1 0 321.337 -0.382 20 0 DBADRM CC(=O)N[C@H]1CCN([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001573428187 1026573798 /nfs/dbraw/zinc/57/37/98/1026573798.db2.gz RTYWWVCPEXCGRQ-MFKMUULPSA-N -1 0 311.382 -0.092 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)NCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001573429222 1026573975 /nfs/dbraw/zinc/57/39/75/1026573975.db2.gz FKCDZFAPQYDSGL-ZJUUUORDSA-N -1 0 313.354 -0.898 20 0 DBADRM CC(=O)NCC(=O)N[C@]1(C)CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001573430144 1026574024 /nfs/dbraw/zinc/57/40/24/1026574024.db2.gz OBAKHNBQCFCLNP-CQSZACIVSA-N -1 0 321.337 -0.604 20 0 DBADRM CC(=O)Nc1ccc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)nc1 ZINC001573442973 1026574637 /nfs/dbraw/zinc/57/46/37/1026574637.db2.gz BIHHKERBQCVQFA-MWLCHTKSSA-N -1 0 307.306 -0.052 20 0 DBADRM CC(=O)NCc1ccc(NC(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001573435946 1026575339 /nfs/dbraw/zinc/57/53/39/1026575339.db2.gz JUZZAWBQOYBFMI-UHFFFAOYSA-N -1 0 322.321 -0.355 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N1CCc2c1cccc2C(=O)[O-])C(N)=O ZINC001573436182 1026575591 /nfs/dbraw/zinc/57/55/91/1026575591.db2.gz ITSQYGMKARMCMM-NSHDSACASA-N -1 0 319.317 -0.346 20 0 DBADRM CC(=O)N[C@@H](CSCc1nnc2n1CCOC2)C(=O)[O-] ZINC001573436108 1026575695 /nfs/dbraw/zinc/57/56/95/1026575695.db2.gz HEAYBKFGTUHSKS-QMMMGPOBSA-N -1 0 300.340 -0.369 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C(N)=O ZINC001573436448 1026575722 /nfs/dbraw/zinc/57/57/22/1026575722.db2.gz QEGIPNTVRMEELM-QWRGUYRKSA-N -1 0 313.354 -0.530 20 0 DBADRM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001573440947 1026575902 /nfs/dbraw/zinc/57/59/02/1026575902.db2.gz KXMXQDZVOGEBOW-VXGBXAGGSA-N -1 0 323.353 -0.458 20 0 DBADRM CC(=O)NCC(=O)N[C@H](C)CCNc1ncc(C(=O)[O-])cn1 ZINC001573430943 1026576097 /nfs/dbraw/zinc/57/60/97/1026576097.db2.gz XDPWUNDPEORSRZ-MRVPVSSYSA-N -1 0 309.326 -0.382 20 0 DBADRM CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)[O-])CC1 ZINC001573435878 1026576145 /nfs/dbraw/zinc/57/61/45/1026576145.db2.gz CCYPHBFJUOYUBQ-YPMHNXCESA-N -1 0 313.354 -0.214 20 0 DBADRM CC(=O)NCc1cccc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC001573435619 1026576197 /nfs/dbraw/zinc/57/61/97/1026576197.db2.gz DEVUVMWFMHGTRI-HNNXBMFYSA-N -1 0 306.318 -0.016 20 0 DBADRM CC(=O)NC[C@H](CC(=O)NCC(=O)NCC(=O)[O-])CC(C)C ZINC001573435959 1026576215 /nfs/dbraw/zinc/57/62/15/1026576215.db2.gz KSKLESXZNYWYOU-NSHDSACASA-N -1 0 315.370 -0.508 20 0 DBADRM CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)[C@H](O)CC(=O)[O-] ZINC001573459760 1026577414 /nfs/dbraw/zinc/57/74/14/1026577414.db2.gz IXPBYTGAJPUUEI-HTQZYQBOSA-N -1 0 304.368 -0.362 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001573468217 1026579238 /nfs/dbraw/zinc/57/92/38/1026579238.db2.gz GWWKUUQIPVGDBJ-IUCAKERBSA-N -1 0 318.326 -0.816 20 0 DBADRM CC(C)(C)OC(=O)N1CC(CS(=O)(=O)NCC(=O)[O-])C1 ZINC001573465714 1026579251 /nfs/dbraw/zinc/57/92/51/1026579251.db2.gz VWZSFWAZELVNDV-UHFFFAOYSA-N -1 0 308.356 -0.143 20 0 DBADRM CC(C)(CC(=O)N1CC[C@@H](CNS(C)(=O)=O)C1)C(=O)[O-] ZINC001573476503 1026579478 /nfs/dbraw/zinc/57/94/78/1026579478.db2.gz IAWGGVZPIXSHJO-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM CC(C)(CNC(=O)N1CCC[C@H]1CC(=O)[O-])CS(N)(=O)=O ZINC001573481908 1026579630 /nfs/dbraw/zinc/57/96/30/1026579630.db2.gz GGYRVVJFLXDSHG-VIFPVBQESA-N -1 0 321.399 -0.050 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N[C@@H](CO)CC(=O)[O-] ZINC001573468305 1026579985 /nfs/dbraw/zinc/57/99/85/1026579985.db2.gz JKBHJWGMRKOJIZ-HRDYMLBCSA-N -1 0 302.327 -0.149 20 0 DBADRM CC(C)(CC(N)=O)NC(=O)Nc1nnc(CC(=O)[O-])s1 ZINC001573477169 1026580311 /nfs/dbraw/zinc/58/03/11/1026580311.db2.gz WMLVBCYVVQEJFB-UHFFFAOYSA-N -1 0 301.328 -0.059 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N[C@H](CO)CC(=O)[O-] ZINC001573468306 1026580388 /nfs/dbraw/zinc/58/03/88/1026580388.db2.gz JKBHJWGMRKOJIZ-XHNCKOQMSA-N -1 0 302.327 -0.149 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1)C(=O)[O-] ZINC001573489638 1026581570 /nfs/dbraw/zinc/58/15/70/1026581570.db2.gz HABBDXMSSZZUBN-GRYCIOLGSA-N -1 0 322.365 -0.111 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC001573491144 1026582130 /nfs/dbraw/zinc/58/21/30/1026582130.db2.gz FINBPZYOQZUTCA-IINYFYTJSA-N -1 0 316.354 -0.883 20 0 DBADRM CC(C)(NS(=O)(=O)N1CCN(C(=O)[O-])CC1)c1ncon1 ZINC001573483912 1026582221 /nfs/dbraw/zinc/58/22/21/1026582221.db2.gz GQMGTPWYKWLKLB-UHFFFAOYSA-N -1 0 319.343 -0.565 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCCC1 ZINC001573495133 1026582755 /nfs/dbraw/zinc/58/27/55/1026582755.db2.gz UDRBFYMBFXGAKT-SNVBAGLBSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@H](CCC(=O)[O-])NC(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC001573541110 1026586693 /nfs/dbraw/zinc/58/66/93/1026586693.db2.gz QZAYNGHSTJIJLQ-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001573519503 1026584340 /nfs/dbraw/zinc/58/43/40/1026584340.db2.gz NTGJFHSYVHMEEX-QMMMGPOBSA-N -1 0 311.298 -0.678 20 0 DBADRM CC(C)C[C@H](NC(=O)[C@@H](O)C(C)(C)O)c1nc(C(=O)[O-])n[nH]1 ZINC001573506646 1026585078 /nfs/dbraw/zinc/58/50/78/1026585078.db2.gz SOZZMIDNSTXNDH-JGVFFNPUSA-N -1 0 314.342 -0.162 20 0 DBADRM C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001573543326 1026586461 /nfs/dbraw/zinc/58/64/61/1026586461.db2.gz PWGKLZGZTIWMKB-LURJTMIESA-N -1 0 305.312 -0.983 20 0 DBADRM C[C@@H](CCC(=O)[O-])NC(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001573541845 1026586526 /nfs/dbraw/zinc/58/65/26/1026586526.db2.gz ZRHXJYGQYPEZBT-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001573553620 1026588389 /nfs/dbraw/zinc/58/83/89/1026588389.db2.gz YAFDDXWMCWZLMN-QMMMGPOBSA-N -1 0 316.335 -0.840 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)C1=C[S@](=O)CCC1)C(=O)[O-] ZINC001573552384 1026588497 /nfs/dbraw/zinc/58/84/97/1026588497.db2.gz GOYMDRZOWQWXLH-DDIDRBJESA-N -1 0 302.352 -0.493 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NC(=O)Cn1nnc2ccccc21)C(=O)[O-] ZINC001573552160 1026589200 /nfs/dbraw/zinc/58/92/00/1026589200.db2.gz DVNLSRCYFLPIQI-DTWKUNHWSA-N -1 0 319.321 -0.475 20 0 DBADRM C[C@@H](CNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)C(=O)[O-] ZINC001573544687 1026589387 /nfs/dbraw/zinc/58/93/87/1026589387.db2.gz TYEKKVZZLZUPKH-KWQFWETISA-N -1 0 319.317 -0.036 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)Cn1nnc2ccccc21)C(=O)[O-] ZINC001573552161 1026590052 /nfs/dbraw/zinc/59/00/52/1026590052.db2.gz DVNLSRCYFLPIQI-IUCAKERBSA-N -1 0 319.321 -0.475 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573550105 1026590166 /nfs/dbraw/zinc/59/01/66/1026590166.db2.gz JBSPNZUWDHIQND-OUAUKWLOSA-N -1 0 311.342 -0.459 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ncccc1N(C)C)C(=O)[O-] ZINC001573559792 1026590563 /nfs/dbraw/zinc/59/05/63/1026590563.db2.gz JKWCIKNXUJCKJI-RKDXNWHRSA-N -1 0 308.338 -0.145 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)Cc1ccno1)C(=O)[O-] ZINC001573559997 1026590737 /nfs/dbraw/zinc/59/07/37/1026590737.db2.gz NXCSJHGHIMQPDY-NKWVEPMBSA-N -1 0 305.312 -0.928 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001573559397 1026590949 /nfs/dbraw/zinc/59/09/49/1026590949.db2.gz QCTDOVSCMDWLKL-JTQLQIEISA-N -1 0 301.343 -0.181 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NC(=O)c1ncc2n1CCCC2)C(=O)[O-] ZINC001573560109 1026591179 /nfs/dbraw/zinc/59/11/79/1026591179.db2.gz POZOBMOAYXEATC-DTWKUNHWSA-N -1 0 308.338 -0.073 20 0 DBADRM C[C@@H](NC(=O)Nc1ccn(C)c(=O)c1)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573554271 1026591402 /nfs/dbraw/zinc/59/14/02/1026591402.db2.gz RAUACUPFRZGWIH-SFYZADRCSA-N -1 0 310.310 -0.515 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)NC(=O)c1cnn2c1NCCC2)C(=O)[O-] ZINC001573560168 1026591780 /nfs/dbraw/zinc/59/17/80/1026591780.db2.gz RFDDQVSLGCFIGR-HTQZYQBOSA-N -1 0 309.326 -0.594 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)NC(=O)c1cccn(C2CC2)c1=O)C(=O)[O-] ZINC001573560085 1026591829 /nfs/dbraw/zinc/59/18/29/1026591829.db2.gz PHXFYNUQLIOCCG-RKDXNWHRSA-N -1 0 321.333 -0.109 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)NC(=O)Cc1nnc(C2CC2)[nH]1)C(=O)[O-] ZINC001573554313 1026591938 /nfs/dbraw/zinc/59/19/38/1026591938.db2.gz RYOKEXODGNQZIW-RNFRBKRXSA-N -1 0 309.326 -0.681 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)NC(=O)Nc1ccn(C)c(=O)c1)C(=O)[O-] ZINC001573554269 1026591953 /nfs/dbraw/zinc/59/19/53/1026591953.db2.gz RAUACUPFRZGWIH-HTQZYQBOSA-N -1 0 310.310 -0.515 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)NC(=O)c1cncc2[nH]cnc21)C(=O)[O-] ZINC001573560794 1026593035 /nfs/dbraw/zinc/59/30/35/1026593035.db2.gz XZABVXAQTXTRGP-RNFRBKRXSA-N -1 0 305.294 -0.335 20 0 DBADRM C[C@@H](NC(=O)c1cnc2n1CCOC2)c1nc(C(=O)[O-])n[nH]1 ZINC001573573767 1026593135 /nfs/dbraw/zinc/59/31/35/1026593135.db2.gz WWUMOJNGHSTTIM-ZCFIWIBFSA-N -1 0 306.282 -0.279 20 0 DBADRM C[C@@H](NC(=O)c1nc(S(N)(=O)=O)c2ccccn12)C(=O)[O-] ZINC001573571844 1026593154 /nfs/dbraw/zinc/59/31/54/1026593154.db2.gz MJFFNKIXTWKDBV-ZCFIWIBFSA-N -1 0 312.307 -0.815 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NCc1nc(CC(=O)[O-])cs1 ZINC001573579489 1026595132 /nfs/dbraw/zinc/59/51/32/1026595132.db2.gz VFTWMUZCBJPPHX-ZCFIWIBFSA-N -1 0 321.380 -0.676 20 0 DBADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1nc2ncc(CCO)cn2n1 ZINC001573573809 1026595563 /nfs/dbraw/zinc/59/55/63/1026595563.db2.gz XDNQREBZWWASJK-SFYZADRCSA-N -1 0 307.310 -0.502 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc(C(=O)[O-])n[nH]1 ZINC001573578295 1026595711 /nfs/dbraw/zinc/59/57/11/1026595711.db2.gz CAYLPRCAQUXKJI-YFKPBYRVSA-N -1 0 300.300 -0.724 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)Nc2nnc(CC(=O)[O-])s2)CCO1 ZINC001573580208 1026596074 /nfs/dbraw/zinc/59/60/74/1026596074.db2.gz CGILCQXFTAKPDM-RQJHMYQMSA-N -1 0 316.339 -0.221 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1cc(C(=O)[O-])no1 ZINC001573580244 1026596323 /nfs/dbraw/zinc/59/63/23/1026596323.db2.gz CMOZCJYXIFWHNC-WKEGUHRASA-N -1 0 311.294 -0.735 20 0 DBADRM C[C@](O)(CNC(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC001573582700 1026597205 /nfs/dbraw/zinc/59/72/05/1026597205.db2.gz OUDVHUMRGCTMEF-NSHDSACASA-N -1 0 302.308 -0.950 20 0 DBADRM C[C@@H](O)[C@@H](O)CNC(=O)Nc1ccn2ncc(C(=O)[O-])c2c1 ZINC001573583049 1026597599 /nfs/dbraw/zinc/59/75/99/1026597599.db2.gz RNHOPWUWAQQZTJ-HQJQHLMTSA-N -1 0 308.294 -0.104 20 0 DBADRM C[C@H](O)[C@H](O)CNC(=O)Nc1ccn2ncc(C(=O)[O-])c2c1 ZINC001573583053 1026597987 /nfs/dbraw/zinc/59/79/87/1026597987.db2.gz RNHOPWUWAQQZTJ-WRWORJQWSA-N -1 0 308.294 -0.104 20 0 DBADRM C[C@H](O)CN(C(=O)Nc1ncc(C(=O)[O-])n1C)[C@@H](C)CO ZINC001573581815 1026598066 /nfs/dbraw/zinc/59/80/66/1026598066.db2.gz KVYGPGCXHKUIGL-YUMQZZPRSA-N -1 0 300.315 -0.286 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)c2ccnc3c(C(=O)[O-])cnn32)CCO1 ZINC001573582309 1026598330 /nfs/dbraw/zinc/59/83/30/1026598330.db2.gz MFMSRXQGLQCFBU-LDYMZIIASA-N -1 0 320.305 -0.351 20 0 DBADRM C[C@H](CNC(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O)C(=O)[O-] ZINC001573593835 1026598458 /nfs/dbraw/zinc/59/84/58/1026598458.db2.gz QPOWKIBRVGLPTE-NXEZZACHSA-N -1 0 313.354 -0.620 20 0 DBADRM CC1(C)CNC(=O)[C@@H]1NC(=O)c1ccnc2c(C(=O)[O-])cnn21 ZINC001573613117 1026602080 /nfs/dbraw/zinc/60/20/80/1026602080.db2.gz ONTYWSMBEXBUSA-VIFPVBQESA-N -1 0 317.305 -0.318 20 0 DBADRM C[C@]1(CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)CCCO1 ZINC001573620446 1026602986 /nfs/dbraw/zinc/60/29/86/1026602986.db2.gz XHRSTNPTXVNSLX-OPQQBVKSSA-N -1 0 301.343 -0.175 20 0 DBADRM C[C@]1([C@H]2CCCN(C(=O)[C@H](O)CC(=O)[O-])C2)COC(=O)N1 ZINC001573620493 1026603495 /nfs/dbraw/zinc/60/34/95/1026603495.db2.gz ZFJBIKNIZPYHNY-IGJMFERPSA-N -1 0 300.311 -0.441 20 0 DBADRM C[C@]1(NC(=O)NC[C@]2(C(=O)[O-])CCCOC2)CCOC1=O ZINC001573622281 1026603697 /nfs/dbraw/zinc/60/36/97/1026603697.db2.gz KFCFLUAZMQNPHV-QWHCGFSZSA-N -1 0 300.311 -0.127 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001573626417 1026603737 /nfs/dbraw/zinc/60/37/37/1026603737.db2.gz PLNZATVBCQRFQL-SCZZXKLOSA-N -1 0 315.351 -0.109 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001573627280 1026604050 /nfs/dbraw/zinc/60/40/50/1026604050.db2.gz YMBUZCXWWQTLFD-MRVPVSSYSA-N -1 0 301.324 -0.546 20 0 DBADRM C[C@@]1(NC(=O)NC[C@]2(C(=O)[O-])CCCOC2)CCOC1=O ZINC001573622279 1026604088 /nfs/dbraw/zinc/60/40/88/1026604088.db2.gz KFCFLUAZMQNPHV-CHWSQXEVSA-N -1 0 300.311 -0.127 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC001573625256 1026604353 /nfs/dbraw/zinc/60/43/53/1026604353.db2.gz HYBDTWKKZOBAJY-SECBINFHSA-N -1 0 301.324 -0.499 20 0 DBADRM C[C@@]1(C2CCN(C(=O)[C@H](O)CC(=O)[O-])CC2)COC(=O)N1 ZINC001573620457 1026604698 /nfs/dbraw/zinc/60/46/98/1026604698.db2.gz XNTNGBFUQFVRPB-RNCFNFMXSA-N -1 0 300.311 -0.441 20 0 DBADRM C[C@]1(NS(=O)(=O)Cc2cc(C(=O)[O-])no2)CCNC1=O ZINC001573625289 1026604729 /nfs/dbraw/zinc/60/47/29/1026604729.db2.gz IPBILJCDGSYOHS-JTQLQIEISA-N -1 0 303.296 -0.929 20 0 DBADRM C[C@H](O)c1ncc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])s1 ZINC001573635224 1026606562 /nfs/dbraw/zinc/60/65/62/1026606562.db2.gz KNQAWMMIJFEFNE-CBAPKCEASA-N -1 0 320.392 -0.120 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)N1CCC[C@@H]1c1n[nH]nc1C(=O)[O-] ZINC001573660262 1026608334 /nfs/dbraw/zinc/60/83/34/1026608334.db2.gz IPGGFTFOANLWPO-RRKCRQDMSA-N -1 0 309.282 -0.337 20 0 DBADRM C[C@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)C1(NC(N)=O)CC1 ZINC001573654126 1026608704 /nfs/dbraw/zinc/60/87/04/1026608704.db2.gz GUFOBJMGNXGJMI-ZETCQYMHSA-N -1 0 307.310 -0.487 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)NCc1cn(C)nn1 ZINC001573655056 1026608714 /nfs/dbraw/zinc/60/87/14/1026608714.db2.gz QZZUPHIFLDLSSS-MRVPVSSYSA-N -1 0 319.325 -0.176 20 0 DBADRM CCC(=O)N1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC001573659412 1026609048 /nfs/dbraw/zinc/60/90/48/1026609048.db2.gz DWTVZXHTYDYEGH-UHFFFAOYSA-N -1 0 316.339 -0.383 20 0 DBADRM C[C@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)N=c1nc[nH]n1C ZINC001573655738 1026609511 /nfs/dbraw/zinc/60/95/11/1026609511.db2.gz YZZCPDADBCJITI-ZETCQYMHSA-N -1 0 305.298 -0.432 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC001573660755 1026611013 /nfs/dbraw/zinc/61/10/13/1026611013.db2.gz LEBBDOQWIQUJSM-XLPZGREQSA-N -1 0 310.314 -0.508 20 0 DBADRM CC[C@H](C(=O)N1CCC(C(=O)[O-])(S(C)(=O)=O)CC1)[C@H](C)O ZINC001573660693 1026611201 /nfs/dbraw/zinc/61/12/01/1026611201.db2.gz KKBNPFOPHLIMLB-UWVGGRQHSA-N -1 0 321.395 -0.116 20 0 DBADRM CCC(CC)(CNC(=O)C1=NN(CCO)C(=O)CC1)C(=O)[O-] ZINC001573685873 1026618061 /nfs/dbraw/zinc/61/80/61/1026618061.db2.gz IFGGJFCKGFFAAY-UHFFFAOYSA-N -1 0 313.354 -0.036 20 0 DBADRM CCC(CC)(NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001573699232 1026619838 /nfs/dbraw/zinc/61/98/38/1026619838.db2.gz LKDHDXXNSWEUDR-UHFFFAOYSA-N -1 0 319.339 -0.592 20 0 DBADRM C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001573691275 1026619955 /nfs/dbraw/zinc/61/99/55/1026619955.db2.gz USRWQUDGDBHVOJ-IEBDPFPHSA-N -1 0 317.363 -0.298 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@@H](C)CS(C)(=O)=O ZINC001573724077 1026622554 /nfs/dbraw/zinc/62/25/54/1026622554.db2.gz CVRBJNPKGZVCES-JGVFFNPUSA-N -1 0 301.386 -0.408 20 0 DBADRM CC[C@@H](NC(=O)Nc1cccn(CC(=O)[O-])c1=O)C(=O)NC ZINC001573699790 1026623326 /nfs/dbraw/zinc/62/33/26/1026623326.db2.gz IXOGNCSZGMJCQS-MRVPVSSYSA-N -1 0 310.310 -0.421 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)nn1 ZINC001573709220 1026623845 /nfs/dbraw/zinc/62/38/45/1026623845.db2.gz GGYNLKFWDDJAEV-NXEZZACHSA-N -1 0 311.342 -0.079 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NC(C)(C)CS(C)(=O)=O ZINC001573724636 1026625076 /nfs/dbraw/zinc/62/50/76/1026625076.db2.gz OHFCIMBRPWPRHM-QMMMGPOBSA-N -1 0 315.413 -0.018 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N[C@H](CO)c1cnn(C)c1 ZINC001573725362 1026624956 /nfs/dbraw/zinc/62/49/56/1026624956.db2.gz YUIQIFQWHAOZIO-ZJUUUORDSA-N -1 0 305.356 -0.374 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC001573725197 1026625452 /nfs/dbraw/zinc/62/54/52/1026625452.db2.gz XUBCIQZQXOPEJP-IUCAKERBSA-N -1 0 308.356 -0.854 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NC1(C(N)=O)CCOCC1 ZINC001573724351 1026625584 /nfs/dbraw/zinc/62/55/84/1026625584.db2.gz JBIHCCNWBHYTLD-QMMMGPOBSA-N -1 0 308.356 -0.806 20 0 DBADRM CCC[C@H](CNC(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O)C(=O)[O-] ZINC001573729787 1026625641 /nfs/dbraw/zinc/62/56/41/1026625641.db2.gz YYBLCKCWJZGSRR-GDPRMGEGSA-N -1 0 300.355 -0.121 20 0 DBADRM CCCN([C@@H](C)C(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC001573751629 1026626766 /nfs/dbraw/zinc/62/67/66/1026626766.db2.gz YRSDKNQFJSWUKU-QMMMGPOBSA-N -1 0 301.386 -0.454 20 0 DBADRM CCCN(C(=O)Cn1ncn2nccc2c1=O)[C@H](C)C(=O)[O-] ZINC001573743502 1026627087 /nfs/dbraw/zinc/62/70/87/1026627087.db2.gz BAVRHAJFYBWZIW-SECBINFHSA-N -1 0 307.310 -0.397 20 0 DBADRM CCC[C@H](O)[C@@H](CO)NC(=O)CC1(C(=O)[O-])CCOCC1 ZINC001573734017 1026627218 /nfs/dbraw/zinc/62/72/18/1026627218.db2.gz PURNJAVIXIFQSY-MNOVXSKESA-N -1 0 303.355 -0.104 20 0 DBADRM CCCN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@H](C)C(=O)[O-] ZINC001573743009 1026627291 /nfs/dbraw/zinc/62/72/91/1026627291.db2.gz OSHVSINKSOVGIE-ZJUUUORDSA-N -1 0 321.399 -0.386 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnc(C(=O)[O-])cn2)[C@H](C)CN1CCO ZINC001573747606 1026627818 /nfs/dbraw/zinc/62/78/18/1026627818.db2.gz GFIRCNXYXPGZSX-NXEZZACHSA-N -1 0 308.338 -0.298 20 0 DBADRM CCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H](COC)C(=O)[O-] ZINC001573744159 1026628260 /nfs/dbraw/zinc/62/82/60/1026628260.db2.gz QDDYZQKHWVSQPD-LPEHRKFASA-N -1 0 302.327 -0.643 20 0 DBADRM CCCN([C@H](C)C(=O)[O-])S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001573750799 1026628291 /nfs/dbraw/zinc/62/82/91/1026628291.db2.gz ICVQIIFTMUWGBA-CVJBHZAOSA-N -1 0 315.417 -0.009 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001573734947 1026628733 /nfs/dbraw/zinc/62/87/33/1026628733.db2.gz AIRGLJOQZZMEBV-UHFFFAOYSA-N -1 0 304.328 -0.234 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573769111 1026629346 /nfs/dbraw/zinc/62/93/46/1026629346.db2.gz BVAKUKJWDWTYOE-ZJUUUORDSA-N -1 0 316.358 -0.875 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001573770852 1026630285 /nfs/dbraw/zinc/63/02/85/1026630285.db2.gz BQOVWDWXENUZSJ-JFGNBEQYSA-N -1 0 318.395 -0.163 20 0 DBADRM CCN(CC(=O)[O-])C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001573769083 1026630344 /nfs/dbraw/zinc/63/03/44/1026630344.db2.gz BLNYOXONCADEPO-UHFFFAOYSA-N -1 0 316.339 -0.936 20 0 DBADRM CCN1C[C@H](C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)CC1=O ZINC001573776859 1026630424 /nfs/dbraw/zinc/63/04/24/1026630424.db2.gz DGAFFQLQQHJOSP-RAIGVLPGSA-N -1 0 321.333 -0.447 20 0 DBADRM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001573777206 1026630885 /nfs/dbraw/zinc/63/08/85/1026630885.db2.gz YTNMJZNOWKENEK-NXEZZACHSA-N -1 0 323.349 -0.034 20 0 DBADRM CCNC(=O)NC(=O)CS[C@@H](CC(=O)OCC)C(=O)[O-] ZINC001573783349 1026632077 /nfs/dbraw/zinc/63/20/77/1026632077.db2.gz YKFITGZCDMKVEU-ZETCQYMHSA-N -1 0 306.340 -0.028 20 0 DBADRM CCNC(=O)CCC(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001573778382 1026633318 /nfs/dbraw/zinc/63/33/18/1026633318.db2.gz ULGHMYPFLXAYEI-NRFANRHFSA-N -1 0 318.395 -0.273 20 0 DBADRM CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)[C@@H](O)CC(=O)[O-] ZINC001573784238 1026633404 /nfs/dbraw/zinc/63/34/04/1026633404.db2.gz HBJCNYZBPDMNMC-CMPLNLGQSA-N -1 0 310.306 -0.020 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@H](CC(=O)[O-])C(F)(F)F ZINC001573786673 1026634425 /nfs/dbraw/zinc/63/44/25/1026634425.db2.gz XTXMBEIMFMAWRB-NTSWFWBYSA-N -1 0 301.217 -0.178 20 0 DBADRM CCOC(=O)NCC(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001573788207 1026634483 /nfs/dbraw/zinc/63/44/83/1026634483.db2.gz UEXCJISTOJHVDP-WDEREUQCSA-N -1 0 311.294 -0.570 20 0 DBADRM CCOC(=O)[C@H]1CCN(C(=O)Nc2ncn(CC(=O)[O-])n2)C1 ZINC001573786059 1026634523 /nfs/dbraw/zinc/63/45/23/1026634523.db2.gz GVGCZDHHZQFNCP-QMMMGPOBSA-N -1 0 311.298 -0.220 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@H](CC(=O)[O-])C(F)(F)F ZINC001573786674 1026634557 /nfs/dbraw/zinc/63/45/57/1026634557.db2.gz XTXMBEIMFMAWRB-PHDIDXHHSA-N -1 0 301.217 -0.178 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573801247 1026636417 /nfs/dbraw/zinc/63/64/17/1026636417.db2.gz SELCEEDCZGWJBB-LMLFDSFASA-N -1 0 317.342 -0.940 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573792383 1026636627 /nfs/dbraw/zinc/63/66/27/1026636627.db2.gz VZNSCXBBPCJARG-LMLFDSFASA-N -1 0 314.338 -0.337 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573801248 1026636759 /nfs/dbraw/zinc/63/67/59/1026636759.db2.gz SELCEEDCZGWJBB-LNFKQOIKSA-N -1 0 317.342 -0.940 20 0 DBADRM CC[C@@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)[C@@H](C)O ZINC001573811259 1026637922 /nfs/dbraw/zinc/63/79/22/1026637922.db2.gz WRMVDJYWHJGTFB-RKDXNWHRSA-N -1 0 307.368 -0.458 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc(C)nn1CC(=O)[O-] ZINC001573807694 1026637949 /nfs/dbraw/zinc/63/79/49/1026637949.db2.gz UGOJCZLAASOCAI-MRVPVSSYSA-N -1 0 318.355 -0.458 20 0 DBADRM CC[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@]1(F)C(=O)[O-] ZINC001573817200 1026638863 /nfs/dbraw/zinc/63/88/63/1026638863.db2.gz LCMNGTXUEMOMBH-GZMMTYOYSA-N -1 0 310.347 -0.461 20 0 DBADRM CC[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@]1(F)C(=O)[O-] ZINC001573817633 1026639385 /nfs/dbraw/zinc/63/93/85/1026639385.db2.gz YCVCEQGCTHWTJI-GZMMTYOYSA-N -1 0 310.347 -0.461 20 0 DBADRM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC(N)=O)CC(=O)[O-] ZINC001573814248 1026639026 /nfs/dbraw/zinc/63/90/26/1026639026.db2.gz IQAKLHBIMGPINJ-MRVPVSSYSA-N -1 0 317.342 -0.312 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cc(C)nn1CC(=O)[O-] ZINC001573807695 1026639243 /nfs/dbraw/zinc/63/92/43/1026639243.db2.gz UGOJCZLAASOCAI-QMMMGPOBSA-N -1 0 318.355 -0.458 20 0 DBADRM CC[C@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)[C@H](C)O ZINC001573811258 1026639270 /nfs/dbraw/zinc/63/92/70/1026639270.db2.gz WRMVDJYWHJGTFB-IUCAKERBSA-N -1 0 307.368 -0.458 20 0 DBADRM CCn1cc(CC(=O)Nc2cccn(CC(=O)[O-])c2=O)nn1 ZINC001573847809 1026641365 /nfs/dbraw/zinc/64/13/65/1026641365.db2.gz ZFMYOERIEGKZJT-UHFFFAOYSA-N -1 0 305.294 -0.275 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)N2C[C@@H](O)C[C@]2(C)CO)n1 ZINC001573846225 1026641591 /nfs/dbraw/zinc/64/15/91/1026641591.db2.gz BHVGSXISRRVKDC-ISVAXAHUSA-N -1 0 312.326 -0.049 20 0 DBADRM CCn1cc(CNS(=O)(=O)CCCC(=O)[O-])c(=O)[nH]c1=O ZINC001573846540 1026641682 /nfs/dbraw/zinc/64/16/82/1026641682.db2.gz AZRGTDRSVXGHGO-UHFFFAOYSA-N -1 0 319.339 -0.747 20 0 DBADRM CCn1cc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)nn1 ZINC001573845235 1026641734 /nfs/dbraw/zinc/64/17/34/1026641734.db2.gz YTXCUOLSTRKDMH-GHMZBOCLSA-N -1 0 305.294 -0.390 20 0 DBADRM CCc1ncoc1C(=O)N1CCOC[C@H]1C(=O)NCC(=O)[O-] ZINC001573840021 1026641960 /nfs/dbraw/zinc/64/19/60/1026641960.db2.gz KBVXIFKYAKMDGW-VIFPVBQESA-N -1 0 311.294 -0.721 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)NC2CC(CO)(CO)C2)n1 ZINC001573846870 1026641990 /nfs/dbraw/zinc/64/19/90/1026641990.db2.gz LDGQZZPCSUTUFG-UHFFFAOYSA-N -1 0 312.326 -0.144 20 0 DBADRM CN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001573856948 1026643564 /nfs/dbraw/zinc/64/35/64/1026643564.db2.gz WLWWHXLGQNUCBZ-KXUCPTDWSA-N -1 0 304.368 -0.411 20 0 DBADRM CN(C)c1n[nH]c(CNC(=O)NCc2cc(C(=O)[O-])no2)n1 ZINC001573864759 1026644646 /nfs/dbraw/zinc/64/46/46/1026644646.db2.gz CIBGLWBALNROQX-UHFFFAOYSA-N -1 0 309.286 -0.444 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC001573863615 1026644865 /nfs/dbraw/zinc/64/48/65/1026644865.db2.gz HMKGZHBGQNIIPH-AMUVOQDHSA-N -1 0 319.383 -0.763 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=O)NCCO2 ZINC001573864457 1026644895 /nfs/dbraw/zinc/64/48/95/1026644895.db2.gz DHSUPPZXDUYSKN-UHFFFAOYSA-N -1 0 314.319 -0.486 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)Cc1nnc[nH]1 ZINC001573864478 1026645223 /nfs/dbraw/zinc/64/52/23/1026645223.db2.gz FKJYUBQBRMDREG-SECBINFHSA-N -1 0 309.326 -0.871 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC001573864007 1026645275 /nfs/dbraw/zinc/64/52/75/1026645275.db2.gz QUHYZKUVYVXEKH-ULCDLSAGSA-N -1 0 314.389 -0.853 20 0 DBADRM CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C1(CC(=O)[O-])CC1 ZINC001573864488 1026645366 /nfs/dbraw/zinc/64/53/66/1026645366.db2.gz FVRQAVMPABLHBW-MRVPVSSYSA-N -1 0 311.381 -0.558 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001573863487 1026645937 /nfs/dbraw/zinc/64/59/37/1026645937.db2.gz CBVYXTDJWGYUND-UHFFFAOYSA-N -1 0 304.328 -0.662 20 0 DBADRM CN1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001573882966 1026649093 /nfs/dbraw/zinc/64/90/93/1026649093.db2.gz KZMRMCHUIVMJEM-OUAUKWLOSA-N -1 0 303.384 -0.441 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001573882259 1026649467 /nfs/dbraw/zinc/64/94/67/1026649467.db2.gz CDXSXNOCPXSEQD-VXGBXAGGSA-N -1 0 315.347 -0.094 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)CC1=O ZINC001573882839 1026649838 /nfs/dbraw/zinc/64/98/38/1026649838.db2.gz KGJFDXOKSBEDJE-TVYUQYBPSA-N -1 0 321.333 -0.447 20 0 DBADRM CN([C@@H]1CCC[C@H]1O)S(=O)(=O)N1CCN(C(=O)[O-])CC1 ZINC001573883113 1026650248 /nfs/dbraw/zinc/65/02/48/1026650248.db2.gz YZGGEPWMVIDGGC-NXEZZACHSA-N -1 0 307.372 -0.628 20 0 DBADRM CN(CCc1ccccn1)C(=O)CNC(=O)[C@@H](O)CC(=O)[O-] ZINC001573873179 1026650851 /nfs/dbraw/zinc/65/08/51/1026650851.db2.gz ZQWRWWOCDZRDSG-NSHDSACASA-N -1 0 309.322 -0.966 20 0 DBADRM CN1C[C@@H](C(=O)Nc2ccn3ncc(C(=O)[O-])c3c2)NC1=O ZINC001573882821 1026650891 /nfs/dbraw/zinc/65/08/91/1026650891.db2.gz JTJLCEWJEKQKCG-VIFPVBQESA-N -1 0 303.278 -0.005 20 0 DBADRM CCN([C@H](C)C(=O)[O-])S(=O)(=O)c1n[nH]c(C)c1C(=O)OC ZINC001573873795 1026650998 /nfs/dbraw/zinc/65/09/98/1026650998.db2.gz CPRFOWQTKJEKHH-SSDOTTSWSA-N -1 0 319.339 -0.012 20 0 DBADRM CCOC(=O)[C@H](C)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001573888293 1026653320 /nfs/dbraw/zinc/65/33/20/1026653320.db2.gz ULRMSIKGEHOTFO-ZJUUUORDSA-N -1 0 314.338 -0.375 20 0 DBADRM CN1CCn2c(CNC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)nnc2C1=O ZINC001573889390 1026653507 /nfs/dbraw/zinc/65/35/07/1026653507.db2.gz KVZWTXZITXOAGR-DTWKUNHWSA-N -1 0 321.337 -0.519 20 0 DBADRM CCOC(=O)C1(NC(=O)c2cn(CC(=O)[O-])nn2)CCCC1 ZINC001573890446 1026654294 /nfs/dbraw/zinc/65/42/94/1026654294.db2.gz HULJCXNFIWBYAS-UHFFFAOYSA-N -1 0 310.310 -0.032 20 0 DBADRM CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)CCC(=O)[O-] ZINC001573889757 1026654394 /nfs/dbraw/zinc/65/43/94/1026654394.db2.gz WMWWEGQOHYXFPR-LLVKDONJSA-N -1 0 314.363 -0.262 20 0 DBADRM CNC(=O)NCCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccncc1 ZINC001573890607 1026654410 /nfs/dbraw/zinc/65/44/10/1026654410.db2.gz UZEZPEPCHOYNAL-GHMZBOCLSA-N -1 0 310.310 -0.997 20 0 DBADRM CN1N=C(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)CCC1=O ZINC001573889706 1026654845 /nfs/dbraw/zinc/65/48/45/1026654845.db2.gz VDIMDZUDVJCJQC-RYUDHWBXSA-N -1 0 320.305 -0.707 20 0 DBADRM CNC(=O)[C@H](CCSC)NC(=O)c1cc(C(=O)[O-])no1 ZINC001573890022 1026655802 /nfs/dbraw/zinc/65/58/02/1026655802.db2.gz HYZCIIRRNPOHCE-LURJTMIESA-N -1 0 301.324 -0.030 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001573903014 1026656809 /nfs/dbraw/zinc/65/68/09/1026656809.db2.gz JMFBJYTWUKOFDN-IVZWLZJFSA-N -1 0 304.368 -0.505 20 0 DBADRM COC(=O)[C@@H](Cc1ccncc1)NS(=O)(=O)CCC(=O)[O-] ZINC001573907146 1026657210 /nfs/dbraw/zinc/65/72/10/1026657210.db2.gz MEJQLWWOYQRPDJ-SNVBAGLBSA-N -1 0 316.335 -0.440 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC001573897090 1026657478 /nfs/dbraw/zinc/65/74/78/1026657478.db2.gz YLJWAMFWHSXMKB-UHFFFAOYSA-N -1 0 310.314 -0.069 20 0 DBADRM CNC(=O)c1cccc(C(=O)NCc2[nH]cnc2C(=O)[O-])n1 ZINC001573896329 1026657895 /nfs/dbraw/zinc/65/78/95/1026657895.db2.gz KPUCZFMJYSMMMJ-UHFFFAOYSA-N -1 0 303.278 -0.208 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CC([C@@H](C)C(=O)[O-])C2)o1 ZINC001573910226 1026659386 /nfs/dbraw/zinc/65/93/86/1026659386.db2.gz IOCMWJDTRLARGP-SSDOTTSWSA-N -1 0 316.335 -0.020 20 0 DBADRM CNc1cnc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccncc2)cn1 ZINC001573910314 1026659558 /nfs/dbraw/zinc/65/95/58/1026659558.db2.gz JYHXFVDALWMXNK-NEPJUHHUSA-N -1 0 317.305 -0.170 20 0 DBADRM COC(=O)[C@H](Cc1cncs1)NCC(=O)N(C)CC(=O)[O-] ZINC001573908255 1026659567 /nfs/dbraw/zinc/65/95/67/1026659567.db2.gz VXQQYMVPHKMMPS-VIFPVBQESA-N -1 0 315.351 -0.640 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)NCc1cc(C(=O)[O-])no1 ZINC001573911120 1026659736 /nfs/dbraw/zinc/65/97/36/1026659736.db2.gz ZNZWAAFPFILMSN-UHFFFAOYSA-N -1 0 320.323 -0.009 20 0 DBADRM CNc1nc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)cs1 ZINC001573910308 1026659827 /nfs/dbraw/zinc/65/98/27/1026659827.db2.gz JUWWHTXJDVLOJK-RNFRBKRXSA-N -1 0 300.340 -0.115 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573907327 1026659962 /nfs/dbraw/zinc/65/99/62/1026659962.db2.gz NVYXIGKKPVNZPG-DJLDLDEBSA-N -1 0 301.295 -0.482 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)c2cn(CC(=O)[O-])nn2)[C@@]12CCCO2 ZINC001573911876 1026659997 /nfs/dbraw/zinc/65/99/97/1026659997.db2.gz UTSPOTZKVUROFC-WDMOLILDSA-N -1 0 324.337 -0.181 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NC2(CC(=O)[O-])COC2)co1 ZINC001573911116 1026660113 /nfs/dbraw/zinc/66/01/13/1026660113.db2.gz ZFIOEEQHMWFLPP-UHFFFAOYSA-N -1 0 318.307 -0.839 20 0 DBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H]1C ZINC001573914907 1026661462 /nfs/dbraw/zinc/66/14/62/1026661462.db2.gz QPKBLEQPGOYJJP-RNFRBKRXSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)C1(C2(O)CCN(C(=O)CNC(=O)[O-])CC2)CCC1 ZINC001573916037 1026662883 /nfs/dbraw/zinc/66/28/83/1026662883.db2.gz MPSMJDWEKJZLLL-UHFFFAOYSA-N -1 0 314.338 -0.049 20 0 DBADRM COC(=O)C1(S(=O)(=O)NC2(CC(=O)[O-])COC2)CCC1 ZINC001573916226 1026663578 /nfs/dbraw/zinc/66/35/78/1026663578.db2.gz OVRWPBHQBSBOOK-UHFFFAOYSA-N -1 0 307.324 -0.755 20 0 DBADRM COC(=O)CC1CC(NC(=O)Nc2ncn(CC(=O)[O-])n2)C1 ZINC001573915676 1026663831 /nfs/dbraw/zinc/66/38/31/1026663831.db2.gz XMHVQLSOBLTKQO-UHFFFAOYSA-N -1 0 311.298 -0.174 20 0 DBADRM COC(=O)C[C@@H](C)NS(=O)(=O)N1CCN(C(=O)[O-])CC1 ZINC001573922268 1026665445 /nfs/dbraw/zinc/66/54/45/1026665445.db2.gz JACYSHOKDPZXRH-MRVPVSSYSA-N -1 0 309.344 -0.932 20 0 DBADRM COC(=O)COc1cccc(C(=O)N[C@H](CO)CC(=O)[O-])c1 ZINC001573922376 1026665568 /nfs/dbraw/zinc/66/55/68/1026665568.db2.gz NWTVFLBJCHAAFI-JTQLQIEISA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1CC([C@H](F)C(=O)[O-])C1 ZINC001573935101 1026667043 /nfs/dbraw/zinc/66/70/43/1026667043.db2.gz LHAIKOMWTXHUHC-FKTZTGRPSA-N -1 0 318.301 -0.371 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001573935024 1026667337 /nfs/dbraw/zinc/66/73/37/1026667337.db2.gz ICNUULBQBQWTJY-XSPKLOCKSA-N -1 0 300.311 -0.720 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573928920 1026667436 /nfs/dbraw/zinc/66/74/36/1026667436.db2.gz OOJVOTKSVLYFCU-ZJUUUORDSA-N -1 0 321.399 -0.132 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CCO[C@@](C)(C(=O)[O-])C2)C[C@H]1C ZINC001573934990 1026667698 /nfs/dbraw/zinc/66/76/98/1026667698.db2.gz IUENSYWNFAMCBQ-NZHONMPCSA-N -1 0 315.322 -0.345 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C1 ZINC001573935019 1026667752 /nfs/dbraw/zinc/66/77/52/1026667752.db2.gz ICNUULBQBQWTJY-UYXSQOIJSA-N -1 0 300.311 -0.720 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCSC[C@@H]2C(=O)[O-])O1 ZINC001573930990 1026667910 /nfs/dbraw/zinc/66/79/10/1026667910.db2.gz QUEYNDNGSDLOBV-HLTSFMKQSA-N -1 0 303.336 -0.264 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C[C@H]1C ZINC001573934835 1026667959 /nfs/dbraw/zinc/66/79/59/1026667959.db2.gz CRLLOWWYXNASNC-OPRDCNLKSA-N -1 0 300.311 -0.225 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(C(=O)[O-])cnc1C ZINC001573935423 1026668845 /nfs/dbraw/zinc/66/88/45/1026668845.db2.gz PIFAWJBKYFORGF-MWLCHTKSSA-N -1 0 308.290 -0.163 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])C(C)C)n[nH]1 ZINC001573938239 1026669158 /nfs/dbraw/zinc/66/91/58/1026669158.db2.gz KGAWPUCCPPCOTF-UHFFFAOYSA-N -1 0 305.312 -0.320 20 0 DBADRM COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](O)CC(=O)[O-] ZINC001573935248 1026669262 /nfs/dbraw/zinc/66/92/62/1026669262.db2.gz MLZBAPZXVHMLHW-WDEREUQCSA-N -1 0 313.281 -0.138 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001573935707 1026669756 /nfs/dbraw/zinc/66/97/56/1026669756.db2.gz YYYLFEKQEIIYAG-ZDCRXTMVSA-N -1 0 308.290 -0.507 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNS(=O)(=O)Cc1cc(C(=O)[O-])no1 ZINC001573935342 1026669642 /nfs/dbraw/zinc/66/96/42/1026669642.db2.gz RFZADTTYQPFSEW-HTRCEHHLSA-N -1 0 318.307 -0.399 20 0 DBADRM COC(=O)c1cc(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)n(C)n1 ZINC001573935656 1026669969 /nfs/dbraw/zinc/66/99/69/1026669969.db2.gz WXVXCMPMLXEAIK-VHSKPIJISA-N -1 0 307.306 -0.001 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)C1 ZINC001573935278 1026670132 /nfs/dbraw/zinc/67/01/32/1026670132.db2.gz NLKRKLKRGYSRQM-JXUBOQSCSA-N -1 0 300.311 -0.728 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](C)C(=O)[O-])n(C)c1 ZINC001573940699 1026670295 /nfs/dbraw/zinc/67/02/95/1026670295.db2.gz MEYSEYPFPRXFMD-ZETCQYMHSA-N -1 0 304.324 -0.189 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N([C@H](C)C(=O)[O-])C2CC2)n[nH]1 ZINC001573937986 1026670306 /nfs/dbraw/zinc/67/03/06/1026670306.db2.gz HITPDXQRVCELMP-ZCFIWIBFSA-N -1 0 317.323 -0.178 20 0 DBADRM COC(=O)c1cn(C)nc1NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001573941798 1026671059 /nfs/dbraw/zinc/67/10/59/1026671059.db2.gz LKINXCRLZRCTLJ-MRVPVSSYSA-N -1 0 312.282 -0.476 20 0 DBADRM CO[C@@H](C(=O)N[C@@H](C)c1nc(C(=O)[O-])n[nH]1)c1cnn(C)c1 ZINC001573947615 1026671325 /nfs/dbraw/zinc/67/13/25/1026671325.db2.gz KVHDUPBNLWJKFL-POYBYMJQSA-N -1 0 308.298 -0.199 20 0 DBADRM COC(=O)c1cccn(CC(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c1=O ZINC001573942034 1026672197 /nfs/dbraw/zinc/67/21/97/1026672197.db2.gz NEISDWXMVHUQDL-IUCAKERBSA-N -1 0 310.306 -0.140 20 0 DBADRM COC(=O)c1cnc(CN[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)s1 ZINC001573943458 1026672235 /nfs/dbraw/zinc/67/22/35/1026672235.db2.gz WZZIHVYNHLOAQR-HTQZYQBOSA-N -1 0 315.351 -0.010 20 0 DBADRM CO[C@@H](CS(=O)(=O)NCc1[nH]cnc1C(=O)[O-])C1CC1 ZINC001573947648 1026672482 /nfs/dbraw/zinc/67/24/82/1026672482.db2.gz AEOBBLFGXOGYJU-VIFPVBQESA-N -1 0 303.340 -0.048 20 0 DBADRM CO[C@@H](C(=O)N[C@H](C)c1nc(C(=O)[O-])n[nH]1)c1cnn(C)c1 ZINC001573947614 1026672499 /nfs/dbraw/zinc/67/24/99/1026672499.db2.gz KVHDUPBNLWJKFL-HTRCEHHLSA-N -1 0 308.298 -0.199 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CCO[C@](C)(C(=O)[O-])C2)cn1 ZINC001573941419 1026672537 /nfs/dbraw/zinc/67/25/37/1026672537.db2.gz FTUUVRFTWOAQKC-ZDUSSCGKSA-N -1 0 309.278 -0.421 20 0 DBADRM CO[C@@]1(C(=O)N2CCC[C@H](NC(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001573949029 1026673137 /nfs/dbraw/zinc/67/31/37/1026673137.db2.gz MHRQURICGWCAEM-CABZTGNLSA-N -1 0 320.367 -0.551 20 0 DBADRM CO[C@@]1(C(=O)N2CC([C@H](F)C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001573949453 1026674315 /nfs/dbraw/zinc/67/43/15/1026674315.db2.gz QQFTXRKNCFAYSN-KWQFWETISA-N -1 0 309.315 -0.929 20 0 DBADRM COC[C@@H](C)OC(=O)N1CCOC[C@@H]1C(=O)NCC(=O)[O-] ZINC001573969074 1026679997 /nfs/dbraw/zinc/67/99/97/1026679997.db2.gz QFUBROMBYSQCPQ-RKDXNWHRSA-N -1 0 304.299 -0.941 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(C(=O)NC[C@@H]2CNC(=O)C2)C1 ZINC001573969273 1026680420 /nfs/dbraw/zinc/68/04/20/1026680420.db2.gz UCQMUBFIKBBRQF-IINYFYTJSA-N -1 0 313.354 -0.355 20 0 DBADRM CCn1cc(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001573971338 1026681036 /nfs/dbraw/zinc/68/10/36/1026681036.db2.gz QIBMDVHKKSPSSQ-XWEPSHTISA-N -1 0 310.310 -0.369 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)CC1 ZINC001573973711 1026681283 /nfs/dbraw/zinc/68/12/83/1026681283.db2.gz DSJFXRFHTVTHFY-RKDXNWHRSA-N -1 0 308.356 -0.945 20 0 DBADRM CCn1cccc(CNC(=O)c2cn(CC(=O)[O-])nn2)c1=O ZINC001573972214 1026681465 /nfs/dbraw/zinc/68/14/65/1026681465.db2.gz OCWGIQNBBJXXQF-UHFFFAOYSA-N -1 0 305.294 -0.526 20 0 DBADRM CCn1cnnc1NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001573972322 1026681872 /nfs/dbraw/zinc/68/18/72/1026681872.db2.gz WFBQDSVSHYDUNA-UHFFFAOYSA-N -1 0 316.339 -0.484 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)CC1 ZINC001573973709 1026681970 /nfs/dbraw/zinc/68/19/70/1026681970.db2.gz DSJFXRFHTVTHFY-DTWKUNHWSA-N -1 0 308.356 -0.945 20 0 DBADRM COC[C@H](O)CN1CCN(c2nc(C(=O)[O-])cs2)CC1 ZINC001573969772 1026681977 /nfs/dbraw/zinc/68/19/77/1026681977.db2.gz ZHFXJKTUCQYAAX-SECBINFHSA-N -1 0 301.368 -0.029 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C1=CS(=O)(=O)CCC1 ZINC001574056307 1026696163 /nfs/dbraw/zinc/69/61/63/1026696163.db2.gz YZYMNLNPOJKIEU-UHFFFAOYSA-N -1 0 319.335 -0.445 20 0 DBADRM COC[C@H](NS(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1)C(=O)[O-] ZINC001573990905 1026686325 /nfs/dbraw/zinc/68/63/25/1026686325.db2.gz NMCREJPWYXEYSQ-DCAQKATOSA-N -1 0 307.368 -0.037 20 0 DBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC001573992015 1026686510 /nfs/dbraw/zinc/68/65/10/1026686510.db2.gz BXWSPLDDLKVDCW-NXEZZACHSA-N -1 0 308.356 -0.538 20 0 DBADRM COC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-] ZINC001573985631 1026686698 /nfs/dbraw/zinc/68/66/98/1026686698.db2.gz NYDICKFUOCICQV-JTQLQIEISA-N -1 0 306.278 -0.993 20 0 DBADRM CO[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCN(C(=O)[O-])CC1 ZINC001573992281 1026687523 /nfs/dbraw/zinc/68/75/23/1026687523.db2.gz MYEWGIYCWFVKSI-NXEZZACHSA-N -1 0 307.372 -0.316 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573992375 1026688277 /nfs/dbraw/zinc/68/82/77/1026688277.db2.gz OLPKKHFWRABDDQ-UKKRHICBSA-N -1 0 317.342 -0.940 20 0 DBADRM COCc1cncc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)c1 ZINC001573993219 1026688626 /nfs/dbraw/zinc/68/86/26/1026688626.db2.gz OQYBFOIJCIFJPE-NWDGAFQWSA-N -1 0 309.322 -0.072 20 0 DBADRM COCc1n[nH]c(CNC(=O)N2CC([C@H](F)C(=O)[O-])C2)n1 ZINC001573992114 1026688802 /nfs/dbraw/zinc/68/88/02/1026688802.db2.gz BEXXEKAQVVFGCL-VIFPVBQESA-N -1 0 301.278 -0.485 20 0 DBADRM CN(Cc1c[nH]cn1)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001574016147 1026690139 /nfs/dbraw/zinc/69/01/39/1026690139.db2.gz ZDKWVESLAXDQJD-UHFFFAOYSA-N -1 0 315.351 -0.352 20 0 DBADRM COc1c[nH]c(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)cc1=O ZINC001574012330 1026690217 /nfs/dbraw/zinc/69/02/17/1026690217.db2.gz JDSHDTRCWBCKIF-CBAPKCEASA-N -1 0 311.294 -0.916 20 0 DBADRM COc1ccc([C@H](NC(=O)c2nnn(C)n2)C(=O)[O-])cc1F ZINC001574023907 1026690329 /nfs/dbraw/zinc/69/03/29/1026690329.db2.gz PPRGOKRIJRMLHP-VIFPVBQESA-N -1 0 309.257 -0.087 20 0 DBADRM COc1cc(S(=O)(=O)NC2(CC(=O)[O-])COC2)sn1 ZINC001574026701 1026690357 /nfs/dbraw/zinc/69/03/57/1026690357.db2.gz LSRAMDURLXFQSC-UHFFFAOYSA-N -1 0 308.337 -0.326 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)OC(C)(C)C ZINC001574013280 1026690532 /nfs/dbraw/zinc/69/05/32/1026690532.db2.gz XPHKTJHVSOETHZ-YUMQZZPRSA-N -1 0 302.327 -0.201 20 0 DBADRM COc1c(F)cccc1S(=O)(=O)N(CC(N)=O)CC(=O)[O-] ZINC001574012083 1026690682 /nfs/dbraw/zinc/69/06/82/1026690682.db2.gz DLCPBMTZHUDBSW-UHFFFAOYSA-N -1 0 320.298 -0.605 20 0 DBADRM CN1CCn2nc(C(=O)NCCCC(=O)[O-])cc2S1(=O)=O ZINC001574031643 1026692368 /nfs/dbraw/zinc/69/23/68/1026692368.db2.gz AMOTXLJNRJOVMS-UHFFFAOYSA-N -1 0 316.339 -0.888 20 0 DBADRM CNC(=O)CC[C@H]1CCCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001574031741 1026692860 /nfs/dbraw/zinc/69/28/60/1026692860.db2.gz FKDTWRIHSHYBNK-SNVBAGLBSA-N -1 0 323.353 -0.116 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)NC2(CC(=O)[O-])COC2)c1 ZINC001574033818 1026693176 /nfs/dbraw/zinc/69/31/76/1026693176.db2.gz DTRXCBGMLJEEQB-UHFFFAOYSA-N -1 0 317.319 -0.077 20 0 DBADRM COc1cccnc1CC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001574052537 1026694254 /nfs/dbraw/zinc/69/42/54/1026694254.db2.gz RUZUFHVYCXSRET-KOLCDFICSA-N -1 0 309.322 -0.280 20 0 DBADRM COc1ncncc1NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001574054605 1026694257 /nfs/dbraw/zinc/69/42/57/1026694257.db2.gz NDHOUTIUTQLRIE-IONNQARKSA-N -1 0 311.298 -0.423 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001574047615 1026694273 /nfs/dbraw/zinc/69/42/73/1026694273.db2.gz WHYJQLAHMDQQNH-ZDUSSCGKSA-N -1 0 301.295 -0.996 20 0 DBADRM COc1coc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)cc1=O ZINC001574054520 1026694305 /nfs/dbraw/zinc/69/43/05/1026694305.db2.gz MIFKFCJXPFXJMA-JGVFFNPUSA-N -1 0 312.278 -0.651 20 0 DBADRM COc1ncnc(OC)c1C(=O)N1CCO[C@](C)(C(=O)[O-])C1 ZINC001574053420 1026694365 /nfs/dbraw/zinc/69/43/65/1026694365.db2.gz BHCOLPAXGHBRQI-ZDUSSCGKSA-N -1 0 311.294 -0.191 20 0 DBADRM COC(=O)[C@@H](NCC(=O)NCC(=O)[O-])c1ccc(OC)cc1 ZINC001574046512 1026694375 /nfs/dbraw/zinc/69/43/75/1026694375.db2.gz LOXUUPMUHHPTJS-ZDUSSCGKSA-N -1 0 310.306 -0.300 20 0 DBADRM COc1cncc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)n1 ZINC001574052073 1026694612 /nfs/dbraw/zinc/69/46/12/1026694612.db2.gz GEYZSUPCUKFNGN-NWDGAFQWSA-N -1 0 318.289 -0.203 20 0 DBADRM COc1cccnc1CC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001574052539 1026694618 /nfs/dbraw/zinc/69/46/18/1026694618.db2.gz RUZUFHVYCXSRET-ONGXEEELSA-N -1 0 309.322 -0.280 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)[C@@H]1CCNC1=O)C[C@@H]2C(=O)[O-] ZINC001574048206 1026694628 /nfs/dbraw/zinc/69/46/28/1026694628.db2.gz YGPRBGMHFDLXOZ-NGQZXSQQSA-N -1 0 324.333 -0.765 20 0 DBADRM COc1cnc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccncc2)nc1 ZINC001574052740 1026694664 /nfs/dbraw/zinc/69/46/64/1026694664.db2.gz XDXFUOVHANYQEI-MNOVXSKESA-N -1 0 318.289 -0.203 20 0 DBADRM COc1nn(C)cc1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001574055130 1026694826 /nfs/dbraw/zinc/69/48/26/1026694826.db2.gz RAAKPQDHNSFGQH-VIFPVBQESA-N -1 0 318.355 -0.688 20 0 DBADRM COc1cnc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)c(F)c1 ZINC001574052271 1026695247 /nfs/dbraw/zinc/69/52/47/1026695247.db2.gz KDDGEQULODHDGB-XVKPBYJWSA-N -1 0 313.285 -0.070 20 0 DBADRM C[S@@](=N)(=O)N1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC001574057529 1026696508 /nfs/dbraw/zinc/69/65/08/1026696508.db2.gz PLMSPKWBJBSDEQ-BTKVJGODSA-N -1 0 319.387 -0.343 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1cnn2ccncc12 ZINC001574055464 1026696587 /nfs/dbraw/zinc/69/65/87/1026696587.db2.gz AAPGLTILENMWDX-UHFFFAOYSA-N -1 0 306.278 -0.181 20 0 DBADRM CS(=O)(=O)C1(C(=O)[O-])CCN(C(=O)C2CCOCC2)CC1 ZINC001574057175 1026696753 /nfs/dbraw/zinc/69/67/53/1026696753.db2.gz IDWXVXDXFATIOJ-UHFFFAOYSA-N -1 0 319.379 -0.097 20 0 DBADRM CS(=O)(=O)C1(C(=O)[O-])CCN(C(=O)c2ccnnc2)CC1 ZINC001574056673 1026696887 /nfs/dbraw/zinc/69/68/87/1026696887.db2.gz DDDXKAOOSUEMPV-UHFFFAOYSA-N -1 0 313.335 -0.419 20 0 DBADRM C[S@@](=N)(=O)N1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC001574057318 1026696931 /nfs/dbraw/zinc/69/69/31/1026696931.db2.gz KUBLHCXYTVSZKF-SFHVURJKSA-N -1 0 313.401 -0.610 20 0 DBADRM C[S@](=N)(=O)N1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC001574057528 1026697025 /nfs/dbraw/zinc/69/70/25/1026697025.db2.gz PLMSPKWBJBSDEQ-AOUSDQRYSA-N -1 0 319.387 -0.343 20 0 DBADRM CS(=O)(=O)C1(C(=O)NCc2cc(C(=O)[O-])no2)CCC1 ZINC001574057706 1026698095 /nfs/dbraw/zinc/69/80/95/1026698095.db2.gz WKBDHPUCGJMQNR-UHFFFAOYSA-N -1 0 302.308 -0.044 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1 ZINC001574059283 1026698359 /nfs/dbraw/zinc/69/83/59/1026698359.db2.gz GXQSYLFIUOLNIN-SFGNSQDASA-N -1 0 302.352 -0.658 20 0 DBADRM CS(=O)(=O)c1ccc(N[C@H]2CN(C(=O)[O-])C[C@H]2CO)nc1 ZINC001574059561 1026698579 /nfs/dbraw/zinc/69/85/79/1026698579.db2.gz OHXIWBIONSRETE-WPRPVWTQSA-N -1 0 315.351 -0.132 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001574057758 1026698733 /nfs/dbraw/zinc/69/87/33/1026698733.db2.gz YGKBGEHSRYSBBW-QWRGUYRKSA-N -1 0 316.335 -0.881 20 0 DBADRM CS(=O)(=O)Nc1ccc(NC(=O)[C@H](O)CC(=O)[O-])cc1 ZINC001574059235 1026698821 /nfs/dbraw/zinc/69/88/21/1026698821.db2.gz FITSGJIXDJLGQF-SECBINFHSA-N -1 0 302.308 -0.168 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC001574059067 1026698851 /nfs/dbraw/zinc/69/88/51/1026698851.db2.gz BUGCUEGGSBPYPS-AOUSDQRYSA-N -1 0 316.379 -0.663 20 0 DBADRM CS(=O)(=O)c1ccc(CN[C@H]2CN(C(=O)[O-])C[C@H]2CO)o1 ZINC001574059356 1026698931 /nfs/dbraw/zinc/69/89/31/1026698931.db2.gz IRJWCONTRPMRMN-WPRPVWTQSA-N -1 0 318.351 -0.257 20 0 DBADRM COC(=O)CCN(C[C@H]1CCCO1)C(=O)[C@H](OC)C(=O)[O-] ZINC001574061736 1026700058 /nfs/dbraw/zinc/70/00/58/1026700058.db2.gz QOANBLZLSKYOAW-KOLCDFICSA-N -1 0 303.311 -0.343 20 0 DBADRM CS(=O)(=O)Nc1cccc(CNC(=O)[C@H](O)CC(=O)[O-])c1 ZINC001574060126 1026700494 /nfs/dbraw/zinc/70/04/94/1026700494.db2.gz YLDVLGINEJAOOC-SNVBAGLBSA-N -1 0 316.335 -0.490 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC001574060113 1026700593 /nfs/dbraw/zinc/70/05/93/1026700593.db2.gz YCTRYOYQHCZESI-AOUSDQRYSA-N -1 0 317.363 -0.236 20 0 DBADRM CC(C)[C@@H](F)C(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001574064069 1026701041 /nfs/dbraw/zinc/70/10/41/1026701041.db2.gz HTLGTTMESCHNPJ-SNVBAGLBSA-N -1 0 322.348 -0.057 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1conc1C)C(=O)[O-] ZINC001574065983 1026701248 /nfs/dbraw/zinc/70/12/48/1026701248.db2.gz HLTTWNQRXDPAIM-ZETCQYMHSA-N -1 0 306.296 -0.332 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-] ZINC001574063457 1026701421 /nfs/dbraw/zinc/70/14/21/1026701421.db2.gz PQTPNJCMCXXICZ-QMMMGPOBSA-N -1 0 312.278 -0.063 20 0 DBADRM CS(=O)(=O)c1ncnn1CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001574059724 1026701504 /nfs/dbraw/zinc/70/15/04/1026701504.db2.gz QGEWNNGKSHMIRZ-MRVPVSSYSA-N -1 0 316.339 -0.995 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C(=O)[O-])C(C)C ZINC001574077523 1026702681 /nfs/dbraw/zinc/70/26/81/1026702681.db2.gz USMVDEWMBPFJNW-XHNCKOQMSA-N -1 0 302.327 -0.474 20 0 DBADRM CSC[C@H](NC(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O)C(=O)[O-] ZINC001574096204 1026702769 /nfs/dbraw/zinc/70/27/69/1026702769.db2.gz BFOBLVJEVKLLKB-YEPSODPASA-N -1 0 304.368 -0.806 20 0 DBADRM COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)COCC(=O)[O-] ZINC001574082087 1026702804 /nfs/dbraw/zinc/70/28/04/1026702804.db2.gz UNXFPURHSIWQLT-UHFFFAOYSA-N -1 0 314.250 -0.372 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001574096349 1026703337 /nfs/dbraw/zinc/70/33/37/1026703337.db2.gz IFQSBXKRRZBRBR-XFWSIPNHSA-N -1 0 315.395 -0.045 20 0 DBADRM C[C@@H]1CN(Cc2nc(C(=O)[O-])no2)C[C@H]1CS(N)(=O)=O ZINC001574104715 1026704301 /nfs/dbraw/zinc/70/43/01/1026704301.db2.gz IZQCNHWDFMTHOM-RQJHMYQMSA-N -1 0 304.328 -0.876 20 0 DBADRM C[C@@H]1[C@H](NC(=O)Nc2nn(C)cc2C(=O)[O-])CCS1(=O)=O ZINC001574105014 1026704464 /nfs/dbraw/zinc/70/44/64/1026704464.db2.gz VVJZWOHFKGYXDR-HTRCEHHLSA-N -1 0 316.339 -0.185 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001574097933 1026705223 /nfs/dbraw/zinc/70/52/23/1026705223.db2.gz VFWVZBPIEYVDDP-MRVPVSSYSA-N -1 0 303.340 -0.287 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC001574100108 1026705303 /nfs/dbraw/zinc/70/53/03/1026705303.db2.gz BUMZXJYWLGTBKA-HGNGGELXSA-N -1 0 310.310 -0.870 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001574099304 1026706039 /nfs/dbraw/zinc/70/60/39/1026706039.db2.gz WPLOETWGZZEUEI-BFHDXFOESA-N -1 0 320.342 -0.788 20 0 DBADRM Cc1[nH]c(C(=O)N2CC(S(N)(=O)=O)C2)c(C)c1C(=O)[O-] ZINC001574111497 1026707148 /nfs/dbraw/zinc/70/71/48/1026707148.db2.gz FIVOPSYHMILKQV-UHFFFAOYSA-N -1 0 301.324 -0.557 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H]1CCOC[C@H]1Nc1ccnc(C)n1 ZINC001574107068 1026707269 /nfs/dbraw/zinc/70/72/69/1026707269.db2.gz ZGGAZJQLRFFTCS-UMNHJUIQSA-N -1 0 324.337 -0.430 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC001574107046 1026707943 /nfs/dbraw/zinc/70/79/43/1026707943.db2.gz YLEUHWHNHIUQFF-UWVGGRQHSA-N -1 0 321.289 -0.525 20 0 DBADRM Cc1n[nH]c(CN2CCO[C@@H](CS(C)(=O)=O)C2)c1C(=O)[O-] ZINC001574114794 1026709155 /nfs/dbraw/zinc/70/91/55/1026709155.db2.gz YOFBENNCDQFCBM-SECBINFHSA-N -1 0 317.367 -0.338 20 0 DBADRM COC1([C@@H](C)NC(=O)c2cn(CC(=O)[O-])nn2)CCOCC1 ZINC001574121852 1026709231 /nfs/dbraw/zinc/70/92/31/1026709231.db2.gz WUGHLRCCOZNVRL-SECBINFHSA-N -1 0 312.326 -0.323 20 0 DBADRM COC(CNC(=O)[C@H]1CC(C(=O)[O-])=NO1)(OC)c1ccccn1 ZINC001574122135 1026709439 /nfs/dbraw/zinc/70/94/39/1026709439.db2.gz XMKKOMBDOUOLNH-SNVBAGLBSA-N -1 0 323.305 -0.127 20 0 DBADRM Cc1cc(COCC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)no1 ZINC001574134521 1026710747 /nfs/dbraw/zinc/71/07/47/1026710747.db2.gz LWZRKZFMQGCELY-GXSJLCMTSA-N -1 0 313.310 -0.413 20 0 DBADRM Cc1cc(COCC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])no1 ZINC001574135918 1026710883 /nfs/dbraw/zinc/71/08/83/1026710883.db2.gz VRMPASYDVOFKDT-RKDXNWHRSA-N -1 0 313.310 -0.406 20 0 DBADRM Cc1cc(CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)ncn1 ZINC001574135399 1026711781 /nfs/dbraw/zinc/71/17/81/1026711781.db2.gz SVNLUXDKQBDGFK-MWLCHTKSSA-N -1 0 309.326 -0.445 20 0 DBADRM COC[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)[C@H]1CCCOC1 ZINC001574130568 1026712213 /nfs/dbraw/zinc/71/22/13/1026712213.db2.gz OFWIVPULLJWOHG-ONGXEEELSA-N -1 0 312.326 -0.466 20 0 DBADRM Cc1cc(NC(=O)c2cn(C)c(=O)[nH]c2=O)n(CC(=O)[O-])n1 ZINC001574143364 1026713907 /nfs/dbraw/zinc/71/39/07/1026713907.db2.gz CNSUERJWVVNJPO-UHFFFAOYSA-N -1 0 307.266 -0.672 20 0 DBADRM Cc1cc(NC(=O)C2=C3CCCN=C3NN2)n(CC(=O)[O-])n1 ZINC001574144090 1026714342 /nfs/dbraw/zinc/71/43/42/1026714342.db2.gz JQHHZQRGVKRELO-UHFFFAOYSA-N -1 0 304.310 -0.231 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2ccnc(OC)n2)CCO1 ZINC001574147083 1026715556 /nfs/dbraw/zinc/71/55/56/1026715556.db2.gz RKLSBKGECAXBNM-CYBMUJFWSA-N -1 0 311.294 -0.573 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCC[C@@H]1CNC(=O)C1 ZINC001574157078 1026716232 /nfs/dbraw/zinc/71/62/32/1026716232.db2.gz HEIGJQJCKCMLFU-JTQLQIEISA-N -1 0 301.343 -0.355 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CCO1 ZINC001574147040 1026716879 /nfs/dbraw/zinc/71/68/79/1026716879.db2.gz QORHVYAFCPOSKT-UEKVPHQBSA-N -1 0 323.349 -0.148 20 0 DBADRM Cc1conc1CNS(=O)(=O)N1CCN(C(=O)[O-])CC1 ZINC001574178741 1026717393 /nfs/dbraw/zinc/71/73/93/1026717393.db2.gz CBROQWHFZRPZJA-UHFFFAOYSA-N -1 0 304.328 -0.387 20 0 DBADRM Cc1nnc(CC(=O)N2CCC[C@H]2c2n[nH]nc2C(=O)[O-])[nH]1 ZINC001574178619 1026717915 /nfs/dbraw/zinc/71/79/15/1026717915.db2.gz KKZIWJDDDFQMIA-ZETCQYMHSA-N -1 0 305.298 -0.164 20 0 DBADRM Cc1cnn(CC(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccncc2)c1 ZINC001574179378 1026718010 /nfs/dbraw/zinc/71/80/10/1026718010.db2.gz IGNUKJDEOJXOIV-QWHCGFSZSA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1cnc(COCC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)o1 ZINC001574172541 1026718077 /nfs/dbraw/zinc/71/80/77/1026718077.db2.gz GCRJZPAOADWBFB-NXEZZACHSA-N -1 0 313.310 -0.413 20 0 DBADRM COCc1noc(CN(CCNC(C)=O)[C@@H](C)C(=O)[O-])n1 ZINC001574168852 1026718357 /nfs/dbraw/zinc/71/83/57/1026718357.db2.gz JTCBUEYFFXEESX-QMMMGPOBSA-N -1 0 300.315 -0.373 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCC3(COC3)C2)c1C(=O)[O-] ZINC001574178762 1026718468 /nfs/dbraw/zinc/71/84/68/1026718468.db2.gz NWSFANDKORYQLF-UHFFFAOYSA-N -1 0 301.324 -0.173 20 0 DBADRM COCCOCCCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001574164684 1026718528 /nfs/dbraw/zinc/71/85/28/1026718528.db2.gz PFSGCNDRSQWVSY-UHFFFAOYSA-N -1 0 312.322 -0.284 20 0 DBADRM Cc1cncc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC001574179836 1026718617 /nfs/dbraw/zinc/71/86/17/1026718617.db2.gz KDNCTJWPLXRMSZ-IUCAKERBSA-N -1 0 315.351 -0.354 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001574173752 1026718721 /nfs/dbraw/zinc/71/87/21/1026718721.db2.gz ZBGZYSSUBDCDNO-QWHCGFSZSA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1nc(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)nn1-c1nc[nH]n1 ZINC001574182359 1026719637 /nfs/dbraw/zinc/71/96/37/1026719637.db2.gz MTKRNMISVDHHHT-HRDYMLBCSA-N -1 0 317.309 -0.513 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H]2C(=O)NCC[C@H]2C)c1C(=O)[O-] ZINC001574182722 1026719695 /nfs/dbraw/zinc/71/96/95/1026719695.db2.gz RIHMOGQPPBWJOM-SVGQVSJJSA-N -1 0 316.339 -0.781 20 0 DBADRM Cc1nc(C)c(C(=O)N2CCOC[C@H]2C(=O)NCC(=O)[O-])[nH]1 ZINC001574181625 1026720015 /nfs/dbraw/zinc/72/00/15/1026720015.db2.gz CFHYESGBBJWNBH-VIFPVBQESA-N -1 0 310.310 -0.932 20 0 DBADRM Cc1nc(CS(=O)(=O)N[C@H](C(=O)[O-])C2CCOCC2)no1 ZINC001574187167 1026720355 /nfs/dbraw/zinc/72/03/55/1026720355.db2.gz CBQWPFUNBAMIDU-JTQLQIEISA-N -1 0 319.339 -0.323 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H](C)c2ncnn2C)c1C(=O)[O-] ZINC001574182661 1026720942 /nfs/dbraw/zinc/72/09/42/1026720942.db2.gz QHQJXFSFZDMPIT-LURJTMIESA-N -1 0 314.327 -0.416 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)NC1(CC(=O)[O-])COC1 ZINC001574197948 1026721361 /nfs/dbraw/zinc/72/13/61/1026721361.db2.gz IOOHJYCTKMPQJR-UHFFFAOYSA-N -1 0 303.340 -0.441 20 0 DBADRM COc1cc(OC)cc([C@@H](O)CNC(=O)[C@@H](OC)C(=O)[O-])c1 ZINC001574188298 1026721779 /nfs/dbraw/zinc/72/17/79/1026721779.db2.gz VBAGBWOPDUXJRW-NWDGAFQWSA-N -1 0 313.306 -0.047 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)s1 ZINC001574192270 1026721842 /nfs/dbraw/zinc/72/18/42/1026721842.db2.gz PYWVOMXGPYAYPY-JGVFFNPUSA-N -1 0 321.380 -0.299 20 0 DBADRM Cc1ncc(C(=O)[O-])cc1NC(=O)C1CN(S(C)(=O)=O)C1 ZINC001574191664 1026722812 /nfs/dbraw/zinc/72/28/12/1026722812.db2.gz MIYHDUYMGZCEIQ-UHFFFAOYSA-N -1 0 313.335 -0.082 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)s1 ZINC001574192272 1026722838 /nfs/dbraw/zinc/72/28/38/1026722838.db2.gz PYWVOMXGPYAYPY-YUMQZZPRSA-N -1 0 321.380 -0.299 20 0 DBADRM Cc1ncc(C(=O)[O-])cc1C(=O)NC[C@H](O)CS(C)(=O)=O ZINC001574192541 1026722863 /nfs/dbraw/zinc/72/28/63/1026722863.db2.gz LZHUSSUGECJZOF-VIFPVBQESA-N -1 0 316.335 -0.776 20 0 DBADRM Cc1ncc(C(=O)[O-])cc1C(=O)N1CCOC[C@H]1CC(N)=O ZINC001574193249 1026723108 /nfs/dbraw/zinc/72/31/08/1026723108.db2.gz SHWOJSIMWNUVDC-SNVBAGLBSA-N -1 0 307.306 -0.195 20 0 DBADRM Cc1nonc1C(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001574204430 1026723818 /nfs/dbraw/zinc/72/38/18/1026723818.db2.gz AOSZFHZNESJHNM-FQEVSTJZSA-N -1 0 301.324 -0.184 20 0 DBADRM Cc1nnc(N2CCN(C(=O)[O-])CC2)n1CC(=O)NC(C)C ZINC001574200755 1026724541 /nfs/dbraw/zinc/72/45/41/1026724541.db2.gz OSVRUQRNEJWRLP-UHFFFAOYSA-N -1 0 310.358 -0.089 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)NC2CN(c3ccncn3)C2)n1 ZINC001574211487 1026725756 /nfs/dbraw/zinc/72/57/56/1026725756.db2.gz JDJWBCCULXYKLM-UHFFFAOYSA-N -1 0 317.309 -0.081 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001574209914 1026725821 /nfs/dbraw/zinc/72/58/21/1026725821.db2.gz STOFWLIDDJCFEI-MRVPVSSYSA-N -1 0 307.310 -0.043 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)N1CC2(C1)CCNC(=O)O2 ZINC001574208313 1026725862 /nfs/dbraw/zinc/72/58/62/1026725862.db2.gz APZGOSCVLKWPRR-UHFFFAOYSA-N -1 0 309.282 -0.166 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2CCC(CO)(CO)CC2)n1 ZINC001574211333 1026725923 /nfs/dbraw/zinc/72/59/23/1026725923.db2.gz GBCBHGHSLGVEQU-UHFFFAOYSA-N -1 0 312.326 -0.283 20 0 DBADRM Cn1c2nc(Cl)n(C[C@@H]3C[C@H]3C(=O)[O-])c2c(=O)n(C)c1=O ZINC001574208564 1026726722 /nfs/dbraw/zinc/72/67/22/1026726722.db2.gz HMCBOXNPPTVCFD-NTSWFWBYSA-N -1 0 312.713 -0.192 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001574209072 1026726762 /nfs/dbraw/zinc/72/67/62/1026726762.db2.gz MRUHWUSNEUWIAD-SLGCYQGISA-N -1 0 312.326 -0.096 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001574207838 1026726802 /nfs/dbraw/zinc/72/68/02/1026726802.db2.gz CQXUYVSAGZQMPD-YUMQZZPRSA-N -1 0 319.339 -0.134 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)NCCC1CS(=O)(=O)C1 ZINC001574209081 1026727005 /nfs/dbraw/zinc/72/70/05/1026727005.db2.gz MTVXBSVFICRUSL-UHFFFAOYSA-N -1 0 316.339 -0.326 20 0 DBADRM Cn1cc([C@H](O)C(=O)N2CC[C@@H](c3n[nH]cc3C(=O)[O-])C2)cn1 ZINC001574213091 1026728107 /nfs/dbraw/zinc/72/81/07/1026728107.db2.gz WBHMKAKCLLSNRF-PELKAZGASA-N -1 0 319.321 -0.109 20 0 DBADRM Cn1cc(CCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccncc2)nn1 ZINC001574212428 1026728330 /nfs/dbraw/zinc/72/83/30/1026728330.db2.gz MNGYEPANKNNUKO-CHWSQXEVSA-N -1 0 319.321 -0.554 20 0 DBADRM Cn1cc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)ccc1=O ZINC001574220006 1026728760 /nfs/dbraw/zinc/72/87/60/1026728760.db2.gz IWVHBTHNWYUTGO-WCBMZHEXSA-N -1 0 310.310 -0.523 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)NC[C@H](O)c2ccnn2C)n1 ZINC001574212321 1026728886 /nfs/dbraw/zinc/72/88/86/1026728886.db2.gz SZYRFBHUUJASCX-VIFPVBQESA-N -1 0 308.298 -0.293 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)cn1 ZINC001574212838 1026728918 /nfs/dbraw/zinc/72/89/18/1026728918.db2.gz UEDVAQDQQSNCSJ-WOPDTQHZSA-N -1 0 320.305 -0.849 20 0 DBADRM Cn1cc(C[C@H](CO)NS(=O)(=O)C2(C(=O)[O-])CCC2)cn1 ZINC001574213058 1026729043 /nfs/dbraw/zinc/72/90/43/1026729043.db2.gz UYUJSPNZYBBAOQ-SNVBAGLBSA-N -1 0 317.367 -0.750 20 0 DBADRM Cn1cnc(CCNC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)c1 ZINC001574221747 1026730097 /nfs/dbraw/zinc/73/00/97/1026730097.db2.gz XXNXKSARLPZIOB-KOLCDFICSA-N -1 0 311.342 -0.768 20 0 DBADRM Cn1cnnc1COCC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001574221757 1026730321 /nfs/dbraw/zinc/73/03/21/1026730321.db2.gz YFTPPAGSJVZLDY-VHSXEESVSA-N -1 0 312.326 -0.530 20 0 DBADRM Cn1ccc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccncc2)cc1=O ZINC001574224109 1026730344 /nfs/dbraw/zinc/73/03/44/1026730344.db2.gz CVWYGVRWUDUXQN-CHWSQXEVSA-N -1 0 317.301 -0.303 20 0 DBADRM Cn1cnnc1COCC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001574221758 1026730929 /nfs/dbraw/zinc/73/09/29/1026730929.db2.gz YFTPPAGSJVZLDY-ZJUUUORDSA-N -1 0 312.326 -0.530 20 0 DBADRM Cn1cnc2cncc(C(=O)N[C@@H]3CN(C(=O)[O-])C[C@H]3CO)c21 ZINC001574221736 1026731119 /nfs/dbraw/zinc/73/11/19/1026731119.db2.gz XRMHGVREIPXHEC-GZMMTYOYSA-N -1 0 319.321 -0.331 20 0 DBADRM Cn1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccncc2)cc1=O ZINC001574224112 1026731270 /nfs/dbraw/zinc/73/12/70/1026731270.db2.gz CVWYGVRWUDUXQN-STQMWFEESA-N -1 0 317.301 -0.303 20 0 DBADRM Cn1cnnc1COCC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001574221755 1026731529 /nfs/dbraw/zinc/73/15/29/1026731529.db2.gz YFTPPAGSJVZLDY-NXEZZACHSA-N -1 0 312.326 -0.530 20 0 DBADRM Cn1cnc2cncc(C(=O)N[C@H]3CN(C(=O)[O-])C[C@H]3CO)c21 ZINC001574221738 1026731786 /nfs/dbraw/zinc/73/17/86/1026731786.db2.gz XRMHGVREIPXHEC-KWQFWETISA-N -1 0 319.321 -0.331 20 0 DBADRM Cn1cnnc1S(=O)(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-] ZINC001574220391 1026732006 /nfs/dbraw/zinc/73/20/06/1026732006.db2.gz BWKFMXWCSFKZIT-MRVPVSSYSA-N -1 0 320.371 -0.248 20 0 DBADRM Cn1nccc1CN1CCN(S(=O)(=O)CCC(=O)[O-])CC1 ZINC001574228755 1026732369 /nfs/dbraw/zinc/73/23/69/1026732369.db2.gz OWJHSONVBWKTEI-UHFFFAOYSA-N -1 0 316.383 -0.658 20 0 DBADRM Cn1nccc1[C@H](O)CNC(=O)Nc1ncc(C(=O)[O-])n1C ZINC001574229298 1026732765 /nfs/dbraw/zinc/73/27/65/1026732765.db2.gz YWXUQLQJLSQPGS-SECBINFHSA-N -1 0 308.298 -0.293 20 0 DBADRM Cn1ncc(C(=O)N2CCC(C(=O)[O-])([S@@](C)=O)CC2)c1N ZINC001574226480 1026733494 /nfs/dbraw/zinc/73/34/94/1026733494.db2.gz HPILNKOHUNYGIW-OAQYLSRUSA-N -1 0 314.367 -0.560 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(C(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC001574247911 1026734507 /nfs/dbraw/zinc/73/45/07/1026734507.db2.gz IGCGTJBOQXTDMV-JTQLQIEISA-N -1 0 316.379 -0.195 20 0 DBADRM COc1ccnc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC001574238069 1026734680 /nfs/dbraw/zinc/73/46/80/1026734680.db2.gz HCMRFLRAFBNLDK-NSHDSACASA-N -1 0 315.351 -0.026 20 0 DBADRM NC(=O)[C@@H]1CC[C@H]1C(=O)N1CC[C@@H](c2n[nH]cc2C(=O)[O-])C1 ZINC001574247999 1026735897 /nfs/dbraw/zinc/73/58/97/1026735897.db2.gz HSAZVEJQNOJTME-IWSPIJDZSA-N -1 0 306.322 -0.065 20 0 DBADRM NC(=O)[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1ccccn1 ZINC001574248467 1026737790 /nfs/dbraw/zinc/73/77/90/1026737790.db2.gz KBCOSHPCRIBCQA-GXFFZTMASA-N -1 0 320.349 -0.479 20 0 DBADRM NC(=O)[C@@H](CNC(=O)[C@@H](O)CC(=O)[O-])Cc1ccc(F)cc1 ZINC001574249519 1026738133 /nfs/dbraw/zinc/73/81/33/1026738133.db2.gz WUDFINWLJQHPLQ-KOLCDFICSA-N -1 0 312.297 -0.579 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)c1ccnc(-c2ccccn2)n1 ZINC001574254785 1026739449 /nfs/dbraw/zinc/73/94/49/1026739449.db2.gz HLCFPGSQMKTNIN-UHFFFAOYSA-N -1 0 315.289 -0.449 20 0 DBADRM NC(=O)CN(C(=O)C1CCN(C(=O)[O-])CC1)C1CCOCC1 ZINC001574254948 1026739563 /nfs/dbraw/zinc/73/95/63/1026739563.db2.gz MPPIZDBBXBOJNL-UHFFFAOYSA-N -1 0 313.354 -0.131 20 0 DBADRM C[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)C(=O)[O-] ZINC001574259400 1026741646 /nfs/dbraw/zinc/74/16/46/1026741646.db2.gz IXHOJHMLIJGKNP-XCBNKYQSSA-N -1 0 305.290 -0.284 20 0 DBADRM NC(=O)c1cc(NC2CN(c3ccc(C(=O)[O-])cn3)C2)ncn1 ZINC001574260224 1026742221 /nfs/dbraw/zinc/74/22/21/1026742221.db2.gz XDQAVXZISWSTEF-UHFFFAOYSA-N -1 0 314.305 -0.031 20 0 DBADRM NC(=O)c1ccc(OCC(=O)NC2(CC(=O)[O-])COC2)cc1 ZINC001574259245 1026742635 /nfs/dbraw/zinc/74/26/35/1026742635.db2.gz JKZVTWUUUJMXHH-UHFFFAOYSA-N -1 0 308.290 -0.476 20 0 DBADRM NC(=O)c1csc(CNC(=O)[C@@H]2CSCN2C(=O)[O-])n1 ZINC001574260264 1026742747 /nfs/dbraw/zinc/74/27/47/1026742747.db2.gz YUYBMIBVEOAYQN-LURJTMIESA-N -1 0 316.364 -0.089 20 0 DBADRM NC(=O)N1CC[C@@H](CNS(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001574257315 1026742834 /nfs/dbraw/zinc/74/28/34/1026742834.db2.gz WJOBEPRABZNVAD-QMMMGPOBSA-N -1 0 305.356 -0.686 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2CC([C@@H](F)C(=O)[O-])C2)cn1 ZINC001574258969 1026742991 /nfs/dbraw/zinc/74/29/91/1026742991.db2.gz FLNRIWDBPSLQKF-SNVBAGLBSA-N -1 0 310.285 -0.255 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(n2cnc(C(=O)[O-])c2N)CC1 ZINC001574256445 1026743226 /nfs/dbraw/zinc/74/32/26/1026743226.db2.gz DQFVSFZADRUJRO-BDAKNGLRSA-N -1 0 321.337 -0.552 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)O1 ZINC001574257509 1026743365 /nfs/dbraw/zinc/74/33/65/1026743365.db2.gz ZTJYJKAJGXYRQG-NWDGAFQWSA-N -1 0 318.329 -0.242 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)CC2(C(=O)[O-])CCOCC2)CC1 ZINC001574279382 1026745781 /nfs/dbraw/zinc/74/57/81/1026745781.db2.gz BFCXYVDBNJPPSJ-UHFFFAOYSA-N -1 0 320.367 -0.805 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC2(CC(=O)[O-])COC2)cc1 ZINC001574279751 1026746712 /nfs/dbraw/zinc/74/67/12/1026746712.db2.gz HFLYSKWETTZQQF-UHFFFAOYSA-N -1 0 314.319 -0.693 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCCN1Cc1nc(C(=O)[O-])no1 ZINC001574279522 1026746729 /nfs/dbraw/zinc/74/67/29/1026746729.db2.gz DQILVVQXNGJQDF-ZETCQYMHSA-N -1 0 304.328 -0.589 20 0 DBADRM NS(=O)(=O)c1ccsc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001574280401 1026747443 /nfs/dbraw/zinc/74/74/43/1026747443.db2.gz NDRBPNKXEUCDSX-ZCFIWIBFSA-N -1 0 304.349 -0.058 20 0 DBADRM NS(=O)(=O)c1sccc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001574280364 1026747582 /nfs/dbraw/zinc/74/75/82/1026747582.db2.gz LXOGEMYEEZGZFQ-ZCFIWIBFSA-N -1 0 304.349 -0.058 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCCN1Cc1nc(C(=O)[O-])no1 ZINC001574279520 1026748526 /nfs/dbraw/zinc/74/85/26/1026748526.db2.gz DQILVVQXNGJQDF-SSDOTTSWSA-N -1 0 304.328 -0.589 20 0 DBADRM Nc1ccnn1CC(=O)N1CCC[C@H]1c1n[nH]nc1C(=O)[O-] ZINC001574291520 1026749166 /nfs/dbraw/zinc/74/91/66/1026749166.db2.gz IWUTUOQPKXKEGP-ZETCQYMHSA-N -1 0 305.298 -0.355 20 0 DBADRM Nc1nnc(CC(=O)N[C@@H](C(=O)[O-])C2CCOCC2)s1 ZINC001574291269 1026749608 /nfs/dbraw/zinc/74/96/08/1026749608.db2.gz FEBRZQKDWHUPOS-SECBINFHSA-N -1 0 300.340 -0.341 20 0 DBADRM Nc1ncc(S(=O)(=O)N2CCCN(C(=O)[O-])CC2)cn1 ZINC001574292220 1026750623 /nfs/dbraw/zinc/75/06/23/1026750623.db2.gz XNDSBXAIAMINPC-UHFFFAOYSA-N -1 0 301.328 -0.567 20 0 DBADRM Nc1nnn(CC(=O)N2C[C@H](C(=O)[O-])Cc3cc(F)ccc32)n1 ZINC001574291583 1026751577 /nfs/dbraw/zinc/75/15/77/1026751577.db2.gz JXUBGBIOGAXTGF-MRVPVSSYSA-N -1 0 320.284 -0.316 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)CC2CS(=O)(=O)C2)cn1 ZINC001574294230 1026752293 /nfs/dbraw/zinc/75/22/93/1026752293.db2.gz ZYUXBPFOVUOZOT-UHFFFAOYSA-N -1 0 301.324 -0.868 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCn1cncn1)[C@@H](O)c1ccncc1 ZINC001574299524 1026752454 /nfs/dbraw/zinc/75/24/54/1026752454.db2.gz MSRJEIVMCYMHNA-NEPJUHHUSA-N -1 0 305.294 -0.634 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@@H]1CCNC1=O)[C@@H](O)c1ccncc1 ZINC001574293573 1026752544 /nfs/dbraw/zinc/75/25/44/1026752544.db2.gz KZVWOTQMWPETPC-DLOVCJGASA-N -1 0 307.306 -0.789 20 0 DBADRM O=C([O-])[C@H]1CCC[N@H+](CC(=O)NCc2nc([O-])cc(=O)[nH]2)C1 ZINC001574299914 1026752666 /nfs/dbraw/zinc/75/26/66/1026752666.db2.gz WEVVGNDHJKUPDZ-QMMMGPOBSA-N -1 0 310.310 -0.699 20 0 DBADRM O=C([O-])C1CCC(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001574294212 1026753106 /nfs/dbraw/zinc/75/31/06/1026753106.db2.gz YSNTWGOCQHXXJH-JPPWEJMLSA-N -1 0 319.379 -0.458 20 0 DBADRM O=C([O-])c1nc[nH]c1CNC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001574294129 1026753307 /nfs/dbraw/zinc/75/33/07/1026753307.db2.gz VEBLNYBFUWXYPG-QMMMGPOBSA-N -1 0 315.351 -0.061 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@@H]1COC(=O)C1)[C@H](O)c1ccncc1 ZINC001574293765 1026753986 /nfs/dbraw/zinc/75/39/86/1026753986.db2.gz OFUIVIBVLXGWQB-AQUOVQTQSA-N -1 0 308.290 -0.362 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CNCC(F)(F)F)[C@H](O)c1ccncc1 ZINC001574300702 1026754526 /nfs/dbraw/zinc/75/45/26/1026754526.db2.gz VSWRPUJVINNGSO-VHSXEESVSA-N -1 0 321.255 -0.164 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCOC1=O)[C@@H](O)c1ccncc1 ZINC001574300152 1026754639 /nfs/dbraw/zinc/75/46/39/1026754639.db2.gz DSLHESDYVIZNIN-MNOVXSKESA-N -1 0 309.278 -0.863 20 0 DBADRM O=C([O-])c1ccc(N2CC(NC(=O)CN3CCOC3=O)C2)nc1 ZINC001574300565 1026754760 /nfs/dbraw/zinc/75/47/60/1026754760.db2.gz ORECZJBXKLKRSD-UHFFFAOYSA-N -1 0 320.305 -0.463 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)Cc1nc2ncccn2n1 ZINC001574301893 1026754952 /nfs/dbraw/zinc/75/49/52/1026754952.db2.gz MLSFUKOEQAOWFT-UWVGGRQHSA-N -1 0 319.321 -0.195 20 0 DBADRM O=C([O-])[C@H](NC(=O)CC1C(=O)N=CNC1=O)[C@@H]1CCCOC1 ZINC001574302706 1026755076 /nfs/dbraw/zinc/75/50/76/1026755076.db2.gz MTFBFYLZQLARSE-GMSGAONNSA-N -1 0 311.294 -0.574 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)Cc2nnc(C3CC3)[nH]2)cn1 ZINC001574301671 1026755200 /nfs/dbraw/zinc/75/52/00/1026755200.db2.gz FQNQZMFAIZUTSB-UHFFFAOYSA-N -1 0 304.310 -0.064 20 0 DBADRM O=C([O-])c1nc(NC(=O)CN2CCOCC2=O)[nH]c1Cl ZINC001574300164 1026755376 /nfs/dbraw/zinc/75/53/76/1026755376.db2.gz DZCYNVWWSTWANF-UHFFFAOYSA-N -1 0 302.674 -0.441 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)CNC(=O)N2CCCC2)cn1 ZINC001574300145 1026755400 /nfs/dbraw/zinc/75/54/00/1026755400.db2.gz DERIUYSHZXWGEJ-UHFFFAOYSA-N -1 0 309.326 -0.497 20 0 DBADRM O=C(Cc1nnc(C2CC2)[nH]1)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001574301628 1026755493 /nfs/dbraw/zinc/75/54/93/1026755493.db2.gz DNBVQABTKFUIGK-DTWKUNHWSA-N -1 0 309.326 -0.689 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCC(=O)Nc2cccnc2)CCC1 ZINC001574300306 1026755545 /nfs/dbraw/zinc/75/55/45/1026755545.db2.gz GZSHUIPDEFIKRW-UHFFFAOYSA-N -1 0 313.335 -0.053 20 0 DBADRM O=C([O-])N1CCC(NC(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001574301927 1026755651 /nfs/dbraw/zinc/75/56/51/1026755651.db2.gz OHJPTPTWFKLYOM-UHFFFAOYSA-N -1 0 320.309 -0.850 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)CSc2nncs2)C1 ZINC001574302857 1026755813 /nfs/dbraw/zinc/75/58/13/1026755813.db2.gz QSJRFXKAYRDKKA-BQBZGAKWSA-N -1 0 318.380 -0.283 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCC(=O)NC1CCCC1 ZINC001574300479 1026755895 /nfs/dbraw/zinc/75/58/95/1026755895.db2.gz MNCWFYPKWPGJIE-UHFFFAOYSA-N -1 0 316.339 -0.555 20 0 DBADRM O=C([O-])[C@@H](NC(=O)Cn1ccccc1=O)[C@H](O)c1ccncc1 ZINC001574302635 1026755956 /nfs/dbraw/zinc/75/59/56/1026755956.db2.gz YZERDPMYGIZIIJ-UONOGXRCSA-N -1 0 317.301 -0.454 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)CNC(=O)Cc2ccccc2)n1 ZINC001574300626 1026756020 /nfs/dbraw/zinc/75/60/20/1026756020.db2.gz ROCHBQUITQFONO-UHFFFAOYSA-N -1 0 317.305 -0.522 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)Cn2nnc3ccccc32)[C@@H](CO)C1 ZINC001574301663 1026756084 /nfs/dbraw/zinc/75/60/84/1026756084.db2.gz FNPHDLLJGUXCLD-KOLCDFICSA-N -1 0 319.321 -0.482 20 0 DBADRM O=C([O-])[C@H](NC(=O)CNCC(F)(F)F)[C@H](O)c1ccncc1 ZINC001574300700 1026756134 /nfs/dbraw/zinc/75/61/34/1026756134.db2.gz VSWRPUJVINNGSO-NXEZZACHSA-N -1 0 321.255 -0.164 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cnncc1O)[C@@H](O)c1ccncc1 ZINC001574309155 1026756540 /nfs/dbraw/zinc/75/65/40/1026756540.db2.gz UFWQZMQWPSOWIH-QWRGUYRKSA-N -1 0 304.262 -0.506 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1cc(=O)[nH]cn1)[C@H](O)c1ccncc1 ZINC001574307807 1026757396 /nfs/dbraw/zinc/75/73/96/1026757396.db2.gz BZPZIOSPPXHYGJ-GHMZBOCLSA-N -1 0 304.262 -0.506 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1nc2ncccn2n1 ZINC001574307931 1026757824 /nfs/dbraw/zinc/75/78/24/1026757824.db2.gz DOHHTNRFNMVOKG-BDAKNGLRSA-N -1 0 305.294 -0.124 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1cc(=O)cc[nH]1)[C@H](O)c1ccncc1 ZINC001574308541 1026757954 /nfs/dbraw/zinc/75/79/54/1026757954.db2.gz LXFYNMJTNQYAER-VXGBXAGGSA-N -1 0 303.274 -0.314 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)N[C@H](CO)C[C@H]2CCCO2)C1 ZINC001574310416 1026758225 /nfs/dbraw/zinc/75/82/25/1026758225.db2.gz SDYWDAHCYWFQHE-GARJFASQSA-N -1 0 301.343 -0.032 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001574312137 1026758890 /nfs/dbraw/zinc/75/88/90/1026758890.db2.gz UURVCVJFJFAKPR-GZMMTYOYSA-N -1 0 308.338 -0.011 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2cc3ncccn3n2)C1 ZINC001574311741 1026759027 /nfs/dbraw/zinc/75/90/27/1026759027.db2.gz OYDNOZRACCZVKT-WPRPVWTQSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1CCC(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001574314025 1026759925 /nfs/dbraw/zinc/75/99/25/1026759925.db2.gz PNUWNHFPKLCSEL-MRVPVSSYSA-N -1 0 309.326 -0.195 20 0 DBADRM O=C([O-])N1CCC[C@@H](C(=O)NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001574321818 1026760647 /nfs/dbraw/zinc/76/06/47/1026760647.db2.gz GVNAXLCAXIPIGC-BXKDBHETSA-N -1 0 320.367 -0.958 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)NCC2CCOCC2)C1 ZINC001574319205 1026761307 /nfs/dbraw/zinc/76/13/07/1026761307.db2.gz HSKSMHZSQIXTBW-QWRGUYRKSA-N -1 0 301.343 -0.317 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)NC[C@@H]2CCCOC2)C1 ZINC001574319152 1026761533 /nfs/dbraw/zinc/76/15/33/1026761533.db2.gz GWWCWYRHAJUTLW-DCAQKATOSA-N -1 0 301.343 -0.317 20 0 DBADRM O=C([O-])N1CCC[C@@H](C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001574321828 1026762284 /nfs/dbraw/zinc/76/22/84/1026762284.db2.gz GVNAXLCAXIPIGC-SKDRFNHKSA-N -1 0 320.367 -0.958 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1nc2ncc(CCO)cn2n1 ZINC001574338912 1026763871 /nfs/dbraw/zinc/76/38/71/1026763871.db2.gz ZDNXRTTYDCXJPV-ZJUUUORDSA-N -1 0 319.321 -0.358 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)c2ccn(C3CCOCC3)n2)n1 ZINC001574331312 1026764118 /nfs/dbraw/zinc/76/41/18/1026764118.db2.gz ZKESKDAPUZGYRV-UHFFFAOYSA-N -1 0 320.309 -0.019 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)Nc2ccn(CCF)n2)[C@@H](CO)C1 ZINC001574341784 1026764560 /nfs/dbraw/zinc/76/45/60/1026764560.db2.gz OLZTWSUPNJVYHJ-BDAKNGLRSA-N -1 0 315.305 -0.055 20 0 DBADRM O=C([O-])[C@@H](F)C1CN(C(=O)NCCC(=O)N2CCOCC2)C1 ZINC001574345175 1026764837 /nfs/dbraw/zinc/76/48/37/1026764837.db2.gz JGZZSFWQBAFRRC-NSHDSACASA-N -1 0 317.317 -0.701 20 0 DBADRM O=C([O-])[C@H]1CCC[N@H+](CC(=O)N2CC[C@@H](c3nnn[n-]3)C2)C1 ZINC001574355452 1026765354 /nfs/dbraw/zinc/76/53/54/1026765354.db2.gz CTIMZCQGADWJJP-ZJUUUORDSA-N -1 0 308.342 -0.688 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NC[C@@H](O)COCC2CC2)CCC1 ZINC001574351829 1026766312 /nfs/dbraw/zinc/76/63/12/1026766312.db2.gz MBAAMOHPXFFNRZ-SNVBAGLBSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001574355398 1026766339 /nfs/dbraw/zinc/76/63/39/1026766339.db2.gz BKNXARCMNAMDQF-DBIOUOCHSA-N -1 0 320.367 -0.826 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)Cc1ccno1)[C@@H]1CCCOC1 ZINC001574354170 1026766625 /nfs/dbraw/zinc/76/66/25/1026766625.db2.gz YWOTUUJYWBKQBC-SCZZXKLOSA-N -1 0 304.324 -0.026 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccnc2)C1 ZINC001574355605 1026767216 /nfs/dbraw/zinc/76/72/16/1026767216.db2.gz FAGFMVFINYFDQP-VIFPVBQESA-N -1 0 313.335 -0.707 20 0 DBADRM O=C([O-])[C@@H]1CCC[N@H+](CC(=O)N2CC[C@H](c3nnn[n-]3)C2)C1 ZINC001574355450 1026767496 /nfs/dbraw/zinc/76/74/96/1026767496.db2.gz CTIMZCQGADWJJP-VHSXEESVSA-N -1 0 308.342 -0.688 20 0 DBADRM O=C([O-])C[C@@H](CO)NC(=O)Cn1nnnc1-c1ccccc1 ZINC001574356793 1026768267 /nfs/dbraw/zinc/76/82/67/1026768267.db2.gz KSHHASRRALFUAO-JTQLQIEISA-N -1 0 305.294 -0.708 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001574356065 1026768481 /nfs/dbraw/zinc/76/84/81/1026768481.db2.gz ATYXMPVSINOZOF-VQVTYTSYSA-N -1 0 312.244 -0.747 20 0 DBADRM O=C([O-])C[C@@H](CO)NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001574356450 1026768885 /nfs/dbraw/zinc/76/88/85/1026768885.db2.gz HDRCDCBORSTTDG-ARDNSNSESA-N -1 0 301.217 -0.716 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)CNC(=O)OCC(F)(F)F ZINC001574358742 1026769482 /nfs/dbraw/zinc/76/94/82/1026769482.db2.gz XVQFUPBPTCDAPA-RXMQYKEDSA-N -1 0 302.205 -0.773 20 0 DBADRM O=C([O-])CC1(NC(=O)C[C@@H]2CCS(=O)(=O)C2)CCOCC1 ZINC001574365035 1026770500 /nfs/dbraw/zinc/77/05/00/1026770500.db2.gz LXMPWYLHVIRLJI-JTQLQIEISA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@@H]2COc3ccc(O)cc3O2)COC1 ZINC001574365128 1026770830 /nfs/dbraw/zinc/77/08/30/1026770830.db2.gz NRGCIVJREPKHPS-NSHDSACASA-N -1 0 309.274 -0.108 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC001574363042 1026770911 /nfs/dbraw/zinc/77/09/11/1026770911.db2.gz NNVAAALFJTWYIO-VXGBXAGGSA-N -1 0 321.333 -0.476 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001574363101 1026771382 /nfs/dbraw/zinc/77/13/82/1026771382.db2.gz NVXVPJALPFFNII-CABZTGNLSA-N -1 0 305.352 -0.751 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC001574361388 1026771493 /nfs/dbraw/zinc/77/14/93/1026771493.db2.gz GZOFOTZLJBZEAS-XHDPSFHLSA-N -1 0 304.302 -0.056 20 0 DBADRM O=C([O-])CNS(=O)(=O)c1ccc2c(c1)C(=O)NCCO2 ZINC001574371209 1026772276 /nfs/dbraw/zinc/77/22/76/1026772276.db2.gz BNSUHUPBXLNBEB-UHFFFAOYSA-N -1 0 300.292 -0.828 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)C[C@H]2CCS(=O)(=O)C2)n1 ZINC001574375109 1026772445 /nfs/dbraw/zinc/77/24/45/1026772445.db2.gz FGXSZTOKVMKSRY-SSDOTTSWSA-N -1 0 302.312 -0.874 20 0 DBADRM O=C([O-])CNC(=O)C1CCN(C(=O)c2ccc(CO)nc2)CC1 ZINC001574372472 1026772622 /nfs/dbraw/zinc/77/26/22/1026772622.db2.gz SPZIJHHZBVHTAR-UHFFFAOYSA-N -1 0 321.333 -0.373 20 0 DBADRM O=C([O-])CS[C@H](CNC(=O)C1(O)COC1)C(F)(F)F ZINC001574371687 1026773058 /nfs/dbraw/zinc/77/30/58/1026773058.db2.gz ITELXXBLOKUKQM-RXMQYKEDSA-N -1 0 303.258 -0.387 20 0 DBADRM O=C([O-])CCS(=O)(=O)N1CC(c2[nH]nc3c2COCC3)C1 ZINC001574368596 1026773115 /nfs/dbraw/zinc/77/31/15/1026773115.db2.gz XBZBWZKJILWSSJ-UHFFFAOYSA-N -1 0 315.351 -0.314 20 0 DBADRM O=C([O-])CNC(=O)C1CCN(C(=O)[C@@H](O)c2ccccn2)CC1 ZINC001574371240 1026773203 /nfs/dbraw/zinc/77/32/03/1026773203.db2.gz CFKLRCAJLNBRFL-ZDUSSCGKSA-N -1 0 321.333 -0.446 20 0 DBADRM O=C([O-])CC1(S(=O)(=O)N2CCN3C(=O)N=NC3C2)CC1 ZINC001574365375 1026773524 /nfs/dbraw/zinc/77/35/24/1026773524.db2.gz WNQUNWAVDFUOFE-UHFFFAOYSA-N -1 0 302.312 -0.864 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NS(=O)(=O)Cc2ccno2)C1 ZINC001574377120 1026774723 /nfs/dbraw/zinc/77/47/23/1026774723.db2.gz MVAHASIXVVVLOU-VXNVDRBHSA-N -1 0 305.312 -0.935 20 0 DBADRM O=C([O-])Cc1nnc(NC(=O)CC2CS(=O)(=O)C2)s1 ZINC001574375631 1026774932 /nfs/dbraw/zinc/77/49/32/1026774932.db2.gz SOGSCIJIRNAWFQ-UHFFFAOYSA-N -1 0 305.337 -0.462 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NS(=O)(=O)c2cscn2)C1 ZINC001574377402 1026775784 /nfs/dbraw/zinc/77/57/84/1026775784.db2.gz PSEWJPWCMRFHCL-RNFRBKRXSA-N -1 0 307.353 -0.608 20 0 DBADRM O=C([O-])Cn1cccc(NC(=O)N2CC[C@H](O)[C@@H](F)C2)c1=O ZINC001574375326 1026776142 /nfs/dbraw/zinc/77/61/42/1026776142.db2.gz KYCSUTXDOKTSKY-WPRPVWTQSA-N -1 0 313.285 -0.131 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NS(=O)(=O)c2cscn2)C1 ZINC001574377401 1026776224 /nfs/dbraw/zinc/77/62/24/1026776224.db2.gz PSEWJPWCMRFHCL-NKWVEPMBSA-N -1 0 307.353 -0.608 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN3CCOC[C@]3(CO)C2)C1 ZINC001574392642 1026776858 /nfs/dbraw/zinc/77/68/58/1026776858.db2.gz CJLNYMQNZWYUGJ-YWPYICTPSA-N -1 0 312.366 -0.607 20 0 DBADRM O=C([O-])Nc1scnc1C(=O)N1C[C@H](CO)[C@H](CO)C1 ZINC001574385058 1026778657 /nfs/dbraw/zinc/77/86/57/1026778657.db2.gz UHAUWFWCKFCZLL-KNVOCYPGSA-N -1 0 301.324 -0.094 20 0 DBADRM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001574398340 1026779187 /nfs/dbraw/zinc/77/91/87/1026779187.db2.gz DEZJAIKTLOOKPO-GMNPVEAJSA-N -1 0 309.322 -0.686 20 0 DBADRM O=C([O-])c1cc(CNC(=O)N2CCN3C(=O)NC[C@@H]3C2)on1 ZINC001574409395 1026779882 /nfs/dbraw/zinc/77/98/82/1026779882.db2.gz ZFTOMXKBCRRDCN-SSDOTTSWSA-N -1 0 309.282 -0.708 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)on1 ZINC001574405445 1026780989 /nfs/dbraw/zinc/78/09/89/1026780989.db2.gz GHSQYLPYTGUFBC-HTQZYQBOSA-N -1 0 314.319 -0.121 20 0 DBADRM Cc1cnc(COCC(=O)N2CCN(C(=O)C(=O)[O-])CC2)o1 ZINC001574411223 1026781334 /nfs/dbraw/zinc/78/13/34/1026781334.db2.gz YJFMRBVFEHSJHQ-UHFFFAOYSA-N -1 0 311.294 -0.745 20 0 DBADRM O=C([O-])c1cnn2c1nccc2C(=O)NC1CC(CO)(CO)C1 ZINC001574416921 1026781784 /nfs/dbraw/zinc/78/17/84/1026781784.db2.gz COOATXJMPGTJIF-UHFFFAOYSA-N -1 0 320.305 -0.709 20 0 DBADRM O=C([O-])c1csc(CN2CCN3CCOC[C@]3(CO)C2)n1 ZINC001574423029 1026782310 /nfs/dbraw/zinc/78/23/10/1026782310.db2.gz QFKPAJOQWSUVHW-CYBMUJFWSA-N -1 0 313.379 -0.280 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001574417594 1026783305 /nfs/dbraw/zinc/78/33/05/1026783305.db2.gz OKYJIKAYEHZHAZ-BHNWBGBOSA-N -1 0 317.323 -0.810 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)[nH]1 ZINC001574415878 1026783551 /nfs/dbraw/zinc/78/35/51/1026783551.db2.gz KWQSRAMDSMXBFA-VIFPVBQESA-N -1 0 309.326 -0.762 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@H]1CCCC(=O)N1)[C@H](O)c1cccnc1 ZINC001574430312 1026784545 /nfs/dbraw/zinc/78/45/45/1026784545.db2.gz FQOSPLPUQNDYOB-DDTOSNHZSA-N -1 0 321.333 -0.257 20 0 DBADRM O=C([O-])c1cnn2c1nccc2C(=O)NCC[C@H]1CNC(=O)C1 ZINC001574430697 1026784631 /nfs/dbraw/zinc/78/46/31/1026784631.db2.gz LNPCSTBHLWLYCJ-MRVPVSSYSA-N -1 0 317.305 -0.317 20 0 DBADRM O=C([O-])c1noc(CN2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)n1 ZINC001574428557 1026785038 /nfs/dbraw/zinc/78/50/38/1026785038.db2.gz CGRVSYUSLDTPOS-LURJTMIESA-N -1 0 307.266 -0.042 20 0 DBADRM O=C([O-])c1cc(CS(=O)(=O)NCC[C@H]2CNC(=O)C2)on1 ZINC001574429954 1026786468 /nfs/dbraw/zinc/78/64/68/1026786468.db2.gz BECFUPSGMIAAOJ-SSDOTTSWSA-N -1 0 317.323 -0.682 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CSCC(=O)N1)c1cccc(O)c1 ZINC001574434461 1026786875 /nfs/dbraw/zinc/78/68/75/1026786875.db2.gz ASQBCBPVJYSJCX-GXSJLCMTSA-N -1 0 310.331 -0.134 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCc2nnc3n2CCNC3=O)C1 ZINC001574435851 1026787575 /nfs/dbraw/zinc/78/75/75/1026787575.db2.gz UYEUVJLWMZXBJX-DTWKUNHWSA-N -1 0 321.337 -0.819 20 0 DBADRM O=C([O-])N1CCC(S(=O)(=O)N[C@H]2CCCNC2=O)CC1 ZINC001574435399 1026787626 /nfs/dbraw/zinc/78/76/26/1026787626.db2.gz NDXORJBBLKDOQU-VIFPVBQESA-N -1 0 305.356 -0.673 20 0 DBADRM Cc1nnc(CNC(=O)c2cccn(CC(=O)[O-])c2=O)n1C ZINC001574436131 1026787745 /nfs/dbraw/zinc/78/77/45/1026787745.db2.gz FKZGOFYDLMZDTL-UHFFFAOYSA-N -1 0 305.294 -0.700 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001574430939 1026788087 /nfs/dbraw/zinc/78/80/87/1026788087.db2.gz POJWRWXURZVNCE-QMMMGPOBSA-N -1 0 314.681 -0.154 20 0 DBADRM Cc1n[nH]nc1NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001574436376 1026788692 /nfs/dbraw/zinc/78/86/92/1026788692.db2.gz QLLAFQUDLWLCHE-UHFFFAOYSA-N -1 0 302.312 -0.669 20 0 DBADRM Cn1cc(C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)[nH]c1=O ZINC001574453906 1026789528 /nfs/dbraw/zinc/78/95/28/1026789528.db2.gz LOHDSQBSCYSSGW-UHFFFAOYSA-N -1 0 307.266 -0.197 20 0 DBADRM Cn1cc(C(C)(C)NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)nn1 ZINC001574453393 1026790649 /nfs/dbraw/zinc/79/06/49/1026790649.db2.gz HAECTBPCFYLAAP-VIFPVBQESA-N -1 0 323.353 -0.510 20 0 DBADRM Cn1ccc(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)n1 ZINC001574456595 1026791647 /nfs/dbraw/zinc/79/16/47/1026791647.db2.gz PNSXTPKHCHKWQR-UHFFFAOYSA-N -1 0 301.324 -0.362 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001574507552 1026792288 /nfs/dbraw/zinc/79/22/88/1026792288.db2.gz NVCOMBWEVPWPQY-QMMMGPOBSA-N -1 0 313.335 -0.470 20 0 DBADRM NC(=O)c1nccnc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001574503262 1026792747 /nfs/dbraw/zinc/79/27/47/1026792747.db2.gz XLUWXAOYGXXIEX-DTWKUNHWSA-N -1 0 304.306 -0.242 20 0 DBADRM CCOC(=O)C1(CC(=O)N[C@H](C(=O)[O-])[C@H](C)O)CCOCC1 ZINC001574511153 1026793040 /nfs/dbraw/zinc/79/30/40/1026793040.db2.gz UUOXEVSCHYABPL-ONGXEEELSA-N -1 0 317.338 -0.313 20 0 DBADRM NC(=O)COc1cccc(CNC(=O)[C@]2(C(=O)[O-])CCCO2)c1 ZINC001574500468 1026793469 /nfs/dbraw/zinc/79/34/69/1026793469.db2.gz MVDFXMDDUIKMEJ-HNNXBMFYSA-N -1 0 322.317 -0.199 20 0 DBADRM CCNC(=O)CC(=O)N[C@@H](CC(=O)[O-])C(=O)OC(C)(C)C ZINC001574511169 1026793555 /nfs/dbraw/zinc/79/35/55/1026793555.db2.gz VWVNTZFDYJAGEE-QMMMGPOBSA-N -1 0 302.327 -0.186 20 0 DBADRM NS(=O)(=O)c1ccc(NCC(=O)NCCC(=O)[O-])c(F)c1 ZINC001574508002 1026793915 /nfs/dbraw/zinc/79/39/15/1026793915.db2.gz RQUJLEAMQQOBKH-UHFFFAOYSA-N -1 0 319.314 -0.524 20 0 DBADRM CN1C(=O)CN(CC(=O)NC[C@H](C(=O)[O-])c2ccccc2)C1=O ZINC001574558922 1026796127 /nfs/dbraw/zinc/79/61/27/1026796127.db2.gz PEXCOMCRCUQEMF-NSHDSACASA-N -1 0 319.317 -0.135 20 0 DBADRM COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC001574567342 1026796238 /nfs/dbraw/zinc/79/62/38/1026796238.db2.gz JFLLZGXKPJZSEK-ZETCQYMHSA-N -1 0 304.299 -0.356 20 0 DBADRM C[C@H](C(=O)NC[C@@H](C)CCCO)n1cnc(-c2nnn[n-]2)n1 ZINC001574583875 1026797269 /nfs/dbraw/zinc/79/72/69/1026797269.db2.gz GKXRAYXEHXPBSN-DTWKUNHWSA-N -1 0 308.346 -0.456 20 0 DBADRM O=C([O-])C1(C(=O)N[C@H](CO)CC2CC2)CCS(=O)(=O)CC1 ZINC001574626801 1026797516 /nfs/dbraw/zinc/79/75/16/1026797516.db2.gz XUGFWNPTOSSRCH-JTQLQIEISA-N -1 0 319.379 -0.457 20 0 DBADRM O=C([O-])[C@]1(C(=O)N[C@H](CO)[C@@H](O)c2ccccn2)CCCO1 ZINC001574626088 1026797693 /nfs/dbraw/zinc/79/76/93/1026797693.db2.gz FVDSIKUTCCJXJN-UHIISALHSA-N -1 0 310.306 -0.774 20 0 DBADRM C[C@@H](CCCO)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001574583876 1026797841 /nfs/dbraw/zinc/79/78/41/1026797841.db2.gz GKXRAYXEHXPBSN-IUCAKERBSA-N -1 0 308.346 -0.456 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)C1 ZINC001574589234 1026797952 /nfs/dbraw/zinc/79/79/52/1026797952.db2.gz YKNZDPWEBSKNRB-RHYQMDGZSA-N -1 0 320.349 -0.214 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2noc3c2COCC3)CC1 ZINC001574615939 1026798428 /nfs/dbraw/zinc/79/84/28/1026798428.db2.gz ISRISBILRCDGJY-UHFFFAOYSA-N -1 0 309.278 -0.884 20 0 DBADRM C[C@H](CCCO)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001574583877 1026798622 /nfs/dbraw/zinc/79/86/22/1026798622.db2.gz GKXRAYXEHXPBSN-RKDXNWHRSA-N -1 0 308.346 -0.456 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@@H](CCO)C2CCOCC2)C1 ZINC001574644026 1026799450 /nfs/dbraw/zinc/79/94/50/1026799450.db2.gz MJUVCAZDJINAIK-ONGXEEELSA-N -1 0 300.311 -0.490 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCc2ccc[nH]c2=O)CC1 ZINC001574656865 1026800324 /nfs/dbraw/zinc/80/03/24/1026800324.db2.gz RYYWYKIHIGPXJR-UHFFFAOYSA-N -1 0 315.351 -0.082 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001574651548 1026800433 /nfs/dbraw/zinc/80/04/33/1026800433.db2.gz VKUXKUXJSKSTMP-UHFFFAOYSA-N -1 0 313.401 -0.949 20 0 DBADRM CS(=O)(=O)c1ccc(/C=C/C(=O)N[C@H](CO)C(=O)[O-])o1 ZINC001574651477 1026800514 /nfs/dbraw/zinc/80/05/14/1026800514.db2.gz QYVKGPVEQXTJGZ-BYDTYLDUSA-N -1 0 303.292 -0.742 20 0 DBADRM C[S@@](=O)CCNC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001574651487 1026800657 /nfs/dbraw/zinc/80/06/57/1026800657.db2.gz YYJCVZZWLBCARX-HXNGOWOSSA-N -1 0 322.383 -0.151 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc2ncnn21 ZINC001574668808 1026801524 /nfs/dbraw/zinc/80/15/24/1026801524.db2.gz KUCGEJZGEOXRBZ-VIFPVBQESA-N -1 0 324.318 -0.947 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NCc2nnnn2CC2CC2)CO1 ZINC001574686069 1026801535 /nfs/dbraw/zinc/80/15/35/1026801535.db2.gz IMMDOMTUKLGNMT-WDEREUQCSA-N -1 0 323.353 -0.031 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574669545 1026801855 /nfs/dbraw/zinc/80/18/55/1026801855.db2.gz UKLIECKYKPZOAK-XWLWVQCSSA-N -1 0 317.363 -0.488 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001574668795 1026801999 /nfs/dbraw/zinc/80/19/99/1026801999.db2.gz KDVMAWQVTHVYAD-UTINFBMNSA-N -1 0 303.336 -0.878 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1c[nH]c(C2CC2)n1 ZINC001574669575 1026802145 /nfs/dbraw/zinc/80/21/45/1026802145.db2.gz UWEYCWZBMWPUJV-SECBINFHSA-N -1 0 313.335 -0.389 20 0 DBADRM O=C([O-])CN(C(=O)CNC(=O)c1ncccc1O)C1CCC1 ZINC001574709331 1026802162 /nfs/dbraw/zinc/80/21/62/1026802162.db2.gz CQEXQJFMHHURAW-UHFFFAOYSA-N -1 0 307.306 -0.017 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ncc(Cl)cn1 ZINC001574669035 1026802219 /nfs/dbraw/zinc/80/22/19/1026802219.db2.gz OJBOAQFRPAWSAY-ZETCQYMHSA-N -1 0 319.726 -0.546 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NS(=O)(=O)[C@H]2CCOC2)C1=O ZINC001574723190 1026803110 /nfs/dbraw/zinc/80/31/10/1026803110.db2.gz AZFJDFCRYWMRLN-VHSXEESVSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)Nc2nc3ccccn3n2)C1=O ZINC001574722234 1026803420 /nfs/dbraw/zinc/80/34/20/1026803420.db2.gz LCDUMBYXVLYXNJ-VIFPVBQESA-N -1 0 317.305 -0.009 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@@H](CO)C(F)(F)F)C1=O ZINC001574718784 1026803476 /nfs/dbraw/zinc/80/34/76/1026803476.db2.gz DLWOTCGNXCISLD-BQBZGAKWSA-N -1 0 312.244 -0.651 20 0 DBADRM CCC(CC)(CNC(=O)N1CCC[C@@](O)(C(N)=O)C1)C(=O)[O-] ZINC000262550212 282092288 /nfs/dbraw/zinc/09/22/88/282092288.db2.gz SGWZMRRKBRPJHQ-AWEZNQCLSA-N -1 0 315.370 -0.101 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000568633358 412501806 /nfs/dbraw/zinc/50/18/06/412501806.db2.gz IDKBXFFDHHNZGL-QMMMGPOBSA-N -1 0 313.383 0.126 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)NCCc2nc(N)no2)s[n-]1 ZINC000350654690 412506176 /nfs/dbraw/zinc/50/61/76/412506176.db2.gz VCXMVFQIBRCPRD-YFKPBYRVSA-N -1 0 313.343 -0.003 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2c(C)onc2N)[C@](C)(C(=O)[O-])C1 ZINC000629308861 412507423 /nfs/dbraw/zinc/50/74/23/412507423.db2.gz XDLHDWXELYUNTB-HQJQHLMTSA-N -1 0 319.339 -0.182 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(C)onc2N)C1 ZINC000530149451 412509528 /nfs/dbraw/zinc/50/95/28/412509528.db2.gz CAACRXWVJUKRJL-SNVBAGLBSA-N -1 0 305.312 -0.571 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000565233585 412525476 /nfs/dbraw/zinc/52/54/76/412525476.db2.gz VUIRICJRBXRDIE-HTQZYQBOSA-N -1 0 319.339 -0.589 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CN1CCCCC1=O ZINC000408132280 412528177 /nfs/dbraw/zinc/52/81/77/412528177.db2.gz JXEHEOLRJCIRLY-UHFFFAOYSA-N -1 0 316.339 -0.617 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(=O)N1 ZINC000408478086 412528199 /nfs/dbraw/zinc/52/81/99/412528199.db2.gz PSPDQKDXJMYMMD-ZETCQYMHSA-N -1 0 316.339 -0.571 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-] ZINC000567476636 412530385 /nfs/dbraw/zinc/53/03/85/412530385.db2.gz UAUAMEHVAACYIW-ZETCQYMHSA-N -1 0 321.355 0.112 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000571808579 412530467 /nfs/dbraw/zinc/53/04/67/412530467.db2.gz HYQGDKQJIZDVTF-SFYZADRCSA-N -1 0 319.339 -0.277 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000566311736 412530047 /nfs/dbraw/zinc/53/00/47/412530047.db2.gz HUHUZLCFYRKPSO-SSDOTTSWSA-N -1 0 315.311 -0.597 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000575320616 412530168 /nfs/dbraw/zinc/53/01/68/412530168.db2.gz AVLCWYDKRHKWCU-RNFRBKRXSA-N -1 0 305.312 -0.667 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F ZINC000349584687 412531198 /nfs/dbraw/zinc/53/11/98/412531198.db2.gz LIKYMFMZNFJIAX-RXMQYKEDSA-N -1 0 303.262 0.157 20 0 DBADRM Cn1[n-]c(C(=O)N2CCN(c3nc(N)ns3)CC2)cc1=O ZINC000612119852 412532882 /nfs/dbraw/zinc/53/28/82/412532882.db2.gz VKFYQDBVAOCKLM-UHFFFAOYSA-N -1 0 309.355 -0.478 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000580311753 412537455 /nfs/dbraw/zinc/53/74/55/412537455.db2.gz PQXHWJDJDKGKSB-VIFPVBQESA-N -1 0 318.337 -0.201 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000368491533 302397422 /nfs/dbraw/zinc/39/74/22/302397422.db2.gz VKHNLQBWBAZODH-UHFFFAOYSA-N -1 0 303.340 -0.359 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000580550693 412539996 /nfs/dbraw/zinc/53/99/96/412539996.db2.gz PUFHTBAAZJASPY-NSHDSACASA-N -1 0 320.353 0.091 20 0 DBADRM C[C@@H](C(=O)[N-]S(C)(=O)=O)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000407951956 295782593 /nfs/dbraw/zinc/78/25/93/295782593.db2.gz XWZXUAXCQXRLBX-XHNCKOQMSA-N -1 0 302.352 -0.374 20 0 DBADRM Nc1nsc(N2CCN(C(=O)CSCC(=O)[O-])CC2)n1 ZINC000569693669 412543121 /nfs/dbraw/zinc/54/31/21/412543121.db2.gz XKHBCFONDOKYDM-UHFFFAOYSA-N -1 0 317.396 -0.413 20 0 DBADRM O=C(Nc1nnc2ccccn21)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000123100573 304021359 /nfs/dbraw/zinc/02/13/59/304021359.db2.gz UDJDEUAPZULOHH-UHFFFAOYSA-N -1 0 323.272 -0.094 20 0 DBADRM COCCOCCc1ncc(C(=O)NC(C)(C)c2nnn[n-]2)[nH]1 ZINC000340738256 138099240 /nfs/dbraw/zinc/09/92/40/138099240.db2.gz KWBDHWRMOYSZBK-UHFFFAOYSA-N -1 0 323.357 -0.207 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@]1(C(=O)OC)CCOC1 ZINC000341459791 138110256 /nfs/dbraw/zinc/11/02/56/138110256.db2.gz GJRDSBZPIUONKZ-GFCCVEGCSA-N -1 0 323.367 -0.563 20 0 DBADRM C[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)[N-]CC(F)(F)F ZINC000341955517 138117043 /nfs/dbraw/zinc/11/70/43/138117043.db2.gz CAZJJUNDGOHZHT-WDSKDSINSA-N -1 0 310.319 -0.594 20 0 DBADRM Cc1[nH]nc([N-]S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)c1C(N)=O ZINC000340986639 138103606 /nfs/dbraw/zinc/10/36/06/138103606.db2.gz VGRABJYYJUOMGE-NKWVEPMBSA-N -1 0 317.371 -0.417 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1nncn1-c1cccnc1 ZINC000342640368 138125420 /nfs/dbraw/zinc/12/54/20/138125420.db2.gz BDOQGHLOSAYHRW-VIFPVBQESA-N -1 0 324.366 -0.119 20 0 DBADRM CC[C@]1(O)CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000355947650 138141665 /nfs/dbraw/zinc/14/16/65/138141665.db2.gz VTECAOJIKLVEAQ-LBPRGKRZSA-N -1 0 316.383 -0.928 20 0 DBADRM CC(C)n1cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cn1 ZINC000356736591 138144121 /nfs/dbraw/zinc/14/41/21/138144121.db2.gz BKDCPKAEJJZZIT-UHFFFAOYSA-N -1 0 312.355 -0.053 20 0 DBADRM Cc1nnc(CCNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[nH]1 ZINC000354523421 138135531 /nfs/dbraw/zinc/13/55/31/138135531.db2.gz ULRAORDLFNNJHI-UHFFFAOYSA-N -1 0 315.293 -0.165 20 0 DBADRM O=C([O-])C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000354984403 138138498 /nfs/dbraw/zinc/13/84/98/138138498.db2.gz PJKVCDHOSVCYFO-QMMMGPOBSA-N -1 0 318.376 -0.041 20 0 DBADRM CC(C)OC[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CCO1 ZINC000372140991 138165151 /nfs/dbraw/zinc/16/51/51/138165151.db2.gz VBAAJQDXSBAZRT-SNVBAGLBSA-N -1 0 311.338 -0.248 20 0 DBADRM COC(=O)c1cn([C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC000358042613 138148130 /nfs/dbraw/zinc/14/81/30/138148130.db2.gz UYGXYJAXJUCYCR-MRVPVSSYSA-N -1 0 307.314 -0.275 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1c[nH]cn1 ZINC000362324679 138152132 /nfs/dbraw/zinc/15/21/32/138152132.db2.gz PDYUSTSHXZXYAM-SSDOTTSWSA-N -1 0 304.328 -0.990 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N(C)CC(C)C ZINC000362326618 138152223 /nfs/dbraw/zinc/15/22/23/138152223.db2.gz YPOXTXAMIRCZEP-JTQLQIEISA-N -1 0 323.415 -0.270 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000373155005 138171105 /nfs/dbraw/zinc/17/11/05/138171105.db2.gz VDICVLNOBIWQFS-JTQLQIEISA-N -1 0 307.306 -0.470 20 0 DBADRM O=C(CN1CC[C@@H]2OCC(=O)N[C@H]2C1)[N-]OCc1ccccc1 ZINC000373968821 138175098 /nfs/dbraw/zinc/17/50/98/138175098.db2.gz NFESOFZCWKTLMS-KBPBESRZSA-N -1 0 319.361 -0.176 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000374873735 138179078 /nfs/dbraw/zinc/17/90/78/138179078.db2.gz DZLMLLOOMGBUCT-SFYZADRCSA-N -1 0 311.367 -0.128 20 0 DBADRM O=C([C@H]1CSCCS1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000372680335 138168894 /nfs/dbraw/zinc/16/88/94/138168894.db2.gz HVRVQYXJKUZPTI-HTQZYQBOSA-N -1 0 301.397 -0.052 20 0 DBADRM C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1O ZINC000377167442 138191467 /nfs/dbraw/zinc/19/14/67/138191467.db2.gz ARFHGXKZPXRCEK-BZPMIXESSA-N -1 0 320.345 -0.422 20 0 DBADRM COc1cccc([C@@H](O)C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1 ZINC000378319908 138198957 /nfs/dbraw/zinc/19/89/57/138198957.db2.gz WNRSUNIYOKDSOT-VXGBXAGGSA-N -1 0 319.321 -0.158 20 0 DBADRM COc1cccc([C@@H](O)C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1 ZINC000378319906 138199060 /nfs/dbraw/zinc/19/90/60/138199060.db2.gz WNRSUNIYOKDSOT-NWDGAFQWSA-N -1 0 319.321 -0.158 20 0 DBADRM CS(=O)(=O)[N-]C(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000407950848 138200392 /nfs/dbraw/zinc/20/03/92/138200392.db2.gz GWCRJFRSQBETRO-UHFFFAOYSA-N -1 0 303.384 -0.010 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)CC1=O ZINC000407992845 138201004 /nfs/dbraw/zinc/20/10/04/138201004.db2.gz VHJGLHGTJYRVJN-QWRGUYRKSA-N -1 0 318.395 -0.130 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CC2CCC2)c(=O)[nH]c1=O ZINC000408037512 138204234 /nfs/dbraw/zinc/20/42/34/138204234.db2.gz ALHUSRFCUXKAHU-UHFFFAOYSA-N -1 0 301.324 -0.654 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccc(Cl)cn1)[C@@H]1COCCO1 ZINC000408371449 138215977 /nfs/dbraw/zinc/21/59/77/138215977.db2.gz BDMCLOSZTNPBPX-QMMMGPOBSA-N -1 0 306.727 -0.045 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000408121854 138207711 /nfs/dbraw/zinc/20/77/11/138207711.db2.gz RLNHCWBMFLHSPK-GZMMTYOYSA-N -1 0 304.393 -0.016 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)n1 ZINC000408131891 138208206 /nfs/dbraw/zinc/20/82/06/138208206.db2.gz IHYUZYQQPQJBPL-VIFPVBQESA-N -1 0 302.356 -0.073 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CN1CCCCC1=O ZINC000408146492 138208705 /nfs/dbraw/zinc/20/87/05/138208705.db2.gz PMVHCKLXKLAARB-UHFFFAOYSA-N -1 0 314.367 -0.454 20 0 DBADRM C[C@]1(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)CCOC1 ZINC000408157909 138209382 /nfs/dbraw/zinc/20/93/82/138209382.db2.gz LHFGZWNSLGOVGN-LBPRGKRZSA-N -1 0 315.351 -0.103 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)CC1=O ZINC000408250130 138212252 /nfs/dbraw/zinc/21/22/52/138212252.db2.gz IBSYSUKLPPQNHA-WDEREUQCSA-N -1 0 318.395 -0.273 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)C1 ZINC000408249238 138212358 /nfs/dbraw/zinc/21/23/58/138212358.db2.gz ZFMKXLHIWDOWAD-SNVBAGLBSA-N -1 0 304.368 -0.663 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000408384982 138216404 /nfs/dbraw/zinc/21/64/04/138216404.db2.gz KONUMYPKEASUMC-SNVBAGLBSA-N -1 0 301.368 -0.186 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408378559 138216538 /nfs/dbraw/zinc/21/65/38/138216538.db2.gz FVTFTYQZLJNMJJ-RKDXNWHRSA-N -1 0 302.352 -0.373 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408378557 138216614 /nfs/dbraw/zinc/21/66/14/138216614.db2.gz FVTFTYQZLJNMJJ-IUCAKERBSA-N -1 0 302.352 -0.373 20 0 DBADRM Cc1sc(=O)n(CC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1C ZINC000408388987 138217086 /nfs/dbraw/zinc/21/70/86/138217086.db2.gz YENPOCWRUQRDBB-SECBINFHSA-N -1 0 320.392 -0.238 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1ccc2nncn2c1 ZINC000408405290 138217785 /nfs/dbraw/zinc/21/77/85/138217785.db2.gz CNGSRSOHCFIUCP-SNVBAGLBSA-N -1 0 310.335 -0.032 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000408408856 138217819 /nfs/dbraw/zinc/21/78/19/138217819.db2.gz RHKYDFNZHZJCFG-MWLCHTKSSA-N -1 0 316.379 -0.378 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)CC1=O ZINC000408406596 138218032 /nfs/dbraw/zinc/21/80/32/138218032.db2.gz VECMVEIQOMKWNX-UWVGGRQHSA-N -1 0 304.368 -0.520 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)CC1=O ZINC000408406594 138218294 /nfs/dbraw/zinc/21/82/94/138218294.db2.gz VECMVEIQOMKWNX-NXEZZACHSA-N -1 0 304.368 -0.520 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000408445880 138219230 /nfs/dbraw/zinc/21/92/30/138219230.db2.gz CVJDQLBZDFMGDN-WDEREUQCSA-N -1 0 318.395 -0.082 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000408456627 138219973 /nfs/dbraw/zinc/21/99/73/138219973.db2.gz JZXQAYZOAHOBKO-WDEREUQCSA-N -1 0 306.384 -0.668 20 0 DBADRM CS(=O)(=O)[N-]C(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000408486442 138220197 /nfs/dbraw/zinc/22/01/97/138220197.db2.gz JEXWCUPVRBZCOB-QWRGUYRKSA-N -1 0 316.379 -0.497 20 0 DBADRM CN(C)c1cnc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cn1 ZINC000408498712 138220278 /nfs/dbraw/zinc/22/02/78/138220278.db2.gz LSICZSZSLZOTAN-QMMMGPOBSA-N -1 0 300.340 -0.609 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000408483086 138220288 /nfs/dbraw/zinc/22/02/88/138220288.db2.gz WCMCUBXLFOMGOL-BDAKNGLRSA-N -1 0 314.367 -0.483 20 0 DBADRM CN(C)c1cnc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cn1 ZINC000408498708 138220298 /nfs/dbraw/zinc/22/02/98/138220298.db2.gz LSICZSZSLZOTAN-MRVPVSSYSA-N -1 0 300.340 -0.609 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)CC(F)(F)F)CC1=O ZINC000408482808 138220324 /nfs/dbraw/zinc/22/03/24/138220324.db2.gz ANBACVIEEAHDQW-LURJTMIESA-N -1 0 302.274 -0.137 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cc2n(n1)CCO2 ZINC000408474412 138220431 /nfs/dbraw/zinc/22/04/31/138220431.db2.gz VRRWWPWOOPFXMM-SECBINFHSA-N -1 0 315.351 -0.096 20 0 DBADRM C[C@]1(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)CCC(=O)NC1 ZINC000408479836 138220445 /nfs/dbraw/zinc/22/04/45/138220445.db2.gz NILWSNJASWTVDC-SKDRFNHKSA-N -1 0 304.368 -0.472 20 0 DBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)CCC(=O)NC1 ZINC000408478805 138220451 /nfs/dbraw/zinc/22/04/51/138220451.db2.gz KMKMHRYTYBJUBP-BXKDBHETSA-N -1 0 304.368 -0.472 20 0 DBADRM COc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)nn1C ZINC000408477817 138220551 /nfs/dbraw/zinc/22/05/51/138220551.db2.gz HBILRKSLUVHZOZ-MRVPVSSYSA-N -1 0 303.340 -0.333 20 0 DBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)C[C@H]1CCCCO1)C(=O)OC ZINC000344968559 291112325 /nfs/dbraw/zinc/11/23/25/291112325.db2.gz SRUFQVURYSPTHE-NXEZZACHSA-N -1 0 323.367 -0.420 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)CCO1 ZINC000167961789 304077187 /nfs/dbraw/zinc/07/71/87/304077187.db2.gz ZKBBSIMZEOABPY-NXEZZACHSA-N -1 0 305.352 -0.344 20 0 DBADRM CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000286062158 535433800 /nfs/dbraw/zinc/43/38/00/535433800.db2.gz LZCQRQLMVSQJRH-NKWVEPMBSA-N -1 0 302.356 -0.106 20 0 DBADRM COC(=O)Cc1cccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000290733294 291169598 /nfs/dbraw/zinc/16/95/98/291169598.db2.gz WIZUKIJQJUCMQV-SNVBAGLBSA-N -1 0 317.319 -0.874 20 0 DBADRM CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000227306430 283443773 /nfs/dbraw/zinc/44/37/73/283443773.db2.gz RIRVOCXCHCXZFH-JOYOIKCWSA-N -1 0 322.383 -0.858 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000414451177 237233984 /nfs/dbraw/zinc/23/39/84/237233984.db2.gz ZVJZXPQXADPWBO-MNOVXSKESA-N -1 0 318.395 -0.019 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000091128404 304086474 /nfs/dbraw/zinc/08/64/74/304086474.db2.gz HNDDRAQIGCECRN-BDAKNGLRSA-N -1 0 307.393 -0.160 20 0 DBADRM COC(=O)NCCCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000272663790 291197362 /nfs/dbraw/zinc/19/73/62/291197362.db2.gz TYICLRCPNNSXSJ-SECBINFHSA-N -1 0 317.342 -0.440 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000093228365 283560142 /nfs/dbraw/zinc/56/01/42/283560142.db2.gz ZKDKSDVPDUEMCS-UHFFFAOYSA-N -1 0 315.307 -0.764 20 0 DBADRM CCC[C@@H](NS(=O)(=O)c1cnn(CC(=O)OC)c1)C(=O)[O-] ZINC000262703327 283566237 /nfs/dbraw/zinc/56/62/37/283566237.db2.gz ZPOQQMIQORODLE-SECBINFHSA-N -1 0 319.339 -0.412 20 0 DBADRM CNC(=O)NC(=O)CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000131718568 283572637 /nfs/dbraw/zinc/57/26/37/283572637.db2.gz AHMNONAWRZRCNC-UHFFFAOYSA-N -1 0 309.351 -0.128 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])C1 ZINC000250670658 283594795 /nfs/dbraw/zinc/59/47/95/283594795.db2.gz LWBOEPYZDFYMNL-ZJUUUORDSA-N -1 0 322.383 -0.089 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000252632162 283595438 /nfs/dbraw/zinc/59/54/38/283595438.db2.gz BPVCXMQNUYKKFB-CHWFTXMASA-N -1 0 304.368 -0.041 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])cc1C(N)=O ZINC000284984948 283602503 /nfs/dbraw/zinc/60/25/03/283602503.db2.gz GCKFMXRGBXDOEN-VIFPVBQESA-N -1 0 315.351 -0.344 20 0 DBADRM O=C(N[C@@]1(CCO)CCOC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000447066173 238321808 /nfs/dbraw/zinc/32/18/08/238321808.db2.gz FATUMRDXWOVVEM-AWEZNQCLSA-N -1 0 320.305 -0.293 20 0 DBADRM CCn1cc(-c2n[nH]cc2C(=O)NCCc2nc(=O)o[n-]2)cn1 ZINC000447635534 238331157 /nfs/dbraw/zinc/33/11/57/238331157.db2.gz BHFLTDRSUMQMOP-UHFFFAOYSA-N -1 0 317.309 -0.058 20 0 DBADRM O=C(CSc1nnnn1C1CC1)NCCc1nc(=O)o[n-]1 ZINC000447632411 238331744 /nfs/dbraw/zinc/33/17/44/238331744.db2.gz JHRAMVDUZQBIJJ-UHFFFAOYSA-N -1 0 311.327 -0.865 20 0 DBADRM Cc1cc(C(=O)NCCc2nc(=O)o[n-]2)c2c(=O)[nH]n(C)c2n1 ZINC000447631718 238332202 /nfs/dbraw/zinc/33/22/02/238332202.db2.gz ZEPHOLBXJPRGSG-UHFFFAOYSA-N -1 0 318.293 -0.369 20 0 DBADRM COC[C@H](NC(=O)Cn1cnc2c(C)cccc2c1=O)C(=O)[O-] ZINC000448999200 238351917 /nfs/dbraw/zinc/35/19/17/238351917.db2.gz IDXKZGKUVPPZCF-NSHDSACASA-N -1 0 319.317 -0.079 20 0 DBADRM CC[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)C(=O)[O-] ZINC000532597521 283620788 /nfs/dbraw/zinc/62/07/88/283620788.db2.gz NJSFEIIDFPMEFR-ZETCQYMHSA-N -1 0 306.365 -0.083 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000532874622 283626604 /nfs/dbraw/zinc/62/66/04/283626604.db2.gz DLYCITWYYKEEOY-NSHDSACASA-N -1 0 312.347 -0.048 20 0 DBADRM C[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C1(S(C)(=O)=O)CC1 ZINC000352339092 299328726 /nfs/dbraw/zinc/32/87/26/299328726.db2.gz ZIRABNDNTFFEIV-LURJTMIESA-N -1 0 324.346 -0.062 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@H](C(=O)[O-])C2CC2)c1 ZINC000539607065 283678257 /nfs/dbraw/zinc/67/82/57/283678257.db2.gz WLVKZEKPKIRPCK-JTQLQIEISA-N -1 0 315.351 -0.142 20 0 DBADRM COc1cncc(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])c1 ZINC000541909932 283694347 /nfs/dbraw/zinc/69/43/47/283694347.db2.gz GEVZAPVWYGSERR-VIFPVBQESA-N -1 0 318.351 -0.064 20 0 DBADRM C[C@](O)(CNC(=O)C[C@H](NC(N)=O)c1ccccc1)C(=O)[O-] ZINC000546024410 283726092 /nfs/dbraw/zinc/72/60/92/283726092.db2.gz LCHNUIUCFQCBJJ-HZMBPMFUSA-N -1 0 309.322 -0.262 20 0 DBADRM Cn1[n-]nnc1=NCc1cccc(C(=O)N2CCOCC2)c1 ZINC000547389176 283737825 /nfs/dbraw/zinc/73/78/25/283737825.db2.gz SVKNVQBIAAWMAS-UHFFFAOYSA-N -1 0 302.338 -0.284 20 0 DBADRM N#Cc1ccc(F)c(CS(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000547570611 283745082 /nfs/dbraw/zinc/74/50/82/283745082.db2.gz YKIBIYJWKIHGKA-JTQLQIEISA-N -1 0 302.283 -0.438 20 0 DBADRM COCCCS(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000547565810 283745099 /nfs/dbraw/zinc/74/50/99/283745099.db2.gz RORBCOMBSMDIAA-LLVKDONJSA-N -1 0 319.383 -0.381 20 0 DBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000547584181 283745333 /nfs/dbraw/zinc/74/53/33/283745333.db2.gz CWPDESGMOCELCB-MXWKQRLJSA-N -1 0 324.399 -0.502 20 0 DBADRM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)N(C)CCC(=O)OC ZINC000547582895 283745512 /nfs/dbraw/zinc/74/55/12/283745512.db2.gz OCYYXVVIEASKBL-VIFPVBQESA-N -1 0 310.372 -0.089 20 0 DBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cnc2n1CCC2 ZINC000547588390 283745774 /nfs/dbraw/zinc/74/57/74/283745774.db2.gz WSISUTROLZHHNJ-VIFPVBQESA-N -1 0 317.367 -0.325 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000547597284 283745978 /nfs/dbraw/zinc/74/59/78/283745978.db2.gz MOTFENOVGQGCFP-IVZWLZJFSA-N -1 0 322.383 -0.608 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)N1CCOC(C)(C)C1 ZINC000547587558 283746076 /nfs/dbraw/zinc/74/60/76/283746076.db2.gz IQXHILCIISCUMX-UHFFFAOYSA-N -1 0 324.399 -0.235 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@@H](C)C(=O)[O-])c([N+](=O)[O-])n1 ZINC000547542097 283742413 /nfs/dbraw/zinc/74/24/13/283742413.db2.gz HAPOUTVCICQBRN-ZCFIWIBFSA-N -1 0 306.300 -0.190 20 0 DBADRM COCCS(=O)(=O)NC[C@@H](Cc1ccccn1)C(=O)[O-] ZINC000547548754 283743279 /nfs/dbraw/zinc/74/32/79/283743279.db2.gz QRGHJBACQCOQBY-SNVBAGLBSA-N -1 0 302.352 -0.109 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])cn1 ZINC000547551764 283743476 /nfs/dbraw/zinc/74/34/76/283743476.db2.gz MLTUPESBKRURIH-SCZZXKLOSA-N -1 0 303.340 -0.422 20 0 DBADRM COCc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC000547557952 283744296 /nfs/dbraw/zinc/74/42/96/283744296.db2.gz CDSDAYCDBKVFBI-KCJUWKMLSA-N -1 0 303.336 -0.055 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)N2CC[C@@H](C)C2)C(=O)[O-])c1 ZINC000547558109 283744322 /nfs/dbraw/zinc/74/43/22/283744322.db2.gz SPYLRSFNXUQGJL-KOLCDFICSA-N -1 0 316.383 -0.179 20 0 DBADRM CCC(=O)C[C@@H](NS(=O)(=O)N(C)CCC(=O)OC)C(=O)[O-] ZINC000547611834 283747229 /nfs/dbraw/zinc/74/72/29/283747229.db2.gz VNOXHNMGRPQMTK-SECBINFHSA-N -1 0 324.355 -0.862 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCOCC2)c1 ZINC000547617295 283747694 /nfs/dbraw/zinc/74/76/94/283747694.db2.gz LKRASNVDNXRVMY-SNVBAGLBSA-N -1 0 317.367 -0.032 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000547818559 283752627 /nfs/dbraw/zinc/75/26/27/283752627.db2.gz SKMBTIIKVNBSMP-UHFFFAOYSA-N -1 0 321.380 -0.526 20 0 DBADRM Cn1cc(C[C@H](CNS(=O)(=O)c2c[nH]cn2)C(=O)[O-])cn1 ZINC000547902146 283757748 /nfs/dbraw/zinc/75/77/48/283757748.db2.gz PWMWAAXHXCZILF-SECBINFHSA-N -1 0 313.339 -0.635 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000547893521 283757844 /nfs/dbraw/zinc/75/78/44/283757844.db2.gz MMPKYPZJWPNXGF-BXKDBHETSA-N -1 0 322.383 -0.041 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000547871210 283755139 /nfs/dbraw/zinc/75/51/39/283755139.db2.gz KNCYAKSTZSAFKX-WCBMZHEXSA-N -1 0 315.351 -0.260 20 0 DBADRM Cn1cnc2cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])ccc21 ZINC000547878998 283755623 /nfs/dbraw/zinc/75/56/23/283755623.db2.gz CTPMRRVOPRWVTF-VIFPVBQESA-N -1 0 313.335 -0.313 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000548242704 283772395 /nfs/dbraw/zinc/77/23/95/283772395.db2.gz HACKKILVOJJTLS-JTQLQIEISA-N -1 0 316.335 -0.494 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c(C)nn(C)c1C ZINC000548241021 283772403 /nfs/dbraw/zinc/77/24/03/283772403.db2.gz KLTZGNQARSFMGU-SECBINFHSA-N -1 0 305.356 -0.243 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000548256699 283772858 /nfs/dbraw/zinc/77/28/58/283772858.db2.gz FFHNNWCJVDCODK-IDJBCLPUSA-N -1 0 313.397 -0.741 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548201157 283769395 /nfs/dbraw/zinc/76/93/95/283769395.db2.gz FXXPTFCPDXVELF-VHSXEESVSA-N -1 0 323.367 -0.261 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000548256695 283772920 /nfs/dbraw/zinc/77/29/20/283772920.db2.gz DZNDWTFKMIVXEX-CXNNERTKSA-N -1 0 310.397 -0.767 20 0 DBADRM CCC(CC)S(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-] ZINC000548220848 283770727 /nfs/dbraw/zinc/77/07/27/283770727.db2.gz LXDKYWOZNJFZCG-LLVKDONJSA-N -1 0 308.400 -0.120 20 0 DBADRM COC[C@H](NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC)C(=O)[O-] ZINC000548218466 283770766 /nfs/dbraw/zinc/77/07/66/283770766.db2.gz ZFXQYHYEEUCJMI-GUBZILKMSA-N -1 0 323.367 -0.263 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000548223669 283771344 /nfs/dbraw/zinc/77/13/44/283771344.db2.gz PFKZMRAPWPYUSV-NXEZZACHSA-N -1 0 319.383 -0.762 20 0 DBADRM COCCOCCS(=O)(=O)N1[C@@H](C)SC[C@@H]1C(=O)[O-] ZINC000548222124 283771349 /nfs/dbraw/zinc/77/13/49/283771349.db2.gz JRCPPXPCGYFKLQ-RKDXNWHRSA-N -1 0 313.397 -0.173 20 0 DBADRM Cn1cc(C[C@@H](CNS(=O)(=O)[C@H]2CCOC2)C(=O)[O-])cn1 ZINC000548223747 283771370 /nfs/dbraw/zinc/77/13/70/283771370.db2.gz ITZXUCIBNRIDOL-QWRGUYRKSA-N -1 0 317.367 -0.628 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)cn1 ZINC000548223349 283771373 /nfs/dbraw/zinc/77/13/73/283771373.db2.gz XRKXNYATOQYUKD-JTQLQIEISA-N -1 0 317.323 -0.802 20 0 DBADRM COCCOCCS(=O)(=O)N1[C@@H](C)SC[C@H]1C(=O)[O-] ZINC000548222121 283771375 /nfs/dbraw/zinc/77/13/75/283771375.db2.gz JRCPPXPCGYFKLQ-BDAKNGLRSA-N -1 0 313.397 -0.173 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])C1 ZINC000548228515 283771945 /nfs/dbraw/zinc/77/19/45/283771945.db2.gz JYQHXTDNCCPKQS-KOLCDFICSA-N -1 0 316.383 -0.408 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCOCC(=O)[O-])cn1C ZINC000548259984 283773235 /nfs/dbraw/zinc/77/32/35/283773235.db2.gz JNDHQLGABDGRRF-UHFFFAOYSA-N -1 0 320.323 -0.809 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](Cc1ccco1)C(=O)[O-] ZINC000548553688 283784842 /nfs/dbraw/zinc/78/48/42/283784842.db2.gz IOMBNSLDUGFRGJ-SNVBAGLBSA-N -1 0 306.340 -0.312 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000548556957 283784942 /nfs/dbraw/zinc/78/49/42/283784942.db2.gz QZTWDBABBUFFOH-JTQLQIEISA-N -1 0 310.372 -0.721 20 0 DBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000548570796 283785035 /nfs/dbraw/zinc/78/50/35/283785035.db2.gz YFHZEMWWFOOOLD-QMMMGPOBSA-N -1 0 317.371 -0.573 20 0 DBADRM CC(C)OCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000548571321 283785112 /nfs/dbraw/zinc/78/51/12/283785112.db2.gz AZOGQWJFZKGZSV-NXEZZACHSA-N -1 0 322.383 -0.608 20 0 DBADRM CC(C)OCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000548571332 283785142 /nfs/dbraw/zinc/78/51/42/283785142.db2.gz AZOGQWJFZKGZSV-ZJUUUORDSA-N -1 0 322.383 -0.608 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCOC1)NS(=O)(=O)N1CCOCC1 ZINC000548528023 283782382 /nfs/dbraw/zinc/78/23/82/283782382.db2.gz UFSSBUASOBEGKW-UWVGGRQHSA-N -1 0 308.356 -0.967 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000548529473 283782455 /nfs/dbraw/zinc/78/24/55/283782455.db2.gz DIGSLEOQFZUEKP-PSASIEDQSA-N -1 0 303.340 -0.329 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)N(C)CC(C)C)C(=O)[O-] ZINC000548531512 283782975 /nfs/dbraw/zinc/78/29/75/283782975.db2.gz SEFQQZPJVGGLNK-VIFPVBQESA-N -1 0 310.372 -0.185 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)C[C@H]1CCCCO1)C(=O)[O-] ZINC000548535364 283783061 /nfs/dbraw/zinc/78/30/61/283783061.db2.gz TVNWIDPAOWRIOL-BDAKNGLRSA-N -1 0 309.340 -0.509 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)C[C@@H]2CCCO2)C(=O)[O-])c1 ZINC000548537256 283783696 /nfs/dbraw/zinc/78/36/96/283783696.db2.gz PIFDRNDZBXRCQS-QWRGUYRKSA-N -1 0 317.367 -0.257 20 0 DBADRM CCc1oc(C(=O)OC)cc1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000548536523 283783743 /nfs/dbraw/zinc/78/37/43/283783743.db2.gz HSSYOJTZSWLVDW-LURJTMIESA-N -1 0 321.307 -0.648 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@H](OC)C(=O)[O-] ZINC000548543705 283784148 /nfs/dbraw/zinc/78/41/48/283784148.db2.gz FWHNHHGIIHDJSA-UTLUCORTSA-N -1 0 323.367 -0.263 20 0 DBADRM C[C@@H]1CCCCN1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000548584669 283785981 /nfs/dbraw/zinc/78/59/81/283785981.db2.gz BJFDTGJAQGDWFJ-KFTBIWSRSA-N -1 0 324.424 -0.377 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)NCCOCC(=O)[O-])c1 ZINC000548589293 283786610 /nfs/dbraw/zinc/78/66/10/283786610.db2.gz KZUCIRDFTNJNOY-UHFFFAOYSA-N -1 0 307.280 -0.554 20 0 DBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)CCCCF ZINC000548769769 283792610 /nfs/dbraw/zinc/79/26/10/283792610.db2.gz HTXQLOCUNWDJEZ-CQLKUDPESA-N -1 0 301.361 -0.417 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCCOCC2)CCS1(=O)=O ZINC000333552562 304130195 /nfs/dbraw/zinc/13/01/95/304130195.db2.gz JRLGSCYETNLJOF-ZJUUUORDSA-N -1 0 320.367 -0.551 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-] ZINC000554712296 283937873 /nfs/dbraw/zinc/93/78/73/283937873.db2.gz QURHAOMEUKBGGP-LURJTMIESA-N -1 0 316.291 -0.978 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000554531449 283934713 /nfs/dbraw/zinc/93/47/13/283934713.db2.gz AYNKTHJFTPVNCE-RKDXNWHRSA-N -1 0 323.367 -0.405 20 0 DBADRM COCCS(=O)(=O)N1CCC(O)(C(C)(C)C(=O)[O-])CC1 ZINC000554538622 283934958 /nfs/dbraw/zinc/93/49/58/283934958.db2.gz XWDYXOCOGHJZDY-UHFFFAOYSA-N -1 0 309.384 -0.100 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000556260054 283950406 /nfs/dbraw/zinc/95/04/06/283950406.db2.gz AWDXKPNHRRRAOL-MRVPVSSYSA-N -1 0 319.291 -0.460 20 0 DBADRM CN(CC(F)(F)F)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000558580920 283975423 /nfs/dbraw/zinc/97/54/23/283975423.db2.gz XNPLYUWFQKFSNR-ZCFIWIBFSA-N -1 0 318.273 -0.216 20 0 DBADRM COCc1ccccc1CS(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000558473277 283973660 /nfs/dbraw/zinc/97/36/60/283973660.db2.gz BGNCCOAWXGEXSB-NSHDSACASA-N -1 0 303.336 -0.302 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)N(C)[C@H](C)C1CC1)C(=O)[O-] ZINC000560479792 283992993 /nfs/dbraw/zinc/99/29/93/283992993.db2.gz AXSCARZUKAHIGQ-VXNVDRBHSA-N -1 0 308.356 -0.433 20 0 DBADRM CCOC[C@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-] ZINC000562230323 284006971 /nfs/dbraw/zinc/00/69/71/284006971.db2.gz IFPRVTBHGIEQGJ-QMMMGPOBSA-N -1 0 303.340 -0.260 20 0 DBADRM COCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000562483452 284011546 /nfs/dbraw/zinc/01/15/46/284011546.db2.gz ZLKFCASDOFSHCU-NEPJUHHUSA-N -1 0 317.363 -0.391 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000562581676 284012829 /nfs/dbraw/zinc/01/28/29/284012829.db2.gz NIXXTBYCCHXERM-UHFFFAOYSA-N -1 0 307.372 -0.856 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC(C)(C)[C@@H]1C(=O)[O-] ZINC000562736919 284014021 /nfs/dbraw/zinc/01/40/21/284014021.db2.gz HXMZQUCRRXFFQK-JTQLQIEISA-N -1 0 322.383 -0.089 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2CCS(=O)(=O)CC2)c1 ZINC000563070634 284021575 /nfs/dbraw/zinc/02/15/75/284021575.db2.gz FYUPIRMPLKKWSS-UHFFFAOYSA-N -1 0 309.321 -0.603 20 0 DBADRM CCOc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000562968150 284017886 /nfs/dbraw/zinc/01/78/86/284017886.db2.gz XBBNKYCAHYBYIZ-SNVBAGLBSA-N -1 0 316.335 -0.046 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)CCOCC1CC1 ZINC000562999391 284019486 /nfs/dbraw/zinc/01/94/86/284019486.db2.gz MHZGSYKKCSTOPI-LLVKDONJSA-N -1 0 317.367 -0.249 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000563130539 284025409 /nfs/dbraw/zinc/02/54/09/284025409.db2.gz LEIVOIMJSCAYKC-KXUCPTDWSA-N -1 0 320.367 -0.841 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)CCS1(=O)=O ZINC000563130286 284025454 /nfs/dbraw/zinc/02/54/54/284025454.db2.gz HSVDIWPEAMMMML-VIFPVBQESA-N -1 0 313.335 -0.389 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)CCn2cccn2)C[C@H]1C(=O)[O-] ZINC000563139622 284025916 /nfs/dbraw/zinc/02/59/16/284025916.db2.gz AFUKUYOPYXWNTM-VXGBXAGGSA-N -1 0 322.365 -0.089 20 0 DBADRM Cc1ncc2c(n1)CCN(C(=O)C(=O)NCCCC(=O)[O-])C2 ZINC000563139762 284026002 /nfs/dbraw/zinc/02/60/02/284026002.db2.gz AOLWOADUCRUCOD-UHFFFAOYSA-N -1 0 306.322 -0.349 20 0 DBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2cnn(C)c2)C1 ZINC000563079366 284021891 /nfs/dbraw/zinc/02/18/91/284021891.db2.gz FNIDCDZBCBHKBV-DTWKUNHWSA-N -1 0 303.340 -0.327 20 0 DBADRM COCCO[C@H]1C[C@@H](CO)CN(C(=O)NCCCC(=O)[O-])C1 ZINC000563092291 284022535 /nfs/dbraw/zinc/02/25/35/284022535.db2.gz JFAHYPNSBDRVGU-NEPJUHHUSA-N -1 0 318.370 -0.093 20 0 DBADRM N=c1nc(N2CCc3[nH]nc(C(=O)[O-])c3C2)nc2[nH][nH]cc1-2 ZINC000563214007 284029353 /nfs/dbraw/zinc/02/93/53/284029353.db2.gz KJJOPHYDUJREJW-UHFFFAOYSA-N -1 0 300.282 -0.299 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H](Cc1ccco1)C(=O)[O-] ZINC000563716155 284047690 /nfs/dbraw/zinc/04/76/90/284047690.db2.gz NDPYALFKDBLEHO-WCBMZHEXSA-N -1 0 318.351 -0.329 20 0 DBADRM CN(CCN=c1nn[n-]n1C)S(=O)(=O)c1ccc(F)cc1 ZINC000563671658 284046642 /nfs/dbraw/zinc/04/66/42/284046642.db2.gz BBNAMGCDHXVGFL-UHFFFAOYSA-N -1 0 314.346 -0.496 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CN1CC(=O)NC1=O ZINC000262327541 304140815 /nfs/dbraw/zinc/14/08/15/304140815.db2.gz DMKDWIVMHDZICQ-GUBZILKMSA-N -1 0 309.322 -0.218 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000563799617 284049262 /nfs/dbraw/zinc/04/92/62/284049262.db2.gz OZNRBHABYQXQMY-JTQLQIEISA-N -1 0 314.338 -0.231 20 0 DBADRM NC(=O)[C@]1(NC(=O)c2nn(-c3ccccc3)cc2[O-])CCOC1 ZINC000563974484 284054018 /nfs/dbraw/zinc/05/40/18/284054018.db2.gz XTLKFMIILHLFHG-HNNXBMFYSA-N -1 0 316.317 -0.048 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)CCCC(=O)OC)C(=O)[O-] ZINC000564392864 284059869 /nfs/dbraw/zinc/05/98/69/284059869.db2.gz GAHDSZIWIRZJJS-WPRPVWTQSA-N -1 0 311.356 -0.527 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000564509139 284061568 /nfs/dbraw/zinc/06/15/68/284061568.db2.gz MYBRUAWMYCNURT-VHSXEESVSA-N -1 0 317.367 -0.127 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cn1C ZINC000564856203 284069178 /nfs/dbraw/zinc/06/91/78/284069178.db2.gz MJAUBCJFCNETNQ-ZKCHVHJHSA-N -1 0 316.335 -0.047 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(N(C)C)nc1)C(=O)[O-] ZINC000564726522 284065588 /nfs/dbraw/zinc/06/55/88/284065588.db2.gz PATRXRVMOKGCQN-SECBINFHSA-N -1 0 303.340 -0.475 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000564824392 284067864 /nfs/dbraw/zinc/06/78/64/284067864.db2.gz MIINRNOANDSSPS-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM Cc1nc(N(C)C)nc(N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC000564841346 284068779 /nfs/dbraw/zinc/06/87/79/284068779.db2.gz VFEVKCSOKQVYCY-VIFPVBQESA-N -1 0 318.341 -0.013 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCc2ccnn2C)C[C@@H]1C(=O)[O-] ZINC000564987608 284076730 /nfs/dbraw/zinc/07/67/30/284076730.db2.gz ZNIGFIGKCIWUNJ-ONGXEEELSA-N -1 0 308.338 -0.395 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)nn1 ZINC000565032435 284078649 /nfs/dbraw/zinc/07/86/49/284078649.db2.gz BEHAMNNTLJEILG-GHMZBOCLSA-N -1 0 310.310 -0.617 20 0 DBADRM O=C([O-])c1ccc(N2CCC[C@@](O)(Cn3ccnn3)C2)nn1 ZINC000565039969 284078983 /nfs/dbraw/zinc/07/89/83/284078983.db2.gz FJNXOIHDCUNHRY-ZDUSSCGKSA-N -1 0 304.310 -0.202 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)C1(C(=O)[O-])CC1 ZINC000565048117 284079616 /nfs/dbraw/zinc/07/96/16/284079616.db2.gz SLUXYKRQMPNEFK-BDAKNGLRSA-N -1 0 304.368 -0.315 20 0 DBADRM Cn1c(CN2CCN(C(=O)C(=O)[O-])CC2)nnc1C1CCC1 ZINC000565044044 284079664 /nfs/dbraw/zinc/07/96/64/284079664.db2.gz LSRRODIZQFVXMP-UHFFFAOYSA-N -1 0 307.354 -0.189 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@H]1CCCO1)[C@@H]1CCCOC1 ZINC000565477039 284096221 /nfs/dbraw/zinc/09/62/21/284096221.db2.gz XOKMDEHUOFFCII-GMTAPVOTSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@@H]1CCCO1)[C@H]1CCCOC1 ZINC000565477038 284096332 /nfs/dbraw/zinc/09/63/32/284096332.db2.gz XOKMDEHUOFFCII-GARJFASQSA-N -1 0 307.368 -0.035 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)CCOC(F)(F)F ZINC000565572201 284099258 /nfs/dbraw/zinc/09/92/58/284099258.db2.gz XGANHSDMFBBMKN-UHFFFAOYSA-N -1 0 309.262 -0.114 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-] ZINC000565604903 284100162 /nfs/dbraw/zinc/10/01/62/284100162.db2.gz WXLNNBCUHJBENY-SECBINFHSA-N -1 0 304.324 -0.142 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC000565654903 284101417 /nfs/dbraw/zinc/10/14/17/284101417.db2.gz OLOMRBKXRIZDMT-NSHDSACASA-N -1 0 303.340 -0.061 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)ncn1 ZINC000565951799 284107904 /nfs/dbraw/zinc/10/79/04/284107904.db2.gz PGLISFWIANHQPO-DTWKUNHWSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ncn1 ZINC000565951786 284108090 /nfs/dbraw/zinc/10/80/90/284108090.db2.gz PGLISFWIANHQPO-BDAKNGLRSA-N -1 0 322.321 -0.007 20 0 DBADRM COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000331248583 291480209 /nfs/dbraw/zinc/48/02/09/291480209.db2.gz WYRIGORRSATHNS-VIFPVBQESA-N -1 0 314.244 -0.216 20 0 DBADRM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000262921917 294650293 /nfs/dbraw/zinc/65/02/93/294650293.db2.gz IVBITOQGBXGQKL-DTWKUNHWSA-N -1 0 307.368 -0.100 20 0 DBADRM N#Cc1cncc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC000320012428 374260488 /nfs/dbraw/zinc/26/04/88/374260488.db2.gz VLPXSJTXETWLGJ-UHFFFAOYSA-N -1 0 322.306 -0.779 20 0 DBADRM Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCc1nnn[n-]1 ZINC000605305796 374268167 /nfs/dbraw/zinc/26/81/67/374268167.db2.gz ICUROSCSTWFDPX-LLVKDONJSA-N -1 0 313.325 -0.405 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)OC)C(=O)OC ZINC000530485541 374275602 /nfs/dbraw/zinc/27/56/02/374275602.db2.gz NRLKKZNXXCYTOA-LPEHRKFASA-N -1 0 323.367 -0.565 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC)C(=O)OC ZINC000530485539 374275639 /nfs/dbraw/zinc/27/56/39/374275639.db2.gz NRLKKZNXXCYTOA-GUBZILKMSA-N -1 0 323.367 -0.565 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1C ZINC000530488317 374277537 /nfs/dbraw/zinc/27/75/37/374277537.db2.gz HIPZSJKSDBNONB-JTQLQIEISA-N -1 0 313.339 -0.136 20 0 DBADRM Cn1[n-]nnc1=NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000533560413 374391945 /nfs/dbraw/zinc/39/19/45/374391945.db2.gz NOGQTGFRSVZVRM-UHFFFAOYSA-N -1 0 322.803 -0.263 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000038020914 374401169 /nfs/dbraw/zinc/40/11/69/374401169.db2.gz NTCYKKGFSJBNAO-UHFFFAOYSA-N -1 0 303.340 -0.391 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)CSCC(=O)[O-])cc1 ZINC000157456239 374433048 /nfs/dbraw/zinc/43/30/48/374433048.db2.gz GEGAYWCHSTZHNV-UHFFFAOYSA-N -1 0 318.376 -0.232 20 0 DBADRM COC[C@@H](CNC(=O)N1CC[C@@](COC)(C(=O)[O-])C1)OC ZINC000314876737 374418645 /nfs/dbraw/zinc/41/86/45/374418645.db2.gz GLYKSMXBUQEEQE-ZWNOBZJWSA-N -1 0 304.343 -0.220 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCCOCC(=O)[O-])cc1 ZINC000093228362 374425342 /nfs/dbraw/zinc/42/53/42/374425342.db2.gz LRBCZDMQMAXNCM-UHFFFAOYSA-N -1 0 317.319 -0.147 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CC1CC1 ZINC000124645288 374428172 /nfs/dbraw/zinc/42/81/72/374428172.db2.gz PAEKRZWIJGPUCQ-SECBINFHSA-N -1 0 311.381 -0.700 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000130825396 374428960 /nfs/dbraw/zinc/42/89/60/374428960.db2.gz BIMXISNEMCXYET-SNVBAGLBSA-N -1 0 319.339 -0.582 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000130825180 374430508 /nfs/dbraw/zinc/43/05/08/374430508.db2.gz BIMXISNEMCXYET-JTQLQIEISA-N -1 0 319.339 -0.582 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCCCn2cccn2)C1 ZINC000134433264 374432390 /nfs/dbraw/zinc/43/23/90/374432390.db2.gz GOTMQMBSKJHYAP-LLVKDONJSA-N -1 0 316.383 -0.096 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NC[C@H]1COCCO1 ZINC000134691543 374432505 /nfs/dbraw/zinc/43/25/05/374432505.db2.gz QFWGPKQCNUIAHR-LURJTMIESA-N -1 0 308.337 -0.465 20 0 DBADRM COC(=O)c1ccsc1N1CC[C@H](N=c2nn[n-]n2C)C1=O ZINC000530857121 374448181 /nfs/dbraw/zinc/44/81/81/374448181.db2.gz MDDUMPCLGVNDBL-QMMMGPOBSA-N -1 0 322.350 -0.303 20 0 DBADRM COC(=O)c1ccsc1N1CC[C@@H](N=c2nn[n-]n2C)C1=O ZINC000530857108 374448610 /nfs/dbraw/zinc/44/86/10/374448610.db2.gz MDDUMPCLGVNDBL-MRVPVSSYSA-N -1 0 322.350 -0.303 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000032918158 374459832 /nfs/dbraw/zinc/45/98/32/374459832.db2.gz NRDFZNJOWYHGMA-UHFFFAOYSA-N -1 0 315.351 -0.044 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCn2cccn2)C[C@H]1C(=O)[O-] ZINC000584053454 374473689 /nfs/dbraw/zinc/47/36/89/374473689.db2.gz LYXWTFOBNUNOAX-WDEREUQCSA-N -1 0 308.338 -0.432 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000616535440 374538211 /nfs/dbraw/zinc/53/82/11/374538211.db2.gz HVGPAFHUKLUMER-KNVOCYPGSA-N -1 0 313.335 -0.967 20 0 DBADRM COC(=O)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]1)Oc1ccc(F)cc1 ZINC000536347444 374538739 /nfs/dbraw/zinc/53/87/39/374538739.db2.gz FXTBAZCTMDIWAR-SECBINFHSA-N -1 0 324.268 0.000 20 0 DBADRM CO[C@@](C)(CO)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000616688467 374554989 /nfs/dbraw/zinc/55/49/89/374554989.db2.gz SIUCPSUFPRAWBT-GFCCVEGCSA-N -1 0 318.351 -0.833 20 0 DBADRM NC(=O)[C@]1(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CCOC1 ZINC000616709472 374556093 /nfs/dbraw/zinc/55/60/93/374556093.db2.gz HJXXHSTZDHLNQE-AWEZNQCLSA-N -1 0 318.289 -0.596 20 0 DBADRM O=C([O-])c1cn(CCNS(=O)(=O)C[C@H]2CCCO2)nn1 ZINC000089696069 374637376 /nfs/dbraw/zinc/63/73/76/374637376.db2.gz XDSUQWBLWOJDNW-MRVPVSSYSA-N -1 0 304.328 -0.925 20 0 DBADRM O=C([O-])[C@@H](CF)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000568624127 374606187 /nfs/dbraw/zinc/60/61/87/374606187.db2.gz CQOFEYMHOZSRGO-VXNVDRBHSA-N -1 0 307.303 -0.455 20 0 DBADRM CCO[C@@H]1C[C@H](NS(=O)(=O)[C@@H]2CC(=O)N(CC)C2)[C@H]1OC ZINC000632212090 374615258 /nfs/dbraw/zinc/61/52/58/374615258.db2.gz FZSRIXPUXAGLSG-LSCVPOLPSA-N -1 0 320.411 -0.281 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCS(=O)(=O)N(C)C)C1 ZINC000263361584 374621054 /nfs/dbraw/zinc/62/10/54/374621054.db2.gz SCBZFMIVSLKXLH-NXEZZACHSA-N -1 0 321.399 -0.370 20 0 DBADRM CN(CC(=O)NC[C@@](C)(O)C(=O)[O-])C(=O)c1cccs1 ZINC000090275351 374661893 /nfs/dbraw/zinc/66/18/93/374661893.db2.gz FFBDOERLJRSITL-GFCCVEGCSA-N -1 0 300.336 -0.228 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000600451015 374738644 /nfs/dbraw/zinc/73/86/44/374738644.db2.gz LHIMGOLMZCDLEA-SNVBAGLBSA-N -1 0 321.289 -0.316 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N(CC(=O)[O-])C2CC2)C1 ZINC000400098719 374807278 /nfs/dbraw/zinc/80/72/78/374807278.db2.gz ACSOMJKMXDXXST-SECBINFHSA-N -1 0 319.383 -0.331 20 0 DBADRM CCN(CC)C(=O)N1CCC(C(=O)NCc2nnn[n-]2)CC1 ZINC000600496851 374786481 /nfs/dbraw/zinc/78/64/81/374786481.db2.gz HJSIBEAHZUMLOT-UHFFFAOYSA-N -1 0 309.374 -0.010 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)(F)F ZINC000408213654 374789363 /nfs/dbraw/zinc/78/93/63/374789363.db2.gz ICKJILHXVKPLCU-SSDOTTSWSA-N -1 0 304.290 -0.285 20 0 DBADRM CN1CCN([C@@H](C(=O)[N-]OCC(N)=O)c2ccccc2)CC1 ZINC000089464201 374790370 /nfs/dbraw/zinc/79/03/70/374790370.db2.gz NWLKSKIHGPMALI-CQSZACIVSA-N -1 0 306.366 -0.492 20 0 DBADRM CCn1nc(C(=O)NC2(c3nnn[n-]3)CCCC2)ccc1=O ZINC000605531435 374881530 /nfs/dbraw/zinc/88/15/30/374881530.db2.gz ZPXMRURMUPUPHY-UHFFFAOYSA-N -1 0 303.326 -0.024 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)NC1(c2nnn[n-]2)CCCC1 ZINC000605532196 374884003 /nfs/dbraw/zinc/88/40/03/374884003.db2.gz RESICIJYADZTSL-UHFFFAOYSA-N -1 0 322.369 -0.276 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000400181827 374887754 /nfs/dbraw/zinc/88/77/54/374887754.db2.gz HMEFMYOZIVGVKS-IUCAKERBSA-N -1 0 305.356 -0.864 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)N[C@@H](C(=O)[O-])C2CC2)CC1 ZINC000400180405 374888410 /nfs/dbraw/zinc/88/84/10/374888410.db2.gz GWXBTRMNQXSJLY-SNVBAGLBSA-N -1 0 319.383 -0.427 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000400181823 374888908 /nfs/dbraw/zinc/88/89/08/374888908.db2.gz HMEFMYOZIVGVKS-BDAKNGLRSA-N -1 0 305.356 -0.864 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cnc(C)n1C)C(=O)[O-] ZINC000600655421 374836632 /nfs/dbraw/zinc/83/66/32/374836632.db2.gz OOAOYMCDOUEPSO-MRVPVSSYSA-N -1 0 319.339 -0.587 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC000600660150 374837701 /nfs/dbraw/zinc/83/77/01/374837701.db2.gz REZUDEAKFFRTTR-NKWVEPMBSA-N -1 0 315.294 -0.081 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)CN2CC(=O)N(C)C2=O)[n-]1 ZINC000600823472 374858900 /nfs/dbraw/zinc/85/89/00/374858900.db2.gz CTMJJRFETFKRIL-UHFFFAOYSA-N -1 0 309.282 -0.581 20 0 DBADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000634805143 374861686 /nfs/dbraw/zinc/86/16/86/374861686.db2.gz FPSSYZALXGNZSW-UWVGGRQHSA-N -1 0 306.384 -0.022 20 0 DBADRM C[C@@](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)(C(=O)[O-])C1CC1 ZINC000400288379 374904922 /nfs/dbraw/zinc/90/49/22/374904922.db2.gz KKGCJQUIKWGTNE-SKDRFNHKSA-N -1 0 319.383 -0.427 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)[O-])cn2)C[C@@H](C)O1 ZINC000368128867 375003463 /nfs/dbraw/zinc/00/34/63/375003463.db2.gz KQFXTEHLAPEHSG-RKDXNWHRSA-N -1 0 310.310 -0.458 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CCCNC2=O)cc1C(=O)[O-] ZINC000050397492 375012265 /nfs/dbraw/zinc/01/22/65/375012265.db2.gz FPWKNMSPKUNJGL-QMMMGPOBSA-N -1 0 301.324 -0.720 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C[C@]2(C(=O)[O-])CCOC2)CC1=O ZINC000634892227 375070438 /nfs/dbraw/zinc/07/04/38/375070438.db2.gz LTMBBMHIPNAPCA-YYHMBLRTSA-N -1 0 310.350 -0.007 20 0 DBADRM CC[C@H](C)C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)[O-] ZINC000400596048 375090722 /nfs/dbraw/zinc/09/07/22/375090722.db2.gz BDYRSADDEMOYSN-UWVGGRQHSA-N -1 0 311.338 -0.447 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)C[C@@]1(C(=O)[O-])CCOC1 ZINC000634862365 375063390 /nfs/dbraw/zinc/06/33/90/375063390.db2.gz ZZLLTXNYQVDUGV-AWEZNQCLSA-N -1 0 314.338 -0.815 20 0 DBADRM C[C@@H](NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)C(=O)[O-] ZINC000262694155 375067070 /nfs/dbraw/zinc/06/70/70/375067070.db2.gz ASHWUOZDMRRJIS-MRVPVSSYSA-N -1 0 305.290 -0.331 20 0 DBADRM CN(C(=O)NCCOCC(=O)[O-])[C@@H]1CCCCN(C)C1=O ZINC000635523288 375138262 /nfs/dbraw/zinc/13/82/62/375138262.db2.gz NTHWLHIIAXMRKY-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C)C(=O)OC ZINC000134697351 375142168 /nfs/dbraw/zinc/14/21/68/375142168.db2.gz YNGZIUKULXDBJF-RXMQYKEDSA-N -1 0 308.337 -0.231 20 0 DBADRM CCn1cnc(S(=O)(=O)NCC(=O)NCC(F)(F)F)c1 ZINC000080727094 375146269 /nfs/dbraw/zinc/14/62/69/375146269.db2.gz NYLYQBJMHPLTKD-UHFFFAOYSA-N -1 0 314.289 -0.140 20 0 DBADRM O=C([O-])c1coc(C(=O)NCCN2CCCS2(=O)=O)c1 ZINC000262290260 375152939 /nfs/dbraw/zinc/15/29/39/375152939.db2.gz BLZSSFOVAPYYQL-UHFFFAOYSA-N -1 0 302.308 -0.257 20 0 DBADRM O=c1[n-]c(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)n[nH]1 ZINC000091594652 375172930 /nfs/dbraw/zinc/17/29/30/375172930.db2.gz WKJBZFGYFIPVOW-SECBINFHSA-N -1 0 301.372 -0.490 20 0 DBADRM O=c1[n-]c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)n[nH]1 ZINC000092616879 375176817 /nfs/dbraw/zinc/17/68/17/375176817.db2.gz JBMLWSBULBZLOI-UHFFFAOYSA-N -1 0 323.378 -0.396 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])c1=O ZINC000262726795 375112442 /nfs/dbraw/zinc/11/24/42/375112442.db2.gz GTUIUBLBCVTDIF-BONVTDFDSA-N -1 0 323.349 -0.303 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)NCC1(C(=O)[O-])CC1 ZINC000166952369 375235901 /nfs/dbraw/zinc/23/59/01/375235901.db2.gz ZBGDKVBHGXVSPP-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC000635693159 375241713 /nfs/dbraw/zinc/24/17/13/375241713.db2.gz AESRVUSJHUTDFQ-UHFFFAOYSA-N -1 0 304.358 -0.395 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H](C)CO1 ZINC000146882235 375246747 /nfs/dbraw/zinc/24/67/47/375246747.db2.gz NBUXRKJHNYZPTM-HTQZYQBOSA-N -1 0 304.306 -0.139 20 0 DBADRM O=C(NC[C@@H]1CCCCO1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000140661525 375209551 /nfs/dbraw/zinc/20/95/51/375209551.db2.gz HSHFSLRJDSUAEC-VIFPVBQESA-N -1 0 304.306 -0.090 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000635852153 375276092 /nfs/dbraw/zinc/27/60/92/375276092.db2.gz VYCXSIDTIOOAMU-UHFFFAOYSA-N -1 0 306.248 -0.287 20 0 DBADRM COC(C)(C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000569972505 375326693 /nfs/dbraw/zinc/32/66/93/375326693.db2.gz ZCRDHRCXRBXEPK-SECBINFHSA-N -1 0 305.356 -0.110 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1C[C@H](C)O[C@H](C)[C@H]1C(=O)[O-] ZINC000569847419 375318867 /nfs/dbraw/zinc/31/88/67/375318867.db2.gz VBMZTWGMTSYYGQ-NGZCFLSTSA-N -1 0 323.367 -0.168 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000569692931 375256870 /nfs/dbraw/zinc/25/68/70/375256870.db2.gz WJEICQKQYOZLBM-VIFPVBQESA-N -1 0 306.322 -0.450 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000570057661 375332495 /nfs/dbraw/zinc/33/24/95/375332495.db2.gz AOTRYIKRGGHXEZ-MGCOHNPYSA-N -1 0 322.383 -0.690 20 0 DBADRM O=C([O-])Cn1cc(CNC(=O)c2cnn3ccccc23)nn1 ZINC000318408901 375333254 /nfs/dbraw/zinc/33/32/54/375333254.db2.gz WAINBYGGHIQBSN-UHFFFAOYSA-N -1 0 300.278 -0.060 20 0 DBADRM CN(Cc1cnccn1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000570088506 375334853 /nfs/dbraw/zinc/33/48/53/375334853.db2.gz IMUDVEOCLQCZNW-JTQLQIEISA-N -1 0 300.340 -0.298 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)C1 ZINC000570166456 375338023 /nfs/dbraw/zinc/33/80/23/375338023.db2.gz IQEHSVWYTDIETI-JOYOIKCWSA-N -1 0 306.384 -0.020 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000570284339 375349256 /nfs/dbraw/zinc/34/92/56/375349256.db2.gz GUUWFFJFKDNLMR-NTCNTBNZSA-N -1 0 313.397 -0.741 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)cn1C ZINC000570323608 375351049 /nfs/dbraw/zinc/35/10/49/375351049.db2.gz YJAWODQVDVGZCL-GXSJLCMTSA-N -1 0 317.367 -0.113 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000262854863 375365441 /nfs/dbraw/zinc/36/54/41/375365441.db2.gz XWXYJRUOGKYXED-UHFFFAOYSA-N -1 0 320.305 -0.031 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])c1 ZINC000570898918 375400017 /nfs/dbraw/zinc/40/00/17/375400017.db2.gz FOCUBNXFEQEHTQ-IUCAKERBSA-N -1 0 303.340 -0.422 20 0 DBADRM CO[C@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2ccnn2C)C1 ZINC000570925958 375400104 /nfs/dbraw/zinc/40/01/04/375400104.db2.gz MEHGXHNYCAQFKH-IUCAKERBSA-N -1 0 303.340 -0.327 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000052785818 375383733 /nfs/dbraw/zinc/38/37/33/375383733.db2.gz YGFFORRIOODGKB-SECBINFHSA-N -1 0 305.356 -0.195 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])CCC1 ZINC000589681092 375458940 /nfs/dbraw/zinc/45/89/40/375458940.db2.gz ZLUVOXZRTANXOV-SECBINFHSA-N -1 0 321.351 -0.555 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000574917218 375403425 /nfs/dbraw/zinc/40/34/25/375403425.db2.gz XXDASGAESIQDTQ-TXEJJXNPSA-N -1 0 320.301 -0.051 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000262764647 375469066 /nfs/dbraw/zinc/46/90/66/375469066.db2.gz KIZBIWGHFBIEFR-VIFPVBQESA-N -1 0 311.342 -0.308 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCNC(=O)C2(C)C)cc1C(=O)[O-] ZINC000110661364 375469983 /nfs/dbraw/zinc/46/99/83/375469983.db2.gz XSZONKAKEHTYGP-UHFFFAOYSA-N -1 0 315.351 -0.378 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cn1 ZINC000580081109 375428309 /nfs/dbraw/zinc/42/83/09/375428309.db2.gz CXIDUAOSPLHDCT-SECBINFHSA-N -1 0 301.324 -0.613 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC2(C(=O)[O-])CC2)C1 ZINC000201932160 375435836 /nfs/dbraw/zinc/43/58/36/375435836.db2.gz ZVGZXRXFVVHOFD-SECBINFHSA-N -1 0 320.367 -0.287 20 0 DBADRM COc1ccc(S(=O)(=O)NC2(C(=O)[O-])CC2)cc1C(N)=O ZINC000201933368 375436194 /nfs/dbraw/zinc/43/61/94/375436194.db2.gz LHQULXIKNPGSMK-UHFFFAOYSA-N -1 0 314.319 -0.310 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000580196519 375447982 /nfs/dbraw/zinc/44/79/82/375447982.db2.gz PTAAMFBKLXIWHI-NXEZZACHSA-N -1 0 314.338 -0.375 20 0 DBADRM CC(C)C1(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000175830631 375498666 /nfs/dbraw/zinc/49/86/66/375498666.db2.gz CUQNHVRTMGORBU-UHFFFAOYSA-N -1 0 315.395 -0.202 20 0 DBADRM COC(=O)C[C@H](C)N1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000601363233 375588087 /nfs/dbraw/zinc/58/80/87/375588087.db2.gz VTPZJROALKLEQS-JTQLQIEISA-N -1 0 316.383 -0.332 20 0 DBADRM COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000601363234 375589554 /nfs/dbraw/zinc/58/95/54/375589554.db2.gz VTPZJROALKLEQS-SNVBAGLBSA-N -1 0 316.383 -0.332 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000363927575 375556661 /nfs/dbraw/zinc/55/66/61/375556661.db2.gz MGYCJNQUEYLZGH-VIFPVBQESA-N -1 0 308.338 -0.187 20 0 DBADRM Cc1ccsc1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643153374 375623960 /nfs/dbraw/zinc/62/39/60/375623960.db2.gz UIWNADUVEONOCS-SECBINFHSA-N -1 0 312.347 -0.015 20 0 DBADRM COC(=O)C(C)(C)N1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000601396025 375599402 /nfs/dbraw/zinc/59/94/02/375599402.db2.gz KFVKCVGOAIWNOR-UHFFFAOYSA-N -1 0 316.383 -0.332 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2Cc3ccccc32)CCO1 ZINC000643156763 375637317 /nfs/dbraw/zinc/63/73/17/375637317.db2.gz TVWVEQFSWWDYPE-WCQYABFASA-N -1 0 318.329 -0.246 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cn1 ZINC000364419587 375637573 /nfs/dbraw/zinc/63/75/73/375637573.db2.gz REJJFVPVMNGUCL-SECBINFHSA-N -1 0 303.340 -0.233 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCOC2CCCC2)CCO1 ZINC000643156797 375637624 /nfs/dbraw/zinc/63/76/24/375637624.db2.gz YHJIPTLZFJHJEM-NSHDSACASA-N -1 0 314.338 -0.626 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@H]2Cc3ccccc32)CCO1 ZINC000643156762 375638073 /nfs/dbraw/zinc/63/80/73/375638073.db2.gz TVWVEQFSWWDYPE-DGCLKSJQSA-N -1 0 318.329 -0.246 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000616248373 375645647 /nfs/dbraw/zinc/64/56/47/375645647.db2.gz MTOVLYRUJQZEEN-GXSJLCMTSA-N -1 0 316.335 -0.817 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000616985590 375693551 /nfs/dbraw/zinc/69/35/51/375693551.db2.gz OSDZIZMECYQGHW-UHFFFAOYSA-N -1 0 308.342 -0.126 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C(C)C ZINC000643167218 375668631 /nfs/dbraw/zinc/66/86/31/375668631.db2.gz WRJVZXPKAFCFQK-NXEZZACHSA-N -1 0 302.327 -0.914 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3cnoc3)cnc21 ZINC000590695676 375671541 /nfs/dbraw/zinc/67/15/41/375671541.db2.gz XWWDKNKTIMFVRV-UHFFFAOYSA-N -1 0 323.290 -0.177 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCCS2)CCO1 ZINC000643168564 375690065 /nfs/dbraw/zinc/69/00/65/375690065.db2.gz GCHXFOHUAKJMLZ-NXEZZACHSA-N -1 0 316.379 -0.300 20 0 DBADRM CCC(O)(CC)CCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643169342 375701262 /nfs/dbraw/zinc/70/12/62/375701262.db2.gz RNMLRHAMFKSQRX-SNVBAGLBSA-N -1 0 316.354 -0.644 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC2(C3CC3)CCC2)CCO1 ZINC000643169828 375701653 /nfs/dbraw/zinc/70/16/53/375701653.db2.gz IZPDWCAMDMFKMO-NSHDSACASA-N -1 0 310.350 -0.005 20 0 DBADRM CSCCCCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591459276 375716037 /nfs/dbraw/zinc/71/60/37/375716037.db2.gz WLKRTLCPBHPZCD-JTQLQIEISA-N -1 0 318.395 -0.052 20 0 DBADRM CSCC[C@@H](C)N(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591568502 375718279 /nfs/dbraw/zinc/71/82/79/375718279.db2.gz PKSJUOIONPISQV-NXEZZACHSA-N -1 0 318.395 -0.102 20 0 DBADRM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)[C@@H]1COC[C@@H]1OC ZINC000591696920 375741492 /nfs/dbraw/zinc/74/14/92/375741492.db2.gz JUDQULSAZKVCFZ-BIIVOSGPSA-N -1 0 317.310 -0.484 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@H](C)C(=O)OC)C1 ZINC000591744822 375743787 /nfs/dbraw/zinc/74/37/87/375743787.db2.gz PBELCOLWKNNJAH-CABZTGNLSA-N -1 0 323.367 -0.452 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H](C)C(=O)OC)C1 ZINC000591744824 375743820 /nfs/dbraw/zinc/74/38/20/375743820.db2.gz PBELCOLWKNNJAH-SKDRFNHKSA-N -1 0 323.367 -0.452 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000592195807 375782508 /nfs/dbraw/zinc/78/25/08/375782508.db2.gz KWINWLUHUSJPMO-GXSJLCMTSA-N -1 0 306.322 -0.622 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000592195813 375783186 /nfs/dbraw/zinc/78/31/86/375783186.db2.gz KWINWLUHUSJPMO-MWLCHTKSSA-N -1 0 306.322 -0.622 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000592372425 375797021 /nfs/dbraw/zinc/79/70/21/375797021.db2.gz WZNIHPCLSUTGKR-SZEHBUNVSA-N -1 0 300.311 -0.767 20 0 DBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cscn2)n1 ZINC000592382257 375797216 /nfs/dbraw/zinc/79/72/16/375797216.db2.gz KKHPAKPBURRNEJ-UHFFFAOYSA-N -1 0 303.325 -0.292 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000592440006 375804036 /nfs/dbraw/zinc/80/40/36/375804036.db2.gz DTAMATLHECNMAP-ZCBMBIDYSA-N -1 0 318.395 -0.561 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000592440005 375804312 /nfs/dbraw/zinc/80/43/12/375804312.db2.gz DTAMATLHECNMAP-VAGNRZNMSA-N -1 0 318.395 -0.561 20 0 DBADRM CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000643173371 375820977 /nfs/dbraw/zinc/82/09/77/375820977.db2.gz MTEMSFCOICJREY-OUAUKWLOSA-N -1 0 314.338 -0.629 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1cnn2c1OCCC2)C(=O)[O-] ZINC000567811194 375786814 /nfs/dbraw/zinc/78/68/14/375786814.db2.gz WSOPTCPYLDLNOJ-NSHDSACASA-N -1 0 319.339 -0.566 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)[C@H]1CCO[C@@H](C)C1)C(=O)[O-] ZINC000593255976 375853893 /nfs/dbraw/zinc/85/38/93/375853893.db2.gz AVTQUWTUCICUIG-LPEHRKFASA-N -1 0 323.367 -0.120 20 0 DBADRM C[C@H](CSCCNS(=O)(=O)c1cnnn1C)C(=O)[O-] ZINC000593275309 375853952 /nfs/dbraw/zinc/85/39/52/375853952.db2.gz XBTZXZQDSAYGCI-SSDOTTSWSA-N -1 0 308.385 -0.453 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000593290098 375855270 /nfs/dbraw/zinc/85/52/70/375855270.db2.gz CZUFKHDPGNGCRC-UTLUCORTSA-N -1 0 301.343 -0.215 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](CO)CCF ZINC000593655862 375878421 /nfs/dbraw/zinc/87/84/21/375878421.db2.gz DOIBKFQBOLCZSP-LURJTMIESA-N -1 0 312.344 -0.072 20 0 DBADRM COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000593919888 375896854 /nfs/dbraw/zinc/89/68/54/375896854.db2.gz CPXJKSJCDDSMBY-WDEREUQCSA-N -1 0 308.290 -0.082 20 0 DBADRM C[C@H]1C[C@@H](O)CN1C(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000643179820 375903426 /nfs/dbraw/zinc/90/34/26/375903426.db2.gz OORNUPKEEAPJRG-JOYOIKCWSA-N -1 0 306.318 -0.017 20 0 DBADRM C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000643179818 375903794 /nfs/dbraw/zinc/90/37/94/375903794.db2.gz OORNUPKEEAPJRG-BXKDBHETSA-N -1 0 306.318 -0.017 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1cccc(OC)c1F ZINC000594470404 375929161 /nfs/dbraw/zinc/92/91/61/375929161.db2.gz BHMBSYIPDVVETF-ZETCQYMHSA-N -1 0 307.299 -0.354 20 0 DBADRM COC(=O)C1(C(=O)CSc2n[n-]c3nc(=O)c(C)nn32)CC1 ZINC000594448019 375931139 /nfs/dbraw/zinc/93/11/39/375931139.db2.gz OCOLLKKVWVYYRZ-UHFFFAOYSA-N -1 0 323.334 -0.265 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@](C)(CO)OC ZINC000594486375 375932577 /nfs/dbraw/zinc/93/25/77/375932577.db2.gz YNGSFEYNTZWBFT-JTQLQIEISA-N -1 0 324.380 -0.395 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000594543856 375933973 /nfs/dbraw/zinc/93/39/73/375933973.db2.gz INLVAYJPSDODJV-NXEZZACHSA-N -1 0 314.338 -0.519 20 0 DBADRM COC(=O)C1CCC(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000594528758 375935735 /nfs/dbraw/zinc/93/57/35/375935735.db2.gz CZODUCYCZMSSAR-IDKOKCKLSA-N -1 0 314.338 -0.329 20 0 DBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000594529815 375936095 /nfs/dbraw/zinc/93/60/95/375936095.db2.gz MGXWZQROPCVJKC-BDAKNGLRSA-N -1 0 302.327 -0.473 20 0 DBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000594529817 375936148 /nfs/dbraw/zinc/93/61/48/375936148.db2.gz MGXWZQROPCVJKC-IUCAKERBSA-N -1 0 302.327 -0.473 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])c[nH]1 ZINC000594572762 375938352 /nfs/dbraw/zinc/93/83/52/375938352.db2.gz ABBBNMGAZHNVSY-ZETCQYMHSA-N -1 0 308.287 -0.108 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)NCc1nocc1C(=O)[O-] ZINC000594572325 375938485 /nfs/dbraw/zinc/93/84/85/375938485.db2.gz ZMRHPHWEODLDSP-LURJTMIESA-N -1 0 306.296 -0.399 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc3c(n2)OCCO3)c1[O-] ZINC000594683484 375941532 /nfs/dbraw/zinc/94/15/32/375941532.db2.gz AEWVBLWPTYIYSE-VIFPVBQESA-N -1 0 307.262 -0.159 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000594689876 375942243 /nfs/dbraw/zinc/94/22/43/375942243.db2.gz HAGPZYJKWUYRRA-LBPRGKRZSA-N -1 0 321.351 -0.365 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)CCc1scnc1C ZINC000594768218 375947868 /nfs/dbraw/zinc/94/78/68/375947868.db2.gz SODKTSHRAUBTDI-VIFPVBQESA-N -1 0 322.408 -0.163 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000595276885 375991618 /nfs/dbraw/zinc/99/16/18/375991618.db2.gz WXVKOQCPNFEEHU-VIFPVBQESA-N -1 0 312.322 -0.621 20 0 DBADRM COC(=O)CCN1CCC[C@H](N(C)Cc2n[n-]c(=O)o2)C1=O ZINC000595546914 376015599 /nfs/dbraw/zinc/01/55/99/376015599.db2.gz PSPCVDBZHNEJGG-VIFPVBQESA-N -1 0 312.326 -0.239 20 0 DBADRM CCOC(=O)[C@@H](N)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000595953855 376050428 /nfs/dbraw/zinc/05/04/28/376050428.db2.gz NFLMIVSPQASPNG-VIFPVBQESA-N -1 0 306.282 -0.803 20 0 DBADRM CCOC(=O)CCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000595238159 375985703 /nfs/dbraw/zinc/98/57/03/375985703.db2.gz OZWAKLSANOKEJF-UHFFFAOYSA-N -1 0 309.278 -0.212 20 0 DBADRM COC(=O)C[C@H](CNC(=O)C(=O)NCCC(=O)[O-])C1CC1 ZINC000595275509 375988573 /nfs/dbraw/zinc/98/85/73/375988573.db2.gz GCEWJCUSASZPRU-SECBINFHSA-N -1 0 300.311 -0.717 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000595275673 375989197 /nfs/dbraw/zinc/98/91/97/375989197.db2.gz QYLXUZHHQGBOMF-UHFFFAOYSA-N -1 0 314.338 -0.185 20 0 DBADRM CS[C@H](C)CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595275527 375989694 /nfs/dbraw/zinc/98/96/94/375989694.db2.gz GRJNTDLLMVOKJO-JRKPZEMJSA-N -1 0 316.379 -0.586 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000595276884 375990661 /nfs/dbraw/zinc/99/06/61/375990661.db2.gz WXVKOQCPNFEEHU-SECBINFHSA-N -1 0 312.322 -0.621 20 0 DBADRM C[S@](=O)C1(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000595276669 375991315 /nfs/dbraw/zinc/99/13/15/375991315.db2.gz TYSMBTCLEIMGKI-NRFANRHFSA-N -1 0 316.379 -0.615 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)C(=O)OC ZINC000596702141 376093232 /nfs/dbraw/zinc/09/32/32/376093232.db2.gz LXNWXPRPZCAGDT-SSDOTTSWSA-N -1 0 323.261 -0.237 20 0 DBADRM COC[C@]1(C(=O)OC)CCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC000595998773 376066129 /nfs/dbraw/zinc/06/61/29/376066129.db2.gz YDWQWIJTNLTZPC-AWEZNQCLSA-N -1 0 323.305 -0.031 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)[O-] ZINC000596034978 376066277 /nfs/dbraw/zinc/06/62/77/376066277.db2.gz PEMDBYKLFCGJNG-SNVBAGLBSA-N -1 0 320.367 -0.335 20 0 DBADRM COC(=O)c1oc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)cc1C ZINC000596035621 376066582 /nfs/dbraw/zinc/06/65/82/376066582.db2.gz PZZMSZRGLKWHFB-XPUUQOCRSA-N -1 0 321.307 -0.513 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000596133197 376072115 /nfs/dbraw/zinc/07/21/15/376072115.db2.gz WBDZILSFLAGPNP-GIKCVCJRSA-N -1 0 318.395 -0.513 20 0 DBADRM COC(=O)C[C@H](C)N1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000597327764 376126889 /nfs/dbraw/zinc/12/68/89/376126889.db2.gz CEZLFCCGZDMCTO-JTQLQIEISA-N -1 0 310.354 -0.165 20 0 DBADRM CO[C@@](C)(C(=O)NCc1n[nH]c(=O)[n-]1)C(=O)OC(C)(C)C ZINC000597336383 376126948 /nfs/dbraw/zinc/12/69/48/376126948.db2.gz ITXWIXRSOGXVDW-LBPRGKRZSA-N -1 0 300.315 -0.127 20 0 DBADRM CCOC(=O)C[C@H](CO)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000597677299 376161777 /nfs/dbraw/zinc/16/17/77/376161777.db2.gz HIOJMDUTTLPVIM-ZCFIWIBFSA-N -1 0 304.328 -0.967 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@@H](C)C(=O)[O-])cc1C(N)=O ZINC000054334090 376211541 /nfs/dbraw/zinc/21/15/41/376211541.db2.gz DQAUGSPQOLKCSD-SSDOTTSWSA-N -1 0 316.335 -0.207 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCN2CCCC2=O)on1 ZINC000599340647 376279421 /nfs/dbraw/zinc/27/94/21/376279421.db2.gz XEWRJNROEUIFFH-UHFFFAOYSA-N -1 0 317.323 -0.638 20 0 DBADRM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1nnn[n-]1)C2=O ZINC000599344361 376279658 /nfs/dbraw/zinc/27/96/58/376279658.db2.gz AGOMJCXMDJHQET-AMIZOPFISA-N -1 0 321.341 -0.683 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000054505329 376226857 /nfs/dbraw/zinc/22/68/57/376226857.db2.gz DUYCRRAULHYHJI-ZJUUUORDSA-N -1 0 320.367 -0.289 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C1CC1 ZINC000054505406 376228615 /nfs/dbraw/zinc/22/86/15/376228615.db2.gz XRANZKLWPZWECT-JTQLQIEISA-N -1 0 311.319 -0.002 20 0 DBADRM CNC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)no1)C(C)C ZINC000599268444 376268189 /nfs/dbraw/zinc/26/81/89/376268189.db2.gz ZAHOHFXKVVOLLH-VIFPVBQESA-N -1 0 319.339 -0.490 20 0 DBADRM COC[C@@H](CCO)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599267393 376269018 /nfs/dbraw/zinc/26/90/18/376269018.db2.gz WHEGCOHOIWMUBF-SSDOTTSWSA-N -1 0 308.312 -0.863 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)CC(F)F)on1 ZINC000599298202 376270019 /nfs/dbraw/zinc/27/00/19/376270019.db2.gz VVELRKZHBAMVOE-YFKPBYRVSA-N -1 0 314.266 -0.244 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CF)C(=O)OC)on1 ZINC000599306281 376271895 /nfs/dbraw/zinc/27/18/95/376271895.db2.gz DYUORICSPZARHN-ZCFIWIBFSA-N -1 0 310.259 -0.749 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000599334114 376282686 /nfs/dbraw/zinc/28/26/86/376282686.db2.gz FNFRPTYLHKWKNJ-UHFFFAOYSA-N -1 0 322.350 -0.330 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCN(C)C(=O)C2)on1 ZINC000599286128 376275757 /nfs/dbraw/zinc/27/57/57/376275757.db2.gz DKGOMLGDUWQWRP-ZETCQYMHSA-N -1 0 317.323 -0.640 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCN(C)C(=O)C2)on1 ZINC000599286127 376276019 /nfs/dbraw/zinc/27/60/19/376276019.db2.gz DKGOMLGDUWQWRP-SSDOTTSWSA-N -1 0 317.323 -0.640 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@](C)(CO)OC)on1 ZINC000599336919 376277744 /nfs/dbraw/zinc/27/77/44/376277744.db2.gz PETAXJYCCAISNT-SNVBAGLBSA-N -1 0 308.312 -0.863 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCC(=O)N2)on1 ZINC000599347487 376278709 /nfs/dbraw/zinc/27/87/09/376278709.db2.gz SCLGRQCDPMBBHO-LURJTMIESA-N -1 0 303.296 -0.982 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000599938335 376348111 /nfs/dbraw/zinc/34/81/11/376348111.db2.gz NRVBYSHIGAAHQS-NXEZZACHSA-N -1 0 314.338 -0.375 20 0 DBADRM Cc1cccc2c(=O)n(CCC(=O)NCc3nnn[n-]3)cnc12 ZINC000599333998 376283889 /nfs/dbraw/zinc/28/38/89/376283889.db2.gz CYEBOQIYCZBLAJ-UHFFFAOYSA-N -1 0 313.321 -0.075 20 0 DBADRM O=C(CS(=O)(=O)CCCc1ccccc1)NCc1nnn[n-]1 ZINC000599377689 376286180 /nfs/dbraw/zinc/28/61/80/376286180.db2.gz YIRJBCDRILRCOK-UHFFFAOYSA-N -1 0 323.378 -0.137 20 0 DBADRM C[C@@H](S[C@@H](C)C(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000601991320 376402544 /nfs/dbraw/zinc/40/25/44/376402544.db2.gz FEQBSHPMPRHICV-VHSXEESVSA-N -1 0 318.395 -0.102 20 0 DBADRM C[C@@H](S[C@H](C)C(=O)N1CC(OCC(=O)N(C)C)C1)C(=O)[O-] ZINC000602003871 376403120 /nfs/dbraw/zinc/40/31/20/376403120.db2.gz WNWGHAXXJHTEQL-RKDXNWHRSA-N -1 0 318.395 -0.103 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)NC2(C(=O)[O-])CC2)CC1 ZINC000201860618 376359205 /nfs/dbraw/zinc/35/92/05/376359205.db2.gz OPKTYWOZUCOELY-UHFFFAOYSA-N -1 0 320.367 -0.287 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)CCCC(F)(F)F ZINC000214908604 376506538 /nfs/dbraw/zinc/50/65/38/376506538.db2.gz ONMNQEYIWOHTAU-UHFFFAOYSA-N -1 0 306.262 -0.551 20 0 DBADRM CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)C(=O)[O-])CC1 ZINC000354987176 376529959 /nfs/dbraw/zinc/52/99/59/376529959.db2.gz ZTHXSAUQTYJPGR-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)CCn2ccnc2)CCOC1 ZINC000603291397 376537307 /nfs/dbraw/zinc/53/73/07/376537307.db2.gz DSDRABAUKVFZSE-NSHDSACASA-N -1 0 303.340 -0.865 20 0 DBADRM COC[C@@](C)([N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2)C(=O)OC ZINC000603297247 376541157 /nfs/dbraw/zinc/54/11/57/376541157.db2.gz YTPZWHNFIMRLCJ-BTQIBKBOSA-N -1 0 307.368 -0.196 20 0 DBADRM COC[C@](C)([N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2)C(=O)OC ZINC000603297253 376543492 /nfs/dbraw/zinc/54/34/92/376543492.db2.gz YTPZWHNFIMRLCJ-XNDJQWLSSA-N -1 0 307.368 -0.196 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000071337472 376610591 /nfs/dbraw/zinc/61/05/91/376610591.db2.gz BMJXDGJYDZAGQN-GUBZILKMSA-N -1 0 322.383 -0.185 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])nc1C ZINC000071337490 376610833 /nfs/dbraw/zinc/61/08/33/376610833.db2.gz JPGXQGWOIRTPMB-QMMMGPOBSA-N -1 0 319.339 -0.494 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)N1CCC(C)CC1)C(=O)[O-] ZINC000071337460 376611110 /nfs/dbraw/zinc/61/11/10/376611110.db2.gz QKVVVCKRAGCEBA-VIFPVBQESA-N -1 0 308.356 -0.431 20 0 DBADRM C[C@@]1(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCOC1 ZINC000397234304 376631907 /nfs/dbraw/zinc/63/19/07/376631907.db2.gz OEPMKTKVDGYEJG-NSHDSACASA-N -1 0 303.340 -0.327 20 0 DBADRM COC(=O)CCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000604510610 376632202 /nfs/dbraw/zinc/63/22/02/376632202.db2.gz WIDVLCWQIVGSJO-UHFFFAOYSA-N -1 0 316.335 -0.277 20 0 DBADRM Cc1c(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)cnn1C ZINC000313925590 376642336 /nfs/dbraw/zinc/64/23/36/376642336.db2.gz XEFLTKUBYUFJDO-JTQLQIEISA-N -1 0 313.339 -0.434 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000314699889 376648874 /nfs/dbraw/zinc/64/88/74/376648874.db2.gz LCZJUCZASGSTCA-GFCCVEGCSA-N -1 0 323.367 -0.308 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2)cc1C(=O)[O-] ZINC000314874061 376651300 /nfs/dbraw/zinc/65/13/00/376651300.db2.gz GDEGFZJTYAKYMT-QMMMGPOBSA-N -1 0 315.351 -0.285 20 0 DBADRM COc1c(F)cc(NC(=O)C(=O)NCc2nnn[n-]2)cc1F ZINC000606116760 376726746 /nfs/dbraw/zinc/72/67/46/376726746.db2.gz MXUKKTSMCSPJEF-UHFFFAOYSA-N -1 0 312.236 -0.259 20 0 DBADRM COc1ccc(OC)c(NC(=O)C(=O)NCc2nnn[n-]2)c1 ZINC000606115689 376726861 /nfs/dbraw/zinc/72/68/61/376726861.db2.gz OQZGSTQTEKBYQI-UHFFFAOYSA-N -1 0 306.282 -0.528 20 0 DBADRM CCOCc1cccc(NC(=O)C(=O)NCc2nnn[n-]2)c1 ZINC000606118017 376727893 /nfs/dbraw/zinc/72/78/93/376727893.db2.gz ZOBUPSFZPNMSJT-UHFFFAOYSA-N -1 0 304.310 -0.009 20 0 DBADRM CC(C)NS(=O)(=O)c1ccc(C(=O)NCc2nnn[n-]2)cc1 ZINC000315455576 376671492 /nfs/dbraw/zinc/67/14/92/376671492.db2.gz RIPFHPRHIULJEK-UHFFFAOYSA-N -1 0 324.366 -0.184 20 0 DBADRM COCC[C@H](NC(=O)c1nc2nc(C)cc(C)n2n1)C(=O)[O-] ZINC000261981052 376764726 /nfs/dbraw/zinc/76/47/26/376764726.db2.gz RJXFEZDWEMOIEE-VIFPVBQESA-N -1 0 307.310 -0.039 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)N(CC)CC(=O)[O-])CC1 ZINC000038016927 376735238 /nfs/dbraw/zinc/73/52/38/376735238.db2.gz XEKRYEDFEHGHTA-UHFFFAOYSA-N -1 0 322.383 -0.087 20 0 DBADRM Cn1cc(S(=O)(=O)NCCCS(C)(=O)=O)cc1C(=O)[O-] ZINC000038047234 376738074 /nfs/dbraw/zinc/73/80/74/376738074.db2.gz MQAVHXRXWSVCGL-UHFFFAOYSA-N -1 0 324.380 -0.564 20 0 DBADRM O=C([O-])CCNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000262219505 376786726 /nfs/dbraw/zinc/78/67/26/376786726.db2.gz LCZKLKMCJRSLPB-UHFFFAOYSA-N -1 0 305.290 -0.329 20 0 DBADRM O=C([O-])CCNC(=O)CCNS(=O)(=O)c1cccnc1 ZINC000262235531 376789837 /nfs/dbraw/zinc/78/98/37/376789837.db2.gz NTYNGYFIEXYMHQ-UHFFFAOYSA-N -1 0 301.324 -0.659 20 0 DBADRM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000061181575 376795787 /nfs/dbraw/zinc/79/57/87/376795787.db2.gz DHLLHBWIWCRZBK-MRVPVSSYSA-N -1 0 317.367 -0.002 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000262346008 376813055 /nfs/dbraw/zinc/81/30/55/376813055.db2.gz AFZHGLWTTSGIFY-UHFFFAOYSA-N -1 0 307.306 -0.111 20 0 DBADRM CO[C@@H](C)c1nsc(=NCC2CN(S(C)(=O)=O)C2)[n-]1 ZINC000337876171 376899827 /nfs/dbraw/zinc/89/98/27/376899827.db2.gz QQBITZLYECHUIG-ZETCQYMHSA-N -1 0 306.413 -0.029 20 0 DBADRM CO[C@H](C)c1nsc(=NC[C@H]2CS(=O)(=O)CCO2)[n-]1 ZINC000337881095 376900966 /nfs/dbraw/zinc/90/09/66/376900966.db2.gz URVYJJXCRHZNDX-SFYZADRCSA-N -1 0 307.397 -0.107 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000262348563 304200388 /nfs/dbraw/zinc/20/03/88/304200388.db2.gz VANPAJSRCCLCIS-SNVBAGLBSA-N -1 0 306.274 -0.057 20 0 DBADRM C[C@@H](CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)[O-] ZINC000262498379 376974506 /nfs/dbraw/zinc/97/45/06/376974506.db2.gz HOXJILFNISHIKA-QMMMGPOBSA-N -1 0 313.335 -0.679 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CC(CO)C1 ZINC000331873467 376975111 /nfs/dbraw/zinc/97/51/11/376975111.db2.gz MKFQIZUSLICVPJ-UHFFFAOYSA-N -1 0 320.317 -0.306 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)C(=O)N1CCc2cc(F)ccc21 ZINC000338827599 376977325 /nfs/dbraw/zinc/97/73/25/376977325.db2.gz GVPMFCXHGNFWJN-UHFFFAOYSA-N -1 0 305.269 -0.145 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N(C)CC(=O)[O-])ccc1OC ZINC000262452312 376933341 /nfs/dbraw/zinc/93/33/41/376933341.db2.gz POXCPECYYGIEKL-UHFFFAOYSA-N -1 0 316.335 -0.240 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N(CC(=O)[O-])C(C)C ZINC000262457466 376933480 /nfs/dbraw/zinc/93/34/80/376933480.db2.gz QGWRKUXVJATVDU-UHFFFAOYSA-N -1 0 301.343 -0.660 20 0 DBADRM CN(CC(=O)N1CCSC[C@H]1CC(=O)[O-])S(C)(=O)=O ZINC000262479799 376950716 /nfs/dbraw/zinc/95/07/16/376950716.db2.gz DFUBJNJYOIDBRD-MRVPVSSYSA-N -1 0 310.397 -0.704 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000262597311 377036308 /nfs/dbraw/zinc/03/63/08/377036308.db2.gz JAMRGZYJZOYRNN-UHFFFAOYSA-N -1 0 304.299 -0.305 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1cncc(-n2ccnn2)c1 ZINC000338835551 376981050 /nfs/dbraw/zinc/98/10/50/376981050.db2.gz IKTBVFFHQDQZIH-UHFFFAOYSA-N -1 0 314.309 -0.151 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000262612569 377066590 /nfs/dbraw/zinc/06/65/90/377066590.db2.gz LLJWPQYLGAOKIH-QJPTWQEYSA-N -1 0 310.350 -0.196 20 0 DBADRM COC(=O)CCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000402531700 377088506 /nfs/dbraw/zinc/08/85/06/377088506.db2.gz QXHCXZPFHQFQKD-JTQLQIEISA-N -1 0 319.339 -0.582 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CCC(=O)[O-] ZINC000262928002 377103378 /nfs/dbraw/zinc/10/33/78/377103378.db2.gz WYWOZJPWNQQAQP-MRVPVSSYSA-N -1 0 318.355 -0.980 20 0 DBADRM COC[C@@](C)(NC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-] ZINC000262988645 377105645 /nfs/dbraw/zinc/10/56/45/377105645.db2.gz SDXCBDSEMBSLCK-SECBINFHSA-N -1 0 300.233 -0.339 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N(C)[C@H](C)C(=O)[O-] ZINC000263266566 377192520 /nfs/dbraw/zinc/19/25/20/377192520.db2.gz HJRBSUCXXGOGMS-SECBINFHSA-N -1 0 310.372 -0.738 20 0 DBADRM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCCN1CCOCC1 ZINC000571079845 377143973 /nfs/dbraw/zinc/14/39/73/377143973.db2.gz GXOLXRDTQDRLAC-LBPRGKRZSA-N -1 0 320.411 -0.022 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)NC[C@@H]2COCCO2)c1 ZINC000571163784 377154027 /nfs/dbraw/zinc/15/40/27/377154027.db2.gz KKVKEBLQJBOTLL-SECBINFHSA-N -1 0 302.308 -0.527 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC[C@@H](C)O ZINC000339938898 377158841 /nfs/dbraw/zinc/15/88/41/377158841.db2.gz KARIFHSXSUDFKH-VXNVDRBHSA-N -1 0 319.383 -0.155 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CNC(=O)c1cccc(OC)c1 ZINC000263236614 377181869 /nfs/dbraw/zinc/18/18/69/377181869.db2.gz DSKJDGSQFJNVBW-UHFFFAOYSA-N -1 0 324.333 -0.015 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cn1 ZINC000571320849 377183606 /nfs/dbraw/zinc/18/36/06/377183606.db2.gz POFILPBBZAOMKT-SNVBAGLBSA-N -1 0 315.351 -0.378 20 0 DBADRM COC[C@H](O)CCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000626314194 377214180 /nfs/dbraw/zinc/21/41/80/377214180.db2.gz YFEZUJBCVRDYCW-SNVBAGLBSA-N -1 0 317.367 -0.420 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 ZINC000571400191 377218823 /nfs/dbraw/zinc/21/88/23/377218823.db2.gz DMPRFJIWFGMYDW-UHFFFAOYSA-N -1 0 321.376 -0.064 20 0 DBADRM Cc1nc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)c[nH]1 ZINC000340040829 377220327 /nfs/dbraw/zinc/22/03/27/377220327.db2.gz QNICXJVJEIKUHG-UHFFFAOYSA-N -1 0 312.355 -0.196 20 0 DBADRM Cn1nccc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000340043690 377226893 /nfs/dbraw/zinc/22/68/93/377226893.db2.gz UAYMUXHCVKSDRP-UHFFFAOYSA-N -1 0 316.364 -0.132 20 0 DBADRM O=C(CN1CSCC1=O)NC1(C(=O)[O-])CCSCC1 ZINC000262166384 377267915 /nfs/dbraw/zinc/26/79/15/377267915.db2.gz NIHVXPKSSUWPDL-UHFFFAOYSA-N -1 0 304.393 -0.014 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cnn(C)c1C)C(=O)[O-] ZINC000291865449 377231360 /nfs/dbraw/zinc/23/13/60/377231360.db2.gz KMAFKWWEQPXNGO-QMMMGPOBSA-N -1 0 319.339 -0.587 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC000571516862 377251038 /nfs/dbraw/zinc/25/10/38/377251038.db2.gz SRIVEDKXQHKFIP-NSHDSACASA-N -1 0 303.340 -0.359 20 0 DBADRM O=C([O-])CCCNS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000261714604 377258971 /nfs/dbraw/zinc/25/89/71/377258971.db2.gz QEKBSCKFCFCHCL-UHFFFAOYSA-N -1 0 311.323 -0.195 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000262315125 377270040 /nfs/dbraw/zinc/27/00/40/377270040.db2.gz QNSCACUPIRWWQM-SDDRHHMPSA-N -1 0 306.318 -0.169 20 0 DBADRM O=C(Cn1c(=O)[nH]c2ccccc21)N[C@@]1(C(=O)[O-])CCOC1 ZINC000262070779 377265502 /nfs/dbraw/zinc/26/55/02/377265502.db2.gz CIABGOZXEVXWRR-AWEZNQCLSA-N -1 0 305.290 -0.311 20 0 DBADRM O=C(Cc1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1)NCCO ZINC000052025680 377200651 /nfs/dbraw/zinc/20/06/51/377200651.db2.gz ILNOSMZCSQIHKH-UHFFFAOYSA-N -1 0 324.362 -0.139 20 0 DBADRM COCC[C@H](NC(=O)CNC(=O)COc1ccccc1)C(=O)[O-] ZINC000262298060 377270712 /nfs/dbraw/zinc/27/07/12/377270712.db2.gz MVSLNSNZLPVLQN-LBPRGKRZSA-N -1 0 324.333 -0.213 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)CCC(=O)NCCNC(C)=O ZINC000262371069 377273097 /nfs/dbraw/zinc/27/30/97/377273097.db2.gz LTZGNLMRZRCUNX-UHFFFAOYSA-N -1 0 301.343 -0.658 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)Cn1c2ccccc2n(C)c1=O ZINC000262472301 377275353 /nfs/dbraw/zinc/27/53/53/377275353.db2.gz UPCLYKGPFCWWON-UHFFFAOYSA-N -1 0 321.333 -0.100 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000262672742 377278545 /nfs/dbraw/zinc/27/85/45/377278545.db2.gz XNLMCPBMNHEGBB-NXEZZACHSA-N -1 0 308.338 -0.392 20 0 DBADRM CO[C@@H](CNC(=O)CCNC(=O)Cc1ccccc1)C(=O)[O-] ZINC000263029743 377280879 /nfs/dbraw/zinc/28/08/79/377280879.db2.gz CCPKHZGHLQKUPQ-LBPRGKRZSA-N -1 0 308.334 -0.049 20 0 DBADRM CC(C)[C@@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000262920512 377280978 /nfs/dbraw/zinc/28/09/78/377280978.db2.gz VCTGXANCZUCFQM-SECBINFHSA-N -1 0 320.305 -0.127 20 0 DBADRM COc1cccc(C(=O)NCC(=O)NC[C@@H](OC)C(=O)[O-])c1 ZINC000263039554 377281074 /nfs/dbraw/zinc/28/10/74/377281074.db2.gz DIFBTHNHDQIUCP-LLVKDONJSA-N -1 0 310.306 -0.359 20 0 DBADRM CO[C@@H](CNC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000263147670 377283234 /nfs/dbraw/zinc/28/32/34/377283234.db2.gz WIXAVVZPFVNVJO-NSHDSACASA-N -1 0 324.289 -0.639 20 0 DBADRM CO[C@@H](CNC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)[O-] ZINC000263152442 377283523 /nfs/dbraw/zinc/28/35/23/377283523.db2.gz XFZOAVDFTIDNHK-NSHDSACASA-N -1 0 312.297 -0.300 20 0 DBADRM CN(CC(=O)[O-])C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000263158975 377284550 /nfs/dbraw/zinc/28/45/50/377284550.db2.gz YITDKPUNUWUOCG-UHFFFAOYSA-N -1 0 320.392 -0.004 20 0 DBADRM CCCC(=O)N1CSC[C@@H]1C(=O)NCCOCC(=O)[O-] ZINC000263460895 377285809 /nfs/dbraw/zinc/28/58/09/377285809.db2.gz PYGRPLSEFILONH-SECBINFHSA-N -1 0 304.368 -0.095 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])C(C)C)cn1 ZINC000263474854 377286859 /nfs/dbraw/zinc/28/68/59/377286859.db2.gz YYMZICDOZGQHEM-UHFFFAOYSA-N -1 0 315.351 -0.075 20 0 DBADRM C[C@H](NC(N)=O)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000263651832 377287076 /nfs/dbraw/zinc/28/70/76/377287076.db2.gz DVQQGYPBIUQIPA-JTQLQIEISA-N -1 0 320.349 -0.267 20 0 DBADRM C[C@@H](NC(N)=O)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000263651833 377287141 /nfs/dbraw/zinc/28/71/41/377287141.db2.gz DVQQGYPBIUQIPA-SNVBAGLBSA-N -1 0 320.349 -0.267 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000268918771 377378058 /nfs/dbraw/zinc/37/80/58/377378058.db2.gz RIPRKSUREPEALR-GHMZBOCLSA-N -1 0 323.349 -1.000 20 0 DBADRM O=C(NCCO)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000269105292 377383242 /nfs/dbraw/zinc/38/32/42/377383242.db2.gz QFMICBOOISXGAJ-UHFFFAOYSA-N -1 0 314.363 -0.101 20 0 DBADRM COC[C@H](O)CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000269542468 377404839 /nfs/dbraw/zinc/40/48/39/377404839.db2.gz LXOCUNQRNXJQFB-SECBINFHSA-N -1 0 320.342 -0.066 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)co1 ZINC000270486467 377451862 /nfs/dbraw/zinc/45/18/62/377451862.db2.gz LHNNBEWDOGTCKY-UHFFFAOYSA-N -1 0 321.307 -0.212 20 0 DBADRM Cn1c2ncn(CC(=O)[N-]OC3CCCC3)c2c(=O)n(C)c1=O ZINC000271623611 377504979 /nfs/dbraw/zinc/50/49/79/377504979.db2.gz ALXFASDEVZOLBD-UHFFFAOYSA-N -1 0 321.337 -0.576 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ncn(C)c1Cl ZINC000270551043 377455222 /nfs/dbraw/zinc/45/52/22/377455222.db2.gz ZVDRJLDBHJYQMP-UHFFFAOYSA-N -1 0 311.747 -0.205 20 0 DBADRM COC(=O)C1(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000270916034 377474171 /nfs/dbraw/zinc/47/41/71/377474171.db2.gz UBKDQVHSOHHTSU-UHFFFAOYSA-N -1 0 304.262 -0.129 20 0 DBADRM NC(=O)NC1(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000271029896 377480142 /nfs/dbraw/zinc/48/01/42/377480142.db2.gz PXTIVPMRCQXQBZ-UHFFFAOYSA-N -1 0 301.310 -0.316 20 0 DBADRM CN(C[C@H](O)CO)C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000271297388 377492774 /nfs/dbraw/zinc/49/27/74/377492774.db2.gz RLQUKRBGXPEONJ-VIFPVBQESA-N -1 0 302.352 -0.517 20 0 DBADRM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)C[C@H](O)CO ZINC000271292463 377493092 /nfs/dbraw/zinc/49/30/92/377493092.db2.gz QPMJINUKARNSIP-IUCAKERBSA-N -1 0 322.408 -0.774 20 0 DBADRM C[C@H](CCC(=O)[O-])NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000271928718 377512820 /nfs/dbraw/zinc/51/28/20/377512820.db2.gz HCOYJCJXAJWZAH-VUHVRTRXSA-N -1 0 309.322 -0.533 20 0 DBADRM C[C@@H](CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)CC(=O)[O-] ZINC000271979346 377515028 /nfs/dbraw/zinc/51/50/28/377515028.db2.gz VFJDDJPULMOGBP-XNPJLODASA-N -1 0 309.322 -0.676 20 0 DBADRM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000110662260 296262515 /nfs/dbraw/zinc/26/25/15/296262515.db2.gz OZSOINMKYRDAMC-SSDOTTSWSA-N -1 0 301.324 -0.768 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H](CO)Cc1ccccc1 ZINC000275957776 377542207 /nfs/dbraw/zinc/54/22/07/377542207.db2.gz ZTCSIQPHNWAZDI-JTQLQIEISA-N -1 0 308.363 -0.090 20 0 DBADRM CO[C@@H](C)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000276132954 377549367 /nfs/dbraw/zinc/54/93/67/377549367.db2.gz AZPMWXVHORKDGV-LURJTMIESA-N -1 0 314.323 -0.251 20 0 DBADRM CCCNC(=O)[C@@H]1CN(C(=O)C(=O)[N-]OC)c2ccccc2O1 ZINC000276130016 377549590 /nfs/dbraw/zinc/54/95/90/377549590.db2.gz MPTMVCLWQGITEE-LBPRGKRZSA-N -1 0 321.333 -0.016 20 0 DBADRM COC(=O)N(C)CC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000276680858 377565582 /nfs/dbraw/zinc/56/55/82/377565582.db2.gz WCCDIUKUEHGIEX-UHFFFAOYSA-N -1 0 306.282 -0.408 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)c1cncc(O)c1 ZINC000277278008 377589801 /nfs/dbraw/zinc/58/98/01/377589801.db2.gz NAGJZIRNBMOEIX-UHFFFAOYSA-N -1 0 302.356 -0.651 20 0 DBADRM O=C([O-])c1cn(CCNS(=O)(=O)C[C@H]2CCCCO2)nn1 ZINC000277308784 377593033 /nfs/dbraw/zinc/59/30/33/377593033.db2.gz LMHFPUGDAIQKQT-SECBINFHSA-N -1 0 318.355 -0.535 20 0 DBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccco1 ZINC000277294202 377593472 /nfs/dbraw/zinc/59/34/72/377593472.db2.gz RETUYMURDYSCCS-SFYZADRCSA-N -1 0 302.308 -0.381 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cn2ccccc2n1 ZINC000277460289 377595322 /nfs/dbraw/zinc/59/53/22/377595322.db2.gz KLCLXSOIBRHNTI-UHFFFAOYSA-N -1 0 310.335 -0.470 20 0 DBADRM Nc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1 ZINC000278157585 377616392 /nfs/dbraw/zinc/61/63/92/377616392.db2.gz BTUMNGXQIQCTSK-UHFFFAOYSA-N -1 0 301.324 -0.862 20 0 DBADRM CCn1cc([N-]S(=O)(=O)c2cn(C)c(C)n2)c(C(N)=O)n1 ZINC000278526160 377624200 /nfs/dbraw/zinc/62/42/00/377624200.db2.gz CPVHYFOPXNVKEY-UHFFFAOYSA-N -1 0 312.355 -0.155 20 0 DBADRM COc1cc(OC)nc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)n1 ZINC000278533869 377624430 /nfs/dbraw/zinc/62/44/30/377624430.db2.gz IXJZZEDLHAWPIK-SSDOTTSWSA-N -1 0 318.355 -0.288 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](NC(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC000279068440 377641744 /nfs/dbraw/zinc/64/17/44/377641744.db2.gz JSMVZNCQMFCWPH-NKWVEPMBSA-N -1 0 300.340 -0.352 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000279310076 377651115 /nfs/dbraw/zinc/65/11/15/377651115.db2.gz DRCDAAYYXOXWJN-UHFFFAOYSA-N -1 0 315.355 -0.264 20 0 DBADRM CCS(=O)(=O)NCc1ccc(C(=O)NCc2nnn[n-]2)cc1 ZINC000607648796 377662823 /nfs/dbraw/zinc/66/28/23/377662823.db2.gz DQEJPIUCZSZXLC-UHFFFAOYSA-N -1 0 324.366 -0.431 20 0 DBADRM Cc1cc2c(cc1S(=O)(=O)N[C@H](CCO)C(=O)[O-])OCO2 ZINC000280032374 377674318 /nfs/dbraw/zinc/67/43/18/377674318.db2.gz PVDZUSDLZYTLFJ-MRVPVSSYSA-N -1 0 317.319 -0.162 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000280166227 377679564 /nfs/dbraw/zinc/67/95/64/377679564.db2.gz RVVXOBOMFBZWJP-SNVBAGLBSA-N -1 0 320.305 -0.102 20 0 DBADRM CSCCO[N-]C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000280161547 377679779 /nfs/dbraw/zinc/67/97/79/377679779.db2.gz YNVPWCAZCTXDTQ-UHFFFAOYSA-N -1 0 308.385 -0.891 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000280215695 377681732 /nfs/dbraw/zinc/68/17/32/377681732.db2.gz WJOJGYRUXKVXAR-ZCFIWIBFSA-N -1 0 322.243 -0.568 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-] ZINC000281759994 377746732 /nfs/dbraw/zinc/74/67/32/377746732.db2.gz GBPKCEACXXLBJJ-VIFPVBQESA-N -1 0 318.307 -0.615 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)CN1CCC(=O)NC1=O)C2 ZINC000281904415 377754316 /nfs/dbraw/zinc/75/43/16/377754316.db2.gz ONEHBPMRHLNBBA-XPTSAGLGSA-N -1 0 309.322 -0.358 20 0 DBADRM C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)N1CCc2ccccc21 ZINC000283135863 377811235 /nfs/dbraw/zinc/81/12/35/377811235.db2.gz UEKOWVSZLNVFCU-JTQLQIEISA-N -1 0 323.374 -0.017 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)NC[C@H]1CCOC1 ZINC000290033673 377895453 /nfs/dbraw/zinc/89/54/53/377895453.db2.gz GBUIPJLONRAJBI-SNVBAGLBSA-N -1 0 317.367 -0.278 20 0 DBADRM CC(C)n1cc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cn1 ZINC000290061177 377895742 /nfs/dbraw/zinc/89/57/42/377895742.db2.gz FEVYQFSKSKYNOI-UHFFFAOYSA-N -1 0 301.328 -0.339 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(N(C)C)ncn1 ZINC000291011181 377921238 /nfs/dbraw/zinc/92/12/38/377921238.db2.gz WHSQLXQRBYVRRX-QMMMGPOBSA-N -1 0 301.372 -0.239 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC(=O)[N-]OC/C=C/Cl)c1 ZINC000291723838 377933084 /nfs/dbraw/zinc/93/30/84/377933084.db2.gz FDHZWPBPCSEOSY-NSCUHMNNSA-N -1 0 308.747 -0.501 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)NCCCc1ccccc1)C(=O)[O-] ZINC000291820370 377935931 /nfs/dbraw/zinc/93/59/31/377935931.db2.gz DXHGWZIDYWHIIQ-LBPRGKRZSA-N -1 0 308.334 -0.049 20 0 DBADRM CO[C@H](CNC(=O)C(=O)NCCCc1ccccc1)C(=O)[O-] ZINC000291820369 377936881 /nfs/dbraw/zinc/93/68/81/377936881.db2.gz DXHGWZIDYWHIIQ-GFCCVEGCSA-N -1 0 308.334 -0.049 20 0 DBADRM CCOC[C@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-] ZINC000290429801 377903271 /nfs/dbraw/zinc/90/32/71/377903271.db2.gz AYEMNKFCMCTMDH-QMMMGPOBSA-N -1 0 315.307 -0.009 20 0 DBADRM CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)[N-]OCC(N)=O)C1 ZINC000290446705 377905873 /nfs/dbraw/zinc/90/58/73/377905873.db2.gz UHYOIWAKPSKQGR-VIFPVBQESA-N -1 0 305.306 -0.276 20 0 DBADRM CCOC[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000290518143 377907261 /nfs/dbraw/zinc/90/72/61/377907261.db2.gz JAKPNZUOKORLKP-JTQLQIEISA-N -1 0 316.335 -0.447 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000290607391 377909132 /nfs/dbraw/zinc/90/91/32/377909132.db2.gz JDKVHGNZNWNSOX-NSHDSACASA-N -1 0 313.331 -0.071 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000290693381 377912583 /nfs/dbraw/zinc/91/25/83/377912583.db2.gz RKMFPKMQNMOBSW-LBPRGKRZSA-N -1 0 313.331 -0.071 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000340452388 377985630 /nfs/dbraw/zinc/98/56/30/377985630.db2.gz QLVJVMDMMNCQOY-QMMMGPOBSA-N -1 0 301.386 -0.550 20 0 DBADRM CCC[C@@H](C)C(=O)NCCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000294201382 377987257 /nfs/dbraw/zinc/98/72/57/377987257.db2.gz XLCQKMSQEXVNAL-MRVPVSSYSA-N -1 0 315.399 -0.141 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCCCCCC(=O)[O-] ZINC000340454402 377987395 /nfs/dbraw/zinc/98/73/95/377987395.db2.gz KTISEAKERVJANF-UHFFFAOYSA-N -1 0 310.372 -0.039 20 0 DBADRM C[N@H+](Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000340871940 378072094 /nfs/dbraw/zinc/07/20/94/378072094.db2.gz BLTIMSYGOOAKDN-VIFPVBQESA-N -1 0 322.373 -0.180 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cn1 ZINC000353756090 378280889 /nfs/dbraw/zinc/28/08/89/378280889.db2.gz FEYWOJVZROVCQO-UHFFFAOYSA-N -1 0 312.311 -0.370 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1noc3c1COCC3)C2 ZINC000623177945 378362043 /nfs/dbraw/zinc/36/20/43/378362043.db2.gz XVQBYSDZQWVDOF-XLKFXECMSA-N -1 0 308.290 -0.080 20 0 DBADRM COCC[C@H](NC(=O)N=c1nc(SC)[n-]s1)C(N)=O ZINC000343320430 378342338 /nfs/dbraw/zinc/34/23/38/378342338.db2.gz QGJJQMVFKKXRDL-YFKPBYRVSA-N -1 0 305.385 -0.306 20 0 DBADRM O=C1OC[C@H]2CN(S(=O)(=O)[N-]CC(F)(F)F)CCN12 ZINC000367024758 378395226 /nfs/dbraw/zinc/39/52/26/378395226.db2.gz SFLORDSAWINPTG-ZCFIWIBFSA-N -1 0 303.262 -0.481 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1CSCN1C(=O)C1CCC1)C(=O)[O-] ZINC000349084211 378405248 /nfs/dbraw/zinc/40/52/48/378405248.db2.gz VFPQNRMSPYGTRY-RNCFNFMXSA-N -1 0 316.379 -0.360 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000584345201 378408297 /nfs/dbraw/zinc/40/82/97/378408297.db2.gz SCZKWWRBJGJAEG-OAHLLOKOSA-N -1 0 323.349 -0.857 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)C[S@@](C)=O)C1 ZINC000383855793 378411386 /nfs/dbraw/zinc/41/13/86/378411386.db2.gz QKZKWZFHXWFBIR-GNGCRJPWSA-N -1 0 306.384 -0.114 20 0 DBADRM C[C@H](CNC(=O)c1nn(-c2ccccc2)cc1[O-])S(N)(=O)=O ZINC000350629764 378426184 /nfs/dbraw/zinc/42/61/84/378426184.db2.gz RQOYIQZZSRZVAN-SECBINFHSA-N -1 0 324.362 -0.015 20 0 DBADRM CC[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@@H](C)[S@@]1=O ZINC000329348732 378476978 /nfs/dbraw/zinc/47/69/78/378476978.db2.gz CWBWQSBLRYJSNC-FQJNGZCASA-N -1 0 313.379 -0.143 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1[O-] ZINC000618676053 378495907 /nfs/dbraw/zinc/49/59/07/378495907.db2.gz MDGHIEOTMDECOF-SSDOTTSWSA-N -1 0 302.356 -0.470 20 0 DBADRM CC(C)N1CCC[C@@H](N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])C1=O ZINC000333369306 378553021 /nfs/dbraw/zinc/55/30/21/378553021.db2.gz FHZNQPRHHKEQAM-ZJUUUORDSA-N -1 0 323.353 -0.348 20 0 DBADRM C[C@H]1CN(CCNC(=O)CSc2n[nH]c(=O)[n-]2)[C@@H](C)CO1 ZINC000617726227 378561959 /nfs/dbraw/zinc/56/19/59/378561959.db2.gz UMQCECADWCPGOF-IUCAKERBSA-N -1 0 315.399 -0.172 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])s1 ZINC000547604921 378579417 /nfs/dbraw/zinc/57/94/17/378579417.db2.gz AHGAUXFJPGTRPA-VIIUKITBSA-N -1 0 324.405 -0.342 20 0 DBADRM O=c1[n-]c(CNc2ccc(S(=O)(=O)NCC3CC3)cn2)n[nH]1 ZINC000301769986 378604061 /nfs/dbraw/zinc/60/40/61/378604061.db2.gz JEXSHBGAEJSDTN-UHFFFAOYSA-N -1 0 324.366 -0.207 20 0 DBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)C[C@H]1CCCO1)C(=O)OC ZINC000354598856 378742824 /nfs/dbraw/zinc/74/28/24/378742824.db2.gz CJAHRCKODNIGQQ-RKDXNWHRSA-N -1 0 309.340 -0.811 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)C[C@H]1CCCO1)C(=O)OC ZINC000354598833 378743427 /nfs/dbraw/zinc/74/34/27/378743427.db2.gz CJAHRCKODNIGQQ-BDAKNGLRSA-N -1 0 309.340 -0.811 20 0 DBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)C(=O)OC ZINC000354598850 378743587 /nfs/dbraw/zinc/74/35/87/378743587.db2.gz CJAHRCKODNIGQQ-DTWKUNHWSA-N -1 0 309.340 -0.811 20 0 DBADRM O=C(CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])NCCO ZINC000354606102 378744599 /nfs/dbraw/zinc/74/45/99/378744599.db2.gz KZWGRDBSOFVXTC-UHFFFAOYSA-N -1 0 322.296 -0.445 20 0 DBADRM Cn1ccc(CCNC(=O)CNC(=O)c2ncccc2O)n1 ZINC000354766746 378763123 /nfs/dbraw/zinc/76/31/23/378763123.db2.gz LKUFSYYDPWCXMK-UHFFFAOYSA-N -1 0 303.322 -0.391 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NCCc2ccn(C)n2)co1 ZINC000354761406 378763685 /nfs/dbraw/zinc/76/36/85/378763685.db2.gz MGYMCFAECVRPEG-UHFFFAOYSA-N -1 0 312.351 -0.106 20 0 DBADRM CN(CC(=O)NC(C)(C)c1nnn[n-]1)c1ncnc2nc[nH]c21 ZINC000354773842 378764283 /nfs/dbraw/zinc/76/42/83/378764283.db2.gz NQFKUSHKRSLNOH-UHFFFAOYSA-N -1 0 316.329 -0.646 20 0 DBADRM CC(C)(NC(=O)CNC(=O)NCc1ccco1)c1nnn[n-]1 ZINC000354777685 378765102 /nfs/dbraw/zinc/76/51/02/378765102.db2.gz FRWLFWWOXGWPEI-UHFFFAOYSA-N -1 0 307.314 -0.357 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)NC(C)(C)c1nnn[n-]1)n1cccn1 ZINC000354783772 378766437 /nfs/dbraw/zinc/76/64/37/378766437.db2.gz FPRXLQYAEZQKEU-VIFPVBQESA-N -1 0 320.357 -0.533 20 0 DBADRM C[C@@](O)(CO)CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000355288741 378801373 /nfs/dbraw/zinc/80/13/73/378801373.db2.gz JNNBBDMSULXEHA-LBPRGKRZSA-N -1 0 302.352 -0.469 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N=c2nc(-c3cccnc3)[n-]s2)O1 ZINC000355317676 378803915 /nfs/dbraw/zinc/80/39/15/378803915.db2.gz RKADSWSVJVRWKI-DTWKUNHWSA-N -1 0 319.346 -0.007 20 0 DBADRM COCc1nc(=NC(=O)[C@H]2CC[C@@H](C(=O)OC)O2)s[n-]1 ZINC000355567603 378824328 /nfs/dbraw/zinc/82/43/28/378824328.db2.gz AGSDKFHGQJTGOY-RQJHMYQMSA-N -1 0 301.324 -0.235 20 0 DBADRM CO[C@@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000355958952 378845971 /nfs/dbraw/zinc/84/59/71/378845971.db2.gz PSSMRGCKVSZVDQ-NXEZZACHSA-N -1 0 316.383 -0.618 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC)oc1C ZINC000355968466 378846333 /nfs/dbraw/zinc/84/63/33/378846333.db2.gz UBTFCUJHOAOZQD-ZCFIWIBFSA-N -1 0 303.340 -0.640 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c2ccccc2O1 ZINC000356011319 378850932 /nfs/dbraw/zinc/85/09/32/378850932.db2.gz XTGUHEAVLZTEQB-MRVPVSSYSA-N -1 0 317.305 -0.059 20 0 DBADRM C[C@H](C(=O)NC1(c2nnn[n-]2)CC1)n1nnnc1C(C)(C)C ZINC000357064441 378916952 /nfs/dbraw/zinc/91/69/52/378916952.db2.gz BNUKGGQPTJFTNB-SSDOTTSWSA-N -1 0 305.346 -0.150 20 0 DBADRM CCc1c(C(=O)NC2(c3nnn[n-]3)CC2)[nH]c(C)c1C(N)=O ZINC000357072280 378919300 /nfs/dbraw/zinc/91/93/00/378919300.db2.gz QIGHWMGFMJDXNP-UHFFFAOYSA-N -1 0 303.326 -0.083 20 0 DBADRM COCCN(CC[NH+](C)C)C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC000357601766 378959761 /nfs/dbraw/zinc/95/97/61/378959761.db2.gz RPQQNGPKLOMWOL-UHFFFAOYSA-N -1 0 314.342 -0.453 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000367278732 378965317 /nfs/dbraw/zinc/96/53/17/378965317.db2.gz MMSDHDNOUIQBJN-SNVBAGLBSA-N -1 0 309.322 -0.078 20 0 DBADRM CC(=O)NCCN(C(=O)COC[C@H]1CCOC1)[C@@H](C)C(=O)[O-] ZINC000357767867 378968949 /nfs/dbraw/zinc/96/89/49/378968949.db2.gz YSZFGIJPVSKNBM-JQWIXIFHSA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@H](CN(C)C(=O)c1cnc2c(c1)NC(=O)CO2)c1nnn[n-]1 ZINC000358386189 379034864 /nfs/dbraw/zinc/03/48/64/379034864.db2.gz WWILBTMKPHBZGZ-SSDOTTSWSA-N -1 0 317.309 -0.199 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000358387827 379035569 /nfs/dbraw/zinc/03/55/69/379035569.db2.gz ZKXRFPGJCWHLHL-DTWKUNHWSA-N -1 0 318.403 -0.665 20 0 DBADRM O=C(Cn1cnc2ccccc2c1=O)NCc1n[nH]c(=O)[n-]1 ZINC000358356870 379029929 /nfs/dbraw/zinc/02/99/29/379029929.db2.gz NMMGOCDVWMHBFM-UHFFFAOYSA-N -1 0 300.278 -0.463 20 0 DBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1nccnc1N ZINC000114691499 379070248 /nfs/dbraw/zinc/07/02/48/379070248.db2.gz WLKQXWAIWXHVHR-UHFFFAOYSA-N -1 0 313.321 -0.058 20 0 DBADRM CCCCO[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000643432562 379087856 /nfs/dbraw/zinc/08/78/56/379087856.db2.gz UJNUEOUOXKUBDW-VHSXEESVSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2ccnn2C)C1=O ZINC000358711421 379078821 /nfs/dbraw/zinc/07/88/21/379078821.db2.gz GSRPPCXMWGALPE-KOLCDFICSA-N -1 0 308.338 -0.140 20 0 DBADRM CC(C)N(C(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C(C)C ZINC000643435996 379118778 /nfs/dbraw/zinc/11/87/78/379118778.db2.gz HYUKQBJWUUBVPQ-LLVKDONJSA-N -1 0 320.411 -0.185 20 0 DBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1n[nH]c(=O)[n-]1 ZINC000359264271 379139676 /nfs/dbraw/zinc/13/96/76/379139676.db2.gz AWMRBNHBMUMWAF-UHFFFAOYSA-N -1 0 317.309 -0.266 20 0 DBADRM Cn1cc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)nn1 ZINC000359474046 379167760 /nfs/dbraw/zinc/16/77/60/379167760.db2.gz GTXKCBRSGMSENQ-UHFFFAOYSA-N -1 0 320.338 -0.194 20 0 DBADRM COCC(=O)N[C@@H](C(=O)NCCCc1n[nH]c(=O)[n-]1)C(C)C ZINC000359523728 379173167 /nfs/dbraw/zinc/17/31/67/379173167.db2.gz HWIVIQRGEAVIRV-LLVKDONJSA-N -1 0 313.358 -0.654 20 0 DBADRM CC(C)(NC(=O)Cn1nc2ccccn2c1=O)c1nnn[n-]1 ZINC000359783123 379196755 /nfs/dbraw/zinc/19/67/55/379196755.db2.gz HLCPCFYQZQZRKW-UHFFFAOYSA-N -1 0 302.298 -0.939 20 0 DBADRM Cc1cc(C)n2nc(CC(=O)NC(C)(C)c3nnn[n-]3)nc2n1 ZINC000359797634 379200366 /nfs/dbraw/zinc/20/03/66/379200366.db2.gz YHKZDHTUQIPLTI-UHFFFAOYSA-N -1 0 315.341 -0.152 20 0 DBADRM CCCc1nc(=Nc2cnn(CC(=O)NCCO)c2)s[n-]1 ZINC000360066607 379221231 /nfs/dbraw/zinc/22/12/31/379221231.db2.gz RAXXEHABUSEUAC-UHFFFAOYSA-N -1 0 310.383 -0.039 20 0 DBADRM CCO[C@H](C)c1noc(CN2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC000360419773 379263149 /nfs/dbraw/zinc/26/31/49/379263149.db2.gz LEFVUEUHISQHJY-SECBINFHSA-N -1 0 312.326 -0.104 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)S(=O)(=O)c2ncc[n-]2)CC1 ZINC000361280770 379340496 /nfs/dbraw/zinc/34/04/96/379340496.db2.gz KOKPEEOMQUPFFG-VIFPVBQESA-N -1 0 314.367 -0.737 20 0 DBADRM Cc1cc(C)n2nc(CC(=O)N3CCO[C@H](C(=O)[O-])C3)nc2n1 ZINC000362572781 379449534 /nfs/dbraw/zinc/44/95/34/379449534.db2.gz LYEYQZHBDYKVKY-JTQLQIEISA-N -1 0 319.321 -0.404 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cnn(C)c2C)cn1 ZINC000362429058 379435881 /nfs/dbraw/zinc/43/58/81/379435881.db2.gz FPNYIWWNTRVRKH-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM C[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000362003187 379408539 /nfs/dbraw/zinc/40/85/39/379408539.db2.gz UOIKRNAZFFHVGQ-MRVPVSSYSA-N -1 0 317.367 -0.132 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000362604983 379451754 /nfs/dbraw/zinc/45/17/54/379451754.db2.gz YTHAUIZEMKGHLG-VIFPVBQESA-N -1 0 304.306 -0.029 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)[O-])cn2)C[C@H](C)O1 ZINC000368128865 379528263 /nfs/dbraw/zinc/52/82/63/379528263.db2.gz KQFXTEHLAPEHSG-DTORHVGOSA-N -1 0 310.310 -0.458 20 0 DBADRM Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@](C)(O)C(=O)[O-])CC2 ZINC000643448431 379506990 /nfs/dbraw/zinc/50/69/90/379506990.db2.gz KLZYFLYAUVCHJZ-HNNXBMFYSA-N -1 0 306.318 -0.164 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCc3sccc3C2)CCO1 ZINC000643454460 379648050 /nfs/dbraw/zinc/64/80/50/379648050.db2.gz ZAYLXERQTHFAFQ-JTQLQIEISA-N -1 0 324.358 -0.055 20 0 DBADRM CCOCCN(CC)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643457615 379688773 /nfs/dbraw/zinc/68/87/73/379688773.db2.gz QODLBTGJZGNEPN-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000643457370 379688943 /nfs/dbraw/zinc/68/89/43/379688943.db2.gz PWPCSYQBBPTMIA-HBNTYKKESA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@@H]1SCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@H]1C ZINC000643460340 379701647 /nfs/dbraw/zinc/70/16/47/379701647.db2.gz RJUGSWWPONMYIC-GUBZILKMSA-N -1 0 316.379 -0.349 20 0 DBADRM C[C@H]1CCSCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643460263 379701322 /nfs/dbraw/zinc/70/13/22/379701322.db2.gz GYRFDMRFBMVEBE-UWVGGRQHSA-N -1 0 316.379 -0.348 20 0 DBADRM CCCCN(CCOC)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643459021 379694820 /nfs/dbraw/zinc/69/48/20/379694820.db2.gz ICKOAFOWBOQETE-LLVKDONJSA-N -1 0 316.354 -0.427 20 0 DBADRM C[C@@H]1CSCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643459464 379696960 /nfs/dbraw/zinc/69/69/60/379696960.db2.gz YUNGRBQYSMJCDK-BDAKNGLRSA-N -1 0 302.352 -0.738 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000375191191 379665462 /nfs/dbraw/zinc/66/54/62/379665462.db2.gz FEVMZFCTNPWYEJ-ZCFIWIBFSA-N -1 0 315.277 -0.425 20 0 DBADRM C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643460341 379702045 /nfs/dbraw/zinc/70/20/45/379702045.db2.gz RJUGSWWPONMYIC-KXUCPTDWSA-N -1 0 316.379 -0.349 20 0 DBADRM CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC000643460489 379703489 /nfs/dbraw/zinc/70/34/89/379703489.db2.gz RAZCLZWUUWWJGF-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM CN(CCOCC1CC1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643462548 379792018 /nfs/dbraw/zinc/79/20/18/379792018.db2.gz MODYVBAYZKFIKE-LLVKDONJSA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CNC(=O)C1 ZINC000232227821 379779959 /nfs/dbraw/zinc/77/99/59/379779959.db2.gz NPHRTGHPJMBOOW-RXMQYKEDSA-N -1 0 305.337 -0.904 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C[C@@H](C2CC2)O1 ZINC000643462502 379788601 /nfs/dbraw/zinc/78/86/01/379788601.db2.gz JFNPTKUYZSVJCH-JLLWLGSASA-N -1 0 310.350 -0.055 20 0 DBADRM N#Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])s1 ZINC000230322999 379868107 /nfs/dbraw/zinc/86/81/07/379868107.db2.gz NBBBBVXDEDPPFN-SSDOTTSWSA-N -1 0 317.348 -0.383 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])cc1 ZINC000230104576 379868186 /nfs/dbraw/zinc/86/81/86/379868186.db2.gz CEQCGQZJVPBHDQ-SNVBAGLBSA-N -1 0 316.335 -0.576 20 0 DBADRM N#Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])s1 ZINC000230322995 379868319 /nfs/dbraw/zinc/86/83/19/379868319.db2.gz NBBBBVXDEDPPFN-ZETCQYMHSA-N -1 0 317.348 -0.383 20 0 DBADRM CN(C1CCN(C(=O)NCCCC(=O)[O-])CC1)S(C)(=O)=O ZINC000584717095 379840169 /nfs/dbraw/zinc/84/01/69/379840169.db2.gz OMDWAVMAXUZPIM-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM Cc1noc(CCNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])n1 ZINC000584777550 379844099 /nfs/dbraw/zinc/84/40/99/379844099.db2.gz FGJBXXIAWHXXPF-MRVPVSSYSA-N -1 0 304.328 -0.696 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)c1cncc(F)c1 ZINC000044260546 379869446 /nfs/dbraw/zinc/86/94/46/379869446.db2.gz YNGYCPFZGGRJJI-SNVBAGLBSA-N -1 0 314.298 -0.082 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000584843818 379851842 /nfs/dbraw/zinc/85/18/42/379851842.db2.gz SVGBKEHARLQMJK-GHMZBOCLSA-N -1 0 308.338 -0.002 20 0 DBADRM O=C([O-])[C@@H]1CN(CC(=O)NC(=O)NCc2ccccc2)CCO1 ZINC000610897010 379860032 /nfs/dbraw/zinc/86/00/32/379860032.db2.gz SNJLPEMPXRYDLV-LBPRGKRZSA-N -1 0 321.333 -0.202 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)NCCCC(=O)[O-])cc1 ZINC000040537221 379861487 /nfs/dbraw/zinc/86/14/87/379861487.db2.gz HQQYYTOQOZREQW-UHFFFAOYSA-N -1 0 315.351 -0.002 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1c[nH]c2ncccc12)C(=O)[O-] ZINC000040503849 379861981 /nfs/dbraw/zinc/86/19/81/379861981.db2.gz UJROMRCICUOBEU-ZETCQYMHSA-N -1 0 312.307 -0.830 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000227323590 379865273 /nfs/dbraw/zinc/86/52/73/379865273.db2.gz DUYCRRAULHYHJI-NXEZZACHSA-N -1 0 320.367 -0.289 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H](C)C(=O)[O-])C1 ZINC000042462768 379865427 /nfs/dbraw/zinc/86/54/27/379865427.db2.gz LEBPFIAOSXFPHF-BDAKNGLRSA-N -1 0 308.356 -0.431 20 0 DBADRM C[C@@H](CN(C)C(=O)CSCC(=O)N1CCOCC1)C(=O)[O-] ZINC000042695272 379865969 /nfs/dbraw/zinc/86/59/69/379865969.db2.gz LDRCLLFMCBHSJA-JTQLQIEISA-N -1 0 318.395 -0.243 20 0 DBADRM NS(=O)(=O)c1ccc(N2CCC[C@H](O)C2)c(C(=O)[O-])c1 ZINC000042315874 379866253 /nfs/dbraw/zinc/86/62/53/379866253.db2.gz QSRAVNSSLKJZIJ-QMMMGPOBSA-N -1 0 300.336 -0.007 20 0 DBADRM O=C(C[C@@H]1NC(=O)NC1=O)N1CCN(Cc2ccccc2)CC1 ZINC000042812007 379866428 /nfs/dbraw/zinc/86/64/28/379866428.db2.gz SIZRTUMHMSLCRQ-ZDUSSCGKSA-N -1 0 316.361 -0.071 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2Cc3ccccc3CO2)CCO1 ZINC000643466291 379819086 /nfs/dbraw/zinc/81/90/86/379819086.db2.gz WAXVMXYIMAQTMO-GFCCVEGCSA-N -1 0 320.301 -0.228 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2CS3)CCO1 ZINC000643466668 379821902 /nfs/dbraw/zinc/82/19/02/379821902.db2.gz BGMCGMUGJCNMTK-XHNCKOQMSA-N -1 0 300.336 -0.985 20 0 DBADRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)NCCOCC(N)=O ZINC000230041752 379867875 /nfs/dbraw/zinc/86/78/75/379867875.db2.gz ILSHBAVGBXVXAC-UHFFFAOYSA-N -1 0 322.364 -0.465 20 0 DBADRM Cn1nccc1CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000052535657 379916272 /nfs/dbraw/zinc/91/62/72/379916272.db2.gz UYLSLQHUBFILGU-UHFFFAOYSA-N -1 0 300.278 -0.313 20 0 DBADRM O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1nc(=O)[nH][n-]1 ZINC000104934425 379889066 /nfs/dbraw/zinc/88/90/66/379889066.db2.gz BHEOUGPJYJFVNN-ZCFIWIBFSA-N -1 0 314.248 -0.454 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)Cn1cccn1 ZINC000420541044 380064772 /nfs/dbraw/zinc/06/47/72/380064772.db2.gz YNAGKVUDXSUFBL-NEPJUHHUSA-N -1 0 322.365 -0.041 20 0 DBADRM COc1ccc2c(c1)OC[C@@H](NC(=O)C(=O)NCCC(=O)[O-])C2 ZINC000420562036 380065251 /nfs/dbraw/zinc/06/52/51/380065251.db2.gz PBLRPFNOGDLQOI-JTQLQIEISA-N -1 0 322.317 -0.294 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])CC1=O ZINC000420563542 380065487 /nfs/dbraw/zinc/06/54/87/380065487.db2.gz ORQFMSBRWXHYJA-UTLUCORTSA-N -1 0 311.338 -0.907 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@@H]1OC ZINC000420564665 380065492 /nfs/dbraw/zinc/06/54/92/380065492.db2.gz RTASWXJIROSKCR-MMWGEVLESA-N -1 0 316.354 -0.526 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000420532329 380065552 /nfs/dbraw/zinc/06/55/52/380065552.db2.gz RGEFCDFOIXSKJZ-JTQLQIEISA-N -1 0 320.301 -0.035 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCCOc1ncccc1F ZINC000420551676 380066309 /nfs/dbraw/zinc/06/63/09/380066309.db2.gz FCDWGKKZKZFMHW-UHFFFAOYSA-N -1 0 313.285 -0.303 20 0 DBADRM CC(C)N1C[C@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC1=O ZINC000420543032 380066626 /nfs/dbraw/zinc/06/66/26/380066626.db2.gz CSVVHLOFMYTYNW-VHSXEESVSA-N -1 0 313.354 -0.709 20 0 DBADRM CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)NCCCC(=O)[O-] ZINC000420590811 380066679 /nfs/dbraw/zinc/06/66/79/380066679.db2.gz KUFAWRSJDGQXBO-SECBINFHSA-N -1 0 302.327 -0.233 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000420545976 380067033 /nfs/dbraw/zinc/06/70/33/380067033.db2.gz BDSWMNCZBHVKRJ-VHSXEESVSA-N -1 0 311.338 -0.763 20 0 DBADRM COc1ccc(COCCNC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000420551547 380067349 /nfs/dbraw/zinc/06/73/49/380067349.db2.gz RNIAMWHLDLTGMS-UHFFFAOYSA-N -1 0 324.333 -0.081 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CC(=O)N(Cc2ccccc2)C1 ZINC000420594587 380069280 /nfs/dbraw/zinc/06/92/80/380069280.db2.gz DDVXIPSOKGUWNM-UHFFFAOYSA-N -1 0 319.317 -0.594 20 0 DBADRM C[C@@H]1C[C@H](O)CN1C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000420591381 380069356 /nfs/dbraw/zinc/06/93/56/380069356.db2.gz VKQZDLDFVWUPOG-SKDRFNHKSA-N -1 0 306.318 -0.017 20 0 DBADRM Cc1ccnc(N2CCN(C(=O)C(=O)NCCC(=O)[O-])CC2)c1 ZINC000420604419 380069431 /nfs/dbraw/zinc/06/94/31/380069431.db2.gz YAFJBQUOSWXSLZ-UHFFFAOYSA-N -1 0 320.349 -0.370 20 0 DBADRM CC[C@H](CS(=O)(=O)[N-][C@H](CC(=O)OC)C(=O)OC)OC ZINC000420652364 380072924 /nfs/dbraw/zinc/07/29/24/380072924.db2.gz UXTVNZZNVTZJHP-RKDXNWHRSA-N -1 0 311.356 -0.565 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)CSCC(=O)[O-])CC1 ZINC000572169258 380134977 /nfs/dbraw/zinc/13/49/77/380134977.db2.gz HTBDIEBCBXCZLI-UHFFFAOYSA-N -1 0 310.397 -0.702 20 0 DBADRM O=C([O-])[C@@H](NC(=O)NCCCn1ccnn1)[C@H]1CCCOC1 ZINC000572198110 380137602 /nfs/dbraw/zinc/13/76/02/380137602.db2.gz NFCLWUZVJCVWRY-QWRGUYRKSA-N -1 0 311.342 -0.153 20 0 DBADRM CCC[C@@](C)(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000571996876 380126537 /nfs/dbraw/zinc/12/65/37/380126537.db2.gz JAZGLPYUHOEAHG-SNVBAGLBSA-N -1 0 315.413 -0.016 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000262862329 380204492 /nfs/dbraw/zinc/20/44/92/380204492.db2.gz UFOBKVOXNBHDAO-ONGXEEELSA-N -1 0 307.368 -0.193 20 0 DBADRM O=C([O-])[C@@H]1CCCN1C(=O)COCC(=O)NCc1cccnc1 ZINC000262148918 380172741 /nfs/dbraw/zinc/17/27/41/380172741.db2.gz QVXBJGTXNBDULD-LBPRGKRZSA-N -1 0 321.333 -0.210 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000262238211 380177909 /nfs/dbraw/zinc/17/79/09/380177909.db2.gz OJAXGNFCHDEEKU-LBPRGKRZSA-N -1 0 305.334 -0.076 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)CN3CSCC3=O)C[C@H]1COCC2 ZINC000262321096 380183214 /nfs/dbraw/zinc/18/32/14/380183214.db2.gz CSDVHHBOEBLFJY-TVQRCGJNSA-N -1 0 314.363 -0.531 20 0 DBADRM C[C@]1(C2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)NC(=O)NC1=O ZINC000262347743 380185526 /nfs/dbraw/zinc/18/55/26/380185526.db2.gz ATMWGUSRQYHHLQ-TVLCNXBWSA-N -1 0 309.322 -0.456 20 0 DBADRM COC(=O)c1cc(F)ccc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000611603604 380187398 /nfs/dbraw/zinc/18/73/98/380187398.db2.gz GUOAQNUMYNBOFQ-UHFFFAOYSA-N -1 0 322.256 -0.620 20 0 DBADRM CNS(=O)(=O)CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000262397927 380188465 /nfs/dbraw/zinc/18/84/65/380188465.db2.gz NSUSODLUSRIPPE-UTLUCORTSA-N -1 0 304.368 -0.220 20 0 DBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)NC[C@](C)(O)C(=O)[O-])C2=O ZINC000262391982 380189482 /nfs/dbraw/zinc/18/94/82/380189482.db2.gz MJLSTJCLYSEESK-HNNXBMFYSA-N -1 0 320.301 -0.457 20 0 DBADRM CN1N=C(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CCC1=O ZINC000262374740 380190264 /nfs/dbraw/zinc/19/02/64/380190264.db2.gz KKXSPPPDSPCOFS-LKFCYVNXSA-N -1 0 309.322 -0.456 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548201148 380191697 /nfs/dbraw/zinc/19/16/97/380191697.db2.gz FXXPTFCPDXVELF-NXEZZACHSA-N -1 0 323.367 -0.261 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N1CC[C@@H](C)C1 ZINC000262480268 380192139 /nfs/dbraw/zinc/19/21/39/380192139.db2.gz VQHHNPCWHMMWHP-ZJUUUORDSA-N -1 0 321.399 -0.516 20 0 DBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000262667572 380197854 /nfs/dbraw/zinc/19/78/54/380197854.db2.gz WIDZEAFAQCYZTC-WDEREUQCSA-N -1 0 319.317 -0.761 20 0 DBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000262667570 380198705 /nfs/dbraw/zinc/19/87/05/380198705.db2.gz WIDZEAFAQCYZTC-QWRGUYRKSA-N -1 0 319.317 -0.761 20 0 DBADRM COC(=O)c1cn(CC(=O)NC2CCC(C(=O)[O-])CC2)nn1 ZINC000580436133 380266156 /nfs/dbraw/zinc/26/61/56/380266156.db2.gz PICYEAZSACMDJO-UHFFFAOYSA-N -1 0 310.310 -0.176 20 0 DBADRM CN(CC(=O)[O-])C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000263154116 380211863 /nfs/dbraw/zinc/21/18/63/380211863.db2.gz XJMRRBVKRSKZKS-UHFFFAOYSA-N -1 0 305.290 -0.105 20 0 DBADRM C/C=C/C[C@H](NC(=O)CNS(=O)(=O)CCCOC)C(=O)[O-] ZINC000263244002 380213811 /nfs/dbraw/zinc/21/38/11/380213811.db2.gz FQYFVZQXYKPAFV-FSIBCCDJSA-N -1 0 322.383 -0.522 20 0 DBADRM NC(=O)C[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)C1CCOCC1 ZINC000263251028 380214010 /nfs/dbraw/zinc/21/40/10/380214010.db2.gz HGUMIMNGMAKJBP-SECBINFHSA-N -1 0 322.321 -0.425 20 0 DBADRM COC[C@H](NC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)[O-] ZINC000263471165 380216483 /nfs/dbraw/zinc/21/64/83/380216483.db2.gz RXEFIODPTHCAEV-VIFPVBQESA-N -1 0 307.306 -0.444 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])cn1 ZINC000572400042 380220291 /nfs/dbraw/zinc/22/02/91/380220291.db2.gz MVBMSZIRMFDYBJ-BDAKNGLRSA-N -1 0 305.356 -0.083 20 0 DBADRM COC(=O)Cc1[n-][nH]c(=O)c1C(=O)Nc1ccc(OC)nc1 ZINC000421816950 380237219 /nfs/dbraw/zinc/23/72/19/380237219.db2.gz ZLOHFTQXYXVODK-LLVKDONJSA-N -1 0 306.278 -0.306 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCC(C)(C)O)C1 ZINC000422700889 380296042 /nfs/dbraw/zinc/29/60/42/380296042.db2.gz CNRHETWYTNCLHH-UWVGGRQHSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC2(CO)CC2)C1 ZINC000422824714 380298693 /nfs/dbraw/zinc/29/86/93/380298693.db2.gz ODRLHPXVFKCJBO-QWRGUYRKSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000422831676 380299638 /nfs/dbraw/zinc/29/96/38/380299638.db2.gz TVDQPVSEMUYAQP-KXNHARMFSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000422840710 380300107 /nfs/dbraw/zinc/30/01/07/380300107.db2.gz UMKCAIPFMKYICP-NOOOWODRSA-N -1 0 312.366 -0.073 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)N(C)CCCC(=O)[O-] ZINC000422853840 380300482 /nfs/dbraw/zinc/30/04/82/380300482.db2.gz SSXFLGLKCNANRC-JTQLQIEISA-N -1 0 314.338 -0.136 20 0 DBADRM CO[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C[C@@H]1OC ZINC000422855182 380300527 /nfs/dbraw/zinc/30/05/27/380300527.db2.gz DRSHRUPLAWZAKD-ZNSHCXBVSA-N -1 0 314.338 -0.962 20 0 DBADRM CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000422853561 380300691 /nfs/dbraw/zinc/30/06/91/380300691.db2.gz ZELKTGUEWIMRIP-SECBINFHSA-N -1 0 302.327 -0.280 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422868165 380302021 /nfs/dbraw/zinc/30/20/21/380302021.db2.gz ULZMGJRISIXEOZ-XHDPSFHLSA-N -1 0 312.366 -0.069 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N(C)CCCC(=O)[O-])C[C@H]1OC ZINC000422869165 380302192 /nfs/dbraw/zinc/30/21/92/380302192.db2.gz WUJBSQBLXUMMNR-NXEZZACHSA-N -1 0 302.327 -0.818 20 0 DBADRM C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000422929685 380303777 /nfs/dbraw/zinc/30/37/77/380303777.db2.gz RAUPYQJQJOXMQA-ZETOZRRWSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000422896070 380303934 /nfs/dbraw/zinc/30/39/34/380303934.db2.gz HFFYCGCUYWVUCT-SRVKXCTJSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000422896072 380304015 /nfs/dbraw/zinc/30/40/15/380304015.db2.gz HFFYCGCUYWVUCT-TUAOUCFPSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000422897426 380304131 /nfs/dbraw/zinc/30/41/31/380304131.db2.gz JRCRPFKLROKEHF-ZIBATOQPSA-N -1 0 312.366 -0.071 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)CCO1 ZINC000626787001 380366968 /nfs/dbraw/zinc/36/69/68/380366968.db2.gz HTYJVNDCZULIGU-WDEREUQCSA-N -1 0 311.338 -0.365 20 0 DBADRM CCC(=O)C[C@@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC000548563228 380366979 /nfs/dbraw/zinc/36/69/79/380366979.db2.gz ZVMWYQQPZZZKCM-SNVBAGLBSA-N -1 0 322.383 -0.246 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC000548563227 380367218 /nfs/dbraw/zinc/36/72/18/380367218.db2.gz ZVMWYQQPZZZKCM-JTQLQIEISA-N -1 0 322.383 -0.246 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCc1ncn(C)n1)C(=O)[O-] ZINC000424511072 380396504 /nfs/dbraw/zinc/39/65/04/380396504.db2.gz YKBHGNSHJNJBJZ-SECBINFHSA-N -1 0 311.342 -0.706 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@@H](C)C[S@](C)=O)C(=O)[O-] ZINC000424491224 380389743 /nfs/dbraw/zinc/38/97/43/380389743.db2.gz XHXZLYFGGDTTNQ-YRMIWKTRSA-N -1 0 320.411 -0.267 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC[C@H]1C(=O)[O-] ZINC000626757580 380349821 /nfs/dbraw/zinc/34/98/21/380349821.db2.gz XUHXEEZTRALPSS-LMLFDSFASA-N -1 0 313.354 -0.229 20 0 DBADRM O=C([O-])CCNC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000626766516 380350880 /nfs/dbraw/zinc/35/08/80/380350880.db2.gz IZQGJTJZKADJFF-VIFPVBQESA-N -1 0 319.325 -0.523 20 0 DBADRM O=C([O-])CCCNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000626765713 380351181 /nfs/dbraw/zinc/35/11/81/380351181.db2.gz KETYJNALLRLHFP-UHFFFAOYSA-N -1 0 319.383 -0.329 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCO1 ZINC000626774479 380360420 /nfs/dbraw/zinc/36/04/20/380360420.db2.gz YNVCFFVMQORJMM-WDEREUQCSA-N -1 0 313.354 -0.227 20 0 DBADRM O=C(N[C@H]1C[C@@H](O)C1)c1cccc(C(=O)N[C@H]2C[C@@H](O)C2)c1[O-] ZINC000612637826 380426853 /nfs/dbraw/zinc/42/68/53/380426853.db2.gz YBGCGMUOKITUOF-FDNPJPRYSA-N -1 0 320.345 -0.102 20 0 DBADRM CC(C)(C)n1nnc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)n1 ZINC000612818811 380444555 /nfs/dbraw/zinc/44/45/55/380444555.db2.gz YAENFHRACPCNLF-QMMMGPOBSA-N -1 0 305.346 -0.039 20 0 DBADRM CC(C)(C)n1nnc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)n1 ZINC000612818805 380444927 /nfs/dbraw/zinc/44/49/27/380444927.db2.gz YAENFHRACPCNLF-MRVPVSSYSA-N -1 0 305.346 -0.039 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000612817994 380445293 /nfs/dbraw/zinc/44/52/93/380445293.db2.gz OMZXAOJQXGSKAT-IUCAKERBSA-N -1 0 317.357 -0.870 20 0 DBADRM COC(=O)c1cn([C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C2)nn1 ZINC000612839781 380450675 /nfs/dbraw/zinc/45/06/75/380450675.db2.gz WLTGAJLKTQGSGE-MRVPVSSYSA-N -1 0 320.309 -0.111 20 0 DBADRM COCCN1C[C@H](C(=O)N2CCC[C@H](c3nnn[n-]3)C2)CC1=O ZINC000537125465 380452761 /nfs/dbraw/zinc/45/27/61/380452761.db2.gz PMMLNZUXMIKSLN-WDEREUQCSA-N -1 0 322.369 -0.599 20 0 DBADRM COc1ccc(-n2cc([O-])c(C(=O)N3C[C@H](O)[C@@H](O)C3)n2)cc1 ZINC000628525610 380455770 /nfs/dbraw/zinc/45/57/70/380455770.db2.gz PJCTVBBTJZVBDP-RYUDHWBXSA-N -1 0 319.317 -0.236 20 0 DBADRM CNS(=O)(=O)NCC(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000628540218 380515725 /nfs/dbraw/zinc/51/57/25/380515725.db2.gz JIAKXARDIHNAFM-UHFFFAOYSA-N -1 0 305.385 -0.996 20 0 DBADRM COC(=O)c1ccc(-c2nnn(Cc3n[nH]c(=O)[n-]3)n2)cc1 ZINC000092870361 380463771 /nfs/dbraw/zinc/46/37/71/380463771.db2.gz UQHOXHBEZWPEND-UHFFFAOYSA-N -1 0 301.266 -0.414 20 0 DBADRM CC[C@](C)(CO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613031031 380469766 /nfs/dbraw/zinc/46/97/66/380469766.db2.gz SGWKHZFKSUMDRM-GFCCVEGCSA-N -1 0 302.352 -0.070 20 0 DBADRM CC[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@H]1O ZINC000613098182 380477186 /nfs/dbraw/zinc/47/71/86/380477186.db2.gz QDNSBMJFBNMPGD-QPUJVOFHSA-N -1 0 314.363 -0.118 20 0 DBADRM CC(C)(CCO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613107268 380478972 /nfs/dbraw/zinc/47/89/72/380478972.db2.gz POYQFMQTAYGWAV-UHFFFAOYSA-N -1 0 302.352 -0.070 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCOC1)NS(=O)(=O)[C@H]1CCOC1 ZINC000629337668 380630244 /nfs/dbraw/zinc/63/02/44/380630244.db2.gz BPPASJFWUWRURR-DCAQKATOSA-N -1 0 307.368 -0.035 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])c1 ZINC000629337638 380630485 /nfs/dbraw/zinc/63/04/85/380630485.db2.gz AZJPNGOWCVILNB-NXEZZACHSA-N -1 0 317.367 -0.032 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000629338160 380631823 /nfs/dbraw/zinc/63/18/23/380631823.db2.gz JZFWYNOZUUSHDP-WDEREUQCSA-N -1 0 324.399 -0.331 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000629338158 380631974 /nfs/dbraw/zinc/63/19/74/380631974.db2.gz JZFWYNOZUUSHDP-MNOVXSKESA-N -1 0 324.399 -0.331 20 0 DBADRM COC[C@]1(C)CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCO1 ZINC000629346158 380633370 /nfs/dbraw/zinc/63/33/70/380633370.db2.gz DGLCAFIKBWQNPJ-JQWIXIFHSA-N -1 0 322.383 -0.483 20 0 DBADRM COC[C@@]1(C)CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCO1 ZINC000629346157 380634404 /nfs/dbraw/zinc/63/44/04/380634404.db2.gz DGLCAFIKBWQNPJ-CMPLNLGQSA-N -1 0 322.383 -0.483 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)CCc1c(F)cccc1F ZINC000629293096 380622638 /nfs/dbraw/zinc/62/26/38/380622638.db2.gz FXYIYEQIADDQCH-SNVBAGLBSA-N -1 0 309.290 -0.128 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c(F)c1F ZINC000629292861 380622819 /nfs/dbraw/zinc/62/28/19/380622819.db2.gz AEGZPDUENZRICF-LURJTMIESA-N -1 0 322.289 -0.120 20 0 DBADRM CCn1cc([N-]S(=O)(=O)c2cnc(C)n2C)c(C(N)=O)n1 ZINC000629297338 380623489 /nfs/dbraw/zinc/62/34/89/380623489.db2.gz QAULJVTWWDITQF-UHFFFAOYSA-N -1 0 312.355 -0.155 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1cnc(C)n1C)C(=O)[O-] ZINC000629295748 380623763 /nfs/dbraw/zinc/62/37/63/380623763.db2.gz ODDIXLCLZQGRCM-WPRPVWTQSA-N -1 0 305.356 -0.379 20 0 DBADRM C[C@@H]1CN(C(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)C[C@H](C)O1 ZINC000629302347 380623867 /nfs/dbraw/zinc/62/38/67/380623867.db2.gz CJULCUULLJAITE-LMLFDSFASA-N -1 0 313.354 -0.134 20 0 DBADRM CCO[C@H](CS(=O)(=O)NCCC(=O)NCC(=O)[O-])C1CC1 ZINC000629301534 380624053 /nfs/dbraw/zinc/62/40/53/380624053.db2.gz KSLWDBYOXMPJLP-SNVBAGLBSA-N -1 0 322.383 -0.688 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(=O)N2C ZINC000629299409 380624149 /nfs/dbraw/zinc/62/41/49/380624149.db2.gz RLGNUZBMFADYKF-UHFFFAOYSA-N -1 0 323.334 -0.029 20 0 DBADRM C[C@@H]1CN(C(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)C[C@H](C)O1 ZINC000629302348 380624350 /nfs/dbraw/zinc/62/43/50/380624350.db2.gz CJULCUULLJAITE-VLEAKVRGSA-N -1 0 313.354 -0.134 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000629307350 380625583 /nfs/dbraw/zinc/62/55/83/380625583.db2.gz CUNIRFBMAVACSS-KOLCDFICSA-N -1 0 310.372 -0.627 20 0 DBADRM CO[C@H]1CN(C(=O)N2CCS(=O)(=O)CC2)[C@](C)(C(=O)[O-])C1 ZINC000629310553 380625871 /nfs/dbraw/zinc/62/58/71/380625871.db2.gz UBRLCBKRZWYOMW-SKDRFNHKSA-N -1 0 320.367 -0.599 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)[C@H](C)C(=O)N(C)C)[C@@](C)(C(=O)[O-])C1 ZINC000629308551 380626615 /nfs/dbraw/zinc/62/66/15/380626615.db2.gz RQICYOLRBIKWSE-VDDIYKPWSA-N -1 0 322.383 -0.643 20 0 DBADRM COCC1(S(=O)(=O)NCc2ncc(C(=O)[O-])cn2)CC1 ZINC000629314460 380626685 /nfs/dbraw/zinc/62/66/85/380626685.db2.gz TUUFLXDSFNCFFF-UHFFFAOYSA-N -1 0 301.324 -0.227 20 0 DBADRM Cc1cnn(CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000439778839 380626933 /nfs/dbraw/zinc/62/69/33/380626933.db2.gz BCRMOMLOAUAGIG-NSHDSACASA-N -1 0 310.354 -0.077 20 0 DBADRM CN(CC1CC1)S(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000629314457 380627134 /nfs/dbraw/zinc/62/71/34/380627134.db2.gz SWUOIJIHRBZZLF-UHFFFAOYSA-N -1 0 300.340 -0.149 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cn(C)c(C)n2)[C@@](C)(C(=O)[O-])C1 ZINC000629310212 380627182 /nfs/dbraw/zinc/62/71/82/380627182.db2.gz PIEMPFWONDCHOY-JOYOIKCWSA-N -1 0 317.367 -0.019 20 0 DBADRM CCn1cnc(S(=O)(=O)NCc2ncc(C(=O)[O-])cn2)c1 ZINC000629314579 380627439 /nfs/dbraw/zinc/62/74/39/380627439.db2.gz ZEOYDSQUQAMDQD-UHFFFAOYSA-N -1 0 311.323 -0.130 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2cnnn2C)[C@@](C)(C(=O)[O-])C1 ZINC000629308924 380627699 /nfs/dbraw/zinc/62/76/99/380627699.db2.gz YABTYOMCCJVMHU-GMSGAONNSA-N -1 0 304.328 -0.932 20 0 DBADRM CC(C)(C)CNC(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000629490112 380649721 /nfs/dbraw/zinc/64/97/21/380649721.db2.gz HIRYXMZHCPEQHF-VIFPVBQESA-N -1 0 306.384 -0.668 20 0 DBADRM C[C@H]1CN(c2ccc(C(=O)NCCO)nn2)CC[C@H]1C(=O)[O-] ZINC000629768614 380717579 /nfs/dbraw/zinc/71/75/79/380717579.db2.gz KNFHGQXXAMPVJX-VHSXEESVSA-N -1 0 308.338 -0.254 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cc[nH]n2)CC[C@@H]1C(=O)[O-] ZINC000629777610 380718441 /nfs/dbraw/zinc/71/84/41/380718441.db2.gz QJHZVRFFJUFVBD-KOLCDFICSA-N -1 0 308.338 -0.063 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CCn2cccn2)CC[C@H]1C(=O)[O-] ZINC000629778386 380718697 /nfs/dbraw/zinc/71/86/97/380718697.db2.gz WBSYBTYMHWFHSX-NWDGAFQWSA-N -1 0 322.365 -0.089 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)[N-]CC(F)(F)F ZINC000195436569 380718714 /nfs/dbraw/zinc/71/87/14/380718714.db2.gz LXFKVKHXKJKSDF-ZCFIWIBFSA-N -1 0 312.335 -0.204 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCc3c[nH]nc3C2)CC[C@H]1C(=O)[O-] ZINC000629775964 380718746 /nfs/dbraw/zinc/71/87/46/380718746.db2.gz KWTIFCOQSLWSDE-MWLCHTKSSA-N -1 0 320.349 -0.136 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1C(=O)[O-] ZINC000629776314 380718933 /nfs/dbraw/zinc/71/89/33/380718933.db2.gz MGSPLQAZEAAFEK-NNYUYHANSA-N -1 0 310.350 -0.055 20 0 DBADRM CN(C)c1noc(CNS(=O)(=O)[N-]CC(F)(F)F)n1 ZINC000195459673 380719137 /nfs/dbraw/zinc/71/91/37/380719137.db2.gz HPLOSCDEOCQDNM-UHFFFAOYSA-N -1 0 303.266 -0.378 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)C1 ZINC000629781415 380720192 /nfs/dbraw/zinc/72/01/92/380720192.db2.gz MOQKCSIPHALWPZ-BFQNTYOBSA-N -1 0 324.377 -0.069 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N(CC(=O)[O-])c1ccccc1 ZINC000455819104 380721992 /nfs/dbraw/zinc/72/19/92/380721992.db2.gz ZNGIQQYRHKCICA-UHFFFAOYSA-N -1 0 300.336 -0.004 20 0 DBADRM O=C([O-])[C@@H]1CCCCN1C(=O)CNC(=O)c1ncccc1O ZINC000455800426 380722043 /nfs/dbraw/zinc/72/20/43/380722043.db2.gz ZALKUFIBTMHVHE-VIFPVBQESA-N -1 0 307.306 -0.017 20 0 DBADRM O=C([O-])[C@H]1CCCCN1C(=O)CNC(=O)c1ncccc1O ZINC000455800423 380722265 /nfs/dbraw/zinc/72/22/65/380722265.db2.gz ZALKUFIBTMHVHE-SECBINFHSA-N -1 0 307.306 -0.017 20 0 DBADRM COCCn1cc(CNS(=O)(=O)C(COC)COC)cn1 ZINC000641479081 380924972 /nfs/dbraw/zinc/92/49/72/380924972.db2.gz MFOHTLLSTDCESL-UHFFFAOYSA-N -1 0 321.399 -0.390 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000220283027 381062140 /nfs/dbraw/zinc/06/21/40/381062140.db2.gz YNJQFVYQTFVIIE-SECBINFHSA-N -1 0 308.356 -0.477 20 0 DBADRM NS(=O)(=O)c1cccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)c1 ZINC000222496434 381070158 /nfs/dbraw/zinc/07/01/58/381070158.db2.gz RLICVFNNTAQXHG-NXEZZACHSA-N -1 0 314.319 -0.095 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000038022219 284861331 /nfs/dbraw/zinc/86/13/31/284861331.db2.gz RUJOIXAGZAJDHP-JTQLQIEISA-N -1 0 306.384 -0.019 20 0 DBADRM CCN(C)C(=O)C[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000229510380 381093121 /nfs/dbraw/zinc/09/31/21/381093121.db2.gz BOEWISDWSXPIAJ-UHFFFAOYSA-N -1 0 321.380 -0.314 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]CC(F)(F)CO ZINC000231780619 381106666 /nfs/dbraw/zinc/10/66/66/381106666.db2.gz MJWNHHLPWGBSJL-QMMMGPOBSA-N -1 0 316.326 -0.524 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCCC(=O)OC)C1 ZINC000387212117 381158695 /nfs/dbraw/zinc/15/86/95/381158695.db2.gz DVLLKCVYKOGYSG-LBPRGKRZSA-N -1 0 323.367 -0.308 20 0 DBADRM C[C@@H](CN(C)C(=O)CN1CCN(C2CC2)C1=O)c1nnn[n-]1 ZINC000613473600 381124388 /nfs/dbraw/zinc/12/43/88/381124388.db2.gz AWYLAHGVEAGVIN-VIFPVBQESA-N -1 0 307.358 -0.338 20 0 DBADRM CCC[C@H](C(=O)N(C)C[C@@H](C)c1nnn[n-]1)S(N)(=O)=O ZINC000613475272 381129089 /nfs/dbraw/zinc/12/90/89/381129089.db2.gz OXIIDGLAEKPXEV-HTQZYQBOSA-N -1 0 304.376 -0.781 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])[C@H]1CO ZINC000613834924 381198209 /nfs/dbraw/zinc/19/82/09/381198209.db2.gz SLQNRMTYYCIGCY-KCJUWKMLSA-N -1 0 314.363 -0.118 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](CO)CC(F)F)c1 ZINC000614004483 381209438 /nfs/dbraw/zinc/20/94/38/381209438.db2.gz MTSAAFBSBRZSHS-ZCFIWIBFSA-N -1 0 324.305 -0.215 20 0 DBADRM C[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)N(C)C ZINC000054793117 381169633 /nfs/dbraw/zinc/16/96/33/381169633.db2.gz IOOJREVYXMXEHV-ZCFIWIBFSA-N -1 0 305.294 -0.770 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614502368 381262808 /nfs/dbraw/zinc/26/28/08/381262808.db2.gz KGPLIDJFVOFBLD-SECBINFHSA-N -1 0 323.353 -0.984 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)c1[O-] ZINC000614295776 381244216 /nfs/dbraw/zinc/24/42/16/381244216.db2.gz BSNQHGZNMFWJBK-UHFFFAOYSA-N -1 0 305.342 -0.015 20 0 DBADRM C[C@H]1OCC[C@H]1S(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000530141501 381292741 /nfs/dbraw/zinc/29/27/41/381292741.db2.gz YBJWDAMCTYQKNV-GHMZBOCLSA-N -1 0 320.411 -0.026 20 0 DBADRM CCn1cc(S(=O)(=O)N2CC[C@@](OC)(C(=O)[O-])C2)cn1 ZINC000530151322 381294460 /nfs/dbraw/zinc/29/44/60/381294460.db2.gz SKRFNJAPTHDFDF-NSHDSACASA-N -1 0 303.340 -0.233 20 0 DBADRM CCn1cnc(S(=O)(=O)N2CC[C@](OC)(C(=O)[O-])C2)c1 ZINC000530154972 381295835 /nfs/dbraw/zinc/29/58/35/381295835.db2.gz ZBMUVCCDINYAHJ-LLVKDONJSA-N -1 0 303.340 -0.233 20 0 DBADRM O=C([O-])c1cncnc1N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000530174619 381296362 /nfs/dbraw/zinc/29/63/62/381296362.db2.gz IMHOSAQVFNFDNV-UHFFFAOYSA-N -1 0 312.351 -0.211 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@](C)(O)COC)ccc1[O-] ZINC000614569421 381298913 /nfs/dbraw/zinc/29/89/13/381298913.db2.gz PMNOLNFIBSWHES-GFCCVEGCSA-N -1 0 318.351 -0.364 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCS(=O)(=O)C2)O[C@H]1C(=O)[O-] ZINC000630118275 381324453 /nfs/dbraw/zinc/32/44/53/381324453.db2.gz DFVBBMOEZUAIIC-ZYUZMQFOSA-N -1 0 305.352 -0.442 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)Cn2cc(C(=O)[O-])cn2)CC1=O ZINC000630123249 381325729 /nfs/dbraw/zinc/32/57/29/381325729.db2.gz OMNIDYVNMARMQC-FBIMIBRVSA-N -1 0 306.322 -0.293 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)CC1=O ZINC000630123646 381326434 /nfs/dbraw/zinc/32/64/34/381326434.db2.gz PPZOSTQMAWLOKS-KXTOZSSYSA-N -1 0 310.350 -0.010 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000538502678 381332196 /nfs/dbraw/zinc/33/21/96/381332196.db2.gz FTAXICMGXTXBGB-AWEZNQCLSA-N -1 0 313.354 -0.612 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N(CC(=O)[O-])C2CC2)c1 ZINC000538504672 381332961 /nfs/dbraw/zinc/33/29/61/381332961.db2.gz JSTORCCEHTXKDX-UHFFFAOYSA-N -1 0 315.351 -0.046 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)[C@H]1CCC[C@H]1C(=O)OC)[C@@H](C)O ZINC000530379961 381307335 /nfs/dbraw/zinc/30/73/35/381307335.db2.gz YBXHFYLZYGCPIB-IMSYWVGJSA-N -1 0 323.367 -0.830 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCn2cccn2)CC[C@@H]1C(=O)[O-] ZINC000627265266 381347055 /nfs/dbraw/zinc/34/70/55/381347055.db2.gz GQKDKWBGAYUIFH-QWRGUYRKSA-N -1 0 308.338 -0.432 20 0 DBADRM COC[C@H](NC(=O)c1cc(S(C)(=O)=O)c(C)o1)C(=O)[O-] ZINC000630176216 381354677 /nfs/dbraw/zinc/35/46/77/381354677.db2.gz TXJGLLKSMUTNNP-ZETCQYMHSA-N -1 0 305.308 -0.179 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCCCC(=O)[O-])c1 ZINC000539571627 381357062 /nfs/dbraw/zinc/35/70/62/381357062.db2.gz WVSYADUQRXAIKO-UHFFFAOYSA-N -1 0 303.340 -0.140 20 0 DBADRM CN(CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21)S(C)(=O)=O ZINC000630283326 381378860 /nfs/dbraw/zinc/37/88/60/381378860.db2.gz SQYOIOGZGJQOLL-DCAQKATOSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@H]2CCc3c(nnn3C)C2)O[C@H]1C(=O)[O-] ZINC000630204835 381365097 /nfs/dbraw/zinc/36/50/97/381365097.db2.gz SUUZNWGHFGFVDF-IWXIMVSXSA-N -1 0 308.338 -0.333 20 0 DBADRM O=C([O-])Cc1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 ZINC000630231979 381368419 /nfs/dbraw/zinc/36/84/19/381368419.db2.gz FNRVIVIIAOQBCY-NSHDSACASA-N -1 0 312.347 -0.378 20 0 DBADRM O=C([O-])[C@@H]1c2ccoc2CCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000630235906 381369641 /nfs/dbraw/zinc/36/96/41/381369641.db2.gz BFWBHUFBJSRHMK-SCZZXKLOSA-N -1 0 314.319 -0.518 20 0 DBADRM CC(C)[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(N)=O ZINC000614885592 381371612 /nfs/dbraw/zinc/37/16/12/381371612.db2.gz OVLKDAJIWRIABA-SNVBAGLBSA-N -1 0 315.351 -0.721 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000630281056 381379364 /nfs/dbraw/zinc/37/93/64/381379364.db2.gz DHLIONNZALCTPB-OUAUKWLOSA-N -1 0 318.395 -0.020 20 0 DBADRM COc1ncnc(OC)c1C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC000630253343 381374511 /nfs/dbraw/zinc/37/45/11/381374511.db2.gz DIELBFVEADBNGB-CYBMUJFWSA-N -1 0 311.294 -0.191 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)c2c(C)nn(C)c2C)C1 ZINC000630251228 381374795 /nfs/dbraw/zinc/37/47/95/381374795.db2.gz WZAYXFNYPHHPQS-AWEZNQCLSA-N -1 0 309.322 -0.078 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000630253191 381375705 /nfs/dbraw/zinc/37/57/05/381375705.db2.gz CJSQQCRVQLBLMU-LBPRGKRZSA-N -1 0 307.368 -0.098 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC000630254235 381376728 /nfs/dbraw/zinc/37/67/28/381376728.db2.gz ORGZBKHVUNXEPC-CABZTGNLSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])C1CC(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000630262357 381376902 /nfs/dbraw/zinc/37/69/02/381376902.db2.gz LWIHRJIUHWKKQD-CBINBANVSA-N -1 0 310.350 -0.007 20 0 DBADRM CN(C)C(=O)COc1ccccc1C(=O)NCCOCC(=O)[O-] ZINC000630262457 381377065 /nfs/dbraw/zinc/37/70/65/381377065.db2.gz MOWAHBWDWASFDH-UHFFFAOYSA-N -1 0 324.333 -0.015 20 0 DBADRM CS(=O)(=O)c1csc(C(=O)NCCOCC(=O)[O-])c1 ZINC000630261864 381377589 /nfs/dbraw/zinc/37/75/89/381377589.db2.gz FIPVSCDKWVNMTO-UHFFFAOYSA-N -1 0 307.349 -0.017 20 0 DBADRM COCCN(CCOC)C(=O)N[C@@H](C(=O)[O-])[C@H]1CCCO1 ZINC000630421819 381409946 /nfs/dbraw/zinc/40/99/46/381409946.db2.gz IJQCUPNMVKIAGK-GHMZBOCLSA-N -1 0 304.343 -0.077 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000543562845 381411970 /nfs/dbraw/zinc/41/19/70/381411970.db2.gz CBDDKMNIZCJBFD-LBPRGKRZSA-N -1 0 319.317 -0.262 20 0 DBADRM CN(CC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-])S(C)(=O)=O ZINC000630275569 381379994 /nfs/dbraw/zinc/37/99/94/381379994.db2.gz OLZBLFZGSMEIPH-ZJUUUORDSA-N -1 0 322.383 -0.736 20 0 DBADRM COCC1(CNC(=O)Cn2cc(C(=O)[O-])nn2)CCOCC1 ZINC000630301072 381381309 /nfs/dbraw/zinc/38/13/09/381381309.db2.gz HCVJSWBSVDKUSL-UHFFFAOYSA-N -1 0 312.326 -0.464 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@H]2CCN(C3CCC3)C2=O)nn1 ZINC000630306690 381384192 /nfs/dbraw/zinc/38/41/92/381384192.db2.gz XCEHTNWBRFEDJQ-VIFPVBQESA-N -1 0 307.310 -0.754 20 0 DBADRM CO[C@H]1CN(C(=O)CN2CSCC2=O)[C@](C)(C(=O)[O-])C1 ZINC000630311774 381388034 /nfs/dbraw/zinc/38/80/34/381388034.db2.gz SJALRVZTMZFGKA-PELKAZGASA-N -1 0 302.352 -0.390 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC000630312464 381388432 /nfs/dbraw/zinc/38/84/32/381388432.db2.gz OUTQZYJKKYNZCY-JOYOIKCWSA-N -1 0 307.368 -0.098 20 0 DBADRM CCn1nc(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)ccc1=O ZINC000630335334 381389956 /nfs/dbraw/zinc/38/99/56/381389956.db2.gz IHQCMTCTVMCIRJ-AWEZNQCLSA-N -1 0 309.322 -0.126 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000627267566 381394590 /nfs/dbraw/zinc/39/45/90/381394590.db2.gz PVGLHCXHXJSNED-WDEREUQCSA-N -1 0 316.354 -0.665 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000544686040 381426095 /nfs/dbraw/zinc/42/60/95/381426095.db2.gz QAMMNPJRAZZMLL-MRVPVSSYSA-N -1 0 306.326 -0.362 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CC1=O ZINC000630443620 381419957 /nfs/dbraw/zinc/41/99/57/381419957.db2.gz DCKBFQNYLUFPPY-OUAUKWLOSA-N -1 0 318.395 -0.020 20 0 DBADRM Nc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC000547548124 381485026 /nfs/dbraw/zinc/48/50/26/381485026.db2.gz FCVZGBLQHLJKHC-LLVKDONJSA-N -1 0 310.335 -0.034 20 0 DBADRM Cc1cc(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)nn1C ZINC000134199108 381474854 /nfs/dbraw/zinc/47/48/54/381474854.db2.gz OQQKYGJOSZEDLD-UHFFFAOYSA-N -1 0 300.278 -0.094 20 0 DBADRM C[C@@](O)(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC000547438376 381478614 /nfs/dbraw/zinc/47/86/14/381478614.db2.gz QAUYMNCEQVSSQP-ZUZCIYMTSA-N -1 0 306.318 -0.009 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000547553827 381484768 /nfs/dbraw/zinc/48/47/68/381484768.db2.gz XYNUYJGFNUXYQF-LURJTMIESA-N -1 0 319.726 -0.060 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1 ZINC000547548416 381485571 /nfs/dbraw/zinc/48/55/71/381485571.db2.gz IFHFZVOGFWVQTB-APPZFPTMSA-N -1 0 309.340 -0.917 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000630628991 381468387 /nfs/dbraw/zinc/46/83/87/381468387.db2.gz DKQNTIGRPUFEIM-UHFFFAOYSA-N -1 0 307.358 -0.508 20 0 DBADRM N#Cc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c(F)c1 ZINC000547547102 381485607 /nfs/dbraw/zinc/48/56/07/381485607.db2.gz NMTCHBMMIUKHKT-VIFPVBQESA-N -1 0 302.283 -0.189 20 0 DBADRM CCOCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000547919023 381503502 /nfs/dbraw/zinc/50/35/02/381503502.db2.gz UUEFPHAVLZSFTG-RKDXNWHRSA-N -1 0 308.356 -0.997 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)N(C)[C@H](C)C1CC1)C(=O)[O-] ZINC000547931990 381503624 /nfs/dbraw/zinc/50/36/24/381503624.db2.gz RFHKXFLJGYVXJB-PSASIEDQSA-N -1 0 322.383 -0.043 20 0 DBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1cccs1 ZINC000547928975 381504954 /nfs/dbraw/zinc/50/49/54/381504954.db2.gz LHKCWLPSADCFMU-SKLCBMLGSA-N -1 0 309.390 -0.046 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000548199851 381518090 /nfs/dbraw/zinc/51/80/90/381518090.db2.gz MRXQTLOSTDZJOX-HBNTYKKESA-N -1 0 306.384 -0.222 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cc2ccccc2o1 ZINC000548197187 381518477 /nfs/dbraw/zinc/51/84/77/381518477.db2.gz AHBYPXLNUGGDKY-UHFFFAOYSA-N -1 0 312.303 -0.088 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548202353 381519370 /nfs/dbraw/zinc/51/93/70/381519370.db2.gz IPJNWYIWOINQBX-IUCAKERBSA-N -1 0 303.340 -0.124 20 0 DBADRM N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000547565294 381486473 /nfs/dbraw/zinc/48/64/73/381486473.db2.gz LKPNTJOXSHEMIL-QMMMGPOBSA-N -1 0 304.711 -0.065 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])c[nH]1 ZINC000547572868 381486616 /nfs/dbraw/zinc/48/66/16/381486616.db2.gz GNVIJYTZUZOWKZ-QMMMGPOBSA-N -1 0 306.296 -0.821 20 0 DBADRM CCOCCS(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000547573761 381486842 /nfs/dbraw/zinc/48/68/42/381486842.db2.gz ICGDVEKGPSHKMS-NSHDSACASA-N -1 0 319.383 -0.381 20 0 DBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000547572657 381486921 /nfs/dbraw/zinc/48/69/21/381486921.db2.gz MUKJOPFHGGGFMC-CIUDSAMLSA-N -1 0 309.340 -0.917 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000547592728 381486940 /nfs/dbraw/zinc/48/69/40/381486940.db2.gz JKRHMEKHPWZSBJ-VHSXEESVSA-N -1 0 322.383 -0.089 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C1CC1 ZINC000547572425 381486975 /nfs/dbraw/zinc/48/69/75/381486975.db2.gz LRDARIBILHJTQX-NSHDSACASA-N -1 0 323.334 -0.196 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 ZINC000547592170 381487120 /nfs/dbraw/zinc/48/71/20/381487120.db2.gz UWWIJSBWDNBTRI-QMMMGPOBSA-N -1 0 318.355 -0.539 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCOCC(=O)[O-])cs1 ZINC000547613242 381488438 /nfs/dbraw/zinc/48/84/38/381488438.db2.gz ONEAERFUPLUEOS-UHFFFAOYSA-N -1 0 323.348 -0.086 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)[C@@H]2CCCOC2)CCOCC1 ZINC000548215483 381519863 /nfs/dbraw/zinc/51/98/63/381519863.db2.gz CUDPVHCBSHIOST-SNVBAGLBSA-N -1 0 307.368 -0.034 20 0 DBADRM Cc1cc(C)n(C[C@@H](NS(=O)(=O)c2c[nH]cn2)C(=O)[O-])n1 ZINC000548207703 381520079 /nfs/dbraw/zinc/52/00/79/381520079.db2.gz REPHXAVNGBWHIT-SECBINFHSA-N -1 0 313.339 -0.345 20 0 DBADRM CN1CCc2ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc21 ZINC000547874257 381500357 /nfs/dbraw/zinc/50/03/57/381500357.db2.gz UGQSSLAGDGCBLL-SNVBAGLBSA-N -1 0 300.336 -0.597 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000547878014 381501942 /nfs/dbraw/zinc/50/19/42/381501942.db2.gz WSOZDNJAFLBBFP-IWSPIJDZSA-N -1 0 309.340 -0.917 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)CC1CCOCC1)C(=O)[O-] ZINC000547907444 381502073 /nfs/dbraw/zinc/50/20/73/381502073.db2.gz QCWNGFOXLLOFFU-GHMZBOCLSA-N -1 0 309.384 -0.053 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-] ZINC000547879237 381502176 /nfs/dbraw/zinc/50/21/76/381502176.db2.gz NTSXBNCQCAPWJG-ZETCQYMHSA-N -1 0 305.312 -0.802 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000547882673 381502249 /nfs/dbraw/zinc/50/22/49/381502249.db2.gz WSOZDNJAFLBBFP-VGMNWLOBSA-N -1 0 309.340 -0.917 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)C(=O)[O-] ZINC000547882086 381502890 /nfs/dbraw/zinc/50/28/90/381502890.db2.gz IYEVGACGSOHCHZ-VIFPVBQESA-N -1 0 317.367 -0.132 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@@H](OC)C(=O)[O-] ZINC000548543693 381537584 /nfs/dbraw/zinc/53/75/84/381537584.db2.gz FWHNHHGIIHDJSA-BBBLOLIVSA-N -1 0 323.367 -0.263 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])cn1C ZINC000548552479 381538047 /nfs/dbraw/zinc/53/80/47/381538047.db2.gz VCMBIYXJQSUPAG-VIFPVBQESA-N -1 0 320.323 -0.810 20 0 DBADRM CCCS(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000548573004 381539542 /nfs/dbraw/zinc/53/95/42/381539542.db2.gz CWXUFSNDVWIAFK-NXEZZACHSA-N -1 0 304.368 -0.266 20 0 DBADRM CCn1nccc1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC000548566953 381539918 /nfs/dbraw/zinc/53/99/18/381539918.db2.gz VVTGHPCIDZQCQY-SECBINFHSA-N -1 0 305.356 -0.251 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000548570479 381540132 /nfs/dbraw/zinc/54/01/32/381540132.db2.gz ZIJGMUIKPXFPOC-GHMZBOCLSA-N -1 0 324.399 -0.237 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCCOCC(=O)[O-] ZINC000548589322 381540939 /nfs/dbraw/zinc/54/09/39/381540939.db2.gz LXZFHNQACZXPQZ-ZJUUUORDSA-N -1 0 323.367 -0.261 20 0 DBADRM CC(C)CS(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000548586436 381541161 /nfs/dbraw/zinc/54/11/61/381541161.db2.gz VNRTZHCKISDRRD-GHMZBOCLSA-N -1 0 318.395 -0.020 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)NCCOCC(=O)[O-])CC1 ZINC000548590448 381541390 /nfs/dbraw/zinc/54/13/90/381541390.db2.gz XUWFWRQEOOWHJX-UHFFFAOYSA-N -1 0 309.340 -0.650 20 0 DBADRM CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(N)=O ZINC000615107820 381543225 /nfs/dbraw/zinc/54/32/25/381543225.db2.gz JZLCTXSVRLLLDZ-QMMMGPOBSA-N -1 0 301.324 -0.967 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548770274 381550025 /nfs/dbraw/zinc/55/00/25/381550025.db2.gz WTJGBFKNGHXUDK-NXEZZACHSA-N -1 0 317.367 -0.113 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC000548243349 381521271 /nfs/dbraw/zinc/52/12/71/381521271.db2.gz RZDAKVKYNYMZFF-QMMMGPOBSA-N -1 0 319.383 -0.117 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC000548231758 381521381 /nfs/dbraw/zinc/52/13/81/381521381.db2.gz RYPZNVZATYCZCS-SSDOTTSWSA-N -1 0 305.356 -0.127 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000548257004 381521472 /nfs/dbraw/zinc/52/14/72/381521472.db2.gz PPGPYFJYYQODPB-WPCRTTGESA-N -1 0 321.380 -0.767 20 0 DBADRM O=C([O-])C[C@H](NS(=O)(=O)[C@@H]1CCOC1)C1CCOCC1 ZINC000548239734 381521544 /nfs/dbraw/zinc/52/15/44/381521544.db2.gz QZDROJKJDCOQQB-MNOVXSKESA-N -1 0 307.368 -0.035 20 0 DBADRM CCCCN(C)S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000548256717 381521741 /nfs/dbraw/zinc/52/17/41/381521741.db2.gz GFYUANJUFISOIS-YYSFKGJASA-N -1 0 312.413 -0.519 20 0 DBADRM CCCNC(=O)C[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000136426250 381531699 /nfs/dbraw/zinc/53/16/99/381531699.db2.gz WCAAMKKUQAYWLP-UHFFFAOYSA-N -1 0 321.380 -0.266 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@]12CCC(=O)N1CCS2)c1nnn[n-]1 ZINC000548467132 381534236 /nfs/dbraw/zinc/53/42/36/381534236.db2.gz IGMRRKXXXHDQDR-UFBFGSQYSA-N -1 0 310.383 -0.173 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)C[C@@H](C)O1 ZINC000548528883 381535055 /nfs/dbraw/zinc/53/50/55/381535055.db2.gz IARAFNPXWVFSHD-DBIOUOCHSA-N -1 0 322.383 -0.580 20 0 DBADRM COCCCS(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548531976 381535318 /nfs/dbraw/zinc/53/53/18/381535318.db2.gz ZRHNQUCUHRWFKV-JTQLQIEISA-N -1 0 305.356 -0.399 20 0 DBADRM CC[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000548531215 381536104 /nfs/dbraw/zinc/53/61/04/381536104.db2.gz XUHQVMVCFOADAU-VIFPVBQESA-N -1 0 322.364 -0.525 20 0 DBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1cccc2c1OCO2 ZINC000548876319 381553872 /nfs/dbraw/zinc/55/38/72/381553872.db2.gz YNZRWPBVJONFNL-MRVPVSSYSA-N -1 0 315.303 -0.111 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-] ZINC000549017485 381558073 /nfs/dbraw/zinc/55/80/73/381558073.db2.gz QURHAOMEUKBGGP-ZCFIWIBFSA-N -1 0 316.291 -0.978 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)[C@H]2CN3CCN2CCC3)s[n-]1 ZINC000549373081 381560028 /nfs/dbraw/zinc/56/00/28/381560028.db2.gz VHMAWXUFCUOVOW-VHSXEESVSA-N -1 0 311.411 -0.004 20 0 DBADRM C[C@H](C(=O)[O-])C1CN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000253175177 381617145 /nfs/dbraw/zinc/61/71/45/381617145.db2.gz OAHGLCCQEQQPPW-BBBLOLIVSA-N -1 0 306.384 -0.007 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccc(-n2cncn2)nc1 ZINC000261919422 381622823 /nfs/dbraw/zinc/62/28/23/381622823.db2.gz HNQJGLUDEWFRQF-UHFFFAOYSA-N -1 0 305.294 -0.165 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)Cn1nc2ccccn2c1=O ZINC000261996542 381623362 /nfs/dbraw/zinc/62/33/62/381623362.db2.gz UOKHPWNFQVWZLI-JTQLQIEISA-N -1 0 304.306 -0.038 20 0 DBADRM CCN1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)C(=O)C1=O ZINC000261918034 381623396 /nfs/dbraw/zinc/62/33/96/381623396.db2.gz HHBCOTRHJNZOCR-UHFFFAOYSA-N -1 0 311.338 -1.000 20 0 DBADRM O=C([O-])[C@@H](CC1CC1)NC(=O)Cn1nc2ccccn2c1=O ZINC000262440185 381627375 /nfs/dbraw/zinc/62/73/75/381627375.db2.gz GRAHRNIDFDMSBO-SNVBAGLBSA-N -1 0 304.306 -0.135 20 0 DBADRM NC(=O)[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000566301019 381649520 /nfs/dbraw/zinc/64/95/20/381649520.db2.gz KHWDWNASXJXGSC-LLVKDONJSA-N -1 0 309.297 -0.419 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2ncc(S(N)(=O)=O)s2)C1 ZINC000566298520 381649918 /nfs/dbraw/zinc/64/99/18/381649918.db2.gz UCSCHSLLFKMTOO-SNVBAGLBSA-N -1 0 321.380 -0.282 20 0 DBADRM CCN(CCCNC(=O)[C@H]1CC[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000261977090 284911270 /nfs/dbraw/zinc/91/12/70/284911270.db2.gz BTTPOCMVQNXVNE-VHSXEESVSA-N -1 0 306.384 -0.115 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)NCCN2CCCC2=O)C1 ZINC000566683884 381668167 /nfs/dbraw/zinc/66/81/67/381668167.db2.gz JZSYQHAYIICSRJ-JTQLQIEISA-N -1 0 311.338 -0.952 20 0 DBADRM CCn1cc(-c2n[nH]cc2C(=O)NC[C@@](C)(O)C(=O)[O-])cn1 ZINC000566737723 381670247 /nfs/dbraw/zinc/67/02/47/381670247.db2.gz LSGLMYFGCCXLGA-CYBMUJFWSA-N -1 0 307.310 -0.142 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2csnc2C(=O)[O-])CCO1 ZINC000566794443 381671541 /nfs/dbraw/zinc/67/15/41/381671541.db2.gz DPBVATYMCKMKCI-SSDOTTSWSA-N -1 0 322.364 -0.123 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CN1CCCS1(=O)=O)CC1CC1 ZINC000566345220 381650945 /nfs/dbraw/zinc/65/09/45/381650945.db2.gz NXPKOEWLXBVHJU-SNVBAGLBSA-N -1 0 304.368 -0.361 20 0 DBADRM COCCOCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000567804722 381713349 /nfs/dbraw/zinc/71/33/49/381713349.db2.gz WWHXRSRZQCMYJQ-UHFFFAOYSA-N -1 0 304.324 -0.279 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)c2cccc(CC(=O)[O-])c2)CC1=O ZINC000566976317 381677283 /nfs/dbraw/zinc/67/72/83/381677283.db2.gz LIGJFAMTONWVFQ-JTQLQIEISA-N -1 0 312.347 -0.177 20 0 DBADRM O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1nc(=O)[nH][n-]1 ZINC000153584132 381678233 /nfs/dbraw/zinc/67/82/33/381678233.db2.gz VIXLMLLYAHAKKN-QMMMGPOBSA-N -1 0 323.259 -0.089 20 0 DBADRM C[C@@H]1C[C@H](S(=O)(=O)NCCC(=O)NCC(=O)[O-])CCO1 ZINC000567239594 381687519 /nfs/dbraw/zinc/68/75/19/381687519.db2.gz VYTVHOUGOSXROZ-RKDXNWHRSA-N -1 0 308.356 -0.936 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)NC1(C(=O)[O-])CCC1 ZINC000567211071 381688310 /nfs/dbraw/zinc/68/83/10/381688310.db2.gz NUJOASJCDHOYPM-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM COc1cc(CNC(=O)[C@H](C)C(=O)[O-])ccc1OCC(N)=O ZINC000567384130 381693070 /nfs/dbraw/zinc/69/30/70/381693070.db2.gz VOVGPZBFUBQSSF-QMMMGPOBSA-N -1 0 310.306 -0.104 20 0 DBADRM COc1cc(CNC(=O)[C@@H](C)C(=O)[O-])ccc1OCC(N)=O ZINC000567384129 381693548 /nfs/dbraw/zinc/69/35/48/381693548.db2.gz VOVGPZBFUBQSSF-MRVPVSSYSA-N -1 0 310.306 -0.104 20 0 DBADRM Cc1nnnn1-c1cccc(NC(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000567552481 381699897 /nfs/dbraw/zinc/69/98/97/381699897.db2.gz VIUYZFZAZJPIMT-JTQLQIEISA-N -1 0 306.282 -0.462 20 0 DBADRM COCc1cc(NCCn2cc(C(=O)[O-])nn2)n2ncnc2n1 ZINC000567616912 381705140 /nfs/dbraw/zinc/70/51/40/381705140.db2.gz UNMNRJRHTQMFHJ-UHFFFAOYSA-N -1 0 318.297 -0.328 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C2(C(=O)[O-])CCOCC2)CC1=O ZINC000567970094 381729629 /nfs/dbraw/zinc/72/96/29/381729629.db2.gz HCWKCBJYWUUMPC-MXWKQRLJSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ncccn2)C1 ZINC000568288290 381753690 /nfs/dbraw/zinc/75/36/90/381753690.db2.gz ZIFMFOKCLXQHGW-UWVGGRQHSA-N -1 0 306.322 -0.338 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ncccn2)C1 ZINC000568288289 381754532 /nfs/dbraw/zinc/75/45/32/381754532.db2.gz ZIFMFOKCLXQHGW-NXEZZACHSA-N -1 0 306.322 -0.338 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NCCNC(=O)c2cccnc2)O1 ZINC000567844708 381718437 /nfs/dbraw/zinc/71/84/37/381718437.db2.gz ZWGABWSGHPRGMY-WDEREUQCSA-N -1 0 307.306 -0.440 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCS(C)(=O)=O)C1 ZINC000063142785 184273793 /nfs/dbraw/zinc/27/37/93/184273793.db2.gz VHCQOXGYYPNHMG-SNVBAGLBSA-N -1 0 313.397 -0.453 20 0 DBADRM CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000063142729 184273818 /nfs/dbraw/zinc/27/38/18/184273818.db2.gz CRNLGXZZXDALPE-QMMMGPOBSA-N -1 0 301.386 -0.597 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000569124130 381789671 /nfs/dbraw/zinc/78/96/71/381789671.db2.gz ZEJHKIUIYFUEQY-LLVKDONJSA-N -1 0 313.335 -0.758 20 0 DBADRM Cn1nccc1S(=O)(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000569238447 381794177 /nfs/dbraw/zinc/79/41/77/381794177.db2.gz MBNFRGMJTNCOFC-UHFFFAOYSA-N -1 0 303.340 -0.326 20 0 DBADRM Cc1c(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@H]2C(=O)[O-])cnn1C ZINC000568632340 381768401 /nfs/dbraw/zinc/76/84/01/381768401.db2.gz NKAXHLMXHRYDJA-NMLBEHRDSA-N -1 0 317.367 -0.020 20 0 DBADRM C[C@H]1CCCc2nc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cn21 ZINC000568663668 381770435 /nfs/dbraw/zinc/77/04/35/381770435.db2.gz FBHQXKDDODLBBS-JGVFFNPUSA-N -1 0 303.340 -0.496 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C(=O)[O-])C(C)C ZINC000568752578 381773082 /nfs/dbraw/zinc/77/30/82/381773082.db2.gz GLLRMTYTUGHOMB-GXSJLCMTSA-N -1 0 313.354 -0.804 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2nc3c(cnn3C)c(N)n2)C1 ZINC000568868886 381777097 /nfs/dbraw/zinc/77/70/97/381777097.db2.gz AEBSOZQSJZFJOW-CYBMUJFWSA-N -1 0 306.326 -0.127 20 0 DBADRM O=C([O-])Cn1cc(CNS(=O)(=O)c2cncc(F)c2)nn1 ZINC000167257986 381821665 /nfs/dbraw/zinc/82/16/65/381821665.db2.gz XULVKDCUUVCBMK-UHFFFAOYSA-N -1 0 315.286 -0.625 20 0 DBADRM CCn1cnc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000167254687 381822346 /nfs/dbraw/zinc/82/23/46/381822346.db2.gz KGBBFXCDBCGMSQ-UHFFFAOYSA-N -1 0 314.327 -0.942 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000299945004 381826161 /nfs/dbraw/zinc/82/61/61/381826161.db2.gz PHRXEFISDXELPW-AEJSXWLSSA-N -1 0 319.383 -0.570 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)cn1 ZINC000573400144 381826907 /nfs/dbraw/zinc/82/69/07/381826907.db2.gz HHYJNECVBRJWFB-PWSUYJOCSA-N -1 0 315.351 -0.468 20 0 DBADRM CC[C@H](NC(=O)NCC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000573948776 381845016 /nfs/dbraw/zinc/84/50/16/381845016.db2.gz NSZCXFWMHXOOOW-JTQLQIEISA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@](C)(O)C2)C[C@H]1C(=O)[O-] ZINC000573683900 381836862 /nfs/dbraw/zinc/83/68/62/381836862.db2.gz MPYMKEWNHKIHIA-HFAKWTLXSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)(NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000573717803 381838183 /nfs/dbraw/zinc/83/81/83/381838183.db2.gz CUEMJWJITXAESF-UHFFFAOYSA-N -1 0 311.323 -0.196 20 0 DBADRM CCN(CCCNC(=O)NC(C)(C)C(=O)[O-])S(C)(=O)=O ZINC000573712372 381838466 /nfs/dbraw/zinc/83/84/66/381838466.db2.gz RCELPBFAAHPFSC-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2CC[C@@H](C)C2)C1 ZINC000572952722 381807343 /nfs/dbraw/zinc/80/73/43/381807343.db2.gz GCJHYZKQKCQWGI-PWSUYJOCSA-N -1 0 306.384 -0.004 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N(C)[C@@H](C)CC(=O)[O-] ZINC000572976060 381807587 /nfs/dbraw/zinc/80/75/87/381807587.db2.gz KNPZIUCARPBMQA-VIFPVBQESA-N -1 0 301.343 -0.660 20 0 DBADRM C[C@@H](C(=O)Nc1ncccn1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000573123779 381813965 /nfs/dbraw/zinc/81/39/65/381813965.db2.gz OANRKKWPDOVMBZ-VIFPVBQESA-N -1 0 307.310 -0.968 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000573115607 381814894 /nfs/dbraw/zinc/81/48/94/381814894.db2.gz FANLDYDALRUPAJ-NBEYISGCSA-N -1 0 301.324 -0.046 20 0 DBADRM O=C(NCC(F)F)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000574811018 381878036 /nfs/dbraw/zinc/87/80/36/381878036.db2.gz FUPBCHMCNIQUAJ-ZCFIWIBFSA-N -1 0 303.269 -0.402 20 0 DBADRM CO[C@H]1CCN(C(=O)CN2CSCC2=O)[C@H](C(=O)[O-])C1 ZINC000574220535 381856676 /nfs/dbraw/zinc/85/66/76/381856676.db2.gz LHRFKSMICFDTSE-IUCAKERBSA-N -1 0 302.352 -0.390 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)N1CCC(C)CC1)C(=O)[O-] ZINC000168819848 381857970 /nfs/dbraw/zinc/85/79/70/381857970.db2.gz HCHUCHXIMRGGCM-JTQLQIEISA-N -1 0 322.383 -0.041 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1C(N)=O ZINC000574271182 381858106 /nfs/dbraw/zinc/85/81/06/381858106.db2.gz RSVRNRHRKJDTMM-LJGSYFOKSA-N -1 0 301.324 -0.735 20 0 DBADRM Cc1noc([C@@H](C)NS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])n1 ZINC000575919939 381903543 /nfs/dbraw/zinc/90/35/43/381903543.db2.gz DYOKZIQYRSSXTR-HTRCEHHLSA-N -1 0 304.328 -0.178 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)C1CC1 ZINC000575926954 381904554 /nfs/dbraw/zinc/90/45/54/381904554.db2.gz OOULGFYVZCZURW-MRTMQBJTSA-N -1 0 306.384 -0.118 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)C2(C(=O)[O-])CCCC2)C1 ZINC000575928680 381904698 /nfs/dbraw/zinc/90/46/98/381904698.db2.gz WCWKRHYZBIMBLV-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CCCC1 ZINC000576038416 381908772 /nfs/dbraw/zinc/90/87/72/381908772.db2.gz SJCFTKONRWDVRW-BDAKNGLRSA-N -1 0 323.367 -0.527 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3n[nH]cc3c2)CCS1(=O)=O ZINC000576028377 381909823 /nfs/dbraw/zinc/90/98/23/381909823.db2.gz SDLADJXNDACBHV-LLVKDONJSA-N -1 0 323.330 -0.113 20 0 DBADRM CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC000576147017 381914049 /nfs/dbraw/zinc/91/40/49/381914049.db2.gz VSRCAWNEPSUPTQ-ZUZCIYMTSA-N -1 0 323.349 -1.000 20 0 DBADRM CSC1(CNC(=O)C(=O)NCCCC(=O)[O-])CCOCC1 ZINC000576160394 381914133 /nfs/dbraw/zinc/91/41/33/381914133.db2.gz FGMWEUZCEXOWRL-UHFFFAOYSA-N -1 0 318.395 -0.004 20 0 DBADRM C[C@@H](NS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000576224542 381915914 /nfs/dbraw/zinc/91/59/14/381915914.db2.gz WVCQQSLMGVBOQS-MRVPVSSYSA-N -1 0 321.376 -0.017 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(c3nccn4nnnc34)C2)nn1 ZINC000577384882 381959342 /nfs/dbraw/zinc/95/93/42/381959342.db2.gz DGQAUDGWGHKGGA-ZETCQYMHSA-N -1 0 301.270 -0.740 20 0 DBADRM CCOC[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000577670005 381970788 /nfs/dbraw/zinc/97/07/88/381970788.db2.gz VGTMPSDISVLYNY-AEJSXWLSSA-N -1 0 310.372 -0.580 20 0 DBADRM Cc1c(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)cnn1C ZINC000576717668 381934713 /nfs/dbraw/zinc/93/47/13/381934713.db2.gz LWYZHTMRNJVICW-KOLCDFICSA-N -1 0 317.367 -0.425 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCC(=O)NCC2CC2)c1 ZINC000576874444 381939710 /nfs/dbraw/zinc/93/97/10/381939710.db2.gz PNWCUQGBUJXVDF-UHFFFAOYSA-N -1 0 319.317 -0.034 20 0 DBADRM NS(=O)(=O)c1cccnc1N1CCO[C@H](CC(=O)[O-])C1 ZINC000580569271 381945760 /nfs/dbraw/zinc/94/57/60/381945760.db2.gz HJUXQHQIMSSATG-MRVPVSSYSA-N -1 0 301.324 -0.591 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCCC(=O)N1CCCCC1 ZINC000580564669 381946045 /nfs/dbraw/zinc/94/60/45/381946045.db2.gz DDNQWMJDISFVJS-UHFFFAOYSA-N -1 0 313.354 -0.514 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)co1 ZINC000577178241 381952219 /nfs/dbraw/zinc/95/22/19/381952219.db2.gz KZWFAYARTFITES-VXNVDRBHSA-N -1 0 316.335 -0.020 20 0 DBADRM COc1ccc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1 ZINC000578130235 381995754 /nfs/dbraw/zinc/99/57/54/381995754.db2.gz YUGZAZJDNLKWAQ-VIFPVBQESA-N -1 0 316.335 -0.046 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])C[C@H](C)O1 ZINC000578193425 382002481 /nfs/dbraw/zinc/00/24/81/382002481.db2.gz WPNHHDRSOVJJDT-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000578193371 382002746 /nfs/dbraw/zinc/00/27/46/382002746.db2.gz UYTLNMVSCXPFAE-SSDOTTSWSA-N -1 0 304.299 -0.307 20 0 DBADRM C[C@](O)(CNC(=O)Cn1nnnc1-c1ccsc1)C(=O)[O-] ZINC000578237239 382006966 /nfs/dbraw/zinc/00/69/66/382006966.db2.gz FTKAQIRDAWQQEV-NSHDSACASA-N -1 0 311.323 -0.647 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](C)C(=O)[O-] ZINC000578236563 382006991 /nfs/dbraw/zinc/00/69/91/382006991.db2.gz AGSZORCJXBCTKH-BDAKNGLRSA-N -1 0 302.327 -0.473 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000578237344 382007333 /nfs/dbraw/zinc/00/73/33/382007333.db2.gz JHKBNBGAGDZGCB-KOLCDFICSA-N -1 0 313.354 -0.850 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c(F)c1 ZINC000578387760 382015054 /nfs/dbraw/zinc/01/50/54/382015054.db2.gz GGQYWNHICKLNPX-SECBINFHSA-N -1 0 307.299 -0.052 20 0 DBADRM COC[C@@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000578080661 381992117 /nfs/dbraw/zinc/99/21/17/381992117.db2.gz QIHHCTRYWUXHKC-MRVPVSSYSA-N -1 0 308.356 -0.790 20 0 DBADRM COc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c(F)c1 ZINC000578387790 382015672 /nfs/dbraw/zinc/01/56/72/382015672.db2.gz PNTMPVNIGLWKQZ-UHFFFAOYSA-N -1 0 320.298 -0.687 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)N2CCC2)C1=O ZINC000578980503 382043020 /nfs/dbraw/zinc/04/30/20/382043020.db2.gz MXKNMLVOWMSCIZ-NXEZZACHSA-N -1 0 319.383 -0.763 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)nn1C ZINC000579473896 382069177 /nfs/dbraw/zinc/06/91/77/382069177.db2.gz RKMKXVOQIJRUGR-DTWKUNHWSA-N -1 0 324.337 -0.064 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)c(F)c1 ZINC000579328113 382061095 /nfs/dbraw/zinc/06/10/95/382061095.db2.gz BUGMBIFJZYZHJG-WKEGUHRASA-N -1 0 307.299 -0.053 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@H]1CCCS1(=O)=O ZINC000578521581 382019250 /nfs/dbraw/zinc/01/92/50/382019250.db2.gz YBKOBRYOEBEQRZ-SNVBAGLBSA-N -1 0 323.334 -0.116 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cccc2c1OCC2)C(=O)[O-] ZINC000578636661 382025837 /nfs/dbraw/zinc/02/58/37/382025837.db2.gz KXQXIEAEUNKVJT-SECBINFHSA-N -1 0 301.320 -0.001 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000578654798 382027407 /nfs/dbraw/zinc/02/74/07/382027407.db2.gz HPJCQJLBPJNHSF-IUCAKERBSA-N -1 0 312.326 -0.470 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cnn1C ZINC000578652738 382027730 /nfs/dbraw/zinc/02/77/30/382027730.db2.gz WVZICXDBLKXTQS-SKDRFNHKSA-N -1 0 322.365 -0.086 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000578753033 382031406 /nfs/dbraw/zinc/03/14/06/382031406.db2.gz GJZLRMYBHNOCRO-VHSXEESVSA-N -1 0 300.311 -0.780 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000579964299 382103570 /nfs/dbraw/zinc/10/35/70/382103570.db2.gz BMFIHILWAJIGEZ-IVZWLZJFSA-N -1 0 320.367 -0.984 20 0 DBADRM COC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000579957587 382104737 /nfs/dbraw/zinc/10/47/37/382104737.db2.gz RAMGTGZSKTYVQT-AWEZNQCLSA-N -1 0 310.306 -0.163 20 0 DBADRM COC(=O)c1cn(CC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)nn1 ZINC000580956637 382123121 /nfs/dbraw/zinc/12/31/21/382123121.db2.gz DOMPRMWESPCUIK-BDAKNGLRSA-N -1 0 310.310 -0.366 20 0 DBADRM C[C@@H]1CC(C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000579597967 382079544 /nfs/dbraw/zinc/07/95/44/382079544.db2.gz LNXOLFLNZAEEGZ-MRTMQBJTSA-N -1 0 324.337 -0.017 20 0 DBADRM COc1cccc(CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000360411057 382083749 /nfs/dbraw/zinc/08/37/49/382083749.db2.gz BCUHWBSZJJTTMJ-UHFFFAOYSA-N -1 0 306.318 -0.007 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)[C@@H]1CCO[C@H](C)C1)C(=O)[O-] ZINC000579717467 382088322 /nfs/dbraw/zinc/08/83/22/382088322.db2.gz AVTQUWTUCICUIG-BBBLOLIVSA-N -1 0 323.367 -0.120 20 0 DBADRM Cc1cc(C(=O)NCC(C)(CO)CO)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000579841948 382095708 /nfs/dbraw/zinc/09/57/08/382095708.db2.gz VDIZZHPRRQKUNH-UHFFFAOYSA-N -1 0 322.321 -0.535 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000581129485 382131993 /nfs/dbraw/zinc/13/19/93/382131993.db2.gz WCJHBIZAMISGFP-GMTAPVOTSA-N -1 0 322.383 -0.436 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000581168158 382133597 /nfs/dbraw/zinc/13/35/97/382133597.db2.gz CRBWLZWXSCEKAL-VWYCJHECSA-N -1 0 306.384 -0.127 20 0 DBADRM COC(=O)Cc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000581166948 382133915 /nfs/dbraw/zinc/13/39/15/382133915.db2.gz HDHSVTBXAFMMMF-JTQLQIEISA-N -1 0 317.319 -0.874 20 0 DBADRM CCn1cnc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])c1 ZINC000380917061 382139722 /nfs/dbraw/zinc/13/97/22/382139722.db2.gz KWMXWPYYWOTKRJ-SCZZXKLOSA-N -1 0 303.340 -0.234 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1Cc2ccccc2NC(=O)C1 ZINC000581320663 382141762 /nfs/dbraw/zinc/14/17/62/382141762.db2.gz KUBMDZQMHSXWLS-UHFFFAOYSA-N -1 0 319.317 -0.100 20 0 DBADRM COC[C@](C)(NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000381061899 382142231 /nfs/dbraw/zinc/14/22/31/382142231.db2.gz NQHCNKKZFFWROE-QXEWZRGKSA-N -1 0 310.372 -0.580 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc(Br)o1 ZINC000381033439 382142826 /nfs/dbraw/zinc/14/28/26/382142826.db2.gz AVBKLDVLYWZZCE-BYPYZUCNSA-N -1 0 314.113 -0.234 20 0 DBADRM COCC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000581548429 382157831 /nfs/dbraw/zinc/15/78/31/382157831.db2.gz HLLVVRLIQRVMCG-NSHDSACASA-N -1 0 310.306 -0.163 20 0 DBADRM CN(C1(C(=O)[O-])CCOCC1)S(=O)(=O)N1CCOCC1 ZINC000581600790 382159003 /nfs/dbraw/zinc/15/90/03/382159003.db2.gz REXJOMMNIJSDOU-UHFFFAOYSA-N -1 0 308.356 -0.871 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000581619007 382163270 /nfs/dbraw/zinc/16/32/70/382163270.db2.gz VSPDTTXZKQELSZ-NAKRPEOUSA-N -1 0 307.368 -0.349 20 0 DBADRM O=C(c1nn(-c2cccc(F)c2)cc1[O-])N1CC(O)(CO)C1 ZINC000615435186 382167856 /nfs/dbraw/zinc/16/78/56/382167856.db2.gz VUVXFRBMKHBBGG-UHFFFAOYSA-N -1 0 307.281 -0.104 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC(CC(=O)[O-])CC1 ZINC000581669760 382168662 /nfs/dbraw/zinc/16/86/62/382168662.db2.gz GGFLGOXKUZIJMB-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CC[C@H]2C(=O)[O-])C1 ZINC000384565533 382169165 /nfs/dbraw/zinc/16/91/65/382169165.db2.gz JUAHICSMZKTAGO-UWVGGRQHSA-N -1 0 320.367 -0.335 20 0 DBADRM C[C@@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC(=O)N1 ZINC000581708018 382169860 /nfs/dbraw/zinc/16/98/60/382169860.db2.gz KMWNFJRDVGVZGV-SECBINFHSA-N -1 0 308.363 -0.171 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC(=O)N[C@@H](C)C1 ZINC000386973988 382198601 /nfs/dbraw/zinc/19/86/01/382198601.db2.gz CETQPMFNDKHLHJ-LURJTMIESA-N -1 0 302.308 -0.205 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC000581997066 382206366 /nfs/dbraw/zinc/20/63/66/382206366.db2.gz NMNUDTIIMVISKF-NWDGAFQWSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)CCC1 ZINC000627280145 382215113 /nfs/dbraw/zinc/21/51/13/382215113.db2.gz AJZURPYZRMAHHS-MEDUHNTESA-N -1 0 324.377 -0.022 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCCOC2)CCO1 ZINC000627280281 382215398 /nfs/dbraw/zinc/21/53/98/382215398.db2.gz DGDQJHSBCBSJJL-GHMZBOCLSA-N -1 0 314.338 -0.769 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCOCCF)CC[C@@H]1C(=O)[O-] ZINC000627281152 382215787 /nfs/dbraw/zinc/21/57/87/382215787.db2.gz XEBVJCZYKVQSPJ-UWVGGRQHSA-N -1 0 304.318 -0.342 20 0 DBADRM CCC[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)OCC ZINC000627282188 382216044 /nfs/dbraw/zinc/21/60/44/382216044.db2.gz VNMWCXCCBYQBMI-GHMZBOCLSA-N -1 0 316.354 -0.380 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CCCNC2=O)c1 ZINC000615695919 382224358 /nfs/dbraw/zinc/22/43/58/382224358.db2.gz BKDDJMQTCVYWKU-VIFPVBQESA-N -1 0 313.335 -0.952 20 0 DBADRM COCC1(O)CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000615706273 382225828 /nfs/dbraw/zinc/22/58/28/382225828.db2.gz UYGAEOBHFIPBRJ-UHFFFAOYSA-N -1 0 305.290 -0.137 20 0 DBADRM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000081902559 382292564 /nfs/dbraw/zinc/29/25/64/382292564.db2.gz WBTDUFFZGWRCDP-ZCFIWIBFSA-N -1 0 310.353 -0.576 20 0 DBADRM CN(C)C(=O)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000104099177 382242968 /nfs/dbraw/zinc/24/29/68/382242968.db2.gz XIZJRLCQCONTRL-UHFFFAOYSA-N -1 0 304.354 -0.178 20 0 DBADRM Cc1nc(CNS(=O)(=O)N2CCOCC2)sc1C(=O)[O-] ZINC000110789019 382324121 /nfs/dbraw/zinc/32/41/21/382324121.db2.gz UJZDZWNCDGLQDU-UHFFFAOYSA-N -1 0 321.380 -0.184 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCC2CCOCC2)cn1 ZINC000111163828 382326830 /nfs/dbraw/zinc/32/68/30/382326830.db2.gz KWHKDKQUQUGPRJ-UHFFFAOYSA-N -1 0 303.340 -0.327 20 0 DBADRM CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1=O ZINC000084199443 382327403 /nfs/dbraw/zinc/32/74/03/382327403.db2.gz PILLVCAIXYUWGW-UHFFFAOYSA-N -1 0 304.349 -0.091 20 0 DBADRM C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)N1CCS(=O)(=O)CC1 ZINC000111434082 382329409 /nfs/dbraw/zinc/32/94/09/382329409.db2.gz YZWJKKHEGQHKMQ-JGVFFNPUSA-N -1 0 308.381 -0.315 20 0 DBADRM Cn1cc(I)c(=O)n(CC(=O)[O-])c1=O ZINC000086788355 382330605 /nfs/dbraw/zinc/33/06/05/382330605.db2.gz RPXHRVSQTPZVHL-UHFFFAOYSA-N -1 0 310.047 -0.764 20 0 DBADRM COC(=O)c1sccc1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000090262917 382336437 /nfs/dbraw/zinc/33/64/37/382336437.db2.gz HHCSXLXHQVLQKC-RXMQYKEDSA-N -1 0 309.321 -0.742 20 0 DBADRM O=C([O-])c1csc(CCNS(=O)(=O)N2CCOCC2)n1 ZINC000090942021 382340179 /nfs/dbraw/zinc/34/01/79/382340179.db2.gz FRFWKLJWCZKPCO-UHFFFAOYSA-N -1 0 321.380 -0.450 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1C ZINC000091294056 382342107 /nfs/dbraw/zinc/34/21/07/382342107.db2.gz MSAGVFZLEXJGMI-SECBINFHSA-N -1 0 303.340 -0.407 20 0 DBADRM O=C(NCCN1C(=O)c2ccccc2C1=O)c1n[nH]c(=O)[n-]1 ZINC000618857712 382369871 /nfs/dbraw/zinc/36/98/71/382369871.db2.gz PNCAAGSIOHKWDQ-UHFFFAOYSA-N -1 0 301.262 -0.464 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)C2(C(=O)[O-])CCC2)CC1 ZINC000400153393 382390240 /nfs/dbraw/zinc/39/02/40/382390240.db2.gz DXQRJWYSGMEPLC-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000400147667 382390461 /nfs/dbraw/zinc/39/04/61/382390461.db2.gz ZXZYZSJFDXOHPI-RKDXNWHRSA-N -1 0 307.372 -0.475 20 0 DBADRM O=C(CN1CC(=O)NC1=O)N(CCN1CCOCC1)CC1CC1 ZINC000619889886 382431786 /nfs/dbraw/zinc/43/17/86/382431786.db2.gz LEAJRTKYPDLDML-UHFFFAOYSA-N -1 0 324.381 -0.891 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000620050919 382436781 /nfs/dbraw/zinc/43/67/81/382436781.db2.gz XOOXSANJWUKBSF-UHFFFAOYSA-N -1 0 315.351 -0.817 20 0 DBADRM CSC[C@](C)(O)CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000230134549 382406407 /nfs/dbraw/zinc/40/64/07/382406407.db2.gz ZCAGWIIRFVERGV-SECBINFHSA-N -1 0 300.402 -0.659 20 0 DBADRM CN1CC[C@H](C(=O)N2CCCCC[C@H]2C(=O)[O-])S1(=O)=O ZINC000621570348 382489718 /nfs/dbraw/zinc/48/97/18/382489718.db2.gz URBVHCMPFYJKBB-VHSXEESVSA-N -1 0 304.368 -0.124 20 0 DBADRM O=C([O-])CC1(CNC(=O)CN2CSCC2=O)CCOCC1 ZINC000621593080 382492000 /nfs/dbraw/zinc/49/20/00/382492000.db2.gz IBDBNKNIEIKUDS-UHFFFAOYSA-N -1 0 316.379 -0.093 20 0 DBADRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)N1CCS(=O)(=O)CC1 ZINC000312712753 382508568 /nfs/dbraw/zinc/50/85/68/382508568.db2.gz TVBMVGBCROPMQA-ZCFIWIBFSA-N -1 0 318.273 -0.168 20 0 DBADRM O=C([O-])C1CN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000621830301 382510949 /nfs/dbraw/zinc/51/09/49/382510949.db2.gz BJNCGAJMUQAGMK-SSDOTTSWSA-N -1 0 309.244 -0.124 20 0 DBADRM Cn1ccc(N2CCC[C@H](NC(=O)N3CC(C(=O)[O-])C3)C2=O)n1 ZINC000621831298 382511347 /nfs/dbraw/zinc/51/13/47/382511347.db2.gz ZHYBJBASVSARPT-JTQLQIEISA-N -1 0 321.337 -0.359 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)N1CC(C(=O)[O-])C1)CC2 ZINC000621831519 382512970 /nfs/dbraw/zinc/51/29/70/382512970.db2.gz ITVIWHYLBNKUQB-VIFPVBQESA-N -1 0 309.326 -0.535 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000621871262 382518019 /nfs/dbraw/zinc/51/80/19/382518019.db2.gz GNCDTLKUUGKAMA-JTQLQIEISA-N -1 0 305.338 -0.527 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)c1c[n-]n2c1nccc2=O ZINC000621856050 382518847 /nfs/dbraw/zinc/51/88/47/382518847.db2.gz FFOVJUKNITTXFK-JTQLQIEISA-N -1 0 305.338 -0.527 20 0 DBADRM Cc1ccc([C@H](CNC(=O)c2n[nH]c(=O)[n-]2)N2CCOCC2)o1 ZINC000079621427 382540553 /nfs/dbraw/zinc/54/05/53/382540553.db2.gz HFJCGUFOGQQEBR-JTQLQIEISA-N -1 0 321.337 -0.197 20 0 DBADRM O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1n[nH]c(=O)[n-]1 ZINC000079622314 382540681 /nfs/dbraw/zinc/54/06/81/382540681.db2.gz CRVHUIDRRBCUHB-LBPRGKRZSA-N -1 0 317.349 -0.099 20 0 DBADRM O=C(NCCn1ncnn1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000622436029 382566409 /nfs/dbraw/zinc/56/64/09/382566409.db2.gz GJGODGAQGXCPHA-UHFFFAOYSA-N -1 0 301.266 -0.554 20 0 DBADRM CC(C)NC(=O)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000622503287 382568998 /nfs/dbraw/zinc/56/89/98/382568998.db2.gz KMMCABZWYIAAQE-UHFFFAOYSA-N -1 0 315.351 -0.706 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCC(N)=O)cn1 ZINC000624103715 382599699 /nfs/dbraw/zinc/59/96/99/382599699.db2.gz LKVLPWDREFYDAE-UHFFFAOYSA-N -1 0 300.340 -0.552 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=N[C@H]2CCCNC2=O)cc1 ZINC000631083882 382641005 /nfs/dbraw/zinc/64/10/05/382641005.db2.gz SRIUULZNGNVZOC-LBPRGKRZSA-N -1 0 302.338 -0.158 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CCO1 ZINC000133366168 382642805 /nfs/dbraw/zinc/64/28/05/382642805.db2.gz DMKWGWAQFNWQPM-ZJUUUORDSA-N -1 0 302.327 -0.073 20 0 DBADRM COC[C@H](O)CCN=c1nn[n-]n1Cc1ccc(OC)cc1 ZINC000631186951 382646525 /nfs/dbraw/zinc/64/65/25/382646525.db2.gz WLWKBEJEECGHTN-GFCCVEGCSA-N -1 0 307.354 -0.039 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NC[C@@H]2CNC(=O)C2)cc1 ZINC000631299913 382647099 /nfs/dbraw/zinc/64/70/99/382647099.db2.gz TYIYJEZKUYMPLI-NSHDSACASA-N -1 0 302.338 -0.300 20 0 DBADRM O=C(N1CCC[C@@H](c2nnn[n-]2)C1)C1(N2CCOCC2)CC1 ZINC000632054428 382660596 /nfs/dbraw/zinc/66/05/96/382660596.db2.gz WTZFSUMXHIVVKF-LLVKDONJSA-N -1 0 306.370 -0.230 20 0 DBADRM COC1(CS(=O)(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CCC1 ZINC000632188803 382663459 /nfs/dbraw/zinc/66/34/59/382663459.db2.gz UWFMGKQBEIHIFE-SECBINFHSA-N -1 0 317.367 -0.879 20 0 DBADRM O=C1CN(CCNS(=O)(=O)c2cc([O-])cc(F)c2)CCN1 ZINC000632196847 382663719 /nfs/dbraw/zinc/66/37/19/382663719.db2.gz ICGQMQFSQLOCLG-UHFFFAOYSA-N -1 0 317.342 -0.759 20 0 DBADRM C[C@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)c1ncc[n-]1 ZINC000632331633 382667696 /nfs/dbraw/zinc/66/76/96/382667696.db2.gz QKWWRZJBTMMMDI-QWRGUYRKSA-N -1 0 300.384 -0.107 20 0 DBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)c1ncc[n-]1 ZINC000632331632 382667726 /nfs/dbraw/zinc/66/77/26/382667726.db2.gz QKWWRZJBTMMMDI-MNOVXSKESA-N -1 0 300.384 -0.107 20 0 DBADRM O=S(=O)(c1cc([O-])cc(F)c1)N1CC[C@@H](O)[C@H](CO)C1 ZINC000632461028 382671234 /nfs/dbraw/zinc/67/12/34/382671234.db2.gz JMEJGZOIUQFWRD-QPUJVOFHSA-N -1 0 305.327 -0.105 20 0 DBADRM CN(C)C1(CS(=O)(=O)N[C@H]2CS(=O)(=O)C2(C)C)CC1 ZINC000632495504 382671963 /nfs/dbraw/zinc/67/19/63/382671963.db2.gz VZZUVUHKDHKHOX-VIFPVBQESA-N -1 0 310.441 -0.424 20 0 DBADRM C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ncc[n-]1)CCO2 ZINC000632503364 382672128 /nfs/dbraw/zinc/67/21/28/382672128.db2.gz BPHABMSMRGQODL-UHFFFAOYSA-N -1 0 300.384 -0.105 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000633051577 382680520 /nfs/dbraw/zinc/68/05/20/382680520.db2.gz XOZLJEVFQSGJFP-UHFFFAOYSA-N -1 0 306.248 -0.635 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CC(F)F)C1 ZINC000633064124 382680668 /nfs/dbraw/zinc/68/06/68/382680668.db2.gz SDNVDHFQCFFDIF-LBPRGKRZSA-N -1 0 308.281 -0.340 20 0 DBADRM CC1(C)CN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC[C@H]1O ZINC000633072775 382680933 /nfs/dbraw/zinc/68/09/33/382680933.db2.gz OCOZEZVRVXZXOJ-WDEREUQCSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C[C@H](C)N1C ZINC000633071996 382680978 /nfs/dbraw/zinc/68/09/78/382680978.db2.gz HLLVPZYDZLVVBT-TUAOUCFPSA-N -1 0 311.382 -0.139 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](F)C2)C1 ZINC000633073616 382681272 /nfs/dbraw/zinc/68/12/72/382681272.db2.gz WOPBHMKGAHGOQA-ZANVPECISA-N -1 0 302.302 -0.494 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC(=O)N1 ZINC000627633855 382638943 /nfs/dbraw/zinc/63/89/43/382638943.db2.gz UHPNZMBMTNIGNZ-QMMMGPOBSA-N -1 0 312.351 -0.586 20 0 DBADRM C[C@H](Sc1n[nH]c(=O)[n-]1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000331176028 299580392 /nfs/dbraw/zinc/58/03/92/299580392.db2.gz PRTBIKKEASIBNQ-BQBZGAKWSA-N -1 0 320.396 -0.364 20 0 DBADRM CN(C[C@@H](O)CO)C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000355620409 220627771 /nfs/dbraw/zinc/62/77/71/220627771.db2.gz RLQUKRBGXPEONJ-SECBINFHSA-N -1 0 302.352 -0.517 20 0 DBADRM C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000362003196 220794957 /nfs/dbraw/zinc/79/49/57/220794957.db2.gz UOIKRNAZFFHVGQ-QMMMGPOBSA-N -1 0 317.367 -0.132 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CCOC1 ZINC000447174619 533634651 /nfs/dbraw/zinc/63/46/51/533634651.db2.gz JWRGJKNGYQAHNW-FOGDFJRCSA-N -1 0 322.383 -0.738 20 0 DBADRM NS(=O)(=O)N1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000272564860 130041629 /nfs/dbraw/zinc/04/16/29/130041629.db2.gz AZLHEIWAJGUXDO-UHFFFAOYSA-N -1 0 321.305 -0.368 20 0 DBADRM COCCn1cc(S(=O)(=O)[N-]c2nc(OC)n[nH]2)cn1 ZINC000272783549 130063902 /nfs/dbraw/zinc/06/39/02/130063902.db2.gz CBJFCTRDZWIJOU-UHFFFAOYSA-N -1 0 302.316 -0.543 20 0 DBADRM Cc1cc(C(=O)N[C@]2(CO)CCOC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000273616607 130145527 /nfs/dbraw/zinc/14/55/27/130145527.db2.gz XLLKLRWVHADHMT-AWEZNQCLSA-N -1 0 320.305 -0.374 20 0 DBADRM O=C(CNC(=O)c1cccc(O)c1)NCCCN1CCOCC1 ZINC000274441736 130235228 /nfs/dbraw/zinc/23/52/28/130235228.db2.gz HOFBRIBGHMVIOF-UHFFFAOYSA-N -1 0 321.377 -0.040 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN(c2ccccn2)CC1 ZINC000274877268 130268550 /nfs/dbraw/zinc/26/85/50/130268550.db2.gz GZIUWJOAGHPIIV-UHFFFAOYSA-N -1 0 320.378 -0.066 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@@H](C)C(=O)[O-] ZINC000274905509 130271684 /nfs/dbraw/zinc/27/16/84/130271684.db2.gz JGTGFFNBGGYWCF-ZCFIWIBFSA-N -1 0 305.312 -0.415 20 0 DBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1cccc2c1OCCO2 ZINC000274894981 130272017 /nfs/dbraw/zinc/27/20/17/130272017.db2.gz GUFQJWJVIWMGFK-MRVPVSSYSA-N -1 0 317.319 -0.428 20 0 DBADRM COC(=O)c1c(F)cccc1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000274920509 130273114 /nfs/dbraw/zinc/27/31/14/130273114.db2.gz MTNCWBQTLRUUMU-ZETCQYMHSA-N -1 0 321.282 -0.664 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000274908246 130273174 /nfs/dbraw/zinc/27/31/74/130273174.db2.gz JUXDTJFVJPRDLK-JTQLQIEISA-N -1 0 301.320 -0.265 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])ccc1F ZINC000274910984 130273626 /nfs/dbraw/zinc/27/36/26/130273626.db2.gz KOLMKAUKNBXYAW-SECBINFHSA-N -1 0 304.299 -0.259 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)Cc1c(F)cccc1F)C(=O)[O-] ZINC000274912823 130273881 /nfs/dbraw/zinc/27/38/81/130273881.db2.gz LDSZFRNZJPMXTI-VIFPVBQESA-N -1 0 322.289 -0.287 20 0 DBADRM CCOc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)cn1 ZINC000274924010 130274523 /nfs/dbraw/zinc/27/45/23/130274523.db2.gz NMXBQJKSTKEJAL-XVKPBYJWSA-N -1 0 304.324 -0.407 20 0 DBADRM CCOC(=O)c1cccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000274923937 130275667 /nfs/dbraw/zinc/27/56/67/130275667.db2.gz NKLZUOAYWVANIE-JTQLQIEISA-N -1 0 317.319 -0.413 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@H](O)Cc1ccccc1 ZINC000275000934 130283263 /nfs/dbraw/zinc/28/32/63/130283263.db2.gz UMRXMIKETIKZFE-SNVBAGLBSA-N -1 0 308.363 -0.090 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)[C@H]1CCOC1)C(=O)[O-] ZINC000275026374 130284517 /nfs/dbraw/zinc/28/45/17/130284517.db2.gz DZRNIEPCOQDWTO-GXSJLCMTSA-N -1 0 317.367 -0.129 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-] ZINC000275055096 130287100 /nfs/dbraw/zinc/28/71/00/130287100.db2.gz IYHUEFMGSPOQPC-QMMMGPOBSA-N -1 0 315.307 -0.009 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)[O-] ZINC000275057800 130287794 /nfs/dbraw/zinc/28/77/94/130287794.db2.gz UFKTXFDRCLDRKT-APPZFPTMSA-N -1 0 309.340 -0.463 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)NCCSCC(=O)[O-])c1 ZINC000275059901 130287874 /nfs/dbraw/zinc/28/78/74/130287874.db2.gz UMWBMAVEOLTFPO-UHFFFAOYSA-N -1 0 318.376 -0.118 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)cn1 ZINC000275077520 130289306 /nfs/dbraw/zinc/28/93/06/130289306.db2.gz XXMLCBNAHMKLOD-NXEZZACHSA-N -1 0 315.351 -0.163 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000275108391 130291613 /nfs/dbraw/zinc/29/16/13/130291613.db2.gz ROXPPURLYFIQPM-QMMMGPOBSA-N -1 0 321.742 -0.268 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])c1 ZINC000275274272 130300756 /nfs/dbraw/zinc/30/07/56/130300756.db2.gz NMIXKDGTXHJVDR-SECBINFHSA-N -1 0 313.339 -0.872 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1cccc(N)c1)C(=O)[O-] ZINC000275303234 130302143 /nfs/dbraw/zinc/30/21/43/130302143.db2.gz QSHBLEYFUGTQQA-VIFPVBQESA-N -1 0 302.308 -0.437 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])c[nH]1 ZINC000275319152 130303787 /nfs/dbraw/zinc/30/37/87/130303787.db2.gz SCDUONHPGOEJBC-SECBINFHSA-N -1 0 313.339 -0.574 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1C ZINC000275330960 130306556 /nfs/dbraw/zinc/30/65/56/130306556.db2.gz QLXKFDCWYUZSJK-ZJUUUORDSA-N -1 0 317.367 -0.272 20 0 DBADRM COc1ccsc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000275346442 130307460 /nfs/dbraw/zinc/30/74/60/130307460.db2.gz SJRRBCXFVNRCOF-RQJHMYQMSA-N -1 0 307.349 -0.035 20 0 DBADRM O=C([O-])CN(Cc1ccccn1)S(=O)(=O)N1CCOCC1 ZINC000275371220 130309883 /nfs/dbraw/zinc/30/98/83/130309883.db2.gz WIUVFPHBSNNWTI-UHFFFAOYSA-N -1 0 315.351 -0.455 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])cn1 ZINC000275595757 130345930 /nfs/dbraw/zinc/34/59/30/130345930.db2.gz IRYDGGVSTVSDLV-NSHDSACASA-N -1 0 305.356 -0.345 20 0 DBADRM COC[C@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H](C)O1 ZINC000276080306 130436757 /nfs/dbraw/zinc/43/67/57/130436757.db2.gz UUZUTWYLKLRQTG-JGVFFNPUSA-N -1 0 302.356 -0.548 20 0 DBADRM Cc1c(/C=C/C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cnn1C ZINC000178877955 391938075 /nfs/dbraw/zinc/93/80/75/391938075.db2.gz GKICBRMVSZDKCT-SNAWJCMRSA-N -1 0 309.351 -0.020 20 0 DBADRM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)NCC(C)C ZINC000505418831 391909945 /nfs/dbraw/zinc/90/99/45/391909945.db2.gz CGKAXROOQLSERW-MNOVXSKESA-N -1 0 315.395 -0.220 20 0 DBADRM Cc1nn2c(SCC(=O)c3cnnn3C)n[n-]c2nc1=O ZINC000505518264 391910363 /nfs/dbraw/zinc/91/03/63/391910363.db2.gz AYPAHNHFHSUKTJ-UHFFFAOYSA-N -1 0 306.311 -0.775 20 0 DBADRM NC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC000507422282 391913614 /nfs/dbraw/zinc/91/36/14/391913614.db2.gz HSJLIPSTNINEHM-WDEREUQCSA-N -1 0 319.317 -0.049 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC000507397371 391913846 /nfs/dbraw/zinc/91/38/46/391913846.db2.gz AQXULTRFANNLOI-UWVGGRQHSA-N -1 0 304.368 -0.409 20 0 DBADRM NC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])cc1 ZINC000507422279 391913865 /nfs/dbraw/zinc/91/38/65/391913865.db2.gz HSJLIPSTNINEHM-QWRGUYRKSA-N -1 0 319.317 -0.049 20 0 DBADRM O=C(CCNC(=O)c1ccc2oc(=O)nc-2[n-]1)N1CCOCC1 ZINC000646622996 391918928 /nfs/dbraw/zinc/91/89/28/391918928.db2.gz SGQITHVGUXKJPW-UHFFFAOYSA-N -1 0 320.305 -0.093 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N[C@@H](CC2CC2)C(=O)[O-])C1 ZINC000400215993 391987902 /nfs/dbraw/zinc/98/79/02/391987902.db2.gz WVYGXAWABZZOAN-ZJUUUORDSA-N -1 0 319.383 -0.427 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000400325998 391988434 /nfs/dbraw/zinc/98/84/34/391988434.db2.gz ZVDUDHYQCLSFEA-BXKDBHETSA-N -1 0 319.383 -0.474 20 0 DBADRM CC(C)[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)N1CCCC1 ZINC000649042781 392004283 /nfs/dbraw/zinc/00/42/83/392004283.db2.gz JLDKCEGFUJLTHL-QMMMGPOBSA-N -1 0 309.326 -0.340 20 0 DBADRM CN(C)S(=O)(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-] ZINC000234229379 391971370 /nfs/dbraw/zinc/97/13/70/391971370.db2.gz AZSMGCJCGIWIIW-MRVPVSSYSA-N -1 0 310.372 -0.043 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccnc(Cl)c1 ZINC000277636701 130629208 /nfs/dbraw/zinc/62/92/08/130629208.db2.gz NGRWXXCNUWUXSM-UHFFFAOYSA-N -1 0 305.743 -0.069 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000649453139 392073513 /nfs/dbraw/zinc/07/35/13/392073513.db2.gz DFCILTLRIPVOCB-SGIHWFKDSA-N -1 0 304.368 -0.459 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000649457208 392074149 /nfs/dbraw/zinc/07/41/49/392074149.db2.gz SJFXQYDPKDSVHH-UHFFFAOYSA-N -1 0 324.337 -0.209 20 0 DBADRM CC(=O)N1CCN(C(=O)CCNC(=O)C(C)(C)C(=O)[O-])CC1 ZINC000649454922 392074228 /nfs/dbraw/zinc/07/42/28/392074228.db2.gz JUKPHHUFADSTRL-UHFFFAOYSA-N -1 0 313.354 -0.706 20 0 DBADRM Cn1ccnc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)c1=O ZINC000649461534 392074978 /nfs/dbraw/zinc/07/49/78/392074978.db2.gz IRBRLLLRCRTFHI-NXEZZACHSA-N -1 0 306.322 -0.850 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000554429683 392093674 /nfs/dbraw/zinc/09/36/74/392093674.db2.gz IELANHDEFMKLTR-JTQLQIEISA-N -1 0 313.339 -0.434 20 0 DBADRM CN(CCCNC(=O)N[C@@H](CCF)C(=O)[O-])S(C)(=O)=O ZINC000649523120 392086720 /nfs/dbraw/zinc/08/67/20/392086720.db2.gz FRPADQHLHKNPRL-QMMMGPOBSA-N -1 0 313.351 -0.620 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N[C@@H](CCF)C(=O)[O-])CC1 ZINC000649526078 392087928 /nfs/dbraw/zinc/08/79/28/392087928.db2.gz AVCYZPZQPRNSOZ-QMMMGPOBSA-N -1 0 310.347 -0.077 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)[O-])C2CC2)cc1 ZINC000553935468 392089798 /nfs/dbraw/zinc/08/97/98/392089798.db2.gz CWMHPCFEGATOMT-GFCCVEGCSA-N -1 0 312.347 -0.144 20 0 DBADRM Cn1ccnc1-c1cc(=NC(=O)[C@@H]2CCN(C)S2(=O)=O)[nH][n-]1 ZINC000649214698 392019453 /nfs/dbraw/zinc/01/94/53/392019453.db2.gz RVSMJYSAEHJUCB-VIFPVBQESA-N -1 0 324.366 -0.796 20 0 DBADRM CN1CC[C@H](C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])S1(=O)=O ZINC000649249999 392023411 /nfs/dbraw/zinc/02/34/11/392023411.db2.gz YVWDLYRNVXXWIC-MMWGEVLESA-N -1 0 316.379 -0.268 20 0 DBADRM CN1CC[C@H](C(=O)N(CCC(=O)[O-])CC2CC2)S1(=O)=O ZINC000649244300 392023506 /nfs/dbraw/zinc/02/35/06/392023506.db2.gz YNNKZXZOOGWLKC-SNVBAGLBSA-N -1 0 304.368 -0.266 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)S1(=O)=O ZINC000649240194 392023559 /nfs/dbraw/zinc/02/35/59/392023559.db2.gz QAVIZBSQESGXFN-ZJUUUORDSA-N -1 0 316.379 -0.266 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)C2(C(=O)[O-])CCOCC2)C1=O ZINC000649243706 392023563 /nfs/dbraw/zinc/02/35/63/392023563.db2.gz GCVOGFVESMLJNA-VIFPVBQESA-N -1 0 312.322 -0.480 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@]2(C(=O)[O-])CCSC2)S1(=O)=O ZINC000649246118 392023578 /nfs/dbraw/zinc/02/35/78/392023578.db2.gz OHTSODYIAPZGJL-OIBJUYFYSA-N -1 0 308.381 -0.903 20 0 DBADRM CC[C@H](CNC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-] ZINC000649262350 392024220 /nfs/dbraw/zinc/02/42/20/392024220.db2.gz FAPPYACPYSUQIZ-SNVBAGLBSA-N -1 0 301.343 -0.754 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)S1(=O)=O ZINC000649251729 392024331 /nfs/dbraw/zinc/02/43/31/392024331.db2.gz PVWLCOALHVQJIC-JOYOIKCWSA-N -1 0 304.368 -0.266 20 0 DBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000649250936 392025244 /nfs/dbraw/zinc/02/52/44/392025244.db2.gz CTYHLWVJTWAJQE-OPRDCNLKSA-N -1 0 320.367 -0.889 20 0 DBADRM CN1CC[C@H](C(=O)N2CCC[C@](C)(C(=O)[O-])C2)S1(=O)=O ZINC000649251730 392025352 /nfs/dbraw/zinc/02/53/52/392025352.db2.gz PVWLCOALHVQJIC-SKDRFNHKSA-N -1 0 304.368 -0.266 20 0 DBADRM Cn1nnnc1SCCC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000551925661 392054563 /nfs/dbraw/zinc/05/45/63/392054563.db2.gz YIKVPKCAAVGNIJ-QMMMGPOBSA-N -1 0 323.386 -0.388 20 0 DBADRM COC(=O)c1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)o1 ZINC000278562202 130701762 /nfs/dbraw/zinc/70/17/62/130701762.db2.gz HRQWXUUUBNWUBI-UHFFFAOYSA-N -1 0 318.307 -0.738 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000649362044 392058928 /nfs/dbraw/zinc/05/89/28/392058928.db2.gz IGVVTMSIIPWWNI-NSHDSACASA-N -1 0 318.326 -0.041 20 0 DBADRM O=C([O-])/C=C/CNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000278602340 130705757 /nfs/dbraw/zinc/70/57/57/130705757.db2.gz FZHJUVIRVCDWQC-VWCDRPFISA-N -1 0 301.324 -0.236 20 0 DBADRM COc1nc(NCC(C)(C)NS(C)(=O)=O)ccc1C(=O)[O-] ZINC000649389425 392062425 /nfs/dbraw/zinc/06/24/25/392062425.db2.gz MBHAMOUYAMNLOB-UHFFFAOYSA-N -1 0 317.367 -0.050 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)CCOC(F)(F)F)C(=O)[O-] ZINC000555218758 392106227 /nfs/dbraw/zinc/10/62/27/392106227.db2.gz CYNXQNFHHDEHDY-ZCFIWIBFSA-N -1 0 309.262 -0.068 20 0 DBADRM CC[C@H](NC(=O)NCCCN(C)S(=O)(=O)CC)C(=O)[O-] ZINC000572552658 392108163 /nfs/dbraw/zinc/10/81/63/392108163.db2.gz BMKSRXJSZGKJHD-VIFPVBQESA-N -1 0 309.388 -0.180 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CC(=O)N(C)C1 ZINC000274159591 392122714 /nfs/dbraw/zinc/12/27/14/392122714.db2.gz MIOKSHZPAJFAAB-LURJTMIESA-N -1 0 319.364 -0.561 20 0 DBADRM NC(=O)COCCNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000273681216 392123037 /nfs/dbraw/zinc/12/30/37/392123037.db2.gz HLAQXEZDDXOEMB-UHFFFAOYSA-N -1 0 320.298 -0.696 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C(=O)[O-] ZINC000581370491 392130363 /nfs/dbraw/zinc/13/03/63/392130363.db2.gz XCTRXTZWWBTXQW-LPEHRKFASA-N -1 0 317.367 -0.020 20 0 DBADRM CCCN(C)S(=O)(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000282230880 130908591 /nfs/dbraw/zinc/90/85/91/130908591.db2.gz RXDIXKMMDWADDT-UHFFFAOYSA-N -1 0 312.355 -0.046 20 0 DBADRM Cc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc(=O)[nH]1 ZINC000282394825 130919378 /nfs/dbraw/zinc/91/93/78/130919378.db2.gz ZRLNPWNSWBCBRF-UHFFFAOYSA-N -1 0 301.324 -0.709 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000283581661 131005605 /nfs/dbraw/zinc/00/56/05/131005605.db2.gz RFAIOFFRPJGQPS-UHFFFAOYSA-N -1 0 312.351 -0.050 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000340181493 131012735 /nfs/dbraw/zinc/01/27/35/131012735.db2.gz TVYCHPROZOECSE-UHFFFAOYSA-N -1 0 307.349 -0.205 20 0 DBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cnn(C)n1 ZINC000284224940 131060765 /nfs/dbraw/zinc/06/07/65/131060765.db2.gz DOXMCVOJPYEVMH-UHFFFAOYSA-N -1 0 301.310 -0.302 20 0 DBADRM CN(C[C@@H]1CCOC1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000399641589 392354722 /nfs/dbraw/zinc/35/47/22/392354722.db2.gz XSURUIFMQLDCDZ-QWRGUYRKSA-N -1 0 306.384 -0.004 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCc1cccc(C(N)=O)c1 ZINC000284303724 131068620 /nfs/dbraw/zinc/06/86/20/131068620.db2.gz PTHJCZIXRVWKGS-UHFFFAOYSA-N -1 0 311.363 -0.188 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)[O-] ZINC000284975891 131127675 /nfs/dbraw/zinc/12/76/75/131127675.db2.gz FQTXIINIZAXOIH-MRVPVSSYSA-N -1 0 319.339 -0.587 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000037406228 392373783 /nfs/dbraw/zinc/37/37/83/392373783.db2.gz HUDUNMLOJMNVSK-VIFPVBQESA-N -1 0 322.289 -0.038 20 0 DBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1 ZINC000037418232 392374176 /nfs/dbraw/zinc/37/41/76/392374176.db2.gz OWKAQISBXUNNLD-UHFFFAOYSA-N -1 0 322.364 -0.652 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](C)CC(=O)[O-])CC1 ZINC000037465482 392375211 /nfs/dbraw/zinc/37/52/11/392375211.db2.gz AAJJNMTVMYDGNW-QMMMGPOBSA-N -1 0 308.356 -0.431 20 0 DBADRM CC[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@@H](C)[S@]1=O ZINC000286425399 131235823 /nfs/dbraw/zinc/23/58/23/131235823.db2.gz BKZYGECLXHUAJT-SEJYDQARSA-N -1 0 318.424 -0.052 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000286998786 131259495 /nfs/dbraw/zinc/25/94/95/131259495.db2.gz MSKANESWTKDSEU-VIFPVBQESA-N -1 0 303.384 -0.477 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)cn1 ZINC000340246286 131260455 /nfs/dbraw/zinc/26/04/55/131260455.db2.gz VRFSQYZAYXBDOL-UHFFFAOYSA-N -1 0 324.362 -0.057 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000037792611 392378054 /nfs/dbraw/zinc/37/80/54/392378054.db2.gz NOLRYEQECBPYTR-UWVGGRQHSA-N -1 0 304.368 -0.363 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCCc1cnn(C)c1 ZINC000288532635 131329642 /nfs/dbraw/zinc/32/96/42/131329642.db2.gz RWVZLUJWAVFROW-UHFFFAOYSA-N -1 0 300.384 -0.120 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)C(=O)[N-]OCCSC ZINC000288998702 131350976 /nfs/dbraw/zinc/35/09/76/131350976.db2.gz MFJBWHASEFRXDG-UHFFFAOYSA-N -1 0 305.400 -0.324 20 0 DBADRM CN(C)c1noc(CN2[N-]S(=O)(=O)c3ccccc3C2=O)n1 ZINC000289339996 131376087 /nfs/dbraw/zinc/37/60/87/131376087.db2.gz FSCMCHQWBJXXKY-UHFFFAOYSA-N -1 0 323.334 -0.015 20 0 DBADRM CNS(=O)(=O)c1cccc(CNC(=O)[C@@H](C)C(=O)[O-])c1 ZINC000647117106 392421836 /nfs/dbraw/zinc/42/18/36/392421836.db2.gz OSUMKHXFYXQDSZ-MRVPVSSYSA-N -1 0 300.336 -0.068 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000092494256 392455519 /nfs/dbraw/zinc/45/55/19/392455519.db2.gz FCAURHFOMSAJRF-VIFPVBQESA-N -1 0 308.356 -0.742 20 0 DBADRM COCC[C@H](C)S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000560459855 392521942 /nfs/dbraw/zinc/52/19/42/392521942.db2.gz KCSCRGSIGLCGCX-QMMMGPOBSA-N -1 0 306.344 -0.679 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647262120 392525565 /nfs/dbraw/zinc/52/55/65/392525565.db2.gz BWNLPRFSPARWLD-VHSXEESVSA-N -1 0 322.383 -0.688 20 0 DBADRM CN(C)c1cccnc1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000290537829 131496721 /nfs/dbraw/zinc/49/67/21/131496721.db2.gz LHBQKMQRYPJBGW-UHFFFAOYSA-N -1 0 303.322 -0.123 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C(=O)[O-])co1 ZINC000647217341 392484131 /nfs/dbraw/zinc/48/41/31/392484131.db2.gz MQPYODLCPVALEA-QMMMGPOBSA-N -1 0 302.308 -0.123 20 0 DBADRM CC(C)CCC(=O)NCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000370854410 392507311 /nfs/dbraw/zinc/50/73/11/392507311.db2.gz YISUTOUPOFVVHT-SNVBAGLBSA-N -1 0 310.358 -0.348 20 0 DBADRM CCCC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000370863457 392508905 /nfs/dbraw/zinc/50/89/05/392508905.db2.gz WBDXZADANIIFTC-MNOVXSKESA-N -1 0 322.369 -0.109 20 0 DBADRM CNC(=O)[C@H]1CCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037838930 392515060 /nfs/dbraw/zinc/51/50/60/392515060.db2.gz ASRUTIRBKYOGMO-SECBINFHSA-N -1 0 301.324 -0.388 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000427757320 392554510 /nfs/dbraw/zinc/55/45/10/392554510.db2.gz HXAXPVUQAZMBAM-LURJTMIESA-N -1 0 306.278 -0.373 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1c[nH]nc1C)C(=O)[O-] ZINC000168812477 392568149 /nfs/dbraw/zinc/56/81/49/392568149.db2.gz QRMSXPPNWJXGQJ-SSDOTTSWSA-N -1 0 305.312 -0.597 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000168815087 392570693 /nfs/dbraw/zinc/57/06/93/392570693.db2.gz TXOWRKICZCWEAW-QMMMGPOBSA-N -1 0 319.339 -0.587 20 0 DBADRM CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000443521622 392572737 /nfs/dbraw/zinc/57/27/37/392572737.db2.gz JLXJCSBVMCPLFB-POYBYMJQSA-N -1 0 305.360 -0.910 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CN1CCCS1(=O)=O ZINC000643849212 392573660 /nfs/dbraw/zinc/57/36/60/392573660.db2.gz WMHRLTQIMBCETO-GFCCVEGCSA-N -1 0 320.367 -0.886 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000643879451 392581193 /nfs/dbraw/zinc/58/11/93/392581193.db2.gz SLPPKQNTYWPGRP-HZMBPMFUSA-N -1 0 315.370 -0.855 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cnn(C)c2)C[C@H]1C(=O)[O-] ZINC000647500821 392616966 /nfs/dbraw/zinc/61/69/66/392616966.db2.gz LKQNFRWDZOWFCP-ZYHUDNBSSA-N -1 0 322.365 -0.052 20 0 DBADRM CC1(C(=O)[O-])CCN(c2ccc(C(=O)NCCO)nn2)CC1 ZINC000647457376 392590122 /nfs/dbraw/zinc/59/01/22/392590122.db2.gz FYWPTRDRVFORBJ-UHFFFAOYSA-N -1 0 308.338 -0.110 20 0 DBADRM O=C([O-])c1ccc(N2CCN(C(=O)C(=O)NC3CC3)CC2)nc1 ZINC000647448595 392590217 /nfs/dbraw/zinc/59/02/17/392590217.db2.gz RMLUAFYZPFQTNI-UHFFFAOYSA-N -1 0 318.333 -0.293 20 0 DBADRM C[C@H](O)CNc1cc(NCC2(C(=O)[O-])CCOCC2)ncn1 ZINC000647457846 392590665 /nfs/dbraw/zinc/59/06/65/392590665.db2.gz CHEXJXOJTWDBFN-JTQLQIEISA-N -1 0 310.354 -0.016 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C[C@H](CO)O1 ZINC000647481803 392591610 /nfs/dbraw/zinc/59/16/10/392591610.db2.gz PEUBVXLNRQKWAM-BXKDBHETSA-N -1 0 322.317 -0.069 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC000647488044 392596228 /nfs/dbraw/zinc/59/62/28/392596228.db2.gz RSKOBPLZFZKTRR-JTQLQIEISA-N -1 0 323.305 -0.531 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc3n(n2)CCCC3)C1 ZINC000647491212 392597755 /nfs/dbraw/zinc/59/77/55/392597755.db2.gz IMNLCPLXIBIHPX-ZJUUUORDSA-N -1 0 320.349 -0.051 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000643971282 392603278 /nfs/dbraw/zinc/60/32/78/392603278.db2.gz HSTXVWBLLGRPNZ-BXKDBHETSA-N -1 0 322.383 -0.642 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000643971285 392603374 /nfs/dbraw/zinc/60/33/74/392603374.db2.gz HSTXVWBLLGRPNZ-SKDRFNHKSA-N -1 0 322.383 -0.642 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000643982595 392604582 /nfs/dbraw/zinc/60/45/82/392604582.db2.gz AMXNEYLHRVZIMD-UHFFFAOYSA-N -1 0 315.337 -0.835 20 0 DBADRM CCCN(C)S(=O)(=O)N1Cc2nncn2C[C@@H]1C(=O)[O-] ZINC000643972066 392604881 /nfs/dbraw/zinc/60/48/81/392604881.db2.gz JOJNVSVIFFMJCS-MRVPVSSYSA-N -1 0 303.344 -0.867 20 0 DBADRM C[C@@]1(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCCOC1 ZINC000424231247 392665357 /nfs/dbraw/zinc/66/53/57/392665357.db2.gz AYOZYKUUFLVFSM-JOYOIKCWSA-N -1 0 305.352 -0.487 20 0 DBADRM CCc1noc(C)c1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424256800 392666810 /nfs/dbraw/zinc/66/68/10/392666810.db2.gz MRWZIIIXFREDKS-SECBINFHSA-N -1 0 316.335 -0.131 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)n1cccn1 ZINC000424244459 392666857 /nfs/dbraw/zinc/66/68/57/392666857.db2.gz NXTQIFFALSQQCO-RKDXNWHRSA-N -1 0 301.324 -0.846 20 0 DBADRM Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1C ZINC000424255484 392667012 /nfs/dbraw/zinc/66/70/12/392667012.db2.gz ZNVZJUSPLAFLEA-JTQLQIEISA-N -1 0 300.336 -0.343 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3cc[nH]c3n2)CCS1(=O)=O ZINC000424255510 392667051 /nfs/dbraw/zinc/66/70/51/392667051.db2.gz ZRSADPRAQYYBCF-JTQLQIEISA-N -1 0 323.330 -0.113 20 0 DBADRM CCc1cnccc1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424249065 392667130 /nfs/dbraw/zinc/66/71/30/392667130.db2.gz STFOLBIUBMJPEE-NSHDSACASA-N -1 0 312.347 -0.032 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)COc2ccccc2)CCS1(=O)=O ZINC000424246605 392667366 /nfs/dbraw/zinc/66/73/66/392667366.db2.gz PUCBCAXDFYNDEB-NSHDSACASA-N -1 0 313.331 -0.224 20 0 DBADRM Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1C ZINC000424255485 392667421 /nfs/dbraw/zinc/66/74/21/392667421.db2.gz ZNVZJUSPLAFLEA-SNVBAGLBSA-N -1 0 300.336 -0.343 20 0 DBADRM CC1(C)OCC[C@H]1NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424399989 392668429 /nfs/dbraw/zinc/66/84/29/392668429.db2.gz SEUHCMAJLDKYOL-RKDXNWHRSA-N -1 0 320.367 -0.553 20 0 DBADRM C[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(C)(F)F ZINC000424395475 392668654 /nfs/dbraw/zinc/66/86/54/392668654.db2.gz ZXMMKKNJSLZKHH-BQBZGAKWSA-N -1 0 314.310 -0.077 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2ccco2)CCS1(=O)=O ZINC000424387689 392668663 /nfs/dbraw/zinc/66/86/63/392668663.db2.gz JDWZKAPDUZOTTH-VIFPVBQESA-N -1 0 302.308 -0.327 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCC[C@H]2F)CCS1(=O)=O ZINC000424394838 392668866 /nfs/dbraw/zinc/66/88/66/392668866.db2.gz DTTSEKVSWRUEAW-VGMNWLOBSA-N -1 0 308.331 -0.230 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCc2ccco2)CCS1(=O)=O ZINC000424382952 392668886 /nfs/dbraw/zinc/66/88/86/392668886.db2.gz CIMZYDGFYFDPEE-JTQLQIEISA-N -1 0 316.335 -0.285 20 0 DBADRM CCOc1cncc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424473306 392670035 /nfs/dbraw/zinc/67/00/35/392670035.db2.gz QLVVSHQOBPZMHT-MRVPVSSYSA-N -1 0 301.324 -0.437 20 0 DBADRM COC[C@H](C)CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424402993 392670250 /nfs/dbraw/zinc/67/02/50/392670250.db2.gz DWYJSHBWVNBAKL-RKDXNWHRSA-N -1 0 308.356 -0.838 20 0 DBADRM COC[C@H](C)CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424402990 392670420 /nfs/dbraw/zinc/67/04/20/392670420.db2.gz DWYJSHBWVNBAKL-BDAKNGLRSA-N -1 0 308.356 -0.838 20 0 DBADRM COc1cc(OC)nc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424477138 392670853 /nfs/dbraw/zinc/67/08/53/392670853.db2.gz VOIIOVROLXCOIQ-ZETCQYMHSA-N -1 0 317.323 -0.818 20 0 DBADRM CN(C[C@H]1CCCO1)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000170678707 392687984 /nfs/dbraw/zinc/68/79/84/392687984.db2.gz CYXJFBGXBHKNSX-SECBINFHSA-N -1 0 304.306 -0.138 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647503744 392620744 /nfs/dbraw/zinc/62/07/44/392620744.db2.gz GMLGUBOAUZCYLK-SNVBAGLBSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)NCC(=O)N2CCOCC2)CC[C@@H]1C(=O)[O-] ZINC000318822608 392621539 /nfs/dbraw/zinc/62/15/39/392621539.db2.gz YIOGCZKTLVACEM-QWRGUYRKSA-N -1 0 313.354 -0.403 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000647506541 392625537 /nfs/dbraw/zinc/62/55/37/392625537.db2.gz ODOCQVJXLIJXQG-ONGXEEELSA-N -1 0 313.354 -0.850 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000490936165 392632072 /nfs/dbraw/zinc/63/20/72/392632072.db2.gz NFHMSJGSZGVIMM-UHFFFAOYSA-N -1 0 319.343 -0.329 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCC1=O ZINC000647584155 392647900 /nfs/dbraw/zinc/64/79/00/392647900.db2.gz UXTHOKZJXKGOKR-IVZWLZJFSA-N -1 0 311.338 -0.907 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647582665 392648124 /nfs/dbraw/zinc/64/81/24/392648124.db2.gz NNXUVCFXVQKBSZ-LPEHRKFASA-N -1 0 309.326 -0.848 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)ncn1 ZINC000647584101 392648154 /nfs/dbraw/zinc/64/81/54/392648154.db2.gz RZMJKAQCBHNVHQ-BXKDBHETSA-N -1 0 320.349 -0.030 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000647590288 392649354 /nfs/dbraw/zinc/64/93/54/392649354.db2.gz FZXVNZKBJWNQJZ-GHMZBOCLSA-N -1 0 314.338 -0.626 20 0 DBADRM C[C@@H](CO)CCCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647588100 392649473 /nfs/dbraw/zinc/64/94/73/392649473.db2.gz FSNVKAGTEACMFC-OUAUKWLOSA-N -1 0 300.355 -0.119 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CO1 ZINC000647590299 392649502 /nfs/dbraw/zinc/64/95/02/392649502.db2.gz GFJKVLRQDUGRSH-ZJUUUORDSA-N -1 0 314.338 -0.722 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000647589996 392649605 /nfs/dbraw/zinc/64/96/05/392649605.db2.gz QGXVAWZLVBKCRX-UHFFFAOYSA-N -1 0 321.337 -0.894 20 0 DBADRM Cc1cccc2nc(CCNC(=O)C(=O)NCCC(=O)[O-])cn21 ZINC000647593508 392650802 /nfs/dbraw/zinc/65/08/02/392650802.db2.gz SSIOWUGHKRICQY-UHFFFAOYSA-N -1 0 318.333 -0.108 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](CF)C2)C1 ZINC000647593495 392650829 /nfs/dbraw/zinc/65/08/29/392650829.db2.gz SBEGGVYVMQFCIJ-KXUCPTDWSA-N -1 0 302.302 -0.447 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)C1 ZINC000647591939 392650940 /nfs/dbraw/zinc/65/09/40/392650940.db2.gz PFGDQIJSNDSKPS-GRYCIOLGSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@H]1c2nncn2CCN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647592859 392651003 /nfs/dbraw/zinc/65/10/03/392651003.db2.gz SJCNIOHOMKCDJG-LPEHRKFASA-N -1 0 321.337 -0.449 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC([C@@H]3CCOC3)C2)C1 ZINC000647592744 392651074 /nfs/dbraw/zinc/65/10/74/392651074.db2.gz OQJBCFKJSFULAE-FOGDFJRCSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC([C@H]3CCOC3)C2)C1 ZINC000647592745 392651174 /nfs/dbraw/zinc/65/11/74/392651174.db2.gz OQJBCFKJSFULAE-SCVCMEIPSA-N -1 0 310.350 -0.149 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H](O)C(N)=O ZINC000647625789 392656269 /nfs/dbraw/zinc/65/62/69/392656269.db2.gz ATKCFECGJBOASP-JTQLQIEISA-N -1 0 315.351 -0.976 20 0 DBADRM CN(C)S(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000647623021 392657472 /nfs/dbraw/zinc/65/74/72/392657472.db2.gz KTWISXSZFNIJCE-MRVPVSSYSA-N -1 0 303.344 -0.580 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(S(=O)(=O)NC3CC3)C2)nn1 ZINC000647623806 392657606 /nfs/dbraw/zinc/65/76/06/392657606.db2.gz FREPJFKJQLLEOU-SECBINFHSA-N -1 0 315.355 -0.390 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)CCC[C@H]2CCOC2)CCO1 ZINC000647639491 392660654 /nfs/dbraw/zinc/66/06/54/392660654.db2.gz AFDPFUADWCMRJX-QWRGUYRKSA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])CCNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000340451708 131801132 /nfs/dbraw/zinc/80/11/32/131801132.db2.gz UOTQKYLCFFDWKB-UHFFFAOYSA-N -1 0 319.360 -0.231 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647743811 392836995 /nfs/dbraw/zinc/83/69/95/392836995.db2.gz BPRCOMGBGUMCBM-UHFFFAOYSA-N -1 0 304.328 -0.812 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@@H]1C(=O)[O-] ZINC000647747482 392838343 /nfs/dbraw/zinc/83/83/43/392838343.db2.gz KLFJPWAPMUWBCX-KXUCPTDWSA-N -1 0 304.368 -0.411 20 0 DBADRM Cn1nccc1[C@@H](NS(=O)(=O)CC1CCOCC1)C(=O)[O-] ZINC000644572003 392779108 /nfs/dbraw/zinc/77/91/08/392779108.db2.gz WJHALZMGYDJESU-LLVKDONJSA-N -1 0 317.367 -0.108 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)CCOCC1CC1 ZINC000644571452 392779340 /nfs/dbraw/zinc/77/93/40/392779340.db2.gz OTEFFGVIOZQFRK-LLVKDONJSA-N -1 0 307.368 -0.082 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(=O)OC ZINC000497224665 392803759 /nfs/dbraw/zinc/80/37/59/392803759.db2.gz DECYYLZRFSFRJP-VIFPVBQESA-N -1 0 310.372 -0.151 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NCCC(C)(C)C(=O)[O-] ZINC000390187725 392806987 /nfs/dbraw/zinc/80/69/87/392806987.db2.gz RVEFZHHZWOLZAT-UHFFFAOYSA-N -1 0 309.388 -0.274 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000647695254 392814799 /nfs/dbraw/zinc/81/47/99/392814799.db2.gz BXTVZXALQASVMD-RKDXNWHRSA-N -1 0 322.321 -0.091 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000221696970 392824167 /nfs/dbraw/zinc/82/41/67/392824167.db2.gz PAZQIEJVHWYOGH-KXUCPTDWSA-N -1 0 308.356 -0.874 20 0 DBADRM Cn1nnc2cc(C(=O)NCC3(C(=O)[O-])CCOCC3)cnc21 ZINC000647764643 392850578 /nfs/dbraw/zinc/85/05/78/392850578.db2.gz KTVGNONVTBHZMT-UHFFFAOYSA-N -1 0 319.321 -0.026 20 0 DBADRM C[C@H]1C[C@H](S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)CCO1 ZINC000570971731 392854576 /nfs/dbraw/zinc/85/45/76/392854576.db2.gz KXFCCSIGHHJIFN-DTWKUNHWSA-N -1 0 318.355 -0.537 20 0 DBADRM CS(=O)(=O)N1CCCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC000571049439 392861648 /nfs/dbraw/zinc/86/16/48/392861648.db2.gz JOHYLSOSOFAAIG-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC000647779580 392874175 /nfs/dbraw/zinc/87/41/75/392874175.db2.gz YGPMGNSFKYWECL-NKWVEPMBSA-N -1 0 302.308 -0.090 20 0 DBADRM CC[C@H](CCNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000297177162 132003370 /nfs/dbraw/zinc/00/33/70/132003370.db2.gz KWNLFOTWVRYZDF-MRVPVSSYSA-N -1 0 317.367 -0.097 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cn1 ZINC000647928461 392937352 /nfs/dbraw/zinc/93/73/52/392937352.db2.gz MRKQSDPMCRQMFQ-LLVKDONJSA-N -1 0 310.335 -0.211 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NS(=O)(=O)[C@@H]1CCOC1 ZINC000647928464 392937433 /nfs/dbraw/zinc/93/74/33/392937433.db2.gz MSPJZWCVIQJCKQ-MNOVXSKESA-N -1 0 300.336 -0.214 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CC[C@H](CN2CCOCC2)C1 ZINC000647899927 392920922 /nfs/dbraw/zinc/92/09/22/392920922.db2.gz CKALWJWKNNXUAJ-LLVKDONJSA-N -1 0 300.384 -0.248 20 0 DBADRM NC(=O)Cn1cc(NC(=O)c2nc3ccccc3c(=O)[n-]2)cn1 ZINC000340610738 132081395 /nfs/dbraw/zinc/08/13/95/132081395.db2.gz XZOVMUJIWMOIOT-UHFFFAOYSA-N -1 0 312.289 -0.143 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c1 ZINC000647928378 392937728 /nfs/dbraw/zinc/93/77/28/392937728.db2.gz KGNBTRWHLNKKRU-SNVBAGLBSA-N -1 0 310.335 -0.211 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cnn(C)c1 ZINC000647928503 392937971 /nfs/dbraw/zinc/93/79/71/392937971.db2.gz NRNSSENZFHGYSG-LLVKDONJSA-N -1 0 303.340 -0.326 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1nc2ccccn2c1=O)c1nnn[n-]1 ZINC000273463160 392938040 /nfs/dbraw/zinc/93/80/40/392938040.db2.gz FMFXWSFFBQLQBF-VIFPVBQESA-N -1 0 316.325 -0.729 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCNC(=O)C1 ZINC000299217672 132094433 /nfs/dbraw/zinc/09/44/33/132094433.db2.gz IGPPEYQRUIPCBZ-UHFFFAOYSA-N -1 0 315.326 -0.231 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC[C@@]1(COC)C(=O)[O-] ZINC000647928971 392938159 /nfs/dbraw/zinc/93/81/59/392938159.db2.gz ZRRHYQMTQHCKJO-LLVKDONJSA-N -1 0 310.372 -0.625 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000042551346 132150878 /nfs/dbraw/zinc/15/08/78/132150878.db2.gz AQGHVFDHKNJYGD-UHFFFAOYSA-N -1 0 308.356 -0.477 20 0 DBADRM CC(C)[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)c1nncn1C ZINC000340753822 132178038 /nfs/dbraw/zinc/17/80/38/132178038.db2.gz RWJOHDPJDMIQSS-SECBINFHSA-N -1 0 306.326 -0.259 20 0 DBADRM COC[C@@](C)([N-]S(=O)(=O)C[C@H](C)C(=O)OC)C(=O)OC ZINC000340909125 392981527 /nfs/dbraw/zinc/98/15/27/392981527.db2.gz APBOKXMDLRTGIP-GZMMTYOYSA-N -1 0 311.356 -0.707 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1nncn1-c1cccnc1 ZINC000342640359 392989605 /nfs/dbraw/zinc/98/96/05/392989605.db2.gz BDOQGHLOSAYHRW-SECBINFHSA-N -1 0 324.366 -0.119 20 0 DBADRM CC[C@@](COC)(NS(=O)(=O)[N-]CC(F)(F)F)C(=O)OC ZINC000416513205 393006893 /nfs/dbraw/zinc/00/68/93/393006893.db2.gz CLVVECIALFYVMD-QMMMGPOBSA-N -1 0 322.305 -0.059 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](Nc2cncc(C(N)=O)n2)C1=O ZINC000416449506 393007191 /nfs/dbraw/zinc/00/71/91/393007191.db2.gz WAUVBZZYGLOYLS-KWQFWETISA-N -1 0 321.337 -0.303 20 0 DBADRM Cn1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(=O)[nH]c1=O ZINC000428048834 393026269 /nfs/dbraw/zinc/02/62/69/393026269.db2.gz LEZMVBBGAJLILD-NSHDSACASA-N -1 0 317.301 -0.088 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000428061319 393027963 /nfs/dbraw/zinc/02/79/63/393027963.db2.gz GRVKQMJMHVLGQN-MRVPVSSYSA-N -1 0 318.289 -0.104 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1CSCN1C(C)=O ZINC000330691709 393036715 /nfs/dbraw/zinc/03/67/15/393036715.db2.gz ZGMWORXJUXEBOQ-JOYOIKCWSA-N -1 0 304.368 -0.096 20 0 DBADRM Cn1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c(=O)[nH]c1=O ZINC000428077680 393038472 /nfs/dbraw/zinc/03/84/72/393038472.db2.gz LEZMVBBGAJLILD-LLVKDONJSA-N -1 0 317.301 -0.088 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)N2CCOCC2)C1=O ZINC000417448809 393046793 /nfs/dbraw/zinc/04/67/93/393046793.db2.gz WMFGVOBHDVGIKB-QWRGUYRKSA-N -1 0 313.354 -0.262 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)N2CCOCC2)C1=O ZINC000417448807 393047252 /nfs/dbraw/zinc/04/72/52/393047252.db2.gz WMFGVOBHDVGIKB-GHMZBOCLSA-N -1 0 313.354 -0.262 20 0 DBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCO)c1 ZINC000426055894 393069729 /nfs/dbraw/zinc/06/97/29/393069729.db2.gz VPOFWRYZSJSLKI-UHFFFAOYSA-N -1 0 315.351 -0.261 20 0 DBADRM Cc1ccc(S(N)(=O)=O)c(C(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000348298013 393138967 /nfs/dbraw/zinc/13/89/67/393138967.db2.gz NFSZDSLGNCGHBC-UHFFFAOYSA-N -1 0 322.350 -0.425 20 0 DBADRM Nc1c([N-]S(=O)(=O)c2c[nH]cn2)cccc1S(N)(=O)=O ZINC000349988139 393225496 /nfs/dbraw/zinc/22/54/96/393225496.db2.gz MPYGFIJIUKYSMO-UHFFFAOYSA-N -1 0 317.352 -0.560 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)[C@@H]1CCc2ncncc2C1 ZINC000648415614 393227305 /nfs/dbraw/zinc/22/73/05/393227305.db2.gz DKUCJAZNZZOEPL-SSDOTTSWSA-N -1 0 301.310 -0.302 20 0 DBADRM CCCc1nc(=NC(=O)N2CCC[C@](O)(C(N)=O)C2)s[n-]1 ZINC000350904456 393257392 /nfs/dbraw/zinc/25/73/92/393257392.db2.gz WBCHTIUPEFLMFQ-GFCCVEGCSA-N -1 0 313.383 -0.243 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)NCCNS(C)(=O)=O)s[n-]1 ZINC000350639547 393243594 /nfs/dbraw/zinc/24/35/94/393243594.db2.gz PVSPGTOIULWLPE-ZCFIWIBFSA-N -1 0 323.400 -0.662 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)NCCCc1ccccc1)C(=O)[O-] ZINC000349045122 393187227 /nfs/dbraw/zinc/18/72/27/393187227.db2.gz ITQZAORPPWSFPO-HNNXBMFYSA-N -1 0 308.334 -0.313 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000349657727 393210679 /nfs/dbraw/zinc/21/06/79/393210679.db2.gz RQZJGDUHDUFJTE-JTQLQIEISA-N -1 0 309.384 -0.354 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCNC(=O)c1cccnc1 ZINC000350946852 393263394 /nfs/dbraw/zinc/26/33/94/393263394.db2.gz CUMKGIXZXPQJJP-UHFFFAOYSA-N -1 0 322.350 -0.456 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000192008710 393266535 /nfs/dbraw/zinc/26/65/35/393266535.db2.gz ONAPVRHOTGOROL-ZETCQYMHSA-N -1 0 303.306 -0.064 20 0 DBADRM Cn1nc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)ccc1=O ZINC000352098940 393347909 /nfs/dbraw/zinc/34/79/09/393347909.db2.gz VBQPBVDELJMMRD-UHFFFAOYSA-N -1 0 313.277 -0.286 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000352274866 393362201 /nfs/dbraw/zinc/36/22/01/393362201.db2.gz MMBXCNRSBDWHDG-GHMZBOCLSA-N -1 0 312.347 -0.038 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000352274871 393362826 /nfs/dbraw/zinc/36/28/26/393362826.db2.gz MMBXCNRSBDWHDG-WDEREUQCSA-N -1 0 312.347 -0.038 20 0 DBADRM COCC(=O)N[C@H](C(=O)N(C)C[C@H](C)c1nnn[n-]1)C(C)C ZINC000352473187 393377743 /nfs/dbraw/zinc/37/77/43/393377743.db2.gz QMQUZJJIXSVGGK-ONGXEEELSA-N -1 0 312.374 -0.451 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3ccon3)cnc21 ZINC000352878514 393412813 /nfs/dbraw/zinc/41/28/13/393412813.db2.gz VVLWLXFHIVHZPV-UHFFFAOYSA-N -1 0 323.290 -0.177 20 0 DBADRM CN(CC(=O)Nc1ccc(Cc2nn[nH]n2)cc1)S(C)(=O)=O ZINC000353016728 393423154 /nfs/dbraw/zinc/42/31/54/393423154.db2.gz FOFABJLLWPQTJI-UHFFFAOYSA-N -1 0 324.366 -0.380 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)CC(=O)N(C)C)C1=O ZINC000358714564 393441665 /nfs/dbraw/zinc/44/16/65/393441665.db2.gz MWIBCAGLLCBYDL-SKDRFNHKSA-N -1 0 313.354 -0.709 20 0 DBADRM CC(C)CCOCCNC(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC000648424990 393467748 /nfs/dbraw/zinc/46/77/48/393467748.db2.gz AROFBGCJQKYYPQ-GFCCVEGCSA-N -1 0 302.371 -0.049 20 0 DBADRM O=C([O-])[C@@H]1COCCN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000648425765 393469975 /nfs/dbraw/zinc/46/99/75/393469975.db2.gz ORDXYARKBKBUIQ-RWMBFGLXSA-N -1 0 312.366 -0.058 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])o1 ZINC000275089453 292015870 /nfs/dbraw/zinc/01/58/70/292015870.db2.gz JYJVXBLSIRNPCE-ZETCQYMHSA-N -1 0 319.291 -0.460 20 0 DBADRM NS(=O)(=O)c1cccc(S(=O)(=O)NCCC(=O)[O-])c1 ZINC000037417387 393501431 /nfs/dbraw/zinc/50/14/31/393501431.db2.gz VYZMNPYOHGVOLO-UHFFFAOYSA-N -1 0 308.337 -0.913 20 0 DBADRM CS(=O)(=O)CCCCNS(=O)(=O)[N-]CC(F)(F)F ZINC000425181701 393514523 /nfs/dbraw/zinc/51/45/23/393514523.db2.gz XKQPFUGTMCOHLS-UHFFFAOYSA-N -1 0 312.335 -0.203 20 0 DBADRM CN1C(=O)CC[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C1=O ZINC000425225375 393517172 /nfs/dbraw/zinc/51/71/72/393517172.db2.gz PIEKPUWOMRFUEE-RXMQYKEDSA-N -1 0 303.262 -0.880 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c(C)c1 ZINC000275290198 292016366 /nfs/dbraw/zinc/01/63/66/292016366.db2.gz PDZMOPOIWBOJTH-VIFPVBQESA-N -1 0 317.319 -0.495 20 0 DBADRM CO[C@H](CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC000263073604 393596968 /nfs/dbraw/zinc/59/69/68/393596968.db2.gz KEWPFCXILMVJKU-HTQZYQBOSA-N -1 0 310.372 -0.834 20 0 DBADRM COCCN(Cc1ccnn1C)C(=O)c1cnc([O-])n(C)c1=O ZINC000428697535 393680438 /nfs/dbraw/zinc/68/04/38/393680438.db2.gz AXUDHGCWSBXWNA-UHFFFAOYSA-N -1 0 321.337 -0.492 20 0 DBADRM Cc1csc(NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC000396753688 393626859 /nfs/dbraw/zinc/62/68/59/393626859.db2.gz YIGWDUJSXPXKJH-UHFFFAOYSA-N -1 0 312.351 -0.381 20 0 DBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)C[C@H](C)OC)n1 ZINC000424216688 393634861 /nfs/dbraw/zinc/63/48/61/393634861.db2.gz BOPABWALMUBQHY-QMMMGPOBSA-N -1 0 306.344 -0.382 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NCCC(C)(C)C(=O)[O-])nn1 ZINC000424240968 393636024 /nfs/dbraw/zinc/63/60/24/393636024.db2.gz YFJFCNMGUXNZRR-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM C[C@@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H]1C(=O)[O-] ZINC000424254666 393636124 /nfs/dbraw/zinc/63/61/24/393636124.db2.gz LHKJAICVIXDMDG-APPZFPTMSA-N -1 0 311.294 -0.881 20 0 DBADRM C[C@H]1CCCN(C(=O)CN2CCCS2(=O)=O)[C@H]1C(=O)[O-] ZINC000424245179 393636270 /nfs/dbraw/zinc/63/62/70/393636270.db2.gz GKSMGHQXKOFOJU-GXSJLCMTSA-N -1 0 304.368 -0.266 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])CCO1 ZINC000424405598 393637837 /nfs/dbraw/zinc/63/78/37/393637837.db2.gz OUVSQAXZZMSTID-SECBINFHSA-N -1 0 301.343 -0.356 20 0 DBADRM CC(C)(CCNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)C(=O)[O-] ZINC000424402592 393637935 /nfs/dbraw/zinc/63/79/35/393637935.db2.gz HRJJRCFJYSKKIE-QMMMGPOBSA-N -1 0 312.326 -0.567 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424369657 393638497 /nfs/dbraw/zinc/63/84/97/393638497.db2.gz RNBYXMATPYDVKV-ONGXEEELSA-N -1 0 322.383 -0.089 20 0 DBADRM CSC[C@@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424410941 393639194 /nfs/dbraw/zinc/63/91/94/393639194.db2.gz NXDCLSYJSXVWDY-SFYZADRCSA-N -1 0 310.397 -0.369 20 0 DBADRM CC(C)C[C@H](CNC(=O)NCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000424408146 393639734 /nfs/dbraw/zinc/63/97/34/393639734.db2.gz KXZIQACPFUTBBP-SECBINFHSA-N -1 0 314.342 -0.416 20 0 DBADRM CN(CC1(CO)CC1)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424488258 393644953 /nfs/dbraw/zinc/64/49/53/393644953.db2.gz MBVDOSVNQWYMNM-UHFFFAOYSA-N -1 0 300.355 -0.166 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H](O)C1)C(=O)[O-] ZINC000424486858 393644983 /nfs/dbraw/zinc/64/49/83/393644983.db2.gz GVECJFTZVPJQPR-GHMZBOCLSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1)C(=O)[O-] ZINC000424503150 393645094 /nfs/dbraw/zinc/64/50/94/393645094.db2.gz HPBWKNKCFMSEJL-GHMZBOCLSA-N -1 0 323.353 -0.379 20 0 DBADRM CN(CCOCCO)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424488243 393645125 /nfs/dbraw/zinc/64/51/25/393645125.db2.gz MAOXUUVMSOJVCF-UHFFFAOYSA-N -1 0 304.343 -0.929 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCn2cnnc2C1)C(=O)[O-] ZINC000424486652 393645222 /nfs/dbraw/zinc/64/52/22/393645222.db2.gz GGSAEGKOVXHOFA-JTQLQIEISA-N -1 0 323.353 -0.517 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H]1[C@@H](CNC(=O)C(=O)[O-])CC(=O)N1C ZINC000424532804 393647395 /nfs/dbraw/zinc/64/73/95/393647395.db2.gz XRECTISRJTXGEF-SKDRFNHKSA-N -1 0 308.338 -0.243 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCC(=O)NCCO)c1 ZINC000424723840 393652498 /nfs/dbraw/zinc/65/24/98/393652498.db2.gz DDWHQRPXGRDXCN-OAQYLSRUSA-N -1 0 314.363 -0.973 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N2C[C@H](O)C[C@H]2CO)c1 ZINC000424756292 393653189 /nfs/dbraw/zinc/65/31/89/393653189.db2.gz SKLQOMOTWSRTPC-WIFINTHYSA-N -1 0 313.375 -0.243 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)CCN1CCO ZINC000428512752 393676165 /nfs/dbraw/zinc/67/61/65/393676165.db2.gz DRZRORLGKUKSFK-SNVBAGLBSA-N -1 0 319.365 -0.188 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(C)(C)C(=O)[O-])cc1C(N)=O ZINC000164869634 393733302 /nfs/dbraw/zinc/73/33/02/393733302.db2.gz CUBISOWXDBZZDR-UHFFFAOYSA-N -1 0 303.340 -0.487 20 0 DBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)NCCC(=O)[O-] ZINC000645936978 393733513 /nfs/dbraw/zinc/73/35/13/393733513.db2.gz VMIMUWNALACXKR-UHFFFAOYSA-N -1 0 322.364 -0.652 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)c1 ZINC000165945837 393734815 /nfs/dbraw/zinc/73/48/15/393734815.db2.gz UVMDMVQMOGKJSG-UHFFFAOYSA-N -1 0 303.340 -0.420 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000645969093 393736970 /nfs/dbraw/zinc/73/69/70/393736970.db2.gz OJPJUYBGLLMSRC-QMMMGPOBSA-N -1 0 316.401 -0.997 20 0 DBADRM COCCOC1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC000645983919 393737828 /nfs/dbraw/zinc/73/78/28/393737828.db2.gz DXMFHCDZXGUNMA-JTQLQIEISA-N -1 0 308.356 -0.873 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCCOC1CCOCC1 ZINC000645982342 393737931 /nfs/dbraw/zinc/73/79/31/393737931.db2.gz PWKXIBIDLMYXCA-UHFFFAOYSA-N -1 0 324.399 -0.187 20 0 DBADRM COCCOC[C@@H]1CCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000645986227 393737962 /nfs/dbraw/zinc/73/79/62/393737962.db2.gz IBKMFWJZHCUCRL-LLVKDONJSA-N -1 0 324.399 -0.377 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC[C@]2(CCOC2)C1 ZINC000645988602 393738587 /nfs/dbraw/zinc/73/85/87/393738587.db2.gz YMPQXSQXOGUTLR-JQWIXIFHSA-N -1 0 304.368 -0.107 20 0 DBADRM C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000645987976 393738653 /nfs/dbraw/zinc/73/86/53/393738653.db2.gz FIJOREWRQLCDAB-VHSXEESVSA-N -1 0 310.372 -0.579 20 0 DBADRM CCO[C@@H]1C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@H]1OC ZINC000645996417 393738677 /nfs/dbraw/zinc/73/86/77/393738677.db2.gz GYHBPXBUWOKALG-FXPVBKGRSA-N -1 0 310.372 -0.580 20 0 DBADRM CCO[C@@H]1C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@@H]1OC ZINC000645996420 393738679 /nfs/dbraw/zinc/73/86/79/393738679.db2.gz GYHBPXBUWOKALG-NGZCFLSTSA-N -1 0 310.372 -0.580 20 0 DBADRM CCO[C@@H]1C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@H]1OC ZINC000645996418 393739034 /nfs/dbraw/zinc/73/90/34/393739034.db2.gz GYHBPXBUWOKALG-IQJOONFLSA-N -1 0 310.372 -0.580 20 0 DBADRM CC[C@](C)(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000646007217 393739487 /nfs/dbraw/zinc/73/94/87/393739487.db2.gz MFZFCOWWYCKTJM-VIFPVBQESA-N -1 0 301.386 -0.406 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000646045625 393745697 /nfs/dbraw/zinc/74/56/97/393745697.db2.gz XJLMNUFSXHGOOE-MNOVXSKESA-N -1 0 324.399 -0.331 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCCN2C(=O)CNC2=O)C1 ZINC000646147814 393754795 /nfs/dbraw/zinc/75/47/95/393754795.db2.gz SATNTGLNJDGKEL-BDAKNGLRSA-N -1 0 312.326 -0.519 20 0 DBADRM C[C@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC(=O)N1C ZINC000646168222 393755517 /nfs/dbraw/zinc/75/55/17/393755517.db2.gz WBDPNNNEJKNTHH-JTQLQIEISA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H]1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)C[C@@H]1C(=O)[O-] ZINC000646154721 393755525 /nfs/dbraw/zinc/75/55/25/393755525.db2.gz CCDWUFBZIZMAQV-UWVGGRQHSA-N -1 0 323.353 -0.108 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCO1 ZINC000646175370 393756021 /nfs/dbraw/zinc/75/60/21/393756021.db2.gz SXHBMCPIBZGDSM-TUAOUCFPSA-N -1 0 313.354 -0.214 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000646178362 393756301 /nfs/dbraw/zinc/75/63/01/393756301.db2.gz OFCHYISNAFJOJV-DJLDLDEBSA-N -1 0 305.356 -0.688 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)cn1 ZINC000430064819 393702757 /nfs/dbraw/zinc/70/27/57/393702757.db2.gz JDBNMUHAZURXAT-UHFFFAOYSA-N -1 0 324.366 -0.129 20 0 DBADRM C[C@@H](NC(=O)COc1ccccc1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000443513272 393718413 /nfs/dbraw/zinc/71/84/13/393718413.db2.gz VHRCLQUTTIOJOJ-SECBINFHSA-N -1 0 319.321 -0.290 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)NCCN1CCC1 ZINC000443717700 393721249 /nfs/dbraw/zinc/72/12/49/393721249.db2.gz KLTXXGVFBOOMCJ-UHFFFAOYSA-N -1 0 305.381 -0.086 20 0 DBADRM CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1nnn[n-]1 ZINC000490453542 393786255 /nfs/dbraw/zinc/78/62/55/393786255.db2.gz KFTNGLIJNMRJLE-UHFFFAOYSA-N -1 0 324.322 -0.594 20 0 DBADRM Cc1cc(C(=O)NCc2nnn(C)n2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000490641888 393789851 /nfs/dbraw/zinc/78/98/51/393789851.db2.gz BVBIMFGIXABYQZ-UHFFFAOYSA-N -1 0 316.281 -0.802 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000491273485 393808469 /nfs/dbraw/zinc/80/84/69/393808469.db2.gz MKYWQORFDWFDAV-UHFFFAOYSA-N -1 0 318.355 -0.412 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC000262260702 285608766 /nfs/dbraw/zinc/60/87/66/285608766.db2.gz XOSAGDYIBBPOBW-KXUCPTDWSA-N -1 0 304.368 -0.363 20 0 DBADRM COC(C)(C)CS(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000263462026 292059087 /nfs/dbraw/zinc/05/90/87/292059087.db2.gz DYBPUUOVBUJUEC-VIFPVBQESA-N -1 0 324.399 -0.348 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)[C@H](C)C(=O)[O-] ZINC000250659691 285869704 /nfs/dbraw/zinc/86/97/04/285869704.db2.gz DMRCYRSSPITUCE-BDAKNGLRSA-N -1 0 308.356 -0.336 20 0 DBADRM CCOCCS(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000262433271 286116356 /nfs/dbraw/zinc/11/63/56/286116356.db2.gz ORKPEULJDYDNKC-VIFPVBQESA-N -1 0 310.372 -0.736 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCC(=O)[O-])[C@@H]1OC ZINC000420549837 286250372 /nfs/dbraw/zinc/25/03/72/286250372.db2.gz CBCMJQDNGKPIRF-KKZNHRDASA-N -1 0 302.327 -0.772 20 0 DBADRM COCCN(C(=O)c1cnc([O-])n(C)c1=O)[C@@H]1CCO[C@@H]1C ZINC000331219961 292405266 /nfs/dbraw/zinc/40/52/66/292405266.db2.gz XZPPYKIEWQJBQA-MWLCHTKSSA-N -1 0 311.338 -0.248 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CS(=O)(=O)C1CCCC1 ZINC000262465086 292451814 /nfs/dbraw/zinc/45/18/14/292451814.db2.gz YTCAKPASWOMKEA-UHFFFAOYSA-N -1 0 307.368 -0.097 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000370293558 292490742 /nfs/dbraw/zinc/49/07/42/292490742.db2.gz GZSYWTBIYKGZIY-WDEREUQCSA-N -1 0 324.399 -0.379 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCCN1CCOCC1 ZINC000650232915 411638080 /nfs/dbraw/zinc/63/80/80/411638080.db2.gz SEYIZSCOYJKUGG-VXGBXAGGSA-N -1 0 320.411 -0.024 20 0 DBADRM O=C1C[C@@H](NCc2nnn[n-]2)C(=O)N1c1ccc(F)cc1F ZINC000653285040 411704073 /nfs/dbraw/zinc/70/40/73/411704073.db2.gz AZEXEIWMNGCNBV-MRVPVSSYSA-N -1 0 308.248 -0.100 20 0 DBADRM O=C([O-])CCCCCNC(=O)C1(n2cnnn2)CCOCC1 ZINC000659129294 411711554 /nfs/dbraw/zinc/71/15/54/411711554.db2.gz LGPUJYDGWQFRBE-UHFFFAOYSA-N -1 0 311.342 -0.060 20 0 DBADRM CN(CCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000653298191 411716801 /nfs/dbraw/zinc/71/68/01/411716801.db2.gz YQXMAZRFBOJNMF-ZJUUUORDSA-N -1 0 306.384 -0.115 20 0 DBADRM CN(CC(=O)NCCCN1CCCC1=O)Cc1n[n-]c(=O)o1 ZINC000660848784 411650079 /nfs/dbraw/zinc/65/00/79/411650079.db2.gz ANGBHWMDXQUVKO-UHFFFAOYSA-N -1 0 311.342 -0.664 20 0 DBADRM CC(C)n1cnc(=NC(=O)c2ccnc(S(C)(=O)=O)n2)[n-]1 ZINC000650286191 411655535 /nfs/dbraw/zinc/65/55/35/411655535.db2.gz UDQNGEUVTIYUAU-UHFFFAOYSA-N -1 0 310.339 -0.273 20 0 DBADRM CCOCCN(C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662905702 411657219 /nfs/dbraw/zinc/65/72/19/411657219.db2.gz FOEBWFRAGGQGNC-QMTHXVAHSA-N -1 0 314.338 -0.959 20 0 DBADRM CO[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000662911743 411658509 /nfs/dbraw/zinc/65/85/09/411658509.db2.gz HOZVARSUTXBLSG-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000650417152 411663802 /nfs/dbraw/zinc/66/38/02/411663802.db2.gz RQIZFIJSFLSKSO-SWPVVBRQSA-N -1 0 315.351 -0.272 20 0 DBADRM C[C@@H]1CN(C(=O)C2(C(=O)[O-])CC=CC2)CCN1S(C)(=O)=O ZINC000663134696 411669729 /nfs/dbraw/zinc/66/97/29/411669729.db2.gz YZELHNVMFUKPDZ-SNVBAGLBSA-N -1 0 316.379 -0.100 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000663065668 411670048 /nfs/dbraw/zinc/67/00/48/411670048.db2.gz CIFLQSQKUFUPJA-LBPRGKRZSA-N -1 0 316.335 -0.560 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)CC(=O)NCCCN(C)S(C)(=O)=O ZINC000650515991 411670205 /nfs/dbraw/zinc/67/02/05/411670205.db2.gz MHTKIFOMBCWRFE-JTQLQIEISA-N -1 0 323.415 -0.821 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)N=c2nc(C)n(C)[n-]2)[C@@H](CC)CO1 ZINC000651987564 411674807 /nfs/dbraw/zinc/67/48/07/411674807.db2.gz DWGRGRUFZCEZLZ-QWRGUYRKSA-N -1 0 309.370 -0.100 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1ccc(-n2cnnn2)cn1 ZINC000655392059 411675633 /nfs/dbraw/zinc/67/56/33/411675633.db2.gz CFBKFUCPMOCFBO-UHFFFAOYSA-N -1 0 315.297 -0.756 20 0 DBADRM CN(C)C(=O)Cn1cnc(=NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)[n-]1 ZINC000475842283 411682561 /nfs/dbraw/zinc/68/25/61/411682561.db2.gz ZXRUOOAAHGDBHE-BBBLOLIVSA-N -1 0 308.342 -0.770 20 0 DBADRM COCCNC(=O)CN1CCN(c2ccnc(C(=O)[O-])c2)CC1 ZINC000650766229 411686968 /nfs/dbraw/zinc/68/69/68/411686968.db2.gz ZGZPOBCMKIPXJV-UHFFFAOYSA-N -1 0 322.365 -0.336 20 0 DBADRM CC(=O)N1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC000659050059 411687276 /nfs/dbraw/zinc/68/72/76/411687276.db2.gz GZFRMPINRMEXAG-UHFFFAOYSA-N -1 0 320.305 -0.591 20 0 DBADRM COc1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)nn1C ZINC000659069377 411688674 /nfs/dbraw/zinc/68/86/74/411688674.db2.gz BOMPENJGVOXUID-UHFFFAOYSA-N -1 0 310.310 -0.262 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659060289 411689350 /nfs/dbraw/zinc/68/93/50/411689350.db2.gz YEZRPSJGHMJGSL-RKDXNWHRSA-N -1 0 307.306 -0.052 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)CO[C@H](C)c2nccn2C)[n-]n1 ZINC000650818771 411690485 /nfs/dbraw/zinc/69/04/85/411690485.db2.gz XNSXQKVNQTZKQF-SECBINFHSA-N -1 0 318.337 -0.292 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)C2(COC)CCOCC2)[n-]n1 ZINC000650818416 411690523 /nfs/dbraw/zinc/69/05/23/411690523.db2.gz KLHUZEPTYNOCKQ-UHFFFAOYSA-N -1 0 308.338 -0.360 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)N=c2ccc(C(=O)NC)n[n-]2)C1 ZINC000650816045 411690637 /nfs/dbraw/zinc/69/06/37/411690637.db2.gz HVCHCKNRROZQHQ-JTQLQIEISA-N -1 0 319.365 -0.155 20 0 DBADRM CCC(=O)N1CCCC[C@H]1C(=O)N=c1ccc(C(=O)NC)n[n-]1 ZINC000650815993 411690855 /nfs/dbraw/zinc/69/08/55/411690855.db2.gz GODRBMVEUPMDKJ-NSHDSACASA-N -1 0 319.365 -0.012 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N=c1ccc(C(=O)NC)n[n-]1 ZINC000650816848 411690953 /nfs/dbraw/zinc/69/09/53/411690953.db2.gz JMMXBLOFXPOLBQ-VIFPVBQESA-N -1 0 323.378 -0.492 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@H]2CCCN2C(=O)C(C)C)[n-]n1 ZINC000650816355 411690972 /nfs/dbraw/zinc/69/09/72/411690972.db2.gz SUZHDLPTFLCNLF-LLVKDONJSA-N -1 0 319.365 -0.156 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@]2(C)CCN(C(C)=O)C2)[n-]n1 ZINC000650817131 411691005 /nfs/dbraw/zinc/69/10/05/411691005.db2.gz UCOIYYJZTRPMEL-AWEZNQCLSA-N -1 0 305.338 -0.545 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N=c2ccc(C(=O)NC)n[n-]2)C1 ZINC000650817556 411691116 /nfs/dbraw/zinc/69/11/16/411691116.db2.gz GXYLFMXXQGSSSR-VIFPVBQESA-N -1 0 305.338 -0.545 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)[n-]n1 ZINC000650815515 411691471 /nfs/dbraw/zinc/69/14/71/411691471.db2.gz UGDNRNBACJGXIF-SNVBAGLBSA-N -1 0 319.365 -0.299 20 0 DBADRM C[C@@H](c1cccnc1)N1C(=O)C[C@H](NCc2nnn[n-]2)C1=O ZINC000653285217 411703237 /nfs/dbraw/zinc/70/32/37/411703237.db2.gz HXKQKIQGCJPWDP-WPRPVWTQSA-N -1 0 301.310 -0.427 20 0 DBADRM CC(C)(CNS(=O)(=O)CCCC(=O)[O-])NS(C)(=O)=O ZINC000104410928 411738342 /nfs/dbraw/zinc/73/83/42/411738342.db2.gz SRXPPUOYSIGOQP-UHFFFAOYSA-N -1 0 316.401 -0.902 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000653318925 411738612 /nfs/dbraw/zinc/73/86/12/411738612.db2.gz BTPJAZFJWQKJCQ-NXEZZACHSA-N -1 0 308.338 -0.155 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000398860455 411741129 /nfs/dbraw/zinc/74/11/29/411741129.db2.gz QHAKAZIRPUAKGG-MXWKQRLJSA-N -1 0 318.395 -0.020 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000653320754 411741656 /nfs/dbraw/zinc/74/16/56/411741656.db2.gz VGIRSGJQWSJVIU-MRVPVSSYSA-N -1 0 311.294 -0.737 20 0 DBADRM C[C@@H](NC(=O)CC1(n2cnnn2)CCOCC1)[C@H](C)C(=O)[O-] ZINC000659151875 411742450 /nfs/dbraw/zinc/74/24/50/411742450.db2.gz DFRISZISLQHCTI-VHSXEESVSA-N -1 0 311.342 -0.206 20 0 DBADRM Cn1cc(CCNS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC000110287021 411742609 /nfs/dbraw/zinc/74/26/09/411742609.db2.gz PLDUQCCJJLLTKQ-LLVKDONJSA-N -1 0 316.383 -0.406 20 0 DBADRM C[C@](CNC(=O)CN1CC(=O)NC1=O)(C(=O)[O-])c1ccccc1 ZINC000653322835 411748889 /nfs/dbraw/zinc/74/88/89/411748889.db2.gz GBQVZDSNLYWEAC-OAHLLOKOSA-N -1 0 319.317 -0.303 20 0 DBADRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652069255 411753582 /nfs/dbraw/zinc/75/35/82/411753582.db2.gz DOGZKSRCQOXYKM-UHNVWZDZSA-N -1 0 304.246 -0.800 20 0 DBADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000652070245 411753707 /nfs/dbraw/zinc/75/37/07/411753707.db2.gz OBJLIHHSGADDTB-JOYOIKCWSA-N -1 0 304.368 -0.363 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652051807 411753715 /nfs/dbraw/zinc/75/37/15/411753715.db2.gz QXEMRGVRGJEFRI-NAKRPEOUSA-N -1 0 316.379 -0.078 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1cccs1 ZINC000652068758 411753755 /nfs/dbraw/zinc/75/37/55/411753755.db2.gz ODQHPBJWOBKEIV-SVRRBLITSA-N -1 0 304.349 -0.318 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652055494 411753876 /nfs/dbraw/zinc/75/38/76/411753876.db2.gz DBPCIELRPRPKFK-NXEZZACHSA-N -1 0 320.367 -0.840 20 0 DBADRM CC(C)Oc1ccc(=NC(=O)C(=O)N(C)[C@@H](C)CCO)[n-]n1 ZINC000652253370 411792627 /nfs/dbraw/zinc/79/26/27/411792627.db2.gz IBLNURTXJJRORO-JTQLQIEISA-N -1 0 310.354 -0.147 20 0 DBADRM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652066264 411754029 /nfs/dbraw/zinc/75/40/29/411754029.db2.gz DSKUQVITPNAYMX-ZJUUUORDSA-N -1 0 304.368 -0.076 20 0 DBADRM O=C([O-])c1cccc(CCNC(=O)[C@@H]2CCS(=O)(=O)N2)c1 ZINC000652065656 411754047 /nfs/dbraw/zinc/75/40/47/411754047.db2.gz GXHUTZYNIYSXLU-NSHDSACASA-N -1 0 312.347 -0.265 20 0 DBADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCS(=O)(=O)N1)CC2 ZINC000652065923 411754100 /nfs/dbraw/zinc/75/41/00/411754100.db2.gz QWKJPSOLFSPYQH-LBPRGKRZSA-N -1 0 324.358 -0.039 20 0 DBADRM C[C@](NC(=O)[C@H]1CCS(=O)(=O)N1)(C(=O)[O-])c1ccccc1 ZINC000652056069 411754260 /nfs/dbraw/zinc/75/42/60/411754260.db2.gz VEDKZUNFQQZNHX-ZWNOBZJWSA-N -1 0 312.347 -0.206 20 0 DBADRM O=C([O-])CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1CCCCC1 ZINC000652057069 411754272 /nfs/dbraw/zinc/75/42/72/411754272.db2.gz SGLVKRZOJGMCTJ-JTQLQIEISA-N -1 0 304.368 -0.076 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC000652076756 411755890 /nfs/dbraw/zinc/75/58/90/411755890.db2.gz XLVSEGVJERIAMP-SECBINFHSA-N -1 0 301.343 -0.756 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C1CC1 ZINC000652129521 411759891 /nfs/dbraw/zinc/75/98/91/411759891.db2.gz HMCUNMJNSCBWPU-OUAUKWLOSA-N -1 0 301.364 -0.010 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N(CC(C)(C)O)C2CC2)[n-]1 ZINC000651729750 411770770 /nfs/dbraw/zinc/77/07/70/411770770.db2.gz QNZHPFFTGYEJNG-UHFFFAOYSA-N -1 0 309.370 -0.019 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCOC[C@H]2C2CC2)[n-]1 ZINC000651719632 411771449 /nfs/dbraw/zinc/77/14/49/411771449.db2.gz ZTVPWQWLNUOEDR-NSHDSACASA-N -1 0 307.354 -0.143 20 0 DBADRM N=c1[n-]nc(CCNC(=O)C2(n3cnnn3)CCCCC2)o1 ZINC000651840488 411776930 /nfs/dbraw/zinc/77/69/30/411776930.db2.gz OAPDHPOCFCSWAL-UHFFFAOYSA-N -1 0 306.330 -0.513 20 0 DBADRM CC[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651833115 411777989 /nfs/dbraw/zinc/77/79/89/411777989.db2.gz QJDUYGRVTHFGMH-GHMZBOCLSA-N -1 0 309.370 -0.161 20 0 DBADRM C[C@@H](COCC1CC1)NC(=O)C(=O)N=c1nc2n([n-]1)CCCC2 ZINC000652154329 411787064 /nfs/dbraw/zinc/78/70/64/411787064.db2.gz BZILIWYKNXSFFL-JTQLQIEISA-N -1 0 321.381 -0.094 20 0 DBADRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651201639 411723533 /nfs/dbraw/zinc/72/35/33/411723533.db2.gz ZDQYBCJIEMAZNV-RXMQYKEDSA-N -1 0 312.273 -0.211 20 0 DBADRM CN=c1[n-]nc(CC(=O)NCC[C@]2(O)CCCOC2)s1 ZINC000652952158 411864449 /nfs/dbraw/zinc/86/44/49/411864449.db2.gz LBBBLJFYSQIUME-GFCCVEGCSA-N -1 0 300.384 -0.408 20 0 DBADRM CCCc1nc(=NC(=O)c2nc(N)nc(N(C)C)n2)s[n-]1 ZINC000517037065 411798564 /nfs/dbraw/zinc/79/85/64/411798564.db2.gz JGSJGAYQTPNFPU-UHFFFAOYSA-N -1 0 308.371 -0.002 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N[C@@H]2CCCNC2=O)cc1 ZINC000050397479 411803213 /nfs/dbraw/zinc/80/32/13/411803213.db2.gz MUXRPMCLBDGZPE-LLVKDONJSA-N -1 0 312.347 -0.129 20 0 DBADRM CNS(=O)(=O)c1ccc(N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)nc1 ZINC000652536881 411805049 /nfs/dbraw/zinc/80/50/49/411805049.db2.gz QBOSHJYBWOGZIS-PSASIEDQSA-N -1 0 315.351 -0.332 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCC2 ZINC000408491251 411806561 /nfs/dbraw/zinc/80/65/61/411806561.db2.gz GTTUPOCSOMXIII-UHFFFAOYSA-N -1 0 311.323 -0.173 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000652618377 411807269 /nfs/dbraw/zinc/80/72/69/411807269.db2.gz JZGCKIZOMODPIY-JGZJWPJOSA-N -1 0 319.317 -0.368 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653330196 411809816 /nfs/dbraw/zinc/80/98/16/411809816.db2.gz BJUZEZSOFHZQLV-QWRGUYRKSA-N -1 0 312.347 -0.035 20 0 DBADRM C[C@@H](CO)C1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])CC1 ZINC000652660980 411810401 /nfs/dbraw/zinc/81/04/01/411810401.db2.gz YTQONFUIUFJBBE-JTQLQIEISA-N -1 0 300.355 -0.214 20 0 DBADRM CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000652655921 411810430 /nfs/dbraw/zinc/81/04/30/411810430.db2.gz PKMROQSHVMKYSL-MXWKQRLJSA-N -1 0 314.338 -0.628 20 0 DBADRM CCN1C[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC1=O ZINC000652655505 411810570 /nfs/dbraw/zinc/81/05/70/411810570.db2.gz GGMISQUFCFNBIX-ZJUUUORDSA-N -1 0 313.354 -0.850 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC3(F)F)C2)CCO1 ZINC000652660947 411810579 /nfs/dbraw/zinc/81/05/79/411810579.db2.gz YJIUCMMYQAUSAV-UFBFGSQYSA-N -1 0 318.276 -0.444 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000653336557 411812534 /nfs/dbraw/zinc/81/25/34/411812534.db2.gz HDSNYJXLHRYKSK-QWRGUYRKSA-N -1 0 313.354 -0.565 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)CCC(=O)NCCNC(C)=O ZINC000653341494 411815565 /nfs/dbraw/zinc/81/55/65/411815565.db2.gz FOUAFXLDEKTRLP-SNVBAGLBSA-N -1 0 301.343 -0.660 20 0 DBADRM Cc1cc(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n(C)n1 ZINC000659403789 411821057 /nfs/dbraw/zinc/82/10/57/411821057.db2.gz XDVCHNSSQGNQAO-QMTHXVAHSA-N -1 0 308.338 -0.029 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000659402905 411821395 /nfs/dbraw/zinc/82/13/95/411821395.db2.gz AIDUAJOSXKWJIP-DLVJRCHESA-N -1 0 311.338 -0.617 20 0 DBADRM COCC[C@H](COC)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659405375 411822066 /nfs/dbraw/zinc/82/20/66/411822066.db2.gz XIFYADBXJPOWOJ-JTNHKYCSSA-N -1 0 316.354 -0.220 20 0 DBADRM C[C@@](CCF)(NC(=O)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000659215364 411822085 /nfs/dbraw/zinc/82/20/85/411822085.db2.gz MHDQDZDHRVZDPP-NSHDSACASA-N -1 0 310.347 -0.269 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659423633 411825342 /nfs/dbraw/zinc/82/53/42/411825342.db2.gz UZHHMXVGYVVOPT-VIFPVBQESA-N -1 0 319.383 -0.296 20 0 DBADRM CC(C)[C@@H](CNC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)[O-] ZINC000655560487 411834900 /nfs/dbraw/zinc/83/49/00/411834900.db2.gz WGEMQPHOSABXKF-SNVBAGLBSA-N -1 0 310.354 -0.146 20 0 DBADRM COc1cc(C(=O)NC[C@H](C)C(=O)[O-])sc1S(N)(=O)=O ZINC000655561045 411835062 /nfs/dbraw/zinc/83/50/62/411835062.db2.gz ZLLLYFYSZKFJLF-YFKPBYRVSA-N -1 0 322.364 -0.145 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000659243300 411836197 /nfs/dbraw/zinc/83/61/97/411836197.db2.gz AKJUBHWFMYXVOR-OPRDCNLKSA-N -1 0 304.368 -0.220 20 0 DBADRM COC[C@@H](NC(=O)C(=O)NCCC(=O)[O-])C1CCOCC1 ZINC000659659038 411859048 /nfs/dbraw/zinc/85/90/48/411859048.db2.gz OXMJOOBXVWFHBV-SNVBAGLBSA-N -1 0 302.327 -0.865 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000659660565 411859096 /nfs/dbraw/zinc/85/90/96/411859096.db2.gz LFUBGBPUBRXBJI-HBNTYKKESA-N -1 0 314.338 -0.770 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC000659665929 411859472 /nfs/dbraw/zinc/85/94/72/411859472.db2.gz WBIIAGVGRYDIPR-UHFFFAOYSA-N -1 0 320.349 -0.185 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1cscn1 ZINC000659665941 411859551 /nfs/dbraw/zinc/85/95/51/411859551.db2.gz ZOLOKKKVFCVQKS-CBAPKCEASA-N -1 0 313.335 -0.368 20 0 DBADRM C[C@@]12COC[C@H]1CN(C(=O)C(=O)NCC1(C(=O)[O-])CCC1)C2 ZINC000659671631 411859929 /nfs/dbraw/zinc/85/99/29/411859929.db2.gz HGCIIIGZFHCIIU-QMTHXVAHSA-N -1 0 310.350 -0.148 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C[C@@H]1OC ZINC000659668087 411860070 /nfs/dbraw/zinc/86/00/70/411860070.db2.gz SKYKXACVQPEJGQ-AOOOYVTPSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@@]12COC[C@@H]1CN(C(=O)C(=O)NCC1(C(=O)[O-])CCC1)C2 ZINC000659671630 411860091 /nfs/dbraw/zinc/86/00/91/411860091.db2.gz HGCIIIGZFHCIIU-IINYFYTJSA-N -1 0 310.350 -0.148 20 0 DBADRM CO[C@H](C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC000659761320 411886451 /nfs/dbraw/zinc/88/64/51/411886451.db2.gz FRRMCFORZBFZGJ-WCQGTBRESA-N -1 0 316.354 -0.524 20 0 DBADRM C[C@@H]1CN(C(=O)CC(C)(C)C(=O)[O-])CCN1S(C)(=O)=O ZINC000659200491 411897694 /nfs/dbraw/zinc/89/76/94/411897694.db2.gz ZYOOSVVYBLPOBJ-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC000402581823 411914899 /nfs/dbraw/zinc/91/48/99/411914899.db2.gz UJEGTOSLHIDNIV-PRHODGIISA-N -1 0 306.322 -0.327 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC000402581824 411914956 /nfs/dbraw/zinc/91/49/56/411914956.db2.gz UJEGTOSLHIDNIV-QPUJVOFHSA-N -1 0 306.322 -0.327 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)NCCNS(C)(=O)=O)CC1 ZINC000062843198 411929135 /nfs/dbraw/zinc/92/91/35/411929135.db2.gz QJBVCGUKXQHJDJ-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@H](C(=O)[O-])c2ccnn2C)CC1=O ZINC000402821098 411929386 /nfs/dbraw/zinc/92/93/86/411929386.db2.gz MJFIGGMNDQMXLM-SKDRFNHKSA-N -1 0 324.337 -0.843 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(c2cncc(F)c2)CC1 ZINC000655033893 411964160 /nfs/dbraw/zinc/96/41/60/411964160.db2.gz KEMKNXXOJZCYHC-UHFFFAOYSA-N -1 0 320.284 -0.221 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655863787 411974674 /nfs/dbraw/zinc/97/46/74/411974674.db2.gz PQBNEEDIECGAQW-VIFPVBQESA-N -1 0 309.388 -0.322 20 0 DBADRM C[C@H](CNC(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000655871552 411974969 /nfs/dbraw/zinc/97/49/69/411974969.db2.gz GOCMRBXMIOZCEA-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H](CNC(=O)NCc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000655864409 411975197 /nfs/dbraw/zinc/97/51/97/411975197.db2.gz YNTINXSUVPVTJS-MRVPVSSYSA-N -1 0 315.351 -0.146 20 0 DBADRM C[C@@H](CNC(=O)NCCS(=O)(=O)NC(C)(C)C)C(=O)[O-] ZINC000655864460 411975201 /nfs/dbraw/zinc/97/52/01/411975201.db2.gz ZSJQGJKZVZTOCW-QMMMGPOBSA-N -1 0 309.388 -0.276 20 0 DBADRM COCCNC(=O)C1CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000655889686 411975696 /nfs/dbraw/zinc/97/56/96/411975696.db2.gz YBXUIEIANCAVQN-SNVBAGLBSA-N -1 0 315.370 -0.109 20 0 DBADRM CC(C)[C@H](CNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)C(=O)[O-] ZINC000655872735 411975820 /nfs/dbraw/zinc/97/58/20/411975820.db2.gz PJWPZVOEPGEIJJ-LPEHRKFASA-N -1 0 301.343 -0.325 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CCO1 ZINC000655895462 411975845 /nfs/dbraw/zinc/97/58/45/411975845.db2.gz SZQADUHUPMMWDF-ZJUUUORDSA-N -1 0 301.343 -0.500 20 0 DBADRM C[C@H](CNC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000655877208 411975859 /nfs/dbraw/zinc/97/58/59/411975859.db2.gz YFYLHEUTSXLQOH-KXUCPTDWSA-N -1 0 321.399 -0.276 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CCO1 ZINC000655892640 411975874 /nfs/dbraw/zinc/97/58/74/411975874.db2.gz DCKOTTAWYZASHK-RYUDHWBXSA-N -1 0 315.370 -0.110 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)C(=O)[O-] ZINC000655894900 411976026 /nfs/dbraw/zinc/97/60/26/411976026.db2.gz OGLYCGJGUSJTDP-DTWKUNHWSA-N -1 0 312.326 -0.711 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655880998 411976270 /nfs/dbraw/zinc/97/62/70/411976270.db2.gz ZXFHNHDAUYZTIY-ZJUUUORDSA-N -1 0 323.415 -0.030 20 0 DBADRM C[C@H](CNC(=O)NCc1ccccc1S(N)(=O)=O)C(=O)[O-] ZINC000655880091 411976382 /nfs/dbraw/zinc/97/63/82/411976382.db2.gz WCSXLDKGCQJJOU-MRVPVSSYSA-N -1 0 315.351 -0.146 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)C(=O)[O-] ZINC000655894902 411976427 /nfs/dbraw/zinc/97/64/27/411976427.db2.gz OGLYCGJGUSJTDP-RKDXNWHRSA-N -1 0 312.326 -0.711 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](C)C(=O)[O-])CC2 ZINC000655874249 411976494 /nfs/dbraw/zinc/97/64/94/411976494.db2.gz WJECKDHAROFQDK-IUCAKERBSA-N -1 0 311.342 -0.241 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000655887361 411976580 /nfs/dbraw/zinc/97/65/80/411976580.db2.gz LVHWIUYRMWIYBN-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@@H](CNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000655874094 411976752 /nfs/dbraw/zinc/97/67/52/411976752.db2.gz ZSISOKMZVPNTMN-IUCAKERBSA-N -1 0 307.372 -0.712 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CC[C@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000655897279 411978249 /nfs/dbraw/zinc/97/82/49/411978249.db2.gz MEUSDNSETBAAGI-DTWKUNHWSA-N -1 0 307.372 -0.584 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CCC[C@@H]1CS(N)(=O)=O)C(=O)[O-] ZINC000655898380 411978732 /nfs/dbraw/zinc/97/87/32/411978732.db2.gz VGQGFTGDDGGBPS-ZJUUUORDSA-N -1 0 321.399 -0.194 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)ncn1 ZINC000655948355 411980026 /nfs/dbraw/zinc/98/00/26/411980026.db2.gz WILSPZOEZTVXNM-QMMMGPOBSA-N -1 0 310.310 -0.103 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC000655943409 411980903 /nfs/dbraw/zinc/98/09/03/411980903.db2.gz OAXNDESTJNWGJL-SSDOTTSWSA-N -1 0 321.289 -0.207 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)Cn1cncn1)C(=O)[O-] ZINC000655983085 411981262 /nfs/dbraw/zinc/98/12/62/411981262.db2.gz FMQFOGZYZSNWPN-NXEZZACHSA-N -1 0 311.342 -0.744 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1C ZINC000655983333 411981483 /nfs/dbraw/zinc/98/14/83/411981483.db2.gz BKJUZCOCABWXLK-QMMMGPOBSA-N -1 0 310.354 -0.027 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CCCc2c1cnn2C)C(=O)[O-] ZINC000655982563 411981556 /nfs/dbraw/zinc/98/15/56/411981556.db2.gz WUGCAKTVYHYFLI-WPRPVWTQSA-N -1 0 308.338 -0.249 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCCOC[C@H]1CCCO1)C(=O)[O-] ZINC000655978874 411982319 /nfs/dbraw/zinc/98/23/19/411982319.db2.gz WGMZMPUIAVGWQF-GHMZBOCLSA-N -1 0 316.354 -0.475 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)Cn1cccn1)C(=O)[O-] ZINC000655979644 411982462 /nfs/dbraw/zinc/98/24/62/411982462.db2.gz JSOYTKLKWLBRPV-QWRGUYRKSA-N -1 0 310.354 -0.139 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1cn2ccsc2n1)C(=O)[O-] ZINC000655977262 411982493 /nfs/dbraw/zinc/98/24/93/411982493.db2.gz GGWVEVQMSQHMMG-ZETCQYMHSA-N -1 0 310.335 -0.151 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCOCC(F)F)C(=O)[O-] ZINC000655996786 411983055 /nfs/dbraw/zinc/98/30/55/411983055.db2.gz XDWDIVYGVQJZRJ-QMMMGPOBSA-N -1 0 310.297 -0.143 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000655986349 411983463 /nfs/dbraw/zinc/98/34/63/411983463.db2.gz CIKFAPABRWIMGF-BDAKNGLRSA-N -1 0 322.383 -0.991 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCOC[C@H]1c1ccnn1C)C(=O)[O-] ZINC000656000052 411983982 /nfs/dbraw/zinc/98/39/82/411983982.db2.gz QTMUYHNCEOBMDB-KOLCDFICSA-N -1 0 324.337 -0.843 20 0 DBADRM CC[C@]1(CO)CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000656002202 411984459 /nfs/dbraw/zinc/98/44/59/411984459.db2.gz WOXLECRTBSNECY-YGRLFVJLSA-N -1 0 300.355 -0.166 20 0 DBADRM CC[C@@]1(CO)CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000656002201 411984683 /nfs/dbraw/zinc/98/46/83/411984683.db2.gz WOXLECRTBSNECY-QMTHXVAHSA-N -1 0 300.355 -0.166 20 0 DBADRM COCCO[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000656003021 411984750 /nfs/dbraw/zinc/98/47/50/411984750.db2.gz AZOFEBWPQKLISY-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656005405 411984867 /nfs/dbraw/zinc/98/48/67/411984867.db2.gz ZOPIOAKEUOADLR-DCAQKATOSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(CCCO)Cc1ccccn1)C(=O)[O-] ZINC000656001887 411984931 /nfs/dbraw/zinc/98/49/31/411984931.db2.gz OTZSUSJDJBNSFL-LLVKDONJSA-N -1 0 323.349 -0.371 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCN1CCCC1=O)C(=O)[O-] ZINC000655998734 411985175 /nfs/dbraw/zinc/98/51/75/411985175.db2.gz WRHHIPAOBVFMDV-JTQLQIEISA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@H](Cn2ccnn2)C1)C(=O)[O-] ZINC000656001139 411985206 /nfs/dbraw/zinc/98/52/06/411985206.db2.gz ZKDDHKZSDLNAOU-GHMZBOCLSA-N -1 0 323.353 -0.646 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCN1CCCC1=O)C(=O)[O-] ZINC000655998735 411985531 /nfs/dbraw/zinc/98/55/31/411985531.db2.gz WRHHIPAOBVFMDV-SNVBAGLBSA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O)C(=O)[O-] ZINC000655998943 411985637 /nfs/dbraw/zinc/98/56/37/411985637.db2.gz YYCUDBCGWDUAGC-DTWKUNHWSA-N -1 0 313.354 -0.661 20 0 DBADRM COCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC000655999247 411985758 /nfs/dbraw/zinc/98/57/58/411985758.db2.gz CWPNHXGRICRNOH-VHSXEESVSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C[C@@H](C)O1 ZINC000655999722 411985970 /nfs/dbraw/zinc/98/59/70/411985970.db2.gz IZWHGBIGFYYGLW-AEJSXWLSSA-N -1 0 302.327 -0.914 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](n2cncn2)C1)C(=O)[O-] ZINC000656010715 411986545 /nfs/dbraw/zinc/98/65/45/411986545.db2.gz PJAAEWWMPNFIKO-QWRGUYRKSA-N -1 0 323.353 -0.476 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000656013852 411986571 /nfs/dbraw/zinc/98/65/71/411986571.db2.gz QIOMLYGVPXDIAZ-SNVBAGLBSA-N -1 0 301.343 -0.898 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1)C(=O)[O-] ZINC000656009094 411986628 /nfs/dbraw/zinc/98/66/28/411986628.db2.gz RLQGCTUNIDPUGX-LKFCYVNXSA-N -1 0 313.354 -0.817 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N(C)CCc1cnccn1)C(=O)[O-] ZINC000656011877 411987023 /nfs/dbraw/zinc/98/70/23/411987023.db2.gz TWWUPJBRUSEXDE-GFCCVEGCSA-N -1 0 322.365 -0.050 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCn2ncnc2C1)C(=O)[O-] ZINC000656011063 411987134 /nfs/dbraw/zinc/98/71/34/411987134.db2.gz IHULZSRQXKXKQL-VIFPVBQESA-N -1 0 309.326 -0.907 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@](C)(C(N)=O)C1)C(=O)[O-] ZINC000656009096 411987249 /nfs/dbraw/zinc/98/72/49/411987249.db2.gz RLQGCTUNIDPUGX-XPTSAGLGSA-N -1 0 313.354 -0.817 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000656007742 411987368 /nfs/dbraw/zinc/98/73/68/411987368.db2.gz MESLSKSWCROQLU-BDAKNGLRSA-N -1 0 322.383 -0.895 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2)C(=O)[O-] ZINC000656012961 411988385 /nfs/dbraw/zinc/98/83/85/411988385.db2.gz JUZUXLMPUNZBPK-OUAUKWLOSA-N -1 0 314.338 -0.914 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCn2cnnc2[C@H]1C)C(=O)[O-] ZINC000656012973 411989232 /nfs/dbraw/zinc/98/92/32/411989232.db2.gz KICSYXVTYWVCLU-ZJUUUORDSA-N -1 0 323.353 -0.346 20 0 DBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1ccc2c(c1)C(=O)CC2 ZINC000656156977 411997055 /nfs/dbraw/zinc/99/70/55/411997055.db2.gz YTGGTTGAKCCNJG-NSHDSACASA-N -1 0 313.331 -0.071 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])cn1C ZINC000656162808 411997556 /nfs/dbraw/zinc/99/75/56/411997556.db2.gz JBFGAFVTOLYRFN-MRVPVSSYSA-N -1 0 321.330 -0.524 20 0 DBADRM CO[C@H](C[C@H](NS(=O)(=O)c1ccnn1C)C(=O)[O-])C1CC1 ZINC000656169078 411998613 /nfs/dbraw/zinc/99/86/13/411998613.db2.gz NRCGAMXWTKVSGF-VHSXEESVSA-N -1 0 317.367 -0.033 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](C[C@@H](OC)C1CC1)C(=O)[O-] ZINC000656169379 411998804 /nfs/dbraw/zinc/99/88/04/411998804.db2.gz OGMBIFNTVZNAPG-WDEREUQCSA-N -1 0 324.399 -0.333 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@@H](C)C(=O)[O-] ZINC000656232460 411999293 /nfs/dbraw/zinc/99/92/93/411999293.db2.gz ZSCZTEQEHXFGNV-ZCFIWIBFSA-N -1 0 306.326 -0.297 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC000656248079 412000304 /nfs/dbraw/zinc/00/03/04/412000304.db2.gz ZPCSENKLYYXALI-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM C[C@@H](CC(F)(F)F)CS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000656509704 412007067 /nfs/dbraw/zinc/00/70/67/412007067.db2.gz XLRSEEFYNWVMSR-NTSWFWBYSA-N -1 0 320.289 -0.177 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2cnnn2C)C[C@@H]1CC(=O)[O-] ZINC000656521613 412007333 /nfs/dbraw/zinc/00/73/33/412007333.db2.gz OMMBZGSXTPDWPY-IUCAKERBSA-N -1 0 302.356 -0.064 20 0 DBADRM COC1CCN(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])CC1 ZINC000656512605 412007387 /nfs/dbraw/zinc/00/73/87/412007387.db2.gz NTHPSZMPUYSNHX-VIFPVBQESA-N -1 0 310.397 -0.199 20 0 DBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N1CCC(OC)CC1 ZINC000656513931 412007451 /nfs/dbraw/zinc/00/74/51/412007451.db2.gz GEVROLWKFCCNGX-JTQLQIEISA-N -1 0 324.399 -0.237 20 0 DBADRM C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000656509712 412007480 /nfs/dbraw/zinc/00/74/80/412007480.db2.gz XLRSEEFYNWVMSR-PHDIDXHHSA-N -1 0 320.289 -0.177 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2cnnn2C)C[C@H]1CC(=O)[O-] ZINC000656521612 412007954 /nfs/dbraw/zinc/00/79/54/412007954.db2.gz OMMBZGSXTPDWPY-DTWKUNHWSA-N -1 0 302.356 -0.064 20 0 DBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)CCC[C@@H]1CCOC1 ZINC000656563946 412008587 /nfs/dbraw/zinc/00/85/87/412008587.db2.gz ZAWUDBOHBKSIHO-GHMZBOCLSA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)c1cncc(F)c1)C2 ZINC000656562567 412008860 /nfs/dbraw/zinc/00/88/60/412008860.db2.gz SZTHKWXSLINGCM-PRHODGIISA-N -1 0 316.310 -0.058 20 0 DBADRM Cn1cccc1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656564280 412009108 /nfs/dbraw/zinc/00/91/08/412009108.db2.gz HZAULZHGNGRFIN-BXKDBHETSA-N -1 0 300.336 -0.253 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])[C@H]1CCOC1 ZINC000656562577 412009443 /nfs/dbraw/zinc/00/94/43/412009443.db2.gz LAZMTKTXUSVNDT-HBNTYKKESA-N -1 0 307.368 -0.083 20 0 DBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)CCC[C@H]1CCOC1 ZINC000656563949 412009480 /nfs/dbraw/zinc/00/94/80/412009480.db2.gz ZAWUDBOHBKSIHO-WDEREUQCSA-N -1 0 307.368 -0.082 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N[C@@](C)(CCF)C(=O)[O-] ZINC000656579028 412010450 /nfs/dbraw/zinc/01/04/50/412010450.db2.gz NCQBOMYTEFZLHA-JTQLQIEISA-N -1 0 313.351 -0.572 20 0 DBADRM COC[C@H](CCNC(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1)OC ZINC000656589270 412010496 /nfs/dbraw/zinc/01/04/96/412010496.db2.gz ZQOQVUQIUCKKAB-GXSJLCMTSA-N -1 0 314.342 -0.104 20 0 DBADRM COC[C@H](CCNC(=O)N[C@H](C(=O)[O-])c1ccn(C)n1)OC ZINC000656589273 412010502 /nfs/dbraw/zinc/01/05/02/412010502.db2.gz ZQOQVUQIUCKKAB-ONGXEEELSA-N -1 0 314.342 -0.104 20 0 DBADRM C[C@H]1C[C@H](S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC000656564355 412010746 /nfs/dbraw/zinc/01/07/46/412010746.db2.gz KFZZMIBEFQBBEG-SBFPOUOMSA-N -1 0 319.379 -0.083 20 0 DBADRM COC[C@@H](CCNC(=O)N[C@H](C(=O)[O-])c1ccn(C)n1)OC ZINC000656589271 412011348 /nfs/dbraw/zinc/01/13/48/412011348.db2.gz ZQOQVUQIUCKKAB-KOLCDFICSA-N -1 0 314.342 -0.104 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NCc1nc(C(N)=O)cs1 ZINC000656598314 412011353 /nfs/dbraw/zinc/01/13/53/412011353.db2.gz VISUXAPVKRRILG-UHFFFAOYSA-N -1 0 316.339 -0.515 20 0 DBADRM CS(=O)(=O)c1nnc(CN2CC3CC2(C(=O)[O-])C3)s1 ZINC000656761827 412011906 /nfs/dbraw/zinc/01/19/06/412011906.db2.gz UUCCRKNWHZEAHM-UHFFFAOYSA-N -1 0 303.365 -0.009 20 0 DBADRM COCCN1CN(S(=O)(=O)c2ccccc2[O-])CC1=O ZINC000656982946 412020969 /nfs/dbraw/zinc/02/09/69/412020969.db2.gz NMPDRCXOGMTXPN-UHFFFAOYSA-N -1 0 300.336 -0.171 20 0 DBADRM C[C@@](CCF)(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000656726114 412012177 /nfs/dbraw/zinc/01/21/77/412012177.db2.gz ZPNBQZZBBUGAJV-VIFPVBQESA-N -1 0 319.376 -0.457 20 0 DBADRM CCn1cc(CNS(=O)(=O)c2cncc(C(=O)[O-])c2)nn1 ZINC000656722227 412012323 /nfs/dbraw/zinc/01/23/23/412012323.db2.gz PZNIDXLDBKDZGR-UHFFFAOYSA-N -1 0 311.323 -0.130 20 0 DBADRM COCc1nccc([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)n1 ZINC000656742404 412012347 /nfs/dbraw/zinc/01/23/47/412012347.db2.gz OLZLFOBSCFZZJR-QMMMGPOBSA-N -1 0 302.356 -0.159 20 0 DBADRM COC[C@@H](CCNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)OC ZINC000656717305 412012413 /nfs/dbraw/zinc/01/24/13/412012413.db2.gz MRWYLDSVBUWNEM-WDEREUQCSA-N -1 0 324.399 -0.331 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cccc2c1OCO2 ZINC000656716475 412012440 /nfs/dbraw/zinc/01/24/40/412012440.db2.gz GKFMPBRCSVVSMD-OIBJUYFYSA-N -1 0 315.303 -0.064 20 0 DBADRM C[C@]12COC[C@H]1CN(S(=O)(=O)c1cnn(CC(=O)[O-])c1)C2 ZINC000656727197 412012483 /nfs/dbraw/zinc/01/24/83/412012483.db2.gz GWFBUTWNVUFFBY-SKDRFNHKSA-N -1 0 315.351 -0.375 20 0 DBADRM CN(C[C@@H]1COCCO1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000656720855 412012486 /nfs/dbraw/zinc/01/24/86/412012486.db2.gz DXBSOSXQUDQWGV-WDEREUQCSA-N -1 0 322.383 -0.625 20 0 DBADRM COC[C@@H](CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1)OC ZINC000656717092 412012583 /nfs/dbraw/zinc/01/25/83/412012583.db2.gz KENGLMUMWKFKSC-LLVKDONJSA-N -1 0 324.399 -0.331 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCO[C@H]1CC1(F)F ZINC000656719295 412012640 /nfs/dbraw/zinc/01/26/40/412012640.db2.gz HRRGLDHADJYDBB-LURJTMIESA-N -1 0 311.266 -0.190 20 0 DBADRM CN(C[C@H]1COCCO1)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000656721238 412012703 /nfs/dbraw/zinc/01/27/03/412012703.db2.gz JANAMUZXPPJURO-VIFPVBQESA-N -1 0 316.335 -0.184 20 0 DBADRM CN(C[C@H]1COCCO1)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC000656722004 412012739 /nfs/dbraw/zinc/01/27/39/412012739.db2.gz ZXEAWVAHJWKCCT-JTQLQIEISA-N -1 0 316.335 -0.184 20 0 DBADRM C[C@]12COC[C@@H]1CN(S(=O)(=O)N1CCC[C@@H]1C(=O)[O-])C2 ZINC000656730746 412012779 /nfs/dbraw/zinc/01/27/79/412012779.db2.gz RMYWWVMFOYJXOZ-UMNHJUIQSA-N -1 0 304.368 -0.252 20 0 DBADRM Nc1cccc(CC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000656854999 412013574 /nfs/dbraw/zinc/01/35/74/412013574.db2.gz HKDGSYUHKQNXCX-NSHDSACASA-N -1 0 312.347 -0.479 20 0 DBADRM CN(CCCNS(=O)(=O)c1ccccc1[O-])S(C)(=O)=O ZINC000656873607 412015365 /nfs/dbraw/zinc/01/53/65/412015365.db2.gz CTPNMNCGCKAAGL-UHFFFAOYSA-N -1 0 322.408 -0.048 20 0 DBADRM CC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccccc2[O-])CCO1 ZINC000656903994 412015654 /nfs/dbraw/zinc/01/56/54/412015654.db2.gz HKZDHVSSSWKFNA-LLVKDONJSA-N -1 0 314.363 -0.082 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000654772325 411950570 /nfs/dbraw/zinc/95/05/70/411950570.db2.gz PLRHZFLQGREORY-AWEZNQCLSA-N -1 0 300.322 -0.336 20 0 DBADRM O=S(=O)(NC[C@]1(O)CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000657000249 412022411 /nfs/dbraw/zinc/02/24/11/412022411.db2.gz YVRMARYUTDQBRZ-LLVKDONJSA-N -1 0 321.376 -0.780 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000659055654 412076606 /nfs/dbraw/zinc/07/66/06/412076606.db2.gz ZSMYIPXZSGPXKQ-SCZZXKLOSA-N -1 0 307.306 -0.005 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659055237 412076629 /nfs/dbraw/zinc/07/66/29/412076629.db2.gz FPSUOQOXYIOOIP-UHFFFAOYSA-N -1 0 322.321 -0.393 20 0 DBADRM CCOC1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000659060954 412076650 /nfs/dbraw/zinc/07/66/50/412076650.db2.gz OKTUSTJDAPUJGL-UHFFFAOYSA-N -1 0 324.337 -0.111 20 0 DBADRM CC1(C)[C@@H](O)C[C@@H]1NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659059096 412076867 /nfs/dbraw/zinc/07/68/67/412076867.db2.gz PVSXQGMGHOCOGF-IUCAKERBSA-N -1 0 307.306 -0.006 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC(=O)N1C ZINC000659060481 412076968 /nfs/dbraw/zinc/07/69/68/412076968.db2.gz XSLBCPZTPWFFLG-MRVPVSSYSA-N -1 0 320.305 -0.593 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000659059477 412077125 /nfs/dbraw/zinc/07/71/25/412077125.db2.gz QXRIHLNIZBTMNP-DTORHVGOSA-N -1 0 321.289 -0.656 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@@H]1O ZINC000659059091 412077141 /nfs/dbraw/zinc/07/71/41/412077141.db2.gz PVSXQGMGHOCOGF-BDAKNGLRSA-N -1 0 307.306 -0.006 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C[C@H]1O ZINC000659055413 412077232 /nfs/dbraw/zinc/07/72/32/412077232.db2.gz HEDOKXYCYUUNOV-RKDXNWHRSA-N -1 0 324.337 -0.520 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C[C@H]1O ZINC000659055401 412077285 /nfs/dbraw/zinc/07/72/85/412077285.db2.gz HEDOKXYCYUUNOV-DTWKUNHWSA-N -1 0 324.337 -0.520 20 0 DBADRM CCOCCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659050935 412077354 /nfs/dbraw/zinc/07/73/54/412077354.db2.gz PCMLRIJFQOOQHD-UHFFFAOYSA-N -1 0 312.326 -0.206 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCCOCC2)n1 ZINC000659051146 412076262 /nfs/dbraw/zinc/07/62/62/412076262.db2.gz FNOWEELZYRHLIW-UHFFFAOYSA-N -1 0 324.337 -0.110 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC[C@H]1O ZINC000659059157 412076438 /nfs/dbraw/zinc/07/64/38/412076438.db2.gz RJXVGKUMCVNVNH-WCBMZHEXSA-N -1 0 307.306 -0.052 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])S1(=O)=O ZINC000659243925 412083004 /nfs/dbraw/zinc/08/30/04/412083004.db2.gz XEOSOMWVIJKSTL-KBVBSXBZSA-N -1 0 304.368 -0.220 20 0 DBADRM CNC(=O)c1ccc(C)c(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000659065328 412078741 /nfs/dbraw/zinc/07/87/41/412078741.db2.gz VNQZOTMBMQQXTA-MRVPVSSYSA-N -1 0 307.306 -0.118 20 0 DBADRM CNC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c1C ZINC000659063812 412078752 /nfs/dbraw/zinc/07/87/52/412078752.db2.gz GAEIIKYOJGLZIY-MRVPVSSYSA-N -1 0 307.306 -0.118 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)Cn1nnc2ccccc2c1=O ZINC000659171114 412081003 /nfs/dbraw/zinc/08/10/03/412081003.db2.gz IDKOVUKDXXJBQD-CMPLNLGQSA-N -1 0 318.289 -0.850 20 0 DBADRM COC[C@H](OC)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000659143916 412081273 /nfs/dbraw/zinc/08/12/73/412081273.db2.gz QBCXROMMMSJNQO-QWRGUYRKSA-N -1 0 316.354 -0.571 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C1(n2cnnn2)CC1 ZINC000659116099 412081355 /nfs/dbraw/zinc/08/13/55/412081355.db2.gz QKJFFQIDUAWNII-LLVKDONJSA-N -1 0 301.306 -0.026 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)CN1CCCS1(=O)=O)C1CC1 ZINC000659211278 412081968 /nfs/dbraw/zinc/08/19/68/412081968.db2.gz WSMYKIMKXAONAW-JTQLQIEISA-N -1 0 304.368 -0.361 20 0 DBADRM CN1CC(=O)N(CCN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC000660558000 412141318 /nfs/dbraw/zinc/14/13/18/412141318.db2.gz PSFBLADXDLJXED-VIFPVBQESA-N -1 0 308.342 -0.416 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659423631 412086689 /nfs/dbraw/zinc/08/66/89/412086689.db2.gz UZHHMXVGYVVOPT-SECBINFHSA-N -1 0 319.383 -0.296 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659422867 412086778 /nfs/dbraw/zinc/08/67/78/412086778.db2.gz MYPINOJBUMNYEF-MRVPVSSYSA-N -1 0 305.356 -0.686 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCCCC(=O)[O-])C[C@H]21 ZINC000659405917 412086894 /nfs/dbraw/zinc/08/68/94/412086894.db2.gz HMYLDONEHJWSHQ-AEJSXWLSSA-N -1 0 320.367 -0.695 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659401122 412086952 /nfs/dbraw/zinc/08/69/52/412086952.db2.gz FKFBCRCNKDNHSM-UHFFFAOYSA-N -1 0 319.383 -0.568 20 0 DBADRM Cc1c(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cnn1C ZINC000659399930 412086978 /nfs/dbraw/zinc/08/69/78/412086978.db2.gz INDDKXGADKXYSR-BXUZGUMPSA-N -1 0 308.338 -0.029 20 0 DBADRM CN(CCCNC(=O)NCC1(C(=O)[O-])CCC1)S(C)(=O)=O ZINC000659394615 412087263 /nfs/dbraw/zinc/08/72/63/412087263.db2.gz UGFUDGWLVQSIQA-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000659409024 412087276 /nfs/dbraw/zinc/08/72/76/412087276.db2.gz XKPIVVWCFDJNNH-DTWKUNHWSA-N -1 0 322.383 -0.402 20 0 DBADRM COC[C@@H](CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)OC ZINC000659405214 412087392 /nfs/dbraw/zinc/08/73/92/412087392.db2.gz ZXAVDADEXZURAB-GIPNMCIBSA-N -1 0 302.327 -0.610 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NC[C@H]1CCCNC1=O)C2 ZINC000659406481 412087612 /nfs/dbraw/zinc/08/76/12/412087612.db2.gz RQVNMGDPWFAIOY-GPCCPHFNSA-N -1 0 311.338 -0.745 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCc1ccco1)C2 ZINC000659644797 412097562 /nfs/dbraw/zinc/09/75/62/412097562.db2.gz SAHSEIOBTMWXNO-MEBBXXQBSA-N -1 0 322.317 -0.502 20 0 DBADRM Cc1ocnc1CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659654494 412098543 /nfs/dbraw/zinc/09/85/43/412098543.db2.gz OEFOSZBDEIJFHK-YMTOWFKASA-N -1 0 323.305 -0.841 20 0 DBADRM Cc1noc([C@@H](C)NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC000659650846 412098563 /nfs/dbraw/zinc/09/85/63/412098563.db2.gz NXQKDOFXENYNQE-SSDOTTSWSA-N -1 0 310.310 -0.074 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C1CCC1 ZINC000659653795 412098599 /nfs/dbraw/zinc/09/85/99/412098599.db2.gz WPZLYFMDKLOAED-XDMRBOTDSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)CCC1 ZINC000659649645 412098947 /nfs/dbraw/zinc/09/89/47/412098947.db2.gz YZPNMVMXUKXKHO-SNVBAGLBSA-N -1 0 320.349 -0.246 20 0 DBADRM C[C@]1(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)CCC(=O)N1 ZINC000659654717 412099224 /nfs/dbraw/zinc/09/92/24/412099224.db2.gz AIAMSJNKKXAQFU-CYBMUJFWSA-N -1 0 311.338 -0.858 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)C(=O)NCCCCCC(=O)[O-] ZINC000659655824 412099385 /nfs/dbraw/zinc/09/93/85/412099385.db2.gz NLBGNPNITYVGOO-NSHDSACASA-N -1 0 316.354 -0.379 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CCO)C(=O)[O-] ZINC000659663009 412099851 /nfs/dbraw/zinc/09/98/51/412099851.db2.gz WEVKBFUAQGSSQE-HBNTYKKESA-N -1 0 300.355 -0.167 20 0 DBADRM CN1c2ccccc2C[C@@H](NC(=O)C(=O)NCCC(=O)[O-])C1=O ZINC000659658768 412100049 /nfs/dbraw/zinc/10/00/49/412100049.db2.gz MDXXVDAMVHAOHX-SNVBAGLBSA-N -1 0 319.317 -0.719 20 0 DBADRM CN1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])CCC1=O ZINC000659656827 412100202 /nfs/dbraw/zinc/10/02/02/412100202.db2.gz WMUJLTGWTDYBQG-UHFFFAOYSA-N -1 0 313.354 -0.562 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1c(C2CC2)cnn1C)C(=O)[O-] ZINC000659661727 412100438 /nfs/dbraw/zinc/10/04/38/412100438.db2.gz LEKDZUVTSDJXPY-MRVPVSSYSA-N -1 0 308.338 -0.249 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)nn1 ZINC000659665055 412100652 /nfs/dbraw/zinc/10/06/52/412100652.db2.gz UVCSAUINONOAMH-GXSJLCMTSA-N -1 0 323.353 -0.517 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC(CO)C1)CC(=O)[O-] ZINC000659664806 412100842 /nfs/dbraw/zinc/10/08/42/412100842.db2.gz DJZUYBOAJIZWTP-JTQLQIEISA-N -1 0 300.355 -0.310 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659669059 412101308 /nfs/dbraw/zinc/10/13/08/412101308.db2.gz DKRUEWCCZHTDAZ-UHFFFAOYSA-N -1 0 308.338 -0.250 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@H](n3cncn3)C2)CCC1 ZINC000659668535 412101925 /nfs/dbraw/zinc/10/19/25/412101925.db2.gz XOJWCQWEVFATFX-JTQLQIEISA-N -1 0 321.337 -0.577 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CCC1 ZINC000659671430 412102094 /nfs/dbraw/zinc/10/20/94/412102094.db2.gz ZZVAKPJWJXDJIM-NXEZZACHSA-N -1 0 323.349 -0.906 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)CCC1 ZINC000659670150 412102332 /nfs/dbraw/zinc/10/23/32/412102332.db2.gz ISTJLMNSFSBONG-CQSZACIVSA-N -1 0 323.349 -0.904 20 0 DBADRM C[C@@](O)(CNC(=O)c1cccc(Cn2ccnn2)c1)C(=O)[O-] ZINC000659765688 412122913 /nfs/dbraw/zinc/12/29/13/412122913.db2.gz JTUDIYDYDXEESR-CQSZACIVSA-N -1 0 304.306 -0.108 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000659779633 412124639 /nfs/dbraw/zinc/12/46/39/412124639.db2.gz JUHBAOQWLOUKFS-FIXISWKDSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1ccc3nncn3c1)C2 ZINC000659779869 412124865 /nfs/dbraw/zinc/12/48/65/412124865.db2.gz UGVIQLVBJPEDAH-QMTHXVAHSA-N -1 0 302.290 -0.098 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1cnn3cccnc13)C2 ZINC000659778553 412125143 /nfs/dbraw/zinc/12/51/43/412125143.db2.gz LFJKIVMJRNYCOZ-YMTOWFKASA-N -1 0 302.290 -0.098 20 0 DBADRM CO[C@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1cnn(C)c1 ZINC000659779420 412125275 /nfs/dbraw/zinc/12/52/75/412125275.db2.gz APEYYOASHCKNPP-UHIISALHSA-N -1 0 309.322 -0.333 20 0 DBADRM CNS(=O)(=O)c1ccc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)nc1 ZINC000662897895 412208670 /nfs/dbraw/zinc/20/86/70/412208670.db2.gz YZJBBLMJIGAQDC-SZEHBUNVSA-N -1 0 315.351 -0.374 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)[C@H](Nc2ccnc(N3CCOCC3)n2)C1 ZINC000662897060 412209318 /nfs/dbraw/zinc/20/93/18/412209318.db2.gz MVAHRBYEMKTWRR-HBNTYKKESA-N -1 0 308.338 -0.051 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(c2ccnc(C(=O)[O-])c2)CC1 ZINC000662886774 412209363 /nfs/dbraw/zinc/20/93/63/412209363.db2.gz NJKMPTKRUFVUBD-UHFFFAOYSA-N -1 0 314.367 -0.292 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC(F)(F)C1)C2 ZINC000662904508 412209393 /nfs/dbraw/zinc/20/93/93/412209393.db2.gz UWOJIAWXPAJMMC-PRHODGIISA-N -1 0 318.276 -0.586 20 0 DBADRM Cn1c(=O)cc(Nc2cnn(C(C)(C)C(=O)[O-])c2)n(C)c1=O ZINC000662896376 412210117 /nfs/dbraw/zinc/21/01/17/412210117.db2.gz WCNLWZALWYQYBG-UHFFFAOYSA-N -1 0 307.310 -0.156 20 0 DBADRM CC(C)[C@@H]1CCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662907779 412210512 /nfs/dbraw/zinc/21/05/12/412210512.db2.gz GBSFSPBQCMNHMZ-JRPNMDOOSA-N -1 0 310.350 -0.197 20 0 DBADRM C[C@@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000662912146 412210770 /nfs/dbraw/zinc/21/07/70/412210770.db2.gz IIRMYIHQOHPMJZ-QWRGUYRKSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N(C)C[C@H]1COCCO1)C(=O)[O-] ZINC000662913079 412210861 /nfs/dbraw/zinc/21/08/61/412210861.db2.gz JTASQKFJTWUKGQ-UWVGGRQHSA-N -1 0 302.327 -0.961 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)C1 ZINC000662913059 412211362 /nfs/dbraw/zinc/21/13/62/412211362.db2.gz JMXCOPVZJMBBMO-QWRGUYRKSA-N -1 0 321.337 -0.940 20 0 DBADRM C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000662914047 412211363 /nfs/dbraw/zinc/21/13/63/412211363.db2.gz WKEGVIQHBQJHMC-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@]1(C(F)F)CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CCO1 ZINC000662913523 412211429 /nfs/dbraw/zinc/21/14/29/412211429.db2.gz LZAPHXBBUFNQIM-SDBXPKJASA-N -1 0 320.292 -0.198 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@H]3C[C@H]3C1)C2 ZINC000662914519 412211933 /nfs/dbraw/zinc/21/19/33/412211933.db2.gz BFWZZMGMNMDQKU-KIGUWFBYSA-N -1 0 308.334 -0.586 20 0 DBADRM C[C@@H](O)CN(C)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000662915900 412212078 /nfs/dbraw/zinc/21/20/78/412212078.db2.gz PALRZWMNIBGXFM-SNVBAGLBSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000662917725 412212497 /nfs/dbraw/zinc/21/24/97/412212497.db2.gz XBSMTSKGEYTHDV-OUAUKWLOSA-N -1 0 314.338 -0.676 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N2CCS(=O)(=O)CC2)C1 ZINC000314485379 412152847 /nfs/dbraw/zinc/15/28/47/412152847.db2.gz JXVWLYMPNCQZCZ-LBPRGKRZSA-N -1 0 320.367 -0.740 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)N2CCS(=O)(=O)CC2)C1 ZINC000314485377 412154182 /nfs/dbraw/zinc/15/41/82/412154182.db2.gz JXVWLYMPNCQZCZ-GFCCVEGCSA-N -1 0 320.367 -0.740 20 0 DBADRM COCCN1C[C@H](C(=O)Nc2cnn(CC(=O)[O-])c2)CC1=O ZINC000315096199 412167293 /nfs/dbraw/zinc/16/72/93/412167293.db2.gz NDUHEQNQQLNHMB-SECBINFHSA-N -1 0 310.310 -0.599 20 0 DBADRM Cn1ccnc1-c1cc(NC(=O)CSc2n[nH]c(=O)[n-]2)n[nH]1 ZINC000376841235 412280547 /nfs/dbraw/zinc/28/05/47/412280547.db2.gz YYIUBKCEGMBCOJ-UHFFFAOYSA-N -1 0 320.338 0.365 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1cncc(-n2ccnn2)c1 ZINC000663028127 412223927 /nfs/dbraw/zinc/22/39/27/412223927.db2.gz QVFURJGNFNPSCF-LLVKDONJSA-N -1 0 303.278 -0.412 20 0 DBADRM Cc1cn2c(ncc(C(=O)N3CCOC[C@@H]3C(=O)[O-])c2=O)s1 ZINC000663028418 412223948 /nfs/dbraw/zinc/22/39/48/412223948.db2.gz SZJBDIKHCMWRRG-SECBINFHSA-N -1 0 323.330 -0.010 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000663038836 412223981 /nfs/dbraw/zinc/22/39/81/412223981.db2.gz DLLCOAZSEMKVDB-OAHLLOKOSA-N -1 0 321.333 -0.144 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000663027582 412223991 /nfs/dbraw/zinc/22/39/91/412223991.db2.gz NXZZYIXNTMZYAC-LLVKDONJSA-N -1 0 307.306 -0.491 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2C(=O)[O-])C1 ZINC000663026348 412224005 /nfs/dbraw/zinc/22/40/05/412224005.db2.gz MPYYHRCICDKGAY-ZJUUUORDSA-N -1 0 319.383 -0.632 20 0 DBADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000663022802 412224021 /nfs/dbraw/zinc/22/40/21/412224021.db2.gz OQGQSYZOEGHUSF-SECBINFHSA-N -1 0 321.399 -0.339 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC000663029611 412224088 /nfs/dbraw/zinc/22/40/88/412224088.db2.gz AMFNZQFKTJBXNK-UHFFFAOYSA-N -1 0 302.352 -0.489 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])nn1 ZINC000663025623 412224156 /nfs/dbraw/zinc/22/41/56/412224156.db2.gz BVEUNCHTVADMBR-JTQLQIEISA-N -1 0 324.337 -0.181 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000663033689 412224239 /nfs/dbraw/zinc/22/42/39/412224239.db2.gz CYZPFVSLHVCITB-WKEGUHRASA-N -1 0 312.244 -0.245 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000663063637 412225079 /nfs/dbraw/zinc/22/50/79/412225079.db2.gz LXBMELAOYQWYPS-NSHDSACASA-N -1 0 310.372 -0.690 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000663061665 412225101 /nfs/dbraw/zinc/22/51/01/412225101.db2.gz QMNZFBOYBHJGNI-SBMIAAHKSA-N -1 0 322.383 -0.690 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1 ZINC000663068115 412225122 /nfs/dbraw/zinc/22/51/22/412225122.db2.gz YRJBSEVKPFTMDB-HNNXBMFYSA-N -1 0 311.382 -0.105 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000663076292 412225263 /nfs/dbraw/zinc/22/52/63/412225263.db2.gz WUFDSKRHLZTIFW-OAHLLOKOSA-N -1 0 320.301 -0.112 20 0 DBADRM CC[C@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1)C(=O)[O-] ZINC000663061401 412225463 /nfs/dbraw/zinc/22/54/63/412225463.db2.gz TVTPSJKSHOMXPW-WCFLWFBJSA-N -1 0 321.333 -0.041 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663055240 412225502 /nfs/dbraw/zinc/22/55/02/412225502.db2.gz WVIQBVGNLRBSCJ-IUCAKERBSA-N -1 0 307.372 -0.919 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)c2ccc(OCC(=O)[O-])cc2)O1 ZINC000663063751 412225571 /nfs/dbraw/zinc/22/55/71/412225571.db2.gz YZFFJZSPJLBIND-NEPJUHHUSA-N -1 0 322.317 -0.087 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000663052312 412225680 /nfs/dbraw/zinc/22/56/80/412225680.db2.gz SBKGPTQVLHUIPS-AWEZNQCLSA-N -1 0 320.305 -0.001 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)Nc2cnn(CC(=O)[O-])c2)n1 ZINC000663058416 412225727 /nfs/dbraw/zinc/22/57/27/412225727.db2.gz OLOXBYDBMPHHEI-UHFFFAOYSA-N -1 0 307.314 -0.110 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000663075123 412225765 /nfs/dbraw/zinc/22/57/65/412225765.db2.gz JUHYYTHOWCLHBA-NEPJUHHUSA-N -1 0 310.350 -0.053 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC000663062711 412225777 /nfs/dbraw/zinc/22/57/77/412225777.db2.gz NUJVAKCYXNJACK-UHFFFAOYSA-N -1 0 316.379 -0.052 20 0 DBADRM O=C([O-])[C@@H](C(=O)NCCS(=O)(=O)NCC1CCC1)C1CC1 ZINC000663094236 412226436 /nfs/dbraw/zinc/22/64/36/412226436.db2.gz ILCUKNJSHWSLSK-LLVKDONJSA-N -1 0 318.395 -0.067 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000663108625 412226518 /nfs/dbraw/zinc/22/65/18/412226518.db2.gz HQGQLHQQDXWRKA-OAHLLOKOSA-N -1 0 323.349 -0.312 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@H](C(=O)[O-])C3CC3)C2=O)cn1 ZINC000663083214 412226671 /nfs/dbraw/zinc/22/66/71/412226671.db2.gz JPOFJYQTMGJPFL-WDEREUQCSA-N -1 0 306.322 -0.248 20 0 DBADRM CC(C)[C@@H](CNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663122148 412226692 /nfs/dbraw/zinc/22/66/92/412226692.db2.gz ZOVXACGDOBTFGU-VHSXEESVSA-N -1 0 321.399 -0.625 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000663095405 412226712 /nfs/dbraw/zinc/22/67/12/412226712.db2.gz ZJFBCDBBNKQDBT-GFCCVEGCSA-N -1 0 322.383 -0.688 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N(CC(=O)[O-])CC2CC2)C1 ZINC000663119267 412226790 /nfs/dbraw/zinc/22/67/90/412226790.db2.gz KKUZGWCOBXOBKI-JTQLQIEISA-N -1 0 319.383 -0.775 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000663092336 412226881 /nfs/dbraw/zinc/22/68/81/412226881.db2.gz MYFNHJBFDSFXAV-CQSZACIVSA-N -1 0 310.306 -0.343 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC000663079546 412226949 /nfs/dbraw/zinc/22/69/49/412226949.db2.gz QBRUIKDTKZYMBG-UHFFFAOYSA-N -1 0 316.379 -0.099 20 0 DBADRM CCN(C(=O)c1ccc(S(N)(=O)=O)cn1)[C@@H](C)C(=O)[O-] ZINC000663126130 412226986 /nfs/dbraw/zinc/22/69/86/412226986.db2.gz UYHSGORVBLTRGJ-ZETCQYMHSA-N -1 0 301.324 -0.336 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000663127874 412227240 /nfs/dbraw/zinc/22/72/40/412227240.db2.gz UVTRFWITEARRPQ-RWYTXXIDSA-N -1 0 305.352 -0.585 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000663127872 412227519 /nfs/dbraw/zinc/22/75/19/412227519.db2.gz UVTRFWITEARRPQ-DNSOKLHBSA-N -1 0 305.352 -0.585 20 0 DBADRM Cn1cnn(CC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1=O ZINC000663134672 412227523 /nfs/dbraw/zinc/22/75/23/412227523.db2.gz KEHLVNMPOCJPRZ-GFCCVEGCSA-N -1 0 316.317 -0.208 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)NC1(C(=O)[O-])CCOCC1 ZINC000663142593 412227548 /nfs/dbraw/zinc/22/75/48/412227548.db2.gz MELDYEIGOOQSND-UHFFFAOYSA-N -1 0 307.368 -0.193 20 0 DBADRM CC(C)C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)CC(=O)[O-] ZINC000663137906 412227573 /nfs/dbraw/zinc/22/75/73/412227573.db2.gz AFJCPLNQQIDHHD-VIFPVBQESA-N -1 0 311.342 -0.370 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000663132737 412227692 /nfs/dbraw/zinc/22/76/92/412227692.db2.gz YJWUCEBHVYNYGB-LLVKDONJSA-N -1 0 308.356 -0.936 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000663129945 412227882 /nfs/dbraw/zinc/22/78/82/412227882.db2.gz APRMDQNPSLPEPH-HNNXBMFYSA-N -1 0 322.317 -0.086 20 0 DBADRM NC(=O)c1cccc(OCCC(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000663130297 412227898 /nfs/dbraw/zinc/22/78/98/412227898.db2.gz HXZMRORTZAIQEH-OAHLLOKOSA-N -1 0 322.317 -0.086 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@H](C(=O)[O-])C3CC3)C[C@H]21 ZINC000663134889 412227939 /nfs/dbraw/zinc/22/79/39/412227939.db2.gz IHDXUMUEOZHHTQ-ZRUFSTJUSA-N -1 0 317.363 -0.632 20 0 DBADRM Cc1cccn2c(=O)c(C(=O)N[C@@]3(C(=O)[O-])CCOC3)cnc12 ZINC000663132142 412227954 /nfs/dbraw/zinc/22/79/54/412227954.db2.gz JAFXTLIZTQGCOA-HNNXBMFYSA-N -1 0 317.301 -0.024 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000663140809 412228089 /nfs/dbraw/zinc/22/80/89/412228089.db2.gz PMIWXLHEVVAQEO-ZETCQYMHSA-N -1 0 318.355 -0.421 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)CCCN2C(=O)CCC2=O)n1 ZINC000663145597 412228557 /nfs/dbraw/zinc/22/85/57/412228557.db2.gz VETATSVUNRZFIF-UHFFFAOYSA-N -1 0 308.294 -0.165 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1=O ZINC000663151172 412228618 /nfs/dbraw/zinc/22/86/18/412228618.db2.gz YAPHHIIIDULYMX-SNVBAGLBSA-N -1 0 309.322 -0.836 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)CN2CCN(C3CC3)C2=O)n1 ZINC000663145334 412229444 /nfs/dbraw/zinc/22/94/44/412229444.db2.gz PZMCFHJGHPIGRJ-UHFFFAOYSA-N -1 0 307.310 -0.194 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)CN2CCN(C3CC3)C2=O)n1 ZINC000663336963 412230129 /nfs/dbraw/zinc/23/01/29/412230129.db2.gz GJMVSZJULJWDAA-UHFFFAOYSA-N -1 0 308.298 -0.799 20 0 DBADRM O=C([O-])[C@@H]1N(S(=O)(=O)N2CCCC2)CC12CCOCC2 ZINC000663290938 412230316 /nfs/dbraw/zinc/23/03/16/412230316.db2.gz WPIODWGYZCXOTJ-JTQLQIEISA-N -1 0 304.368 -0.107 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)N1CCS(=O)(=O)CC1)C1CCC1 ZINC000663255858 412230522 /nfs/dbraw/zinc/23/05/22/412230522.db2.gz MJUHWDMSGHZWDL-JTQLQIEISA-N -1 0 304.368 -0.073 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)NCC2(C(=O)[O-])CC2)n1 ZINC000663345095 412230945 /nfs/dbraw/zinc/23/09/45/412230945.db2.gz PGWWXJUJOUNCDG-UHFFFAOYSA-N -1 0 309.326 -0.042 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N1CC2(CCOCC2)[C@@H]1C(=O)[O-] ZINC000663288558 412231008 /nfs/dbraw/zinc/23/10/08/412231008.db2.gz OGCGOIRYPDETNJ-ZJUUUORDSA-N -1 0 307.368 -0.083 20 0 DBADRM COCCOCCS(=O)(=O)N1C[C@@H]2C[C@@]1(C(=O)[O-])[C@@H]2C ZINC000663291977 412231138 /nfs/dbraw/zinc/23/11/38/412231138.db2.gz KWONJWUNRGIJLW-SCVCMEIPSA-N -1 0 307.368 -0.226 20 0 DBADRM Cc1cn(C)nc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000663265449 412231152 /nfs/dbraw/zinc/23/11/52/412231152.db2.gz VSXXIXJMNMRAKD-UHFFFAOYSA-N -1 0 324.428 -0.248 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2C[C@@]1(C(=O)[O-])[C@@H]2C ZINC000663292753 412231197 /nfs/dbraw/zinc/23/11/97/412231197.db2.gz HWNQYMZMWJAUSW-XBWDGYHZSA-N -1 0 304.368 -0.412 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)oc1C(=O)[O-] ZINC000663419140 412232745 /nfs/dbraw/zinc/23/27/45/412232745.db2.gz PDDHFNYMRNZTQX-SSDOTTSWSA-N -1 0 323.348 -0.248 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000663430556 412232780 /nfs/dbraw/zinc/23/27/80/412232780.db2.gz SZPXOAXEFJZOTP-NEPJUHHUSA-N -1 0 318.395 -0.004 20 0 DBADRM CCS(=O)(=O)C1(CNS(=O)(=O)CCCC(=O)[O-])CC1 ZINC000663449325 412233046 /nfs/dbraw/zinc/23/30/46/412233046.db2.gz VJGVXNJVIUZKMY-UHFFFAOYSA-N -1 0 313.397 -0.262 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663634793 412236682 /nfs/dbraw/zinc/23/66/82/412236682.db2.gz MUOYQNCXKDFKGW-ONGXEEELSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@@](C)(C(F)F)C1)C(=O)[O-] ZINC000663629914 412236695 /nfs/dbraw/zinc/23/66/95/412236695.db2.gz NQFVRNYKABPIQC-JMCQJSRRSA-N -1 0 308.281 -0.294 20 0 DBADRM CC(C)(O)CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663625185 412236783 /nfs/dbraw/zinc/23/67/83/412236783.db2.gz OWWGDMHJMICCFT-SNVBAGLBSA-N -1 0 300.355 -0.119 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCn2ncnc2C1)C1CCC1 ZINC000663633726 412236801 /nfs/dbraw/zinc/23/68/01/412236801.db2.gz SBAZVOKCVJHJPS-SNVBAGLBSA-N -1 0 321.337 -0.763 20 0 DBADRM C[C@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)C(=O)N(C)C ZINC000663626634 412236981 /nfs/dbraw/zinc/23/69/81/412236981.db2.gz XINTVOXNWWBYNH-WPRPVWTQSA-N -1 0 313.354 -0.804 20 0 DBADRM C[C@@]1(CO)CCCN1C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663634288 412236992 /nfs/dbraw/zinc/23/69/92/412236992.db2.gz MLYYDDZOXQQSTD-NHYWBVRUSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@@]1(CO)CCCN1C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663634286 412237120 /nfs/dbraw/zinc/23/71/20/412237120.db2.gz MLYYDDZOXQQSTD-ABAIWWIYSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@]1(O)CCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663633373 412237229 /nfs/dbraw/zinc/23/72/29/412237229.db2.gz PJTRUDJNEVVCGV-ABAIWWIYSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NCCn1ccnc1)C1CCC1 ZINC000663617270 412237289 /nfs/dbraw/zinc/23/72/89/412237289.db2.gz DOUXEIBXYHDKCV-NSHDSACASA-N -1 0 308.338 -0.384 20 0 DBADRM CCN(CCCO)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663635398 412237765 /nfs/dbraw/zinc/23/77/65/412237765.db2.gz RYDABGUBWAMYDK-NSHDSACASA-N -1 0 300.355 -0.166 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)NCC(=O)N1CCOCC1)C1CCC1 ZINC000665309503 412305740 /nfs/dbraw/zinc/30/57/40/412305740.db2.gz VLFCMVJPGALGGF-NSHDSACASA-N -1 0 313.354 -0.355 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000665321924 412308074 /nfs/dbraw/zinc/30/80/74/412308074.db2.gz UDHOFGKWXKNFMI-UWVGGRQHSA-N -1 0 319.383 -0.440 20 0 DBADRM Cc1[nH]nc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)c1C ZINC000359916723 412324340 /nfs/dbraw/zinc/32/43/40/412324340.db2.gz PMMVUFFRJIRQMQ-UHFFFAOYSA-N -1 0 316.368 0.502 20 0 DBADRM NS(=O)(=O)c1cccc2c1ccnc2C(=O)Nc1nnn[n-]1 ZINC000341296464 412339353 /nfs/dbraw/zinc/33/93/53/412339353.db2.gz BKNFISIDASOILT-UHFFFAOYSA-N -1 0 319.306 -0.352 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)Nc2cccnn2)C1=O ZINC000417771577 412344448 /nfs/dbraw/zinc/34/44/48/412344448.db2.gz XFFJROCJFCJLAZ-ONGXEEELSA-N -1 0 321.337 0.308 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])nn1C ZINC000424439511 412367535 /nfs/dbraw/zinc/36/75/35/412367535.db2.gz UPENVFUOVUWGIU-JTQLQIEISA-N -1 0 310.354 0.530 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000665436153 412355459 /nfs/dbraw/zinc/35/54/59/412355459.db2.gz VWZUVIHWQXVBQD-UHFFFAOYSA-N -1 0 309.370 -0.592 20 0 DBADRM CN(C)S(=O)(=O)N1CCC[C@@H](Nc2nc(C(=O)[O-])co2)C1 ZINC000583324623 412295436 /nfs/dbraw/zinc/29/54/36/412295436.db2.gz CKRNHWGKASXPCN-MRVPVSSYSA-N -1 0 318.355 0.056 20 0 DBADRM O=C([O-])[C@H](CNC(=O)NCCN1C(=O)CNC1=O)C1CCC1 ZINC000665304426 412304700 /nfs/dbraw/zinc/30/47/00/412304700.db2.gz ACMKYVAZODBCSO-SECBINFHSA-N -1 0 312.326 -0.662 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(OC)n(C)n2)c[nH]1 ZINC000547499787 412378080 /nfs/dbraw/zinc/37/80/80/412378080.db2.gz HAOAGIRYALKMKN-UHFFFAOYSA-N -1 0 314.323 0.344 20 0 DBADRM COC(=O)c1ccc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)nc1OC ZINC000595977238 412382554 /nfs/dbraw/zinc/38/25/54/412382554.db2.gz FPBUGEDBXDWJMI-QNSHHTMESA-N -1 0 310.306 0.513 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)o1 ZINC000355777284 412383011 /nfs/dbraw/zinc/38/30/11/412383011.db2.gz CABPPDHYLYARCB-UHFFFAOYSA-N -1 0 323.290 0.305 20 0 DBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2cnn(C)c2C)cn1 ZINC000427778121 412383960 /nfs/dbraw/zinc/38/39/60/412383960.db2.gz ALJAJGFXDKPHRV-UHFFFAOYSA-N -1 0 311.323 0.106 20 0 DBADRM Cc1ccc(NCCCNC(=O)C(=O)NCCC(=O)[O-])nc1 ZINC000420541116 412431607 /nfs/dbraw/zinc/43/16/07/412431607.db2.gz YZFUWRHHHDBPIX-UHFFFAOYSA-N -1 0 308.338 -0.101 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccn(CC(F)F)n1)C(=O)[O-] ZINC000578192303 412444169 /nfs/dbraw/zinc/44/41/69/412444169.db2.gz KUQCJSNEBNWBHU-ZCFIWIBFSA-N -1 0 304.253 0.066 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)nn1C ZINC000577751458 412453803 /nfs/dbraw/zinc/45/38/03/412453803.db2.gz GKLPZKKRINOVGT-APPZFPTMSA-N -1 0 309.326 -0.369 20 0 DBADRM COc1nc(N[C@@H]2CCN(S(C)(=O)=O)C2)ccc1C(=O)[O-] ZINC000584535544 412456873 /nfs/dbraw/zinc/45/68/73/412456873.db2.gz OGAMVBJVYQMKKX-MRVPVSSYSA-N -1 0 315.351 0.234 20 0 DBADRM Cc1nc(NC(=O)c2ccc(S(N)(=O)=O)s2)nn1C ZINC000344544364 412456989 /nfs/dbraw/zinc/45/69/89/412456989.db2.gz GCIMKXCTLRANAD-UHFFFAOYSA-N -1 0 301.353 0.085 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1CNc1ccc(C(=O)[O-])nn1 ZINC000565483152 412458703 /nfs/dbraw/zinc/45/87/03/412458703.db2.gz FJDWWQXITLNSDY-SECBINFHSA-N -1 0 314.367 0.401 20 0 DBADRM Cc1nn2c([n-]nc2SCC(=O)Nc2ccon2)nc1=O ZINC000604143593 412461576 /nfs/dbraw/zinc/46/15/76/412461576.db2.gz ANVLMMOQICYVDZ-UHFFFAOYSA-N -1 0 307.295 -0.160 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])s1 ZINC000569345376 418941337 /nfs/dbraw/zinc/94/13/37/418941337.db2.gz OTHHRRVAADDUNW-LURJTMIESA-N -1 0 305.337 -0.051 20 0 DBADRM C[C@H]([C@@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-])C1CC1 ZINC000558686233 418943758 /nfs/dbraw/zinc/94/37/58/418943758.db2.gz XSIULSCMKWVBGJ-WCBMZHEXSA-N -1 0 304.368 -0.074 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000650445324 418946851 /nfs/dbraw/zinc/94/68/51/418946851.db2.gz CBTVANCLOWWSSO-GMSGAONNSA-N -1 0 317.367 -0.100 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOC(C)(C)C2)C[C@H](C(=O)[O-])O1 ZINC000650446848 418947117 /nfs/dbraw/zinc/94/71/17/418947117.db2.gz MJJQGFVCYUTEOG-NXEZZACHSA-N -1 0 322.383 -0.484 20 0 DBADRM CN1CC[C@@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)S1(=O)=O ZINC000652122611 418949993 /nfs/dbraw/zinc/94/99/93/418949993.db2.gz CZCWMGQLKLJTMU-AXFHLTTASA-N -1 0 316.379 -0.411 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)C[C@@H](C)O1 ZINC000043511290 418950154 /nfs/dbraw/zinc/95/01/54/418950154.db2.gz RVVRXIBLFSTEBI-FXPVBKGRSA-N -1 0 324.424 -0.110 20 0 DBADRM CN1CC[C@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)S1(=O)=O ZINC000652122612 418950205 /nfs/dbraw/zinc/95/02/05/418950205.db2.gz CZCWMGQLKLJTMU-HBNTYKKESA-N -1 0 316.379 -0.411 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C[C@H](C(=O)[O-])O1 ZINC000652116615 418950367 /nfs/dbraw/zinc/95/03/67/418950367.db2.gz KYPKCSIBHPESIE-KXUCPTDWSA-N -1 0 320.367 -0.889 20 0 DBADRM CC(=O)NCCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000666002393 418962897 /nfs/dbraw/zinc/96/28/97/418962897.db2.gz DMUAKGJGMISIJB-UHFFFAOYSA-N -1 0 315.351 -0.704 20 0 DBADRM Cn1[n-]c(C(=O)NCCCn2nc3n(c2=O)CCCC3)cc1=O ZINC000666636938 418984608 /nfs/dbraw/zinc/98/46/08/418984608.db2.gz HHQJNEYYEMIOOA-UHFFFAOYSA-N -1 0 320.353 -0.360 20 0 DBADRM CC(C)(NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(N)=O ZINC000667003194 418989207 /nfs/dbraw/zinc/98/92/07/418989207.db2.gz IYPLCRAQJWRAIC-UHFFFAOYSA-N -1 0 301.324 -0.967 20 0 DBADRM CN(C(=O)N1CCOC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000088393887 544422326 /nfs/dbraw/zinc/42/23/26/544422326.db2.gz WOTMRHBEJUMWAZ-IUCAKERBSA-N -1 0 306.340 -0.989 20 0 DBADRM CN(C(=O)N1CCOC[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000088393883 544422487 /nfs/dbraw/zinc/42/24/87/544422487.db2.gz WOTMRHBEJUMWAZ-RKDXNWHRSA-N -1 0 306.340 -0.989 20 0 DBADRM C[C@@H]1OCC[C@@]12CN(C(=O)Cn1cc(C(=O)[O-])nn1)C[C@@H](C)O2 ZINC000668314995 544423379 /nfs/dbraw/zinc/42/33/79/544423379.db2.gz CCAIIHZCQOZBPX-ISTVAULSSA-N -1 0 324.337 -0.229 20 0 DBADRM O=C(CN1CCCS1(=O)=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000668307242 544424519 /nfs/dbraw/zinc/42/45/19/544424519.db2.gz APUQAGPDWCCFNC-NSHDSACASA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000668299897 544424957 /nfs/dbraw/zinc/42/49/57/544424957.db2.gz WUPNPONOXDBYEL-GARJFASQSA-N -1 0 316.379 -0.266 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000668299899 544425031 /nfs/dbraw/zinc/42/50/31/544425031.db2.gz WUPNPONOXDBYEL-HBNTYKKESA-N -1 0 316.379 -0.266 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)cc1C(N)=O ZINC000092181760 544446626 /nfs/dbraw/zinc/44/66/26/544446626.db2.gz JJEJBVZVXZXASV-SFYZADRCSA-N -1 0 313.335 -0.568 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650428866 544448308 /nfs/dbraw/zinc/44/83/08/544448308.db2.gz VGLNTKBFAHGQNB-ZJUUUORDSA-N -1 0 317.367 -0.183 20 0 DBADRM C[C@@H](N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1)C(F)(F)F ZINC000677950170 544499524 /nfs/dbraw/zinc/49/95/24/544499524.db2.gz JKGSTHICSDLAPV-ZCFIWIBFSA-N -1 0 321.259 -0.009 20 0 DBADRM CC(C)(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])NS(C)(=O)=O ZINC000079509634 544469448 /nfs/dbraw/zinc/46/94/48/544469448.db2.gz XONVMCHKTMAIRC-LBPRGKRZSA-N -1 0 321.399 -0.037 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC000400144648 544487774 /nfs/dbraw/zinc/48/77/74/544487774.db2.gz YLTONLDDVPTYAQ-ZJUUUORDSA-N -1 0 319.383 -0.331 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC000400172336 544488097 /nfs/dbraw/zinc/48/80/97/544488097.db2.gz NOHRFYKWBFLRNR-AEJSXWLSSA-N -1 0 320.367 -0.841 20 0 DBADRM Cn1ccc(N2CCC[C@H](NC(=O)c3cc(=O)n(C)[n-]3)C2=O)n1 ZINC000669260638 544540783 /nfs/dbraw/zinc/54/07/83/544540783.db2.gz KHIVBSHSMOTGAR-VIFPVBQESA-N -1 0 318.337 -0.215 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1C(=O)[O-] ZINC000653291070 544502726 /nfs/dbraw/zinc/50/27/26/544502726.db2.gz QSBTWXKCSUVWLH-GHMZBOCLSA-N -1 0 322.365 -0.050 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000668871725 544507812 /nfs/dbraw/zinc/50/78/12/544507812.db2.gz OIICEZDBVFPPMW-MRVPVSSYSA-N -1 0 317.357 -0.690 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)c1ccc(C(=O)[O-])cn1 ZINC000221389716 544509852 /nfs/dbraw/zinc/50/98/52/544509852.db2.gz QXMSTPKXWDWGJC-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000111249763 544519884 /nfs/dbraw/zinc/51/98/84/544519884.db2.gz OFVMVDUDEABPHB-MXWKQRLJSA-N -1 0 318.395 -0.020 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)c3cc(=O)n(C)[n-]3)C2=O)n(C)n1 ZINC000669291063 544548749 /nfs/dbraw/zinc/54/87/49/544548749.db2.gz MMXLVMLFHLRJQA-SECBINFHSA-N -1 0 318.337 -0.297 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2cc(=O)n(C)[n-]2)C(=O)N1c1cnn(C)c1 ZINC000669360507 544555362 /nfs/dbraw/zinc/55/53/62/544555362.db2.gz GWOIWIZJNGNCLM-KCJUWKMLSA-N -1 0 318.337 -0.217 20 0 DBADRM CC(C)[C@H](CNC(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000087508718 544581136 /nfs/dbraw/zinc/58/11/36/544581136.db2.gz AFUKZXXVMZXQAK-VIFPVBQESA-N -1 0 323.415 -0.030 20 0 DBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H]2COC[C@H]2O)c1 ZINC000456433853 544581304 /nfs/dbraw/zinc/58/13/04/544581304.db2.gz IPEDTGWQBUILIJ-VXGBXAGGSA-N -1 0 314.363 -0.144 20 0 DBADRM CC(C)[C@@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000087480123 544581612 /nfs/dbraw/zinc/58/16/12/544581612.db2.gz CLCSJSOSQDGAHX-ZJUUUORDSA-N -1 0 306.384 -0.117 20 0 DBADRM CC(C)C[C@H](CNC(=O)NCCNS(C)(=O)=O)CC(=O)[O-] ZINC000088274232 544583967 /nfs/dbraw/zinc/58/39/67/544583967.db2.gz DTUILBRMDKNTIQ-JTQLQIEISA-N -1 0 323.415 -0.028 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCOCC(F)(F)F ZINC000088772751 544584978 /nfs/dbraw/zinc/58/49/78/544584978.db2.gz SLZDOIPYKIJBIR-UHFFFAOYSA-N -1 0 308.278 -0.194 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000235338459 544595344 /nfs/dbraw/zinc/59/53/44/544595344.db2.gz OFVMVDUDEABPHB-GMTAPVOTSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000235339220 544595756 /nfs/dbraw/zinc/59/57/56/544595756.db2.gz XYCQILCLHNCRDR-OPRDCNLKSA-N -1 0 304.368 -0.411 20 0 DBADRM CCn1cnc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000092890285 544606184 /nfs/dbraw/zinc/60/61/84/544606184.db2.gz CZXAUGFNTFGOIF-SECBINFHSA-N -1 0 303.340 -0.233 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000049606593 544621266 /nfs/dbraw/zinc/62/12/66/544621266.db2.gz WQXOOIXZVJVTKV-SNVBAGLBSA-N -1 0 322.383 -0.640 20 0 DBADRM C[C@@H](CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400106236 544635883 /nfs/dbraw/zinc/63/58/83/544635883.db2.gz CWFOKIJOMKMAKE-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@@H]3COC[C@H](C2)O3)cc1C(=O)[O-] ZINC000669820130 544624841 /nfs/dbraw/zinc/62/48/41/544624841.db2.gz KNHFDMSNHSGUOL-DTORHVGOSA-N -1 0 316.335 -0.488 20 0 DBADRM CCn1cc(CNS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)nn1 ZINC000404445076 544646600 /nfs/dbraw/zinc/64/66/00/544646600.db2.gz CFCDQSOYZJHAFG-SECBINFHSA-N -1 0 317.371 -0.571 20 0 DBADRM Cc1c(-c2nn(C)c3ncn(CC(=O)[O-])c(=O)c23)cnn1C ZINC000519833129 544647672 /nfs/dbraw/zinc/64/76/72/544647672.db2.gz MZXWANGWZFSQSE-UHFFFAOYSA-N -1 0 302.294 -0.076 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cn1 ZINC000161940056 544649978 /nfs/dbraw/zinc/64/99/78/544649978.db2.gz KHUAUEMHQUQRKR-QNSHHTMESA-N -1 0 301.324 -0.434 20 0 DBADRM C[C@H](CNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000381227501 544650134 /nfs/dbraw/zinc/65/01/34/544650134.db2.gz XHNCXOQBEVHXHY-BDAKNGLRSA-N -1 0 307.372 -0.618 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000262190209 544654668 /nfs/dbraw/zinc/65/46/68/544654668.db2.gz SKBSZOQERAUSIJ-KXUCPTDWSA-N -1 0 316.379 -0.002 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Cn1nc2ccccn2c1=O ZINC000262838663 544664135 /nfs/dbraw/zinc/66/41/35/544664135.db2.gz GRJXGQJZQAJYRB-ZJUUUORDSA-N -1 0 304.306 -0.135 20 0 DBADRM O=C(NCCO)c1ccc(=N[C@@H]2CCCC(F)(F)[C@H]2O)[n-]n1 ZINC000413576260 544668542 /nfs/dbraw/zinc/66/85/42/544668542.db2.gz LZVSJKHXABFZJD-KCJUWKMLSA-N -1 0 316.308 -0.419 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000164035118 544668719 /nfs/dbraw/zinc/66/87/19/544668719.db2.gz CQTYLEFSSSRZCB-SECBINFHSA-N -1 0 306.384 -0.163 20 0 DBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@](C)(O)CO)c1 ZINC000355301271 544685107 /nfs/dbraw/zinc/68/51/07/544685107.db2.gz TZJOWBXKFYMOLL-ZDUSSCGKSA-N -1 0 316.379 -0.160 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC000654786411 544676647 /nfs/dbraw/zinc/67/66/47/544676647.db2.gz HEHJCHKZUOLIEL-SECBINFHSA-N -1 0 308.356 -0.873 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)O1 ZINC000682524297 544643529 /nfs/dbraw/zinc/64/35/29/544643529.db2.gz QJBZFVUZYARFOM-MXWKQRLJSA-N -1 0 317.363 -0.203 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)NCC1(C(=O)[O-])CCC1 ZINC000312620700 544721494 /nfs/dbraw/zinc/72/14/94/544721494.db2.gz ITGPXMWABFBCIO-UHFFFAOYSA-N -1 0 307.372 -0.391 20 0 DBADRM CN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000313982517 544726370 /nfs/dbraw/zinc/72/63/70/544726370.db2.gz MLNSVGWNNQKTIK-KXUCPTDWSA-N -1 0 320.367 -0.889 20 0 DBADRM NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000671661541 544728305 /nfs/dbraw/zinc/72/83/05/544728305.db2.gz YXYMPPFCCQWCNJ-UHFFFAOYSA-N -1 0 321.318 -0.196 20 0 DBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000681555955 544693292 /nfs/dbraw/zinc/69/32/92/544693292.db2.gz KNVXQGXXLGZXJD-QMMMGPOBSA-N -1 0 305.356 -0.731 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N(CCO)CCC(=O)[O-])C1 ZINC000681585394 544694548 /nfs/dbraw/zinc/69/45/48/544694548.db2.gz UPWIGEZKYHQNFJ-GHMZBOCLSA-N -1 0 308.400 -0.022 20 0 DBADRM CCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@@H]1CC(=O)NC1=O ZINC000667694524 544747418 /nfs/dbraw/zinc/74/74/18/544747418.db2.gz RVOHPJFABJYJOH-SSDOTTSWSA-N -1 0 304.262 -0.194 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC(CNS(C)(=O)=O)CC2)c1[O-] ZINC000672142948 544764301 /nfs/dbraw/zinc/76/43/01/544764301.db2.gz GHDWYZMJSMRJIK-UHFFFAOYSA-N -1 0 316.383 -0.175 20 0 DBADRM O=C(CN1CCN(c2ccccn2)CC1)NCc1nnn[n-]1 ZINC000673668270 544807457 /nfs/dbraw/zinc/80/74/57/544807457.db2.gz RSFFJJFEGWSAQV-UHFFFAOYSA-N -1 0 302.342 -0.967 20 0 DBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NCc2nnn[n-]2)c1 ZINC000673668472 544807518 /nfs/dbraw/zinc/80/75/18/544807518.db2.gz YWFIPUCDWMWZIR-UHFFFAOYSA-N -1 0 313.343 -0.856 20 0 DBADRM O=C(CCN1C(=O)COc2ccccc21)NCc1n[nH]c(=O)[n-]1 ZINC000673919399 544814455 /nfs/dbraw/zinc/81/44/55/544814455.db2.gz UEEGPYWYTCENJR-UHFFFAOYSA-N -1 0 317.305 -0.058 20 0 DBADRM COCCn1cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)ccc1=O ZINC000673943864 544815334 /nfs/dbraw/zinc/81/53/34/544815334.db2.gz OBHSXLMKWBNCDK-UHFFFAOYSA-N -1 0 321.337 -0.319 20 0 DBADRM CNC(=O)COc1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000675568265 544850075 /nfs/dbraw/zinc/85/00/75/544850075.db2.gz NUYGIDBBXWFXJO-UHFFFAOYSA-N -1 0 320.309 -0.043 20 0 DBADRM NC(=O)C1(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)CC1 ZINC000676001653 544856132 /nfs/dbraw/zinc/85/61/32/544856132.db2.gz NTKKCJPDDOTETM-UHFFFAOYSA-N -1 0 305.290 -0.295 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N(CC(=O)[O-])CC2CC2)nn1 ZINC000675975152 544855795 /nfs/dbraw/zinc/85/57/95/544855795.db2.gz UMQJNQNYQGTKLG-UHFFFAOYSA-N -1 0 309.326 -0.697 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000675993697 544855930 /nfs/dbraw/zinc/85/59/30/544855930.db2.gz PJYLODCIHOJEQZ-UHFFFAOYSA-N -1 0 313.354 -0.515 20 0 DBADRM CC(C)CCOCCNC(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000676230798 544861496 /nfs/dbraw/zinc/86/14/96/544861496.db2.gz CLSGKRSXSXHZHX-LBPRGKRZSA-N -1 0 302.371 -0.049 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CCO1 ZINC000676019690 544856482 /nfs/dbraw/zinc/85/64/82/544856482.db2.gz UYHNAWISUMOVDD-MXWKQRLJSA-N -1 0 324.333 -0.526 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000676096065 544857077 /nfs/dbraw/zinc/85/70/77/544857077.db2.gz RAQDCJLJIJQMAE-UHFFFAOYSA-N -1 0 312.293 -0.360 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H](NC(=O)COC)C(C)C ZINC000676209185 544860028 /nfs/dbraw/zinc/86/00/28/544860028.db2.gz PLIZPCTYAGHVFK-LBPRGKRZSA-N -1 0 304.343 -0.667 20 0 DBADRM O=C(Cn1cc(C(=O)NCc2nnn[n-]2)cn1)NC1CCCC1 ZINC000676473030 544870669 /nfs/dbraw/zinc/87/06/69/544870669.db2.gz LPILPESMFJCEQU-UHFFFAOYSA-N -1 0 318.341 -0.615 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCN2CCCS2(=O)=O)c1[O-] ZINC000676697505 544876118 /nfs/dbraw/zinc/87/61/18/544876118.db2.gz YOLSFTVHEOMOQU-UHFFFAOYSA-N -1 0 302.356 -0.421 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)c1[nH]nc(C)c1[O-] ZINC000676693483 544876127 /nfs/dbraw/zinc/87/61/27/544876127.db2.gz XZBMZCNVPWWTDN-UHFFFAOYSA-N -1 0 304.372 -0.175 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC000676692838 544876294 /nfs/dbraw/zinc/87/62/94/544876294.db2.gz HDVTZJVZRVEMOT-UHFFFAOYSA-N -1 0 316.383 -0.032 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1[O-] ZINC000676629987 544873303 /nfs/dbraw/zinc/87/33/03/544873303.db2.gz MUMUPBXTFZBVQQ-UHFFFAOYSA-N -1 0 307.354 -0.540 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCn2nc3n(c2=O)CCCC3)c1[O-] ZINC000676631758 544873600 /nfs/dbraw/zinc/87/36/00/544873600.db2.gz FDGSHCACSZCIEU-UHFFFAOYSA-N -1 0 320.353 -0.062 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)NCc1ccccc1 ZINC000677949494 544902536 /nfs/dbraw/zinc/90/25/36/544902536.db2.gz JANLUDTZNBEOAK-QMMMGPOBSA-N -1 0 317.305 -0.283 20 0 DBADRM Cc1cccc(OC[C@@H](O)CNC(=O)c2n[nH]c(=O)[n-]c2=O)c1 ZINC000677950006 544902555 /nfs/dbraw/zinc/90/25/55/544902555.db2.gz GKFBQQDUBNLWIV-VIFPVBQESA-N -1 0 320.305 -0.239 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000677968934 544903725 /nfs/dbraw/zinc/90/37/25/544903725.db2.gz NJOVHZLOXRQEAT-UHFFFAOYSA-N -1 0 315.268 -0.185 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000680492240 544950292 /nfs/dbraw/zinc/95/02/92/544950292.db2.gz GOUZMCVWSBCEDL-NSHDSACASA-N -1 0 313.354 -0.563 20 0 DBADRM Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)ccc1-n1cnnn1 ZINC000678988733 544924045 /nfs/dbraw/zinc/92/40/45/544924045.db2.gz MUNGJBCUVGUARP-CQSZACIVSA-N -1 0 317.305 -0.056 20 0 DBADRM O=C(N[C@H]1CCN(c2ncccc2F)C1)c1n[nH]c(=O)[n-]c1=O ZINC000678995869 544924373 /nfs/dbraw/zinc/92/43/73/544924373.db2.gz XZLLWTFBSUOLLK-ZETCQYMHSA-N -1 0 320.284 -0.174 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000678990800 544924630 /nfs/dbraw/zinc/92/46/30/544924630.db2.gz XTPUDEAQVMXAND-WMFXKJRFSA-N -1 0 324.333 -0.479 20 0 DBADRM Cc1nc(CNC(=O)CN(C)S(C)(=O)=O)sc1C(=O)[O-] ZINC000679398262 544930348 /nfs/dbraw/zinc/93/03/48/544930348.db2.gz OMVZGECRPSQPHB-UHFFFAOYSA-N -1 0 321.380 -0.343 20 0 DBADRM CCN(CC(=O)[O-])C(=O)NCCCN1CCCS1(=O)=O ZINC000679557304 544933612 /nfs/dbraw/zinc/93/36/12/544933612.db2.gz HYZSIOBVHUUQMS-UHFFFAOYSA-N -1 0 307.372 -0.472 20 0 DBADRM CC[C@@H](NC(=O)NCCCN1CCCS1(=O)=O)C(=O)[O-] ZINC000679556950 544933691 /nfs/dbraw/zinc/93/36/91/544933691.db2.gz AHMSJWIZHLTJDG-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM CC(=O)NCCN(C(=O)CCN1CCCC1=O)[C@H](C)C(=O)[O-] ZINC000679654915 544936236 /nfs/dbraw/zinc/93/62/36/544936236.db2.gz LYASBTJVWSSAHK-SNVBAGLBSA-N -1 0 313.354 -0.563 20 0 DBADRM Cn1cnn(CC(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)c1=O ZINC000679721100 544937131 /nfs/dbraw/zinc/93/71/31/544937131.db2.gz HJSBNRKNSMGCNK-LLVKDONJSA-N -1 0 314.309 -0.999 20 0 DBADRM COC[C@](C)(CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000681076284 544962217 /nfs/dbraw/zinc/96/22/17/544962217.db2.gz RZXJVYUJVPTIFM-AWEZNQCLSA-N -1 0 322.321 -0.128 20 0 DBADRM COC[C@@](C)(CO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000681070998 544962378 /nfs/dbraw/zinc/96/23/78/544962378.db2.gz MNGRSWSAZFEXSJ-CYBMUJFWSA-N -1 0 308.294 -0.437 20 0 DBADRM C[C@](O)(CNC(=O)c1ccc(Cn2cncn2)cc1)C(=O)[O-] ZINC000681129589 544964364 /nfs/dbraw/zinc/96/43/64/544964364.db2.gz MLOQBOBSRSXZNG-AWEZNQCLSA-N -1 0 304.306 -0.108 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1CCCN1S(C)(=O)=O)c1nnn[n-]1 ZINC000681353954 544970519 /nfs/dbraw/zinc/97/05/19/544970519.db2.gz YUVPIWDDLLBNAV-IUCAKERBSA-N -1 0 316.387 -0.814 20 0 DBADRM C[C@@H](CN(C)C(=O)CS(=O)(=O)NC(C)(C)C)c1nnn[n-]1 ZINC000681355524 544970614 /nfs/dbraw/zinc/97/06/14/544970614.db2.gz WCYITMBFBFFEME-QMMMGPOBSA-N -1 0 318.403 -0.521 20 0 DBADRM CC(C)c1nc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c[nH]1 ZINC000681560519 544974847 /nfs/dbraw/zinc/97/48/47/544974847.db2.gz FCMYFHMBNPMIIQ-ZETCQYMHSA-N -1 0 318.355 -0.470 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1cnc2n1CCC2 ZINC000681587005 544975741 /nfs/dbraw/zinc/97/57/41/544975741.db2.gz XOAQQKMGWQYDNK-SECBINFHSA-N -1 0 315.351 -0.307 20 0 DBADRM CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O ZINC000681577046 544975804 /nfs/dbraw/zinc/97/58/04/544975804.db2.gz JYBHVGYHZOHSSI-SECBINFHSA-N -1 0 315.413 -0.160 20 0 DBADRM Cc1noc2ncc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc12 ZINC000681572342 544975930 /nfs/dbraw/zinc/97/59/30/544975930.db2.gz KOFRYMLCUUZMND-QMMMGPOBSA-N -1 0 301.280 -0.745 20 0 DBADRM O=C([O-])CCN(CCO)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000681584685 544975947 /nfs/dbraw/zinc/97/59/47/544975947.db2.gz DTYGXDCVCAJXCN-UHFFFAOYSA-N -1 0 317.319 -0.127 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1cnc2n1CCC2 ZINC000681586364 544975967 /nfs/dbraw/zinc/97/59/67/544975967.db2.gz MJGITWHWJNDBID-UHFFFAOYSA-N -1 0 317.367 -0.059 20 0 DBADRM CC[C@@H](CNS(=O)(=O)N(CCOC)CCOC)C(=O)[O-] ZINC000681572037 544976027 /nfs/dbraw/zinc/97/60/27/544976027.db2.gz QOYFEGDZLFYWOU-JTQLQIEISA-N -1 0 312.388 -0.474 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])on1 ZINC000681586522 544976121 /nfs/dbraw/zinc/97/61/21/544976121.db2.gz PFISEOKIMBQJFS-SECBINFHSA-N -1 0 304.324 -0.012 20 0 DBADRM CCn1cc(-c2nn(C)cc2C(=O)NCc2nnn[n-]2)cn1 ZINC000681730535 544979155 /nfs/dbraw/zinc/97/91/55/544979155.db2.gz QTLSLBWSICDKHD-UHFFFAOYSA-N -1 0 301.314 -0.253 20 0 DBADRM CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)C(=O)[O-])C2)no1 ZINC000274139490 544983669 /nfs/dbraw/zinc/98/36/69/544983669.db2.gz GPHZKGBCCAXWPF-SECBINFHSA-N -1 0 310.310 -0.334 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1 ZINC000682524033 545000351 /nfs/dbraw/zinc/00/03/51/545000351.db2.gz QOEPXJRPKXTDDQ-KATARQTJSA-N -1 0 307.368 -0.101 20 0 DBADRM CCN(C(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1)[C@@H](C)CS(C)(=O)=O ZINC000682522500 545000462 /nfs/dbraw/zinc/00/04/62/545000462.db2.gz HFUYBNLZAREUBW-GUBZILKMSA-N -1 0 307.368 -0.100 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000682524035 545000464 /nfs/dbraw/zinc/00/04/64/545000464.db2.gz QOEPXJRPKXTDDQ-UTINFBMNSA-N -1 0 307.368 -0.101 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)C2CC(C(=O)[O-])C2)CC1 ZINC000682699950 545004006 /nfs/dbraw/zinc/00/40/06/545004006.db2.gz ZWBJLLMJPHRUQM-UHFFFAOYSA-N -1 0 304.368 -0.409 20 0 DBADRM C[C@@]1(C2CCN(C(=O)C3CC(C(=O)[O-])C3)CC2)NC(=O)NC1=O ZINC000682705422 545004594 /nfs/dbraw/zinc/00/45/94/545004594.db2.gz YBJWGRYEALWJJO-WDQARJOWSA-N -1 0 323.349 -0.066 20 0 DBADRM CCO[C@@H]1C[C@@](O)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1(C)C ZINC000682821576 545005620 /nfs/dbraw/zinc/00/56/20/545005620.db2.gz PRWTUYOTNNEWEM-FUXBKTLASA-N -1 0 312.326 -0.421 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cn1 ZINC000275265155 545005787 /nfs/dbraw/zinc/00/57/87/545005787.db2.gz JHLPQHOSRXNFPX-PSASIEDQSA-N -1 0 303.340 -0.328 20 0 DBADRM COc1cc(OC)nc([N-]S(=O)(=O)c2cnnn2C)n1 ZINC000682807205 545005840 /nfs/dbraw/zinc/00/58/40/545005840.db2.gz VBRCNJVWQMUNCG-UHFFFAOYSA-N -1 0 300.300 -0.577 20 0 DBADRM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2cnnn2C)c1 ZINC000682832930 545005920 /nfs/dbraw/zinc/00/59/20/545005920.db2.gz QKPCBLQOVYFCEA-UHFFFAOYSA-N -1 0 320.338 -0.100 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)C2CC(C(=O)[O-])C2)C1 ZINC000683340637 545009412 /nfs/dbraw/zinc/00/94/12/545009412.db2.gz JFYXGBPBNULFOT-XNWIYYODSA-N -1 0 304.368 -0.505 20 0 DBADRM O=C([O-])[C@H]1CSCCN1C(=O)NCc1nnnn1C1CC1 ZINC000684736216 545023233 /nfs/dbraw/zinc/02/32/33/545023233.db2.gz OVLCDVIFKHOIRV-MRVPVSSYSA-N -1 0 312.355 -0.280 20 0 DBADRM C/C=C\C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC000684721229 545023361 /nfs/dbraw/zinc/02/33/61/545023361.db2.gz ODFDYFRDDVFTQS-LWTINBJPSA-N -1 0 321.399 -0.014 20 0 DBADRM COC[C@](C)(NC(=O)NCC1(OC)CCOCC1)C(=O)[O-] ZINC000684737621 545023413 /nfs/dbraw/zinc/02/34/13/545023413.db2.gz SMBMQYCTTCZMNI-LBPRGKRZSA-N -1 0 304.343 -0.029 20 0 DBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2c(C)onc2N)cn1 ZINC000684845716 545024185 /nfs/dbraw/zinc/02/41/85/545024185.db2.gz RRTBHWBHCQARJL-UHFFFAOYSA-N -1 0 314.327 -0.691 20 0 DBADRM COc1cncc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1 ZINC000684896398 545024738 /nfs/dbraw/zinc/02/47/38/545024738.db2.gz VOHGEQQRZZRKCS-VIFPVBQESA-N -1 0 316.335 -0.046 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)NC1CCOCC1 ZINC000685630034 545033684 /nfs/dbraw/zinc/03/36/84/545033684.db2.gz DCHCIIZREOOHMU-UHFFFAOYSA-N -1 0 317.367 -0.135 20 0 DBADRM CC(C)c1nc(S(=O)(=O)NCCS(=O)(=O)N(C)C)c[nH]1 ZINC000685611020 545033910 /nfs/dbraw/zinc/03/39/10/545033910.db2.gz UZCJTJOQHWSFBB-UHFFFAOYSA-N -1 0 324.428 -0.297 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)c(C(N)=O)c1 ZINC000038016921 545036919 /nfs/dbraw/zinc/03/69/19/545036919.db2.gz ZMRYRKBPKCPDKY-UHFFFAOYSA-N -1 0 316.335 -0.111 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)NS(C)(=O)=O)C1CC1 ZINC000383273115 545037974 /nfs/dbraw/zinc/03/79/74/545037974.db2.gz FLLPRZZODUZBQZ-QMMMGPOBSA-N -1 0 321.399 -0.039 20 0 DBADRM O=C([O-])[C@@H](CC(F)(F)F)NS(=O)(=O)N1CCOCC1 ZINC000388544502 545038191 /nfs/dbraw/zinc/03/81/91/545038191.db2.gz SJZZQVATTPAUIS-ZCFIWIBFSA-N -1 0 306.262 -0.441 20 0 DBADRM C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000396638857 265721427 /nfs/dbraw/zinc/72/14/27/265721427.db2.gz GIIMAGCEVWLQDV-NWDGAFQWSA-N -1 0 311.382 -0.090 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)CCCF)C1=O ZINC000417450287 265745573 /nfs/dbraw/zinc/74/55/73/265745573.db2.gz ZUCRMWMQFRKNKQ-ZJUUUORDSA-N -1 0 324.374 -0.025 20 0 DBADRM CCC(O)(CC)CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000420560911 265861160 /nfs/dbraw/zinc/86/11/60/265861160.db2.gz NXMHFQPUENEEKV-JTQLQIEISA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000420532107 265861666 /nfs/dbraw/zinc/86/16/66/265861666.db2.gz HLWWNOGDRXKDDO-IINYFYTJSA-N -1 0 308.338 -0.289 20 0 DBADRM CCN1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@H](C)C1=O ZINC000422844192 265882300 /nfs/dbraw/zinc/88/23/00/265882300.db2.gz LCRNHHGHEGOEMW-VHSXEESVSA-N -1 0 313.354 -0.755 20 0 DBADRM CC[C@@]1(CO)CCCN1C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000422853222 265882853 /nfs/dbraw/zinc/88/28/53/265882853.db2.gz YRBIGQPJQCBSRO-HFAKWTLXSA-N -1 0 312.366 -0.071 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000422877741 265882863 /nfs/dbraw/zinc/88/28/63/265882863.db2.gz IEQGECIYPDLVEK-YMTOWFKASA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424369655 265930687 /nfs/dbraw/zinc/93/06/87/265930687.db2.gz RNBYXMATPYDVKV-KOLCDFICSA-N -1 0 322.383 -0.089 20 0 DBADRM CC[C@@](C)(CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)OC ZINC000424395768 265931601 /nfs/dbraw/zinc/93/16/01/265931601.db2.gz FSVLDGJXJBFROD-CABZTGNLSA-N -1 0 322.383 -0.305 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Nc2cncc(F)c2)CCS1(=O)=O ZINC000424385572 265931621 /nfs/dbraw/zinc/93/16/21/265931621.db2.gz GRMFGJDNVVAGFG-SECBINFHSA-N -1 0 317.298 -0.064 20 0 DBADRM CC[C@H](CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)OC ZINC000424395815 265931767 /nfs/dbraw/zinc/93/17/67/265931767.db2.gz FWDGGLCTYZBJES-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM CC1(C)OCC[C@@H]1NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424399988 265931994 /nfs/dbraw/zinc/93/19/94/265931994.db2.gz SEUHCMAJLDKYOL-IUCAKERBSA-N -1 0 320.367 -0.553 20 0 DBADRM CCC(CC)(CNC(=O)NC[C@@H](O)Cn1ccnn1)C(=O)[O-] ZINC000424422349 265932796 /nfs/dbraw/zinc/93/27/96/265932796.db2.gz FLKZQXSRPFYVLC-SNVBAGLBSA-N -1 0 313.358 -0.171 20 0 DBADRM CC[C@H](COC)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424406957 265933131 /nfs/dbraw/zinc/93/31/31/265933131.db2.gz KCXBMSFCRBHIFY-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2-c2ccccc2)CCS1(=O)=O ZINC000424477646 265936515 /nfs/dbraw/zinc/93/65/15/265936515.db2.gz WALNESDJJGPWIT-SNVBAGLBSA-N -1 0 323.334 -0.650 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@@](F)(CO)C1)C(=O)[O-] ZINC000424485998 265936688 /nfs/dbraw/zinc/93/66/88/265936688.db2.gz DPWCKZWPCUCOGL-HZMBPMFUSA-N -1 0 318.345 -0.218 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](O)C1)C(=O)[O-] ZINC000424486863 265937639 /nfs/dbraw/zinc/93/76/39/265937639.db2.gz GVECJFTZVPJQPR-WDEREUQCSA-N -1 0 300.355 -0.167 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000424745766 265941853 /nfs/dbraw/zinc/94/18/53/265941853.db2.gz ZYYLLPAUQRFOPI-SAHAZLINSA-N -1 0 324.358 -0.276 20 0 DBADRM CN1CC[C@H](CNS(=O)(=O)[N-]CC(F)(F)F)CC1=O ZINC000425188776 265946599 /nfs/dbraw/zinc/94/65/99/265946599.db2.gz YLIVENQOMIICQX-ZETCQYMHSA-N -1 0 303.306 -0.159 20 0 DBADRM CC(=O)N[C@@H]1CCCN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000428341358 265974262 /nfs/dbraw/zinc/97/42/62/265974262.db2.gz WJHGFFYDMYAQAQ-MRVPVSSYSA-N -1 0 303.306 -0.016 20 0 DBADRM O=C(Cn1cnc2sccc2c1=O)NC1(c2nnn[n-]2)CC1 ZINC000430322476 266001922 /nfs/dbraw/zinc/00/19/22/266001922.db2.gz PHDVRKNYGATQNC-UHFFFAOYSA-N -1 0 317.334 -0.223 20 0 DBADRM CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000430328776 266002133 /nfs/dbraw/zinc/00/21/33/266002133.db2.gz OSYMZUUNGGYDKW-YUMQZZPRSA-N -1 0 316.387 -0.731 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)NC1(c2nnn[n-]2)CC1 ZINC000430318610 266002201 /nfs/dbraw/zinc/00/22/01/266002201.db2.gz LCNBMIQNRLHDRL-UHFFFAOYSA-N -1 0 302.360 -0.976 20 0 DBADRM CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000430328774 266002412 /nfs/dbraw/zinc/00/24/12/266002412.db2.gz OSYMZUUNGGYDKW-JGVFFNPUSA-N -1 0 316.387 -0.731 20 0 DBADRM Cc1noc(=NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)[n-]1 ZINC000431324013 266019891 /nfs/dbraw/zinc/01/98/91/266019891.db2.gz SESQBFIBXIEUSP-UHFFFAOYSA-N -1 0 301.262 -0.266 20 0 DBADRM O=C(NCCNC(=O)c1cc(F)cc2n[nH]nc21)c1ccn[nH]1 ZINC000431808264 266026010 /nfs/dbraw/zinc/02/60/10/266026010.db2.gz BKWDSQVCOTWGGP-UHFFFAOYSA-N -1 0 317.284 -0.020 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)CSCC(=O)[O-] ZINC000432121340 266026943 /nfs/dbraw/zinc/02/69/43/266026943.db2.gz FWWJRPRCUIGQKZ-BDAKNGLRSA-N -1 0 324.424 -0.219 20 0 DBADRM CCC[C@H](NC(=O)CCCN1C(=O)CNC1=O)c1nnn[n-]1 ZINC000434762842 266056126 /nfs/dbraw/zinc/05/61/26/266056126.db2.gz IQQDNZOZFRDYJG-QMMMGPOBSA-N -1 0 309.330 -0.511 20 0 DBADRM CC(C)(C)c1nc(=NC(=O)NCCC(=O)NC(N)=O)s[n-]1 ZINC000437798964 266077202 /nfs/dbraw/zinc/07/72/02/266077202.db2.gz KQDYJWHOUVSIPL-UHFFFAOYSA-N -1 0 314.371 -0.036 20 0 DBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N[C@@H]2CNC(=O)C2)s[n-]1 ZINC000440470073 266101907 /nfs/dbraw/zinc/10/19/07/266101907.db2.gz LZSFBNKMNCSANH-LURJTMIESA-N -1 0 311.367 -0.799 20 0 DBADRM C[C@@]1(NS(=O)(=O)[N-]CC(F)(F)F)CCS(=O)(=O)C1 ZINC000442927399 266132444 /nfs/dbraw/zinc/13/24/44/266132444.db2.gz UFBORDMYCAEWEV-ZCFIWIBFSA-N -1 0 310.319 -0.450 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)[N-]CC(F)(F)F)CCS1(=O)=O ZINC000442944344 266134183 /nfs/dbraw/zinc/13/41/83/266134183.db2.gz LZSQJTJUKIMXMI-ZCFIWIBFSA-N -1 0 310.319 -0.498 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)[N-]CC(F)(F)F)O1 ZINC000443030121 266134891 /nfs/dbraw/zinc/13/48/91/266134891.db2.gz XLLBVSQOBUVGKG-RITPCOANSA-N -1 0 305.278 -0.994 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NC[C@H]1CCCS1(=O)=O ZINC000443030943 266134949 /nfs/dbraw/zinc/13/49/49/266134949.db2.gz VTWAPZRVMVGKCY-ZCFIWIBFSA-N -1 0 310.319 -0.450 20 0 DBADRM CNC(=O)N[C@@H]1CCN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000443050808 266135340 /nfs/dbraw/zinc/13/53/40/266135340.db2.gz QPKYMRRQKVIEGT-ZCFIWIBFSA-N -1 0 304.294 -0.614 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NC[C@@H]1CCCCS1(=O)=O ZINC000443049540 266135354 /nfs/dbraw/zinc/13/53/54/266135354.db2.gz SUCSJFJQWSPKOP-ZETCQYMHSA-N -1 0 324.346 -0.060 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000443048919 266135429 /nfs/dbraw/zinc/13/54/29/266135429.db2.gz RVFRVCRONYLGPN-ZETCQYMHSA-N -1 0 324.346 -0.108 20 0 DBADRM O=C1N=NC2CN(S(=O)(=O)[N-]CC(F)(F)F)CCN12 ZINC000443039510 266135559 /nfs/dbraw/zinc/13/55/59/266135559.db2.gz BQDLLJIEUPVMDO-UHFFFAOYSA-N -1 0 301.250 -0.804 20 0 DBADRM CC(C)(NC(=O)CNC(=O)C=Cc1cccnc1)c1nnn[n-]1 ZINC000492041502 266151793 /nfs/dbraw/zinc/15/17/93/266151793.db2.gz NSBRNPFHDGATGL-WAYWQWQTSA-N -1 0 315.337 -0.224 20 0 DBADRM Cn1cc(/C=C/C(=O)N2CC[C@](C)(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000492136294 266152939 /nfs/dbraw/zinc/15/29/39/266152939.db2.gz HNPFLDVOHYHRCI-RGDDUWESSA-N -1 0 321.333 -0.580 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@@H](C(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000492137467 266153488 /nfs/dbraw/zinc/15/34/88/266153488.db2.gz JKXJGISQNCRNQW-ISALQUGTSA-N -1 0 307.306 -0.923 20 0 DBADRM CCn1nccc1/C=C/C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000492225083 266154523 /nfs/dbraw/zinc/15/45/23/266154523.db2.gz HHEWWICFMQEXFE-ONEGZZNKSA-N -1 0 314.367 -0.391 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000492153003 266155665 /nfs/dbraw/zinc/15/56/65/266155665.db2.gz FJENKSKBBBBSHC-WAYWQWQTSA-N -1 0 309.322 -0.580 20 0 DBADRM CCn1nccc1/C=C\C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000492225074 266155723 /nfs/dbraw/zinc/15/57/23/266155723.db2.gz HHEWWICFMQEXFE-ARJAWSKDSA-N -1 0 314.367 -0.391 20 0 DBADRM Cc1c(/C=C/C(=O)[N-]S(=O)(=O)N2CCOCC2)cnn1C ZINC000492303606 266158851 /nfs/dbraw/zinc/15/88/51/266158851.db2.gz HUSKCGHFAZKNNY-ONEGZZNKSA-N -1 0 314.367 -0.565 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@](C)(C(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000492386365 266160320 /nfs/dbraw/zinc/16/03/20/266160320.db2.gz MIXMWACMOXOILD-SZTZYQKNSA-N -1 0 321.333 -0.533 20 0 DBADRM Cn1cc(/C=C\C(=O)NC2(C(=O)[O-])CCC2)c(=O)n(C)c1=O ZINC000492385363 266160399 /nfs/dbraw/zinc/16/03/99/266160399.db2.gz IUHWWYLZRCJGQK-PLNGDYQASA-N -1 0 307.306 -0.779 20 0 DBADRM COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cn1 ZINC000492729183 266163829 /nfs/dbraw/zinc/16/38/29/266163829.db2.gz ACDWDCKGKXLLNV-ONEGZZNKSA-N -1 0 323.334 -0.263 20 0 DBADRM COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)c2cnnn2C)cn1 ZINC000492699959 266164448 /nfs/dbraw/zinc/16/44/48/266164448.db2.gz DNVNYBFRXGSLNK-ARJAWSKDSA-N -1 0 324.322 -0.868 20 0 DBADRM CCn1ccnc1/C=C\C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000492760972 266165646 /nfs/dbraw/zinc/16/56/46/266165646.db2.gz KBODBFQPQCQUEH-PLNGDYQASA-N -1 0 310.339 -0.450 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C\c1cncc(O)c1 ZINC000492857429 266166821 /nfs/dbraw/zinc/16/68/21/266166821.db2.gz KJTREVSPLHQTIL-IHWYPQMZSA-N -1 0 313.335 -0.618 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000492846936 266167334 /nfs/dbraw/zinc/16/73/34/266167334.db2.gz SPFBXPANMUUYLC-UHFFFAOYSA-N -1 0 305.312 -0.243 20 0 DBADRM Cc1ccc(/C=C/C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC000492860506 266167722 /nfs/dbraw/zinc/16/77/22/266167722.db2.gz OXAAETKRZAPFMT-AATRIKPKSA-N -1 0 311.363 -0.015 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000492983760 266168211 /nfs/dbraw/zinc/16/82/11/266168211.db2.gz MUOZKTUKPUENKJ-YZXSGCCBSA-N -1 0 321.333 -0.533 20 0 DBADRM CO[C@H](CNC(=O)CNC(=O)/C=C/c1cccnc1)C(=O)[O-] ZINC000493197237 266171881 /nfs/dbraw/zinc/17/18/81/266171881.db2.gz AKRGKJXTEAVUND-SGUJLRQBSA-N -1 0 307.306 -0.573 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)/C=C\c1ccnn1C ZINC000493194736 266171907 /nfs/dbraw/zinc/17/19/07/266171907.db2.gz HBHUBSICPWJXNL-PLNGDYQASA-N -1 0 309.351 -0.020 20 0 DBADRM COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)cn1 ZINC000493327441 266174153 /nfs/dbraw/zinc/17/41/53/266174153.db2.gz AHWMOKHEAVEQFW-XNPJLODASA-N -1 0 315.351 -0.021 20 0 DBADRM C[C@H](CC(=O)[O-])N(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000493350668 266174262 /nfs/dbraw/zinc/17/42/62/266174262.db2.gz JGVVVDRLEPCBRA-VUHVRTRXSA-N -1 0 309.322 -0.581 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000493377270 266174807 /nfs/dbraw/zinc/17/48/07/266174807.db2.gz RLCUTIZKFBTUIF-UHFFFAOYSA-N -1 0 302.312 -0.582 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)/C=C\C2CCOCC2)CCS1(=O)=O ZINC000493568577 266178047 /nfs/dbraw/zinc/17/80/47/266178047.db2.gz OURVKIPABAIPNB-BVBSBALXSA-N -1 0 317.363 -0.321 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)/C=C\C2CCOCC2)CCS1(=O)=O ZINC000493568580 266178193 /nfs/dbraw/zinc/17/81/93/266178193.db2.gz OURVKIPABAIPNB-RFMOXSJOSA-N -1 0 317.363 -0.321 20 0 DBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)/C=C/c2ccnn2C)cn1 ZINC000493524698 266178322 /nfs/dbraw/zinc/17/83/22/266178322.db2.gz MMXZLFYCXNUBIM-ONEGZZNKSA-N -1 0 309.351 -0.187 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)NC[C@@H](OC)C(=O)[O-])c1 ZINC000493754353 266180458 /nfs/dbraw/zinc/18/04/58/266180458.db2.gz YHOXBJRTHNKDLO-PGLGOXFNSA-N -1 0 307.306 -0.330 20 0 DBADRM Cc1c(/C=C/C(=O)NCCC(=O)[N-]S(C)(=O)=O)cnn1C ZINC000493830413 266182064 /nfs/dbraw/zinc/18/20/64/266182064.db2.gz YDDOKDCDJXCHNW-SNAWJCMRSA-N -1 0 314.367 -0.676 20 0 DBADRM CNC(=O)c1cncc(C=CC(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000493841429 266182439 /nfs/dbraw/zinc/18/24/39/266182439.db2.gz FKAGOVLUQVTWFJ-IHWYPQMZSA-N -1 0 317.305 -0.510 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)/C=C/c2ccc[nH]2)cc1C(N)=O ZINC000493835629 266182482 /nfs/dbraw/zinc/18/24/82/266182482.db2.gz JWPCBKGVCYCZCV-SNAWJCMRSA-N -1 0 322.346 -0.030 20 0 DBADRM CC(C)(C)c1nc(=NC(=O)C(=O)NC[C@H](O)C(F)F)s[n-]1 ZINC000494236439 266189641 /nfs/dbraw/zinc/18/96/41/266189641.db2.gz DCWJZRVMFCWLPK-YFKPBYRVSA-N -1 0 322.337 -0.062 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)Cc1cccc(OC)c1 ZINC000495253812 266202551 /nfs/dbraw/zinc/20/25/51/266202551.db2.gz PVYLPRQLQZLDNX-UHFFFAOYSA-N -1 0 316.335 -0.003 20 0 DBADRM C[C@](O)(CNC(=O)CNC(=O)OCC(F)(F)F)C(=O)[O-] ZINC000495342145 266203577 /nfs/dbraw/zinc/20/35/77/266203577.db2.gz JMDHUARNBMRCMN-QMMMGPOBSA-N -1 0 302.205 -0.773 20 0 DBADRM C[C@@](O)(CNC(=O)CCNC(=O)OCC(F)(F)F)C(=O)[O-] ZINC000495424341 266205144 /nfs/dbraw/zinc/20/51/44/266205144.db2.gz LDYLSKJNJCIQLJ-SECBINFHSA-N -1 0 316.232 -0.383 20 0 DBADRM CCOC(=O)N1CCC(C(=O)NC[C@@](C)(O)C(=O)[O-])CC1 ZINC000495463440 266205954 /nfs/dbraw/zinc/20/59/54/266205954.db2.gz KIDBPAYWPNCMHM-CYBMUJFWSA-N -1 0 302.327 -0.193 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000495623706 266211968 /nfs/dbraw/zinc/21/19/68/266211968.db2.gz PSMWORZPEIQUGN-SECBINFHSA-N -1 0 308.356 -0.395 20 0 DBADRM CO[C@H](C)C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C ZINC000495753104 266216024 /nfs/dbraw/zinc/21/60/24/266216024.db2.gz DRISAWIOOLILMT-MRVPVSSYSA-N -1 0 310.372 -0.008 20 0 DBADRM CCOC(=O)NCCCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000495777631 266216962 /nfs/dbraw/zinc/21/69/62/266216962.db2.gz NPOIMSKFBQUABU-UHFFFAOYSA-N -1 0 323.371 -0.905 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)CCc1scnc1C ZINC000495821478 266219575 /nfs/dbraw/zinc/21/95/75/266219575.db2.gz WCXRKGVRKBSNPO-UHFFFAOYSA-N -1 0 321.380 -0.204 20 0 DBADRM COC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@H](C)OC)C1 ZINC000495858644 266220505 /nfs/dbraw/zinc/22/05/05/266220505.db2.gz WYAIWDJEQKKPJR-UWVGGRQHSA-N -1 0 322.383 -0.054 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)OC[C@@H]2CCCO2)CCS1(=O)=O ZINC000496110555 266226317 /nfs/dbraw/zinc/22/63/17/266226317.db2.gz XNNKFHNTPKGXIO-IUCAKERBSA-N -1 0 307.324 -0.514 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)[N-]OCC(N)=O)=NO1 ZINC000496718457 266243437 /nfs/dbraw/zinc/24/34/37/266243437.db2.gz KDQGLRCJMCSMDP-ZETCQYMHSA-N -1 0 316.314 -0.811 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000496702073 266243835 /nfs/dbraw/zinc/24/38/35/266243835.db2.gz NSDKCMKIDXLIKV-UHFFFAOYSA-N -1 0 303.296 -0.749 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1ncc(Cl)cn1 ZINC000496829669 266246758 /nfs/dbraw/zinc/24/67/58/266246758.db2.gz RPHRQKNZSZZNNN-UHFFFAOYSA-N -1 0 308.703 -0.709 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-] ZINC000514661774 266262857 /nfs/dbraw/zinc/26/28/57/266262857.db2.gz RRDPTGNPTLPAMY-KOLCDFICSA-N -1 0 309.384 -0.053 20 0 DBADRM C[C@H](O)[C@H](NS(=O)(=O)c1cn2c(n1)CCC[C@H]2C)C(=O)[O-] ZINC000514783305 266264830 /nfs/dbraw/zinc/26/48/30/266264830.db2.gz XSGGIRRNHAXGKP-FYBVGQRMSA-N -1 0 317.367 -0.107 20 0 DBADRM COCCN(CCOC)S(=O)(=O)NC1(CC(=O)[O-])CC1 ZINC000514792412 266264978 /nfs/dbraw/zinc/26/49/78/266264978.db2.gz KILAWWYLHYENAD-UHFFFAOYSA-N -1 0 310.372 -0.577 20 0 DBADRM O=C([O-])Cn1cc(CNS(=O)(=O)CCOCC2CC2)nn1 ZINC000515054219 266267823 /nfs/dbraw/zinc/26/78/23/266267823.db2.gz CEIZMWPWMFVEGO-UHFFFAOYSA-N -1 0 318.355 -0.791 20 0 DBADRM CCOc1ccccc1C(=O)NCC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000515060058 266267844 /nfs/dbraw/zinc/26/78/44/266267844.db2.gz UDWXRECJABFGEC-OAHLLOKOSA-N -1 0 324.333 -0.233 20 0 DBADRM Cc1c[nH]cc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1=O ZINC000515176566 266268674 /nfs/dbraw/zinc/26/86/74/266268674.db2.gz VQCAVNXSQOBEAW-SECBINFHSA-N -1 0 314.319 -0.993 20 0 DBADRM CNS(=O)(=O)c1cccc(CNC(=O)N[C@H](C)C(=O)[O-])c1 ZINC000515322081 266270864 /nfs/dbraw/zinc/27/08/64/266270864.db2.gz ASPXCDQEGALOHT-MRVPVSSYSA-N -1 0 315.351 -0.133 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)C1 ZINC000515467548 266272176 /nfs/dbraw/zinc/27/21/76/266272176.db2.gz COUBQJQEXMANCX-SCZZXKLOSA-N -1 0 302.356 -0.278 20 0 DBADRM O=C([O-])C[C@H]1CN(S(=O)(=O)CC[C@H]2CCOC2)CCO1 ZINC000515643200 266273488 /nfs/dbraw/zinc/27/34/88/266273488.db2.gz FKBXOVWJCBDLHP-MNOVXSKESA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@H](O)[C@H]1CCN(c2cc(N3CCO[C@H](C(=O)[O-])C3)ncn2)C1 ZINC000515487544 266274011 /nfs/dbraw/zinc/27/40/11/266274011.db2.gz XBMBMVAJNWGZCV-SRVKXCTJSA-N -1 0 322.365 -0.027 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)CCS1(=O)=O ZINC000516174608 266277829 /nfs/dbraw/zinc/27/78/29/266277829.db2.gz GTZOZAFRXWXLIC-QCLAVDOMSA-N -1 0 302.352 -0.322 20 0 DBADRM COC(=O)[C@H](O)C1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000516179832 266278886 /nfs/dbraw/zinc/27/88/86/266278886.db2.gz HGDMKHGSIGAAKF-LLVKDONJSA-N -1 0 302.327 -0.193 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000516187749 266278947 /nfs/dbraw/zinc/27/89/47/266278947.db2.gz WLOOYQOXTBXYNH-VIFPVBQESA-N -1 0 306.384 -0.069 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](C)C(=O)[O-])cn1 ZINC000516290863 266280855 /nfs/dbraw/zinc/28/08/55/266280855.db2.gz ZLYIQEPWORIFAO-MRVPVSSYSA-N -1 0 315.351 -0.218 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)C1(C(=O)[O-])CCOCC1 ZINC000516772640 266284745 /nfs/dbraw/zinc/28/47/45/266284745.db2.gz FFAZJBABGSBJMM-UHFFFAOYSA-N -1 0 314.338 -0.815 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-] ZINC000516925338 266286203 /nfs/dbraw/zinc/28/62/03/266286203.db2.gz OEHUKRRHKTUOKV-SECBINFHSA-N -1 0 304.324 -0.142 20 0 DBADRM O=C([O-])C[C@]1(NS(=O)(=O)CC2CCOCC2)CCOC1 ZINC000516966076 266287803 /nfs/dbraw/zinc/28/78/03/266287803.db2.gz TUYDYWNVXVINDU-GFCCVEGCSA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cnn2c1OCCC2 ZINC000517137976 266290045 /nfs/dbraw/zinc/29/00/45/266290045.db2.gz SDFIUHFNAIEXFF-MRVPVSSYSA-N -1 0 301.324 -0.097 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)N1CC[C@H]1C(=O)[O-] ZINC000517218046 266291357 /nfs/dbraw/zinc/29/13/57/266291357.db2.gz RAXWCTMDUKZYQC-YFKPBYRVSA-N -1 0 306.321 -0.223 20 0 DBADRM NC(=O)c1cccnc1N1CCN(C(=O)CCC(=O)[O-])CC1 ZINC000517565073 266294492 /nfs/dbraw/zinc/29/44/92/266294492.db2.gz OZZZHPNBLLSBII-UHFFFAOYSA-N -1 0 306.322 -0.306 20 0 DBADRM C[C@H](COC1CCCC1)CS(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000517747675 266296299 /nfs/dbraw/zinc/29/62/99/266296299.db2.gz BMGCRJYZDYQEQU-MWLCHTKSSA-N -1 0 309.384 -0.053 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC000517742683 266297124 /nfs/dbraw/zinc/29/71/24/266297124.db2.gz HRKZFZVRJCFPRP-WEDXCCLWSA-N -1 0 303.340 -0.329 20 0 DBADRM COC(=O)Cc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000518461608 266301348 /nfs/dbraw/zinc/30/13/48/266301348.db2.gz JRKYEYGDJZBUSF-SNVBAGLBSA-N -1 0 317.319 -0.874 20 0 DBADRM Cn1[n-]nnc1=NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000518594248 266303717 /nfs/dbraw/zinc/30/37/17/266303717.db2.gz VAQRDUWDBPMJBC-CYBMUJFWSA-N -1 0 301.310 -0.701 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)C1 ZINC000518796892 266305335 /nfs/dbraw/zinc/30/53/35/266305335.db2.gz CYRSJRSLDPPESC-MXWKQRLJSA-N -1 0 306.384 -0.270 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)CCc1cccs1)C(=O)[O-] ZINC000519409081 266308043 /nfs/dbraw/zinc/30/80/43/266308043.db2.gz SQJRAFAVHRTCBQ-MRVPVSSYSA-N -1 0 306.365 -0.461 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000519600669 266311722 /nfs/dbraw/zinc/31/17/22/266311722.db2.gz GIVGJUMIWAWYFR-KOLCDFICSA-N -1 0 319.383 -0.003 20 0 DBADRM CN(C)c1cccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC000519703271 266312613 /nfs/dbraw/zinc/31/26/13/266312613.db2.gz BEYJQMDLZCINPX-NSHDSACASA-N -1 0 302.352 -0.134 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000519780034 266315211 /nfs/dbraw/zinc/31/52/11/266315211.db2.gz VCWCWKWADVUNOA-SNVBAGLBSA-N -1 0 322.383 -0.352 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)[C@@H]3COCCO3)C2)nn1 ZINC000519818583 266315344 /nfs/dbraw/zinc/31/53/44/266315344.db2.gz DWEKECPYEACMPK-ONGXEEELSA-N -1 0 310.310 -0.445 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NCCN1CCCC1=O)C(=O)[O-] ZINC000519829130 266316803 /nfs/dbraw/zinc/31/68/03/266316803.db2.gz RYZQWMXJZJZVQF-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000520195410 266316869 /nfs/dbraw/zinc/31/68/69/266316869.db2.gz KFABLQHWTSKFGW-JLIMGVALSA-N -1 0 323.367 -0.528 20 0 DBADRM CC[C@@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000520314428 266318331 /nfs/dbraw/zinc/31/83/31/266318331.db2.gz SZEKPUSVZVDMCG-MRVPVSSYSA-N -1 0 322.321 -0.831 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C(=O)[O-] ZINC000520582896 266320293 /nfs/dbraw/zinc/32/02/93/266320293.db2.gz DOQNUHDRHQKWMZ-ZJUUUORDSA-N -1 0 309.322 -0.884 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)[C@H]2CCOC2)C1 ZINC000520797290 266321880 /nfs/dbraw/zinc/32/18/80/266321880.db2.gz CUVTXPVHTYDNBN-JQWIXIFHSA-N -1 0 307.368 -0.082 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC000521063678 266324772 /nfs/dbraw/zinc/32/47/72/266324772.db2.gz YCPUZLQXSBGQSC-CYBMUJFWSA-N -1 0 305.294 -0.464 20 0 DBADRM COCC1(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)CC1 ZINC000521271818 266326804 /nfs/dbraw/zinc/32/68/04/266326804.db2.gz MMULJFUJKJAIEJ-VHSXEESVSA-N -1 0 307.368 -0.347 20 0 DBADRM CCOc1ccncc1S(=O)(=O)NCCOCC(=O)[O-] ZINC000521620158 266328351 /nfs/dbraw/zinc/32/83/51/266328351.db2.gz JGYYTYAJHMCDGV-UHFFFAOYSA-N -1 0 304.324 -0.140 20 0 DBADRM C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)NCCCC(=O)[O-] ZINC000521875232 266329956 /nfs/dbraw/zinc/32/99/56/266329956.db2.gz VURFFIFESDAKBU-VIFPVBQESA-N -1 0 315.370 -0.271 20 0 DBADRM COc1cc(CN=c2nn[n-]n2C)ccc1OCC(=O)N(C)C ZINC000521665804 266330168 /nfs/dbraw/zinc/33/01/68/266330168.db2.gz LRFAWMFBBZTJGQ-UHFFFAOYSA-N -1 0 320.353 -0.280 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000521885027 266332084 /nfs/dbraw/zinc/33/20/84/266332084.db2.gz KUMMJNAMVCFWFJ-AWEZNQCLSA-N -1 0 317.305 -0.056 20 0 DBADRM Cn1[n-]nnc1=NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000522106287 266333772 /nfs/dbraw/zinc/33/37/72/266333772.db2.gz KZFRTBSYTRDZPJ-SNVBAGLBSA-N -1 0 318.337 -0.632 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])c1scnc1C ZINC000526060856 266350058 /nfs/dbraw/zinc/35/00/58/266350058.db2.gz IBDOCCSJRXEVPL-MRVPVSSYSA-N -1 0 323.396 -0.010 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)c2cccc3n[nH]nc32)C1 ZINC000527111731 266353385 /nfs/dbraw/zinc/35/33/85/266353385.db2.gz IOGRAKTYTGUVDP-SECBINFHSA-N -1 0 323.378 -0.031 20 0 DBADRM COC1CCN(C(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])CC1 ZINC000527067424 266354095 /nfs/dbraw/zinc/35/40/95/266354095.db2.gz CCSLLHNMULNBJV-CFMSYZGJSA-N -1 0 304.368 -0.265 20 0 DBADRM COC1CCN(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CC1 ZINC000527317130 266356901 /nfs/dbraw/zinc/35/69/01/266356901.db2.gz YSSXQYUAZNIJJX-SNVBAGLBSA-N -1 0 320.367 -0.599 20 0 DBADRM O=C([N-]S(=O)(=O)C1CCC1)c1cn(C[C@H]2CCOC2)nn1 ZINC000529000635 266382479 /nfs/dbraw/zinc/38/24/79/266382479.db2.gz HKUKFIVMFUAJPK-SECBINFHSA-N -1 0 314.367 -0.073 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccnc(NC(C)=O)c1 ZINC000528958448 266382516 /nfs/dbraw/zinc/38/25/16/266382516.db2.gz IYXKQYPFIOFUOK-UHFFFAOYSA-N -1 0 300.340 -0.034 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cnnc2ccccc21 ZINC000528958296 266382948 /nfs/dbraw/zinc/38/29/48/266382948.db2.gz FGXWMZDPUDBHSJ-UHFFFAOYSA-N -1 0 322.346 -0.063 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)C1 ZINC000529115082 266383390 /nfs/dbraw/zinc/38/33/90/266383390.db2.gz WYHTZURSOIENDE-SNVBAGLBSA-N -1 0 304.368 -0.522 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)nnn1C ZINC000529111855 266383567 /nfs/dbraw/zinc/38/35/67/266383567.db2.gz WKMQDKHVMPMXNR-QMMMGPOBSA-N -1 0 302.356 -0.249 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)CN2CCOCC2)CO1 ZINC000529112845 266383690 /nfs/dbraw/zinc/38/36/90/266383690.db2.gz CMNYALPOJGXSIM-SNVBAGLBSA-N -1 0 306.384 -0.668 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000529102426 266383740 /nfs/dbraw/zinc/38/37/40/266383740.db2.gz FKIYRHBTTUUMQW-MRVPVSSYSA-N -1 0 302.356 -0.075 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)CC1=O ZINC000529102769 266384127 /nfs/dbraw/zinc/38/41/27/266384127.db2.gz DKYQZRHOPCGGBS-ZJUUUORDSA-N -1 0 318.395 -0.132 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N=c2nc(C3(C)CC3)[n-]s2)c1=O ZINC000529702315 266393032 /nfs/dbraw/zinc/39/30/32/266393032.db2.gz BKNGAFVXSNGTTQ-UHFFFAOYSA-N -1 0 321.362 -0.489 20 0 DBADRM CN1CCN(CC(=O)N=c2nc(C3(C)CC3)[n-]s2)CC1=O ZINC000529698760 266393228 /nfs/dbraw/zinc/39/32/28/266393228.db2.gz NHMBVVZUUUDWCJ-UHFFFAOYSA-N -1 0 309.395 -0.276 20 0 DBADRM CC1(c2nc(=NC(=O)C3=NN(CCO)C(=O)CC3)s[n-]2)CC1 ZINC000529700183 266393289 /nfs/dbraw/zinc/39/32/89/266393289.db2.gz YKEKBXFAFOZMNA-UHFFFAOYSA-N -1 0 323.378 -0.079 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC000530141436 266404509 /nfs/dbraw/zinc/40/45/09/266404509.db2.gz VMAHGBPYNVDOBL-LLVKDONJSA-N -1 0 320.411 -0.167 20 0 DBADRM CCOC[C@@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])CCO1 ZINC000530153869 266405733 /nfs/dbraw/zinc/40/57/33/266405733.db2.gz YTXNDLMGAGMSSJ-JTQLQIEISA-N -1 0 310.372 -0.625 20 0 DBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCC23CC(C2)CO3)C1 ZINC000530153243 266406172 /nfs/dbraw/zinc/40/61/72/266406172.db2.gz VWDAJLJTOSAXAW-YZRBJQDESA-N -1 0 304.368 -0.204 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000532001598 269567864 /nfs/dbraw/zinc/56/78/64/269567864.db2.gz ROBZYVZGURRYKE-LURJTMIESA-N -1 0 306.365 -0.083 20 0 DBADRM C[C@@H](CNC(=O)Cc1ccc(S(N)(=O)=O)s1)C(=O)[O-] ZINC000532003790 269567892 /nfs/dbraw/zinc/56/78/92/269567892.db2.gz PJKBUROJHRVPPE-LURJTMIESA-N -1 0 306.365 -0.225 20 0 DBADRM CC(=O)NCCN(C(=O)CCCC(=O)N(C)C)[C@@H](C)C(=O)[O-] ZINC000262277411 278104396 /nfs/dbraw/zinc/10/43/96/278104396.db2.gz WDSBHNZFDHQACO-JTQLQIEISA-N -1 0 315.370 -0.317 20 0 DBADRM CC(=O)NCCN(C(=O)CN1CCCCC1=O)[C@H](C)C(=O)[O-] ZINC000262269434 278104614 /nfs/dbraw/zinc/10/46/14/278104614.db2.gz UMGAYDIKOIWQMB-SNVBAGLBSA-N -1 0 313.354 -0.563 20 0 DBADRM CC(=O)NCCN(C(=O)c1cnn2cccnc12)[C@H](C)C(=O)[O-] ZINC000262196080 278109087 /nfs/dbraw/zinc/10/90/87/278109087.db2.gz HLRDHSSFLFBJAB-SECBINFHSA-N -1 0 319.321 -0.219 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)CCOC(C)C ZINC000262487120 278112592 /nfs/dbraw/zinc/11/25/92/278112592.db2.gz WUDTVGUFEIHLSV-JTQLQIEISA-N -1 0 324.399 -0.348 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccnn1C ZINC000262492209 278112940 /nfs/dbraw/zinc/11/29/40/278112940.db2.gz XQGVEGYSCSVZIE-QMMMGPOBSA-N -1 0 318.355 -0.980 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1c[nH]c(C)n1 ZINC000275168395 278113006 /nfs/dbraw/zinc/11/30/06/278113006.db2.gz UYZMIHGRIBMYHY-ZETCQYMHSA-N -1 0 318.355 -0.682 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1c[nH]c(C)n1 ZINC000275168393 278113445 /nfs/dbraw/zinc/11/34/45/278113445.db2.gz UYZMIHGRIBMYHY-SSDOTTSWSA-N -1 0 318.355 -0.682 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)NC1(C(=O)[O-])CCCC1 ZINC000262534720 278114011 /nfs/dbraw/zinc/11/40/11/278114011.db2.gz JNVIDIBOBBLXND-UHFFFAOYSA-N -1 0 313.354 -0.468 20 0 DBADRM CC(C)(C)[C@@H]1CCN(C(=O)C(=O)NCCC(=O)[O-])C[C@@H]1O ZINC000420586354 278505014 /nfs/dbraw/zinc/50/50/14/278505014.db2.gz CSJSBOQEVIATAQ-ZJUUUORDSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](CO)C1)C(=O)[O-] ZINC000424498324 279145338 /nfs/dbraw/zinc/14/53/38/279145338.db2.gz XCHLKGHNWZDWRD-UTUOFQBUSA-N -1 0 314.382 -0.064 20 0 DBADRM CC(C)C[C@H](CNC(=O)N1CCC[C@](O)(C(N)=O)C1)C(=O)[O-] ZINC000262558815 279150289 /nfs/dbraw/zinc/15/02/89/279150289.db2.gz UTVQVSKQCJTVAV-QMTHXVAHSA-N -1 0 315.370 -0.245 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000262315647 279736193 /nfs/dbraw/zinc/73/61/93/279736193.db2.gz CBKUBMWGKFFGLN-GXFFZTMASA-N -1 0 319.379 -0.241 20 0 DBADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000262956751 280119152 /nfs/dbraw/zinc/11/91/52/280119152.db2.gz LQWVGDIDISLONF-CYBMUJFWSA-N -1 0 318.395 -0.019 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)CC(=O)N(C)C)C1=O ZINC000358714560 280187229 /nfs/dbraw/zinc/18/72/29/280187229.db2.gz MWIBCAGLLCBYDL-BXKDBHETSA-N -1 0 313.354 -0.709 20 0 DBADRM CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)N(C)CCC(=O)OC ZINC000367882511 288366462 /nfs/dbraw/zinc/36/64/62/288366462.db2.gz DFAACZXYFHGLEY-UWVGGRQHSA-N -1 0 322.383 -0.089 20 0 DBADRM CCC(CC)(CC(=O)[O-])NC(=O)CNC(=O)CNC(C)=O ZINC000262120813 282048507 /nfs/dbraw/zinc/04/85/07/282048507.db2.gz ISWSGZVMOVWUJW-UHFFFAOYSA-N -1 0 301.343 -0.612 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000414606403 289582822 /nfs/dbraw/zinc/58/28/22/289582822.db2.gz FBXRXQAEPJSVJX-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CN1C[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1=O ZINC000349199985 290278035 /nfs/dbraw/zinc/27/80/35/290278035.db2.gz YYGHCXSNAZCWOZ-QMMMGPOBSA-N -1 0 317.305 -0.213 20 0 DBADRM C[C@H]1C(=O)NCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000104693578 290311777 /nfs/dbraw/zinc/31/17/77/290311777.db2.gz CMPHWHLMQDRUDP-VIFPVBQESA-N -1 0 308.363 -0.171 20 0 DBADRM COC[C@H](C)S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000262462200 293046414 /nfs/dbraw/zinc/04/64/14/293046414.db2.gz SKBMIWFUMDJVEN-IUCAKERBSA-N -1 0 310.372 -0.738 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)NC1CCCCC1)C(=O)[O-] ZINC000263141399 293122613 /nfs/dbraw/zinc/12/26/13/293122613.db2.gz YKGWJTZYZGQILV-JTQLQIEISA-N -1 0 301.343 -0.166 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000251568584 297052273 /nfs/dbraw/zinc/05/22/73/297052273.db2.gz DFFFCJIRESEUTD-BBBLOLIVSA-N -1 0 308.356 -0.874 20 0 DBADRM COc1ccc(S(=O)(=O)NCCCC(=O)[O-])cc1C(N)=O ZINC000037419969 295198266 /nfs/dbraw/zinc/19/82/66/295198266.db2.gz IPHRFFPUXUGTQJ-UHFFFAOYSA-N -1 0 316.335 -0.063 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N(CC(=O)[O-])c1ccccc1 ZINC000063142548 295504365 /nfs/dbraw/zinc/50/43/65/295504365.db2.gz XTLDCHQSMFMOJX-UHFFFAOYSA-N -1 0 321.376 -0.048 20 0 DBADRM C[C@@H]1[C@H](C)OCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000166565534 297769743 /nfs/dbraw/zinc/76/97/43/297769743.db2.gz DBEPFHZPKXHNFO-SFYZADRCSA-N -1 0 304.306 -0.139 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000262907996 298205701 /nfs/dbraw/zinc/20/57/01/298205701.db2.gz RLJQMUQQFMWISY-MRVPVSSYSA-N -1 0 313.335 -0.585 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)CCN1S(C)(=O)=O ZINC000263565343 300170942 /nfs/dbraw/zinc/17/09/42/300170942.db2.gz VPKDHFCLBVDFGW-LPEHRKFASA-N -1 0 318.395 -0.165 20 0 DBADRM C[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1N1CCOCC1 ZINC000333114127 300205569 /nfs/dbraw/zinc/20/55/69/300205569.db2.gz FZJHYARPVVBGLK-CMPLNLGQSA-N -1 0 322.365 -0.721 20 0 DBADRM C[C@](O)(CNC(=O)CN1C(=O)COc2ccccc21)C(=O)[O-] ZINC000262385845 300737571 /nfs/dbraw/zinc/73/75/71/300737571.db2.gz LICFIMLYTOJVRH-AWEZNQCLSA-N -1 0 308.290 -0.636 20 0 DBADRM Cc1cc(C(=O)N2CCNC(=O)[C@@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266138363 301100483 /nfs/dbraw/zinc/10/04/83/301100483.db2.gz LLFFNGONHQBVDW-ZETCQYMHSA-N -1 0 317.305 -0.295 20 0 DBADRM Cc1nc(C)c(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])s1 ZINC000275129200 302578056 /nfs/dbraw/zinc/57/80/56/302578056.db2.gz VDZDNXHHIBIFCE-SSDOTTSWSA-N -1 0 321.380 -0.243 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C(=O)[O-] ZINC000020551066 302916778 /nfs/dbraw/zinc/91/67/78/302916778.db2.gz LQNQPBDQTMWECZ-UHFFFAOYSA-N -1 0 315.351 -0.391 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1Cl ZINC000368409953 303017389 /nfs/dbraw/zinc/01/73/89/303017389.db2.gz IOFRNFUEXAIWKM-SSDOTTSWSA-N -1 0 323.758 -0.062 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1Cl ZINC000274975699 303017515 /nfs/dbraw/zinc/01/75/15/303017515.db2.gz CUUPTXHDIKNQQZ-ZCFIWIBFSA-N -1 0 309.731 -0.452 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000230811809 303049976 /nfs/dbraw/zinc/04/99/76/303049976.db2.gz KPVBJZZVUHVPGW-SECBINFHSA-N -1 0 309.731 -0.405 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000230812161 303050001 /nfs/dbraw/zinc/05/00/01/303050001.db2.gz CNWMTNZIJZIENE-UHFFFAOYSA-N -1 0 323.758 -0.014 20 0 DBADRM NC(=O)CC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000352602173 303240507 /nfs/dbraw/zinc/24/05/07/303240507.db2.gz QLFOOPGNFBLRAD-MFKMUULPSA-N -1 0 319.317 -0.595 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-] ZINC000019803183 303247640 /nfs/dbraw/zinc/24/76/40/303247640.db2.gz JOAFHKYKWCELHA-JTQLQIEISA-N -1 0 300.336 -0.175 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000021815074 303247644 /nfs/dbraw/zinc/24/76/44/303247644.db2.gz CKSFSJQZWCRPEI-MRVPVSSYSA-N -1 0 304.299 -0.177 20 0 DBADRM NC(=O)COc1ccccc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262445762 303253392 /nfs/dbraw/zinc/25/33/92/303253392.db2.gz OZPQMDWINOWSFQ-SNVBAGLBSA-N -1 0 322.317 -0.134 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000370542492 303505130 /nfs/dbraw/zinc/50/51/30/303505130.db2.gz BBERVLRNHQDPML-ZETCQYMHSA-N -1 0 321.742 -0.209 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000570771823 332812938 /nfs/dbraw/zinc/81/29/38/332812938.db2.gz AUISDTGSDLSIHQ-ONGXEEELSA-N -1 0 323.367 -0.573 20 0 DBADRM CN(C[C@@H]1CCOC1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000399641590 331483857 /nfs/dbraw/zinc/48/38/57/331483857.db2.gz XSURUIFMQLDCDZ-WDEREUQCSA-N -1 0 306.384 -0.004 20 0 DBADRM Cc1ccncc1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000584175995 331854616 /nfs/dbraw/zinc/85/46/16/331854616.db2.gz SCDRTPOHDCENSV-AYLIAGHASA-N -1 0 318.376 -0.404 20 0 DBADRM CC1(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)CC1 ZINC000573254925 331955467 /nfs/dbraw/zinc/95/54/67/331955467.db2.gz CYFZPIDRKADNAB-ZJUUUORDSA-N -1 0 316.379 -0.124 20 0 DBADRM C[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C(=O)[O-] ZINC000573324790 331961843 /nfs/dbraw/zinc/96/18/43/331961843.db2.gz ZECCBKLHJYSTJU-RKDXNWHRSA-N -1 0 311.338 -0.114 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CCO1 ZINC000566177005 332020704 /nfs/dbraw/zinc/02/07/04/332020704.db2.gz OAVKUQRXJNJJNV-VIFPVBQESA-N -1 0 319.339 -0.996 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000566179226 332022327 /nfs/dbraw/zinc/02/23/27/332022327.db2.gz KFIQCBZOPLLZPS-ZETCQYMHSA-N -1 0 320.348 -0.755 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000569489610 332101736 /nfs/dbraw/zinc/10/17/36/332101736.db2.gz MQZCGKSMVNRDMB-LURJTMIESA-N -1 0 320.289 -0.258 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C(C)C)C1 ZINC000582125372 332342442 /nfs/dbraw/zinc/34/24/42/332342442.db2.gz PUNYZYQZBRTOAS-UWVGGRQHSA-N -1 0 306.384 -0.117 20 0 DBADRM CC1(C)CN(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)CCO1 ZINC000583435988 332406046 /nfs/dbraw/zinc/40/60/46/332406046.db2.gz MTJZUQUGNRYWFC-GFCCVEGCSA-N -1 0 322.383 -0.435 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCCOCC(F)(F)F ZINC000567049143 332638562 /nfs/dbraw/zinc/63/85/62/332638562.db2.gz AHJSOOGOIFMJQI-UHFFFAOYSA-N -1 0 300.233 -0.338 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)CCCC1 ZINC000569813076 332681917 /nfs/dbraw/zinc/68/19/17/332681917.db2.gz SJCFTKONRWDVRW-IUCAKERBSA-N -1 0 323.367 -0.527 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)cn1 ZINC000572637029 332709813 /nfs/dbraw/zinc/70/98/13/332709813.db2.gz LQSULYIETRYKJT-GMTAPVOTSA-N -1 0 315.351 -0.187 20 0 DBADRM CN(c1ccc(S(N)(=O)=O)cc1C(=O)[O-])C1CC(O)C1 ZINC000572606031 332714165 /nfs/dbraw/zinc/71/41/65/332714165.db2.gz BRJJOTACKMPZRA-UHFFFAOYSA-N -1 0 300.336 -0.008 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000580193618 332997374 /nfs/dbraw/zinc/99/73/74/332997374.db2.gz LHBOODCCDVYWDO-MXWKQRLJSA-N -1 0 308.338 -0.138 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000580322496 333160516 /nfs/dbraw/zinc/16/05/16/333160516.db2.gz RDPIYOOINMJJHW-SSDOTTSWSA-N -1 0 309.321 -0.557 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-] ZINC000582036633 333177433 /nfs/dbraw/zinc/17/74/33/333177433.db2.gz RXPYFPNQCWSPEI-NBBOBHDQSA-N -1 0 304.368 -0.185 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000582065840 333197423 /nfs/dbraw/zinc/19/74/23/333197423.db2.gz GNZNUWATZSSBSM-UHFFFAOYSA-N -1 0 304.299 -0.110 20 0 DBADRM CN(C)S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000567808203 333321144 /nfs/dbraw/zinc/32/11/44/333321144.db2.gz ISSXHWFLBKKESU-MNOVXSKESA-N -1 0 306.384 -0.006 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC(=O)N1 ZINC000571045708 333491166 /nfs/dbraw/zinc/49/11/66/333491166.db2.gz DKDBIVVECSCJQA-MRVPVSSYSA-N -1 0 305.290 -0.330 20 0 DBADRM COCCCOC1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000571080281 333658421 /nfs/dbraw/zinc/65/84/21/333658421.db2.gz SXTDBQCJYOARNZ-UHFFFAOYSA-N -1 0 319.339 -0.466 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000583499938 335623794 /nfs/dbraw/zinc/62/37/94/335623794.db2.gz GISGFHWWPNTMLK-ZJUUUORDSA-N -1 0 313.354 -0.850 20 0 DBADRM Cc1cc2c(cc1S(=O)(=O)NC[C@@H](O)C(=O)[O-])OCO2 ZINC000583575583 335740205 /nfs/dbraw/zinc/74/02/05/335740205.db2.gz LBUNOPJTOLTQCW-SSDOTTSWSA-N -1 0 303.292 -0.552 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)NCCNS(=O)(=O)CC)C(=O)[O-] ZINC000390194916 336934463 /nfs/dbraw/zinc/93/44/63/336934463.db2.gz UHNUGBONLSDMJH-BDAKNGLRSA-N -1 0 309.388 -0.276 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC000390183052 336934876 /nfs/dbraw/zinc/93/48/76/336934876.db2.gz CNRVZPSKNQZIHY-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000390365308 336937404 /nfs/dbraw/zinc/93/74/04/336937404.db2.gz SIHRHOKDSCRMOC-VIFPVBQESA-N -1 0 307.372 -0.522 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1ccc(N(C)C)nc1)C(=O)[O-] ZINC000582358184 336941979 /nfs/dbraw/zinc/94/19/79/336941979.db2.gz JYTDUJZTCXFSGT-JTQLQIEISA-N -1 0 317.367 -0.084 20 0 DBADRM O=C([O-])CNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000582606249 337112924 /nfs/dbraw/zinc/11/29/24/337112924.db2.gz LDQJNYRXCOKMQO-UHFFFAOYSA-N -1 0 320.349 -0.289 20 0 DBADRM O=C([O-])c1cnc(N2CCC[C@](O)(Cn3ccnn3)C2)nc1 ZINC000582967181 337223667 /nfs/dbraw/zinc/22/36/67/337223667.db2.gz BPDKNHHENJBESA-CYBMUJFWSA-N -1 0 304.310 -0.202 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)nn1 ZINC000583028751 337230835 /nfs/dbraw/zinc/23/08/35/337230835.db2.gz UHGUJQKADFOTLL-RKDXNWHRSA-N -1 0 310.310 -0.366 20 0 DBADRM O=C([O-])C(=O)N1CCN(CC(=O)NCc2ccccc2F)CC1 ZINC000396687667 337241973 /nfs/dbraw/zinc/24/19/73/337241973.db2.gz RPKZFTGBSZZFLV-UHFFFAOYSA-N -1 0 323.324 -0.329 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000583138566 337248429 /nfs/dbraw/zinc/24/84/29/337248429.db2.gz AEMIKUGDFSXWFR-JQWIXIFHSA-N -1 0 307.368 -0.224 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@H](c3nnn[n-]3)C2)O1 ZINC000583174966 337252754 /nfs/dbraw/zinc/25/27/54/337252754.db2.gz JNHZTTQWUOLVPX-LPEHRKFASA-N -1 0 309.326 -0.374 20 0 DBADRM C[C@@H](O)C[C@H](C)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000397640674 337277763 /nfs/dbraw/zinc/27/77/63/337277763.db2.gz CAAVEDLTBXBPQY-DTWKUNHWSA-N -1 0 305.356 -0.347 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)CSCC(=O)[O-])O1 ZINC000583752621 337329607 /nfs/dbraw/zinc/32/96/07/337329607.db2.gz TUNXLIWQMDAICW-DTWKUNHWSA-N -1 0 304.368 -0.444 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-]c1ccn(CCC(N)=O)n1)C1CC1 ZINC000583752893 337329678 /nfs/dbraw/zinc/32/96/78/337329678.db2.gz GZCUSAZNYQKFOG-SNVBAGLBSA-N -1 0 316.383 -0.075 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)N1CCCCCC1)C(=O)[O-] ZINC000021038805 337333505 /nfs/dbraw/zinc/33/35/05/337333505.db2.gz LDTMGWAERGDQTQ-VIFPVBQESA-N -1 0 307.372 -0.585 20 0 DBADRM C[C@H]1CCCCN1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000021813861 337338358 /nfs/dbraw/zinc/33/83/58/337338358.db2.gz AEXMQXAHAMEUCZ-IUCAKERBSA-N -1 0 307.372 -0.586 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000035085352 337339412 /nfs/dbraw/zinc/33/94/12/337339412.db2.gz RDWGIQBCJFQALE-UHFFFAOYSA-N -1 0 308.262 -0.556 20 0 DBADRM CS(=O)(=O)NCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000035207864 337340559 /nfs/dbraw/zinc/34/05/59/337340559.db2.gz WSQGMXVIYSCZCD-UHFFFAOYSA-N -1 0 322.364 -0.788 20 0 DBADRM Cc1c(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])cnn1C ZINC000583848539 337341762 /nfs/dbraw/zinc/34/17/62/337341762.db2.gz ICEQVAUXKWPYBX-VHSXEESVSA-N -1 0 317.367 -0.113 20 0 DBADRM CC[C@@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC000035410769 337343418 /nfs/dbraw/zinc/34/34/18/337343418.db2.gz NBXAJWWEUOPQSB-SECBINFHSA-N -1 0 308.356 -0.431 20 0 DBADRM COCCN(CCOC)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000035651802 337349620 /nfs/dbraw/zinc/34/96/20/337349620.db2.gz JPDIFZNENVGZMP-UHFFFAOYSA-N -1 0 321.355 -0.749 20 0 DBADRM C[C@]1(NS(=O)(=O)c2ccc(C(=O)[O-])o2)CCS(=O)(=O)C1 ZINC000037019743 337362949 /nfs/dbraw/zinc/36/29/49/337362949.db2.gz SFBPXZPCKDGESD-JTQLQIEISA-N -1 0 323.348 -0.167 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCCC(=O)[O-])C1 ZINC000037420166 337363786 /nfs/dbraw/zinc/36/37/86/337363786.db2.gz KKIRGPLWKHRDIX-VIFPVBQESA-N -1 0 308.356 -0.429 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000571896225 337581278 /nfs/dbraw/zinc/58/12/78/337581278.db2.gz ZJJBYQGIVPCVBM-NXEZZACHSA-N -1 0 317.367 -0.425 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000571921272 337581923 /nfs/dbraw/zinc/58/19/23/337581923.db2.gz JMXQKCMGSBIUOV-KCJUWKMLSA-N -1 0 308.338 -0.096 20 0 DBADRM CN(CCn1cccn1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000572153256 337593975 /nfs/dbraw/zinc/59/39/75/337593975.db2.gz LQUSORIMHIJEAA-NSHDSACASA-N -1 0 316.383 -0.144 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cn1C ZINC000572154508 337593985 /nfs/dbraw/zinc/59/39/85/337593985.db2.gz YNEWTYNSMUZFEN-OCAPTIKFSA-N -1 0 315.351 -0.474 20 0 DBADRM COCCc1nc(=N[C@H]2CCN(S(C)(=O)=O)C2)s[n-]1 ZINC000572248808 337598693 /nfs/dbraw/zinc/59/86/93/337598693.db2.gz RLLYQMYGZGPAHD-QMMMGPOBSA-N -1 0 306.413 -0.405 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC000572297594 337605331 /nfs/dbraw/zinc/60/53/31/337605331.db2.gz GCVWTQMZBYTLBA-JQWIXIFHSA-N -1 0 322.383 -0.768 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000572388714 337626508 /nfs/dbraw/zinc/62/65/08/337626508.db2.gz OMVHOHGCBGKWAT-UHFFFAOYSA-N -1 0 307.306 -0.289 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-])cn1 ZINC000572400045 337632080 /nfs/dbraw/zinc/63/20/80/337632080.db2.gz MVBMSZIRMFDYBJ-RKDXNWHRSA-N -1 0 305.356 -0.083 20 0 DBADRM CC1(C(N)=O)CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000580450995 337677186 /nfs/dbraw/zinc/67/71/86/337677186.db2.gz UVFVYUNZGMMOOA-UHFFFAOYSA-N -1 0 303.278 -0.617 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)OC ZINC000566242654 341551721 /nfs/dbraw/zinc/55/17/21/341551721.db2.gz OWCDKHQDUQWKFN-GARJFASQSA-N -1 0 316.354 -0.667 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC000566299916 341553316 /nfs/dbraw/zinc/55/33/16/341553316.db2.gz CKTJVPBALUPURM-VIFPVBQESA-N -1 0 304.368 -0.361 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC000566286263 341553095 /nfs/dbraw/zinc/55/30/95/341553095.db2.gz JJCWEHJGXXLSSU-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM O=C([O-])C[C@H]1CN(c2ccnc(N3CCOCC3)n2)CCO1 ZINC000566297799 341553214 /nfs/dbraw/zinc/55/32/14/341553214.db2.gz RCIOJMRJIYYTCR-NSHDSACASA-N -1 0 308.338 -0.007 20 0 DBADRM CCS(=O)(=O)NCCS(=O)(=O)NC(C)(C)CC(=O)[O-] ZINC000567209449 341587262 /nfs/dbraw/zinc/58/72/62/341587262.db2.gz GKRRUDMLKLOSKD-UHFFFAOYSA-N -1 0 316.401 -0.902 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c(C)o1 ZINC000567367845 341599204 /nfs/dbraw/zinc/59/92/04/341599204.db2.gz BBHOYHYBVPQLEW-ZCFIWIBFSA-N -1 0 307.280 -0.902 20 0 DBADRM CNC(=O)c1ccc(CS(=O)(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000567393592 341600890 /nfs/dbraw/zinc/60/08/90/341600890.db2.gz LZPCJJRYMHPTRL-QMMMGPOBSA-N -1 0 300.336 -0.061 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC000567726700 341630140 /nfs/dbraw/zinc/63/01/40/341630140.db2.gz RZUQOOQSFFCFBH-LLVKDONJSA-N -1 0 303.340 -0.185 20 0 DBADRM C[C@H](NS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000567799616 341634136 /nfs/dbraw/zinc/63/41/36/341634136.db2.gz WVCQQSLMGVBOQS-QMMMGPOBSA-N -1 0 321.376 -0.017 20 0 DBADRM C[C@H]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)C[C@@H]1C(=O)[O-] ZINC000567866308 341637790 /nfs/dbraw/zinc/63/77/90/341637790.db2.gz SNQOQXMFNXUWMP-YUMQZZPRSA-N -1 0 321.337 -0.080 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000567880777 341638453 /nfs/dbraw/zinc/63/84/53/341638453.db2.gz NASBAIXUDQJAPO-UHFFFAOYSA-N -1 0 323.353 -0.502 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCc2cnccn2)C[C@@H]1C(=O)[O-] ZINC000567886775 341638594 /nfs/dbraw/zinc/63/85/94/341638594.db2.gz WJVXGVISBCBZFN-PWSUYJOCSA-N -1 0 320.349 -0.296 20 0 DBADRM CCn1ncnc1CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000567887863 341638719 /nfs/dbraw/zinc/63/87/19/341638719.db2.gz TWBYIMDYFDCLKM-UWVGGRQHSA-N -1 0 323.353 -0.517 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N[C@H]1C[C@H]2CCCCN2C1=O ZINC000567888107 341638807 /nfs/dbraw/zinc/63/88/07/341638807.db2.gz YSQZMRPOHIRPRC-ZJUUUORDSA-N -1 0 311.338 -0.763 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-] ZINC000569203504 341693952 /nfs/dbraw/zinc/69/39/52/341693952.db2.gz PWUWTCVDOCUCQT-DTWKUNHWSA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N2CC[C@H](C)C2)C1 ZINC000572952720 341710982 /nfs/dbraw/zinc/71/09/82/341710982.db2.gz GCJHYZKQKCQWGI-CMPLNLGQSA-N -1 0 306.384 -0.004 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000573119779 341717670 /nfs/dbraw/zinc/71/76/70/341717670.db2.gz NXGWWYMQDCFTQU-NXEZZACHSA-N -1 0 322.383 -0.879 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC000573339980 341725623 /nfs/dbraw/zinc/72/56/23/341725623.db2.gz AUPRKJQHTBHKSF-UWVGGRQHSA-N -1 0 322.383 -0.642 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000573903158 341742790 /nfs/dbraw/zinc/74/27/90/341742790.db2.gz LTKYVRCPUYFARP-DTWKUNHWSA-N -1 0 308.356 -0.431 20 0 DBADRM CN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1ccccc1F ZINC000574040706 341746672 /nfs/dbraw/zinc/74/66/72/341746672.db2.gz WFOWCXYKNHUEIO-UHFFFAOYSA-N -1 0 304.299 -0.353 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC000574850780 341770930 /nfs/dbraw/zinc/77/09/30/341770930.db2.gz QHIKRGNQUGXZLY-WPRPVWTQSA-N -1 0 311.381 -0.843 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)CCS1(=O)=O ZINC000576028378 341821145 /nfs/dbraw/zinc/82/11/45/341821145.db2.gz SDLADJXNDACBHV-NSHDSACASA-N -1 0 323.330 -0.113 20 0 DBADRM CC(C)(C)n1ncc2c1ncn(CC(=O)NCC(=O)[O-])c2=O ZINC000576160676 341830343 /nfs/dbraw/zinc/83/03/43/341830343.db2.gz UCHDPGKKMBXHMK-UHFFFAOYSA-N -1 0 307.310 -0.451 20 0 DBADRM CN(CC(F)(F)F)C(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000576164320 341830559 /nfs/dbraw/zinc/83/05/59/341830559.db2.gz UHPCVOUDYOREBC-UHFFFAOYSA-N -1 0 311.260 -0.764 20 0 DBADRM COCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000576206504 341833156 /nfs/dbraw/zinc/83/31/56/341833156.db2.gz CRDBNMSQWRTSKB-UHFFFAOYSA-N -1 0 322.383 -0.623 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC(C(C)(C)O)C2)C[C@@H]1C(=O)[O-] ZINC000576346300 341841682 /nfs/dbraw/zinc/84/16/82/341841682.db2.gz IOJJBRWQNWFWNQ-KOLCDFICSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000576696123 341858770 /nfs/dbraw/zinc/85/87/70/341858770.db2.gz DBLCBCLWNIVPOI-VIFPVBQESA-N -1 0 306.384 -0.127 20 0 DBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000576696118 341858822 /nfs/dbraw/zinc/85/88/22/341858822.db2.gz DBLCBCLWNIVPOI-SECBINFHSA-N -1 0 306.384 -0.127 20 0 DBADRM Nc1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1 ZINC000576773923 341862765 /nfs/dbraw/zinc/86/27/65/341862765.db2.gz KYIJKCRTXFORJK-UHFFFAOYSA-N -1 0 311.323 -0.463 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CCO)C[C@H]1C(=O)[O-] ZINC000576876246 341867497 /nfs/dbraw/zinc/86/74/97/341867497.db2.gz RIRXXTPVNGVTLA-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CCO)C[C@@H]1C(=O)[O-] ZINC000576876248 341867582 /nfs/dbraw/zinc/86/75/82/341867582.db2.gz RIRXXTPVNGVTLA-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCCC(=O)[O-])C1 ZINC000580559374 341876752 /nfs/dbraw/zinc/87/67/52/341876752.db2.gz CZTYXRMBSGYEJF-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(N(C)C)nc1 ZINC000580631979 341889348 /nfs/dbraw/zinc/88/93/48/341889348.db2.gz XQXRZQSDDLIBKF-UHFFFAOYSA-N -1 0 317.367 -0.131 20 0 DBADRM O=C([O-])CC1(C(=O)NCCNC(=O)c2cnccn2)CCC1 ZINC000580650366 341892165 /nfs/dbraw/zinc/89/21/65/341892165.db2.gz WZNLQLOKOCWZSM-UHFFFAOYSA-N -1 0 306.322 -0.032 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)[C@H]2CCO[C@@H]2C)C(=O)[O-])c1 ZINC000577181106 341895045 /nfs/dbraw/zinc/89/50/45/341895045.db2.gz MGBWLHPGYCOLDG-VWYCJHECSA-N -1 0 317.367 -0.258 20 0 DBADRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000577378805 341906863 /nfs/dbraw/zinc/90/68/63/341906863.db2.gz FRKOVHAUGGMBCX-NKWVEPMBSA-N -1 0 324.346 -0.110 20 0 DBADRM O=C([O-])CN(C(=O)CCN1C(=O)CCC1=O)C1CCOCC1 ZINC000577396425 341908007 /nfs/dbraw/zinc/90/80/07/341908007.db2.gz SCWQEWZJPZDINN-UHFFFAOYSA-N -1 0 312.322 -0.382 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC000577570441 341918665 /nfs/dbraw/zinc/91/86/65/341918665.db2.gz GXLYEKYHEKXBSO-MRVPVSSYSA-N -1 0 303.344 -0.848 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000577732233 341932651 /nfs/dbraw/zinc/93/26/51/341932651.db2.gz YSHNHIVRFSBBMQ-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)C1 ZINC000577857007 341943721 /nfs/dbraw/zinc/94/37/21/341943721.db2.gz XFRPJBNYGLABJH-MOLYVOAJSA-N -1 0 324.377 -0.215 20 0 DBADRM NS(=O)(=O)CCCS(=O)(=O)[N-]CC(F)(F)C(F)F ZINC000349459638 341975921 /nfs/dbraw/zinc/97/59/21/341975921.db2.gz VGWWYEKXRIGBGR-UHFFFAOYSA-N -1 0 316.298 -0.515 20 0 DBADRM NS(=O)(=O)CCCS(=O)(=O)[N-]c1noc(C2CC2)n1 ZINC000349459571 341976047 /nfs/dbraw/zinc/97/60/47/341976047.db2.gz UZRNCGWTAIIVGI-UHFFFAOYSA-N -1 0 310.357 -0.633 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000491272835 534071797 /nfs/dbraw/zinc/07/17/97/534071797.db2.gz HBJNICLHQMQRPI-SECBINFHSA-N -1 0 308.356 -0.252 20 0 DBADRM NC(=O)CCn1ccc(=NC(=O)N=c2ccc(C3CC3)n[n-]2)[nH]1 ZINC000446339292 534322324 /nfs/dbraw/zinc/32/23/24/534322324.db2.gz CEBQBXTUUAAHLI-UHFFFAOYSA-N -1 0 315.337 -0.086 20 0 DBADRM NC(=O)CS(=O)(=O)c1nnc(-c2ccc3c(c2)OCCO3)[n-]1 ZINC000447478518 534343516 /nfs/dbraw/zinc/34/35/16/534343516.db2.gz LZAYRIKBIYPMJY-UHFFFAOYSA-N -1 0 324.318 -0.498 20 0 DBADRM O=C(CCCNC(=O)c1cccnc1)NCCc1nc(=O)o[n-]1 ZINC000447637524 534354714 /nfs/dbraw/zinc/35/47/14/534354714.db2.gz UHIDUXGFDOAWHZ-UHFFFAOYSA-N -1 0 319.321 -0.373 20 0 DBADRM CC(C)C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000360834623 519385648 /nfs/dbraw/zinc/38/56/48/519385648.db2.gz RGFQKZMPOQJBCM-JTQLQIEISA-N -1 0 321.337 -0.255 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[C@@H](C)C(=O)[O-] ZINC000378581125 534425677 /nfs/dbraw/zinc/42/56/77/534425677.db2.gz KGFHMNQNWOTIME-TVYUQYBPSA-N -1 0 322.365 -0.039 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[C@H](C)C(=O)[O-] ZINC000378581123 534425745 /nfs/dbraw/zinc/42/57/45/534425745.db2.gz KGFHMNQNWOTIME-JIMOISOXSA-N -1 0 322.365 -0.039 20 0 DBADRM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000366320971 519524513 /nfs/dbraw/zinc/52/45/13/519524513.db2.gz VRVQYGMJHBANGJ-QWRGUYRKSA-N -1 0 322.383 -0.858 20 0 DBADRM CC(C)N(CCC(=O)[O-])C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000268899964 519641998 /nfs/dbraw/zinc/64/19/98/519641998.db2.gz SIAXELDYWOTIFB-AATRIKPKSA-N -1 0 323.349 -0.191 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000262371591 519651624 /nfs/dbraw/zinc/65/16/24/519651624.db2.gz AWGZHVLWBBBPQY-UHFFFAOYSA-N -1 0 321.333 -0.704 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000262659278 519652166 /nfs/dbraw/zinc/65/21/66/519652166.db2.gz UAQSOVABLVCSNF-UHFFFAOYSA-N -1 0 307.306 -0.747 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000262514519 519652690 /nfs/dbraw/zinc/65/26/90/519652690.db2.gz PMPNVTNJEUMSPO-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)C[C@H]1CCCO1 ZINC000262428369 519663117 /nfs/dbraw/zinc/66/31/17/519663117.db2.gz OCAVPBWIJOBNRH-GXSJLCMTSA-N -1 0 322.383 -0.594 20 0 DBADRM CC(C)NS(=O)(=O)NCCNc1cnc(C(=O)[O-])cn1 ZINC000263414875 519732126 /nfs/dbraw/zinc/73/21/26/519732126.db2.gz NNKKHUMYAQXKLX-UHFFFAOYSA-N -1 0 303.344 -0.581 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000263340634 519732262 /nfs/dbraw/zinc/73/22/62/519732262.db2.gz FGHPIKOTYRHAIT-VIFPVBQESA-N -1 0 324.403 -0.819 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC[C@H](C)C(=O)[O-] ZINC000262540528 519769438 /nfs/dbraw/zinc/76/94/38/519769438.db2.gz RGWKXCDJHBSJKP-VIFPVBQESA-N -1 0 310.372 -0.832 20 0 DBADRM CCCC(=O)N1CCC[C@@H]1C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262698285 519867140 /nfs/dbraw/zinc/86/71/40/519867140.db2.gz FOYOZBNDUKMLIR-LLVKDONJSA-N -1 0 323.353 -0.230 20 0 DBADRM CCOCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267286913 519970485 /nfs/dbraw/zinc/97/04/85/519970485.db2.gz QIEIUWYDHUQVHE-UHFFFAOYSA-N -1 0 314.323 -0.249 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000262087831 520050505 /nfs/dbraw/zinc/05/05/05/520050505.db2.gz GHRDCDJXROTIKA-VIFPVBQESA-N -1 0 308.356 -0.982 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1 ZINC000338221577 520052446 /nfs/dbraw/zinc/05/24/46/520052446.db2.gz MAGDJGMEDFZXDH-UHFFFAOYSA-N -1 0 312.355 -0.053 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)[N-]OCc1cccnc1 ZINC000269597128 520054271 /nfs/dbraw/zinc/05/42/71/520054271.db2.gz LLLZCQBBOXVXBM-UHFFFAOYSA-N -1 0 317.367 -0.415 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCCn1c(=O)[nH]c2ccccc21 ZINC000420549810 534491612 /nfs/dbraw/zinc/49/16/12/534491612.db2.gz DEGYUMRRAWLEHQ-UHFFFAOYSA-N -1 0 320.305 -0.551 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(-n2ccnn2)cc1 ZINC000447637277 534500943 /nfs/dbraw/zinc/50/09/43/534500943.db2.gz RRHSFJJMAJMGEP-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM CC1(C)C[C@H]1CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000332120870 520565020 /nfs/dbraw/zinc/56/50/20/520565020.db2.gz HMRIDYIEQRASIS-IUCAKERBSA-N -1 0 304.368 -0.074 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cn(-c2ccccc2)nn1 ZINC000447635454 534502051 /nfs/dbraw/zinc/50/20/51/534502051.db2.gz APOBGUQCEOOOOI-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NC2(c3nnn[n-]3)CCCC2)C1=O ZINC000346326317 520598446 /nfs/dbraw/zinc/59/84/46/520598446.db2.gz KOVMHCPIRPRYII-UHFFFAOYSA-N -1 0 321.341 -0.584 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000507399936 534525146 /nfs/dbraw/zinc/52/51/46/534525146.db2.gz FPFNWIHJPQWQPH-GHMZBOCLSA-N -1 0 323.349 -0.953 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](C)CC(=O)[O-] ZINC000037465480 521310579 /nfs/dbraw/zinc/31/05/79/521310579.db2.gz NOGAUBZYBPZROL-DTWKUNHWSA-N -1 0 308.356 -0.289 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](CC)C(=O)[O-] ZINC000270517840 521568338 /nfs/dbraw/zinc/56/83/38/521568338.db2.gz QUYVCMGZXMTDDA-SSDOTTSWSA-N -1 0 305.312 -0.272 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N=c1nc(COC)[n-]s1 ZINC000344046233 521655533 /nfs/dbraw/zinc/65/55/33/521655533.db2.gz GWLWAUZUTGARTA-UHFFFAOYSA-N -1 0 308.385 -0.674 20 0 DBADRM CCS(=O)(=O)NCCSc1n[n-]c2nc(=O)c(C)nn12 ZINC000359320104 521682201 /nfs/dbraw/zinc/68/22/01/521682201.db2.gz WCJAAYHAHYWHSM-UHFFFAOYSA-N -1 0 318.384 -0.848 20 0 DBADRM COCC[C@@H](CO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000343949750 521808006 /nfs/dbraw/zinc/80/80/06/521808006.db2.gz PIPDARHBXBRWPR-QMMMGPOBSA-N -1 0 308.294 -0.437 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cnc1C ZINC000263558945 521912313 /nfs/dbraw/zinc/91/23/13/521912313.db2.gz QADKCSKRUIDPKO-ZETCQYMHSA-N -1 0 302.308 -0.072 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)cc1 ZINC000037414768 522155113 /nfs/dbraw/zinc/15/51/13/522155113.db2.gz BMUAMDCBIQAQLL-XVKPBYJWSA-N -1 0 317.319 -0.415 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H]2COCCO2)ccc1[O-] ZINC000331195406 522272002 /nfs/dbraw/zinc/27/20/02/522272002.db2.gz TYEKICGSFXJSHF-JTQLQIEISA-N -1 0 316.335 -0.346 20 0 DBADRM CC[C@@H](CCO)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000129323386 522504946 /nfs/dbraw/zinc/50/49/46/522504946.db2.gz YPHWHIONIBRITC-QMMMGPOBSA-N -1 0 306.322 -0.250 20 0 DBADRM COc1cc(F)c(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1OC ZINC000090262639 522581334 /nfs/dbraw/zinc/58/13/34/522581334.db2.gz CFDLBNKSJGMGPI-ZETCQYMHSA-N -1 0 323.298 -0.433 20 0 DBADRM COC1(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1 ZINC000180632578 522625754 /nfs/dbraw/zinc/62/57/54/522625754.db2.gz UDQYVURQQRPGFM-UHFFFAOYSA-N -1 0 304.306 -0.090 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000375696120 523061615 /nfs/dbraw/zinc/06/16/15/523061615.db2.gz GRZQSXWRAZICLC-DTWKUNHWSA-N -1 0 308.356 -0.479 20 0 DBADRM COCc1nc(=NC(=O)CN2CCCS2(=O)=O)s[n-]1 ZINC000344046365 523167214 /nfs/dbraw/zinc/16/72/14/523167214.db2.gz HKNZQXXNLMPIBQ-UHFFFAOYSA-N -1 0 306.369 -0.920 20 0 DBADRM COC(=O)Cn1ccc(=NC(=O)N=c2ccc(OC)n[n-]2)[nH]1 ZINC000346660794 523404921 /nfs/dbraw/zinc/40/49/21/523404921.db2.gz SWFHDMBGJYGDTO-UHFFFAOYSA-N -1 0 306.282 -0.658 20 0 DBADRM COc1ccc(=NC(=O)C(=O)N2CCC[C@H](CO)CC2)[n-]n1 ZINC000344140441 523474895 /nfs/dbraw/zinc/47/48/95/523474895.db2.gz FIEMDKZJISVJHL-JTQLQIEISA-N -1 0 308.338 -0.533 20 0 DBADRM COCCN(C(=O)c1cnc([O-])n(C)c1=O)[C@H]1CCO[C@@H]1C ZINC000331219960 523558588 /nfs/dbraw/zinc/55/85/88/523558588.db2.gz XZPPYKIEWQJBQA-KOLCDFICSA-N -1 0 311.338 -0.248 20 0 DBADRM COC(=O)[C@@H](CO)NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339879520 523591174 /nfs/dbraw/zinc/59/11/74/523591174.db2.gz NEBNFACXHINSJV-SNVBAGLBSA-N -1 0 323.280 -0.019 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccnn1C)c1ccn(C)n1 ZINC000345639821 523637101 /nfs/dbraw/zinc/63/71/01/523637101.db2.gz MAXDNRLQDVLTBA-JTQLQIEISA-N -1 0 313.339 -0.654 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)OC)o1 ZINC000270533071 523666908 /nfs/dbraw/zinc/66/69/08/523666908.db2.gz VNEMQINALYVHDC-UHFFFAOYSA-N -1 0 321.307 -0.212 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339879497 523907657 /nfs/dbraw/zinc/90/76/57/523907657.db2.gz NEBNFACXHINSJV-JTQLQIEISA-N -1 0 323.280 -0.019 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)c1ccnn1C)c1ccn(C)n1 ZINC000345639823 523929956 /nfs/dbraw/zinc/92/99/56/523929956.db2.gz MAXDNRLQDVLTBA-SNVBAGLBSA-N -1 0 313.339 -0.654 20 0 DBADRM COC(=O)[C@H](O)CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000345310885 523935680 /nfs/dbraw/zinc/93/56/80/523935680.db2.gz XJNMSXYEOCJDAO-SECBINFHSA-N -1 0 307.262 -0.706 20 0 DBADRM COCCOCCS(=O)(=O)[N-]c1ccn(CCOC)n1 ZINC000339072390 524014580 /nfs/dbraw/zinc/01/45/80/524014580.db2.gz PPWUZDMGOOCVKW-UHFFFAOYSA-N -1 0 307.372 -0.066 20 0 DBADRM CN(C)C(=O)[C@H]1CSCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000267614054 524017708 /nfs/dbraw/zinc/01/77/08/524017708.db2.gz PLKRCCBKBZTWND-MRVPVSSYSA-N -1 0 312.351 -0.911 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000347608000 524070385 /nfs/dbraw/zinc/07/03/85/524070385.db2.gz ZBLPVQCMMVBQFM-UHFFFAOYSA-N -1 0 313.383 -0.600 20 0 DBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2cn(C)c(C)n2)cn1 ZINC000339756884 524076462 /nfs/dbraw/zinc/07/64/62/524076462.db2.gz PLHGMUGYOAFCSH-UHFFFAOYSA-N -1 0 312.355 -0.528 20 0 DBADRM Cc1cc(C(=O)N[C@@H](C(N)=O)C(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266123705 524115855 /nfs/dbraw/zinc/11/58/55/524115855.db2.gz NBOVZGISQMPGAY-SECBINFHSA-N -1 0 319.321 -0.016 20 0 DBADRM Cc1cc(C)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])s1 ZINC000292350276 524320337 /nfs/dbraw/zinc/32/03/37/524320337.db2.gz PUXFAISUYUXKOF-UHFFFAOYSA-N -1 0 306.365 -0.156 20 0 DBADRM COc1ccnc(N2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)n1 ZINC000262241374 524842971 /nfs/dbraw/zinc/84/29/71/524842971.db2.gz AFQRTQBTJWGFOG-UHFFFAOYSA-N -1 0 306.322 -0.001 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC2(O)CCC2)C1 ZINC000331926600 524872566 /nfs/dbraw/zinc/87/25/66/524872566.db2.gz VPZBPYKFMZAPNL-QWRGUYRKSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCn3ccnc3C2)C1 ZINC000332639442 524872918 /nfs/dbraw/zinc/87/29/18/524872918.db2.gz RFSHLUXGLFIWDX-QWRGUYRKSA-N -1 0 320.349 -0.206 20 0 DBADRM C[C@H](NC(=O)CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)C(=O)N(C)C ZINC000344132573 524952471 /nfs/dbraw/zinc/95/24/71/524952471.db2.gz YWHATRVTBUAXDT-UWVGGRQHSA-N -1 0 324.385 -0.717 20 0 DBADRM COc1ncnc(OC)c1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262742006 525083259 /nfs/dbraw/zinc/08/32/59/525083259.db2.gz GXSPZMNLQMBBFM-QMMMGPOBSA-N -1 0 311.294 -0.191 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CC(=O)[O-] ZINC000262378181 525096842 /nfs/dbraw/zinc/09/68/42/525096842.db2.gz CBWJFGKOBLDLJG-UHFFFAOYSA-N -1 0 302.308 -0.501 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000063142274 525127827 /nfs/dbraw/zinc/12/78/27/525127827.db2.gz BPYOHMYIWLBQBA-SNVBAGLBSA-N -1 0 321.376 -0.224 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)C1 ZINC000262300506 525170506 /nfs/dbraw/zinc/17/05/06/525170506.db2.gz NOHRFYKWBFLRNR-LPEHRKFASA-N -1 0 320.367 -0.841 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)NCC(N)=O ZINC000344253760 525219221 /nfs/dbraw/zinc/21/92/21/525219221.db2.gz IMKBMEAABDGBKM-UHFFFAOYSA-N -1 0 305.743 -0.073 20 0 DBADRM C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C(=O)NCc1ccco1 ZINC000267691705 525261281 /nfs/dbraw/zinc/26/12/81/525261281.db2.gz OLVDCFKQEBZGQZ-QMMMGPOBSA-N -1 0 320.305 -0.486 20 0 DBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C(=O)NCc1ccco1 ZINC000267691702 525371148 /nfs/dbraw/zinc/37/11/48/525371148.db2.gz OLVDCFKQEBZGQZ-MRVPVSSYSA-N -1 0 320.305 -0.486 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000262934172 525581623 /nfs/dbraw/zinc/58/16/23/525581623.db2.gz YEIBTBBSAUHCNJ-HTQZYQBOSA-N -1 0 318.355 -0.982 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)NC2(c3nnn[n-]3)CC2)c(=O)c1 ZINC000344469272 525603435 /nfs/dbraw/zinc/60/34/35/525603435.db2.gz UUMGELFYNKKBDZ-CYBMUJFWSA-N -1 0 318.337 -0.774 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)NC2(c3nnn[n-]3)CC2)c(=O)c1 ZINC000344469273 525603820 /nfs/dbraw/zinc/60/38/20/525603820.db2.gz UUMGELFYNKKBDZ-ZDUSSCGKSA-N -1 0 318.337 -0.774 20 0 DBADRM Cc1cnn(Cc2cc(C(=O)NCc3n[nH]c(=O)[n-]3)no2)c1 ZINC000339382037 526265410 /nfs/dbraw/zinc/26/54/10/526265410.db2.gz QJXNMZPAMPEECU-UHFFFAOYSA-N -1 0 303.282 -0.018 20 0 DBADRM O=C(NCCCn1ccnn1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000345548385 526292076 /nfs/dbraw/zinc/29/20/76/526292076.db2.gz VAXIRHGCAXAOOA-UHFFFAOYSA-N -1 0 315.293 -0.152 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CNC(=O)Cc2cccc(F)c2)CCO1 ZINC000262911826 526330531 /nfs/dbraw/zinc/33/05/31/526330531.db2.gz CUIKRFSOYRFNCF-GFCCVEGCSA-N -1 0 324.308 -0.204 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CNC(=O)NCc2ccco2)CCO1 ZINC000263047181 526330840 /nfs/dbraw/zinc/33/08/40/526330840.db2.gz WMOVKDZLFWNFDJ-SNVBAGLBSA-N -1 0 311.294 -0.609 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCC[C@H]2CCOC2)CCS1(=O)=O ZINC000333603384 526331950 /nfs/dbraw/zinc/33/19/50/526331950.db2.gz QTZMRNGRSRUVTF-VHSXEESVSA-N -1 0 320.367 -0.694 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)COC1CCCC1 ZINC000333635902 526335155 /nfs/dbraw/zinc/33/51/55/526335155.db2.gz WNCZGYBWZQBVJF-SECBINFHSA-N -1 0 310.310 -0.262 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2cnc3sccn3c2=O)CCOC1 ZINC000085850083 526339120 /nfs/dbraw/zinc/33/91/20/526339120.db2.gz PQIOTBUMUYMYPN-LBPRGKRZSA-N -1 0 309.303 -0.271 20 0 DBADRM Cc1csc2ncc(C(=O)N3CCO[C@H](C(=O)[O-])C3)c(=O)n12 ZINC000262728278 526457185 /nfs/dbraw/zinc/45/71/85/526457185.db2.gz CIZFOVNRWSVBDI-VIFPVBQESA-N -1 0 323.330 -0.010 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)NC1CC1)C(=O)[O-] ZINC000497300930 526479277 /nfs/dbraw/zinc/47/92/77/526479277.db2.gz OHAMDHLRJOUOHY-QMMMGPOBSA-N -1 0 323.371 -0.449 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccn(CC(=O)N(C)C)n1 ZINC000347438513 526559117 /nfs/dbraw/zinc/55/91/17/526559117.db2.gz YIFAEQUQTXNWGE-UHFFFAOYSA-N -1 0 312.355 -0.196 20 0 DBADRM Cc1nscc1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000333648855 526718875 /nfs/dbraw/zinc/71/88/75/526718875.db2.gz YQDPIJOSPJVEFX-MRVPVSSYSA-N -1 0 304.349 -0.225 20 0 DBADRM NC(=O)COc1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000261621203 526891472 /nfs/dbraw/zinc/89/14/72/526891472.db2.gz AVHZGOVCTFARJV-LLVKDONJSA-N -1 0 322.317 -0.134 20 0 DBADRM Cn1c(=O)cccc1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000262429019 527030521 /nfs/dbraw/zinc/03/05/21/527030521.db2.gz RJVZTZVNIZIICT-ZUZCIYMTSA-N -1 0 306.318 -0.051 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000343354770 527049781 /nfs/dbraw/zinc/04/97/81/527049781.db2.gz NXJJVZVEHMNYQS-SECBINFHSA-N -1 0 313.383 -0.418 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)cc1C(=O)[O-] ZINC000020551105 527284239 /nfs/dbraw/zinc/28/42/39/527284239.db2.gz QFWCVJKZUXPERI-QMMMGPOBSA-N -1 0 315.351 -0.391 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000333067622 527446037 /nfs/dbraw/zinc/44/60/37/527446037.db2.gz ODLZGEYMABMRCB-UHFFFAOYSA-N -1 0 318.337 -0.818 20 0 DBADRM O=C([O-])CCc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000021519585 527601420 /nfs/dbraw/zinc/60/14/20/527601420.db2.gz ZXDKAOXYTZMGKZ-UHFFFAOYSA-N -1 0 312.347 -0.176 20 0 DBADRM COC1(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)CCOCC1 ZINC000408126199 536534974 /nfs/dbraw/zinc/53/49/74/536534974.db2.gz KXHKWSHWDYTAHV-JTQLQIEISA-N -1 0 307.368 -0.193 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000424512266 528318444 /nfs/dbraw/zinc/31/84/44/528318444.db2.gz ZWBLVFJZRPUPDM-UWVGGRQHSA-N -1 0 315.370 -0.558 20 0 DBADRM CC(C)C[C@H]1C[C@@H](C(=O)NCCc2nc(=O)o[n-]2)CC(=O)N1 ZINC000447638041 528601725 /nfs/dbraw/zinc/60/17/25/528601725.db2.gz VDOQTFFLWUOZLL-ZJUUUORDSA-N -1 0 310.354 -0.038 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1CC[C@@](F)(CO)C1)C(=O)[O-] ZINC000424496075 528658335 /nfs/dbraw/zinc/65/83/35/528658335.db2.gz SDZFAJQTBIOLJA-AWEZNQCLSA-N -1 0 318.345 -0.074 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)CC1=O ZINC000408505146 534962405 /nfs/dbraw/zinc/96/24/05/534962405.db2.gz WGDGFYFIALBZRP-UWVGGRQHSA-N -1 0 304.368 -0.520 20 0 DBADRM CC(C)N1C(=O)CN(C(=O)c2cnc([O-])n(C)c2=O)CC1(C)C ZINC000408402989 535127085 /nfs/dbraw/zinc/12/70/85/535127085.db2.gz KFZNBPXFLYLECK-UHFFFAOYSA-N -1 0 322.365 -0.043 20 0 DBADRM CC(C)c1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)on1 ZINC000282397054 535362111 /nfs/dbraw/zinc/36/21/11/535362111.db2.gz ZUKHQWYDRIRTMV-UHFFFAOYSA-N -1 0 303.340 -0.006 20 0 DBADRM CCOc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cn1 ZINC000275082391 535391318 /nfs/dbraw/zinc/39/13/18/535391318.db2.gz IXDPHSIWHOCDMP-SNVBAGLBSA-N -1 0 316.335 -0.046 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000275318720 535782622 /nfs/dbraw/zinc/78/26/22/535782622.db2.gz OZVCMZGKHVRNRD-SECBINFHSA-N -1 0 303.340 -0.060 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(CC)c1)C(N)=O ZINC000357701076 535806931 /nfs/dbraw/zinc/80/69/31/535806931.db2.gz OWPMIDKHPQEIDA-MRVPVSSYSA-N -1 0 303.340 -0.252 20 0 DBADRM CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)N(C)CCC(=O)OC)C1 ZINC000370430943 535884767 /nfs/dbraw/zinc/88/47/67/535884767.db2.gz PTINULAHELVHTP-LBPRGKRZSA-N -1 0 322.383 -0.087 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cn(C)nc2C)C1=O ZINC000289301986 536073631 /nfs/dbraw/zinc/07/36/31/536073631.db2.gz ZQFBYWSAIHIVSM-LLVKDONJSA-N -1 0 315.355 -0.358 20 0 DBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)CCC(F)(F)F)C(=O)OC ZINC000340862687 536312592 /nfs/dbraw/zinc/31/25/92/536312592.db2.gz OXYHTHXNZRWIKH-ZCFIWIBFSA-N -1 0 321.273 -0.037 20 0 DBADRM COc1ccc(=NC(=O)C(=O)N=c2cc(CC(C)C)[nH][nH]2)[n-]n1 ZINC000342250037 536615949 /nfs/dbraw/zinc/61/59/49/536615949.db2.gz JXDDDPUFDWUBBF-UHFFFAOYSA-N -1 0 318.337 -0.172 20 0 DBADRM COc1ccccc1C(=O)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000371887530 536984939 /nfs/dbraw/zinc/98/49/39/536984939.db2.gz HDBKJRGCXQMQJP-LLVKDONJSA-N -1 0 317.305 -0.009 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000827264429 603668843 /nfs/dbraw/zinc/66/88/43/603668843.db2.gz AMNMNHKNOHVNID-UHFFFAOYSA-N -1 0 321.399 -0.130 20 0 DBADRM COCCCS(=O)(=O)NCCN1CCO[C@@H](CC(=O)[O-])C1 ZINC000831705271 601451838 /nfs/dbraw/zinc/45/18/38/601451838.db2.gz IIDGEAPKFPFCFD-NSHDSACASA-N -1 0 324.399 -0.882 20 0 DBADRM CC(C)CN1CCO[C@@H](CNS(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC000826886119 601774844 /nfs/dbraw/zinc/77/48/44/601774844.db2.gz QFCFUQXJQNMWPG-NEPJUHHUSA-N -1 0 322.427 -0.017 20 0 DBADRM C[C@@H](CS(=O)(=O)NCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000827557753 601798484 /nfs/dbraw/zinc/79/84/84/601798484.db2.gz GSVMEYXRDNGIHR-ZETCQYMHSA-N -1 0 301.386 -0.550 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)C[C@H](C)C(=O)OC ZINC000831584932 601799234 /nfs/dbraw/zinc/79/92/34/601799234.db2.gz ISQQALNHVVVMFJ-KWQFWETISA-N -1 0 311.356 -0.405 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000739464331 602325969 /nfs/dbraw/zinc/32/59/69/602325969.db2.gz WKLIDNUBJKIGDU-UHFFFAOYSA-N -1 0 300.359 -0.733 20 0 DBADRM CCN1C(=S)N=NC1CNC(=O)COCCNC(=O)[O-] ZINC000739562550 602666038 /nfs/dbraw/zinc/66/60/38/602666038.db2.gz AIWQEZWRXLAGKF-UHFFFAOYSA-N -1 0 303.344 -0.513 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000739838274 602761723 /nfs/dbraw/zinc/76/17/23/602761723.db2.gz PBEYLRMQWYQMBS-ZJUUUORDSA-N -1 0 322.383 -0.400 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000738754850 603023458 /nfs/dbraw/zinc/02/34/58/603023458.db2.gz WKNIIXVIBYZDRH-MRVPVSSYSA-N -1 0 322.387 -0.936 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000829018881 603165022 /nfs/dbraw/zinc/16/50/22/603165022.db2.gz YQEKAJMQTSSISY-JTQLQIEISA-N -1 0 322.383 -0.352 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)CCCC(=O)OC)CCC1 ZINC000734088408 678275022 /nfs/dbraw/zinc/27/50/22/678275022.db2.gz CKHCPSBNAIQXTA-UHFFFAOYSA-N -1 0 320.367 -0.698 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000736366939 599844924 /nfs/dbraw/zinc/84/49/24/599844924.db2.gz YSGYUYDYFVIUKW-VHSXEESVSA-N -1 0 321.399 -0.181 20 0 DBADRM COC(=O)COc1ccc(S(=O)(=O)N(C)CC(=O)[O-])cc1 ZINC000261728356 596908475 /nfs/dbraw/zinc/90/84/75/596908475.db2.gz FRUHZZZIVRFLML-UHFFFAOYSA-N -1 0 317.319 -0.057 20 0 DBADRM CN(CC(=O)[O-])C(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC000739631626 596911901 /nfs/dbraw/zinc/91/19/01/596911901.db2.gz OYDUCIPATXJPAH-UHFFFAOYSA-N -1 0 317.392 -0.275 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000050877926 596931304 /nfs/dbraw/zinc/93/13/04/596931304.db2.gz NHVNRLOOHAMYGM-LLVKDONJSA-N -1 0 318.395 -0.572 20 0 DBADRM CCn1nc2c(cc1=O)CN(C(=O)CSCC(=O)[O-])CC2 ZINC000818363756 596932307 /nfs/dbraw/zinc/93/23/07/596932307.db2.gz RTANKERLIHADHP-UHFFFAOYSA-N -1 0 311.363 -0.034 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCC(C(=O)[O-])CC1 ZINC000737561139 596938242 /nfs/dbraw/zinc/93/82/42/596938242.db2.gz NRWBAJQZSVDZPW-ONGXEEELSA-N -1 0 318.395 -0.525 20 0 DBADRM Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)[O-] ZINC000740279578 596983041 /nfs/dbraw/zinc/98/30/41/596983041.db2.gz YELKQIBQWYAXPX-SSDOTTSWSA-N -1 0 305.381 -0.031 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N(C)CCC(=O)[O-] ZINC000818113894 597005220 /nfs/dbraw/zinc/00/52/20/597005220.db2.gz RZORCKDACTYION-NXEZZACHSA-N -1 0 321.399 -0.228 20 0 DBADRM Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NCC(=O)[O-] ZINC000740208532 597023159 /nfs/dbraw/zinc/02/31/59/597023159.db2.gz RCRCFUXPZAQTAV-UHFFFAOYSA-N -1 0 302.290 -0.116 20 0 DBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCC(=O)[O-] ZINC000261877551 597027724 /nfs/dbraw/zinc/02/77/24/597027724.db2.gz SJZRTZNNHPUUIE-UHFFFAOYSA-N -1 0 307.349 -0.239 20 0 DBADRM COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCC(=O)[O-] ZINC000739879365 597042401 /nfs/dbraw/zinc/04/24/01/597042401.db2.gz GGEVDJQUXKOLKX-UHFFFAOYSA-N -1 0 323.305 -0.464 20 0 DBADRM CCNC(=O)Nc1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000739463460 597042701 /nfs/dbraw/zinc/04/27/01/597042701.db2.gz OSQCDRDHLIUAOG-UHFFFAOYSA-N -1 0 308.294 -0.033 20 0 DBADRM CCCNC(=O)c1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000739367344 597044424 /nfs/dbraw/zinc/04/44/24/597044424.db2.gz UCQPUFWNJOQKMP-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCC(=O)[O-] ZINC000740102720 597045212 /nfs/dbraw/zinc/04/52/12/597045212.db2.gz GTJNONKZNCFWJF-UHFFFAOYSA-N -1 0 307.306 -0.164 20 0 DBADRM Cn1ncc2c1nnn(CN1CCC[C@@H](CC(=O)[O-])C1)c2=O ZINC000819084648 597045264 /nfs/dbraw/zinc/04/52/64/597045264.db2.gz XORQTAGJCJQFHI-VIFPVBQESA-N -1 0 306.326 -0.331 20 0 DBADRM CS(=O)(=O)c1ccccc1NC(=O)C(=O)NCC(=O)[O-] ZINC000739998180 597045526 /nfs/dbraw/zinc/04/55/26/597045526.db2.gz MDCNAABSQPDOGN-UHFFFAOYSA-N -1 0 300.292 -0.771 20 0 DBADRM C[C@@H]1Oc2ccc(NC(=O)C(=O)NCC(=O)[O-])cc2NC1=O ZINC000739215958 597045805 /nfs/dbraw/zinc/04/58/05/597045805.db2.gz SVEJRWLPCOEJNN-LURJTMIESA-N -1 0 307.262 -0.455 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000740483399 597046162 /nfs/dbraw/zinc/04/61/62/597046162.db2.gz ZECVKNOBHRHYJY-UHFFFAOYSA-N -1 0 306.278 -0.431 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000740482765 597046362 /nfs/dbraw/zinc/04/63/62/597046362.db2.gz DDUCCXKVERBKGR-UHFFFAOYSA-N -1 0 306.278 -0.645 20 0 DBADRM COc1cc(NC(=O)C(=O)NCC(=O)[O-])cc(OC)c1OC ZINC000739865069 597046890 /nfs/dbraw/zinc/04/68/90/597046890.db2.gz JSTGPDIRXTUNSZ-UHFFFAOYSA-N -1 0 312.278 -0.148 20 0 DBADRM CN(C)C(=O)COc1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000739597325 597047332 /nfs/dbraw/zinc/04/73/32/597047332.db2.gz QOPMJTPEDAQRRA-UHFFFAOYSA-N -1 0 323.305 -0.707 20 0 DBADRM Cn1cnnc1-c1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000740294176 597047644 /nfs/dbraw/zinc/04/76/44/597047644.db2.gz KHORAPSCOMBVEX-UHFFFAOYSA-N -1 0 303.278 -0.379 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000740483254 597048663 /nfs/dbraw/zinc/04/86/63/597048663.db2.gz SWDFDHMXKXFNMY-UHFFFAOYSA-N -1 0 321.333 -0.342 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)O1 ZINC000819111367 597065428 /nfs/dbraw/zinc/06/54/28/597065428.db2.gz RWRCDLSDUWUUQZ-VWYCJHECSA-N -1 0 313.354 -0.084 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000819351596 597092515 /nfs/dbraw/zinc/09/25/15/597092515.db2.gz ZTWCBJWWTYWKMP-LLVKDONJSA-N -1 0 318.395 -0.570 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)CSCC(=O)[O-])CC1 ZINC000128024453 597095867 /nfs/dbraw/zinc/09/58/67/597095867.db2.gz LPOLFSHFCSKYCD-UHFFFAOYSA-N -1 0 310.397 -0.656 20 0 DBADRM O=C([O-])CSCC(=O)OCCn1nc2ccccn2c1=O ZINC000740487878 597107580 /nfs/dbraw/zinc/10/75/80/597107580.db2.gz VVASVLRJPLBPKA-UHFFFAOYSA-N -1 0 311.319 -0.143 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)NCCC(=O)[O-] ZINC000262192467 597112903 /nfs/dbraw/zinc/11/29/03/597112903.db2.gz HAPLMYLGCDXMIQ-UHFFFAOYSA-N -1 0 302.308 -0.453 20 0 DBADRM O=C([O-])CCNC(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000262235511 597115921 /nfs/dbraw/zinc/11/59/21/597115921.db2.gz NTLLBHROKSWGAO-UHFFFAOYSA-N -1 0 305.290 -0.057 20 0 DBADRM NC(=O)[C@@H]1CC(C(=O)NCCC(=O)[O-])=NN1c1ccc(F)cc1 ZINC000740324132 597117670 /nfs/dbraw/zinc/11/76/70/597117670.db2.gz DXJDNHHUDGLGAL-NSHDSACASA-N -1 0 322.296 -0.163 20 0 DBADRM CN(C)C(=O)CCN1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000818368596 597125284 /nfs/dbraw/zinc/12/52/84/597125284.db2.gz GLCPHQZDMVPISR-UHFFFAOYSA-N -1 0 314.386 -0.343 20 0 DBADRM C[C@@H]1CN(C(=O)CSCC(=O)[O-])C[C@H]1N1CCOCC1 ZINC000739140885 597127327 /nfs/dbraw/zinc/12/73/27/597127327.db2.gz WFDKIMHUHYOKQN-GHMZBOCLSA-N -1 0 302.396 -0.017 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000819473616 597136271 /nfs/dbraw/zinc/13/62/71/597136271.db2.gz RFHAVAUWTPRMMJ-UHFFFAOYSA-N -1 0 308.216 -0.025 20 0 DBADRM O=C([O-])CCCCCNC(=O)CN1CCS(=O)(=O)CC1 ZINC000819390772 597152993 /nfs/dbraw/zinc/15/29/93/597152993.db2.gz ZVCBQPUDDCTOMU-UHFFFAOYSA-N -1 0 306.384 -0.522 20 0 DBADRM C[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1)C(=O)[O-] ZINC000738953766 597180677 /nfs/dbraw/zinc/18/06/77/597180677.db2.gz HAVAAWHCMBJTCM-RKDXNWHRSA-N -1 0 304.306 -0.086 20 0 DBADRM CCCS(=O)(=O)N1CCC(NC(=O)NCCC(=O)[O-])CC1 ZINC000818181021 597213667 /nfs/dbraw/zinc/21/36/67/597213667.db2.gz BFJCKMCQMBICEP-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)nc1)C(=O)[O-] ZINC000818266618 597220637 /nfs/dbraw/zinc/22/06/37/597220637.db2.gz HOUIAQBULUWSSB-SECBINFHSA-N -1 0 318.293 -0.420 20 0 DBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000817926052 597220799 /nfs/dbraw/zinc/22/07/99/597220799.db2.gz HCLNBVSGLHFOQP-SNVBAGLBSA-N -1 0 307.306 -0.051 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000818269726 597221623 /nfs/dbraw/zinc/22/16/23/597221623.db2.gz NPCHDTRDJSBSOQ-SNVBAGLBSA-N -1 0 318.293 -0.420 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000818266608 597222087 /nfs/dbraw/zinc/22/20/87/597222087.db2.gz GSNLYJUYVOCSCR-SNVBAGLBSA-N -1 0 318.293 -0.420 20 0 DBADRM Cn1ccc(N2CCC[C@H](NC(=O)NCCC(=O)[O-])C2=O)n1 ZINC000819072109 597228034 /nfs/dbraw/zinc/22/80/34/597228034.db2.gz CMHQTCAUWBXITE-VIFPVBQESA-N -1 0 309.326 -0.311 20 0 DBADRM CN1C(=O)COc2ccc(NC(=O)C(=O)NCC(=O)[O-])cc21 ZINC000818478177 597251473 /nfs/dbraw/zinc/25/14/73/597251473.db2.gz FPPFPUGKQGXYRM-UHFFFAOYSA-N -1 0 307.262 -0.819 20 0 DBADRM CS(=O)(=O)c1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1 ZINC000738140952 597253179 /nfs/dbraw/zinc/25/31/79/597253179.db2.gz SXDMXOSEHBSBFD-UHFFFAOYSA-N -1 0 314.319 -0.381 20 0 DBADRM CN(C)C(=O)c1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1 ZINC000737951109 597253612 /nfs/dbraw/zinc/25/36/12/597253612.db2.gz QIOPBYNHFMRUMO-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCCC(=O)[O-] ZINC000818149055 597254008 /nfs/dbraw/zinc/25/40/08/597254008.db2.gz BLJUGMNFQIETOV-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@]1([C@H]2CCCN(C(=O)NCCC(=O)[O-])C2)NC(=O)NC1=O ZINC000818080491 597254076 /nfs/dbraw/zinc/25/40/76/597254076.db2.gz MCPUTUNZHNKZDK-SDBXPKJASA-N -1 0 312.326 -0.519 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000737545226 597270066 /nfs/dbraw/zinc/27/00/66/597270066.db2.gz AALYCBDXBQIRGL-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCCC(=O)[O-] ZINC000818645290 597292830 /nfs/dbraw/zinc/29/28/30/597292830.db2.gz IGFNOMSZBZIEOU-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM O=C([O-])CCNC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000819477372 597293656 /nfs/dbraw/zinc/29/36/56/597293656.db2.gz AWPJDXBREIGHQT-NSHDSACASA-N -1 0 313.354 -0.259 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000818213735 597307954 /nfs/dbraw/zinc/30/79/54/597307954.db2.gz UCJRNMKRHPDLQC-UHFFFAOYSA-N -1 0 300.359 -0.686 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCCC(=O)[O-] ZINC000037465273 597311214 /nfs/dbraw/zinc/31/12/14/597311214.db2.gz WTBICOYKLZRZMY-SECBINFHSA-N -1 0 308.356 -0.287 20 0 DBADRM C[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1)C(=O)[O-] ZINC000738953756 597331066 /nfs/dbraw/zinc/33/10/66/597331066.db2.gz HAVAAWHCMBJTCM-BDAKNGLRSA-N -1 0 304.306 -0.086 20 0 DBADRM O=C([O-])[C@@H]1CC(C(=O)NCCOCCO)=NN1c1ccccc1 ZINC000819181656 597336968 /nfs/dbraw/zinc/33/69/68/597336968.db2.gz RGDDHOOMZHNWEN-ZDUSSCGKSA-N -1 0 321.333 -0.169 20 0 DBADRM CCc1ncsc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000820498549 597349858 /nfs/dbraw/zinc/34/98/58/597349858.db2.gz NTNCGQMHVHNROM-MRVPVSSYSA-N -1 0 313.335 -0.044 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000820498650 597350748 /nfs/dbraw/zinc/35/07/48/597350748.db2.gz WVJKRQUSEODZMK-SECBINFHSA-N -1 0 308.294 -0.711 20 0 DBADRM O=C([O-])CCNC(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000819473253 597360055 /nfs/dbraw/zinc/36/00/55/597360055.db2.gz HYBKVEOLGVHSFK-SNVBAGLBSA-N -1 0 322.321 -0.232 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(-n3cncn3)nc2)CCO1 ZINC000386871658 597379204 /nfs/dbraw/zinc/37/92/04/597379204.db2.gz DBQDTINFYOFAHM-SNVBAGLBSA-N -1 0 303.278 -0.412 20 0 DBADRM CCc1c(C(=O)OCC(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000820474447 597387869 /nfs/dbraw/zinc/38/78/69/597387869.db2.gz WFPYUKWQZGEDQE-UHFFFAOYSA-N -1 0 321.289 -0.564 20 0 DBADRM CC[C@]1(c2cnn(C)c2)NC(=O)N(CN(C)CC(=O)[O-])C1=O ZINC000820290774 597393839 /nfs/dbraw/zinc/39/38/39/597393839.db2.gz PAIWFLGYDTUJKU-CYBMUJFWSA-N -1 0 309.326 -0.449 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2nnc3n2CCCCC3)CCO1 ZINC000738548388 597414525 /nfs/dbraw/zinc/41/45/25/597414525.db2.gz IYXUFEICAYJTOL-JTQLQIEISA-N -1 0 323.353 -0.001 20 0 DBADRM CCc1onc(C)c1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000820507111 597419070 /nfs/dbraw/zinc/41/90/70/597419070.db2.gz SKVLRHQIJANICJ-SECBINFHSA-N -1 0 311.294 -0.204 20 0 DBADRM CCc1onc(C)c1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000820507112 597419296 /nfs/dbraw/zinc/41/92/96/597419296.db2.gz SKVLRHQIJANICJ-VIFPVBQESA-N -1 0 311.294 -0.204 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccn(-c2ncccc2F)n1 ZINC000821529077 597419814 /nfs/dbraw/zinc/41/98/14/597419814.db2.gz DQHZBNYAZAJHHA-UHFFFAOYSA-N -1 0 307.241 -0.454 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccn(-c2ncccc2F)n1 ZINC000821525640 597419877 /nfs/dbraw/zinc/41/98/77/597419877.db2.gz ZZKGBLHIJYFRTL-UHFFFAOYSA-N -1 0 321.268 -0.064 20 0 DBADRM COC(=O)CSCCNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000818507007 597425474 /nfs/dbraw/zinc/42/54/74/597425474.db2.gz WNFUMXNIMKACGH-QMMMGPOBSA-N -1 0 306.340 -0.612 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)N(C)[C@H](C)C(=O)[O-])CC1 ZINC000054052063 597457580 /nfs/dbraw/zinc/45/75/80/597457580.db2.gz UJTZJBWCIFEQPS-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000817791334 597458595 /nfs/dbraw/zinc/45/85/95/597458595.db2.gz DLOZZXIPBNPRFF-UHFFFAOYSA-N -1 0 303.384 -0.788 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000262924664 597466357 /nfs/dbraw/zinc/46/63/57/597466357.db2.gz VZRZQPWBMXWXFP-ZCFIWIBFSA-N -1 0 306.278 -0.421 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000817772013 597471161 /nfs/dbraw/zinc/47/11/61/597471161.db2.gz DLGWYBFPLJISRW-QMMMGPOBSA-N -1 0 315.351 -0.323 20 0 DBADRM CCN(C(=O)CN(C)[C@@H](C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000054069550 597471927 /nfs/dbraw/zinc/47/19/27/597471927.db2.gz GLCOQPQOVDYKNL-UWVGGRQHSA-N -1 0 306.384 -0.573 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000817772049 597474331 /nfs/dbraw/zinc/47/43/31/597474331.db2.gz GTTOPAHKDCKFEE-NSHDSACASA-N -1 0 323.349 -0.031 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000817772391 597474908 /nfs/dbraw/zinc/47/49/08/597474908.db2.gz XFTHJBIELHKKCE-QMMMGPOBSA-N -1 0 315.351 -0.323 20 0 DBADRM C[C@H](C(=O)[O-])N(C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000817772299 597475815 /nfs/dbraw/zinc/47/58/15/597475815.db2.gz SHOVIVVSBKPPBX-ZCFIWIBFSA-N -1 0 310.310 -0.546 20 0 DBADRM Cn1nc2c(c1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)CCC2 ZINC000821314943 597489821 /nfs/dbraw/zinc/48/98/21/597489821.db2.gz DHJRMPHYZIDNDF-SNVBAGLBSA-N -1 0 322.321 -0.841 20 0 DBADRM COC(=O)CNC(=O)Cc1ccc(NC(=O)NCC(=O)[O-])cc1 ZINC000818502311 597490929 /nfs/dbraw/zinc/49/09/29/597490929.db2.gz SZQSHDQLJILSQO-UHFFFAOYSA-N -1 0 323.305 -0.276 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)[O-] ZINC000738108141 597495384 /nfs/dbraw/zinc/49/53/84/597495384.db2.gz XQOJDOJFAKHXCK-LURJTMIESA-N -1 0 303.292 -0.028 20 0 DBADRM C[C@@H](OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)[O-] ZINC000737704582 597497521 /nfs/dbraw/zinc/49/75/21/597497521.db2.gz KIOZIWZPKDSCGU-ZCFIWIBFSA-N -1 0 307.262 -0.738 20 0 DBADRM C[C@@H](OC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C(=O)[O-] ZINC000737711068 597497905 /nfs/dbraw/zinc/49/79/05/597497905.db2.gz ZBPMEAYCPYOYQE-MRVPVSSYSA-N -1 0 320.309 -0.248 20 0 DBADRM CN(CC(=O)N1CC[C@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000818394645 597504803 /nfs/dbraw/zinc/50/48/03/597504803.db2.gz JKKWRFQPZFCRSA-VHSXEESVSA-N -1 0 304.368 -0.962 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000400190804 597506846 /nfs/dbraw/zinc/50/68/46/597506846.db2.gz LRPIPVAORVRLND-SECBINFHSA-N -1 0 319.383 -0.474 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000400103347 597509662 /nfs/dbraw/zinc/50/96/62/597509662.db2.gz BUMLAAHMBQUECI-UWVGGRQHSA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1)C(=O)[O-] ZINC000818018356 597515593 /nfs/dbraw/zinc/51/55/93/597515593.db2.gz OOPHAHOSMBNIFO-ZETCQYMHSA-N -1 0 321.268 -0.066 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccccc1Cn1cncn1)C(=O)[O-] ZINC000818022991 597517790 /nfs/dbraw/zinc/51/77/90/597517790.db2.gz PKXREPSCNCATNF-SECBINFHSA-N -1 0 317.305 -0.146 20 0 DBADRM COCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000818530705 597517820 /nfs/dbraw/zinc/51/78/20/597517820.db2.gz RLYSWYUCUPPXIN-QMMMGPOBSA-N -1 0 323.305 -0.201 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000818017578 597518147 /nfs/dbraw/zinc/51/81/47/597518147.db2.gz CEUVYVPXCRQADO-LURJTMIESA-N -1 0 315.307 -0.987 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000818017787 597520053 /nfs/dbraw/zinc/52/00/53/597520053.db2.gz HSHWSCDDPSQMGG-SSDOTTSWSA-N -1 0 309.278 -0.922 20 0 DBADRM C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](C(=O)[O-])C1 ZINC000817728013 597528736 /nfs/dbraw/zinc/52/87/36/597528736.db2.gz UWRUOMCRGVCQQO-OUAUKWLOSA-N -1 0 318.395 -0.573 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000261677834 597533078 /nfs/dbraw/zinc/53/30/78/597533078.db2.gz LHOSPRRJXOFNJT-JTQLQIEISA-N -1 0 310.372 -0.768 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C/c1ccncn1)[C@@H](C)C(=O)[O-] ZINC000819744520 597688067 /nfs/dbraw/zinc/68/80/67/597688067.db2.gz RLBZCOLVFCIYRY-FSIBCCDJSA-N -1 0 306.322 -0.072 20 0 DBADRM COc1ccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])nn1 ZINC000820814549 597691658 /nfs/dbraw/zinc/69/16/58/597691658.db2.gz BDNCJNDSMOTJMN-MRVPVSSYSA-N -1 0 310.310 -0.463 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C\c1cnn(C)c1)[C@@H](C)C(=O)[O-] ZINC000781136914 597693649 /nfs/dbraw/zinc/69/36/49/597693649.db2.gz RFEFBZSUSURKLN-LWTINBJPSA-N -1 0 308.338 -0.129 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cn(C)c1=O ZINC000820986378 597714180 /nfs/dbraw/zinc/71/41/80/597714180.db2.gz POPGNTRXJMYYMM-UHFFFAOYSA-N -1 0 321.333 -0.045 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000820949352 597714341 /nfs/dbraw/zinc/71/43/41/597714341.db2.gz RPHJZWTZEIGKEI-VIFPVBQESA-N -1 0 307.306 -0.435 20 0 DBADRM Cn1cc(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)nn1 ZINC000821287655 597731231 /nfs/dbraw/zinc/73/12/31/597731231.db2.gz QNIGGYWPYPTPOY-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM CNC(=O)c1cccc(C[S@](=O)CC(=O)NCC(=O)[O-])c1 ZINC000820640641 597736899 /nfs/dbraw/zinc/73/68/99/597736899.db2.gz IHZAQMFIVNMEBY-NRFANRHFSA-N -1 0 312.347 -0.504 20 0 DBADRM CCOc1cccc(C[S@](=O)CC(=O)NCC(=O)[O-])n1 ZINC000820391753 597738020 /nfs/dbraw/zinc/73/80/20/597738020.db2.gz KVOLNWINAIALIE-FQEVSTJZSA-N -1 0 300.336 -0.070 20 0 DBADRM Cc1c(NCC(=O)NCC(=O)[O-])cccc1C(=O)NCCO ZINC000820949179 597746807 /nfs/dbraw/zinc/74/68/07/597746807.db2.gz CHOAUWHLTQLYLL-UHFFFAOYSA-N -1 0 309.322 -0.670 20 0 DBADRM Cn1cnn(-c2ccc(NCC(=O)NCC(=O)[O-])cc2)c1=O ZINC000821310736 597748369 /nfs/dbraw/zinc/74/83/69/597748369.db2.gz MRWINNDGRVCWHB-UHFFFAOYSA-N -1 0 305.294 -0.816 20 0 DBADRM Cc1occc1-c1nnc(SCC(=O)NCC(=O)[O-])n1N ZINC000821248868 597749638 /nfs/dbraw/zinc/74/96/38/597749638.db2.gz ZDKOGQKDSRAXQQ-UHFFFAOYSA-N -1 0 311.323 -0.147 20 0 DBADRM O=C([O-])CNC(=O)COc1ccccc1C(=O)N1CCOCC1 ZINC000821533086 597752620 /nfs/dbraw/zinc/75/26/20/597752620.db2.gz XTJZHTUNDSDNGF-UHFFFAOYSA-N -1 0 322.317 -0.261 20 0 DBADRM O=C([O-])CNC(=O)CN(C1CC1)S(=O)(=O)c1cccnc1 ZINC000821529047 597753396 /nfs/dbraw/zinc/75/33/96/597753396.db2.gz BRMXWGQJPHIFCD-UHFFFAOYSA-N -1 0 313.335 -0.565 20 0 DBADRM Nn1c(SCC(=O)NCC(=O)[O-])nnc1[C@H]1CCCCO1 ZINC000821368696 597757299 /nfs/dbraw/zinc/75/72/99/597757299.db2.gz HAWXWVMGTKRKBC-SSDOTTSWSA-N -1 0 315.355 -0.474 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@H]2CCCCS2(=O)=O)CCO1 ZINC000821511562 597816056 /nfs/dbraw/zinc/81/60/56/597816056.db2.gz YYKACRFTGBGKTI-NXEZZACHSA-N -1 0 320.367 -0.551 20 0 DBADRM CS(=O)(=O)c1ccccc1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820899739 597821360 /nfs/dbraw/zinc/82/13/60/597821360.db2.gz DPKMESLVOXQSSN-UHFFFAOYSA-N -1 0 315.303 -0.552 20 0 DBADRM Cn1nc(C(=O)OCC(=O)NCC(=O)[O-])c2ccccc2c1=O ZINC000821310782 597822547 /nfs/dbraw/zinc/82/25/47/597822547.db2.gz PHIUYNKPGPGUIM-UHFFFAOYSA-N -1 0 319.273 -0.709 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)Cc1ccc2c(c1)OCCO2 ZINC000821532814 597829622 /nfs/dbraw/zinc/82/96/22/597829622.db2.gz YKVUAKSMTDUTMY-UHFFFAOYSA-N -1 0 309.274 -0.256 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cnc2sccn2c1=O ZINC000821531866 597830682 /nfs/dbraw/zinc/83/06/82/597830682.db2.gz BQUDFZOFJGRZRM-UHFFFAOYSA-N -1 0 311.275 -0.886 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(-n2cccn2)nc1 ZINC000821532109 597832407 /nfs/dbraw/zinc/83/24/07/597832407.db2.gz OOWJLAPYZOWXBV-UHFFFAOYSA-N -1 0 304.262 -0.375 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)OCC(=O)NCC(=O)[O-])CC1=O ZINC000819977001 597832907 /nfs/dbraw/zinc/83/29/07/597832907.db2.gz OALOTXKBXMRNJQ-VIFPVBQESA-N -1 0 300.311 -0.765 20 0 DBADRM CCc1c(C(=O)OCC(=O)NCC(=O)[O-])cnc2ncnn21 ZINC000820473925 597833050 /nfs/dbraw/zinc/83/30/50/597833050.db2.gz BBNBABOJLLBBJV-UHFFFAOYSA-N -1 0 307.266 -0.956 20 0 DBADRM Cc1nn(C)c2nc(C)c(C(=O)OCC(=O)NCC(=O)[O-])cc12 ZINC000821182220 597833291 /nfs/dbraw/zinc/83/32/91/597833291.db2.gz QTKHKWPELVGAEP-UHFFFAOYSA-N -1 0 320.305 -0.057 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)OCC(=O)NCC(=O)[O-])C1 ZINC000820257129 597835928 /nfs/dbraw/zinc/83/59/28/597835928.db2.gz XTAFNLWPPDCTAY-VIFPVBQESA-N -1 0 300.311 -0.621 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccccc1N1CCOCC1 ZINC000821533109 597839585 /nfs/dbraw/zinc/83/95/85/597839585.db2.gz YRKBQNKWNIGQBF-UHFFFAOYSA-N -1 0 322.317 -0.119 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N1CCC(C(=O)[O-])CC1 ZINC000821357103 598038325 /nfs/dbraw/zinc/03/83/25/598038325.db2.gz IPFDOKHFUCOQEN-UHFFFAOYSA-N -1 0 317.305 -0.235 20 0 DBADRM CCN(C(=O)[C@H](C)N(C)CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000820333144 598039494 /nfs/dbraw/zinc/03/94/94/598039494.db2.gz SQILVMPRPUUKSZ-UWVGGRQHSA-N -1 0 306.384 -0.573 20 0 DBADRM CC(C)[C@H](NC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC000820053406 598052556 /nfs/dbraw/zinc/05/25/56/598052556.db2.gz RIBZRAUPYMQDOW-VIFPVBQESA-N -1 0 301.324 -0.432 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000821357301 598052837 /nfs/dbraw/zinc/05/28/37/598052837.db2.gz OQSVRXXPNPMWFA-ZETCQYMHSA-N -1 0 303.278 -0.625 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)[O-])CC2)nc1 ZINC000821364034 598142244 /nfs/dbraw/zinc/14/22/44/598142244.db2.gz LGKNEFUWEQQZMY-UHFFFAOYSA-N -1 0 313.335 -0.334 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)NCCCCC(=O)[O-] ZINC000070199747 598165564 /nfs/dbraw/zinc/16/55/64/598165564.db2.gz DAZZOYHWKGLJKD-UHFFFAOYSA-N -1 0 303.340 -0.343 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)NCCCCC(=O)[O-])CC1 ZINC000820354320 598167782 /nfs/dbraw/zinc/16/77/82/598167782.db2.gz RYIPYEQLBSXSFB-UHFFFAOYSA-N -1 0 314.386 -0.295 20 0 DBADRM CCOC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cn1C ZINC000820368957 598170649 /nfs/dbraw/zinc/17/06/49/598170649.db2.gz AHXTWPBHIKHVGP-ZETCQYMHSA-N -1 0 311.294 -0.270 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000821345009 598174183 /nfs/dbraw/zinc/17/41/83/598174183.db2.gz DDUKBNPBHWUBIT-MRVPVSSYSA-N -1 0 305.290 -0.343 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCO[C@@H](CO)C1 ZINC000821470310 598175332 /nfs/dbraw/zinc/17/53/32/598175332.db2.gz KJRCSUFMAFRKNF-SECBINFHSA-N -1 0 308.290 -0.457 20 0 DBADRM NC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000821350104 598175726 /nfs/dbraw/zinc/17/57/26/598175726.db2.gz MGPJZRMVISSBHU-MRVPVSSYSA-N -1 0 320.305 -0.408 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[C@H](C(=O)[O-])C2)O1 ZINC000820524205 598180291 /nfs/dbraw/zinc/18/02/91/598180291.db2.gz JXOWZNSLFTUFIJ-AXFHLTTASA-N -1 0 313.354 -0.262 20 0 DBADRM O=C([O-])CCNC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000821525598 598190072 /nfs/dbraw/zinc/19/00/72/598190072.db2.gz WQMAZHCHAONFPU-SKDRFNHKSA-N -1 0 320.367 -0.503 20 0 DBADRM C[NH+](C)CCN(CC(=O)[O-])S(=O)(=O)N1CCOC(C)(C)C1 ZINC000820538891 598195810 /nfs/dbraw/zinc/19/58/10/598195810.db2.gz AJOVXDIUEQNMQS-UHFFFAOYSA-N -1 0 323.415 -0.710 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)CSCC(=O)[O-] ZINC000820653931 598205285 /nfs/dbraw/zinc/20/52/85/598205285.db2.gz UAMKHHUEBDDXDA-BDAKNGLRSA-N -1 0 305.352 -0.017 20 0 DBADRM CN(CC(=O)N1CCC[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000032074242 598208295 /nfs/dbraw/zinc/20/82/95/598208295.db2.gz VRGITDRGBTWQKB-NXEZZACHSA-N -1 0 304.368 -0.819 20 0 DBADRM CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O)C(=O)[O-] ZINC000819980108 598220512 /nfs/dbraw/zinc/22/05/12/598220512.db2.gz JTYFZOKTJLEIQE-GDPRMGEGSA-N -1 0 300.355 -0.123 20 0 DBADRM CN(C)S(=O)(=O)CCCn1cccc(-c2nnn[n-]2)c1=O ZINC000736771051 598283014 /nfs/dbraw/zinc/28/30/14/598283014.db2.gz HHSRVXFUCJSNSN-UHFFFAOYSA-N -1 0 312.355 -0.690 20 0 DBADRM CC(C)C[C@H](CO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000735771835 598501836 /nfs/dbraw/zinc/50/18/36/598501836.db2.gz PWIPYGZGYWNZCB-MRVPVSSYSA-N -1 0 323.357 -0.917 20 0 DBADRM CC[C@H]1CCCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736402258 598520815 /nfs/dbraw/zinc/52/08/15/598520815.db2.gz MORWJECYWZSUEH-QMMMGPOBSA-N -1 0 305.342 -0.357 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@H]2C2CC2)n(C)c1=O ZINC000737595095 598673526 /nfs/dbraw/zinc/67/35/26/598673526.db2.gz FVFCBQPOLIRISE-VIFPVBQESA-N -1 0 317.353 -0.357 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@H](O)C(C)(C)C)n(C)c1=O ZINC000737596354 598775752 /nfs/dbraw/zinc/77/57/52/598775752.db2.gz MPCXUKVGQRQPPT-SSDOTTSWSA-N -1 0 323.357 -0.917 20 0 DBADRM C[C@@H]1[C@@H](C)CCCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820709212 599579015 /nfs/dbraw/zinc/57/90/15/599579015.db2.gz GCURTJDEFWZOAU-DTWKUNHWSA-N -1 0 319.369 -0.111 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821165809 599626129 /nfs/dbraw/zinc/62/61/29/599626129.db2.gz WJOVMYITSNXWOL-UHFFFAOYSA-N -1 0 310.339 -0.207 20 0 DBADRM CO[C@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(C)C ZINC000821677003 599687244 /nfs/dbraw/zinc/68/72/44/599687244.db2.gz LZXDPDAPOISZIC-MRVPVSSYSA-N -1 0 323.357 -0.653 20 0 DBADRM O=C(COC(=O)[C@H]1C[C@H]1C(=O)[O-])NC(=O)NCc1ccco1 ZINC000739321274 599703964 /nfs/dbraw/zinc/70/39/64/599703964.db2.gz OUHVVYTXHOIXTD-BDAKNGLRSA-N -1 0 310.262 -0.131 20 0 DBADRM NS(=O)(=O)c1ccc(OCCC(=O)NCCC(=O)[O-])cc1 ZINC000738446561 599707401 /nfs/dbraw/zinc/70/74/01/599707401.db2.gz KCCZJIAEQBQWPM-UHFFFAOYSA-N -1 0 316.335 -0.306 20 0 DBADRM CC(C)[C@H]1C(=O)NCCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000736389220 599711020 /nfs/dbraw/zinc/71/10/20/599711020.db2.gz ABYZDXRHVUGRRM-ZDUSSCGKSA-N -1 0 311.382 -0.234 20 0 DBADRM NC(=O)CNC(=O)c1cccc(NC(=O)CCCNC(=O)[O-])c1 ZINC000739162626 599721091 /nfs/dbraw/zinc/72/10/91/599721091.db2.gz FDGMYPHQHTZBNC-UHFFFAOYSA-N -1 0 322.321 -0.112 20 0 DBADRM CS(=O)(=O)NCCC(=O)Nc1cccc(C(=O)[O-])c1O ZINC000738164535 599721765 /nfs/dbraw/zinc/72/17/65/599721765.db2.gz AWBJLPDFUNVHJW-UHFFFAOYSA-N -1 0 302.308 -0.032 20 0 DBADRM CN(CCN1CCOCC1)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000737441024 599722435 /nfs/dbraw/zinc/72/24/35/599722435.db2.gz LIRGAAXHIDENJI-UHFFFAOYSA-N -1 0 313.398 -0.426 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000736133885 599733226 /nfs/dbraw/zinc/73/32/26/599733226.db2.gz FUFCAQGIHKWXLH-UHFFFAOYSA-N -1 0 320.349 -0.326 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000736477903 599741406 /nfs/dbraw/zinc/74/14/06/599741406.db2.gz UUVVEBALOHOQFP-UHFFFAOYSA-N -1 0 311.342 -0.637 20 0 DBADRM CCCCNC(=O)CN1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000736996524 599742265 /nfs/dbraw/zinc/74/22/65/599742265.db2.gz WQVUYRXLDBGNHB-UHFFFAOYSA-N -1 0 314.386 -0.295 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000096596074 599743191 /nfs/dbraw/zinc/74/31/91/599743191.db2.gz WXXGKBREIGKHFV-NWDGAFQWSA-N -1 0 306.318 -0.403 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000739370638 599744027 /nfs/dbraw/zinc/74/40/27/599744027.db2.gz INURHGMAXOUVPJ-LLVKDONJSA-N -1 0 305.290 -0.269 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)CCCNC(=O)[O-] ZINC000737220189 599746608 /nfs/dbraw/zinc/74/66/08/599746608.db2.gz IXHWQRQFMVTACX-UHFFFAOYSA-N -1 0 309.388 -0.178 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000737223141 599746946 /nfs/dbraw/zinc/74/69/46/599746946.db2.gz XMYWJIWIOFZQHG-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM COCC(=O)N1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC000737736148 599747205 /nfs/dbraw/zinc/74/72/05/599747205.db2.gz ONZQICUSVYPYTL-UHFFFAOYSA-N -1 0 304.368 -0.489 20 0 DBADRM CN(CCCC(=O)N1CCCN(CC(N)=O)CC1)C(=O)[O-] ZINC000737419540 599753804 /nfs/dbraw/zinc/75/38/04/599753804.db2.gz ZFAHLBLVJSFWTB-UHFFFAOYSA-N -1 0 300.359 -0.604 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)c1 ZINC000052096116 599774455 /nfs/dbraw/zinc/77/44/55/599774455.db2.gz LKZNMLOPGZUCGR-UHFFFAOYSA-N -1 0 302.356 -0.799 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)CCCNC(=O)[O-])CC1 ZINC000737515568 599784933 /nfs/dbraw/zinc/78/49/33/599784933.db2.gz LJWJCJVFNKJKOD-UHFFFAOYSA-N -1 0 300.359 -0.686 20 0 DBADRM COc1ccnc(N2CCN(CC(=O)NCCC(=O)[O-])CC2)c1 ZINC000738144009 599794503 /nfs/dbraw/zinc/79/45/03/599794503.db2.gz XJRLXDAWVWAMDB-UHFFFAOYSA-N -1 0 322.365 -0.197 20 0 DBADRM NS(=O)(=O)c1ccc(CCN2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000738446960 599804194 /nfs/dbraw/zinc/80/41/94/599804194.db2.gz VJKRGOQVDHOJMI-LBPRGKRZSA-N -1 0 314.363 -0.338 20 0 DBADRM CN(CCS(C)(=O)=O)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000737449182 599810783 /nfs/dbraw/zinc/81/07/83/599810783.db2.gz NMQVZYLQKZKKAR-UHFFFAOYSA-N -1 0 320.411 -0.134 20 0 DBADRM CCOC(=O)C1=C(Cn2cnc(C(=O)[O-])n2)NC(=O)N[C@H]1C ZINC000737133371 599824381 /nfs/dbraw/zinc/82/43/81/599824381.db2.gz DCBLUHATSRWCEB-LURJTMIESA-N -1 0 309.282 -0.505 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@H](NC(=O)[O-])C(C)C ZINC000737762775 599845881 /nfs/dbraw/zinc/84/58/81/599845881.db2.gz OFFCFMKTBLSILZ-LLVKDONJSA-N -1 0 303.359 -0.110 20 0 DBADRM CN(C(=O)CCn1cc(S(N)(=O)=O)cn1)C(C)(C)C(=O)[O-] ZINC000737324627 599848277 /nfs/dbraw/zinc/84/82/77/599848277.db2.gz SNZCBWJZXMUYOL-UHFFFAOYSA-N -1 0 318.355 -0.758 20 0 DBADRM O=C([O-])c1cccc(C(=O)NCCCN2C(=O)CNC2=O)n1 ZINC000740214763 599852218 /nfs/dbraw/zinc/85/22/18/599852218.db2.gz KEOBESLZXZGFGO-UHFFFAOYSA-N -1 0 306.278 -0.549 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)COC(=O)C(C)(C)NC(=O)[O-] ZINC000736260690 599862424 /nfs/dbraw/zinc/86/24/24/599862424.db2.gz HYZRQVAWBMQNGB-UHFFFAOYSA-N -1 0 317.342 -0.393 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NC1CCN(CC(N)=O)CC1 ZINC000736366827 599871849 /nfs/dbraw/zinc/87/18/49/599871849.db2.gz XGYMEHOYVVKCBG-LLVKDONJSA-N -1 0 300.359 -0.656 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)NCCSCC(=O)[O-] ZINC000736262431 599888611 /nfs/dbraw/zinc/88/86/11/599888611.db2.gz GZBMIVBTWRBHCG-UHFFFAOYSA-N -1 0 312.413 -0.362 20 0 DBADRM O=C([O-])[C@H]1CN(C(=S)NCCCN2CCOCC2)CCO1 ZINC000738552070 599891565 /nfs/dbraw/zinc/89/15/65/599891565.db2.gz WHAPUKPBSREDTR-LLVKDONJSA-N -1 0 317.411 -0.631 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)CCCC(=O)[O-] ZINC000736147448 599899675 /nfs/dbraw/zinc/89/96/75/599899675.db2.gz ASRLNCOWQYDHOT-LLVKDONJSA-N -1 0 313.354 -0.563 20 0 DBADRM CCn1ccnc1CN1CCN([C@@H](C)C(=O)NCC(=O)[O-])CC1 ZINC000737303907 599915823 /nfs/dbraw/zinc/91/58/23/599915823.db2.gz TXHNURYCUDBADH-LBPRGKRZSA-N -1 0 323.397 -0.390 20 0 DBADRM CCOCCN1CCN([C@H](C)C(=O)NCC(=O)[O-])C[C@H]1C ZINC000737177688 599916367 /nfs/dbraw/zinc/91/63/67/599916367.db2.gz ZYPSKLANVWKXAZ-VXGBXAGGSA-N -1 0 301.387 -0.382 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCN(C[C@H](C)O)CC1)C(=O)[O-] ZINC000736413856 599921038 /nfs/dbraw/zinc/92/10/38/599921038.db2.gz VOMLOMCVHYOEGM-QWHCGFSZSA-N -1 0 315.414 -0.400 20 0 DBADRM CCOc1ccnc(N2CCN(CC(=O)NCC(=O)[O-])CC2)n1 ZINC000737217760 599922372 /nfs/dbraw/zinc/92/23/72/599922372.db2.gz IMTNHXKAEWLYLK-UHFFFAOYSA-N -1 0 323.353 -0.802 20 0 DBADRM Cc1nc(CN2CCCN(CC(=O)NCC(=O)[O-])CC2)oc1C ZINC000738856747 599923167 /nfs/dbraw/zinc/92/31/67/599923167.db2.gz GFOZDWYMPZTQCT-UHFFFAOYSA-N -1 0 324.381 0.000 20 0 DBADRM C[C@H](Sc1nnnn1C1CCOCC1)C(=O)NCC(=O)[O-] ZINC000736715047 599926003 /nfs/dbraw/zinc/92/60/03/599926003.db2.gz LDZOMSPELNUOJT-ZETCQYMHSA-N -1 0 315.355 -0.294 20 0 DBADRM CC(C)OC(=O)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000308764996 599938104 /nfs/dbraw/zinc/93/81/04/599938104.db2.gz YPQMGPSBRHSTNK-UHFFFAOYSA-N -1 0 308.356 -0.431 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CCO[C@H](C(=O)[O-])C2)CCCC1 ZINC000262985133 599939638 /nfs/dbraw/zinc/93/96/38/599939638.db2.gz NQJABOJILFVBMR-VIFPVBQESA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CCO1 ZINC000261839241 599941753 /nfs/dbraw/zinc/94/17/53/599941753.db2.gz CGSLDQFMPUHWLM-JGVFFNPUSA-N -1 0 324.255 -0.291 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)nc2n1 ZINC000314887075 599944273 /nfs/dbraw/zinc/94/42/73/599944273.db2.gz ZXDDGRNZMHNXBH-SECBINFHSA-N -1 0 305.294 -0.333 20 0 DBADRM Cc1nnc2ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])cn12 ZINC000738936270 599945683 /nfs/dbraw/zinc/94/56/83/599945683.db2.gz CXFWPTMJMRFPJJ-ZETCQYMHSA-N -1 0 306.278 -0.216 20 0 DBADRM NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738438647 599948477 /nfs/dbraw/zinc/94/84/77/599948477.db2.gz BQTOJLMKYVOTHR-NEPJUHHUSA-N -1 0 321.333 -0.422 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1CCCCNC1=O ZINC000737384912 599955680 /nfs/dbraw/zinc/95/56/80/599955680.db2.gz MRXXODOXXOJZIC-GFCCVEGCSA-N -1 0 311.382 -0.090 20 0 DBADRM Nc1cccc2c1C(=O)N(CN1CCO[C@@H](C(=O)[O-])C1)C2=O ZINC000738449240 599955818 /nfs/dbraw/zinc/95/58/18/599955818.db2.gz DTFPCCAUVKSSGT-SNVBAGLBSA-N -1 0 305.290 -0.392 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)CCSCC(=O)[O-])C1 ZINC000738157996 599964738 /nfs/dbraw/zinc/96/47/38/599964738.db2.gz NXDMTXTWFYUZMQ-SECBINFHSA-N -1 0 324.424 -0.266 20 0 DBADRM O=C(CN1CCO[C@H](C(=O)[O-])C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000738466322 599976298 /nfs/dbraw/zinc/97/62/98/599976298.db2.gz ZUYRIJBHIBLFEK-NSHDSACASA-N -1 0 320.305 -0.008 20 0 DBADRM O=C(CN1CCO[C@H](C(=O)[O-])C1)NC(=O)NCc1ccco1 ZINC000387056741 599977920 /nfs/dbraw/zinc/97/79/20/599977920.db2.gz QWQSFIJEVZVCRS-JTQLQIEISA-N -1 0 311.294 -0.609 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1CC(=O)NCC1CCCCC1 ZINC000739636044 599981928 /nfs/dbraw/zinc/98/19/28/599981928.db2.gz YWPUSRCRWQBLJG-GFCCVEGCSA-N -1 0 311.382 -0.042 20 0 DBADRM CN(Cc1ccccc1)C(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000309578840 599982537 /nfs/dbraw/zinc/98/25/37/599982537.db2.gz RFSSDHOZPGFMRT-ZDUSSCGKSA-N -1 0 319.361 -0.080 20 0 DBADRM CCOC(Cn1cc(C(=O)N(C)CC(=O)[O-])nn1)OCC ZINC000737157396 599985239 /nfs/dbraw/zinc/98/52/39/599985239.db2.gz LQBHJEFCRYEQOQ-UHFFFAOYSA-N -1 0 300.315 -0.166 20 0 DBADRM O=C([O-])c1cccc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)n1 ZINC000740303810 599987238 /nfs/dbraw/zinc/98/72/38/599987238.db2.gz LRRLULIEELNCPI-SNVBAGLBSA-N -1 0 303.274 -0.201 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000738551953 599987778 /nfs/dbraw/zinc/98/77/78/599987778.db2.gz QVKSNWFWWWREEI-SNVBAGLBSA-N -1 0 303.274 -0.151 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)C1(C(=O)NC)CC1)C(=O)[O-] ZINC000736874571 599990591 /nfs/dbraw/zinc/99/05/91/599990591.db2.gz ALGCNNLPGDRUQX-WPRPVWTQSA-N -1 0 314.338 -0.329 20 0 DBADRM CC(C)CN(C(=O)CN(C)CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000736437554 599998066 /nfs/dbraw/zinc/99/80/66/599998066.db2.gz LMXWPPAKIOZXDF-NSHDSACASA-N -1 0 320.411 -0.326 20 0 DBADRM O=C([O-])Nc1cccc(C(=O)OCC(=O)N2CCNC(=O)C2)c1 ZINC000740036940 599999163 /nfs/dbraw/zinc/99/91/63/599999163.db2.gz SGBSTVBWFITWFH-UHFFFAOYSA-N -1 0 321.289 -0.108 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)c1cccc(C(=O)[O-])n1 ZINC000737620407 600009702 /nfs/dbraw/zinc/00/97/02/600009702.db2.gz YCSIBCQHBQYBBR-UHFFFAOYSA-N -1 0 310.262 -0.432 20 0 DBADRM CNC(=O)c1ccc(C(=O)N(CC(=O)[O-])CC(=O)OC)cn1 ZINC000737545282 600009808 /nfs/dbraw/zinc/00/98/08/600009808.db2.gz YTTTZCVIOKIHDX-UHFFFAOYSA-N -1 0 309.278 -0.859 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)Nc1c(C)nn(C)c1C ZINC000737614893 600013006 /nfs/dbraw/zinc/01/30/06/600013006.db2.gz GYXDMWOAGBMZNX-UHFFFAOYSA-N -1 0 312.326 -0.465 20 0 DBADRM Cc1cc(=O)c(C(=O)N[C@@H](CO)C(=O)[O-])nn1-c1ccccc1 ZINC000738314818 600019268 /nfs/dbraw/zinc/01/92/68/600019268.db2.gz ROXYJCLQXMIDOB-NSHDSACASA-N -1 0 317.301 -0.284 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000036974640 600021018 /nfs/dbraw/zinc/02/10/18/600021018.db2.gz QETZLTNLUNRZCB-NSHDSACASA-N -1 0 318.395 -0.019 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000739574204 600022364 /nfs/dbraw/zinc/02/23/64/600022364.db2.gz TUNTZDLIIHNRLI-JTQLQIEISA-N -1 0 304.368 -0.960 20 0 DBADRM C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)[O-])C1=O ZINC000736737773 600025939 /nfs/dbraw/zinc/02/59/39/600025939.db2.gz AUNQYINFAUZAPD-ZDUSSCGKSA-N -1 0 316.277 -0.486 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1=O ZINC000261690680 600029776 /nfs/dbraw/zinc/02/97/76/600029776.db2.gz NGWHSZDCPMKCKB-SNVBAGLBSA-N -1 0 311.338 -0.016 20 0 DBADRM CC[C@@H](C)NC(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000736887207 600031354 /nfs/dbraw/zinc/03/13/54/600031354.db2.gz QDQNTRKCWOTYCF-MRVPVSSYSA-N -1 0 307.310 -0.408 20 0 DBADRM CCCCCNC(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000736990750 600032002 /nfs/dbraw/zinc/03/20/02/600032002.db2.gz SSZJNAJDUOJIIW-UHFFFAOYSA-N -1 0 321.337 -0.016 20 0 DBADRM NC(=O)c1cccc(CCNC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000738446881 600041028 /nfs/dbraw/zinc/04/10/28/600041028.db2.gz IBYDHDGLXVTAPC-LBPRGKRZSA-N -1 0 321.333 -0.177 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1CC(=O)NCc1ccccc1F ZINC000321631011 600042914 /nfs/dbraw/zinc/04/29/14/600042914.db2.gz PFSBXCVHXOXFGO-GFCCVEGCSA-N -1 0 323.324 -0.283 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000737394893 600043092 /nfs/dbraw/zinc/04/30/92/600043092.db2.gz OWRXWHIFRKPPNB-UHFFFAOYSA-N -1 0 304.306 -0.032 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1CC(=O)NCc1ccccc1F ZINC000321631013 600043134 /nfs/dbraw/zinc/04/31/34/600043134.db2.gz PFSBXCVHXOXFGO-LBPRGKRZSA-N -1 0 323.324 -0.283 20 0 DBADRM O=C([O-])C1CCC(NC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000739295880 600048868 /nfs/dbraw/zinc/04/88/68/600048868.db2.gz SXSGKONOABOCFO-UHFFFAOYSA-N -1 0 318.395 -0.524 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccc2nccn2c1 ZINC000739634959 600063226 /nfs/dbraw/zinc/06/32/26/600063226.db2.gz PKIFGRUATRBNNV-SNVBAGLBSA-N -1 0 302.290 -0.250 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)C[C@@H]1CCCCO1 ZINC000739636844 600081671 /nfs/dbraw/zinc/08/16/71/600081671.db2.gz RDFXXCTVYKRSBT-UWVGGRQHSA-N -1 0 320.367 -0.840 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)C[C@H]1CCCCO1 ZINC000737573013 600081757 /nfs/dbraw/zinc/08/17/57/600081757.db2.gz IIQOQVGFBQCAPV-BDAKNGLRSA-N -1 0 309.340 -0.509 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)c1cccc(C(=O)[O-])n1 ZINC000737226238 600088399 /nfs/dbraw/zinc/08/83/99/600088399.db2.gz GXNFDUFOKYRPTG-UHFFFAOYSA-N -1 0 302.308 -0.124 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262702039 600102119 /nfs/dbraw/zinc/10/21/19/600102119.db2.gz ZGQIBDMNCAKPCK-QMMMGPOBSA-N -1 0 304.310 -0.268 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000736138851 600105393 /nfs/dbraw/zinc/10/53/93/600105393.db2.gz MFXLZQRMLBCYCN-SVRRBLITSA-N -1 0 304.324 -0.960 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000736211825 600106959 /nfs/dbraw/zinc/10/69/59/600106959.db2.gz PDUHAANNGNDWRR-JLLWLGSASA-N -1 0 309.366 -0.482 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])s1 ZINC000739190152 600111291 /nfs/dbraw/zinc/11/12/91/600111291.db2.gz RUKLPOHQRLDHNX-NKWVEPMBSA-N -1 0 304.349 -0.268 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000037830778 600112181 /nfs/dbraw/zinc/11/21/81/600112181.db2.gz HQOAHKOUVCQMCR-AEJSXWLSSA-N -1 0 304.368 -0.363 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)C1(O)CCOCC1)C(=O)[O-] ZINC000736888980 600119417 /nfs/dbraw/zinc/11/94/17/600119417.db2.gz VUTDUODTQLNTFT-MWLCHTKSSA-N -1 0 317.338 -0.313 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cn1ncc2ccccc21 ZINC000739633969 600150944 /nfs/dbraw/zinc/15/09/44/600150944.db2.gz KJVMOSLVDWSGSV-GFCCVEGCSA-N -1 0 316.317 -0.162 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000739540064 600161143 /nfs/dbraw/zinc/16/11/43/600161143.db2.gz XZZCIZVOTUJTSC-INTQDDNPSA-N -1 0 323.301 -0.008 20 0 DBADRM C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CN2)C(=O)NCC(=O)[O-] ZINC000736692587 600164565 /nfs/dbraw/zinc/16/45/65/600164565.db2.gz WVGDSNZJIKCNLC-ZETCQYMHSA-N -1 0 321.289 -0.203 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cc1cn2ccccc2n1 ZINC000737605149 600170535 /nfs/dbraw/zinc/17/05/35/600170535.db2.gz KJFRQTHSZCBURC-UHFFFAOYSA-N -1 0 305.290 -0.037 20 0 DBADRM C[C@H](OC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)N1CCC(C(N)=O)CC1 ZINC000736684009 600177292 /nfs/dbraw/zinc/17/72/92/600177292.db2.gz KCKZBANPTZJNOU-SFGNSQDASA-N -1 0 312.322 -0.637 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCCCC(=O)[O-])C1 ZINC000737552341 600178554 /nfs/dbraw/zinc/17/85/54/600178554.db2.gz LFUOQGYCZXXFPO-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM CC(C)N1C(=O)C(=O)N(Cc2noc(CCC(=O)[O-])n2)C1=O ZINC000736475134 600183436 /nfs/dbraw/zinc/18/34/36/600183436.db2.gz RFFCZMAHXVIUNE-UHFFFAOYSA-N -1 0 310.266 -0.214 20 0 DBADRM CN1N=C(C(=O)OCc2noc(CCC(=O)[O-])n2)CCC1=O ZINC000737530308 600186816 /nfs/dbraw/zinc/18/68/16/600186816.db2.gz SKCOTNZCZSCRMK-UHFFFAOYSA-N -1 0 310.266 -0.262 20 0 DBADRM C[C@@H](CS(=O)(=O)CC(=O)N(C)Cc1cnn(C)c1)C(=O)[O-] ZINC000736613555 600198227 /nfs/dbraw/zinc/19/82/27/600198227.db2.gz GBAXMMCLWJHVQT-VIFPVBQESA-N -1 0 317.367 -0.486 20 0 DBADRM C[C@H](CS(=O)(=O)CC(=O)N(C)Cc1cnn(C)c1)C(=O)[O-] ZINC000736613554 600198272 /nfs/dbraw/zinc/19/82/72/600198272.db2.gz GBAXMMCLWJHVQT-SECBINFHSA-N -1 0 317.367 -0.486 20 0 DBADRM CC1(C)NC(=O)N(CCOC(=O)CCCNC(=O)[O-])C1=O ZINC000736736721 600198680 /nfs/dbraw/zinc/19/86/80/600198680.db2.gz CGUHWXNYZAAAEN-UHFFFAOYSA-N -1 0 301.299 -0.092 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCNC(=O)[O-])CC1 ZINC000736134832 600200788 /nfs/dbraw/zinc/20/07/88/600200788.db2.gz QQBIGZBLSKMKNQ-SECBINFHSA-N -1 0 315.326 -0.734 20 0 DBADRM C[C@H](OC(=O)CCNC(=O)[O-])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000736685900 600203427 /nfs/dbraw/zinc/20/34/27/600203427.db2.gz DZPIIRABYVDXCZ-DTWKUNHWSA-N -1 0 315.326 -0.700 20 0 DBADRM Nc1ncnc2c1ncn2CCCOC(=O)CCNC(=O)[O-] ZINC000739207799 600203770 /nfs/dbraw/zinc/20/37/70/600203770.db2.gz AUTGWHREOWTBQE-UHFFFAOYSA-N -1 0 308.298 -0.001 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCc1nc(N)nc(N(C)C)n1 ZINC000736384103 600210790 /nfs/dbraw/zinc/21/07/90/600210790.db2.gz CZRYTXKNEPGGHG-MRVPVSSYSA-N -1 0 312.330 -0.145 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCc1cc(=O)n(C)c(=O)n1C ZINC000736381806 600213365 /nfs/dbraw/zinc/21/33/65/600213365.db2.gz YHCGAPWAWYQZLD-SNVBAGLBSA-N -1 0 313.310 -0.581 20 0 DBADRM C[C@H](OC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)NCC(=O)[O-] ZINC000736689220 600216077 /nfs/dbraw/zinc/21/60/77/600216077.db2.gz JEOMIRDHEQJAOT-LURJTMIESA-N -1 0 319.291 -0.571 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-])C(=O)OC ZINC000736889108 600230925 /nfs/dbraw/zinc/23/09/25/600230925.db2.gz XBBNYPFDWLKQIH-MIZYBKAJSA-N -1 0 316.354 -0.790 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000737220756 600237487 /nfs/dbraw/zinc/23/74/87/600237487.db2.gz NXIMUDDYXKCGAA-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM CNC(=O)c1ccc(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)cn1 ZINC000737544770 600243012 /nfs/dbraw/zinc/24/30/12/600243012.db2.gz NNVJWSVSVBHYJD-SECBINFHSA-N -1 0 309.278 -0.813 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)nnn2C ZINC000737574263 600243035 /nfs/dbraw/zinc/24/30/35/600243035.db2.gz MYWVCXUINJWVEK-SECBINFHSA-N -1 0 306.278 -0.286 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N[C@H](CC(=O)[O-])C(=O)OC ZINC000736839418 600243418 /nfs/dbraw/zinc/24/34/18/600243418.db2.gz DEWSCYROCYWVIB-SFYZADRCSA-N -1 0 318.351 -0.570 20 0 DBADRM NC(=O)CN1C[C@@H](OC(=O)c2ccc(C(=O)[O-])cc2)CC1=O ZINC000739163379 600243457 /nfs/dbraw/zinc/24/34/57/600243457.db2.gz PZXVRQRXPVHBFE-JTQLQIEISA-N -1 0 306.274 -0.372 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H]1CSCN1C(C)=O)C(=O)[O-] ZINC000737597517 600245194 /nfs/dbraw/zinc/24/51/94/600245194.db2.gz KOBVQXHVRAPDPO-JGVFFNPUSA-N -1 0 304.324 -0.960 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H]1CSCN1C(C)=O)C(=O)[O-] ZINC000737597518 600245226 /nfs/dbraw/zinc/24/52/26/600245226.db2.gz KOBVQXHVRAPDPO-SFYZADRCSA-N -1 0 304.324 -0.960 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc(-n2ccnc2)nn1)C(=O)[O-] ZINC000737591233 600245230 /nfs/dbraw/zinc/24/52/30/600245230.db2.gz LGZCVOPUMFGUAR-SECBINFHSA-N -1 0 319.277 -0.592 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(C(N)=O)s1 ZINC000737569170 600246079 /nfs/dbraw/zinc/24/60/79/600246079.db2.gz YRAPKLSKCMDRNE-RXMQYKEDSA-N -1 0 300.292 -0.407 20 0 DBADRM CNC(=O)c1cccc(CN2C(=O)N[C@@H](CC(=O)[O-])C2=O)c1 ZINC000737550414 600247608 /nfs/dbraw/zinc/24/76/08/600247608.db2.gz HRTPTLHQQCXZBN-JTQLQIEISA-N -1 0 305.290 -0.059 20 0 DBADRM Cn1cc(C(=O)Nc2ncc(C(=O)[O-])s2)c(=O)n(C)c1=O ZINC000739027847 600249157 /nfs/dbraw/zinc/24/91/57/600249157.db2.gz SBBGCIAZPRMRQR-UHFFFAOYSA-N -1 0 310.291 -0.509 20 0 DBADRM Cn1cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000096746908 600249415 /nfs/dbraw/zinc/24/94/15/600249415.db2.gz QCYDRWRIUWNHKC-UHFFFAOYSA-N -1 0 317.301 -0.037 20 0 DBADRM C[C@H](CN(C(=O)c1cn(C)c(=O)n(C)c1=O)C1CC1)C(=O)[O-] ZINC000736570745 600250437 /nfs/dbraw/zinc/25/04/37/600250437.db2.gz BXYOKCHJIVOGAE-MRVPVSSYSA-N -1 0 309.322 -0.591 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCCn1ccccc1=O ZINC000737602686 600250514 /nfs/dbraw/zinc/25/05/14/600250514.db2.gz GPABZHRFOWJBCI-UHFFFAOYSA-N -1 0 310.306 -0.285 20 0 DBADRM Cn1cc(C(=O)N[C@H](C(=O)[O-])c2cccs2)c(=O)n(C)c1=O ZINC000739025817 600250706 /nfs/dbraw/zinc/25/07/06/600250706.db2.gz LLSUHQCDXFSBML-VIFPVBQESA-N -1 0 323.330 -0.299 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CCCCN2CCOCC2)CCO1 ZINC000738547668 600251458 /nfs/dbraw/zinc/25/14/58/600251458.db2.gz PVLWPQBRWQXADV-GFCCVEGCSA-N -1 0 300.355 -0.199 20 0 DBADRM C[S@@](=O)CCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000158376117 600259642 /nfs/dbraw/zinc/25/96/42/600259642.db2.gz JCGQVIRWKATOTQ-SFHVURJKSA-N -1 0 306.365 -0.177 20 0 DBADRM CCc1nc(CN2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)no1 ZINC000737278518 600260829 /nfs/dbraw/zinc/26/08/29/600260829.db2.gz BOAUHZIXERGBJT-UWVGGRQHSA-N -1 0 308.338 -0.003 20 0 DBADRM CC[S@@](=O)CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000132138153 600262509 /nfs/dbraw/zinc/26/25/09/600262509.db2.gz VNXHFIJERIUCTA-SFHVURJKSA-N -1 0 312.413 -0.614 20 0 DBADRM Cn1cc(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])cn1 ZINC000739025970 600263085 /nfs/dbraw/zinc/26/30/85/600263085.db2.gz HSIPQPBRZODXGK-UHFFFAOYSA-N -1 0 310.354 -0.792 20 0 DBADRM COC(=O)CN(CCN1CCOCC1)C(=O)CCC(=O)[O-] ZINC000737619854 600264741 /nfs/dbraw/zinc/26/47/41/600264741.db2.gz NUFQCNGVSWLSAF-UHFFFAOYSA-N -1 0 302.327 -0.815 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cc(-n2cccn2)ccn1 ZINC000739812986 600270756 /nfs/dbraw/zinc/27/07/56/600270756.db2.gz IQDUVLYPHCIGKS-UHFFFAOYSA-N -1 0 304.262 -0.375 20 0 DBADRM CN1CC(=O)N(CC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C1=O ZINC000405312838 600276727 /nfs/dbraw/zinc/27/67/27/600276727.db2.gz GPZHDIYYEKOOGC-SECBINFHSA-N -1 0 309.322 -0.406 20 0 DBADRM O=C([O-])CCc1nnc(NC(=O)N[C@H]2CCCNC2=O)s1 ZINC000739776160 600292306 /nfs/dbraw/zinc/29/23/06/600292306.db2.gz CZUCFICWADYHDF-LURJTMIESA-N -1 0 313.339 -0.045 20 0 DBADRM C[C@@H](NC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1)C(=O)N(C)C ZINC000736642352 600293794 /nfs/dbraw/zinc/29/37/94/600293794.db2.gz ZDBGPLISCHBLCE-GHMZBOCLSA-N -1 0 311.382 -0.234 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)N(C)c1nccs1 ZINC000737611576 600297851 /nfs/dbraw/zinc/29/78/51/600297851.db2.gz AWYHFUUFWWPDFY-UHFFFAOYSA-N -1 0 301.324 -0.335 20 0 DBADRM COC(=O)CN(CC(=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737613490 600297903 /nfs/dbraw/zinc/29/79/03/600297903.db2.gz PEHNTBHLSYLZBI-SSDOTTSWSA-N -1 0 312.244 -0.291 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737121696 600298821 /nfs/dbraw/zinc/29/88/21/600298821.db2.gz MNVCRWHAOOHEBI-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM O=C(CN1CCO[C@H](C(=O)[O-])C1)NCC(=O)c1cccs1 ZINC000738465554 600299071 /nfs/dbraw/zinc/29/90/71/600299071.db2.gz YGPIUGPHWKCNLC-JTQLQIEISA-N -1 0 312.347 -0.168 20 0 DBADRM C[C@@H](O)CN1CCN(Cc2noc(CCCC(=O)[O-])n2)CC1 ZINC000736677704 600303203 /nfs/dbraw/zinc/30/32/03/600303203.db2.gz OJRAIGRBRKZGPI-LLVKDONJSA-N -1 0 312.370 -0.025 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(CC(=O)NCC(=O)N1CCCC1)CC2 ZINC000739278559 600304830 /nfs/dbraw/zinc/30/48/30/600304830.db2.gz PXMMOWPAIDJIQG-LBPRGKRZSA-N -1 0 323.393 -0.088 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(CC(=O)NCC(=O)N1CCCC1)CC2 ZINC000739278558 600305248 /nfs/dbraw/zinc/30/52/48/600305248.db2.gz PXMMOWPAIDJIQG-GFCCVEGCSA-N -1 0 323.393 -0.088 20 0 DBADRM CC[C@H](C)NC(=O)CN(CCN1CCOCC1)CC(=O)[O-] ZINC000736888437 600316319 /nfs/dbraw/zinc/31/63/19/600316319.db2.gz XIAQKNPJQSRIDY-LBPRGKRZSA-N -1 0 301.387 -0.380 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736670633 600318094 /nfs/dbraw/zinc/31/80/94/600318094.db2.gz OARHWQIMGXBMRQ-DTWKUNHWSA-N -1 0 304.368 -0.363 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)n(C)n1 ZINC000737255083 600320001 /nfs/dbraw/zinc/32/00/01/600320001.db2.gz TUWXEDSULPJGBH-VIFPVBQESA-N -1 0 310.310 -0.767 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccccc1Cn1cncn1 ZINC000738591127 600333765 /nfs/dbraw/zinc/33/37/65/600333765.db2.gz SGYLIKBHVHDLJM-UHFFFAOYSA-N -1 0 317.305 -0.144 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccccc1-n1cncn1 ZINC000738588856 600334229 /nfs/dbraw/zinc/33/42/29/600334229.db2.gz QZIBVSNKQUSXFA-UHFFFAOYSA-N -1 0 303.278 -0.203 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCCS(=O)(=O)CC1)C(=O)[O-] ZINC000736882171 600334675 /nfs/dbraw/zinc/33/46/75/600334675.db2.gz GRLKWXWSSGABDG-JQWIXIFHSA-N -1 0 320.411 -0.278 20 0 DBADRM COCCN(CCOC)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000070197625 600337276 /nfs/dbraw/zinc/33/72/76/600337276.db2.gz MCCGDQNACAAACI-UHFFFAOYSA-N -1 0 321.355 -0.300 20 0 DBADRM NC(=O)COc1cccc(NC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000739161711 600337699 /nfs/dbraw/zinc/33/76/99/600337699.db2.gz REFSBRIQEIAZBK-UHFFFAOYSA-N -1 0 323.305 -0.530 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)NCCCC(=O)[O-])cc1 ZINC000737547309 600338412 /nfs/dbraw/zinc/33/84/12/600338412.db2.gz SYROZZGKRASFQD-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000737648818 600340370 /nfs/dbraw/zinc/34/03/70/600340370.db2.gz HIGPIMRAOXOFRP-LURJTMIESA-N -1 0 319.339 -0.154 20 0 DBADRM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000070446667 600342607 /nfs/dbraw/zinc/34/26/07/600342607.db2.gz ULQWJDPKCDXLPW-ZETCQYMHSA-N -1 0 316.339 -0.685 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000736587613 600343870 /nfs/dbraw/zinc/34/38/70/600343870.db2.gz YUMDECGCSUQCHO-QMMMGPOBSA-N -1 0 318.293 -0.562 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)C(=O)[O-] ZINC000736587913 600346607 /nfs/dbraw/zinc/34/66/07/600346607.db2.gz HOJVIFRZKDVWGK-ZCFIWIBFSA-N -1 0 311.269 -0.300 20 0 DBADRM CC(C)(O)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000736341307 600347521 /nfs/dbraw/zinc/34/75/21/600347521.db2.gz VEHRSHYMQDCJEV-LLVKDONJSA-N -1 0 322.317 -0.248 20 0 DBADRM COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000737733047 600348892 /nfs/dbraw/zinc/34/88/92/600348892.db2.gz MTBBXLDWQBTKOO-AWEZNQCLSA-N -1 0 310.306 -0.163 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CCC(=O)NC2=O)c1O ZINC000740303923 600364084 /nfs/dbraw/zinc/36/40/84/600364084.db2.gz OJXLZETZKKBORE-UHFFFAOYSA-N -1 0 307.262 -0.029 20 0 DBADRM Cc1ccc([C@H](CNC(=O)CN2CC(=O)NC2=O)C(=O)[O-])cc1 ZINC000738558870 600364513 /nfs/dbraw/zinc/36/45/13/600364513.db2.gz AYJUNEMEDRUINW-NSHDSACASA-N -1 0 319.317 -0.169 20 0 DBADRM Cc1ccc([C@@H](CNC(=O)CN2CC(=O)NC2=O)C(=O)[O-])cc1 ZINC000738558864 600364708 /nfs/dbraw/zinc/36/47/08/600364708.db2.gz AYJUNEMEDRUINW-LLVKDONJSA-N -1 0 319.317 -0.169 20 0 DBADRM O=C(COC(=O)[C@H]1CNC(=O)N1)Nc1cccc(C(=O)[O-])c1 ZINC000739321280 600369763 /nfs/dbraw/zinc/36/97/63/600369763.db2.gz OVKYVPXPCVOGRM-SECBINFHSA-N -1 0 307.262 -0.452 20 0 DBADRM Cc1ccn2ncc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])c2n1 ZINC000738789485 600413438 /nfs/dbraw/zinc/41/34/38/600413438.db2.gz JNPPUNGYAQOXIQ-SNVBAGLBSA-N -1 0 317.305 -0.547 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)N1CCCC1 ZINC000739792519 600415223 /nfs/dbraw/zinc/41/52/23/600415223.db2.gz VBFNZCMDFBSFJS-UHFFFAOYSA-N -1 0 321.399 -0.954 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NC(C)(C)CCC(=O)[O-])nn1 ZINC000262567297 600418378 /nfs/dbraw/zinc/41/83/78/600418378.db2.gz BRMPWZVKQMSJKG-UHFFFAOYSA-N -1 0 311.342 -0.261 20 0 DBADRM CCn1ccnc1CN1CCN(Cn2cnc(C(=O)[O-])n2)CC1 ZINC000737302782 600426556 /nfs/dbraw/zinc/42/65/56/600426556.db2.gz IWKMTIOXFNLCNW-UHFFFAOYSA-N -1 0 319.369 -0.032 20 0 DBADRM Cc1cnn(C[C@H]2CN(Cn3cnc(C(=O)[O-])n3)CCO2)c1 ZINC000738811159 600431403 /nfs/dbraw/zinc/43/14/03/600431403.db2.gz GYFBZKCFFVGWRE-LLVKDONJSA-N -1 0 306.326 -0.160 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCS(=O)(=O)[C@H](C)C1)C(=O)[O-] ZINC000736889088 600433420 /nfs/dbraw/zinc/43/34/20/600433420.db2.gz WVDFSTAOXRPSJB-HOSYDEDBSA-N -1 0 320.411 -0.279 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCS(=O)(=O)[C@@H](C)C1)C(=O)[O-] ZINC000736414560 600433441 /nfs/dbraw/zinc/43/34/41/600433441.db2.gz ZAAQNRUWPVMHMQ-WDEREUQCSA-N -1 0 320.411 -0.279 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCS(=O)(=O)[C@@H](C)C1)C(=O)[O-] ZINC000736889090 600433462 /nfs/dbraw/zinc/43/34/62/600433462.db2.gz WVDFSTAOXRPSJB-NHCYSSNCSA-N -1 0 320.411 -0.279 20 0 DBADRM CCN(C(=O)CN1CCC[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000035303099 600436081 /nfs/dbraw/zinc/43/60/81/600436081.db2.gz AGZMNIMFGXFCGL-GHMZBOCLSA-N -1 0 318.395 -0.429 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000738821270 600442489 /nfs/dbraw/zinc/44/24/89/600442489.db2.gz MBAYTNLKKGXADV-UHFFFAOYSA-N -1 0 324.381 -0.186 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cccnc1Cl ZINC000737619264 600444714 /nfs/dbraw/zinc/44/47/14/600444714.db2.gz GEEGSMGOKHWMDO-UHFFFAOYSA-N -1 0 322.726 -0.017 20 0 DBADRM Cc1ccn2ncc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])c2n1 ZINC000738792516 600452894 /nfs/dbraw/zinc/45/28/94/600452894.db2.gz LINAXKQRAVFRCS-QMMMGPOBSA-N -1 0 306.278 -0.216 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(CC(F)(F)C(F)F)CC1 ZINC000739809524 600454907 /nfs/dbraw/zinc/45/49/07/600454907.db2.gz XXYXMCILCMOFLA-UHFFFAOYSA-N -1 0 315.267 -0.295 20 0 DBADRM CS(=O)(=O)NCCNC(=S)NCc1ccc(C(=O)[O-])o1 ZINC000738164548 600467388 /nfs/dbraw/zinc/46/73/88/600467388.db2.gz BERGMGTUXFWPIV-UHFFFAOYSA-N -1 0 321.380 -0.509 20 0 DBADRM CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000737529927 600468749 /nfs/dbraw/zinc/46/87/49/600468749.db2.gz NXGHPKFJMCQRBJ-GFCCVEGCSA-N -1 0 321.333 -0.230 20 0 DBADRM CC(C)C[C@H](NC(=O)Cn1cnnc1[S@@](C)=O)C(=O)[O-] ZINC000736414827 600474861 /nfs/dbraw/zinc/47/48/61/600474861.db2.gz JSDGATVPWCXZJK-FFVOIRBGSA-N -1 0 302.356 -0.369 20 0 DBADRM COCCS(=O)(=O)CC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000737825882 600476037 /nfs/dbraw/zinc/47/60/37/600476037.db2.gz NWDUDEJEVNIXGK-UHFFFAOYSA-N -1 0 305.308 -0.345 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000037836332 600490870 /nfs/dbraw/zinc/49/08/70/600490870.db2.gz WOJKEMDFYGXHCV-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM COCCN(CC(=O)N(C)C)S(=O)(=O)CCCC(=O)[O-] ZINC000037837064 600493255 /nfs/dbraw/zinc/49/32/55/600493255.db2.gz WQKAKHUJUHBIDC-UHFFFAOYSA-N -1 0 310.372 -0.782 20 0 DBADRM CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000737514341 600509508 /nfs/dbraw/zinc/50/95/08/600509508.db2.gz GLFDWRZDWVGFSI-SNVBAGLBSA-N -1 0 305.290 -0.330 20 0 DBADRM CN1CC[C@@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1=O ZINC000737515590 600509992 /nfs/dbraw/zinc/50/99/92/600509992.db2.gz YNYVREYNOBKCKS-SECBINFHSA-N -1 0 323.280 -0.191 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@H]2CCN(C)C2=O)cccc1C(=O)[O-] ZINC000738303159 600510016 /nfs/dbraw/zinc/51/00/16/600510016.db2.gz UNCDICNGVBALRS-NSHDSACASA-N -1 0 319.317 -0.021 20 0 DBADRM CC(=O)NCC(=O)N1CCc2cc(C(=O)OCC(=O)[O-])ccc21 ZINC000736148213 600517963 /nfs/dbraw/zinc/51/79/63/600517963.db2.gz OAICPTBVNBFDFE-UHFFFAOYSA-N -1 0 320.301 -0.047 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccnc(-n2cccn2)c1 ZINC000737613128 600526683 /nfs/dbraw/zinc/52/66/83/600526683.db2.gz NFIXVSXADMVYEI-UHFFFAOYSA-N -1 0 318.289 -0.033 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000737604766 600526691 /nfs/dbraw/zinc/52/66/91/600526691.db2.gz PTMOJVDJUMYWIK-PBINXNQUSA-N -1 0 313.306 -0.686 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c(=O)n(C)c1=O ZINC000739027564 600531736 /nfs/dbraw/zinc/53/17/36/600531736.db2.gz PXSKIHVFAFNGTL-MLRMMBSGSA-N -1 0 323.349 -0.287 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000736839449 600532856 /nfs/dbraw/zinc/53/28/56/600532856.db2.gz DURCQGKQELHYBW-LURJTMIESA-N -1 0 313.339 -0.318 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N(C)CC(=O)NCc1cccs1 ZINC000736205913 600541181 /nfs/dbraw/zinc/54/11/81/600541181.db2.gz BJDAYECRHMXCPX-VIFPVBQESA-N -1 0 313.379 -0.115 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)NC2CCC(C(=O)[O-])CC2)C1=O ZINC000262037379 600556417 /nfs/dbraw/zinc/55/64/17/600556417.db2.gz KTIWNWLEKVXKBX-UHFFFAOYSA-N -1 0 311.294 -0.833 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC000737591223 600568340 /nfs/dbraw/zinc/56/83/40/600568340.db2.gz LBJOJRTZJINGRZ-LURJTMIESA-N -1 0 319.291 -0.571 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NCC(=O)NCC(F)(F)F)n1 ZINC000739913458 600570565 /nfs/dbraw/zinc/57/05/65/600570565.db2.gz XGTXGBQMWUWHPQ-UHFFFAOYSA-N -1 0 323.231 -0.232 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2CCC(CC(=O)[O-])CC2)C1=O ZINC000737505609 600573606 /nfs/dbraw/zinc/57/36/06/600573606.db2.gz BDSODDHOOVPYFL-UHFFFAOYSA-N -1 0 311.294 -0.880 20 0 DBADRM C[C@@H](CN(C(=O)CCn1cc[nH]c(=O)c1=O)C1CC1)C(=O)[O-] ZINC000736561250 600576498 /nfs/dbraw/zinc/57/64/98/600576498.db2.gz ACAZPPOOSGTBKC-VIFPVBQESA-N -1 0 309.322 -0.362 20 0 DBADRM Cn1cc(C(=O)N(CC(=O)[O-])c2ccccc2)c(=O)n(C)c1=O ZINC000739025799 600604462 /nfs/dbraw/zinc/60/44/62/600604462.db2.gz LJAWSLVMMZOXMB-UHFFFAOYSA-N -1 0 317.301 -0.185 20 0 DBADRM C[C@@H](CSCC(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000736618897 600605720 /nfs/dbraw/zinc/60/57/20/600605720.db2.gz RYGILBFRUKBPFR-JTQLQIEISA-N -1 0 318.395 -0.243 20 0 DBADRM Cn1cc([C@H]2[C@@H](C(=O)NCCC(=O)[O-])CCC(=O)N2C)cn1 ZINC000737506433 600614007 /nfs/dbraw/zinc/61/40/07/600614007.db2.gz BOVILJJDCYAEEJ-GWCFXTLKSA-N -1 0 308.338 -0.080 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)COc1ccc(C=O)cc1 ZINC000737606356 600631018 /nfs/dbraw/zinc/63/10/18/600631018.db2.gz YHZAYCBYJPPSRG-UHFFFAOYSA-N -1 0 309.274 -0.036 20 0 DBADRM C[C@H](NC(=O)Nc1nnc(CCCC(=O)[O-])s1)C(N)=O ZINC000736649905 600632245 /nfs/dbraw/zinc/63/22/45/600632245.db2.gz KHTPJYPUIZKHFP-YFKPBYRVSA-N -1 0 301.328 -0.059 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)CS(=O)(=O)NC(C)(C)C ZINC000737788503 600632365 /nfs/dbraw/zinc/63/23/65/600632365.db2.gz GUDOPFSPFVUWKB-UHFFFAOYSA-N -1 0 324.399 -0.346 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CN2CC(=O)NC2=O)c2ccccc2O1 ZINC000740306991 600639320 /nfs/dbraw/zinc/63/93/20/600639320.db2.gz KZTPKOSIUPGXJA-SNVBAGLBSA-N -1 0 319.273 -0.583 20 0 DBADRM C[C@H]([C@H](C)N(C)CCC(=O)N(C)CC(=O)[O-])S(C)(=O)=O ZINC000736223960 600642273 /nfs/dbraw/zinc/64/22/73/600642273.db2.gz MWSKAJUDWKGLOQ-VHSXEESVSA-N -1 0 308.400 -0.327 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)[C@@H](C)C1CC1 ZINC000737573031 600647210 /nfs/dbraw/zinc/64/72/10/600647210.db2.gz IIWWWYATCBZKGV-IONNQARKSA-N -1 0 308.356 -0.433 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)o1 ZINC000740175711 600651320 /nfs/dbraw/zinc/65/13/20/600651320.db2.gz WCFSRKQRQHUUQB-ZETCQYMHSA-N -1 0 312.307 -0.137 20 0 DBADRM CC(=O)NC1(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])CCCC1 ZINC000825863488 600665256 /nfs/dbraw/zinc/66/52/56/600665256.db2.gz LLVOWOWHHWMLKP-QMMMGPOBSA-N -1 0 300.311 -0.432 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)CN1CCSC1=S ZINC000739792536 600671130 /nfs/dbraw/zinc/67/11/30/600671130.db2.gz VJVWZSDNPVOTGS-UHFFFAOYSA-N -1 0 319.452 -0.004 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)c1nnn(C)c1C)C(=O)[O-] ZINC000828730466 600688914 /nfs/dbraw/zinc/68/89/14/600688914.db2.gz VLXFHDGISQEWMG-XCBNKYQSSA-N -1 0 312.326 -0.104 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)Nc2cccn(C)c2=O)c1C(=O)[O-] ZINC000738338274 600693725 /nfs/dbraw/zinc/69/37/25/600693725.db2.gz QQJPYNYJSOXVLP-UHFFFAOYSA-N -1 0 312.307 -0.084 20 0 DBADRM CC(C)CCn1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])nn1 ZINC000736436968 600695112 /nfs/dbraw/zinc/69/51/12/600695112.db2.gz ZWKHMKIKSQSNHF-NSHDSACASA-N -1 0 323.353 -0.261 20 0 DBADRM CNC(=O)C1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000036133685 600697931 /nfs/dbraw/zinc/69/79/31/600697931.db2.gz DJXHGWMKAYVJQF-UHFFFAOYSA-N -1 0 315.351 -0.140 20 0 DBADRM COC[C@](C)(O)C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000831637870 600702257 /nfs/dbraw/zinc/70/22/57/600702257.db2.gz NFAKVMCBNZVINQ-ZDUSSCGKSA-N -1 0 317.338 -0.169 20 0 DBADRM CCC[C@@](C)(NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000063142497 600702492 /nfs/dbraw/zinc/70/24/92/600702492.db2.gz NTCCYAKUJLUFKC-SECBINFHSA-N -1 0 301.386 -0.406 20 0 DBADRM C[C@@H](Cn1cccn1)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000037000282 600707552 /nfs/dbraw/zinc/70/75/52/600707552.db2.gz DXCCUTIATDANTJ-VIFPVBQESA-N -1 0 313.339 -0.469 20 0 DBADRM CN(Cc1nccn1C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000037838455 600709483 /nfs/dbraw/zinc/70/94/83/600709483.db2.gz AFCOXWQYMGYOHS-UHFFFAOYSA-N -1 0 313.339 -0.478 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCN2CCCCC2)cn1 ZINC000049575166 600710195 /nfs/dbraw/zinc/71/01/95/600710195.db2.gz UDJHGWRPJRPZMX-UHFFFAOYSA-N -1 0 316.383 -0.268 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCc2nccs2)cn1 ZINC000041013052 600712610 /nfs/dbraw/zinc/71/26/10/600712610.db2.gz DRLRFERBEUKUDU-UHFFFAOYSA-N -1 0 302.337 -0.097 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c[nH]1 ZINC000261700706 600716293 /nfs/dbraw/zinc/71/62/93/600716293.db2.gz OAPLMLLJKHABMP-ZETCQYMHSA-N -1 0 302.308 -0.104 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000261612863 600716521 /nfs/dbraw/zinc/71/65/21/600716521.db2.gz AJYFVFNXLWIHAL-MRVPVSSYSA-N -1 0 317.323 -0.849 20 0 DBADRM CN1CCN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1=O ZINC000229772837 600723858 /nfs/dbraw/zinc/72/38/58/600723858.db2.gz GVZXDKALNFFMSY-UHFFFAOYSA-N -1 0 316.310 -0.013 20 0 DBADRM COC(=O)/C(C)=C\Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000831053107 600728942 /nfs/dbraw/zinc/72/89/42/600728942.db2.gz KXKAIAVRCTYIQI-BAQGIRSFSA-N -1 0 306.278 -0.203 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC(=O)OCC2CC2)c[nH]1 ZINC000833109983 600734258 /nfs/dbraw/zinc/73/42/58/600734258.db2.gz HJELWHUXPKCJGF-UHFFFAOYSA-N -1 0 302.308 -0.056 20 0 DBADRM CN(CCN1CCOCC1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000830785169 600736437 /nfs/dbraw/zinc/73/64/37/600736437.db2.gz JNPQKXALQRPLCS-UHFFFAOYSA-N -1 0 317.367 -0.334 20 0 DBADRM COC(=O)CC(C)(C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831124022 600758229 /nfs/dbraw/zinc/75/82/29/600758229.db2.gz KQJTYNSEABOBQA-UHFFFAOYSA-N -1 0 319.339 -0.412 20 0 DBADRM COCCOC[C@@H](C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831763344 600770430 /nfs/dbraw/zinc/77/04/30/600770430.db2.gz QARXXXMMVNSROG-SECBINFHSA-N -1 0 321.355 -0.703 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCNC(=O)CC2)cc1C(=O)[O-] ZINC000062986983 600779261 /nfs/dbraw/zinc/77/92/61/600779261.db2.gz ZDMRDMBSKMFZSC-UHFFFAOYSA-N -1 0 301.324 -0.766 20 0 DBADRM CN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000830923657 600785707 /nfs/dbraw/zinc/78/57/07/600785707.db2.gz OSEGEXVPUNIUFY-SECBINFHSA-N -1 0 315.351 -0.426 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)NC(C)(C)CC(=O)[O-] ZINC000736152225 600789575 /nfs/dbraw/zinc/78/95/75/600789575.db2.gz IYKRMVZYPQLNGN-UHFFFAOYSA-N -1 0 301.343 -0.612 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)CCCC(=O)[O-])CC1=O ZINC000828200842 600796588 /nfs/dbraw/zinc/79/65/88/600796588.db2.gz JKWHPMNBZFOUSW-KXUCPTDWSA-N -1 0 304.368 -0.220 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000736360769 600802634 /nfs/dbraw/zinc/80/26/34/600802634.db2.gz BCIAZIYDVMQEEA-WSVYEEACSA-N -1 0 319.427 -0.199 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)OCC(=O)[O-])C(=O)C1 ZINC000736278459 600806789 /nfs/dbraw/zinc/80/67/89/600806789.db2.gz JOWFKQRMEHSKAH-UHFFFAOYSA-N -1 0 316.310 -0.307 20 0 DBADRM CCO[C@H](C)c1noc(CN(C)CC(=O)NCC(=O)[O-])n1 ZINC000829908138 600839279 /nfs/dbraw/zinc/83/92/79/600839279.db2.gz SKEKIWWVTHFVBK-MRVPVSSYSA-N -1 0 300.315 -0.200 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN(CC(=O)[O-])C1CCOCC1 ZINC000829847250 600853343 /nfs/dbraw/zinc/85/33/43/600853343.db2.gz CGEFQDVEGHVLNH-UHFFFAOYSA-N -1 0 316.354 -0.427 20 0 DBADRM NC(=O)CN1CCC(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000320770597 600875777 /nfs/dbraw/zinc/87/57/77/600875777.db2.gz YHZZVENOBHJLGU-GHMZBOCLSA-N -1 0 311.382 -0.057 20 0 DBADRM NC(=O)CN1CCC(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000320770600 600875914 /nfs/dbraw/zinc/87/59/14/600875914.db2.gz YHZZVENOBHJLGU-MNOVXSKESA-N -1 0 311.382 -0.057 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000231024217 600882806 /nfs/dbraw/zinc/88/28/06/600882806.db2.gz MBOKFAKJEJBOPR-NXEZZACHSA-N -1 0 306.384 -0.067 20 0 DBADRM CC(C)C[C@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)[O-] ZINC000736404663 600916434 /nfs/dbraw/zinc/91/64/34/600916434.db2.gz OOGYDHHJTGUUHL-SNVBAGLBSA-N -1 0 311.338 -0.210 20 0 DBADRM CN1CCN(CC(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)CC1 ZINC000830951369 600954772 /nfs/dbraw/zinc/95/47/72/600954772.db2.gz YXTHYXSAYLUFLV-ZDUSSCGKSA-N -1 0 313.398 -0.284 20 0 DBADRM O=C([O-])CCN(C(=O)CN1CC(=O)NC1=O)C1CCOCC1 ZINC000833231185 600965781 /nfs/dbraw/zinc/96/57/81/600965781.db2.gz DFURTYFVIDXDEM-UHFFFAOYSA-N -1 0 313.310 -0.980 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCO[C@H](COC)C1)C(=O)[O-] ZINC000736887956 600968983 /nfs/dbraw/zinc/96/89/83/600968983.db2.gz SYAYVJPTDTVBDX-GMXVVIOVSA-N -1 0 302.371 -0.051 20 0 DBADRM C[C@H](c1cccnc1)N1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000736724686 600978120 /nfs/dbraw/zinc/97/81/20/600978120.db2.gz NUTYFNXVBGYLTJ-GFCCVEGCSA-N -1 0 306.366 -0.039 20 0 DBADRM CNC(=O)NC(=O)CCn1nnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000737542908 600990063 /nfs/dbraw/zinc/99/00/63/600990063.db2.gz LCQSHCSRDOJKTR-UHFFFAOYSA-N -1 0 318.293 -0.116 20 0 DBADRM CC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000088769607 600993921 /nfs/dbraw/zinc/99/39/21/600993921.db2.gz WLCTZKHDBRVPSK-SNVBAGLBSA-N -1 0 307.372 -0.762 20 0 DBADRM C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)NC(C)(C)C ZINC000228926718 600994187 /nfs/dbraw/zinc/99/41/87/600994187.db2.gz RCINJRZDRMJNLJ-MRVPVSSYSA-N -1 0 309.388 -0.470 20 0 DBADRM CC(C)(C)C(=O)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736232291 601018777 /nfs/dbraw/zinc/01/87/77/601018777.db2.gz NVPOZFLXEMPKLS-UHFFFAOYSA-N -1 0 300.355 -0.153 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000827576566 601063981 /nfs/dbraw/zinc/06/39/81/601063981.db2.gz YYAFOCXKLKRSIK-MRVPVSSYSA-N -1 0 318.355 -0.136 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000830125271 601065098 /nfs/dbraw/zinc/06/50/98/601065098.db2.gz ACLDQWRQBZKHHK-MRVPVSSYSA-N -1 0 318.355 -0.088 20 0 DBADRM COCC[C@](C)(O)CNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000831676108 601067459 /nfs/dbraw/zinc/06/74/59/601067459.db2.gz IQGCLEMPPZEBQS-LBPRGKRZSA-N -1 0 300.315 -0.123 20 0 DBADRM O=C(CC[C@H]1NC(=O)NC1=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000738457134 601080909 /nfs/dbraw/zinc/08/09/09/601080909.db2.gz LKYBHPQZVOENME-WDEREUQCSA-N -1 0 319.317 -0.041 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000827355090 601086168 /nfs/dbraw/zinc/08/61/68/601086168.db2.gz IJZVCLPQTGCYTJ-QWRGUYRKSA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC000827354725 601094985 /nfs/dbraw/zinc/09/49/85/601094985.db2.gz GXYPMLFEAZLVMR-UWVGGRQHSA-N -1 0 306.384 -0.573 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)NCCC(=O)[O-])n1 ZINC000818638746 601098404 /nfs/dbraw/zinc/09/84/04/601098404.db2.gz CALDZYSQYMYRLL-UHFFFAOYSA-N -1 0 304.328 -0.476 20 0 DBADRM CC(C)[C@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000826717870 601099056 /nfs/dbraw/zinc/09/90/56/601099056.db2.gz WSAJDTXULWPLLP-VIFPVBQESA-N -1 0 308.356 -0.446 20 0 DBADRM Cc1nn2cccnc2c1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000833021761 601113391 /nfs/dbraw/zinc/11/33/91/601113391.db2.gz RXCLTOSPBXYEML-QMMMGPOBSA-N -1 0 306.278 -0.216 20 0 DBADRM NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n[nH]1 ZINC000739176741 601118209 /nfs/dbraw/zinc/11/82/09/601118209.db2.gz GOHFXGOIKCKAOF-HLTSFMKQSA-N -1 0 306.322 -0.065 20 0 DBADRM NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n[nH]1 ZINC000739176745 601118284 /nfs/dbraw/zinc/11/82/84/601118284.db2.gz GOHFXGOIKCKAOF-HRDYMLBCSA-N -1 0 306.322 -0.065 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000736208785 601118815 /nfs/dbraw/zinc/11/88/15/601118815.db2.gz NVSMBEVHDFWJRJ-RKDXNWHRSA-N -1 0 323.353 -0.723 20 0 DBADRM CN1CCO[C@H](C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000737528919 601126159 /nfs/dbraw/zinc/12/61/59/601126159.db2.gz DQBORSLVWPTRRZ-LBPRGKRZSA-N -1 0 321.333 -0.230 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)Cc1ccccc1 ZINC000071240406 601137578 /nfs/dbraw/zinc/13/75/78/601137578.db2.gz SXPOKTFDUCUPPT-LLVKDONJSA-N -1 0 312.347 -0.209 20 0 DBADRM O=C([O-])c1ccsc1N1CC[C@H](N2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000833336997 601155767 /nfs/dbraw/zinc/15/57/67/601155767.db2.gz XSAADDOIUAMXGN-LPEHRKFASA-N -1 0 312.347 -0.411 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NCCOCCO)cc1C(=O)[O-] ZINC000832938583 601167220 /nfs/dbraw/zinc/16/72/20/601167220.db2.gz NDKLMNXTSZYEKH-UHFFFAOYSA-N -1 0 310.306 -0.243 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)n1 ZINC000833274126 601184991 /nfs/dbraw/zinc/18/49/91/601184991.db2.gz QZNDJBIFTIDTCU-MRVPVSSYSA-N -1 0 318.293 -0.318 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCN(c3ccccn3)CC2)nn1 ZINC000390095069 601194036 /nfs/dbraw/zinc/19/40/36/601194036.db2.gz NUOFCFQFYULXCB-UHFFFAOYSA-N -1 0 316.321 -0.280 20 0 DBADRM CN(CCCNC(=O)Cn1cc(C(=O)[O-])nn1)CC(F)(F)F ZINC000830772737 601196367 /nfs/dbraw/zinc/19/63/67/601196367.db2.gz MULPSVKKLOQJNI-UHFFFAOYSA-N -1 0 323.275 -0.023 20 0 DBADRM Cn1ncc2c1CCC[C@@H]2NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833063462 601196907 /nfs/dbraw/zinc/19/69/07/601196907.db2.gz YEYWPGJMJZVTRB-VIFPVBQESA-N -1 0 304.310 -0.096 20 0 DBADRM CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000826727393 601198515 /nfs/dbraw/zinc/19/85/15/601198515.db2.gz NXHNGAAGFYISPB-NSHDSACASA-N -1 0 309.326 -0.044 20 0 DBADRM CCCC(=O)N[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000829177539 601199013 /nfs/dbraw/zinc/19/90/13/601199013.db2.gz YCXVGFDWFFGVAN-JTQLQIEISA-N -1 0 323.353 -0.116 20 0 DBADRM NC(=O)CN(Cc1ccccc1)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833082444 601200604 /nfs/dbraw/zinc/20/06/04/601200604.db2.gz RULVBZHSJRXQKZ-UHFFFAOYSA-N -1 0 317.305 -0.510 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)c2ccc(F)cc2C1=O ZINC000831170320 601205790 /nfs/dbraw/zinc/20/57/90/601205790.db2.gz KEZBYCKPSHROHF-UHFFFAOYSA-N -1 0 324.264 -0.061 20 0 DBADRM O=C([O-])/C=C\c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000207501719 601205986 /nfs/dbraw/zinc/20/59/86/601205986.db2.gz QKUMVCDMOJDCKY-UTCJRWHESA-N -1 0 310.331 -0.095 20 0 DBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)NCC(=O)N(C)C ZINC000831934699 601211629 /nfs/dbraw/zinc/21/16/29/601211629.db2.gz UHXNTVIFQDKWGT-UHFFFAOYSA-N -1 0 322.364 -0.179 20 0 DBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)NCCNC(C)=O ZINC000831939889 601211654 /nfs/dbraw/zinc/21/16/54/601211654.db2.gz XJHKEZAGIJGCNW-UHFFFAOYSA-N -1 0 322.364 -0.131 20 0 DBADRM Cc1oc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)cc1C(=O)[O-] ZINC000833028008 601219201 /nfs/dbraw/zinc/21/92/01/601219201.db2.gz FTVNQSFCLFCUOP-QMMMGPOBSA-N -1 0 318.307 -0.839 20 0 DBADRM Cc1oc(S(=O)(=O)N[C@@H]2CCCNC2=O)cc1C(=O)[O-] ZINC000833028930 601219563 /nfs/dbraw/zinc/21/95/63/601219563.db2.gz UFIYDIRNJYNUJN-MRVPVSSYSA-N -1 0 302.308 -0.157 20 0 DBADRM CC(C)(C(N)=O)N1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000826126789 601225458 /nfs/dbraw/zinc/22/54/58/601225458.db2.gz JHBHCTWHOPSOEL-UHFFFAOYSA-N -1 0 321.399 -0.938 20 0 DBADRM CNC(=O)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000037224909 601228656 /nfs/dbraw/zinc/22/86/56/601228656.db2.gz BUUQLUQXKXCQTL-UHFFFAOYSA-N -1 0 308.262 -0.313 20 0 DBADRM CNC(=O)[C@H]1CCCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000088769497 601254219 /nfs/dbraw/zinc/25/42/19/601254219.db2.gz ZEKSKAUQYOPOLK-SECBINFHSA-N -1 0 307.372 -0.762 20 0 DBADRM CC(C)CN1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000088769747 601253074 /nfs/dbraw/zinc/25/30/74/601253074.db2.gz JEVZAZLUNOUBBI-UHFFFAOYSA-N -1 0 307.416 -0.089 20 0 DBADRM CN(C)c1ncccc1CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000830651574 601255096 /nfs/dbraw/zinc/25/50/96/601255096.db2.gz SWYPHIYGDPHADL-UHFFFAOYSA-N -1 0 316.383 -0.112 20 0 DBADRM CCN(CC)C(=O)CCCNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000829648224 601255105 /nfs/dbraw/zinc/25/51/05/601255105.db2.gz GYFJGJRLAZLBCA-UHFFFAOYSA-N -1 0 323.415 -0.124 20 0 DBADRM CCn1cncc1S(=O)(=O)N(CC(=O)[O-])CC(=O)OC ZINC000830429671 601256202 /nfs/dbraw/zinc/25/62/02/601256202.db2.gz IZVMSCYSRJLJBO-UHFFFAOYSA-N -1 0 305.312 -0.849 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCNc1cnccn1 ZINC000830747324 601257243 /nfs/dbraw/zinc/25/72/43/601257243.db2.gz BTFYFJMXUOEVNN-UHFFFAOYSA-N -1 0 303.344 -0.871 20 0 DBADRM CCCOC(=O)CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000829523385 601257443 /nfs/dbraw/zinc/25/74/43/601257443.db2.gz VJJDGHKBUPBPHC-UHFFFAOYSA-N -1 0 322.383 -0.039 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)[C@H]2CCOC2)CC1 ZINC000827384929 601257762 /nfs/dbraw/zinc/25/77/62/601257762.db2.gz AHLUWBYHDCDBFQ-QWRGUYRKSA-N -1 0 306.384 -0.414 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000830735124 601258630 /nfs/dbraw/zinc/25/86/30/601258630.db2.gz LKHXNIZTDDDERC-JTQLQIEISA-N -1 0 322.383 -0.277 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000827386817 601259304 /nfs/dbraw/zinc/25/93/04/601259304.db2.gz YDNKWGPGUNUNOW-JTQLQIEISA-N -1 0 317.367 -0.015 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000830734752 601259649 /nfs/dbraw/zinc/25/96/49/601259649.db2.gz IEOZMQLCPKBYCL-SNVBAGLBSA-N -1 0 321.399 -0.385 20 0 DBADRM Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000833006121 601259901 /nfs/dbraw/zinc/25/99/01/601259901.db2.gz BQSHEPYHYRQMIA-VIFPVBQESA-N -1 0 317.371 -0.338 20 0 DBADRM C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@H](C)N1CCOCC1 ZINC000827747344 601259913 /nfs/dbraw/zinc/25/99/13/601259913.db2.gz MCUJNABZCRDNBV-MNOVXSKESA-N -1 0 323.415 -0.664 20 0 DBADRM CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000232280426 601260391 /nfs/dbraw/zinc/26/03/91/601260391.db2.gz CGTUZHQVEWYULR-VIFPVBQESA-N -1 0 307.372 -0.904 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@H]1Cn1cncn1 ZINC000830735306 601261593 /nfs/dbraw/zinc/26/15/93/601261593.db2.gz OEAAHXMMHKOQQN-JTQLQIEISA-N -1 0 317.371 -0.606 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000830742575 601262761 /nfs/dbraw/zinc/26/27/61/601262761.db2.gz GFXHLOHCCZKUDS-RKDXNWHRSA-N -1 0 307.372 -0.729 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000826983838 601263559 /nfs/dbraw/zinc/26/35/59/601263559.db2.gz FOBDZOPUQFGAEQ-SECBINFHSA-N -1 0 310.372 -0.185 20 0 DBADRM CC(C)OC(=O)[C@@H](C)CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000826983839 601263711 /nfs/dbraw/zinc/26/37/11/601263711.db2.gz FOBDZOPUQFGAEQ-VIFPVBQESA-N -1 0 310.372 -0.185 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCc2cn3ccccc3n2)nn1 ZINC000833120796 601272850 /nfs/dbraw/zinc/27/28/50/601272850.db2.gz FYAWOSFHZKQZFS-UHFFFAOYSA-N -1 0 300.278 -0.060 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@@H](C(N)=O)c1ccccc1)C(=O)[O-] ZINC000827545447 601273554 /nfs/dbraw/zinc/27/35/54/601273554.db2.gz AGPJVZSXRBSDIR-WCBMZHEXSA-N -1 0 300.336 -0.147 20 0 DBADRM Cc1cc(NC(=O)CN(C)S(=O)(=O)C[C@@H](C)C(=O)[O-])no1 ZINC000832893779 601275524 /nfs/dbraw/zinc/27/55/24/601275524.db2.gz UGLLEPJURDWQNX-SSDOTTSWSA-N -1 0 319.339 -0.096 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H]2C(=O)NC2CC2)nn1 ZINC000833339226 601277055 /nfs/dbraw/zinc/27/70/55/601277055.db2.gz BRVYXNIAXWYECB-JTQLQIEISA-N -1 0 307.310 -0.754 20 0 DBADRM CNC(=O)[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccccc1 ZINC000830974976 601277151 /nfs/dbraw/zinc/27/71/51/601277151.db2.gz HOGHUQWACVKGFE-LBPRGKRZSA-N -1 0 317.305 -0.420 20 0 DBADRM C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)N1CCCCC1 ZINC000388776051 601277717 /nfs/dbraw/zinc/27/77/17/601277717.db2.gz MHCOODYXUSQTSF-SECBINFHSA-N -1 0 309.326 -0.507 20 0 DBADRM COC(=O)C1(NC(=O)Cn2cc(C(=O)[O-])nn2)CCCCC1 ZINC000831094651 601277902 /nfs/dbraw/zinc/27/79/02/601277902.db2.gz SVSCJAAZGUADBR-UHFFFAOYSA-N -1 0 310.310 -0.032 20 0 DBADRM CCOC(=O)[C@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000829832739 601279444 /nfs/dbraw/zinc/27/94/44/601279444.db2.gz PRUCJFVUGNDBHK-SNVBAGLBSA-N -1 0 310.310 -0.080 20 0 DBADRM NC(=O)NC[C@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833085898 601280603 /nfs/dbraw/zinc/28/06/03/601280603.db2.gz TYCKHVXVKBCUQY-MRVPVSSYSA-N -1 0 310.314 -0.974 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000829847920 601280936 /nfs/dbraw/zinc/28/09/36/601280936.db2.gz RIWLZWVLYGIXPV-UHFFFAOYSA-N -1 0 309.278 -0.730 20 0 DBADRM NC(=O)CC[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000833082213 601281249 /nfs/dbraw/zinc/28/12/49/601281249.db2.gz NZXKODQVWUYTKA-SECBINFHSA-N -1 0 309.326 -0.520 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCN2c2ncccn2)CCO1 ZINC000387019977 601281674 /nfs/dbraw/zinc/28/16/74/601281674.db2.gz KOIDPJIZRIHNNI-MNOVXSKESA-N -1 0 306.322 -0.243 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)c1ccnc(C(=O)[O-])c1 ZINC000224729284 601285367 /nfs/dbraw/zinc/28/53/67/601285367.db2.gz YXWTUQWTLMTVDN-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM CC(C)[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)N1CCCC1 ZINC000827080151 601285857 /nfs/dbraw/zinc/28/58/57/601285857.db2.gz YZXOOEBZCARDEQ-LBPRGKRZSA-N -1 0 323.353 -0.261 20 0 DBADRM CC(C)OC(=O)[C@@H]1CCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000826990605 601288155 /nfs/dbraw/zinc/28/81/55/601288155.db2.gz WARRHJXZFKTGKH-JTQLQIEISA-N -1 0 310.310 -0.081 20 0 DBADRM C[C@@](NC(=O)Cn1cnc2c1ncnc2N)(C(=O)[O-])C1CC1 ZINC000827645894 601288197 /nfs/dbraw/zinc/28/81/97/601288197.db2.gz MJZTXDAGKDJLGE-ZDUSSCGKSA-N -1 0 304.310 -0.222 20 0 DBADRM C[C@@H](CNC(=O)Cn1cc(C(=O)[O-])nn1)CC1(C)OCCO1 ZINC000827470160 601288721 /nfs/dbraw/zinc/28/87/21/601288721.db2.gz PNXVXXXJGKLNKP-SECBINFHSA-N -1 0 312.326 -0.118 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000828488022 601289460 /nfs/dbraw/zinc/28/94/60/601289460.db2.gz UCBZPAFYXNYHEE-KATARQTJSA-N -1 0 304.368 -0.507 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H]2CN2CCOCC2)nn1 ZINC000833339680 601290797 /nfs/dbraw/zinc/29/07/97/601290797.db2.gz IPWPTPPCQYDNSF-NSHDSACASA-N -1 0 323.353 -0.701 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H]2CN2CCOCC2)nn1 ZINC000833339678 601291094 /nfs/dbraw/zinc/29/10/94/601291094.db2.gz IPWPTPPCQYDNSF-LLVKDONJSA-N -1 0 323.353 -0.701 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@@](C)(COC)CC(=O)[O-])CC1=O ZINC000831740527 601294982 /nfs/dbraw/zinc/29/49/82/601294982.db2.gz HBTPFOWFHUMWDM-IINYFYTJSA-N -1 0 316.354 -0.523 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)CCSCC(=O)[O-] ZINC000830706861 601295052 /nfs/dbraw/zinc/29/50/52/601295052.db2.gz VZOHCQWTJZSZKE-LLVKDONJSA-N -1 0 320.411 -0.654 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CS(=O)(=O)NC(C)(C)C ZINC000831553860 601300017 /nfs/dbraw/zinc/30/00/17/601300017.db2.gz DLQOZJSUAHHUJW-LBPRGKRZSA-N -1 0 324.399 -0.300 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)Cn1cnc2c1ncnc2N ZINC000831554107 601300203 /nfs/dbraw/zinc/30/02/03/601300203.db2.gz XORNVTSXJPKWMJ-CYBMUJFWSA-N -1 0 322.325 -0.596 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000831549363 601300409 /nfs/dbraw/zinc/30/04/09/601300409.db2.gz XAMAXLHIJGLSFB-CYBMUJFWSA-N -1 0 315.326 -0.687 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CSc1nncn1C ZINC000831553834 601303490 /nfs/dbraw/zinc/30/34/90/601303490.db2.gz BFUPXZWYOQFFKI-NSHDSACASA-N -1 0 302.356 -0.097 20 0 DBADRM CNS(=O)(=O)CC(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000831024047 601308134 /nfs/dbraw/zinc/30/81/34/601308134.db2.gz BNABRWMWQPHYOA-UHFFFAOYSA-N -1 0 300.336 -0.351 20 0 DBADRM CCC(CC)(CC(=O)[O-])NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC000828784620 601309389 /nfs/dbraw/zinc/30/93/89/601309389.db2.gz FLEDJFBMQFYKME-VIFPVBQESA-N -1 0 301.343 -0.484 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NC[C@@]2(O)CCSC2)n1 ZINC000833276556 601312310 /nfs/dbraw/zinc/31/23/10/601312310.db2.gz SYVIZUMGERIZCG-NSHDSACASA-N -1 0 300.340 -0.043 20 0 DBADRM CCN1CCO[C@H](C(=O)NC2(CC(=O)[O-])CCOCC2)C1 ZINC000829780472 601327064 /nfs/dbraw/zinc/32/70/64/601327064.db2.gz HVUSAMUHWBKTLN-NSHDSACASA-N -1 0 300.355 -0.153 20 0 DBADRM CNS(=O)(=O)CC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000831025537 601342094 /nfs/dbraw/zinc/34/20/94/601342094.db2.gz RRBFKUGWVWRSTE-LLVKDONJSA-N -1 0 314.363 -0.171 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)cccc1C(=O)[O-] ZINC000832855731 601350230 /nfs/dbraw/zinc/35/02/30/601350230.db2.gz RCFQAJYEIZFATB-SECBINFHSA-N -1 0 319.317 -0.021 20 0 DBADRM CN(C)c1ncc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)n1C ZINC000818390965 601361006 /nfs/dbraw/zinc/36/10/06/601361006.db2.gz QTSMBMHLHLILSK-SNVBAGLBSA-N -1 0 311.342 -0.519 20 0 DBADRM C[C@@H](CCO)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000827417474 601364636 /nfs/dbraw/zinc/36/46/36/601364636.db2.gz JTTAEUWMKQTONP-JOYOIKCWSA-N -1 0 322.317 -0.248 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NCCN2CCOCC2)CCO1 ZINC000091295554 601366065 /nfs/dbraw/zinc/36/60/65/601366065.db2.gz UAXHTBOMQAJLBU-NSHDSACASA-N -1 0 301.343 -0.796 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)N[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000091295428 601366260 /nfs/dbraw/zinc/36/62/60/601366260.db2.gz AIBAUEDDTCHWJL-IUCAKERBSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCCCN2CCCC2=O)CCO1 ZINC000833217106 601366677 /nfs/dbraw/zinc/36/66/77/601366677.db2.gz GGLISDVETOBLMA-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=S)NCCN2CCOCC2)C1 ZINC000833174153 601367824 /nfs/dbraw/zinc/36/78/24/601367824.db2.gz BODJSPXYMGOFSQ-LBPRGKRZSA-N -1 0 305.375 -0.308 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CCO[C@H](CC(=O)[O-])C2)C1=O ZINC000831660746 601374900 /nfs/dbraw/zinc/37/49/00/601374900.db2.gz QOLPMVWSQJFPHT-RNCFNFMXSA-N -1 0 315.326 -0.924 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=S)NCCCC(=O)[O-] ZINC000831024582 601378622 /nfs/dbraw/zinc/37/86/22/601378622.db2.gz HCKXMFJSTKVIBQ-VIFPVBQESA-N -1 0 323.440 -0.261 20 0 DBADRM CN(CCN1CCCS1(=O)=O)c1ccc(C(=O)[O-])nn1 ZINC000830781233 601379208 /nfs/dbraw/zinc/37/92/08/601379208.db2.gz QQWOGOOFFGLCKE-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM O=C([O-])CCCNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000819419240 601389021 /nfs/dbraw/zinc/38/90/21/601389021.db2.gz UWNVGHDCZBCDFX-NSHDSACASA-N -1 0 313.335 -0.303 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000829905417 601389868 /nfs/dbraw/zinc/38/98/68/601389868.db2.gz VEJVFRPNGZEARS-NSHDSACASA-N -1 0 310.347 -0.159 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)c[nH]1 ZINC000831338303 601390718 /nfs/dbraw/zinc/39/07/18/601390718.db2.gz YLZXEIRYGOPVNJ-NSHDSACASA-N -1 0 320.298 -0.011 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000831155065 601391375 /nfs/dbraw/zinc/39/13/75/601391375.db2.gz FOEXLDCWDAQJEN-JTQLQIEISA-N -1 0 312.319 -0.775 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000831155067 601391397 /nfs/dbraw/zinc/39/13/97/601391397.db2.gz FOEXLDCWDAQJEN-SNVBAGLBSA-N -1 0 312.319 -0.775 20 0 DBADRM COC(=O)[C@H]1COCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000163423680 601392481 /nfs/dbraw/zinc/39/24/81/601392481.db2.gz CLNJKRFDNCMCQP-SECBINFHSA-N -1 0 318.307 -0.725 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000091293869 601396871 /nfs/dbraw/zinc/39/68/71/601396871.db2.gz RSGBETJIUFZKGV-SECBINFHSA-N -1 0 309.340 -0.555 20 0 DBADRM Cn1cc(N2CCN(Cn3cc(C(=O)[O-])nn3)CC2=O)cn1 ZINC000833044483 601400509 /nfs/dbraw/zinc/40/05/09/601400509.db2.gz BDNMKPVTJZJJJZ-UHFFFAOYSA-N -1 0 305.298 -0.984 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000829624041 601401237 /nfs/dbraw/zinc/40/12/37/601401237.db2.gz LMWNQDDYLOWEPQ-LLVKDONJSA-N -1 0 313.335 -0.350 20 0 DBADRM Cn1cc(N2CCN(c3ccc(C(=O)[O-])nn3)CC2=O)cn1 ZINC000833047272 601411121 /nfs/dbraw/zinc/41/11/21/601411121.db2.gz OFYNSFXZJWCFEE-UHFFFAOYSA-N -1 0 302.294 -0.239 20 0 DBADRM C/C(=C\COC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000825769069 601413363 /nfs/dbraw/zinc/41/33/63/601413363.db2.gz HDPMVIILNNJMNH-FPYGCLRLSA-N -1 0 306.278 -0.296 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000390261218 601415679 /nfs/dbraw/zinc/41/56/79/601415679.db2.gz OKGMAUBNNNAQIU-UHFFFAOYSA-N -1 0 321.399 -0.130 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCO[C@@H](CO)C1 ZINC000825977710 601425875 /nfs/dbraw/zinc/42/58/75/601425875.db2.gz MVPMQQVOSLCVBK-ZYHUDNBSSA-N -1 0 300.355 -0.609 20 0 DBADRM O=C([O-])/C=C1\SCC(=O)N1CCCN1CCO[C@@H](CO)C1 ZINC000833196448 601426342 /nfs/dbraw/zinc/42/63/42/601426342.db2.gz ULJCUZZTQMEKKI-GWHHBTOMSA-N -1 0 316.379 -0.429 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1=O ZINC000830907756 601427134 /nfs/dbraw/zinc/42/71/34/601427134.db2.gz PKGQXMXQBGKSQC-JWUFEOHASA-N -1 0 309.322 -0.456 20 0 DBADRM COCCCS(=O)(=O)NCCN1CC[C@](F)(C(=O)[O-])C1 ZINC000831705214 601435642 /nfs/dbraw/zinc/43/56/42/601435642.db2.gz CFROAYUSVHUIJB-LLVKDONJSA-N -1 0 312.363 -0.559 20 0 DBADRM C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000825982648 601437521 /nfs/dbraw/zinc/43/75/21/601437521.db2.gz JGWBYRLLWYQCNI-YMTOWFKASA-N -1 0 315.345 -0.403 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000825983390 601439712 /nfs/dbraw/zinc/43/97/12/601439712.db2.gz XJNRFCNAKYPABR-BFVZDQMLSA-N -1 0 315.345 -0.403 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCO[C@H](CC(=O)[O-])C1 ZINC000829847465 601453520 /nfs/dbraw/zinc/45/35/20/601453520.db2.gz GBUDQYSSJYFIKT-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM CC(C)CNC(=O)NC(=O)CN1CCO[C@H](CC(=O)[O-])C1 ZINC000091296374 601456884 /nfs/dbraw/zinc/45/68/84/601456884.db2.gz VOGLPGQMDBXINE-SNVBAGLBSA-N -1 0 301.343 -0.356 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCO[C@@H](CC(=O)[O-])C2)C[C@H](C)O1 ZINC000227564777 601460991 /nfs/dbraw/zinc/46/09/91/601460991.db2.gz DXXLDNFUORHXQF-TUAOUCFPSA-N -1 0 300.355 -0.202 20 0 DBADRM CCN(C(=O)CN(CC(=O)[O-])C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000037598423 601464571 /nfs/dbraw/zinc/46/45/71/601464571.db2.gz MZHWNCGOSRXZDL-NSHDSACASA-N -1 0 318.395 -0.429 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817706086 601466057 /nfs/dbraw/zinc/46/60/57/601466057.db2.gz BVHIRGQYTSXXRH-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cn(CC(N)=O)nn1 ZINC000830394212 601467755 /nfs/dbraw/zinc/46/77/55/601467755.db2.gz BJWCKRNBHSOFNO-UHFFFAOYSA-N -1 0 322.277 -0.026 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818486447 601468752 /nfs/dbraw/zinc/46/87/52/601468752.db2.gz ZMQLPPNPHULGTO-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000828617409 601471474 /nfs/dbraw/zinc/47/14/74/601471474.db2.gz CYEXRFHKCBXSRJ-LBPRGKRZSA-N -1 0 321.399 -0.339 20 0 DBADRM COC(=O)Cc1ccccc1NC(=O)C(=O)NCCC(=O)[O-] ZINC000818506261 601472521 /nfs/dbraw/zinc/47/25/21/601472521.db2.gz BPTRGWYWYJLOBM-UHFFFAOYSA-N -1 0 308.290 -0.069 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)n(C)n1 ZINC000830224751 601481959 /nfs/dbraw/zinc/48/19/59/601481959.db2.gz UYFHOVABLDPAGR-CYBMUJFWSA-N -1 0 312.301 -0.054 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000820637052 601496560 /nfs/dbraw/zinc/49/65/60/601496560.db2.gz BQBMVJYXFHGUQA-MRVPVSSYSA-N -1 0 307.306 -0.118 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000831000318 601496584 /nfs/dbraw/zinc/49/65/84/601496584.db2.gz BUBOBODKGMQPPP-ZCFIWIBFSA-N -1 0 311.269 -0.287 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCCCn2cncn2)CC1 ZINC000833202518 601507976 /nfs/dbraw/zinc/50/79/76/601507976.db2.gz GYSWIQUGRQRFOR-UHFFFAOYSA-N -1 0 302.356 -0.158 20 0 DBADRM CN([C@@H]1CCN(C)C1=O)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830923236 601517561 /nfs/dbraw/zinc/51/75/61/601517561.db2.gz CDXBFYQMRCCOHP-SECBINFHSA-N -1 0 304.368 -0.266 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000826717998 601521026 /nfs/dbraw/zinc/52/10/26/601521026.db2.gz XXSSJRFEDZZAAB-GXSJLCMTSA-N -1 0 306.384 -0.070 20 0 DBADRM O=C([O-])C[C@H](NC(=O)CCN1CCCS1(=O)=O)C1CC1 ZINC000767072796 601529672 /nfs/dbraw/zinc/52/96/72/601529672.db2.gz KALOXBUZRDTDEM-JTQLQIEISA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000833250325 601550832 /nfs/dbraw/zinc/55/08/32/601550832.db2.gz HGAPHOCFEBLMLF-QWRGUYRKSA-N -1 0 318.395 -0.381 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@@](F)(C(=O)[O-])C2)C1 ZINC000825870761 601555662 /nfs/dbraw/zinc/55/56/62/601555662.db2.gz BRKOGVBSHLXKJN-FZMZJTMJSA-N -1 0 315.345 -0.388 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1C[C@H](O)C[C@H](O)C1 ZINC000825977609 601556683 /nfs/dbraw/zinc/55/66/83/601556683.db2.gz KLMSKMMQHPTDLI-JLLWLGSASA-N -1 0 300.355 -0.874 20 0 DBADRM O=C([O-])c1ccc2c(=O)[nH]c(CN3C[C@H](O)C[C@H](O)C3)nc2c1 ZINC000833324948 601557889 /nfs/dbraw/zinc/55/78/89/601557889.db2.gz HZZGDMIBQDJSNM-AOOOYVTPSA-N -1 0 319.317 -0.039 20 0 DBADRM O=C(CN1CCOC[C@H]1C(=O)[O-])NC(=O)NCc1ccco1 ZINC000388038846 601558585 /nfs/dbraw/zinc/55/85/85/601558585.db2.gz INHYOKJPFGHRKO-JTQLQIEISA-N -1 0 311.294 -0.609 20 0 DBADRM Cc1oc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1S(N)(=O)=O ZINC000262549241 601559006 /nfs/dbraw/zinc/55/90/06/601559006.db2.gz WRMGMUBIBOGYPQ-ZETCQYMHSA-N -1 0 318.307 -0.839 20 0 DBADRM Cn1ncc2c1nnn(CN1CCSC[C@H]1CC(=O)[O-])c2=O ZINC000833062958 601559904 /nfs/dbraw/zinc/55/99/04/601559904.db2.gz SUAGWRSGIZXUPB-MRVPVSSYSA-N -1 0 324.366 -0.625 20 0 DBADRM NC(=O)c1ccc(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC000833085179 601564539 /nfs/dbraw/zinc/56/45/39/601564539.db2.gz IEGSRNZWAWLYRR-UHFFFAOYSA-N -1 0 324.318 -0.315 20 0 DBADRM O=C([O-])CNC(=O)CN1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000821530847 601568701 /nfs/dbraw/zinc/56/87/01/601568701.db2.gz MYJQMNDNXRSZDC-VHSXEESVSA-N -1 0 304.368 -0.771 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000740007984 601578411 /nfs/dbraw/zinc/57/84/11/601578411.db2.gz XOJNSBZVBIWHBJ-HXUWFJFHSA-N -1 0 305.400 -0.445 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000828471778 601587641 /nfs/dbraw/zinc/58/76/41/601587641.db2.gz OBRVEQOOLJKVJQ-DTWKUNHWSA-N -1 0 313.397 -0.597 20 0 DBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000833106260 601588478 /nfs/dbraw/zinc/58/84/78/601588478.db2.gz IVQVHFVSMCIXNM-SNVBAGLBSA-N -1 0 309.322 -0.170 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1cnn(C)c1N)C(=O)[O-] ZINC000828727770 601589841 /nfs/dbraw/zinc/58/98/41/601589841.db2.gz FGSULQXBHNYEPX-GMSGAONNSA-N -1 0 312.326 -0.225 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000831155033 601589995 /nfs/dbraw/zinc/58/99/95/601589995.db2.gz FFJFKJLEZKOHJT-IUCAKERBSA-N -1 0 308.356 -0.621 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000831735415 601590010 /nfs/dbraw/zinc/59/00/10/601590010.db2.gz VGEKTFPRTFGZFL-QWRGUYRKSA-N -1 0 324.399 -0.522 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](C(=O)[O-])C2CC2)C1=O ZINC000828082326 601593063 /nfs/dbraw/zinc/59/30/63/601593063.db2.gz NVAJAXVOEQSKFR-IINYFYTJSA-N -1 0 309.322 -0.314 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000827928505 601607380 /nfs/dbraw/zinc/60/73/80/601607380.db2.gz HTBAUMZIOCNZLI-YUMQZZPRSA-N -1 0 300.340 -0.392 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CSc1nnnn1C1CC1 ZINC000088376231 601607733 /nfs/dbraw/zinc/60/77/33/601607733.db2.gz QMKPWSWZXHNSLJ-QMMMGPOBSA-N -1 0 313.339 -0.588 20 0 DBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCOC[C@H]1C(=O)[O-])CS2 ZINC000252665614 601609412 /nfs/dbraw/zinc/60/94/12/601609412.db2.gz IDGQKVULIAPYMU-RWEMILLDSA-N -1 0 314.363 -0.248 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H](C)C(=O)[O-] ZINC000820149481 601610467 /nfs/dbraw/zinc/61/04/67/601610467.db2.gz XEXSPYJQSAEIPD-RNFRBKRXSA-N -1 0 305.312 -0.897 20 0 DBADRM CN(CC(=O)N1CCOC[C@H]1C(=O)[O-])c1ncnc2nc[nH]c21 ZINC000830669506 601610680 /nfs/dbraw/zinc/61/06/80/601610680.db2.gz FFTJAIGGLUGEQF-QMMMGPOBSA-N -1 0 320.309 -0.899 20 0 DBADRM COC(=O)CNC(=O)C1CCC(C(=O)NCC(=O)[O-])CC1 ZINC000831175983 601611676 /nfs/dbraw/zinc/61/16/76/601611676.db2.gz SQMCICZQKMZCMW-UHFFFAOYSA-N -1 0 300.311 -0.717 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)c2cnc3n(c2=O)CCS3)C1 ZINC000833356248 601649832 /nfs/dbraw/zinc/64/98/32/601649832.db2.gz DNDFBZMPFZAONM-GFCCVEGCSA-N -1 0 313.310 -0.012 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)CCC(=O)N2CCOCC2)C1 ZINC000833096212 601654883 /nfs/dbraw/zinc/65/48/83/601654883.db2.gz IRJIDXZRYBWAGA-CYBMUJFWSA-N -1 0 302.302 -0.349 20 0 DBADRM CCN(CC)C(=O)CCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000829648340 601660162 /nfs/dbraw/zinc/66/01/62/601660162.db2.gz KNIHMRZGSODGJG-SNVBAGLBSA-N -1 0 313.354 -0.563 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000231020691 601660472 /nfs/dbraw/zinc/66/04/72/601660472.db2.gz GHDQGFZEYBPIRJ-IUCAKERBSA-N -1 0 307.372 -0.712 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)CCN2CCCS2(=O)=O)C1 ZINC000262411878 601661689 /nfs/dbraw/zinc/66/16/89/601661689.db2.gz ADEWTPVGYZZAJV-NSHDSACASA-N -1 0 308.331 -0.563 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)CCSCC(=O)[O-])C1 ZINC000830552126 601665098 /nfs/dbraw/zinc/66/50/98/601665098.db2.gz YBYPTJWROPMIDK-UHFFFAOYSA-N -1 0 304.368 -0.490 20 0 DBADRM C[C@@H]1CN(C(=O)NCCOCCS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000828361494 601665209 /nfs/dbraw/zinc/66/52/09/601665209.db2.gz IMHCOHROXVJZFF-ZJUUUORDSA-N -1 0 322.383 -0.590 20 0 DBADRM C[C@H]1CN(C(=O)NCCOCCS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000828361492 601665255 /nfs/dbraw/zinc/66/52/55/601665255.db2.gz IMHCOHROXVJZFF-UWVGGRQHSA-N -1 0 322.383 -0.590 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@]23CCC(=O)N2CCS3)CCO1 ZINC000833215613 601671172 /nfs/dbraw/zinc/67/11/72/601671172.db2.gz PUCSEZIBEQNPMR-RNCFNFMXSA-N -1 0 314.363 -0.246 20 0 DBADRM COC[C@@H](C)CC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000831637760 601679650 /nfs/dbraw/zinc/67/96/50/601679650.db2.gz LMIOWXDSPOVHQQ-LBPRGKRZSA-N -1 0 302.371 -0.096 20 0 DBADRM Cn1cc(N2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2=O)cn1 ZINC000833047455 601686877 /nfs/dbraw/zinc/68/68/77/601686877.db2.gz SWDBZPLQERBWPY-UHFFFAOYSA-N -1 0 323.353 -0.111 20 0 DBADRM CC(C)(CNC(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000164935251 601687173 /nfs/dbraw/zinc/68/71/73/601687173.db2.gz LAXXIEUDRASTOC-UHFFFAOYSA-N -1 0 307.372 -0.616 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])C2=O)cn1 ZINC000833045599 601688201 /nfs/dbraw/zinc/68/82/01/601688201.db2.gz DHOFURVEGFNYSU-SNVBAGLBSA-N -1 0 323.353 -0.065 20 0 DBADRM COC[C@](C)(NC(=O)c1cn(Cc2ccccn2)nn1)C(=O)[O-] ZINC000831628095 601691373 /nfs/dbraw/zinc/69/13/73/601691373.db2.gz ZRGMBSUJCXRRBM-AWEZNQCLSA-N -1 0 319.321 -0.059 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@@](C)(COC)C(=O)[O-] ZINC000262141522 601692169 /nfs/dbraw/zinc/69/21/69/601692169.db2.gz SCJLTPOJORDWIS-NSHDSACASA-N -1 0 310.372 -0.736 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@](C)(COC)C(=O)[O-])CC1=O ZINC000328477538 601693740 /nfs/dbraw/zinc/69/37/40/601693740.db2.gz JDXCWUPHKPRJMF-NOZJJQNGSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@@](C)(NC(=O)c1ccc(S(N)(=O)=O)s1)C(=O)[O-] ZINC000831623856 601694297 /nfs/dbraw/zinc/69/42/97/601694297.db2.gz XBDBPQFSSGNNPH-SNVBAGLBSA-N -1 0 322.364 -0.385 20 0 DBADRM COC[C@](C)(NC(=O)COc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000831608388 601696388 /nfs/dbraw/zinc/69/63/88/601696388.db2.gz NZTSHGSSYJIINH-AWEZNQCLSA-N -1 0 310.306 -0.230 20 0 DBADRM COC[C@@](C)(NC(=O)c1ccc(-n2ccnc2)nn1)C(=O)[O-] ZINC000831617248 601697027 /nfs/dbraw/zinc/69/70/27/601697027.db2.gz ASQNRQLEABEKGP-CYBMUJFWSA-N -1 0 305.294 -0.118 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H](C(=O)[O-])C3CC3)cnc21 ZINC000833037531 601704369 /nfs/dbraw/zinc/70/43/69/601704369.db2.gz DJQSNTOHNOMVLK-SECBINFHSA-N -1 0 318.289 -0.373 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H](C(=O)[O-])C3CC3)cnc21 ZINC000833037532 601704381 /nfs/dbraw/zinc/70/43/81/601704381.db2.gz DJQSNTOHNOMVLK-VIFPVBQESA-N -1 0 318.289 -0.373 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000262712364 601710285 /nfs/dbraw/zinc/71/02/85/601710285.db2.gz FSDDPEOPIKSLOD-LLVKDONJSA-N -1 0 310.347 -0.317 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CC[C@@](F)(C(=O)[O-])C2)n1C ZINC000833018147 601712607 /nfs/dbraw/zinc/71/26/07/601712607.db2.gz MNTBWGUHOYXKHH-ZDUSSCGKSA-N -1 0 313.333 -0.419 20 0 DBADRM C[C@H]1CN(C(=O)CCCN2C(=O)CN(C)C2=O)C[C@@H]1C(=O)[O-] ZINC000315091759 601717725 /nfs/dbraw/zinc/71/77/25/601717725.db2.gz HNLXQPCRLURWJO-UWVGGRQHSA-N -1 0 311.338 -0.160 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(N2CCOCC2)nc1 ZINC000833192952 601720384 /nfs/dbraw/zinc/72/03/84/601720384.db2.gz HXHLYEBZZSINNV-GFCCVEGCSA-N -1 0 321.333 -0.156 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000832664435 601722373 /nfs/dbraw/zinc/72/23/73/601722373.db2.gz ALXZRXTVZANOBC-LBPRGKRZSA-N -1 0 305.352 -0.439 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)o1 ZINC000262191431 601723859 /nfs/dbraw/zinc/72/38/59/601723859.db2.gz YVLQNZLOIUUKPP-NSHDSACASA-N -1 0 318.307 -0.839 20 0 DBADRM O=C(CSc1nnnn1C1CC1)N[C@@]1(C(=O)[O-])CCOC1 ZINC000085854258 601725685 /nfs/dbraw/zinc/72/56/85/601725685.db2.gz GBVXUGSVWOEMEL-NSHDSACASA-N -1 0 313.339 -0.540 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2ccc3c(c2)NC(=O)CO3)CCOC1 ZINC000262139076 601726276 /nfs/dbraw/zinc/72/62/76/601726276.db2.gz MERXLLZYEKERJS-AWEZNQCLSA-N -1 0 306.274 -0.009 20 0 DBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@@]1(C(=O)[O-])CCOC1)CS2 ZINC000224759661 601735405 /nfs/dbraw/zinc/73/54/05/601735405.db2.gz JJGCMTNLEKHCHO-JCOFBHIZSA-N -1 0 314.363 -0.200 20 0 DBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000833029779 601737988 /nfs/dbraw/zinc/73/79/88/601737988.db2.gz IRXRDQUYMXSTSX-CQSZACIVSA-N -1 0 321.289 -0.192 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1=O ZINC000321106958 601755719 /nfs/dbraw/zinc/75/57/19/601755719.db2.gz YATBWRWVHRQNIR-ZDUSSCGKSA-N -1 0 323.349 -0.303 20 0 DBADRM CN(CC(=O)N[C@H](C(=O)[O-])C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000830669528 601757586 /nfs/dbraw/zinc/75/75/86/601757586.db2.gz GJNMHCBSNQKZDE-ONGXEEELSA-N -1 0 304.368 -0.915 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)NCC(C)(C)C(=O)[O-])n1 ZINC000830557288 601758477 /nfs/dbraw/zinc/75/84/77/601758477.db2.gz SXHIJDVHTSQLNT-UHFFFAOYSA-N -1 0 312.330 -0.401 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000829680415 601758656 /nfs/dbraw/zinc/75/86/56/601758656.db2.gz ZRMVHFQUWOXPJZ-VHSXEESVSA-N -1 0 306.384 -0.163 20 0 DBADRM CN(CC(=O)N1CC[C@@](F)(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000830665596 601758984 /nfs/dbraw/zinc/75/89/84/601758984.db2.gz DJGMFXSVJMGHDB-CABZTGNLSA-N -1 0 322.358 -0.870 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCCCN2CCOCC2)CCO1 ZINC000316683723 601761506 /nfs/dbraw/zinc/76/15/06/601761506.db2.gz GDHUYSXJRXXQTG-GFCCVEGCSA-N -1 0 315.370 -0.406 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@@H]1C(=O)[O-] ZINC000828325093 601761541 /nfs/dbraw/zinc/76/15/41/601761541.db2.gz ANIROYLBOHVINF-YWVKMMECSA-N -1 0 306.322 -0.058 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1 ZINC000830424057 601762097 /nfs/dbraw/zinc/76/20/97/601762097.db2.gz GQUWDUHUWXCPJK-SNVBAGLBSA-N -1 0 310.310 -0.456 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)cn2C)C[C@@H]1C(=O)[O-] ZINC000111249039 601763195 /nfs/dbraw/zinc/76/31/95/601763195.db2.gz NPGCROPRAKEAGO-CBAPKCEASA-N -1 0 315.351 -0.535 20 0 DBADRM C[C@H]1CN(C(=S)NCCNS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000828411089 601764686 /nfs/dbraw/zinc/76/46/86/601764686.db2.gz DLBSBOAKCNRHDE-JGVFFNPUSA-N -1 0 309.413 -0.937 20 0 DBADRM O=C(CCCCN1CCOCC1)N[C@]1(C(=O)[O-])CCOC1 ZINC000833097839 601766312 /nfs/dbraw/zinc/76/63/12/601766312.db2.gz WLQCGNAHWLFIGI-CQSZACIVSA-N -1 0 300.355 -0.151 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000228852777 601770536 /nfs/dbraw/zinc/77/05/36/601770536.db2.gz OFZFTRSZJAMLEP-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000827541148 601771258 /nfs/dbraw/zinc/77/12/58/601771258.db2.gz KSZJNNAUGSVYMK-VIFPVBQESA-N -1 0 306.384 -0.163 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000828509039 601772967 /nfs/dbraw/zinc/77/29/67/601772967.db2.gz LRZVSAVNNISSRA-NWDGAFQWSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@@H](CS(=O)(=O)NCCNC(=O)c1ccco1)C(=O)[O-] ZINC000827557771 601773591 /nfs/dbraw/zinc/77/35/91/601773591.db2.gz HDPCNLQKMMVXGP-QMMMGPOBSA-N -1 0 304.324 -0.351 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CC1)C(=O)[O-] ZINC000827543216 601774238 /nfs/dbraw/zinc/77/42/38/601774238.db2.gz ZYJWMRXPVNYHON-PSASIEDQSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC000827548200 601774248 /nfs/dbraw/zinc/77/42/48/601774248.db2.gz ZCUSNLSLYXERJM-JTQLQIEISA-N -1 0 314.367 -0.351 20 0 DBADRM COCCOC[C@@H](C)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000831762222 601778401 /nfs/dbraw/zinc/77/84/01/601778401.db2.gz DXSIGUVWGFQRNL-GHMZBOCLSA-N -1 0 304.343 -0.077 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CCO1 ZINC000833217483 601781319 /nfs/dbraw/zinc/78/13/19/601781319.db2.gz OLGIDLULJWKJGK-KOLCDFICSA-N -1 0 311.338 -0.365 20 0 DBADRM CC[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000818140828 601781612 /nfs/dbraw/zinc/78/16/12/601781612.db2.gz NQXYMZQTDVYWDC-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM Cc1nc2n(n1)C[C@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])CC2 ZINC000833007572 601786343 /nfs/dbraw/zinc/78/63/43/601786343.db2.gz PCKSKRPOTPYINX-IONNQARKSA-N -1 0 302.356 -0.459 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])CC2 ZINC000833007568 601786464 /nfs/dbraw/zinc/78/64/64/601786464.db2.gz PCKSKRPOTPYINX-APPZFPTMSA-N -1 0 302.356 -0.459 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H](C)[C@H](C)N1CCOCC1)C(=O)[O-] ZINC000827553492 601788082 /nfs/dbraw/zinc/78/80/82/601788082.db2.gz NUQLJJKXRUKVTK-VWYCJHECSA-N -1 0 308.400 -0.264 20 0 DBADRM COCCN1CCC[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC000831743640 601788426 /nfs/dbraw/zinc/78/84/26/601788426.db2.gz ADWLYOVWLVDMFM-GHMZBOCLSA-N -1 0 308.400 -0.263 20 0 DBADRM CCc1nnc2n1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C2 ZINC000830339086 601790279 /nfs/dbraw/zinc/79/02/79/601790279.db2.gz MDTCRJTXJMDSEJ-MRVPVSSYSA-N -1 0 302.356 -0.293 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C)C(=O)[O-] ZINC000827547539 601792792 /nfs/dbraw/zinc/79/27/92/601792792.db2.gz UZUYPDBMROLDGL-HLTSFMKQSA-N -1 0 313.397 -0.456 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)C(=O)[O-] ZINC000827551120 601796424 /nfs/dbraw/zinc/79/64/24/601796424.db2.gz FAHGNKYUSIJBQP-SGIHWFKDSA-N -1 0 304.368 -0.364 20 0 DBADRM COC(=O)CN(C1CCOCC1)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000831163594 601797216 /nfs/dbraw/zinc/79/72/16/601797216.db2.gz ASKIEKOHDXXTHG-VIFPVBQESA-N -1 0 323.367 -0.309 20 0 DBADRM NC(=O)NC1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000396903139 601798313 /nfs/dbraw/zinc/79/83/13/601798313.db2.gz XVLUJLHLZNBKHC-UHFFFAOYSA-N -1 0 316.339 -0.466 20 0 DBADRM COC(=O)[C@H]1Cc2ccccc2CN1CC(=O)NCC(=O)[O-] ZINC000820660862 601799196 /nfs/dbraw/zinc/79/91/96/601799196.db2.gz MOOQMZGIOLVNBH-GFCCVEGCSA-N -1 0 306.318 -0.213 20 0 DBADRM COC[C@@](C)(CC(=O)OC)NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000831591656 601799264 /nfs/dbraw/zinc/79/92/64/601799264.db2.gz XIIQABSSSMKBKD-GZMMTYOYSA-N -1 0 311.356 -0.405 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000830742675 601799318 /nfs/dbraw/zinc/79/93/18/601799318.db2.gz MZYYJNQQRFNEKR-DTWKUNHWSA-N -1 0 307.372 -0.729 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN(C[C@H]2CCOC2)CC1)C(=O)[O-] ZINC000827545486 601799570 /nfs/dbraw/zinc/79/95/70/601799570.db2.gz BEKBSBUZDBGKKX-VXGBXAGGSA-N -1 0 320.411 -0.309 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN(C[C@H]2CCOC2)CC1)C(=O)[O-] ZINC000827545484 601799678 /nfs/dbraw/zinc/79/96/78/601799678.db2.gz BEKBSBUZDBGKKX-NWDGAFQWSA-N -1 0 320.411 -0.309 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1)C(=O)[O-] ZINC000827545696 601800691 /nfs/dbraw/zinc/80/06/91/601800691.db2.gz CPYYMQFRKXEBCS-KOLCDFICSA-N -1 0 317.367 -0.156 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1)C(=O)[O-] ZINC000827545698 601800730 /nfs/dbraw/zinc/80/07/30/601800730.db2.gz CPYYMQFRKXEBCS-ONGXEEELSA-N -1 0 317.367 -0.156 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-] ZINC000831631682 601805912 /nfs/dbraw/zinc/80/59/12/601805912.db2.gz LGMBQJXBDGAUIC-LLVKDONJSA-N -1 0 320.323 -0.431 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)N[C@](C)(COC)C(=O)[O-])C1=O ZINC000328555604 601817429 /nfs/dbraw/zinc/81/74/29/601817429.db2.gz ZCMHOUQKAJBCNG-QWHCGFSZSA-N -1 0 315.326 -0.687 20 0 DBADRM C[C@@H]1CN(Cn2cc(S(=O)(=O)N(C)C)cn2)C[C@H]1C(=O)[O-] ZINC000828463886 601819278 /nfs/dbraw/zinc/81/92/78/601819278.db2.gz SAJYOZIJERKGLO-MWLCHTKSSA-N -1 0 316.383 -0.257 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCN(C(=O)NC)CC1)C(=O)[O-] ZINC000828720062 601843670 /nfs/dbraw/zinc/84/36/70/601843670.db2.gz UGXSEACHMNNHOJ-PWSUYJOCSA-N -1 0 314.386 -0.441 20 0 DBADRM CNC(=O)N1CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000831000743 601843782 /nfs/dbraw/zinc/84/37/82/601843782.db2.gz MFTKNGXILAOIOS-LLVKDONJSA-N -1 0 314.386 -0.441 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=S)NCCN2CCOCC2)C1 ZINC000828020103 601852840 /nfs/dbraw/zinc/85/28/40/601852840.db2.gz JZYADUZMSFLDAY-CYBMUJFWSA-N -1 0 301.412 -0.010 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000833080297 601857040 /nfs/dbraw/zinc/85/70/40/601857040.db2.gz NABYPCOFCGUTQA-ZETCQYMHSA-N -1 0 323.280 -0.204 20 0 DBADRM COC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000831660897 601859249 /nfs/dbraw/zinc/85/92/49/601859249.db2.gz SWZMBKSQTHOQKT-MRVPVSSYSA-N -1 0 314.269 -0.414 20 0 DBADRM CN1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1=O ZINC000830923887 601860312 /nfs/dbraw/zinc/86/03/12/601860312.db2.gz WASLCYGALSDZKS-JTQLQIEISA-N -1 0 323.280 -0.191 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000831000909 601864529 /nfs/dbraw/zinc/86/45/29/601864529.db2.gz PESZDHHNKFUHAW-ZCFIWIBFSA-N -1 0 311.269 -0.287 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(CN2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000830631532 601894350 /nfs/dbraw/zinc/89/43/50/601894350.db2.gz MNWYSLSWLFHNMK-GFCCVEGCSA-N -1 0 316.383 -0.113 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)NCC2(C(=O)[O-])CCCC2)O1 ZINC000833082832 601898232 /nfs/dbraw/zinc/89/82/32/601898232.db2.gz RIRVQYCVGGJSQI-ZJUUUORDSA-N -1 0 313.354 -0.037 20 0 DBADRM CN(CC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1)S(C)(=O)=O ZINC000739578506 601899655 /nfs/dbraw/zinc/89/96/55/601899655.db2.gz KVCLCTNZDTVVRQ-VIFPVBQESA-N -1 0 307.372 -0.521 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000739312018 601907515 /nfs/dbraw/zinc/90/75/15/601907515.db2.gz LIVSVNPVYLDZKR-NXEZZACHSA-N -1 0 321.399 -0.037 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)NCCCCCC(=O)[O-])O1 ZINC000833081540 601908619 /nfs/dbraw/zinc/90/86/19/601908619.db2.gz IKKWEPOZWGGARI-NXEZZACHSA-N -1 0 301.343 -0.037 20 0 DBADRM COCCNC(=O)CN1CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC000831745997 601930246 /nfs/dbraw/zinc/93/02/46/601930246.db2.gz UWMXPRRMLMMLBR-UHFFFAOYSA-N -1 0 323.353 -0.941 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC000826000045 601930558 /nfs/dbraw/zinc/93/05/58/601930558.db2.gz LTOQROBRDZVATK-SNVBAGLBSA-N -1 0 319.365 -0.036 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)[C@@H](NC(=O)[O-])c2ccccc2)CCO1 ZINC000740329948 601939221 /nfs/dbraw/zinc/93/92/21/601939221.db2.gz ZKYINFQXGBLZRT-QWRGUYRKSA-N -1 0 307.306 -0.292 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000739317534 601952248 /nfs/dbraw/zinc/95/22/48/601952248.db2.gz YISIDMQBYHVRNK-OQPBUACISA-N -1 0 312.326 -0.425 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)C3(NC(=O)[O-])CCCC3)C2)C1=O ZINC000739727164 601953365 /nfs/dbraw/zinc/95/33/65/601953365.db2.gz JCSHEGOYSXFNBB-AWEZNQCLSA-N -1 0 324.337 -0.281 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NCCCN1CCCS1(=O)=O ZINC000739530786 601962413 /nfs/dbraw/zinc/96/24/13/601962413.db2.gz KDPMJJSOZUHPHT-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000825999597 601970176 /nfs/dbraw/zinc/97/01/76/601970176.db2.gz FHJIGDCZHDTPMK-GIPNMCIBSA-N -1 0 318.395 -0.525 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)Cn1c(C)cc(O)cc1=O ZINC000831554011 601971327 /nfs/dbraw/zinc/97/13/27/601971327.db2.gz PIYYZYYFIMHPCV-AWEZNQCLSA-N -1 0 312.322 -0.142 20 0 DBADRM O=C([O-])N1CCN(CCNS(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000740526433 601984020 /nfs/dbraw/zinc/98/40/20/601984020.db2.gz FFTWNTRANQDIHE-NSHDSACASA-N -1 0 321.399 -0.620 20 0 DBADRM O=C([O-])N1CCC(CNS(=O)(=O)N2CCOCC2)CC1 ZINC000740497363 601988883 /nfs/dbraw/zinc/98/88/83/601988883.db2.gz VGXRABBOMITLEN-UHFFFAOYSA-N -1 0 307.372 -0.457 20 0 DBADRM O=C([O-])NCCC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000738655210 601989986 /nfs/dbraw/zinc/98/99/86/601989986.db2.gz YHEZCGPEQMXXIL-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)Nc2ccn(CC(=O)[O-])n2)O1 ZINC000833080590 601997265 /nfs/dbraw/zinc/99/72/65/601997265.db2.gz BOCUVHHGHICFKO-SFYZADRCSA-N -1 0 311.298 -0.878 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000830557621 601998016 /nfs/dbraw/zinc/99/80/16/601998016.db2.gz ZCTMZEOCSDIBSM-CYBMUJFWSA-N -1 0 324.341 -0.305 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)CC[C@@H]2NC(=O)NC2=O)c1 ZINC000821374642 602022024 /nfs/dbraw/zinc/02/20/24/602022024.db2.gz DCXJJZWRWDAXHN-JTQLQIEISA-N -1 0 305.290 -0.011 20 0 DBADRM O=C([O-])CNC(=O)CN1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000821530835 602025485 /nfs/dbraw/zinc/02/54/85/602025485.db2.gz MUCGOIPBUPOFPY-WDEREUQCSA-N -1 0 312.322 -0.395 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCN2C(=O)OC[C@@H]2C1)C(=O)[O-] ZINC000826786516 602030080 /nfs/dbraw/zinc/03/00/80/602030080.db2.gz OKSGCPIOHJVWIC-QWRGUYRKSA-N -1 0 313.354 -0.262 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN2C(=O)OC[C@H]2C1)C(=O)[O-] ZINC000828715915 602030265 /nfs/dbraw/zinc/03/02/65/602030265.db2.gz DWPRKJGPNRVTNX-HOSYDEDBSA-N -1 0 313.354 -0.262 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000831807209 602047804 /nfs/dbraw/zinc/04/78/04/602047804.db2.gz FCQNNIOXJCQLDN-AWEZNQCLSA-N -1 0 324.337 -0.209 20 0 DBADRM CN(C)CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000830604893 602048406 /nfs/dbraw/zinc/04/84/06/602048406.db2.gz WMAXEJBTIUTASP-MXWKQRLJSA-N -1 0 318.395 -0.716 20 0 DBADRM O=C([O-])N1CCC(CNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000740415585 602053355 /nfs/dbraw/zinc/05/33/55/602053355.db2.gz IVMYAGMLKHNKMW-JTQLQIEISA-N -1 0 319.383 -0.137 20 0 DBADRM CN(CC(=O)N1CC[C@@](C)(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000830665650 602053995 /nfs/dbraw/zinc/05/39/95/602053995.db2.gz JUOGBNRSVCBLJU-ZWNOBZJWSA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)NCCC(=O)N2CCOCC2)C1 ZINC000317066285 602057717 /nfs/dbraw/zinc/05/77/17/602057717.db2.gz SDUQBMQAUQZCFG-CQSZACIVSA-N -1 0 313.354 -0.259 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)NCCC(=O)N2CCOCC2)C1 ZINC000317066282 602057809 /nfs/dbraw/zinc/05/78/09/602057809.db2.gz SDUQBMQAUQZCFG-AWEZNQCLSA-N -1 0 313.354 -0.259 20 0 DBADRM CNC(=O)NC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000739750647 602070218 /nfs/dbraw/zinc/07/02/18/602070218.db2.gz VVRSHBHVOFSIEK-JTQLQIEISA-N -1 0 323.305 -0.136 20 0 DBADRM NC(=O)Cn1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)nn1 ZINC000819116989 602073746 /nfs/dbraw/zinc/07/37/46/602073746.db2.gz OOBNFMWAUDWCKX-UHFFFAOYSA-N -1 0 303.278 -0.357 20 0 DBADRM O=C([O-])N(CCNC(=O)NCCN1CCOCC1)C1CC1 ZINC000740441902 602074811 /nfs/dbraw/zinc/07/48/11/602074811.db2.gz QPODBJCAWNRIBQ-UHFFFAOYSA-N -1 0 300.359 -0.240 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000739994670 602078120 /nfs/dbraw/zinc/07/81/20/602078120.db2.gz KHMBKRGOVGKMLE-VIFPVBQESA-N -1 0 322.387 -0.775 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000827316970 602081653 /nfs/dbraw/zinc/08/16/53/602081653.db2.gz HCRDCZFKRLRBKE-SSDOTTSWSA-N -1 0 320.305 -0.319 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739462228 602084178 /nfs/dbraw/zinc/08/41/78/602084178.db2.gz MAYCBYBRWXCQBV-UHFFFAOYSA-N -1 0 309.282 -0.638 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000827257988 602094402 /nfs/dbraw/zinc/09/44/02/602094402.db2.gz VTFNPPQEVJIDPC-NXEZZACHSA-N -1 0 306.384 -0.115 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000739226983 602110326 /nfs/dbraw/zinc/11/03/26/602110326.db2.gz CZGXQXSUXFAERE-UWVGGRQHSA-N -1 0 321.399 -0.228 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000739284515 602110983 /nfs/dbraw/zinc/11/09/83/602110983.db2.gz JOAZFOSVDSOIRN-GFCCVEGCSA-N -1 0 321.399 -0.083 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)NCCCNS(C)(=O)=O ZINC000739231041 602117672 /nfs/dbraw/zinc/11/76/72/602117672.db2.gz DARVAHCJBVCVJA-BDAKNGLRSA-N -1 0 309.388 -0.276 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)NCCCNS(C)(=O)=O ZINC000739231047 602117686 /nfs/dbraw/zinc/11/76/86/602117686.db2.gz DARVAHCJBVCVJA-RKDXNWHRSA-N -1 0 309.388 -0.276 20 0 DBADRM C[C@@]1(c2ccc(CNC(=O)CNC(=O)[O-])cc2)NC(=O)NC1=O ZINC000736738809 602117997 /nfs/dbraw/zinc/11/79/97/602117997.db2.gz QHCQLVLWGSDODC-AWEZNQCLSA-N -1 0 320.305 -0.375 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000827256596 602124286 /nfs/dbraw/zinc/12/42/86/602124286.db2.gz JITLVAKTULLNHJ-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1=O ZINC000818478287 602133432 /nfs/dbraw/zinc/13/34/32/602133432.db2.gz KHXPTJNHOBPZMD-LLVKDONJSA-N -1 0 319.317 -0.401 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 ZINC000827310616 602133441 /nfs/dbraw/zinc/13/34/41/602133441.db2.gz JZHMGXZNJIPALO-QMMMGPOBSA-N -1 0 307.306 -0.049 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000833228493 602134136 /nfs/dbraw/zinc/13/41/36/602134136.db2.gz PUARNWOSYHWYBZ-ZJUUUORDSA-N -1 0 304.368 -0.076 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000827293375 602134509 /nfs/dbraw/zinc/13/45/09/602134509.db2.gz WQRSJTCBZKPAAX-SECBINFHSA-N -1 0 306.384 -0.115 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000739238811 602143505 /nfs/dbraw/zinc/14/35/05/602143505.db2.gz NHRCVKILRWEMSM-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM COCCN(C(=O)[C@@H](C)CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000831710499 602149327 /nfs/dbraw/zinc/14/93/27/602149327.db2.gz YQCGBRVQCVGEAC-UWVGGRQHSA-N -1 0 307.368 -0.241 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)C(=O)[O-] ZINC000739620693 602159917 /nfs/dbraw/zinc/15/99/17/602159917.db2.gz YDYLYBUHYRCDMG-LLVKDONJSA-N -1 0 313.354 -0.306 20 0 DBADRM CCNC(=O)N1CC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000829794512 602169054 /nfs/dbraw/zinc/16/90/54/602169054.db2.gz GIECFYFFEIYMFK-VIFPVBQESA-N -1 0 322.387 -0.969 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000827279518 602187673 /nfs/dbraw/zinc/18/76/73/602187673.db2.gz CYILQQPUHKSYAB-KXUCPTDWSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000738619654 602190528 /nfs/dbraw/zinc/19/05/28/602190528.db2.gz NTOVIFVCXKZGII-JTQLQIEISA-N -1 0 312.370 -0.593 20 0 DBADRM CCCCNC(=O)CN1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000739333211 602191266 /nfs/dbraw/zinc/19/12/66/602191266.db2.gz SHFJNHDTHXOMKB-UHFFFAOYSA-N -1 0 314.386 -0.343 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)Oc1ccc(C(=O)NCC(N)=O)cc1 ZINC000827349759 602193485 /nfs/dbraw/zinc/19/34/85/602193485.db2.gz SQTOEJPOVXHEJR-MRVPVSSYSA-N -1 0 308.290 -0.082 20 0 DBADRM CN1CCO[C@@H]2CN(C(=O)NCCSCC(=O)[O-])C[C@H]21 ZINC000830964379 602196759 /nfs/dbraw/zinc/19/67/59/602196759.db2.gz JVRGNESYVHRRBA-NXEZZACHSA-N -1 0 303.384 -0.471 20 0 DBADRM Cn1c2ccncc2n(CN2CCO[C@@H](CC(=O)[O-])C2)c1=O ZINC000833039287 602197010 /nfs/dbraw/zinc/19/70/10/602197010.db2.gz UAZWBHWGLHUEOU-JTQLQIEISA-N -1 0 306.322 -0.132 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000827292096 602205284 /nfs/dbraw/zinc/20/52/84/602205284.db2.gz OXLCDQSJHHDDGF-OPRDCNLKSA-N -1 0 306.384 -0.069 20 0 DBADRM C[C@@H](OC(=O)CN(C)C(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC000739041203 602205974 /nfs/dbraw/zinc/20/59/74/602205974.db2.gz HCEGHBMAKPXWHP-MRVPVSSYSA-N -1 0 315.326 -0.735 20 0 DBADRM CN(CC(=O)OCCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC000739633577 602206543 /nfs/dbraw/zinc/20/65/43/602206543.db2.gz WAWLTAADPMGTMF-UHFFFAOYSA-N -1 0 301.299 -0.140 20 0 DBADRM NC(=O)NC(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000833083534 602211001 /nfs/dbraw/zinc/21/10/01/602211001.db2.gz CBWSTGXSGROHPU-UHFFFAOYSA-N -1 0 321.336 -0.690 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)OCCN1C(=O)CNC1=O ZINC000739237654 602214077 /nfs/dbraw/zinc/21/40/77/602214077.db2.gz TYKXIVSGKOXKHT-VXNVDRBHSA-N -1 0 301.299 -0.236 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCCNC(=O)[O-])c1 ZINC000737375184 602217172 /nfs/dbraw/zinc/21/71/72/602217172.db2.gz BEVIUPFZZIIJJB-UHFFFAOYSA-N -1 0 305.312 -0.311 20 0 DBADRM O=C([O-])NCCCOC(=O)Cn1nnc2ccccc2c1=O ZINC000740655359 602227520 /nfs/dbraw/zinc/22/75/20/602227520.db2.gz XTWOZSUOQSFQBN-UHFFFAOYSA-N -1 0 306.278 -0.008 20 0 DBADRM CC(C)S(=O)(=O)CCCN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000696721079 602234617 /nfs/dbraw/zinc/23/46/17/602234617.db2.gz REGNZCCMJCWSMI-SNVBAGLBSA-N -1 0 306.384 -0.525 20 0 DBADRM C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000738952886 602253772 /nfs/dbraw/zinc/25/37/72/602253772.db2.gz BSODFZXUUVGVNU-RDDDGLTNSA-N -1 0 322.296 -0.165 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)NC1CCN(C(=O)[O-])CC1 ZINC000738000659 602259056 /nfs/dbraw/zinc/25/90/56/602259056.db2.gz GIBZLJVSKQTKGU-UHFFFAOYSA-N -1 0 307.372 -0.185 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@H]1CCNC(=O)C1)C(=O)[O-] ZINC000828720883 602261351 /nfs/dbraw/zinc/26/13/51/602261351.db2.gz ZKILLGGUAFMQOY-AUTRQRHGSA-N -1 0 314.338 -0.329 20 0 DBADRM CCOC(=O)CCN(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000737861447 602275149 /nfs/dbraw/zinc/27/51/49/602275149.db2.gz ILODZFUVCAJZJJ-UHFFFAOYSA-N -1 0 301.343 -0.306 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)O[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000827324326 602275215 /nfs/dbraw/zinc/27/52/15/602275215.db2.gz CVVDKGOBZPZEPY-UTLUCORTSA-N -1 0 314.338 -0.247 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)COC(=O)[C@H](C)CC(=O)[O-] ZINC000831643159 602275361 /nfs/dbraw/zinc/27/53/61/602275361.db2.gz BZLSFLPBABRMNI-HTQZYQBOSA-N -1 0 304.299 -0.499 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC000827333261 602275796 /nfs/dbraw/zinc/27/57/96/602275796.db2.gz JCKOPSSNFZYDCM-DTWKUNHWSA-N -1 0 300.311 -0.493 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)OCCNS(=O)(=O)c1cnn(C)c1 ZINC000827342610 602277909 /nfs/dbraw/zinc/27/79/09/602277909.db2.gz XBMKBVFEXHDBHE-QMMMGPOBSA-N -1 0 319.339 -0.648 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000825841642 602279583 /nfs/dbraw/zinc/27/95/83/602279583.db2.gz UZHNUBOSQLZONU-ZJUUUORDSA-N -1 0 314.338 -0.280 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739738864 602284216 /nfs/dbraw/zinc/28/42/16/602284216.db2.gz HTWXNXQONHUSGJ-UHFFFAOYSA-N -1 0 320.305 -0.472 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)c2cnccc2C(=O)[O-])n1 ZINC000830647143 602288745 /nfs/dbraw/zinc/28/87/45/602288745.db2.gz MLUADRAVUKMQLK-UHFFFAOYSA-N -1 0 318.293 -0.030 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)NCCN(C)C(=O)[O-])n1cccn1 ZINC000738601260 602294409 /nfs/dbraw/zinc/29/44/09/602294409.db2.gz LMPHWLFKMIGYRR-SNVBAGLBSA-N -1 0 311.342 -0.372 20 0 DBADRM CN(CCNC(=O)CS[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739692159 602299682 /nfs/dbraw/zinc/29/96/82/602299682.db2.gz OENUHDVMBCQFBL-MRVPVSSYSA-N -1 0 310.397 -0.367 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@H](CCSC)NC(=O)[O-])CCO1 ZINC000739755765 602302740 /nfs/dbraw/zinc/30/27/40/602302740.db2.gz MIUSCGLXJHDFOO-DTWKUNHWSA-N -1 0 320.367 -0.224 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)NC(C)(C)CNC(=O)[O-] ZINC000738703352 602304053 /nfs/dbraw/zinc/30/40/53/602304053.db2.gz IBLRNJAZSSKXLG-UHFFFAOYSA-N -1 0 309.388 -0.133 20 0 DBADRM CN(CCNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000739701540 602304354 /nfs/dbraw/zinc/30/43/54/602304354.db2.gz TUKKTHVIEMPSER-UHFFFAOYSA-N -1 0 304.328 -0.988 20 0 DBADRM COCCN1C[C@H](C(=O)NC(C)(C)CNC(=O)[O-])CC1=O ZINC000739828157 602307105 /nfs/dbraw/zinc/30/71/05/602307105.db2.gz FZQCOIIWDZGTFV-SECBINFHSA-N -1 0 301.343 -0.356 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000738750500 602307523 /nfs/dbraw/zinc/30/75/23/602307523.db2.gz HFNPEAGNTJCILZ-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM CN(CCNS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000739701262 602317498 /nfs/dbraw/zinc/31/74/98/602317498.db2.gz POSDRPQTOMAGCR-UHFFFAOYSA-N -1 0 301.324 -0.326 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)NCCNC(=O)[O-])cc1 ZINC000740342958 602319458 /nfs/dbraw/zinc/31/94/58/602319458.db2.gz MCWMCGLJKUNMPT-UHFFFAOYSA-N -1 0 316.339 -0.599 20 0 DBADRM COc1ccc(CNC(=O)CNC(=O)NCCNC(=O)[O-])cc1 ZINC000739909266 602321956 /nfs/dbraw/zinc/32/19/56/602321956.db2.gz QIUYIYZCAAWLOS-UHFFFAOYSA-N -1 0 324.337 -0.122 20 0 DBADRM COCCC(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739803538 602324821 /nfs/dbraw/zinc/32/48/21/602324821.db2.gz BTRPMFNMRYUGJR-JTQLQIEISA-N -1 0 301.343 -0.355 20 0 DBADRM CCCS(=O)(=O)NC1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000739371951 602325203 /nfs/dbraw/zinc/32/52/03/602325203.db2.gz FLNRVZDJADVFNY-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM CCC(=O)N1CC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000828562421 602329263 /nfs/dbraw/zinc/32/92/63/602329263.db2.gz PCGQWWWAJDSBMF-VIFPVBQESA-N -1 0 307.372 -0.762 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)CCCC(=O)[O-] ZINC000827422374 602330074 /nfs/dbraw/zinc/33/00/74/602330074.db2.gz QVBCAEGSBBHXIF-MRVPVSSYSA-N -1 0 301.386 -0.406 20 0 DBADRM COC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739799954 602338302 /nfs/dbraw/zinc/33/83/02/602338302.db2.gz AUTCUUVCAHBYRY-QWRGUYRKSA-N -1 0 315.370 -0.109 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000821531539 602343214 /nfs/dbraw/zinc/34/32/14/602343214.db2.gz KIAFOCZDYZKPBE-UHFFFAOYSA-N -1 0 318.289 -0.311 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)NCCCNC(=O)[O-])n1cccn1 ZINC000738604993 602343864 /nfs/dbraw/zinc/34/38/64/602343864.db2.gz SRDXAUUFXMCREV-SNVBAGLBSA-N -1 0 311.342 -0.324 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)NCCSCC(=O)[O-] ZINC000827421993 602344567 /nfs/dbraw/zinc/34/45/67/602344567.db2.gz HDNRDYOLRFEMOP-MRVPVSSYSA-N -1 0 312.413 -0.073 20 0 DBADRM COCCNC(=O)CNC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739831209 602355945 /nfs/dbraw/zinc/35/59/45/602355945.db2.gz KQLBZIXTQQOTQH-UHFFFAOYSA-N -1 0 301.343 -0.308 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000829804373 602363034 /nfs/dbraw/zinc/36/30/34/602363034.db2.gz VXGYIKVYXASKTQ-UHFFFAOYSA-N -1 0 318.355 -0.216 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000827421859 602365355 /nfs/dbraw/zinc/36/53/55/602365355.db2.gz CAGIDQRNAAKMAO-MRVPVSSYSA-N -1 0 318.355 -0.088 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000739522856 602373946 /nfs/dbraw/zinc/37/39/46/602373946.db2.gz GJBAQQZSYMIAAV-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739996380 602376255 /nfs/dbraw/zinc/37/62/55/602376255.db2.gz PSMFUWGCBUQSSF-UHFFFAOYSA-N -1 0 321.399 -0.132 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCOCC1 ZINC000736367716 602376727 /nfs/dbraw/zinc/37/67/27/602376727.db2.gz KYQNTTRDCURXLS-NSHDSACASA-N -1 0 301.343 -0.356 20 0 DBADRM CC(C)N(CCCNS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000738847310 602389655 /nfs/dbraw/zinc/38/96/55/602389655.db2.gz BPVBSQVXQJOEFP-UHFFFAOYSA-N -1 0 309.388 -0.069 20 0 DBADRM COc1ccccc1[C@H](O)CNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000832595553 602398267 /nfs/dbraw/zinc/39/82/67/602398267.db2.gz MGIKTOGSTANMNF-LLVKDONJSA-N -1 0 320.305 -0.165 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1F ZINC000833359288 602403036 /nfs/dbraw/zinc/40/30/36/602403036.db2.gz WUDFBKOUQZDCIJ-UHFFFAOYSA-N -1 0 309.253 -0.579 20 0 DBADRM CN(CC(=O)NCC[C@H]1CCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000739623390 602416376 /nfs/dbraw/zinc/41/63/76/602416376.db2.gz NCBNKMQFXOSLIV-VIFPVBQESA-N -1 0 307.372 -0.616 20 0 DBADRM O=C(Cn1ccc(=O)[nH]c1=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000740389175 602418143 /nfs/dbraw/zinc/41/81/43/602418143.db2.gz RUUUJXIZVFICLP-VIFPVBQESA-N -1 0 310.310 -0.545 20 0 DBADRM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)CNC(=O)[O-] ZINC000736809473 602421659 /nfs/dbraw/zinc/42/16/59/602421659.db2.gz LIMJCSCFBGGMOG-NWDGAFQWSA-N -1 0 314.386 -0.883 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cn1cnc2c1ncnc2N ZINC000739157756 602425478 /nfs/dbraw/zinc/42/54/78/602425478.db2.gz ZAZDUNJMWMMDFA-QMMMGPOBSA-N -1 0 319.325 -0.381 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)NCCCNC(=O)[O-])cc1 ZINC000739746461 602426959 /nfs/dbraw/zinc/42/69/59/602426959.db2.gz TXEORGHOSUROAO-UHFFFAOYSA-N -1 0 322.321 -0.241 20 0 DBADRM CS(=O)(=O)CCNC(=S)NCC1CCN(C(=O)[O-])CC1 ZINC000739984984 602430578 /nfs/dbraw/zinc/43/05/78/602430578.db2.gz RXRVSITVSVTUPW-UHFFFAOYSA-N -1 0 323.440 -0.115 20 0 DBADRM CS(=O)(=O)CCNC(=S)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000739985646 602430641 /nfs/dbraw/zinc/43/06/41/602430641.db2.gz WCKSQYPNSUTRTH-VIFPVBQESA-N -1 0 323.440 -0.115 20 0 DBADRM C[C@](CNC(=O)[O-])(NC(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 ZINC000738926102 602441050 /nfs/dbraw/zinc/44/10/50/602441050.db2.gz QPODDVCVMGCWCP-CYBMUJFWSA-N -1 0 310.310 -0.499 20 0 DBADRM NC(=O)c1cc(C(=O)NCCNC(=O)[O-])nn1-c1ccccc1 ZINC000740334534 602451129 /nfs/dbraw/zinc/45/11/29/602451129.db2.gz ULEOLAKFFUFIME-UHFFFAOYSA-N -1 0 317.305 -0.031 20 0 DBADRM NC(=O)C(NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C(N)=O ZINC000740323241 602457386 /nfs/dbraw/zinc/45/73/86/602457386.db2.gz HMRREUANMRVNAC-VIFPVBQESA-N -1 0 322.321 -0.769 20 0 DBADRM NC(=O)C(NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C(N)=O ZINC000740323234 602457470 /nfs/dbraw/zinc/45/74/70/602457470.db2.gz HMRREUANMRVNAC-SECBINFHSA-N -1 0 322.321 -0.769 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000736134822 602459547 /nfs/dbraw/zinc/45/95/47/602459547.db2.gz PWZDUXRPXMZHTO-LBPRGKRZSA-N -1 0 314.386 -0.441 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NCCN1CCN(C(C)=O)CC1 ZINC000739531363 602459884 /nfs/dbraw/zinc/45/98/84/602459884.db2.gz NDBINWCFVKEFHW-NSHDSACASA-N -1 0 300.359 -0.687 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000740363621 602461964 /nfs/dbraw/zinc/46/19/64/602461964.db2.gz CNZFLTHZLNEFTN-SNVBAGLBSA-N -1 0 324.337 -0.567 20 0 DBADRM O=C([O-])NCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000740602179 602464405 /nfs/dbraw/zinc/46/44/05/602464405.db2.gz WVYKSGGIKNNLSX-NXEZZACHSA-N -1 0 320.367 -0.551 20 0 DBADRM CC(C)N(CCC(=O)N1CCN(CC(N)=O)CC1)C(=O)[O-] ZINC000738839109 602465335 /nfs/dbraw/zinc/46/53/35/602465335.db2.gz FULBCKWDTYYYEX-UHFFFAOYSA-N -1 0 300.359 -0.606 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCCN(C(N)=O)CC1 ZINC000739999230 602471027 /nfs/dbraw/zinc/47/10/27/602471027.db2.gz QGMFKIXXEZUPQI-SECBINFHSA-N -1 0 318.399 -0.011 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739991798 602471215 /nfs/dbraw/zinc/47/12/15/602471215.db2.gz NQKBKSLACHCOFJ-BDAKNGLRSA-N -1 0 305.356 -0.721 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740357458 602472749 /nfs/dbraw/zinc/47/27/49/602472749.db2.gz WAQPKZKMHVCQOJ-SECBINFHSA-N -1 0 305.356 -0.720 20 0 DBADRM CCN(CCNC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(=O)[O-] ZINC000739420741 602472872 /nfs/dbraw/zinc/47/28/72/602472872.db2.gz NEUMXLRWDCESKI-UHFFFAOYSA-N -1 0 321.337 -0.010 20 0 DBADRM CN(CC(=O)N[C@H]1CCN(C(=O)[O-])C1)c1ncnc2nc[nH]c21 ZINC000739623710 602473811 /nfs/dbraw/zinc/47/38/11/602473811.db2.gz JWGSRARMARLVFI-QMMMGPOBSA-N -1 0 319.325 -0.342 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740029244 602475503 /nfs/dbraw/zinc/47/55/03/602475503.db2.gz AVIGNVSOFVAQKQ-SECBINFHSA-N -1 0 319.321 -0.258 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739990541 602477521 /nfs/dbraw/zinc/47/75/21/602477521.db2.gz HANVWAXDHQXBFA-UWVGGRQHSA-N -1 0 319.383 -0.331 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1)C(=O)[O-] ZINC000739642709 602484954 /nfs/dbraw/zinc/48/49/54/602484954.db2.gz BYJAQKMHGSZLBU-VIFPVBQESA-N -1 0 307.372 -0.664 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1)C(=O)[O-] ZINC000739650266 602485299 /nfs/dbraw/zinc/48/52/99/602485299.db2.gz MWNAMNCYYNAWAS-JTQLQIEISA-N -1 0 324.337 -0.995 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1ccc(=O)[nH]n1 ZINC000739687996 602492514 /nfs/dbraw/zinc/49/25/14/602492514.db2.gz IYBHSJHAHDVQIX-UHFFFAOYSA-N -1 0 309.326 -0.450 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000739621300 602493554 /nfs/dbraw/zinc/49/35/54/602493554.db2.gz AQGZHSOUMOUVBL-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000739724872 602495521 /nfs/dbraw/zinc/49/55/21/602495521.db2.gz SXVHXJIBBNSMPJ-LLVKDONJSA-N -1 0 312.370 -0.781 20 0 DBADRM COC(=O)N(C)CC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739769738 602496753 /nfs/dbraw/zinc/49/67/53/602496753.db2.gz JQCQWORTRIRITE-UHFFFAOYSA-N -1 0 316.358 -0.561 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000739989499 602496973 /nfs/dbraw/zinc/49/69/73/602496973.db2.gz AWPMVUADQDRVOW-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738536788 602498028 /nfs/dbraw/zinc/49/80/28/602498028.db2.gz IGEFTICQIPMPBZ-UHFFFAOYSA-N -1 0 314.386 -0.345 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000739516187 602498130 /nfs/dbraw/zinc/49/81/30/602498130.db2.gz QFEQXHMQCPOMOZ-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)Cc1cnn(C)c1 ZINC000739685658 602498583 /nfs/dbraw/zinc/49/85/83/602498583.db2.gz PQLJVPICELAFDV-UHFFFAOYSA-N -1 0 309.370 -0.283 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000739313083 602500926 /nfs/dbraw/zinc/50/09/26/602500926.db2.gz MHSCSUNIOBBNHQ-VHSXEESVSA-N -1 0 321.399 -0.050 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000736326245 602500931 /nfs/dbraw/zinc/50/09/31/602500931.db2.gz QZQQIAZALUKXNU-MRVPVSSYSA-N -1 0 307.372 -0.440 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000736359699 602500965 /nfs/dbraw/zinc/50/09/65/602500965.db2.gz AQPPREZHXPTSSC-VHSXEESVSA-N -1 0 321.399 -0.194 20 0 DBADRM O=C([O-])NCC1(NC(=O)CC[C@H]2NC(=O)NC2=O)CCCC1 ZINC000740616247 602520097 /nfs/dbraw/zinc/52/00/97/602520097.db2.gz URCGZNSSZZVOJU-MRVPVSSYSA-N -1 0 312.326 -0.329 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)CCCN1C(=O)CNC1=O ZINC000738922336 602525690 /nfs/dbraw/zinc/52/56/90/602525690.db2.gz DTJXQSAPHCDDGY-MRVPVSSYSA-N -1 0 300.315 -0.567 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000738803181 602530057 /nfs/dbraw/zinc/53/00/57/602530057.db2.gz CUVSDDLLUUFBMW-BDAKNGLRSA-N -1 0 314.342 -0.227 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)CN1C(=O)CN(C)C1=O ZINC000738802690 602531626 /nfs/dbraw/zinc/53/16/26/602531626.db2.gz BYZGTICHXJSKMF-VIFPVBQESA-N -1 0 314.342 -0.321 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)o1 ZINC000740341416 602534694 /nfs/dbraw/zinc/53/46/94/602534694.db2.gz SCUUVKAITKUEGQ-ZCFIWIBFSA-N -1 0 303.296 -0.591 20 0 DBADRM CN(C)c1nc(N)nc(CN2CC[C@@H](CN(C)C(=O)[O-])C2)n1 ZINC000739666685 602534853 /nfs/dbraw/zinc/53/48/53/602534853.db2.gz UADCPGYKCHMEIP-VIFPVBQESA-N -1 0 309.374 -0.049 20 0 DBADRM O=C([O-])NCCNC(=O)NCc1nnnn1-c1ccccc1 ZINC000740663225 602545623 /nfs/dbraw/zinc/54/56/23/602545623.db2.gz OVAQFYPAXMCIIC-UHFFFAOYSA-N -1 0 305.298 -0.271 20 0 DBADRM O=C([O-])N1CCCC[C@@H]1C(=O)OCC(=O)N1CCOCC1 ZINC000740718996 602553200 /nfs/dbraw/zinc/55/32/00/602553200.db2.gz BZAVZDUAXPYYDL-SNVBAGLBSA-N -1 0 300.311 -0.079 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)[O-] ZINC000739815001 602563153 /nfs/dbraw/zinc/56/31/53/602563153.db2.gz WQUAEOJNAJDBAQ-SNVBAGLBSA-N -1 0 309.388 -0.069 20 0 DBADRM COCCCS(=O)(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739813454 602563394 /nfs/dbraw/zinc/56/33/94/602563394.db2.gz RTHGOCXRBUEBND-UHFFFAOYSA-N -1 0 323.415 -0.420 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)NC)CC1 ZINC000739241792 602567050 /nfs/dbraw/zinc/56/70/50/602567050.db2.gz ZSKQKFQHCAVYCY-ZYHUDNBSSA-N -1 0 314.386 -0.441 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNC(=S)NCCN1CCOCC1 ZINC000740519920 602567247 /nfs/dbraw/zinc/56/72/47/602567247.db2.gz JLHNMIXMIMYKAR-NSHDSACASA-N -1 0 316.427 -0.075 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN(C(=O)[O-])C2)C[C@@H](C)O1 ZINC000739196760 602568837 /nfs/dbraw/zinc/56/88/37/602568837.db2.gz WDNQZZSNEWIEJJ-BBBLOLIVSA-N -1 0 307.372 -0.318 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)NCCCNC(=O)[O-])CC1 ZINC000739751239 602574335 /nfs/dbraw/zinc/57/43/35/602574335.db2.gz SCIIFCZCKAECDM-UHFFFAOYSA-N -1 0 322.387 -0.633 20 0 DBADRM CCOC(=O)NCC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739476105 602575082 /nfs/dbraw/zinc/57/50/82/602575082.db2.gz IRPPUQWIQJCSIC-UHFFFAOYSA-N -1 0 316.358 -0.514 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CCCn1cncn1 ZINC000739684513 602575872 /nfs/dbraw/zinc/57/58/72/602575872.db2.gz HSQDYHPYDUMEHX-UHFFFAOYSA-N -1 0 324.385 -0.188 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CCS(C)(=O)=O ZINC000739684564 602575882 /nfs/dbraw/zinc/57/58/82/602575882.db2.gz JBETVYINVHNCMS-UHFFFAOYSA-N -1 0 321.399 -0.825 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NCCN2C(=O)CSC2=O)C1 ZINC000740439006 602579363 /nfs/dbraw/zinc/57/93/63/602579363.db2.gz KKCXMOIKOFYAIG-SSDOTTSWSA-N -1 0 316.339 -0.267 20 0 DBADRM COCCn1nc(C(=O)NC[C@@H]2CCCN2C(=O)[O-])ccc1=O ZINC000739843269 602579782 /nfs/dbraw/zinc/57/97/82/602579782.db2.gz RYCWRNHCYYCSAT-JTQLQIEISA-N -1 0 324.337 -0.238 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)[C@@H](O)c2cccnc2)CC1 ZINC000740403500 602589288 /nfs/dbraw/zinc/58/92/88/602589288.db2.gz CEFLWZUSUOXRSH-LBPRGKRZSA-N -1 0 322.321 -0.947 20 0 DBADRM O=C([O-])NC[C@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000740632196 602589601 /nfs/dbraw/zinc/58/96/01/602589601.db2.gz IDLJWRCFACRUAG-SECBINFHSA-N -1 0 312.326 -0.566 20 0 DBADRM O=C(CN1CC(=O)NC1=O)NCC[C@H]1CCCN(C(=O)[O-])C1 ZINC000740369014 602592739 /nfs/dbraw/zinc/59/27/39/602592739.db2.gz NRPGDFOJAYJBQH-SECBINFHSA-N -1 0 312.326 -0.566 20 0 DBADRM O=C([O-])N[C@H]1CCCN([C@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000740573348 602594077 /nfs/dbraw/zinc/59/40/77/602594077.db2.gz FBIITNHUUGNTLT-UWVGGRQHSA-N -1 0 319.321 -0.160 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)NCCS(C)(=O)=O)C1)C(=O)[O-] ZINC000739649145 602596496 /nfs/dbraw/zinc/59/64/96/602596496.db2.gz JDNJMIASDJTBOC-VIFPVBQESA-N -1 0 307.372 -0.328 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000740421357 602596613 /nfs/dbraw/zinc/59/66/13/602596613.db2.gz YXUJADTYOPYSDB-UWVGGRQHSA-N -1 0 319.383 -0.137 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000739515586 602600554 /nfs/dbraw/zinc/60/05/54/602600554.db2.gz NRMHVQRBRNDTLZ-SECBINFHSA-N -1 0 322.387 -0.633 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)N1CCS(=O)(=O)CC1 ZINC000740414595 602602204 /nfs/dbraw/zinc/60/22/04/602602204.db2.gz CILMZCPZZRKUOO-SECBINFHSA-N -1 0 305.356 -0.431 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000738925440 602630852 /nfs/dbraw/zinc/63/08/52/602630852.db2.gz HPVJTYHXGZOINV-QMMMGPOBSA-N -1 0 324.403 -0.388 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000739652920 602608433 /nfs/dbraw/zinc/60/84/33/602608433.db2.gz XHZNJEAGLVOTDY-VHSXEESVSA-N -1 0 319.383 -0.185 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CCO1 ZINC000739757370 602614925 /nfs/dbraw/zinc/61/49/25/602614925.db2.gz XGQWNYHLNRQENU-ZJUUUORDSA-N -1 0 315.326 -0.288 20 0 DBADRM CN(C(=O)NC[C@H]1CCCN1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739575407 602617970 /nfs/dbraw/zinc/61/79/70/602617970.db2.gz IFSFUKIIHASQBR-ZJUUUORDSA-N -1 0 319.383 -0.043 20 0 DBADRM Cc1ncccc1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740237486 602626754 /nfs/dbraw/zinc/62/67/54/602626754.db2.gz SAORPGJJQRXMSE-UHFFFAOYSA-N -1 0 306.322 -0.058 20 0 DBADRM Cn1cc(C(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000740285192 602628982 /nfs/dbraw/zinc/62/89/82/602628982.db2.gz VVXGRCCVRQTAAC-VIFPVBQESA-N -1 0 324.337 -0.004 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NCCCN1C(=O)CCC1=O ZINC000738925858 602629568 /nfs/dbraw/zinc/62/95/68/602629568.db2.gz IWXPUTQUMLXLEY-SECBINFHSA-N -1 0 314.342 -0.177 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NCCCN1C(=O)CNC1=O ZINC000738926710 602630196 /nfs/dbraw/zinc/63/01/96/602630196.db2.gz LVMSSZLUPZPOII-MRVPVSSYSA-N -1 0 315.330 -0.774 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739621556 602634616 /nfs/dbraw/zinc/63/46/16/602634616.db2.gz IWAGYWYNABOSAR-JTQLQIEISA-N -1 0 314.342 -0.761 20 0 DBADRM CN(CCCC(=O)NCCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000737425754 602639482 /nfs/dbraw/zinc/63/94/82/602639482.db2.gz GKWNPYMCXWWRNZ-UHFFFAOYSA-N -1 0 300.315 -0.566 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CCn1ccnn1 ZINC000739684499 602641268 /nfs/dbraw/zinc/64/12/68/602641268.db2.gz HOPBTKNBFJOLIS-UHFFFAOYSA-N -1 0 310.358 -0.578 20 0 DBADRM CS(=O)(=O)NCCC(=O)NCC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739997326 602643525 /nfs/dbraw/zinc/64/35/25/602643525.db2.gz UZZQPHQTTGRKDB-JTQLQIEISA-N -1 0 321.399 -0.178 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000738927739 602645767 /nfs/dbraw/zinc/64/57/67/602645767.db2.gz VBMCBONODBHEEH-MRVPVSSYSA-N -1 0 322.321 -0.162 20 0 DBADRM CN(CCOC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000738003769 602658776 /nfs/dbraw/zinc/65/87/76/602658776.db2.gz ZZQSJOGLLADWRB-PLNGDYQASA-N -1 0 311.294 -0.750 20 0 DBADRM NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COCCNC(=O)[O-] ZINC000740332577 602658995 /nfs/dbraw/zinc/65/89/95/602658995.db2.gz KNJJWIWVZVUDCI-LBPRGKRZSA-N -1 0 321.333 -0.291 20 0 DBADRM O=C([O-])NCCOCC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000740666119 602659505 /nfs/dbraw/zinc/65/95/05/602659505.db2.gz AQERDUSKJKNMCJ-UHFFFAOYSA-N -1 0 313.354 -0.212 20 0 DBADRM CCOC(=O)[C@@H]1CSCCN1C(=O)COCCNC(=O)[O-] ZINC000739476355 602659680 /nfs/dbraw/zinc/65/96/80/602659680.db2.gz QVJDZCJSIGHYOR-VIFPVBQESA-N -1 0 320.367 -0.222 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000739598528 602660347 /nfs/dbraw/zinc/66/03/47/602660347.db2.gz BZTUJGHCQFUJLA-UHFFFAOYSA-N -1 0 302.331 -0.904 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN(C(=O)COCCNC(=O)[O-])C1 ZINC000740292964 602660623 /nfs/dbraw/zinc/66/06/23/602660623.db2.gz BINCAAILUUMDRW-SNVBAGLBSA-N -1 0 311.342 -0.195 20 0 DBADRM NC(=O)NC[C@@H]1CCCN(C(=O)COCCNC(=O)[O-])C1 ZINC000740331070 602661196 /nfs/dbraw/zinc/66/11/96/602661196.db2.gz CYGWLRSZPAVQTF-VIFPVBQESA-N -1 0 302.331 -0.823 20 0 DBADRM O=C([O-])NCCOCC(=O)NCc1ccc(-n2cncn2)nc1 ZINC000740665572 602661264 /nfs/dbraw/zinc/66/12/64/602661264.db2.gz YSQYFNBSIROSAR-UHFFFAOYSA-N -1 0 320.309 -0.437 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC000740663479 602663619 /nfs/dbraw/zinc/66/36/19/602663619.db2.gz IVFWRRZXXYBESF-JTQLQIEISA-N -1 0 314.342 -0.713 20 0 DBADRM CCc1nnc2n1C[C@@H](NC(=O)COCCNC(=O)[O-])CC2 ZINC000739560298 602664527 /nfs/dbraw/zinc/66/45/27/602664527.db2.gz RMBBXTMUAUTBPT-VIFPVBQESA-N -1 0 311.342 -0.444 20 0 DBADRM C[C@H]([C@H](C)NC(=O)COCCNC(=O)[O-])N1CCOCC1 ZINC000738965615 602666051 /nfs/dbraw/zinc/66/60/51/602666051.db2.gz RANLIGFCLFWPGF-WDEREUQCSA-N -1 0 303.359 -0.504 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)COCCNC(=O)[O-] ZINC000740285020 602666178 /nfs/dbraw/zinc/66/61/78/602666178.db2.gz XDTPLCJZFMMENK-UHFFFAOYSA-N -1 0 303.344 -0.953 20 0 DBADRM O=C([O-])NCCOCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000740663047 602666287 /nfs/dbraw/zinc/66/62/87/602666287.db2.gz BXVGVXIXDFEIEK-SNVBAGLBSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000740663117 602667562 /nfs/dbraw/zinc/66/75/62/602667562.db2.gz FOWXMDPJCVJPJF-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000740667320 602667586 /nfs/dbraw/zinc/66/75/86/602667586.db2.gz LFTBJYJLVKOGFQ-NSHDSACASA-N -1 0 312.326 -0.605 20 0 DBADRM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)CNC(=O)[O-])C1 ZINC000738447423 602669107 /nfs/dbraw/zinc/66/91/07/602669107.db2.gz SKQKOGPIOGWUDC-SECBINFHSA-N -1 0 306.322 -0.252 20 0 DBADRM CS(=O)(=O)c1ccc(OCCNC(=O)CNC(=O)[O-])cc1 ZINC000738141416 602676572 /nfs/dbraw/zinc/67/65/72/602676572.db2.gz XSOOVAKNVUZXBI-UHFFFAOYSA-N -1 0 316.335 -0.147 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N[C@@H]2CCCOC2)CC1 ZINC000740440111 602680866 /nfs/dbraw/zinc/68/08/66/602680866.db2.gz PDVNOBIQTXJJDS-LLVKDONJSA-N -1 0 300.359 -0.240 20 0 DBADRM CC[C@H](O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000739262751 602682736 /nfs/dbraw/zinc/68/27/36/602682736.db2.gz BLRGFPGMXUDAIB-WDEREUQCSA-N -1 0 317.411 -0.046 20 0 DBADRM CCOC[C@@H](O)CN1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000737162186 602683366 /nfs/dbraw/zinc/68/33/66/602683366.db2.gz OANDYADXIJOWEP-NSHDSACASA-N -1 0 317.386 -0.426 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)C2CCN(C(=O)[O-])CC2)C1 ZINC000740342530 602690172 /nfs/dbraw/zinc/69/01/72/602690172.db2.gz OYWIGGHKZQWJFB-VIFPVBQESA-N -1 0 305.356 -0.734 20 0 DBADRM NC(=O)Cn1ccc(NC(=O)c2csc(CNC(=O)[O-])n2)n1 ZINC000740334014 602700375 /nfs/dbraw/zinc/70/03/75/602700375.db2.gz XGCXQQOUJYAYIU-UHFFFAOYSA-N -1 0 324.322 -0.155 20 0 DBADRM NS(=O)(=O)CCCNC(=O)c1csc(CNC(=O)[O-])n1 ZINC000740340550 602709060 /nfs/dbraw/zinc/70/90/60/602709060.db2.gz FKCBLJAFMSSMMW-UHFFFAOYSA-N -1 0 322.368 -0.681 20 0 DBADRM CCN(CCCNC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC000739418304 602720026 /nfs/dbraw/zinc/72/00/26/602720026.db2.gz ZLZKJJYQUNPYDJ-UHFFFAOYSA-N -1 0 322.325 -0.603 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739984238 602727054 /nfs/dbraw/zinc/72/70/54/602727054.db2.gz QOKKVACIOFADAW-SECBINFHSA-N -1 0 307.372 -0.280 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)C1CCN(C(=O)[O-])CC1 ZINC000737857289 602728678 /nfs/dbraw/zinc/72/86/78/602728678.db2.gz FMXRKWKSOOJFOX-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000736331712 602728826 /nfs/dbraw/zinc/72/88/26/602728826.db2.gz ODZJIBINAWIBJV-UHFFFAOYSA-N -1 0 321.399 -0.132 20 0 DBADRM CC1(CNC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)COC1 ZINC000739067507 602738159 /nfs/dbraw/zinc/73/81/59/602738159.db2.gz AYGDJNZVVZSPRS-UHFFFAOYSA-N -1 0 314.342 -0.856 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CCN(C(=O)[O-])C[C@H]1C ZINC000739809001 602739445 /nfs/dbraw/zinc/73/94/45/602739445.db2.gz WMQPLMAMGIGYBY-NXEZZACHSA-N -1 0 316.358 -0.469 20 0 DBADRM O=C(CN1CCCS1(=O)=O)OC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740370068 602745888 /nfs/dbraw/zinc/74/58/88/602745888.db2.gz SSVYMBYEJVUWIW-SNVBAGLBSA-N -1 0 320.367 -0.045 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000739151691 602745966 /nfs/dbraw/zinc/74/59/66/602745966.db2.gz IERXSDJCVJTMMX-VHSXEESVSA-N -1 0 319.383 -0.185 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@H]1CN(C)CCO1 ZINC000739155036 602749708 /nfs/dbraw/zinc/74/97/08/602749708.db2.gz RLQBMOVTHYSQDA-QWRGUYRKSA-N -1 0 300.359 -0.289 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H](C)N1C(=O)[O-] ZINC000739136633 602751908 /nfs/dbraw/zinc/75/19/08/602751908.db2.gz RPVWXWGONFXUQN-DTORHVGOSA-N -1 0 312.326 -0.473 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)[C@H](CNC(=O)[O-])c2ccccc2)CCO1 ZINC000831177978 602775613 /nfs/dbraw/zinc/77/56/13/602775613.db2.gz CMIBZYVITUSBKT-VXGBXAGGSA-N -1 0 321.333 -0.250 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000827476150 602777426 /nfs/dbraw/zinc/77/74/26/602777426.db2.gz UMWHPKHDIIBEIR-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CC(C)(CCC(=O)N1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000738744056 602786028 /nfs/dbraw/zinc/78/60/28/602786028.db2.gz RJPMPMLGTLWVGO-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM COC1(C(=O)NCc2nnc(C)n2C)CCN(C(=O)[O-])CC1 ZINC000739796961 602789686 /nfs/dbraw/zinc/78/96/86/602789686.db2.gz IRQWFKLWRYLRDV-UHFFFAOYSA-N -1 0 311.342 -0.101 20 0 DBADRM CC(C)(CNC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O ZINC000738753001 602800953 /nfs/dbraw/zinc/80/09/53/602800953.db2.gz TWPUWSFQOSTFHN-UHFFFAOYSA-N -1 0 316.401 -0.613 20 0 DBADRM C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825466572 602801444 /nfs/dbraw/zinc/80/14/44/602801444.db2.gz TVFXHOPVPWXXCK-BDAKNGLRSA-N -1 0 324.341 -0.728 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)CCC(C)(C)NC(=O)[O-] ZINC000739517552 602801841 /nfs/dbraw/zinc/80/18/41/602801841.db2.gz YOKBJNNJSUUGNK-UHFFFAOYSA-N -1 0 309.388 -0.132 20 0 DBADRM CN(CC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-])S(C)(=O)=O ZINC000739624034 602808238 /nfs/dbraw/zinc/80/82/38/602808238.db2.gz KKCPJCQMAMISBE-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H](C)N1C(=O)[O-] ZINC000739128517 602809195 /nfs/dbraw/zinc/80/91/95/602809195.db2.gz WGWVZILCVLRGOK-UWVGGRQHSA-N -1 0 324.337 -0.474 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)CCNC(=O)[O-])c1 ZINC000738446709 602810078 /nfs/dbraw/zinc/81/00/78/602810078.db2.gz NRRNIEHVHDCXKG-UHFFFAOYSA-N -1 0 319.314 -0.253 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)CCC(C)(C)NC(=O)[O-])n1 ZINC000739750132 602813767 /nfs/dbraw/zinc/81/37/67/602813767.db2.gz RCHXUDZIOFPZPJ-UHFFFAOYSA-N -1 0 312.330 -0.211 20 0 DBADRM C[C@H]1CN(C(=O)NCCNS(C)(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739141654 602815900 /nfs/dbraw/zinc/81/59/00/602815900.db2.gz QEUCXXUORZWEJO-IUCAKERBSA-N -1 0 322.387 -0.777 20 0 DBADRM Cn1ccc(N2CCC[C@H](NC(=O)CCNC(=O)[O-])C2=O)n1 ZINC000738410627 602817951 /nfs/dbraw/zinc/81/79/51/602817951.db2.gz HYDXICPUKFAOBG-VIFPVBQESA-N -1 0 309.326 -0.311 20 0 DBADRM C[C@@H]1CN(C(=O)NCCS(C)(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739135743 602826249 /nfs/dbraw/zinc/82/62/49/602826249.db2.gz CUSLTWMFHBZBFN-BDAKNGLRSA-N -1 0 307.372 -0.281 20 0 DBADRM C[C@H](NC(=O)CN1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1)C(=O)N(C)C ZINC000738961013 602827985 /nfs/dbraw/zinc/82/79/85/602827985.db2.gz KITJXHWUHQYSLR-AXFHLTTASA-N -1 0 314.386 -0.348 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)NCCNC(=O)[O-])C1 ZINC000739984787 602830090 /nfs/dbraw/zinc/83/00/90/602830090.db2.gz RZABYESNFNRZQK-RKDXNWHRSA-N -1 0 307.372 -0.091 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)NCCNC(=O)[O-])C1 ZINC000739984784 602830139 /nfs/dbraw/zinc/83/01/39/602830139.db2.gz RZABYESNFNRZQK-DTWKUNHWSA-N -1 0 307.372 -0.091 20 0 DBADRM CCNC(=O)N1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739458744 602831934 /nfs/dbraw/zinc/83/19/34/602831934.db2.gz DYLWLTQDQYQGLH-SNVBAGLBSA-N -1 0 314.342 -0.761 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])NCc1nnc2n1CCC2 ZINC000740365120 602835947 /nfs/dbraw/zinc/83/59/47/602835947.db2.gz KKVHREQMFXWKNC-SNVBAGLBSA-N -1 0 323.353 -0.001 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)CCC(C)(C)NC(=O)[O-] ZINC000739466534 602836258 /nfs/dbraw/zinc/83/62/58/602836258.db2.gz SFTCTCWPFFWVET-UHFFFAOYSA-N -1 0 309.388 -0.132 20 0 DBADRM CC(=O)NCCCNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000738555969 602837911 /nfs/dbraw/zinc/83/79/11/602837911.db2.gz PAECUKAIEDUTHF-LLVKDONJSA-N -1 0 301.343 -0.212 20 0 DBADRM C[C@@H](CC(=O)N1CCC(CS(N)(=O)=O)CC1)NC(=O)[O-] ZINC000824574075 602838983 /nfs/dbraw/zinc/83/89/83/602838983.db2.gz XGZGQAHMCAYCEA-QMMMGPOBSA-N -1 0 307.372 -0.440 20 0 DBADRM C[C@H](CC(=O)N1CCC(CS(N)(=O)=O)CC1)NC(=O)[O-] ZINC000824574074 602839003 /nfs/dbraw/zinc/83/90/03/602839003.db2.gz XGZGQAHMCAYCEA-MRVPVSSYSA-N -1 0 307.372 -0.440 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000740353377 602839419 /nfs/dbraw/zinc/83/94/19/602839419.db2.gz XNVMMGHPDMQFSC-SNVBAGLBSA-N -1 0 300.311 -0.269 20 0 DBADRM COCCN(CC(=O)N1CCS(=O)(=O)[C@H](C)C1)C(=O)[O-] ZINC000739821862 602842213 /nfs/dbraw/zinc/84/22/13/602842213.db2.gz GWLPYHNVEDZYCK-SECBINFHSA-N -1 0 308.356 -0.742 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000740664085 602845804 /nfs/dbraw/zinc/84/58/04/602845804.db2.gz UWYUDMFIQANOKN-NSHDSACASA-N -1 0 311.342 -0.199 20 0 DBADRM COC1(C(=O)N(C)[C@@H]2CCN(C)C2=O)CCN(C(=O)[O-])CC1 ZINC000739799109 602850716 /nfs/dbraw/zinc/85/07/16/602850716.db2.gz RSAHEOKTVUADNA-SNVBAGLBSA-N -1 0 313.354 -0.166 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)NCCN1C(=O)CNC1=O ZINC000740011847 602850878 /nfs/dbraw/zinc/85/08/78/602850878.db2.gz XLWAXAXOKGUVRV-ZETCQYMHSA-N -1 0 318.355 -0.956 20 0 DBADRM CC(C)N(CCCNC(=O)c1cn(CC(N)=O)nn1)C(=O)[O-] ZINC000824346615 602850902 /nfs/dbraw/zinc/85/09/02/602850902.db2.gz KYOPXZCOBYAPPG-UHFFFAOYSA-N -1 0 312.330 -0.728 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000738946780 602851232 /nfs/dbraw/zinc/85/12/32/602851232.db2.gz UANCPJXQISEVHR-WDEREUQCSA-N -1 0 311.342 -0.058 20 0 DBADRM CC(C)(CNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C(N)=O ZINC000738746758 602851245 /nfs/dbraw/zinc/85/12/45/602851245.db2.gz LNTFARPXOCJSMI-SECBINFHSA-N -1 0 301.343 -0.227 20 0 DBADRM CC[C@@H](C)NC(=O)CCNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739247266 602853352 /nfs/dbraw/zinc/85/33/52/602853352.db2.gz VDLPTLRZPCDKMO-NXEZZACHSA-N -1 0 301.343 -0.214 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)CCCN(C)C(=O)[O-])C1 ZINC000737553552 602854682 /nfs/dbraw/zinc/85/46/82/602854682.db2.gz SKGZCKLTUROSCR-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000739751702 602855388 /nfs/dbraw/zinc/85/53/88/602855388.db2.gz VCOWGIDRPLVSJB-NXEZZACHSA-N -1 0 319.383 -0.331 20 0 DBADRM COC(=O)N1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739774819 602856204 /nfs/dbraw/zinc/85/62/04/602856204.db2.gz HDDRQRUFTHVXDY-VIFPVBQESA-N -1 0 301.299 -0.724 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N[C@H](C)CS(C)(=O)=O ZINC000740015194 602857483 /nfs/dbraw/zinc/85/74/83/602857483.db2.gz FIBLBJNBEZQMDZ-HTQZYQBOSA-N -1 0 312.413 -0.075 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CCC(NC(=O)[O-])CC2)C1=O ZINC000739810928 602860320 /nfs/dbraw/zinc/86/03/20/602860320.db2.gz MWBVNAVFBPTOTB-ZDUSSCGKSA-N -1 0 314.342 -0.367 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CC[C@@H](CNC(=O)[O-])C2)C1=O ZINC000739812075 602861891 /nfs/dbraw/zinc/86/18/91/602861891.db2.gz SANVLWBKYAZPJV-TVQRCGJNSA-N -1 0 314.342 -0.510 20 0 DBADRM CC(C)N1C(=O)C(=O)N(CN2CCN(C(=O)[O-])C[C@H]2C)C1=O ZINC000739153673 602862567 /nfs/dbraw/zinc/86/25/67/602862567.db2.gz IFIPWJGMTUKHHL-SECBINFHSA-N -1 0 312.326 -0.173 20 0 DBADRM COC(=O)N1CCC(NC(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739769324 602863157 /nfs/dbraw/zinc/86/31/57/602863157.db2.gz BSCNMRCCRISNOR-JTQLQIEISA-N -1 0 315.326 -0.288 20 0 DBADRM O=C([O-])N1CCCC[C@@H](NS(=O)(=O)N2CCOCC2)C1 ZINC000740518109 602868234 /nfs/dbraw/zinc/86/82/34/602868234.db2.gz JITVNSGDOCXTIN-SNVBAGLBSA-N -1 0 307.372 -0.315 20 0 DBADRM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739244288 602868542 /nfs/dbraw/zinc/86/85/42/602868542.db2.gz JRRZPAQRUFYNJA-IVZWLZJFSA-N -1 0 301.343 -0.215 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOCC2)C[C@@H](C)N1C(=O)[O-] ZINC000739188669 602870565 /nfs/dbraw/zinc/87/05/65/602870565.db2.gz GRVKQQDGCASKCG-NXEZZACHSA-N -1 0 307.372 -0.364 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739475089 602870808 /nfs/dbraw/zinc/87/08/08/602870808.db2.gz JDCKGDUGDROIEO-VIFPVBQESA-N -1 0 308.356 -0.141 20 0 DBADRM C[C@H]1CN(CCNC(=O)[C@H]2COCCN2C(=O)[O-])CCO1 ZINC000739182103 602876611 /nfs/dbraw/zinc/87/66/11/602876611.db2.gz MERXGAPADVKWTN-WDEREUQCSA-N -1 0 301.343 -0.798 20 0 DBADRM Cc1nnc2n1C[C@@H](NC(=O)[C@H]1COCCN1C(=O)[O-])CC2 ZINC000740250612 602877454 /nfs/dbraw/zinc/87/74/54/602877454.db2.gz CSWHRIQLETWGPY-VHSXEESVSA-N -1 0 309.326 -0.604 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)CN(CCOC)C(=O)[O-])C1 ZINC000739454740 602879873 /nfs/dbraw/zinc/87/98/73/602879873.db2.gz HJBQNYIGPURSLK-NSHDSACASA-N -1 0 303.359 -0.550 20 0 DBADRM COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000739775504 602883260 /nfs/dbraw/zinc/88/32/60/602883260.db2.gz XWGXHRMEHDOVDX-ZJUUUORDSA-N -1 0 300.311 -0.223 20 0 DBADRM NC(=O)CC[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000740330235 602883473 /nfs/dbraw/zinc/88/34/73/602883473.db2.gz ZKKLVESFWJOUJZ-QWRGUYRKSA-N -1 0 313.354 -0.131 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CCS1(=O)=O ZINC000739139393 602884235 /nfs/dbraw/zinc/88/42/35/602884235.db2.gz UGGAJJJATPSALL-VHSXEESVSA-N -1 0 319.383 -0.043 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CCS1(=O)=O ZINC000739139396 602884719 /nfs/dbraw/zinc/88/47/19/602884719.db2.gz UGGAJJJATPSALL-ZJUUUORDSA-N -1 0 319.383 -0.043 20 0 DBADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CCNC(=O)C1 ZINC000739980395 602885117 /nfs/dbraw/zinc/88/51/17/602885117.db2.gz UPKDLHFYLJWQGQ-LBPRGKRZSA-N -1 0 307.306 -0.038 20 0 DBADRM CC1(C)COCCN1CCNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739062984 602885372 /nfs/dbraw/zinc/88/53/72/602885372.db2.gz FPIQBWJOFBRSJK-NSHDSACASA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CCS1(=O)=O ZINC000736810194 602885532 /nfs/dbraw/zinc/88/55/32/602885532.db2.gz JNUABQHTNLWRBF-VHSXEESVSA-N -1 0 319.383 -0.043 20 0 DBADRM CC[C@@H](COC)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739258632 602888125 /nfs/dbraw/zinc/88/81/25/602888125.db2.gz VVTBVJOGJZBHKE-JTQLQIEISA-N -1 0 316.358 -0.467 20 0 DBADRM CCc1nnc2n1CCN(C(=O)[C@H]1COCCN1C(=O)[O-])C2 ZINC000739558120 602891894 /nfs/dbraw/zinc/89/18/94/602891894.db2.gz LPMJBOKKJKIUKD-SECBINFHSA-N -1 0 309.326 -0.439 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)CC1SC(=N)NC1=O ZINC000826020507 602900654 /nfs/dbraw/zinc/90/06/54/602900654.db2.gz NARDDEPALRBHTR-BQBZGAKWSA-N -1 0 300.340 -0.246 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000740349598 602901875 /nfs/dbraw/zinc/90/18/75/602901875.db2.gz NZXNYXARGQOTRB-NWDGAFQWSA-N -1 0 324.337 -0.511 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000740349597 602901956 /nfs/dbraw/zinc/90/19/56/602901956.db2.gz NZXNYXARGQOTRB-NEPJUHHUSA-N -1 0 324.337 -0.511 20 0 DBADRM C[C@H](CCO)NC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000738907182 602906339 /nfs/dbraw/zinc/90/63/39/602906339.db2.gz LYSDSGNYFUNFRS-LLVKDONJSA-N -1 0 302.375 -0.258 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739518348 602906973 /nfs/dbraw/zinc/90/69/73/602906973.db2.gz YOWVDRJWCIZZFF-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739040870 602907147 /nfs/dbraw/zinc/90/71/47/602907147.db2.gz WWBKFCXTYUODJG-HRDYMLBCSA-N -1 0 307.372 -0.477 20 0 DBADRM CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])CC2 ZINC000739558783 602908502 /nfs/dbraw/zinc/90/85/02/602908502.db2.gz VBHLJXQCXGLKHG-ZJUUUORDSA-N -1 0 323.353 -0.350 20 0 DBADRM CCN1CCO[C@H](CNC(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000739453971 602909604 /nfs/dbraw/zinc/90/96/04/602909604.db2.gz BTXNQNOCCITXBV-GHMZBOCLSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@@H](CNC(=O)NCCN(C)C(=O)[O-])CN1CCOCC1 ZINC000738921246 602912614 /nfs/dbraw/zinc/91/26/14/602912614.db2.gz SWUZUYWZVOMEDL-NSHDSACASA-N -1 0 302.375 -0.136 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)[C@H]2COCCN2C(=O)[O-])CCO1 ZINC000739475595 602917374 /nfs/dbraw/zinc/91/73/74/602917374.db2.gz OERGSZLZPPQPTF-ZJUUUORDSA-N -1 0 316.310 -0.844 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000738758452 602918270 /nfs/dbraw/zinc/91/82/70/602918270.db2.gz UZVVKDLOJUTXJJ-QMMMGPOBSA-N -1 0 307.372 -0.523 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCCOC[C@@H]1CCOC1 ZINC000740429272 602918261 /nfs/dbraw/zinc/91/82/61/602918261.db2.gz DQWAZRCTYOFBDN-NWDGAFQWSA-N -1 0 316.354 -0.075 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])C1 ZINC000831244611 602919181 /nfs/dbraw/zinc/91/91/81/602919181.db2.gz AONFFVLGXKRJFK-DTWKUNHWSA-N -1 0 305.356 -0.592 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000831247226 602924848 /nfs/dbraw/zinc/92/48/48/602924848.db2.gz XHOCOQRXJPWUSB-ZJUUUORDSA-N -1 0 319.383 -0.202 20 0 DBADRM O=C([O-])NCCNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000740662112 602928292 /nfs/dbraw/zinc/92/82/92/602928292.db2.gz GMUPHTSTSLIAIZ-UHFFFAOYSA-N -1 0 313.335 -0.482 20 0 DBADRM CC(C)(CCC(=O)O[C@@H]1CC(=O)N(CC(N)=O)C1)NC(=O)[O-] ZINC000738746506 602928350 /nfs/dbraw/zinc/92/83/50/602928350.db2.gz XASFGOVXURKIDJ-MRVPVSSYSA-N -1 0 315.326 -0.558 20 0 DBADRM CC(=O)N1CCC(COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000738519975 602934882 /nfs/dbraw/zinc/93/48/82/602934882.db2.gz DJSQVSCOASQFAQ-NWDGAFQWSA-N -1 0 314.338 -0.099 20 0 DBADRM CC(C)[C@@H](O)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000738796225 602935850 /nfs/dbraw/zinc/93/58/50/602935850.db2.gz CHNQZXISKIIESG-NSHDSACASA-N -1 0 302.375 -0.402 20 0 DBADRM O=C(COC(=O)[C@@H]1CCCN1C(=O)[O-])NC1CCOCC1 ZINC000740381988 602935868 /nfs/dbraw/zinc/93/58/68/602935868.db2.gz KXUHHJBXCUUKHL-JTQLQIEISA-N -1 0 300.311 -0.033 20 0 DBADRM C[C@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CCN1C(=O)[O-] ZINC000739129651 602951541 /nfs/dbraw/zinc/95/15/41/602951541.db2.gz AACLAFQBNUNPGM-QMMMGPOBSA-N -1 0 312.326 -0.473 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)CN(CC2CC2)C(=O)[O-])C1 ZINC000829686963 602954862 /nfs/dbraw/zinc/95/48/62/602954862.db2.gz HOSJDWBFBHIRMQ-JTQLQIEISA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739071452 602955663 /nfs/dbraw/zinc/95/56/63/602955663.db2.gz ALYYIWQGOFEDRY-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM COC1(C(=O)N2CCNC(=O)C[C@H]2C)CCN(C(=O)[O-])CC1 ZINC000739798817 602956582 /nfs/dbraw/zinc/95/65/82/602956582.db2.gz KWWCAPCHHBOZMR-SNVBAGLBSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000737933096 602956861 /nfs/dbraw/zinc/95/68/61/602956861.db2.gz FPRZYYUZOBMYST-UHFFFAOYSA-N -1 0 324.337 -0.702 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CCO1 ZINC000823580445 602958881 /nfs/dbraw/zinc/95/88/81/602958881.db2.gz SCEDBZCLJUMTBM-NWDGAFQWSA-N -1 0 313.354 -0.118 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)CN(CC2CC2)C(=O)[O-])CCO1 ZINC000823580275 602959082 /nfs/dbraw/zinc/95/90/82/602959082.db2.gz QNDFMTJHXVNCDT-LBPRGKRZSA-N -1 0 313.354 -0.260 20 0 DBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739614302 602963456 /nfs/dbraw/zinc/96/34/56/602963456.db2.gz FIXDGOCJJBIGGC-SECBINFHSA-N -1 0 323.371 -0.732 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C2(NC(=O)[O-])CCCC2)C1 ZINC000739991865 602963705 /nfs/dbraw/zinc/96/37/05/602963705.db2.gz OISXXFYHTIIMNQ-SECBINFHSA-N -1 0 319.383 -0.283 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000739991169 602963786 /nfs/dbraw/zinc/96/37/86/602963786.db2.gz KWVHKHNZWYCFNX-DTWKUNHWSA-N -1 0 305.356 -0.721 20 0 DBADRM C[C@@H](CCNC(=O)N1CC[C@H](NS(C)(=O)=O)C1)NC(=O)[O-] ZINC000738906835 602968373 /nfs/dbraw/zinc/96/83/73/602968373.db2.gz PGUZESXMEUOJOJ-IUCAKERBSA-N -1 0 322.387 -0.634 20 0 DBADRM Cn1cc(C(=O)NCCCN(C(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000740284583 602970486 /nfs/dbraw/zinc/97/04/86/602970486.db2.gz NVZIPERVQIBJNP-UHFFFAOYSA-N -1 0 324.337 -0.654 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)CC(C)(C)NC(=O)[O-] ZINC000738860444 602974661 /nfs/dbraw/zinc/97/46/61/602974661.db2.gz OGXWZGWHQNEGHG-UHFFFAOYSA-N -1 0 309.388 -0.133 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])C1=O ZINC000739723704 602977184 /nfs/dbraw/zinc/97/71/84/602977184.db2.gz NMSPBIOAEVMCJO-RKDXNWHRSA-N -1 0 312.326 -0.567 20 0 DBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC000740657425 602977224 /nfs/dbraw/zinc/97/72/24/602977224.db2.gz BBMZBYNNYSYKLS-SNVBAGLBSA-N -1 0 323.353 -0.425 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])C1=O ZINC000739723696 602977272 /nfs/dbraw/zinc/97/72/72/602977272.db2.gz NMSPBIOAEVMCJO-BDAKNGLRSA-N -1 0 312.326 -0.567 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@@H]3CCC[C@H]3NC(=O)[O-])C2)C1=O ZINC000739725990 602978836 /nfs/dbraw/zinc/97/88/36/602978836.db2.gz CDXIMMNRTWKZSQ-NUPCCRGMSA-N -1 0 324.337 -0.425 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@H]3CCC[C@H]3NC(=O)[O-])C2)C1=O ZINC000739725993 602978907 /nfs/dbraw/zinc/97/89/07/602978907.db2.gz CDXIMMNRTWKZSQ-QIBSRJKCSA-N -1 0 324.337 -0.425 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739515110 602980242 /nfs/dbraw/zinc/98/02/42/602980242.db2.gz LRBHIUIIMXAWJP-BDAKNGLRSA-N -1 0 307.372 -0.522 20 0 DBADRM C[C@@](CNC(=O)[O-])(NC(=O)CN1CCC(=O)NC1=O)C1CC1 ZINC000738924897 602982787 /nfs/dbraw/zinc/98/27/87/602982787.db2.gz KMVMAUIPKMVSAB-ZDUSSCGKSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])NC[C@@H](NC(=S)NCCN1CCOCC1)C1CC1 ZINC000740613455 602982763 /nfs/dbraw/zinc/98/27/63/602982763.db2.gz RUCWWSUKJLUSDI-LLVKDONJSA-N -1 0 316.427 -0.171 20 0 DBADRM COc1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cn1 ZINC000739923494 602983570 /nfs/dbraw/zinc/98/35/70/602983570.db2.gz SGHLUSSORBEZSE-UHFFFAOYSA-N -1 0 308.294 -0.149 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])C[C@@H]1C ZINC000739044928 602985477 /nfs/dbraw/zinc/98/54/77/602985477.db2.gz IPUSAMVRTFEPKG-HBNTYKKESA-N -1 0 317.411 -0.047 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NCCCN1C(=O)CNC1=O ZINC000740573230 602991886 /nfs/dbraw/zinc/99/18/86/602991886.db2.gz TYPVQZJYAIJLFH-RKDXNWHRSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC000740625639 602993562 /nfs/dbraw/zinc/99/35/62/602993562.db2.gz LPDPQASNOQHANC-RKDXNWHRSA-N -1 0 312.326 -0.519 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000829672785 602993902 /nfs/dbraw/zinc/99/39/02/602993902.db2.gz CZORGVKRZVZHTP-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM CN(Cc1cscn1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739716846 602996698 /nfs/dbraw/zinc/99/66/98/602996698.db2.gz MMVXEUBKOOQWBQ-UHFFFAOYSA-N -1 0 312.351 -0.076 20 0 DBADRM CC[C@@](C)(NC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)OC ZINC000739219972 602997559 /nfs/dbraw/zinc/99/75/59/602997559.db2.gz SXGHVQCJXRLADP-CYBMUJFWSA-N -1 0 315.326 -0.734 20 0 DBADRM Cc1cnc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)s1 ZINC000740196782 602998285 /nfs/dbraw/zinc/99/82/85/602998285.db2.gz QRSPXQVISJJSKN-UHFFFAOYSA-N -1 0 312.351 -0.110 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@@H]1CC(=O)N(CC(N)=O)C1 ZINC000736425103 602998832 /nfs/dbraw/zinc/99/88/32/602998832.db2.gz JYQKUBLMIADPPA-BDAKNGLRSA-N -1 0 315.326 -0.702 20 0 DBADRM NC(=O)CSCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000740330273 602999744 /nfs/dbraw/zinc/99/97/44/602999744.db2.gz AYNNVKPHBAAVTJ-CBLAIPOGSA-N -1 0 301.368 -0.006 20 0 DBADRM CCOC(=O)C(C)(C)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739467000 603000795 /nfs/dbraw/zinc/00/07/95/603000795.db2.gz UUDCINVFSQVZAB-UHFFFAOYSA-N -1 0 315.326 -0.734 20 0 DBADRM C[C@H]1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CCN1C(=O)[O-] ZINC000825996670 603002513 /nfs/dbraw/zinc/00/25/13/603002513.db2.gz PMDIUTLKTPGYDY-DTWKUNHWSA-N -1 0 305.356 -0.433 20 0 DBADRM C[C@H]1CN(C(=O)NCCN2CCOCC2)CCN1C(=O)[O-] ZINC000826002256 603002441 /nfs/dbraw/zinc/00/24/41/603002441.db2.gz PYUBOQPUQYSEQZ-NSHDSACASA-N -1 0 300.359 -0.288 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000832465622 603003181 /nfs/dbraw/zinc/00/31/81/603003181.db2.gz HERNQCSJTDZEIO-AEJSXWLSSA-N -1 0 319.383 -0.091 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000740731614 603009416 /nfs/dbraw/zinc/00/94/16/603009416.db2.gz WQWFLVXIXHUFMC-PBINXNQUSA-N -1 0 324.337 -0.282 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000832550986 603009844 /nfs/dbraw/zinc/00/98/44/603009844.db2.gz GSIFSTIREUOPRN-BDAKNGLRSA-N -1 0 305.356 -0.385 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)C2CCN(C(=O)[O-])CC2)CCO1 ZINC000737545263 603013738 /nfs/dbraw/zinc/01/37/38/603013738.db2.gz BBPZOEQQTDIOBR-GFCCVEGCSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)[O-])CCO1 ZINC000738550606 603014028 /nfs/dbraw/zinc/01/40/28/603014028.db2.gz LXRDYMKHEOBHDV-RYUDHWBXSA-N -1 0 313.354 -0.118 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000739532184 603014779 /nfs/dbraw/zinc/01/47/79/603014779.db2.gz VTHSZMJTNYPEGE-UWVGGRQHSA-N -1 0 309.326 -0.312 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000739308122 603014903 /nfs/dbraw/zinc/01/49/03/603014903.db2.gz CFPVYIVUEUQYKF-WDEREUQCSA-N -1 0 301.343 -0.214 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)[O-])C2=O)cn1 ZINC000740289409 603015389 /nfs/dbraw/zinc/01/53/89/603015389.db2.gz IASJVOITXQYOME-GHMZBOCLSA-N -1 0 321.337 -0.216 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000740348089 603015911 /nfs/dbraw/zinc/01/59/11/603015911.db2.gz KVYJJVHZLNSCMN-QWRGUYRKSA-N -1 0 315.395 -0.028 20 0 DBADRM CC(C)(CC(=O)NC1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000738732487 603016344 /nfs/dbraw/zinc/01/63/44/603016344.db2.gz LWBKOIZJFVOZHQ-UHFFFAOYSA-N -1 0 321.399 -0.037 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000740561524 603017119 /nfs/dbraw/zinc/01/71/19/603017119.db2.gz CWSWUKWQURTVQD-IUCAKERBSA-N -1 0 324.337 -0.377 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000740561521 603017247 /nfs/dbraw/zinc/01/72/47/603017247.db2.gz CWSWUKWQURTVQD-DTWKUNHWSA-N -1 0 324.337 -0.377 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC(C)(C)O1 ZINC000739129693 603018799 /nfs/dbraw/zinc/01/87/99/603018799.db2.gz ALFMDFHSVKSZLM-SNVBAGLBSA-N -1 0 313.354 -0.166 20 0 DBADRM CC(C)CCOCCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738823938 603019984 /nfs/dbraw/zinc/01/99/84/603019984.db2.gz XDZGGHSNFWBPDF-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)CC(C)(C)NC(=O)[O-])CC1 ZINC000738523265 603021083 /nfs/dbraw/zinc/02/10/83/603021083.db2.gz IFKYRXQAZHPJTK-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM CCN(CC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)C(=O)[O-] ZINC000739389962 603023537 /nfs/dbraw/zinc/02/35/37/603023537.db2.gz LLYFWSCPYXITOG-VIFPVBQESA-N -1 0 322.387 -0.982 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000738754853 603023550 /nfs/dbraw/zinc/02/35/50/603023550.db2.gz WKNIIXVIBYZDRH-QMMMGPOBSA-N -1 0 322.387 -0.936 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000739522833 603023666 /nfs/dbraw/zinc/02/36/66/603023666.db2.gz FURPRYAFNJYSPX-BDAKNGLRSA-N -1 0 322.387 -0.936 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CC(n3cccn3)C2)C(=O)C1 ZINC000740527984 603025161 /nfs/dbraw/zinc/02/51/61/603025161.db2.gz XSRDYEDTPAEXQC-UHFFFAOYSA-N -1 0 307.310 -0.911 20 0 DBADRM O=C([O-])N1CCC[C@H](C(=O)N2CCO[C@@H](Cn3cncn3)C2)C1 ZINC000738642955 603027025 /nfs/dbraw/zinc/02/70/25/603027025.db2.gz UVTDSHBSQKRSMA-NWDGAFQWSA-N -1 0 323.353 -0.105 20 0 DBADRM CCc1cc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)n[nH]1 ZINC000739536999 603028270 /nfs/dbraw/zinc/02/82/70/603028270.db2.gz YKACCFZPSOFAII-UHFFFAOYSA-N -1 0 309.326 -0.590 20 0 DBADRM CCOC(=O)CCN(C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739476837 603028294 /nfs/dbraw/zinc/02/82/94/603028294.db2.gz WFWGYONTBUCCGF-UHFFFAOYSA-N -1 0 315.326 -0.780 20 0 DBADRM CC[C@@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C[C@H](C)O1 ZINC000739263691 603028405 /nfs/dbraw/zinc/02/84/05/603028405.db2.gz DRPPSLPKHNUXHO-WDEREUQCSA-N -1 0 313.354 -0.166 20 0 DBADRM COC(=O)[C@@H](C)CN(C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739760028 603029060 /nfs/dbraw/zinc/02/90/60/603029060.db2.gz RODNDVIHIXYCQJ-VIFPVBQESA-N -1 0 315.326 -0.924 20 0 DBADRM COCC1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739809731 603029412 /nfs/dbraw/zinc/02/94/12/603029412.db2.gz GKYUKJVGYBLJFT-UHFFFAOYSA-N -1 0 313.354 -0.306 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000740366624 603029424 /nfs/dbraw/zinc/02/94/24/603029424.db2.gz CRWPFJOPYFZEAI-SNVBAGLBSA-N -1 0 321.337 -0.795 20 0 DBADRM CCn1cc(CN(C)C(=O)CN2CCN(C(=O)[O-])CC2=O)cn1 ZINC000739562364 603030613 /nfs/dbraw/zinc/03/06/13/603030613.db2.gz DQPFBZVAPVVQKR-UHFFFAOYSA-N -1 0 323.353 -0.316 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)CC(C)(C)NC(=O)[O-] ZINC000739515157 603035499 /nfs/dbraw/zinc/03/54/99/603035499.db2.gz MEMLYTPQQZFINN-UHFFFAOYSA-N -1 0 309.388 -0.132 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000738992536 603044663 /nfs/dbraw/zinc/04/46/63/603044663.db2.gz ATBCZWQUCSCKIQ-RKDXNWHRSA-N -1 0 309.326 -0.312 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CC1=O ZINC000739827923 603046500 /nfs/dbraw/zinc/04/65/00/603046500.db2.gz ATIQNRXQCSJJFD-QWRGUYRKSA-N -1 0 313.354 -0.356 20 0 DBADRM O=C([O-])N1CCC2(CC1)NC(=O)N(CN1CCOCC1)C2=O ZINC000740506971 603046908 /nfs/dbraw/zinc/04/69/08/603046908.db2.gz KOAITZVPVJHBBN-UHFFFAOYSA-N -1 0 312.326 -0.660 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)CCC(=O)N1CCOCC1)C1CC1 ZINC000740603447 603047924 /nfs/dbraw/zinc/04/79/24/603047924.db2.gz VHGZJUOXWRPBSR-NSHDSACASA-N -1 0 313.354 -0.212 20 0 DBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)CN(C)S(C)(=O)=O ZINC000738770765 603049637 /nfs/dbraw/zinc/04/96/37/603049637.db2.gz IETMEXFEHWOTRF-LLVKDONJSA-N -1 0 309.388 -0.324 20 0 DBADRM CC(C)(CNC(=O)CCCNC(=O)[O-])N1CCS(=O)CC1 ZINC000736320188 603054597 /nfs/dbraw/zinc/05/45/97/603054597.db2.gz KODSUOROKISMGU-UHFFFAOYSA-N -1 0 319.427 -0.007 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)[C@H]2CCCN2C(=O)[O-])CC1 ZINC000740005139 603056405 /nfs/dbraw/zinc/05/64/05/603056405.db2.gz KUNQYNDWSMDNIR-FIKIJFGZSA-N -1 0 317.411 -0.349 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(Cc2nnc(C)n2C)CC1 ZINC000739526164 603057197 /nfs/dbraw/zinc/05/71/97/603057197.db2.gz RHBGFBQOWWHMLS-NSHDSACASA-N -1 0 324.385 -0.186 20 0 DBADRM COC(=O)C1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739756249 603061074 /nfs/dbraw/zinc/06/10/74/603061074.db2.gz PMRBTGMBRPPGDA-VHSXEESVSA-N -1 0 300.311 -0.489 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])N1CCOCC1 ZINC000738746649 603062088 /nfs/dbraw/zinc/06/20/88/603062088.db2.gz KKQJZMKTHVWNFG-QWRGUYRKSA-N -1 0 315.370 -0.673 20 0 DBADRM O=C([O-])NC1CCC(NC(=O)CN2CCC(=O)NC2=O)CC1 ZINC000740556396 603063410 /nfs/dbraw/zinc/06/34/10/603063410.db2.gz MBXOYFGNWMLRMB-UHFFFAOYSA-N -1 0 312.326 -0.377 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCNC(=O)c1ccccc1 ZINC000740439394 603065212 /nfs/dbraw/zinc/06/52/12/603065212.db2.gz LMLVDPGKJZYBPL-NEPJUHHUSA-N -1 0 321.333 -0.354 20 0 DBADRM NC(=O)Nc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000740334036 603065498 /nfs/dbraw/zinc/06/54/98/603065498.db2.gz XCLGACCXSZTRCO-MNOVXSKESA-N -1 0 322.321 -0.093 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000740343451 603066810 /nfs/dbraw/zinc/06/68/10/603066810.db2.gz ZCLYMCZQZHKERZ-VHSXEESVSA-N -1 0 300.311 -0.535 20 0 DBADRM CN(C)c1ncccc1CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739619941 603069041 /nfs/dbraw/zinc/06/90/41/603069041.db2.gz ZMAJURLATMPQLG-QWRGUYRKSA-N -1 0 308.338 -0.123 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCNC(=O)c1cccnc1 ZINC000740438316 603070273 /nfs/dbraw/zinc/07/02/73/603070273.db2.gz CQEVDRVNIVXWMA-QWRGUYRKSA-N -1 0 322.321 -0.959 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000827518470 603070378 /nfs/dbraw/zinc/07/03/78/603070378.db2.gz KNKMHIQLALOMEK-VHSXEESVSA-N -1 0 323.353 -0.004 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)C[C@H](C)NC(=O)[O-])C2=O)n(C)n1 ZINC000830073188 603071631 /nfs/dbraw/zinc/07/16/31/603071631.db2.gz OJCFRCKYQXOOTL-WPRPVWTQSA-N -1 0 323.353 -0.004 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000740505181 603074691 /nfs/dbraw/zinc/07/46/91/603074691.db2.gz KJDXPDIUJZCPJS-NWDGAFQWSA-N -1 0 312.370 -0.145 20 0 DBADRM O=C([O-])NCCCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000740650224 603074751 /nfs/dbraw/zinc/07/47/51/603074751.db2.gz QYARXZVLSQMBDB-NSHDSACASA-N -1 0 300.359 -0.240 20 0 DBADRM CN1C(=O)C[C@H](C(=O)NCCNC(=O)[O-])[C@@H]1c1cccnc1 ZINC000739729116 603075135 /nfs/dbraw/zinc/07/51/35/603075135.db2.gz QRRZLHVGVHUDBF-JQWIXIFHSA-N -1 0 306.322 -0.015 20 0 DBADRM CN(Cc1nnc2ccccn21)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739720943 603075274 /nfs/dbraw/zinc/07/52/74/603075274.db2.gz NWRDMDAAPWDOKK-UWVGGRQHSA-N -1 0 319.321 -0.199 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@](C)(CNC(=O)[O-])C(C)C ZINC000738551731 603076308 /nfs/dbraw/zinc/07/63/08/603076308.db2.gz OOXIBNLYEVNYIP-CYBMUJFWSA-N -1 0 316.358 -0.963 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCC(=O)Nc1cccnc1 ZINC000740375983 603077425 /nfs/dbraw/zinc/07/74/25/603077425.db2.gz CSYAADRXOBXESH-UWVGGRQHSA-N -1 0 308.294 -0.751 20 0 DBADRM CCN(CC)C(=O)CCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739403601 603078421 /nfs/dbraw/zinc/07/84/21/603078421.db2.gz QIPJWHQPCGWILL-WDEREUQCSA-N -1 0 315.370 -0.136 20 0 DBADRM CCN(CC)C(=O)CCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739403598 603078741 /nfs/dbraw/zinc/07/87/41/603078741.db2.gz QIPJWHQPCGWILL-QWRGUYRKSA-N -1 0 315.370 -0.136 20 0 DBADRM C[C@H](CCNS(=O)(=O)N(C)C1CCOCC1)NC(=O)[O-] ZINC000738904156 603083921 /nfs/dbraw/zinc/08/39/21/603083921.db2.gz INSUBNZLXLXYJG-SECBINFHSA-N -1 0 309.388 -0.022 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739617260 603084326 /nfs/dbraw/zinc/08/43/26/603084326.db2.gz OIYWDDWIXLLFRH-JTQLQIEISA-N -1 0 321.399 -0.069 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000739514792 603084659 /nfs/dbraw/zinc/08/46/59/603084659.db2.gz JLXRATJEWMLELY-SECBINFHSA-N -1 0 307.372 -0.234 20 0 DBADRM CCN(C(=O)CN(CCOC)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739379901 603087015 /nfs/dbraw/zinc/08/70/15/603087015.db2.gz FGIDZPPTAMSTOS-SNVBAGLBSA-N -1 0 322.383 -0.352 20 0 DBADRM CN1CCO[C@@H](C(=O)NCCCN2CCN(C(=O)[O-])CC2)C1 ZINC000739735627 603089163 /nfs/dbraw/zinc/08/91/63/603089163.db2.gz AOVKLHQVSKRXBM-GFCCVEGCSA-N -1 0 314.386 -0.881 20 0 DBADRM CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739243279 603090097 /nfs/dbraw/zinc/09/00/97/603090097.db2.gz FYQLVAJYMUDONK-AXTSPUMRSA-N -1 0 301.343 -0.481 20 0 DBADRM CNc1cc(N2CCC[C@H]2CNC(=O)CNC(=O)[O-])ncn1 ZINC000285577676 603091446 /nfs/dbraw/zinc/09/14/46/603091446.db2.gz GZPIZLIRSCZUBH-VIFPVBQESA-N -1 0 308.342 -0.129 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)N1CCS(=O)(=O)CC1)C1CC1 ZINC000740613835 603095187 /nfs/dbraw/zinc/09/51/87/603095187.db2.gz RATZGRVKLWTBTA-SECBINFHSA-N -1 0 305.356 -0.527 20 0 DBADRM COCCN(CC(=O)N[C@H]1CCc2nnc(C)n2C1)C(=O)[O-] ZINC000739816738 603097262 /nfs/dbraw/zinc/09/72/62/603097262.db2.gz AXDPMAZHPQRDHR-JTQLQIEISA-N -1 0 311.342 -0.356 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)NCCCN(C)C(=O)[O-] ZINC000739190293 603098675 /nfs/dbraw/zinc/09/86/75/603098675.db2.gz OBDNHVKPHQVPSV-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM CCC(CC)[C@H](O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739251279 603102901 /nfs/dbraw/zinc/10/29/01/603102901.db2.gz ADQCDKNXNZGZTO-LLVKDONJSA-N -1 0 315.370 -0.278 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCCOC[C@@H]1CCCO1 ZINC000740719112 603106254 /nfs/dbraw/zinc/10/62/54/603106254.db2.gz DJGCTGVDPZEYOA-DCAQKATOSA-N -1 0 303.311 -0.162 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCCOC[C@@H]1CCCO1 ZINC000740719113 603106298 /nfs/dbraw/zinc/10/62/98/603106298.db2.gz DJGCTGVDPZEYOA-GARJFASQSA-N -1 0 303.311 -0.162 20 0 DBADRM COCCN1C[C@H](C(=O)N2CCC[C@H]2CNC(=O)[O-])CC1=O ZINC000828984779 603106991 /nfs/dbraw/zinc/10/69/91/603106991.db2.gz IJKYVMIQLRRIEK-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])N1CCN(CCNS(=O)(=O)Cc2ccon2)CC1 ZINC000832036373 603107026 /nfs/dbraw/zinc/10/70/26/603107026.db2.gz IDYYLVOXOKBRTH-UHFFFAOYSA-N -1 0 318.355 -0.610 20 0 DBADRM CC(C)(C)NC(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738701523 603108751 /nfs/dbraw/zinc/10/87/51/603108751.db2.gz RWDORNBOMLGMIS-UHFFFAOYSA-N -1 0 315.326 -0.734 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739039236 603109893 /nfs/dbraw/zinc/10/98/93/603109893.db2.gz ZDYKPRPOXZBMFE-UEJVZZJDSA-N -1 0 307.372 -0.381 20 0 DBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000832648232 603110656 /nfs/dbraw/zinc/11/06/56/603110656.db2.gz YNYMROVNZJLBBN-SECBINFHSA-N -1 0 319.383 -0.426 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NCCN(C(=O)[O-])C1CC1 ZINC000829674067 603113295 /nfs/dbraw/zinc/11/32/95/603113295.db2.gz NLDMGBHLRVSOFR-UHFFFAOYSA-N -1 0 314.385 -0.907 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000740400424 603113803 /nfs/dbraw/zinc/11/38/03/603113803.db2.gz YEKVUJKMHOJFMQ-YUMQZZPRSA-N -1 0 308.381 -0.267 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCC[C@@H]2CNC(=O)[O-])S1 ZINC000831240014 603113882 /nfs/dbraw/zinc/11/38/82/603113882.db2.gz LJLQQPUXIPEVSF-RQJHMYQMSA-N -1 0 300.340 -0.199 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1S(=O)(=O)CCS(C)(=O)=O ZINC000826027185 603115830 /nfs/dbraw/zinc/11/58/30/603115830.db2.gz RMXDOUSNVQLLJD-MRVPVSSYSA-N -1 0 314.385 -0.955 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000829675599 603116497 /nfs/dbraw/zinc/11/64/97/603116497.db2.gz ZTCHGHLBQNFUNC-MRVPVSSYSA-N -1 0 314.385 -0.907 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739596387 603119534 /nfs/dbraw/zinc/11/95/34/603119534.db2.gz MFCWOKMUKSOEHQ-UHFFFAOYSA-N -1 0 314.386 -0.345 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000739761707 603121702 /nfs/dbraw/zinc/12/17/02/603121702.db2.gz MSOLRDVHEYLHCT-JGVFFNPUSA-N -1 0 302.283 -0.745 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000740611514 603122054 /nfs/dbraw/zinc/12/20/54/603122054.db2.gz KANFXIZTQLGDNT-DTWKUNHWSA-N -1 0 305.356 -0.481 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000738951115 603125578 /nfs/dbraw/zinc/12/55/78/603125578.db2.gz PDJBAOZVVVXEBN-CBAPKCEASA-N -1 0 307.372 -0.235 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@@H]2CNC(=O)[O-])nn1 ZINC000827965698 603126468 /nfs/dbraw/zinc/12/64/68/603126468.db2.gz FQNJCLLYBARUAE-SECBINFHSA-N -1 0 324.341 -0.762 20 0 DBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)CC[C@H]1NC(=O)NC1=O ZINC000738771939 603126965 /nfs/dbraw/zinc/12/69/65/603126965.db2.gz NJGCYTWPKCDGMI-AMIZOPFISA-N -1 0 314.342 -0.227 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)NCC1(O)CCOCC1)C1CC1 ZINC000740607531 603133885 /nfs/dbraw/zinc/13/38/85/603133885.db2.gz DEBKALRVKNXHSM-SNVBAGLBSA-N -1 0 301.343 -0.127 20 0 DBADRM O=C([O-])NC[C@H]1CCCC[C@@H]1NS(=O)(=O)N1CCOCC1 ZINC000832511822 603137102 /nfs/dbraw/zinc/13/71/02/603137102.db2.gz ANIPJZDGLSQYDD-MNOVXSKESA-N -1 0 321.399 -0.021 20 0 DBADRM O=C([O-])NC[C@@H]1CCCC[C@H]1NS(=O)(=O)N1CCOCC1 ZINC000832511826 603137770 /nfs/dbraw/zinc/13/77/70/603137770.db2.gz ANIPJZDGLSQYDD-WDEREUQCSA-N -1 0 321.399 -0.021 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H](CNC(=O)[O-])C2CC2)n(C)n1 ZINC000740078994 603140761 /nfs/dbraw/zinc/14/07/61/603140761.db2.gz JTBPOBIVGYSHOK-SECBINFHSA-N -1 0 309.326 -0.171 20 0 DBADRM COCCc1noc(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])n1 ZINC000739839029 603145785 /nfs/dbraw/zinc/14/57/85/603145785.db2.gz VZCFUVBGTXVWET-HTQZYQBOSA-N -1 0 315.282 -0.585 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCCCN1CCCC1=O ZINC000740719730 603148913 /nfs/dbraw/zinc/14/89/13/603148913.db2.gz IKFABLNGKINCTB-UWVGGRQHSA-N -1 0 300.311 -0.345 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCCCN1CCCC1=O ZINC000740719734 603148948 /nfs/dbraw/zinc/14/89/48/603148948.db2.gz IKFABLNGKINCTB-ZJUUUORDSA-N -1 0 300.311 -0.345 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)NCc1ccco1 ZINC000740379946 603150638 /nfs/dbraw/zinc/15/06/38/603150638.db2.gz VJLCBVREIYYKAG-PSASIEDQSA-N -1 0 312.278 -0.448 20 0 DBADRM CC1CCN(C(=O)COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739114258 603159221 /nfs/dbraw/zinc/15/92/21/603159221.db2.gz VJHQEGTYJBJVTF-GHMZBOCLSA-N -1 0 314.338 -0.099 20 0 DBADRM COCCN(CC(=O)O[C@H](C)C(=O)N1CCOCC1)C(=O)[O-] ZINC000739827696 603164282 /nfs/dbraw/zinc/16/42/82/603164282.db2.gz NSOIFXLENFXYQK-SNVBAGLBSA-N -1 0 318.326 -0.597 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000829018882 603164893 /nfs/dbraw/zinc/16/48/93/603164893.db2.gz YQEKAJMQTSSISY-SNVBAGLBSA-N -1 0 322.383 -0.352 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739743908 603170713 /nfs/dbraw/zinc/17/07/13/603170713.db2.gz PDVGBTWCBXZSGR-VIFPVBQESA-N -1 0 300.359 -0.689 20 0 DBADRM CN(CCCC(=O)N1CCC[C@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000739665391 603187422 /nfs/dbraw/zinc/18/74/22/603187422.db2.gz BOHZIHZMTKHXDL-VIFPVBQESA-N -1 0 307.372 -0.344 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736477247 603189828 /nfs/dbraw/zinc/18/98/28/603189828.db2.gz GQURQVMSRNZBEO-LLVKDONJSA-N -1 0 314.386 -0.299 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCc1nnc2n1CCCC2 ZINC000740452767 603190645 /nfs/dbraw/zinc/19/06/45/603190645.db2.gz QSLPZNWDUNRSNX-DTWKUNHWSA-N -1 0 309.326 -0.656 20 0 DBADRM CC(C)(C(=O)N1CCS(=O)CC1)N1CCN(C(=O)[O-])CC1 ZINC000738649270 603192575 /nfs/dbraw/zinc/19/25/75/603192575.db2.gz PGRUZRWZONSVFI-UHFFFAOYSA-N -1 0 317.411 -0.349 20 0 DBADRM O=C([O-])N1CCC(N(C(=O)CN2CC(=O)NC2=O)C2CC2)CC1 ZINC000740731462 603196360 /nfs/dbraw/zinc/19/63/60/603196360.db2.gz RAZLYZITPUZUHE-UHFFFAOYSA-N -1 0 324.337 -0.328 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1=O ZINC000737807759 603199222 /nfs/dbraw/zinc/19/92/22/603199222.db2.gz JBKRJUFKQFQHNA-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM CC(C)C[C@@](C)(CNC(=O)[O-])NC(=O)CN1CC(=O)NC1=O ZINC000738806500 603199562 /nfs/dbraw/zinc/19/95/62/603199562.db2.gz QBKSOBJUGFCSOV-ZDUSSCGKSA-N -1 0 314.342 -0.273 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)NCCN2C(=O)CNC2=O)C1 ZINC000740570874 603206309 /nfs/dbraw/zinc/20/63/09/603206309.db2.gz SGXHKBJTPAHTTG-IUCAKERBSA-N -1 0 312.326 -0.519 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@H]2CCCCN2C(=O)[O-])n[nH]1 ZINC000739768807 603208774 /nfs/dbraw/zinc/20/87/74/603208774.db2.gz SOZCEKGOMBRNRN-SSDOTTSWSA-N -1 0 311.298 -0.009 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739990636 603209105 /nfs/dbraw/zinc/20/91/05/603209105.db2.gz IQYNMYMKLJVTQU-SECBINFHSA-N -1 0 305.356 -0.910 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CS(C)(=O)=O ZINC000739200304 603212808 /nfs/dbraw/zinc/21/28/08/603212808.db2.gz AIFFCMRZEUUSKN-YUMQZZPRSA-N -1 0 308.356 -0.349 20 0 DBADRM CCc1ncc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cn1 ZINC000825750752 607615001 /nfs/dbraw/zinc/61/50/01/607615001.db2.gz WSELWROVBKQESF-UHFFFAOYSA-N -1 0 300.286 -0.551 20 0 DBADRM O=C([O-])N1CC[C@@H](C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000740439369 603220474 /nfs/dbraw/zinc/22/04/74/603220474.db2.gz LEZOBRRULVEFDZ-LLVKDONJSA-N -1 0 306.322 -0.073 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000739531632 603244346 /nfs/dbraw/zinc/24/43/46/603244346.db2.gz RTXSMDIRJLZOKW-YFKPBYRVSA-N -1 0 306.300 -0.401 20 0 DBADRM CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739597049 603246185 /nfs/dbraw/zinc/24/61/85/603246185.db2.gz PGTWSHPOQDQECD-BDAKNGLRSA-N -1 0 301.368 -0.024 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)o1 ZINC000832691999 603246776 /nfs/dbraw/zinc/24/67/76/603246776.db2.gz UVSWDMUPGJLUMQ-SSDOTTSWSA-N -1 0 302.308 -0.036 20 0 DBADRM COCCN(CC(=O)N(C)C[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739814021 603260218 /nfs/dbraw/zinc/26/02/18/603260218.db2.gz QCOROGDEWWPIOT-SNVBAGLBSA-N -1 0 322.383 -0.494 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)NCCN2C(=O)CCC2=O)C1 ZINC000739424152 603262210 /nfs/dbraw/zinc/26/22/10/603262210.db2.gz WSWIDDOZFILXIG-SECBINFHSA-N -1 0 312.326 -0.423 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC000740561242 603271366 /nfs/dbraw/zinc/27/13/66/603271366.db2.gz CEQPWYSOIOTUNG-NUPCCRGMSA-N -1 0 324.337 -0.377 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739462345 603272280 /nfs/dbraw/zinc/27/22/80/603272280.db2.gz NCVZMQHVDSMXFM-NSHDSACASA-N -1 0 312.370 -0.733 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000740369900 603272825 /nfs/dbraw/zinc/27/28/25/603272825.db2.gz PMAPCXZLLYXAFQ-MNOVXSKESA-N -1 0 313.354 -0.524 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000740369904 603272966 /nfs/dbraw/zinc/27/29/66/603272966.db2.gz PMAPCXZLLYXAFQ-WDEREUQCSA-N -1 0 313.354 -0.524 20 0 DBADRM COC(=O)C[C@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])C(=O)OC ZINC000828646118 603275334 /nfs/dbraw/zinc/27/53/34/603275334.db2.gz FEALQRHSPWMNPF-IUCAKERBSA-N -1 0 316.310 -0.260 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1CCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000739418830 603284704 /nfs/dbraw/zinc/28/47/04/603284704.db2.gz YEGRVTSOOGYKAQ-SNVBAGLBSA-N -1 0 321.399 -0.226 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000739983589 603288105 /nfs/dbraw/zinc/28/81/05/603288105.db2.gz BJRZBBXUHNAXOF-ZJUUUORDSA-N -1 0 319.383 -0.474 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000739983583 603288170 /nfs/dbraw/zinc/28/81/70/603288170.db2.gz BJRZBBXUHNAXOF-NXEZZACHSA-N -1 0 319.383 -0.474 20 0 DBADRM O=C([O-])N1CC[C@@H](C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000740439724 603292176 /nfs/dbraw/zinc/29/21/76/603292176.db2.gz NPMZMRKDRMGXBJ-SECBINFHSA-N -1 0 305.356 -0.862 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000827241688 603292347 /nfs/dbraw/zinc/29/23/47/603292347.db2.gz BUVZFBUILUXLLG-JTQLQIEISA-N -1 0 300.359 -0.687 20 0 DBADRM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CNC(=O)[O-])CC2 ZINC000737556692 603293420 /nfs/dbraw/zinc/29/34/20/603293420.db2.gz BBTNSLVWUUYNQL-UHFFFAOYSA-N -1 0 313.335 -0.249 20 0 DBADRM COCCN(CC(=O)N1CC[S@](=O)[C@H](C)[C@H]1C)C(=O)[O-] ZINC000739824468 603294548 /nfs/dbraw/zinc/29/45/48/603294548.db2.gz YBGHCSUBMWOVBA-ZLMDCXFVSA-N -1 0 306.384 -0.019 20 0 DBADRM O=C([O-])N1CC[C@H](C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000740433353 603296766 /nfs/dbraw/zinc/29/67/66/603296766.db2.gz OLUBZSRFIIYEFE-JTQLQIEISA-N -1 0 319.383 -0.472 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000739292940 603298747 /nfs/dbraw/zinc/29/87/47/603298747.db2.gz VWBDMKGJWBDQLW-CHWSQXEVSA-N -1 0 312.326 -0.377 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000736606359 603298841 /nfs/dbraw/zinc/29/88/41/603298841.db2.gz AIMVSEKNAYPQNP-IUCAKERBSA-N -1 0 307.372 -0.139 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000740340576 603307249 /nfs/dbraw/zinc/30/72/49/603307249.db2.gz FXGAEJHLPYWGJM-VHSXEESVSA-N -1 0 319.383 -0.487 20 0 DBADRM COCCN(CC(=O)NC[C@H](O)C1CCOCC1)C(=O)[O-] ZINC000739817423 603312921 /nfs/dbraw/zinc/31/29/21/603312921.db2.gz FRSFZYDXRLMZQW-NSHDSACASA-N -1 0 304.343 -0.484 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000827479983 603317044 /nfs/dbraw/zinc/31/70/44/603317044.db2.gz AJSYTJMLTOQEHM-UHFFFAOYSA-N -1 0 319.339 -0.284 20 0 DBADRM CS(=O)(=O)Cc1noc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)n1 ZINC000739984288 603319176 /nfs/dbraw/zinc/31/91/76/603319176.db2.gz DISDKBBZLGZYTD-ZCFIWIBFSA-N -1 0 318.311 -0.447 20 0 DBADRM COC(=O)C[C@H]1CSCCN1C(=O)COCCNC(=O)[O-] ZINC000739759713 603320085 /nfs/dbraw/zinc/32/00/85/603320085.db2.gz JARSCIASWUAMOZ-VIFPVBQESA-N -1 0 320.367 -0.222 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@H]1NC(=O)[O-] ZINC000739137447 603320109 /nfs/dbraw/zinc/32/01/09/603320109.db2.gz VTUSDRNAHFSCPB-DTWKUNHWSA-N -1 0 312.326 -0.567 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(C[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739615398 603323659 /nfs/dbraw/zinc/32/36/59/603323659.db2.gz UMPHUJNLISCLAM-NSHDSACASA-N -1 0 320.415 -0.590 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CCN(C(=O)[O-])[C@H](C)C1 ZINC000739368073 603355917 /nfs/dbraw/zinc/35/59/17/603355917.db2.gz SIHGHZWVWSHZSF-LLVKDONJSA-N -1 0 314.386 -0.345 20 0 DBADRM CCC[C@H](O)CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739329205 603356616 /nfs/dbraw/zinc/35/66/16/603356616.db2.gz MBHFXYXLBXQYQN-JTQLQIEISA-N -1 0 316.358 -0.731 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)NCCn2cccn2)CC1 ZINC000740431931 603357251 /nfs/dbraw/zinc/35/72/51/603357251.db2.gz FZUWEEPIYALNPC-UHFFFAOYSA-N -1 0 324.385 -0.132 20 0 DBADRM C[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CC[C@@H]1NC(=O)[O-] ZINC000739132769 603363101 /nfs/dbraw/zinc/36/31/01/603363101.db2.gz ISCDKQDQBOOOQH-IUCAKERBSA-N -1 0 310.310 -0.547 20 0 DBADRM C[C@@H]1CN(C(=S)NCCNS(C)(=O)=O)CCN1C(=O)[O-] ZINC000739171866 603375394 /nfs/dbraw/zinc/37/53/94/603375394.db2.gz HTRDFGBFYLJWJX-MRVPVSSYSA-N -1 0 324.428 -0.906 20 0 DBADRM CCN(CC(=O)NCC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000739392577 603386071 /nfs/dbraw/zinc/38/60/71/603386071.db2.gz KFUSPBJPUXCJRW-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC(NC(=O)[O-])CC2)n(C)n1 ZINC000740081016 603393822 /nfs/dbraw/zinc/39/38/22/603393822.db2.gz ZKCKXNSFPFJDFL-UHFFFAOYSA-N -1 0 309.326 -0.074 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CCCN(C(=O)[O-])CC2)cn1 ZINC000738371577 603396233 /nfs/dbraw/zinc/39/62/33/603396233.db2.gz SQUWJOCELKZOJN-UHFFFAOYSA-N -1 0 307.310 -0.064 20 0 DBADRM CC(C)[C@H](CNC(=O)Cn1nc2ccccn2c1=O)NC(=O)[O-] ZINC000738777716 603401117 /nfs/dbraw/zinc/40/11/17/603401117.db2.gz MZFKTXFGCDTGJK-JTQLQIEISA-N -1 0 321.337 -0.096 20 0 DBADRM CN(C[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1)C(=O)[O-] ZINC000828181684 603403318 /nfs/dbraw/zinc/40/33/18/603403318.db2.gz VQJAYHDWJBFHTF-SECBINFHSA-N -1 0 324.341 -0.775 20 0 DBADRM CCS(=O)(=O)CCNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739514652 603411166 /nfs/dbraw/zinc/41/11/66/603411166.db2.gz IRSAYYJZODTLNL-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000738951111 603419949 /nfs/dbraw/zinc/41/99/49/603419949.db2.gz PBZYZFFMFZQQFX-ZJUUUORDSA-N -1 0 322.383 -0.305 20 0 DBADRM O=C([O-])N(CC(=O)N1CCn2cnnc2C1)C[C@@H]1CCCO1 ZINC000740490437 603419977 /nfs/dbraw/zinc/41/99/77/603419977.db2.gz IFMYZAASZCXBJQ-JTQLQIEISA-N -1 0 309.326 -0.221 20 0 DBADRM CCN(CC(=O)N1CCN(CC(=O)NC2CC2)CC1)C(=O)[O-] ZINC000739392854 603421312 /nfs/dbraw/zinc/42/13/12/603421312.db2.gz DMKIETHSRHOEQO-UHFFFAOYSA-N -1 0 312.370 -0.591 20 0 DBADRM CCN(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000739395052 603421948 /nfs/dbraw/zinc/42/19/48/603421948.db2.gz SFLYPRTVTSQVHH-UHFFFAOYSA-N -1 0 315.351 -0.050 20 0 DBADRM CCN(CC(=O)NC1CCN(S(=O)(=O)CC)CC1)C(=O)[O-] ZINC000739393972 603422816 /nfs/dbraw/zinc/42/28/16/603422816.db2.gz USSUXESEUWETOI-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM Cn1cc([C@@H]2[C@H](C(=O)NCCNC(=O)[O-])CCC(=O)N2C)cn1 ZINC000739728362 603426825 /nfs/dbraw/zinc/42/68/25/603426825.db2.gz NCIRRWPWDGEQIC-ZYHUDNBSSA-N -1 0 323.353 -0.287 20 0 DBADRM COC(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739762553 603427554 /nfs/dbraw/zinc/42/75/54/603427554.db2.gz RRDBYXUSUJDKST-UHFFFAOYSA-N -1 0 310.266 -0.211 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)CN(CC)C(=O)[O-])CC1 ZINC000739490879 603431639 /nfs/dbraw/zinc/43/16/39/603431639.db2.gz RKCMLIKWDQAGQC-GFCCVEGCSA-N -1 0 317.386 -0.472 20 0 DBADRM CCN(CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739386473 603431777 /nfs/dbraw/zinc/43/17/77/603431777.db2.gz KVDWCTAGVPELGE-JTQLQIEISA-N -1 0 322.383 -0.352 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])n1 ZINC000739599423 603434738 /nfs/dbraw/zinc/43/47/38/603434738.db2.gz JFMOPCNFTAQZJI-DTWKUNHWSA-N -1 0 324.341 -0.259 20 0 DBADRM O=C([O-])N[C@H]1CC[C@H](C(=O)OCC(=O)N2CCOCC2)C1 ZINC000832297854 603438250 /nfs/dbraw/zinc/43/82/50/603438250.db2.gz QQFFJWNJJXJOMY-UWVGGRQHSA-N -1 0 300.311 -0.175 20 0 DBADRM NC(=O)CN1CCC(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000831189515 603440735 /nfs/dbraw/zinc/44/07/35/603440735.db2.gz ABPYQOJCNZUVEW-ONGXEEELSA-N -1 0 312.370 -0.511 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)Cn1cnc2c1ncnc2N ZINC000823979164 603443909 /nfs/dbraw/zinc/44/39/09/603443909.db2.gz QSBIIMGUBNCFGK-UHFFFAOYSA-N -1 0 307.314 -0.429 20 0 DBADRM CC(C)N1CC[C@H](OC(=O)COC2CN(C(=O)[O-])C2)C1=O ZINC000824362488 603447557 /nfs/dbraw/zinc/44/75/57/603447557.db2.gz DFIHLGZOAZBHIL-JTQLQIEISA-N -1 0 300.311 -0.082 20 0 DBADRM C[C@H](CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1)NC(=O)[O-] ZINC000824680326 603448086 /nfs/dbraw/zinc/44/80/86/603448086.db2.gz UFONNOAQWTUZLP-ZCFIWIBFSA-N -1 0 308.294 -0.131 20 0 DBADRM C[C@H]1CN(C(=O)COC(=O)COC2CN(C(=O)[O-])C2)CCO1 ZINC000825987155 603448818 /nfs/dbraw/zinc/44/88/18/603448818.db2.gz BMDSDELPXCPPPM-VIFPVBQESA-N -1 0 316.310 -0.844 20 0 DBADRM Cc1oc(C(=O)N2CCN(C(=O)[O-])CC2)cc1S(N)(=O)=O ZINC000830943762 603449797 /nfs/dbraw/zinc/44/97/97/603449797.db2.gz ZUTNKGWZPWWSKE-UHFFFAOYSA-N -1 0 317.323 -0.329 20 0 DBADRM CN(C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827738227 603455939 /nfs/dbraw/zinc/45/59/39/603455939.db2.gz HSNRXQDTXITOND-NXEZZACHSA-N -1 0 321.337 -0.027 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCC(C)(C)NC(=O)[O-])CCO1 ZINC000828640673 603456710 /nfs/dbraw/zinc/45/67/10/603456710.db2.gz MUOZNWMPPYYOFB-MRVPVSSYSA-N -1 0 303.315 -0.384 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCC(C)(C)NC(=O)[O-])CCO1 ZINC000828640674 603456880 /nfs/dbraw/zinc/45/68/80/603456880.db2.gz MUOZNWMPPYYOFB-QMMMGPOBSA-N -1 0 303.315 -0.384 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000829689132 603458008 /nfs/dbraw/zinc/45/80/08/603458008.db2.gz ZOGFPYXRSNIIEF-IUCAKERBSA-N -1 0 307.372 -0.522 20 0 DBADRM Cn1cc(NC(=O)CC2(NC(=O)[O-])CCC2)c(=O)n(C)c1=O ZINC000831014483 603460886 /nfs/dbraw/zinc/46/08/86/603460886.db2.gz VMPMASCRJKKWPA-UHFFFAOYSA-N -1 0 310.310 -0.397 20 0 DBADRM C[C@H](CC(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C)NC(=O)[O-] ZINC000824622008 603460826 /nfs/dbraw/zinc/46/08/26/603460826.db2.gz JMFDDDMOKVGIHV-IVZWLZJFSA-N -1 0 321.399 -0.181 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000825177196 603461342 /nfs/dbraw/zinc/46/13/42/603461342.db2.gz ICUNGCZGLSKTDV-VGMNWLOBSA-N -1 0 307.372 -0.571 20 0 DBADRM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)CNC(=O)[O-])[C@@H](C)C1 ZINC000826067349 603461771 /nfs/dbraw/zinc/46/17/71/603461771.db2.gz KKSHYZXWRCBHRT-UWVGGRQHSA-N -1 0 321.399 -0.181 20 0 DBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CCNC(=O)[O-] ZINC000826074309 603461833 /nfs/dbraw/zinc/46/18/33/603461833.db2.gz LDBFBASQTKZFAA-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)CN(C)C(=O)[O-] ZINC000826073951 603461868 /nfs/dbraw/zinc/46/18/68/603461868.db2.gz FFOYZPXVICBKSV-IUCAKERBSA-N -1 0 307.372 -0.618 20 0 DBADRM CCN(CC(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@H]1C)C(=O)[O-] ZINC000827002628 603462783 /nfs/dbraw/zinc/46/27/83/603462783.db2.gz OGOCPKSFJYMYNS-NXEZZACHSA-N -1 0 321.399 -0.228 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000827519293 603462796 /nfs/dbraw/zinc/46/27/96/603462796.db2.gz SOMLQPCVQVZNDP-UTLUCORTSA-N -1 0 321.399 -0.181 20 0 DBADRM Cc1nc([C@H]2CN(C(=O)NCCN(C)C(=O)[O-])CCO2)n[nH]1 ZINC000830677823 603481482 /nfs/dbraw/zinc/48/14/82/603481482.db2.gz JZZGPZWQADVJNR-SECBINFHSA-N -1 0 312.330 -0.194 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000828881339 603488187 /nfs/dbraw/zinc/48/81/87/603488187.db2.gz XBSGADWMYPRWDB-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM C[S@](=O)CCN1CCN(C[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000829699479 603495580 /nfs/dbraw/zinc/49/55/80/603495580.db2.gz KVWKTTSWBQUKBY-ODXCJYRJSA-N -1 0 303.428 -0.018 20 0 DBADRM C[C@@H](NC(=O)CN(C)[C@H]1CCN(C(=O)[O-])C1)C(=O)N(C)C ZINC000825114282 603499331 /nfs/dbraw/zinc/49/93/31/603499331.db2.gz CDQJOIVMOAYSFL-ZJUUUORDSA-N -1 0 300.359 -0.737 20 0 DBADRM CN(Cc1nc(CS(C)(=O)=O)no1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828416454 603502066 /nfs/dbraw/zinc/50/20/66/603502066.db2.gz IOQYFTGPKSYPAA-MRVPVSSYSA-N -1 0 318.355 -0.202 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000824143522 603502603 /nfs/dbraw/zinc/50/26/03/603502603.db2.gz NMPSCVSZIFMTJG-UWVGGRQHSA-N -1 0 321.399 -0.229 20 0 DBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)Cn1ccc(=O)[nH]c1=O ZINC000828136937 603507502 /nfs/dbraw/zinc/50/75/02/603507502.db2.gz BKCLYSFSABBHSW-UHFFFAOYSA-N -1 0 312.326 -0.299 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 ZINC000827836262 603508164 /nfs/dbraw/zinc/50/81/64/603508164.db2.gz XGWWQSJQTJNRTI-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)CN1C(=O)CN(C)C1=O ZINC000828128540 603509376 /nfs/dbraw/zinc/50/93/76/603509376.db2.gz FVCKZMPBGUDZLA-UHFFFAOYSA-N -1 0 314.342 -0.367 20 0 DBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)CCNS(C)(=O)=O ZINC000828129712 603509677 /nfs/dbraw/zinc/50/96/77/603509677.db2.gz UTPXJVRCLUSNCC-UHFFFAOYSA-N -1 0 309.388 -0.322 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000825510443 603511165 /nfs/dbraw/zinc/51/11/65/603511165.db2.gz YWEIXUIXXAAJGM-MRVPVSSYSA-N -1 0 309.388 -0.324 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000824431808 603514281 /nfs/dbraw/zinc/51/42/81/603514281.db2.gz RVQOIMOOGKETFY-SNVBAGLBSA-N -1 0 321.399 -0.780 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000827836218 603516545 /nfs/dbraw/zinc/51/65/45/603516545.db2.gz WLBDGMGUINVOQE-NXEZZACHSA-N -1 0 319.383 -0.379 20 0 DBADRM O=C([O-])NCCCC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000832609457 603516683 /nfs/dbraw/zinc/51/66/83/603516683.db2.gz YBDZUQLEPUDXED-NSHDSACASA-N -1 0 313.354 -0.070 20 0 DBADRM COCCN1C[C@H](C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)CC1=O ZINC000828984838 603518893 /nfs/dbraw/zinc/51/88/93/603518893.db2.gz KDJUSGGHUWXLON-GHMZBOCLSA-N -1 0 313.354 -0.308 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000831240661 603524367 /nfs/dbraw/zinc/52/43/67/603524367.db2.gz OTVJEYLLEVFJPI-OPRDCNLKSA-N -1 0 319.383 -0.298 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)nn1 ZINC000827966746 603535070 /nfs/dbraw/zinc/53/50/70/603535070.db2.gz OJVHRZNHRWJMOM-SECBINFHSA-N -1 0 324.341 -0.809 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)nn1 ZINC000828805129 603543663 /nfs/dbraw/zinc/54/36/63/603543663.db2.gz VICRWXSHCJOJEB-MRVPVSSYSA-N -1 0 311.298 -0.725 20 0 DBADRM Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000830800458 603559684 /nfs/dbraw/zinc/55/96/84/603559684.db2.gz ZZQNCVRERDQIQG-ZJUUUORDSA-N -1 0 309.326 -0.084 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC(c3nnc[nH]3)CC2)C1 ZINC000831852020 603560721 /nfs/dbraw/zinc/56/07/21/603560721.db2.gz IRTFXWUSBONLQC-UHFFFAOYSA-N -1 0 309.326 -0.111 20 0 DBADRM CN(CCCC(=O)N(C)C[C@H](O)CN1CCOCC1)C(=O)[O-] ZINC000828277288 603561762 /nfs/dbraw/zinc/56/17/62/603561762.db2.gz AYXAGCMGLOWZGW-LBPRGKRZSA-N -1 0 317.386 -0.472 20 0 DBADRM CCN(CC(=O)N(C)C[C@@H](O)CN1CCOCC1)C(=O)[O-] ZINC000826996727 603561938 /nfs/dbraw/zinc/56/19/38/603561938.db2.gz IQZWLMFFLAIVOC-LLVKDONJSA-N -1 0 303.359 -0.862 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)Cc1nc(CS(C)(=O)=O)no1 ZINC000824967522 603562603 /nfs/dbraw/zinc/56/26/03/603562603.db2.gz SANYKNWOXKRBNV-SSDOTTSWSA-N -1 0 306.344 -0.298 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)Cc1nc(CS(C)(=O)=O)no1 ZINC000824967523 603562682 /nfs/dbraw/zinc/56/26/82/603562682.db2.gz SANYKNWOXKRBNV-ZETCQYMHSA-N -1 0 306.344 -0.298 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000827475136 603568373 /nfs/dbraw/zinc/56/83/73/603568373.db2.gz GJRQWQXYCCUFLR-UHFFFAOYSA-N -1 0 319.383 -0.520 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)NCC2(CO)CC2)CC1 ZINC000831675614 603568634 /nfs/dbraw/zinc/56/86/34/603568634.db2.gz GHFOWDIFXNXMRE-UHFFFAOYSA-N -1 0 314.386 -0.256 20 0 DBADRM NC(=O)c1cccc(CCNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000831234962 603571992 /nfs/dbraw/zinc/57/19/92/603571992.db2.gz ZPWBHPFBIDBJLL-VXGBXAGGSA-N -1 0 321.333 -0.443 20 0 DBADRM CC(C)[C@H](CCN(C)C(=O)CN1CC(=O)NC1=O)NC(=O)[O-] ZINC000824078335 603581497 /nfs/dbraw/zinc/58/14/97/603581497.db2.gz JHLWJEJDWJLFMH-VIFPVBQESA-N -1 0 314.342 -0.321 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H](NC(=O)[O-])C(C)C ZINC000828580215 603584453 /nfs/dbraw/zinc/58/44/53/603584453.db2.gz WXSZDMPHJGMETB-NXEZZACHSA-N -1 0 321.399 -0.181 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(C)(C)NC(=O)[O-] ZINC000828578753 603584774 /nfs/dbraw/zinc/58/47/74/603584774.db2.gz CXGSHJUEDFPVEK-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000828578545 603585106 /nfs/dbraw/zinc/58/51/06/603585106.db2.gz BRHPCFNTDAXSGL-VHSXEESVSA-N -1 0 319.383 -0.474 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000828578544 603585305 /nfs/dbraw/zinc/58/53/05/603585305.db2.gz BRHPCFNTDAXSGL-UWVGGRQHSA-N -1 0 319.383 -0.474 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H]1CS(=O)(=O)NC ZINC000826742477 603585311 /nfs/dbraw/zinc/58/53/11/603585311.db2.gz AULITYKBQBKJBV-UWVGGRQHSA-N -1 0 321.399 -0.037 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000828578736 603585333 /nfs/dbraw/zinc/58/53/33/603585333.db2.gz CUPCVUOYLJQCHJ-VHSXEESVSA-N -1 0 321.399 -0.228 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827264575 603586727 /nfs/dbraw/zinc/58/67/27/603586727.db2.gz BQXPMMUMQGGKSE-IUCAKERBSA-N -1 0 307.372 -0.522 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000828572331 603591672 /nfs/dbraw/zinc/59/16/72/603591672.db2.gz BNTJRODSPBBTFZ-BDAKNGLRSA-N -1 0 307.372 -0.427 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000828572988 603594829 /nfs/dbraw/zinc/59/48/29/603594829.db2.gz LWQCYAQPIJDJOP-BDAKNGLRSA-N -1 0 307.372 -0.522 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)[O-] ZINC000828573580 603595768 /nfs/dbraw/zinc/59/57/68/603595768.db2.gz UCLFXQUSHKUOBQ-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])c1=O ZINC000830963951 603595882 /nfs/dbraw/zinc/59/58/82/603595882.db2.gz NNEZXGOQWNFAOR-IONNQARKSA-N -1 0 310.310 -0.348 20 0 DBADRM CN1CCN(C(=O)Nc2nncs2)[C@@H](CNC(=O)[O-])C1 ZINC000828507614 603596935 /nfs/dbraw/zinc/59/69/35/603596935.db2.gz QTFGOZSGXSXLLW-ZETCQYMHSA-N -1 0 300.344 -0.046 20 0 DBADRM CC[C@H](CCO)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000826579927 603597059 /nfs/dbraw/zinc/59/70/59/603597059.db2.gz CBQRWESYBYVPAI-SNVBAGLBSA-N -1 0 301.343 -0.667 20 0 DBADRM CN(Cc1cnn(C)c1)CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O ZINC000828410878 603597898 /nfs/dbraw/zinc/59/78/98/603597898.db2.gz KJDXJNVQGPVDHW-GFCCVEGCSA-N -1 0 322.369 -0.091 20 0 DBADRM COCCCS(=O)(=O)NCCN1CCC(NC(=O)[O-])CC1 ZINC000828964564 603622586 /nfs/dbraw/zinc/62/25/86/603622586.db2.gz YRDKOHZEJFRAEX-UHFFFAOYSA-N -1 0 323.415 -0.326 20 0 DBADRM CCN(C)S(=O)(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000826988559 603623741 /nfs/dbraw/zinc/62/37/41/603623741.db2.gz KDDLEUPXYNPXEX-UHFFFAOYSA-N -1 0 308.404 -0.590 20 0 DBADRM C[C@H]1CN(C(=O)NCCNC(=O)[O-])C[C@H]1N1CCOCC1 ZINC000826003098 603628894 /nfs/dbraw/zinc/62/88/94/603628894.db2.gz WRBOWORIRPRJEA-WDEREUQCSA-N -1 0 300.359 -0.384 20 0 DBADRM NC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000831222294 603634715 /nfs/dbraw/zinc/63/47/15/603634715.db2.gz AYFDYTRWPYDQDJ-QWRGUYRKSA-N -1 0 307.306 -0.485 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000831275121 603635462 /nfs/dbraw/zinc/63/54/62/603635462.db2.gz ZKQLIGMPBXXUDZ-WDEREUQCSA-N -1 0 311.338 -0.820 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000831275119 603635651 /nfs/dbraw/zinc/63/56/51/603635651.db2.gz ZKQLIGMPBXXUDZ-QWRGUYRKSA-N -1 0 311.338 -0.820 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)[C@@H]1CCCN1C(=O)[O-])CC2 ZINC000831051218 603640813 /nfs/dbraw/zinc/64/08/13/603640813.db2.gz YQQYMMSLMBFLPW-NSHDSACASA-N -1 0 306.322 -0.193 20 0 DBADRM C[C@H](CC(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)NC(=O)[O-] ZINC000824637932 603640863 /nfs/dbraw/zinc/64/08/63/603640863.db2.gz WNBSNBXXTQNKTB-BFHDXFOESA-N -1 0 312.326 -0.473 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000831778184 603640867 /nfs/dbraw/zinc/64/08/67/603640867.db2.gz MFFSSJKBSRXPLR-GHMZBOCLSA-N -1 0 318.293 -0.286 20 0 DBADRM NC(=O)COc1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000831194127 603642136 /nfs/dbraw/zinc/64/21/36/603642136.db2.gz HBYSOLHAMWKCQT-KOLCDFICSA-N -1 0 323.305 -0.398 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000829686898 603642271 /nfs/dbraw/zinc/64/22/71/603642271.db2.gz GQVRMGGMLXBQPN-UHFFFAOYSA-N -1 0 319.383 -0.474 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCOCC(F)(F)F ZINC000831694607 603645689 /nfs/dbraw/zinc/64/56/89/603645689.db2.gz WNDKQBXIKOUUKJ-RNFRBKRXSA-N -1 0 300.233 -0.205 20 0 DBADRM CCOC(=O)C1(O)CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000827292644 603647803 /nfs/dbraw/zinc/64/78/03/603647803.db2.gz TWFUXLPAJSYYFC-JTQLQIEISA-N -1 0 314.338 -0.097 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCCN(C)C(=O)[O-] ZINC000828579318 603648488 /nfs/dbraw/zinc/64/84/88/603648488.db2.gz KEAYYQUOXAWKGZ-SECBINFHSA-N -1 0 322.387 -0.681 20 0 DBADRM Cn1cnnc1CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000831046098 603652424 /nfs/dbraw/zinc/65/24/24/603652424.db2.gz KQQFZTMEXRVBRW-UHFFFAOYSA-N -1 0 310.358 -0.495 20 0 DBADRM CC(C)(CNC(=O)C1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000823907386 603653453 /nfs/dbraw/zinc/65/34/53/603653453.db2.gz OGDGWZMREZQSKQ-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000830853568 603655000 /nfs/dbraw/zinc/65/50/00/603655000.db2.gz YNRRYZIZMYDLAU-PWSUYJOCSA-N -1 0 310.354 -0.191 20 0 DBADRM CC(C)(CNC(=O)CCC(=O)N1CCOCC1)NC(=O)[O-] ZINC000823907916 603661269 /nfs/dbraw/zinc/66/12/69/603661269.db2.gz RHFMSPDJHCEKLE-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)C(C)(C)CNC(=O)[O-])CC1 ZINC000828573672 603668710 /nfs/dbraw/zinc/66/87/10/603668710.db2.gz VUQYAEUTRXYDKX-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)NCC(C)(C)NC(=O)[O-])c2=O ZINC000831054636 603670017 /nfs/dbraw/zinc/67/00/17/603670017.db2.gz IHKNHSUWAMLYKC-UHFFFAOYSA-N -1 0 322.325 -0.708 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCSC[C@@H]1S(C)(=O)=O ZINC000827518027 603682840 /nfs/dbraw/zinc/68/28/40/603682840.db2.gz GOFXVKHWHRWSDW-YUMQZZPRSA-N -1 0 310.397 -0.021 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)Cn1ccnc1 ZINC000828095465 603683849 /nfs/dbraw/zinc/68/38/49/603683849.db2.gz IUNPBSJUHLVMSI-UHFFFAOYSA-N -1 0 309.326 -0.836 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000827513640 603684854 /nfs/dbraw/zinc/68/48/54/603684854.db2.gz CDZHXDCPNWRQLY-VIFPVBQESA-N -1 0 300.359 -0.559 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)C(C)(C)CNC(=O)[O-])CC1 ZINC000829698749 603685416 /nfs/dbraw/zinc/68/54/16/603685416.db2.gz CEZBWJYDHZJOML-OAQYLSRUSA-N -1 0 319.427 -0.197 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)CCN1C(=O)[O-] ZINC000825999775 603686466 /nfs/dbraw/zinc/68/64/66/603686466.db2.gz BKANTGASNPUUQA-UWVGGRQHSA-N -1 0 319.383 -0.185 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000829687320 603687310 /nfs/dbraw/zinc/68/73/10/603687310.db2.gz KIHXDLGLFAQBEC-IUCAKERBSA-N -1 0 322.387 -0.729 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000827242279 603687846 /nfs/dbraw/zinc/68/78/46/603687846.db2.gz OGLOMGFJQBHIIA-UHFFFAOYSA-N -1 0 322.321 -0.355 20 0 DBADRM C[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1CNC(=O)[O-] ZINC000825904953 603688544 /nfs/dbraw/zinc/68/85/44/603688544.db2.gz JMWSDWLGPWGAIA-RKDXNWHRSA-N -1 0 312.326 -0.567 20 0 DBADRM C[C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@@H]1CNC(=O)[O-] ZINC000825914025 603692591 /nfs/dbraw/zinc/69/25/91/603692591.db2.gz WOXPCDVUACPJSB-VHSXEESVSA-N -1 0 324.337 -0.156 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000828526349 603698434 /nfs/dbraw/zinc/69/84/34/603698434.db2.gz MLVKJYAGFWHUFP-QWRGUYRKSA-N -1 0 315.370 -0.014 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000826109359 603708831 /nfs/dbraw/zinc/70/88/31/603708831.db2.gz KGIJAFZSZGIBJT-AXFHLTTASA-N -1 0 315.370 -0.063 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3CCN(C(=O)[O-])C3)CCN2C1=O ZINC000827200065 603713434 /nfs/dbraw/zinc/71/34/34/603713434.db2.gz RCZWLRMNAABHSW-NXEZZACHSA-N -1 0 324.337 -0.519 20 0 DBADRM COCCS(=O)(=O)CC(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000829018728 603715439 /nfs/dbraw/zinc/71/54/39/603715439.db2.gz VPSSEHHUZWLIEL-SECBINFHSA-N -1 0 308.356 -0.742 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCCO[C@@H]1CCOC1 ZINC000831681053 603715442 /nfs/dbraw/zinc/71/54/42/603715442.db2.gz PNNSDVLGJBJBQL-MNOVXSKESA-N -1 0 302.327 -0.323 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCCO[C@@H]1CCOC1 ZINC000831681051 603715732 /nfs/dbraw/zinc/71/57/32/603715732.db2.gz PNNSDVLGJBJBQL-GHMZBOCLSA-N -1 0 302.327 -0.323 20 0 DBADRM C[C@@H](CCNC(=O)CN1C(=O)NC(=O)C1(C)C)NC(=O)[O-] ZINC000824786445 603721048 /nfs/dbraw/zinc/72/10/48/603721048.db2.gz MHGDHWZDIYDKLX-ZETCQYMHSA-N -1 0 300.315 -0.521 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NCC[C@H](C)NC(=O)[O-] ZINC000827044658 603721187 /nfs/dbraw/zinc/72/11/87/603721187.db2.gz AZZJTUMVBFNTEY-VIFPVBQESA-N -1 0 309.388 -0.180 20 0 DBADRM CCc1nnc2n1C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])CC2 ZINC000827655544 603722740 /nfs/dbraw/zinc/72/27/40/603722740.db2.gz ICXZBDZMTQCKJK-KXUCPTDWSA-N -1 0 323.353 -0.615 20 0 DBADRM Cn1ccnc(N2CCN(C(=O)CCCNC(=O)[O-])CC2)c1=O ZINC000831026799 603727805 /nfs/dbraw/zinc/72/78/05/603727805.db2.gz MTQHNJYMGVPDLR-UHFFFAOYSA-N -1 0 323.353 -0.523 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCC(=O)Nc1cccnc1 ZINC000831433859 603732137 /nfs/dbraw/zinc/73/21/37/603732137.db2.gz XHQHXQKKLQQUNU-MNOVXSKESA-N -1 0 322.321 -0.360 20 0 DBADRM CO[C@@H](CNC(=O)CN1CCN(C(=O)[O-])CC1=O)C(C)C ZINC000828842628 603735754 /nfs/dbraw/zinc/73/57/54/603735754.db2.gz BGDASYYXWHRELB-JTQLQIEISA-N -1 0 301.343 -0.404 20 0 DBADRM C[C@H](CC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O)NC(=O)[O-] ZINC000824636630 603736843 /nfs/dbraw/zinc/73/68/43/603736843.db2.gz PBDUQFHKFRQWKU-UTLUCORTSA-N -1 0 321.399 -0.133 20 0 DBADRM CN(CC(=O)O[C@H]1CN(C(=O)[O-])CCC1=O)c1ncccn1 ZINC000828120212 603737443 /nfs/dbraw/zinc/73/74/43/603737443.db2.gz GAFXEWGBTZASIA-JTQLQIEISA-N -1 0 308.294 -0.223 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000829797046 603737609 /nfs/dbraw/zinc/73/76/09/603737609.db2.gz YDAOXDXNXBRREH-IWSPIJDZSA-N -1 0 307.372 -0.523 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CC(OCC(F)F)C2)C(=O)C1 ZINC000832031431 603741890 /nfs/dbraw/zinc/74/18/90/603741890.db2.gz MTMDWAFEVAXNAS-UHFFFAOYSA-N -1 0 321.280 -0.699 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC000826111100 603741995 /nfs/dbraw/zinc/74/19/95/603741995.db2.gz ZDISPYOLLIKESF-IUCAKERBSA-N -1 0 320.367 -0.253 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000828313535 603742992 /nfs/dbraw/zinc/74/29/92/603742992.db2.gz ZNRAYWVUVKRLFS-JTQLQIEISA-N -1 0 319.383 -0.520 20 0 DBADRM COC(=O)[C@H]1COCCN1C(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828641879 603743787 /nfs/dbraw/zinc/74/37/87/603743787.db2.gz RPIGWSFEYOFSFD-NXEZZACHSA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)COC1CN(C(=O)[O-])C1 ZINC000824907826 603744993 /nfs/dbraw/zinc/74/49/93/603744993.db2.gz NTMFUJOPMKLIRC-JTQLQIEISA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)COC1CN(C(=O)[O-])C1 ZINC000824907827 603745044 /nfs/dbraw/zinc/74/50/44/603745044.db2.gz NTMFUJOPMKLIRC-SNVBAGLBSA-N -1 0 301.343 -0.798 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)COC1CN(C(=O)[O-])C1 ZINC000830979344 603753004 /nfs/dbraw/zinc/75/30/04/603753004.db2.gz WVWJSBNGZBCXRB-UHFFFAOYSA-N -1 0 301.328 -0.901 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CN(C)CCO2)CCN1C(=O)[O-] ZINC000825999989 603758179 /nfs/dbraw/zinc/75/81/79/603758179.db2.gz DPMOUXVUOPZCFY-MNOVXSKESA-N -1 0 300.359 -0.289 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@H]1Cn1cccn1 ZINC000831274747 603761238 /nfs/dbraw/zinc/76/12/38/603761238.db2.gz XYPHUIQQSIYUFC-WOPDTQHZSA-N -1 0 308.338 -0.013 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N(C)CCN1CCCS1(=O)=O ZINC000826743068 603762647 /nfs/dbraw/zinc/76/26/47/603762647.db2.gz GOEZYAZFJXIEGK-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM CN(CCCC(=O)N(C)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000828277554 603762930 /nfs/dbraw/zinc/76/29/30/603762930.db2.gz FHPRWRGTSKNOMH-UHFFFAOYSA-N -1 0 321.399 -0.130 20 0 DBADRM COCCN(CC(=O)N1CC[C@@](F)(C(=O)OC)C1)C(=O)[O-] ZINC000828971022 603763469 /nfs/dbraw/zinc/76/34/69/603763469.db2.gz LXZCLFUNMFWNSR-LBPRGKRZSA-N -1 0 306.290 -0.274 20 0 DBADRM O=C(CN1CCS(=O)(=O)CC1)OC[C@H]1CCN(C(=O)[O-])C1 ZINC000831488814 603764586 /nfs/dbraw/zinc/76/45/86/603764586.db2.gz LBLIBGGMWGJJGA-JTQLQIEISA-N -1 0 320.367 -0.740 20 0 DBADRM NC(=O)NC1CCN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000831208483 603765138 /nfs/dbraw/zinc/76/51/38/603765138.db2.gz PVCCSYLWKDAGMQ-JTQLQIEISA-N -1 0 313.358 -0.029 20 0 DBADRM O=C([O-])N1CC(OCC(=O)Nc2cccnc2-n2cncn2)C1 ZINC000831541722 603765532 /nfs/dbraw/zinc/76/55/32/603765532.db2.gz DTEBWBGZCNGZIX-UHFFFAOYSA-N -1 0 318.293 -0.020 20 0 DBADRM C[C@@H](CC(=O)N[C@@H](CC(N)=O)C1CCOCC1)NC(=O)[O-] ZINC000824615296 603766190 /nfs/dbraw/zinc/76/61/90/603766190.db2.gz SIXVXNKTBAYNHM-WPRPVWTQSA-N -1 0 301.343 -0.181 20 0 DBADRM NC(=O)CN(Cc1ccccc1)C(=O)COC1CN(C(=O)[O-])C1 ZINC000831189721 603768943 /nfs/dbraw/zinc/76/89/43/603768943.db2.gz DJCVVDCYXJZXTA-UHFFFAOYSA-N -1 0 321.333 -0.121 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)c2nccnc2C(N)=O)CC1 ZINC000827876550 603769253 /nfs/dbraw/zinc/76/92/53/603769253.db2.gz XYCJJTZVRVPCKS-UHFFFAOYSA-N -1 0 307.310 -0.210 20 0 DBADRM C[C@@H](C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O)N1C(=O)CCC1=O ZINC000823731273 603771625 /nfs/dbraw/zinc/77/16/25/603771625.db2.gz LEFOBXNQEUKJOQ-IONNQARKSA-N -1 0 312.278 -0.612 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)C1 ZINC000827960477 603772598 /nfs/dbraw/zinc/77/25/98/603772598.db2.gz JJOCTSYVVGWMRW-UWVGGRQHSA-N -1 0 313.354 -0.262 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)cn1 ZINC000827700316 603773702 /nfs/dbraw/zinc/77/37/02/603773702.db2.gz KDKPGBXDTPZKPG-VIFPVBQESA-N -1 0 309.326 -0.042 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)[O-])CCO1 ZINC000828662781 603775445 /nfs/dbraw/zinc/77/54/45/603775445.db2.gz FZYWWBOMWRJJJC-BDAKNGLRSA-N -1 0 318.351 -0.170 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000828664381 603776120 /nfs/dbraw/zinc/77/61/20/603776120.db2.gz ZMUGZEKSBPEQJT-TVQRCGJNSA-N -1 0 318.301 -0.131 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@H]2CCCN2C(=O)[O-])cnn1C ZINC000829877802 603776600 /nfs/dbraw/zinc/77/66/00/603776600.db2.gz VCJSNBSFNPAFIF-SECBINFHSA-N -1 0 309.326 -0.074 20 0 DBADRM COC(=O)/C(C)=C/COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000828600452 603778948 /nfs/dbraw/zinc/77/89/48/603778948.db2.gz JBLRIVXVNIMERZ-YCRREMRBSA-N -1 0 314.294 -0.529 20 0 DBADRM COC(=O)/C(C)=C\COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000828600439 603779253 /nfs/dbraw/zinc/77/92/53/603779253.db2.gz JBLRIVXVNIMERZ-OQFOIZHKSA-N -1 0 314.294 -0.529 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N(C)[C@H](C)CNC(=O)[O-])n1C ZINC000830887151 603779944 /nfs/dbraw/zinc/77/99/44/603779944.db2.gz AMONCJQJJWRCIZ-SECBINFHSA-N -1 0 312.374 -0.330 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N[C@@H]2CCN(C(=O)[O-])C2)n1C ZINC000830887475 603781587 /nfs/dbraw/zinc/78/15/87/603781587.db2.gz LOCTUBPAMPAJSQ-SNVBAGLBSA-N -1 0 310.358 -0.576 20 0 DBADRM CCOC(=O)[C@@H](C)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000827284932 603781951 /nfs/dbraw/zinc/78/19/51/603781951.db2.gz ROIZYKKJCFFFKP-VIFPVBQESA-N -1 0 315.326 -0.876 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)C[C@@H](C)NC(=O)[O-])CCN2C1=O ZINC000827198364 603785432 /nfs/dbraw/zinc/78/54/32/603785432.db2.gz IAENICYXRJOEKJ-BDAKNGLRSA-N -1 0 312.326 -0.473 20 0 DBADRM CN(C)c1ncc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])n1C ZINC000828078105 603790302 /nfs/dbraw/zinc/79/03/02/603790302.db2.gz UZOIHAYZLPHFFL-UWVGGRQHSA-N -1 0 311.342 -0.785 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N[C@@H]1CCN(C(N)=O)C1 ZINC000826110119 603790333 /nfs/dbraw/zinc/79/03/33/603790333.db2.gz OSWIVNMKWQRHGQ-DJLDLDEBSA-N -1 0 314.342 -0.241 20 0 DBADRM CC[C@@H](NC(=O)C[C@H](C)NC(=O)[O-])C(=O)N1CCOCC1 ZINC000826591488 603791119 /nfs/dbraw/zinc/79/11/19/603791119.db2.gz AHDLIJCTJSBOBD-VHSXEESVSA-N -1 0 301.343 -0.214 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000828599515 603791246 /nfs/dbraw/zinc/79/12/46/603791246.db2.gz AMBJEOPTHSQLMW-BDAKNGLRSA-N -1 0 308.356 -0.191 20 0 DBADRM CCN(CCCNC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)[O-] ZINC000827116656 603791600 /nfs/dbraw/zinc/79/16/00/603791600.db2.gz NMMPVZRMQMCRIY-UHFFFAOYSA-N -1 0 314.342 -0.177 20 0 DBADRM CC(=O)N1CCN([C@H]2CN(C(=O)CNC(=O)[O-])C[C@H]2C)CC1 ZINC000823562290 603792457 /nfs/dbraw/zinc/79/24/57/603792457.db2.gz SMJRWNFBUITNFM-PWSUYJOCSA-N -1 0 312.370 -0.735 20 0 DBADRM CC(=O)N1CCN([C@H]2CN(C(=O)CNC(=O)[O-])C[C@@H]2C)CC1 ZINC000823562289 603792626 /nfs/dbraw/zinc/79/26/26/603792626.db2.gz SMJRWNFBUITNFM-JQWIXIFHSA-N -1 0 312.370 -0.735 20 0 DBADRM C[C@H]1CN(C(=O)NCCN2C(=O)CCC2=O)CCN1C(=O)[O-] ZINC000826002617 603793957 /nfs/dbraw/zinc/79/39/57/603793957.db2.gz RUGDXKWDJBRLDC-VIFPVBQESA-N -1 0 312.326 -0.471 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000827312171 603794096 /nfs/dbraw/zinc/79/40/96/603794096.db2.gz BSLOEODWVYPBOD-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000827312169 603794309 /nfs/dbraw/zinc/79/43/09/603794309.db2.gz BSLOEODWVYPBOD-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828903996 603795817 /nfs/dbraw/zinc/79/58/17/603795817.db2.gz ROSZFVWBJMGHGH-ZJUUUORDSA-N -1 0 316.358 -0.469 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)OCC(=O)N2CCNC2=O)C1 ZINC000831915454 603798037 /nfs/dbraw/zinc/79/80/37/603798037.db2.gz YLPGKIKWTXTCGR-LLVKDONJSA-N -1 0 303.246 -0.827 20 0 DBADRM COC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])o1 ZINC000828772062 603799419 /nfs/dbraw/zinc/79/94/19/603799419.db2.gz KHKWYTQJJHTBAX-CBAPKCEASA-N -1 0 312.278 -0.204 20 0 DBADRM COC(=O)c1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])o1 ZINC000828772064 603799551 /nfs/dbraw/zinc/79/95/51/603799551.db2.gz KHKWYTQJJHTBAX-VXNVDRBHSA-N -1 0 312.278 -0.204 20 0 DBADRM COC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])o1 ZINC000828772061 603799776 /nfs/dbraw/zinc/79/97/76/603799776.db2.gz KHKWYTQJJHTBAX-APPZFPTMSA-N -1 0 312.278 -0.204 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000827248513 603800019 /nfs/dbraw/zinc/80/00/19/603800019.db2.gz CMHCROMPJYJKGB-MADCSZMMSA-N -1 0 319.289 -0.144 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000825988864 603800118 /nfs/dbraw/zinc/80/01/18/603800118.db2.gz PIXOXHSNXXUVNZ-NOZJJQNGSA-N -1 0 318.301 -0.131 20 0 DBADRM C[C@@H](OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)N1CCNC1=O ZINC000825544230 603800374 /nfs/dbraw/zinc/80/03/74/603800374.db2.gz KRCTVTJTUQEWFA-JMCQJSRRSA-N -1 0 317.273 -0.438 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCOC[C@@H]1CCCO1 ZINC000831693351 603804043 /nfs/dbraw/zinc/80/40/43/603804043.db2.gz NAGFZBAEIMCEKD-DCAQKATOSA-N -1 0 302.327 -0.589 20 0 DBADRM CC(C)[C@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)NC(=O)[O-] ZINC000824110220 603804572 /nfs/dbraw/zinc/80/45/72/603804572.db2.gz GAFKSVSZIQTHJO-QMMMGPOBSA-N -1 0 314.342 -0.275 20 0 DBADRM COCCN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C[C@@H]1C ZINC000828990084 603813681 /nfs/dbraw/zinc/81/36/81/603813681.db2.gz DOQIAZQOUWSCLQ-TUAOUCFPSA-N -1 0 315.370 -0.721 20 0 DBADRM NC(=O)C[C@H](NC(=O)CC1CN(C(=O)[O-])C1)C1CCOCC1 ZINC000831178202 603815391 /nfs/dbraw/zinc/81/53/91/603815391.db2.gz FKVGGMRLTZYKHZ-NSHDSACASA-N -1 0 313.354 -0.227 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)CC3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000831004199 603816245 /nfs/dbraw/zinc/81/62/45/603816245.db2.gz DKYWDJSCCJTXPT-LLVKDONJSA-N -1 0 321.337 -0.359 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000828684156 603816659 /nfs/dbraw/zinc/81/66/59/603816659.db2.gz QKXFBNXHAYOCEI-DTWKUNHWSA-N -1 0 316.310 -0.260 20 0 DBADRM CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000828551732 603816673 /nfs/dbraw/zinc/81/66/73/603816673.db2.gz GIKWMZNFIIDCEV-HTQZYQBOSA-N -1 0 301.299 -0.094 20 0 DBADRM C[C@H](CO)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000824442964 607652347 /nfs/dbraw/zinc/65/23/47/607652347.db2.gz ZLWGTTZRPGUZRC-RXMQYKEDSA-N -1 0 319.293 -0.196 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCCNC(=O)C1CCC1 ZINC000831676115 603824105 /nfs/dbraw/zinc/82/41/05/603824105.db2.gz LVWXBQRYKGUZEZ-GHMZBOCLSA-N -1 0 313.354 -0.478 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCCNC(=O)C1CCC1 ZINC000831675578 603824225 /nfs/dbraw/zinc/82/42/25/603824225.db2.gz FPNSFEMZPGHPFH-NSHDSACASA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCCNC(=O)C1CCC1 ZINC000831676132 603824304 /nfs/dbraw/zinc/82/43/04/603824304.db2.gz LVWXBQRYKGUZEZ-WDEREUQCSA-N -1 0 313.354 -0.478 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000831273978 603824549 /nfs/dbraw/zinc/82/45/49/603824549.db2.gz UUBDASFWESSPDH-BIIVOSGPSA-N -1 0 312.244 -0.111 20 0 DBADRM NC(=O)CN1CCC(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000831189574 603825634 /nfs/dbraw/zinc/82/56/34/603825634.db2.gz BZQBZYKFAUFMCB-CYBMUJFWSA-N -1 0 316.333 -0.856 20 0 DBADRM COCCCNC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000828950668 603826821 /nfs/dbraw/zinc/82/68/21/603826821.db2.gz OVYGFQWMFLZYBB-IVZWLZJFSA-N -1 0 318.326 -0.816 20 0 DBADRM C[C@H](OC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)NC(C)(C)C ZINC000825552426 603828386 /nfs/dbraw/zinc/82/83/86/603828386.db2.gz PJCGXMJVKZVREA-DJLDLDEBSA-N -1 0 302.327 -0.054 20 0 DBADRM CCN(CC)C(=O)[C@H](C)OC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000827019718 603828435 /nfs/dbraw/zinc/82/84/35/603828435.db2.gz CENAEEMKFOJHAA-GUBZILKMSA-N -1 0 302.327 -0.100 20 0 DBADRM C[C@@]1(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC000825755060 603828523 /nfs/dbraw/zinc/82/85/23/603828523.db2.gz IIIZUWVPQSFUPH-GHMZBOCLSA-N -1 0 308.331 -0.228 20 0 DBADRM CCN(CC)C(=O)[C@H](C)OC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000827019722 603828701 /nfs/dbraw/zinc/82/87/01/603828701.db2.gz CENAEEMKFOJHAA-LPEHRKFASA-N -1 0 302.327 -0.100 20 0 DBADRM C[C@H](OC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])C(=O)NC(C)(C)C ZINC000825552421 603828747 /nfs/dbraw/zinc/82/87/47/603828747.db2.gz PJCGXMJVKZVREA-CIUDSAMLSA-N -1 0 302.327 -0.054 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000829733514 603828965 /nfs/dbraw/zinc/82/89/65/603828965.db2.gz ZQEPCKSRIGXRPC-IUCAKERBSA-N -1 0 316.383 -0.388 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)NC[C@H](O)c1cnn(C)c1 ZINC000829729136 603829512 /nfs/dbraw/zinc/82/95/12/603829512.db2.gz CEXHWJPGEFCYFF-ZJUUUORDSA-N -1 0 316.383 -0.041 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000831272520 603830564 /nfs/dbraw/zinc/83/05/64/603830564.db2.gz KDMNKNUPGHWOGQ-BYULHYEWSA-N -1 0 312.244 -0.375 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000831272522 603830668 /nfs/dbraw/zinc/83/06/68/603830668.db2.gz KDMNKNUPGHWOGQ-MATHAZKKSA-N -1 0 312.244 -0.375 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000831282136 603831028 /nfs/dbraw/zinc/83/10/28/603831028.db2.gz BMSYZEBFALMKLG-XCBNKYQSSA-N -1 0 312.244 -0.109 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)CC2CN(C(=O)[O-])C2)CCO1 ZINC000827300895 603831732 /nfs/dbraw/zinc/83/17/32/603831732.db2.gz XYFFFCTXHXKCJM-SNVBAGLBSA-N -1 0 300.311 -0.223 20 0 DBADRM CCOC(=O)C1(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CCC1 ZINC000827289072 603831802 /nfs/dbraw/zinc/83/18/02/603831802.db2.gz BBECIPBGDFCMAF-NXEZZACHSA-N -1 0 314.338 -0.051 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000825698409 603833209 /nfs/dbraw/zinc/83/32/09/603833209.db2.gz XNXMPHAUMJPNCS-QMMMGPOBSA-N -1 0 312.326 -0.521 20 0 DBADRM CC(C)(C)OC(=O)CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000823785757 603835218 /nfs/dbraw/zinc/83/52/18/603835218.db2.gz RGPRPYZDSNTKOI-DTWKUNHWSA-N -1 0 302.327 -0.052 20 0 DBADRM C[C@H](CNC(=O)[C@]1(F)CCN(C(=O)[O-])C1)N1CCOCC1 ZINC000824916577 603837784 /nfs/dbraw/zinc/83/77/84/603837784.db2.gz SSFCWAQZCIYDHR-MFKMUULPSA-N -1 0 303.334 -0.085 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)CC1CN(C(=O)[O-])C1 ZINC000829675541 603838388 /nfs/dbraw/zinc/83/83/88/603838388.db2.gz XVVAWVRMZYVMRT-UHFFFAOYSA-N -1 0 308.356 -0.836 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)n1C ZINC000830887259 603840752 /nfs/dbraw/zinc/84/07/52/603840752.db2.gz FHSHHIJGUKZHPI-JTQLQIEISA-N -1 0 324.385 -0.234 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000824907883 603843753 /nfs/dbraw/zinc/84/37/53/603843753.db2.gz OZLDEPZTVIYNOI-GXFFZTMASA-N -1 0 303.334 -0.085 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000831260266 603844155 /nfs/dbraw/zinc/84/41/55/603844155.db2.gz LZUMHYHMWNPSHO-PHDIDXHHSA-N -1 0 311.298 -0.364 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000828684414 603847442 /nfs/dbraw/zinc/84/74/42/603847442.db2.gz VAAYOXHTJCSWTB-DJLDLDEBSA-N -1 0 316.310 -0.356 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCC(=O)NCC(F)(F)F)C1 ZINC000831489121 603848650 /nfs/dbraw/zinc/84/86/50/603848650.db2.gz NTPFVVADTYHCIC-VIFPVBQESA-N -1 0 315.223 -0.127 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)NCCN(C)C(=O)[O-])CCO1 ZINC000828663298 603853048 /nfs/dbraw/zinc/85/30/48/603853048.db2.gz KLQZPSMQOVMCHY-VIFPVBQESA-N -1 0 303.315 -0.430 20 0 DBADRM CCN(CCNC(=O)N1CCO[C@H](CC(=O)OC)C1)C(=O)[O-] ZINC000827140803 603853933 /nfs/dbraw/zinc/85/39/33/603853933.db2.gz DOGIHAPUTLKWED-SNVBAGLBSA-N -1 0 317.342 -0.040 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000831239000 603864378 /nfs/dbraw/zinc/86/43/78/603864378.db2.gz CEHIWDLFKUKJJX-KWQFWETISA-N -1 0 323.346 -0.642 20 0 DBADRM CNC(=O)NC(=O)COC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000828551963 603866960 /nfs/dbraw/zinc/86/69/60/603866960.db2.gz JZORIASTNAVPIT-YUMQZZPRSA-N -1 0 301.299 -0.188 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NCC(C)(C)NC(=O)[O-] ZINC000827046659 603871523 /nfs/dbraw/zinc/87/15/23/603871523.db2.gz YGSBDGLNRPUAGO-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM C[C@@]1(C(=O)NC[C@H]2CCS(=O)(=O)C2)CCN(C(=O)[O-])C1 ZINC000825663156 603873394 /nfs/dbraw/zinc/87/33/94/603873394.db2.gz LNAPRCVYKLWZQC-BXKDBHETSA-N -1 0 304.368 -0.073 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000830978800 603879845 /nfs/dbraw/zinc/87/98/45/603879845.db2.gz MYBKBDFZFRCFLO-SNVBAGLBSA-N -1 0 303.319 -0.188 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000828639015 603880438 /nfs/dbraw/zinc/88/04/38/603880438.db2.gz DRPWLQNKHWIGFM-QPUJVOFHSA-N -1 0 304.274 -0.521 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])CC2)cn1 ZINC000831009411 603884260 /nfs/dbraw/zinc/88/42/60/603884260.db2.gz TWQKIVOWMDPEQT-VXGBXAGGSA-N -1 0 323.353 -0.818 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NCCCN2C(=O)CCC2=O)C1 ZINC000831902702 603885235 /nfs/dbraw/zinc/88/52/35/603885235.db2.gz QMGHIUBSINYVBC-CYBMUJFWSA-N -1 0 315.301 -0.266 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000825014837 603892046 /nfs/dbraw/zinc/89/20/46/603892046.db2.gz AWOGZURIVHRBPY-GZMMTYOYSA-N -1 0 310.347 -0.030 20 0 DBADRM CCCC[C@@H](CNC(=O)[O-])NC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000826794000 603899660 /nfs/dbraw/zinc/89/96/60/603899660.db2.gz GITNTTVIWSGSFI-UWVGGRQHSA-N -1 0 316.358 -0.292 20 0 DBADRM O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])NC1CCOCC1 ZINC000831502817 603902331 /nfs/dbraw/zinc/90/23/31/603902331.db2.gz CXOBKJSVJMRQPH-JTQLQIEISA-N -1 0 316.310 -0.796 20 0 DBADRM O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])NCC1CCC1 ZINC000831504693 603902620 /nfs/dbraw/zinc/90/26/20/603902620.db2.gz YQZHVSJMIFXJPJ-SNVBAGLBSA-N -1 0 300.311 -0.175 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000827476153 603904410 /nfs/dbraw/zinc/90/44/10/603904410.db2.gz UQDJRGVBYZPMJY-LBPRGKRZSA-N -1 0 321.399 -0.178 20 0 DBADRM C[C@H](CN(C)CCN1CCN(C(=O)[O-])CC1)CS(C)(=O)=O ZINC000824902457 603904961 /nfs/dbraw/zinc/90/49/61/603904961.db2.gz MJCKOHXPTCBKNI-GFCCVEGCSA-N -1 0 321.443 -0.106 20 0 DBADRM O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])NCc1ccco1 ZINC000831504239 603906243 /nfs/dbraw/zinc/90/62/43/603906243.db2.gz UYQIHBLLYWKETG-JTQLQIEISA-N -1 0 312.278 -0.182 20 0 DBADRM CCCCn1nnnc1COC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000826853452 603907491 /nfs/dbraw/zinc/90/74/91/603907491.db2.gz OFGXMIIJTPDPEI-SECBINFHSA-N -1 0 313.314 -0.105 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)cn1 ZINC000830995315 603920516 /nfs/dbraw/zinc/92/05/16/603920516.db2.gz YRRYSXYXYDNTDL-BXKDBHETSA-N -1 0 300.290 -0.338 20 0 DBADRM NC(=O)NC(=O)COC(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000831209071 603923881 /nfs/dbraw/zinc/92/38/81/603923881.db2.gz ZDDDKLRXEWTOMX-VIFPVBQESA-N -1 0 309.278 -0.224 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NCC1(O)CCC2(CC1)OCCO2 ZINC000825178626 603925710 /nfs/dbraw/zinc/92/57/10/603925710.db2.gz UGHJXFLPHWZHGD-VIFPVBQESA-N -1 0 302.327 -0.193 20 0 DBADRM C[C@]1(COC(=O)CN2CCN(C(=O)[O-])CC2=O)CCCO1 ZINC000825755557 603927023 /nfs/dbraw/zinc/92/70/23/603927023.db2.gz PFBMXFDDQNUDAX-CYBMUJFWSA-N -1 0 300.311 -0.079 20 0 DBADRM O=C([O-])N(CC(=O)N1CCc2n[nH]nc2C1)C[C@H]1CCCO1 ZINC000831819816 603928193 /nfs/dbraw/zinc/92/81/93/603928193.db2.gz AHFGJRSQPIBGQW-SECBINFHSA-N -1 0 309.326 -0.152 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])N[C@@H]1CC[S@](=O)C1 ZINC000831473580 603933946 /nfs/dbraw/zinc/93/39/46/603933946.db2.gz DIOSGPYUAUNFMD-ARNPGYACSA-N -1 0 304.368 -0.217 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NC1CCS(=O)(=O)CC1 ZINC000831603567 603935665 /nfs/dbraw/zinc/93/56/65/603935665.db2.gz FMUHENNQRGOAPV-MRVPVSSYSA-N -1 0 308.381 -0.267 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000825172412 603937064 /nfs/dbraw/zinc/93/70/64/603937064.db2.gz SPKROBHXXUZDPT-WPPNPWJKSA-N -1 0 312.326 -0.521 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000825172410 603937206 /nfs/dbraw/zinc/93/72/06/603937206.db2.gz SPKROBHXXUZDPT-FUXBKTLASA-N -1 0 312.326 -0.521 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)C(=O)OC ZINC000828646297 603942517 /nfs/dbraw/zinc/94/25/17/603942517.db2.gz HHYAFIFXKRYVHD-HLTSFMKQSA-N -1 0 316.310 -0.356 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000825002084 603961073 /nfs/dbraw/zinc/96/10/73/603961073.db2.gz SGNHRIOWXVCCLU-MXWKQRLJSA-N -1 0 302.327 -0.325 20 0 DBADRM C[C@@H](CC(=O)O[C@@H](C)C(=O)NC(=O)NC1CC1)NC(=O)[O-] ZINC000824721001 603961278 /nfs/dbraw/zinc/96/12/78/603961278.db2.gz QSPIMLRXPHCWSC-BQBZGAKWSA-N -1 0 301.299 -0.048 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)C1 ZINC000832239753 603962467 /nfs/dbraw/zinc/96/24/67/603962467.db2.gz PLRVBSFQMINWJA-XKSSXDPKSA-N -1 0 309.322 -0.171 20 0 DBADRM Cn1cc(C[C@@H]2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])C2)cn1 ZINC000831000243 603964013 /nfs/dbraw/zinc/96/40/13/603964013.db2.gz VXVCHGFPNBYJLY-WCFLWFBJSA-N -1 0 322.365 -0.076 20 0 DBADRM O=C([O-])N1CC(OCC(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000831538299 603968807 /nfs/dbraw/zinc/96/88/07/603968807.db2.gz ZFAMYZWEBHARGM-UHFFFAOYSA-N -1 0 318.293 -0.020 20 0 DBADRM NC(=O)[C@H]1CCCCC[C@H]1NC(=O)COCCNC(=O)[O-] ZINC000831172753 603969683 /nfs/dbraw/zinc/96/96/83/603969683.db2.gz JWXQGVWQHOQNSK-VHSXEESVSA-N -1 0 301.343 -0.179 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)COC1CN(C(=O)[O-])C1 ZINC000828426355 603973971 /nfs/dbraw/zinc/97/39/71/603973971.db2.gz BLTCQRHLHSYENR-UHFFFAOYSA-N -1 0 309.326 -0.439 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828970880 603980181 /nfs/dbraw/zinc/98/01/81/603980181.db2.gz ILEBBWPTRVXRHQ-QWRGUYRKSA-N -1 0 315.370 -0.014 20 0 DBADRM COC(=O)Cn1cc(NC(=O)COC2CN(C(=O)[O-])C2)cn1 ZINC000828699338 603981298 /nfs/dbraw/zinc/98/12/98/603981298.db2.gz FLKYSAVSCZKUQZ-UHFFFAOYSA-N -1 0 312.282 -0.627 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000826752597 603988578 /nfs/dbraw/zinc/98/85/78/603988578.db2.gz XRJZOHJLGDMNKV-VIFPVBQESA-N -1 0 322.383 -0.521 20 0 DBADRM CC(=O)NC[C@H]1CCCN(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000823575204 603989047 /nfs/dbraw/zinc/98/90/47/603989047.db2.gz NTFGMGFHUGXSCK-LLVKDONJSA-N -1 0 313.354 -0.260 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000828705103 603995898 /nfs/dbraw/zinc/99/58/98/603995898.db2.gz RDCRTWNUQXAKLR-SECBINFHSA-N -1 0 315.326 -0.288 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000824138122 603996793 /nfs/dbraw/zinc/99/67/93/603996793.db2.gz ZQAPQEPUMHPGEG-GFCCVEGCSA-N -1 0 323.353 -0.113 20 0 DBADRM Cn1cc(N2CCN(C(=O)CCCNC(=O)[O-])CC2=O)cn1 ZINC000831009569 603997336 /nfs/dbraw/zinc/99/73/36/603997336.db2.gz YALOHNHSIBNHCH-UHFFFAOYSA-N -1 0 309.326 -0.357 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000825507516 604000357 /nfs/dbraw/zinc/00/03/57/604000357.db2.gz CYAZYSGOQFZVFU-BDAKNGLRSA-N -1 0 307.372 -0.475 20 0 DBADRM CN(CCCNC(=O)N1CCc2nn(C)c(=O)cc2C1)C(=O)[O-] ZINC000828293711 604000766 /nfs/dbraw/zinc/00/07/66/604000766.db2.gz PTCNTFRSWFALSX-UHFFFAOYSA-N -1 0 323.353 -0.152 20 0 DBADRM C[C@H](NC(=O)COC1CN(C(=O)[O-])C1)[C@H](C)N1CCOCC1 ZINC000825125769 604001019 /nfs/dbraw/zinc/00/10/19/604001019.db2.gz BPIWCPJEFODERX-QWRGUYRKSA-N -1 0 315.370 -0.409 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000831222557 604004344 /nfs/dbraw/zinc/00/43/44/604004344.db2.gz LEBPBXHLNYYITH-SECBINFHSA-N -1 0 307.310 -0.268 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCCS(=O)(=O)CC2)C1 ZINC000831858577 604007013 /nfs/dbraw/zinc/00/70/13/604007013.db2.gz NJGAZBGUICDCBL-UHFFFAOYSA-N -1 0 306.340 -0.988 20 0 DBADRM COCCN1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000828993144 604007322 /nfs/dbraw/zinc/00/73/22/604007322.db2.gz XVDAKUIWTDLVSD-ZDUSSCGKSA-N -1 0 303.334 -0.131 20 0 DBADRM C[C@H](CCO)CNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000824810374 604007568 /nfs/dbraw/zinc/00/75/68/604007568.db2.gz PVFYSFRVEJVXHI-GFCCVEGCSA-N -1 0 316.402 -0.010 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCc2nc(COC)nn2C1 ZINC000827517774 604007986 /nfs/dbraw/zinc/00/79/86/604007986.db2.gz CIZALNMFMKVTLA-IUCAKERBSA-N -1 0 311.342 -0.098 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000824020223 604010828 /nfs/dbraw/zinc/01/08/28/604010828.db2.gz GOMVCTFZYISUEW-UHFFFAOYSA-N -1 0 314.371 -0.185 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000827227284 604010854 /nfs/dbraw/zinc/01/08/54/604010854.db2.gz CVOHIKCTUJMJPF-JTQLQIEISA-N -1 0 301.343 -0.798 20 0 DBADRM CCN1CCO[C@H](CNC(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000827227288 604011049 /nfs/dbraw/zinc/01/10/49/604011049.db2.gz CVOHIKCTUJMJPF-SNVBAGLBSA-N -1 0 301.343 -0.798 20 0 DBADRM NC(=O)c1csc(NC(=O)COC2CN(C(=O)[O-])C2)n1 ZINC000831241763 604012936 /nfs/dbraw/zinc/01/29/36/604012936.db2.gz YCRMBYVDWUDSSO-UHFFFAOYSA-N -1 0 300.296 -0.441 20 0 DBADRM CN(Cn1nnc2c(cnn2C)c1=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000828434813 604017173 /nfs/dbraw/zinc/01/71/73/604017173.db2.gz NNSRXRFQJBMNLN-QMMMGPOBSA-N -1 0 307.314 -0.833 20 0 DBADRM CN(C[C@@H]1CCN(Cn2nnc3c(cnn3C)c2=O)C1)C(=O)[O-] ZINC000828260372 604017406 /nfs/dbraw/zinc/01/74/06/604017406.db2.gz SUSQZBMYMNXIRG-VIFPVBQESA-N -1 0 321.341 -0.586 20 0 DBADRM NC(=O)NC1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000831208017 604020187 /nfs/dbraw/zinc/02/01/87/604020187.db2.gz IMNGPOUQDBTXQS-UHFFFAOYSA-N -1 0 300.315 -0.976 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)COC2CN(C(=O)[O-])C2)CC1=O ZINC000825860898 604021441 /nfs/dbraw/zinc/02/14/41/604021441.db2.gz LZYVAXXWDDEAFJ-YWVKMMECSA-N -1 0 311.338 -0.509 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825510355 604027159 /nfs/dbraw/zinc/02/71/59/604027159.db2.gz WXDSMDANCWFOJH-AEJSXWLSSA-N -1 0 319.383 -0.333 20 0 DBADRM COC(=O)C[C@H](C)C(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000828646710 604048639 /nfs/dbraw/zinc/04/86/39/604048639.db2.gz LCBLTVOCWSHTOS-NSHDSACASA-N -1 0 315.370 -0.060 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000827513605 604050877 /nfs/dbraw/zinc/05/08/77/604050877.db2.gz BERSNXZPMUNJGS-WVDJIFEKSA-N -1 0 305.400 -0.445 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1Cc1nc(CS(C)(=O)=O)no1 ZINC000826026855 604053929 /nfs/dbraw/zinc/05/39/29/604053929.db2.gz OWQPFKLEGLUXAV-MRVPVSSYSA-N -1 0 318.355 -0.202 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)[C@H]2COCCN2C(=O)[O-])C1=O ZINC000824350757 604058471 /nfs/dbraw/zinc/05/84/71/604058471.db2.gz FVNMIRHZGCSZMK-RKDXNWHRSA-N -1 0 313.310 -0.983 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H]2CSCN2C(=O)[O-])C1=O ZINC000824350097 604058608 /nfs/dbraw/zinc/05/86/08/604058608.db2.gz AANNFKGOQKMISO-SFYZADRCSA-N -1 0 315.351 -0.309 20 0 DBADRM CCN(CCCO)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000827130513 604075321 /nfs/dbraw/zinc/07/53/21/604075321.db2.gz ZSXMZSUVYZZPPR-UHFFFAOYSA-N -1 0 302.375 -0.304 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000832035861 604077968 /nfs/dbraw/zinc/07/79/68/604077968.db2.gz BXYFZGHIEBPHKA-TXEJJXNPSA-N -1 0 312.370 -0.145 20 0 DBADRM C[C@H](NC(N)=O)C(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825471910 604078930 /nfs/dbraw/zinc/07/89/30/604078930.db2.gz DBQCGBKCRYPPMM-VIFPVBQESA-N -1 0 316.358 -0.292 20 0 DBADRM CS(=O)(=O)Cc1noc(CN2CCC[C@@H]2CNC(=O)[O-])n1 ZINC000829679110 604079511 /nfs/dbraw/zinc/07/95/11/604079511.db2.gz GIWBERXXPPDENO-MRVPVSSYSA-N -1 0 318.355 -0.154 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CCC[C@H]1CNC(=O)[O-] ZINC000828904493 604082123 /nfs/dbraw/zinc/08/21/23/604082123.db2.gz UWNPIVHKCQSVPW-UWVGGRQHSA-N -1 0 316.358 -0.421 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)C[C@H](C)NC(=O)[O-])n1 ZINC000828547499 604083500 /nfs/dbraw/zinc/08/35/00/604083500.db2.gz RPIYSFCIOJJWET-LURJTMIESA-N -1 0 300.271 -0.553 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)[C@H]2CCN(C(=O)[O-])C2)n1 ZINC000828546321 604083683 /nfs/dbraw/zinc/08/36/83/604083683.db2.gz CKAFCPMRCKPZJB-ZETCQYMHSA-N -1 0 312.282 -0.599 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)C(C)(C)NC(=O)[O-])n1 ZINC000828547395 604083776 /nfs/dbraw/zinc/08/37/76/604083776.db2.gz QCDZKXKWGFIKMV-UHFFFAOYSA-N -1 0 300.271 -0.553 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)OC[C@@H]1CCN(C(=O)[O-])C1 ZINC000831265241 604086810 /nfs/dbraw/zinc/08/68/10/604086810.db2.gz DTTHXXWVDSZWGJ-MRVPVSSYSA-N -1 0 320.309 -0.048 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2C(=O)[O-])CC1 ZINC000828543349 604090569 /nfs/dbraw/zinc/09/05/69/604090569.db2.gz UIHXFXVHUMITRI-NSHDSACASA-N -1 0 312.370 -0.591 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)[C@@H](C)CN(C)C(=O)[O-])CC1 ZINC000828541912 604091807 /nfs/dbraw/zinc/09/18/07/604091807.db2.gz HZYOPBMOIYVFHD-JTQLQIEISA-N -1 0 314.386 -0.441 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)CC1(NC(=O)[O-])CCC1 ZINC000827480028 604091829 /nfs/dbraw/zinc/09/18/29/604091829.db2.gz BPPBJVMBSMODTH-UHFFFAOYSA-N -1 0 307.372 -0.378 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000824833326 604092545 /nfs/dbraw/zinc/09/25/45/604092545.db2.gz NBMSWPZYNFFEKJ-ZJUUUORDSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@@H](OC(=O)CC1CN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000825580991 604096922 /nfs/dbraw/zinc/09/69/22/604096922.db2.gz ZMJYFIDNIUALOM-SECBINFHSA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@@]1(C(=O)OCC(=O)NC(=O)NC2CC2)CCN(C(=O)[O-])C1 ZINC000825684867 604101028 /nfs/dbraw/zinc/10/10/28/604101028.db2.gz LVYOWJVNEPQHID-CYBMUJFWSA-N -1 0 313.310 -0.092 20 0 DBADRM O=C([O-])N1CCCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000832009744 604111283 /nfs/dbraw/zinc/11/12/83/604111283.db2.gz OJWPOJUCPOZUDT-JTQLQIEISA-N -1 0 321.337 -0.025 20 0 DBADRM CCN(CCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-] ZINC000827134688 604111920 /nfs/dbraw/zinc/11/19/20/604111920.db2.gz IPYGJNWCNGMALQ-VIFPVBQESA-N -1 0 309.326 -0.121 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000826019934 604111996 /nfs/dbraw/zinc/11/19/96/604111996.db2.gz IUIXNSCKPBLPJH-UWVGGRQHSA-N -1 0 321.337 -0.027 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000831590956 604113141 /nfs/dbraw/zinc/11/31/41/604113141.db2.gz HFKRWPUBWJPERN-RKDXNWHRSA-N -1 0 307.310 -0.369 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000828683657 604116347 /nfs/dbraw/zinc/11/63/47/604116347.db2.gz KOPQNLSFTWKFPJ-ISVAXAHUSA-N -1 0 316.310 -0.403 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000828683659 604116374 /nfs/dbraw/zinc/11/63/74/604116374.db2.gz KOPQNLSFTWKFPJ-SDBXPKJASA-N -1 0 316.310 -0.403 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)N[C@@H]1CCN(C(=O)[O-])C1)CC2 ZINC000831049886 604127855 /nfs/dbraw/zinc/12/78/55/604127855.db2.gz CGUVKVJJENJJKP-SNVBAGLBSA-N -1 0 321.337 -0.400 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000824382431 604128468 /nfs/dbraw/zinc/12/84/68/604128468.db2.gz QAYOXVFCDQUASR-SECBINFHSA-N -1 0 309.388 -0.324 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])CC1 ZINC000827475792 604131624 /nfs/dbraw/zinc/13/16/24/604131624.db2.gz NRTIBDKMRXQOER-JTQLQIEISA-N -1 0 321.399 -0.274 20 0 DBADRM O=C([O-])NC1(CC(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)CCC1 ZINC000832194053 604132381 /nfs/dbraw/zinc/13/23/81/604132381.db2.gz KVCQASVEHANSNH-SECBINFHSA-N -1 0 309.322 -0.027 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000825017259 604134408 /nfs/dbraw/zinc/13/44/08/604134408.db2.gz YVMFZCROJCNFMA-RKDXNWHRSA-N -1 0 307.372 -0.187 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000824830149 604135573 /nfs/dbraw/zinc/13/55/73/604135573.db2.gz CDGKQNBUHGADAD-OQPBUACISA-N -1 0 312.326 -0.615 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CCN(C(=O)[O-])CC2)c1=O ZINC000831022600 604144014 /nfs/dbraw/zinc/14/40/14/604144014.db2.gz LBLYWJSBPNSMIP-UHFFFAOYSA-N -1 0 308.294 -0.854 20 0 DBADRM COCCN(CC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)C(=O)[O-] ZINC000828971350 604148596 /nfs/dbraw/zinc/14/85/96/604148596.db2.gz WNLCLJGXAHKDTD-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CC2(NC(=O)[O-])CCC2)CCO1 ZINC000828639720 604150633 /nfs/dbraw/zinc/15/06/33/604150633.db2.gz GZMDJOXYHGJBJP-VIFPVBQESA-N -1 0 300.311 -0.033 20 0 DBADRM Cn1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])n1 ZINC000831022902 604166630 /nfs/dbraw/zinc/16/66/30/604166630.db2.gz RVGHKUCHNLCAOP-IUCAKERBSA-N -1 0 309.326 -0.089 20 0 DBADRM O=C([O-])N1CCC(CNC(=O)N2CCO[C@H](CO)C2)CC1 ZINC000831879022 604167577 /nfs/dbraw/zinc/16/75/77/604167577.db2.gz RJKKHILSYBATEE-NSHDSACASA-N -1 0 301.343 -0.221 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000824847534 604179907 /nfs/dbraw/zinc/17/99/07/604179907.db2.gz IVELGUQWNHHVMJ-ONGXEEELSA-N -1 0 323.353 -0.113 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000824847531 604179998 /nfs/dbraw/zinc/17/99/98/604179998.db2.gz IVELGUQWNHHVMJ-GXSJLCMTSA-N -1 0 323.353 -0.113 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000824842594 604201414 /nfs/dbraw/zinc/20/14/14/604201414.db2.gz ZSEYKRGMNIBJGL-VIFPVBQESA-N -1 0 308.338 -0.089 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2CSCN2C(=O)[O-])C1=O ZINC000824350096 604211821 /nfs/dbraw/zinc/21/18/21/604211821.db2.gz AANNFKGOQKMISO-JGVFFNPUSA-N -1 0 315.351 -0.309 20 0 DBADRM NS(=O)(=O)c1cccnc1N1CCC[C@@H](NC(=O)[O-])C1 ZINC000738446782 604213751 /nfs/dbraw/zinc/21/37/51/604213751.db2.gz RAHCBXGDFAXWGQ-MRVPVSSYSA-N -1 0 300.340 -0.035 20 0 DBADRM CC1(OC(=O)CCN2CCCS2(=O)=O)CN(C(=O)[O-])C1 ZINC000825760233 604218978 /nfs/dbraw/zinc/21/89/78/604218978.db2.gz LOMMPVVDJUMMBI-UHFFFAOYSA-N -1 0 306.340 -0.293 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000824839455 604222888 /nfs/dbraw/zinc/22/28/88/604222888.db2.gz BVTLDBKLEDGIBG-MQJDWESPSA-N -1 0 319.427 -0.245 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CCNC(N)=O ZINC000826115166 604223787 /nfs/dbraw/zinc/22/37/87/604223787.db2.gz BXTIUASDRSINLR-SFYZADRCSA-N -1 0 302.331 -0.336 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)OC2(C)CN(C(=O)[O-])C2)nn1 ZINC000827967515 604225046 /nfs/dbraw/zinc/22/50/46/604225046.db2.gz YXAMGIYYPZYTIL-UHFFFAOYSA-N -1 0 311.298 -0.725 20 0 DBADRM CC(C)(C(=O)N1C[C@H](O)C[C@H](O)C1)N1CCN(C(=O)[O-])CC1 ZINC000823738114 604229809 /nfs/dbraw/zinc/22/98/09/604229809.db2.gz RWJXOUHEJUTLNE-PHIMTYICSA-N -1 0 315.370 -0.985 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000828670821 604230343 /nfs/dbraw/zinc/23/03/43/604230343.db2.gz KRTZUBAZJIPYBR-SECBINFHSA-N -1 0 323.371 -0.542 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000826108839 604230912 /nfs/dbraw/zinc/23/09/12/604230912.db2.gz HLMMLQDISWETIA-QEYWKRMJSA-N -1 0 302.327 -0.556 20 0 DBADRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000832140696 604231354 /nfs/dbraw/zinc/23/13/54/604231354.db2.gz NJBVXEIBXJQJMW-XQQFMLRXSA-N -1 0 308.334 -0.181 20 0 DBADRM O=C([O-])N(CC(=O)N1C[C@H](O)C[C@H](O)C1)C[C@@H]1CCCO1 ZINC000831826274 604231560 /nfs/dbraw/zinc/23/15/60/604231560.db2.gz NZKFVDXLJSRFRE-AXFHLTTASA-N -1 0 302.327 -0.901 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)CC1(NC(=O)[O-])CCC1 ZINC000828551691 604234680 /nfs/dbraw/zinc/23/46/80/604234680.db2.gz FDKCTMLOYBEQII-ZETCQYMHSA-N -1 0 301.299 -0.046 20 0 DBADRM C[C@@H](OC(=O)[C@@H](C)CN(C)C(=O)[O-])C(=O)N1CCNC1=O ZINC000824880693 604243533 /nfs/dbraw/zinc/24/35/33/604243533.db2.gz KYEBEAIKAQRZNK-JGVFFNPUSA-N -1 0 301.299 -0.284 20 0 DBADRM CC(C)[C@@H](OC(=O)[C@@H](C)CN(C)C(=O)[O-])C(=O)NC(N)=O ZINC000824880915 604248492 /nfs/dbraw/zinc/24/84/92/604248492.db2.gz PQXFVVHIJAMADV-JGVFFNPUSA-N -1 0 303.315 -0.005 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000825016465 604249762 /nfs/dbraw/zinc/24/97/62/604249762.db2.gz QOQIXDSXOUJGBU-VXNVDRBHSA-N -1 0 307.324 -0.468 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)NCCN(C)C(=O)[O-])n1 ZINC000827974770 604249892 /nfs/dbraw/zinc/24/98/92/604249892.db2.gz FPGOMAFIWRTPEJ-UHFFFAOYSA-N -1 0 313.318 -0.902 20 0 DBADRM CS(=O)(=O)NCCOC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000829688921 604252880 /nfs/dbraw/zinc/25/28/80/604252880.db2.gz XGYWJRRVXCNDKA-IUCAKERBSA-N -1 0 308.356 -0.095 20 0 DBADRM COCCN(CC(=O)N1CCN(C)C(=O)C1(C)C)C(=O)[O-] ZINC000828970902 604256983 /nfs/dbraw/zinc/25/69/83/604256983.db2.gz IXQZYEAGWJHJFC-UHFFFAOYSA-N -1 0 301.343 -0.308 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000825254721 604260976 /nfs/dbraw/zinc/26/09/76/604260976.db2.gz OHESIZIAADCKQW-DTWKUNHWSA-N -1 0 324.341 -0.728 20 0 DBADRM COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828617930 604264683 /nfs/dbraw/zinc/26/46/83/604264683.db2.gz JQSMKVMBKXDNTF-QPUJVOFHSA-N -1 0 304.274 -0.521 20 0 DBADRM COC(=O)[C@@]1(F)CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828617929 604264863 /nfs/dbraw/zinc/26/48/63/604264863.db2.gz JQSMKVMBKXDNTF-PRHODGIISA-N -1 0 304.274 -0.521 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000831699480 604273194 /nfs/dbraw/zinc/27/31/94/604273194.db2.gz KAJOJQMQJHFJGS-JTQLQIEISA-N -1 0 319.383 -0.137 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000831645527 604273229 /nfs/dbraw/zinc/27/32/29/604273229.db2.gz CCFBMHBWRZXGMP-DTWKUNHWSA-N -1 0 305.356 -0.385 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCC[C@H](CNC(=O)[O-])C2)nn1 ZINC000825528091 604274681 /nfs/dbraw/zinc/27/46/81/604274681.db2.gz JGZJLZKDFOQVGA-VHSXEESVSA-N -1 0 311.342 -0.162 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000828662582 604275152 /nfs/dbraw/zinc/27/51/52/604275152.db2.gz BHQBTIFUIQYCGG-ZJUUUORDSA-N -1 0 316.310 -0.844 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)NC[C@H]2CCCCN2C(=O)[O-])nn1 ZINC000825527504 604277592 /nfs/dbraw/zinc/27/75/92/604277592.db2.gz DUBRBWVMBUZJBE-NXEZZACHSA-N -1 0 311.342 -0.020 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)nn1 ZINC000825527713 604278746 /nfs/dbraw/zinc/27/87/46/604278746.db2.gz GFBCZEYBTPZGQL-ZJUUUORDSA-N -1 0 311.342 -0.210 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCC(N(C)C(=O)[O-])CC2)nn1 ZINC000825528379 604278850 /nfs/dbraw/zinc/27/88/50/604278850.db2.gz LYJGQRTZWPJSGI-SECBINFHSA-N -1 0 311.342 -0.068 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])nn1 ZINC000825528371 604278776 /nfs/dbraw/zinc/27/87/76/604278776.db2.gz LVVJBMPULXSHMR-IVZWLZJFSA-N -1 0 311.342 -0.116 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)nn1 ZINC000825528383 604278797 /nfs/dbraw/zinc/27/87/97/604278797.db2.gz MATJIPWKYHIMGN-LPEHRKFASA-N -1 0 311.342 -0.164 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)nn1 ZINC000825527711 604278832 /nfs/dbraw/zinc/27/88/32/604278832.db2.gz GFBCZEYBTPZGQL-VHSXEESVSA-N -1 0 311.342 -0.210 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000828648560 604282540 /nfs/dbraw/zinc/28/25/40/604282540.db2.gz UVCSFMYAYSHIOC-UWVGGRQHSA-N -1 0 300.311 -0.177 20 0 DBADRM CN1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)C(C)(C)C1=O ZINC000828493811 604285151 /nfs/dbraw/zinc/28/51/51/604285151.db2.gz CZRUAPDVFYIHHO-JTQLQIEISA-N -1 0 313.354 -0.166 20 0 DBADRM COC(=O)[C@@]1(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCOC1 ZINC000828624527 604285173 /nfs/dbraw/zinc/28/51/73/604285173.db2.gz PHLAGEQDTAYPGZ-NOZJJQNGSA-N -1 0 316.310 -0.796 20 0 DBADRM COC[C@](C)(NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C(=O)OC ZINC000828885651 604286751 /nfs/dbraw/zinc/28/67/51/604286751.db2.gz KWTJWWAAEMBSDI-RNCFNFMXSA-N -1 0 318.326 -0.550 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000828298736 604303034 /nfs/dbraw/zinc/30/30/34/604303034.db2.gz WKKLNHPTGXRNGS-VIFPVBQESA-N -1 0 307.372 -0.137 20 0 DBADRM CC(=O)N1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)[C@H](C)C1 ZINC000823555096 604305184 /nfs/dbraw/zinc/30/51/84/604305184.db2.gz AGFPTFMGPRJIOR-ZYHUDNBSSA-N -1 0 313.354 -0.166 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000830993003 604305205 /nfs/dbraw/zinc/30/52/05/604305205.db2.gz DJNLJGAGHCUHMY-QWRGUYRKSA-N -1 0 312.326 -0.661 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)c1ccn(C)c1 ZINC000828095861 604314346 /nfs/dbraw/zinc/31/43/46/604314346.db2.gz PZNIKRKGGYUKTH-UHFFFAOYSA-N -1 0 308.338 -0.081 20 0 DBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)CNC(=O)[O-] ZINC000826692101 604323231 /nfs/dbraw/zinc/32/32/31/604323231.db2.gz ZXFOWHZEWRZAGP-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)CN(C)C(=O)[O-] ZINC000826690694 604323277 /nfs/dbraw/zinc/32/32/77/604323277.db2.gz LORSIRFBZWORMH-ZJUUUORDSA-N -1 0 321.399 -0.228 20 0 DBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000829160189 604323716 /nfs/dbraw/zinc/32/37/16/604323716.db2.gz FSEOMIFRXWHLPK-DBIOUOCHSA-N -1 0 318.395 -0.117 20 0 DBADRM C[C@@H](CC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000824553362 604324045 /nfs/dbraw/zinc/32/40/45/604324045.db2.gz XWAIQGZZJMPMLW-VIFPVBQESA-N -1 0 321.399 -0.085 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 ZINC000827513806 604324691 /nfs/dbraw/zinc/32/46/91/604324691.db2.gz FXEYOTNIPADQRU-JTQLQIEISA-N -1 0 321.399 -0.085 20 0 DBADRM CN(CC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000828086204 604325185 /nfs/dbraw/zinc/32/51/85/604325185.db2.gz PSJJJHFQJTXBBN-UHFFFAOYSA-N -1 0 307.372 -0.521 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739984222 604335875 /nfs/dbraw/zinc/33/58/75/604335875.db2.gz QBTIYFRTAMRZGD-MRVPVSSYSA-N -1 0 314.385 -0.907 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](NC(=O)[O-])C2)C[C@@H](C)O1 ZINC000739186705 604337278 /nfs/dbraw/zinc/33/72/78/604337278.db2.gz BKVLXOVFTWVNHP-OPRDCNLKSA-N -1 0 307.372 -0.318 20 0 DBADRM COCCc1cc(NC(=O)Cn2cc(C(=O)[O-])nn2)n(C)n1 ZINC000831788097 604342846 /nfs/dbraw/zinc/34/28/46/604342846.db2.gz FIXRVLSQIYKTLP-UHFFFAOYSA-N -1 0 308.298 -0.463 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)NCc1cc(C(N)=O)no1 ZINC000829730925 604345258 /nfs/dbraw/zinc/34/52/58/604345258.db2.gz PBPUDDFUYDZCMT-SSDOTTSWSA-N -1 0 316.339 -0.221 20 0 DBADRM C[C@H](CCNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)NC(=O)[O-] ZINC000824794442 604350365 /nfs/dbraw/zinc/35/03/65/604350365.db2.gz UPLMCBWVUPRAGY-VGMNWLOBSA-N -1 0 302.331 -0.635 20 0 DBADRM CC1(O)CCN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000825760275 604350366 /nfs/dbraw/zinc/35/03/66/604350366.db2.gz MHBHRMFGRKXDLE-NSHDSACASA-N -1 0 312.370 -0.110 20 0 DBADRM CCc1oc(C(=O)[O-])cc1CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000830374804 604351365 /nfs/dbraw/zinc/35/13/65/604351365.db2.gz GUEQDDPRJOLFGB-SNVBAGLBSA-N -1 0 321.333 -0.317 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)NC2CCN(C(=O)[O-])CC2)O1 ZINC000831174235 604351439 /nfs/dbraw/zinc/35/14/39/604351439.db2.gz RECIICZISOREFO-VHSXEESVSA-N -1 0 314.342 -0.539 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@H](CO)OC[C@H]1C)C(=O)[O-] ZINC000826785732 604353252 /nfs/dbraw/zinc/35/32/52/604353252.db2.gz CJXSPWINMMVPME-UTUOFQBUSA-N -1 0 302.371 -0.317 20 0 DBADRM Cc1sc(C(=O)[O-])cc1CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000833031860 604354178 /nfs/dbraw/zinc/35/41/78/604354178.db2.gz OYVGTCRCCIEKHO-SNVBAGLBSA-N -1 0 323.374 -0.103 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000826027178 604354373 /nfs/dbraw/zinc/35/43/73/604354373.db2.gz RLQJZJQFBZIFBS-OPRDCNLKSA-N -1 0 314.342 -0.587 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC[C@@H](NC(=O)[O-])C2)O1 ZINC000831173955 604355176 /nfs/dbraw/zinc/35/51/76/604355176.db2.gz PLGFQBPWZCZTIF-UTLUCORTSA-N -1 0 314.342 -0.539 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@H]2CNC(=O)[O-])O1 ZINC000831173375 604356443 /nfs/dbraw/zinc/35/64/43/604356443.db2.gz MEZDPFLHBATCSU-AEJSXWLSSA-N -1 0 314.342 -0.539 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)N2CCN(C(=O)[O-])CC2)O1 ZINC000831174161 604356614 /nfs/dbraw/zinc/35/66/14/604356614.db2.gz RAUQDMZPQGRYJY-DTWKUNHWSA-N -1 0 300.315 -0.976 20 0 DBADRM Cn1ncc2c1ncnc2N1CCN(CCNC(=O)[O-])CC1 ZINC000831055404 604357771 /nfs/dbraw/zinc/35/77/71/604357771.db2.gz UQPROAOTCRJLHZ-UHFFFAOYSA-N -1 0 305.342 -0.247 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CC[C@@H](NC(=O)[O-])C1 ZINC000739808446 604370098 /nfs/dbraw/zinc/37/00/98/604370098.db2.gz SJRVWTCAQBKUGN-RKDXNWHRSA-N -1 0 302.331 -0.811 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CCSCC(=O)[O-] ZINC000833089704 604372505 /nfs/dbraw/zinc/37/25/05/604372505.db2.gz UZKIUXKCKXVOOV-VIFPVBQESA-N -1 0 324.424 -0.136 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)O1 ZINC000831172618 604379482 /nfs/dbraw/zinc/37/94/82/604379482.db2.gz IZXZVHBUXIAKSJ-RGNHYFCHSA-N -1 0 303.290 -0.773 20 0 DBADRM CN1CCN(C(=O)CCN2CCOCC2)[C@H](CNC(=O)[O-])C1 ZINC000828496817 604396271 /nfs/dbraw/zinc/39/62/71/604396271.db2.gz ZXODWXBZTSQLPI-GFCCVEGCSA-N -1 0 314.386 -0.881 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C[C@H](O)CN1CCCC1=O ZINC000827015736 604404619 /nfs/dbraw/zinc/40/46/19/604404619.db2.gz HDUIGCBMODVYRL-NWDGAFQWSA-N -1 0 302.371 -0.220 20 0 DBADRM CN1CCN(C(=O)c2cccc(C(N)=O)c2)[C@H](CNC(=O)[O-])C1 ZINC000828512952 604406178 /nfs/dbraw/zinc/40/61/78/604406178.db2.gz CSRGHKFJGGOEDQ-GFCCVEGCSA-N -1 0 320.349 -0.191 20 0 DBADRM CCN1CCO[C@@H](C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])C1 ZINC000827229100 604407110 /nfs/dbraw/zinc/40/71/10/604407110.db2.gz UKJROKKJSRNDBQ-NWDGAFQWSA-N -1 0 314.386 -0.883 20 0 DBADRM CON(C)C(=O)[C@H](CCSC)NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000831836536 604407814 /nfs/dbraw/zinc/40/78/14/604407814.db2.gz JUTKLMCKFXUWBR-CIUDSAMLSA-N -1 0 304.368 -0.035 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)CC1 ZINC000833081488 604409167 /nfs/dbraw/zinc/40/91/67/604409167.db2.gz HESLCHVFRZLALE-UHFFFAOYSA-N -1 0 320.273 -0.041 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)[C@@H](CNC(=O)[O-])C1 ZINC000828493716 604410216 /nfs/dbraw/zinc/41/02/16/604410216.db2.gz CDBBJBXJSNPDPE-MNOVXSKESA-N -1 0 312.370 -0.735 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC2CN(C(=O)[O-])C2)cn1C ZINC000828760722 604413915 /nfs/dbraw/zinc/41/39/15/604413915.db2.gz HTXNPUXUTWTNEA-UHFFFAOYSA-N -1 0 317.323 -0.548 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000824961089 604416817 /nfs/dbraw/zinc/41/68/17/604416817.db2.gz YBGMAHXVOPFNET-HRDYMLBCSA-N -1 0 302.331 -0.683 20 0 DBADRM C[C@@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)[C@@H]1CN(C)CCO1 ZINC000827741249 604417787 /nfs/dbraw/zinc/41/77/87/604417787.db2.gz JLNFFFIGARUFQF-MNOVXSKESA-N -1 0 320.411 -0.120 20 0 DBADRM C[C@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)[C@H]1CN(C)CCO1 ZINC000827741251 604417838 /nfs/dbraw/zinc/41/78/38/604417838.db2.gz JLNFFFIGARUFQF-WDEREUQCSA-N -1 0 320.411 -0.120 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)C2(NC(=O)[O-])CC2)cc1 ZINC000831252066 604419162 /nfs/dbraw/zinc/41/91/62/604419162.db2.gz QLXMCDPGZWKESX-UHFFFAOYSA-N -1 0 313.335 -0.250 20 0 DBADRM NC(=O)CNC(=O)c1cccc(NC(=O)C2(NC(=O)[O-])CC2)c1 ZINC000831190211 604428569 /nfs/dbraw/zinc/42/85/69/604428569.db2.gz PSGOYAMLZNYSJP-UHFFFAOYSA-N -1 0 320.305 -0.360 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CN1CCC(=O)NC1=O ZINC000827002348 604434295 /nfs/dbraw/zinc/43/42/95/604434295.db2.gz XMQPFEHGLSZOHD-VIFPVBQESA-N -1 0 315.326 -0.735 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000827011284 604444609 /nfs/dbraw/zinc/44/46/09/604444609.db2.gz NOQITKFJVNUKNQ-VIFPVBQESA-N -1 0 313.310 -0.564 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000829683481 604445038 /nfs/dbraw/zinc/44/50/38/604445038.db2.gz SVSOEHMYVALQLW-UHFFFAOYSA-N -1 0 319.383 -0.426 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)Cn1cc([C@H](C)O)nn1 ZINC000827006738 604452107 /nfs/dbraw/zinc/45/21/07/604452107.db2.gz NYJULARQTINAOH-ONGXEEELSA-N -1 0 314.342 -0.332 20 0 DBADRM CNC(=O)c1ccc(N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)nn1 ZINC000828560421 604454450 /nfs/dbraw/zinc/45/44/50/604454450.db2.gz CJQONGBLXVSXBL-WPRPVWTQSA-N -1 0 309.326 -0.303 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000740590130 604461421 /nfs/dbraw/zinc/46/14/21/604461421.db2.gz WDPDKLQLSWKKMV-SECBINFHSA-N -1 0 305.294 -0.636 20 0 DBADRM CCn1cc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])nc1C ZINC000050265552 604462872 /nfs/dbraw/zinc/46/28/72/604462872.db2.gz XDMJZYCQASWYKN-BDAKNGLRSA-N -1 0 303.340 -0.580 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)o1 ZINC000740340066 604472057 /nfs/dbraw/zinc/47/20/57/604472057.db2.gz GHQVBQSMUPRUDS-ZCFIWIBFSA-N -1 0 303.296 -0.591 20 0 DBADRM O=C([O-])N1CC(NC(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 ZINC000831567486 604478685 /nfs/dbraw/zinc/47/86/85/604478685.db2.gz PVOKXPRXVBOCNK-UHFFFAOYSA-N -1 0 322.325 -0.355 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H](C)O)c1 ZINC000831242627 604482839 /nfs/dbraw/zinc/48/28/39/604482839.db2.gz MANZDVRHCIFRIT-SSDOTTSWSA-N -1 0 317.319 -0.170 20 0 DBADRM O=C([O-])[C@@H](c1ccccc1F)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000833360379 604484302 /nfs/dbraw/zinc/48/43/02/604484302.db2.gz HCTPMUJTTGSADN-BXKDBHETSA-N -1 0 321.308 -0.406 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)C3(NC(=O)[O-])CC3)CC2)[nH]1 ZINC000830750470 604484843 /nfs/dbraw/zinc/48/48/43/604484843.db2.gz BYBRPQNXKDPUCS-UHFFFAOYSA-N -1 0 308.342 -0.442 20 0 DBADRM CN(C(=O)C1(NC(=O)[O-])CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000827740533 604487958 /nfs/dbraw/zinc/48/79/58/604487958.db2.gz ZZQKKQBENJHCMU-UHFFFAOYSA-N -1 0 319.383 -0.331 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)CCO1 ZINC000825357967 604490666 /nfs/dbraw/zinc/49/06/66/604490666.db2.gz CLWNXSRXMCTFFK-AXFHLTTASA-N -1 0 322.383 -0.148 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)CCO1 ZINC000825357974 604490680 /nfs/dbraw/zinc/49/06/80/604490680.db2.gz CLWNXSRXMCTFFK-GARJFASQSA-N -1 0 322.383 -0.148 20 0 DBADRM CCN(CC)S(=O)(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827045005 604491356 /nfs/dbraw/zinc/49/13/56/604491356.db2.gz FMPNDFUJHKHBJV-NXEZZACHSA-N -1 0 309.388 -0.070 20 0 DBADRM COCCn1cc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)ccc1=O ZINC000739838322 604492280 /nfs/dbraw/zinc/49/22/80/604492280.db2.gz CSIZGIBASUWRSC-LLVKDONJSA-N -1 0 309.322 -0.023 20 0 DBADRM CN(CCCNC(=O)N1CCC[C@H]1CC(=O)[O-])S(C)(=O)=O ZINC000830772315 604492808 /nfs/dbraw/zinc/49/28/08/604492808.db2.gz GSNCGIQDLLJRQT-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000829833476 604494835 /nfs/dbraw/zinc/49/48/35/604494835.db2.gz KUKRNYMUTGCGKV-IONNQARKSA-N -1 0 318.355 -0.236 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)CCO1 ZINC000825371632 604496176 /nfs/dbraw/zinc/49/61/76/604496176.db2.gz HCCMTXOYRYFHMD-SCZZXKLOSA-N -1 0 318.355 -0.534 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)NCCN1CCCS1(=O)=O ZINC000406056127 604505742 /nfs/dbraw/zinc/50/57/42/604505742.db2.gz XYZWLYMHMMYRMD-SNVBAGLBSA-N -1 0 319.383 -0.329 20 0 DBADRM COC(=O)C[C@@H]1CCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000831143859 604516687 /nfs/dbraw/zinc/51/66/87/604516687.db2.gz HWMFKQPXSHHNJX-VIFPVBQESA-N -1 0 308.356 -0.335 20 0 DBADRM CCc1noc(C)c1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000820503858 604520320 /nfs/dbraw/zinc/52/03/20/604520320.db2.gz ILPQZLCBVZPJBS-SECBINFHSA-N -1 0 311.294 -0.204 20 0 DBADRM COCCN(CC(=O)N1CCN2C(=O)OC[C@H]2C1)C(=O)[O-] ZINC000828970790 604521885 /nfs/dbraw/zinc/52/18/85/604521885.db2.gz GMQNNPNZGOMIKO-SECBINFHSA-N -1 0 301.299 -0.724 20 0 DBADRM COC(=O)C[C@@H](C)N1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000828646452 604522314 /nfs/dbraw/zinc/52/23/14/604522314.db2.gz KDFNPQAASRODLT-SNVBAGLBSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000831283042 604522657 /nfs/dbraw/zinc/52/26/57/604522657.db2.gz JNPNIGZJBUDXIE-YUMQZZPRSA-N -1 0 301.324 -0.298 20 0 DBADRM C[C@@]1([C@H]2CCCN(C(=O)C3(NC(=O)[O-])CC3)C2)NC(=O)NC1=O ZINC000825740215 604523505 /nfs/dbraw/zinc/52/35/05/604523505.db2.gz SZXYQVRPNCZGHG-SDBXPKJASA-N -1 0 324.337 -0.377 20 0 DBADRM O=C([O-])NC1(C(=O)NCC2(O)CCC3(CC2)OCCO3)CC1 ZINC000832161270 604523766 /nfs/dbraw/zinc/52/37/66/604523766.db2.gz CMKCKGBXSPDCSN-UHFFFAOYSA-N -1 0 314.338 -0.049 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C1(NC(=O)[O-])CC1 ZINC000828579805 604526230 /nfs/dbraw/zinc/52/62/30/604526230.db2.gz QNWOFWMXGBWHGG-MRVPVSSYSA-N -1 0 305.356 -0.673 20 0 DBADRM CC(C)NC(=O)CNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000824367607 604529112 /nfs/dbraw/zinc/52/91/12/604529112.db2.gz GHIDBKWGHZJGJQ-VHSXEESVSA-N -1 0 316.358 -0.423 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000833080635 604535400 /nfs/dbraw/zinc/53/54/00/604535400.db2.gz QIUVZTOWUQWCLU-LURJTMIESA-N -1 0 311.319 -0.281 20 0 DBADRM O=C([O-])N1CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)CC1 ZINC000832024907 604538839 /nfs/dbraw/zinc/53/88/39/604538839.db2.gz QITSWAFVUKIAQR-VIFPVBQESA-N -1 0 305.356 -0.431 20 0 DBADRM COC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000831637595 604541346 /nfs/dbraw/zinc/54/13/46/604541346.db2.gz KYXJFPWMDBCRMB-LBPRGKRZSA-N -1 0 316.335 -0.102 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)NCCCNC(=O)[O-])CC1 ZINC000829670216 604547427 /nfs/dbraw/zinc/54/74/27/604547427.db2.gz XHRNDBBFVFTBEY-UHFFFAOYSA-N -1 0 307.372 -0.137 20 0 DBADRM C[C@H](CCNC(=O)N1C[C@H]2OCCN(C)[C@@H]2C1)NC(=O)[O-] ZINC000824785647 604548011 /nfs/dbraw/zinc/54/80/11/604548011.db2.gz GWWILYWWCPPUBG-GMTAPVOTSA-N -1 0 300.359 -0.243 20 0 DBADRM COC[C@H](CCO)NC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000831651148 604550117 /nfs/dbraw/zinc/55/01/17/604550117.db2.gz RJTKENNSKMIMHU-QMMMGPOBSA-N -1 0 316.335 -0.102 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)N2CC[C@@H](NC(=O)[O-])C2)n1 ZINC000828699967 604551236 /nfs/dbraw/zinc/55/12/36/604551236.db2.gz OIGZCXPGQRBNOP-MRVPVSSYSA-N -1 0 311.298 -0.070 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCC[S@](C)=O)CCO1 ZINC000825318874 604553282 /nfs/dbraw/zinc/55/32/82/604553282.db2.gz QFOVPGWYXMYFLV-WDKLKTEZSA-N -1 0 307.372 -0.569 20 0 DBADRM CC[S@](=O)CCNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827486965 604553333 /nfs/dbraw/zinc/55/33/33/604553333.db2.gz BKKIIGOICYMDNV-ULQSSITMSA-N -1 0 321.399 -0.179 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)N[C@@H]2CCN(C)C2=O)CCO1 ZINC000825308302 604554337 /nfs/dbraw/zinc/55/43/37/604554337.db2.gz DOXOAQLUZQHUQO-IVZWLZJFSA-N -1 0 314.342 -0.716 20 0 DBADRM C[C@@H](NC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1)C(=O)N(C)C ZINC000825317360 604559649 /nfs/dbraw/zinc/55/96/49/604559649.db2.gz FINLJHTZLXMRGS-OPRDCNLKSA-N -1 0 316.358 -0.470 20 0 DBADRM CCN1CCN(CC(=O)N2CCC[C@H]2CC(=O)[O-])C(=O)C1=O ZINC000829770020 604563375 /nfs/dbraw/zinc/56/33/75/604563375.db2.gz AOJXYJYOKTUANX-JTQLQIEISA-N -1 0 311.338 -0.857 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)CCN1CCCS1(=O)=O ZINC000833207442 604567423 /nfs/dbraw/zinc/56/74/23/604567423.db2.gz ACGHSEZISYPZQQ-SNVBAGLBSA-N -1 0 304.368 -0.122 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CCC[C@H]1CC(=O)[O-])c2=O ZINC000833062270 604573410 /nfs/dbraw/zinc/57/34/10/604573410.db2.gz MAJJBIFQNCQEMH-VIFPVBQESA-N -1 0 319.321 -0.404 20 0 DBADRM COc1ncccc1NC(=O)C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739982177 604573895 /nfs/dbraw/zinc/57/38/95/604573895.db2.gz BRVMNBLUMLIOEY-MRVPVSSYSA-N -1 0 308.294 -0.103 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827250917 604576806 /nfs/dbraw/zinc/57/68/06/604576806.db2.gz VQMOSTQVYLALDX-SNVBAGLBSA-N -1 0 313.358 -0.205 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)NCCCNC(=O)[O-])C1 ZINC000827250193 604578764 /nfs/dbraw/zinc/57/87/64/604578764.db2.gz RGBYIPSFYHUNPX-SECBINFHSA-N -1 0 301.347 -0.253 20 0 DBADRM C[C@@H](NC(=O)NC1CN(C(=O)[O-])C1)[C@H](C)N1CCOCC1 ZINC000825160512 604584080 /nfs/dbraw/zinc/58/40/80/604584080.db2.gz BPFDBTCGJYJWMO-ZJUUUORDSA-N -1 0 300.359 -0.243 20 0 DBADRM CCc1nc2n(n1)C[C@@H](NC(=O)NC1CN(C(=O)[O-])C1)CC2 ZINC000827645471 604588335 /nfs/dbraw/zinc/58/83/35/604588335.db2.gz WYLNYDVUOXUXTG-QMMMGPOBSA-N -1 0 308.342 -0.183 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000829669294 604589730 /nfs/dbraw/zinc/58/97/30/604589730.db2.gz MKYYMVBHOXFAEO-JTQLQIEISA-N -1 0 320.367 -0.599 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CC(=O)N2CCOCC2)CCO1 ZINC000825344878 604592991 /nfs/dbraw/zinc/59/29/91/604592991.db2.gz PZKOMDMWWPHYTO-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM CN(CC(C)(CO)CO)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000689248903 604595514 /nfs/dbraw/zinc/59/55/14/604595514.db2.gz OPWNNBAZQMHWSL-UHFFFAOYSA-N -1 0 307.324 -0.411 20 0 DBADRM CC[C@@H](O)CCNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000826625682 604595651 /nfs/dbraw/zinc/59/56/51/604595651.db2.gz HNPHTFHXKPNMPK-LLVKDONJSA-N -1 0 302.375 -0.258 20 0 DBADRM CNC(=O)NC(=O)CCN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828552013 604601299 /nfs/dbraw/zinc/60/12/99/604601299.db2.gz KRUQSOWHNZRCDD-DTWKUNHWSA-N -1 0 302.331 -0.811 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000828684610 604609147 /nfs/dbraw/zinc/60/91/47/604609147.db2.gz YNNPVGAPLCDHRQ-GUBZILKMSA-N -1 0 317.342 -0.979 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827250169 604612160 /nfs/dbraw/zinc/61/21/60/604612160.db2.gz QRXQJGGVLRSHLY-UTLUCORTSA-N -1 0 316.358 -0.423 20 0 DBADRM C[C@H]1CN(C(=O)NC2CN(C(=O)[O-])C2)C[C@@H]1N1CCOCC1 ZINC000825995353 604613372 /nfs/dbraw/zinc/61/33/72/604613372.db2.gz GQZIKQSJSAXOLP-JQWIXIFHSA-N -1 0 312.370 -0.289 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)NC1CN(C(=O)[O-])C1 ZINC000827472724 604613379 /nfs/dbraw/zinc/61/33/79/604613379.db2.gz YBLLCUGLJFHPFG-QMMMGPOBSA-N -1 0 307.372 -0.187 20 0 DBADRM C[C@@H]1CN(C(=O)NC2CN(C(=O)[O-])C2)C[C@@H]1N1CCOCC1 ZINC000825995354 604613561 /nfs/dbraw/zinc/61/35/61/604613561.db2.gz GQZIKQSJSAXOLP-PWSUYJOCSA-N -1 0 312.370 -0.289 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CCCS(=O)(=O)N(C)C)CCO1 ZINC000825353911 604614173 /nfs/dbraw/zinc/61/41/73/604614173.db2.gz YSUJOCNBVVAGLQ-QWRGUYRKSA-N -1 0 323.415 -0.375 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CCCS(=O)(=O)N(C)C)CCO1 ZINC000825353910 604614290 /nfs/dbraw/zinc/61/42/90/604614290.db2.gz YSUJOCNBVVAGLQ-MNOVXSKESA-N -1 0 323.415 -0.375 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000828573576 604617736 /nfs/dbraw/zinc/61/77/36/604617736.db2.gz UAFBKONFYDTNLI-VIFPVBQESA-N -1 0 320.371 -0.928 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000828552070 604618264 /nfs/dbraw/zinc/61/82/64/604618264.db2.gz MPYXKQPIBRPFDC-CIUDSAMLSA-N -1 0 302.331 -0.813 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828552127 604618578 /nfs/dbraw/zinc/61/85/78/604618578.db2.gz MPYXKQPIBRPFDC-VGMNWLOBSA-N -1 0 302.331 -0.813 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CC(=O)N2CCO[C@H](C)C2)CCO1 ZINC000825983139 604620034 /nfs/dbraw/zinc/62/00/34/604620034.db2.gz HDBSSDULWGANPN-IJLUTSLNSA-N -1 0 315.370 -0.409 20 0 DBADRM CCOCCN1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000827399544 604621300 /nfs/dbraw/zinc/62/13/00/604621300.db2.gz JMBLEIHINZFBOR-UHFFFAOYSA-N -1 0 300.359 -0.288 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCCCN1CCCC1=O ZINC000831380579 604639161 /nfs/dbraw/zinc/63/91/61/604639161.db2.gz FOAJZNXVMXXBRM-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM CN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000827745257 604659562 /nfs/dbraw/zinc/65/95/62/604659562.db2.gz IJORRRWWQBGFCS-DTWKUNHWSA-N -1 0 306.340 -0.989 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCN2CCOCC2)CCO1 ZINC000825302921 604665403 /nfs/dbraw/zinc/66/54/03/604665403.db2.gz TZENGKODKMFXHW-NEPJUHHUSA-N -1 0 315.370 -0.408 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000833090863 604668854 /nfs/dbraw/zinc/66/88/54/604668854.db2.gz JZTFVUOBJWKHFR-MRVPVSSYSA-N -1 0 304.310 -0.126 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCO1 ZINC000825334006 604671912 /nfs/dbraw/zinc/67/19/12/604671912.db2.gz DPVPVYSZWBUHOB-KOLCDFICSA-N -1 0 309.322 -0.118 20 0 DBADRM CCN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000826971471 604673863 /nfs/dbraw/zinc/67/38/63/604673863.db2.gz XPBCVDCCMYSZEC-VHSXEESVSA-N -1 0 320.367 -0.599 20 0 DBADRM CCCC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000826705482 604674306 /nfs/dbraw/zinc/67/43/06/604674306.db2.gz ANOMYGUXNUTSNT-VHSXEESVSA-N -1 0 301.343 -0.214 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCc2nnc3n2CCCCC3)C1 ZINC000831730381 604674345 /nfs/dbraw/zinc/67/43/45/604674345.db2.gz FIVWDQYZOOFJLY-JTQLQIEISA-N -1 0 323.353 -0.001 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCc1nnc2n1CCC2 ZINC000831387258 604674478 /nfs/dbraw/zinc/67/44/78/604674478.db2.gz FIFFCWDTBPAUDE-VIFPVBQESA-N -1 0 309.326 -0.391 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCNC(=O)c2ccco2)C1 ZINC000831689499 604676457 /nfs/dbraw/zinc/67/64/57/604676457.db2.gz SETQMHZLABVYAZ-SNVBAGLBSA-N -1 0 311.294 -0.496 20 0 DBADRM C[C@H](OC(=O)CN1CSCC1=O)c1cn(CC(=O)[O-])nn1 ZINC000827833764 604680116 /nfs/dbraw/zinc/68/01/16/604680116.db2.gz OXCLHWVPXTZLOC-ZETCQYMHSA-N -1 0 314.323 -0.500 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)C2=NN(C)C(=O)CC2)CCO1 ZINC000825295140 604682928 /nfs/dbraw/zinc/68/29/28/604682928.db2.gz SATOLGFPKMHNEL-WPRPVWTQSA-N -1 0 312.326 -0.522 20 0 DBADRM CCn1nc(C(=O)O[C@H](C)c2cn(CC(=O)[O-])nn2)ccc1=O ZINC000830434172 604687779 /nfs/dbraw/zinc/68/77/79/604687779.db2.gz BMKKFWHQGBMCEJ-MRVPVSSYSA-N -1 0 321.293 -0.143 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)Nc2ccc(-n3cncn3)nc2)C1 ZINC000831756706 604688470 /nfs/dbraw/zinc/68/84/70/604688470.db2.gz GPMYXTZYXPWHBW-SNVBAGLBSA-N -1 0 318.293 -0.020 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cccn(C)c2=O)CCO1 ZINC000825335786 604688800 /nfs/dbraw/zinc/68/88/00/604688800.db2.gz PJBFYVPBTOVMSU-ONGXEEELSA-N -1 0 309.322 -0.118 20 0 DBADRM COC(=O)[C@H]1CCCN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828632255 604691546 /nfs/dbraw/zinc/69/15/46/604691546.db2.gz QERLUFNLJDLGAT-NXEZZACHSA-N -1 0 300.311 -0.081 20 0 DBADRM COC(=O)Cn1cc(CCOC(=O)C(C)(C)NC(=O)[O-])nn1 ZINC000831192553 604694519 /nfs/dbraw/zinc/69/45/19/604694519.db2.gz NWDMRPNIVYGRCV-UHFFFAOYSA-N -1 0 314.298 -0.417 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCO1 ZINC000825295021 604695250 /nfs/dbraw/zinc/69/52/50/604695250.db2.gz QWXZGAHCIUZQPY-AXFHLTTASA-N -1 0 301.343 -0.800 20 0 DBADRM C[C@H]1CC(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833591741 604696574 /nfs/dbraw/zinc/69/65/74/604696574.db2.gz IEZDLGALLXIVMQ-QMMMGPOBSA-N -1 0 313.335 -0.321 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000832050188 604696875 /nfs/dbraw/zinc/69/68/75/604696875.db2.gz NPGOVHCLMZHVKC-NSHDSACASA-N -1 0 321.337 -0.496 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000826944889 604697114 /nfs/dbraw/zinc/69/71/14/604697114.db2.gz LPMZMFVSKZKHCI-VHSXEESVSA-N -1 0 322.383 -0.305 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000833115211 604699795 /nfs/dbraw/zinc/69/97/95/604699795.db2.gz DOPXOFWJIJQOBA-LBPRGKRZSA-N -1 0 322.317 -0.246 20 0 DBADRM CNC(=O)[C@@H]1CCCCN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828532238 604701317 /nfs/dbraw/zinc/70/13/17/604701317.db2.gz OHFLEMUUZGHEHC-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM Cc1cc(C)n(CC(=O)OCCc2cn(CC(=O)[O-])nn2)n1 ZINC000832880874 604702785 /nfs/dbraw/zinc/70/27/85/604702785.db2.gz KYHRIAAMXUOAPV-UHFFFAOYSA-N -1 0 307.310 -0.038 20 0 DBADRM COC(=O)C1(O)CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000833701645 604703578 /nfs/dbraw/zinc/70/35/78/604703578.db2.gz FDZWRPKGBCVMHS-QMMMGPOBSA-N -1 0 309.340 -0.963 20 0 DBADRM CN(C(=O)Cn1ccc(=O)n(C)c1=O)C1(C(=O)[O-])CCCC1 ZINC000320186226 604710461 /nfs/dbraw/zinc/71/04/61/604710461.db2.gz PMBQRCCWHNIKLY-UHFFFAOYSA-N -1 0 309.322 -0.597 20 0 DBADRM NC(=O)CC1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831185401 604719236 /nfs/dbraw/zinc/71/92/36/604719236.db2.gz UXHWXPMGPJUUPE-LLVKDONJSA-N -1 0 313.354 -0.131 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000825301111 604726014 /nfs/dbraw/zinc/72/60/14/604726014.db2.gz IFQCFKJXBPUBNX-ZJUUUORDSA-N -1 0 322.383 -0.307 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000829984228 604735171 /nfs/dbraw/zinc/73/51/71/604735171.db2.gz IUAYWSFGYUGELE-SECBINFHSA-N -1 0 314.298 -0.987 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CC1SC(=N)NC1=O ZINC000829947194 604735621 /nfs/dbraw/zinc/73/56/21/604735621.db2.gz LDUKWIIVWWIFRA-RNFRBKRXSA-N -1 0 303.340 -0.509 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN2CCN(C)CC2)CCO1 ZINC000825300319 604736322 /nfs/dbraw/zinc/73/63/22/604736322.db2.gz CWRGHZWUBXILSO-NEPJUHHUSA-N -1 0 314.386 -0.883 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000833259855 604739040 /nfs/dbraw/zinc/73/90/40/604739040.db2.gz PUNAKJLARLDBND-JTQLQIEISA-N -1 0 306.274 -0.315 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1nnc2n1CCC2 ZINC000825096084 604741365 /nfs/dbraw/zinc/74/13/65/604741365.db2.gz YXEIVJSKEOTUOQ-BDAKNGLRSA-N -1 0 309.326 -0.220 20 0 DBADRM COC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828630547 604745723 /nfs/dbraw/zinc/74/57/23/604745723.db2.gz IRZBMSAJSZJCKY-UWVGGRQHSA-N -1 0 300.311 -0.081 20 0 DBADRM NC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CN(C(=O)[O-])C1 ZINC000740334196 604748547 /nfs/dbraw/zinc/74/85/47/604748547.db2.gz YQUQPXOABHGIJJ-NSHDSACASA-N -1 0 306.322 -0.256 20 0 DBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC1CN(C(=O)[O-])C1 ZINC000740386793 604748897 /nfs/dbraw/zinc/74/88/97/604748897.db2.gz GWYVKLZXVFPRNK-UHFFFAOYSA-N -1 0 318.289 -0.420 20 0 DBADRM CCn1c(N)c(C(=O)CN2CCC[C@@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC000820506313 604752979 /nfs/dbraw/zinc/75/29/79/604752979.db2.gz CAWBLSBKHSMPBT-SSDOTTSWSA-N -1 0 310.310 -0.717 20 0 DBADRM C[C@H]1CN(C(=O)COC(=O)C2(NC(=O)[O-])CC2)C[C@H](C)O1 ZINC000825989250 604753573 /nfs/dbraw/zinc/75/35/73/604753573.db2.gz UPFHOIHEUXXUBA-IUCAKERBSA-N -1 0 300.311 -0.034 20 0 DBADRM CC(C)CNC(=O)NC(=O)COC(=O)C1(NC(=O)[O-])CC1 ZINC000824262744 604754357 /nfs/dbraw/zinc/75/43/57/604754357.db2.gz HEOZHGJXFFTZIN-UHFFFAOYSA-N -1 0 301.299 -0.188 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000831042189 604761872 /nfs/dbraw/zinc/76/18/72/604761872.db2.gz OECARCZWPFSKCE-UHFFFAOYSA-N -1 0 319.364 -0.252 20 0 DBADRM CN(C)C(=O)CCN1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000827953585 604764202 /nfs/dbraw/zinc/76/42/02/604764202.db2.gz KHEPWLQGPDRWRM-UHFFFAOYSA-N -1 0 314.386 -0.345 20 0 DBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)NC1CN(C(=O)[O-])C1 ZINC000740270498 604764754 /nfs/dbraw/zinc/76/47/54/604764754.db2.gz HKBRJYIQHXDQOR-UHFFFAOYSA-N -1 0 306.278 -0.073 20 0 DBADRM O=C([O-])N1CC(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C1 ZINC000740403100 604765920 /nfs/dbraw/zinc/76/59/20/604765920.db2.gz JBETYILUPPVDEN-SNVBAGLBSA-N -1 0 318.333 -0.092 20 0 DBADRM CCCN(C)S(=O)(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000826892933 604768494 /nfs/dbraw/zinc/76/84/94/604768494.db2.gz MVRDTRPLDUYEJE-JTQLQIEISA-N -1 0 308.404 -0.543 20 0 DBADRM CCOC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827328052 604773318 /nfs/dbraw/zinc/77/33/18/604773318.db2.gz MUAUKKAOZCXGMY-BDAKNGLRSA-N -1 0 303.315 -0.384 20 0 DBADRM CC(C)(C)[C@H](NC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000833423548 604785693 /nfs/dbraw/zinc/78/56/93/604785693.db2.gz NMYZTKFYVFODHU-SECBINFHSA-N -1 0 315.351 -0.042 20 0 DBADRM O=C([O-])Cn1cc(CCn2nnn(-c3ccccc3)c2=O)nn1 ZINC000833273300 604785909 /nfs/dbraw/zinc/78/59/09/604785909.db2.gz HZOBUZNIRFMSOD-UHFFFAOYSA-N -1 0 315.293 -0.652 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)NC2(CO)CCCC2)CC1 ZINC000831689786 604799707 /nfs/dbraw/zinc/79/97/07/604799707.db2.gz XEWVLZMIZMFXID-UHFFFAOYSA-N -1 0 314.386 -0.114 20 0 DBADRM Cc1nnc2n1C[C@@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000830894591 604803004 /nfs/dbraw/zinc/80/30/04/604803004.db2.gz UPHKKLWWWDQPKA-WDEREUQCSA-N -1 0 323.353 -0.214 20 0 DBADRM Cc1nnc2n1C[C@@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000830893083 604803039 /nfs/dbraw/zinc/80/30/39/604803039.db2.gz JPYOELKVPRVZTH-UWVGGRQHSA-N -1 0 309.326 -0.604 20 0 DBADRM C[C@H]1CN(CCNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000826059528 604803510 /nfs/dbraw/zinc/80/35/10/604803510.db2.gz WNYAYIHNXMPYHO-RYUDHWBXSA-N -1 0 315.370 -0.408 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)CCO1 ZINC000821556298 604804652 /nfs/dbraw/zinc/80/46/52/604804652.db2.gz FOJJZTGHAPTDSV-SECBINFHSA-N -1 0 307.262 -0.662 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000827249158 604807100 /nfs/dbraw/zinc/80/71/00/604807100.db2.gz IXTMYHNGKQMVMK-UWVGGRQHSA-N -1 0 313.358 -0.158 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000827249159 604807134 /nfs/dbraw/zinc/80/71/34/604807134.db2.gz IXTMYHNGKQMVMK-VHSXEESVSA-N -1 0 313.358 -0.158 20 0 DBADRM CNC(=O)C(C)(C)CNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830968868 604808731 /nfs/dbraw/zinc/80/87/31/604808731.db2.gz VJAHRYHWIFGGFE-UHFFFAOYSA-N -1 0 306.384 -0.067 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)NCC(=O)Nc2cccnc2)C1 ZINC000831381848 604809548 /nfs/dbraw/zinc/80/95/48/604809548.db2.gz MVRYECQAOIYWGX-NSHDSACASA-N -1 0 322.321 -0.095 20 0 DBADRM NC(=O)CC[C@@H]1CCCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831183957 604816416 /nfs/dbraw/zinc/81/64/16/604816416.db2.gz CQYKTBVNVRPWNT-QWRGUYRKSA-N -1 0 313.354 -0.131 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000830800269 604816512 /nfs/dbraw/zinc/81/65/12/604816512.db2.gz WNFSJQNMPKKGJB-MNOVXSKESA-N -1 0 323.353 -0.214 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000830800220 604816617 /nfs/dbraw/zinc/81/66/17/604816617.db2.gz WCCZFDGAQQGZGG-ZJUUUORDSA-N -1 0 309.326 -0.604 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCCN2CCOC2=O)C1 ZINC000831676678 604827100 /nfs/dbraw/zinc/82/71/00/604827100.db2.gz REFWBAJQRLJGAO-VIFPVBQESA-N -1 0 301.299 -0.676 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000828642693 604830367 /nfs/dbraw/zinc/83/03/67/604830367.db2.gz XDJNRQHFFGEZFJ-UWVGGRQHSA-N -1 0 316.310 -0.844 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000833179049 604830697 /nfs/dbraw/zinc/83/06/97/604830697.db2.gz LHMFHCXVZPQTLY-NXEZZACHSA-N -1 0 313.335 -0.803 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000830978310 604832820 /nfs/dbraw/zinc/83/28/20/604832820.db2.gz DKGDFPXCQZSULX-ZETCQYMHSA-N -1 0 315.355 -0.511 20 0 DBADRM CC(C)C(=O)N1CCN(CCc2cn(CC(=O)[O-])nn2)CC1 ZINC000826651422 604837944 /nfs/dbraw/zinc/83/79/44/604837944.db2.gz BNYIIHCRWMQUBJ-UHFFFAOYSA-N -1 0 309.370 -0.295 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@H](n3cncn3)C2)C1 ZINC000832049102 604838290 /nfs/dbraw/zinc/83/82/90/604838290.db2.gz CDMUHOSBAKZNKZ-WDEREUQCSA-N -1 0 309.326 -0.180 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)[C@@H]2CCSC2)CC1 ZINC000831616507 604840024 /nfs/dbraw/zinc/84/00/24/604840024.db2.gz YKFDRDPTHHYMLR-SECBINFHSA-N -1 0 301.368 -0.322 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)o1 ZINC000833762178 604843430 /nfs/dbraw/zinc/84/34/30/604843430.db2.gz MQCPBVTVVWNQAK-JTQLQIEISA-N -1 0 320.348 -0.383 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N[C@H](CC(=O)OC)C(=O)[O-])C1 ZINC000828558242 604845283 /nfs/dbraw/zinc/84/52/83/604845283.db2.gz RTSTULVQJUNVJG-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N[C@H](CC(=O)OC)C(=O)[O-])C1 ZINC000828558245 604845577 /nfs/dbraw/zinc/84/55/77/604845577.db2.gz RTSTULVQJUNVJG-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC000828558094 604850477 /nfs/dbraw/zinc/85/04/77/604850477.db2.gz QKOZZYWYBYCNJL-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN1CCO[C@H](CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000827226896 604861693 /nfs/dbraw/zinc/86/16/93/604861693.db2.gz AWAYMNVBYBGINI-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000827226898 604861708 /nfs/dbraw/zinc/86/17/08/604861708.db2.gz AWAYMNVBYBGINI-WDEREUQCSA-N -1 0 301.343 -0.798 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCOC[C@H]2CCCO2)C1 ZINC000831692778 604862184 /nfs/dbraw/zinc/86/21/84/604862184.db2.gz BDYAZOGDDPRARU-GHMZBOCLSA-N -1 0 302.327 -0.323 20 0 DBADRM CC(C)(C(=O)N[C@H]1CC[S@](=O)C1)N1CCN(C(=O)[O-])CC1 ZINC000823744227 604864730 /nfs/dbraw/zinc/86/47/30/604864730.db2.gz ZSKMFZWRNLNXSN-CWKPULSASA-N -1 0 317.411 -0.302 20 0 DBADRM COC(=O)c1ccncc1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000831457628 604867459 /nfs/dbraw/zinc/86/74/59/604867459.db2.gz NRRRMOYWUWTLLI-ZETCQYMHSA-N -1 0 310.262 -0.386 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831174145 604868392 /nfs/dbraw/zinc/86/83/92/604868392.db2.gz QXNVNHXYQUVRKW-VWYCJHECSA-N -1 0 313.354 -0.084 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000824809407 604871600 /nfs/dbraw/zinc/87/16/00/604871600.db2.gz GTLIFCAZAUYMFY-SFYZADRCSA-N -1 0 310.397 -0.021 20 0 DBADRM CCNC(=O)CNC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000827242038 604875541 /nfs/dbraw/zinc/87/55/41/604875541.db2.gz HRCSWDHWYLOHGU-IUCAKERBSA-N -1 0 316.358 -0.075 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000832051795 604876270 /nfs/dbraw/zinc/87/62/70/604876270.db2.gz ZBFKKGSXUWTFNJ-NEPJUHHUSA-N -1 0 313.354 -0.702 20 0 DBADRM CNC(=O)CC1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828532347 604882477 /nfs/dbraw/zinc/88/24/77/604882477.db2.gz QVQOVAYYOOEXST-NSHDSACASA-N -1 0 313.354 -0.260 20 0 DBADRM NC(=O)c1ccc(CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)o1 ZINC000831222475 604886620 /nfs/dbraw/zinc/88/66/20/604886620.db2.gz IQBDTIZOMMUMPL-VIFPVBQESA-N -1 0 311.294 -0.236 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCCNC(=O)C2CCC2)C1 ZINC000831676790 604888454 /nfs/dbraw/zinc/88/84/54/604888454.db2.gz SUGZQEYAXZMMFN-LLVKDONJSA-N -1 0 313.354 -0.212 20 0 DBADRM CN(C)C(=O)CCCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833687284 604891219 /nfs/dbraw/zinc/89/12/19/604891219.db2.gz CMNXNYXFJYJVID-LBPRGKRZSA-N -1 0 315.370 -0.278 20 0 DBADRM CN(C)C(=O)CCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833687745 604891338 /nfs/dbraw/zinc/89/13/38/604891338.db2.gz SULGUIRRQUADPC-LLVKDONJSA-N -1 0 301.343 -0.668 20 0 DBADRM NC(=O)c1ccc(CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000831223282 604893669 /nfs/dbraw/zinc/89/36/69/604893669.db2.gz YWQXXKWJXYWHLJ-SNVBAGLBSA-N -1 0 322.321 -0.434 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824809886 604902692 /nfs/dbraw/zinc/90/26/92/604902692.db2.gz LOJLYIBYSPNPQJ-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824809926 604903081 /nfs/dbraw/zinc/90/30/81/604903081.db2.gz MKNQVZFMXUTGKU-VHSXEESVSA-N -1 0 322.383 -0.305 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)N[C@H]1CCc2ncnn2C1 ZINC000831383751 604904915 /nfs/dbraw/zinc/90/49/15/604904915.db2.gz WYDWQYLLHWRHDD-UWVGGRQHSA-N -1 0 309.326 -0.522 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)C[C@H](C)N1C(=O)[O-] ZINC000825969114 604909426 /nfs/dbraw/zinc/90/94/26/604909426.db2.gz MHTHLKAZAMCMLF-DTORHVGOSA-N -1 0 309.326 -0.042 20 0 DBADRM C[C@@H](C(N)=O)N(C)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000833406544 604910575 /nfs/dbraw/zinc/91/05/75/604910575.db2.gz AAZXWULJXXGUPW-QMMMGPOBSA-N -1 0 322.321 -0.162 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000823736812 604910844 /nfs/dbraw/zinc/91/08/44/604910844.db2.gz APEDCPGBFOIDFF-UTLUCORTSA-N -1 0 322.383 -0.355 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000824809055 604927158 /nfs/dbraw/zinc/92/71/58/604927158.db2.gz DDSNWLJGHDPCCX-HRDYMLBCSA-N -1 0 308.356 -0.961 20 0 DBADRM NC(=O)c1csc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)n1 ZINC000831241862 604930164 /nfs/dbraw/zinc/93/01/64/604930164.db2.gz ZOBHSYAXKPMJBR-ZCFIWIBFSA-N -1 0 300.296 -0.441 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)[C@H]3CCN(C(=O)[O-])C3)CC2)C1=O ZINC000828445164 604935540 /nfs/dbraw/zinc/93/55/40/604935540.db2.gz KQYRTDICHGBXJD-VIFPVBQESA-N -1 0 324.337 -0.471 20 0 DBADRM O=C([O-])N1CC[C@H](C(=O)Nc2n[nH]c(SCCO)n2)C1 ZINC000831810104 604935837 /nfs/dbraw/zinc/93/58/37/604935837.db2.gz JJMGKEWVIWVDBZ-LURJTMIESA-N -1 0 301.328 -0.173 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000825778094 604940369 /nfs/dbraw/zinc/94/03/69/604940369.db2.gz HZRHPJDBVPEPAJ-KXUCPTDWSA-N -1 0 320.367 -0.601 20 0 DBADRM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)CCNC(=O)[O-])C2)C1=O ZINC000833501330 604941012 /nfs/dbraw/zinc/94/10/12/604941012.db2.gz VHSWJFLNIDFELB-CYBMUJFWSA-N -1 0 312.326 -0.425 20 0 DBADRM Cc1cc(S(N)(=O)=O)sc1C(=O)NC1CN(C(=O)[O-])C1 ZINC000740092766 604947761 /nfs/dbraw/zinc/94/77/61/604947761.db2.gz DVGJNJVGKLMLMN-UHFFFAOYSA-N -1 0 319.364 -0.204 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)NC1CN(C(=O)[O-])C1)n1cccn1 ZINC000738604370 604948487 /nfs/dbraw/zinc/94/84/87/604948487.db2.gz RDILFBPGEMAYJA-SECBINFHSA-N -1 0 309.326 -0.619 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NC2CN(C(=O)[O-])C2)ccc1F ZINC000740337808 604949187 /nfs/dbraw/zinc/94/91/87/604949187.db2.gz KXSURPUSCFCZDI-UHFFFAOYSA-N -1 0 317.298 -0.435 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000832050104 604950244 /nfs/dbraw/zinc/95/02/44/604950244.db2.gz NDPJAANKCZQYNZ-XCBNKYQSSA-N -1 0 312.244 -0.109 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000825177358 604953085 /nfs/dbraw/zinc/95/30/85/604953085.db2.gz JNGOPOTXBWAQKQ-KHQFGBGNSA-N -1 0 309.326 -0.314 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NC2CN(C(=O)[O-])C2)cs1 ZINC000740337172 604953165 /nfs/dbraw/zinc/95/31/65/604953165.db2.gz GJSRWDCHWRJRQG-UHFFFAOYSA-N -1 0 305.337 -0.513 20 0 DBADRM COC(=O)[C@@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1ccccn1 ZINC000828606487 604966813 /nfs/dbraw/zinc/96/68/13/604966813.db2.gz BGLHSVDQFIYHIY-QWRGUYRKSA-N -1 0 323.305 -0.209 20 0 DBADRM O=C([O-])N1CC[C@H](C(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000831698961 604973273 /nfs/dbraw/zinc/97/32/73/604973273.db2.gz ALDJAXQFQVRYMR-JTQLQIEISA-N -1 0 304.368 -0.073 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(c2ncccc2F)CC1 ZINC000833405881 604973337 /nfs/dbraw/zinc/97/33/37/604973337.db2.gz YQTFEQJECSGOKM-JTQLQIEISA-N -1 0 310.329 -0.068 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N1CCC[C@@H]1CC(=O)[O-] ZINC000832694517 604973787 /nfs/dbraw/zinc/97/37/87/604973787.db2.gz FSGQKOXOOKHXBW-MRVPVSSYSA-N -1 0 309.413 -0.651 20 0 DBADRM COC(=O)[C@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000828607224 604976126 /nfs/dbraw/zinc/97/61/26/604976126.db2.gz IMQSELGMZSRMMM-MWLCHTKSSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)[C@@H](NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000828607225 604976268 /nfs/dbraw/zinc/97/62/68/604976268.db2.gz IMQSELGMZSRMMM-ONGXEEELSA-N -1 0 300.311 -0.177 20 0 DBADRM CN(C)C(=O)CNS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833687992 605014748 /nfs/dbraw/zinc/01/47/48/605014748.db2.gz GGFIFVNQIZOULK-UHFFFAOYSA-N -1 0 304.299 -0.110 20 0 DBADRM CCOC(=O)[C@@H](C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000833656376 605020690 /nfs/dbraw/zinc/02/06/90/605020690.db2.gz KACQMZVDRLBIQS-ZCFIWIBFSA-N -1 0 305.312 -0.354 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN2C(=O)OCC[C@@H]2C1)C(=O)[O-] ZINC000833519931 605028148 /nfs/dbraw/zinc/02/81/48/605028148.db2.gz QSOFDMKEYNNAQN-RKDXNWHRSA-N -1 0 306.340 -0.437 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)c2ccsc2C(=O)[O-])C1=O ZINC000230226002 605030156 /nfs/dbraw/zinc/03/01/56/605030156.db2.gz VKUYYCPXQUADMC-LURJTMIESA-N -1 0 304.349 -0.045 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)CCO)c(C(=O)[O-])s1 ZINC000833714861 605030557 /nfs/dbraw/zinc/03/05/57/605030557.db2.gz ZIANSYBBYMCVNP-UHFFFAOYSA-N -1 0 323.348 -0.154 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000833700641 605035498 /nfs/dbraw/zinc/03/54/98/605035498.db2.gz PISPQIMZLDJNJU-UHFFFAOYSA-N -1 0 320.305 -0.537 20 0 DBADRM CC(=O)N1CCOC[C@H]1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000833391414 605045098 /nfs/dbraw/zinc/04/50/98/605045098.db2.gz KFVNMFWZWZVYEX-RYUDHWBXSA-N -1 0 310.350 -0.053 20 0 DBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@@H](C)CO)c1 ZINC000833714920 605048837 /nfs/dbraw/zinc/04/88/37/605048837.db2.gz KYBCMMJEIHAYSV-ZETCQYMHSA-N -1 0 317.319 -0.170 20 0 DBADRM CNC(=O)[C@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(C)C ZINC000833699670 605050672 /nfs/dbraw/zinc/05/06/72/605050672.db2.gz VJPNTYPLOCFSAE-SSDOTTSWSA-N -1 0 321.380 -0.110 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cn1 ZINC000833761845 605051595 /nfs/dbraw/zinc/05/15/95/605051595.db2.gz BEYPBVRZXRYOHW-NSHDSACASA-N -1 0 317.298 -0.632 20 0 DBADRM CC[S@](=O)CCNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833668470 605053613 /nfs/dbraw/zinc/05/36/13/605053613.db2.gz QHEZLCUYTJQQKN-FIKIJFGZSA-N -1 0 319.427 -0.055 20 0 DBADRM CC(C)(CNC(=O)c1ccnc2c(C(N)=O)cnn21)C(=O)[O-] ZINC000833459213 605054228 /nfs/dbraw/zinc/05/42/28/605054228.db2.gz LDDGGYSJOORCIE-UHFFFAOYSA-N -1 0 305.294 -0.331 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccnc3c(C(N)=O)cnn32)C1 ZINC000833553698 605055169 /nfs/dbraw/zinc/05/51/69/605055169.db2.gz HRNNQVQYMDHOPD-AWEZNQCLSA-N -1 0 317.305 -0.235 20 0 DBADRM O=C([O-])c1cccc(CS(=O)(=O)N(CCO)CCO)c1 ZINC000037838763 605058781 /nfs/dbraw/zinc/05/87/81/605058781.db2.gz MOAZNMRWUAQAEQ-UHFFFAOYSA-N -1 0 303.336 -0.499 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@H](NC(=O)[O-])C2)C1=O ZINC000739074107 605071701 /nfs/dbraw/zinc/07/17/01/605071701.db2.gz IYPAIKSFHSEQEJ-LKFCYVNXSA-N -1 0 324.337 -0.425 20 0 DBADRM CCNC(=O)NCCCOC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827254379 605073346 /nfs/dbraw/zinc/07/33/46/605073346.db2.gz BRWZWJPBPYTJNK-SECBINFHSA-N -1 0 303.315 -0.382 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000831647759 605073961 /nfs/dbraw/zinc/07/39/61/605073961.db2.gz QABIPFPBBXIDHE-YUMQZZPRSA-N -1 0 308.381 -0.267 20 0 DBADRM COCCN(CC(=O)NC[C@H]1CCCS1(=O)=O)C(=O)[O-] ZINC000828976570 605075663 /nfs/dbraw/zinc/07/56/63/605075663.db2.gz OMMOWHILWYHHIN-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM CC(=O)N1CC[C@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])[C@H](C)C1 ZINC000833393778 605080256 /nfs/dbraw/zinc/08/02/56/605080256.db2.gz MCFOPSAESUVVQJ-YWVKMMECSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000833404703 605088300 /nfs/dbraw/zinc/08/83/00/605088300.db2.gz NWNBTKPXHVDFOG-XVKPBYJWSA-N -1 0 319.310 -0.450 20 0 DBADRM C[C@H](C(=O)NC[C@H](O)C(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000833404700 605088630 /nfs/dbraw/zinc/08/86/30/605088630.db2.gz NWNBTKPXHVDFOG-XCBNKYQSSA-N -1 0 319.310 -0.450 20 0 DBADRM CC(C)CN(CCC(=O)[O-])C(=O)C1=NN(CCO)C(=O)CC1 ZINC000833487496 605102133 /nfs/dbraw/zinc/10/21/33/605102133.db2.gz FIOZAMAUTUHXDF-UHFFFAOYSA-N -1 0 313.354 -0.084 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC000833689796 605104351 /nfs/dbraw/zinc/10/43/51/605104351.db2.gz XECIVRDXTXEGMN-UHFFFAOYSA-N -1 0 316.383 -0.363 20 0 DBADRM CC(C)(CC(=O)[O-])CC(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000061827166 605107136 /nfs/dbraw/zinc/10/71/36/605107136.db2.gz RWGCHQMRRUCWJM-UHFFFAOYSA-N -1 0 307.372 -0.775 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)N2CC[C@H](NC(=O)[O-])C2)C1 ZINC000827248445 605110155 /nfs/dbraw/zinc/11/01/55/605110155.db2.gz AWWSNWUJKGEAAC-ZJUUUORDSA-N -1 0 313.358 -0.158 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)c1=O ZINC000831022664 605113197 /nfs/dbraw/zinc/11/31/97/605113197.db2.gz MPQYQNJNBBJAOL-QMMMGPOBSA-N -1 0 308.294 -0.808 20 0 DBADRM Cc1sc2ncc(C(=O)NC[C@H](O)C(=O)[O-])c(=O)n2c1C ZINC000833758713 605118126 /nfs/dbraw/zinc/11/81/26/605118126.db2.gz NLSSSARIJJKIMA-QMMMGPOBSA-N -1 0 311.319 -0.452 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)c(=O)n(C)c1 ZINC000830089120 605118193 /nfs/dbraw/zinc/11/81/93/605118193.db2.gz AXIAOXLITDLUEJ-VIFPVBQESA-N -1 0 322.321 -0.499 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCS(=O)(=O)CC1CC1 ZINC000831699441 605121775 /nfs/dbraw/zinc/12/17/75/605121775.db2.gz JBQYLEFVIIGMKT-VHSXEESVSA-N -1 0 320.367 -0.959 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000740583258 605127801 /nfs/dbraw/zinc/12/78/01/605127801.db2.gz USCADDRGXKXLRR-PUUHTONNSA-N -1 0 324.337 -0.377 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000831486088 605128477 /nfs/dbraw/zinc/12/84/77/605128477.db2.gz ZBGBCZCHXRCKRR-SNVBAGLBSA-N -1 0 321.337 -0.275 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739993242 605134545 /nfs/dbraw/zinc/13/45/45/605134545.db2.gz XQMYJJSJYOPKHH-UWVGGRQHSA-N -1 0 319.383 -0.331 20 0 DBADRM C[C@@H](CCNC(=O)CN1CCN(C(=O)[O-])CC1=O)[S@@](C)=O ZINC000824785024 605135583 /nfs/dbraw/zinc/13/55/83/605135583.db2.gz BQYYDAUPFYIFKJ-JLTPVHFHSA-N -1 0 319.383 -0.918 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCO[C@@H](C(=O)NC)C1)C(=O)[O-] ZINC000833636826 605138966 /nfs/dbraw/zinc/13/89/66/605138966.db2.gz ARHZMPFPUONBNL-UMNHJUIQSA-N -1 0 315.370 -0.951 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCN2C(=O)CC[C@@H]2C1)C(=O)[O-] ZINC000833478879 605147097 /nfs/dbraw/zinc/14/70/97/605147097.db2.gz VXVRUDYOLAYAKD-NEPJUHHUSA-N -1 0 311.382 -0.092 20 0 DBADRM C[C@H]1CN(C(=O)NCC(C)(C)C(=O)[O-])CCN1S(C)(=O)=O ZINC000833740933 605149305 /nfs/dbraw/zinc/14/93/05/605149305.db2.gz UGTSGTALICAVTD-VIFPVBQESA-N -1 0 321.399 -0.228 20 0 DBADRM COCC1(NC(=O)NCCN2CCN(C(=O)[O-])CC2)CC1 ZINC000828920045 605158797 /nfs/dbraw/zinc/15/87/97/605158797.db2.gz CINPFCCKRDZOOP-UHFFFAOYSA-N -1 0 300.359 -0.240 20 0 DBADRM C[C@@H](CC[S@](C)=O)NC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000824810290 605159260 /nfs/dbraw/zinc/15/92/60/605159260.db2.gz PAXKZYAYMHPHLJ-CWKPULSASA-N -1 0 319.427 -0.008 20 0 DBADRM C[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)S(C)(=O)=O ZINC000833625739 605160199 /nfs/dbraw/zinc/16/01/99/605160199.db2.gz XQWMBDTXBIWHFL-ZJUUUORDSA-N -1 0 306.384 -0.573 20 0 DBADRM NC(=O)CONC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000833761547 605169502 /nfs/dbraw/zinc/16/95/02/605169502.db2.gz IYAVUKCCFIYFEC-UHFFFAOYSA-N -1 0 324.293 -0.571 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820530572 605170639 /nfs/dbraw/zinc/17/06/39/605170639.db2.gz VGIGABDMJRJRIL-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM NC(=O)Nc1ccc(C(=O)Cn2nnnc2CNC(=O)[O-])cc1 ZINC000831208901 605178336 /nfs/dbraw/zinc/17/83/36/605178336.db2.gz WVMXSBFYKUAJQP-UHFFFAOYSA-N -1 0 319.281 -0.186 20 0 DBADRM O=C([O-])NCc1nnnn1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000832738619 605178436 /nfs/dbraw/zinc/17/84/36/605178436.db2.gz MSJDAFUEWBPDRA-ZJUUUORDSA-N -1 0 324.341 -0.389 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000833520690 605178921 /nfs/dbraw/zinc/17/89/21/605178921.db2.gz VYVLBXBJEHCETI-SECBINFHSA-N -1 0 315.413 -0.208 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000832584155 605187274 /nfs/dbraw/zinc/18/72/74/605187274.db2.gz UCUNOUDLMOMGJI-UWVGGRQHSA-N -1 0 319.383 -0.137 20 0 DBADRM COC(=O)[C@@H]1CCCN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828632260 605188365 /nfs/dbraw/zinc/18/83/65/605188365.db2.gz QERLUFNLJDLGAT-ZJUUUORDSA-N -1 0 300.311 -0.081 20 0 DBADRM C[C@H](NC(=O)N[C@H]1CCN(C(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC000825162005 605188450 /nfs/dbraw/zinc/18/84/50/605188450.db2.gz PIGVDAZWMJLFKW-DCAQKATOSA-N -1 0 300.359 -0.243 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])O[C@@H]1CCCNC1=O ZINC000831475001 605197681 /nfs/dbraw/zinc/19/76/81/605197681.db2.gz VJWALHXCTMVQIV-NXEZZACHSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])O[C@H]1CCCNC1=O ZINC000831475007 605197718 /nfs/dbraw/zinc/19/77/18/605197718.db2.gz VJWALHXCTMVQIV-ZJUUUORDSA-N -1 0 300.311 -0.033 20 0 DBADRM CC1(C)C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694170482 605200875 /nfs/dbraw/zinc/20/08/75/605200875.db2.gz CMUYCZGSKLXEHB-UHFFFAOYSA-N -1 0 302.308 -0.123 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCOCC1 ZINC000825560235 605207790 /nfs/dbraw/zinc/20/77/90/605207790.db2.gz HYABDYGMWUVPIM-ZJUUUORDSA-N -1 0 316.310 -0.844 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CSCN1C(=O)[O-])[C@H]1CN(C)CCO1 ZINC000825459100 605221491 /nfs/dbraw/zinc/22/14/91/605221491.db2.gz MHJPKLIZNKKIEO-OPRDCNLKSA-N -1 0 303.384 -0.125 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1cccc[n+]1[O-])C(=O)[O-] ZINC000833492046 605248218 /nfs/dbraw/zinc/24/82/18/605248218.db2.gz DEQBCWSQEVQLAL-JTQLQIEISA-N -1 0 309.322 -0.335 20 0 DBADRM COc1c(NC(=O)C(=O)NCCCC(=O)[O-])cccc1C(N)=O ZINC000820754468 605248547 /nfs/dbraw/zinc/24/85/47/605248547.db2.gz DYRAOMCAADFILB-UHFFFAOYSA-N -1 0 323.305 -0.286 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1cc[n+]([O-])cc1)C(=O)[O-] ZINC000833493226 605249763 /nfs/dbraw/zinc/24/97/63/605249763.db2.gz UMACZMFZCSUADG-NSHDSACASA-N -1 0 309.322 -0.335 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)CCN1CCC(=O)[O-] ZINC000833618130 605254487 /nfs/dbraw/zinc/25/44/87/605254487.db2.gz KVJVKMBMSXNMQR-WDEREUQCSA-N -1 0 318.395 -0.572 20 0 DBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)N[C@@H]1CCCCNC1=O ZINC000831513308 605262411 /nfs/dbraw/zinc/26/24/11/605262411.db2.gz OZNDWDKEQZTZCZ-WDEREUQCSA-N -1 0 313.354 -0.070 20 0 DBADRM COC(=O)Cn1cc([C@H](C)OC(=O)[C@H](C)NC(=O)[O-])nn1 ZINC000828699676 605265742 /nfs/dbraw/zinc/26/57/42/605265742.db2.gz JLVLAMFPAUEKMO-BQBZGAKWSA-N -1 0 300.271 -0.289 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825055191 605267215 /nfs/dbraw/zinc/26/72/15/605267215.db2.gz JJKWWWLNTPBYAB-GHMZBOCLSA-N -1 0 311.342 -0.058 20 0 DBADRM CN(C)C(=O)CCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000827961214 605267937 /nfs/dbraw/zinc/26/79/37/605267937.db2.gz RGZVZHHQMGTIBJ-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CC(=O)[C@H]1CC(C(=O)N[C@H](CO)C(=O)[O-])=NN1c1ccccc1 ZINC000833388606 605267958 /nfs/dbraw/zinc/26/79/58/605267958.db2.gz YMFKROOWWIYHEW-CHWSQXEVSA-N -1 0 319.317 -0.228 20 0 DBADRM CC(C)C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])N1CCCCC1=O ZINC000833474135 605268362 /nfs/dbraw/zinc/26/83/62/605268362.db2.gz LWNXCZMKIQHNKT-WDEREUQCSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])N1CCCCC1=O ZINC000833474133 605268467 /nfs/dbraw/zinc/26/84/67/605268467.db2.gz LWNXCZMKIQHNKT-QWRGUYRKSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)[C@@H](C(=O)N[C@H](CO)C(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000833621247 605268481 /nfs/dbraw/zinc/26/84/81/605268481.db2.gz JDZZDKMOQOFJFE-KXNHARMFSA-N -1 0 302.371 -0.318 20 0 DBADRM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC000833422604 605268992 /nfs/dbraw/zinc/26/89/92/605268992.db2.gz JXFCGFGESNMRTI-BDAKNGLRSA-N -1 0 318.395 -0.114 20 0 DBADRM CCC[C@](C)(O)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000826727435 605271390 /nfs/dbraw/zinc/27/13/90/605271390.db2.gz FBHQTVKAALUWEM-ZDUSSCGKSA-N -1 0 301.343 -0.524 20 0 DBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NC[C@@H]1COCCO1 ZINC000831512777 605271436 /nfs/dbraw/zinc/27/14/36/605271436.db2.gz IEMKXALFLWTAHR-GHMZBOCLSA-N -1 0 302.327 -0.323 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC000833421145 605281345 /nfs/dbraw/zinc/28/13/45/605281345.db2.gz WIHZDOTWEURCCL-UWVGGRQHSA-N -1 0 300.355 -0.167 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000832662880 605291688 /nfs/dbraw/zinc/29/16/88/605291688.db2.gz OAGKSGBVQXWUTO-NSHDSACASA-N -1 0 301.343 -0.796 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC000831858843 605291829 /nfs/dbraw/zinc/29/18/29/605291829.db2.gz PNBJPPPLUSRYNC-LLVKDONJSA-N -1 0 313.354 -0.702 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC000833615278 605295510 /nfs/dbraw/zinc/29/55/10/605295510.db2.gz AEFYRYIMCIVYLG-GXSJLCMTSA-N -1 0 306.384 -0.270 20 0 DBADRM COC(=O)N1CC(NC(=O)[C@@H](CCSC)NC(=O)[O-])C1 ZINC000828705687 605295711 /nfs/dbraw/zinc/29/57/11/605295711.db2.gz YJEGIMXYCHGGJI-MRVPVSSYSA-N -1 0 305.356 -0.058 20 0 DBADRM C[C@H](NC(=O)COC1CN(C(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC000825128916 605296260 /nfs/dbraw/zinc/29/62/60/605296260.db2.gz YFFXLUXBEBQESJ-GXSJLCMTSA-N -1 0 301.343 -0.800 20 0 DBADRM Cn1cnnc1CCNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000831047006 605306529 /nfs/dbraw/zinc/30/65/29/605306529.db2.gz XTBCFNFXRWPWDZ-VIFPVBQESA-N -1 0 313.383 -0.041 20 0 DBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)N[C@@H]1CCc2ncnn2C1 ZINC000831514126 605308053 /nfs/dbraw/zinc/30/80/53/605308053.db2.gz VPCDBOKXJZJPTO-MNOVXSKESA-N -1 0 323.353 -0.132 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@@H]2CCCO)C(=O)C1 ZINC000834112836 605312648 /nfs/dbraw/zinc/31/26/48/605312648.db2.gz GSBDTKKMDYKQGV-LLVKDONJSA-N -1 0 313.354 -0.428 20 0 DBADRM O=C([O-])NCCOCC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000834243560 605315335 /nfs/dbraw/zinc/31/53/35/605315335.db2.gz YOEDKOGAEDTDPN-SNVBAGLBSA-N -1 0 318.326 -0.691 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)OCCN1C(=O)CNC1=O ZINC000834137284 605319400 /nfs/dbraw/zinc/31/94/00/605319400.db2.gz JMAQJSJVZNMHBL-YFKPBYRVSA-N -1 0 309.225 -0.627 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)OCC(=O)N1CCCC1=O ZINC000834137489 605319444 /nfs/dbraw/zinc/31/94/44/605319444.db2.gz LEZLNRXQXRJVBL-ZCFIWIBFSA-N -1 0 308.237 -0.030 20 0 DBADRM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(CC(=O)N(C)C)CC2)O1 ZINC000833581252 605320590 /nfs/dbraw/zinc/32/05/90/605320590.db2.gz VRIAXWQRHUFHGO-LBPRGKRZSA-N -1 0 311.382 -0.160 20 0 DBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)O[C@@H]1CCCNC1=O ZINC000831525371 605328567 /nfs/dbraw/zinc/32/85/67/605328567.db2.gz YUTMTYROBGZKGF-VHSXEESVSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cnc2c(c1)COCC2 ZINC000834197944 605335233 /nfs/dbraw/zinc/33/52/33/605335233.db2.gz CHZYJGLFHSTVGZ-UHFFFAOYSA-N -1 0 308.294 -0.523 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N(Cc1ccccn1)C1CC1 ZINC000834192443 605335883 /nfs/dbraw/zinc/33/58/83/605335883.db2.gz HACAXAUAWBHSMW-UHFFFAOYSA-N -1 0 306.322 -0.044 20 0 DBADRM Cn1c(N2CCC[C@H]2CNC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000830978513 605340721 /nfs/dbraw/zinc/34/07/21/605340721.db2.gz HHCIAEINJATPTI-ZETCQYMHSA-N -1 0 322.325 -0.391 20 0 DBADRM CN1CC[C@H](OC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C1=O ZINC000828470785 605342050 /nfs/dbraw/zinc/34/20/50/605342050.db2.gz FYLMGKBWOSYRRM-UWVGGRQHSA-N -1 0 300.311 -0.081 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCCC[C@H]1C1OCCO1 ZINC000834195856 605342742 /nfs/dbraw/zinc/34/27/42/605342742.db2.gz WPEVVPDVGNQOOH-VIFPVBQESA-N -1 0 315.326 -0.876 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@H]1COc2ccccc2C1 ZINC000834196660 605344736 /nfs/dbraw/zinc/34/47/36/605344736.db2.gz PMSCUWIDZMXEDU-SNVBAGLBSA-N -1 0 321.333 -0.262 20 0 DBADRM O=C([O-])N1CC[C@]2(C1)NC(=O)N(CC(=O)N1CCCC1)C2=O ZINC000831969836 605345926 /nfs/dbraw/zinc/34/59/26/605345926.db2.gz UHYHZQLKKZPOCF-CYBMUJFWSA-N -1 0 310.310 -0.717 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCN(c2ccccc2)C1 ZINC000834196798 605346541 /nfs/dbraw/zinc/34/65/41/605346541.db2.gz NRWOBRGKBGXCLS-LLVKDONJSA-N -1 0 320.349 -0.235 20 0 DBADRM CCc1nc(CN2C(=O)N[C@]3(CCN(C(=O)[O-])C3)C2=O)no1 ZINC000827631285 605346843 /nfs/dbraw/zinc/34/68/43/605346843.db2.gz FAIVUYQIXYCQBS-LBPRGKRZSA-N -1 0 309.282 -0.194 20 0 DBADRM Cn1cc([C@@H]2CCN(C(=O)CNC(=O)CNC(=O)[O-])C2)cn1 ZINC000833945819 605347970 /nfs/dbraw/zinc/34/79/70/605347970.db2.gz BLXRZIDGZKJASM-SECBINFHSA-N -1 0 309.326 -0.880 20 0 DBADRM Cc1noc(C)c1C[C@@H](C)NC(=O)CNC(=O)CNC(=O)[O-] ZINC000833930334 605348099 /nfs/dbraw/zinc/34/80/99/605348099.db2.gz DBSYBUAGKAYGOR-SSDOTTSWSA-N -1 0 312.326 -0.278 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCO[C@H](c2ccco2)C1 ZINC000834194089 605350835 /nfs/dbraw/zinc/35/08/35/605350835.db2.gz KFWBHNALQYTFOZ-JTQLQIEISA-N -1 0 311.294 -0.437 20 0 DBADRM CN(C(=O)CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O)C1CC1 ZINC000827765435 605351279 /nfs/dbraw/zinc/35/12/79/605351279.db2.gz QNHAJNVESFKGON-CYBMUJFWSA-N -1 0 310.310 -0.719 20 0 DBADRM CN1C[C@H](NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CCC1=O ZINC000828452797 605352938 /nfs/dbraw/zinc/35/29/38/605352938.db2.gz VTWMAKZBXFSOCN-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccn2ccnc2c1 ZINC000834199344 605353496 /nfs/dbraw/zinc/35/34/96/605353496.db2.gz ZDHOVIWDIOCOQG-UHFFFAOYSA-N -1 0 305.294 -0.666 20 0 DBADRM CCN(C1CN(C(=O)[O-])C1)S(=O)(=O)CCCC(=O)OC ZINC000826992347 605356053 /nfs/dbraw/zinc/35/60/53/605356053.db2.gz IRQUAUMGKNTYLZ-UHFFFAOYSA-N -1 0 308.356 -0.047 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCc1nc2ccccc2[nH]1 ZINC000834196988 605362611 /nfs/dbraw/zinc/36/26/11/605362611.db2.gz VMAHBVCRYPDBBD-UHFFFAOYSA-N -1 0 319.321 -0.395 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccccc1-n1cncn1 ZINC000834198029 605364166 /nfs/dbraw/zinc/36/41/66/605364166.db2.gz AHLFCEBJEPISDS-UHFFFAOYSA-N -1 0 318.293 -0.410 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(-n2cccn2)nc1 ZINC000834198849 605365340 /nfs/dbraw/zinc/36/53/40/605365340.db2.gz PZVWUABPXYBPBG-UHFFFAOYSA-N -1 0 318.293 -0.410 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000834199022 605367281 /nfs/dbraw/zinc/36/72/81/605367281.db2.gz TVHLRCTXHILHSG-UHFFFAOYSA-N -1 0 320.305 -0.106 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)NC[C@H]2CCCN2C(=O)[O-])cn1 ZINC000833946262 605372623 /nfs/dbraw/zinc/37/26/23/605372623.db2.gz LDQYNRZJJIQMQF-MNOVXSKESA-N -1 0 311.342 -0.105 20 0 DBADRM Cn1c(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[O-])ccc21 ZINC000833940489 605377419 /nfs/dbraw/zinc/37/74/19/605377419.db2.gz NZMNJYVEZAEZCP-UHFFFAOYSA-N -1 0 322.277 -0.546 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000834197709 605378297 /nfs/dbraw/zinc/37/82/97/605378297.db2.gz ACDBZMYQPVROKL-UHFFFAOYSA-N -1 0 308.254 -0.613 20 0 DBADRM CC(C)COC[C@@H](O)CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000824275681 605378453 /nfs/dbraw/zinc/37/84/53/605378453.db2.gz IXZKWMOKMIPKMN-RYUDHWBXSA-N -1 0 318.370 -0.095 20 0 DBADRM CC(C)c1noc(COC(=O)CNC(=O)CNC(=O)[O-])n1 ZINC000833798324 605381414 /nfs/dbraw/zinc/38/14/14/605381414.db2.gz FBNSFSRBQSEABW-UHFFFAOYSA-N -1 0 300.271 -0.380 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)c1ccc(F)cc1 ZINC000834198340 605382345 /nfs/dbraw/zinc/38/23/45/605382345.db2.gz FOVDKCJRSCANJW-UHFFFAOYSA-N -1 0 312.253 -0.065 20 0 DBADRM CNC(=O)[C@H](C)CN(C)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000828525973 605382674 /nfs/dbraw/zinc/38/26/74/605382674.db2.gz DMWCNTNHIXOCGZ-MNOVXSKESA-N -1 0 315.370 -0.014 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCc2c1cccc2O ZINC000834197953 605382649 /nfs/dbraw/zinc/38/26/49/605382649.db2.gz ZKSVLJYQLHBERT-SNVBAGLBSA-N -1 0 307.306 -0.121 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000834198124 605382673 /nfs/dbraw/zinc/38/26/73/605382673.db2.gz CNDMRUYDFPUWHQ-UHFFFAOYSA-N -1 0 318.293 -0.206 20 0 DBADRM O=C([O-])NC1(CNC(=O)C[C@@H]2NC(=O)NC2=O)CCCCC1 ZINC000834155697 605384742 /nfs/dbraw/zinc/38/47/42/605384742.db2.gz WIVJBRYHVLJOSO-QMMMGPOBSA-N -1 0 312.326 -0.329 20 0 DBADRM O=C([O-])N1CC[C@H](CNC(=O)NCCN2C(=O)CCC2=O)C1 ZINC000834041606 605388843 /nfs/dbraw/zinc/38/88/43/605388843.db2.gz LKOQWLOOHSPMOR-SECBINFHSA-N -1 0 312.326 -0.566 20 0 DBADRM CC(C)(CO)CNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000824016156 605389622 /nfs/dbraw/zinc/38/96/22/605389622.db2.gz RZMJPZURNTZVSA-UHFFFAOYSA-N -1 0 316.402 -0.010 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC000833879503 605391235 /nfs/dbraw/zinc/39/12/35/605391235.db2.gz OPPFCAVMHFYCSG-UHFFFAOYSA-N -1 0 308.356 -0.047 20 0 DBADRM CNC(=O)CCN(C)S(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC000833875187 605391552 /nfs/dbraw/zinc/39/15/52/605391552.db2.gz LHWVBCMOFNLOPB-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000831200303 605392848 /nfs/dbraw/zinc/39/28/48/605392848.db2.gz ZEDKQIZFBKJHCH-UHFFFAOYSA-N -1 0 308.294 -0.128 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000834197975 605393245 /nfs/dbraw/zinc/39/32/45/605393245.db2.gz ZWSWHGNPBPHPMR-ZWNOBZJWSA-N -1 0 307.306 -0.855 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCC(OCCCO)CC1 ZINC000831271427 605394008 /nfs/dbraw/zinc/39/40/08/605394008.db2.gz BZBYVBNLBQAVOT-ZYHUDNBSSA-N -1 0 316.354 -0.510 20 0 DBADRM COCCN(CC(=O)N1CCOC[C@H]1c1ncon1)C(=O)[O-] ZINC000833884650 605398178 /nfs/dbraw/zinc/39/81/78/605398178.db2.gz QWLYGJKMKHXRTG-VIFPVBQESA-N -1 0 314.298 -0.404 20 0 DBADRM Cn1ccnc1-c1cc(NC(=O)CNC(=O)CNC(=O)[O-])n[nH]1 ZINC000833955899 605399182 /nfs/dbraw/zinc/39/91/82/605399182.db2.gz VXZDJNOCCZIDLK-UHFFFAOYSA-N -1 0 321.297 -0.868 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@H]2CCN(C(=O)[O-])C2)O1 ZINC000833979352 605400414 /nfs/dbraw/zinc/40/04/14/605400414.db2.gz BJPOPJLIRYIBNY-UTLUCORTSA-N -1 0 314.342 -0.682 20 0 DBADRM O=C([O-])NC[C@H]1CCCN(Cn2nc3cnccn3c2=O)C1 ZINC000834217170 605406480 /nfs/dbraw/zinc/40/64/80/605406480.db2.gz WYXJWJDLZUXCED-SNVBAGLBSA-N -1 0 306.326 -0.172 20 0 DBADRM O=C([O-])NC1(CC(=O)NC[C@@H](O)CN2CCOCC2)CCC1 ZINC000834156021 605408253 /nfs/dbraw/zinc/40/82/53/605408253.db2.gz UDSHHVGISINKNG-LLVKDONJSA-N -1 0 315.370 -0.624 20 0 DBADRM C[C@H]1OCC[C@]1(C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000235666433 605411215 /nfs/dbraw/zinc/41/12/15/605411215.db2.gz ZSGBPWSRSBFYHN-KCJUWKMLSA-N -1 0 303.340 -0.187 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000833983869 605411461 /nfs/dbraw/zinc/41/14/61/605411461.db2.gz LARULNPBZXISSP-JTQLQIEISA-N -1 0 318.293 -0.283 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000823761266 605412926 /nfs/dbraw/zinc/41/29/26/605412926.db2.gz YXNDEEVQIRGFGO-DTWKUNHWSA-N -1 0 321.399 -0.181 20 0 DBADRM O=C(CN1CCS(=O)(=O)CC1)OC1CCN(C(=O)[O-])CC1 ZINC000834006417 605413028 /nfs/dbraw/zinc/41/30/28/605413028.db2.gz UWJWEJYFEPLGRZ-UHFFFAOYSA-N -1 0 320.367 -0.598 20 0 DBADRM Cn1cc(C(=O)NC[C@]2(C)CCCN(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000833943349 605417553 /nfs/dbraw/zinc/41/75/53/605417553.db2.gz JABHWCDFNQHAMK-AWEZNQCLSA-N -1 0 324.337 -0.004 20 0 DBADRM CCOC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000833658218 605424510 /nfs/dbraw/zinc/42/45/10/605424510.db2.gz ZHKPPWBNPFWZRO-RKDXNWHRSA-N -1 0 310.372 -0.185 20 0 DBADRM CC(C)[C@H](C(=O)NCCCNC(=O)[O-])N1CCCS1(=O)=O ZINC000824054881 605430271 /nfs/dbraw/zinc/43/02/71/605430271.db2.gz CRWGCJQIVSGQPN-SNVBAGLBSA-N -1 0 321.399 -0.180 20 0 DBADRM Cc1nonc1COC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-] ZINC000833933304 605431976 /nfs/dbraw/zinc/43/19/76/605431976.db2.gz GCBRUPVAQITDSA-SSDOTTSWSA-N -1 0 321.311 -0.508 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[C@@H]1O ZINC000833893506 605432842 /nfs/dbraw/zinc/43/28/42/605432842.db2.gz BLXWSMHSQRMGMQ-UTLUCORTSA-N -1 0 322.383 -0.666 20 0 DBADRM CC(C)[C@H](C(=O)NC1CN(C(=O)[O-])C1)N1CCCS1(=O)=O ZINC000824056981 605433959 /nfs/dbraw/zinc/43/39/59/605433959.db2.gz NHKUOMPMZHJXND-SNVBAGLBSA-N -1 0 319.383 -0.475 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nn1cc(Br)cn1 ZINC000834058839 605434754 /nfs/dbraw/zinc/43/47/54/605434754.db2.gz ORBQMPWTBRDIFY-RQJHMYQMSA-N -1 0 319.115 -0.171 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N1CCC(C(=O)NCCO)CC1 ZINC000824020714 605435124 /nfs/dbraw/zinc/43/51/24/605435124.db2.gz WKEACZOPCANYMM-UHFFFAOYSA-N -1 0 301.343 -0.620 20 0 DBADRM NC(=O)CN1CCN(C(=O)CC[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000833985493 605435356 /nfs/dbraw/zinc/43/53/56/605435356.db2.gz QEWWHIYEUYCEBV-LLVKDONJSA-N -1 0 312.370 -0.604 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)OC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000834285831 605435712 /nfs/dbraw/zinc/43/57/12/605435712.db2.gz SDKYEIYJCOQRIY-IUCAKERBSA-N -1 0 307.324 -0.657 20 0 DBADRM C[C@]1(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-])CCCO1 ZINC000833824221 605436177 /nfs/dbraw/zinc/43/61/77/605436177.db2.gz VCMWXDFHBRKDMP-JOYOIKCWSA-N -1 0 322.383 -0.257 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)cn1 ZINC000833948249 605437503 /nfs/dbraw/zinc/43/75/03/605437503.db2.gz WWOSLKWRJFZIDT-CABZTGNLSA-N -1 0 300.290 -0.338 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)[C@@H]2CSCN2C(=O)[O-])cn1 ZINC000833947476 605437509 /nfs/dbraw/zinc/43/75/09/605437509.db2.gz SJJBLBWFVOENFO-IUCAKERBSA-N -1 0 300.340 -0.377 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCC1(CO)COC1 ZINC000833682232 605440092 /nfs/dbraw/zinc/44/00/92/605440092.db2.gz FWNHCYUSRWLEBL-UHFFFAOYSA-N -1 0 319.335 -0.173 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCC[C@H](OCCO)C2)C1 ZINC000832060261 605441056 /nfs/dbraw/zinc/44/10/56/605441056.db2.gz IDMNMGQVPUQNBD-RYUDHWBXSA-N -1 0 316.354 -0.245 20 0 DBADRM CC(=O)NCc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])s1 ZINC000833397672 605441156 /nfs/dbraw/zinc/44/11/56/605441156.db2.gz HEKNSKRNBVVKAE-QMMMGPOBSA-N -1 0 322.364 -0.892 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCC[C@@H](OCCO)C2)C1 ZINC000832060259 605441377 /nfs/dbraw/zinc/44/13/77/605441377.db2.gz IDMNMGQVPUQNBD-NEPJUHHUSA-N -1 0 316.354 -0.245 20 0 DBADRM CC[C@@H](CO)N1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000826587771 605446887 /nfs/dbraw/zinc/44/68/87/605446887.db2.gz XPCRJMMLEDWXTF-WDEREUQCSA-N -1 0 317.411 -0.046 20 0 DBADRM O=C([O-])N[C@@H](C(=O)N[C@@H]1CCC(=O)NC1=O)c1ccccc1 ZINC000832752906 605448402 /nfs/dbraw/zinc/44/84/02/605448402.db2.gz WGDYKHNKJRZWHJ-MWLCHTKSSA-N -1 0 305.290 -0.083 20 0 DBADRM O=C([O-])NCc1nc(C(=O)N[C@H]2CCC(=O)NC2=O)cs1 ZINC000832734833 605448517 /nfs/dbraw/zinc/44/85/17/605448517.db2.gz OEYYNRPFTHEZPA-YFKPBYRVSA-N -1 0 312.307 -0.554 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000828656605 605454470 /nfs/dbraw/zinc/45/44/70/605454470.db2.gz USEJRYKCDZSILX-IVZWLZJFSA-N -1 0 300.311 -0.346 20 0 DBADRM Cc1nc(NCC(=O)N2CCN(C(=O)[O-])CC2)nc(N(C)C)n1 ZINC000830775555 605455207 /nfs/dbraw/zinc/45/52/07/605455207.db2.gz QDQCKGONDDROOF-UHFFFAOYSA-N -1 0 323.357 -0.520 20 0 DBADRM CC(C)[C@H](CNc1ccc(C(=O)NCCO)nn1)NC(=O)[O-] ZINC000824123012 605458145 /nfs/dbraw/zinc/45/81/45/605458145.db2.gz MBUSJZYEYWEAEW-JTQLQIEISA-N -1 0 311.342 -0.097 20 0 DBADRM C[C@@H]1CN(c2ccc(C(=O)NCCO)nn2)C[C@@H](C)N1C(=O)[O-] ZINC000826082579 605458516 /nfs/dbraw/zinc/45/85/16/605458516.db2.gz RJBAOTQEVMFQGU-NXEZZACHSA-N -1 0 323.353 -0.224 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)NCCN(CCOC)C(=O)[O-] ZINC000833876842 605458658 /nfs/dbraw/zinc/45/86/58/605458658.db2.gz JOFSYJHPFGBOPO-JTQLQIEISA-N -1 0 316.358 -0.467 20 0 DBADRM CN(C[C@@H]1CCN(c2ccc(C(=O)NCCO)nn2)C1)C(=O)[O-] ZINC000828266387 605459360 /nfs/dbraw/zinc/45/93/60/605459360.db2.gz FSMHYPVCWBXJLK-JTQLQIEISA-N -1 0 323.353 -0.365 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)N1CCCS(=O)(=O)CC1)C1CC1 ZINC000834148133 605459703 /nfs/dbraw/zinc/45/97/03/605459703.db2.gz YBMGEPJHFPTBEN-JTQLQIEISA-N -1 0 319.383 -0.137 20 0 DBADRM COCCN(CCNC(=O)NC[C@]1(O)CCOC1)C(=O)[O-] ZINC000833886260 605460609 /nfs/dbraw/zinc/46/06/09/605460609.db2.gz RCLXDVSKCVNEDA-GFCCVEGCSA-N -1 0 305.331 -0.937 20 0 DBADRM C[C@H]1CN(c2ccc(C(=O)NCCO)nn2)CC[C@H]1NC(=O)[O-] ZINC000826082471 605460871 /nfs/dbraw/zinc/46/08/71/605460871.db2.gz PUBULBGIOQFTEY-VHSXEESVSA-N -1 0 323.353 -0.319 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000831260285 605461410 /nfs/dbraw/zinc/46/14/10/605461410.db2.gz MFWDVNNPPDKTTO-ZETCQYMHSA-N -1 0 323.309 -0.173 20 0 DBADRM CNS(=O)(=O)CC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828572809 605466001 /nfs/dbraw/zinc/46/60/01/605466001.db2.gz IWLQEOLTHWLENB-SECBINFHSA-N -1 0 305.356 -0.721 20 0 DBADRM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC000833420561 605468874 /nfs/dbraw/zinc/46/88/74/605468874.db2.gz NYUCYESHNQPQLC-SFYZADRCSA-N -1 0 304.368 -0.504 20 0 DBADRM O=C([O-])N1CCC[C@H]1CCC(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000834287859 605477568 /nfs/dbraw/zinc/47/75/68/605477568.db2.gz ACXNHUYFDSFNPB-XPTSAGLGSA-N -1 0 324.337 -0.281 20 0 DBADRM Cc1noc(CNC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)n1 ZINC000833933318 605482975 /nfs/dbraw/zinc/48/29/75/605482975.db2.gz GLBHRJJISHCDTI-JTQLQIEISA-N -1 0 313.314 -0.597 20 0 DBADRM O=C(CNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)NCC1CC1 ZINC000834004953 605483646 /nfs/dbraw/zinc/48/36/46/605483646.db2.gz JPCZCFIUAULKQL-NSHDSACASA-N -1 0 313.354 -0.212 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000833820464 605486088 /nfs/dbraw/zinc/48/60/88/605486088.db2.gz ZHTARRREOJAAKJ-IVZWLZJFSA-N -1 0 319.383 -0.139 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)OCc1ccccc1C(=O)[O-] ZINC000833396777 605500015 /nfs/dbraw/zinc/50/00/15/605500015.db2.gz PMGZOFFNBQAAMB-UHFFFAOYSA-N -1 0 308.290 -0.320 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCCNS(C)(=O)=O ZINC000825824659 605505444 /nfs/dbraw/zinc/50/54/44/605505444.db2.gz UNYVPTKRRAZWAP-IUCAKERBSA-N -1 0 322.387 -0.634 20 0 DBADRM CN(CCN(C)C(=O)c1coc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000833873266 605505555 /nfs/dbraw/zinc/50/55/55/605505555.db2.gz FTLBAFGZHTWDOE-UHFFFAOYSA-N -1 0 305.312 -0.391 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000833434018 605507894 /nfs/dbraw/zinc/50/78/94/605507894.db2.gz NRETZAPGFKAUOP-HTQZYQBOSA-N -1 0 301.295 -0.292 20 0 DBADRM CN(CCN(C)S(=O)(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC000833873960 605513242 /nfs/dbraw/zinc/51/32/42/605513242.db2.gz STCPQOCXXVWTLG-UHFFFAOYSA-N -1 0 309.388 -0.116 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)OC[C@H]1COC(=O)O1 ZINC000833797951 605514482 /nfs/dbraw/zinc/51/44/82/605514482.db2.gz RSZJCHITVXOEAM-CBAPKCEASA-N -1 0 318.282 -0.527 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)O[C@H]1CCN(C)C1=O ZINC000833798017 605514547 /nfs/dbraw/zinc/51/45/47/605514547.db2.gz YYBSXPOBHKFZGY-WPRPVWTQSA-N -1 0 315.326 -0.831 20 0 DBADRM NC(=O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833985557 605517909 /nfs/dbraw/zinc/51/79/09/605517909.db2.gz RCFBPRIMBBBEGS-QWRGUYRKSA-N -1 0 312.370 -0.558 20 0 DBADRM C[C@H](NC(=O)N(C)CCN(C)C(=O)[O-])[C@@H]1CN(C)CCO1 ZINC000833813561 605524150 /nfs/dbraw/zinc/52/41/50/605524150.db2.gz RFAJGFIBNQECPD-QWRGUYRKSA-N -1 0 302.375 -0.043 20 0 DBADRM O=C([O-])N1CC[C@@H](CNC(=O)Cn2nc3ccccn3c2=O)C1 ZINC000834012612 605532898 /nfs/dbraw/zinc/53/28/98/605532898.db2.gz VCORAWWUKDKION-JTQLQIEISA-N -1 0 319.321 -0.388 20 0 DBADRM O=C(CN1CCCS1(=O)=O)NC[C@H]1CCN(C(=O)[O-])C1 ZINC000834007667 605540662 /nfs/dbraw/zinc/54/06/62/605540662.db2.gz OCLPSXMIPCKIEK-SECBINFHSA-N -1 0 305.356 -0.862 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000828964302 605545965 /nfs/dbraw/zinc/54/59/65/605545965.db2.gz RQQCMSCENFOVIN-NXEZZACHSA-N -1 0 309.388 -0.070 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCOC[C@H]2CCO)C1 ZINC000834120103 605546110 /nfs/dbraw/zinc/54/61/10/605546110.db2.gz UIJFAHRGGJCFFO-GHMZBOCLSA-N -1 0 302.327 -0.635 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCOC[C@@H]2c2ncon2)C1 ZINC000834118018 605552176 /nfs/dbraw/zinc/55/21/76/605552176.db2.gz VURFWAVMOHQBTA-RKDXNWHRSA-N -1 0 312.282 -0.652 20 0 DBADRM C[C@H](O)c1cn(C2CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C2)nn1 ZINC000833518852 605559273 /nfs/dbraw/zinc/55/92/73/605559273.db2.gz JZGDDOLOWPNGFI-SFYZADRCSA-N -1 0 318.355 -0.761 20 0 DBADRM Cn1ccnc(N2CCN(C(=O)C3CN(C(=O)[O-])C3)CC2)c1=O ZINC000833952758 605560858 /nfs/dbraw/zinc/56/08/58/605560858.db2.gz PQDMEZVOLPVHIA-UHFFFAOYSA-N -1 0 321.337 -0.961 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000823986718 605561187 /nfs/dbraw/zinc/56/11/87/605561187.db2.gz WMFNMXORNKAGSC-QMMMGPOBSA-N -1 0 307.372 -0.234 20 0 DBADRM O=C([O-])N1CC[C@H](N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000834083798 605581517 /nfs/dbraw/zinc/58/15/17/605581517.db2.gz KUIHTLOFEWEDML-ZDUSSCGKSA-N -1 0 310.398 -0.021 20 0 DBADRM O=C([O-])N1CC[C@@H](N2CCN(C(=O)c3cnccn3)CC2)C1 ZINC000834083262 605583539 /nfs/dbraw/zinc/58/35/39/605583539.db2.gz JMBARPUPRYGMOT-LLVKDONJSA-N -1 0 305.338 -0.013 20 0 DBADRM O=C([O-])N1CC[C@@H](N2CCN(CCN3CCNC3=O)CC2)C1 ZINC000834085731 605584804 /nfs/dbraw/zinc/58/48/04/605584804.db2.gz UDZBMUNDEVJTEU-GFCCVEGCSA-N -1 0 311.386 -0.619 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000825520790 605591912 /nfs/dbraw/zinc/59/19/12/605591912.db2.gz GMUNLQWQZHHFEA-LLVKDONJSA-N -1 0 302.375 -0.306 20 0 DBADRM O=C([O-])Nc1cccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC000834267798 605603262 /nfs/dbraw/zinc/60/32/62/605603262.db2.gz BLGGYGHGRJHONB-GFCCVEGCSA-N -1 0 318.333 -0.081 20 0 DBADRM O=C([O-])NCCN(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000834240572 605606018 /nfs/dbraw/zinc/60/60/18/605606018.db2.gz VEJHEMBHICSWCD-MNOVXSKESA-N -1 0 306.384 -0.078 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000833984422 605606254 /nfs/dbraw/zinc/60/62/54/605606254.db2.gz PLTULJDUHJEKQE-SNVBAGLBSA-N -1 0 320.305 -0.577 20 0 DBADRM O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)NCC(=O)NCCO ZINC000834005350 605620342 /nfs/dbraw/zinc/62/03/42/605620342.db2.gz OCYIJKSJDBGUSK-AXFHLTTASA-N -1 0 313.354 -0.478 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C2SCCS2)CC1 ZINC000834019518 605621717 /nfs/dbraw/zinc/62/17/17/605621717.db2.gz PDPOLEXNWLXTGC-UHFFFAOYSA-N -1 0 319.408 -0.269 20 0 DBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2CCN(CCO)CC2)C1 ZINC000831996545 605622458 /nfs/dbraw/zinc/62/24/58/605622458.db2.gz HJRSGSFFYLELML-LBPRGKRZSA-N -1 0 315.370 -0.718 20 0 DBADRM O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)NCC(=O)NCCO ZINC000834187739 605622892 /nfs/dbraw/zinc/62/28/92/605622892.db2.gz YYHSHXYPWZHPBZ-WDEREUQCSA-N -1 0 315.370 -0.182 20 0 DBADRM O=C([O-])NC[C@H](C(=O)NCC(=O)NCCO)c1ccccc1 ZINC000834210765 605625458 /nfs/dbraw/zinc/62/54/58/605625458.db2.gz UAGFMPFDNRDLHO-NSHDSACASA-N -1 0 309.322 -0.738 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCCC[C@H]2CCO)C(=O)C1 ZINC000834113336 605626591 /nfs/dbraw/zinc/62/65/91/605626591.db2.gz QAEXISQMKQEGNH-NSHDSACASA-N -1 0 313.354 -0.428 20 0 DBADRM O=C(C[C@H]1CSCCN1C(=O)[O-])N[C@H]1CCCNC1=O ZINC000831408346 605631150 /nfs/dbraw/zinc/63/11/50/605631150.db2.gz MRIAFRVILHRQFV-IUCAKERBSA-N -1 0 301.368 -0.133 20 0 DBADRM C[C@H](NC(=O)CN1CCC(NC(=O)[O-])CC1)c1nncn1C ZINC000825120858 605637452 /nfs/dbraw/zinc/63/74/52/605637452.db2.gz HZSQRBZQZKMNGJ-VIFPVBQESA-N -1 0 310.358 -0.276 20 0 DBADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)OCCN2CCOCC2=O)C1 ZINC000834163084 605641879 /nfs/dbraw/zinc/64/18/79/605641879.db2.gz GEYWFZDXUCJLAV-ZJUUUORDSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)OCCN2CCOCC2=O)C1 ZINC000834163082 605641935 /nfs/dbraw/zinc/64/19/35/605641935.db2.gz GEYWFZDXUCJLAV-VHSXEESVSA-N -1 0 300.311 -0.175 20 0 DBADRM CC(C)CNC(=O)NC(=O)COC(=O)c1cnc(C(=O)[O-])cn1 ZINC000833489517 605644405 /nfs/dbraw/zinc/64/44/05/605644405.db2.gz NQXNAWNRCNNHCB-UHFFFAOYSA-N -1 0 324.293 -0.187 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)NC[C@@H]2CN3CCN2CC3)o1 ZINC000834249420 605652200 /nfs/dbraw/zinc/65/22/00/605652200.db2.gz VRINLMHDRBMNNZ-SNVBAGLBSA-N -1 0 308.338 -0.223 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC000833664930 605655319 /nfs/dbraw/zinc/65/53/19/605655319.db2.gz HLEHPVGFYPFQIV-DTWKUNHWSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN1CCCC1=O ZINC000833704988 605656190 /nfs/dbraw/zinc/65/61/90/605656190.db2.gz IXIIXLCZDLDTSF-ZJUUUORDSA-N -1 0 312.322 -0.526 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000823986194 605656280 /nfs/dbraw/zinc/65/62/80/605656280.db2.gz MSRDIXCGDLGCRP-JGVFFNPUSA-N -1 0 302.331 -0.635 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)O1 ZINC000831173310 605658164 /nfs/dbraw/zinc/65/81/64/605658164.db2.gz LQGIKPOLJZPOMR-GUBZILKMSA-N -1 0 314.342 -0.539 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)O1 ZINC000833980603 605658814 /nfs/dbraw/zinc/65/88/14/605658814.db2.gz LQGIKPOLJZPOMR-IVZWLZJFSA-N -1 0 314.342 -0.539 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000833982638 605666194 /nfs/dbraw/zinc/66/61/94/605666194.db2.gz BEPCGZNBTAQQOK-QMMMGPOBSA-N -1 0 322.277 -0.532 20 0 DBADRM NC(=O)[C@H]1COCCN1C(=O)CCC1CCN(C(=O)[O-])CC1 ZINC000833979800 605668733 /nfs/dbraw/zinc/66/87/33/605668733.db2.gz IFSVBRVCMOFRPX-LLVKDONJSA-N -1 0 313.354 -0.131 20 0 DBADRM Cn1c2ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])cc2oc1=O ZINC000833940085 605668883 /nfs/dbraw/zinc/66/88/83/605668883.db2.gz GJGSPNAZECHMKW-SSDOTTSWSA-N -1 0 322.277 -0.418 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CCN2CCCS2(=O)=O)CCO1 ZINC000833821034 605669063 /nfs/dbraw/zinc/66/90/63/605669063.db2.gz XKZUQYSGYVPBBI-MNOVXSKESA-N -1 0 321.399 -0.621 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(CC(N)=O)CC1 ZINC000736422384 605669056 /nfs/dbraw/zinc/66/90/56/605669056.db2.gz QGMPAHDSAGYEOX-JTQLQIEISA-N -1 0 300.359 -0.702 20 0 DBADRM NC(=O)[C@@H]1COCCN1C(=O)CCC1CCN(C(=O)[O-])CC1 ZINC000833979802 605669123 /nfs/dbraw/zinc/66/91/23/605669123.db2.gz IFSVBRVCMOFRPX-NSHDSACASA-N -1 0 313.354 -0.131 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000833984517 605670002 /nfs/dbraw/zinc/67/00/02/605670002.db2.gz QSVRDWSMMVWQHB-VIFPVBQESA-N -1 0 318.293 -0.078 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000833985070 605670021 /nfs/dbraw/zinc/67/00/21/605670021.db2.gz VOSMXFBXTKHXKZ-QMMMGPOBSA-N -1 0 319.281 -0.888 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1 ZINC000833530509 605671777 /nfs/dbraw/zinc/67/17/77/605671777.db2.gz VERFSZQRSMTDEB-IUCAKERBSA-N -1 0 309.322 -0.109 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1CC1(O)CCS(=O)(=O)CC1 ZINC000826027787 605694727 /nfs/dbraw/zinc/69/47/27/605694727.db2.gz WHBOAIMLEJHHQL-SNVBAGLBSA-N -1 0 306.384 -0.390 20 0 DBADRM CC[C@@](C)(CNC(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000833840292 605696653 /nfs/dbraw/zinc/69/66/53/605696653.db2.gz JSGHEVNZERRBMA-ZDUSSCGKSA-N -1 0 314.342 -0.272 20 0 DBADRM CC(C)N1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)CC1=O ZINC000833499934 605700285 /nfs/dbraw/zinc/70/02/85/605700285.db2.gz SCKKYNARSLOEGL-UHFFFAOYSA-N -1 0 311.382 -0.138 20 0 DBADRM O=C([O-])NC1CCN(CC(=O)N2CCS(=O)CC2)CC1 ZINC000832381885 605702230 /nfs/dbraw/zinc/70/22/30/605702230.db2.gz OBYCPJJLIBLMGV-UHFFFAOYSA-N -1 0 303.384 -0.691 20 0 DBADRM O=C([O-])N1CCOC[C@H]1c1noc(CN2CC(=O)NC2=O)n1 ZINC000834289682 605702318 /nfs/dbraw/zinc/70/23/18/605702318.db2.gz OCWDKAJZMXYSIT-LURJTMIESA-N -1 0 311.254 -0.827 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC000834289267 605704316 /nfs/dbraw/zinc/70/43/16/605704316.db2.gz KPVLOKMNKIBXKF-QMMMGPOBSA-N -1 0 306.278 -0.105 20 0 DBADRM Cn1nnnc1SCCC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000739062487 605709091 /nfs/dbraw/zinc/70/90/91/605709091.db2.gz QPCSKPPKQCPPKJ-QMMMGPOBSA-N -1 0 314.371 -0.049 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000826019936 605713179 /nfs/dbraw/zinc/71/31/79/605713179.db2.gz IUIXNSCKPBLPJH-ZJUUUORDSA-N -1 0 321.337 -0.027 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C1 ZINC000834016658 605715641 /nfs/dbraw/zinc/71/56/41/605715641.db2.gz FWDVXUWKSYLOHM-JTNHKYCSSA-N -1 0 314.338 -0.181 20 0 DBADRM COC(=O)C[C@H]1CCCN1C(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000828656769 605719210 /nfs/dbraw/zinc/71/92/10/605719210.db2.gz YPJRFNHBLUCKCU-ZJUUUORDSA-N -1 0 300.311 -0.081 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000739926459 605720500 /nfs/dbraw/zinc/72/05/00/605720500.db2.gz IPZIBLBUUIGWDG-VIFPVBQESA-N -1 0 305.356 -0.431 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H](CO)c1cccc(F)c1 ZINC000834196568 605723054 /nfs/dbraw/zinc/72/30/54/605723054.db2.gz KXNXPVYELUEZJQ-JTQLQIEISA-N -1 0 313.285 -0.641 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000736415333 605726254 /nfs/dbraw/zinc/72/62/54/605726254.db2.gz MZLATFHJYHJNGA-UWVGGRQHSA-N -1 0 321.399 -0.181 20 0 DBADRM CCn1c(C)nnc1CON=C(N)[C@@H]1COCCN1C(=O)[O-] ZINC000833867552 605732322 /nfs/dbraw/zinc/73/23/22/605732322.db2.gz PUUFDJOPBIMQDX-VIFPVBQESA-N -1 0 312.330 -0.016 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000834035196 605734210 /nfs/dbraw/zinc/73/42/10/605734210.db2.gz JSZOFYHBHJXRIQ-NEPJUHHUSA-N -1 0 312.370 -0.241 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000834033176 605736442 /nfs/dbraw/zinc/73/64/42/605736442.db2.gz FLVOSZHADIEUCC-VIFPVBQESA-N -1 0 305.356 -0.527 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)NCC1CN(C(=O)[O-])C1)CC2 ZINC000833915352 605737844 /nfs/dbraw/zinc/73/78/44/605737844.db2.gz NEGYRPLZWFWTBW-JTQLQIEISA-N -1 0 308.342 -0.190 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CN1C(=O)CN(C)C1=O ZINC000825809712 605739097 /nfs/dbraw/zinc/73/90/97/605739097.db2.gz QCGQEPDJSCJKLX-RKDXNWHRSA-N -1 0 312.326 -0.473 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NCCNC(=O)c2cccnc2)C1 ZINC000834040774 605739944 /nfs/dbraw/zinc/73/99/44/605739944.db2.gz GYLSJOBJCUWJMR-UHFFFAOYSA-N -1 0 321.337 -0.280 20 0 DBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CN(C)S(C)(=O)=O ZINC000825810144 605739958 /nfs/dbraw/zinc/73/99/58/605739958.db2.gz SXKHWOVNSULBSV-DTWKUNHWSA-N -1 0 307.372 -0.475 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CN(C)S(C)(=O)=O ZINC000825810143 605739986 /nfs/dbraw/zinc/73/99/86/605739986.db2.gz SXKHWOVNSULBSV-BDAKNGLRSA-N -1 0 307.372 -0.475 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCC1(CO)CCOCC1 ZINC000834021880 605743366 /nfs/dbraw/zinc/74/33/66/605743366.db2.gz LLCZVOSFWAFXJG-ZJUUUORDSA-N -1 0 302.327 -0.995 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000834011115 605747440 /nfs/dbraw/zinc/74/74/40/605747440.db2.gz RRGKAYXIAXGOGE-HZMBPMFUSA-N -1 0 314.338 -0.181 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000834019920 605748247 /nfs/dbraw/zinc/74/82/47/605748247.db2.gz SMIBTBMXCUWLAA-ZHSDAYTOSA-N -1 0 314.338 -0.446 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCCc1nc2ccccc2[nH]1 ZINC000833983442 605751222 /nfs/dbraw/zinc/75/12/22/605751222.db2.gz VITAKNWMLIYBMC-JTQLQIEISA-N -1 0 319.321 -0.267 20 0 DBADRM Cc1ccc([C@@H](O)CNC(=O)[C@H](CC(N)=O)NC(=O)[O-])cc1 ZINC000833905987 605751422 /nfs/dbraw/zinc/75/14/22/605751422.db2.gz ZWTFHIHDNDYGRP-QWRGUYRKSA-N -1 0 309.322 -0.344 20 0 DBADRM Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833960959 605751438 /nfs/dbraw/zinc/75/14/38/605751438.db2.gz HQZLNLUBXMDRCM-IUCAKERBSA-N -1 0 309.326 -0.575 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC000834041369 605754196 /nfs/dbraw/zinc/75/41/96/605754196.db2.gz JRWZIZOYFMOJML-GFCCVEGCSA-N -1 0 321.381 -0.143 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CCNS(C)(=O)=O ZINC000825810719 605754231 /nfs/dbraw/zinc/75/42/31/605754231.db2.gz XDUANQSQDYGFII-IUCAKERBSA-N -1 0 307.372 -0.427 20 0 DBADRM Cn1ccc(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)n1 ZINC000833949593 605754427 /nfs/dbraw/zinc/75/44/27/605754427.db2.gz AHMKLHNXBBNCBG-UHFFFAOYSA-N -1 0 307.310 -0.016 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1cn2c(n1)CCCC2 ZINC000833981858 605756757 /nfs/dbraw/zinc/75/67/57/605756757.db2.gz HYPYGCOUMPNBNK-SECBINFHSA-N -1 0 309.326 -0.653 20 0 DBADRM NC(=O)CN1CCN(C(=O)Cc2cccc(NC(=O)[O-])c2)CC1 ZINC000833985794 605756780 /nfs/dbraw/zinc/75/67/80/605756780.db2.gz WQBLZDSCCQKHMF-UHFFFAOYSA-N -1 0 320.349 -0.052 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1nc2ccccc2[nH]1 ZINC000833983644 605757223 /nfs/dbraw/zinc/75/72/23/605757223.db2.gz VLUXEWZMAQLOCW-SECBINFHSA-N -1 0 305.294 -0.309 20 0 DBADRM Cn1cc([C@@H]2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])C2)cn1 ZINC000833946531 605758439 /nfs/dbraw/zinc/75/84/39/605758439.db2.gz HMEBIVCETXGFNG-PSASIEDQSA-N -1 0 309.326 -0.752 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000833806120 605759079 /nfs/dbraw/zinc/75/90/79/605759079.db2.gz JTPDCXQJYQVGHC-SSDOTTSWSA-N -1 0 316.339 -0.638 20 0 DBADRM CC(=O)N1CCN(C(=O)CCNC(=O)CCCC(=O)[O-])CC1 ZINC000833393148 605761440 /nfs/dbraw/zinc/76/14/40/605761440.db2.gz HNIXAZOOCBOLIA-UHFFFAOYSA-N -1 0 313.354 -0.562 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CC[C@H](Oc2ccccn2)C1 ZINC000833979087 605761460 /nfs/dbraw/zinc/76/14/60/605761460.db2.gz BZECOXJOQCXZLC-UWVGGRQHSA-N -1 0 322.321 -0.427 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000833982234 605762130 /nfs/dbraw/zinc/76/21/30/605762130.db2.gz ZZLJYHIRKSBHEJ-VIFPVBQESA-N -1 0 309.326 -0.373 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc2c(c1)COC2 ZINC000833983700 605763189 /nfs/dbraw/zinc/76/31/89/605763189.db2.gz WOVQOVBXKMMXEC-LLVKDONJSA-N -1 0 307.306 -0.155 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000824210411 605764430 /nfs/dbraw/zinc/76/44/30/605764430.db2.gz FUPMFDUVGZCMTQ-NSHDSACASA-N -1 0 315.370 -0.016 20 0 DBADRM O=C([O-])NC1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000834183815 605764628 /nfs/dbraw/zinc/76/46/28/605764628.db2.gz GFWSGQYUPJCTPU-UHFFFAOYSA-N -1 0 324.341 -0.419 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000833982997 605767097 /nfs/dbraw/zinc/76/70/97/605767097.db2.gz DSCBNNFFCDXKKW-QMMMGPOBSA-N -1 0 319.281 -0.683 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CNC(=O)C2CC2)[C@H](C(=O)[O-])C1 ZINC000833711388 605768909 /nfs/dbraw/zinc/76/89/09/605768909.db2.gz WUCAVSULJJMBAR-UWVGGRQHSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN1CCOCC1 ZINC000833705463 605769894 /nfs/dbraw/zinc/76/98/94/605769894.db2.gz KFMKGYWRZAPQGO-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)(C)C)CC1 ZINC000828540772 605770149 /nfs/dbraw/zinc/77/01/49/605770149.db2.gz ANXXZCRZXSSHMV-LLVKDONJSA-N -1 0 314.386 -0.441 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CN2CCOCC2)[C@H](C(=O)[O-])C1 ZINC000833711134 605770392 /nfs/dbraw/zinc/77/03/92/605770392.db2.gz TVWOPUNBLSAKQL-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])N1CC(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000834066823 605771829 /nfs/dbraw/zinc/77/18/29/605771829.db2.gz JRSHYILZLKCQMH-GFCCVEGCSA-N -1 0 323.353 -0.097 20 0 DBADRM O=C([O-])NC1CCN(CC(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000832381986 605776086 /nfs/dbraw/zinc/77/60/86/605776086.db2.gz PXAJDGDFKDEMAZ-LLVKDONJSA-N -1 0 322.369 -0.039 20 0 DBADRM Cn1nnnc1CCNC(=O)c1csc(CNC(=O)[O-])n1 ZINC000833960744 605785357 /nfs/dbraw/zinc/78/53/57/605785357.db2.gz MSIAKXCEJSEQTL-UHFFFAOYSA-N -1 0 311.327 -0.593 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000823843694 605787553 /nfs/dbraw/zinc/78/75/53/605787553.db2.gz NRCBVAFZALOGOO-XHNCKOQMSA-N -1 0 301.343 -0.182 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000824211419 605787561 /nfs/dbraw/zinc/78/75/61/605787561.db2.gz PTNIPIAKQZXLEZ-UTLUCORTSA-N -1 0 301.343 -0.182 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000833807689 605788355 /nfs/dbraw/zinc/78/83/55/605788355.db2.gz LTTKXTKDDAWGEQ-BDAKNGLRSA-N -1 0 307.372 -0.376 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NCC(=O)NCC(F)(F)F ZINC000833809737 605791387 /nfs/dbraw/zinc/79/13/87/605791387.db2.gz VKCXQJFRJQCJMP-ZCFIWIBFSA-N -1 0 314.264 -0.132 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)NCCN1CCOCC1)C1CC1 ZINC000834143896 605793235 /nfs/dbraw/zinc/79/32/35/605793235.db2.gz IBQDINBDCBQIGX-NSHDSACASA-N -1 0 300.359 -0.336 20 0 DBADRM Cn1nnnc1CCNC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000833961057 605793467 /nfs/dbraw/zinc/79/34/67/605793467.db2.gz PHHCBRZWAPRNPW-RKDXNWHRSA-N -1 0 311.346 -0.512 20 0 DBADRM O=C([O-])NCCCC(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000832605153 605807588 /nfs/dbraw/zinc/80/75/88/605807588.db2.gz KDHULXIXSUSOIT-UHFFFAOYSA-N -1 0 315.370 -0.229 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCOC2(CCOCC2)C1 ZINC000831274828 605810554 /nfs/dbraw/zinc/81/05/54/605810554.db2.gz YGIVIOJWLKADDA-QWRGUYRKSA-N -1 0 314.338 -0.492 20 0 DBADRM CS[C@H](CO)[C@H](C)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000829710178 605812024 /nfs/dbraw/zinc/81/20/24/605812024.db2.gz KPIHTAHAZOTJOZ-DTWKUNHWSA-N -1 0 319.383 -0.963 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000833808340 605813081 /nfs/dbraw/zinc/81/30/81/605813081.db2.gz CYRCXCMQLSWQKF-MOVJSRMASA-N -1 0 324.337 -0.883 20 0 DBADRM Cn1nnnc1COC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000831064541 605817962 /nfs/dbraw/zinc/81/79/62/605817962.db2.gz IIQZCJMKAADUER-ZETCQYMHSA-N -1 0 301.328 -0.261 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834041320 605818932 /nfs/dbraw/zinc/81/89/32/605818932.db2.gz INEGLTZSCMJAMK-GFCCVEGCSA-N -1 0 313.289 -0.652 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000834129685 605818957 /nfs/dbraw/zinc/81/89/57/605818957.db2.gz KSPJMMOMQZGNDP-ZETCQYMHSA-N -1 0 319.268 -0.453 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@@H](NC(=O)[O-])C2CC2)O1 ZINC000833980854 605823879 /nfs/dbraw/zinc/82/38/79/605823879.db2.gz NFBJJZLEWCQUGY-AEJSXWLSSA-N -1 0 314.342 -0.635 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)CCC[C@@]1(C)NC(=O)NC1=O ZINC000833808022 605827199 /nfs/dbraw/zinc/82/71/99/605827199.db2.gz ALBCJRCPGVGNGX-AMIZOPFISA-N -1 0 314.342 -0.225 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000833808637 605830303 /nfs/dbraw/zinc/83/03/03/605830303.db2.gz FITYKSVZFPWCIQ-VHSXEESVSA-N -1 0 321.399 -0.875 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834182456 605830265 /nfs/dbraw/zinc/83/02/65/605830265.db2.gz ACGQSBFTXROXKI-QMMMGPOBSA-N -1 0 310.314 -0.809 20 0 DBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000825840059 605836990 /nfs/dbraw/zinc/83/69/90/605836990.db2.gz XJBRWAFBQRTRAO-JGVFFNPUSA-N -1 0 310.310 -0.253 20 0 DBADRM C[C@@]1(C(=O)OCCN2C(=O)CNC2=O)CCCN(C(=O)[O-])C1 ZINC000833821810 605854454 /nfs/dbraw/zinc/85/44/54/605854454.db2.gz FMNTVJPBORVRCA-CYBMUJFWSA-N -1 0 313.310 -0.139 20 0 DBADRM Cn1cnn(Cc2nc([C@@H]3COCCN3C(=O)[O-])no2)c1=O ZINC000833955417 605856235 /nfs/dbraw/zinc/85/62/35/605856235.db2.gz BDKYZZLHXKVDCQ-ZETCQYMHSA-N -1 0 310.270 -0.936 20 0 DBADRM O=C([O-])N1CC(NC(=O)CNC(=O)Cc2ccc(O)cc2)C1 ZINC000834013044 605856405 /nfs/dbraw/zinc/85/64/05/605856405.db2.gz PLOUDDRSUOBHIM-UHFFFAOYSA-N -1 0 307.306 -0.471 20 0 DBADRM C[C@@]1(C(=O)OCc2nc(N)nc(N)n2)CCCN(C(=O)[O-])C1 ZINC000833823211 605857622 /nfs/dbraw/zinc/85/76/22/605857622.db2.gz XALIKKJKTMNHOE-GFCCVEGCSA-N -1 0 310.314 -0.141 20 0 DBADRM CC[C@@](C)(CNC(=O)[O-])C(=O)NCCN1CCNC(=O)C1 ZINC000833840993 605859892 /nfs/dbraw/zinc/85/98/92/605859892.db2.gz NXHCHKKMTNRHKA-ZDUSSCGKSA-N -1 0 300.359 -0.782 20 0 DBADRM O=C([O-])N1CCC2(C[C@@H]2C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000834289895 605860709 /nfs/dbraw/zinc/86/07/09/605860709.db2.gz QRLAPTXDKOWJBM-LLVKDONJSA-N -1 0 324.381 -0.686 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)NCCN2CCNC(=O)C2)cc1 ZINC000833775193 605864794 /nfs/dbraw/zinc/86/47/94/605864794.db2.gz BFYFJUKGEOVNAM-UHFFFAOYSA-N -1 0 320.349 -0.133 20 0 DBADRM CCc1[nH]c(C(=O)NCCN2CCNC(=O)C2)c(C)c1C(=O)[O-] ZINC000833669751 605865618 /nfs/dbraw/zinc/86/56/18/605865618.db2.gz WIURLFYHTSGGAF-UHFFFAOYSA-N -1 0 322.365 -0.255 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)c2cc(C(=O)[O-])no2)CC1 ZINC000833687991 605867980 /nfs/dbraw/zinc/86/79/80/605867980.db2.gz GGCPDNOJIZDWRP-UHFFFAOYSA-N -1 0 310.310 -0.781 20 0 DBADRM CN(CCNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-] ZINC000833871819 605868339 /nfs/dbraw/zinc/86/83/39/605868339.db2.gz AUQQDRNORIIWMW-SECBINFHSA-N -1 0 318.355 -0.267 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)CCC(=O)N1CCOCC1)C1CC1 ZINC000834140345 605871784 /nfs/dbraw/zinc/87/17/84/605871784.db2.gz NLTRZNQRXMBAEO-LLVKDONJSA-N -1 0 313.354 -0.212 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCO[C@H](CO)C1 ZINC000826099206 605876167 /nfs/dbraw/zinc/87/61/67/605876167.db2.gz AQHVKVJIXNLJSZ-LPEHRKFASA-N -1 0 302.327 -0.291 20 0 DBADRM O=C([O-])NCc1nc(C(=O)N2CCO[C@@H](CO)C2)cs1 ZINC000832734727 605877360 /nfs/dbraw/zinc/87/73/60/605877360.db2.gz LHYAFXDKHPKDII-SSDOTTSWSA-N -1 0 301.324 -0.256 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000831013943 605877931 /nfs/dbraw/zinc/87/79/31/605877931.db2.gz GMGHEQSLFVSNDF-MRVPVSSYSA-N -1 0 313.335 -0.240 20 0 DBADRM CCN(CCCNC(=O)NCCN1CCNC(=O)C1)C(=O)[O-] ZINC000833858712 605878388 /nfs/dbraw/zinc/87/83/88/605878388.db2.gz NPLOPIBHUCFUFU-UHFFFAOYSA-N -1 0 315.374 -0.893 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCCN1C(=O)CCCNC(=O)[O-] ZINC000831245328 605879308 /nfs/dbraw/zinc/87/93/08/605879308.db2.gz HYFOIMDLRDLCSH-SECBINFHSA-N -1 0 307.372 -0.296 20 0 DBADRM NS(=O)(=O)CCNC(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833987324 605884905 /nfs/dbraw/zinc/88/49/05/605884905.db2.gz YVKNPBYWQWVQER-QMMMGPOBSA-N -1 0 305.356 -0.829 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000823851038 605890653 /nfs/dbraw/zinc/89/06/53/605890653.db2.gz UYQFFLVCDRFDJV-SNVBAGLBSA-N -1 0 315.326 -0.830 20 0 DBADRM O=C([O-])NC1(c2noc(C[C@@H]3NC(=O)NC3=O)n2)CCCC1 ZINC000834158279 605893192 /nfs/dbraw/zinc/89/31/92/605893192.db2.gz PYNWSINCNYCNCN-LURJTMIESA-N -1 0 309.282 -0.143 20 0 DBADRM COCCN(CC(=O)N(C)CC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000833883932 605907001 /nfs/dbraw/zinc/90/70/01/605907001.db2.gz XKOFZOPEUXYWMS-UHFFFAOYSA-N -1 0 324.399 -0.106 20 0 DBADRM O=C([O-])N1CCC2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC000834287926 605908017 /nfs/dbraw/zinc/90/80/17/605908017.db2.gz BILSTUVHMRQKSU-VIFPVBQESA-N -1 0 324.337 -0.423 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CC[C@H](NC(=O)[O-])C1 ZINC000739808443 605916089 /nfs/dbraw/zinc/91/60/89/605916089.db2.gz SJRVWTCAQBKUGN-BDAKNGLRSA-N -1 0 302.331 -0.811 20 0 DBADRM O=C([O-])NCCCCC(=O)NCCN1CCS(=O)(=O)CC1 ZINC000834236234 605919206 /nfs/dbraw/zinc/91/92/06/605919206.db2.gz QWVOWROGGRCMFK-UHFFFAOYSA-N -1 0 321.399 -0.729 20 0 DBADRM NC(=O)CN1CCCN(C(=O)CCCCNC(=O)[O-])CC1 ZINC000833984939 605920320 /nfs/dbraw/zinc/92/03/20/605920320.db2.gz LIMZLFKVJAPVDB-UHFFFAOYSA-N -1 0 300.359 -0.556 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)ccc1=O ZINC000833949446 605920597 /nfs/dbraw/zinc/92/05/97/605920597.db2.gz JPBVHPWVZWYJPX-SECBINFHSA-N -1 0 322.321 -0.560 20 0 DBADRM Cn1c(NC[C@@H](NC(=O)[O-])C2CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000833941756 605921290 /nfs/dbraw/zinc/92/12/90/605921290.db2.gz GALCEXPELZGMDQ-SSDOTTSWSA-N -1 0 322.325 -0.169 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000833897097 605921673 /nfs/dbraw/zinc/92/16/73/605921673.db2.gz DYYXYNBTMZYRNG-SECBINFHSA-N -1 0 324.337 -0.253 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCC(C)(C)NC(=O)[O-] ZINC000833897332 605921946 /nfs/dbraw/zinc/92/19/46/605921946.db2.gz IIGCASPJYATKRR-UHFFFAOYSA-N -1 0 324.337 -0.205 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)ccc1=O ZINC000833951625 605922629 /nfs/dbraw/zinc/92/26/29/605922629.db2.gz VMVKQCGIFRAGEU-SECBINFHSA-N -1 0 322.321 -0.418 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000833772184 605928522 /nfs/dbraw/zinc/92/85/22/605928522.db2.gz ZNUBCFKHIGQVCW-WDEREUQCSA-N -1 0 316.379 -0.220 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@H](CC(F)F)NC(=O)[O-])CCO1 ZINC000833876128 605931286 /nfs/dbraw/zinc/93/12/86/605931286.db2.gz FPCNJSGKERRBDN-BQBZGAKWSA-N -1 0 309.269 -0.749 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NN1Cc2ccccc2C1=O ZINC000834044684 605935054 /nfs/dbraw/zinc/93/50/54/605935054.db2.gz HCSFGLOBLRGWTK-ONGXEEELSA-N -1 0 305.290 -0.213 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)CCN(C(=O)[O-])C(C)C)CCO1 ZINC000833876795 605935880 /nfs/dbraw/zinc/93/58/80/605935880.db2.gz JMGOBVLQQBOZOH-SNVBAGLBSA-N -1 0 301.343 -0.262 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)NC1CC[NH+](CCO)CC1)C1CC1 ZINC000834144890 605936811 /nfs/dbraw/zinc/93/68/11/605936811.db2.gz MSEZBEGTZTYGRD-GFCCVEGCSA-N -1 0 314.386 -0.212 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)N[C@H]1CCc2ncnn2C1)C1CC1 ZINC000834146526 605939023 /nfs/dbraw/zinc/93/90/23/605939023.db2.gz OHUUMISZGLVNBA-VHSXEESVSA-N -1 0 308.342 -0.062 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)C1CC1 ZINC000834146519 605939049 /nfs/dbraw/zinc/93/90/49/605939049.db2.gz OHUUMISZGLVNBA-NXEZZACHSA-N -1 0 308.342 -0.062 20 0 DBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)[C@@H]3CCCO3)n2)CC1 ZINC000831810964 605939676 /nfs/dbraw/zinc/93/96/76/605939676.db2.gz WDBAYSDADXWBDO-QMMMGPOBSA-N -1 0 310.314 -0.278 20 0 DBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2ccnn2CC2CC2)C1 ZINC000834061551 605941475 /nfs/dbraw/zinc/94/14/75/605941475.db2.gz DSHBSKSUKZDYLZ-UHFFFAOYSA-N -1 0 307.310 -0.290 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC000834166273 605941811 /nfs/dbraw/zinc/94/18/11/605941811.db2.gz DOOITWWKADRBQC-OPRDCNLKSA-N -1 0 324.337 -0.425 20 0 DBADRM O=C([O-])N1CCC[C@H]1CCC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000834290717 605942152 /nfs/dbraw/zinc/94/21/52/605942152.db2.gz UVNMYZGFFMHKAY-VHSXEESVSA-N -1 0 324.337 -0.328 20 0 DBADRM O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)CC2 ZINC000834289649 605942244 /nfs/dbraw/zinc/94/22/44/605942244.db2.gz NGHUEWJBKXUYDQ-VGMNWLOBSA-N -1 0 310.310 -0.672 20 0 DBADRM Cn1nc2c(c1NC(=O)C(=O)NC1CN(C(=O)[O-])C1)CCC2 ZINC000833959172 605942851 /nfs/dbraw/zinc/94/28/51/605942851.db2.gz QSSLMPHFOQNLCB-UHFFFAOYSA-N -1 0 307.310 -0.674 20 0 DBADRM COCCN(CC(=O)N[C@H]1CCN(C(C)=O)C[C@H]1C)C(=O)[O-] ZINC000833884264 605943708 /nfs/dbraw/zinc/94/37/08/605943708.db2.gz HGXQPOUUZYKMNH-PWSUYJOCSA-N -1 0 315.370 -0.014 20 0 DBADRM NS(=O)(=O)CCCOC(=O)C1(CNC(=O)[O-])CCOCC1 ZINC000833986902 605949496 /nfs/dbraw/zinc/94/94/96/605949496.db2.gz VGLRVDSTYAWKJF-UHFFFAOYSA-N -1 0 324.355 -0.727 20 0 DBADRM O=C([O-])NCC1(C(=O)OCC(=O)NC2CC2)CCOCC1 ZINC000834205895 605949692 /nfs/dbraw/zinc/94/96/92/605949692.db2.gz FIHYOSKBPYMKJS-UHFFFAOYSA-N -1 0 300.311 -0.127 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)Nc2n[nH]c(SCCO)n2)C1 ZINC000834057321 605951962 /nfs/dbraw/zinc/95/19/62/605951962.db2.gz CEAYDBLJOBDUHQ-ZCFIWIBFSA-N -1 0 317.327 -0.794 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)Nc2n[nH]c(SCCO)n2)C1 ZINC000834084152 605952236 /nfs/dbraw/zinc/95/22/36/605952236.db2.gz LIPUMZSSURZCJY-SNVBAGLBSA-N -1 0 319.318 -0.080 20 0 DBADRM O=C(CN(C(=O)[O-])C1CC1)NCCCN1CCCS1(=O)=O ZINC000833999919 605964890 /nfs/dbraw/zinc/96/48/90/605964890.db2.gz RXLAJCIYAUJWRT-UHFFFAOYSA-N -1 0 319.383 -0.329 20 0 DBADRM CC[C@@](C)(CNC(=O)[O-])C(=O)NCCCN1CCNC(=O)C1 ZINC000833837809 605965906 /nfs/dbraw/zinc/96/59/06/605965906.db2.gz ACVBJBWDXSDOAG-AWEZNQCLSA-N -1 0 314.386 -0.392 20 0 DBADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NCCCN2CCNC(=O)C2)C1 ZINC000834171940 605967382 /nfs/dbraw/zinc/96/73/82/605967382.db2.gz YLJUOZWTIATFRK-MNOVXSKESA-N -1 0 312.370 -0.639 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)N[C@H](CO)C2CCOCC2)C1 ZINC000834018013 605967627 /nfs/dbraw/zinc/96/76/27/605967627.db2.gz XJDOZINOTCGIGQ-WDEREUQCSA-N -1 0 301.343 -0.175 20 0 DBADRM O=C([O-])NCC(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000833279606 605968636 /nfs/dbraw/zinc/96/86/36/605968636.db2.gz CBOCRGGBHPMSAO-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM Cc1noc(CNC(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])n1 ZINC000833933735 605968740 /nfs/dbraw/zinc/96/87/40/605968740.db2.gz NDEIGMDCZFVNOI-VIFPVBQESA-N -1 0 312.330 -0.529 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)CN(C(=O)[O-])C1CC1)CC2 ZINC000833956959 605970486 /nfs/dbraw/zinc/97/04/86/605970486.db2.gz FPAZEJFKBJDQLT-UHFFFAOYSA-N -1 0 306.322 -0.193 20 0 DBADRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc(=O)[nH]c1=O ZINC000834094119 605971026 /nfs/dbraw/zinc/97/10/26/605971026.db2.gz MKKVBFGLFAMWBY-ZJUUUORDSA-N -1 0 322.321 -0.308 20 0 DBADRM Cn1nnnc1CCNC(=O)N1CCCC[C@H]1CNC(=O)[O-] ZINC000833960433 605972014 /nfs/dbraw/zinc/97/20/14/605972014.db2.gz KWBRJTMAOSZZPM-VIFPVBQESA-N -1 0 311.346 -0.416 20 0 DBADRM O=C([O-])NC1CCC(C(=O)N2CCN(C(=O)CO)CC2)CC1 ZINC000834163546 605972688 /nfs/dbraw/zinc/97/26/88/605972688.db2.gz KQTDYAVKZZYKLJ-UHFFFAOYSA-N -1 0 313.354 -0.524 20 0 DBADRM O=C([O-])N(CC(=O)N1CCC2(CC1)NC(=O)NC2=O)C1CC1 ZINC000834289791 605979241 /nfs/dbraw/zinc/97/92/41/605979241.db2.gz OCWIOZRQBUWGRK-UHFFFAOYSA-N -1 0 310.310 -0.671 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCCN1C(=O)[O-] ZINC000833951039 605982185 /nfs/dbraw/zinc/98/21/85/605982185.db2.gz OZRRBAQXVDILQL-UHFFFAOYSA-N -1 0 302.312 -0.587 20 0 DBADRM O=C(CN(C(=O)[O-])C1CC1)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000834000578 605985675 /nfs/dbraw/zinc/98/56/75/605985675.db2.gz XVNSXMBNSYRTHG-RMLUDKJBSA-N -1 0 324.337 -0.377 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CN(C(=O)[O-])C1CC1 ZINC000833987295 605986000 /nfs/dbraw/zinc/98/60/00/605986000.db2.gz YRWHANLNDSORLR-JTQLQIEISA-N -1 0 319.383 -0.202 20 0 DBADRM O=C([O-])NCCOCC(=O)N[C@H]1CN(c2ccccc2)C1=O ZINC000834242706 605991450 /nfs/dbraw/zinc/99/14/50/605991450.db2.gz OPEZEISQCMXKRF-NSHDSACASA-N -1 0 307.306 -0.198 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCC[C@@H](N3CCCC3=O)C2)C1 ZINC000834157653 605994791 /nfs/dbraw/zinc/99/47/91/605994791.db2.gz KLWIZWHWHUCCLK-NWDGAFQWSA-N -1 0 324.381 -0.101 20 0 DBADRM COCC1(O)CCN(CN2C[C@@H](NC(=O)[O-])CC2=O)CC1 ZINC000833881543 605996888 /nfs/dbraw/zinc/99/68/88/605996888.db2.gz FVVLGWVSRCQJGY-JTQLQIEISA-N -1 0 301.343 -0.714 20 0 DBADRM O=C([O-])N1CCCN(C(=O)C2=NN(CCO)C(=O)CC2)CC1 ZINC000834103774 605997354 /nfs/dbraw/zinc/99/73/54/605997354.db2.gz MFQGEEAOUYLDIO-UHFFFAOYSA-N -1 0 312.326 -0.831 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCN3C(=O)OCC[C@H]3C2)C1 ZINC000834156947 605997545 /nfs/dbraw/zinc/99/75/45/605997545.db2.gz DQDPBCULBCFQFK-UWVGGRQHSA-N -1 0 312.326 -0.661 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)NCCC(=O)N1CCOCC1 ZINC000834130998 606008403 /nfs/dbraw/zinc/00/84/03/606008403.db2.gz GZESFCUKZFZJTC-QMMMGPOBSA-N -1 0 323.296 -0.357 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CN2CC(=O)N(C)C2=O)CCO1 ZINC000833819613 606009236 /nfs/dbraw/zinc/00/92/36/606009236.db2.gz OHGVGVALFMOAMV-IUCAKERBSA-N -1 0 300.315 -0.805 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)[O-])CCN1Cn1nc2cnccn2c1=O ZINC000833827119 606012397 /nfs/dbraw/zinc/01/23/97/606012397.db2.gz KCNAIEQJRHIAQE-ZJUUUORDSA-N -1 0 306.326 -0.079 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)NCC(=O)N1CCOCC1)C1CC1 ZINC000834206403 606016074 /nfs/dbraw/zinc/01/60/74/606016074.db2.gz QJTXKPFRUPYKST-JTQLQIEISA-N -1 0 314.342 -0.809 20 0 DBADRM O=C([O-])N1CCC[C@H](CNC(=O)NC[C@@]2(O)CCOC2)C1 ZINC000834026514 606025273 /nfs/dbraw/zinc/02/52/73/606025273.db2.gz JQBCSIKHVBFPAO-MFKMUULPSA-N -1 0 301.343 -0.173 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NC[C@@]1(O)CCOC1 ZINC000834210182 606027757 /nfs/dbraw/zinc/02/77/57/606027757.db2.gz HZPKZBMEDAQQOQ-CWSCBRNRSA-N -1 0 301.343 -0.127 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NCC(=O)N1CCOCC1 ZINC000834021359 606027972 /nfs/dbraw/zinc/02/79/72/606027972.db2.gz YAFIEWRLEFKJSG-QMMMGPOBSA-N -1 0 303.340 -0.986 20 0 DBADRM C[C@@H]1[C@@H](C)N(C(=O)[O-])CCN1Cc1cc(=O)n(C)c(=O)n1C ZINC000833826329 606038229 /nfs/dbraw/zinc/03/82/29/606038229.db2.gz GNUURBHIWLNYBN-NXEZZACHSA-N -1 0 310.354 -0.343 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)[O-])CCN1Cc1cc(=O)n(C)c(=O)n1C ZINC000833826332 606038878 /nfs/dbraw/zinc/03/88/78/606038878.db2.gz GNUURBHIWLNYBN-ZJUUUORDSA-N -1 0 310.354 -0.343 20 0 DBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000834240102 606056009 /nfs/dbraw/zinc/05/60/09/606056009.db2.gz ITDGTFQBSILNQJ-GHMZBOCLSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cn1 ZINC000834275990 606055994 /nfs/dbraw/zinc/05/59/94/606055994.db2.gz UCOBHABERKMAGD-QMMMGPOBSA-N -1 0 319.277 -0.414 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)N[C@H]2CCCS(=O)(=O)C2)cn1 ZINC000834280474 606058417 /nfs/dbraw/zinc/05/84/17/606058417.db2.gz SIPACRFSLNLCKP-ZETCQYMHSA-N -1 0 314.323 -0.127 20 0 DBADRM O=C([O-])NC[C@H]1CCN(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000834226906 606059996 /nfs/dbraw/zinc/05/99/96/606059996.db2.gz XGDBJIMQGLKVEE-SNVBAGLBSA-N -1 0 314.342 -0.856 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)NCCCN2CCNC(=O)C2)cn1 ZINC000834280736 606061256 /nfs/dbraw/zinc/06/12/56/606061256.db2.gz ULFPRRGYFXVBBF-UHFFFAOYSA-N -1 0 322.325 -0.882 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)c2cnc(NC(=O)[O-])cn2)CCO1 ZINC000833875556 606064363 /nfs/dbraw/zinc/06/43/63/606064363.db2.gz WAJKPTGAJXAQBT-QMMMGPOBSA-N -1 0 309.282 -0.847 20 0 DBADRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCCOCC(N)=O ZINC000833824842 606070635 /nfs/dbraw/zinc/07/06/35/606070635.db2.gz JAMAWCLLHHNIRS-RNCFNFMXSA-N -1 0 301.343 -0.179 20 0 DBADRM O=C([O-])N1CC[C@H](CNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000834031615 606072860 /nfs/dbraw/zinc/07/28/60/606072860.db2.gz YPJVGZPZRYOXIQ-BDAKNGLRSA-N -1 0 305.356 -0.527 20 0 DBADRM O=C([O-])NC1(CNC(=O)NCCN2CCOCC2)CCC1 ZINC000834154920 606073700 /nfs/dbraw/zinc/07/37/00/606073700.db2.gz OUOXYSJIRSQIQM-UHFFFAOYSA-N -1 0 300.359 -0.192 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000834133336 606074941 /nfs/dbraw/zinc/07/49/41/606074941.db2.gz OWMHCJDRRJRCEZ-RNFRBKRXSA-N -1 0 314.310 -0.029 20 0 DBADRM O=C([O-])NC1(C(=O)NCC(=O)N2CCOCC2)CCCCC1 ZINC000834150411 606076472 /nfs/dbraw/zinc/07/64/72/606076472.db2.gz CSXYLEVNUIDGIH-UHFFFAOYSA-N -1 0 313.354 -0.068 20 0 DBADRM O=C(COC(=O)[C@@H]1CCCN(C(=O)[O-])C1)NC(=O)NC1CC1 ZINC000834007264 606078267 /nfs/dbraw/zinc/07/82/67/606078267.db2.gz RGSUWEGGITXZBP-MRVPVSSYSA-N -1 0 313.310 -0.092 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)CCOC1CN(C(=O)[O-])C1)CC2 ZINC000833916537 606083939 /nfs/dbraw/zinc/08/39/39/606083939.db2.gz XNASLUPLJUCELM-JTQLQIEISA-N -1 0 323.353 -0.214 20 0 DBADRM O=C([O-])NCCCNC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000834238108 606086070 /nfs/dbraw/zinc/08/60/70/606086070.db2.gz OKVXTDZXMYUJEH-SNVBAGLBSA-N -1 0 317.342 -0.135 20 0 DBADRM NC(=O)[C@H]1CCC[C@@H](NC(=O)CCOC2CN(C(=O)[O-])C2)C1 ZINC000833979966 606090602 /nfs/dbraw/zinc/09/06/02/606090602.db2.gz GPXHNFSGVNQILL-VHSXEESVSA-N -1 0 313.354 -0.084 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000834184503 606097590 /nfs/dbraw/zinc/09/75/90/606097590.db2.gz HXWKGIDOOMRMFM-SNVBAGLBSA-N -1 0 319.383 -0.137 20 0 DBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3ccnnc3)n2)CC1 ZINC000834057924 606097638 /nfs/dbraw/zinc/09/76/38/606097638.db2.gz IYVUNLRGJKHKAK-UHFFFAOYSA-N -1 0 318.297 -0.353 20 0 DBADRM CNC(=O)[C@@H]1CCCCN1C(=O)CCOC1CN(C(=O)[O-])C1 ZINC000833876304 606110612 /nfs/dbraw/zinc/11/06/12/606110612.db2.gz FZAVVMFVGVEJKW-NSHDSACASA-N -1 0 313.354 -0.118 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821165822 606180173 /nfs/dbraw/zinc/18/01/73/606180173.db2.gz WPDRUQIRYUUIGN-UHFFFAOYSA-N -1 0 316.368 -0.146 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)NCc1n[nH]c(=O)[n-]1 ZINC000823043880 606298178 /nfs/dbraw/zinc/29/81/78/606298178.db2.gz KYRLHMHDQCEYSS-UHFFFAOYSA-N -1 0 316.281 -0.614 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCC2OCCCO2)c1=O ZINC000821565227 606332711 /nfs/dbraw/zinc/33/27/11/606332711.db2.gz JTZJMGPLMVFNLD-UHFFFAOYSA-N -1 0 322.325 -0.637 20 0 DBADRM COCCO[N-]C(=O)COc1ccc(-c2nn[nH]n2)cc1OC ZINC000821693150 606367561 /nfs/dbraw/zinc/36/75/61/606367561.db2.gz UIPGFRRZCVDJSC-UHFFFAOYSA-N -1 0 323.309 -0.052 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2CCCSC2)n(C)c1=O ZINC000822600403 606401784 /nfs/dbraw/zinc/40/17/84/606401784.db2.gz NJJYKSOEWGJDSD-SSDOTTSWSA-N -1 0 323.382 -0.428 20 0 DBADRM CC(C)CS(=O)(=O)[N-]C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000820102704 606406832 /nfs/dbraw/zinc/40/68/32/606406832.db2.gz HOZSLMDBTFHMCU-UHFFFAOYSA-N -1 0 312.355 -0.079 20 0 DBADRM Cn1cc(-c2nn[nH]n2)cc1C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000822645761 606409326 /nfs/dbraw/zinc/40/93/26/606409326.db2.gz NSMSOVVRDYTBJN-UHFFFAOYSA-N -1 0 310.339 -0.325 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCn2cccc2)n(C)c1=O ZINC000822600670 606476133 /nfs/dbraw/zinc/47/61/33/606476133.db2.gz PCNULHGIPIKHDE-UHFFFAOYSA-N -1 0 316.325 -0.822 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)cn1)C1CC1 ZINC000821640086 606522130 /nfs/dbraw/zinc/52/21/30/606522130.db2.gz AJHGIWPRDSXYTK-JTQLQIEISA-N -1 0 302.294 -0.057 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1 ZINC000822015519 606710811 /nfs/dbraw/zinc/71/08/11/606710811.db2.gz LPVDLLBYKCCBMQ-UHFFFAOYSA-N -1 0 309.315 -0.567 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2CCCOC2)c1=O ZINC000821565463 606768764 /nfs/dbraw/zinc/76/87/64/606768764.db2.gz UIXZSIGORWEKBG-VIFPVBQESA-N -1 0 306.326 -0.363 20 0 DBADRM CCC[C@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1nnn[n-]1 ZINC000821020660 606912231 /nfs/dbraw/zinc/91/22/31/606912231.db2.gz GGQYHBGSGPOZKC-ZETCQYMHSA-N -1 0 302.302 -0.021 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCOc2ccccc21 ZINC000823126964 607207667 /nfs/dbraw/zinc/20/76/67/607207667.db2.gz OZCGXYMCPZWFRR-UHFFFAOYSA-N -1 0 312.293 -0.116 20 0 DBADRM CN(CCc1ccncc1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821607542 607211398 /nfs/dbraw/zinc/21/13/98/607211398.db2.gz SXNGCSATADBTQA-UHFFFAOYSA-N -1 0 313.325 -0.446 20 0 DBADRM CC[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC000820988323 607216175 /nfs/dbraw/zinc/21/61/75/607216175.db2.gz FOMRDTSGFLWAHM-IUCAKERBSA-N -1 0 306.330 -0.516 20 0 DBADRM CC(C)C[C@H]1COCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820067528 607216651 /nfs/dbraw/zinc/21/66/51/607216651.db2.gz JUVOARGJNFDFMN-JTQLQIEISA-N -1 0 320.357 -0.268 20 0 DBADRM CC1(C)CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCO1 ZINC000820601654 607217203 /nfs/dbraw/zinc/21/72/03/607217203.db2.gz QVDZCQPQDPQSGF-UHFFFAOYSA-N -1 0 306.330 -0.514 20 0 DBADRM C[C@H]1SCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@@H]1C ZINC000820819300 607218199 /nfs/dbraw/zinc/21/81/99/607218199.db2.gz HEMWKCCKOVANFY-HTQZYQBOSA-N -1 0 308.371 -0.189 20 0 DBADRM CC1(C)[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@H]2CCO[C@@H]21 ZINC000820583386 607218830 /nfs/dbraw/zinc/21/88/30/607218830.db2.gz CTJGEANXZFUXOU-QNSHHTMESA-N -1 0 318.341 -0.612 20 0 DBADRM COc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)nc1 ZINC000821831844 607219786 /nfs/dbraw/zinc/21/97/86/607219786.db2.gz PDCASXRQVRFRLZ-UHFFFAOYSA-N -1 0 301.270 -0.500 20 0 DBADRM CS[C@@H]1CC[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821950578 607220177 /nfs/dbraw/zinc/22/01/77/607220177.db2.gz PCWULIODPKOYHY-HTQZYQBOSA-N -1 0 308.371 -0.142 20 0 DBADRM C[C@@H](Cc1ccncc1)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820298818 607221082 /nfs/dbraw/zinc/22/10/82/607221082.db2.gz AUAZLWZDDMLTSH-VIFPVBQESA-N -1 0 313.325 -0.399 20 0 DBADRM C[C@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccncc1 ZINC000820260485 607221160 /nfs/dbraw/zinc/22/11/60/607221160.db2.gz HENBTSBDOWQMPQ-SECBINFHSA-N -1 0 313.325 -0.227 20 0 DBADRM CO[C@H]1C[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1(C)C ZINC000821677767 607222137 /nfs/dbraw/zinc/22/21/37/607222137.db2.gz DUOPMKAPRNUSDP-SFYZADRCSA-N -1 0 306.330 -0.612 20 0 DBADRM CN(CCOCC1CC1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821603923 607223024 /nfs/dbraw/zinc/22/30/24/607223024.db2.gz VIHQKFFQPMWOEK-UHFFFAOYSA-N -1 0 306.330 -0.657 20 0 DBADRM CCC(CC)(CCO)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820887759 607224367 /nfs/dbraw/zinc/22/43/67/607224367.db2.gz PMKFNEUBZSNEJC-UHFFFAOYSA-N -1 0 322.373 -0.237 20 0 DBADRM CSC[C@H]1CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821962002 607224840 /nfs/dbraw/zinc/22/48/40/607224840.db2.gz NKPRKBMSSVEPSD-MRVPVSSYSA-N -1 0 308.371 -0.188 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCc1cccc(O)c1 ZINC000823131043 607232136 /nfs/dbraw/zinc/23/21/36/607232136.db2.gz BGNRLYUYPNNKHM-UHFFFAOYSA-N -1 0 314.309 -0.477 20 0 DBADRM COc1ccc(O)c(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000821839734 607234323 /nfs/dbraw/zinc/23/43/23/607234323.db2.gz XMKMMDFCODHNIR-UHFFFAOYSA-N -1 0 316.281 -0.189 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCCC[C@H]1CO ZINC000826425599 607993894 /nfs/dbraw/zinc/99/38/94/607993894.db2.gz KQDGRRSKGWLTLO-IUCAKERBSA-N -1 0 306.330 -0.875 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N(C)CC(=O)[O-] ZINC000826279146 608010279 /nfs/dbraw/zinc/01/02/79/608010279.db2.gz HCCGZTODKAKWEQ-UHFFFAOYSA-N -1 0 311.323 -0.120 20 0 DBADRM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NCCC(=O)[O-] ZINC000826255917 608010534 /nfs/dbraw/zinc/01/05/34/608010534.db2.gz OPZAOKNMRDLJOM-UHFFFAOYSA-N -1 0 311.323 -0.072 20 0 DBADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824052280 608011180 /nfs/dbraw/zinc/01/11/80/608011180.db2.gz MPOJCPDCORQHFY-SSDOTTSWSA-N -1 0 311.323 -0.040 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825914347 608011185 /nfs/dbraw/zinc/01/11/85/608011185.db2.gz ARQBQZIKQLWKEB-UHFFFAOYSA-N -1 0 311.323 -0.038 20 0 DBADRM Cc1cccc(S(=O)(=O)N[C@H](C)C(=O)[O-])c1-c1nn[nH]n1 ZINC000826301693 608011605 /nfs/dbraw/zinc/01/16/05/608011605.db2.gz MMLURJKYJCDMIO-SSDOTTSWSA-N -1 0 311.323 -0.073 20 0 DBADRM C[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)c1ccc[nH]1 ZINC000824650568 608016963 /nfs/dbraw/zinc/01/69/63/608016963.db2.gz RWDPOMQUZBOIMA-ZETCQYMHSA-N -1 0 316.325 -0.235 20 0 DBADRM CCn1cc(-c2nn[n-]n2)c(=O)n(CCn2ccnc2C)c1=O ZINC000825796362 608090998 /nfs/dbraw/zinc/09/09/98/608090998.db2.gz DJYVEMIFIIEESP-UHFFFAOYSA-N -1 0 316.325 -0.585 20 0 DBADRM Cc1nc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)sc1C ZINC000826327152 608095900 /nfs/dbraw/zinc/09/59/00/608095900.db2.gz UXMSJLCBOZESFL-UHFFFAOYSA-N -1 0 319.350 -0.151 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CCCOC(C)(C)C)c1=O ZINC000826356504 608096401 /nfs/dbraw/zinc/09/64/01/608096401.db2.gz TZZXGVIYFFZCNY-UHFFFAOYSA-N -1 0 308.342 -0.068 20 0 DBADRM CC(C)COC(=O)[C@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824266359 608164322 /nfs/dbraw/zinc/16/43/22/608164322.db2.gz JKSWXUDRXSJXFL-QMMMGPOBSA-N -1 0 322.329 -0.838 20 0 DBADRM CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)[N-]OCC(N)=O ZINC000824173355 608279817 /nfs/dbraw/zinc/27/98/17/608279817.db2.gz XQRREIITVYWTOG-UHFFFAOYSA-N -1 0 320.309 -0.443 20 0 DBADRM CN(C(=O)Cc1[nH]c(O)nc1O)c1cccc(-c2nnn[n-]2)c1 ZINC000825820649 608299616 /nfs/dbraw/zinc/29/96/16/608299616.db2.gz NYTJXJQUPVYURX-VIFPVBQESA-N -1 0 315.293 -0.572 20 0 DBADRM COc1n[nH]c([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)n1 ZINC000826221738 608871822 /nfs/dbraw/zinc/87/18/22/608871822.db2.gz SLJCNFLOKZDAAW-UHFFFAOYSA-N -1 0 322.310 -0.206 20 0 DBADRM C[C@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@H]1F ZINC000824961617 609320452 /nfs/dbraw/zinc/32/04/52/609320452.db2.gz DUFNQVDIRMHJRE-JGVFFNPUSA-N -1 0 323.332 -0.552 20 0 DBADRM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825908832 609403639 /nfs/dbraw/zinc/40/36/39/609403639.db2.gz MVMQKNSOUCQYHL-UWVGGRQHSA-N -1 0 320.357 -0.532 20 0 DBADRM C[C@@H]1OCC[C@@]1(C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825012614 609593530 /nfs/dbraw/zinc/59/35/30/609593530.db2.gz KGIKUSUUEQQFKI-WPPNPWJKSA-N -1 0 321.341 -0.757 20 0 DBADRM N#Cc1cccc(NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000321355131 970763835 /nfs/dbraw/zinc/76/38/35/970763835.db2.gz AQYKNADRDWHYDF-LBPRGKRZSA-N -1 0 316.317 -0.228 20 0 DBADRM CN(C[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1CCC1 ZINC000977236514 665449908 /nfs/dbraw/zinc/44/99/08/665449908.db2.gz APTWBWKDQAIMEY-SECBINFHSA-N -1 0 321.337 -0.244 20 0 DBADRM CC(=O)N(C)C[C@H]1CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000977231664 665450839 /nfs/dbraw/zinc/45/08/39/665450839.db2.gz DNPRIDVEUBXCFG-SNVBAGLBSA-N -1 0 318.337 -0.850 20 0 DBADRM CC(=O)N(C)C[C@@H]1CCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC000977246657 665454464 /nfs/dbraw/zinc/45/44/64/665454464.db2.gz LHDOPQFQDZNVQS-VIFPVBQESA-N -1 0 309.326 -0.705 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1CCC1 ZINC000977265911 665455042 /nfs/dbraw/zinc/45/50/42/665455042.db2.gz WQIXBYYBCXJPFJ-JTQLQIEISA-N -1 0 323.353 -0.451 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1ncc[nH]1 ZINC000977383425 665463899 /nfs/dbraw/zinc/46/38/99/665463899.db2.gz AABRJYWTCCBUMI-SECBINFHSA-N -1 0 319.369 -0.197 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001027524911 665471247 /nfs/dbraw/zinc/47/12/47/665471247.db2.gz SKHAVTRUYBORFH-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C[C@H]1CCN1C(=O)CC1CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978068593 665516856 /nfs/dbraw/zinc/51/68/56/665516856.db2.gz FJJLYTFZDHLEOL-SECBINFHSA-N -1 0 321.337 -0.244 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978071006 665516927 /nfs/dbraw/zinc/51/69/27/665516927.db2.gz KAKRQZDOPAWBQK-USYJTPIQSA-N -1 0 321.337 -0.078 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978071001 665517031 /nfs/dbraw/zinc/51/70/31/665517031.db2.gz KAKRQZDOPAWBQK-OTOXVQDCSA-N -1 0 321.337 -0.078 20 0 DBADRM O=C(N[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1)C(F)F ZINC001009807467 665525020 /nfs/dbraw/zinc/52/50/20/665525020.db2.gz FHDGPRXVCYJHQK-QMMMGPOBSA-N -1 0 311.292 -0.022 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001027614357 665534016 /nfs/dbraw/zinc/53/40/16/665534016.db2.gz YBMAWEOHTLWWGY-SECBINFHSA-N -1 0 320.357 -0.625 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)N(CCOC)CC(=O)[O-] ZINC001593461783 953375333 /nfs/dbraw/zinc/37/53/33/953375333.db2.gz YNSHWIKKZQPTEX-UHFFFAOYSA-N -1 0 316.401 -0.228 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001027625825 665540046 /nfs/dbraw/zinc/54/00/46/665540046.db2.gz XEYCEVOOAVUWBT-QMMMGPOBSA-N -1 0 306.330 -0.635 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](CNC(=O)C2CC2)C1 ZINC000978491324 665540365 /nfs/dbraw/zinc/54/03/65/665540365.db2.gz AAIGUIKXKAKCNS-OTSSQURYSA-N -1 0 309.326 -0.890 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000978554175 665543094 /nfs/dbraw/zinc/54/30/94/665543094.db2.gz QXGCOIIHRCTCLU-MAUMQABQSA-N -1 0 321.337 -0.437 20 0 DBADRM Cc1n[nH]cc1C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000978572168 665544098 /nfs/dbraw/zinc/54/40/98/665544098.db2.gz YTPFEJRZRIXHCR-RTCCRHLQSA-N -1 0 317.353 -0.350 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001027655809 665559542 /nfs/dbraw/zinc/55/95/42/665559542.db2.gz AZYYGHGMBHNHEG-UWVGGRQHSA-N -1 0 322.369 -0.788 20 0 DBADRM CCC(=O)N1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001009887167 665565053 /nfs/dbraw/zinc/56/50/53/665565053.db2.gz FZYAQKSAEMBLFA-SFYZADRCSA-N -1 0 309.326 -0.340 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ccncn1 ZINC000978873521 665577646 /nfs/dbraw/zinc/57/76/46/665577646.db2.gz XXDSEUNBZQZISX-OWUUHHOZSA-N -1 0 315.337 -0.592 20 0 DBADRM Cc1nonc1C(=O)N1CCC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001027702600 665585499 /nfs/dbraw/zinc/58/54/99/665585499.db2.gz HXEOZGNBPGFLJM-VIFPVBQESA-N -1 0 321.341 -0.062 20 0 DBADRM O=C(NC[C@H]1C[C@@H](NC(=O)C(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC000979060571 665597443 /nfs/dbraw/zinc/59/74/43/665597443.db2.gz BMCGYANUWDIKAV-SYDPRGILSA-N -1 0 317.252 -0.828 20 0 DBADRM C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CN(C(=O)C2(C)CC2)CCO1 ZINC000979292638 665627475 /nfs/dbraw/zinc/62/74/75/665627475.db2.gz FXPBVWWVQQBLFV-MNOVXSKESA-N -1 0 323.397 -0.386 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](CNC(=O)C2CC2)C1 ZINC000979372409 665643558 /nfs/dbraw/zinc/64/35/58/665643558.db2.gz AAIGUIKXKAKCNS-XWEPSHTISA-N -1 0 309.326 -0.890 20 0 DBADRM CC(=O)NC[C@H]1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000979386131 665647148 /nfs/dbraw/zinc/64/71/48/665647148.db2.gz QJXONCVLPGFFSA-MGCOHNPYSA-N -1 0 303.322 -0.333 20 0 DBADRM C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027795677 665651722 /nfs/dbraw/zinc/65/17/22/665651722.db2.gz YNCQVDYBFUESKX-MNOVXSKESA-N -1 0 308.386 -0.315 20 0 DBADRM Cc1ncc(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)[nH]1 ZINC001027795252 665652047 /nfs/dbraw/zinc/65/20/47/665652047.db2.gz RSNFFFFJLRDKBL-SECBINFHSA-N -1 0 305.342 -0.064 20 0 DBADRM Nc1nccnc1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027799455 665654895 /nfs/dbraw/zinc/65/48/95/665654895.db2.gz CYDCVDOCUMWPJL-QMMMGPOBSA-N -1 0 318.341 -0.723 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3cnc([O-])n(C)c3=O)[C@H]2C1 ZINC000979558843 665668966 /nfs/dbraw/zinc/66/89/66/665668966.db2.gz HWJUVNJGRQZCJQ-DLOVCJGASA-N -1 0 320.349 -0.527 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000979560785 665670485 /nfs/dbraw/zinc/67/04/85/665670485.db2.gz MAEKSTXRZRYPNG-CIUDSAMLSA-N -1 0 307.310 -0.731 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2Cc2nnnn2C)c1[O-] ZINC001027829822 665681579 /nfs/dbraw/zinc/68/15/79/665681579.db2.gz JULNBTZFGNKCIV-VIFPVBQESA-N -1 0 320.357 -0.658 20 0 DBADRM Cn1ncc(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)c1N ZINC001027837502 665689265 /nfs/dbraw/zinc/68/92/65/665689265.db2.gz WXNVGQAARFGLFL-MRVPVSSYSA-N -1 0 320.357 -0.780 20 0 DBADRM Cn1oc(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)cc1=O ZINC001027850663 665697128 /nfs/dbraw/zinc/69/71/28/665697128.db2.gz WNLMMLXPNORMOY-MRVPVSSYSA-N -1 0 322.325 -0.804 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001010063818 665703344 /nfs/dbraw/zinc/70/33/44/665703344.db2.gz HJLCUWHFKSGYKR-BDAKNGLRSA-N -1 0 309.326 -0.984 20 0 DBADRM CC(C)=CC(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001010095781 665730716 /nfs/dbraw/zinc/73/07/16/665730716.db2.gz ZRLHYFWONNKGOA-UHFFFAOYSA-N -1 0 320.349 -0.264 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000980313596 665747665 /nfs/dbraw/zinc/74/76/65/665747665.db2.gz STXJFWIYSOKZHG-SNVBAGLBSA-N -1 0 318.337 -0.043 20 0 DBADRM C[C@@H]1C[C@@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)c1cnn(C)c1 ZINC000980361090 665752481 /nfs/dbraw/zinc/75/24/81/665752481.db2.gz WDDADFQGJZYRPC-ZJUUUORDSA-N -1 0 319.369 -0.116 20 0 DBADRM NS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000314670628 665764519 /nfs/dbraw/zinc/76/45/19/665764519.db2.gz PVGYAMLIILBLMP-VHSXEESVSA-N -1 0 319.383 -0.775 20 0 DBADRM Cn1[nH]c(CN2CCCN(C(=O)[C@H]3CCCO3)CC2)nc1=O ZINC000980668823 665785459 /nfs/dbraw/zinc/78/54/59/665785459.db2.gz DULLYICTXUZIHM-LLVKDONJSA-N -1 0 309.370 -0.678 20 0 DBADRM Cc1c(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)cnn1C ZINC000980711762 665790655 /nfs/dbraw/zinc/79/06/55/665790655.db2.gz OHWBEUCHRWUFAC-UHFFFAOYSA-N -1 0 319.369 -0.100 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)C2CC2)C1 ZINC000980754982 665795587 /nfs/dbraw/zinc/79/55/87/665795587.db2.gz BZJQTFSMPLGJSE-WCBMZHEXSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@@H]1C[C@@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)Cc1nnc[nH]1 ZINC000980760042 665796147 /nfs/dbraw/zinc/79/61/47/665796147.db2.gz PHNPHLKLHCNDNS-BDAKNGLRSA-N -1 0 320.357 -0.802 20 0 DBADRM O=C(N[C@@H]1CC[C@H](CNC(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000980755191 665796221 /nfs/dbraw/zinc/79/62/21/665796221.db2.gz MYLZEMMJMHXHMC-IONNQARKSA-N -1 0 321.337 -0.293 20 0 DBADRM Cc1cnn(CC(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)c1 ZINC000980792114 665798992 /nfs/dbraw/zinc/79/89/92/665798992.db2.gz BRFIDMNCUSRIIO-UHFFFAOYSA-N -1 0 319.369 -0.250 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980819123 665801904 /nfs/dbraw/zinc/80/19/04/665801904.db2.gz PBEOYPOWCOPKRN-NXEZZACHSA-N -1 0 323.353 -0.646 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1ccon1)c1n[nH]c(=O)[n-]c1=O ZINC001027999812 665807729 /nfs/dbraw/zinc/80/77/29/665807729.db2.gz QGRWONOPCUKCAT-VIFPVBQESA-N -1 0 320.309 -0.335 20 0 DBADRM O=C(c1cncnc1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981031341 665817066 /nfs/dbraw/zinc/81/70/66/665817066.db2.gz JJXRLJCCEUKBAJ-UHFFFAOYSA-N -1 0 303.326 -0.352 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)CO1 ZINC000981491736 665853276 /nfs/dbraw/zinc/85/32/76/665853276.db2.gz UIRAHDQIQWWLFK-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM Cn1cc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)[nH]c1=O ZINC000981879965 665887714 /nfs/dbraw/zinc/88/77/14/665887714.db2.gz OHTBNYHWPRYDIY-UHFFFAOYSA-N -1 0 321.341 -0.703 20 0 DBADRM C[C@@H]1CC[C@@H](CN2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)O1 ZINC000949111212 665890425 /nfs/dbraw/zinc/89/04/25/665890425.db2.gz IRDCBMYTZMOZFA-ZJUUUORDSA-N -1 0 323.353 -0.392 20 0 DBADRM Cc1ncc(CN2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)o1 ZINC000949111114 665890574 /nfs/dbraw/zinc/89/05/74/665890574.db2.gz FZMGXOGWGMTOEP-UHFFFAOYSA-N -1 0 320.309 -0.463 20 0 DBADRM O=C(c1ccnnc1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000982021070 665905358 /nfs/dbraw/zinc/90/53/58/665905358.db2.gz NJZQMNGRDGIFHF-UHFFFAOYSA-N -1 0 303.326 -0.352 20 0 DBADRM CN(C(=O)C1(C)CC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954473320 665905597 /nfs/dbraw/zinc/90/55/97/665905597.db2.gz SGTOCDOKQKAFJT-UHFFFAOYSA-N -1 0 307.310 -0.634 20 0 DBADRM Cc1c[nH]c(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000982139716 665916871 /nfs/dbraw/zinc/91/68/71/665916871.db2.gz ZOWGWCVQIYKCQJ-UHFFFAOYSA-N -1 0 305.342 -0.110 20 0 DBADRM CCN(CC(=O)N(C)C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000036199343 665924122 /nfs/dbraw/zinc/92/41/22/665924122.db2.gz VTBMMLYRGQKNHM-UHFFFAOYSA-N -1 0 317.367 -0.178 20 0 DBADRM Cc1cnoc1C(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[nH]1 ZINC001028237963 665937358 /nfs/dbraw/zinc/93/73/58/665937358.db2.gz DLJFVHPOXBPLTA-JTQLQIEISA-N -1 0 320.353 -0.201 20 0 DBADRM CC[C@@H](C)C(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001010401077 665935635 /nfs/dbraw/zinc/93/56/35/665935635.db2.gz KLZQHJIXLLIIBX-SNVBAGLBSA-N -1 0 322.365 -0.184 20 0 DBADRM CC(=O)N1CC[C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000982316972 665957564 /nfs/dbraw/zinc/95/75/64/665957564.db2.gz RRVIGPBBHMWAJX-JTQLQIEISA-N -1 0 303.322 -0.379 20 0 DBADRM O=C(NC[C@H]1CCN(C(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000982323860 665958858 /nfs/dbraw/zinc/95/88/58/665958858.db2.gz AIMGXSISXZPLIO-SSDOTTSWSA-N -1 0 307.310 -0.729 20 0 DBADRM O=C(NC[C@@H]1CCN(C(=O)C(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC000982322824 665959389 /nfs/dbraw/zinc/95/93/89/665959389.db2.gz QIYSKXBOSCGSDV-YFKPBYRVSA-N -1 0 317.252 -0.874 20 0 DBADRM NC(=O)CN1CCC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001028261375 665960696 /nfs/dbraw/zinc/96/06/96/665960696.db2.gz WTKXNRKJRHWNJA-MRVPVSSYSA-N -1 0 319.321 -0.392 20 0 DBADRM CN(C)[C@@]1(C[N-]S(=O)(=O)N=S(C)(C)=O)CCSC1 ZINC000866915764 671465038 /nfs/dbraw/zinc/46/50/38/671465038.db2.gz KZMOQIROGNVNJA-SECBINFHSA-N -1 0 315.486 -0.014 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2Cc2cnn(C)n2)c1[O-] ZINC001038165759 663791145 /nfs/dbraw/zinc/79/11/45/663791145.db2.gz TYNAHLYNQQVAAM-JTQLQIEISA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001010458546 663808055 /nfs/dbraw/zinc/80/80/55/663808055.db2.gz XQPHCXNYWCHLNH-UHFFFAOYSA-N -1 0 316.321 -0.188 20 0 DBADRM C[C@H](NC(=O)c1cnsn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969347387 663819125 /nfs/dbraw/zinc/81/91/25/663819125.db2.gz VRWUXWCMHNREAV-LURJTMIESA-N -1 0 309.355 -0.388 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3cnsn3)CC2)c1[O-] ZINC001010480907 663823489 /nfs/dbraw/zinc/82/34/89/663823489.db2.gz GKPRVIBGBQNWCF-UHFFFAOYSA-N -1 0 322.350 -0.127 20 0 DBADRM Cc1ncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC001020511163 663827476 /nfs/dbraw/zinc/82/74/76/663827476.db2.gz PHYDAQCZKOEELW-KYZUINATSA-N -1 0 305.342 -0.397 20 0 DBADRM Cc1nn(C)cc1C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969417674 663828305 /nfs/dbraw/zinc/82/83/05/663828305.db2.gz JJRYBOQJFBPGHJ-QMMMGPOBSA-N -1 0 319.369 -0.197 20 0 DBADRM CC[C@H](C(N)=O)N1CC([C@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000969500063 663838798 /nfs/dbraw/zinc/83/87/98/663838798.db2.gz GIHWJTIVSRCWCG-OIBJUYFYSA-N -1 0 309.370 -0.262 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN([C@H]3CCN(C)C3=O)C2)c1[O-] ZINC000969500052 663838949 /nfs/dbraw/zinc/83/89/49/663838949.db2.gz GENICXZRNOVZCU-KWQFWETISA-N -1 0 321.381 -0.295 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(Cc3nncn3C)C2)c1[O-] ZINC000969505811 663839094 /nfs/dbraw/zinc/83/90/94/663839094.db2.gz GXSFISFCIPSZOY-MRVPVSSYSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(Cc3cnnn3C)C2)c1[O-] ZINC000969505896 663839108 /nfs/dbraw/zinc/83/91/08/663839108.db2.gz IQHLXWYRZUJZJU-QMMMGPOBSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1cc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)ncn1 ZINC000969509301 663839376 /nfs/dbraw/zinc/83/93/76/663839376.db2.gz TVWPGNNFPBMRBR-VIFPVBQESA-N -1 0 317.353 -0.141 20 0 DBADRM Cc1cc(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cnn1 ZINC000969569513 663845472 /nfs/dbraw/zinc/84/54/72/663845472.db2.gz QDOZHGQNLHZBBT-SECBINFHSA-N -1 0 317.353 -0.141 20 0 DBADRM C[C@H](NC(=O)c1cc(=O)n(C)o1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969575277 663846398 /nfs/dbraw/zinc/84/63/98/663846398.db2.gz VCEJMKDWVAJMDR-ZETCQYMHSA-N -1 0 322.325 -0.948 20 0 DBADRM Cc1ccnc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000969588263 663847985 /nfs/dbraw/zinc/84/79/85/663847985.db2.gz KGXYKONVCXKQBX-VIFPVBQESA-N -1 0 317.353 -0.141 20 0 DBADRM CCn1ncc(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000969624827 663851506 /nfs/dbraw/zinc/85/15/06/663851506.db2.gz NQGWOLMKSJJSCZ-MRVPVSSYSA-N -1 0 320.357 -0.628 20 0 DBADRM C[C@@H](NC(=O)[C@]12C[C@H]1COC2)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000969714796 663859036 /nfs/dbraw/zinc/85/90/36/663859036.db2.gz ULCPVKRFSPVCPU-VPJDZLOFSA-N -1 0 321.381 -0.919 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)C2)c1[O-] ZINC001010547798 663877355 /nfs/dbraw/zinc/87/73/55/663877355.db2.gz RINLQRXGVPCCGV-NSHDSACASA-N -1 0 321.381 -0.150 20 0 DBADRM CC(=O)N1CC[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)[C@@H](C)C1 ZINC001020645669 663883039 /nfs/dbraw/zinc/88/30/39/663883039.db2.gz PVPBLBJNSBIZQW-GXSJLCMTSA-N -1 0 322.365 -0.280 20 0 DBADRM C[C@@H](NC(=O)c1cncn1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970075878 663899428 /nfs/dbraw/zinc/89/94/28/663899428.db2.gz IQDLUSAWMUTSHT-MRVPVSSYSA-N -1 0 305.342 -0.506 20 0 DBADRM CC(=O)NC[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001020778538 663904141 /nfs/dbraw/zinc/90/41/41/663904141.db2.gz IMRYYFMJHOURMQ-PSASIEDQSA-N -1 0 311.342 -0.690 20 0 DBADRM CCOC(=O)N1CC[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000840988872 663924128 /nfs/dbraw/zinc/92/41/28/663924128.db2.gz PHRKIVFHHGWIFJ-VHSXEESVSA-N -1 0 315.326 -0.288 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3cn(C)nn3)C2)c1[O-] ZINC001010625182 663938859 /nfs/dbraw/zinc/93/88/59/663938859.db2.gz GOCMKCUKDQOMPN-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970254812 663952502 /nfs/dbraw/zinc/95/25/02/663952502.db2.gz CVXMUDXLXKXJLP-LURJTMIESA-N -1 0 306.330 -0.813 20 0 DBADRM C[C@H](NC(=O)c1csc(=O)[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970309134 663967246 /nfs/dbraw/zinc/96/72/46/663967246.db2.gz JBCVSBNCQXCYBV-LURJTMIESA-N -1 0 324.366 -0.077 20 0 DBADRM C[C@H](NC(=O)c1n[nH]cc1F)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970380724 663980108 /nfs/dbraw/zinc/98/01/08/663980108.db2.gz ONNAJWULQFXOSW-LURJTMIESA-N -1 0 309.305 -0.377 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1COCCO1 ZINC001006815794 663981398 /nfs/dbraw/zinc/98/13/98/663981398.db2.gz WMXRRAJNZSPJKC-UWVGGRQHSA-N -1 0 311.342 -0.994 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)C1 ZINC000970437288 663989431 /nfs/dbraw/zinc/98/94/31/663989431.db2.gz JQFBTWSNECDFEG-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C(C)(C)C)[C@@H](O)C2)c1[O-] ZINC000970441741 663990368 /nfs/dbraw/zinc/99/03/68/663990368.db2.gz UHXBHNRNFQQNCN-BDAKNGLRSA-N -1 0 310.354 -0.229 20 0 DBADRM CCn1cc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC000970660316 664029941 /nfs/dbraw/zinc/02/99/41/664029941.db2.gz PRCUCVHWAUKZFW-QMMMGPOBSA-N -1 0 320.357 -0.628 20 0 DBADRM CC(C)CC(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954934110 664031350 /nfs/dbraw/zinc/03/13/50/664031350.db2.gz SLUIKUCHJHQQRQ-UHFFFAOYSA-N -1 0 311.342 -0.595 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000909843312 674582604 /nfs/dbraw/zinc/58/26/04/674582604.db2.gz SSFIQCNDMBBESJ-GFCCVEGCSA-N -1 0 321.399 -0.562 20 0 DBADRM O=C(CCC1CC1)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001010770969 664046402 /nfs/dbraw/zinc/04/64/02/664046402.db2.gz ZJWYBVPVGXCLOL-UHFFFAOYSA-N -1 0 321.337 -0.243 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2nnc3c2CCCC3)C[C@H](C(=O)[O-])O1 ZINC000909897701 674586157 /nfs/dbraw/zinc/58/61/57/674586157.db2.gz VSHWSUCUEBKFAV-BXKDBHETSA-N -1 0 308.338 -0.143 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2cnns2)c1[O-] ZINC000949426190 664079006 /nfs/dbraw/zinc/07/90/06/664079006.db2.gz NNTZCSUJKOWECU-ZETCQYMHSA-N -1 0 322.350 -0.080 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)C2(C(N)=O)CC2)c1[O-] ZINC000949435933 664085116 /nfs/dbraw/zinc/08/51/16/664085116.db2.gz UKUOFMSVAYHWJX-MRVPVSSYSA-N -1 0 321.337 -0.980 20 0 DBADRM CC(=O)N1C[C@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@H]21 ZINC000970970244 664085632 /nfs/dbraw/zinc/08/56/32/664085632.db2.gz HFONOQOTPWIZHT-MWLCHTKSSA-N -1 0 316.321 -0.890 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(S(C)(=O)=O)s1 ZINC000846489934 664091528 /nfs/dbraw/zinc/09/15/28/664091528.db2.gz BIGDUUCICYXILX-UHFFFAOYSA-N -1 0 306.365 -0.051 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2cnnn2C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947271467 664093511 /nfs/dbraw/zinc/09/35/11/664093511.db2.gz IZKZKOUUOJHWJJ-DTWKUNHWSA-N -1 0 320.357 -0.578 20 0 DBADRM CCCC(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000971100360 664108142 /nfs/dbraw/zinc/10/81/42/664108142.db2.gz ZQSJQQKTZKBKGG-NXEZZACHSA-N -1 0 323.353 -0.451 20 0 DBADRM Cc1ncncc1C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000971133644 664114093 /nfs/dbraw/zinc/11/40/93/664114093.db2.gz AEZMWMFWHXHPMH-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM Cc1cnn(CC(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC000971163098 664118377 /nfs/dbraw/zinc/11/83/77/664118377.db2.gz SFAZJKINDWTHLC-NSHDSACASA-N -1 0 319.369 -0.252 20 0 DBADRM Cc1cc(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC000971167919 664118843 /nfs/dbraw/zinc/11/88/43/664118843.db2.gz YHINOKJPCOSYJN-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(Cc1nn(C)c(=O)[n-]1)[C@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC000971177875 664120988 /nfs/dbraw/zinc/12/09/88/664120988.db2.gz QTTZUXKAPICINK-RYUDHWBXSA-N -1 0 323.397 -0.432 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2ccnn2C)C1 ZINC000971181727 664121323 /nfs/dbraw/zinc/12/13/23/664121323.db2.gz RKWLDZYTYZGABH-VIFPVBQESA-N -1 0 305.342 -0.410 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2nccnc2N)C1 ZINC000971228727 664126885 /nfs/dbraw/zinc/12/68/85/664126885.db2.gz GMGCNXUKKRXSLJ-QMMMGPOBSA-N -1 0 318.341 -0.771 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000971248896 664129307 /nfs/dbraw/zinc/12/93/07/664129307.db2.gz HEPWJSKUFZSZEA-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM CC(C)CC(=O)N1CC([C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006492316 664132905 /nfs/dbraw/zinc/13/29/05/664132905.db2.gz IXEVPSGSAZCFPC-QMMMGPOBSA-N -1 0 323.353 -0.094 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC000971282764 664138261 /nfs/dbraw/zinc/13/82/61/664138261.db2.gz VQXKNRSBMSJEEC-SECBINFHSA-N -1 0 318.337 -0.043 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC000971335855 664143102 /nfs/dbraw/zinc/14/31/02/664143102.db2.gz XPPXPNUPPLJKTA-SNVBAGLBSA-N -1 0 318.337 -0.043 20 0 DBADRM C[C@@H](C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC000971374235 664150950 /nfs/dbraw/zinc/15/09/50/664150950.db2.gz XMYGSGIEPYVGSD-UWVGGRQHSA-N -1 0 320.357 -0.604 20 0 DBADRM COC1(C[C@@H](NS(=O)(=O)c2cnnn2C)C(=O)[O-])CCC1 ZINC000650434022 664195170 /nfs/dbraw/zinc/19/51/70/664195170.db2.gz PKKYEKJCVJUSPO-MRVPVSSYSA-N -1 0 318.355 -0.494 20 0 DBADRM COC1(C[C@H](NS(=O)(=O)c2cnnn2C)C(=O)[O-])CCC1 ZINC000650434023 664195673 /nfs/dbraw/zinc/19/56/73/664195673.db2.gz PKKYEKJCVJUSPO-QMMMGPOBSA-N -1 0 318.355 -0.494 20 0 DBADRM CCn1ncc(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000971492587 664195676 /nfs/dbraw/zinc/19/56/76/664195676.db2.gz HIDDHKSBMIFPDT-VIFPVBQESA-N -1 0 320.357 -0.532 20 0 DBADRM Cc1nnc(CC(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC000971498018 664196184 /nfs/dbraw/zinc/19/61/84/664196184.db2.gz YXGGDJPKYSUVGJ-SECBINFHSA-N -1 0 321.341 -0.523 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1CCO[C@@](C)(C(=O)[O-])C1)CC2 ZINC000910322429 674602103 /nfs/dbraw/zinc/60/21/03/674602103.db2.gz IKGWFGIIUBOPOQ-QMTHXVAHSA-N -1 0 308.338 -0.149 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCN2CCCS2(=O)=O)o1 ZINC000262065473 664200018 /nfs/dbraw/zinc/20/00/18/664200018.db2.gz CGKGQVOSGVTWPC-UHFFFAOYSA-N -1 0 302.308 -0.257 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H](O)C2CCOCC2)[C@](C)(C(=O)[O-])C1 ZINC000910264521 674599823 /nfs/dbraw/zinc/59/98/23/674599823.db2.gz LFKKJIWQKQRZSX-WDMOLILDSA-N -1 0 301.339 -0.136 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@@](C)(C(=O)[O-])C1 ZINC000910321350 674602675 /nfs/dbraw/zinc/60/26/75/674602675.db2.gz NYTBSPWCCHSGFO-JOYOIKCWSA-N -1 0 302.352 -0.390 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1 ZINC000924052875 664246211 /nfs/dbraw/zinc/24/62/11/664246211.db2.gz PKHGSRMGXARUBM-NJBDSQKTSA-N -1 0 315.370 -0.064 20 0 DBADRM CN(C)S(=O)(=O)c1ccccc1N1CC[C@](O)(C(=O)[O-])C1 ZINC000910327799 674603370 /nfs/dbraw/zinc/60/33/70/674603370.db2.gz NEAFFPIDEVSAMB-CYBMUJFWSA-N -1 0 314.363 -0.037 20 0 DBADRM CCc1cc(=O)[nH]c(CN2CCO[C@H](CS(C)(=O)=O)C2)n1 ZINC000933638646 664257251 /nfs/dbraw/zinc/25/72/51/664257251.db2.gz ATHZOJRGAVTWBW-NSHDSACASA-N -1 0 315.395 -0.010 20 0 DBADRM COC[C@H]1COCCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000926276204 664272867 /nfs/dbraw/zinc/27/28/67/664272867.db2.gz IHDYJCKTFMNACQ-IINYFYTJSA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)CN1CCCS1(=O)=O ZINC000910425878 674605984 /nfs/dbraw/zinc/60/59/84/674605984.db2.gz IHNOPHOCHQIPCV-ZETCQYMHSA-N -1 0 312.294 -0.657 20 0 DBADRM Cc1cc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001022426343 664278211 /nfs/dbraw/zinc/27/82/11/664278211.db2.gz IRBBCGSYWMLJKA-AOOOYVTPSA-N -1 0 319.369 -0.468 20 0 DBADRM CN1CC[C@@H](C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1(=O)=O ZINC000910434397 674606729 /nfs/dbraw/zinc/60/67/29/674606729.db2.gz ISSXQCKFFLJVKZ-BQBZGAKWSA-N -1 0 312.294 -0.659 20 0 DBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c1 ZINC000558642562 664297196 /nfs/dbraw/zinc/29/71/96/664297196.db2.gz KRMDOLSSSNSRBG-JTQLQIEISA-N -1 0 323.334 -0.275 20 0 DBADRM CO[C@H](C)CN1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000949609611 664308644 /nfs/dbraw/zinc/30/86/44/664308644.db2.gz AUKNTYDUHKPBGY-SNVBAGLBSA-N -1 0 310.354 -0.721 20 0 DBADRM Cc1c[nH]nc1C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[nH]1 ZINC001038235503 664315718 /nfs/dbraw/zinc/31/57/18/664315718.db2.gz NBGFVSOVKFLPAB-SECBINFHSA-N -1 0 305.342 -0.856 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC000972083123 664328145 /nfs/dbraw/zinc/32/81/45/664328145.db2.gz VMYJNNBJQNSNGK-MRVPVSSYSA-N -1 0 321.341 -0.704 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CS[C@H](C)C1 ZINC000910490664 674611853 /nfs/dbraw/zinc/61/18/53/674611853.db2.gz XRJWAIZOFJGSAH-ZJUUUORDSA-N -1 0 318.395 -0.054 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CS[C@@H](C)C1 ZINC000910490663 674612148 /nfs/dbraw/zinc/61/21/48/674612148.db2.gz XRJWAIZOFJGSAH-VHSXEESVSA-N -1 0 318.395 -0.054 20 0 DBADRM CNS(=O)(=O)c1ccccc1N1CCO[C@H](C(=O)[O-])C1 ZINC000043703199 664339300 /nfs/dbraw/zinc/33/93/00/664339300.db2.gz JZEGGUIXDWVLMH-JTQLQIEISA-N -1 0 300.336 -0.116 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC000910521681 674613696 /nfs/dbraw/zinc/61/36/96/674613696.db2.gz SNQMWZAAQIVGFX-FWWHASMVSA-N -1 0 313.228 -0.619 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CCS[C@@H]1C ZINC000910493684 674613753 /nfs/dbraw/zinc/61/37/53/674613753.db2.gz MQNZQVBAYMDUNW-NXEZZACHSA-N -1 0 318.395 -0.054 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC000972319710 664367489 /nfs/dbraw/zinc/36/74/89/664367489.db2.gz IXSKBVRHYYVUNM-OTYXRUKQSA-N -1 0 322.369 -0.931 20 0 DBADRM CC(C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)=C1CCC1 ZINC000991267517 674615434 /nfs/dbraw/zinc/61/54/34/674615434.db2.gz YTGAQODRGHFMAJ-UHFFFAOYSA-N -1 0 321.337 -0.483 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@]3(C2)CN(CCO)CCO3)c1[O-] ZINC000972343902 664371987 /nfs/dbraw/zinc/37/19/87/664371987.db2.gz SEUHIIXWOOWIPY-CQSZACIVSA-N -1 0 310.354 -0.667 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC000972371156 664377874 /nfs/dbraw/zinc/37/78/74/664377874.db2.gz VHGPCEDKPCFEGF-SNVBAGLBSA-N -1 0 320.357 -0.706 20 0 DBADRM C/C=C(\C)C(=O)N1CC([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006492416 664387256 /nfs/dbraw/zinc/38/72/56/664387256.db2.gz JGLXVKSXFDGTOF-RXLGXGPVSA-N -1 0 321.337 -0.174 20 0 DBADRM Cc1ccnn1CC(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000972447640 664404553 /nfs/dbraw/zinc/40/45/53/664404553.db2.gz SQGWCERXLXPPRC-NSHDSACASA-N -1 0 319.369 -0.252 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H]2CO)c1 ZINC000889146948 664411309 /nfs/dbraw/zinc/41/13/09/664411309.db2.gz DJVRYRCJFZMFQP-VIFPVBQESA-N -1 0 314.363 -0.151 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)c1[O-] ZINC001023040700 664429422 /nfs/dbraw/zinc/42/94/22/664429422.db2.gz JBGHUPDSVVCRMS-NXEZZACHSA-N -1 0 319.321 -0.633 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)C1 ZINC000262300505 664443396 /nfs/dbraw/zinc/44/33/96/664443396.db2.gz NOHRFYKWBFLRNR-KXUCPTDWSA-N -1 0 320.367 -0.841 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)NC[C@@](C)(O)C(=O)[O-])c2=O ZINC000262337791 664452849 /nfs/dbraw/zinc/45/28/49/664452849.db2.gz CBYZFFWVJXKMGC-CQSZACIVSA-N -1 0 305.290 -0.432 20 0 DBADRM C[C@](O)(CNC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)[O-] ZINC000262340953 664454591 /nfs/dbraw/zinc/45/45/91/664454591.db2.gz AIJIAYNCZSQZEA-YGRLFVJLSA-N -1 0 308.290 -0.272 20 0 DBADRM C[C@](O)(CNC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)[O-] ZINC000262349128 664475427 /nfs/dbraw/zinc/47/54/27/664475427.db2.gz DXMDTRGCFHEFIV-ZDUSSCGKSA-N -1 0 305.294 -0.708 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC=CC3)C2)c1[O-] ZINC001023247262 664477704 /nfs/dbraw/zinc/47/77/04/664477704.db2.gz LWLWOFQLWBBAIN-GHMZBOCLSA-N -1 0 320.349 -0.309 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CCN3CCCS3(=O)=O)C[C@@H]21 ZINC000910792613 674643185 /nfs/dbraw/zinc/64/31/85/674643185.db2.gz QLAJMNDMVHMRAX-JZYVYDRUSA-N -1 0 302.352 -0.799 20 0 DBADRM O=C(NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001023276681 664812994 /nfs/dbraw/zinc/81/29/94/664812994.db2.gz CZBZOINTSDPWBW-NXEZZACHSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C3CC3)C2)c1[O-] ZINC001023322579 664816549 /nfs/dbraw/zinc/81/65/49/664816549.db2.gz FMXKATOZLYNHSF-WHGOUJPWSA-N -1 0 322.365 -0.229 20 0 DBADRM O=C(NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cncnc1 ZINC001023330081 664817436 /nfs/dbraw/zinc/81/74/36/664817436.db2.gz BYQHDASBJRXMBP-SNVBAGLBSA-N -1 0 317.353 -0.058 20 0 DBADRM Cn1cnc(C(=O)NC[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001023352495 664819765 /nfs/dbraw/zinc/81/97/65/664819765.db2.gz NAQUOKQMWWDNRJ-SECBINFHSA-N -1 0 320.357 -0.719 20 0 DBADRM CC[C@@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001023422304 664825401 /nfs/dbraw/zinc/82/54/01/664825401.db2.gz KQDMVZQIRCMGRZ-IWSPIJDZSA-N -1 0 314.317 -0.527 20 0 DBADRM CN(CCF)[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000972567677 664827333 /nfs/dbraw/zinc/82/73/33/664827333.db2.gz JRDRGQGTMRLGON-JTQLQIEISA-N -1 0 322.344 -0.427 20 0 DBADRM COCC[C@@H](NC(=O)c1sccc1-n1cnnn1)C(=O)[O-] ZINC000052784947 664836398 /nfs/dbraw/zinc/83/63/98/664836398.db2.gz PISZDGXOZCGFJX-SSDOTTSWSA-N -1 0 311.323 -0.057 20 0 DBADRM Cc1ccn2cc(C(=O)[N-]NC(=O)C(=O)NC3CC3)nc2c1 ZINC000052852519 664839959 /nfs/dbraw/zinc/83/99/59/664839959.db2.gz JKPLLZFZUWJMEZ-UHFFFAOYSA-N -1 0 301.306 -0.318 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 ZINC000972620014 664845931 /nfs/dbraw/zinc/84/59/31/664845931.db2.gz VAFHDMVBJZXLEM-IINYFYTJSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 ZINC000972620018 664846129 /nfs/dbraw/zinc/84/61/29/664846129.db2.gz VAFHDMVBJZXLEM-QMTHXVAHSA-N -1 0 309.370 -0.030 20 0 DBADRM CCn1cc(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC000972633054 664849766 /nfs/dbraw/zinc/84/97/66/664849766.db2.gz ZAZFFHNUDADBKN-VIFPVBQESA-N -1 0 320.357 -0.532 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1[C@@H](C(=O)[O-])C[C@@H]2OCC[C@@H]21 ZINC000926596034 664859269 /nfs/dbraw/zinc/85/92/69/664859269.db2.gz MGPTZMDDVCQPOY-HHKYUTTNSA-N -1 0 305.352 -0.190 20 0 DBADRM CO[C@]1(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)CCSC1 ZINC000892428279 664876700 /nfs/dbraw/zinc/87/67/00/664876700.db2.gz WJWVEBJNARKXND-SNVBAGLBSA-N -1 0 305.381 -0.253 20 0 DBADRM O=C(NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1COC(=O)N1 ZINC001024421596 664887551 /nfs/dbraw/zinc/88/75/51/664887551.db2.gz CFIUIXZEEPSGFD-BDAKNGLRSA-N -1 0 324.341 -0.911 20 0 DBADRM Cn1cc(C(=O)NC[C@@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001024421097 664887583 /nfs/dbraw/zinc/88/75/83/664887583.db2.gz ZOKRKSJFXHDIMX-VIFPVBQESA-N -1 0 320.357 -0.577 20 0 DBADRM C[C@@H]1[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C1CCC1 ZINC001011363911 664889780 /nfs/dbraw/zinc/88/97/80/664889780.db2.gz KEZXWVYLGOPXNG-VXNVDRBHSA-N -1 0 321.337 -0.198 20 0 DBADRM CN(C)C(=O)NCCNC(=O)c1n[n-]c2ccccc2c1=O ZINC000179583942 664891221 /nfs/dbraw/zinc/89/12/21/664891221.db2.gz FMWREPPPXQGNIH-UHFFFAOYSA-N -1 0 303.322 -0.076 20 0 DBADRM C[C@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001024532460 664894528 /nfs/dbraw/zinc/89/45/28/664894528.db2.gz GYTCKGCXEOQRON-IUCAKERBSA-N -1 0 311.342 -0.752 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)C3=COCCO3)C2)c1[O-] ZINC000972929644 664895004 /nfs/dbraw/zinc/89/50/04/664895004.db2.gz AWFKZGREIQABFP-KYZUINATSA-N -1 0 322.321 -0.311 20 0 DBADRM O=C(CC(F)(F)F)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024544609 664895717 /nfs/dbraw/zinc/89/57/17/664895717.db2.gz CBZKEELZVCPERJ-RNFRBKRXSA-N -1 0 307.232 -0.941 20 0 DBADRM Cc1ccccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024544198 664895792 /nfs/dbraw/zinc/89/57/92/664895792.db2.gz ZCEKWOMBKFROAP-CHWSQXEVSA-N -1 0 315.333 -0.272 20 0 DBADRM O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@H]1O)c1cn[nH]n1 ZINC001024551025 664897789 /nfs/dbraw/zinc/89/77/89/664897789.db2.gz QDPINWLEBSJMMD-XKAARJIMSA-N -1 0 319.365 -0.458 20 0 DBADRM Cn1[nH]c(CN2CC[C@H]2CNC(=O)c2ccns2)nc1=O ZINC001038305776 664900397 /nfs/dbraw/zinc/90/03/97/664900397.db2.gz KTACGQYJIUUKIA-QMMMGPOBSA-N -1 0 308.367 -0.431 20 0 DBADRM O=C(NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1CCNC1=O ZINC001024595238 664902195 /nfs/dbraw/zinc/90/21/95/664902195.db2.gz GZFNGMONSSDQPT-ZJUUUORDSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)c1cnon1 ZINC001024720954 664912096 /nfs/dbraw/zinc/91/20/96/664912096.db2.gz WDSRUQCLMHCMEF-MRVPVSSYSA-N -1 0 307.314 -0.322 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)[N-]OC[C@@H]2CCOC2)C1=O ZINC000935594269 664913451 /nfs/dbraw/zinc/91/34/51/664913451.db2.gz PCGOQXAGHDXHJD-MNOVXSKESA-N -1 0 314.338 -0.518 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC000972982594 664935097 /nfs/dbraw/zinc/93/50/97/664935097.db2.gz KDKLDZWZLQBGKU-SNVBAGLBSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CN([C@@H](C)C(N)=O)CC2(C)C)c1[O-] ZINC000973043564 664951721 /nfs/dbraw/zinc/95/17/21/664951721.db2.gz ONCZDSGIUXHMAF-IUCAKERBSA-N -1 0 309.370 -0.262 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3cn[nH]c3)C2)c1[O-] ZINC000973057901 664957123 /nfs/dbraw/zinc/95/71/23/664957123.db2.gz VTIXWNQLSNQYRH-KYZUINATSA-N -1 0 304.310 -0.162 20 0 DBADRM CCO[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC000973062970 664958075 /nfs/dbraw/zinc/95/80/75/664958075.db2.gz LTLNUTHSYSCJFI-BFLSOPEQSA-N -1 0 320.349 -0.016 20 0 DBADRM CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC000973062973 664958272 /nfs/dbraw/zinc/95/82/72/664958272.db2.gz LTLNUTHSYSCJFI-QFOLPQNPSA-N -1 0 320.349 -0.016 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)Cc3nnc[nH]3)C2)c1[O-] ZINC000936165474 664961541 /nfs/dbraw/zinc/96/15/41/664961541.db2.gz KKWPAVWIWXBIMJ-MRVPVSSYSA-N -1 0 319.325 -0.885 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)Cc3nc[nH]n3)C2)c1[O-] ZINC000973182325 665001611 /nfs/dbraw/zinc/00/16/11/665001611.db2.gz YLWKIQJUSILEJG-ZKCHVHJHSA-N -1 0 319.325 -0.838 20 0 DBADRM CC(C)[C@@H](C)C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000936188485 665005829 /nfs/dbraw/zinc/00/58/29/665005829.db2.gz FDDJKYSCXAPZKZ-RKDXNWHRSA-N -1 0 323.353 -0.094 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)[C@H](C)C1 ZINC000783404077 665037529 /nfs/dbraw/zinc/03/75/29/665037529.db2.gz HJPKCNJVKGIJEK-ZJUUUORDSA-N -1 0 306.384 -0.069 20 0 DBADRM O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC23CC3)C1)c1n[nH]c(=O)[n-]c1=O ZINC000973476253 665039839 /nfs/dbraw/zinc/03/98/39/665039839.db2.gz RBBRQUXWZWKPDB-FXQIFTODSA-N -1 0 319.321 -0.540 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973476753 665040145 /nfs/dbraw/zinc/04/01/45/665040145.db2.gz SPZIVCSOVJEKSK-JBDRJPRFSA-N -1 0 321.337 -0.294 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1C[C@H]1C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006572191 665051103 /nfs/dbraw/zinc/05/11/03/665051103.db2.gz ZCPRHYDQWBVCBA-ZXFLCMHBSA-N -1 0 321.337 -0.485 20 0 DBADRM Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)N2CCOCC2)s1 ZINC000892744467 665061834 /nfs/dbraw/zinc/06/18/34/665061834.db2.gz JFXKKLZOIFSAKX-UHFFFAOYSA-N -1 0 319.408 -0.004 20 0 DBADRM CC(=O)N1CCC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC[C@H]21 ZINC000973704105 665063618 /nfs/dbraw/zinc/06/36/18/665063618.db2.gz WXVYFUNNCUUJKB-WDEREUQCSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@@H](NC(=O)c1cnon1)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001025571143 665064422 /nfs/dbraw/zinc/06/44/22/665064422.db2.gz LXKZVEDKSFKIIY-BDAKNGLRSA-N -1 0 321.341 -0.076 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C2)c1[O-] ZINC001025574635 665065171 /nfs/dbraw/zinc/06/51/71/665065171.db2.gz UHXBHNRNFQQNCN-RKDXNWHRSA-N -1 0 310.354 -0.229 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000892842160 665069876 /nfs/dbraw/zinc/06/98/76/665069876.db2.gz BUUXBRMZJVPMHS-GARJFASQSA-N -1 0 306.384 -0.259 20 0 DBADRM CC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973744123 665076223 /nfs/dbraw/zinc/07/62/23/665076223.db2.gz VAJRJSZRWVHWPS-UWVGGRQHSA-N -1 0 321.337 -0.244 20 0 DBADRM C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001025758006 665083686 /nfs/dbraw/zinc/08/36/86/665083686.db2.gz NTGCAFVDNMCEMI-VLLVSFFDSA-N -1 0 321.381 -0.128 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)Cc3ccoc3)C2)nc1=O ZINC001020096157 665105015 /nfs/dbraw/zinc/10/50/15/665105015.db2.gz PWPWTDUPAAORRW-XYPYZODXSA-N -1 0 305.338 -0.319 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C(F)F)OC ZINC000853207787 665108330 /nfs/dbraw/zinc/10/83/30/665108330.db2.gz JQPSUCVYBHBEQJ-CSMHCCOUSA-N -1 0 301.311 -0.005 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000973843701 665132603 /nfs/dbraw/zinc/13/26/03/665132603.db2.gz ITAFGLYZYGSZHQ-AXTSPUMRSA-N -1 0 320.349 -0.481 20 0 DBADRM O=C(N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccoc1 ZINC000973873918 665136576 /nfs/dbraw/zinc/13/65/76/665136576.db2.gz FHJRIRJITVMQKW-OCAPTIKFSA-N -1 0 319.277 -0.433 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn(C)cn3)C2)c1[O-] ZINC000974030267 665158147 /nfs/dbraw/zinc/15/81/47/665158147.db2.gz NYQAMEITSSHMBD-DTORHVGOSA-N -1 0 318.337 -0.152 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn(C)nn3)C2)c1[O-] ZINC000974039683 665159468 /nfs/dbraw/zinc/15/94/68/665159468.db2.gz SLXAVQJBYFIQTG-OCAPTIKFSA-N -1 0 319.325 -0.757 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cncnc3)C2)c1[O-] ZINC000974040016 665159657 /nfs/dbraw/zinc/15/96/57/665159657.db2.gz YEOXRHAZKSTXCX-AOOOYVTPSA-N -1 0 316.321 -0.095 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc3nnn(C)c3c2)cn1 ZINC000183459530 665162763 /nfs/dbraw/zinc/16/27/63/665162763.db2.gz JESOJTXWIYFYPQ-UHFFFAOYSA-N -1 0 320.334 -0.180 20 0 DBADRM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1)c1ccnn1C ZINC000974185006 665177085 /nfs/dbraw/zinc/17/70/85/665177085.db2.gz VKWMCRHSGGRTSQ-LPEHRKFASA-N -1 0 317.353 -0.281 20 0 DBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)C1 ZINC000974183021 665177376 /nfs/dbraw/zinc/17/73/76/665177376.db2.gz WVHIJGNXYYMKMA-DOLQZWNJSA-N -1 0 320.353 -0.904 20 0 DBADRM CN(CC(=O)[N-]O[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000725897768 665186462 /nfs/dbraw/zinc/18/64/62/665186462.db2.gz HLEWBLYWFGVMBF-JQWIXIFHSA-N -1 0 306.384 -0.320 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000974336137 665193805 /nfs/dbraw/zinc/19/38/05/665193805.db2.gz PFYAGUZKKBKXFL-LURQLKTLSA-N -1 0 321.337 -0.294 20 0 DBADRM CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000974348516 665194935 /nfs/dbraw/zinc/19/49/35/665194935.db2.gz UTPRRNPXJVRXSI-OCAPTIKFSA-N -1 0 311.342 -0.501 20 0 DBADRM CCCC(=O)N1CC[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000936411815 665197433 /nfs/dbraw/zinc/19/74/33/665197433.db2.gz SDMDCELEPPFABD-MRVPVSSYSA-N -1 0 309.326 -0.244 20 0 DBADRM O=C(NC[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000974416153 665217346 /nfs/dbraw/zinc/21/73/46/665217346.db2.gz MOXMSBSSLFFHBO-QMMMGPOBSA-N -1 0 321.337 -0.339 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000974414943 665217347 /nfs/dbraw/zinc/21/73/47/665217347.db2.gz IUFUZIYODUOGCJ-JTQLQIEISA-N -1 0 308.338 -0.526 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCO2)C[C@H]1C1CC1 ZINC000911244100 674693838 /nfs/dbraw/zinc/69/38/38/674693838.db2.gz HLPNMDYFCBCIHB-GRYCIOLGSA-N -1 0 310.350 -0.149 20 0 DBADRM CC(C)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000974703910 665241064 /nfs/dbraw/zinc/24/10/64/665241064.db2.gz PCDBPCOUYSABCP-NXEZZACHSA-N -1 0 323.353 -0.595 20 0 DBADRM Cn1cncc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC000974793644 665247920 /nfs/dbraw/zinc/24/79/20/665247920.db2.gz WCXVKZBGBFJXBJ-SNVBAGLBSA-N -1 0 319.369 -0.116 20 0 DBADRM COc1nc(C(=O)N2CC[C@@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001026974502 665249694 /nfs/dbraw/zinc/24/96/94/665249694.db2.gz AQVBSMRDAMPHDT-QMMMGPOBSA-N -1 0 322.325 -0.241 20 0 DBADRM CCOC(=O)CCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)SC ZINC000893422012 665313806 /nfs/dbraw/zinc/31/38/06/665313806.db2.gz KVVUNFHUMSVXIL-MRVPVSSYSA-N -1 0 312.413 -0.016 20 0 DBADRM CCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC000976002694 665316590 /nfs/dbraw/zinc/31/65/90/665316590.db2.gz CFZZTYZCIBFSRT-JZYVYDRUSA-N -1 0 306.322 -0.918 20 0 DBADRM CSCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-] ZINC000976363188 665352973 /nfs/dbraw/zinc/35/29/73/665352973.db2.gz MZDSWEMIDCWXQR-MBTKJCJQSA-N -1 0 310.379 -0.027 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cn[nH]n4)C[C@H]32)c1[O-] ZINC000976371558 665353380 /nfs/dbraw/zinc/35/33/80/665353380.db2.gz LQRSGSLUCUAYHS-QMSLJYSESA-N -1 0 317.309 -0.958 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC001027368653 665362644 /nfs/dbraw/zinc/36/26/44/665362644.db2.gz OVIIMEORCGPNPH-JTQLQIEISA-N -1 0 319.369 -0.020 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001027392917 665375796 /nfs/dbraw/zinc/37/57/96/665375796.db2.gz YQYFRLHUIVORSF-DTWKUNHWSA-N -1 0 324.341 -0.959 20 0 DBADRM CN(Cc1nc(=O)n(C)[nH]1)[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001027407807 665381835 /nfs/dbraw/zinc/38/18/35/665381835.db2.gz YMNAEAYYFGVQMA-JTQLQIEISA-N -1 0 319.369 -0.432 20 0 DBADRM CC(C)=CC(=O)N1CC[C@@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000936490848 665389812 /nfs/dbraw/zinc/38/98/12/665389812.db2.gz OKXXVVBGGOZDAD-SNVBAGLBSA-N -1 0 323.353 -0.285 20 0 DBADRM Cc1n[nH]c(C)c1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000976810247 665395141 /nfs/dbraw/zinc/39/51/41/665395141.db2.gz JKFSLKVLZPIAHV-GDGBQDQQSA-N -1 0 315.337 -0.355 20 0 DBADRM O=C(CC1=CCOCC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000976809670 665395369 /nfs/dbraw/zinc/39/53/69/665395369.db2.gz GFVVSSRQTIUKIG-YABSGUDNSA-N -1 0 317.349 -0.272 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]n2)CCO1 ZINC000976809735 665395384 /nfs/dbraw/zinc/39/53/84/665395384.db2.gz GRBRUPIFOIUCGT-YFVNTRNASA-N -1 0 319.365 -0.194 20 0 DBADRM CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000976889823 665403208 /nfs/dbraw/zinc/40/32/08/665403208.db2.gz PTIMGNYUMQCTTK-QMSLJYSESA-N -1 0 307.310 -0.731 20 0 DBADRM Cn1cc(N2CCN(C(=O)Cn3cc(C(=O)[O-])cn3)CC2)cn1 ZINC000911383702 674713915 /nfs/dbraw/zinc/71/39/15/674713915.db2.gz UNEQIMCXBPIOMN-UHFFFAOYSA-N -1 0 318.337 -0.336 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)[C@](C)(CO)C1 ZINC000911793466 674747659 /nfs/dbraw/zinc/74/76/59/674747659.db2.gz VVHLLLTYYOBSQC-VITBEWHZSA-N -1 0 301.339 -0.137 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000911741107 674746552 /nfs/dbraw/zinc/74/65/52/674746552.db2.gz GUVITHZFSNAYQS-ZJUUUORDSA-N -1 0 306.384 -0.020 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCO[C@@H]1C(F)(F)F ZINC000912087825 674756346 /nfs/dbraw/zinc/75/63/46/674756346.db2.gz ZEALBLWYYMECSM-SNVBAGLBSA-N -1 0 317.227 -0.182 20 0 DBADRM CN1C(=O)CN=C1NC(=O)CSc1n[n-]c(=S)s1 ZINC000912498910 674772555 /nfs/dbraw/zinc/77/25/55/674772555.db2.gz BQNJNXJXPZRMEC-UHFFFAOYSA-N -1 0 303.394 -0.137 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C(F)F)C[C@@H]2O)c1[O-] ZINC000991391444 674780123 /nfs/dbraw/zinc/78/01/23/674780123.db2.gz PESFHYFOEOKYGB-BQBZGAKWSA-N -1 0 318.280 -0.620 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(OC)n(C)n1 ZINC000912530764 674774458 /nfs/dbraw/zinc/77/44/58/674774458.db2.gz GZIYKEGOQYJSHF-UHFFFAOYSA-N -1 0 315.311 -0.261 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000912562576 674775771 /nfs/dbraw/zinc/77/57/71/674775771.db2.gz JPPNMJMSRFKPGQ-MRVPVSSYSA-N -1 0 319.339 -0.108 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)CC3CC3)C[C@@H]2O)c1[O-] ZINC000991389277 674777345 /nfs/dbraw/zinc/77/73/45/674777345.db2.gz MFNPIRNBWCBXHL-MNOVXSKESA-N -1 0 322.365 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C(F)F)C[C@H]2O)c1[O-] ZINC000991391446 674780494 /nfs/dbraw/zinc/78/04/94/674780494.db2.gz PESFHYFOEOKYGB-NKWVEPMBSA-N -1 0 318.280 -0.620 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803002456 674798233 /nfs/dbraw/zinc/79/82/33/674798233.db2.gz YGGSIIFBZXUIPV-VHSXEESVSA-N -1 0 306.384 -0.226 20 0 DBADRM C/C(=C/C(=O)N1CCOC[C@@H]1c1nnn[n-]1)CN1CCOCC1 ZINC000913499355 674801507 /nfs/dbraw/zinc/80/15/07/674801507.db2.gz NXNMLROEGPIQSB-NXIHDVOMSA-N -1 0 322.369 -0.622 20 0 DBADRM Cc1nnc(CN2CC[C@H]2CNC(=O)c2cnc[nH]c2=O)[nH]1 ZINC001038390097 674808439 /nfs/dbraw/zinc/80/84/39/674808439.db2.gz JONIMOSMPMVCQC-VIFPVBQESA-N -1 0 303.326 -0.387 20 0 DBADRM COC(=O)N[N-]S(=O)(=O)c1ccc(CCNC(C)=O)cc1 ZINC000055555456 674807853 /nfs/dbraw/zinc/80/78/53/674807853.db2.gz QFTYGEQAROUKNS-UHFFFAOYSA-N -1 0 315.351 -0.086 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C3(C)CC3)[C@@H](O)C2)c1[O-] ZINC000991512960 674807997 /nfs/dbraw/zinc/80/79/97/674807997.db2.gz GQYYFKIOKJGBLE-UWVGGRQHSA-N -1 0 322.365 -0.085 20 0 DBADRM CS(=O)(=O)NCCNC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000165431220 674817193 /nfs/dbraw/zinc/81/71/93/674817193.db2.gz LCIIWYXVSIQZMC-UHFFFAOYSA-N -1 0 307.372 -0.520 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2cscn2)C[C@@H]1O)c1cn[nH]n1 ZINC000991604356 674842786 /nfs/dbraw/zinc/84/27/86/674842786.db2.gz SOYSYOBTIVOVRH-XCBNKYQSSA-N -1 0 322.350 -0.733 20 0 DBADRM Cc1coc(C(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)[C@@H](O)C2)c1 ZINC000991606161 674843827 /nfs/dbraw/zinc/84/38/27/674843827.db2.gz XWLKGDXYDWRUSV-ONGXEEELSA-N -1 0 319.321 -0.288 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C[C@H](O)Cn3cccn3)C2)c1[O-] ZINC001030226885 674847636 /nfs/dbraw/zinc/84/76/36/674847636.db2.gz MRMVORLLCNRJBQ-NSHDSACASA-N -1 0 320.353 -0.905 20 0 DBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)nc1 ZINC000349570409 674845646 /nfs/dbraw/zinc/84/56/46/674845646.db2.gz DDSGFAPAAFLZBX-UHFFFAOYSA-N -1 0 322.412 -0.192 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN([C@@H](C)c3nnnn3C)C2)c1[O-] ZINC001030220904 674846637 /nfs/dbraw/zinc/84/66/37/674846637.db2.gz APXNMHMFZFYGMD-ZETCQYMHSA-N -1 0 306.330 -0.878 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CCN3CCCC3=O)C2)c1[O-] ZINC001030222555 674846854 /nfs/dbraw/zinc/84/68/54/674846854.db2.gz PJHFLSMQGVADTB-UHFFFAOYSA-N -1 0 307.354 -0.540 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](O)C1 ZINC000991612593 674846876 /nfs/dbraw/zinc/84/68/76/674846876.db2.gz LKJIFJNIWBTSLH-WPRPVWTQSA-N -1 0 320.305 -0.360 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(Cc3nc(N(C)C)no3)C2)c1[O-] ZINC001030221978 674846929 /nfs/dbraw/zinc/84/69/29/674846929.db2.gz AICPKUKABIYYNF-UHFFFAOYSA-N -1 0 321.341 -0.513 20 0 DBADRM CCc1nc(CN2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)no1 ZINC001030225266 674847080 /nfs/dbraw/zinc/84/70/80/674847080.db2.gz SPVJNWOHUUUVQI-UHFFFAOYSA-N -1 0 306.326 -0.017 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(Cc3ncnn3CCF)C2)c1[O-] ZINC001030225329 674847118 /nfs/dbraw/zinc/84/71/18/674847118.db2.gz UFYMNVDHRPCIOO-UHFFFAOYSA-N -1 0 323.332 -0.401 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000991665451 674861527 /nfs/dbraw/zinc/86/15/27/674861527.db2.gz JAXPXMVFKCOSKQ-WCBMZHEXSA-N -1 0 315.333 -0.381 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCCc2c[nH]nc21 ZINC001030316452 674863163 /nfs/dbraw/zinc/86/31/63/674863163.db2.gz HJBXGBPUVFBOEX-SNVBAGLBSA-N -1 0 317.353 -0.346 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnn1C(F)F ZINC001030372256 674872265 /nfs/dbraw/zinc/87/22/65/674872265.db2.gz XXMMMQFHTHHZOU-UHFFFAOYSA-N -1 0 313.268 -0.284 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3ccn(C)n3)C2)c1[O-] ZINC000991734176 674885072 /nfs/dbraw/zinc/88/50/72/674885072.db2.gz DBUWTHDBCBHSML-UHFFFAOYSA-N -1 0 304.310 -0.588 20 0 DBADRM Cc1ccncc1CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030464131 674892927 /nfs/dbraw/zinc/89/29/27/674892927.db2.gz ISOINLCEDUFKBC-UHFFFAOYSA-N -1 0 302.338 -0.243 20 0 DBADRM COCc1nn(C)cc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030548637 674903396 /nfs/dbraw/zinc/90/33/96/674903396.db2.gz YPBJSRUZLBAPCH-UHFFFAOYSA-N -1 0 321.341 -0.996 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCc2nccn2C1 ZINC001030553223 674903650 /nfs/dbraw/zinc/90/36/50/674903650.db2.gz TURQHLVGXLOMKD-SECBINFHSA-N -1 0 317.353 -0.730 20 0 DBADRM C[C@@H](C(=O)NC1CCCC1)N1CC(NC(=O)c2cn[nH]n2)C1 ZINC001030600059 674910669 /nfs/dbraw/zinc/91/06/69/674910669.db2.gz RRRAZPZOQSHXLQ-VIFPVBQESA-N -1 0 306.370 -0.334 20 0 DBADRM CCCCn1nnnc1CN1CC(NC(=O)c2cn[nH]n2)C1 ZINC001030601367 674911092 /nfs/dbraw/zinc/91/10/92/674911092.db2.gz LYIJQMDEJBJIQW-UHFFFAOYSA-N -1 0 305.346 -0.795 20 0 DBADRM O=C(NC1CN(CC[C@H]2CCCO2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030616656 674913242 /nfs/dbraw/zinc/91/32/42/674913242.db2.gz DLCWOVCUWWOFJL-SECBINFHSA-N -1 0 309.326 -0.734 20 0 DBADRM Cc1conc1CN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030618587 674913776 /nfs/dbraw/zinc/91/37/76/674913776.db2.gz MCDBKSNVWWUIRI-UHFFFAOYSA-N -1 0 306.282 -0.807 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001030637464 674916288 /nfs/dbraw/zinc/91/62/88/674916288.db2.gz WPTMHSQOVBHRLW-JTQLQIEISA-N -1 0 322.369 -0.931 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000231013681 674920486 /nfs/dbraw/zinc/92/04/86/674920486.db2.gz LORIWEWUMZKTPP-UHFFFAOYSA-N -1 0 317.323 -0.031 20 0 DBADRM CCc1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cc(=O)[nH]1 ZINC001030687035 674924421 /nfs/dbraw/zinc/92/44/21/674924421.db2.gz LYHUJLPGRACILU-UHFFFAOYSA-N -1 0 318.337 -0.213 20 0 DBADRM Cc1c[nH]c(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)n1 ZINC000991986746 674930070 /nfs/dbraw/zinc/93/00/70/674930070.db2.gz YCOICCCLYAHNNZ-UHFFFAOYSA-N -1 0 304.310 -0.290 20 0 DBADRM CCOc1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001030689548 674924964 /nfs/dbraw/zinc/92/49/64/674924964.db2.gz NMTQKTMAKWLGMY-UHFFFAOYSA-N -1 0 308.298 -0.489 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000063803585 674925338 /nfs/dbraw/zinc/92/53/38/674925338.db2.gz YOUIXRSSDYIALW-ZCFIWIBFSA-N -1 0 306.278 -0.295 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2cn(C)nn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947261772 674926586 /nfs/dbraw/zinc/92/65/86/674926586.db2.gz NHKZIZZQFPFJEX-IUCAKERBSA-N -1 0 320.357 -0.578 20 0 DBADRM CC[C@H]1C[C@H](C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)CC(=O)N1 ZINC001030725518 674932732 /nfs/dbraw/zinc/93/27/32/674932732.db2.gz STZSFKQQDHYMHO-IUCAKERBSA-N -1 0 322.369 -0.885 20 0 DBADRM CC(C)n1cnc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001030741091 674934877 /nfs/dbraw/zinc/93/48/77/674934877.db2.gz XWWHUTFVDABMJH-UHFFFAOYSA-N -1 0 305.342 -0.098 20 0 DBADRM Cc1cnc(CN2CC(NC(=O)c3cnc([O-])n(C)c3=O)C2)o1 ZINC001030779806 674951576 /nfs/dbraw/zinc/95/15/76/674951576.db2.gz KCVHRAARISBNRC-UHFFFAOYSA-N -1 0 319.321 -0.603 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038567610 674960957 /nfs/dbraw/zinc/96/09/57/674960957.db2.gz GXSJZGBEUDUUJP-JTQLQIEISA-N -1 0 319.369 -0.135 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038567612 674961360 /nfs/dbraw/zinc/96/13/60/674961360.db2.gz GXSJZGBEUDUUJP-SNVBAGLBSA-N -1 0 319.369 -0.135 20 0 DBADRM C[C@@H](C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cncnc1 ZINC001030837237 674973667 /nfs/dbraw/zinc/97/36/67/674973667.db2.gz HARNNUJHZAFHIP-MRVPVSSYSA-N -1 0 303.326 -0.596 20 0 DBADRM COCCN(CC(=O)N(C)CCN1CCOCC1)C(=O)[O-] ZINC000739815074 674978133 /nfs/dbraw/zinc/97/81/33/674978133.db2.gz YGJMMDYBSURJBC-UHFFFAOYSA-N -1 0 303.359 -0.597 20 0 DBADRM CC1(C(=O)NC2CC(CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000992251606 674978430 /nfs/dbraw/zinc/97/84/30/674978430.db2.gz GMUXOYOHUHXXJA-UHFFFAOYSA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(N[C@H]1CCN(Cc2csnn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015108470 674983424 /nfs/dbraw/zinc/98/34/24/674983424.db2.gz CNPSFJNAYJJXIN-LURJTMIESA-N -1 0 323.338 -0.861 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CC(CNC(=O)c3nnc[nH]3)C2)c1[O-] ZINC000992299755 674986375 /nfs/dbraw/zinc/98/63/75/674986375.db2.gz ADVQURUWEBYENK-UHFFFAOYSA-N -1 0 319.325 -0.520 20 0 DBADRM COc1ncccc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030891118 674991129 /nfs/dbraw/zinc/99/11/29/674991129.db2.gz OSNCIEWHOPZBEC-UHFFFAOYSA-N -1 0 304.310 -0.472 20 0 DBADRM CCC(=O)N1C[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@]2(C)C1 ZINC000992447513 675000128 /nfs/dbraw/zinc/00/01/28/675000128.db2.gz AKCTWKVKAXOAPY-RMLUDKJBSA-N -1 0 321.337 -0.387 20 0 DBADRM Cc1ncccc1CC(=O)NC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001030951768 675009137 /nfs/dbraw/zinc/00/91/37/675009137.db2.gz DURIGMFKHQXDOZ-UHFFFAOYSA-N -1 0 316.365 -0.645 20 0 DBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)CC1(F)CCC1)C(=O)OC ZINC000913885175 675009198 /nfs/dbraw/zinc/00/91/98/675009198.db2.gz MXXSGACSWODZCK-MRVPVSSYSA-N -1 0 311.331 -0.097 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cncc(C(=O)OC)c1 ZINC000760214750 675008825 /nfs/dbraw/zinc/00/88/25/675008825.db2.gz CNRMJCDHPUCEMH-QMMMGPOBSA-N -1 0 316.335 -0.037 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cncc(C(=O)OC)c1 ZINC000760214748 675008976 /nfs/dbraw/zinc/00/89/76/675008976.db2.gz CNRMJCDHPUCEMH-MRVPVSSYSA-N -1 0 316.335 -0.037 20 0 DBADRM C[C@@H](CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)S(N)(=O)=O ZINC000760487932 675014843 /nfs/dbraw/zinc/01/48/43/675014843.db2.gz XUZIFKXOTVJPOF-YFKPBYRVSA-N -1 0 319.305 -0.763 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000913992468 675015557 /nfs/dbraw/zinc/01/55/57/675015557.db2.gz AIKQLYHLTOOHBL-LLVKDONJSA-N -1 0 302.375 -0.680 20 0 DBADRM O=S(=O)(N[C@H](CO)c1cc(F)ccc1F)[C@@H]1COC[C@H]1O ZINC000914146811 675023817 /nfs/dbraw/zinc/02/38/17/675023817.db2.gz AFINUJJZMYZVKE-IJLUTSLNSA-N -1 0 323.317 -0.323 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3ncnn3C)C2)c1[O-] ZINC001007122687 675025132 /nfs/dbraw/zinc/02/51/32/675025132.db2.gz RYLRQFDAHPOEQT-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1ccccc1[C@@H](CO)NS(=O)(=O)[C@@H]1COC[C@H]1O ZINC000914214704 675027999 /nfs/dbraw/zinc/02/79/99/675027999.db2.gz PXNOZTFWKBPPTN-JHJVBQTASA-N -1 0 301.364 -0.292 20 0 DBADRM COc1ncc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)s1 ZINC000914274647 675029734 /nfs/dbraw/zinc/02/97/34/675029734.db2.gz QSFZLKWUXTYPIN-VIFPVBQESA-N -1 0 318.424 -0.570 20 0 DBADRM Cc1ncc(Cl)c(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001031053192 675033892 /nfs/dbraw/zinc/03/38/92/675033892.db2.gz ALYHPIOZTOACCR-UHFFFAOYSA-N -1 0 323.744 -0.124 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)s1 ZINC000753950388 675034707 /nfs/dbraw/zinc/03/47/07/675034707.db2.gz MXGZUHDLKXEZLY-UHFFFAOYSA-N -1 0 306.321 -0.920 20 0 DBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H]1CCCCNC1=O ZINC000730545198 675039315 /nfs/dbraw/zinc/03/93/15/675039315.db2.gz SEBGDYUGHMXHAL-SNVBAGLBSA-N -1 0 318.337 -0.802 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)C ZINC000730522504 675036444 /nfs/dbraw/zinc/03/64/44/675036444.db2.gz MSRHZKMGRVNNEW-JTQLQIEISA-N -1 0 307.310 -0.615 20 0 DBADRM CCCCN(CC(N)=O)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730526824 675036792 /nfs/dbraw/zinc/03/67/92/675036792.db2.gz LAQNRLFHIYJYBG-UHFFFAOYSA-N -1 0 306.326 -0.815 20 0 DBADRM COC(=O)[C@@H](C)CN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730586319 675040653 /nfs/dbraw/zinc/04/06/53/675040653.db2.gz FJKNBEVZVRCLPS-QMMMGPOBSA-N -1 0 307.310 -0.661 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC1CN(CC2CC2)C1 ZINC001031116546 675040992 /nfs/dbraw/zinc/04/09/92/675040992.db2.gz RRHZWQFBMRVXDA-UHFFFAOYSA-N -1 0 302.338 -0.718 20 0 DBADRM C[C@H](F)CCN1CC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001031116230 675041011 /nfs/dbraw/zinc/04/10/11/675041011.db2.gz HGSRINAJFHEINR-VIFPVBQESA-N -1 0 322.344 -0.380 20 0 DBADRM CC[C@@H](C)CN1CC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001031116373 675041104 /nfs/dbraw/zinc/04/11/04/675041104.db2.gz OCTYUEHXUWAUNC-SNVBAGLBSA-N -1 0 318.381 -0.082 20 0 DBADRM O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762126113 675044090 /nfs/dbraw/zinc/04/40/90/675044090.db2.gz CAHYCTWGSMLMLZ-QWRGUYRKSA-N -1 0 307.368 -0.336 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1)C(=O)C1CC1 ZINC000762133920 675044682 /nfs/dbraw/zinc/04/46/82/675044682.db2.gz OLNTUXVAEQTHQZ-VIFPVBQESA-N -1 0 304.368 -0.663 20 0 DBADRM CC[C@@H](C)NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730659199 675045647 /nfs/dbraw/zinc/04/56/47/675045647.db2.gz RUEHWKGUGIAXJC-MRVPVSSYSA-N -1 0 307.310 -0.471 20 0 DBADRM CC(C)n1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001031163826 675053968 /nfs/dbraw/zinc/05/39/68/675053968.db2.gz FRJQHBMBZIQBOU-UHFFFAOYSA-N -1 0 306.330 -0.703 20 0 DBADRM CNS(=O)(=O)c1cccc(CNC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000731877713 677346798 /nfs/dbraw/zinc/34/67/98/677346798.db2.gz OTOBXBBHBBNFRO-UHFFFAOYSA-N -1 0 310.335 -0.913 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2CCN2CCNC2=O)c1[O-] ZINC001038165320 670576638 /nfs/dbraw/zinc/57/66/38/670576638.db2.gz PTTQDFCDRPQUFO-SNVBAGLBSA-N -1 0 322.369 -0.747 20 0 DBADRM Cc1nn(C)cc1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028454056 670787110 /nfs/dbraw/zinc/78/71/10/670787110.db2.gz MKRHCVMPRHPTNW-SNVBAGLBSA-N -1 0 319.369 -0.196 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)c2cc(=O)[nH][n-]2)ccc1C ZINC000732265705 677352298 /nfs/dbraw/zinc/35/22/98/677352298.db2.gz GUIAOSFMUYRXEN-UHFFFAOYSA-N -1 0 310.335 -0.282 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cccc(=O)[nH]1 ZINC001028464176 670801133 /nfs/dbraw/zinc/80/11/33/670801133.db2.gz MJMGITBCOJTTTF-SECBINFHSA-N -1 0 318.337 -0.137 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)C(=O)c3cnon3)C2)c1[O-] ZINC000937161617 670802810 /nfs/dbraw/zinc/80/28/10/670802810.db2.gz LZUYWLXYJDRVDS-QMMMGPOBSA-N -1 0 320.309 -0.207 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982627284 670832062 /nfs/dbraw/zinc/83/20/62/670832062.db2.gz WEKKCIKLZIEZNX-IPQKIJNHSA-N -1 0 321.337 -0.173 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](CNC(=O)c3cnon3)C2)c1[O-] ZINC000982646984 670838984 /nfs/dbraw/zinc/83/89/84/670838984.db2.gz RVTXVWZQMWLRJI-QMMMGPOBSA-N -1 0 320.309 -0.301 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCC(=O)N1 ZINC001028616288 670887229 /nfs/dbraw/zinc/88/72/29/670887229.db2.gz NSNYXSQGIGRPKL-NXEZZACHSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1COc2ccccc21 ZINC000747757166 670890929 /nfs/dbraw/zinc/89/09/29/670890929.db2.gz MIGQCYUTTLWHIE-LLVKDONJSA-N -1 0 312.347 -0.144 20 0 DBADRM O=C(NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCC1 ZINC000983033794 670929024 /nfs/dbraw/zinc/92/90/24/670929024.db2.gz RIKOYXSPIJAKEC-MRVPVSSYSA-N -1 0 321.337 -0.339 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001028751922 671024992 /nfs/dbraw/zinc/02/49/92/671024992.db2.gz DPQDBNLOKZQDQX-UXCLJVHYSA-N -1 0 307.354 -0.659 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1csc(=O)[nH]1 ZINC001028754324 671026842 /nfs/dbraw/zinc/02/68/42/671026842.db2.gz CILKVAJFZDUVJO-SSDOTTSWSA-N -1 0 324.366 -0.076 20 0 DBADRM Cc1ncc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC001028762682 671030760 /nfs/dbraw/zinc/03/07/60/671030760.db2.gz SPUAOMCUCIYOAK-JTQLQIEISA-N -1 0 319.369 -0.196 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028810964 671057232 /nfs/dbraw/zinc/05/72/32/671057232.db2.gz GDBNQLMVAIGITH-SCVCMEIPSA-N -1 0 309.370 -0.127 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028810963 671057703 /nfs/dbraw/zinc/05/77/03/671057703.db2.gz GDBNQLMVAIGITH-FOGDFJRCSA-N -1 0 309.370 -0.127 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCn1ccc(C(F)(F)F)n1 ZINC000923973587 671058199 /nfs/dbraw/zinc/05/81/99/671058199.db2.gz QPMQRRNSKFVBGJ-UHFFFAOYSA-N -1 0 309.248 -0.121 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cccnn1 ZINC001028885422 671086372 /nfs/dbraw/zinc/08/63/72/671086372.db2.gz WKAKMZLDEKXCGB-VIFPVBQESA-N -1 0 303.326 -0.448 20 0 DBADRM CC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000983406250 671127863 /nfs/dbraw/zinc/12/78/63/671127863.db2.gz VWMJJWBJGHMPLW-NXEZZACHSA-N -1 0 308.338 -0.337 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC000983471635 671162878 /nfs/dbraw/zinc/16/28/78/671162878.db2.gz ALIJSNKJMVNJJX-KYZUINATSA-N -1 0 305.342 -0.458 20 0 DBADRM Cc1nc[nH]c1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001029025932 671171592 /nfs/dbraw/zinc/17/15/92/671171592.db2.gz JTGKNJSFCNYGCX-VIFPVBQESA-N -1 0 305.342 -0.206 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H](NC(=O)C(N)=O)C2)c1[O-] ZINC000983583304 671190935 /nfs/dbraw/zinc/19/09/35/671190935.db2.gz YMGXWUYXPNWKOY-HTQZYQBOSA-N -1 0 309.326 -0.934 20 0 DBADRM O=C(c1cnccn1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029194302 671270240 /nfs/dbraw/zinc/27/02/40/671270240.db2.gz BEPKCGSOURHXJL-AOOOYVTPSA-N -1 0 315.337 -0.211 20 0 DBADRM O=C([C@H]1COCCO1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029221173 671276968 /nfs/dbraw/zinc/27/69/68/671276968.db2.gz LZCDODZHRJYECL-OUAUKWLOSA-N -1 0 323.353 -0.899 20 0 DBADRM O=C(c1cc[nH]n1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029222445 671277427 /nfs/dbraw/zinc/27/74/27/671277427.db2.gz VMFRMEQGFFARPE-DTORHVGOSA-N -1 0 303.326 -0.278 20 0 DBADRM O=C([C@@H]1CCOC1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029236424 671283749 /nfs/dbraw/zinc/28/37/49/671283749.db2.gz PZDUULXVQUMVJE-MXWKQRLJSA-N -1 0 307.354 -0.278 20 0 DBADRM CC[C@H](CO)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000909434963 671288871 /nfs/dbraw/zinc/28/88/71/671288871.db2.gz WQNTXSKVINOYFE-MNOVXSKESA-N -1 0 300.355 -0.214 20 0 DBADRM Cc1nccn1CC(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000909435323 671289320 /nfs/dbraw/zinc/28/93/20/671289320.db2.gz ZRCNHUVMLOZKDL-GFCCVEGCSA-N -1 0 322.365 -0.027 20 0 DBADRM Cn1cnc(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2n[nH]c(=O)[n-]2)c1 ZINC001029269904 671292739 /nfs/dbraw/zinc/29/27/39/671292739.db2.gz DBYUMUSWUIJNRW-AOOOYVTPSA-N -1 0 317.353 -0.267 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000732521980 677364042 /nfs/dbraw/zinc/36/40/42/677364042.db2.gz ZWUZPQPVMVRHIK-SECBINFHSA-N -1 0 306.384 -0.274 20 0 DBADRM CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000983961162 671305414 /nfs/dbraw/zinc/30/54/14/671305414.db2.gz JFSHISXVDOOQKG-KOLCDFICSA-N -1 0 322.365 -0.137 20 0 DBADRM COCCOCC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262136051 671314700 /nfs/dbraw/zinc/31/47/00/671314700.db2.gz HYGQKXHDZHQCTH-NSHDSACASA-N -1 0 316.354 -0.569 20 0 DBADRM Cn1cncc1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029381091 671326577 /nfs/dbraw/zinc/32/65/77/671326577.db2.gz BTRKZBWHVSEFRI-AOOOYVTPSA-N -1 0 317.353 -0.267 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000909496664 671328665 /nfs/dbraw/zinc/32/86/65/671328665.db2.gz IBHMKDLEOXXRCS-JTQLQIEISA-N -1 0 321.399 -0.420 20 0 DBADRM CCC[C@@H](NC(=O)CNS(=O)(=O)CCCOC)C(=O)[O-] ZINC000262218385 671347955 /nfs/dbraw/zinc/34/79/55/671347955.db2.gz ZKOGLNMJQJWAPF-SECBINFHSA-N -1 0 310.372 -0.688 20 0 DBADRM CN(C(=O)C1CC1)[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000984448733 671350385 /nfs/dbraw/zinc/35/03/85/671350385.db2.gz AKRSYQPETDZHEG-SNVBAGLBSA-N -1 0 323.353 -0.451 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCOC12CCOCC2 ZINC000895569934 671359763 /nfs/dbraw/zinc/35/97/63/671359763.db2.gz ANXGJQGEYHFQNR-SNVBAGLBSA-N -1 0 301.343 -0.309 20 0 DBADRM CCN1CCN(CC(=O)[N-]OCc2ccccn2)C(=O)C1=O ZINC000909526746 671365186 /nfs/dbraw/zinc/36/51/86/671365186.db2.gz PVHCNPROSBUBBM-UHFFFAOYSA-N -1 0 306.322 -0.680 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000732606454 677366177 /nfs/dbraw/zinc/36/61/77/677366177.db2.gz GSOZKUOHWFGMQX-LURJTMIESA-N -1 0 305.385 -0.046 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000732607916 677366417 /nfs/dbraw/zinc/36/64/17/677366417.db2.gz SLRIKPQVGWLSCD-LLVKDONJSA-N -1 0 324.362 -0.428 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC000984869533 671430792 /nfs/dbraw/zinc/43/07/92/671430792.db2.gz HHLAFDPNNLKUKR-XYPYZODXSA-N -1 0 319.369 -0.300 20 0 DBADRM O=C(CCN1CCCC1=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000727955727 671431087 /nfs/dbraw/zinc/43/10/87/671431087.db2.gz OUDNLNBEUPOXTI-UHFFFAOYSA-N -1 0 303.384 -0.154 20 0 DBADRM Cc1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1S(C)(=O)=O ZINC000262382654 671446185 /nfs/dbraw/zinc/44/61/85/671446185.db2.gz KREWPWPGTIITAU-ZDUSSCGKSA-N -1 0 315.347 -0.036 20 0 DBADRM C[C@H]1CN(C(=O)C23CC(C(=O)[O-])(C2)C3)CCN1S(C)(=O)=O ZINC000909563978 671448616 /nfs/dbraw/zinc/44/86/16/671448616.db2.gz ZKSNZEYACQZKAZ-ALXWSUNGSA-N -1 0 316.379 -0.266 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C3(CO)CCOCC3)C[C@H]1COCC2 ZINC000909564263 671448935 /nfs/dbraw/zinc/44/89/35/671448935.db2.gz CRVVPZJQKOBDLV-XHDPSFHLSA-N -1 0 313.350 -0.275 20 0 DBADRM CC(C)C(=O)N1CCCC[C@H]1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262426422 671452920 /nfs/dbraw/zinc/45/29/20/671452920.db2.gz BCXKYEFHPFMGEF-HZMBPMFUSA-N -1 0 300.355 -0.025 20 0 DBADRM CC[S@@](=O)CC(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869490000 671455382 /nfs/dbraw/zinc/45/53/82/671455382.db2.gz RCWOZKSRKKESQW-HXUWFJFHSA-N -1 0 317.285 -0.064 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1CC ZINC000985222684 671455673 /nfs/dbraw/zinc/45/56/73/671455673.db2.gz UYLJLYLRJFQZCT-DTWKUNHWSA-N -1 0 311.342 -0.405 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000262450388 671455746 /nfs/dbraw/zinc/45/57/46/671455746.db2.gz HFZKJBAKXMYDMP-SECBINFHSA-N -1 0 316.379 -0.264 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC000262470102 671458894 /nfs/dbraw/zinc/45/88/94/671458894.db2.gz ZSBUVXXTIUOTHU-VIFPVBQESA-N -1 0 313.335 -0.457 20 0 DBADRM CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262472725 671459107 /nfs/dbraw/zinc/45/91/07/671459107.db2.gz ZHIKZSJESZXYFS-PELKAZGASA-N -1 0 304.368 -0.360 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000728519590 671459203 /nfs/dbraw/zinc/45/92/03/671459203.db2.gz LWVHBUJIZASSJM-WCQYABFASA-N -1 0 313.354 -0.312 20 0 DBADRM C[C@](O)(CNC(=O)c1cccnc1N1CCOCC1)C(=O)[O-] ZINC000262495834 671466233 /nfs/dbraw/zinc/46/62/33/671466233.db2.gz JZUNYZLABZNAQJ-AWEZNQCLSA-N -1 0 309.322 -0.516 20 0 DBADRM C[C@](O)(CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000262502399 671470564 /nfs/dbraw/zinc/47/05/64/671470564.db2.gz KTTCZVNUSFYTCJ-AWEZNQCLSA-N -1 0 321.289 -0.946 20 0 DBADRM O=C(Cn1ccnc1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029607921 671471388 /nfs/dbraw/zinc/47/13/88/671471388.db2.gz XIRXBNDDKTYTLL-PHIMTYICSA-N -1 0 317.353 -0.418 20 0 DBADRM CCn1c(S)nnc1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000751465087 671472601 /nfs/dbraw/zinc/47/26/01/671472601.db2.gz FMXXYTIPOKHDNZ-UHFFFAOYSA-N -1 0 310.339 -0.684 20 0 DBADRM Cn1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001029642665 671476111 /nfs/dbraw/zinc/47/61/11/671476111.db2.gz HXELIEWCJOMWIU-SNVBAGLBSA-N -1 0 319.369 -0.162 20 0 DBADRM C[N@@H+](Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001029760104 671495665 /nfs/dbraw/zinc/49/56/65/671495665.db2.gz GYFORCWWVVZURO-VIFPVBQESA-N -1 0 324.385 -0.698 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000797306578 671499187 /nfs/dbraw/zinc/49/91/87/671499187.db2.gz PYSUSDKAGVBTKH-XHNCKOQMSA-N -1 0 305.352 -0.001 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC000262557945 671502578 /nfs/dbraw/zinc/50/25/78/671502578.db2.gz VLKXNLSJROOUSO-GFCCVEGCSA-N -1 0 316.335 -0.840 20 0 DBADRM Cn1c2ccccc2n(CC(=O)NC[C@@](C)(O)C(=O)[O-])c1=O ZINC000262564217 671505936 /nfs/dbraw/zinc/50/59/36/671505936.db2.gz XJUNPSIBTUMYAO-CQSZACIVSA-N -1 0 307.306 -0.708 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925168279 671506325 /nfs/dbraw/zinc/50/63/25/671506325.db2.gz FZOWLWWOHCAKCX-VHSXEESVSA-N -1 0 302.400 -0.457 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)NC[C@@](C)(O)C(=O)[O-])C1=O ZINC000262563563 671506418 /nfs/dbraw/zinc/50/64/18/671506418.db2.gz XDKZQECYXFTKAU-GFCCVEGCSA-N -1 0 315.326 -0.951 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CN3CCCCCC3=O)C2)nn1 ZINC000320805365 671534788 /nfs/dbraw/zinc/53/47/88/671534788.db2.gz QCMWGPFZIXSRED-UHFFFAOYSA-N -1 0 321.337 -0.238 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000342461680 671538052 /nfs/dbraw/zinc/53/80/52/671538052.db2.gz AHXCKPGBHLEGMH-VHSXEESVSA-N -1 0 302.352 -0.390 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000342461670 671538060 /nfs/dbraw/zinc/53/80/60/671538060.db2.gz AHXCKPGBHLEGMH-NXEZZACHSA-N -1 0 302.352 -0.390 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000798199344 671539148 /nfs/dbraw/zinc/53/91/48/671539148.db2.gz CJRFJSKUIPEFNO-SSDOTTSWSA-N -1 0 302.308 -0.994 20 0 DBADRM C[N@@H+](Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001029876845 671548910 /nfs/dbraw/zinc/54/89/10/671548910.db2.gz KUIHUYVKVKKOSI-JTQLQIEISA-N -1 0 319.369 -0.244 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NCc3nncn3C)[C@H]2C)c1[O-] ZINC000986157573 671568988 /nfs/dbraw/zinc/56/89/88/671568988.db2.gz IWYCPBVCOULPBH-NXEZZACHSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NCc3ncnn3C)[C@@H]2C)c1[O-] ZINC000986163651 671569677 /nfs/dbraw/zinc/56/96/77/671569677.db2.gz XPOLXFUIANIKKQ-VHSXEESVSA-N -1 0 319.369 -0.055 20 0 DBADRM O=C(CN1CCCS1(=O)=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000262772800 671579105 /nfs/dbraw/zinc/57/91/05/671579105.db2.gz LMKJDSGRNLNDHR-ONGXEEELSA-N -1 0 320.367 -0.982 20 0 DBADRM C[C@H]1[C@H](NCc2cnon2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000986489082 671596919 /nfs/dbraw/zinc/59/69/19/671596919.db2.gz SDADDPPVGMRQRD-POYBYMJQSA-N -1 0 321.297 -0.941 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)[C@@H]2COCCO2)cc1 ZINC000262918074 671600021 /nfs/dbraw/zinc/60/00/21/671600021.db2.gz DNHYBDVGCRAYNQ-LBPRGKRZSA-N -1 0 322.317 -0.216 20 0 DBADRM C[N@@H+](Cc1n[nH]c(=O)[n-]1)CC1CCN(C(=O)CC(N)=O)CC1 ZINC001029948525 671600469 /nfs/dbraw/zinc/60/04/69/671600469.db2.gz MXYDLTVDXOZUBG-UHFFFAOYSA-N -1 0 310.358 -0.944 20 0 DBADRM CC[C@H](CS(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])OC ZINC000263093767 671629422 /nfs/dbraw/zinc/62/94/22/671629422.db2.gz JCOMAMGTJHVSSI-GXSJLCMTSA-N -1 0 324.399 -0.348 20 0 DBADRM C[C@H](NC(=O)c1ncccc1O)C1CCN(C(=O)C(N)=O)CC1 ZINC000986980821 671631678 /nfs/dbraw/zinc/63/16/78/671631678.db2.gz PUAPCFMZCCDPDC-VIFPVBQESA-N -1 0 320.349 -0.371 20 0 DBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)CC(C)C)CC1=O ZINC000729095945 671634193 /nfs/dbraw/zinc/63/41/93/671634193.db2.gz WRUBRKKIHOCCQJ-SNVBAGLBSA-N -1 0 306.384 -0.417 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000729096491 671634384 /nfs/dbraw/zinc/63/43/84/671634384.db2.gz JWIBENFMFFAVII-VHSXEESVSA-N -1 0 306.384 -0.084 20 0 DBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000729190899 671646174 /nfs/dbraw/zinc/64/61/74/671646174.db2.gz DUEBRYQCGNXRHA-UHFFFAOYSA-N -1 0 308.747 -0.643 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C2CC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987184890 671656361 /nfs/dbraw/zinc/65/63/61/671656361.db2.gz OTRQESWIMUIDQW-SVRRBLITSA-N -1 0 307.310 -0.588 20 0 DBADRM CC(C)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC000987363716 671677648 /nfs/dbraw/zinc/67/76/48/671677648.db2.gz NXGVQGSVFHUFEA-SFYZADRCSA-N -1 0 309.326 -0.342 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC000263299705 671681089 /nfs/dbraw/zinc/68/10/89/671681089.db2.gz GKRTVWRKKBOBRB-DTWKUNHWSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@@H]1[C@@H](NCc2ccon2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987419202 671685104 /nfs/dbraw/zinc/68/51/04/671685104.db2.gz CEIXVGYNKFNEDB-SCZZXKLOSA-N -1 0 322.325 -0.544 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NCCCC(=O)[O-] ZINC000263370538 671692597 /nfs/dbraw/zinc/69/25/97/671692597.db2.gz MSLKUUUVGWAMMS-NXEZZACHSA-N -1 0 321.399 -0.132 20 0 DBADRM Cc1nccn1CC(=O)N1CC[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000987532843 671697382 /nfs/dbraw/zinc/69/73/82/671697382.db2.gz SADPAVFWVPEMHN-KOLCDFICSA-N -1 0 319.369 -0.206 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)nn1 ZINC000321663157 671725080 /nfs/dbraw/zinc/72/50/80/671725080.db2.gz RFGDQIJEMFQWSF-UHFFFAOYSA-N -1 0 321.253 -0.836 20 0 DBADRM CC(=O)N(C)C[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000988178611 671753727 /nfs/dbraw/zinc/75/37/27/671753727.db2.gz PKLXUIDREBQWJM-SNVBAGLBSA-N -1 0 308.338 -0.574 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1C ZINC001038107836 671779101 /nfs/dbraw/zinc/77/91/01/671779101.db2.gz QAYKCUYJXNTJGR-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM C[C@@H]1C[C@@H](NCc2nc(=O)n(C)[nH]2)CN1C(=O)C(=O)C(C)(C)C ZINC000988376772 671786087 /nfs/dbraw/zinc/78/60/87/671786087.db2.gz QTKMXYQPPVUPIZ-NXEZZACHSA-N -1 0 323.397 -0.197 20 0 DBADRM C[C@@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)Cc1cc[nH]n1 ZINC000988447666 671802604 /nfs/dbraw/zinc/80/26/04/671802604.db2.gz KFLODTVNSXKVIV-PSASIEDQSA-N -1 0 305.342 -0.445 20 0 DBADRM CC(C)C(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000937694152 671805137 /nfs/dbraw/zinc/80/51/37/671805137.db2.gz AYSQKFHNGPVUBZ-VIFPVBQESA-N -1 0 308.338 -0.527 20 0 DBADRM CCOC(=O)C1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCC1 ZINC000800551443 671809029 /nfs/dbraw/zinc/80/90/29/671809029.db2.gz FYDVCTGAMZLHCB-UHFFFAOYSA-N -1 0 320.367 -0.698 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C[C@@H]2C)c1[O-] ZINC000988636958 671814477 /nfs/dbraw/zinc/81/44/77/671814477.db2.gz SSYOEQCGXMSUDV-POYBYMJQSA-N -1 0 321.341 -0.360 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCOC3)C2)c1[O-] ZINC000937729630 671816246 /nfs/dbraw/zinc/81/62/46/671816246.db2.gz CNSKKICIFQVTPT-ZJUUUORDSA-N -1 0 308.338 -0.209 20 0 DBADRM CC1CC(C(=O)N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000937807446 671837341 /nfs/dbraw/zinc/83/73/41/671837341.db2.gz MAXXLWMWHFYSIK-RTBKNWGFSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)c1[O-] ZINC000937833066 671840168 /nfs/dbraw/zinc/84/01/68/671840168.db2.gz WMQGDLMDUCQVIA-UWVGGRQHSA-N -1 0 324.337 -0.830 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)c1[O-] ZINC000937831106 671840194 /nfs/dbraw/zinc/84/01/94/671840194.db2.gz CKNCQKKFGQSLKB-DTWKUNHWSA-N -1 0 321.337 -0.967 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)Cn3cncn3)C2)c1[O-] ZINC000937836704 671840721 /nfs/dbraw/zinc/84/07/21/671840721.db2.gz RQVXJNULQJAKTO-VIFPVBQESA-N -1 0 319.325 -0.954 20 0 DBADRM CC1(C)C[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000937838682 671842328 /nfs/dbraw/zinc/84/23/28/671842328.db2.gz JGAKYQAVVPPXTR-YUMQZZPRSA-N -1 0 321.337 -0.340 20 0 DBADRM CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)c1nnn[n-]1 ZINC000343722028 671855055 /nfs/dbraw/zinc/85/50/55/671855055.db2.gz HBJFXWCRSDASSA-PSASIEDQSA-N -1 0 318.341 -0.067 20 0 DBADRM CC[C@H](C(=O)[O-])N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000262409799 671869132 /nfs/dbraw/zinc/86/91/32/671869132.db2.gz PDNQDLHWGXMZNM-LLVKDONJSA-N -1 0 321.399 -0.956 20 0 DBADRM CCN(CC(=O)[O-])C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000262606893 671872151 /nfs/dbraw/zinc/87/21/51/671872151.db2.gz ANGUFFNMADFQDN-UHFFFAOYSA-N -1 0 304.324 -0.125 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)CC1CC1 ZINC000989115100 671879461 /nfs/dbraw/zinc/87/94/61/671879461.db2.gz XNJMGMHLEXKIFF-APPZFPTMSA-N -1 0 321.337 -0.198 20 0 DBADRM CC(C)=CC(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC000989113988 671879530 /nfs/dbraw/zinc/87/95/30/671879530.db2.gz OGGWQLQSDJAGKF-BDAKNGLRSA-N -1 0 321.337 -0.032 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cn2ccnc2s1 ZINC000785902583 671996679 /nfs/dbraw/zinc/99/66/79/671996679.db2.gz LFKLDPNDLLWSSQ-UHFFFAOYSA-N -1 0 312.336 -0.357 20 0 DBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000729890769 672496769 /nfs/dbraw/zinc/49/67/69/672496769.db2.gz NVAHLXOTWRNVRX-SECBINFHSA-N -1 0 305.356 -0.333 20 0 DBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000729890770 672496811 /nfs/dbraw/zinc/49/68/11/672496811.db2.gz NVAHLXOTWRNVRX-VIFPVBQESA-N -1 0 305.356 -0.333 20 0 DBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000729901677 672496849 /nfs/dbraw/zinc/49/68/49/672496849.db2.gz IACFSBDBHAJBAP-UHFFFAOYSA-N -1 0 311.363 -0.112 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000729915913 672497990 /nfs/dbraw/zinc/49/79/90/672497990.db2.gz NLYKCBRLOUUNDE-VIFPVBQESA-N -1 0 306.388 -0.522 20 0 DBADRM C[C@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)c1ccnnc1 ZINC000989481042 672553647 /nfs/dbraw/zinc/55/36/47/672553647.db2.gz NFGLMWUWBGOZRR-WCBMZHEXSA-N -1 0 303.326 -0.307 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccco1 ZINC000990077098 672643690 /nfs/dbraw/zinc/64/36/90/672643690.db2.gz KGOQRHKZBPDEMT-UHFFFAOYSA-N -1 0 305.250 -0.870 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCCCC1 ZINC000990091908 672644390 /nfs/dbraw/zinc/64/43/90/672644390.db2.gz JKLBOWRZGDRCMX-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000990129736 672652578 /nfs/dbraw/zinc/65/25/78/672652578.db2.gz QOCXULMQHZHXKP-VXNVDRBHSA-N -1 0 321.337 -0.802 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cnsn3)C2)c1[O-] ZINC000990332551 672737933 /nfs/dbraw/zinc/73/79/33/672737933.db2.gz KSCNIKWUQPOYKG-UHFFFAOYSA-N -1 0 308.323 -0.470 20 0 DBADRM CCO[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000990326662 672742039 /nfs/dbraw/zinc/74/20/39/672742039.db2.gz FJHHUVBMNDCDMB-ZJUUUORDSA-N -1 0 308.338 -0.211 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000866674855 672755252 /nfs/dbraw/zinc/75/52/52/672755252.db2.gz FLMXFVIVLAMOHF-VHSXEESVSA-N -1 0 311.429 -0.588 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnoc1C1CC1 ZINC001031190477 677340415 /nfs/dbraw/zinc/34/04/15/677340415.db2.gz BNCMSPVYZOLOAE-UHFFFAOYSA-N -1 0 304.310 -0.010 20 0 DBADRM C[C@@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 ZINC000731477026 677342246 /nfs/dbraw/zinc/34/22/46/677342246.db2.gz OJBRSXFNEZQOQG-ZCFIWIBFSA-N -1 0 302.274 -0.690 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000731855052 677346005 /nfs/dbraw/zinc/34/60/05/677346005.db2.gz ORGLOQZUHRNTSX-DCAQKATOSA-N -1 0 311.342 -0.316 20 0 DBADRM O=C(c1ccc2n[nH]nc2c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000731855579 677346055 /nfs/dbraw/zinc/34/60/55/677346055.db2.gz UPJXAJHBBFJJAY-JTQLQIEISA-N -1 0 300.282 -0.315 20 0 DBADRM C[C@@]1(c2cccc(NC(=O)c3cc(=O)[nH][n-]3)c2)NC(=O)NC1=O ZINC000731869852 677346409 /nfs/dbraw/zinc/34/64/09/677346409.db2.gz PNOWBJJTRIPQSN-AWEZNQCLSA-N -1 0 315.289 -0.444 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000731863848 677346561 /nfs/dbraw/zinc/34/65/61/677346561.db2.gz HDNLRLWGJHAIOM-UHFFFAOYSA-N -1 0 300.318 -0.153 20 0 DBADRM COc1ccc(OC)c([C@@H](O)CNC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000731868864 677346678 /nfs/dbraw/zinc/34/66/78/677346678.db2.gz AFNMLKGAYXVTBZ-NSHDSACASA-N -1 0 307.306 -0.271 20 0 DBADRM Cc1ccc(C(=O)NCCNC(=O)c2cc(=O)[nH][n-]2)cc1F ZINC000731867934 677346709 /nfs/dbraw/zinc/34/67/09/677346709.db2.gz CXLQCTDVPFUJQS-UHFFFAOYSA-N -1 0 306.297 -0.144 20 0 DBADRM CCCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CC(=O)OC ZINC000731921188 677347793 /nfs/dbraw/zinc/34/77/93/677347793.db2.gz OMYJZVKBKQAMLT-SECBINFHSA-N -1 0 320.367 -0.604 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001031214180 677348629 /nfs/dbraw/zinc/34/86/29/677348629.db2.gz WTLAZKSDXWICKC-SECBINFHSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732091587 677350700 /nfs/dbraw/zinc/35/07/00/677350700.db2.gz KAHKWSLNMCRCLG-PSASIEDQSA-N -1 0 306.326 -0.890 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732090615 677350761 /nfs/dbraw/zinc/35/07/61/677350761.db2.gz YKIYAVASOXOGKK-IUCAKERBSA-N -1 0 310.358 -0.350 20 0 DBADRM O=C(N1CCO[C@H](c2nnn[n-]2)C1)[C@@]12CCC(=O)N1CCS2 ZINC000732091032 677350772 /nfs/dbraw/zinc/35/07/72/677350772.db2.gz YFQNVQJHQUUVCE-UFBFGSQYSA-N -1 0 324.366 -0.835 20 0 DBADRM CC[C@@H]1CCCN1C(=O)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031225163 677352364 /nfs/dbraw/zinc/35/23/64/677352364.db2.gz UNRPWXXDZFGOLG-SNVBAGLBSA-N -1 0 322.369 -0.788 20 0 DBADRM CS(=O)(=O)CCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000732272862 677352722 /nfs/dbraw/zinc/35/27/22/677352722.db2.gz PWOAMUPCPKZJNJ-UHFFFAOYSA-N -1 0 311.319 -0.196 20 0 DBADRM Cn1cccc1C(=O)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000732272522 677352773 /nfs/dbraw/zinc/35/27/73/677352773.db2.gz JOMBAHAOLPRHOB-UHFFFAOYSA-N -1 0 303.322 -0.815 20 0 DBADRM COc1ccc(CN(CCO)C(=O)c2cc(=O)[nH][n-]2)c(OC)c1 ZINC000732305375 677352847 /nfs/dbraw/zinc/35/28/47/677352847.db2.gz KTOBHNKDRKIPIT-UHFFFAOYSA-N -1 0 321.333 -0.099 20 0 DBADRM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000732284273 677352989 /nfs/dbraw/zinc/35/29/89/677352989.db2.gz NSLVUJFWPNRERM-MRVPVSSYSA-N -1 0 324.362 -0.352 20 0 DBADRM O=C(CNC(=O)c1cc(=O)[nH][n-]1)N1CCCc2ccccc21 ZINC000732278244 677353005 /nfs/dbraw/zinc/35/30/05/677353005.db2.gz YPOCTLNKCQTAFB-UHFFFAOYSA-N -1 0 300.318 -0.042 20 0 DBADRM COc1cccc(N2C[C@H](NC(=O)c3cc(=O)[nH][n-]3)CC2=O)c1 ZINC000732282550 677353037 /nfs/dbraw/zinc/35/30/37/677353037.db2.gz PVCCABOIAXTCKS-SECBINFHSA-N -1 0 316.317 -0.207 20 0 DBADRM CCN(C1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1)S(C)(=O)=O ZINC000732290414 677353242 /nfs/dbraw/zinc/35/32/42/677353242.db2.gz PDIVZRJIAVXCOT-UHFFFAOYSA-N -1 0 316.383 -0.865 20 0 DBADRM COC(=O)c1ccc(OCCNC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000732290100 677353277 /nfs/dbraw/zinc/35/32/77/677353277.db2.gz INUOSPLJYSGEMS-UHFFFAOYSA-N -1 0 305.290 -0.156 20 0 DBADRM Cc1nc(CN2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)oc1C ZINC000732285989 677353287 /nfs/dbraw/zinc/35/32/87/677353287.db2.gz LYWMLPUUVXJCQB-UHFFFAOYSA-N -1 0 305.338 -0.188 20 0 DBADRM Cn1nc2c(c1C(=O)NC1CN(Cc3n[nH]c(=O)[n-]3)C1)CCC2 ZINC001031247062 677361491 /nfs/dbraw/zinc/36/14/91/677361491.db2.gz XZIGHNZYFRHRAK-UHFFFAOYSA-N -1 0 317.353 -0.653 20 0 DBADRM CC(C)CCS(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000732513421 677362018 /nfs/dbraw/zinc/36/20/18/677362018.db2.gz RVYBSVQNLRFLHB-UHFFFAOYSA-N -1 0 317.367 -0.961 20 0 DBADRM CN1CCCC[C@@H](C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1=O ZINC001031247991 677362194 /nfs/dbraw/zinc/36/21/94/677362194.db2.gz FUBPADMZHPFORB-JTQLQIEISA-N -1 0 322.369 -0.931 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C ZINC000732510744 677362408 /nfs/dbraw/zinc/36/24/08/677362408.db2.gz CWZBPDJPVCXSJO-MRVPVSSYSA-N -1 0 322.412 -0.222 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCc2n[nH]cc2C1 ZINC001031248758 677362541 /nfs/dbraw/zinc/36/25/41/677362541.db2.gz PZPOWLKHVXNAAM-MRVPVSSYSA-N -1 0 317.353 -0.661 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000732521416 677363616 /nfs/dbraw/zinc/36/36/16/677363616.db2.gz OOHRMKSZRCVSOL-LLVKDONJSA-N -1 0 318.395 -0.273 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(NC(N)=O)cc1 ZINC000732520707 677363747 /nfs/dbraw/zinc/36/37/47/677363747.db2.gz JMUXNALYRMLQFL-UHFFFAOYSA-N -1 0 301.324 -0.117 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000732523808 677363946 /nfs/dbraw/zinc/36/39/46/677363946.db2.gz YDYUGSWETGYCOF-GZMMTYOYSA-N -1 0 322.408 -0.467 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000732523811 677363952 /nfs/dbraw/zinc/36/39/52/677363952.db2.gz YDYUGSWETGYCOF-LDYMZIIASA-N -1 0 322.408 -0.467 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000732523007 677364123 /nfs/dbraw/zinc/36/41/23/677364123.db2.gz SAKFPUOGVCQDFQ-SNVBAGLBSA-N -1 0 314.363 -0.103 20 0 DBADRM CC[C@H](C(N)=O)N1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001031251673 677364887 /nfs/dbraw/zinc/36/48/87/677364887.db2.gz UTODMQOYFHTEKH-SECBINFHSA-N -1 0 319.321 -0.394 20 0 DBADRM O=C(NC1CN([C@@H]2CCNC2=O)C1)c1ccc2oc(=O)nc-2[n-]1 ZINC001031251431 677365014 /nfs/dbraw/zinc/36/50/14/677365014.db2.gz KPHVZBHJNPXFPO-SECBINFHSA-N -1 0 317.305 -0.769 20 0 DBADRM C[C@@H](C(N)=O)N1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001031251771 677365324 /nfs/dbraw/zinc/36/53/24/677365324.db2.gz XUPZIDWGPVTNEU-LURJTMIESA-N -1 0 305.294 -0.784 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cocn2)s1 ZINC000732616865 677366406 /nfs/dbraw/zinc/36/64/06/677366406.db2.gz AJNHJZWGNYRNNR-UHFFFAOYSA-N -1 0 301.305 -0.046 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000732606006 677366437 /nfs/dbraw/zinc/36/64/37/677366437.db2.gz YEFJHWHYANXXKA-MRVPVSSYSA-N -1 0 317.367 -0.295 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@]34C[C@H]3COC4)C2)c1[O-] ZINC000993474733 677376631 /nfs/dbraw/zinc/37/66/31/677376631.db2.gz BYPMJNRHKBFCRZ-RTHLEPHNSA-N -1 0 306.322 -0.599 20 0 DBADRM C[C@@H]1[C@H](NC(=O)c2cnon2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994046527 677401884 /nfs/dbraw/zinc/40/18/84/677401884.db2.gz XWLJUAOXEUSNOV-HTQZYQBOSA-N -1 0 307.314 -0.324 20 0 DBADRM COC1CC(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC000994088087 677404272 /nfs/dbraw/zinc/40/42/72/677404272.db2.gz CBWRMYIYWROVFC-UHFFFAOYSA-N -1 0 308.338 -0.211 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn2cc[nH]c12 ZINC001031310102 677412796 /nfs/dbraw/zinc/41/27/96/677412796.db2.gz LUNFOONHTYMZPX-UHFFFAOYSA-N -1 0 302.298 -0.900 20 0 DBADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)c1 ZINC000153838157 677414032 /nfs/dbraw/zinc/41/40/32/677414032.db2.gz XULUCWFZWSOZJQ-UHFFFAOYSA-N -1 0 324.362 -0.296 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(Cc2ccc(F)cc2)C1 ZINC001031314911 677416534 /nfs/dbraw/zinc/41/65/34/677416534.db2.gz OTSQOZPMQBZMDC-UHFFFAOYSA-N -1 0 321.312 -0.171 20 0 DBADRM Cc1nc(CN2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)cs1 ZINC001031314613 677416555 /nfs/dbraw/zinc/41/65/55/677416555.db2.gz CASLYKDILLFSIN-UHFFFAOYSA-N -1 0 324.366 -0.545 20 0 DBADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC000154086870 677417967 /nfs/dbraw/zinc/41/79/67/677417967.db2.gz WDJXSFNMXDAZLI-SECBINFHSA-N -1 0 304.372 -0.536 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cn2cncn2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994360348 677423249 /nfs/dbraw/zinc/42/32/49/677423249.db2.gz AIAHHZKMTQFDDQ-VHSXEESVSA-N -1 0 320.357 -0.729 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCn1cnc2sccc2c1=O ZINC000916765787 677424475 /nfs/dbraw/zinc/42/44/75/677424475.db2.gz HAARZHBYRPJHHM-UHFFFAOYSA-N -1 0 301.349 -0.076 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cn2ccccc2n1 ZINC001031346666 677426282 /nfs/dbraw/zinc/42/62/82/677426282.db2.gz ALLQGVAKURFZKL-UHFFFAOYSA-N -1 0 313.321 -0.228 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H](C)C(=O)[O-] ZINC000917717540 677445722 /nfs/dbraw/zinc/44/57/22/677445722.db2.gz JBYSSEAGGIPLGM-LURJTMIESA-N -1 0 305.312 -0.354 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000918284288 677454376 /nfs/dbraw/zinc/45/43/76/677454376.db2.gz PNLVJJJAQLNOFR-SNVBAGLBSA-N -1 0 324.312 -0.092 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000918284287 677454571 /nfs/dbraw/zinc/45/45/71/677454571.db2.gz PNLVJJJAQLNOFR-JTQLQIEISA-N -1 0 324.312 -0.092 20 0 DBADRM O=C(NCCS(=O)(=O)Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC000918321983 677454778 /nfs/dbraw/zinc/45/47/78/677454778.db2.gz BDLISFNNUGAXLD-UHFFFAOYSA-N -1 0 310.335 -0.145 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC12CCOCC2 ZINC001031493773 677457905 /nfs/dbraw/zinc/45/79/05/677457905.db2.gz GOTWIPOLIBIGPO-JTQLQIEISA-N -1 0 307.354 -0.373 20 0 DBADRM Cn1[nH]c(CN2CC(CNC(=O)c3cncs3)C2)nc1=O ZINC001031566853 677470095 /nfs/dbraw/zinc/47/00/95/677470095.db2.gz DFPILAZAVGSLKB-UHFFFAOYSA-N -1 0 308.367 -0.573 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C ZINC000919380420 677474268 /nfs/dbraw/zinc/47/42/68/677474268.db2.gz FPEICQUWFKZKAR-NXEZZACHSA-N -1 0 300.359 -0.247 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)[C@]12CCC(=O)N1CCS2 ZINC000919670335 677478430 /nfs/dbraw/zinc/47/84/30/677478430.db2.gz PMYDUDPELSDLKT-LLVKDONJSA-N -1 0 319.408 -0.491 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)[C@@]12CCC(=O)N1CCS2 ZINC000919670388 677478720 /nfs/dbraw/zinc/47/87/20/677478720.db2.gz PMYDUDPELSDLKT-NSHDSACASA-N -1 0 319.408 -0.491 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(Cc3cnn(C)n3)C2)c1[O-] ZINC001031616323 677480272 /nfs/dbraw/zinc/48/02/72/677480272.db2.gz PKWXPJDBMRWJRQ-UHFFFAOYSA-N -1 0 305.342 -0.586 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN([C@H]3CCCNC3=O)C2)c1[O-] ZINC001031617668 677480860 /nfs/dbraw/zinc/48/08/60/677480860.db2.gz MJMORAWWHYNKCA-JTQLQIEISA-N -1 0 307.354 -0.636 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(CC(=O)N3CCC3)C2)c1[O-] ZINC001031616611 677480936 /nfs/dbraw/zinc/48/09/36/677480936.db2.gz AISPLNVGGRBOKK-UHFFFAOYSA-N -1 0 307.354 -0.682 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN([C@@H]3CCCN(C)C3=O)C2)c1[O-] ZINC001031617851 677480999 /nfs/dbraw/zinc/48/09/99/677480999.db2.gz RYPDARCJDDUMAB-LLVKDONJSA-N -1 0 321.381 -0.294 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCCOCC1 ZINC001031640632 677489081 /nfs/dbraw/zinc/48/90/81/677489081.db2.gz DQBLVIBPXYXNRW-LLVKDONJSA-N -1 0 309.370 -0.125 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc2n(n1)CCC2 ZINC001031716552 677510715 /nfs/dbraw/zinc/51/07/15/677510715.db2.gz HQNZOICEUIDJQQ-UHFFFAOYSA-N -1 0 317.353 -0.485 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938400330 677519576 /nfs/dbraw/zinc/51/95/76/677519576.db2.gz XDWDJPNHDUVDRR-FWAPLPHYSA-N -1 0 320.349 -0.217 20 0 DBADRM CC(C)CC(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938400383 677519666 /nfs/dbraw/zinc/51/96/66/677519666.db2.gz ZTJZAXXICXVVQG-JTQLQIEISA-N -1 0 322.365 -0.137 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)C2CCC2)C1 ZINC000938388610 677519866 /nfs/dbraw/zinc/51/98/66/677519866.db2.gz FKUJHISJVPNAMR-VIFPVBQESA-N -1 0 309.326 -0.794 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)c2ccoc2)C1 ZINC000938388154 677519874 /nfs/dbraw/zinc/51/98/74/677519874.db2.gz BGSKPYWOJHIOPN-VIFPVBQESA-N -1 0 321.293 -0.687 20 0 DBADRM Cc1ncn(C)c1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031747333 677560459 /nfs/dbraw/zinc/56/04/59/677560459.db2.gz IBBIJDXPWBETOA-UHFFFAOYSA-N -1 0 305.342 -0.586 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938922600 677563224 /nfs/dbraw/zinc/56/32/24/677563224.db2.gz SHXJBZABJYQCBE-HRDYMLBCSA-N -1 0 321.337 -0.340 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938922479 677563240 /nfs/dbraw/zinc/56/32/40/677563240.db2.gz MILBIVHEQJUINP-KXUCPTDWSA-N -1 0 323.353 -0.548 20 0 DBADRM CCc1nn(C)cc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031753760 677564207 /nfs/dbraw/zinc/56/42/07/677564207.db2.gz ARGXGFJBSWRQSM-UHFFFAOYSA-N -1 0 319.369 -0.332 20 0 DBADRM CC(C)(F)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000939069893 677574120 /nfs/dbraw/zinc/57/41/20/677574120.db2.gz AIXGWNUIZRGSFC-ZCFIWIBFSA-N -1 0 313.289 -0.638 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)c1[O-] ZINC000939080626 677575724 /nfs/dbraw/zinc/57/57/24/677575724.db2.gz DTHFNKGJVBIZMS-MRVPVSSYSA-N -1 0 319.325 -0.471 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000939465923 677608502 /nfs/dbraw/zinc/60/85/02/677608502.db2.gz AYSQKFHNGPVUBZ-SECBINFHSA-N -1 0 308.338 -0.527 20 0 DBADRM CCc1nnsc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031822818 677608615 /nfs/dbraw/zinc/60/86/15/677608615.db2.gz BVSGOUQJYVALEX-UHFFFAOYSA-N -1 0 323.382 -0.214 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnn(C)c3)C2)c1[O-] ZINC000940039075 677645358 /nfs/dbraw/zinc/64/53/58/677645358.db2.gz YGIBFLQUIMVQQN-SNVBAGLBSA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)c1[O-] ZINC000940047407 677645508 /nfs/dbraw/zinc/64/55/08/677645508.db2.gz GDMRLJHUPBGYGH-SECBINFHSA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cc[nH]n3)C2)c1[O-] ZINC000940038510 677645784 /nfs/dbraw/zinc/64/57/84/677645784.db2.gz DLYRUSBSZKUHFS-MRVPVSSYSA-N -1 0 304.310 -0.209 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN(C(=O)c3nc[nH]n3)CC2)c1[O-] ZINC000940768331 677714039 /nfs/dbraw/zinc/71/40/39/677714039.db2.gz WYXGCCNDYXNNJN-UHFFFAOYSA-N -1 0 319.325 -0.470 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031915487 677723743 /nfs/dbraw/zinc/72/37/43/677723743.db2.gz FECOEPGCFYVHHD-UHFFFAOYSA-N -1 0 319.325 -0.824 20 0 DBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)C(F)F ZINC000940921500 677730706 /nfs/dbraw/zinc/73/07/06/677730706.db2.gz SOWNPPUMXPDNNF-RNFRBKRXSA-N -1 0 318.280 -0.356 20 0 DBADRM Cc1ncc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC001031926134 677749635 /nfs/dbraw/zinc/74/96/35/677749635.db2.gz UGRJMTZQGTUBBP-UHFFFAOYSA-N -1 0 305.342 -0.586 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1nnc[nH]1 ZINC000941110674 677752903 /nfs/dbraw/zinc/75/29/03/677752903.db2.gz HUPWZFRSACUURD-MRVPVSSYSA-N -1 0 320.357 -0.341 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCN(C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000941294952 677775857 /nfs/dbraw/zinc/77/58/57/677775857.db2.gz DMYUJLCIOAYEDB-ZYHUDNBSSA-N -1 0 320.397 -0.505 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000941316641 677777966 /nfs/dbraw/zinc/77/79/66/677777966.db2.gz OULJWNIRLXXSNS-MRVPVSSYSA-N -1 0 320.309 -0.240 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cncn3C)C2)c1[O-] ZINC000941360915 677790717 /nfs/dbraw/zinc/79/07/17/677790717.db2.gz XGEJTJVOPRDPJD-SECBINFHSA-N -1 0 318.337 -0.198 20 0 DBADRM C[C@@]1(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)CCCOC1 ZINC000941446513 677805433 /nfs/dbraw/zinc/80/54/33/677805433.db2.gz VZRWUOBWMWEWNU-QMTHXVAHSA-N -1 0 307.354 -0.048 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1)c1cn[nH]n1 ZINC000941446176 677805611 /nfs/dbraw/zinc/80/56/11/677805611.db2.gz GCDLIITTYWPLBU-SRRSOLGSSA-N -1 0 319.365 -0.050 20 0 DBADRM C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1)n1cccn1 ZINC000941448191 677810211 /nfs/dbraw/zinc/81/02/11/677810211.db2.gz SFCTXSSBMQDYRM-WDEREUQCSA-N -1 0 317.353 -0.017 20 0 DBADRM C[C@@H]1COCC[C@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031958254 677823875 /nfs/dbraw/zinc/82/38/75/677823875.db2.gz ACZAADBYMCDHFR-MWLCHTKSSA-N -1 0 309.370 -0.269 20 0 DBADRM NC(=O)c1coc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001031970644 677846631 /nfs/dbraw/zinc/84/66/31/677846631.db2.gz AYBVHOKDLYBHHM-UHFFFAOYSA-N -1 0 320.309 -0.936 20 0 DBADRM CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941788585 677848611 /nfs/dbraw/zinc/84/86/11/677848611.db2.gz GGCZZAQAQJAYQM-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cnn(C)c1 ZINC000941799166 677851488 /nfs/dbraw/zinc/85/14/88/677851488.db2.gz MOOQSGWUCHRROB-ONGXEEELSA-N -1 0 319.369 -0.116 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)C2CC=CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000941791681 677851828 /nfs/dbraw/zinc/85/18/28/677851828.db2.gz BXUDYGCMAJDGHC-SECBINFHSA-N -1 0 319.321 -0.420 20 0 DBADRM CC[C@H]1C[C@@H](C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)CC(=O)N1 ZINC000995177736 677853278 /nfs/dbraw/zinc/85/32/78/677853278.db2.gz CPNXFDDWEIBYMR-BDAKNGLRSA-N -1 0 320.353 -0.950 20 0 DBADRM C[C@H](C(=O)N1CC(NC(=O)c2cn[nH]n2)C1)c1ccnn1C ZINC000995177886 677853358 /nfs/dbraw/zinc/85/33/58/677853358.db2.gz QXAGIQPTTWJNBC-QMMMGPOBSA-N -1 0 303.326 -0.718 20 0 DBADRM CC[C@H](F)C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000941939969 677864461 /nfs/dbraw/zinc/86/44/61/677864461.db2.gz QHUARRNVYZFFBM-SFYZADRCSA-N -1 0 315.305 -0.846 20 0 DBADRM CC[C@@H](C)C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000941934108 677864558 /nfs/dbraw/zinc/86/45/58/677864558.db2.gz MICRDWJRLFSSQY-RKDXNWHRSA-N -1 0 311.342 -0.548 20 0 DBADRM CC1(C(=O)N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000941940215 677864672 /nfs/dbraw/zinc/86/46/72/677864672.db2.gz UDRWRAQTZMSRJX-MRVPVSSYSA-N -1 0 309.326 -0.794 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000941934133 677864723 /nfs/dbraw/zinc/86/47/23/677864723.db2.gz NILAZRNXQPJNFU-MRVPVSSYSA-N -1 0 320.309 -0.952 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000941933935 677864825 /nfs/dbraw/zinc/86/48/25/677864825.db2.gz GYSPLDGZSTWFRV-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000941933826 677864900 /nfs/dbraw/zinc/86/49/00/677864900.db2.gz DTWNEVMVHSBKKN-QZGLAHODSA-N -1 0 309.326 -0.627 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000941982281 677869029 /nfs/dbraw/zinc/86/90/29/677869029.db2.gz IJHUZOIVNNEAPM-OPRDCNLKSA-N -1 0 320.349 -0.527 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1ncn(C)n1 ZINC000942023929 677876407 /nfs/dbraw/zinc/87/64/07/677876407.db2.gz GMDOHAPTOWFDRZ-IUCAKERBSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000942030979 677878020 /nfs/dbraw/zinc/87/80/20/677878020.db2.gz IFNKUIQATOAQGP-OPRDCNLKSA-N -1 0 320.349 -0.527 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000942178108 677892761 /nfs/dbraw/zinc/89/27/61/677892761.db2.gz JZPURKIPLVBRDK-YIZRAAEISA-N -1 0 309.326 -0.938 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000942216716 677898423 /nfs/dbraw/zinc/89/84/23/677898423.db2.gz QGYIQUNXUQVPOQ-JGVFFNPUSA-N -1 0 306.330 -0.731 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cnon3)C2)c1[O-] ZINC000942256333 677900480 /nfs/dbraw/zinc/90/04/80/677900480.db2.gz GOOQCAUOEGOOAD-SSDOTTSWSA-N -1 0 306.282 -0.549 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cccnn3)C2)c1[O-] ZINC000942263182 677905535 /nfs/dbraw/zinc/90/55/35/677905535.db2.gz GIVAWXZDYNJAEX-SECBINFHSA-N -1 0 316.321 -0.142 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1ccnnc1 ZINC000942977405 677973173 /nfs/dbraw/zinc/97/31/73/677973173.db2.gz JLWMRUXNIRHUCN-KOLCDFICSA-N -1 0 317.353 -0.059 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCCN(C(=O)CC(N)=O)C2)c1[O-] ZINC000943194273 677983056 /nfs/dbraw/zinc/98/30/56/677983056.db2.gz LKOPVKWWGZSQJD-SECBINFHSA-N -1 0 323.353 -0.590 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCCN(C(=O)C2CC2)C1 ZINC000943406885 677991251 /nfs/dbraw/zinc/99/12/51/677991251.db2.gz BIFRZBOQPYELPA-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cnn(C)n1 ZINC000943582715 678006075 /nfs/dbraw/zinc/00/60/75/678006075.db2.gz VBWFAFRMYUYRMU-BDAKNGLRSA-N -1 0 320.357 -0.721 20 0 DBADRM CCCC(=O)N1CCC(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000943627934 678007076 /nfs/dbraw/zinc/00/70/76/678007076.db2.gz LVUAPHOXKXHHMP-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM O=C(Cn1cccn1)N[C@H]1CC[C@H](NC(=O)c2cn[nH]n2)CC1 ZINC000943627798 678007354 /nfs/dbraw/zinc/00/73/54/678007354.db2.gz PBRJZAFSELFMRS-XYPYZODXSA-N -1 0 317.353 -0.141 20 0 DBADRM O=C(N[C@H]1CC[C@H](NC(=O)[C@]23C[C@H]2COC3)CC1)c1cn[nH]n1 ZINC000943717623 678011687 /nfs/dbraw/zinc/01/16/87/678011687.db2.gz KQRJRXHMCDRSGX-VEABSNGSSA-N -1 0 319.365 -0.002 20 0 DBADRM C[C@H]1C[C@H](NC(=O)Cc2nc[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947909357 678014029 /nfs/dbraw/zinc/01/40/29/678014029.db2.gz ZFNNXBBVXHMPDA-DTWKUNHWSA-N -1 0 320.357 -0.660 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)Cc1ncc[nH]1 ZINC000943765544 678016852 /nfs/dbraw/zinc/01/68/52/678016852.db2.gz DDHJIKVOVBOIIW-NXEZZACHSA-N -1 0 319.369 -0.197 20 0 DBADRM CC(=O)NCc1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC000943776842 678018494 /nfs/dbraw/zinc/01/84/94/678018494.db2.gz OQQIEOLMKVCZHG-UHFFFAOYSA-N -1 0 317.305 -0.151 20 0 DBADRM CO[C@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(F)(F)F ZINC000733238549 678036164 /nfs/dbraw/zinc/03/61/64/678036164.db2.gz YQYALXWHQQOLPG-SSDOTTSWSA-N -1 0 319.243 -0.235 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn2cc[nH]c12 ZINC001032153443 678045169 /nfs/dbraw/zinc/04/51/69/678045169.db2.gz OOTVUTSHYIDDJL-UHFFFAOYSA-N -1 0 316.325 -0.652 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944174407 678061199 /nfs/dbraw/zinc/06/11/99/678061199.db2.gz MXDTTXXBIGOMEQ-AEJSXWLSSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)N1CCC2(CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000944332840 678075589 /nfs/dbraw/zinc/07/55/89/678075589.db2.gz RFNKTVMQUSACPI-UHFFFAOYSA-N -1 0 321.337 -0.243 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)C(F)F)CCO2)c1[O-] ZINC000944550968 678098809 /nfs/dbraw/zinc/09/88/09/678098809.db2.gz VPRACWICQWIDHX-ZETCQYMHSA-N -1 0 318.280 -0.354 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC1)C2 ZINC000995574758 678117667 /nfs/dbraw/zinc/11/76/67/678117667.db2.gz YJLMZHZKJULCIY-UTLUCORTSA-N -1 0 321.337 -0.653 20 0 DBADRM O=C(NC1CCN(C(=O)c2cnsn2)CC1)c1cn[nH]n1 ZINC000944769891 678128926 /nfs/dbraw/zinc/12/89/26/678128926.db2.gz WQLREICYKVWXDT-UHFFFAOYSA-N -1 0 307.339 -0.309 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1ccn(C)n1 ZINC000944920227 678135583 /nfs/dbraw/zinc/13/55/83/678135583.db2.gz SKRJAJYVEJFANB-VHSXEESVSA-N -1 0 319.369 -0.116 20 0 DBADRM CC(=O)N1CC2(C1)CCN(C(=O)c1cnc([O-])n(C)c1=O)CC2 ZINC000944995750 678138013 /nfs/dbraw/zinc/13/80/13/678138013.db2.gz YPVVNURMPWJFDC-UHFFFAOYSA-N -1 0 320.349 -0.430 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC12CCOCC2 ZINC001032231895 678141104 /nfs/dbraw/zinc/14/11/04/678141104.db2.gz PSCLCQLIPMNDDS-NSHDSACASA-N -1 0 321.381 -0.125 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC000945074776 678141486 /nfs/dbraw/zinc/14/14/86/678141486.db2.gz AOFOIJYQAFFDLW-YUMQZZPRSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000945092507 678142269 /nfs/dbraw/zinc/14/22/69/678142269.db2.gz OBBWECDWTSQECS-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000945092509 678142296 /nfs/dbraw/zinc/14/22/96/678142296.db2.gz OBBWECDWTSQECS-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@H]1CN(C(=O)c2cnns2)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000945197401 678145071 /nfs/dbraw/zinc/14/50/71/678145071.db2.gz PUYGRCPNEKIYBW-YUMQZZPRSA-N -1 0 321.366 -0.063 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000945310911 678149657 /nfs/dbraw/zinc/14/96/57/678149657.db2.gz ONHKDVGWDQNHJM-RKDXNWHRSA-N -1 0 318.341 -0.786 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC000945428769 678154945 /nfs/dbraw/zinc/15/49/45/678154945.db2.gz KBMIQGBNZBNMOI-YUMQZZPRSA-N -1 0 309.326 -0.340 20 0 DBADRM CCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC000945428767 678155076 /nfs/dbraw/zinc/15/50/76/678155076.db2.gz KBMIQGBNZBNMOI-JGVFFNPUSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC000945433221 678155485 /nfs/dbraw/zinc/15/54/85/678155485.db2.gz VJOJXTFJNPSVLM-DTWKUNHWSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@@H]1NC(=O)C1CC1 ZINC000945433204 678155519 /nfs/dbraw/zinc/15/55/19/678155519.db2.gz VCWGAUYMSITKNE-APPZFPTMSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC000945434797 678155628 /nfs/dbraw/zinc/15/56/28/678155628.db2.gz KSZYIIRLRTUTPX-GZMMTYOYSA-N -1 0 308.338 -0.527 20 0 DBADRM CC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000945548338 678165192 /nfs/dbraw/zinc/16/51/92/678165192.db2.gz JNOGSXIRZAFLCG-APPZFPTMSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000945654023 678168862 /nfs/dbraw/zinc/16/88/62/678168862.db2.gz UHFPMEMOVJLDNB-GXSJLCMTSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)N[C@H](C)[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000945654025 678169077 /nfs/dbraw/zinc/16/90/77/678169077.db2.gz UHFPMEMOVJLDNB-KOLCDFICSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000945690918 678171669 /nfs/dbraw/zinc/17/16/69/678171669.db2.gz DIYDWJKGIJNBEF-APPZFPTMSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)NC[C@H]1[C@H](C)CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000945789910 678175001 /nfs/dbraw/zinc/17/50/01/678175001.db2.gz SHWVEPZCIWAGRT-APPZFPTMSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000945788030 678175063 /nfs/dbraw/zinc/17/50/63/678175063.db2.gz KUMDPHCYKMFMLT-CABZTGNLSA-N -1 0 322.365 -0.137 20 0 DBADRM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)on1 ZINC001032277014 678180301 /nfs/dbraw/zinc/18/03/01/678180301.db2.gz OVZACVGDANMQNP-IUCAKERBSA-N -1 0 304.310 -0.094 20 0 DBADRM CC(=O)N1CC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)CC[C@H]21 ZINC000946007989 678192030 /nfs/dbraw/zinc/19/20/30/678192030.db2.gz YMGIKXVOTMYOIQ-CMPLNLGQSA-N -1 0 320.349 -0.431 20 0 DBADRM O=C([N-]S(=O)(=O)CC1CC1)[C@]12CCC(=O)N1CCS2 ZINC000733703694 678254265 /nfs/dbraw/zinc/25/42/65/678254265.db2.gz SYRPZZKGYHVTRJ-LLVKDONJSA-N -1 0 304.393 -0.092 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000733717501 678254359 /nfs/dbraw/zinc/25/43/59/678254359.db2.gz ODJQTFINVDADDW-IUCAKERBSA-N -1 0 318.351 -0.121 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)[N-]S(=O)(=O)CC1CC1 ZINC000733702475 678254491 /nfs/dbraw/zinc/25/44/91/678254491.db2.gz UBVFCLXKGUGMJM-UHFFFAOYSA-N -1 0 304.368 -0.519 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733719398 678255596 /nfs/dbraw/zinc/25/55/96/678255596.db2.gz GHLJZQDIGVOTHG-RKDXNWHRSA-N -1 0 306.384 -0.228 20 0 DBADRM CC(C)C(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733720058 678255836 /nfs/dbraw/zinc/25/58/36/678255836.db2.gz BSBPOKIVHCQDIT-MNOVXSKESA-N -1 0 318.395 -0.132 20 0 DBADRM O=C(CCn1ccccc1=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733722817 678256281 /nfs/dbraw/zinc/25/62/81/678256281.db2.gz YEOCJKIWNRWYMU-SNVBAGLBSA-N -1 0 300.336 -0.527 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C1 ZINC000733722827 678256362 /nfs/dbraw/zinc/25/63/62/678256362.db2.gz YLDYIKSIQAXLJM-MNOVXSKESA-N -1 0 318.395 -0.130 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccccc1 ZINC000768779266 678257464 /nfs/dbraw/zinc/25/74/64/678257464.db2.gz IPRKCPUXJKFSCX-UHFFFAOYSA-N -1 0 314.363 -0.101 20 0 DBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)c1 ZINC000733867302 678263874 /nfs/dbraw/zinc/26/38/74/678263874.db2.gz XHFDZOYLCHCRAF-UHFFFAOYSA-N -1 0 308.319 -0.064 20 0 DBADRM Cc1cnn(CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)c1 ZINC001032304550 678265379 /nfs/dbraw/zinc/26/53/79/678265379.db2.gz MOEMPXSSPXAAAG-QWRGUYRKSA-N -1 0 317.353 -0.499 20 0 DBADRM CC1(C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CCCC1 ZINC000996617217 678271248 /nfs/dbraw/zinc/27/12/48/678271248.db2.gz DFUIPCHYFXSGIJ-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM Cn1cc(CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)cn1 ZINC001032310169 678274332 /nfs/dbraw/zinc/27/43/32/678274332.db2.gz MRYHRQIYTYYMLW-QWRGUYRKSA-N -1 0 317.353 -0.728 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C ZINC000734091375 678275009 /nfs/dbraw/zinc/27/50/09/678275009.db2.gz WDCJHKPZNMXAIK-UHFFFAOYSA-N -1 0 322.383 -0.452 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cnn(C)c1C ZINC000734090111 678275078 /nfs/dbraw/zinc/27/50/78/678275078.db2.gz RBEXEPRTLWAMAT-UHFFFAOYSA-N -1 0 303.340 -0.259 20 0 DBADRM Cc1nc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)c[nH]1 ZINC001032317236 678282198 /nfs/dbraw/zinc/28/21/98/678282198.db2.gz IMALLXLNOKUZGA-IUCAKERBSA-N -1 0 303.326 -0.359 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCOC[C@@H]1CCCO1 ZINC000734446239 678286791 /nfs/dbraw/zinc/28/67/91/678286791.db2.gz ULVPYIIBLBAHOB-JTQLQIEISA-N -1 0 321.337 -0.617 20 0 DBADRM O=C(NC1CN(C(=O)c2cccs2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996740760 678289903 /nfs/dbraw/zinc/28/99/03/678289903.db2.gz ZQJWRHINBCPSLD-UHFFFAOYSA-N -1 0 321.318 -0.401 20 0 DBADRM CC(C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)=C1CCC1 ZINC000996734184 678290352 /nfs/dbraw/zinc/29/03/52/678290352.db2.gz GDNMWOCUKUATRU-UHFFFAOYSA-N -1 0 319.321 -0.276 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000996745353 678290898 /nfs/dbraw/zinc/29/08/98/678290898.db2.gz NPLBBTHEQXSFJQ-HTQZYQBOSA-N -1 0 321.337 -0.340 20 0 DBADRM CCC1(C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CCC1 ZINC000996744582 678291042 /nfs/dbraw/zinc/29/10/42/678291042.db2.gz LKSFDYAHGIKDBA-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(NC1CN(C(=O)[C@H]2CC23CCC3)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996746205 678291452 /nfs/dbraw/zinc/29/14/52/678291452.db2.gz RXDYUUGGULPBFX-MRVPVSSYSA-N -1 0 319.321 -0.586 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)c1C ZINC001032322666 678291743 /nfs/dbraw/zinc/29/17/43/678291743.db2.gz WGLNUSYUCFWJTQ-UWVGGRQHSA-N -1 0 317.353 -0.051 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cccc(-n2cncn2)c1 ZINC000734711890 678298271 /nfs/dbraw/zinc/29/82/71/678298271.db2.gz GOFKKDNDGSYNFU-UHFFFAOYSA-N -1 0 310.335 -0.027 20 0 DBADRM CCOCC(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000734972824 678307443 /nfs/dbraw/zinc/30/74/43/678307443.db2.gz OIGXVMXTHFJIAA-UHFFFAOYSA-N -1 0 321.376 -0.069 20 0 DBADRM O=C(CCCn1ccccc1=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000735217015 678321579 /nfs/dbraw/zinc/32/15/79/678321579.db2.gz UYTZNLLGTURETH-NSHDSACASA-N -1 0 314.363 -0.137 20 0 DBADRM O=C(CNC(=O)c1cccs1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000735273199 678324342 /nfs/dbraw/zinc/32/43/42/678324342.db2.gz QUDNEUPEMBPXGX-MRVPVSSYSA-N -1 0 322.350 -0.409 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cccnc1OC ZINC000770156037 678325287 /nfs/dbraw/zinc/32/52/87/678325287.db2.gz FXHCQEDMOQLANK-UHFFFAOYSA-N -1 0 318.351 -0.187 20 0 DBADRM O=C(CCc1nnc[nH]1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032342368 678325759 /nfs/dbraw/zinc/32/57/59/678325759.db2.gz REWJRNJWERIVHM-IUCAKERBSA-N -1 0 318.341 -0.954 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cn(C)nn2)c1[O-] ZINC001032355819 678342486 /nfs/dbraw/zinc/34/24/86/678342486.db2.gz HODKVZXGVJCXDZ-QWRGUYRKSA-N -1 0 317.353 -0.349 20 0 DBADRM Cn1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)c1 ZINC001032358987 678344671 /nfs/dbraw/zinc/34/46/71/678344671.db2.gz OYQZZWZOKMODOZ-QWRGUYRKSA-N -1 0 302.338 -0.052 20 0 DBADRM CNC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-] ZINC001032358221 678345254 /nfs/dbraw/zinc/34/52/54/678345254.db2.gz YJKSMIFGILURBV-UTLUCORTSA-N -1 0 307.354 -0.543 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)OC ZINC000735771357 678345325 /nfs/dbraw/zinc/34/53/25/678345325.db2.gz GJXNLKSJEUWIJS-IUCAKERBSA-N -1 0 308.356 -0.590 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](CC)OC ZINC000735774227 678345364 /nfs/dbraw/zinc/34/53/64/678345364.db2.gz FGNQVHKUGIHJPN-NXEZZACHSA-N -1 0 322.383 -0.200 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)C(C)(C)OC ZINC000735774212 678345421 /nfs/dbraw/zinc/34/54/21/678345421.db2.gz FAKOFMGFDRCODD-VIFPVBQESA-N -1 0 322.383 -0.200 20 0 DBADRM NC(=O)CN(CC(N)=O)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000735882578 678350855 /nfs/dbraw/zinc/35/08/55/678350855.db2.gz RYUADDYRPOKEPC-UHFFFAOYSA-N -1 0 308.319 -0.471 20 0 DBADRM CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000735912261 678353334 /nfs/dbraw/zinc/35/33/34/678353334.db2.gz VGAQPUZZWWFZIA-UHFFFAOYSA-N -1 0 316.383 -0.080 20 0 DBADRM CCOCC(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000788075225 678371657 /nfs/dbraw/zinc/37/16/57/678371657.db2.gz LDMNPQHJCOCPQI-UHFFFAOYSA-N -1 0 307.353 -0.057 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(C)c2ncccc2C1 ZINC000888319690 678391892 /nfs/dbraw/zinc/39/18/92/678391892.db2.gz KDMHYWIGRUTSRC-UHFFFAOYSA-N -1 0 302.342 -0.006 20 0 DBADRM CCC[C@@H](NC(=O)CS(=O)(=O)CCOC)c1nnn[n-]1 ZINC000736430549 678397246 /nfs/dbraw/zinc/39/72/46/678397246.db2.gz VWHFWRDLMBWVGI-MRVPVSSYSA-N -1 0 305.360 -0.782 20 0 DBADRM O=C(CO[C@H]1CCOC1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032401549 678398412 /nfs/dbraw/zinc/39/84/12/678398412.db2.gz RIXHIONBSPKDJF-DCAQKATOSA-N -1 0 323.353 -0.899 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC(=O)N(CCC(F)(F)F)C1 ZINC000888325374 678403090 /nfs/dbraw/zinc/40/30/90/678403090.db2.gz JELAIOHHUQLJCM-UHFFFAOYSA-N -1 0 321.263 -0.299 20 0 DBADRM NC(=O)CNC(=O)c1cccc(OS(=O)(=O)c2cnc[n-]2)c1 ZINC000736632764 678414941 /nfs/dbraw/zinc/41/49/41/678414941.db2.gz UJETXIJZRHLOBA-UHFFFAOYSA-N -1 0 324.318 -0.608 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997257050 678423017 /nfs/dbraw/zinc/42/30/17/678423017.db2.gz ANUUFSFSZPRZFQ-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM CC[C@@]1(C)C[C@@H]1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997258472 678423271 /nfs/dbraw/zinc/42/32/71/678423271.db2.gz PUKVARJTCHDQIV-OTYXRUKQSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997259099 678423372 /nfs/dbraw/zinc/42/33/72/678423372.db2.gz ZRQVJVYPJXAMFL-ZJUUUORDSA-N -1 0 323.353 -0.692 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)C2CCCCC2)C1 ZINC000997262368 678423962 /nfs/dbraw/zinc/42/39/62/678423962.db2.gz BTMYNVPOAFGTOL-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997358417 678433466 /nfs/dbraw/zinc/43/34/66/678433466.db2.gz MFZYXPVHMPWVRK-IONNQARKSA-N -1 0 306.322 -0.918 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997358418 678433535 /nfs/dbraw/zinc/43/35/35/678433535.db2.gz MFZYXPVHMPWVRK-VXNVDRBHSA-N -1 0 306.322 -0.918 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000888325690 678434224 /nfs/dbraw/zinc/43/42/24/678434224.db2.gz TVRNATZMAIGFBN-JTQLQIEISA-N -1 0 307.358 -0.409 20 0 DBADRM C/C=C(\C)C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997362055 678435102 /nfs/dbraw/zinc/43/51/02/678435102.db2.gz RWIGMWQGPKFBGK-XBXARRHUSA-N -1 0 306.322 -0.607 20 0 DBADRM C/C=C(/C)C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997362056 678435255 /nfs/dbraw/zinc/43/52/55/678435255.db2.gz RWIGMWQGPKFBGK-YWEYNIOJSA-N -1 0 306.322 -0.607 20 0 DBADRM Cc1ncn(C)c1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032458426 678443467 /nfs/dbraw/zinc/44/34/67/678443467.db2.gz GOMSZLAYGNPAHE-UWVGGRQHSA-N -1 0 317.353 -0.349 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000888328596 678463415 /nfs/dbraw/zinc/46/34/15/678463415.db2.gz STAKIEVBSRZNCB-MFKMUULPSA-N -1 0 310.358 -0.083 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000888337861 678465906 /nfs/dbraw/zinc/46/59/06/678465906.db2.gz JEDQRLNYKKNUJB-UHFFFAOYSA-N -1 0 319.373 -0.802 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)[C@]12C[C@H]1CCC2 ZINC000997538490 678477783 /nfs/dbraw/zinc/47/77/83/678477783.db2.gz QELVPUMFKBARSW-NXSYQRQQSA-N -1 0 319.321 -0.586 20 0 DBADRM Cc1nnccc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032499496 678478085 /nfs/dbraw/zinc/47/80/85/678478085.db2.gz AARADTXPSHPNEY-UWVGGRQHSA-N -1 0 315.337 -0.292 20 0 DBADRM C/C=C(/C)C(=O)N1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000946223309 678478426 /nfs/dbraw/zinc/47/84/26/678478426.db2.gz PCLOAVHKMIJYQH-BAQGIRSFSA-N -1 0 321.337 -0.030 20 0 DBADRM O=C([C@@H]1CCOC1)N1CCC(C[NH2+]Cc2n[nH]c(=O)[n-]2)CC1 ZINC000997596733 678485571 /nfs/dbraw/zinc/48/55/71/678485571.db2.gz BZYAWGGFILQLHH-LLVKDONJSA-N -1 0 309.370 -0.125 20 0 DBADRM NC(=O)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ncccc1O ZINC000946292526 678499249 /nfs/dbraw/zinc/49/92/49/678499249.db2.gz MNTOHSPAJKVDOD-DTWKUNHWSA-N -1 0 306.322 -0.713 20 0 DBADRM Cc1n[nH]nc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032555104 678513276 /nfs/dbraw/zinc/51/32/76/678513276.db2.gz ZMNKZEHDAJEYMU-YUMQZZPRSA-N -1 0 304.314 -0.964 20 0 DBADRM CC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000946346789 678515306 /nfs/dbraw/zinc/51/53/06/678515306.db2.gz YCWVMUYUNGGJQT-RKDXNWHRSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000946414053 678531601 /nfs/dbraw/zinc/53/16/01/678531601.db2.gz WZBRFQJQYIGVFB-DTWKUNHWSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000946414052 678532081 /nfs/dbraw/zinc/53/20/81/678532081.db2.gz WZBRFQJQYIGVFB-BDAKNGLRSA-N -1 0 309.326 -0.293 20 0 DBADRM Cc1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)n1C ZINC001032587092 678543901 /nfs/dbraw/zinc/54/39/01/678543901.db2.gz LNZHHSXVTNPNHQ-UWVGGRQHSA-N -1 0 317.353 -0.349 20 0 DBADRM CO[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1)C(C)C ZINC001032604988 678567598 /nfs/dbraw/zinc/56/75/98/678567598.db2.gz PDHRLFTUIOPAFM-NHCYSSNCSA-N -1 0 309.370 -0.034 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@H]3CCO[C@@H]3C)C2)c1[O-] ZINC000998397934 678595815 /nfs/dbraw/zinc/59/58/15/678595815.db2.gz MIEXFTOTTMHGOH-SCZZXKLOSA-N -1 0 308.338 -0.211 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032635791 678612285 /nfs/dbraw/zinc/61/22/85/678612285.db2.gz DSVKXDPDXRPESU-WDCWCFNPSA-N -1 0 307.354 -0.280 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](NCc3cnn(C)n3)C2)c1[O-] ZINC000998952035 678658240 /nfs/dbraw/zinc/65/82/40/678658240.db2.gz GLJJFZRPAVGMSM-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC000998951567 678658356 /nfs/dbraw/zinc/65/83/56/678658356.db2.gz DHBPVSUJQWFNNS-QMMMGPOBSA-N -1 0 321.341 -0.358 20 0 DBADRM Cc1cnoc1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000998968131 678659729 /nfs/dbraw/zinc/65/97/29/678659729.db2.gz NPTXQLSBFXZMKI-UHFFFAOYSA-N -1 0 305.294 -0.025 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000999080651 678670438 /nfs/dbraw/zinc/67/04/38/678670438.db2.gz VJVGYACTFUIXBR-DTWKUNHWSA-N -1 0 320.349 -0.527 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000999091897 678671998 /nfs/dbraw/zinc/67/19/98/678671998.db2.gz SFPPSESLGBFXAG-BQBZGAKWSA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)CCOC1 ZINC001032701434 678699615 /nfs/dbraw/zinc/69/96/15/678699615.db2.gz YYDFAAJKCUFLQL-BHDSKKPTSA-N -1 0 307.354 -0.278 20 0 DBADRM CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)nn1 ZINC001032705496 678700819 /nfs/dbraw/zinc/70/08/19/678700819.db2.gz WKUPJWGFGOFJTA-IUCAKERBSA-N -1 0 318.341 -0.779 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC2(CC2)C1 ZINC000999330202 678708436 /nfs/dbraw/zinc/70/84/36/678708436.db2.gz ITRVZSDHMYVKLN-UHFFFAOYSA-N -1 0 319.321 -0.586 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000085327636 678724864 /nfs/dbraw/zinc/72/48/64/678724864.db2.gz FICXYMVIFBYQSF-DTWKUNHWSA-N -1 0 313.397 -0.406 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC(NCc2ccon2)C1 ZINC000999753028 678742069 /nfs/dbraw/zinc/74/20/69/678742069.db2.gz KKQAFKQQNJMLAJ-UHFFFAOYSA-N -1 0 322.325 -0.544 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000921687344 678751258 /nfs/dbraw/zinc/75/12/58/678751258.db2.gz CEHXYQCBFAVPJY-UHFFFAOYSA-N -1 0 314.363 -0.239 20 0 DBADRM CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000756284181 678825228 /nfs/dbraw/zinc/82/52/28/678825228.db2.gz XZARYICADGORTF-SNVBAGLBSA-N -1 0 306.384 -0.130 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000921764422 678836683 /nfs/dbraw/zinc/83/66/83/678836683.db2.gz WBUSESKPDULNES-SNVBAGLBSA-N -1 0 312.370 -0.103 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnccn1 ZINC001000395973 678838440 /nfs/dbraw/zinc/83/84/40/678838440.db2.gz STQYCPDUBWIQOT-UHFFFAOYSA-N -1 0 315.337 -0.138 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnsn1 ZINC001000475909 678844581 /nfs/dbraw/zinc/84/45/81/678844581.db2.gz LOMYGEULBONTOT-UHFFFAOYSA-N -1 0 321.366 -0.076 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2=CCN([C@H]3CCNC3=O)CC2)c1[O-] ZINC001000589271 678857935 /nfs/dbraw/zinc/85/79/35/678857935.db2.gz WLRKYNNFOWEMIQ-NSHDSACASA-N -1 0 319.365 -0.326 20 0 DBADRM O=C(NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCC1 ZINC001000602725 678858287 /nfs/dbraw/zinc/85/82/87/678858287.db2.gz FAIJKLYAHCZHJU-UHFFFAOYSA-N -1 0 307.310 -0.729 20 0 DBADRM Cn1cnc(C(=O)NCC2=CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001000645886 678861653 /nfs/dbraw/zinc/86/16/53/678861653.db2.gz GWRMLEAEJRUPCT-UHFFFAOYSA-N -1 0 318.341 -0.799 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)C3=COCCO3)C2)c1[O-] ZINC001000786609 678873364 /nfs/dbraw/zinc/87/33/64/678873364.db2.gz XVSGPBATLUXFBN-UHFFFAOYSA-N -1 0 322.321 -0.500 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3cn(C)cn3)C2)c1[O-] ZINC001001432502 678932811 /nfs/dbraw/zinc/93/28/11/678932811.db2.gz SRBSEIXRLGJZPS-UHFFFAOYSA-N -1 0 318.337 -0.341 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)Cc3cnc[nH]3)C2)c1[O-] ZINC001001461852 678933850 /nfs/dbraw/zinc/93/38/50/678933850.db2.gz CSKWIBWSCPRCSV-UHFFFAOYSA-N -1 0 318.337 -0.422 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3n[nH]cc3F)C2)c1[O-] ZINC001001459808 678934181 /nfs/dbraw/zinc/93/41/81/678934181.db2.gz VHWIQEVRRJAQRS-UHFFFAOYSA-N -1 0 322.300 -0.212 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)C3=CCOCC3)C2)c1[O-] ZINC001001454442 678936211 /nfs/dbraw/zinc/93/62/11/678936211.db2.gz ISDKKJKKNOQGST-UHFFFAOYSA-N -1 0 320.349 -0.041 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnon1 ZINC001001960018 678963106 /nfs/dbraw/zinc/96/31/06/678963106.db2.gz WSTGBHPNBYJCNJ-UHFFFAOYSA-N -1 0 307.314 -0.465 20 0 DBADRM CCC(=O)N1CCC[C@@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001001967002 678963512 /nfs/dbraw/zinc/96/35/12/678963512.db2.gz BQGWIBQUQQQFRR-MRVPVSSYSA-N -1 0 309.326 -0.244 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-]CCO[C@H]1CCOC1 ZINC000921882629 678976154 /nfs/dbraw/zinc/97/61/54/678976154.db2.gz DSSMHILJOBKVTB-JTQLQIEISA-N -1 0 312.413 -0.112 20 0 DBADRM Cn1cnc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1 ZINC001002602681 678991344 /nfs/dbraw/zinc/99/13/44/678991344.db2.gz SUDVMDOLVMEQGT-UHFFFAOYSA-N -1 0 305.342 -0.362 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCN(Cc3cnn(C)n3)CC2)c1[O-] ZINC001002615259 678992214 /nfs/dbraw/zinc/99/22/14/678992214.db2.gz LIYBCAAIUPIUPY-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@@H](C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)n1cncn1 ZINC001002634905 678992626 /nfs/dbraw/zinc/99/26/26/678992626.db2.gz SLJXQWNOXDRSNL-VIFPVBQESA-N -1 0 320.357 -0.556 20 0 DBADRM CC(=O)N(C)C[C@@H]1CCCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001002677357 678995393 /nfs/dbraw/zinc/99/53/93/678995393.db2.gz WKWCETXTWHWMJH-JTQLQIEISA-N -1 0 323.353 -0.315 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)c1nnn[n-]1 ZINC000358384906 679007124 /nfs/dbraw/zinc/00/71/24/679007124.db2.gz UVMDPQOLIVRNTH-RKDXNWHRSA-N -1 0 318.341 -0.462 20 0 DBADRM Cc1ncncc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038086842 679017987 /nfs/dbraw/zinc/01/79/87/679017987.db2.gz UELSIUDRCXCOKY-SECBINFHSA-N -1 0 303.326 -0.387 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cn[nH]c(=O)c1 ZINC001003086386 679022243 /nfs/dbraw/zinc/02/22/43/679022243.db2.gz UCZBXTCZTRMIOD-UHFFFAOYSA-N -1 0 319.325 -0.600 20 0 DBADRM CN1CC[C@H]([NH+]2CCC(NC(=O)c3cnc[nH]c3=O)CC2)C1=O ZINC001003107894 679023309 /nfs/dbraw/zinc/02/33/09/679023309.db2.gz MYVJZDWORBTCIQ-LBPRGKRZSA-N -1 0 319.365 -0.393 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003390929 679037448 /nfs/dbraw/zinc/03/74/48/679037448.db2.gz HHELGKBSPOYCBB-RKDXNWHRSA-N -1 0 321.337 -0.483 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003390586 679037561 /nfs/dbraw/zinc/03/75/61/679037561.db2.gz CHOCWAQNOALGEH-VXNVDRBHSA-N -1 0 321.337 -0.483 20 0 DBADRM CC(F)(F)C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003393716 679037562 /nfs/dbraw/zinc/03/75/62/679037562.db2.gz ORUYRVOKWADPJA-UHFFFAOYSA-N -1 0 317.252 -0.874 20 0 DBADRM C[C@@H](C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC001003393415 679037567 /nfs/dbraw/zinc/03/75/67/679037567.db2.gz JBBOXIZXRKHDOS-SSDOTTSWSA-N -1 0 321.337 -0.483 20 0 DBADRM C[C@H](C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC001003393416 679037624 /nfs/dbraw/zinc/03/76/24/679037624.db2.gz JBBOXIZXRKHDOS-ZETCQYMHSA-N -1 0 321.337 -0.483 20 0 DBADRM Cc1ncc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1C ZINC001003508319 679044383 /nfs/dbraw/zinc/04/43/83/679044383.db2.gz OKHDMRKTPKPOCM-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM CC(C)CC(=O)N1CC(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001003545323 679048294 /nfs/dbraw/zinc/04/82/94/679048294.db2.gz DASFJKULAIQVFG-UHFFFAOYSA-N -1 0 322.365 -0.280 20 0 DBADRM C[C@@]1(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCC(=O)N1 ZINC001003581441 679053102 /nfs/dbraw/zinc/05/31/02/679053102.db2.gz ZCIXESNWGPKJSP-AWEZNQCLSA-N -1 0 322.369 -0.740 20 0 DBADRM Cc1c[nH]c(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001003772493 679065969 /nfs/dbraw/zinc/06/59/69/679065969.db2.gz UOKYKLWRAHZMJV-UHFFFAOYSA-N -1 0 305.342 -0.064 20 0 DBADRM CN(C(=O)C1=COCCO1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032881458 679072176 /nfs/dbraw/zinc/07/21/76/679072176.db2.gz VCFHGBDSGUAQDH-SECBINFHSA-N -1 0 309.326 -0.569 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)[C@H]1C ZINC001014664223 679075851 /nfs/dbraw/zinc/07/58/51/679075851.db2.gz WKQLKSVAKRNMPV-GZMMTYOYSA-N -1 0 308.338 -0.385 20 0 DBADRM Cc1ncncc1C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032933748 679083214 /nfs/dbraw/zinc/08/32/14/679083214.db2.gz BBBYEVTXMYDBRY-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM Cc1nc(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c[nH]1 ZINC001032961856 679087889 /nfs/dbraw/zinc/08/78/89/679087889.db2.gz URYORWNTAJGFBE-SECBINFHSA-N -1 0 305.342 -0.112 20 0 DBADRM CN(C(=O)C[C@H]1CCOC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032967463 679088938 /nfs/dbraw/zinc/08/89/38/679088938.db2.gz MDGHTILVHWXZQN-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C(=O)c1cc[nH]c(=O)c1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033001734 679096562 /nfs/dbraw/zinc/09/65/62/679096562.db2.gz OZKMYMHENXJOCV-SNVBAGLBSA-N -1 0 318.337 -0.043 20 0 DBADRM Cc1cc(CC(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001033000706 679096623 /nfs/dbraw/zinc/09/66/23/679096623.db2.gz ZYJHGZFKTMZLAI-NSHDSACASA-N -1 0 319.369 -0.183 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN([C@H]3CCNC3=O)C2)c1[O-] ZINC001033008419 679098091 /nfs/dbraw/zinc/09/80/91/679098091.db2.gz FXXODKWVJGOEQG-UWVGGRQHSA-N -1 0 307.354 -0.541 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(Cc3cnn(C)n3)C2)c1[O-] ZINC001033011196 679098621 /nfs/dbraw/zinc/09/86/21/679098621.db2.gz ZHAONNBQFQDGPS-LLVKDONJSA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1ccnc(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001033046843 679111447 /nfs/dbraw/zinc/11/14/47/679111447.db2.gz LCFJASXKRJFHNX-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM Cc1c[nH]nc1C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033067952 679119147 /nfs/dbraw/zinc/11/91/47/679119147.db2.gz BGXZKNJAZSXVGZ-VIFPVBQESA-N -1 0 305.342 -0.112 20 0 DBADRM Cc1nonc1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001004259286 679119215 /nfs/dbraw/zinc/11/92/15/679119215.db2.gz FHPAVRJPLCAPJC-UHFFFAOYSA-N -1 0 307.314 -0.404 20 0 DBADRM C/C=C(\C)C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001295735793 805588364 /nfs/dbraw/zinc/58/83/64/805588364.db2.gz FUPWDMAZARMDSX-IPQKIJNHSA-N -1 0 321.337 -0.173 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)[N-]OCC(N)=O)CC1 ZINC001295744910 805589350 /nfs/dbraw/zinc/58/93/50/805589350.db2.gz HIAGBKWWVBPKBE-UHFFFAOYSA-N -1 0 316.358 -0.928 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)N(C)CCOC)CC1=O ZINC000842319030 805589461 /nfs/dbraw/zinc/58/94/61/805589461.db2.gz LKEBSTVQHDOHOV-JTQLQIEISA-N -1 0 321.399 -0.816 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)COC)CC1=O ZINC000842310685 805589736 /nfs/dbraw/zinc/58/97/36/805589736.db2.gz LLZOUXYLRNSCDE-ZJUUUORDSA-N -1 0 306.384 -0.274 20 0 DBADRM C[C@@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)C(=O)OC(C)(C)C ZINC000842313544 805589752 /nfs/dbraw/zinc/58/97/52/805589752.db2.gz PDIBUHYWMZNKNE-VIFPVBQESA-N -1 0 322.383 -0.343 20 0 DBADRM CCCc1cc(C(=O)[N-]S(=O)(=O)CCC(=O)OC)[nH]n1 ZINC000842358143 805590632 /nfs/dbraw/zinc/59/06/32/805590632.db2.gz JSIJVPBYSMQLGR-UHFFFAOYSA-N -1 0 303.340 -0.015 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2cnccn2)CC1=O ZINC000842323408 805591008 /nfs/dbraw/zinc/59/10/08/805591008.db2.gz UNKYWLLBHVHLRS-SECBINFHSA-N -1 0 312.351 -0.460 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)CC1=O ZINC000842331586 805591212 /nfs/dbraw/zinc/59/12/12/805591212.db2.gz GYHIHQXOLWEMBA-GHMZBOCLSA-N -1 0 318.395 -0.130 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000842548255 805593658 /nfs/dbraw/zinc/59/36/58/805593658.db2.gz NCFIXUNWYJIXDF-SNVBAGLBSA-N -1 0 314.363 -0.057 20 0 DBADRM COC1(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000842675535 805595978 /nfs/dbraw/zinc/59/59/78/805595978.db2.gz YRGJZSACGOYWSZ-UHFFFAOYSA-N -1 0 323.334 -0.354 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)C1(OC)CC1 ZINC000842711156 805596734 /nfs/dbraw/zinc/59/67/34/805596734.db2.gz ZXGNKVIUZXULEI-VIFPVBQESA-N -1 0 320.367 -0.446 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cc[n+]([O-])cc1 ZINC000842705796 805597037 /nfs/dbraw/zinc/59/70/37/805597037.db2.gz XUUIFMIZCCETIU-LLVKDONJSA-N -1 0 300.336 -0.051 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)COCC(=O)OC(C)(C)C ZINC000842713183 805597144 /nfs/dbraw/zinc/59/71/44/805597144.db2.gz DSTLZSGRUAYPBO-UHFFFAOYSA-N -1 0 311.356 -0.563 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000842715961 805598474 /nfs/dbraw/zinc/59/84/74/805598474.db2.gz JMAGLZIJJBJSKK-KOLCDFICSA-N -1 0 318.395 -0.132 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)Cc1cnn2ccccc12 ZINC000842714815 805598537 /nfs/dbraw/zinc/59/85/37/805598537.db2.gz WRFUSODXPKMTGP-UHFFFAOYSA-N -1 0 311.319 -0.504 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@@H]1CCCN1C(=O)C1CC1 ZINC000842715886 805598602 /nfs/dbraw/zinc/59/86/02/805598602.db2.gz HMARRCKKYJQLER-MNOVXSKESA-N -1 0 316.379 -0.378 20 0 DBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)(C1)C2 ZINC000842716910 805598608 /nfs/dbraw/zinc/59/86/08/805598608.db2.gz RQMSLUALFIMABQ-RKWZHAFESA-N -1 0 303.336 -0.435 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccsc2)S1(=O)=O ZINC000842737361 805599164 /nfs/dbraw/zinc/59/91/64/805599164.db2.gz OEXGUJJRIFNGNU-QMMMGPOBSA-N -1 0 324.405 -0.413 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1ccnc(C)n1 ZINC000842755642 805599421 /nfs/dbraw/zinc/59/94/21/805599421.db2.gz HSKFYAAMTCHONU-MRVPVSSYSA-N -1 0 315.351 -0.275 20 0 DBADRM CN(CCNC(=O)[C@H]1CC=CCC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001296002627 805601954 /nfs/dbraw/zinc/60/19/54/805601954.db2.gz USYKVPWDLGBQMB-JTQLQIEISA-N -1 0 323.353 -0.380 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000843256039 805612536 /nfs/dbraw/zinc/61/25/36/805612536.db2.gz CLDKCBVZEVBNCT-UHFFFAOYSA-N -1 0 323.231 -0.579 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H]2COCCO2)CC1 ZINC000843257186 805613354 /nfs/dbraw/zinc/61/33/54/805613354.db2.gz MYXDODIGHNQCFM-SNVBAGLBSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC3(C2)OCCO3)C1 ZINC000843260022 805613459 /nfs/dbraw/zinc/61/34/59/805613459.db2.gz UVIJSFIRHYKPGE-ZJUUUORDSA-N -1 0 312.322 -0.669 20 0 DBADRM CN(Cc1nnc2ccccn21)C(=O)C(=O)NCCCC(=O)[O-] ZINC000843259484 805613693 /nfs/dbraw/zinc/61/36/93/805613693.db2.gz MUZQZLAGZSDKFX-UHFFFAOYSA-N -1 0 319.321 -0.331 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000843335130 805617560 /nfs/dbraw/zinc/61/75/60/805617560.db2.gz MGXLKWRYTWYLER-NXEZZACHSA-N -1 0 307.368 -0.383 20 0 DBADRM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)COCC(=O)[O-] ZINC000843330573 805618177 /nfs/dbraw/zinc/61/81/77/805618177.db2.gz OJDHOVLQPPIZFM-UHFFFAOYSA-N -1 0 320.301 -0.158 20 0 DBADRM O=C([O-])COCC(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000843327213 805618185 /nfs/dbraw/zinc/61/81/85/805618185.db2.gz MHAXXNMAABANPZ-UHFFFAOYSA-N -1 0 316.335 -0.818 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cc(OC)ccc1OC ZINC000843770243 805634097 /nfs/dbraw/zinc/63/40/97/805634097.db2.gz QVAVCNRIGABDNK-UHFFFAOYSA-N -1 0 304.324 -0.340 20 0 DBADRM O=C(Cc1cnn2ccccc12)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000843790480 805634923 /nfs/dbraw/zinc/63/49/23/805634923.db2.gz FEECOKSHORSJBG-GFCCVEGCSA-N -1 0 313.321 -0.010 20 0 DBADRM CC(C)(CO)O[N-]C(=O)CNS(=O)(=O)c1ccccc1F ZINC000843899489 805637918 /nfs/dbraw/zinc/63/79/18/805637918.db2.gz JJZCLHXFXWIWDM-UHFFFAOYSA-N -1 0 320.342 -0.077 20 0 DBADRM CC[C@@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)OC ZINC000844025034 805642031 /nfs/dbraw/zinc/64/20/31/805642031.db2.gz GYGZPJYAHJYPFB-QMMMGPOBSA-N -1 0 307.310 -0.613 20 0 DBADRM CC1=C(C(=O)NCCc2n[n-]c(=S)o2)S(=O)(=O)CCO1 ZINC001296732986 805648438 /nfs/dbraw/zinc/64/84/38/805648438.db2.gz ZGZVVLIQRJBLCS-UHFFFAOYSA-N -1 0 319.364 -0.307 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NCCc2n[n-]c(=S)o2)C1=O ZINC001296731981 805648592 /nfs/dbraw/zinc/64/85/92/805648592.db2.gz IJGODSWBYSPYHC-UHFFFAOYSA-N -1 0 313.339 -0.653 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)S1(=O)=O ZINC000844155306 805649737 /nfs/dbraw/zinc/64/97/37/805649737.db2.gz MVUNPTZJOJDWKT-BXKDBHETSA-N -1 0 320.367 -0.840 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)n1cncn1 ZINC000844158704 805649925 /nfs/dbraw/zinc/64/99/25/805649925.db2.gz WZKLNQNZDZYWHH-ZJUUUORDSA-N -1 0 319.325 -0.008 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3cn(C4CCC4)nn3)C2)nn1 ZINC000844155174 805650130 /nfs/dbraw/zinc/65/01/30/805650130.db2.gz LXBGCZOKTJCWKS-UHFFFAOYSA-N -1 0 317.309 -0.010 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC[C@H]1C(=O)[O-] ZINC000844155080 805650223 /nfs/dbraw/zinc/65/02/23/805650223.db2.gz HSVNTGWUUMJNJY-OPRDCNLKSA-N -1 0 304.368 -0.411 20 0 DBADRM O=C([O-])COCC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000844250423 805654882 /nfs/dbraw/zinc/65/48/82/805654882.db2.gz SDSOOJUIAZELJC-NXEZZACHSA-N -1 0 305.352 -0.344 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1cccnc1-n1cncn1 ZINC000844525421 805663146 /nfs/dbraw/zinc/66/31/46/805663146.db2.gz OOTHYFOEEUZQQK-UHFFFAOYSA-N -1 0 305.298 -0.149 20 0 DBADRM CCO[N-]C(=O)CN1C(=O)[C@H]2C[C@@H](C(=O)OC)CCN2C1=O ZINC000844737165 805669550 /nfs/dbraw/zinc/66/95/50/805669550.db2.gz BFNPEUAFSFZLHV-DTWKUNHWSA-N -1 0 313.310 -0.730 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000844787875 805671646 /nfs/dbraw/zinc/67/16/46/805671646.db2.gz WYODPJKOVGYYPE-INTQDDNPSA-N -1 0 307.368 -0.037 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000844798785 805672013 /nfs/dbraw/zinc/67/20/13/805672013.db2.gz LXRGNGMLYYXKHV-LBPRGKRZSA-N -1 0 316.335 -0.310 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000844798783 805672279 /nfs/dbraw/zinc/67/22/79/805672279.db2.gz LXRGNGMLYYXKHV-GFCCVEGCSA-N -1 0 316.335 -0.310 20 0 DBADRM COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cn1 ZINC000844792928 805672309 /nfs/dbraw/zinc/67/23/09/805672309.db2.gz CREHZSMLDFUYDV-APPZFPTMSA-N -1 0 302.308 -0.701 20 0 DBADRM COc1ccc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)cn1 ZINC000844797826 805672342 /nfs/dbraw/zinc/67/23/42/805672342.db2.gz CLYXNMHITSUFDL-LLVKDONJSA-N -1 0 302.308 -0.700 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC[C@@]2(O)CCCOC2)c[nH]1 ZINC000844901325 805674068 /nfs/dbraw/zinc/67/40/68/805674068.db2.gz GTLLDADTGJCAMI-LBPRGKRZSA-N -1 0 318.351 -0.077 20 0 DBADRM CCNC(=O)CC(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001297189993 805685213 /nfs/dbraw/zinc/68/52/13/805685213.db2.gz HBXWJHGWRYFVLM-UHFFFAOYSA-N -1 0 323.353 -0.862 20 0 DBADRM C/C=C(\C)C(=O)NC[C@@H](CC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001297384292 805703351 /nfs/dbraw/zinc/70/33/51/805703351.db2.gz ZFBOIVODBQLCSO-VGANXODHSA-N -1 0 311.342 -0.334 20 0 DBADRM CO[C@@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)C(F)(F)F ZINC000845474421 805705959 /nfs/dbraw/zinc/70/59/59/805705959.db2.gz JTLZEIIQMQBLBH-ZETCQYMHSA-N -1 0 320.289 -0.353 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845474856 805706083 /nfs/dbraw/zinc/70/60/83/805706083.db2.gz PUTVYIPHKQCOLP-UHFFFAOYSA-N -1 0 302.356 -0.763 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@H](C)n1ccnc1 ZINC000845512801 805708515 /nfs/dbraw/zinc/70/85/15/805708515.db2.gz GEPZPHRGTNDUBO-IUCAKERBSA-N -1 0 303.340 -0.158 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)CNC(C)=O ZINC000845513604 805708684 /nfs/dbraw/zinc/70/86/84/805708684.db2.gz PDUWVQSSWMDYNI-SSDOTTSWSA-N -1 0 308.356 -0.844 20 0 DBADRM CCC[C@@H](C)C(=O)NCCNC(=O)NCC(=O)[N-]OCC ZINC000845532612 805709499 /nfs/dbraw/zinc/70/94/99/805709499.db2.gz PUDDNTDFDOVADN-SNVBAGLBSA-N -1 0 302.375 -0.094 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@H](OC(=O)N(C)C)C1 ZINC000845530246 805709810 /nfs/dbraw/zinc/70/98/10/805709810.db2.gz IVNJZDYDUXMHDF-JTQLQIEISA-N -1 0 316.358 -0.074 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@H](C)S(=O)(=O)[C@@H](CC)C1 ZINC000845533702 805710450 /nfs/dbraw/zinc/71/04/50/805710450.db2.gz ZNLXJWDBTVCEFD-UWVGGRQHSA-N -1 0 321.399 -0.339 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](OCCOC)C1 ZINC000845534507 805710565 /nfs/dbraw/zinc/71/05/65/805710565.db2.gz FNRRKZBSDXJWIV-LLVKDONJSA-N -1 0 303.359 -0.109 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCOC[C@H]1OCCOC ZINC000845537530 805711851 /nfs/dbraw/zinc/71/18/51/805711851.db2.gz KGPQCUBMJBBEPR-GHMZBOCLSA-N -1 0 319.358 -0.826 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)[C@H](C)C(=O)NC(C)(C)C ZINC000845538726 805711876 /nfs/dbraw/zinc/71/18/76/805711876.db2.gz WPOAHKVXOKUBSC-SECBINFHSA-N -1 0 302.375 -0.001 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000845539807 805711927 /nfs/dbraw/zinc/71/19/27/805711927.db2.gz JHSXGLBMNNTXKE-VIFPVBQESA-N -1 0 307.372 -0.727 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000845539391 805711933 /nfs/dbraw/zinc/71/19/33/805711933.db2.gz GLIAGZPSFPFFCS-JTQLQIEISA-N -1 0 313.358 -0.700 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1ccc(NC(C)=O)nc1 ZINC000845539257 805712157 /nfs/dbraw/zinc/71/21/57/805712157.db2.gz UKLJWKCLEABPDX-UHFFFAOYSA-N -1 0 309.326 -0.093 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)[C@@H](C)CN1CCOCC1 ZINC000845539273 805712258 /nfs/dbraw/zinc/71/22/58/805712258.db2.gz UXJXTULWTDCLJX-NSHDSACASA-N -1 0 302.375 -0.584 20 0 DBADRM CCCN1CCCN(C(=O)NCC(=O)[N-]OCC)CC1=O ZINC000845538429 805712328 /nfs/dbraw/zinc/71/23/28/805712328.db2.gz TUKDQKLSOJZHAR-UHFFFAOYSA-N -1 0 300.359 -0.292 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(CC(=O)N(C)C)CC1 ZINC000845539435 805712350 /nfs/dbraw/zinc/71/23/50/805712350.db2.gz HDZWTAAGBMZBJT-UHFFFAOYSA-N -1 0 314.386 -0.046 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000845539325 805712445 /nfs/dbraw/zinc/71/24/45/805712445.db2.gz DKPMVQUCEZNZRP-VIFPVBQESA-N -1 0 307.372 -0.679 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@@H](COCCOC)C1 ZINC000845543439 805713146 /nfs/dbraw/zinc/71/31/46/805713146.db2.gz AOXKEDVKMAZKGO-LLVKDONJSA-N -1 0 303.359 -0.251 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000845542361 805713197 /nfs/dbraw/zinc/71/31/97/805713197.db2.gz WMABFHSGNRGPPT-QWRGUYRKSA-N -1 0 312.370 -0.246 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@H](COCCOC)C1 ZINC000845543440 805713365 /nfs/dbraw/zinc/71/33/65/805713365.db2.gz AOXKEDVKMAZKGO-NSHDSACASA-N -1 0 303.359 -0.251 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000845542011 805713414 /nfs/dbraw/zinc/71/34/14/805713414.db2.gz YCLHKZOCAAPTNO-UHFFFAOYSA-N -1 0 310.236 -0.310 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(CC)[C@@H](C)CS(=O)(=O)CC ZINC000845546359 805713986 /nfs/dbraw/zinc/71/39/86/805713986.db2.gz RRLAFOAZHHWFJC-JTQLQIEISA-N -1 0 323.415 -0.091 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(Cc2cccnc2)CC1 ZINC000845551923 805715825 /nfs/dbraw/zinc/71/58/25/805715825.db2.gz HVBKANQXNAPRRJ-UHFFFAOYSA-N -1 0 321.381 -0.024 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(CNC(C)=O)CC1 ZINC000845549399 805715842 /nfs/dbraw/zinc/71/58/42/805715842.db2.gz HPBMEASCKROOML-UHFFFAOYSA-N -1 0 300.359 -0.388 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000845554118 805715984 /nfs/dbraw/zinc/71/59/84/805715984.db2.gz AENNLOYADHSIIC-UHFFFAOYSA-N -1 0 318.355 -0.468 20 0 DBADRM COCCO[N-]C(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 ZINC000845719666 805725110 /nfs/dbraw/zinc/72/51/10/805725110.db2.gz XUWZFECQGNVHEZ-LBPRGKRZSA-N -1 0 314.313 -0.461 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)CNC(C)=O)c1 ZINC000845883373 805730945 /nfs/dbraw/zinc/73/09/45/805730945.db2.gz NUWJRVASOWGIQZ-UHFFFAOYSA-N -1 0 304.280 -0.993 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1cc(C(=O)OC)co1 ZINC000845877868 805731106 /nfs/dbraw/zinc/73/11/06/805731106.db2.gz CDQYROZMPYEYOE-UHFFFAOYSA-N -1 0 320.279 -0.773 20 0 DBADRM CO[C@@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)C(F)(F)F ZINC000846000689 805738546 /nfs/dbraw/zinc/73/85/46/805738546.db2.gz SFWNTLCUXSQJCK-LURJTMIESA-N -1 0 320.289 -0.464 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cnn2c1OCCC2 ZINC000846003586 805739776 /nfs/dbraw/zinc/73/97/76/805739776.db2.gz ZKUPGZHEJYIDCM-UHFFFAOYSA-N -1 0 304.328 -0.988 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)CCOCC(F)(F)F ZINC000846004113 805739790 /nfs/dbraw/zinc/73/97/90/805739790.db2.gz YRHVHHUOADMIDY-UHFFFAOYSA-N -1 0 308.278 -0.448 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000846002742 805739906 /nfs/dbraw/zinc/73/99/06/805739906.db2.gz MVDAFPQBNVGXRY-LLVKDONJSA-N -1 0 324.399 -0.585 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cccc2c1OCCO2 ZINC000846002661 805739938 /nfs/dbraw/zinc/73/99/38/805739938.db2.gz SLEQUXFZTKBLNZ-UHFFFAOYSA-N -1 0 316.335 -0.196 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000846002743 805740126 /nfs/dbraw/zinc/74/01/26/805740126.db2.gz MVDAFPQBNVGXRY-NSHDSACASA-N -1 0 324.399 -0.585 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC ZINC000846003341 805740154 /nfs/dbraw/zinc/74/01/54/805740154.db2.gz WGTWTAJRWOJSPU-ZJUUUORDSA-N -1 0 322.383 -0.295 20 0 DBADRM COc1ccccc1CO[N-]C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000846067218 805741663 /nfs/dbraw/zinc/74/16/63/805741663.db2.gz PAXIMOIHEUMXCJ-SNVBAGLBSA-N -1 0 300.336 -0.065 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000846130391 805744286 /nfs/dbraw/zinc/74/42/86/805744286.db2.gz BOIYPZBFIJPZPV-UHFFFAOYSA-N -1 0 322.321 -0.233 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C)cc(C(N)=O)c1 ZINC000846132714 805744967 /nfs/dbraw/zinc/74/49/67/805744967.db2.gz MUMDPCKPEAIYOT-UHFFFAOYSA-N -1 0 322.321 -0.784 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccnn1CC1CC1 ZINC000846133545 805745147 /nfs/dbraw/zinc/74/51/47/805745147.db2.gz UVMCQTYCPJPHGS-UHFFFAOYSA-N -1 0 309.326 -0.585 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)ncn2C ZINC000846131309 805745319 /nfs/dbraw/zinc/74/53/19/805745319.db2.gz NTDPUHOQRCFHTO-UHFFFAOYSA-N -1 0 319.321 -0.304 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000846133493 805745700 /nfs/dbraw/zinc/74/57/00/805745700.db2.gz SXSPCBLWAPNUKX-UHFFFAOYSA-N -1 0 323.353 -0.097 20 0 DBADRM CCCc1cc(NC(=O)C(=O)NCC(=O)[N-]OCC)n(C)n1 ZINC000846133806 805746094 /nfs/dbraw/zinc/74/60/94/805746094.db2.gz YHPPKPFKZYGPPK-UHFFFAOYSA-N -1 0 311.342 -0.505 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(F)c(OC)c1 ZINC000846133803 805746587 /nfs/dbraw/zinc/74/65/87/805746587.db2.gz YCGOOCRQLHVXNF-UHFFFAOYSA-N -1 0 313.285 -0.043 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cc2c(ncnc2N(C)C)n1C ZINC000846492629 805756657 /nfs/dbraw/zinc/75/66/57/805756657.db2.gz BIPSJQVLEYNHGR-UHFFFAOYSA-N -1 0 320.353 -0.168 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cnc2scc(C)n2c1=O ZINC000846493463 805756801 /nfs/dbraw/zinc/75/68/01/805756801.db2.gz GLWBUDGEBWYCRT-UHFFFAOYSA-N -1 0 310.335 -0.138 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@](C)(O)Cn1c(C)cccc1=O ZINC000846491802 805756869 /nfs/dbraw/zinc/75/68/69/805756869.db2.gz SSHLRKDOIYCTKF-AWEZNQCLSA-N -1 0 311.338 -0.908 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(-n2nnnc2C)cc1 ZINC000846491586 805757010 /nfs/dbraw/zinc/75/70/10/805757010.db2.gz POSNXXQHJLJUPT-UHFFFAOYSA-N -1 0 304.310 -0.232 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cnc2c(cnn2C)c1OC ZINC000846492564 805757070 /nfs/dbraw/zinc/75/70/70/805757070.db2.gz COSDUOTYKRHFPF-UHFFFAOYSA-N -1 0 307.310 -0.226 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cnc(C2OCCO2)s1 ZINC000846492022 805757083 /nfs/dbraw/zinc/75/70/83/805757083.db2.gz VGYPYFYGOGVFLD-UHFFFAOYSA-N -1 0 301.324 -0.014 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC000846490166 805757090 /nfs/dbraw/zinc/75/70/90/805757090.db2.gz GGJMJQYIKHMBEP-VIFPVBQESA-N -1 0 315.326 -0.343 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000846492921 805757139 /nfs/dbraw/zinc/75/71/39/805757139.db2.gz HKJYCPREQKNTCQ-SSDOTTSWSA-N -1 0 311.260 -0.276 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cn1c(=O)cnc2ccccc21 ZINC000846496881 805757867 /nfs/dbraw/zinc/75/78/67/805757867.db2.gz FKKRJFPXSXDDKH-UHFFFAOYSA-N -1 0 304.306 -0.420 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000846497517 805757918 /nfs/dbraw/zinc/75/79/18/805757918.db2.gz OPLDQQMHHZVAKD-JTQLQIEISA-N -1 0 321.399 -0.768 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cc(S(N)(=O)=O)c(C)o1 ZINC000846495001 805758486 /nfs/dbraw/zinc/75/84/86/805758486.db2.gz ZLGGKIVLCDXWSO-UHFFFAOYSA-N -1 0 305.312 -0.967 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CCn1c2ccccc2n(C)c1=O ZINC000846498713 805758966 /nfs/dbraw/zinc/75/89/66/805758966.db2.gz MZBBYGYJIQUTAD-UHFFFAOYSA-N -1 0 320.349 -0.086 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNS(=O)(=O)c1cccs1 ZINC000846498189 805759050 /nfs/dbraw/zinc/75/90/50/805759050.db2.gz VBDKTUBXPUGIBZ-UHFFFAOYSA-N -1 0 321.380 -0.790 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CN1c2ccccc2OCCC1=O ZINC000846498739 805759263 /nfs/dbraw/zinc/75/92/63/805759263.db2.gz WTXUOAMGFDEAFQ-UHFFFAOYSA-N -1 0 321.333 -0.014 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cc(S(N)(=O)=O)ccc1C ZINC000846497946 805759418 /nfs/dbraw/zinc/75/94/18/805759418.db2.gz RLADMUUYSYZRJO-UHFFFAOYSA-N -1 0 315.351 -0.560 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000846499862 805759662 /nfs/dbraw/zinc/75/96/62/805759662.db2.gz ZVLFVHUOOVUYQV-UHFFFAOYSA-N -1 0 320.305 -0.313 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC000846498373 805759674 /nfs/dbraw/zinc/75/96/74/805759674.db2.gz UMFNGFAUJUURGE-UHFFFAOYSA-N -1 0 319.317 -0.225 20 0 DBADRM CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)c1cc(=O)[nH][n-]1 ZINC000846516752 805761993 /nfs/dbraw/zinc/76/19/93/805761993.db2.gz KPRPFLGWQRRPBO-JTQLQIEISA-N -1 0 311.338 -0.131 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)Cn2ccc(=O)[nH]c2=O)[n-]1 ZINC000846651544 805767654 /nfs/dbraw/zinc/76/76/54/805767654.db2.gz VTVDNANUKGEQRB-UHFFFAOYSA-N -1 0 307.266 -0.513 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)CS(=O)(=O)CCOC)[n-]1 ZINC000846650221 805767634 /nfs/dbraw/zinc/76/76/34/805767634.db2.gz FSGYSODXEOOYOJ-UHFFFAOYSA-N -1 0 319.339 -0.414 20 0 DBADRM CC(F)(F)C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001298218714 805768964 /nfs/dbraw/zinc/76/89/64/805768964.db2.gz YVJOYBRHMIUZFM-IHWYPQMZSA-N -1 0 317.252 -0.660 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000846703922 805771725 /nfs/dbraw/zinc/77/17/25/805771725.db2.gz AWTVSBHEQACPJK-LBPRGKRZSA-N -1 0 304.368 -0.147 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000846705656 805772118 /nfs/dbraw/zinc/77/21/18/805772118.db2.gz UPMNTRMHBUHSOT-ZJUUUORDSA-N -1 0 307.368 -0.335 20 0 DBADRM CN(C)c1ccc(N2C(=O)C[C@@H](NCc3nnn[n-]3)C2=O)cc1 ZINC000846702693 805772560 /nfs/dbraw/zinc/77/25/60/805772560.db2.gz OVAKSUJGBWRQIT-LLVKDONJSA-N -1 0 315.337 -0.313 20 0 DBADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000846702279 805772608 /nfs/dbraw/zinc/77/26/08/805772608.db2.gz DRLIMKVHTIXEQA-JTQLQIEISA-N -1 0 310.331 -0.034 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCS(=O)(=O)CC[C@@H]1C ZINC000846723671 805773776 /nfs/dbraw/zinc/77/37/76/805773776.db2.gz HQZBLVVCPHGGBQ-VIFPVBQESA-N -1 0 307.372 -0.727 20 0 DBADRM CC(C)C(=O)NC/C=C/CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001298267922 805775428 /nfs/dbraw/zinc/77/54/28/805775428.db2.gz RAVDCOFHMLZXNM-ONEGZZNKSA-N -1 0 323.353 -0.340 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)[N-]O[C@@H](CO)C(C)C)C1=O ZINC001298376883 805794254 /nfs/dbraw/zinc/79/42/54/805794254.db2.gz HGSKZGOLFMJGNR-QWRGUYRKSA-N -1 0 316.354 -0.537 20 0 DBADRM O=C(c1ccc2c(n1)OCCO2)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000847471953 805801788 /nfs/dbraw/zinc/80/17/88/805801788.db2.gz IBENVWWNIBVQRQ-JTQLQIEISA-N -1 0 318.293 -0.420 20 0 DBADRM COc1cnc(F)c(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1 ZINC000847473286 805801951 /nfs/dbraw/zinc/80/19/51/805801951.db2.gz RCWZBOSWSFDZLE-VIFPVBQESA-N -1 0 308.273 -0.044 20 0 DBADRM CN(C)c1cnc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cn1 ZINC000847621641 805809473 /nfs/dbraw/zinc/80/94/73/805809473.db2.gz YTRJCCIDHZSKJV-UHFFFAOYSA-N -1 0 310.339 -0.605 20 0 DBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)CC2CCC2)c(=O)n1C ZINC000847667373 805812076 /nfs/dbraw/zinc/81/20/76/805812076.db2.gz AQVBVBOSNAINJQ-UHFFFAOYSA-N -1 0 302.356 -0.864 20 0 DBADRM O=C([N-]S(=O)(=O)CC1CCC1)c1ccc(-n2cnnn2)cn1 ZINC000847667735 805811413 /nfs/dbraw/zinc/81/14/13/805811413.db2.gz GHJQDSNASFVORI-UHFFFAOYSA-N -1 0 322.350 -0.083 20 0 DBADRM CN(C)c1cnc(C(=O)[N-]S(=O)(=O)c2ccnn2C)cn1 ZINC000847683766 805811478 /nfs/dbraw/zinc/81/14/78/805811478.db2.gz NUCSPVYZQBNNCL-UHFFFAOYSA-N -1 0 310.339 -0.605 20 0 DBADRM CN(C)c1cnc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)cn1 ZINC000847677679 805811582 /nfs/dbraw/zinc/81/15/82/805811582.db2.gz JWXQIJMMRSQPKI-VIFPVBQESA-N -1 0 314.367 -0.219 20 0 DBADRM CC(C)(C)OCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995444 805818651 /nfs/dbraw/zinc/81/86/51/805818651.db2.gz FBWIQMSPWJTNLS-UHFFFAOYSA-N -1 0 305.312 -0.607 20 0 DBADRM CC(C)OCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996557 805818767 /nfs/dbraw/zinc/81/87/67/805818767.db2.gz PAZKEIJYZIAYAS-UHFFFAOYSA-N -1 0 305.312 -0.607 20 0 DBADRM CCc1c(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)cnn1C ZINC000847843520 805816107 /nfs/dbraw/zinc/81/61/07/805816107.db2.gz HZRZQJDSONYAOU-UHFFFAOYSA-N -1 0 311.367 -0.024 20 0 DBADRM COC[C@]1(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)CCOC1 ZINC000847848552 805816119 /nfs/dbraw/zinc/81/61/19/805816119.db2.gz PZKPNUKXDIUFCZ-GFCCVEGCSA-N -1 0 317.367 -0.581 20 0 DBADRM COCCOCC(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001298570940 805817006 /nfs/dbraw/zinc/81/70/06/805817006.db2.gz MWXQDRGBSWAOCK-MRVPVSSYSA-N -1 0 314.342 -0.679 20 0 DBADRM CS[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996608 805818944 /nfs/dbraw/zinc/81/89/44/805818944.db2.gz NOQSRWHGKMXAIX-YFKPBYRVSA-N -1 0 307.353 -0.280 20 0 DBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)C2SCCS2)on1 ZINC000847996720 805819090 /nfs/dbraw/zinc/81/90/90/805819090.db2.gz OYBYPPFMTJSOGA-UHFFFAOYSA-N -1 0 323.377 -0.616 20 0 DBADRM CC(C)SCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996886 805819304 /nfs/dbraw/zinc/81/93/04/805819304.db2.gz TUFSQBSCDOSWIB-UHFFFAOYSA-N -1 0 307.353 -0.280 20 0 DBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)CCOCC2CC2)on1 ZINC000847995879 805819365 /nfs/dbraw/zinc/81/93/65/805819365.db2.gz HYWOCJKCJIRCRX-UHFFFAOYSA-N -1 0 317.323 -0.605 20 0 DBADRM CCC(C)(C)OCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998498 805819682 /nfs/dbraw/zinc/81/96/82/805819682.db2.gz YMLWNIWERZEWNO-UHFFFAOYSA-N -1 0 319.339 -0.216 20 0 DBADRM C[C@@H]1C[C@H](C)[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)O1 ZINC000847998084 805820163 /nfs/dbraw/zinc/82/01/63/805820163.db2.gz LBYBXOBXANMRDO-CCGCGBOQSA-N -1 0 317.323 -0.608 20 0 DBADRM CN1C(=O)C[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1=O ZINC000848049168 805822342 /nfs/dbraw/zinc/82/23/42/805822342.db2.gz NCQKZGWKPCIZPJ-YFKPBYRVSA-N -1 0 309.244 -0.683 20 0 DBADRM CC(C)=CC(=O)N[C@@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001298728946 805828824 /nfs/dbraw/zinc/82/88/24/805828824.db2.gz AAVFMFWXKIWFHH-VIFPVBQESA-N -1 0 308.338 -0.313 20 0 DBADRM CC(C)[C@H](CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000848451340 805838269 /nfs/dbraw/zinc/83/82/69/805838269.db2.gz RWSFCZNHXKRMDM-QRGHLMKCSA-N -1 0 323.349 -0.430 20 0 DBADRM COc1cccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1F ZINC000848448596 805838384 /nfs/dbraw/zinc/83/83/84/805838384.db2.gz RJIGGKGPRYLMPW-UHFFFAOYSA-N -1 0 317.298 -0.078 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000848607965 805842349 /nfs/dbraw/zinc/84/23/49/805842349.db2.gz MYPWAXDPIWGGTK-BDAKNGLRSA-N -1 0 315.326 -0.830 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC(=O)N(C)C[C@H]1C)C(=O)[O-] ZINC000848611091 805842838 /nfs/dbraw/zinc/84/28/38/805842838.db2.gz YYKBETFGXCAXHI-NXEZZACHSA-N -1 0 313.354 -0.852 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCOC[C@H](C)C1)C(=O)[O-] ZINC000848610471 805842898 /nfs/dbraw/zinc/84/28/98/805842898.db2.gz UWUFDTRPVXHNFW-GHMZBOCLSA-N -1 0 300.355 -0.046 20 0 DBADRM CCOC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000848609835 805842957 /nfs/dbraw/zinc/84/29/57/805842957.db2.gz JMTYTLNHXSWSCU-SECBINFHSA-N -1 0 315.326 -0.876 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCOC[C@@H](C)C1)C(=O)[O-] ZINC000848610476 805842987 /nfs/dbraw/zinc/84/29/87/805842987.db2.gz UWUFDTRPVXHNFW-QWRGUYRKSA-N -1 0 300.355 -0.046 20 0 DBADRM Cc1noc(C2CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C2)n1 ZINC000848612402 805843206 /nfs/dbraw/zinc/84/32/06/805843206.db2.gz MTDMMYRRVNVCSP-JTQLQIEISA-N -1 0 324.337 -0.223 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC(CCCO)CC1)C(=O)[O-] ZINC000848611137 805843319 /nfs/dbraw/zinc/84/33/19/805843319.db2.gz SGEWBBXQPZCQKT-SNVBAGLBSA-N -1 0 300.355 -0.166 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000848611121 805843369 /nfs/dbraw/zinc/84/33/69/805843369.db2.gz ZIERRVRLJOHTNI-SECBINFHSA-N -1 0 322.383 -0.895 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848611703 805843404 /nfs/dbraw/zinc/84/34/04/805843404.db2.gz RTVUYJVBNGOWEQ-SECBINFHSA-N -1 0 313.310 -0.933 20 0 DBADRM CCN1CC[C@@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1=O ZINC000848610495 805843487 /nfs/dbraw/zinc/84/34/87/805843487.db2.gz MAXJYILEQFULFS-VHSXEESVSA-N -1 0 313.354 -0.804 20 0 DBADRM CC/C(C)=C/C(=O)N1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001299071593 805856847 /nfs/dbraw/zinc/85/68/47/805856847.db2.gz QLOGWHFEBBJYRN-OLKPEBQYSA-N -1 0 323.353 -0.237 20 0 DBADRM O=C(NC[C@@H](O)Cn1ccnn1)c1n[n-]c2ccccc2c1=O ZINC001299095690 805859477 /nfs/dbraw/zinc/85/94/77/805859477.db2.gz HNAIVRYCXAGYOZ-SECBINFHSA-N -1 0 314.305 -0.282 20 0 DBADRM CCC1CCN(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])CC1 ZINC000849218218 805859622 /nfs/dbraw/zinc/85/96/22/805859622.db2.gz QHAPVJHWFUJZHW-MNOVXSKESA-N -1 0 306.384 -0.127 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCN(C)OC ZINC000849408474 805870321 /nfs/dbraw/zinc/87/03/21/805870321.db2.gz MUTSHXOCZLMJRL-UHFFFAOYSA-N -1 0 309.369 -0.299 20 0 DBADRM CNC(=O)CC(=O)N1CC[C@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001299527211 805889778 /nfs/dbraw/zinc/88/97/78/805889778.db2.gz ONJTZAAICAAUBB-AWEZNQCLSA-N -1 0 323.353 -0.719 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(OCC)c(C)n1 ZINC000850476204 805891778 /nfs/dbraw/zinc/89/17/78/805891778.db2.gz KEJQXSCSBYLFKH-UHFFFAOYSA-N -1 0 324.337 -0.089 20 0 DBADRM COc1ncc(NC(=O)C(=O)[N-]OCC2CCC2)cc1C(N)=O ZINC000850718672 805900795 /nfs/dbraw/zinc/90/07/95/805900795.db2.gz XQULMPXHKWMFFU-UHFFFAOYSA-N -1 0 322.321 -0.025 20 0 DBADRM COc1cc(NCCCNC(=O)CCc2nnn[n-]2)ncn1 ZINC001299787087 805901927 /nfs/dbraw/zinc/90/19/27/805901927.db2.gz HTUQHKKICYBQBQ-UHFFFAOYSA-N -1 0 306.330 -0.451 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)[N-]S(=O)(=O)c1cccnc1 ZINC000850737841 805902264 /nfs/dbraw/zinc/90/22/64/805902264.db2.gz WAWNUGFUPCNVIM-UHFFFAOYSA-N -1 0 324.362 -0.214 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)[N-]S(=O)(=O)c2cccnc2)n1 ZINC000850736106 805902284 /nfs/dbraw/zinc/90/22/84/805902284.db2.gz FEJBJGFKFOWKMI-UHFFFAOYSA-N -1 0 324.366 -0.129 20 0 DBADRM CC1(CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])OCCO1 ZINC000850787460 805902370 /nfs/dbraw/zinc/90/23/70/805902370.db2.gz ZJCXTIBWGVYZIM-UHFFFAOYSA-N -1 0 309.278 -0.403 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N[C@@H](CCO)C1CC1 ZINC000850785896 805902463 /nfs/dbraw/zinc/90/24/63/805902463.db2.gz JQJXVRHYXGEGGD-VIFPVBQESA-N -1 0 307.306 -0.005 20 0 DBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000850798297 805903748 /nfs/dbraw/zinc/90/37/48/805903748.db2.gz MYTBRAISHUKGFM-ZCFIWIBFSA-N -1 0 311.747 -0.460 20 0 DBADRM Cn1ccnc1C(NC(=O)CCc1nnn[n-]1)c1nccn1C ZINC001300994343 805903807 /nfs/dbraw/zinc/90/38/07/805903807.db2.gz HXLWNCQGNUJTFV-UHFFFAOYSA-N -1 0 315.341 -0.495 20 0 DBADRM COCCCOCCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000850862325 805905141 /nfs/dbraw/zinc/90/51/41/805905141.db2.gz LWCWUNSQABNVLC-UHFFFAOYSA-N -1 0 310.372 -0.877 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1nnc2ccc(Cl)cn21 ZINC001301192528 805905145 /nfs/dbraw/zinc/90/51/45/805905145.db2.gz ZDNIMKWGNGLYQZ-UHFFFAOYSA-N -1 0 323.700 -0.298 20 0 DBADRM O=C([N-]S(=O)(=O)CC(F)(F)F)c1ccn2nnnc2c1 ZINC000850863255 805905787 /nfs/dbraw/zinc/90/57/87/805905787.db2.gz MTYPNWVCTOAZMF-UHFFFAOYSA-N -1 0 309.229 -0.254 20 0 DBADRM C[C@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)[C@@H]1CCCO1 ZINC000850862808 805905843 /nfs/dbraw/zinc/90/58/43/805905843.db2.gz WIBHNGCNQNCOPR-MNOVXSKESA-N -1 0 306.384 -0.115 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](OC)C1 ZINC000850897201 805906324 /nfs/dbraw/zinc/90/63/24/805906324.db2.gz KOQVYXJWMHMCPG-WDEREUQCSA-N -1 0 309.384 -0.090 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001301814914 805907672 /nfs/dbraw/zinc/90/76/72/805907672.db2.gz IAXYLEYYPSVLKZ-ZETCQYMHSA-N -1 0 305.298 -0.600 20 0 DBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)n1 ZINC000850934613 805908146 /nfs/dbraw/zinc/90/81/46/805908146.db2.gz WWLNVYBYXCNYSQ-MRVPVSSYSA-N -1 0 317.371 -0.333 20 0 DBADRM Cc1nc2c(nccc2C(=O)N2CCOC[C@H]2c2nnn[n-]2)[nH]1 ZINC001302136883 805908145 /nfs/dbraw/zinc/90/81/45/805908145.db2.gz GXZGEMHKSWMMBV-VIFPVBQESA-N -1 0 314.309 -0.007 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1ccn2nnnc2c1 ZINC000850933581 805908395 /nfs/dbraw/zinc/90/83/95/805908395.db2.gz CESFJRHPKKEIQD-SECBINFHSA-N -1 0 311.323 -0.637 20 0 DBADRM CCCn1nccc1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000850942087 805908402 /nfs/dbraw/zinc/90/84/02/805908402.db2.gz CIPDKVGXSFCZAY-QMMMGPOBSA-N -1 0 303.340 -0.086 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H](COC)OC)nc1C ZINC000850920679 805908436 /nfs/dbraw/zinc/90/84/36/805908436.db2.gz FPYYDWNEXMBBQS-SECBINFHSA-N -1 0 305.356 -0.322 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)Cn1cc(C2CC2)cn1 ZINC000850972227 805909316 /nfs/dbraw/zinc/90/93/16/805909316.db2.gz OYPWRAUKUNYYGE-UHFFFAOYSA-N -1 0 310.339 -0.606 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CN1CCN(C2CC2)C1=O ZINC000850988452 805910023 /nfs/dbraw/zinc/91/00/23/805910023.db2.gz QOQUTOBFZLULCP-SECBINFHSA-N -1 0 319.383 -0.633 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CN1CCN(C2CC2)C1=O ZINC000850988453 805910603 /nfs/dbraw/zinc/91/06/03/805910603.db2.gz QOQUTOBFZLULCP-VIFPVBQESA-N -1 0 319.383 -0.633 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000850989441 805910616 /nfs/dbraw/zinc/91/06/16/805910616.db2.gz BEXHWPWNUADOHP-QMMMGPOBSA-N -1 0 319.387 -0.549 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cnc3n2CCOC3)CC1 ZINC000851033791 805911518 /nfs/dbraw/zinc/91/15/18/805911518.db2.gz CKHSGSKPJHVRJU-UHFFFAOYSA-N -1 0 315.351 -0.348 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)[N-]S(=O)(=O)C2(C)CC2)n1 ZINC000851022791 805912052 /nfs/dbraw/zinc/91/20/52/805912052.db2.gz MIISTEWIWLNVPZ-UHFFFAOYSA-N -1 0 301.372 -0.031 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1c(Cl)cnn1C ZINC000851022340 805912119 /nfs/dbraw/zinc/91/21/19/805912119.db2.gz VXRUHYBGBGKFPQ-UHFFFAOYSA-N -1 0 309.731 -0.304 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)CN2CCN(C3CC3)C2=O)CC1 ZINC000851023131 805912139 /nfs/dbraw/zinc/91/21/39/805912139.db2.gz WUGJRZYSHCURJO-UHFFFAOYSA-N -1 0 301.368 -0.115 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001303199797 805913214 /nfs/dbraw/zinc/91/32/14/805913214.db2.gz QJYDFUZHYPSOHX-SECBINFHSA-N -1 0 308.342 -0.278 20 0 DBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2cnc3n2CCC3)cn1 ZINC000851112895 805913470 /nfs/dbraw/zinc/91/34/70/805913470.db2.gz NVDSMKPPDJNERN-UHFFFAOYSA-N -1 0 309.351 -0.177 20 0 DBADRM O=C(N[C@H]1Cc2cnccc2NC1=O)c1c[n-]n2c1nccc2=O ZINC001303215134 805913915 /nfs/dbraw/zinc/91/39/15/805913915.db2.gz VFBMYEQXTPGJAS-NSHDSACASA-N -1 0 324.300 -0.289 20 0 DBADRM CC1(Cn2cc(C(=O)[N-]S(=O)(=O)CC(F)F)nn2)COC1 ZINC000851360231 805915662 /nfs/dbraw/zinc/91/56/62/805915662.db2.gz BFEOEZMYWPTQPM-UHFFFAOYSA-N -1 0 324.309 -0.361 20 0 DBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(F)F)cn1 ZINC000851361024 805915812 /nfs/dbraw/zinc/91/58/12/805915812.db2.gz KXARDCIVTOLQGZ-UHFFFAOYSA-N -1 0 307.278 -0.234 20 0 DBADRM COc1cc(CS(=O)(=O)[N-]C(=O)c2cnn(C)n2)sn1 ZINC000851437301 805916569 /nfs/dbraw/zinc/91/65/69/805916569.db2.gz DTCDMNIZFLNKBH-UHFFFAOYSA-N -1 0 317.352 -0.460 20 0 DBADRM COc1cc(CS(=O)(=O)[N-]C(=O)[C@@H](C)NC(C)=O)sn1 ZINC000851434621 805916842 /nfs/dbraw/zinc/91/68/42/805916842.db2.gz QRYQKDQUQJJALB-ZCFIWIBFSA-N -1 0 321.380 -0.378 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCN1CCCC1=O ZINC000851499974 805917672 /nfs/dbraw/zinc/91/76/72/805917672.db2.gz BPHNASIUNLIHAB-UHFFFAOYSA-N -1 0 322.383 -0.894 20 0 DBADRM CCc1ocnc1C(=O)[N-]S(=O)(=O)C(COC)COC ZINC000851501135 805918375 /nfs/dbraw/zinc/91/83/75/805918375.db2.gz KOPSBRGBLSUYCI-UHFFFAOYSA-N -1 0 306.340 -0.042 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCc1cnccn1 ZINC000851501584 805918440 /nfs/dbraw/zinc/91/84/40/805918440.db2.gz BDKFJCRTRMKOGO-UHFFFAOYSA-N -1 0 317.367 -0.483 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC000851502088 805918682 /nfs/dbraw/zinc/91/86/82/805918682.db2.gz MGRCMJHCXQIXIQ-FXPVBKGRSA-N -1 0 309.384 -0.093 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCc1ccncn1 ZINC000851502428 805918712 /nfs/dbraw/zinc/91/87/12/805918712.db2.gz PDTSWXMGXJFIDI-UHFFFAOYSA-N -1 0 317.367 -0.483 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000851501785 805918721 /nfs/dbraw/zinc/91/87/21/805918721.db2.gz CIFKVZOEUNKPGN-GMTAPVOTSA-N -1 0 307.368 -0.481 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)/C=C/c1ccncn1 ZINC000851501767 805918778 /nfs/dbraw/zinc/91/87/78/805918778.db2.gz CCSRGAGCCFTXTR-ONEGZZNKSA-N -1 0 315.351 -0.403 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCOCC(F)F ZINC000851502947 805918911 /nfs/dbraw/zinc/91/89/11/805918911.db2.gz ZOSWSJGKUSUOBY-UHFFFAOYSA-N -1 0 319.326 -0.234 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cncc(OC)n1 ZINC000851502389 805918927 /nfs/dbraw/zinc/91/89/27/805918927.db2.gz NVEGKONHJSDBBF-UHFFFAOYSA-N -1 0 319.339 -0.794 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C[C@H]1CCCC(=O)N1 ZINC000851504443 805919292 /nfs/dbraw/zinc/91/92/92/805919292.db2.gz XNDKOZGZRJDWDA-SECBINFHSA-N -1 0 322.383 -0.847 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)C(COC)COC)n1 ZINC000851503848 805919539 /nfs/dbraw/zinc/91/95/39/805919539.db2.gz MTPLPVFSWVHBOF-UHFFFAOYSA-N -1 0 306.344 -0.981 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@]1(C)CCCOC1 ZINC000851503375 805919772 /nfs/dbraw/zinc/91/97/72/805919772.db2.gz XCFMEVNEHZWJCS-GFCCVEGCSA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H](OC)[C@H]2CCOC2)C1 ZINC000851607731 805920312 /nfs/dbraw/zinc/92/03/12/805920312.db2.gz RRTXFFZDFOIAQQ-WDMOLILDSA-N -1 0 301.339 -0.012 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CC1(n2cnnn2)CCOCC1 ZINC000851606435 805920384 /nfs/dbraw/zinc/92/03/84/805920384.db2.gz PANCITMIIVRPHP-GHMZBOCLSA-N -1 0 323.353 -0.110 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)O1 ZINC000851680791 805924192 /nfs/dbraw/zinc/92/41/92/805924192.db2.gz JVHMTRCLUVUWOK-VIFPVBQESA-N -1 0 314.338 -0.375 20 0 DBADRM COC(=O)N(C)CCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000851683412 805925504 /nfs/dbraw/zinc/92/55/04/805925504.db2.gz FRRKBFVBROCBAI-DTWKUNHWSA-N -1 0 315.326 -0.830 20 0 DBADRM CO[N-]C(=O)CNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F ZINC001306902844 805927922 /nfs/dbraw/zinc/92/79/22/805927922.db2.gz SVQSYQGMYKSUTM-SNVBAGLBSA-N -1 0 324.259 -0.646 20 0 DBADRM COC(=O)N1CCC(C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000851694959 805929595 /nfs/dbraw/zinc/92/95/95/805929595.db2.gz VBKRUYFMAQYFEA-SNVBAGLBSA-N -1 0 300.311 -0.223 20 0 DBADRM O=C([O-])[C@H]1CC(C(=O)N[C@H]2CCNC2=O)=NN1c1ccccc1 ZINC000851695649 805929801 /nfs/dbraw/zinc/92/98/01/805929801.db2.gz HNCYTHDJPMOBNK-CMPLNLGQSA-N -1 0 316.317 -0.289 20 0 DBADRM COCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851701563 805931611 /nfs/dbraw/zinc/93/16/11/805931611.db2.gz WGKBXCIWAAXSJR-SVRRBLITSA-N -1 0 312.244 -0.245 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2c[nH]nc2Cl)C1=O ZINC001309466239 805937154 /nfs/dbraw/zinc/93/71/54/805937154.db2.gz HCVGQZVHJSCHGR-SECBINFHSA-N -1 0 321.746 -0.023 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC001310048173 805942861 /nfs/dbraw/zinc/94/28/61/805942861.db2.gz FQHHURLQNLRUKE-UHFFFAOYSA-N -1 0 301.324 -0.111 20 0 DBADRM CNC(=O)COc1cccc(CNC(=O)NCC(=O)[N-]OC)c1 ZINC001312655181 805953226 /nfs/dbraw/zinc/95/32/26/805953226.db2.gz AHPMPYQVCVDNOJ-UHFFFAOYSA-N -1 0 324.337 -0.712 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1nc(C(N)=O)cs1 ZINC000852399409 805962932 /nfs/dbraw/zinc/96/29/32/805962932.db2.gz HPDDDCNGUPIHIZ-UHFFFAOYSA-N -1 0 301.328 -0.891 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC1(S(=O)(=O)CC)CC1 ZINC000852399895 805963148 /nfs/dbraw/zinc/96/31/48/805963148.db2.gz VQXSGMVXAKAXML-UHFFFAOYSA-N -1 0 307.372 -0.679 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O ZINC000852399539 805963287 /nfs/dbraw/zinc/96/32/87/805963287.db2.gz LSDYZENTZIQRTD-LLVKDONJSA-N -1 0 320.349 -0.059 20 0 DBADRM COC(=O)N(C)CCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000852914808 805989371 /nfs/dbraw/zinc/98/93/71/805989371.db2.gz HUEIMHJXGDLICP-SECBINFHSA-N -1 0 315.326 -0.924 20 0 DBADRM COCCS(=O)(=O)CC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000852959381 805995154 /nfs/dbraw/zinc/99/51/54/805995154.db2.gz JOCZNEVEVZVEST-SNVBAGLBSA-N -1 0 307.368 -0.335 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC1 ZINC000852950364 805994239 /nfs/dbraw/zinc/99/42/39/805994239.db2.gz ICUAGVLONAFCIY-LBPRGKRZSA-N -1 0 313.398 -0.034 20 0 DBADRM CCN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)[C@@H](C)C(=O)[O-] ZINC000852954648 805995356 /nfs/dbraw/zinc/99/53/56/805995356.db2.gz NVLIBIPLTPOSPJ-NMTCXDENSA-N -1 0 309.322 -0.581 20 0 DBADRM CCc1c(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)cnn1C ZINC000853201836 806001088 /nfs/dbraw/zinc/00/10/88/806001088.db2.gz HYJONFXMLKXNNL-SECBINFHSA-N -1 0 319.383 -0.297 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000852960975 805995539 /nfs/dbraw/zinc/99/55/39/805995539.db2.gz WXFNBMPTBYFRLK-SNVBAGLBSA-N -1 0 318.355 -0.520 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)/C=C\c1ccc(C(N)=O)o1 ZINC000853119759 805997784 /nfs/dbraw/zinc/99/77/84/805997784.db2.gz BDLRCRKDFIISJW-RZAAKKIOSA-N -1 0 316.335 -0.127 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cc(C)[nH]c(=O)c1)OC ZINC000853205171 806001222 /nfs/dbraw/zinc/00/12/22/806001222.db2.gz CDGDVPAOCLOVAI-SNVBAGLBSA-N -1 0 318.351 -0.183 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H](C)c1cnn(C)c1)OC ZINC000853204305 806001260 /nfs/dbraw/zinc/00/12/60/806001260.db2.gz WBJGNZMGHNMFFO-KOLCDFICSA-N -1 0 319.383 -0.369 20 0 DBADRM CCc1cc(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)[nH]n1 ZINC000853202658 806001302 /nfs/dbraw/zinc/00/13/02/806001302.db2.gz QEVYCTIFMATUKW-SECBINFHSA-N -1 0 305.356 -0.307 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C1SCCS1)OC ZINC000853205059 806001309 /nfs/dbraw/zinc/00/13/09/806001309.db2.gz AIKHHFCAWJOUER-SSDOTTSWSA-N -1 0 315.438 -0.100 20 0 DBADRM CCOc1nc(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)co1 ZINC000853205182 806001490 /nfs/dbraw/zinc/00/14/90/806001490.db2.gz CLMHIOSLFDRPHN-MRVPVSSYSA-N -1 0 322.339 -0.206 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]12CCOC2)OC ZINC000853207175 806002113 /nfs/dbraw/zinc/00/21/13/806002113.db2.gz ZRGKPMCSWHCPDK-JFGNBEQYSA-N -1 0 307.368 -0.480 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)c1ccnn1C)OC ZINC000853208116 806002124 /nfs/dbraw/zinc/00/21/24/806002124.db2.gz BEXFWSZDVHERPM-UWVGGRQHSA-N -1 0 319.383 -0.369 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C[C@@H]1CCCOC1)OC ZINC000853207745 806002174 /nfs/dbraw/zinc/00/21/74/806002174.db2.gz IVFCXZJDPXIWQY-QWRGUYRKSA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@@H](C)C1)OC ZINC000853206953 806002185 /nfs/dbraw/zinc/00/21/85/806002185.db2.gz XIOSLWNOUDJMCJ-HBNTYKKESA-N -1 0 309.384 -0.091 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)OC)OC ZINC000853206634 806002318 /nfs/dbraw/zinc/00/23/18/806002318.db2.gz QTHAPQVIFKQIES-BDAKNGLRSA-N -1 0 311.356 -0.707 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H](C)c1ccnn1C)OC ZINC000853208118 806002504 /nfs/dbraw/zinc/00/25/04/806002504.db2.gz BEXFWSZDVHERPM-ZJUUUORDSA-N -1 0 319.383 -0.369 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cc(OC)ccn1)OC ZINC000853209774 806002824 /nfs/dbraw/zinc/00/28/24/806002824.db2.gz RFNWZCUOPXQIEW-JTQLQIEISA-N -1 0 318.351 -0.189 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C[C@@H](C)n1ccnc1)OC ZINC000853208945 806003097 /nfs/dbraw/zinc/00/30/97/806003097.db2.gz JLYVMEORFGXVPA-MNOVXSKESA-N -1 0 319.383 -0.058 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C[C@@H](C)n1cccn1)OC ZINC000853209676 806003375 /nfs/dbraw/zinc/00/33/75/806003375.db2.gz QAAIQUZRNVKTTG-MNOVXSKESA-N -1 0 319.383 -0.058 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)/C=C/[C@H]1CCCO1)OC ZINC000853210242 806003865 /nfs/dbraw/zinc/00/38/65/806003865.db2.gz YZUJSOWFEDCJDO-XIJCSBCJSA-N -1 0 307.368 -0.171 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)/C=C\[C@H]1CCCO1)OC ZINC000853210239 806004254 /nfs/dbraw/zinc/00/42/54/806004254.db2.gz YZUJSOWFEDCJDO-ADRPCIBZSA-N -1 0 307.368 -0.171 20 0 DBADRM CN(CCN1CCCS1(=O)=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000853325317 806004918 /nfs/dbraw/zinc/00/49/18/806004918.db2.gz GXVZBXHGHWIUTC-GFCCVEGCSA-N -1 0 319.427 -0.041 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCN1C[C@H](C)OC[C@H]1C ZINC000854216310 806029314 /nfs/dbraw/zinc/02/93/14/806029314.db2.gz YPIUOOBFDLZWCD-MNOVXSKESA-N -1 0 302.375 -0.538 20 0 DBADRM COCCCO[N-]C(=O)CNS(=O)(=O)c1ccccc1N ZINC000854449974 806036780 /nfs/dbraw/zinc/03/67/80/806036780.db2.gz XZIGEHDALYKWQF-UHFFFAOYSA-N -1 0 317.367 -0.369 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000854610206 806045939 /nfs/dbraw/zinc/04/59/39/806045939.db2.gz CZHPGPLWPMOBJR-MRVPVSSYSA-N -1 0 318.293 -0.797 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000854612452 806046911 /nfs/dbraw/zinc/04/69/11/806046911.db2.gz NFZXLAWQMZTWTM-BDAKNGLRSA-N -1 0 309.326 -0.059 20 0 DBADRM CN(C)c1cnn(C2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)c1 ZINC000854653521 806049273 /nfs/dbraw/zinc/04/92/73/806049273.db2.gz CZPMUDDKABSUGU-UHFFFAOYSA-N -1 0 304.354 -0.012 20 0 DBADRM CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001317000148 806066801 /nfs/dbraw/zinc/06/68/01/806066801.db2.gz IZPSXLKVWXBGIK-NXEZZACHSA-N -1 0 324.385 -0.652 20 0 DBADRM Cc1cc(C(=O)NOCC[NH+](C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000854945145 806067480 /nfs/dbraw/zinc/06/74/80/806067480.db2.gz CPPLEVVMPXMHKY-UHFFFAOYSA-N -1 0 307.310 -0.033 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000855024912 806069346 /nfs/dbraw/zinc/06/93/46/806069346.db2.gz TVGWIHVSQVZHBC-OAHLLOKOSA-N -1 0 305.334 -0.372 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1sccc1S(N)(=O)=O ZINC000855023706 806069426 /nfs/dbraw/zinc/06/94/26/806069426.db2.gz FKNNBLHRFDKOKM-UHFFFAOYSA-N -1 0 307.353 -0.807 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)Cn1cc([C@H](C)O)nn1 ZINC000855132289 806070553 /nfs/dbraw/zinc/07/05/53/806070553.db2.gz CXHHTVXVJZIFPV-QMMMGPOBSA-N -1 0 300.315 -0.279 20 0 DBADRM COC(=O)C12CC(C1)CN2C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000855520867 806082045 /nfs/dbraw/zinc/08/20/45/806082045.db2.gz XGNAVDJISNVENV-UHFFFAOYSA-N -1 0 317.305 -0.765 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)[N-]OCCN1CCCC1=O ZINC000856038458 806094030 /nfs/dbraw/zinc/09/40/30/806094030.db2.gz BGKAKKCBVBRFNN-SNVBAGLBSA-N -1 0 301.368 -0.422 20 0 DBADRM NC(=O)C1(C(=O)NC[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001317136195 806097562 /nfs/dbraw/zinc/09/75/62/806097562.db2.gz ZWTVSBCLTNKJKK-VIFPVBQESA-N -1 0 322.369 -0.896 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000856368798 806099166 /nfs/dbraw/zinc/09/91/66/806099166.db2.gz NTRVOKTWTVTZJC-ZKCHVHJHSA-N -1 0 305.294 -0.861 20 0 DBADRM C[C@H](NC(=O)CC(N)=O)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001317199394 806104754 /nfs/dbraw/zinc/10/47/54/806104754.db2.gz FISDVOCNHKLRMR-DTWKUNHWSA-N -1 0 310.358 -0.898 20 0 DBADRM CN1N=C(C(=O)NCC2(CC(=O)[O-])CCOCC2)CCC1=O ZINC000856984772 806105425 /nfs/dbraw/zinc/10/54/25/806105425.db2.gz XYVMMCIXXWWDJF-UHFFFAOYSA-N -1 0 311.338 -0.018 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)[N-]O[C@@H](CO)C(C)C ZINC000857286232 806115918 /nfs/dbraw/zinc/11/59/18/806115918.db2.gz VPEPMNUVTBHCAI-JTQLQIEISA-N -1 0 312.388 -0.993 20 0 DBADRM C[C@@H](CNC(=O)c1c[n-]n2c1nccc2=O)NCc1cnon1 ZINC001317272517 806120338 /nfs/dbraw/zinc/12/03/38/806120338.db2.gz YHUMXKWGZRKMKO-QMMMGPOBSA-N -1 0 317.309 -0.686 20 0 DBADRM Cc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cnc1F ZINC000857718981 806122929 /nfs/dbraw/zinc/12/29/29/806122929.db2.gz UJKAZRUKCOQNAM-UHFFFAOYSA-N -1 0 303.315 -0.275 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CCO)C2CC2)on1 ZINC000859013141 806168807 /nfs/dbraw/zinc/16/88/07/806168807.db2.gz AJTDXXNQUURYDS-QMMMGPOBSA-N -1 0 304.324 -0.100 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)on1 ZINC000859002804 806169030 /nfs/dbraw/zinc/16/90/30/806169030.db2.gz IURWMGCBEBBKBK-YFKPBYRVSA-N -1 0 318.229 -0.337 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000859775237 806204553 /nfs/dbraw/zinc/20/45/53/806204553.db2.gz NBGHQIFGJJYIRR-SSDOTTSWSA-N -1 0 324.293 -0.757 20 0 DBADRM CN(C)C(=O)COC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859922282 806210561 /nfs/dbraw/zinc/21/05/61/806210561.db2.gz XJBNAICJDYGYFR-UHFFFAOYSA-N -1 0 301.324 -0.302 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)N2CCC2)cn1 ZINC000859923051 806210981 /nfs/dbraw/zinc/21/09/81/806210981.db2.gz UIMXHVZZVRQTSO-UHFFFAOYSA-N -1 0 313.335 -0.158 20 0 DBADRM Cn1ncc(COC(=O)c2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC000859922869 806211221 /nfs/dbraw/zinc/21/12/21/806211221.db2.gz DYBHBHGXBXWRIG-UHFFFAOYSA-N -1 0 311.323 -0.061 20 0 DBADRM NC(=O)C[C@H]1CN(CC(=O)[N-]OCc2ccccc2)CCO1 ZINC000860015220 806214303 /nfs/dbraw/zinc/21/43/03/806214303.db2.gz VTAALTJBZWRPQP-ZDUSSCGKSA-N -1 0 307.350 -0.189 20 0 DBADRM NC(=O)C[C@@H]1CN(CC(=O)[N-]OCc2ccccc2)CCO1 ZINC000860015219 806214568 /nfs/dbraw/zinc/21/45/68/806214568.db2.gz VTAALTJBZWRPQP-CYBMUJFWSA-N -1 0 307.350 -0.189 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)OCC(=O)[N-]OCc2ccccc2)O1 ZINC000860410652 806229380 /nfs/dbraw/zinc/22/93/80/806229380.db2.gz ZWPFUEJMYVVYIL-NWDGAFQWSA-N -1 0 322.317 -0.190 20 0 DBADRM CCCCS(=O)(=O)[N-]C(=O)Cn1cc(C(=O)OC)cn1 ZINC000860449342 806231868 /nfs/dbraw/zinc/23/18/68/806231868.db2.gz XKEOQRRPKXDQRG-UHFFFAOYSA-N -1 0 303.340 -0.084 20 0 DBADRM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)[C@@H]1COC(=O)N1 ZINC000860511187 806234437 /nfs/dbraw/zinc/23/44/37/806234437.db2.gz UPAVYORCVAQKRI-ZETCQYMHSA-N -1 0 319.726 -0.211 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000860546631 806235004 /nfs/dbraw/zinc/23/50/04/806235004.db2.gz NEMKMLDYDJXFNS-GHMZBOCLSA-N -1 0 306.384 -0.228 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC000860546240 806235379 /nfs/dbraw/zinc/23/53/79/806235379.db2.gz ZSBYZXGQYDPVDZ-XHNCKOQMSA-N -1 0 309.340 -0.812 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cn(C3CC3)nn2)cn1 ZINC000860588792 806237646 /nfs/dbraw/zinc/23/76/46/806237646.db2.gz KZCZAQKGHLTLRC-UHFFFAOYSA-N -1 0 310.339 -0.052 20 0 DBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)C2CCCC2)C1=O ZINC000860595170 806237716 /nfs/dbraw/zinc/23/77/16/806237716.db2.gz LSUFEXNCIDQYDQ-UHFFFAOYSA-N -1 0 303.340 -0.731 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)[N-]OCC(N)=O ZINC000860580265 806238004 /nfs/dbraw/zinc/23/80/04/806238004.db2.gz XPCDKBLIJAPGPL-APPZFPTMSA-N -1 0 303.315 -0.798 20 0 DBADRM NC(=O)CO[N-]C(=O)C1(NC(=O)OCc2ccccc2)CC1 ZINC000860582153 806238339 /nfs/dbraw/zinc/23/83/39/806238339.db2.gz ZGEIKAAEQHNIQB-UHFFFAOYSA-N -1 0 307.306 -0.022 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)CCOCCOC)C1CC1 ZINC000860612654 806239065 /nfs/dbraw/zinc/23/90/65/806239065.db2.gz FSLXCSFXFDNKTI-NSHDSACASA-N -1 0 309.384 -0.090 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1)C(C)C ZINC000860642610 806240235 /nfs/dbraw/zinc/24/02/35/806240235.db2.gz MXGKPQDPDYSEMY-WDEREUQCSA-N -1 0 306.384 -0.228 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)c1 ZINC000860647760 806240357 /nfs/dbraw/zinc/24/03/57/806240357.db2.gz YIKYGVQGCFELHQ-QMMMGPOBSA-N -1 0 316.339 -0.548 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1ccnc2ccnn21 ZINC000860643243 806240361 /nfs/dbraw/zinc/24/03/61/806240361.db2.gz VDLYTSDGGSNNKC-VIFPVBQESA-N -1 0 310.335 -0.032 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1cn2c(n1)COCC2 ZINC000860642907 806240370 /nfs/dbraw/zinc/24/03/70/806240370.db2.gz PWRMOACNIGMMRQ-SECBINFHSA-N -1 0 315.351 -0.348 20 0 DBADRM C[C@]1(C(=O)[N-]S(=O)(=O)CC(N)=O)COc2ccccc2O1 ZINC000860647881 806240640 /nfs/dbraw/zinc/24/06/40/806240640.db2.gz BCOGKEUQHREWIX-GFCCVEGCSA-N -1 0 314.319 -0.852 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)NC(C)=O ZINC000860650615 806240647 /nfs/dbraw/zinc/24/06/47/806240647.db2.gz RKWJAWFLQYZOPN-PSASIEDQSA-N -1 0 322.383 -0.455 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C ZINC000860667019 806241427 /nfs/dbraw/zinc/24/14/27/806241427.db2.gz XDZGIHUPQNPSCE-GUBZILKMSA-N -1 0 322.383 -0.599 20 0 DBADRM COc1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H]1COC(=O)N1 ZINC000860655885 806241566 /nfs/dbraw/zinc/24/15/66/806241566.db2.gz BQJIIHUAMLGLDK-VIFPVBQESA-N -1 0 314.319 -0.250 20 0 DBADRM CCC1(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC000860803119 806247538 /nfs/dbraw/zinc/24/75/38/806247538.db2.gz OUGRMJVRMPMYHV-UHFFFAOYSA-N -1 0 303.340 -0.731 20 0 DBADRM C[C@@]1(OC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CNC(=O)C1 ZINC000860824061 806248572 /nfs/dbraw/zinc/24/85/72/806248572.db2.gz OHYDIBNWEKEGOJ-LBPRGKRZSA-N -1 0 313.335 -0.112 20 0 DBADRM CCO[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)C1CC1 ZINC000860864912 806249959 /nfs/dbraw/zinc/24/99/59/806249959.db2.gz JISYVNIZVUGEEX-SECBINFHSA-N -1 0 317.323 -0.607 20 0 DBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2cn(C3CC3)nn2)cn1 ZINC000860858970 806250489 /nfs/dbraw/zinc/25/04/89/806250489.db2.gz GLZXENOUUPZITI-UHFFFAOYSA-N -1 0 310.339 -0.394 20 0 DBADRM CC(=O)c1cn(CC(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)nn1 ZINC000861158950 806260029 /nfs/dbraw/zinc/26/00/29/806260029.db2.gz CGKIKDZAZQKUHT-UHFFFAOYSA-N -1 0 322.293 -0.276 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)c2cc[n+]([O-])cc2)CO1 ZINC000861139432 806257858 /nfs/dbraw/zinc/25/78/58/806257858.db2.gz IAIJIUFRZIWXFJ-SNVBAGLBSA-N -1 0 300.336 -0.053 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)CCC1 ZINC000861142202 806257871 /nfs/dbraw/zinc/25/78/71/806257871.db2.gz RKNRGPBRZTXVHZ-VIFPVBQESA-N -1 0 318.395 -0.084 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861162426 806259652 /nfs/dbraw/zinc/25/96/52/806259652.db2.gz RUWSPFDADUKPQO-MRVPVSSYSA-N -1 0 312.338 -0.049 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)[N-]OC[C@@H]1CCOC1 ZINC000861248738 806263023 /nfs/dbraw/zinc/26/30/23/806263023.db2.gz SFCBMYNHKJBONM-NXEZZACHSA-N -1 0 304.343 -0.044 20 0 DBADRM C[C@](O)(CO)CNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000861486602 806269112 /nfs/dbraw/zinc/26/91/12/806269112.db2.gz ZJNZEIQNYFAFDO-LLVKDONJSA-N -1 0 324.255 -0.069 20 0 DBADRM COC(=O)C1=CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000861724069 806284110 /nfs/dbraw/zinc/28/41/10/806284110.db2.gz NQGQXFNAAKWFEK-GDPRMGEGSA-N -1 0 324.333 -0.266 20 0 DBADRM COC(=O)C1=CC[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000861723554 806284323 /nfs/dbraw/zinc/28/43/23/806284323.db2.gz KDEQZRQDZZMMQQ-SNVBAGLBSA-N -1 0 324.333 -0.265 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C(=O)O1 ZINC000861721739 806284412 /nfs/dbraw/zinc/28/44/12/806284412.db2.gz BHVRHXJWHNQCKN-CBAPKCEASA-N -1 0 313.335 -0.113 20 0 DBADRM CCc1cc(Cl)cnc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000861833219 806298926 /nfs/dbraw/zinc/29/89/26/806298926.db2.gz RNKNDYXIXZXWAY-UHFFFAOYSA-N -1 0 300.702 -0.231 20 0 DBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1cc(OC)n[nH]1 ZINC000861863654 806300702 /nfs/dbraw/zinc/30/07/02/806300702.db2.gz VDFPCOFGIKVYCI-UHFFFAOYSA-N -1 0 300.271 -0.642 20 0 DBADRM COC(=O)NCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000861930302 806303872 /nfs/dbraw/zinc/30/38/72/806303872.db2.gz FTOLYYMUJFCBMZ-UHFFFAOYSA-N -1 0 316.339 -0.461 20 0 DBADRM O=C(CCc1nc(-c2ccncc2)no1)NCc1nnn[n-]1 ZINC001318497213 806306355 /nfs/dbraw/zinc/30/63/55/806306355.db2.gz XLVJZAQGNZORSN-UHFFFAOYSA-N -1 0 300.282 -0.106 20 0 DBADRM CC(=O)NCCCOC(=O)Cc1c(C)nc2cc[n-]n2c1=O ZINC001318495565 806307304 /nfs/dbraw/zinc/30/73/04/806307304.db2.gz UEVBCOAICLYAGQ-UHFFFAOYSA-N -1 0 306.322 -0.057 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]OCCN2CCCC2=O)O1 ZINC000862217377 806316901 /nfs/dbraw/zinc/31/69/01/806316901.db2.gz BVYLWLVQMPPSBH-ZJUUUORDSA-N -1 0 300.311 -0.623 20 0 DBADRM CCn1ncc(CNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC000862378782 806319152 /nfs/dbraw/zinc/31/91/52/806319152.db2.gz ABMPMGOVCKZEJN-UHFFFAOYSA-N -1 0 324.366 -0.006 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CSc1n[n-]c(=S)s1 ZINC000862681448 806329140 /nfs/dbraw/zinc/32/91/40/806329140.db2.gz ICKCUTMZPIXJBA-UHNVWZDZSA-N -1 0 320.421 -0.634 20 0 DBADRM O=C([N-]N1CCS(=O)(=O)CC1)C(F)(F)C1(O)CCCC1 ZINC000862732670 806332775 /nfs/dbraw/zinc/33/27/75/806332775.db2.gz FQTIYDKBTBQNCV-UHFFFAOYSA-N -1 0 312.338 -0.312 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC001318963142 806335679 /nfs/dbraw/zinc/33/56/79/806335679.db2.gz XOOJRIKZTFUBQH-UHFFFAOYSA-N -1 0 314.305 -0.026 20 0 DBADRM CCOC[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCO1 ZINC000862959155 806341272 /nfs/dbraw/zinc/34/12/72/806341272.db2.gz NRFAJIDCYRVAED-SNVBAGLBSA-N -1 0 321.337 -0.665 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000862968917 806342295 /nfs/dbraw/zinc/34/22/95/806342295.db2.gz GSMWMIIVCBKULH-QMMMGPOBSA-N -1 0 311.304 -0.110 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-])n1C ZINC000863416840 806355936 /nfs/dbraw/zinc/35/59/36/806355936.db2.gz MHDFZRAMWKLJNA-VIFPVBQESA-N -1 0 305.356 -0.115 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1CC1 ZINC000863408811 806356068 /nfs/dbraw/zinc/35/60/68/806356068.db2.gz RETTZRWDNKNDPY-MXWKQRLJSA-N -1 0 307.368 -0.349 20 0 DBADRM CC(C)OC[C@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000863416032 806356143 /nfs/dbraw/zinc/35/61/43/806356143.db2.gz BESWHTILYXEWCS-ZJUUUORDSA-N -1 0 322.383 -0.307 20 0 DBADRM CC(=O)C[C@H](NS(=O)(=O)c1cnc(Cl)n1C)C(=O)[O-] ZINC000863408057 806356252 /nfs/dbraw/zinc/35/62/52/806356252.db2.gz MLFBZQDGDUHXGS-LURJTMIESA-N -1 0 309.731 -0.216 20 0 DBADRM CNC(=O)c1cncc(C=CC(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC001319184554 806351823 /nfs/dbraw/zinc/35/18/23/806351823.db2.gz OABWRHYIEANCDW-IHWYPQMZSA-N -1 0 302.294 -0.406 20 0 DBADRM CNC(=O)c1cncc(C=CC(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC001319184555 806351900 /nfs/dbraw/zinc/35/19/00/806351900.db2.gz OABWRHYIEANCDW-NSCUHMNNSA-N -1 0 302.294 -0.406 20 0 DBADRM CC(=O)C[C@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-] ZINC000863411040 806356435 /nfs/dbraw/zinc/35/64/35/806356435.db2.gz SCZSFDOWZLBXRP-QMMMGPOBSA-N -1 0 313.291 -0.067 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)C[C@H]2CCOC2)[C@@](C)(C(=O)[O-])C1 ZINC000863412100 806356471 /nfs/dbraw/zinc/35/64/71/806356471.db2.gz HFICTRCEIIWNRD-JBLDHEPKSA-N -1 0 307.368 -0.083 20 0 DBADRM CC(=O)C[C@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000863410507 806356564 /nfs/dbraw/zinc/35/65/64/806356564.db2.gz FLUFMYQRFDKKBL-QMMMGPOBSA-N -1 0 301.324 -0.460 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1cnc(C)n1C ZINC000863411021 806356584 /nfs/dbraw/zinc/35/65/84/806356584.db2.gz RSXALKHYKSYOKL-UHFFFAOYSA-N -1 0 305.356 -0.160 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])C1CC1 ZINC000863408813 806356604 /nfs/dbraw/zinc/35/66/04/806356604.db2.gz RETTZRWDNKNDPY-VWYCJHECSA-N -1 0 307.368 -0.349 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](CCF)C2)C1 ZINC000863746290 806370739 /nfs/dbraw/zinc/37/07/39/806370739.db2.gz IWRXELRAYQUDTF-HZMBPMFUSA-N -1 0 316.329 -0.103 20 0 DBADRM C[C@@H](C(=O)NCc1nc(=O)o[n-]1)n1nnc(-c2ccccc2)n1 ZINC001319441490 806379757 /nfs/dbraw/zinc/37/97/57/806379757.db2.gz APVAPUPYKRHUBZ-QMMMGPOBSA-N -1 0 315.293 -0.106 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)c2cc(C(=O)[O-])nn2C)C1 ZINC000864058253 806386197 /nfs/dbraw/zinc/38/61/97/806386197.db2.gz RPCNHKWIUKWEKF-VIFPVBQESA-N -1 0 323.353 -0.054 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)c2cc(C(=O)[O-])nn2C)CS1(=O)=O ZINC000864057815 806386373 /nfs/dbraw/zinc/38/63/73/806386373.db2.gz NJIUEAGKUFFAGN-YUMQZZPRSA-N -1 0 315.351 -0.186 20 0 DBADRM CS(=O)(=O)NCCNC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864109248 806390735 /nfs/dbraw/zinc/39/07/35/806390735.db2.gz OZMQMKDAVGGFQD-IHWYPQMZSA-N -1 0 302.308 -0.344 20 0 DBADRM CN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC000864502141 806395749 /nfs/dbraw/zinc/39/57/49/806395749.db2.gz RJTZOZVKZKTISS-VHSXEESVSA-N -1 0 316.383 -0.283 20 0 DBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1ccc(F)nc1F ZINC000864496162 806395759 /nfs/dbraw/zinc/39/57/59/806395759.db2.gz QGFOOTBFVVVBQZ-ZCFIWIBFSA-N -1 0 308.262 -0.166 20 0 DBADRM CN1N=C(C(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])CCC1=O ZINC000864173721 806391325 /nfs/dbraw/zinc/39/13/25/806391325.db2.gz DAPCHODRMLYKNL-ONGXEEELSA-N -1 0 311.338 -0.019 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000864172180 806391393 /nfs/dbraw/zinc/39/13/93/806391393.db2.gz HQWBFJKMTDUUOC-JEZHCXPESA-N -1 0 302.352 -0.392 20 0 DBADRM C[C@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)c1ccnn1C ZINC000864133298 806391511 /nfs/dbraw/zinc/39/15/11/806391511.db2.gz MLCKWSZAJFYMOF-QMMMGPOBSA-N -1 0 304.310 -0.103 20 0 DBADRM C[C@H](NC(=O)Cn1cc(C(=O)[O-])cn1)c1nnnn1C1CC1 ZINC000864203358 806391947 /nfs/dbraw/zinc/39/19/47/806391947.db2.gz UEAOYYULWQODPY-ZETCQYMHSA-N -1 0 305.298 -0.220 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000864193959 806392041 /nfs/dbraw/zinc/39/20/41/806392041.db2.gz RKKBJDHPZHMUNV-ZWNOBZJWSA-N -1 0 316.379 -0.095 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC1CC(C(=O)[O-])C1 ZINC000864205121 806392054 /nfs/dbraw/zinc/39/20/54/806392054.db2.gz FFPNYPXIOKBVKJ-UHFFFAOYSA-N -1 0 304.306 -0.147 20 0 DBADRM COCCN(C(=O)Cn1cc(C(=O)[O-])nn1)C1CCOCC1 ZINC000864226187 806392236 /nfs/dbraw/zinc/39/22/36/806392236.db2.gz YRTUJPWGFAHOQL-UHFFFAOYSA-N -1 0 312.326 -0.370 20 0 DBADRM Cc1cc(C)n2nc(C(=O)NC[C@@H]3CCO[C@@H]3C(=O)[O-])nc2n1 ZINC000864212525 806392274 /nfs/dbraw/zinc/39/22/74/806392274.db2.gz PQENXPAGIKEDKV-UWVGGRQHSA-N -1 0 319.321 -0.039 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC1CC(C(=O)[O-])C1 ZINC000864207077 806392445 /nfs/dbraw/zinc/39/24/45/806392445.db2.gz GACXSAGPZSVXEY-HACHORDNSA-N -1 0 306.384 -0.070 20 0 DBADRM CO[C@@H]1CN(C(=O)NC[C@H]2COCCO2)[C@@](C)(C(=O)[O-])C1 ZINC000864527128 806396135 /nfs/dbraw/zinc/39/61/35/806396135.db2.gz WTQXXYMWKQWKTN-OUJBWJOFSA-N -1 0 302.327 -0.325 20 0 DBADRM COCCOc1ncccc1C(=O)[N-]S(=O)(=O)N(C)C ZINC001319729763 806405277 /nfs/dbraw/zinc/40/52/77/806405277.db2.gz FWYSZTPUOLMWGI-UHFFFAOYSA-N -1 0 303.340 -0.357 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)Cc1cnn(C)c1 ZINC001319800665 806410131 /nfs/dbraw/zinc/41/01/31/806410131.db2.gz JBZJREKCAMKYAO-UHFFFAOYSA-N -1 0 305.356 -0.928 20 0 DBADRM O=C(CCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)NC1CC1 ZINC001320028127 806431276 /nfs/dbraw/zinc/43/12/76/806431276.db2.gz QQAIONHNVYRGGG-UHFFFAOYSA-N -1 0 318.337 -0.754 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CCN1CCOCC1 ZINC000866382586 806440074 /nfs/dbraw/zinc/44/00/74/806440074.db2.gz ZPCOUMUCYZXBNW-UHFFFAOYSA-N -1 0 318.351 -0.323 20 0 DBADRM Cc1nc2cc[n-]n2c(=O)c1CC(=O)NCCCOCCO ZINC001320210425 806452435 /nfs/dbraw/zinc/45/24/35/806452435.db2.gz OHEWRTLQWRHWOJ-UHFFFAOYSA-N -1 0 308.338 -0.611 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H](COC)OC ZINC000867077518 806470796 /nfs/dbraw/zinc/47/07/96/806470796.db2.gz TYBRNYVTCCHZFE-VIFPVBQESA-N -1 0 302.418 -0.010 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@@H]1CN(c2ccccc2)C1=O ZINC000867082060 806471006 /nfs/dbraw/zinc/47/10/06/806471006.db2.gz GYNSRJSOBRRBMF-SNVBAGLBSA-N -1 0 317.392 -0.036 20 0 DBADRM CO[C@]1(C[N-]S(=O)(=O)N=S2(=O)CCCC2)CCOC1 ZINC000867109487 806473552 /nfs/dbraw/zinc/47/35/52/806473552.db2.gz MRBNIXODLHWSRJ-JTQLQIEISA-N -1 0 312.413 -0.112 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1COC[C@H]1OC ZINC000867449530 806500546 /nfs/dbraw/zinc/50/05/46/806500546.db2.gz XTKGSLZWRVFVSL-RKDXNWHRSA-N -1 0 300.402 -0.258 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H](OC)[C@H]1CCOC1 ZINC000867498028 806502836 /nfs/dbraw/zinc/50/28/36/806502836.db2.gz UTRLNVUNCMEKDI-RAALSFIWSA-N -1 0 314.429 -0.010 20 0 DBADRM CO[C@H](C[N-]S(=O)(=O)N=S(C)(C)=O)[C@H]1CCOC1 ZINC000867496671 806503293 /nfs/dbraw/zinc/50/32/93/806503293.db2.gz GVIUUAQVCLLHBT-DTWKUNHWSA-N -1 0 300.402 -0.400 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@H]1CCN(C2CCC2)C1=O ZINC000867569879 806509008 /nfs/dbraw/zinc/50/90/08/806509008.db2.gz ZAKHFSXWMIXJRD-VIFPVBQESA-N -1 0 309.413 -0.298 20 0 DBADRM O=C(CN1C(=O)CNC1=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001320618771 806510134 /nfs/dbraw/zinc/51/01/34/806510134.db2.gz LWZIASZHZQOTSD-UHFFFAOYSA-N -1 0 317.261 -0.480 20 0 DBADRM COc1ccc(NC(=O)C(=O)[N-]OCC(N)=O)c(Cl)n1 ZINC001320740294 806523797 /nfs/dbraw/zinc/52/37/97/806523797.db2.gz ULGOGZHNPRHTKC-UHFFFAOYSA-N -1 0 302.674 -0.785 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CCCN(CC(F)F)C1 ZINC000867900480 806531068 /nfs/dbraw/zinc/53/10/68/806531068.db2.gz RKFGUBFHYJXNOU-QMMMGPOBSA-N -1 0 304.297 -0.001 20 0 DBADRM NC(=O)NCCCCC(=O)[N-]S(=O)(=O)c1ncccc1F ZINC001320844233 806534629 /nfs/dbraw/zinc/53/46/29/806534629.db2.gz IZBXUAFYXAIJNL-UHFFFAOYSA-N -1 0 318.330 -0.136 20 0 DBADRM CCNC(=O)CNC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000867978927 806533035 /nfs/dbraw/zinc/53/30/35/806533035.db2.gz ZBQPINIPUFDCJV-NSHDSACASA-N -1 0 324.303 -0.025 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCC(CCO)CC2)C1 ZINC000868347236 806544426 /nfs/dbraw/zinc/54/44/26/806544426.db2.gz DIKJATJRBWBHAC-GFCCVEGCSA-N -1 0 312.366 -0.069 20 0 DBADRM CN(CC(=O)[N-]OC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC001320908446 806541001 /nfs/dbraw/zinc/54/10/01/806541001.db2.gz SFRDXXLEMAXQMW-GHMZBOCLSA-N -1 0 306.384 -0.810 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(C(F)F)C2)C1 ZINC000868347607 806544536 /nfs/dbraw/zinc/54/45/36/806544536.db2.gz GUSUJXIOQIESLR-OQPBUACISA-N -1 0 320.292 -0.462 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC001320923018 806543022 /nfs/dbraw/zinc/54/30/22/806543022.db2.gz KFSRGMGQEFWWBY-UHFFFAOYSA-N -1 0 306.278 -0.957 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000868332507 806543309 /nfs/dbraw/zinc/54/33/09/806543309.db2.gz FZQJGXMKZWHMJL-QJPTWQEYSA-N -1 0 312.366 -0.071 20 0 DBADRM CC1(CO)CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000868336758 806544106 /nfs/dbraw/zinc/54/41/06/806544106.db2.gz GGNIWSWYZRTMCC-LLVKDONJSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(C(F)F)C2)C1 ZINC000868348436 806544306 /nfs/dbraw/zinc/54/43/06/806544306.db2.gz GUSUJXIOQIESLR-SDBXPKJASA-N -1 0 320.292 -0.462 20 0 DBADRM Cn1cc(-n2cc(C(=O)NCc3nc(=O)o[n-]3)ccc2=O)cn1 ZINC001321073821 806567488 /nfs/dbraw/zinc/56/74/88/806567488.db2.gz LVOKUWKEJITUDT-UHFFFAOYSA-N -1 0 316.277 -0.823 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1c(C)nn(CCOC)c1C ZINC001321131601 806577029 /nfs/dbraw/zinc/57/70/29/806577029.db2.gz SKXQBCQDPRFKRO-UHFFFAOYSA-N -1 0 314.342 -0.221 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)no1 ZINC001321135353 806578393 /nfs/dbraw/zinc/57/83/93/806578393.db2.gz OXUIJACOLNMQMX-WCBMZHEXSA-N -1 0 311.294 -0.082 20 0 DBADRM CC[C@@]1(C(=O)[N-]S(=O)(=O)N2CCCCC2)CCNC1=O ZINC000870168595 806596614 /nfs/dbraw/zinc/59/66/14/806596614.db2.gz GGKNUJYTHDDLOO-GFCCVEGCSA-N -1 0 303.384 -0.250 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cnn(CCOC)c1 ZINC000870198362 806595847 /nfs/dbraw/zinc/59/58/47/806595847.db2.gz AFQIZCTYHDDBDP-UHFFFAOYSA-N -1 0 305.356 -0.374 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)N2CCCCC2)cn1 ZINC000870169648 806595944 /nfs/dbraw/zinc/59/59/44/806595944.db2.gz PZUUWWVDPYDCJD-UHFFFAOYSA-N -1 0 316.383 -0.010 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)N(C)C(C)C)cn1 ZINC000870195356 806596231 /nfs/dbraw/zinc/59/62/31/806596231.db2.gz ZOLYPEIFAVEBDW-UHFFFAOYSA-N -1 0 304.372 -0.156 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)COC)[C@H]1CCOC1 ZINC000870205633 806597198 /nfs/dbraw/zinc/59/71/98/806597198.db2.gz SQAFFVCPGFTYEB-VWYCJHECSA-N -1 0 309.384 -0.091 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000870203562 806597331 /nfs/dbraw/zinc/59/73/31/806597331.db2.gz JMAVDDWIENVCQG-VWYCJHECSA-N -1 0 307.368 -0.337 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C[C@H]1Cc2ccccc2O1 ZINC000870200397 806597406 /nfs/dbraw/zinc/59/74/06/806597406.db2.gz YDGMMQFSFDDOOK-SNVBAGLBSA-N -1 0 313.331 -0.001 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@]1(CC(C)C)CCNC1=O ZINC000870214321 806597480 /nfs/dbraw/zinc/59/74/80/806597480.db2.gz LIPACXQZAYHCSD-GFCCVEGCSA-N -1 0 305.400 -0.149 20 0 DBADRM CCOC1CC2(C[C@@H]2C(=O)[N-]S(=O)(=O)CC(=O)OC)C1 ZINC000870199049 806597659 /nfs/dbraw/zinc/59/76/59/806597659.db2.gz HRZOIARALAGUGP-NBBOBHDQSA-N -1 0 305.352 -0.189 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ncccc1OC ZINC000870236903 806598369 /nfs/dbraw/zinc/59/83/69/806598369.db2.gz XONHRTICTIZGFC-UHFFFAOYSA-N -1 0 303.340 -0.357 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnn(C(F)F)c1 ZINC000870236584 806598379 /nfs/dbraw/zinc/59/83/79/806598379.db2.gz MOWVGZNTBFQNFH-UHFFFAOYSA-N -1 0 312.298 -0.169 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnn(CC2CC2)c1 ZINC000870236209 806598760 /nfs/dbraw/zinc/59/87/60/806598760.db2.gz ABFVJEQVETVSPR-UHFFFAOYSA-N -1 0 316.383 -0.154 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)[C@@H]1CCOC1 ZINC000870320679 806599399 /nfs/dbraw/zinc/59/93/99/806599399.db2.gz RQCFAIXPXLJKNW-MXWKQRLJSA-N -1 0 309.384 -0.091 20 0 DBADRM COCCn1ncc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)c1C ZINC000870321212 806599557 /nfs/dbraw/zinc/59/95/57/806599557.db2.gz VUGCQBONOYUPBW-SECBINFHSA-N -1 0 319.383 -0.068 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)C[C@H](C)OC)[C@H]1CCOC1 ZINC000870320678 806599947 /nfs/dbraw/zinc/59/99/47/806599947.db2.gz RQCFAIXPXLJKNW-DCAQKATOSA-N -1 0 309.384 -0.091 20 0 DBADRM Cc1nn(C)c(F)c1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001321362726 806613724 /nfs/dbraw/zinc/61/37/24/806613724.db2.gz FDBVJRGOUVEUKW-ONEGZZNKSA-N -1 0 323.332 -0.233 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@H](O)[C@@H](C)O ZINC000871135293 806620793 /nfs/dbraw/zinc/62/07/93/806620793.db2.gz NYRKDERQKDUFGJ-CSMHCCOUSA-N -1 0 300.277 -0.453 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H](O)[C@@H](C)O ZINC000871135295 806620392 /nfs/dbraw/zinc/62/03/92/806620392.db2.gz NYRKDERQKDUFGJ-PRJMDXOYSA-N -1 0 300.277 -0.453 20 0 DBADRM CN(C)c1ccc(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)cn1 ZINC001321502730 806632170 /nfs/dbraw/zinc/63/21/70/806632170.db2.gz LWNJLFSGXAWULC-LBPRGKRZSA-N -1 0 322.365 -0.152 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(c2cc(C(=O)[O-])ncn2)C1 ZINC000871593858 806640008 /nfs/dbraw/zinc/64/00/08/806640008.db2.gz ANDBHNZOSCMUQM-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(c2cc(C(=O)[O-])ncn2)C1 ZINC000871593857 806640601 /nfs/dbraw/zinc/64/06/01/806640601.db2.gz ANDBHNZOSCMUQM-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM O=C([O-])[C@@H]1[C@H]([C@H]2CCCO2)CCN1S(=O)(=O)NC1CC1 ZINC000871740517 806641724 /nfs/dbraw/zinc/64/17/24/806641724.db2.gz QGZZTALEXMSXSM-AXFHLTTASA-N -1 0 304.368 -0.063 20 0 DBADRM CN(C(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000871775403 806642278 /nfs/dbraw/zinc/64/22/78/806642278.db2.gz HNZFDDVCKRCIBN-ZNSHCXBVSA-N -1 0 316.379 -0.122 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000871995558 806645874 /nfs/dbraw/zinc/64/58/74/806645874.db2.gz BJAVQGHJRYGPKL-ORZSEXNPSA-N -1 0 304.368 -0.349 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)C(C)(C)SCC(=O)[O-])C1 ZINC000872942258 806679114 /nfs/dbraw/zinc/67/91/14/806679114.db2.gz ZTGPZGAYPOKKLM-UHFFFAOYSA-N -1 0 318.395 -0.102 20 0 DBADRM NC(=O)[C@@]1(O)CCN(C(=O)CSc2n[n-]c(=S)s2)C1 ZINC001321887429 806684313 /nfs/dbraw/zinc/68/43/13/806684313.db2.gz FJKCROMHDLXLRJ-SECBINFHSA-N -1 0 320.421 -0.632 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC000873503898 806686650 /nfs/dbraw/zinc/68/66/50/806686650.db2.gz OCXJDOQHXKHLJB-PHDIDXHHSA-N -1 0 302.274 -0.233 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000873517160 806687483 /nfs/dbraw/zinc/68/74/83/806687483.db2.gz XBZRKYVABCMLQN-KXUCPTDWSA-N -1 0 305.352 -0.189 20 0 DBADRM CN(C)C(=O)CCCNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001322086619 806708866 /nfs/dbraw/zinc/70/88/66/806708866.db2.gz ZRKJDSYJHBANHK-UHFFFAOYSA-N -1 0 313.276 -0.029 20 0 DBADRM O=C(CCCNC(=O)C1CC1)[N-]S(=O)(=O)C1CCOCC1 ZINC001322127776 806713187 /nfs/dbraw/zinc/71/31/87/806713187.db2.gz VFILWPPEXRSISR-UHFFFAOYSA-N -1 0 318.395 -0.082 20 0 DBADRM CC[C@H]1COCCN1CCNC(=O)c1cnc([O-])n(C)c1=O ZINC000874705770 806714244 /nfs/dbraw/zinc/71/42/44/806714244.db2.gz ZIWMWKPWYKSJSJ-JTQLQIEISA-N -1 0 310.354 -0.674 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC001322244250 806725087 /nfs/dbraw/zinc/72/50/87/806725087.db2.gz AZKOMNVDSFYNGG-SNVBAGLBSA-N -1 0 301.343 -0.804 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC001322298203 806731300 /nfs/dbraw/zinc/73/13/00/806731300.db2.gz DHENCDFZTFFTTI-UHFFFAOYSA-N -1 0 309.278 -0.350 20 0 DBADRM CO[C@H]1CCN(C(=O)NCCCS(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC001322514433 806748436 /nfs/dbraw/zinc/74/84/36/806748436.db2.gz POXAZMWNBAHLMZ-UWVGGRQHSA-N -1 0 322.383 -0.305 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC([C@H](C)C(=O)OCC)C1 ZINC000875697315 806763439 /nfs/dbraw/zinc/76/34/39/806763439.db2.gz BGYBBJCMXZEQBA-VIFPVBQESA-N -1 0 301.343 -0.105 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)o1 ZINC001322826175 806787034 /nfs/dbraw/zinc/78/70/34/806787034.db2.gz MVVCEWQQYFWSGN-UHFFFAOYSA-N -1 0 320.323 -0.899 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)O1 ZINC001323236220 806840822 /nfs/dbraw/zinc/84/08/22/806840822.db2.gz CBXPMYZAJNTCDQ-VHSXEESVSA-N -1 0 302.327 -0.662 20 0 DBADRM Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001323267143 806847360 /nfs/dbraw/zinc/84/73/60/806847360.db2.gz REOCYMDBJBEKKD-ZYHUDNBSSA-N -1 0 322.365 -0.002 20 0 DBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)[N-]OCC(C)C ZINC001323271355 806847751 /nfs/dbraw/zinc/84/77/51/806847751.db2.gz WDXLJZZZRMJNHL-VXGBXAGGSA-N -1 0 318.370 -0.373 20 0 DBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)[N-]OCC(C)C ZINC001323271354 806847965 /nfs/dbraw/zinc/84/79/65/806847965.db2.gz WDXLJZZZRMJNHL-RYUDHWBXSA-N -1 0 318.370 -0.373 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC001323297178 806852418 /nfs/dbraw/zinc/85/24/18/806852418.db2.gz AZKQBIGJJGCYIH-UHFFFAOYSA-N -1 0 323.415 -0.476 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H]2CCC(=O)N2)ccc1[O-] ZINC001323320878 806856695 /nfs/dbraw/zinc/85/66/95/806856695.db2.gz IORDMTKHAUMGCG-MRVPVSSYSA-N -1 0 313.335 -0.483 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC001323404325 806868348 /nfs/dbraw/zinc/86/83/48/806868348.db2.gz QHRRUARJCXJTRS-GWCFXTLKSA-N -1 0 318.395 -0.149 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)C(=O)[N-]OC2CCOCC2)C1=O ZINC001323454224 806876434 /nfs/dbraw/zinc/87/64/34/806876434.db2.gz XXRPFSDCVCWZNH-NSHDSACASA-N -1 0 313.354 -0.661 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001323457655 806876460 /nfs/dbraw/zinc/87/64/60/806876460.db2.gz YNIDVMGXOHUCFF-JTQLQIEISA-N -1 0 315.370 -0.366 20 0 DBADRM CC[C@H](C)n1nc(NC(=O)C(=O)NCc2nnn[n-]2)cc1C ZINC001323472199 806878116 /nfs/dbraw/zinc/87/81/16/806878116.db2.gz ODZOJZFGXZSJHB-ZETCQYMHSA-N -1 0 306.330 -0.069 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC001323510659 806881734 /nfs/dbraw/zinc/88/17/34/806881734.db2.gz FXVVZOCBNSTJFA-UHFFFAOYSA-N -1 0 322.383 -0.988 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(CCS(N)(=O)=O)C1 ZINC000879766239 806901036 /nfs/dbraw/zinc/90/10/36/806901036.db2.gz VYQBFBISQLIXSF-QMMMGPOBSA-N -1 0 303.306 -0.582 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC ZINC001323761638 806912191 /nfs/dbraw/zinc/91/21/91/806912191.db2.gz QWUUPLWSBQYWNX-OUAUKWLOSA-N -1 0 304.343 -0.621 20 0 DBADRM Cn1nnc2cc(C(=O)N3CCC[C@@H](c4nnn[n-]4)C3)cnc21 ZINC001323811234 806917928 /nfs/dbraw/zinc/91/79/28/806917928.db2.gz IQCLJMLLYITNKL-MRVPVSSYSA-N -1 0 313.325 -0.104 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001323984386 806934398 /nfs/dbraw/zinc/93/43/98/806934398.db2.gz FBPJRSHTBAHXPE-JTQLQIEISA-N -1 0 306.384 -0.273 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001323998720 806936043 /nfs/dbraw/zinc/93/60/43/806936043.db2.gz CDUIXNCZPOJZJC-MNOVXSKESA-N -1 0 316.354 -0.225 20 0 DBADRM C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001324071394 806942354 /nfs/dbraw/zinc/94/23/54/806942354.db2.gz PJJFUAUYVLHVHI-JQWIXIFHSA-N -1 0 316.354 -0.477 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccoc2CC(N)=O)C1=O ZINC001324099443 806943786 /nfs/dbraw/zinc/94/37/86/806943786.db2.gz HMPLRTFGBROFNY-ZDUSSCGKSA-N -1 0 308.294 -0.327 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C1COC(C)(C)OC1 ZINC000882064561 806964765 /nfs/dbraw/zinc/96/47/65/806964765.db2.gz CXNLWKSHDSCNRM-GOSISDBHSA-N -1 0 315.417 -0.453 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC1OCCCO1 ZINC000882111835 806967214 /nfs/dbraw/zinc/96/72/14/806967214.db2.gz HWDNDOFLEKVBLB-QGZVFWFLSA-N -1 0 301.390 -0.842 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc(C(=O)NC)n2)C1=O ZINC001324696080 807001522 /nfs/dbraw/zinc/00/15/22/807001522.db2.gz LXFWJYAURFUNRA-AWEZNQCLSA-N -1 0 319.321 -0.194 20 0 DBADRM CC(C)(C)OC(=O)CCNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001324733061 807002748 /nfs/dbraw/zinc/00/27/48/807002748.db2.gz HRWPFDYXHYPWFG-JTQLQIEISA-N -1 0 316.354 -0.081 20 0 DBADRM Cc1n[nH]cc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035468189 814948112 /nfs/dbraw/zinc/94/81/12/814948112.db2.gz DQNTUNCDFVYVKJ-SECBINFHSA-N -1 0 321.341 -0.827 20 0 DBADRM O=C(C=Cc1ccco1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001278042188 803746415 /nfs/dbraw/zinc/74/64/15/803746415.db2.gz YTONOQKALJFQJU-TYRPZCRBSA-N -1 0 307.310 -0.617 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(C(=O)CCCC(=O)[O-])CC1 ZINC000020183691 803751549 /nfs/dbraw/zinc/75/15/49/803751549.db2.gz RAMKCZFOUZADOQ-UHFFFAOYSA-N -1 0 307.372 -0.808 20 0 DBADRM O=C([O-])CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000035680432 803759730 /nfs/dbraw/zinc/75/97/30/803759730.db2.gz NALBBDXFYNGXQD-UHFFFAOYSA-N -1 0 309.347 -0.162 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000036968889 803760398 /nfs/dbraw/zinc/76/03/98/803760398.db2.gz HGKGMNFYAUQCFZ-VIFPVBQESA-N -1 0 313.287 -0.483 20 0 DBADRM Cn1cc(S(=O)(=O)N(CCC(=O)[O-])C2CC2)cc1C(N)=O ZINC000037396513 803760688 /nfs/dbraw/zinc/76/06/88/803760688.db2.gz AXXQLGMNMCGSFA-UHFFFAOYSA-N -1 0 315.351 -0.248 20 0 DBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)COCC(=O)[O-])c1C ZINC000041064255 803762495 /nfs/dbraw/zinc/76/24/95/803762495.db2.gz YBEIBCLCFCASGE-UHFFFAOYSA-N -1 0 316.335 -0.009 20 0 DBADRM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)COCC(=O)[O-] ZINC000041073553 803763818 /nfs/dbraw/zinc/76/38/18/803763818.db2.gz KDLNUSBFOFBQOH-JTQLQIEISA-N -1 0 322.383 -0.592 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]NC(=O)C(=O)NC(C)C)s1 ZINC000041971030 803763940 /nfs/dbraw/zinc/76/39/40/803763940.db2.gz RQYZOBUAJJWWTE-UHFFFAOYSA-N -1 0 313.335 -0.180 20 0 DBADRM C[C@@H](NC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000042477682 803765315 /nfs/dbraw/zinc/76/53/15/803765315.db2.gz KDSQNFMZAAHWDG-MRVPVSSYSA-N -1 0 315.351 -0.351 20 0 DBADRM CCCCC[N@H+]1C[C@@H]2C(C(=O)N=c3nn[n-]n3C)=NO[C@@H]2C1 ZINC001278228435 803768415 /nfs/dbraw/zinc/76/84/15/803768415.db2.gz WDALOBXROWUHQW-VHSXEESVSA-N -1 0 307.358 -0.553 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)c1cccnc1)S(C)(=O)=O ZINC000048532644 803773932 /nfs/dbraw/zinc/77/39/32/803773932.db2.gz FSSGKDYSCJAIMN-UHFFFAOYSA-N -1 0 307.353 -0.382 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc[n+]([O-])cc2)s1 ZINC000048704305 803774904 /nfs/dbraw/zinc/77/49/04/803774904.db2.gz BOOMFABFXQYKRS-UHFFFAOYSA-N -1 0 315.336 -0.205 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@H](CC)C(=O)[O-] ZINC000087498388 803799703 /nfs/dbraw/zinc/79/97/03/803799703.db2.gz SHUPNPGMKQFDQK-VHSXEESVSA-N -1 0 322.383 -0.041 20 0 DBADRM CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c(F)c1 ZINC000090262926 803800227 /nfs/dbraw/zinc/80/02/27/803800227.db2.gz DNXFYYQGEHZOSR-VIFPVBQESA-N -1 0 320.298 -0.492 20 0 DBADRM C[C@H](NC(=O)c1cccs1)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000090275513 803800683 /nfs/dbraw/zinc/80/06/83/803800683.db2.gz DATRXOSBTYRWJL-JVXZTZIISA-N -1 0 300.336 -0.182 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCC(OCC(=O)[O-])CC1 ZINC000111800769 803807440 /nfs/dbraw/zinc/80/74/40/803807440.db2.gz IXFBMEGKAVAOOX-UHFFFAOYSA-N -1 0 323.367 -0.165 20 0 DBADRM Cn1c2ccc(C(=O)[N-]S(=O)(=O)N3CCCC3)cc2[nH]c1=O ZINC000113655727 803808449 /nfs/dbraw/zinc/80/84/49/803808449.db2.gz UKCVEXLWMZBOPR-UHFFFAOYSA-N -1 0 324.362 -0.063 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000120101640 803808994 /nfs/dbraw/zinc/80/89/94/803808994.db2.gz MLIWRWAPFKHNJR-DTORHVGOSA-N -1 0 302.352 -0.373 20 0 DBADRM C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000136092059 803817472 /nfs/dbraw/zinc/81/74/72/803817472.db2.gz YVCDXOCNADYFID-QMMMGPOBSA-N -1 0 316.335 -0.308 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)C(N)=O ZINC000137248141 803818366 /nfs/dbraw/zinc/81/83/66/803818366.db2.gz HSNAVXBZZJZAFK-BYPYZUCNSA-N -1 0 308.262 -0.185 20 0 DBADRM CNC(=O)COc1ccc(C(=O)[N-]S(C)(=O)=O)cc1OC ZINC000147271269 803819805 /nfs/dbraw/zinc/81/98/05/803819805.db2.gz ZPQLAQLEJNEZKW-UHFFFAOYSA-N -1 0 316.335 -0.491 20 0 DBADRM CC/C(C)=C\C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001278776914 803821835 /nfs/dbraw/zinc/82/18/35/803821835.db2.gz QAAORRHRZMUSRD-LBIZBFCRSA-N -1 0 309.370 -0.080 20 0 DBADRM CS(=O)(=O)CCCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000166145904 803822788 /nfs/dbraw/zinc/82/27/88/803822788.db2.gz GPIVTTOPYQNNKV-UHFFFAOYSA-N -1 0 322.383 -0.398 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCO[C@H](CO)C2)ccc1F ZINC000167086815 803822976 /nfs/dbraw/zinc/82/29/76/803822976.db2.gz XUUPZGDRAOQGRA-QMMMGPOBSA-N -1 0 319.310 -0.094 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H](C)N(C)CC(F)(F)F ZINC000194933931 803828552 /nfs/dbraw/zinc/82/85/52/803828552.db2.gz HODKKYZSWIUQFK-ZETCQYMHSA-N -1 0 306.306 -0.039 20 0 DBADRM CCCN1CCO[C@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001035534895 814969055 /nfs/dbraw/zinc/96/90/55/814969055.db2.gz DOKNFFYYJLPVCH-LLVKDONJSA-N -1 0 319.365 -0.137 20 0 DBADRM COC(=O)Cc1ccc(S(=O)(=O)NCC(=O)[O-])cc1F ZINC000263188272 803832626 /nfs/dbraw/zinc/83/26/26/803832626.db2.gz VFZFSYCGBPIQAX-UHFFFAOYSA-N -1 0 305.283 -0.096 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2ccc(-c3nn[nH]n3)cc2)CCOC1 ZINC000315879946 803838442 /nfs/dbraw/zinc/83/84/42/803838442.db2.gz BQAUSNKOCVQQQZ-ZDUSSCGKSA-N -1 0 303.278 -0.160 20 0 DBADRM COc1ccc(S(=O)(=O)NC2CN(C)C2)cc1C(=O)[O-] ZINC000379229189 803851989 /nfs/dbraw/zinc/85/19/89/803851989.db2.gz YMDJLGBCKUOEJA-UHFFFAOYSA-N -1 0 300.336 -0.014 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC/C=C\C(=O)[O-] ZINC000380180246 803852251 /nfs/dbraw/zinc/85/22/51/803852251.db2.gz DYARZINVGVITDG-RWIWAZIYSA-N -1 0 306.340 -0.511 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000381862873 803853526 /nfs/dbraw/zinc/85/35/26/803853526.db2.gz RLSSPCUJXRTGAM-NSHDSACASA-N -1 0 300.384 -0.105 20 0 DBADRM COc1ccc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1 ZINC000386464552 803855645 /nfs/dbraw/zinc/85/56/45/803855645.db2.gz NWEVCTLGWGHPNG-LBPRGKRZSA-N -1 0 301.320 -0.095 20 0 DBADRM CC(C)(CCNS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000385373016 803855968 /nfs/dbraw/zinc/85/59/68/803855968.db2.gz OUAFBGHCORWCQF-UHFFFAOYSA-N -1 0 301.386 -0.549 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC(=O)N1 ZINC000386967602 803856343 /nfs/dbraw/zinc/85/63/43/803856343.db2.gz AUCQPJDQMJRTHV-ZETCQYMHSA-N -1 0 314.319 -0.401 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CO)[C@@H](C)O ZINC000387405796 803856372 /nfs/dbraw/zinc/85/63/72/803856372.db2.gz BOSXDZMQOJEQOU-PSASIEDQSA-N -1 0 303.336 -0.287 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC(=O)N1 ZINC000386967599 803856513 /nfs/dbraw/zinc/85/65/13/803856513.db2.gz AUCQPJDQMJRTHV-SSDOTTSWSA-N -1 0 314.319 -0.401 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@H]2COCCO2)C1 ZINC000387370606 803856821 /nfs/dbraw/zinc/85/68/21/803856821.db2.gz YXOOJBHTNZLLHI-GXFFZTMASA-N -1 0 302.327 -0.466 20 0 DBADRM CS(=O)(=O)N1CCC(NS(=O)(=O)c2ncc[n-]2)CC1 ZINC000388838161 803858343 /nfs/dbraw/zinc/85/83/43/803858343.db2.gz XTVXTKFWSAKRSG-UHFFFAOYSA-N -1 0 308.385 -0.888 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@]2(CO)CCOC2)ccc1F ZINC000393881579 803860035 /nfs/dbraw/zinc/86/00/35/803860035.db2.gz FKFQHFCQERFQRZ-GFCCVEGCSA-N -1 0 319.310 -0.046 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@]2(CO)CCOC2)ccc1O ZINC000393882938 803860218 /nfs/dbraw/zinc/86/02/18/803860218.db2.gz MRZILTYHQSIZSK-GFCCVEGCSA-N -1 0 317.319 -0.480 20 0 DBADRM O=C1C[C@H](CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CN1 ZINC000398451252 803864190 /nfs/dbraw/zinc/86/41/90/803864190.db2.gz NZPSOMVOHCVTGU-ZETCQYMHSA-N -1 0 315.307 -0.285 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000398668346 803864583 /nfs/dbraw/zinc/86/45/83/803864583.db2.gz CZGODRFAXIKHCJ-VHSXEESVSA-N -1 0 321.399 -0.322 20 0 DBADRM O=S1(=O)CCCN1CCN=c1ccc(OC(F)F)n[n-]1 ZINC000405348540 803865900 /nfs/dbraw/zinc/86/59/00/803865900.db2.gz XJXVZUVKCQJIQN-UHFFFAOYSA-N -1 0 308.310 -0.053 20 0 DBADRM O=C(CNC(=O)c1n[nH]c(=O)[n-]1)N[C@@H]1CCOc2ccccc21 ZINC000558651735 803874669 /nfs/dbraw/zinc/87/46/69/803874669.db2.gz AGOSBAKTNNGLPW-SECBINFHSA-N -1 0 317.305 -0.120 20 0 DBADRM Cc1cc(C)n2[n-]c(=NC(=O)NCC[C@]3(O)CCOC3)nc2n1 ZINC000650367063 803898113 /nfs/dbraw/zinc/89/81/13/803898113.db2.gz YFAMCEMEQLHOQN-AWEZNQCLSA-N -1 0 320.353 -0.174 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)[C@@H]1C(=O)[O-] ZINC000650424154 803898386 /nfs/dbraw/zinc/89/83/86/803898386.db2.gz RDHPBINOYRHSCS-ZYUZMQFOSA-N -1 0 322.383 -0.645 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650428815 803898413 /nfs/dbraw/zinc/89/84/13/803898413.db2.gz UKVICMVLNZASDD-BDAKNGLRSA-N -1 0 303.340 -0.573 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650428975 803898616 /nfs/dbraw/zinc/89/86/16/803898616.db2.gz YINFCKBIFZOKMR-GUBZILKMSA-N -1 0 315.351 -0.431 20 0 DBADRM C[C@H]1OCC[C@@H]1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000650418443 803898838 /nfs/dbraw/zinc/89/88/38/803898838.db2.gz MNTZILXGVQSYCA-APPZFPTMSA-N -1 0 304.328 -0.927 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000650430167 803899463 /nfs/dbraw/zinc/89/94/63/803899463.db2.gz HHADMKVSFMOHBR-PSASIEDQSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C([O-])CC1(NS(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000650442752 803899469 /nfs/dbraw/zinc/89/94/69/803899469.db2.gz MJBOMKLDGPEUES-UHFFFAOYSA-N -1 0 323.334 -0.052 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-] ZINC000650432678 803899494 /nfs/dbraw/zinc/89/94/94/803899494.db2.gz FFYAYBFZOQSJFL-JTQLQIEISA-N -1 0 324.399 -0.189 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-] ZINC000650432679 803899609 /nfs/dbraw/zinc/89/96/09/803899609.db2.gz FFYAYBFZOQSJFL-SNVBAGLBSA-N -1 0 324.399 -0.189 20 0 DBADRM O=C([O-])c1cn(CCNS(=O)(=O)CC[C@H]2CCCO2)nn1 ZINC000683299043 803905877 /nfs/dbraw/zinc/90/58/77/803905877.db2.gz BQMKGFBTALCRDA-SECBINFHSA-N -1 0 318.355 -0.535 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1 ZINC000683299244 803906048 /nfs/dbraw/zinc/90/60/48/803906048.db2.gz HNRMMGZXONOONY-NSHDSACASA-N -1 0 324.399 -0.377 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1 ZINC000683299243 803906155 /nfs/dbraw/zinc/90/61/55/803906155.db2.gz HNRMMGZXONOONY-LLVKDONJSA-N -1 0 324.399 -0.377 20 0 DBADRM CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000690661123 803908282 /nfs/dbraw/zinc/90/82/82/803908282.db2.gz TZXPNQGKVMJUIV-VIFPVBQESA-N -1 0 307.372 -0.616 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1C(N)=O ZINC000693437638 803908816 /nfs/dbraw/zinc/90/88/16/803908816.db2.gz RSVRNRHRKJDTMM-KNVOCYPGSA-N -1 0 301.324 -0.735 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC1CC(C(=O)[O-])C1 ZINC000693439983 803909300 /nfs/dbraw/zinc/90/93/00/803909300.db2.gz AKJUBHWFMYXVOR-UDNWOFFPSA-N -1 0 304.368 -0.220 20 0 DBADRM CN(C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000694953758 803910149 /nfs/dbraw/zinc/91/01/49/803910149.db2.gz NRKTXLXKIAWHPP-NXEZZACHSA-N -1 0 302.352 -0.012 20 0 DBADRM CN(C(=O)N[C@H]1CC=C(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000694953766 803910386 /nfs/dbraw/zinc/91/03/86/803910386.db2.gz NRKTXLXKIAWHPP-VHSXEESVSA-N -1 0 302.352 -0.012 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCc2ncccn2)C1 ZINC000702369386 803913876 /nfs/dbraw/zinc/91/38/76/803913876.db2.gz ZDOCCOXPGUQUSG-SECBINFHSA-N -1 0 300.340 -0.392 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)c1 ZINC000706773300 803917414 /nfs/dbraw/zinc/91/74/14/803917414.db2.gz JXZPELOXBWNVEF-GHMZBOCLSA-N -1 0 301.320 -0.187 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])CC(=O)NCC(F)(F)F ZINC000715709519 803923375 /nfs/dbraw/zinc/92/33/75/803923375.db2.gz MEZPGSQJVUVWBP-UHFFFAOYSA-N -1 0 300.233 -0.385 20 0 DBADRM COCCCS(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000715884306 803923427 /nfs/dbraw/zinc/92/34/27/803923427.db2.gz UPFPNTOEYUERIQ-CMPLNLGQSA-N -1 0 307.368 -0.224 20 0 DBADRM Cc1nn2c([n-]nc2SCC(=O)N2CCO[C@H](C)C2)nc1=O ZINC000730085691 803931245 /nfs/dbraw/zinc/93/12/45/803931245.db2.gz MIRUEVRSTAETHU-SSDOTTSWSA-N -1 0 324.366 -0.540 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccc(-n2cnnn2)c1 ZINC000737609287 803934612 /nfs/dbraw/zinc/93/46/12/803934612.db2.gz WJDOZCCKYRNIHM-UHFFFAOYSA-N -1 0 319.277 -0.638 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC000737598987 803934867 /nfs/dbraw/zinc/93/48/67/803934867.db2.gz FRMBFBQPKHKSMG-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000737953987 803935542 /nfs/dbraw/zinc/93/55/42/803935542.db2.gz VKNQQVGBYYRCEB-SECBINFHSA-N -1 0 307.372 -0.952 20 0 DBADRM CCc1cc(CNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])[nH]n1 ZINC000737896066 803935864 /nfs/dbraw/zinc/93/58/64/803935864.db2.gz FJFCMTPUELOLNU-SNVBAGLBSA-N -1 0 302.356 -0.145 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000738517936 803938654 /nfs/dbraw/zinc/93/86/54/803938654.db2.gz QZBDQJZFWKIKPM-LBPRGKRZSA-N -1 0 322.292 -0.115 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000738809122 803939181 /nfs/dbraw/zinc/93/91/81/803939181.db2.gz XIGBMBSSEFDBPL-SECBINFHSA-N -1 0 312.326 -0.253 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000739192140 803939771 /nfs/dbraw/zinc/93/97/71/803939771.db2.gz IYAFDYOYDJBOMI-LBPRGKRZSA-N -1 0 317.367 -0.437 20 0 DBADRM CCN(CCNC(=O)N1CCN(C(=O)COC)CC1)C(=O)[O-] ZINC000739426569 803941553 /nfs/dbraw/zinc/94/15/53/803941553.db2.gz MFJGERXFHLWFMV-UHFFFAOYSA-N -1 0 316.358 -0.514 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000739584891 803941761 /nfs/dbraw/zinc/94/17/61/803941761.db2.gz SXMLXSBENRSLPO-SECBINFHSA-N -1 0 310.310 -0.450 20 0 DBADRM CNC(=O)CC(=O)N[C@H](C)[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001280270880 803944075 /nfs/dbraw/zinc/94/40/75/803944075.db2.gz NRJBFAWOLUIQLX-RQJHMYQMSA-N -1 0 311.342 -0.817 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@H](O)c1ccsc1 ZINC000740113792 803944898 /nfs/dbraw/zinc/94/48/98/803944898.db2.gz HWSXJCPOHDXQAB-JTQLQIEISA-N -1 0 319.346 -0.018 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000740664046 803947467 /nfs/dbraw/zinc/94/74/67/803947467.db2.gz SGSXLBZFXSQPTA-SECBINFHSA-N -1 0 300.233 -0.204 20 0 DBADRM COC(=O)CC(C)(C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000741196537 803951634 /nfs/dbraw/zinc/95/16/34/803951634.db2.gz KKNJZNUHEIQCJJ-UHFFFAOYSA-N -1 0 307.310 -0.471 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000743495513 803981522 /nfs/dbraw/zinc/98/15/22/803981522.db2.gz APBXCQCDCWZHKH-UHFFFAOYSA-N -1 0 319.383 -0.049 20 0 DBADRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000744014916 803985444 /nfs/dbraw/zinc/98/54/44/803985444.db2.gz BIOVCEMLSKYFPX-UHFFFAOYSA-N -1 0 316.383 -0.079 20 0 DBADRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000744137258 803987559 /nfs/dbraw/zinc/98/75/59/803987559.db2.gz OPCQNHHDJJQZPI-SNVBAGLBSA-N -1 0 306.384 -0.082 20 0 DBADRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000744131309 803987568 /nfs/dbraw/zinc/98/75/68/803987568.db2.gz WEUJCPRYAJTDTA-UHFFFAOYSA-N -1 0 317.371 -0.741 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000744238628 803988509 /nfs/dbraw/zinc/98/85/09/803988509.db2.gz JBHDOOIYYDWMRF-JTQLQIEISA-N -1 0 305.400 -0.054 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)CCCn1ccccc1=O ZINC000744241000 803988671 /nfs/dbraw/zinc/98/86/71/803988671.db2.gz YOWNBZQPKRHIRS-UHFFFAOYSA-N -1 0 301.368 -0.059 20 0 DBADRM COc1ccccc1S(=O)(=O)[N-]C(=O)[C@H]1COCCO1 ZINC000744210536 803988700 /nfs/dbraw/zinc/98/87/00/803988700.db2.gz XZCTVTVXCHBOFI-SNVBAGLBSA-N -1 0 301.320 -0.085 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1 ZINC000744238747 803988714 /nfs/dbraw/zinc/98/87/14/803988714.db2.gz MBPSHOUKQQSPQD-UHFFFAOYSA-N -1 0 310.339 -0.411 20 0 DBADRM O=C(COc1ccc(O)cc1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000746235944 804011879 /nfs/dbraw/zinc/01/18/79/804011879.db2.gz AXHIJIVYMINNKH-LLVKDONJSA-N -1 0 305.294 -0.116 20 0 DBADRM O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(=O)[nH][n-]1 ZINC000746309746 804014728 /nfs/dbraw/zinc/01/47/28/804014728.db2.gz HZANAQALFLQLMK-LURJTMIESA-N -1 0 306.244 -0.468 20 0 DBADRM CC(C)N1CC[C@H](OC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1=O ZINC000746980457 804022539 /nfs/dbraw/zinc/02/25/39/804022539.db2.gz VDGUCDNSKLCKNN-JTQLQIEISA-N -1 0 319.321 -0.376 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC000747119963 804024439 /nfs/dbraw/zinc/02/44/39/804024439.db2.gz YBZYPUDWKNYYLK-BXKDBHETSA-N -1 0 306.384 -0.274 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000747118712 804024541 /nfs/dbraw/zinc/02/45/41/804024541.db2.gz PDKUROPOBMQYJW-PWSUYJOCSA-N -1 0 304.368 -0.520 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)CSc2n[n-]c(=S)s2)CCO1 ZINC000747215387 804024947 /nfs/dbraw/zinc/02/49/47/804024947.db2.gz BQCUPYWYGUGLIT-YFKPBYRVSA-N -1 0 320.421 -0.368 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]OCc1cccnc1 ZINC000747170511 804025723 /nfs/dbraw/zinc/02/57/23/804025723.db2.gz WOJIHNDGTOLNFC-CYBMUJFWSA-N -1 0 320.349 -0.244 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747756904 804031433 /nfs/dbraw/zinc/03/14/33/804031433.db2.gz FLUBDJOQWCVJOI-WDEREUQCSA-N -1 0 322.383 -0.736 20 0 DBADRM CC(C)COC[C@@H](O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000748403848 804038524 /nfs/dbraw/zinc/03/85/24/804038524.db2.gz BDIDTODHKBAYOA-JTQLQIEISA-N -1 0 323.353 -0.779 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCOc2ncccc21 ZINC000748758061 804043655 /nfs/dbraw/zinc/04/36/55/804043655.db2.gz KDFCWQJFEZMEGI-UHFFFAOYSA-N -1 0 312.289 -0.108 20 0 DBADRM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000749187036 804047406 /nfs/dbraw/zinc/04/74/06/804047406.db2.gz XGGWZPQKFGEGLN-PSASIEDQSA-N -1 0 318.337 -0.769 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(=O)[N-]O[C@@H]2CCCCO2)cn1 ZINC000749618401 804051701 /nfs/dbraw/zinc/05/17/01/804051701.db2.gz HVTPUAIUIOAXKB-LLVKDONJSA-N -1 0 318.355 -0.727 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCOc2ccncc21 ZINC000750138633 804057719 /nfs/dbraw/zinc/05/77/19/804057719.db2.gz SXKLZEQXDXNZTK-UHFFFAOYSA-N -1 0 312.289 -0.108 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cc(C2CC2)n[nH]1 ZINC000750730893 804064597 /nfs/dbraw/zinc/06/45/97/804064597.db2.gz IIBXJOYMCWSWOX-UHFFFAOYSA-N -1 0 300.340 -0.406 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)[C@H]2CSCCS2)n[n-]1 ZINC000751061166 804070517 /nfs/dbraw/zinc/07/05/17/804070517.db2.gz VXQOJSWJZPAKHU-RXMQYKEDSA-N -1 0 308.410 -0.005 20 0 DBADRM CN(Cc1cccc(C(N)=O)c1)C(=O)c1cnc([O-])n(C)c1=O ZINC000751561246 804076551 /nfs/dbraw/zinc/07/65/51/804076551.db2.gz IQAALHWYDXJKIU-UHFFFAOYSA-N -1 0 316.317 -0.143 20 0 DBADRM CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000752470348 804089540 /nfs/dbraw/zinc/08/95/40/804089540.db2.gz DRIZXUUVTXEWGB-MRVPVSSYSA-N -1 0 317.367 -0.256 20 0 DBADRM CCOC(=O)[C@@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000752751832 804093860 /nfs/dbraw/zinc/09/38/60/804093860.db2.gz FNGKHGDSRJABQK-QMMMGPOBSA-N -1 0 307.310 -0.613 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000753413038 804101401 /nfs/dbraw/zinc/10/14/01/804101401.db2.gz TWBIHLXOUOJJII-UHFFFAOYSA-N -1 0 324.380 -0.082 20 0 DBADRM COc1cccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1OC ZINC000753951830 804114537 /nfs/dbraw/zinc/11/45/37/804114537.db2.gz XCVSZZQCRGKDHF-UHFFFAOYSA-N -1 0 302.308 -0.751 20 0 DBADRM CCc1nnc(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[nH]1 ZINC000754814347 804127003 /nfs/dbraw/zinc/12/70/03/804127003.db2.gz ZTIGAKZUUOLHGP-UHFFFAOYSA-N -1 0 303.282 -0.505 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)N1C[C@H](O)C[C@H](O)C1 ZINC000755432487 804136066 /nfs/dbraw/zinc/13/60/66/804136066.db2.gz JGDIIMFQJXFYME-OLQVQODUSA-N -1 0 307.422 -0.127 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCOC2)cc1C(N)=O ZINC000755580385 804138753 /nfs/dbraw/zinc/13/87/53/804138753.db2.gz AKORINRAPJCLCP-GFCCVEGCSA-N -1 0 315.351 -0.645 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000755754767 804140030 /nfs/dbraw/zinc/14/00/30/804140030.db2.gz AWKMAECXHAEHEV-GHMZBOCLSA-N -1 0 306.384 -0.810 20 0 DBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000756584243 804151684 /nfs/dbraw/zinc/15/16/84/804151684.db2.gz AEGLCHISGUYNTO-UHFFFAOYSA-N -1 0 312.756 -0.416 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000756533760 804152005 /nfs/dbraw/zinc/15/20/05/804152005.db2.gz VALBQYHDSSQZMB-UHFFFAOYSA-N -1 0 324.380 -0.002 20 0 DBADRM COC(=O)C(C)(C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000757028225 804160946 /nfs/dbraw/zinc/16/09/46/804160946.db2.gz YFDBZNIKDNUFDK-UHFFFAOYSA-N -1 0 307.310 -0.613 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCc1cnn(C)c1 ZINC000757321415 804161635 /nfs/dbraw/zinc/16/16/35/804161635.db2.gz AZIKSRPCWWCHDP-UHFFFAOYSA-N -1 0 304.372 -0.708 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnn2ccccc12 ZINC000757314492 804162206 /nfs/dbraw/zinc/16/22/06/804162206.db2.gz BLEIWYIGWNJBIK-UHFFFAOYSA-N -1 0 312.351 -0.113 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C2CC2)n(C)n1 ZINC000757339015 804163229 /nfs/dbraw/zinc/16/32/29/804163229.db2.gz GWCQTVWASYYWER-UHFFFAOYSA-N -1 0 316.383 -0.150 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCNS(C)(=O)=O ZINC000758112646 804172382 /nfs/dbraw/zinc/17/23/82/804172382.db2.gz DEBRPUIDELAYFC-UHFFFAOYSA-N -1 0 319.305 -0.891 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)[N-]O[C@H]1CCCCO1 ZINC000758206945 804175547 /nfs/dbraw/zinc/17/55/47/804175547.db2.gz JLMPAQZJNWDAKL-NSHDSACASA-N -1 0 310.372 -0.483 20 0 DBADRM CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758578509 804190344 /nfs/dbraw/zinc/19/03/44/804190344.db2.gz NKYRNRRYHVNNDF-UHFFFAOYSA-N -1 0 314.367 -0.166 20 0 DBADRM C[C@H](OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)NC(N)=O ZINC000759124693 804199484 /nfs/dbraw/zinc/19/94/84/804199484.db2.gz YHODCJDYJCAXEV-BYPYZUCNSA-N -1 0 313.232 -0.430 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CN(C)C(=O)C1CC1 ZINC000759170407 804200112 /nfs/dbraw/zinc/20/01/12/804200112.db2.gz AFPIWNLGPAQNBC-UHFFFAOYSA-N -1 0 315.351 -0.035 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000759182699 804200344 /nfs/dbraw/zinc/20/03/44/804200344.db2.gz MBSJQSHQSDYPHH-UHFFFAOYSA-N -1 0 318.326 -0.265 20 0 DBADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CN(C)C(=O)COC ZINC000759332519 804201969 /nfs/dbraw/zinc/20/19/69/804201969.db2.gz FEBGMHCZIMKAQJ-SNVBAGLBSA-N -1 0 308.400 -0.027 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)C2CC2)cn1 ZINC000759421744 804202493 /nfs/dbraw/zinc/20/24/93/804202493.db2.gz XHSSDNKKZORCLS-UHFFFAOYSA-N -1 0 314.367 -0.424 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCc1ccccn1 ZINC000759439785 804203121 /nfs/dbraw/zinc/20/31/21/804203121.db2.gz ZCKKUBQYYAYZJR-UHFFFAOYSA-N -1 0 301.368 -0.047 20 0 DBADRM CCOCC(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759506650 804203721 /nfs/dbraw/zinc/20/37/21/804203721.db2.gz SZYHMKBUQVSNTC-UHFFFAOYSA-N -1 0 308.341 -0.662 20 0 DBADRM COC(C)(C)C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759522931 804204464 /nfs/dbraw/zinc/20/44/64/804204464.db2.gz ZGOXFCRGXOAKCY-UHFFFAOYSA-N -1 0 322.368 -0.274 20 0 DBADRM CC[C@@H](C[C@@H](C)CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000759572435 804205565 /nfs/dbraw/zinc/20/55/65/804205565.db2.gz ZVKWRLHSHGBCMC-ZJUUUORDSA-N -1 0 307.354 -0.016 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)cn1 ZINC000759832786 804210213 /nfs/dbraw/zinc/21/02/13/804210213.db2.gz PRLLYTXOQYRTAM-QMMMGPOBSA-N -1 0 313.335 -0.579 20 0 DBADRM COC[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(N)=O ZINC000760079150 804219392 /nfs/dbraw/zinc/21/93/92/804219392.db2.gz MESANANJHIBBMU-SECBINFHSA-N -1 0 322.296 -0.053 20 0 DBADRM COC[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C(N)=O ZINC000760079869 804219804 /nfs/dbraw/zinc/21/98/04/804219804.db2.gz WJXFHWWTNYDQRK-SNVBAGLBSA-N -1 0 304.306 -0.192 20 0 DBADRM COC[C@H](NC(=O)CSc1n[n-]c(=S)s1)C(N)=O ZINC000760085310 804220423 /nfs/dbraw/zinc/22/04/23/804220423.db2.gz VYEQTDNEHOYNBJ-BYPYZUCNSA-N -1 0 308.410 -0.465 20 0 DBADRM COC[C@@H](NC(=O)CSc1n[n-]c(=S)s1)C(N)=O ZINC000760085312 804220578 /nfs/dbraw/zinc/22/05/78/804220578.db2.gz VYEQTDNEHOYNBJ-SCSAIBSYSA-N -1 0 308.410 -0.465 20 0 DBADRM COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1 ZINC000760219411 804222650 /nfs/dbraw/zinc/22/26/50/804222650.db2.gz OGYQTBPMGLCBTQ-SNVBAGLBSA-N -1 0 314.319 -0.283 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760488085 804225129 /nfs/dbraw/zinc/22/51/29/804225129.db2.gz YODANNGSAICWBU-YFKPBYRVSA-N -1 0 300.233 -0.906 20 0 DBADRM COC[C@H](O)CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760487858 804225530 /nfs/dbraw/zinc/22/55/30/804225530.db2.gz VSIJAILYRVHNLY-SSDOTTSWSA-N -1 0 300.277 -0.043 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCOC[C@H]1C1CC1 ZINC000760991938 804230887 /nfs/dbraw/zinc/23/08/87/804230887.db2.gz CEGQPXKDMTVLPG-NSHDSACASA-N -1 0 303.322 -0.291 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCc2ccccc21)[C@@H]1CCNC(=O)C1 ZINC000761135713 804234999 /nfs/dbraw/zinc/23/49/99/804234999.db2.gz KGTWBBJUJNNYJF-LLVKDONJSA-N -1 0 323.374 -0.064 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCCC[C@H]1CCO ZINC000761269563 804237699 /nfs/dbraw/zinc/23/76/99/804237699.db2.gz CFMAUMCEEVIDIO-JTQLQIEISA-N -1 0 305.338 -0.165 20 0 DBADRM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000761337166 804238518 /nfs/dbraw/zinc/23/85/18/804238518.db2.gz HUOWCRKMGAPRGI-MRVPVSSYSA-N -1 0 319.364 -0.696 20 0 DBADRM CNC(=O)CC(=O)N1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001282030860 804244082 /nfs/dbraw/zinc/24/40/82/804244082.db2.gz DWXKTKUZAJUKKN-VIFPVBQESA-N -1 0 323.353 -0.767 20 0 DBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1)C(C)C ZINC000762127980 804244757 /nfs/dbraw/zinc/24/47/57/804244757.db2.gz JERAOVKMKVVKDQ-ZJUUUORDSA-N -1 0 322.383 -0.151 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000762249556 804246958 /nfs/dbraw/zinc/24/69/58/804246958.db2.gz MCHPOJVFOVLIDA-HBNTYKKESA-N -1 0 316.379 -0.096 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000762249555 804247009 /nfs/dbraw/zinc/24/70/09/804247009.db2.gz MCHPOJVFOVLIDA-GMTAPVOTSA-N -1 0 316.379 -0.096 20 0 DBADRM CC1=CCN(CCNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000762705935 804253728 /nfs/dbraw/zinc/25/37/28/804253728.db2.gz IVSXNOIIIDFQIS-UHFFFAOYSA-N -1 0 316.365 -0.161 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000763285041 804265460 /nfs/dbraw/zinc/26/54/60/804265460.db2.gz ZTIXDBAHHGCRMJ-VIFPVBQESA-N -1 0 323.330 -0.112 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc2n[nH]nc21 ZINC000763452378 804267844 /nfs/dbraw/zinc/26/78/44/804267844.db2.gz BMKGBOXPFQFHKB-UHFFFAOYSA-N -1 0 311.323 -0.846 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1n[nH]c2c1CCCC2 ZINC000763458532 804268367 /nfs/dbraw/zinc/26/83/67/804268367.db2.gz YCQHFQDEVPVBFH-UHFFFAOYSA-N -1 0 314.367 -0.516 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CCc2n[nH]cc2C1 ZINC000763986270 804278096 /nfs/dbraw/zinc/27/80/96/804278096.db2.gz KURLNAISOZQDIT-SECBINFHSA-N -1 0 314.367 -0.792 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1cc2n(n1)CCCO2 ZINC000764046769 804278225 /nfs/dbraw/zinc/27/82/25/804278225.db2.gz ZHCIWQNWPOTSBM-SECBINFHSA-N -1 0 315.351 -0.238 20 0 DBADRM COc1c(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)c(C)nn1C ZINC000764157669 804278800 /nfs/dbraw/zinc/27/88/00/804278800.db2.gz WPEQDWUMQREECN-SSDOTTSWSA-N -1 0 305.356 -0.168 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccn2c(=O)[nH]nc12 ZINC000764148957 804279063 /nfs/dbraw/zinc/27/90/63/804279063.db2.gz GYRFKJSDASUBTC-SSDOTTSWSA-N -1 0 314.323 -0.471 20 0 DBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)C[C@H](C)OC ZINC000764172201 804279086 /nfs/dbraw/zinc/27/90/86/804279086.db2.gz NSADRLVGNWUUJI-QMMMGPOBSA-N -1 0 313.397 -0.236 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1(=O)=O ZINC000764152948 804279596 /nfs/dbraw/zinc/27/95/96/804279596.db2.gz ROEZLYIJBGPLNK-BDAKNGLRSA-N -1 0 313.397 -0.565 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C ZINC000764174352 804279636 /nfs/dbraw/zinc/27/96/36/804279636.db2.gz TVACFPLFSOJUGO-SSDOTTSWSA-N -1 0 303.340 -0.782 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccn2c(=O)[nH]nc12 ZINC000764149024 804279704 /nfs/dbraw/zinc/27/97/04/804279704.db2.gz GYRFKJSDASUBTC-ZETCQYMHSA-N -1 0 314.323 -0.471 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1 ZINC000764188453 804280763 /nfs/dbraw/zinc/28/07/63/804280763.db2.gz TVJPRQWHSJJRDM-MRVPVSSYSA-N -1 0 300.336 -0.120 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000764214034 804280809 /nfs/dbraw/zinc/28/08/09/804280809.db2.gz AVKGFGXNOPLUQW-SNVBAGLBSA-N -1 0 322.383 -0.894 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2 ZINC000764217462 804281550 /nfs/dbraw/zinc/28/15/50/804281550.db2.gz NIERTCFXIAINKL-GZMMTYOYSA-N -1 0 322.408 -0.467 20 0 DBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C1=O ZINC000764311235 804281557 /nfs/dbraw/zinc/28/15/57/804281557.db2.gz RGWHYKTYLPFAHI-SECBINFHSA-N -1 0 306.384 -0.274 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000764762813 804287686 /nfs/dbraw/zinc/28/76/86/804287686.db2.gz WCGHRFGNXNMSJY-UHFFFAOYSA-N -1 0 322.346 -0.187 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000764753953 804288482 /nfs/dbraw/zinc/28/84/82/804288482.db2.gz KTAXVGJILAOIHI-UHFFFAOYSA-N -1 0 314.319 -0.601 20 0 DBADRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)CNC(C)=O ZINC000764777993 804288950 /nfs/dbraw/zinc/28/89/50/804288950.db2.gz BOYOCVASNUASPQ-UHFFFAOYSA-N -1 0 316.383 -0.514 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000764797391 804289251 /nfs/dbraw/zinc/28/92/51/804289251.db2.gz VQOGETRNMYBDNB-UHFFFAOYSA-N -1 0 302.356 -0.520 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc2cc[nH]c2n1 ZINC000764779386 804289289 /nfs/dbraw/zinc/28/92/89/804289289.db2.gz PLRASRCAGQOYNN-UHFFFAOYSA-N -1 0 310.335 -0.130 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@]12CCOC2 ZINC000764784706 804289310 /nfs/dbraw/zinc/28/93/10/804289310.db2.gz PSAHVXNFROTLKV-ZYHUDNBSSA-N -1 0 307.368 -0.478 20 0 DBADRM CC(=O)O[C@@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000765067101 804293217 /nfs/dbraw/zinc/29/32/17/804293217.db2.gz UCPVJGWRUFARHE-SNVBAGLBSA-N -1 0 319.321 -0.375 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)c1cc(=O)[nH][n-]1)N1CCCC1 ZINC000765204678 804295495 /nfs/dbraw/zinc/29/54/95/804295495.db2.gz ZEMLRQNSMRDIAY-NSHDSACASA-N -1 0 322.365 -0.508 20 0 DBADRM Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)c3ccnn3C)cn12 ZINC000765658593 804305450 /nfs/dbraw/zinc/30/54/50/804305450.db2.gz QLIDAEJGKKUMPP-UHFFFAOYSA-N -1 0 320.334 -0.110 20 0 DBADRM C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765652665 804305873 /nfs/dbraw/zinc/30/58/73/804305873.db2.gz VRKOVONPFMNTLH-ZJUUUORDSA-N -1 0 317.367 -0.191 20 0 DBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccnn2C)cn1 ZINC000765661973 804306078 /nfs/dbraw/zinc/30/60/78/804306078.db2.gz JYMJYACVFCYSHK-UHFFFAOYSA-N -1 0 323.334 -0.707 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)[N-]S(C)(=O)=O)C1 ZINC000766232792 804313926 /nfs/dbraw/zinc/31/39/26/804313926.db2.gz GVWDKNDREOSHLK-QMMMGPOBSA-N -1 0 308.356 -0.302 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnccn1)c1cccn2c(=O)[nH]nc12 ZINC000766274690 804315270 /nfs/dbraw/zinc/31/52/70/804315270.db2.gz CTPHMEOVQATYFC-UHFFFAOYSA-N -1 0 320.290 -0.656 20 0 DBADRM Cc1cc(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n(C)n1 ZINC000766421428 804316107 /nfs/dbraw/zinc/31/61/07/804316107.db2.gz VLIYQHCSDOBQSS-UHFFFAOYSA-N -1 0 302.294 -0.143 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(=O)[N-]OCC(F)(F)F)cn1 ZINC000766770111 804318932 /nfs/dbraw/zinc/31/89/32/804318932.db2.gz VBEFCHKWCLQKLN-UHFFFAOYSA-N -1 0 316.261 -0.692 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)C1(C(=O)OC)CC1 ZINC000766865536 804320140 /nfs/dbraw/zinc/32/01/40/804320140.db2.gz BSPYYCJHAIVPDW-UHFFFAOYSA-N -1 0 307.324 -0.661 20 0 DBADRM Cc1noc(-c2ccccc2C(=O)[N-]S(=O)(=O)CC(N)=O)n1 ZINC000766910341 804320456 /nfs/dbraw/zinc/32/04/56/804320456.db2.gz OAHFNUTXAKJNNU-UHFFFAOYSA-N -1 0 324.318 -0.410 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000766904056 804320532 /nfs/dbraw/zinc/32/05/32/804320532.db2.gz GTVRCFUCYLWTNS-UHFFFAOYSA-N -1 0 315.351 -0.868 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000766846136 804320741 /nfs/dbraw/zinc/32/07/41/804320741.db2.gz ZIBCPGMUIRDKRN-UHFFFAOYSA-N -1 0 319.317 -0.474 20 0 DBADRM COc1ccc(CC(=O)[N-]S(=O)(=O)CC(N)=O)cc1OC ZINC000766908492 804321196 /nfs/dbraw/zinc/32/11/96/804321196.db2.gz BPCVJTPJAMAYFG-UHFFFAOYSA-N -1 0 316.335 -0.822 20 0 DBADRM C[C@@H](Oc1cccc(F)c1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766921215 804321429 /nfs/dbraw/zinc/32/14/29/804321429.db2.gz IXDWPLWXGBQCSZ-SSDOTTSWSA-N -1 0 304.299 -0.476 20 0 DBADRM Cc1ccc(Cl)c(OCC(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766919234 804321494 /nfs/dbraw/zinc/32/14/94/804321494.db2.gz BUJZVZNHUYWLSX-UHFFFAOYSA-N -1 0 320.754 -0.041 20 0 DBADRM C[C@H](Oc1cccc(F)c1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766921222 804321502 /nfs/dbraw/zinc/32/15/02/804321502.db2.gz IXDWPLWXGBQCSZ-ZETCQYMHSA-N -1 0 304.299 -0.476 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C[C@@H]1CCOc2ccccc21 ZINC000766921536 804321938 /nfs/dbraw/zinc/32/19/38/804321938.db2.gz KPVBBHBYMIZQFG-VIFPVBQESA-N -1 0 312.347 -0.126 20 0 DBADRM C[C@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766921472 804322035 /nfs/dbraw/zinc/32/20/35/804322035.db2.gz HHFWMKNLNXRRAW-MRVPVSSYSA-N -1 0 302.327 -0.064 20 0 DBADRM COc1ccc(OCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766918270 804322082 /nfs/dbraw/zinc/32/20/82/804322082.db2.gz WTTXIKDGJPAUGY-UHFFFAOYSA-N -1 0 302.308 -0.995 20 0 DBADRM CCOc1ccc(CC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766924020 804322360 /nfs/dbraw/zinc/32/23/60/804322360.db2.gz UNSIYMOTZUXHKD-UHFFFAOYSA-N -1 0 300.336 -0.441 20 0 DBADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766923279 804322639 /nfs/dbraw/zinc/32/26/39/804322639.db2.gz BDFPVVQRACULPN-UHFFFAOYSA-N -1 0 316.383 -0.200 20 0 DBADRM CC(C)COc1ncccc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766923997 804322838 /nfs/dbraw/zinc/32/28/38/804322838.db2.gz TYNLQSCHSQBUJO-UHFFFAOYSA-N -1 0 315.351 -0.339 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccnn1C1CCCC1 ZINC000766923087 804322915 /nfs/dbraw/zinc/32/29/15/804322915.db2.gz GQWBHQLAEQKERT-UHFFFAOYSA-N -1 0 300.340 -0.457 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(-c2ncon2)cc1 ZINC000766923810 804322972 /nfs/dbraw/zinc/32/29/72/804322972.db2.gz RQGLTDUJBMFMLT-UHFFFAOYSA-N -1 0 310.291 -0.719 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1)n1cccn1 ZINC000766925157 804323273 /nfs/dbraw/zinc/32/32/73/804323273.db2.gz YXMBOXHTTYJWAI-GFCCVEGCSA-N -1 0 322.346 -0.596 20 0 DBADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766926772 804323306 /nfs/dbraw/zinc/32/33/06/804323306.db2.gz ORAWICOZOJCHGA-ZJUUUORDSA-N -1 0 306.384 -0.097 20 0 DBADRM Cn1cc(/C=C\C(=O)N(CC(=O)[O-])CC2CC2)c(=O)n(C)c1=O ZINC000766931001 804324134 /nfs/dbraw/zinc/32/41/34/804324134.db2.gz GDMQXADBIQOVPL-WAYWQWQTSA-N -1 0 321.333 -0.580 20 0 DBADRM C[C@@H](NC(=O)C1CCCCC1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766929492 804324148 /nfs/dbraw/zinc/32/41/48/804324148.db2.gz ZZMWTTROPWIECX-MRVPVSSYSA-N -1 0 319.383 -0.997 20 0 DBADRM COc1cccc(COCC(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766929621 804324241 /nfs/dbraw/zinc/32/42/41/804324241.db2.gz OJOCCCBPQHQXGL-UHFFFAOYSA-N -1 0 316.335 -0.857 20 0 DBADRM Cc1cccc(-n2cc(C(=O)[N-]S(=O)(=O)CC(N)=O)nn2)c1 ZINC000766929826 804324333 /nfs/dbraw/zinc/32/43/33/804324333.db2.gz STXVAQJWQBIMHL-UHFFFAOYSA-N -1 0 323.334 -0.879 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000766928603 804324459 /nfs/dbraw/zinc/32/44/59/804324459.db2.gz IEISVEFBZDFWKD-HTQZYQBOSA-N -1 0 318.301 0.000 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000766957604 804324950 /nfs/dbraw/zinc/32/49/50/804324950.db2.gz QCURGXWTEQMPKE-UHFFFAOYSA-N -1 0 302.352 -0.129 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)o1 ZINC000766952094 804325088 /nfs/dbraw/zinc/32/50/88/804325088.db2.gz OQMLYXSSINVMJO-UHFFFAOYSA-N -1 0 304.324 -0.135 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000767075719 804325820 /nfs/dbraw/zinc/32/58/20/804325820.db2.gz VANONPWHHAGCNT-NSHDSACASA-N -1 0 313.354 -0.612 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000767501930 804331084 /nfs/dbraw/zinc/33/10/84/804331084.db2.gz XVJDPXCJHGAGNE-QMMMGPOBSA-N -1 0 302.356 -0.207 20 0 DBADRM CC(C)CCC(=O)NCCNC(=O)c1cnc([O-])n(C)c1=O ZINC001282900478 804333247 /nfs/dbraw/zinc/33/32/47/804333247.db2.gz LBSGRNKVKXOEHI-UHFFFAOYSA-N -1 0 310.354 -0.232 20 0 DBADRM CN1C(=O)CN([N-]S(=O)(=O)c2cccnc2Cl)C1=O ZINC000767844933 804335481 /nfs/dbraw/zinc/33/54/81/804335481.db2.gz XGUPDHKRDAOZRL-UHFFFAOYSA-N -1 0 304.715 -0.178 20 0 DBADRM COCCn1cc(NC(=O)c2c([O-])n(C)c(=O)n(C)c2=O)cn1 ZINC000768127182 804338009 /nfs/dbraw/zinc/33/80/09/804338009.db2.gz QYTQGGHQAREHLO-UHFFFAOYSA-N -1 0 323.309 -0.865 20 0 DBADRM COc1ccc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)nc1 ZINC000768874397 804344432 /nfs/dbraw/zinc/34/44/32/804344432.db2.gz ZUCZTJLAPAUJDU-UHFFFAOYSA-N -1 0 314.305 -0.209 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2ccon2)CC1 ZINC000769246030 804347659 /nfs/dbraw/zinc/34/76/59/804347659.db2.gz BSDPWJLWWAYVQP-UHFFFAOYSA-N -1 0 302.308 -0.036 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000769355289 804348464 /nfs/dbraw/zinc/34/84/64/804348464.db2.gz OCXVJFYXOJWDSG-MWLCHTKSSA-N -1 0 307.306 -0.194 20 0 DBADRM CNS(=O)(=O)CC(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000769460806 804349142 /nfs/dbraw/zinc/34/91/42/804349142.db2.gz NNDHSFCQMTZBCN-UHFFFAOYSA-N -1 0 314.363 -0.309 20 0 DBADRM Cn1[nH]c(C(C)(C)C)cc1=NC(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000769756442 804351930 /nfs/dbraw/zinc/35/19/30/804351930.db2.gz VFIMAVPNIXOKSI-SNVBAGLBSA-N -1 0 324.381 -0.137 20 0 DBADRM CC(=O)N1C[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])Oc2ccccc21 ZINC000769744758 804352001 /nfs/dbraw/zinc/35/20/01/804352001.db2.gz QEGNIXGBGINMMW-WFASDCNBSA-N -1 0 322.317 -0.248 20 0 DBADRM CCOC1CC(O)(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000769710237 804352514 /nfs/dbraw/zinc/35/25/14/804352514.db2.gz SFLYMHGGUQZBPJ-UHFFFAOYSA-N -1 0 321.337 -0.883 20 0 DBADRM C[C@@](O)(CNC(=O)Cc1cnn(-c2ccccc2)n1)C(=O)[O-] ZINC000769746609 804352577 /nfs/dbraw/zinc/35/25/77/804352577.db2.gz LFXAMMUCESICAQ-CQSZACIVSA-N -1 0 304.306 -0.238 20 0 DBADRM CC(=O)N1C[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])Oc2ccccc21 ZINC000769744751 804352700 /nfs/dbraw/zinc/35/27/00/804352700.db2.gz QEGNIXGBGINMMW-DOMZBBRYSA-N -1 0 322.317 -0.248 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccc(N2CCOCC2)nc1)C(=O)[O-] ZINC000769742132 804352772 /nfs/dbraw/zinc/35/27/72/804352772.db2.gz IAXQXTHNYBIZOP-CQSZACIVSA-N -1 0 309.322 -0.516 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(C(=O)OC)no2)C1=O ZINC000769813879 804353637 /nfs/dbraw/zinc/35/36/37/804353637.db2.gz CTVJXWDUCNDXEU-LBPRGKRZSA-N -1 0 310.266 -0.174 20 0 DBADRM CCOc1ncccc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000770139631 804359364 /nfs/dbraw/zinc/35/93/64/804359364.db2.gz IEUJIYCSIQOFAA-UHFFFAOYSA-N -1 0 315.351 -0.213 20 0 DBADRM COc1nc(C(=O)OCCN2CCCS2(=O)=O)cc(=O)[n-]1 ZINC000770508133 804364953 /nfs/dbraw/zinc/36/49/53/804364953.db2.gz JKTDLCZNHYNLLW-UHFFFAOYSA-N -1 0 317.323 -0.617 20 0 DBADRM COc1nc(C(=O)OCC(=O)NC2CCOCC2)cc(=O)[n-]1 ZINC000770511401 804365041 /nfs/dbraw/zinc/36/50/41/804365041.db2.gz NXCBQBSRBSGURD-UHFFFAOYSA-N -1 0 311.294 -0.357 20 0 DBADRM Cc1cnn(CCC(=O)NCCNC(=O)c2[nH]nc(C)c2[O-])c1 ZINC001282974895 804365482 /nfs/dbraw/zinc/36/54/82/804365482.db2.gz NIBMMIZUYSJHJG-UHFFFAOYSA-N -1 0 320.353 -0.135 20 0 DBADRM CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000771284360 804375072 /nfs/dbraw/zinc/37/50/72/804375072.db2.gz PETBSUSWVZNTGA-UHFFFAOYSA-N -1 0 302.356 -0.711 20 0 DBADRM C[C@H]1[C@H](C)N(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCN1C ZINC000771399364 804375290 /nfs/dbraw/zinc/37/52/90/804375290.db2.gz VACJEPOFQZCMKU-UWVGGRQHSA-N -1 0 304.354 -0.378 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)n(C)n1 ZINC000771521581 804375972 /nfs/dbraw/zinc/37/59/72/804375972.db2.gz ZXZSDPPSMRNYDA-DTWKUNHWSA-N -1 0 317.367 -0.014 20 0 DBADRM Cn1cnn(-c2ccc(NC(=O)c3cc(=O)[nH][n-]3)cc2)c1=O ZINC000771405657 804376401 /nfs/dbraw/zinc/37/64/01/804376401.db2.gz VOCVMNUWFDCLRO-UHFFFAOYSA-N -1 0 300.278 -0.615 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(CC(=O)[N-]OCc2ccccc2)C1 ZINC000772217682 804384476 /nfs/dbraw/zinc/38/44/76/804384476.db2.gz BQQSAEZEEPUONS-LBPRGKRZSA-N -1 0 313.379 -0.403 20 0 DBADRM O=C(N[C@@H]1CCC(=O)NC1=O)c1n[n-]c2ccccc2c1=O ZINC000772715587 804390434 /nfs/dbraw/zinc/39/04/34/804390434.db2.gz BHTSFBZPNHRMTG-SECBINFHSA-N -1 0 300.274 -0.130 20 0 DBADRM O=C(N[C@H]1CCC(=O)NC1=O)c1n[n-]c2ccccc2c1=O ZINC000772715588 804391006 /nfs/dbraw/zinc/39/10/06/804391006.db2.gz BHTSFBZPNHRMTG-VIFPVBQESA-N -1 0 300.274 -0.130 20 0 DBADRM COCCCOCCN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000773996018 804411023 /nfs/dbraw/zinc/41/10/23/804411023.db2.gz IBSKJAFULOAPBI-UHFFFAOYSA-N -1 0 323.353 -0.417 20 0 DBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)c2cnn(C)c2)c(=O)c1 ZINC000774048528 804412109 /nfs/dbraw/zinc/41/21/09/804412109.db2.gz YZDMVBAGOZVKHQ-UHFFFAOYSA-N -1 0 310.335 -0.605 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)C1=O ZINC000774037957 804412311 /nfs/dbraw/zinc/41/23/11/804412311.db2.gz MJMFYLSHRKYJAS-LLVKDONJSA-N -1 0 323.374 -0.112 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CN(C)[C@@H]1CCSC1 ZINC000774084878 804413060 /nfs/dbraw/zinc/41/30/60/804413060.db2.gz AQEGLKVEFSRIGX-VHSXEESVSA-N -1 0 310.441 -0.095 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000774075867 804413150 /nfs/dbraw/zinc/41/31/50/804413150.db2.gz RCJKLDXAIQPMCA-UHFFFAOYSA-N -1 0 312.307 -0.886 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1)[C@@H]1CCSC1 ZINC000774087493 804413489 /nfs/dbraw/zinc/41/34/89/804413489.db2.gz SKFCAWFLGDBHPD-ZJUUUORDSA-N -1 0 308.425 -0.341 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCCCc1c[nH]nn1 ZINC000774098500 804415380 /nfs/dbraw/zinc/41/53/80/804415380.db2.gz XTJHETKZUQUZNP-SECBINFHSA-N -1 0 304.372 -0.002 20 0 DBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)c(=O)c1 ZINC000774185369 804418039 /nfs/dbraw/zinc/41/80/39/804418039.db2.gz BHRLZTMAPGFTIB-LLVKDONJSA-N -1 0 314.363 -0.218 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cc(OC)n(C)n1 ZINC000774208526 804418625 /nfs/dbraw/zinc/41/86/25/804418625.db2.gz XBUIHNCWPMUVET-UHFFFAOYSA-N -1 0 321.355 -0.849 20 0 DBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)c2ccnn2C)c(=O)c1 ZINC000774212305 804418775 /nfs/dbraw/zinc/41/87/75/804418775.db2.gz WIZHTSAOAPTNRF-UHFFFAOYSA-N -1 0 310.335 -0.605 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)CCc1ccnn1C ZINC000774206194 804418946 /nfs/dbraw/zinc/41/89/46/804418946.db2.gz NFYHUGUSNYQZQC-UHFFFAOYSA-N -1 0 319.383 -0.538 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)c1 ZINC000774247741 804419059 /nfs/dbraw/zinc/41/90/59/804419059.db2.gz XFHZWBVGHBWXLJ-SECBINFHSA-N -1 0 314.367 -0.253 20 0 DBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)C1CCC1 ZINC000774306081 804420282 /nfs/dbraw/zinc/42/02/82/804420282.db2.gz SSJVQHRYXDJEIQ-UHFFFAOYSA-N -1 0 322.346 -0.210 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)COC3)C1=O ZINC000774290540 804420740 /nfs/dbraw/zinc/42/07/40/804420740.db2.gz DGBBHCUBHFGCCJ-GFCCVEGCSA-N -1 0 324.358 0.000 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)OCc2n[nH]c(=O)[n-]2)ccc1F ZINC000774915842 804434241 /nfs/dbraw/zinc/43/42/41/804434241.db2.gz XVBDPUDVYSJACB-UHFFFAOYSA-N -1 0 316.270 -0.346 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)OCc2n[nH]c(=O)[n-]2)s1 ZINC000774918705 804434361 /nfs/dbraw/zinc/43/43/61/804434361.db2.gz GUWKCXBGCRQODS-UHFFFAOYSA-N -1 0 318.336 -0.495 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)o1 ZINC000774969486 804435791 /nfs/dbraw/zinc/43/57/91/804435791.db2.gz PYZYUQWTNIYLMD-UHFFFAOYSA-N -1 0 316.295 -0.491 20 0 DBADRM COc1cc(NC(=O)c2c([O-])[nH]c(=O)[nH]c2=O)cc(OC)c1 ZINC000775385974 804440947 /nfs/dbraw/zinc/44/09/47/804440947.db2.gz NCTNLRBMZRTNMZ-UHFFFAOYSA-N -1 0 307.262 -0.376 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)CCC1=O ZINC000775536979 804442937 /nfs/dbraw/zinc/44/29/37/804442937.db2.gz WJIZJPKHRCSFTQ-UWVGGRQHSA-N -1 0 304.368 -0.315 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccn(C(F)F)n1 ZINC000776095435 804448056 /nfs/dbraw/zinc/44/80/56/804448056.db2.gz CISUJRVKXWZTDS-UHFFFAOYSA-N -1 0 312.298 -0.169 20 0 DBADRM COc1cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cnc1Cl ZINC000776447229 804455825 /nfs/dbraw/zinc/45/58/25/804455825.db2.gz HRUVJEFIPLUDLE-SSDOTTSWSA-N -1 0 324.742 -0.143 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000776502591 804457247 /nfs/dbraw/zinc/45/72/47/804457247.db2.gz HRIOJBFYWNQUKC-SVRRBLITSA-N -1 0 323.758 -0.159 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCO[C@@H](C)C1 ZINC000776535067 804457346 /nfs/dbraw/zinc/45/73/46/804457346.db2.gz XWPYYNGTLBCYMB-QWRGUYRKSA-N -1 0 309.384 -0.090 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000776564624 804458011 /nfs/dbraw/zinc/45/80/11/804458011.db2.gz OIEHDUZTEZHYML-MRVPVSSYSA-N -1 0 319.412 -0.359 20 0 DBADRM COCCn1cc(S(=O)(=O)NCC[C@@H](C)C(=O)[O-])cn1 ZINC000776587233 804459891 /nfs/dbraw/zinc/45/98/91/804459891.db2.gz JVMDWNDELOVDPE-SECBINFHSA-N -1 0 305.356 -0.081 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC000776600755 804460491 /nfs/dbraw/zinc/46/04/91/804460491.db2.gz ISVOPECFRPLJAV-SNVBAGLBSA-N -1 0 317.367 -0.032 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC000776600449 804460694 /nfs/dbraw/zinc/46/06/94/804460694.db2.gz IDENSSGBTHCGHT-NSHDSACASA-N -1 0 324.399 -0.331 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC000776623820 804460854 /nfs/dbraw/zinc/46/08/54/804460854.db2.gz AOUJXBGWVBUGTH-QMMMGPOBSA-N -1 0 303.340 -0.403 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc(Cl)n1C ZINC000776702353 804461547 /nfs/dbraw/zinc/46/15/47/804461547.db2.gz ZUJFCAMYAQJWBE-LURJTMIESA-N -1 0 311.747 -0.206 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000776690129 804461599 /nfs/dbraw/zinc/46/15/99/804461599.db2.gz MUVAJMUGZAWRFZ-SSDOTTSWSA-N -1 0 323.758 -0.062 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(S(=O)(=O)NC1CC1)CC2 ZINC000776713840 804461974 /nfs/dbraw/zinc/46/19/74/804461974.db2.gz COASWLPDLOGNJR-UHFFFAOYSA-N -1 0 303.340 -0.321 20 0 DBADRM O=C(NCCCNC(=O)[C@H]1CC12CCC2)c1n[nH]c(=O)[n-]c1=O ZINC001283252975 804468370 /nfs/dbraw/zinc/46/83/70/804468370.db2.gz COEPTCHMICAZAV-MRVPVSSYSA-N -1 0 321.337 -0.291 20 0 DBADRM O=C(Cc1[nH]nc2c1CCCC2)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000777246829 804469777 /nfs/dbraw/zinc/46/97/77/804469777.db2.gz NOPMOHLGYOGHBD-LBPRGKRZSA-N -1 0 317.353 -0.056 20 0 DBADRM C[C@@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)NC(=O)OC(C)(C)C ZINC000777362969 804469935 /nfs/dbraw/zinc/46/99/35/804469935.db2.gz SAKJTWSNGQWUDM-ZETCQYMHSA-N -1 0 323.371 -0.779 20 0 DBADRM NC(=O)c1cc([N-]S(=O)(=O)c2cccc3nonc32)n[nH]1 ZINC000778084777 804478934 /nfs/dbraw/zinc/47/89/34/804478934.db2.gz OGORHJHJMGLJGJ-UHFFFAOYSA-N -1 0 308.279 -0.154 20 0 DBADRM CN1C(=O)CN([N-]S(=O)(=O)c2cnn(CC3CC3)c2)C1=O ZINC000778062829 804479103 /nfs/dbraw/zinc/47/91/03/804479103.db2.gz PZKQVVDVDLYLIR-UHFFFAOYSA-N -1 0 313.339 -0.620 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC2(CN(CCF)C2)CC1 ZINC001035744249 815020697 /nfs/dbraw/zinc/02/06/97/815020697.db2.gz CLFFJYXUMACLRR-UHFFFAOYSA-N -1 0 311.317 -0.210 20 0 DBADRM CC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC ZINC000778848762 804490247 /nfs/dbraw/zinc/49/02/47/804490247.db2.gz NPLXHZFNDJVHNL-MRVPVSSYSA-N -1 0 305.356 -0.033 20 0 DBADRM O=C(CN1CCOCC1)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000779186466 804495215 /nfs/dbraw/zinc/49/52/15/804495215.db2.gz XDFFBWPNFDEAEH-CYBMUJFWSA-N -1 0 302.338 -0.263 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H](C(N)=O)C1 ZINC000779303948 804496389 /nfs/dbraw/zinc/49/63/89/804496389.db2.gz GSADPGFNVGLSAH-PSASIEDQSA-N -1 0 318.337 -0.816 20 0 DBADRM CC(C)NS(=O)(=O)c1ccc(C(=O)N=c2nn[n-]n2C)cc1 ZINC000779467133 804497649 /nfs/dbraw/zinc/49/76/49/804497649.db2.gz ZFRAAESUXJDSCV-UHFFFAOYSA-N -1 0 324.366 -0.429 20 0 DBADRM Cn1[n-]nnc1=NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000779467417 804498151 /nfs/dbraw/zinc/49/81/51/804498151.db2.gz OIIAICNFAQVYJH-UHFFFAOYSA-N -1 0 313.321 -0.251 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)COC[C@H]3CCCO3)C2)nn1 ZINC000780320328 804513642 /nfs/dbraw/zinc/51/36/42/804513642.db2.gz YVSFBACTCYONCR-SNVBAGLBSA-N -1 0 310.310 -0.445 20 0 DBADRM C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)C(=O)[O-] ZINC000780351904 804513838 /nfs/dbraw/zinc/51/38/38/804513838.db2.gz LYAVJKCTWLQDOL-RXMQYKEDSA-N -1 0 307.353 -0.332 20 0 DBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)c2ccccn2)cn1 ZINC000780376987 804514815 /nfs/dbraw/zinc/51/48/15/804514815.db2.gz AWPXHXBSRXOOJS-UHFFFAOYSA-N -1 0 322.302 -0.223 20 0 DBADRM CCN(CC(=O)[O-])C(=O)N[C@H]1CCc2nc(COC)nn2C1 ZINC000780655043 804518948 /nfs/dbraw/zinc/51/89/48/804518948.db2.gz HHSGNLSGIXLTTQ-VIFPVBQESA-N -1 0 311.342 -0.145 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCCNC(=O)c2ncn(C)n2)c1[O-] ZINC001283535888 804525103 /nfs/dbraw/zinc/52/51/03/804525103.db2.gz NAQYTOAGMVDQFV-UHFFFAOYSA-N -1 0 321.341 -0.556 20 0 DBADRM O=C(NCCN1CCNC(=O)C1)c1n[n-]c2ccccc2c1=O ZINC000781211418 804525913 /nfs/dbraw/zinc/52/59/13/804525913.db2.gz QRYUKYNBYMQULT-UHFFFAOYSA-N -1 0 315.333 -0.503 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)on1 ZINC000781455089 804529165 /nfs/dbraw/zinc/52/91/65/804529165.db2.gz TWYVPUYWGSRQAF-ZCFIWIBFSA-N -1 0 304.280 -0.690 20 0 DBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)c1=O ZINC000781512546 804529612 /nfs/dbraw/zinc/52/96/12/804529612.db2.gz IYCVDFXLPCSGBG-VIFPVBQESA-N -1 0 300.336 -0.376 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1cnn2cccnc12 ZINC000781510045 804529786 /nfs/dbraw/zinc/52/97/86/804529786.db2.gz CBBFCWMEXBTWMR-SECBINFHSA-N -1 0 310.335 -0.032 20 0 DBADRM CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781503789 804529898 /nfs/dbraw/zinc/52/98/98/804529898.db2.gz KBPGAQQHXZJJER-SECBINFHSA-N -1 0 313.397 -0.564 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000781510813 804529909 /nfs/dbraw/zinc/52/99/09/804529909.db2.gz JUESDCWPMRXBJQ-YPMHNXCESA-N -1 0 318.395 -0.130 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)o1 ZINC000781512800 804530119 /nfs/dbraw/zinc/53/01/19/804530119.db2.gz TVQPMFDSTRBKLR-SSDOTTSWSA-N -1 0 302.308 -0.383 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)c[nH]1 ZINC000781515079 804530906 /nfs/dbraw/zinc/53/09/06/804530906.db2.gz RENRMBCXYKRYEV-QMMMGPOBSA-N -1 0 301.324 -0.648 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccn(C(F)F)n1 ZINC000781727907 804532977 /nfs/dbraw/zinc/53/29/77/804532977.db2.gz BNTQWWZSWBUJOF-UHFFFAOYSA-N -1 0 306.254 -0.475 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1COc2ccccc21 ZINC000781728440 804533231 /nfs/dbraw/zinc/53/32/31/804533231.db2.gz IBSFNZFSHDPWMD-SECBINFHSA-N -1 0 308.319 -0.204 20 0 DBADRM CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2cnnn2C)n(C)n1 ZINC000781728476 804533611 /nfs/dbraw/zinc/53/36/11/804533611.db2.gz IAHXLNJREJCHLA-UHFFFAOYSA-N -1 0 312.355 -0.209 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cccc2nccnc21 ZINC000781732798 804534447 /nfs/dbraw/zinc/53/44/47/804534447.db2.gz ULOJHFSWCGEUDR-UHFFFAOYSA-N -1 0 318.318 -0.123 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cs1 ZINC000781734880 804534648 /nfs/dbraw/zinc/53/46/48/804534648.db2.gz NXQDLKJEVMBQHJ-UHFFFAOYSA-N -1 0 315.336 -0.906 20 0 DBADRM COCc1ccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)o1 ZINC000781742816 804535547 /nfs/dbraw/zinc/53/55/47/804535547.db2.gz SISAWCDQMXDLNO-UHFFFAOYSA-N -1 0 300.296 -0.327 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CN1CCc2ccccc21 ZINC000781743053 804535851 /nfs/dbraw/zinc/53/58/51/804535851.db2.gz WKCMGLXMHKUZJZ-UHFFFAOYSA-N -1 0 321.362 -0.317 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OCO2 ZINC000781741271 804535963 /nfs/dbraw/zinc/53/59/63/804535963.db2.gz SDWOCABACOPCRH-UHFFFAOYSA-N -1 0 324.318 -0.409 20 0 DBADRM COC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)c1 ZINC000781740031 804536015 /nfs/dbraw/zinc/53/60/15/804536015.db2.gz LDSLBPRIDJQUBP-UHFFFAOYSA-N -1 0 324.318 -0.280 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CCn1cc(Cl)cn1 ZINC000781741651 804536050 /nfs/dbraw/zinc/53/60/50/804536050.db2.gz MFSTZYCYYVBEOL-UHFFFAOYSA-N -1 0 318.746 -0.440 20 0 DBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)cn1 ZINC000781855785 804536839 /nfs/dbraw/zinc/53/68/39/804536839.db2.gz KFLZERCBIKYOLO-UHFFFAOYSA-N -1 0 322.364 -0.670 20 0 DBADRM C[C@H](C(=O)N(C)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001283604945 804536900 /nfs/dbraw/zinc/53/69/00/804536900.db2.gz YNTLYBFNPFYBQU-QMMMGPOBSA-N -1 0 323.353 -0.093 20 0 DBADRM CC(=O)c1cccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC001324906046 807015510 /nfs/dbraw/zinc/01/55/10/807015510.db2.gz DYSJAAJWSOHPKA-UHFFFAOYSA-N -1 0 303.278 -0.032 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)COC)c(C)n1 ZINC000782605512 804551307 /nfs/dbraw/zinc/55/13/07/804551307.db2.gz HGNVQEDONFITLL-VIFPVBQESA-N -1 0 319.383 -0.068 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)c1 ZINC000782704757 804552372 /nfs/dbraw/zinc/55/23/72/804552372.db2.gz XVKPJBPDVMRMOS-SNVBAGLBSA-N -1 0 317.367 -0.241 20 0 DBADRM CO[C@H]1COCC[C@@H]1N(C)C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000883637752 807019854 /nfs/dbraw/zinc/01/98/54/807019854.db2.gz VPDNHGRYNRCXPJ-UWVGGRQHSA-N -1 0 302.327 -0.818 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1nonc1C ZINC000783598260 804566843 /nfs/dbraw/zinc/56/68/43/804566843.db2.gz WSJAMONTVQXAOM-UHFFFAOYSA-N -1 0 301.284 -0.003 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)n1 ZINC000784537399 804581933 /nfs/dbraw/zinc/58/19/33/804581933.db2.gz FFZDCUCKPKMGQG-JTQLQIEISA-N -1 0 317.367 -0.374 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)n1 ZINC000784542858 804582187 /nfs/dbraw/zinc/58/21/87/804582187.db2.gz PTPSTDCCSHFJMM-SNVBAGLBSA-N -1 0 317.367 -0.232 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@H]2CO[C@H](C)C2)c(C)nn1C ZINC000784557615 804582853 /nfs/dbraw/zinc/58/28/53/804582853.db2.gz WSZCLKPZXNSXOD-VXNVDRBHSA-N -1 0 317.367 -0.033 20 0 DBADRM CCOC(=O)[C@H](C)[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000784717802 804585344 /nfs/dbraw/zinc/58/53/44/804585344.db2.gz RYTWCBBSIIKOQG-BDAKNGLRSA-N -1 0 321.337 -0.225 20 0 DBADRM Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)N2CCOCC2)cn1 ZINC000784884770 804589466 /nfs/dbraw/zinc/58/94/66/804589466.db2.gz ZMEMDVSQONDWAY-UHFFFAOYSA-N -1 0 316.383 -0.609 20 0 DBADRM Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785384252 804597491 /nfs/dbraw/zinc/59/74/91/804597491.db2.gz HZUKEHHFMBSDDT-UHFFFAOYSA-N -1 0 323.353 -0.061 20 0 DBADRM CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)[N-]OC)cc1 ZINC000785368422 804597632 /nfs/dbraw/zinc/59/76/32/804597632.db2.gz ALKXPYCVBRRQAQ-UHFFFAOYSA-N -1 0 315.351 -0.009 20 0 DBADRM CCOC(=O)c1ccsc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785385460 804597651 /nfs/dbraw/zinc/59/76/51/804597651.db2.gz WOLUJAMTBDVORR-UHFFFAOYSA-N -1 0 315.307 -0.604 20 0 DBADRM CCOc1cc(NC(=O)C(=O)[N-]OCC(N)=O)ccc1OC ZINC000785390108 804598555 /nfs/dbraw/zinc/59/85/55/804598555.db2.gz WQHLQAZTSJHHDA-UHFFFAOYSA-N -1 0 311.294 -0.435 20 0 DBADRM CCN1CCc2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc21 ZINC000785387338 804598636 /nfs/dbraw/zinc/59/86/36/804598636.db2.gz DMNGOOJEETVUBV-UHFFFAOYSA-N -1 0 306.322 -0.459 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000785387305 804598786 /nfs/dbraw/zinc/59/87/86/804598786.db2.gz CCOSGSZKKPNASJ-UHFFFAOYSA-N -1 0 306.322 -0.242 20 0 DBADRM CC(=O)N[C@H](CC1CCC1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000786418027 804615089 /nfs/dbraw/zinc/61/50/89/804615089.db2.gz OJORLUHUFKPZLV-VXGBXAGGSA-N -1 0 318.395 -0.084 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCc1nnnn1C ZINC000786771514 804621663 /nfs/dbraw/zinc/62/16/63/804621663.db2.gz WYHXMPYSVVACDH-ZETCQYMHSA-N -1 0 309.248 -0.044 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000786943671 804625070 /nfs/dbraw/zinc/62/50/70/804625070.db2.gz CHMSXPIFWMBWQA-AEJSXWLSSA-N -1 0 306.384 -0.241 20 0 DBADRM O=C(CNC(=O)c1ccc(Br)o1)[N-]OCCO ZINC000787295390 804632249 /nfs/dbraw/zinc/63/22/49/804632249.db2.gz GDYNOHBESGDGRA-UHFFFAOYSA-N -1 0 307.100 -0.188 20 0 DBADRM CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)[N-]OCCO)C2=O ZINC000787286253 804632384 /nfs/dbraw/zinc/63/23/84/804632384.db2.gz CIRMYFUVPJOXBP-CQSZACIVSA-N -1 0 313.354 -0.083 20 0 DBADRM O=C([N-]OCCO)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000787295625 804632496 /nfs/dbraw/zinc/63/24/96/804632496.db2.gz WMUFKYYGVZFGRG-LLVKDONJSA-N -1 0 322.317 -0.149 20 0 DBADRM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)[N-]OCCO)C2=O ZINC000787291939 804632612 /nfs/dbraw/zinc/63/26/12/804632612.db2.gz CZQOQLXNOYVWSA-UWVGGRQHSA-N -1 0 313.354 -0.227 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC1CCC2(CC1)OCCO2 ZINC000787413463 804633756 /nfs/dbraw/zinc/63/37/56/804633756.db2.gz QQCAEOBETHAPLJ-UHFFFAOYSA-N -1 0 316.354 -0.127 20 0 DBADRM CC(C)CN1C[C@H]2CN(C(=O)c3cc(=O)[nH][n-]3)CCN2C1=O ZINC000787925839 804645997 /nfs/dbraw/zinc/64/59/97/804645997.db2.gz QFKOZCXGUVVBDP-SNVBAGLBSA-N -1 0 307.354 -0.533 20 0 DBADRM CC(=O)C[C@H](NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000787933852 804647423 /nfs/dbraw/zinc/64/74/23/804647423.db2.gz DWMSBVLARJEVNS-LURJTMIESA-N -1 0 309.731 -0.216 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CCn1ccnn1 ZINC000788091611 804649592 /nfs/dbraw/zinc/64/95/92/804649592.db2.gz QXSSHNANIYLQLA-UHFFFAOYSA-N -1 0 300.300 -0.948 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000788150827 804651431 /nfs/dbraw/zinc/65/14/31/804651431.db2.gz XYOXWGQMJIDEJX-BQBZGAKWSA-N -1 0 300.344 -0.439 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)[N-]OC[C@@H]1CCOC1)n1cccn1 ZINC000788272566 804654768 /nfs/dbraw/zinc/65/47/68/804654768.db2.gz BWCPMTCHPVKFJK-VXGBXAGGSA-N -1 0 310.354 -0.013 20 0 DBADRM CCCCCC(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001284200187 804655636 /nfs/dbraw/zinc/65/56/36/804655636.db2.gz UANHJUJDZWWUMZ-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM NS(=O)(=O)c1ccc(S(=O)(=O)NC/C=C\C(=O)[O-])cc1 ZINC000788447289 804661678 /nfs/dbraw/zinc/66/16/78/804661678.db2.gz LELDJWKUSVPKKK-UPHRSURJSA-N -1 0 320.348 -0.747 20 0 DBADRM O=C([O-])/C=C/CNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000788448509 804662015 /nfs/dbraw/zinc/66/20/15/804662015.db2.gz VZNGPBHRONHKDZ-ZZXKWVIFSA-N -1 0 316.379 -0.052 20 0 DBADRM CC/C(C)=C/C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001284229728 804663136 /nfs/dbraw/zinc/66/31/36/804663136.db2.gz FUVIAKOTLYXURO-IVGLGHLBSA-N -1 0 309.326 -0.126 20 0 DBADRM CSC1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000789337540 804670964 /nfs/dbraw/zinc/67/09/64/804670964.db2.gz UKKXBEFYJJIETR-UHFFFAOYSA-N -1 0 317.392 -0.176 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCOC(F)(F)F ZINC000789686819 804675348 /nfs/dbraw/zinc/67/53/48/804675348.db2.gz NNFGNNXGUAPHBD-UHFFFAOYSA-N -1 0 305.216 -0.276 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000789828092 804677246 /nfs/dbraw/zinc/67/72/46/804677246.db2.gz XOHFZDWFQZHAPU-UHFFFAOYSA-N -1 0 320.309 -0.397 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC000789826818 804677850 /nfs/dbraw/zinc/67/78/50/804677850.db2.gz NAVRZZJDLXMNLN-UHFFFAOYSA-N -1 0 320.309 -0.397 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cnnn2-c2cccc(F)c2)C1=O ZINC000790007100 804682748 /nfs/dbraw/zinc/68/27/48/804682748.db2.gz GRZXBDAUWUWBQH-UHFFFAOYSA-N -1 0 318.268 -0.055 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cccnc1-n1cccn1 ZINC000790076630 804683493 /nfs/dbraw/zinc/68/34/93/804683493.db2.gz IWFMDHOZAOMZOT-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(-n2ccnc2)nc1 ZINC000790077662 804684138 /nfs/dbraw/zinc/68/41/38/804684138.db2.gz VXHNMBBBBDCXMN-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM COC[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H]1CCCO1 ZINC000790273539 804687652 /nfs/dbraw/zinc/68/76/52/804687652.db2.gz KIFVTDYFAPVNJT-GHMZBOCLSA-N -1 0 321.337 -0.619 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)s1 ZINC000790768219 804695411 /nfs/dbraw/zinc/69/54/11/804695411.db2.gz UFJZUPDLUOTTBL-UHFFFAOYSA-N -1 0 318.376 -0.280 20 0 DBADRM Cc1cccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)c1 ZINC000790767939 804695589 /nfs/dbraw/zinc/69/55/89/804695589.db2.gz RICJYETXEGGDDT-UHFFFAOYSA-N -1 0 312.347 -0.341 20 0 DBADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000790766854 804695624 /nfs/dbraw/zinc/69/56/24/804695624.db2.gz XGWWMOYRBHOLGD-UHFFFAOYSA-N -1 0 312.347 -0.341 20 0 DBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000790767816 804695714 /nfs/dbraw/zinc/69/57/14/804695714.db2.gz PUZXPQQQLRZULI-TWGQIWQCSA-N -1 0 324.358 -0.038 20 0 DBADRM CC(C)(C)NC(=O)N1CCC(NC(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000791389999 804703142 /nfs/dbraw/zinc/70/31/42/804703142.db2.gz AUJREZIVCVPXIL-UHFFFAOYSA-N -1 0 309.370 -0.049 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCCS1(=O)=O ZINC000791829654 804709194 /nfs/dbraw/zinc/70/91/94/804709194.db2.gz KKJYNFMIADMAFL-SECBINFHSA-N -1 0 312.413 -0.344 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cn(C(C)(C)C)nn1 ZINC000791888002 804711354 /nfs/dbraw/zinc/71/13/54/804711354.db2.gz VSVSNNCHXRQIMT-UHFFFAOYSA-N -1 0 313.343 -0.720 20 0 DBADRM O=C([N-]S(=O)(=O)c1ncccc1F)[C@@H]1CCNC(=O)C1 ZINC000791934916 804711979 /nfs/dbraw/zinc/71/19/79/804711979.db2.gz KYNATWMXANXXGM-SSDOTTSWSA-N -1 0 301.299 -0.448 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ncccc2F)C1=O ZINC000791935445 804712171 /nfs/dbraw/zinc/71/21/71/804712171.db2.gz QESGMCUWLXXQQH-SSDOTTSWSA-N -1 0 301.299 -0.496 20 0 DBADRM O=C(Cn1ccccc1=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791941338 804712342 /nfs/dbraw/zinc/71/23/42/804712342.db2.gz HZCZOARNXIUYRE-UHFFFAOYSA-N -1 0 311.294 -0.113 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791947722 804712510 /nfs/dbraw/zinc/71/25/10/804712510.db2.gz NIELBCNOEPYXKY-ZETCQYMHSA-N -1 0 303.315 -0.060 20 0 DBADRM CC(=O)N1CCC[C@H]1CCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001284480827 804716531 /nfs/dbraw/zinc/71/65/31/804716531.db2.gz MEHRMNOOOOKMKL-SECBINFHSA-N -1 0 309.326 -0.196 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)OC(C)(C)C ZINC000792507364 804717519 /nfs/dbraw/zinc/71/75/19/804717519.db2.gz XEMJGDKOTLXJEO-LURJTMIESA-N -1 0 313.314 -0.074 20 0 DBADRM O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc(=O)[nH][n-]1 ZINC000792517693 804718493 /nfs/dbraw/zinc/71/84/93/804718493.db2.gz ZNCOBPFISDGJAF-NSHDSACASA-N -1 0 318.308 -0.081 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)C[C@H]2CCCOC2)CCOC1 ZINC000792773717 804722274 /nfs/dbraw/zinc/72/22/74/804722274.db2.gz RWFGUUPMOOADKP-JQWIXIFHSA-N -1 0 307.368 -0.336 20 0 DBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)COC3)n1 ZINC000793188479 804725762 /nfs/dbraw/zinc/72/57/62/804725762.db2.gz BWETVMLEZCPLIE-UHFFFAOYSA-N -1 0 308.319 -0.036 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC000793196848 804727126 /nfs/dbraw/zinc/72/71/26/804727126.db2.gz MTWVQSJEEPGMQN-UHFFFAOYSA-N -1 0 309.307 -0.983 20 0 DBADRM C[C@H](Cn1ncc2ccccc21)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000793198063 804727690 /nfs/dbraw/zinc/72/76/90/804727690.db2.gz UQHDQBZFAPPRSO-SECBINFHSA-N -1 0 324.362 -0.396 20 0 DBADRM Cc1c(S(=O)(=O)N[C@H](C(=O)[O-])C2CCOCC2)cnn1C ZINC000793973532 804742542 /nfs/dbraw/zinc/74/25/42/804742542.db2.gz QCZHGKUKBBMKQA-NSHDSACASA-N -1 0 317.367 -0.113 20 0 DBADRM C[C@@]1(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCOC1=O ZINC000794099082 804743913 /nfs/dbraw/zinc/74/39/13/804743913.db2.gz MLMRFHHXWGOXFX-CYBMUJFWSA-N -1 0 304.262 -0.129 20 0 DBADRM Cn1c2ccc(OC(=O)c3n[nH]c(=O)[n-]c3=O)cc2n(C)c1=O ZINC000794163256 804744637 /nfs/dbraw/zinc/74/46/37/804744637.db2.gz AJVNDPHJNMKVBL-UHFFFAOYSA-N -1 0 317.261 -0.308 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]OC/C=C\Cl ZINC000794287915 804747143 /nfs/dbraw/zinc/74/71/43/804747143.db2.gz AFBWCJGSBJGXKF-ATPLWMGHSA-N -1 0 303.746 -0.086 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C[C@H]1COCC2 ZINC000794762809 804750599 /nfs/dbraw/zinc/75/05/99/804750599.db2.gz NJPFTMKUYTXURM-OHUAYANFSA-N -1 0 322.361 -0.053 20 0 DBADRM CNC(=O)COc1ccc(NC(=O)c2cc(=O)[nH][n-]2)c(C)c1 ZINC000796368811 804771546 /nfs/dbraw/zinc/77/15/46/804771546.db2.gz NPGZSWXZVLAYSX-UHFFFAOYSA-N -1 0 304.306 -0.066 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cncs2)cc1C(N)=O ZINC000796695892 804772559 /nfs/dbraw/zinc/77/25/59/804772559.db2.gz IKXBXXOALAMNHN-UHFFFAOYSA-N -1 0 314.348 -0.301 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CCc1cnccn1 ZINC000796707832 804773595 /nfs/dbraw/zinc/77/35/95/804773595.db2.gz ILDGXWUAJXDIRT-UHFFFAOYSA-N -1 0 315.351 -0.192 20 0 DBADRM NC(=O)Cc1occc1C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000796736853 804774082 /nfs/dbraw/zinc/77/40/82/804774082.db2.gz IFIZKIGNBPQRNS-UHFFFAOYSA-N -1 0 309.303 -0.179 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)CCn1cnccc1=O ZINC000796848160 804774265 /nfs/dbraw/zinc/77/42/65/804774265.db2.gz NYCYGYXRRRPRCG-UHFFFAOYSA-N -1 0 302.356 -0.665 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796882898 804774664 /nfs/dbraw/zinc/77/46/64/804774664.db2.gz KKJQIGBCXKVHRJ-ZETCQYMHSA-N -1 0 312.307 -0.374 20 0 DBADRM Cn1ccc(CCC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)n1 ZINC000797052748 804776667 /nfs/dbraw/zinc/77/66/67/804776667.db2.gz CVMKHYRCXWFGAK-LLVKDONJSA-N -1 0 301.368 -0.022 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C(C)C)nn1 ZINC000797062284 804777330 /nfs/dbraw/zinc/77/73/30/804777330.db2.gz OCGKAYQERIJKMZ-ZETCQYMHSA-N -1 0 304.328 -0.520 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1occ2c1CCOC2 ZINC000797072046 804777446 /nfs/dbraw/zinc/77/74/46/804777446.db2.gz VVHVSBLUVBKTGK-UHFFFAOYSA-N -1 0 316.335 -0.341 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCn1cnccc1=O ZINC000797168310 804777503 /nfs/dbraw/zinc/77/75/03/804777503.db2.gz DITBKTAWFJIHRP-SECBINFHSA-N -1 0 303.340 -0.886 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000797162925 804778096 /nfs/dbraw/zinc/77/80/96/804778096.db2.gz BEYIWGNLUUJDJU-UHFFFAOYSA-N -1 0 316.339 -0.786 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCCn1cccn1 ZINC000797280356 804778780 /nfs/dbraw/zinc/77/87/80/804778780.db2.gz ALHJEANHMWWKDW-VIFPVBQESA-N -1 0 303.340 -0.329 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc(C)nc1C ZINC000797283122 804778822 /nfs/dbraw/zinc/77/88/22/804778822.db2.gz OVCVOMATMTVMNN-ZETCQYMHSA-N -1 0 301.324 -0.285 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCOCC(F)(F)F ZINC000797290819 804779640 /nfs/dbraw/zinc/77/96/40/804779640.db2.gz IMOKSWHPKLIKTJ-ZCFIWIBFSA-N -1 0 321.273 -0.037 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)C1 ZINC000797290687 804779709 /nfs/dbraw/zinc/77/97/09/804779709.db2.gz CBPWMJCFDWLJLJ-DTWKUNHWSA-N -1 0 320.367 -0.748 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC000797285502 804779727 /nfs/dbraw/zinc/77/97/27/804779727.db2.gz OLKCTZNGNQHGDG-VIFPVBQESA-N -1 0 316.335 -0.754 20 0 DBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000797289958 804779844 /nfs/dbraw/zinc/77/98/44/804779844.db2.gz HWXODMHJVFJXCI-DTWKUNHWSA-N -1 0 311.356 -0.565 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)cn1 ZINC000797289336 804779863 /nfs/dbraw/zinc/77/98/63/804779863.db2.gz GFLHEHLUESEBKW-SSDOTTSWSA-N -1 0 317.323 -0.504 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](OC)c1cnn(C)c1 ZINC000797300311 804780210 /nfs/dbraw/zinc/78/02/10/804780210.db2.gz MKGASMQCFPSDKU-APPZFPTMSA-N -1 0 319.339 -0.885 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C)[nH]c1=O ZINC000797302926 804780368 /nfs/dbraw/zinc/78/03/68/804780368.db2.gz VTMIJCCWZDEXAZ-SSDOTTSWSA-N -1 0 302.308 -0.283 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cncc(OC)n1 ZINC000797303888 804780757 /nfs/dbraw/zinc/78/07/57/804780757.db2.gz ZLFCQSMIEXHGLC-ZCFIWIBFSA-N -1 0 303.296 -0.894 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC000797299149 804780777 /nfs/dbraw/zinc/78/07/77/804780777.db2.gz OSPCNLYGPBHAJG-UFBFGSQYSA-N -1 0 320.367 -0.748 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC000797299140 804780795 /nfs/dbraw/zinc/78/07/95/804780795.db2.gz OSPCNLYGPBHAJG-PELKAZGASA-N -1 0 320.367 -0.748 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)[C@@H](C)C1 ZINC000797306575 804781451 /nfs/dbraw/zinc/78/14/51/804781451.db2.gz PYSUSDKAGVBTKH-CIUDSAMLSA-N -1 0 305.352 -0.001 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)[N-]O[C@H]1CCCCO1 ZINC000798168081 804786189 /nfs/dbraw/zinc/78/61/89/804786189.db2.gz ZPWDXXXMZPSBOD-MFKMUULPSA-N -1 0 315.370 -0.033 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)[N-]O[C@H]1CCCCO1 ZINC000798168079 804786429 /nfs/dbraw/zinc/78/64/29/804786429.db2.gz ZPWDXXXMZPSBOD-GWCFXTLKSA-N -1 0 315.370 -0.033 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCc1cnn(C)c1 ZINC000798201634 804786936 /nfs/dbraw/zinc/78/69/36/804786936.db2.gz VPAIRBTWHOAFEA-QMMMGPOBSA-N -1 0 303.340 -0.640 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000798200871 804787043 /nfs/dbraw/zinc/78/70/43/804787043.db2.gz PNHMXIGFLDGXHK-MRVPVSSYSA-N -1 0 308.356 -0.700 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000798200730 804787303 /nfs/dbraw/zinc/78/73/03/804787303.db2.gz OERJPXSPSCXZEO-ZETCQYMHSA-N -1 0 310.328 -0.870 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC000798199739 804787442 /nfs/dbraw/zinc/78/74/42/804787442.db2.gz HDULTPCRFDUYTD-QMMMGPOBSA-N -1 0 320.367 -0.700 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn2cccnc12 ZINC000798201161 804787449 /nfs/dbraw/zinc/78/74/49/804787449.db2.gz RXDPAGWXOSOXDI-SSDOTTSWSA-N -1 0 312.307 -0.650 20 0 DBADRM CC/C=C(/C)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001284926787 804800668 /nfs/dbraw/zinc/80/06/68/804800668.db2.gz OXVYLTYRHFSSQB-DAXSKMNVSA-N -1 0 307.310 -0.420 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC000798834220 804802017 /nfs/dbraw/zinc/80/20/17/804802017.db2.gz WRDSLJXZFYWMDJ-SECBINFHSA-N -1 0 300.384 -0.162 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@@]1(C)CCC(=O)NC1 ZINC000798854220 804803156 /nfs/dbraw/zinc/80/31/56/804803156.db2.gz ONJOVYAPCCSUDD-LBPRGKRZSA-N -1 0 306.384 -0.225 20 0 DBADRM Cn1nncc1C(=O)OCCOCC[N-]C(=O)C(F)(F)F ZINC000798850900 804803204 /nfs/dbraw/zinc/80/32/04/804803204.db2.gz XRUSIENOGGMBCP-UHFFFAOYSA-N -1 0 310.232 -0.333 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](C)n1cncn1)C(=O)[O-] ZINC000799247114 804809816 /nfs/dbraw/zinc/80/98/16/804809816.db2.gz CYMAJBHAZCYABM-ZJUUUORDSA-N -1 0 311.342 -0.429 20 0 DBADRM O=C(Cn1c(=S)[n-]c2ccccc2c1=O)N[C@@H]1CNC(=O)C1 ZINC000799717885 804814801 /nfs/dbraw/zinc/81/48/01/804814801.db2.gz VVYHHBADICFORR-QMMMGPOBSA-N -1 0 318.358 -0.310 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)N2CCC3(CC2)OCCO3)CCC1 ZINC000800024496 804819443 /nfs/dbraw/zinc/81/94/43/804819443.db2.gz XJIZCVVAFMNRKR-UHFFFAOYSA-N -1 0 320.367 -0.333 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000800024170 804819724 /nfs/dbraw/zinc/81/97/24/804819724.db2.gz LQRSHAOMSPWQLJ-UHFFFAOYSA-N -1 0 306.340 -0.723 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)COc1ccsc1 ZINC000800408769 804824602 /nfs/dbraw/zinc/82/46/02/804824602.db2.gz CLBBDJIPOGQYSZ-UHFFFAOYSA-N -1 0 302.337 -0.240 20 0 DBADRM Cc1nccn1CCCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800551261 804825210 /nfs/dbraw/zinc/82/52/10/804825210.db2.gz XKYDSDHHKYYDEL-UHFFFAOYSA-N -1 0 316.383 -0.446 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccc2c[nH]nc2c1 ZINC000800549409 804825324 /nfs/dbraw/zinc/82/53/24/804825324.db2.gz LCFXJHRCNWDAKD-UHFFFAOYSA-N -1 0 324.362 -0.313 20 0 DBADRM CC[C@@H]1C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCO1 ZINC000800550093 804825384 /nfs/dbraw/zinc/82/53/84/804825384.db2.gz BUBPEKFNKQMRFB-VHSXEESVSA-N -1 0 306.384 -0.226 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc2cccnn21 ZINC000800551121 804825648 /nfs/dbraw/zinc/82/56/48/804825648.db2.gz QIONMNPXOMVRMC-UHFFFAOYSA-N -1 0 310.335 -0.470 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc2c(c1)COC2 ZINC000800549793 804825656 /nfs/dbraw/zinc/82/56/56/804825656.db2.gz OODXCNZMRLFZQW-UHFFFAOYSA-N -1 0 312.347 -0.088 20 0 DBADRM Cc1cnn(CCC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000800549400 804825695 /nfs/dbraw/zinc/82/56/95/804825695.db2.gz LTQJYRIWPYYSQA-UHFFFAOYSA-N -1 0 302.356 -0.836 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnc2cnccc2c1 ZINC000800548779 804825723 /nfs/dbraw/zinc/82/57/23/804825723.db2.gz CZUYIIHISJTLPS-UHFFFAOYSA-N -1 0 322.346 -0.175 20 0 DBADRM CC(C)(C)n1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nn1 ZINC000800549608 804825750 /nfs/dbraw/zinc/82/57/50/804825750.db2.gz NJSNNMQHRIPVFZ-UHFFFAOYSA-N -1 0 317.371 -0.771 20 0 DBADRM CC(=O)[C@@H]1C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1(C)C ZINC000800550924 804825813 /nfs/dbraw/zinc/82/58/13/804825813.db2.gz JLBCYTJTXYKVMY-VHSXEESVSA-N -1 0 318.395 -0.180 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(NC=O)cc1 ZINC000800551932 804826537 /nfs/dbraw/zinc/82/65/37/804826537.db2.gz FWPRTPNGPFSERZ-UHFFFAOYSA-N -1 0 313.335 -0.549 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CCn1ccnn1 ZINC000802032006 804841254 /nfs/dbraw/zinc/84/12/54/804841254.db2.gz NLNIEQIOGNQQQJ-UHFFFAOYSA-N -1 0 312.355 -0.476 20 0 DBADRM COCCOc1cncc(C(=O)[N-]S(=O)(=O)CCOC)c1 ZINC000802081401 804841621 /nfs/dbraw/zinc/84/16/21/804841621.db2.gz OEXOHEZZFFJZPS-UHFFFAOYSA-N -1 0 318.351 -0.187 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)COCc1cc(C)no1 ZINC000802083511 804841712 /nfs/dbraw/zinc/84/17/12/804841712.db2.gz LFDPLQCXHQIAJE-SECBINFHSA-N -1 0 306.340 -0.019 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cncc(-n2ccnn2)c1 ZINC000802081391 804841758 /nfs/dbraw/zinc/84/17/58/804841758.db2.gz NXSSYTZTHHBSEX-UHFFFAOYSA-N -1 0 311.323 -0.632 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC ZINC000802161042 804842278 /nfs/dbraw/zinc/84/22/78/804842278.db2.gz NKOIPPZLWDONHO-DJLDLDEBSA-N -1 0 322.383 -0.455 20 0 DBADRM Cc1cc(COCC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)on1 ZINC000802083788 804842373 /nfs/dbraw/zinc/84/23/73/804842373.db2.gz QJJZXHOSQQSHDH-SNVBAGLBSA-N -1 0 304.324 -0.265 20 0 DBADRM C/C=C(\C)C(=O)NC1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001285186657 804843077 /nfs/dbraw/zinc/84/30/77/804843077.db2.gz RAFPDZLRJCNRCU-XVNBXDOJSA-N -1 0 321.337 -0.126 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1COCCO1 ZINC000802165191 804843292 /nfs/dbraw/zinc/84/32/92/804843292.db2.gz RCNKZZXPJXLOLI-HLTSFMKQSA-N -1 0 309.340 -0.955 20 0 DBADRM Cc1cc(=O)c(COC(=O)[C@H]2CCCN2S(C)(=O)=O)n[n-]1 ZINC000802171193 804843652 /nfs/dbraw/zinc/84/36/52/804843652.db2.gz FPAJWYYKOPDVHV-SNVBAGLBSA-N -1 0 315.351 -0.042 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1nnn(C)c1C ZINC000802167723 804843678 /nfs/dbraw/zinc/84/36/78/804843678.db2.gz PQWQNDNFPACMAF-HTRCEHHLSA-N -1 0 318.355 -0.619 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)o1 ZINC000802208932 804844286 /nfs/dbraw/zinc/84/42/86/804844286.db2.gz DBMZYXIBFIXHCL-UHFFFAOYSA-N -1 0 324.318 -0.360 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)c[nH]1 ZINC000803005791 804848921 /nfs/dbraw/zinc/84/89/21/804848921.db2.gz RMFWALNNBKFYRD-MRVPVSSYSA-N -1 0 315.351 -0.400 20 0 DBADRM COc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)nn1C ZINC000803011012 804849119 /nfs/dbraw/zinc/84/91/19/804849119.db2.gz NNXVYPXFQJMVJU-VIFPVBQESA-N -1 0 317.367 -0.085 20 0 DBADRM O=C(Cn1ccccc1=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000802999140 804849150 /nfs/dbraw/zinc/84/91/50/804849150.db2.gz GJXJJKJJZIDLPJ-LLVKDONJSA-N -1 0 314.363 -0.279 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)C(=O)[N-]OCCSC)C1 ZINC000804016649 804861549 /nfs/dbraw/zinc/86/15/49/804861549.db2.gz HHMASOKIHMEIKY-SECBINFHSA-N -1 0 319.383 -0.256 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@@H](C)CN1CCOCC1 ZINC000804024924 804862085 /nfs/dbraw/zinc/86/20/85/804862085.db2.gz ZSFLPCUUZSRNOV-GFCCVEGCSA-N -1 0 317.386 -0.845 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCC(=O)N1CCCCCC1 ZINC000804079878 804866079 /nfs/dbraw/zinc/86/60/79/804866079.db2.gz ZFOZQYLXOILQLK-UHFFFAOYSA-N -1 0 315.370 -0.411 20 0 DBADRM COC(=O)C(C)(C)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000804261406 804868175 /nfs/dbraw/zinc/86/81/75/804868175.db2.gz YHXQKCMOKKRTJD-UHFFFAOYSA-N -1 0 321.337 -0.223 20 0 DBADRM COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)[N-]OCCSC ZINC000804354179 804868256 /nfs/dbraw/zinc/86/82/56/804868256.db2.gz IEKDQHBYHFFEGP-NSHDSACASA-N -1 0 319.427 -0.376 20 0 DBADRM COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(=O)[nH][n-]2)C1 ZINC000804368453 804869152 /nfs/dbraw/zinc/86/91/52/804869152.db2.gz DPJGXXMHARNEDA-SNVBAGLBSA-N -1 0 307.228 -0.184 20 0 DBADRM CCOC(=O)COCCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000805447876 804889285 /nfs/dbraw/zinc/88/92/85/804889285.db2.gz FVNUBRIXJIPSSW-UHFFFAOYSA-N -1 0 324.293 -0.806 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001285465470 804889423 /nfs/dbraw/zinc/88/94/23/804889423.db2.gz LTTWTTXZCGKONB-YEMZYZDBSA-N -1 0 307.310 -0.659 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCC(=O)c1cscn1 ZINC000805448401 804890217 /nfs/dbraw/zinc/89/02/17/804890217.db2.gz MPNWOLIGSNFKSG-UHFFFAOYSA-N -1 0 319.302 -0.046 20 0 DBADRM C[C@H](OCC(=O)[N-]S(=O)(=O)N1CCCC1)c1nccn1C ZINC000805863535 804905274 /nfs/dbraw/zinc/90/52/74/804905274.db2.gz DSKRLESHXLPIRT-JTQLQIEISA-N -1 0 316.383 -0.046 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(F)cn1 ZINC000805915808 804905452 /nfs/dbraw/zinc/90/54/52/804905452.db2.gz QIWKPPPOQXYJOJ-SSDOTTSWSA-N -1 0 304.299 -0.229 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CCC2=O)CC1 ZINC000806030810 804909497 /nfs/dbraw/zinc/90/94/97/804909497.db2.gz OUBVJTFXJXFESH-UHFFFAOYSA-N -1 0 302.352 -0.086 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C ZINC000806764420 804922892 /nfs/dbraw/zinc/92/28/92/804922892.db2.gz DRQBSWXYABZKQY-VIFPVBQESA-N -1 0 319.358 -0.290 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1COC2(CCCCC2)O1 ZINC000806694694 804923165 /nfs/dbraw/zinc/92/31/65/804923165.db2.gz JRTZCODIFATTJB-LLVKDONJSA-N -1 0 316.354 -0.127 20 0 DBADRM CC1(CC(=O)NCC=CCNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001285595538 804923434 /nfs/dbraw/zinc/92/34/34/804923434.db2.gz OAHWNJJOIMWZKN-NSCUHMNNSA-N -1 0 321.337 -0.125 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001285600717 804924509 /nfs/dbraw/zinc/92/45/09/804924509.db2.gz XRVIDTFFSRXCIA-HVSMVGKISA-N -1 0 321.337 -0.269 20 0 DBADRM C/C=C(/C)C(=O)N[C@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001285637851 804933551 /nfs/dbraw/zinc/93/35/51/804933551.db2.gz KVDSIXXVUNMQCQ-BZJXQOFCSA-N -1 0 308.338 -0.313 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@@H](C)CC1(C)OCCO1 ZINC000807417901 804935982 /nfs/dbraw/zinc/93/59/82/804935982.db2.gz DHIAFDWYFMROFL-NSHDSACASA-N -1 0 318.370 -0.024 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1ccc(OC(F)F)cn1 ZINC000807529347 804936901 /nfs/dbraw/zinc/93/69/01/804936901.db2.gz QQHKNGGFVPBZTB-UHFFFAOYSA-N -1 0 319.264 -0.007 20 0 DBADRM O=C([C@H](O)c1ccccc1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000807992842 804945162 /nfs/dbraw/zinc/94/51/62/804945162.db2.gz LZKXEYDBPJQKPB-LLVKDONJSA-N -1 0 303.322 -0.257 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cn(C)c(C)n2)C1=O ZINC000808309492 804956755 /nfs/dbraw/zinc/95/67/55/804956755.db2.gz DTQQJKCMRAVIRA-LLVKDONJSA-N -1 0 315.355 -0.358 20 0 DBADRM Cn1nncc1[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000808564484 804961831 /nfs/dbraw/zinc/96/18/31/804961831.db2.gz UPMIUPMGJFFXMF-UHFFFAOYSA-N -1 0 320.338 -0.194 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CCO1 ZINC000808776859 804965334 /nfs/dbraw/zinc/96/53/34/804965334.db2.gz DQXFYPTXXGTGOY-GHMZBOCLSA-N -1 0 309.370 -0.063 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)[N-]OCCCC(=O)OC ZINC000808965644 804966271 /nfs/dbraw/zinc/96/62/71/804966271.db2.gz MKZBNUVFCJVYMJ-UHFFFAOYSA-N -1 0 312.326 -0.078 20 0 DBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000808965764 804966664 /nfs/dbraw/zinc/96/66/64/804966664.db2.gz LEIMISRANGSQLL-UHFFFAOYSA-N -1 0 312.326 -0.024 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCc1cnc(C2CC2)nc1 ZINC000808870652 804966868 /nfs/dbraw/zinc/96/68/68/804966868.db2.gz JABARSGBFKPVKR-UHFFFAOYSA-N -1 0 308.338 -0.293 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cnn(CCF)c1 ZINC000809002879 804967372 /nfs/dbraw/zinc/96/73/72/804967372.db2.gz LULOIKXYNVIAPY-UHFFFAOYSA-N -1 0 302.291 -0.900 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)C[C@H]1CCCC(=O)N1 ZINC000808999828 804967490 /nfs/dbraw/zinc/96/74/90/804967490.db2.gz IKYUTQFMJLFEAN-SNVBAGLBSA-N -1 0 306.384 -0.082 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnn(CCF)c1 ZINC000808992696 804967745 /nfs/dbraw/zinc/96/77/45/804967745.db2.gz LLBRMBMRBGXFLS-UHFFFAOYSA-N -1 0 308.335 -0.595 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC(=O)N2)cn1 ZINC000808991125 804967828 /nfs/dbraw/zinc/96/78/28/804967828.db2.gz SEKMFBNGFLDPLS-SECBINFHSA-N -1 0 314.367 -0.233 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)nn1 ZINC000809001059 804967942 /nfs/dbraw/zinc/96/79/42/804967942.db2.gz BUWNZMLJGBXQGM-UHFFFAOYSA-N -1 0 320.281 -0.605 20 0 DBADRM COc1ncc(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C)cn1 ZINC000809034679 804968549 /nfs/dbraw/zinc/96/85/49/804968549.db2.gz BYIVJVJCDCTQEU-UHFFFAOYSA-N -1 0 311.323 -0.354 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C)nn1 ZINC000809035991 804969581 /nfs/dbraw/zinc/96/95/81/804969581.db2.gz NXRDPANORYKJMB-UHFFFAOYSA-N -1 0 312.355 -0.151 20 0 DBADRM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)[N-]OCCSC ZINC000809239698 804971494 /nfs/dbraw/zinc/97/14/94/804971494.db2.gz OMKGZTVVDUQVPZ-IUCAKERBSA-N -1 0 303.384 -0.572 20 0 DBADRM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)[N-]OCCOC)C1 ZINC000809232277 804971538 /nfs/dbraw/zinc/97/15/38/804971538.db2.gz IWJIBAZHFPIWTE-BJFPOWJFSA-N -1 0 320.411 -0.123 20 0 DBADRM COCCO[N-]C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000810479483 804995689 /nfs/dbraw/zinc/99/56/89/804995689.db2.gz PAAQTMTTYKOIJY-UHFFFAOYSA-N -1 0 302.352 -0.032 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)[N-]S(=O)(=O)N1CCCC1)CC2 ZINC000810548300 804995898 /nfs/dbraw/zinc/99/58/98/804995898.db2.gz WHNMTDUTTQLOAM-SECBINFHSA-N -1 0 313.383 -0.623 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ncn(C)n2)c1 ZINC000810558140 804996065 /nfs/dbraw/zinc/99/60/65/804996065.db2.gz WQDNKWDEAUNPBV-UHFFFAOYSA-N -1 0 324.318 -0.280 20 0 DBADRM COCC1(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)CCOCC1 ZINC000810585439 804996563 /nfs/dbraw/zinc/99/65/63/804996563.db2.gz UQLXRGYZAOOPEE-SNVBAGLBSA-N -1 0 307.368 -0.336 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000810627627 804997025 /nfs/dbraw/zinc/99/70/25/804997025.db2.gz VGAIXRMLAUUOAL-SECBINFHSA-N -1 0 315.399 -0.377 20 0 DBADRM CC(C)(COCC(F)F)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000810667536 804997161 /nfs/dbraw/zinc/99/71/61/804997161.db2.gz BLCQDNCCTABQJF-UHFFFAOYSA-N -1 0 302.299 -0.774 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnccn1)c1nnc2ccccc2n1 ZINC000810627776 804997231 /nfs/dbraw/zinc/99/72/31/804997231.db2.gz MNPKAHJPLNZWBX-UHFFFAOYSA-N -1 0 316.302 -0.067 20 0 DBADRM COCC1(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)CCOCC1 ZINC000810721828 804998213 /nfs/dbraw/zinc/99/82/13/804998213.db2.gz FAQNBTUHNUOUFO-JTQLQIEISA-N -1 0 309.384 -0.090 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCCCC(N)=O ZINC000810681504 804998399 /nfs/dbraw/zinc/99/83/99/804998399.db2.gz JVEVTIGFJMJTHZ-BDAKNGLRSA-N -1 0 322.383 -0.324 20 0 DBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2c(C)onc2N)nn1C ZINC000810831479 805000290 /nfs/dbraw/zinc/00/02/90/805000290.db2.gz HBGLWHHEVFBKBW-UHFFFAOYSA-N -1 0 315.311 -0.574 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H](C)c1cnn(C)c1 ZINC000810829835 805000301 /nfs/dbraw/zinc/00/03/01/805000301.db2.gz FOVGWCCRKOZHRD-LURJTMIESA-N -1 0 313.339 -0.093 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H](C)c1cnn(C)c1 ZINC000810829837 805000483 /nfs/dbraw/zinc/00/04/83/805000483.db2.gz FOVGWCCRKOZHRD-ZCFIWIBFSA-N -1 0 313.339 -0.093 20 0 DBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000810832710 805000689 /nfs/dbraw/zinc/00/06/89/805000689.db2.gz RZJRRLMCIJICNQ-UHFFFAOYSA-N -1 0 307.328 -0.577 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cncnc1 ZINC000811140906 805004899 /nfs/dbraw/zinc/00/48/99/805004899.db2.gz VTOUVFPJZCBCTR-UHFFFAOYSA-N -1 0 301.324 -0.265 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CCn1ccnn1 ZINC000811144839 805005335 /nfs/dbraw/zinc/00/53/35/805005335.db2.gz ZAEAVQTUISETNB-UHFFFAOYSA-N -1 0 318.355 -0.687 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000811158900 805005672 /nfs/dbraw/zinc/00/56/72/805005672.db2.gz ALZAUHNLCTXPQZ-UHFFFAOYSA-N -1 0 301.324 -0.648 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC(=O)N2)CC1 ZINC000811159289 805005758 /nfs/dbraw/zinc/00/57/58/805005758.db2.gz PSJSTUFHIULBRJ-VIFPVBQESA-N -1 0 304.368 -0.330 20 0 DBADRM CCOCCO[N-]C(=O)CNS(=O)(=O)c1cccnc1 ZINC000811162261 805005869 /nfs/dbraw/zinc/00/58/69/805005869.db2.gz FQGCNJUVSVWTHL-UHFFFAOYSA-N -1 0 303.340 -0.556 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cnn3cccnc23)CC1 ZINC000811157998 805006179 /nfs/dbraw/zinc/00/61/79/805006179.db2.gz ZFRVCARIEOUXMQ-UHFFFAOYSA-N -1 0 310.335 -0.032 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000811154993 805006220 /nfs/dbraw/zinc/00/62/20/805006220.db2.gz DYZGKEKVXHCODA-NXEZZACHSA-N -1 0 318.395 -0.097 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)COCc2ccnn2C)CC1 ZINC000811157394 805006319 /nfs/dbraw/zinc/00/63/19/805006319.db2.gz QCJDMCGHHIAQNO-UHFFFAOYSA-N -1 0 317.367 -0.438 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000811154996 805006549 /nfs/dbraw/zinc/00/65/49/805006549.db2.gz DYZGKEKVXHCODA-ZJUUUORDSA-N -1 0 318.395 -0.097 20 0 DBADRM Cn1nnc(Br)c1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000811449566 805009998 /nfs/dbraw/zinc/00/99/98/805009998.db2.gz DSSRFUAMHVNONH-UHFFFAOYSA-N -1 0 303.076 -0.242 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000811561616 805011567 /nfs/dbraw/zinc/01/15/67/805011567.db2.gz WLVSMXNIKIVHMS-JTQLQIEISA-N -1 0 322.383 -0.199 20 0 DBADRM COC(=O)CCCO[N-]C(=O)CS(=O)(=O)NC(C)(C)C ZINC000811558876 805011636 /nfs/dbraw/zinc/01/16/36/805011636.db2.gz SGRBEFPVBYOPPE-UHFFFAOYSA-N -1 0 310.372 -0.295 20 0 DBADRM COCC[C@H]1COCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000812742916 805020906 /nfs/dbraw/zinc/02/09/06/805020906.db2.gz OWRKAOWNEJGZHU-JTQLQIEISA-N -1 0 321.337 -0.665 20 0 DBADRM Cn1c2ncn(CC(=O)[N-]OC3CCC3)c2c(=O)n(C)c1=O ZINC000812789996 805021973 /nfs/dbraw/zinc/02/19/73/805021973.db2.gz HENVETOUFAGSEY-UHFFFAOYSA-N -1 0 307.310 -0.966 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ncn(C(C)(C)C)n2)cn1 ZINC000813058194 805025459 /nfs/dbraw/zinc/02/54/59/805025459.db2.gz UJVHKMURMPJTOH-UHFFFAOYSA-N -1 0 312.355 -0.115 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C[C@@H]2C=CCC2)CC1 ZINC000813943852 805035583 /nfs/dbraw/zinc/03/55/83/805035583.db2.gz HEGOCXYEZXVFTG-GFCCVEGCSA-N -1 0 315.395 -0.132 20 0 DBADRM CSCCC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813946870 805035644 /nfs/dbraw/zinc/03/56/44/805035644.db2.gz PTUMPQZKECCSOZ-UHFFFAOYSA-N -1 0 309.413 -0.735 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cc2ccco2)CC1 ZINC000813946871 805035896 /nfs/dbraw/zinc/03/58/96/805035896.db2.gz PVAOXACXFSZZSG-UHFFFAOYSA-N -1 0 315.351 -0.653 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H](F)C(C)C)CC1 ZINC000813949763 805036399 /nfs/dbraw/zinc/03/63/99/805036399.db2.gz CLAVXCSNZCWMHD-SNVBAGLBSA-N -1 0 309.363 -0.494 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CC=CCC2)CC1 ZINC000813948416 805036657 /nfs/dbraw/zinc/03/66/57/805036657.db2.gz HTJKIHSKSKBKQV-LBPRGKRZSA-N -1 0 315.395 -0.132 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cccnc2)CC1 ZINC000813948774 805036974 /nfs/dbraw/zinc/03/69/74/805036974.db2.gz KTUFXXCOSVIYBD-UHFFFAOYSA-N -1 0 312.351 -0.780 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@]2(C)CCCO2)CC1 ZINC000813947361 805037054 /nfs/dbraw/zinc/03/70/54/805037054.db2.gz GOZAENQIECUSPL-LBPRGKRZSA-N -1 0 319.383 -0.919 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CC2(C)CC2)CC1 ZINC000813948446 805037092 /nfs/dbraw/zinc/03/70/92/805037092.db2.gz FXKPFUYSJXHHIV-UHFFFAOYSA-N -1 0 303.384 -0.298 20 0 DBADRM CSC1(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000813948600 805037182 /nfs/dbraw/zinc/03/71/82/805037182.db2.gz JSABPEODFGUFKR-UHFFFAOYSA-N -1 0 321.424 -0.593 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C2(CCF)CC2)CC1 ZINC000813950925 805037469 /nfs/dbraw/zinc/03/74/69/805037469.db2.gz MBGOXMLAHBSOHG-UHFFFAOYSA-N -1 0 321.374 -0.349 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2cnn3cccnc23)cnn1C ZINC000813951499 805037809 /nfs/dbraw/zinc/03/78/09/805037809.db2.gz KLMDYJRJQAUSKH-UHFFFAOYSA-N -1 0 320.334 -0.110 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2cnc3n[nH]nc3c2)cnn1C ZINC000813956461 805037820 /nfs/dbraw/zinc/03/78/20/805037820.db2.gz MFJMGIZEOSIEFU-UHFFFAOYSA-N -1 0 321.322 -0.486 20 0 DBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000813985498 805037924 /nfs/dbraw/zinc/03/79/24/805037924.db2.gz CPEXOPDXKUNCAY-UHFFFAOYSA-N -1 0 305.356 -0.413 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)Cn1ccccc1=O ZINC000813986984 805038394 /nfs/dbraw/zinc/03/83/94/805038394.db2.gz XPQOXQIBLDVCOQ-UHFFFAOYSA-N -1 0 310.335 -0.605 20 0 DBADRM O=C(C[C@@H]1CCCS(=O)(=O)C1)[N-]S(=O)(=O)N1CCCC1 ZINC000815919485 805061174 /nfs/dbraw/zinc/06/11/74/805061174.db2.gz AWZOOADTGQBONZ-JTQLQIEISA-N -1 0 324.424 -0.342 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000815926450 805061433 /nfs/dbraw/zinc/06/14/33/805061433.db2.gz PONWCFQVFUJBJV-SNVBAGLBSA-N -1 0 316.383 -0.243 20 0 DBADRM CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000815962852 805062227 /nfs/dbraw/zinc/06/22/27/805062227.db2.gz DITJXXNUZFIODW-WDEREUQCSA-N -1 0 306.384 -0.115 20 0 DBADRM CO[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000815962859 805062975 /nfs/dbraw/zinc/06/29/75/805062975.db2.gz DPXMUFBNBPRBJQ-GHMZBOCLSA-N -1 0 306.384 -0.115 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cc1cn(C)nc1Cl ZINC000815978922 805063611 /nfs/dbraw/zinc/06/36/11/805063611.db2.gz LFWNGHKNHKHLIF-UHFFFAOYSA-N -1 0 324.790 -0.445 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnccn2)n1C ZINC000815980511 805063909 /nfs/dbraw/zinc/06/39/09/805063909.db2.gz OGBZUEHFKNYIRQ-UHFFFAOYSA-N -1 0 324.318 -0.280 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC)n1 ZINC000816025429 805064071 /nfs/dbraw/zinc/06/40/71/805064071.db2.gz VEOCVZGGKOPJBX-SFYZADRCSA-N -1 0 318.355 -0.445 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)CN1CCCCC1=O ZINC000816021920 805064355 /nfs/dbraw/zinc/06/43/55/805064355.db2.gz DXGVVDHZKPIPIR-UHFFFAOYSA-N -1 0 306.384 -0.129 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1cn(C)nc1Cl ZINC000816015432 805064571 /nfs/dbraw/zinc/06/45/71/805064571.db2.gz JRKDRUPVHLWTAE-ZCFIWIBFSA-N -1 0 323.758 -0.377 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)c2ccc(OC)nc2)n1 ZINC000816046815 805065171 /nfs/dbraw/zinc/06/51/71/805065171.db2.gz LYKKGXNAIOFHLR-UHFFFAOYSA-N -1 0 311.323 -0.180 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2c(C)onc2N)n1 ZINC000816069527 805065560 /nfs/dbraw/zinc/06/55/60/805065560.db2.gz MRHULRIKDFYKLK-UHFFFAOYSA-N -1 0 314.327 -0.396 20 0 DBADRM CC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816202594 805066241 /nfs/dbraw/zinc/06/62/41/805066241.db2.gz ZCXQMFPIKGQAQM-MRVPVSSYSA-N -1 0 303.340 -0.105 20 0 DBADRM CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816203961 805066697 /nfs/dbraw/zinc/06/66/97/805066697.db2.gz LPRUNZYRZMULRZ-QMMMGPOBSA-N -1 0 303.340 -0.105 20 0 DBADRM CO[C@H]1CCC[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC000816448849 805070088 /nfs/dbraw/zinc/07/00/88/805070088.db2.gz LVFPBUMGGRPSLJ-ZJUUUORDSA-N -1 0 306.384 -0.226 20 0 DBADRM CO[C@@H]1CCCC[C@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000816450105 805071758 /nfs/dbraw/zinc/07/17/58/805071758.db2.gz NHHDVTRJAQCSRH-NXEZZACHSA-N -1 0 306.384 -0.226 20 0 DBADRM CN1C(=O)CN(C(=O)c2n[n-]c3ccccc3c2=O)CC1=O ZINC000816545554 805072315 /nfs/dbraw/zinc/07/23/15/805072315.db2.gz VWNOVYWZIUMNOW-UHFFFAOYSA-N -1 0 300.274 -0.224 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1COCCN1CC(F)(F)F ZINC000816731124 805078230 /nfs/dbraw/zinc/07/82/30/805078230.db2.gz BZNGUXNQZJEOMJ-RXMQYKEDSA-N -1 0 311.220 -0.978 20 0 DBADRM CC(=O)N(CCc1ccccc1)CC(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816732867 805079307 /nfs/dbraw/zinc/07/93/07/805079307.db2.gz YWBWVUQYAGGRJT-UHFFFAOYSA-N -1 0 319.321 -0.149 20 0 DBADRM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816732377 805079318 /nfs/dbraw/zinc/07/93/18/805079318.db2.gz DTQIUWAYUCLFRD-BQBZGAKWSA-N -1 0 315.355 -0.293 20 0 DBADRM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816732380 805079432 /nfs/dbraw/zinc/07/94/32/805079432.db2.gz DTQIUWAYUCLFRD-RQJHMYQMSA-N -1 0 315.355 -0.293 20 0 DBADRM Cc1ccc2ncc(C(=O)Nn3c(=O)[n-][nH]c3=O)c(=O)n2c1 ZINC000816733498 805079440 /nfs/dbraw/zinc/07/94/40/805079440.db2.gz ZCSFWUSBYSRZQF-UHFFFAOYSA-N -1 0 302.250 -0.610 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccccc1CN1CCOCC1 ZINC000816733156 805079697 /nfs/dbraw/zinc/07/96/97/805079697.db2.gz LMJSXNORVWENND-UHFFFAOYSA-N -1 0 319.321 -0.095 20 0 DBADRM Cc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1S(C)(=O)=O ZINC000816733605 805079884 /nfs/dbraw/zinc/07/98/84/805079884.db2.gz FAMPCLZIWLGTPR-UHFFFAOYSA-N -1 0 312.307 -0.215 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000816732428 805080120 /nfs/dbraw/zinc/08/01/20/805080120.db2.gz GLOVKOSPGMEOIL-UHFFFAOYSA-N -1 0 324.341 -0.313 20 0 DBADRM CCn1ncn([N-]C(=O)c2ccc(N3CCCC3)nn2)c1=O ZINC000816736139 805080590 /nfs/dbraw/zinc/08/05/90/805080590.db2.gz LEATVZLVFORZON-UHFFFAOYSA-N -1 0 303.326 -0.161 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000816734152 805081030 /nfs/dbraw/zinc/08/10/30/805081030.db2.gz BBIFXOFYPNRPQE-QMMMGPOBSA-N -1 0 307.266 -0.364 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CSCCS2)C1 ZINC000817110908 805090696 /nfs/dbraw/zinc/09/06/96/805090696.db2.gz PQHLKQYCLAEOSU-BDAKNGLRSA-N -1 0 318.420 -0.116 20 0 DBADRM Cn1cnc2c1c(=O)n(CC(=O)[N-]OCCC1CC1)c(=O)n2C ZINC000817442216 805094490 /nfs/dbraw/zinc/09/44/90/805094490.db2.gz YSTKZVRGHBAXKS-UHFFFAOYSA-N -1 0 321.337 -0.718 20 0 DBADRM CCNC(=O)[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)C ZINC000817852328 805102371 /nfs/dbraw/zinc/10/23/71/805102371.db2.gz QDZJPTUGZCBVLK-NSHDSACASA-N -1 0 320.353 -0.652 20 0 DBADRM CCCCCCNC(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000817874855 805102503 /nfs/dbraw/zinc/10/25/03/805102503.db2.gz QWJSZAZXRLCLEQ-LLVKDONJSA-N -1 0 320.411 -0.134 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H](COC)[C@H]1CCCOC1 ZINC000884448057 807049938 /nfs/dbraw/zinc/04/99/38/807049938.db2.gz QHMVVHXXOQYTKW-WDEREUQCSA-N -1 0 303.359 -0.205 20 0 DBADRM C[C@]1(F)CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000817908080 805103225 /nfs/dbraw/zinc/10/32/25/805103225.db2.gz NTNKWHLOMWJYKE-RNCFNFMXSA-N -1 0 302.302 -0.351 20 0 DBADRM CON(Cc1ccccc1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000817903249 805103520 /nfs/dbraw/zinc/10/35/20/805103520.db2.gz LGSHIWYEZLMZLM-LBPRGKRZSA-N -1 0 322.317 -0.111 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCO[C@@H](C(F)F)C1)C(=O)[O-] ZINC000817900397 805103564 /nfs/dbraw/zinc/10/35/64/805103564.db2.gz MQRJNECQVLRZMZ-HTQZYQBOSA-N -1 0 308.281 -0.342 20 0 DBADRM CN(OCc1ccccc1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000817903835 805103650 /nfs/dbraw/zinc/10/36/50/805103650.db2.gz VTHPITHQESDJSO-GFCCVEGCSA-N -1 0 322.317 -0.111 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(F)F)C2)C1 ZINC000817901706 805103736 /nfs/dbraw/zinc/10/37/36/805103736.db2.gz XCELVOWAVLATQY-IUCAKERBSA-N -1 0 320.292 -0.198 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000818137449 805108925 /nfs/dbraw/zinc/10/89/25/805108925.db2.gz UCCAUOVRBODERK-CYBMUJFWSA-N -1 0 314.345 -0.178 20 0 DBADRM C[C@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H]1C(=O)[O-] ZINC000818324835 805110755 /nfs/dbraw/zinc/11/07/55/805110755.db2.gz AJXXQDYYDRRPJE-GXSJLCMTSA-N -1 0 309.322 -0.362 20 0 DBADRM COCCS(=O)(=O)CC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000818326110 805110948 /nfs/dbraw/zinc/11/09/48/805110948.db2.gz PPYXBHPFJQZNFL-SNVBAGLBSA-N -1 0 309.384 -0.089 20 0 DBADRM CCOCCOCC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818317903 805110972 /nfs/dbraw/zinc/11/09/72/805110972.db2.gz NNBIOKVBIRFSPO-JTQLQIEISA-N -1 0 312.326 -0.197 20 0 DBADRM COc1ncc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)cn1 ZINC000818315718 805111264 /nfs/dbraw/zinc/11/12/64/805111264.db2.gz ADRLEHDRJYXBJO-VIFPVBQESA-N -1 0 318.293 -0.138 20 0 DBADRM Cc1cnn(CC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC000818315825 805111329 /nfs/dbraw/zinc/11/13/29/805111329.db2.gz JJRMYPUGRFTTMN-JTQLQIEISA-N -1 0 304.310 -0.045 20 0 DBADRM CCC(CC)(CNC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000818326124 805111458 /nfs/dbraw/zinc/11/14/58/805111458.db2.gz QEGIQOFQQONDQM-UHFFFAOYSA-N -1 0 311.338 -0.295 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCc2cc(F)ccc2C1 ZINC000884476323 807051259 /nfs/dbraw/zinc/05/12/59/807051259.db2.gz MGVABEMKYNVJCQ-UHFFFAOYSA-N -1 0 324.308 -0.072 20 0 DBADRM CN(CCc1cccs1)C(=O)C(=O)NCCOCC(=O)[O-] ZINC000884476173 807051312 /nfs/dbraw/zinc/05/13/12/807051312.db2.gz GJUGRARJIOOMLZ-UHFFFAOYSA-N -1 0 314.363 -0.034 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2F)CCO1 ZINC000884478414 807051516 /nfs/dbraw/zinc/05/15/16/807051516.db2.gz AQCZNMDEOANMJZ-AEJSXWLSSA-N -1 0 302.302 -0.305 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCCS2)CCO1 ZINC000884482150 807051764 /nfs/dbraw/zinc/05/17/64/807051764.db2.gz WWDRVVOUNIZTCX-VHSXEESVSA-N -1 0 316.379 -0.300 20 0 DBADRM CCN1CC[C@@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1=O ZINC000818657469 805116376 /nfs/dbraw/zinc/11/63/76/805116376.db2.gz GEZRURPKSARWPH-SECBINFHSA-N -1 0 313.354 -0.660 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC000818657724 805116792 /nfs/dbraw/zinc/11/67/92/805116792.db2.gz JGMHWJXZMNEXKZ-SECBINFHSA-N -1 0 309.326 -0.844 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)C1 ZINC000884478328 807052032 /nfs/dbraw/zinc/05/20/32/807052032.db2.gz XXVJFYNDQPIFOE-RJRAAQABSA-N -1 0 322.361 -0.151 20 0 DBADRM CC[C@H]1CN(C)CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000818977934 805118629 /nfs/dbraw/zinc/11/86/29/805118629.db2.gz OZYFYNWOVAFRJD-JTQLQIEISA-N -1 0 304.354 -0.376 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)cn1 ZINC000819094452 805121383 /nfs/dbraw/zinc/12/13/83/805121383.db2.gz KQNVARVCIDOMTK-NSHDSACASA-N -1 0 303.340 -0.326 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)cn1 ZINC000819102148 805122126 /nfs/dbraw/zinc/12/21/26/805122126.db2.gz FAXTZZYCZUINOF-WCBMZHEXSA-N -1 0 303.340 -0.422 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC(OC)(C(=O)[O-])CC1 ZINC000819099547 805122218 /nfs/dbraw/zinc/12/22/18/805122218.db2.gz DGWAINBLZNTORU-SECBINFHSA-N -1 0 323.367 -0.309 20 0 DBADRM O=C([O-])C[C@@]1(NS(=O)(=O)C[C@@H]2CCOC2)CCCOC1 ZINC000819107898 805122225 /nfs/dbraw/zinc/12/22/25/805122225.db2.gz QNBPKMKNRHYNTK-PWSUYJOCSA-N -1 0 307.368 -0.034 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC(OC)(C(=O)[O-])CC1 ZINC000819097337 805122250 /nfs/dbraw/zinc/12/22/50/805122250.db2.gz UQHVRKONXSXEIE-UHFFFAOYSA-N -1 0 310.372 -0.625 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000819351545 805127169 /nfs/dbraw/zinc/12/71/69/805127169.db2.gz UPCJQSGTYYRNBB-JTQLQIEISA-N -1 0 309.322 -0.360 20 0 DBADRM C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H](O)C(F)(F)F ZINC000819565729 805130184 /nfs/dbraw/zinc/13/01/84/805130184.db2.gz KYFDNZKINWMAOL-XNCJUZBTSA-N -1 0 319.243 -0.501 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000819521535 805130311 /nfs/dbraw/zinc/13/03/11/805130311.db2.gz OIKIJKKAZBZQSS-UHFFFAOYSA-N -1 0 317.305 -0.340 20 0 DBADRM C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H](O)C(F)(F)F ZINC000819565728 805130379 /nfs/dbraw/zinc/13/03/79/805130379.db2.gz KYFDNZKINWMAOL-SVGQVSJJSA-N -1 0 319.243 -0.501 20 0 DBADRM CCn1nc(C)c(C[N-]S(=O)(=O)c2c(C)onc2N)n1 ZINC000819891202 805136753 /nfs/dbraw/zinc/13/67/53/805136753.db2.gz QLIFSRWFJWXSBZ-UHFFFAOYSA-N -1 0 300.344 -0.036 20 0 DBADRM COC(=O)CCCO[N-]C(=O)c1cnc2n(c1=O)CCS2 ZINC000819932629 805138054 /nfs/dbraw/zinc/13/80/54/805138054.db2.gz PYBGHVUCGHDSIS-UHFFFAOYSA-N -1 0 313.335 -0.036 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@@H](C)n1cccn1 ZINC000820606624 805160676 /nfs/dbraw/zinc/16/06/76/805160676.db2.gz RYLQMUNVWAKTLX-RKDXNWHRSA-N -1 0 303.340 -0.158 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@H](C)n1cccn1 ZINC000820606623 805160763 /nfs/dbraw/zinc/16/07/63/805160763.db2.gz RYLQMUNVWAKTLX-IUCAKERBSA-N -1 0 303.340 -0.158 20 0 DBADRM COc1ccc(NCC(=O)NCC(=O)[O-])cc1-n1nnnc1C ZINC000820846021 805168674 /nfs/dbraw/zinc/16/86/74/805168674.db2.gz MDDLVXLQPKFLPL-UHFFFAOYSA-N -1 0 320.309 -0.408 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000821131306 805174149 /nfs/dbraw/zinc/17/41/49/805174149.db2.gz XHOLULCRHAIAAT-VIFPVBQESA-N -1 0 307.306 -0.435 20 0 DBADRM O=C([O-])Cn1cc(COC(=O)CNC(=O)c2ccccc2)nn1 ZINC000821538322 805185182 /nfs/dbraw/zinc/18/51/82/805185182.db2.gz LXHOUSREODZDPO-UHFFFAOYSA-N -1 0 318.289 -0.164 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3n[nH]nc3c2)cn1 ZINC000821589749 805185195 /nfs/dbraw/zinc/18/51/95/805185195.db2.gz AOBWEFDHGYTKLI-UHFFFAOYSA-N -1 0 306.307 -0.190 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cnn2cccnc12 ZINC000821598440 805187174 /nfs/dbraw/zinc/18/71/74/805187174.db2.gz CSRUBXPVBLUDAJ-UHFFFAOYSA-N -1 0 312.307 -0.648 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000821741906 805189562 /nfs/dbraw/zinc/18/95/62/805189562.db2.gz UZAIRVCONLQBDQ-RDBSUJKOSA-N -1 0 316.398 -0.069 20 0 DBADRM CC(=O)N1CCc2cc(C(=O)NCC(=O)NCC(=O)[O-])ccc21 ZINC000821743447 805189604 /nfs/dbraw/zinc/18/96/04/805189604.db2.gz CJMMYXMXHJWPSI-UHFFFAOYSA-N -1 0 319.317 -0.474 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000821741905 805189719 /nfs/dbraw/zinc/18/97/19/805189719.db2.gz UZAIRVCONLQBDQ-HZSPNIEDSA-N -1 0 316.398 -0.069 20 0 DBADRM CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[N-]OCCO ZINC000822063124 805196517 /nfs/dbraw/zinc/19/65/17/805196517.db2.gz ZVOKJYJDKAYWJW-JTQLQIEISA-N -1 0 303.359 -0.422 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001289429972 805220453 /nfs/dbraw/zinc/22/04/53/805220453.db2.gz MNPBREHFELKGIT-GUBZILKMSA-N -1 0 311.338 -0.656 20 0 DBADRM CC(C)OCCO[N-]C(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC000823077136 805223799 /nfs/dbraw/zinc/22/37/99/805223799.db2.gz QSECVHHRHNVSIH-VXGBXAGGSA-N -1 0 310.354 -0.111 20 0 DBADRM CN(C)CCO[N-]C(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000823254794 805227938 /nfs/dbraw/zinc/22/79/38/805227938.db2.gz DECQCFSKIREEIF-HTQZYQBOSA-N -1 0 318.317 -0.181 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000823259650 805229129 /nfs/dbraw/zinc/22/91/29/805229129.db2.gz KYNNJWXDEVZSSP-ZETCQYMHSA-N -1 0 316.335 -0.279 20 0 DBADRM CC(C)=CC(=O)NC[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001290014054 805242384 /nfs/dbraw/zinc/24/23/84/805242384.db2.gz STAMEWUEBSUDSL-AOOOYVTPSA-N -1 0 323.353 -0.334 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC000823926452 805245598 /nfs/dbraw/zinc/24/55/98/805245598.db2.gz OPPFADWBPXCNGD-QWHCGFSZSA-N -1 0 311.382 -0.017 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000824960580 805270245 /nfs/dbraw/zinc/27/02/45/805270245.db2.gz SOJLPWAMBOVUPS-SSDOTTSWSA-N -1 0 300.315 -0.569 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)Cc1noc(C)c1-c1nn[nH]n1 ZINC000825486770 805280767 /nfs/dbraw/zinc/28/07/67/805280767.db2.gz YJBUYNVNKJIAEF-LURJTMIESA-N -1 0 308.298 -0.227 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCn2ccnc2)c1=O ZINC000825796780 805286092 /nfs/dbraw/zinc/28/60/92/805286092.db2.gz NPGUTCLNPNWUTA-UHFFFAOYSA-N -1 0 302.298 -0.893 20 0 DBADRM C[C@H]1CN(C(=O)COC(=O)[C@H]2COCCN2C(=O)[O-])CCO1 ZINC000825988982 805288902 /nfs/dbraw/zinc/28/89/02/805288902.db2.gz RAYVXKIXIJXKJI-VHSXEESVSA-N -1 0 316.310 -0.844 20 0 DBADRM CO[C@@H]1CCC[C@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000826146168 805300331 /nfs/dbraw/zinc/30/03/31/805300331.db2.gz RGNNEYQSAQPVGV-DTWKUNHWSA-N -1 0 306.330 -0.611 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2cn(C)nc2C)c1[O-] ZINC001292588583 805300915 /nfs/dbraw/zinc/30/09/15/805300915.db2.gz WDKCMXUFKCRQGH-UHFFFAOYSA-N -1 0 306.326 -0.375 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCCCCCO)n(C)c1=O ZINC000826356102 805307244 /nfs/dbraw/zinc/30/72/44/805307244.db2.gz ZZZSFVCIODBTDB-UHFFFAOYSA-N -1 0 323.357 -0.771 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCOCC2(CC2)C1 ZINC000826425357 805309459 /nfs/dbraw/zinc/30/94/59/805309459.db2.gz ZOXFZHLSUMSOSH-UHFFFAOYSA-N -1 0 304.314 -0.903 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826449712 805309530 /nfs/dbraw/zinc/30/95/30/805309530.db2.gz GSBIPOFPUVOKMC-UHFFFAOYSA-N -1 0 311.327 -0.735 20 0 DBADRM O=C([N-]S(=O)(=O)c1cccnc1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826450483 805310077 /nfs/dbraw/zinc/31/00/77/805310077.db2.gz OISJWPSKLUWIOL-UHFFFAOYSA-N -1 0 319.306 -0.292 20 0 DBADRM COc1cccnc1C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001292644348 805311845 /nfs/dbraw/zinc/31/18/45/805311845.db2.gz NORNXSVNHFUADN-UHFFFAOYSA-N -1 0 319.321 -0.013 20 0 DBADRM CCc1nc[nH]c1C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001292645127 805313089 /nfs/dbraw/zinc/31/30/89/805313089.db2.gz UQIVRAXHWPNCOS-UHFFFAOYSA-N -1 0 306.326 -0.131 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(C)C[C@H]2CO)cc1=O ZINC000826702253 805318709 /nfs/dbraw/zinc/31/87/09/805318709.db2.gz GEFDXHQYEVSZDM-ZDUSSCGKSA-N -1 0 310.398 -0.490 20 0 DBADRM CC[S@](=O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000827120923 805329713 /nfs/dbraw/zinc/32/97/13/805329713.db2.gz WLWQVQPDHVKCMK-IBGZPJMESA-N -1 0 320.392 -0.462 20 0 DBADRM O=C(NCCNC(=O)[C@H]1CC12CCC2)c1n[nH]c(=O)[n-]c1=O ZINC001292748165 805332930 /nfs/dbraw/zinc/33/29/30/805332930.db2.gz SSPHCAYKXHKNGM-SSDOTTSWSA-N -1 0 307.310 -0.681 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(C)[C@@H](CO)C2)cc1=O ZINC000827987818 805359097 /nfs/dbraw/zinc/35/90/97/805359097.db2.gz JCWWRGPVEIXTFC-CYBMUJFWSA-N -1 0 310.398 -0.490 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(C)[C@H](CO)C2)cc1=O ZINC000827987819 805359460 /nfs/dbraw/zinc/35/94/60/805359460.db2.gz JCWWRGPVEIXTFC-ZDUSSCGKSA-N -1 0 310.398 -0.490 20 0 DBADRM O=C(c1cnc2nccn2c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001292976095 805368134 /nfs/dbraw/zinc/36/81/34/805368134.db2.gz NMQXAAAKEGVVHY-SECBINFHSA-N -1 0 300.282 -0.544 20 0 DBADRM Cc1cnc2c(C(=O)N3CCO[C@H](c4nnn[n-]4)C3)cnn2c1 ZINC001292975597 805368644 /nfs/dbraw/zinc/36/86/44/805368644.db2.gz FCYFQDHZYLSYLZ-JTQLQIEISA-N -1 0 314.309 -0.235 20 0 DBADRM O=C(NCCNC(=O)[C@@]12C[C@@H]1CCCC2)c1n[nH]c(=O)[n-]c1=O ZINC001293013110 805373018 /nfs/dbraw/zinc/37/30/18/805373018.db2.gz NLBIHTJBGAMKQY-RTHLEPHNSA-N -1 0 321.337 -0.291 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCN1C ZINC000828773136 805384174 /nfs/dbraw/zinc/38/41/74/805384174.db2.gz AQBIUPQEGHVXFF-VIFPVBQESA-N -1 0 313.379 -0.184 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCN1C ZINC000828773135 805384602 /nfs/dbraw/zinc/38/46/02/805384602.db2.gz AQBIUPQEGHVXFF-SECBINFHSA-N -1 0 313.379 -0.184 20 0 DBADRM CS(=O)(=O)Cc1noc(CN2CCC[C@@H](NC(=O)[O-])C2)n1 ZINC000829679794 805399670 /nfs/dbraw/zinc/39/96/70/805399670.db2.gz SDGYWLSZUANUMY-MRVPVSSYSA-N -1 0 318.355 -0.154 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)CC2(O)CCC2)c1[O-] ZINC001293245312 805403441 /nfs/dbraw/zinc/40/34/41/805403441.db2.gz WQHWYIPKNUDASE-UHFFFAOYSA-N -1 0 310.354 -0.035 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001293311191 805412115 /nfs/dbraw/zinc/41/21/15/805412115.db2.gz AHRUMCZKHVTQLZ-RKDXNWHRSA-N -1 0 323.353 -0.045 20 0 DBADRM CC1(C(=O)NCCCNC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001293377146 805416805 /nfs/dbraw/zinc/41/68/05/805416805.db2.gz RJHUVJCVZKGPPA-UHFFFAOYSA-N -1 0 323.353 -0.362 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000830053782 805417657 /nfs/dbraw/zinc/41/76/57/805417657.db2.gz WSNYHCKNUCXWGY-JBLDHEPKSA-N -1 0 307.368 -0.226 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000830053718 805417691 /nfs/dbraw/zinc/41/76/91/805417691.db2.gz REOZVTVZTTYHNL-MEWQQHAOSA-N -1 0 319.379 -0.083 20 0 DBADRM C[C@H]1OCC[C@H]1S(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000830053715 805417776 /nfs/dbraw/zinc/41/77/76/805417776.db2.gz REOZVTVZTTYHNL-LSCVPOLPSA-N -1 0 319.379 -0.083 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC000830097356 805420490 /nfs/dbraw/zinc/42/04/90/805420490.db2.gz KIXZIYNGVAKKJW-JTQLQIEISA-N -1 0 304.328 -0.883 20 0 DBADRM CC(C)[C@@H](F)C(=O)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001293472341 805425410 /nfs/dbraw/zinc/42/54/10/805425410.db2.gz GJFSOVMUSGLYQQ-SECBINFHSA-N -1 0 317.321 -0.694 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000830325543 805429916 /nfs/dbraw/zinc/42/99/16/805429916.db2.gz RVDJZEBXBYURMM-QWHCGFSZSA-N -1 0 324.381 -0.058 20 0 DBADRM C[C@](CO)(NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1CC1 ZINC000830384895 805432705 /nfs/dbraw/zinc/43/27/05/805432705.db2.gz FCAMJBGOXVZERT-CYBMUJFWSA-N -1 0 314.363 -0.070 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C[C@H]2CC(=O)N2)C1 ZINC000830794880 805440887 /nfs/dbraw/zinc/44/08/87/805440887.db2.gz DUWYWDVIZPEHEY-HQJQHLMTSA-N -1 0 307.272 -0.066 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)Cn2cncn2)C1 ZINC000830833964 805441250 /nfs/dbraw/zinc/44/12/50/805441250.db2.gz VBSLPCGHHHPPQK-JTQLQIEISA-N -1 0 305.260 -0.052 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000831016570 805444567 /nfs/dbraw/zinc/44/45/67/805444567.db2.gz QFKFQAHAAQDIKG-VHSXEESVSA-N -1 0 321.399 -0.322 20 0 DBADRM C[C@@H]1CCN(C(=O)NC[C@H]2CC(C(N)=O)=NO2)C[C@@H]1C(=O)[O-] ZINC000831038090 805444941 /nfs/dbraw/zinc/44/49/41/805444941.db2.gz CWWFUXKQYBSKFH-HLTSFMKQSA-N -1 0 312.326 -0.631 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@H](O)C1CCOCC1 ZINC000831622478 805459244 /nfs/dbraw/zinc/45/92/44/805459244.db2.gz VHLUMEDFAHDGPT-QWRGUYRKSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](O)C1CCOCC1 ZINC000831622482 805459472 /nfs/dbraw/zinc/45/94/72/805459472.db2.gz VILHQHAEKXFXEF-MXWKQRLJSA-N -1 0 302.327 -0.997 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NC[C@H](O)C1CCOCC1 ZINC000831622481 805460013 /nfs/dbraw/zinc/46/00/13/805460013.db2.gz VILHQHAEKXFXEF-DCAQKATOSA-N -1 0 302.327 -0.997 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000832757601 805490615 /nfs/dbraw/zinc/49/06/15/805490615.db2.gz IGKJXEYSIHBWGU-HNNXBMFYSA-N -1 0 321.377 -0.022 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000832766367 805490790 /nfs/dbraw/zinc/49/07/90/805490790.db2.gz GMUXQMLBIHSHEC-NSHDSACASA-N -1 0 314.386 -0.142 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(C)=O ZINC000832773722 805491294 /nfs/dbraw/zinc/49/12/94/805491294.db2.gz ZWPKRUBIZONTDX-CYBMUJFWSA-N -1 0 305.334 -0.246 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCn1c2ccccc2n(C)c1=O ZINC000832773348 805491468 /nfs/dbraw/zinc/49/14/68/805491468.db2.gz LBXNHHZIEVYOMH-UHFFFAOYSA-N -1 0 306.322 -0.476 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 ZINC000832776141 805491588 /nfs/dbraw/zinc/49/15/88/805491588.db2.gz HKRXXGFAWQPQHW-LBPRGKRZSA-N -1 0 307.306 -0.406 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cccc(CN2CCOCC2)c1 ZINC000832769271 805491781 /nfs/dbraw/zinc/49/17/81/805491781.db2.gz BPRKLQZXAIVZPF-UHFFFAOYSA-N -1 0 307.350 -0.074 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000832773584 805491789 /nfs/dbraw/zinc/49/17/89/805491789.db2.gz VKCNLTCKLOEULJ-JTQLQIEISA-N -1 0 321.333 -0.158 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000832773666 805491821 /nfs/dbraw/zinc/49/18/21/805491821.db2.gz YDYHEKSXOWJJEG-SNVBAGLBSA-N -1 0 321.333 -0.158 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000832767152 805491839 /nfs/dbraw/zinc/49/18/39/805491839.db2.gz WOJLAIPNVVCLCI-VIFPVBQESA-N -1 0 309.297 -0.028 20 0 DBADRM NC(=O)COc1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000833081561 805493770 /nfs/dbraw/zinc/49/37/70/805493770.db2.gz LGEWNTHNXAYPJG-UHFFFAOYSA-N -1 0 319.277 -0.521 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)Cn3cc(C(=O)[O-])nn3)CCO2)cn1 ZINC000833043308 805494300 /nfs/dbraw/zinc/49/43/00/805494300.db2.gz MENNXUNILDCRDG-NSHDSACASA-N -1 0 320.309 -0.690 20 0 DBADRM C[C@H](CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000833517466 805495153 /nfs/dbraw/zinc/49/51/53/805495153.db2.gz OTGOAVVIECGJHQ-HTQZYQBOSA-N -1 0 317.342 -0.408 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCO[C@@H]([C@H]3CCCO3)C2)C1 ZINC000834160088 805496143 /nfs/dbraw/zinc/49/61/43/805496143.db2.gz RVBGUVFOYHCLQW-IJLUTSLNSA-N -1 0 313.354 -0.308 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1nccc2[nH]ccc21 ZINC000834324696 805497329 /nfs/dbraw/zinc/49/73/29/805497329.db2.gz GEGCALJFKNSFSU-UHFFFAOYSA-N -1 0 310.335 -0.241 20 0 DBADRM C[C@@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@@H]1CCCO1 ZINC000834325047 805497444 /nfs/dbraw/zinc/49/74/44/805497444.db2.gz SSCJTPNKVYPLTA-UWVGGRQHSA-N -1 0 306.384 -0.226 20 0 DBADRM NC(=O)COCCNC(=O)c1nc[n-]c(=O)c1Br ZINC001294755844 805507361 /nfs/dbraw/zinc/50/73/61/805507361.db2.gz LUXDGYAOHQCPFW-UHFFFAOYSA-N -1 0 319.115 -0.824 20 0 DBADRM CC(C)(O)CO[N-]C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000834622325 805513284 /nfs/dbraw/zinc/51/32/84/805513284.db2.gz UESIYGPGFOJVDG-MNOVXSKESA-N -1 0 309.322 -0.224 20 0 DBADRM CC(C)(O)CO[N-]C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC000834628330 805513722 /nfs/dbraw/zinc/51/37/22/805513722.db2.gz GYMWRBQLIAEZPP-NSHDSACASA-N -1 0 314.313 -0.265 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1C[C@H]1c1cccnc1 ZINC000835184418 805519751 /nfs/dbraw/zinc/51/97/51/805519751.db2.gz FWNDNAMXMOINOJ-NWDGAFQWSA-N -1 0 311.363 -0.122 20 0 DBADRM CCc1csc(S(=O)(=O)[N-]C(=O)c2cn(C)nn2)n1 ZINC000835589227 805520580 /nfs/dbraw/zinc/52/05/80/805520580.db2.gz FECGYYGKKQHGQF-UHFFFAOYSA-N -1 0 301.353 -0.047 20 0 DBADRM COc1ccc(N2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)nc1 ZINC000837152902 805530653 /nfs/dbraw/zinc/53/06/53/805530653.db2.gz DYQHKFAMTBBNKB-UHFFFAOYSA-N -1 0 303.322 -0.385 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000836902987 805530729 /nfs/dbraw/zinc/53/07/29/805530729.db2.gz YFFYERAYOVTHKK-YGRLFVJLSA-N -1 0 313.354 -0.228 20 0 DBADRM CC[C@@H]1C[N@H+](CC)CCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC000836946879 805530981 /nfs/dbraw/zinc/53/09/81/805530981.db2.gz FDSDKZVWQWPPCU-GFCCVEGCSA-N -1 0 308.382 -0.131 20 0 DBADRM CC[C@H]1C[N@H+](CC)CCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC000836946902 805531447 /nfs/dbraw/zinc/53/14/47/805531447.db2.gz FDSDKZVWQWPPCU-LBPRGKRZSA-N -1 0 308.382 -0.131 20 0 DBADRM Cc1nn(C)c2ncc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])cc12 ZINC000837295656 805532480 /nfs/dbraw/zinc/53/24/80/805532480.db2.gz CBEABQYDMZDXFI-SECBINFHSA-N -1 0 316.314 -0.022 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000837287258 805532946 /nfs/dbraw/zinc/53/29/46/805532946.db2.gz WKPLORZEDQBJBB-NSHDSACASA-N -1 0 301.320 -0.048 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1OCCc2ccccc21 ZINC000838803411 805545557 /nfs/dbraw/zinc/54/55/57/805545557.db2.gz ZJZXLPIATUUSLO-LBPRGKRZSA-N -1 0 313.331 -0.081 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ncc(C)cc1OC ZINC000838800301 805545614 /nfs/dbraw/zinc/54/56/14/805545614.db2.gz XHBGWKDDKYBHDE-UHFFFAOYSA-N -1 0 302.308 -0.369 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1OCCc2ccccc21 ZINC000838803409 805545643 /nfs/dbraw/zinc/54/56/43/805545643.db2.gz ZJZXLPIATUUSLO-GFCCVEGCSA-N -1 0 313.331 -0.081 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C[C@@H]1CSCCS1 ZINC000838801793 805545711 /nfs/dbraw/zinc/54/57/11/805545711.db2.gz NJNJAUMEERQYSW-SSDOTTSWSA-N -1 0 313.422 -0.156 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC000838799944 805545769 /nfs/dbraw/zinc/54/57/69/805545769.db2.gz IOSVWNQWASJKQH-MRVPVSSYSA-N -1 0 322.383 -0.454 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cnn(CC(C)C)c1 ZINC000838801658 805546047 /nfs/dbraw/zinc/54/60/47/805546047.db2.gz NDEHXLMPNBYDRV-UHFFFAOYSA-N -1 0 303.340 -0.228 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)OC)C(=O)[N-]S(=O)(=O)CC(=O)OC ZINC000838796028 805546112 /nfs/dbraw/zinc/54/61/12/805546112.db2.gz GFENXQDNHTUMDZ-CBAPKCEASA-N -1 0 324.355 -0.624 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)COc1cc(F)cc(F)c1 ZINC000838796627 805546170 /nfs/dbraw/zinc/54/61/70/805546170.db2.gz JKIJQTWHNLQHIH-UHFFFAOYSA-N -1 0 323.273 -0.037 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]1CCCCO1 ZINC000838805759 805546672 /nfs/dbraw/zinc/54/66/72/805546672.db2.gz CFVDIBAFTCGQSA-NXEZZACHSA-N -1 0 323.367 -0.420 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)C(C)(C)C(=O)OCC ZINC000838844988 805546866 /nfs/dbraw/zinc/54/68/66/805546866.db2.gz FTTCPOXQSNPLIU-UHFFFAOYSA-N -1 0 309.340 -0.415 20 0 DBADRM CCOc1nc(C(=O)[N-]S(=O)(=O)c2cn(C)cn2)co1 ZINC000838991797 805547819 /nfs/dbraw/zinc/54/78/19/805547819.db2.gz VMPKZRKCYNHGEI-UHFFFAOYSA-N -1 0 300.296 -0.075 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@H]1COCCO1 ZINC000838889494 805547947 /nfs/dbraw/zinc/54/79/47/805547947.db2.gz NCEWRLQLKJJQBP-ZJUUUORDSA-N -1 0 323.367 -0.420 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1cnnn1C ZINC000838895269 805548096 /nfs/dbraw/zinc/54/80/96/805548096.db2.gz PHEHTLUNBLKYHV-VIFPVBQESA-N -1 0 318.355 -0.394 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]1CCCO1 ZINC000838849587 805548178 /nfs/dbraw/zinc/54/81/78/805548178.db2.gz AVBHVCOSAJSDKL-VHSXEESVSA-N -1 0 323.367 -0.420 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCn1cc(Cl)cn1 ZINC000838851207 805548360 /nfs/dbraw/zinc/54/83/60/805548360.db2.gz RYKUERIRUMHWNN-UHFFFAOYSA-N -1 0 323.758 -0.064 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)[N-]OC)ccc1F ZINC001324878429 807012993 /nfs/dbraw/zinc/01/29/93/807012993.db2.gz OHHSXJKSTGTZFR-UHFFFAOYSA-N -1 0 305.287 -0.650 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](CF)C1)C2 ZINC000883636225 807019210 /nfs/dbraw/zinc/01/92/10/807019210.db2.gz MSDQYUGWOIZXOZ-IMSIIYSGSA-N -1 0 314.313 -0.636 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCc2cccc(F)c2C1 ZINC000884474545 807050627 /nfs/dbraw/zinc/05/06/27/807050627.db2.gz DSFAIGMNPPMXCM-UHFFFAOYSA-N -1 0 324.308 -0.072 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])C[C@H](C)C1(F)F ZINC000884477542 807050649 /nfs/dbraw/zinc/05/06/49/807050649.db2.gz AFRNQRLJFSFKIN-DTORHVGOSA-N -1 0 322.308 -0.047 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C1 ZINC000884477572 807050928 /nfs/dbraw/zinc/05/09/28/807050928.db2.gz BBRRJRXKJAFBHR-MROSYCPSSA-N -1 0 322.361 -0.151 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)c2ccc3nncn3c2)n[n-]1 ZINC001325467103 807072218 /nfs/dbraw/zinc/07/22/18/807072218.db2.gz HDMAQDPJLQSFTB-UHFFFAOYSA-N -1 0 307.295 -0.497 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCNC(=O)c1cccs1 ZINC001325468583 807072796 /nfs/dbraw/zinc/07/27/96/807072796.db2.gz ITOVBBPYQRNGPI-UHFFFAOYSA-N -1 0 315.351 -0.712 20 0 DBADRM Cn1ncc2cc(S(=O)(=O)NCCc3nc(=O)o[n-]3)cnc21 ZINC001325506267 807077135 /nfs/dbraw/zinc/07/71/35/807077135.db2.gz MAPUFAMLTADXGZ-UHFFFAOYSA-N -1 0 324.322 -0.834 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)[N-]OC2CCCCC2)O1 ZINC001325547034 807079822 /nfs/dbraw/zinc/07/98/22/807079822.db2.gz MYRWOZAOSGSFTO-WDEREUQCSA-N -1 0 313.354 -0.484 20 0 DBADRM CCOC(=O)C[C@@H](C)CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001325642667 807087637 /nfs/dbraw/zinc/08/76/37/807087637.db2.gz QQATZUYNFOTISB-GHMZBOCLSA-N -1 0 316.354 -0.224 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCC1(F)F)[C@@H](C)O ZINC000885505179 807095911 /nfs/dbraw/zinc/09/59/11/807095911.db2.gz QRGCVFOTJVAJDU-PRJMDXOYSA-N -1 0 301.311 -0.127 20 0 DBADRM O=C(N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC=CC1 ZINC001325837791 807108571 /nfs/dbraw/zinc/10/85/71/807108571.db2.gz SEWDNIJEKVWPHQ-HNNXBMFYSA-N -1 0 321.381 -0.080 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([C@H]3CCCO3)C2)C1 ZINC000887052278 807146472 /nfs/dbraw/zinc/14/64/72/807146472.db2.gz QJCPJZUFPOXNAH-QJPTWQEYSA-N -1 0 310.350 -0.053 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC001326140026 807152527 /nfs/dbraw/zinc/15/25/27/807152527.db2.gz MLHXNKMVSXHXEX-SECBINFHSA-N -1 0 317.411 -0.087 20 0 DBADRM CCN(OC)C(=O)CNC(=O)C(=O)[N-]OC1CCCCC1 ZINC001326186557 807158179 /nfs/dbraw/zinc/15/81/79/807158179.db2.gz MBBSOELLVPGBIK-UHFFFAOYSA-N -1 0 301.343 -0.107 20 0 DBADRM Cc1cc(NC(=O)CN2CCN(C(=O)[C@H](C)C(=O)[O-])CC2)no1 ZINC001326203935 807160203 /nfs/dbraw/zinc/16/02/03/807160203.db2.gz LGJNEHMSBRFFAE-JTQLQIEISA-N -1 0 324.337 -0.214 20 0 DBADRM COCCNC(=O)CN1CCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC001326390271 807177201 /nfs/dbraw/zinc/17/72/01/807177201.db2.gz HISZNBZPWNLLKE-UHFFFAOYSA-N -1 0 315.370 -0.996 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC001326451065 807182798 /nfs/dbraw/zinc/18/27/98/807182798.db2.gz KWSMZARYEZLNAF-SECBINFHSA-N -1 0 301.343 -0.804 20 0 DBADRM Cn1c(=O)ccn(CC(=O)[N-]OCCOc2ccccc2)c1=O ZINC000889449572 807195364 /nfs/dbraw/zinc/19/53/64/807195364.db2.gz MRQPPJYECYZQBR-UHFFFAOYSA-N -1 0 319.317 -0.326 20 0 DBADRM COCCCS(=O)(=O)NCCN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001326582237 807195418 /nfs/dbraw/zinc/19/54/18/807195418.db2.gz UPWVPDBLOGDNHZ-GHMZBOCLSA-N -1 0 324.399 -0.884 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1scnc1C ZINC001326633773 807200320 /nfs/dbraw/zinc/20/03/20/807200320.db2.gz RLHIRVWMAXVYIK-UHFFFAOYSA-N -1 0 300.340 -0.748 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001326651588 807202187 /nfs/dbraw/zinc/20/21/87/807202187.db2.gz LHZUJIRVEPFBJG-UWVGGRQHSA-N -1 0 322.383 -0.990 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1c(C)noc1C ZINC001326746741 807209195 /nfs/dbraw/zinc/20/91/95/807209195.db2.gz OQZRDWVFSURALW-UHFFFAOYSA-N -1 0 312.326 -0.566 20 0 DBADRM C[C@H](CNC(=O)C(=O)NC[C@H](c1ccco1)N(C)C)C(=O)[O-] ZINC001326848205 807218450 /nfs/dbraw/zinc/21/84/50/807218450.db2.gz XTEJHXSHPDSQPU-NXEZZACHSA-N -1 0 311.338 -0.165 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001326876347 807220669 /nfs/dbraw/zinc/22/06/69/807220669.db2.gz CAMRVPROFDKKTN-UHFFFAOYSA-N -1 0 310.310 -0.340 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCCNc1ccccn1 ZINC001326952734 807226762 /nfs/dbraw/zinc/22/67/62/807226762.db2.gz POOANZFBXNJNCW-UHFFFAOYSA-N -1 0 323.353 -0.816 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H](COC)[C@@H]1CCCOC1 ZINC000898753010 807236524 /nfs/dbraw/zinc/23/65/24/807236524.db2.gz XBWJHRAAMHLJHQ-NEPJUHHUSA-N -1 0 318.370 -0.372 20 0 DBADRM COCCn1cc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)c(C)n1 ZINC000899034977 807243784 /nfs/dbraw/zinc/24/37/84/807243784.db2.gz HRCXQBXCXVILTF-SECBINFHSA-N -1 0 309.326 -0.235 20 0 DBADRM Cn1c([O-])ncc(C(=O)N2[C@@H]3CC[C@H]2CN(C)C(=O)C3)c1=O ZINC000899838363 807273173 /nfs/dbraw/zinc/27/31/73/807273173.db2.gz PRPDVLFLXPATDJ-BDAKNGLRSA-N -1 0 306.322 -0.679 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC001327428241 807281607 /nfs/dbraw/zinc/28/16/07/807281607.db2.gz SEUDPPCKNLPPDW-UHFFFAOYSA-N -1 0 319.339 -0.874 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NC2(CCO)CC2)n1 ZINC001327445087 807284009 /nfs/dbraw/zinc/28/40/09/807284009.db2.gz PYIHYNFNQFXSMV-UHFFFAOYSA-N -1 0 324.337 -0.328 20 0 DBADRM COC[C@@](C)(O)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001327480350 807289635 /nfs/dbraw/zinc/28/96/35/807289635.db2.gz PMBCRFKENJVTPH-ZDUSSCGKSA-N -1 0 311.294 -0.768 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)Cc1ccsc1 ZINC001327494207 807292555 /nfs/dbraw/zinc/29/25/55/807292555.db2.gz DPQUMJRWCJOUPQ-VIFPVBQESA-N -1 0 313.379 -0.021 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(C)c(C)n1 ZINC001327548431 807301590 /nfs/dbraw/zinc/30/15/90/807301590.db2.gz QKQNWWGPQIFIGZ-UHFFFAOYSA-N -1 0 308.338 -0.501 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@@H](C)c1ccncc1 ZINC001327571718 807305007 /nfs/dbraw/zinc/30/50/07/807305007.db2.gz PXHCVGMCNMPVCL-JTQLQIEISA-N -1 0 308.338 -0.215 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@H](C)c1ccncc1 ZINC001327571719 807305129 /nfs/dbraw/zinc/30/51/29/807305129.db2.gz PXHCVGMCNMPVCL-SNVBAGLBSA-N -1 0 308.338 -0.215 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCCN1CCS(=O)(=O)CC1 ZINC001327593461 807309793 /nfs/dbraw/zinc/30/97/93/807309793.db2.gz RXSIQPHHLSUMJQ-CYBMUJFWSA-N -1 0 318.395 -0.666 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCN1CCS(=O)(=O)CC1 ZINC001327593462 807310042 /nfs/dbraw/zinc/31/00/42/807310042.db2.gz RXSIQPHHLSUMJQ-ZDUSSCGKSA-N -1 0 318.395 -0.666 20 0 DBADRM C/C(=C\C(=O)N1CCO[C@H](c2nnn[n-]2)C1)CN1CCOCC1 ZINC000900626496 807315372 /nfs/dbraw/zinc/31/53/72/807315372.db2.gz RZLOOOBICVUNJV-OBIHZWKSSA-N -1 0 322.369 -0.622 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cccc(N2C(=O)CCC2=O)c1 ZINC001327641181 807317891 /nfs/dbraw/zinc/31/78/91/807317891.db2.gz ORPAJNQXAGKEIL-UHFFFAOYSA-N -1 0 300.278 -0.217 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](CC)[C@@H]1CCCCO1 ZINC001327756888 807333342 /nfs/dbraw/zinc/33/33/42/807333342.db2.gz BPZRBKBWXDYUMA-QWRGUYRKSA-N -1 0 315.370 -0.366 20 0 DBADRM CN1CCN(c2cc(N3CCOC[C@H]3C(=O)[O-])ncn2)CC1=O ZINC000900945752 807334254 /nfs/dbraw/zinc/33/42/54/807334254.db2.gz ODUKUEPWWMTEAD-JTQLQIEISA-N -1 0 321.337 -0.955 20 0 DBADRM O=C([O-])[C@H]1COCCN1c1cc(N2CCC[C@@H](CO)C2)ncn1 ZINC000900943258 807334791 /nfs/dbraw/zinc/33/47/91/807334791.db2.gz FCXAMFNBLFAGBN-VXGBXAGGSA-N -1 0 322.365 -0.025 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)cn1 ZINC001327787101 807337524 /nfs/dbraw/zinc/33/75/24/807337524.db2.gz LXZNWUONMXHPCF-UHFFFAOYSA-N -1 0 322.365 -0.208 20 0 DBADRM CC(C)(C)n1nccc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001327806447 807339801 /nfs/dbraw/zinc/33/98/01/807339801.db2.gz UJGMAGADKVIJIZ-ZDUSSCGKSA-N -1 0 312.326 -0.472 20 0 DBADRM CN[C@H](C(=O)[N-]S(=O)(=O)CC(F)(F)F)c1cnn(C)c1 ZINC000901031362 807342165 /nfs/dbraw/zinc/34/21/65/807342165.db2.gz XBEDRNJZLDOBFQ-ZETCQYMHSA-N -1 0 314.289 -0.311 20 0 DBADRM C[C@H](CN1CCCC1=O)NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001327912138 807354965 /nfs/dbraw/zinc/35/49/65/807354965.db2.gz ZTIMRPYOGKHXHS-SNVBAGLBSA-N -1 0 313.354 -0.660 20 0 DBADRM CN(Cc1cn(C)nn1)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001327932669 807357640 /nfs/dbraw/zinc/35/76/40/807357640.db2.gz MXKZLFKOLPTTRL-UHFFFAOYSA-N -1 0 323.353 -0.513 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2C(=O)CN(C3CCCC3)C2=O)C1=O ZINC001327952003 807361403 /nfs/dbraw/zinc/36/14/03/807361403.db2.gz PREUTOWGKUEFTI-SNVBAGLBSA-N -1 0 309.322 -0.121 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000901419500 807363927 /nfs/dbraw/zinc/36/39/27/807363927.db2.gz CKALGOVWWMSSCW-PHDIDXHHSA-N -1 0 303.258 -0.248 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000901419494 807364106 /nfs/dbraw/zinc/36/41/06/807364106.db2.gz CKALGOVWWMSSCW-NTSWFWBYSA-N -1 0 303.258 -0.248 20 0 DBADRM COCCOCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001327979837 807364226 /nfs/dbraw/zinc/36/42/26/807364226.db2.gz YUFGPOUCYFZBLW-SNVBAGLBSA-N -1 0 321.355 -0.872 20 0 DBADRM COc1ccc(COCC(=O)N2CCOC[C@H]2C(=O)[O-])cn1 ZINC000901573419 807364409 /nfs/dbraw/zinc/36/44/09/807364409.db2.gz XMKQGGFTNVOOQN-NSHDSACASA-N -1 0 310.306 -0.081 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)CCO1 ZINC000901446988 807364706 /nfs/dbraw/zinc/36/47/06/807364706.db2.gz HKVIYEKZVRFVGP-CSMHCCOUSA-N -1 0 324.255 -0.387 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)CCO1 ZINC000901446989 807364938 /nfs/dbraw/zinc/36/49/38/807364938.db2.gz HKVIYEKZVRFVGP-FXQIFTODSA-N -1 0 324.255 -0.387 20 0 DBADRM CON1CCC(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])CC1 ZINC000901491159 807365007 /nfs/dbraw/zinc/36/50/07/807365007.db2.gz SMFKYPHGZVGRJF-JTQLQIEISA-N -1 0 315.370 -0.302 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)C2(C(=O)[O-])CCSCC2)CCO1 ZINC000901623024 807365156 /nfs/dbraw/zinc/36/51/56/807365156.db2.gz KPTZTSPZIWOUIB-SECBINFHSA-N -1 0 316.379 -0.442 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)CN1CCCCS1(=O)=O)C1CC1 ZINC000901639472 807365440 /nfs/dbraw/zinc/36/54/40/807365440.db2.gz LBEBPVCZOSPLSU-SECBINFHSA-N -1 0 304.368 -0.124 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000901745829 807365864 /nfs/dbraw/zinc/36/58/64/807365864.db2.gz DYWXFDJQRYGDPR-NWDGAFQWSA-N -1 0 308.334 -0.098 20 0 DBADRM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H](OC)C(=O)[O-])CC2 ZINC000901804909 807366266 /nfs/dbraw/zinc/36/62/66/807366266.db2.gz HQXYBTXQLUQESC-AXFHLTTASA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC000901661402 807366305 /nfs/dbraw/zinc/36/63/05/807366305.db2.gz LFMAEZAUWZOOKM-GHMZBOCLSA-N -1 0 318.395 -0.019 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN3C(=O)NC[C@H]3C2)CCSCC1 ZINC000901849075 807366537 /nfs/dbraw/zinc/36/65/37/807366537.db2.gz OSJHNBSSICIWDX-VIFPVBQESA-N -1 0 313.379 -0.180 20 0 DBADRM CN1CCN(c2ncc(CN3CCOC[C@H]3C(=O)[O-])cn2)CC1 ZINC000901988096 807366674 /nfs/dbraw/zinc/36/66/74/807366674.db2.gz LNLYHMVZZGXURS-ZDUSSCGKSA-N -1 0 321.381 -0.486 20 0 DBADRM CCN(CC)C(=O)CN1CCN(C(=O)[C@H](OC)C(=O)[O-])CC1 ZINC000901958448 807367127 /nfs/dbraw/zinc/36/71/27/807367127.db2.gz JQOWHODNCDFKON-LBPRGKRZSA-N -1 0 315.370 -0.901 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1cnc3nccn3c1)C2 ZINC000902060810 807367853 /nfs/dbraw/zinc/36/78/53/807367853.db2.gz JUUDZLGVUJFVND-QMTHXVAHSA-N -1 0 302.290 -0.098 20 0 DBADRM CN1C(=O)CN(CC(=O)N2CCC(CCC(=O)[O-])CC2)C1=O ZINC000902055543 807368104 /nfs/dbraw/zinc/36/81/04/807368104.db2.gz CKKJFPFNKCLGKG-UHFFFAOYSA-N -1 0 311.338 -0.016 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CCN(S(=O)(=O)C2CC2)CC1)C1CC1 ZINC000902149773 807368837 /nfs/dbraw/zinc/36/88/37/807368837.db2.gz YLZUVUMRSRIWIG-NSHDSACASA-N -1 0 316.379 -0.266 20 0 DBADRM COC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)CSCC(=O)[O-] ZINC000902272779 807371109 /nfs/dbraw/zinc/37/11/09/807371109.db2.gz YSCPSNZALQXKPV-PRHODGIISA-N -1 0 305.352 -0.017 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC001328085535 807376308 /nfs/dbraw/zinc/37/63/08/807376308.db2.gz NLBGFXIAKVGLSK-UHFFFAOYSA-N -1 0 313.310 -0.525 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)n1 ZINC001328093114 807376317 /nfs/dbraw/zinc/37/63/17/807376317.db2.gz AGROPNMSCPVERQ-SNVBAGLBSA-N -1 0 311.342 -0.693 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1)C1CC1 ZINC000902628576 807378976 /nfs/dbraw/zinc/37/89/76/807378976.db2.gz YHMCYMAQRJNDDM-MXWKQRLJSA-N -1 0 301.364 -0.010 20 0 DBADRM O=C([O-])C1(C(=O)NCCN2CCNC2=O)CCSCC1 ZINC000902737806 807380324 /nfs/dbraw/zinc/38/03/24/807380324.db2.gz AMVUYCDVMLPOBN-UHFFFAOYSA-N -1 0 301.368 -0.274 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@]1(OC)CCSC1 ZINC000902722942 807380418 /nfs/dbraw/zinc/38/04/18/807380418.db2.gz KTBADBRLFQQXNS-GFCCVEGCSA-N -1 0 305.352 -0.015 20 0 DBADRM Cn1cnc2cccc(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)c21 ZINC000902770546 807380752 /nfs/dbraw/zinc/38/07/52/807380752.db2.gz PSKXILJEMRWTCO-UHFFFAOYSA-N -1 0 316.317 -0.058 20 0 DBADRM CN1CCCC[C@H](C(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1=O ZINC000902773324 807381515 /nfs/dbraw/zinc/38/15/15/807381515.db2.gz QNICYMJCYKCSRJ-JTQLQIEISA-N -1 0 311.338 -1.000 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ncc3c(F)cccn32)CC1 ZINC000902771857 807381963 /nfs/dbraw/zinc/38/19/63/807381963.db2.gz MCRDVGPXAHUDJE-UHFFFAOYSA-N -1 0 320.280 -0.158 20 0 DBADRM CC(C)Cn1cc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cn1 ZINC000902775066 807381973 /nfs/dbraw/zinc/38/19/73/807381973.db2.gz QAZDEJAFMJNXAA-UHFFFAOYSA-N -1 0 308.338 -0.092 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CCO1 ZINC000902998684 807384454 /nfs/dbraw/zinc/38/44/54/807384454.db2.gz GSBBSVPIICTVAP-IUCAKERBSA-N -1 0 310.347 -0.161 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1 ZINC000903017087 807385864 /nfs/dbraw/zinc/38/58/64/807385864.db2.gz PBAVCKQYOHRNBP-CYBMUJFWSA-N -1 0 314.363 -0.037 20 0 DBADRM CSC[C@@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC000903054728 807386705 /nfs/dbraw/zinc/38/67/05/807386705.db2.gz PEANFMFPADJPED-SECBINFHSA-N -1 0 312.413 -0.252 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC001328178899 807389421 /nfs/dbraw/zinc/38/94/21/807389421.db2.gz XTMBQFJECWDBQZ-BDAKNGLRSA-N -1 0 324.424 -0.521 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCc2ccc(O)cc21 ZINC001328213198 807394256 /nfs/dbraw/zinc/39/42/56/807394256.db2.gz MYOORVFEJPKKIB-LBPRGKRZSA-N -1 0 321.333 -0.320 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cn(CC2(CC)COC2)nn1 ZINC001328423963 807425180 /nfs/dbraw/zinc/42/51/80/807425180.db2.gz YOPMXZJPYYHVCA-UHFFFAOYSA-N -1 0 311.342 -0.498 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N(C)[C@@H]1CCOC1 ZINC000904936793 807427515 /nfs/dbraw/zinc/42/75/15/807427515.db2.gz RDQPFHPQGUQFIX-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCCOCC1 ZINC000904936824 807427576 /nfs/dbraw/zinc/42/75/76/807427576.db2.gz RLNFNYQTVBXUJC-UHFFFAOYSA-N -1 0 302.327 -0.815 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCC(F)CC1 ZINC000904944518 807429086 /nfs/dbraw/zinc/42/90/86/807429086.db2.gz YKNXVHCLTSMTNS-UHFFFAOYSA-N -1 0 304.318 -0.103 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC001328533068 807438514 /nfs/dbraw/zinc/43/85/14/807438514.db2.gz XHXYSHQRELIDQD-ZETCQYMHSA-N -1 0 307.297 -0.422 20 0 DBADRM COCCn1cc(CNC(=O)c2c[n-]n3c2nccc3=O)cn1 ZINC001328569714 807443887 /nfs/dbraw/zinc/44/38/87/807443887.db2.gz FANMUAUDMQROAS-UHFFFAOYSA-N -1 0 316.321 -0.205 20 0 DBADRM CN1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2F)CC1=O ZINC000905211507 807449208 /nfs/dbraw/zinc/44/92/08/807449208.db2.gz NNTWZRMMLDOKHD-UHFFFAOYSA-N -1 0 316.310 -0.013 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001328679842 807455291 /nfs/dbraw/zinc/45/52/91/807455291.db2.gz RJQFWHIIPOCHCT-LLVKDONJSA-N -1 0 300.359 -0.436 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C1CCN(Cc2nccn2C)CC1 ZINC001328821404 807472357 /nfs/dbraw/zinc/47/23/57/807472357.db2.gz MVSSCBFWFYMSGU-UHFFFAOYSA-N -1 0 323.397 -0.184 20 0 DBADRM COC1CCN(S(=O)(=O)N[C@@H](CSC)C(=O)[O-])CC1 ZINC000906005436 807475628 /nfs/dbraw/zinc/47/56/28/807475628.db2.gz QJPLWCHWHXTEGI-VIFPVBQESA-N -1 0 312.413 -0.252 20 0 DBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)CCCC1CC1 ZINC000905985145 807475705 /nfs/dbraw/zinc/47/57/05/807475705.db2.gz DOAPOLMMSUDJNW-GFCCVEGCSA-N -1 0 320.411 -0.119 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1c2c(nn1C)CCSC2 ZINC000906289962 807481343 /nfs/dbraw/zinc/48/13/43/807481343.db2.gz HABJIWLMDPOZKH-UHFFFAOYSA-N -1 0 323.382 -0.484 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(OCC)cc1 ZINC001328886868 807483938 /nfs/dbraw/zinc/48/39/38/807483938.db2.gz VCSBAYRYOULWTG-UHFFFAOYSA-N -1 0 323.349 -0.115 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCC[C@H]1CCCCO1 ZINC001328942934 807491566 /nfs/dbraw/zinc/49/15/66/807491566.db2.gz JUHJUUYEGMXNON-LLVKDONJSA-N -1 0 315.370 -0.364 20 0 DBADRM Cn1cc(C(N)=O)c([N-]S(=O)(=O)CCOCC2CC2)n1 ZINC001329037205 807509048 /nfs/dbraw/zinc/50/90/48/807509048.db2.gz SJIADZZOGZVNGV-UHFFFAOYSA-N -1 0 302.356 -0.313 20 0 DBADRM CN(C[C@@H]1COCCO1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000907039232 807509249 /nfs/dbraw/zinc/50/92/49/807509249.db2.gz BXVAIKJGNQWVGV-SECBINFHSA-N -1 0 318.351 -0.241 20 0 DBADRM Cn1cccc(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])c1=O ZINC001329126317 807526335 /nfs/dbraw/zinc/52/63/35/807526335.db2.gz NEHLQPGHHQWPGY-UHFFFAOYSA-N -1 0 309.322 -0.059 20 0 DBADRM CCN1C[C@@H](C(=O)N2CCSC[C@@H]2c2nnn[n-]2)CC1=O ZINC000907477077 807531035 /nfs/dbraw/zinc/53/10/35/807531035.db2.gz PNJOVVATHLCQEW-DTWKUNHWSA-N -1 0 310.383 -0.315 20 0 DBADRM C=CC(=O)N(CC)CC(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907480389 807531479 /nfs/dbraw/zinc/53/14/79/807531479.db2.gz OVFHJMIRBKJOLT-SECBINFHSA-N -1 0 310.383 -0.149 20 0 DBADRM O=C(/C=C/CN1CCOCC1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907479791 807531566 /nfs/dbraw/zinc/53/15/66/807531566.db2.gz IHKORRYTCUOVDZ-FMBMQGQPSA-N -1 0 324.410 -0.295 20 0 DBADRM CN1CCC[C@H](C(=O)N2CCSC[C@H]2c2nnn[n-]2)C1=O ZINC000907474932 807531952 /nfs/dbraw/zinc/53/19/52/807531952.db2.gz ICWZNPPPQFXQBS-IUCAKERBSA-N -1 0 310.383 -0.315 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCn3cnnc3C2)CC[C@@H]1C(=O)[O-] ZINC001329235703 807542497 /nfs/dbraw/zinc/54/24/97/807542497.db2.gz KDHFHZOHUWHGSV-ZJUUUORDSA-N -1 0 321.337 -0.811 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCn3cnnc3C2)CC[C@H]1C(=O)[O-] ZINC001329235693 807542515 /nfs/dbraw/zinc/54/25/15/807542515.db2.gz KDHFHZOHUWHGSV-NXEZZACHSA-N -1 0 321.337 -0.811 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCCOCC(=O)[O-] ZINC001329293627 807547437 /nfs/dbraw/zinc/54/74/37/807547437.db2.gz RWWIIWSXICUXCV-UHFFFAOYSA-N -1 0 308.294 -0.909 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC001329390702 807558555 /nfs/dbraw/zinc/55/85/55/807558555.db2.gz YGBNTCYAEUIIQL-UHFFFAOYSA-N -1 0 321.333 -0.127 20 0 DBADRM Cn1nccc1[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CCO1 ZINC000907873218 807558700 /nfs/dbraw/zinc/55/87/00/807558700.db2.gz ZQXQXFVUHYPOLY-QJPTWQEYSA-N -1 0 309.322 -0.048 20 0 DBADRM CS(=O)(=O)CCCCNC(=O)c1cnc(C(=O)[O-])cn1 ZINC001329410598 807561027 /nfs/dbraw/zinc/56/10/27/807561027.db2.gz MNTGXDHDGDOHPL-UHFFFAOYSA-N -1 0 301.324 -0.271 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC001329432915 807564672 /nfs/dbraw/zinc/56/46/72/807564672.db2.gz JAAKSEIFZYCGAB-WCBMZHEXSA-N -1 0 324.337 -0.394 20 0 DBADRM CCOCCOC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001329572173 807588090 /nfs/dbraw/zinc/58/80/90/807588090.db2.gz OHYUXYPFKWTRIP-UHFFFAOYSA-N -1 0 306.322 -0.100 20 0 DBADRM COC(=O)[C@@](C)(Cn1cccn1)[N-]S(=O)(=O)C1COC1 ZINC000908397418 807592150 /nfs/dbraw/zinc/59/21/50/807592150.db2.gz SZQSOTVPOBXBOI-LLVKDONJSA-N -1 0 303.340 -0.867 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000908763543 807602184 /nfs/dbraw/zinc/60/21/84/807602184.db2.gz QDPLOFFXEMFDOT-SNVBAGLBSA-N -1 0 306.384 -0.020 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000908763541 807602616 /nfs/dbraw/zinc/60/26/16/807602616.db2.gz QDPLOFFXEMFDOT-JTQLQIEISA-N -1 0 306.384 -0.020 20 0 DBADRM CCCN(C(=O)NC[C@@H]1COCCO1)[C@@H](COC)C(=O)[O-] ZINC000908689588 807602624 /nfs/dbraw/zinc/60/26/24/807602624.db2.gz URESHZWELMEQIA-MNOVXSKESA-N -1 0 304.343 -0.077 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N(CCC(=O)[O-])C1CC1 ZINC000908872134 807603658 /nfs/dbraw/zinc/60/36/58/807603658.db2.gz ZTDFEOCCHJGPIC-UHFFFAOYSA-N -1 0 307.372 -0.810 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000909737834 807617111 /nfs/dbraw/zinc/61/71/11/807617111.db2.gz LAQKJARXGJTQMR-SECBINFHSA-N -1 0 307.372 -0.810 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1CC2CC1(C(=O)[O-])C2 ZINC001329809254 807622230 /nfs/dbraw/zinc/62/22/30/807622230.db2.gz NFSZOBRSYJRVRS-UHFFFAOYSA-N -1 0 311.338 -0.906 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1cccc(C)n1 ZINC001329813350 807623291 /nfs/dbraw/zinc/62/32/91/807623291.db2.gz XUVJNCCNUITUFM-UHFFFAOYSA-N -1 0 308.338 -0.767 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)CCc1cccn1C ZINC001329827274 807625666 /nfs/dbraw/zinc/62/56/66/807625666.db2.gz OMRSJCDURJFWPY-LLVKDONJSA-N -1 0 324.381 -0.354 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1(CCOC)CC1 ZINC001329832670 807626536 /nfs/dbraw/zinc/62/65/36/807626536.db2.gz BNHPFRVFRSHPCL-UHFFFAOYSA-N -1 0 301.343 -0.897 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)CCc1nccs1 ZINC001329861971 807633031 /nfs/dbraw/zinc/63/30/31/807633031.db2.gz CLHGEPSZENISII-UHFFFAOYSA-N -1 0 314.367 -0.672 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001329866946 807634891 /nfs/dbraw/zinc/63/48/91/807634891.db2.gz LXUCXHUNPNDXIS-UHFFFAOYSA-N -1 0 301.221 -0.830 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000923079239 807647986 /nfs/dbraw/zinc/64/79/86/807647986.db2.gz PGZPAUCGOLROAI-IVZWLZJFSA-N -1 0 300.359 -0.297 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)OCC ZINC000923078588 807648357 /nfs/dbraw/zinc/64/83/57/807648357.db2.gz IMADJUHUDSKLRN-UMNHJUIQSA-N -1 0 313.354 -0.105 20 0 DBADRM COCCOCCN1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC001329963118 807649406 /nfs/dbraw/zinc/64/94/06/807649406.db2.gz LECHLTXUWFFVBW-CYBMUJFWSA-N -1 0 314.382 -0.096 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC001329964831 807650416 /nfs/dbraw/zinc/65/04/16/807650416.db2.gz XQRIJFGVYUOXSO-SNVBAGLBSA-N -1 0 322.364 -0.499 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])S1(=O)=O ZINC000923147967 807651279 /nfs/dbraw/zinc/65/12/79/807651279.db2.gz XQDCVJRCOHRRIG-PTRXPTGYSA-N -1 0 302.352 -0.514 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000923149661 807651314 /nfs/dbraw/zinc/65/13/14/807651314.db2.gz OMUFSGLEYMZFJV-SKDRFNHKSA-N -1 0 319.383 -0.810 20 0 DBADRM Cc1ccccc1OC[C@@H](O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000923250190 807656215 /nfs/dbraw/zinc/65/62/15/807656215.db2.gz IRIVRKBVPWWBNI-ZDUSSCGKSA-N -1 0 322.361 -0.036 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1c(C(F)(F)F)cnn1C ZINC000923394963 807663853 /nfs/dbraw/zinc/66/38/53/807663853.db2.gz OBNPLSVPEPPUBU-UHFFFAOYSA-N -1 0 309.248 -0.084 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(CO)CC2)CC[C@H]1C(=O)[O-] ZINC001330199258 807685061 /nfs/dbraw/zinc/68/50/61/807685061.db2.gz SJELNPPSYXFUPI-ZYHUDNBSSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC(CO)CC2)CC[C@H]1C(=O)[O-] ZINC001330199255 807685209 /nfs/dbraw/zinc/68/52/09/807685209.db2.gz SJELNPPSYXFUPI-CMPLNLGQSA-N -1 0 312.366 -0.214 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)C[C@H]2CC(=O)N2)s1 ZINC001330222547 807686693 /nfs/dbraw/zinc/68/66/93/807686693.db2.gz VXGZYPMUIQXGTP-SCSAIBSYSA-N -1 0 305.341 -0.873 20 0 DBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)[N-]OCC2CC2)cc1 ZINC001330398357 807707166 /nfs/dbraw/zinc/70/71/66/807707166.db2.gz WHHCIQLIFGUREP-UHFFFAOYSA-N -1 0 313.335 -0.270 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001330485937 807722211 /nfs/dbraw/zinc/72/22/11/807722211.db2.gz ARVQCIIEOGRSFP-JIMTYQMOSA-N -1 0 310.350 -0.390 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[C@H]1CCCS1 ZINC001330809458 807751669 /nfs/dbraw/zinc/75/16/69/807751669.db2.gz DRLZNUXAUDGLGK-SECBINFHSA-N -1 0 303.384 -0.428 20 0 DBADRM CCn1cnc2c1CCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)C2 ZINC000926275286 807756424 /nfs/dbraw/zinc/75/64/24/807756424.db2.gz AQVHRROJYCEUSQ-JTQLQIEISA-N -1 0 320.349 -0.279 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926342037 807761882 /nfs/dbraw/zinc/76/18/82/807761882.db2.gz IKGFUJYKWVHNMB-NWDGAFQWSA-N -1 0 312.366 -0.214 20 0 DBADRM CN(CC(C)(C)O)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926337027 807761922 /nfs/dbraw/zinc/76/19/22/807761922.db2.gz KETVOHYGZSVOLP-WDEREUQCSA-N -1 0 312.366 -0.215 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(C)C[C@@H](C)O)C1 ZINC000926406465 807769604 /nfs/dbraw/zinc/76/96/04/807769604.db2.gz CCSGCMHUVSRSAW-YGRLFVJLSA-N -1 0 300.355 -0.071 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000927210560 807783555 /nfs/dbraw/zinc/78/35/55/807783555.db2.gz GIJATVSBPWYMGE-QMMMGPOBSA-N -1 0 312.292 -0.058 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(Cc2cc(C)no2)CC1 ZINC000927204220 807783829 /nfs/dbraw/zinc/78/38/29/807783829.db2.gz JIELDENPGLGXSA-UHFFFAOYSA-N -1 0 311.342 -0.512 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@H](O)c1c(F)cccc1F ZINC000927211608 807784416 /nfs/dbraw/zinc/78/44/16/807784416.db2.gz OPYNQNJLTKHPMG-VIFPVBQESA-N -1 0 303.265 -0.025 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H](O)c1c(F)cccc1F ZINC000927211607 807784744 /nfs/dbraw/zinc/78/47/44/807784744.db2.gz OPYNQNJLTKHPMG-SECBINFHSA-N -1 0 303.265 -0.025 20 0 DBADRM CCNC(=O)C[C@@H]1CCCCN1C(=O)NCC(=O)[N-]OC ZINC000927216668 807785622 /nfs/dbraw/zinc/78/56/22/807785622.db2.gz ZLWPAAMIIRWVBN-JTQLQIEISA-N -1 0 300.359 -0.246 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000927214587 807785721 /nfs/dbraw/zinc/78/57/21/807785721.db2.gz OWXKNGWCFCZCOB-OUJBWJOFSA-N -1 0 301.343 -0.358 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000927216158 807785774 /nfs/dbraw/zinc/78/57/74/807785774.db2.gz PHEVIUMBIBMNNO-SECBINFHSA-N -1 0 301.347 -0.939 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@H](CCNC(C)=O)C1 ZINC000927214288 807786143 /nfs/dbraw/zinc/78/61/43/807786143.db2.gz ITLVDYHWGLJIEZ-LLVKDONJSA-N -1 0 300.359 -0.388 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(C)[C@H](c2nccn2C)C1 ZINC000927217940 807786539 /nfs/dbraw/zinc/78/65/39/807786539.db2.gz RLRMYMZWHUIHIR-JTQLQIEISA-N -1 0 310.358 -0.904 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@H](O)C(F)(F)C(F)(F)F ZINC000927219410 807786827 /nfs/dbraw/zinc/78/68/27/807786827.db2.gz FFLWMPNYSZCPSO-BYPYZUCNSA-N -1 0 309.191 -0.478 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC001331387503 807791152 /nfs/dbraw/zinc/79/11/52/807791152.db2.gz LZWFSKPQKRYFJV-LLVKDONJSA-N -1 0 313.354 -0.515 20 0 DBADRM CSCC1CCN(C(=O)C(=O)NCCOCC(=O)[O-])CC1 ZINC000927954213 807800999 /nfs/dbraw/zinc/80/09/99/807800999.db2.gz RCKZTWVLHTXTLK-UHFFFAOYSA-N -1 0 318.395 -0.195 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)C(C)C ZINC000927966076 807801149 /nfs/dbraw/zinc/80/11/49/807801149.db2.gz OCNJLDMWLMJNJI-GHMZBOCLSA-N -1 0 300.355 -0.046 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NC[C@]13C[C@H]1CCC3)C2 ZINC000927966865 807801167 /nfs/dbraw/zinc/80/11/67/807801167.db2.gz ZTFPQDXURHCOBL-NSLUBLRVSA-N -1 0 322.361 -0.148 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCOC(F)(F)C(F)(F)F ZINC001331638780 807805291 /nfs/dbraw/zinc/80/52/91/807805291.db2.gz HSXZRMXWGISQHP-UHFFFAOYSA-N -1 0 324.202 -0.032 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)NCCO[C@@H]1CCOC1 ZINC000929016703 807822819 /nfs/dbraw/zinc/82/28/19/807822819.db2.gz GYVATKFDVRXYLZ-GHMZBOCLSA-N -1 0 304.343 -0.077 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCCN2CCOCC2)cc1=O ZINC000929197477 807827523 /nfs/dbraw/zinc/82/75/23/807827523.db2.gz FXCSLSKXGQQVMG-UHFFFAOYSA-N -1 0 310.398 -0.177 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CCOCCO)CC[C@@H]1C(=O)[O-] ZINC001331845964 807842934 /nfs/dbraw/zinc/84/29/34/807842934.db2.gz AVDHHJOFDBBMGU-QWRGUYRKSA-N -1 0 316.354 -0.977 20 0 DBADRM CCc1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001038066772 815153071 /nfs/dbraw/zinc/15/30/71/815153071.db2.gz IQSZSGDRRQTZTC-SECBINFHSA-N -1 0 305.342 -0.200 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC001332183662 807881266 /nfs/dbraw/zinc/88/12/66/807881266.db2.gz WCYXHXBCZHLPAA-WHOHXGKFSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCCN2CCOCC2)O[C@H]1C(=O)[O-] ZINC001332204187 807884924 /nfs/dbraw/zinc/88/49/24/807884924.db2.gz PMVVCCTZBFLHGW-IJLUTSLNSA-N -1 0 300.355 -0.297 20 0 DBADRM C[C@H](NC(=O)C(=O)NCCCC(=O)[O-])c1nnc2ccccn21 ZINC001332391030 807910942 /nfs/dbraw/zinc/91/09/42/807910942.db2.gz LPHJJBFBDRLPJC-VIFPVBQESA-N -1 0 319.321 -0.113 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])C2)cn1 ZINC001332390053 807911155 /nfs/dbraw/zinc/91/11/55/807911155.db2.gz DDSCAWVXGRNNTQ-JTQLQIEISA-N -1 0 323.353 -0.904 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])C2)cn1 ZINC001332390054 807911253 /nfs/dbraw/zinc/91/12/53/807911253.db2.gz DDSCAWVXGRNNTQ-SNVBAGLBSA-N -1 0 323.353 -0.904 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC[C@H]1O ZINC001332446620 807920591 /nfs/dbraw/zinc/92/05/91/807920591.db2.gz LDPOLEBOFANYDY-GWNIPJSYSA-N -1 0 324.377 -0.215 20 0 DBADRM Cc1nnc(CN2CC[C@@H]2CNC(=O)c2[nH]nc(C)c2[O-])[nH]1 ZINC001038164097 815160690 /nfs/dbraw/zinc/16/06/90/815160690.db2.gz FKWMBUFMIPCAIJ-SECBINFHSA-N -1 0 305.342 -0.145 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCOC[C@H]1C[C@H]1CCOC1 ZINC000931679833 807934675 /nfs/dbraw/zinc/93/46/75/807934675.db2.gz ZJZOYQLEWSXENK-GHMZBOCLSA-N -1 0 310.358 -0.226 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000931820897 807936988 /nfs/dbraw/zinc/93/69/88/807936988.db2.gz OHGMJBJXCYORBV-WDEREUQCSA-N -1 0 317.411 -0.623 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2CCn2cncn2)c1[O-] ZINC001038166286 815160981 /nfs/dbraw/zinc/16/09/81/815160981.db2.gz YVLLRZGKDYZKLA-JTQLQIEISA-N -1 0 305.342 -0.480 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc(F)c1[O-] ZINC000931839680 807938077 /nfs/dbraw/zinc/93/80/77/807938077.db2.gz UARKKXMDOCRPCO-LLVKDONJSA-N -1 0 323.324 -0.002 20 0 DBADRM CNC(=O)C1(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001332590294 807945003 /nfs/dbraw/zinc/94/50/03/807945003.db2.gz CZJLFRAZLCBASF-QMMMGPOBSA-N -1 0 307.310 -0.724 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CSc2ccccc21 ZINC001332714695 807969762 /nfs/dbraw/zinc/96/97/62/807969762.db2.gz HQTZTPLSWONPQI-SECBINFHSA-N -1 0 309.347 -0.257 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000932731140 807977570 /nfs/dbraw/zinc/97/75/70/807977570.db2.gz HAJNTAYXGLQBEM-RTCCRHLQSA-N -1 0 316.354 -0.131 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CC[C@@H](SC)C1 ZINC001332789869 807978985 /nfs/dbraw/zinc/97/89/85/807978985.db2.gz NJMLCPDUIRRQNV-RKDXNWHRSA-N -1 0 303.384 -0.429 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@]1(C)CCCS1 ZINC001332789344 807979079 /nfs/dbraw/zinc/97/90/79/807979079.db2.gz JRFUSPLNUCENCZ-LBPRGKRZSA-N -1 0 303.384 -0.428 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@@H](OC(C)C)C1 ZINC001332814924 807982683 /nfs/dbraw/zinc/98/26/83/807982683.db2.gz MRDFIBYXUNFWMO-AOOOYVTPSA-N -1 0 301.343 -0.758 20 0 DBADRM CO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001332881949 807992317 /nfs/dbraw/zinc/99/23/17/807992317.db2.gz VDGIVNWONUYREZ-GRYCIOLGSA-N -1 0 310.350 -0.197 20 0 DBADRM C[C@H](NC(=O)CC(N)=O)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001332983775 808003246 /nfs/dbraw/zinc/00/32/46/808003246.db2.gz BVUUYOKGUUTEHI-QMMMGPOBSA-N -1 0 310.358 -0.898 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC001333111640 808016531 /nfs/dbraw/zinc/01/65/31/808016531.db2.gz VYIKPMAYVFHJBQ-QWRGUYRKSA-N -1 0 309.725 -0.399 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC001333177149 808024532 /nfs/dbraw/zinc/02/45/32/808024532.db2.gz RDFFTQJFAUZJLJ-CYZMBNFOSA-N -1 0 321.308 -0.626 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@H]1CC2(CO1)CCOCC2 ZINC001333219272 808030180 /nfs/dbraw/zinc/03/01/80/808030180.db2.gz CTGCIEDCGARFOY-LLVKDONJSA-N -1 0 316.354 -0.618 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@@H](CO)OC[C@H]2C)cc1=O ZINC000934877634 808030981 /nfs/dbraw/zinc/03/09/81/808030981.db2.gz RTEGZXKPMKNZKX-YPMHNXCESA-N -1 0 311.382 -0.017 20 0 DBADRM CCN1CCC[C@@H](NC(=O)C(=O)[N-]OC2CCOCC2)C1=O ZINC001333244995 808033667 /nfs/dbraw/zinc/03/36/67/808033667.db2.gz RKUJDDKMPZGJHJ-LLVKDONJSA-N -1 0 313.354 -0.660 20 0 DBADRM CCN1CCC[C@H](NC(=O)C(=O)[N-]OC2CCOCC2)C1=O ZINC001333244996 808033711 /nfs/dbraw/zinc/03/37/11/808033711.db2.gz RKUJDDKMPZGJHJ-NSHDSACASA-N -1 0 313.354 -0.660 20 0 DBADRM O=C(CO)N1CCN(C(=O)c2cc(F)cc(F)c2[O-])CC1 ZINC000935111254 808036269 /nfs/dbraw/zinc/03/62/69/808036269.db2.gz NVVJEWWJZCQRSP-UHFFFAOYSA-N -1 0 300.261 -0.053 20 0 DBADRM COCCN(C(=O)C(=O)NCC(=O)[N-]OC)C1CCCC1 ZINC001333295228 808040281 /nfs/dbraw/zinc/04/02/81/808040281.db2.gz FRIUVEVHFKULFY-UHFFFAOYSA-N -1 0 301.343 -0.802 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(OCCS(C)(=O)=O)cc1 ZINC001333322535 808044073 /nfs/dbraw/zinc/04/40/73/808044073.db2.gz YHDXRTUKXDJQAQ-UHFFFAOYSA-N -1 0 316.335 -0.274 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC(CSC)CC1 ZINC001333334212 808045138 /nfs/dbraw/zinc/04/51/38/808045138.db2.gz HRNNKYYHDASKOM-UHFFFAOYSA-N -1 0 303.384 -0.618 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)OC2(CCCC2)C1 ZINC001333333861 808045678 /nfs/dbraw/zinc/04/56/78/808045678.db2.gz GIYCUILJJRGZGJ-SNVBAGLBSA-N -1 0 313.354 -0.660 20 0 DBADRM CCOCCO[N-]C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000935455423 808046185 /nfs/dbraw/zinc/04/61/85/808046185.db2.gz RDLQEKUTUZUMNI-OLZOCXBDSA-N -1 0 302.371 -0.050 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H](C2CC2)O1 ZINC001333334955 808046111 /nfs/dbraw/zinc/04/61/11/808046111.db2.gz WWZXIRIYONXVRQ-KXGXSXBTSA-N -1 0 310.350 -0.008 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)CCOc1ccccc1 ZINC001333334805 808046342 /nfs/dbraw/zinc/04/63/42/808046342.db2.gz KNYOVTTWINFJJZ-UHFFFAOYSA-N -1 0 309.322 -0.682 20 0 DBADRM C/C(=C\C(=O)N1CCO[C@](C)(C(=O)[O-])C1)CN1CCOCC1 ZINC001333350513 808047172 /nfs/dbraw/zinc/04/71/72/808047172.db2.gz NKNOYBAJQRZVGM-RZXPCSSPSA-N -1 0 312.366 -0.033 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001333346164 808047380 /nfs/dbraw/zinc/04/73/80/808047380.db2.gz GOOKAMZADCBRPQ-USZNOCQGSA-N -1 0 310.350 -0.149 20 0 DBADRM COCCN1CN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)CC1=O ZINC000935857053 808059772 /nfs/dbraw/zinc/05/97/72/808059772.db2.gz NBHMRQHTJINPLU-UHFFFAOYSA-N -1 0 324.381 -0.350 20 0 DBADRM COC(=O)C1(NC(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC001333515325 808070949 /nfs/dbraw/zinc/07/09/49/808070949.db2.gz ALQMEWNYMGVEEH-UHFFFAOYSA-N -1 0 307.262 -0.460 20 0 DBADRM CCn1nc(C)c(C(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)C2)n1 ZINC000938238006 808087043 /nfs/dbraw/zinc/08/70/43/808087043.db2.gz CJLWTMFTJDZTKJ-VIFPVBQESA-N -1 0 318.341 -0.631 20 0 DBADRM O=C(CC1CCOCC1)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000938238052 808087060 /nfs/dbraw/zinc/08/70/60/808087060.db2.gz ORVRQMBWAJZWIF-NSHDSACASA-N -1 0 307.354 -0.048 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2cnn3cc[nH]c23)C1)c1cn[nH]n1 ZINC000938238488 808087637 /nfs/dbraw/zinc/08/76/37/808087637.db2.gz MOFZCCWXZWNQLC-QMMMGPOBSA-N -1 0 314.309 -0.575 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCN(C2CCC2)CC1 ZINC001333858177 808104693 /nfs/dbraw/zinc/10/46/93/808104693.db2.gz GFSMGSDLNQAPBQ-XYPYZODXSA-N -1 0 309.366 -0.338 20 0 DBADRM CC(=O)N[C@@H]1CCCCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000943019044 808107945 /nfs/dbraw/zinc/10/79/45/808107945.db2.gz MUYNLRLSJYWNLW-SNVBAGLBSA-N -1 0 323.353 -0.267 20 0 DBADRM Cc1cc(CCNC(=O)C(=O)[N-]OC[C@H]2CCOC2)nn1C ZINC001334483520 808169392 /nfs/dbraw/zinc/16/93/92/808169392.db2.gz JTADBIXUZDSGCU-NSHDSACASA-N -1 0 310.354 -0.528 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC001334489572 808170220 /nfs/dbraw/zinc/17/02/20/808170220.db2.gz YLXFJDZYBHUUKU-GXSJLCMTSA-N -1 0 310.358 -0.256 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC001334489574 808170258 /nfs/dbraw/zinc/17/02/58/808170258.db2.gz YLXFJDZYBHUUKU-KOLCDFICSA-N -1 0 310.358 -0.256 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2ccsc2[C@H]1C ZINC001334513444 808175083 /nfs/dbraw/zinc/17/50/83/808175083.db2.gz YOLXVJMXTGBFRD-MRVPVSSYSA-N -1 0 311.363 -0.012 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(Cl)cc1F ZINC001334552224 808177462 /nfs/dbraw/zinc/17/74/62/808177462.db2.gz VGFZBPSYZHXNMA-UHFFFAOYSA-N -1 0 317.704 -0.111 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H]([C@H]2CCCO2)C1 ZINC001334606929 808183477 /nfs/dbraw/zinc/18/34/77/808183477.db2.gz WGXKLHQWGGSEQY-WDEREUQCSA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2nnc[nH]2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947827957 808229809 /nfs/dbraw/zinc/22/98/09/808229809.db2.gz BUIHMGLSJLXWHU-YUMQZZPRSA-N -1 0 306.330 -0.589 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](OCC(C)C)C1 ZINC001335142795 808243296 /nfs/dbraw/zinc/24/32/96/808243296.db2.gz GIIRJALCODOMTD-SNVBAGLBSA-N -1 0 301.343 -0.946 20 0 DBADRM CC[C@@H]1COC(C)(C)CN1C(=O)C(=O)NCC(=O)[N-]OC ZINC001335143579 808243992 /nfs/dbraw/zinc/24/39/92/808243992.db2.gz IUFBZIJGDIXBFT-SECBINFHSA-N -1 0 301.343 -0.804 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1nc2c(s1)COCC2 ZINC001335159199 808245728 /nfs/dbraw/zinc/24/57/28/808245728.db2.gz KOGIPRIDTQUURC-UHFFFAOYSA-N -1 0 315.351 -0.474 20 0 DBADRM C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1NC(=O)c1cn[nH]n1 ZINC000948006875 808249351 /nfs/dbraw/zinc/24/93/51/808249351.db2.gz NBGXCVVUCOKWCT-VXNVDRBHSA-N -1 0 316.325 -0.933 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)NCCCn2cncn2)C1 ZINC001335215907 808255448 /nfs/dbraw/zinc/25/54/48/808255448.db2.gz HBPXRTSHFWXGDK-NSHDSACASA-N -1 0 323.353 -0.502 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCc2cn(C)cn2)CC[C@@H]1C(=O)[O-] ZINC001335215933 808255750 /nfs/dbraw/zinc/25/57/50/808255750.db2.gz HOMWKRJXKMNLAT-JQWIXIFHSA-N -1 0 322.365 -0.352 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)Cn2ccnc2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000948089589 808263603 /nfs/dbraw/zinc/26/36/03/808263603.db2.gz CXVFBFCORQNMLM-QWRGUYRKSA-N -1 0 319.369 -0.124 20 0 DBADRM CC[C@H]1CN(C(C)=O)CC[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000948175022 808269584 /nfs/dbraw/zinc/26/95/84/808269584.db2.gz BYWDEUZNXJPHHB-DTWKUNHWSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCCNC(=O)N(C)C)cc1=O ZINC001335273009 808270379 /nfs/dbraw/zinc/27/03/79/808270379.db2.gz OLTFTADFZLSPGR-UHFFFAOYSA-N -1 0 311.386 -0.238 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC001335378413 808283165 /nfs/dbraw/zinc/28/31/65/808283165.db2.gz FSMDDFUSXOMHIN-RYUDHWBXSA-N -1 0 311.382 -0.280 20 0 DBADRM CN(C(=O)c1cn[nH]n1)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948578933 808303312 /nfs/dbraw/zinc/30/33/12/808303312.db2.gz LJBBOIVPGXRJKP-VIFPVBQESA-N -1 0 320.357 -0.245 20 0 DBADRM CCC(=O)N1CCC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000948585572 808303501 /nfs/dbraw/zinc/30/35/01/808303501.db2.gz PTXOBZJOKHOSEZ-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM CC(C)C(=O)N1CCC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000948789171 808333051 /nfs/dbraw/zinc/33/30/51/808333051.db2.gz LPTYUOLVZJGPEE-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1ccon1)c1n[nH]c(=O)[n-]c1=O ZINC001038459814 815196717 /nfs/dbraw/zinc/19/67/17/815196717.db2.gz RMKVQZBJWXVHMF-MRVPVSSYSA-N -1 0 306.282 -0.725 20 0 DBADRM Cc1nocc1CN1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001038460116 815196826 /nfs/dbraw/zinc/19/68/26/815196826.db2.gz SCBQYCBDESJLIH-SECBINFHSA-N -1 0 320.309 -0.416 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001336098373 808342302 /nfs/dbraw/zinc/34/23/02/808342302.db2.gz ZIQGZJIFNHWHQX-LLVKDONJSA-N -1 0 310.358 -0.396 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC([C@H]2CCOC2)CC1 ZINC001336098374 808342413 /nfs/dbraw/zinc/34/24/13/808342413.db2.gz ZIQGZJIFNHWHQX-NSHDSACASA-N -1 0 310.358 -0.396 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2ccn[nH]2)c1[O-] ZINC000948896176 808353540 /nfs/dbraw/zinc/35/35/40/808353540.db2.gz CVNASNAIRMUPTQ-QMMMGPOBSA-N -1 0 304.310 -0.209 20 0 DBADRM CCN1CCC[C@H](NC(=O)C(=O)[N-]OCCSC)C1=O ZINC001336250477 808356593 /nfs/dbraw/zinc/35/65/93/808356593.db2.gz PUAVKSYMAIDGAD-VIFPVBQESA-N -1 0 303.384 -0.476 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCN(C)c2ccccc2C1 ZINC001336300806 808360218 /nfs/dbraw/zinc/36/02/18/808360218.db2.gz LNDRITKDBWAWBO-UHFFFAOYSA-N -1 0 320.349 -0.741 20 0 DBADRM CO[C@H]1CCC[C@@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948957330 808364990 /nfs/dbraw/zinc/36/49/90/808364990.db2.gz KABANKPQBADTAF-QWRGUYRKSA-N -1 0 309.370 -0.030 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001336414743 808371597 /nfs/dbraw/zinc/37/15/97/808371597.db2.gz PGANMWIXHGLKSW-LVEVGFFFSA-N -1 0 308.334 -0.398 20 0 DBADRM CCc1n[nH]cc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949053461 808383998 /nfs/dbraw/zinc/38/39/98/808383998.db2.gz SUHGDZCZVXQOGX-UHFFFAOYSA-N -1 0 305.342 -0.246 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)[N-]OCCN3CCCC3=O)C2)cn1 ZINC001336570272 808392418 /nfs/dbraw/zinc/39/24/18/808392418.db2.gz LQJAVJNVOQCFGX-LBPRGKRZSA-N -1 0 321.337 -0.417 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCOC2)C[C@H]1C1CC1 ZINC001336571870 808393155 /nfs/dbraw/zinc/39/31/55/808393155.db2.gz IMVYJNBSXFLVPF-ADEWGFFLSA-N -1 0 310.350 -0.292 20 0 DBADRM Cc1nocc1CN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000949111205 808395554 /nfs/dbraw/zinc/39/55/54/808395554.db2.gz IQACCKQBNSTCOR-UHFFFAOYSA-N -1 0 320.309 -0.463 20 0 DBADRM Cc1cc(CN2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)on1 ZINC000949111013 808396008 /nfs/dbraw/zinc/39/60/08/808396008.db2.gz CHMBATKKXMCMPG-UHFFFAOYSA-N -1 0 320.309 -0.463 20 0 DBADRM CCCCn1nccc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001337449426 808455470 /nfs/dbraw/zinc/45/54/70/808455470.db2.gz IMPCGNJNQCASHO-UHFFFAOYSA-N -1 0 307.314 -0.238 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2cnns2)c1[O-] ZINC000949426189 808458681 /nfs/dbraw/zinc/45/86/81/808458681.db2.gz NNTZCSUJKOWECU-SSDOTTSWSA-N -1 0 322.350 -0.080 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)CC(C)(C)O)c1[O-] ZINC000949424649 808458788 /nfs/dbraw/zinc/45/87/88/808458788.db2.gz BXYSFYSSEVBRAR-VIFPVBQESA-N -1 0 310.354 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2n[nH]cc2F)c1[O-] ZINC000949429527 808459713 /nfs/dbraw/zinc/45/97/13/808459713.db2.gz CQKNSQQMYWDKOW-SSDOTTSWSA-N -1 0 322.300 -0.070 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2cncn2C)c1[O-] ZINC000949429610 808460176 /nfs/dbraw/zinc/46/01/76/808460176.db2.gz FFEPSAQPODJRRN-VIFPVBQESA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)Cn2cccn2)c1[O-] ZINC000949427051 808460317 /nfs/dbraw/zinc/46/03/17/808460317.db2.gz USNDVSSZMAEYCZ-JTQLQIEISA-N -1 0 318.337 -0.349 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2ccn(C)n2)c1[O-] ZINC000949430756 808460351 /nfs/dbraw/zinc/46/03/51/808460351.db2.gz OIJWYOVPGYRJFP-SECBINFHSA-N -1 0 318.337 -0.198 20 0 DBADRM CCC(=O)N1CCC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000949573260 808489248 /nfs/dbraw/zinc/48/92/48/808489248.db2.gz VYDWUXMEGDPASQ-VIFPVBQESA-N -1 0 308.338 -0.383 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2cn(C)nn2)c1[O-] ZINC000949718043 808522800 /nfs/dbraw/zinc/52/28/00/808522800.db2.gz DXUGVPFBWNMURX-MRVPVSSYSA-N -1 0 319.325 -0.803 20 0 DBADRM CCN(C(=O)c1cc(C)n[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949726696 808527313 /nfs/dbraw/zinc/52/73/13/808527313.db2.gz JRYZUEWLOSCDTH-UHFFFAOYSA-N -1 0 305.342 -0.112 20 0 DBADRM COCCO[C@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001338554231 808553969 /nfs/dbraw/zinc/55/39/69/808553969.db2.gz DUMIGQWRWNCRFC-QMMMGPOBSA-N -1 0 302.356 -0.134 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN([C@H]2CCCNC2=O)C1 ZINC000949901273 808561461 /nfs/dbraw/zinc/56/14/61/808561461.db2.gz UHSOBYJGQKVSLQ-NSHDSACASA-N -1 0 321.381 -0.151 20 0 DBADRM CC(C)NC(=O)c1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1 ZINC001338723246 808564272 /nfs/dbraw/zinc/56/42/72/808564272.db2.gz DHPCEQHHRNRPLL-UHFFFAOYSA-N -1 0 322.321 -0.704 20 0 DBADRM Cn1cc(-c2cncc(C(=O)NN3CC(=O)NC3=O)c2)cn1 ZINC001338739419 808565551 /nfs/dbraw/zinc/56/55/51/808565551.db2.gz VLVUTRIFUAHYNR-UHFFFAOYSA-N -1 0 300.278 -0.321 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)C1CC1)c1c[n-]n2c1nccc2=O ZINC000950042246 808581064 /nfs/dbraw/zinc/58/10/64/808581064.db2.gz JARSEMYQGKXETF-SNVBAGLBSA-N -1 0 315.333 -0.237 20 0 DBADRM Cc1nn(C)cc1CCC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001339191746 808582139 /nfs/dbraw/zinc/58/21/39/808582139.db2.gz CVZSOPVXAUZDHW-UHFFFAOYSA-N -1 0 308.338 -0.583 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC001339263962 808585068 /nfs/dbraw/zinc/58/50/68/808585068.db2.gz GVRUQPPGEOEYHD-UHFFFAOYSA-N -1 0 306.200 -0.428 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCCO[C@H]1CCOC1)C2 ZINC001339804195 808604432 /nfs/dbraw/zinc/60/44/32/808604432.db2.gz RTHSJVKPIVRJJF-UHIISALHSA-N -1 0 314.338 -0.466 20 0 DBADRM CC[C@@H]1COCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001339948699 808610727 /nfs/dbraw/zinc/61/07/27/808610727.db2.gz XVOQXVNRBRJSER-LLVKDONJSA-N -1 0 304.343 -0.075 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCc1ccc(O)c(OC)c1 ZINC001340351692 808633899 /nfs/dbraw/zinc/63/38/99/808633899.db2.gz HTOUTJSBUPOGJN-UHFFFAOYSA-N -1 0 312.322 -0.246 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)NCC[C@@H]2CC2(F)F)CC1 ZINC001340567979 808643337 /nfs/dbraw/zinc/64/33/37/808643337.db2.gz XGRWRLUGHVQKSV-MRVPVSSYSA-N -1 0 305.281 -0.030 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H](C)c1nnc2ccccn21 ZINC001340563981 808643462 /nfs/dbraw/zinc/64/34/62/808643462.db2.gz NQRMENWFDKRNKI-SNVBAGLBSA-N -1 0 321.337 -0.009 20 0 DBADRM O=C([C@H]1CCCCC(=O)N1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000950441881 808647071 /nfs/dbraw/zinc/64/70/71/808647071.db2.gz UFFQIPUHKIMNAH-SNVBAGLBSA-N -1 0 322.369 -0.787 20 0 DBADRM Cc1c([C@H](C)NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cnn1C ZINC001340634562 808648852 /nfs/dbraw/zinc/64/88/52/808648852.db2.gz FOLYLITUEQOXMX-GXSJLCMTSA-N -1 0 310.354 -0.010 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)c1c(F)cccc1F ZINC001340923184 808664199 /nfs/dbraw/zinc/66/41/99/808664199.db2.gz ZKGMUZXHGYKKGB-SSDOTTSWSA-N -1 0 315.276 -0.064 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)c1c(F)cccc1F ZINC001340923185 808664519 /nfs/dbraw/zinc/66/45/19/808664519.db2.gz ZKGMUZXHGYKKGB-ZETCQYMHSA-N -1 0 315.276 -0.064 20 0 DBADRM O=C(CCn1cnc2ccccc2c1=O)NCc1nc(=O)o[n-]1 ZINC001341052025 808668328 /nfs/dbraw/zinc/66/83/28/808668328.db2.gz NDPLNHZSAJXCKQ-UHFFFAOYSA-N -1 0 315.289 -0.221 20 0 DBADRM C[C@@H]1CCC[C@H](CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)O1 ZINC001341435097 808685183 /nfs/dbraw/zinc/68/51/83/808685183.db2.gz ZCMNUEYEGZCABN-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CCN(C(=O)[C@@H]1CO[C@@H](C)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950666275 808691804 /nfs/dbraw/zinc/69/18/04/808691804.db2.gz FUARKRQQITXRDN-UWVGGRQHSA-N -1 0 309.370 -0.032 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(Cc1ccccc1)C1CC1 ZINC001342029701 808712638 /nfs/dbraw/zinc/71/26/38/808712638.db2.gz LQHJNTDCDHBJAX-UHFFFAOYSA-N -1 0 305.334 -0.029 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001342030279 808712656 /nfs/dbraw/zinc/71/26/56/808712656.db2.gz PUMZFZRQBFQKDC-GJMOJQLCSA-N -1 0 305.281 -0.670 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC001342212227 808720182 /nfs/dbraw/zinc/72/01/82/808720182.db2.gz KEHQYDCFMJJQSO-MWLCHTKSSA-N -1 0 308.338 -0.012 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC001342212229 808720481 /nfs/dbraw/zinc/72/04/81/808720481.db2.gz KEHQYDCFMJJQSO-ONGXEEELSA-N -1 0 308.338 -0.012 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)Nc1cccc2c1CNC2=O ZINC001342428968 808729982 /nfs/dbraw/zinc/72/99/82/808729982.db2.gz CYEUITSAQXKCDR-SECBINFHSA-N -1 0 319.317 -0.047 20 0 DBADRM CCN(C(=O)[C@H]1C[C@@H](C)CO1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950920429 808732832 /nfs/dbraw/zinc/73/28/32/808732832.db2.gz UOZXLTZNCOGABA-MWLCHTKSSA-N -1 0 309.370 -0.032 20 0 DBADRM COc1cncc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000951210650 808781029 /nfs/dbraw/zinc/78/10/29/808781029.db2.gz GJKAZYDLHNJOOQ-UHFFFAOYSA-N -1 0 319.325 -0.733 20 0 DBADRM CC1(C)C[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951298077 808794662 /nfs/dbraw/zinc/79/46/62/808794662.db2.gz PWWYBULHEROFFN-SFYZADRCSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(C=C1CCC1)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297951 808794710 /nfs/dbraw/zinc/79/47/10/808794710.db2.gz NAIZNKAJXDAGFD-SECBINFHSA-N -1 0 319.321 -0.276 20 0 DBADRM CC(C)=CC(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951296067 808794721 /nfs/dbraw/zinc/79/47/21/808794721.db2.gz OHJJPHHMMCMSTG-QMMMGPOBSA-N -1 0 307.310 -0.420 20 0 DBADRM CC(C)CC(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951296292 808794783 /nfs/dbraw/zinc/79/47/83/808794783.db2.gz SNLUBCPPJYYMGC-MRVPVSSYSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(C)CC(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951296293 808794972 /nfs/dbraw/zinc/79/49/72/808794972.db2.gz SNLUBCPPJYYMGC-QMMMGPOBSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951300618 808795413 /nfs/dbraw/zinc/79/54/13/808795413.db2.gz VEBKUQDMOKJFCB-FXQIFTODSA-N -1 0 307.310 -0.731 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)c1cc[nH]c1)c1n[nH]c(=O)[n-]c1=O ZINC000951300066 808795494 /nfs/dbraw/zinc/79/54/94/808795494.db2.gz INFBBNDGQXUNBC-QMMMGPOBSA-N -1 0 318.293 -0.745 20 0 DBADRM CCN(C(=O)[C@H]1CCC(=O)N1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000951361367 808805042 /nfs/dbraw/zinc/80/50/42/808805042.db2.gz BHFMOYUEKNJPPY-SNVBAGLBSA-N -1 0 322.369 -0.836 20 0 DBADRM CC(C)C(=O)N1CC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951450541 808820700 /nfs/dbraw/zinc/82/07/00/808820700.db2.gz CHBFYXHXLVUDGG-VIFPVBQESA-N -1 0 308.338 -0.527 20 0 DBADRM CC1(C(=O)N[C@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000951460765 808825008 /nfs/dbraw/zinc/82/50/08/808825008.db2.gz DGIQJAMBPGQBMU-QMMMGPOBSA-N -1 0 321.337 -0.196 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001038711349 815239057 /nfs/dbraw/zinc/23/90/57/815239057.db2.gz UJWXQIMPVJTRNO-UTLUCORTSA-N -1 0 322.369 -0.898 20 0 DBADRM CO[C@H](C)CN1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC000951550554 808842880 /nfs/dbraw/zinc/84/28/80/808842880.db2.gz RJNGLUMCNSPHBT-LLVKDONJSA-N -1 0 319.365 -0.185 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000951558576 808843582 /nfs/dbraw/zinc/84/35/82/808843582.db2.gz PSDYVOIIKBUNEJ-HRDYMLBCSA-N -1 0 321.337 -0.340 20 0 DBADRM COc1cncc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001038782079 815245596 /nfs/dbraw/zinc/24/55/96/815245596.db2.gz NEFUZNBJQNWWKD-MRVPVSSYSA-N -1 0 319.325 -0.687 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000952201893 808972597 /nfs/dbraw/zinc/97/25/97/808972597.db2.gz ADIFKNDQYLIDJW-KXUCPTDWSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2ccnnc2)c1[O-] ZINC000952239159 808975905 /nfs/dbraw/zinc/97/59/05/808975905.db2.gz GSDQLOCKLCIMSQ-SNVBAGLBSA-N -1 0 316.321 -0.142 20 0 DBADRM Cn1[nH]c(CN2CCN(C(=O)CCn3cccc3)CC2)nc1=O ZINC000952403267 808987825 /nfs/dbraw/zinc/98/78/25/808987825.db2.gz DEMCBJVCVMMPJG-UHFFFAOYSA-N -1 0 318.381 -0.356 20 0 DBADRM CC(=O)N1CCC[C@@]2(CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000952929713 809009978 /nfs/dbraw/zinc/00/99/78/809009978.db2.gz LRDVGYCAMLUCMP-CQSZACIVSA-N -1 0 323.353 -0.450 20 0 DBADRM CCC(=O)N1CC[C@@]2(CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000953013851 809013784 /nfs/dbraw/zinc/01/37/84/809013784.db2.gz HENROTYUXCBOFG-CQSZACIVSA-N -1 0 323.353 -0.450 20 0 DBADRM CC(=O)N1CC[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000953247409 809026381 /nfs/dbraw/zinc/02/63/81/809026381.db2.gz WWMZQMUMGISEFM-RKDXNWHRSA-N -1 0 307.310 -0.634 20 0 DBADRM CC(=O)N1CC[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]21 ZINC000953401952 809039205 /nfs/dbraw/zinc/03/92/05/809039205.db2.gz JSFBZQPWPHQMDN-JQWIXIFHSA-N -1 0 320.349 -0.431 20 0 DBADRM CN(C(=O)C1CCC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000953474065 809050190 /nfs/dbraw/zinc/05/01/90/809050190.db2.gz CRNXVJOHRWLQRS-UHFFFAOYSA-N -1 0 307.310 -0.634 20 0 DBADRM CN(C(=O)CC1CC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000953497006 809052571 /nfs/dbraw/zinc/05/25/71/809052571.db2.gz JRDNJJSMVZAFCI-UHFFFAOYSA-N -1 0 309.326 -0.841 20 0 DBADRM CN(C(=O)C(C)(C)F)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000953513386 809052846 /nfs/dbraw/zinc/05/28/46/809052846.db2.gz WXUFCBSIMCEMBB-UHFFFAOYSA-N -1 0 315.305 -0.893 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3cnccn3)C2)c1[O-] ZINC000953584710 809057392 /nfs/dbraw/zinc/05/73/92/809057392.db2.gz FFBPEXGCEUUWKH-UHFFFAOYSA-N -1 0 316.321 -0.190 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)C3=COCCO3)C2)c1[O-] ZINC000953641819 809060233 /nfs/dbraw/zinc/06/02/33/809060233.db2.gz DAZCKGRLKIEOAU-UHFFFAOYSA-N -1 0 322.321 -0.405 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3cnns3)C2)c1[O-] ZINC000953813816 809096914 /nfs/dbraw/zinc/09/69/14/809096914.db2.gz BJIJEMKCXGMGHS-UHFFFAOYSA-N -1 0 322.350 -0.128 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3cn(C)cn3)C2)c1[O-] ZINC000954052685 809150134 /nfs/dbraw/zinc/15/01/34/809150134.db2.gz XVPWPLQKHZVCSF-UHFFFAOYSA-N -1 0 318.337 -0.246 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)Cc3ccon3)C2)c1[O-] ZINC000954067933 809153977 /nfs/dbraw/zinc/15/39/77/809153977.db2.gz BGBGZVHLSGNQCP-UHFFFAOYSA-N -1 0 319.321 -0.063 20 0 DBADRM COc1cccnc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038957215 815272356 /nfs/dbraw/zinc/27/23/56/815272356.db2.gz LRQVXWJPSOEMAO-SECBINFHSA-N -1 0 318.337 -0.082 20 0 DBADRM Cc1nonc1C(=O)N(C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000954666517 809267735 /nfs/dbraw/zinc/26/77/35/809267735.db2.gz KOCBJIOINIOUEZ-UHFFFAOYSA-N -1 0 320.309 -0.288 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)c2ccco2)C1 ZINC000954933482 809311297 /nfs/dbraw/zinc/31/12/97/809311297.db2.gz CYILOKDHRVRSTO-UHFFFAOYSA-N -1 0 321.293 -0.735 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954934207 809311590 /nfs/dbraw/zinc/31/15/90/809311590.db2.gz WRRHPNKKZWLYMB-CBAPKCEASA-N -1 0 309.326 -0.986 20 0 DBADRM CC(C)CC(=O)N1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000954950707 809316526 /nfs/dbraw/zinc/31/65/26/809316526.db2.gz BBLAIRSPZACMGR-UHFFFAOYSA-N -1 0 322.365 -0.185 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)Cc3nnc[nH]3)C2)c1[O-] ZINC000955386385 809407094 /nfs/dbraw/zinc/40/70/94/809407094.db2.gz AEGUXESTXOTAGZ-UHFFFAOYSA-N -1 0 319.325 -0.933 20 0 DBADRM CN(C(=O)[C@H]1CC12CC2)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000955430206 809414269 /nfs/dbraw/zinc/41/42/69/809414269.db2.gz FBZGBQMEMJTLKG-MRVPVSSYSA-N -1 0 319.321 -0.634 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC000955462227 809420078 /nfs/dbraw/zinc/42/00/78/809420078.db2.gz PYQNPXVFSDWVPB-SCZZXKLOSA-N -1 0 308.338 -0.385 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC000955736078 809440246 /nfs/dbraw/zinc/44/02/46/809440246.db2.gz SHBRVSJQJKDUJT-SCZZXKLOSA-N -1 0 323.353 -0.269 20 0 DBADRM C/C=C(/C)C(=O)N1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000955955309 809471780 /nfs/dbraw/zinc/47/17/80/809471780.db2.gz PDQIAIPLQJTACY-CHDHTGKKSA-N -1 0 321.337 -0.030 20 0 DBADRM CC(=O)NC[C@@H]1CCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC000956017291 809478339 /nfs/dbraw/zinc/47/83/39/809478339.db2.gz CFZAHCMLVWXBAE-JTQLQIEISA-N -1 0 303.322 -0.237 20 0 DBADRM O=C(CCc1cnccn1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957080594 809582935 /nfs/dbraw/zinc/58/29/35/809582935.db2.gz AOGMPZTWLYEHBX-UHFFFAOYSA-N -1 0 317.353 -0.423 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC000957119956 809588376 /nfs/dbraw/zinc/58/83/76/809588376.db2.gz HHFINLKRZVWXBY-JTQLQIEISA-N -1 0 322.369 -0.977 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@@]1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957326165 809627145 /nfs/dbraw/zinc/62/71/45/809627145.db2.gz IBBFVOBUFMHIOF-FZVNPBSJSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@]1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957326166 809627236 /nfs/dbraw/zinc/62/72/36/809627236.db2.gz IBBFVOBUFMHIOF-RDOZXCAGSA-N -1 0 321.337 -0.340 20 0 DBADRM Cn1cncc1CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957330865 809628344 /nfs/dbraw/zinc/62/83/44/809628344.db2.gz NKXJSYZPQOAUST-UHFFFAOYSA-N -1 0 305.342 -0.869 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(Cc2ccon2)CC1 ZINC000957472520 809648022 /nfs/dbraw/zinc/64/80/22/809648022.db2.gz FAWRFJCTESAXRZ-UHFFFAOYSA-N -1 0 308.298 -0.978 20 0 DBADRM CC(C)C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000957527970 809652572 /nfs/dbraw/zinc/65/25/72/809652572.db2.gz LGPJGCFDIRIVFV-RKDXNWHRSA-N -1 0 311.342 -0.692 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1CCC1 ZINC000957527900 809652648 /nfs/dbraw/zinc/65/26/48/809652648.db2.gz GEQMLCBHRKUDIQ-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(Cn1ccccc1=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957605131 809657911 /nfs/dbraw/zinc/65/79/11/809657911.db2.gz HIPUMHGFVKRBTP-UHFFFAOYSA-N -1 0 318.337 -0.984 20 0 DBADRM CN1C[C@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCC1=O ZINC000957791082 809675735 /nfs/dbraw/zinc/67/57/35/809675735.db2.gz DWGDMOZIDACLFG-SNVBAGLBSA-N -1 0 322.369 -0.977 20 0 DBADRM CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC000957823094 809683033 /nfs/dbraw/zinc/68/30/33/809683033.db2.gz YEQKBLLPFOHMSS-AEJSXWLSSA-N -1 0 323.353 -0.405 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)no1 ZINC000957848361 809690622 /nfs/dbraw/zinc/69/06/22/809690622.db2.gz XWTOIACGQPCTEN-WCBMZHEXSA-N -1 0 322.325 -0.971 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1=COCCC1 ZINC000957925783 809719846 /nfs/dbraw/zinc/71/98/46/809719846.db2.gz GKBNYHGXQSMVGQ-WDEREUQCSA-N -1 0 323.353 -0.887 20 0 DBADRM O=C([C@H]1CC12CCOCC2)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957957738 809728141 /nfs/dbraw/zinc/72/81/41/809728141.db2.gz UCNKYEQSBMGGCY-LLVKDONJSA-N -1 0 321.381 -0.029 20 0 DBADRM Cc1nc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)co1 ZINC000958005743 809741353 /nfs/dbraw/zinc/74/13/53/809741353.db2.gz ODCAZGBIPGIOEH-PSASIEDQSA-N -1 0 322.325 -0.971 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc[nH]c1 ZINC000958085774 809764551 /nfs/dbraw/zinc/76/45/51/809764551.db2.gz JOXCGGCOGPXDGJ-ZJUUUORDSA-N -1 0 306.326 -0.939 20 0 DBADRM Cc1nnsc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958196742 809804343 /nfs/dbraw/zinc/80/43/43/809804343.db2.gz DBRKLGXSAIJDGH-QMSLJYSESA-N -1 0 321.366 -0.470 20 0 DBADRM O=C(C[C@@H]1CCCO1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958307411 809853411 /nfs/dbraw/zinc/85/34/11/809853411.db2.gz PISKRHGLJQNUHY-QISWUMQESA-N -1 0 307.354 -0.374 20 0 DBADRM Cc1cnn(CC(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)c1 ZINC000958348526 809872912 /nfs/dbraw/zinc/87/29/12/809872912.db2.gz VBMPVERFYHBWEP-IWIIMEHWSA-N -1 0 317.353 -0.738 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cscn1 ZINC000958394143 809892126 /nfs/dbraw/zinc/89/21/26/809892126.db2.gz YFRFLDDGCYADQF-MTBHXBHISA-N -1 0 306.351 -0.173 20 0 DBADRM O=C(NC[C@@H]1CN(CCF)C[C@@H]1O)c1c[n-]n2c1nccc2=O ZINC000958468514 809922542 /nfs/dbraw/zinc/92/25/42/809922542.db2.gz YWEVEBWCPCZFPS-KOLCDFICSA-N -1 0 323.328 -0.985 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(Cc4cnnn4C)C[C@H]32)c1[O-] ZINC000958584880 809967712 /nfs/dbraw/zinc/96/77/12/809967712.db2.gz VJNDUYQSVNHMCB-URLYPYJESA-N -1 0 317.353 -0.588 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)ncn1 ZINC000958595325 809971732 /nfs/dbraw/zinc/97/17/32/809971732.db2.gz VSQOBOBVFVFKJA-GDGBQDQQSA-N -1 0 315.337 -0.531 20 0 DBADRM Cn1nccc1CC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958719948 810011573 /nfs/dbraw/zinc/01/15/73/810011573.db2.gz PDLHWRCJORFBDG-IWIIMEHWSA-N -1 0 317.353 -0.967 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CN(C(=O)C(C)C)C[C@@H]2O)c1[O-] ZINC000958824690 810040672 /nfs/dbraw/zinc/04/06/72/810040672.db2.gz FQLARYREFKYMTR-UWVGGRQHSA-N -1 0 310.354 -0.277 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000959001757 810076055 /nfs/dbraw/zinc/07/60/55/810076055.db2.gz USGBLQRDMDLLOL-IONNQARKSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N[C@H](C)[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000959197095 810084785 /nfs/dbraw/zinc/08/47/85/810084785.db2.gz ARYYAHYVFAGJJK-SCZZXKLOSA-N -1 0 323.353 -0.412 20 0 DBADRM CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000959197096 810084813 /nfs/dbraw/zinc/08/48/13/810084813.db2.gz ARYYAHYVFAGJJK-WCBMZHEXSA-N -1 0 323.353 -0.412 20 0 DBADRM CC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000959221530 810086486 /nfs/dbraw/zinc/08/64/86/810086486.db2.gz IHJHYXIXXOXORG-SCZZXKLOSA-N -1 0 308.338 -0.527 20 0 DBADRM CC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000959304022 810094538 /nfs/dbraw/zinc/09/45/38/810094538.db2.gz DVOZLHAMEFIGTG-WPRPVWTQSA-N -1 0 308.338 -0.670 20 0 DBADRM CC(=O)N1CC[C@](O)(CNC(=O)c2cccc3n[nH]nc32)C1 ZINC001039806135 815340505 /nfs/dbraw/zinc/34/05/05/815340505.db2.gz TVFMKXAIFZINLD-AWEZNQCLSA-N -1 0 303.322 -0.329 20 0 DBADRM CC(=O)N1C[C@@H]2CN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC000959773459 810121340 /nfs/dbraw/zinc/12/13/40/810121340.db2.gz ICDRLKCJWABZOT-AOOOYVTPSA-N -1 0 321.337 -0.848 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)Cn1cccn1 ZINC000960414630 810174559 /nfs/dbraw/zinc/17/45/59/810174559.db2.gz FNXPGBDIXMPITK-NSHDSACASA-N -1 0 319.369 -0.170 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)c1ccnn1C ZINC000960480679 810178711 /nfs/dbraw/zinc/17/87/11/810178711.db2.gz IIHCIXYGGANNGT-SNVBAGLBSA-N -1 0 319.369 -0.020 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 ZINC000960597068 810185938 /nfs/dbraw/zinc/18/59/38/810185938.db2.gz OHFVLJNNAAJGQQ-BDAKNGLRSA-N -1 0 324.341 -0.959 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)c1cn(C)nn1 ZINC000960604471 810186791 /nfs/dbraw/zinc/18/67/91/810186791.db2.gz GGPXHAWFAKDHHV-VIFPVBQESA-N -1 0 320.357 -0.625 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)c1ncn(C)n1 ZINC000960617912 810187616 /nfs/dbraw/zinc/18/76/16/810187616.db2.gz NZSHIVDVSTVWLI-SECBINFHSA-N -1 0 320.357 -0.625 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)[C@]12C[C@H]1COC2 ZINC000960651740 810190080 /nfs/dbraw/zinc/19/00/80/810190080.db2.gz CEROGYRYJFPWMR-RWSFTLGLSA-N -1 0 321.381 -0.030 20 0 DBADRM CCC(=O)N[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@@H]1O ZINC000961040193 810219204 /nfs/dbraw/zinc/21/92/04/810219204.db2.gz HUCJSYMWHHMSMP-BDAKNGLRSA-N -1 0 320.305 -0.360 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)C[C@@H]1O ZINC000961066850 810222325 /nfs/dbraw/zinc/22/23/25/810222325.db2.gz MEYWZBBZCRTENO-NEPJUHHUSA-N -1 0 316.317 -0.343 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C3CCC3)[C@@H](O)C2)c1[O-] ZINC000961100933 810229917 /nfs/dbraw/zinc/22/99/17/810229917.db2.gz QNCXOYJCPLXHDZ-ZJUUUORDSA-N -1 0 308.338 -0.475 20 0 DBADRM CO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2C1 ZINC000961135257 810234690 /nfs/dbraw/zinc/23/46/90/810234690.db2.gz FMFAMZQUMHEHFV-GARJFASQSA-N -1 0 322.365 -0.011 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3ccoc3)[C@@H](O)C2)c1[O-] ZINC000961541229 810305993 /nfs/dbraw/zinc/30/59/93/810305993.db2.gz LOOUIJZMULOCRX-ZJUUUORDSA-N -1 0 320.305 -0.368 20 0 DBADRM Cc1nocc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000961649536 810334307 /nfs/dbraw/zinc/33/43/07/810334307.db2.gz PJHBSLDAMITQHS-VROVMSAKSA-N -1 0 304.310 -0.333 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000961834033 810383996 /nfs/dbraw/zinc/38/39/96/810383996.db2.gz AVOLFEUHBQTWTO-BNOQRQDOSA-N -1 0 319.365 -0.376 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)O1 ZINC000961838019 810385267 /nfs/dbraw/zinc/38/52/67/810385267.db2.gz ZFTCFYUVTKKFOW-GPTQDWHKSA-N -1 0 307.354 -0.376 20 0 DBADRM COc1ccc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)o1 ZINC000962115777 810449343 /nfs/dbraw/zinc/44/93/43/810449343.db2.gz JBIIMNYCGCXWDL-JDICNCQASA-N -1 0 319.321 -0.028 20 0 DBADRM CCC(=O)N[C@@H]1CC12CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC000962223642 810477686 /nfs/dbraw/zinc/47/76/86/810477686.db2.gz NGJYNCUHZIYOGV-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM CC(=O)N[C@@H]1CC12CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC000962296049 810498563 /nfs/dbraw/zinc/49/85/63/810498563.db2.gz BCLGCNWZFAFRDT-MRVPVSSYSA-N -1 0 307.310 -0.586 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2O)c1[O-] ZINC000962303272 810502116 /nfs/dbraw/zinc/50/21/16/810502116.db2.gz MEVGZKNRECBQMZ-ZJUUUORDSA-N -1 0 319.321 -0.633 20 0 DBADRM CSCC(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC000962304895 810502837 /nfs/dbraw/zinc/50/28/37/810502837.db2.gz ZCWHIBJJULWOAS-SFYZADRCSA-N -1 0 314.367 -0.912 20 0 DBADRM CC[C@H](C)C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC000962304849 810502932 /nfs/dbraw/zinc/50/29/32/810502932.db2.gz YSCUOWHZFPAJMJ-SFGNSQDASA-N -1 0 310.354 -0.229 20 0 DBADRM CCc1nc[nH]c1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000962439916 810527426 /nfs/dbraw/zinc/52/74/26/810527426.db2.gz LPIQUKNSAIJVDX-VROVMSAKSA-N -1 0 317.353 -0.344 20 0 DBADRM CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000962532765 810545524 /nfs/dbraw/zinc/54/55/24/810545524.db2.gz JQHHMBSPJOFOCG-IUCAKERBSA-N -1 0 307.310 -0.492 20 0 DBADRM O=C(C[C@H]1CCCOC1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000962612289 810562601 /nfs/dbraw/zinc/56/26/01/810562601.db2.gz BBRYOIFEBKUOOV-PUHVVEEASA-N -1 0 321.381 -0.127 20 0 DBADRM O=C(Cc1ccc[nH]1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000962682789 810569385 /nfs/dbraw/zinc/56/93/85/810569385.db2.gz PVGCTPLOSVLCQH-IWIIMEHWSA-N -1 0 302.338 -0.373 20 0 DBADRM CC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000964266725 810744871 /nfs/dbraw/zinc/74/48/71/810744871.db2.gz PUJHEYYWZAXUIG-VIFPVBQESA-N -1 0 320.305 -0.095 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ccn[nH]1 ZINC000965328061 810864078 /nfs/dbraw/zinc/86/40/78/810864078.db2.gz UORDKCQIDZQNAK-SCZZXKLOSA-N -1 0 305.342 -0.126 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCOC3(CN(C(=O)C4CC4)C3)C2)c1[O-] ZINC000965354984 810868427 /nfs/dbraw/zinc/86/84/27/810868427.db2.gz PBJPDLAUWMZPKL-UHFFFAOYSA-N -1 0 320.349 -0.113 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000965373632 810871376 /nfs/dbraw/zinc/87/13/76/810871376.db2.gz QQXKANPNRPCRIC-WCBMZHEXSA-N -1 0 305.342 -0.126 20 0 DBADRM COCC(=O)N1CC2(C1)C[C@@H](NC(=O)c1[nH]nc(C)c1[O-])CO2 ZINC000965671891 810935502 /nfs/dbraw/zinc/93/55/02/810935502.db2.gz GLWSFRYSQPQNLW-SECBINFHSA-N -1 0 324.337 -0.830 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)c1[O-] ZINC000965934565 810991486 /nfs/dbraw/zinc/99/14/86/810991486.db2.gz WTPNDEVCDJVIHC-ZJUUUORDSA-N -1 0 319.321 -0.633 20 0 DBADRM C[C@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000966035983 811006633 /nfs/dbraw/zinc/00/66/33/811006633.db2.gz INVTZLLTYULEFL-POYBYMJQSA-N -1 0 307.310 -0.731 20 0 DBADRM CCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000966069178 811011351 /nfs/dbraw/zinc/01/13/51/811011351.db2.gz SBKIXFKOCMRXRS-JGVFFNPUSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(C)C(=O)N1C[C@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000966169191 811026456 /nfs/dbraw/zinc/02/64/56/811026456.db2.gz HFLBCFODDNGFNH-JGVFFNPUSA-N -1 0 309.326 -0.485 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NC(=O)C(C)(C)C ZINC000966645894 811114584 /nfs/dbraw/zinc/11/45/84/811114584.db2.gz YCUOLTLCWMXFOI-YUMQZZPRSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1NC(=O)C1CC1 ZINC000966654238 811115417 /nfs/dbraw/zinc/11/54/17/811115417.db2.gz VSVFFKAFNPBLMW-CBAPKCEASA-N -1 0 309.326 -0.938 20 0 DBADRM CC(=O)N[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000966685300 811122524 /nfs/dbraw/zinc/12/25/24/811122524.db2.gz RCDZHSCLYDOETM-KWQFWETISA-N -1 0 318.337 -0.946 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C(N)=O)C(C)(C)C2)c1[O-] ZINC000967119914 811200227 /nfs/dbraw/zinc/20/02/27/811200227.db2.gz VFEOXOSAUNVHSD-QMMMGPOBSA-N -1 0 323.353 -0.734 20 0 DBADRM CCN(C(=O)c1cn[nH]n1)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000968124606 811344971 /nfs/dbraw/zinc/34/49/71/811344971.db2.gz DVIJOLSCAGVRRF-UHFFFAOYSA-N -1 0 319.325 -0.471 20 0 DBADRM C/C=C(/C)C(=O)N1CC(N(CC)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000968169902 811356568 /nfs/dbraw/zinc/35/65/68/811356568.db2.gz BVQJDAPFGAESIP-YWEYNIOJSA-N -1 0 321.337 -0.078 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC000968172674 811357748 /nfs/dbraw/zinc/35/77/48/811357748.db2.gz XZWMBWXKZKTZFY-VXNVDRBHSA-N -1 0 321.337 -0.388 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ccnnc1 ZINC000968357283 811391394 /nfs/dbraw/zinc/39/13/94/811391394.db2.gz KTGTYILJAXJAIW-KOLCDFICSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccncn1 ZINC000968435682 811407537 /nfs/dbraw/zinc/40/75/37/811407537.db2.gz FMQJVGQKSFDVEE-MWLCHTKSSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cnon1 ZINC000968444468 811410341 /nfs/dbraw/zinc/41/03/41/811410341.db2.gz KVKAFZAYSDCFRH-APPZFPTMSA-N -1 0 307.314 -0.466 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cccnn1 ZINC000968459048 811416732 /nfs/dbraw/zinc/41/67/32/811416732.db2.gz IGLVQDPPVUOWMX-ONGXEEELSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@H]1CCN(CCF)C[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000968544930 811439224 /nfs/dbraw/zinc/43/92/24/811439224.db2.gz WZRFNWYZGVRYBN-GXSJLCMTSA-N -1 0 322.344 -0.173 20 0 DBADRM C[C@H]1CCN(CCF)C[C@@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000968544933 811439311 /nfs/dbraw/zinc/43/93/11/811439311.db2.gz WZRFNWYZGVRYBN-ONGXEEELSA-N -1 0 322.344 -0.173 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cn1cncn1 ZINC000968614695 811455026 /nfs/dbraw/zinc/45/50/26/811455026.db2.gz MHWJFOYLWCTOIU-VHSXEESVSA-N -1 0 320.357 -0.871 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1C ZINC000968697524 811478090 /nfs/dbraw/zinc/47/80/90/811478090.db2.gz GOPYDWACIOWICK-IONNQARKSA-N -1 0 321.341 -0.158 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cn1ccnc1 ZINC000968702124 811479471 /nfs/dbraw/zinc/47/94/71/811479471.db2.gz KVXRDEPCTGTEAE-MNOVXSKESA-N -1 0 319.369 -0.266 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCCCN2CC(N)=O)c1[O-] ZINC000968806622 811494771 /nfs/dbraw/zinc/49/47/71/811494771.db2.gz LDTVNURELHSDPZ-SNVBAGLBSA-N -1 0 309.370 -0.117 20 0 DBADRM O=C(c1cn[nH]c(=O)c1)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC000969007537 811532128 /nfs/dbraw/zinc/53/21/28/811532128.db2.gz DQFAPSYUXWVLKY-MRVPVSSYSA-N -1 0 305.298 -0.990 20 0 DBADRM Cn1cc(CN[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)nn1 ZINC000969034355 811537172 /nfs/dbraw/zinc/53/71/72/811537172.db2.gz DQDNAMAHXYXZJR-SECBINFHSA-N -1 0 303.326 -0.685 20 0 DBADRM O=C(NC[C@H]1CCCCCN1Cc1n[nH]c(=O)[n-]1)c1nnc[nH]1 ZINC000969075313 811543357 /nfs/dbraw/zinc/54/33/57/811543357.db2.gz HFFBSLXOBAEAHU-SECBINFHSA-N -1 0 320.357 -0.197 20 0 DBADRM CN(Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000971398920 811565371 /nfs/dbraw/zinc/56/53/71/811565371.db2.gz YRAOEGUQVYGLQD-LBPRGKRZSA-N -1 0 319.365 -0.023 20 0 DBADRM Cc1cc(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)nn1C ZINC000990380754 811611859 /nfs/dbraw/zinc/61/18/59/811611859.db2.gz DMNFDEFANZNXCL-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3nccnc3N)C2)c1[O-] ZINC000990540927 811692510 /nfs/dbraw/zinc/69/25/10/811692510.db2.gz GNGBWKQONDNBLN-UHFFFAOYSA-N -1 0 317.309 -0.950 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)Cc3cc[nH]n3)C2)c1[O-] ZINC000990591225 811714922 /nfs/dbraw/zinc/71/49/22/811714922.db2.gz JKICWKHCFNOIDR-UHFFFAOYSA-N -1 0 304.310 -0.670 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1n1ccnn1 ZINC000990765527 811756223 /nfs/dbraw/zinc/75/62/23/811756223.db2.gz NQQWOQBEQZQSNN-ZJUUUORDSA-N -1 0 319.325 -0.783 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cnc[nH]c3=O)C2)c1[O-] ZINC000990858344 811790709 /nfs/dbraw/zinc/79/07/09/811790709.db2.gz HBIJJVVVQBMVEZ-UHFFFAOYSA-N -1 0 318.293 -0.826 20 0 DBADRM CCc1nc[nH]c1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990858690 811790841 /nfs/dbraw/zinc/79/08/41/811790841.db2.gz GWMKCNMLABWESZ-UHFFFAOYSA-N -1 0 318.337 -0.036 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)Cc3ccn(C)n3)C2)c1[O-] ZINC000990863702 811792433 /nfs/dbraw/zinc/79/24/33/811792433.db2.gz GMUCUOHHRZFHJT-UHFFFAOYSA-N -1 0 318.337 -0.659 20 0 DBADRM Cc1nnc(CC(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)[nH]1 ZINC000990864265 811792676 /nfs/dbraw/zinc/79/26/76/811792676.db2.gz KZSKOKFQODEIHY-UHFFFAOYSA-N -1 0 319.325 -0.966 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@H]3C[C@@H](C)CO3)C2)c1[O-] ZINC000990863704 811792859 /nfs/dbraw/zinc/79/28/59/811792859.db2.gz GQEPHNWFUCEHLH-GMSGAONNSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cccnn3)C2)c1[O-] ZINC000990863110 811793105 /nfs/dbraw/zinc/79/31/05/811793105.db2.gz OTLKBCNCYQOKDK-UHFFFAOYSA-N -1 0 302.294 -0.532 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3cnc(F)cn3)C[C@H]2O)c1[O-] ZINC001040975325 815475651 /nfs/dbraw/zinc/47/56/51/815475651.db2.gz IJXOBLRKCMGGFB-HTQZYQBOSA-N -1 0 322.300 -0.668 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)CC3OCCCO3)C2)c1[O-] ZINC000990866700 811793613 /nfs/dbraw/zinc/79/36/13/811793613.db2.gz YODQNYVTWPDABF-UHFFFAOYSA-N -1 0 324.337 -0.483 20 0 DBADRM Cc1ncoc1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990866117 811793627 /nfs/dbraw/zinc/79/36/27/811793627.db2.gz UNWNKUPXCIJUFI-UHFFFAOYSA-N -1 0 305.294 -0.025 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)C[C@@](C)(O)C3CC3)C2)c1[O-] ZINC000990865548 811793871 /nfs/dbraw/zinc/79/38/71/811793871.db2.gz QLDYDIVINJZJFE-OAHLLOKOSA-N -1 0 322.365 -0.085 20 0 DBADRM CCn1nncc1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990866582 811793894 /nfs/dbraw/zinc/79/38/94/811793894.db2.gz XBKYUNHNXZYXQK-UHFFFAOYSA-N -1 0 319.325 -0.710 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)C[C@@H]3CCCO3)C2)c1[O-] ZINC000990866661 811793992 /nfs/dbraw/zinc/79/39/92/811793992.db2.gz XSFAOODUKCIGHR-JTQLQIEISA-N -1 0 308.338 -0.067 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)C3=CCOCC3)C2)c1[O-] ZINC000990866561 811794180 /nfs/dbraw/zinc/79/41/80/811794180.db2.gz WLRBKLTXNZLPMW-UHFFFAOYSA-N -1 0 306.322 -0.289 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3nccc(C)n3)C[C@H]2O)c1[O-] ZINC001040975897 815475825 /nfs/dbraw/zinc/47/58/25/815475825.db2.gz OCWUGRFJPMPGPG-NXEZZACHSA-N -1 0 318.337 -0.498 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cncnc3)C2)c1[O-] ZINC000990963368 811830677 /nfs/dbraw/zinc/83/06/77/811830677.db2.gz WCVVCUPINGWCKD-UHFFFAOYSA-N -1 0 302.294 -0.532 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)Cc3ccnn3C)C2)c1[O-] ZINC000991060191 811862513 /nfs/dbraw/zinc/86/25/13/811862513.db2.gz GDQDZGBWKLBGEX-UHFFFAOYSA-N -1 0 318.337 -0.659 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@H]1O ZINC000991159136 811916121 /nfs/dbraw/zinc/91/61/21/811916121.db2.gz WRYSBJUZJSMKHT-WCBMZHEXSA-N -1 0 320.305 -0.360 20 0 DBADRM CCC(=O)N[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC[C@@H]1C ZINC001004267270 811969486 /nfs/dbraw/zinc/96/94/86/811969486.db2.gz NXWKDCNLGOBBNT-ONGXEEELSA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1NC(=O)C1CC1 ZINC001004312244 811972532 /nfs/dbraw/zinc/97/25/32/811972532.db2.gz GRLDIZUDXMCLPG-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001004617184 811999071 /nfs/dbraw/zinc/99/90/71/811999071.db2.gz JKCHJQKGHSAKOO-RKDXNWHRSA-N -1 0 321.337 -0.483 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC1 ZINC001004819016 812008965 /nfs/dbraw/zinc/00/89/65/812008965.db2.gz JJKBTJZVVYNECW-BBBLOLIVSA-N -1 0 321.337 -0.653 20 0 DBADRM CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C2 ZINC001004897561 812013620 /nfs/dbraw/zinc/01/36/20/812013620.db2.gz MMWOTDZSFLXEAV-IEBDPFPHSA-N -1 0 320.349 -0.242 20 0 DBADRM CCC(=O)N1CC[C@@H](C)[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001005083761 812028042 /nfs/dbraw/zinc/02/80/42/812028042.db2.gz FEPWEPOBDQRNJG-SFYZADRCSA-N -1 0 309.326 -0.340 20 0 DBADRM CCC(=O)N1CC[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001005102946 812028765 /nfs/dbraw/zinc/02/87/65/812028765.db2.gz YIGZUTZJTMXWSF-RKDXNWHRSA-N -1 0 311.342 -0.548 20 0 DBADRM CN(C(=O)c1cn[nH]c1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005147101 812039469 /nfs/dbraw/zinc/03/94/69/812039469.db2.gz WKSZXYUUTLWRJQ-UHFFFAOYSA-N -1 0 305.342 -0.030 20 0 DBADRM CN(C(=O)[C@H]1CCC(=O)N1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005175489 812039883 /nfs/dbraw/zinc/03/98/83/812039883.db2.gz DXJSCWNZUSMGRH-SNVBAGLBSA-N -1 0 322.369 -0.788 20 0 DBADRM CNC(=O)CN1CCC(N(C)C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001005253730 812054498 /nfs/dbraw/zinc/05/44/98/812054498.db2.gz APEFQHDHPFTCOX-UHFFFAOYSA-N -1 0 309.370 -0.294 20 0 DBADRM CC(=O)NC[C@@H]1CCCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001005316100 812060022 /nfs/dbraw/zinc/06/00/22/812060022.db2.gz LNPFKJYJEBWSRZ-VIFPVBQESA-N -1 0 309.326 -0.196 20 0 DBADRM C[C@H](NC(=O)C1CC1)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001005548270 812075117 /nfs/dbraw/zinc/07/51/17/812075117.db2.gz ABEALYOAANGWSZ-QMMMGPOBSA-N -1 0 320.349 -0.527 20 0 DBADRM CC(=O)N[C@H](C)C1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001005549409 812075308 /nfs/dbraw/zinc/07/53/08/812075308.db2.gz SAWFNSGBPHBKBE-MRVPVSSYSA-N -1 0 303.322 -0.381 20 0 DBADRM CC(=O)N[C@H](C)C1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001005548651 812075364 /nfs/dbraw/zinc/07/53/64/812075364.db2.gz DWFDGEWENDCCLA-MRVPVSSYSA-N -1 0 318.337 -0.946 20 0 DBADRM CN(C(=O)c1cnon1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001006170219 812167706 /nfs/dbraw/zinc/16/77/06/812167706.db2.gz PQKZNUBHRYSJJX-UHFFFAOYSA-N -1 0 307.314 -0.370 20 0 DBADRM CC[C@H](C)C(=O)N1CC([C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006496902 812213449 /nfs/dbraw/zinc/21/34/49/812213449.db2.gz WSTFZBXDAPKJOA-YUMQZZPRSA-N -1 0 323.353 -0.094 20 0 DBADRM CCCC(=O)N1CC([C@H](C)NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001006553606 812217092 /nfs/dbraw/zinc/21/70/92/812217092.db2.gz PJAVEDCBHLYJPF-VIFPVBQESA-N -1 0 322.365 -0.137 20 0 DBADRM Cc1c(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001006769852 812245713 /nfs/dbraw/zinc/24/57/13/812245713.db2.gz WNFYCKWXTKXEHM-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(Cc1cc[nH]n1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001006994961 812263187 /nfs/dbraw/zinc/26/31/87/812263187.db2.gz QJTHESDEFXFAEX-SNVBAGLBSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(CC(=O)N3CCC3)C2)c1[O-] ZINC001007123538 812268822 /nfs/dbraw/zinc/26/88/22/812268822.db2.gz WTKUBAIRXKTPJX-NSHDSACASA-N -1 0 321.381 -0.150 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(CC(=O)N3CCC3)C2)c1[O-] ZINC001007123536 812268923 /nfs/dbraw/zinc/26/89/23/812268923.db2.gz WTKUBAIRXKTPJX-LLVKDONJSA-N -1 0 321.381 -0.150 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cncnc1 ZINC001007185794 812274565 /nfs/dbraw/zinc/27/45/65/812274565.db2.gz XXQKQZHCQZDIBY-JTQLQIEISA-N -1 0 303.326 -0.305 20 0 DBADRM CC(=O)N1CC(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001007221171 812279203 /nfs/dbraw/zinc/27/92/03/812279203.db2.gz NXYHFOUNKOHWDJ-NSHDSACASA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001007306248 812294839 /nfs/dbraw/zinc/29/48/39/812294839.db2.gz FHLUZEOBJATWLL-VIFPVBQESA-N -1 0 320.357 -0.740 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]23CCC[C@H]2CN(C(=O)C(N)=O)C3)c1[O-] ZINC001007326032 812297323 /nfs/dbraw/zinc/29/73/23/812297323.db2.gz VHIQHVLRMXXGAQ-RTHLEPHNSA-N -1 0 321.337 -0.980 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C3CCCC3)C2)c1[O-] ZINC001041112060 815518043 /nfs/dbraw/zinc/51/80/43/815518043.db2.gz HXDPYENMPDLZBN-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@]12C[C@H]1COC2 ZINC001007380765 812304725 /nfs/dbraw/zinc/30/47/25/812304725.db2.gz TXCQCGZBEHJEON-BHDSKKPTSA-N -1 0 307.354 -0.373 20 0 DBADRM CO[C@H](C)C(=O)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041115799 815519479 /nfs/dbraw/zinc/51/94/79/815519479.db2.gz RKBAHBKFBABMPB-YGRLFVJLSA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCCNC1=O ZINC001007535442 812323424 /nfs/dbraw/zinc/32/34/24/812323424.db2.gz PWALTEQSYZOLQI-NXEZZACHSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2ccon2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001007799856 812359391 /nfs/dbraw/zinc/35/93/91/812359391.db2.gz LGOSLXFGPQMGJG-QMMMGPOBSA-N -1 0 320.309 -0.335 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001007885423 812364875 /nfs/dbraw/zinc/36/48/75/812364875.db2.gz QPYJZKAKHGJKCG-SDBXPKJASA-N -1 0 307.310 -0.586 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001007966590 812372860 /nfs/dbraw/zinc/37/28/60/812372860.db2.gz HZQGZMOLEYINAR-BONVTDFDSA-N -1 0 320.349 -0.383 20 0 DBADRM C[C@]1(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CNC(=O)C1 ZINC001008036821 812377067 /nfs/dbraw/zinc/37/70/67/812377067.db2.gz RMUKPWZAJSQQIU-LKFCYVNXSA-N -1 0 322.369 -0.883 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008202310 812400365 /nfs/dbraw/zinc/40/03/65/812400365.db2.gz GTDMYOINPHPBLF-UWVGGRQHSA-N -1 0 322.369 -0.788 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1=O ZINC001008248007 812406024 /nfs/dbraw/zinc/40/60/24/812406024.db2.gz LSTBQWUKOHDTCT-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008274832 812409015 /nfs/dbraw/zinc/40/90/15/812409015.db2.gz GTDMYOINPHPBLF-NXEZZACHSA-N -1 0 322.369 -0.788 20 0 DBADRM CC1(C)CN(C(=O)C2CC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001008369206 812420275 /nfs/dbraw/zinc/42/02/75/812420275.db2.gz AQEVEKGBNWJURH-MRVPVSSYSA-N -1 0 321.337 -0.340 20 0 DBADRM CCC(=O)N1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C(C)(C)C1 ZINC001008392374 812425313 /nfs/dbraw/zinc/42/53/13/812425313.db2.gz BLWJPZGPOZVKSG-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C(C)(C)C1 ZINC001008409121 812426757 /nfs/dbraw/zinc/42/67/57/812426757.db2.gz UXLRLZKUFWQZKG-JTQLQIEISA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@@]1(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CCNC1=O ZINC001008510427 812437961 /nfs/dbraw/zinc/43/79/61/812437961.db2.gz PRPDOTUPVHJNJI-YMTOWFKASA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21)C1CC1 ZINC001008693903 812461247 /nfs/dbraw/zinc/46/12/47/812461247.db2.gz UHFYTVHSJWTSIJ-PSVAKVPMSA-N -1 0 319.321 -0.873 20 0 DBADRM CO[C@@H](C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3[nH]nc(C)c3[O-])[C@@H]2C1 ZINC001008960076 812493854 /nfs/dbraw/zinc/49/38/54/812493854.db2.gz MVJBBPABNSLGEL-XWLWVQCSSA-N -1 0 322.365 -0.107 20 0 DBADRM Cn1cncc1CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001009206026 812519566 /nfs/dbraw/zinc/51/95/66/812519566.db2.gz CENAVNXPTZNBNQ-JTQLQIEISA-N -1 0 319.369 -0.433 20 0 DBADRM CCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001009292375 812529124 /nfs/dbraw/zinc/52/91/24/812529124.db2.gz YKOZJDJSHBJNBP-WHUPJOBBSA-N -1 0 307.310 -0.873 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCCN(Cc2ccon2)C1 ZINC001009331658 812532004 /nfs/dbraw/zinc/53/20/04/812532004.db2.gz XERQGLIVSXYSLZ-VIFPVBQESA-N -1 0 322.325 -0.542 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001009347983 812534100 /nfs/dbraw/zinc/53/41/00/812534100.db2.gz VSLWFOKULPAYPM-JTQLQIEISA-N -1 0 319.369 -0.135 20 0 DBADRM CCC(=O)N1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001009636266 812568933 /nfs/dbraw/zinc/56/89/33/812568933.db2.gz BYHFVGAMWSRFOO-UHFFFAOYSA-N -1 0 318.337 -0.848 20 0 DBADRM CC(C)CC(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001009952332 812604371 /nfs/dbraw/zinc/60/43/71/812604371.db2.gz LOGGMUTWKWTOPZ-UHFFFAOYSA-N -1 0 311.342 -0.594 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001010064542 812615234 /nfs/dbraw/zinc/61/52/34/812615234.db2.gz HJLCUWHFKSGYKR-RKDXNWHRSA-N -1 0 309.326 -0.984 20 0 DBADRM CC(=O)NC[C@@H]1C[C@@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001010234547 812640768 /nfs/dbraw/zinc/64/07/68/812640768.db2.gz DHJKECINGHVGTB-SCZZXKLOSA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC001010285461 812652501 /nfs/dbraw/zinc/65/25/01/812652501.db2.gz JXVRQCDJVBJZDB-NXEZZACHSA-N -1 0 305.342 -0.342 20 0 DBADRM O=C(c1ccc[nH]1)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001010323754 812660624 /nfs/dbraw/zinc/66/06/24/812660624.db2.gz RQRFABIFSYGZJM-UHFFFAOYSA-N -1 0 318.293 -0.791 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(C(=O)c2ccoc2)CC1 ZINC001010339359 812665286 /nfs/dbraw/zinc/66/52/86/812665286.db2.gz CZFDKZIKLASLJD-UHFFFAOYSA-N -1 0 321.293 -0.733 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN([C@H](C)C(=O)NC3CC3)C2)c1[O-] ZINC001010545103 812715280 /nfs/dbraw/zinc/71/52/80/812715280.db2.gz JRMPCRQFRXUFQC-MWLCHTKSSA-N -1 0 321.381 -0.105 20 0 DBADRM O=C(Cc1cccnc1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010621428 812727247 /nfs/dbraw/zinc/72/72/47/812727247.db2.gz UENWALIDBAICIM-LLVKDONJSA-N -1 0 302.338 -0.162 20 0 DBADRM CCN1CC[C@H](N2CC[C@@H](NC(=O)c3[nH]nc(C)c3[O-])C2)C1=O ZINC001010645639 812732075 /nfs/dbraw/zinc/73/20/75/812732075.db2.gz ZSXBFXZPAZUKDP-MNOVXSKESA-N -1 0 321.381 -0.151 20 0 DBADRM Cn1nccc1CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010797628 812770823 /nfs/dbraw/zinc/77/08/23/812770823.db2.gz YHRUYXVTMXMXOQ-SECBINFHSA-N -1 0 305.342 -0.823 20 0 DBADRM Cc1ccnc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001010813942 812776192 /nfs/dbraw/zinc/77/61/92/812776192.db2.gz DVSMBYFJAWZIGC-SECBINFHSA-N -1 0 303.326 -0.387 20 0 DBADRM O=C(/C=C/C1CC1)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001010883408 812798731 /nfs/dbraw/zinc/79/87/31/812798731.db2.gz IKHBAPVNDOGYAR-ONEGZZNKSA-N -1 0 319.321 -0.467 20 0 DBADRM C[C@@H]1[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)CC1CC1 ZINC001011376027 812885868 /nfs/dbraw/zinc/88/58/68/812885868.db2.gz XNJMGMHLEXKIFF-VXNVDRBHSA-N -1 0 321.337 -0.198 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cnon3)[C@H]2C)c1[O-] ZINC001011660818 812923934 /nfs/dbraw/zinc/92/39/34/812923934.db2.gz RJEUZYXAUWZQAT-HTQZYQBOSA-N -1 0 320.309 -0.160 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cnon3)[C@@H]2C)c1[O-] ZINC001011660819 812924131 /nfs/dbraw/zinc/92/41/31/812924131.db2.gz RJEUZYXAUWZQAT-JGVFFNPUSA-N -1 0 320.309 -0.160 20 0 DBADRM CCC1(C(=O)N2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)CC1 ZINC001011736861 812939329 /nfs/dbraw/zinc/93/93/29/812939329.db2.gz SUAPOMCOYNIWMO-UHFFFAOYSA-N -1 0 321.337 -0.243 20 0 DBADRM CC[C@H](F)C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001011851984 812956026 /nfs/dbraw/zinc/95/60/26/812956026.db2.gz KBWWESUGLIJHNK-QMMMGPOBSA-N -1 0 315.305 -0.892 20 0 DBADRM C[C@@H]1[C@H](NC(=O)C2CC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001011931221 812972434 /nfs/dbraw/zinc/97/24/34/812972434.db2.gz OTRQESWIMUIDQW-HTRCEHHLSA-N -1 0 307.310 -0.588 20 0 DBADRM C[C@H]1[C@H](NC(=O)CC2CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001011946042 812973916 /nfs/dbraw/zinc/97/39/16/812973916.db2.gz WXNHMNKZEUCOGU-WCBMZHEXSA-N -1 0 323.353 -0.405 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C)c1[O-] ZINC001011964793 812980614 /nfs/dbraw/zinc/98/06/14/812980614.db2.gz RVYXHCWDJFFWLR-HTQZYQBOSA-N -1 0 319.325 -0.425 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C[C@H]1C ZINC001012121648 813015439 /nfs/dbraw/zinc/01/54/39/813015439.db2.gz NXUIGZPZODRNRG-SCZZXKLOSA-N -1 0 303.322 -0.238 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)C1CCC1 ZINC001012144492 813017608 /nfs/dbraw/zinc/01/76/08/813017608.db2.gz WDISUJNAKYOPBX-SCZZXKLOSA-N -1 0 323.353 -0.405 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)N(C(=O)CC(N)=O)C2)c1[O-] ZINC001012406937 813049134 /nfs/dbraw/zinc/04/91/34/813049134.db2.gz IWPGKJKOZKRWET-SVRRBLITSA-N -1 0 309.326 -0.982 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)N(C(=O)CC(N)=O)C2)c1[O-] ZINC001012406936 813049784 /nfs/dbraw/zinc/04/97/84/813049784.db2.gz IWPGKJKOZKRWET-POYBYMJQSA-N -1 0 309.326 -0.982 20 0 DBADRM CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001012616520 813080243 /nfs/dbraw/zinc/08/02/43/813080243.db2.gz KBAZYCXJWYHETL-PSASIEDQSA-N -1 0 303.322 -0.238 20 0 DBADRM CC(C)C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001013412408 813138234 /nfs/dbraw/zinc/13/82/34/813138234.db2.gz LVGSDMYKRNGZFD-SFYZADRCSA-N -1 0 309.326 -0.342 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C(F)F)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013493572 813141657 /nfs/dbraw/zinc/14/16/57/813141657.db2.gz VFGGYYGOIDTXCH-NTSWFWBYSA-N -1 0 319.268 -0.940 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C2CCC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013492136 813141764 /nfs/dbraw/zinc/14/17/64/813141764.db2.gz NMQJHDITUSCBHJ-WCBMZHEXSA-N -1 0 323.353 -0.405 20 0 DBADRM C/C=C(/C)C(=O)N1C[C@@H]2C(NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001013525355 813143788 /nfs/dbraw/zinc/14/37/88/813143788.db2.gz YTZIOFZIMFSHGY-UGPRGCMCSA-N -1 0 321.337 -0.772 20 0 DBADRM CC(C)C(=O)N[C@H]1C[C@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001013546837 813148454 /nfs/dbraw/zinc/14/84/54/813148454.db2.gz CFKDZLLASZESBX-UWVGGRQHSA-N -1 0 322.365 -0.139 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C2CC2)CN1C(=O)c1cnc([O-])n(C)c1=O ZINC001013546879 813148486 /nfs/dbraw/zinc/14/84/86/813148486.db2.gz CSVZEAVGNWBUHN-PSASIEDQSA-N -1 0 320.349 -0.385 20 0 DBADRM CC(=O)N[C@H]1C[C@@H](C)N(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001013624478 813151840 /nfs/dbraw/zinc/15/18/40/813151840.db2.gz ACRIKRPKTNDIQR-SCZZXKLOSA-N -1 0 318.337 -0.803 20 0 DBADRM CC(=O)NC1CC2(C1)CC(NC(=O)c1cnc([O-])n(C)c1=O)C2 ZINC001013934399 813180955 /nfs/dbraw/zinc/18/09/55/813180955.db2.gz BFFYFPMGECAWTP-UHFFFAOYSA-N -1 0 320.349 -0.337 20 0 DBADRM CC(=O)N[C@@]12CCC[C@@H]1N(C(=O)c1cnc([O-])n(C)c1=O)CC2 ZINC001014116039 813211017 /nfs/dbraw/zinc/21/10/17/813211017.db2.gz VQQSKKWJLOACEA-XHDPSFHLSA-N -1 0 320.349 -0.241 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]23CCC[C@@H]2N(C(=O)C(N)=O)CC3)c1[O-] ZINC001014245389 813215432 /nfs/dbraw/zinc/21/54/32/813215432.db2.gz LHOJWPBOIJXKIW-RMLUDKJBSA-N -1 0 321.337 -0.838 20 0 DBADRM CC(=O)N1CC[C@]2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CCC[C@H]12 ZINC001014360768 813222496 /nfs/dbraw/zinc/22/24/96/813222496.db2.gz PAHZGXHCLFSXRG-ISVAXAHUSA-N -1 0 307.310 -0.444 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001014514704 813259026 /nfs/dbraw/zinc/25/90/26/813259026.db2.gz OSKHAVHAJHAVHU-AEJSXWLSSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001014604102 813272845 /nfs/dbraw/zinc/27/28/45/813272845.db2.gz SQXWTLPJBQTQQH-HBNTYKKESA-N -1 0 323.353 -0.548 20 0 DBADRM CCN1C[C@@H](C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001014639810 813283915 /nfs/dbraw/zinc/28/39/15/813283915.db2.gz XYTHRKPSJWQTFL-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM CCC(=O)N[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001014654541 813287613 /nfs/dbraw/zinc/28/76/13/813287613.db2.gz PWVZVLUEWCTJCM-RKDXNWHRSA-N -1 0 311.342 -0.405 20 0 DBADRM CCC(=O)N[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001014654538 813287694 /nfs/dbraw/zinc/28/76/94/813287694.db2.gz PWVZVLUEWCTJCM-DTWKUNHWSA-N -1 0 311.342 -0.405 20 0 DBADRM CCc1nn(C)cc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014843802 813321819 /nfs/dbraw/zinc/32/18/19/813321819.db2.gz ZFQBVXGIJNTYLT-SECBINFHSA-N -1 0 319.369 -0.190 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)[C@@H]2C)c1[O-] ZINC001014876281 813330327 /nfs/dbraw/zinc/33/03/27/813330327.db2.gz DWGWXYLZSKYHCM-SFYZADRCSA-N -1 0 309.326 -0.982 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001014968688 813343641 /nfs/dbraw/zinc/34/36/41/813343641.db2.gz PGGZCGQZUVUYTH-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM COc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)ccn1 ZINC001015054425 813357923 /nfs/dbraw/zinc/35/79/23/813357923.db2.gz XKTCXAOWSPMCNY-SNVBAGLBSA-N -1 0 318.337 -0.082 20 0 DBADRM Cn1cc(CN2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)cn1 ZINC001015109395 813369832 /nfs/dbraw/zinc/36/98/32/813369832.db2.gz JBFJUVWVOBXSDZ-VIFPVBQESA-N -1 0 319.325 -0.979 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCCN1C(=O)C1CC1 ZINC001015101744 813370114 /nfs/dbraw/zinc/37/01/14/813370114.db2.gz PZRMPBLCLCXXRR-APPZFPTMSA-N -1 0 321.337 -0.198 20 0 DBADRM Cc1cnc(CN2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001015110025 813370614 /nfs/dbraw/zinc/37/06/14/813370614.db2.gz PHCKXBWYWHWXKQ-QMMMGPOBSA-N -1 0 320.309 -0.416 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2ccon2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015110886 813370625 /nfs/dbraw/zinc/37/06/25/813370625.db2.gz XZYCKQRXWYEEJG-SSDOTTSWSA-N -1 0 306.282 -0.725 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2cccnc2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015109748 813371515 /nfs/dbraw/zinc/37/15/15/813371515.db2.gz MJKDPXSFZBIQNN-SNVBAGLBSA-N -1 0 316.321 -0.318 20 0 DBADRM CC(=O)N1CCC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H]1C ZINC001015115642 813371896 /nfs/dbraw/zinc/37/18/96/813371896.db2.gz NEMNNYBDPJUQLL-LDYMZIIASA-N -1 0 308.338 -0.385 20 0 DBADRM Cc1ncoc1CN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015117742 813372126 /nfs/dbraw/zinc/37/21/26/813372126.db2.gz FQPTTZAIMQYUMI-MRVPVSSYSA-N -1 0 320.309 -0.416 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2cscn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015121563 813373259 /nfs/dbraw/zinc/37/32/59/813373259.db2.gz VAJKHGIAKNXLDE-SSDOTTSWSA-N -1 0 322.350 -0.256 20 0 DBADRM CCC(=O)N[C@H]1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015264655 813400231 /nfs/dbraw/zinc/40/02/31/813400231.db2.gz GCDAIFXJSGKSKM-YUMQZZPRSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(=O)N[C@H]1CC[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001015278328 813401837 /nfs/dbraw/zinc/40/18/37/813401837.db2.gz XTGMUGLXVNPROY-ZJUUUORDSA-N -1 0 308.338 -0.480 20 0 DBADRM CC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001015278324 813402189 /nfs/dbraw/zinc/40/21/89/813402189.db2.gz XTGMUGLXVNPROY-NXEZZACHSA-N -1 0 308.338 -0.480 20 0 DBADRM CN1C(=O)CC[C@H]1CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015493496 813436235 /nfs/dbraw/zinc/43/62/35/813436235.db2.gz PEWWZEBCYQRABX-ZJUUUORDSA-N -1 0 322.369 -0.788 20 0 DBADRM C[C@]1(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCC(=O)NC1 ZINC001015591661 813469604 /nfs/dbraw/zinc/46/96/04/813469604.db2.gz IDVGDWMRQVFTRE-OTYXRUKQSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1ccnn1CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015777339 813521758 /nfs/dbraw/zinc/52/17/58/813521758.db2.gz LGAMYRHMTRLYRJ-SNVBAGLBSA-N -1 0 305.342 -0.594 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(Cc2cncs2)C1 ZINC001016112191 813599599 /nfs/dbraw/zinc/59/95/99/813599599.db2.gz WDKCCMWCIHSIJY-MRVPVSSYSA-N -1 0 324.366 -0.464 20 0 DBADRM CC[C@@H](F)CN1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016110210 813599769 /nfs/dbraw/zinc/59/97/69/813599769.db2.gz JLVOYGHWMVXTDY-RKDXNWHRSA-N -1 0 301.322 -0.372 20 0 DBADRM Cc1cc(CN2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)on1 ZINC001016110752 813599933 /nfs/dbraw/zinc/59/99/33/813599933.db2.gz MWPKMUCCUXIGDU-VIFPVBQESA-N -1 0 322.325 -0.624 20 0 DBADRM Cc1nc(CN2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)co1 ZINC001016112639 813600469 /nfs/dbraw/zinc/60/04/69/813600469.db2.gz YPWKPVYCPRIMMH-VIFPVBQESA-N -1 0 322.325 -0.624 20 0 DBADRM CCC(=O)NC1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001016826921 813728027 /nfs/dbraw/zinc/72/80/27/813728027.db2.gz BNGDFQROOBOYNA-UHFFFAOYSA-N -1 0 308.338 -0.385 20 0 DBADRM CC(=O)NCC1=CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001017210306 813774453 /nfs/dbraw/zinc/77/44/53/813774453.db2.gz CFZXGJDHAHMENM-UHFFFAOYSA-N -1 0 306.322 -0.606 20 0 DBADRM CC(=O)NCC1=CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001017213790 813774687 /nfs/dbraw/zinc/77/46/87/813774687.db2.gz RTCKDZIMZLRTQM-UHFFFAOYSA-N -1 0 321.337 -0.490 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2=CCN(C(=O)CC(N)=O)CC2)c1[O-] ZINC001017387686 813789553 /nfs/dbraw/zinc/78/95/53/813789553.db2.gz JYSBLKYDEQNFBU-UHFFFAOYSA-N -1 0 321.337 -0.812 20 0 DBADRM CNC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-] ZINC001017480487 813798637 /nfs/dbraw/zinc/79/86/37/813798637.db2.gz NZXQKOKOSJIREA-GARJFASQSA-N -1 0 321.381 -0.153 20 0 DBADRM CCC(=O)N[C@@H]1CC[C@H](C)N(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001017862166 813843191 /nfs/dbraw/zinc/84/31/91/813843191.db2.gz PIVFICJSEKWJCE-JGVFFNPUSA-N -1 0 309.326 -0.198 20 0 DBADRM CCC(=O)N[C@H]1CC[C@H](C)N(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001017864965 813843968 /nfs/dbraw/zinc/84/39/68/813843968.db2.gz OLAOFVDFFODOJW-IUCAKERBSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(=O)N[C@@H]1CC[C@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001017878607 813846567 /nfs/dbraw/zinc/84/65/67/813846567.db2.gz YDPPTHMELUJBEN-WCBMZHEXSA-N -1 0 308.338 -0.385 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)C2CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001017890554 813847776 /nfs/dbraw/zinc/84/77/76/813847776.db2.gz MOLFBEDZCUKSLM-VXNVDRBHSA-N -1 0 321.337 -0.198 20 0 DBADRM CCC(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@H]1C ZINC001018307333 813887843 /nfs/dbraw/zinc/88/78/43/813887843.db2.gz RVOCRIWJMBMFJO-BDAKNGLRSA-N -1 0 311.342 -0.405 20 0 DBADRM CCC(=O)N1CC[C@@H](C)[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001018451978 813914579 /nfs/dbraw/zinc/91/45/79/813914579.db2.gz OMSQXGVALKFUFP-BDAKNGLRSA-N -1 0 323.353 -0.093 20 0 DBADRM CC(=O)N1CC[C@@H](C)[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001018467033 813916711 /nfs/dbraw/zinc/91/67/11/813916711.db2.gz VWAQSHPBRQNCIW-MWLCHTKSSA-N -1 0 322.365 -0.280 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@@H]1C ZINC001018598227 813935825 /nfs/dbraw/zinc/93/58/25/813935825.db2.gz LWYAWQWVZLCSGY-WCBMZHEXSA-N -1 0 311.342 -0.690 20 0 DBADRM CC(=O)N1CCCC[C@@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001019691730 814220498 /nfs/dbraw/zinc/22/04/98/814220498.db2.gz PIEXMLFIUIQTSL-SECBINFHSA-N -1 0 309.326 -0.244 20 0 DBADRM Cc1nccc(C(=O)N2CC[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001019785397 814233647 /nfs/dbraw/zinc/23/36/47/814233647.db2.gz AZEHLUJTPODXEC-VIFPVBQESA-N -1 0 303.326 -0.387 20 0 DBADRM O=C(c1cnon1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029521924 814392013 /nfs/dbraw/zinc/39/20/13/814392013.db2.gz DCTRLLBBXWYYHH-OCAPTIKFSA-N -1 0 305.298 -0.618 20 0 DBADRM Cc1cn(C)nc1C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033076329 814404713 /nfs/dbraw/zinc/40/47/13/814404713.db2.gz VMMMZYOVJFOXLS-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033093835 814412594 /nfs/dbraw/zinc/41/25/94/814412594.db2.gz PFNSVTZMIAIITQ-BHDSKKPTSA-N -1 0 307.354 -0.421 20 0 DBADRM CN(C(=O)C[C@H]1CCNC1=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033138258 814424305 /nfs/dbraw/zinc/42/43/05/814424305.db2.gz FZNKDNFLOQOLRI-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C(=O)C[C@H]1CCNC1=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033138249 814424734 /nfs/dbraw/zinc/42/47/34/814424734.db2.gz FZNKDNFLOQOLRI-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1ncn(C)c1C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033174573 814435927 /nfs/dbraw/zinc/43/59/27/814435927.db2.gz OJYIPQNNBSTNON-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C(=O)[C@@H]1CCC(=O)NC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033222346 814450046 /nfs/dbraw/zinc/45/00/46/814450046.db2.gz PTHAPBAZZBAMDX-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1cncn1CC(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033264798 814460795 /nfs/dbraw/zinc/46/07/95/814460795.db2.gz CXUYQUZUBJZTKB-LLVKDONJSA-N -1 0 319.369 -0.252 20 0 DBADRM CN(C(=O)[C@H]1CCN(C)C1=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033341077 814482369 /nfs/dbraw/zinc/48/23/69/814482369.db2.gz LAXWKYLLHWIIEQ-ZJUUUORDSA-N -1 0 322.369 -0.979 20 0 DBADRM Cc1cnn(C)c1C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033341512 814482517 /nfs/dbraw/zinc/48/25/17/814482517.db2.gz TXNGWPTTZVZBDD-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033350825 814485437 /nfs/dbraw/zinc/48/54/37/814485437.db2.gz MMVJOVUXLWZERW-SVDPJWKOSA-N -1 0 307.354 -0.565 20 0 DBADRM Cc1ncc(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC001033361205 814486615 /nfs/dbraw/zinc/48/66/15/814486615.db2.gz MYSDOZTYECGCEP-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C(=O)[C@@]1(F)CCOC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033367135 814488455 /nfs/dbraw/zinc/48/84/55/814488455.db2.gz FDEXWURNNNOUKI-NOZJJQNGSA-N -1 0 313.333 -0.328 20 0 DBADRM CN(C(=O)[C@@]1(C)CCNC1=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033420562 814505598 /nfs/dbraw/zinc/50/55/98/814505598.db2.gz INWMVFVHZOSFMW-OTYXRUKQSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C(=O)c1cccnn1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033525375 814531271 /nfs/dbraw/zinc/53/12/71/814531271.db2.gz GAOBBVSFWDFBNV-VIFPVBQESA-N -1 0 303.326 -0.353 20 0 DBADRM CCN(C(=O)[C@@H]1CCOC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033774148 814584745 /nfs/dbraw/zinc/58/47/45/814584745.db2.gz PIQNEUBAYSLTTJ-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(Cc1cc[nH]n1)N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034141890 814636365 /nfs/dbraw/zinc/63/63/65/814636365.db2.gz IZRNURCDBFXXCN-NSHDSACASA-N -1 0 319.369 -0.053 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2CCCCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001034196303 814646593 /nfs/dbraw/zinc/64/65/93/814646593.db2.gz YKYYHZACONECBD-SECBINFHSA-N -1 0 320.357 -0.577 20 0 DBADRM O=C(Cc1c[nH]cn1)N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034418968 814678922 /nfs/dbraw/zinc/67/89/22/814678922.db2.gz INKDWRVOACLYNR-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]2CNCc2nnn(C)n2)c1[O-] ZINC001034908822 814742255 /nfs/dbraw/zinc/74/22/55/814742255.db2.gz QSXDZVRJBPFGSM-SECBINFHSA-N -1 0 320.357 -0.658 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@@H]1CNCc1ccon1 ZINC001034983036 814758283 /nfs/dbraw/zinc/75/82/83/814758283.db2.gz VQJUYVPBKPLLIR-SECBINFHSA-N -1 0 320.309 -0.335 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)on1 ZINC001035281940 814876222 /nfs/dbraw/zinc/87/62/22/814876222.db2.gz RBACSVIYRURQMN-VIFPVBQESA-N -1 0 322.325 -0.562 20 0 DBADRM Cc1ncoc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035323102 814893455 /nfs/dbraw/zinc/89/34/55/814893455.db2.gz PVRSEYSNWBCKSU-SECBINFHSA-N -1 0 322.325 -0.562 20 0 DBADRM CC1CC(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)C1 ZINC001035338667 814897978 /nfs/dbraw/zinc/89/79/78/814897978.db2.gz XDHYWDDWNPWUOG-VQXHTEKXSA-N -1 0 309.370 -0.127 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035341284 814898468 /nfs/dbraw/zinc/89/84/68/814898468.db2.gz FNFTVDNRPGTJNJ-UWVGGRQHSA-N -1 0 309.370 -0.127 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)C1=CCOCC1 ZINC001035345578 814899824 /nfs/dbraw/zinc/89/98/24/814899824.db2.gz AVZKQYGYTBETSP-LLVKDONJSA-N -1 0 323.353 -0.826 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1cc[nH]c1 ZINC001035379226 814912451 /nfs/dbraw/zinc/91/24/51/814912451.db2.gz HYPTYXBEWCCNJN-SNVBAGLBSA-N -1 0 306.326 -0.531 20 0 DBADRM CC[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001041551423 815646114 /nfs/dbraw/zinc/64/61/14/815646114.db2.gz ZLVZBYNAFZQQEC-MRVPVSSYSA-N -1 0 310.354 -0.227 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CCN(CC(N)=O)[C@H]3C2)c1[O-] ZINC001042016415 815797837 /nfs/dbraw/zinc/79/78/37/815797837.db2.gz PIBWIKQFKJJFBT-ZJUUUORDSA-N -1 0 307.354 -0.555 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)CCC3CC3)C2)c1[O-] ZINC001042183032 815849336 /nfs/dbraw/zinc/84/93/36/815849336.db2.gz WVOOLFHDHTTWEQ-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C3CC3)C2)c1[O-] ZINC001042372482 815898181 /nfs/dbraw/zinc/89/81/81/815898181.db2.gz IVCQBESUJLIVJP-MRVPVSSYSA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001042517487 815934354 /nfs/dbraw/zinc/93/43/54/815934354.db2.gz UCPNWFPKVSKTTP-UHFFFAOYSA-N -1 0 305.342 -0.491 20 0 DBADRM CCn1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001042549521 815947907 /nfs/dbraw/zinc/94/79/07/815947907.db2.gz LSQNJEFYLJCZCV-UHFFFAOYSA-N -1 0 305.342 -0.317 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)CCC3CC3)C2)c1[O-] ZINC001042573109 815956174 /nfs/dbraw/zinc/95/61/74/815956174.db2.gz WUIMJKCJNVQOTJ-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC3(C)C)C2)c1[O-] ZINC001042573079 815956273 /nfs/dbraw/zinc/95/62/73/815956273.db2.gz VOCFWEDZJPLCNO-VIFPVBQESA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)c3ccon3)C2)c1[O-] ZINC001042572900 815956325 /nfs/dbraw/zinc/95/63/25/815956325.db2.gz SHSKRIDBHLISCN-UHFFFAOYSA-N -1 0 321.293 -0.971 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)CC3CCC3)C2)c1[O-] ZINC001042573301 815957404 /nfs/dbraw/zinc/95/74/04/815957404.db2.gz YVBSOYSICQPKPG-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN([C@H](C)c3nnnn3C)C2)c1[O-] ZINC001042619667 815970026 /nfs/dbraw/zinc/97/00/26/815970026.db2.gz HGPQROGDYZUYTQ-MRVPVSSYSA-N -1 0 320.357 -0.535 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN([C@@H]3CCN(C)C3=O)C2)c1[O-] ZINC001042619921 815970139 /nfs/dbraw/zinc/97/01/39/815970139.db2.gz RCFCQCLQLVQWCA-SNVBAGLBSA-N -1 0 307.354 -0.589 20 0 DBADRM Cc1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)ncn1 ZINC001042626070 815970926 /nfs/dbraw/zinc/97/09/26/815970926.db2.gz XJYAQANWQHLLTM-UHFFFAOYSA-N -1 0 303.326 -0.435 20 0 DBADRM COc1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001042640679 815977868 /nfs/dbraw/zinc/97/78/68/815977868.db2.gz ZJFONDNOOLZKRX-UHFFFAOYSA-N -1 0 308.298 -0.537 20 0 DBADRM CN(C(=O)Cc1ccn(C)n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042711302 816004086 /nfs/dbraw/zinc/00/40/86/816004086.db2.gz QBYPIXXITUKUIM-UHFFFAOYSA-N -1 0 305.342 -0.871 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(Cc2ccns2)C1 ZINC001043230984 816149339 /nfs/dbraw/zinc/14/93/39/816149339.db2.gz LYJIRJVCLYCBQK-UHFFFAOYSA-N -1 0 322.350 -0.304 20 0 DBADRM Cc1cc(CN2CC(N(C)C(=O)c3n[nH]c(=O)[n-]c3=O)C2)no1 ZINC001043232340 816149346 /nfs/dbraw/zinc/14/93/46/816149346.db2.gz AMOCDOSIDJKPHR-UHFFFAOYSA-N -1 0 320.309 -0.464 20 0 DBADRM CN(C(=O)C[C@@H]1CCCC(=O)N1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043287904 816156221 /nfs/dbraw/zinc/15/62/21/816156221.db2.gz AOCAYLAYBIEVMO-VIFPVBQESA-N -1 0 322.369 -0.788 20 0 DBADRM CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043383870 816176277 /nfs/dbraw/zinc/17/62/77/816176277.db2.gz UWVQUGIAPYWALH-XHVZSJERSA-N -1 0 321.381 -0.032 20 0 DBADRM CO[C@@H](C)CN1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001043509358 816206622 /nfs/dbraw/zinc/20/66/22/816206622.db2.gz CZUWJOFATMLAFO-VIFPVBQESA-N -1 0 310.354 -0.723 20 0 DBADRM C[C@H](F)CCN1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001043511648 816207739 /nfs/dbraw/zinc/20/77/39/816207739.db2.gz XADDSCLHPLGMRF-VIFPVBQESA-N -1 0 312.345 -0.010 20 0 DBADRM C[C@H]1COCC[C@@H]1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043800665 816273445 /nfs/dbraw/zinc/27/34/45/816273445.db2.gz XPFYOBXKQHAVLB-ONGXEEELSA-N -1 0 309.370 -0.175 20 0 DBADRM C[C@@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001043940454 816322673 /nfs/dbraw/zinc/32/26/73/816322673.db2.gz XIKGZXDMYHUOHH-SCZZXKLOSA-N -1 0 322.369 -0.932 20 0 DBADRM C[C@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001043940458 816322910 /nfs/dbraw/zinc/32/29/10/816322910.db2.gz XIKGZXDMYHUOHH-WPRPVWTQSA-N -1 0 322.369 -0.932 20 0 DBADRM Cc1ccnn1CC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043987764 816330496 /nfs/dbraw/zinc/33/04/96/816330496.db2.gz IDMPRNFQVFKDAU-UHFFFAOYSA-N -1 0 305.342 -0.642 20 0 DBADRM CCC(=O)N1CC(O)(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001043987505 816330926 /nfs/dbraw/zinc/33/09/26/816330926.db2.gz JAAICBDWEDPXKS-UHFFFAOYSA-N -1 0 320.305 -0.359 20 0 DBADRM COCCN1CC(N(C)C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001044019216 816336598 /nfs/dbraw/zinc/33/65/98/816336598.db2.gz UBAYQHRGMPAUJK-UHFFFAOYSA-N -1 0 305.338 -0.575 20 0 DBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CN(CCF)C1 ZINC001044062099 816347076 /nfs/dbraw/zinc/34/70/76/816347076.db2.gz XLRWIGKJBAUMOR-UHFFFAOYSA-N -1 0 308.317 -0.817 20 0 DBADRM Cc1nn(C)c(F)c1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044241527 816391050 /nfs/dbraw/zinc/39/10/50/816391050.db2.gz FRDFMQVTZBJZMN-UHFFFAOYSA-N -1 0 323.332 -0.352 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C[C@H]3C[C@H]3C)C2)c1[O-] ZINC001045744316 816686494 /nfs/dbraw/zinc/68/64/94/816686494.db2.gz LULUHGYNRMFCBW-PSASIEDQSA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3[C@@H](C)C(N)=O)c1[O-] ZINC001045755966 816689049 /nfs/dbraw/zinc/68/90/49/816689049.db2.gz MDBVSSJHPJDBDL-AXFHLTTASA-N -1 0 321.381 -0.024 20 0 DBADRM O=C(c1cnon1)N1CC[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001045866738 816699928 /nfs/dbraw/zinc/69/99/28/816699928.db2.gz JKJLFURFMJUYBM-BDAKNGLRSA-N -1 0 319.325 -0.228 20 0 DBADRM Cn1cc(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001046132610 816762202 /nfs/dbraw/zinc/76/22/02/816762202.db2.gz GGPGQSWTCAKJRU-ZDUSSCGKSA-N -1 0 305.342 -0.362 20 0 DBADRM Cc1c(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001046147002 816765183 /nfs/dbraw/zinc/76/51/83/816765183.db2.gz LVFPSOARAIZFPX-CQSZACIVSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@@]1(NC(=O)c2cnsn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046169370 816770446 /nfs/dbraw/zinc/77/04/46/816770446.db2.gz SMRAZURAHCAWKC-LLVKDONJSA-N -1 0 309.355 -0.244 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN(CC(=O)N(C)C)C2)c1[O-] ZINC001046241156 816791210 /nfs/dbraw/zinc/79/12/10/816791210.db2.gz ZYBSHJXGTTUOMI-CQSZACIVSA-N -1 0 309.370 -0.294 20 0 DBADRM CNC(=O)[C@H](C)N1CC[C@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001046240003 816791617 /nfs/dbraw/zinc/79/16/17/816791617.db2.gz OLEAVSLANZPJQO-XPTSAGLGSA-N -1 0 309.370 -0.248 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN([C@H]3CCNC3=O)C2)c1[O-] ZINC001046246671 816792717 /nfs/dbraw/zinc/79/27/17/816792717.db2.gz MQAGFUAYCOZLHI-LKFCYVNXSA-N -1 0 307.354 -0.494 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(Cc3cnnn3C)C2)c1[O-] ZINC001046245838 816793087 /nfs/dbraw/zinc/79/30/87/816793087.db2.gz DMNPHJKBJRERKP-AWEZNQCLSA-N -1 0 319.369 -0.053 20 0 DBADRM Cn1ncc(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)c1N ZINC001046259243 816797017 /nfs/dbraw/zinc/79/70/17/816797017.db2.gz HMORZVAXPFEUEA-ZDUSSCGKSA-N -1 0 320.357 -0.780 20 0 DBADRM C[C@]1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(Cc2cnon2)C1 ZINC001046453785 816854311 /nfs/dbraw/zinc/85/43/11/816854311.db2.gz JTMBROJXKBMHCO-LBPRGKRZSA-N -1 0 321.297 -0.940 20 0 DBADRM COc1nc(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001046518030 816866922 /nfs/dbraw/zinc/86/69/22/816866922.db2.gz HAIRCGAUDIMXSG-ZDUSSCGKSA-N -1 0 322.325 -0.099 20 0 DBADRM C[C@@]1(NC(=O)c2n[nH]cc2F)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046600287 816902524 /nfs/dbraw/zinc/90/25/24/816902524.db2.gz LSCYOKYCXFYACC-GFCCVEGCSA-N -1 0 309.305 -0.233 20 0 DBADRM Cn1ncc(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001046702127 816926121 /nfs/dbraw/zinc/92/61/21/816926121.db2.gz LLEXNWCWRVDSEY-LBPRGKRZSA-N -1 0 306.330 -0.967 20 0 DBADRM Cn1ccc(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001046838823 816959773 /nfs/dbraw/zinc/95/97/73/816959773.db2.gz LYGXBMHENOWMMZ-ZDUSSCGKSA-N -1 0 305.342 -0.362 20 0 DBADRM CN(C(=O)c1ccsc1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047292655 817041109 /nfs/dbraw/zinc/04/11/09/817041109.db2.gz LAHWQCKKTYCXFU-UWVGGRQHSA-N -1 0 323.378 -0.111 20 0 DBADRM CN(C(=O)[C@H]1CC=CCC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047296725 817044444 /nfs/dbraw/zinc/04/44/44/817044444.db2.gz QWNJONSGVFIGSY-SRVKXCTJSA-N -1 0 321.381 -0.130 20 0 DBADRM Cc1cc[nH]c1C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047368894 817092167 /nfs/dbraw/zinc/09/21/67/817092167.db2.gz XXQZDHSTQYVRMP-UWVGGRQHSA-N -1 0 320.353 -0.536 20 0 DBADRM CN(C(=O)c1cc[nH]c1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047392115 817104576 /nfs/dbraw/zinc/10/45/76/817104576.db2.gz XSQZSBGRCNFALK-UWVGGRQHSA-N -1 0 306.326 -0.844 20 0 DBADRM O=C(c1cc[nH]n1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048692615 817401925 /nfs/dbraw/zinc/40/19/25/817401925.db2.gz FZAXOFNIAYYUJD-DTORHVGOSA-N -1 0 303.326 -0.563 20 0 DBADRM O=C([C@@H]1CCCCO1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048767578 817429272 /nfs/dbraw/zinc/42/92/72/817429272.db2.gz CXJQWADFOOBAOK-TUAOUCFPSA-N -1 0 321.381 -0.030 20 0 DBADRM O=C(CC1(O)CCC1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048810217 817446419 /nfs/dbraw/zinc/44/64/19/817446419.db2.gz IVHHXQLNMSNPEE-PHIMTYICSA-N -1 0 321.381 -0.294 20 0 DBADRM Cc1c[nH]c(C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)n1 ZINC001049105641 817529845 /nfs/dbraw/zinc/52/98/45/817529845.db2.gz LLXCYMBMQZZBRG-AOOOYVTPSA-N -1 0 317.353 -0.254 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3CC(N)=O)c1[O-] ZINC001049422233 817592128 /nfs/dbraw/zinc/59/21/28/817592128.db2.gz GVDPUIMOGHAPBN-ZJUUUORDSA-N -1 0 307.354 -0.412 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCN(C(=O)C2CC2)C1 ZINC001049684157 817626500 /nfs/dbraw/zinc/62/65/00/817626500.db2.gz DLTUTYWJLSNBQR-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM CNC(=O)CN1C[C@@H]2CCCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001050024102 817666314 /nfs/dbraw/zinc/66/63/14/817666314.db2.gz BTBMDXWMKOMZRJ-WDEREUQCSA-N -1 0 321.381 -0.294 20 0 DBADRM O=C(c1ncc[nH]1)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001050042576 817670230 /nfs/dbraw/zinc/67/02/30/817670230.db2.gz YPYVSQCVKVEOQI-VHSXEESVSA-N -1 0 317.353 -0.030 20 0 DBADRM O=C(c1cc[nH]n1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001050440548 817715832 /nfs/dbraw/zinc/71/58/32/817715832.db2.gz HGJWVDHJWUVYDP-UHFFFAOYSA-N -1 0 317.353 -0.028 20 0 DBADRM O=C(c1ncc[nH]1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001050514657 817724800 /nfs/dbraw/zinc/72/48/00/817724800.db2.gz RRFNHLIBGXGQEF-UHFFFAOYSA-N -1 0 317.353 -0.028 20 0 DBADRM CC(=O)NC[C@H]1COCCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC001050776458 817755190 /nfs/dbraw/zinc/75/51/90/817755190.db2.gz KBAVTIJXBRPSTB-LBPRGKRZSA-N -1 0 305.338 -0.641 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ccc[nH]1 ZINC001050817415 817765254 /nfs/dbraw/zinc/76/52/54/817765254.db2.gz JKBUWTZEFZFVOG-SECBINFHSA-N -1 0 306.326 -0.531 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1cscn1 ZINC001050848104 817776936 /nfs/dbraw/zinc/77/69/36/817776936.db2.gz YDZBMQPYNXMTSX-QMMMGPOBSA-N -1 0 324.366 -0.402 20 0 DBADRM Cc1[nH]ccc1C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001050867206 817780422 /nfs/dbraw/zinc/78/04/22/817780422.db2.gz FKDITTINXQYRJO-SNVBAGLBSA-N -1 0 320.353 -0.222 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2COCCN2C[C@@H]2CCOC2)c1[O-] ZINC001050866629 817780844 /nfs/dbraw/zinc/78/08/44/817780844.db2.gz YWBPTDBZJRXJGQ-NWDGAFQWSA-N -1 0 324.381 -0.109 20 0 DBADRM CO[C@H](C)CN1CCOC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001050875454 817782487 /nfs/dbraw/zinc/78/24/87/817782487.db2.gz BZSKOMJOGPGAQX-MWLCHTKSSA-N -1 0 312.370 -0.111 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001050883331 817783391 /nfs/dbraw/zinc/78/33/91/817783391.db2.gz VODYORWETANSHK-UWVGGRQHSA-N -1 0 309.370 -0.127 20 0 DBADRM O=C(NC[C@@H]1COCCN1CC1CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001051006090 817821263 /nfs/dbraw/zinc/82/12/63/817821263.db2.gz JRNDMDGCNUOKDE-SNVBAGLBSA-N -1 0 323.353 -0.487 20 0 DBADRM O=C(NC[C@@H]1COCCN1CC1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001051008821 817821851 /nfs/dbraw/zinc/82/18/51/817821851.db2.gz BBQSCVGHCBFOGC-SECBINFHSA-N -1 0 309.326 -0.877 20 0 DBADRM CC(C)CN1CCOC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC001051062912 817835282 /nfs/dbraw/zinc/83/52/82/817835282.db2.gz PDJPVMCVFWEKHL-LLVKDONJSA-N -1 0 324.381 -0.428 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001051123005 817850613 /nfs/dbraw/zinc/85/06/13/817850613.db2.gz MQOLQIJQJOTQJW-GMTAPVOTSA-N -1 0 309.370 -0.127 20 0 DBADRM Cc1nc[nH]c1C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001051270760 817894928 /nfs/dbraw/zinc/89/49/28/817894928.db2.gz XRKIFQDMZKOLEY-VIFPVBQESA-N -1 0 321.341 -0.827 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(c3ncccn3)C[C@@H]2O)c1[O-] ZINC001051670034 817993676 /nfs/dbraw/zinc/99/36/76/817993676.db2.gz SWSUTKBCRAWFRP-UWVGGRQHSA-N -1 0 318.337 -0.417 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NCc3nnn(C)n3)[C@@H](C)C2)c1[O-] ZINC001054569729 818140875 /nfs/dbraw/zinc/14/08/75/818140875.db2.gz GQUXQLYIQFXRTK-CBAPKCEASA-N -1 0 320.357 -0.802 20 0 DBADRM Cc1nccc(N2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)n1 ZINC001056081737 818365990 /nfs/dbraw/zinc/36/59/90/818365990.db2.gz DYHVXMYQFYGJDM-UHFFFAOYSA-N -1 0 317.309 -0.656 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@H]2C[C@H]2C)c1[O-] ZINC001057353597 818696160 /nfs/dbraw/zinc/69/61/60/818696160.db2.gz AKSYVZCTMKZTJD-SCZZXKLOSA-N -1 0 310.354 -0.370 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)C2CC=CC2)c1[O-] ZINC001057353920 818697160 /nfs/dbraw/zinc/69/71/60/818697160.db2.gz HNRZNAABYSDSBR-UHFFFAOYSA-N -1 0 322.365 -0.059 20 0 DBADRM O=C(N[C@H]1CCN(c2nccnc2F)C1)c1n[nH]c(=O)[n-]c1=O ZINC001058604235 819005648 /nfs/dbraw/zinc/00/56/48/819005648.db2.gz TUEJSBDSOXYXPB-LURJTMIESA-N -1 0 321.272 -0.779 20 0 DBADRM CCC(=O)N1CC[C@@H](CCNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001058952011 819089622 /nfs/dbraw/zinc/08/96/22/819089622.db2.gz HALUUZBRWBRDMI-SECBINFHSA-N -1 0 311.342 -0.546 20 0 DBADRM CCC(=O)N1CC[C@@H](CCNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001058960684 819090879 /nfs/dbraw/zinc/09/08/79/819090879.db2.gz ORIPQBSYTNWVBH-SNVBAGLBSA-N -1 0 322.365 -0.136 20 0 DBADRM CC(=O)N1CC[C@@H](CCNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001058980414 819093711 /nfs/dbraw/zinc/09/37/11/819093711.db2.gz MEKUCTNBDYUQEU-SNVBAGLBSA-N -1 0 323.353 -0.410 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](Nc2cc(F)ncn2)C1 ZINC001059118579 819111466 /nfs/dbraw/zinc/11/14/66/819111466.db2.gz QBMZVZHWTWZVLF-LURJTMIESA-N -1 0 321.272 -0.462 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](CCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001059178483 819117661 /nfs/dbraw/zinc/11/76/61/819117661.db2.gz TZGMKZJMEGSELX-SECBINFHSA-N -1 0 323.353 -0.093 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](Nc2cc(F)ncn2)C1 ZINC001059270969 819127146 /nfs/dbraw/zinc/12/71/46/819127146.db2.gz ZVUOEHWLWYMAHN-LJGSYFOKSA-N -1 0 323.288 -0.622 20 0 DBADRM O=C(N[C@H]1C[C@H](Nc2nccnc2F)C1)c1n[nH]c(=O)[n-]c1=O ZINC001059468285 819146871 /nfs/dbraw/zinc/14/68/71/819146871.db2.gz FKBDTYHQDSXHFP-IZLXSQMJSA-N -1 0 321.272 -0.415 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](Nc2cccc(F)n2)C1 ZINC001059689363 819167344 /nfs/dbraw/zinc/16/73/44/819167344.db2.gz LIRGGZXQAHQREI-OCAPTIKFSA-N -1 0 322.300 -0.017 20 0 DBADRM O=C(N[C@H]1C[C@@H](Nc2cc(F)ncn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001059882550 819183561 /nfs/dbraw/zinc/18/35/61/819183561.db2.gz TZJQYTNXCBOOQA-OLQVQODUSA-N -1 0 321.272 -0.415 20 0 DBADRM O=C(NCC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC001060002142 819190073 /nfs/dbraw/zinc/19/00/73/819190073.db2.gz ODXLJRBLWQCAIE-QMMMGPOBSA-N -1 0 321.337 -0.339 20 0 DBADRM CCC(=O)NCC[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001060041983 819192430 /nfs/dbraw/zinc/19/24/30/819192430.db2.gz JRKFGNDMIOJYQM-SECBINFHSA-N -1 0 311.342 -0.546 20 0 DBADRM O=C(NC[C@H]1CCCN1c1ncccn1)c1n[nH]c(=O)[n-]c1=O ZINC001061487694 819338970 /nfs/dbraw/zinc/33/89/70/819338970.db2.gz OUXCOGPPEMWLGN-MRVPVSSYSA-N -1 0 317.309 -0.528 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCCCN1C(=O)C1CC1 ZINC001061955281 819440813 /nfs/dbraw/zinc/44/08/13/819440813.db2.gz IRTXRVABFJZIQD-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM CCC(=O)NC[C@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001062292577 819464728 /nfs/dbraw/zinc/46/47/28/819464728.db2.gz HHYZBQCOWHQRCB-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM O=C(NC1(CNC(=O)C2CC2)CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001062377914 819475548 /nfs/dbraw/zinc/47/55/48/819475548.db2.gz VGHHRXUCAXGWTM-UHFFFAOYSA-N -1 0 307.310 -0.539 20 0 DBADRM CC(C)C(=O)NCC1(NC(=O)c2cnc([O-])n(C)c2=O)CCC1 ZINC001062565684 819505891 /nfs/dbraw/zinc/50/58/91/819505891.db2.gz BRHSLAJKOSDCGL-UHFFFAOYSA-N -1 0 322.365 -0.089 20 0 DBADRM C/C=C(/C)C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001062776193 819540919 /nfs/dbraw/zinc/54/09/19/819540919.db2.gz DJFSPRDPQCDSEQ-OQFOIZHKSA-N -1 0 323.353 -0.189 20 0 DBADRM CNC(=O)CC(=O)NCC1(NC(=O)c2[nH]nc(C)c2[O-])CCC1 ZINC001062842770 819547419 /nfs/dbraw/zinc/54/74/19/819547419.db2.gz DNDRROXKSUVQLN-UHFFFAOYSA-N -1 0 323.353 -0.671 20 0 DBADRM CC(=O)NC1(CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001063586765 819617435 /nfs/dbraw/zinc/61/74/35/819617435.db2.gz FGOKPNGCAMZSPE-UHFFFAOYSA-N -1 0 309.326 -0.610 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(c3ncccn3)CCO2)c1[O-] ZINC001063623108 819623867 /nfs/dbraw/zinc/62/38/67/819623867.db2.gz PTKFYKXHTBBQTK-SNVBAGLBSA-N -1 0 318.337 -0.151 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001063866105 819641659 /nfs/dbraw/zinc/64/16/59/819641659.db2.gz WLPPYLSDFWWHCT-DTWKUNHWSA-N -1 0 323.353 -0.500 20 0 DBADRM COCC(=O)N[C@@H]1COC2(CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC001068652619 820222392 /nfs/dbraw/zinc/22/23/92/820222392.db2.gz QKPIJGVITAWKES-VIFPVBQESA-N -1 0 324.337 -0.830 20 0 DBADRM C[C@H]1C[C@H](Nc2ncccn2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001069130568 820286299 /nfs/dbraw/zinc/28/62/99/820286299.db2.gz RDAHLDOOGBCUKJ-IUCAKERBSA-N -1 0 319.325 -0.419 20 0 DBADRM CCC(=O)N1CCC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001070337393 820446810 /nfs/dbraw/zinc/44/68/10/820446810.db2.gz CVTJMXTYEACPIN-SECBINFHSA-N -1 0 323.353 -0.267 20 0 DBADRM CNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001070620299 820513320 /nfs/dbraw/zinc/51/33/20/820513320.db2.gz HSTYJPLYYCNEGQ-SECBINFHSA-N -1 0 323.353 -0.719 20 0 DBADRM CCC(=O)N1CCC(=O)NCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001070925321 820563661 /nfs/dbraw/zinc/56/36/61/820563661.db2.gz MIMOBCADNQHUBZ-UHFFFAOYSA-N -1 0 310.358 -0.929 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001071058191 820614016 /nfs/dbraw/zinc/61/40/16/820614016.db2.gz DSIDELVZYQKBLO-KSXVILFYSA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)c2ncn(C)n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071486724 820695677 /nfs/dbraw/zinc/69/56/77/820695677.db2.gz BJAXETGVJXPJMK-RKDXNWHRSA-N -1 0 320.357 -0.578 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001071734878 820763120 /nfs/dbraw/zinc/76/31/20/820763120.db2.gz CFEWJEXFCSSUOP-VXNVDRBHSA-N -1 0 320.357 -0.280 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)c2cnn(C)n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071893694 820801353 /nfs/dbraw/zinc/80/13/53/820801353.db2.gz RJLFEEMXNNOKTJ-RKDXNWHRSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)c2cnn(C)n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071893690 820801601 /nfs/dbraw/zinc/80/16/01/820801601.db2.gz RJLFEEMXNNOKTJ-DTWKUNHWSA-N -1 0 320.357 -0.578 20 0 DBADRM CNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C ZINC001071909154 820804112 /nfs/dbraw/zinc/80/41/12/820804112.db2.gz HTWSPEWDNLPYLC-VXNVDRBHSA-N -1 0 323.353 -0.863 20 0 DBADRM CNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1C ZINC001071909153 820804950 /nfs/dbraw/zinc/80/49/50/820804950.db2.gz HTWSPEWDNLPYLC-IONNQARKSA-N -1 0 323.353 -0.863 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)c2nnc[nH]2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071912088 820806831 /nfs/dbraw/zinc/80/68/31/820806831.db2.gz WFWRJYDBAGPXHA-JGVFFNPUSA-N -1 0 306.330 -0.589 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1CCF ZINC001072026357 820849322 /nfs/dbraw/zinc/84/93/22/820849322.db2.gz HLMYEMVJTFGYEA-IUCAKERBSA-N -1 0 301.322 -0.372 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)Cn2cncn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001072052974 820853899 /nfs/dbraw/zinc/85/38/99/820853899.db2.gz QOCAFKPHGSGXFY-ZJUUUORDSA-N -1 0 320.357 -0.729 20 0 DBADRM CC(C)=CC(=O)N[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001072483234 820929326 /nfs/dbraw/zinc/92/93/26/820929326.db2.gz FOHAJFYZPNPLIU-ZJUUUORDSA-N -1 0 323.353 -0.381 20 0 DBADRM CCCC(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC001072496186 820932266 /nfs/dbraw/zinc/93/22/66/820932266.db2.gz PPXSUEGAAGTQFE-GXSJLCMTSA-N -1 0 322.365 -0.137 20 0 DBADRM CCO[C@H]1C[C@@H]1C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072506825 820935730 /nfs/dbraw/zinc/93/57/30/820935730.db2.gz ZXGZZIJVBPAFMG-QWRGUYRKSA-N -1 0 321.381 -0.030 20 0 DBADRM O=C(C[C@H]1CCOC1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072573240 820956399 /nfs/dbraw/zinc/95/63/99/820956399.db2.gz YXIIBSVPKOKYPZ-LLVKDONJSA-N -1 0 321.381 -0.029 20 0 DBADRM CO[C@@H](C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2)C1CC1 ZINC001072686873 820988773 /nfs/dbraw/zinc/98/87/73/820988773.db2.gz YWSAUITVINFRAT-GFCCVEGCSA-N -1 0 321.381 -0.030 20 0 DBADRM O=C(c1cccnn1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001073071231 821083550 /nfs/dbraw/zinc/08/35/50/821083550.db2.gz MBEXUPPPSTTZEV-UHFFFAOYSA-N -1 0 315.337 -0.352 20 0 DBADRM O=C(c1ncccn1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001073068732 821083860 /nfs/dbraw/zinc/08/38/60/821083860.db2.gz BXTISVZAWSWYDT-UHFFFAOYSA-N -1 0 315.337 -0.352 20 0 DBADRM O=C(Cc1ncc[nH]1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001073079748 821085921 /nfs/dbraw/zinc/08/59/21/821085921.db2.gz VCDINKXZHKOOGL-UHFFFAOYSA-N -1 0 317.353 -0.490 20 0 DBADRM CC(C)C(=O)N1CC[C@@H]2OCCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001074175478 821298650 /nfs/dbraw/zinc/29/86/50/821298650.db2.gz VGQJYCWPMNLXLC-MNOVXSKESA-N -1 0 309.370 -0.032 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]3OCCN(CCCO)[C@H]3C2)c1[O-] ZINC001074219553 821311348 /nfs/dbraw/zinc/31/13/48/821311348.db2.gz QZXPZTXILRPTHM-RYUDHWBXSA-N -1 0 324.381 -0.279 20 0 DBADRM CCN1CCO[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001074286707 821328326 /nfs/dbraw/zinc/32/83/26/821328326.db2.gz QFBJBWKTMDHLFQ-BDAKNGLRSA-N -1 0 309.326 -0.782 20 0 DBADRM CCN1CCO[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC001074286709 821328443 /nfs/dbraw/zinc/32/84/43/821328443.db2.gz QFBJBWKTMDHLFQ-IUCAKERBSA-N -1 0 309.326 -0.782 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001075059033 821482155 /nfs/dbraw/zinc/48/21/55/821482155.db2.gz YHRFMQNSYTVKOH-WCBMZHEXSA-N -1 0 323.353 -0.269 20 0 DBADRM CSCC(=O)NCC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001075520578 821533104 /nfs/dbraw/zinc/53/31/04/821533104.db2.gz KSDSGFBNWJNYMP-ZETCQYMHSA-N -1 0 317.371 -0.937 20 0 DBADRM C[C@@H](CCNC(=O)c1ccc[nH]1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001075588105 821552312 /nfs/dbraw/zinc/55/23/12/821552312.db2.gz RPUIHPIKJCOUPT-QMMMGPOBSA-N -1 0 322.325 -0.658 20 0 DBADRM Cn1cncc1C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075996928 821646331 /nfs/dbraw/zinc/64/63/31/821646331.db2.gz GWMIABQAOZGHAI-GXSJLCMTSA-N -1 0 317.353 -0.410 20 0 DBADRM C/C=C(/C)C(=O)NCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001076092651 821663285 /nfs/dbraw/zinc/66/32/85/821663285.db2.gz NGXYLXFYVSDMMU-NZGHECTNSA-N -1 0 309.326 -0.126 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076118257 821667422 /nfs/dbraw/zinc/66/74/22/821667422.db2.gz OVTCGIIOSHXMGI-DTWKUNHWSA-N -1 0 318.341 -0.717 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)Cn2cncn2)c1[O-] ZINC001076167859 821678083 /nfs/dbraw/zinc/67/80/83/821678083.db2.gz QLPCSOJSVDJKKS-QMMMGPOBSA-N -1 0 321.341 -0.660 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H]1CC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001076176061 821678965 /nfs/dbraw/zinc/67/89/65/821678965.db2.gz FVLGUZSYKZWJMP-YUMQZZPRSA-N -1 0 323.353 -0.047 20 0 DBADRM CNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001076254975 821703963 /nfs/dbraw/zinc/70/39/63/821703963.db2.gz YIWRCQWKYZPNRW-ZETCQYMHSA-N -1 0 311.342 -0.816 20 0 DBADRM Cc1ccccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076700762 821813229 /nfs/dbraw/zinc/81/32/29/821813229.db2.gz UDBNENYEMROZSD-VXGBXAGGSA-N -1 0 317.349 -0.206 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c(C)o1 ZINC001076732370 821828224 /nfs/dbraw/zinc/82/82/24/821828224.db2.gz IKKRJWYONFJKCJ-GHMZBOCLSA-N -1 0 321.337 -0.305 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CCn3cccn3)C[C@H]2O)c1[O-] ZINC001076882326 821902896 /nfs/dbraw/zinc/90/28/96/821902896.db2.gz FEEGUVJFCWFSDL-GHMZBOCLSA-N -1 0 320.353 -0.905 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nccn3C)C[C@H]2O)c1[O-] ZINC001076890238 821907866 /nfs/dbraw/zinc/90/78/66/821907866.db2.gz QOOUNAQEEQCFFA-NXEZZACHSA-N -1 0 320.353 -0.868 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3conc3C)C[C@H]2O)c1[O-] ZINC001076890105 821908511 /nfs/dbraw/zinc/90/85/11/821908511.db2.gz JUTLZIVSYALJJK-GHMZBOCLSA-N -1 0 321.337 -0.305 20 0 DBADRM Cc1ncc(CN2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)o1 ZINC001076892875 821910737 /nfs/dbraw/zinc/91/07/37/821910737.db2.gz TYBGWCFMBGVMNS-GHMZBOCLSA-N -1 0 321.337 -0.305 20 0 DBADRM CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077532980 822141810 /nfs/dbraw/zinc/14/18/10/822141810.db2.gz ZJMIIWIMRJFOCX-GMTAPVOTSA-N -1 0 323.397 -0.002 20 0 DBADRM CC(C)(C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC1 ZINC001077544931 822146866 /nfs/dbraw/zinc/14/68/66/822146866.db2.gz KNACCXHOAJCZRN-NXEZZACHSA-N -1 0 309.370 -0.392 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC1(C)C ZINC001077578018 822159377 /nfs/dbraw/zinc/15/93/77/822159377.db2.gz ISRYUHKTIXKHMJ-JGVFFNPUSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001077578114 822159469 /nfs/dbraw/zinc/15/94/69/822159469.db2.gz MNPDEYWOGFKSOQ-JGVFFNPUSA-N -1 0 323.353 -0.047 20 0 DBADRM CCc1ccoc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077627376 822171004 /nfs/dbraw/zinc/17/10/04/822171004.db2.gz OBHCGWDUGBEWSH-NXEZZACHSA-N -1 0 321.337 -0.359 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccco1 ZINC001077663545 822182286 /nfs/dbraw/zinc/18/22/86/822182286.db2.gz SXIUEKURSVYCSI-OPRDCNLKSA-N -1 0 321.337 -0.432 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1cnco1 ZINC001077681121 822188645 /nfs/dbraw/zinc/18/86/45/822188645.db2.gz LFESSVKRYPDBEI-ZETCQYMHSA-N -1 0 324.297 -0.998 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077680896 822188764 /nfs/dbraw/zinc/18/87/64/822188764.db2.gz BOVLXBRWOOFCGM-JGVFFNPUSA-N -1 0 317.321 -0.552 20 0 DBADRM C[C@@H](CCNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001077709306 822198662 /nfs/dbraw/zinc/19/86/62/822198662.db2.gz JLYJUKRUEQASPC-GUBZILKMSA-N -1 0 322.365 -0.234 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(CC(=O)NCC(C)C)CC2)c1[O-] ZINC001112768377 828405380 /nfs/dbraw/zinc/40/53/80/828405380.db2.gz YSNMBHFNCRAHBW-UHFFFAOYSA-N -1 0 323.397 -0.046 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@H]1CC12CCCC2 ZINC001077952152 822287928 /nfs/dbraw/zinc/28/79/28/822287928.db2.gz TVQGHULUVXWCOL-GMTAPVOTSA-N -1 0 321.381 -0.248 20 0 DBADRM Cc1ccnc(N[C@@H](C)[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001113110155 828458819 /nfs/dbraw/zinc/45/88/19/828458819.db2.gz NPSVOIFPTZYICW-BDAKNGLRSA-N -1 0 321.341 -0.207 20 0 DBADRM Cc1cc(N[C@H](C)[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001113110719 828459094 /nfs/dbraw/zinc/45/90/94/828459094.db2.gz WFFWUDMDIVHEQN-BDAKNGLRSA-N -1 0 321.341 -0.207 20 0 DBADRM Cc1nccc(N[C@@H](C)[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001113109828 828459192 /nfs/dbraw/zinc/45/91/92/828459192.db2.gz ITURXBDAEDSPPD-JGVFFNPUSA-N -1 0 321.341 -0.207 20 0 DBADRM O=C(COCC(F)F)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113149415 828462045 /nfs/dbraw/zinc/46/20/45/828462045.db2.gz MDHKMVHDLSJRRK-UHFFFAOYSA-N -1 0 305.285 -0.564 20 0 DBADRM C[C@H](O)CCCN1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001113181706 828465880 /nfs/dbraw/zinc/46/58/80/828465880.db2.gz CGMDAHXMPLJFAI-NSHDSACASA-N -1 0 324.381 -0.595 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113371062 828489739 /nfs/dbraw/zinc/48/97/39/828489739.db2.gz JQVIIRJMSSJPAP-SNVBAGLBSA-N -1 0 310.358 -0.931 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)Nc1ncccn1 ZINC001113364871 828488862 /nfs/dbraw/zinc/48/88/62/828488862.db2.gz VJCVCJANFBDXSI-RQJHMYQMSA-N -1 0 305.298 -0.308 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)Nc1ncc(F)cn1 ZINC001113364378 828489049 /nfs/dbraw/zinc/48/90/49/828489049.db2.gz MYZLLNLXRZVPSF-RITPCOANSA-N -1 0 323.288 -0.169 20 0 DBADRM Cc1nccc(N(C)[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001113682155 828538605 /nfs/dbraw/zinc/53/86/05/828538605.db2.gz SPFGTBUJCWBAQU-MRVPVSSYSA-N -1 0 321.341 -0.571 20 0 DBADRM CCN(C(=O)CC1CC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001079194214 823849404 /nfs/dbraw/zinc/84/94/04/823849404.db2.gz NJCUVADRYCNMEF-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM Cc1ncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)[nH]1 ZINC001079497510 823901703 /nfs/dbraw/zinc/90/17/03/823901703.db2.gz IBIANLXDCMBPJO-GMSGAONNSA-N -1 0 305.342 -0.208 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C[C@@H]1CCOC1 ZINC001079513588 823903681 /nfs/dbraw/zinc/90/36/81/823903681.db2.gz CGEAOEIYSDOODI-OUAUKWLOSA-N -1 0 309.370 -0.127 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ncnn3C)C[C@H]2C)c1[O-] ZINC001079579595 823917839 /nfs/dbraw/zinc/91/78/39/823917839.db2.gz PORRVAGXWLXIEO-PSASIEDQSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C[C@H]1COC(=O)C1 ZINC001079573880 823918326 /nfs/dbraw/zinc/91/83/26/823918326.db2.gz QNGFCGRUMPCFEL-OPRDCNLKSA-N -1 0 323.353 -0.600 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1ccnn1C ZINC001079639590 823928902 /nfs/dbraw/zinc/92/89/02/823928902.db2.gz MHVNVFGNXREUIP-MWLCHTKSSA-N -1 0 319.369 -0.577 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1CCCC(=O)N1 ZINC001079922531 823984042 /nfs/dbraw/zinc/98/40/42/823984042.db2.gz DCYZEYYUQLPUKC-OPRDCNLKSA-N -1 0 322.369 -0.885 20 0 DBADRM Cc1nccc(N(C)[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001113967899 828597513 /nfs/dbraw/zinc/59/75/13/828597513.db2.gz MDRUFKLWSZKMPW-ZETCQYMHSA-N -1 0 319.325 -0.364 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C2CCC2)C1 ZINC001080200980 824011791 /nfs/dbraw/zinc/01/17/91/824011791.db2.gz OUUQPJAXCZDPAI-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM Cc1cnn(C)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001080284810 824024318 /nfs/dbraw/zinc/02/43/18/824024318.db2.gz ZEGRBLRHRHNQBR-NXEZZACHSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@@H](OCC1CC1)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001113993363 828603625 /nfs/dbraw/zinc/60/36/25/828603625.db2.gz WXUJHTKKJCYKPS-GOONRYMUSA-N -1 0 321.381 -0.128 20 0 DBADRM C[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001080775531 824092897 /nfs/dbraw/zinc/09/28/97/824092897.db2.gz NTDYHRVVAYZJJR-VXNVDRBHSA-N -1 0 319.321 -0.536 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccn(C)n1 ZINC001080937642 824111906 /nfs/dbraw/zinc/11/19/06/824111906.db2.gz USSJXNOKACIRMO-PSASIEDQSA-N -1 0 305.342 -0.506 20 0 DBADRM CC(C)=CC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001081226222 824170794 /nfs/dbraw/zinc/17/07/94/824170794.db2.gz SJLNTSFASOMEOE-GHMZBOCLSA-N -1 0 322.365 -0.061 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)C(C)C)C2)c1[O-] ZINC001081273395 824185637 /nfs/dbraw/zinc/18/56/37/824185637.db2.gz MXIFQBHTFFTINJ-UWVGGRQHSA-N -1 0 310.354 -0.371 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccccn1 ZINC001081277761 824187085 /nfs/dbraw/zinc/18/70/85/824187085.db2.gz MDUIBMYOMJSAFY-GHMZBOCLSA-N -1 0 318.337 -0.466 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1CCCO1 ZINC001081326319 824204182 /nfs/dbraw/zinc/20/41/82/824204182.db2.gz LTWGCOJTNXTKGX-OPRDCNLKSA-N -1 0 311.342 -0.995 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H](C)C1CC1 ZINC001081499853 824276339 /nfs/dbraw/zinc/27/63/39/824276339.db2.gz INSTWNCUWUSHOI-JMJZKYOTSA-N -1 0 309.370 -0.128 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001081502124 824277760 /nfs/dbraw/zinc/27/77/60/824277760.db2.gz JSRYOFBTCHSEKA-TUTUZKQUSA-N -1 0 321.381 -0.128 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C3(C)CC3)C2)c1[O-] ZINC001081541871 824289432 /nfs/dbraw/zinc/28/94/32/824289432.db2.gz LXPWNQUFXQKPTR-ZJUUUORDSA-N -1 0 322.365 -0.227 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1[nH]ccc1C ZINC001081611046 824310808 /nfs/dbraw/zinc/31/08/08/824310808.db2.gz NCTCQJWRGSXLOL-NXEZZACHSA-N -1 0 320.353 -0.224 20 0 DBADRM CCC(=O)N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O ZINC001083296880 824531972 /nfs/dbraw/zinc/53/19/72/824531972.db2.gz KWSMCEBCRWPHAA-MNOVXSKESA-N -1 0 305.338 -0.906 20 0 DBADRM O=C(N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O)C1CC1 ZINC001083300712 824533350 /nfs/dbraw/zinc/53/33/50/824533350.db2.gz DCDJBJBEGHWFHB-NEPJUHHUSA-N -1 0 317.349 -0.906 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccsc1 ZINC001083328400 824547448 /nfs/dbraw/zinc/54/74/48/824547448.db2.gz NWLALOWKQAOLJF-BDAKNGLRSA-N -1 0 309.351 -0.453 20 0 DBADRM O=C(C[C@@H]1C=CCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083330845 824548390 /nfs/dbraw/zinc/54/83/90/824548390.db2.gz KTGMMCKVFHQAER-MXWKQRLJSA-N -1 0 307.354 -0.472 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)n1C ZINC001083339570 824554217 /nfs/dbraw/zinc/55/42/17/824554217.db2.gz RNUXKMWQUVJPTL-KOLCDFICSA-N -1 0 320.353 -0.868 20 0 DBADRM Cc1ccn(C)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083429369 824618370 /nfs/dbraw/zinc/61/83/70/824618370.db2.gz XINPBQNBTDSJGF-ZJUUUORDSA-N -1 0 320.353 -0.868 20 0 DBADRM O=C(C[C@H]1CC=CCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083702730 824737603 /nfs/dbraw/zinc/73/76/03/824737603.db2.gz PEYVUQGQMDQUBG-TUAOUCFPSA-N -1 0 321.381 -0.082 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@@H]1CC12CCCC2 ZINC001083921672 824825797 /nfs/dbraw/zinc/82/57/97/824825797.db2.gz TVQGHULUVXWCOL-AXFHLTTASA-N -1 0 321.381 -0.248 20 0 DBADRM COCC1(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CC1 ZINC001114566545 828711791 /nfs/dbraw/zinc/71/17/91/828711791.db2.gz UXZQUIMTWXWOIB-JZYVYDRUSA-N -1 0 307.354 -0.517 20 0 DBADRM O=C(c1n[nH]cc1F)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084639138 824960625 /nfs/dbraw/zinc/96/06/25/824960625.db2.gz GOGORXHJWIDHDP-VXNVDRBHSA-N -1 0 321.316 -0.281 20 0 DBADRM CO[C@@H](C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1CCC1 ZINC001114639253 828720927 /nfs/dbraw/zinc/72/09/27/828720927.db2.gz SVXYOLGTEALDFZ-RSLMWUCJSA-N -1 0 321.381 -0.128 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cnsn1 ZINC001085496885 825026377 /nfs/dbraw/zinc/02/63/77/825026377.db2.gz QRQGXWOJOLWDRH-ZETCQYMHSA-N -1 0 309.355 -0.292 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCCOC1 ZINC001085514556 825030400 /nfs/dbraw/zinc/03/04/00/825030400.db2.gz LNLVUXUNXRLLJE-QWRGUYRKSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCNC(=O)C1 ZINC001085543695 825039989 /nfs/dbraw/zinc/03/99/89/825039989.db2.gz CMMYLDDVFWMMFM-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cn(C)cn1 ZINC001085548139 825040899 /nfs/dbraw/zinc/04/08/99/825040899.db2.gz MURZUUKTTYUGLF-VIFPVBQESA-N -1 0 305.342 -0.410 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2CC(=O)N2CCC2)c1[O-] ZINC001085550601 825041970 /nfs/dbraw/zinc/04/19/70/825041970.db2.gz ZLPJASCLQPWCPB-NSHDSACASA-N -1 0 321.381 -0.198 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2Cc2cnn(C)n2)c1[O-] ZINC001085550580 825042204 /nfs/dbraw/zinc/04/22/04/825042204.db2.gz YXYYRIJWWUENHS-LLVKDONJSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ncccc1O ZINC001085562123 825045430 /nfs/dbraw/zinc/04/54/30/825045430.db2.gz DLPXLYTXRPFSLX-VIFPVBQESA-N -1 0 318.337 -0.043 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cncn1C ZINC001085702673 825090687 /nfs/dbraw/zinc/09/06/87/825090687.db2.gz WWJMCJKQGMYGFG-SECBINFHSA-N -1 0 305.342 -0.410 20 0 DBADRM Cc1cnn(C)c1C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085773407 825109146 /nfs/dbraw/zinc/10/91/46/825109146.db2.gz BXHXWKSWKXXAPA-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ccncn1 ZINC001085882304 825130934 /nfs/dbraw/zinc/13/09/34/825130934.db2.gz AGBSZGXULIOYQL-SECBINFHSA-N -1 0 303.326 -0.353 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](NCc3nnnn3C)C2)c1[O-] ZINC001086062582 825168372 /nfs/dbraw/zinc/16/83/72/825168372.db2.gz BBGQKXXSSOHPLT-DTORHVGOSA-N -1 0 320.357 -0.755 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](NCc3nnnn3C)C2)c1[O-] ZINC001086341656 825233693 /nfs/dbraw/zinc/23/36/93/825233693.db2.gz BBGQKXXSSOHPLT-KYZUINATSA-N -1 0 320.357 -0.755 20 0 DBADRM O=C([C@@H]1CCCO1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001087876346 825370259 /nfs/dbraw/zinc/37/02/59/825370259.db2.gz HMECKQABSFOWNN-WOPDTQHZSA-N -1 0 321.381 -0.030 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]3C2)c1[O-] ZINC001087935865 825378739 /nfs/dbraw/zinc/37/87/39/825378739.db2.gz VVPUXTGHLLKLSX-ZJUUUORDSA-N -1 0 307.354 -0.697 20 0 DBADRM CC(C)(O)CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001087950605 825380064 /nfs/dbraw/zinc/38/00/64/825380064.db2.gz BVDWTLAAAOZQHH-MNOVXSKESA-N -1 0 323.397 -0.048 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088456464 825423822 /nfs/dbraw/zinc/42/38/22/825423822.db2.gz SKOVDUPXALRYJT-SFYZADRCSA-N -1 0 319.325 -0.601 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088463537 825425404 /nfs/dbraw/zinc/42/54/04/825425404.db2.gz ALLBNIIJPNBGLJ-SCZZXKLOSA-N -1 0 305.342 -0.363 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2ccnn2C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088489774 825428623 /nfs/dbraw/zinc/42/86/23/825428623.db2.gz QGIAUKDBUWEDDT-BDAKNGLRSA-N -1 0 305.342 -0.363 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088519290 825432350 /nfs/dbraw/zinc/43/23/50/825432350.db2.gz PMFORVCGYPZVSU-BBBLOLIVSA-N -1 0 322.369 -0.885 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C)n1cncn1 ZINC001088530527 825432868 /nfs/dbraw/zinc/43/28/68/825432868.db2.gz AOEPDOHMDCQILU-UTLUCORTSA-N -1 0 320.357 -0.558 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C[C@H]2CCNC2=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088617990 825446363 /nfs/dbraw/zinc/44/63/63/825446363.db2.gz HEJPMMCJWXOFKJ-BBBLOLIVSA-N -1 0 322.369 -0.885 20 0 DBADRM Cc1ncn(C)c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001088639918 825448503 /nfs/dbraw/zinc/44/85/03/825448503.db2.gz WDCIHMPPQWJOEG-ZJUUUORDSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001088642734 825448534 /nfs/dbraw/zinc/44/85/34/825448534.db2.gz VUSPOWFLJCWFTC-SFYZADRCSA-N -1 0 321.341 -0.360 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1Cc1ccon1 ZINC001088708195 825453617 /nfs/dbraw/zinc/45/36/17/825453617.db2.gz JWIAGATZKCVTLT-APPZFPTMSA-N -1 0 320.309 -0.336 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCOC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088816920 825463963 /nfs/dbraw/zinc/46/39/63/825463963.db2.gz UTMIDJUMEGVENS-VYUIOLGVSA-N -1 0 313.333 -0.282 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC2=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088853996 825468664 /nfs/dbraw/zinc/46/86/64/825468664.db2.gz AHYHHSVJKZBNKX-ITMYJUKJSA-N -1 0 322.369 -0.885 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088916011 825474247 /nfs/dbraw/zinc/47/42/47/825474247.db2.gz CLVPKGSNCJRJBA-UTLUCORTSA-N -1 0 322.369 -0.742 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088981578 825482387 /nfs/dbraw/zinc/48/23/87/825482387.db2.gz BQDRNSMLCRLKHC-KOLCDFICSA-N -1 0 319.369 -0.435 20 0 DBADRM Cc1nc[nH]c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001089084047 825491720 /nfs/dbraw/zinc/49/17/20/825491720.db2.gz OUFYKZVEGJDODD-BDAKNGLRSA-N -1 0 305.342 -0.065 20 0 DBADRM CC(C)(F)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090004075 825543435 /nfs/dbraw/zinc/54/34/35/825543435.db2.gz YXJFXPIVHNYSCD-YUMQZZPRSA-N -1 0 301.322 -0.690 20 0 DBADRM CC(C)(F)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090004072 825543682 /nfs/dbraw/zinc/54/36/82/825543682.db2.gz YXJFXPIVHNYSCD-HTQZYQBOSA-N -1 0 301.322 -0.690 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccccc1 ZINC001090027941 825550132 /nfs/dbraw/zinc/55/01/32/825550132.db2.gz YGQWAVSKNLZYBG-RYUDHWBXSA-N -1 0 317.349 -0.125 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccccc1 ZINC001090027939 825550151 /nfs/dbraw/zinc/55/01/51/825550151.db2.gz YGQWAVSKNLZYBG-NEPJUHHUSA-N -1 0 317.349 -0.125 20 0 DBADRM Cc1ccoc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090083653 825561800 /nfs/dbraw/zinc/56/18/00/825561800.db2.gz OASIYSPNPNPLNO-NXEZZACHSA-N -1 0 321.337 -0.223 20 0 DBADRM Cn1cccc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090095657 825563508 /nfs/dbraw/zinc/56/35/08/825563508.db2.gz ZLAMQDQDGVKHQU-KOLCDFICSA-N -1 0 320.353 -0.786 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1=COCCC1 ZINC001090126608 825576616 /nfs/dbraw/zinc/57/66/16/825576616.db2.gz ZDCMWOBDUWCEST-MNOVXSKESA-N -1 0 323.353 -0.744 20 0 DBADRM Cc1nc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)co1 ZINC001090207434 825597268 /nfs/dbraw/zinc/59/72/68/825597268.db2.gz VVMZACJZIXKVDN-PSASIEDQSA-N -1 0 322.325 -0.828 20 0 DBADRM CC1(C)CC(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C1 ZINC001090243546 825607306 /nfs/dbraw/zinc/60/73/06/825607306.db2.gz HKKTYAKFXPOTAH-QWRGUYRKSA-N -1 0 323.397 -0.002 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1(C2CC2)CC1 ZINC001090347100 825645137 /nfs/dbraw/zinc/64/51/37/825645137.db2.gz MDIUOGCIOSWNKC-QWRGUYRKSA-N -1 0 321.381 -0.248 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cc(F)c[nH]1 ZINC001090439933 825697482 /nfs/dbraw/zinc/69/74/82/825697482.db2.gz YPKWYYLOHXHIPC-PSASIEDQSA-N -1 0 324.316 -0.657 20 0 DBADRM CC1(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CCC1 ZINC001090494466 825719698 /nfs/dbraw/zinc/71/96/98/825719698.db2.gz YPQOGBFFZXISAF-ZJUUUORDSA-N -1 0 309.370 -0.248 20 0 DBADRM Cc1coc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1 ZINC001090503399 825724274 /nfs/dbraw/zinc/72/42/74/825724274.db2.gz IVIZPFWBCJWYTJ-ZJUUUORDSA-N -1 0 321.337 -0.223 20 0 DBADRM CC(C)(C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC1 ZINC001090507510 825725695 /nfs/dbraw/zinc/72/56/95/825725695.db2.gz ODFLWJQZRZIQLJ-GHMZBOCLSA-N -1 0 323.397 -0.002 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001090515547 825729605 /nfs/dbraw/zinc/72/96/05/825729605.db2.gz UTOPPRHGYMIFOQ-KNZXXDILSA-N -1 0 321.381 -0.392 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001090515546 825730215 /nfs/dbraw/zinc/73/02/15/825730215.db2.gz UTOPPRHGYMIFOQ-IIRVCBMXSA-N -1 0 321.381 -0.392 20 0 DBADRM Cc1nocc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090537434 825743410 /nfs/dbraw/zinc/74/34/10/825743410.db2.gz LKWLPPYBOOAZGB-UWVGGRQHSA-N -1 0 322.325 -0.828 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1nccs1 ZINC001090670539 825793350 /nfs/dbraw/zinc/79/33/50/825793350.db2.gz FFTSTTONYPYMNR-JGVFFNPUSA-N -1 0 324.366 -0.668 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)c1cnco1 ZINC001092864080 826067638 /nfs/dbraw/zinc/06/76/38/826067638.db2.gz GNOSTXHRALDXFM-RKDXNWHRSA-N -1 0 306.326 -0.004 20 0 DBADRM Cc1nonc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001093252246 826108612 /nfs/dbraw/zinc/10/86/12/826108612.db2.gz BHRVIVNGTCCZMF-VXNVDRBHSA-N -1 0 321.341 -0.300 20 0 DBADRM Cc1cnc(C)nc1NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001093779887 826168609 /nfs/dbraw/zinc/16/86/09/826168609.db2.gz YJWZUYDTGKZTIU-UHFFFAOYSA-N -1 0 307.314 -0.676 20 0 DBADRM O=C(NCCNc1ncc(F)cn1)c1c[n-]n2c1nccc2=O ZINC001094160534 826201053 /nfs/dbraw/zinc/20/10/53/826201053.db2.gz SVVVHSBRBJADGX-UHFFFAOYSA-N -1 0 317.284 -0.206 20 0 DBADRM O=C(NCCNc1ncc(Cl)cn1)c1n[nH]c(=O)[n-]c1=O ZINC001094253733 826210897 /nfs/dbraw/zinc/21/08/97/826210897.db2.gz WWVIJUCKNDLVCW-UHFFFAOYSA-N -1 0 311.689 -0.432 20 0 DBADRM Cc1ccc(NCCCNC(=O)c2cnc([O-])n(C)c2=O)nn1 ZINC001094697595 826259592 /nfs/dbraw/zinc/25/95/92/826259592.db2.gz NTNPNIJUWNCOQE-UHFFFAOYSA-N -1 0 318.337 -0.184 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)cn1 ZINC001095159770 826308820 /nfs/dbraw/zinc/30/88/20/826308820.db2.gz ASEUPUZBCGOZIA-VWYCJHECSA-N -1 0 317.353 -0.221 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@H]1CCC(=O)N1 ZINC001095240721 826313402 /nfs/dbraw/zinc/31/34/02/826313402.db2.gz AMJBKKCORNYOCY-IMSYWVGJSA-N -1 0 320.353 -0.990 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cncnc1 ZINC001095342989 826318074 /nfs/dbraw/zinc/31/80/74/826318074.db2.gz GNXKBKSZDSBUMK-VWYCJHECSA-N -1 0 315.337 -0.164 20 0 DBADRM Cc1ccc(N(C)CCCNC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001095606460 826335093 /nfs/dbraw/zinc/33/50/93/826335093.db2.gz LVRDVXGTCOEJPX-UHFFFAOYSA-N -1 0 321.341 -0.570 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cn[nH]n1 ZINC001095676011 826338352 /nfs/dbraw/zinc/33/83/52/826338352.db2.gz ZKZMJJPWVZJMDS-FJXKBIBVSA-N -1 0 304.314 -0.836 20 0 DBADRM O=C(Cc1cnoc1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001095905836 826350206 /nfs/dbraw/zinc/35/02/06/826350206.db2.gz KDCZPHALXORZQI-VWYCJHECSA-N -1 0 318.337 -0.038 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1ccncn1 ZINC001096200259 826362624 /nfs/dbraw/zinc/36/26/24/826362624.db2.gz SMIDDHFXVBOZSR-MIMYLULJSA-N -1 0 315.337 -0.164 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@@H]1COCCO1 ZINC001096826194 826398432 /nfs/dbraw/zinc/39/84/32/826398432.db2.gz MHUAFGIWQGLDDT-ZNSHCXBVSA-N -1 0 323.353 -0.853 20 0 DBADRM Cc1ccnc(N[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001097976371 826443290 /nfs/dbraw/zinc/44/32/90/826443290.db2.gz GAOWAMAVXBQSTA-QMMMGPOBSA-N -1 0 307.314 -0.595 20 0 DBADRM Cc1nccc(N[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001097976213 826443528 /nfs/dbraw/zinc/44/35/28/826443528.db2.gz AFRQKFGRADNQJO-ZETCQYMHSA-N -1 0 307.314 -0.595 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1cccc(F)n1 ZINC001097976476 826443596 /nfs/dbraw/zinc/44/35/96/826443596.db2.gz JDHNXHUYCOYWPJ-SSDOTTSWSA-N -1 0 310.289 -0.160 20 0 DBADRM Cc1cc(C)nc(N[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001097976854 826444068 /nfs/dbraw/zinc/44/40/68/826444068.db2.gz SYISLTUDXFPIDM-SECBINFHSA-N -1 0 321.341 -0.287 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)Nc1cnc(F)cn1 ZINC001098178240 826452716 /nfs/dbraw/zinc/45/27/16/826452716.db2.gz GNGDMAWNRKUSNH-SSDOTTSWSA-N -1 0 322.300 -0.355 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)Nc1ncc(F)cn1 ZINC001098178701 826453285 /nfs/dbraw/zinc/45/32/85/826453285.db2.gz SMPFHYNEOBPLSW-ZETCQYMHSA-N -1 0 322.300 -0.355 20 0 DBADRM O=C(Cn1cncn1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001098339652 826465312 /nfs/dbraw/zinc/46/53/12/826465312.db2.gz MPNWQBAENIVATF-BBBLOLIVSA-N -1 0 318.341 -0.977 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ncc(F)cn1 ZINC001098435127 826482482 /nfs/dbraw/zinc/48/24/82/826482482.db2.gz IAIZDCZUXRKTFM-RXMQYKEDSA-N -1 0 309.261 -0.558 20 0 DBADRM COc1ccnc(N[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001098434938 826482947 /nfs/dbraw/zinc/48/29/47/826482947.db2.gz AZFFCSRTZKEUJH-ZCFIWIBFSA-N -1 0 321.297 -0.688 20 0 DBADRM Cc1nccc(N[C@H](C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001099361083 826565374 /nfs/dbraw/zinc/56/53/74/826565374.db2.gz BXXBTSRDILHVHZ-MRVPVSSYSA-N -1 0 321.341 -0.205 20 0 DBADRM COCCOCN1CCC2(CN(C(=O)c3cc(=O)[nH][n-]3)C2)C1 ZINC001274428656 833075100 /nfs/dbraw/zinc/07/51/00/833075100.db2.gz MMZHBHWLBRKHDO-UHFFFAOYSA-N -1 0 310.354 -0.116 20 0 DBADRM CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)[nH][n-]1 ZINC001274428457 833075135 /nfs/dbraw/zinc/07/51/35/833075135.db2.gz IIBKUTCSEXVESL-QWRGUYRKSA-N -1 0 307.354 -0.508 20 0 DBADRM CC(C)=C(F)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099780925 826663769 /nfs/dbraw/zinc/66/37/69/826663769.db2.gz ONUQAFRVUCVVPP-RKDXNWHRSA-N -1 0 313.333 -0.175 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1cnc(F)cn1 ZINC001099788967 826666853 /nfs/dbraw/zinc/66/68/53/826666853.db2.gz RJSGDSCNHDBRMI-ZCFIWIBFSA-N -1 0 323.288 -0.168 20 0 DBADRM Cn1cncc1CC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001274500005 833086824 /nfs/dbraw/zinc/08/68/24/833086824.db2.gz ZNJYEULHKRLFPO-NSCUHMNNSA-N -1 0 305.342 -0.752 20 0 DBADRM CC/C(C)=C/C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099818980 826685601 /nfs/dbraw/zinc/68/56/01/826685601.db2.gz QMSZIKDZAUMFCP-FSZCPTMNSA-N -1 0 309.370 -0.082 20 0 DBADRM CC/C(C)=C\C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099818981 826686174 /nfs/dbraw/zinc/68/61/74/826686174.db2.gz QMSZIKDZAUMFCP-GOLMWGNGSA-N -1 0 309.370 -0.082 20 0 DBADRM CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099983567 826758260 /nfs/dbraw/zinc/75/82/60/826758260.db2.gz MWJWXVURMAKWMC-ZJUUUORDSA-N -1 0 311.386 -0.002 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C(C)(C)C(N)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001274634736 833112877 /nfs/dbraw/zinc/11/28/77/833112877.db2.gz QVRFSCAPGKJHQJ-DTWKUNHWSA-N -1 0 324.385 -0.509 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(C)(C)C(N)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001274634734 833112962 /nfs/dbraw/zinc/11/29/62/833112962.db2.gz QVRFSCAPGKJHQJ-BDAKNGLRSA-N -1 0 324.385 -0.509 20 0 DBADRM CC(C)(C)[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)c1nc(=O)o[n-]1 ZINC001162934743 833124290 /nfs/dbraw/zinc/12/42/90/833124290.db2.gz FYLJTJFDIDMMIV-HZGVNTEJSA-N -1 0 310.310 -0.381 20 0 DBADRM CC(C)(C)[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)c1nc(=O)o[n-]1 ZINC001162934745 833124658 /nfs/dbraw/zinc/12/46/58/833124658.db2.gz FYLJTJFDIDMMIV-IMTBSYHQSA-N -1 0 310.310 -0.381 20 0 DBADRM CN(CCNC(=O)c1c[n-]n2c1nccc2=O)c1ncccn1 ZINC001100351778 826946417 /nfs/dbraw/zinc/94/64/17/826946417.db2.gz SZPZRVXTSYDOKK-UHFFFAOYSA-N -1 0 313.321 -0.321 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1cccc(F)n1 ZINC001100416283 826961222 /nfs/dbraw/zinc/96/12/22/826961222.db2.gz WUKOAVRPPJHNRX-UHFFFAOYSA-N -1 0 308.273 -0.317 20 0 DBADRM Cc1nccc(N(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001100416402 826962019 /nfs/dbraw/zinc/96/20/19/826962019.db2.gz ZYEGQHDTNMARRX-UHFFFAOYSA-N -1 0 305.298 -0.753 20 0 DBADRM CN(CCNc1cc(F)ncn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001102050490 827183718 /nfs/dbraw/zinc/18/37/18/827183718.db2.gz RYTPLMDVVLRJHM-UHFFFAOYSA-N -1 0 309.261 -0.604 20 0 DBADRM Cc1ccc(NC[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001104039469 827318819 /nfs/dbraw/zinc/31/88/19/827318819.db2.gz RCVQFTACXFXOBZ-QMMMGPOBSA-N -1 0 321.341 -0.348 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNc1ncc(F)cn1 ZINC001104273602 827335173 /nfs/dbraw/zinc/33/51/73/827335173.db2.gz VPGLPUIBEDLGFB-ZCFIWIBFSA-N -1 0 323.288 -0.310 20 0 DBADRM Cc1nccc(NC[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001104272430 827335225 /nfs/dbraw/zinc/33/52/25/827335225.db2.gz BTMRFDYQEANFSD-ZETCQYMHSA-N -1 0 319.325 -0.141 20 0 DBADRM Cn1[n-]c(C(=O)N2CC[C@H]3C[C@]32C(=O)Nc2nnco2)cc1=O ZINC001275609845 833193617 /nfs/dbraw/zinc/19/36/17/833193617.db2.gz FDWUDFMCUBWAPC-WPPNPWJKSA-N -1 0 318.293 -0.248 20 0 DBADRM Cn1[n-]c(C(=O)N2Cc3ccnn3CC[C@H]2C(N)=O)cc1=O ZINC001275610399 833193758 /nfs/dbraw/zinc/19/37/58/833193758.db2.gz SBJNSJRFKCMWRT-JTQLQIEISA-N -1 0 304.310 -0.778 20 0 DBADRM Cc1cc(NC[C@H](C)N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001104644219 827364865 /nfs/dbraw/zinc/36/48/65/827364865.db2.gz MHNTUQOWFYANOP-VIFPVBQESA-N -1 0 321.341 -0.253 20 0 DBADRM Cn1[n-]c(C(=O)N2CC3(C[C@@H]3C(=O)Nc3nnco3)C2)cc1=O ZINC001275610106 833193803 /nfs/dbraw/zinc/19/38/03/833193803.db2.gz NNXFMLOFUIRVOJ-SSDOTTSWSA-N -1 0 318.293 -0.391 20 0 DBADRM CN(C)C(=O)c1cn2c(n1)CN(C(=O)c1cc(=O)n(C)[n-]1)CC2 ZINC001275610386 833193817 /nfs/dbraw/zinc/19/38/17/833193817.db2.gz RNPWUZVSIUFJTL-UHFFFAOYSA-N -1 0 318.337 -0.320 20 0 DBADRM C[C@@H](CNc1cc(F)ncn1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001104881007 827376826 /nfs/dbraw/zinc/37/68/26/827376826.db2.gz DODRWKFDEDTSSS-LURJTMIESA-N -1 0 323.288 -0.216 20 0 DBADRM C[C@H](CNc1cnc(F)cn1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001104881660 827377079 /nfs/dbraw/zinc/37/70/79/827377079.db2.gz QWJJBKSYZNMMEU-ZCFIWIBFSA-N -1 0 323.288 -0.216 20 0 DBADRM Cn1[n-]c(C(=O)N2CC[C@H](C(N)=O)n3nccc3C2)cc1=O ZINC001275609939 833193552 /nfs/dbraw/zinc/19/35/52/833193552.db2.gz IRYJAINPXNXTCC-SNVBAGLBSA-N -1 0 304.310 -0.605 20 0 DBADRM Cn1ccc(=NC(=O)c2cnc3sccn3c2=O)nc1[O-] ZINC001164198288 833195827 /nfs/dbraw/zinc/19/58/27/833195827.db2.gz NLKCQXKPBQJXAJ-UHFFFAOYSA-N -1 0 303.303 -0.064 20 0 DBADRM CN(CCN(C)c1ncccn1)C(=O)c1cnc([O-])n(C)c1=O ZINC001105518948 827452268 /nfs/dbraw/zinc/45/22/68/827452268.db2.gz VAHURTZROGRXMN-UHFFFAOYSA-N -1 0 318.337 -0.516 20 0 DBADRM CN(CCN(C)c1nccnc1F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001105613202 827460171 /nfs/dbraw/zinc/46/01/71/827460171.db2.gz FBSVGHNJRCTCRA-UHFFFAOYSA-N -1 0 323.288 -0.580 20 0 DBADRM CN(CCN(C)c1cnc(F)cn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001105613601 827460513 /nfs/dbraw/zinc/46/05/13/827460513.db2.gz MUTVXYHPIARLCI-UHFFFAOYSA-N -1 0 323.288 -0.580 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNc2cc(F)ncn2)c1[O-] ZINC001105819932 827522525 /nfs/dbraw/zinc/52/25/25/827522525.db2.gz OBOYVVZOFCLWGQ-SSDOTTSWSA-N -1 0 310.289 -0.444 20 0 DBADRM CC(C)(C)NC(=O)[C@H]1CC12CN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001275820781 833211826 /nfs/dbraw/zinc/21/18/26/833211826.db2.gz VHNRSFJUEPIVBW-MRVPVSSYSA-N -1 0 320.349 -0.560 20 0 DBADRM C[C@@H](CCNc1ncccn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001106644550 827667361 /nfs/dbraw/zinc/66/73/61/827667361.db2.gz TYQQKOIRVHQVFG-ZETCQYMHSA-N -1 0 305.298 -0.307 20 0 DBADRM CCN(CCNc1cc(F)ncn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001107001031 827692531 /nfs/dbraw/zinc/69/25/31/827692531.db2.gz VIGQSFBMNKBBKX-UHFFFAOYSA-N -1 0 323.288 -0.214 20 0 DBADRM O=C(NCc1c[nH]cn1)[C@H]1CC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276022883 833235490 /nfs/dbraw/zinc/23/54/90/833235490.db2.gz MXSOLHWTRZGEEC-SECBINFHSA-N -1 0 316.321 -0.383 20 0 DBADRM O=C(NCC1COC1)[C@H]1CC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276023094 833235555 /nfs/dbraw/zinc/23/55/55/833235555.db2.gz PGLKWFISLODDRY-SECBINFHSA-N -1 0 306.322 -0.660 20 0 DBADRM O=C(NCC1COC1)[C@]12C[C@H]1CCN2C(=O)c1cc(=O)[nH][n-]1 ZINC001276023855 833235752 /nfs/dbraw/zinc/23/57/52/833235752.db2.gz YVNWSRVHDWZLHW-OTYXRUKQSA-N -1 0 306.322 -0.518 20 0 DBADRM Cn1cnc([C@@H]2CN(C(=O)c3cc(=O)[nH][n-]3)C[C@H]2C(N)=O)c1 ZINC001276019667 833235763 /nfs/dbraw/zinc/23/57/63/833235763.db2.gz SYPLKZIHODDMGF-HTQZYQBOSA-N -1 0 304.310 -0.810 20 0 DBADRM C[C@@H]1c2ncc(CC(N)=O)n2CCN1C(=O)c1cc(=O)[nH][n-]1 ZINC001276019381 833236254 /nfs/dbraw/zinc/23/62/54/833236254.db2.gz ONOVFJXPFZDLNL-SSDOTTSWSA-N -1 0 304.310 -0.443 20 0 DBADRM CN(C)C(=O)[C@H]1CCn2nccc2CN1C(=O)c1cc(=O)[nH][n-]1 ZINC001276024635 833236662 /nfs/dbraw/zinc/23/66/62/833236662.db2.gz CEETXHXCWQARDW-LLVKDONJSA-N -1 0 318.337 -0.185 20 0 DBADRM CCOCCN1CC(CCO)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001276044227 833238521 /nfs/dbraw/zinc/23/85/21/833238521.db2.gz QBUHQIGDZWGNAU-UHFFFAOYSA-N -1 0 312.370 -0.373 20 0 DBADRM O=C(C=C1CCC1)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001276044172 833238960 /nfs/dbraw/zinc/23/89/60/833238960.db2.gz OOZXZTGEMRYMGD-UHFFFAOYSA-N -1 0 307.354 -0.326 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC/C=C/CNc1ncc(F)cn1 ZINC001107286823 827738144 /nfs/dbraw/zinc/73/81/44/827738144.db2.gz FWRXDVMQNDJVAW-OWOJBTEDSA-N -1 0 323.288 -0.597 20 0 DBADRM O=C([O-])Cc1nccnc1N1CCC2(CC1)COCC(=O)N2 ZINC001165347793 833243100 /nfs/dbraw/zinc/24/31/00/833243100.db2.gz KZOOTDKYNFNCSZ-UHFFFAOYSA-N -1 0 306.322 -0.411 20 0 DBADRM CC(=O)NC[C@]1(C)CN(Cc2cc(=O)n3[n-]ccc3n2)CCO1 ZINC001107664174 827762718 /nfs/dbraw/zinc/76/27/18/827762718.db2.gz IDAVWBLZZSTGNZ-OAHLLOKOSA-N -1 0 319.365 -0.250 20 0 DBADRM CC(F)(F)C(=O)NC[C@@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107685060 827767935 /nfs/dbraw/zinc/76/79/35/827767935.db2.gz DTUFBTCUKBPBDA-NSHDSACASA-N -1 0 319.312 -0.127 20 0 DBADRM C[C@@]1(CNC(=O)c2ccn[nH]2)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107759511 827787201 /nfs/dbraw/zinc/78/72/01/827787201.db2.gz UMSPTXKSWBUIDU-CYBMUJFWSA-N -1 0 321.341 -0.746 20 0 DBADRM C[C@H](CNc1cc(F)ncn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001107869065 827817587 /nfs/dbraw/zinc/81/75/87/827817587.db2.gz JESAGQMKDJNHET-ZCFIWIBFSA-N -1 0 311.277 -0.765 20 0 DBADRM C[C@@]1(CNC(=O)c2cc[nH]c2)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107963643 827851091 /nfs/dbraw/zinc/85/10/91/827851091.db2.gz VSOBLTHBDCNNTC-CQSZACIVSA-N -1 0 320.353 -0.141 20 0 DBADRM C[C@H](CNc1ncc(F)cn1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001108052904 827883260 /nfs/dbraw/zinc/88/32/60/827883260.db2.gz QTTSGNMSZADPBQ-SSDOTTSWSA-N -1 0 322.300 -0.355 20 0 DBADRM C[C@@H](CNc1ncc(F)cn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001108782138 828047769 /nfs/dbraw/zinc/04/77/69/828047769.db2.gz NZIHCBFLRFETBV-YFKPBYRVSA-N -1 0 309.261 -0.558 20 0 DBADRM C[C@@H](CNc1cc(F)ncn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001108781979 828047842 /nfs/dbraw/zinc/04/78/42/828047842.db2.gz IFENCDSYMCVFRA-YFKPBYRVSA-N -1 0 309.261 -0.558 20 0 DBADRM Cc1nccc(N(C)C[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001109043770 828081485 /nfs/dbraw/zinc/08/14/85/828081485.db2.gz GIVMGIRDFLLWCY-QMMMGPOBSA-N -1 0 321.341 -0.571 20 0 DBADRM C[C@H](CN(C)c1ncccn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001109309471 828109551 /nfs/dbraw/zinc/10/95/51/828109551.db2.gz HDAQSXXHJUIEQB-SSDOTTSWSA-N -1 0 305.298 -0.673 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H](CNc1ncccn1)C1CC1 ZINC001109882412 828141268 /nfs/dbraw/zinc/14/12/68/828141268.db2.gz ZMRIGYICDICRKI-SECBINFHSA-N -1 0 319.325 -0.514 20 0 DBADRM NC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110199695 828157842 /nfs/dbraw/zinc/15/78/42/828157842.db2.gz PGBGKYBYYAAWEL-UTLUCORTSA-N -1 0 322.369 -0.613 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110264996 828163870 /nfs/dbraw/zinc/16/38/70/828163870.db2.gz BXNZXQYCDKOOOV-IANFPDNMSA-N -1 0 322.369 -0.744 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110264997 828163931 /nfs/dbraw/zinc/16/39/31/828163931.db2.gz BXNZXQYCDKOOOV-WKJUBOCMSA-N -1 0 322.369 -0.744 20 0 DBADRM Cc1ccc(NC2(CNC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)nn1 ZINC001110406669 828177200 /nfs/dbraw/zinc/17/72/00/828177200.db2.gz YXKSPWQAUPCHQI-UHFFFAOYSA-N -1 0 317.309 -0.244 20 0 DBADRM O=C1[N-]OC[C@H]1Nc1nc(N2CCOCC2)nc2[nH]ccc21 ZINC001167506474 833301872 /nfs/dbraw/zinc/30/18/72/833301872.db2.gz DGYCHXFUDSKRCO-SECBINFHSA-N -1 0 304.310 -0.364 20 0 DBADRM CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110466465 828181560 /nfs/dbraw/zinc/18/15/60/828181560.db2.gz QWBOYELWDIXSOC-BBBLOLIVSA-N -1 0 322.369 -0.742 20 0 DBADRM COC(=O)[C@@H]1Cc2cc(N[C@@H]3CO[N-]C3=O)cnc2NC1=O ZINC001167519099 833302060 /nfs/dbraw/zinc/30/20/60/833302060.db2.gz DIXUBADQCYBFQE-RKDXNWHRSA-N -1 0 306.278 -0.793 20 0 DBADRM C[C@H]1[C@H](Nc2ccc3c(n2)C(=O)NC3)C(=O)N1S(=O)(=O)[O-] ZINC001167858313 833311495 /nfs/dbraw/zinc/31/14/95/833311495.db2.gz NTHORELFCURQIC-XNCJUZBTSA-N -1 0 312.307 -0.861 20 0 DBADRM C[C@H]1[C@H](Nc2cncc(OC(F)F)n2)C(=O)N1S(=O)(=O)[O-] ZINC001167857467 833311529 /nfs/dbraw/zinc/31/15/29/833311529.db2.gz DFHFEOWNLNXABP-FFWSUHOLSA-N -1 0 324.265 -0.108 20 0 DBADRM C[C@H]1[C@H](Nc2cc3cncnc3cn2)C(=O)N1S(=O)(=O)[O-] ZINC001167857931 833311541 /nfs/dbraw/zinc/31/15/41/833311541.db2.gz KBBJMUFRCHYTSY-WKEGUHRASA-N -1 0 309.307 -0.161 20 0 DBADRM COc1nc(Cl)ncc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167858491 833311601 /nfs/dbraw/zinc/31/16/01/833311601.db2.gz JXTRWTYUIHASCU-NJGYIYPDSA-N -1 0 322.730 -0.047 20 0 DBADRM C[C@H]1[C@H](Nc2nc(F)nc3nc[nH]c32)C(=O)N1S(=O)(=O)[O-] ZINC001167857718 833311638 /nfs/dbraw/zinc/31/16/38/833311638.db2.gz HQCXWGLSBGTDPY-IMJSIDKUSA-N -1 0 316.274 -0.694 20 0 DBADRM C[C@H]1[C@H](Nc2ccc3ncn(C)c3n2)C(=O)N1S(=O)(=O)[O-] ZINC001167858183 833311659 /nfs/dbraw/zinc/31/16/59/833311659.db2.gz MTXNZNRHWWZQNH-RCOVLWMOSA-N -1 0 311.323 -0.218 20 0 DBADRM C[C@H]1[C@H](Nc2cnc(N(C)C)nc2)C(=O)N1S(=O)(=O)[O-] ZINC001167858934 833311929 /nfs/dbraw/zinc/31/19/29/833311929.db2.gz NCOXNALIGKDGGB-XPUUQOCRSA-N -1 0 301.328 -0.643 20 0 DBADRM CCc1nc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)ncc1F ZINC001167858776 833311977 /nfs/dbraw/zinc/31/19/77/833311977.db2.gz RYDCCCWIDNLGNS-XNCJUZBTSA-N -1 0 304.303 -0.008 20 0 DBADRM C[C@H]1[C@H](Nc2cnc3ncn(C)c3n2)C(=O)N1S(=O)(=O)[O-] ZINC001167862567 833312492 /nfs/dbraw/zinc/31/24/92/833312492.db2.gz ZTRNTRAKDBWNPE-FSPLSTOPSA-N -1 0 312.311 -0.823 20 0 DBADRM O=P([O-])([O-])OCCNc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001168591698 833325528 /nfs/dbraw/zinc/32/55/28/833325528.db2.gz WPFARVMRPLVEAP-SECBINFHSA-N -1 0 304.243 -0.262 20 0 DBADRM Cc1cc(N[C@@H](C)CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001115802382 828865295 /nfs/dbraw/zinc/86/52/95/828865295.db2.gz ZAVYBBODLZMLAU-VIFPVBQESA-N -1 0 321.341 -0.253 20 0 DBADRM Cc1nnc2ccc(C(=O)Nc3n[n-]c(S(C)(=O)=O)n3)cn12 ZINC001115940315 828869308 /nfs/dbraw/zinc/86/93/08/828869308.db2.gz GFUSIVUUOBHSSA-UHFFFAOYSA-N -1 0 321.322 -0.188 20 0 DBADRM Cc1n[nH]cc1CCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001116005641 828871169 /nfs/dbraw/zinc/87/11/69/828871169.db2.gz LJQUMFVKYGMUNK-UHFFFAOYSA-N -1 0 315.337 -0.148 20 0 DBADRM CCn1nc(NC(=O)C(=O)NCc2nnn[n-]2)cc1C1CC1 ZINC001116262603 828885792 /nfs/dbraw/zinc/88/57/92/828885792.db2.gz YBYICIIQTHHSET-UHFFFAOYSA-N -1 0 304.314 -0.452 20 0 DBADRM O=C([N-]S(=O)(=O)Cc1ccon1)c1ccc2n[nH]c(=O)n2c1 ZINC001116406654 828892961 /nfs/dbraw/zinc/89/29/61/828892961.db2.gz PPQBAWVSASZUBF-UHFFFAOYSA-N -1 0 323.290 -0.317 20 0 DBADRM NC(=O)c1cn(CC(=O)NCc2nc(=O)o[n-]2)c2ccccc12 ZINC001116420746 828893755 /nfs/dbraw/zinc/89/37/55/828893755.db2.gz JAJBWAVYZRPWPO-UHFFFAOYSA-N -1 0 315.289 -0.267 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)CCC1 ZINC001116409321 828893778 /nfs/dbraw/zinc/89/37/78/828893778.db2.gz YFROXNNWTXUZAL-SECBINFHSA-N -1 0 304.368 -0.615 20 0 DBADRM Cn1nnc2cc(C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)cnc21 ZINC001116560267 828902053 /nfs/dbraw/zinc/90/20/53/828902053.db2.gz GSSTYOLTTUUFKX-SECBINFHSA-N -1 0 315.297 -0.910 20 0 DBADRM C[C@](O)(CNC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC001116652976 828905221 /nfs/dbraw/zinc/90/52/21/828905221.db2.gz DAWMVZUHYSTKTO-ZDUSSCGKSA-N -1 0 315.326 -0.951 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC001116735284 828910951 /nfs/dbraw/zinc/91/09/51/828910951.db2.gz RXIZBMNLXSBOQG-UHFFFAOYSA-N -1 0 307.310 -0.847 20 0 DBADRM O=C([N-]S(=O)(=O)Cc1ccon1)c1cnn2ccncc12 ZINC001116740263 828911374 /nfs/dbraw/zinc/91/13/74/828911374.db2.gz BCCXYYWNZATGLL-UHFFFAOYSA-N -1 0 307.291 -0.023 20 0 DBADRM Cc1c(NC(=O)C(=O)[N-]OCC(N)=O)cnn1C1CCCC1 ZINC001116819677 828915067 /nfs/dbraw/zinc/91/50/67/828915067.db2.gz PWQABBRLYDWMKS-UHFFFAOYSA-N -1 0 309.326 -0.222 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(-n2cncn2)cc1 ZINC001116857289 828916462 /nfs/dbraw/zinc/91/64/62/828916462.db2.gz KYRYCHAXOCGUQF-UHFFFAOYSA-N -1 0 305.294 -0.100 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)c1 ZINC001116938649 828921243 /nfs/dbraw/zinc/92/12/43/828921243.db2.gz SPVWVHKBEQCBPS-UHFFFAOYSA-N -1 0 323.334 -0.355 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001117017494 828931908 /nfs/dbraw/zinc/93/19/08/828931908.db2.gz QVACCQCDQPGDKL-NSHDSACASA-N -1 0 315.370 -0.950 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NCc1ccc(-n2cncn2)nc1 ZINC001117033937 828933627 /nfs/dbraw/zinc/93/36/27/828933627.db2.gz VIUCLPKEAMVYJA-UHFFFAOYSA-N -1 0 318.337 -0.018 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC001117050262 828935012 /nfs/dbraw/zinc/93/50/12/828935012.db2.gz ZKJPUBXKDSRRSZ-SNVBAGLBSA-N -1 0 310.306 -0.363 20 0 DBADRM O=C([N-]OC1CCCCC1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001117069899 828937794 /nfs/dbraw/zinc/93/77/94/828937794.db2.gz SVQTYZRGXXCZAY-JTQLQIEISA-N -1 0 318.395 -0.082 20 0 DBADRM CCOC(=O)c1nc(=N[C@H](CO)C(N)=O)c2sccc2[n-]1 ZINC001169322865 833338561 /nfs/dbraw/zinc/33/85/61/833338561.db2.gz FELFPFNIKHOCNS-SSDOTTSWSA-N -1 0 310.335 -0.452 20 0 DBADRM O=C(CNC(=O)C(=O)[N-]OC[C@H]1CCOC1)N1CCCCC1 ZINC001117292181 828956639 /nfs/dbraw/zinc/95/66/39/828956639.db2.gz LQUCIXZVOWDJGM-NSHDSACASA-N -1 0 313.354 -0.801 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCCS(=O)(=O)C(C)(C)C ZINC001117330616 828962834 /nfs/dbraw/zinc/96/28/34/828962834.db2.gz HKLIONDDIJWLDS-UHFFFAOYSA-N -1 0 324.399 -0.600 20 0 DBADRM NC(=O)c1cc(CNC(=O)C(=O)[N-]OCc2ccccc2)on1 ZINC001117393363 828973165 /nfs/dbraw/zinc/97/31/65/828973165.db2.gz VQAKORYKOMMJDI-UHFFFAOYSA-N -1 0 318.289 -0.362 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1ccccc1NC(C)=O ZINC001117442073 828980056 /nfs/dbraw/zinc/98/00/56/828980056.db2.gz BZNNUPSVNIJRIU-UHFFFAOYSA-N -1 0 309.322 -0.045 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)[N-]OCCOC)[C@@]12CCCO2 ZINC001117596797 828996227 /nfs/dbraw/zinc/99/62/27/828996227.db2.gz WCHOWHXVLKAUJN-WDMOLILDSA-N -1 0 316.354 -0.477 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC001117611915 828998420 /nfs/dbraw/zinc/99/84/20/828998420.db2.gz CKJPPRJTEVPVEW-SNVBAGLBSA-N -1 0 321.399 -0.770 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](O)(C3CC3)C2)C[C@@H]1C(=O)[O-] ZINC001118178683 829044905 /nfs/dbraw/zinc/04/49/05/829044905.db2.gz FDGHEYOSSHLWMA-RSAASHCRSA-N -1 0 324.377 -0.071 20 0 DBADRM CCOC(=O)C[C@H]1CCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC001118179012 829044938 /nfs/dbraw/zinc/04/49/38/829044938.db2.gz JJDMEZVFFPXMJP-SNVBAGLBSA-N -1 0 314.338 -0.088 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)CCc1ccco1 ZINC001118278802 829061176 /nfs/dbraw/zinc/06/11/76/829061176.db2.gz MHDGUCLQJFMTDI-JTQLQIEISA-N -1 0 311.338 -0.099 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(O)cc1 ZINC001118283170 829062306 /nfs/dbraw/zinc/06/23/06/829062306.db2.gz UISGTKDYGNNKIM-UHFFFAOYSA-N -1 0 309.322 -0.765 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccccc1OCC ZINC001118343024 829072865 /nfs/dbraw/zinc/07/28/65/829072865.db2.gz LSWQUPBMADLKFN-UHFFFAOYSA-N -1 0 323.349 -0.115 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)Cc1ccc(O)cc1 ZINC001118348580 829073907 /nfs/dbraw/zinc/07/39/07/829073907.db2.gz NWQMIGZKTJGLBP-SNVBAGLBSA-N -1 0 323.349 -0.377 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC001118352994 829074571 /nfs/dbraw/zinc/07/45/71/829074571.db2.gz ATDXYZQQZMRFMD-SECBINFHSA-N -1 0 315.370 -0.367 20 0 DBADRM CCN1C[C@H](CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)CC1=O ZINC001118365251 829076642 /nfs/dbraw/zinc/07/66/42/829076642.db2.gz WMGOXIFRBPLKST-QWRGUYRKSA-N -1 0 313.354 -0.945 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC001118365637 829076674 /nfs/dbraw/zinc/07/66/74/829076674.db2.gz YVBNJGMNSZOTEM-GFCCVEGCSA-N -1 0 320.349 -0.071 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCOC2(CCCC2)C1 ZINC001118365725 829076769 /nfs/dbraw/zinc/07/67/69/829076769.db2.gz LJSLQIKMIAMGKS-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)OC2(CCC2)C1 ZINC001118366180 829076972 /nfs/dbraw/zinc/07/69/72/829076972.db2.gz SBPUUVQBBSCADY-SNVBAGLBSA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1ncnn1C(C)(C)C)C(=O)[O-] ZINC001118389639 829078571 /nfs/dbraw/zinc/07/85/71/829078571.db2.gz OCIYMXZHFDQHFQ-MRVPVSSYSA-N -1 0 311.342 -0.514 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)n1 ZINC001118472457 829088913 /nfs/dbraw/zinc/08/89/13/829088913.db2.gz KHFFCRYYJOIBAF-UHFFFAOYSA-N -1 0 324.337 -0.250 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1C=CCCC1)C2 ZINC001118481623 829090121 /nfs/dbraw/zinc/09/01/21/829090121.db2.gz BHEALQREYMGFFF-UEKVPHQBSA-N -1 0 308.334 -0.229 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)[C@](C)(OC)C(=O)[O-])CC2 ZINC001118512032 829096367 /nfs/dbraw/zinc/09/63/67/829096367.db2.gz DSPOHVXYNBCGNK-OQPBUACISA-N -1 0 312.326 -0.655 20 0 DBADRM COCCOCCN1CCN(C(=O)[C@](C)(OC)C(=O)[O-])CC1 ZINC001118511725 829096580 /nfs/dbraw/zinc/09/65/80/829096580.db2.gz SZUUGGZQGLVKTR-AWEZNQCLSA-N -1 0 318.370 -0.717 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001118514262 829097561 /nfs/dbraw/zinc/09/75/61/829097561.db2.gz XZAKAPWIDIKLGP-CABZTGNLSA-N -1 0 322.383 -0.736 20 0 DBADRM Cn1[nH]cnc1=NC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001118540638 829101862 /nfs/dbraw/zinc/10/18/62/829101862.db2.gz AFSNDRJYJMIHRC-UHFFFAOYSA-N -1 0 309.326 -0.721 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N[C@@H]2CCCOC2)n1 ZINC001118543195 829102214 /nfs/dbraw/zinc/10/22/14/829102214.db2.gz YKYYRHDUGTZRIN-SECBINFHSA-N -1 0 324.337 -0.064 20 0 DBADRM C[C@H](NC(=O)C(=O)NCC1(C(=O)[O-])CCC1)c1ncnn1C ZINC001118548116 829102999 /nfs/dbraw/zinc/10/29/99/829102999.db2.gz HEMUYQVUKMOZHJ-QMMMGPOBSA-N -1 0 309.326 -0.637 20 0 DBADRM Cc1cnc2nc(C(=O)N(C)C[C@@H](C)c3nnn[n-]3)nn2c1 ZINC001118694419 829122651 /nfs/dbraw/zinc/12/26/51/829122651.db2.gz SRQNUNMVGPICIT-MRVPVSSYSA-N -1 0 301.314 -0.178 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCn3ncnc3C2)CC[C@@H]1C(=O)[O-] ZINC001118958502 829198103 /nfs/dbraw/zinc/19/81/03/829198103.db2.gz CLCSMBPGHORNDH-ZJUUUORDSA-N -1 0 321.337 -0.811 20 0 DBADRM CCN(CC)S(=O)(=O)N1CCN(CCOCC(=O)[O-])CC1 ZINC001118999254 829201011 /nfs/dbraw/zinc/20/10/11/829201011.db2.gz QEQPTCGOKGYSQE-UHFFFAOYSA-N -1 0 323.415 -0.708 20 0 DBADRM COC(=O)[C@@H]1C[C@H](N[C@H]2SC(=O)[N-]C2=O)C[C@@H]1C(=O)OC ZINC001173563813 833377860 /nfs/dbraw/zinc/37/78/60/833377860.db2.gz CGCYWOZQZMDQEI-XQXXSGGOSA-N -1 0 316.335 -0.374 20 0 DBADRM Cn1cc(C=O)cc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001119115122 829220530 /nfs/dbraw/zinc/22/05/30/829220530.db2.gz CTECIUDMXJQWJX-JTQLQIEISA-N -1 0 314.319 -0.839 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[C@H](C2CC2)O1 ZINC001119398481 829257577 /nfs/dbraw/zinc/25/75/77/829257577.db2.gz WWZXIRIYONXVRQ-HJQYOEGKSA-N -1 0 310.350 -0.008 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(F)cc1F ZINC001119679189 829289467 /nfs/dbraw/zinc/28/94/67/829289467.db2.gz DQSPBXCKTRYUNJ-UHFFFAOYSA-N -1 0 315.276 -0.583 20 0 DBADRM C[S@@](=O)CCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001119694831 829292520 /nfs/dbraw/zinc/29/25/20/829292520.db2.gz IMCCQVVGWIHMKF-LJQANCHMSA-N -1 0 319.408 -0.049 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1c2ccccc2CC[C@H]1F ZINC001119820759 829308446 /nfs/dbraw/zinc/30/84/46/829308446.db2.gz XCIRNJGANAKYQN-YPMHNXCESA-N -1 0 323.324 -0.078 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccc(F)cc1F ZINC001119848015 829312909 /nfs/dbraw/zinc/31/29/09/829312909.db2.gz YKDGAUHSAJHAEH-UHFFFAOYSA-N -1 0 315.276 -0.283 20 0 DBADRM O=C(c1cncc(-n2ccnn2)c1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001175561656 833392375 /nfs/dbraw/zinc/39/23/75/833392375.db2.gz KTXRPPBQJOLNOH-VIFPVBQESA-N -1 0 311.309 -0.195 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2c(C)cc(C)cc2C1 ZINC001119926618 829325112 /nfs/dbraw/zinc/32/51/12/829325112.db2.gz ZZMRSWBTXWLNOQ-UHFFFAOYSA-N -1 0 319.361 -0.018 20 0 DBADRM CCOCCOCCNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001119931802 829325169 /nfs/dbraw/zinc/32/51/69/829325169.db2.gz WEXJKQPNUNDSEF-UHFFFAOYSA-N -1 0 304.343 -0.618 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)[C@H]1CC[C@H](SC)C1 ZINC001119926394 829325330 /nfs/dbraw/zinc/32/53/30/829325330.db2.gz WWAQMOHSGFBQSD-IUCAKERBSA-N -1 0 303.384 -0.477 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001120286285 829348209 /nfs/dbraw/zinc/34/82/09/829348209.db2.gz VENDVLPLDBUHMQ-LLVKDONJSA-N -1 0 310.358 -0.396 20 0 DBADRM Cn1[n-]nnc1=Nc1cccc(C(=O)N2CCN(C)CC2)c1 ZINC001175921528 833398206 /nfs/dbraw/zinc/39/82/06/833398206.db2.gz YAFVQQMKEAMHIT-UHFFFAOYSA-N -1 0 301.354 -0.237 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H](C)CSC ZINC001120427007 829368651 /nfs/dbraw/zinc/36/86/51/829368651.db2.gz KMDNHLSWUSXEJR-VIFPVBQESA-N -1 0 306.384 -0.196 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@H](C)CSC ZINC001120427006 829369427 /nfs/dbraw/zinc/36/94/27/829369427.db2.gz KMDNHLSWUSXEJR-SECBINFHSA-N -1 0 306.384 -0.196 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001176303127 833403340 /nfs/dbraw/zinc/40/33/40/833403340.db2.gz RHVFWQXEKDBCJP-UHFFFAOYSA-N -1 0 316.277 -0.600 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Nc1nccnc1F ZINC001120928112 829411753 /nfs/dbraw/zinc/41/17/53/829411753.db2.gz HNUJZBFYTUUIRN-ZCFIWIBFSA-N -1 0 323.288 -0.216 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(N(C)C)c1C ZINC001121080609 829427388 /nfs/dbraw/zinc/42/73/88/829427388.db2.gz ZUJZHTWDNCWCQT-UHFFFAOYSA-N -1 0 308.338 -0.207 20 0 DBADRM CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCC(=O)CCC(=O)[O-] ZINC001176385288 833406564 /nfs/dbraw/zinc/40/65/64/833406564.db2.gz MNMTZRUMFAPHDD-LLVKDONJSA-N -1 0 310.310 -0.993 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001176593006 833409680 /nfs/dbraw/zinc/40/96/80/833409680.db2.gz AATRLRNVXYYOQM-UHFFFAOYSA-N -1 0 321.341 -0.875 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CN1CC(=O)N(C)C1=O ZINC001176602610 833409729 /nfs/dbraw/zinc/40/97/29/833409729.db2.gz NEUVEJNJCHAIIF-UHFFFAOYSA-N -1 0 309.330 -0.922 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CCN1C(=O)CCC1=O ZINC001176594624 833410030 /nfs/dbraw/zinc/41/00/30/833410030.db2.gz SBORCEXSLNRAFU-UHFFFAOYSA-N -1 0 308.342 -0.277 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)Nc2cc(F)ncn2)c1[O-] ZINC001121456561 829484314 /nfs/dbraw/zinc/48/43/14/829484314.db2.gz XATMTBMRRXVLQU-SSDOTTSWSA-N -1 0 310.289 -0.444 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)[C@@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176668633 833416084 /nfs/dbraw/zinc/41/60/84/833416084.db2.gz RKDWKLSMAGVFHR-KNODYTOMSA-N -1 0 324.318 -0.582 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)[C@]2(C(=O)[O-])C[NH2+]CCO2)C12CCC2 ZINC001121888135 829523654 /nfs/dbraw/zinc/52/36/54/829523654.db2.gz QBKVYGJRDOHKGI-HFAKWTLXSA-N -1 0 312.366 -0.107 20 0 DBADRM COC1CC(CCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC001121926057 829529327 /nfs/dbraw/zinc/52/93/27/829529327.db2.gz OMIVNIULFJVMHY-UHFFFAOYSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C(Cc1nnn[n-]1)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001176841397 833423152 /nfs/dbraw/zinc/42/31/52/833423152.db2.gz YPUXHGMKECTTLS-VHSXEESVSA-N -1 0 316.321 -0.292 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCN(CCOc2ccccc2)CC1 ZINC001176840778 833423169 /nfs/dbraw/zinc/42/31/69/833423169.db2.gz NFDREUHNTVUVLN-UHFFFAOYSA-N -1 0 316.365 -0.035 20 0 DBADRM CN(C)S(=O)(=O)c1ccccc1NC(=O)Cc1nnn[n-]1 ZINC001176842309 833423250 /nfs/dbraw/zinc/42/32/50/833423250.db2.gz GOCNWLSCWBDLQM-UHFFFAOYSA-N -1 0 310.339 -0.369 20 0 DBADRM COC(=O)c1c[nH]c2ncnc(NC(=O)Cc3nnn[n-]3)c12 ZINC001176840972 833423315 /nfs/dbraw/zinc/42/33/15/833423315.db2.gz ZVMKUOKLWLGGKB-UHFFFAOYSA-N -1 0 302.254 -0.561 20 0 DBADRM O=C(Cc1nnn[n-]1)N[C@H]1CCC(=O)N[C@H]1c1ccccc1 ZINC001176847128 833425121 /nfs/dbraw/zinc/42/51/21/833425121.db2.gz JKLALFYQOBRQCZ-HZMBPMFUSA-N -1 0 300.322 -0.122 20 0 DBADRM COC(=O)C[C@H](NC(=O)Cc1nnn[n-]1)C(=O)OC(C)(C)C ZINC001176845837 833425282 /nfs/dbraw/zinc/42/52/82/833425282.db2.gz SPZYRPCJNPQFQH-ZETCQYMHSA-N -1 0 313.314 -0.868 20 0 DBADRM O=C(NC[C@@H](CO)Nc1cccc(F)n1)c1n[nH]c(=O)[n-]c1=O ZINC001122844148 829623704 /nfs/dbraw/zinc/62/37/04/829623704.db2.gz YZHNVBFCKLNVAA-LURJTMIESA-N -1 0 324.272 -0.980 20 0 DBADRM COCc1noc(CNCCNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001125728240 829874781 /nfs/dbraw/zinc/87/47/81/829874781.db2.gz DRFUZANCEWFMOO-UHFFFAOYSA-N -1 0 310.314 -0.527 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNCc2cn(CC3CC3)nn2)c1[O-] ZINC001125734154 829876210 /nfs/dbraw/zinc/87/62/10/829876210.db2.gz HWJMXEFEDZNMDX-UHFFFAOYSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNCc2nc(N(C)C)no2)c1[O-] ZINC001125729411 829876304 /nfs/dbraw/zinc/87/63/04/829876304.db2.gz ZIQXERNPLLIVAO-UHFFFAOYSA-N -1 0 309.330 -0.608 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(C)c(S(N)(=O)=O)c1 ZINC001179623520 833553523 /nfs/dbraw/zinc/55/35/23/833553523.db2.gz OTXYIHVLBCVQAZ-UHFFFAOYSA-N -1 0 301.324 -0.950 20 0 DBADRM C[C@@]1(CO)CN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])CC[C@@H]1O ZINC001180172295 833571123 /nfs/dbraw/zinc/57/11/23/833571123.db2.gz RMDLBCHXEYPDTE-RCOVLWMOSA-N -1 0 317.235 -0.067 20 0 DBADRM C[C@]1(CO)CN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])CC[C@H]1O ZINC001180172292 833571402 /nfs/dbraw/zinc/57/14/02/833571402.db2.gz RMDLBCHXEYPDTE-HZGVNTEJSA-N -1 0 317.235 -0.067 20 0 DBADRM O=C(CN1C[C@@H](c2ccccc2)CC1=O)N[C@@H]1CO[N-]C1=O ZINC001180312648 833581033 /nfs/dbraw/zinc/58/10/33/833581033.db2.gz MRGGWTLPYGFILB-NWDGAFQWSA-N -1 0 303.318 -0.451 20 0 DBADRM Cc1nc(C(=O)N=c2nn[n-]n2C)nn1-c1ccc(F)cc1 ZINC001127555397 830018146 /nfs/dbraw/zinc/01/81/46/830018146.db2.gz QKCBNZAXSDHJDG-UHFFFAOYSA-N -1 0 302.273 -0.087 20 0 DBADRM N=C(NC(=O)Cc1ccnc(N)c1)SCCS(=O)(=O)[O-] ZINC001181265769 833624232 /nfs/dbraw/zinc/62/42/32/833624232.db2.gz UWPGLNSBZKPSRE-UHFFFAOYSA-N -1 0 318.380 -0.122 20 0 DBADRM Cc1cnc([C@@H](C)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001130862830 830400553 /nfs/dbraw/zinc/40/05/53/830400553.db2.gz HPHXHVVBVNOEPG-SSDOTTSWSA-N -1 0 308.298 -0.340 20 0 DBADRM O=C(NCCNCc1ncc(C2CC2)o1)c1n[nH]c(=O)[n-]c1=O ZINC001130863867 830401359 /nfs/dbraw/zinc/40/13/59/830401359.db2.gz XDEOPJNZBBCDQU-UHFFFAOYSA-N -1 0 320.309 -0.332 20 0 DBADRM C[C@H](C(=O)N(C)c1nnn[n-]1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001131169862 830439195 /nfs/dbraw/zinc/43/91/95/830439195.db2.gz PGHNWPGMWATPIT-HLTSFMKQSA-N -1 0 306.326 -0.274 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001131834820 830539878 /nfs/dbraw/zinc/53/98/78/830539878.db2.gz RQNOPTIGZNSTKW-MWLCHTKSSA-N -1 0 324.385 -0.542 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001131834818 830539953 /nfs/dbraw/zinc/53/99/53/830539953.db2.gz RQNOPTIGZNSTKW-GXSJLCMTSA-N -1 0 324.385 -0.542 20 0 DBADRM CCNC(=O)CC(=O)N[C@@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001131984206 830571924 /nfs/dbraw/zinc/57/19/24/830571924.db2.gz HETVVTPXGNPCDR-VHSXEESVSA-N -1 0 324.385 -0.494 20 0 DBADRM Cc1cc(CNCCNC(=O)c2cnc([O-])n(C)c2=O)no1 ZINC001132239895 830611275 /nfs/dbraw/zinc/61/12/75/830611275.db2.gz WMQKWIZGPKHTKT-UHFFFAOYSA-N -1 0 307.310 -0.698 20 0 DBADRM CC(=O)N[C@H](CC(F)(F)F)C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001181339467 833627986 /nfs/dbraw/zinc/62/79/86/833627986.db2.gz MMWBOXMZIGMNHW-FBCQKBJTSA-N -1 0 313.257 -0.131 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)CCCC(N)=O)CN1Cc1n[nH]c(=O)[n-]1 ZINC001132543022 830668553 /nfs/dbraw/zinc/66/85/53/830668553.db2.gz UODXPYHUMCQLKY-UWVGGRQHSA-N -1 0 324.385 -0.365 20 0 DBADRM O=C(Cc1ccc(N2CCNC2=O)cc1)NCS(=O)(=O)[O-] ZINC001182053991 833654077 /nfs/dbraw/zinc/65/40/77/833654077.db2.gz BFWJNUGFCYHOCR-UHFFFAOYSA-N -1 0 313.335 -0.280 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC001134635007 830959550 /nfs/dbraw/zinc/95/95/50/830959550.db2.gz OPVWKNJVQLUYCF-UHFFFAOYSA-N -1 0 319.317 -0.257 20 0 DBADRM O=C(NCCNCc1nccs1)c1c[n-]n2c1nccc2=O ZINC001134938640 830992418 /nfs/dbraw/zinc/99/24/18/830992418.db2.gz DCQSVJHGINVOBP-UHFFFAOYSA-N -1 0 318.362 -0.001 20 0 DBADRM COC(=O)CCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001135707915 831111048 /nfs/dbraw/zinc/11/10/48/831111048.db2.gz FOYHELPFFDTQRZ-UHFFFAOYSA-N -1 0 304.310 -0.242 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)cc1=O ZINC001136977398 831167485 /nfs/dbraw/zinc/16/74/85/831167485.db2.gz IRKCHMUSPZHBQR-FUXBKTLASA-N -1 0 307.310 -0.766 20 0 DBADRM Cn1nnc(C(=O)[N-]N2CC(=O)N(C)C2=O)c1C(F)(F)F ZINC001137607740 831170509 /nfs/dbraw/zinc/17/05/09/831170509.db2.gz QRIRRIBVHRALDM-UHFFFAOYSA-N -1 0 306.204 -0.627 20 0 DBADRM C[C@@H](CO[N-]C(=O)Cn1ncnn1)NC(=O)OC(C)(C)C ZINC001137598942 831170770 /nfs/dbraw/zinc/17/07/70/831170770.db2.gz XOUYAJCNYRPWHX-QMMMGPOBSA-N -1 0 300.319 -0.366 20 0 DBADRM CCOC(Cn1cc(C(=O)[N-]N2CCCC2=O)nn1)OCC ZINC001137762653 831171791 /nfs/dbraw/zinc/17/17/91/831171791.db2.gz LAZHMLPUYLJIHU-UHFFFAOYSA-N -1 0 311.342 -0.056 20 0 DBADRM C[C@@H](C(=O)[N-]OCC(N)=O)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001137887781 831172704 /nfs/dbraw/zinc/17/27/04/831172704.db2.gz WCCVMEWAYABOKX-BDAKNGLRSA-N -1 0 319.358 -0.617 20 0 DBADRM Cn1c(CNC(=O)c2c[n-]n3c2nccc3=O)nnc1C1CC1 ZINC001137924807 831172912 /nfs/dbraw/zinc/17/29/12/831172912.db2.gz OGKRSMJCKRMHFZ-UHFFFAOYSA-N -1 0 313.321 -0.042 20 0 DBADRM CN(C)C(=O)/C=C/C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1 ZINC001137941821 831172921 /nfs/dbraw/zinc/17/29/21/831172921.db2.gz HEWZEXXRNCQVAP-AATRIKPKSA-N -1 0 313.335 -0.378 20 0 DBADRM O=C(/C=C\Cn1cncn1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001138438192 831175798 /nfs/dbraw/zinc/17/57/98/831175798.db2.gz RFGWPJWZBWQUTP-IYABHPQVSA-N -1 0 306.355 -0.336 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NCCc1n[n-]c(=S)o1 ZINC001138520082 831177024 /nfs/dbraw/zinc/17/70/24/831177024.db2.gz WIAKFRWHMFBLLY-UHFFFAOYSA-N -1 0 322.412 -0.311 20 0 DBADRM O=C(NC1CC1)C1(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CC1 ZINC001138987928 831178228 /nfs/dbraw/zinc/17/82/28/831178228.db2.gz VKGDANFNVXGTQR-UHFFFAOYSA-N -1 0 320.353 -0.932 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCO[C@H]1CCCCO1 ZINC001139939602 831183218 /nfs/dbraw/zinc/18/32/18/831183218.db2.gz ZGFOMCROXMOCJA-JTQLQIEISA-N -1 0 300.315 -0.261 20 0 DBADRM CN1C(=S)N=NC1CCCNC(=O)CCCc1nnn[n-]1 ZINC001141459018 831192259 /nfs/dbraw/zinc/19/22/59/831192259.db2.gz GOVNLXCVIMVFQG-UHFFFAOYSA-N -1 0 310.387 -0.311 20 0 DBADRM Cc1nnc(CC(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)o1 ZINC001141999176 831199337 /nfs/dbraw/zinc/19/93/37/831199337.db2.gz YALIPFAMQOSERT-UHFFFAOYSA-N -1 0 322.302 -0.009 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)CNC(=O)c1ccco1 ZINC001142121048 831203229 /nfs/dbraw/zinc/20/32/29/831203229.db2.gz FGIVIZGZDRRESO-QMMMGPOBSA-N -1 0 312.278 -0.468 20 0 DBADRM Cc1cn(CC(=O)Nc2[nH]c(=O)[nH]c(=O)c2N=O)c(=O)[nH]c1=O ZINC001142312985 831208697 /nfs/dbraw/zinc/20/86/97/831208697.db2.gz AQYUWYBWALJAQG-UHFFFAOYSA-N -1 0 322.237 -0.505 20 0 DBADRM O=C(CSc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CO[N-]C1=O ZINC001142380696 831212238 /nfs/dbraw/zinc/21/22/38/831212238.db2.gz ATFZMECASIJKQN-SECBINFHSA-N -1 0 320.330 -0.026 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccccc1O[C@@H]1CC(=O)N1 ZINC001142625813 831216512 /nfs/dbraw/zinc/21/65/12/831216512.db2.gz WUGHVWMQEXLNHU-LLVKDONJSA-N -1 0 319.277 -0.447 20 0 DBADRM C[C@H]1[C@H](NC(=O)C(=O)c2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001142691627 831217530 /nfs/dbraw/zinc/21/75/30/831217530.db2.gz LXCJLSIQBHLCNP-CBAPKCEASA-N -1 0 312.303 -0.612 20 0 DBADRM NC(=O)C(=O)Nc1cccc2c(=O)cc(-c3nnn[n-]3)oc12 ZINC001142940329 831223747 /nfs/dbraw/zinc/22/37/47/831223747.db2.gz SANHSGSXBJCRQB-UHFFFAOYSA-N -1 0 300.234 -0.603 20 0 DBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C(N)=O)cc1 ZINC001142940136 831223848 /nfs/dbraw/zinc/22/38/48/831223848.db2.gz LKQSZDMMTBFHCW-UHFFFAOYSA-N -1 0 301.280 -0.845 20 0 DBADRM O=C([O-])C(=O)N1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1 ZINC001143420620 831237161 /nfs/dbraw/zinc/23/71/61/831237161.db2.gz WXSKRPWQQUVNNY-YUSALJHKSA-N -1 0 310.350 -0.007 20 0 DBADRM Cn1nnc2c1CC[C@H](NC(=O)c1c[n-]n3c1nccc3=O)C2 ZINC001143659838 831241702 /nfs/dbraw/zinc/24/17/02/831241702.db2.gz CSGNCDYOHZUDSI-QMMMGPOBSA-N -1 0 313.321 -0.562 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)[C@H]1[C@@H](O)CCN1Cc1ccccc1 ZINC001143675840 831241713 /nfs/dbraw/zinc/24/17/13/831241713.db2.gz KJPXTKSFZLCCCC-FRRDWIJNSA-N -1 0 305.334 -0.832 20 0 DBADRM CC(C)=CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001143931678 831244250 /nfs/dbraw/zinc/24/42/50/831244250.db2.gz DJWXNJSSTZGASV-NSHDSACASA-N -1 0 308.338 -0.006 20 0 DBADRM CCCC(=O)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001144045637 831244967 /nfs/dbraw/zinc/24/49/67/831244967.db2.gz UGWOMUMCCJIJKW-JTQLQIEISA-N -1 0 324.337 -0.603 20 0 DBADRM COC(=O)/C=C/C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001144103888 831247098 /nfs/dbraw/zinc/24/70/98/831247098.db2.gz BAENBYOWQOGTIU-SNAWJCMRSA-N -1 0 310.287 -0.214 20 0 DBADRM CSCC[C@H](NC(C)=O)C(=O)NCC(=O)CCC(=O)[O-] ZINC001144865527 831261316 /nfs/dbraw/zinc/26/13/16/831261316.db2.gz CZCASMLNUOIZPF-JTQLQIEISA-N -1 0 304.368 -0.206 20 0 DBADRM COC(=O)[C@H](CCC(=O)NC1C(=O)N=CN=C1[O-])NC(C)=O ZINC001144960249 831262971 /nfs/dbraw/zinc/26/29/71/831262971.db2.gz DABXNKOWMXKKNY-ZETCQYMHSA-N -1 0 312.282 -0.716 20 0 DBADRM NC(=O)c1cc([N-]S(=O)(=O)c2cnc(Cl)nc2)ccn1 ZINC001185004908 833776791 /nfs/dbraw/zinc/77/67/91/833776791.db2.gz YJAWYWPKOWBYHT-UHFFFAOYSA-N -1 0 313.726 -0.153 20 0 DBADRM CCOC(=O)c1n[nH]c([C@H](C)NC(=O)COCCOC)n1 ZINC001146854275 831301203 /nfs/dbraw/zinc/30/12/03/831301203.db2.gz DVDRHASMODRUFK-QMMMGPOBSA-N -1 0 300.315 -0.178 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001146985336 831318508 /nfs/dbraw/zinc/31/85/08/831318508.db2.gz HLYIPYUYVHTKSA-SECBINFHSA-N -1 0 322.369 -0.931 20 0 DBADRM COc1nn(C)cc1C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001147024220 831327299 /nfs/dbraw/zinc/32/72/99/831327299.db2.gz LGXIYXHLRXBYTM-UHFFFAOYSA-N -1 0 322.368 -0.286 20 0 DBADRM COc1cnc(C(=O)Nc2[nH]c(=O)nc3[nH]c(=O)[nH]c32)nc1 ZINC001147041693 831330428 /nfs/dbraw/zinc/33/04/28/831330428.db2.gz SVKZPLNLJYGICS-UHFFFAOYSA-N -1 0 303.238 -0.233 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1cnc[nH]1 ZINC001147261609 831353706 /nfs/dbraw/zinc/35/37/06/831353706.db2.gz WUUQXRYOYRPNNQ-VIFPVBQESA-N -1 0 320.309 -0.935 20 0 DBADRM CCc1oncc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001147504100 831377540 /nfs/dbraw/zinc/37/75/40/831377540.db2.gz MRPQLQKQOYTMBQ-XNCJUZBTSA-N -1 0 303.296 -0.631 20 0 DBADRM O=C(NCCNCc1cnon1)c1ccc2oc(=O)nc-2[n-]1 ZINC001147704854 831401117 /nfs/dbraw/zinc/40/11/17/831401117.db2.gz AUADNKHXBBCTFE-UHFFFAOYSA-N -1 0 304.266 -0.169 20 0 DBADRM COC(=O)[C@@H](NC(=O)CSc1n[n-]c(=S)s1)[C@@H](C)O ZINC001177343531 833464168 /nfs/dbraw/zinc/46/41/68/833464168.db2.gz JJRDDWFDNJQSAB-XINAWCOVSA-N -1 0 323.421 -0.043 20 0 DBADRM Cc1ncc(CO)c(C(=O)n2[n-]c3ccnc(=O)c-3c2N)c1O ZINC001147848171 831412018 /nfs/dbraw/zinc/41/20/18/831412018.db2.gz GQAUAJFXHWNJCK-UHFFFAOYSA-N -1 0 315.289 -0.152 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001148033060 831424694 /nfs/dbraw/zinc/42/46/94/831424694.db2.gz UXTIOCJGUBVORX-SECBINFHSA-N -1 0 322.369 -0.944 20 0 DBADRM CN(OCC(F)(F)F)C(=O)CNC(=O)CCCc1nnn[n-]1 ZINC001148090646 831428725 /nfs/dbraw/zinc/42/87/25/831428725.db2.gz BFJDNFWEYYBJOX-UHFFFAOYSA-N -1 0 324.263 -0.409 20 0 DBADRM COC(=O)c1cnc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)cn1 ZINC001148181126 831433982 /nfs/dbraw/zinc/43/39/82/831433982.db2.gz ZGRAKUBFUKZZHP-LURJTMIESA-N -1 0 307.266 -0.810 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2ccc3c(n2)OCCO3)C(=O)N1C ZINC001148188566 831434996 /nfs/dbraw/zinc/43/49/96/831434996.db2.gz YPDDLCJRSPVEOQ-ZETCQYMHSA-N -1 0 306.278 -0.220 20 0 DBADRM CCOc1cc(N)n(C(=O)c2ccn(C)c2CC(=O)[O-])c(=N)n1 ZINC001177363858 833464789 /nfs/dbraw/zinc/46/47/89/833464789.db2.gz VNVZFBGDGFLTSI-UHFFFAOYSA-N -1 0 319.321 -0.002 20 0 DBADRM O=C(CCc1nc(-c2ccccn2)no1)NCc1nnn[n-]1 ZINC001177193243 833460561 /nfs/dbraw/zinc/46/05/61/833460561.db2.gz LHBVVTPFTHJDHP-UHFFFAOYSA-N -1 0 300.282 -0.106 20 0 DBADRM COC(=O)CN1CCN(C(=O)c2ccn(C)c2CC(=O)[O-])CC1 ZINC001177365336 833465062 /nfs/dbraw/zinc/46/50/62/833465062.db2.gz RTCGAKBPFWNSAX-UHFFFAOYSA-N -1 0 323.349 -0.417 20 0 DBADRM Cn1ccc(C(=O)N2CC[C@H](O)[C@](C)(CO)C2)c1CC(=O)[O-] ZINC001177364358 833465137 /nfs/dbraw/zinc/46/51/37/833465137.db2.gz NUJAEDXYBAHZQL-WFASDCNBSA-N -1 0 310.350 -0.142 20 0 DBADRM Cn1ccc(C(=O)N2CC[C@@](C)(CO)[C@H](O)C2)c1CC(=O)[O-] ZINC001177365183 833465228 /nfs/dbraw/zinc/46/52/28/833465228.db2.gz ZUOYDZRTOFYDLQ-DOMZBBRYSA-N -1 0 310.350 -0.142 20 0 DBADRM Cn1ccc(C(=O)N2CCS(=O)(=O)CC2)c1CC(=O)[O-] ZINC001177364632 833465262 /nfs/dbraw/zinc/46/52/62/833465262.db2.gz UYKSXEGOXFIWJM-UHFFFAOYSA-N -1 0 300.336 -0.477 20 0 DBADRM CC(=O)N1CC(NC(=O)c2cc(S(=O)(=O)[O-])ccc2O)C1 ZINC001148928156 831478724 /nfs/dbraw/zinc/47/87/24/831478724.db2.gz WUHHXPQCJGYERR-UHFFFAOYSA-N -1 0 314.319 -0.401 20 0 DBADRM COCCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001148978032 831483843 /nfs/dbraw/zinc/48/38/43/831483843.db2.gz YXQJRFTWQKLHJN-SNVBAGLBSA-N -1 0 313.358 -0.746 20 0 DBADRM CCOCC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001149100532 831494131 /nfs/dbraw/zinc/49/41/31/831494131.db2.gz XMKXFAWBUOWFNT-JTQLQIEISA-N -1 0 313.358 -0.746 20 0 DBADRM C[C@@H](NCCNC(=O)Cn1c(=O)[n-][nH]c1=O)c1csnn1 ZINC001149160451 831501927 /nfs/dbraw/zinc/50/19/27/831501927.db2.gz CLNDXYXMZZDASY-ZCFIWIBFSA-N -1 0 313.343 -0.992 20 0 DBADRM O=C(NCCCc1c[nH][nH]c1=O)c1c[n-]n2c1nccc2=O ZINC001149261648 831511819 /nfs/dbraw/zinc/51/18/19/831511819.db2.gz BWCVDBGALQNVGT-QMMMGPOBSA-N -1 0 302.294 -0.736 20 0 DBADRM CO[C@H](C)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001149309434 831516642 /nfs/dbraw/zinc/51/66/42/831516642.db2.gz GBSAVAUBNBPFOZ-NXEZZACHSA-N -1 0 313.358 -0.748 20 0 DBADRM O=C(NCCCC[P@](=O)([O-])O)C1=CNN2C=CNC=C12 ZINC001149467211 831538643 /nfs/dbraw/zinc/53/86/43/831538643.db2.gz TZJUKESLBLNUPQ-UHFFFAOYSA-N -1 0 300.255 -0.320 20 0 DBADRM CNc1ccc2ncc(C(=O)N[C@H]3SC(=O)[N-]C3=O)n2n1 ZINC001149638709 831557082 /nfs/dbraw/zinc/55/70/82/831557082.db2.gz UFYAHGYZRWROJF-JTQLQIEISA-N -1 0 306.307 -0.190 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001150092253 831591980 /nfs/dbraw/zinc/59/19/80/831591980.db2.gz QYOHMBZYKSWOOY-UWVGGRQHSA-N -1 0 315.349 -0.035 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001150092252 831592202 /nfs/dbraw/zinc/59/22/02/831592202.db2.gz QYOHMBZYKSWOOY-NXEZZACHSA-N -1 0 315.349 -0.035 20 0 DBADRM COCCCn1cc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cn1 ZINC001150802895 831647110 /nfs/dbraw/zinc/64/71/10/831647110.db2.gz HUKOBPBBIFLATQ-LLVKDONJSA-N -1 0 321.341 -0.354 20 0 DBADRM Cc1ccn2ncc(C(=O)N3CCOC[C@@H]3c3nnn[n-]3)c2n1 ZINC001150804550 831647996 /nfs/dbraw/zinc/64/79/96/831647996.db2.gz ZMRFFAZSRHFWNY-SNVBAGLBSA-N -1 0 314.309 -0.235 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)Cc1cnn(C)c1 ZINC001152387129 831745643 /nfs/dbraw/zinc/74/56/43/831745643.db2.gz WXNISOMOATWJRW-SNVBAGLBSA-N -1 0 321.385 -0.187 20 0 DBADRM CN(C[C@@H](O)CO)C(=O)c1sc(C(=O)[O-])c2c1OCCO2 ZINC001152701072 831770580 /nfs/dbraw/zinc/77/05/80/831770580.db2.gz MQTBDDYEXLPPNX-ZCFIWIBFSA-N -1 0 317.319 -0.357 20 0 DBADRM CCNC(=O)CC(=O)NC[C@@H](C)N(CC)Cc1n[nH]c(=O)[n-]1 ZINC001152882909 831780327 /nfs/dbraw/zinc/78/03/27/831780327.db2.gz JRMAMRDHHNLLEC-SECBINFHSA-N -1 0 312.374 -0.637 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1cc(=O)n(C)o1 ZINC001153007804 831786928 /nfs/dbraw/zinc/78/69/28/831786928.db2.gz YEALJEGDAKFIBR-MRVPVSSYSA-N -1 0 324.341 -0.558 20 0 DBADRM O=C(c1c[n-]c2cccnc2c1=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001153859195 831841015 /nfs/dbraw/zinc/84/10/15/831841015.db2.gz XYZQJOGHNRNUOY-JOYOIKCWSA-N -1 0 303.318 -0.262 20 0 DBADRM O=C(c1c[n-]c2cccnc2c1=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001153859203 831841361 /nfs/dbraw/zinc/84/13/61/831841361.db2.gz YKNLUBJUIIWWGF-CABZTGNLSA-N -1 0 303.318 -0.262 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001153918486 831849886 /nfs/dbraw/zinc/84/98/86/831849886.db2.gz HTWVLYMJRAEEJG-SSDOTTSWSA-N -1 0 323.357 -0.112 20 0 DBADRM CC(=O)c1ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)s1 ZINC001154155112 831864486 /nfs/dbraw/zinc/86/44/86/831864486.db2.gz QAKRKVGDGPRKFI-UHFFFAOYSA-N -1 0 319.364 -0.459 20 0 DBADRM Cn1cc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)n(C)c1=O ZINC001154321387 831872024 /nfs/dbraw/zinc/87/20/24/831872024.db2.gz LAVLJHXRUNRQDE-UHFFFAOYSA-N -1 0 315.293 -0.343 20 0 DBADRM COC(COCCNC(=O)c1c[n-]n2c1nccc2=O)OC ZINC001154476654 831882469 /nfs/dbraw/zinc/88/24/69/831882469.db2.gz VYYJYZRUYUMMRQ-UHFFFAOYSA-N -1 0 310.310 -0.612 20 0 DBADRM Cn1cc(C(=O)Nc2cc(=O)n(C)c([O-])n2)c(=O)c2cccn21 ZINC001154654408 831893431 /nfs/dbraw/zinc/89/34/31/831893431.db2.gz LPUFHTBZWLCSFL-UHFFFAOYSA-N -1 0 315.289 -0.310 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1c[nH]n2nc(C)nc12 ZINC001154668055 831894450 /nfs/dbraw/zinc/89/44/50/831894450.db2.gz PVFZJNKQHQFZHZ-QMMMGPOBSA-N -1 0 309.282 -0.498 20 0 DBADRM CCS(=O)(=O)N1CCN(c2nccnc2CC(=O)[O-])CC1 ZINC001154807863 831900907 /nfs/dbraw/zinc/90/09/07/831900907.db2.gz IHXVFXOMCIHLKC-UHFFFAOYSA-N -1 0 314.367 -0.425 20 0 DBADRM O=C(C[C@@H]1CC(=O)NC1=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001155746703 831950147 /nfs/dbraw/zinc/95/01/47/831950147.db2.gz YJYBALYQIMIIAR-SFYZADRCSA-N -1 0 307.310 -0.731 20 0 DBADRM O=C(NCc1nnn[n-]1)c1nnc2cc(Br)ccn21 ZINC001155934623 831960228 /nfs/dbraw/zinc/96/02/28/831960228.db2.gz PXHAIMWUZWTJJZ-UHFFFAOYSA-N -1 0 323.114 -0.065 20 0 DBADRM N=C(NC(=O)c1cnn2c1OCC2)SCCS(=O)(=O)[O-] ZINC001156187834 831973735 /nfs/dbraw/zinc/97/37/35/831973735.db2.gz JOWZCMBXNIFNQI-UHFFFAOYSA-N -1 0 320.352 -0.439 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cn2ccnc2cn1 ZINC001156209046 831975069 /nfs/dbraw/zinc/97/50/69/831975069.db2.gz IDGRWEROAMETAO-QMMMGPOBSA-N -1 0 306.278 -0.135 20 0 DBADRM CCN(CC(N)=O)[C@H](C)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001156359622 831980971 /nfs/dbraw/zinc/98/09/71/831980971.db2.gz XILTZDDNDRUYGO-MRVPVSSYSA-N -1 0 321.337 -0.146 20 0 DBADRM Cc1nccn2c(C(=O)Nc3c(N)nc([O-])[nH]c3=O)nnc12 ZINC001156405305 831983285 /nfs/dbraw/zinc/98/32/85/831983285.db2.gz HDPPKBCPVGUHSP-UHFFFAOYSA-N -1 0 302.254 -0.532 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2nc(OC)cc(OC)n2)C1=O ZINC001156426101 831984047 /nfs/dbraw/zinc/98/40/47/831984047.db2.gz QQPSOZMOIFMEPP-CYBMUJFWSA-N -1 0 323.309 -0.141 20 0 DBADRM COC(=O)C1CCN(c2nccnc2N[C@@H]2CO[N-]C2=O)CC1 ZINC001156694542 831994918 /nfs/dbraw/zinc/99/49/18/831994918.db2.gz GJJYNCUUYCYETG-SNVBAGLBSA-N -1 0 321.337 -0.292 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)[N-]OCC(C)(C)O ZINC001156707470 831995847 /nfs/dbraw/zinc/99/58/47/831995847.db2.gz FJMXQWBICIGBSZ-GXSJLCMTSA-N -1 0 302.371 -0.139 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)Cn1cncn1 ZINC001156781880 831998740 /nfs/dbraw/zinc/99/87/40/831998740.db2.gz OWDIZBLBKUQLJA-SECBINFHSA-N -1 0 308.346 -0.871 20 0 DBADRM C[C@H]1[C@H](Nc2cc(Cl)nc(N)n2)C(=O)N1S(=O)(=O)[O-] ZINC001157065079 832018364 /nfs/dbraw/zinc/01/83/64/832018364.db2.gz OANRLHOAANDDFA-DZSWIPIPSA-N -1 0 307.719 -0.474 20 0 DBADRM C[C@H]1[C@H](Nc2ncc(OC(F)F)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001157070263 832019023 /nfs/dbraw/zinc/01/90/23/832019023.db2.gz FHIAIPLUBQSSCF-NJGYIYPDSA-N -1 0 324.265 -0.108 20 0 DBADRM C[C@H]1[C@H](Nc2nccc3c2C(=O)NC3)C(=O)N1S(=O)(=O)[O-] ZINC001157071443 832019054 /nfs/dbraw/zinc/01/90/54/832019054.db2.gz UEESQMCDADZZHL-XNCJUZBTSA-N -1 0 312.307 -0.861 20 0 DBADRM COc1nc(C)cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157070272 832019206 /nfs/dbraw/zinc/01/92/06/832019206.db2.gz FPXWVIFKUWFACE-XPUUQOCRSA-N -1 0 302.312 -0.392 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2C[C@@H]3C[C@H]2C(=O)O3)nc1 ZINC001157298615 832032616 /nfs/dbraw/zinc/03/26/16/832032616.db2.gz IETVFTSAGVZJHT-WPRPVWTQSA-N -1 0 311.319 -0.590 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1nonc1C ZINC001157299033 832032876 /nfs/dbraw/zinc/03/28/76/832032876.db2.gz VQRMMIBERHJQCZ-SSDOTTSWSA-N -1 0 309.330 -0.158 20 0 DBADRM O=P([O-])([O-])OCCNc1ccc(N2CC[NH2+]CC2)nn1 ZINC001157787589 832063959 /nfs/dbraw/zinc/06/39/59/832063959.db2.gz OCMOZGPGRMJLOO-UHFFFAOYSA-N -1 0 303.259 -0.593 20 0 DBADRM Cc1cc(C(=O)NCCC[NH2+]Cc2n[nH]c(=O)[n-]2)c(C)nn1 ZINC001158901716 832142862 /nfs/dbraw/zinc/14/28/62/832142862.db2.gz NFMQHVHDSCMIKZ-UHFFFAOYSA-N -1 0 305.342 -0.173 20 0 DBADRM CC(C)OC1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185657511 833804396 /nfs/dbraw/zinc/80/43/96/833804396.db2.gz XGFKSBMPARGCPG-UHFFFAOYSA-N -1 0 308.275 -0.829 20 0 DBADRM CN(CC(=O)NCCOC(F)(F)F)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662305 833804688 /nfs/dbraw/zinc/80/46/88/833804688.db2.gz BGHLPPKHIUJNML-UHFFFAOYSA-N -1 0 322.180 -0.812 20 0 DBADRM CO[C@@H]1CCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185656887 833804937 /nfs/dbraw/zinc/80/49/37/833804937.db2.gz JNDOKUFTXJQHKO-MRVPVSSYSA-N -1 0 308.275 -0.827 20 0 DBADRM CC(=O)[C@@H]1CCCN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663232 833805111 /nfs/dbraw/zinc/80/51/11/833805111.db2.gz XYADQOQEJKKQCE-QMMMGPOBSA-N -1 0 306.259 -0.885 20 0 DBADRM C[C@@H]1COCC[C@H]1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664706 833805391 /nfs/dbraw/zinc/80/53/91/833805391.db2.gz YPNDHJSSHIXQPI-HTQZYQBOSA-N -1 0 308.275 -0.924 20 0 DBADRM COC(=O)[C@H]1CCN(CC(=O)NCCCC[P@@](=O)([O-])O)C1 ZINC001186115714 833832291 /nfs/dbraw/zinc/83/22/91/833832291.db2.gz JZZWVLVBNSCIEC-JTQLQIEISA-N -1 0 322.298 -0.445 20 0 DBADRM CCOCCC[N@@H+]1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001269336823 832417582 /nfs/dbraw/zinc/41/75/82/832417582.db2.gz FHYWDXBAOYPPJQ-JTQLQIEISA-N -1 0 313.358 -0.694 20 0 DBADRM CC[C@@H](C)N1CC[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269576454 832450934 /nfs/dbraw/zinc/45/09/34/832450934.db2.gz MMFVIQPOQXNZFZ-YGRLFVJLSA-N -1 0 306.370 -0.008 20 0 DBADRM CC(=O)[C@H](C)N1CC[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269576502 832451113 /nfs/dbraw/zinc/45/11/13/832451113.db2.gz NMQOWVZPXQWXME-LKFCYVNXSA-N -1 0 320.353 -0.829 20 0 DBADRM CC(C)=CCN1C(=O)COCC12CN(C(=O)Cc1nnn[n-]1)C2 ZINC001269576317 832451256 /nfs/dbraw/zinc/45/12/56/832451256.db2.gz IBDKFHXAPBLXDZ-UHFFFAOYSA-N -1 0 320.353 -0.852 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1cc2c([nH]1)CN(C(=O)CCF)CC2 ZINC001269582432 832451847 /nfs/dbraw/zinc/45/18/47/832451847.db2.gz CJEZUSNEUATMLN-UHFFFAOYSA-N -1 0 321.316 -0.543 20 0 DBADRM O=C(Cc1nnn[n-]1)N1C[C@@H]2OCCN(C3CCCC3)[C@H]2C1 ZINC001270182939 832510085 /nfs/dbraw/zinc/51/00/85/832510085.db2.gz OEQBEACXHDHOAG-RYUDHWBXSA-N -1 0 306.370 -0.404 20 0 DBADRM CN1CCO[C@]2(CCCN(C(=O)Cn3nn[n-]c3=S)C2)C1 ZINC001270300511 832521406 /nfs/dbraw/zinc/52/14/06/832521406.db2.gz YBBAJVRTTXCVNA-GFCCVEGCSA-N -1 0 312.399 -0.715 20 0 DBADRM CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)C[N-]C(=O)C(F)(F)F ZINC001270670896 832563898 /nfs/dbraw/zinc/56/38/98/832563898.db2.gz YNRMSUOVQMFQGG-HTQZYQBOSA-N -1 0 307.272 -0.113 20 0 DBADRM CN1CC[C@@]2(CCCN2C(=O)C[N-]C(=O)C(F)(F)F)C1=O ZINC001270669597 832563908 /nfs/dbraw/zinc/56/39/08/832563908.db2.gz JCIHBHZWZKVYCP-NSHDSACASA-N -1 0 307.272 -0.112 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@@H]2C[C@@]21C(=O)N1CCCC12CC2 ZINC001270789025 832578117 /nfs/dbraw/zinc/57/81/17/832578117.db2.gz MNNGDFUCMXZQTM-BMIGLBTASA-N -1 0 316.365 -0.112 20 0 DBADRM O=C(Cc1nnn[n-]1)NC12CC(C(=O)N3CCCCO3)(C1)C2 ZINC001270787961 832578469 /nfs/dbraw/zinc/57/84/69/832578469.db2.gz CBBPYUZZTONYEJ-UHFFFAOYSA-N -1 0 306.326 -0.665 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)Cc2nnn[n-]2)[C@H]1c1ccccc1 ZINC001270789525 832578773 /nfs/dbraw/zinc/57/87/73/832578773.db2.gz SDUPYZOXQULVED-MFKMUULPSA-N -1 0 300.322 -0.183 20 0 DBADRM CN(C)C(=O)[C@H]1CCC[C@]12CCN(C(=O)Cc1nnn[n-]1)C2 ZINC001270789170 832578872 /nfs/dbraw/zinc/57/88/72/832578872.db2.gz OAHLFCGXEDAIJX-QMTHXVAHSA-N -1 0 306.370 -0.151 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C[C@H]2C(=O)N2CC=CC2)C1 ZINC001270938131 832598632 /nfs/dbraw/zinc/59/86/32/832598632.db2.gz AFMRPTYVKLQTLO-VIFPVBQESA-N -1 0 320.378 -0.791 20 0 DBADRM CO[C@H](C)CC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001187273372 833913107 /nfs/dbraw/zinc/91/31/07/833913107.db2.gz WYYGKZJESHEVPR-GRYCIOLGSA-N -1 0 323.397 -0.434 20 0 DBADRM CN1CC2(CCC1=O)CCN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)CC2 ZINC001271609220 832686575 /nfs/dbraw/zinc/68/65/75/832686575.db2.gz QGEZXSPGZMQTID-UHFFFAOYSA-N -1 0 320.349 -0.462 20 0 DBADRM C[C@H]1[C@H](NC(=O)C2(C(=O)C3CC3)CC2)C(=O)N1S(=O)(=O)[O-] ZINC001187653447 833937410 /nfs/dbraw/zinc/93/74/10/833937410.db2.gz QYGJSUKQHYUVNU-XPUUQOCRSA-N -1 0 316.335 -0.736 20 0 DBADRM COC(=O)CCS(=O)(=O)NCC[N-]C(=O)C(F)(F)F ZINC001188401935 833983101 /nfs/dbraw/zinc/98/31/01/833983101.db2.gz YXNXZVIRHDDRQB-UHFFFAOYSA-N -1 0 306.262 -0.853 20 0 DBADRM C[C@@H](F)C(=O)N1CCc2cc(C(=O)N=c3nn[n-]n3C)[nH]c2C1 ZINC001272009694 832730661 /nfs/dbraw/zinc/73/06/61/832730661.db2.gz MOFNXLVRGXNUEE-SSDOTTSWSA-N -1 0 321.316 -0.545 20 0 DBADRM CCOC(=O)c1nccnc1[N-]S(=O)(=O)CCC(=O)OC ZINC001188355613 833978741 /nfs/dbraw/zinc/97/87/41/833978741.db2.gz QNHBVQJDMRZFCD-UHFFFAOYSA-N -1 0 317.323 -0.042 20 0 DBADRM CCOC(=O)c1ccnnc1[N-]S(=O)(=O)CCC(=O)OC ZINC001188355225 833978779 /nfs/dbraw/zinc/97/87/79/833978779.db2.gz GKNXBKFVULGQEP-UHFFFAOYSA-N -1 0 317.323 -0.042 20 0 DBADRM NC(=O)[C@H]1CC12CCN(C(=O)C[N-]C(=O)C(F)(F)F)CC2 ZINC001272264861 832764131 /nfs/dbraw/zinc/76/41/31/832764131.db2.gz KKTIYAJVNNRHPH-SSDOTTSWSA-N -1 0 307.272 -0.221 20 0 DBADRM NC(=O)c1[nH]nc2c1CCN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001272264841 832764420 /nfs/dbraw/zinc/76/44/20/832764420.db2.gz KGVZNFHPRJHICH-UHFFFAOYSA-N -1 0 319.243 -0.928 20 0 DBADRM CCCCN1C(=O)COCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001272282796 832766967 /nfs/dbraw/zinc/76/69/67/832766967.db2.gz KGCAHTTVOXYFOO-UHFFFAOYSA-N -1 0 308.338 -0.031 20 0 DBADRM C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1=O ZINC001272286501 832768038 /nfs/dbraw/zinc/76/80/38/832768038.db2.gz QAUGKSOHKQCSJZ-HNNXBMFYSA-N -1 0 321.381 -0.259 20 0 DBADRM Cc1nc(NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)nn1C ZINC001159795922 832845601 /nfs/dbraw/zinc/84/56/01/832845601.db2.gz QTKQQUQMQTYOJL-UHFFFAOYSA-N -1 0 315.293 -0.045 20 0 DBADRM COC(=O)C[C@H](C)N(OC)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001159965306 832863238 /nfs/dbraw/zinc/86/32/38/832863238.db2.gz AQYDMTVSWNEWMP-LURJTMIESA-N -1 0 304.328 -0.056 20 0 DBADRM O=C(Cn1ncc(=O)c2ccccc21)Nn1c(=O)[n-][nH]c1=O ZINC001160073287 832871561 /nfs/dbraw/zinc/87/15/61/832871561.db2.gz JNHNUTLNPQIPAF-UHFFFAOYSA-N -1 0 302.250 -0.831 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cccc(Cn2cncn2)c1 ZINC001160073171 832871966 /nfs/dbraw/zinc/87/19/66/832871966.db2.gz HFLBGFPJEWWBDW-UHFFFAOYSA-N -1 0 301.266 -0.287 20 0 DBADRM Cc1cn(C2CCOCC2)nc1C(=O)[N-]N1CC(=O)NC1=O ZINC001160529571 832913539 /nfs/dbraw/zinc/91/35/39/832913539.db2.gz FXHYJAJWRBCTRH-UHFFFAOYSA-N -1 0 307.310 -0.260 20 0 DBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]N1CC(=O)NC1=O ZINC001160522520 832913849 /nfs/dbraw/zinc/91/38/49/832913849.db2.gz UPZSUHJSNCXKTJ-UHFFFAOYSA-N -1 0 305.250 -0.968 20 0 DBADRM CS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)nn2)[n-]1 ZINC001160664309 832932085 /nfs/dbraw/zinc/93/20/85/832932085.db2.gz CWBRLOHIDHQUBU-UHFFFAOYSA-N -1 0 302.703 -0.096 20 0 DBADRM [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001160766241 832941332 /nfs/dbraw/zinc/94/13/32/832941332.db2.gz OCEQHAFOXBPUDL-VUBPFVNUSA-N -1 0 306.248 -1.000 20 0 DBADRM COc1nc(Cl)nc(Nc2c([S-])[nH]c(=O)[nH]c2=O)n1 ZINC001160847595 832949903 /nfs/dbraw/zinc/94/99/03/832949903.db2.gz BGBROYGLSMVACP-UWTATZPHSA-N -1 0 302.703 -0.519 20 0 DBADRM CNS(=O)(=O)c1cccnc1NCC(=O)CCC(=O)[O-] ZINC001160874209 832955826 /nfs/dbraw/zinc/95/58/26/832955826.db2.gz IIRLYPICENTYBC-UHFFFAOYSA-N -1 0 301.324 -0.165 20 0 DBADRM Cc1nc(C)c(CC(=O)NCCCc2n[nH]c(=O)[n-]2)c(=O)[nH]1 ZINC001160880459 832956210 /nfs/dbraw/zinc/95/62/10/832956210.db2.gz WISXPZULPHNCRK-UHFFFAOYSA-N -1 0 306.326 -0.086 20 0 DBADRM CNC(=O)CN1CCC(Nc2nccnc2CC(=O)[O-])CC1 ZINC001161139773 832983239 /nfs/dbraw/zinc/98/32/39/832983239.db2.gz HCRIQFDJPUEZJN-UHFFFAOYSA-N -1 0 307.354 -0.274 20 0 DBADRM Cn1cnnc1CCC(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001177433094 833468561 /nfs/dbraw/zinc/46/85/61/833468561.db2.gz WNVUXHDKHQYGBP-UHFFFAOYSA-N -1 0 321.384 -0.580 20 0 DBADRM Cc1cccn2c(CNC(=O)Cn3nn[n-]c3=S)nnc12 ZINC001177735399 833480401 /nfs/dbraw/zinc/48/04/01/833480401.db2.gz GWZCVAIKPJPGAH-UHFFFAOYSA-N -1 0 304.339 -0.371 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1cncc(N2CCOCC2)c1 ZINC001177736354 833480559 /nfs/dbraw/zinc/48/05/59/833480559.db2.gz LKKIAZWLXMSTEA-UHFFFAOYSA-N -1 0 321.366 -0.168 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1ccnn1Br ZINC001177736311 833480593 /nfs/dbraw/zinc/48/05/93/833480593.db2.gz JUKRDASNMBPOIN-UHFFFAOYSA-N -1 0 304.133 -0.045 20 0 DBADRM COc1nc(NC(=O)Cn2nn[n-]c2=S)c(C)c(OC)n1 ZINC001177736523 833480612 /nfs/dbraw/zinc/48/06/12/833480612.db2.gz RQKKININNIHXLT-UHFFFAOYSA-N -1 0 311.327 -0.284 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1nccnc1N1CCOCC1 ZINC001177735602 833480678 /nfs/dbraw/zinc/48/06/78/833480678.db2.gz KXFBIYPUQCDLCI-UHFFFAOYSA-N -1 0 322.354 -0.773 20 0 DBADRM Nc1ccc(-c2nc(=O)on2C(=O)Cn2nn[n-]c2=S)cc1 ZINC001177740937 833481005 /nfs/dbraw/zinc/48/10/05/833481005.db2.gz LKSKFCNDDGESPY-UHFFFAOYSA-N -1 0 319.306 -0.299 20 0 DBADRM Nc1cccnc1N1CCN(C(=O)Cn2nn[n-]c2=S)CC1 ZINC001177739341 833481056 /nfs/dbraw/zinc/48/10/56/833481056.db2.gz NLUDEWJRKMDSMF-UHFFFAOYSA-N -1 0 320.382 -0.712 20 0 DBADRM Nc1nc(=O)c2ccccc2n1C(=O)Cn1nn[n-]c1=S ZINC001177742241 833481102 /nfs/dbraw/zinc/48/11/02/833481102.db2.gz ALQMUBCEFOIWLT-UHFFFAOYSA-N -1 0 303.307 -0.163 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CC2CC1(C(=O)N1CCCC1)C2 ZINC001177740010 833481112 /nfs/dbraw/zinc/48/11/12/833481112.db2.gz YXOMVKMQJIOAFE-UHFFFAOYSA-N -1 0 322.394 -0.425 20 0 DBADRM CCO[C@@H]1CN(C(=O)Cn2nn[n-]c2=S)[C@@H]2CCCO[C@H]12 ZINC001177739894 833481117 /nfs/dbraw/zinc/48/11/17/833481117.db2.gz XTFMMNORVVGCPD-KKZNHRDASA-N -1 0 313.383 -0.243 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NCC(=O)N1CCc2ccccc21 ZINC001177744204 833481605 /nfs/dbraw/zinc/48/16/05/833481605.db2.gz RKGTVJVGFIZRDK-UHFFFAOYSA-N -1 0 318.362 -0.333 20 0 DBADRM CC(C)Oc1nccc(CNC(=O)Cn2nn[n-]c2=S)n1 ZINC001177744059 833481675 /nfs/dbraw/zinc/48/16/75/833481675.db2.gz UFBYFOHKHNLHCY-UHFFFAOYSA-N -1 0 309.355 -0.145 20 0 DBADRM COC(=O)[C@H](COC(C)(C)C)NC(=O)Cn1nn[n-]c1=S ZINC001177743937 833481677 /nfs/dbraw/zinc/48/16/77/833481677.db2.gz OACDPAWPQMXLCK-ZETCQYMHSA-N -1 0 317.371 -0.565 20 0 DBADRM Cn1cc2c(n1)[C@H](CNC(=O)Cn1nn[n-]c1=S)OCC2 ZINC001177744422 833481717 /nfs/dbraw/zinc/48/17/17/833481717.db2.gz WQMHAIZICPPEEP-QMMMGPOBSA-N -1 0 309.355 -0.875 20 0 DBADRM COC[C@@H](NC(=O)CCCCN1CCOCC1)c1nnn[n-]1 ZINC001177829189 833483150 /nfs/dbraw/zinc/48/31/50/833483150.db2.gz WUCCLHZJARTZKS-LLVKDONJSA-N -1 0 312.374 -0.494 20 0 DBADRM Cn1cc(C(=O)C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)cn1 ZINC001177866294 833484509 /nfs/dbraw/zinc/48/45/09/833484509.db2.gz JNTWSVDBUHDTKQ-SECBINFHSA-N -1 0 303.326 -0.403 20 0 DBADRM O=C(NCCCC[P@](=O)([O-])O)C1CN(c2cnccn2)C1 ZINC001178098379 833493350 /nfs/dbraw/zinc/49/33/50/833493350.db2.gz YXTSFGQMTPZKOK-UHFFFAOYSA-N -1 0 314.282 -0.013 20 0 DBADRM Nc1c2c(=O)nccc-2[n-]n1C(=O)C1CN(c2cnccn2)C1 ZINC001178100179 833493657 /nfs/dbraw/zinc/49/36/57/833493657.db2.gz HJZYJQSCYULWNQ-UHFFFAOYSA-N -1 0 311.305 -0.175 20 0 DBADRM O=C(Cc1nnc(Cc2ccccc2)[nH]1)NCS(=O)(=O)[O-] ZINC001178419333 833506838 /nfs/dbraw/zinc/50/68/38/833506838.db2.gz CTOFTWNUEKVGOL-UHFFFAOYSA-N -1 0 310.335 -0.101 20 0 DBADRM CS(C)(=O)=NCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001178455931 833507293 /nfs/dbraw/zinc/50/72/93/833507293.db2.gz OGOABBSDBWIGEB-UHFFFAOYSA-N -1 0 323.382 -0.468 20 0 DBADRM CC(C)(C)OC(=O)N1CC(F)(C(=O)N[C@@H]2CO[N-]C2=O)C1 ZINC001178553500 833513802 /nfs/dbraw/zinc/51/38/02/833513802.db2.gz HDHNEAITRSGHLM-SSDOTTSWSA-N -1 0 303.290 -0.508 20 0 DBADRM O=C(CN1c2ccccc2C(=O)C1=O)N[C@H]1SC(=O)[N-]C1=O ZINC001180052348 833567987 /nfs/dbraw/zinc/56/79/87/833567987.db2.gz OLCWWZGMHNYXIP-NSHDSACASA-N -1 0 319.298 -0.359 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001180636944 833596172 /nfs/dbraw/zinc/59/61/72/833596172.db2.gz ITKSVUCUAUMIPJ-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@H]2C[C@@]2(F)Cl)C(=O)N1S(=O)(=O)[O-] ZINC001181665710 833639702 /nfs/dbraw/zinc/63/97/02/833639702.db2.gz DVCFPVIGQGFHBQ-WVBYAZCYSA-N -1 0 300.695 -0.571 20 0 DBADRM O=C(COc1ccc(Cl)cc1CO)N[C@@H]1CO[N-]C1=O ZINC001182310237 833668511 /nfs/dbraw/zinc/66/85/11/833668511.db2.gz NPIYWHFGMQSKSC-SECBINFHSA-N -1 0 300.698 -0.243 20 0 DBADRM C[C@@H](O)[C@@H](C(=O)N[C@@H]1CO[N-]C1=O)N(C)C(=O)OC(C)(C)C ZINC001182957950 833697064 /nfs/dbraw/zinc/69/70/64/833697064.db2.gz CXVSIVZELKLZEC-HLTSFMKQSA-N -1 0 317.342 -0.851 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)C2CN(S(C)(=O)=O)C2)[n-]1 ZINC001183017529 833700997 /nfs/dbraw/zinc/70/09/97/833700997.db2.gz HOMSVODUHIFUDH-UHFFFAOYSA-N -1 0 316.339 -0.584 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](CO)C(F)(F)F ZINC001183287513 833712291 /nfs/dbraw/zinc/71/22/91/833712291.db2.gz IGCZEXLUKHDSTL-RITPCOANSA-N -1 0 301.217 -0.320 20 0 DBADRM CC(C)C[C@@](C)(O)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001183970304 833743907 /nfs/dbraw/zinc/74/39/07/833743907.db2.gz NOVLKWOGBUSWDC-DKCNOQQISA-N -1 0 308.356 -0.698 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)[C@H]1COCCN1Cc1ccccc1 ZINC001184018396 833745351 /nfs/dbraw/zinc/74/53/51/833745351.db2.gz BWFVXHJWSVLEEE-CHWSQXEVSA-N -1 0 305.334 -0.566 20 0 DBADRM C[C@@H]1NC(=O)[C@H](CCC(=O)NCc2ncccc2O)NC1=O ZINC001184092808 833748476 /nfs/dbraw/zinc/74/84/76/833748476.db2.gz FNKULIJYAKTFHO-IUCAKERBSA-N -1 0 306.322 -0.813 20 0 DBADRM CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1nnn[n-]1 ZINC001184180894 833751475 /nfs/dbraw/zinc/75/14/75/833751475.db2.gz UTIMCYFVJIVLLI-ZETCQYMHSA-N -1 0 300.319 -0.644 20 0 DBADRM CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001184180790 833751784 /nfs/dbraw/zinc/75/17/84/833751784.db2.gz OQXXNMKCCFPKIW-ZETCQYMHSA-N -1 0 315.330 -0.334 20 0 DBADRM CN(CC(=O)NCS(=O)(=O)[O-])S(=O)(=O)c1ccccc1 ZINC001184413344 833759421 /nfs/dbraw/zinc/75/94/21/833759421.db2.gz RVRFHJJFGHLSPA-UHFFFAOYSA-N -1 0 322.364 -0.731 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)C1COC(C)(C)OC1 ZINC001184456565 833760144 /nfs/dbraw/zinc/76/01/44/833760144.db2.gz NLJIKBNURAHCHI-VIFPVBQESA-N -1 0 303.311 -0.092 20 0 DBADRM CCCC[C@H](NC=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001184589050 833764569 /nfs/dbraw/zinc/76/45/69/833764569.db2.gz IEPVTFMNGWDMKM-UWVGGRQHSA-N -1 0 302.327 -0.186 20 0 DBADRM COc1ccc(S(=O)(=O)N(C)C[C@@H](O)CO)cc1C(=O)[O-] ZINC001185283706 833790038 /nfs/dbraw/zinc/79/00/38/833790038.db2.gz VTUOZZCRZWTNNI-MRVPVSSYSA-N -1 0 319.335 -0.633 20 0 DBADRM COc1ccc(S(=O)(=O)NCC(=O)CCO)cc1C(=O)[O-] ZINC001185326049 833792018 /nfs/dbraw/zinc/79/20/18/833792018.db2.gz HYMFLYYFKROSEZ-UHFFFAOYSA-N -1 0 317.319 -0.377 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](O)C[C@@H]1CO ZINC001185929104 833817863 /nfs/dbraw/zinc/81/78/63/833817863.db2.gz XYRXSZBUXPGHGS-GHMZBOCLSA-N -1 0 315.347 -0.191 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2ccc(O)cc2F)C(=O)N1S(=O)(=O)[O-] ZINC001186337214 833845795 /nfs/dbraw/zinc/84/57/95/833845795.db2.gz GCUYQQBTVRNXDK-CDUCUWFYSA-N -1 0 318.282 -0.337 20 0 DBADRM CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2CO[N-]C2=O)CC(F)C1 ZINC001186910012 833884025 /nfs/dbraw/zinc/88/40/25/833884025.db2.gz QISZRTSTIQUPNT-LPATWVRLSA-N -1 0 317.317 -0.072 20 0 DBADRM COC[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001187305532 833916562 /nfs/dbraw/zinc/91/65/62/833916562.db2.gz XUNXLFXMOWDYSY-OUAUKWLOSA-N -1 0 309.370 -0.175 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1cnoc1C ZINC001187392327 833922119 /nfs/dbraw/zinc/92/21/19/833922119.db2.gz AAPKZZUWDRDGHG-ZETCQYMHSA-N -1 0 306.296 -0.332 20 0 DBADRM Cc1oncc1S(=O)(=O)NCC[N-]C(=O)C(F)(F)F ZINC001187392260 833922543 /nfs/dbraw/zinc/92/25/43/833922543.db2.gz XZXKFHGHXGUXMT-UHFFFAOYSA-N -1 0 301.246 -0.060 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1cc2c([nH]1)CN(CC1CC1)CC2 ZINC001277238454 833936716 /nfs/dbraw/zinc/93/67/16/833936716.db2.gz FEIJUMAMLMONJM-UHFFFAOYSA-N -1 0 301.354 -0.020 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(CC1CCC1)C2 ZINC001277296971 833940725 /nfs/dbraw/zinc/94/07/25/833940725.db2.gz IPSQDQPPMVOFOP-UHFFFAOYSA-N -1 0 302.342 -0.277 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](CO)[C@@H](C)O ZINC001187980070 833960108 /nfs/dbraw/zinc/96/01/08/833960108.db2.gz IDPOEZSHQXHCEP-BXKDBHETSA-N -1 0 316.379 -0.080 20 0 DBADRM Cn1cnc([N-]S(=O)(=O)c2ccc(N3CCOCC3)nc2)n1 ZINC001188485343 833988650 /nfs/dbraw/zinc/98/86/50/833988650.db2.gz LYFYJAUOZDMPRX-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cccc(F)n2)C(=O)N1S(=O)(=O)[O-] ZINC001188721269 834005073 /nfs/dbraw/zinc/00/50/73/834005073.db2.gz DYVRGTAUZAQQRM-XNCJUZBTSA-N -1 0 303.271 -0.647 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001188766052 834011326 /nfs/dbraw/zinc/01/13/26/834011326.db2.gz UVYURRDMWJSGOY-PSASIEDQSA-N -1 0 310.358 -0.932 20 0 DBADRM CC(=O)N(C)CC(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001188982484 834034933 /nfs/dbraw/zinc/03/49/33/834034933.db2.gz JQJRNZWXNGSIFP-JTQLQIEISA-N -1 0 310.358 -0.979 20 0 DBADRM COc1ncc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)s1 ZINC001189087866 834046282 /nfs/dbraw/zinc/04/62/82/834046282.db2.gz KLOREDNFDSCKPH-UHFFFAOYSA-N -1 0 306.325 -0.761 20 0 DBADRM CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc(Cl)nc1F ZINC001189154730 834054687 /nfs/dbraw/zinc/05/46/87/834054687.db2.gz KVOKDECPOHHSHD-RXMQYKEDSA-N -1 0 311.722 -0.741 20 0 DBADRM CCC(=O)NCC(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001189410827 834076256 /nfs/dbraw/zinc/07/62/56/834076256.db2.gz SNWZPVNBEYWNPZ-VIFPVBQESA-N -1 0 310.358 -0.931 20 0 DBADRM O=C(c1ccccc1S(=O)(=O)[O-])N1CC[C@H](CO)[C@H](O)C1 ZINC001189678383 834104738 /nfs/dbraw/zinc/10/47/38/834104738.db2.gz AGKGBAUQEJAECN-MWLCHTKSSA-N -1 0 315.347 -0.251 20 0 DBADRM O=C(N[C@@H]1CCC(=O)NC1=O)c1ccccc1S(=O)(=O)[O-] ZINC001189699205 834106318 /nfs/dbraw/zinc/10/63/18/834106318.db2.gz QPLVBLCMSYLBTA-MRVPVSSYSA-N -1 0 312.303 -0.532 20 0 DBADRM N=c1cc(C[NH3+])ncn1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899971 834125226 /nfs/dbraw/zinc/12/52/26/834125226.db2.gz LLXJAQJJLHWNSS-UHFFFAOYSA-N -1 0 324.233 -0.019 20 0 DBADRM COc1nc(S(=O)(=O)NCC(=O)CCC(=O)[O-])ccc1F ZINC001190125687 834140873 /nfs/dbraw/zinc/14/08/73/834140873.db2.gz MFSHGAHVYBJSPN-UHFFFAOYSA-N -1 0 320.298 -0.059 20 0 DBADRM C[C@@]1([N-]S(=O)(=O)c2ncc(F)cc2F)CCC(=O)NC1=O ZINC001190208757 834146746 /nfs/dbraw/zinc/14/67/46/834146746.db2.gz OAWASISQATXCRJ-LLVKDONJSA-N -1 0 319.289 -0.167 20 0 DBADRM COC(=O)C1([N-]S(=O)(=O)c2ncc(F)cc2F)COC1 ZINC001190196828 834146862 /nfs/dbraw/zinc/14/68/62/834146862.db2.gz NRMOCCNRGCTXEQ-UHFFFAOYSA-N -1 0 308.262 -0.420 20 0 DBADRM COC(=O)CC[C@@H]1COCCN1S(=O)(=O)c1ncc[n-]1 ZINC001190719017 834183929 /nfs/dbraw/zinc/18/39/29/834183929.db2.gz XSZLCABMMOLAEY-SECBINFHSA-N -1 0 303.340 -0.248 20 0 DBADRM COC(=O)[C@@H]1COCCC12CN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190714450 834184087 /nfs/dbraw/zinc/18/40/87/834184087.db2.gz KWHXQUBMFUJJLU-VIFPVBQESA-N -1 0 315.351 -0.390 20 0 DBADRM CCS(=O)(=O)N1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001190715341 834184109 /nfs/dbraw/zinc/18/41/09/834184109.db2.gz UYQKXVBCKJKSJM-UHFFFAOYSA-N -1 0 308.385 -0.934 20 0 DBADRM CC1=NC2(CCN(S(=O)(=O)c3ncc[n-]3)CC2)C(=O)N1C ZINC001190716677 834184387 /nfs/dbraw/zinc/18/43/87/834184387.db2.gz XDCUOEBXFSDEJH-UHFFFAOYSA-N -1 0 311.367 -0.177 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)c1ncc[n-]1)C1CCOCC1 ZINC001190744507 834187274 /nfs/dbraw/zinc/18/72/74/834187274.db2.gz FMMIVQCLCPAMPQ-SECBINFHSA-N -1 0 303.340 -0.344 20 0 DBADRM CN(C)C(=O)N1CCC(NS(=O)(=O)c2ncc[n-]2)CC1 ZINC001190755622 834187285 /nfs/dbraw/zinc/18/72/85/834187285.db2.gz VXKNZOSAOFDXJB-UHFFFAOYSA-N -1 0 301.372 -0.166 20 0 DBADRM O=C(c1ccccn1)N1CC[C@@H](NS(=O)(=O)c2ncc[n-]2)C1 ZINC001190755710 834187338 /nfs/dbraw/zinc/18/73/38/834187338.db2.gz CMAUISXBELJQCB-SNVBAGLBSA-N -1 0 321.362 -0.002 20 0 DBADRM O=S(=O)(NCC1CCN(C2COC2)CC1)c1ncc[n-]1 ZINC001190758589 834188678 /nfs/dbraw/zinc/18/86/78/834188678.db2.gz VZEYTFJNUNENCO-UHFFFAOYSA-N -1 0 300.384 -0.201 20 0 DBADRM O=c1nc(CNS(=O)(=O)c2cnnn2-c2ccccc2)[n-]o1 ZINC001191014983 834213269 /nfs/dbraw/zinc/21/32/69/834213269.db2.gz GGHVTQRYRGFZNW-UHFFFAOYSA-N -1 0 322.306 -0.578 20 0 DBADRM N=C(NC(=O)c1cnc(=O)[nH]c1)SCCS(=O)(=O)[O-] ZINC001191182419 834229506 /nfs/dbraw/zinc/22/95/06/834229506.db2.gz CKSMEYCVNOTBSM-UHFFFAOYSA-N -1 0 306.325 -0.532 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)COCC(F)F)C1 ZINC001191514999 834260052 /nfs/dbraw/zinc/26/00/52/834260052.db2.gz JHDWBUDTMPTNQX-MRVPVSSYSA-N -1 0 319.312 -0.175 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)NCS(=O)(=O)[O-])cc1 ZINC001191631913 834273088 /nfs/dbraw/zinc/27/30/88/834273088.db2.gz ONJPTKYPXIXJAL-UHFFFAOYSA-N -1 0 308.337 -0.830 20 0 DBADRM CC(C)[C@@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191705095 834279516 /nfs/dbraw/zinc/27/95/16/834279516.db2.gz CWUUZWJYVXGSIG-HBNTYKKESA-N -1 0 311.386 -0.146 20 0 DBADRM CC(C)(C)/C=C/C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191832777 834296289 /nfs/dbraw/zinc/29/62/89/834296289.db2.gz JLIVTZGHGVGREX-NUNSBDKSSA-N -1 0 309.370 -0.226 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cnn(C)c2Cl)C(=O)N1S(=O)(=O)[O-] ZINC001191949868 834308425 /nfs/dbraw/zinc/30/84/25/834308425.db2.gz OYIAMWURKRAWIF-NJGYIYPDSA-N -1 0 322.730 -0.795 20 0 DBADRM COC(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](O)[C@H](CO)C2)c1 ZINC001192386138 834367122 /nfs/dbraw/zinc/36/71/22/834367122.db2.gz DHYTWGMLHYZJOQ-CMPLNLGQSA-N -1 0 309.318 -0.006 20 0 DBADRM O=C(C=Cc1ccc[nH]1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001192484688 834387202 /nfs/dbraw/zinc/38/72/02/834387202.db2.gz QTTVZURJHVXPKQ-ANDSXOESSA-N -1 0 318.337 -0.787 20 0 DBADRM O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1c(F)ccc(F)c1[O-] ZINC001192718982 834413197 /nfs/dbraw/zinc/41/31/97/834413197.db2.gz HBCPZAVTGHNFCR-PYWKRXRXSA-N -1 0 303.261 -0.497 20 0 DBADRM O=C([O-])CCOCCOCCOCCn1cc(CO)nn1 ZINC001246062063 834415701 /nfs/dbraw/zinc/41/57/01/834415701.db2.gz HNCJQQWXHAUJRE-UHFFFAOYSA-N -1 0 303.315 -0.705 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1c([O-])ccc(F)c1F ZINC001192786783 834422576 /nfs/dbraw/zinc/42/25/76/834422576.db2.gz QIPXSUCSHOEJON-UHFFFAOYSA-N -1 0 302.233 -0.311 20 0 DBADRM O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(F)c(F)c1[O-] ZINC001192811782 834425902 /nfs/dbraw/zinc/42/59/02/834425902.db2.gz URPWXJVSYFOVKA-PYWKRXRXSA-N -1 0 303.261 -0.497 20 0 DBADRM CNC(=O)C1(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001192848871 834431196 /nfs/dbraw/zinc/43/11/96/834431196.db2.gz YAPZKJFNAAWKNN-VIFPVBQESA-N -1 0 322.369 -0.931 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001192896489 834440413 /nfs/dbraw/zinc/44/04/13/834440413.db2.gz LUPIBPRCFMIPKG-JTQLQIEISA-N -1 0 324.385 -0.542 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cc(Cl)nn2C)C(=O)N1S(=O)(=O)[O-] ZINC001192922116 834441344 /nfs/dbraw/zinc/44/13/44/834441344.db2.gz UWVFWXGSWAIERS-FFWSUHOLSA-N -1 0 322.730 -0.795 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1(C(F)F)CC1 ZINC001192968608 834448191 /nfs/dbraw/zinc/44/81/91/834448191.db2.gz COTDRYPHBKUSQU-RNFRBKRXSA-N -1 0 317.296 -0.783 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-][C@H](C(=O)OC)[C@@H](C)O ZINC001193065108 834459057 /nfs/dbraw/zinc/45/90/57/834459057.db2.gz KFFIQLPYOULNJF-SFYZADRCSA-N -1 0 311.356 -0.830 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C(C)(C)C(=O)OCC ZINC001193065387 834459226 /nfs/dbraw/zinc/45/92/26/834459226.db2.gz NJXIOASQBBERKT-QMMMGPOBSA-N -1 0 311.356 -0.829 20 0 DBADRM Cc1nn(C)c([N-]S(=O)(=O)C[C@H]2CCCO2)c1C(N)=O ZINC001193199025 834473683 /nfs/dbraw/zinc/47/36/83/834473683.db2.gz JOWMBYGRQGDRAQ-MRVPVSSYSA-N -1 0 302.356 -0.252 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H](CO)CC1CCOCC1 ZINC001251350056 834497919 /nfs/dbraw/zinc/49/79/19/834497919.db2.gz LZGBBZIOMQTQSN-NSHDSACASA-N -1 0 303.359 -0.612 20 0 DBADRM CNS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(=O)[nH][n-]2)c1 ZINC001193469601 834501743 /nfs/dbraw/zinc/50/17/43/834501743.db2.gz PLOSMHVREUKSEM-UHFFFAOYSA-N -1 0 312.307 -0.019 20 0 DBADRM COCCOc1cccc(NC(=O)C(=O)NCc2nnn[n-]2)c1 ZINC001251997025 834515504 /nfs/dbraw/zinc/51/55/04/834515504.db2.gz VRCHNBSNMYGJKT-UHFFFAOYSA-N -1 0 320.309 -0.520 20 0 DBADRM Cc1cc(F)ncc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001193633308 834519303 /nfs/dbraw/zinc/51/93/03/834519303.db2.gz MURGVOPADCTRSB-RCOVLWMOSA-N -1 0 317.298 -0.339 20 0 DBADRM Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3cccnc3)nc2n1 ZINC001252581411 834547095 /nfs/dbraw/zinc/54/70/95/834547095.db2.gz YGOXMDLCXQPDEC-UHFFFAOYSA-N -1 0 306.307 -0.078 20 0 DBADRM NC(=O)C1(C[N-]S(=O)(=O)CC(F)(F)F)CCOCC1 ZINC001253204441 834564748 /nfs/dbraw/zinc/56/47/48/834564748.db2.gz LQDVFELNNZPUPP-UHFFFAOYSA-N -1 0 304.290 -0.250 20 0 DBADRM CCOC(=O)CNC(=O)C[N-]S(=O)(=O)CC(F)(F)F ZINC001253217887 834566694 /nfs/dbraw/zinc/56/66/94/834566694.db2.gz FQQLKUIVSUGXLE-UHFFFAOYSA-N -1 0 306.262 -0.853 20 0 DBADRM C[C@H]1[C@H](NC[C@H](O)COC(C)(C)C)C(=O)N1S(=O)(=O)[O-] ZINC001253471872 834570242 /nfs/dbraw/zinc/57/02/42/834570242.db2.gz JNHUEDYHUNXMCN-CIUDSAMLSA-N -1 0 310.372 -0.846 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C(C)(C)C ZINC001194137455 834570209 /nfs/dbraw/zinc/57/02/09/834570209.db2.gz ULQAYAHUSMXDQJ-OPRDCNLKSA-N -1 0 311.386 -0.146 20 0 DBADRM CCNC(=O)CO[C@H]1CCCN(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC001194199698 834575865 /nfs/dbraw/zinc/57/58/65/834575865.db2.gz GHHCYXJAJBQWQA-JTQLQIEISA-N -1 0 310.354 -0.117 20 0 DBADRM CC(=O)NCc1nnc2n1CCN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001194194780 834576159 /nfs/dbraw/zinc/57/61/59/834576159.db2.gz CXADPPPSBCIQFM-UHFFFAOYSA-N -1 0 319.325 -0.991 20 0 DBADRM CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)[n-]3)C[C@H]21 ZINC001194196473 834576291 /nfs/dbraw/zinc/57/62/91/834576291.db2.gz VGYVRXJHEBETQX-JFGNBEQYSA-N -1 0 322.365 -0.261 20 0 DBADRM Cn1[n-]c(C(=O)N2CCN(C3CCOCC3)C(=O)C2)cc1=O ZINC001194201292 834576637 /nfs/dbraw/zinc/57/66/37/834576637.db2.gz YOVDQKCIVGSDCG-UHFFFAOYSA-N -1 0 308.338 -0.411 20 0 DBADRM COC(=O)c1ccccc1S(=O)(=O)NCS(=O)(=O)[O-] ZINC001254071973 834585879 /nfs/dbraw/zinc/58/58/79/834585879.db2.gz GMRMBSNSXAEXSM-UHFFFAOYSA-N -1 0 309.321 -0.403 20 0 DBADRM O=C([O-])COCCOCCn1cc(CN2CCOCC2)nn1 ZINC001254090519 834586708 /nfs/dbraw/zinc/58/67/08/834586708.db2.gz OUQMOIOGMKPGNF-UHFFFAOYSA-N -1 0 314.342 -0.772 20 0 DBADRM COCc1cn(CCOCCOCCOCCC(=O)[O-])nn1 ZINC001254089888 834586930 /nfs/dbraw/zinc/58/69/30/834586930.db2.gz WGAIYUBBDNIKDH-UHFFFAOYSA-N -1 0 317.342 -0.051 20 0 DBADRM COC(=O)C(C)(C)c1cn(CCOCCOCC(=O)[O-])nn1 ZINC001254090328 834586966 /nfs/dbraw/zinc/58/69/66/834586966.db2.gz JCXDEYHEKKTTIA-UHFFFAOYSA-N -1 0 315.326 -0.154 20 0 DBADRM COCCn1cccc(C(=O)N[C@H]2SC(=O)[N-]C2=O)c1=O ZINC001194500421 834606432 /nfs/dbraw/zinc/60/64/32/834606432.db2.gz TUJBQBUVQTXAPP-JTQLQIEISA-N -1 0 311.319 -0.466 20 0 DBADRM CN(Cc1nnc([C@H]2CCOC2)o1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001255578700 834613122 /nfs/dbraw/zinc/61/31/22/834613122.db2.gz IUFUKHFKZYIXNP-LURJTMIESA-N -1 0 305.231 -0.378 20 0 DBADRM CN(Cc1nnc([C@@H]2CCOC2)o1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001255578701 834613200 /nfs/dbraw/zinc/61/32/00/834613200.db2.gz IUFUKHFKZYIXNP-ZCFIWIBFSA-N -1 0 305.231 -0.378 20 0 DBADRM CNS(=O)(=O)c1ccc(CC(=O)NOCCOC)cc1 ZINC001256233412 834622754 /nfs/dbraw/zinc/62/27/54/834622754.db2.gz RZTVJJWDNIUFGO-UHFFFAOYSA-N -1 0 302.352 -0.169 20 0 DBADRM COc1ncccc1S(=O)(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001194728305 834625116 /nfs/dbraw/zinc/62/51/16/834625116.db2.gz GJPJPACTNZRVII-QMMMGPOBSA-N -1 0 303.321 -0.322 20 0 DBADRM C[C@@H]1NC(=O)N(CCN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC001194764881 834630668 /nfs/dbraw/zinc/63/06/68/834630668.db2.gz PJBZALSGRWCOFN-DTWKUNHWSA-N -1 0 308.342 -0.370 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H]2CO[N-]C2=O)cc1OC ZINC001257125726 834642873 /nfs/dbraw/zinc/64/28/73/834642873.db2.gz JSYGLXQTSYRPFW-MRVPVSSYSA-N -1 0 302.308 -0.588 20 0 DBADRM CC(=O)N(C)CC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001194934908 834644057 /nfs/dbraw/zinc/64/40/57/834644057.db2.gz CLBDDYLSDNKKLS-UHFFFAOYSA-N -1 0 310.358 -0.977 20 0 DBADRM C[C@@H](O)[C@@H](CO)NC(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC001194950085 834644857 /nfs/dbraw/zinc/64/48/57/834644857.db2.gz JNCIPTILWSZXSG-RDDDGLTNSA-N -1 0 320.342 -0.331 20 0 DBADRM CCO[C@@H](C)C(=O)N1CCCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC001194955214 834645142 /nfs/dbraw/zinc/64/51/42/834645142.db2.gz LHIMFIOHBNJXNL-NSHDSACASA-N -1 0 311.386 -0.432 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](NCS(=O)(=O)[O-])C[C@H]1C(=O)OC ZINC001257720998 834661896 /nfs/dbraw/zinc/66/18/96/834661896.db2.gz OOWKVMBNAHBCEP-DJLDLDEBSA-N -1 0 309.340 -0.448 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)CC1=O ZINC001257797059 834664646 /nfs/dbraw/zinc/66/46/46/834664646.db2.gz KALFUGOOUWYCBJ-MNOVXSKESA-N -1 0 313.354 -0.804 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H]1CCC(=O)N1 ZINC001258452694 834683921 /nfs/dbraw/zinc/68/39/21/834683921.db2.gz OMJUQJLXJJDKTG-SSDOTTSWSA-N -1 0 306.775 -0.061 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H]1CNC(=O)C1 ZINC001258458238 834683940 /nfs/dbraw/zinc/68/39/40/834683940.db2.gz QROGUKQVESERJC-SSDOTTSWSA-N -1 0 306.775 -0.204 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CCC(=O)NC1 ZINC001258452731 834684150 /nfs/dbraw/zinc/68/41/50/834684150.db2.gz RLLUMSHLAHSAHB-ZETCQYMHSA-N -1 0 306.775 -0.061 20 0 DBADRM COc1ccc(S(=O)(=O)NCS(=O)(=O)[O-])c(OC)c1 ZINC001258964301 834689186 /nfs/dbraw/zinc/68/91/86/834689186.db2.gz OMEQOGACYDFXKD-UHFFFAOYSA-N -1 0 311.337 -0.173 20 0 DBADRM COC(=O)CS(=O)(=O)NCC(=O)c1ccc(OC)cc1 ZINC001259016925 834692561 /nfs/dbraw/zinc/69/25/61/834692561.db2.gz CHNMRAOYDDEHIO-UHFFFAOYSA-N -1 0 301.320 -0.030 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1ccc2nn(CCO)cc2c1 ZINC001259025591 834695664 /nfs/dbraw/zinc/69/56/64/834695664.db2.gz YOYMDVFMVBWLGC-UHFFFAOYSA-N -1 0 313.335 -0.057 20 0 DBADRM COC(=O)CS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccncc1 ZINC001259031591 834697360 /nfs/dbraw/zinc/69/73/60/834697360.db2.gz QYPMEFDGRKJWPN-SNVBAGLBSA-N -1 0 302.308 -0.612 20 0 DBADRM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC(=O)OC)c1cccnc1 ZINC001259032489 834697754 /nfs/dbraw/zinc/69/77/54/834697754.db2.gz FTUKDMAICCCUOE-NSHDSACASA-N -1 0 316.335 -0.222 20 0 DBADRM O=C1CO[C@H](C[N-]S(=O)(=O)c2c(F)cccc2F)CN1 ZINC001259071518 834698946 /nfs/dbraw/zinc/69/89/46/834698946.db2.gz AJEXFOJLRKOULG-ZETCQYMHSA-N -1 0 306.290 -0.242 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC001195564032 834699841 /nfs/dbraw/zinc/69/98/41/834699841.db2.gz AQRGNHWCKOHDBV-UHFFFAOYSA-N -1 0 319.270 -0.784 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)C1CCC(C(=O)OC)CC1 ZINC001195565553 834699990 /nfs/dbraw/zinc/69/99/90/834699990.db2.gz KWVWFGGNULFQJJ-UHFFFAOYSA-N -1 0 308.356 -0.685 20 0 DBADRM NC(=O)c1nc(CNS(=O)(=O)c2ccc3c(c2)CCO3)no1 ZINC001259358572 834703273 /nfs/dbraw/zinc/70/32/73/834703273.db2.gz DUPWCFOFBODBFR-UHFFFAOYSA-N -1 0 324.318 -0.418 20 0 DBADRM NC(=O)CNC(=O)CNS(=O)(=O)c1cc(Cl)ccc1F ZINC001259462270 834704487 /nfs/dbraw/zinc/70/44/87/834704487.db2.gz MARLYRCWXDJVCC-UHFFFAOYSA-N -1 0 323.733 -0.641 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]c2cnc(C(N)=O)cn2)cn1 ZINC001195684115 834715614 /nfs/dbraw/zinc/71/56/14/834715614.db2.gz AMJASBIWDDZMRU-UHFFFAOYSA-N -1 0 309.307 -0.220 20 0 DBADRM CCc1c([N-]S(=O)(=O)c2ccn(C)n2)c(C(N)=O)nn1C ZINC001259939065 834715957 /nfs/dbraw/zinc/71/59/57/834715957.db2.gz LQSRGZKVTRYSNP-UHFFFAOYSA-N -1 0 312.355 -0.384 20 0 DBADRM Cn1ccc(S(=O)(=O)[N-]c2cc(N3CCOCC3)ncn2)n1 ZINC001259937896 834716096 /nfs/dbraw/zinc/71/60/96/834716096.db2.gz XJHIDYHPWLNFBU-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM Cn1ccc(S(=O)(=O)[N-]c2cncc(N3CCOCC3)n2)n1 ZINC001259937763 834716115 /nfs/dbraw/zinc/71/61/15/834716115.db2.gz PDHAPOUKTAALED-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM CCOC(=O)c1noc(C[N-]S(=O)(=O)c2ccn(C)n2)n1 ZINC001259947442 834716914 /nfs/dbraw/zinc/71/69/14/834716914.db2.gz NYLUTQKPSQDYGD-UHFFFAOYSA-N -1 0 315.311 -0.542 20 0 DBADRM CCOC(=O)c1nnc(C[N-]S(=O)(=O)c2ccn(C)n2)o1 ZINC001259946326 834717017 /nfs/dbraw/zinc/71/70/17/834717017.db2.gz KSZMAJXBTIJABW-UHFFFAOYSA-N -1 0 315.311 -0.542 20 0 DBADRM Cn1ccc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)F)n1 ZINC001259946688 834717429 /nfs/dbraw/zinc/71/74/29/834717429.db2.gz YHDJAPZQGSLPTN-UHFFFAOYSA-N -1 0 300.262 -0.623 20 0 DBADRM COCCS(=O)(=O)[N-]c1nccnc1N1CCOCC1 ZINC001259965906 834718467 /nfs/dbraw/zinc/71/84/67/834718467.db2.gz XFHQWXGRHLRCJU-UHFFFAOYSA-N -1 0 302.356 -0.299 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)cn1 ZINC001195739373 834721749 /nfs/dbraw/zinc/72/17/49/834721749.db2.gz XQDYCLULAOVLLX-QMMMGPOBSA-N -1 0 303.321 -0.322 20 0 DBADRM O=S(=O)([N-]CCOCCO)c1nc2nc(Cl)ccn2n1 ZINC001260166606 834729456 /nfs/dbraw/zinc/72/94/56/834729456.db2.gz GQEXRTLWQCGTKV-UHFFFAOYSA-N -1 0 321.746 -0.935 20 0 DBADRM O=S(=O)([N-]C[C@H]1C[C@H](O)C1)c1nc2nc(Cl)ccn2n1 ZINC001260178547 834729909 /nfs/dbraw/zinc/72/99/09/834729909.db2.gz GWYZWBXGACZCCI-LJGSYFOKSA-N -1 0 317.758 -0.173 20 0 DBADRM O=S(=O)([N-][C@H]1C[C@@H](CO)C1)c1nc2nc(Cl)ccn2n1 ZINC001260178587 834729998 /nfs/dbraw/zinc/72/99/98/834729998.db2.gz IRWNHLJDASQYBE-KNVOCYPGSA-N -1 0 317.758 -0.173 20 0 DBADRM O=S(=O)([N-][C@H]1C[C@H](CO)C1)c1nc2nc(Cl)ccn2n1 ZINC001260178588 834730017 /nfs/dbraw/zinc/73/00/17/834730017.db2.gz IRWNHLJDASQYBE-LJGSYFOKSA-N -1 0 317.758 -0.173 20 0 DBADRM COC(=O)[C@H](C)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260178261 834730245 /nfs/dbraw/zinc/73/02/45/834730245.db2.gz ACNRSTOPQBTOPY-YFKPBYRVSA-N -1 0 319.730 -0.383 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC2(CCO)COC2)ccc1O ZINC001260401284 834732277 /nfs/dbraw/zinc/73/22/77/834732277.db2.gz GWROJKQFABIWRI-UHFFFAOYSA-N -1 0 317.319 -0.480 20 0 DBADRM NC(=O)c1cnc([N-]S(=O)(=O)c2cccc3nonc32)cn1 ZINC001260436171 834733333 /nfs/dbraw/zinc/73/33/33/834733333.db2.gz QCMPGHJYFWNUCI-UHFFFAOYSA-N -1 0 320.290 -0.088 20 0 DBADRM CC(=O)N1CC(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1 ZINC001260402465 834733526 /nfs/dbraw/zinc/73/35/26/834733526.db2.gz JWJDELRTPXKKNG-UHFFFAOYSA-N -1 0 314.319 -0.401 20 0 DBADRM O=C1[N-]OC[C@H]1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC001260454390 834734899 /nfs/dbraw/zinc/73/48/99/834734899.db2.gz INGKXMWIBWWTNN-SECBINFHSA-N -1 0 310.287 -0.499 20 0 DBADRM Cc1csc([N-]S(=O)(=O)CS(C)(=O)=O)c1C(N)=O ZINC001260583592 834736605 /nfs/dbraw/zinc/73/66/05/834736605.db2.gz GINGVCDYEWPBKQ-UHFFFAOYSA-N -1 0 312.394 -0.101 20 0 DBADRM COC(=O)c1cc(C)cnc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260583916 834736626 /nfs/dbraw/zinc/73/66/26/834736626.db2.gz QLRCLAXCXKLHMK-UHFFFAOYSA-N -1 0 322.364 -0.080 20 0 DBADRM COC(=O)c1cncc([N-]S(=O)(=O)CS(C)(=O)=O)c1 ZINC001260584077 834736662 /nfs/dbraw/zinc/73/66/62/834736662.db2.gz SWGZFSBIYXNRFN-UHFFFAOYSA-N -1 0 308.337 -0.388 20 0 DBADRM Cn1cnc([N-]S(=O)(=O)CS(C)(=O)=O)c2ncnc1-2 ZINC001260582119 834736831 /nfs/dbraw/zinc/73/68/31/834736831.db2.gz MPWGOMYKLJFXMU-UHFFFAOYSA-N -1 0 305.341 -0.941 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cc(NC(C)=O)ncn1 ZINC001195938826 834737481 /nfs/dbraw/zinc/73/74/81/834737481.db2.gz DUAPSQJPDNPTBV-UHFFFAOYSA-N -1 0 302.312 -0.260 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1cc(Cl)ncc1CO ZINC001260584529 834737775 /nfs/dbraw/zinc/73/77/75/834737775.db2.gz KWKWZWSFCWWYLN-UHFFFAOYSA-N -1 0 314.772 -0.029 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cn(C)nc1C(=O)OC ZINC001195939381 834738218 /nfs/dbraw/zinc/73/82/18/834738218.db2.gz VIPSAMGMVQOHBQ-UHFFFAOYSA-N -1 0 305.312 -0.489 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1c(C(=O)OC)cnn1C ZINC001195942804 834738261 /nfs/dbraw/zinc/73/82/61/834738261.db2.gz UKLNZPFKAXDZIE-UHFFFAOYSA-N -1 0 305.312 -0.489 20 0 DBADRM CN1c2ccc(NS(=O)(=O)CS(C)(=O)=O)cc2CC1=O ZINC001260592702 834740562 /nfs/dbraw/zinc/74/05/62/834740562.db2.gz NFMHNVOQHONGDV-UHFFFAOYSA-N -1 0 318.376 -0.051 20 0 DBADRM COC(=O)c1cccc([N-]S(=O)(=O)CS(C)(=O)=O)c1O ZINC001260591773 834740701 /nfs/dbraw/zinc/74/07/01/834740701.db2.gz LEQOENIEEFZVLP-UHFFFAOYSA-N -1 0 323.348 -0.077 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1c(N=O)c(=O)[nH]c(=O)n1C ZINC001195984057 834743443 /nfs/dbraw/zinc/74/34/43/834743443.db2.gz LHVHLWZNQNLHPS-UHFFFAOYSA-N -1 0 320.283 -0.811 20 0 DBADRM Cn1cnc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)n1 ZINC001260609971 834743557 /nfs/dbraw/zinc/74/35/57/834743557.db2.gz CVIOGBXSZPQQMC-UHFFFAOYSA-N -1 0 322.306 -0.030 20 0 DBADRM Cn1nncc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC001260612198 834743982 /nfs/dbraw/zinc/74/39/82/834743982.db2.gz OHUJUBITBRDIBP-UHFFFAOYSA-N -1 0 322.306 -0.030 20 0 DBADRM Cn1nnnc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001260666958 834744580 /nfs/dbraw/zinc/74/45/80/834744580.db2.gz QXCZGQYQVJQFNR-UHFFFAOYSA-N -1 0 310.295 -0.658 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NCC2(O)COC2)s1 ZINC001260708175 834745621 /nfs/dbraw/zinc/74/56/21/834745621.db2.gz MTXNCOACJKSWAF-UHFFFAOYSA-N -1 0 307.353 -0.859 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NCC(C)(C)C(N)=O)s1 ZINC001260709016 834745883 /nfs/dbraw/zinc/74/58/83/834745883.db2.gz QBJRHMCIWWJYEU-UHFFFAOYSA-N -1 0 320.396 -0.109 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cccn(CCOC)c1=O ZINC001196000506 834746704 /nfs/dbraw/zinc/74/67/04/834746704.db2.gz MNRQTFXWUJTCGO-UHFFFAOYSA-N -1 0 318.351 -0.201 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001261121094 834755782 /nfs/dbraw/zinc/75/57/82/834755782.db2.gz YVNHQVSPOAIFBX-LLVKDONJSA-N -1 0 321.333 -0.398 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)[N-]OCCC(F)(F)F)OC ZINC001261180764 834765186 /nfs/dbraw/zinc/76/51/86/834765186.db2.gz KGTCPGGEQHDLTK-SSDOTTSWSA-N -1 0 302.249 -0.236 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1ccc(N2CCOCC2=O)cc1 ZINC001196242233 834771496 /nfs/dbraw/zinc/77/14/96/834771496.db2.gz TXHFJDLWZUFGTO-UHFFFAOYSA-N -1 0 302.294 -0.753 20 0 DBADRM Cn1ncc(I)c1C(=O)Nc1nnn[n-]1 ZINC001261240695 834772332 /nfs/dbraw/zinc/77/23/32/834772332.db2.gz HOOCIVXFEURAGV-UHFFFAOYSA-N -1 0 319.066 -0.210 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(N2CCOCC2=O)cc1 ZINC001196279194 834776089 /nfs/dbraw/zinc/77/60/89/834776089.db2.gz ORQZFORDYLVANR-UHFFFAOYSA-N -1 0 317.305 -0.197 20 0 DBADRM O=C([O-])CCCNC(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001261458772 834787981 /nfs/dbraw/zinc/78/79/81/834787981.db2.gz LGUYAKNHWDNMBE-LLVKDONJSA-N -1 0 311.342 -0.018 20 0 DBADRM N[C@@H]1NCN(C(=O)c2cc(Cl)c(F)cc2[O-])[C@H]2NCN[C@@H]21 ZINC001196477742 834788146 /nfs/dbraw/zinc/78/81/46/834788146.db2.gz GBUINVSPAGUMDJ-GMTAPVOTSA-N -1 0 315.736 -0.683 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC001261510581 834795824 /nfs/dbraw/zinc/79/58/24/834795824.db2.gz DDHMMNHEQWQUQG-VIFPVBQESA-N -1 0 301.347 -0.856 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)nc1 ZINC001196720869 834799150 /nfs/dbraw/zinc/79/91/50/834799150.db2.gz XJPGGEZDMZUGSI-SECBINFHSA-N -1 0 315.332 -0.476 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1nnn(-c2cnn(C)c2)c1C ZINC001261525452 834800192 /nfs/dbraw/zinc/80/01/92/834800192.db2.gz DFAMPNQYWAAZDC-UHFFFAOYSA-N -1 0 307.314 -0.893 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCS[C@@H](C)CC1 ZINC001261543457 834804864 /nfs/dbraw/zinc/80/48/64/834804864.db2.gz OQPLBLQRERBLNG-VIFPVBQESA-N -1 0 303.384 -0.476 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCC(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC001261555205 834808646 /nfs/dbraw/zinc/80/86/46/834808646.db2.gz YURYGRQZDNANHB-MXWKQRLJSA-N -1 0 315.370 -0.809 20 0 DBADRM COC(=O)CCCCS(=O)(=O)[N-]c1oncc1C(N)=O ZINC001196924589 834818644 /nfs/dbraw/zinc/81/86/44/834818644.db2.gz JEUVKFCPKQKTHV-UHFFFAOYSA-N -1 0 305.312 -0.142 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CO1 ZINC001261630412 834820520 /nfs/dbraw/zinc/82/05/20/834820520.db2.gz MDIOZVASJXGGKW-BDAKNGLRSA-N -1 0 324.337 -0.065 20 0 DBADRM CN(C)C(=O)CC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001197369712 834860301 /nfs/dbraw/zinc/86/03/01/834860301.db2.gz KHMZVVQVSMPFAA-UHFFFAOYSA-N -1 0 310.358 -0.977 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CCO1 ZINC001261874917 834869813 /nfs/dbraw/zinc/86/98/13/834869813.db2.gz OZTKSYDNAUBXGK-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM CC(C)CN1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001262056557 834898840 /nfs/dbraw/zinc/89/88/40/834898840.db2.gz TWIVTGHHRDLYTF-TXEJJXNPSA-N -1 0 311.382 -0.234 20 0 DBADRM CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCN1C ZINC001262056854 834899118 /nfs/dbraw/zinc/89/91/18/834899118.db2.gz BMPCJOHEJZEXEG-IJLUTSLNSA-N -1 0 311.382 -0.236 20 0 DBADRM CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001262056086 834899353 /nfs/dbraw/zinc/89/93/53/834899353.db2.gz DFEZHHJVTQRTOD-GRYCIOLGSA-N -1 0 311.382 -0.236 20 0 DBADRM O=C(NCCCc1c[nH][nH]c1=O)c1cnn(-c2ncccn2)c1 ZINC001197836561 834908452 /nfs/dbraw/zinc/90/84/52/834908452.db2.gz LEGZBHMUWDMVNP-JTQLQIEISA-N -1 0 313.321 -0.096 20 0 DBADRM C/C(=C\C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1)CN1CCOCC1 ZINC001262178071 834914226 /nfs/dbraw/zinc/91/42/26/834914226.db2.gz PLKMUWHNJJIGFN-PGJRDNSLSA-N -1 0 312.366 -0.035 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC[C@H]1CCCC1(F)F ZINC001262300404 834930144 /nfs/dbraw/zinc/93/01/44/834930144.db2.gz KPABRQVZYZXTPD-MRVPVSSYSA-N -1 0 307.297 -0.278 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)CCSC1 ZINC001262307209 834931347 /nfs/dbraw/zinc/93/13/47/834931347.db2.gz GCURNIITNHVRIL-MFKMUULPSA-N -1 0 318.395 -0.291 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)CCSC1 ZINC001262307208 834931432 /nfs/dbraw/zinc/93/14/32/834931432.db2.gz GCURNIITNHVRIL-GXFFZTMASA-N -1 0 318.395 -0.291 20 0 DBADRM CNC(=O)c1nccnc1[N-]S(=O)(=O)c1cnc(C)n1C ZINC001198360692 834941143 /nfs/dbraw/zinc/94/11/43/834941143.db2.gz BEKPDWQKZIITFA-UHFFFAOYSA-N -1 0 310.339 -0.321 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@@H](OCC(C)C)C1 ZINC001262463555 834942710 /nfs/dbraw/zinc/94/27/10/834942710.db2.gz PHHKTVIWWVWFAD-LLVKDONJSA-N -1 0 312.374 -0.008 20 0 DBADRM COCCOCCN1CCN(c2ncncc2C(=O)[O-])CC1 ZINC001262506240 834946970 /nfs/dbraw/zinc/94/69/70/834946970.db2.gz DOMMBLQVCFHEBD-UHFFFAOYSA-N -1 0 310.354 -0.040 20 0 DBADRM Cn1c2ccccc2nc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)c1=O ZINC001198664756 834958095 /nfs/dbraw/zinc/95/80/95/834958095.db2.gz LUOXJZLTDJITSB-LLVKDONJSA-N -1 0 318.314 -0.028 20 0 DBADRM COCCn1c(=O)cccc1C(=O)NC1C(=O)N=CN=C1[O-] ZINC001198689668 834962035 /nfs/dbraw/zinc/96/20/35/834962035.db2.gz MXVVVHZSXQOGGX-UHFFFAOYSA-N -1 0 306.278 -0.052 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001198749164 834966043 /nfs/dbraw/zinc/96/60/43/834966043.db2.gz GXWCLMHMAHZGIH-MWLCHTKSSA-N -1 0 315.347 -0.251 20 0 DBADRM CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2C(=O)[O-])C1 ZINC001198762509 834966640 /nfs/dbraw/zinc/96/66/40/834966640.db2.gz HADGAZSOVDUINY-UHFFFAOYSA-N -1 0 319.360 -0.198 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1cccc(=O)n1CC(F)(F)F ZINC001198736712 834966728 /nfs/dbraw/zinc/96/67/28/834966728.db2.gz PYVBAURGBCSWFK-UHFFFAOYSA-N -1 0 314.241 -0.014 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001198749160 834966768 /nfs/dbraw/zinc/96/67/68/834966768.db2.gz GXWCLMHMAHZGIH-GXSJLCMTSA-N -1 0 315.347 -0.251 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cccc(=O)n1CC(F)(F)F ZINC001198736853 834966885 /nfs/dbraw/zinc/96/68/85/834966885.db2.gz RTQSLDORIVAULW-UHFFFAOYSA-N -1 0 302.216 -0.146 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)NC1CC(CO)(CO)C1 ZINC001198797431 834969074 /nfs/dbraw/zinc/96/90/74/834969074.db2.gz IYRSEAXKVOHLIX-UHFFFAOYSA-N -1 0 315.347 -0.204 20 0 DBADRM CC[C@@H](NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[C@H]1CCCO1 ZINC001263063569 834970969 /nfs/dbraw/zinc/97/09/69/834970969.db2.gz YOLUZAVZVJRQPM-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM COCCn1cc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)ccc1=O ZINC001198837939 834971553 /nfs/dbraw/zinc/97/15/53/834971553.db2.gz QWXBVNIZVKOBPS-LLVKDONJSA-N -1 0 311.319 -0.466 20 0 DBADRM COCNC(=S)Nc1ccc(S(=O)(=O)[N-]C(N)=O)cc1 ZINC001198845554 834972948 /nfs/dbraw/zinc/97/29/48/834972948.db2.gz PIBBCKPJXPPPJH-UHFFFAOYSA-N -1 0 318.380 -0.066 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1cnc(OCC2CCOCC2)nc1 ZINC001198936213 834977682 /nfs/dbraw/zinc/97/76/82/834977682.db2.gz HBDCUENSFMQOEW-LLVKDONJSA-N -1 0 322.321 -0.558 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2cnn3c2NC[C@@H](C)C3)C(=O)N1C ZINC001263866169 834992898 /nfs/dbraw/zinc/99/28/98/834992898.db2.gz FUIPHZFIKQXSRO-HTQZYQBOSA-N -1 0 306.326 -0.128 20 0 DBADRM CC(C)n1ccnc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001199415812 835020523 /nfs/dbraw/zinc/02/05/23/835020523.db2.gz TXCYCUCLKWAMSJ-YUMQZZPRSA-N -1 0 316.339 -0.404 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1ccc(=O)n(CC(F)(F)F)c1 ZINC001199500603 835028977 /nfs/dbraw/zinc/02/89/77/835028977.db2.gz GJVYYAVKAIGGCE-UHFFFAOYSA-N -1 0 314.241 -0.014 20 0 DBADRM CN(CCCNC(=O)C[C@H]1CCC(=O)NC1)Cc1n[nH]c(=O)[n-]1 ZINC001264994670 835065339 /nfs/dbraw/zinc/06/53/39/835065339.db2.gz FPOCHQKMDJBPCN-SNVBAGLBSA-N -1 0 324.385 -0.635 20 0 DBADRM COC(=O)CCNC(=S)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001200001229 835082970 /nfs/dbraw/zinc/08/29/70/835082970.db2.gz UUVDEADDWJOHGA-ZETCQYMHSA-N -1 0 306.340 -0.580 20 0 DBADRM CN(CCCNC(=O)c1cnn2cc[nH]c12)Cc1n[nH]c(=O)[n-]1 ZINC001265061974 835083983 /nfs/dbraw/zinc/08/39/83/835083983.db2.gz HPHZFOKBLUHKAT-UHFFFAOYSA-N -1 0 318.341 -0.262 20 0 DBADRM CN(CCCNC(=O)C[C@H]1COC(=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001265826807 835178998 /nfs/dbraw/zinc/17/89/98/835178998.db2.gz NPEKZMIFVMBYAG-SECBINFHSA-N -1 0 311.342 -0.598 20 0 DBADRM COC(=O)c1cncc(S(=O)(=O)NCC[P@@](=O)([O-])O)c1 ZINC001201862645 835215310 /nfs/dbraw/zinc/21/53/10/835215310.db2.gz HTCOVZCPSVNFDO-UHFFFAOYSA-N -1 0 324.251 -0.676 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]c1cnc(C(N)=O)cn1 ZINC001201905289 835217007 /nfs/dbraw/zinc/21/70/07/835217007.db2.gz OABTXAFYDGQDEV-UHFFFAOYSA-N -1 0 302.312 -0.730 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]c1c(C(N)=O)cnn1C ZINC001201904286 835217178 /nfs/dbraw/zinc/21/71/78/835217178.db2.gz ZOMVLGZJLSUTPN-UHFFFAOYSA-N -1 0 304.328 -0.786 20 0 DBADRM COC(=O)CCCS(=O)(=O)Nc1cc(=O)[n-]c(OC)n1 ZINC001201904284 835217884 /nfs/dbraw/zinc/21/78/84/835217884.db2.gz ZOIVDSVWQVGIGT-UHFFFAOYSA-N -1 0 305.312 -0.114 20 0 DBADRM O=C(NCC1CC1)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001266242554 835253771 /nfs/dbraw/zinc/25/37/71/835253771.db2.gz DRLDRWJOUYNPBL-JTQLQIEISA-N -1 0 322.369 -0.883 20 0 DBADRM COCCOCC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001266453294 835310355 /nfs/dbraw/zinc/31/03/55/835310355.db2.gz BUGQIOMVGJTCFS-SNVBAGLBSA-N -1 0 313.358 -0.746 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)OCCS(=O)(=O)c1ccccc1 ZINC001206074283 835376071 /nfs/dbraw/zinc/37/60/71/835376071.db2.gz LDHNDBGFNLAHNL-JTQLQIEISA-N -1 0 302.304 -0.161 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCn1cccn1 ZINC001206102493 835379385 /nfs/dbraw/zinc/37/93/85/835379385.db2.gz JFYTYNGDCKMQLQ-GHMZBOCLSA-N -1 0 319.369 -0.266 20 0 DBADRM O=C([O-])C[C@@H](C(=O)OCC[NH+]1CCCCC1)[C@H](O)C(=O)[O-] ZINC001206718830 835412060 /nfs/dbraw/zinc/41/20/60/835412060.db2.gz YECUFTUWKKMJII-KOLCDFICSA-N -1 0 303.311 -0.448 20 0 DBADRM CNC(=O)CCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001206897152 835427218 /nfs/dbraw/zinc/42/72/18/835427218.db2.gz LAIGHFVSGFVAPJ-NXEZZACHSA-N -1 0 324.385 -0.637 20 0 DBADRM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001268707649 835784303 /nfs/dbraw/zinc/78/43/03/835784303.db2.gz VPDBDVUAKQLHMU-ZJUUUORDSA-N -1 0 324.385 -0.637 20 0 DBADRM C=CC(=O)N1CCc2nc(C(=O)N=c3nn[n-]n3C)ccc2C1 ZINC001268859594 835827553 /nfs/dbraw/zinc/82/75/53/835827553.db2.gz PKWMGMKSTPUVOC-UHFFFAOYSA-N -1 0 313.321 -0.650 20 0 DBADRM Cn1nc(C2CC2)nc1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001601008518 970905993 /nfs/dbraw/zinc/90/59/93/970905993.db2.gz WFUCNYRFGBVUPW-VIFPVBQESA-N -1 0 314.367 -0.624 20 0 DBADRM Cc1csc(C(=O)[O-])c1S(=O)(=O)N[C@@H]1COC[C@H]1O ZINC000323024956 970959267 /nfs/dbraw/zinc/95/92/67/970959267.db2.gz AOHWYKZKQJDQAS-RNFRBKRXSA-N -1 0 307.349 -0.207 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c(F)c1 ZINC000323035572 970960619 /nfs/dbraw/zinc/96/06/19/970960619.db2.gz FESNMFIQBNBCBF-RKDXNWHRSA-N -1 0 305.283 -0.438 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@@H]1COC[C@@H]1O ZINC000323048052 970962053 /nfs/dbraw/zinc/96/20/53/970962053.db2.gz HSVVWJPXXBUGQV-ZJUUUORDSA-N -1 0 301.320 -0.269 20 0 DBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@@H]1COC[C@H]1O ZINC000323077915 970964997 /nfs/dbraw/zinc/96/49/97/970964997.db2.gz PGKINNNNWICNAS-NXEZZACHSA-N -1 0 301.320 -0.269 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@H]2COC[C@H]2O)ccc1C(=O)[O-] ZINC000323104637 970967890 /nfs/dbraw/zinc/96/78/90/970967890.db2.gz WFBQKFNPGWRAGF-GHMZBOCLSA-N -1 0 301.320 -0.269 20 0 DBADRM CC(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573450536 945825861 /nfs/dbraw/zinc/82/58/61/945825861.db2.gz JNCDTLPMFNDPJC-MWLCHTKSSA-N -1 0 316.369 -0.005 20 0 DBADRM CC(=O)N1CCO[C@H]([C@H](C)Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573451754 945841364 /nfs/dbraw/zinc/84/13/64/945841364.db2.gz ZOPQCJJGDMLHLG-WPRPVWTQSA-N -1 0 318.341 -0.874 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001573496704 946325878 /nfs/dbraw/zinc/32/58/78/946325878.db2.gz APDNIAANPBFKOL-SNVBAGLBSA-N -1 0 316.321 -0.077 20 0 DBADRM C[C@H](C(=O)N1CC[C@H](CCCO)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573615790 947612191 /nfs/dbraw/zinc/61/21/91/947612191.db2.gz KNLDFCQBIDJMMI-ZJUUUORDSA-N -1 0 320.357 -0.360 20 0 DBADRM C[C@H](C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573647589 947900398 /nfs/dbraw/zinc/90/03/98/947900398.db2.gz PQUFCXAPNBMNOX-IWSPIJDZSA-N -1 0 318.341 -0.297 20 0 DBADRM C[C@H](C(=O)N1C[C@@H]2[C@H](O)CC[C@@H]2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573651710 947923273 /nfs/dbraw/zinc/92/32/73/947923273.db2.gz POXICKDGDKADCF-DOLQZWNJSA-N -1 0 318.341 -0.752 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CC12CCOCC2)n1cnc(-c2nnn[n-]2)n1 ZINC001573667463 948100484 /nfs/dbraw/zinc/10/04/84/948100484.db2.gz ZTYYYYBBCRXLTL-IUCAKERBSA-N -1 0 318.341 -0.296 20 0 DBADRM CC(=O)N1CC[C@@H](C)[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573435538 948233010 /nfs/dbraw/zinc/23/30/10/948233010.db2.gz YIOCQLJCISOKFG-MWLCHTKSSA-N -1 0 316.369 -0.005 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000328435672 971473546 /nfs/dbraw/zinc/47/35/46/971473546.db2.gz VMILETCAFNVADI-IJLUTSLNSA-N -1 0 310.350 -0.319 20 0 DBADRM C[C@@H](C(=O)NCCc1cn(C)cn1)n1cnc(-c2nnn[n-]2)n1 ZINC001573718796 948520837 /nfs/dbraw/zinc/52/08/37/948520837.db2.gz TYZBKPAIPRATQD-QMMMGPOBSA-N -1 0 316.329 -0.888 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@@H]1CC12CC(O)C2 ZINC001570918083 948568749 /nfs/dbraw/zinc/56/87/49/948568749.db2.gz KRXWJTCRKOODIF-RCIBXWMZSA-N -1 0 316.321 -0.081 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2n[nH]cc2C)c1 ZINC001570918769 948578939 /nfs/dbraw/zinc/57/89/39/948578939.db2.gz KEWDUSHXTYUZOY-UHFFFAOYSA-N -1 0 315.293 -0.105 20 0 DBADRM Cc1nccc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)n1 ZINC001570919217 948585598 /nfs/dbraw/zinc/58/55/98/948585598.db2.gz PKBKJDQHAWGTSF-UHFFFAOYSA-N -1 0 315.297 -0.623 20 0 DBADRM Cn1c(=O)[nH]c(NCCc2cccnc2)c(-c2nnn[n-]2)c1=O ZINC001570920128 948597169 /nfs/dbraw/zinc/59/71/69/948597169.db2.gz HFWSNKYVWOSMTP-UHFFFAOYSA-N -1 0 314.309 -0.284 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001570920214 948597194 /nfs/dbraw/zinc/59/71/94/948597194.db2.gz IPHDXDIBFCAAAL-UHFFFAOYSA-N -1 0 313.343 -0.401 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC[C@H](C(N)=O)C1 ZINC001570920832 948608429 /nfs/dbraw/zinc/60/84/29/948608429.db2.gz DNWDTCZWICIGSV-ZETCQYMHSA-N -1 0 317.309 -0.777 20 0 DBADRM CC(C)C(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001570921247 948616494 /nfs/dbraw/zinc/61/64/94/948616494.db2.gz SFCZEZGYNOGRBX-ZJUUUORDSA-N -1 0 316.369 -0.007 20 0 DBADRM CO[C@@H]([C@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001570922806 948647576 /nfs/dbraw/zinc/64/75/76/948647576.db2.gz MTAPGCTZXFINFE-XKSSXDPKSA-N -1 0 320.357 -0.051 20 0 DBADRM C[C@H](C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)n1cnc(-c2nnn[n-]2)n1 ZINC001573741227 948652522 /nfs/dbraw/zinc/65/25/22/948652522.db2.gz ZVKPMAXGQOJPPI-RERUZZKTSA-N -1 0 316.325 -0.689 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1cnc(Cl)cn1 ZINC001570923033 948652661 /nfs/dbraw/zinc/65/26/61/948652661.db2.gz RUWKBSFNACVVAF-UHFFFAOYSA-N -1 0 320.704 -0.782 20 0 DBADRM COC[C@]1(C)CCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001570923070 948654563 /nfs/dbraw/zinc/65/45/63/948654563.db2.gz SYHVKQNBSHXXGR-TVQRCGJNSA-N -1 0 320.357 -0.096 20 0 DBADRM CC[C@@H](C[C@@H](C)CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001570923424 948662056 /nfs/dbraw/zinc/66/20/56/948662056.db2.gz XXHBPRQBCPFENR-SFYZADRCSA-N -1 0 323.357 -0.125 20 0 DBADRM CC[C@@H](C[C@H](C)CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001570923425 948662258 /nfs/dbraw/zinc/66/22/58/948662258.db2.gz XXHBPRQBCPFENR-YUMQZZPRSA-N -1 0 323.357 -0.125 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001589555277 948786044 /nfs/dbraw/zinc/78/60/44/948786044.db2.gz OPXBWANBDZZOMD-DTWKUNHWSA-N -1 0 309.388 -0.324 20 0 DBADRM CC[C@H](CNC(=O)N[C@@H](CC)CNS(C)(=O)=O)C(=O)[O-] ZINC001589555505 948789241 /nfs/dbraw/zinc/78/92/41/948789241.db2.gz UYEDXRZXEOJVSN-BDAKNGLRSA-N -1 0 309.388 -0.276 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)N(C)CC(N)=O)cc1-c1nnn[n-]1 ZINC001570930228 948808598 /nfs/dbraw/zinc/80/85/98/948808598.db2.gz GSUYPKPIQXSGLQ-UHFFFAOYSA-N -1 0 323.338 -0.754 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)C(=O)NC ZINC001589562177 948827644 /nfs/dbraw/zinc/82/76/44/948827644.db2.gz RMDMHSXDEAXTEB-NSHDSACASA-N -1 0 321.333 -0.107 20 0 DBADRM NS(=O)(=O)Nc1cccc(NC(=O)COCC(=O)[O-])c1 ZINC000041073171 948861032 /nfs/dbraw/zinc/86/10/32/948861032.db2.gz JVPYUXRFAUUBAQ-UHFFFAOYSA-N -1 0 303.296 -0.658 20 0 DBADRM CC(C)[C@H](O)CCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001574082735 948862621 /nfs/dbraw/zinc/86/26/21/948862621.db2.gz IIGFBBULOCATQA-MRVPVSSYSA-N -1 0 323.357 -0.917 20 0 DBADRM CC[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@H](O)C(F)F ZINC001589571053 948911469 /nfs/dbraw/zinc/91/14/69/948911469.db2.gz URZODPWUBOOLQK-FXQIFTODSA-N -1 0 316.326 -0.226 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)CC1 ZINC000052007953 948926654 /nfs/dbraw/zinc/92/66/54/948926654.db2.gz DIAHFJFGYZKAOQ-QWRGUYRKSA-N -1 0 306.384 -0.079 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000062935259 948967196 /nfs/dbraw/zinc/96/71/96/948967196.db2.gz JGEJBCBJCZENPK-SKDRFNHKSA-N -1 0 304.368 -0.073 20 0 DBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC(C(=O)[O-])C1 ZINC000071173089 948991621 /nfs/dbraw/zinc/99/16/21/948991621.db2.gz GXOZUKBHQKVDCQ-SECBINFHSA-N -1 0 324.424 -0.410 20 0 DBADRM CC[C@@H](OC(=O)CN1CCC[C@H](C(=O)OC)C1=O)C(=O)[O-] ZINC001589579030 948996522 /nfs/dbraw/zinc/99/65/22/948996522.db2.gz VCIFDPAATXFYNS-DTWKUNHWSA-N -1 0 301.295 -0.196 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCC(=O)N(C)C)C1 ZINC001589583857 949021445 /nfs/dbraw/zinc/02/14/45/949021445.db2.gz FYGDZVLWHUSLKY-AWEZNQCLSA-N -1 0 313.354 -0.706 20 0 DBADRM CC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC000090276896 949123276 /nfs/dbraw/zinc/12/32/76/949123276.db2.gz VTRUKHVCWOFOTA-LBPRGKRZSA-N -1 0 316.335 -0.241 20 0 DBADRM COC(=O)c1ccccc1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000090277062 949123681 /nfs/dbraw/zinc/12/36/81/949123681.db2.gz LEMDSFPUHPYWDN-GFCCVEGCSA-N -1 0 317.319 -0.413 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-] ZINC000090276993 949123853 /nfs/dbraw/zinc/12/38/53/949123853.db2.gz WCZUZJZGHZHAGV-GFCCVEGCSA-N -1 0 301.320 -0.265 20 0 DBADRM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1ccn(C)n1 ZINC001575251048 949127567 /nfs/dbraw/zinc/12/75/67/949127567.db2.gz KMMMDUCQNBENMA-YUMQZZPRSA-N -1 0 316.329 -0.370 20 0 DBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000095017699 949192455 /nfs/dbraw/zinc/19/24/55/949192455.db2.gz MDJAPVZGDJVYNS-SNVBAGLBSA-N -1 0 320.367 -0.477 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)c1csnn1)n1cnc(-c2nnn[n-]2)n1 ZINC001575254733 949213658 /nfs/dbraw/zinc/21/36/58/949213658.db2.gz XEHADPJMFOLMQZ-NTSWFWBYSA-N -1 0 320.342 -0.252 20 0 DBADRM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1nncn1C ZINC001575255195 949229130 /nfs/dbraw/zinc/22/91/30/949229130.db2.gz YLJXABJHHVLEDL-BQBZGAKWSA-N -1 0 317.317 -0.975 20 0 DBADRM CC1=NO[C@@](C)(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001575863306 949348201 /nfs/dbraw/zinc/34/82/01/949348201.db2.gz BJPYIMWBVCATHV-LLVKDONJSA-N -1 0 305.302 -0.871 20 0 DBADRM CC[C@@]1(CO)CCCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001589615051 949355524 /nfs/dbraw/zinc/35/55/24/949355524.db2.gz GHWBCGXKOOLYJQ-UEKVPHQBSA-N -1 0 312.366 -0.023 20 0 DBADRM CCC1(CO)CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC001589615782 949369737 /nfs/dbraw/zinc/36/97/37/949369737.db2.gz VWCDOOYVVBRAMJ-NSHDSACASA-N -1 0 312.366 -0.069 20 0 DBADRM C[C@H]1[C@H](CO)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001575865520 949375568 /nfs/dbraw/zinc/37/55/68/949375568.db2.gz APXUJLDQTTZKAI-YUMQZZPRSA-N -1 0 313.339 -0.149 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)c1 ZINC001595238870 949435331 /nfs/dbraw/zinc/43/53/31/949435331.db2.gz IWKFQYVGFKWLQV-LLVKDONJSA-N -1 0 304.302 -0.292 20 0 DBADRM CC[C@@H]1CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C[C@@H]1O ZINC001589625227 949470708 /nfs/dbraw/zinc/47/07/08/949470708.db2.gz YGWSEDSXEAHKRZ-ZJUUUORDSA-N -1 0 319.379 -0.505 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CNCC(F)(F)F)C(=O)[O-] ZINC000168872387 949475445 /nfs/dbraw/zinc/47/54/45/949475445.db2.gz BIKKBKXHKKAIBL-LURJTMIESA-N -1 0 300.233 -0.339 20 0 DBADRM CC[C@@H]1CN([C@H]2CCN(CC(=O)[O-])C2=O)C[C@]2(CCOC2)O1 ZINC001589626991 949497770 /nfs/dbraw/zinc/49/77/70/949497770.db2.gz USALDXXZUBMIKA-XUJVJEKNSA-N -1 0 312.366 -0.058 20 0 DBADRM O=C([O-])c1ccccc1CC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001595255004 949585119 /nfs/dbraw/zinc/58/51/19/949585119.db2.gz MWLGRPGWJBVFPH-NSHDSACASA-N -1 0 317.301 -0.310 20 0 DBADRM CCC[C@@]1(CO)CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001589635672 949621385 /nfs/dbraw/zinc/62/13/85/949621385.db2.gz YKBGLVJSHKGRAG-IAQYHMDHSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N(CCO)C2CCC2)CC1 ZINC000228346985 949625695 /nfs/dbraw/zinc/62/56/95/949625695.db2.gz YIQWADCTNUPXEY-UHFFFAOYSA-N -1 0 306.384 -0.125 20 0 DBADRM CCC[C@H]1C(=O)NCCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589638043 949638771 /nfs/dbraw/zinc/63/87/71/949638771.db2.gz WHKKGEAUIUXZDQ-NSHDSACASA-N -1 0 321.333 -0.326 20 0 DBADRM CCC[C@@H]1C(=O)NCCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589638042 949639584 /nfs/dbraw/zinc/63/95/84/949639584.db2.gz WHKKGEAUIUXZDQ-LLVKDONJSA-N -1 0 321.333 -0.326 20 0 DBADRM C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1nc[nH]n1 ZINC000230418147 949682329 /nfs/dbraw/zinc/68/23/29/949682329.db2.gz HBBSMOMIZWWFDE-SSDOTTSWSA-N -1 0 303.344 -0.503 20 0 DBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC000230761550 949721673 /nfs/dbraw/zinc/72/16/73/949721673.db2.gz DOZJTYNIILXFMD-HTQZYQBOSA-N -1 0 322.364 -0.838 20 0 DBADRM CCCCN(CCO)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001589647788 949752179 /nfs/dbraw/zinc/75/21/79/949752179.db2.gz VJOVPVMJMDHCKC-WDEREUQCSA-N -1 0 300.355 -0.023 20 0 DBADRM CCCCNC(=O)CN1CCN(C(=O)COCC(=O)[O-])CC1 ZINC001589650220 949768432 /nfs/dbraw/zinc/76/84/32/949768432.db2.gz FDCLFUASSQFKSF-UHFFFAOYSA-N -1 0 315.370 -0.852 20 0 DBADRM O=C([O-])c1cnc(C(=O)N[C@H](CO)[C@H](O)c2ccccn2)cn1 ZINC001595268230 949787375 /nfs/dbraw/zinc/78/73/75/949787375.db2.gz UMNGMMCEBAPYAO-VXGBXAGGSA-N -1 0 318.289 -0.606 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccco1)C(=O)[O-] ZINC000379187319 971610861 /nfs/dbraw/zinc/61/08/61/971610861.db2.gz RWYPTHYRXNQIIK-JGVFFNPUSA-N -1 0 312.278 -0.470 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001589670578 949934477 /nfs/dbraw/zinc/93/44/77/949934477.db2.gz HEJCNHNDGGQFQK-QGZVFWFLSA-N -1 0 301.390 -0.398 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)CCCCS(N)(=O)=O ZINC001589670582 949934531 /nfs/dbraw/zinc/93/45/31/949934531.db2.gz HZASWALNYKQRNU-UHFFFAOYSA-N -1 0 316.401 -0.819 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccccc1)C(=O)[O-] ZINC000379237869 971620589 /nfs/dbraw/zinc/62/05/89/971620589.db2.gz UIKXUJMJXHLYSL-MWLCHTKSSA-N -1 0 322.317 -0.063 20 0 DBADRM CCCN(CC(=O)OC)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589672125 949941820 /nfs/dbraw/zinc/94/18/20/949941820.db2.gz VIJPDXDNGGFMCO-UHFFFAOYSA-N -1 0 310.306 -0.042 20 0 DBADRM CC(C)C[C@H](C)NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001574146575 949946116 /nfs/dbraw/zinc/94/61/16/949946116.db2.gz ZXJMDYBWISKOFB-QMMMGPOBSA-N -1 0 321.341 -0.320 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCNC(=O)CC12CCOCC2 ZINC001595283104 949989672 /nfs/dbraw/zinc/98/96/72/949989672.db2.gz QWWPIXAVWLSFDS-WDEREUQCSA-N -1 0 310.350 -0.005 20 0 DBADRM CCCNC(=O)[C@H](C)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589675136 949992153 /nfs/dbraw/zinc/99/21/53/949992153.db2.gz ODVWBYMHMHJEDK-VHSXEESVSA-N -1 0 313.354 -0.660 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC(=O)NCC23COC3)nc1 ZINC001595285647 950020883 /nfs/dbraw/zinc/02/08/83/950020883.db2.gz GCLJDNNKNFYYFX-UHFFFAOYSA-N -1 0 305.290 -0.489 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C1CC1 ZINC001595285884 950027244 /nfs/dbraw/zinc/02/72/44/950027244.db2.gz IKCXRQGHVKTEPR-VHSXEESVSA-N -1 0 309.322 -0.503 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)CC=CC1 ZINC001595291398 950070788 /nfs/dbraw/zinc/07/07/88/950070788.db2.gz FSIFQZOKPDLESP-NSHDSACASA-N -1 0 322.361 -0.103 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC001595291475 950071290 /nfs/dbraw/zinc/07/12/90/950071290.db2.gz GMVFGEAMVOOLAW-PJPCKVBYSA-N -1 0 309.322 -0.408 20 0 DBADRM O=C([O-])c1ccccc1CNC(=O)N1CC2(C1)NC(=O)NC2=O ZINC001595291574 950072417 /nfs/dbraw/zinc/07/24/17/950072417.db2.gz IETKTSBUYLASKV-UHFFFAOYSA-N -1 0 318.289 -0.512 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)CC=CCC1 ZINC001595292009 950076762 /nfs/dbraw/zinc/07/67/62/950076762.db2.gz HCECAEFDIUWHQD-UEKVPHQBSA-N -1 0 308.334 -0.087 20 0 DBADRM O=C([O-])c1cncc(NC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 ZINC001595293157 950088999 /nfs/dbraw/zinc/08/89/99/950088999.db2.gz QZPWWVBPRIAWOD-GHMZBOCLSA-N -1 0 320.305 -0.099 20 0 DBADRM CC1(C(=O)NCC2(Nc3ccnc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001575582341 950111389 /nfs/dbraw/zinc/11/13/89/950111389.db2.gz JBGJRJZYKGTLRZ-UHFFFAOYSA-N -1 0 314.353 -0.061 20 0 DBADRM O=CN1CCC(OC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001595296003 950139110 /nfs/dbraw/zinc/13/91/10/950139110.db2.gz OYDYZIFJHWDWCA-NSHDSACASA-N -1 0 312.322 -0.526 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1nnnn1Cc1ccccc1 ZINC000379475834 971639907 /nfs/dbraw/zinc/63/99/07/971639907.db2.gz QQQHZUVZTKULJD-VXGBXAGGSA-N -1 0 303.322 -0.259 20 0 DBADRM Cc1ccnc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001485297632 1013100377 /nfs/dbraw/zinc/10/03/77/1013100377.db2.gz LCFSJWXTIDMFMT-VIFPVBQESA-N -1 0 305.342 -0.141 20 0 DBADRM CCN(C(=O)C1CCN(S(=O)(=O)NC)CC1)[C@H](C)C(=O)[O-] ZINC001589699252 950214378 /nfs/dbraw/zinc/21/43/78/950214378.db2.gz JIUIWTSTLXKSCJ-SECBINFHSA-N -1 0 321.399 -0.516 20 0 DBADRM CCN(C(=O)CN1CCC[C@H](C(=O)OC)C1=O)[C@H](C)C(=O)[O-] ZINC001589699357 950217290 /nfs/dbraw/zinc/21/72/90/950217290.db2.gz JBSRVRKHKWUSMA-ZJUUUORDSA-N -1 0 314.338 -0.280 20 0 DBADRM CCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)no1 ZINC001589713508 950348746 /nfs/dbraw/zinc/34/87/46/950348746.db2.gz UVZIZZPZNORCNG-ZCFIWIBFSA-N -1 0 306.296 -0.055 20 0 DBADRM CCN(C)C(=O)[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)C(C)C ZINC001589713657 950352292 /nfs/dbraw/zinc/35/22/92/950352292.db2.gz CQLJTDXMLLPYLT-NSHDSACASA-N -1 0 311.342 -0.405 20 0 DBADRM CCN(C)C(=O)Cn1nnnc1N1CCC(C)(C(=O)[O-])CC1 ZINC001589713752 950354519 /nfs/dbraw/zinc/35/45/19/950354519.db2.gz KBTJHBHLODUSFN-UHFFFAOYSA-N -1 0 310.358 -0.158 20 0 DBADRM CCN(CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O)[C@@H](C)C(=O)[O-] ZINC001589718951 950390862 /nfs/dbraw/zinc/39/08/62/950390862.db2.gz UTFUWFLLFDTJTC-ZETCQYMHSA-N -1 0 312.326 -0.471 20 0 DBADRM CCN(C[C@H](O)C(F)(F)F)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001589719657 950402803 /nfs/dbraw/zinc/40/28/03/950402803.db2.gz GBYWEGINNBEZFB-ZETCQYMHSA-N -1 0 310.232 -0.252 20 0 DBADRM CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001589721357 950425362 /nfs/dbraw/zinc/42/53/62/950425362.db2.gz KXAHXOXZHBIOPS-LLVKDONJSA-N -1 0 323.353 -0.164 20 0 DBADRM CCN(CCC(=O)NC)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589730025 950487525 /nfs/dbraw/zinc/48/75/25/950487525.db2.gz HSDAVQFLLWFUFQ-VIFPVBQESA-N -1 0 307.372 -0.762 20 0 DBADRM CCN(CCC(=O)NC)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589729908 950488821 /nfs/dbraw/zinc/48/88/21/950488821.db2.gz GSEXBBBXCJAYHI-UHFFFAOYSA-N -1 0 309.322 -0.469 20 0 DBADRM CCN(C[C@H]1CCOC1)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589730238 950494024 /nfs/dbraw/zinc/49/40/24/950494024.db2.gz QLWYLPIRRTWOES-SNVBAGLBSA-N -1 0 324.337 -0.209 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)[C@H]1CO ZINC000299990165 950532943 /nfs/dbraw/zinc/53/29/43/950532943.db2.gz ZHYRWBIYHDNBFS-KOLCDFICSA-N -1 0 306.384 -0.270 20 0 DBADRM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)n1C)c1nnn[n-]1 ZINC001574753651 950535233 /nfs/dbraw/zinc/53/52/33/950535233.db2.gz GMYLUQLINJILNE-ZETCQYMHSA-N -1 0 316.329 -0.406 20 0 DBADRM C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)n1C)c1nnn[n-]1 ZINC001574753650 950536510 /nfs/dbraw/zinc/53/65/10/950536510.db2.gz GMYLUQLINJILNE-SSDOTTSWSA-N -1 0 316.329 -0.406 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000380066412 971672782 /nfs/dbraw/zinc/67/27/82/971672782.db2.gz GUEKEYJAEONDNV-NKWVEPMBSA-N -1 0 314.310 -0.365 20 0 DBADRM CCN(OC)C(=O)CNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001589739079 950552426 /nfs/dbraw/zinc/55/24/26/950552426.db2.gz CHYCWGMMXFXDKD-UWVGGRQHSA-N -1 0 302.327 -0.218 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)NC[C@H](C)C(=O)[O-])CCN2C1=O ZINC001589740413 950578308 /nfs/dbraw/zinc/57/83/08/950578308.db2.gz SOCKIYJQUQDTNR-DTWKUNHWSA-N -1 0 312.326 -0.615 20 0 DBADRM CCN1CC[C@H](OC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1=O ZINC001589741165 950591240 /nfs/dbraw/zinc/59/12/40/950591240.db2.gz CVFPTLSZOPMEAO-ZJUUUORDSA-N -1 0 312.322 -0.526 20 0 DBADRM C[S@@](=O)C1(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000380119063 971677744 /nfs/dbraw/zinc/67/77/44/971677744.db2.gz OYCGQFTUYKLCCM-GWNMQOMSSA-N -1 0 304.368 -0.217 20 0 DBADRM CCN1CC[C@@H](n2nnnc2N2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC001589741751 950611477 /nfs/dbraw/zinc/61/14/77/950611477.db2.gz WGOMGMYIEZTELO-RNCFNFMXSA-N -1 0 308.342 -0.233 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCn2ncnn2)cc1F ZINC000380178843 971682691 /nfs/dbraw/zinc/68/26/91/971682691.db2.gz OKGDSZPEKXBLNB-UHFFFAOYSA-N -1 0 315.286 -0.511 20 0 DBADRM NC(=O)[C@@]1(O)CCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000380178472 971683176 /nfs/dbraw/zinc/68/31/76/971683176.db2.gz ASNYLQGXEJWJCB-SNVBAGLBSA-N -1 0 320.348 -0.943 20 0 DBADRM CC(C)[C@@](C)(NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(N)=O ZINC000380261320 971687179 /nfs/dbraw/zinc/68/71/79/971687179.db2.gz SKULHAJRYXGTDR-LLVKDONJSA-N -1 0 303.340 -0.109 20 0 DBADRM CCN1CCC[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1=O ZINC001589745106 950683544 /nfs/dbraw/zinc/68/35/44/950683544.db2.gz XKKXURDOGZFKIG-UWVGGRQHSA-N -1 0 319.383 -0.619 20 0 DBADRM CCN1OC[C@H](n2cc(CN3CCC[C@H]3C(=O)[O-])nn2)C1=O ZINC001589882115 950691870 /nfs/dbraw/zinc/69/18/70/950691870.db2.gz IRASBTNZEZGQJT-QWRGUYRKSA-N -1 0 309.326 -0.338 20 0 DBADRM CCNC(=O)CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001589882316 950693710 /nfs/dbraw/zinc/69/37/10/950693710.db2.gz MLGIOXWQZABLEN-MNOVXSKESA-N -1 0 322.365 -0.037 20 0 DBADRM CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@](C)(OC)C(=O)[O-])[C@H]2C1 ZINC001589882647 950695759 /nfs/dbraw/zinc/69/57/59/950695759.db2.gz SURNAIXPSIZWTH-WDMOLILDSA-N -1 0 300.355 -0.202 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CCO[C@](COC)(C(=O)[O-])C2)C1 ZINC001589883157 950702132 /nfs/dbraw/zinc/70/21/32/950702132.db2.gz YSNXCASTCZTPBS-SMDDNHRTSA-N -1 0 316.354 -0.964 20 0 DBADRM CCNC(=O)CCC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001589883816 950705700 /nfs/dbraw/zinc/70/57/00/950705700.db2.gz OSXIMKUNXRVUMR-ZDUSSCGKSA-N -1 0 302.327 -0.769 20 0 DBADRM CCNC(=O)[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C(C)C ZINC001589908439 950715131 /nfs/dbraw/zinc/71/51/31/950715131.db2.gz GRMDCKVBRCQYBR-LBPRGKRZSA-N -1 0 323.349 -0.177 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001589962485 950742532 /nfs/dbraw/zinc/74/25/32/950742532.db2.gz MKXVINVBLISQRL-ZJUUUORDSA-N -1 0 322.383 -0.688 20 0 DBADRM CCOC(=O)[C@@H](C)C1CN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001590058274 950776155 /nfs/dbraw/zinc/77/61/55/950776155.db2.gz MJDWKQWIOVFGKU-QMMMGPOBSA-N -1 0 310.310 -0.366 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C1(C(=O)[O-])CC1 ZINC001590058613 950780580 /nfs/dbraw/zinc/78/05/80/950780580.db2.gz PTOGFHFPGSHVMK-SFYZADRCSA-N -1 0 300.311 -0.576 20 0 DBADRM CCOC(=O)[C@@H](C)[C@@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001590058630 950780937 /nfs/dbraw/zinc/78/09/37/950780937.db2.gz QAAHPBOEDOFVFR-AEJSXWLSSA-N -1 0 322.383 -0.043 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000380376538 971691840 /nfs/dbraw/zinc/69/18/40/971691840.db2.gz SKXKXDULSCTIMJ-SECBINFHSA-N -1 0 303.336 -0.021 20 0 DBADRM CCOC(=O)[C@H](CSC)NC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001590129256 950797753 /nfs/dbraw/zinc/79/77/53/950797753.db2.gz KDKXNOZCWKXSPV-JGVFFNPUSA-N -1 0 304.324 -0.373 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](NC(N)=O)C(C)C)C1 ZINC000314346143 950816232 /nfs/dbraw/zinc/81/62/32/950816232.db2.gz BDFDYEKZEOXUOL-ZANVPECISA-N -1 0 301.343 -0.371 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@@H](C)C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001590137132 950818579 /nfs/dbraw/zinc/81/85/79/950818579.db2.gz DDECTNFJCJHFRI-IEBDPFPHSA-N -1 0 310.306 -0.116 20 0 DBADRM CCOC(=O)[C@@]1(COC)CCCN(C(=O)[C@H](OC)C(=O)[O-])C1 ZINC001590177487 950844050 /nfs/dbraw/zinc/84/40/50/950844050.db2.gz JZIQWOSMMAHDQL-HZMBPMFUSA-N -1 0 317.338 -0.096 20 0 DBADRM CCOC(=O)[C@]1(C)CN(C(=O)[C@@](C)(OC)C(=O)[O-])CCO1 ZINC001590178050 950849964 /nfs/dbraw/zinc/84/99/64/950849964.db2.gz NYZCMPDTDFWKTQ-QWHCGFSZSA-N -1 0 303.311 -0.343 20 0 DBADRM CCOC(=O)[C@]1(CNC(=O)[C@](C)(OC)C(=O)[O-])CCCOC1 ZINC001590179002 950862696 /nfs/dbraw/zinc/86/26/96/950862696.db2.gz WEALLNUZNAVRAM-KBPBESRZSA-N -1 0 317.338 -0.048 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)C(=O)[O-] ZINC000316902060 950894978 /nfs/dbraw/zinc/89/49/78/950894978.db2.gz YZKMBCYJBWPKRI-MNOVXSKESA-N -1 0 314.338 -0.233 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)[C@@H](OC)C(=O)[O-])CC12COC2 ZINC001590347503 950917997 /nfs/dbraw/zinc/91/79/97/950917997.db2.gz ULOIRYPWVAMSNT-RKDXNWHRSA-N -1 0 301.295 -0.876 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001590377369 950931420 /nfs/dbraw/zinc/93/14/20/950931420.db2.gz KKHBGBNFYVOALJ-VIFPVBQESA-N -1 0 313.310 -0.045 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N(C)C2=O)CC[C@H]1C(=O)[O-] ZINC000319079953 950947664 /nfs/dbraw/zinc/94/76/64/950947664.db2.gz BKOAHPHIPDCAPN-BBBLOLIVSA-N -1 0 311.338 -0.114 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000319126376 950948622 /nfs/dbraw/zinc/94/86/22/950948622.db2.gz FDYQCWOOLJSRBN-NEPJUHHUSA-N -1 0 311.382 -0.232 20 0 DBADRM CCOC(=O)CCCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001590414360 950955221 /nfs/dbraw/zinc/95/52/21/950955221.db2.gz XZIVZRMRCATFFC-JTQLQIEISA-N -1 0 314.338 -0.231 20 0 DBADRM CCOC(=O)CN(CCS(=O)(=O)CC(=O)[O-])C1CCC1 ZINC001590648377 950964647 /nfs/dbraw/zinc/96/46/47/950964647.db2.gz KIGQNHKTOZUUPU-UHFFFAOYSA-N -1 0 307.368 -0.097 20 0 DBADRM O=C([O-])CC1(NC(=O)Cn2ncn3nccc3c2=O)CCC1 ZINC001594979693 950973862 /nfs/dbraw/zinc/97/38/62/950973862.db2.gz WBTWTAIGNITYJK-UHFFFAOYSA-N -1 0 305.294 -0.595 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2CCCNC(=O)C2)C1 ZINC001594987464 951024910 /nfs/dbraw/zinc/02/49/10/951024910.db2.gz CRIGGACSLCXEKI-SNVBAGLBSA-N -1 0 311.338 -0.952 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-] ZINC001590958167 951028064 /nfs/dbraw/zinc/02/80/64/951028064.db2.gz MJWAISVZGXCKOK-HLTSFMKQSA-N -1 0 301.295 -0.292 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](O)[C@H](F)C2)C1 ZINC001594987478 951026305 /nfs/dbraw/zinc/02/63/05/951026305.db2.gz DADHWMXFZLTXOP-HBNTYKKESA-N -1 0 316.329 -0.369 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2CCC3(COC3)C2)C1 ZINC001594988336 951035911 /nfs/dbraw/zinc/03/59/11/951035911.db2.gz ZLFPDUFGMRHTJK-LLVKDONJSA-N -1 0 310.350 -0.051 20 0 DBADRM CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)[C@@H]3CC(C(=O)[O-])=NO3)C[C@@H]21 ZINC001591005746 951039476 /nfs/dbraw/zinc/03/94/76/951039476.db2.gz KOMPZLACLIOQEA-YKDSUIRESA-N -1 0 310.306 -0.127 20 0 DBADRM O=C([O-])C[C@H]1CCCN(c2nnnn2C[C@@H]2COCCO2)C1 ZINC001594993692 951067345 /nfs/dbraw/zinc/06/73/45/951067345.db2.gz HCCSBNGSRGLDLL-GHMZBOCLSA-N -1 0 311.342 -0.220 20 0 DBADRM COc1ncc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)s1 ZINC000380696771 971713639 /nfs/dbraw/zinc/71/36/39/971713639.db2.gz MZAUESMTWBBQTQ-UHFFFAOYSA-N -1 0 321.380 -0.457 20 0 DBADRM O=C([O-])CCC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 ZINC001594996136 951080963 /nfs/dbraw/zinc/08/09/63/951080963.db2.gz VVJAWRICVKVCBQ-UHFFFAOYSA-N -1 0 305.352 -0.343 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)CCO2)CO1 ZINC001595001898 951140232 /nfs/dbraw/zinc/14/02/32/951140232.db2.gz CSZITOZFZNKYQI-VHSXEESVSA-N -1 0 321.351 -0.555 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NC[C@@H](O)Cn2ccnn2)CO1 ZINC001595002374 951149063 /nfs/dbraw/zinc/14/90/63/951149063.db2.gz UEMJQADQZHUOLM-HBNTYKKESA-N -1 0 312.326 -0.975 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NCCNC(=O)c2ccn[nH]2)CO1 ZINC001595002556 951151571 /nfs/dbraw/zinc/15/15/71/951151571.db2.gz VZEDRQZDTXVILR-NXEZZACHSA-N -1 0 324.337 -0.474 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)N[C@H](CO)Cc2c[nH]cn2)CO1 ZINC001595003275 951164070 /nfs/dbraw/zinc/16/40/70/951164070.db2.gz CNIFPGROTZTIGP-USWWRNFRSA-N -1 0 311.338 -0.301 20 0 DBADRM C[C@H](CNC(=O)c1ccc[nH]1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575028413 951172218 /nfs/dbraw/zinc/17/22/18/951172218.db2.gz WPKUZFRAHMBIJA-MRVPVSSYSA-N -1 0 313.325 -0.363 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H]1C(=O)[O-] ZINC000380120908 951180859 /nfs/dbraw/zinc/18/08/59/951180859.db2.gz QUSCCQNPGKJSNH-KXUCPTDWSA-N -1 0 304.368 -0.074 20 0 DBADRM CCOC1CC(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1 ZINC001591739535 951181910 /nfs/dbraw/zinc/18/19/10/951181910.db2.gz UEIIOJFGUIOSFS-VQXHTEKXSA-N -1 0 319.379 -0.098 20 0 DBADRM CCO[C@@H]1CCCN(C(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC001591764981 951215013 /nfs/dbraw/zinc/21/50/13/951215013.db2.gz IMVAGGDDDYIIFA-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001591765466 951222926 /nfs/dbraw/zinc/22/29/26/951222926.db2.gz XTQXANRPFYSBLZ-OUAUKWLOSA-N -1 0 302.327 -0.325 20 0 DBADRM CCOCCO[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001591925857 951243650 /nfs/dbraw/zinc/24/36/50/951243650.db2.gz HXLHEEHLMMRBFZ-UWVGGRQHSA-N -1 0 323.367 -0.862 20 0 DBADRM CCOCCOC[C@H](O)CNC(=O)c1ccc(C(=O)[O-])cn1 ZINC001591926285 951243719 /nfs/dbraw/zinc/24/37/19/951243719.db2.gz KODCCLJYBDSIAX-LLVKDONJSA-N -1 0 312.322 -0.076 20 0 DBADRM CCOCCO[C@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001591925855 951244279 /nfs/dbraw/zinc/24/42/79/951244279.db2.gz HXLHEEHLMMRBFZ-NXEZZACHSA-N -1 0 323.367 -0.862 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC000383303226 951245498 /nfs/dbraw/zinc/24/54/98/951245498.db2.gz QMKWPGSHJBBFOA-VIFPVBQESA-N -1 0 304.324 -0.749 20 0 DBADRM Cn1nnc(Br)c1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000385298168 951279331 /nfs/dbraw/zinc/27/93/31/951279331.db2.gz RWCPLUFUYBSNMI-YFKPBYRVSA-N -1 0 319.115 -0.497 20 0 DBADRM CCOc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])on1 ZINC001592094597 951298184 /nfs/dbraw/zinc/29/81/84/951298184.db2.gz PHWJRLZXEBPJOT-SSDOTTSWSA-N -1 0 318.307 -0.603 20 0 DBADRM C[C@@H](CNC(=O)c1ccco1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575036973 951305359 /nfs/dbraw/zinc/30/53/59/951305359.db2.gz ZGBSQYUKYYTVAQ-QMMMGPOBSA-N -1 0 314.309 -0.098 20 0 DBADRM CC(C)(CCNC(=O)N1CCC(O)(C(N)=O)CC1)C(=O)[O-] ZINC000386912152 951306866 /nfs/dbraw/zinc/30/68/66/951306866.db2.gz HLIYGFOBTWHJSL-UHFFFAOYSA-N -1 0 301.343 -0.491 20 0 DBADRM C[C@H](CNC(=O)c1ccon1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575037888 951310519 /nfs/dbraw/zinc/31/05/19/951310519.db2.gz DWHDRWZOGXUELJ-SSDOTTSWSA-N -1 0 315.297 -0.703 20 0 DBADRM CCN(C(=O)c1cn(CC(=O)[O-])nn1)[C@@H]1CCS(=O)(=O)C1 ZINC000387332540 951316122 /nfs/dbraw/zinc/31/61/22/951316122.db2.gz VTEFHUSFNWYSKA-MRVPVSSYSA-N -1 0 316.339 -0.988 20 0 DBADRM CCOc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC001592691575 951351169 /nfs/dbraw/zinc/35/11/69/951351169.db2.gz MYMXLLJIADLPKD-CQSZACIVSA-N -1 0 310.306 -0.024 20 0 DBADRM O=C([O-])CCCC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC001595028433 951361204 /nfs/dbraw/zinc/36/12/04/951361204.db2.gz GFDGKRCDQSKGFW-UHFFFAOYSA-N -1 0 324.337 -0.065 20 0 DBADRM O=C([O-])CCCCCNC(=O)C(=O)N1CC[C@](F)(CO)C1 ZINC001595035002 951397694 /nfs/dbraw/zinc/39/76/94/951397694.db2.gz WBGVAWXCNWGRKU-CYBMUJFWSA-N -1 0 304.318 -0.320 20 0 DBADRM CCOc1cccnc1N1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC001593063335 951402330 /nfs/dbraw/zinc/40/23/30/951402330.db2.gz FTBAUSMMMVIOKB-UHFFFAOYSA-N -1 0 322.365 -0.197 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001593123602 951411383 /nfs/dbraw/zinc/41/13/83/951411383.db2.gz SDDFTCCBXIBQOC-LBPRGKRZSA-N -1 0 305.352 -0.296 20 0 DBADRM CCCN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000381209843 971746311 /nfs/dbraw/zinc/74/63/11/971746311.db2.gz UWNDRACPPZZYJL-UHFFFAOYSA-N -1 0 301.324 -0.334 20 0 DBADRM N#Cc1ccsc1NC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000396636920 951480607 /nfs/dbraw/zinc/48/06/07/951480607.db2.gz FQYQGOAPQDGPCP-UHFFFAOYSA-N -1 0 322.346 -0.213 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC001595055666 951493912 /nfs/dbraw/zinc/49/39/12/951493912.db2.gz CEGATYHGOZZWAI-NXEZZACHSA-N -1 0 315.395 -0.727 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC001595057490 951503793 /nfs/dbraw/zinc/50/37/93/951503793.db2.gz BPSVGODPQOLFBQ-UHFFFAOYSA-N -1 0 317.305 -0.144 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCCc1nnc2n1CCCCC2 ZINC001595056288 951503932 /nfs/dbraw/zinc/50/39/32/951503932.db2.gz YXDQLTFRCJMFFD-UHFFFAOYSA-N -1 0 323.353 -0.746 20 0 DBADRM O=C([O-])CCc1cccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)c1 ZINC001595063430 951524185 /nfs/dbraw/zinc/52/41/85/951524185.db2.gz YNMZHKIGJIXNSM-RYUDHWBXSA-N -1 0 322.317 -0.794 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC000397434180 951555546 /nfs/dbraw/zinc/55/55/46/951555546.db2.gz TWPPDQMNIQGTNE-VHSXEESVSA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC000397419038 951556472 /nfs/dbraw/zinc/55/64/72/951556472.db2.gz NMQFAZCHDWBZAU-KXUCPTDWSA-N -1 0 304.368 -0.363 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC(=O)N(CC(F)(F)F)C2)C1=O ZINC001595072565 951609819 /nfs/dbraw/zinc/60/98/19/951609819.db2.gz ZFVLQVZBGZCKAT-ZETCQYMHSA-N -1 0 309.244 -0.664 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCNS(C)(=O)=O)C1 ZINC000398838866 951613570 /nfs/dbraw/zinc/61/35/70/951613570.db2.gz OCOFVKJFPMONTF-BDAKNGLRSA-N -1 0 307.372 -0.712 20 0 DBADRM O=C([O-])CN1CC[C@@H]([N@@H+]2CCC[C@@H](N3CCOCC3)C2)C1=O ZINC001595073772 951618093 /nfs/dbraw/zinc/61/80/93/951618093.db2.gz HSELSSGEOVAHPT-CHWSQXEVSA-N -1 0 311.382 -0.532 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)C1 ZINC000398994651 951626277 /nfs/dbraw/zinc/62/62/77/951626277.db2.gz JMUJXRWBJGKNCC-KXUCPTDWSA-N -1 0 311.338 -0.114 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCC(N3CCNC3=O)CC2)C1=O ZINC001595074799 951637587 /nfs/dbraw/zinc/63/75/87/951637587.db2.gz XDGKFWCQUQEJDG-LLVKDONJSA-N -1 0 310.354 -0.839 20 0 DBADRM C[C@@H](CN(C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400127535 951644621 /nfs/dbraw/zinc/64/46/21/951644621.db2.gz OXSOVLPBUUUSEC-VHSXEESVSA-N -1 0 321.399 -0.228 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)C(F)(F)C2(O)CCC2)C1=O ZINC001595081809 951688686 /nfs/dbraw/zinc/68/86/86/951688686.db2.gz XXMVLUQXCDBIAB-SSDOTTSWSA-N -1 0 307.249 -0.235 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@@H](CO)c2ccccn2)C1=O ZINC001595082219 951694170 /nfs/dbraw/zinc/69/41/70/951694170.db2.gz DGYLFRGXSZRZOK-PWSUYJOCSA-N -1 0 321.333 -0.446 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCCc2ccc(=O)[nH]c2)C1=O ZINC001595082370 951696499 /nfs/dbraw/zinc/69/64/99/951696499.db2.gz HNUZDJFVWJDPRO-NSHDSACASA-N -1 0 321.333 -0.231 20 0 DBADRM O=C([O-])CN1CC[C@H](n2cc(Cn3ccccc3=O)nn2)C1=O ZINC001595082451 951697564 /nfs/dbraw/zinc/69/75/64/951697564.db2.gz RGOXXANCXILMOP-NSHDSACASA-N -1 0 317.305 -0.654 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)c2ccc3n[nH]c(=O)n3c2)C1=O ZINC001595082793 951702074 /nfs/dbraw/zinc/70/20/74/951702074.db2.gz WMVVUSNQUINWGV-QMMMGPOBSA-N -1 0 320.261 -0.723 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)c2cccc3c2OC(=O)C3)C1=O ZINC001595083037 951705116 /nfs/dbraw/zinc/70/51/16/951705116.db2.gz XWUZNAKTUJQQQL-JTQLQIEISA-N -1 0 319.269 -0.010 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCSC[C@@H]2CO)C1=O ZINC001595083274 951708669 /nfs/dbraw/zinc/70/86/69/951708669.db2.gz KMPDOXJZHBLFFY-UWVGGRQHSA-N -1 0 316.379 -0.754 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1=O ZINC001595083403 951709135 /nfs/dbraw/zinc/70/91/35/951709135.db2.gz KTBWQDOLCBWBJU-MNOVXSKESA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@H]2CCC[C@@H](CO)C2)C1=O ZINC001595084007 951713803 /nfs/dbraw/zinc/71/38/03/951713803.db2.gz NRNBIMTYBGSLEB-GRYCIOLGSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@@H]2CCC[C@@H](CO)C2)C1=O ZINC001595084010 951713811 /nfs/dbraw/zinc/71/38/11/951713811.db2.gz NRNBIMTYBGSLEB-IJLUTSLNSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCc3c[nH]nc3C2)C1=O ZINC001595084315 951714949 /nfs/dbraw/zinc/71/49/49/951714949.db2.gz OBKVBKOQLBDAOV-SNVBAGLBSA-N -1 0 306.322 -0.382 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCc2cc(=O)cc[nH]2)C1=O ZINC001595084459 951716257 /nfs/dbraw/zinc/71/62/57/951716257.db2.gz WPFHYTBGDKXBCQ-LLVKDONJSA-N -1 0 307.306 -0.686 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@@H](CO)CC2CCC2)C1=O ZINC001595085915 951726978 /nfs/dbraw/zinc/72/69/78/951726978.db2.gz XETVMGMVRHNUCA-VXGBXAGGSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)Nc2nc3cnccn3n2)C1=O ZINC001595086476 951734213 /nfs/dbraw/zinc/73/42/13/951734213.db2.gz CWKIMSFWRXSOGD-MRVPVSSYSA-N -1 0 318.293 -0.614 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)OCC(=O)[C@H]2CCOC2)C1=O ZINC001595087490 951746842 /nfs/dbraw/zinc/74/68/42/951746842.db2.gz OEUSNDSCXIJPIA-VHSXEESVSA-N -1 0 313.306 -0.542 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)O[C@H]2CCN(CCF)C2)C1=O ZINC001595087998 951753750 /nfs/dbraw/zinc/75/37/50/951753750.db2.gz VXYYHYKPEAWDRC-QWRGUYRKSA-N -1 0 316.329 -0.103 20 0 DBADRM O=C([O-])CN1CCCC[C@H](N2C(=O)N[C@H](CCF)C2=O)C1=O ZINC001595091897 951784224 /nfs/dbraw/zinc/78/42/24/951784224.db2.gz GKYIYQYRAYLWRQ-BDAKNGLRSA-N -1 0 315.301 -0.268 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](OC(=O)Cn2ccccc2=O)C1=O ZINC001595095913 951813430 /nfs/dbraw/zinc/81/34/30/951813430.db2.gz BDVKGICXKFKKEE-LLVKDONJSA-N -1 0 322.317 -0.143 20 0 DBADRM O=C([O-])CN1CCCC[C@H](OC(=O)[C@H]2COCCO2)C1=O ZINC001595096105 951814790 /nfs/dbraw/zinc/81/47/90/951814790.db2.gz DUOREAMSTMYJES-VHSXEESVSA-N -1 0 301.295 -0.589 20 0 DBADRM O=C([O-])CN1CCCC[C@H](N=c2nc[nH]n2CC2CC2)C1=O ZINC001595097072 951826418 /nfs/dbraw/zinc/82/64/18/951826418.db2.gz UEDNIUZGNDWGJH-NSHDSACASA-N -1 0 307.354 -0.012 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)c2ccnc(CO)c2)C1=O ZINC001595097042 951826866 /nfs/dbraw/zinc/82/68/66/951826866.db2.gz UTCBCHLPENFREB-LBPRGKRZSA-N -1 0 321.333 -0.231 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001595098669 951843202 /nfs/dbraw/zinc/84/32/02/951843202.db2.gz HUKNSPWVBMBWBB-SSDOTTSWSA-N -1 0 312.244 -0.385 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@]1(O)CCc2ccccc2C1 ZINC001595098759 951844213 /nfs/dbraw/zinc/84/42/13/951844213.db2.gz OOAVRAGCHFCNLP-HNNXBMFYSA-N -1 0 307.302 -0.350 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccnn1C1CCOCC1 ZINC001595100427 951851613 /nfs/dbraw/zinc/85/16/13/951851613.db2.gz WYFMLVUYYGYNNA-UHFFFAOYSA-N -1 0 311.294 -0.408 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001595100493 951852540 /nfs/dbraw/zinc/85/25/40/951852540.db2.gz ZUKKPOZJIQNKFV-ZIAGYGMSSA-N -1 0 323.301 -0.113 20 0 DBADRM O=C([O-])COCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1 ZINC001595105981 951877606 /nfs/dbraw/zinc/87/76/06/951877606.db2.gz QIBSXZZHVRWXBZ-NSHDSACASA-N -1 0 311.290 -0.692 20 0 DBADRM O=C([O-])COCC(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC001595108456 951901453 /nfs/dbraw/zinc/90/14/53/951901453.db2.gz YTJMXSSVBHRLEB-ZDUSSCGKSA-N -1 0 318.395 -0.588 20 0 DBADRM O=C([O-])COCCNC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001595111969 951909828 /nfs/dbraw/zinc/90/98/28/951909828.db2.gz FTOUUXHUHPQSMN-RNFRBKRXSA-N -1 0 312.244 -0.482 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCC2(C1)CCOCC2 ZINC001595112127 951911023 /nfs/dbraw/zinc/91/10/23/951911023.db2.gz KRUKWGGUDHYOGI-UHFFFAOYSA-N -1 0 314.338 -0.767 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC001595112565 951914155 /nfs/dbraw/zinc/91/41/55/951914155.db2.gz YJEUCZTZXZGQAD-GFCCVEGCSA-N -1 0 321.333 -0.038 20 0 DBADRM O=C([O-])COCCOCCN1C(=O)[C@H]2CSCN2C1=O ZINC001595112680 951916313 /nfs/dbraw/zinc/91/63/13/951916313.db2.gz DVLVMTWVIKUTDL-MRVPVSSYSA-N -1 0 304.324 -0.559 20 0 DBADRM O=C([O-])COCCOCCNC(=O)[C@H]1CCc2nncn2C1 ZINC001595112798 951916989 /nfs/dbraw/zinc/91/69/89/951916989.db2.gz JTAFMKVFXMRHFK-JTQLQIEISA-N -1 0 312.326 -0.926 20 0 DBADRM O=C([O-])COCCOCCNC(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001595112837 951918406 /nfs/dbraw/zinc/91/84/06/951918406.db2.gz LKKCUBUHGALYCF-JTQLQIEISA-N -1 0 321.351 -0.831 20 0 DBADRM O=C([O-])COCCOCCNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001595113143 951922495 /nfs/dbraw/zinc/92/24/95/951922495.db2.gz YNPFSRRMZDAYRF-LLVKDONJSA-N -1 0 323.349 -0.185 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NC[C@@H]1CCCOC1 ZINC001595113931 951931912 /nfs/dbraw/zinc/93/19/12/951931912.db2.gz MDBUVSNTGGAYAL-NSHDSACASA-N -1 0 304.343 -0.170 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NC1(CO)CCCC1 ZINC001595114033 951932956 /nfs/dbraw/zinc/93/29/56/951932956.db2.gz OUQWHKUYVMBWFH-UHFFFAOYSA-N -1 0 304.343 -0.292 20 0 DBADRM O=C([O-])COc1ccc(C(=O)NC[C@@H]2CN3CCN2CC3)cc1 ZINC001595117957 951951128 /nfs/dbraw/zinc/95/11/28/951951128.db2.gz LXWJJVRJCKGMAN-CYBMUJFWSA-N -1 0 319.361 -0.120 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N2C[C@H](CO)[C@H](CO)C2)cc1 ZINC001595118305 951954364 /nfs/dbraw/zinc/95/43/64/951954364.db2.gz ZTAFTDNLMMIXIL-TXEJJXNPSA-N -1 0 309.318 -0.177 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N2C[C@H](CO)[C@H](CO)C2)c1 ZINC001595120585 951973647 /nfs/dbraw/zinc/97/36/47/951973647.db2.gz DZQBFENSHCSEMT-TXEJJXNPSA-N -1 0 309.318 -0.177 20 0 DBADRM O=C([O-])COc1cccc(C(=O)NCCN2CCNC(=O)C2)c1 ZINC001595122704 951980476 /nfs/dbraw/zinc/98/04/76/951980476.db2.gz UWQIEOCWSHBJDK-UHFFFAOYSA-N -1 0 321.333 -0.688 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCNC(=O)CC12CCC2 ZINC001595124833 952003968 /nfs/dbraw/zinc/00/39/68/952003968.db2.gz ZIHXOPWBBDUOIX-UHFFFAOYSA-N -1 0 304.368 -0.770 20 0 DBADRM O=C([O-])CSCC(=O)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001595125323 952009739 /nfs/dbraw/zinc/00/97/39/952009739.db2.gz QTCCJNRHJGODHL-RKDXNWHRSA-N -1 0 307.393 -0.303 20 0 DBADRM O=C([O-])CS(=O)(=O)CCNCc1cc2n(n1)CCCO2 ZINC001595125458 952012553 /nfs/dbraw/zinc/01/25/53/952012553.db2.gz VBRISDFWIKRPMR-UHFFFAOYSA-N -1 0 303.340 -0.745 20 0 DBADRM O=C([O-])CS(=O)(=O)CCS(=O)(=O)c1ccc(CO)cc1 ZINC001595125531 952013355 /nfs/dbraw/zinc/01/33/55/952013355.db2.gz ZIDYTQZIVRHMQV-UHFFFAOYSA-N -1 0 322.360 -0.548 20 0 DBADRM C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000382027336 971796535 /nfs/dbraw/zinc/79/65/35/971796535.db2.gz QUMYQACGONJPQQ-ULCDLSAGSA-N -1 0 306.365 -0.175 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC[C@H]3CCNC(=O)[C@@H]32)nn1 ZINC001595141568 952082818 /nfs/dbraw/zinc/08/28/18/952082818.db2.gz BILLUERCJKJMFV-GZMMTYOYSA-N -1 0 307.310 -0.897 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@@H](O)Cc2ccccc2F)nn1 ZINC001595143195 952097382 /nfs/dbraw/zinc/09/73/82/952097382.db2.gz VQTRHIAJQCDBNI-JTQLQIEISA-N -1 0 322.296 -0.165 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@]23OCCC[C@H]2C3(F)F)nn1 ZINC001595143439 952100873 /nfs/dbraw/zinc/10/08/73/952100873.db2.gz FFORMHWGMHCPNW-KCJUWKMLSA-N -1 0 316.264 -0.093 20 0 DBADRM O=C([O-])Cn1cc(C(=O)OCCN2CCSCC2)nn1 ZINC001595144853 952107370 /nfs/dbraw/zinc/10/73/70/952107370.db2.gz MKYXHJKBVMXRMF-UHFFFAOYSA-N -1 0 300.340 -0.432 20 0 DBADRM O=C([O-])Cn1cc(COC(=O)CCn2cnccc2=O)nn1 ZINC001595146658 952117220 /nfs/dbraw/zinc/11/72/20/952117220.db2.gz OSLRNQRXIGIJOM-UHFFFAOYSA-N -1 0 307.266 -0.947 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CC([C@@H]3CCOC3)C2)n1 ZINC001595147702 952121441 /nfs/dbraw/zinc/12/14/41/952121441.db2.gz KBGABSJSZWRMFG-SECBINFHSA-N -1 0 322.321 -0.599 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCCc2cnccn2)n1 ZINC001595151319 952134308 /nfs/dbraw/zinc/13/43/08/952134308.db2.gz POEYVOCAYADQRG-UHFFFAOYSA-N -1 0 318.293 -0.945 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCC[C@H]2CCCOC2)n1 ZINC001595151416 952135497 /nfs/dbraw/zinc/13/54/97/952135497.db2.gz VUOGKJGTYWADFF-SNVBAGLBSA-N -1 0 324.337 -0.161 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CC(F)(F)C[C@H]2CO)c1=O ZINC001595152569 952145835 /nfs/dbraw/zinc/14/58/35/952145835.db2.gz BCPHFBNOXROCFE-QMMMGPOBSA-N -1 0 316.260 -0.225 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@H]2CCn3ccnc3C2)c1=O ZINC001595154330 952155993 /nfs/dbraw/zinc/15/59/93/952155993.db2.gz FEISXKFQQWMLNW-SNVBAGLBSA-N -1 0 316.317 -0.126 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCOC[C@@]23CCOC3)c1=O ZINC001595154508 952157870 /nfs/dbraw/zinc/15/78/70/952157870.db2.gz NRGUKOPXELJPDM-HNNXBMFYSA-N -1 0 322.317 -0.436 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@H](CCO)C(F)(F)F)c1=O ZINC001595154492 952158444 /nfs/dbraw/zinc/15/84/44/952158444.db2.gz NKOYBIDEQWSLRX-MRVPVSSYSA-N -1 0 322.239 -0.024 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCC2CC3(C2)OCCO3)c1=O ZINC001595154626 952158504 /nfs/dbraw/zinc/15/85/04/952158504.db2.gz ITWGDLDTQOCDMC-UHFFFAOYSA-N -1 0 322.317 -0.184 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NC[C@H](O)c2ccco2)c1=O ZINC001595155681 952165589 /nfs/dbraw/zinc/16/55/89/952165589.db2.gz UWEWZCNZHXPLBB-JTQLQIEISA-N -1 0 306.274 -0.011 20 0 DBADRM O=C([O-])Cn1cnc(N2C(=O)[C@@H]3[C@@H]4CCC[C@@H]4CN3C2=O)n1 ZINC001595158308 952178988 /nfs/dbraw/zinc/17/89/88/952178988.db2.gz RLSOUFFZBQPHQZ-MRTMQBJTSA-N -1 0 305.294 -0.070 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)OCCO[C@H]2CCOC2)c1=O ZINC001595158922 952185761 /nfs/dbraw/zinc/18/57/61/952185761.db2.gz ZMEUYEBYXWBLGI-JTQLQIEISA-N -1 0 311.290 -0.105 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](n3cncn3)C2)C1 ZINC001595162638 952201094 /nfs/dbraw/zinc/20/10/94/952201094.db2.gz WMLGXFYKPMRUKV-GHMZBOCLSA-N -1 0 321.337 -0.625 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC001595168550 952215708 /nfs/dbraw/zinc/21/57/08/952215708.db2.gz XOYPPMPMFQSZLB-PSIUFMSWSA-N -1 0 318.395 -0.127 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)C1 ZINC001595174346 952235156 /nfs/dbraw/zinc/23/51/56/952235156.db2.gz PUPMJNOIXFPKET-AXFHLTTASA-N -1 0 319.379 -0.505 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N(CCO)CCN1CCOCC1 ZINC001595178450 952243759 /nfs/dbraw/zinc/24/37/59/952243759.db2.gz UCHMDIYNGCPCKT-VXGBXAGGSA-N -1 0 300.355 -0.750 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(Cc1nnn(CC(F)(F)F)n1)C2 ZINC001595192093 952287094 /nfs/dbraw/zinc/28/70/94/952287094.db2.gz FLEJZLVJYCQDGT-XVKPBYJWSA-N -1 0 321.259 -0.232 20 0 DBADRM O=C([O-])[C@H]1CCCN(c2nnnn2CCO[C@@H]2CCOC2)C1 ZINC001595198036 952305453 /nfs/dbraw/zinc/30/54/53/952305453.db2.gz BKXWHOJBCDEWQQ-WDEREUQCSA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)CCOCC1CC1)C2 ZINC001595202817 952317188 /nfs/dbraw/zinc/31/71/88/952317188.db2.gz GORFZCBSJWRGEN-DGCLKSJQSA-N -1 0 319.379 -0.224 20 0 DBADRM C[C@H](Cn1cccn1)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001575208009 952538514 /nfs/dbraw/zinc/53/85/14/952538514.db2.gz YVDVHUOLBKGSAG-SSDOTTSWSA-N -1 0 317.313 -0.637 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)c1ccoc1CC(=O)[O-] ZINC000383043083 971846243 /nfs/dbraw/zinc/84/62/43/971846243.db2.gz RPEYUHAAXWWLRA-UHFFFAOYSA-N -1 0 304.324 -0.424 20 0 DBADRM CCOC(=O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000383694921 971887617 /nfs/dbraw/zinc/88/76/17/971887617.db2.gz ZKIFZGBSTKTQRG-UHFFFAOYSA-N -1 0 302.308 -0.037 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000383964551 971903170 /nfs/dbraw/zinc/90/31/70/971903170.db2.gz GQNIGRQSEAFMTR-UHFFFAOYSA-N -1 0 301.320 -0.233 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@H]2Cc3cnccc3NC2=O)[nH]n1 ZINC001594737759 953351484 /nfs/dbraw/zinc/35/14/84/953351484.db2.gz VDRLGXJTZUCQGR-QMMMGPOBSA-N -1 0 301.262 -0.204 20 0 DBADRM CCS(=O)(=O)N1CCN(Cc2c(C(=O)[O-])cnn2C)CC1 ZINC001593354131 953354394 /nfs/dbraw/zinc/35/43/94/953354394.db2.gz VNVFRSUQZBMGLK-UHFFFAOYSA-N -1 0 316.383 -0.414 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NC[C@H](O)[C@H]1CCCO1 ZINC001594738178 953355286 /nfs/dbraw/zinc/35/52/86/953355286.db2.gz LFCUSVATMQXOAP-VHSXEESVSA-N -1 0 323.305 -0.626 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NC[C@H](O)[C@@H]1CCCO1 ZINC001594738177 953355627 /nfs/dbraw/zinc/35/56/27/953355627.db2.gz LFCUSVATMQXOAP-UWVGGRQHSA-N -1 0 323.305 -0.626 20 0 DBADRM O=C([O-])c1cc(NC(=O)NC[C@@H](O)Cn2ccnn2)ccn1 ZINC001594738237 953356376 /nfs/dbraw/zinc/35/63/76/953356376.db2.gz NVCFWNPWKLONPQ-SECBINFHSA-N -1 0 306.282 -0.446 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@@H]3C[C@@H]3C2)CCOCC1 ZINC001594742856 953370768 /nfs/dbraw/zinc/37/07/68/953370768.db2.gz ILAPMSASUUCLCX-GHMZBOCLSA-N -1 0 310.350 -0.148 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ncnn1C ZINC001589266175 953371310 /nfs/dbraw/zinc/37/13/10/953371310.db2.gz OCUWQDDXTYOEJA-UTLUCORTSA-N -1 0 323.353 -0.439 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@@H]2CCc3nnnn3CC2)CCOCC1 ZINC001594743061 953372904 /nfs/dbraw/zinc/37/29/04/953372904.db2.gz QVOKQQDNHIFFSQ-SNVBAGLBSA-N -1 0 323.353 -0.377 20 0 DBADRM O=C([O-])C1(CNC(=O)C2=CCS(=O)(=O)C2)CCOCC1 ZINC001594743199 953373564 /nfs/dbraw/zinc/37/35/64/953373564.db2.gz UYAWVNSEXRDYTN-UHFFFAOYSA-N -1 0 303.336 -0.661 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2nc[nH]n2)C1 ZINC001589266732 953375180 /nfs/dbraw/zinc/37/51/80/953375180.db2.gz VAWCUQFRYBBWDU-RKDXNWHRSA-N -1 0 309.326 -0.668 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(CCO)CC(F)F)C1 ZINC001589267041 953376137 /nfs/dbraw/zinc/37/61/37/953376137.db2.gz YLQZIMJWFWGZBA-RKDXNWHRSA-N -1 0 322.308 -0.358 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCc2cn(C)cn2)C1 ZINC001589266837 953376295 /nfs/dbraw/zinc/37/62/95/953376295.db2.gz XWOSMRQTSSJBAC-WDEREUQCSA-N -1 0 322.365 -0.352 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001589272101 953418330 /nfs/dbraw/zinc/41/83/30/953418330.db2.gz KIVMJBWMONCGQM-DCAQKATOSA-N -1 0 300.355 -0.311 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001589272953 953429350 /nfs/dbraw/zinc/42/93/50/953429350.db2.gz RVRVLNVRASXEPI-RNFRBKRXSA-N -1 0 316.339 -0.760 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)NC[C@H]2COCCO2)CC1 ZINC001594750826 953429488 /nfs/dbraw/zinc/42/94/88/953429488.db2.gz KEGMQSMUFPWPER-ILDUYXDCSA-N -1 0 314.338 -0.722 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)C1 ZINC001589273903 953441041 /nfs/dbraw/zinc/44/10/41/953441041.db2.gz JAPOLGWJJIAUFZ-VGMNWLOBSA-N -1 0 312.326 -0.631 20 0 DBADRM CC[C@@H](NC(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1)C(=O)[O-] ZINC001593607308 953441321 /nfs/dbraw/zinc/44/13/21/953441321.db2.gz WVSTUWQEKVGZSK-ZCFIWIBFSA-N -1 0 319.339 -0.058 20 0 DBADRM CC[C@@H]1OCC[C@H]1NC(=O)NCCOCCOCC(=O)[O-] ZINC001593609266 953447677 /nfs/dbraw/zinc/44/76/77/953447677.db2.gz BAVZYLOJTUQXSW-MNOVXSKESA-N -1 0 304.343 -0.029 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCCOC(F)F)CCO1 ZINC001594756801 953464825 /nfs/dbraw/zinc/46/48/25/953464825.db2.gz CRYAVRUFBMYEKT-SSDOTTSWSA-N -1 0 310.253 -0.956 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NCCNC(=O)C2CC2)c1 ZINC001594757914 953477707 /nfs/dbraw/zinc/47/77/07/953477707.db2.gz CHYFCHSRWNJLLE-UHFFFAOYSA-N -1 0 320.305 -0.639 20 0 DBADRM O=C([O-])C1(C(=O)NCCNC(=O)c2cnccn2)CCOCC1 ZINC001594758550 953489239 /nfs/dbraw/zinc/48/92/39/953489239.db2.gz XOQBCYGGKRYNLV-UHFFFAOYSA-N -1 0 322.321 -0.796 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1cccc(C(=O)OC)n1)C(=O)[O-] ZINC001593614794 953495154 /nfs/dbraw/zinc/49/51/54/953495154.db2.gz KKVMXLSSWIIKKZ-ZETCQYMHSA-N -1 0 309.278 -0.214 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=S)NCCNS(C)(=O)=O)C1 ZINC001589280280 953495450 /nfs/dbraw/zinc/49/54/50/953495450.db2.gz YNILIADIPNEFHX-BDAKNGLRSA-N -1 0 323.440 -0.547 20 0 DBADRM CC[C@H](CO)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593615175 953497463 /nfs/dbraw/zinc/49/74/63/953497463.db2.gz XANGHBGPSNYFJS-ZJUUUORDSA-N -1 0 301.343 -0.478 20 0 DBADRM CC[C@H](NC(=O)CNS(=O)(=O)c1ccccc1N)C(=O)[O-] ZINC001593618769 953511229 /nfs/dbraw/zinc/51/12/29/953511229.db2.gz ZNCYGJGLZLWXDL-VIFPVBQESA-N -1 0 315.351 -0.474 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCS(=O)(=O)NC2CC2)CCC1 ZINC001594763154 953517763 /nfs/dbraw/zinc/51/77/63/953517763.db2.gz BPLFGCRRFRMIMX-UHFFFAOYSA-N -1 0 319.383 -0.378 20 0 DBADRM O=C(NCCS(=O)(=O)N1CCCC1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594763389 953522401 /nfs/dbraw/zinc/52/24/01/953522401.db2.gz LWLDWOHKWNKSID-AOOOYVTPSA-N -1 0 319.383 -0.426 20 0 DBADRM CC[C@H](NC(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1)C(=O)[O-] ZINC001593620901 953527220 /nfs/dbraw/zinc/52/72/20/953527220.db2.gz MJYIYVNDURDQLL-VIFPVBQESA-N -1 0 324.341 -0.107 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)NCCn1cncn1)O2 ZINC001594765881 953529580 /nfs/dbraw/zinc/52/95/80/953529580.db2.gz BLDNILQJOABFDI-IQLKVPPVSA-N -1 0 323.353 -0.010 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nnc([C@@H]3CNC(=O)C3)n2C)C1 ZINC001589285070 953555813 /nfs/dbraw/zinc/55/58/13/953555813.db2.gz SIBBMSWNYPUCAT-UTLUCORTSA-N -1 0 307.354 -0.034 20 0 DBADRM CCc1c(C(=O)N2CCO[C@](COC)(C(=O)[O-])C2)cnn1C ZINC001593627034 953558728 /nfs/dbraw/zinc/55/87/28/953558728.db2.gz WEUXTFWGHMIBPC-CQSZACIVSA-N -1 0 311.338 -0.075 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC001594771704 953565021 /nfs/dbraw/zinc/56/50/21/953565021.db2.gz QGDYNDYCVZRHSE-LBPRGKRZSA-N -1 0 319.321 -0.163 20 0 DBADRM CCc1cc(CC(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)n(C)n1 ZINC001593630471 953578477 /nfs/dbraw/zinc/57/84/77/953578477.db2.gz CTOXAYUAUARCCF-LLVKDONJSA-N -1 0 309.322 -0.246 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)NCc1cccnn1)C1CCC1 ZINC001594776944 953592890 /nfs/dbraw/zinc/59/28/90/953592890.db2.gz BXBMOYCFNRJHIS-LLVKDONJSA-N -1 0 306.322 -0.290 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCc2nnc(C3CC3)s2)C1 ZINC001594778072 953608184 /nfs/dbraw/zinc/60/81/84/953608184.db2.gz XFSUTPBMTSSAMM-QMMMGPOBSA-N -1 0 324.362 -0.035 20 0 DBADRM C[C@H]1C[C@@H](n2nnnc2N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC001589293887 953625561 /nfs/dbraw/zinc/62/55/61/953625561.db2.gz AGOMMMIPUSIDMZ-BBGACYKPSA-N -1 0 323.353 -0.050 20 0 DBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@@H]1C(=O)[O-] ZINC000384639145 971948931 /nfs/dbraw/zinc/94/89/31/971948931.db2.gz VPMMZKFFOBKGQP-RKDXNWHRSA-N -1 0 324.424 -0.267 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NOC[C@@H]1CCOC1)C2 ZINC001594785858 953669580 /nfs/dbraw/zinc/66/95/80/953669580.db2.gz WSKWBBODMQEHEN-NRUUGDAUSA-N -1 0 300.311 -0.303 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001594792658 953697662 /nfs/dbraw/zinc/69/76/62/953697662.db2.gz XAZWPWFTKQCMDZ-KIGUWFBYSA-N -1 0 310.350 -0.413 20 0 DBADRM CCc1nn(C)c(CC)c1S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC001593653770 953726806 /nfs/dbraw/zinc/72/68/06/953726806.db2.gz RDXWBKAROWYXEE-LBPRGKRZSA-N -1 0 319.383 -0.341 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001593654651 953739524 /nfs/dbraw/zinc/73/95/24/953739524.db2.gz PBCDLDGKKLGGHX-SECBINFHSA-N -1 0 303.340 -0.543 20 0 DBADRM CCc1nocc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001593657200 953754103 /nfs/dbraw/zinc/75/41/03/953754103.db2.gz NNLVOYKFXOBFDT-SECBINFHSA-N -1 0 302.308 -0.439 20 0 DBADRM CCn1cc(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)cn1 ZINC001593664811 953821429 /nfs/dbraw/zinc/82/14/29/953821429.db2.gz AUCRQRYOOXJOBX-UHFFFAOYSA-N -1 0 320.309 -0.561 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCC(O)(CO)CC1 ZINC001594811979 953838333 /nfs/dbraw/zinc/83/83/33/953838333.db2.gz RPXYSZHKRDPBEQ-UHFFFAOYSA-N -1 0 323.305 -0.936 20 0 DBADRM CCn1nc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)ccc1=O ZINC001593670701 953879881 /nfs/dbraw/zinc/87/98/81/953879881.db2.gz MVHUZSDBCGQQJF-LLVKDONJSA-N -1 0 305.294 -0.448 20 0 DBADRM CCn1nncc1CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593673969 953898748 /nfs/dbraw/zinc/89/87/48/953898748.db2.gz IUVORPZNHDUMIX-JTQLQIEISA-N -1 0 309.326 -0.763 20 0 DBADRM CCn1nncc1CNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001593674464 953903876 /nfs/dbraw/zinc/90/38/76/953903876.db2.gz QSSJAYNIVSEGIB-UHFFFAOYSA-N -1 0 311.342 -0.021 20 0 DBADRM CCn1ncn(NC(=O)C2(C(=O)[O-])CCSCC2)c1=O ZINC001593674720 953907654 /nfs/dbraw/zinc/90/76/54/953907654.db2.gz YNLQAPJXPJETKJ-UHFFFAOYSA-N -1 0 300.340 -0.267 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CCc3cccnc32)CC1 ZINC001594826027 953940763 /nfs/dbraw/zinc/94/07/63/953940763.db2.gz YSZDRGYQKLRWLG-LLVKDONJSA-N -1 0 303.318 -0.133 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cn2cc(Cl)cn2)CC1 ZINC001594826686 953943934 /nfs/dbraw/zinc/94/39/34/953943934.db2.gz HZSYYZHBXMLMJT-UHFFFAOYSA-N -1 0 300.702 -0.708 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cc3n(n2)CCCO3)CC1 ZINC001594827029 953945130 /nfs/dbraw/zinc/94/51/30/953945130.db2.gz VFFMUYJHSKNMAL-UHFFFAOYSA-N -1 0 308.294 -0.965 20 0 DBADRM O=C([O-])C(=O)N1CCN(Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC001594827655 953948811 /nfs/dbraw/zinc/94/88/11/953948811.db2.gz HXBVQTSENSNPOE-UHFFFAOYSA-N -1 0 306.322 -0.212 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H]2C[C@@H](O)C2)C[C@H]1C(=O)[O-] ZINC001589332220 953949922 /nfs/dbraw/zinc/94/99/22/953949922.db2.gz DFXAKPSUDNTDFB-WISYIIOYSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H]1CCCN(S(=O)(=O)N2CCN(C)CC2)[C@@H]1C(=O)[O-] ZINC001589332740 953955486 /nfs/dbraw/zinc/95/54/86/953955486.db2.gz CTZBWFGHAWIZIP-QWRGUYRKSA-N -1 0 305.400 -0.336 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cn3c(n2)CCCC3)CC1 ZINC001594828227 953955482 /nfs/dbraw/zinc/95/54/82/953955482.db2.gz LIDFFLUABJORFK-UHFFFAOYSA-N -1 0 306.322 -0.412 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])[C@H]1CO ZINC001589333149 953961559 /nfs/dbraw/zinc/96/15/59/953961559.db2.gz ZLYLNXCTKXTQRF-ZJUUUORDSA-N -1 0 300.355 -0.167 20 0 DBADRM CN(C)C(=O)CC1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001593684493 953985407 /nfs/dbraw/zinc/98/54/07/953985407.db2.gz XZDHLSGQJOUIBV-LLVKDONJSA-N -1 0 311.338 -0.067 20 0 DBADRM CN(C)C(=O)CCCn1nnnc1N1CCC(C(=O)[O-])CC1 ZINC001593684472 953985613 /nfs/dbraw/zinc/98/56/13/953985613.db2.gz WTHUXQHARIUURC-UHFFFAOYSA-N -1 0 310.358 -0.158 20 0 DBADRM CN(C)C(=O)NCCNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001593686189 953988966 /nfs/dbraw/zinc/98/89/66/953988966.db2.gz CCYHEOOZTQUVRY-NXEZZACHSA-N -1 0 301.343 -0.356 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001593686607 953992301 /nfs/dbraw/zinc/99/23/01/953992301.db2.gz BJEMYFJCFXXOFO-QWRGUYRKSA-N -1 0 312.370 -0.640 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CCS1(=O)=O ZINC001589335936 953993007 /nfs/dbraw/zinc/99/30/07/953993007.db2.gz HZDCXIRTUFIJFH-VXNVDRBHSA-N -1 0 304.324 -0.749 20 0 DBADRM CN(C)C(=O)Cn1cc(-c2nc(C3(C(=O)[O-])CCC3)no2)nn1 ZINC001593687060 953995005 /nfs/dbraw/zinc/99/50/05/953995005.db2.gz KFLAUQMRSOJSSO-UHFFFAOYSA-N -1 0 320.309 -0.077 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001593687119 953996461 /nfs/dbraw/zinc/99/64/61/953996461.db2.gz MYBKEWJLUUUUJK-BDAKNGLRSA-N -1 0 309.326 -0.194 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)c2cc(C(=O)[O-])nn2C)cn1 ZINC001593687710 954000965 /nfs/dbraw/zinc/00/09/65/954000965.db2.gz ZLNZERZWZCFCQG-UHFFFAOYSA-N -1 0 320.309 -0.345 20 0 DBADRM CN(C)C(=O)O[C@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001593687763 954002207 /nfs/dbraw/zinc/00/22/07/954002207.db2.gz YENGKJPZJORHIP-WCBMZHEXSA-N -1 0 313.310 -0.095 20 0 DBADRM CN(C)Cc1nc(C(C)(C)NC(=O)COCC(=O)[O-])no1 ZINC001593703570 954141858 /nfs/dbraw/zinc/14/18/58/954141858.db2.gz DOTRXEAUEPRAFC-UHFFFAOYSA-N -1 0 300.315 -0.416 20 0 DBADRM CN(C)S(=O)(=O)C[C@@H](NC(=O)NCC(=O)[O-])C(F)(F)F ZINC001593704154 954144300 /nfs/dbraw/zinc/14/43/00/954144300.db2.gz NWLOHWYXVMDZIO-RXMQYKEDSA-N -1 0 321.277 -0.808 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001593704116 954144389 /nfs/dbraw/zinc/14/43/89/954144389.db2.gz LXWXQSZNCPIPHF-WDEREUQCSA-N -1 0 318.395 -0.163 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001593704435 954147317 /nfs/dbraw/zinc/14/73/17/954147317.db2.gz VSMUAKQUZLAESQ-UHFFFAOYSA-N -1 0 301.324 0.000 20 0 DBADRM CN(C)S(=O)(=O)NCc1nc(C2(C(=O)[O-])CCC2)no1 ZINC001593707971 954156062 /nfs/dbraw/zinc/15/60/62/954156062.db2.gz DFMZGSDGWZPDRZ-UHFFFAOYSA-N -1 0 304.328 -0.528 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)C(=O)[O-])co1 ZINC001593708172 954157044 /nfs/dbraw/zinc/15/70/44/954157044.db2.gz IVBNYTJBVUUUFU-UHFFFAOYSA-N -1 0 305.264 -0.660 20 0 DBADRM C[C@@H]1CCN(c2nnnn2[C@@H]2CCN(C)C2=O)C[C@H]1C(=O)[O-] ZINC001589362495 954161491 /nfs/dbraw/zinc/16/14/91/954161491.db2.gz OPEALSYXHKCECY-OPRDCNLKSA-N -1 0 308.342 -0.377 20 0 DBADRM O=C([O-])C1(C(=O)N2CCO[C@H](CN3CCOCC3)C2)CCC1 ZINC001594850010 954173954 /nfs/dbraw/zinc/17/39/54/954173954.db2.gz ZENMKAFBCZNNOD-GFCCVEGCSA-N -1 0 312.366 -0.199 20 0 DBADRM O=C([O-])C1(C(=O)N2CC[C@@]3(O)C[C@H]3C2)CCS(=O)(=O)CC1 ZINC001594850643 954181963 /nfs/dbraw/zinc/18/19/63/954181963.db2.gz UDICLSNMMDKOOG-TVQRCGJNSA-N -1 0 317.363 -0.751 20 0 DBADRM CN(C)c1ccc(NC(=O)C(=O)NCCOCC(=O)[O-])cc1 ZINC001593710423 954181959 /nfs/dbraw/zinc/18/19/59/954181959.db2.gz CDITXOSCOWHAIR-UHFFFAOYSA-N -1 0 309.322 -0.092 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)CC[C@H]1C(=O)[O-] ZINC001589365482 954188490 /nfs/dbraw/zinc/18/84/90/954188490.db2.gz QMTASDHLBGBMKB-JNIYBQFBSA-N -1 0 310.350 -0.604 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)CC[C@H]1C(=O)[O-] ZINC001589366407 954199364 /nfs/dbraw/zinc/19/93/64/954199364.db2.gz NMDUXXOMAJGRQZ-GXSJLCMTSA-N -1 0 321.333 -0.107 20 0 DBADRM CN(C)c1ccc2nnc(CNC(=O)[C@@H]3CC[C@H]3C(=O)[O-])n2n1 ZINC001593714826 954202115 /nfs/dbraw/zinc/20/21/15/954202115.db2.gz QNAODSYQPXDWCI-RKDXNWHRSA-N -1 0 318.337 -0.083 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])CC(C)(C)O1 ZINC001589367326 954205449 /nfs/dbraw/zinc/20/54/49/954205449.db2.gz VFCYBWONRXEXHL-SECBINFHSA-N -1 0 302.327 -0.770 20 0 DBADRM CN(C)c1nc(CNCCS(=O)(=O)CC(=O)[O-])cs1 ZINC001593715388 954213105 /nfs/dbraw/zinc/21/31/05/954213105.db2.gz OGMWAKFCRDOBPB-UHFFFAOYSA-N -1 0 307.397 -0.202 20 0 DBADRM CN(C)c1ncc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cn1 ZINC001593715742 954217751 /nfs/dbraw/zinc/21/77/51/954217751.db2.gz USDGUCTZFROHRP-JTQLQIEISA-N -1 0 314.367 -0.774 20 0 DBADRM C[C@@H]1CN(C(=O)C2=NN(CCO)C(=O)CC2)CC[C@H]1C(=O)[O-] ZINC001589373780 954230133 /nfs/dbraw/zinc/23/01/33/954230133.db2.gz GNOZOWYWPZEHFD-NXEZZACHSA-N -1 0 311.338 -0.474 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CCN1CCO ZINC001589373862 954232101 /nfs/dbraw/zinc/23/21/01/954232101.db2.gz XTCDZTGVJNVQGZ-AGIUHOORSA-N -1 0 314.382 -0.219 20 0 DBADRM O=C([O-])[C@]1(C(=O)NCC2(OCCO)CCOCC2)CCCO1 ZINC001594856100 954235163 /nfs/dbraw/zinc/23/51/63/954235163.db2.gz IKRALPPHCQJVFB-CQSZACIVSA-N -1 0 317.338 -0.706 20 0 DBADRM CN(CC(=O)NCc1ccco1)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001593719171 954240942 /nfs/dbraw/zinc/24/09/42/954240942.db2.gz OZZUAGAGVHGAKG-UHFFFAOYSA-N -1 0 321.293 -0.656 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001593719408 954241855 /nfs/dbraw/zinc/24/18/55/954241855.db2.gz INAFRDIXOZYYPF-OLZOCXBDSA-N -1 0 307.306 -0.477 20 0 DBADRM C[C@H]1CN(C(=O)[C@]2(C(=O)[O-])CCCO2)CCS(=O)(=O)C1 ZINC001589376031 954256509 /nfs/dbraw/zinc/25/65/09/954256509.db2.gz SOQDBYGDKVEYET-CABZTGNLSA-N -1 0 305.352 -0.487 20 0 DBADRM CN(CC(=O)[O-])Cc1cn(C[C@@H]2CCCS(=O)(=O)C2)nn1 ZINC001593722344 954258413 /nfs/dbraw/zinc/25/84/13/954258413.db2.gz BVHNZLQYVYKQSD-JTQLQIEISA-N -1 0 316.383 -0.381 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@H]2CCOC2)CCS(=O)(=O)CC1 ZINC001594859043 954261927 /nfs/dbraw/zinc/26/19/27/954261927.db2.gz DSJBVQDZHBCZPN-VIFPVBQESA-N -1 0 305.352 -0.581 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC001593723526 954264611 /nfs/dbraw/zinc/26/46/11/954264611.db2.gz HBQUIKOMEVDFPW-UHFFFAOYSA-N -1 0 304.255 -0.035 20 0 DBADRM CN(CC(C)(C)CO)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593724182 954269418 /nfs/dbraw/zinc/26/94/18/954269418.db2.gz NOQXCFBNAPRFDA-UHFFFAOYSA-N -1 0 321.395 -0.257 20 0 DBADRM CN(CC(=O)O[C@H]1CCN(CC(=O)[O-])C1=O)c1ncccn1 ZINC001593724107 954269455 /nfs/dbraw/zinc/26/94/55/954269455.db2.gz LEIICXUESRKGLE-VIFPVBQESA-N -1 0 308.294 -0.859 20 0 DBADRM CN(CC1(CO)CC1)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593726251 954272757 /nfs/dbraw/zinc/27/27/57/954272757.db2.gz AHCSAGLYBZNSTH-UHFFFAOYSA-N -1 0 310.310 -0.863 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CCO1 ZINC001589377332 954273132 /nfs/dbraw/zinc/27/31/32/954273132.db2.gz KNUBSUYIHOEVNH-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM CN(CC1(CO)CC1)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001593727430 954289738 /nfs/dbraw/zinc/28/97/38/954289738.db2.gz YXFMZKFHBYDBDN-LLVKDONJSA-N -1 0 312.366 -0.069 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001593727934 954294773 /nfs/dbraw/zinc/29/47/73/954294773.db2.gz VGHMAXVBDHMSSJ-RYUDHWBXSA-N -1 0 300.355 -0.751 20 0 DBADRM CN(C[C@@H](O)C(F)(F)F)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593728006 954296346 /nfs/dbraw/zinc/29/63/46/954296346.db2.gz XMXOIOPGYKHGAY-NKWVEPMBSA-N -1 0 320.289 -0.365 20 0 DBADRM O=C([O-])C1(C(=O)NCc2nnc3c(=O)[nH]ccn23)CC=CC1 ZINC001594864485 954309654 /nfs/dbraw/zinc/30/96/54/954309654.db2.gz DZHNWFBJRWMNMA-UHFFFAOYSA-N -1 0 303.278 -0.545 20 0 DBADRM CN(C[C@@H]1CCCOC1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001593729802 954312697 /nfs/dbraw/zinc/31/26/97/954312697.db2.gz PZRQQWYXWGIVKF-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM CN(CC1CCOCC1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001593730063 954313906 /nfs/dbraw/zinc/31/39/06/954313906.db2.gz STVCICKPJWYFNI-NSHDSACASA-N -1 0 314.338 -0.817 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@H](C(C)(C)O)C1 ZINC001593731382 954319317 /nfs/dbraw/zinc/31/93/17/954319317.db2.gz LYUZQEFCSTWXNK-JTQLQIEISA-N -1 0 300.355 -0.071 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC001593731579 954320021 /nfs/dbraw/zinc/32/00/21/954320021.db2.gz MINDNZRGQBCZLA-LLVKDONJSA-N -1 0 320.349 -0.290 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC001593731780 954322259 /nfs/dbraw/zinc/32/22/59/954322259.db2.gz TWOMPIRUINKOBO-UHFFFAOYSA-N -1 0 321.337 -0.942 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NCCCN1C(=O)NC(C)(C)C1=O ZINC001593736189 954338532 /nfs/dbraw/zinc/33/85/32/954338532.db2.gz PVSUIHDPSOZCIB-UHFFFAOYSA-N -1 0 314.342 -0.177 20 0 DBADRM CN(CCCC(=O)NC[C@](C)(O)C(=O)[O-])C(=O)c1ccncc1 ZINC001593742298 954362915 /nfs/dbraw/zinc/36/29/15/954362915.db2.gz ZKKMRYMUUNHKSB-HNNXBMFYSA-N -1 0 323.349 -0.114 20 0 DBADRM O=C([O-])C1(C(=O)OC[C@]2(F)CCOC2)CCS(=O)(=O)CC1 ZINC001594874633 954369513 /nfs/dbraw/zinc/36/95/13/954369513.db2.gz CYNUTJNLLOOLQT-NSHDSACASA-N -1 0 324.326 -0.062 20 0 DBADRM C[C@@H]1OCC[C@@]12CN([C@@H]1CCN(CC(=O)[O-])C1=O)C[C@@H](C)O2 ZINC001589395974 954370974 /nfs/dbraw/zinc/37/09/74/954370974.db2.gz PXHVYMHZZZHOFZ-NWJSVONSSA-N -1 0 312.366 -0.060 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)c1ccnc(S(N)(=O)=O)c1 ZINC001593747112 954391939 /nfs/dbraw/zinc/39/19/39/954391939.db2.gz NDUBPEXGUQUDTP-UHFFFAOYSA-N -1 0 301.324 -0.334 20 0 DBADRM C[C@@H]1CN(CN2C[C@@H](C(=O)[O-])CC2=O)C[C@H](C)S1(=O)=O ZINC001589399334 954401547 /nfs/dbraw/zinc/40/15/47/954401547.db2.gz PLHMRFGUAFLAEJ-AEJSXWLSSA-N -1 0 304.368 -0.616 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001593750956 954407916 /nfs/dbraw/zinc/40/79/16/954407916.db2.gz MQNXTNWQCQWMBO-VHSXEESVSA-N -1 0 322.383 -0.736 20 0 DBADRM C[C@@H]1CN(CCNC(=O)c2cccn(CC(=O)[O-])c2=O)CCO1 ZINC001589400373 954418451 /nfs/dbraw/zinc/41/84/51/954418451.db2.gz PHNBMPVVIBYQFC-LLVKDONJSA-N -1 0 323.349 -0.617 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)C[C@@H]2CCOC2)CCOCC1 ZINC001594880326 954423623 /nfs/dbraw/zinc/42/36/23/954423623.db2.gz TYRJPBRCVDHUBE-SNVBAGLBSA-N -1 0 307.368 -0.176 20 0 DBADRM CN(CCNC(=O)[C@@]1(C(=O)[O-])CC1(C)C)CCS(C)(=O)=O ZINC001593751830 954424015 /nfs/dbraw/zinc/42/40/15/954424015.db2.gz NUUGUZYIDMKBSI-CYBMUJFWSA-N -1 0 320.411 -0.420 20 0 DBADRM O=C([O-])[C@]1(NCc2nnnn2CC2CCOCC2)CCOC1 ZINC001594883151 954444579 /nfs/dbraw/zinc/44/45/79/954444579.db2.gz IVUZVEUQNGVIFY-ZDUSSCGKSA-N -1 0 311.342 -0.567 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@@H](CO)[C@@H]2C)c1C(=O)[O-] ZINC000385783943 972014613 /nfs/dbraw/zinc/01/46/13/972014613.db2.gz MHVBKWNXQZGENZ-YUMQZZPRSA-N -1 0 303.340 -0.192 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)C1 ZINC001594885008 954455347 /nfs/dbraw/zinc/45/53/47/954455347.db2.gz CKAINRTXWOMVQR-KCJUWKMLSA-N -1 0 309.322 -0.267 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CC(CNC(=O)C(F)(F)F)C2)C1 ZINC001594885074 954456859 /nfs/dbraw/zinc/45/68/59/954456859.db2.gz FEOOHSUBLSNZAN-SSDOTTSWSA-N -1 0 323.227 -0.647 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCC(CN3CCNC3=O)CC2)C1 ZINC001594885058 954457104 /nfs/dbraw/zinc/45/71/04/954457104.db2.gz DQQFFOVWLWMLRL-NSHDSACASA-N -1 0 324.337 -0.520 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1C(=O)C1(CC(=O)[O-])CCOCC1 ZINC001589405182 954458829 /nfs/dbraw/zinc/45/88/29/954458829.db2.gz AMSXYLMHTKYCRI-GHMZBOCLSA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCC[C@@H](N3CCCC3=O)C2)C1 ZINC001594885568 954458839 /nfs/dbraw/zinc/45/88/39/954458839.db2.gz KJNNGOFPPQRYEN-KOLCDFICSA-N -1 0 309.322 -0.171 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1C(=O)C1(CC(=O)[O-])CCOCC1 ZINC001589405185 954458892 /nfs/dbraw/zinc/45/88/92/954458892.db2.gz AMSXYLMHTKYCRI-QWRGUYRKSA-N -1 0 301.339 -0.134 20 0 DBADRM CN(CCc1cnccn1)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001593756775 954459659 /nfs/dbraw/zinc/45/96/59/954459659.db2.gz GJKINNIMQBVCIH-HNNXBMFYSA-N -1 0 320.349 -0.199 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001589408223 954485248 /nfs/dbraw/zinc/48/52/48/954485248.db2.gz ASZWLMINQZBUPK-NXEZZACHSA-N -1 0 304.368 -0.819 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001589408227 954485532 /nfs/dbraw/zinc/48/55/32/954485532.db2.gz ASZWLMINQZBUPK-ZJUUUORDSA-N -1 0 304.368 -0.819 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCN(CCCCCO)CC2)C1 ZINC001594889528 954502969 /nfs/dbraw/zinc/50/29/69/954502969.db2.gz HDNQPUDWDXWLOL-LBPRGKRZSA-N -1 0 313.354 -0.477 20 0 DBADRM CN(Cc1nnc2n1CCNC2=O)C(=O)C1(CC(=O)[O-])CCC1 ZINC001593765119 954510368 /nfs/dbraw/zinc/51/03/68/954510368.db2.gz KBFMIFUOSXRWLD-UHFFFAOYSA-N -1 0 321.337 -0.375 20 0 DBADRM CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCCCCC(=O)[O-] ZINC001593765491 954514144 /nfs/dbraw/zinc/51/41/44/954514144.db2.gz RULQNBNLOLSCEX-UHFFFAOYSA-N -1 0 322.325 -0.186 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCCCOC[C@@H]2CCCO2)C1 ZINC001594890534 954517868 /nfs/dbraw/zinc/51/78/68/954517868.db2.gz JBDUXBIXDWTGNS-ONGXEEELSA-N -1 0 300.311 -0.082 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2ncccc2C(=O)[O-])C1=O ZINC001593767213 954530040 /nfs/dbraw/zinc/53/00/40/954530040.db2.gz RPVRKOUJXNBIFB-UHFFFAOYSA-N -1 0 306.234 -0.861 20 0 DBADRM CN1C(=O)CCc2cc(C(=O)OCC(=O)NCC(=O)[O-])ccc21 ZINC001593768651 954534726 /nfs/dbraw/zinc/53/47/26/954534726.db2.gz GKAUDSZOYNCQHA-UHFFFAOYSA-N -1 0 320.301 -0.047 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCCN=S2(=O)CCCC2)C1 ZINC001594892294 954544022 /nfs/dbraw/zinc/54/40/22/954544022.db2.gz RKIBIKQJTGBABD-SECBINFHSA-N -1 0 303.340 -0.406 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589415620 954547319 /nfs/dbraw/zinc/54/73/19/954547319.db2.gz JQSRKSZRBHHSHK-XKSSXDPKSA-N -1 0 313.310 -0.935 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001589415636 954547439 /nfs/dbraw/zinc/54/74/39/954547439.db2.gz KBIBKFCBQONQIL-YGRLFVJLSA-N -1 0 301.339 -0.086 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589415618 954547871 /nfs/dbraw/zinc/54/78/71/954547871.db2.gz JQSRKSZRBHHSHK-OYNCUSHFSA-N -1 0 313.310 -0.935 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589415619 954548050 /nfs/dbraw/zinc/54/80/50/954548050.db2.gz JQSRKSZRBHHSHK-QXFUBDJGSA-N -1 0 313.310 -0.935 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCC2(C3(O)CCOCC3)CC2)C1 ZINC001594893081 954550870 /nfs/dbraw/zinc/55/08/70/954550870.db2.gz XWMXSTYBHVNPCW-SNVBAGLBSA-N -1 0 312.322 -0.346 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCCN2C[C@@H]3CCCCN3C2=O)C1 ZINC001594893051 954551316 /nfs/dbraw/zinc/55/13/16/954551316.db2.gz XMJVNLXXSZXFSO-ONGXEEELSA-N -1 0 324.337 -0.378 20 0 DBADRM CN1C[C@H](COC(=O)c2cccn(CC(=O)[O-])c2=O)CCC1=O ZINC001593772321 954551307 /nfs/dbraw/zinc/55/13/07/954551307.db2.gz HFDJMWWNOOPAHV-SNVBAGLBSA-N -1 0 322.317 -0.042 20 0 DBADRM CN1C[C@H](C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1=O ZINC001593772585 954553680 /nfs/dbraw/zinc/55/36/80/954553680.db2.gz LTMXZVFRZXKVBI-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1C[C@@H](CCn2nnnc2N2CC[C@H](C(=O)[O-])C2)CC1=O ZINC001593772654 954555111 /nfs/dbraw/zinc/55/51/11/954555111.db2.gz NYLACMHSZRVVMX-UWVGGRQHSA-N -1 0 308.342 -0.548 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])c2ccccc2C1=O ZINC001593772661 954555641 /nfs/dbraw/zinc/55/56/41/954555641.db2.gz OBLXKTFZEALWBY-IAQYHMDHSA-N -1 0 306.318 -0.192 20 0 DBADRM CN1C[C@H](C(=O)NCC(=O)[O-])N(C(=O)OC(C)(C)C)CC1=O ZINC001593772870 954556458 /nfs/dbraw/zinc/55/64/58/954556458.db2.gz SPDIRINTSGXHMW-MRVPVSSYSA-N -1 0 315.326 -0.735 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)[C@@H](O)C3CC3)CC2)C1 ZINC001594894909 954557605 /nfs/dbraw/zinc/55/76/05/954557605.db2.gz BYLHDRIOZXOOOR-MFKMUULPSA-N -1 0 310.350 -0.319 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)NC1=O ZINC001593773055 954557804 /nfs/dbraw/zinc/55/78/04/954557804.db2.gz XEGRGULWGJWUAV-HDCINBLHSA-N -1 0 311.338 -0.461 20 0 DBADRM CN1CC(N2CCN(C(=O)c3ccc(C(=O)[O-])nc3)CC2)C1 ZINC001593773011 954557817 /nfs/dbraw/zinc/55/78/17/954557817.db2.gz UWEKBWRXERBPLP-UHFFFAOYSA-N -1 0 304.350 -0.148 20 0 DBADRM C[C@H]1OCC[C@H]1S(=O)(=O)NCCOCCOCC(=O)[O-] ZINC001589417131 954561945 /nfs/dbraw/zinc/56/19/45/954561945.db2.gz NJKFPRBXPIDSJV-NXEZZACHSA-N -1 0 311.356 -0.799 20 0 DBADRM CN1C[C@H](O)C[C@H]1c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1C ZINC001593773485 954563373 /nfs/dbraw/zinc/56/33/73/954563373.db2.gz GQZNWYGUOUGLDZ-MXWKQRLJSA-N -1 0 309.370 -0.146 20 0 DBADRM CN1C[C@H](NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCC1=O ZINC001593774372 954582264 /nfs/dbraw/zinc/58/22/64/954582264.db2.gz PYEPPLFNOGSXTD-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CCC(Cn3cnnc3)CC2)C1 ZINC001594898490 954592884 /nfs/dbraw/zinc/59/28/84/954592884.db2.gz LNUDEODDZJPHLM-LBPRGKRZSA-N -1 0 307.354 -0.119 20 0 DBADRM CN1CC[C@@H]1CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593777673 954609346 /nfs/dbraw/zinc/60/93/46/954609346.db2.gz FNBHVBIRCXTKMB-SECBINFHSA-N -1 0 304.368 -0.914 20 0 DBADRM CN1CCCC[C@H](C(=O)NCCOCCOCC(=O)[O-])C1=O ZINC001593780523 954651358 /nfs/dbraw/zinc/65/13/58/954651358.db2.gz GNGSOLIMIZHYPU-LLVKDONJSA-N -1 0 316.354 -0.521 20 0 DBADRM CN1CCC[C@@H](OC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1=O ZINC001593780734 954654141 /nfs/dbraw/zinc/65/41/41/954654141.db2.gz JWMJJTMPIDETQD-NXEZZACHSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001593781180 954665030 /nfs/dbraw/zinc/66/50/30/954665030.db2.gz IOARLIKBYFIYFI-XYPYZODXSA-N -1 0 312.370 -0.687 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)[C@@H](CO)C1 ZINC001593781213 954665376 /nfs/dbraw/zinc/66/53/76/954665376.db2.gz JHNGPMBQGKKIAM-QJPTWQEYSA-N -1 0 300.355 -0.609 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1 ZINC001593781627 954674543 /nfs/dbraw/zinc/67/45/43/954674543.db2.gz VULQJVSVVFLDJN-UHFFFAOYSA-N -1 0 323.353 -0.585 20 0 DBADRM CN1CC[NH+](CCCCNC(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001593785084 954693290 /nfs/dbraw/zinc/69/32/90/954693290.db2.gz KVVKKKDKPVGKRX-UHFFFAOYSA-N -1 0 321.381 -0.068 20 0 DBADRM CN1CCn2c(CNC(=O)CCCCC(=O)[O-])nnc2C1=O ZINC001593786845 954710182 /nfs/dbraw/zinc/71/01/82/954710182.db2.gz RLIARBPIDFBTFM-UHFFFAOYSA-N -1 0 309.326 -0.375 20 0 DBADRM CN1CCOC[C@@]1(CO)CNC(=O)NCCC(C)(C)C(=O)[O-] ZINC001593787313 954721698 /nfs/dbraw/zinc/72/16/98/954721698.db2.gz BEECWFWJBRNYMY-AWEZNQCLSA-N -1 0 317.386 -0.520 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001593787398 954723512 /nfs/dbraw/zinc/72/35/12/954723512.db2.gz GNQDKVIALCWOBR-VWYCJHECSA-N -1 0 306.384 -0.510 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593787471 954724411 /nfs/dbraw/zinc/72/44/11/954724411.db2.gz KYDOZFPUVJUSSR-SRVKXCTJSA-N -1 0 300.355 -0.297 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001593787611 954726494 /nfs/dbraw/zinc/72/64/94/954726494.db2.gz RTNVRDAJRXLKGR-SECBINFHSA-N -1 0 322.321 -0.835 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)C1 ZINC001594914515 954731282 /nfs/dbraw/zinc/73/12/82/954731282.db2.gz IDQRBNVIUFSYFD-FXAINCCUSA-N -1 0 319.317 -0.110 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)CCn1nc(C)oc1=O ZINC001589442698 954732807 /nfs/dbraw/zinc/73/28/07/954732807.db2.gz LUZIVJYMQVRMJJ-MRVPVSSYSA-N -1 0 307.328 -0.730 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([C@H]3CCOC3)C2)C1 ZINC001594914968 954737307 /nfs/dbraw/zinc/73/73/07/954737307.db2.gz BXEGFGUVQLDYPI-TUAOUCFPSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCn3cncc3C2)CC1 ZINC001594915024 954739251 /nfs/dbraw/zinc/73/92/51/954739251.db2.gz NPSIIMUMKZGTFW-UHFFFAOYSA-N -1 0 306.322 -0.452 20 0 DBADRM CNC(=O)[C@H](C)CN(C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593788334 954739643 /nfs/dbraw/zinc/73/96/43/954739643.db2.gz ATKPZKBSUHCLDL-ZJUUUORDSA-N -1 0 313.354 -0.850 20 0 DBADRM CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001593788380 954740629 /nfs/dbraw/zinc/74/06/29/954740629.db2.gz CXWUKPGDEBGCKD-CMPLNLGQSA-N -1 0 319.317 -0.311 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001593788452 954742944 /nfs/dbraw/zinc/74/29/44/954742944.db2.gz SNEPBGXJZJWMGV-QMMMGPOBSA-N -1 0 302.294 -0.057 20 0 DBADRM CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC001593789159 954750098 /nfs/dbraw/zinc/75/00/98/954750098.db2.gz PTQXSGJTOZVOJI-YMTOWFKASA-N -1 0 313.354 -0.850 20 0 DBADRM CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC001593789508 954752157 /nfs/dbraw/zinc/75/21/57/954752157.db2.gz WHEWMFPLZPUIHX-CQSZACIVSA-N -1 0 313.354 -0.658 20 0 DBADRM CNC(=O)C1(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001593789648 954753478 /nfs/dbraw/zinc/75/34/78/954753478.db2.gz ZUYZBYLSHDQHBF-SECBINFHSA-N -1 0 311.338 -0.906 20 0 DBADRM CNC(=O)CCCN(C)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001593791327 954758648 /nfs/dbraw/zinc/75/86/48/954758648.db2.gz YZUFOHIMYXPEIC-SNVBAGLBSA-N -1 0 313.354 -0.706 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)Nc2cccnc2C(=O)[O-])CCO1 ZINC001593791616 954759972 /nfs/dbraw/zinc/75/99/72/954759972.db2.gz GBUZWMNZEOGMNV-VIFPVBQESA-N -1 0 308.294 -0.242 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)C1 ZINC001594916638 954760467 /nfs/dbraw/zinc/76/04/67/954760467.db2.gz ORPPRSSXHLUMRW-HTQZYQBOSA-N -1 0 306.265 -0.852 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)Nc2cccnc2C(=O)[O-])CCO1 ZINC001593791615 954760461 /nfs/dbraw/zinc/76/04/61/954760461.db2.gz GBUZWMNZEOGMNV-SECBINFHSA-N -1 0 308.294 -0.242 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CCO1 ZINC001593792418 954768057 /nfs/dbraw/zinc/76/80/57/954768057.db2.gz ZKLJGFFRZYVPQN-JOAKQRRISA-N -1 0 308.290 -0.036 20 0 DBADRM CC[C@@H](C(=O)OC)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC001589446829 954771986 /nfs/dbraw/zinc/77/19/86/954771986.db2.gz DJGQNBCFPZCULN-WCBMZHEXSA-N -1 0 302.327 -0.377 20 0 DBADRM CNC(=O)COc1cccc(CNC(=O)[C@](C)(OC)C(=O)[O-])c1 ZINC001593792879 954771887 /nfs/dbraw/zinc/77/18/87/954771887.db2.gz GIIIFXPKDORQJA-HNNXBMFYSA-N -1 0 324.333 -0.083 20 0 DBADRM O=C([O-])[C@@H]1CCCN1Cc1cn(C[C@]2(O)CCCOC2)nn1 ZINC001594918074 954779330 /nfs/dbraw/zinc/77/93/30/954779330.db2.gz ZVCWTFXEGQJHAY-GXTWGEPZSA-N -1 0 310.354 -0.131 20 0 DBADRM CNC(=O)COc1cccc(CNC(=O)COCC(=O)[O-])c1 ZINC001593793826 954789677 /nfs/dbraw/zinc/78/96/77/954789677.db2.gz ZXYAFGVYFBQSGL-UHFFFAOYSA-N -1 0 310.306 -0.471 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)NC[C@]23COC(=O)N2CCOC3)C1 ZINC001594923799 954803470 /nfs/dbraw/zinc/80/34/70/954803470.db2.gz GKNCUSUCCOUJGB-ZANVPECISA-N -1 0 313.310 -0.676 20 0 DBADRM CC[C@](C)(O)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589451768 954805381 /nfs/dbraw/zinc/80/53/81/954805381.db2.gz UBPIRZMASJCUNX-NSHDSACASA-N -1 0 307.368 -0.457 20 0 DBADRM CNC(=O)NC(=O)[C@@H](C)OC(=O)C1(C(=O)[O-])CCSCC1 ZINC001593795434 954807614 /nfs/dbraw/zinc/80/76/14/954807614.db2.gz WNKXMXQDABKDKE-SSDOTTSWSA-N -1 0 318.351 -0.028 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)NCCCn2ccc(=O)[nH]c2=O)C1 ZINC001594924661 954808199 /nfs/dbraw/zinc/80/81/99/954808199.db2.gz KBHFCMLRUYWPIX-SECBINFHSA-N -1 0 310.310 -0.545 20 0 DBADRM CNC(=O)c1ccc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001593796856 954812242 /nfs/dbraw/zinc/81/22/42/954812242.db2.gz NBXQGAOUVIMVHP-SNVBAGLBSA-N -1 0 321.289 -0.717 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001593797305 954817194 /nfs/dbraw/zinc/81/71/94/954817194.db2.gz GGLZITUXMRGVRB-SKDRFNHKSA-N -1 0 320.367 -0.840 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(Cc2c(C(=O)[O-])cnn2C)C1 ZINC001593797446 954819120 /nfs/dbraw/zinc/81/91/20/954819120.db2.gz IKHODCYFVDJEPI-VIFPVBQESA-N -1 0 316.383 -0.368 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N(C)C[C@H](C)C(=O)[O-])CC1 ZINC001593798166 954828017 /nfs/dbraw/zinc/82/80/17/954828017.db2.gz MUUWRWNVXGYUBJ-VIFPVBQESA-N -1 0 321.399 -0.658 20 0 DBADRM CNS(=O)(=O)N1CCC(c2nc([C@@H](C)C(=O)[O-])no2)CC1 ZINC001593798181 954828454 /nfs/dbraw/zinc/82/84/54/954828454.db2.gz NDBMJQBWWXROPD-SSDOTTSWSA-N -1 0 318.355 -0.099 20 0 DBADRM CNS(=O)(=O)N1CCC(c2nc(CC(=O)[O-])no2)CC1 ZINC001593798300 954830670 /nfs/dbraw/zinc/83/06/70/954830670.db2.gz SKGIATRIEYRMHL-UHFFFAOYSA-N -1 0 304.328 -0.660 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001593798404 954833207 /nfs/dbraw/zinc/83/32/07/954833207.db2.gz WGGOVPSRJBLTQG-UHFFFAOYSA-N -1 0 316.339 -0.159 20 0 DBADRM CNS(=O)(=O)N1CCN(C(=O)NCCCCC(=O)[O-])CC1 ZINC001593798366 954833548 /nfs/dbraw/zinc/83/35/48/954833548.db2.gz VLXDMWJYLRYLJI-UHFFFAOYSA-N -1 0 322.387 -0.967 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(C)(C)C(=O)[O-])C1 ZINC001593798553 954836405 /nfs/dbraw/zinc/83/64/05/954836405.db2.gz YZEWYBSJPHUZHT-SECBINFHSA-N -1 0 306.384 -0.115 20 0 DBADRM CNS(=O)(=O)NCC(=O)NCc1ccccc1C(=O)[O-] ZINC001593798880 954841693 /nfs/dbraw/zinc/84/16/93/954841693.db2.gz FOUYWUWYPDQLPX-UHFFFAOYSA-N -1 0 301.324 -0.945 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(OC)[C@@H](C)C(=O)[O-])o1 ZINC001593799049 954844619 /nfs/dbraw/zinc/84/46/19/954844619.db2.gz NMJAIFZYCJUAFQ-LURJTMIESA-N -1 0 306.296 -0.336 20 0 DBADRM CC[C@H](C)[C@H](O)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589457835 954846090 /nfs/dbraw/zinc/84/60/90/954846090.db2.gz STKRQRJBITZPIF-GARJFASQSA-N -1 0 300.355 -0.167 20 0 DBADRM CC[C@H](C)[C@@H](O)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589457833 954846356 /nfs/dbraw/zinc/84/63/56/954846356.db2.gz STKRQRJBITZPIF-DCAQKATOSA-N -1 0 300.355 -0.167 20 0 DBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@@H](OC)C(=O)[O-])c1C ZINC001593801126 954848314 /nfs/dbraw/zinc/84/83/14/954848314.db2.gz DWZIYCUJQBWWDK-SNVBAGLBSA-N -1 0 316.335 -0.059 20 0 DBADRM CNS(=O)(=O)c1ccc(NC(=O)NCCC(=O)[O-])nc1 ZINC001593801120 954848424 /nfs/dbraw/zinc/84/84/24/954848424.db2.gz DPKYXHVBMKQIJP-UHFFFAOYSA-N -1 0 302.312 -0.414 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCn3ccnc32)CC1 ZINC001594935276 954853970 /nfs/dbraw/zinc/85/39/70/954853970.db2.gz LLPCHXXZFPUMNW-UHFFFAOYSA-N -1 0 300.340 -0.256 20 0 DBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC001589458835 954854752 /nfs/dbraw/zinc/85/47/52/954854752.db2.gz MYOHBQCUUCMNBB-LLVKDONJSA-N -1 0 311.382 -0.090 20 0 DBADRM Cc1cc(C)n2ncc(C(=O)NCC(=O)NCC(=O)[O-])c2n1 ZINC000386355673 972047713 /nfs/dbraw/zinc/04/77/13/972047713.db2.gz CFLJACQJEZHHBQ-UHFFFAOYSA-N -1 0 305.294 -0.723 20 0 DBADRM COC(=O)C(C)(C)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593804480 954884021 /nfs/dbraw/zinc/88/40/21/954884021.db2.gz UKUXLMRWUKPWDD-QMMMGPOBSA-N -1 0 300.311 -0.623 20 0 DBADRM O=C([O-])C1CCN(c2nnnn2CCCN2CCCC2=O)CC1 ZINC001594941055 954891310 /nfs/dbraw/zinc/89/13/10/954891310.db2.gz WBOKFVOGNUJGQD-UHFFFAOYSA-N -1 0 322.369 -0.013 20 0 DBADRM O=C([O-])C1CN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)C1 ZINC001594941565 954900772 /nfs/dbraw/zinc/90/07/72/954900772.db2.gz UFAXMBQXAVYXFG-QWHCGFSZSA-N -1 0 322.361 -0.029 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCC2N=NC(=O)N2C2CC2)CCO1 ZINC001594946792 954919719 /nfs/dbraw/zinc/91/97/19/954919719.db2.gz YZMZZMZQQLTGLE-QMMMGPOBSA-N -1 0 311.298 -0.686 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC001594947351 954922573 /nfs/dbraw/zinc/92/25/73/954922573.db2.gz NTQOUTSKKZXBQO-UWVGGRQHSA-N -1 0 320.367 -0.694 20 0 DBADRM COC(=O)[C@@H](CNC(=O)c1cn(CC(=O)[O-])nn1)CC(C)C ZINC001593809746 954922798 /nfs/dbraw/zinc/92/27/98/954922798.db2.gz AFFMDUQQGXGUGP-SECBINFHSA-N -1 0 312.326 -0.072 20 0 DBADRM COC(=O)[C@@H](COC1CCC1)N(C)C(=O)[C@@H](OC)C(=O)[O-] ZINC001593809818 954924084 /nfs/dbraw/zinc/92/40/84/954924084.db2.gz BYRWULWKYPQGSC-NXEZZACHSA-N -1 0 303.311 -0.345 20 0 DBADRM O=C([O-])C1CN(C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC001594947582 954926490 /nfs/dbraw/zinc/92/64/90/954926490.db2.gz CKMVUWDLXNNNMJ-UHFFFAOYSA-N -1 0 323.353 -0.236 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)CCO1 ZINC001594950891 954945091 /nfs/dbraw/zinc/94/50/91/954945091.db2.gz GJYILPRMSUZQRA-MWLCHTKSSA-N -1 0 310.310 -0.760 20 0 DBADRM O=C([O-])[C@H]1CN(CCn2cnc(Br)n2)CCO1 ZINC001594953584 954969885 /nfs/dbraw/zinc/96/98/85/954969885.db2.gz MMSPCMOJWUKIFU-SSDOTTSWSA-N -1 0 305.132 -0.174 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2CCOC[C@H]2C(=O)[O-])CC1 ZINC001593814628 954988410 /nfs/dbraw/zinc/98/84/10/954988410.db2.gz WECKBBVXOXZVEQ-QMMMGPOBSA-N -1 0 307.324 -0.945 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001594957284 954988934 /nfs/dbraw/zinc/98/89/34/954988934.db2.gz DRVVZJSDRNGGBF-VIFPVBQESA-N -1 0 304.266 -0.813 20 0 DBADRM COC(=O)[C@@]1(OC)CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001593814855 954992556 /nfs/dbraw/zinc/99/25/56/954992556.db2.gz WFJQXPTYPVSROS-VYUIOLGVSA-N -1 0 300.311 -0.177 20 0 DBADRM CCC(CC)(CNC(=O)C1(OC)CS(=O)(=O)C1)C(=O)[O-] ZINC001589487453 954993807 /nfs/dbraw/zinc/99/38/07/954993807.db2.gz BDTKORRGOVIMAG-UHFFFAOYSA-N -1 0 307.368 -0.193 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1COc2ccc(O)cc2O1 ZINC001594957906 954996124 /nfs/dbraw/zinc/99/61/24/954996124.db2.gz UUWNZAAUCJGAMO-JOYOIKCWSA-N -1 0 309.274 -0.156 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCc1cncnc1 ZINC001594959887 955004196 /nfs/dbraw/zinc/00/41/96/955004196.db2.gz INDRRNSGFUYQMM-SNVBAGLBSA-N -1 0 313.335 -0.881 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)OCC(F)(F)F ZINC001594959941 955004597 /nfs/dbraw/zinc/00/45/97/955004597.db2.gz KHLBLEHMQJUQGB-RXMQYKEDSA-N -1 0 305.230 -0.131 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCc1ccon1 ZINC001594959985 955005635 /nfs/dbraw/zinc/00/56/35/955005635.db2.gz LPZVBCXRPRZTLV-SECBINFHSA-N -1 0 302.308 -0.683 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCc1nccs1 ZINC001594960059 955007444 /nfs/dbraw/zinc/00/74/44/955007444.db2.gz NQOSNODYODKEKW-MRVPVSSYSA-N -1 0 318.376 -0.214 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001594960309 955009517 /nfs/dbraw/zinc/00/95/17/955009517.db2.gz VOPHCPAYHZKVJN-NQMVMOMDSA-N -1 0 313.335 -0.777 20 0 DBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1cc(C(=O)[O-])nn1C ZINC001593817147 955010629 /nfs/dbraw/zinc/01/06/29/955010629.db2.gz ZWLXAPYFKOWPHU-NXEZZACHSA-N -1 0 311.294 -0.743 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)c1cn(C)nn1)C[C@@H]2C(=O)[O-] ZINC001593818747 955012251 /nfs/dbraw/zinc/01/22/51/955012251.db2.gz AWNNAFHGOTVLQV-ZYTOWTHASA-N -1 0 322.321 -0.459 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnc2n[nH]cc2c1 ZINC001594961030 955016039 /nfs/dbraw/zinc/01/60/39/955016039.db2.gz HHFMVIGYKAOFAV-VIFPVBQESA-N -1 0 324.318 -0.718 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc2n[nH]cc2c1 ZINC001594961958 955020126 /nfs/dbraw/zinc/02/01/26/955020126.db2.gz OZDVMQVBICVABK-NSHDSACASA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@H](O)c1ccccn1 ZINC001594961877 955020813 /nfs/dbraw/zinc/02/08/13/955020813.db2.gz NSZUDOSFOXVZOX-QWRGUYRKSA-N -1 0 300.336 -0.701 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@@H]1CC2(CC2)C(=O)O1 ZINC001594962283 955022222 /nfs/dbraw/zinc/02/22/22/955022222.db2.gz QSNXNOCISDSGRW-IUCAKERBSA-N -1 0 303.336 -0.734 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccnc(F)c1F ZINC001594962407 955023784 /nfs/dbraw/zinc/02/37/84/955023784.db2.gz SAHMSSJOBOFYQG-ZETCQYMHSA-N -1 0 320.273 -0.316 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(CO)cc1 ZINC001594963236 955029330 /nfs/dbraw/zinc/02/93/30/955029330.db2.gz ZLTHEJARPGLJEH-NSHDSACASA-N -1 0 313.331 -0.497 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1nc(C(F)F)no1 ZINC001594964425 955037763 /nfs/dbraw/zinc/03/77/63/955037763.db2.gz FCLMTJQYAJMTDF-YFKPBYRVSA-N -1 0 311.266 -0.309 20 0 DBADRM Cn1nnc(Br)c1C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000386610717 972068283 /nfs/dbraw/zinc/06/82/83/972068283.db2.gz KGALTZYDXKVVHJ-RFZPGFLSSA-N -1 0 319.115 -0.762 20 0 DBADRM CCC(CC)(NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(N)=O ZINC001589509946 955044249 /nfs/dbraw/zinc/04/42/49/955044249.db2.gz BPVZVUHVWPWGLJ-SECBINFHSA-N -1 0 313.354 -0.530 20 0 DBADRM O=C([O-])C=Cc1cc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)co1 ZINC001594965898 955054133 /nfs/dbraw/zinc/05/41/33/955054133.db2.gz IDXMXRYRFDJKRO-SYBPUXJVSA-N -1 0 319.273 -0.246 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1nc(CC2CC2)no1 ZINC001594966288 955060133 /nfs/dbraw/zinc/06/01/33/955060133.db2.gz XUXCQCYRGVRKQM-SECBINFHSA-N -1 0 315.351 -0.294 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)NC1CCN(OC)CC1)C(=O)[O-] ZINC001589517467 955073095 /nfs/dbraw/zinc/07/30/95/955073095.db2.gz GLQFMCCUOIGQMM-VIFPVBQESA-N -1 0 301.343 -0.645 20 0 DBADRM CC[C@H](CNC(=O)C(=O)NC1CCN(OC)CC1)C(=O)[O-] ZINC001589517466 955073337 /nfs/dbraw/zinc/07/33/37/955073337.db2.gz GLQFMCCUOIGQMM-SECBINFHSA-N -1 0 301.343 -0.645 20 0 DBADRM O=C([O-])/C=C/c1cc(C(=O)NCC(=O)N2CCOCC2)co1 ZINC001594968706 955081668 /nfs/dbraw/zinc/08/16/68/955081668.db2.gz BGWRIIDDLQTYAC-OWOJBTEDSA-N -1 0 308.290 -0.034 20 0 DBADRM CC[C@H](CNC(=O)C(=O)NCCN1CCOC[C@H]1C)C(=O)[O-] ZINC001589518925 955083823 /nfs/dbraw/zinc/08/38/23/955083823.db2.gz OTBWIDZDOFPJFQ-GHMZBOCLSA-N -1 0 315.370 -0.950 20 0 DBADRM O=C([O-])C=Cc1cc(C(=O)NCCN2C(=O)CNC2=O)co1 ZINC001594968947 955084564 /nfs/dbraw/zinc/08/45/64/955084564.db2.gz CAMOBDBOEDPIHW-UPHRSURJSA-N -1 0 307.262 -0.341 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1)C(=O)[O-] ZINC001589519640 955088121 /nfs/dbraw/zinc/08/81/21/955088121.db2.gz UBPMALJOULUIQU-ZIBATOQPSA-N -1 0 312.366 -0.166 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N2CCC[C@H]2C(=O)[O-])C1=O ZINC001593827994 955119365 /nfs/dbraw/zinc/11/93/65/955119365.db2.gz CFBUXPRHMAAPMK-UWVGGRQHSA-N -1 0 312.322 -0.526 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)NCC(=O)[O-])Cc2ccccc21 ZINC001593828131 955121620 /nfs/dbraw/zinc/12/16/20/955121620.db2.gz NCDDUEKHWGIKMJ-GFCCVEGCSA-N -1 0 306.318 -0.040 20 0 DBADRM COC(=O)[C@H]1CN(CC2(O)CCC(C(=O)[O-])CC2)CCO1 ZINC001593828390 955124344 /nfs/dbraw/zinc/12/43/44/955124344.db2.gz OQCUXAFOCFPFKZ-IQLKVPPVSA-N -1 0 301.339 -0.134 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N(C)CCC(=O)[O-])C1=O ZINC001593828547 955127099 /nfs/dbraw/zinc/12/70/99/955127099.db2.gz KMIGFVXQRTXJDB-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC001593829358 955135724 /nfs/dbraw/zinc/13/57/24/955135724.db2.gz QGBIWIQTURWPLW-PTRXPTGYSA-N -1 0 323.367 -0.527 20 0 DBADRM COC(=O)[C@@H]1CCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001593829382 955136320 /nfs/dbraw/zinc/13/63/20/955136320.db2.gz WEJBHNZFSCGQMG-VIFPVBQESA-N -1 0 306.340 -0.725 20 0 DBADRM COC(=O)[C@H]1CCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001593829381 955136610 /nfs/dbraw/zinc/13/66/10/955136610.db2.gz WEJBHNZFSCGQMG-SECBINFHSA-N -1 0 306.340 -0.725 20 0 DBADRM CC[C@@H](CNC(=O)N1CCN(c2nncn2C)CC1)C(=O)[O-] ZINC001589528341 955136868 /nfs/dbraw/zinc/13/68/68/955136868.db2.gz IPCLBNPSXJBJTN-JTQLQIEISA-N -1 0 310.358 -0.243 20 0 DBADRM COC(=O)C[C@@](C)(NCC(=O)NCC(=O)[O-])c1ccncc1 ZINC001593831432 955153600 /nfs/dbraw/zinc/15/36/00/955153600.db2.gz ANQMFFVKRXWTHP-CQSZACIVSA-N -1 0 309.322 -0.350 20 0 DBADRM CC[C@H](CNC(=O)NCC1(O)CCS(=O)(=O)CC1)C(=O)[O-] ZINC001589535061 955154963 /nfs/dbraw/zinc/15/49/63/955154963.db2.gz MNGOJLQVTSLUCI-SECBINFHSA-N -1 0 322.383 -0.664 20 0 DBADRM COC(=O)C[C@](C)(NC(=O)c1cn(CC(=O)[O-])nn1)C1CC1 ZINC001593831928 955159919 /nfs/dbraw/zinc/15/99/19/955159919.db2.gz OZGCYKSACKHZKD-ZDUSSCGKSA-N -1 0 310.310 -0.176 20 0 DBADRM COC(=O)CC1(CNC(=O)[C@@](C)(OC)C(=O)[O-])CCOCC1 ZINC001593832695 955166918 /nfs/dbraw/zinc/16/69/18/955166918.db2.gz GIWRRWFBXVPLHD-CYBMUJFWSA-N -1 0 317.338 -0.048 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N3CCC(O)(C(=O)[O-])CC3)nc2n1 ZINC000386698804 972074325 /nfs/dbraw/zinc/07/43/25/972074325.db2.gz UIHSEJGNGPTVFX-UHFFFAOYSA-N -1 0 319.321 -0.207 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001593833240 955171007 /nfs/dbraw/zinc/17/10/07/955171007.db2.gz SACHRMPTBKOMBJ-JTQLQIEISA-N -1 0 324.289 -0.637 20 0 DBADRM COC(=O)CCCN(C)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593834436 955175993 /nfs/dbraw/zinc/17/59/93/955175993.db2.gz OICRAWPVBJWHOQ-UHFFFAOYSA-N -1 0 310.306 -0.042 20 0 DBADRM CC[C@@H](CNC(=O)NCc1cn(CC)c(=O)[nH]c1=O)C(=O)[O-] ZINC001589539410 955190316 /nfs/dbraw/zinc/19/03/16/955190316.db2.gz STHDELDTYFPPIR-QMMMGPOBSA-N -1 0 312.326 -0.121 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)[C@H]2CCCN2c2ncccn2)CC1 ZINC000386715562 972075557 /nfs/dbraw/zinc/07/55/57/972075557.db2.gz YFGBLMDOOXRAMT-LLVKDONJSA-N -1 0 320.349 -0.117 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC000386802698 972081735 /nfs/dbraw/zinc/08/17/35/972081735.db2.gz ONNUQSAHQSXKFQ-AWEZNQCLSA-N -1 0 303.274 -0.003 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001593836070 955312995 /nfs/dbraw/zinc/31/29/95/955312995.db2.gz PZFOFPOEOUTJGY-MRVPVSSYSA-N -1 0 314.294 -1.000 20 0 DBADRM COC(=O)CCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593836722 955319577 /nfs/dbraw/zinc/31/95/77/955319577.db2.gz HTXXEXFKKNEDOJ-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)CN(C)C(=O)C1CC1 ZINC001593839840 955349641 /nfs/dbraw/zinc/34/96/41/955349641.db2.gz YXNYTKINDKBZLV-UHFFFAOYSA-N -1 0 300.311 -0.669 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC001594505700 955353193 /nfs/dbraw/zinc/35/31/93/955353193.db2.gz GFURFUSLKNMDIO-QMMMGPOBSA-N -1 0 302.308 -0.075 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1cnc2n1CCOC2 ZINC001593840419 955356253 /nfs/dbraw/zinc/35/62/53/955356253.db2.gz XOTHIEJSDBSXDT-UHFFFAOYSA-N -1 0 311.294 -0.497 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])[C@H](C)C(=O)Nc1ncccn1 ZINC001593840668 955356372 /nfs/dbraw/zinc/35/63/72/955356372.db2.gz ALSLHCVYJCJAFV-SECBINFHSA-N -1 0 310.310 -0.247 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])CN1C(=O)CC2(CCC2)C1=O ZINC001593840744 955357904 /nfs/dbraw/zinc/35/79/04/955357904.db2.gz FEPFMBGTSCXBFA-UHFFFAOYSA-N -1 0 312.322 -0.177 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])CC(=O)N1CCOC(C)(C)C1 ZINC001593840695 955359160 /nfs/dbraw/zinc/35/91/60/955359160.db2.gz BJHGXYRIROLZEO-UHFFFAOYSA-N -1 0 316.354 -0.427 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])CC(=O)NCc1ccccn1 ZINC001593841062 955361743 /nfs/dbraw/zinc/36/17/43/955361743.db2.gz MZPPWHGHOXXYPD-UHFFFAOYSA-N -1 0 309.322 -0.353 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])CN1CC2(COC2)CC1=O ZINC001593841460 955368459 /nfs/dbraw/zinc/36/84/59/955368459.db2.gz ZXZQGUQOWAIXJU-UHFFFAOYSA-N -1 0 300.311 -0.858 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)[C@@H]1CCOC[C@H]1C ZINC001593841620 955370856 /nfs/dbraw/zinc/37/08/56/955370856.db2.gz FCFAUMJGAULTAO-NXEZZACHSA-N -1 0 323.367 -0.309 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)CC(C)(C)OC ZINC001593841725 955373395 /nfs/dbraw/zinc/37/33/95/955373395.db2.gz JZDSVTXFAACSEG-UHFFFAOYSA-N -1 0 311.356 -0.309 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)c1ccn(C)n1 ZINC001593843047 955377816 /nfs/dbraw/zinc/37/78/16/955377816.db2.gz ASJDRDQXHVWGAL-UHFFFAOYSA-N -1 0 305.312 -0.942 20 0 DBADRM Cc1oncc1CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594510349 955381630 /nfs/dbraw/zinc/38/16/30/955381630.db2.gz RAYVUIMQJAUQQQ-UHFFFAOYSA-N -1 0 316.335 -0.121 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@@H](C)N1CCN(C)CC1)C(=O)[O-] ZINC001593846319 955418090 /nfs/dbraw/zinc/41/80/90/955418090.db2.gz QGAREDHXPRLYFK-MNOVXSKESA-N -1 0 315.370 -0.855 20 0 DBADRM COC(=O)CC[C@H](NC(=O)C[C@H]1CCCS1(=O)=O)C(=O)[O-] ZINC001593846574 955422415 /nfs/dbraw/zinc/42/24/15/955422415.db2.gz VEKIMTAVYMGMPD-BDAKNGLRSA-N -1 0 321.351 -0.524 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1ccc(C(N)=O)cn1)C(=O)[O-] ZINC001593847267 955430525 /nfs/dbraw/zinc/43/05/25/955430525.db2.gz JIVOTHGPPTUBSZ-VIFPVBQESA-N -1 0 309.278 -0.683 20 0 DBADRM Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001594518224 955437451 /nfs/dbraw/zinc/43/74/51/955437451.db2.gz QYPQXBNPSORIBI-DTWKUNHWSA-N -1 0 314.367 -0.372 20 0 DBADRM Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001594518223 955437467 /nfs/dbraw/zinc/43/74/67/955437467.db2.gz QYPQXBNPSORIBI-BDAKNGLRSA-N -1 0 314.367 -0.372 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1noc2c1COCC2)C(=O)[O-] ZINC001593848842 955440554 /nfs/dbraw/zinc/44/05/54/955440554.db2.gz UKOBRBULQBZJNH-QMMMGPOBSA-N -1 0 312.278 -0.117 20 0 DBADRM Cn1c(Cl)cnc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594520181 955452458 /nfs/dbraw/zinc/45/24/58/955452458.db2.gz OCVJYEWKDKYNDC-SSDOTTSWSA-N -1 0 307.759 -0.243 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)c1cnc(C(=O)[O-])cn1 ZINC001593850854 955455834 /nfs/dbraw/zinc/45/58/34/955455834.db2.gz SVFHDDFVPAVGDQ-ZCFIWIBFSA-N -1 0 311.250 -0.991 20 0 DBADRM COC(=O)COCCNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001593851154 955458706 /nfs/dbraw/zinc/45/87/06/955458706.db2.gz CDSJNRBLQKXMLU-NXEZZACHSA-N -1 0 302.327 -0.072 20 0 DBADRM COC(=O)COCCNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001593851157 955459040 /nfs/dbraw/zinc/45/90/40/955459040.db2.gz CDSJNRBLQKXMLU-ZJUUUORDSA-N -1 0 302.327 -0.072 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@@H](n2cncn2)C1)C(=O)[O-] ZINC001589020723 955467515 /nfs/dbraw/zinc/46/75/15/955467515.db2.gz VKNIRCQUSBRXNQ-NXEZZACHSA-N -1 0 309.326 -0.769 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@H](n2cncn2)C1)C(=O)[O-] ZINC001589020726 955468811 /nfs/dbraw/zinc/46/88/11/955468811.db2.gz VKNIRCQUSBRXNQ-ZJUUUORDSA-N -1 0 309.326 -0.769 20 0 DBADRM Cn1cc(Br)c(C(=O)OCC(=O)C(=O)[O-])cc1=O ZINC001594523927 955485104 /nfs/dbraw/zinc/48/51/04/955485104.db2.gz IPVOYNARHGVUDH-UHFFFAOYSA-N -1 0 318.079 -0.042 20 0 DBADRM C[C@H](CN(C)C(=O)NCCCn1ccc(=O)[nH]c1=O)C(=O)[O-] ZINC001589023205 955489754 /nfs/dbraw/zinc/48/97/54/955489754.db2.gz DAJPNUPKWHESJA-SECBINFHSA-N -1 0 312.326 -0.299 20 0 DBADRM C[C@@H](CN(C)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001589023499 955493285 /nfs/dbraw/zinc/49/32/85/955493285.db2.gz LIAPYCMYJHOPET-VHSXEESVSA-N -1 0 321.399 -0.370 20 0 DBADRM C[C@@H](CN(C)C(=O)NCC(C)(C)CS(N)(=O)=O)C(=O)[O-] ZINC001589023861 955496166 /nfs/dbraw/zinc/49/61/66/955496166.db2.gz VETWQLQORSYKOX-QMMMGPOBSA-N -1 0 309.388 -0.337 20 0 DBADRM COC(=O)N(C)CCNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593855787 955499727 /nfs/dbraw/zinc/49/97/27/955499727.db2.gz KKFIEYAAJQROMR-UHFFFAOYSA-N -1 0 324.293 -0.467 20 0 DBADRM COC(=O)N(C)CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593856125 955504750 /nfs/dbraw/zinc/50/47/50/955504750.db2.gz YTGDEAZDXPBKQK-ZANVPECISA-N -1 0 315.326 -0.573 20 0 DBADRM Cn1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])n(C)c1=O ZINC001594527070 955508654 /nfs/dbraw/zinc/50/86/54/955508654.db2.gz SYKVPLIOMSFDMR-JTQLQIEISA-N -1 0 304.306 -0.456 20 0 DBADRM Cn1cc(C(=O)Nc2cccnc2C(=O)[O-])c(=O)n(C)c1=O ZINC001594530377 955525123 /nfs/dbraw/zinc/52/51/23/955525123.db2.gz PQUQIOHXDWCNCD-UHFFFAOYSA-N -1 0 304.262 -0.571 20 0 DBADRM COC(=O)NCCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593858799 955525386 /nfs/dbraw/zinc/52/53/86/955525386.db2.gz ZZYULOUJHXEXEQ-SECBINFHSA-N -1 0 315.326 -0.686 20 0 DBADRM Cn1cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c(=O)n(C)c1=O ZINC001594530357 955525554 /nfs/dbraw/zinc/52/55/54/955525554.db2.gz OWAYLJVYBMCPJZ-UHFFFAOYSA-N -1 0 304.262 -0.571 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C[C@H]1C1CC1 ZINC001593860749 955537909 /nfs/dbraw/zinc/53/79/09/955537909.db2.gz IBIXZVUOMXAWQD-NGZCFLSTSA-N -1 0 310.306 -0.127 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])O1 ZINC001593861529 955552283 /nfs/dbraw/zinc/55/22/83/955552283.db2.gz XOYVFMTWFJZZBA-UTUOFQBUSA-N -1 0 322.317 -0.086 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CCO[C@H](C(=O)[O-])C2)C[C@H]1C ZINC001593862512 955555389 /nfs/dbraw/zinc/55/53/89/955555389.db2.gz JZOPCKHDRZTVIG-DOLQZWNJSA-N -1 0 301.295 -0.735 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1)C(=O)[O-] ZINC001589037085 955557705 /nfs/dbraw/zinc/55/77/05/955557705.db2.gz VCJUMQWSMTVPDW-JGVFFNPUSA-N -1 0 307.297 -0.721 20 0 DBADRM C[C@@H](CN(C)c1nnnn1CC[C@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC001589038278 955567113 /nfs/dbraw/zinc/56/71/13/955567113.db2.gz NFJIFEDEBJLPHL-UWVGGRQHSA-N -1 0 310.358 -0.302 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593866228 955579462 /nfs/dbraw/zinc/57/94/62/955579462.db2.gz FVLLFNYOWOUQLB-KNVOCYPGSA-N -1 0 317.323 -0.354 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](NC(=O)[C@H]3CC(C(=O)[O-])=NO3)CCO2)cn1 ZINC001594536941 955584434 /nfs/dbraw/zinc/58/44/34/955584434.db2.gz HDFVSWJWAVKVKI-ZMLRMANQSA-N -1 0 322.321 -0.014 20 0 DBADRM COC(=O)[C@]12C[C@H]1CCCN2CCS(=O)(=O)CC(=O)[O-] ZINC001593866969 955588575 /nfs/dbraw/zinc/58/85/75/955588575.db2.gz UPIWLBXRROIGHO-SKDRFNHKSA-N -1 0 305.352 -0.487 20 0 DBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)Cn3cncn3)C2)cn1 ZINC001594538062 955596515 /nfs/dbraw/zinc/59/65/15/955596515.db2.gz DQLYBNIUKJXZCL-QWRGUYRKSA-N -1 0 318.337 -0.272 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ncon1 ZINC001589043908 955603386 /nfs/dbraw/zinc/60/33/86/955603386.db2.gz BEONULRLYDGHQT-DTWKUNHWSA-N -1 0 310.310 -0.388 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ncon1 ZINC001589043910 955604092 /nfs/dbraw/zinc/60/40/92/955604092.db2.gz BEONULRLYDGHQT-RKDXNWHRSA-N -1 0 310.310 -0.388 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])s2)CC(=O)N1 ZINC000387229254 972111821 /nfs/dbraw/zinc/11/18/21/972111821.db2.gz IDIDCGJNHWSLBS-LURJTMIESA-N -1 0 304.349 -0.045 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)S(C)(=O)=O ZINC001589044965 955619487 /nfs/dbraw/zinc/61/94/87/955619487.db2.gz PRICJOOQTVYGMD-KXUCPTDWSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)Cn1cccn1 ZINC001589045071 955621383 /nfs/dbraw/zinc/62/13/83/955621383.db2.gz SMISPCAQDLROEY-VXGBXAGGSA-N -1 0 322.365 -0.041 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)Cn1cccn1 ZINC001589045070 955621434 /nfs/dbraw/zinc/62/14/34/955621434.db2.gz SMISPCAQDLROEY-RYUDHWBXSA-N -1 0 322.365 -0.041 20 0 DBADRM C[C@@H](CNC(=O)N1CCN(CC(=O)N(C)C)CC1)C(=O)[O-] ZINC001589049508 955645423 /nfs/dbraw/zinc/64/54/23/955645423.db2.gz CUIXVLVGTNMKSX-JTQLQIEISA-N -1 0 300.359 -0.878 20 0 DBADRM COCCn1nc(C(=O)N2CCC[C@@H]2CC(=O)[O-])ccc1=O ZINC000387293417 972115835 /nfs/dbraw/zinc/11/58/35/972115835.db2.gz OUEFCLRLHWZZFV-SNVBAGLBSA-N -1 0 309.322 -0.031 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)n(C)c1 ZINC001593875224 955658643 /nfs/dbraw/zinc/65/86/43/955658643.db2.gz BPDCFHZOUWQUAY-MRVPVSSYSA-N -1 0 316.335 -0.093 20 0 DBADRM Cn1cc(CCCn2nnnc2N2CC[C@H](C(=O)[O-])C2)cn1 ZINC001594541735 955659802 /nfs/dbraw/zinc/65/98/02/955659802.db2.gz KUQGCGXJGOWLSY-NSHDSACASA-N -1 0 305.342 -0.050 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)C[C@H](C)C(=O)[O-])n[nH]1 ZINC001593875299 955660412 /nfs/dbraw/zinc/66/04/12/955660412.db2.gz GZXOWBFFRVMOIK-LURJTMIESA-N -1 0 305.312 -0.463 20 0 DBADRM Cn1cc(CCNC(=O)c2cccn(CC(=O)[O-])c2=O)cn1 ZINC001594542632 955665684 /nfs/dbraw/zinc/66/56/84/955665684.db2.gz DVVZXMVMTXIYCX-UHFFFAOYSA-N -1 0 304.306 -0.361 20 0 DBADRM Cn1cc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(Cl)n1 ZINC001594542875 955667161 /nfs/dbraw/zinc/66/71/61/955667161.db2.gz NVMBJACPKFNDIR-QMMMGPOBSA-N -1 0 307.759 -0.243 20 0 DBADRM COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)COCC(=O)[O-] ZINC001593875935 955670079 /nfs/dbraw/zinc/67/00/79/955670079.db2.gz LUIITHFINDYUDB-MRVPVSSYSA-N -1 0 311.294 -0.278 20 0 DBADRM C[C@@H](CNC(=O)NCCC(=O)N1CCN(C)CC1)C(=O)[O-] ZINC001589053685 955679688 /nfs/dbraw/zinc/67/96/88/955679688.db2.gz KQEQCHHIBIMUQG-JTQLQIEISA-N -1 0 300.359 -0.830 20 0 DBADRM C[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)[O-] ZINC001589055841 955692102 /nfs/dbraw/zinc/69/21/02/955692102.db2.gz CITZAMOIZWTVDE-OPRDCNLKSA-N -1 0 321.399 -0.133 20 0 DBADRM COC(=O)c1ccc(CC(=O)N2CCOC[C@H]2C(=O)[O-])cn1 ZINC001593877644 955692343 /nfs/dbraw/zinc/69/23/43/955692343.db2.gz XUNHGWMHARRGFD-NSHDSACASA-N -1 0 308.290 -0.277 20 0 DBADRM Cn1ccc([C@@H]2NC(=O)N(CC3(C(=O)[O-])CCOCC3)C2=O)n1 ZINC001594549801 955715610 /nfs/dbraw/zinc/71/56/10/955715610.db2.gz SNCLRNCXKPOYOD-JTQLQIEISA-N -1 0 322.321 -0.106 20 0 DBADRM C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1F)C(=O)[O-] ZINC001589062780 955726685 /nfs/dbraw/zinc/72/66/85/955726685.db2.gz MLURFJKIZGEDDA-ZCFIWIBFSA-N -1 0 304.299 -0.076 20 0 DBADRM Cn1cccc1[C@@H]1COCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001594551412 955727465 /nfs/dbraw/zinc/72/74/65/955727465.db2.gz CXTIIDDDSCLQKD-LBPRGKRZSA-N -1 0 316.379 -0.102 20 0 DBADRM Cn1ccn2c(CNC(=O)NCCCC(=O)[O-])nnc2c1=O ZINC001594551402 955727766 /nfs/dbraw/zinc/72/77/66/955727766.db2.gz CQZZYLZQKNPVAD-UHFFFAOYSA-N -1 0 308.298 -0.908 20 0 DBADRM Cn1ccnc(NC(=O)NCCOCCOCC(=O)[O-])c1=O ZINC001594551689 955733815 /nfs/dbraw/zinc/73/38/15/955733815.db2.gz RUZAARSRDBXQQO-UHFFFAOYSA-N -1 0 314.298 -0.980 20 0 DBADRM Cn1ccnc1CNC(=O)NCCOCCOCC(=O)[O-] ZINC001594556073 955761058 /nfs/dbraw/zinc/76/10/58/955761058.db2.gz STGUCDKYPATGKM-UHFFFAOYSA-N -1 0 300.315 -0.663 20 0 DBADRM Cn1cnc2c1nccc2C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001594557297 955771503 /nfs/dbraw/zinc/77/15/03/955771503.db2.gz CXULUOQEWXYCDP-SECBINFHSA-N -1 0 318.289 -0.189 20 0 DBADRM COC(=O)c1cn(CCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)nn1 ZINC001593890544 955774126 /nfs/dbraw/zinc/77/41/26/955774126.db2.gz HGBUFGOHYJIZPR-DTWKUNHWSA-N -1 0 310.310 -0.318 20 0 DBADRM Cn1cnc2cc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])ccc21 ZINC001594557778 955780210 /nfs/dbraw/zinc/78/02/10/955780210.db2.gz XVURYQOWOGIMDX-GFCCVEGCSA-N -1 0 313.335 -0.313 20 0 DBADRM Cn1cnc(CCNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)c1 ZINC001594557883 955782349 /nfs/dbraw/zinc/78/23/49/955782349.db2.gz OXFZTRREFQHRSM-LLVKDONJSA-N -1 0 308.338 -0.598 20 0 DBADRM COC(=O)c1cn(CCNC(=O)N(C)C[C@H](C)C(=O)[O-])nn1 ZINC001593891539 955787620 /nfs/dbraw/zinc/78/76/20/955787620.db2.gz YVQFCNCCPRRPLO-QMMMGPOBSA-N -1 0 313.314 -0.573 20 0 DBADRM COC(=O)c1cnn(CC(=O)Nc2ccn(CC(=O)[O-])n2)c1 ZINC001593893742 955804675 /nfs/dbraw/zinc/80/46/75/955804675.db2.gz BTKIZTVGGGLWOT-UHFFFAOYSA-N -1 0 307.266 -0.411 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC(N2CCNC2=O)CC1 ZINC001594563352 955813726 /nfs/dbraw/zinc/81/37/26/955813726.db2.gz CEOOFVXIXMQXNS-UHFFFAOYSA-N -1 0 321.337 -0.252 20 0 DBADRM COC(=O)c1nc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cs1 ZINC001593895512 955821311 /nfs/dbraw/zinc/82/13/11/955821311.db2.gz QKZIZGOMYJPBNI-LLVKDONJSA-N -1 0 300.292 -0.097 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC001594564140 955821925 /nfs/dbraw/zinc/82/19/25/955821925.db2.gz NGMMUGRIQBYWSO-UHFFFAOYSA-N -1 0 317.305 -0.590 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC([C@H](F)C(N)=O)CC1 ZINC001594564549 955827440 /nfs/dbraw/zinc/82/74/40/955827440.db2.gz YYGNMHLYENFWQA-JTQLQIEISA-N -1 0 312.301 -0.206 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@@H](CO)[C@@H](O)c1cccnc1 ZINC001594564860 955831779 /nfs/dbraw/zinc/83/17/79/955831779.db2.gz INPSHZJYAMIJJY-JQWIXIFHSA-N -1 0 320.305 -0.662 20 0 DBADRM C[C@H](C[S@](C)=O)N(C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589077230 955832354 /nfs/dbraw/zinc/83/23/54/955832354.db2.gz RPGWHSFSBNXZEA-ULQSSITMSA-N -1 0 318.395 -0.465 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001594565540 955841231 /nfs/dbraw/zinc/84/12/31/955841231.db2.gz GTXLUXZCRAVXEH-SSDOTTSWSA-N -1 0 301.324 -0.717 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCc1nc(C(N)=O)cs1 ZINC001594567681 955852265 /nfs/dbraw/zinc/85/22/65/955852265.db2.gz CQIWZOZJYWMTEJ-UHFFFAOYSA-N -1 0 309.307 -0.396 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001593900203 955860359 /nfs/dbraw/zinc/86/03/59/955860359.db2.gz BRTNFWKZGIZGQA-RKDXNWHRSA-N -1 0 320.342 -0.570 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589081622 955861265 /nfs/dbraw/zinc/86/12/65/955861265.db2.gz WNOYFOCOFUZHKS-WDEREUQCSA-N -1 0 308.338 -0.289 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N(C)Cc1ccccc1S(N)(=O)=O ZINC001593900610 955864439 /nfs/dbraw/zinc/86/44/39/955864439.db2.gz JTBOZQVVXAUDIL-SNVBAGLBSA-N -1 0 316.335 -0.608 20 0 DBADRM COC[C@@H]1CCN(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC000387712574 972134492 /nfs/dbraw/zinc/13/44/92/972134492.db2.gz OPURBEMEGMSLAN-SECBINFHSA-N -1 0 309.326 -0.079 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)Nc1ccn(CCC(N)=O)n1 ZINC001594570552 955872897 /nfs/dbraw/zinc/87/28/97/955872897.db2.gz VRTSNJWVWFGXKT-UHFFFAOYSA-N -1 0 306.282 -0.558 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001593901863 955876852 /nfs/dbraw/zinc/87/68/52/955876852.db2.gz GUGZHGAAVKSEOL-NKWVEPMBSA-N -1 0 312.244 -0.387 20 0 DBADRM C[C@H](Cc1cnn(C)c1)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589083627 955882248 /nfs/dbraw/zinc/88/22/48/955882248.db2.gz OLDBOXZICNMIKL-KOLCDFICSA-N -1 0 316.383 -0.266 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CCC(C(=O)NCCO)CC1 ZINC001594571639 955886445 /nfs/dbraw/zinc/88/64/45/955886445.db2.gz AOEBZFWVDYBQOU-UHFFFAOYSA-N -1 0 310.354 -0.561 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1 ZINC001593904263 955892948 /nfs/dbraw/zinc/89/29/48/955892948.db2.gz DKJPWXZQXVAUHY-SECBINFHSA-N -1 0 311.342 -0.324 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001593904269 955893928 /nfs/dbraw/zinc/89/39/28/955893928.db2.gz DMWHQQDIGPUYAD-JTQLQIEISA-N -1 0 320.367 -0.888 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001594572128 955900418 /nfs/dbraw/zinc/90/04/18/955900418.db2.gz VDBORMVRQLGUQZ-ZDUSSCGKSA-N -1 0 322.365 -0.059 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CCC2(CC1)NC(=O)NC2=O ZINC001594572182 955902038 /nfs/dbraw/zinc/90/20/38/955902038.db2.gz XJCGVECRVUUKHG-UHFFFAOYSA-N -1 0 307.310 -0.708 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001593904997 955902943 /nfs/dbraw/zinc/90/29/43/955902943.db2.gz MPTVBEKQMBXRED-SKDRFNHKSA-N -1 0 305.352 -0.487 20 0 DBADRM C[C@@H](NC(=O)C(=O)NCCCCC(=O)[O-])[C@H]1CN(C)CCO1 ZINC001589086664 955906741 /nfs/dbraw/zinc/90/67/41/955906741.db2.gz RIKZEUUIWBPQGW-GHMZBOCLSA-N -1 0 315.370 -0.807 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(c2nc(C)cc(=O)[nH]2)CC1 ZINC001593905452 955906731 /nfs/dbraw/zinc/90/67/31/955906731.db2.gz ICLJMDQZDAZKPF-SNVBAGLBSA-N -1 0 310.310 -0.761 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC001593906017 955913839 /nfs/dbraw/zinc/91/38/39/955913839.db2.gz WSCQMUOBXMROHG-QWRGUYRKSA-N -1 0 324.337 -0.760 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001589088412 955918591 /nfs/dbraw/zinc/91/85/91/955918591.db2.gz UUIXHFNGCZFNHV-RKDXNWHRSA-N -1 0 314.338 -0.234 20 0 DBADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)C(=O)NCC(F)(F)F ZINC001589090512 955931077 /nfs/dbraw/zinc/93/10/77/955931077.db2.gz DNCFCADNCZJXKI-QUBYGPBYSA-N -1 0 312.244 -0.197 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@H]1CCc2c(nc(C)n2CCO)C1 ZINC001593907015 955931479 /nfs/dbraw/zinc/93/14/79/955931479.db2.gz OIXRQKPLWDILHQ-JOYOIKCWSA-N -1 0 311.338 -0.743 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001593907248 955935490 /nfs/dbraw/zinc/93/54/90/955935490.db2.gz UKQOWLBIQIIAHB-QMMMGPOBSA-N -1 0 318.326 -0.816 20 0 DBADRM Cn1nc2c(c1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])CCCC2 ZINC001594578484 955942086 /nfs/dbraw/zinc/94/20/86/955942086.db2.gz RKNKGLIRBMQHGN-GFCCVEGCSA-N -1 0 317.367 -0.587 20 0 DBADRM Cn1nc2c(c1S(=O)(=O)NC[C@](C)(O)C(=O)[O-])CCCC2 ZINC001594578485 955942261 /nfs/dbraw/zinc/94/22/61/955942261.db2.gz RKNKGLIRBMQHGN-LBPRGKRZSA-N -1 0 317.367 -0.587 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1nccn1C ZINC001589091600 955944243 /nfs/dbraw/zinc/94/42/43/955944243.db2.gz DWGIKILCTTYFKO-ZJUUUORDSA-N -1 0 308.338 -0.080 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCCc1ccccc1S(C)(=O)=O ZINC001593907765 955944969 /nfs/dbraw/zinc/94/49/69/955944969.db2.gz OIZHRPJLPUGFFN-LLVKDONJSA-N -1 0 315.347 -0.152 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@H](O)C(=O)OCc1ccccc1 ZINC001593907841 955945708 /nfs/dbraw/zinc/94/57/08/955945708.db2.gz AAMPKWWKVVGQGS-QWRGUYRKSA-N -1 0 311.290 -0.694 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCCN1C(=O)COc2ccccc21 ZINC001593908122 955947913 /nfs/dbraw/zinc/94/79/13/955947913.db2.gz SQDLDECHVCLSGI-GFCCVEGCSA-N -1 0 308.290 -0.372 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ccnn1C ZINC001589091797 955949289 /nfs/dbraw/zinc/94/92/89/955949289.db2.gz HRUQSZVISDREMZ-VHSXEESVSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@H]([C@H](C)NC(=O)[C@@]1(C(=O)[O-])CCCO1)N1CCOCC1 ZINC001589092142 955954929 /nfs/dbraw/zinc/95/49/29/955954929.db2.gz ZWXFFYACTGTBEP-MISXGVKJSA-N -1 0 300.355 -0.154 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1cnc(N2CCOCC2)s1 ZINC001593909137 955956726 /nfs/dbraw/zinc/95/67/26/955956726.db2.gz QAZNJACVLUGUPH-VIFPVBQESA-N -1 0 315.351 -0.305 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC001593910976 955964010 /nfs/dbraw/zinc/96/40/10/955964010.db2.gz DNTZFPKOZKTRSU-UTUOFQBUSA-N -1 0 312.366 -0.154 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1c(C(N)=O)c(SC)nn1C ZINC001593911429 955967705 /nfs/dbraw/zinc/96/77/05/955967705.db2.gz LAFOWXCYZUKWSJ-RXMQYKEDSA-N -1 0 302.312 -0.721 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)nn1 ZINC000387785086 972139329 /nfs/dbraw/zinc/13/93/29/972139329.db2.gz JLCBIIVTKFICBI-UHFFFAOYSA-N -1 0 306.238 -0.090 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001593911925 955973775 /nfs/dbraw/zinc/97/37/75/955973775.db2.gz UKROXJWLLUHTNW-VGMNWLOBSA-N -1 0 318.326 -0.818 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001593912190 955976339 /nfs/dbraw/zinc/97/63/39/955976339.db2.gz ZKZMZPOINBTTFT-OIBJUYFYSA-N -1 0 316.335 -0.389 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1cccc(CN2CCOCC2)n1 ZINC001593912577 955981426 /nfs/dbraw/zinc/98/14/26/955981426.db2.gz ATOPXMMZXORLPQ-LBPRGKRZSA-N -1 0 309.322 -0.048 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC001593912680 955983317 /nfs/dbraw/zinc/98/33/17/955983317.db2.gz LNBUYHQEDXNEPR-CABZTGNLSA-N -1 0 320.301 -0.070 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1cccc(CS(N)(=O)=O)c1 ZINC001593912638 955983465 /nfs/dbraw/zinc/98/34/65/955983465.db2.gz BULDWWDDQBOKGB-VIFPVBQESA-N -1 0 302.308 -0.487 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc2c(c1)n(C)c(=O)n(C)c2=O ZINC001593913550 955997890 /nfs/dbraw/zinc/99/78/90/955997890.db2.gz QKXBVJXYSFUTAS-SNVBAGLBSA-N -1 0 321.289 -0.725 20 0 DBADRM Cn1ncc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)cc1=O ZINC001594586329 955999986 /nfs/dbraw/zinc/99/99/86/955999986.db2.gz IHJAKNWRWCVHTL-SECBINFHSA-N -1 0 308.294 -0.958 20 0 DBADRM Cn1ncc(Cn2cc(CN3CCCC[C@H]3C(=O)[O-])nn2)n1 ZINC001594587090 956008460 /nfs/dbraw/zinc/00/84/60/956008460.db2.gz RYQUDJKGTCUVOU-LBPRGKRZSA-N -1 0 305.342 -0.106 20 0 DBADRM C[C@@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)c1nncn1C ZINC001589102856 956016945 /nfs/dbraw/zinc/01/69/45/956016945.db2.gz JEGOTIQOWLASSN-ZDMBXUJBSA-N -1 0 309.326 -0.381 20 0 DBADRM Cn1nccc1-c1nnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1C ZINC001594588611 956024407 /nfs/dbraw/zinc/02/44/07/956024407.db2.gz ZEMJRVZAOXGFLL-YMTOWFKASA-N -1 0 318.337 -0.247 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)OCCn1cnc(Br)n1 ZINC001593916876 956028830 /nfs/dbraw/zinc/02/88/30/956028830.db2.gz AQRGNHYIYHISFB-YFKPBYRVSA-N -1 0 308.088 -0.317 20 0 DBADRM Cn1nccc1[C@H](NC(=O)c1ccoc1CC(N)=O)C(=O)[O-] ZINC001594589990 956046814 /nfs/dbraw/zinc/04/68/14/956046814.db2.gz BHLFDVHVAJFTFW-NSHDSACASA-N -1 0 306.278 -0.403 20 0 DBADRM Cn1nccc1[C@H](NCC(=O)N1CCOC[C@@H]1C1CC1)C(=O)[O-] ZINC001594590072 956047296 /nfs/dbraw/zinc/04/72/96/956047296.db2.gz CONVBHQVPVSGCF-OCCSQVGLSA-N -1 0 322.365 -0.227 20 0 DBADRM CO[C@H](C(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001593921098 956076946 /nfs/dbraw/zinc/07/69/46/956076946.db2.gz STKQXODIGULJNT-BDAKNGLRSA-N -1 0 303.311 -0.345 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)OCCN1C(=O)c2ccccc2C1=O ZINC001593921028 956077567 /nfs/dbraw/zinc/07/75/67/956077567.db2.gz WKTSFBJODASAHU-JTQLQIEISA-N -1 0 307.258 -0.075 20 0 DBADRM Cn1nccc1[C@H]1CN(CN2C[C@@H](C(=O)[O-])CC2=O)CCO1 ZINC001594596299 956092479 /nfs/dbraw/zinc/09/24/79/956092479.db2.gz CUKZYJKTLMUDSG-CMPLNLGQSA-N -1 0 308.338 -0.316 20 0 DBADRM Cn1nccc1COC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594596255 956092875 /nfs/dbraw/zinc/09/28/75/956092875.db2.gz ALMHRBQIBXHBCF-UHFFFAOYSA-N -1 0 316.335 -0.257 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001593922376 956093800 /nfs/dbraw/zinc/09/38/00/956093800.db2.gz MEIMUIYOWIXULN-ZWNOBZJWSA-N -1 0 312.326 -0.576 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC000388029038 972153351 /nfs/dbraw/zinc/15/33/51/972153351.db2.gz KQWBQSCXJGWYFI-QMMMGPOBSA-N -1 0 311.298 -0.819 20 0 DBADRM Cn1nnc2cc(NC(=O)C(=O)NCCCC(=O)[O-])ccc21 ZINC001594596563 956096834 /nfs/dbraw/zinc/09/68/34/956096834.db2.gz LOGCINAYJNWJBT-UHFFFAOYSA-N -1 0 305.294 -0.112 20 0 DBADRM C[C@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)c1ncnn1C ZINC001589116114 956096958 /nfs/dbraw/zinc/09/69/58/956096958.db2.gz AZBHJEVTMSVWBB-QMMMGPOBSA-N -1 0 305.294 -0.448 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCCc2ccc(C(N)=O)nc21 ZINC001593922570 956097432 /nfs/dbraw/zinc/09/74/32/956097432.db2.gz STMQJQYOAKLWLU-CQSZACIVSA-N -1 0 307.306 -0.051 20 0 DBADRM Cn1nccc1CN1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001594596638 956097835 /nfs/dbraw/zinc/09/78/35/956097835.db2.gz GVYIWACQOFPEPK-OAHLLOKOSA-N -1 0 322.365 -0.302 20 0 DBADRM Cn1nccc1CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001594597539 956106045 /nfs/dbraw/zinc/10/60/45/956106045.db2.gz XGHPCULZCVGWPM-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM Cn1nnc2c1C[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)CC2 ZINC001594597453 956106203 /nfs/dbraw/zinc/10/62/03/956106203.db2.gz XLJGVGDHCPVDCF-GZMMTYOYSA-N -1 0 309.326 -0.833 20 0 DBADRM C[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)[C@H](C)N1CCOCC1 ZINC001589119812 956108991 /nfs/dbraw/zinc/10/89/91/956108991.db2.gz BCZLCYFQNSOYTI-UWVGGRQHSA-N -1 0 311.342 -0.798 20 0 DBADRM Cn1nnnc1-c1ccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC001594598128 956111486 /nfs/dbraw/zinc/11/14/86/956111486.db2.gz KHTKUCRFMMKCJF-CYBMUJFWSA-N -1 0 320.309 -0.166 20 0 DBADRM C[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)C1(S(C)(=O)=O)CC1 ZINC001589120359 956113122 /nfs/dbraw/zinc/11/31/22/956113122.db2.gz KHLUQLWBQJHELP-SSDOTTSWSA-N -1 0 313.335 -0.130 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)NCCCCCC(=O)[O-])C1 ZINC001594598775 956115664 /nfs/dbraw/zinc/11/56/64/956115664.db2.gz BFZONMFLTQUHIN-UHFFFAOYSA-N -1 0 311.342 -0.327 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC001594599407 956120828 /nfs/dbraw/zinc/12/08/28/956120828.db2.gz UEEKVMOEFFJMSS-NSCUHMNNSA-N -1 0 318.289 -0.151 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCC[S@@](=O)CC(F)(F)F ZINC001593925767 956123511 /nfs/dbraw/zinc/12/35/11/956123511.db2.gz GFJPGBGBIAECPZ-LILOVNGRSA-N -1 0 305.274 -0.097 20 0 DBADRM COCCN1C[C@H](C(=O)N2CCOC[C@H]2CC(=O)[O-])CC1=O ZINC000388139353 972157043 /nfs/dbraw/zinc/15/70/43/972157043.db2.gz FYAHDKFZMIQVEQ-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCc1ncccc1S(C)(=O)=O ZINC001593926995 956138661 /nfs/dbraw/zinc/13/86/61/956138661.db2.gz RUFPHSYDIILHMC-GFCCVEGCSA-N -1 0 316.335 -0.409 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@H]1CCN(c2nc(C)cc(=O)[nH]2)C1 ZINC001593927556 956145478 /nfs/dbraw/zinc/14/54/78/956145478.db2.gz LNLDIVBMKNNJIL-LKFCYVNXSA-N -1 0 324.337 -0.325 20 0 DBADRM Cn1nnnc1CN1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001594602628 956147971 /nfs/dbraw/zinc/14/79/71/956147971.db2.gz WHODGGKBHLKRPM-VIFPVBQESA-N -1 0 308.342 -0.892 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)OCCN1C(=O)NC(C)(C)C1=O ZINC001593929370 956156246 /nfs/dbraw/zinc/15/62/46/956156246.db2.gz AGQAAEPTINBHEB-GFCCVEGCSA-N -1 0 302.283 -0.650 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCSC[C@H]2CO)cc1C(=O)[O-] ZINC000388190421 972159145 /nfs/dbraw/zinc/15/91/45/972159145.db2.gz NAOKLKABKAOORC-MRVPVSSYSA-N -1 0 320.392 -0.178 20 0 DBADRM C[C@H](NCCS(=O)(=O)CC(=O)[O-])c1nnnn1C1CC1 ZINC001589129787 956189728 /nfs/dbraw/zinc/18/97/28/956189728.db2.gz YDEXBNMDDNWTGH-ZETCQYMHSA-N -1 0 303.344 -0.842 20 0 DBADRM C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1nccn1C ZINC001589131781 956202623 /nfs/dbraw/zinc/20/26/23/956202623.db2.gz GMHFHPBTIUZXHZ-IUCAKERBSA-N -1 0 302.356 -0.136 20 0 DBADRM C[C@@](O)(CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C1CC1 ZINC001589135325 956222237 /nfs/dbraw/zinc/22/22/37/956222237.db2.gz HNTUQZCKVPNXLQ-BXKDBHETSA-N -1 0 305.352 -0.752 20 0 DBADRM C[C@](O)(C[C@@H](O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-])C1CC1 ZINC001589137182 956236344 /nfs/dbraw/zinc/23/63/44/956236344.db2.gz ZQEFXUAUDYVIFH-MDZLAQPJSA-N -1 0 321.395 -0.918 20 0 DBADRM C[C@](O)(C[C@@H](O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C1CC1 ZINC001589137184 956237367 /nfs/dbraw/zinc/23/73/67/956237367.db2.gz ZQEFXUAUDYVIFH-WZRBSPASSA-N -1 0 321.395 -0.918 20 0 DBADRM CO[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C(C)C ZINC001593938052 956240583 /nfs/dbraw/zinc/24/05/83/956240583.db2.gz BYPAAOSAUPCWBL-SECBINFHSA-N -1 0 312.326 -0.307 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1ccnn1CC1CC1)C(=O)[O-] ZINC001589137941 956240938 /nfs/dbraw/zinc/24/09/38/956240938.db2.gz DBSSXLXQPCLCBK-ZDUSSCGKSA-N -1 0 310.310 -0.817 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1cccc2c1COC2=O)C(=O)[O-] ZINC001589138006 956242910 /nfs/dbraw/zinc/24/29/10/956242910.db2.gz GCEKQCZQEDJKMJ-AWEZNQCLSA-N -1 0 322.273 -0.753 20 0 DBADRM C[C@@](O)(CNC(=O)CN1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC001589138346 956246707 /nfs/dbraw/zinc/24/67/07/956246707.db2.gz BCDOFJJJEHSUPO-OAHLLOKOSA-N -1 0 322.365 -0.845 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F)C(=O)[O-] ZINC001589138380 956246734 /nfs/dbraw/zinc/24/67/34/956246734.db2.gz DBVYPHCGMTXDFW-KORWRZNCSA-N -1 0 312.244 -0.747 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1c(F)cc(F)cc1F)C(=O)[O-] ZINC001589138845 956253724 /nfs/dbraw/zinc/25/37/24/956253724.db2.gz VGJIWRHNPYSDQW-LBPRGKRZSA-N -1 0 320.223 -0.006 20 0 DBADRM C[C@](O)(CNC(=O)CC[C@H]1CC[C@@H](C2OCCO2)O1)C(=O)[O-] ZINC001589139496 956260484 /nfs/dbraw/zinc/26/04/84/956260484.db2.gz WSPGPUNWJBADFC-BFVZDQMLSA-N -1 0 317.338 -0.361 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1CCc2nnc(C3CC3)n2C1)C(=O)[O-] ZINC001589139642 956261608 /nfs/dbraw/zinc/26/16/08/956261608.db2.gz YLOAKLMIVRIYFV-XPTSAGLGSA-N -1 0 308.338 -0.330 20 0 DBADRM C[C@](O)(CNC(=O)Cn1cc(-c2ccccc2)nn1)C(=O)[O-] ZINC001589140400 956264026 /nfs/dbraw/zinc/26/40/26/956264026.db2.gz LJEMRAMPSDWUJD-AWEZNQCLSA-N -1 0 304.306 -0.103 20 0 DBADRM CO[C@@]1(C)CCCN(C(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC001593941598 956279954 /nfs/dbraw/zinc/27/99/54/956279954.db2.gz DOHBDVXFSNYCRB-ZDUSSCGKSA-N -1 0 302.327 -0.769 20 0 DBADRM C[C@@](O)(CNC(=O)c1cn(Cc2ccccn2)nn1)C(=O)[O-] ZINC001589144742 956282360 /nfs/dbraw/zinc/28/23/60/956282360.db2.gz WHRVXBWMYMWOCK-CYBMUJFWSA-N -1 0 305.294 -0.713 20 0 DBADRM C[C@@](O)(CNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C(=O)[O-] ZINC001589144900 956284351 /nfs/dbraw/zinc/28/43/51/956284351.db2.gz YNKRJWIGVQQNCK-CQSZACIVSA-N -1 0 309.322 -0.184 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1)C(=O)[O-] ZINC001589144907 956284558 /nfs/dbraw/zinc/28/45/58/956284558.db2.gz YQOCSWZUWAWDAQ-BXUZGUMPSA-N -1 0 323.305 -0.132 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001589146419 956291246 /nfs/dbraw/zinc/29/12/46/956291246.db2.gz HUSGTWXDUOIFNF-WCQGTBRESA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001589146386 956291450 /nfs/dbraw/zinc/29/14/50/956291450.db2.gz HLKALTUCXMTPGR-JRPNMDOOSA-N -1 0 308.334 -0.031 20 0 DBADRM COC1(C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])CS(=O)(=O)C1 ZINC001593943040 956294821 /nfs/dbraw/zinc/29/48/21/956294821.db2.gz BPLBPKUSHNKLDO-RKDXNWHRSA-N -1 0 305.352 -0.346 20 0 DBADRM COC1([C@H](C)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])CCOCC1 ZINC001593943076 956295064 /nfs/dbraw/zinc/29/50/64/956295064.db2.gz DCHGFGBQMSBSKQ-ZJUUUORDSA-N -1 0 316.354 -0.476 20 0 DBADRM CO[C@@]1(C(=O)NCCOCCOCC(=O)[O-])CCSC1 ZINC001593943196 956296179 /nfs/dbraw/zinc/29/61/79/956296179.db2.gz HNRMXGFVEWCDRW-LBPRGKRZSA-N -1 0 307.368 -0.258 20 0 DBADRM COC1(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])CCOCC1 ZINC001593943238 956297505 /nfs/dbraw/zinc/29/75/05/956297505.db2.gz BGKQTSINWSPXQM-SECBINFHSA-N -1 0 302.327 -0.865 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CCOC1 ZINC001593943300 956298031 /nfs/dbraw/zinc/29/80/31/956298031.db2.gz DPGWEPQZHSFUAG-IINYFYTJSA-N -1 0 314.338 -0.769 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589146790 956298771 /nfs/dbraw/zinc/29/87/71/956298771.db2.gz NMFFGCYFWNBVQV-JRPNMDOOSA-N -1 0 308.334 -0.031 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC001589146867 956300074 /nfs/dbraw/zinc/30/00/74/956300074.db2.gz NUAGPARUBYFANG-PWSUYJOCSA-N -1 0 312.366 -0.071 20 0 DBADRM CO[C@]1(C(=O)Nc2ccc(C(=O)[O-])cn2)CCS(=O)(=O)C1 ZINC001593943591 956301692 /nfs/dbraw/zinc/30/16/92/956301692.db2.gz NYSHDWDWJQUGGV-GFCCVEGCSA-N -1 0 314.319 -0.078 20 0 DBADRM CO[C@]1(CNC(=O)N(C)C[C@@H](C)C(=O)[O-])CCS(=O)(=O)C1 ZINC001593943570 956301934 /nfs/dbraw/zinc/30/19/34/956301934.db2.gz LBZPLYHONKFDIT-SKDRFNHKSA-N -1 0 322.383 -0.448 20 0 DBADRM CO[C@]1(CNC(=O)N(C)C[C@H](C)C(=O)[O-])CCS(=O)(=O)C1 ZINC001593943567 956302224 /nfs/dbraw/zinc/30/22/24/956302224.db2.gz LBZPLYHONKFDIT-CABZTGNLSA-N -1 0 322.383 -0.448 20 0 DBADRM COC1(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CS(=O)(=O)C1 ZINC001593943750 956303866 /nfs/dbraw/zinc/30/38/66/956303866.db2.gz RCDTWXMJELIDPK-SECBINFHSA-N -1 0 307.368 -0.337 20 0 DBADRM CO[C@]1(C(=O)NC2CCC(C(=O)[O-])CC2)CCS(=O)(=O)C1 ZINC001593943973 956308090 /nfs/dbraw/zinc/30/80/90/956308090.db2.gz USUYVWOMBIJCBF-SRHKJQAYSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001589147432 956308661 /nfs/dbraw/zinc/30/86/61/956308661.db2.gz SKVOUKAUOHYKCD-ZDUSSCGKSA-N -1 0 306.278 -0.341 20 0 DBADRM C[C@@](O)(CNC(=O)c1ncc(Br)cn1)C(=O)[O-] ZINC001589147534 956310176 /nfs/dbraw/zinc/31/01/76/956310176.db2.gz VICGWQFWPXKTIM-SECBINFHSA-N -1 0 304.100 -0.196 20 0 DBADRM C[C@](O)(CO)CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001589147699 956312341 /nfs/dbraw/zinc/31/23/41/956312341.db2.gz JTCKRMMWLUFGQL-IUODEOHRSA-N -1 0 321.333 -0.435 20 0 DBADRM COC(OC)[C@H](C)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593944692 956318410 /nfs/dbraw/zinc/31/84/10/956318410.db2.gz OTQLLIDSSGXZHQ-QMMMGPOBSA-N -1 0 323.367 -0.610 20 0 DBADRM COC(OC)C(=O)N1CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC001593944977 956319626 /nfs/dbraw/zinc/31/96/26/956319626.db2.gz SCXLDHQEAWRRIA-SECBINFHSA-N -1 0 317.342 -0.820 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC001589148281 956320235 /nfs/dbraw/zinc/32/02/35/956320235.db2.gz PHEDAXYTQWZCEK-NSHDSACASA-N -1 0 303.340 -0.667 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001589152443 956336791 /nfs/dbraw/zinc/33/67/91/956336791.db2.gz OPBKNXIOYJRTBI-NSHDSACASA-N -1 0 300.355 -0.607 20 0 DBADRM COC1(OC)CCOC[C@H]1NC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001593947469 956342228 /nfs/dbraw/zinc/34/22/28/956342228.db2.gz IYMPAXAXJIULCN-RKDXNWHRSA-N -1 0 302.283 -0.890 20 0 DBADRM COC1(OC)CCOC[C@H]1NC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001593947466 956342701 /nfs/dbraw/zinc/34/27/01/956342701.db2.gz IYMPAXAXJIULCN-DTWKUNHWSA-N -1 0 302.283 -0.890 20 0 DBADRM COC1(OC)CCOC[C@H]1NC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001593947514 956343767 /nfs/dbraw/zinc/34/37/67/956343767.db2.gz KBXDUBZYRSQSBW-BXKDBHETSA-N -1 0 303.311 -0.486 20 0 DBADRM CO[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)[C@H](C)C1 ZINC001593948868 956356101 /nfs/dbraw/zinc/35/61/01/956356101.db2.gz AGNMQONMYRWJQX-NXEZZACHSA-N -1 0 324.337 -0.068 20 0 DBADRM CO[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C[C@H]1C ZINC001593949752 956366540 /nfs/dbraw/zinc/36/65/40/956366540.db2.gz LXRTWAKHTHTIKQ-GMTAPVOTSA-N -1 0 314.338 -0.818 20 0 DBADRM CO[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001593949973 956367867 /nfs/dbraw/zinc/36/78/67/956367867.db2.gz NOCCWLYQEJGZRH-VIFPVBQESA-N -1 0 310.310 -0.456 20 0 DBADRM CO[C@@H]1CC[C@H](NC(=O)NCCOCCOCC(=O)[O-])C1 ZINC001593949895 956368046 /nfs/dbraw/zinc/36/80/46/956368046.db2.gz VLTHBVQUTMIKHO-WDEREUQCSA-N -1 0 304.343 -0.029 20 0 DBADRM NC(=O)[C@@H](F)C1CCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001594636363 956375734 /nfs/dbraw/zinc/37/57/34/956375734.db2.gz HAYPOQVETJSPDV-ONGXEEELSA-N -1 0 301.318 -0.793 20 0 DBADRM NC(=O)[C@H](F)C1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001594636876 956380185 /nfs/dbraw/zinc/38/01/85/956380185.db2.gz RAEPZBVMCQOSND-SNVBAGLBSA-N -1 0 310.347 -0.979 20 0 DBADRM CO[C@H]1COCC[C@@H]1CC(=O)OCc1cn(CC(=O)[O-])nn1 ZINC001593950845 956381486 /nfs/dbraw/zinc/38/14/86/956381486.db2.gz HJLDLLCQFBDJOD-KOLCDFICSA-N -1 0 313.310 -0.153 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001594637098 956381847 /nfs/dbraw/zinc/38/18/47/956381847.db2.gz VIPXRRLTMKEAKW-ONGXEEELSA-N -1 0 305.290 -0.571 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)C1 ZINC001594637803 956383400 /nfs/dbraw/zinc/38/34/00/956383400.db2.gz ABGYISSWYMBYHG-VGMNWLOBSA-N -1 0 313.310 -0.997 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)C1 ZINC001594637804 956384449 /nfs/dbraw/zinc/38/44/49/956384449.db2.gz ABGYISSWYMBYHG-YIZRAAEISA-N -1 0 313.310 -0.997 20 0 DBADRM C[C@H](OC(=O)[C@@H](C)C(=O)[O-])C(=O)Nc1ncnc2[nH]cnc21 ZINC001589158646 956385041 /nfs/dbraw/zinc/38/50/41/956385041.db2.gz KDKVRHPNJFQWCJ-WDSKDSINSA-N -1 0 307.266 -0.056 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)CC1 ZINC001594637862 956385210 /nfs/dbraw/zinc/38/52/10/956385210.db2.gz CVOABOQSPYEUQK-UPHRSURJSA-N -1 0 308.290 -0.170 20 0 DBADRM C[C@@H](OC(=O)[C@H](C)C(=O)[O-])C(=O)Nc1ncnc2[nH]cnc21 ZINC001589158644 956385410 /nfs/dbraw/zinc/38/54/10/956385410.db2.gz KDKVRHPNJFQWCJ-PHDIDXHHSA-N -1 0 307.266 -0.056 20 0 DBADRM NC(=O)C1(NC(=O)c2cccn(CC(=O)[O-])c2=O)CCCC1 ZINC001594637975 956386658 /nfs/dbraw/zinc/38/66/58/956386658.db2.gz GVWSBTCTTLLQLW-UHFFFAOYSA-N -1 0 307.306 -0.539 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)c2ccc(OCC(=O)[O-])cc2)CCO1 ZINC001594638203 956390536 /nfs/dbraw/zinc/39/05/36/956390536.db2.gz DOCBOKSJVOCMLF-LBPRGKRZSA-N -1 0 322.317 -0.134 20 0 DBADRM CO[C@H]1COCC[C@H]1N(C)C(=O)C(=O)NCCCCC(=O)[O-] ZINC001593951644 956393505 /nfs/dbraw/zinc/39/35/05/956393505.db2.gz QGNWGAGDBMAGAE-MNOVXSKESA-N -1 0 316.354 -0.380 20 0 DBADRM NC(=O)C[C@@H]1CCCN(C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC001594638506 956394753 /nfs/dbraw/zinc/39/47/53/956394753.db2.gz JXGOAGMLVBOQLT-JTQLQIEISA-N -1 0 313.354 -0.529 20 0 DBADRM NC(=O)C[C@@H]1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001594638807 956397176 /nfs/dbraw/zinc/39/71/76/956397176.db2.gz NRWWOWSDPVUMIP-QMMMGPOBSA-N -1 0 320.305 -0.558 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CC1 ZINC001594639486 956404802 /nfs/dbraw/zinc/40/48/02/956404802.db2.gz WVDSBTLQJLDXSD-UWVGGRQHSA-N -1 0 314.338 -0.905 20 0 DBADRM NC(=O)[C@H]1c2ccccc2CCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001594639596 956406617 /nfs/dbraw/zinc/40/66/17/956406617.db2.gz WWSQBSNJXOPJDC-TZMCWYRMSA-N -1 0 317.345 -0.243 20 0 DBADRM NC(=O)[C@@H]1c2ccccc2CCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001594639594 956406685 /nfs/dbraw/zinc/40/66/85/956406685.db2.gz WWSQBSNJXOPJDC-JSGCOSHPSA-N -1 0 317.345 -0.243 20 0 DBADRM C[C@H](OC(=O)c1cc(C(=O)[O-])nn1C)C(=O)N1CCOCC1 ZINC001589160528 956407727 /nfs/dbraw/zinc/40/77/27/956407727.db2.gz OUFLQZWPVHMSTC-QMMMGPOBSA-N -1 0 311.294 -0.478 20 0 DBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CCCC(=O)[O-] ZINC001594640176 956411500 /nfs/dbraw/zinc/41/15/00/956411500.db2.gz FIOVXNZLXWMNDN-VIFPVBQESA-N -1 0 300.311 -0.349 20 0 DBADRM NC(=O)C1CCN(C(=O)COC(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001594640804 956415660 /nfs/dbraw/zinc/41/56/60/956415660.db2.gz QUNCIIYTPLIFPI-LLVKDONJSA-N -1 0 312.322 -0.636 20 0 DBADRM NC(=O)COC1CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC001594640937 956418954 /nfs/dbraw/zinc/41/89/54/956418954.db2.gz FFVDXOXTMOEERM-UHFFFAOYSA-N -1 0 313.354 -0.083 20 0 DBADRM COC[C@@H](C)CNC(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001593955055 956422056 /nfs/dbraw/zinc/42/20/56/956422056.db2.gz XCGUFHDPHBOBJB-GXFFZTMASA-N -1 0 304.343 -0.220 20 0 DBADRM COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC001593955909 956422591 /nfs/dbraw/zinc/42/25/91/956422591.db2.gz BTZCMFCLTBCZME-ZJUUUORDSA-N -1 0 324.337 -0.038 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)CC1=O ZINC001594641299 956423813 /nfs/dbraw/zinc/42/38/13/956423813.db2.gz KVCFNLHZFAFAOH-OWOJBTEDSA-N -1 0 321.289 -0.853 20 0 DBADRM NC(=O)CN(Cc1ccccc1)C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001594641567 956424885 /nfs/dbraw/zinc/42/48/85/956424885.db2.gz VBSHPKDGJMIVQK-LLVKDONJSA-N -1 0 305.290 -0.270 20 0 DBADRM COC[C@@H](C)NC(=S)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593956464 956431997 /nfs/dbraw/zinc/43/19/97/956431997.db2.gz XWCBBSNBSXGCJG-NXEZZACHSA-N -1 0 317.411 -0.049 20 0 DBADRM NC(=O)Cn1cc(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)cn1 ZINC001594645099 956436148 /nfs/dbraw/zinc/43/61/48/956436148.db2.gz NIKTWPLUPLTGSR-SCZZXKLOSA-N -1 0 310.310 -0.423 20 0 DBADRM O=C([O-])C1(c2ccc(S(=O)(=O)N[C@@H]3CNC(=O)C3)cc2)CC1 ZINC000388639756 972184059 /nfs/dbraw/zinc/18/40/59/972184059.db2.gz CCODJQQWBRUMKM-JTQLQIEISA-N -1 0 324.358 -0.030 20 0 DBADRM COC[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C1CC1 ZINC001593957085 956441900 /nfs/dbraw/zinc/44/19/00/956441900.db2.gz OYDOFGOMTUVZHP-SECBINFHSA-N -1 0 310.310 -0.553 20 0 DBADRM COCC(COC)N1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1 ZINC001593957193 956442948 /nfs/dbraw/zinc/44/29/48/956442948.db2.gz BOGAWGJIDRPCLW-ABAIWWIYSA-N -1 0 314.382 -0.097 20 0 DBADRM COC[C@@H](CS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)OC ZINC001593957516 956447767 /nfs/dbraw/zinc/44/77/67/956447767.db2.gz WAOIHMXOWXLVJJ-JFGNBEQYSA-N -1 0 323.367 -0.989 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])O1 ZINC001594648367 956452773 /nfs/dbraw/zinc/45/27/73/956452773.db2.gz XPLXDNOHZNDUIP-AXFHLTTASA-N -1 0 307.306 -0.774 20 0 DBADRM NC(=O)c1ccc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000388661163 972185375 /nfs/dbraw/zinc/18/53/75/972185375.db2.gz QNMYYEYUWVMZFE-MWLCHTKSSA-N -1 0 309.278 -0.287 20 0 DBADRM COC[C@@H](CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)OC ZINC001593958288 956460334 /nfs/dbraw/zinc/46/03/34/956460334.db2.gz WQRAYVFJJADRQH-NXEZZACHSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@]1(C(=O)N2CCO[C@](COC)(C(=O)[O-])C2)CCOC1 ZINC001593958556 956464194 /nfs/dbraw/zinc/46/41/94/956464194.db2.gz GVDOHVAJYINILH-ZIAGYGMSSA-N -1 0 317.338 -0.632 20 0 DBADRM COCC1(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCOCC1 ZINC001593958718 956465790 /nfs/dbraw/zinc/46/57/90/956465790.db2.gz JKUKEHJJIBSXTE-IAQYHMDHSA-N -1 0 313.350 -0.011 20 0 DBADRM NC(=O)c1ccc(NC(=O)c2cccn(CC(=O)[O-])c2=O)cn1 ZINC001594650130 956468255 /nfs/dbraw/zinc/46/82/55/956468255.db2.gz ONNHESZPWCXVRR-UHFFFAOYSA-N -1 0 316.273 -0.321 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CCCCO)C1 ZINC001593959146 956469252 /nfs/dbraw/zinc/46/92/52/956469252.db2.gz RWVIHJBUBAESIU-AWEZNQCLSA-N -1 0 316.354 -0.833 20 0 DBADRM COC[C@@H](OC)C(=O)O[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593959465 956471650 /nfs/dbraw/zinc/47/16/50/956471650.db2.gz YZPFQEQTOMTKFN-NXEZZACHSA-N -1 0 303.311 -0.343 20 0 DBADRM NC(=O)c1ccc(CC(=O)NC2(C(=O)[O-])CCOCC2)cn1 ZINC001594650687 956472171 /nfs/dbraw/zinc/47/21/71/956472171.db2.gz JVYKYSJCTYHRLA-UHFFFAOYSA-N -1 0 307.306 -0.527 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cn1 ZINC001594651005 956475431 /nfs/dbraw/zinc/47/54/31/956475431.db2.gz SCJKEFJOKLINNJ-BONVTDFDSA-N -1 0 319.317 -0.717 20 0 DBADRM NC(=O)c1cccc2c1CCN(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)C2 ZINC001594652526 956482169 /nfs/dbraw/zinc/48/21/69/956482169.db2.gz YGXYBUFSWVDKQK-LBPRGKRZSA-N -1 0 317.301 -0.100 20 0 DBADRM NC(=O)c1ncn(CC(=O)OCc2ccc(C(=O)[O-])cc2)n1 ZINC001594654240 956494398 /nfs/dbraw/zinc/49/43/98/956494398.db2.gz MYDSZUCMGGXPNJ-UHFFFAOYSA-N -1 0 304.262 -0.181 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)Cc2nc3ncccn3n2)C1 ZINC001593962210 956498241 /nfs/dbraw/zinc/49/82/41/956498241.db2.gz DETZKEAMBVEESQ-AWEZNQCLSA-N -1 0 319.321 -0.384 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)Cn2cc([C@H](C)O)nn2)C1 ZINC001593962273 956499904 /nfs/dbraw/zinc/49/99/04/956499904.db2.gz DTQCLHJHRRQULQ-ZANVPECISA-N -1 0 312.326 -0.719 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)C1 ZINC001593962464 956501097 /nfs/dbraw/zinc/50/10/97/956501097.db2.gz SOXSJPHQWYMMEG-IMSIIYSGSA-N -1 0 313.354 -0.227 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)C1 ZINC001593962465 956501247 /nfs/dbraw/zinc/50/12/47/956501247.db2.gz SOXSJPHQWYMMEG-RBZYPMLTSA-N -1 0 313.354 -0.227 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)C(=O)N(C)OC)C1 ZINC001593962559 956501585 /nfs/dbraw/zinc/50/15/85/956501585.db2.gz ZROIQHCLPKNKAC-RNCFNFMXSA-N -1 0 317.342 -0.473 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001594657055 956505600 /nfs/dbraw/zinc/50/56/00/956505600.db2.gz ALAGRCYFIAAEDV-AEJSXWLSSA-N -1 0 319.383 -0.440 20 0 DBADRM NS(=O)(=O)CCCOC(=O)C1(C(=O)[O-])CCSCC1 ZINC001594657546 956508608 /nfs/dbraw/zinc/50/86/08/956508608.db2.gz ITDUTWJSQVEVJH-UHFFFAOYSA-N -1 0 311.381 -0.194 20 0 DBADRM NS(=O)(=O)CCCCCCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001594658157 956510917 /nfs/dbraw/zinc/51/09/17/956510917.db2.gz WWEWWFOHXFOTDW-JTQLQIEISA-N -1 0 322.383 -0.463 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCC[C@@H]2CNC(=O)C2)C1 ZINC001593963152 956512591 /nfs/dbraw/zinc/51/25/91/956512591.db2.gz IRWOREHYRIWTJZ-HZMBPMFUSA-N -1 0 313.354 -0.355 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)Nc2nccn(C)c2=O)C1 ZINC001593963366 956514603 /nfs/dbraw/zinc/51/46/03/956514603.db2.gz CRAVNNIMWCCVOM-ZDUSSCGKSA-N -1 0 310.310 -0.265 20 0 DBADRM NS(=O)(=O)c1sccc1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594660165 956527608 /nfs/dbraw/zinc/52/76/08/956527608.db2.gz IWKCJHGVQLWZNC-IZLXSQMJSA-N -1 0 304.349 -0.012 20 0 DBADRM C[C@]1(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCCS1(=O)=O ZINC001589182292 956535129 /nfs/dbraw/zinc/53/51/29/956535129.db2.gz YOTIXXRLVGJFKM-BIMULSAOSA-N -1 0 317.363 -0.487 20 0 DBADRM C[C@@]1(C(=O)Nc2ncn(CC(=O)[O-])n2)CCCS1(=O)=O ZINC001589184502 956554309 /nfs/dbraw/zinc/55/43/09/956554309.db2.gz XPPHHKRAEFZPSL-JTQLQIEISA-N -1 0 302.312 -0.732 20 0 DBADRM Nc1c(C(=O)OCC(=O)NCC(=O)[O-])cnn1-c1ccccc1 ZINC001594663798 956557530 /nfs/dbraw/zinc/55/75/30/956557530.db2.gz YOOPPVNTQIUHID-UHFFFAOYSA-N -1 0 318.289 -0.188 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1c1nnnn1CCN1CCOCC1 ZINC001589186737 956560718 /nfs/dbraw/zinc/56/07/18/956560718.db2.gz BNUJVIWLXWNJLU-ZDUSSCGKSA-N -1 0 310.358 -0.551 20 0 DBADRM Nc1ncnc2c1ncn2CCNC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001594664943 956563954 /nfs/dbraw/zinc/56/39/54/956563954.db2.gz IFJKFSUKEMQXGX-MRVPVSSYSA-N -1 0 304.310 -0.365 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](n3cccn3)C2)C1 ZINC001589187599 956570497 /nfs/dbraw/zinc/57/04/97/956570497.db2.gz WPNREMGFAJMIAV-XHDPSFHLSA-N -1 0 320.349 -0.020 20 0 DBADRM Nc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c(F)c1 ZINC001594665490 956570967 /nfs/dbraw/zinc/57/09/67/956570967.db2.gz DSKRTICMTNSREK-SECBINFHSA-N -1 0 304.299 -0.118 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCCn2ccnc2)C1 ZINC001589187689 956570966 /nfs/dbraw/zinc/57/09/66/956570966.db2.gz CAKXYFBFJSNACT-AWEZNQCLSA-N -1 0 308.338 -0.287 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCO[C@@H]2CCOC2)C1 ZINC001589187746 956571420 /nfs/dbraw/zinc/57/14/20/956571420.db2.gz HHWDVPKYAJMEFZ-YGRLFVJLSA-N -1 0 314.338 -0.769 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)C1 ZINC001589187860 956572100 /nfs/dbraw/zinc/57/21/00/956572100.db2.gz IKXYPRNSUYDYBM-ATEUNZGCSA-N -1 0 311.338 -0.920 20 0 DBADRM Nc1cccc(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1 ZINC001594666044 956574815 /nfs/dbraw/zinc/57/48/15/956574815.db2.gz YJVJLLHCVQOBDM-ZANVPECISA-N -1 0 312.347 -0.010 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCn2ccnc2)C1 ZINC001593968111 956583095 /nfs/dbraw/zinc/58/30/95/956583095.db2.gz ODBBOKHSLQEXRD-LBPRGKRZSA-N -1 0 317.367 -0.364 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@H]1CCCCS1(=O)=O)C2 ZINC001594667703 956593607 /nfs/dbraw/zinc/59/36/07/956593607.db2.gz LSOCLFDSENJLDL-GIPNMCIBSA-N -1 0 317.363 -0.487 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C(=O)c2ccc(O)cc2)CCO1 ZINC001593970105 956600379 /nfs/dbraw/zinc/60/03/79/956600379.db2.gz JJTNWHYJQJVPOM-HNNXBMFYSA-N -1 0 323.301 -0.097 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCC2(C)COC2)CCO1 ZINC001593970200 956601939 /nfs/dbraw/zinc/60/19/39/956601939.db2.gz DDJAYBOXYCZIAP-ZDUSSCGKSA-N -1 0 302.327 -0.466 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NC[C@H]2CCCOC2)CCO1 ZINC001593970341 956604476 /nfs/dbraw/zinc/60/44/76/956604476.db2.gz GUROFBVKBMHXOQ-BXUZGUMPSA-N -1 0 316.354 -0.075 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NC[C@@H]2CCCOC2)CCO1 ZINC001593970344 956604677 /nfs/dbraw/zinc/60/46/77/956604677.db2.gz GUROFBVKBMHXOQ-SMDDNHRTSA-N -1 0 316.354 -0.075 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NC[C@H]2CCCO2)CCO1 ZINC001593970504 956607591 /nfs/dbraw/zinc/60/75/91/956607591.db2.gz KIWNFVFQRSJDFR-ZWNOBZJWSA-N -1 0 302.327 -0.323 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C2CCN(OC)CC2)CCO1 ZINC001593971154 956616976 /nfs/dbraw/zinc/61/69/76/956616976.db2.gz FFQOQKCKPPRPFQ-CQSZACIVSA-N -1 0 316.354 -0.412 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C2(O)CCSCC2)CCO1 ZINC001593971087 956617590 /nfs/dbraw/zinc/61/75/90/956617590.db2.gz DTAJEBKTQTWHAG-ZDUSSCGKSA-N -1 0 319.379 -0.427 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001589196783 956617658 /nfs/dbraw/zinc/61/76/58/956617658.db2.gz XDGZMXSOEYXKLG-SNVBAGLBSA-N -1 0 304.253 -0.244 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@H](C)C[S@@](C)=O)CCO1 ZINC001593971634 956624738 /nfs/dbraw/zinc/62/47/38/956624738.db2.gz DEYOLXHXMXAJEC-HDKXSFDQSA-N -1 0 322.383 -0.735 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCN(C(=O)CO)CC1 ZINC001589201138 956636676 /nfs/dbraw/zinc/63/66/76/956636676.db2.gz MPCMSRLDZAGWDV-UHFFFAOYSA-N -1 0 312.366 -0.214 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CCCCC(N)=O)CCO1 ZINC001593973451 956643424 /nfs/dbraw/zinc/64/34/24/956643424.db2.gz NCZUQRVICMZJRG-CYBMUJFWSA-N -1 0 302.327 -0.639 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@]2(C)CCC(=O)NC2)CCO1 ZINC001593974409 956651565 /nfs/dbraw/zinc/65/15/65/956651565.db2.gz LSLMKTLACHVAJP-KGLIPLIRSA-N -1 0 314.338 -0.769 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H]2CCc3nncn3C2)CCO1 ZINC001593974634 956653376 /nfs/dbraw/zinc/65/33/76/956653376.db2.gz RJLCMGDJBUZAHP-IINYFYTJSA-N -1 0 324.337 -0.831 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001589204850 956656789 /nfs/dbraw/zinc/65/67/89/956656789.db2.gz OVTVYLBQNQXULC-MRVPVSSYSA-N -1 0 321.395 -0.355 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H](O)C2CCOCC2)CCO1 ZINC001593975010 956657465 /nfs/dbraw/zinc/65/74/65/956657465.db2.gz OHMVERIQVLDUGM-BXUZGUMPSA-N -1 0 317.338 -0.898 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C2=C[S@@](=O)CCC2)CCO1 ZINC001593976305 956667692 /nfs/dbraw/zinc/66/76/92/956667692.db2.gz XIHGHQJYSBMGAB-ASSNKEHSSA-N -1 0 317.363 -0.259 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)Cc2c(C)n[nH]c2C)CCO1 ZINC001593976379 956667740 /nfs/dbraw/zinc/66/77/40/956667740.db2.gz WWECIISNBCPOEU-AWEZNQCLSA-N -1 0 311.338 -0.102 20 0 DBADRM CC1(C)[C@@H](O)C[C@@H]1NC(=O)NCCOCCOCC(=O)[O-] ZINC001589210110 956681802 /nfs/dbraw/zinc/68/18/02/956681802.db2.gz WEMZSHJMXQUFBX-UWVGGRQHSA-N -1 0 304.343 -0.437 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H](NC(C)=O)C(C)C)CCO1 ZINC001593978049 956682841 /nfs/dbraw/zinc/68/28/41/956682841.db2.gz PDHWIBZAYHUYNR-RISCZKNCSA-N -1 0 316.354 -0.524 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)Nc2nnn(C)c2C)CCO1 ZINC001593978068 956682850 /nfs/dbraw/zinc/68/28/50/956682850.db2.gz PKEOPFPSWFTJOC-LBPRGKRZSA-N -1 0 313.314 -0.543 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCCn2ccnc2)CCO1 ZINC001593978443 956686737 /nfs/dbraw/zinc/68/67/37/956686737.db2.gz IFKIOUSKTGTBFY-ZDUSSCGKSA-N -1 0 312.326 -0.605 20 0 DBADRM CC1(C)C[C@@H](NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCS1(=O)=O ZINC001589211211 956688528 /nfs/dbraw/zinc/68/85/28/956688528.db2.gz DPSYATYEIRZPEA-IONNQARKSA-N -1 0 318.351 -0.312 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCc2cccnn2)CCO1 ZINC001593978613 956688755 /nfs/dbraw/zinc/68/87/55/956688755.db2.gz KDSKHJZLZGUYKE-ZDUSSCGKSA-N -1 0 310.310 -0.512 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCc2cncn2C)CCO1 ZINC001593978710 956689773 /nfs/dbraw/zinc/68/97/73/956689773.db2.gz LLAVMCODJCZEMP-ZDUSSCGKSA-N -1 0 312.326 -0.568 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)Nc2nc(C)no2)CCO1 ZINC001593978684 956690495 /nfs/dbraw/zinc/69/04/95/956690495.db2.gz VZJHRKJGJWLTCT-LLVKDONJSA-N -1 0 300.271 -0.288 20 0 DBADRM CC1(C)C[C@@H](NC(=O)NCCOCCOCC(=O)[O-])CO1 ZINC001589211302 956690558 /nfs/dbraw/zinc/69/05/58/956690558.db2.gz HTPXFUKPBMMHJW-SNVBAGLBSA-N -1 0 304.343 -0.029 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cc3n(n2)CCC3)CCO1 ZINC001593979601 956702933 /nfs/dbraw/zinc/70/29/33/956702933.db2.gz DDFZIMVDCIURCD-CQSZACIVSA-N -1 0 309.322 -0.229 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cc3n(n2)CCC3)CCO1 ZINC001593979600 956703006 /nfs/dbraw/zinc/70/30/06/956703006.db2.gz DDFZIMVDCIURCD-AWEZNQCLSA-N -1 0 309.322 -0.229 20 0 DBADRM O=C([O-])C1(C(=O)NCCC(=O)Nc2ccncc2)CCOCC1 ZINC001594684944 956706084 /nfs/dbraw/zinc/70/60/84/956706084.db2.gz KNBUDOXNVAUZBI-UHFFFAOYSA-N -1 0 321.333 -0.170 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC001589213346 956713768 /nfs/dbraw/zinc/71/37/68/956713768.db2.gz ZBKUSUIXKUHRMB-PELKAZGASA-N -1 0 304.368 -0.233 20 0 DBADRM O=C([O-])C(=O)COC(=O)CCN1C(=O)COc2ccccc21 ZINC001594686864 956716535 /nfs/dbraw/zinc/71/65/35/956716535.db2.gz PWZBTXGESRGQEF-UHFFFAOYSA-N -1 0 307.258 -0.001 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)CCN2C(=O)CCNC2=S)C1 ZINC001594686896 956717100 /nfs/dbraw/zinc/71/71/00/956717100.db2.gz RWEZJDSDJVSXPW-BDAKNGLRSA-N -1 0 313.379 -0.147 20 0 DBADRM CC1(C)C[C@](C)(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C(=O)O1 ZINC001589214022 956721129 /nfs/dbraw/zinc/72/11/29/956721129.db2.gz MNKXNRIWYRERGQ-OQPBUACISA-N -1 0 300.311 -0.034 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(Cc2ncnn2CCF)CCO1 ZINC001593983061 956726428 /nfs/dbraw/zinc/72/64/28/956726428.db2.gz FMPFTAOXUUVGSG-GFCCVEGCSA-N -1 0 302.306 -0.450 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cn(C)c(C)cc2=O)CCO1 ZINC001593983339 956729708 /nfs/dbraw/zinc/72/97/08/956729708.db2.gz NMJCUYHRIKKSDP-HNNXBMFYSA-N -1 0 324.333 -0.364 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2ccnc(CO)c2)CCO1 ZINC001593983529 956732357 /nfs/dbraw/zinc/73/23/57/956732357.db2.gz PCXZQZAHTXFDEN-AWEZNQCLSA-N -1 0 310.306 -0.484 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cnn3c2CCC3)CCO1 ZINC001593984543 956751676 /nfs/dbraw/zinc/75/16/76/956751676.db2.gz YZSSNCBBARQFNQ-CQSZACIVSA-N -1 0 309.322 -0.229 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CN1C(=O)CCC1=O ZINC001594691887 956753682 /nfs/dbraw/zinc/75/36/82/956753682.db2.gz UAMOIQYQSNOLHK-LLVKDONJSA-N -1 0 304.302 -0.053 20 0 DBADRM O=C(CN1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)NCC1CC1 ZINC001594692378 956756647 /nfs/dbraw/zinc/75/66/47/956756647.db2.gz MSELQYLOFIYQPL-LBPRGKRZSA-N -1 0 323.393 -0.090 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@H]2CCS(=O)(=O)C2)CCO1 ZINC001593985107 956762135 /nfs/dbraw/zinc/76/21/35/956762135.db2.gz CXERNQSAAGGRIH-PWSUYJOCSA-N -1 0 307.368 -0.777 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CC(=O)NCC(F)(F)F)CCO1 ZINC001593986302 956787917 /nfs/dbraw/zinc/78/79/17/956787917.db2.gz SVMBJHXWRJCIMM-SNVBAGLBSA-N -1 0 314.260 -0.533 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C[C@@H]2CN(C3CC3)C(=O)O2)CCO1 ZINC001593986465 956792540 /nfs/dbraw/zinc/79/25/40/956792540.db2.gz XLHILSSUJBHUJI-BXUZGUMPSA-N -1 0 314.338 -0.228 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CC(=O)Nc2nccs2)CCO1 ZINC001593986505 956792869 /nfs/dbraw/zinc/79/28/69/956792869.db2.gz YDMNCQFZTSPTKD-GFCCVEGCSA-N -1 0 315.351 -0.116 20 0 DBADRM COC[C@]1(C)CN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CCO1 ZINC001593986635 956795444 /nfs/dbraw/zinc/79/54/44/956795444.db2.gz CYAOPDOQSAPWOV-RNCFNFMXSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@]1(C)CN(C(=O)C(=O)N(C)CCC(=O)[O-])CCO1 ZINC001593986587 956795783 /nfs/dbraw/zinc/79/57/83/956795783.db2.gz AVQNBAOXXNLPPC-ZDUSSCGKSA-N -1 0 302.327 -0.817 20 0 DBADRM COCC1(NC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001593987538 956801660 /nfs/dbraw/zinc/80/16/60/956801660.db2.gz DTAPVVQHXZYKHW-SNVBAGLBSA-N -1 0 313.354 -0.070 20 0 DBADRM COCC1(NC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001593987536 956802462 /nfs/dbraw/zinc/80/24/62/956802462.db2.gz DTAPVVQHXZYKHW-JTQLQIEISA-N -1 0 313.354 -0.070 20 0 DBADRM CC1(C)CN(C(=O)C2(C(=O)[O-])CCOCC2)CCN1CCO ZINC001589227133 956810020 /nfs/dbraw/zinc/81/00/20/956810020.db2.gz RIIUQRCNJJAXGR-UHFFFAOYSA-N -1 0 314.382 -0.217 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N(C)CCC(=O)[O-])C[C@@H](C)O1 ZINC001593989303 956816170 /nfs/dbraw/zinc/81/61/70/956816170.db2.gz GWVXIGZUVLUDAL-NXEZZACHSA-N -1 0 302.327 -0.818 20 0 DBADRM COCC[C@H](C)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593990215 956832328 /nfs/dbraw/zinc/83/23/28/956832328.db2.gz YMXULORIXPIOAC-VIFPVBQESA-N -1 0 307.368 -0.193 20 0 DBADRM COCC[C@@H](NC(=O)C1(CC(=O)[O-])CCOCC1)C(=O)OC ZINC001593990731 956840495 /nfs/dbraw/zinc/84/04/95/956840495.db2.gz NNOMLAXHEYXMBT-SNVBAGLBSA-N -1 0 317.338 -0.048 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)CNC(=O)Cc2ccc(O)cc2)C1 ZINC001594707868 956853521 /nfs/dbraw/zinc/85/35/21/956853521.db2.gz PYIBJOCIWRGUDS-LLVKDONJSA-N -1 0 306.318 -0.016 20 0 DBADRM COCCCS(=O)(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593994712 956870002 /nfs/dbraw/zinc/87/00/02/956870002.db2.gz CWMKFTBXZREGTF-SNVBAGLBSA-N -1 0 322.383 -0.592 20 0 DBADRM C[C@@]1(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)CCS(=O)(=O)N1 ZINC001589240643 956883258 /nfs/dbraw/zinc/88/32/58/956883258.db2.gz YUEDMGILOKBXMC-SKDRFNHKSA-N -1 0 304.368 -0.219 20 0 DBADRM CC1(C)OCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001589240761 956884207 /nfs/dbraw/zinc/88/42/07/956884207.db2.gz XTMXGCHCZSQMKA-ZJUUUORDSA-N -1 0 314.338 -0.770 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CCC[C@@]1(C)NC(=O)NC1=O ZINC001593996756 956900182 /nfs/dbraw/zinc/90/01/82/956900182.db2.gz OTYRXTTVUPVJPF-CYBMUJFWSA-N -1 0 315.326 -0.686 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)Cn1nnc2ccccc2c1=O ZINC001594714295 956907158 /nfs/dbraw/zinc/90/71/58/956907158.db2.gz FGBFLMKDICZWLD-UHFFFAOYSA-N -1 0 314.261 -0.149 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(C(=O)NCCSCC(=O)[O-])C1 ZINC000389442516 972225421 /nfs/dbraw/zinc/22/54/21/972225421.db2.gz JUCNAHVZSSLIDX-LBPRGKRZSA-N -1 0 303.384 -0.028 20 0 DBADRM O=C([O-])C(=O)COC(=O)Cn1cc(Br)ccc1=O ZINC001594714826 956914716 /nfs/dbraw/zinc/91/47/16/956914716.db2.gz OIQFGEKYDFFBMC-UHFFFAOYSA-N -1 0 318.079 -0.192 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001589245862 956917065 /nfs/dbraw/zinc/91/70/65/956917065.db2.gz SXAFPDDXQPDMSF-YAMSLAJTSA-N -1 0 301.339 -0.400 20 0 DBADRM CC1(CO)CCN(C(=O)C(=O)NCCCCC(=O)[O-])CC1 ZINC001589246081 956920093 /nfs/dbraw/zinc/92/00/93/956920093.db2.gz YQGGCGLNXPMWGQ-UHFFFAOYSA-N -1 0 300.355 -0.022 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@@]1(C)CO ZINC001594000750 956927036 /nfs/dbraw/zinc/92/70/36/956927036.db2.gz CHMQPQVODDWWEY-AWEZNQCLSA-N -1 0 316.354 -0.691 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@H](C)[C@@H]1CO ZINC001594001131 956930201 /nfs/dbraw/zinc/93/02/01/956930201.db2.gz LUMUPAUINNLMMK-QWRGUYRKSA-N -1 0 316.354 -0.835 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O ZINC001594002055 956937748 /nfs/dbraw/zinc/93/77/48/956937748.db2.gz ZRVMMYUMUUDEDQ-CABZTGNLSA-N -1 0 316.354 -0.788 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@@H](C)CS(C)(=O)=O ZINC001594004566 956950513 /nfs/dbraw/zinc/95/05/13/956950513.db2.gz QADLMFMRADGZAE-VIFPVBQESA-N -1 0 310.372 -0.448 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCCCc1ncn(C)n1 ZINC001594005385 956965323 /nfs/dbraw/zinc/96/53/23/956965323.db2.gz REOUZQIZOYBIKK-UHFFFAOYSA-N -1 0 313.358 -0.120 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCC[C@H]1CC(=O)N(C)C1 ZINC001594005680 956970649 /nfs/dbraw/zinc/97/06/49/956970649.db2.gz VQDNZWUFUAYWOJ-NSHDSACASA-N -1 0 315.370 -0.013 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCc1nc(N(C)C)no1 ZINC001594005746 956970869 /nfs/dbraw/zinc/97/08/69/956970869.db2.gz XTMYDDVRPYDXNR-UHFFFAOYSA-N -1 0 315.330 -0.232 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NC1CN(c2ccncn2)C1 ZINC001594005830 956972261 /nfs/dbraw/zinc/97/22/61/956972261.db2.gz ZLBBBYIDNYUJMV-UHFFFAOYSA-N -1 0 323.353 -0.202 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCCN1CCO[C@@H](C)C1 ZINC001594005771 956972745 /nfs/dbraw/zinc/97/27/45/956972745.db2.gz XVTYPJXBPOUTTB-LBPRGKRZSA-N -1 0 317.386 -0.160 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1cc(C(=O)OC)nn1C ZINC001594006591 956978088 /nfs/dbraw/zinc/97/80/88/956978088.db2.gz COHVFSIBTQDQLF-UHFFFAOYSA-N -1 0 313.310 -0.230 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2cccc(Nc3nn[nH]n3)c2)CCOC1 ZINC001594723789 956982508 /nfs/dbraw/zinc/98/25/08/956982508.db2.gz KTZTYWBDBXZIKQ-CYBMUJFWSA-N -1 0 318.293 -0.083 20 0 DBADRM CC1=C(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)Cn2nnnc2N1C ZINC001589256112 956990047 /nfs/dbraw/zinc/99/00/47/956990047.db2.gz HELKFXUARURVTM-CYBMUJFWSA-N -1 0 306.326 -0.280 20 0 DBADRM CC1=C(C(=O)Nc2cc(C(=O)[O-])n[nH]2)S(=O)(=O)CCO1 ZINC001589256122 956990093 /nfs/dbraw/zinc/99/00/93/956990093.db2.gz HNRUYSGRPLXAGP-UHFFFAOYSA-N -1 0 301.280 -0.277 20 0 DBADRM CC1=C(C(=O)N2CCC[C@H](C(=O)[O-])C2)S(=O)(=O)CCO1 ZINC001589256381 956994716 /nfs/dbraw/zinc/99/47/16/956994716.db2.gz NPMGHPHYKMALNX-VIFPVBQESA-N -1 0 303.336 -0.014 20 0 DBADRM CC1=C(C(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@@H](C)n2nnnc2N1C ZINC001589256453 956996431 /nfs/dbraw/zinc/99/64/31/956996431.db2.gz QNISVQWNXWVTFJ-RKDXNWHRSA-N -1 0 322.325 -0.730 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)C1(C(=O)OC)CCC1 ZINC001594011477 957004824 /nfs/dbraw/zinc/00/48/24/957004824.db2.gz VXJOWMGNXZWARS-UHFFFAOYSA-N -1 0 323.367 -0.165 20 0 DBADRM CC1=NO[C@@H](CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001589256894 957005922 /nfs/dbraw/zinc/00/59/22/957005922.db2.gz NYKJLIUAEPQUHM-SECBINFHSA-N -1 0 318.351 -0.453 20 0 DBADRM COCCN1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC001594014365 957015047 /nfs/dbraw/zinc/01/50/47/957015047.db2.gz BAHKWAWFMOGVKY-NSHDSACASA-N -1 0 321.399 -0.956 20 0 DBADRM COCCN1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001594015439 957031790 /nfs/dbraw/zinc/03/17/90/957031790.db2.gz ZSOANAVVNIWJSX-UHFFFAOYSA-N -1 0 300.355 -0.342 20 0 DBADRM COCCNC(=O)c1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC001594015945 957034130 /nfs/dbraw/zinc/03/41/30/957034130.db2.gz CCFDWIQYDHFWGS-UHFFFAOYSA-N -1 0 323.305 -0.798 20 0 DBADRM COCCOC[C@@H]1CC[N@@H+]([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001594017298 957043252 /nfs/dbraw/zinc/04/32/52/957043252.db2.gz FISACDJRFWUWMJ-NEPJUHHUSA-N -1 0 300.355 -0.343 20 0 DBADRM C[C@H]1[C@@H](CO)CCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001589262570 957046168 /nfs/dbraw/zinc/04/61/68/957046168.db2.gz PKQBTAMXDVNYRG-WDEREUQCSA-N -1 0 304.343 -0.484 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC001589262615 957048637 /nfs/dbraw/zinc/04/86/37/957048637.db2.gz QAKKVONJVUKVPZ-DYCLVXDSSA-N -1 0 304.368 -0.713 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001589262720 957050218 /nfs/dbraw/zinc/05/02/18/957050218.db2.gz SMGFJUWNSSTGON-RDLWGGRYSA-N -1 0 300.340 -0.656 20 0 DBADRM C[C@@H]1[C@H](CO)CCN1C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589262979 957057089 /nfs/dbraw/zinc/05/70/89/957057089.db2.gz WEOVMZDVOYLHMA-ZJUUUORDSA-N -1 0 319.379 -0.505 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001589263323 957064993 /nfs/dbraw/zinc/06/49/93/957064993.db2.gz JGKHXRYGCBPGPA-VIFPVBQESA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589263419 957066163 /nfs/dbraw/zinc/06/61/63/957066163.db2.gz LYGSYDSJULQHIJ-VIFPVBQESA-N -1 0 307.306 -0.717 20 0 DBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C1 ZINC001594019211 957069188 /nfs/dbraw/zinc/06/91/88/957069188.db2.gz VBJWEMTVVVAJRF-BLTAXRJOSA-N -1 0 315.366 -0.030 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC001594736205 957072106 /nfs/dbraw/zinc/07/21/06/957072106.db2.gz APNUXJAKLFCKPI-LLVKDONJSA-N -1 0 320.349 -0.294 20 0 DBADRM CC(C)n1[nH]cnc1=NC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589265127 957074600 /nfs/dbraw/zinc/07/46/00/957074600.db2.gz BTTMGTFVKJDETR-NXEZZACHSA-N -1 0 323.353 -0.211 20 0 DBADRM COCCS(=O)(=O)CC(=O)Nc1cccnc1C(=O)[O-] ZINC001594021546 957083623 /nfs/dbraw/zinc/08/36/23/957083623.db2.gz FOGVGCGXBNDVKH-UHFFFAOYSA-N -1 0 302.308 -0.221 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001594021517 957083690 /nfs/dbraw/zinc/08/36/90/957083690.db2.gz DCJFTRNTMOFQBM-ZJUUUORDSA-N -1 0 307.368 -0.241 20 0 DBADRM Cn1cc(Br)cc1C(=O)NCC(=O)NCC(=O)[O-] ZINC000035384270 957208035 /nfs/dbraw/zinc/20/80/35/957208035.db2.gz SVBLMMUBGYQSLG-UHFFFAOYSA-N -1 0 318.127 -0.282 20 0 DBADRM CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000036825334 957238598 /nfs/dbraw/zinc/23/85/98/957238598.db2.gz OPPMBPBRYRJUOW-JTQLQIEISA-N -1 0 316.335 -0.888 20 0 DBADRM COC(=O)CNS(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC000036889103 957243219 /nfs/dbraw/zinc/24/32/19/957243219.db2.gz WNZWGMIEKUKANN-UHFFFAOYSA-N -1 0 317.319 -0.226 20 0 DBADRM C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485361822 1013154614 /nfs/dbraw/zinc/15/46/14/1013154614.db2.gz NHONPHFUUGCRTB-DTWKUNHWSA-N -1 0 310.358 -0.885 20 0 DBADRM CNC(=O)C1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC000037732077 957323093 /nfs/dbraw/zinc/32/30/93/957323093.db2.gz QKQWYTDZJQEYSV-UHFFFAOYSA-N -1 0 316.339 -0.745 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000037828089 957330314 /nfs/dbraw/zinc/33/03/14/957330314.db2.gz JTIMEEFZRNJXGB-WDEREUQCSA-N -1 0 318.395 -0.019 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000038058655 957352705 /nfs/dbraw/zinc/35/27/05/957352705.db2.gz IMHPVDSYYBICCU-YFKPBYRVSA-N -1 0 309.321 -0.742 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000040162630 957360273 /nfs/dbraw/zinc/36/02/73/957360273.db2.gz CTXBDYSJLRUJBT-XCBNKYQSSA-N -1 0 301.320 -0.346 20 0 DBADRM NS(=O)(=O)CCNC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000040579028 957378362 /nfs/dbraw/zinc/37/83/62/957378362.db2.gz DMNZGHJGFRTXCP-UHFFFAOYSA-N -1 0 317.323 -0.440 20 0 DBADRM Cc1oc(CNC(=O)NCCNS(C)(=O)=O)cc1C(=O)[O-] ZINC000040578781 957378451 /nfs/dbraw/zinc/37/84/51/957378451.db2.gz OEDOROSQNJBEMS-UHFFFAOYSA-N -1 0 319.339 -0.365 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCCc2cnccn2)CC1 ZINC000390043253 972262586 /nfs/dbraw/zinc/26/25/86/972262586.db2.gz KOKFQRVMYSYEIZ-UHFFFAOYSA-N -1 0 314.367 -0.350 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000043511225 957434385 /nfs/dbraw/zinc/43/43/85/957434385.db2.gz FUUWWESEISDDCG-JTQLQIEISA-N -1 0 311.381 -0.181 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044694564 957449597 /nfs/dbraw/zinc/44/95/97/957449597.db2.gz LLKZHKHNLVZBMN-SSDOTTSWSA-N -1 0 300.340 -0.377 20 0 DBADRM COCC[C@H](NC(=O)c1cnc2sccn2c1=O)C(=O)[O-] ZINC000052784224 957511974 /nfs/dbraw/zinc/51/19/74/957511974.db2.gz NUGBKOJGNLUWLJ-QMMMGPOBSA-N -1 0 311.319 -0.025 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)NCCOCCO)cc1 ZINC000052925590 957515459 /nfs/dbraw/zinc/51/54/59/957515459.db2.gz RCXXIQFKBUVLEC-UHFFFAOYSA-N -1 0 303.336 -0.399 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)NCCCS(N)(=O)=O)C1 ZINC000062876171 957622528 /nfs/dbraw/zinc/62/25/28/957622528.db2.gz BYJQEOXDNQDWFE-LLVKDONJSA-N -1 0 307.372 -0.439 20 0 DBADRM CC(=O)N[C@@H](CSCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC000069555251 957652489 /nfs/dbraw/zinc/65/24/89/957652489.db2.gz BKKYZFALVNNMST-QMMMGPOBSA-N -1 0 317.367 -0.361 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@H](O)c2cccc(F)c2)nn1 ZINC001574738105 957674181 /nfs/dbraw/zinc/67/41/81/957674181.db2.gz LFZCVOOLWIQIOK-NSHDSACASA-N -1 0 308.269 -0.035 20 0 DBADRM Cc1cc(=O)n2nc(CN[C@]3(C(=O)[O-])CCOC3)sc2n1 ZINC001594271350 957677972 /nfs/dbraw/zinc/67/79/72/957677972.db2.gz IVJJAGHLALBGNA-GFCCVEGCSA-N -1 0 310.335 -0.207 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594271971 957682856 /nfs/dbraw/zinc/68/28/56/957682856.db2.gz RPXCGYCLSQJLMV-JTQLQIEISA-N -1 0 321.333 -0.045 20 0 DBADRM COCCS(=O)(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594023480 957686193 /nfs/dbraw/zinc/68/61/93/957686193.db2.gz BPPBTQZVTYKPCU-SQLBVSGCSA-N -1 0 307.368 -0.035 20 0 DBADRM COCCn1cc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])nn1 ZINC001594024531 957697186 /nfs/dbraw/zinc/69/71/86/957697186.db2.gz PCKYJEIMWSQEBC-LLVKDONJSA-N -1 0 319.321 -0.255 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCC[C@H]2CNC(=O)C2)c1=O ZINC001574746426 957707573 /nfs/dbraw/zinc/70/75/73/957707573.db2.gz YOBGMDCNBLFMCF-SECBINFHSA-N -1 0 307.306 -0.811 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccccc1 ZINC000390451865 972286041 /nfs/dbraw/zinc/28/60/41/972286041.db2.gz DNKQRXYGBKSNQV-UWVGGRQHSA-N -1 0 305.290 -0.431 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)[C@]1(C(=O)[O-])C[C@H]1C)C2 ZINC001594025224 957710078 /nfs/dbraw/zinc/71/00/78/957710078.db2.gz GVHMOTLHQHWUHI-OTYXRUKQSA-N -1 0 308.338 -0.080 20 0 DBADRM COCCn1cc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001594025556 957715189 /nfs/dbraw/zinc/71/51/89/957715189.db2.gz VKBHDJPRGOQXJL-SNVBAGLBSA-N -1 0 311.294 -0.628 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000071271649 957715637 /nfs/dbraw/zinc/71/56/37/957715637.db2.gz MACSEFFKCRYCOT-SECBINFHSA-N -1 0 303.336 -0.021 20 0 DBADRM COC(=O)C[C@H](NC(=O)CN1CCCCCC1=O)C(=O)[O-] ZINC000071337260 957719877 /nfs/dbraw/zinc/71/98/77/957719877.db2.gz GLQWOGGTVGPOCA-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(C)n1C ZINC001594276241 957720829 /nfs/dbraw/zinc/72/08/29/957720829.db2.gz VZRNVEDKRSRRMQ-NSHDSACASA-N -1 0 314.363 -0.034 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(C)n1C ZINC001594276240 957720855 /nfs/dbraw/zinc/72/08/55/957720855.db2.gz VZRNVEDKRSRRMQ-LLVKDONJSA-N -1 0 314.363 -0.034 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC001330605294 957724220 /nfs/dbraw/zinc/72/42/20/957724220.db2.gz CWJANIVDQBUJAR-CYBMUJFWSA-N -1 0 311.382 -0.234 20 0 DBADRM Cc1nn(CCS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c(=O)o1 ZINC001574761304 957736470 /nfs/dbraw/zinc/73/64/70/957736470.db2.gz GCYIRNRXTKMENE-MRVPVSSYSA-N -1 0 305.312 -0.976 20 0 DBADRM CON(C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)[C@H](C)C(=O)[O-] ZINC001594032831 957776250 /nfs/dbraw/zinc/77/62/50/957776250.db2.gz HTKGEZXAJUKYMC-BDAKNGLRSA-N -1 0 310.310 -0.364 20 0 DBADRM COCc1nn(C)cc1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001594033762 957786846 /nfs/dbraw/zinc/78/68/46/957786846.db2.gz XWFAROLMANHFQM-SNVBAGLBSA-N -1 0 311.294 -0.591 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC(N3CCNC3=O)CC2)[nH]n1 ZINC001574788159 957794028 /nfs/dbraw/zinc/79/40/28/957794028.db2.gz ONWOWNAXKHRMBD-UHFFFAOYSA-N -1 0 307.310 -0.262 20 0 DBADRM N#Cc1cncc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)c1 ZINC000390690859 972299272 /nfs/dbraw/zinc/29/92/72/972299272.db2.gz AJSHDBDQBHRNGJ-UHFFFAOYSA-N -1 0 324.362 -0.266 20 0 DBADRM CON(C(=O)Cc1c(C)[nH]c2ccnn2c1=O)[C@@H](C)C(=O)[O-] ZINC001594038563 957839017 /nfs/dbraw/zinc/83/90/17/957839017.db2.gz XCPWAWHNCJIYHP-QMMMGPOBSA-N -1 0 308.294 -0.263 20 0 DBADRM Cc1cc(C)c(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(=O)[nH]1 ZINC001594294042 957851399 /nfs/dbraw/zinc/85/13/99/957851399.db2.gz LIRNGPQARCBRNZ-SNVBAGLBSA-N -1 0 321.333 -0.047 20 0 DBADRM CN1CCN(C(=O)Cn2cc(CC(C)(C)C(=O)[O-])nn2)CC1 ZINC001598606983 1017335153 /nfs/dbraw/zinc/33/51/53/1017335153.db2.gz FTHZTSCDZQQUGZ-UHFFFAOYSA-N -1 0 309.370 -0.295 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001594042017 957881428 /nfs/dbraw/zinc/88/14/28/957881428.db2.gz JASIFBZZUFDOCV-LPEHRKFASA-N -1 0 302.327 -0.219 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594042006 957881435 /nfs/dbraw/zinc/88/14/35/957881435.db2.gz JASIFBZZUFDOCV-GUBZILKMSA-N -1 0 302.327 -0.219 20 0 DBADRM Cc1cc(C)n2nc(NC(=O)NC[C@@](C)(O)C(=O)[O-])nc2n1 ZINC001594299464 957891016 /nfs/dbraw/zinc/89/10/16/957891016.db2.gz AXTYFRHUIGMZKH-GFCCVEGCSA-N -1 0 308.298 -0.302 20 0 DBADRM Cc1cc(C)n(CCCNC(=O)C(=O)N(C)CCC(=O)[O-])n1 ZINC001594299508 957893156 /nfs/dbraw/zinc/89/31/56/957893156.db2.gz DCYKMONKNKEINR-UHFFFAOYSA-N -1 0 310.354 -0.061 20 0 DBADRM CO[C@@H]1CCN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001594042804 957895782 /nfs/dbraw/zinc/89/57/82/957895782.db2.gz IKPDVFJCZZKZLX-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CON1CCC(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001594043906 957903160 /nfs/dbraw/zinc/90/31/60/957903160.db2.gz MZWJHWHUYRMJFI-NSHDSACASA-N -1 0 313.354 -0.548 20 0 DBADRM Cc1cc(C[C@H](C)NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)[nH]n1 ZINC001594300911 957907755 /nfs/dbraw/zinc/90/77/55/957907755.db2.gz ZKTZHSZSCLSDOA-WPRPVWTQSA-N -1 0 308.338 -0.302 20 0 DBADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H]([NH3+])CC(=O)[O-] ZINC000085815708 957912471 /nfs/dbraw/zinc/91/24/71/957912471.db2.gz VNNXPXRAPMEXEZ-LURJTMIESA-N -1 0 310.335 -0.255 20 0 DBADRM CO[C@H]1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC001594045348 957913994 /nfs/dbraw/zinc/91/39/94/957913994.db2.gz AEUYCEUGHVGUDT-JTQLQIEISA-N -1 0 314.338 -0.769 20 0 DBADRM Cc1cc(CCNC(=O)c2cccn(CC(=O)[O-])c2=O)nn1C ZINC001594302320 957919448 /nfs/dbraw/zinc/91/94/48/957919448.db2.gz JOTPTLPOTCHMSB-UHFFFAOYSA-N -1 0 318.333 -0.053 20 0 DBADRM COc1c(C(=O)NCCOCCOCC(=O)[O-])cnn1C ZINC001594047083 957940268 /nfs/dbraw/zinc/94/02/68/957940268.db2.gz MYRDVDDYAJXUAR-UHFFFAOYSA-N -1 0 301.299 -0.724 20 0 DBADRM Cc1cc(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)ncn1 ZINC001594303926 957940616 /nfs/dbraw/zinc/94/06/16/957940616.db2.gz FQMQKZUBEOMKMP-LLVKDONJSA-N -1 0 306.322 -0.276 20 0 DBADRM O=C([O-])C1(NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CCCC1 ZINC001574826924 957941630 /nfs/dbraw/zinc/94/16/30/957941630.db2.gz BCEGBPDXTUXSMB-MRVPVSSYSA-N -1 0 323.309 -0.486 20 0 DBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@]1(C(=O)[O-])CCOC1 ZINC000085852885 957945765 /nfs/dbraw/zinc/94/57/65/957945765.db2.gz BQWXFXDVJNRLOV-GZMMTYOYSA-N -1 0 323.392 -0.733 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCC[C@@H]1CCOC1=O ZINC001574827745 957951333 /nfs/dbraw/zinc/95/13/33/957951333.db2.gz VAXBWFMLIFLKMM-ZJUUUORDSA-N -1 0 320.367 -0.287 20 0 DBADRM COc1c(F)cccc1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001594048842 957959753 /nfs/dbraw/zinc/95/97/53/957959753.db2.gz UXIRJNNVZYNRDL-LLVKDONJSA-N -1 0 307.299 -0.052 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])cn(C)c1=O ZINC001594313601 958051547 /nfs/dbraw/zinc/05/15/47/958051547.db2.gz NOVNHDDEJJDALH-VIFPVBQESA-N -1 0 309.322 -0.189 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC(=O)[O-])n(-c2ncccn2)n1 ZINC001594313603 958052080 /nfs/dbraw/zinc/05/20/80/958052080.db2.gz NSNLJBHQPJDHMT-UHFFFAOYSA-N -1 0 304.266 -0.890 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001345991260 958058580 /nfs/dbraw/zinc/05/85/80/958058580.db2.gz SJUVOPLUHXVHGK-DTWKUNHWSA-N -1 0 310.310 -0.594 20 0 DBADRM Cc1cc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)[nH]c(=O)n1 ZINC001594315738 958062584 /nfs/dbraw/zinc/06/25/84/958062584.db2.gz BTAWGXIEKNLKPB-MRVPVSSYSA-N -1 0 308.294 -0.248 20 0 DBADRM CN1C(=O)C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)C1=O ZINC000088774831 958068855 /nfs/dbraw/zinc/06/88/55/958068855.db2.gz ZJXIRSPXVQEQPC-RXMQYKEDSA-N -1 0 318.332 -0.518 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccc(-n2cncn2)nc1 ZINC001347170949 958076285 /nfs/dbraw/zinc/07/62/85/958076285.db2.gz MUBFBDLHTKTZMI-CYBMUJFWSA-N -1 0 305.294 -0.232 20 0 DBADRM COc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])nn1C ZINC001594061605 958094009 /nfs/dbraw/zinc/09/40/09/958094009.db2.gz BRTXTJYFXNBGIL-QMMMGPOBSA-N -1 0 312.326 -0.017 20 0 DBADRM COc1cc(N2CCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC2)ncn1 ZINC001594061995 958097522 /nfs/dbraw/zinc/09/75/22/958097522.db2.gz JMMHSYXDEJJDDI-CQSZACIVSA-N -1 0 324.337 -0.377 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)ccn1 ZINC001594062410 958101917 /nfs/dbraw/zinc/10/19/17/958101917.db2.gz YKAISLJBPKSKLZ-VIFPVBQESA-N -1 0 309.278 -0.659 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000091131033 958124866 /nfs/dbraw/zinc/12/48/66/958124866.db2.gz BWVRZRTWPPFJLR-VIFPVBQESA-N -1 0 322.408 -0.271 20 0 DBADRM COc1cc(NC(=O)c2cccn(CC(=O)[O-])c2=O)n(C)n1 ZINC001594065979 958132295 /nfs/dbraw/zinc/13/22/95/958132295.db2.gz ZFANAUBGOUDYPK-UHFFFAOYSA-N -1 0 306.278 -0.073 20 0 DBADRM COc1cc2c(cc1NC(=O)C(=O)NCC(=O)[O-])NC(=O)CC2 ZINC001594067962 958158304 /nfs/dbraw/zinc/15/83/04/958158304.db2.gz OVIRKORRAWAKHA-UHFFFAOYSA-N -1 0 321.289 -0.281 20 0 DBADRM Cc1cc(=O)[nH]c(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001594326539 958178440 /nfs/dbraw/zinc/17/84/40/958178440.db2.gz FTZKIRGCPXQQDH-QMMMGPOBSA-N -1 0 301.324 -0.826 20 0 DBADRM COc1ccc(-c2noc(CN3CCO[C@H](C(=O)[O-])C3)n2)nn1 ZINC001594074405 958202272 /nfs/dbraw/zinc/20/22/72/958202272.db2.gz TXHVBIFIUGIBAR-VIFPVBQESA-N -1 0 321.293 -0.179 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NCc1ccc(=O)[nH]n1 ZINC000391351405 972330574 /nfs/dbraw/zinc/33/05/74/972330574.db2.gz LSKNOQMGLCUUIL-UHFFFAOYSA-N -1 0 316.320 -0.185 20 0 DBADRM NC(=O)CCS(=O)(=O)CCN1CCC(CC(=O)[O-])CC1 ZINC000093680774 958251884 /nfs/dbraw/zinc/25/18/84/958251884.db2.gz SRLDQLBJLACOHI-UHFFFAOYSA-N -1 0 306.384 -0.537 20 0 DBADRM O=C([O-])CC1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000093681254 958254703 /nfs/dbraw/zinc/25/47/03/958254703.db2.gz GNWYOPGWTQBMEY-NSHDSACASA-N -1 0 318.395 -0.524 20 0 DBADRM Cc1nc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c(=O)[nH]c1C ZINC001549223943 958256151 /nfs/dbraw/zinc/25/61/51/958256151.db2.gz QMPJRQZMZBKZKW-XPTSAGLGSA-N -1 0 307.306 -0.440 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001549227810 958259698 /nfs/dbraw/zinc/25/96/98/958259698.db2.gz FRWSSVQWOORCRD-XPTSAGLGSA-N -1 0 323.353 -0.470 20 0 DBADRM CCn1nc(C)c(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001552396837 958308263 /nfs/dbraw/zinc/30/82/63/958308263.db2.gz BUUWTNWNZQTMNY-HZMBPMFUSA-N -1 0 323.353 -0.151 20 0 DBADRM Cc1ccc(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cn1 ZINC001594353269 958380300 /nfs/dbraw/zinc/38/03/00/958380300.db2.gz ASVDEROFXGPARS-NSHDSACASA-N -1 0 312.347 -0.357 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N2CCSC[C@H]2C(=O)[O-])C1=O ZINC000110294835 958388240 /nfs/dbraw/zinc/38/82/40/958388240.db2.gz VZFWIGSFBDTVRL-ZETCQYMHSA-N -1 0 315.351 -0.655 20 0 DBADRM Cc1ccc(CCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC001594357550 958422708 /nfs/dbraw/zinc/42/27/08/958422708.db2.gz QZSFKOSLEPUEAN-GFCCVEGCSA-N -1 0 305.334 -0.018 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)nc1 ZINC001594358687 958427077 /nfs/dbraw/zinc/42/70/77/958427077.db2.gz OMHDJLDYFQCKDQ-LLVKDONJSA-N -1 0 307.306 -0.682 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)nc1 ZINC001594358690 958427409 /nfs/dbraw/zinc/42/74/09/958427409.db2.gz OMHDJLDYFQCKDQ-NSHDSACASA-N -1 0 307.306 -0.682 20 0 DBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(CCO)CCO ZINC000113457390 958445853 /nfs/dbraw/zinc/44/58/53/958445853.db2.gz FLHYDFBUFQPFMP-UHFFFAOYSA-N -1 0 303.336 -0.331 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1cnsn1 ZINC000124619769 958538750 /nfs/dbraw/zinc/53/87/50/958538750.db2.gz GABUKTOBUKBWQJ-LURJTMIESA-N -1 0 305.337 -0.748 20 0 DBADRM Cc1nn(C)cc1CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000125494303 958566575 /nfs/dbraw/zinc/56/65/75/958566575.db2.gz TZBGXNNICGDNIL-UHFFFAOYSA-N -1 0 313.339 -0.512 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ncccc1O ZINC000125962609 958575562 /nfs/dbraw/zinc/57/55/62/958575562.db2.gz TVZUKKXNFPZNDR-MRVPVSSYSA-N -1 0 314.319 -0.499 20 0 DBADRM C[C@@]1(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CCCO1 ZINC000125953249 958575595 /nfs/dbraw/zinc/57/55/95/958575595.db2.gz HPDYXFFZXBKFPD-SKDRFNHKSA-N -1 0 305.352 -0.344 20 0 DBADRM C[C@@]1(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CCCO1 ZINC000125952812 958575696 /nfs/dbraw/zinc/57/56/96/958575696.db2.gz HPDYXFFZXBKFPD-CABZTGNLSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1CC(=O)NCC1CC1 ZINC000126299891 958585486 /nfs/dbraw/zinc/58/54/86/958585486.db2.gz RRNUKLVFKOZEHR-SNVBAGLBSA-N -1 0 304.368 -0.914 20 0 DBADRM CC(C)n1ncnc1CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000126335192 958587595 /nfs/dbraw/zinc/58/75/95/958587595.db2.gz VDUOAWRQTCLPRN-JTQLQIEISA-N -1 0 316.383 -0.067 20 0 DBADRM CCCCNC(=O)[C@H](C)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000126331551 958587929 /nfs/dbraw/zinc/58/79/29/958587929.db2.gz DJKLYJRKQWHABJ-QWRGUYRKSA-N -1 0 320.411 -0.135 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC(OCCO)CC2)c[nH]1 ZINC000128874349 958684544 /nfs/dbraw/zinc/68/45/44/958684544.db2.gz UAFJPECXCBWOGG-UHFFFAOYSA-N -1 0 318.351 -0.125 20 0 DBADRM CC(=O)N[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC000133949414 958827595 /nfs/dbraw/zinc/82/75/95/958827595.db2.gz SUJNLBKTLJFVJA-SECBINFHSA-N -1 0 315.351 -0.378 20 0 DBADRM CC(=O)NC1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000133938155 958828492 /nfs/dbraw/zinc/82/84/92/958828492.db2.gz DBVPYALCWVCWIK-UHFFFAOYSA-N -1 0 307.372 -0.762 20 0 DBADRM CC(=O)N[C@H]1CCN(S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000133945241 958828509 /nfs/dbraw/zinc/82/85/09/958828509.db2.gz ZEWAVUYWOVMDBU-ZETCQYMHSA-N -1 0 319.364 -0.260 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000134663449 958845368 /nfs/dbraw/zinc/84/53/68/958845368.db2.gz PQGBZIYXDTWGJM-UHFFFAOYSA-N -1 0 319.364 -0.306 20 0 DBADRM COCCN(C)CCNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000134706114 958854961 /nfs/dbraw/zinc/85/49/61/958854961.db2.gz MOWUSSICMPLNES-UHFFFAOYSA-N -1 0 323.396 -0.302 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccn1)c1ncn(C)n1 ZINC000392146946 972415917 /nfs/dbraw/zinc/41/59/17/972415917.db2.gz IGUYHIMLENIENT-ZETCQYMHSA-N -1 0 311.323 -0.052 20 0 DBADRM NS(=O)(=O)CCNC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000165736890 959293021 /nfs/dbraw/zinc/29/30/21/959293021.db2.gz OKCUHQNGLVOZRS-UHFFFAOYSA-N -1 0 307.372 -0.391 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2C[C@@H](CO)OC[C@@H]2C)c1C(=O)[O-] ZINC000167103329 959336056 /nfs/dbraw/zinc/33/60/56/959336056.db2.gz CXAXYDOWNFQNMN-XPUUQOCRSA-N -1 0 319.339 -0.813 20 0 DBADRM C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1scnc1C(=O)[O-] ZINC000168779429 959392887 /nfs/dbraw/zinc/39/28/87/959392887.db2.gz KIHRDHFSAFXJIP-AAODDVHNSA-N -1 0 312.394 -0.113 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)NC2(C(=O)[O-])CC2)CC1 ZINC000203661384 959650737 /nfs/dbraw/zinc/65/07/37/959650737.db2.gz DTAGCNMXFDTBLS-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC000222569250 959821142 /nfs/dbraw/zinc/82/11/42/959821142.db2.gz YYKGHDCVOBEJQI-BBBLOLIVSA-N -1 0 320.367 -0.841 20 0 DBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C(N)=O ZINC000223695581 959839861 /nfs/dbraw/zinc/83/98/61/959839861.db2.gz OTRJHVYYWVNEHO-LURJTMIESA-N -1 0 302.308 -0.455 20 0 DBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@@H](C)CC(N)=O ZINC000223824037 959841672 /nfs/dbraw/zinc/84/16/72/959841672.db2.gz WFZODWLQCUUSEX-ZETCQYMHSA-N -1 0 316.335 -0.064 20 0 DBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@H](C)CC(N)=O ZINC000223824092 959842296 /nfs/dbraw/zinc/84/22/96/959842296.db2.gz WFZODWLQCUUSEX-SSDOTTSWSA-N -1 0 316.335 -0.064 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C[C@@H](O)C(F)(F)F ZINC000226672825 959893229 /nfs/dbraw/zinc/89/32/29/959893229.db2.gz KCADNGRIPKESRA-NKWVEPMBSA-N -1 0 305.274 -0.517 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C[C@@H](O)C(F)(F)F ZINC000226672820 959893523 /nfs/dbraw/zinc/89/35/23/959893523.db2.gz KCADNGRIPKESRA-RNFRBKRXSA-N -1 0 305.274 -0.517 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CC(O)(C3CC3)C2)CC1 ZINC000227249323 959937688 /nfs/dbraw/zinc/93/76/88/959937688.db2.gz JHNHQOCQELVDIX-UHFFFAOYSA-N -1 0 304.368 -0.516 20 0 DBADRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(CO)C1 ZINC000227253825 959939114 /nfs/dbraw/zinc/93/91/14/959939114.db2.gz ZPNUCJXUJMZTLA-UHFFFAOYSA-N -1 0 316.291 -0.094 20 0 DBADRM CC(C)C1(O)CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000227252649 959939166 /nfs/dbraw/zinc/93/91/66/959939166.db2.gz XDMJEGBYZIAIEX-UHFFFAOYSA-N -1 0 306.384 -0.270 20 0 DBADRM CC1(O)CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000227250867 959939538 /nfs/dbraw/zinc/93/95/38/959939538.db2.gz RJKAMQFTWBZBLU-UHFFFAOYSA-N -1 0 301.320 -0.095 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC[C@@H]2CC[C@@H](O)C2)cn1 ZINC000227547392 959953219 /nfs/dbraw/zinc/95/32/19/959953219.db2.gz ZQDACEKFVPHFFO-RKDXNWHRSA-N -1 0 303.340 -0.593 20 0 DBADRM CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000228233313 960005437 /nfs/dbraw/zinc/00/54/37/960005437.db2.gz AVYIJAGFOSZMET-VXNVDRBHSA-N -1 0 323.396 -0.642 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CNC(=O)C2)c(F)c1 ZINC000229019534 960051065 /nfs/dbraw/zinc/05/10/65/960051065.db2.gz KMPDGLGTLBOZBD-ZETCQYMHSA-N -1 0 302.283 -0.309 20 0 DBADRM Cc1oc(C)c(S(=O)(=O)N[C@@H]2CNC(=O)C2)c1C(=O)[O-] ZINC000229018957 960051442 /nfs/dbraw/zinc/05/14/42/960051442.db2.gz PWWDZQWVEPLCJM-ZETCQYMHSA-N -1 0 302.308 -0.239 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)c2cc(C(=O)[O-])on2)CC1 ZINC000230048598 960119624 /nfs/dbraw/zinc/11/96/24/960119624.db2.gz STHQHLBUCXORBG-UHFFFAOYSA-N -1 0 303.296 -0.910 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)c2scnc2C(=O)[O-])C1=O ZINC000230225591 960131760 /nfs/dbraw/zinc/13/17/60/960131760.db2.gz HNNKPQNVVLBQCL-YFKPBYRVSA-N -1 0 305.337 -0.650 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000231017261 960177119 /nfs/dbraw/zinc/17/71/19/960177119.db2.gz ZSKNKFMQESWFER-UHFFFAOYSA-N -1 0 316.339 -0.159 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000231022719 960178629 /nfs/dbraw/zinc/17/86/29/960178629.db2.gz VKKZMXVIEYGGGJ-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM CC(C)[C@H](CCO)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000231070729 960186822 /nfs/dbraw/zinc/18/68/22/960186822.db2.gz WZMDOCLAERCPIA-JTQLQIEISA-N -1 0 305.356 -0.347 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)Cc1cncc(C)c1)C(=O)[O-] ZINC000232575956 960283772 /nfs/dbraw/zinc/28/37/72/960283772.db2.gz SOWMUSWHZPBMEX-NSHDSACASA-N -1 0 300.336 -0.106 20 0 DBADRM CCCCNC(=O)[C@H](C)[S@@](=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000232985888 960307552 /nfs/dbraw/zinc/30/75/52/960307552.db2.gz MGQIOOJFVZXECA-OEXNIHBPSA-N -1 0 306.384 -0.371 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)[C@@H](C)C(=O)NC1CCCC1)C(=O)[O-] ZINC000235129833 960391368 /nfs/dbraw/zinc/39/13/68/960391368.db2.gz SIGDEBFKJXNMST-QZYUWFNPSA-N -1 0 318.395 -0.228 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)[C@H](C)C(=O)NC(C)(C)C)C(=O)[O-] ZINC000235400236 960427961 /nfs/dbraw/zinc/42/79/61/960427961.db2.gz CXZBBKAMURSFCJ-FIMIAMGHSA-N -1 0 306.384 -0.372 20 0 DBADRM C[C@]1(C(N)=O)CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000235748930 960487495 /nfs/dbraw/zinc/48/74/95/960487495.db2.gz NOIPBNQCBKATNN-LBPRGKRZSA-N -1 0 319.383 -0.775 20 0 DBADRM Cn1cnc(CNc2ccc(S(N)(=O)=O)cc2C(=O)[O-])n1 ZINC000236145423 960556633 /nfs/dbraw/zinc/55/66/33/960556633.db2.gz KSSITTJYLUUSOB-UHFFFAOYSA-N -1 0 311.323 -0.227 20 0 DBADRM NC(=O)[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C1 ZINC000236284986 960561709 /nfs/dbraw/zinc/56/17/09/960561709.db2.gz OCMXMBHDVXCHBT-ZETCQYMHSA-N -1 0 313.335 -0.656 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccnc1Br ZINC000236421122 960572689 /nfs/dbraw/zinc/57/26/89/960572689.db2.gz MDHHJHAJBHMCKH-UHFFFAOYSA-N -1 0 316.111 -0.225 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccnc(Br)c1 ZINC000236421140 960573660 /nfs/dbraw/zinc/57/36/60/960573660.db2.gz NVDIREURCWMAMW-UHFFFAOYSA-N -1 0 316.111 -0.225 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)C(F)(F)C(F)F ZINC000236433867 960593993 /nfs/dbraw/zinc/59/39/93/960593993.db2.gz GFGBFQBKDXGQTD-RXMQYKEDSA-N -1 0 321.248 -0.013 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)CCNC(=O)c1cccs1 ZINC000236520993 960696820 /nfs/dbraw/zinc/69/68/20/960696820.db2.gz SJTQCERVSDEYCT-QMMMGPOBSA-N -1 0 300.336 -0.180 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000236538739 960702969 /nfs/dbraw/zinc/70/29/69/960702969.db2.gz MEYLMOUDSWYLTA-LURJTMIESA-N -1 0 308.212 -0.041 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c1 ZINC000236598431 960713295 /nfs/dbraw/zinc/71/32/95/960713295.db2.gz GFBZGYAWUUOQNF-IUCAKERBSA-N -1 0 305.283 -0.750 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2ccc(-c3nn[nH]n3)cn2)CCOC1 ZINC001571085742 961057355 /nfs/dbraw/zinc/05/73/55/961057355.db2.gz SJBCGYNBKWWSMI-LBPRGKRZSA-N -1 0 304.266 -0.765 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C[C@H](O)COc1ccccc1 ZINC000247355326 961193338 /nfs/dbraw/zinc/19/33/38/961193338.db2.gz CXQOEBGLFPIPPM-WCQYABFASA-N -1 0 308.334 -0.299 20 0 DBADRM O=C(CN1CCCC[C@@H]1C(=O)[O-])N[C@H]1CCS(=O)(=O)C1 ZINC000252437298 961270673 /nfs/dbraw/zinc/27/06/73/961270673.db2.gz VAGYZUUYKBZUGD-VHSXEESVSA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])C1(NC(=O)C2=NN(CCO)C(=O)CC2)CCCCC1 ZINC001571111809 961339325 /nfs/dbraw/zinc/33/93/25/961339325.db2.gz RWWUGSSKNAPLQM-UHFFFAOYSA-N -1 0 311.338 -0.139 20 0 DBADRM CN1CCN(CC(=O)N[C@@H](CC(=O)[O-])c2ccncc2)CC1 ZINC001598616039 1017348042 /nfs/dbraw/zinc/34/80/42/1017348042.db2.gz MVAHTTSBGXTAQZ-ZDUSSCGKSA-N -1 0 306.366 -0.039 20 0 DBADRM CC(C)(NC(=O)COc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC001571128313 961525073 /nfs/dbraw/zinc/52/50/73/961525073.db2.gz LJTFKSDHAYVMEA-UHFFFAOYSA-N -1 0 316.335 -0.308 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccccc2OCC(N)=O)C[C@@H](C(=O)[O-])O1 ZINC000262206725 961551987 /nfs/dbraw/zinc/55/19/87/961551987.db2.gz WDMNTHDSKKHABD-SKDRFNHKSA-N -1 0 322.317 -0.135 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001485573942 1013277157 /nfs/dbraw/zinc/27/71/57/1013277157.db2.gz KGCHCLNXUHWQJQ-DTWKUNHWSA-N -1 0 324.385 -0.652 20 0 DBADRM Cn1ncnc1C1(O)CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001574473770 961630949 /nfs/dbraw/zinc/63/09/49/961630949.db2.gz CAIKEDPPSZTDSA-NXEZZACHSA-N -1 0 308.338 -0.264 20 0 DBADRM CN(CC(=O)[O-])C(=O)CNc1ccc(S(N)(=O)=O)cc1F ZINC001571141366 961668335 /nfs/dbraw/zinc/66/83/35/961668335.db2.gz NAKDTKWMNMJZSG-UHFFFAOYSA-N -1 0 319.314 -0.572 20 0 DBADRM CS(=O)(=O)Cc1nc(C(=O)N[C@]2(C(=O)[O-])CCOC2)co1 ZINC001571141625 961672793 /nfs/dbraw/zinc/67/27/93/961672793.db2.gz ZRGYBVNJSPYDFV-LLVKDONJSA-N -1 0 318.307 -0.807 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC001571158573 961896387 /nfs/dbraw/zinc/89/63/87/961896387.db2.gz OEQDUFLNKXSODH-UHFFFAOYSA-N -1 0 323.353 -0.860 20 0 DBADRM CC(C)C[C@@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001588862767 962006661 /nfs/dbraw/zinc/00/66/61/962006661.db2.gz IWVVVUVSEYXDND-SECBINFHSA-N -1 0 319.339 -0.427 20 0 DBADRM COc1cc(C(=O)NC2(C(=O)[O-])CC2)ccc1OCC(N)=O ZINC000263128276 962282712 /nfs/dbraw/zinc/28/27/12/962282712.db2.gz GCARXWWYTNTGQB-UHFFFAOYSA-N -1 0 308.290 -0.094 20 0 DBADRM CN1CCOC[C@@H]1CN1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001598623233 1017355019 /nfs/dbraw/zinc/35/50/19/1017355019.db2.gz BIHRGJSLMDLTTD-VWYCJHECSA-N -1 0 311.338 -0.556 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C[C@H](CO)O1 ZINC000299948510 962949524 /nfs/dbraw/zinc/94/95/24/962949524.db2.gz CNJRVYWPXUBADO-RKDXNWHRSA-N -1 0 318.351 -0.506 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C[C@H](CO)O1 ZINC000299948509 962949983 /nfs/dbraw/zinc/94/99/83/962949983.db2.gz CNJRVYWPXUBADO-DTWKUNHWSA-N -1 0 318.351 -0.506 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@H](CO)O1 ZINC000299960949 962952997 /nfs/dbraw/zinc/95/29/97/962952997.db2.gz WPCHNBIEUBGZLH-MWLCHTKSSA-N -1 0 322.383 -0.891 20 0 DBADRM COC(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000308154062 963262472 /nfs/dbraw/zinc/26/24/72/963262472.db2.gz NKHVIADVWXOJBF-UHFFFAOYSA-N -1 0 303.296 -0.586 20 0 DBADRM CC(=O)NCCN(C)c1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000308151700 963262721 /nfs/dbraw/zinc/26/27/21/963262721.db2.gz JCHVNEVFDBRPMG-UHFFFAOYSA-N -1 0 315.351 -0.396 20 0 DBADRM CNC(=O)[C@]1(C(F)(F)F)CCN(CC(=O)NCC(=O)[O-])C1 ZINC001598632600 1017361699 /nfs/dbraw/zinc/36/16/99/1017361699.db2.gz HBMNAUWKCPYQMX-JTQLQIEISA-N -1 0 311.260 -0.812 20 0 DBADRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000311491792 963483353 /nfs/dbraw/zinc/48/33/53/963483353.db2.gz JUCLLDOXSGSWTM-PHDIDXHHSA-N -1 0 303.258 -0.057 20 0 DBADRM CN(C(=O)NCC(F)(F)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000311661488 963501497 /nfs/dbraw/zinc/50/14/97/963501497.db2.gz NYQYNTPXBNIJLO-LURJTMIESA-N -1 0 300.283 -0.465 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)cc1F ZINC000312286997 963551290 /nfs/dbraw/zinc/55/12/90/963551290.db2.gz TXDLTCCXGXBHLI-AOOOYVTPSA-N -1 0 305.283 -0.750 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)N1CCC(C(=O)[O-])CC1 ZINC000312332322 963554067 /nfs/dbraw/zinc/55/40/67/963554067.db2.gz JSZHEPPMTOQMME-UHFFFAOYSA-N -1 0 307.372 -0.439 20 0 DBADRM COC[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccn1)OC ZINC000312365629 963556458 /nfs/dbraw/zinc/55/64/58/963556458.db2.gz ZWWRXPRPUMPESM-VIFPVBQESA-N -1 0 304.324 -0.281 20 0 DBADRM CCN(CCOCCO)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000312372826 963557731 /nfs/dbraw/zinc/55/77/31/963557731.db2.gz IOSQDWXGJDWZQN-UHFFFAOYSA-N -1 0 324.380 -0.139 20 0 DBADRM Cn1ncc(C(=O)N[C@](C)(CO)C(=O)[O-])c1Br ZINC000313507696 963652236 /nfs/dbraw/zinc/65/22/36/963652236.db2.gz MINPODUKHIWSFH-SECBINFHSA-N -1 0 306.116 -0.252 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000313537165 963664178 /nfs/dbraw/zinc/66/41/78/963664178.db2.gz IINBXQWAAHQKMZ-JTQLQIEISA-N -1 0 322.270 -0.152 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-] ZINC000313560868 963666056 /nfs/dbraw/zinc/66/60/56/963666056.db2.gz HMDPHQIKTWKOFI-LBPRGKRZSA-N -1 0 301.320 -0.265 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCC(O)(CO)CC1 ZINC000313613948 963671057 /nfs/dbraw/zinc/67/10/57/963671057.db2.gz BQOLAFOHFBWMRW-UHFFFAOYSA-N -1 0 319.335 -0.206 20 0 DBADRM CN(C(=O)c1cc(C(=O)[O-])on1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000314097948 963710304 /nfs/dbraw/zinc/71/03/04/963710304.db2.gz BHGVKTRHVKJCCW-ZETCQYMHSA-N -1 0 317.323 -0.521 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000314157789 963718144 /nfs/dbraw/zinc/71/81/44/963718144.db2.gz XAZFLQCAZGOZMJ-MNOVXSKESA-N -1 0 310.281 -0.398 20 0 DBADRM C[C@@H](Oc1ccccc1C#N)C(=O)NCC(=O)NCC(=O)[O-] ZINC000314195026 963724261 /nfs/dbraw/zinc/72/42/61/963724261.db2.gz HFQITAJHXXUNCR-SECBINFHSA-N -1 0 305.290 -0.357 20 0 DBADRM CCN(CCOCCO)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000314356600 963744437 /nfs/dbraw/zinc/74/44/37/963744437.db2.gz OWHAQEMDGVDFMX-UHFFFAOYSA-N -1 0 320.367 -0.257 20 0 DBADRM COCC[C@@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000314825363 963816840 /nfs/dbraw/zinc/81/68/40/963816840.db2.gz RDOJPGVYXQSIQC-GFCCVEGCSA-N -1 0 318.351 -0.154 20 0 DBADRM CN(Cc1nncn1C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000314954830 963834673 /nfs/dbraw/zinc/83/46/73/963834673.db2.gz OVKRCRZAUOYKKM-UHFFFAOYSA-N -1 0 313.339 -0.328 20 0 DBADRM COCC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)C(=O)[O-] ZINC000315021300 963845778 /nfs/dbraw/zinc/84/57/78/963845778.db2.gz IDEXLCYVDCICAS-SECBINFHSA-N -1 0 313.310 -0.265 20 0 DBADRM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000315110887 963857357 /nfs/dbraw/zinc/85/73/57/963857357.db2.gz OBECYDHXMLBNGR-VIFPVBQESA-N -1 0 313.335 -0.321 20 0 DBADRM CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315350799 963887851 /nfs/dbraw/zinc/88/78/51/963887851.db2.gz HCALAIHKVHDWSU-UHFFFAOYSA-N -1 0 319.339 -0.092 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CN1CCCCCC1=O ZINC000315356524 963889108 /nfs/dbraw/zinc/88/91/08/963889108.db2.gz HZBFNSNYNWXZHL-JTQLQIEISA-N -1 0 311.338 -0.809 20 0 DBADRM CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315401444 963895009 /nfs/dbraw/zinc/89/50/09/963895009.db2.gz AQQRBCIENJOUCG-SSDOTTSWSA-N -1 0 303.296 -0.728 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)COc1ccccc1O ZINC000315426511 963898733 /nfs/dbraw/zinc/89/87/33/963898733.db2.gz OONVFDJSJOZQFZ-VIFPVBQESA-N -1 0 308.290 -0.427 20 0 DBADRM COCC[C@H](NC(=O)CCCN1C(=O)CN(C)C1=O)C(=O)[O-] ZINC000315435436 963900714 /nfs/dbraw/zinc/90/07/14/963900714.db2.gz LVDQPKWXEMZJAU-VIFPVBQESA-N -1 0 315.326 -0.734 20 0 DBADRM C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315443955 963902087 /nfs/dbraw/zinc/90/20/87/963902087.db2.gz QWLBCTCWDWUJDQ-MRVPVSSYSA-N -1 0 319.339 -0.628 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)CNC(=O)c2cccs2)nn1 ZINC000315672702 963924596 /nfs/dbraw/zinc/92/45/96/963924596.db2.gz AAICJADEOZSTHT-UHFFFAOYSA-N -1 0 323.334 -0.416 20 0 DBADRM O=C([O-])c1cn(CCNC2=NS(=O)(=O)c3ccccc32)nn1 ZINC000315703499 963927770 /nfs/dbraw/zinc/92/77/70/963927770.db2.gz FIGFUOOQNOJTOH-UHFFFAOYSA-N -1 0 321.318 -0.285 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)CCn2ccccc2=O)nn1 ZINC000315930043 963954354 /nfs/dbraw/zinc/95/43/54/963954354.db2.gz QTYRWVLNWAPSEB-UHFFFAOYSA-N -1 0 305.294 -0.656 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCc2ccccn2)nn1 ZINC000315968810 963959689 /nfs/dbraw/zinc/95/96/89/963959689.db2.gz XTWCWMAJMDHSBR-UHFFFAOYSA-N -1 0 304.310 -0.087 20 0 DBADRM CCCN(CC(=O)NC)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000316011248 963964856 /nfs/dbraw/zinc/96/48/56/963964856.db2.gz RYXPBTUMMSYPGX-UHFFFAOYSA-N -1 0 305.312 -0.481 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)Cn1nc2ccccn2c1=O ZINC000316023003 963966118 /nfs/dbraw/zinc/96/61/18/963966118.db2.gz GRJXGQJZQAJYRB-NXEZZACHSA-N -1 0 304.306 -0.135 20 0 DBADRM C[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000316123059 963979774 /nfs/dbraw/zinc/97/97/74/963979774.db2.gz DLPMRCCWTPWLGT-QMMMGPOBSA-N -1 0 303.340 -0.007 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000316387376 964008071 /nfs/dbraw/zinc/00/80/71/964008071.db2.gz KGQLQHBPWYKUAA-NKWVEPMBSA-N -1 0 307.349 -0.580 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)C(=O)[O-] ZINC000316902062 964070787 /nfs/dbraw/zinc/07/07/87/964070787.db2.gz YZKMBCYJBWPKRI-WDEREUQCSA-N -1 0 314.338 -0.233 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)c1 ZINC000316927759 964075261 /nfs/dbraw/zinc/07/52/61/964075261.db2.gz WFLZZFVBVRTIKZ-KOLCDFICSA-N -1 0 301.320 -0.642 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)CCO1 ZINC001598637056 1017364977 /nfs/dbraw/zinc/36/49/77/1017364977.db2.gz GDRMYLSTQGFBSR-AXFHLTTASA-N -1 0 313.354 -0.214 20 0 DBADRM CNC(=O)[C@@H]1CN(Cc2noc(CCCC(=O)[O-])n2)CCO1 ZINC001598638278 1017365098 /nfs/dbraw/zinc/36/50/98/1017365098.db2.gz XUOITJUVXXEOBK-VIFPVBQESA-N -1 0 312.326 -0.576 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1CCC(F)(F)C1 ZINC001486002237 1013538170 /nfs/dbraw/zinc/53/81/70/1013538170.db2.gz NAHAWNQQLXPGIQ-HTQZYQBOSA-N -1 0 319.312 -0.488 20 0 DBADRM CNC(=O)N[C@H]1CCCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001598652159 1017368841 /nfs/dbraw/zinc/36/88/41/1017368841.db2.gz HLAHWSFOXFQSSX-LPEHRKFASA-N -1 0 319.383 -0.427 20 0 DBADRM CNC(=O)NCCNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC001598650518 1017370108 /nfs/dbraw/zinc/37/01/08/1017370108.db2.gz HYVOEEQBHSYQIQ-UHFFFAOYSA-N -1 0 324.337 -0.188 20 0 DBADRM CNC(=O)NC[C@H]1CN([C@@H](C(=O)[O-])C2(OC)CCC2)CCO1 ZINC001598652364 1017370143 /nfs/dbraw/zinc/37/01/43/1017370143.db2.gz RDIBBZWZYOZIKH-QWRGUYRKSA-N -1 0 315.370 -0.362 20 0 DBADRM CNC(=O)NC[C@H]1CN(c2ncc(C(=O)[O-])s2)CCO1 ZINC001598654020 1017371873 /nfs/dbraw/zinc/37/18/73/1017371873.db2.gz ZEBYPULWXGRNPJ-ZETCQYMHSA-N -1 0 300.340 -0.025 20 0 DBADRM CNC(=O)N[C@@H]1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001598653624 1017372713 /nfs/dbraw/zinc/37/27/13/1017372713.db2.gz WKSOAXGTIBLDOM-MRVPVSSYSA-N -1 0 307.372 -0.570 20 0 DBADRM Cc1ccc(CC(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)cn1 ZINC001486060943 1013644455 /nfs/dbraw/zinc/64/44/55/1013644455.db2.gz DRHDDKXGQCEQKB-LLVKDONJSA-N -1 0 320.353 -0.977 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@H](CF)C(=O)[O-])C1CCOCC1 ZINC001599057824 1017501628 /nfs/dbraw/zinc/50/16/28/1017501628.db2.gz VMFMNJBEQFRVAI-NXEZZACHSA-N -1 0 313.347 -0.230 20 0 DBADRM COc1cc(S(=O)(=O)N[C@@H](C)C(N)=O)ccc1C(=O)[O-] ZINC001599457903 1017598920 /nfs/dbraw/zinc/59/89/20/1017598920.db2.gz SZXSZDCUKOHCIY-LURJTMIESA-N -1 0 302.308 -0.455 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599757176 1017624071 /nfs/dbraw/zinc/62/40/71/1017624071.db2.gz DFCILTLRIPVOCB-AXTSPUMRSA-N -1 0 304.368 -0.459 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)CCn2ccnc2)CCSC1 ZINC001601722122 1017869473 /nfs/dbraw/zinc/86/94/73/1017869473.db2.gz WLUYYNJOVIKURT-SNVBAGLBSA-N -1 0 305.381 -0.237 20 0 DBADRM O=C([O-])CCCNC(=S)NCCC(=O)N1CCOCC1 ZINC001601993293 1017904417 /nfs/dbraw/zinc/90/44/17/1017904417.db2.gz KFECIPJOONDXKM-UHFFFAOYSA-N -1 0 303.384 -0.436 20 0 DBADRM CC[C@@H](C)[C@H](O)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603511422 1018194830 /nfs/dbraw/zinc/19/48/30/1018194830.db2.gz ZAZXLAMJOQHVAS-NXEZZACHSA-N -1 0 321.395 -0.211 20 0 DBADRM C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000054309924 967538452 /nfs/dbraw/zinc/53/84/52/967538452.db2.gz NSDOYRKZXUNOLJ-VIFPVBQESA-N -1 0 300.336 -0.198 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc1F ZINC000090276795 967588303 /nfs/dbraw/zinc/58/83/03/967588303.db2.gz RHMVMRIKBBASPQ-NSHDSACASA-N -1 0 307.299 -0.052 20 0 DBADRM Cc1cn2nnc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)c2c(=O)[nH]1 ZINC000096033006 967604296 /nfs/dbraw/zinc/60/42/96/967604296.db2.gz NFYBJBYWAOUCBL-MRVPVSSYSA-N -1 0 305.294 -0.337 20 0 DBADRM O=C([O-])CSCC(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000128331064 967623218 /nfs/dbraw/zinc/62/32/18/967623218.db2.gz KTTBBJCNPIJDNL-LLVKDONJSA-N -1 0 301.324 -0.995 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000231841081 967739533 /nfs/dbraw/zinc/73/95/33/967739533.db2.gz VQVSHSVJSBJFGH-SECBINFHSA-N -1 0 321.399 -0.516 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001606321270 1018810171 /nfs/dbraw/zinc/81/01/71/1018810171.db2.gz FIEZVMNTVNWLGI-XVKPBYJWSA-N -1 0 311.381 -0.325 20 0 DBADRM COC(=O)CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606434836 1018835900 /nfs/dbraw/zinc/83/59/00/1018835900.db2.gz FHQYJSVLEVZASB-UHFFFAOYSA-N -1 0 305.312 -0.272 20 0 DBADRM C[C@@H]1CCCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@H]1C(=O)[O-] ZINC000300294188 967909939 /nfs/dbraw/zinc/90/99/39/967909939.db2.gz IBRHWAVVRJQDOJ-CKYFFXLPSA-N -1 0 318.395 -0.525 20 0 DBADRM Cc1nsc2ncn(CCS(=O)(=O)CC(=O)[O-])c(=O)c12 ZINC000312813471 967958479 /nfs/dbraw/zinc/95/84/79/967958479.db2.gz KEJRQKKRZQOGTD-UHFFFAOYSA-N -1 0 317.348 -0.339 20 0 DBADRM CC[C@H](CNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000313887654 967963407 /nfs/dbraw/zinc/96/34/07/967963407.db2.gz OOFIRBOAGFDMKL-NXEZZACHSA-N -1 0 321.399 -0.228 20 0 DBADRM CO[C@H]1CN(C(=O)CCCCNC(N)=O)[C@](C)(C(=O)[O-])C1 ZINC001606762225 1018874177 /nfs/dbraw/zinc/87/41/77/1018874177.db2.gz AOAQDWVDZJFCFF-RNCFNFMXSA-N -1 0 301.343 -0.084 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)CS(C)(=O)=O)C1 ZINC000315109092 967971875 /nfs/dbraw/zinc/97/18/75/967971875.db2.gz ISDKIMBKZJANQU-SKDRFNHKSA-N -1 0 322.383 -0.448 20 0 DBADRM COCCn1nc(C(=O)NCC2(C(=O)[O-])CCC2)ccc1=O ZINC000316496159 967980040 /nfs/dbraw/zinc/98/00/40/967980040.db2.gz PYUPZIVUAKSXHS-UHFFFAOYSA-N -1 0 309.322 -0.126 20 0 DBADRM CS(=O)(=O)NCCC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001607374070 1018995390 /nfs/dbraw/zinc/99/53/90/1018995390.db2.gz PXVXKBGWDXSSCP-FSPLSTOPSA-N -1 0 300.283 -0.992 20 0 DBADRM C[C@@H](C(=O)[O-])N(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000383012870 968105119 /nfs/dbraw/zinc/10/51/19/968105119.db2.gz CAFMHRRWRQDFHX-DTWKUNHWSA-N -1 0 304.368 -0.773 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000398836778 968280549 /nfs/dbraw/zinc/28/05/49/968280549.db2.gz NJWIRZGHFPKQPL-BBBLOLIVSA-N -1 0 304.368 -0.074 20 0 DBADRM COCCN(CCNC(=O)c1ccncc1)Cc1n[nH]c(=O)[n-]1 ZINC001486425677 1013837442 /nfs/dbraw/zinc/83/74/42/1013837442.db2.gz IXKBOCRHTBSSSP-UHFFFAOYSA-N -1 0 320.353 -0.216 20 0 DBADRM COCCN(CCNC(=O)[C@H]1CC1(F)F)Cc1n[nH]c(=O)[n-]1 ZINC001486428753 1013838885 /nfs/dbraw/zinc/83/88/85/1013838885.db2.gz RBQFFCZTLWADOT-MRVPVSSYSA-N -1 0 319.312 -0.270 20 0 DBADRM CC(C)C(=O)NCC1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001486610589 1013863670 /nfs/dbraw/zinc/86/36/70/1013863670.db2.gz PAPSIHQHNFXGRM-UHFFFAOYSA-N -1 0 311.342 -0.644 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001596181418 1017117103 /nfs/dbraw/zinc/11/71/03/1017117103.db2.gz RMHHSSRHDXBVHV-GUBZILKMSA-N -1 0 301.343 -0.263 20 0 DBADRM COCC(=O)NC[C@H](C)N(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001486784773 1013880953 /nfs/dbraw/zinc/88/09/53/1013880953.db2.gz CSMHMCGHAUNHFU-VIFPVBQESA-N -1 0 321.337 -0.754 20 0 DBADRM C[C@H](CNC(=O)C(C)(C)F)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001486785129 1013880990 /nfs/dbraw/zinc/88/09/90/1013880990.db2.gz OTOCEAFUELHQRV-ZCFIWIBFSA-N -1 0 315.305 -0.392 20 0 DBADRM CC(C)CC(=O)NC[C@@H](C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001486787144 1013881506 /nfs/dbraw/zinc/88/15/06/1013881506.db2.gz FLACTCREXDHUDK-SECBINFHSA-N -1 0 313.358 -0.302 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])s1 ZINC001589225055 1021201976 /nfs/dbraw/zinc/20/19/76/1021201976.db2.gz PMXMWKFSXCVDOD-LURJTMIESA-N -1 0 323.352 -0.785 20 0 DBADRM C[C@@H](CNC(=O)C(C)(C)C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001486993335 1013919700 /nfs/dbraw/zinc/91/97/00/1013919700.db2.gz UFPKBFFTYTZNDG-QMMMGPOBSA-N -1 0 313.358 -0.302 20 0 DBADRM CCN(CC(=O)[O-])C(=O)c1nnn(Cc2nnc(C)o2)c1C ZINC001596222346 1017119402 /nfs/dbraw/zinc/11/94/02/1017119402.db2.gz MPURDNMDSMYRMZ-UHFFFAOYSA-N -1 0 308.298 -0.127 20 0 DBADRM CCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC001487279246 1013968208 /nfs/dbraw/zinc/96/82/08/1013968208.db2.gz XCPZKBZGXFBHAU-UIKWRGBMSA-N -1 0 320.349 -0.670 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000317352194 970350396 /nfs/dbraw/zinc/35/03/96/970350396.db2.gz GHBPRQBJBSBPMU-CQSZACIVSA-N -1 0 313.354 -0.259 20 0 DBADRM CC(=O)NCCC[C@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001487514249 1013997857 /nfs/dbraw/zinc/99/78/57/1013997857.db2.gz WQTDVEIGOZIUPG-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN1CC(=O)NC(=O)NC1CCCCC1 ZINC000318746887 970467787 /nfs/dbraw/zinc/46/77/87/970467787.db2.gz JANQKASVSPAQDO-WDEREUQCSA-N -1 0 313.354 -0.335 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CCC(O)(C(N)=O)CC1 ZINC000319141678 970507299 /nfs/dbraw/zinc/50/72/99/970507299.db2.gz XTZDAWPLFPIEEO-UHFFFAOYSA-N -1 0 309.322 -0.218 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1=O ZINC000319360353 970529788 /nfs/dbraw/zinc/52/97/88/970529788.db2.gz SGJLGUBFKPEMBW-ZCFIWIBFSA-N -1 0 323.227 -0.931 20 0 DBADRM Cn1nccc1CCNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000319757568 970569580 /nfs/dbraw/zinc/56/95/80/970569580.db2.gz SMJDWVJWECMEOC-UHFFFAOYSA-N -1 0 307.314 -0.748 20 0 DBADRM CN1CC(=O)N(CC(=O)NCCc2ccc(C(=O)[O-])cc2)C1=O ZINC000320092989 970612946 /nfs/dbraw/zinc/61/29/46/970612946.db2.gz PNWMWTPEGCAILZ-UHFFFAOYSA-N -1 0 319.317 -0.063 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000320137158 970620044 /nfs/dbraw/zinc/62/00/44/970620044.db2.gz KWIKKPNJGHIGHG-XKNYDFJKSA-N -1 0 309.322 -0.171 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)Cc2c[nH]cn2)c1[O-] ZINC001487751296 1014029050 /nfs/dbraw/zinc/02/90/50/1014029050.db2.gz LSEDNUAWAZDSDH-MRVPVSSYSA-N -1 0 320.353 -0.034 20 0 DBADRM CC[C@@](COC)(NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000392884278 972538183 /nfs/dbraw/zinc/53/81/83/972538183.db2.gz OWTBSSVEGOTGRH-SKDRFNHKSA-N -1 0 322.383 -0.305 20 0 DBADRM CC[C@@]1(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCOC1 ZINC000393418793 972594240 /nfs/dbraw/zinc/59/42/40/972594240.db2.gz BZFIIXYUYONHHW-LLVKDONJSA-N -1 0 303.340 -0.185 20 0 DBADRM C[NH+](C)CC1(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCC1 ZINC000393513011 972606311 /nfs/dbraw/zinc/60/63/11/972606311.db2.gz JZOFCIPFXBDEJP-UHFFFAOYSA-N -1 0 316.383 -0.270 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCC(C)(CO)CO ZINC000393884566 972656163 /nfs/dbraw/zinc/65/61/63/972656163.db2.gz WGBHGABVPTXMLD-UHFFFAOYSA-N -1 0 307.324 -0.445 20 0 DBADRM CCN(CC)C(=O)COC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001596247837 1017122031 /nfs/dbraw/zinc/12/20/31/1017122031.db2.gz OUVNVAJVCVXUTM-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001487917879 1014055098 /nfs/dbraw/zinc/05/50/98/1014055098.db2.gz QDSVLOIRSJJLJO-DJLDLDEBSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1nccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])n1 ZINC000396432518 972883205 /nfs/dbraw/zinc/88/32/05/972883205.db2.gz VDSBSIWJQJSKKA-VIFPVBQESA-N -1 0 313.335 -0.501 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCC3(C2)OCCO3)c1C(=O)[O-] ZINC000396548531 972916533 /nfs/dbraw/zinc/91/65/33/972916533.db2.gz RKCKPADDDVQMRQ-UHFFFAOYSA-N -1 0 317.323 -0.446 20 0 DBADRM C[C@@H]1CC[C@H](CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)O1 ZINC000398127408 973072073 /nfs/dbraw/zinc/07/20/73/973072073.db2.gz JBDMDMWZEUECPN-RKDXNWHRSA-N -1 0 303.340 -0.187 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCCOC(F)F)nn1 ZINC000398190672 973080672 /nfs/dbraw/zinc/08/06/72/973080672.db2.gz JRSDZKKWVCDQCN-UHFFFAOYSA-N -1 0 307.257 -0.095 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCCOC(F)F)cn1 ZINC000398205326 973082889 /nfs/dbraw/zinc/08/28/89/973082889.db2.gz RAFOOKZKZVUBEO-UHFFFAOYSA-N -1 0 313.282 -0.125 20 0 DBADRM COC(=O)c1ccccc1S(=O)(=O)NC[C@H](O)CC(=O)[O-] ZINC000398217863 973083739 /nfs/dbraw/zinc/08/37/39/973083739.db2.gz BCQYXUNCXBNDII-MRVPVSSYSA-N -1 0 317.319 -0.413 20 0 DBADRM C[C@@H](NC(=O)c1cccs1)C(=O)NC[C@H](O)CC(=O)[O-] ZINC000398223510 973085036 /nfs/dbraw/zinc/08/50/36/973085036.db2.gz FBVNTSCODQORLK-HTQZYQBOSA-N -1 0 300.336 -0.182 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)c1cccc2nsnc21 ZINC000398257721 973094519 /nfs/dbraw/zinc/09/45/19/973094519.db2.gz JWBCPEODPHOZNT-LURJTMIESA-N -1 0 317.348 -0.195 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)CC(=O)[O-] ZINC000398259233 973094528 /nfs/dbraw/zinc/09/45/28/973094528.db2.gz ATCDZYFJCLKINI-VHSXEESVSA-N -1 0 300.355 -0.025 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000398264047 973097331 /nfs/dbraw/zinc/09/73/31/973097331.db2.gz ABCMOAXBFDANPJ-SSDOTTSWSA-N -1 0 307.262 -0.473 20 0 DBADRM CSc1nc(=O)[nH]c(C)c1C(=O)NC[C@@H](O)CC(=O)[O-] ZINC000398271245 973098997 /nfs/dbraw/zinc/09/89/97/973098997.db2.gz QFNGTUPALWBGDM-LURJTMIESA-N -1 0 301.324 -0.222 20 0 DBADRM C[C@@H](CNC(=O)NCC1(C(=O)[O-])CCCCC1)S(N)(=O)=O ZINC000398363017 973126865 /nfs/dbraw/zinc/12/68/65/973126865.db2.gz MTOIFCKPAZFFAT-VIFPVBQESA-N -1 0 321.399 -0.002 20 0 DBADRM C[C@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)S(N)(=O)=O ZINC000398376828 973129967 /nfs/dbraw/zinc/12/99/67/973129967.db2.gz LNQVWXJDUWGMDZ-AFPNSQJFSA-N -1 0 307.372 -0.394 20 0 DBADRM CCOC1(C)CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000398920427 973183114 /nfs/dbraw/zinc/18/31/14/973183114.db2.gz CSAZLPORCXKCRF-UHFFFAOYSA-N -1 0 303.340 -0.233 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C(=O)[O-] ZINC000400169385 973255429 /nfs/dbraw/zinc/25/54/29/973255429.db2.gz AKLWCHZXMHGXFS-OPRDCNLKSA-N -1 0 319.383 -0.618 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C(=O)[O-] ZINC000400169384 973255620 /nfs/dbraw/zinc/25/56/20/973255620.db2.gz AKLWCHZXMHGXFS-KXUCPTDWSA-N -1 0 319.383 -0.618 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)c2cc(C(=O)[O-])no2)C1 ZINC000400174209 973257127 /nfs/dbraw/zinc/25/71/27/973257127.db2.gz MNQLUYSITMJCQD-ZETCQYMHSA-N -1 0 317.323 -0.473 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC000400187583 973258367 /nfs/dbraw/zinc/25/83/67/973258367.db2.gz UYMWNHWQXRBACD-MRVPVSSYSA-N -1 0 300.340 -0.567 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)c2ccoc2CC(=O)[O-])C1 ZINC000400277696 973264424 /nfs/dbraw/zinc/26/44/24/973264424.db2.gz PQTJEZSBRMFSGX-QMMMGPOBSA-N -1 0 316.335 -0.330 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1C[C@H](C(=O)[O-])[C@H]2C[C@H]21 ZINC001596277275 1017123981 /nfs/dbraw/zinc/12/39/81/1017123981.db2.gz DXRYPYBIGNAEKT-ZRUFSTJUSA-N -1 0 318.395 -0.117 20 0 DBADRM C[C@H]1CN(C(=O)NCCOCC(=O)[O-])C[C@H](C)S1(=O)=O ZINC000400842553 973320136 /nfs/dbraw/zinc/32/01/36/973320136.db2.gz XXFOKACEALBTMQ-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)C[C@H]1CCOC1 ZINC000401390256 973360826 /nfs/dbraw/zinc/36/08/26/973360826.db2.gz OJBXOPOTJFBMQB-ZJUUUORDSA-N -1 0 305.352 -0.487 20 0 DBADRM CS(=O)(=O)c1ccc(N2C[C@H](O)C[C@@H](C(=O)[O-])C2)nc1 ZINC000401774446 973384344 /nfs/dbraw/zinc/38/43/44/973384344.db2.gz BXTZKNOISUNBSI-RKDXNWHRSA-N -1 0 300.336 -0.243 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401801040 973396860 /nfs/dbraw/zinc/39/68/60/973396860.db2.gz UCLMOQYYSBCVAK-GRYCIOLGSA-N -1 0 315.370 -0.816 20 0 DBADRM NC(=O)c1ccccc1NC(=O)CN1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401807120 973402526 /nfs/dbraw/zinc/40/25/26/973402526.db2.gz ARYQYRQSUHNMDA-ZJUUUORDSA-N -1 0 321.333 -0.509 20 0 DBADRM O=C(NC[C@H](CO)NC(=O)C1CC1)c1cc(=O)[nH]c(C2CC2)n1 ZINC001488019845 1014114390 /nfs/dbraw/zinc/11/43/90/1014114390.db2.gz KLGWRMGAIBFUMO-SNVBAGLBSA-N -1 0 320.349 -0.324 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000401868378 973469826 /nfs/dbraw/zinc/46/98/26/973469826.db2.gz WMYVHVKOWXXZAN-DTWKUNHWSA-N -1 0 310.331 -0.097 20 0 DBADRM O=C([O-])CN1CCN(S(=O)(=O)c2cccnc2F)CC1 ZINC000401869302 973471924 /nfs/dbraw/zinc/47/19/24/973471924.db2.gz HKCIXWGZRMQMBR-UHFFFAOYSA-N -1 0 303.315 -0.388 20 0 DBADRM CC(C)C(=O)NCCNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401889626 973496860 /nfs/dbraw/zinc/49/68/60/973496860.db2.gz NBHGPBYUMLMXMD-NXEZZACHSA-N -1 0 301.343 -0.764 20 0 DBADRM COCCn1cc(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1 ZINC000401899435 973504544 /nfs/dbraw/zinc/50/45/44/973504544.db2.gz PKBDWKOUIYWONK-MWLCHTKSSA-N -1 0 312.326 -0.171 20 0 DBADRM N#Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC000401902455 973508876 /nfs/dbraw/zinc/50/88/76/973508876.db2.gz DZZSQGIKMQFZKM-WCBMZHEXSA-N -1 0 311.319 -0.591 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)NCC(=O)N2CCCCC2)C1 ZINC000401904888 973513821 /nfs/dbraw/zinc/51/38/21/973513821.db2.gz SURJXVPJXGVIEY-WDEREUQCSA-N -1 0 313.354 -0.524 20 0 DBADRM Cc1nnc(CCNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)s1 ZINC000401910706 973522850 /nfs/dbraw/zinc/52/28/50/973522850.db2.gz KSOGWGXKSGWOBU-IUCAKERBSA-N -1 0 314.367 -0.134 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC000401911137 973524878 /nfs/dbraw/zinc/52/48/78/973524878.db2.gz LDFLAKDNBOMWFD-USZNOCQGSA-N -1 0 320.411 -0.024 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H](C)c2ccnn2C)CCO1 ZINC001604541961 973529716 /nfs/dbraw/zinc/52/97/16/973529716.db2.gz XJGPSWWNHCTCAM-HZMBPMFUSA-N -1 0 311.338 -0.148 20 0 DBADRM Cc1nnc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)s1 ZINC000401925009 973539328 /nfs/dbraw/zinc/53/93/28/973539328.db2.gz QMXPTULVIBKVKW-SFYZADRCSA-N -1 0 300.340 -0.176 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(C(=O)C2=CS(=O)(=O)CCC2)CCO1 ZINC001573600908 1026599321 /nfs/dbraw/zinc/59/93/21/1026599321.db2.gz LCIBDQGAUINOAL-LBPRGKRZSA-N -1 0 303.336 -0.219 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC000401939085 973546718 /nfs/dbraw/zinc/54/67/18/973546718.db2.gz NYHVZUBDYWQVEZ-GRYCIOLGSA-N -1 0 320.349 -0.261 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401968383 973573407 /nfs/dbraw/zinc/57/34/07/973573407.db2.gz IFVUDEXPVZLBEN-RNFRBKRXSA-N -1 0 323.758 -0.470 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(S(=O)(=O)N2CCCCCC2)C1 ZINC000401971368 973577478 /nfs/dbraw/zinc/57/74/78/973577478.db2.gz MXDQDZOJESTQAX-QWRGUYRKSA-N -1 0 306.384 -0.125 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(S(=O)(=O)N2CCCCCC2)C1 ZINC000401971369 973578084 /nfs/dbraw/zinc/57/80/84/973578084.db2.gz MXDQDZOJESTQAX-WDEREUQCSA-N -1 0 306.384 -0.125 20 0 DBADRM Cc1ncc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)s1 ZINC000401973225 973580258 /nfs/dbraw/zinc/58/02/58/973580258.db2.gz PPKJSKTURVTJEN-SFYZADRCSA-N -1 0 306.365 -0.092 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401975957 973584833 /nfs/dbraw/zinc/58/48/33/973584833.db2.gz ULICKGFTHSOXHN-RKDXNWHRSA-N -1 0 303.340 -0.517 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC001573492936 1026580941 /nfs/dbraw/zinc/58/09/41/1026580941.db2.gz JIBPFVQNUIPHCL-NXEZZACHSA-N -1 0 306.384 -0.070 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NCc1nnc2n1CCC2 ZINC001573724258 1026625599 /nfs/dbraw/zinc/62/55/99/1026625599.db2.gz HNDGHMXCAFYZJK-MRVPVSSYSA-N -1 0 302.356 -0.103 20 0 DBADRM CCOC(=O)[C@@]1(CNC(=O)[C@@H](O)CC(=O)[O-])CCCOC1 ZINC001573784324 1026632045 /nfs/dbraw/zinc/63/20/45/1026632045.db2.gz JCUZOFKSMOOAHL-TVQRCGJNSA-N -1 0 303.311 -0.702 20 0 DBADRM CCN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC001596316184 1017126953 /nfs/dbraw/zinc/12/69/53/1017126953.db2.gz ZJZDLKKJYXQVMT-UHFFFAOYSA-N -1 0 322.383 -0.133 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC001574101730 1026704111 /nfs/dbraw/zinc/70/41/11/1026704111.db2.gz MYJPWQXRCUUBMK-XVKPBYJWSA-N -1 0 316.335 -0.389 20 0 DBADRM C/C=C(/C)C(=O)N[C@H](C)CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001526753655 1014138527 /nfs/dbraw/zinc/13/85/27/1014138527.db2.gz XDNOAMIIXLGFNX-USYJTPIQSA-N -1 0 323.353 -0.198 20 0 DBADRM NS(=O)(=O)CCCNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405430691 973877576 /nfs/dbraw/zinc/87/75/76/973877576.db2.gz YRHZBMUAOLIELO-VIFPVBQESA-N -1 0 319.383 -0.439 20 0 DBADRM C[C@H](CNC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])S(N)(=O)=O ZINC000405506336 973893426 /nfs/dbraw/zinc/89/34/26/973893426.db2.gz DMXWXZPVISZBRO-HRDYMLBCSA-N -1 0 307.372 -0.394 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CCSC[C@H]2C(=O)[O-])CCO1 ZINC000417476316 973957603 /nfs/dbraw/zinc/95/76/03/973957603.db2.gz QGOFARCCEJNKDS-VIFPVBQESA-N -1 0 324.424 -0.156 20 0 DBADRM CCC1(C(=O)NC[C@H](C)NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001526965959 1014166642 /nfs/dbraw/zinc/16/66/42/1014166642.db2.gz VJQCIHTWICUESB-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM COC[C@@](C)(CC(=O)OC)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000519781135 974335371 /nfs/dbraw/zinc/33/53/71/974335371.db2.gz WIOVAIKVBGYIIT-IGJMFERPSA-N -1 0 303.311 -0.297 20 0 DBADRM C[C@H](CCNC(=O)C1(C)CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001527591186 1014268572 /nfs/dbraw/zinc/26/85/72/1014268572.db2.gz XOYQMOZRWFQCPP-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(C)OCCCNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001591722924 975669195 /nfs/dbraw/zinc/66/91/95/975669195.db2.gz XQNCYMXOABKJKV-LLVKDONJSA-N -1 0 316.354 -0.380 20 0 DBADRM CC(=O)N1CCC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001488264517 1014310717 /nfs/dbraw/zinc/31/07/17/1014310717.db2.gz ODZYIMQWAXDTTL-WPRPVWTQSA-N -1 0 323.353 -0.269 20 0 DBADRM Cc1ccoc1C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001527922975 1014312262 /nfs/dbraw/zinc/31/22/62/1014312262.db2.gz XJWMQCIIWJHZRN-UHFFFAOYSA-N -1 0 323.309 -0.521 20 0 DBADRM CC/C=C(\C)C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001527959783 1014320289 /nfs/dbraw/zinc/32/02/89/1014320289.db2.gz QWZYFELYQILRDL-VMPITWQZSA-N -1 0 309.326 -0.173 20 0 DBADRM COc1cc(C(=O)NCCN(C)C(=O)c2n[nH]c(C)c2[O-])on1 ZINC001528053443 1014345250 /nfs/dbraw/zinc/34/52/50/1014345250.db2.gz UEIQKRXYAAIBHZ-UHFFFAOYSA-N -1 0 323.309 -0.078 20 0 DBADRM O=C([N-]NC(=O)c1cc[n+]([O-])cc1)c1n[nH]c2c1CCCC2 ZINC000013230646 977395318 /nfs/dbraw/zinc/39/53/18/977395318.db2.gz OUYFFRIDTNNBGZ-UHFFFAOYSA-N -1 0 301.306 -0.003 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@@](C)(O)C1CC1 ZINC000909204878 977434344 /nfs/dbraw/zinc/43/43/44/977434344.db2.gz YSWRSWFPAFKYTP-HNNXBMFYSA-N -1 0 312.366 -0.071 20 0 DBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCOCC2CC2)C1 ZINC000926590695 977445709 /nfs/dbraw/zinc/44/57/09/977445709.db2.gz FGTRSZHSASIATC-QWRGUYRKSA-N -1 0 307.368 -0.083 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN(C)C(=O)[C@H]2C[C@@H]2C)c1[O-] ZINC001488392452 1014403242 /nfs/dbraw/zinc/40/32/42/1014403242.db2.gz HILNPQAJGPXBMU-HGNGGELXSA-N -1 0 310.354 -0.371 20 0 DBADRM CCC(=O)N1CC[C@H](N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001051956512 977577958 /nfs/dbraw/zinc/57/79/58/977577958.db2.gz PCBUKXAUCUHUMB-NSHDSACASA-N -1 0 308.386 -0.361 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@@H]1CC=CCC1 ZINC001528454452 1014415523 /nfs/dbraw/zinc/41/55/23/1014415523.db2.gz NMBWBKNXWPEXEV-SECBINFHSA-N -1 0 321.337 -0.173 20 0 DBADRM O=C(Cc1cc[nH]n1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052270948 977686571 /nfs/dbraw/zinc/68/65/71/977686571.db2.gz VVRFSAJGYFBJRQ-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1COC(=O)N1 ZINC001052353093 977709860 /nfs/dbraw/zinc/70/98/60/977709860.db2.gz XYPRLXDKXGYMET-DTWKUNHWSA-N -1 0 324.341 -0.911 20 0 DBADRM COCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C ZINC001052377511 977717441 /nfs/dbraw/zinc/71/74/41/977717441.db2.gz MQDQEIKAHMZNNS-PSASIEDQSA-N -1 0 310.354 -0.106 20 0 DBADRM COCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1C ZINC001052377516 977718251 /nfs/dbraw/zinc/71/82/51/977718251.db2.gz MQDQEIKAHMZNNS-WCBMZHEXSA-N -1 0 310.354 -0.106 20 0 DBADRM CCC[C@H](C)C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001528477818 1014422234 /nfs/dbraw/zinc/42/22/34/1014422234.db2.gz AXKVHNLUDCGIGG-VIFPVBQESA-N -1 0 313.358 -0.300 20 0 DBADRM O=C(Cc1ncc[nH]1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052824662 977821914 /nfs/dbraw/zinc/82/19/14/977821914.db2.gz ZXFPAHUDMQLZLY-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(Cc1nc[nH]n1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052852761 977823626 /nfs/dbraw/zinc/82/36/26/977823626.db2.gz KEWDINPTGGHEKF-SECBINFHSA-N -1 0 320.357 -0.658 20 0 DBADRM CCCC(=O)NC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001053075309 977849651 /nfs/dbraw/zinc/84/96/51/977849651.db2.gz SQRAECUPEOVZCI-BDAKNGLRSA-N -1 0 323.353 -0.093 20 0 DBADRM O=C(c1ccco1)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053129019 977857360 /nfs/dbraw/zinc/85/73/60/977857360.db2.gz IWXXDSHLWMHLRH-UHFFFAOYSA-N -1 0 319.321 -0.170 20 0 DBADRM O=C(c1ccon1)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053170321 977869495 /nfs/dbraw/zinc/86/94/95/977869495.db2.gz DIDQMBHIELIAKY-UHFFFAOYSA-N -1 0 320.309 -0.775 20 0 DBADRM C/C=C(/C)C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053208626 977881476 /nfs/dbraw/zinc/88/14/76/977881476.db2.gz QEMOZLGSYNREQA-KMKOMSMNSA-N -1 0 307.354 -0.110 20 0 DBADRM CO[C@H](C)CN1CC2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])CCO2 ZINC001053226474 977884833 /nfs/dbraw/zinc/88/48/33/977884833.db2.gz WOUITNUBWRQHGF-SNVBAGLBSA-N -1 0 324.381 -0.015 20 0 DBADRM CCN(OC)C(=O)CNC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001596383969 1017133931 /nfs/dbraw/zinc/13/39/31/1017133931.db2.gz KVPZVCMPDQEFGV-SECBINFHSA-N -1 0 319.383 -0.145 20 0 DBADRM CCN(Cc1cn(CC(=O)[O-])nn1)[C@H](C)CS(C)(=O)=O ZINC001596378728 1017133947 /nfs/dbraw/zinc/13/39/47/1017133947.db2.gz SSUBNJXEEGXDOD-SECBINFHSA-N -1 0 304.372 -0.382 20 0 DBADRM CC(C)N1CC2(C1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)CCO2 ZINC001053327279 977928778 /nfs/dbraw/zinc/92/87/78/977928778.db2.gz YFNLBLGCLLQLOA-UHFFFAOYSA-N -1 0 309.326 -0.782 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)C(F)F ZINC001053715164 978035111 /nfs/dbraw/zinc/03/51/11/978035111.db2.gz TZSCPVJPXHLZGG-ZCFIWIBFSA-N -1 0 303.269 -0.765 20 0 DBADRM CC(F)(F)C(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053717413 978037259 /nfs/dbraw/zinc/03/72/59/978037259.db2.gz MNXINDPPZHKPLU-SSDOTTSWSA-N -1 0 317.296 -0.375 20 0 DBADRM CC(C)(F)C(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053722391 978040642 /nfs/dbraw/zinc/04/06/42/978040642.db2.gz QFEMWCJFNBHFSL-MRVPVSSYSA-N -1 0 313.333 -0.282 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1ccco1 ZINC001053723382 978040692 /nfs/dbraw/zinc/04/06/92/978040692.db2.gz KDRZZSCLXPMTOZ-VIFPVBQESA-N -1 0 319.321 -0.123 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)[C@@H]1CCOC1 ZINC001053751688 978052156 /nfs/dbraw/zinc/05/21/56/978052156.db2.gz NTZZJYJIENZEHZ-ZJUUUORDSA-N -1 0 323.353 -0.994 20 0 DBADRM CCCN1CC2(C1)C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)CO2 ZINC001053890168 978131784 /nfs/dbraw/zinc/13/17/84/978131784.db2.gz CBVWMQCJICUDLO-SNVBAGLBSA-N -1 0 322.365 -0.531 20 0 DBADRM CS(=O)(=O)c1ccc(COC(=O)[C@@H](O)CC(=O)[O-])cc1 ZINC001209886026 978483192 /nfs/dbraw/zinc/48/31/92/978483192.db2.gz HESZBJBLXDZMEK-JTQLQIEISA-N -1 0 302.304 -0.031 20 0 DBADRM Cc1nc(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])no1 ZINC001210601481 978522409 /nfs/dbraw/zinc/52/24/09/978522409.db2.gz FRKYXYURRLQJEY-SNVBAGLBSA-N -1 0 321.355 -0.517 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CSC ZINC001211819375 978585542 /nfs/dbraw/zinc/58/55/42/978585542.db2.gz QMMFHIKCEDADKG-HTQZYQBOSA-N -1 0 301.372 -0.811 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)/C=C\C1CC1 ZINC001212086751 978622436 /nfs/dbraw/zinc/62/24/36/978622436.db2.gz FPPSIDRUFFCGQU-WQMVXFAESA-N -1 0 307.354 -0.208 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CC(C)(F)F ZINC001213392499 978671034 /nfs/dbraw/zinc/67/10/34/978671034.db2.gz DNXJETHZERZNNX-HTQZYQBOSA-N -1 0 319.312 -0.129 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cn(C)nc1C(C)(C)C ZINC001213913224 978697485 /nfs/dbraw/zinc/69/74/85/978697485.db2.gz XYWOIXWRBLCXTF-UHFFFAOYSA-N -1 0 304.372 -0.327 20 0 DBADRM O=C(CCC(F)(F)F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219423433 978938761 /nfs/dbraw/zinc/93/87/61/978938761.db2.gz NRMUCXPNSFYIDC-RQJHMYQMSA-N -1 0 323.275 -0.486 20 0 DBADRM CC(=O)N[C@H](C)C[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001488727888 1014536181 /nfs/dbraw/zinc/53/61/81/1014536181.db2.gz YYPURDSZXQMJFD-BDAKNGLRSA-N -1 0 320.353 -0.509 20 0 DBADRM CCN1C[C@@H](NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CC1=O ZINC001596397500 1017136422 /nfs/dbraw/zinc/13/64/22/1017136422.db2.gz JHINIHZNHZWDJZ-JQWIXIFHSA-N -1 0 313.354 -0.526 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C(C)(C)C ZINC001219883529 979038269 /nfs/dbraw/zinc/03/82/69/979038269.db2.gz ULQAYAHUSMXDQJ-BBBLOLIVSA-N -1 0 311.386 -0.146 20 0 DBADRM CCC(C)(CC)OC(=O)C[C@H](N)C(=O)N[C@@H]1CO[N-]C1=O ZINC001220027930 979068872 /nfs/dbraw/zinc/06/88/72/979068872.db2.gz HCWWCXHHXHMZDW-DTWKUNHWSA-N -1 0 301.343 -0.628 20 0 DBADRM C=C/C(C)=C\CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220171824 979121443 /nfs/dbraw/zinc/12/14/43/979121443.db2.gz GAQZRJFIMJJQSN-BMMYIHMSSA-N -1 0 307.354 -0.306 20 0 DBADRM C=C/C(C)=C/CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220171823 979121478 /nfs/dbraw/zinc/12/14/78/979121478.db2.gz GAQZRJFIMJJQSN-BDMRALOESA-N -1 0 307.354 -0.306 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C(F)(F)F ZINC001220166235 979122222 /nfs/dbraw/zinc/12/22/22/979122222.db2.gz UVTAVPQAIYSQHA-QYNIQEEDSA-N -1 0 323.275 -0.630 20 0 DBADRM N[C@H](C[NH3+])c1ccc(C(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001220220899 979139591 /nfs/dbraw/zinc/13/95/91/979139591.db2.gz JYVRFGRIMFEWBI-SNVBAGLBSA-N -1 0 303.255 -0.516 20 0 DBADRM O=C(NCCOP(=O)([O-])[O-])[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001220220773 979140394 /nfs/dbraw/zinc/14/03/94/979140394.db2.gz DXJGJNNVCMIMBW-PWSUYJOCSA-N -1 0 322.298 -0.239 20 0 DBADRM [NH3+][C@@H](Cc1cccc(O)c1)C(=O)NCCOP(=O)([O-])[O-] ZINC001220221320 979140742 /nfs/dbraw/zinc/14/07/42/979140742.db2.gz ZRKXAAVXFGHBJS-JTQLQIEISA-N -1 0 304.239 -0.513 20 0 DBADRM CC(C)(C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C(F)F ZINC001220323109 979167544 /nfs/dbraw/zinc/16/75/44/979167544.db2.gz PLVQOIRRGIGIPI-RQJHMYQMSA-N -1 0 319.312 -0.537 20 0 DBADRM CC(C)C[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220629292 979251533 /nfs/dbraw/zinc/25/15/33/979251533.db2.gz ZGPNLXKBPBTNGA-MXWKQRLJSA-N -1 0 311.386 -0.146 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1ccnc(N2CCOCC2)c1 ZINC001220899481 979318202 /nfs/dbraw/zinc/31/82/02/979318202.db2.gz LDLGKMSBAQWOAD-UHFFFAOYSA-N -1 0 323.353 -0.605 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1ccnc(-n2cccn2)c1 ZINC001220914672 979321751 /nfs/dbraw/zinc/32/17/51/979321751.db2.gz WYVSMZGEFXWWES-UHFFFAOYSA-N -1 0 304.310 -0.256 20 0 DBADRM CN(C)C(=O)CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221859156 979470143 /nfs/dbraw/zinc/47/01/43/979470143.db2.gz FOAXVDVJLALOBW-NXEZZACHSA-N -1 0 322.369 -0.979 20 0 DBADRM Cn1cc(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])cn1 ZINC001222430014 979511907 /nfs/dbraw/zinc/51/19/07/979511907.db2.gz KSLVVFBMTNHBSZ-LBPRGKRZSA-N -1 0 319.383 -0.475 20 0 DBADRM CNC(=O)C(C)(C)O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001222570397 979519294 /nfs/dbraw/zinc/51/92/94/979519294.db2.gz YYJLSHQPYJTMSW-SNVBAGLBSA-N -1 0 324.399 -0.884 20 0 DBADRM CN(C)C(=O)CCO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001222559220 979520198 /nfs/dbraw/zinc/52/01/98/979520198.db2.gz XRUFAJFFHXPQJT-NSHDSACASA-N -1 0 324.399 -0.930 20 0 DBADRM CC(C)C(=O)NCCN(C(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001529703257 1014583241 /nfs/dbraw/zinc/58/32/41/1014583241.db2.gz INCACNWQTIJJQC-UHFFFAOYSA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001224041241 979561688 /nfs/dbraw/zinc/56/16/88/979561688.db2.gz CCVHBVYVPLPFNE-VIFPVBQESA-N -1 0 324.385 -0.650 20 0 DBADRM COC(=O)/C=C/CO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001224491859 979571533 /nfs/dbraw/zinc/57/15/33/979571533.db2.gz DGTRKQKUETXDHM-VUDBWIFFSA-N -1 0 323.367 -0.679 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OC[C@H]1CCOC1 ZINC001224479389 979571942 /nfs/dbraw/zinc/57/19/42/979571942.db2.gz HJVDULHBVJMJLH-NWDGAFQWSA-N -1 0 309.384 -0.372 20 0 DBADRM O=S(=O)([O-])CCOC[C@@H]1COCCOCCOCCO1 ZINC001224570505 979577364 /nfs/dbraw/zinc/57/73/64/979577364.db2.gz CBMAQEXJJCTVHW-NSHDSACASA-N -1 0 314.356 -0.661 20 0 DBADRM C[N@@H+]1CCCC[C@@H]1COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224707772 979580638 /nfs/dbraw/zinc/58/06/38/979580638.db2.gz SQIMKFZHKJDOER-FXPVBKGRSA-N -1 0 303.311 -0.450 20 0 DBADRM O=C([O-])C[C@@H](C(=O)OCCC[NH+]1CCCC1)[C@@H](O)C(=O)[O-] ZINC001224751053 979581114 /nfs/dbraw/zinc/58/11/14/979581114.db2.gz VLKQYJBFNRDLKN-MWLCHTKSSA-N -1 0 303.311 -0.448 20 0 DBADRM CN(C)C(=O)CC(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001224778724 979584450 /nfs/dbraw/zinc/58/44/50/979584450.db2.gz RDRWIUNMNZHEPM-UHFFFAOYSA-N -1 0 324.385 -0.683 20 0 DBADRM COCOCCO[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001224820040 979585113 /nfs/dbraw/zinc/58/51/13/979585113.db2.gz OLZYKTQDGDYMKZ-LLVKDONJSA-N -1 0 313.372 -0.788 20 0 DBADRM O=C(Cc1ncc[nH]1)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001224957678 979590298 /nfs/dbraw/zinc/59/02/98/979590298.db2.gz KMLVSFVHXYCHGS-UHFFFAOYSA-N -1 0 319.369 -0.196 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1ccncn1 ZINC001225590940 979601774 /nfs/dbraw/zinc/60/17/74/979601774.db2.gz ZNNFGVXZPHNYAK-SNVBAGLBSA-N -1 0 303.340 -0.556 20 0 DBADRM O=C(Cn1ccnc1)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001225658907 979601796 /nfs/dbraw/zinc/60/17/96/979601796.db2.gz RPUIKBRJNKLJIW-UHFFFAOYSA-N -1 0 319.369 -0.265 20 0 DBADRM O=c1c([O-])c(OC2CCN(c3ncccn3)CC2)c(=O)c1=O ZINC001225832092 979608060 /nfs/dbraw/zinc/60/80/60/979608060.db2.gz CFQITBTYRSHYHG-UHFFFAOYSA-N -1 0 303.274 -0.814 20 0 DBADRM CCOC(=O)C[C@H](Oc1c([O-])c(=O)c(=O)c1=O)C(F)(F)F ZINC001225832440 979608665 /nfs/dbraw/zinc/60/86/65/979608665.db2.gz DMJIZCWNQLPYTG-BYPYZUCNSA-N -1 0 310.180 -0.389 20 0 DBADRM Cc1ccnnc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001226639544 979636763 /nfs/dbraw/zinc/63/67/63/979636763.db2.gz QOGJBLYFKHWLSY-LLVKDONJSA-N -1 0 317.367 -0.248 20 0 DBADRM CC(=O)OC[C@H](COc1[n-]c(=O)nc2cnncc21)OC(C)=O ZINC001226688644 979640578 /nfs/dbraw/zinc/64/05/78/979640578.db2.gz UURXLUCANGBWMV-SECBINFHSA-N -1 0 322.277 -0.001 20 0 DBADRM COC(=O)CC(CC(=O)OC)Oc1[n-]c(=O)nc2cnncc21 ZINC001226691827 979643623 /nfs/dbraw/zinc/64/36/23/979643623.db2.gz LWUIKKVCXQGFEV-UHFFFAOYSA-N -1 0 322.277 -0.001 20 0 DBADRM O=C([O-])CC[C@@H](O)C(=O)Oc1ccnc(N2CCOCC2)n1 ZINC001226754968 979647964 /nfs/dbraw/zinc/64/79/64/979647964.db2.gz WGYBUVXSCTUSIH-SECBINFHSA-N -1 0 311.294 -0.556 20 0 DBADRM CC1(C)O[C@H]2C(=O)O[C@H](COc3[n-]c(=O)nc4nc[nH]c43)[C@H]2O1 ZINC001227070318 979657985 /nfs/dbraw/zinc/65/79/85/979657985.db2.gz NMTJZOZLOJZPKY-LPBLVHEISA-N -1 0 322.277 -0.117 20 0 DBADRM CC(=O)OC[C@@H](COc1[n-]c(=O)nc2nc[nH]c21)OC(C)=O ZINC001227070023 979658017 /nfs/dbraw/zinc/65/80/17/979658017.db2.gz LIFIDNRPCURWKQ-QMMMGPOBSA-N -1 0 310.266 -0.068 20 0 DBADRM O=c1nnc(Br)c(O[C@H]2CCS(=O)(=O)C2)[n-]1 ZINC001227063434 979658268 /nfs/dbraw/zinc/65/82/68/979658268.db2.gz FCAXJALYGZVZKX-BYPYZUCNSA-N -1 0 310.129 -0.094 20 0 DBADRM CN1CCO[C@H](COc2[n-]c(=O)nnc2Br)C1=O ZINC001227066723 979658683 /nfs/dbraw/zinc/65/86/83/979658683.db2.gz NZJGHHAMJPUAEQ-RXMQYKEDSA-N -1 0 319.115 -0.424 20 0 DBADRM Cn1ccnc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001228309567 979671468 /nfs/dbraw/zinc/67/14/68/979671468.db2.gz DCDZRIKNFLLRQZ-SNVBAGLBSA-N -1 0 305.356 -0.613 20 0 DBADRM O=c1cc(O)nc(O[C@H]2CO[C@@H]3[C@H](O[N+](=O)[O-])CO[C@H]23)[n-]1 ZINC001228391245 979673156 /nfs/dbraw/zinc/67/31/56/979673156.db2.gz UIDBDOAXGSBFBZ-TYPSWONNSA-N -1 0 301.211 -0.990 20 0 DBADRM O=c1cn[n-]c(O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])c1Cl ZINC001228387226 979673320 /nfs/dbraw/zinc/67/33/20/979673320.db2.gz MICIECOLHXNGAK-HSLWUYEYSA-N -1 0 319.657 -0.043 20 0 DBADRM O=c1cc[nH]cc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001229509819 979676802 /nfs/dbraw/zinc/67/68/02/979676802.db2.gz OGMWCBJHYNQCPA-SNVBAGLBSA-N -1 0 318.351 -0.658 20 0 DBADRM CON(C)CCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001300120663 979690652 /nfs/dbraw/zinc/69/06/52/979690652.db2.gz GSPTYPXPLPSALQ-UHFFFAOYSA-N -1 0 307.310 -0.511 20 0 DBADRM CC[C@H](CNC(=O)c1nonc1C)Nc1ccnc(C(=O)[O-])n1 ZINC001595162994 979691773 /nfs/dbraw/zinc/69/17/73/979691773.db2.gz CARCVSHUIPDEGN-MRVPVSSYSA-N -1 0 320.309 -0.091 20 0 DBADRM CC[C@@H](CNC(=O)c1cnn(C)n1)Nc1ncc(C(=O)[O-])cn1 ZINC001595162990 979691796 /nfs/dbraw/zinc/69/17/96/979691796.db2.gz BDBOEFFUYCELNA-VIFPVBQESA-N -1 0 319.325 -0.076 20 0 DBADRM CC[C@H](CNC(=O)c1cnnn1C)Nc1ncc(C(=O)[O-])cn1 ZINC001595163720 979700648 /nfs/dbraw/zinc/70/06/48/979700648.db2.gz SWGSEMXSGIFXJE-SECBINFHSA-N -1 0 319.325 -0.076 20 0 DBADRM C[C@@H](CN(C)C(=O)c1ccc2n[nH]c(=O)n2c1)c1nnn[n-]1 ZINC001325762042 979713604 /nfs/dbraw/zinc/71/36/04/979713604.db2.gz HBKDBOSOOKVVAF-ZETCQYMHSA-N -1 0 302.298 -0.176 20 0 DBADRM O=C([N-]OCCC(F)(F)F)C(=O)NCCNC(=O)C1CC1 ZINC001325956751 979723507 /nfs/dbraw/zinc/72/35/07/979723507.db2.gz LZEJUTWGLCSPOP-UHFFFAOYSA-N -1 0 311.260 -0.371 20 0 DBADRM O=C([O-])/C=C\CNS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001326460853 979735992 /nfs/dbraw/zinc/73/59/92/979735992.db2.gz BAYLFZODXDBVPD-LVXRCVOFSA-N -1 0 311.381 -0.629 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC001326454192 979736959 /nfs/dbraw/zinc/73/69/59/979736959.db2.gz SZMSXRPIBOXZOH-MFKMUULPSA-N -1 0 301.343 -0.309 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC1Cc2ccccc2C1 ZINC001326620037 979748923 /nfs/dbraw/zinc/74/89/23/979748923.db2.gz PMMJIZWBVUPCOS-UHFFFAOYSA-N -1 0 305.334 -0.546 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC001326708868 979759548 /nfs/dbraw/zinc/75/95/48/979759548.db2.gz KNEFNWGXARUIQQ-CYBMUJFWSA-N -1 0 320.349 -0.167 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC001326748787 979762770 /nfs/dbraw/zinc/76/27/70/979762770.db2.gz CMOOWXYQEUDDOR-VHSXEESVSA-N -1 0 301.343 -0.946 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1ccccc1F ZINC001326937570 979779536 /nfs/dbraw/zinc/77/95/36/979779536.db2.gz LERVIAJNPXGKCH-UHFFFAOYSA-N -1 0 311.313 -0.332 20 0 DBADRM CN(CCc1cnccn1)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001327056521 979788100 /nfs/dbraw/zinc/78/81/00/979788100.db2.gz TXSOMZHKUWADLP-WDEREUQCSA-N -1 0 320.349 -0.153 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001327056937 979788363 /nfs/dbraw/zinc/78/83/63/979788363.db2.gz YBLICJWXTDUPDJ-VHSXEESVSA-N -1 0 306.322 -0.229 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@H](C(C)C)C1 ZINC001327038861 979788794 /nfs/dbraw/zinc/78/87/94/979788794.db2.gz SLSPVGANRVVEBP-JTQLQIEISA-N -1 0 301.343 -0.946 20 0 DBADRM CN(CCNC(=O)C(=O)NCCCC(=O)[O-])CC(F)(F)F ZINC001327053945 979789311 /nfs/dbraw/zinc/78/93/11/979789311.db2.gz GIRXOVNTJYOEON-UHFFFAOYSA-N -1 0 313.276 -0.422 20 0 DBADRM CN1CC(=O)N(CC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC001327204236 979797732 /nfs/dbraw/zinc/79/77/32/979797732.db2.gz AIUKVVDMTCBORK-QMMMGPOBSA-N -1 0 322.325 -0.890 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001327208579 979797833 /nfs/dbraw/zinc/79/78/33/979797833.db2.gz MEIDLHRQWIFRAE-SNVBAGLBSA-N -1 0 304.368 -0.960 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])CC1=O ZINC001596403223 1017138429 /nfs/dbraw/zinc/13/84/29/1017138429.db2.gz WXZIZWWODKDLGG-DTWKUNHWSA-N -1 0 322.408 -0.561 20 0 DBADRM CS(=O)(=O)N1CCC(CC(=O)NCCOCC(=O)[O-])CC1 ZINC001329984429 979810018 /nfs/dbraw/zinc/81/00/18/979810018.db2.gz RRKYSZUPVHZGOF-UHFFFAOYSA-N -1 0 322.383 -0.735 20 0 DBADRM Cc1conc1C(=O)NCCOCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001331160322 979863319 /nfs/dbraw/zinc/86/33/19/979863319.db2.gz BGKPKEPXIPLPIN-UHFFFAOYSA-N -1 0 324.341 -0.315 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCC(=O)N(C)C1CCCCC1 ZINC001342884796 979911806 /nfs/dbraw/zinc/91/18/06/979911806.db2.gz NKWWSJKUDGBALI-UHFFFAOYSA-N -1 0 315.370 -0.412 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001343052071 979917590 /nfs/dbraw/zinc/91/75/90/979917590.db2.gz OWWLZWWHCRPAGE-MXWKQRLJSA-N -1 0 313.354 -0.898 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccccc1Cn1cncn1 ZINC001344090230 979975582 /nfs/dbraw/zinc/97/55/82/979975582.db2.gz QBMABQBNRMEXFO-UHFFFAOYSA-N -1 0 314.305 -0.025 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC001344117069 979975867 /nfs/dbraw/zinc/97/58/67/979975867.db2.gz RSGDZDYVRXTKOO-CQSZACIVSA-N -1 0 321.337 -0.828 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC001344553481 979999672 /nfs/dbraw/zinc/99/96/72/979999672.db2.gz SSERTHSDACHZCV-UHFFFAOYSA-N -1 0 315.293 -0.809 20 0 DBADRM CN(C)C(=O)CCCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001345438223 980055528 /nfs/dbraw/zinc/05/55/28/980055528.db2.gz KLLOCKMOQMJZGX-SNVBAGLBSA-N -1 0 301.343 -0.945 20 0 DBADRM CC(=O)N[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1 ZINC001529982102 1014627825 /nfs/dbraw/zinc/62/78/25/1014627825.db2.gz DLVJZESTBSVSRX-LLVKDONJSA-N -1 0 319.321 -0.317 20 0 DBADRM CCN(OC)C(=O)CNC(=O)C(=O)[N-]OCc1ccccc1 ZINC001345917290 980099544 /nfs/dbraw/zinc/09/95/44/980099544.db2.gz KGOKLJPSSXCEQQ-UHFFFAOYSA-N -1 0 309.322 -0.240 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1ccccc1CC(=O)NC)C(=O)[O-] ZINC001345944520 980101241 /nfs/dbraw/zinc/10/12/41/980101241.db2.gz RGBDFBBSWFNTAF-JTQLQIEISA-N -1 0 321.333 -0.107 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc2c(c1)CCO2 ZINC001346345744 980131722 /nfs/dbraw/zinc/13/17/22/980131722.db2.gz HNMNLNOLEJMHEP-UHFFFAOYSA-N -1 0 321.333 -0.578 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc2c(c1)CCC2 ZINC001346351396 980134471 /nfs/dbraw/zinc/13/44/71/980134471.db2.gz DLCYMMYWNQDWQY-UHFFFAOYSA-N -1 0 319.361 -0.025 20 0 DBADRM CC(=O)NC[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC001346520035 980149861 /nfs/dbraw/zinc/14/98/61/980149861.db2.gz ZOXJCBSZWMQDAN-GXSJLCMTSA-N -1 0 313.354 -0.802 20 0 DBADRM Cn1cc([C@@H]2[C@@H](C(=O)[N-]OCC(F)F)[C@@H](O)C(=O)N2C)cn1 ZINC001346751180 980165920 /nfs/dbraw/zinc/16/59/20/980165920.db2.gz BHPOMIZBVYLKIF-OPRDCNLKSA-N -1 0 318.280 -0.777 20 0 DBADRM COCCCn1nc(C(=O)NCC2(C(=O)[O-])CC2)ccc1=O ZINC001347049524 980193214 /nfs/dbraw/zinc/19/32/14/980193214.db2.gz RFPJEGHROJARGB-UHFFFAOYSA-N -1 0 309.322 -0.126 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCc1nnnn1CC1CC1 ZINC001347240468 980208339 /nfs/dbraw/zinc/20/83/39/980208339.db2.gz WNSQEQALMYLPKA-UHFFFAOYSA-N -1 0 314.371 -0.890 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1=O ZINC001347627640 980236517 /nfs/dbraw/zinc/23/65/17/980236517.db2.gz FSZVVTKSHLKSNV-RTHLEPHNSA-N -1 0 321.337 -0.424 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1=O ZINC001347627634 980236838 /nfs/dbraw/zinc/23/68/38/980236838.db2.gz FSZVVTKSHLKSNV-RMLUDKJBSA-N -1 0 321.337 -0.424 20 0 DBADRM CS(=O)(=O)C[C@H](C(=O)[N-]OCC(N)=O)c1ccccc1 ZINC001347741832 980245775 /nfs/dbraw/zinc/24/57/75/980245775.db2.gz DNYCEHRYQVSSTI-JTQLQIEISA-N -1 0 300.336 -0.652 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)[N-]OCc2ccccc2)C1 ZINC001347978320 980255579 /nfs/dbraw/zinc/25/55/79/980255579.db2.gz LJSWKBJPAQQNFT-CYBMUJFWSA-N -1 0 305.334 -0.029 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)NCCOCC(=O)[O-])cc1 ZINC001348489967 980311542 /nfs/dbraw/zinc/31/15/42/980311542.db2.gz IVIHDLOAQJAKBX-UHFFFAOYSA-N -1 0 316.335 -0.906 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001595279594 980321122 /nfs/dbraw/zinc/32/11/22/980321122.db2.gz SOOPDIMZPHVGQM-VWYCJHECSA-N -1 0 314.338 -0.234 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001348787802 980362026 /nfs/dbraw/zinc/36/20/26/980362026.db2.gz DGPVWHJYWITPHW-SNVBAGLBSA-N -1 0 323.353 -0.719 20 0 DBADRM CCc1ncncc1C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001348789697 980362869 /nfs/dbraw/zinc/36/28/69/980362869.db2.gz VMPLOXPXIKSRRT-UHFFFAOYSA-N -1 0 318.337 -0.064 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NCc1nnc2n1CCC2)C(=O)[O-] ZINC001348944699 980391167 /nfs/dbraw/zinc/39/11/67/980391167.db2.gz VBXWVSMPBKRPQX-UHFFFAOYSA-N -1 0 323.353 -0.542 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](OC)CC[C@H]1C ZINC001349426608 980467670 /nfs/dbraw/zinc/46/76/70/980467670.db2.gz AYAMCZYEXBEMEG-ZJUUUORDSA-N -1 0 301.343 -0.804 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(c3ccc4nnnn4n3)C2)nn1 ZINC001349486428 980476238 /nfs/dbraw/zinc/47/62/38/980476238.db2.gz FRFKTJGZGIHGHT-SSDOTTSWSA-N -1 0 301.270 -0.740 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNS(=O)(=O)c1ccccc1 ZINC001349644713 980494163 /nfs/dbraw/zinc/49/41/63/980494163.db2.gz QLLJCTSYHURVJN-UHFFFAOYSA-N -1 0 315.351 -0.851 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NCCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001349660705 980495673 /nfs/dbraw/zinc/49/56/73/980495673.db2.gz RNHAGFKRILRCFU-QMMMGPOBSA-N -1 0 311.342 -0.816 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC(C)(C)C[C@@H](C)O ZINC001349719069 980500875 /nfs/dbraw/zinc/50/08/75/980500875.db2.gz VSIIQVYKHVUGJT-SECBINFHSA-N -1 0 303.359 -0.916 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC([C@@H](C)CO)CC1 ZINC001349751973 980504828 /nfs/dbraw/zinc/50/48/28/980504828.db2.gz AGNIVXQMUYDALS-JTQLQIEISA-N -1 0 315.370 -0.963 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1cnc(C)s1 ZINC001349755838 980506456 /nfs/dbraw/zinc/50/64/56/980506456.db2.gz VGVUVXQKSOXZBX-UHFFFAOYSA-N -1 0 314.367 -0.406 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)c2cccnn2)c1[O-] ZINC001349905559 980524731 /nfs/dbraw/zinc/52/47/31/980524731.db2.gz NCSPQRAMVCGDKQ-UHFFFAOYSA-N -1 0 304.310 -0.236 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCSC2)C1 ZINC001349936875 980526304 /nfs/dbraw/zinc/52/63/04/980526304.db2.gz DAXSDKLQEFHXOF-NOZJJQNGSA-N -1 0 316.379 -0.442 20 0 DBADRM CCN1C[C@@H](C)N(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[C@H]1C ZINC001349972802 980529304 /nfs/dbraw/zinc/52/93/04/980529304.db2.gz XHVJGZXPPWPCSR-DDHJBXDOSA-N -1 0 311.382 -0.093 20 0 DBADRM CC[C@H](O)[C@@H](C)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001595325894 980534960 /nfs/dbraw/zinc/53/49/60/980534960.db2.gz CWWGGDZJGKDCSV-NEPJUHHUSA-N -1 0 302.371 -0.361 20 0 DBADRM CC[C@@H](O)CCCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001595328366 980555644 /nfs/dbraw/zinc/55/56/44/980555644.db2.gz QYPBZEGXYHSZHV-GHMZBOCLSA-N -1 0 300.355 -0.023 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001350341555 980562665 /nfs/dbraw/zinc/56/26/65/980562665.db2.gz RAEZPOZYLZZGGA-MYJAWHEDSA-N -1 0 323.353 -0.642 20 0 DBADRM CCC(=O)NCc1nc(CN[C@H](C)C(=O)NC2CC2)cc(=O)[nH]1 ZINC001489071245 1014670381 /nfs/dbraw/zinc/67/03/81/1014670381.db2.gz UXUNAVPUKODNCV-SECBINFHSA-N -1 0 321.381 -0.035 20 0 DBADRM C[C@H](C(=O)NCCOCC(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001351727872 980685976 /nfs/dbraw/zinc/68/59/76/980685976.db2.gz BKDDOQBWXVHAPB-SECBINFHSA-N -1 0 323.367 -0.814 20 0 DBADRM CCCN(C)C(=O)C(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001351734345 980686413 /nfs/dbraw/zinc/68/64/13/980686413.db2.gz DKGWPHJLOWCBTK-JTQLQIEISA-N -1 0 307.354 -0.255 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCN(c2ccccc2)CC1 ZINC001352608639 980735319 /nfs/dbraw/zinc/73/53/19/980735319.db2.gz MUHRHOUMWBKPHZ-UHFFFAOYSA-N -1 0 317.353 -0.323 20 0 DBADRM C/C=C(/C)C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001352795056 980749766 /nfs/dbraw/zinc/74/97/66/980749766.db2.gz FPUFWPHOARXXFK-CHDHTGKKSA-N -1 0 309.326 -0.627 20 0 DBADRM CO[C@@H](C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1)C1CC1 ZINC001530420937 1014688008 /nfs/dbraw/zinc/68/80/08/1014688008.db2.gz RDXPPQRUDVYAHE-GFCCVEGCSA-N -1 0 308.338 -0.211 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCO[C@H](C(F)F)C1 ZINC001353217909 980791076 /nfs/dbraw/zinc/79/10/76/980791076.db2.gz OGVVRDQBRDMMKK-QMMMGPOBSA-N -1 0 308.281 -0.150 20 0 DBADRM CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001353398245 980801733 /nfs/dbraw/zinc/80/17/33/980801733.db2.gz WLSIJMJTVWCCEU-VIFPVBQESA-N -1 0 323.353 -0.719 20 0 DBADRM C[C@@H](CNC(=O)C[C@H]1C=CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001354236838 980838421 /nfs/dbraw/zinc/83/84/21/980838421.db2.gz SMUPZXPWYDGBDL-IUCAKERBSA-N -1 0 321.337 -0.126 20 0 DBADRM C[C@H](CNC(=O)C[C@@H]1C=CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001354236843 980838931 /nfs/dbraw/zinc/83/89/31/980838931.db2.gz SMUPZXPWYDGBDL-RKDXNWHRSA-N -1 0 321.337 -0.126 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)/C=C/C1CC1 ZINC001354605359 980861950 /nfs/dbraw/zinc/86/19/50/980861950.db2.gz ZLUPHXFGWOXCOV-WTSVBCDHSA-N -1 0 309.326 -0.724 20 0 DBADRM CC/C(C)=C\C(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001354603762 980862327 /nfs/dbraw/zinc/86/23/27/980862327.db2.gz JNZYDLFJFDYNGZ-RDOCRHDPSA-N -1 0 311.342 -0.334 20 0 DBADRM CC/C(C)=C/C(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001354603761 980862461 /nfs/dbraw/zinc/86/24/61/980862461.db2.gz JNZYDLFJFDYNGZ-QRJSTWQJSA-N -1 0 311.342 -0.334 20 0 DBADRM CO[C@H](C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1)C1CC1 ZINC001530420938 1014689365 /nfs/dbraw/zinc/68/93/65/1014689365.db2.gz RDXPPQRUDVYAHE-LBPRGKRZSA-N -1 0 308.338 -0.211 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001354879322 980876679 /nfs/dbraw/zinc/87/66/79/980876679.db2.gz FNRNJAMHOMATJR-YUMQZZPRSA-N -1 0 314.260 -0.093 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)NCCO[C@@H]1CCOC1 ZINC001354977964 980881896 /nfs/dbraw/zinc/88/18/96/980881896.db2.gz IUCRJKJIYVIOAN-LLVKDONJSA-N -1 0 302.327 -0.865 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC001355895527 980915196 /nfs/dbraw/zinc/91/51/96/980915196.db2.gz HSISLJYPOJUOGG-CPCISQLKSA-N -1 0 320.300 -0.400 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCOC[C@H](C2CCC2)C1 ZINC001355928732 980916522 /nfs/dbraw/zinc/91/65/22/980916522.db2.gz LUAFKQOCCGKHAP-GFCCVEGCSA-N -1 0 324.385 -0.006 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)Cc2c[nH]cn2)c1[O-] ZINC001357733220 981087135 /nfs/dbraw/zinc/08/71/35/981087135.db2.gz VJSGJVKDRFJJPE-NSCUHMNNSA-N -1 0 318.337 -0.208 20 0 DBADRM C/C=C(/C)C(=O)N(C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001358725170 981177236 /nfs/dbraw/zinc/17/72/36/981177236.db2.gz RMKUQXAHIRRPAH-UITAMQMPSA-N -1 0 320.349 -0.265 20 0 DBADRM CC(C)=CC(=O)N1CC[C@](C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001358801113 981188549 /nfs/dbraw/zinc/18/85/49/981188549.db2.gz JXPOWMKOVREBEU-AWEZNQCLSA-N -1 0 323.353 -0.237 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)CC1=O ZINC001596402910 1017139851 /nfs/dbraw/zinc/13/98/51/1017139851.db2.gz RLYFQSCPBJFJMP-JOYOIKCWSA-N -1 0 320.367 -0.982 20 0 DBADRM CCN1CC[C@@H](NS(=O)(=O)c2csnc2C(=O)[O-])C1=O ZINC001596410109 1017139861 /nfs/dbraw/zinc/13/98/61/1017139861.db2.gz HRKPYMSODZFSTE-ZCFIWIBFSA-N -1 0 319.364 -0.260 20 0 DBADRM CO[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H]1C ZINC001361458175 981235558 /nfs/dbraw/zinc/23/55/58/981235558.db2.gz VMKAJBTZBCWBBY-KOLCDFICSA-N -1 0 305.338 -0.045 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)c2nccnc2SC)n1 ZINC001361489113 981241943 /nfs/dbraw/zinc/24/19/43/981241943.db2.gz KIANYTWMFAYTRS-UHFFFAOYSA-N -1 0 307.339 -0.212 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2CCCc3c(=O)[nH]cnc32)c1=O ZINC001361599400 981269380 /nfs/dbraw/zinc/26/93/80/981269380.db2.gz NXFLDSDNHNUJDE-UHFFFAOYSA-N -1 0 317.305 -0.978 20 0 DBADRM COC1(C(=O)N2CCCc3c(=O)[nH]cnc32)CS(=O)(=O)C1 ZINC001361598961 981269516 /nfs/dbraw/zinc/26/95/16/981269516.db2.gz GFGGJLZUKKGUNX-UHFFFAOYSA-N -1 0 313.335 -0.725 20 0 DBADRM C[C@H]1Cn2ncnc2N(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001361603774 981270679 /nfs/dbraw/zinc/27/06/79/981270679.db2.gz GBAMNQUZDJYCFB-MRVPVSSYSA-N -1 0 314.309 -0.654 20 0 DBADRM COC(=O)[C@H](C)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001361622335 981276223 /nfs/dbraw/zinc/27/62/23/981276223.db2.gz AYIZAGYDQXDVKY-ZETCQYMHSA-N -1 0 306.278 -0.443 20 0 DBADRM CN(C)C(=O)c1cccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001361647495 981287429 /nfs/dbraw/zinc/28/74/29/981287429.db2.gz MAJGWRFILQGJQA-UHFFFAOYSA-N -1 0 319.321 -0.293 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCC(=O)NCc1ccccc1 ZINC001361647636 981288246 /nfs/dbraw/zinc/28/82/46/981288246.db2.gz NTYXFHFIEOIKFY-UHFFFAOYSA-N -1 0 302.338 -0.045 20 0 DBADRM CC(C)NC(=O)CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001361653561 981289788 /nfs/dbraw/zinc/28/97/88/981289788.db2.gz BZUJSNRUVBDFNL-UHFFFAOYSA-N -1 0 317.353 -0.281 20 0 DBADRM COc1ccc(C(=O)N(C)c2nnn[n-]2)cc1S(C)(=O)=O ZINC001361666919 981293538 /nfs/dbraw/zinc/29/35/38/981293538.db2.gz LPJKSFTXQASULW-UHFFFAOYSA-N -1 0 311.323 -0.112 20 0 DBADRM COC(=O)[C@H]1CCN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001361687228 981297457 /nfs/dbraw/zinc/29/74/57/981297457.db2.gz LFVNEXBLFSHALJ-SECBINFHSA-N -1 0 313.335 -0.159 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC001361695505 981299315 /nfs/dbraw/zinc/29/93/15/981299315.db2.gz YCNAURNINANNLR-ZCFIWIBFSA-N -1 0 309.248 -0.558 20 0 DBADRM COCCn1cc(NC(=O)CCCc2nnn[n-]2)ccc1=O ZINC001361703380 981301063 /nfs/dbraw/zinc/30/10/63/981301063.db2.gz YDYOWAUQMHZSTQ-UHFFFAOYSA-N -1 0 306.326 -0.031 20 0 DBADRM CC(C)CNC(=O)[C@@H]1CSCN1C(=O)CCc1nnn[n-]1 ZINC001361751420 981311999 /nfs/dbraw/zinc/31/19/99/981311999.db2.gz QPHZVFOADQTDJN-VIFPVBQESA-N -1 0 312.399 -0.194 20 0 DBADRM CC(C)n1cnnc1CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001361767210 981316782 /nfs/dbraw/zinc/31/67/82/981316782.db2.gz UQHPNMSAYMHLFD-UHFFFAOYSA-N -1 0 309.330 -0.042 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)CC1=O ZINC001596402909 1017139998 /nfs/dbraw/zinc/13/99/98/1017139998.db2.gz RLYFQSCPBJFJMP-CABZTGNLSA-N -1 0 320.367 -0.982 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001361794207 981325744 /nfs/dbraw/zinc/32/57/44/981325744.db2.gz AMGVJWWFUARWCO-YFKPBYRVSA-N -1 0 315.127 -0.108 20 0 DBADRM NC(=O)CC1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001361841757 981339024 /nfs/dbraw/zinc/33/90/24/981339024.db2.gz CIDDAAOFFRYUMB-UHFFFAOYSA-N -1 0 318.337 -0.815 20 0 DBADRM NC(=O)CC1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001361846172 981339766 /nfs/dbraw/zinc/33/97/66/981339766.db2.gz PGFRWINZHKANPJ-UHFFFAOYSA-N -1 0 303.322 -0.250 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC001361853326 981342181 /nfs/dbraw/zinc/34/21/81/981342181.db2.gz HWFORZQFCCLDJQ-SNVBAGLBSA-N -1 0 323.353 -0.261 20 0 DBADRM COC(=O)CCN(CC(C)C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001361878401 981347774 /nfs/dbraw/zinc/34/77/74/981347774.db2.gz XYMBSCZBLDKJPA-UHFFFAOYSA-N -1 0 300.315 -0.263 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1nnc2n1CCCCC2 ZINC001361883095 981348583 /nfs/dbraw/zinc/34/85/83/981348583.db2.gz LBMUXJMMQMCKBI-QMMMGPOBSA-N -1 0 321.341 -0.115 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1nnc2n1CCCCC2 ZINC001361883088 981349081 /nfs/dbraw/zinc/34/90/81/981349081.db2.gz LBMUXJMMQMCKBI-MRVPVSSYSA-N -1 0 321.341 -0.115 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)c1[O-] ZINC001361885332 981349232 /nfs/dbraw/zinc/34/92/32/981349232.db2.gz WAAXPGNFILGNDR-UHFFFAOYSA-N -1 0 323.353 -0.366 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001361889492 981350084 /nfs/dbraw/zinc/35/00/84/981350084.db2.gz KNJUGIDTVDCFLF-ZETCQYMHSA-N -1 0 315.355 -0.051 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)N1CCCC[C@@H]1C ZINC001361925354 981362681 /nfs/dbraw/zinc/36/26/81/981362681.db2.gz KMOHKTBZUXLJPT-IUCAKERBSA-N -1 0 311.342 -0.405 20 0 DBADRM CN(C)C(=O)CCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001361937379 981366905 /nfs/dbraw/zinc/36/69/05/981366905.db2.gz OULHLUYBRYHMIU-UHFFFAOYSA-N -1 0 319.321 -0.526 20 0 DBADRM NC(=O)COC1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001361953681 981371994 /nfs/dbraw/zinc/37/19/94/981371994.db2.gz PYIHIRYKWZSLAS-UHFFFAOYSA-N -1 0 319.321 -0.871 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1ccc(C(=O)OC)cc1 ZINC001361956882 981372800 /nfs/dbraw/zinc/37/28/00/981372800.db2.gz MREISXXAPVEXKP-UHFFFAOYSA-N -1 0 305.294 -0.220 20 0 DBADRM O=C(CCc1nnn[n-]1)NCCS(=O)(=O)Cc1ccccc1 ZINC001361962415 981374679 /nfs/dbraw/zinc/37/46/79/981374679.db2.gz ZZFSRRPZLXXMIL-UHFFFAOYSA-N -1 0 323.378 -0.137 20 0 DBADRM C[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)NC(C)(C)C ZINC001361972851 981376043 /nfs/dbraw/zinc/37/60/43/981376043.db2.gz FCLVROFTWXSVCN-MRVPVSSYSA-N -1 0 313.358 -0.111 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1s[n-]c(=O)c1Cl ZINC001361981510 981377849 /nfs/dbraw/zinc/37/78/49/981377849.db2.gz DYNFVRVNTOYHRV-UHFFFAOYSA-N -1 0 321.742 -0.007 20 0 DBADRM CS(=O)(=O)Nc1cccc(CNC(=O)CCc2nnn[n-]2)c1 ZINC001362030444 981391460 /nfs/dbraw/zinc/39/14/60/981391460.db2.gz QNDFWRADXBDDPW-UHFFFAOYSA-N -1 0 324.366 -0.180 20 0 DBADRM CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001362029087 981391813 /nfs/dbraw/zinc/39/18/13/981391813.db2.gz MKFREXXWWKPZQV-MRVPVSSYSA-N -1 0 318.355 -0.885 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCn2ccnc2)c1 ZINC001362041015 981396238 /nfs/dbraw/zinc/39/62/38/981396238.db2.gz HVDIOPGZSSXSLW-UHFFFAOYSA-N -1 0 310.335 -0.334 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC001362042336 981396623 /nfs/dbraw/zinc/39/66/23/981396623.db2.gz KDHBPNWZYDVZGV-SECBINFHSA-N -1 0 305.294 -0.016 20 0 DBADRM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nnn[n-]1 ZINC001362053467 981399799 /nfs/dbraw/zinc/39/97/99/981399799.db2.gz KOWAJGBUWVGZEQ-LBPRGKRZSA-N -1 0 316.365 -0.052 20 0 DBADRM O=C(NCc1nnc2n1CCCCC2)c1n[nH]c(=O)[n-]c1=O ZINC001362051547 981400194 /nfs/dbraw/zinc/40/01/94/981400194.db2.gz XLZZGLBXWWBGOG-UHFFFAOYSA-N -1 0 305.298 -0.469 20 0 DBADRM Cc1nc(CN2CCN(C(=O)CCc3nnn[n-]3)CC2)no1 ZINC001362057736 981403060 /nfs/dbraw/zinc/40/30/60/981403060.db2.gz GSURPDKVCCIRBP-UHFFFAOYSA-N -1 0 306.330 -0.832 20 0 DBADRM COC(=O)CN(C)C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001362080871 981412168 /nfs/dbraw/zinc/41/21/68/981412168.db2.gz CCBBNCWTNVHZGS-UHFFFAOYSA-N -1 0 319.321 -0.183 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362083684 981414072 /nfs/dbraw/zinc/41/40/72/981414072.db2.gz ATCJBYMSYHXKJU-LBPRGKRZSA-N -1 0 302.338 -0.082 20 0 DBADRM CCN(C(=O)CCCc1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC001362087799 981415486 /nfs/dbraw/zinc/41/54/86/981415486.db2.gz VXLDNKONNNNNKQ-VIFPVBQESA-N -1 0 301.372 -0.442 20 0 DBADRM C[S@](=O)C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1 ZINC001362093577 981416371 /nfs/dbraw/zinc/41/63/71/981416371.db2.gz AMCKDWLWZMKVAI-STFLBKPXSA-N -1 0 324.362 -0.075 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)CCCc1nnn[n-]1)CC2 ZINC001362093319 981416843 /nfs/dbraw/zinc/41/68/43/981416843.db2.gz KFRIDSSTIBWXRP-VIFPVBQESA-N -1 0 320.357 -0.609 20 0 DBADRM COC(=O)C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001362105146 981422607 /nfs/dbraw/zinc/42/26/07/981422607.db2.gz XIMDTKROORWMCZ-VIFPVBQESA-N -1 0 312.326 -0.073 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)CCCc2nnn[n-]2)cn1 ZINC001362116787 981425707 /nfs/dbraw/zinc/42/57/07/981425707.db2.gz FHFMAEWJPURAQA-UHFFFAOYSA-N -1 0 306.330 -0.554 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)C[C@@H]2COC(=O)C2)s1 ZINC001362131893 981432307 /nfs/dbraw/zinc/43/23/07/981432307.db2.gz FCSTYOHWNVGFMZ-YFKPBYRVSA-N -1 0 320.352 -0.199 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC001362132882 981434144 /nfs/dbraw/zinc/43/41/44/981434144.db2.gz HRVPEKXRCTWZAC-ZETCQYMHSA-N -1 0 323.275 -0.310 20 0 DBADRM CNC(=O)[C@H]1CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001362150251 981440508 /nfs/dbraw/zinc/44/05/08/981440508.db2.gz YCHOEXQUIQJDSD-VIFPVBQESA-N -1 0 311.342 -0.546 20 0 DBADRM CCN(C(=O)CCc1nnn[n-]1)[C@@H](C)CS(=O)(=O)CC ZINC001362154018 981440823 /nfs/dbraw/zinc/44/08/23/981440823.db2.gz JHPNMTFMTSYIEE-VIFPVBQESA-N -1 0 303.388 -0.196 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCO1 ZINC001362185658 981453072 /nfs/dbraw/zinc/45/30/72/981453072.db2.gz JAVQHFMZVMGWBC-SSDOTTSWSA-N -1 0 316.339 -0.607 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001362187831 981453637 /nfs/dbraw/zinc/45/36/37/981453637.db2.gz GKGMPGHXBASINE-LBPRGKRZSA-N -1 0 311.342 -0.705 20 0 DBADRM Cn1[n-]c(C(=O)NC2CCN([C@H]3CCOC3=O)CC2)cc1=O ZINC001362197434 981456397 /nfs/dbraw/zinc/45/63/97/981456397.db2.gz DVTJCQMXLQYHLA-NSHDSACASA-N -1 0 308.338 -0.365 20 0 DBADRM O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1c[n-]ncc1=O ZINC001362194363 981456519 /nfs/dbraw/zinc/45/65/19/981456519.db2.gz NLCFUMRIBPVYCZ-QMMMGPOBSA-N -1 0 323.334 -0.009 20 0 DBADRM CCC[C@@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)c1nnn[n-]1 ZINC001362202412 981459383 /nfs/dbraw/zinc/45/93/83/981459383.db2.gz CVBMZLHKPKQBCC-SECBINFHSA-N -1 0 313.383 -0.018 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001362208715 981461360 /nfs/dbraw/zinc/46/13/60/981461360.db2.gz WZNFCQPWKYOEJO-NSHDSACASA-N -1 0 322.369 -0.628 20 0 DBADRM CC[C@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C(=O)OC ZINC001362206597 981461423 /nfs/dbraw/zinc/46/14/23/981461423.db2.gz KZJFRVXSYIWIMI-JTQLQIEISA-N -1 0 320.305 -0.052 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cccn1CCN1CCOCC1 ZINC001362209927 981461775 /nfs/dbraw/zinc/46/17/75/981461775.db2.gz LTEFAUMCCJTURD-UHFFFAOYSA-N -1 0 320.353 -0.426 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](O)COc1ccccc1 ZINC001362244512 981478732 /nfs/dbraw/zinc/47/87/32/981478732.db2.gz JUITWWPHADPYBO-SECBINFHSA-N -1 0 308.294 -0.755 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC001362283809 981496462 /nfs/dbraw/zinc/49/64/62/981496462.db2.gz GRBUUANSSZTMBR-VIFPVBQESA-N -1 0 323.353 -0.261 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)CCc2nnn[n-]2)CC1 ZINC001362301585 981505941 /nfs/dbraw/zinc/50/59/41/981505941.db2.gz OBPGHYDUSUPZGC-UHFFFAOYSA-N -1 0 316.387 -0.937 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001362311520 981508850 /nfs/dbraw/zinc/50/88/50/981508850.db2.gz NYMCXSCQMNPFJM-SECBINFHSA-N -1 0 324.337 -0.060 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@H](CO)C(=O)OCc1ccccc1 ZINC001362318275 981512204 /nfs/dbraw/zinc/51/22/04/981512204.db2.gz HIJCTNZDGFTTMX-LLVKDONJSA-N -1 0 319.321 -0.647 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(c2ncccc2F)CC1 ZINC001362318689 981512497 /nfs/dbraw/zinc/51/24/97/981512497.db2.gz VFFPLFJTVWQWCR-UHFFFAOYSA-N -1 0 320.284 -0.221 20 0 DBADRM Cn1cccc1[C@H]1COCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362320199 981513702 /nfs/dbraw/zinc/51/37/02/981513702.db2.gz LEMHTURTMXBWPT-SECBINFHSA-N -1 0 305.294 -0.165 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCO[C@@H](c2ncon2)C1 ZINC001362331315 981518506 /nfs/dbraw/zinc/51/85/06/981518506.db2.gz FXPCDDSRTGFGJS-MRVPVSSYSA-N -1 0 324.297 -0.547 20 0 DBADRM C[C@H]1CCS(=O)(=O)CCN1C(=O)CCCc1nnn[n-]1 ZINC001362336287 981519299 /nfs/dbraw/zinc/51/92/99/981519299.db2.gz GCUIMZUSXZEMFE-VIFPVBQESA-N -1 0 301.372 -0.442 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001362338327 981520553 /nfs/dbraw/zinc/52/05/53/981520553.db2.gz UJHDKSUBIZBQOA-RKDXNWHRSA-N -1 0 300.336 -0.035 20 0 DBADRM COC(=O)Cc1nc(NC(=O)COc2c(=O)ccoc2C)n[nH]1 ZINC001362342932 981522897 /nfs/dbraw/zinc/52/28/97/981522897.db2.gz ZMXXKKLJDQJHTN-UHFFFAOYSA-N -1 0 322.277 -0.201 20 0 DBADRM CCOC(=O)N1CSC[C@H]1C(=O)NCc1nc(=O)o[n-]1 ZINC001362347971 981524183 /nfs/dbraw/zinc/52/41/83/981524183.db2.gz MPZJQYQQLSDWDC-LURJTMIESA-N -1 0 302.312 -0.490 20 0 DBADRM C[C@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@@H](CO)O1 ZINC001362361253 981531028 /nfs/dbraw/zinc/53/10/28/981531028.db2.gz GQQADGJMQLAUSI-CABZTGNLSA-N -1 0 318.337 -0.703 20 0 DBADRM Cn1ccnc1COCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362359641 981531387 /nfs/dbraw/zinc/53/13/87/981531387.db2.gz URTYWBQSMAURNS-SNVBAGLBSA-N -1 0 305.342 -0.144 20 0 DBADRM COCCn1cc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)cn1 ZINC001362366838 981532591 /nfs/dbraw/zinc/53/25/91/981532591.db2.gz MLBWUOKYSIHBRE-JTQLQIEISA-N -1 0 323.382 -0.027 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)CCc2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC001362372364 981535256 /nfs/dbraw/zinc/53/52/56/981535256.db2.gz FIEAHHTYSVYXMG-WCBMZHEXSA-N -1 0 318.341 -0.824 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)CCc2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC001362372355 981535605 /nfs/dbraw/zinc/53/56/05/981535605.db2.gz FIEAHHTYSVYXMG-SCZZXKLOSA-N -1 0 318.341 -0.824 20 0 DBADRM O=C(c1cccnc1OCCO)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362379213 981538999 /nfs/dbraw/zinc/53/89/99/981538999.db2.gz XHQMUANIBOWGJF-SNVBAGLBSA-N -1 0 318.337 -0.014 20 0 DBADRM O=C(c1cnc2n1CCCC2)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362390090 981543981 /nfs/dbraw/zinc/54/39/81/981543981.db2.gz UBPKOJODFRJFGE-UHFFFAOYSA-N -1 0 317.353 -0.144 20 0 DBADRM Cc1nnc(CCNC(=O)CCCn2c(=O)[n-][nH]c2=O)n1C ZINC001362391572 981544217 /nfs/dbraw/zinc/54/42/17/981544217.db2.gz GDQGAHZPEBYITA-UHFFFAOYSA-N -1 0 309.330 -0.735 20 0 DBADRM CC1(C)[C@H](O)C[C@H]1NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362406650 981552058 /nfs/dbraw/zinc/55/20/58/981552058.db2.gz JYCKMVCYVFMBKO-GHMZBOCLSA-N -1 0 302.338 -0.036 20 0 DBADRM Cn1[nH]c([C@@H]2CCCN2C(=O)CCCc2nnn[n-]2)nc1=N ZINC001362408932 981554163 /nfs/dbraw/zinc/55/41/63/981554163.db2.gz LYNMDUZPXCBYOJ-QMMMGPOBSA-N -1 0 305.346 -0.573 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362407154 981554428 /nfs/dbraw/zinc/55/44/28/981554428.db2.gz NPQGVDXMYOIEIF-DTWKUNHWSA-N -1 0 301.372 -0.414 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@@H]1O ZINC001362413067 981557335 /nfs/dbraw/zinc/55/73/35/981557335.db2.gz WJSAMIFSFATSRI-SKDRFNHKSA-N -1 0 302.338 -0.082 20 0 DBADRM Cn1ccnc1N1CCC(NC(=O)CCc2nnn[n-]2)CC1 ZINC001362422091 981562172 /nfs/dbraw/zinc/56/21/72/981562172.db2.gz XOVFOGAOHVTOFX-UHFFFAOYSA-N -1 0 304.358 -0.349 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(c3nc(N)ns3)CC2)c1[O-] ZINC001362431766 981566127 /nfs/dbraw/zinc/56/61/27/981566127.db2.gz JVNZZVSDORSSKL-UHFFFAOYSA-N -1 0 309.355 -0.180 20 0 DBADRM O=C([C@@H]1CCc2nccn2C1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362438621 981572407 /nfs/dbraw/zinc/57/24/07/981572407.db2.gz UVGZKOZZGUKMTP-SNVBAGLBSA-N -1 0 317.353 -0.531 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[nH]1 ZINC001362442873 981574187 /nfs/dbraw/zinc/57/41/87/981574187.db2.gz WKJDKTOMTMDOBV-LURJTMIESA-N -1 0 302.298 -0.625 20 0 DBADRM Cc1cccc(OC[C@@H](O)CNC(=O)CCc2nnn[n-]2)c1 ZINC001362443505 981574236 /nfs/dbraw/zinc/57/42/36/981574236.db2.gz WAJGSVRWIUZOOC-NSHDSACASA-N -1 0 305.338 -0.003 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@]1(C)CCCS1(=O)=O)c1nnn[n-]1 ZINC001362457781 981580389 /nfs/dbraw/zinc/58/03/89/981580389.db2.gz WZURMHUSUDIFKA-LDYMZIIASA-N -1 0 301.372 -0.271 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001362457757 981580476 /nfs/dbraw/zinc/58/04/76/981580476.db2.gz WLXLENXNPUFJJF-SECBINFHSA-N -1 0 324.362 -0.328 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCCC12OCCO2 ZINC001362471150 981587906 /nfs/dbraw/zinc/58/79/06/981587906.db2.gz XRSSJWMFUXQALC-VIFPVBQESA-N -1 0 320.367 -0.888 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)CC1=O ZINC001596403207 1017140502 /nfs/dbraw/zinc/14/05/02/1017140502.db2.gz WXHOCJDFXLSABQ-GZMMTYOYSA-N -1 0 322.408 -0.513 20 0 DBADRM CC[C@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@@H]1O ZINC001362478861 981591351 /nfs/dbraw/zinc/59/13/51/981591351.db2.gz BTFBLRSVNYUJOO-CABZTGNLSA-N -1 0 302.338 -0.082 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)o1 ZINC001362480227 981593375 /nfs/dbraw/zinc/59/33/75/981593375.db2.gz MWLORHZGGLYBJJ-LURJTMIESA-N -1 0 303.282 -0.360 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC[C@@H](N2CCCC2=O)C1 ZINC001362486549 981595871 /nfs/dbraw/zinc/59/58/71/981595871.db2.gz WGEARSSLSHSJQI-SNVBAGLBSA-N -1 0 315.333 -0.141 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)c1nc[n-]c(=O)c1Br ZINC001362486178 981596277 /nfs/dbraw/zinc/59/62/77/981596277.db2.gz GTHNYDJXUJGEBG-SCSAIBSYSA-N -1 0 303.116 -0.191 20 0 DBADRM C[C@H](CN(C)C(=O)C1CCS(=O)(=O)CC1)c1nnn[n-]1 ZINC001362494299 981600246 /nfs/dbraw/zinc/60/02/46/981600246.db2.gz BCQZVTXYKVBWCB-MRVPVSSYSA-N -1 0 301.372 -0.414 20 0 DBADRM CC(CO)(CO)CNC(=O)c1nc[n-]c(=O)c1Br ZINC001362494068 981600666 /nfs/dbraw/zinc/60/06/66/981600666.db2.gz HQNLSJKMANRINI-UHFFFAOYSA-N -1 0 320.143 -0.335 20 0 DBADRM O=C(CCc1nnn[n-]1)NC[C@H](O)COc1ccc(F)cc1 ZINC001362503340 981604196 /nfs/dbraw/zinc/60/41/96/981604196.db2.gz GQEGLYPTKBGNKR-JTQLQIEISA-N -1 0 309.301 -0.173 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@H](C)S(N)(=O)=O)cc1=O ZINC001362505117 981605671 /nfs/dbraw/zinc/60/56/71/981605671.db2.gz RJWSRJOWONIZIF-VIFPVBQESA-N -1 0 318.399 -0.832 20 0 DBADRM O=C(CO)NCCC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001362517346 981617548 /nfs/dbraw/zinc/61/75/48/981617548.db2.gz JXHYDDHIBKKSLV-UHFFFAOYSA-N -1 0 305.294 -0.386 20 0 DBADRM NC(=O)N1CCC[C@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001362522296 981620849 /nfs/dbraw/zinc/62/08/49/981620849.db2.gz ZYYADIUJDYORRU-SECBINFHSA-N -1 0 318.337 -0.457 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCc2nc(=O)o[n-]2)C1 ZINC001362522842 981621309 /nfs/dbraw/zinc/62/13/09/981621309.db2.gz GBSJAXREIPIRPJ-QMMMGPOBSA-N -1 0 312.326 -0.747 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)[N-]N2CCCC2=O)c(Cl)o1 ZINC001362533623 981641857 /nfs/dbraw/zinc/64/18/57/981641857.db2.gz VVQQEXBEYDORBT-UHFFFAOYSA-N -1 0 307.715 -0.152 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1F ZINC001362557134 981672872 /nfs/dbraw/zinc/67/28/72/981672872.db2.gz LEZCNBHRXAHBFY-JTQLQIEISA-N -1 0 324.268 -0.141 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC001362561204 981680338 /nfs/dbraw/zinc/68/03/38/981680338.db2.gz IZKILZPAPPAXIY-JTQLQIEISA-N -1 0 322.369 -0.732 20 0 DBADRM COCc1nocc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362561541 981682714 /nfs/dbraw/zinc/68/27/14/981682714.db2.gz NKPWQETWOHILNI-UHFFFAOYSA-N -1 0 308.298 -0.542 20 0 DBADRM O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001362560658 981683793 /nfs/dbraw/zinc/68/37/93/981683793.db2.gz RPRZSYVGFQEDGE-MRVPVSSYSA-N -1 0 321.337 -0.054 20 0 DBADRM COCc1nn(C)cc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362562917 981685351 /nfs/dbraw/zinc/68/53/51/981685351.db2.gz RRGYSKKQPOJJTF-UHFFFAOYSA-N -1 0 321.341 -0.797 20 0 DBADRM O=C(CCc1nnn[n-]1)NCc1cccc(N2CCOCC2)n1 ZINC001362563919 981687209 /nfs/dbraw/zinc/68/72/09/981687209.db2.gz UVXFEFNBUNLKTE-UHFFFAOYSA-N -1 0 317.353 -0.320 20 0 DBADRM Cc1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c(C)nn1 ZINC001362564944 981688009 /nfs/dbraw/zinc/68/80/09/981688009.db2.gz XWRUQJCIPDXCSF-UHFFFAOYSA-N -1 0 303.326 -0.270 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC001362569581 981704269 /nfs/dbraw/zinc/70/42/69/981704269.db2.gz IUWDFNWIVMWWTG-VHSXEESVSA-N -1 0 313.383 -0.300 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CCN(c2cccnn2)CC1 ZINC001362578352 981717637 /nfs/dbraw/zinc/71/76/37/981717637.db2.gz CQSZXESEGXABRZ-UHFFFAOYSA-N -1 0 319.325 -0.736 20 0 DBADRM Cc1nnc([C@H]2CCN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C2)[nH]1 ZINC001362582850 981724503 /nfs/dbraw/zinc/72/45/03/981724503.db2.gz BNCYMXQPBVTWOO-VIFPVBQESA-N -1 0 321.341 -0.088 20 0 DBADRM Cc1ccccc1C[C@H](CO)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362591846 981733894 /nfs/dbraw/zinc/73/38/94/981733894.db2.gz QJUSJSHCKIBUGG-LLVKDONJSA-N -1 0 306.322 -0.282 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CCN1CC(F)(F)F ZINC001362600075 981743195 /nfs/dbraw/zinc/74/31/95/981743195.db2.gz GXCNSZFGINPCAK-SSDOTTSWSA-N -1 0 323.275 -0.216 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC001362615017 981759454 /nfs/dbraw/zinc/75/94/54/981759454.db2.gz ATYNPIOOIRTNAR-QMMMGPOBSA-N -1 0 305.342 -0.260 20 0 DBADRM CN(C)C(=O)O[C@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001362617382 981763390 /nfs/dbraw/zinc/76/33/90/981763390.db2.gz ZTCLONLKCSISAR-ZETCQYMHSA-N -1 0 315.355 -0.099 20 0 DBADRM O=C(NCC(F)(F)CO)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362625837 981770542 /nfs/dbraw/zinc/77/05/42/981770542.db2.gz HWSQZWCMTPVBCQ-UHFFFAOYSA-N -1 0 314.248 -0.376 20 0 DBADRM CCC(CC)(NC(=O)Cn1ccc(=O)[nH]c1=O)c1nnn[n-]1 ZINC001362633501 981779870 /nfs/dbraw/zinc/77/98/70/981779870.db2.gz RVUJJALQAZQSIS-UHFFFAOYSA-N -1 0 307.314 -0.706 20 0 DBADRM Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2c[n-]ncc2=O)cn1 ZINC001362644122 981791341 /nfs/dbraw/zinc/79/13/41/981791341.db2.gz KAXWYIFVQHGKQX-XFNZEKPQSA-N -1 0 321.362 -0.139 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC001362645332 981792017 /nfs/dbraw/zinc/79/20/17/981792017.db2.gz RNUIQVNVQZYUKN-INEUFUBQSA-N -1 0 308.216 -0.189 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H](O)Cc1ccccc1 ZINC001362646282 981793451 /nfs/dbraw/zinc/79/34/51/981793451.db2.gz DZRFFJMELVXJCP-KOLCDFICSA-N -1 0 306.322 -0.202 20 0 DBADRM CCOc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)on1 ZINC001362645906 981794312 /nfs/dbraw/zinc/79/43/12/981794312.db2.gz OJNGLHPMFCUJBN-UHFFFAOYSA-N -1 0 305.312 -0.731 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ncc2ccccn21 ZINC001362647236 981794587 /nfs/dbraw/zinc/79/45/87/981794587.db2.gz QAYLJJDOWDOBDM-UHFFFAOYSA-N -1 0 310.335 -0.470 20 0 DBADRM COc1cccnc1CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001362648760 981798804 /nfs/dbraw/zinc/79/88/04/981798804.db2.gz VCPKVNUSLWXDMN-UHFFFAOYSA-N -1 0 315.351 -0.785 20 0 DBADRM COC[C@H](CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1)OC ZINC001362666201 981808740 /nfs/dbraw/zinc/80/87/40/981808740.db2.gz ODQLMWCTURIWTF-LBPRGKRZSA-N -1 0 320.353 -0.144 20 0 DBADRM O=C(Cn1cc(C2CC2)nn1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362675001 981812083 /nfs/dbraw/zinc/81/20/83/981812083.db2.gz UVIPNCIAPZMNCR-SNVBAGLBSA-N -1 0 320.382 -0.015 20 0 DBADRM COC(=O)C(C)(C)N1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001362683590 981817151 /nfs/dbraw/zinc/81/71/51/981817151.db2.gz AHZMPXXQYCDUEY-UHFFFAOYSA-N -1 0 324.385 -0.382 20 0 DBADRM NC(=O)Cc1occc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362687385 981817659 /nfs/dbraw/zinc/81/76/59/981817659.db2.gz LHOLCVJKCWRHRE-QMMMGPOBSA-N -1 0 304.310 -0.160 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)O1 ZINC001362687325 981818373 /nfs/dbraw/zinc/81/83/73/981818373.db2.gz KLQVUOFSYWBCHE-MXWKQRLJSA-N -1 0 322.369 -0.281 20 0 DBADRM O=C(CCn1cnccc1=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362689396 981819622 /nfs/dbraw/zinc/81/96/22/981819622.db2.gz QMIRROZKHUKGDI-JTQLQIEISA-N -1 0 303.326 -0.447 20 0 DBADRM Cc1cnc(CCNC(=O)CCCn2c(=O)[n-][nH]c2=O)cn1 ZINC001362694205 981823502 /nfs/dbraw/zinc/82/35/02/981823502.db2.gz KANITMRKSSXCLW-UHFFFAOYSA-N -1 0 306.326 -0.073 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H](CO)CC(F)(F)F ZINC001362698085 981826652 /nfs/dbraw/zinc/82/66/52/981826652.db2.gz VNXHWYKLYMNHNH-ZCFIWIBFSA-N -1 0 312.248 -0.101 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)N[C@@H]3CN(C)NC3=O)cc2=O)cc1 ZINC001362713209 981838951 /nfs/dbraw/zinc/83/89/51/981838951.db2.gz JVGHHKPDDNWSGC-GFCCVEGCSA-N -1 0 315.333 -0.451 20 0 DBADRM COc1c(C)[nH]cc(CN(C)C(=O)CCc2nnn[n-]2)c1=O ZINC001362721229 981846597 /nfs/dbraw/zinc/84/65/97/981846597.db2.gz KEFUWQMKFBBULL-UHFFFAOYSA-N -1 0 306.326 -0.204 20 0 DBADRM COc1cccc(CC(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001362728219 981850881 /nfs/dbraw/zinc/85/08/81/981850881.db2.gz WNFVAAHBGGSRSS-UHFFFAOYSA-N -1 0 318.337 -0.344 20 0 DBADRM Cc1nccc(CCC(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001362727558 981851448 /nfs/dbraw/zinc/85/14/48/981851448.db2.gz SQMXRVZJHUPMRX-UHFFFAOYSA-N -1 0 317.353 -0.259 20 0 DBADRM COc1cncc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001362727512 981851718 /nfs/dbraw/zinc/85/17/18/981851718.db2.gz SFWLZGBNDYIILT-UHFFFAOYSA-N -1 0 305.298 -0.878 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362728157 981851953 /nfs/dbraw/zinc/85/19/53/981851953.db2.gz VNYDVNYOGPBIMU-JTQLQIEISA-N -1 0 319.369 -0.378 20 0 DBADRM CNc1ncccc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362729377 981852710 /nfs/dbraw/zinc/85/27/10/981852710.db2.gz XCQMWAIJOYVDBI-UHFFFAOYSA-N -1 0 303.326 -0.240 20 0 DBADRM CCc1ncncc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362728698 981853248 /nfs/dbraw/zinc/85/32/48/981853248.db2.gz GENPUWAKEOWWID-UHFFFAOYSA-N -1 0 303.326 -0.324 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@@H](O)c1ccncc1 ZINC001362731770 981854529 /nfs/dbraw/zinc/85/45/29/981854529.db2.gz TVUPKCNVCSHYMQ-SNVBAGLBSA-N -1 0 307.310 -0.286 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362731371 981855047 /nfs/dbraw/zinc/85/50/47/981855047.db2.gz MIKOKVMBHDYHQR-LLVKDONJSA-N -1 0 324.385 -0.440 20 0 DBADRM O=C(c1cc2n(n1)CCCO2)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362732637 981855525 /nfs/dbraw/zinc/85/55/25/981855525.db2.gz SLYZPYUNSJIKAZ-UHFFFAOYSA-N -1 0 319.325 -0.698 20 0 DBADRM NC(=O)c1csc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1 ZINC001362758928 981870251 /nfs/dbraw/zinc/87/02/51/981870251.db2.gz JJYMUOWCXORCSO-SSDOTTSWSA-N -1 0 308.323 -0.426 20 0 DBADRM NC(=O)c1csc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)c1 ZINC001362758931 981870296 /nfs/dbraw/zinc/87/02/96/981870296.db2.gz JJYMUOWCXORCSO-ZETCQYMHSA-N -1 0 308.323 -0.426 20 0 DBADRM O=C([C@@H]1CCc2c[nH]nc2C1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001362760465 981871557 /nfs/dbraw/zinc/87/15/57/981871557.db2.gz MIOYJWCSSJKGOS-KCJUWKMLSA-N -1 0 303.326 -0.372 20 0 DBADRM O=C([C@H]1CCc2n[nH]cc2C1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001362761704 981872223 /nfs/dbraw/zinc/87/22/23/981872223.db2.gz OZLPPDQMWFZREF-KWQFWETISA-N -1 0 303.326 -0.372 20 0 DBADRM COC[C@](C)(CO)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362764642 981874484 /nfs/dbraw/zinc/87/44/84/981874484.db2.gz LQHDNPATJJSQKA-AWEZNQCLSA-N -1 0 322.321 -0.607 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001362782455 981884112 /nfs/dbraw/zinc/88/41/12/981884112.db2.gz DVDNVUXCZOHMPQ-HTQZYQBOSA-N -1 0 312.288 -0.355 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCN(C(=O)C2CC2)C1 ZINC001362791759 981889290 /nfs/dbraw/zinc/88/92/90/981889290.db2.gz UNDWDQBDMFYPNR-UHFFFAOYSA-N -1 0 309.326 -0.492 20 0 DBADRM O=C(NC[C@H]1CC2(CO1)CCOCC2)c1n[nH]c(=O)[n-]c1=O ZINC001362793364 981891211 /nfs/dbraw/zinc/89/12/11/981891211.db2.gz YRIUSGMNFYFRBC-MRVPVSSYSA-N -1 0 310.310 -0.402 20 0 DBADRM O=C(c1cc2n(n1)CCC[C@@H]2O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001362805191 981898596 /nfs/dbraw/zinc/89/85/96/981898596.db2.gz GHMSEFRGRDQUGM-KWQFWETISA-N -1 0 303.326 -0.147 20 0 DBADRM O=C(c1cnc2n1CCOC2)N1CCC(c2nnn[n-]2)CC1 ZINC001362804381 981898698 /nfs/dbraw/zinc/89/86/98/981898698.db2.gz WLKVOHYGLLUDDV-UHFFFAOYSA-N -1 0 303.326 -0.054 20 0 DBADRM Cc1nc2c(n1CCO)CC[C@H](NC(=O)CCc1nnn[n-]1)C2 ZINC001362806596 981900273 /nfs/dbraw/zinc/90/02/73/981900273.db2.gz SQTBCEJMPKFBTN-JTQLQIEISA-N -1 0 319.369 -0.697 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CC[C@@H](c3nnn[n-]3)C1)CC2 ZINC001362822175 981916558 /nfs/dbraw/zinc/91/65/58/981916558.db2.gz KVYOZAHTDSKFSC-RKDXNWHRSA-N -1 0 302.342 -0.551 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2CC[C@H](c3nnn[n-]3)C2)cc1 ZINC001362824733 981917568 /nfs/dbraw/zinc/91/75/68/981917568.db2.gz YDGXWTBXFQWROZ-JTQLQIEISA-N -1 0 316.321 -0.307 20 0 DBADRM NC(=O)[C@H](O)CNC(=O)c1cc(Br)c(F)cc1[O-] ZINC001362826072 981919495 /nfs/dbraw/zinc/91/94/95/981919495.db2.gz QQPRRJZUNBDURB-MRVPVSSYSA-N -1 0 321.102 -0.130 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001362830969 981921933 /nfs/dbraw/zinc/92/19/33/981921933.db2.gz AGINCPRUHFIXKO-UHFFFAOYSA-N -1 0 318.355 -0.837 20 0 DBADRM COC(=O)[C@](C)(CO)NC(=O)c1n[n-]c2ccccc2c1=O ZINC001362830254 981922060 /nfs/dbraw/zinc/92/20/60/981922060.db2.gz AVDOJUUNPKAQFY-AWEZNQCLSA-N -1 0 305.290 -0.011 20 0 DBADRM COc1ccc(COCC(=O)N(C)Cc2nc(=O)o[n-]2)cn1 ZINC001362840604 981932684 /nfs/dbraw/zinc/93/26/84/981932684.db2.gz NMLCMBJTTYPKBD-UHFFFAOYSA-N -1 0 308.294 -0.058 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC001362839819 981932998 /nfs/dbraw/zinc/93/29/98/981932998.db2.gz JOLPTKUEBWTFMA-CIUDSAMLSA-N -1 0 312.288 -0.499 20 0 DBADRM CCOC(=O)N1CSC[C@H]1C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001362841354 981933185 /nfs/dbraw/zinc/93/31/85/981933185.db2.gz PLSKHGIWCLLKEB-ZETCQYMHSA-N -1 0 316.339 -0.147 20 0 DBADRM COC(=O)[C@@H](CNC(=O)CCc1nnn[n-]1)Oc1ccccc1 ZINC001362841889 981935378 /nfs/dbraw/zinc/93/53/78/981935378.db2.gz FZKOXBVCCYJOMY-LLVKDONJSA-N -1 0 319.321 -0.131 20 0 DBADRM CC[C@@H]1COCCN1CCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362859933 981952546 /nfs/dbraw/zinc/95/25/46/981952546.db2.gz PPABZBKBFINONH-SECBINFHSA-N -1 0 315.399 -0.171 20 0 DBADRM Cn1nccc1C1(O)CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001362858652 981952649 /nfs/dbraw/zinc/95/26/49/981952649.db2.gz LUNBJWUQZYZYNB-UHFFFAOYSA-N -1 0 305.342 -0.624 20 0 DBADRM O=C(N[C@@H](CCO)C1CCOCC1)c1c[n-]n2c1nccc2=O ZINC001362862081 981954909 /nfs/dbraw/zinc/95/49/09/981954909.db2.gz ZUIYYPCFPYFEEP-LBPRGKRZSA-N -1 0 320.349 -0.070 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCS(=O)(=O)C1CC1 ZINC001362864136 981956166 /nfs/dbraw/zinc/95/61/66/981956166.db2.gz CERRIPYCAQNXRK-UHFFFAOYSA-N -1 0 306.369 -0.704 20 0 DBADRM C[C@@H](C(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC001530727459 1014786830 /nfs/dbraw/zinc/78/68/30/1014786830.db2.gz GTIAUMFICGCBGJ-MRVPVSSYSA-N -1 0 323.353 -0.690 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@@H](N2CCCC2=O)C1 ZINC001362905820 981988156 /nfs/dbraw/zinc/98/81/56/981988156.db2.gz LPWOGWMTLDSUHG-SNVBAGLBSA-N -1 0 323.353 -0.307 20 0 DBADRM O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001362906598 981989019 /nfs/dbraw/zinc/98/90/19/981989019.db2.gz OJDMLBZAWVPGHO-VHSXEESVSA-N -1 0 313.383 -0.585 20 0 DBADRM COC[C@H](NC(=O)[C@@H](C)NC(=O)c1ccccc1)c1nnn[n-]1 ZINC001362911610 981995872 /nfs/dbraw/zinc/99/58/72/981995872.db2.gz UYEMPNDRBSVBBF-KOLCDFICSA-N -1 0 318.337 -0.178 20 0 DBADRM CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362913678 981996602 /nfs/dbraw/zinc/99/66/02/981996602.db2.gz MKYFYQXVMLDRKZ-BDAKNGLRSA-N -1 0 312.326 -0.073 20 0 DBADRM COC[C@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)c1nnn[n-]1 ZINC001362911612 981997318 /nfs/dbraw/zinc/99/73/18/981997318.db2.gz UYEMPNDRBSVBBF-ONGXEEELSA-N -1 0 318.337 -0.178 20 0 DBADRM C[C@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)[C@H]1CO ZINC001362920904 982004067 /nfs/dbraw/zinc/00/40/67/982004067.db2.gz HGGDHXYUBBQSLA-CABZTGNLSA-N -1 0 302.338 -0.082 20 0 DBADRM CN1CC[C@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1=O ZINC001362941887 982015655 /nfs/dbraw/zinc/01/56/55/982015655.db2.gz NQIHEMHQRBWRHP-JTQLQIEISA-N -1 0 315.337 -0.575 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)[C@@H]1CSCC(=O)N1)c1nc(=O)o[n-]1 ZINC001362943316 982017790 /nfs/dbraw/zinc/01/77/90/982017790.db2.gz XRVGWLKTBNNOPR-XPUUQOCRSA-N -1 0 314.367 -0.202 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cccn1CCN1CCOCC1 ZINC001362949114 982024052 /nfs/dbraw/zinc/02/40/52/982024052.db2.gz MLZSHHCGBQQOIJ-UHFFFAOYSA-N -1 0 322.325 -0.793 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362967730 982036696 /nfs/dbraw/zinc/03/66/96/982036696.db2.gz GHRIOKXBNXJJHI-UHFFFAOYSA-N -1 0 311.323 -0.677 20 0 DBADRM CCN(C)C(=O)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362980069 982042712 /nfs/dbraw/zinc/04/27/12/982042712.db2.gz VSHPHLWNVJZVIO-UHFFFAOYSA-N -1 0 319.321 -0.526 20 0 DBADRM COCCN(C[C@H](O)C(F)(F)F)C(=O)CCc1nnn[n-]1 ZINC001362988356 982051051 /nfs/dbraw/zinc/05/10/51/982051051.db2.gz JJWIXRJMBZDLMX-ZETCQYMHSA-N -1 0 311.264 -0.470 20 0 DBADRM C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)[C@H](O)C(F)(F)F ZINC001362998629 982057303 /nfs/dbraw/zinc/05/73/03/982057303.db2.gz ANRLSKJLITZKFN-FSPLSTOPSA-N -1 0 312.248 -0.103 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001363014765 982071722 /nfs/dbraw/zinc/07/17/22/982071722.db2.gz DUWPZCJKBDWUKQ-QMMMGPOBSA-N -1 0 317.305 -0.474 20 0 DBADRM O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363028496 982084020 /nfs/dbraw/zinc/08/40/20/982084020.db2.gz MULGMJAPUOUTCS-SECBINFHSA-N -1 0 320.353 -0.979 20 0 DBADRM Cn1cc(CCC(=O)N2CCC(O)(c3nnn[n-]3)CC2)cn1 ZINC001363027728 982084684 /nfs/dbraw/zinc/08/46/84/982084684.db2.gz KOGHNQYACCRDFS-UHFFFAOYSA-N -1 0 305.342 -0.624 20 0 DBADRM CN(C(=O)c1ccc(F)c(NS(C)(=O)=O)c1)c1nnn[n-]1 ZINC001363045307 982095848 /nfs/dbraw/zinc/09/58/48/982095848.db2.gz CDKKYSNHXDFCDC-UHFFFAOYSA-N -1 0 314.302 -0.013 20 0 DBADRM Cn1[n-]c(C(=O)N2CC3(C2)CC(=O)Nc2nccn23)cc1=O ZINC001363050438 982100825 /nfs/dbraw/zinc/10/08/25/982100825.db2.gz OSIGSLXGGCDHLF-UHFFFAOYSA-N -1 0 302.294 -0.484 20 0 DBADRM Cn1cnc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1=O ZINC001363050474 982101134 /nfs/dbraw/zinc/10/11/34/982101134.db2.gz AXKPYPGABCZDGT-QMMMGPOBSA-N -1 0 304.310 -0.376 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1coc2c1C(=O)NCCC2 ZINC001363053231 982104527 /nfs/dbraw/zinc/10/45/27/982104527.db2.gz KLYVHRAYJJJHHR-UHFFFAOYSA-N -1 0 304.262 -0.398 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H](O)[C@@H](C)O ZINC001363058366 982108780 /nfs/dbraw/zinc/10/87/80/982108780.db2.gz JLSSXJPUDLALLH-BXKDBHETSA-N -1 0 316.379 -0.080 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC[C@@H](O)[C@H](CO)C1 ZINC001363062544 982110897 /nfs/dbraw/zinc/11/08/97/982110897.db2.gz ADNFBSOTVZLOLM-WCBMZHEXSA-N -1 0 320.305 -0.749 20 0 DBADRM C[C@H]1[C@H](CO)CCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001363076403 982119754 /nfs/dbraw/zinc/11/97/54/982119754.db2.gz YNEWYBQZNXLQPI-IUCAKERBSA-N -1 0 314.363 -0.118 20 0 DBADRM CN1CCC2(CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)C1=O ZINC001363076524 982120445 /nfs/dbraw/zinc/12/04/45/982120445.db2.gz ZRDHGFRIZNCRLO-UHFFFAOYSA-N -1 0 307.310 -0.633 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NN3CCOC3=O)cc2=O)n1 ZINC001363086156 982125462 /nfs/dbraw/zinc/12/54/62/982125462.db2.gz RRZGSOCMBBYGGA-UHFFFAOYSA-N -1 0 318.293 -0.331 20 0 DBADRM Cn1cc([C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C(F)(F)F)cn1 ZINC001363101708 982139836 /nfs/dbraw/zinc/13/98/36/982139836.db2.gz CJUAMKFFVTVUSS-ZETCQYMHSA-N -1 0 320.231 -0.157 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001363111127 982144931 /nfs/dbraw/zinc/14/49/31/982144931.db2.gz PJHOSNFCEVDTKA-ZETCQYMHSA-N -1 0 312.355 -0.241 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)c2cnn3c2OCCC3)n[n-]1 ZINC001363113140 982147493 /nfs/dbraw/zinc/14/74/93/982147493.db2.gz UUQUHLMFOOXMAK-UHFFFAOYSA-N -1 0 312.311 -0.561 20 0 DBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC001363114095 982147622 /nfs/dbraw/zinc/14/76/22/982147622.db2.gz UIFMHLOBRXYYEQ-UHFFFAOYSA-N -1 0 317.371 -0.604 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@@]2(CCSC2)C1 ZINC001363112638 982147760 /nfs/dbraw/zinc/14/77/60/982147760.db2.gz XDPAVBPFKFVQCS-NSHDSACASA-N -1 0 300.340 -0.576 20 0 DBADRM O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363117787 982149223 /nfs/dbraw/zinc/14/92/23/982149223.db2.gz YTKYVARRMGNKMY-BDAKNGLRSA-N -1 0 313.339 -0.952 20 0 DBADRM O=C(c1cnc(C2CC2)[nH]c1=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363117145 982150547 /nfs/dbraw/zinc/15/05/47/982150547.db2.gz QZCBQYRTWABWAP-VIFPVBQESA-N -1 0 317.309 -0.214 20 0 DBADRM CC(C)(C)c1nnc2n1CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001363122255 982152791 /nfs/dbraw/zinc/15/27/91/982152791.db2.gz KHKMTCNWJVDGGG-UHFFFAOYSA-N -1 0 321.341 -0.379 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CN1C(=O)COc2ccccc21 ZINC001363136279 982161841 /nfs/dbraw/zinc/16/18/41/982161841.db2.gz MUMITDLMIRTUIQ-UHFFFAOYSA-N -1 0 318.289 -0.253 20 0 DBADRM CN(C(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)c1nnn[n-]1 ZINC001363153209 982182562 /nfs/dbraw/zinc/18/25/62/982182562.db2.gz UQMPCUITYMPAQX-RFZPGFLSSA-N -1 0 313.261 -0.614 20 0 DBADRM COCC[C@H](COC)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363175788 982198833 /nfs/dbraw/zinc/19/88/33/982198833.db2.gz QGJJOVVZFOEKHF-LLVKDONJSA-N -1 0 320.353 -0.144 20 0 DBADRM Cc1cc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001363177774 982199814 /nfs/dbraw/zinc/19/98/14/982199814.db2.gz RTIFRGSJSOYFAA-BDAKNGLRSA-N -1 0 320.305 -0.688 20 0 DBADRM CNC(=O)OC[C@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363180557 982202586 /nfs/dbraw/zinc/20/25/86/982202586.db2.gz MBZNIWWAGBOMDP-MRVPVSSYSA-N -1 0 313.314 -0.574 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2[C@H](CO)CC[C@H]2CO)cc1=O ZINC001363183202 982204626 /nfs/dbraw/zinc/20/46/26/982204626.db2.gz NDTYGELNIWCKDU-STQMWFEESA-N -1 0 311.382 -0.281 20 0 DBADRM CC(C)[C@H](C)C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001530915658 1014816450 /nfs/dbraw/zinc/81/64/50/1014816450.db2.gz DAAWDXWLSOYNHA-QMMMGPOBSA-N -1 0 323.353 -0.237 20 0 DBADRM CNC(=O)C1(NCc2cc(=O)n3[n-]c(N)nc3n2)CCCC1 ZINC001363206949 982224926 /nfs/dbraw/zinc/22/49/26/982224926.db2.gz PHTVFOGEJLLSAW-UHFFFAOYSA-N -1 0 305.342 -0.852 20 0 DBADRM CO[C@@]1(CO)CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001363225627 982236444 /nfs/dbraw/zinc/23/64/44/982236444.db2.gz DBTUYILCVXESJN-ZDUSSCGKSA-N -1 0 314.342 -0.531 20 0 DBADRM CO[C@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@](C)(CO)C1 ZINC001363240190 982250840 /nfs/dbraw/zinc/25/08/40/982250840.db2.gz USYQYWYDKYQHJW-NOZJJQNGSA-N -1 0 314.342 -0.532 20 0 DBADRM CN1C(=O)COc2cccc(NC(=O)Cn3c(=O)[n-][nH]c3=O)c21 ZINC001363242272 982256247 /nfs/dbraw/zinc/25/62/47/982256247.db2.gz AWUVQCGAJLBCFC-UHFFFAOYSA-N -1 0 319.277 -0.317 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCC(CO)(CO)CC1)C(=O)[O-] ZINC001594891253 982289467 /nfs/dbraw/zinc/28/94/67/982289467.db2.gz LEYDPUZZPAYTMT-WCQYABFASA-N -1 0 316.398 -0.331 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCN(C(=O)OC)CC1)C(=O)[O-] ZINC001594892330 982294294 /nfs/dbraw/zinc/29/42/94/982294294.db2.gz ADOYUEOWFXYMDF-PWSUYJOCSA-N -1 0 315.370 -0.014 20 0 DBADRM CNC(=O)c1cccc(C(=O)NC2(c3nnn[n-]3)CCC2)n1 ZINC001363279106 982300823 /nfs/dbraw/zinc/30/08/23/982300823.db2.gz ZLNRGRPSJYXVAT-UHFFFAOYSA-N -1 0 301.310 -0.237 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1C(=O)c2nccnc2C1=O)C(=O)[O-] ZINC001594893252 982302789 /nfs/dbraw/zinc/30/27/89/982302789.db2.gz SXOBYEUYJOYNAN-APPZFPTMSA-N -1 0 320.305 -0.312 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363287346 982310641 /nfs/dbraw/zinc/31/06/41/982310641.db2.gz QFPHJXUHPYTWBY-SMDDNHRTSA-N -1 0 318.337 -0.967 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363304950 982327811 /nfs/dbraw/zinc/32/78/11/982327811.db2.gz DFJYJZZUFIIMQH-JTQLQIEISA-N -1 0 318.337 -0.218 20 0 DBADRM CC(=O)N1C[C@H]2CCN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001489632389 1014827958 /nfs/dbraw/zinc/82/79/58/1014827958.db2.gz MUFXEUBXFJRJDB-GHMZBOCLSA-N -1 0 323.353 -0.451 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363320230 982340532 /nfs/dbraw/zinc/34/05/32/982340532.db2.gz OJHKOCYAOVXGJE-YUMQZZPRSA-N -1 0 313.387 -0.694 20 0 DBADRM COC(=O)c1ccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)cn1 ZINC001363323987 982342530 /nfs/dbraw/zinc/34/25/30/982342530.db2.gz MOJGLTYHLUBMJA-UHFFFAOYSA-N -1 0 304.262 -0.001 20 0 DBADRM CCOC(=O)c1n[nH]nc1[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001363348831 982356076 /nfs/dbraw/zinc/35/60/76/982356076.db2.gz GVWLOKBZNFUOFL-DTWKUNHWSA-N -1 0 321.337 -0.077 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CS(=O)(=O)N(C)C ZINC001363353437 982358251 /nfs/dbraw/zinc/35/82/51/982358251.db2.gz FVQJUGXPTFTSPT-UHFFFAOYSA-N -1 0 304.376 -0.924 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1cnc2n1CCC2 ZINC001363396646 982386508 /nfs/dbraw/zinc/38/65/08/982386508.db2.gz NDLPNXVQBFDXSW-UHFFFAOYSA-N -1 0 313.321 -0.470 20 0 DBADRM Cc1cc(=O)[nH]c(N2CCC[C@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001363396995 982388956 /nfs/dbraw/zinc/38/89/56/982388956.db2.gz BQTRRDWOEWOKAQ-JTQLQIEISA-N -1 0 318.341 -0.738 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001363400051 982390180 /nfs/dbraw/zinc/39/01/80/982390180.db2.gz PNSKZCFBKABSAC-ZETCQYMHSA-N -1 0 310.241 -0.323 20 0 DBADRM Cc1ccn(CC(=O)N2CCOC[C@@H]2c2nnn[n-]2)c(=O)c1 ZINC001363409374 982396978 /nfs/dbraw/zinc/39/69/78/982396978.db2.gz GTINVZKRJDXGBF-SNVBAGLBSA-N -1 0 304.310 -0.730 20 0 DBADRM CN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CS(=O)(=O)C1 ZINC001363416370 982401736 /nfs/dbraw/zinc/40/17/36/982401736.db2.gz XMJJIBRODDZUOV-UHFFFAOYSA-N -1 0 324.318 -0.695 20 0 DBADRM COC[C@@H](NC(=O)[C@H](C)N1CCSCC1)c1nnn[n-]1 ZINC001363419039 982403257 /nfs/dbraw/zinc/40/32/57/982403257.db2.gz USINWAJPYSCQFD-DTWKUNHWSA-N -1 0 300.388 -0.559 20 0 DBADRM COC[C@H](NC(=O)[C@H](C)N1CCSCC1)c1nnn[n-]1 ZINC001363419041 982403630 /nfs/dbraw/zinc/40/36/30/982403630.db2.gz USINWAJPYSCQFD-IUCAKERBSA-N -1 0 300.388 -0.559 20 0 DBADRM COC[C@@H](NC(=O)COc1c(=O)ccoc1C)c1nnn[n-]1 ZINC001363419289 982403823 /nfs/dbraw/zinc/40/38/23/982403823.db2.gz VXHNJOMEWNQLPI-MRVPVSSYSA-N -1 0 309.282 -0.656 20 0 DBADRM COC[C@@H](NC(=O)CCS(=O)(=O)CC(C)C)c1nnn[n-]1 ZINC001363429683 982406792 /nfs/dbraw/zinc/40/67/92/982406792.db2.gz FCPJUHQLLFFUGN-SECBINFHSA-N -1 0 319.387 -0.536 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1nc(C(F)(F)F)no1 ZINC001363434491 982410641 /nfs/dbraw/zinc/41/06/41/982410641.db2.gz QECWCNMMQMEBDW-VKHMYHEASA-N -1 0 322.203 -0.032 20 0 DBADRM COCC(=O)N(C)CC(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001363437900 982413449 /nfs/dbraw/zinc/41/34/49/982413449.db2.gz ZVXHTGNBABSQIO-JTQLQIEISA-N -1 0 310.358 -0.914 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(c2nccs2)CC1 ZINC001363449907 982422903 /nfs/dbraw/zinc/42/29/03/982422903.db2.gz KNWSQQBFVXTDOU-UHFFFAOYSA-N -1 0 310.339 -0.505 20 0 DBADRM CC[C@H](CNC(=O)C=C1CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001531138282 1014839215 /nfs/dbraw/zinc/83/92/15/1014839215.db2.gz BLKQBFLHAXRGIT-SNVBAGLBSA-N -1 0 323.353 -0.189 20 0 DBADRM COC(=O)C(C)(C)n1ccc(NC(=O)CCc2nnn[n-]2)n1 ZINC001363485772 982447558 /nfs/dbraw/zinc/44/75/58/982447558.db2.gz VSKCUNOZHCECRQ-UHFFFAOYSA-N -1 0 307.314 -0.124 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN[C@@H](c2cn[nH]c2)C1 ZINC001363496216 982458601 /nfs/dbraw/zinc/45/86/01/982458601.db2.gz BGMZCLYOBYSBCQ-MRVPVSSYSA-N -1 0 309.355 -0.501 20 0 DBADRM NC(=O)[C@@H](F)C1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001363508046 982470748 /nfs/dbraw/zinc/47/07/48/982470748.db2.gz ZNMSKLYZORTBPS-QMMMGPOBSA-N -1 0 317.346 -0.336 20 0 DBADRM O=C(c1cccn(C2CC2)c1=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363514736 982477104 /nfs/dbraw/zinc/47/71/04/982477104.db2.gz UHAOOUZNPKGTDC-NSHDSACASA-N -1 0 316.321 -0.090 20 0 DBADRM Cn1nccc1COCC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363514805 982477849 /nfs/dbraw/zinc/47/78/49/982477849.db2.gz UZMLOJAPYINALT-JTQLQIEISA-N -1 0 307.314 -0.950 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)[nH]1 ZINC001363513373 982478136 /nfs/dbraw/zinc/47/81/36/982478136.db2.gz QFNWHNKGMPQEPA-SECBINFHSA-N -1 0 306.282 -0.472 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@H](CO)Cc2c[nH]cn2)cc1=O ZINC001363520350 982481142 /nfs/dbraw/zinc/48/11/42/982481142.db2.gz ZQDSCZUWZWEZLB-ZDUSSCGKSA-N -1 0 321.381 -0.182 20 0 DBADRM C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)O2)CO1 ZINC001363538211 982494991 /nfs/dbraw/zinc/49/49/91/982494991.db2.gz ZJNHCETUTBGNFU-RBDZCENOSA-N -1 0 310.310 -0.261 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001363544355 982500733 /nfs/dbraw/zinc/50/07/33/982500733.db2.gz LOUXMOGXYZRYCI-MRVPVSSYSA-N -1 0 304.376 -0.878 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@H](C)NS(C)(=O)=O ZINC001363544358 982500835 /nfs/dbraw/zinc/50/08/35/982500835.db2.gz LOUXMOGXYZRYCI-QMMMGPOBSA-N -1 0 304.376 -0.878 20 0 DBADRM CC(C)(C)OC(=O)C(C)(C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363548955 982503600 /nfs/dbraw/zinc/50/36/00/982503600.db2.gz HJFGICZZZNGRLS-UHFFFAOYSA-N -1 0 300.315 -0.074 20 0 DBADRM CN(C)c1nc2c(s1)CN(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC001363551901 982505217 /nfs/dbraw/zinc/50/52/17/982505217.db2.gz PJAPKQQDRUCMEH-UHFFFAOYSA-N -1 0 324.366 -0.203 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(C(=O)c2c[n-]ncc2=O)C1 ZINC001363561915 982512104 /nfs/dbraw/zinc/51/21/04/982512104.db2.gz WAHZVRUZZXDPLG-MRVPVSSYSA-N -1 0 300.340 -0.807 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001363569733 982514418 /nfs/dbraw/zinc/51/44/18/982514418.db2.gz HZMUIACXZYRXHA-SSDOTTSWSA-N -1 0 306.282 -0.903 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001363580913 982519110 /nfs/dbraw/zinc/51/91/10/982519110.db2.gz HALPEHVQYYGLRA-ZJUUUORDSA-N -1 0 311.342 -0.705 20 0 DBADRM COC[C@@H](NC(=O)CCNC(=O)c1ccco1)c1nnn[n-]1 ZINC001363587327 982523494 /nfs/dbraw/zinc/52/34/94/982523494.db2.gz KZAVQLBDZDIOAK-MRVPVSSYSA-N -1 0 308.298 -0.584 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CCCN(CC(F)F)C1)c1nnn[n-]1 ZINC001363586709 982523866 /nfs/dbraw/zinc/52/38/66/982523866.db2.gz KWJBWBMYNCKAMU-DTWKUNHWSA-N -1 0 318.328 -0.020 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@H](C2OCCO2)C1 ZINC001363593144 982528838 /nfs/dbraw/zinc/52/88/38/982528838.db2.gz JHYPHOAHHBNNOV-VIFPVBQESA-N -1 0 319.321 -0.707 20 0 DBADRM COC[C@@H](NC(=O)CS(=O)(=O)CC(C)C)c1nnn[n-]1 ZINC001363595168 982530461 /nfs/dbraw/zinc/53/04/61/982530461.db2.gz ZKPYPVXOEYZEFY-MRVPVSSYSA-N -1 0 305.360 -0.926 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CC(=O)NC[C@@H]1c1ccccc1 ZINC001363597410 982532182 /nfs/dbraw/zinc/53/21/82/982532182.db2.gz QFASXZFPEPJAMJ-LLVKDONJSA-N -1 0 300.322 -0.168 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1[C@H](CO)CC[C@H]1CO ZINC001363618115 982539279 /nfs/dbraw/zinc/53/92/79/982539279.db2.gz BYVWZTKNZQICBW-RYUDHWBXSA-N -1 0 319.317 -0.012 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CCS1(=O)=O ZINC001363635214 982546822 /nfs/dbraw/zinc/54/68/22/982546822.db2.gz XGKYVMJJNBRSOZ-DTWKUNHWSA-N -1 0 324.362 -0.282 20 0 DBADRM CC[C@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC1 ZINC001531303134 1014852724 /nfs/dbraw/zinc/85/27/24/1014852724.db2.gz CZUVWUJVZSSZRL-SECBINFHSA-N -1 0 323.353 -0.364 20 0 DBADRM COC(=O)[C@](C)(Cn1cccn1)NC(=O)c1c[n-]ncc1=O ZINC001363657139 982556236 /nfs/dbraw/zinc/55/62/36/982556236.db2.gz HNALLSBQQYZWPK-ZDUSSCGKSA-N -1 0 305.294 -0.260 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N2CCC(c3nnn[n-]3)CC2)n1 ZINC001363658169 982556927 /nfs/dbraw/zinc/55/69/27/982556927.db2.gz GIGCGYRNPUQNKQ-UHFFFAOYSA-N -1 0 319.373 -0.110 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001363663761 982559149 /nfs/dbraw/zinc/55/91/49/982559149.db2.gz IXUKCOPTTXSLLR-QMMMGPOBSA-N -1 0 305.356 -0.636 20 0 DBADRM CC(C)OC(=O)c1cc(NC(=O)Cn2ccc(=O)[nH]c2=O)[nH]n1 ZINC001363669890 982564675 /nfs/dbraw/zinc/56/46/75/982564675.db2.gz ALZUPYDNVSTKIK-UHFFFAOYSA-N -1 0 321.293 -0.124 20 0 DBADRM NC(=O)N1CCC[C@H]1C(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001363686894 982573178 /nfs/dbraw/zinc/57/31/78/982573178.db2.gz KNXVBIBGOQLXKG-JTQLQIEISA-N -1 0 321.337 -0.586 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)c2cccn(C3CC3)c2=O)n[n-]1 ZINC001363707816 982580394 /nfs/dbraw/zinc/58/03/94/982580394.db2.gz NQRZVKDMWTZUGY-UHFFFAOYSA-N -1 0 323.334 -0.043 20 0 DBADRM O=C(N1CC[C@H](c2nnn[n-]2)C1)C1(n2cnnn2)CCCCC1 ZINC001363720631 982588025 /nfs/dbraw/zinc/58/80/25/982588025.db2.gz KWTUOHXWCZAGKZ-JTQLQIEISA-N -1 0 317.357 -0.138 20 0 DBADRM COc1cnc([C@H]2CCCN2C(=O)c2n[nH]c(=O)[n-]2)[nH]c1=O ZINC001363731611 982593972 /nfs/dbraw/zinc/59/39/72/982593972.db2.gz DZRBMCZJNAHEKQ-ZCFIWIBFSA-N -1 0 306.282 -0.008 20 0 DBADRM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001363764115 982614359 /nfs/dbraw/zinc/61/43/59/982614359.db2.gz ZQVYRYHIFFYHLX-ZETCQYMHSA-N -1 0 304.324 -0.131 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(F)F ZINC001531337724 1014855488 /nfs/dbraw/zinc/85/54/88/1014855488.db2.gz GARMLLSTXBGULM-RXMQYKEDSA-N -1 0 319.268 -0.437 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOC[C@H]1C[C@@H]1CCCO1 ZINC001363778010 982626910 /nfs/dbraw/zinc/62/69/10/982626910.db2.gz GASVGJMYIJMDDL-ZJUUUORDSA-N -1 0 312.326 -0.514 20 0 DBADRM CCOC(=O)[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001363795555 982640034 /nfs/dbraw/zinc/64/00/34/982640034.db2.gz LFCJMSUBJKPCEV-VIFPVBQESA-N -1 0 312.326 -0.119 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001363812513 982650552 /nfs/dbraw/zinc/65/05/52/982650552.db2.gz QHBHUERTUROMBA-WCBMZHEXSA-N -1 0 317.305 -0.407 20 0 DBADRM O=C(N[C@@H]([C@@H]1CCOC1)C(F)(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001363810671 982650786 /nfs/dbraw/zinc/65/07/86/982650786.db2.gz ITXUAFVUBQOGST-XINAWCOVSA-N -1 0 308.216 -0.020 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001363828937 982662033 /nfs/dbraw/zinc/66/20/33/982662033.db2.gz JNIZLUGJUHELDQ-YVZVNANGSA-N -1 0 310.354 -0.422 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC001363840021 982669079 /nfs/dbraw/zinc/66/90/79/982669079.db2.gz NDTAFNUZIZEPRC-SSDOTTSWSA-N -1 0 309.727 -0.142 20 0 DBADRM COC(=O)C12CC(C1)CN2C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363855948 982677721 /nfs/dbraw/zinc/67/77/21/982677721.db2.gz GUDKDZHRHVFQEG-UHFFFAOYSA-N -1 0 310.310 -0.367 20 0 DBADRM CC[C@H]1CN(S(=O)(=O)c2ncc[n-]2)C[C@H](C)S1(=O)=O ZINC001363882917 982691332 /nfs/dbraw/zinc/69/13/32/982691332.db2.gz UENBWDAUWQKLMR-IUCAKERBSA-N -1 0 307.397 -0.004 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001363894984 982703494 /nfs/dbraw/zinc/70/34/94/982703494.db2.gz OUYDFGSRWUPOFU-PRJMDXOYSA-N -1 0 300.340 -0.478 20 0 DBADRM C[S@](=N)(=O)N1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001363894736 982704899 /nfs/dbraw/zinc/70/48/99/982704899.db2.gz HHUUUAPLFFVIOC-HXUWFJFHSA-N -1 0 301.376 -0.742 20 0 DBADRM CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001363919198 982721332 /nfs/dbraw/zinc/72/13/32/982721332.db2.gz OLPDAJIJFXTCNW-SSDOTTSWSA-N -1 0 304.324 -0.131 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1nnc(C)n1C ZINC001363929152 982726988 /nfs/dbraw/zinc/72/69/88/982726988.db2.gz KJGOHRQPQHGLQS-UHFFFAOYSA-N -1 0 314.323 -0.018 20 0 DBADRM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001363931967 982731817 /nfs/dbraw/zinc/73/18/17/982731817.db2.gz GOICKBLRJIIEKZ-LOWVWBTDSA-N -1 0 321.395 -0.213 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1C(=O)OCC1(C)C ZINC001363947958 982740985 /nfs/dbraw/zinc/74/09/85/982740985.db2.gz ZUCOGINHAJPGGA-LWESTGQBSA-N -1 0 313.401 -0.653 20 0 DBADRM Cn1nccc1CN1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001363954836 982744364 /nfs/dbraw/zinc/74/43/64/982744364.db2.gz JHHPSNJANVAKER-UHFFFAOYSA-N -1 0 318.385 -0.400 20 0 DBADRM NS(=O)(=O)C[C@H]1CC[C@@H](NC(=O)c2c[n-]ncc2=O)C1 ZINC001363965429 982751722 /nfs/dbraw/zinc/75/17/22/982751722.db2.gz UCVGXVXBQJLWIL-JGVFFNPUSA-N -1 0 300.340 -0.631 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNS(=O)(=O)c1ncc[n-]1 ZINC001363967540 982754978 /nfs/dbraw/zinc/75/49/78/982754978.db2.gz HGXVOSMIEKJUME-IUCAKERBSA-N -1 0 322.412 -0.594 20 0 DBADRM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)c1ncc[n-]1 ZINC001363971994 982757098 /nfs/dbraw/zinc/75/70/98/982757098.db2.gz KYZCKVLHMSPRNM-SECBINFHSA-N -1 0 305.356 -0.003 20 0 DBADRM O=c1nc(CCNS(=O)(=O)C[C@H]2CC[C@@H](C3CC3)O2)[n-]o1 ZINC001363976578 982760943 /nfs/dbraw/zinc/76/09/43/982760943.db2.gz BVIVLFVVSRGNTL-ZJUUUORDSA-N -1 0 317.367 -0.218 20 0 DBADRM CC[C@H]1CN(S(=O)(=O)c2cc(C(=O)OC)[nH]n2)C[C@H]1O ZINC001363984026 982766354 /nfs/dbraw/zinc/76/63/54/982766354.db2.gz SUGBHXUAUHXKHK-IONNQARKSA-N -1 0 303.340 -0.412 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H]1CCNC1=O ZINC001364002708 982778281 /nfs/dbraw/zinc/77/82/81/982778281.db2.gz OJJQEESUDMJURA-ZETCQYMHSA-N -1 0 316.339 -0.938 20 0 DBADRM COC(=O)[C@@]1(C)C[C@H](OC)CN1S(=O)(=O)c1ncc[n-]1 ZINC001364022333 982790705 /nfs/dbraw/zinc/79/07/05/982790705.db2.gz HDJOAVVWSVDXQN-GZMMTYOYSA-N -1 0 303.340 -0.249 20 0 DBADRM Cc1noc([C@@H]2OCC[C@@H]2[N-]S(=O)(=O)N=S(C)(C)=O)n1 ZINC001364027537 982795003 /nfs/dbraw/zinc/79/50/03/982795003.db2.gz VAPBQZGGXLQTKR-JGVFFNPUSA-N -1 0 324.384 -0.230 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC001364043260 982804471 /nfs/dbraw/zinc/80/44/71/982804471.db2.gz OBVIJHMIIVSVAS-KKOKHZNYSA-N -1 0 321.395 -0.213 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H]1COC[C@@H]1C ZINC001364043507 982805669 /nfs/dbraw/zinc/80/56/69/982805669.db2.gz CGMXKVYMCBPACY-POYBYMJQSA-N -1 0 303.340 -0.182 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1 ZINC001364045845 982806459 /nfs/dbraw/zinc/80/64/59/982806459.db2.gz FBOYJBAUEIJNMG-NKWVEPMBSA-N -1 0 316.339 -0.264 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[nH]2)C1 ZINC001364053015 982810165 /nfs/dbraw/zinc/81/01/65/982810165.db2.gz APKMTLSPDDCBCC-SECBINFHSA-N -1 0 303.326 -0.074 20 0 DBADRM CCOC(=O)c1n[nH]c(CNC(=O)[C@H](OC)[C@@H]2CCOC2)n1 ZINC001364083028 982821237 /nfs/dbraw/zinc/82/12/37/982821237.db2.gz JXZXJWIWXIWSLL-PSASIEDQSA-N -1 0 312.326 -0.351 20 0 DBADRM CCOC(=O)NCC(=O)N[C@@H](CCSC)c1nnn[n-]1 ZINC001364088497 982824221 /nfs/dbraw/zinc/82/42/21/982824221.db2.gz PHSBGLKWLYNPSA-ZETCQYMHSA-N -1 0 302.360 -0.144 20 0 DBADRM COC(=O)C1([N-]S(=O)(=O)Cc2noc(C)n2)CC(CO)C1 ZINC001364187520 982849602 /nfs/dbraw/zinc/84/96/02/982849602.db2.gz VAHMDVBOKFNZOJ-UHFFFAOYSA-N -1 0 319.339 -0.888 20 0 DBADRM O=C(Cn1nnc2c1CCCC2)NCc1nc([O-])cc(=O)[nH]1 ZINC001364208974 982856550 /nfs/dbraw/zinc/85/65/50/982856550.db2.gz XGSLDXRTNUCOLH-UHFFFAOYSA-N -1 0 304.310 -0.326 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1n[nH]cc1Br ZINC001364247983 982870101 /nfs/dbraw/zinc/87/01/01/982870101.db2.gz NVYXBZOBVBCZTH-UHFFFAOYSA-N -1 0 300.072 -0.182 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)N2CCN(CC(=O)[O-])CC2)CO1 ZINC000926582493 982910729 /nfs/dbraw/zinc/91/07/29/982910729.db2.gz JAVWZFMARHRGMB-JTQLQIEISA-N -1 0 306.384 -0.414 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](C)C(=O)Nc1cccnc1C ZINC001364368827 982942112 /nfs/dbraw/zinc/94/21/12/982942112.db2.gz PDXPCSGEXINCRC-VIFPVBQESA-N -1 0 318.341 -0.033 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1 ZINC001364368628 982942470 /nfs/dbraw/zinc/94/24/70/982942470.db2.gz NEFLYJHAPLTPHH-VIFPVBQESA-N -1 0 305.346 -0.751 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC[S@](=O)CC(F)(F)F ZINC001364366688 982942510 /nfs/dbraw/zinc/94/25/10/982942510.db2.gz BJRWGEIYCBWYQC-FQEVSTJZSA-N -1 0 314.293 -0.453 20 0 DBADRM NC(=O)[C@]12CCC[C@H]1CN(C(=O)CSc1n[nH]c(=O)[n-]1)C2 ZINC001364369141 982943625 /nfs/dbraw/zinc/94/36/25/982943625.db2.gz WUZDAISYVMVYPV-MADCSZMMSA-N -1 0 311.367 -0.284 20 0 DBADRM Nc1nc2nc(CN3CC[C@H](N4CCCC4=O)C3)cc(=O)n2[n-]1 ZINC001364379735 982950466 /nfs/dbraw/zinc/95/04/66/982950466.db2.gz CPZCOPQWNXLMNV-JTQLQIEISA-N -1 0 317.353 -0.804 20 0 DBADRM O=C([C@H]1CCn2cncc2C1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001364382348 982951032 /nfs/dbraw/zinc/95/10/32/982951032.db2.gz CFJIOSGCJNVGIO-GXSJLCMTSA-N -1 0 303.326 -0.441 20 0 DBADRM COCCn1ncc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1C ZINC001364382412 982951286 /nfs/dbraw/zinc/95/12/86/982951286.db2.gz CXPSVAJZNFUDDD-LLVKDONJSA-N -1 0 321.341 -0.435 20 0 DBADRM Nc1nc2nc(CN3CC[C@@H](N4CCCC4=O)C3)cc(=O)n2[n-]1 ZINC001364379736 982951420 /nfs/dbraw/zinc/95/14/20/982951420.db2.gz CPZCOPQWNXLMNV-SNVBAGLBSA-N -1 0 317.353 -0.804 20 0 DBADRM O=C([C@@H]1CCc2nccn2C1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001364382719 982951544 /nfs/dbraw/zinc/95/15/44/982951544.db2.gz HGPIEEONQUNBCQ-ZJUUUORDSA-N -1 0 303.326 -0.441 20 0 DBADRM O=C(COCc1ccncc1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001364382535 982952395 /nfs/dbraw/zinc/95/23/95/982952395.db2.gz GXLGYJIJLSTXIU-LLVKDONJSA-N -1 0 304.310 -0.289 20 0 DBADRM O=C([C@@H]1CCc2ncncc2C1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001364384464 982953442 /nfs/dbraw/zinc/95/34/42/982953442.db2.gz VPZMVPPQHPVNRS-SKDRFNHKSA-N -1 0 315.337 -0.305 20 0 DBADRM COc1cc(=O)[nH]cc1C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001364384449 982954052 /nfs/dbraw/zinc/95/40/52/982954052.db2.gz VPARFTLGMXILHX-QMMMGPOBSA-N -1 0 306.282 -0.477 20 0 DBADRM Nc1nc2nc(CN3CCO[C@@H](C(=O)C4CC4)C3)cc(=O)n2[n-]1 ZINC001364394710 982956821 /nfs/dbraw/zinc/95/68/21/982956821.db2.gz RSWICXFTGHTRST-SNVBAGLBSA-N -1 0 318.337 -0.820 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1C(=O)OC ZINC001364439040 982987753 /nfs/dbraw/zinc/98/77/53/982987753.db2.gz IULKTFFOZTVDMM-YUMQZZPRSA-N -1 0 311.294 -0.542 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001364471926 983012777 /nfs/dbraw/zinc/01/27/77/983012777.db2.gz QYLAUDSVGGMIIO-LBPRGKRZSA-N -1 0 317.353 -0.865 20 0 DBADRM O=C(NC[C@]1(CO)COCCN1)c1ccc2oc(=O)nc-2[n-]1 ZINC001364471307 983012915 /nfs/dbraw/zinc/01/29/15/983012915.db2.gz IFVKPOUJRJWWDM-ZDUSSCGKSA-N -1 0 308.294 -0.991 20 0 DBADRM O=C(NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1n[nH]c(=O)[n-]1 ZINC001364523876 983038103 /nfs/dbraw/zinc/03/81/03/983038103.db2.gz LECHWERMHGXGFH-IEESLHIDSA-N -1 0 300.340 -0.404 20 0 DBADRM O=c1[n-]c(CN2CCOC3(CCS(=O)(=O)CC3)C2)n[nH]1 ZINC001364554601 983051635 /nfs/dbraw/zinc/05/16/35/983051635.db2.gz NARHQCSTWCHKHZ-UHFFFAOYSA-N -1 0 302.356 -0.710 20 0 DBADRM COC(=O)c1ncoc1CCC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001364568016 983054736 /nfs/dbraw/zinc/05/47/36/983054736.db2.gz OTVFRYQKXOIANB-QMMMGPOBSA-N -1 0 320.309 -0.077 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001364569326 983056477 /nfs/dbraw/zinc/05/64/77/983056477.db2.gz TZTSCXBSMNWJER-IUCAKERBSA-N -1 0 316.387 -0.911 20 0 DBADRM COCCN1C[C@@H](C(=O)N(Cc2nnn[n-]2)CC(C)C)CC1=O ZINC001364652051 983085039 /nfs/dbraw/zinc/08/50/39/983085039.db2.gz QSBIGACWEZCUFY-NSHDSACASA-N -1 0 324.385 -0.321 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CN1CCC(CO)CC1 ZINC001364651453 983085427 /nfs/dbraw/zinc/08/54/27/983085427.db2.gz NTBOPAPIMQQQJR-UHFFFAOYSA-N -1 0 310.402 -0.111 20 0 DBADRM O=C(N[C@@H]1CCOC[C@H]1O)c1nc[n-]c(=O)c1Br ZINC001364710000 983102755 /nfs/dbraw/zinc/10/27/55/983102755.db2.gz VLPWMTFWFKFXQD-PHDIDXHHSA-N -1 0 318.127 -0.176 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001364739783 983115295 /nfs/dbraw/zinc/11/52/95/983115295.db2.gz GHDXJORTAQCBFA-NTSWFWBYSA-N -1 0 310.232 -0.085 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)Cc2cnn(C)c2)n[nH]1 ZINC001364750474 983119617 /nfs/dbraw/zinc/11/96/17/983119617.db2.gz NMLGQRHBGLDPRC-UHFFFAOYSA-N -1 0 313.339 -0.250 20 0 DBADRM C[C@@H](O)C[C@H](C)CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001364788677 983135015 /nfs/dbraw/zinc/13/50/15/983135015.db2.gz ZIONHDVPOSAGPP-JGVFFNPUSA-N -1 0 305.356 -0.829 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@@H](c2ncon2)C1 ZINC001364791945 983135585 /nfs/dbraw/zinc/13/55/85/983135585.db2.gz BXLUJQXMYXJAKQ-MRVPVSSYSA-N -1 0 308.298 -0.131 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)OC)C2CC2)n[nH]1 ZINC001364787218 983136592 /nfs/dbraw/zinc/13/65/92/983136592.db2.gz DRTHKHBYIUPCOJ-SECBINFHSA-N -1 0 317.323 -0.574 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)NC1(C(=O)OC)CC1 ZINC001364799295 983140264 /nfs/dbraw/zinc/14/02/64/983140264.db2.gz NNUVEQPIZUQBNN-UHFFFAOYSA-N -1 0 317.323 -0.511 20 0 DBADRM CNC(=O)CN(CC(=O)NC)Cc1nc(=O)c2sccc2[n-]1 ZINC001364806099 983144136 /nfs/dbraw/zinc/14/41/36/983144136.db2.gz RIGHQKBHUYQTBG-UHFFFAOYSA-N -1 0 323.378 -0.309 20 0 DBADRM COC[C@H](NC(=O)Cc1cnn2c1CCCC2)c1nnn[n-]1 ZINC001364812635 983150081 /nfs/dbraw/zinc/15/00/81/983150081.db2.gz FBRRLOVIPJXGSH-JTQLQIEISA-N -1 0 305.342 -0.221 20 0 DBADRM COC[C@@H](NC(=O)C1CCN(CC(F)F)CC1)c1nnn[n-]1 ZINC001364813636 983150662 /nfs/dbraw/zinc/15/06/62/983150662.db2.gz JPUKONVTBHCURA-SECBINFHSA-N -1 0 318.328 -0.020 20 0 DBADRM COC[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)c1nnn[n-]1 ZINC001364815020 983150758 /nfs/dbraw/zinc/15/07/58/983150758.db2.gz OXPYQPYBKMEZOS-LURJTMIESA-N -1 0 319.247 -0.081 20 0 DBADRM O=S(=O)(NCC1(OCCO)CCOCC1)c1ncc[n-]1 ZINC001364827894 983159222 /nfs/dbraw/zinc/15/92/22/983159222.db2.gz RZEPLZMHCNVVAC-UHFFFAOYSA-N -1 0 305.356 -0.754 20 0 DBADRM C[C@H]1COCC[C@H]1NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001364846150 983168048 /nfs/dbraw/zinc/16/80/48/983168048.db2.gz ZFKGNPYTFUZHNI-JGVFFNPUSA-N -1 0 303.340 -0.811 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H]1C(=O)NCC[C@@H]1C ZINC001364853114 983170823 /nfs/dbraw/zinc/17/08/23/983170823.db2.gz FFBGFHPIZWZTIK-CBAPKCEASA-N -1 0 316.335 -0.131 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ncc[n-]1 ZINC001364856839 983172328 /nfs/dbraw/zinc/17/23/28/983172328.db2.gz BPIMTFSYYIJUJF-YUMQZZPRSA-N -1 0 318.355 -0.856 20 0 DBADRM C[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)NCCF ZINC001364856359 983172689 /nfs/dbraw/zinc/17/26/89/983172689.db2.gz YZNLWEFYWCJWMY-MRVPVSSYSA-N -1 0 315.392 -0.443 20 0 DBADRM C[C@@H]1C[C@]2(CC[C@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)O2)CO1 ZINC001364878373 983182562 /nfs/dbraw/zinc/18/25/62/983182562.db2.gz OAYQDYJWJNJYOM-JRKPZEMJSA-N -1 0 312.326 -0.468 20 0 DBADRM CC(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001364882235 983184162 /nfs/dbraw/zinc/18/41/62/983184162.db2.gz MSUMTCNUWMBZFU-SECBINFHSA-N -1 0 311.429 -0.004 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H]1C(=O)NCC1(C)C ZINC001364912999 983195751 /nfs/dbraw/zinc/19/57/51/983195751.db2.gz IJQULDHBIUQKNO-QMMMGPOBSA-N -1 0 316.335 -0.131 20 0 DBADRM Cn1cnnc1[C@H](CO)NS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001364916267 983197732 /nfs/dbraw/zinc/19/77/32/983197732.db2.gz RLEGYGLIGUTUGX-JTQLQIEISA-N -1 0 316.314 -0.328 20 0 DBADRM O=C(CC[C@@H]1CCOC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001364935630 983205185 /nfs/dbraw/zinc/20/51/85/983205185.db2.gz IJKIBLBQHTVWNE-LLVKDONJSA-N -1 0 309.370 -0.029 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)n1 ZINC001364952169 983211238 /nfs/dbraw/zinc/21/12/38/983211238.db2.gz QOOYPJSLXTVAAC-UHFFFAOYSA-N -1 0 311.249 -0.237 20 0 DBADRM COC(=O)C1(CS(=O)(=O)[N-]c2nnn(C(C)C)n2)CC1 ZINC001364963720 983215391 /nfs/dbraw/zinc/21/53/91/983215391.db2.gz RASLFLVBSYMFGH-UHFFFAOYSA-N -1 0 303.344 -0.051 20 0 DBADRM Cc1noc(C2(NS(=O)(=O)[C@@H](C)C(=O)N(C)C)CC2)n1 ZINC001364979134 983219946 /nfs/dbraw/zinc/21/99/46/983219946.db2.gz XHMLRMYDFWFVEF-ZETCQYMHSA-N -1 0 302.356 -0.237 20 0 DBADRM Cc1cc(C(=O)N[C@]2(C)CCNC2=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001364984288 983221532 /nfs/dbraw/zinc/22/15/32/983221532.db2.gz FIIORWCODBXXIE-CQSZACIVSA-N -1 0 317.305 -0.247 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC1(c2ncon2)CC1 ZINC001365019637 983231565 /nfs/dbraw/zinc/23/15/65/983231565.db2.gz PXLDJISWRGXVLS-UHFFFAOYSA-N -1 0 301.266 -0.740 20 0 DBADRM Cn1[n-]c(C(=O)N2CCO[C@H](CS(C)(=O)=O)C2)cc1=O ZINC001365042735 983238424 /nfs/dbraw/zinc/23/84/24/983238424.db2.gz NDFHCNLCZGURMI-QMMMGPOBSA-N -1 0 303.340 -0.989 20 0 DBADRM CC1(C)C[C@@H](NC(=O)CCc2nnn[n-]2)CCS1(=O)=O ZINC001365052870 983242457 /nfs/dbraw/zinc/24/24/57/983242457.db2.gz DKRUBQPFUFTBLB-QMMMGPOBSA-N -1 0 301.372 -0.396 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC(CNC(=O)C(F)(F)F)C1 ZINC001365055873 983244635 /nfs/dbraw/zinc/24/46/35/983244635.db2.gz DYVGINWFTRELHH-UHFFFAOYSA-N -1 0 321.263 -0.743 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1ccc(C(=O)NC)cc1 ZINC001365055383 983244653 /nfs/dbraw/zinc/24/46/53/983244653.db2.gz KQRWIRDNLBJEEG-UHFFFAOYSA-N -1 0 303.326 -0.204 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCO[C@H](c2nccn2C)C1 ZINC001365055946 983244669 /nfs/dbraw/zinc/24/46/69/983244669.db2.gz GEIFTQACIWQUJD-UWVGGRQHSA-N -1 0 320.357 -0.110 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC(C)(C)C1(O)CCOCC1 ZINC001365055766 983244943 /nfs/dbraw/zinc/24/49/43/983244943.db2.gz BQQROHRNLVGBBI-UHFFFAOYSA-N -1 0 312.374 -0.196 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001365140773 983271940 /nfs/dbraw/zinc/27/19/40/983271940.db2.gz NYBVVLHJEJKSAR-QMMMGPOBSA-N -1 0 304.314 -0.977 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1cc(=O)[nH]c(SC)n1 ZINC001365202786 983296476 /nfs/dbraw/zinc/29/64/76/983296476.db2.gz QUOYLGLNABQJLE-UHFFFAOYSA-N -1 0 310.343 -0.346 20 0 DBADRM CN1C[C@@H](NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001365287967 983324655 /nfs/dbraw/zinc/32/46/55/983324655.db2.gz XURNBBDRZVMRBG-BDAKNGLRSA-N -1 0 308.342 -0.370 20 0 DBADRM C[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ncnn1C ZINC001365399675 983365730 /nfs/dbraw/zinc/36/57/30/983365730.db2.gz IJWYLQQESXNJOU-QMMMGPOBSA-N -1 0 307.401 -0.028 20 0 DBADRM CCCN(CC(N)=O)S(=O)(=O)c1cc(C(=O)OC)[nH]n1 ZINC001365407293 983368784 /nfs/dbraw/zinc/36/87/84/983368784.db2.gz AONPYZRTYHAMBV-UHFFFAOYSA-N -1 0 304.328 -0.918 20 0 DBADRM CC(C)(C[N-]S(=O)(=O)N=S1(=O)CCCC1)OCCO ZINC001365413467 983371417 /nfs/dbraw/zinc/37/14/17/983371417.db2.gz OGRODGAPEWYHLL-UHFFFAOYSA-N -1 0 314.429 -0.130 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1ccc(C)nn1)C(=O)OC ZINC001365414907 983372180 /nfs/dbraw/zinc/37/21/80/983372180.db2.gz VMAJJYABSJWXPV-VIFPVBQESA-N -1 0 303.340 -0.359 20 0 DBADRM COC[C@]1(C(=O)OC)CCCN1S(=O)(=O)c1ncc[n-]1 ZINC001365434524 983384301 /nfs/dbraw/zinc/38/43/01/983384301.db2.gz GXGFDYFYWARALD-NSHDSACASA-N -1 0 303.340 -0.248 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCC2(CCC2)O1)[C@@H](C)O ZINC001365458979 983395519 /nfs/dbraw/zinc/39/55/19/983395519.db2.gz LZUADYGQWDCDDS-VWYCJHECSA-N -1 0 321.395 -0.070 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[C@@H](NS(=O)(=O)c3ncc[n-]3)C2)n1 ZINC001365459836 983396761 /nfs/dbraw/zinc/39/67/61/983396761.db2.gz DKYDIFSFOISESK-SECBINFHSA-N -1 0 324.366 -0.229 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](CO)Cc1ccc(O)cc1 ZINC001365501812 983404011 /nfs/dbraw/zinc/40/40/11/983404011.db2.gz YUPPWAVFMKCETF-JTQLQIEISA-N -1 0 306.326 -0.454 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(N2CCOC2=O)CC1 ZINC001365500154 983404018 /nfs/dbraw/zinc/40/40/18/983404018.db2.gz HVXAEMVCQWLUMO-UHFFFAOYSA-N -1 0 309.330 -0.437 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(N2CCNC2=O)CC1 ZINC001365502967 983404576 /nfs/dbraw/zinc/40/45/76/983404576.db2.gz HKBUVQQPLRQAJF-UHFFFAOYSA-N -1 0 308.346 -0.864 20 0 DBADRM C[C@@H](NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)C(=O)N(C)C ZINC001365564108 983419576 /nfs/dbraw/zinc/41/95/76/983419576.db2.gz JTCBHHMAWCBNJS-BDAKNGLRSA-N -1 0 310.358 -0.124 20 0 DBADRM C[C@@H](NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)C(=O)N(C)C ZINC001365564114 983420752 /nfs/dbraw/zinc/42/07/52/983420752.db2.gz JTCBHHMAWCBNJS-RKDXNWHRSA-N -1 0 310.358 -0.124 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365589111 983433964 /nfs/dbraw/zinc/43/39/64/983433964.db2.gz FMGLEBGLUOHFOO-DTWKUNHWSA-N -1 0 310.358 -0.076 20 0 DBADRM Cn1ncc(CNC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC001365592489 983434859 /nfs/dbraw/zinc/43/48/59/983434859.db2.gz KICNXSAPWDRGKD-MRVPVSSYSA-N -1 0 306.330 -0.272 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(CCN3CCNC3=O)CC2)c1[O-] ZINC001365622994 983443741 /nfs/dbraw/zinc/44/37/41/983443741.db2.gz HNKNAWWTZHRGFJ-UHFFFAOYSA-N -1 0 322.369 -0.793 20 0 DBADRM CCCn1ncc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1C ZINC001596120850 983456821 /nfs/dbraw/zinc/45/68/21/983456821.db2.gz HSDUQLQKMDLOHA-LLVKDONJSA-N -1 0 308.338 -0.031 20 0 DBADRM CCCn1nnnc1CN1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001596126115 983464605 /nfs/dbraw/zinc/46/46/05/983464605.db2.gz WMZPXALDKKHHSM-QWRGUYRKSA-N -1 0 322.369 -0.554 20 0 DBADRM CCCn1nnnc1CN1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001596126114 983464668 /nfs/dbraw/zinc/46/46/68/983464668.db2.gz WMZPXALDKKHHSM-MNOVXSKESA-N -1 0 322.369 -0.554 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@H](O)COc1ccccc1 ZINC001365667152 983471163 /nfs/dbraw/zinc/47/11/63/983471163.db2.gz PXNWXGKNGXRHMV-JTQLQIEISA-N -1 0 322.408 -0.012 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC(=O)N(C)C[C@@H]2C)n[nH]1 ZINC001365701752 983488030 /nfs/dbraw/zinc/48/80/30/983488030.db2.gz YMRMJJQNQHNETF-ZETCQYMHSA-N -1 0 316.339 -0.953 20 0 DBADRM O=c1nc(CCNS(=O)(=O)CC[C@H]2CCCCO2)[n-]o1 ZINC001365703700 983490512 /nfs/dbraw/zinc/49/05/12/983490512.db2.gz LPOPYKPLKZLJGX-SECBINFHSA-N -1 0 305.356 -0.216 20 0 DBADRM CCN(C(=O)CCc1ocnc1C(=O)[O-])[C@H]1CC(=O)NC1=O ZINC001596139841 983491541 /nfs/dbraw/zinc/49/15/41/983491541.db2.gz KKKYWOSEMBMAMN-ZETCQYMHSA-N -1 0 309.278 -0.431 20 0 DBADRM CCNC(=O)C(C)(C)NS(=O)(=O)c1cc(C(=O)OC)[nH]n1 ZINC001365711971 983494301 /nfs/dbraw/zinc/49/43/01/983494301.db2.gz LSHSNZDPTJVRSI-UHFFFAOYSA-N -1 0 318.355 -0.611 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)N2CC[C@@H](O)[C@H](CO)C2)c1 ZINC001365715205 983497040 /nfs/dbraw/zinc/49/70/40/983497040.db2.gz MDTDKKKTFGQSIW-GXSJLCMTSA-N -1 0 317.363 -0.235 20 0 DBADRM CCN(C(=O)Cn1cnc(C(=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 ZINC001596148036 983503868 /nfs/dbraw/zinc/50/38/68/983503868.db2.gz NTCAJKUVVJLYLF-QMMMGPOBSA-N -1 0 316.339 -0.988 20 0 DBADRM CCN(C(=O)Cn1cnc(C(=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1 ZINC001596148033 983504058 /nfs/dbraw/zinc/50/40/58/983504058.db2.gz NTCAJKUVVJLYLF-MRVPVSSYSA-N -1 0 316.339 -0.988 20 0 DBADRM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1nnn(C)n1 ZINC001365734356 983508584 /nfs/dbraw/zinc/50/85/84/983508584.db2.gz ZBZOMJFGIXFCNQ-UHFFFAOYSA-N -1 0 315.286 -0.063 20 0 DBADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(N)=O ZINC001365735495 983512099 /nfs/dbraw/zinc/51/20/99/983512099.db2.gz BQKSKUWGXGUONA-IUCAKERBSA-N -1 0 311.429 -0.017 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC001365821494 983541877 /nfs/dbraw/zinc/54/18/77/983541877.db2.gz JTDAYEKERALPET-NSHDSACASA-N -1 0 321.385 -0.115 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1Cc2ccccc2NC1=O ZINC001365820484 983542185 /nfs/dbraw/zinc/54/21/85/983542185.db2.gz GJJOHGRCHKKWRQ-JTQLQIEISA-N -1 0 301.310 -0.200 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC(=O)NCCc1ccccc1 ZINC001365825008 983544140 /nfs/dbraw/zinc/54/41/40/983544140.db2.gz YESVXVMZGYJRNK-UHFFFAOYSA-N -1 0 317.353 -0.405 20 0 DBADRM COCC(=O)N(C)CCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001532865959 1014955744 /nfs/dbraw/zinc/95/57/44/1014955744.db2.gz IIHUBUQVMNTNKL-UHFFFAOYSA-N -1 0 321.337 -0.801 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001365892808 983582859 /nfs/dbraw/zinc/58/28/59/983582859.db2.gz NZKYNOKGGKKJFZ-AEJSXWLSSA-N -1 0 324.385 -0.496 20 0 DBADRM CO[C@H](C)C(=O)N[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001365974051 983627627 /nfs/dbraw/zinc/62/76/27/983627627.db2.gz ONYOGQQNYRVDFB-MNOVXSKESA-N -1 0 319.365 -0.252 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001365974052 983628833 /nfs/dbraw/zinc/62/88/33/983628833.db2.gz ONYOGQQNYRVDFB-QWRGUYRKSA-N -1 0 319.365 -0.252 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](NCc2nncn2C)C2CC2)c1[O-] ZINC001366035553 983665274 /nfs/dbraw/zinc/66/52/74/983665274.db2.gz QDYRZRASRJARML-SNVBAGLBSA-N -1 0 319.369 -0.150 20 0 DBADRM Cc1cnc(COCC(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)o1 ZINC001366543136 983854537 /nfs/dbraw/zinc/85/45/37/983854537.db2.gz AYXYUTDUDKZOQR-UHFFFAOYSA-N -1 0 324.341 -0.428 20 0 DBADRM CCN(CCNC(=O)c1cnn(CC)c1)Cc1n[nH]c(=O)[n-]1 ZINC001366602986 983875061 /nfs/dbraw/zinc/87/50/61/983875061.db2.gz LRINWHXQBPEXJX-UHFFFAOYSA-N -1 0 307.358 -0.021 20 0 DBADRM O=C(Cn1cccn1)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001366655950 983892734 /nfs/dbraw/zinc/89/27/34/983892734.db2.gz LABNCIMBNWWNCS-SNVBAGLBSA-N -1 0 305.342 -0.512 20 0 DBADRM O=C(CCc1nnc[nH]1)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001366659326 983893875 /nfs/dbraw/zinc/89/38/75/983893875.db2.gz QVJNRLPIKISTDP-SECBINFHSA-N -1 0 320.357 -0.658 20 0 DBADRM O=C(Cn1cccn1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366687237 983909915 /nfs/dbraw/zinc/90/99/15/983909915.db2.gz WCBGWIUQDQTRTM-JTQLQIEISA-N -1 0 305.342 -0.655 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001366737613 983957109 /nfs/dbraw/zinc/95/71/09/983957109.db2.gz XQNJWBHUBRZGHU-QMMMGPOBSA-N -1 0 310.358 -0.885 20 0 DBADRM CCCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ccon1 ZINC001366736972 983957473 /nfs/dbraw/zinc/95/74/73/983957473.db2.gz XYUSEXUAFQPTLS-UHFFFAOYSA-N -1 0 324.341 -0.294 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001366737610 983958144 /nfs/dbraw/zinc/95/81/44/983958144.db2.gz XQNJWBHUBRZGHU-MRVPVSSYSA-N -1 0 310.358 -0.885 20 0 DBADRM CCn1nncc1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001366742640 983960540 /nfs/dbraw/zinc/96/05/40/983960540.db2.gz XELJFWNNNZUENO-UHFFFAOYSA-N -1 0 320.357 -0.484 20 0 DBADRM Cc1nnc(CC(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)o1 ZINC001366740211 983960906 /nfs/dbraw/zinc/96/09/06/983960906.db2.gz JQXUHMUAJUSNDX-UHFFFAOYSA-N -1 0 321.341 -0.475 20 0 DBADRM COC[C@H](O)CN1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001366943230 984076696 /nfs/dbraw/zinc/07/66/96/984076696.db2.gz XMGYYHZGZOOGKX-SECBINFHSA-N -1 0 322.321 -0.650 20 0 DBADRM COCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001366994714 984110183 /nfs/dbraw/zinc/11/01/83/984110183.db2.gz YASWZLPBWYFCTR-UWVGGRQHSA-N -1 0 309.370 -0.032 20 0 DBADRM CCc1c[nH]c(CC(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001367805091 984635259 /nfs/dbraw/zinc/63/52/59/984635259.db2.gz PSMPCNBDORLAGW-SECBINFHSA-N -1 0 321.385 -0.025 20 0 DBADRM C[C@H](CN(C)Cc1cscn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001367822778 984655032 /nfs/dbraw/zinc/65/50/32/984655032.db2.gz YKAMWIPOMSYOKA-SSDOTTSWSA-N -1 0 324.366 -0.010 20 0 DBADRM C[C@H](CN(C)C/C=C/Cl)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001367848150 984698189 /nfs/dbraw/zinc/69/81/89/984698189.db2.gz ICZLEUVCZSQOND-MPJRPATESA-N -1 0 303.750 -0.122 20 0 DBADRM Cc1oncc1CN(C)C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001367849009 984707236 /nfs/dbraw/zinc/70/72/36/984707236.db2.gz IOJIUVUBTVBPMW-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM CCCNC(=O)CN1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001367931532 984806059 /nfs/dbraw/zinc/80/60/59/984806059.db2.gz CULHVXAKOXSJIW-JTQLQIEISA-N -1 0 309.370 -0.246 20 0 DBADRM Cc1nocc1CN1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001367972004 984822458 /nfs/dbraw/zinc/82/24/58/984822458.db2.gz JGKPTWIVVAFGKV-SNVBAGLBSA-N -1 0 322.325 -0.624 20 0 DBADRM CCn1cnc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)c1 ZINC001368027143 984847613 /nfs/dbraw/zinc/84/76/13/984847613.db2.gz IHYHMUQSICXDKN-UHFFFAOYSA-N -1 0 305.342 -0.221 20 0 DBADRM C[C@]1(NC(=O)Cn2cccn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368144622 984882595 /nfs/dbraw/zinc/88/25/95/984882595.db2.gz PFGYTIXSDOQJNW-ZDUSSCGKSA-N -1 0 305.342 -0.512 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368162721 984891516 /nfs/dbraw/zinc/89/15/16/984891516.db2.gz MNFXOWFLFFKWIY-OQPBUACISA-N -1 0 310.358 -0.898 20 0 DBADRM CC(C)(F)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368261851 984996132 /nfs/dbraw/zinc/99/61/32/984996132.db2.gz TVXAWBDXKPBOOD-GFCCVEGCSA-N -1 0 301.322 -0.689 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(CC[C@@H]3CCCO3)C2)c1[O-] ZINC001368290910 985048529 /nfs/dbraw/zinc/04/85/29/985048529.db2.gz QHTFTRZGACIXKJ-NSHDSACASA-N -1 0 324.381 -0.231 20 0 DBADRM CC1(C)CCC[C@@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368303425 985065653 /nfs/dbraw/zinc/06/56/53/985065653.db2.gz IIRUDNIPZXNMPL-SNVBAGLBSA-N -1 0 323.397 -0.001 20 0 DBADRM CO[C@H](C)C(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001368592296 985297195 /nfs/dbraw/zinc/29/71/95/985297195.db2.gz WXRMRHTXQPBQMZ-RKDXNWHRSA-N -1 0 311.342 -0.995 20 0 DBADRM CC[C@@H](F)C(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001368616333 985309935 /nfs/dbraw/zinc/30/99/35/985309935.db2.gz SJCDAHMQPWUKHC-RNCFNFMXSA-N -1 0 315.349 -0.299 20 0 DBADRM Cc1cnc(CN[C@H](C)[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001368898817 985552004 /nfs/dbraw/zinc/55/20/04/985552004.db2.gz OQYNAHWPOYYKSN-BDAKNGLRSA-N -1 0 324.341 -0.331 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001368970171 985615109 /nfs/dbraw/zinc/61/51/09/985615109.db2.gz ZZLNOUKSGOUBEF-JYMMUIJESA-N -1 0 321.381 -0.130 20 0 DBADRM Cc1nc(CN(C)[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)co1 ZINC001368966881 985615836 /nfs/dbraw/zinc/61/58/36/985615836.db2.gz HFHMEBYNUUXVCD-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM C[C@@H](CNC(=O)C[C@@H]1CCCC(=O)N1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001368966568 985618276 /nfs/dbraw/zinc/61/82/76/985618276.db2.gz XDRDJZDTUWYYDB-UWVGGRQHSA-N -1 0 324.385 -0.494 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccc1 ZINC001369015061 985656389 /nfs/dbraw/zinc/65/63/89/985656389.db2.gz CEGLOTBTGWCUQT-UHFFFAOYSA-N -1 0 317.349 -0.123 20 0 DBADRM CC(C)CN1CC(CCO)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001369022269 985666580 /nfs/dbraw/zinc/66/65/80/985666580.db2.gz DBRFSQPSCZLAED-UHFFFAOYSA-N -1 0 311.342 -0.895 20 0 DBADRM C[C@H](NC(=O)Cc1cnoc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369092372 985713074 /nfs/dbraw/zinc/71/30/74/985713074.db2.gz QSHJCPOTBMWKED-QMMMGPOBSA-N -1 0 306.326 -0.323 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)N[C@@H](C)c2nnnn2C)c1[O-] ZINC001369239519 985823742 /nfs/dbraw/zinc/82/37/42/985823742.db2.gz JCWWGLOUYHTGPB-APPZFPTMSA-N -1 0 322.373 -0.241 20 0 DBADRM O=C(C[C@@H]1C[C@H]1C1CC1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001369329671 985896077 /nfs/dbraw/zinc/89/60/77/985896077.db2.gz IISLQCXLZVXIAF-AXFHLTTASA-N -1 0 309.370 -0.487 20 0 DBADRM O=C(C[C@@H]1C[C@H]1C1CC1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001369329678 985896641 /nfs/dbraw/zinc/89/66/41/985896641.db2.gz IISLQCXLZVXIAF-DCAQKATOSA-N -1 0 309.370 -0.487 20 0 DBADRM C[C@H](C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C(C)(F)F ZINC001369359498 985963545 /nfs/dbraw/zinc/96/35/45/985963545.db2.gz FVUVOCLGEFUJBA-RQJHMYQMSA-N -1 0 307.301 -0.632 20 0 DBADRM C[C@@H](C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C(C)(F)F ZINC001369359487 985965072 /nfs/dbraw/zinc/96/50/72/985965072.db2.gz FVUVOCLGEFUJBA-NKWVEPMBSA-N -1 0 307.301 -0.632 20 0 DBADRM CCN1CCOC[C@H]1C(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001596444242 1017149375 /nfs/dbraw/zinc/14/93/75/1017149375.db2.gz LJLXRRXHQIIRKC-SMDDNHRTSA-N -1 0 300.355 -0.153 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCNC(=O)C1CCC1 ZINC001491064048 1015211182 /nfs/dbraw/zinc/21/11/82/1015211182.db2.gz TZKVNLUJPFVGBS-UHFFFAOYSA-N -1 0 311.342 -0.498 20 0 DBADRM COCC(=O)N[C@@H]1CCCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001369795332 986367745 /nfs/dbraw/zinc/36/77/45/986367745.db2.gz NTWFPQBSEPUXKT-LLVKDONJSA-N -1 0 319.365 -0.250 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001369823658 986387536 /nfs/dbraw/zinc/38/75/36/986387536.db2.gz HJECVXLGBSZQIL-CPOMMVLXSA-N -1 0 322.365 -0.107 20 0 DBADRM C[C@H](CNC(=O)C1(C)CC1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001369855841 986406547 /nfs/dbraw/zinc/40/65/47/986406547.db2.gz CYCQTPWBQDSSQT-SECBINFHSA-N -1 0 322.365 -0.137 20 0 DBADRM O=C(CO[C@H]1CCOC1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369979891 986525700 /nfs/dbraw/zinc/52/57/00/986525700.db2.gz AHKADZVKJHZCRL-UWVGGRQHSA-N -1 0 311.342 -0.994 20 0 DBADRM Cn1cc(CCC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001370057321 986580788 /nfs/dbraw/zinc/58/07/88/986580788.db2.gz CSENQUMRYMVOJZ-NSHDSACASA-N -1 0 319.369 -0.433 20 0 DBADRM CC(C)CC(=O)N(C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001370429292 986733866 /nfs/dbraw/zinc/73/38/66/986733866.db2.gz DAYUOZCLWANNKC-QMMMGPOBSA-N -1 0 311.342 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)Cn2ccnc2)c1[O-] ZINC001370531585 986791055 /nfs/dbraw/zinc/79/10/55/986791055.db2.gz NJANWHFEIOULBF-SECBINFHSA-N -1 0 320.353 -0.103 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)Cn2ccnc2)c1[O-] ZINC001370531589 986792049 /nfs/dbraw/zinc/79/20/49/986792049.db2.gz NJANWHFEIOULBF-VIFPVBQESA-N -1 0 320.353 -0.103 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)c2cnon2)c1[O-] ZINC001370589908 986812223 /nfs/dbraw/zinc/81/22/23/986812223.db2.gz QPRHMJQIMJQDAX-ZCFIWIBFSA-N -1 0 308.298 -0.303 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@]23C[C@H]2CCC3)c1[O-] ZINC001370681510 986880739 /nfs/dbraw/zinc/88/07/39/986880739.db2.gz ITZNUJOCHGKBPW-IQMDTDKHSA-N -1 0 322.365 -0.179 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001370803508 987022029 /nfs/dbraw/zinc/02/20/29/987022029.db2.gz DVZNSFWWPKLOSZ-OPRDCNLKSA-N -1 0 310.354 -0.323 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CN(C)C(=O)C(F)F)c1[O-] ZINC001371032672 987180125 /nfs/dbraw/zinc/18/01/25/987180125.db2.gz BPOXPIUGXAFVAW-ZETCQYMHSA-N -1 0 320.296 -0.420 20 0 DBADRM O=C([O-])C1(NC(=O)[C@@H]2CCc3nnnn3CC2)CCOCC1 ZINC001594723117 987219169 /nfs/dbraw/zinc/21/91/69/987219169.db2.gz DMKBSUDVHZETOA-SECBINFHSA-N -1 0 309.326 -0.624 20 0 DBADRM CC(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001371711311 987475375 /nfs/dbraw/zinc/47/53/75/987475375.db2.gz IQYSQPKYJZZVDH-DTWKUNHWSA-N -1 0 323.353 -0.047 20 0 DBADRM CCCN1C[C@@H](C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001372135424 987656639 /nfs/dbraw/zinc/65/66/39/987656639.db2.gz YEKNNBGUOPSPRA-JTQLQIEISA-N -1 0 324.385 -0.683 20 0 DBADRM CCNC(=O)CN1CCC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001596462294 1017152883 /nfs/dbraw/zinc/15/28/83/1017152883.db2.gz WMRSTWYLUXKLDV-NWDGAFQWSA-N -1 0 311.382 -0.234 20 0 DBADRM CCN(CCNC(=O)c1cc(C)nn1C)Cc1n[nH]c(=O)[n-]1 ZINC001372288362 987715391 /nfs/dbraw/zinc/71/53/91/987715391.db2.gz BPOIOUIDWPAIMY-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM CCN(CCNC(=O)c1cnn(CC)n1)Cc1n[nH]c(=O)[n-]1 ZINC001372325736 987730542 /nfs/dbraw/zinc/73/05/42/987730542.db2.gz LONIKUPTDXLUGA-UHFFFAOYSA-N -1 0 308.346 -0.626 20 0 DBADRM O=C(NC[C@@H](NC(=O)C(F)F)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001372398828 987753538 /nfs/dbraw/zinc/75/35/38/987753538.db2.gz FCDBWCLOZQABCQ-RXMQYKEDSA-N -1 0 317.252 -0.828 20 0 DBADRM Cc1nnc(CC(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)[nH]1 ZINC001372508423 987787689 /nfs/dbraw/zinc/78/76/89/987787689.db2.gz RVWKYTZBMMMRKQ-SECBINFHSA-N -1 0 320.357 -0.740 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)NCCNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001491303039 1015338437 /nfs/dbraw/zinc/33/84/37/1015338437.db2.gz PAGKMBVGKOGOAL-ZJUUUORDSA-N -1 0 322.365 -0.232 20 0 DBADRM CCCN(CCNC(=O)Cc1nnc(C)o1)Cc1n[nH]c(=O)[n-]1 ZINC001372694982 987847616 /nfs/dbraw/zinc/84/76/16/987847616.db2.gz ZIANKCCBPYLCIT-UHFFFAOYSA-N -1 0 323.357 -0.227 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001372771191 987871373 /nfs/dbraw/zinc/87/13/73/987871373.db2.gz NTGWMBWGJJLPNM-HTRCEHHLSA-N -1 0 311.342 -0.817 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@@H](C)n2cncn2)c1[O-] ZINC001372818939 987895252 /nfs/dbraw/zinc/89/52/52/987895252.db2.gz JDKULQOTNKUBAK-VXNVDRBHSA-N -1 0 321.341 -0.489 20 0 DBADRM C[C@@H](CNC(=O)CCc1cn[nH]n1)NC(=O)c1ncccc1O ZINC001373109107 988097650 /nfs/dbraw/zinc/09/76/50/988097650.db2.gz VRTLRVUSBKZVFZ-VIFPVBQESA-N -1 0 318.337 -0.227 20 0 DBADRM CN(CCNC(=O)C(C)(C)F)C(=O)c1c[n-]n2c1nccc2=O ZINC001373345177 988244847 /nfs/dbraw/zinc/24/48/47/988244847.db2.gz ZVWXNNYSNANYJI-UHFFFAOYSA-N -1 0 323.328 -0.041 20 0 DBADRM Cc1ccnn1CC(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001373401958 988315116 /nfs/dbraw/zinc/31/51/16/988315116.db2.gz SDEUMPQBOBXGIV-UHFFFAOYSA-N -1 0 320.353 -0.183 20 0 DBADRM CC(C)[C@@H](O)C(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001373425907 988342489 /nfs/dbraw/zinc/34/24/89/988342489.db2.gz QDCXYQUZGKHLOM-CQSZACIVSA-N -1 0 319.365 -0.660 20 0 DBADRM CC(C)N(C)C(=O)CN1CC(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001373512198 988415038 /nfs/dbraw/zinc/41/50/38/988415038.db2.gz CUWKQXVNUPWQNV-UHFFFAOYSA-N -1 0 321.381 -0.289 20 0 DBADRM CCCCC(=O)NCCN(CC)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001373761892 988598627 /nfs/dbraw/zinc/59/86/27/988598627.db2.gz VSKRBSQEPBFQNB-UHFFFAOYSA-N -1 0 313.358 -0.156 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)C1CC1 ZINC001374122446 988788219 /nfs/dbraw/zinc/78/82/19/988788219.db2.gz JLFHTNLNFUZQLF-ONGXEEELSA-N -1 0 309.370 -0.127 20 0 DBADRM O=C(NCCN(C(=O)C1CC1)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001374277504 988844661 /nfs/dbraw/zinc/84/46/61/988844661.db2.gz ZSMVCHYNYVGGGR-UHFFFAOYSA-N -1 0 307.310 -0.586 20 0 DBADRM CCn1ncnc1CN1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001374278711 988844939 /nfs/dbraw/zinc/84/49/39/988844939.db2.gz DGCPDJQVSDBJCU-UHFFFAOYSA-N -1 0 319.369 -0.007 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cn1 ZINC001597702337 988926983 /nfs/dbraw/zinc/92/69/83/988926983.db2.gz DFWMJUVGMLONHN-SCZZXKLOSA-N -1 0 322.321 -0.729 20 0 DBADRM CCc1nccn1CCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001597706710 988954029 /nfs/dbraw/zinc/95/40/29/988954029.db2.gz VXIVIVFJNIFSSY-UHFFFAOYSA-N -1 0 313.339 -0.155 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001597723147 989005919 /nfs/dbraw/zinc/00/59/19/989005919.db2.gz TXZZBAPNLYNDGL-DTWKUNHWSA-N -1 0 324.337 -0.785 20 0 DBADRM CCCC(=O)N1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001374697544 989149629 /nfs/dbraw/zinc/14/96/29/989149629.db2.gz MYRILEZRFMSPLF-UHFFFAOYSA-N -1 0 309.326 -0.658 20 0 DBADRM CC(F)(F)CC(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001374756812 989191889 /nfs/dbraw/zinc/19/18/89/989191889.db2.gz KOMJWRLWKSGWFX-UHFFFAOYSA-N -1 0 319.268 -0.938 20 0 DBADRM C[C@@H]1CN(CC(=O)NC(=O)NC2CCCC2)C[C@@H](C(=O)[O-])O1 ZINC001599865078 989234908 /nfs/dbraw/zinc/23/49/08/989234908.db2.gz KDQGKOHETCUJIZ-KOLCDFICSA-N -1 0 313.354 -0.071 20 0 DBADRM C[C@@H]1CN([C@@H]2CCN(C3CCOCC3)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599865228 989237915 /nfs/dbraw/zinc/23/79/15/989237915.db2.gz ZNLJDBLSGWEESP-RTXFEEFZSA-N -1 0 312.366 -0.060 20 0 DBADRM C[C@@H]1CN(CC(=O)N=[S@](C)(=O)N(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599865362 989242155 /nfs/dbraw/zinc/24/21/55/989242155.db2.gz ZPAVCYDCJNGECC-DYCLVXDSSA-N -1 0 307.372 -0.739 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@](C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001536873731 1015471934 /nfs/dbraw/zinc/47/19/34/1015471934.db2.gz FRTHOOVVBLWFGE-DFGFTWQDSA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cnc2n1CCC2 ZINC001375054731 989389693 /nfs/dbraw/zinc/38/96/93/989389693.db2.gz AAGYFWOLFRYMMD-VIFPVBQESA-N -1 0 319.369 -0.097 20 0 DBADRM COc1cc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)nn1C ZINC001375071869 989409136 /nfs/dbraw/zinc/40/91/36/989409136.db2.gz GHBVVZZSVZSORI-MRVPVSSYSA-N -1 0 323.357 -0.497 20 0 DBADRM C[C@]1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(C(=O)C(F)F)C1 ZINC001536876036 1015474312 /nfs/dbraw/zinc/47/43/12/1015474312.db2.gz XFIXYUYWEOABNK-NSHDSACASA-N -1 0 319.268 -0.938 20 0 DBADRM CCn1cnc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)c1 ZINC001375137493 989449298 /nfs/dbraw/zinc/44/92/98/989449298.db2.gz QRWQSIVCBDUGPP-VIFPVBQESA-N -1 0 307.358 -0.023 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@@H]2CCN2CC(N)=O)cc1=O ZINC001375319323 989551121 /nfs/dbraw/zinc/55/11/21/989551121.db2.gz CICKZESXSYWUKX-LBPRGKRZSA-N -1 0 323.397 -0.949 20 0 DBADRM CC(C)(F)C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001491553534 1015486486 /nfs/dbraw/zinc/48/64/86/1015486486.db2.gz IUZQXSYAUINEBF-UHFFFAOYSA-N -1 0 301.278 -0.733 20 0 DBADRM Cc1nnc(CNC2(CNC(=O)c3[nH]nc(C)c3[O-])CC2)[nH]1 ZINC001375409887 989590317 /nfs/dbraw/zinc/59/03/17/989590317.db2.gz MWPSTRCNWJGYSW-UHFFFAOYSA-N -1 0 305.342 -0.098 20 0 DBADRM C[C@@H]1COCC[C@@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001375478554 989619863 /nfs/dbraw/zinc/61/98/63/989619863.db2.gz NBKSQYNYRDHQTE-ZJUUUORDSA-N -1 0 309.370 -0.079 20 0 DBADRM CN(C(=O)COCC(F)F)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375693342 989750768 /nfs/dbraw/zinc/75/07/68/989750768.db2.gz FCTWVMHRWGXQKO-UHFFFAOYSA-N -1 0 305.285 -0.565 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)[C@H]1C[C@@H]1C ZINC001375754829 989789704 /nfs/dbraw/zinc/78/97/04/989789704.db2.gz RHFCPTHMCCZNAL-FXQIFTODSA-N -1 0 309.326 -0.579 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)[C@@H]2COCCO2)c1[O-] ZINC001491602640 1015512269 /nfs/dbraw/zinc/51/22/69/1015512269.db2.gz LIPPIKQHYAGGKG-VIFPVBQESA-N -1 0 312.326 -0.925 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376033437 989849902 /nfs/dbraw/zinc/84/99/02/989849902.db2.gz NJBMGHTXORYXLE-WCBMZHEXSA-N -1 0 310.358 -0.885 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376033435 989849991 /nfs/dbraw/zinc/84/99/91/989849991.db2.gz NJBMGHTXORYXLE-SCZZXKLOSA-N -1 0 310.358 -0.885 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccns1 ZINC001376042430 989854350 /nfs/dbraw/zinc/85/43/50/989854350.db2.gz ZZRUUATWUWYDSZ-GFCCVEGCSA-N -1 0 324.366 -0.666 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001539090936 1015517029 /nfs/dbraw/zinc/51/70/29/1015517029.db2.gz FVBIXCMVRWRHJU-JTQLQIEISA-N -1 0 312.347 -0.259 20 0 DBADRM CCn1cc(-c2nn(C)cc2C(=O)NCC(=O)[N-]OC)cn1 ZINC001539090671 1015517147 /nfs/dbraw/zinc/51/71/47/1015517147.db2.gz CAKHJMZTBWWXFZ-UHFFFAOYSA-N -1 0 306.326 -0.289 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCn1cnc2sccc2c1=O ZINC001539090892 1015517761 /nfs/dbraw/zinc/51/77/61/1015517761.db2.gz DWHAEEILNIZLPQ-UHFFFAOYSA-N -1 0 310.335 -0.358 20 0 DBADRM CCONC(=O)c1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1CCO ZINC001540568179 1015523336 /nfs/dbraw/zinc/52/33/36/1015523336.db2.gz QABQKFFVCHZPRB-UHFFFAOYSA-N -1 0 321.337 -0.211 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376455671 990074486 /nfs/dbraw/zinc/07/44/86/990074486.db2.gz FRUVUEJMIJRHDX-BMIGLBTASA-N -1 0 323.397 -0.001 20 0 DBADRM CC(C)(F)C(=O)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376457754 990077339 /nfs/dbraw/zinc/07/73/39/990077339.db2.gz XIIFUPUTYRZQRC-ZDUSSCGKSA-N -1 0 315.349 -0.299 20 0 DBADRM O=C(C=Cc1ccc2c(c1)NC(=O)CO2)NCc1nnn[n-]1 ZINC001542883042 1015534117 /nfs/dbraw/zinc/53/41/17/1015534117.db2.gz QQGBTXKSFPIVGT-RQOWECAXSA-N -1 0 300.278 -0.140 20 0 DBADRM O=C(c1ccc2n[nH]c(=O)n2c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001542946455 1015534361 /nfs/dbraw/zinc/53/43/61/1015534361.db2.gz UGQHTNCMSGLBPC-MRVPVSSYSA-N -1 0 316.281 -0.838 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cnn(-c2ccccn2)c1 ZINC001544209735 1015543224 /nfs/dbraw/zinc/54/32/24/1015543224.db2.gz LYYJFDNWIUOWHZ-UHFFFAOYSA-N -1 0 301.266 -0.091 20 0 DBADRM CCO[C@@H](C)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001376637566 990239040 /nfs/dbraw/zinc/23/90/40/990239040.db2.gz UJPZCAWTBAINGL-UWVGGRQHSA-N -1 0 313.358 -0.748 20 0 DBADRM CC(C)CN1CCOC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001376675705 990261367 /nfs/dbraw/zinc/26/13/67/990261367.db2.gz OVGZYJJMBOOHQG-SNVBAGLBSA-N -1 0 313.358 -0.838 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2cnccn2)c1[O-] ZINC001376722816 990289068 /nfs/dbraw/zinc/28/90/68/990289068.db2.gz KJHPSODPNFDOAZ-SSDOTTSWSA-N -1 0 304.310 -0.238 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)[C@]2(C)CCNC2=O)c1[O-] ZINC001491669457 1015558377 /nfs/dbraw/zinc/55/83/77/1015558377.db2.gz OVZZPIOKMPZXOR-AWEZNQCLSA-N -1 0 323.353 -0.814 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N[C@H](CO)c1cnn(C)c1 ZINC001547440790 1015558877 /nfs/dbraw/zinc/55/88/77/1015558877.db2.gz UOHOYTQKTLMBSH-MRVPVSSYSA-N -1 0 309.351 -0.024 20 0 DBADRM CC(C)C(=O)NC[C@@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001376959978 990401075 /nfs/dbraw/zinc/40/10/75/990401075.db2.gz FMAKSWQBYZKJBU-SECBINFHSA-N -1 0 305.338 -0.087 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1CC[C@@H]1C(N)=O)Cc1n[nH]c(=O)[n-]1 ZINC001376966836 990403605 /nfs/dbraw/zinc/40/36/05/990403605.db2.gz QZAQHNRMTWXWBE-VHSXEESVSA-N -1 0 324.385 -0.698 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)c1cnco1 ZINC001377178146 990472403 /nfs/dbraw/zinc/47/24/03/990472403.db2.gz JEGIIBFOBOHFOV-SSDOTTSWSA-N -1 0 321.293 -0.978 20 0 DBADRM CC[C@H](C)CC(=O)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001491681950 1015567034 /nfs/dbraw/zinc/56/70/34/1015567034.db2.gz XUXFLGLIYYQAPN-VIFPVBQESA-N -1 0 313.358 -0.252 20 0 DBADRM Cc1cccnc1CN(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001377251364 990503841 /nfs/dbraw/zinc/50/38/41/990503841.db2.gz VWJUYPOSLJECHQ-UHFFFAOYSA-N -1 0 320.353 -0.359 20 0 DBADRM CN(CCNC(=O)CN1CCCCCC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001377261527 990506710 /nfs/dbraw/zinc/50/67/10/990506710.db2.gz IPKRBDXFQTXLSV-UHFFFAOYSA-N -1 0 324.385 -0.539 20 0 DBADRM CCN(CCNC(=O)c1snnc1C)Cc1n[nH]c(=O)[n-]1 ZINC001377289727 990519017 /nfs/dbraw/zinc/51/90/17/990519017.db2.gz WDGDXHJODKRWNK-UHFFFAOYSA-N -1 0 311.371 -0.078 20 0 DBADRM O=C(CCn1cncn1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001377438670 990601190 /nfs/dbraw/zinc/60/11/90/990601190.db2.gz RUUJKZZVLPLPEB-SNVBAGLBSA-N -1 0 320.357 -0.870 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)Cc2ccon2)c1[O-] ZINC001377509725 990634994 /nfs/dbraw/zinc/63/49/94/990634994.db2.gz HMMAIUUBWWEEBB-ZETCQYMHSA-N -1 0 307.310 -0.111 20 0 DBADRM O=C(CN1CCCC1=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001377514865 990636669 /nfs/dbraw/zinc/63/66/69/990636669.db2.gz TZPKIWOLAZXZKF-UHFFFAOYSA-N -1 0 322.369 -0.787 20 0 DBADRM Cc1nnc(CC(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)[nH]1 ZINC001377530574 990641851 /nfs/dbraw/zinc/64/18/51/990641851.db2.gz LSSXXQKUGAOHDT-UHFFFAOYSA-N -1 0 320.357 -0.740 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)c1[O-] ZINC001548531178 1015581816 /nfs/dbraw/zinc/58/18/16/1015581816.db2.gz JHOBBGCELRZVIW-UFBFGSQYSA-N -1 0 318.337 -0.141 20 0 DBADRM CC(C)C(=O)NC[C@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001377794555 990736673 /nfs/dbraw/zinc/73/66/73/990736673.db2.gz ZWZHCLSLVQFVNY-QMMMGPOBSA-N -1 0 311.342 -0.508 20 0 DBADRM CCC(=O)NC[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001377907838 990790707 /nfs/dbraw/zinc/79/07/07/990790707.db2.gz OIAULELSYJTOAY-QMMMGPOBSA-N -1 0 306.326 -0.898 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1ccn(C)n1 ZINC001378086109 990851499 /nfs/dbraw/zinc/85/14/99/990851499.db2.gz SOJZTUBEPUYWPS-MRVPVSSYSA-N -1 0 321.341 -0.733 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378151344 990869970 /nfs/dbraw/zinc/86/99/70/990869970.db2.gz PTJNZZKFYWNZBE-VHSXEESVSA-N -1 0 324.385 -0.542 20 0 DBADRM Cc1nccc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001378220547 990886684 /nfs/dbraw/zinc/88/66/84/990886684.db2.gz KAOCUZRQNBQTPX-MRVPVSSYSA-N -1 0 305.342 -0.141 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001378312325 990926494 /nfs/dbraw/zinc/92/64/94/990926494.db2.gz PIVHAZQLKAYUMP-PSASIEDQSA-N -1 0 323.353 -0.721 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ncccn1 ZINC001378329404 990935272 /nfs/dbraw/zinc/93/52/72/990935272.db2.gz NFVQZAHCMIREBM-VIFPVBQESA-N -1 0 321.341 -0.836 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ncccn1 ZINC001378329401 990936185 /nfs/dbraw/zinc/93/61/85/990936185.db2.gz NFVQZAHCMIREBM-SECBINFHSA-N -1 0 321.341 -0.836 20 0 DBADRM C[C@@H](NC(=O)CCCC(N)=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378597362 991058781 /nfs/dbraw/zinc/05/87/81/991058781.db2.gz VIDJEYNQWXQACE-MRVPVSSYSA-N -1 0 310.358 -0.898 20 0 DBADRM CC[C@@H](OC)C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001378682827 991110564 /nfs/dbraw/zinc/11/05/64/991110564.db2.gz FNXLTJNAAWMQBA-CHWFTXMASA-N -1 0 309.370 -0.271 20 0 DBADRM CCC1(C(=O)NCCCNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001491761013 1015612209 /nfs/dbraw/zinc/61/22/09/1015612209.db2.gz ZZGSESXWAYXNPO-UHFFFAOYSA-N -1 0 311.342 -0.498 20 0 DBADRM COC[C@H](C)CC(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001378725237 991129711 /nfs/dbraw/zinc/12/97/11/991129711.db2.gz FXGLFLYIBGWVOF-KKOKHZNYSA-N -1 0 323.397 -0.023 20 0 DBADRM CN(CCN(C)C(=O)CC1OCCCO1)Cc1n[nH]c(=O)[n-]1 ZINC001379032331 991290619 /nfs/dbraw/zinc/29/06/19/991290619.db2.gz LCUDAPPQNJXZCT-UHFFFAOYSA-N -1 0 313.358 -0.446 20 0 DBADRM Cc1nc(CNC[C@@H](O)CNC(=O)c2[nH]nc(C)c2[O-])oc1C ZINC001379187586 991395660 /nfs/dbraw/zinc/39/56/60/991395660.db2.gz IHKJWDSSKQNNTK-SNVBAGLBSA-N -1 0 323.353 -0.091 20 0 DBADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001379233991 991460534 /nfs/dbraw/zinc/46/05/34/991460534.db2.gz ZLXJEYRVCBMCEE-OPRDCNLKSA-N -1 0 311.386 -0.241 20 0 DBADRM CCOC(=O)[C@@]1(C)CN(Cc2cn(CC(=O)[O-])nn2)CCO1 ZINC001596550664 1017158273 /nfs/dbraw/zinc/15/82/73/1017158273.db2.gz CQEHLYJIHAGHAC-CYBMUJFWSA-N -1 0 312.326 -0.483 20 0 DBADRM CC[C@H](C)C(=O)N(C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001379264802 991496040 /nfs/dbraw/zinc/49/60/40/991496040.db2.gz BHWUYWQXLZGYQL-VIFPVBQESA-N -1 0 322.365 -0.185 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccccc1F ZINC001379349339 991565028 /nfs/dbraw/zinc/56/50/28/991565028.db2.gz KYNIOBNCLQQGTC-MRVPVSSYSA-N -1 0 309.301 -0.470 20 0 DBADRM CCOC(=O)[C@H](C[C@H]1CCCO1)N[C@H](C)C(=O)NCC(=O)[O-] ZINC001596527551 1017158560 /nfs/dbraw/zinc/15/85/60/1017158560.db2.gz JASSBRYJFQFARV-MXWKQRLJSA-N -1 0 316.354 -0.334 20 0 DBADRM CCOC(=O)[C@@]1(C)CN(C(=O)NC[C@H](F)C(=O)[O-])CCO1 ZINC001596550648 1017158596 /nfs/dbraw/zinc/15/85/96/1017158596.db2.gz CNLGANLOTVSHEL-QPUJVOFHSA-N -1 0 306.290 -0.227 20 0 DBADRM Cc1ncc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)s1 ZINC001379372684 991602347 /nfs/dbraw/zinc/60/23/47/991602347.db2.gz WTEMKXJVNFEWTB-SSDOTTSWSA-N -1 0 312.355 -0.844 20 0 DBADRM CN(C(=O)CCCF)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001379423142 991651778 /nfs/dbraw/zinc/65/17/78/991651778.db2.gz MUOLHSGQAFSRNO-UHFFFAOYSA-N -1 0 313.289 -0.685 20 0 DBADRM CC/C=C(\C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001491862458 1015657694 /nfs/dbraw/zinc/65/76/94/1015657694.db2.gz OXRVXWBPLILWLE-VGANXODHSA-N -1 0 321.337 -0.030 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccc(CF)cc1 ZINC001379544693 991786031 /nfs/dbraw/zinc/78/60/31/991786031.db2.gz XAQUIULZQJGGNN-LLVKDONJSA-N -1 0 323.328 -0.140 20 0 DBADRM CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)CC(=O)[O-])CC1 ZINC001596563495 1017159494 /nfs/dbraw/zinc/15/94/94/1017159494.db2.gz SOVZLQDKSMHTJT-UHFFFAOYSA-N -1 0 321.351 -0.570 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001379658404 991838329 /nfs/dbraw/zinc/83/83/29/991838329.db2.gz PRDDQMZKQUHKEV-DTWKUNHWSA-N -1 0 308.346 -0.701 20 0 DBADRM CC1(C(=O)N2CC[C@@](C)(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001379727651 991866629 /nfs/dbraw/zinc/86/66/29/991866629.db2.gz SEUJOTWUSQHVMN-CQSZACIVSA-N -1 0 323.353 -0.403 20 0 DBADRM CC1(C(=O)N2CC[C@](C)(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001379727649 991867905 /nfs/dbraw/zinc/86/79/05/991867905.db2.gz SEUJOTWUSQHVMN-AWEZNQCLSA-N -1 0 323.353 -0.403 20 0 DBADRM O=C([C@H]1COCCN1CC(F)F)N1CC[C@H](c2nnn[n-]2)C1 ZINC001548764099 1015671588 /nfs/dbraw/zinc/67/15/88/1015671588.db2.gz DTSYKHMTKFOAIE-DTWKUNHWSA-N -1 0 316.312 -0.519 20 0 DBADRM C[C@@]1(CNC(=O)C2CC2)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001379899461 992014722 /nfs/dbraw/zinc/01/47/22/992014722.db2.gz HVBHASLPIKGFIM-AWEZNQCLSA-N -1 0 323.353 -0.546 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001379973814 992074993 /nfs/dbraw/zinc/07/49/93/992074993.db2.gz VBVKVMSFCMHXAA-NOOOWODRSA-N -1 0 323.397 -0.193 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@H](COC)C(=O)[O-])C1 ZINC001596574768 1017160125 /nfs/dbraw/zinc/16/01/25/1017160125.db2.gz SGVJHWKUWZEMBG-GHMZBOCLSA-N -1 0 316.354 -0.523 20 0 DBADRM CN(C)C(=O)CCCC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001380027324 992102198 /nfs/dbraw/zinc/10/21/98/992102198.db2.gz QXNHDAYDMGHFHE-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NCc3ncnn3C)CC2)c1[O-] ZINC001380072092 992122607 /nfs/dbraw/zinc/12/26/07/992122607.db2.gz IIYJUYQUVKOGFJ-UHFFFAOYSA-N -1 0 305.342 -0.396 20 0 DBADRM CO[C@@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC001380237581 992208058 /nfs/dbraw/zinc/20/80/58/992208058.db2.gz QCLSANADLAXDHR-GFCCVEGCSA-N -1 0 309.370 -0.032 20 0 DBADRM Cn1nccc1[C@@H]1[C@@H](NC(=O)C(C)(C)C(=O)[O-])CC(=O)N1C ZINC001549040288 1015693457 /nfs/dbraw/zinc/69/34/57/1015693457.db2.gz MYBSJLLLMNOJHU-KWQFWETISA-N -1 0 308.338 -0.081 20 0 DBADRM C[C@]1(NC(=O)CCCC(N)=O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380397869 992298786 /nfs/dbraw/zinc/29/87/86/992298786.db2.gz YBJZFJYJDHLMKN-ZDUSSCGKSA-N -1 0 310.358 -0.754 20 0 DBADRM Cn1ccc(C(=O)NC[C@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001380528278 992362417 /nfs/dbraw/zinc/36/24/17/992362417.db2.gz VNWGQMLUWYQRJL-CQSZACIVSA-N -1 0 320.353 -0.784 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC1(F)F ZINC001380533857 992366405 /nfs/dbraw/zinc/36/64/05/992366405.db2.gz MTBGJXNFKRHUBF-WRWORJQWSA-N -1 0 317.296 -0.782 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380533714 992367125 /nfs/dbraw/zinc/36/71/25/992367125.db2.gz CMAQMUGPXTZSBJ-OTYXRUKQSA-N -1 0 309.370 -0.391 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3cnsn3)C2)c1[O-] ZINC001380587035 992418815 /nfs/dbraw/zinc/41/88/15/992418815.db2.gz NFWVTKHSNVNMMV-UHFFFAOYSA-N -1 0 324.366 -0.748 20 0 DBADRM Cc1sccc1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380596862 992423403 /nfs/dbraw/zinc/42/34/03/992423403.db2.gz PLFHPEIMNQCZDD-UHFFFAOYSA-N -1 0 323.378 -0.143 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC2(CC2)C1 ZINC001380617133 992438492 /nfs/dbraw/zinc/43/84/92/992438492.db2.gz ANWQLJKIZIMMGP-UHFFFAOYSA-N -1 0 307.354 -0.637 20 0 DBADRM CCn1cccc1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380640994 992458936 /nfs/dbraw/zinc/45/89/36/992458936.db2.gz GLXCRBISNKYRCV-UHFFFAOYSA-N -1 0 320.353 -0.692 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2 ZINC001549225751 1015712264 /nfs/dbraw/zinc/71/22/64/1015712264.db2.gz UGVIQLVBJPEDAH-IINYFYTJSA-N -1 0 302.290 -0.098 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)CCC1 ZINC001549229672 1015712494 /nfs/dbraw/zinc/71/24/94/1015712494.db2.gz QCICQZPVVABIRH-SKDRFNHKSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)c1cnn3cccnc13)C2 ZINC001549229702 1015712536 /nfs/dbraw/zinc/71/25/36/1015712536.db2.gz LFJKIVMJRNYCOZ-OTYXRUKQSA-N -1 0 302.290 -0.098 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001549227421 1015712645 /nfs/dbraw/zinc/71/26/45/1015712645.db2.gz CJEDSKXYPZFYBI-XHDPSFHLSA-N -1 0 323.349 -0.025 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549219973 1015713503 /nfs/dbraw/zinc/71/35/03/1015713503.db2.gz HFVIPADIWDBIRJ-ISOBSLSZSA-N -1 0 322.317 -0.043 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(c1ccnc(N3CCOCC3)n1)C2 ZINC001549298547 1015718035 /nfs/dbraw/zinc/71/80/35/1015718035.db2.gz KDJOVPCMCUBMRV-NHYWBVRUSA-N -1 0 320.349 -0.149 20 0 DBADRM Cn1ncc2c1nc(N1C[C@H]3COC[C@@]3(C(=O)[O-])C1)nc2N ZINC001549298571 1015718734 /nfs/dbraw/zinc/71/87/34/1015718734.db2.gz KMAALCVVVRFTLU-CPFSXVBKSA-N -1 0 304.310 -0.517 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549305677 1015722065 /nfs/dbraw/zinc/72/20/65/1015722065.db2.gz KIGUKZQYNGRGSG-JMSVASOKSA-N -1 0 310.350 -0.053 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001549304340 1015719973 /nfs/dbraw/zinc/71/99/73/1015719973.db2.gz AKBFEXFQAWASGG-ZUZCIYMTSA-N -1 0 320.349 -0.205 20 0 DBADRM Cn1ccnc1[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCC(=O)N1C ZINC001549304797 1015720363 /nfs/dbraw/zinc/72/03/63/1015720363.db2.gz HNNQMLZYAOANNQ-WDCWCFNPSA-N -1 0 320.349 -0.081 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])CC1 ZINC001596614837 1017162644 /nfs/dbraw/zinc/16/26/44/1017162644.db2.gz AUQCFBNWPDPQPE-QMMMGPOBSA-N -1 0 309.340 -0.773 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC001549303846 1015720944 /nfs/dbraw/zinc/72/09/44/1015720944.db2.gz RZODLWNXIRGBKM-YKHWKNEFSA-N -1 0 324.337 -0.702 20 0 DBADRM CN(CCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ccon1 ZINC001380981858 992620434 /nfs/dbraw/zinc/62/04/34/992620434.db2.gz MBJNXSNEDVLKGS-UHFFFAOYSA-N -1 0 324.341 -0.342 20 0 DBADRM CC(C)C(=O)N[C@@H](C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001381151603 992687643 /nfs/dbraw/zinc/68/76/43/992687643.db2.gz WSXFJQTWVTUMTA-QMMMGPOBSA-N -1 0 311.342 -0.692 20 0 DBADRM C[C@@H](CNC(=O)c1cnc2n1CCC2)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381540354 992832098 /nfs/dbraw/zinc/83/20/98/992832098.db2.gz YUJVJHLTMNTXLE-VIFPVBQESA-N -1 0 319.369 -0.097 20 0 DBADRM C[C@H](CNC(=O)c1cnc2n1CCC2)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381540348 992833741 /nfs/dbraw/zinc/83/37/41/992833741.db2.gz YUJVJHLTMNTXLE-SECBINFHSA-N -1 0 319.369 -0.097 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001596613915 1017162882 /nfs/dbraw/zinc/16/28/82/1017162882.db2.gz QNRHILSRNAFBAZ-LBPRGKRZSA-N -1 0 323.367 -0.117 20 0 DBADRM CC(C)CC(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001382115755 992994192 /nfs/dbraw/zinc/99/41/92/992994192.db2.gz DTIFVZRZWULGRR-QMMMGPOBSA-N -1 0 311.342 -0.094 20 0 DBADRM CSCC(=O)N[C@@H](C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001382139591 993004167 /nfs/dbraw/zinc/00/41/67/993004167.db2.gz LFJZBPKDFNAGGM-ZETCQYMHSA-N -1 0 317.371 -0.985 20 0 DBADRM CCOC(=O)CN(C)C(=O)COC(=O)c1cc(C(=O)[O-])ccn1 ZINC001596616197 1017163100 /nfs/dbraw/zinc/16/31/00/1017163100.db2.gz SVEXHKBKGMXXMX-UHFFFAOYSA-N -1 0 324.289 -0.042 20 0 DBADRM CC(C)SCC(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001382178849 993020761 /nfs/dbraw/zinc/02/07/61/993020761.db2.gz PNGVBLSHJWMAOB-MRVPVSSYSA-N -1 0 303.388 -0.781 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001596594645 1017163073 /nfs/dbraw/zinc/16/30/73/1017163073.db2.gz LWMUHQKBZDTGFL-IMSIIYSGSA-N -1 0 315.322 -0.750 20 0 DBADRM CCc1ccccc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001382233373 993076466 /nfs/dbraw/zinc/07/64/66/993076466.db2.gz GSYPQMYVZPOQHP-LLVKDONJSA-N -1 0 319.365 -0.047 20 0 DBADRM CC1(C)CC[C@@H](C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)C1 ZINC001382255748 993094947 /nfs/dbraw/zinc/09/49/47/993094947.db2.gz QODFSADKOYWPDB-ZJUUUORDSA-N -1 0 311.386 -0.097 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001596593767 1017163245 /nfs/dbraw/zinc/16/32/45/1017163245.db2.gz AXLHAHQDOGYBHB-IUCAKERBSA-N -1 0 319.310 -0.977 20 0 DBADRM CCO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001382342032 993161469 /nfs/dbraw/zinc/16/14/69/993161469.db2.gz XPJLPTICHXQSBS-BDAKNGLRSA-N -1 0 314.342 -0.944 20 0 DBADRM Cc1cscc1C(=O)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001382377163 993185199 /nfs/dbraw/zinc/18/51/99/993185199.db2.gz GJMVWYBJXDDLJD-MRVPVSSYSA-N -1 0 309.351 -0.305 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)CCC2CC2)c1[O-] ZINC001382393839 993203088 /nfs/dbraw/zinc/20/30/88/993203088.db2.gz NFWFLEGYKPNJLY-JTQLQIEISA-N -1 0 310.354 -0.179 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC2(C)C)c1[O-] ZINC001382393756 993203807 /nfs/dbraw/zinc/20/38/07/993203807.db2.gz MTFOQYAVNZQCIP-IUCAKERBSA-N -1 0 310.354 -0.323 20 0 DBADRM CCOC(=O)CN(C)C(=O)COC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001596615941 1017163502 /nfs/dbraw/zinc/16/35/02/1017163502.db2.gz GXRJFWBGCAJEAX-BDAKNGLRSA-N -1 0 317.294 -0.817 20 0 DBADRM CC[C@@H](OC)C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001382442683 993261615 /nfs/dbraw/zinc/26/16/15/993261615.db2.gz CCOWRRGLHNHMIQ-NXEZZACHSA-N -1 0 315.374 -0.814 20 0 DBADRM CC(=O)N[C@H](CO)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001382451188 993275857 /nfs/dbraw/zinc/27/58/57/993275857.db2.gz MTPDZTRCXZWZTL-ZETCQYMHSA-N -1 0 313.276 -0.943 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@H]1C[C@H](N2CCOCC2)C12CCC2 ZINC001549842602 1015771186 /nfs/dbraw/zinc/77/11/86/1015771186.db2.gz UNPVWBIWATWLRS-RYUDHWBXSA-N -1 0 320.397 -0.108 20 0 DBADRM CC1CC(C(=O)NCCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001492319630 1015775422 /nfs/dbraw/zinc/77/54/22/1015775422.db2.gz NRUZPVDUFLLUDT-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM CC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001382890517 993437178 /nfs/dbraw/zinc/43/71/78/993437178.db2.gz ZCHCAYRTZMEFTQ-QMMMGPOBSA-N -1 0 308.294 -0.503 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)c2cnn(C)n2)c1[O-] ZINC001382957512 993470685 /nfs/dbraw/zinc/47/06/85/993470685.db2.gz IXUMAGRTSWUCBF-ZETCQYMHSA-N -1 0 321.341 -0.557 20 0 DBADRM CCOC(=O)NCCC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001596659618 1017165503 /nfs/dbraw/zinc/16/55/03/1017165503.db2.gz XSGNUDGJIJPANJ-UHFFFAOYSA-N -1 0 303.315 -0.780 20 0 DBADRM CC(C)C(=O)N(C)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001383587180 993682101 /nfs/dbraw/zinc/68/21/01/993682101.db2.gz RNKYGBJJJLALDP-VIFPVBQESA-N -1 0 323.353 -0.094 20 0 DBADRM CC(C)C(=O)N(C)[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001383587179 993682587 /nfs/dbraw/zinc/68/25/87/993682587.db2.gz RNKYGBJJJLALDP-SECBINFHSA-N -1 0 323.353 -0.094 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1C[C@H](C(=O)N2CCOCC2)[C@H](C)C1 ZINC001550342905 1015802192 /nfs/dbraw/zinc/80/21/92/1015802192.db2.gz DXIQGBBAWTWDHY-VWYCJHECSA-N -1 0 314.338 -0.961 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)c1cnc3cccnn31)C2 ZINC001550344211 1015802610 /nfs/dbraw/zinc/80/26/10/1015802610.db2.gz FGBIKDKQNHHRBL-LKFCYVNXSA-N -1 0 302.290 -0.098 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CC1CC1 ZINC001383782131 993744739 /nfs/dbraw/zinc/74/47/39/993744739.db2.gz DPEKGMQRUWACGU-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001383877821 993800358 /nfs/dbraw/zinc/80/03/58/993800358.db2.gz LJQZHPRULVEWTB-IONNQARKSA-N -1 0 314.342 -0.944 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@H](F)C(C)C)c1[O-] ZINC001383985929 993883439 /nfs/dbraw/zinc/88/34/39/993883439.db2.gz HKMOPHZSMMDNFP-RKDXNWHRSA-N -1 0 316.333 -0.375 20 0 DBADRM CN(CCNC(=O)c1ccc2oc(=O)nc-2[n-]1)[C@H]1CCNC1=O ZINC001492817982 1015814845 /nfs/dbraw/zinc/81/48/45/1015814845.db2.gz YBENGWQEAUTUIO-VIFPVBQESA-N -1 0 319.321 -0.522 20 0 DBADRM Cc1cc(CN(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001492830650 1015815730 /nfs/dbraw/zinc/81/57/30/1015815730.db2.gz LUVSZAZGKXNANH-UHFFFAOYSA-N -1 0 310.314 -0.766 20 0 DBADRM CCO[C@H](C(=O)N(CC(=O)[O-])CC(=O)OC)[C@@H]1CCOC1 ZINC001596760348 1017167572 /nfs/dbraw/zinc/16/75/72/1017167572.db2.gz AQLGITLLTKXYFK-SKDRFNHKSA-N -1 0 303.311 -0.486 20 0 DBADRM CC(C)C(=O)NC[C@@H]1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001384175639 993985443 /nfs/dbraw/zinc/98/54/43/993985443.db2.gz IQYSQPKYJZZVDH-RKDXNWHRSA-N -1 0 323.353 -0.047 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@@H]1C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001492900160 1015823887 /nfs/dbraw/zinc/82/38/87/1015823887.db2.gz NAPJPIYRNTVZJI-IUCAKERBSA-N -1 0 323.353 -0.093 20 0 DBADRM CNC(=O)[C@@]12CN(C(=O)c3cc(=O)n(C)[n-]3)C[C@@H]1COCC2 ZINC001551440911 1015825389 /nfs/dbraw/zinc/82/53/89/1015825389.db2.gz HUEKKKZWLXNXLU-OTYXRUKQSA-N -1 0 308.338 -0.650 20 0 DBADRM CN(C[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)CC1CC1 ZINC001384309235 994089377 /nfs/dbraw/zinc/08/93/77/994089377.db2.gz NFYPQZNDNARUNQ-SECBINFHSA-N -1 0 321.337 -0.244 20 0 DBADRM O=C(CC1CC1)NC[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001384436849 994138812 /nfs/dbraw/zinc/13/88/12/994138812.db2.gz CXKJNPAUIUFRAG-DTORHVGOSA-N -1 0 321.337 -0.293 20 0 DBADRM CC(C)C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001384520215 994172325 /nfs/dbraw/zinc/17/23/25/994172325.db2.gz LMSLZAOQRFUZAZ-JGVFFNPUSA-N -1 0 311.342 -0.048 20 0 DBADRM CC(C)C(=O)N[C@H](C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001384520216 994172831 /nfs/dbraw/zinc/17/28/31/994172831.db2.gz LMSLZAOQRFUZAZ-SFYZADRCSA-N -1 0 311.342 -0.048 20 0 DBADRM O=C(NC1(CNC(=O)C2CCCC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001400496422 994187753 /nfs/dbraw/zinc/18/77/53/994187753.db2.gz DFVMWXQIFUFILR-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM Cc1cnn(CCC(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001400569511 994236560 /nfs/dbraw/zinc/23/65/60/994236560.db2.gz HOGDRMFTEWPPNC-UHFFFAOYSA-N -1 0 319.369 -0.346 20 0 DBADRM Cn1cc(CC(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001493083824 1015848183 /nfs/dbraw/zinc/84/81/83/1015848183.db2.gz JYZBLXCREWIFPV-NSHDSACASA-N -1 0 319.369 -0.433 20 0 DBADRM CCn1ccnc1[C@H]1OCC[C@@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC001552228834 1015849681 /nfs/dbraw/zinc/84/96/81/1015849681.db2.gz KINOUWDPIREBRI-YUMQZZPRSA-N -1 0 308.298 -0.246 20 0 DBADRM CCOC(=O)c1cc(CNC(=O)NCCOCC(=O)[O-])on1 ZINC001596707513 1017168321 /nfs/dbraw/zinc/16/83/21/1017168321.db2.gz UGPFCKSXEJVPCC-UHFFFAOYSA-N -1 0 315.282 -0.248 20 0 DBADRM C[C@]1(CNC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)CCC(=O)N1 ZINC001552398901 1015857537 /nfs/dbraw/zinc/85/75/37/1015857537.db2.gz LQQHWVDAXFYJDH-CUOATXAZSA-N -1 0 311.338 -0.602 20 0 DBADRM C[C@]1(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCC(=O)N1 ZINC001552398907 1015857909 /nfs/dbraw/zinc/85/79/09/1015857909.db2.gz LQQHWVDAXFYJDH-FZZIBODNSA-N -1 0 311.338 -0.602 20 0 DBADRM CCN1C[C@H](NC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)CC1=O ZINC001552396789 1015857949 /nfs/dbraw/zinc/85/79/49/1015857949.db2.gz BINVXKOAYHHHLK-RULNRJAQSA-N -1 0 311.338 -0.650 20 0 DBADRM CCOC(=O)[C@H](COC)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001596687892 1017168353 /nfs/dbraw/zinc/16/83/53/1017168353.db2.gz KQOBWDWWLUMMHR-ZETCQYMHSA-N -1 0 321.307 -0.166 20 0 DBADRM Cc1conc1CNC[C@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001401234164 994490427 /nfs/dbraw/zinc/49/04/27/994490427.db2.gz MECPXZNOYFQHQN-QMMMGPOBSA-N -1 0 322.325 -0.170 20 0 DBADRM C[C@@H](CNCc1cscn1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001401235460 994491677 /nfs/dbraw/zinc/49/16/77/994491677.db2.gz PMNFCFSLSZVNJF-ZETCQYMHSA-N -1 0 324.366 -0.010 20 0 DBADRM Cn1cc(CC(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001493187101 1015865210 /nfs/dbraw/zinc/86/52/10/1015865210.db2.gz OMYNAPHAJYMNIC-JTQLQIEISA-N -1 0 319.369 -0.575 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001385486510 994504701 /nfs/dbraw/zinc/50/47/01/994504701.db2.gz ZONYDAHJWWPDOH-JTQLQIEISA-N -1 0 323.353 -0.719 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001385546509 994525746 /nfs/dbraw/zinc/52/57/46/994525746.db2.gz DGDHJXVTNSOQNM-SFYZADRCSA-N -1 0 309.326 -0.340 20 0 DBADRM CN(CCN(C)C(=O)c1cn2c(n1)CCC2)Cc1n[nH]c(=O)[n-]1 ZINC001401366035 994540996 /nfs/dbraw/zinc/54/09/96/994540996.db2.gz KPIWPIRMHYVOCL-UHFFFAOYSA-N -1 0 319.369 -0.143 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001385575114 994543976 /nfs/dbraw/zinc/54/39/76/994543976.db2.gz DHKYCJYLODMEOG-WPRPVWTQSA-N -1 0 323.353 -0.721 20 0 DBADRM CCOC1(C(=O)N2CCN(CC(=O)[O-])CC2)CCOCC1 ZINC001596789952 1017169818 /nfs/dbraw/zinc/16/98/18/1017169818.db2.gz IQPGODMQUJRGTG-UHFFFAOYSA-N -1 0 300.355 -0.199 20 0 DBADRM CN(CCC(=O)[O-])C(=O)[C@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC001552970986 1015871721 /nfs/dbraw/zinc/87/17/21/1015871721.db2.gz JREFGWUJSZODAN-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM CCC(=O)N[C@H]1C[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001385899700 994675278 /nfs/dbraw/zinc/67/52/78/994675278.db2.gz UNIYFBSVVJPMNN-KYZUINATSA-N -1 0 311.342 -0.357 20 0 DBADRM C[C@H](CNC(=O)C(F)F)NC(=O)c1c[n-]n2c1nccc2=O ZINC001386142020 994763513 /nfs/dbraw/zinc/76/35/13/994763513.db2.gz IWXQAQMLLASJLG-ZCFIWIBFSA-N -1 0 313.264 -0.478 20 0 DBADRM C[C@@H](CN(C)Cc1ccn(C)n1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001401758173 994801802 /nfs/dbraw/zinc/80/18/02/994801802.db2.gz PMBMLZKFOACOBH-QMMMGPOBSA-N -1 0 321.341 -0.733 20 0 DBADRM COc1nccc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001401755986 994801875 /nfs/dbraw/zinc/80/18/75/994801875.db2.gz FQQFQTFJMIIHGP-QMMMGPOBSA-N -1 0 321.341 -0.441 20 0 DBADRM C[C@@H](CNC(=O)C1CC(C)C1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001386218155 994809593 /nfs/dbraw/zinc/80/95/93/994809593.db2.gz CASPDRUJMLFHIZ-MGURRDGZSA-N -1 0 311.342 -0.644 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2ncccn2)c1[O-] ZINC001386226469 994810487 /nfs/dbraw/zinc/81/04/87/994810487.db2.gz JLYFJZKPNRZCJL-SSDOTTSWSA-N -1 0 304.310 -0.238 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@H]2CC(=O)N(C)C2)c1[O-] ZINC001386227281 994812816 /nfs/dbraw/zinc/81/28/16/994812816.db2.gz LHNVFDMVZHGREQ-APPZFPTMSA-N -1 0 323.353 -0.863 20 0 DBADRM CC(=O)N1CC(C(=O)NC[C@@H](C)NC(=O)c2ncccc2O)C1 ZINC001386235515 994816742 /nfs/dbraw/zinc/81/67/42/994816742.db2.gz MLLJFKIPURLTNO-SECBINFHSA-N -1 0 320.349 -0.500 20 0 DBADRM CC/C(C)=C/C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001493335242 1015892155 /nfs/dbraw/zinc/89/21/55/1015892155.db2.gz GGQLMQGGZBHZDZ-ORZBULNSSA-N -1 0 321.337 -0.030 20 0 DBADRM COC(=O)[C@H]1C[C@@H]1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001493354237 1015896043 /nfs/dbraw/zinc/89/60/43/1015896043.db2.gz HPOPRIRCTNAWSX-UWVGGRQHSA-N -1 0 323.353 -0.600 20 0 DBADRM COC(=O)[C@H]1C[C@H]1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001493354240 1015896058 /nfs/dbraw/zinc/89/60/58/1015896058.db2.gz HPOPRIRCTNAWSX-ZJUUUORDSA-N -1 0 323.353 -0.600 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@@H]2CCC(=O)NC2)c1[O-] ZINC001386360170 994877372 /nfs/dbraw/zinc/87/73/72/994877372.db2.gz BKCWNRPEZZJDSW-VXNVDRBHSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001386419489 994895730 /nfs/dbraw/zinc/89/57/30/994895730.db2.gz SLYJOTQMDUZJRC-SSDOTTSWSA-N -1 0 320.353 -0.068 20 0 DBADRM CCNC(=O)CN1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001402084173 994911379 /nfs/dbraw/zinc/91/13/79/994911379.db2.gz SXFQFMOTUWLDTF-JTQLQIEISA-N -1 0 309.370 -0.246 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402125078 994935666 /nfs/dbraw/zinc/93/56/66/994935666.db2.gz SIXPIQPXMJPLGO-AMIZOPFISA-N -1 0 310.358 -0.885 20 0 DBADRM CCN1C(=O)CO[C@H](C(=O)[N-]OCCF)[C@H]1c1nccn1C ZINC001553622880 1015902955 /nfs/dbraw/zinc/90/29/55/1015902955.db2.gz BMHSQTAPBBJFEK-QWRGUYRKSA-N -1 0 314.317 -0.274 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)[N-]OCCO ZINC001556278820 1015915925 /nfs/dbraw/zinc/91/59/25/1015915925.db2.gz HRNFMOLKXGTKFN-NOZJJQNGSA-N -1 0 304.343 -0.213 20 0 DBADRM C[C@@H](CNC(=O)C1(C)CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001386841979 995122304 /nfs/dbraw/zinc/12/23/04/995122304.db2.gz SNPSERHDVMCMJA-QMMMGPOBSA-N -1 0 308.338 -0.480 20 0 DBADRM COCCO[C@H]1C[C@H](CO)CN(C(=O)c2c[n-]ncc2=O)C1 ZINC001556436300 1015919158 /nfs/dbraw/zinc/91/91/58/1015919158.db2.gz RUGKIWOKTHSVEC-QWRGUYRKSA-N -1 0 311.338 -0.332 20 0 DBADRM O=C(N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc[nH]1 ZINC001402456331 995149674 /nfs/dbraw/zinc/14/96/74/995149674.db2.gz ZCJAXHAPLAHADY-CQSZACIVSA-N -1 0 320.353 -0.405 20 0 DBADRM O=C(c1cnc2nccn2c1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001556348236 1015920037 /nfs/dbraw/zinc/92/00/37/1015920037.db2.gz CCNVOFFXRATCGF-UHFFFAOYSA-N -1 0 314.309 -0.634 20 0 DBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2c[n-]ncc2=O)C1 ZINC001556436298 1015920354 /nfs/dbraw/zinc/92/03/54/1015920354.db2.gz RUGKIWOKTHSVEC-GHMZBOCLSA-N -1 0 311.338 -0.332 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)Cn2ccnc2)c1[O-] ZINC001386910747 995169237 /nfs/dbraw/zinc/16/92/37/995169237.db2.gz VIZIAIIUJRGJMI-MRVPVSSYSA-N -1 0 306.326 -0.445 20 0 DBADRM CC[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(OC)OC ZINC001556492476 1015923050 /nfs/dbraw/zinc/92/30/50/1015923050.db2.gz FSUCNSCRKFEEOV-QMMMGPOBSA-N -1 0 302.331 -0.017 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001402596560 995206683 /nfs/dbraw/zinc/20/66/83/995206683.db2.gz RYGUPMNUGHOHGL-SNVBAGLBSA-N -1 0 310.358 -0.883 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)N(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001387014825 995214295 /nfs/dbraw/zinc/21/42/95/995214295.db2.gz ODQXIKPGFGXSHQ-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM CN(CCCN(C)C(=O)c1ccncn1)Cc1n[nH]c(=O)[n-]1 ZINC001402663668 995239466 /nfs/dbraw/zinc/23/94/66/995239466.db2.gz YILHILYSRIQTCW-UHFFFAOYSA-N -1 0 305.342 -0.106 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1=CCCC1 ZINC001387260987 995309007 /nfs/dbraw/zinc/30/90/07/995309007.db2.gz BBQOSTAKDOQDQE-UHFFFAOYSA-N -1 0 321.337 -0.029 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NCCN(CC)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387318828 995323836 /nfs/dbraw/zinc/32/38/36/995323836.db2.gz SEYDPRFIRKFOTF-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM Cn1ncc(CCCNC(=O)CCCn2c(=O)[n-][nH]c2=O)n1 ZINC001556799953 1015935790 /nfs/dbraw/zinc/93/57/90/1015935790.db2.gz ALXOMMXGDNYUCO-UHFFFAOYSA-N -1 0 309.330 -0.653 20 0 DBADRM CN(CCNC(=O)c1cccn1C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387639025 995399246 /nfs/dbraw/zinc/39/92/46/995399246.db2.gz VGTUESKNJORRMA-UHFFFAOYSA-N -1 0 320.309 -0.877 20 0 DBADRM C[C@H](CNC(=O)Cc1cnn(C)c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403095664 995405747 /nfs/dbraw/zinc/40/57/47/995405747.db2.gz CSPNYRFGXPIREK-SECBINFHSA-N -1 0 307.358 -0.577 20 0 DBADRM C[C@@H](CNC(=O)c1cn2c(n1)CCC2)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403128435 995417911 /nfs/dbraw/zinc/41/79/11/995417911.db2.gz QRSACKPSCWZFPL-VIFPVBQESA-N -1 0 319.369 -0.097 20 0 DBADRM C[C@H](C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001387678230 995419974 /nfs/dbraw/zinc/41/99/74/995419974.db2.gz ZSEZRCAHUPBPRJ-ZETCQYMHSA-N -1 0 309.326 -0.483 20 0 DBADRM CC(C)CCC(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001403197742 995445388 /nfs/dbraw/zinc/44/53/88/995445388.db2.gz LSDMBLUSVPIWGP-UHFFFAOYSA-N -1 0 311.386 -0.001 20 0 DBADRM CON(C)C(=O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001557074679 1015944805 /nfs/dbraw/zinc/94/48/05/1015944805.db2.gz IDCXQVYSBBESBD-UHFFFAOYSA-N -1 0 307.266 -0.814 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)cn1 ZINC001557579688 1015952375 /nfs/dbraw/zinc/95/23/75/1015952375.db2.gz WCIWJKJLHVKTML-ZETCQYMHSA-N -1 0 306.278 -0.205 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NCc1nccs1 ZINC001403571657 995580703 /nfs/dbraw/zinc/58/07/03/995580703.db2.gz MAEPEBZJVUFWBY-ZETCQYMHSA-N -1 0 324.366 -0.010 20 0 DBADRM CC[C@H](C)C(=O)NC[C@H](CC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388030995 995582977 /nfs/dbraw/zinc/58/29/77/995582977.db2.gz HVNJMJZHNOBCNT-IUCAKERBSA-N -1 0 313.358 -0.254 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001596864416 1017172721 /nfs/dbraw/zinc/17/27/21/1017172721.db2.gz VIVIGOTXYSMNIH-VXNVDRBHSA-N -1 0 319.339 -0.420 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1(C)CC1 ZINC001388135352 995615493 /nfs/dbraw/zinc/61/54/93/995615493.db2.gz SJWMPAGBBXPSBI-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)oc1C ZINC001403667520 995633466 /nfs/dbraw/zinc/63/34/66/995633466.db2.gz USCSVSUJRWFDAX-VIFPVBQESA-N -1 0 309.326 -0.399 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCCN1C(=O)C(F)F ZINC001388335492 995657075 /nfs/dbraw/zinc/65/70/75/995657075.db2.gz OTXNPZOHCUKXSB-ZCFIWIBFSA-N -1 0 319.268 -0.938 20 0 DBADRM C[C@H](O)[C@H](O)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC001557729559 1015961017 /nfs/dbraw/zinc/96/10/17/1015961017.db2.gz GZMWYEFFOVAOEL-WRWORJQWSA-N -1 0 323.374 -0.306 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001403773939 995698849 /nfs/dbraw/zinc/69/88/49/995698849.db2.gz CUEFQMGECPTFKH-KOLCDFICSA-N -1 0 324.385 -0.542 20 0 DBADRM CCN1CC[C@H]1CN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001388645896 995722718 /nfs/dbraw/zinc/72/27/18/995722718.db2.gz AKSLZQMQGJQHRC-JTQLQIEISA-N -1 0 304.354 -0.376 20 0 DBADRM COCCN(CCNC(C)=O)Cc1cc(=O)n2[n-]ccc2n1 ZINC001403959335 995787544 /nfs/dbraw/zinc/78/75/44/995787544.db2.gz QJGGRZQZJGHTIA-UHFFFAOYSA-N -1 0 307.354 -0.393 20 0 DBADRM COCCN(CCNC(=O)c1cc[nH]c1)Cc1n[nH]c(=O)[n-]1 ZINC001403970434 995792233 /nfs/dbraw/zinc/79/22/33/995792233.db2.gz ISLINDBYKYNKJY-UHFFFAOYSA-N -1 0 308.342 -0.283 20 0 DBADRM COCCN(CCNC(=O)c1nc(C)c[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001403975726 995793674 /nfs/dbraw/zinc/79/36/74/995793674.db2.gz VEJJAPILJPJGHY-UHFFFAOYSA-N -1 0 323.357 -0.580 20 0 DBADRM CC(C)[C@@H](F)C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001404030221 995806201 /nfs/dbraw/zinc/80/62/01/995806201.db2.gz UXVKHTRFOZXRRY-GXSJLCMTSA-N -1 0 317.365 -0.245 20 0 DBADRM CC(C)[C@@H](F)C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001404030237 995806331 /nfs/dbraw/zinc/80/63/31/995806331.db2.gz UXVKHTRFOZXRRY-MWLCHTKSSA-N -1 0 317.365 -0.245 20 0 DBADRM CO[C@H](C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001404056652 995809654 /nfs/dbraw/zinc/80/96/54/995809654.db2.gz DFXIJOWRIPUFEA-CABZTGNLSA-N -1 0 309.370 -0.127 20 0 DBADRM COC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001404378611 995865941 /nfs/dbraw/zinc/86/59/41/995865941.db2.gz GUXICMHSBJJDDF-DTORHVGOSA-N -1 0 324.341 -0.959 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2n[nH]cc2F)c1[O-] ZINC001389266327 995916661 /nfs/dbraw/zinc/91/66/61/995916661.db2.gz ZUFXZQDRNHSEDX-RXMQYKEDSA-N -1 0 310.289 -0.166 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CCC1CC1 ZINC001389311827 995931245 /nfs/dbraw/zinc/93/12/45/995931245.db2.gz YCMCGHPQJLNVLU-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM CCOCC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001596860421 1017173555 /nfs/dbraw/zinc/17/35/55/1017173555.db2.gz DHEDVLDPTIFUEU-NXEZZACHSA-N -1 0 308.338 -0.108 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001389459624 995996885 /nfs/dbraw/zinc/99/68/85/995996885.db2.gz JWMGXNNTUKKTHA-RKDXNWHRSA-N -1 0 310.358 -0.885 20 0 DBADRM CCC(=O)NC[C@H]1CCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001389570200 996030483 /nfs/dbraw/zinc/03/04/83/996030483.db2.gz DETYOZKLUNRYPA-MRVPVSSYSA-N -1 0 309.326 -0.658 20 0 DBADRM CC(=O)N1CC(CNC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC001389798891 996103649 /nfs/dbraw/zinc/10/36/49/996103649.db2.gz JYYQONHLTSOCFV-UHFFFAOYSA-N -1 0 308.382 -0.031 20 0 DBADRM O=C(CCCF)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001389876742 996126550 /nfs/dbraw/zinc/12/65/50/996126550.db2.gz JQRCTZJAQVVIEL-UHFFFAOYSA-N -1 0 315.305 -0.986 20 0 DBADRM CN(C)C(=O)CCCC(=O)NCC1(NC(=O)c2cn[nH]n2)CC1 ZINC001389912300 996138149 /nfs/dbraw/zinc/13/81/49/996138149.db2.gz BHQZWOBVFAMLME-UHFFFAOYSA-N -1 0 322.369 -0.558 20 0 DBADRM CC(C)(F)C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001389921681 996138753 /nfs/dbraw/zinc/13/87/53/996138753.db2.gz CMPRWMMTACOESD-UHFFFAOYSA-N -1 0 313.289 -0.591 20 0 DBADRM CC[C@H](CNC(=O)CC1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001390168683 996197296 /nfs/dbraw/zinc/19/72/96/996197296.db2.gz YYGSWMQWWKXVMA-SECBINFHSA-N -1 0 311.342 -0.500 20 0 DBADRM CC(C)C(=O)N[C@@]1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001390185857 996198287 /nfs/dbraw/zinc/19/82/87/996198287.db2.gz CUMYBNZTJZKGEF-ZDUSSCGKSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)N1CCC(C)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001390350332 996231125 /nfs/dbraw/zinc/23/11/25/996231125.db2.gz GIUSPDNQOPKYPK-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)Cc1cn(-c2ccn(C)n2)nn1 ZINC001596883422 1017175021 /nfs/dbraw/zinc/17/50/21/1017175021.db2.gz CSAYTIWGULZQGN-LLVKDONJSA-N -1 0 308.342 -0.078 20 0 DBADRM Cc1ccn(C[C@@H](C)C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001390762244 996361900 /nfs/dbraw/zinc/36/19/00/996361900.db2.gz ALSQAMUGJSOVPJ-SNVBAGLBSA-N -1 0 321.385 -0.100 20 0 DBADRM COc1ccc(CC(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)nc1 ZINC001390811734 996380176 /nfs/dbraw/zinc/38/01/76/996380176.db2.gz GIJXTUDMQADYSQ-UHFFFAOYSA-N -1 0 320.353 -0.295 20 0 DBADRM CCN(CCNC(=O)c1c(C)ncn1C)Cc1n[nH]c(=O)[n-]1 ZINC001390918324 996409260 /nfs/dbraw/zinc/40/92/60/996409260.db2.gz YWMVHBDBKGQALS-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1nccs1 ZINC001390953588 996414240 /nfs/dbraw/zinc/41/42/40/996414240.db2.gz XKRXJYYJIFPNCG-UHFFFAOYSA-N -1 0 324.366 -0.009 20 0 DBADRM CCOCC(=O)N1CCC[C@@H]1CNC(=O)c1cnc[nH]c1=O ZINC001391039121 996427464 /nfs/dbraw/zinc/42/74/64/996427464.db2.gz ZDINLOICOHDCCI-SNVBAGLBSA-N -1 0 308.338 -0.061 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC001593762539 996431259 /nfs/dbraw/zinc/43/12/59/996431259.db2.gz NZJGVXPBHQXKOX-RWSFTLGLSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001593766452 996446988 /nfs/dbraw/zinc/44/69/88/996446988.db2.gz OWTLHFUANFIFGN-AWEZNQCLSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C(CCn1ccnc1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391096449 996450151 /nfs/dbraw/zinc/45/01/51/996450151.db2.gz LFEQLGQAUZSZKB-LLVKDONJSA-N -1 0 319.369 -0.265 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)[C@H]1CC12CC2 ZINC001391314552 996513122 /nfs/dbraw/zinc/51/31/22/996513122.db2.gz FIBNZOMNWNPOBM-DTWKUNHWSA-N -1 0 323.353 -0.642 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001391311857 996513227 /nfs/dbraw/zinc/51/32/27/996513227.db2.gz LFPQDMOEJMJJGR-IWSPIJDZSA-N -1 0 323.353 -0.189 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(c2nnnn2CCO[C@@H]2CCOC2)C1 ZINC001593802032 996526216 /nfs/dbraw/zinc/52/62/16/996526216.db2.gz QRYQYSPSHRRFSZ-ZWNOBZJWSA-N -1 0 311.342 -0.220 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391491083 996556251 /nfs/dbraw/zinc/55/62/51/996556251.db2.gz SFLPOBUBEVROFT-SNVBAGLBSA-N -1 0 322.369 -0.883 20 0 DBADRM Cn1cc(CCC(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001391521947 996563531 /nfs/dbraw/zinc/56/35/31/996563531.db2.gz GEECRZAIMKEWMA-UHFFFAOYSA-N -1 0 319.369 -0.575 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)C(=O)c1cc(C(=O)[O-])nn1C ZINC001596886696 1017176113 /nfs/dbraw/zinc/17/61/13/1017176113.db2.gz MKEXYWZZXQZEOB-SNVBAGLBSA-N -1 0 313.310 -0.232 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001596872753 1017176121 /nfs/dbraw/zinc/17/61/21/1017176121.db2.gz OMNNJZGKSRQQHW-QWRGUYRKSA-N -1 0 302.327 -0.818 20 0 DBADRM CCC(=O)N[C@H]1CCC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001391907919 996654031 /nfs/dbraw/zinc/65/40/31/996654031.db2.gz KWHYENJDJWLGPQ-IUCAKERBSA-N -1 0 311.342 -0.500 20 0 DBADRM CN(CCN(C)C(=O)c1ncccc1O)Cc1n[nH]c(=O)[n-]1 ZINC001392269653 996769126 /nfs/dbraw/zinc/76/91/26/996769126.db2.gz QXPXQOIHUYAHSG-UHFFFAOYSA-N -1 0 306.326 -0.185 20 0 DBADRM CC1(C)CCN(Cn2cc(C(=O)[O-])nn2)CCS1(=O)=O ZINC001593922851 996835022 /nfs/dbraw/zinc/83/50/22/996835022.db2.gz BERXFBGZXWFMID-UHFFFAOYSA-N -1 0 302.356 -0.167 20 0 DBADRM CC(=O)N1CC([C@H](C)NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001404662542 996838079 /nfs/dbraw/zinc/83/80/79/996838079.db2.gz PEZKBAQFKYEXSG-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(CC1(O)CCC1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404692487 996844225 /nfs/dbraw/zinc/84/42/25/996844225.db2.gz BNOOXEPWQXPSEI-JTQLQIEISA-N -1 0 309.370 -0.104 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001599075182 996846604 /nfs/dbraw/zinc/84/66/04/996846604.db2.gz SWIJQMLAXBQXKU-OAHLLOKOSA-N -1 0 323.349 -0.161 20 0 DBADRM CC1(C)CN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1(C)C ZINC001593924594 996853022 /nfs/dbraw/zinc/85/30/22/996853022.db2.gz PKZAGEMCKUIAOQ-VHSXEESVSA-N -1 0 312.366 -0.073 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001599075651 996857614 /nfs/dbraw/zinc/85/76/14/996857614.db2.gz MMVGRQPWYZYJMH-HZMBPMFUSA-N -1 0 324.337 -0.370 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404811996 996873608 /nfs/dbraw/zinc/87/36/08/996873608.db2.gz UJKQKEGUNZEGHT-UHFFFAOYSA-N -1 0 324.385 -0.637 20 0 DBADRM O=C(COCc1cccnc1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404839631 996881550 /nfs/dbraw/zinc/88/15/50/996881550.db2.gz LJWHKZSNXZJLRI-UHFFFAOYSA-N -1 0 318.337 -0.578 20 0 DBADRM CC1(C)CN(C(=O)CN2CCC[C@H](O)[C@H]2C(=O)[O-])CCO1 ZINC001593928969 996882917 /nfs/dbraw/zinc/88/29/17/996882917.db2.gz ZSHPOYMHNZSKLC-JQWIXIFHSA-N -1 0 300.355 -0.466 20 0 DBADRM CC1(C(=O)NC[C@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001404848619 996883842 /nfs/dbraw/zinc/88/38/42/996883842.db2.gz OUGCHKWRMRQOJC-KYZUINATSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@@H](CN(C)C(=O)C1CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001404973819 996926074 /nfs/dbraw/zinc/92/60/74/996926074.db2.gz RATSBDQKSSKNOU-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM CCNC(=O)CC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001493848988 1016080127 /nfs/dbraw/zinc/08/01/27/1016080127.db2.gz AAQIWPUVHICJAI-VIFPVBQESA-N -1 0 323.353 -0.719 20 0 DBADRM CC(C)(CS(=O)(=O)N1C[C@@H](CO)OC(C)(C)C1)C(=O)[O-] ZINC001593945023 996985020 /nfs/dbraw/zinc/98/50/20/996985020.db2.gz LYVPSDNWMLWHOM-VIFPVBQESA-N -1 0 309.384 -0.101 20 0 DBADRM C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@]1(C)CCCOC1 ZINC001392521467 996994220 /nfs/dbraw/zinc/99/42/20/996994220.db2.gz UWVFTZRGAOKQAH-YGRLFVJLSA-N -1 0 311.386 -0.481 20 0 DBADRM Cc1cc(CNC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001392532537 997007571 /nfs/dbraw/zinc/00/75/71/997007571.db2.gz UIQWBWVCMLRWRV-SSDOTTSWSA-N -1 0 310.314 -0.720 20 0 DBADRM CCN(C(=O)CN(C)C(C)=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001405158620 997031209 /nfs/dbraw/zinc/03/12/09/997031209.db2.gz CZGXQWCMHKKSIG-LLVKDONJSA-N -1 0 324.385 -0.589 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001392655051 997115810 /nfs/dbraw/zinc/11/58/10/997115810.db2.gz XQPDTJKGRQWUGZ-BDAKNGLRSA-N -1 0 311.342 -0.600 20 0 DBADRM Cc1cc(OCC(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001392662721 997122635 /nfs/dbraw/zinc/12/26/35/997122635.db2.gz MZSNPRMYSOLHGJ-QMMMGPOBSA-N -1 0 324.341 -0.178 20 0 DBADRM Cc1c(CC(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001392662513 997123622 /nfs/dbraw/zinc/12/36/22/997123622.db2.gz YGZWXRBCSSCVBH-SECBINFHSA-N -1 0 321.385 -0.269 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)OCC(=O)CCC(=O)[O-])C1=O ZINC001593968919 997124498 /nfs/dbraw/zinc/12/44/98/997124498.db2.gz OAWRDDRHVWHKRL-UHFFFAOYSA-N -1 0 300.267 -0.706 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)OCCCC(=O)C(=O)[O-])C1=O ZINC001593969012 997126358 /nfs/dbraw/zinc/12/63/58/997126358.db2.gz SBTMDGSGAVAWPO-UHFFFAOYSA-N -1 0 300.267 -0.706 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cn[nH]c(=O)c1 ZINC001392667376 997128324 /nfs/dbraw/zinc/12/83/24/997128324.db2.gz PECMBLQALYXCMV-ZETCQYMHSA-N -1 0 307.314 -0.744 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1=O ZINC001593969135 997129483 /nfs/dbraw/zinc/12/94/83/997129483.db2.gz ZOXIPVGYNPFSDE-FSPLSTOPSA-N -1 0 319.264 -0.601 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])O1 ZINC001593972668 997144344 /nfs/dbraw/zinc/14/43/44/997144344.db2.gz BXBGSFBRLMJPEA-ZJUUUORDSA-N -1 0 314.338 -0.280 20 0 DBADRM CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001405286661 997162046 /nfs/dbraw/zinc/16/20/46/997162046.db2.gz KIIOUDAMDJXAGE-BDAKNGLRSA-N -1 0 314.342 -0.944 20 0 DBADRM C[C@@H](CNC(=O)CC1CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001392979242 997344961 /nfs/dbraw/zinc/34/49/61/997344961.db2.gz FTINAMNTRLULHF-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM CN(C(=O)CCn1cccn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001392989131 997348807 /nfs/dbraw/zinc/34/88/07/997348807.db2.gz QQTFBYHJQGQRDT-UHFFFAOYSA-N -1 0 305.342 -0.560 20 0 DBADRM CCC(=O)N[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)(C)C ZINC001405710029 997402638 /nfs/dbraw/zinc/40/26/38/997402638.db2.gz KLWPZZQIQQSYEY-ZETCQYMHSA-N -1 0 311.342 -0.047 20 0 DBADRM COCC(=O)NC[C@@H]1CCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001393227862 997462505 /nfs/dbraw/zinc/46/25/05/997462505.db2.gz KRRLBUIWZSRKHK-QMMMGPOBSA-N -1 0 320.305 -0.095 20 0 DBADRM Cc1cc(C(=O)NC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C(C)C)on1 ZINC001406005799 997485745 /nfs/dbraw/zinc/48/57/45/997485745.db2.gz LSLGLUNWQQCNNR-JTQLQIEISA-N -1 0 322.369 -0.051 20 0 DBADRM Cc1occc1C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393244857 997486102 /nfs/dbraw/zinc/48/61/02/997486102.db2.gz WQCXRCQQMKVZKN-AWEZNQCLSA-N -1 0 321.337 -0.221 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CC12CC2 ZINC001393269438 997519986 /nfs/dbraw/zinc/51/99/86/997519986.db2.gz FRAHYGSYZNZMRC-OTYXRUKQSA-N -1 0 307.354 -0.637 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CC12CC2 ZINC001393269448 997520567 /nfs/dbraw/zinc/52/05/67/997520567.db2.gz FRAHYGSYZNZMRC-YMTOWFKASA-N -1 0 307.354 -0.637 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NCC1(O)CN(CCOC(C)C)C1 ZINC001393331419 997592157 /nfs/dbraw/zinc/59/21/57/997592157.db2.gz RQNKQNQGHHVCBN-UHFFFAOYSA-N -1 0 324.381 -0.308 20 0 DBADRM CC(C)C[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393336844 997598512 /nfs/dbraw/zinc/59/85/12/997598512.db2.gz CHFSYBBIIATBLK-GHMZBOCLSA-N -1 0 323.397 -0.145 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001596889131 1017179045 /nfs/dbraw/zinc/17/90/45/1017179045.db2.gz IYDXYXQUQJUNHT-AXFHLTTASA-N -1 0 309.384 -0.101 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NCC1(NC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001393528280 997714305 /nfs/dbraw/zinc/71/43/05/997714305.db2.gz GQMRJVWWOFFNQN-QMMMGPOBSA-N -1 0 323.353 -0.673 20 0 DBADRM CN(CCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C(=O)CC1CC1 ZINC001494086118 1016148922 /nfs/dbraw/zinc/14/89/22/1016148922.db2.gz DJGKNTRSLMRTQL-UHFFFAOYSA-N -1 0 322.413 -0.114 20 0 DBADRM CCCCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC001406379714 997727883 /nfs/dbraw/zinc/72/78/83/997727883.db2.gz GSTWGLHNIPAUOF-ZJUUUORDSA-N -1 0 310.354 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)[C@H]3CCCO3)CC2)c1[O-] ZINC001393607460 997764383 /nfs/dbraw/zinc/76/43/83/997764383.db2.gz XQDTUIYFBBREAX-SECBINFHSA-N -1 0 308.338 -0.019 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)CC2(N(C)C)CC2)[C@@H](C(=O)[O-])C1 ZINC001599122902 997774188 /nfs/dbraw/zinc/77/41/88/997774188.db2.gz IBXZWMXKLXRGFD-WDEREUQCSA-N -1 0 320.411 -0.026 20 0 DBADRM CC(C)C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001406540492 997811625 /nfs/dbraw/zinc/81/16/25/997811625.db2.gz PAPSIHQHNFXGRM-DTORHVGOSA-N -1 0 311.342 -0.644 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001393865512 997873428 /nfs/dbraw/zinc/87/34/28/997873428.db2.gz ROSDALZSZFXNLZ-SNVBAGLBSA-N -1 0 310.358 -0.931 20 0 DBADRM O=C(CO[C@@H]1CCOC1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001406831032 997890492 /nfs/dbraw/zinc/89/04/92/997890492.db2.gz PJVHQUXUTUVVQA-VHSXEESVSA-N -1 0 311.342 -0.994 20 0 DBADRM CCOCc1cccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC001596950130 1017180132 /nfs/dbraw/zinc/18/01/32/1017180132.db2.gz SLSOFGFUXVCQFQ-NSHDSACASA-N -1 0 303.336 -0.053 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(N[C@@H](C)c3nnnn3C)CC2)c1[O-] ZINC001406908416 997932451 /nfs/dbraw/zinc/93/24/51/997932451.db2.gz OVCWYDBMJJGQJM-QMMMGPOBSA-N -1 0 320.357 -0.440 20 0 DBADRM Cn1ccc(CC(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001406917647 997933691 /nfs/dbraw/zinc/93/36/91/997933691.db2.gz JNDXXTCHVZCONF-UHFFFAOYSA-N -1 0 305.342 -0.775 20 0 DBADRM CN1CC[C@@H](C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)CC1=O ZINC001406946459 997949800 /nfs/dbraw/zinc/94/98/00/997949800.db2.gz YXNGCEMNGHGVDL-SECBINFHSA-N -1 0 322.369 -0.883 20 0 DBADRM CCN1C[C@@H](C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001394064329 997953267 /nfs/dbraw/zinc/95/32/67/997953267.db2.gz BCDMSQTUXQIJMW-UWVGGRQHSA-N -1 0 324.385 -0.685 20 0 DBADRM Cc1c(CC(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001394075178 997962828 /nfs/dbraw/zinc/96/28/28/997962828.db2.gz DCPDIEUEWYDDOL-VIFPVBQESA-N -1 0 321.385 -0.269 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(NCc2nccs2)CC1 ZINC001406994645 997969772 /nfs/dbraw/zinc/96/97/72/997969772.db2.gz NZPQITDBHWHZTB-UHFFFAOYSA-N -1 0 324.366 -0.416 20 0 DBADRM COCCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ncccn1 ZINC001599237593 997973380 /nfs/dbraw/zinc/97/33/80/997973380.db2.gz AGZBYYRFNYXDQY-GHMZBOCLSA-N -1 0 308.338 -0.234 20 0 DBADRM COC[C@@H](C)C(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001407036149 997984347 /nfs/dbraw/zinc/98/43/47/997984347.db2.gz HCLDARWSTJYGQN-SECBINFHSA-N -1 0 310.354 -0.009 20 0 DBADRM COCCN(CCO)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001599238150 997984280 /nfs/dbraw/zinc/98/42/80/997984280.db2.gz KOSCABJPSCISQW-UHFFFAOYSA-N -1 0 310.306 -0.209 20 0 DBADRM Cc1ncc(CN(C)[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001394135704 998001569 /nfs/dbraw/zinc/00/15/69/998001569.db2.gz ZYPBACXUMZXZPT-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)CC1=O ZINC001599239453 998010392 /nfs/dbraw/zinc/01/03/92/998010392.db2.gz DDMOQFHTTBXMEP-KIGUWFBYSA-N -1 0 310.350 -0.149 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@](C)(CCF)C(=O)[O-])CC1=O ZINC001599239621 998013645 /nfs/dbraw/zinc/01/36/45/998013645.db2.gz GXKVFZKCSLZFHI-NOZJJQNGSA-N -1 0 304.318 -0.200 20 0 DBADRM COC[C@H](OC)C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407165775 998048665 /nfs/dbraw/zinc/04/86/65/998048665.db2.gz KOHPANFBABVZPZ-TVQRCGJNSA-N -1 0 313.358 -0.748 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccsc1 ZINC001407327187 998108784 /nfs/dbraw/zinc/10/87/84/998108784.db2.gz GUZZVZHLVCLGTO-CYBMUJFWSA-N -1 0 323.378 -0.061 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001407364227 998135037 /nfs/dbraw/zinc/13/50/37/998135037.db2.gz HZOSHVAROGOBPL-RWSFTLGLSA-N -1 0 321.381 -0.391 20 0 DBADRM CCC(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001494188470 1016187101 /nfs/dbraw/zinc/18/71/01/1016187101.db2.gz XONNEWBECMZUBY-DTORHVGOSA-N -1 0 323.353 -0.673 20 0 DBADRM Cc1conc1CN[C@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001394496711 998167066 /nfs/dbraw/zinc/16/70/66/998167066.db2.gz AWSLWXDXDILSJB-MRVPVSSYSA-N -1 0 322.325 -0.170 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H](O)C(C)C)C2)c1[O-] ZINC001494203522 1016193252 /nfs/dbraw/zinc/19/32/52/1016193252.db2.gz LDDRDRORKWYPTO-WCABBAIRSA-N -1 0 310.354 -0.182 20 0 DBADRM C[C@@H]1CCC[C@@]1(C)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407421170 998187034 /nfs/dbraw/zinc/18/70/34/998187034.db2.gz AMPSKOQVDBFGOP-QMTHXVAHSA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(Cc1ccco1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407439952 998199632 /nfs/dbraw/zinc/19/96/32/998199632.db2.gz FSBJBAHFRDBQCW-UHFFFAOYSA-N -1 0 307.310 -0.991 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)C1(C(=O)OC)CCC1 ZINC001599150527 998289590 /nfs/dbraw/zinc/28/95/90/998289590.db2.gz QPQUXUZNPGZPPJ-LLVKDONJSA-N -1 0 323.367 -0.119 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)CCN1CCOC1=O ZINC001599150625 998291621 /nfs/dbraw/zinc/29/16/21/998291621.db2.gz WJLIHMHKZGLSNO-LLVKDONJSA-N -1 0 324.355 -0.762 20 0 DBADRM COC[C@@](C)(NC(=O)/C=C(\C)CN1CCOCC1)C(=O)[O-] ZINC001599150947 998296919 /nfs/dbraw/zinc/29/69/19/998296919.db2.gz CELCGQZPKDHCBQ-BMGYJQCNSA-N -1 0 300.355 -0.129 20 0 DBADRM Cc1ncccc1CC(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001394634782 998322235 /nfs/dbraw/zinc/32/22/35/998322235.db2.gz KVPRJRHSOAAYQZ-LLVKDONJSA-N -1 0 320.353 -0.977 20 0 DBADRM CC(C)OCC(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001407741141 998343961 /nfs/dbraw/zinc/34/39/61/998343961.db2.gz NNRYYXDDXRDPJC-JTQLQIEISA-N -1 0 313.358 -0.748 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](NC(=O)C2CC2)C1 ZINC001407792903 998372243 /nfs/dbraw/zinc/37/22/43/998372243.db2.gz OGESIORYTVQFSB-MGCOHNPYSA-N -1 0 323.353 -0.357 20 0 DBADRM CCO[C@H]1C[C@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001596986680 1017183034 /nfs/dbraw/zinc/18/30/34/1017183034.db2.gz FASZDGSPFMSCNP-XKNYDFJKSA-N -1 0 301.343 -0.169 20 0 DBADRM O=C([C@@H]1CC12CC2)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001408036771 998464495 /nfs/dbraw/zinc/46/44/95/998464495.db2.gz QKSMMRNTKMBAIN-BONVTDFDSA-N -1 0 321.381 -0.247 20 0 DBADRM C[C@H](CNC(=O)C1CC1)NC(=O)c1c[n-]n2c1nccc2=O ZINC001408054168 998470499 /nfs/dbraw/zinc/47/04/99/998470499.db2.gz FJEAVGLMKJJWNG-MRVPVSSYSA-N -1 0 303.322 -0.333 20 0 DBADRM C[C@H](CNC(=O)C1CC1)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001408056155 998471733 /nfs/dbraw/zinc/47/17/33/998471733.db2.gz HSEVJLHATAVYOE-SSDOTTSWSA-N -1 0 309.326 -0.754 20 0 DBADRM CS[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001394768602 998475307 /nfs/dbraw/zinc/47/53/07/998475307.db2.gz OGSZXEWLCCHWKX-BDAKNGLRSA-N -1 0 317.415 -0.487 20 0 DBADRM C[C@@H](CNC(=O)CCc1ccncn1)NC(=O)c1cn[nH]n1 ZINC001408181199 998539648 /nfs/dbraw/zinc/53/96/48/998539648.db2.gz BTBZQVXNMQERKT-VIFPVBQESA-N -1 0 303.326 -0.538 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)Cc2cnoc2)c1[O-] ZINC001408281182 998587476 /nfs/dbraw/zinc/58/74/76/998587476.db2.gz JZMAOXPMVSLQOK-SSDOTTSWSA-N -1 0 307.310 -0.111 20 0 DBADRM C[C@@H](CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001408283611 998590008 /nfs/dbraw/zinc/59/00/08/998590008.db2.gz RXTDHSBVWYTMRE-PSQXESDUSA-N -1 0 321.337 -0.293 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC001395059976 998591309 /nfs/dbraw/zinc/59/13/09/998591309.db2.gz AECDCELEIFPTGK-APPZFPTMSA-N -1 0 323.353 -0.721 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CC12CC2)NC(=O)c1cnc([O-])n(C)c1=O ZINC001408360275 998612601 /nfs/dbraw/zinc/61/26/01/998612601.db2.gz STGOETLWHJBILU-WPRPVWTQSA-N -1 0 320.349 -0.480 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CC12CC2)NC(=O)c1cnc([O-])n(C)c1=O ZINC001408360273 998612974 /nfs/dbraw/zinc/61/29/74/998612974.db2.gz STGOETLWHJBILU-SCZZXKLOSA-N -1 0 320.349 -0.480 20 0 DBADRM CC(C)C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001408399540 998621316 /nfs/dbraw/zinc/62/13/16/998621316.db2.gz NTLLYVQQIZBTIO-MRVPVSSYSA-N -1 0 309.326 -0.483 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(C)C ZINC001395634489 998698310 /nfs/dbraw/zinc/69/83/10/998698310.db2.gz ZFAQCTTVUHDFMB-ZETCQYMHSA-N -1 0 311.342 -0.094 20 0 DBADRM CCON(CC)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001596964417 1017183597 /nfs/dbraw/zinc/18/35/97/1017183597.db2.gz UYLZKTXBAJTRHV-UHFFFAOYSA-N -1 0 320.327 -0.814 20 0 DBADRM CO[C@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001396000304 998814552 /nfs/dbraw/zinc/81/45/52/998814552.db2.gz LOMGQIWVVXLPLP-BDAKNGLRSA-N -1 0 314.342 -0.992 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNC(=O)C2(C)CC2)c1[O-] ZINC001396004057 998815725 /nfs/dbraw/zinc/81/57/25/998815725.db2.gz XBXQOHRMRMVMMG-VIFPVBQESA-N -1 0 310.354 -0.227 20 0 DBADRM CCC(=O)NC[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)(C)C ZINC001396147536 998833908 /nfs/dbraw/zinc/83/39/08/998833908.db2.gz PRAJDUJIONSPHE-ZETCQYMHSA-N -1 0 311.342 -0.047 20 0 DBADRM Cc1nccc(N(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001396160688 998834351 /nfs/dbraw/zinc/83/43/51/998834351.db2.gz XOBATAJWWKBCMJ-UHFFFAOYSA-N -1 0 307.314 -0.960 20 0 DBADRM CC(=O)NCC(=O)N(C)C[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001396453996 998866020 /nfs/dbraw/zinc/86/60/20/998866020.db2.gz IVPYIBRHVKUHBO-JTQLQIEISA-N -1 0 323.353 -0.767 20 0 DBADRM CC(C)C(=O)N(C)C[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001396459926 998866565 /nfs/dbraw/zinc/86/65/65/998866565.db2.gz HKZFEFTUQCUBEB-QMMMGPOBSA-N -1 0 309.326 -0.388 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)[C@@H](C)CC(N)=O)CC2)c1[O-] ZINC001396717111 998888921 /nfs/dbraw/zinc/88/89/21/998888921.db2.gz JFZZXZXCENCXOU-QMMMGPOBSA-N -1 0 323.353 -0.780 20 0 DBADRM CC(=O)N[C@@H]1[C@H]2CN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001397341747 999018519 /nfs/dbraw/zinc/01/85/19/999018519.db2.gz UDADUKKDQJCRFA-JZYVYDRUSA-N -1 0 309.326 -0.938 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2cnsn2)c1[O-] ZINC001397425926 999043990 /nfs/dbraw/zinc/04/39/90/999043990.db2.gz ZJXUWYMWLABFOS-RXMQYKEDSA-N -1 0 310.339 -0.176 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397514152 999069224 /nfs/dbraw/zinc/06/92/24/999069224.db2.gz HUEIRDRWHWAXMA-IWSPIJDZSA-N -1 0 311.342 -0.644 20 0 DBADRM COc1nn(C)cc1C(=O)NC[C@H](C)NC(=O)c1cn[nH]n1 ZINC001397526409 999071475 /nfs/dbraw/zinc/07/14/75/999071475.db2.gz SIZNASSHOJSIGY-ZETCQYMHSA-N -1 0 307.314 -0.905 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CCC(F)F ZINC001397524190 999072104 /nfs/dbraw/zinc/07/21/04/999072104.db2.gz XGILHSZAPZLULF-LURJTMIESA-N -1 0 321.284 -0.645 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)CCc2c[nH]cn2)c1[O-] ZINC001397892913 999161813 /nfs/dbraw/zinc/16/18/13/999161813.db2.gz IUIMWRALFJCVLA-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2nonc2C)c1[O-] ZINC001397895383 999162929 /nfs/dbraw/zinc/16/29/29/999162929.db2.gz WMGAYVFCKAXVTE-UHFFFAOYSA-N -1 0 308.298 -0.383 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001397987492 999189394 /nfs/dbraw/zinc/18/93/94/999189394.db2.gz LCWCDJRBXYWINM-MYJAWHEDSA-N -1 0 323.353 -0.690 20 0 DBADRM CCCNC(=O)CCCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001494483854 1016291085 /nfs/dbraw/zinc/29/10/85/1016291085.db2.gz XEVQCCHZZVJVDB-UHFFFAOYSA-N -1 0 324.385 -0.493 20 0 DBADRM Cn1cc(CCC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001494502961 1016297963 /nfs/dbraw/zinc/29/79/63/1016297963.db2.gz SCHXPQFPALGDPI-UHFFFAOYSA-N -1 0 305.342 -0.823 20 0 DBADRM CCCN(C(C)=O)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001398415117 999267902 /nfs/dbraw/zinc/26/79/02/999267902.db2.gz GICVWFLRBQDZMK-JTQLQIEISA-N -1 0 311.342 -0.451 20 0 DBADRM O=C(Cn1cccn1)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001398723660 999345645 /nfs/dbraw/zinc/34/56/45/999345645.db2.gz IXVJGKTZJOBYCM-LLVKDONJSA-N -1 0 319.369 -0.122 20 0 DBADRM COC[C@H](C)C(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001398741640 999349509 /nfs/dbraw/zinc/34/95/09/999349509.db2.gz SULCONVGDDLHPZ-QMMMGPOBSA-N -1 0 310.354 -0.106 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)[C@H]1CCC(=O)N1 ZINC001398978652 999389844 /nfs/dbraw/zinc/38/98/44/999389844.db2.gz QTNZUNBVQQGKJD-DTWKUNHWSA-N -1 0 323.353 -0.673 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CSC ZINC001399033514 999398233 /nfs/dbraw/zinc/39/82/33/999398233.db2.gz PFBXSMMIOSVLBS-ZCFIWIBFSA-N -1 0 315.355 -0.730 20 0 DBADRM CC[C@H](CNC(=O)C(C)(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001399081118 999405138 /nfs/dbraw/zinc/40/51/38/999405138.db2.gz HMFREXSHKZHABM-MRVPVSSYSA-N -1 0 313.358 -0.254 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCc2c[nH]nc2C1)Cc1n[nH]c(=O)[n-]1 ZINC001399656691 999458801 /nfs/dbraw/zinc/45/88/01/999458801.db2.gz FPHYDDUNOLKARA-SECBINFHSA-N -1 0 319.369 -0.414 20 0 DBADRM CCN(CCNC(=O)[C@H]1CC(=O)N(CC)C1)Cc1n[nH]c(=O)[n-]1 ZINC001399716019 999468722 /nfs/dbraw/zinc/46/87/22/999468722.db2.gz UQYAEHLBMMBKGD-JTQLQIEISA-N -1 0 324.385 -0.683 20 0 DBADRM CCN(CCNC(=O)[C@@]1(F)CCOC1)Cc1n[nH]c(=O)[n-]1 ZINC001399751210 999474468 /nfs/dbraw/zinc/47/44/68/999474468.db2.gz NBBPHODQBYBMSK-GFCCVEGCSA-N -1 0 301.322 -0.423 20 0 DBADRM CCNC(=O)CCC(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001399910988 999521816 /nfs/dbraw/zinc/52/18/16/999521816.db2.gz ZWAYHAAOSBMQDM-SNVBAGLBSA-N -1 0 324.385 -0.635 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@H](C)n2cncn2)c1[O-] ZINC001399941592 999530332 /nfs/dbraw/zinc/53/03/32/999530332.db2.gz PBGIIDUHRFZJAT-APPZFPTMSA-N -1 0 321.341 -0.489 20 0 DBADRM Cc1cc(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)n(C)n1 ZINC001399993092 999540153 /nfs/dbraw/zinc/54/01/53/999540153.db2.gz QVOMZTFXGQCFSX-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001400062917 999556512 /nfs/dbraw/zinc/55/65/12/999556512.db2.gz TZLGPVORDAEDDW-IMSYWVGJSA-N -1 0 323.353 -0.644 20 0 DBADRM CCCC(=O)N[C@@H](C)CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001400114235 999565570 /nfs/dbraw/zinc/56/55/70/999565570.db2.gz JKJBHQSLLYXLAL-QMMMGPOBSA-N -1 0 311.342 -0.364 20 0 DBADRM CC(C)[C@H](F)C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001400271140 999598133 /nfs/dbraw/zinc/59/81/33/999598133.db2.gz RCEYCPAVBTUSML-CBAPKCEASA-N -1 0 317.321 -0.696 20 0 DBADRM NC(=O)CCCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400301059 999603320 /nfs/dbraw/zinc/60/33/20/999603320.db2.gz UGPNLNLRURQCHV-SECBINFHSA-N -1 0 310.358 -0.754 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN([C@H](C)C(=O)NCC(C)C)C2)c1[O-] ZINC001400327166 999607229 /nfs/dbraw/zinc/60/72/29/999607229.db2.gz CVZSHHFLGCBHDI-SNVBAGLBSA-N -1 0 323.397 -0.002 20 0 DBADRM CCS(=O)(=O)CCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001597210145 1017188212 /nfs/dbraw/zinc/18/82/12/1017188212.db2.gz ZCGKITYMPFWVKG-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NCc1ccoc1C(=O)[O-] ZINC001597216067 1017190304 /nfs/dbraw/zinc/19/03/04/1017190304.db2.gz SCAOWDZAEZTVJX-UHFFFAOYSA-N -1 0 304.324 -0.125 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001597223898 1017190329 /nfs/dbraw/zinc/19/03/29/1017190329.db2.gz CALOVRSCDLHVKQ-SSDOTTSWSA-N -1 0 303.340 -0.010 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](CCF)C(=O)[O-])C1 ZINC001597221876 1017190631 /nfs/dbraw/zinc/19/06/31/1017190631.db2.gz UNEXYEIXOAPJQV-NXEZZACHSA-N -1 0 324.374 -0.023 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC001597224599 1017190703 /nfs/dbraw/zinc/19/07/03/1017190703.db2.gz ZDWULZYZQSSQNN-BBBLOLIVSA-N -1 0 322.383 -0.595 20 0 DBADRM CCS(=O)(=O)CCN1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001597209560 1017188691 /nfs/dbraw/zinc/18/86/91/1017188691.db2.gz KXBJXFZNOVCYSQ-IUCAKERBSA-N -1 0 318.351 -0.452 20 0 DBADRM CCOc1ncccc1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001597198155 1017188868 /nfs/dbraw/zinc/18/88/68/1017188868.db2.gz RFHRNXRIFCHNMU-SNVBAGLBSA-N -1 0 307.306 -0.152 20 0 DBADRM CCS(=O)(=O)CCN(C)[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001597209563 1017189064 /nfs/dbraw/zinc/18/90/64/1017189064.db2.gz KYODVCDMPWJSIF-NSHDSACASA-N -1 0 320.411 -0.181 20 0 DBADRM CCS(=O)(=O)CC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001597207300 1017189112 /nfs/dbraw/zinc/18/91/12/1017189112.db2.gz AJZHDVUJWXDODT-UHFFFAOYSA-N -1 0 321.351 -0.713 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001597207664 1017189410 /nfs/dbraw/zinc/18/94/10/1017189410.db2.gz KHVZEILPKULSKO-MRVPVSSYSA-N -1 0 315.351 -0.033 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NCc1ncc(C(=O)[O-])s1 ZINC001597215971 1017191376 /nfs/dbraw/zinc/19/13/76/1017191376.db2.gz LIRQEPULRROXIK-UHFFFAOYSA-N -1 0 321.380 -0.261 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001597224117 1017191649 /nfs/dbraw/zinc/19/16/49/1017191649.db2.gz KXMGYIIQRQUHCH-UTLUCORTSA-N -1 0 322.383 -0.547 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001597224451 1017190774 /nfs/dbraw/zinc/19/07/74/1017190774.db2.gz WKXSNUMBMKFNHD-SBMIAAHKSA-N -1 0 304.368 -0.220 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001597223861 1017190996 /nfs/dbraw/zinc/19/09/96/1017190996.db2.gz BEQRQIOXZFIRLQ-MRVPVSSYSA-N -1 0 315.351 -0.276 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC001597224608 1017191869 /nfs/dbraw/zinc/19/18/69/1017191869.db2.gz ZDWULZYZQSSQNN-UTLUCORTSA-N -1 0 322.383 -0.595 20 0 DBADRM CC[S@@](=O)CCNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001597249120 1017193186 /nfs/dbraw/zinc/19/31/86/1017193186.db2.gz GRDNIQJWLZUJPO-HXUWFJFHSA-N -1 0 307.372 -0.965 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)c1ccnc(C(=O)[O-])c1 ZINC001597225184 1017193227 /nfs/dbraw/zinc/19/32/27/1017193227.db2.gz LMIGUGLUUHIWIT-UHFFFAOYSA-N -1 0 302.308 -0.124 20 0 DBADRM CCS(=O)(=O)Nc1cccc(C(=O)N[C@H](CO)C(=O)[O-])c1 ZINC001597231770 1017193487 /nfs/dbraw/zinc/19/34/87/1017193487.db2.gz XZFHEUJKKKYWJO-SNVBAGLBSA-N -1 0 316.335 -0.377 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC001597225975 1017193535 /nfs/dbraw/zinc/19/35/35/1017193535.db2.gz ZKKVKVSKMHKLJE-RXMQYKEDSA-N -1 0 306.262 -0.553 20 0 DBADRM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001591067594 1016379342 /nfs/dbraw/zinc/37/93/42/1016379342.db2.gz FWVPDRQSSILJMU-SECBINFHSA-N -1 0 304.368 -0.220 20 0 DBADRM CN(CC1(O)CCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591050454 1016380991 /nfs/dbraw/zinc/38/09/91/1016380991.db2.gz MYRCSWRQRBXEAE-UHFFFAOYSA-N -1 0 313.339 -0.005 20 0 DBADRM CC(C)[C@@H]1C(=O)NCCN1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001591067821 1016382201 /nfs/dbraw/zinc/38/22/01/1016382201.db2.gz MIGWBOCMFOBBGQ-SNVBAGLBSA-N -1 0 324.341 -0.858 20 0 DBADRM CC(C)C[C@@H](C(N)=O)C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001591124448 1016391490 /nfs/dbraw/zinc/39/14/90/1016391490.db2.gz RSLPZGQEPVZQAO-VHSXEESVSA-N -1 0 314.338 -0.247 20 0 DBADRM CN(CCc1cccc(-c2nn[nH]n2)c1)CC(=O)NCC(=O)[O-] ZINC001591121208 1016391942 /nfs/dbraw/zinc/39/19/42/1016391942.db2.gz PCODZESUYJGNOP-UHFFFAOYSA-N -1 0 318.337 -0.458 20 0 DBADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CCS(=O)(=O)CCO1 ZINC001420694118 1000209815 /nfs/dbraw/zinc/20/98/15/1000209815.db2.gz IVPYJUGJMGHPHL-UHFFFAOYSA-N -1 0 313.291 -0.269 20 0 DBADRM Cc1cnn(CC(=O)NCCN(C)C(=O)c2n[nH]c(C)c2[O-])c1 ZINC001408531806 1000210193 /nfs/dbraw/zinc/21/01/93/1000210193.db2.gz PHRNZIVXWCDGAF-UHFFFAOYSA-N -1 0 320.353 -0.183 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCN(Cc1ccon1)C1CC1 ZINC001420703714 1000211796 /nfs/dbraw/zinc/21/17/96/1000211796.db2.gz IVJUKHLWAKOAJJ-UHFFFAOYSA-N -1 0 322.325 -0.542 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001408535996 1000212056 /nfs/dbraw/zinc/21/20/56/1000212056.db2.gz ICALWTDDALBJLG-DTWKUNHWSA-N -1 0 324.337 -0.579 20 0 DBADRM CN(c1ccn(C)n1)S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001591158087 1016395973 /nfs/dbraw/zinc/39/59/73/1016395973.db2.gz XMXGGVMOYFEZOC-UHFFFAOYSA-N -1 0 320.338 -0.180 20 0 DBADRM CC(C)C[C@H](CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C(=O)[O-] ZINC001591147065 1016396433 /nfs/dbraw/zinc/39/64/33/1016396433.db2.gz YXHMUKCRNSTOKF-DDHJBXDOSA-N -1 0 301.339 -0.738 20 0 DBADRM CC(C)C[C@H](CNC(=O)c1cnn(C[C@@H](O)CO)c1)C(=O)[O-] ZINC001591156132 1016397176 /nfs/dbraw/zinc/39/71/76/1016397176.db2.gz IYWNBVYYIFQPTK-ZYHUDNBSSA-N -1 0 313.354 -0.287 20 0 DBADRM CN1CC[C@@H](CC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)C1=O ZINC001420856671 1000269349 /nfs/dbraw/zinc/26/93/49/1000269349.db2.gz PGTVAZABYRTOHM-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM CCC1(C(=O)NCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001408680153 1000270852 /nfs/dbraw/zinc/27/08/52/1000270852.db2.gz LGJWPSNVSRCLCC-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001420881066 1000280418 /nfs/dbraw/zinc/28/04/18/1000280418.db2.gz WPFOUURLFDFZCF-KOLCDFICSA-N -1 0 319.369 -0.197 20 0 DBADRM CC(C)(C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1c[nH]cn1 ZINC001420888861 1000282242 /nfs/dbraw/zinc/28/22/42/1000282242.db2.gz SQCQYTQOIXSZOA-VIFPVBQESA-N -1 0 319.369 -0.098 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1Cc1ccns1 ZINC001420900400 1000287291 /nfs/dbraw/zinc/28/72/91/1000287291.db2.gz YUSMQMQABFTRLK-MRVPVSSYSA-N -1 0 324.366 -0.464 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@H](O)C[C@@]1(C)CO)C(=O)[O-] ZINC001591167664 1016400557 /nfs/dbraw/zinc/40/05/57/1016400557.db2.gz KLIAHSICEPSMEC-SUNKGSAMSA-N -1 0 302.371 -0.581 20 0 DBADRM CC(C)C[C@@H](CO)N(C)C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001591162919 1016401758 /nfs/dbraw/zinc/40/17/58/1016401758.db2.gz PVEAZNMCJRQENM-OUAUKWLOSA-N -1 0 300.355 -0.311 20 0 DBADRM CN1C(=O)C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1=O ZINC001591163786 1016402446 /nfs/dbraw/zinc/40/24/46/1016402446.db2.gz XBBKBZXMNKAKRV-QMMMGPOBSA-N -1 0 316.277 -0.941 20 0 DBADRM Cn1cccc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)c1=O ZINC001420994351 1000327046 /nfs/dbraw/zinc/32/70/46/1000327046.db2.gz JVCAPALNZMUXEU-UHFFFAOYSA-N -1 0 318.337 -0.739 20 0 DBADRM O=C(NCCN1CCNC1=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001421014060 1000331378 /nfs/dbraw/zinc/33/13/78/1000331378.db2.gz KJIRTGLMMCFOSZ-UHFFFAOYSA-N -1 0 317.305 -0.215 20 0 DBADRM CCCC(=O)NCC(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001409041872 1000339180 /nfs/dbraw/zinc/33/91/80/1000339180.db2.gz FGJYFZNDBVAWGQ-UHFFFAOYSA-N -1 0 323.353 -0.719 20 0 DBADRM CC(F)(F)CC(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001409104570 1000364489 /nfs/dbraw/zinc/36/44/89/1000364489.db2.gz WFJRNXGRQSXOPB-UHFFFAOYSA-N -1 0 317.252 -0.731 20 0 DBADRM CCN(CC)C(=O)CN1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001421128029 1000377757 /nfs/dbraw/zinc/37/77/57/1000377757.db2.gz OFORKRIYJRTDPH-UHFFFAOYSA-N -1 0 323.397 -0.046 20 0 DBADRM CC(C)C[C@@H](NC(=O)Cn1cnc2c(c1=O)COCC2)C(=O)[O-] ZINC001591177698 1016409440 /nfs/dbraw/zinc/40/94/40/1016409440.db2.gz HYYHBHWSIVDPGM-GFCCVEGCSA-N -1 0 323.349 -0.069 20 0 DBADRM C[C@H](CC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC001421171564 1000393386 /nfs/dbraw/zinc/39/33/86/1000393386.db2.gz NKRVLVLDZWWXLB-SNVBAGLBSA-N -1 0 319.369 -0.094 20 0 DBADRM CCC(=O)NCC(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421188936 1000399805 /nfs/dbraw/zinc/39/98/05/1000399805.db2.gz XVSKCJXUTJGXFA-CYBMUJFWSA-N -1 0 310.358 -0.883 20 0 DBADRM CC[C@H](CNC(=O)C(F)F)NC(=O)c1cnc([O-])n(C)c1=O ZINC001409217458 1000400331 /nfs/dbraw/zinc/40/03/31/1000400331.db2.gz DOFDQFDMEBGDQC-ZCFIWIBFSA-N -1 0 318.280 -0.624 20 0 DBADRM Cc1nnc(CC(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001421196848 1000403919 /nfs/dbraw/zinc/40/39/19/1000403919.db2.gz XJFPMSUFMHKRPY-CYBMUJFWSA-N -1 0 321.341 -0.475 20 0 DBADRM CC[C@H](CNC(=O)[C@@H](C)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001409252565 1000410911 /nfs/dbraw/zinc/41/09/11/1000410911.db2.gz PGJJXZHCZKZTQU-IONNQARKSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@@H](CNC(=O)C1CC(C)C1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001409254850 1000411059 /nfs/dbraw/zinc/41/10/59/1000411059.db2.gz KCWFHYKRHMAYHC-HACHORDNSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@H](CNC(=O)C1=CCCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001409254988 1000411272 /nfs/dbraw/zinc/41/12/72/1000411272.db2.gz MNXRPCZOTLTSOZ-SNVBAGLBSA-N -1 0 323.353 -0.189 20 0 DBADRM CCN(C(=O)[C@H](C)NC(C)=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421355584 1000461361 /nfs/dbraw/zinc/46/13/61/1000461361.db2.gz QMHSXEOJFSOFIG-GXSJLCMTSA-N -1 0 324.385 -0.542 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001409608037 1000484885 /nfs/dbraw/zinc/48/48/85/1000484885.db2.gz HFXCSCYKDBRVAC-ZETCQYMHSA-N -1 0 321.341 -0.435 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C/C=C\Cl ZINC001409659321 1000500676 /nfs/dbraw/zinc/50/06/76/1000500676.db2.gz RAOWMUYIAKVVRN-TUUFMJSCSA-N -1 0 303.750 -0.122 20 0 DBADRM O=C(Cc1ccccc1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421456307 1000516065 /nfs/dbraw/zinc/51/60/65/1000516065.db2.gz KOULTURQVVKTHT-UHFFFAOYSA-N -1 0 317.349 -0.584 20 0 DBADRM O=C(CCC(F)F)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421459577 1000518944 /nfs/dbraw/zinc/51/89/44/1000518944.db2.gz TUGFBUDNDVMQFH-UHFFFAOYSA-N -1 0 305.285 -0.782 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)c2ccn(C)n2)c1[O-] ZINC001409732472 1000524457 /nfs/dbraw/zinc/52/44/57/1000524457.db2.gz XOKDXDXLDNQCQI-MRVPVSSYSA-N -1 0 320.353 -0.047 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C(C1CC1)C1CC1 ZINC001421491451 1000532222 /nfs/dbraw/zinc/53/22/22/1000532222.db2.gz DYCKPVPAYSXIKW-UHFFFAOYSA-N -1 0 321.381 -0.391 20 0 DBADRM C[C@@H](NC(=O)Cn1cccn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001409843163 1000538535 /nfs/dbraw/zinc/53/85/35/1000538535.db2.gz FAHDKDCAAHXFBU-SECBINFHSA-N -1 0 305.342 -0.657 20 0 DBADRM CN(CCN(C)C(=O)c1cnc([O-])n(C)c1=O)C(=O)CC1CC1 ZINC001409940482 1000557674 /nfs/dbraw/zinc/55/76/74/1000557674.db2.gz SCGSBHJEDLEICD-UHFFFAOYSA-N -1 0 322.365 -0.184 20 0 DBADRM CC(C)C[C@H]1C(=O)NCCN1CCc1cn(CC(=O)[O-])nn1 ZINC001591197840 1016423745 /nfs/dbraw/zinc/42/37/45/1016423745.db2.gz QQHIBNFQZKLGDJ-LBPRGKRZSA-N -1 0 309.370 -0.248 20 0 DBADRM CC(=O)N[C@H]1CCC[C@@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001410022355 1000575244 /nfs/dbraw/zinc/57/52/44/1000575244.db2.gz BGGFPYGLBOOGKS-ZJUUUORDSA-N -1 0 323.353 -0.364 20 0 DBADRM CCc1noc(NC(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)n1 ZINC001597750769 1017204990 /nfs/dbraw/zinc/20/49/90/1017204990.db2.gz JRPFOZGKGGCOES-NKWVEPMBSA-N -1 0 312.282 -0.031 20 0 DBADRM CCC(=O)NC[C@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)CCO1 ZINC001421778893 1000619342 /nfs/dbraw/zinc/61/93/42/1000619342.db2.gz OZZMSMCUBAPSTD-LBPRGKRZSA-N -1 0 319.365 -0.250 20 0 DBADRM Cc1c(C(=O)N(C)CCCN(C)Cc2n[nH]c(=O)[n-]2)nnn1C ZINC001421844275 1000643432 /nfs/dbraw/zinc/64/34/32/1000643432.db2.gz WDODOKXBORLYBG-UHFFFAOYSA-N -1 0 322.373 -0.459 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001421849061 1000646243 /nfs/dbraw/zinc/64/62/43/1000646243.db2.gz CCYWOUMSOYFLSB-SNVBAGLBSA-N -1 0 310.379 -0.111 20 0 DBADRM CC(C)C[C@@H]1C(=O)NCCN1S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001591205524 1016427929 /nfs/dbraw/zinc/42/79/29/1016427929.db2.gz JLAWNXVGSOMPPB-NXEZZACHSA-N -1 0 306.384 -0.117 20 0 DBADRM CS[C@@H](C)C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001410266460 1000701890 /nfs/dbraw/zinc/70/18/90/1000701890.db2.gz QNFODAIDDXUIKN-RQJHMYQMSA-N -1 0 317.371 -0.938 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)Cc2c[nH]cn2)c1[O-] ZINC001410298741 1000712223 /nfs/dbraw/zinc/71/22/23/1000712223.db2.gz UMXXBQNWIFOENW-SSDOTTSWSA-N -1 0 306.326 -0.376 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC(C)(C)C ZINC001410321864 1000721407 /nfs/dbraw/zinc/72/14/07/1000721407.db2.gz PAGUTBXBAWIHPZ-ZETCQYMHSA-N -1 0 311.342 -0.047 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)[C@@H](C)C(=O)N(C)C)c1[O-] ZINC001422158093 1000744012 /nfs/dbraw/zinc/74/40/12/1000744012.db2.gz YBIDEPIQTZMISE-JTQLQIEISA-N -1 0 311.386 -0.096 20 0 DBADRM Cc1c(CC(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001422170795 1000751397 /nfs/dbraw/zinc/75/13/97/1000751397.db2.gz UTWKURWVUPIOHW-UHFFFAOYSA-N -1 0 321.385 -0.315 20 0 DBADRM CNC(=O)NC[C@H]1CCCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001591210673 1016432968 /nfs/dbraw/zinc/43/29/68/1016432968.db2.gz YWMGXAKJAMMPEE-SECBINFHSA-N -1 0 317.357 -0.055 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@]12C[C@H]1CCC2 ZINC001410438945 1000767958 /nfs/dbraw/zinc/76/79/58/1000767958.db2.gz DDKIDUOWJKYADQ-PSQXESDUSA-N -1 0 321.337 -0.293 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]2CN(C)[C@@H](C)C(N)=O)c1[O-] ZINC001422230118 1000774245 /nfs/dbraw/zinc/77/42/45/1000774245.db2.gz GBJNBGFKEWZXLQ-UWVGGRQHSA-N -1 0 309.370 -0.166 20 0 DBADRM COC(=O)C(C)(C)N(C)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591226901 1016440392 /nfs/dbraw/zinc/44/03/92/1016440392.db2.gz OVTWPHQAYIGQHE-ZETCQYMHSA-N -1 0 322.329 -0.571 20 0 DBADRM Cc1cnc(CNC[C@H](O)CNC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001422275916 1000797723 /nfs/dbraw/zinc/79/77/23/1000797723.db2.gz FAIPEJLRZCDZSO-VIFPVBQESA-N -1 0 309.326 -0.399 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2ccc(F)cn2)c1[O-] ZINC001410587260 1000820185 /nfs/dbraw/zinc/82/01/85/1000820185.db2.gz HEYMSWPLQAKGDY-NSHDSACASA-N -1 0 323.328 -0.162 20 0 DBADRM COC(=O)[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001591235456 1016446046 /nfs/dbraw/zinc/44/60/46/1016446046.db2.gz TXDNAXUBJLLGKQ-XPUUQOCRSA-N -1 0 320.313 -0.913 20 0 DBADRM COC(=O)C1(OC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001591246849 1016446544 /nfs/dbraw/zinc/44/65/44/1016446544.db2.gz UYCZTLJKPQHOAA-LURJTMIESA-N -1 0 307.270 -0.732 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@H]1c1ccco1 ZINC001410725258 1000877910 /nfs/dbraw/zinc/87/79/10/1000877910.db2.gz LSLSCYTVRZECLA-OPRDCNLKSA-N -1 0 321.337 -0.526 20 0 DBADRM C[C@@H](CC(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccco1 ZINC001410760459 1000890612 /nfs/dbraw/zinc/89/06/12/1000890612.db2.gz YQVKPQUEXZEVLI-UWVGGRQHSA-N -1 0 323.353 -0.136 20 0 DBADRM C[C@H](CNCc1ccon1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001422526336 1000895398 /nfs/dbraw/zinc/89/53/98/1000895398.db2.gz YSNDQJUAAHLJDO-SECBINFHSA-N -1 0 324.341 -0.248 20 0 DBADRM COC(=O)[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)C ZINC001591235465 1016445261 /nfs/dbraw/zinc/44/52/61/1016445261.db2.gz UPKJMACGWJCFES-SFYZADRCSA-N -1 0 322.329 -0.667 20 0 DBADRM O=C(CCC1CC1)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001422607504 1000931812 /nfs/dbraw/zinc/93/18/12/1000931812.db2.gz UDCOIRWDLNLTMQ-UHFFFAOYSA-N -1 0 309.370 -0.247 20 0 DBADRM CC(C)CCOCCNC(=O)CN1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001591256096 1016452579 /nfs/dbraw/zinc/45/25/79/1016452579.db2.gz CLZTUXSKASQEPY-VXGBXAGGSA-N -1 0 302.371 -0.315 20 0 DBADRM CC[C@@H](F)C(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001410920445 1000959701 /nfs/dbraw/zinc/95/97/01/1000959701.db2.gz IHBGNNAHVJOEJO-SSDOTTSWSA-N -1 0 313.289 -0.686 20 0 DBADRM CC[C@H](F)C(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001410920449 1000960415 /nfs/dbraw/zinc/96/04/15/1000960415.db2.gz IHBGNNAHVJOEJO-ZETCQYMHSA-N -1 0 313.289 -0.686 20 0 DBADRM C[C@@H]1[C@H](NC(=O)CCCC(N)=O)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001410926886 1000962740 /nfs/dbraw/zinc/96/27/40/1000962740.db2.gz NDABCHCSHWTUKJ-NXEZZACHSA-N -1 0 324.385 -0.365 20 0 DBADRM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001422661803 1000964284 /nfs/dbraw/zinc/96/42/84/1000964284.db2.gz YYWFRZAZDCZWPD-WDEREUQCSA-N -1 0 323.397 -0.145 20 0 DBADRM C[C@@H](NC(=O)C[C@H]1COC(=O)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001422722451 1000983725 /nfs/dbraw/zinc/98/37/25/1000983725.db2.gz UCDWNQQTXQXGBU-RKDXNWHRSA-N -1 0 323.353 -0.600 20 0 DBADRM CO[C@H](C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001422723657 1000986762 /nfs/dbraw/zinc/98/67/62/1000986762.db2.gz QEBDZTNQKLJQTE-PELKAZGASA-N -1 0 309.370 -0.128 20 0 DBADRM C[C@@H](NC(=O)Cc1cncn1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001422751125 1000996522 /nfs/dbraw/zinc/99/65/22/1000996522.db2.gz IVMLSEQIJBHNJW-SECBINFHSA-N -1 0 319.369 -0.577 20 0 DBADRM COC(=O)CCCCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591262083 1016458395 /nfs/dbraw/zinc/45/83/95/1016458395.db2.gz KKHRBGXPEQLAFP-UHFFFAOYSA-N -1 0 323.313 -0.579 20 0 DBADRM O=C(Cc1cnoc1)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001422836933 1001027247 /nfs/dbraw/zinc/02/72/47/1001027247.db2.gz ZLNLIAHWIYWYKX-RTCCRHLQSA-N -1 0 318.337 -0.465 20 0 DBADRM CC1CC(C(=O)N(C)C[C@@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001411166238 1001051835 /nfs/dbraw/zinc/05/18/35/1001051835.db2.gz VSFPNLQQGRDOMZ-ILDUYXDCSA-N -1 0 311.386 -0.193 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CNCc2nnnn2C)C2CC2)c1[O-] ZINC001422980183 1001077278 /nfs/dbraw/zinc/07/72/78/1001077278.db2.gz VFNZSQNZHGEFMD-VIFPVBQESA-N -1 0 320.357 -0.755 20 0 DBADRM COC(=O)[C@@H](C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591275896 1016466139 /nfs/dbraw/zinc/46/61/39/1016466139.db2.gz CLVUTKBFXPUJFZ-ZCFIWIBFSA-N -1 0 315.311 -0.358 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001591281771 1016467656 /nfs/dbraw/zinc/46/76/56/1016467656.db2.gz CFGWUFLTZXJXDK-VXNVDRBHSA-N -1 0 305.298 -0.931 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591276759 1016468261 /nfs/dbraw/zinc/46/82/61/1016468261.db2.gz OHFLRWNNUOIRBU-QMMMGPOBSA-N -1 0 309.257 -0.187 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c2ncnn21 ZINC001411481729 1001134281 /nfs/dbraw/zinc/13/42/81/1001134281.db2.gz SRRIWSRKXQJZBT-IONNQARKSA-N -1 0 314.309 -0.515 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCCc1ccc(-c2nn[nH]n2)cc1 ZINC001591315773 1016473602 /nfs/dbraw/zinc/47/36/02/1016473602.db2.gz ILIAOZYECLKCCB-SNVBAGLBSA-N -1 0 305.294 -0.375 20 0 DBADRM COC(=O)c1ccc(CCNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001411619285 1001178436 /nfs/dbraw/zinc/17/84/36/1001178436.db2.gz VJPFNVUKNHDRJU-UHFFFAOYSA-N -1 0 320.305 -0.165 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C1CC(F)(F)C1 ZINC001423226484 1001189065 /nfs/dbraw/zinc/18/90/65/1001189065.db2.gz XJQDZWJIBIPWDY-ZETCQYMHSA-N -1 0 305.285 -0.878 20 0 DBADRM CC/C=C(/C)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001494890319 1016470478 /nfs/dbraw/zinc/47/04/78/1016470478.db2.gz DQCGLVNKVBACFE-GRKOMRHMSA-N -1 0 309.326 -0.126 20 0 DBADRM COC(=O)c1cc(Cn2cncc(-c3nnn[n-]3)c2=O)on1 ZINC001591289135 1016471115 /nfs/dbraw/zinc/47/11/15/1016471115.db2.gz PZYOTQYEABLHIP-UHFFFAOYSA-N -1 0 303.238 -0.754 20 0 DBADRM CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)[C@H]1CCCCNC1=O ZINC001411704171 1001202097 /nfs/dbraw/zinc/20/20/97/1001202097.db2.gz HEPFYEBCGAPANW-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001591314497 1016474486 /nfs/dbraw/zinc/47/44/86/1016474486.db2.gz BQIDGTZSVFITNU-VIFPVBQESA-N -1 0 309.257 -0.278 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)CCCc2nnn[n-]2)n1 ZINC001411734148 1001209757 /nfs/dbraw/zinc/20/97/57/1001209757.db2.gz OYHOZLRFDHOVOJ-UHFFFAOYSA-N -1 0 306.330 -0.554 20 0 DBADRM COC(C)(C)CN(C)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591316497 1016474682 /nfs/dbraw/zinc/47/46/82/1016474682.db2.gz KTQDOZJBKQCOIV-MRVPVSSYSA-N -1 0 308.346 -0.097 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001591314468 1016475411 /nfs/dbraw/zinc/47/54/11/1016475411.db2.gz BIBDKTQXJBOCEP-SNVBAGLBSA-N -1 0 303.278 -0.192 20 0 DBADRM Cc1cc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)ccn1 ZINC001423283497 1001230282 /nfs/dbraw/zinc/23/02/82/1001230282.db2.gz FEKZDCINSYVTID-SNVBAGLBSA-N -1 0 306.326 -0.906 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)c3c[n-]ncc3=O)C2=O)cn1 ZINC001411801141 1001231033 /nfs/dbraw/zinc/23/10/33/1001231033.db2.gz AATGAAAFRGSLJG-SNVBAGLBSA-N -1 0 302.294 -0.549 20 0 DBADRM COc1ccc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC001423287829 1001231772 /nfs/dbraw/zinc/23/17/72/1001231772.db2.gz FEEOVVNIWOICPE-UHFFFAOYSA-N -1 0 319.325 -0.639 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CC1(C)OCCO1 ZINC001411822422 1001233338 /nfs/dbraw/zinc/23/33/38/1001233338.db2.gz QVOOTRNOFYTREH-QMMMGPOBSA-N -1 0 300.315 -0.405 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H](C(F)(F)F)O1 ZINC001411837171 1001234187 /nfs/dbraw/zinc/23/41/87/1001234187.db2.gz OELCTVLPLZTJAH-WDSKDSINSA-N -1 0 310.232 -0.133 20 0 DBADRM O=C(N[C@H]1CCCC[C@@H]1N1CCOCC1)c1n[nH]c(=O)[n-]c1=O ZINC001411886740 1001241430 /nfs/dbraw/zinc/24/14/30/1001241430.db2.gz FKCHWHWUKSPYBM-UWVGGRQHSA-N -1 0 323.353 -0.344 20 0 DBADRM COc1cccc([C@@H](O)CNC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001411900561 1001244405 /nfs/dbraw/zinc/24/44/05/1001244405.db2.gz PLDUXVBKWJMHIQ-JTQLQIEISA-N -1 0 308.294 -0.452 20 0 DBADRM COC[C@@](C)(NC(=O)c1c[n-]n2c1nccc2=O)C(=O)OC ZINC001411899655 1001245006 /nfs/dbraw/zinc/24/50/06/1001245006.db2.gz INFCOWWQAUREOR-CYBMUJFWSA-N -1 0 308.294 -0.670 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001411912188 1001248835 /nfs/dbraw/zinc/24/88/35/1001248835.db2.gz UKOCRXZVVOQOAV-CABZTGNLSA-N -1 0 318.337 -0.703 20 0 DBADRM O=C(Cc1cccc(F)c1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001423317026 1001253046 /nfs/dbraw/zinc/25/30/46/1001253046.db2.gz OIHMQOKRMREQEC-NSHDSACASA-N -1 0 323.328 -0.541 20 0 DBADRM CO[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)CC(C)C ZINC001591331539 1016480978 /nfs/dbraw/zinc/48/09/78/1016480978.db2.gz QBSBBRORVQVTFB-SECBINFHSA-N -1 0 308.346 -0.365 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]c1nn(C)c(C)c1-c1nn[nH]n1 ZINC001591324490 1016479913 /nfs/dbraw/zinc/47/99/13/1016479913.db2.gz NUDBIKFCSYHVJW-LURJTMIESA-N -1 0 315.359 -0.315 20 0 DBADRM COC(=O)[C@]1(NC(=O)c2c[n-]n3c2nccc3=O)CCSC1 ZINC001412007117 1001275463 /nfs/dbraw/zinc/27/54/63/1001275463.db2.gz PUIRYRUBGBEIPI-ZDUSSCGKSA-N -1 0 322.346 -0.199 20 0 DBADRM CN(C(=O)CCc1nccn1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423395191 1001279528 /nfs/dbraw/zinc/27/95/28/1001279528.db2.gz CMSKVRVWBSTGPH-UHFFFAOYSA-N -1 0 319.369 -0.481 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001412022606 1001280584 /nfs/dbraw/zinc/28/05/84/1001280584.db2.gz CKPYYAZADUYVSE-VIFPVBQESA-N -1 0 309.363 -0.998 20 0 DBADRM CN(C)c1cccnc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001412023663 1001280348 /nfs/dbraw/zinc/28/03/48/1001280348.db2.gz DLXRVEBSDVBDBL-UHFFFAOYSA-N -1 0 314.367 -0.657 20 0 DBADRM CN(CC1(O)CCOCC1)C(=O)c1c[n-]n2c1nccc2=O ZINC001412022835 1001281013 /nfs/dbraw/zinc/28/10/13/1001281013.db2.gz XFYMRPJWJSCAJA-UHFFFAOYSA-N -1 0 306.322 -0.364 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)COCC1CCCC1 ZINC001412028598 1001282619 /nfs/dbraw/zinc/28/26/19/1001282619.db2.gz NFPGMIKGYDKMMO-UHFFFAOYSA-N -1 0 306.384 -0.225 20 0 DBADRM COC(=O)C[C@]1(NC(=O)CCCc2nnn[n-]2)CCCOC1 ZINC001412041245 1001285666 /nfs/dbraw/zinc/28/56/66/1001285666.db2.gz HTKXHHKEOXDHMX-CYBMUJFWSA-N -1 0 311.342 -0.249 20 0 DBADRM O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001412060780 1001292413 /nfs/dbraw/zinc/29/24/13/1001292413.db2.gz TWEVNIZEKMMUHT-UWVGGRQHSA-N -1 0 313.383 -0.270 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)C[C@H]1C ZINC001412059748 1001292603 /nfs/dbraw/zinc/29/26/03/1001292603.db2.gz RBXRBPMKKSFJCN-GWOFURMSSA-N -1 0 323.353 -0.128 20 0 DBADRM C[C@H](Cc1c[nH]cn1)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423424220 1001292901 /nfs/dbraw/zinc/29/29/01/1001292901.db2.gz DPOQKSPLRKWRQH-SECBINFHSA-N -1 0 319.369 -0.245 20 0 DBADRM CN1C(=O)COc2cc(NC(=O)Cn3c(=O)[n-][nH]c3=O)ccc21 ZINC001412064846 1001293190 /nfs/dbraw/zinc/29/31/90/1001293190.db2.gz KGWQTLLGGOWNGM-UHFFFAOYSA-N -1 0 319.277 -0.317 20 0 DBADRM C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ncnn1C ZINC001412082083 1001297143 /nfs/dbraw/zinc/29/71/43/1001297143.db2.gz FQENSZYFOPDYBJ-ZETCQYMHSA-N -1 0 302.298 -0.923 20 0 DBADRM Cc1cnn(CCC(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001423447414 1001309488 /nfs/dbraw/zinc/30/94/88/1001309488.db2.gz NJRZQUCIBOTQLP-UHFFFAOYSA-N -1 0 319.369 -0.252 20 0 DBADRM CO[C@H]1CC[C@@H]1N(C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591353880 1016485746 /nfs/dbraw/zinc/48/57/46/1016485746.db2.gz MFWFSFTWWBWZOV-IUCAKERBSA-N -1 0 321.345 -0.723 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)c1nc[n-]c(=O)c1Br ZINC001412140597 1001313174 /nfs/dbraw/zinc/31/31/74/1001313174.db2.gz TYAZLWYOQDOBAL-SCSAIBSYSA-N -1 0 303.116 -0.062 20 0 DBADRM CO[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC[C@@H]1C ZINC001591363066 1016486315 /nfs/dbraw/zinc/48/63/15/1016486315.db2.gz SHPVWQOSJRKRLA-JGVFFNPUSA-N -1 0 321.341 -0.885 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)Nn2c(=O)[n-][nH]c2=O)c2ccccc21 ZINC001412181719 1001324526 /nfs/dbraw/zinc/32/45/26/1001324526.db2.gz OWBNCCZEVJRMGH-MRVPVSSYSA-N -1 0 303.278 -0.090 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1nccc(C(F)F)n1 ZINC001412197633 1001329211 /nfs/dbraw/zinc/32/92/11/1001329211.db2.gz XOQWSKMNUROVPI-UHFFFAOYSA-N -1 0 300.225 -0.267 20 0 DBADRM CCC[C@H](O)[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001412219487 1001337138 /nfs/dbraw/zinc/33/71/38/1001337138.db2.gz JXAWNSQBAWYKAT-MNOVXSKESA-N -1 0 306.326 -0.487 20 0 DBADRM COC1(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CCC1 ZINC001591341609 1016483372 /nfs/dbraw/zinc/48/33/72/1016483372.db2.gz LYTGRNMVJCCUAE-QMMMGPOBSA-N -1 0 306.330 -0.296 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1nnn(C)c1C(F)(F)F ZINC001412294063 1001360002 /nfs/dbraw/zinc/36/00/02/1001360002.db2.gz WDIJRYDUVAPDLK-UHFFFAOYSA-N -1 0 306.204 -0.218 20 0 DBADRM CC(C)CN1CCN(CCc2cn(CC(=O)[O-])nn2)CC1=O ZINC001591365920 1016489188 /nfs/dbraw/zinc/48/91/88/1016489188.db2.gz GQLBTONAAHZAIW-UHFFFAOYSA-N -1 0 309.370 -0.295 20 0 DBADRM Nc1nnc(C2CCN(C(=O)CCCc3nnn[n-]3)CC2)o1 ZINC001412313412 1001364935 /nfs/dbraw/zinc/36/49/35/1001364935.db2.gz VKGDEVUVRCZUHM-UHFFFAOYSA-N -1 0 306.330 -0.106 20 0 DBADRM COC[C@@H](CCNC(=O)CCCn1c(=O)[n-][nH]c1=O)OC ZINC001412336753 1001370906 /nfs/dbraw/zinc/37/09/06/1001370906.db2.gz SUGOVMGTWLFKFA-SECBINFHSA-N -1 0 302.331 -0.363 20 0 DBADRM COC(=O)[C@H](C)N(C)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001412342204 1001371441 /nfs/dbraw/zinc/37/14/41/1001371441.db2.gz SWLNJILEMPCUNQ-QMMMGPOBSA-N -1 0 320.305 -0.100 20 0 DBADRM CCOC(=O)[C@@H]1CSCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412350422 1001375225 /nfs/dbraw/zinc/37/52/25/1001375225.db2.gz WEONTQHKLNNADO-ZETCQYMHSA-N -1 0 316.339 -0.804 20 0 DBADRM CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1nnn[n-]1 ZINC001412370269 1001378988 /nfs/dbraw/zinc/37/89/88/1001378988.db2.gz SVLZMXBXLGQHNK-BIIVOSGPSA-N -1 0 314.371 -0.857 20 0 DBADRM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N(C)c1nnn[n-]1 ZINC001412374827 1001379647 /nfs/dbraw/zinc/37/96/47/1001379647.db2.gz JQRGFDVIHDIFDD-UHFFFAOYSA-N -1 0 314.302 -0.429 20 0 DBADRM Cn1cncc1[C@@H](CO)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412376192 1001380157 /nfs/dbraw/zinc/38/01/57/1001380157.db2.gz OACNYIIPKBVWNK-MRVPVSSYSA-N -1 0 310.314 -0.947 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001412387381 1001383999 /nfs/dbraw/zinc/38/39/99/1001383999.db2.gz GIBZWJNAJKACEB-UHFFFAOYSA-N -1 0 316.387 -0.937 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CCC(=O)N(C)C ZINC001423598665 1001388449 /nfs/dbraw/zinc/38/84/49/1001388449.db2.gz LLBTWQGRXGQRBA-UHFFFAOYSA-N -1 0 304.324 -0.177 20 0 DBADRM COCCN(CCNC(=O)c1cnn(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001423621009 1001392075 /nfs/dbraw/zinc/39/20/75/1001392075.db2.gz MXQDNXOIULDWRF-UHFFFAOYSA-N -1 0 323.357 -0.878 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)cn1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC001412419108 1001395248 /nfs/dbraw/zinc/39/52/48/1001395248.db2.gz PNVDAJDSNMNZEJ-ZJUUUORDSA-N -1 0 313.321 -0.245 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001412434104 1001400753 /nfs/dbraw/zinc/40/07/53/1001400753.db2.gz TYQVSDCEFODSJV-GMTAPVOTSA-N -1 0 311.342 -0.459 20 0 DBADRM O=C(c1cnn2c1CCCC2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001412434196 1001401709 /nfs/dbraw/zinc/40/17/09/1001401709.db2.gz UXXTZBKHULKPLP-LLVKDONJSA-N -1 0 303.326 -0.054 20 0 DBADRM O=C(N[C@H]1Cc2ccccc2NC1=O)c1n[nH]c(=O)[n-]c1=O ZINC001412447012 1001405275 /nfs/dbraw/zinc/40/52/75/1001405275.db2.gz PGZUWRZVYZCWJK-QMMMGPOBSA-N -1 0 301.262 -0.424 20 0 DBADRM CO[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001591357853 1016486943 /nfs/dbraw/zinc/48/69/43/1016486943.db2.gz IZFJVOISJBLHLT-YUMQZZPRSA-N -1 0 321.341 -0.743 20 0 DBADRM CN1C(=O)c2ccccc2[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001412457711 1001410595 /nfs/dbraw/zinc/41/05/95/1001410595.db2.gz VDIRSOGTWXSHKZ-SECBINFHSA-N -1 0 315.289 -0.161 20 0 DBADRM O=C(c1cnc2c(c1)NC(=O)CO2)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001412488580 1001424498 /nfs/dbraw/zinc/42/44/98/1001424498.db2.gz KQSFNFIPUKESFA-SSDOTTSWSA-N -1 0 315.293 -0.445 20 0 DBADRM O=C(COCc1cc[nH]c(=O)c1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001412493586 1001425408 /nfs/dbraw/zinc/42/54/08/1001425408.db2.gz WDLZXQAAEHXPLT-JTQLQIEISA-N -1 0 304.310 -0.167 20 0 DBADRM C[C@@H](C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC001423766347 1001426304 /nfs/dbraw/zinc/42/63/04/1001426304.db2.gz WITZILJNUAFZMH-MEBBXXQBSA-N -1 0 323.397 -0.001 20 0 DBADRM CC(C)CNC(=O)CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001591369639 1016493694 /nfs/dbraw/zinc/49/36/94/1016493694.db2.gz UTFJMRDAWHFPFX-OAHLLOKOSA-N -1 0 313.398 -0.380 20 0 DBADRM COCC(C)(C)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591369324 1016494291 /nfs/dbraw/zinc/49/42/91/1016494291.db2.gz LEIPTLPXBCRJIA-UHFFFAOYSA-N -1 0 309.330 -0.250 20 0 DBADRM COc1c[nH]c(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1=O ZINC001412538782 1001441549 /nfs/dbraw/zinc/44/15/49/1001441549.db2.gz XZYOJDGIHGYIFS-JTQLQIEISA-N -1 0 306.282 -0.890 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC2(CC2)C1 ZINC001423806463 1001443245 /nfs/dbraw/zinc/44/32/45/1001443245.db2.gz ZUVQBJDSIQRVTH-HNNXBMFYSA-N -1 0 321.381 -0.247 20 0 DBADRM Cc1ccn(C)c1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423825125 1001449248 /nfs/dbraw/zinc/44/92/48/1001449248.db2.gz YAXTUPCGLUZTAD-UHFFFAOYSA-N -1 0 320.353 -0.866 20 0 DBADRM C[C@H](CN(C)C(=O)C1(C)CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412568012 1001453045 /nfs/dbraw/zinc/45/30/45/1001453045.db2.gz YWQALGSVQSZEQF-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM Cn1ccc(N2CCC[C@@H](NC(=O)CCc3nnn[n-]3)C2=O)n1 ZINC001412586305 1001469037 /nfs/dbraw/zinc/46/90/37/1001469037.db2.gz BLQGCAKSSQLOEJ-SECBINFHSA-N -1 0 318.341 -0.822 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)OC ZINC001423839807 1001469209 /nfs/dbraw/zinc/46/92/09/1001469209.db2.gz ATVHRUSYURQCMD-QMMMGPOBSA-N -1 0 314.385 -0.729 20 0 DBADRM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)CCc1nnn[n-]1)CC2 ZINC001412589738 1001471619 /nfs/dbraw/zinc/47/16/19/1001471619.db2.gz IPUIMQQPUDYLLE-WDEREUQCSA-N -1 0 309.370 -0.089 20 0 DBADRM COC[C@@H](NC(=O)c1cncc(N2CCCC2)n1)c1nnn[n-]1 ZINC001412604628 1001487754 /nfs/dbraw/zinc/48/77/54/1001487754.db2.gz JBVYIRQFYSJRFS-SNVBAGLBSA-N -1 0 318.341 -0.293 20 0 DBADRM Cn1cnnc1COCC(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001412612544 1001493298 /nfs/dbraw/zinc/49/32/98/1001493298.db2.gz PHAPUENRHSEYRT-SNVBAGLBSA-N -1 0 320.357 -0.674 20 0 DBADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CC2(C1)C[C@H](O)CNC2=O ZINC001412618646 1001499277 /nfs/dbraw/zinc/49/92/77/1001499277.db2.gz UYZJYDMCLPIYOQ-ZETCQYMHSA-N -1 0 318.289 -0.749 20 0 DBADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001412618589 1001499438 /nfs/dbraw/zinc/49/94/38/1001499438.db2.gz UYZJYDMCLPIYOQ-SSDOTTSWSA-N -1 0 318.289 -0.749 20 0 DBADRM COC[C@@H](NC(=O)[C@H](O)Cc1cccc(OC)c1)c1nnn[n-]1 ZINC001412616410 1001500038 /nfs/dbraw/zinc/50/00/38/1001500038.db2.gz YFYGOUTXOYAJDY-VXGBXAGGSA-N -1 0 321.337 -0.384 20 0 DBADRM CC(C)N1C(=O)CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1(C)C ZINC001412620599 1001503843 /nfs/dbraw/zinc/50/38/43/1001503843.db2.gz NVHRIMXOMPURGV-UHFFFAOYSA-N -1 0 309.326 -0.246 20 0 DBADRM COCC1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCCC1 ZINC001591385790 1016501047 /nfs/dbraw/zinc/50/10/47/1016501047.db2.gz LBGKFHIIOMTCDX-UHFFFAOYSA-N -1 0 320.357 -0.219 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H](CO)C[C@@H]1CCCO1 ZINC001412630013 1001515726 /nfs/dbraw/zinc/51/57/26/1001515726.db2.gz SVPHIKUGLIDWLC-UWVGGRQHSA-N -1 0 314.342 -0.484 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001412633201 1001515772 /nfs/dbraw/zinc/51/57/72/1001515772.db2.gz GXLFAZARPUGUSC-ZETCQYMHSA-N -1 0 300.340 -0.659 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001412633198 1001515952 /nfs/dbraw/zinc/51/59/52/1001515952.db2.gz GXLFAZARPUGUSC-SSDOTTSWSA-N -1 0 300.340 -0.659 20 0 DBADRM COCC1(COC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001591389691 1016501509 /nfs/dbraw/zinc/50/15/09/1016501509.db2.gz SEVKHENIVDIBOR-QMMMGPOBSA-N -1 0 307.314 -0.011 20 0 DBADRM CO[C@]1(CNC(=O)c2cc(=O)n(C)[n-]2)CCS(=O)(=O)C1 ZINC001412640362 1001517734 /nfs/dbraw/zinc/51/77/34/1001517734.db2.gz IOWKPLAYHOEJNJ-NSHDSACASA-N -1 0 303.340 -0.941 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001423913345 1001524131 /nfs/dbraw/zinc/52/41/31/1001524131.db2.gz USGOYFOXRGRERZ-FZHDAFOHSA-N -1 0 322.365 -0.061 20 0 DBADRM COc1ncc(C(=O)N[C@H](C)[C@H](C)NC(=O)c2cn[nH]n2)cn1 ZINC001423939742 1001530621 /nfs/dbraw/zinc/53/06/21/1001530621.db2.gz IKXDLAHMENPQIO-SFYZADRCSA-N -1 0 319.325 -0.460 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nn1nnc2c1CCCC2 ZINC001412698127 1001535045 /nfs/dbraw/zinc/53/50/45/1001535045.db2.gz WSISZKVNPSFHLW-UHFFFAOYSA-N -1 0 314.309 -0.688 20 0 DBADRM COCC1(C(=O)NCCN=c2cc[nH]c(-c3nnn[n-]3)n2)CC1 ZINC001591385598 1016503160 /nfs/dbraw/zinc/50/31/60/1016503160.db2.gz HRZLGIWREFAHGW-UHFFFAOYSA-N -1 0 318.341 -0.967 20 0 DBADRM C[C@@]1(NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CCNC1=O ZINC001412711103 1001537827 /nfs/dbraw/zinc/53/78/27/1001537827.db2.gz ULTLGUUBJTZUMJ-CQSZACIVSA-N -1 0 317.305 -0.725 20 0 DBADRM Cn1nccc1[C@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCO1 ZINC001412718758 1001540385 /nfs/dbraw/zinc/54/03/85/1001540385.db2.gz BYTAXRUTLQOYLS-SECBINFHSA-N -1 0 324.366 -0.064 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001424006132 1001545087 /nfs/dbraw/zinc/54/50/87/1001545087.db2.gz HKHVPBONLDFCPO-BHDSKKPTSA-N -1 0 309.370 -0.391 20 0 DBADRM COCCC(C)(C)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001591397572 1016504766 /nfs/dbraw/zinc/50/47/66/1016504766.db2.gz IOXNTFKVZJHYIB-UHFFFAOYSA-N -1 0 308.346 -0.363 20 0 DBADRM COC[C@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C(=O)OC ZINC001412747534 1001555928 /nfs/dbraw/zinc/55/59/28/1001555928.db2.gz HWULKLTVXXBAHC-NSHDSACASA-N -1 0 313.354 -0.321 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001412755771 1001560315 /nfs/dbraw/zinc/56/03/15/1001560315.db2.gz BNDYHGADHXDNON-SECBINFHSA-N -1 0 318.341 -0.587 20 0 DBADRM C[C@H](C[S@](C)=O)N(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412755339 1001560571 /nfs/dbraw/zinc/56/05/71/1001560571.db2.gz YYUPRSXTJQSZPH-CLTRCRFRSA-N -1 0 322.394 -0.086 20 0 DBADRM C[C@@H](CN(C)C(=O)C[C@@H]1CCCS(=O)(=O)C1)c1nnn[n-]1 ZINC001412790512 1001584987 /nfs/dbraw/zinc/58/49/87/1001584987.db2.gz BTGAFLAYDQYJID-UWVGGRQHSA-N -1 0 315.399 -0.024 20 0 DBADRM CC[C@](COC)([N-]S(=O)(=O)C[C@@H]1CCOC1)C(=O)OC ZINC001424161118 1001586598 /nfs/dbraw/zinc/58/65/98/1001586598.db2.gz ZQEXCWTXTBHUFM-ZYHUDNBSSA-N -1 0 309.384 -0.090 20 0 DBADRM COCCCN(C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591413209 1016509538 /nfs/dbraw/zinc/50/95/38/1016509538.db2.gz KTCSIJYYZQLZAU-UHFFFAOYSA-N -1 0 309.334 -0.864 20 0 DBADRM CNc1nc(C)cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC001412824392 1001606024 /nfs/dbraw/zinc/60/60/24/1001606024.db2.gz HPYHEKRQXHGAEU-UHFFFAOYSA-N -1 0 315.355 -0.978 20 0 DBADRM COCCCCN(C)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591410197 1016510289 /nfs/dbraw/zinc/51/02/89/1016510289.db2.gz BJFGAUVMAGUUQV-VIFPVBQESA-N -1 0 308.346 -0.096 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)[C@@H]2CCc3nncn3C2)n[n-]1 ZINC001412843572 1001616839 /nfs/dbraw/zinc/61/68/39/1001616839.db2.gz SZDGZYWJSPZFEV-ZCFIWIBFSA-N -1 0 311.327 -0.999 20 0 DBADRM COC(=O)C1CC2(C1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)CCO2 ZINC001412871477 1001629877 /nfs/dbraw/zinc/62/98/77/1001629877.db2.gz QSRPNTXMQCEXQF-LPATWVRLSA-N -1 0 310.310 -0.259 20 0 DBADRM Cc1ccn(C[C@H](C)C(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001412892753 1001638713 /nfs/dbraw/zinc/63/87/13/1001638713.db2.gz AFSRKYHVTVNBCL-JTQLQIEISA-N -1 0 319.369 -0.149 20 0 DBADRM CC(=O)N1CCC(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CC1 ZINC001412895696 1001639920 /nfs/dbraw/zinc/63/99/20/1001639920.db2.gz DSLCIDKAVOYZJY-UHFFFAOYSA-N -1 0 322.369 -0.732 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412899325 1001640875 /nfs/dbraw/zinc/64/08/75/1001640875.db2.gz VYUXTKSRBWZPQR-OTYXRUKQSA-N -1 0 318.337 -0.655 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412899330 1001641188 /nfs/dbraw/zinc/64/11/88/1001641188.db2.gz VYUXTKSRBWZPQR-XPTSAGLGSA-N -1 0 318.337 -0.655 20 0 DBADRM CO[C@@H]1CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)C[C@H]1O ZINC001412958508 1001666317 /nfs/dbraw/zinc/66/63/17/1001666317.db2.gz WYSMGAGVHUYDOA-RKDXNWHRSA-N -1 0 320.305 -0.424 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCN(c2ncns2)CC1 ZINC001412991772 1001676725 /nfs/dbraw/zinc/67/67/25/1001676725.db2.gz ZZJDIUIBOHVINK-UHFFFAOYSA-N -1 0 308.371 -0.277 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2cnc[nH]c2=O)[C@H]1C ZINC001413037300 1001689199 /nfs/dbraw/zinc/68/91/99/1001689199.db2.gz OYYNSFREDBTAIA-KWQFWETISA-N -1 0 321.337 -0.963 20 0 DBADRM Cc1ncccc1NC(=O)[C@H](C)NC(=O)CCc1nnn[n-]1 ZINC001413046926 1001690732 /nfs/dbraw/zinc/69/07/32/1001690732.db2.gz UKJDTVCQVMAPCR-VIFPVBQESA-N -1 0 303.326 -0.021 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@H](C)S1(=O)=O ZINC001413045757 1001690814 /nfs/dbraw/zinc/69/08/14/1001690814.db2.gz COJLWWXWXBUHRT-DTORHVGOSA-N -1 0 324.362 -0.330 20 0 DBADRM CC(C)N1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1=O ZINC001413047749 1001690865 /nfs/dbraw/zinc/69/08/65/1001690865.db2.gz IIYRESVPFPWILK-UHFFFAOYSA-N -1 0 311.342 -0.451 20 0 DBADRM COCCCCN(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001591412082 1016512962 /nfs/dbraw/zinc/51/29/62/1016512962.db2.gz XSIDSADOHFJVSL-UHFFFAOYSA-N -1 0 323.357 -0.873 20 0 DBADRM COCCC(C)(C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591397775 1016513669 /nfs/dbraw/zinc/51/36/69/1016513669.db2.gz CYNOCTHSRHIYNU-QMMMGPOBSA-N -1 0 308.346 -0.050 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@H](n2ccnn2)C1 ZINC001413139823 1001702995 /nfs/dbraw/zinc/70/29/95/1001702995.db2.gz PLIWORQOSVNHSG-JTQLQIEISA-N -1 0 321.341 -0.075 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001413144164 1001703466 /nfs/dbraw/zinc/70/34/66/1001703466.db2.gz LRVFHBOGGHSIFK-UHFFFAOYSA-N -1 0 311.323 -0.993 20 0 DBADRM CCOCC(=O)N(C)C[C@H](O)CNC(=O)c1ncccc1O ZINC001413200017 1001715171 /nfs/dbraw/zinc/71/51/71/1001715171.db2.gz DAPXDNCIMROZBW-SNVBAGLBSA-N -1 0 311.338 -0.627 20 0 DBADRM CC(C)C[C@@H]1C[C@H]1NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001591444664 1016525099 /nfs/dbraw/zinc/52/50/99/1016525099.db2.gz MJYGUJGVDVRMPX-WRWGMCAJSA-N -1 0 312.366 -0.169 20 0 DBADRM CC(=O)NC[C@H]1C[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001424735846 1001766205 /nfs/dbraw/zinc/76/62/05/1001766205.db2.gz YDLQPSXYMOFELE-KYZUINATSA-N -1 0 309.326 -0.754 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001413243234 1001769035 /nfs/dbraw/zinc/76/90/35/1001769035.db2.gz HPFYEFQQKCAORY-VIFPVBQESA-N -1 0 300.315 -0.657 20 0 DBADRM O=C1NCCCC[C@@H]1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001413274192 1001800164 /nfs/dbraw/zinc/80/01/64/1001800164.db2.gz FKOQGHVDZZICJK-VIFPVBQESA-N -1 0 309.413 -0.249 20 0 DBADRM COC(=O)C1(S(=O)(=O)N[C@H]2CCCCNC2=O)CCC1 ZINC001413278186 1001800724 /nfs/dbraw/zinc/80/07/24/1001800724.db2.gz PWHWFXBHGBOZRJ-VIFPVBQESA-N -1 0 304.368 -0.330 20 0 DBADRM Cc1conc1CN[C@H](C)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001424838277 1001805677 /nfs/dbraw/zinc/80/56/77/1001805677.db2.gz OSPPOORTYUFFDQ-BDAKNGLRSA-N -1 0 324.341 -0.331 20 0 DBADRM CSCC[C@H](NC(=O)CS(=O)(=O)N(C)C)c1nnn[n-]1 ZINC001413295388 1001806236 /nfs/dbraw/zinc/80/62/36/1001806236.db2.gz DFUGKZHBFYWNOB-ZETCQYMHSA-N -1 0 322.416 -0.999 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1ncn(C)n1 ZINC001413303235 1001807711 /nfs/dbraw/zinc/80/77/11/1001807711.db2.gz AFGLXBDHCXLDQQ-UHFFFAOYSA-N -1 0 300.296 -0.327 20 0 DBADRM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)N=S(C)(C)=O ZINC001413302928 1001807954 /nfs/dbraw/zinc/80/79/54/1001807954.db2.gz SVWNGTQYRFZTIN-VIFPVBQESA-N -1 0 316.401 -0.483 20 0 DBADRM C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)C(N)=O ZINC001413321364 1001813680 /nfs/dbraw/zinc/81/36/80/1001813680.db2.gz YMUNWVLFFZVJDS-DCXZOGHSSA-N -1 0 305.381 -0.149 20 0 DBADRM CN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H](CO)C1 ZINC001413325622 1001815104 /nfs/dbraw/zinc/81/51/04/1001815104.db2.gz ITZXQKBAYYBSIN-VIFPVBQESA-N -1 0 319.321 -0.816 20 0 DBADRM CN(C(=O)c1ccc(S(N)(=O)=O)cc1F)c1nnn[n-]1 ZINC001413328091 1001815518 /nfs/dbraw/zinc/81/55/18/1001815518.db2.gz QELIVRCTYTWWSO-UHFFFAOYSA-N -1 0 300.275 -0.737 20 0 DBADRM C[C@@H](CN(C)C(=O)C1CCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001424954165 1001817293 /nfs/dbraw/zinc/81/72/93/1001817293.db2.gz KNEHHKIAOXJINJ-VIFPVBQESA-N -1 0 322.365 -0.137 20 0 DBADRM Cc1ncc(CC(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)o1 ZINC001424958373 1001817652 /nfs/dbraw/zinc/81/76/52/1001817652.db2.gz QKTIRHCZWSBYJO-MRVPVSSYSA-N -1 0 308.342 -0.014 20 0 DBADRM C[C@@H](CN(C)C(=O)C(C)(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001424961532 1001817911 /nfs/dbraw/zinc/81/79/11/1001817911.db2.gz PSVBQOXTURPHQN-YFKPBYRVSA-N -1 0 319.268 -0.485 20 0 DBADRM CN1C[C@H](O)C[C@@]1(C)C(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001413336566 1001818458 /nfs/dbraw/zinc/81/84/58/1001818458.db2.gz YKVCPZNFXFKVQB-XUJVJEKNSA-N -1 0 316.365 -0.140 20 0 DBADRM C[C@H](CNC(=O)C[C@@H]1CCN(C)C1=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001424979710 1001820772 /nfs/dbraw/zinc/82/07/72/1001820772.db2.gz JCBPVQKKYZRHIB-ZJUUUORDSA-N -1 0 324.385 -0.685 20 0 DBADRM O=C(N[C@H]1CCC[C@@H]1O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001413346045 1001821867 /nfs/dbraw/zinc/82/18/67/1001821867.db2.gz OMRYBVLOFJRAJV-QWRGUYRKSA-N -1 0 304.306 -0.091 20 0 DBADRM C[C@@H](CNC(=O)c1cccc(=O)n1C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001425000971 1001825466 /nfs/dbraw/zinc/82/54/66/1001825466.db2.gz IKWBEGMBNLXGEC-VIFPVBQESA-N -1 0 320.353 -0.541 20 0 DBADRM COc1cc(CCC(=O)N2CCOC[C@H]2c2nnn[n-]2)on1 ZINC001413385057 1001834448 /nfs/dbraw/zinc/83/44/48/1001834448.db2.gz DPVFVXMWKZVYOW-VIFPVBQESA-N -1 0 308.298 -0.271 20 0 DBADRM O=C(c1cc2n(n1)CCC[C@H]2O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001413384714 1001834595 /nfs/dbraw/zinc/83/45/95/1001834595.db2.gz BYETWLQWRYNAFJ-GHMZBOCLSA-N -1 0 319.325 -0.563 20 0 DBADRM C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001413385661 1001834887 /nfs/dbraw/zinc/83/48/87/1001834887.db2.gz IOBXKGAVPRVLKM-ONGXEEELSA-N -1 0 304.310 -0.038 20 0 DBADRM Cc1ccsc1[C@H](CO)NS(=O)(=O)[C@@H]1COC[C@H]1O ZINC001413382462 1001834967 /nfs/dbraw/zinc/83/49/67/1001834967.db2.gz UYJBCOXEBNUADH-IVZWLZJFSA-N -1 0 307.393 -0.231 20 0 DBADRM COCCn1cc(CN2CCOCC2)cc(-c2nnn[n-]2)c1=O ZINC001591449773 1016529267 /nfs/dbraw/zinc/52/92/67/1016529267.db2.gz QTRQTVUKZKWPSW-UHFFFAOYSA-N -1 0 320.353 -0.493 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]N1CCCC1=O ZINC001413401070 1001838151 /nfs/dbraw/zinc/83/81/51/1001838151.db2.gz FMOIQEGOERPYMT-UHFFFAOYSA-N -1 0 316.339 -0.289 20 0 DBADRM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]N2CCCC2=O)cc1 ZINC001413403054 1001838708 /nfs/dbraw/zinc/83/87/08/1001838708.db2.gz RMKLNGSMVNHSPQ-UHFFFAOYSA-N -1 0 319.364 -0.850 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)NCC1N=NC(=O)N1C ZINC001413424695 1001844421 /nfs/dbraw/zinc/84/44/21/1001844421.db2.gz NPZVXBAGSNJEEI-QMMMGPOBSA-N -1 0 320.371 -0.328 20 0 DBADRM CCOC(=O)CCS(=O)(=O)[N-][C@@H](COC)C(=O)OCC ZINC001413433954 1001848274 /nfs/dbraw/zinc/84/82/74/1001848274.db2.gz FYUGDRCSTSDAMR-VIFPVBQESA-N -1 0 311.356 -0.563 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)C[C@H]1COC(=O)C1)C(=O)[O-] ZINC001591457674 1016530012 /nfs/dbraw/zinc/53/00/12/1016530012.db2.gz QSTXMRFSYKFSHM-ZJUUUORDSA-N -1 0 314.338 -0.329 20 0 DBADRM O=C(CCCn1cncn1)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001413453447 1001851256 /nfs/dbraw/zinc/85/12/56/1001851256.db2.gz KGDYZCITWCXHJH-UHFFFAOYSA-N -1 0 318.337 -0.057 20 0 DBADRM COc1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)on1 ZINC001433423067 1001851506 /nfs/dbraw/zinc/85/15/06/1001851506.db2.gz MRWTYONTAZEHKG-UHFFFAOYSA-N -1 0 308.298 -0.535 20 0 DBADRM CO[C@]1(CNS(=O)(=O)c2conc2C)CCS(=O)(=O)C1 ZINC001413449661 1001851646 /nfs/dbraw/zinc/85/16/46/1001851646.db2.gz MFQIUFALJINKKB-JTQLQIEISA-N -1 0 324.380 -0.535 20 0 DBADRM CC[C@](C)([N-]S(=O)(=O)c1occc1C(=O)OC)C(N)=O ZINC001413456408 1001852582 /nfs/dbraw/zinc/85/25/82/1001852582.db2.gz DJFYIPHSEWXNCV-NSHDSACASA-N -1 0 304.324 -0.002 20 0 DBADRM CN1CC[C@@H](CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1=O ZINC001433430960 1001853913 /nfs/dbraw/zinc/85/39/13/1001853913.db2.gz GGSMSXSQOVXVBO-JTQLQIEISA-N -1 0 322.369 -0.977 20 0 DBADRM O=C(c1cn(C[C@@H]2CCOC2)nn1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001413471343 1001857695 /nfs/dbraw/zinc/85/76/95/1001857695.db2.gz QZCQTQNHBRHOSU-VHSXEESVSA-N -1 0 318.341 -0.543 20 0 DBADRM COC(=O)C(F)(F)C[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC001413485328 1001859400 /nfs/dbraw/zinc/85/94/00/1001859400.db2.gz YKRJJBGQGPVIQM-ZCFIWIBFSA-N -1 0 302.299 -0.809 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)NC2(c3nnn[n-]3)CCC2)CC1 ZINC001413512686 1001866980 /nfs/dbraw/zinc/86/69/80/1001866980.db2.gz ZEIDBSCGSPNHEH-UHFFFAOYSA-N -1 0 313.383 -0.090 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001413522579 1001869657 /nfs/dbraw/zinc/86/96/57/1001869657.db2.gz GBJILTJYCHGCCD-BBBLOLIVSA-N -1 0 312.326 -0.610 20 0 DBADRM CCNC(=O)CN1CC([C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001425228556 1001871547 /nfs/dbraw/zinc/87/15/47/1001871547.db2.gz LBFCIHOJVACSQB-MRVPVSSYSA-N -1 0 309.370 -0.390 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)CCn1ccnn1)C(=O)[O-] ZINC001591457516 1016532539 /nfs/dbraw/zinc/53/25/39/1016532539.db2.gz KRAJGLPBHDXCAV-JTQLQIEISA-N -1 0 311.342 -0.600 20 0 DBADRM CCN(CC)C(=O)CNC(=O)CNC(=O)c1ncccc1O ZINC001413530953 1001873143 /nfs/dbraw/zinc/87/31/43/1001873143.db2.gz PAHNQFQKYOJGDT-UHFFFAOYSA-N -1 0 308.338 -0.498 20 0 DBADRM Cn1ccnc(NC(=O)N2CCC(c3nnn[n-]3)CC2)c1=O ZINC001413539583 1001873725 /nfs/dbraw/zinc/87/37/25/1001873725.db2.gz DHENMPUBOVKJNQ-UHFFFAOYSA-N -1 0 304.314 -0.295 20 0 DBADRM COC[C@H](NC(=O)CCc1nnc(C(F)F)o1)c1nnn[n-]1 ZINC001413550289 1001878272 /nfs/dbraw/zinc/87/82/72/1001878272.db2.gz DGMNTELNSNQZOK-YFKPBYRVSA-N -1 0 317.256 -0.043 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)[nH]1 ZINC001413559722 1001878904 /nfs/dbraw/zinc/87/89/04/1001878904.db2.gz KDINWVYWVHSDIW-QMMMGPOBSA-N -1 0 303.326 -0.278 20 0 DBADRM COC[C@H](NC(=O)c1coc2c1C(=O)NCCC2)c1nnn[n-]1 ZINC001413559422 1001879236 /nfs/dbraw/zinc/87/92/36/1001879236.db2.gz XVNKEKKJVNWKOR-QMMMGPOBSA-N -1 0 320.309 -0.414 20 0 DBADRM O=C(CCn1cnccc1=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001413561135 1001880827 /nfs/dbraw/zinc/88/08/27/1001880827.db2.gz NMLRJCAOEVEITQ-LLVKDONJSA-N -1 0 317.353 -0.372 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCCc2c1cnn2CCO ZINC001413568906 1001881928 /nfs/dbraw/zinc/88/19/28/1001881928.db2.gz SQOWIOZRQFMPGV-JTQLQIEISA-N -1 0 320.357 -0.497 20 0 DBADRM NC1=CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)N1 ZINC001413589755 1001887129 /nfs/dbraw/zinc/88/71/29/1001887129.db2.gz NVFSUMGKYGEFOP-UHFFFAOYSA-N -1 0 318.305 -0.610 20 0 DBADRM O=C(Nc1ccc(N2CCOCC2)cn1)c1n[nH]c(=O)[n-]c1=O ZINC001433599783 1001895145 /nfs/dbraw/zinc/89/51/45/1001895145.db2.gz ATETXKOIHLJZJF-UHFFFAOYSA-N -1 0 318.293 -0.233 20 0 DBADRM CC(C)C[C@H](NC(=O)CNS(=O)(=O)NC1CC1)C(=O)[O-] ZINC001591462923 1016535673 /nfs/dbraw/zinc/53/56/73/1016535673.db2.gz SAOVXJMTLDKYRZ-VIFPVBQESA-N -1 0 307.372 -0.812 20 0 DBADRM COC[C@H]1COCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001413631770 1001895679 /nfs/dbraw/zinc/89/56/79/1001895679.db2.gz RRRJFKNOWZVBGH-VIFPVBQESA-N -1 0 320.305 -0.077 20 0 DBADRM Cc1n[nH]c(C(=O)NCCS(=O)(=O)NC(C)(C)C)c1[O-] ZINC001433606102 1001897180 /nfs/dbraw/zinc/89/71/80/1001897180.db2.gz SRJSPTQVQLQACC-UHFFFAOYSA-N -1 0 304.372 -0.129 20 0 DBADRM CCNC(=O)c1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC001433611293 1001898166 /nfs/dbraw/zinc/89/81/66/1001898166.db2.gz IDQBXWKWHCODMX-UHFFFAOYSA-N -1 0 317.305 -0.038 20 0 DBADRM COc1c(-c2nnn[n-]2)ccc(=O)n1C[C@@H](O)COC(C)C ZINC001591473651 1016541188 /nfs/dbraw/zinc/54/11/88/1016541188.db2.gz LRNOGNFWBWFXFJ-SECBINFHSA-N -1 0 309.326 -0.177 20 0 DBADRM CON(CC1CCOCC1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001591465184 1016536858 /nfs/dbraw/zinc/53/68/58/1016536858.db2.gz QAKAUPWBGTZUEK-UHFFFAOYSA-N -1 0 322.329 -0.725 20 0 DBADRM CO[C@H]1C[C@@H](COC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001591473180 1016538509 /nfs/dbraw/zinc/53/85/09/1016538509.db2.gz WNBUJBGBWBLTNR-XHNCKOQMSA-N -1 0 307.314 -0.013 20 0 DBADRM CC(C)N1C[C@H](N2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)CC1=O ZINC001591609879 1016552632 /nfs/dbraw/zinc/55/26/32/1016552632.db2.gz BIGJEOPEKNONNH-TURQNECASA-N -1 0 309.322 -0.363 20 0 DBADRM CC(C)Cn1nccc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001591532990 1016549424 /nfs/dbraw/zinc/54/94/24/1016549424.db2.gz IIYKKQIPXHPNFF-NSHDSACASA-N -1 0 308.338 -0.046 20 0 DBADRM CC(C)N(C)C(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001591550202 1016549554 /nfs/dbraw/zinc/54/95/54/1016549554.db2.gz DIEOFHRBYSSWQD-VXGBXAGGSA-N -1 0 311.382 -0.282 20 0 DBADRM CC(C)N(C)CC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001591550161 1016551278 /nfs/dbraw/zinc/55/12/78/1016551278.db2.gz BWDKEEGXXNXINO-SNVBAGLBSA-N -1 0 306.384 -0.573 20 0 DBADRM COC(=O)CC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCCC1 ZINC001413736636 1001976792 /nfs/dbraw/zinc/97/67/92/1001976792.db2.gz HDKGWOFUZUEUAM-UHFFFAOYSA-N -1 0 312.326 -0.071 20 0 DBADRM COC[C@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CCO1 ZINC001433707909 1001985453 /nfs/dbraw/zinc/98/54/53/1001985453.db2.gz BHNCZZBVMSBSJC-GFCCVEGCSA-N -1 0 318.337 -0.438 20 0 DBADRM CC(C)(O)[C@@H](O)C(=O)Nc1ccc(OCc2nnn[n-]2)cc1 ZINC001433708045 1001986878 /nfs/dbraw/zinc/98/68/78/1001986878.db2.gz LACHBKNUSBIFGE-NSHDSACASA-N -1 0 307.310 -0.151 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)Nc2nn(C)cc2C(=O)[O-])C1=O ZINC001591605452 1016552955 /nfs/dbraw/zinc/55/29/55/1016552955.db2.gz OKNJADNGVOILIO-MRVPVSSYSA-N -1 0 323.309 -0.224 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001591605456 1016553086 /nfs/dbraw/zinc/55/30/86/1016553086.db2.gz OOWSCHHAWGFNBM-VHSXEESVSA-N -1 0 311.338 -0.860 20 0 DBADRM CC(C)N(CCCNC(=O)C(N)=O)c1ccnc(C(=O)[O-])n1 ZINC001591591241 1016553816 /nfs/dbraw/zinc/55/38/16/1016553816.db2.gz QVMSNKDIZGKAFU-UHFFFAOYSA-N -1 0 309.326 -0.619 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)Nc2nn(C)cc2C(=O)[O-])C1=O ZINC001591605453 1016553964 /nfs/dbraw/zinc/55/39/64/1016553964.db2.gz OKNJADNGVOILIO-QMMMGPOBSA-N -1 0 323.309 -0.224 20 0 DBADRM CC(C)N(C[C@@H](O)CO)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001591573929 1016555036 /nfs/dbraw/zinc/55/50/36/1016555036.db2.gz VACKTGNEGRVOSC-SSDOTTSWSA-N -1 0 324.380 -0.406 20 0 DBADRM CC(C)N1CC[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1=O ZINC001591622572 1016555673 /nfs/dbraw/zinc/55/56/73/1016555673.db2.gz FVHPNGIGZMVDKY-MRVPVSSYSA-N -1 0 316.339 -0.605 20 0 DBADRM CC(C)NC(=O)[C@H](C)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001591635765 1016555899 /nfs/dbraw/zinc/55/58/99/1016555899.db2.gz QLLXMQDVIDMVQC-IVZWLZJFSA-N -1 0 301.343 -0.312 20 0 DBADRM CC(C)N1CC[C@H](N2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)C1=O ZINC001591617308 1016556347 /nfs/dbraw/zinc/55/63/47/1016556347.db2.gz AFTCSOGKUCXPKQ-IMSYWVGJSA-N -1 0 309.322 -0.363 20 0 DBADRM O=C(CCCF)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001433774089 1002024563 /nfs/dbraw/zinc/02/45/63/1002024563.db2.gz DVJDOUPNRSXYQH-QMMMGPOBSA-N -1 0 315.305 -0.844 20 0 DBADRM CC(C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001591639655 1016556499 /nfs/dbraw/zinc/55/64/99/1016556499.db2.gz GPSCTOZAMSAUBC-LURJTMIESA-N -1 0 304.328 -0.701 20 0 DBADRM CC(C)N1CCC[C@H](N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1=O ZINC001591624564 1016557177 /nfs/dbraw/zinc/55/71/77/1016557177.db2.gz PQQUFFLYNZPFAZ-WDEREUQCSA-N -1 0 318.395 -0.431 20 0 DBADRM CC(C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001591639304 1016557282 /nfs/dbraw/zinc/55/72/82/1016557282.db2.gz DMRUSGPTUNPKCN-MRVPVSSYSA-N -1 0 315.351 -0.029 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N[C@@H](C(=O)[O-])c1cccnc1 ZINC001591641359 1016558008 /nfs/dbraw/zinc/55/80/08/1016558008.db2.gz WTXIHZCPBHXPTG-CQSZACIVSA-N -1 0 322.365 -0.220 20 0 DBADRM O=C([N-]N1CN=NC1=O)c1cccc(C(=O)N2CCCC2)n1 ZINC001413843684 1002038889 /nfs/dbraw/zinc/03/88/89/1002038889.db2.gz IKQMAGOCPPWGGC-UHFFFAOYSA-N -1 0 302.294 -0.001 20 0 DBADRM CC(C)NC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001591645253 1016558923 /nfs/dbraw/zinc/55/89/23/1016558923.db2.gz QZUKGJJZMHLOGU-VXGBXAGGSA-N -1 0 311.382 -0.188 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001591661280 1016559056 /nfs/dbraw/zinc/55/90/56/1016559056.db2.gz FVXUVUQNCVHYRW-JTQLQIEISA-N -1 0 319.383 -0.213 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1n1ccnc1 ZINC001433806454 1002041799 /nfs/dbraw/zinc/04/17/99/1002041799.db2.gz KIRBMOJXLONWSO-VHSXEESVSA-N -1 0 306.326 -0.005 20 0 DBADRM CC(C)NC(=O)CN1CCC2(CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)C1 ZINC001591645171 1016559282 /nfs/dbraw/zinc/55/92/82/1016559282.db2.gz NZDYANBQNNVCHO-RYUDHWBXSA-N -1 0 323.393 -0.234 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=S)NCCCC(=O)[O-] ZINC001591661113 1016559952 /nfs/dbraw/zinc/55/99/52/1016559952.db2.gz BTGCQENQTMXVIL-UHFFFAOYSA-N -1 0 311.429 -0.357 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCOC[C@H]1c1ncon1 ZINC001433818811 1002047023 /nfs/dbraw/zinc/04/70/23/1002047023.db2.gz WONQSHKKSIRZEY-LURJTMIESA-N -1 0 312.311 -0.415 20 0 DBADRM COc1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC001591645702 1016561911 /nfs/dbraw/zinc/56/19/11/1016561911.db2.gz OUFNKKJOMIHWSE-UHFFFAOYSA-N -1 0 301.270 -0.500 20 0 DBADRM CC(C)NC(=O)OC1CN(S(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC001591657706 1016562187 /nfs/dbraw/zinc/56/21/87/1016562187.db2.gz XRGPIAAZULQLIA-QMMMGPOBSA-N -1 0 308.356 -0.144 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001591671148 1016563192 /nfs/dbraw/zinc/56/31/92/1016563192.db2.gz HWZKVNULTMNFJC-QMMMGPOBSA-N -1 0 309.355 -0.472 20 0 DBADRM CS(=O)(=O)CC1(CNc2ccnc(-c3nnn[n-]3)n2)CCC1 ZINC001591673170 1016563528 /nfs/dbraw/zinc/56/35/28/1016563528.db2.gz LPPXYPDWAZJDRK-UHFFFAOYSA-N -1 0 323.382 -0.295 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@H]1CCCc2c1cnn2CCO ZINC001433874951 1002086047 /nfs/dbraw/zinc/08/60/47/1002086047.db2.gz FGLHFFRRIUFWTB-NSHDSACASA-N -1 0 319.369 -0.095 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)[N-]N2CCCNC2=O)oc1Cl ZINC001433874843 1002087038 /nfs/dbraw/zinc/08/70/38/1002087038.db2.gz OUDQOODBCJMWDC-UHFFFAOYSA-N -1 0 322.730 -0.360 20 0 DBADRM O=C(N[C@@]1(CO)CCOC1)c1nc[n-]c(=O)c1Br ZINC001433894861 1002100488 /nfs/dbraw/zinc/10/04/88/1002100488.db2.gz ICLJDFNPPYRXGK-SNVBAGLBSA-N -1 0 318.127 -0.174 20 0 DBADRM CC(C)(O)C1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001433911363 1002108374 /nfs/dbraw/zinc/10/83/74/1002108374.db2.gz LKWOUYNRKRYITK-UHFFFAOYSA-N -1 0 302.338 -0.082 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001591676294 1016570039 /nfs/dbraw/zinc/57/00/39/1016570039.db2.gz ZPTXINQZYQDZNE-AOOOYVTPSA-N -1 0 314.338 -0.234 20 0 DBADRM Cc1cc(N2CCC(NC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)n[nH]1 ZINC001433921040 1002114741 /nfs/dbraw/zinc/11/47/41/1002114741.db2.gz DGYSPDKSIJCBCG-UHFFFAOYSA-N -1 0 321.341 -0.494 20 0 DBADRM COCCn1ccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)n1 ZINC001433926072 1002118468 /nfs/dbraw/zinc/11/84/68/1002118468.db2.gz QYFAGINWGHFNDG-SNVBAGLBSA-N -1 0 323.382 -0.027 20 0 DBADRM COCCn1ccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)n1 ZINC001433926057 1002119265 /nfs/dbraw/zinc/11/92/65/1002119265.db2.gz QYFAGINWGHFNDG-JTQLQIEISA-N -1 0 323.382 -0.027 20 0 DBADRM O=C([C@@H]1CCCn2ncnc21)N1CCSC[C@H]1c1nnn[n-]1 ZINC001433926582 1002120482 /nfs/dbraw/zinc/12/04/82/1002120482.db2.gz SQFCBABNQHSAME-BDAKNGLRSA-N -1 0 320.382 -0.015 20 0 DBADRM Cc1nc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c(=O)[nH]c1C ZINC001433929327 1002121114 /nfs/dbraw/zinc/12/11/14/1002121114.db2.gz FHBCIXNNVPNVNP-VIFPVBQESA-N -1 0 303.326 -0.080 20 0 DBADRM O=C(C1=C[S@](=O)CCC1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001433936656 1002123803 /nfs/dbraw/zinc/12/38/03/1002123803.db2.gz RHHLSFBZVSVYSB-OAQYLSRUSA-N -1 0 311.367 -0.564 20 0 DBADRM O=C([C@@H]1CCO[C@H]1C1CC1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001433935839 1002124293 /nfs/dbraw/zinc/12/42/93/1002124293.db2.gz MDTHYCCLBQESRN-MNOVXSKESA-N -1 0 307.354 -0.175 20 0 DBADRM O=C([C@@H](O)c1cccnc1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001433936351 1002125043 /nfs/dbraw/zinc/12/50/43/1002125043.db2.gz GFPFSSDWXSWXAV-JTQLQIEISA-N -1 0 304.310 -0.862 20 0 DBADRM CNC(=O)[C@]1(C)CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001433951878 1002130752 /nfs/dbraw/zinc/13/07/52/1002130752.db2.gz GEHDTHJXFPSUCW-CQSZACIVSA-N -1 0 303.322 -0.379 20 0 DBADRM C[S@@](=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591683717 1016572986 /nfs/dbraw/zinc/57/29/86/1016572986.db2.gz GRLHDQUHWWMQQX-GOSISDBHSA-N -1 0 305.341 -0.884 20 0 DBADRM COC[C@@H](CO)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001433964233 1002138163 /nfs/dbraw/zinc/13/81/63/1002138163.db2.gz HGAZILLYGFLIEM-SNVBAGLBSA-N -1 0 321.337 -0.690 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)O[C@H]3CNOC3)cc2=O)n1 ZINC001433972395 1002144165 /nfs/dbraw/zinc/14/41/65/1002144165.db2.gz ZTXOUDCAEHEVNQ-VIFPVBQESA-N -1 0 305.294 -0.367 20 0 DBADRM CS(=O)(=O)[N-]c1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001591680142 1016575670 /nfs/dbraw/zinc/57/56/70/1016575670.db2.gz VXJIAEBRVYDTAU-UHFFFAOYSA-N -1 0 320.338 -0.122 20 0 DBADRM CC1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC[S@]1=O ZINC001433992218 1002153772 /nfs/dbraw/zinc/15/37/72/1002153772.db2.gz IZAOXOYQSXRFFY-HXUWFJFHSA-N -1 0 302.356 -0.551 20 0 DBADRM CC(C)O[C@@]1(CS(=O)(=O)N[C@H](CF)C(=O)[O-])CCOC1 ZINC001591694720 1016576581 /nfs/dbraw/zinc/57/65/81/1016576581.db2.gz ANZBYPMRZUSIRI-KOLCDFICSA-N -1 0 313.347 -0.087 20 0 DBADRM CC(C)OCC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001591704816 1016577432 /nfs/dbraw/zinc/57/74/32/1016577432.db2.gz NFUYNROIPARMQU-ZJUUUORDSA-N -1 0 324.337 -0.735 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001591709938 1016577663 /nfs/dbraw/zinc/57/76/63/1016577663.db2.gz QWZROIIIZNEIQP-KXUCPTDWSA-N -1 0 302.327 -0.644 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)C1=CCS(=O)(=O)C1 ZINC001591704327 1016577716 /nfs/dbraw/zinc/57/77/16/1016577716.db2.gz FTUBPADXOFIGMV-JTQLQIEISA-N -1 0 305.352 -0.322 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)N2CC[C@H]2CO)cc1-c1nnn[n-]1 ZINC001591704717 1016577737 /nfs/dbraw/zinc/57/77/37/1016577737.db2.gz VAVAOJDSCCQTGF-LURJTMIESA-N -1 0 322.350 -0.104 20 0 DBADRM COC(=O)[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1cccnc1 ZINC001434006606 1002164853 /nfs/dbraw/zinc/16/48/53/1002164853.db2.gz LKJITBJBGNBAGE-SECBINFHSA-N -1 0 307.266 -0.885 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)CO)cc1-c1nnn[n-]1 ZINC001591702851 1016578111 /nfs/dbraw/zinc/57/81/11/1016578111.db2.gz BCPTUERQOGZTBD-YFKPBYRVSA-N -1 0 310.339 -0.200 20 0 DBADRM CSCCNC(=S)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591699839 1016578359 /nfs/dbraw/zinc/57/83/59/1016578359.db2.gz MQEBWGKMAAVPCF-UHFFFAOYSA-N -1 0 313.416 -0.715 20 0 DBADRM CSC[C@@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591697177 1016579043 /nfs/dbraw/zinc/57/90/43/1016579043.db2.gz DHRWVANQWSIFIZ-ZETCQYMHSA-N -1 0 323.382 -0.415 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001434037226 1002185821 /nfs/dbraw/zinc/18/58/21/1002185821.db2.gz FCUOZVDFMBVUPM-FUXBKTLASA-N -1 0 301.262 -0.331 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1COc2ccccc2[C@H]1O ZINC001434040475 1002185896 /nfs/dbraw/zinc/18/58/96/1002185896.db2.gz FHNXVMRIQIZPRQ-GZMMTYOYSA-N -1 0 306.278 -0.700 20 0 DBADRM COC[C@H](C)C(=O)N(C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001434052774 1002198865 /nfs/dbraw/zinc/19/88/65/1002198865.db2.gz UFSHKNRICSVHAM-QMMMGPOBSA-N -1 0 310.354 -0.011 20 0 DBADRM C[C@H]1C(=O)NCCCN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591778185 1016587225 /nfs/dbraw/zinc/58/72/25/1016587225.db2.gz HEARKLXWBODUSJ-QMMMGPOBSA-N -1 0 316.321 -0.077 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(C)(C)O ZINC001591769807 1016587702 /nfs/dbraw/zinc/58/77/02/1016587702.db2.gz DQGCMGFMQHPFPV-LURJTMIESA-N -1 0 301.328 -0.103 20 0 DBADRM Cc1[nH]nc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c1C ZINC001591793314 1016592098 /nfs/dbraw/zinc/59/20/98/1016592098.db2.gz RIGKOQSDLKTRRH-UHFFFAOYSA-N -1 0 302.302 -0.772 20 0 DBADRM CCCC(=O)N[C@H]1C[C@@H](C)N(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001425637625 1002256824 /nfs/dbraw/zinc/25/68/24/1002256824.db2.gz MIBOGTXOWBIPTL-BDAKNGLRSA-N -1 0 311.342 -0.405 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1CCn2cncc2C1 ZINC001434116548 1002271834 /nfs/dbraw/zinc/27/18/34/1002271834.db2.gz CUNQTZDDUWBOPE-VIFPVBQESA-N -1 0 306.326 -0.203 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-][C@](C)(COC)C(=O)OC)OC ZINC001414234207 1002273155 /nfs/dbraw/zinc/27/31/55/1002273155.db2.gz VHTBWHWHEDHZON-MWLCHTKSSA-N -1 0 313.372 -0.855 20 0 DBADRM CO[C@@](C)(CO)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001434127868 1002279889 /nfs/dbraw/zinc/27/98/89/1002279889.db2.gz XQGJFYPCGALDOT-CQSZACIVSA-N -1 0 322.321 -0.607 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCC[C@H]1NS(=O)(=O)c1ncc[n-]1 ZINC001414252906 1002284951 /nfs/dbraw/zinc/28/49/51/1002284951.db2.gz XPGBWVWTLMIRGU-RKDXNWHRSA-N -1 0 322.412 -0.594 20 0 DBADRM Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001434144426 1002287536 /nfs/dbraw/zinc/28/75/36/1002287536.db2.gz IIOLJTVZKOKFFQ-VIFPVBQESA-N -1 0 319.321 -0.418 20 0 DBADRM C[C@H]1C[C@@H](CS(=O)(=O)NCCc2nc(=O)o[n-]2)CCO1 ZINC001414262955 1002287913 /nfs/dbraw/zinc/28/79/13/1002287913.db2.gz HZNMXADCNWLWOH-IUCAKERBSA-N -1 0 305.356 -0.360 20 0 DBADRM C[C@@H]1C[C@H](CS(=O)(=O)NCCc2nc(=O)o[n-]2)CCO1 ZINC001414262956 1002289300 /nfs/dbraw/zinc/28/93/00/1002289300.db2.gz HZNMXADCNWLWOH-RKDXNWHRSA-N -1 0 305.356 -0.360 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CCC2(O)CC2)c(=O)n1C1CC1 ZINC001591794067 1016597969 /nfs/dbraw/zinc/59/79/69/1016597969.db2.gz XAKOAVYMWYBIPR-UHFFFAOYSA-N -1 0 318.337 -0.252 20 0 DBADRM CC(C)(C[N-]S(=O)(=O)N=S(C)(C)=O)S(C)(=O)=O ZINC001414266904 1002292683 /nfs/dbraw/zinc/29/26/83/1002292683.db2.gz YKMJWDJSUQBKMP-UHFFFAOYSA-N -1 0 306.431 -0.628 20 0 DBADRM CC(=O)NCC(=O)N[C@@]1(C)CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001434154055 1002293127 /nfs/dbraw/zinc/29/31/27/1002293127.db2.gz SYDLASAYSYZMNH-AWEZNQCLSA-N -1 0 323.353 -0.719 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1COC[C@H]1O ZINC001414267988 1002296042 /nfs/dbraw/zinc/29/60/42/1002296042.db2.gz NJQBMCSRZRHMND-ZEAWXOLYSA-N -1 0 300.402 -0.523 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001591820602 1016598541 /nfs/dbraw/zinc/59/85/41/1016598541.db2.gz NJQGLVPEGLGMCI-NXEZZACHSA-N -1 0 307.368 -0.052 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC2CCC2)c(=O)n1CCO ZINC001591793987 1016598600 /nfs/dbraw/zinc/59/86/00/1016598600.db2.gz SHFROFCLMDROCR-UHFFFAOYSA-N -1 0 306.326 -0.709 20 0 DBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)[O-])C(N)=O ZINC001591833145 1016599049 /nfs/dbraw/zinc/59/90/49/1016599049.db2.gz MLRXYNSULSKUHA-SNVBAGLBSA-N -1 0 307.306 -0.051 20 0 DBADRM CSCC[C@H](NC(=O)c1cccc(C(N)=O)n1)c1nnn[n-]1 ZINC001434199165 1002315458 /nfs/dbraw/zinc/31/54/58/1002315458.db2.gz HZQORLLVANFWEM-QMMMGPOBSA-N -1 0 321.366 -0.082 20 0 DBADRM Cc1cc(S(=O)(=O)NC2(C(N)=O)CCOCC2)sn1 ZINC001414309868 1002316927 /nfs/dbraw/zinc/31/69/27/1002316927.db2.gz RDLTUDSMTRCCET-UHFFFAOYSA-N -1 0 305.381 -0.236 20 0 DBADRM CC(C)[C@@H](O)C(=O)NC[C@H](Nc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001591845823 1016601999 /nfs/dbraw/zinc/60/19/99/1016601999.db2.gz AZMPIEUKYLCMEP-CMPLNLGQSA-N -1 0 322.365 -0.080 20 0 DBADRM CC(C)(CNS(=O)(=O)c1ccccc1[O-])CS(N)(=O)=O ZINC001414323622 1002325417 /nfs/dbraw/zinc/32/54/17/1002325417.db2.gz PDXKEETYWRKLBK-UHFFFAOYSA-N -1 0 322.408 -0.015 20 0 DBADRM CC(C)C(=O)N1CC[C@@](C)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001434214547 1002327236 /nfs/dbraw/zinc/32/72/36/1002327236.db2.gz QCHNDNLMUPTAGX-AWEZNQCLSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCCc1nc(=O)o[n-]1 ZINC001591862211 1016603537 /nfs/dbraw/zinc/60/35/37/1016603537.db2.gz ILZRWZVVXGWXPR-UHFFFAOYSA-N -1 0 315.293 -0.176 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCO[C@@H]2COCC[C@@H]21)C(=O)[O-] ZINC001591870295 1016603648 /nfs/dbraw/zinc/60/36/48/1016603648.db2.gz JAXRPJLFORLHTK-LOWVWBTDSA-N -1 0 300.355 -0.299 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC001591869733 1016604030 /nfs/dbraw/zinc/60/40/30/1016604030.db2.gz BESDMPMEQWAOQC-AWEZNQCLSA-N -1 0 321.381 -0.176 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC001591872098 1016604379 /nfs/dbraw/zinc/60/43/79/1016604379.db2.gz MRSGLAKRHRVXFC-KCJUWKMLSA-N -1 0 300.311 -0.767 20 0 DBADRM COC(=O)c1ccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)nc1 ZINC001434232565 1002334482 /nfs/dbraw/zinc/33/44/82/1002334482.db2.gz TXZVPBPLTDBWKO-UHFFFAOYSA-N -1 0 304.262 -0.001 20 0 DBADRM NC(=O)C1(O)CN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC001434237111 1002335304 /nfs/dbraw/zinc/33/53/04/1002335304.db2.gz BALRBPLXQNPOIN-UHFFFAOYSA-N -1 0 320.280 -0.611 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC[C@@H]2CCNC(=O)[C@@H]21)C(=O)[O-] ZINC001591865869 1016605052 /nfs/dbraw/zinc/60/50/52/1016605052.db2.gz DBBIJXWVKCVQMD-KGYLQXTDSA-N -1 0 311.382 -0.188 20 0 DBADRM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)C1=CCS(=O)(=O)C1 ZINC001434238165 1002337734 /nfs/dbraw/zinc/33/77/34/1002337734.db2.gz UZMVNBKMFAJBOJ-LLVKDONJSA-N -1 0 319.346 -0.240 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)[N-]CC(F)(F)C(=O)OC)CC1=O ZINC001414352996 1002340812 /nfs/dbraw/zinc/34/08/12/1002340812.db2.gz LGIFKQGNRBAFOR-ZETCQYMHSA-N -1 0 314.310 -0.665 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)CNC(=O)C(C)(C)C)C(=O)[O-] ZINC001591877746 1016606721 /nfs/dbraw/zinc/60/67/21/1016606721.db2.gz HXCWILVBHXFFLO-NSHDSACASA-N -1 0 316.354 -0.083 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)CN1CCOCC1)C(=O)[O-] ZINC001591877411 1016609154 /nfs/dbraw/zinc/60/91/54/1016609154.db2.gz DPJGPEGHOVDFKF-LBPRGKRZSA-N -1 0 302.327 -0.913 20 0 DBADRM CC(=O)NC[C@]1(C)CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001434291264 1002361385 /nfs/dbraw/zinc/36/13/85/1002361385.db2.gz XFIAVRLFKTULJD-ZDUSSCGKSA-N -1 0 309.326 -0.339 20 0 DBADRM COC(=O)C1(O)CN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC001434312826 1002371425 /nfs/dbraw/zinc/37/14/25/1002371425.db2.gz QRIQWMDCHBOXLL-UHFFFAOYSA-N -1 0 311.338 -0.879 20 0 DBADRM CC1(Cn2cc(C(=O)N3CC[C@H](c4nnn[n-]4)C3)nn2)COC1 ZINC001434314186 1002372783 /nfs/dbraw/zinc/37/27/83/1002372783.db2.gz FXNDTLFEVFKSCE-VIFPVBQESA-N -1 0 318.341 -0.543 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)CCCC1 ZINC001434314485 1002373763 /nfs/dbraw/zinc/37/37/63/1002373763.db2.gz KBHANHRLFKCGHL-SECBINFHSA-N -1 0 313.383 -0.127 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@H](CC(N)=O)C2)c1 ZINC001591888791 1016611746 /nfs/dbraw/zinc/61/17/46/1016611746.db2.gz OJSYVURRWDPECJ-SECBINFHSA-N -1 0 303.326 -0.349 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCc2nc(C)ncc2C1 ZINC001425753808 1002380590 /nfs/dbraw/zinc/38/05/90/1002380590.db2.gz IJUFZYUPYQAAPA-JTQLQIEISA-N -1 0 302.342 -0.108 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001591894734 1016613067 /nfs/dbraw/zinc/61/30/67/1016613067.db2.gz VQZCUIFCRSXQNR-ONGXEEELSA-N -1 0 309.326 -0.480 20 0 DBADRM CN(C)C(=O)c1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)nc1 ZINC001414484203 1002386215 /nfs/dbraw/zinc/38/62/15/1002386215.db2.gz VPRMUTQAWIIMNC-UHFFFAOYSA-N -1 0 305.298 -0.071 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC001425759048 1002387282 /nfs/dbraw/zinc/38/72/82/1002387282.db2.gz PEXMKMNRUZXZPZ-UHFFFAOYSA-N -1 0 304.376 -0.598 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](CS(N)(=O)=O)C2)n1 ZINC001591886174 1016613404 /nfs/dbraw/zinc/61/34/04/1016613404.db2.gz HKYZJHKQZBRGGN-QMMMGPOBSA-N -1 0 324.370 -0.920 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001591905213 1016615836 /nfs/dbraw/zinc/61/58/36/1016615836.db2.gz ATTSPQQCOVOADE-KWQFWETISA-N -1 0 310.347 -0.415 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001425769850 1002406707 /nfs/dbraw/zinc/40/67/07/1002406707.db2.gz YBWOHGBRWAWELV-VIFPVBQESA-N -1 0 308.346 -0.817 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)c1nnn[n-]1 ZINC001434365085 1002418784 /nfs/dbraw/zinc/41/87/84/1002418784.db2.gz WKIBVYFCOIMAAR-BDAKNGLRSA-N -1 0 310.358 -0.350 20 0 DBADRM O=C(CN1CCCNC1=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001434365756 1002419524 /nfs/dbraw/zinc/41/95/24/1002419524.db2.gz QIIQYLDYFPENBN-SNVBAGLBSA-N -1 0 307.358 -0.604 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CC(c2cccnc2)=NO1)c1nnn[n-]1 ZINC001434365648 1002419782 /nfs/dbraw/zinc/41/97/82/1002419782.db2.gz YTPQADOIJOVOCU-GHMZBOCLSA-N -1 0 317.309 -0.408 20 0 DBADRM COC(=O)[C@H]1CSCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001434369579 1002422779 /nfs/dbraw/zinc/42/27/79/1002422779.db2.gz OYCRVVVBYHLCBV-RXMQYKEDSA-N -1 0 300.296 -0.987 20 0 DBADRM COC(=O)N1CC(C)(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001434370145 1002423042 /nfs/dbraw/zinc/42/30/42/1002423042.db2.gz VDXPIEMAPCSMAK-UHFFFAOYSA-N -1 0 305.294 -0.407 20 0 DBADRM C[C@@]1([C@@H]2CCCN(C(=O)CCc3nnn[n-]3)C2)COC(=O)N1 ZINC001434372071 1002424965 /nfs/dbraw/zinc/42/49/65/1002424965.db2.gz ZXBWRIBPCFFYTQ-RNCFNFMXSA-N -1 0 308.342 -0.131 20 0 DBADRM COC(=O)[C@H]1CCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001434387017 1002437810 /nfs/dbraw/zinc/43/78/10/1002437810.db2.gz OQIAGUASDYFJIS-SECBINFHSA-N -1 0 314.319 -0.573 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@]12CC(=O)N[C@H]1CCCC2 ZINC001434413885 1002457511 /nfs/dbraw/zinc/45/75/11/1002457511.db2.gz KTKCYSUFSHXZNZ-LKFCYVNXSA-N -1 0 323.353 -0.213 20 0 DBADRM CC(C)c1nc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c[nH]1 ZINC001592030832 1016625255 /nfs/dbraw/zinc/62/52/55/1016625255.db2.gz YSRQUECIEQCRFY-BDAKNGLRSA-N -1 0 317.367 -0.011 20 0 DBADRM CC(C)c1nnc(CNS(=O)(=O)N(C)CCC(=O)[O-])[nH]1 ZINC001592060386 1016625265 /nfs/dbraw/zinc/62/52/65/1016625265.db2.gz PJRBPACZZTXRDI-UHFFFAOYSA-N -1 0 305.360 -0.331 20 0 DBADRM CC(C)c1noc(CCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC001592095821 1016626479 /nfs/dbraw/zinc/62/64/79/1016626479.db2.gz XNWXJIQLQHEUHE-SECBINFHSA-N -1 0 324.337 -0.215 20 0 DBADRM CC(C)n1ncnc1CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001592169259 1016631709 /nfs/dbraw/zinc/63/17/09/1016631709.db2.gz IDMIXSZYLQBSCL-UHFFFAOYSA-N -1 0 316.383 -0.019 20 0 DBADRM CC(C)n1[nH]cnc1=NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001592171928 1016631879 /nfs/dbraw/zinc/63/18/79/1016631879.db2.gz VROYUXFIUVNJDO-UHFFFAOYSA-N -1 0 305.294 -0.221 20 0 DBADRM Cn1ccc(N2CCC[C@H](NS(=O)(=O)c3ncc[n-]3)C2=O)n1 ZINC001434555796 1002521990 /nfs/dbraw/zinc/52/19/90/1002521990.db2.gz SEKQMGPJFXVVKR-VIFPVBQESA-N -1 0 324.366 -0.383 20 0 DBADRM Cn1c(C[N-]S(=O)(=O)N=S(C)(C)=O)nnc1C1CC1 ZINC001434558950 1002525232 /nfs/dbraw/zinc/52/52/32/1002525232.db2.gz GOJVNFIVLSVGKO-UHFFFAOYSA-N -1 0 307.401 -0.246 20 0 DBADRM Cc1ccc(Oc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)cn1 ZINC001592191635 1016634344 /nfs/dbraw/zinc/63/43/44/1016634344.db2.gz YZCQLXKRWJADIH-UHFFFAOYSA-N -1 0 315.293 -0.240 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001592192460 1016634428 /nfs/dbraw/zinc/63/44/28/1016634428.db2.gz MVXJJYXXEFJXLE-XKXJEGEASA-N -1 0 306.322 -0.438 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC001592210190 1016634718 /nfs/dbraw/zinc/63/47/18/1016634718.db2.gz BIVIRZBKBUFVGO-WEMAUNJASA-N -1 0 323.334 -0.030 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001592200444 1016635056 /nfs/dbraw/zinc/63/50/56/1016635056.db2.gz HDEFGFIPYDHWDY-ROSGPLSXSA-N -1 0 304.368 -0.197 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@@H](C)OC2=O)n[nH]1 ZINC001434571420 1002535782 /nfs/dbraw/zinc/53/57/82/1002535782.db2.gz FWKLSFGCGYQSSD-VDTYLAMSSA-N -1 0 303.296 -0.821 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC001592201907 1016635308 /nfs/dbraw/zinc/63/53/08/1016635308.db2.gz RGWFQEFZNNPTIX-HDIPRYQNSA-N -1 0 309.322 -0.148 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C)/C=C\C(=O)[O-] ZINC001592200455 1016635800 /nfs/dbraw/zinc/63/58/00/1016635800.db2.gz HIFLIDQZQAKEMH-UMCURTJPSA-N -1 0 322.383 -0.524 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001592200442 1016635951 /nfs/dbraw/zinc/63/59/51/1016635951.db2.gz HDEFGFIPYDHWDY-QEBMPYFUSA-N -1 0 304.368 -0.197 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1cc(S(N)(=O)=O)cn1C ZINC001592206982 1016636117 /nfs/dbraw/zinc/63/61/17/1016636117.db2.gz XHWAODHPSQICPR-KFOINNEUSA-N -1 0 301.324 -0.568 20 0 DBADRM O=C1Nc2ccccc2[C@]1(O)CCNS(=O)(=O)c1ncc[n-]1 ZINC001434632765 1002558734 /nfs/dbraw/zinc/55/87/34/1002558734.db2.gz DQMIPCWFKARIJN-CYBMUJFWSA-N -1 0 322.346 -0.082 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H](O)c1ccnn1C ZINC001434637609 1002561191 /nfs/dbraw/zinc/56/11/91/1002561191.db2.gz YMDPUBCQYNMMRE-SNVBAGLBSA-N -1 0 324.428 -0.204 20 0 DBADRM C[C@@](Cn1cccn1)(NS(=O)(=O)c1ccccc1[O-])C(N)=O ZINC001434651737 1002564420 /nfs/dbraw/zinc/56/44/20/1002564420.db2.gz XRPCFSHLDAJXOY-ZDUSSCGKSA-N -1 0 324.362 -0.189 20 0 DBADRM C[C@H](CC(=O)N[C@@H](Cn1cncn1)C(=O)[O-])c1cnn(C)c1 ZINC001592247033 1016639266 /nfs/dbraw/zinc/63/92/66/1016639266.db2.gz XYMYPEHTKLZMLA-KOLCDFICSA-N -1 0 306.326 -0.225 20 0 DBADRM Cc1conc1CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001592312208 1016641327 /nfs/dbraw/zinc/64/13/27/1016641327.db2.gz RBJWJILTAPUVAK-SSDOTTSWSA-N -1 0 303.286 -0.368 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC001434729352 1002580403 /nfs/dbraw/zinc/58/04/03/1002580403.db2.gz CPRIAJPXQNYISJ-UHFFFAOYSA-N -1 0 319.325 -0.302 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC001434729846 1002580416 /nfs/dbraw/zinc/58/04/16/1002580416.db2.gz IUQKKQHANRWORL-UHFFFAOYSA-N -1 0 311.346 -0.144 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)C1CS(=O)(=O)C1)c1ccccn1 ZINC001592280174 1016642519 /nfs/dbraw/zinc/64/25/19/1016642519.db2.gz AIRSFWVNPPBEEZ-ZDUSSCGKSA-N -1 0 312.347 -0.068 20 0 DBADRM Cc1conc1CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001592312209 1016642760 /nfs/dbraw/zinc/64/27/60/1016642760.db2.gz RBJWJILTAPUVAK-ZETCQYMHSA-N -1 0 303.286 -0.368 20 0 DBADRM Cc1conc1C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001592310803 1016642957 /nfs/dbraw/zinc/64/29/57/1016642957.db2.gz KMIJLJQOVQVTNA-UHFFFAOYSA-N -1 0 315.297 -0.783 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)C1CS(=O)(=O)C1)c1ccccn1 ZINC001592280173 1016643035 /nfs/dbraw/zinc/64/30/35/1016643035.db2.gz AIRSFWVNPPBEEZ-CYBMUJFWSA-N -1 0 312.347 -0.068 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccn1 ZINC001592290260 1016643106 /nfs/dbraw/zinc/64/31/06/1016643106.db2.gz GPJQVODRACDEOW-RMLUDKJBSA-N -1 0 320.305 -0.514 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccn1 ZINC001592290264 1016643155 /nfs/dbraw/zinc/64/31/55/1016643155.db2.gz GPJQVODRACDEOW-RTHLEPHNSA-N -1 0 320.305 -0.514 20 0 DBADRM Cc1csc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001592313486 1016643413 /nfs/dbraw/zinc/64/34/13/1016643413.db2.gz VRUVPRCJYVMUOZ-UHFFFAOYSA-N -1 0 305.327 -0.347 20 0 DBADRM C[C@](CC(=O)[O-])(NCc1cn(CC(N)=O)nn1)c1ccncc1 ZINC001592329734 1016647132 /nfs/dbraw/zinc/64/71/32/1016647132.db2.gz LUOZFTNBTIXKPM-CQSZACIVSA-N -1 0 318.337 -0.362 20 0 DBADRM Cc1n[nH]c(C)c1CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001592325223 1016647360 /nfs/dbraw/zinc/64/73/60/1016647360.db2.gz BQIIOKYWYTWIOZ-UHFFFAOYSA-N -1 0 317.313 -0.382 20 0 DBADRM O=C(NCC[C@H]1CNC(=O)C1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001434830758 1002633543 /nfs/dbraw/zinc/63/35/43/1002633543.db2.gz UALJVIBSLFUFEU-ZJUUUORDSA-N -1 0 322.369 -0.075 20 0 DBADRM O=C(NCC[C@@H]1CNC(=O)C1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001434830756 1002633687 /nfs/dbraw/zinc/63/36/87/1002633687.db2.gz UALJVIBSLFUFEU-UWVGGRQHSA-N -1 0 322.369 -0.075 20 0 DBADRM O=C(N[C@H]1C[C@@H](CO)C1)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001434841552 1002642630 /nfs/dbraw/zinc/64/26/30/1002642630.db2.gz QPMJRBOSSORHIM-MXWKQRLJSA-N -1 0 307.354 -0.169 20 0 DBADRM CCn1[n-]nnc1=NC(=O)c1ccc(OCC(=O)OC)cc1 ZINC001436242795 1002669720 /nfs/dbraw/zinc/66/97/20/1002669720.db2.gz GJWICMJXSYLYLZ-UHFFFAOYSA-N -1 0 305.294 -0.081 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCN(c2c[nH]c(=O)nc2N)CC1 ZINC001592375598 1016654907 /nfs/dbraw/zinc/65/49/07/1016654907.db2.gz SGUFQEKGVVDVLY-SECBINFHSA-N -1 0 323.353 -0.086 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC001592375988 1016655561 /nfs/dbraw/zinc/65/55/61/1016655561.db2.gz ZIVWGQNWAHJGCQ-LLVKDONJSA-N -1 0 311.382 -0.090 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1C[C@H](NCc2ccon2)C1 ZINC001436404080 1002702430 /nfs/dbraw/zinc/70/24/30/1002702430.db2.gz ZHTSPKYJSQAERR-CZMCAQCFSA-N -1 0 322.325 -0.638 20 0 DBADRM COCCN(CCNC(=O)c1cncnc1)Cc1n[nH]c(=O)[n-]1 ZINC001426154579 1002705611 /nfs/dbraw/zinc/70/56/11/1002705611.db2.gz LUROTWHRMRIIFQ-UHFFFAOYSA-N -1 0 321.341 -0.821 20 0 DBADRM Cc1ncc(Cn2c(=O)c(-c3nnn[n-]3)c(C)n(C)c2=O)cn1 ZINC001592410179 1016660422 /nfs/dbraw/zinc/66/04/22/1016660422.db2.gz GONZNLSHQDPKBY-UHFFFAOYSA-N -1 0 314.309 -0.818 20 0 DBADRM Cc1ncc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)o1 ZINC001592411481 1016661734 /nfs/dbraw/zinc/66/17/34/1016661734.db2.gz XXWBJYVORZXLAJ-UHFFFAOYSA-N -1 0 304.270 -0.425 20 0 DBADRM Cc1nn(C[C@@]2(O)CCCOC2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592435896 1016662961 /nfs/dbraw/zinc/66/29/61/1016662961.db2.gz DJKNSFPYPNVOET-ZDUSSCGKSA-N -1 0 306.326 -0.418 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)Cn1cc(-c2nnn[n-]2)nn1 ZINC001592430409 1016663353 /nfs/dbraw/zinc/66/33/53/1016663353.db2.gz AUSHQXJAMQEUAR-UHFFFAOYSA-N -1 0 302.302 -0.553 20 0 DBADRM Cc1ncccc1CCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001592417245 1016663983 /nfs/dbraw/zinc/66/39/83/1016663983.db2.gz IFWQXKAKXUSZCU-UHFFFAOYSA-N -1 0 313.325 -0.479 20 0 DBADRM Cc1nn(CC(=O)c2cnn(C)n2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592436269 1016667401 /nfs/dbraw/zinc/66/74/01/1016667401.db2.gz LROMHEWKEMNAIQ-UHFFFAOYSA-N -1 0 315.297 -0.948 20 0 DBADRM Cc1nnccc1NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001592451104 1016667503 /nfs/dbraw/zinc/66/75/03/1016667503.db2.gz UJVUACOOBJHFHI-ZETCQYMHSA-N -1 0 300.286 -0.244 20 0 DBADRM Cc1nnc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)s1 ZINC001592448600 1016669484 /nfs/dbraw/zinc/66/94/84/1016669484.db2.gz ATVPGZUOCATJSH-SCSAIBSYSA-N -1 0 306.315 -0.182 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001415241024 1002771601 /nfs/dbraw/zinc/77/16/01/1002771601.db2.gz MKIDDIJVSVROLE-CIUDSAMLSA-N -1 0 308.338 -0.624 20 0 DBADRM C[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415244363 1002774910 /nfs/dbraw/zinc/77/49/10/1002774910.db2.gz BSDYXVZIROXHMR-HXFLIBJXSA-N -1 0 321.337 -0.437 20 0 DBADRM Cc1nnc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1C ZINC001592448860 1016671232 /nfs/dbraw/zinc/67/12/32/1016671232.db2.gz PLTBRCABMRNCBT-YFKPBYRVSA-N -1 0 303.290 -0.905 20 0 DBADRM Cc1nonc1COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001592467163 1016672661 /nfs/dbraw/zinc/67/26/61/1016672661.db2.gz YBQXQNTYAQCMDE-LURJTMIESA-N -1 0 305.258 -0.546 20 0 DBADRM Cc1nonc1COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001592467164 1016672807 /nfs/dbraw/zinc/67/28/07/1016672807.db2.gz YBQXQNTYAQCMDE-ZCFIWIBFSA-N -1 0 305.258 -0.546 20 0 DBADRM C[C@H](C[C@@H](C)Nc1cc[nH+]c(C(=O)[O-])n1)NC(=O)c1nnc[n-]1 ZINC001592452149 1016672859 /nfs/dbraw/zinc/67/28/59/1016672859.db2.gz JRJBUWORCBBKFV-HTQZYQBOSA-N -1 0 319.325 -0.276 20 0 DBADRM C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001592463717 1016674544 /nfs/dbraw/zinc/67/45/44/1016674544.db2.gz HYAUICMSPBSCHV-BDAKNGLRSA-N -1 0 324.337 -0.012 20 0 DBADRM Cc1nocc1CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001592465198 1016674803 /nfs/dbraw/zinc/67/48/03/1016674803.db2.gz JABXBUXVVZRVGP-SSDOTTSWSA-N -1 0 303.286 -0.368 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001592453708 1016675225 /nfs/dbraw/zinc/67/52/25/1016675225.db2.gz XOUWINCPNCOTBT-SFYZADRCSA-N -1 0 309.326 -0.397 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NC(=O)c2cn(C)nn2)c1[O-] ZINC001426445456 1002804127 /nfs/dbraw/zinc/80/41/27/1002804127.db2.gz ZCZNUUNXIAIOMX-NKWVEPMBSA-N -1 0 321.341 -0.511 20 0 DBADRM CC(=O)N(C)CC(C)(C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001426499344 1002810208 /nfs/dbraw/zinc/81/02/08/1002810208.db2.gz JGQFVNNQWGVKPL-UHFFFAOYSA-N -1 0 310.354 -0.280 20 0 DBADRM C[C@H](CCNC(=O)C(C)(F)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415360672 1002816456 /nfs/dbraw/zinc/81/64/56/1002816456.db2.gz WEJRGOKMQGLPGS-ZCFIWIBFSA-N -1 0 321.284 -0.645 20 0 DBADRM C[C@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CC1CC1 ZINC001415413796 1002828644 /nfs/dbraw/zinc/82/86/44/1002828644.db2.gz ULSANNLBCRTIAX-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@@H](CCNC(=O)[C@H]1COCCO1)Nc1ncc(C(=O)[O-])cn1 ZINC001592512659 1016681521 /nfs/dbraw/zinc/68/15/21/1016681521.db2.gz BCHKLTBOHTTXHU-GXSJLCMTSA-N -1 0 324.337 -0.103 20 0 DBADRM O=C(Cc1c[nH]cn1)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001437036106 1002845266 /nfs/dbraw/zinc/84/52/66/1002845266.db2.gz HSTPZVRLGJSCAT-NSHDSACASA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@@H](CCNC(=O)c1cnn(C)c1)Nc1ccnc(C(=O)[O-])n1 ZINC001592520959 1016684618 /nfs/dbraw/zinc/68/46/18/1016684618.db2.gz RSKCBELJOUTJTR-VIFPVBQESA-N -1 0 318.337 -0.049 20 0 DBADRM C[C@](CCF)(NS(=O)(=O)CCN1CCOC1=O)C(=O)[O-] ZINC001592507829 1016682794 /nfs/dbraw/zinc/68/27/94/1016682794.db2.gz OEOGUOFYOMIIMO-SNVBAGLBSA-N -1 0 312.319 -0.439 20 0 DBADRM Cc1nonc1C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001415543731 1002875947 /nfs/dbraw/zinc/87/59/47/1002875947.db2.gz JIVLKFMEIDVVAP-UHFFFAOYSA-N -1 0 308.298 -0.383 20 0 DBADRM CCCC(=O)N(C)C[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001426720924 1002876241 /nfs/dbraw/zinc/87/62/41/1002876241.db2.gz WXUUEXUCPSKIDT-SECBINFHSA-N -1 0 311.342 -0.451 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1(C2CC2)CC1 ZINC001415569100 1002882857 /nfs/dbraw/zinc/88/28/57/1002882857.db2.gz CXQNNRCRJSBIBQ-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H](CO)CC2CC2)c(-c2nnn[n-]2)c1=O ZINC001592543810 1016687785 /nfs/dbraw/zinc/68/77/85/1016687785.db2.gz NZHABFPXLVCTBW-SSDOTTSWSA-N -1 0 307.314 -0.761 20 0 DBADRM CCCCC(=O)N(C)[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001426759653 1002884244 /nfs/dbraw/zinc/88/42/44/1002884244.db2.gz CFSPWPKRLKHFFD-VIFPVBQESA-N -1 0 313.358 -0.157 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)C1=CCCC1 ZINC001426766664 1002886072 /nfs/dbraw/zinc/88/60/72/1002886072.db2.gz MAXBMEOQZSPYJY-VIFPVBQESA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001592537238 1016688569 /nfs/dbraw/zinc/68/85/69/1016688569.db2.gz IMQAOKFCSVDSLX-UTINFBMNSA-N -1 0 307.368 -0.196 20 0 DBADRM Cc1nc(CN[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001437242750 1002890371 /nfs/dbraw/zinc/89/03/71/1002890371.db2.gz FGVVXKVYWFXKRO-ZETCQYMHSA-N -1 0 310.314 -0.720 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@H]2CCC[C@@H]2O)c(-c2nnn[n-]2)c1=O ZINC001592545556 1016689631 /nfs/dbraw/zinc/68/96/31/1016689631.db2.gz DJSRSANEZDEIDH-RQJHMYQMSA-N -1 0 307.314 -0.761 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@]23C[C@@H]2COC3(C)C)c(-c2nnn[n-]2)c1=O ZINC001592545545 1016689791 /nfs/dbraw/zinc/68/97/91/1016689791.db2.gz CXKLNLZWORXEKD-UANNBLPKSA-N -1 0 319.325 -0.355 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2CCCC[C@H]2O)c(-c2nnn[n-]2)c1=O ZINC001592544898 1016689820 /nfs/dbraw/zinc/68/98/20/1016689820.db2.gz CJBBQYZVTOGBCI-RNFRBKRXSA-N -1 0 307.314 -0.619 20 0 DBADRM Cn1c(=O)[nH]c(NCCn2cccc2)c(-c2nnn[n-]2)c1=O ZINC001592546318 1016689855 /nfs/dbraw/zinc/68/98/55/1016689855.db2.gz MUKYOPNIXJOVMK-UHFFFAOYSA-N -1 0 302.298 -0.420 20 0 DBADRM C[C@@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H](C)CC(N)=O ZINC001592531532 1016690021 /nfs/dbraw/zinc/69/00/21/1016690021.db2.gz YXEPNPJNBYECLT-IUCAKERBSA-N -1 0 323.353 -0.007 20 0 DBADRM Cn1c(=O)[nH]c(N2CCC3(CCC3)C2)c(-c2nnn[n-]2)c1=O ZINC001592543790 1016690108 /nfs/dbraw/zinc/69/01/08/1016690108.db2.gz NAHWPUOFOUXBLA-UHFFFAOYSA-N -1 0 303.326 -0.366 20 0 DBADRM Cn1c(=O)[nH]c(S[C@@H]2COC(C)(C)C2)c(-c2nnn[n-]2)c1=O ZINC001592545417 1016690438 /nfs/dbraw/zinc/69/04/38/1016690438.db2.gz VRPVISHDZBQLLV-LURJTMIESA-N -1 0 324.366 -0.087 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H]2CSC2(C)C)c(-c2nnn[n-]2)c1=O ZINC001592546948 1016691381 /nfs/dbraw/zinc/69/13/81/1016691381.db2.gz XYMNDSLDLBYAQU-YFKPBYRVSA-N -1 0 309.355 -0.028 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccc(Cl)cn2)c1=O ZINC001592558076 1016695961 /nfs/dbraw/zinc/69/59/61/1016695961.db2.gz MLYRXGQTOCLJBG-UHFFFAOYSA-N -1 0 319.712 -0.176 20 0 DBADRM CCCC(=O)NC1(CCO)CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001426853344 1002911406 /nfs/dbraw/zinc/91/14/06/1002911406.db2.gz ATVBKQAANXRHRI-UHFFFAOYSA-N -1 0 310.354 -0.083 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCc2ccsc2)n(C)c1=O ZINC001592555297 1016695231 /nfs/dbraw/zinc/69/52/31/1016695231.db2.gz HRMJBEWIDOFXQP-UHFFFAOYSA-N -1 0 319.350 -0.062 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H](O)c2ccccc2)c1=O ZINC001592558091 1016696764 /nfs/dbraw/zinc/69/67/64/1016696764.db2.gz NAJOOWVZOLWFOT-LLVKDONJSA-N -1 0 314.305 -0.539 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCC(F)F)n(C)c1=O ZINC001592555642 1016697353 /nfs/dbraw/zinc/69/73/53/1016697353.db2.gz OPPNNINYXKBEFQ-UHFFFAOYSA-N -1 0 301.257 -0.669 20 0 DBADRM CC(=O)NCc1nc(CNC(=O)Cn2cncc2C)cc(=O)[nH]1 ZINC001426953224 1002966492 /nfs/dbraw/zinc/96/64/92/1002966492.db2.gz MREDGJZEZOFLBX-UHFFFAOYSA-N -1 0 318.337 -0.360 20 0 DBADRM Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(F)c2)nn1 ZINC001592574326 1016704451 /nfs/dbraw/zinc/70/44/51/1016704451.db2.gz BTXNXJKSQRWGNT-UHFFFAOYSA-N -1 0 324.301 -0.065 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1C[C@@H](O)CN1c1ccncn1)C(=O)[O-] ZINC001592570095 1016706408 /nfs/dbraw/zinc/70/64/08/1016706408.db2.gz ZRSKXYAPYQPXSM-GMTAPVOTSA-N -1 0 308.338 -0.405 20 0 DBADRM CCCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@@H]1C[C@H]1C ZINC001415814635 1003014793 /nfs/dbraw/zinc/01/47/93/1003014793.db2.gz XQTYYTALWPLUHZ-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM CN(CCNC(=O)COCc1ccnn1C)Cc1n[nH]c(=O)[n-]1 ZINC001437480504 1003025084 /nfs/dbraw/zinc/02/50/84/1003025084.db2.gz NCWAVSIDQMBISG-UHFFFAOYSA-N -1 0 323.357 -0.991 20 0 DBADRM CC(=O)NCC(=O)N(CCNC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001415851353 1003031424 /nfs/dbraw/zinc/03/14/24/1003031424.db2.gz LYGPOJXBOUNTHX-UHFFFAOYSA-N -1 0 323.353 -0.719 20 0 DBADRM C[C@H](CN(C)C(=O)c1ccncn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592578989 1016712718 /nfs/dbraw/zinc/71/27/18/1016712718.db2.gz MCAXAZQSTZYNCZ-SECBINFHSA-N -1 0 316.321 -0.041 20 0 DBADRM Cn1nc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c2ccccc21 ZINC001592594796 1016714062 /nfs/dbraw/zinc/71/40/62/1016714062.db2.gz DVNCGJOHRIEIHX-UHFFFAOYSA-N -1 0 324.308 -0.016 20 0 DBADRM CN(CCNC(=O)[C@H]1CCC[C@H](C(N)=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001437521837 1003052786 /nfs/dbraw/zinc/05/27/86/1003052786.db2.gz CVIWCNNPQNMFEZ-UWVGGRQHSA-N -1 0 324.385 -0.650 20 0 DBADRM C[C@H](Cc1cnn(C)c1)C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001437541162 1003060904 /nfs/dbraw/zinc/06/09/04/1003060904.db2.gz ORNUGPBPOAERSQ-SNVBAGLBSA-N -1 0 321.385 -0.329 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001427292590 1003071817 /nfs/dbraw/zinc/07/18/17/1003071817.db2.gz VQSBUKDRXHBJCY-HZMBPMFUSA-N -1 0 323.353 -0.546 20 0 DBADRM Cc1cnn(CCC(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)c1 ZINC001437568948 1003074305 /nfs/dbraw/zinc/07/43/05/1003074305.db2.gz DCIDCCHMNVMHFY-UHFFFAOYSA-N -1 0 307.358 -0.346 20 0 DBADRM C[C@H](CN1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O)S(C)(=O)=O ZINC001592610901 1016724459 /nfs/dbraw/zinc/72/44/59/1016724459.db2.gz LCRKAHTZICVFGU-HRDYMLBCSA-N -1 0 318.351 -0.453 20 0 DBADRM CCN(CCNC(=O)Cc1[nH]cnc1C)Cc1n[nH]c(=O)[n-]1 ZINC001437644105 1003111530 /nfs/dbraw/zinc/11/15/30/1003111530.db2.gz XYMGYDPZQIDYID-UHFFFAOYSA-N -1 0 307.358 -0.277 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ocnc1C ZINC001437644134 1003113103 /nfs/dbraw/zinc/11/31/03/1003113103.db2.gz ZCYMPLGNSNSBHS-UHFFFAOYSA-N -1 0 324.341 -0.376 20 0 DBADRM Cn1nnc2c1nccc2C(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001592609390 1016725925 /nfs/dbraw/zinc/72/59/25/1016725925.db2.gz VZZVQMCIAHTEEV-UHFFFAOYSA-N -1 0 311.269 -0.481 20 0 DBADRM CCCC(=O)NCCN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001495804511 1016726778 /nfs/dbraw/zinc/72/67/78/1016726778.db2.gz KEORBMLTRYGUFI-UHFFFAOYSA-N -1 0 313.358 -0.156 20 0 DBADRM C[C@@H](CN(C)C(=O)c1ccco1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001427443857 1003126374 /nfs/dbraw/zinc/12/63/74/1003126374.db2.gz VZXCEVATHCYJTI-QMMMGPOBSA-N -1 0 323.309 -0.441 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001416062092 1003136216 /nfs/dbraw/zinc/13/62/16/1003136216.db2.gz KVKLMSJQJQECIO-SNVBAGLBSA-N -1 0 323.353 -0.721 20 0 DBADRM C[C@@H](CNC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)S(N)(=O)=O ZINC001592675265 1016739421 /nfs/dbraw/zinc/73/94/21/1016739421.db2.gz CKWWGJUDXVVOSU-YIZRAAEISA-N -1 0 307.372 -0.394 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001437711020 1003156863 /nfs/dbraw/zinc/15/68/63/1003156863.db2.gz ZQEZGRPFKXGQNW-UWVGGRQHSA-N -1 0 320.357 -0.699 20 0 DBADRM C[C@H](CN1CCOCC1)C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001592623338 1016730841 /nfs/dbraw/zinc/73/08/41/1016730841.db2.gz HBHQLYPDNQSOTM-IUODEOHRSA-N -1 0 324.381 -0.189 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)Cn1cccn1 ZINC001592625013 1016731062 /nfs/dbraw/zinc/73/10/62/1016731062.db2.gz PISPUNILABITKE-GRYCIOLGSA-N -1 0 322.365 -0.043 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)Cn1cccn1 ZINC001592625019 1016731077 /nfs/dbraw/zinc/73/10/77/1016731077.db2.gz PISPUNILABITKE-WOPDTQHZSA-N -1 0 322.365 -0.043 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)Cn1cccn1 ZINC001592624957 1016731339 /nfs/dbraw/zinc/73/13/39/1016731339.db2.gz NRSQTQZIOZTUSX-UTUOFQBUSA-N -1 0 322.365 -0.043 20 0 DBADRM C[C@H](CN1CCCC1=O)NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001592617267 1016731514 /nfs/dbraw/zinc/73/15/14/1016731514.db2.gz OUEUGQDCQYHLEK-VWYCJHECSA-N -1 0 313.354 -0.119 20 0 DBADRM C[C@@](CNC(=O)[C@@H](CO)NC(N)=O)(C(=O)[O-])c1ccccc1 ZINC001592636451 1016732904 /nfs/dbraw/zinc/73/29/04/1016732904.db2.gz WEWXJJAZSRCWPE-YGRLFVJLSA-N -1 0 309.322 -0.826 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)Cc3cnoc3)C2)c1[O-] ZINC001416118255 1003197614 /nfs/dbraw/zinc/19/76/14/1003197614.db2.gz MDMOOYCWYPQANS-UHFFFAOYSA-N -1 0 319.321 -0.157 20 0 DBADRM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)Nc1ncc(C(=O)[O-])cn1 ZINC001592653516 1016735980 /nfs/dbraw/zinc/73/59/80/1016735980.db2.gz GNUUHPOTQLUROR-GXSJLCMTSA-N -1 0 324.337 -0.103 20 0 DBADRM C[C@@H](CNC(=O)CCNC(N)=O)N(C)c1ncc(C(=O)[O-])cn1 ZINC001592651429 1016736175 /nfs/dbraw/zinc/73/61/75/1016736175.db2.gz XQJDCWOYZYTIID-QMMMGPOBSA-N -1 0 324.341 -0.826 20 0 DBADRM C[C@H](CNC(=O)Cc1cc[nH]n1)CNc1ccnc(C(=O)[O-])n1 ZINC001592653497 1016737370 /nfs/dbraw/zinc/73/73/70/1016737370.db2.gz FPUCBJLQEZEKCB-VIFPVBQESA-N -1 0 318.337 -0.273 20 0 DBADRM C[C@H](CNC(=O)Cn1ccnc1)CNc1ccnc(C(=O)[O-])n1 ZINC001592653793 1016738206 /nfs/dbraw/zinc/73/82/06/1016738206.db2.gz AMIMXXQEDNLPNP-JTQLQIEISA-N -1 0 318.337 -0.342 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)Cn1ccnc1 ZINC001416202151 1003246261 /nfs/dbraw/zinc/24/62/61/1003246261.db2.gz NCAOSKFUSDCQAV-SNVBAGLBSA-N -1 0 320.353 -0.055 20 0 DBADRM C[C@@H](CNC(=O)c1cn[nH]n1)N(C)c1ncc(C(=O)[O-])cn1 ZINC001592692513 1016746384 /nfs/dbraw/zinc/74/63/84/1016746384.db2.gz OMRRZTUDTQEFRB-ZETCQYMHSA-N -1 0 305.298 -0.452 20 0 DBADRM C[C@@H](CNC(=O)c1nnc[nH]1)CNc1ncc(C(=O)[O-])cn1 ZINC001592706136 1016753093 /nfs/dbraw/zinc/75/30/93/1016753093.db2.gz NOKUCRNAQCQWFC-ZETCQYMHSA-N -1 0 305.298 -0.229 20 0 DBADRM C[C@@H](CNC(=O)c1ccn(C)n1)CNc1ccnc(C(=O)[O-])n1 ZINC001592701865 1016750060 /nfs/dbraw/zinc/75/00/60/1016750060.db2.gz SNOSLIHHZPXSPO-SECBINFHSA-N -1 0 318.337 -0.192 20 0 DBADRM CCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCN(CCF)C1 ZINC001437899574 1003275798 /nfs/dbraw/zinc/27/57/98/1003275798.db2.gz AXWKHJJHWCWVQV-JTQLQIEISA-N -1 0 315.349 -0.028 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N(C)CCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001437951774 1003296815 /nfs/dbraw/zinc/29/68/15/1003296815.db2.gz GUNYLQMVRVLKBI-NEPJUHHUSA-N -1 0 322.413 -0.258 20 0 DBADRM O=C(COc1ccsc1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438086753 1003344548 /nfs/dbraw/zinc/34/45/48/1003344548.db2.gz KSKCKMZLADMVLY-UHFFFAOYSA-N -1 0 309.351 -0.049 20 0 DBADRM C[C@H](CNC(=O)c1ncccn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592706856 1016753900 /nfs/dbraw/zinc/75/39/00/1016753900.db2.gz YERKKDVQECHHJB-MRVPVSSYSA-N -1 0 302.294 -0.383 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438112981 1003351997 /nfs/dbraw/zinc/35/19/97/1003351997.db2.gz KEHGFMFNKLFRJU-QMMMGPOBSA-N -1 0 309.326 -0.989 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438193507 1003376113 /nfs/dbraw/zinc/37/61/13/1003376113.db2.gz XTPGZKLCVRCUSB-VHSXEESVSA-N -1 0 310.358 -0.885 20 0 DBADRM NC(=O)CC(=O)Nc1ccccc1-n1cnc(-c2nnn[n-]2)n1 ZINC001592724747 1016767712 /nfs/dbraw/zinc/76/77/12/1016767712.db2.gz REWBCYIMCYEDTR-UHFFFAOYSA-N -1 0 313.281 -0.739 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)c2ccccc2)c1[O-] ZINC001427891502 1003428731 /nfs/dbraw/zinc/42/87/31/1003428731.db2.gz LLBONAGBWNAXFK-LLVKDONJSA-N -1 0 318.333 -0.056 20 0 DBADRM NC(=O)CCn1ccc(NC(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001592727971 1016769762 /nfs/dbraw/zinc/76/97/62/1016769762.db2.gz DMGHWVKOWWCZOL-UHFFFAOYSA-N -1 0 316.281 -0.216 20 0 DBADRM NC(=O)N1CCC[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001592729393 1016770967 /nfs/dbraw/zinc/77/09/67/1016770967.db2.gz JSDWWWAIFNLTCY-QMMMGPOBSA-N -1 0 303.330 -0.719 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)Cc1nnc[nH]1 ZINC001592729675 1016774973 /nfs/dbraw/zinc/77/49/73/1016774973.db2.gz OWZSXCCTKICNGN-MRVPVSSYSA-N -1 0 319.325 -0.784 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1ccnnc1 ZINC001592730051 1016778064 /nfs/dbraw/zinc/77/80/64/1016778064.db2.gz RFZVFEBGHYEUKW-VIFPVBQESA-N -1 0 316.321 -0.041 20 0 DBADRM CC(CO)(CO)NC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001592733926 1016778829 /nfs/dbraw/zinc/77/88/29/1016778829.db2.gz LIPISCFLJPVRSG-UHFFFAOYSA-N -1 0 324.333 -0.498 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001592734202 1016781847 /nfs/dbraw/zinc/78/18/47/1016781847.db2.gz SPOJMIOUOGPXQD-ZJUUUORDSA-N -1 0 309.384 -0.460 20 0 DBADRM C[C@H](CNC(=O)c1c[n-]n2c1nccc2=O)NC(=O)C1CC1 ZINC001416781111 1003514773 /nfs/dbraw/zinc/51/47/73/1003514773.db2.gz HQDQCCLXOUQQQP-MRVPVSSYSA-N -1 0 303.322 -0.333 20 0 DBADRM C[C@@](CO)(NC(=O)C1CCC(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001592741880 1016783790 /nfs/dbraw/zinc/78/37/90/1016783790.db2.gz LBIAQBPKBLTBTL-KWPJZBAWSA-N -1 0 307.368 -0.458 20 0 DBADRM C[C@@](CO)(NC(=O)CN1CCc2ccccc2C1=O)C(=O)[O-] ZINC001592742795 1016784392 /nfs/dbraw/zinc/78/43/92/1016784392.db2.gz QWPDWTIAZOFSLG-HNNXBMFYSA-N -1 0 306.318 -0.363 20 0 DBADRM C[C@](CO)(NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC001592743447 1016784779 /nfs/dbraw/zinc/78/47/79/1016784779.db2.gz VTNCCIVCAPIXTK-MEBBXXQBSA-N -1 0 306.318 -0.009 20 0 DBADRM C[C@](CO)(NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2O)C(=O)[O-] ZINC001592743053 1016785647 /nfs/dbraw/zinc/78/56/47/1016785647.db2.gz AIIONXWFCIPYQE-IINYFYTJSA-N -1 0 310.306 -0.278 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2cncnc2)c1[O-] ZINC001416801610 1003537743 /nfs/dbraw/zinc/53/77/43/1003537743.db2.gz ALGMYVVUCLFYOX-SSDOTTSWSA-N -1 0 304.310 -0.238 20 0 DBADRM C[C@@](CO)(NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2O)C(=O)[O-] ZINC001592743057 1016786029 /nfs/dbraw/zinc/78/60/29/1016786029.db2.gz AIIONXWFCIPYQE-YGRLFVJLSA-N -1 0 310.306 -0.278 20 0 DBADRM C[C@@](CO)(NC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)[O-] ZINC001592742558 1016786164 /nfs/dbraw/zinc/78/61/64/1016786164.db2.gz PNDHDVDNYNMITM-HZMBPMFUSA-N -1 0 308.290 -0.272 20 0 DBADRM C[C@](CO)(NC(=O)C[C@H](NC(N)=O)c1cccs1)C(=O)[O-] ZINC001592742503 1016786558 /nfs/dbraw/zinc/78/65/58/1016786558.db2.gz PBHZKYFFCWJTCL-JVXZTZIISA-N -1 0 315.351 -0.201 20 0 DBADRM CCCC(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001428009202 1003551801 /nfs/dbraw/zinc/55/18/01/1003551801.db2.gz OCZYSHWELKPEGN-DTWKUNHWSA-N -1 0 311.342 -0.405 20 0 DBADRM CCCC(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001428009216 1003552293 /nfs/dbraw/zinc/55/22/93/1003552293.db2.gz OCZYSHWELKPEGN-RKDXNWHRSA-N -1 0 311.342 -0.405 20 0 DBADRM C[C@](CO)(NC(=O)CN1C(=O)COc2ccccc21)C(=O)[O-] ZINC001592744552 1016789818 /nfs/dbraw/zinc/78/98/18/1016789818.db2.gz ZLTUETDMBIKRCF-CQSZACIVSA-N -1 0 308.290 -0.636 20 0 DBADRM Cc1nc(CNC[C@H](C)N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)co1 ZINC001438664403 1003578385 /nfs/dbraw/zinc/57/83/85/1003578385.db2.gz PTDITBVAWMYBQD-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2cn[nH]n2)CN1C(=O)COCC(F)F ZINC001428077958 1003585608 /nfs/dbraw/zinc/58/56/08/1003585608.db2.gz PXHYUMAIYDMMKQ-YUMQZZPRSA-N -1 0 317.296 -0.194 20 0 DBADRM C[C@@H](CS(=O)(=O)NCCCCCS(C)(=O)=O)C(=O)[O-] ZINC001592807372 1016804490 /nfs/dbraw/zinc/80/44/90/1016804490.db2.gz DODRLLFPZLSRQO-VIFPVBQESA-N -1 0 315.413 -0.159 20 0 DBADRM C[C@H](CO)C1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001592756322 1016796747 /nfs/dbraw/zinc/79/67/47/1016796747.db2.gz VFGWPBFAIHVZGA-JLLWLGSASA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H](CO)C1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001592756324 1016798709 /nfs/dbraw/zinc/79/87/09/1016798709.db2.gz VFGWPBFAIHVZGA-ZMLRMANQSA-N -1 0 312.366 -0.167 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N[C@](C)(CO)C(=O)[O-] ZINC001592756216 1016799076 /nfs/dbraw/zinc/79/90/76/1016799076.db2.gz SYNKVIBDNHLEPC-LZVRBXCZSA-N -1 0 316.401 -0.447 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@H]2OCCNC(=O)[C@@H]21)C(=O)[O-] ZINC001592799710 1016804676 /nfs/dbraw/zinc/80/46/76/1016804676.db2.gz ZHOXKOLSQQATHW-OPRDCNLKSA-N -1 0 320.367 -0.984 20 0 DBADRM C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001592771363 1016799905 /nfs/dbraw/zinc/79/99/05/1016799905.db2.gz DNGQJTSSHHQARI-MMWGEVLESA-N -1 0 314.338 -0.724 20 0 DBADRM C[C@@H](CS(=O)(=O)Cc1nnnn1CC(F)(F)F)C(=O)[O-] ZINC001592787894 1016800096 /nfs/dbraw/zinc/80/00/96/1016800096.db2.gz LIOROWDOKKOPBQ-YFKPBYRVSA-N -1 0 316.261 -0.129 20 0 DBADRM Nc1ccnn1CC(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001592760838 1016800313 /nfs/dbraw/zinc/80/03/13/1016800313.db2.gz NOVMQTDGWZIEPN-UHFFFAOYSA-N -1 0 300.282 -0.244 20 0 DBADRM C[C@H](CO)NC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001592762509 1016800612 /nfs/dbraw/zinc/80/06/12/1016800612.db2.gz SKUPKAWIWTZPPB-SECBINFHSA-N -1 0 310.306 -0.024 20 0 DBADRM C[C@H](COCC(F)(F)F)NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001592769213 1016801006 /nfs/dbraw/zinc/80/10/06/1016801006.db2.gz LENDKDCYDYERIH-ZCFIWIBFSA-N -1 0 300.233 -0.205 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCOC[C@H]1[C@@H]1CCCO1)C(=O)[O-] ZINC001592799912 1016804731 /nfs/dbraw/zinc/80/47/31/1016804731.db2.gz HHJXUOCYFMEXJR-VWYCJHECSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@H](CS(=O)(=O)N1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C)C(=O)[O-] ZINC001592789019 1016802263 /nfs/dbraw/zinc/80/22/63/1016802263.db2.gz ALJKGYLAHBDZSI-UTINFBMNSA-N -1 0 306.384 -0.024 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C)C(=O)[O-] ZINC001592789126 1016802351 /nfs/dbraw/zinc/80/23/51/1016802351.db2.gz DREARHNHLMOBBL-MXWKQRLJSA-N -1 0 308.400 -0.576 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[C@@H](n2ccnn2)C1)C(=O)[O-] ZINC001592799179 1016802383 /nfs/dbraw/zinc/80/23/83/1016802383.db2.gz SUVIKFVPWXXJHT-VHSXEESVSA-N -1 0 302.356 -0.035 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@H](O)CC2(CCOCC2)C1)C(=O)[O-] ZINC001592789520 1016802476 /nfs/dbraw/zinc/80/24/76/1016802476.db2.gz ITINZKIIUKJWIZ-GHMZBOCLSA-N -1 0 321.395 -0.100 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@H](n2ccnn2)C1)C(=O)[O-] ZINC001592799180 1016802516 /nfs/dbraw/zinc/80/25/16/1016802516.db2.gz SUVIKFVPWXXJHT-ZJUUUORDSA-N -1 0 302.356 -0.035 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)C(=O)[O-] ZINC001592789696 1016802654 /nfs/dbraw/zinc/80/26/54/1016802654.db2.gz MQDDMGGEDYZWGK-KATARQTJSA-N -1 0 304.368 -0.377 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@@H](N2CCOCC2)C1)C(=O)[O-] ZINC001592798928 1016802676 /nfs/dbraw/zinc/80/26/76/1016802676.db2.gz RUIMMJXLCMYCMN-VXGBXAGGSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC[C@H](NC(=O)NC2CC2)C1)C(=O)[O-] ZINC001592798268 1016802714 /nfs/dbraw/zinc/80/27/14/1016802714.db2.gz NCSVLPVFGMIUGX-WPRPVWTQSA-N -1 0 319.383 -0.427 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)Cc2ccn(C)n2)c1[O-] ZINC001495958131 1016802775 /nfs/dbraw/zinc/80/27/75/1016802775.db2.gz RVWRANZNWWEROW-UHFFFAOYSA-N -1 0 320.353 -0.412 20 0 DBADRM C[C@H](CS(=O)(=O)N1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C)C(=O)[O-] ZINC001592789018 1016802738 /nfs/dbraw/zinc/80/27/38/1016802738.db2.gz ALJKGYLAHBDZSI-DOLQZWNJSA-N -1 0 306.384 -0.024 20 0 DBADRM O=C(/C=C\[C@H]1CCOC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592795219 1016802806 /nfs/dbraw/zinc/80/28/06/1016802806.db2.gz PEXXXVITICQBNU-IYABHPQVSA-N -1 0 304.314 -0.833 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)C(=O)[O-] ZINC001592798266 1016803284 /nfs/dbraw/zinc/80/32/84/1016803284.db2.gz NCSVLPVFGMIUGX-WCBMZHEXSA-N -1 0 319.383 -0.427 20 0 DBADRM C[C@@H](CS(=O)(=O)NC[C@H](CO)Cc1cccnc1)C(=O)[O-] ZINC001592807379 1016803882 /nfs/dbraw/zinc/80/38/82/1016803882.db2.gz DWJBUQSBARAPSI-CMPLNLGQSA-N -1 0 316.379 -0.127 20 0 DBADRM C[C@@H](CS(=O)(=O)NC[C@@H](CO)Cc1cccnc1)C(=O)[O-] ZINC001592807380 1016804057 /nfs/dbraw/zinc/80/40/57/1016804057.db2.gz DWJBUQSBARAPSI-JQWIXIFHSA-N -1 0 316.379 -0.127 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@H]1CCOC12CCOCC2)C(=O)[O-] ZINC001592806245 1016804329 /nfs/dbraw/zinc/80/43/29/1016804329.db2.gz FPWYMZABHPTXSN-UWVGGRQHSA-N -1 0 307.368 -0.035 20 0 DBADRM C[C@@H](CS(=O)(=O)NCc1nnnn1CC1CC1)C(=O)[O-] ZINC001592815870 1016805318 /nfs/dbraw/zinc/80/53/18/1016805318.db2.gz KZBNUKFVKFVNOR-ZETCQYMHSA-N -1 0 303.344 -0.777 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001592816219 1016805432 /nfs/dbraw/zinc/80/54/32/1016805432.db2.gz PAJIBFSDECAYIU-LPEHRKFASA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001592814407 1016806072 /nfs/dbraw/zinc/80/60/72/1016806072.db2.gz QWSPIKLNOHYUQE-ZETCQYMHSA-N -1 0 316.339 -0.960 20 0 DBADRM C[C@@H](CS(=O)(=O)NCC1(N2CCOCC2)CC1)C(=O)[O-] ZINC001592809408 1016806127 /nfs/dbraw/zinc/80/61/27/1016806127.db2.gz QQSIIHMLNABSNE-JTQLQIEISA-N -1 0 306.384 -0.509 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001592815607 1016806596 /nfs/dbraw/zinc/80/65/96/1016806596.db2.gz JYBJRRKZFFFIEU-QMMMGPOBSA-N -1 0 303.340 -0.527 20 0 DBADRM C[C@H](CS(=O)(=O)NC[C@@H](CO)c1cccnc1)C(=O)[O-] ZINC001592808864 1016806738 /nfs/dbraw/zinc/80/67/38/1016806738.db2.gz NATXWKQMYSDDHL-KOLCDFICSA-N -1 0 302.352 -0.202 20 0 DBADRM O=C(Cc1ccsc1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592928240 1016816325 /nfs/dbraw/zinc/81/63/25/1016816325.db2.gz SXINRXFWTLDBJC-UHFFFAOYSA-N -1 0 304.339 -0.121 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001592822285 1016807870 /nfs/dbraw/zinc/80/78/70/1016807870.db2.gz JUKOCHGBOIVKGS-FTYKJHSRSA-N -1 0 304.368 -0.951 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001592925633 1016816364 /nfs/dbraw/zinc/81/63/64/1016816364.db2.gz GVUPZOZTPRCDIZ-QMMMGPOBSA-N -1 0 320.309 -0.542 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001592822071 1016808146 /nfs/dbraw/zinc/80/81/46/1016808146.db2.gz DQZPWTSBMWAZTP-SQFXPLBJSA-N -1 0 307.372 -0.966 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001592822913 1016808526 /nfs/dbraw/zinc/80/85/26/1016808526.db2.gz WKCVQPFGDZRHOO-SNGHESPRSA-N -1 0 304.368 -0.807 20 0 DBADRM O=C(C[C@@H]1CCOC1)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001592826393 1016808694 /nfs/dbraw/zinc/80/86/94/1016808694.db2.gz YLTREQCWUUGHBC-VIFPVBQESA-N -1 0 318.341 -0.967 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001592822325 1016808784 /nfs/dbraw/zinc/80/87/84/1016808784.db2.gz KMCJBHWOXPYUKZ-WODJRTHDSA-N -1 0 315.351 -0.455 20 0 DBADRM O=C(CNc1ccc(-c2nn[nH]n2)cc1)NCc1nc(=O)o[n-]1 ZINC001592876268 1016810257 /nfs/dbraw/zinc/81/02/57/1016810257.db2.gz IQZHMXBBZCOJDE-UHFFFAOYSA-N -1 0 316.281 -0.729 20 0 DBADRM O=C(COc1ccc(F)nc1-c1nnn[n-]1)N1CCOCC1 ZINC001592893245 1016812602 /nfs/dbraw/zinc/81/26/02/1016812602.db2.gz DWWVFLJINPANKN-UHFFFAOYSA-N -1 0 308.273 -0.362 20 0 DBADRM CCn1ccnc1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001438868714 1003703414 /nfs/dbraw/zinc/70/34/14/1003703414.db2.gz WIBVBGSTODGWSK-UHFFFAOYSA-N -1 0 307.358 -0.069 20 0 DBADRM O=C(CSC(F)F)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592902016 1016813963 /nfs/dbraw/zinc/81/39/63/1016813963.db2.gz PXSILIZKQBEVMW-UHFFFAOYSA-N -1 0 304.286 -0.470 20 0 DBADRM CCN1C[C@H](C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001438873610 1003709410 /nfs/dbraw/zinc/70/94/10/1003709410.db2.gz OGLGWZBTIDSMBC-SNVBAGLBSA-N -1 0 324.385 -0.731 20 0 DBADRM Cc1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[nH]c(=O)n1 ZINC001416961681 1003717163 /nfs/dbraw/zinc/71/71/63/1003717163.db2.gz GGLRSDYMXBGWQC-UHFFFAOYSA-N -1 0 301.266 -0.486 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NN1C[C@H]2CCC[C@@H]2C1 ZINC001592941486 1016821443 /nfs/dbraw/zinc/82/14/43/1016821443.db2.gz AYQPWZCLBOWZBB-RKDXNWHRSA-N -1 0 303.330 -0.779 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NN1C[C@@H]2CCC[C@H]2C1 ZINC001592941485 1016822091 /nfs/dbraw/zinc/82/20/91/1016822091.db2.gz AYQPWZCLBOWZBB-IUCAKERBSA-N -1 0 303.330 -0.779 20 0 DBADRM O=C(Cc1ccccc1)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001592924081 1016817432 /nfs/dbraw/zinc/81/74/32/1016817432.db2.gz OWJPQKRMAUCYOA-UHFFFAOYSA-N -1 0 324.348 -0.151 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)[C@@H]1CCc2nncn2C1)C(=O)[O-] ZINC001592917932 1016817514 /nfs/dbraw/zinc/81/75/14/1016817514.db2.gz VWIVQSZQICQXDF-YGRLFVJLSA-N -1 0 318.337 -0.303 20 0 DBADRM C[C@H](Cn1cncn1)NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001592930872 1016818810 /nfs/dbraw/zinc/81/88/10/1016818810.db2.gz YRDDHUQPBHBBPA-MRVPVSSYSA-N -1 0 311.323 -0.262 20 0 DBADRM O=C(Cn1cc(Cl)cn1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592938042 1016819029 /nfs/dbraw/zinc/81/90/29/1016819029.db2.gz YMKJFQZZPNFFPA-UHFFFAOYSA-N -1 0 322.720 -0.876 20 0 DBADRM C[C@@](Cn1cnc2ccccc21)(NC(=O)CC(N)=O)C(=O)[O-] ZINC001592931135 1016819400 /nfs/dbraw/zinc/81/94/00/1016819400.db2.gz RQMBTOXNABQELM-AWEZNQCLSA-N -1 0 304.306 -0.129 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CCCSC1 ZINC001592934325 1016819789 /nfs/dbraw/zinc/81/97/89/1016819789.db2.gz JMRKRSWCXVJWFP-UHFFFAOYSA-N -1 0 323.338 -0.948 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCO[C@H](C2CC2)C1 ZINC001592939613 1016820143 /nfs/dbraw/zinc/82/01/43/1016820143.db2.gz FYRRQDGPOKZVNF-VIFPVBQESA-N -1 0 304.314 -0.904 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1C[C@H]1C(F)(F)F ZINC001592940815 1016820618 /nfs/dbraw/zinc/82/06/18/1016820618.db2.gz AKHFPQCVLKOHKL-NTSWFWBYSA-N -1 0 316.247 -0.227 20 0 DBADRM CC[C@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001428273325 1003812230 /nfs/dbraw/zinc/81/22/30/1003812230.db2.gz XVDKXZTVWLTURA-XHNCKOQMSA-N -1 0 311.342 -0.501 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccccn1 ZINC001592970107 1016827705 /nfs/dbraw/zinc/82/77/05/1016827705.db2.gz CAOVACOBBWZWED-KOLCDFICSA-N -1 0 307.306 -0.429 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ncnn1C ZINC001592981504 1016827780 /nfs/dbraw/zinc/82/77/80/1016827780.db2.gz VDLTXQMPKRXSFL-HRDYMLBCSA-N -1 0 309.326 -0.829 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3cn[nH]c3)CC2)c1[O-] ZINC001417108955 1003820546 /nfs/dbraw/zinc/82/05/46/1003820546.db2.gz KGGQENDRUNFABV-UHFFFAOYSA-N -1 0 304.310 -0.161 20 0 DBADRM CC[C@@H](F)C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001417173920 1003836960 /nfs/dbraw/zinc/83/69/60/1003836960.db2.gz GABPDSRBQWNNSQ-ZCFIWIBFSA-N -1 0 313.289 -0.591 20 0 DBADRM CC1(C(=O)NC2(CNC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)CC1 ZINC001417175077 1003837539 /nfs/dbraw/zinc/83/75/39/1003837539.db2.gz RLZXOLZULGDNRF-UHFFFAOYSA-N -1 0 307.310 -0.539 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)CCCF)C1 ZINC001417260276 1003856536 /nfs/dbraw/zinc/85/65/36/1003856536.db2.gz GEXFXJRLDHTQLS-UHFFFAOYSA-N -1 0 315.305 -0.892 20 0 DBADRM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001593011098 1016831270 /nfs/dbraw/zinc/83/12/70/1016831270.db2.gz NILYCYHPPKSBNR-YMTOWFKASA-N -1 0 300.355 -0.025 20 0 DBADRM O=C(NCC1(O)CCOCC1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001593021011 1016832111 /nfs/dbraw/zinc/83/21/11/1016832111.db2.gz OTKUQXIJGBWNBP-UHFFFAOYSA-N -1 0 319.321 -0.156 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1OCCN(C)C1=O)c1ncc(C(=O)[O-])s1 ZINC001593008829 1016832281 /nfs/dbraw/zinc/83/22/81/1016832281.db2.gz JNCPVFTXIIPDBN-SVRRBLITSA-N -1 0 313.335 -0.124 20 0 DBADRM C[C@H](NC(=O)CCc1ocnc1C(=O)[O-])C(=O)NCCF ZINC001593020106 1016832541 /nfs/dbraw/zinc/83/25/41/1016832541.db2.gz UXTGQVHOGQOPIM-ZETCQYMHSA-N -1 0 301.274 -0.104 20 0 DBADRM Cn1ncc(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)cc1=O ZINC001417585025 1003892921 /nfs/dbraw/zinc/89/29/21/1003892921.db2.gz UFMBQXPCCCVIKJ-UHFFFAOYSA-N -1 0 323.334 -0.201 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001417605605 1003896093 /nfs/dbraw/zinc/89/60/93/1003896093.db2.gz CZNBQHYHUJAFEP-MRVPVSSYSA-N -1 0 319.321 -0.479 20 0 DBADRM C[C@@](NC(=O)CN1CCNC(=O)C1)(C(=O)[O-])c1ccccc1 ZINC001593027338 1016834502 /nfs/dbraw/zinc/83/45/02/1016834502.db2.gz ABKRRXGTEOCVQB-HNNXBMFYSA-N -1 0 305.334 -0.466 20 0 DBADRM CN(C)c1nc(CCNC(=O)c2n[nH]c(=O)[n-]c2=O)cs1 ZINC001417630498 1003915957 /nfs/dbraw/zinc/91/59/57/1003915957.db2.gz VDJQPMQZCLNITM-UHFFFAOYSA-N -1 0 310.339 -0.222 20 0 DBADRM C[C@@H](NC(=O)COC(=O)c1cccc(C(=O)[O-])n1)C(=O)N(C)C ZINC001593029254 1016834995 /nfs/dbraw/zinc/83/49/95/1016834995.db2.gz BMRPVDFDHKLSKL-MRVPVSSYSA-N -1 0 323.305 -0.471 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001417636468 1003926395 /nfs/dbraw/zinc/92/63/95/1003926395.db2.gz ZVARBBJREDQANT-UWVGGRQHSA-N -1 0 308.342 -0.501 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001592991378 1016829672 /nfs/dbraw/zinc/82/96/72/1016829672.db2.gz QKFJKNKCVGJDMR-GUBZILKMSA-N -1 0 300.355 -0.026 20 0 DBADRM O=C(COCc1cc[nH]c(=O)c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001417636372 1003929992 /nfs/dbraw/zinc/92/99/92/1003929992.db2.gz YBIFOJGNRJRBJS-JTQLQIEISA-N -1 0 320.309 -0.583 20 0 DBADRM CCOC(=O)[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001417639069 1003931014 /nfs/dbraw/zinc/93/10/14/1003931014.db2.gz TUBZCJKYCBVPHB-JTQLQIEISA-N -1 0 312.326 -0.073 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(N2CCCC2=O)CC1 ZINC001417639953 1003932745 /nfs/dbraw/zinc/93/27/45/1003932745.db2.gz UOSSWWSVFPJELW-UHFFFAOYSA-N -1 0 307.310 -0.490 20 0 DBADRM C[C@H](NC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)c1nncn1C ZINC001593062801 1016835577 /nfs/dbraw/zinc/83/55/77/1016835577.db2.gz IEWYWBSBQLXSSE-SDBXPKJASA-N -1 0 322.325 -0.109 20 0 DBADRM COC[C@@](C)(CC(=O)OC)NC(=O)c1c[n-]n2c1nccc2=O ZINC001417656167 1003944977 /nfs/dbraw/zinc/94/49/77/1003944977.db2.gz ZADSJDCQZXRVJU-CQSZACIVSA-N -1 0 322.321 -0.279 20 0 DBADRM C[C@H](NC(=O)Cn1nc(C(=O)[O-])nc1Cl)C(=O)N(C)C ZINC001593051508 1016835906 /nfs/dbraw/zinc/83/59/06/1016835906.db2.gz TYNOPDQXPHELCI-YFKPBYRVSA-N -1 0 303.706 -0.777 20 0 DBADRM COC[C@](C)(CC(=O)OC)NC(=O)c1c[n-]n2c1nccc2=O ZINC001417656166 1003946793 /nfs/dbraw/zinc/94/67/93/1003946793.db2.gz ZADSJDCQZXRVJU-AWEZNQCLSA-N -1 0 322.321 -0.279 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC001417668408 1003953717 /nfs/dbraw/zinc/95/37/17/1003953717.db2.gz GNWXFPAWPBIEOQ-QMMMGPOBSA-N -1 0 303.278 -0.701 20 0 DBADRM Cc1ccnc(N(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001417677200 1003960480 /nfs/dbraw/zinc/96/04/80/1003960480.db2.gz JLFRUGAQGLHHJD-UHFFFAOYSA-N -1 0 307.314 -0.960 20 0 DBADRM CN(C)C(=O)NCCN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001417681503 1003964926 /nfs/dbraw/zinc/96/49/26/1003964926.db2.gz RVTGEVMRHZXXTQ-UHFFFAOYSA-N -1 0 314.346 -0.801 20 0 DBADRM O=C(CNC(=O)N1CCCC1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001417689011 1003971935 /nfs/dbraw/zinc/97/19/35/1003971935.db2.gz MFYLSWWZLARLCL-SNVBAGLBSA-N -1 0 307.358 -0.289 20 0 DBADRM CN1C[C@H](NC(=O)c2nc[n-]c(=O)c2Br)C(=O)N1 ZINC001417693128 1003977140 /nfs/dbraw/zinc/97/71/40/1003977140.db2.gz CGIPETOIDDZBEL-BYPYZUCNSA-N -1 0 316.115 -0.980 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1cccn(C(C)(C)C)c1=O ZINC001439418178 1003981237 /nfs/dbraw/zinc/98/12/37/1003981237.db2.gz XTDISOUUVZSURA-UHFFFAOYSA-N -1 0 320.353 -0.090 20 0 DBADRM COC(=O)c1ccn(CC(=O)N(C)C[C@@H](C)c2nnn[n-]2)n1 ZINC001417705131 1003988213 /nfs/dbraw/zinc/98/82/13/1003988213.db2.gz RNSNQGUTIQNXRP-MRVPVSSYSA-N -1 0 307.314 -0.555 20 0 DBADRM CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCCc1nnn[n-]1 ZINC001417712318 1003996308 /nfs/dbraw/zinc/99/63/08/1003996308.db2.gz DVOWNXSASSAADB-LBPRGKRZSA-N -1 0 316.365 -0.004 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1CCC[C@@H](c3nnn[n-]3)C1)CC2 ZINC001417722038 1004005474 /nfs/dbraw/zinc/00/54/74/1004005474.db2.gz TVTUFYUPNGOMSV-VHSXEESVSA-N -1 0 316.369 -0.161 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)[C@@H]1CC12CCC2 ZINC001593089930 1016840820 /nfs/dbraw/zinc/84/08/20/1016840820.db2.gz AJHBKQAZCOWWOY-VIFPVBQESA-N -1 0 314.353 -0.203 20 0 DBADRM COc1c[nH]c(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cc1=O ZINC001417725782 1004007487 /nfs/dbraw/zinc/00/74/87/1004007487.db2.gz JDVIFPVZPZFFOU-UHFFFAOYSA-N -1 0 320.309 -0.980 20 0 DBADRM CS(=O)(=O)[C@H]1CCCCN(C(=O)CCc2nnn[n-]2)C1 ZINC001417730085 1004009264 /nfs/dbraw/zinc/00/92/64/1004009264.db2.gz FDVKFYHWPRYPDR-VIFPVBQESA-N -1 0 301.372 -0.442 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)Cc1cncn1C ZINC001417749078 1004020818 /nfs/dbraw/zinc/02/08/18/1004020818.db2.gz SHVHOCCDYBCENB-SNVBAGLBSA-N -1 0 319.369 -0.481 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ncc(F)cc1F ZINC001593112651 1016845786 /nfs/dbraw/zinc/84/57/86/1016845786.db2.gz PGDLLOJMRXLTKX-UHFFFAOYSA-N -1 0 321.251 -0.439 20 0 DBADRM CCC(CC)(NC(=O)[C@@H]1CC(=O)N(CCOC)C1)c1nnn[n-]1 ZINC001417773993 1004031562 /nfs/dbraw/zinc/03/15/62/1004031562.db2.gz MKFXLJABZVVNBX-SNVBAGLBSA-N -1 0 324.385 -0.174 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccnc(F)c1F ZINC001593112356 1016845873 /nfs/dbraw/zinc/84/58/73/1016845873.db2.gz JOULRACSRWCCRN-UHFFFAOYSA-N -1 0 321.251 -0.439 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)C1(F)CCOCC1 ZINC001593110450 1016845958 /nfs/dbraw/zinc/84/59/58/1016845958.db2.gz ZFMCXLBPZUOXJJ-UHFFFAOYSA-N -1 0 310.293 -0.907 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccncc1Cl ZINC001593113031 1016845971 /nfs/dbraw/zinc/84/59/71/1016845971.db2.gz VPCFDDXTHLJWMO-UHFFFAOYSA-N -1 0 319.716 -0.063 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NC1CCSCC1 ZINC001593111226 1016846124 /nfs/dbraw/zinc/84/61/24/1016846124.db2.gz LGRUKVLYRNOURF-UHFFFAOYSA-N -1 0 323.386 -0.347 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cnc2n1CCC2 ZINC001593113051 1016846709 /nfs/dbraw/zinc/84/67/09/1016846709.db2.gz WORSBLPBUUQLBJ-UHFFFAOYSA-N -1 0 314.313 -0.969 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@H](C)N1CCOCC1 ZINC001593141001 1016847608 /nfs/dbraw/zinc/84/76/08/1016847608.db2.gz CFTMMKQHTKJESD-KXNHARMFSA-N -1 0 300.355 -0.156 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)c1ccccn1 ZINC001593091224 1016841752 /nfs/dbraw/zinc/84/17/52/1016841752.db2.gz WSENDLIYRJIHEK-UHFFFAOYSA-N -1 0 311.309 -0.685 20 0 DBADRM C[C@H](NC(=O)Nc1nn(C)cc1C(=O)[O-])[C@@H]1CN(C)CCO1 ZINC001593125319 1016848124 /nfs/dbraw/zinc/84/81/24/1016848124.db2.gz QDSFCOVRLPGYJY-WPRPVWTQSA-N -1 0 311.342 -0.041 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@H]1CC12CCOCC2 ZINC001593109457 1016842510 /nfs/dbraw/zinc/84/25/10/1016842510.db2.gz KYJZEQROWCKBPZ-SECBINFHSA-N -1 0 318.341 -0.609 20 0 DBADRM CCn1cc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC001439601203 1004066541 /nfs/dbraw/zinc/06/65/41/1004066541.db2.gz XTBXZVKNKGYCDN-UHFFFAOYSA-N -1 0 305.342 -0.221 20 0 DBADRM C[C@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)c1ncnn1C ZINC001593099590 1016843480 /nfs/dbraw/zinc/84/34/80/1016843480.db2.gz VLZVFTALGZSUKF-ZETCQYMHSA-N -1 0 308.302 -0.835 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001439629435 1004077390 /nfs/dbraw/zinc/07/73/90/1004077390.db2.gz NFZNYQBRHBHVEL-VIFPVBQESA-N -1 0 322.369 -0.693 20 0 DBADRM C[C@H](C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001439646287 1004080698 /nfs/dbraw/zinc/08/06/98/1004080698.db2.gz HLEHUQMPEOWFSO-DTWKUNHWSA-N -1 0 322.369 -0.837 20 0 DBADRM CCOC(=O)N1CSC[C@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC001417884609 1004086981 /nfs/dbraw/zinc/08/69/81/1004086981.db2.gz ZBRZVQBYGPPWTM-YFKPBYRVSA-N -1 0 303.300 -0.709 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)Nn2c(=O)[n-][nH]c2=O)C1 ZINC001417883694 1004087269 /nfs/dbraw/zinc/08/72/69/1004087269.db2.gz JLNITVVCMWCCRG-SSDOTTSWSA-N -1 0 313.314 -0.967 20 0 DBADRM Cc1nc(CNC2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)co1 ZINC001439668103 1004089387 /nfs/dbraw/zinc/08/93/87/1004089387.db2.gz UTRSOPDIKVRQTH-UHFFFAOYSA-N -1 0 322.325 -0.576 20 0 DBADRM C[C@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)c1nnc2c(=O)[nH]ccn21 ZINC001593145743 1016848534 /nfs/dbraw/zinc/84/85/34/1016848534.db2.gz HOTQKUMBUVGNFH-LURJTMIESA-N -1 0 316.277 -0.065 20 0 DBADRM COCC(=O)N[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001417927821 1004115667 /nfs/dbraw/zinc/11/56/67/1004115667.db2.gz MIWGGOIZPLKEQS-JTQLQIEISA-N -1 0 305.338 -0.641 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC001439794563 1004119866 /nfs/dbraw/zinc/11/98/66/1004119866.db2.gz IGUFSTHQKLFHHT-UHFFFAOYSA-N -1 0 313.314 -0.973 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)c1ccnc(-c2nn[nH]n2)c1 ZINC001593171867 1016849555 /nfs/dbraw/zinc/84/95/55/1016849555.db2.gz AZXVPIUCTOSMBD-UHFFFAOYSA-N -1 0 320.294 -0.897 20 0 DBADRM Cc1cnn(CC(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001439832515 1004125358 /nfs/dbraw/zinc/12/53/58/1004125358.db2.gz LYAYVVCYAZMIAE-AWEZNQCLSA-N -1 0 319.369 -0.204 20 0 DBADRM O=C([N-]S(=O)(=O)CCCF)c1ccc(-c2nn[nH]n2)o1 ZINC001593173534 1016850135 /nfs/dbraw/zinc/85/01/35/1016850135.db2.gz VPLGBRMOERKSJN-UHFFFAOYSA-N -1 0 303.275 -0.121 20 0 DBADRM C[C@@H](NC(=O)c1ccnn1C)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593181148 1016850362 /nfs/dbraw/zinc/85/03/62/1016850362.db2.gz HXMDWZQBPKOGAB-DTWKUNHWSA-N -1 0 318.337 -0.051 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H](C)NC(=O)c1cncn1C ZINC001593184439 1016853471 /nfs/dbraw/zinc/85/34/71/1016853471.db2.gz CFZWOUGDOOKGPN-BDAKNGLRSA-N -1 0 318.337 -0.051 20 0 DBADRM C[C@](NC(=O)c1ccc(S(N)(=O)=O)nc1)(C(=O)[O-])C1CC1 ZINC001593173452 1016850529 /nfs/dbraw/zinc/85/05/29/1016850529.db2.gz ULZFGFZBTYZDEP-GFCCVEGCSA-N -1 0 313.335 -0.288 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1cc(-c2nn[nH]n2)cs1 ZINC001593272066 1016857219 /nfs/dbraw/zinc/85/72/19/1016857219.db2.gz OVGFVRYNYSAYGB-UHFFFAOYSA-N -1 0 305.279 -0.426 20 0 DBADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(-c3nn[nH]n3)cn2)O1 ZINC001593275764 1016857263 /nfs/dbraw/zinc/85/72/63/1016857263.db2.gz XIBFGFXXEDFDJQ-NXEZZACHSA-N -1 0 318.293 -0.490 20 0 DBADRM O=C([O-])/C=C\CNS(=O)(=O)Cc1ccccc1-c1nn[nH]n1 ZINC001593276687 1016857577 /nfs/dbraw/zinc/85/75/77/1016857577.db2.gz NTJKBLOFBKTGPL-UTCJRWHESA-N -1 0 323.334 -0.073 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](CO)c1ccc(F)cc1 ZINC001418017324 1004164007 /nfs/dbraw/zinc/16/40/07/1004164007.db2.gz ODZXRCWUYBDERF-VIFPVBQESA-N -1 0 310.285 -0.279 20 0 DBADRM C[C@@H](NS(=O)(=O)CCCC(=O)[O-])[C@H]1CN(C)CCN1C ZINC001593318618 1016859247 /nfs/dbraw/zinc/85/92/47/1016859247.db2.gz DMMQNTHWUIMUES-GHMZBOCLSA-N -1 0 307.416 -0.595 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)Cc1ccc(-c2nn[nH]n2)nc1 ZINC001593279052 1016856765 /nfs/dbraw/zinc/85/67/65/1016856765.db2.gz OKBDLDKEMGBFTL-SNVBAGLBSA-N -1 0 302.294 -0.120 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001593276731 1016857049 /nfs/dbraw/zinc/85/70/49/1016857049.db2.gz PCZZEZMDEZJIBC-LLVKDONJSA-N -1 0 317.305 -0.279 20 0 DBADRM C[C@](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)(C(=O)[O-])C1CC1 ZINC001593319125 1016859929 /nfs/dbraw/zinc/85/99/29/1016859929.db2.gz MZUBVDRHCOOFCZ-GXFFZTMASA-N -1 0 316.379 -0.078 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC001593347409 1016865418 /nfs/dbraw/zinc/86/54/18/1016865418.db2.gz JSTMZBKXCZCKCB-XKNYDFJKSA-N -1 0 304.368 -0.364 20 0 DBADRM Cc1ncccc1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001440075509 1004241800 /nfs/dbraw/zinc/24/18/00/1004241800.db2.gz XXKDNQOLTGBOMZ-UHFFFAOYSA-N -1 0 318.337 -0.810 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ncccc1F ZINC001440081597 1004243670 /nfs/dbraw/zinc/24/36/70/1004243670.db2.gz GBJSNRAYSDKCLG-UHFFFAOYSA-N -1 0 322.300 -0.979 20 0 DBADRM C[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CN(C)CCN1C ZINC001593325883 1016861366 /nfs/dbraw/zinc/86/13/66/1016861366.db2.gz MTUVYOMSTYLHJK-NNYUYHANSA-N -1 0 319.427 -0.597 20 0 DBADRM C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)c1nccc(N)n1 ZINC001593320204 1016861756 /nfs/dbraw/zinc/86/17/56/1016861756.db2.gz WAYJWDDAPDMYHO-SSDOTTSWSA-N -1 0 300.340 -0.096 20 0 DBADRM C[C@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)[C@H]1CN(C)CCN1C ZINC001593320803 1016861961 /nfs/dbraw/zinc/86/19/61/1016861961.db2.gz ZEILNESHVHJUIG-WDEREUQCSA-N -1 0 319.427 -0.453 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](CF)C(=O)[O-] ZINC001593344698 1016862557 /nfs/dbraw/zinc/86/25/57/1016862557.db2.gz FGPYMXGYWQGTFN-RQJHMYQMSA-N -1 0 324.355 -0.046 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC001593347146 1016863441 /nfs/dbraw/zinc/86/34/41/1016863441.db2.gz BINCVKWCAPSCEV-QMMMGPOBSA-N -1 0 315.351 -0.324 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CC(n2ccnn2)C1 ZINC001593335640 1016863476 /nfs/dbraw/zinc/86/34/76/1016863476.db2.gz RSCNZRWAELGRSL-UHFFFAOYSA-N -1 0 312.293 -0.139 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)c1ncnn1C ZINC001593345894 1016863665 /nfs/dbraw/zinc/86/36/65/1016863665.db2.gz RUYIUHGOJBYTFT-SSDOTTSWSA-N -1 0 311.323 -0.052 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCOC[C@H]1CCO ZINC001593334911 1016863747 /nfs/dbraw/zinc/86/37/47/1016863747.db2.gz GMEJEVKDNVGCOV-SNVBAGLBSA-N -1 0 319.321 -0.204 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001593366884 1016865167 /nfs/dbraw/zinc/86/51/67/1016865167.db2.gz HQZPQMODGNMJSX-BDAKNGLRSA-N -1 0 321.337 -0.879 20 0 DBADRM O=C(c1cccc(F)c1-c1nn[nH]n1)N1C[C@H](O)[C@@H](CO)C1 ZINC001593350688 1016866630 /nfs/dbraw/zinc/86/66/30/1016866630.db2.gz PSXZDHQDZGAMRB-XCBNKYQSSA-N -1 0 307.285 -0.569 20 0 DBADRM O=C(c1ccsc1-c1nn[nH]n1)N1CC[C@H](O)[C@H](CO)C1 ZINC001593361924 1016866663 /nfs/dbraw/zinc/86/66/63/1016866663.db2.gz BRVSZPQJUDKHSE-CBAPKCEASA-N -1 0 309.351 -0.257 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CC[C@H](O)[C@H](CO)C1 ZINC001593348371 1016866697 /nfs/dbraw/zinc/86/66/97/1016866697.db2.gz VFLWIFRQLAYYLZ-KWQFWETISA-N -1 0 304.310 -0.923 20 0 DBADRM O=C(N[C@H]1CCc2cc(-c3nn[nH]n3)ccc21)c1cc(=O)[nH][n-]1 ZINC001593381995 1016867906 /nfs/dbraw/zinc/86/79/06/1016867906.db2.gz SCQJCCVZIOHZEN-JTQLQIEISA-N -1 0 311.305 -0.154 20 0 DBADRM O=C(N[C@@H](CO)CCF)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001418366067 1004361840 /nfs/dbraw/zinc/36/18/40/1004361840.db2.gz SOPVGVIXPFBRDR-SECBINFHSA-N -1 0 310.285 -0.284 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001418388906 1004369419 /nfs/dbraw/zinc/36/94/19/1004369419.db2.gz XFGKBMQXMZXIGT-ZJUUUORDSA-N -1 0 323.353 -0.403 20 0 DBADRM O=C1NCCN1C1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001593407307 1016877911 /nfs/dbraw/zinc/87/79/11/1016877911.db2.gz HADHRKLQWKQJLC-UHFFFAOYSA-N -1 0 315.341 -0.349 20 0 DBADRM C[C@](O)(CN1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC001593396724 1016873424 /nfs/dbraw/zinc/87/34/24/1016873424.db2.gz VNZFQXRKIGRTCI-BHNWBGBOSA-N -1 0 319.301 -0.271 20 0 DBADRM C[C@@](O)(CN1CCc2c(cccc2S(N)(=O)=O)C1)C(=O)[O-] ZINC001593396695 1016873756 /nfs/dbraw/zinc/87/37/56/1016873756.db2.gz UHZSIVITPLEQEQ-CYBMUJFWSA-N -1 0 314.363 -0.472 20 0 DBADRM C[C@](O)(CNC(=O)Cc1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC001593400685 1016874597 /nfs/dbraw/zinc/87/45/97/1016874597.db2.gz PWSVNZXMAMFMHB-ZDUSSCGKSA-N -1 0 315.347 -0.416 20 0 DBADRM COCc1cncc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)c1 ZINC001418471745 1004417891 /nfs/dbraw/zinc/41/78/91/1004417891.db2.gz ZMMXEUXRXLJKNI-UHFFFAOYSA-N -1 0 320.353 -0.087 20 0 DBADRM CSCC[C@H](NC(=O)CO[C@@H]1CCOC1)c1nnn[n-]1 ZINC001418526218 1004455972 /nfs/dbraw/zinc/45/59/72/1004455972.db2.gz IDTSTMDJOGCPFW-BDAKNGLRSA-N -1 0 301.372 -0.084 20 0 DBADRM CSCC[C@H](NC(=O)CN1CCOC1=O)c1nnn[n-]1 ZINC001418528236 1004457215 /nfs/dbraw/zinc/45/72/15/1004457215.db2.gz QWMULRNYDJALAY-ZETCQYMHSA-N -1 0 300.344 -0.438 20 0 DBADRM CSCC[C@H](NC(=O)[C@@H]1CCOC(=O)N1)c1nnn[n-]1 ZINC001418529140 1004458138 /nfs/dbraw/zinc/45/81/38/1004458138.db2.gz VUEJITWVVCMEOJ-BQBZGAKWSA-N -1 0 300.344 -0.391 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001593419838 1016879969 /nfs/dbraw/zinc/87/99/69/1016879969.db2.gz OPJVYLYROOQHFO-ABAIWWIYSA-N -1 0 324.333 -0.699 20 0 DBADRM O=CN1CCCN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CC1 ZINC001593414102 1016880199 /nfs/dbraw/zinc/88/01/99/1016880199.db2.gz GTDGGVBYGYCQPD-UHFFFAOYSA-N -1 0 316.321 -0.123 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@H](CCF)C(=O)[O-] ZINC001593420401 1016880294 /nfs/dbraw/zinc/88/02/94/1016880294.db2.gz UOONGKYKYMTPSH-NOZJJQNGSA-N -1 0 300.286 -0.472 20 0 DBADRM O=C1OCCN1C[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001593414978 1016880705 /nfs/dbraw/zinc/88/07/05/1016880705.db2.gz RDGUQOZJKVWESC-SECBINFHSA-N -1 0 316.325 -0.065 20 0 DBADRM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC001593435132 1016883868 /nfs/dbraw/zinc/88/38/68/1016883868.db2.gz DNZCQNYTGQEYDR-WHOHXGKFSA-N -1 0 312.366 -0.215 20 0 DBADRM CCN(CCNC(=O)c1coc(OC)n1)Cc1n[nH]c(=O)[n-]1 ZINC001418555846 1004475310 /nfs/dbraw/zinc/47/53/10/1004475310.db2.gz UYFHOVVVACJKII-UHFFFAOYSA-N -1 0 310.314 -0.241 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)COCC(F)F ZINC001418580538 1004485856 /nfs/dbraw/zinc/48/58/56/1004485856.db2.gz DFBJLNDPIZKFET-QMMMGPOBSA-N -1 0 319.312 -0.175 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC001593428289 1016881819 /nfs/dbraw/zinc/88/18/19/1016881819.db2.gz ZGGFZATZQYNCCO-SECBINFHSA-N -1 0 322.321 -0.163 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC001593427310 1016882439 /nfs/dbraw/zinc/88/24/39/1016882439.db2.gz KXWZVOPFUSIFLK-LLVKDONJSA-N -1 0 320.345 -0.021 20 0 DBADRM CN(C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1)c1nnn[n-]1 ZINC001418614086 1004500965 /nfs/dbraw/zinc/50/09/65/1004500965.db2.gz HMRSJACSJZXXLC-VIFPVBQESA-N -1 0 308.273 -0.908 20 0 DBADRM CN(C(=O)[C@@H](CO)NC(=O)OCc1ccccc1)c1nnn[n-]1 ZINC001418624706 1004509378 /nfs/dbraw/zinc/50/93/78/1004509378.db2.gz VHZFIEZMBKXFHB-SNVBAGLBSA-N -1 0 320.309 -0.550 20 0 DBADRM O=C(CNC(=O)c1ccsc1)NCc1nc([O-])cc(=O)[nH]1 ZINC001418625956 1004510831 /nfs/dbraw/zinc/51/08/31/1004510831.db2.gz SCWRSIHGTNYUNI-UHFFFAOYSA-N -1 0 308.319 -0.005 20 0 DBADRM O=C(COCC(F)F)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001418625791 1004511070 /nfs/dbraw/zinc/51/10/70/1004511070.db2.gz RXHCQQODNONRRQ-QMMMGPOBSA-N -1 0 319.312 -0.127 20 0 DBADRM O=S(=O)(NC[C@@H](O)C1CC1)c1ccsc1-c1nnn[n-]1 ZINC001593435013 1016884201 /nfs/dbraw/zinc/88/42/01/1016884201.db2.gz JKPLALPDCHJWNN-SSDOTTSWSA-N -1 0 315.380 -0.023 20 0 DBADRM O=S(=O)(NC/C=C/CO)c1ccsc1-c1nnn[n-]1 ZINC001593438639 1016885066 /nfs/dbraw/zinc/88/50/66/1016885066.db2.gz MOMAQGUZGYLKOY-OWOJBTEDSA-N -1 0 301.353 -0.245 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001593438889 1016885081 /nfs/dbraw/zinc/88/50/81/1016885081.db2.gz WTLBQTKZDUXDAS-QCNOEVLYSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H](O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC001593439167 1016885720 /nfs/dbraw/zinc/88/57/20/1016885720.db2.gz ZEHNMBAPCPBFNW-ZIBATOQPSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001593439149 1016886145 /nfs/dbraw/zinc/88/61/45/1016886145.db2.gz YUSFPQPWOZJFSN-AOVQSLKQSA-N -1 0 310.350 -0.415 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCO1 ZINC001593442633 1016887535 /nfs/dbraw/zinc/88/75/35/1016887535.db2.gz SPUWILQUYXMLRE-GWOFURMSSA-N -1 0 302.327 -0.733 20 0 DBADRM C[C@@H](O)[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])no2)CCO1 ZINC001593443530 1016887753 /nfs/dbraw/zinc/88/77/53/1016887753.db2.gz ZPILKHIDXSFIRO-HTRCEHHLSA-N -1 0 306.296 -0.857 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCO1 ZINC001593442636 1016888066 /nfs/dbraw/zinc/88/80/66/1016888066.db2.gz SPUWILQUYXMLRE-LNFKQOIKSA-N -1 0 302.327 -0.733 20 0 DBADRM C[C@@H](O)C[C@H](C)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001593441789 1016888260 /nfs/dbraw/zinc/88/82/60/1016888260.db2.gz SXMGLJLOCMLKGY-JGVFFNPUSA-N -1 0 312.326 -0.420 20 0 DBADRM C[C@@H](O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])no2)CCO1 ZINC001593443536 1016888355 /nfs/dbraw/zinc/88/83/55/1016888355.db2.gz ZPILKHIDXSFIRO-SVRRBLITSA-N -1 0 306.296 -0.857 20 0 DBADRM C[C@H](O)C[C@H](C)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001593441794 1016888402 /nfs/dbraw/zinc/88/84/02/1016888402.db2.gz SXMGLJLOCMLKGY-YUMQZZPRSA-N -1 0 312.326 -0.420 20 0 DBADRM C[C@@H](O)C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001593447980 1016889085 /nfs/dbraw/zinc/88/90/85/1016889085.db2.gz OGULXYUEZVTQQF-SFYZADRCSA-N -1 0 319.339 -0.732 20 0 DBADRM C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001593448368 1016889370 /nfs/dbraw/zinc/88/93/70/1016889370.db2.gz RLZQHKXWSQNHKY-VHSXEESVSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)C1CC1 ZINC001593446914 1016889419 /nfs/dbraw/zinc/88/94/19/1016889419.db2.gz NPGDLOMOGLYVKD-ZDHGETPDSA-N -1 0 324.377 -0.026 20 0 DBADRM Cc1oc(C(=O)[N-]n2ccc(=O)[nH]c2=O)cc1S(C)(=O)=O ZINC001418715122 1004589736 /nfs/dbraw/zinc/58/97/36/1004589736.db2.gz VXJWWKDEHKRXIS-UHFFFAOYSA-N -1 0 313.291 -0.362 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C[C@@H]1C=CCC1 ZINC001496328079 1016890865 /nfs/dbraw/zinc/89/08/65/1016890865.db2.gz KMPVBAVMKNGOPL-SECBINFHSA-N -1 0 321.337 -0.173 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N[C@]2(C(=O)[O-])CCSC2)nn1 ZINC001593477567 1016895398 /nfs/dbraw/zinc/89/53/98/1016895398.db2.gz WTOAAXMEFHKEFB-RDDDGLTNSA-N -1 0 300.340 -0.592 20 0 DBADRM C[C@@H](O)CN(CC(=O)Nc1cccc(C(=O)[O-])n1)[C@@H](C)CO ZINC001593459883 1016891608 /nfs/dbraw/zinc/89/16/08/1016891608.db2.gz UBUQSHDBJCRDNW-VHSXEESVSA-N -1 0 311.338 -0.218 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001593456780 1016891784 /nfs/dbraw/zinc/89/17/84/1016891784.db2.gz NCMRGSVRCKDJIB-SFYZADRCSA-N -1 0 300.315 -0.286 20 0 DBADRM Cc1nn(C)cc1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001418751716 1004613655 /nfs/dbraw/zinc/61/36/55/1004613655.db2.gz JABZNHJMWMUGLI-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@@H](O)[C@H]1CCCN1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001593472784 1016895042 /nfs/dbraw/zinc/89/50/42/1016895042.db2.gz XDWYYSVFTZYQQF-NXEZZACHSA-N -1 0 301.343 -0.478 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])nn1 ZINC001593477358 1016896059 /nfs/dbraw/zinc/89/60/59/1016896059.db2.gz PRICGVJYPNFUTE-RITPCOANSA-N -1 0 310.232 -0.147 20 0 DBADRM C/C(=C\C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001496360465 1016897457 /nfs/dbraw/zinc/89/74/57/1016897457.db2.gz BIVFMUWNCGHDJL-VQHVLOKHSA-N -1 0 323.353 -0.380 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1Cc1cn2ccccc2n1 ZINC001593489672 1016897459 /nfs/dbraw/zinc/89/74/59/1016897459.db2.gz VEYHPNCEFVGECS-UHFFFAOYSA-N -1 0 310.277 -0.175 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)O[C@@H](C)C(=O)C(=O)[O-] ZINC001593491215 1016897516 /nfs/dbraw/zinc/89/75/16/1016897516.db2.gz LMCQXKPIVSOIKJ-GJMOJQLCSA-N -1 0 303.311 -0.517 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)CC(C)(C)C ZINC001496362379 1016897869 /nfs/dbraw/zinc/89/78/69/1016897869.db2.gz NISOBEWZOMYWFL-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM C[C@H](OC(=O)C1(C(=O)[O-])CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001593490391 1016898015 /nfs/dbraw/zinc/89/80/15/1016898015.db2.gz CFBSSJZCERXZSU-JGVFFNPUSA-N -1 0 319.335 -0.914 20 0 DBADRM O=C(CNC(=O)C1CCCCC1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001418862632 1004692384 /nfs/dbraw/zinc/69/23/84/1004692384.db2.gz GZAVSOFCBIVEFG-LLVKDONJSA-N -1 0 322.369 -0.204 20 0 DBADRM COC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001418897524 1004705085 /nfs/dbraw/zinc/70/50/85/1004705085.db2.gz SECQOZYNRIOOHU-SREIQFSDSA-N -1 0 312.282 -0.925 20 0 DBADRM O=c1cc(-c2nnn[n-]2)ccn1CCN1CCCS1(=O)=O ZINC001593493330 1016899903 /nfs/dbraw/zinc/89/99/03/1016899903.db2.gz FLSFZOTWXFHIST-UHFFFAOYSA-N -1 0 310.339 -0.936 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CCCc2nn(C)cc21)C(=O)NCC(=O)[O-] ZINC001593499763 1016901354 /nfs/dbraw/zinc/90/13/54/1016901354.db2.gz CPBUEDXKBANEMY-BDAKNGLRSA-N -1 0 309.322 -0.028 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)C(=O)[O-] ZINC001593503856 1016902003 /nfs/dbraw/zinc/90/20/03/1016902003.db2.gz ZRKQHSNUTYVORF-HTQZYQBOSA-N -1 0 307.324 -0.614 20 0 DBADRM C[C@@H](OC(=O)CC(=O)NCC(F)(F)F)C(=O)NCC(=O)[O-] ZINC001593513827 1016903539 /nfs/dbraw/zinc/90/35/39/1016903539.db2.gz GGCZVPXJKATDGF-RXMQYKEDSA-N -1 0 314.216 -0.813 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC(C(N)=O)C3)cc2=O)n1 ZINC001418997335 1004754194 /nfs/dbraw/zinc/75/41/94/1004754194.db2.gz KEOWDBXOAWCMOD-UHFFFAOYSA-N -1 0 316.321 -0.870 20 0 DBADRM O=C([C@H]1CCc2nncn2C1)N1CCC(c2nnn[n-]2)CC1 ZINC001418999481 1004755375 /nfs/dbraw/zinc/75/53/75/1004755375.db2.gz YZIZHOLVXDJONM-JTQLQIEISA-N -1 0 302.342 -0.240 20 0 DBADRM CCNC(=O)CCCC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001419042051 1004781255 /nfs/dbraw/zinc/78/12/55/1004781255.db2.gz MYBJVSCDINPQGN-UHFFFAOYSA-N -1 0 324.385 -0.635 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001419045269 1004783394 /nfs/dbraw/zinc/78/33/94/1004783394.db2.gz YUKXBCRIPLNZOD-YGRLFVJLSA-N -1 0 318.337 -0.872 20 0 DBADRM C[C@H](OC(=O)CCCN1C(=O)CN(C)C1=O)C(=O)C(=O)[O-] ZINC001593513591 1016906296 /nfs/dbraw/zinc/90/62/96/1016906296.db2.gz CKWLFLFPMGNGKO-ZETCQYMHSA-N -1 0 300.267 -0.754 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001419067536 1004797886 /nfs/dbraw/zinc/79/78/86/1004797886.db2.gz LHXPBVZWWHDPBX-VIFPVBQESA-N -1 0 324.385 -0.542 20 0 DBADRM C[C@@H](OC(=O)CN(C)C(=O)[C@H](C)n1cccn1)C(=O)C(=O)[O-] ZINC001593527284 1016908054 /nfs/dbraw/zinc/90/80/54/1016908054.db2.gz DYPFZYUXQAPMTP-DTWKUNHWSA-N -1 0 311.294 -0.512 20 0 DBADRM CNC(=O)CCCC(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001419107756 1004809316 /nfs/dbraw/zinc/80/93/16/1004809316.db2.gz GJYXHIFBRIGCFO-JTQLQIEISA-N -1 0 324.385 -0.541 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CN1CCC(=O)NC1=O ZINC001419132923 1004817169 /nfs/dbraw/zinc/81/71/69/1004817169.db2.gz AIKZAEGEPSXOGB-UHFFFAOYSA-N -1 0 309.330 -0.874 20 0 DBADRM C[C@@H](OC(=O)CCn1nnc2ccccc2c1=O)C(=O)C(=O)[O-] ZINC001593528009 1016909416 /nfs/dbraw/zinc/90/94/16/1016909416.db2.gz OVCKCMPOTZEGDM-MRVPVSSYSA-N -1 0 319.273 -0.233 20 0 DBADRM OCC[C@@H]1CN(Cc2nc(-c3nn[nH]n3)cs2)C[C@@H]1CO ZINC001593530548 1016909429 /nfs/dbraw/zinc/90/94/29/1016909429.db2.gz KIMJAWLRHUUWJI-RKDXNWHRSA-N -1 0 310.383 -0.254 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)NC1(c3nnn[n-]3)CCC1)CC2 ZINC001419165450 1004823655 /nfs/dbraw/zinc/82/36/55/1004823655.db2.gz VKFWLZSKVVCGLY-SECBINFHSA-N -1 0 302.342 -0.142 20 0 DBADRM OCC[C@H]1CN(Cc2nc(-c3nn[nH]n3)cs2)C[C@@H]1CO ZINC001593530546 1016909723 /nfs/dbraw/zinc/90/97/23/1016909723.db2.gz KIMJAWLRHUUWJI-DTWKUNHWSA-N -1 0 310.383 -0.254 20 0 DBADRM C[C@@H](OC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)C(=O)[O-] ZINC001593528485 1016909867 /nfs/dbraw/zinc/90/98/67/1016909867.db2.gz WEBXAWXFOBPELY-HLTSFMKQSA-N -1 0 311.290 -0.253 20 0 DBADRM C[C@H](OC(=O)CN(C)C(=O)[C@H](C)n1cccn1)C(=O)C(=O)[O-] ZINC001593527285 1016910265 /nfs/dbraw/zinc/91/02/65/1016910265.db2.gz DYPFZYUXQAPMTP-IUCAKERBSA-N -1 0 311.294 -0.512 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@H](C(F)(F)F)CC1 ZINC001419253502 1004843991 /nfs/dbraw/zinc/84/39/91/1004843991.db2.gz DZQHDGFGLSOOSZ-LURJTMIESA-N -1 0 310.232 -0.131 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@@H](C(F)(F)F)CC1 ZINC001419253506 1004844013 /nfs/dbraw/zinc/84/40/13/1004844013.db2.gz DZQHDGFGLSOOSZ-ZCFIWIBFSA-N -1 0 310.232 -0.131 20 0 DBADRM C[C@@H](OC(=O)COCc1nncn1C)C(=O)C(C)(C)C(=O)[O-] ZINC001593534291 1016911902 /nfs/dbraw/zinc/91/19/02/1016911902.db2.gz UMYOOSQBLAWZTE-MRVPVSSYSA-N -1 0 313.310 -0.057 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCC1CC2(C1)OCCO2 ZINC001419357709 1004862240 /nfs/dbraw/zinc/86/22/40/1004862240.db2.gz YSYFQYDULJVTSP-UHFFFAOYSA-N -1 0 300.340 -0.128 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001419446482 1004876432 /nfs/dbraw/zinc/87/64/32/1004876432.db2.gz MDSJCAHOAWDZOX-MWLCHTKSSA-N -1 0 316.321 -0.386 20 0 DBADRM C[C@@H](OC(=O)Cn1cc(C(=O)[O-])cn1)C(=O)NC(=O)NC1CC1 ZINC001593541714 1016916584 /nfs/dbraw/zinc/91/65/84/1016916584.db2.gz KLHREKFRXDKWHM-SSDOTTSWSA-N -1 0 324.293 -0.499 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CCc2cnn(C)c2C1)c1nnn[n-]1 ZINC001419553929 1004898583 /nfs/dbraw/zinc/89/85/83/1004898583.db2.gz NOKLAENIJPRPPB-WPRPVWTQSA-N -1 0 305.342 -0.458 20 0 DBADRM COC[C@H](NC(=O)CCC(=O)c1cnn(C)c1)c1nnn[n-]1 ZINC001419551961 1004898625 /nfs/dbraw/zinc/89/86/25/1004898625.db2.gz JEDLQPUXEITVRF-VIFPVBQESA-N -1 0 307.314 -0.600 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CCc2cnn(C)c2C1)c1nnn[n-]1 ZINC001419553902 1004898671 /nfs/dbraw/zinc/89/86/71/1004898671.db2.gz NOKLAENIJPRPPB-PSASIEDQSA-N -1 0 305.342 -0.458 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CNC(=O)c2ccccc21)c1nnn[n-]1 ZINC001419560452 1004900626 /nfs/dbraw/zinc/90/06/26/1004900626.db2.gz ZORRRYXFXQPROI-WDEREUQCSA-N -1 0 316.321 -0.469 20 0 DBADRM c1c(Cn2cc(-c3nnn[n-]3)nn2)nnn1C[C@@H]1CCOC1 ZINC001593543797 1016918243 /nfs/dbraw/zinc/91/82/43/1016918243.db2.gz ZYAMXMYEXJEKSD-QMMMGPOBSA-N -1 0 302.302 -0.866 20 0 DBADRM C[C@@H](OC(=O)Cn1cc(C(=O)[O-])cn1)C(=O)Nc1ncccn1 ZINC001593541399 1016920079 /nfs/dbraw/zinc/92/00/79/1016920079.db2.gz DSOIYSRGYNSZBN-MRVPVSSYSA-N -1 0 319.277 -0.058 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1c[n-]n2c1nccc2=O ZINC001419801275 1004984070 /nfs/dbraw/zinc/98/40/70/1004984070.db2.gz BTBOQTMFFFUOQN-APPZFPTMSA-N -1 0 310.335 -0.815 20 0 DBADRM CO[C@H]1CCCN(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001419806387 1004986796 /nfs/dbraw/zinc/98/67/96/1004986796.db2.gz NXHYVMVOGIUVFS-VIFPVBQESA-N -1 0 306.326 -0.787 20 0 DBADRM C[C@H](OC(=O)c1cn(C)c(=O)[nH]c1=O)c1cn(CC(=O)[O-])nn1 ZINC001593597902 1016930727 /nfs/dbraw/zinc/93/07/27/1016930727.db2.gz QEQJTCNWNVEFTE-LURJTMIESA-N -1 0 323.265 -0.920 20 0 DBADRM C[C@@H](OC(=O)c1ccnc2c1ncn2C)C(=O)NCC(=O)[O-] ZINC001593597876 1016930991 /nfs/dbraw/zinc/93/09/91/1016930991.db2.gz POGGDMJTOIZZGW-SSDOTTSWSA-N -1 0 306.278 -0.286 20 0 DBADRM COC[C@H]1COCCN1C(=O)CNC(=O)c1ncccc1O ZINC001419978967 1005039334 /nfs/dbraw/zinc/03/93/34/1005039334.db2.gz XAAGSSRFGNFIKR-JTQLQIEISA-N -1 0 309.322 -0.609 20 0 DBADRM C[C@@H](Oc1ccccn1)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001593655510 1016932251 /nfs/dbraw/zinc/93/22/51/1016932251.db2.gz GWHJTQDFZZABEO-SNVBAGLBSA-N -1 0 309.322 -0.054 20 0 DBADRM C[C@H](OC[C@H]1CCCCO1)C(=O)NCC(=O)NCC(=O)[O-] ZINC001593605870 1016933067 /nfs/dbraw/zinc/93/30/67/1016933067.db2.gz BTCNOTGUTOBJJA-VHSXEESVSA-N -1 0 302.327 -0.722 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001593606522 1016933243 /nfs/dbraw/zinc/93/32/43/1016933243.db2.gz RKTSVLBYIAMZFY-GARJFASQSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@H](Oc1cccnc1)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001593656389 1016933518 /nfs/dbraw/zinc/93/35/18/1016933518.db2.gz ZXOPJTIJFVNKKH-ONGXEEELSA-N -1 0 305.294 -0.290 20 0 DBADRM C[C@]1(C(=O)N2CCC(O)(C(=O)[O-])CC2)CCCS1(=O)=O ZINC001593745526 1016935314 /nfs/dbraw/zinc/93/53/14/1016935314.db2.gz QXYKXQOYHLIQGN-LLVKDONJSA-N -1 0 305.352 -0.608 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CC23CC(O)C3)c1 ZINC001420091227 1005076221 /nfs/dbraw/zinc/07/62/21/1005076221.db2.gz ILDGAKXOVRLGSB-LGFNHLLRSA-N -1 0 312.347 -0.317 20 0 DBADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001593690537 1016935402 /nfs/dbraw/zinc/93/54/02/1016935402.db2.gz SLLBAECHBUWSFO-IUCAKERBSA-N -1 0 315.351 -0.127 20 0 DBADRM C[C@]1(Br)C[C@@H]1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001593740867 1016936305 /nfs/dbraw/zinc/93/63/05/1016936305.db2.gz WNHOXJPRSRVHQK-BUYFANAVSA-N -1 0 319.155 -0.038 20 0 DBADRM C[C@@]1(C(=O)OCCCc2cn(CC(=O)[O-])nn2)CCC(=O)NC1 ZINC001593814120 1016941549 /nfs/dbraw/zinc/94/15/49/1016941549.db2.gz VVRVXHFQEWCYPB-CQSZACIVSA-N -1 0 324.337 -0.245 20 0 DBADRM C[C@]1(C(=O)NC[C@@H](O)CNc2ncc(C(=O)[O-])cn2)CCOC1 ZINC001593749249 1016938168 /nfs/dbraw/zinc/93/81/68/1016938168.db2.gz KSTNMFPOWKTMGP-YGRLFVJLSA-N -1 0 324.337 -0.510 20 0 DBADRM CN(CCNC(=O)C1CC2(CC2)C1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001496531125 1016940362 /nfs/dbraw/zinc/94/03/62/1016940362.db2.gz AGLAUVGPYUSYBD-UHFFFAOYSA-N -1 0 321.337 -0.339 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@@H]2CCO[C@@H]21 ZINC001593832324 1016941878 /nfs/dbraw/zinc/94/18/78/1016941878.db2.gz BRVYAGBXFPCMOA-MAUMQABQSA-N -1 0 302.302 -0.545 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1 ZINC001593869461 1016943438 /nfs/dbraw/zinc/94/34/38/1016943438.db2.gz YVJMGPPVRJOVMT-IUCAKERBSA-N -1 0 308.338 -0.468 20 0 DBADRM CN(CCNC(=O)CCCn1c(=O)[n-][nH]c1=O)Cc1ccon1 ZINC001420251943 1005173056 /nfs/dbraw/zinc/17/30/56/1005173056.db2.gz IGDLRQPBWIDSHY-UHFFFAOYSA-N -1 0 324.341 -0.294 20 0 DBADRM CC1(C)CO[C@H](CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC001593955292 1016945072 /nfs/dbraw/zinc/94/50/72/1016945072.db2.gz UULYLJNHIFOLPO-VHSXEESVSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@H](c1cnccn1)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001420260065 1005176626 /nfs/dbraw/zinc/17/66/26/1005176626.db2.gz PDDDLYXZUMZUKU-MRVPVSSYSA-N -1 0 319.325 -0.504 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC(CN2CCNC2=O)CC1 ZINC001420287560 1005187391 /nfs/dbraw/zinc/18/73/91/1005187391.db2.gz AFPCIGJMIBFHEZ-UHFFFAOYSA-N -1 0 321.385 -0.214 20 0 DBADRM COc1ncccc1C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001420284833 1005187813 /nfs/dbraw/zinc/18/78/13/1005187813.db2.gz ZVWKQGLCXBQFQV-UHFFFAOYSA-N -1 0 306.326 -0.224 20 0 DBADRM C[C@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1 ZINC001594032052 1016948988 /nfs/dbraw/zinc/94/89/88/1016948988.db2.gz LUKKEEJYIGKTIB-ABAIWWIYSA-N -1 0 310.350 -0.103 20 0 DBADRM C[C@]1(CCCC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])NC(=O)NC1=O ZINC001594000621 1016946353 /nfs/dbraw/zinc/94/63/53/1016946353.db2.gz GEVHKWWWBXZQHZ-UVPNAGLESA-N -1 0 315.301 -0.222 20 0 DBADRM CC1([C@@H]2CCCN(C(=O)Cn3cc(C(=O)[O-])nn3)C2)OCCO1 ZINC001593992322 1016946461 /nfs/dbraw/zinc/94/64/61/1016946461.db2.gz HMNOLMDOBNJFDY-SNVBAGLBSA-N -1 0 324.337 -0.022 20 0 DBADRM C[C@@]1(CCC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CCC(=O)N1 ZINC001594000111 1016946819 /nfs/dbraw/zinc/94/68/19/1016946819.db2.gz ZQMRCDLYZBDZGV-TVQRCGJNSA-N -1 0 309.326 -0.704 20 0 DBADRM CC1(C)OC[C@@H]([C@@H]2CN(Cn3cc(C(=O)[O-])nn3)CCO2)O1 ZINC001593982166 1016947294 /nfs/dbraw/zinc/94/72/94/1016947294.db2.gz YVECTILEGSPERI-QWRGUYRKSA-N -1 0 312.326 -0.214 20 0 DBADRM C[C@]1(CCC(=O)[O-])NC(=O)N(C[C@@H]2C[C@H]3COC[C@H]3O2)C1=O ZINC001594002304 1016947445 /nfs/dbraw/zinc/94/74/45/1016947445.db2.gz KDPBKOKWSMNELD-LFNDISMMSA-N -1 0 312.322 -0.034 20 0 DBADRM C[C@@]1(C2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)NC(=O)NC1=O ZINC001593993725 1016947771 /nfs/dbraw/zinc/94/77/71/1016947771.db2.gz ATMWGUSRQYHHLQ-QIBSRJKCSA-N -1 0 309.322 -0.456 20 0 DBADRM Cc1nn(C)cc1CCC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001420310288 1005202726 /nfs/dbraw/zinc/20/27/26/1005202726.db2.gz SIPKACBGOSYAKW-UHFFFAOYSA-N -1 0 321.385 -0.267 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(C)(CO)CC2)C1 ZINC001594030215 1016949804 /nfs/dbraw/zinc/94/98/04/1016949804.db2.gz DJKIQHURWZLSPM-HNNXBMFYSA-N -1 0 312.366 -0.069 20 0 DBADRM C[C@]1(CNS(=O)(=O)c2cc(C(=O)[O-])ccn2)CCC(=O)N1 ZINC001594027339 1016949905 /nfs/dbraw/zinc/94/99/05/1016949905.db2.gz GKHFQAZTILACNG-GFCCVEGCSA-N -1 0 313.335 -0.273 20 0 DBADRM CC1(C)C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCS1(=O)=O ZINC001420325984 1005215309 /nfs/dbraw/zinc/21/53/09/1005215309.db2.gz MOZGPOJOSOZHGP-SSDOTTSWSA-N -1 0 318.355 -0.839 20 0 DBADRM C[C@]1(CNC(=O)COCc2ocnc2C(=O)[O-])CCC(=O)N1 ZINC001594015004 1016950380 /nfs/dbraw/zinc/95/03/80/1016950380.db2.gz ATCBGBYIOZPSSQ-CYBMUJFWSA-N -1 0 311.294 -0.326 20 0 DBADRM CCc1cnc(CNC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001420361646 1005231215 /nfs/dbraw/zinc/23/12/15/1005231215.db2.gz AMSRVMDKEHLDTG-MRVPVSSYSA-N -1 0 324.341 -0.466 20 0 DBADRM Cc1ccnc(CNC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001420362271 1005231293 /nfs/dbraw/zinc/23/12/93/1005231293.db2.gz HEGXPSJAWCVDCD-SECBINFHSA-N -1 0 321.341 -0.918 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)OC)Cc1n[nH]c(=O)[n-]1 ZINC001420387532 1005240119 /nfs/dbraw/zinc/24/01/19/1005240119.db2.gz YQPBHNOABUIFFX-RKDXNWHRSA-N -1 0 311.342 -0.743 20 0 DBADRM C[C@]1(CO)C[C@@H](O)CN1C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001594033099 1016953100 /nfs/dbraw/zinc/95/31/00/1016953100.db2.gz UTXIYQRYDPPUSO-XLKFXECMSA-N -1 0 324.337 -0.123 20 0 DBADRM C[C@@]1(CO)C[C@@H](O)CN1S(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001594032668 1016953126 /nfs/dbraw/zinc/95/31/26/1016953126.db2.gz RPUDUKJHZHJOII-DTZXXLCVSA-N -1 0 321.395 -0.223 20 0 DBADRM C[C@H](NC(=O)CN1CCCCS1(=O)=O)c1nn(C)cc1[O-] ZINC001420442406 1005262571 /nfs/dbraw/zinc/26/25/71/1005262571.db2.gz UYIWGMAFUDWQPM-VIFPVBQESA-N -1 0 316.383 -0.272 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOC[C@@H]1CC1CCOCC1 ZINC001420451570 1005265860 /nfs/dbraw/zinc/26/58/60/1005265860.db2.gz JHSMFMIOWMIUSM-JTQLQIEISA-N -1 0 324.337 -0.060 20 0 DBADRM CC1=C(C(=O)N2CCOC[C@@H]2CC(=O)[O-])Cn2nnnc2N1C ZINC001594092484 1016958701 /nfs/dbraw/zinc/95/87/01/1016958701.db2.gz UFNIRCODQKSNCG-VIFPVBQESA-N -1 0 322.325 -0.901 20 0 DBADRM Cc1cnc(CNC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001420502317 1005281698 /nfs/dbraw/zinc/28/16/98/1005281698.db2.gz SJNNOAZBRROZKA-ZETCQYMHSA-N -1 0 310.314 -0.720 20 0 DBADRM CC1=C(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])Cn2nnnc2N1C ZINC001594091932 1016958895 /nfs/dbraw/zinc/95/88/95/1016958895.db2.gz IKPAZFITEWRJNS-OTYXRUKQSA-N -1 0 318.337 -0.137 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001594120489 1016959249 /nfs/dbraw/zinc/95/92/49/1016959249.db2.gz LLXDQWQVMNPRRE-RKDXNWHRSA-N -1 0 315.351 -0.157 20 0 DBADRM CC1=C(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)S(=O)(=O)CCO1 ZINC001594091836 1016959610 /nfs/dbraw/zinc/95/96/10/1016959610.db2.gz DFDZMLIVFASEPX-NSHDSACASA-N -1 0 307.299 -0.312 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCC[C@H](O)C2CC2)c1 ZINC001420523878 1005290789 /nfs/dbraw/zinc/29/07/89/1005290789.db2.gz XEGDBNVWCAMWFR-NSHDSACASA-N -1 0 314.363 -0.070 20 0 DBADRM CC1=C(C(=O)[O-])C[C@H](CN2CCS(=O)(=O)C[C@H]2CCO)O1 ZINC001594104633 1016959853 /nfs/dbraw/zinc/95/98/53/1016959853.db2.gz OPPMXJGXVLITSH-GHMZBOCLSA-N -1 0 319.379 -0.385 20 0 DBADRM O=C(COCC(F)F)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001420535384 1005297204 /nfs/dbraw/zinc/29/72/04/1005297204.db2.gz DIODHJQTRBPYCZ-QMMMGPOBSA-N -1 0 319.312 -0.270 20 0 DBADRM C[C@@H]1C(=O)N(NC(=O)Cc2ccc(C(=O)[O-])nc2)C(=O)N1C ZINC001594129074 1016960759 /nfs/dbraw/zinc/96/07/59/1016960759.db2.gz OIPTUGXUMAXEJF-SSDOTTSWSA-N -1 0 306.278 -0.364 20 0 DBADRM Cc1c(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)nnn1C ZINC001420558159 1005302936 /nfs/dbraw/zinc/30/29/36/1005302936.db2.gz KFFVEDXNBSKOTE-ZETCQYMHSA-N -1 0 308.346 -0.802 20 0 DBADRM COc1cccc2c(C(=O)OCC(=O)NCC(=O)[O-])n[nH]c21 ZINC001594135192 1016960875 /nfs/dbraw/zinc/96/08/75/1016960875.db2.gz YELKLRDJOWEWEJ-UHFFFAOYSA-N -1 0 307.262 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CN(C)C(=O)[C@H]2C)C[C@]1(C)C(=O)[O-] ZINC001594127301 1016960973 /nfs/dbraw/zinc/96/09/73/1016960973.db2.gz YKXBEHDSTLUGMI-QIBSRJKCSA-N -1 0 311.338 -0.798 20 0 DBADRM C[C@H]1C(=O)N(C)S(=O)(=O)N1Cc1nc(C(=O)[O-])cs1 ZINC001594128643 1016961719 /nfs/dbraw/zinc/96/17/19/1016961719.db2.gz JSZCNGTZRNMTQK-YFKPBYRVSA-N -1 0 305.337 -0.251 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001594125813 1016961779 /nfs/dbraw/zinc/96/17/79/1016961779.db2.gz MSJOJDGPLWRFEX-SECBINFHSA-N -1 0 307.306 -0.764 20 0 DBADRM Cc1cc(CN(C)C[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)on1 ZINC001420596118 1005315886 /nfs/dbraw/zinc/31/58/86/1005315886.db2.gz OLPQWFBHWARNBF-MRVPVSSYSA-N -1 0 322.325 -0.170 20 0 DBADRM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001594130723 1016961961 /nfs/dbraw/zinc/96/19/61/1016961961.db2.gz WWZIPFSGYAJSIM-SSDOTTSWSA-N -1 0 301.324 -0.768 20 0 DBADRM COc1cccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC001594128371 1016962190 /nfs/dbraw/zinc/96/21/90/1016962190.db2.gz MTVVRFVUPMLFJD-VIFPVBQESA-N -1 0 307.306 -0.361 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001594127000 1016962326 /nfs/dbraw/zinc/96/23/26/1016962326.db2.gz UVSUBSFNWFXIDX-LXUNUROVSA-N -1 0 323.349 -0.752 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@]1(F)CCOC1 ZINC001420617695 1005322638 /nfs/dbraw/zinc/32/26/38/1005322638.db2.gz WJOJZASDJFQVGG-PRHODGIISA-N -1 0 301.322 -0.425 20 0 DBADRM C[C@@]1(NNC(=S)NCCCC(=O)[O-])CCS(=O)(=O)C1 ZINC001594062103 1016956617 /nfs/dbraw/zinc/95/66/17/1016956617.db2.gz RZSSFMJSKBIBRI-SNVBAGLBSA-N -1 0 309.413 -0.603 20 0 DBADRM C[C@]12COC[C@@H]1CN(C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C2 ZINC001594087540 1016956703 /nfs/dbraw/zinc/95/67/03/1016956703.db2.gz IHNZNRZTLNAQTF-LMCGPQHNSA-N -1 0 310.350 -0.149 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])C1=O ZINC001594108156 1016958647 /nfs/dbraw/zinc/95/86/47/1016958647.db2.gz BJDVVXPFNHPFNI-PWSUYJOCSA-N -1 0 324.333 -0.482 20 0 DBADRM CC1=NO[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1 ZINC001594113106 1016958665 /nfs/dbraw/zinc/95/86/65/1016958665.db2.gz DNKAPTQDBWXJQU-DTWKUNHWSA-N -1 0 304.324 -0.749 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCc1cnn(C)c1 ZINC001594138793 1016964356 /nfs/dbraw/zinc/96/43/56/1016964356.db2.gz OWBHCWRPNNPAQC-KOLCDFICSA-N -1 0 308.338 -0.600 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@H](CCCO)C1 ZINC001594138082 1016965044 /nfs/dbraw/zinc/96/50/44/1016965044.db2.gz GVIXFCUMLYIGHT-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM COc1cnc([C@H]2CCCN2C(=O)[C@@H](OC)C(=O)[O-])[nH]c1=O ZINC001594153113 1016968252 /nfs/dbraw/zinc/96/82/52/1016968252.db2.gz MIHVTUFGPHMLJC-VXNVDRBHSA-N -1 0 311.294 -0.046 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001594147374 1016968292 /nfs/dbraw/zinc/96/82/92/1016968292.db2.gz MIXVLQMELDKOKD-ZJUUUORDSA-N -1 0 304.368 -0.962 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001594165102 1016972485 /nfs/dbraw/zinc/97/24/85/1016972485.db2.gz LPUHSNYKFRQDBO-SNVBAGLBSA-N -1 0 300.336 -0.372 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001594142255 1016968909 /nfs/dbraw/zinc/96/89/09/1016968909.db2.gz RFZKJLZTNFCWPX-MNDZJOLHSA-N -1 0 308.334 -0.400 20 0 DBADRM CS(=O)(=O)CC[C@@H]1CCCCN1CC(=O)NCC(=O)[O-] ZINC001594164876 1016972586 /nfs/dbraw/zinc/97/25/86/1016972586.db2.gz BXONBWXPFHJJBI-JTQLQIEISA-N -1 0 306.384 -0.524 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001594163403 1016970181 /nfs/dbraw/zinc/97/01/81/1016970181.db2.gz CBUOHEQSVDPZKA-SNVBAGLBSA-N -1 0 319.379 -0.239 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)nc1 ZINC001594155332 1016970661 /nfs/dbraw/zinc/97/06/61/1016970661.db2.gz WBORLWLRROVKKN-WCBMZHEXSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001594159423 1016971169 /nfs/dbraw/zinc/97/11/69/1016971169.db2.gz MWKNKWPAODGKHP-ZDUSSCGKSA-N -1 0 308.294 -0.253 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001594160910 1016971197 /nfs/dbraw/zinc/97/11/97/1016971197.db2.gz FXOHPRYTWXVQLL-UHFFFAOYSA-N -1 0 310.310 -0.262 20 0 DBADRM COc1ncc(/C=C\C(=O)Nc2ncn(CC(=O)[O-])n2)cn1 ZINC001594156779 1016971404 /nfs/dbraw/zinc/97/14/04/1016971404.db2.gz GGJIPHOHQONBRQ-IHWYPQMZSA-N -1 0 304.266 -0.187 20 0 DBADRM CS(=O)(=O)CCN(C(=O)[C@H]1CC(C(=O)[O-])=NO1)C1CC1 ZINC001594165526 1016972880 /nfs/dbraw/zinc/97/28/80/1016972880.db2.gz SYQGQSDIFPTTIA-SECBINFHSA-N -1 0 304.324 -0.749 20 0 DBADRM CS(=O)(=O)CC1(C(=O)Nc2cncc(C(=O)[O-])c2)COC1 ZINC001594163690 1016973100 /nfs/dbraw/zinc/97/31/00/1016973100.db2.gz JIIXCUJMNSRTJR-UHFFFAOYSA-N -1 0 314.319 -0.221 20 0 DBADRM CS(=O)(=O)[C@H]1CCCCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001594164018 1016973521 /nfs/dbraw/zinc/97/35/21/1016973521.db2.gz KPQJFMWOXOPORZ-QWRGUYRKSA-N -1 0 318.395 -0.224 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001594164525 1016973535 /nfs/dbraw/zinc/97/35/35/1016973535.db2.gz SUAHMHJRRXTXHQ-WPRPVWTQSA-N -1 0 318.351 -0.358 20 0 DBADRM CS(=O)(=O)[C@H]1CCCCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC001594163697 1016973650 /nfs/dbraw/zinc/97/36/50/1016973650.db2.gz GWQFRHWMVVPFJT-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM CS(=O)(=O)CCCCCNC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001594164848 1016973802 /nfs/dbraw/zinc/97/38/02/1016973802.db2.gz ASWMHTKBCHAPKH-SECBINFHSA-N -1 0 306.340 -0.453 20 0 DBADRM CS(=O)(=O)CCNC(=S)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001594164951 1016973928 /nfs/dbraw/zinc/97/39/28/1016973928.db2.gz GWPVYOLPWXEATM-SECBINFHSA-N -1 0 308.425 -0.004 20 0 DBADRM CS(=O)(=O)CCN1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001594164958 1016974444 /nfs/dbraw/zinc/97/44/44/1016974444.db2.gz HNAJCFMFBTUJCE-JTQLQIEISA-N -1 0 318.395 -0.572 20 0 DBADRM CS(=O)(=O)C1CN(C(=O)C2(CC(=O)[O-])CCOCC2)C1 ZINC001594164681 1016974571 /nfs/dbraw/zinc/97/45/71/1016974571.db2.gz WDZSHXFRNUGDOG-UHFFFAOYSA-N -1 0 305.352 -0.487 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1nnnn1CCCN1CCCC1=O ZINC001594174624 1016978956 /nfs/dbraw/zinc/97/89/56/1016978956.db2.gz SEUAZBZUHSATSU-QWRGUYRKSA-N -1 0 322.369 -0.015 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1 ZINC001594170566 1016978998 /nfs/dbraw/zinc/97/89/98/1016978998.db2.gz QFUZQHHPUMHIMR-SSDOTTSWSA-N -1 0 316.339 -0.738 20 0 DBADRM CS(=O)(=O)Cc1nc(C(=O)N2CCO[C@H](C(=O)[O-])C2)co1 ZINC001594167993 1016975348 /nfs/dbraw/zinc/97/53/48/1016975348.db2.gz MPSLUZCREBEFMX-QMMMGPOBSA-N -1 0 318.307 -0.855 20 0 DBADRM CS(=O)(=O)Cc1noc(COC(=O)[C@@H](C(=O)[O-])C2CC2)n1 ZINC001594168324 1016976220 /nfs/dbraw/zinc/97/62/20/1016976220.db2.gz PZCYFAGVJHDNEL-SECBINFHSA-N -1 0 318.307 -0.232 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001594170112 1016977096 /nfs/dbraw/zinc/97/70/96/1016977096.db2.gz SAHIPQZEBURWMK-WDEREUQCSA-N -1 0 318.395 -0.019 20 0 DBADRM CS(=O)(=O)N1CCC(CC(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001594168309 1016977332 /nfs/dbraw/zinc/97/73/32/1016977332.db2.gz PJXNVTZFCHTIJY-LLVKDONJSA-N -1 0 318.395 -0.019 20 0 DBADRM CS(=O)(=O)NCC1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001594170391 1016977346 /nfs/dbraw/zinc/97/73/46/1016977346.db2.gz MTUVOASKYHDWJN-GHMZBOCLSA-N -1 0 318.395 -0.115 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001594170730 1016978037 /nfs/dbraw/zinc/97/80/37/1016978037.db2.gz SZRSUUSCERDRMW-XNWIYYODSA-N -1 0 319.383 -0.427 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1nnnn1CCCN1CCOCC1 ZINC001594175489 1016979257 /nfs/dbraw/zinc/97/92/57/1016979257.db2.gz YCMPARPMNZKKIH-NEPJUHHUSA-N -1 0 324.385 -0.305 20 0 DBADRM C[S@](=O)CCNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594177645 1016979490 /nfs/dbraw/zinc/97/94/90/1016979490.db2.gz AIJGKOYTAISSFO-BTKVJGODSA-N -1 0 319.383 -0.870 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001594170988 1016980171 /nfs/dbraw/zinc/98/01/71/1016980171.db2.gz XOPQOBCMCZNYRR-UHFFFAOYSA-N -1 0 313.335 -0.410 20 0 DBADRM CS[C@H]1CCC[C@@H](NC(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC001594182057 1016980959 /nfs/dbraw/zinc/98/09/59/1016980959.db2.gz ZPXVPRIQBJADOQ-ZJUUUORDSA-N -1 0 318.395 -0.006 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)NCCCCC(=O)[O-] ZINC001594179705 1016981624 /nfs/dbraw/zinc/98/16/24/1016981624.db2.gz ONRBTFFQGHRWJU-ULQSSITMSA-N -1 0 318.395 -0.275 20 0 DBADRM CSC[C@@](C)(O)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001594185791 1016982380 /nfs/dbraw/zinc/98/23/80/1016982380.db2.gz QIVWCZZZYFXEHC-RNCFNFMXSA-N -1 0 318.395 -0.460 20 0 DBADRM C[C@@H]1CC(=O)N(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1 ZINC001594199477 1016983669 /nfs/dbraw/zinc/98/36/69/1016983669.db2.gz YXQRYBMIAPDZOJ-NXEZZACHSA-N -1 0 304.368 -0.614 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(C(=O)[O-])C1 ZINC001594211101 1016984530 /nfs/dbraw/zinc/98/45/30/1016984530.db2.gz FBNPBEXLNYSDKA-APPZFPTMSA-N -1 0 302.327 -0.197 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1)C(=O)N(C)C ZINC001594199716 1016984828 /nfs/dbraw/zinc/98/48/28/1016984828.db2.gz JDVUPVSDNNNHAZ-SSDOTTSWSA-N -1 0 308.294 -0.689 20 0 DBADRM C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001594198549 1016984877 /nfs/dbraw/zinc/98/48/77/1016984877.db2.gz LTKOVFCJDCFQBY-MRVPVSSYSA-N -1 0 313.335 -0.321 20 0 DBADRM C[C@@H](NC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001594204048 1016985340 /nfs/dbraw/zinc/98/53/40/1016985340.db2.gz ZROHOFZRQHASHK-HTQZYQBOSA-N -1 0 316.339 -0.163 20 0 DBADRM C[C@@H]1[C@H](NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CCS1(=O)=O ZINC001594231245 1016986235 /nfs/dbraw/zinc/98/62/35/1016986235.db2.gz LXUDGNYXSVLZCN-CHWFTXMASA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC001594218167 1016987197 /nfs/dbraw/zinc/98/71/97/1016987197.db2.gz BWWXUSNTOXZYAA-VXNVDRBHSA-N -1 0 313.335 -0.193 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC001594225051 1016987648 /nfs/dbraw/zinc/98/76/48/1016987648.db2.gz VDYCHYQOJXCNSQ-QYTUQVAYSA-N -1 0 317.363 -0.488 20 0 DBADRM C[C@@H]1CC[C@H](O)CN1C(=O)NCCOCCOCC(=O)[O-] ZINC001594221574 1016987983 /nfs/dbraw/zinc/98/79/83/1016987983.db2.gz GJPPDWPGQSICFO-MNOVXSKESA-N -1 0 304.343 -0.341 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC001594223435 1016988315 /nfs/dbraw/zinc/98/83/15/1016988315.db2.gz DJWCAKOLOYRYLA-LNLATYFQSA-N -1 0 319.383 -0.871 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2)C(=O)[O-] ZINC001594241744 1016989658 /nfs/dbraw/zinc/98/96/58/1016989658.db2.gz HEWHEXPFPSSZJM-ZETCQYMHSA-N -1 0 319.360 -0.134 20 0 DBADRM C[C@@H]1C[C@@H](CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CCO1 ZINC001594243885 1016990785 /nfs/dbraw/zinc/99/07/85/1016990785.db2.gz RVDUMUOCAPGIPV-VPOLOUISSA-N -1 0 307.368 -0.037 20 0 DBADRM C[C@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001594244528 1016990928 /nfs/dbraw/zinc/99/09/28/1016990928.db2.gz XBABKQOXBLEWMO-RPHNGCRZSA-N -1 0 324.377 -0.167 20 0 DBADRM C[C@H]1C[C@H](NC(=O)Cn2ccc(C(=O)[O-])n2)CCS1(=O)=O ZINC001594252813 1016992118 /nfs/dbraw/zinc/99/21/18/1016992118.db2.gz JAVZPRMZXUYFAY-DTWKUNHWSA-N -1 0 315.351 -0.337 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)Cn2ccc(C(=O)[O-])n2)CCS1(=O)=O ZINC001594252814 1016992430 /nfs/dbraw/zinc/99/24/30/1016992430.db2.gz JAVZPRMZXUYFAY-IUCAKERBSA-N -1 0 315.351 -0.337 20 0 DBADRM C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)NC[C@H](F)C(=O)[O-] ZINC001594251540 1016992959 /nfs/dbraw/zinc/99/29/59/1016992959.db2.gz WMHOYWXRRMGQDS-DCAQKATOSA-N -1 0 303.334 -0.086 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c2ncnn21 ZINC001594249575 1016994354 /nfs/dbraw/zinc/99/43/54/1016994354.db2.gz OLGSFAXGVITTTA-BGZDPUMWSA-N -1 0 307.310 -0.621 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CO1 ZINC001594250824 1016994643 /nfs/dbraw/zinc/99/46/43/1016994643.db2.gz YAZQEJRARGXNIF-MOCCIAMBSA-N -1 0 310.350 -0.105 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)CC(N)=O)CN1c1ncc(C(=O)[O-])cn1 ZINC001594315242 1016999519 /nfs/dbraw/zinc/99/95/19/1016999519.db2.gz VWEUNXAIKRZSHF-WCBMZHEXSA-N -1 0 321.337 -0.476 20 0 DBADRM CC1CCC(C)(CNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)CC1 ZINC001594296387 1016999738 /nfs/dbraw/zinc/99/97/38/1016999738.db2.gz QMJFROAIPVDBFD-UHFFFAOYSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@H]1CC[C@H](NS(=O)(=O)CCCC(=O)[O-])CS1(=O)=O ZINC001594326186 1016999920 /nfs/dbraw/zinc/99/99/20/1016999920.db2.gz GKUWISATMCXLSH-IUCAKERBSA-N -1 0 313.397 -0.264 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)O[C@H]1C(=O)[O-] ZINC001594314924 1016999981 /nfs/dbraw/zinc/99/99/81/1016999981.db2.gz SSSIDZDSRCDGII-KAMPLNKDSA-N -1 0 319.379 -0.054 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)CC(N)=O)CN1c1ccnc(C(=O)[O-])n1 ZINC001594314689 1017000476 /nfs/dbraw/zinc/00/04/76/1017000476.db2.gz QXBMMYUMZNZULG-DTWKUNHWSA-N -1 0 321.337 -0.476 20 0 DBADRM C[C@H]1C[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C(=O)O1 ZINC001594264404 1016995715 /nfs/dbraw/zinc/99/57/15/1016995715.db2.gz QHRMIHKNSYQXAP-CBAPKCEASA-N -1 0 306.340 -0.679 20 0 DBADRM Cc1c(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)nn2c1OCCC2 ZINC001594260253 1016996577 /nfs/dbraw/zinc/99/65/77/1016996577.db2.gz IXEFGABUEKGPDD-SECBINFHSA-N -1 0 323.305 -0.184 20 0 DBADRM C[C@@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])no2)c2ncnn21 ZINC001594264051 1016996616 /nfs/dbraw/zinc/99/66/16/1016996616.db2.gz KHAUZOUKDLBVBL-RITPCOANSA-N -1 0 313.295 -0.051 20 0 DBADRM C[C@@H]1C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])c2ncnn21 ZINC001594263544 1016996791 /nfs/dbraw/zinc/99/67/91/1016996791.db2.gz AJSBEWCDGSLGFD-HTQZYQBOSA-N -1 0 303.344 -0.475 20 0 DBADRM C[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)CCN1C(=O)CC(N)=O ZINC001594265671 1016997275 /nfs/dbraw/zinc/99/72/75/1016997275.db2.gz KHQYHAYIVVXSFQ-IUCAKERBSA-N -1 0 321.337 -0.737 20 0 DBADRM C[C@@H]1C[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])c2ncnn21 ZINC001594264351 1016997374 /nfs/dbraw/zinc/99/73/74/1016997374.db2.gz OVLABXGNAHUTAO-VDTYLAMSSA-N -1 0 312.311 -0.316 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1=O ZINC001594277402 1016997639 /nfs/dbraw/zinc/99/76/39/1016997639.db2.gz PPZOSTQMAWLOKS-GIJXOTHNSA-N -1 0 310.350 -0.010 20 0 DBADRM C[C@H]1C[C@H](O)CN1C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001594267608 1016997854 /nfs/dbraw/zinc/99/78/54/1016997854.db2.gz ZAPFQXINYNXVGZ-WPRPVWTQSA-N -1 0 324.337 -0.377 20 0 DBADRM C[C@@H]1CCCN(C(=O)CN2CCC[C@H]2C(=O)NCC(=O)[O-])C1 ZINC001594377515 1016998962 /nfs/dbraw/zinc/99/89/62/1016998962.db2.gz FSEOGJUWUGNUBH-NEPJUHHUSA-N -1 0 311.382 -0.090 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)Cc2nnnn2C)c1[O-] ZINC001496688680 1017001863 /nfs/dbraw/zinc/00/18/63/1017001863.db2.gz IMATULRBXIWMPV-UHFFFAOYSA-N -1 0 308.346 -0.849 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])C1 ZINC001594378611 1017002044 /nfs/dbraw/zinc/00/20/44/1017002044.db2.gz LFWARRATGKZALG-MNOVXSKESA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)[C@H]1CO ZINC001594392269 1017003569 /nfs/dbraw/zinc/00/35/69/1017003569.db2.gz DJALMBSDQBECAO-KKOKHZNYSA-N -1 0 312.366 -0.215 20 0 DBADRM CN(C(=O)C(=O)NCCOCC(F)F)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597984342 1017225073 /nfs/dbraw/zinc/22/50/73/1017225073.db2.gz OADFOWNGIGHOHL-OCAPTIKFSA-N -1 0 308.281 -0.294 20 0 DBADRM C[C@@H]1CCCc2nc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cn21 ZINC001594389082 1017003867 /nfs/dbraw/zinc/00/38/67/1017003867.db2.gz QDYICJQKCCFRMI-SFYZADRCSA-N -1 0 303.340 -0.496 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@@H]1CO ZINC001594394773 1017004694 /nfs/dbraw/zinc/00/46/94/1017004694.db2.gz XFWZEUXSVYPEAQ-KKOKHZNYSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H]1CCN(CC(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1 ZINC001594414695 1017005325 /nfs/dbraw/zinc/00/53/25/1017005325.db2.gz NIFQXOCDKYWHCA-WDEREUQCSA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)[C@H](C(=O)[O-])C1 ZINC001594411537 1017005849 /nfs/dbraw/zinc/00/58/49/1017005849.db2.gz PSUHMKKETLHXMX-USWWRNFRSA-N -1 0 311.338 -0.438 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])CCO1 ZINC001594402103 1017005877 /nfs/dbraw/zinc/00/58/77/1017005877.db2.gz OWEBWGFFNZYMMK-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM C[C@@H]1CCN(CC(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1 ZINC001594414693 1017006828 /nfs/dbraw/zinc/00/68/28/1017006828.db2.gz NIFQXOCDKYWHCA-MNOVXSKESA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@@H](C(=O)[O-])C1 ZINC001594395750 1017007281 /nfs/dbraw/zinc/00/72/81/1017007281.db2.gz DMQLCGOOQGNPKP-VHSXEESVSA-N -1 0 306.384 -0.020 20 0 DBADRM Cc1cnc2nc(C(=O)O[C@H]3CCN(CC(=O)[O-])C3=O)nn2c1 ZINC001594432682 1017008521 /nfs/dbraw/zinc/00/85/21/1017008521.db2.gz UXYFPJJHJPRRBY-QMMMGPOBSA-N -1 0 319.277 -0.725 20 0 DBADRM Cc1cn(C)nc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594425778 1017008627 /nfs/dbraw/zinc/00/86/27/1017008627.db2.gz PRISDOXJMNAWNW-MRVPVSSYSA-N -1 0 301.324 -0.948 20 0 DBADRM C[C@@H]1CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)CC[S@]1=O ZINC001594421775 1017009379 /nfs/dbraw/zinc/00/93/79/1017009379.db2.gz BCPVJDGKRYDUFQ-SUTOTMHJSA-N -1 0 302.396 -0.095 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594430773 1017010013 /nfs/dbraw/zinc/01/00/13/1017010013.db2.gz YIYSLLJPHRJYGG-OCAPTIKFSA-N -1 0 313.335 -0.218 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001594438874 1017011282 /nfs/dbraw/zinc/01/12/82/1017011282.db2.gz IOHNNYMJRWWLSF-OIBJUYFYSA-N -1 0 313.335 -0.417 20 0 DBADRM CCN(C(=O)[C@@H]1C[C@H]1C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001428671443 1005985638 /nfs/dbraw/zinc/98/56/38/1005985638.db2.gz YGHJEPHNQJJHAG-IWSPIJDZSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@@H]1CCc2nc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])cn2C1 ZINC001594448100 1017011482 /nfs/dbraw/zinc/01/14/82/1017011482.db2.gz OXXRRTXRUKQPHO-MWLCHTKSSA-N -1 0 320.349 -0.119 20 0 DBADRM Cc1nc(C(=O)N(CC(=O)[O-])CC2CC2)nn1-c1nc[nH]n1 ZINC001594446564 1017012095 /nfs/dbraw/zinc/01/20/95/1017012095.db2.gz ZWZMJHCURUNBAV-UHFFFAOYSA-N -1 0 305.298 -0.369 20 0 DBADRM C[C@@H]1CCS(=O)(=O)CCN1S(=O)(=O)CCCC(=O)[O-] ZINC001594440057 1017012199 /nfs/dbraw/zinc/01/21/99/1017012199.db2.gz GHRKCZBMDYDYFF-SECBINFHSA-N -1 0 313.397 -0.310 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCCO1 ZINC001594458345 1017017153 /nfs/dbraw/zinc/01/71/53/1017017153.db2.gz NTDBAJJAOWGDEI-OZWUEAAUSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2sccc2C(=O)[O-])CC(=O)N1 ZINC001594458506 1017017296 /nfs/dbraw/zinc/01/72/96/1017017296.db2.gz IHMFYAIJRNIZHA-LURJTMIESA-N -1 0 311.319 -0.268 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H](C)C1CC1 ZINC001428739156 1006013504 /nfs/dbraw/zinc/01/35/04/1006013504.db2.gz HXYAOVAZWVYTGN-YUMQZZPRSA-N -1 0 311.342 -0.644 20 0 DBADRM CC(C)CCC(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001428739169 1006013957 /nfs/dbraw/zinc/01/39/57/1006013957.db2.gz HYGFHXHCNKJFHB-VIFPVBQESA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1nc2ccc(NC(=O)C(=O)N[C@H](C)CC(=O)[O-])cn2n1 ZINC001594464131 1017018155 /nfs/dbraw/zinc/01/81/55/1017018155.db2.gz FTWKWIPKUFFYTB-SSDOTTSWSA-N -1 0 305.294 -0.044 20 0 DBADRM CC[C@H](OC)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001440246868 1006024701 /nfs/dbraw/zinc/02/47/01/1006024701.db2.gz KDYSKRASCAYWPW-UWVGGRQHSA-N -1 0 313.358 -0.748 20 0 DBADRM Cc1cnn([C@@H]2CCN(C(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)C2)c1 ZINC001594434695 1017012948 /nfs/dbraw/zinc/01/29/48/1017012948.db2.gz PEFSHRHBYPRHCR-NWDGAFQWSA-N -1 0 320.349 -0.102 20 0 DBADRM Cc1cnccc1CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001594434099 1017013037 /nfs/dbraw/zinc/01/30/37/1017013037.db2.gz ZKNIKFPXKJQVPS-GFCCVEGCSA-N -1 0 305.334 -0.018 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NC(=O)COCc1ocnc1C(=O)[O-] ZINC001594439002 1017013173 /nfs/dbraw/zinc/01/31/73/1017013173.db2.gz KIQYJUONTJNJID-XCBNKYQSSA-N -1 0 311.294 -0.470 20 0 DBADRM Cc1csc(=O)n1CCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594435433 1017013380 /nfs/dbraw/zinc/01/33/80/1017013380.db2.gz FSDKRUAOMZALRK-SECBINFHSA-N -1 0 320.392 -0.598 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)[C@@H](C)CO1 ZINC001594452857 1017014188 /nfs/dbraw/zinc/01/41/88/1017014188.db2.gz BAKNDPFODVBXCU-ZDCRXTMVSA-N -1 0 314.338 -0.677 20 0 DBADRM Cc1nc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)sc1C(=O)[O-] ZINC001594456531 1017014229 /nfs/dbraw/zinc/01/42/29/1017014229.db2.gz GLRFNXZDEQKSPJ-SSDOTTSWSA-N -1 0 310.335 -0.703 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)CC(=O)N1 ZINC001594455237 1017014547 /nfs/dbraw/zinc/01/45/47/1017014547.db2.gz SBAMOYROJZDTRB-LKFCYVNXSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C[C@]1(C)CO ZINC001594454262 1017015248 /nfs/dbraw/zinc/01/52/48/1017015248.db2.gz MMYWOXCJANKUMW-MEBBXXQBSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001594453982 1017015252 /nfs/dbraw/zinc/01/52/52/1017015252.db2.gz KUUVHWOJSPCJGZ-CSYMLDBXSA-N -1 0 312.366 -0.217 20 0 DBADRM Cc1nnc([C@@H]2CCN(C(=O)c3cn(CC(=O)[O-])nn3)C2)[nH]1 ZINC001594451471 1017015413 /nfs/dbraw/zinc/01/54/13/1017015413.db2.gz DBMDIUHRGLFUAE-MRVPVSSYSA-N -1 0 305.298 -0.581 20 0 DBADRM Cc1nnc(C2CN(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C2)[nH]1 ZINC001594451661 1017015664 /nfs/dbraw/zinc/01/56/64/1017015664.db2.gz JNIIWEIYYIFMCZ-VIFPVBQESA-N -1 0 315.355 -0.694 20 0 DBADRM Cc1nc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cs1 ZINC001594453468 1017015697 /nfs/dbraw/zinc/01/56/97/1017015697.db2.gz BJDLSQOMCNKKCO-VIFPVBQESA-N -1 0 313.335 -0.620 20 0 DBADRM Cc1nc([C@H](C)NC(=O)NCCOCCOCC(=O)[O-])no1 ZINC001594449656 1017016203 /nfs/dbraw/zinc/01/62/03/1017016203.db2.gz GLMWWGQAKQVDOA-QMMMGPOBSA-N -1 0 316.314 -0.144 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C[C@]1(C)CO ZINC001594457543 1017019128 /nfs/dbraw/zinc/01/91/28/1017019128.db2.gz HSCCGCBKTDHGSG-XRNSAIHHSA-N -1 0 324.377 -0.167 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])CC(=O)N1 ZINC001594459510 1017019403 /nfs/dbraw/zinc/01/94/03/1017019403.db2.gz UFIOZPOWGKHMRL-ZCFIWIBFSA-N -1 0 311.319 -0.268 20 0 DBADRM C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001594462018 1017019490 /nfs/dbraw/zinc/01/94/90/1017019490.db2.gz CFJQEWSWDQUWMB-BDAKNGLRSA-N -1 0 321.337 -0.443 20 0 DBADRM Cc1nc(N2CCN3[C@@H](CNS3(=O)=O)C2)sc1C(=O)[O-] ZINC001594456884 1017019701 /nfs/dbraw/zinc/01/97/01/1017019701.db2.gz ROABBBFZCUOATH-ZETCQYMHSA-N -1 0 318.380 -0.512 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001594468207 1017021348 /nfs/dbraw/zinc/02/13/48/1017021348.db2.gz HMHWTKLRAJKMRV-QMMMGPOBSA-N -1 0 313.335 -0.416 20 0 DBADRM CCC(=O)NCC(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001440427817 1006120958 /nfs/dbraw/zinc/12/09/58/1006120958.db2.gz OTNCUBBEYWIGAG-UHFFFAOYSA-N -1 0 312.374 -0.683 20 0 DBADRM O=C(NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C(F)F ZINC001428906656 1006120864 /nfs/dbraw/zinc/12/08/64/1006120864.db2.gz SGSKHCLLXFVUJO-RXMQYKEDSA-N -1 0 317.252 -0.874 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC([C@H](O)C(=O)[O-])CC2)C[C@@H](C)O1 ZINC001594466045 1017023544 /nfs/dbraw/zinc/02/35/44/1017023544.db2.gz YERFXSPZYQMBTE-GYSYKLTISA-N -1 0 314.382 -0.220 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001594482131 1017024239 /nfs/dbraw/zinc/02/42/39/1017024239.db2.gz FPPDBOQYPWSANL-LLVKDONJSA-N -1 0 309.322 -0.192 20 0 DBADRM Cc1nccn1CCCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001594471739 1017024257 /nfs/dbraw/zinc/02/42/57/1017024257.db2.gz MHCOCMWPXMLWBD-LBPRGKRZSA-N -1 0 322.365 -0.027 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@]2(CCCOC2)O1 ZINC001594471534 1017024897 /nfs/dbraw/zinc/02/48/97/1017024897.db2.gz XTXBIXDVRKLUDA-YGRLFVJLSA-N -1 0 324.337 -0.227 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)Cc2cncnc21 ZINC001594471176 1017025962 /nfs/dbraw/zinc/02/59/62/1017025962.db2.gz TWNQNXGURVYOGV-MRVPVSSYSA-N -1 0 302.294 -0.088 20 0 DBADRM Cc1nccnc1N1CCN(C(=O)C(=O)NCCC(=O)[O-])CC1 ZINC001594475833 1017026088 /nfs/dbraw/zinc/02/60/88/1017026088.db2.gz WUUSHNXHFTYTRY-UHFFFAOYSA-N -1 0 321.337 -0.975 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001594480333 1017026298 /nfs/dbraw/zinc/02/62/98/1017026298.db2.gz MAAODYWFAYRAQA-LLVKDONJSA-N -1 0 319.321 -0.105 20 0 DBADRM C[C@@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])CCCO1 ZINC001594474150 1017026381 /nfs/dbraw/zinc/02/63/81/1017026381.db2.gz XPVXXYIVTOLHJO-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001594483149 1017026589 /nfs/dbraw/zinc/02/65/89/1017026589.db2.gz HSZIMMSKVBGATL-SECBINFHSA-N -1 0 311.747 -0.504 20 0 DBADRM C[C@@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])C[C@@H](C)O1 ZINC001594473227 1017026633 /nfs/dbraw/zinc/02/66/33/1017026633.db2.gz JUAOSUBGDDOWTJ-NXEZZACHSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C[C@@H](CO)O1 ZINC001594476378 1017026749 /nfs/dbraw/zinc/02/67/49/1017026749.db2.gz YEKNAJGGCFPFBG-ZRUFSTJUSA-N -1 0 302.327 -0.733 20 0 DBADRM O=C(CCCF)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001440495542 1006162542 /nfs/dbraw/zinc/16/25/42/1006162542.db2.gz SUNQODRKXZVPJZ-UHFFFAOYSA-N -1 0 313.333 -0.327 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)NCCOCCOCC(=O)[O-] ZINC001594487653 1017028100 /nfs/dbraw/zinc/02/81/00/1017028100.db2.gz WBLLVLZKBLUFJF-UHFFFAOYSA-N -1 0 321.355 -0.875 20 0 DBADRM Cc1nnn(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)c1C ZINC001594494397 1017028345 /nfs/dbraw/zinc/02/83/45/1017028345.db2.gz YLKLQKOOPPXFNF-UHFFFAOYSA-N -1 0 316.339 -0.755 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)C[C@@H](C)S1(=O)=O ZINC001594489232 1017029261 /nfs/dbraw/zinc/02/92/61/1017029261.db2.gz OPIVLYIJDWLXBE-HTQZYQBOSA-N -1 0 315.351 -0.234 20 0 DBADRM Cc1nnnn1-c1cccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001594494149 1017029869 /nfs/dbraw/zinc/02/98/69/1017029869.db2.gz RFXTYBVRVANATH-CYBMUJFWSA-N -1 0 320.309 -0.072 20 0 DBADRM Cc1nnc(CN(C)CC(=O)NCC2(C(=O)[O-])CCC2)n1C ZINC001594491375 1017030053 /nfs/dbraw/zinc/03/00/53/1017030053.db2.gz WDUNTLQROIHRDL-UHFFFAOYSA-N -1 0 309.370 -0.074 20 0 DBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1C ZINC001594493186 1017030232 /nfs/dbraw/zinc/03/02/32/1017030232.db2.gz SRIITXGXBUNROI-VIFPVBQESA-N -1 0 322.321 -0.652 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1C[C@@H](C)O[C@H](CO)C1 ZINC001594499598 1017031784 /nfs/dbraw/zinc/03/17/84/1017031784.db2.gz OFQMEQOEHJDMLS-WZRBSPASSA-N -1 0 314.382 -0.220 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001594500215 1017031922 /nfs/dbraw/zinc/03/19/22/1017031922.db2.gz STAJVSPRNMEVEE-SECBINFHSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@@H]1CN(CCC(=O)N(C)CC(=O)[O-])C[C@@H](C)S1(=O)=O ZINC001594509061 1017032898 /nfs/dbraw/zinc/03/28/98/1017032898.db2.gz NJSPNPGYENLJKH-NXEZZACHSA-N -1 0 306.384 -0.573 20 0 DBADRM C[C@H]1C[C@H](NC(=O)CCCC(N)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001440652862 1006252640 /nfs/dbraw/zinc/25/26/40/1006252640.db2.gz MLYNXSMOUSOGOE-VHSXEESVSA-N -1 0 324.385 -0.365 20 0 DBADRM CN(CCNC(=O)c1ccsc1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429150696 1006252768 /nfs/dbraw/zinc/25/27/68/1006252768.db2.gz OKGFDVXJVXKUAL-UHFFFAOYSA-N -1 0 323.334 -0.154 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2cnn(C)c2)c1[O-] ZINC001429154743 1006252793 /nfs/dbraw/zinc/25/27/93/1006252793.db2.gz QQHZYEKRTGYBJO-UHFFFAOYSA-N -1 0 306.326 -0.341 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)CCCS(C)(=O)=O ZINC001594516394 1017035065 /nfs/dbraw/zinc/03/50/65/1017035065.db2.gz WAJCFHYUHKIDSY-LLVKDONJSA-N -1 0 320.411 -0.181 20 0 DBADRM Cc1cc(C(=O)NCCN(C)C(=O)c2n[nH]c(C)c2[O-])n(C)n1 ZINC001429170553 1006258624 /nfs/dbraw/zinc/25/86/24/1006258624.db2.gz BLYVVWXRLKVKPS-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc(C=O)n(C)n1 ZINC001594519871 1017035912 /nfs/dbraw/zinc/03/59/12/1017035912.db2.gz HUEKANCQNDBEFR-JTQLQIEISA-N -1 0 308.338 -0.146 20 0 DBADRM O=C(CCCF)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001440699320 1006271236 /nfs/dbraw/zinc/27/12/36/1006271236.db2.gz ZZNIUDRPXFLAEW-UHFFFAOYSA-N -1 0 315.349 -0.297 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)NCCC1CC1 ZINC001594514475 1017036490 /nfs/dbraw/zinc/03/64/90/1017036490.db2.gz YJRIBMIJTBMCAQ-NSHDSACASA-N -1 0 311.382 -0.090 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2ccncn2)c1[O-] ZINC001429218696 1006293992 /nfs/dbraw/zinc/29/39/92/1006293992.db2.gz LOEGMWXXSJKSDT-UHFFFAOYSA-N -1 0 304.310 -0.284 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NCc2cnn(C)n2)c1[O-] ZINC001440780704 1006305149 /nfs/dbraw/zinc/30/51/49/1006305149.db2.gz VBYQCWJJHIQAET-HTQZYQBOSA-N -1 0 307.358 -0.151 20 0 DBADRM C[C@@H](NCc1ncccn1)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001440850859 1006329008 /nfs/dbraw/zinc/32/90/08/1006329008.db2.gz UZRQVVSMPKEILX-BDAKNGLRSA-N -1 0 321.341 -0.838 20 0 DBADRM C[C@H]1CN(CCO)CCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001594532086 1017041699 /nfs/dbraw/zinc/04/16/99/1017041699.db2.gz TYDXGDGOAIHRCN-JTQLQIEISA-N -1 0 306.384 -0.821 20 0 DBADRM C[C@@H]1CN(CCNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CCO1 ZINC001594527483 1017041817 /nfs/dbraw/zinc/04/18/17/1017041817.db2.gz KGJCDCZYVUPUOY-IJLUTSLNSA-N -1 0 315.370 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)CC(=O)N2CCC2)c1[O-] ZINC001440910607 1006352335 /nfs/dbraw/zinc/35/23/35/1006352335.db2.gz FTOWIJKSTUFVLT-SECBINFHSA-N -1 0 309.370 -0.294 20 0 DBADRM C[C@@H]1CN(CCNC(=O)Nc2cc(C(=O)[O-])n(C)n2)CCO1 ZINC001594526585 1017044351 /nfs/dbraw/zinc/04/43/51/1017044351.db2.gz AANOUTOEKPEORH-SECBINFHSA-N -1 0 311.342 -0.040 20 0 DBADRM C[C@H]1CN(CCNS(=O)(=O)c2ccc(C(=O)[O-])o2)CCO1 ZINC001594532352 1017044570 /nfs/dbraw/zinc/04/45/70/1017044570.db2.gz WYCHDPNYJRJAOH-VIFPVBQESA-N -1 0 318.351 -0.023 20 0 DBADRM C[C@@H]1CN(CCNS(=O)(=O)C2(C(=O)[O-])CCC2)CCO1 ZINC001594531045 1017044881 /nfs/dbraw/zinc/04/48/81/1017044881.db2.gz GMVJATYALSVWAK-SNVBAGLBSA-N -1 0 306.384 -0.366 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C[C@@]1(C)CO ZINC001594553623 1017045809 /nfs/dbraw/zinc/04/58/09/1017045809.db2.gz DQXDYBIEGLWMPD-CPCISQLKSA-N -1 0 303.340 -0.253 20 0 DBADRM C[C@@H]1CN=C(N2CCN(C(=O)COCC(=O)[O-])CC2)S1 ZINC001594585116 1017046153 /nfs/dbraw/zinc/04/61/53/1017046153.db2.gz UGOIELMLVVKRKF-SECBINFHSA-N -1 0 301.368 -0.277 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CCN1CCO ZINC001594555608 1017046395 /nfs/dbraw/zinc/04/63/95/1017046395.db2.gz OUKPLAHLZRFXBC-VIFPVBQESA-N -1 0 318.351 -0.335 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C[C@@H](CO)O1 ZINC001594551279 1017046669 /nfs/dbraw/zinc/04/66/69/1017046669.db2.gz YXZIUJLAKOFATD-UWVGGRQHSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@H]1CNc2c(C(=O)N3CCN(CC(=O)[O-])CC3)cnn2C1 ZINC001594585150 1017046904 /nfs/dbraw/zinc/04/69/04/1017046904.db2.gz UZWWIPOFDGZMNR-JTQLQIEISA-N -1 0 307.354 -0.213 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C[C@@H](C)C1O ZINC001594555057 1017047090 /nfs/dbraw/zinc/04/70/90/1017047090.db2.gz TWZWODJJRAEQPM-RNFRBKRXSA-N -1 0 303.340 -0.255 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC(=O)N1C ZINC001594555986 1017048064 /nfs/dbraw/zinc/04/80/64/1017048064.db2.gz WAHJEDRMKPLYLZ-ZETCQYMHSA-N -1 0 302.308 -0.171 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@]2(F)CCOC2)c1[O-] ZINC001429438711 1006405220 /nfs/dbraw/zinc/40/52/20/1006405220.db2.gz KFZFUZDPIAQXTK-ZDUSSCGKSA-N -1 0 314.317 -0.259 20 0 DBADRM C[C@H]1COCC[C@@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001594595827 1017049157 /nfs/dbraw/zinc/04/91/57/1017049157.db2.gz LOVIIVFBTMFGQC-AVWBDOJWSA-N -1 0 319.379 -0.337 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001594607245 1017049223 /nfs/dbraw/zinc/04/92/23/1017049223.db2.gz FUVINIOZCOZBQI-SECBINFHSA-N -1 0 311.342 -0.040 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccsc1 ZINC001441022818 1006427042 /nfs/dbraw/zinc/42/70/42/1006427042.db2.gz VNLDPFZQLONMQI-UHFFFAOYSA-N -1 0 323.378 -0.061 20 0 DBADRM C[C@H]1OCC[C@H]1N(CCO)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594643444 1017056710 /nfs/dbraw/zinc/05/67/10/1017056710.db2.gz GCBHRYGFIKGJRT-VXNVDRBHSA-N -1 0 320.323 -0.467 20 0 DBADRM CO[N-]C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC001441026155 1006429722 /nfs/dbraw/zinc/42/97/22/1006429722.db2.gz QDDLLFDABUGQLK-QMMMGPOBSA-N -1 0 310.372 -0.008 20 0 DBADRM C[C@H]1OCC[C@@H]1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594641961 1017054833 /nfs/dbraw/zinc/05/48/33/1017054833.db2.gz FJAGETCHHNVNCC-BDAKNGLRSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001594649637 1017055241 /nfs/dbraw/zinc/05/52/41/1017055241.db2.gz YMFKPGFMSLTZTG-JMJZKYOTSA-N -1 0 307.368 -0.349 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001594648472 1017055505 /nfs/dbraw/zinc/05/55/05/1017055505.db2.gz JPTBTAUZQALQFH-PEXQALLHSA-N -1 0 318.351 -0.201 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001594648662 1017055722 /nfs/dbraw/zinc/05/57/22/1017055722.db2.gz LTWLJZCDYOMRBN-LPEHRKFASA-N -1 0 323.367 -0.311 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)[C@H]2CCO[C@H]2C)CC1 ZINC001594649430 1017055736 /nfs/dbraw/zinc/05/57/36/1017055736.db2.gz WGJGRBDDIBXQHN-WOPDTQHZSA-N -1 0 320.411 -0.026 20 0 DBADRM C[C@@H]1OCC[C@@H]1N(CCO)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001594646541 1017055756 /nfs/dbraw/zinc/05/57/56/1017055756.db2.gz YKZIOKRUGNZTQM-AAEUAGOBSA-N -1 0 314.382 -0.219 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001594649505 1017055773 /nfs/dbraw/zinc/05/57/73/1017055773.db2.gz XCYDELKEEJRQGM-UMNHJUIQSA-N -1 0 317.367 -0.177 20 0 DBADRM C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NCCCC(=O)[O-])CCO2 ZINC001594643397 1017055940 /nfs/dbraw/zinc/05/59/40/1017055940.db2.gz UQOMMXHOTCJZTD-IINYFYTJSA-N -1 0 314.338 -0.626 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNC(=O)COCc1ocnc1C(=O)[O-] ZINC001594640743 1017056168 /nfs/dbraw/zinc/05/61/68/1017056168.db2.gz SZVUFNOSCOFJRU-AMIZOPFISA-N -1 0 314.294 -0.455 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594639689 1017056213 /nfs/dbraw/zinc/05/62/13/1017056213.db2.gz JBOXGSJGXLPOID-RTHLEPHNSA-N -1 0 323.305 -0.626 20 0 DBADRM C[C@H]1OCC[C@@H]1C(=O)N(C)CCNc1ccnc(C(=O)[O-])n1 ZINC001594643155 1017056370 /nfs/dbraw/zinc/05/63/70/1017056370.db2.gz RJFTZOSXYLVQNI-ZJUUUORDSA-N -1 0 308.338 -0.108 20 0 DBADRM C[C@H]1OCC[C@@]12CN(Cn1nc(C(=O)[O-])ccc1=O)CCO2 ZINC001594641785 1017056528 /nfs/dbraw/zinc/05/65/28/1017056528.db2.gz BHOGVXUPVQQXJG-QMTHXVAHSA-N -1 0 309.322 -0.221 20 0 DBADRM C[C@@H]1CO[C@@H](C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001594587025 1017050861 /nfs/dbraw/zinc/05/08/61/1017050861.db2.gz MXQSAIXWEFJZBO-ZOWXZIJZSA-N -1 0 312.366 -0.201 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429530901 1006464287 /nfs/dbraw/zinc/46/42/87/1006464287.db2.gz VDZWSVDATWHYOJ-SFYZADRCSA-N -1 0 309.326 -0.483 20 0 DBADRM C[C@H]1CS(=O)(=O)CCCN1C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001594610630 1017052624 /nfs/dbraw/zinc/05/26/24/1017052624.db2.gz RMTLLFAEEQKIBF-VIFPVBQESA-N -1 0 315.351 -0.383 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001594630900 1017053896 /nfs/dbraw/zinc/05/38/96/1017053896.db2.gz CRLUHPKRRQZJRR-JXUBOQSCSA-N -1 0 300.311 -0.131 20 0 DBADRM C[C@H]1Oc2ccccc2N(CC(=O)N[C@@](C)(CO)C(=O)[O-])C1=O ZINC001594655202 1017057232 /nfs/dbraw/zinc/05/72/32/1017057232.db2.gz OPMXABGXJPTJGR-PSLIRLAXSA-N -1 0 322.317 -0.248 20 0 DBADRM C[C@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1ccncn1 ZINC001594658568 1017057697 /nfs/dbraw/zinc/05/76/97/1017057697.db2.gz NXLHWKBYJXOEEB-PSASIEDQSA-N -1 0 324.362 -0.029 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])C1 ZINC001594695737 1017057935 /nfs/dbraw/zinc/05/79/35/1017057935.db2.gz NYAAAZNVTYZHRP-ZJUUUORDSA-N -1 0 314.338 -0.423 20 0 DBADRM C[C@@H]1c2nncn2CCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001594671493 1017058712 /nfs/dbraw/zinc/05/87/12/1017058712.db2.gz OSPRJBLQXKATAS-MRVPVSSYSA-N -1 0 300.340 -0.151 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H]1CCN(c2cc(=O)n(C)c(=O)[nH]2)C1 ZINC001594748530 1017063262 /nfs/dbraw/zinc/06/32/62/1017063262.db2.gz KEBRJSCJQHUMRV-DTWKUNHWSA-N -1 0 324.337 -0.708 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001594705539 1017060146 /nfs/dbraw/zinc/06/01/46/1017060146.db2.gz HPVVWHFDSJPGAZ-IWSPIJDZSA-N -1 0 302.352 -0.656 20 0 DBADRM CCC(=O)N1CCN(CCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001594705449 1017060171 /nfs/dbraw/zinc/06/01/71/1017060171.db2.gz FZIYQQYIIAJRPE-NEPJUHHUSA-N -1 0 311.382 -0.232 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001594705955 1017060409 /nfs/dbraw/zinc/06/04/09/1017060409.db2.gz IQENCJIDFPGJBZ-UTLUCORTSA-N -1 0 314.338 -0.234 20 0 DBADRM CCC(=O)N1CCC[C@](CO)(Nc2ccnc(C(=O)[O-])n2)C1 ZINC001594701870 1017060648 /nfs/dbraw/zinc/06/06/48/1017060648.db2.gz UUXJMFFTTSFJGB-AWEZNQCLSA-N -1 0 308.338 -0.228 20 0 DBADRM CCC(=O)NCC(=O)N(C)CCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001594707808 1017061670 /nfs/dbraw/zinc/06/16/70/1017061670.db2.gz LNIVUHVKQRRVEW-VHSXEESVSA-N -1 0 313.354 -0.850 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001594718832 1017061813 /nfs/dbraw/zinc/06/18/13/1017061813.db2.gz KZCXPJILXLZEQF-WDEREUQCSA-N -1 0 312.347 -0.372 20 0 DBADRM CC(C)[C@@H](O)C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001441273219 1006556322 /nfs/dbraw/zinc/55/63/22/1006556322.db2.gz YYSDFSXJQRCUQS-MWGHHZFTSA-N -1 0 309.370 -0.679 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001594747671 1017062460 /nfs/dbraw/zinc/06/24/60/1017062460.db2.gz AZKBVQZZPBKHBT-UTLUCORTSA-N -1 0 306.384 -0.069 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 ZINC001594745566 1017062655 /nfs/dbraw/zinc/06/26/55/1017062655.db2.gz VPEANHQYVNOREN-JTQLQIEISA-N -1 0 321.399 -0.516 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001594742412 1017062809 /nfs/dbraw/zinc/06/28/09/1017062809.db2.gz BOPYPPLVZSZBMJ-VHSXEESVSA-N -1 0 306.384 -0.115 20 0 DBADRM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001594868578 1017067898 /nfs/dbraw/zinc/06/78/98/1017067898.db2.gz YFHXRUYVLQHWNY-JXUBOQSCSA-N -1 0 318.395 -0.116 20 0 DBADRM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001594867852 1017068011 /nfs/dbraw/zinc/06/80/11/1017068011.db2.gz UJXFMAIOBWKOMT-VGMNWLOBSA-N -1 0 304.368 -0.504 20 0 DBADRM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001594867488 1017068094 /nfs/dbraw/zinc/06/80/94/1017068094.db2.gz RASQHHUGZVTAPU-IUCAKERBSA-N -1 0 316.379 -0.408 20 0 DBADRM CC[C@@](C)(O)CNC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001594859319 1017068108 /nfs/dbraw/zinc/06/81/08/1017068108.db2.gz OOETXYBNSLAMLI-CYBMUJFWSA-N -1 0 312.326 -0.508 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001594853497 1017068121 /nfs/dbraw/zinc/06/81/21/1017068121.db2.gz YTPXUQYQTZLWBD-BXKDBHETSA-N -1 0 304.368 -0.078 20 0 DBADRM CCCN(CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C(C)=O ZINC001429827466 1006578753 /nfs/dbraw/zinc/57/87/53/1006578753.db2.gz SQUNJZIMGHDMAO-UHFFFAOYSA-N -1 0 311.342 -0.410 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@@H]1COC(=O)N1)C(=O)[O-] ZINC001594904713 1017069063 /nfs/dbraw/zinc/06/90/63/1017069063.db2.gz NCTYPZPPLXOVKC-ZKWXMUAHSA-N -1 0 302.283 -0.747 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001594897939 1017069092 /nfs/dbraw/zinc/06/90/92/1017069092.db2.gz TVNIUHJJDWCCOH-XKSSXDPKSA-N -1 0 323.367 -0.422 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@H]1CCN(C)C1=O)C(=O)[O-] ZINC001594895230 1017069515 /nfs/dbraw/zinc/06/95/15/1017069515.db2.gz BNQQGEDNAANNHR-ATZCPNFKSA-N -1 0 314.338 -0.377 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC001594745436 1017063881 /nfs/dbraw/zinc/06/38/81/1017063881.db2.gz SCNDKSMGUOFKPN-SNVBAGLBSA-N -1 0 320.349 -0.060 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 ZINC001594742923 1017063997 /nfs/dbraw/zinc/06/39/97/1017063997.db2.gz JAUDRMLEGUTNKZ-VHSXEESVSA-N -1 0 306.384 -0.115 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)NCC(=O)OC ZINC001594742770 1017064272 /nfs/dbraw/zinc/06/42/72/1017064272.db2.gz HNACWSXSTDGMJK-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)CN(C)C(C)=O)C(=O)[O-] ZINC001594895308 1017069919 /nfs/dbraw/zinc/06/99/19/1017069919.db2.gz CHABSJMVFNSRIM-PELKAZGASA-N -1 0 302.327 -0.377 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)Cn1c(=O)ccn(CC)c1=O)C(=O)[O-] ZINC001594908705 1017069626 /nfs/dbraw/zinc/06/96/26/1017069626.db2.gz JIQUNBKBABQXLP-BXKDBHETSA-N -1 0 311.338 -0.355 20 0 DBADRM CC[C@@](C)(CCO)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001594830790 1017065471 /nfs/dbraw/zinc/06/54/71/1017065471.db2.gz SORZWQPZYJDRNG-HZMBPMFUSA-N -1 0 300.355 -0.023 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCN(C(=O)CC1CC1)C1CC1 ZINC001429917029 1006619373 /nfs/dbraw/zinc/61/93/73/1006619373.db2.gz KEGLWDYUYDPGFK-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CC[C@@H](C(=O)OC)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001594774042 1017066025 /nfs/dbraw/zinc/06/60/25/1017066025.db2.gz DUIAIAIABORLQV-FZMZJTMJSA-N -1 0 300.355 -0.201 20 0 DBADRM CC[C@@](C)(NC(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)C(=O)[O-] ZINC001594835174 1017066352 /nfs/dbraw/zinc/06/63/52/1017066352.db2.gz FZQMVADJADLCIA-LKFCYVNXSA-N -1 0 315.370 -0.238 20 0 DBADRM CC[C@@](C)(C(=O)[O-])[N@@H+](CC(=O)N1CCNC(=O)C1)CC1CC1 ZINC001594777945 1017066743 /nfs/dbraw/zinc/06/67/43/1017066743.db2.gz GPMZJGBLWDLUAX-HNNXBMFYSA-N -1 0 311.382 -0.090 20 0 DBADRM CC[C@@](C)(NC(=O)c1nc2ncc(CCO)cn2n1)C(=O)[O-] ZINC001594847644 1017066863 /nfs/dbraw/zinc/06/68/63/1017066863.db2.gz IOBSCIHXBUYZAF-CYBMUJFWSA-N -1 0 307.310 -0.358 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cn(C3CCC3)nn2)CC1 ZINC001594828295 1017067066 /nfs/dbraw/zinc/06/70/66/1017067066.db2.gz QRXAXTQHDCNTMZ-UHFFFAOYSA-N -1 0 307.310 -0.628 20 0 DBADRM CC(C)[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001429963438 1006637784 /nfs/dbraw/zinc/63/77/84/1006637784.db2.gz YKECFBDDEAMKDF-IUCAKERBSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(C)CC(=O)N[C@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001430128109 1006700147 /nfs/dbraw/zinc/70/01/47/1006700147.db2.gz RDPUKKUOEHHMKF-MGCOHNPYSA-N -1 0 322.365 -0.091 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)C2CC2)C1 ZINC001430231696 1006781719 /nfs/dbraw/zinc/78/17/19/1006781719.db2.gz WLFDXWYNSOFCFN-UHFFFAOYSA-N -1 0 309.326 -0.794 20 0 DBADRM Cc1nc(C)c(CN[C@@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001441678932 1006804417 /nfs/dbraw/zinc/80/44/17/1006804417.db2.gz ANFAVWFIXTZWCX-SNVBAGLBSA-N -1 0 323.353 -0.091 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)Cc2cc[nH]n2)c1[O-] ZINC001430482410 1006870415 /nfs/dbraw/zinc/87/04/15/1006870415.db2.gz UGBLYGMUWFSSOX-ZETCQYMHSA-N -1 0 306.326 -0.376 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@@H]2CCC(=O)N2C)c1[O-] ZINC001430481463 1006870628 /nfs/dbraw/zinc/87/06/28/1006870628.db2.gz PQLDXTYJUXTIHK-CBAPKCEASA-N -1 0 323.353 -0.721 20 0 DBADRM CC[C@@H](C)CC(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001430508167 1006875613 /nfs/dbraw/zinc/87/56/13/1006875613.db2.gz PXKZRDAPIKJSQI-BDAKNGLRSA-N -1 0 313.358 -0.254 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C23CC(C(=O)[O-])(C2)C3)O1 ZINC001598116252 1017233570 /nfs/dbraw/zinc/23/35/70/1017233570.db2.gz ALSFBCNVPBAYQP-OAAXVMEWSA-N -1 0 310.350 -0.007 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)Cn2ccc(C(=O)[O-])n2)O1 ZINC001598116771 1017233741 /nfs/dbraw/zinc/23/37/41/1017233741.db2.gz FLHOFYPMFOAOJH-MWLCHTKSSA-N -1 0 324.337 -0.667 20 0 DBADRM CN(C(=O)c1nccnc1N)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598105015 1017234215 /nfs/dbraw/zinc/23/42/15/1017234215.db2.gz ZUJOVFBFAFNALF-IUCAKERBSA-N -1 0 319.321 -0.938 20 0 DBADRM CN(C)C(=O)[C@@H]1CCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC001598118919 1017234231 /nfs/dbraw/zinc/23/42/31/1017234231.db2.gz LMKCWOQXLBWNFI-SECBINFHSA-N -1 0 307.372 -0.952 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C23CC(C(=O)[O-])(C2)C3)O1 ZINC001598116250 1017234341 /nfs/dbraw/zinc/23/43/41/1017234341.db2.gz ALSFBCNVPBAYQP-KYAJGSDZSA-N -1 0 310.350 -0.007 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)O1 ZINC001598116484 1017234372 /nfs/dbraw/zinc/23/43/72/1017234372.db2.gz CMVOLHORDNVRFL-VLEAKVRGSA-N -1 0 314.338 -0.629 20 0 DBADRM CN(C)C(=O)[C@@H]1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001598118472 1017234381 /nfs/dbraw/zinc/23/43/81/1017234381.db2.gz HKYGALIMNGQSCX-MXWKQRLJSA-N -1 0 318.395 -0.020 20 0 DBADRM CN(C(=O)c1cnon1)[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001598097403 1017234452 /nfs/dbraw/zinc/23/44/52/1017234452.db2.gz FYYZFIXTXVPWMI-MRVPVSSYSA-N -1 0 318.293 -0.091 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001598106839 1017234573 /nfs/dbraw/zinc/23/45/73/1017234573.db2.gz VSYGDIZMUZNMJQ-SFHVURJKSA-N -1 0 315.417 -0.009 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC001598129870 1017235512 /nfs/dbraw/zinc/23/55/12/1017235512.db2.gz CLJXNNRLSOKPQU-UHFFFAOYSA-N -1 0 320.349 -0.374 20 0 DBADRM CN(C)C(=O)CN1CCCN(Cc2cnc(C(=O)[O-])cn2)CC1 ZINC001598130167 1017236728 /nfs/dbraw/zinc/23/67/28/1017236728.db2.gz RPVYOPBFEBXKNO-UHFFFAOYSA-N -1 0 321.381 -0.229 20 0 DBADRM CN(C)C(=O)CCC[S@](=O)CCc1cn(CC(=O)[O-])nn1 ZINC001598124450 1017237019 /nfs/dbraw/zinc/23/70/19/1017237019.db2.gz ILPYCSJYWCPXNZ-NRFANRHFSA-N -1 0 316.383 -0.478 20 0 DBADRM CN(C)C(=O)N1CCN(Cc2cn(CC(=O)[O-])nn2)C(C)(C)C1 ZINC001598139587 1017239590 /nfs/dbraw/zinc/23/95/90/1017239590.db2.gz UZVBBPJXIHPPQP-UHFFFAOYSA-N -1 0 324.385 -0.060 20 0 DBADRM CN(C)C(=O)N1CCN(CN2C[C@@H](C(=O)[O-])OC2=O)CC1 ZINC001598139569 1017239600 /nfs/dbraw/zinc/23/96/00/1017239600.db2.gz SZSCQKYGXSVZCY-VIFPVBQESA-N -1 0 300.315 -0.852 20 0 DBADRM CN(C)C(=O)c1ccnc(NC(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001598162753 1017241724 /nfs/dbraw/zinc/24/17/24/1017241724.db2.gz LPZAJPCDKRRGPY-VIFPVBQESA-N -1 0 310.310 -0.260 20 0 DBADRM CN(C)C1(CS(=O)(=O)N2CCN(CC(=O)[O-])CC2)CC1 ZINC001598184336 1017241796 /nfs/dbraw/zinc/24/17/96/1017241796.db2.gz PNLBQMHYMJAESK-UHFFFAOYSA-N -1 0 305.400 -0.887 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CCN(Cc2nncn2C)CC1 ZINC001597997929 1017226540 /nfs/dbraw/zinc/22/65/40/1017226540.db2.gz CNXJSVQIKKIWQB-NWDGAFQWSA-N -1 0 321.381 -0.041 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)Cc2ccc[nH]2)C1 ZINC001597998316 1017227124 /nfs/dbraw/zinc/22/71/24/1017227124.db2.gz KTFWVJIQDWRPEL-NEPJUHHUSA-N -1 0 305.334 -0.053 20 0 DBADRM CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C1(C(=O)[O-])CCCCC1 ZINC001597997566 1017227137 /nfs/dbraw/zinc/22/71/37/1017227137.db2.gz WSFNTQLSIJFLNV-IJLUTSLNSA-N -1 0 313.350 -0.355 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)CCCC(N)=O)C1 ZINC001597998340 1017227154 /nfs/dbraw/zinc/22/71/54/1017227154.db2.gz LAYILSXGHZBGAA-VHSXEESVSA-N -1 0 311.338 -0.968 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001597997771 1017227172 /nfs/dbraw/zinc/22/71/72/1017227172.db2.gz AYXMXOOQQBWRJS-RKDXNWHRSA-N -1 0 320.305 -0.814 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(CCCS(C)(=O)=O)C1 ZINC001597998875 1017228262 /nfs/dbraw/zinc/22/82/62/1017228262.db2.gz WQQDMIFYSITKOG-WDEREUQCSA-N -1 0 318.395 -0.716 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001597998781 1017229464 /nfs/dbraw/zinc/22/94/64/1017229464.db2.gz UTEXHWKBWQTECU-RYUDHWBXSA-N -1 0 319.317 -0.677 20 0 DBADRM CN(C(=O)CC(N)=O)C1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001598008661 1017229556 /nfs/dbraw/zinc/22/95/56/1017229556.db2.gz YIVZXCNOXOGZSC-UHFFFAOYSA-N -1 0 321.337 -0.523 20 0 DBADRM CN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@H](COC1CCC1)C(=O)[O-] ZINC001598002254 1017229735 /nfs/dbraw/zinc/22/97/35/1017229735.db2.gz BGELBHPBIOXZFX-GXSJLCMTSA-N -1 0 319.379 -0.098 20 0 DBADRM CN(C(=O)c1ccc(C(=O)[O-])n1C)N1CCS(=O)(=O)CC1 ZINC001598082810 1017231927 /nfs/dbraw/zinc/23/19/27/1017231927.db2.gz IVXNJAPCMKRDSD-UHFFFAOYSA-N -1 0 315.351 -0.559 20 0 DBADRM CN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC001598072459 1017232361 /nfs/dbraw/zinc/23/23/61/1017232361.db2.gz MOJJZBWUCZZLFE-WDEREUQCSA-N -1 0 318.395 -0.020 20 0 DBADRM CN(C(=O)c1nccnc1N)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598105014 1017232822 /nfs/dbraw/zinc/23/28/22/1017232822.db2.gz ZUJOVFBFAFNALF-DTWKUNHWSA-N -1 0 319.321 -0.938 20 0 DBADRM CN(C(=O)c1cnn(C)c1N)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598098545 1017232900 /nfs/dbraw/zinc/23/29/00/1017232900.db2.gz PKVZPQZNCKPGOA-IUCAKERBSA-N -1 0 321.337 -0.994 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)Cn2ccnc2)c1[O-] ZINC001431002045 1007128766 /nfs/dbraw/zinc/12/87/66/1007128766.db2.gz OAJLJRAJCYZCRN-VIFPVBQESA-N -1 0 320.353 -0.197 20 0 DBADRM CC(C)C[C@H](CNC(=O)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431113180 1007190432 /nfs/dbraw/zinc/19/04/32/1007190432.db2.gz KSYNRFLOITWNMR-SECBINFHSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@H](C)CC(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431220359 1007281998 /nfs/dbraw/zinc/28/19/98/1007281998.db2.gz VCLUALUPOFNPQO-QMMMGPOBSA-N -1 0 311.342 -0.093 20 0 DBADRM Cc1cnn(C)c1C(=O)N(C)CCNC(=O)c1cnc[nH]c1=O ZINC001431321384 1007347385 /nfs/dbraw/zinc/34/73/85/1007347385.db2.gz HCJISLFFHMMFAJ-UHFFFAOYSA-N -1 0 318.337 -0.274 20 0 DBADRM CN(CCN(C)C(=O)C1=CCCC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001431357168 1007368407 /nfs/dbraw/zinc/36/84/07/1007368407.db2.gz VROYMCZJNNQGGV-UHFFFAOYSA-N -1 0 323.353 -0.284 20 0 DBADRM CCCC(=O)N(C)CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001431356321 1007371135 /nfs/dbraw/zinc/37/11/35/1007371135.db2.gz AEZCXLIJIQTMLW-UHFFFAOYSA-N -1 0 311.342 -0.410 20 0 DBADRM CC[C@]1(C)C[C@@H]1C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431398593 1007396250 /nfs/dbraw/zinc/39/62/50/1007396250.db2.gz WWOFYYYSZUTEBW-XLKFXECMSA-N -1 0 323.353 -0.093 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)CC(C)(F)F ZINC001431409174 1007398418 /nfs/dbraw/zinc/39/84/18/1007398418.db2.gz GQKMESXTXAZPRW-UHFFFAOYSA-N -1 0 321.284 -0.691 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)CCCF ZINC001431417239 1007412889 /nfs/dbraw/zinc/41/28/89/1007412889.db2.gz VWJDWIVCHRWOFF-UHFFFAOYSA-N -1 0 303.294 -0.986 20 0 DBADRM CN(CCNC(=O)C1(F)CCOCC1)Cc1n[nH]c(=O)[n-]1 ZINC001442424684 1007431149 /nfs/dbraw/zinc/43/11/49/1007431149.db2.gz QLQKMWHLOBJIIL-UHFFFAOYSA-N -1 0 301.322 -0.423 20 0 DBADRM O=C(NC[C@@H](O)CNC(=O)C1CC1)c1ccc2oc(=O)nc-2[n-]1 ZINC001431467269 1007463648 /nfs/dbraw/zinc/46/36/48/1007463648.db2.gz RZXSUSUUJTZZIA-QMMMGPOBSA-N -1 0 320.305 -0.455 20 0 DBADRM COCc1cc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001442534230 1007531451 /nfs/dbraw/zinc/53/14/51/1007531451.db2.gz JTZQKLDEFQHBPH-UHFFFAOYSA-N -1 0 310.314 -0.494 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1cccnc1 ZINC001442590954 1007565279 /nfs/dbraw/zinc/56/52/79/1007565279.db2.gz GHLAKCLWYSVURW-UHFFFAOYSA-N -1 0 306.326 -0.668 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])Cc1nnn(C)n1 ZINC001442655608 1007599445 /nfs/dbraw/zinc/59/94/45/1007599445.db2.gz PYZTWHOEBSTGFV-UHFFFAOYSA-N -1 0 308.346 -0.801 20 0 DBADRM CCN(CCNC(=O)c1ccco1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001431576034 1007614585 /nfs/dbraw/zinc/61/45/85/1007614585.db2.gz ZLEMDCVDDORJMT-UHFFFAOYSA-N -1 0 323.309 -0.439 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1cscn1 ZINC001442689702 1007617465 /nfs/dbraw/zinc/61/74/65/1007617465.db2.gz AHWNIMPNHSWRHN-UHFFFAOYSA-N -1 0 324.366 -0.009 20 0 DBADRM CCN(CCF)CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001442691165 1007617852 /nfs/dbraw/zinc/61/78/52/1007617852.db2.gz HCKUIPULXHZOKB-UHFFFAOYSA-N -1 0 301.322 -0.377 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)Cn2ccnc2C)c1[O-] ZINC001431640280 1007651581 /nfs/dbraw/zinc/65/15/81/1007651581.db2.gz DCSRIJVGBBEGQF-MRVPVSSYSA-N -1 0 320.353 -0.137 20 0 DBADRM O=C(C[C@H]1CCC(=O)N1)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001442826848 1007673338 /nfs/dbraw/zinc/67/33/38/1007673338.db2.gz YOZWSLWRIHGVEG-ZJUUUORDSA-N -1 0 322.369 -0.740 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN1CCOC[C@H]1CC(=O)[O-] ZINC001598282964 1017255165 /nfs/dbraw/zinc/25/51/65/1017255165.db2.gz QUHDKALRHPPIOW-GSDQLPOLSA-N -1 0 307.372 -0.737 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)[C@@H]1CC12CC2 ZINC001442861237 1007689627 /nfs/dbraw/zinc/68/96/27/1007689627.db2.gz IQIUTFBJMYFNPR-SFYZADRCSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(C)[C@@H](C)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431750929 1007697492 /nfs/dbraw/zinc/69/74/92/1007697492.db2.gz ORNXKDSGAMGYLC-HTQZYQBOSA-N -1 0 311.342 -0.191 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2cnccn2)c1[O-] ZINC001431766247 1007702643 /nfs/dbraw/zinc/70/26/43/1007702643.db2.gz KJHPSODPNFDOAZ-ZETCQYMHSA-N -1 0 304.310 -0.238 20 0 DBADRM O=C(Cc1c[nH]cn1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001442898052 1007705005 /nfs/dbraw/zinc/70/50/05/1007705005.db2.gz QSZYOEMDAPVTLC-VIFPVBQESA-N -1 0 305.342 -0.586 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC001598260040 1017248955 /nfs/dbraw/zinc/24/89/55/1017248955.db2.gz URSDOXRLLMIMTD-UHFFFAOYSA-N -1 0 304.368 -0.124 20 0 DBADRM CN(C)Cc1cc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])no1 ZINC001598246838 1017249346 /nfs/dbraw/zinc/24/93/46/1017249346.db2.gz BLGLMJFGUYFTHU-SNVBAGLBSA-N -1 0 310.310 -0.896 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001598260143 1017249656 /nfs/dbraw/zinc/24/96/56/1017249656.db2.gz XYAVXAMBRBPYSE-LBPRGKRZSA-N -1 0 306.384 -0.019 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N[C@@H](C(=O)[O-])c1cccnc1 ZINC001598261533 1017250381 /nfs/dbraw/zinc/25/03/81/1017250381.db2.gz BZWRDFNAQADFFZ-LLVKDONJSA-N -1 0 315.351 -0.395 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001598266884 1017251671 /nfs/dbraw/zinc/25/16/71/1017251671.db2.gz IMKSVGSLQVFPOQ-SNVBAGLBSA-N -1 0 321.399 -0.468 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001598261586 1017251750 /nfs/dbraw/zinc/25/17/50/1017251750.db2.gz DTDPHNDONCBBJK-LLVKDONJSA-N -1 0 308.356 -0.982 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)Cc1n[nH]c(=O)[n-]1 ZINC001442958781 1007732401 /nfs/dbraw/zinc/73/24/01/1007732401.db2.gz DREWRHPFSBSLAS-VHSXEESVSA-N -1 0 324.385 -0.650 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001598261587 1017252557 /nfs/dbraw/zinc/25/25/57/1017252557.db2.gz DTDPHNDONCBBJK-NSHDSACASA-N -1 0 308.356 -0.982 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N[C@H](C(=O)[O-])c1ccccn1 ZINC001598261736 1017252737 /nfs/dbraw/zinc/25/27/37/1017252737.db2.gz JCTNABAWLPCYCD-NSHDSACASA-N -1 0 315.351 -0.395 20 0 DBADRM CN(C)S(=O)(=O)N1CC(NCc2ccc(C(=O)[O-])[nH]2)C1 ZINC001598265435 1017252861 /nfs/dbraw/zinc/25/28/61/1017252861.db2.gz RZQQXPKVVIUCBB-UHFFFAOYSA-N -1 0 302.356 -0.707 20 0 DBADRM C[C@H]1CC[C@@](NC(=O)CNS(=O)(=O)N(C)C)(C(=O)[O-])CC1 ZINC001598266674 1017253058 /nfs/dbraw/zinc/25/30/58/1017253058.db2.gz FNRWFEKHMFTUCB-OTCDBFHCSA-N -1 0 321.399 -0.468 20 0 DBADRM CN(C)c1ccc(C(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cn1 ZINC001598312725 1017254908 /nfs/dbraw/zinc/25/49/08/1017254908.db2.gz OGZPWYVHASYLKA-QWRGUYRKSA-N -1 0 320.349 -0.286 20 0 DBADRM CC[C@H](C)C(=O)NC1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001432205402 1007849935 /nfs/dbraw/zinc/84/99/35/1007849935.db2.gz DZBJMYDNHFZTID-QMMMGPOBSA-N -1 0 323.353 -0.412 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1C[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001443450582 1007849893 /nfs/dbraw/zinc/84/98/93/1007849893.db2.gz SVXOSDDRTOKKMV-MGCOHNPYSA-N -1 0 323.353 -0.816 20 0 DBADRM CC1(C(=O)NC[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001443514536 1007866731 /nfs/dbraw/zinc/86/67/31/1007866731.db2.gz KSCRVKQLQUENDY-ZKCHVHJHSA-N -1 0 321.337 -0.293 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@@H](CO)[C@H]1CO)C(=O)[O-] ZINC001594894221 1017070316 /nfs/dbraw/zinc/07/03/16/1017070316.db2.gz NSHDSJLNKXYJKJ-FMSGJZPZSA-N -1 0 316.398 -0.333 20 0 DBADRM CCC1(C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CCC1 ZINC001432315169 1007889050 /nfs/dbraw/zinc/88/90/50/1007889050.db2.gz FGDARKLJXSRRKD-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@H](O)C[C@@H]1COC)C(=O)[O-] ZINC001594894454 1017070497 /nfs/dbraw/zinc/07/04/97/1017070497.db2.gz SASYWVSFMVORID-WGBDABJCSA-N -1 0 302.371 -0.317 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCN(CCOC)CC1)C(=O)[O-] ZINC001594894274 1017070874 /nfs/dbraw/zinc/07/08/74/1017070874.db2.gz OMJLEOHPXPCJFD-OCCSQVGLSA-N -1 0 315.414 -0.134 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN[C@]1(C(=O)[O-])CCOC1)C(=O)OC ZINC001594898446 1017070960 /nfs/dbraw/zinc/07/09/60/1017070960.db2.gz XGQIIEKGWPFFAZ-DRCTWCGVSA-N -1 0 316.354 -0.476 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cn1ncn2nccc2c1=O ZINC001594975015 1017071797 /nfs/dbraw/zinc/07/17/97/1017071797.db2.gz VJJFQNGMTHVHEJ-SECBINFHSA-N -1 0 307.310 -0.397 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C/c1nccs1 ZINC001594959824 1017071871 /nfs/dbraw/zinc/07/18/71/1017071871.db2.gz HBIHOHRVBLSBKV-CMLYIYFCSA-N -1 0 316.360 -0.134 20 0 DBADRM CC[C@H](C[C@@H](C)O)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001595035247 1017074211 /nfs/dbraw/zinc/07/42/11/1017074211.db2.gz AYAKCJRFXZIKHS-GMTAPVOTSA-N -1 0 300.355 -0.025 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)Cc2cc[nH]n2)c1[O-] ZINC001443763792 1007920204 /nfs/dbraw/zinc/92/02/04/1007920204.db2.gz VOVIZPPTGRLPIM-MRVPVSSYSA-N -1 0 320.353 -0.034 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1)C(=O)[O-] ZINC001595133875 1017076799 /nfs/dbraw/zinc/07/67/99/1017076799.db2.gz OJYAMEOKTQDOAK-JTQLQIEISA-N -1 0 321.333 -0.120 20 0 DBADRM CC[C@H](F)C(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001432465988 1007945229 /nfs/dbraw/zinc/94/52/29/1007945229.db2.gz JDLRMLIARSVXLK-QMMMGPOBSA-N -1 0 315.305 -0.988 20 0 DBADRM CC[C@@H](C)C(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001432466540 1007946014 /nfs/dbraw/zinc/94/60/14/1007946014.db2.gz OOPURSZWJDVKMV-MRVPVSSYSA-N -1 0 311.342 -0.690 20 0 DBADRM CCC(CO)(CO)NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001595176516 1017078248 /nfs/dbraw/zinc/07/82/48/1017078248.db2.gz SXZCBFZHQFILNA-UHFFFAOYSA-N -1 0 314.342 -0.042 20 0 DBADRM CC[C@@H](COC(=O)CN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001595180582 1017078498 /nfs/dbraw/zinc/07/84/98/1017078498.db2.gz OHHPNZQPOIWOEA-JTQLQIEISA-N -1 0 322.383 -0.782 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)NC1CC(CC(=O)[O-])C1 ZINC001595171436 1017078794 /nfs/dbraw/zinc/07/87/94/1017078794.db2.gz IKCULGMDZXCTCR-KYHHOPLUSA-N -1 0 321.399 -0.133 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@@H]1CC[C@H](C(=O)OC)O1)C(=O)[O-] ZINC001595189588 1017078883 /nfs/dbraw/zinc/07/88/83/1017078883.db2.gz QYDHRVZWMJHTCV-RWEMILLDSA-N -1 0 303.311 -0.297 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001595187473 1017078900 /nfs/dbraw/zinc/07/89/00/1017078900.db2.gz MUBNVFAJJOPCAL-SDBXPKJASA-N -1 0 312.326 -0.458 20 0 DBADRM CC[C@@](COC)(NC(=O)CN(C)S(=O)(=O)CC)C(=O)[O-] ZINC001595188639 1017078920 /nfs/dbraw/zinc/07/89/20/1017078920.db2.gz QTZVTIQHJWZPLA-NSHDSACASA-N -1 0 310.372 -0.736 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)c1ccc(C(=O)[O-])n1C ZINC001595172625 1017079241 /nfs/dbraw/zinc/07/92/41/1017079241.db2.gz JUGADUYOQPOYST-QMMMGPOBSA-N -1 0 317.367 -0.219 20 0 DBADRM CC[C@](COC)(NC(=O)[C@@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001595187470 1017079562 /nfs/dbraw/zinc/07/95/62/1017079562.db2.gz MUBNVFAJJOPCAL-AMIZOPFISA-N -1 0 312.326 -0.458 20 0 DBADRM C[C@]1(NC(=O)C(F)F)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001432504491 1007958439 /nfs/dbraw/zinc/95/84/39/1007958439.db2.gz MDNDBMSAFDMPAJ-NSHDSACASA-N -1 0 317.252 -0.731 20 0 DBADRM CCC(=O)N1CC[C@@](C)(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001432681130 1007992977 /nfs/dbraw/zinc/99/29/77/1007992977.db2.gz AZQXJDUQWQFYLW-HNNXBMFYSA-N -1 0 322.365 -0.136 20 0 DBADRM CC[C@@H](CNC(=O)c1c[n-]n2c1nccc2=O)NC(=O)COC ZINC001432690684 1007994773 /nfs/dbraw/zinc/99/47/73/1007994773.db2.gz GEJZWIGVSPVVDT-VIFPVBQESA-N -1 0 321.337 -0.706 20 0 DBADRM O=C(N[C@H](CO)CNC(=O)C1CC1)c1ccc2oc(=O)nc-2[n-]1 ZINC001444050592 1007998129 /nfs/dbraw/zinc/99/81/29/1007998129.db2.gz UPJSKPXZPBNAFH-QMMMGPOBSA-N -1 0 320.305 -0.455 20 0 DBADRM O=C(N[C@@H](CO)CNC(=O)C1CC1)c1ccc2oc(=O)nc-2[n-]1 ZINC001444050581 1007998271 /nfs/dbraw/zinc/99/82/71/1007998271.db2.gz UPJSKPXZPBNAFH-MRVPVSSYSA-N -1 0 320.305 -0.455 20 0 DBADRM C[C@](CNC(=O)Cn1c(=O)[n-][nH]c1=O)(NC(=O)C1CC1)C1CC1 ZINC001432850482 1008033344 /nfs/dbraw/zinc/03/33/44/1008033344.db2.gz PKBVZQDBSCPMJV-CQSZACIVSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)[C@H]1C[C@@H]1C ZINC001432991465 1008057660 /nfs/dbraw/zinc/05/76/60/1008057660.db2.gz XLBXHTAJPAELKF-CIUDSAMLSA-N -1 0 311.342 -0.786 20 0 DBADRM CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1cn[nH]n1)C(C)C ZINC001444181514 1008063602 /nfs/dbraw/zinc/06/36/02/1008063602.db2.gz ADCOGEKGVHFEHT-GXSJLCMTSA-N -1 0 313.358 -0.927 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433187176 1008088274 /nfs/dbraw/zinc/08/82/74/1008088274.db2.gz PGXHXSPGQQEWHS-RKDXNWHRSA-N -1 0 323.353 -0.141 20 0 DBADRM COC(=O)[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CC(C)C ZINC001444287012 1008117616 /nfs/dbraw/zinc/11/76/16/1008117616.db2.gz SMKHAIGSCAMRTH-QMMMGPOBSA-N -1 0 300.315 -0.359 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC23CC3)c1[O-] ZINC001444350872 1008140968 /nfs/dbraw/zinc/14/09/68/1008140968.db2.gz WINBDEMVIPKSFT-IUCAKERBSA-N -1 0 308.338 -0.569 20 0 DBADRM CS[C@H](C)C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001433299300 1008143124 /nfs/dbraw/zinc/14/31/24/1008143124.db2.gz DXKGQKRUFLAHBI-SFYZADRCSA-N -1 0 316.383 -0.618 20 0 DBADRM CNC(=O)c1cccc(CCNC(=O)CCc2nnn[n-]2)c1 ZINC001444531737 1008174502 /nfs/dbraw/zinc/17/45/02/1008174502.db2.gz HMTBHRYEPMDRGC-UHFFFAOYSA-N -1 0 302.338 -0.149 20 0 DBADRM CCc1cc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001444967435 1008264427 /nfs/dbraw/zinc/26/44/27/1008264427.db2.gz SOBVBYOZPJRLOT-UHFFFAOYSA-N -1 0 307.358 0.000 20 0 DBADRM CN(C/C=C\Cl)CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001445077299 1008282612 /nfs/dbraw/zinc/28/26/12/1008282612.db2.gz SNASKRYIACLXCO-ARJAWSKDSA-N -1 0 303.750 -0.168 20 0 DBADRM CCC[C@H](NC(=O)C1CCS(=O)(=O)CC1)c1nnn[n-]1 ZINC001445345083 1008362841 /nfs/dbraw/zinc/36/28/41/1008362841.db2.gz ITGSVGDCKIFTOC-VIFPVBQESA-N -1 0 301.372 -0.018 20 0 DBADRM CCn1ncnc1CNC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001445356944 1008364918 /nfs/dbraw/zinc/36/49/18/1008364918.db2.gz WTKHMXJYUFLVDL-MRVPVSSYSA-N -1 0 307.358 -0.057 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)Cc2nc(=O)n(C)[nH]2)c1[O-] ZINC001445694775 1008421369 /nfs/dbraw/zinc/42/13/69/1008421369.db2.gz UOCBDNLFYFIOQV-ZETCQYMHSA-N -1 0 323.357 -0.904 20 0 DBADRM Cc1oncc1CN(C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001445772786 1008433310 /nfs/dbraw/zinc/43/33/10/1008433310.db2.gz SVZABUWJYSIBBS-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM Cc1ccnn1CC(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001445825227 1008437695 /nfs/dbraw/zinc/43/76/95/1008437695.db2.gz ZKQRJBCMJYODPY-VIFPVBQESA-N -1 0 307.358 -0.348 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CC[C@@H](NC(=O)C2CC2)C1 ZINC001445995629 1008459370 /nfs/dbraw/zinc/45/93/70/1008459370.db2.gz MCLFFMKIGPEYDK-WCBMZHEXSA-N -1 0 323.353 -0.500 20 0 DBADRM O=C(CCn1ccnc1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001446077109 1008471488 /nfs/dbraw/zinc/47/14/88/1008471488.db2.gz UHXVLYCFYDVJAI-JTQLQIEISA-N -1 0 305.342 -0.512 20 0 DBADRM CNC(=O)[C@H]1CCCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001446097977 1008473863 /nfs/dbraw/zinc/47/38/63/1008473863.db2.gz JHNKJPGFAUCXFB-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1Cc1ccon1 ZINC001446105204 1008473864 /nfs/dbraw/zinc/47/38/64/1008473864.db2.gz LJGLCHVBUBIISW-SECBINFHSA-N -1 0 308.298 -0.932 20 0 DBADRM Cc1cc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)n(C)n1 ZINC001446151217 1008482298 /nfs/dbraw/zinc/48/22/98/1008482298.db2.gz CMHDJSQVJOOMOF-UHFFFAOYSA-N -1 0 305.342 -0.396 20 0 DBADRM CCc1c(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)cnn1C ZINC001446197706 1008488246 /nfs/dbraw/zinc/48/82/46/1008488246.db2.gz GKQXLXLUXYEHAT-UHFFFAOYSA-N -1 0 319.369 -0.142 20 0 DBADRM COCC(=O)N(C)C1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001446343560 1008502908 /nfs/dbraw/zinc/50/29/08/1008502908.db2.gz RZJMGRKRFDVLPV-UHFFFAOYSA-N -1 0 305.338 -0.688 20 0 DBADRM Cn1cnnc1COCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001446591719 1008595345 /nfs/dbraw/zinc/59/53/45/1008595345.db2.gz NVRGMYIGFPPEQS-SECBINFHSA-N -1 0 306.330 -0.749 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001446603814 1008604222 /nfs/dbraw/zinc/60/42/22/1008604222.db2.gz OPKDWIDPSHNIOM-XLKFXECMSA-N -1 0 300.274 -0.111 20 0 DBADRM COC(=O)NCC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cn[nH]n1 ZINC001457884496 1008687064 /nfs/dbraw/zinc/68/70/64/1008687064.db2.gz PZTHJOPKGSEQSR-RKDXNWHRSA-N -1 0 324.341 -0.825 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001446775079 1008781536 /nfs/dbraw/zinc/78/15/36/1008781536.db2.gz PZNSBPOPLRUKGG-PELKAZGASA-N -1 0 301.322 -0.689 20 0 DBADRM CC(C)[C@@H](F)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001446778105 1008791500 /nfs/dbraw/zinc/79/15/00/1008791500.db2.gz XKEDTLWDCUBHHG-MFKMUULPSA-N -1 0 315.349 -0.443 20 0 DBADRM Cc1cc(=O)[nH]c(N2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)n1 ZINC001458020227 1008807819 /nfs/dbraw/zinc/80/78/19/1008807819.db2.gz CQKGQRIQXJUDHV-UHFFFAOYSA-N -1 0 305.298 -0.723 20 0 DBADRM C[C@H](CC(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001446812740 1008808619 /nfs/dbraw/zinc/80/86/19/1008808619.db2.gz GUWYCSVKGUJKBR-MEBBXXQBSA-N -1 0 323.397 -0.001 20 0 DBADRM CC[C@@H](F)CN1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001446826284 1008813405 /nfs/dbraw/zinc/81/34/05/1008813405.db2.gz CZVHAKPANCJSOX-SECBINFHSA-N -1 0 300.334 -0.052 20 0 DBADRM C[C@H](CNC(=O)[C@H](C)N1CCCCC1=O)NC(=O)c1cn[nH]n1 ZINC001458210469 1008822914 /nfs/dbraw/zinc/82/29/14/1008822914.db2.gz YEQKVAVVQRCZNN-ZJUUUORDSA-N -1 0 322.369 -0.560 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)c1ccoc1 ZINC001458337490 1008831535 /nfs/dbraw/zinc/83/15/35/1008831535.db2.gz UOTLSQCESXSITO-QMMMGPOBSA-N -1 0 320.305 -0.373 20 0 DBADRM CC[C@@H](F)C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001459049668 1008930052 /nfs/dbraw/zinc/93/00/52/1008930052.db2.gz CACZSLABBKBING-ZCFIWIBFSA-N -1 0 313.289 -0.591 20 0 DBADRM CN(CCCN(C)C(=O)c1nccnc1N)Cc1n[nH]c(=O)[n-]1 ZINC001447323477 1009029875 /nfs/dbraw/zinc/02/98/75/1009029875.db2.gz BIGBQEQJKUJJRZ-UHFFFAOYSA-N -1 0 320.357 -0.523 20 0 DBADRM CCC(=O)NC[C@]1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001459526079 1009037710 /nfs/dbraw/zinc/03/77/10/1009037710.db2.gz KCXJIHGXSXENGB-ZDUSSCGKSA-N -1 0 311.342 -0.546 20 0 DBADRM COCC(=O)N[C@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001447350948 1009045648 /nfs/dbraw/zinc/04/56/48/1009045648.db2.gz KLIKKCGMIIUSHT-QMMMGPOBSA-N -1 0 320.305 -0.095 20 0 DBADRM CC(C)C[C@@H](C(N)=O)N(C)Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001460687037 1009098672 /nfs/dbraw/zinc/09/86/72/1009098672.db2.gz SNQUXPFRKQEDMF-VIFPVBQESA-N -1 0 307.358 -0.668 20 0 DBADRM O=c1cc(CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)nc2cc[n-]n21 ZINC001460743582 1009108695 /nfs/dbraw/zinc/10/86/95/1009108695.db2.gz LIQPIAPXTSBKQE-WDEREUQCSA-N -1 0 322.390 -0.111 20 0 DBADRM CN(C(=O)c1ccc(C(=O)N2CCOCC2)cc1)c1nnn[n-]1 ZINC001461557667 1009140221 /nfs/dbraw/zinc/14/02/21/1009140221.db2.gz CSAILGYLINLJAK-UHFFFAOYSA-N -1 0 316.321 -0.051 20 0 DBADRM CN(C(=O)Cn1cc(Br)ccc1=O)c1nnn[n-]1 ZINC001461558936 1009141316 /nfs/dbraw/zinc/14/13/16/1009141316.db2.gz MYOFXBWBABCCMA-UHFFFAOYSA-N -1 0 313.115 -0.213 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1nnc(C)n1C ZINC001462990903 1009187234 /nfs/dbraw/zinc/18/72/34/1009187234.db2.gz LVNGTQIEJBRSIP-UHFFFAOYSA-N -1 0 309.417 -0.034 20 0 DBADRM CO[N-]C(=O)CNC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC001463160262 1009197347 /nfs/dbraw/zinc/19/73/47/1009197347.db2.gz COBAQHRRUJEWRU-UHFFFAOYSA-N -1 0 312.326 -0.965 20 0 DBADRM C[C@@H](Oc1ccccn1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001447642678 1009209411 /nfs/dbraw/zinc/20/94/11/1009209411.db2.gz BIWMYZTUBGGBPE-SECBINFHSA-N -1 0 315.351 -0.569 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)Cc1cc(OC)ns1)C(=O)OC ZINC001463392184 1009212818 /nfs/dbraw/zinc/21/28/18/1009212818.db2.gz JNMRGIJIIQMQPI-QMMMGPOBSA-N -1 0 324.380 -0.241 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C1CN(C(=O)OC)C1 ZINC001463554379 1009226302 /nfs/dbraw/zinc/22/63/02/1009226302.db2.gz POPIXUZOMUAFNP-UHFFFAOYSA-N -1 0 313.401 -0.221 20 0 DBADRM COc1cc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2=O)sn1 ZINC001463694171 1009233921 /nfs/dbraw/zinc/23/39/21/1009233921.db2.gz QNAGSHWNWNPJJO-YFKPBYRVSA-N -1 0 305.337 -0.813 20 0 DBADRM COCCO[C@@H]1COCC[C@@H]1NS(=O)(=O)c1ncc[n-]1 ZINC001463539393 1009228606 /nfs/dbraw/zinc/22/86/06/1009228606.db2.gz WITYNIUKRACQJL-VHSXEESVSA-N -1 0 305.356 -0.492 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCC2(O)CCOCC2)n[nH]1 ZINC001463550850 1009228848 /nfs/dbraw/zinc/22/88/48/1009228848.db2.gz JYRXIIUYKRGXPU-UHFFFAOYSA-N -1 0 319.339 -0.984 20 0 DBADRM CC[C@@](COC)([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)C(=O)OC ZINC001463837484 1009250039 /nfs/dbraw/zinc/25/00/39/1009250039.db2.gz QQWCKMQAZZVNPF-SKDRFNHKSA-N -1 0 324.399 -0.649 20 0 DBADRM CCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001463969526 1009271970 /nfs/dbraw/zinc/27/19/70/1009271970.db2.gz YZISWIXPUHWZIR-SSDOTTSWSA-N -1 0 316.339 -0.678 20 0 DBADRM CN(C)c1noc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001598364391 1017257156 /nfs/dbraw/zinc/25/71/56/1017257156.db2.gz GXISCIUTZLMOAV-RGOKHQFPSA-N -1 0 323.353 -0.407 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001598365635 1017257381 /nfs/dbraw/zinc/25/73/81/1017257381.db2.gz WQUWDBISFOFPAX-QMMMGPOBSA-N -1 0 307.310 -0.586 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)NCCSCC(=O)[O-])n1 ZINC001598352400 1017257976 /nfs/dbraw/zinc/25/79/76/1017257976.db2.gz KAKSQCFELXNVQR-UHFFFAOYSA-N -1 0 300.344 -0.933 20 0 DBADRM CN(C)c1cnc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cn1 ZINC001598347950 1017258050 /nfs/dbraw/zinc/25/80/50/1017258050.db2.gz AFFQENUTCFMMTN-VIFPVBQESA-N -1 0 304.310 -0.309 20 0 DBADRM CN(C)c1noc(CNC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001598364283 1017258545 /nfs/dbraw/zinc/25/85/45/1017258545.db2.gz FXXNCDRDCUECJH-BDAKNGLRSA-N -1 0 323.353 -0.405 20 0 DBADRM CN(Cc1ccccc1)C(=O)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001464330573 1009308471 /nfs/dbraw/zinc/30/84/71/1009308471.db2.gz KEVKAOBDZFEPQO-UHFFFAOYSA-N -1 0 319.321 -0.536 20 0 DBADRM CN(C1CC1)S(=O)(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598371051 1017260543 /nfs/dbraw/zinc/26/05/43/1017260543.db2.gz QRLAIZLEWFYYTR-VIFPVBQESA-N -1 0 315.355 -0.438 20 0 DBADRM CN([C@@H]1CCN2CCO[C@H]1C2)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001598375517 1017260838 /nfs/dbraw/zinc/26/08/38/1017260838.db2.gz ZVWMIPBRGUKGPZ-MNOVXSKESA-N -1 0 320.411 -0.168 20 0 DBADRM CN(CC(=O)N[C@H](CC1CCOCC1)C(=O)[O-])S(C)(=O)=O ZINC001598387091 1017261076 /nfs/dbraw/zinc/26/10/76/1017261076.db2.gz MZXPPJWRMAFNBI-SNVBAGLBSA-N -1 0 322.383 -0.736 20 0 DBADRM CN(C1CC1)S(=O)(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598371101 1017261439 /nfs/dbraw/zinc/26/14/39/1017261439.db2.gz SOBKDDFVXVPISM-LLVKDONJSA-N -1 0 303.340 -0.369 20 0 DBADRM CN(CC(=O)N[C@H](CCF)C(=O)[O-])c1ncnc2nc[nH]c21 ZINC001598387098 1017261767 /nfs/dbraw/zinc/26/17/67/1017261767.db2.gz NCLAWKGZNBRREM-SSDOTTSWSA-N -1 0 310.289 -0.282 20 0 DBADRM CSCc1nc(C[N-]S(=O)(=O)N=S(C)(C)=O)n[nH]1 ZINC001464557316 1009323259 /nfs/dbraw/zinc/32/32/59/1009323259.db2.gz USQIQHWUQCHUIA-UHFFFAOYSA-N -1 0 313.430 -0.270 20 0 DBADRM CN(C)C(=O)CN(C)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001598399451 1017264064 /nfs/dbraw/zinc/26/40/64/1017264064.db2.gz HVYFSIBUWSNAJJ-UHFFFAOYSA-N -1 0 314.367 -0.271 20 0 DBADRM CN(CC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)S(C)(=O)=O ZINC001598396881 1017264897 /nfs/dbraw/zinc/26/48/97/1017264897.db2.gz VMWREYBLJFLSEQ-KYXWUPHJSA-N -1 0 304.368 -0.507 20 0 DBADRM CN(CC(=O)Nc1nc(CC(=O)[O-])cs1)[C@H]1CCNC1=O ZINC001598399711 1017265381 /nfs/dbraw/zinc/26/53/81/1017265381.db2.gz NFUUXVJMIKUBGD-QMMMGPOBSA-N -1 0 312.351 -0.471 20 0 DBADRM CCCNS(=O)(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001464745197 1009338306 /nfs/dbraw/zinc/33/83/06/1009338306.db2.gz YGZHCYGHVDVSHB-VIFPVBQESA-N -1 0 301.372 -0.405 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001598432843 1017265863 /nfs/dbraw/zinc/26/58/63/1017265863.db2.gz NXNXPSYQERCEIX-ADEWGFFLSA-N -1 0 312.366 -0.025 20 0 DBADRM CC[C@](C)(NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)OC ZINC001464740057 1009339745 /nfs/dbraw/zinc/33/97/45/1009339745.db2.gz RIARCHQSFUJSCF-LBPRGKRZSA-N -1 0 300.315 -0.073 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)NC[C@H](O)COC ZINC001464782460 1009340399 /nfs/dbraw/zinc/34/03/99/1009340399.db2.gz PUZAUOFXIVBBQT-QMMMGPOBSA-N -1 0 321.355 -0.820 20 0 DBADRM CN(CC(N)=O)Cc1ccccc1CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598430635 1017266956 /nfs/dbraw/zinc/26/69/56/1017266956.db2.gz VXURFVGSSPDMSV-STQMWFEESA-N -1 0 319.361 -0.059 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC[S@](=O)Cc1ccccc1 ZINC001464853150 1009344239 /nfs/dbraw/zinc/34/42/39/1009344239.db2.gz JLRJMEBOISSHQV-QFIPXVFZSA-N -1 0 324.362 -0.246 20 0 DBADRM CN(CC(F)F)C(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598430055 1017267257 /nfs/dbraw/zinc/26/72/57/1017267257.db2.gz BHTSABFGKJMSDO-GFCCVEGCSA-N -1 0 319.264 -0.458 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001598432103 1017267291 /nfs/dbraw/zinc/26/72/91/1017267291.db2.gz AVJYSUKRRSUYDU-NHYWBVRUSA-N -1 0 312.366 -0.071 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)[N-]S(=O)(=O)Cc1ccno1 ZINC001464876228 1009347107 /nfs/dbraw/zinc/34/71/07/1009347107.db2.gz QBYFUBNFRZUIHE-SECBINFHSA-N -1 0 320.323 -0.601 20 0 DBADRM C[C@H](NCc1nncn1C)[C@H](C)NC(=O)c1cnc[nH]c1=O ZINC001447850806 1009348469 /nfs/dbraw/zinc/34/84/69/1009348469.db2.gz DDPLXZUQILBMJC-IUCAKERBSA-N -1 0 305.342 -0.393 20 0 DBADRM CN(CC(=O)O[C@@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)S(C)(=O)=O ZINC001598418152 1017268009 /nfs/dbraw/zinc/26/80/09/1017268009.db2.gz QNDIKSVELCQBNO-ZYUZMQFOSA-N -1 0 305.352 -0.080 20 0 DBADRM CN(CC(C)(CO)CO)C(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001598426453 1017268104 /nfs/dbraw/zinc/26/81/04/1017268104.db2.gz SOBQDHSXYDBALE-UHFFFAOYSA-N -1 0 313.354 -0.189 20 0 DBADRM COCCCN(CCO)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001447865911 1009357691 /nfs/dbraw/zinc/35/76/91/1009357691.db2.gz LOABAWKOZSOUDM-UHFFFAOYSA-N -1 0 320.353 -0.454 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)CCc2nnn[n-]2)C1 ZINC001465267707 1009364190 /nfs/dbraw/zinc/36/41/90/1009364190.db2.gz NDOKLAVRGHVHAJ-RKDXNWHRSA-N -1 0 301.372 -0.396 20 0 DBADRM CCC[C@H](NC(=O)C[C@]1(C)CCS(=O)(=O)N1)c1nnn[n-]1 ZINC001465684959 1009381156 /nfs/dbraw/zinc/38/11/56/1009381156.db2.gz FPQDAGZUZNSEDV-KWQFWETISA-N -1 0 316.387 -0.371 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N(CCO)CCc1ccccc1 ZINC001466159522 1009407644 /nfs/dbraw/zinc/40/76/44/1009407644.db2.gz CSQQHVJAVJRCMO-UHFFFAOYSA-N -1 0 304.306 -0.040 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001466308984 1009414617 /nfs/dbraw/zinc/41/46/17/1009414617.db2.gz QROLDBQDWGXXPB-MRVPVSSYSA-N -1 0 324.259 -0.149 20 0 DBADRM CN1C[C@@H](NC(=O)c2nn(-c3ccccc3F)cc2[O-])C(=O)N1 ZINC001466411254 1009423082 /nfs/dbraw/zinc/42/30/82/1009423082.db2.gz VTYKTZBDSCTVPH-SECBINFHSA-N -1 0 319.296 -0.208 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCCC[C@H]1COC(=O)NC ZINC001466547386 1009428541 /nfs/dbraw/zinc/42/85/41/1009428541.db2.gz OTSUOOSTNARPPY-VIFPVBQESA-N -1 0 311.346 -0.143 20 0 DBADRM CCN(C(=O)N=c1nn[n-]n1CC)[C@@H](C)CS(C)(=O)=O ZINC001466547647 1009432384 /nfs/dbraw/zinc/43/23/84/1009432384.db2.gz ZMNXAJUSDCXZSX-QMMMGPOBSA-N -1 0 304.376 -0.598 20 0 DBADRM COC(=O)[C@@H](NC(=O)CCc1nnn[n-]1)c1ccc(O)cc1 ZINC001466715101 1009441294 /nfs/dbraw/zinc/44/12/94/1009441294.db2.gz RIQGOUDBDWYHLL-LBPRGKRZSA-N -1 0 305.294 -0.132 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cnn1 ZINC001447999397 1009443227 /nfs/dbraw/zinc/44/32/27/1009443227.db2.gz CEGAXQKEQNXFIH-SECBINFHSA-N -1 0 305.342 -0.141 20 0 DBADRM COC[C@H](CNC(=O)c1cccc(-n2[n-]nnc2=N)c1)OC ZINC001466796023 1009447346 /nfs/dbraw/zinc/44/73/46/1009447346.db2.gz HMRCZZPNAPQTCI-NSHDSACASA-N -1 0 306.326 -0.534 20 0 DBADRM Cn1nccc1COCC(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001448013175 1009450618 /nfs/dbraw/zinc/45/06/18/1009450618.db2.gz CIJBKODFZMCYFT-SNVBAGLBSA-N -1 0 323.382 -0.234 20 0 DBADRM CCOC(=O)[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C(C)C ZINC001466837270 1009451167 /nfs/dbraw/zinc/45/11/67/1009451167.db2.gz FDWORELTIQTOBC-SNVBAGLBSA-N -1 0 322.383 -0.596 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001466837067 1009451646 /nfs/dbraw/zinc/45/16/46/1009451646.db2.gz BLQUSPKBOVZNOA-WDEREUQCSA-N -1 0 318.395 -0.369 20 0 DBADRM Cn1cnc(NC(=O)N2CCC(c3nnn[n-]3)CC2)cc1=O ZINC001466920359 1009459832 /nfs/dbraw/zinc/45/98/32/1009459832.db2.gz GXYSQTAHDIHJLH-UHFFFAOYSA-N -1 0 304.314 -0.295 20 0 DBADRM COCn1ccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)n1 ZINC001467285291 1009479694 /nfs/dbraw/zinc/47/96/94/1009479694.db2.gz QYAMTQMIPSWEPO-VIFPVBQESA-N -1 0 309.355 -0.070 20 0 DBADRM CN(CC1(CO)CC1)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001467264948 1009481370 /nfs/dbraw/zinc/48/13/70/1009481370.db2.gz KIIJPGFWFQMDLF-UHFFFAOYSA-N -1 0 302.338 -0.081 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)CCCc2nnn[n-]2)C1 ZINC001467409550 1009492813 /nfs/dbraw/zinc/49/28/13/1009492813.db2.gz YSRNETYTUDGQFW-SECBINFHSA-N -1 0 316.387 -0.951 20 0 DBADRM Cn1cnc(C=CC(=O)N2CCC(O)(c3nnn[n-]3)CC2)c1 ZINC001467455155 1009496235 /nfs/dbraw/zinc/49/62/35/1009496235.db2.gz ANWLYASYZZJQDP-NSCUHMNNSA-N -1 0 303.326 -0.543 20 0 DBADRM O=C(Cn1cc(C2CC2)cn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001467456389 1009497189 /nfs/dbraw/zinc/49/71/89/1009497189.db2.gz RUZGQPZDUFTAPF-UHFFFAOYSA-N -1 0 317.353 -0.216 20 0 DBADRM O=C(c1cnn(CCO)c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001467508997 1009503833 /nfs/dbraw/zinc/50/38/33/1009503833.db2.gz QTINAQLGUVQFHQ-SECBINFHSA-N -1 0 306.326 -0.281 20 0 DBADRM C[C@@H](CNC(=O)CCc1nccn1C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448067885 1009505463 /nfs/dbraw/zinc/50/54/63/1009505463.db2.gz LHOOZDHCNHOTDG-JTQLQIEISA-N -1 0 321.385 -0.187 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC(N2CN=NC2=O)CC1 ZINC001467679191 1009512000 /nfs/dbraw/zinc/51/20/00/1009512000.db2.gz ZYSCAEPNNKPBJO-UHFFFAOYSA-N -1 0 306.330 -0.317 20 0 DBADRM Cc1ccc(CNC(=O)c2c[n-]n3c2nccc3=O)c(=O)n1C ZINC001467761671 1009520116 /nfs/dbraw/zinc/52/01/16/1009520116.db2.gz IOGQHPYNAXMRRZ-UHFFFAOYSA-N -1 0 313.317 -0.040 20 0 DBADRM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001467776077 1009520146 /nfs/dbraw/zinc/52/01/46/1009520146.db2.gz UWMSCSXNURXXBS-MRVPVSSYSA-N -1 0 322.325 -0.045 20 0 DBADRM C[C@@H](CNC(=O)c1cnco1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001448096930 1009524919 /nfs/dbraw/zinc/52/49/19/1009524919.db2.gz ZEYGZWHYAYVNOJ-ZETCQYMHSA-N -1 0 321.293 -0.978 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC001468074219 1009539715 /nfs/dbraw/zinc/53/97/15/1009539715.db2.gz XOLBVUMWGZMPFM-RNFRBKRXSA-N -1 0 314.323 -0.926 20 0 DBADRM CC(C)OC(=O)[C@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001468138996 1009543562 /nfs/dbraw/zinc/54/35/62/1009543562.db2.gz WFBSOJUDGHPZPA-QMMMGPOBSA-N -1 0 300.315 -0.074 20 0 DBADRM Cc1nc(CN(C)[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001448126260 1009547345 /nfs/dbraw/zinc/54/73/45/1009547345.db2.gz XJCHASZSYGSHAC-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM CS(=O)(=O)CCCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001448132001 1009554283 /nfs/dbraw/zinc/55/42/83/1009554283.db2.gz PEONTBATIRFTAF-SECBINFHSA-N -1 0 301.372 -0.270 20 0 DBADRM C[C@@H](CNC(=O)C1(C)CCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001448136284 1009556706 /nfs/dbraw/zinc/55/67/06/1009556706.db2.gz ZPGMHHRYHNQIDT-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM CN(C[C@H]1CCC[C@@H]1O)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001598454954 1017269559 /nfs/dbraw/zinc/26/95/59/1017269559.db2.gz KINQSNYNVPFUFG-KOLCDFICSA-N -1 0 311.342 -0.221 20 0 DBADRM CN(C[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)C=C1CCC1 ZINC001598437316 1017270024 /nfs/dbraw/zinc/27/00/24/1017270024.db2.gz WABHKRVDYQUIPB-NSHDSACASA-N -1 0 320.349 -0.062 20 0 DBADRM CN(C[C@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)C1CC=CC1 ZINC001598436282 1017270088 /nfs/dbraw/zinc/27/00/88/1017270088.db2.gz LMAIXRYQTIMASW-LLVKDONJSA-N -1 0 320.349 -0.206 20 0 DBADRM CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001598454957 1017270099 /nfs/dbraw/zinc/27/00/99/1017270099.db2.gz KINQSNYNVPFUFG-ONGXEEELSA-N -1 0 311.342 -0.221 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)c1cccc(C(=O)[O-])n1 ZINC001598437348 1017270174 /nfs/dbraw/zinc/27/01/74/1017270174.db2.gz WZQZGSRHFPZVHS-NSHDSACASA-N -1 0 323.349 -0.455 20 0 DBADRM CN(C[C@@H]1CCC[C@@H]1O)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598454225 1017270402 /nfs/dbraw/zinc/27/04/02/1017270402.db2.gz CDGXIZBOESZJAF-TUAOUCFPSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)c1ncc(C(=O)[O-])s1 ZINC001598436394 1017270418 /nfs/dbraw/zinc/27/04/18/1017270418.db2.gz MMULAXZHUKFZEM-VIFPVBQESA-N -1 0 301.368 -0.029 20 0 DBADRM CN(CC1(C)COC1)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001598442478 1017270591 /nfs/dbraw/zinc/27/05/91/1017270591.db2.gz RMJKNEOKVDYHDR-UHFFFAOYSA-N -1 0 310.310 -0.448 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cc(-n2ccnn2)ccc1F ZINC001468542250 1009570725 /nfs/dbraw/zinc/57/07/25/1009570725.db2.gz WKAIEESFXJGJEZ-UHFFFAOYSA-N -1 0 305.229 -0.207 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598467041 1017271783 /nfs/dbraw/zinc/27/17/83/1017271783.db2.gz GXQVBJVOVSSOJX-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCO[C@@H]1CCCCO1 ZINC001598471117 1017271920 /nfs/dbraw/zinc/27/19/20/1017271920.db2.gz MDGGKGQLJSPENL-LLVKDONJSA-N -1 0 310.372 -0.230 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC001598470941 1017272093 /nfs/dbraw/zinc/27/20/93/1017272093.db2.gz ROCLDCUKRNLPGL-SECBINFHSA-N -1 0 321.355 -0.836 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001598468092 1017272293 /nfs/dbraw/zinc/27/22/93/1017272293.db2.gz SHTLEHHQZDWJDJ-JTQLQIEISA-N -1 0 317.342 -0.976 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598467040 1017272668 /nfs/dbraw/zinc/27/26/68/1017272668.db2.gz GXQVBJVOVSSOJX-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC001598470531 1017273153 /nfs/dbraw/zinc/27/31/53/1017273153.db2.gz NKSMFQCPMDBWDW-GHMZBOCLSA-N -1 0 322.383 -0.483 20 0 DBADRM CN(CCCNC(=O)CCn1cncn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598478959 1017274239 /nfs/dbraw/zinc/27/42/39/1017274239.db2.gz FARJNMNJVJRRRK-QWRGUYRKSA-N -1 0 323.353 -0.646 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1cnc[nH]c1=O ZINC001598478563 1017274473 /nfs/dbraw/zinc/27/44/73/1017274473.db2.gz BDNYAGDQFOWHEI-RKDXNWHRSA-N -1 0 322.321 -0.519 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)NCC1(C(=O)[O-])CC1 ZINC001598488173 1017282519 /nfs/dbraw/zinc/28/25/19/1017282519.db2.gz KFRFXJRVKOIVEN-UHFFFAOYSA-N -1 0 319.383 -0.472 20 0 DBADRM CN(CCCNC(=O)[C@H]1COC(=O)N1)c1ccnc(C(=O)[O-])n1 ZINC001598478596 1017275117 /nfs/dbraw/zinc/27/51/17/1017275117.db2.gz CEUSLFIKFCNOEZ-MRVPVSSYSA-N -1 0 323.309 -0.774 20 0 DBADRM CN(CCCNC(=O)Cc1cnn(C)c1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598480842 1017276574 /nfs/dbraw/zinc/27/65/74/1017276574.db2.gz ZBXGHAHWIOPTFN-NWDGAFQWSA-N -1 0 322.365 -0.352 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1nccnc1N ZINC001598480688 1017276760 /nfs/dbraw/zinc/27/67/60/1017276760.db2.gz YUPJLHXSDCGATL-IUCAKERBSA-N -1 0 321.337 -0.642 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1cnn(C)c1N ZINC001598480440 1017277230 /nfs/dbraw/zinc/27/72/30/1017277230.db2.gz VDVVNNUIYZPFBL-DTWKUNHWSA-N -1 0 323.353 -0.699 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1nccnc1N ZINC001598480690 1017277376 /nfs/dbraw/zinc/27/73/76/1017277376.db2.gz YUPJLHXSDCGATL-RKDXNWHRSA-N -1 0 321.337 -0.642 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N(CCO)Cc1cccnc1 ZINC001598480961 1017277747 /nfs/dbraw/zinc/27/77/47/1017277747.db2.gz ODHHTYLZJRNHDY-UHFFFAOYSA-N -1 0 317.367 -0.473 20 0 DBADRM CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)c1ccn(C)n1 ZINC001598483642 1017278651 /nfs/dbraw/zinc/27/86/51/1017278651.db2.gz XQECKOHIPDOVRT-UHFFFAOYSA-N -1 0 318.337 -0.096 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)C1=CCOCC1 ZINC001598486805 1017279516 /nfs/dbraw/zinc/27/95/16/1017279516.db2.gz WBZYJNIGSDGMHD-VXGBXAGGSA-N -1 0 310.350 -0.029 20 0 DBADRM CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)c1ccnn1C ZINC001598483580 1017279600 /nfs/dbraw/zinc/27/96/00/1017279600.db2.gz VBBLOVJEECWREL-UHFFFAOYSA-N -1 0 318.337 -0.096 20 0 DBADRM CN(CCN1CCCS1(=O)=O)c1ccnc(C(=O)[O-])n1 ZINC001598488165 1017282775 /nfs/dbraw/zinc/28/27/75/1017282775.db2.gz JIBZPAVXUFDAQP-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)CCc1c[nH]cn1 ZINC001598486549 1017279855 /nfs/dbraw/zinc/27/98/55/1017279855.db2.gz PYJTXQFMJGNSEZ-VXGBXAGGSA-N -1 0 322.365 -0.020 20 0 DBADRM CN(CCN(C)c1ccnc(C(=O)[O-])n1)C(=O)CCNC(N)=O ZINC001598485128 1017279911 /nfs/dbraw/zinc/27/99/11/1017279911.db2.gz NTNJXOYMEOSLBO-UHFFFAOYSA-N -1 0 324.341 -0.872 20 0 DBADRM CN(CCF)C(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001598486743 1017280568 /nfs/dbraw/zinc/28/05/68/1017280568.db2.gz UDQQPXZRNYTTTP-TVQRCGJNSA-N -1 0 302.302 -0.636 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)Cc1cccnc1 ZINC001598489768 1017281062 /nfs/dbraw/zinc/28/10/62/1017281062.db2.gz XHFQRVILROPSCU-VXGBXAGGSA-N -1 0 305.334 -0.081 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])CC(=O)NCC(C)(C)C ZINC001598489246 1017281186 /nfs/dbraw/zinc/28/11/86/1017281186.db2.gz MBGFDRCWLMZVSI-WDEREUQCSA-N -1 0 313.398 -0.083 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)COc1cccnc1 ZINC001598489792 1017281681 /nfs/dbraw/zinc/28/16/81/1017281681.db2.gz XRKWOKFDHVKQIF-RYUDHWBXSA-N -1 0 321.333 -0.244 20 0 DBADRM CN(CCN1CCCS1(=O)=O)c1cc(C(=O)[O-])ncn1 ZINC001598488194 1017281761 /nfs/dbraw/zinc/28/17/61/1017281761.db2.gz LMKBCAXTCJZROW-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)CCc1cncn1C ZINC001598489506 1017282312 /nfs/dbraw/zinc/28/23/12/1017282312.db2.gz QWZDWPNHGPGGBA-NEPJUHHUSA-N -1 0 322.365 -0.352 20 0 DBADRM O=C(N[C@@H]1CCNC(=O)CC1)c1ccc(-c2nn[nH]n2)cn1 ZINC001469182332 1009632275 /nfs/dbraw/zinc/63/22/75/1009632275.db2.gz MEGULTYGOCPOOZ-VIFPVBQESA-N -1 0 301.310 -0.340 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1c[n-]ncc1=O ZINC001469186515 1009640877 /nfs/dbraw/zinc/64/08/77/1009640877.db2.gz MZUKFQKPCQZIJT-VIFPVBQESA-N -1 0 308.294 -0.924 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN(C(=O)C2CC2)C1 ZINC001448235623 1009644197 /nfs/dbraw/zinc/64/41/97/1009644197.db2.gz WYQZCHFZUZZJFJ-MRVPVSSYSA-N -1 0 309.326 -0.936 20 0 DBADRM COC(=O)COCC(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001469342036 1009651887 /nfs/dbraw/zinc/65/18/87/1009651887.db2.gz KCIRGVSCXSWJHD-SECBINFHSA-N -1 0 301.299 -0.244 20 0 DBADRM COC(=O)C[C@H](NC(=O)CCc1nnn[n-]1)c1ccncc1 ZINC001469573551 1009675274 /nfs/dbraw/zinc/67/52/74/1009675274.db2.gz JONJZDAEYJQCHX-JTQLQIEISA-N -1 0 304.310 -0.052 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C ZINC001469795600 1009690210 /nfs/dbraw/zinc/69/02/10/1009690210.db2.gz FVVDOYHGTYDJDA-UHFFFAOYSA-N -1 0 320.309 -0.526 20 0 DBADRM CC1(C(=O)N2CC[C@@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001448322508 1009711777 /nfs/dbraw/zinc/71/17/77/1009711777.db2.gz ZPOMLAMFQXTRDB-VIFPVBQESA-N -1 0 323.353 -0.546 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2cccc(-n3cncn3)n2)C(=O)N1C ZINC001470310865 1009731660 /nfs/dbraw/zinc/73/16/60/1009731660.db2.gz ZNAQALOTVUQWSK-MRVPVSSYSA-N -1 0 315.293 -0.410 20 0 DBADRM Cc1cc(C)n2nc(C(=O)[N-]N3C(=O)[C@H](C)N(C)C3=O)nc2n1 ZINC001470308870 1009732144 /nfs/dbraw/zinc/73/21/44/1009732144.db2.gz OKSRLLOUNDRKCN-QMMMGPOBSA-N -1 0 317.309 -0.332 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2cccc(-n3cncn3)n2)C(=O)N1C ZINC001470310866 1009732614 /nfs/dbraw/zinc/73/26/14/1009732614.db2.gz ZNAQALOTVUQWSK-QMMMGPOBSA-N -1 0 315.293 -0.410 20 0 DBADRM CSCC[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1nnn[n-]1 ZINC001470328821 1009735304 /nfs/dbraw/zinc/73/53/04/1009735304.db2.gz HTLJDTYISMAEFA-RQJHMYQMSA-N -1 0 307.401 -0.457 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001448385822 1009740170 /nfs/dbraw/zinc/74/01/70/1009740170.db2.gz OGCHJRPUOCZVSY-PSASIEDQSA-N -1 0 324.385 -0.639 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001448393385 1009746191 /nfs/dbraw/zinc/74/61/91/1009746191.db2.gz IUBYJPZTFDNZOO-MWLCHTKSSA-N -1 0 311.386 -0.146 20 0 DBADRM CCC(=O)NCC[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001448403029 1009749917 /nfs/dbraw/zinc/74/99/17/1009749917.db2.gz JSWFDAZTYWKLBF-SECBINFHSA-N -1 0 320.353 -0.508 20 0 DBADRM CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001470570440 1009760854 /nfs/dbraw/zinc/76/08/54/1009760854.db2.gz CRZAVZIMBPAZPF-SSDOTTSWSA-N -1 0 300.319 -0.562 20 0 DBADRM CN(C(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1)c1nnn[n-]1 ZINC001470571139 1009763054 /nfs/dbraw/zinc/76/30/54/1009763054.db2.gz IBTBTRXCAGUCLB-DTWKUNHWSA-N -1 0 320.334 -0.133 20 0 DBADRM CNC(=O)c1cccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)n1 ZINC001470583075 1009767002 /nfs/dbraw/zinc/76/70/02/1009767002.db2.gz NNUNCIRQNCXBBC-UHFFFAOYSA-N -1 0 303.278 -0.428 20 0 DBADRM NS(=O)(=O)NC1CN(C(=O)c2s[n-]c(=O)c2Cl)C1 ZINC001470760623 1009784113 /nfs/dbraw/zinc/78/41/13/1009784113.db2.gz IRXYRTXKMWKIPT-UHFFFAOYSA-N -1 0 312.760 -0.880 20 0 DBADRM O=C(CN1CCCS1(=O)=O)Nc1ccccc1-c1nn[nH]n1 ZINC001470787546 1009786358 /nfs/dbraw/zinc/78/63/58/1009786358.db2.gz NFFXEJVHMGNDGN-UHFFFAOYSA-N -1 0 322.350 -0.159 20 0 DBADRM COCC(=O)NCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC001470786749 1009788639 /nfs/dbraw/zinc/78/86/39/1009788639.db2.gz GVOVZUXJFOZLSZ-UHFFFAOYSA-N -1 0 304.310 -0.042 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)c1[O-] ZINC001471389482 1009821082 /nfs/dbraw/zinc/82/10/82/1009821082.db2.gz KAURFVZVASFLDU-VIFPVBQESA-N -1 0 308.338 -0.473 20 0 DBADRM C[C@H](O)C1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC001471390029 1009821433 /nfs/dbraw/zinc/82/14/33/1009821433.db2.gz LVNAADRZUHSKHN-ZETCQYMHSA-N -1 0 300.336 -0.508 20 0 DBADRM CO[N-]C(=O)CNC(=O)N(C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001471482747 1009826105 /nfs/dbraw/zinc/82/61/05/1009826105.db2.gz RFAQGIXTSLJYIF-UHFFFAOYSA-N -1 0 316.358 -0.075 20 0 DBADRM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NCC(=O)[N-]OC)CC2 ZINC001471479849 1009826264 /nfs/dbraw/zinc/82/62/64/1009826264.db2.gz DRSHHSYVAMAUTG-GHMZBOCLSA-N -1 0 315.370 -0.375 20 0 DBADRM NC(=O)c1ccc(CCC(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC001448632530 1009831945 /nfs/dbraw/zinc/83/19/45/1009831945.db2.gz VGDHQXVQBKZAPD-UHFFFAOYSA-N -1 0 304.306 -0.247 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001448630594 1009832306 /nfs/dbraw/zinc/83/23/06/1009832306.db2.gz OVVOZAHOIRZGEV-MRVPVSSYSA-N -1 0 318.355 -0.885 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1Cc2cccnc2NC1=O ZINC001471655608 1009836227 /nfs/dbraw/zinc/83/62/27/1009836227.db2.gz ICWPJOGRWSFVDO-SSDOTTSWSA-N -1 0 320.334 -0.323 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)NC2(c3nnn[n-]3)CCC2)nn1 ZINC001471660216 1009836542 /nfs/dbraw/zinc/83/65/42/1009836542.db2.gz OXLXJFNKCTZTHP-QMMMGPOBSA-N -1 0 306.330 -0.629 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)NC1(c2nnn[n-]2)CCC1 ZINC001471659479 1009836824 /nfs/dbraw/zinc/83/68/24/1009836824.db2.gz GIXGJUUVYVNMDE-UHFFFAOYSA-N -1 0 302.342 -0.056 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)NC1(c2nnn[n-]2)CCC1 ZINC001471659676 1009837362 /nfs/dbraw/zinc/83/73/62/1009837362.db2.gz OMGFXGIFCBGYJT-UHFFFAOYSA-N -1 0 309.374 -0.849 20 0 DBADRM CCOC(=O)c1n[nH]nc1[C@@H]1CCCN1C(=O)CCC(N)=O ZINC001471798712 1009844118 /nfs/dbraw/zinc/84/41/18/1009844118.db2.gz TVMOGUIOVQSQFZ-QMMMGPOBSA-N -1 0 309.326 -0.090 20 0 DBADRM CCOC(=O)c1n[nH]nc1[C@H]1CCCN1C(=O)CCC(N)=O ZINC001471798709 1009845037 /nfs/dbraw/zinc/84/50/37/1009845037.db2.gz TVMOGUIOVQSQFZ-MRVPVSSYSA-N -1 0 309.326 -0.090 20 0 DBADRM COC[C@@H](NC(=O)COCc1ccnc(OC)c1)c1nnn[n-]1 ZINC001471845678 1009848130 /nfs/dbraw/zinc/84/81/30/1009848130.db2.gz OSDNVCGSAFRDTF-SNVBAGLBSA-N -1 0 322.325 -0.376 20 0 DBADRM COC[C@H](NC(=O)CCc1nc2cccnc2[nH]1)c1nnn[n-]1 ZINC001471846609 1009849186 /nfs/dbraw/zinc/84/91/86/1009849186.db2.gz WGCLAXYGGUXXBA-VIFPVBQESA-N -1 0 316.325 -0.093 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CCN(CC(F)(F)F)C1)c1nnn[n-]1 ZINC001471845198 1009849421 /nfs/dbraw/zinc/84/94/21/1009849421.db2.gz HBEWZLPMGVAOQJ-JGVFFNPUSA-N -1 0 322.291 -0.112 20 0 DBADRM NC(=O)c1ncccc1C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001471853490 1009850799 /nfs/dbraw/zinc/85/07/99/1009850799.db2.gz KRBGMZNLABNTNB-VIFPVBQESA-N -1 0 315.337 -0.212 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](O)Cc1ccc(F)cc1 ZINC001471899674 1009854348 /nfs/dbraw/zinc/85/43/48/1009854348.db2.gz BZRCRCNXKUXKKZ-SNVBAGLBSA-N -1 0 310.285 -0.452 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)Cc2ccon2)c1[O-] ZINC001448764906 1009869140 /nfs/dbraw/zinc/86/91/40/1009869140.db2.gz HYAZHSVADNMBPG-UHFFFAOYSA-N -1 0 307.310 -0.157 20 0 DBADRM COC(=O)c1cnc(CCNC(=O)CCc2nnn[n-]2)s1 ZINC001472193588 1009874240 /nfs/dbraw/zinc/87/42/40/1009874240.db2.gz HYQJMNOGJSYRJQ-UHFFFAOYSA-N -1 0 310.339 -0.266 20 0 DBADRM O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001448790287 1009878389 /nfs/dbraw/zinc/87/83/89/1009878389.db2.gz ZORABNWHKHMUQX-URLYPYJESA-N -1 0 302.290 -0.359 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2c[n-]ncc2=O)C[C@H]1C(=O)OC ZINC001472349996 1009881233 /nfs/dbraw/zinc/88/12/33/1009881233.db2.gz NZQJFHCDGFZLFF-DTORHVGOSA-N -1 0 309.278 -0.784 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2c[n-]ncc2=O)C[C@@H]1C(=O)OC ZINC001472349997 1009881946 /nfs/dbraw/zinc/88/19/46/1009881946.db2.gz NZQJFHCDGFZLFF-IUCAKERBSA-N -1 0 309.278 -0.784 20 0 DBADRM Cc1ccc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)n1C ZINC001448807441 1009885024 /nfs/dbraw/zinc/88/50/24/1009885024.db2.gz PIHHLYYZNDEXPS-VIFPVBQESA-N -1 0 308.342 -0.962 20 0 DBADRM CCOC(=O)[C@H](CC)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001472498602 1009887366 /nfs/dbraw/zinc/88/73/66/1009887366.db2.gz OGUCZAONAGKNHR-ZCFIWIBFSA-N -1 0 304.328 -0.264 20 0 DBADRM COC[C@@H](C(N)=O)N(C)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001472572708 1009890489 /nfs/dbraw/zinc/89/04/89/1009890489.db2.gz SMSYVDIUOTXQQA-JTQLQIEISA-N -1 0 320.305 -0.398 20 0 DBADRM Cn1cnc(-c2nnc3n2CCN(C(=O)c2n[nH]c(=O)[n-]2)C3)c1 ZINC001472610562 1009892738 /nfs/dbraw/zinc/89/27/38/1009892738.db2.gz BXKIXACKBMHNFL-UHFFFAOYSA-N -1 0 315.297 -0.842 20 0 DBADRM COC(=O)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]1)Oc1ccccc1 ZINC001472616232 1009892898 /nfs/dbraw/zinc/89/28/98/1009892898.db2.gz SQILKXNCSVITBO-SECBINFHSA-N -1 0 306.278 -0.139 20 0 DBADRM CO[C@@H](C)C(=O)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC001472939970 1009898709 /nfs/dbraw/zinc/89/87/09/1009898709.db2.gz HNZXVPZROQLEEX-NSHDSACASA-N -1 0 319.365 -0.298 20 0 DBADRM Cc1nn(C)cc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001472943238 1009899156 /nfs/dbraw/zinc/89/91/56/1009899156.db2.gz DAGCIPDDUKODGF-UHFFFAOYSA-N -1 0 305.342 -0.490 20 0 DBADRM Nc1nc2nc(CN3CCC[C@H]4CCNC(=O)[C@H]43)cc(=O)n2[n-]1 ZINC001473745865 1009944571 /nfs/dbraw/zinc/94/45/71/1009944571.db2.gz XMAIDCVYYRPMFF-KWQFWETISA-N -1 0 317.353 -0.900 20 0 DBADRM Nc1nc2nc(CN3CCC[C@@H]4CCNC(=O)[C@H]43)cc(=O)n2[n-]1 ZINC001473745862 1009945285 /nfs/dbraw/zinc/94/52/85/1009945285.db2.gz XMAIDCVYYRPMFF-KCJUWKMLSA-N -1 0 317.353 -0.900 20 0 DBADRM C[C@H](NS(=O)(=O)c1ncc[n-]1)C(=O)NCC(F)(F)F ZINC001474860300 1009981144 /nfs/dbraw/zinc/98/11/44/1009981144.db2.gz RALOVBLJMZQKQS-YFKPBYRVSA-N -1 0 300.262 -0.245 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]N2CCCNC2=O)n(C)c1 ZINC001475206037 1010009663 /nfs/dbraw/zinc/00/96/63/1010009663.db2.gz VHBRCRPKLLMAPA-UHFFFAOYSA-N -1 0 316.339 -0.580 20 0 DBADRM CNS(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001475437648 1010027046 /nfs/dbraw/zinc/02/70/46/1010027046.db2.gz FKIMLBVDSFFGOA-BQBZGAKWSA-N -1 0 303.306 -0.018 20 0 DBADRM C[C@H]1CC[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)CS1(=O)=O ZINC001475470069 1010031428 /nfs/dbraw/zinc/03/14/28/1010031428.db2.gz JUEGAANOHDXCFS-JGVFFNPUSA-N -1 0 318.442 -0.486 20 0 DBADRM CCN1CC[C@H]([N-]S(=O)(=O)c2occc2C(=O)OC)C1=O ZINC001475575985 1010036878 /nfs/dbraw/zinc/03/68/78/1010036878.db2.gz VPRVAYJZLUZMCF-VIFPVBQESA-N -1 0 316.335 -0.035 20 0 DBADRM O=C1NCCO[C@@H]2CCCN(S(=O)(=O)c3ncc[n-]3)[C@@H]12 ZINC001475609968 1010041047 /nfs/dbraw/zinc/04/10/47/1010041047.db2.gz BSIPRPVZBCGGJK-RKDXNWHRSA-N -1 0 300.340 -0.922 20 0 DBADRM CCc1c(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)ccn1C ZINC001448911109 1010053916 /nfs/dbraw/zinc/05/39/16/1010053916.db2.gz SFOANTXSJHLQOB-VIFPVBQESA-N -1 0 322.369 -0.708 20 0 DBADRM COC(=O)C(F)(F)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001475755219 1010054149 /nfs/dbraw/zinc/05/41/49/1010054149.db2.gz ZKUDRQAWMYIRCQ-UHFFFAOYSA-N -1 0 320.339 -0.109 20 0 DBADRM COC(=O)C1(NS(=O)(=O)c2ccccc2[O-])CC(CO)C1 ZINC001475784363 1010057771 /nfs/dbraw/zinc/05/77/71/1010057771.db2.gz LZGKZUJIRGPARX-UHFFFAOYSA-N -1 0 315.347 -0.015 20 0 DBADRM CC[C@@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)C(=O)N1CCOCC1 ZINC001595236369 1017081515 /nfs/dbraw/zinc/08/15/15/1017081515.db2.gz DZCZJANHJZVCAW-SFNBMPIDSA-N -1 0 310.350 -0.005 20 0 DBADRM CC[C@](COC)(NC(=O)c1ccc(-n2cnnn2)cn1)C(=O)[O-] ZINC001595195038 1017081575 /nfs/dbraw/zinc/08/15/75/1017081575.db2.gz WVKIERNVIJNLAT-CYBMUJFWSA-N -1 0 320.309 -0.333 20 0 DBADRM COC(=O)[C@@]1(C[N-]S(=O)(=O)N=S(C)(C)=O)CCOC1 ZINC001475803835 1010061839 /nfs/dbraw/zinc/06/18/39/1010061839.db2.gz WBGRPYJMPZISDE-SECBINFHSA-N -1 0 314.385 -0.872 20 0 DBADRM CC[C@@H](COC)NC(=O)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001595198669 1017081795 /nfs/dbraw/zinc/08/17/95/1017081795.db2.gz KSCZRIWLJHCZQF-ZJUUUORDSA-N -1 0 318.395 -0.196 20 0 DBADRM CC[C@H](NC(=O)CN1CCC[C@H](C(=O)OC)C1=O)C(=O)[O-] ZINC001595242874 1017081884 /nfs/dbraw/zinc/08/18/84/1017081884.db2.gz RFHKMXNOOHMJPS-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)NOC(C)(C)CO)n1 ZINC001476154349 1010067152 /nfs/dbraw/zinc/06/71/52/1010067152.db2.gz PGPHJPCZQMBQHW-UHFFFAOYSA-N -1 0 300.319 -0.810 20 0 DBADRM CC[C@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)C(=O)[O-] ZINC001595265461 1017082452 /nfs/dbraw/zinc/08/24/52/1017082452.db2.gz UJKUGTJCZWPDHG-JTQLQIEISA-N -1 0 306.322 -0.389 20 0 DBADRM CC[C@@H](NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O)C(=O)[O-] ZINC001595265873 1017082474 /nfs/dbraw/zinc/08/24/74/1017082474.db2.gz IXQCHVPMGJFCFY-SSDOTTSWSA-N -1 0 316.339 -0.890 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001476594746 1010073112 /nfs/dbraw/zinc/07/31/12/1010073112.db2.gz AUSAMIJOCMCCHM-SECBINFHSA-N -1 0 310.362 -0.618 20 0 DBADRM CC[C@@H](OC)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001595354486 1017083544 /nfs/dbraw/zinc/08/35/44/1017083544.db2.gz XPWJOIKBZDOIOH-RISCZKNCSA-N -1 0 300.355 -0.201 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)OCCCC(=O)C(=O)[O-])C1=O ZINC001595372165 1017083610 /nfs/dbraw/zinc/08/36/10/1017083610.db2.gz YVQIGYDBHBZSNU-CYBMUJFWSA-N -1 0 314.294 -0.316 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)N2CC3CC2(C(=O)[O-])C3)C1=O ZINC001595371679 1017084250 /nfs/dbraw/zinc/08/42/50/1017084250.db2.gz KTEINUBZZORBLI-FEUBCLPYSA-N -1 0 309.322 -0.218 20 0 DBADRM CC[C@H](OC)C(=O)NC[C@@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001595354413 1017084731 /nfs/dbraw/zinc/08/47/31/1017084731.db2.gz WCWLEYLBEJZISO-ZJUUUORDSA-N -1 0 312.326 -0.511 20 0 DBADRM CC[C@]1(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CCNC1=O ZINC001595366235 1017085163 /nfs/dbraw/zinc/08/51/63/1017085163.db2.gz WXYIHCLHGNGRBF-OTYXRUKQSA-N -1 0 314.338 -0.375 20 0 DBADRM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001595405026 1017086180 /nfs/dbraw/zinc/08/61/80/1017086180.db2.gz OHDYQOUNLKOWMA-JTQLQIEISA-N -1 0 313.335 -0.321 20 0 DBADRM CC[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CCO1 ZINC001595406922 1017086365 /nfs/dbraw/zinc/08/63/65/1017086365.db2.gz CBOTYVUGPWLCQS-GMTAPVOTSA-N -1 0 319.379 -0.098 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C[C@H](CC)O1 ZINC001595470142 1017086949 /nfs/dbraw/zinc/08/69/49/1017086949.db2.gz DUAMWVYMDULXHI-GUBZILKMSA-N -1 0 304.318 -0.059 20 0 DBADRM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001595405539 1017087288 /nfs/dbraw/zinc/08/72/88/1017087288.db2.gz RLQYAJAXGZFXIV-ZETCQYMHSA-N -1 0 302.312 -0.993 20 0 DBADRM CCC[C@@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)S(N)(=O)=O ZINC001595532127 1017089424 /nfs/dbraw/zinc/08/94/24/1017089424.db2.gz FGHCSXUJJSBYLW-BDAKNGLRSA-N -1 0 308.356 -0.854 20 0 DBADRM CC[C@@H]1CN(CN2C[C@@H](C(=O)[O-])OC2=O)C[C@@H](C)S1(=O)=O ZINC001595487062 1017088227 /nfs/dbraw/zinc/08/82/27/1017088227.db2.gz HJCYSKJKTAPXGO-BBBLOLIVSA-N -1 0 320.367 -0.253 20 0 DBADRM CC[C@H]1CN(Cn2cc(C(=O)[O-])nn2)C[C@@H](C)S1(=O)=O ZINC001595491093 1017089440 /nfs/dbraw/zinc/08/94/40/1017089440.db2.gz LULGQITYPZLYER-BDAKNGLRSA-N -1 0 302.356 -0.169 20 0 DBADRM CC[C@H](F)C(=O)N(CCO)CCNc1ccnc(C(=O)[O-])n1 ZINC001595225962 1017080201 /nfs/dbraw/zinc/08/02/01/1017080201.db2.gz PKCAZWZXVFUNLI-VIFPVBQESA-N -1 0 314.317 -0.422 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C(C)(C)O ZINC001595228495 1017080301 /nfs/dbraw/zinc/08/03/01/1017080301.db2.gz GEIYVCISGBJAFH-MRVPVSSYSA-N -1 0 312.326 -0.278 20 0 DBADRM C[C@H](NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)C(=O)N(C)C ZINC001478387645 1010142098 /nfs/dbraw/zinc/14/20/98/1010142098.db2.gz JTCBHHMAWCBNJS-IUCAKERBSA-N -1 0 310.358 -0.124 20 0 DBADRM CN(C[C@@H]1CCN1Cc1cc(=O)[nH]c(C2CC2)n1)C(=O)C(N)=O ZINC001479242667 1010212859 /nfs/dbraw/zinc/21/28/59/1010212859.db2.gz KJWAREJORQAZDK-NSHDSACASA-N -1 0 319.365 -0.422 20 0 DBADRM CN(Cc1nncn1C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598541808 1017296703 /nfs/dbraw/zinc/29/67/03/1017296703.db2.gz WCOUSMUMHDXGGT-UHFFFAOYSA-N -1 0 300.300 -0.943 20 0 DBADRM CN(CCNC(=O)CCc1nnc[nH]1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598490256 1017285669 /nfs/dbraw/zinc/28/56/69/1017285669.db2.gz IZBQFBYSODTZIR-RKDXNWHRSA-N -1 0 309.326 -0.967 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)CO[C@H]1CCOC1 ZINC001598495235 1017286728 /nfs/dbraw/zinc/28/67/28/1017286728.db2.gz BOXXIJBUKZPMJC-NSHDSACASA-N -1 0 324.337 -0.149 20 0 DBADRM CN(CCNC(=O)c1cnnn1C)c1ccnc(C(=O)[O-])n1 ZINC001598493100 1017287353 /nfs/dbraw/zinc/28/73/53/1017287353.db2.gz PSTINSVJDDZUSG-UHFFFAOYSA-N -1 0 305.298 -0.831 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)CO[C@@H]1CCOC1 ZINC001598495232 1017287390 /nfs/dbraw/zinc/28/73/90/1017287390.db2.gz BOXXIJBUKZPMJC-LLVKDONJSA-N -1 0 324.337 -0.149 20 0 DBADRM CN(CCNC(=O)c1c[nH]c(=O)cn1)c1ncc(C(=O)[O-])cn1 ZINC001598493117 1017287667 /nfs/dbraw/zinc/28/76/67/1017287667.db2.gz XHAXZKUGFYCNSL-UHFFFAOYSA-N -1 0 318.293 -0.876 20 0 DBADRM CN(CCNC(=O)c1cnc[nH]c1=O)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598492565 1017287938 /nfs/dbraw/zinc/28/79/38/1017287938.db2.gz OYEMFVNKXXXVTJ-SFYZADRCSA-N -1 0 308.294 -0.909 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001598494453 1017287968 /nfs/dbraw/zinc/28/79/68/1017287968.db2.gz YHUQNRUVTRTNHA-SNVBAGLBSA-N -1 0 321.399 -0.322 20 0 DBADRM CN(CCNC(=O)c1cnn(C)c1)c1ncc(C(=O)[O-])cn1 ZINC001598493097 1017288012 /nfs/dbraw/zinc/28/80/12/1017288012.db2.gz PQZSDQCVSLNDLU-UHFFFAOYSA-N -1 0 304.310 -0.226 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)c1cnc(C(=O)[O-])cn1 ZINC001598539277 1017296822 /nfs/dbraw/zinc/29/68/22/1017296822.db2.gz BGRCCGJJAWCZSX-UHFFFAOYSA-N -1 0 302.294 -0.015 20 0 DBADRM CN(CCNC(=O)c1cnc[nH]c1=O)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598492560 1017288536 /nfs/dbraw/zinc/28/85/36/1017288536.db2.gz OYEMFVNKXXXVTJ-HTQZYQBOSA-N -1 0 308.294 -0.909 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC001479464292 1010289876 /nfs/dbraw/zinc/28/98/76/1010289876.db2.gz WLOSHQFUOPWIIZ-UHFFFAOYSA-N -1 0 322.247 -0.500 20 0 DBADRM C[C@H](NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)c1nnnn1C ZINC001479490786 1010295962 /nfs/dbraw/zinc/29/59/62/1010295962.db2.gz BMKRFNDYWLEKJC-YUMQZZPRSA-N -1 0 321.345 -0.316 20 0 DBADRM CN(CCNCc1nnc(C2CC2)[nH]1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598495535 1017290259 /nfs/dbraw/zinc/29/02/59/1017290259.db2.gz MROXIONFMAHWMZ-VHSXEESVSA-N -1 0 307.354 -0.049 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)Cc1cnn(C)c1 ZINC001598496143 1017290475 /nfs/dbraw/zinc/29/04/75/1017290475.db2.gz WRTYIITVYMCEHZ-UHFFFAOYSA-N -1 0 318.337 -0.557 20 0 DBADRM CN(CCNC(=O)c1nccnc1N)c1ccnc(C(=O)[O-])n1 ZINC001598496283 1017291472 /nfs/dbraw/zinc/29/14/72/1017291472.db2.gz ZHMBBQPULQYFLB-UHFFFAOYSA-N -1 0 317.309 -0.587 20 0 DBADRM CN(CCn1cccn1)CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001598503670 1017293921 /nfs/dbraw/zinc/29/39/21/1017293921.db2.gz OKZWXHQNHNCULF-AWEZNQCLSA-N -1 0 323.353 -0.052 20 0 DBADRM CN(CCc1ccccc1)CC(=O)NCC(=O)NCC(=O)[O-] ZINC001598502441 1017294176 /nfs/dbraw/zinc/29/41/76/1017294176.db2.gz VFJLHCVXHUCTNU-UHFFFAOYSA-N -1 0 307.350 -0.522 20 0 DBADRM CN(Cc1cnccn1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001598532654 1017294830 /nfs/dbraw/zinc/29/48/30/1017294830.db2.gz DLRQVCUZSQVWKH-UHFFFAOYSA-N -1 0 314.367 -0.050 20 0 DBADRM CN(Cc1ncccn1)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598538837 1017294973 /nfs/dbraw/zinc/29/49/73/1017294973.db2.gz VEUOOWHAKXBFAC-JTQLQIEISA-N -1 0 306.322 -0.242 20 0 DBADRM CCO[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001449191350 1010360083 /nfs/dbraw/zinc/36/00/83/1010360083.db2.gz GXUKXALGMKGWCG-VHSXEESVSA-N -1 0 315.374 -0.814 20 0 DBADRM CN(CCCNC(=O)[C@@]1(C)CCNC(=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001479777848 1010375299 /nfs/dbraw/zinc/37/52/99/1010375299.db2.gz DUJNWCDLHZBOHD-AWEZNQCLSA-N -1 0 324.385 -0.635 20 0 DBADRM C[C@@H](C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1)[C@@H]1CCC(=O)N1 ZINC001479798409 1010389121 /nfs/dbraw/zinc/38/91/21/1010389121.db2.gz WRXKKVVRNBZTDA-ZJUUUORDSA-N -1 0 324.385 -0.637 20 0 DBADRM COCc1nocc1C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001479808380 1010393740 /nfs/dbraw/zinc/39/37/40/1010393740.db2.gz AGTPSBFWPZQSET-UHFFFAOYSA-N -1 0 324.341 -0.103 20 0 DBADRM CN(CCCNC(=O)c1ccc(=O)[nH]c1)Cc1n[nH]c(=O)[n-]1 ZINC001479811552 1010401578 /nfs/dbraw/zinc/40/15/78/1010401578.db2.gz UEUNIAQNEAURKG-UHFFFAOYSA-N -1 0 306.326 -0.137 20 0 DBADRM O=C(CCc1nnn[n-]1)NC[C@@H]1CCCN(Cc2ncon2)C1 ZINC001449356542 1010451987 /nfs/dbraw/zinc/45/19/87/1010451987.db2.gz ITRUIVIYXSJZFP-JTQLQIEISA-N -1 0 320.357 -0.456 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C(C)(C)F ZINC001449474193 1010483483 /nfs/dbraw/zinc/48/34/83/1010483483.db2.gz AEYUAUABZVWJCM-UHFFFAOYSA-N -1 0 317.321 -0.598 20 0 DBADRM CCC[C@H](C(=O)N[C@@H](CC(F)F)C(=O)[O-])S(N)(=O)=O ZINC001595535979 1017090174 /nfs/dbraw/zinc/09/01/74/1017090174.db2.gz KNJORPICKPMBOK-NTSWFWBYSA-N -1 0 302.299 -0.332 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)Cn2ccnc2)c1[O-] ZINC001449669359 1010540646 /nfs/dbraw/zinc/54/06/46/1010540646.db2.gz WTHUKIPWSMEQAC-BDAKNGLRSA-N -1 0 320.353 -0.057 20 0 DBADRM CCC[C@H](C(=O)N[C@]1(CC(=O)[O-])CCCOC1)S(N)(=O)=O ZINC001595535471 1017090601 /nfs/dbraw/zinc/09/06/01/1017090601.db2.gz CVVHNQKLWJTDET-SKDRFNHKSA-N -1 0 322.383 -0.416 20 0 DBADRM CCCC(=O)N1CCC[C@@H](C(=O)NCC[C@H](O)C(=O)[O-])C1 ZINC001595521826 1017090654 /nfs/dbraw/zinc/09/06/54/1017090654.db2.gz DNKRLFOAKPYUSO-MNOVXSKESA-N -1 0 300.355 -0.023 20 0 DBADRM CCC[C@H](O)[C@@H](CO)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001595609090 1017091313 /nfs/dbraw/zinc/09/13/13/1017091313.db2.gz OWVGDDWXVJITEC-QCNOEVLYSA-N -1 0 303.355 -0.106 20 0 DBADRM CCC[C@@H](O)[C@@H](CO)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001595609089 1017091478 /nfs/dbraw/zinc/09/14/78/1017091478.db2.gz OWVGDDWXVJITEC-IRCOFANPSA-N -1 0 303.355 -0.106 20 0 DBADRM CCC[C@H](C)N1C[C@H](C(=O)NCC(=O)NCC(=O)[O-])CC1=O ZINC001595580022 1017091555 /nfs/dbraw/zinc/09/15/55/1017091555.db2.gz ZLMYTUSFNKSPTK-VHSXEESVSA-N -1 0 313.354 -0.660 20 0 DBADRM CCC[C@H](O)[C@H](CO)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001595609416 1017092387 /nfs/dbraw/zinc/09/23/87/1017092387.db2.gz VZZXGDPERVZRLJ-IUCAKERBSA-N -1 0 316.310 -0.473 20 0 DBADRM CCC[C@](C)(NC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001595546936 1017092750 /nfs/dbraw/zinc/09/27/50/1017092750.db2.gz IJBNQRNMFVNBHN-LBPRGKRZSA-N -1 0 306.384 -0.524 20 0 DBADRM CCC[C@H](C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)S(N)(=O)=O ZINC001595536533 1017093044 /nfs/dbraw/zinc/09/30/44/1017093044.db2.gz AFIMZXGRMIXBRK-SREGZZRCSA-N -1 0 304.368 -0.187 20 0 DBADRM CCC[C@](C)(O)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001595566532 1017093113 /nfs/dbraw/zinc/09/31/13/1017093113.db2.gz SEIIXTLGDZIURV-YGRLFVJLSA-N -1 0 300.355 -0.023 20 0 DBADRM CCCC[C@H](C(=O)[O-])S(=O)(=O)CCCN1C(=O)CNC1=O ZINC001595629871 1017093943 /nfs/dbraw/zinc/09/39/43/1017093943.db2.gz QMAHFVFCUCCNCH-SECBINFHSA-N -1 0 320.367 -0.014 20 0 DBADRM CC(C)CC(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001449800052 1010565880 /nfs/dbraw/zinc/56/58/80/1010565880.db2.gz BOADIGAMLODCBY-QMMMGPOBSA-N -1 0 311.342 -0.094 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001595638898 1017095286 /nfs/dbraw/zinc/09/52/86/1017095286.db2.gz ISHAPLKCDLREOP-ZJUUUORDSA-N -1 0 311.342 -0.251 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001595639132 1017095510 /nfs/dbraw/zinc/09/55/10/1017095510.db2.gz PQFHXVQXZIZTTP-XHNCKOQMSA-N -1 0 316.358 -0.693 20 0 DBADRM CCCCNC(=O)[C@@H]1CSCN1C(=O)COCC(=O)[O-] ZINC001595754399 1017097393 /nfs/dbraw/zinc/09/73/93/1017097393.db2.gz OVJJIOGCKUUMSA-VIFPVBQESA-N -1 0 304.368 -0.095 20 0 DBADRM Cn1cc(NC(=O)N[C@@H]2CCC(=O)N(C)C2=O)cc1C(=O)[O-] ZINC001598549300 1017297978 /nfs/dbraw/zinc/29/79/78/1017297978.db2.gz NVMRTHMNCTUQIX-MRVPVSSYSA-N -1 0 308.294 -0.008 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(=O)[O-])n2)C1=O ZINC001598546015 1017298178 /nfs/dbraw/zinc/29/81/78/1017298178.db2.gz WLJVEJQVBXWLLX-UHFFFAOYSA-N -1 0 306.234 -0.861 20 0 DBADRM CN1C(=O)CN(CC(=O)Nc2cccc(C(=O)[O-])c2O)C1=O ZINC001598551068 1017298227 /nfs/dbraw/zinc/29/82/27/1017298227.db2.gz LIIYTYVSAAKTPY-UHFFFAOYSA-N -1 0 307.262 -0.077 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)NC[C@H](CC(=O)[O-])C2CC2)C1=O ZINC001598545512 1017298468 /nfs/dbraw/zinc/29/84/68/1017298468.db2.gz FRVMQLRDTUAOJZ-QMMMGPOBSA-N -1 0 311.294 -0.976 20 0 DBADRM CN1C(=O)CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)C1=O ZINC001598549670 1017298875 /nfs/dbraw/zinc/29/88/75/1017298875.db2.gz SIOJTVPIXZRDOU-ZETCQYMHSA-N -1 0 316.291 -0.597 20 0 DBADRM CN(c1ncc(C(=O)[O-])cn1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001598546447 1017298889 /nfs/dbraw/zinc/29/88/89/1017298889.db2.gz CHVJOWVFLBCMSW-VIFPVBQESA-N -1 0 307.310 -0.913 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)N2CC(O)(C(=O)[O-])C2)c2ccccc21 ZINC001598549436 1017299374 /nfs/dbraw/zinc/29/93/74/1017299374.db2.gz MZPHJWRESCYUHB-SNVBAGLBSA-N -1 0 304.302 -0.205 20 0 DBADRM CN1C[C@@H](COC(=O)Cn2cccc(C(=O)[O-])c2=O)CCC1=O ZINC001598566439 1017309714 /nfs/dbraw/zinc/30/97/14/1017309714.db2.gz GLEGAUBOMASHMM-JTQLQIEISA-N -1 0 322.317 -0.042 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001450034761 1010618585 /nfs/dbraw/zinc/61/85/85/1010618585.db2.gz INVUTPAFTBSRRO-KXUCPTDWSA-N -1 0 322.365 -0.281 20 0 DBADRM CN1C[C@@H](C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)NCC1=O ZINC001598558294 1017300433 /nfs/dbraw/zinc/30/04/33/1017300433.db2.gz BALAQZWFGHXWDJ-ZDUSSCGKSA-N -1 0 317.345 -0.300 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001598552709 1017300548 /nfs/dbraw/zinc/30/05/48/1017300548.db2.gz AOHQYQXCIOQQJB-SDZLHINSSA-N -1 0 300.336 -0.265 20 0 DBADRM CN1C(=O)c2ccc(C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])cc2C1=O ZINC001598557329 1017300922 /nfs/dbraw/zinc/30/09/22/1017300922.db2.gz XOMHDHYJTNJDOP-KCJUWKMLSA-N -1 0 318.285 -0.428 20 0 DBADRM CN1C(=O)CN(NC(=O)Nc2cccc(CC(=O)[O-])n2)C1=O ZINC001598553608 1017301696 /nfs/dbraw/zinc/30/16/96/1017301696.db2.gz WDQDWELMGNCQAQ-UHFFFAOYSA-N -1 0 307.266 -0.361 20 0 DBADRM CN1C[C@@H](C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1=O ZINC001598559718 1017303179 /nfs/dbraw/zinc/30/31/79/1017303179.db2.gz KKEBDFPFNXLFBL-DTWKUNHWSA-N -1 0 307.310 -0.772 20 0 DBADRM CN1C[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)NC1=O ZINC001598560524 1017303207 /nfs/dbraw/zinc/30/32/07/1017303207.db2.gz RRVVJDNORAYMFU-ZYHUDNBSSA-N -1 0 319.317 -0.113 20 0 DBADRM CN1C[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])NC1=O ZINC001598558757 1017303274 /nfs/dbraw/zinc/30/32/74/1017303274.db2.gz DSYOJWUWOUAKCY-QWRGUYRKSA-N -1 0 309.297 -0.039 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)C[C@H](O)CC(C)(C)C)CC1=O ZINC001598561357 1017303869 /nfs/dbraw/zinc/30/38/69/1017303869.db2.gz DNWVXNREICIYEO-UWVGGRQHSA-N -1 0 300.355 -0.073 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)C1=O ZINC001598558961 1017303938 /nfs/dbraw/zinc/30/39/38/1017303938.db2.gz OMYJKYWHRGKBNL-GFCCVEGCSA-N -1 0 321.289 -0.472 20 0 DBADRM CCn1cc(CN[C@H](C)CNC(=O)c2[nH]nc(C)c2[O-])nn1 ZINC001480450143 1010644089 /nfs/dbraw/zinc/64/40/89/1010644089.db2.gz YSARGORBWIAOOP-MRVPVSSYSA-N -1 0 307.358 -0.057 20 0 DBADRM COCc1noc(CN[C@H](C)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001480448922 1010644094 /nfs/dbraw/zinc/64/40/94/1010644094.db2.gz RFDUSNPTDZPMLS-SSDOTTSWSA-N -1 0 324.341 -0.139 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])CCC1=O ZINC001598568882 1017310074 /nfs/dbraw/zinc/31/00/74/1017310074.db2.gz XFUHZZJMBSBVMA-ZJUUUORDSA-N -1 0 311.338 -0.811 20 0 DBADRM CO[C@@H]1COCC[C@H]1CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001450158455 1010650997 /nfs/dbraw/zinc/65/09/97/1010650997.db2.gz XPGLHARYDJAIJA-JGVFFNPUSA-N -1 0 302.356 -0.230 20 0 DBADRM CCCC[C@H](CNC(=O)CC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001450251514 1010667329 /nfs/dbraw/zinc/66/73/29/1010667329.db2.gz OSBLXIGQZRBDPG-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)/C=C\c2ccc(C(N)=O)o2)CC1=O ZINC001598564066 1017308551 /nfs/dbraw/zinc/30/85/51/1017308551.db2.gz WLUWKDHATNKFBH-AZVKUDOFSA-N -1 0 321.289 -0.855 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(CC(=O)NCc2ccc(F)cc2)CC1=O ZINC001598564760 1017308628 /nfs/dbraw/zinc/30/86/28/1017308628.db2.gz XKGTXPVTCSBAKO-GFCCVEGCSA-N -1 0 323.324 -0.331 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ncn(C(C)(C)C)n2)CC1=O ZINC001598564129 1017308659 /nfs/dbraw/zinc/30/86/59/1017308659.db2.gz QLJOTMAVTJDQQK-MRVPVSSYSA-N -1 0 309.326 -0.600 20 0 DBADRM CCC(=O)N[C@H](C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001450277344 1010676035 /nfs/dbraw/zinc/67/60/35/1010676035.db2.gz LTQDJQRBMHVZAP-MRVPVSSYSA-N -1 0 308.338 -0.527 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H](C)C1CN(C(=O)c2cnc[nH]c2=O)C1 ZINC001450315176 1010690396 /nfs/dbraw/zinc/69/03/96/1010690396.db2.gz VCCAPGNYLATMDJ-IUCAKERBSA-N -1 0 308.338 -0.206 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cccn(CC(F)(F)F)c1=O ZINC001450460466 1010733813 /nfs/dbraw/zinc/73/38/13/1010733813.db2.gz IGIKMJFCZOAZTH-UHFFFAOYSA-N -1 0 319.199 -0.203 20 0 DBADRM COCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001450479786 1010738913 /nfs/dbraw/zinc/73/89/13/1010738913.db2.gz ZLYJHSCMSNVRGG-OWUUHHOZSA-N -1 0 308.338 -0.496 20 0 DBADRM CC(C)CC(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001450546488 1010755806 /nfs/dbraw/zinc/75/58/06/1010755806.db2.gz PVKZHSUURZZLHA-UHFFFAOYSA-N -1 0 311.342 -0.690 20 0 DBADRM CN(CCNC(=O)[C@H]1CCc2cncn2C1)Cc1n[nH]c(=O)[n-]1 ZINC001480884228 1010789648 /nfs/dbraw/zinc/78/96/48/1010789648.db2.gz OMOZYRLHPBABCP-JTQLQIEISA-N -1 0 319.369 -0.483 20 0 DBADRM C[C@H](CN(C)C(=O)CC1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001450872408 1010810184 /nfs/dbraw/zinc/81/01/84/1010810184.db2.gz GZUGBOGUBXOZEW-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM Cc1oncc1CN(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001480940808 1010811324 /nfs/dbraw/zinc/81/13/24/1010811324.db2.gz UZGVFMLFCPNUNZ-UHFFFAOYSA-N -1 0 310.314 -0.766 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1CC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001450908351 1010815970 /nfs/dbraw/zinc/81/59/70/1010815970.db2.gz RAAVHNSQWDYRRO-JGVFFNPUSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC1(C)C ZINC001451036844 1010841948 /nfs/dbraw/zinc/84/19/48/1010841948.db2.gz IIPLFHNYQKRHSS-HTQZYQBOSA-N -1 0 323.353 -0.047 20 0 DBADRM CCCN(CCNC(=O)c1cncn1C)Cc1n[nH]c(=O)[n-]1 ZINC001481141242 1010844756 /nfs/dbraw/zinc/84/47/56/1010844756.db2.gz LCNLIRHWRAFSFF-UHFFFAOYSA-N -1 0 307.358 -0.114 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)C1=COCCO1 ZINC001481156961 1010848472 /nfs/dbraw/zinc/84/84/72/1010848472.db2.gz JNHAWAXNCBBCIV-UHFFFAOYSA-N -1 0 309.326 -0.521 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)[C@@H]1CCNC(=O)C1 ZINC001481164947 1010849414 /nfs/dbraw/zinc/84/94/14/1010849414.db2.gz YATYXEJQJZLGRP-SECBINFHSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)c1cnns1 ZINC001481161556 1010849462 /nfs/dbraw/zinc/84/94/62/1010849462.db2.gz OPESYZHJQWGPHH-UHFFFAOYSA-N -1 0 309.355 -0.244 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)N1C[C@H](CO)[C@H](O)C1 ZINC001451189805 1010864964 /nfs/dbraw/zinc/86/49/64/1010864964.db2.gz SIIKHCZSZMEPCT-PHDIDXHHSA-N -1 0 307.422 -0.270 20 0 DBADRM CC[C@@H](F)C(=O)N(C)C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001451194888 1010866489 /nfs/dbraw/zinc/86/64/89/1010866489.db2.gz YDKVYQKWUXADHG-JGVFFNPUSA-N -1 0 317.321 -0.600 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001481374894 1010894497 /nfs/dbraw/zinc/89/44/97/1010894497.db2.gz CQQJUAFHIKALEE-INTQDDNPSA-N -1 0 322.369 -0.790 20 0 DBADRM CC(=O)NCCC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001451348365 1010902394 /nfs/dbraw/zinc/90/23/94/1010902394.db2.gz QUDPUJNNSNANNF-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM COC[C@@H](C)N1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001481569127 1010915519 /nfs/dbraw/zinc/91/55/19/1010915519.db2.gz PCHBJHIYVHRXNP-MRVPVSSYSA-N -1 0 311.342 -0.949 20 0 DBADRM O=C(CCOCC1CC1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481624562 1010940043 /nfs/dbraw/zinc/94/00/43/1010940043.db2.gz BZSURDUBVOIUQO-UHFFFAOYSA-N -1 0 309.370 -0.125 20 0 DBADRM CC[C@H](C)C(=O)NC[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001451499217 1010971278 /nfs/dbraw/zinc/97/12/78/1010971278.db2.gz NQVQQKAJEPEBLH-YUMQZZPRSA-N -1 0 311.342 -0.189 20 0 DBADRM CN(C(=O)CCc1cn[nH]n1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481741542 1010986397 /nfs/dbraw/zinc/98/63/97/1010986397.db2.gz NKVDKLCUSGZGKX-JTQLQIEISA-N -1 0 320.357 -0.706 20 0 DBADRM CN1CC[C@H](CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1=O ZINC001451980823 1011091679 /nfs/dbraw/zinc/09/16/79/1011091679.db2.gz NUIUZGUBOIVVJG-VIFPVBQESA-N -1 0 311.342 -0.546 20 0 DBADRM CC(C)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1(C)CC1 ZINC001451992522 1011094050 /nfs/dbraw/zinc/09/40/50/1011094050.db2.gz CAVMZADPVIBHAU-MRVPVSSYSA-N -1 0 323.353 -0.047 20 0 DBADRM Cn1cnc(C(=O)N[C@@H](c2nc(=O)o[n-]2)C(C)(C)C)cc1=O ZINC001452150506 1011115354 /nfs/dbraw/zinc/11/53/54/1011115354.db2.gz MQZCJRWPAXUJML-VIFPVBQESA-N -1 0 307.310 -0.026 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001452154807 1011116678 /nfs/dbraw/zinc/11/66/78/1011116678.db2.gz XQHDLUFOMMWSRD-NKWVEPMBSA-N -1 0 320.371 -0.496 20 0 DBADRM CCC(=O)NC[C@H]1CCC[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001452238223 1011131480 /nfs/dbraw/zinc/13/14/80/1011131480.db2.gz PCVTVIYHYHCVCH-BDAKNGLRSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)CCS(C)(=O)=O)c1[O-] ZINC001482590649 1011199158 /nfs/dbraw/zinc/19/91/58/1011199158.db2.gz XEWGTBYGYWDWFU-UHFFFAOYSA-N -1 0 318.399 -0.528 20 0 DBADRM CCc1nc[nH]c1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001482645656 1011243398 /nfs/dbraw/zinc/24/33/98/1011243398.db2.gz BLZMYHRHOBUYGI-UHFFFAOYSA-N -1 0 307.358 0.000 20 0 DBADRM Cc1ncc(CN(C)CCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001482645580 1011244638 /nfs/dbraw/zinc/24/46/38/1011244638.db2.gz YRSPOSNBHOBYJS-UHFFFAOYSA-N -1 0 324.341 -0.424 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001452705677 1011353669 /nfs/dbraw/zinc/35/36/69/1011353669.db2.gz LDAMHFQQJZIGLR-OPRDCNLKSA-N -1 0 322.365 -0.234 20 0 DBADRM CN1C[C@@H](NC(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)CC1=O ZINC001598567516 1017310268 /nfs/dbraw/zinc/31/02/68/1017310268.db2.gz HFEWKZUNLDQWLI-IUCAKERBSA-N -1 0 321.337 -0.054 20 0 DBADRM CN1C[C@H](NC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CCC1=O ZINC001598568412 1017310740 /nfs/dbraw/zinc/31/07/40/1017310740.db2.gz RIFFVLUVGIBZBJ-OTYXRUKQSA-N -1 0 324.337 -0.378 20 0 DBADRM CN1C[C@H](O)C[C@@]1(C)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001598568698 1017311483 /nfs/dbraw/zinc/31/14/83/1017311483.db2.gz DULOAPSQNYTNNS-CWSCBRNRSA-N -1 0 302.396 -0.282 20 0 DBADRM CN1CC[C@@](C)(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C1=O ZINC001598577455 1017312950 /nfs/dbraw/zinc/31/29/50/1017312950.db2.gz FLPKICXOEPPJTO-ZIAGYGMSSA-N -1 0 309.322 -0.313 20 0 DBADRM CN1C[C@H](OC(=O)c2ccc(-n3cnnn3)cc2)C[C@H]1C(=O)[O-] ZINC001598572051 1017314364 /nfs/dbraw/zinc/31/43/64/1017314364.db2.gz CRBBWXAMBRGQJM-NEPJUHHUSA-N -1 0 317.305 -0.024 20 0 DBADRM CN1C[C@@H](OC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CCC1=O ZINC001598571183 1017314514 /nfs/dbraw/zinc/31/45/14/1017314514.db2.gz BCXIDKWQQNQBJW-VHSXEESVSA-N -1 0 312.322 -0.526 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCN(C)C(=O)C2)cc1C(=O)[O-] ZINC001598586935 1017322324 /nfs/dbraw/zinc/32/23/24/1017322324.db2.gz BXRQFWOFOFPFBA-MRVPVSSYSA-N -1 0 315.351 -0.378 20 0 DBADRM CN1C[C@H](OC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CCC1=O ZINC001598571184 1017315374 /nfs/dbraw/zinc/31/53/74/1017315374.db2.gz BCXIDKWQQNQBJW-ZJUUUORDSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])CC1=O ZINC001598581413 1017317003 /nfs/dbraw/zinc/31/70/03/1017317003.db2.gz TWZZTMSUISLKLP-HZMBPMFUSA-N -1 0 308.338 -0.289 20 0 DBADRM CN1CC[C@@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1=O ZINC001598585291 1017320037 /nfs/dbraw/zinc/32/00/37/1017320037.db2.gz FKLSGPHGTKNIFS-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM CN([C@H]1CCN(C)C1=O)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001598585221 1017321211 /nfs/dbraw/zinc/32/12/11/1017321211.db2.gz NGATYYLNHKWZJA-QMMMGPOBSA-N -1 0 313.335 -0.369 20 0 DBADRM CN1CC[C@@H](CNS(=O)(=O)C2(C(=O)[O-])CCC2)CC1=O ZINC001598584164 1017321529 /nfs/dbraw/zinc/32/15/29/1017321529.db2.gz SHOVHSQLKWSFSP-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CCC(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001453134560 1011524709 /nfs/dbraw/zinc/52/47/09/1011524709.db2.gz TZJCTBFVHWVBNJ-SECBINFHSA-N -1 0 323.353 -0.719 20 0 DBADRM CCC1(C(=O)NC[C@@H]2CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001453255234 1011581373 /nfs/dbraw/zinc/58/13/73/1011581373.db2.gz PPHURLQSQFAONG-QMMMGPOBSA-N -1 0 321.337 -0.196 20 0 DBADRM CC(C)(C)C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001453269366 1011587564 /nfs/dbraw/zinc/58/75/64/1011587564.db2.gz QBFKLBHCJKDVKZ-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H](CO)Cc1ccccc1 ZINC001453300513 1011602054 /nfs/dbraw/zinc/60/20/54/1011602054.db2.gz DWLBZFHWARMIJL-LLVKDONJSA-N -1 0 306.322 -0.249 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001483091751 1011677485 /nfs/dbraw/zinc/67/74/85/1011677485.db2.gz AFRVTWJYRZCCBS-PLNGDYQASA-N -1 0 324.385 -0.565 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN[C@H](C)c2nnnn2C)c1[O-] ZINC001483120950 1011703629 /nfs/dbraw/zinc/70/36/29/1011703629.db2.gz SFTMTDDNDQCQKE-HTRCEHHLSA-N -1 0 308.346 -0.584 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)c1[O-] ZINC001453509232 1011712448 /nfs/dbraw/zinc/71/24/48/1011712448.db2.gz KWUKYPQXABIVQL-MYJAWHEDSA-N -1 0 320.349 -0.305 20 0 DBADRM O=C(CCCF)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001453587044 1011744566 /nfs/dbraw/zinc/74/45/66/1011744566.db2.gz RAWBNBLKSOGTDA-SSDOTTSWSA-N -1 0 313.289 -0.637 20 0 DBADRM Cc1cc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)ncc1C(N)=O ZINC001453745215 1011808819 /nfs/dbraw/zinc/80/88/19/1011808819.db2.gz APSQRPIUWOQAID-SSDOTTSWSA-N -1 0 305.294 -0.584 20 0 DBADRM CCCC(=O)N1CC[C@](C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001453895703 1011831498 /nfs/dbraw/zinc/83/14/98/1011831498.db2.gz VEHYQXZRZOXRAE-ZDUSSCGKSA-N -1 0 311.342 -0.403 20 0 DBADRM Cc1cnc(CN(C)C[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001483358721 1011854163 /nfs/dbraw/zinc/85/41/63/1011854163.db2.gz YUOXPEKFVCVAGR-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM COc1nn(C)cc1C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001483371400 1011857514 /nfs/dbraw/zinc/85/75/14/1011857514.db2.gz WYYBWYGGACRXHU-MRVPVSSYSA-N -1 0 323.357 -0.497 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001483374761 1011858679 /nfs/dbraw/zinc/85/86/79/1011858679.db2.gz MQXNHAIVYRTJBE-IUCAKERBSA-N -1 0 310.358 -0.932 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001483396324 1011865648 /nfs/dbraw/zinc/86/56/48/1011865648.db2.gz MJXZKMLSLMVBBW-QMMMGPOBSA-N -1 0 312.374 -0.639 20 0 DBADRM CCn1ccc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001483392895 1011865672 /nfs/dbraw/zinc/86/56/72/1011865672.db2.gz IBDIRURNUVJTJN-SECBINFHSA-N -1 0 307.358 -0.023 20 0 DBADRM CC(C)C(=O)NC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001454112033 1011868427 /nfs/dbraw/zinc/86/84/27/1011868427.db2.gz YUHLWRPWSYDIFR-SECBINFHSA-N -1 0 311.342 -0.644 20 0 DBADRM C[C@H](CN(C)Cc1nccn1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001483412591 1011869425 /nfs/dbraw/zinc/86/94/25/1011869425.db2.gz XYOPTXJGIIPLOQ-SECBINFHSA-N -1 0 323.357 -0.941 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001454255992 1011893300 /nfs/dbraw/zinc/89/33/00/1011893300.db2.gz RYRFXYCFMNUFSS-JQWIXIFHSA-N -1 0 319.321 -0.281 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC001454255991 1011893650 /nfs/dbraw/zinc/89/36/50/1011893650.db2.gz RYRFXYCFMNUFSS-CMPLNLGQSA-N -1 0 319.321 -0.281 20 0 DBADRM COc1ncc(CCNC(=O)CCCn2c(=O)[n-][nH]c2=O)cn1 ZINC001454313688 1011918397 /nfs/dbraw/zinc/91/83/97/1011918397.db2.gz AFRMFBHTBAHIPC-UHFFFAOYSA-N -1 0 322.325 -0.373 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@H]1C[C@@H](NC(=O)C2CC2)C1 ZINC001454354896 1011935836 /nfs/dbraw/zinc/93/58/36/1011935836.db2.gz JMWUSOWIHAWZBP-DTORHVGOSA-N -1 0 321.337 -0.611 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001595787536 1017101147 /nfs/dbraw/zinc/10/11/47/1017101147.db2.gz MYUBHZGQJVSMTN-SNVBAGLBSA-N -1 0 304.368 -0.005 20 0 DBADRM CCCN(C(=O)c1cc(C(=O)[O-])on1)[C@@H]1CC(=O)N(C)C1=O ZINC001595824481 1017101966 /nfs/dbraw/zinc/10/19/66/1017101966.db2.gz JHJXFZFLSZUNNH-MRVPVSSYSA-N -1 0 309.278 -0.018 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)Cn1cccc(C(=O)OC)c1=O ZINC001595849964 1017103543 /nfs/dbraw/zinc/10/35/43/1017103543.db2.gz ILBBLXPUTKWSST-UHFFFAOYSA-N -1 0 310.306 -0.042 20 0 DBADRM CCCN(CCNC(=O)c1cn[nH]n1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001595883184 1017103715 /nfs/dbraw/zinc/10/37/15/1017103715.db2.gz UCEODEBANUCALI-RKDXNWHRSA-N -1 0 309.326 -0.506 20 0 DBADRM CCCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1cnnn1C ZINC001595878469 1017103866 /nfs/dbraw/zinc/10/38/66/1017103866.db2.gz CWVPGGINVFPLPD-UWVGGRQHSA-N -1 0 323.353 -0.496 20 0 DBADRM CCCN(CC(=O)NC)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001595843292 1017103969 /nfs/dbraw/zinc/10/39/69/1017103969.db2.gz LPYGTSYDQBSUGL-JTQLQIEISA-N -1 0 313.354 -0.706 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)CNC(C)=O ZINC001595880143 1017104216 /nfs/dbraw/zinc/10/42/16/1017104216.db2.gz SWSMMQCVSDFCMD-GHMZBOCLSA-N -1 0 313.354 -0.802 20 0 DBADRM CCCN(CCO)C(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001595882133 1017104260 /nfs/dbraw/zinc/10/42/60/1017104260.db2.gz DHXXDCMYTBPQDP-AWEZNQCLSA-N -1 0 300.355 -0.069 20 0 DBADRM CCCN(CCNC(=O)c1ncn(C)n1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001595883129 1017104623 /nfs/dbraw/zinc/10/46/23/1017104623.db2.gz RISHUPPEOQYMQO-VHSXEESVSA-N -1 0 323.353 -0.496 20 0 DBADRM CCCN(CCNC(=O)c1ncn(C)n1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001595883130 1017104710 /nfs/dbraw/zinc/10/47/10/1017104710.db2.gz RISHUPPEOQYMQO-ZJUUUORDSA-N -1 0 323.353 -0.496 20 0 DBADRM CCCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1ncnn1C ZINC001595883357 1017104977 /nfs/dbraw/zinc/10/49/77/1017104977.db2.gz WZYOHRXIVFHFSZ-WDEREUQCSA-N -1 0 309.370 -0.136 20 0 DBADRM CCCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001595915184 1017106456 /nfs/dbraw/zinc/10/64/56/1017106456.db2.gz AWBGZHCWLLTKDV-MRVPVSSYSA-N -1 0 324.337 -0.307 20 0 DBADRM CCCNC(=O)CN(C)C(=O)COC(=O)C1(C(=O)[O-])CC1 ZINC001595921988 1017106667 /nfs/dbraw/zinc/10/66/67/1017106667.db2.gz NLELVLOENDYEHM-UHFFFAOYSA-N -1 0 300.311 -0.621 20 0 DBADRM CCCNC(=O)CN1CC=C(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001595921854 1017107144 /nfs/dbraw/zinc/10/71/44/1017107144.db2.gz MONSRRLNSPQGNW-OLZOCXBDSA-N -1 0 323.393 -0.018 20 0 DBADRM CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001595915368 1017107811 /nfs/dbraw/zinc/10/78/11/1017107811.db2.gz JWYFLWIJJUODGG-ZCFIWIBFSA-N -1 0 304.328 -0.699 20 0 DBADRM O=C(CNC(=O)c1ccccc1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454555576 1012035763 /nfs/dbraw/zinc/03/57/63/1012035763.db2.gz OWGVUHXFUMZWDJ-LLVKDONJSA-N -1 0 316.321 -0.470 20 0 DBADRM O=C([C@@H]1CCn2ccnc2C1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454554685 1012036375 /nfs/dbraw/zinc/03/63/75/1012036375.db2.gz QTOAGTDTOSLIKP-ZJUUUORDSA-N -1 0 303.326 -0.441 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC1(F)F ZINC001454692314 1012098321 /nfs/dbraw/zinc/09/83/21/1012098321.db2.gz CFOWLEWRWMFXJQ-RFZPGFLSSA-N -1 0 317.252 -0.828 20 0 DBADRM CS[C@@H](C)C(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001454697862 1012102125 /nfs/dbraw/zinc/10/21/25/1012102125.db2.gz LPVUQKOVAIYHPE-RQJHMYQMSA-N -1 0 317.371 -0.938 20 0 DBADRM COc1nc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)co1 ZINC001483755757 1012114053 /nfs/dbraw/zinc/11/40/53/1012114053.db2.gz ZROGTBGFUDPFPL-UHFFFAOYSA-N -1 0 308.298 -0.441 20 0 DBADRM O=C(CCN1CCCC1=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001483790756 1012140912 /nfs/dbraw/zinc/14/09/12/1012140912.db2.gz RMMUAABCPIRHBE-UHFFFAOYSA-N -1 0 322.369 -0.739 20 0 DBADRM CN(C(=O)CC[C@@H]1CCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001483859048 1012166161 /nfs/dbraw/zinc/16/61/61/1012166161.db2.gz ODIFFOQXRKVUJG-SNVBAGLBSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C(=O)C[C@](C)(O)C1CC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001483861049 1012167518 /nfs/dbraw/zinc/16/75/18/1012167518.db2.gz RHCRDSAWZXNYQP-AWEZNQCLSA-N -1 0 309.370 -0.296 20 0 DBADRM O=C(C[C@@H]1CCCS1(=O)=O)N1CCC(c2nnn[n-]2)CC1 ZINC001455022254 1012192940 /nfs/dbraw/zinc/19/29/40/1012192940.db2.gz PCLMVEHDCZDQSW-JTQLQIEISA-N -1 0 313.383 -0.127 20 0 DBADRM CN(CCNC(=O)CC1CC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001455129798 1012225763 /nfs/dbraw/zinc/22/57/63/1012225763.db2.gz RDOGTKSTCNAONI-UHFFFAOYSA-N -1 0 308.338 -0.526 20 0 DBADRM COCCN1C[C@H](C(=O)N2CC[C@@H](c3nnn[n-]3)C2)CC1=O ZINC001455129250 1012226065 /nfs/dbraw/zinc/22/60/65/1012226065.db2.gz FMPYUOVNTOWUMS-NXEZZACHSA-N -1 0 308.342 -0.990 20 0 DBADRM O=C(c1ccc(-n2ccnc2)nn1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001455135475 1012229238 /nfs/dbraw/zinc/22/92/38/1012229238.db2.gz VIBKCUNTZCVDSK-SECBINFHSA-N -1 0 311.309 -0.195 20 0 DBADRM CS(=O)(=O)c1cccnc1C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001455135852 1012233948 /nfs/dbraw/zinc/23/39/48/1012233948.db2.gz WCTJCQHVJCSJCR-QMMMGPOBSA-N -1 0 322.350 -0.372 20 0 DBADRM CN(CCNC(=O)C1=CCCC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001455199216 1012271457 /nfs/dbraw/zinc/27/14/57/1012271457.db2.gz AXNRGFSQBUNSMX-UHFFFAOYSA-N -1 0 309.326 -0.626 20 0 DBADRM C[C@]1(NC(=O)Cn2ccnc2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484072720 1012298767 /nfs/dbraw/zinc/29/87/67/1012298767.db2.gz ATIKIWPVTJWYQA-ZDUSSCGKSA-N -1 0 305.342 -0.512 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)c1cccs1 ZINC001455369230 1012364021 /nfs/dbraw/zinc/36/40/21/1012364021.db2.gz HIKKCPGFGYLUKT-UHFFFAOYSA-N -1 0 323.334 -0.154 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)Cc1ccoc1 ZINC001455391731 1012376208 /nfs/dbraw/zinc/37/62/08/1012376208.db2.gz ACEOFXVYCYMDNU-UHFFFAOYSA-N -1 0 323.309 -0.900 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCCN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001455406568 1012387007 /nfs/dbraw/zinc/38/70/07/1012387007.db2.gz LBGAQOHJYXENHM-IUCAKERBSA-N -1 0 323.353 -0.554 20 0 DBADRM O=C(Cc1ccoc1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484268291 1012492938 /nfs/dbraw/zinc/49/29/38/1012492938.db2.gz ROUGUNLMKBXYJO-UHFFFAOYSA-N -1 0 307.310 -0.991 20 0 DBADRM COC[C@@H](NC(=O)c1cccc(-n2cccn2)n1)c1nnn[n-]1 ZINC001455729134 1012493333 /nfs/dbraw/zinc/49/33/33/1012493333.db2.gz LPZRNRFEJGHEFP-SNVBAGLBSA-N -1 0 314.309 -0.102 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3cnoc3C)C2)c1[O-] ZINC001484268453 1012494802 /nfs/dbraw/zinc/49/48/02/1012494802.db2.gz VIJYGTFXNSYVBA-UHFFFAOYSA-N -1 0 321.337 -0.303 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1nnn[n-]1 ZINC001455738664 1012499428 /nfs/dbraw/zinc/49/94/28/1012499428.db2.gz QCMWJPHVNWYAEO-KCJUWKMLSA-N -1 0 305.294 -0.157 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)C1CCCCC1)c1nnn[n-]1 ZINC001455738112 1012499519 /nfs/dbraw/zinc/49/95/19/1012499519.db2.gz OEUISPJTBLEBFW-JTQLQIEISA-N -1 0 310.358 -0.300 20 0 DBADRM CC(C)(C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1)S(C)(=O)=O ZINC001455739276 1012500148 /nfs/dbraw/zinc/50/01/48/1012500148.db2.gz DRQVTYXIQGUFRT-SECBINFHSA-N -1 0 315.399 -0.196 20 0 DBADRM COC[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1nnn[n-]1 ZINC001455744073 1012500516 /nfs/dbraw/zinc/50/05/16/1012500516.db2.gz XIPBFJMAEUQRQC-VIFPVBQESA-N -1 0 318.293 -0.352 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001455745286 1012502134 /nfs/dbraw/zinc/50/21/34/1012502134.db2.gz REAJRCYDZAZMQU-SECBINFHSA-N -1 0 313.383 -0.585 20 0 DBADRM CO[C@@]1(CNC(=O)c2[nH]nc(C)c2[O-])CCS(=O)(=O)C1 ZINC001455968873 1012555482 /nfs/dbraw/zinc/55/54/82/1012555482.db2.gz ZLWSSCDRBZPTAS-LLVKDONJSA-N -1 0 303.340 -0.643 20 0 DBADRM CCC[C@H](C)C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001456248795 1012604180 /nfs/dbraw/zinc/60/41/80/1012604180.db2.gz LLEZWJXFBKOAGY-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM CC1(C(=O)N2CC(NC(=O)CCc3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001456332397 1012658772 /nfs/dbraw/zinc/65/87/72/1012658772.db2.gz KFGMPJMSTZRVJD-UHFFFAOYSA-N -1 0 321.337 -0.658 20 0 DBADRM CC(C)C(=O)N1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001456340950 1012663409 /nfs/dbraw/zinc/66/34/09/1012663409.db2.gz ZKORITUTEGMGLT-UHFFFAOYSA-N -1 0 309.326 -0.802 20 0 DBADRM COCCCC(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001484586918 1012783673 /nfs/dbraw/zinc/78/36/73/1012783673.db2.gz QSEZBSACNLGQKG-SNVBAGLBSA-N -1 0 313.358 -0.746 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c1nn(C)cc1[O-] ZINC001456779808 1012814030 /nfs/dbraw/zinc/81/40/30/1012814030.db2.gz CZJBNPUKUHTKLL-SFYZADRCSA-N -1 0 304.372 -0.369 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001456793981 1012817963 /nfs/dbraw/zinc/81/79/63/1012817963.db2.gz PIGAUZNHGTZYPE-VIFPVBQESA-N -1 0 318.399 -0.026 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)C(C)(C)F ZINC001457238651 1012856125 /nfs/dbraw/zinc/85/61/25/1012856125.db2.gz WIUMTOGIJAOYEA-ZETCQYMHSA-N -1 0 317.321 -0.694 20 0 DBADRM O=C(CC1CC1)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001484829090 1012868294 /nfs/dbraw/zinc/86/82/94/1012868294.db2.gz DJWRSNSOEVUUAZ-AWEZNQCLSA-N -1 0 309.370 -0.247 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NCc2nncn2C)c1[O-] ZINC001485138819 1013015389 /nfs/dbraw/zinc/01/53/89/1013015389.db2.gz IFWPIDNUCVFEAB-JGVFFNPUSA-N -1 0 307.358 -0.151 20 0 DBADRM O=C(c1ccc2n[nH]nc2n1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001595948616 1017110515 /nfs/dbraw/zinc/11/05/15/1017110515.db2.gz RVFJTWNGOXMCHU-MRVPVSSYSA-N -1 0 313.325 -0.039 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001596001736 1017112400 /nfs/dbraw/zinc/11/24/00/1017112400.db2.gz VVHVYSPTAPJIJX-SECBINFHSA-N -1 0 301.343 -0.179 20 0 DBADRM CCCC1N=NC(=S)N1CC(=O)NC[C@H](O)CC(=O)[O-] ZINC001596075024 1017112753 /nfs/dbraw/zinc/11/27/53/1017112753.db2.gz ZTDCWDRYFJIRKG-SSDOTTSWSA-N -1 0 302.356 -0.529 20 0 DBADRM CCCn1c(C)nnc1CNCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596108966 1017113695 /nfs/dbraw/zinc/11/36/95/1017113695.db2.gz YOEYESZUFNTCBM-WDEREUQCSA-N -1 0 309.370 -0.077 20 0 DBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001595980184 1017113853 /nfs/dbraw/zinc/11/38/53/1017113853.db2.gz RFPJDKYYJQXWHY-UWVGGRQHSA-N -1 0 322.383 -0.858 20 0 DBADRM CCN(C)C(=O)Cn1nnnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001596182855 1017116361 /nfs/dbraw/zinc/11/63/61/1017116361.db2.gz UDSPMJJIQWZEET-HZMBPMFUSA-N -1 0 322.369 -0.158 20 0 DBADRM CCN(C)S(=O)(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001596194869 1017119513 /nfs/dbraw/zinc/11/95/13/1017119513.db2.gz VJICLVYSWUZSIN-UHFFFAOYSA-N -1 0 317.371 -0.190 20 0 DBADRM CCN(CC(=O)N(C)C)C(=O)COCc1ocnc1C(=O)[O-] ZINC001596200206 1017120255 /nfs/dbraw/zinc/12/02/55/1017120255.db2.gz OPQFKBKIRTYISW-UHFFFAOYSA-N -1 0 313.310 -0.174 20 0 DBADRM CCN(CC(C)(C)O)C(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001596230276 1017120728 /nfs/dbraw/zinc/12/07/28/1017120728.db2.gz YSZFTGPQNSASKA-ZJUUUORDSA-N -1 0 316.354 -0.694 20 0 DBADRM CCN(C)S(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001596194944 1017120772 /nfs/dbraw/zinc/12/07/72/1017120772.db2.gz ZNQKQZLTLZDOFD-LBPRGKRZSA-N -1 0 321.399 -0.956 20 0 DBADRM CCN([C@@H]1CCNC1=O)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001596196558 1017120841 /nfs/dbraw/zinc/12/08/41/1017120841.db2.gz IETUXCUQODUFJR-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CCN([C@@H]1CCNC1=O)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001596197223 1017121223 /nfs/dbraw/zinc/12/12/23/1017121223.db2.gz TXNCABAYOHECRL-SNVBAGLBSA-N -1 0 313.335 -0.321 20 0 DBADRM CCN(CC)C(=O)CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596246002 1017122816 /nfs/dbraw/zinc/12/28/16/1017122816.db2.gz LKCWWPOICJCRTK-VXGBXAGGSA-N -1 0 313.398 -0.034 20 0 DBADRM CCN(CC1CCC1)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001596294430 1017123071 /nfs/dbraw/zinc/12/30/71/1017123071.db2.gz ZLZGPHLHWZZBOZ-VXGBXAGGSA-N -1 0 312.366 -0.071 20 0 DBADRM CCN(CC(OC)OC)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001596236946 1017123751 /nfs/dbraw/zinc/12/37/51/1017123751.db2.gz IBTZRGQZNLDRDN-UHFFFAOYSA-N -1 0 307.328 -0.263 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1cnnn1CC ZINC001596333386 1017128312 /nfs/dbraw/zinc/12/83/12/1017128312.db2.gz QYMCYRSSFWESAE-NEPJUHHUSA-N -1 0 309.370 -0.043 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1cn(C)nn1 ZINC001596327240 1017128846 /nfs/dbraw/zinc/12/88/46/1017128846.db2.gz VFENKHFKHQYEAU-RYUDHWBXSA-N -1 0 309.370 -0.136 20 0 DBADRM CCN(CCCNC(=O)c1ncn(C)n1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596328368 1017129195 /nfs/dbraw/zinc/12/91/95/1017129195.db2.gz QYJLDCCBBOKWAL-NXEZZACHSA-N -1 0 323.353 -0.496 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1ncnn1CC ZINC001596333393 1017129298 /nfs/dbraw/zinc/12/92/98/1017129298.db2.gz QYYLMFBENNIAQZ-WDEREUQCSA-N -1 0 309.370 -0.043 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)C(C)(C)C(N)=O ZINC001596333317 1017129431 /nfs/dbraw/zinc/12/94/31/1017129431.db2.gz PQJDYXKNQYPRPR-IUCAKERBSA-N -1 0 313.354 -0.817 20 0 DBADRM CCN(CCNC(=O)c1cncnc1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596335593 1017131077 /nfs/dbraw/zinc/13/10/77/1017131077.db2.gz SRVBXSHLLGFQOX-WDEREUQCSA-N -1 0 306.322 -0.224 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1cnn(C)c1 ZINC001596333885 1017131162 /nfs/dbraw/zinc/13/11/62/1017131162.db2.gz XGVRLKXKRBYLFX-QWRGUYRKSA-N -1 0 308.338 -0.281 20 0 DBADRM CCN(CCNc1ccnc(C(=O)[O-])n1)C(=O)[C@@H](C)CC(N)=O ZINC001596340238 1017131528 /nfs/dbraw/zinc/13/15/28/1017131528.db2.gz XQXPLJPUKXBVQQ-VIFPVBQESA-N -1 0 323.353 -0.631 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)CNC(=O)OC ZINC001596333633 1017132270 /nfs/dbraw/zinc/13/22/70/1017132270.db2.gz UKTKPSBJEHTRPG-DTWKUNHWSA-N -1 0 315.326 -0.972 20 0 DBADRM CCN(CCNCc1nnnn1C1CC1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596339815 1017132301 /nfs/dbraw/zinc/13/23/01/1017132301.db2.gz PWYWEVNJXIQIQY-WDEREUQCSA-N -1 0 322.369 -0.333 20 0 DBADRM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)c1cn[nH]n1 ZINC001596340982 1017133454 /nfs/dbraw/zinc/13/34/54/1017133454.db2.gz NELRHDPNFPMNGT-UHFFFAOYSA-N -1 0 305.298 -0.133 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)c3cc(C(=O)[O-])on3)CCN2C1=O ZINC001596390016 1017134514 /nfs/dbraw/zinc/13/45/14/1017134514.db2.gz PVVHLBGASKWNEB-QMMMGPOBSA-N -1 0 322.277 -0.519 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001596384648 1017134935 /nfs/dbraw/zinc/13/49/35/1017134935.db2.gz ZVVWEKQVMKMQKM-UHFFFAOYSA-N -1 0 305.312 -0.599 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)NC[C@H](F)C(=O)[O-])CCN2C1=O ZINC001596389107 1017135024 /nfs/dbraw/zinc/13/50/24/1017135024.db2.gz ACNUGDIANQABFQ-JGVFFNPUSA-N -1 0 316.289 -0.913 20 0 DBADRM CCN1C[C@H](N2C(=O)[C@H]3C[C@@H](C(=O)[O-])CCN3C2=O)CC1=O ZINC001596398520 1017136547 /nfs/dbraw/zinc/13/65/47/1017136547.db2.gz YLPALSRQLRZQDX-IVZWLZJFSA-N -1 0 309.322 -0.265 20 0 DBADRM CCN1C(=O)CO[C@H](C(=O)OCC(=O)[O-])[C@H]1c1ccnn1C ZINC001596393066 1017136999 /nfs/dbraw/zinc/13/69/99/1017136999.db2.gz ULXDHJKQFAHICP-NEPJUHHUSA-N -1 0 311.294 -0.664 20 0 DBADRM CCN1C[C@H](NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CC1=O ZINC001596397502 1017137397 /nfs/dbraw/zinc/13/73/97/1017137397.db2.gz JHINIHZNHZWDJZ-ZYHUDNBSSA-N -1 0 313.354 -0.526 20 0 DBADRM C[C@@H](CO[N-]C(=O)C1CS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC001596400603 1017137320 /nfs/dbraw/zinc/13/73/20/1017137320.db2.gz BJQZPYKGJVEFTG-QMMMGPOBSA-N -1 0 322.383 -0.008 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1=O ZINC001596402392 1017137331 /nfs/dbraw/zinc/13/73/31/1017137331.db2.gz MQAJJRVESAXGST-REIXXSIJSA-N -1 0 302.352 -0.801 20 0 DBADRM CCN1CC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001596415885 1017139157 /nfs/dbraw/zinc/13/91/57/1017139157.db2.gz WZFSTBSMYHGGSL-VHSXEESVSA-N -1 0 304.368 -0.819 20 0 DBADRM CCN1CC[C@H](n2nnnc2N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1=O ZINC001596415820 1017139399 /nfs/dbraw/zinc/13/93/99/1017139399.db2.gz VAQOGSHPIJZZGW-QCLAVDOMSA-N -1 0 306.326 -0.767 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CCC[C@](C)(C(=O)[O-])C2)CC1 ZINC001596427651 1017143404 /nfs/dbraw/zinc/14/34/04/1017143404.db2.gz LBABXMXBHINBEJ-HNNXBMFYSA-N -1 0 311.382 -0.136 20 0 DBADRM CCN1CCCN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1=O ZINC001596425745 1017143730 /nfs/dbraw/zinc/14/37/30/1017143730.db2.gz XHOGVSBQARJKMV-NSHDSACASA-N -1 0 323.349 -0.643 20 0 DBADRM CCN1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)[C@H](C)C1 ZINC001596439138 1017145690 /nfs/dbraw/zinc/14/56/90/1017145690.db2.gz XVWWJAGDYJJKQM-SNVBAGLBSA-N -1 0 316.383 -0.318 20 0 DBADRM CCN1CCO[C@@H](C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001596442921 1017146736 /nfs/dbraw/zinc/14/67/36/1017146736.db2.gz WOLOVTMIARIQQE-VXGBXAGGSA-N -1 0 300.355 -0.609 20 0 DBADRM CCNC(=O)CCC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001596457187 1017149051 /nfs/dbraw/zinc/14/90/51/1017149051.db2.gz QFWFLFFYEPPASF-BDAKNGLRSA-N -1 0 300.311 -0.765 20 0 DBADRM CCNC(=O)CC(=O)N(C)C[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001596456328 1017149145 /nfs/dbraw/zinc/14/91/45/1017149145.db2.gz KUTNTLNLOXQFGU-SECBINFHSA-N -1 0 323.353 -0.040 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001596451581 1017149576 /nfs/dbraw/zinc/14/95/76/1017149576.db2.gz HVNXQAGBZYOVIL-SSDOTTSWSA-N -1 0 308.294 -0.641 20 0 DBADRM CCNC(=O)C1CN(C(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001596456292 1017149586 /nfs/dbraw/zinc/14/95/86/1017149586.db2.gz JPVQWVUAGHXGNY-UHFFFAOYSA-N -1 0 311.294 -0.516 20 0 DBADRM CCNC(=O)CCCC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001596457220 1017149644 /nfs/dbraw/zinc/14/96/44/1017149644.db2.gz RQSYEZZNYYWHCO-CYBMUJFWSA-N -1 0 300.355 -0.023 20 0 DBADRM CCNC(=O)CC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001596456333 1017149999 /nfs/dbraw/zinc/14/99/99/1017149999.db2.gz KZGGRFDLZYIGIM-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM CCNC(=O)[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C(C)C ZINC001596477648 1017151143 /nfs/dbraw/zinc/15/11/43/1017151143.db2.gz HMIVMZHAPATBTP-QMMMGPOBSA-N -1 0 318.355 -0.453 20 0 DBADRM CCNC(=O)NCCNC(=O)COCc1ocnc1C(=O)[O-] ZINC001596470898 1017151290 /nfs/dbraw/zinc/15/12/90/1017151290.db2.gz NZNADJKRBYISBJ-UHFFFAOYSA-N -1 0 314.298 -0.675 20 0 DBADRM CCNC(=O)CN1CCN(C[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1 ZINC001596462410 1017151516 /nfs/dbraw/zinc/15/15/16/1017151516.db2.gz ZPJZQLWDERQTFH-ONGXEEELSA-N -1 0 305.325 -0.294 20 0 DBADRM CCNC(=O)c1cccc(NC(=O)CN[C@@](C)(CO)C(=O)[O-])c1 ZINC001596485490 1017152182 /nfs/dbraw/zinc/15/21/82/1017152182.db2.gz DMKQKPFZXFHQIA-HNNXBMFYSA-N -1 0 323.349 -0.200 20 0 DBADRM CCNc1ncc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])s1 ZINC001596507853 1017154305 /nfs/dbraw/zinc/15/43/05/1017154305.db2.gz TVUQIJCEKXFKPM-ZETCQYMHSA-N -1 0 312.351 -0.010 20 0 DBADRM CCOC(=O)[C@@H](CC)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001596526346 1017154427 /nfs/dbraw/zinc/15/44/27/1017154427.db2.gz SRWKQUBAJWOCLG-DTWKUNHWSA-N -1 0 300.311 -0.671 20 0 DBADRM CCOC(=O)[C@@](C)(O)CNC(=O)Nc1cc(C(=O)[O-])nn1C ZINC001596516052 1017155460 /nfs/dbraw/zinc/15/54/60/1017155460.db2.gz JWUQGIKIAXHJPF-LBPRGKRZSA-N -1 0 314.298 -0.446 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(c2cnc(C(=O)[O-])cn2)C1 ZINC001596495821 1017155486 /nfs/dbraw/zinc/15/54/86/1017155486.db2.gz JZANAOPHXZZSCO-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM CCOC(=O)C1(C(=O)OCC(=O)NCC(=O)[O-])CCOCC1 ZINC001596543856 1017157481 /nfs/dbraw/zinc/15/74/81/1017157481.db2.gz XZBFNGHRTDBZOY-UHFFFAOYSA-N -1 0 317.294 -0.910 20 0 DBADRM CCOC(=O)C1(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)CC1 ZINC001596542366 1017157942 /nfs/dbraw/zinc/15/79/42/1017157942.db2.gz ATLUKMKBPRZLMR-RKDXNWHRSA-N -1 0 313.306 -0.338 20 0 DBADRM CCOC(=O)C1(C(=O)NC[C@H](O)CC(=O)[O-])CCOCC1 ZINC001596543426 1017158666 /nfs/dbraw/zinc/15/86/66/1017158666.db2.gz JHRZYTLPOLTGOP-SECBINFHSA-N -1 0 303.311 -0.702 20 0 DBADRM CCOC(=O)C12CC(C1)CN2C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001596563653 1017159794 /nfs/dbraw/zinc/15/97/94/1017159794.db2.gz XTYWBBUQBXWTQO-UHFFFAOYSA-N -1 0 308.294 -0.470 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCO1 ZINC001596585346 1017159877 /nfs/dbraw/zinc/15/98/77/1017159877.db2.gz MVHWZIIGZMIMQM-UTLUCORTSA-N -1 0 301.295 -0.591 20 0 DBADRM CCOC(=O)C[C@@H](CO)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001596592347 1017160467 /nfs/dbraw/zinc/16/04/67/1017160467.db2.gz GQKFRPAZLIEUFQ-PKIKSRDPSA-N -1 0 303.311 -0.705 20 0 DBADRM CCOC(=O)CC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001596587024 1017160975 /nfs/dbraw/zinc/16/09/75/1017160975.db2.gz OQILUTSOFYYHDI-MRVPVSSYSA-N -1 0 307.324 -0.960 20 0 DBADRM CCOC(=O)[C@@H]1CSCCN1Cc1cn(CC(=O)[O-])nn1 ZINC001596583098 1017160867 /nfs/dbraw/zinc/16/08/67/1017160867.db2.gz JRLUQZPWLBGWSO-JTQLQIEISA-N -1 0 314.367 -0.157 20 0 DBADRM CCOC(=O)/C=C\CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001596583959 1017161256 /nfs/dbraw/zinc/16/12/56/1017161256.db2.gz QQFUPOUPRPQCGU-UMBAGQNISA-N -1 0 305.352 -0.321 20 0 DBADRM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@@H](CC)C(=O)[O-])C1 ZINC001596642459 1017166134 /nfs/dbraw/zinc/16/61/34/1017166134.db2.gz BKBWACNHKTWSLP-OPRDCNLKSA-N -1 0 302.327 -0.337 20 0 DBADRM CCOC(=O)c1nc([C@H](C)NC(=O)COCC(=O)[O-])n[n-]1 ZINC001596749720 1017167238 /nfs/dbraw/zinc/16/72/38/1017167238.db2.gz ZVTHHMOHJZARKX-LURJTMIESA-N -1 0 300.271 -0.740 20 0 DBADRM CCOC(=O)NCCCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001596662868 1017168825 /nfs/dbraw/zinc/16/88/25/1017168825.db2.gz LEPURJBWFQHYJH-SECBINFHSA-N -1 0 315.326 -0.686 20 0 DBADRM CCOCC(=O)NC[C@@H]1COCCN1c1ccnc(C(=O)[O-])n1 ZINC001596861476 1017172737 /nfs/dbraw/zinc/17/27/37/1017172737.db2.gz NYCHMGYZNKPABN-SNVBAGLBSA-N -1 0 324.337 -0.467 20 0 DBADRM CCO[C@@H]1C[C@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001596847037 1017173132 /nfs/dbraw/zinc/17/31/32/1017173132.db2.gz OLPUGNWIMZSHOG-KZFFXBSXSA-N -1 0 305.352 -0.585 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001596859455 1017174011 /nfs/dbraw/zinc/17/40/11/1017174011.db2.gz CFLJBCVJKAJGRH-VHSXEESVSA-N -1 0 310.372 -0.579 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001596944111 1017180710 /nfs/dbraw/zinc/18/07/10/1017180710.db2.gz HQTTXUNIVKCENR-JTQLQIEISA-N -1 0 320.367 -0.768 20 0 DBADRM CCOC[C@H]1CCCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001596893189 1017178000 /nfs/dbraw/zinc/17/80/00/1017178000.db2.gz YORAKNXEQZPQDB-UWVGGRQHSA-N -1 0 304.318 -0.200 20 0 DBADRM CCOCCNC(=O)CN1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001596929363 1017178063 /nfs/dbraw/zinc/17/80/63/1017178063.db2.gz CDVVQSVEQVMISA-GHMZBOCLSA-N -1 0 316.354 -0.523 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001596887189 1017178375 /nfs/dbraw/zinc/17/83/75/1017178375.db2.gz ZQPYBPBJMOIVNP-LPEHRKFASA-N -1 0 303.311 -0.345 20 0 DBADRM CCOCCOCCNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001596938040 1017181596 /nfs/dbraw/zinc/18/15/96/1017181596.db2.gz OBXHFIUSWAIABX-MNOVXSKESA-N -1 0 304.343 -0.077 20 0 DBADRM CCOCCCNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001596917646 1017178848 /nfs/dbraw/zinc/17/88/48/1017178848.db2.gz ZJRNHXGCODZLRV-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM CCOCCN1CC(CCO)(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001596929220 1017179321 /nfs/dbraw/zinc/17/93/21/1017179321.db2.gz SUWMIFKKKJUFQT-WDEREUQCSA-N -1 0 300.355 -0.703 20 0 DBADRM CCOCc1nc([C@@H](C)NC(=O)N2CC(O)(C(=O)[O-])C2)no1 ZINC001596950306 1017180379 /nfs/dbraw/zinc/18/03/79/1017180379.db2.gz DDSIQRKAILGPIS-SSDOTTSWSA-N -1 0 314.298 -0.492 20 0 DBADRM CCOCCOCC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001596935717 1017180636 /nfs/dbraw/zinc/18/06/36/1017180636.db2.gz SVGABQRLJJKERI-WDEREUQCSA-N -1 0 317.338 -0.096 20 0 DBADRM CCOCCOC[C@@H](O)CNC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001596934093 1017181915 /nfs/dbraw/zinc/18/19/15/1017181915.db2.gz HCIJQXSVZFLNSC-RYUDHWBXSA-N -1 0 316.354 -0.127 20 0 DBADRM CCON(CC)C(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001596963514 1017183305 /nfs/dbraw/zinc/18/33/05/1017183305.db2.gz MSFGRPXESFSFON-CYBMUJFWSA-N -1 0 313.310 -0.382 20 0 DBADRM CCOc1cc(C(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])[nH]n1 ZINC001597005281 1017183803 /nfs/dbraw/zinc/18/38/03/1017183803.db2.gz CLCRCVHSANUKSR-JGVFFNPUSA-N -1 0 310.310 -0.625 20 0 DBADRM CCO[C@@H]1COC[C@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001596980696 1017184220 /nfs/dbraw/zinc/18/42/20/1017184220.db2.gz MCZQFKYKBFAWTK-NXEZZACHSA-N -1 0 319.339 -0.950 20 0 DBADRM CCOc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])[nH]n1 ZINC001596997776 1017184622 /nfs/dbraw/zinc/18/46/22/1017184622.db2.gz HLFPKHKCRLCGOV-VIFPVBQESA-N -1 0 310.310 -0.386 20 0 DBADRM CCOc1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)on1 ZINC001597005394 1017184737 /nfs/dbraw/zinc/18/47/37/1017184737.db2.gz RVQKPQCINNIMSM-DTWKUNHWSA-N -1 0 323.305 -0.265 20 0 DBADRM CCON(C)C(=O)CN1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001596963032 1017184763 /nfs/dbraw/zinc/18/47/63/1017184763.db2.gz CXDGJONUJLENAM-IUCAKERBSA-N -1 0 313.310 -0.476 20 0 DBADRM CCO[C@@H]1COC[C@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001596980588 1017184845 /nfs/dbraw/zinc/18/48/45/1017184845.db2.gz IRBNXAQKYKOWGT-NXEZZACHSA-N -1 0 304.324 -0.205 20 0 DBADRM CCOc1cnc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cn1 ZINC001597185595 1017186414 /nfs/dbraw/zinc/18/64/14/1017186414.db2.gz BPJBSLUSXWYPOD-VIFPVBQESA-N -1 0 308.294 -0.709 20 0 DBADRM CCOc1ccncc1S(=O)(=O)NC[C@@H](O)CC(=O)[O-] ZINC001597186169 1017186437 /nfs/dbraw/zinc/18/64/37/1017186437.db2.gz JVWRNAZEYHVNGB-QMMMGPOBSA-N -1 0 304.324 -0.406 20 0 DBADRM CC[S@](=O)CCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001597248760 1017192733 /nfs/dbraw/zinc/19/27/33/1017192733.db2.gz CABPQPSKWAHLJQ-YBYGRFCBSA-N -1 0 304.368 -0.806 20 0 DBADRM CCOc1cccc(CC(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])n1 ZINC001597150520 1017186930 /nfs/dbraw/zinc/18/69/30/1017186930.db2.gz SYCXNYPIWGNCQJ-NSHDSACASA-N -1 0 321.333 -0.223 20 0 DBADRM CCOc1ccc(OC[C@@H](O)CN2CC(O)(C(=O)[O-])C2)cc1 ZINC001597130319 1017187343 /nfs/dbraw/zinc/18/73/43/1017187343.db2.gz KGDOSKMHJURALI-NSHDSACASA-N -1 0 311.334 -0.044 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1 ZINC001597204402 1017188401 /nfs/dbraw/zinc/18/84/01/1017188401.db2.gz VMHCTLBXFZBRQO-VIFPVBQESA-N -1 0 302.352 -0.012 20 0 DBADRM CCS(=O)(=O)CCN1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001597209829 1017188464 /nfs/dbraw/zinc/18/84/64/1017188464.db2.gz OHHGBCOWMBKDSP-UWVGGRQHSA-N -1 0 307.368 -0.241 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N1C(=O)N[C@H](CCC(=O)[O-])C1=O ZINC001597210064 1017188541 /nfs/dbraw/zinc/18/85/41/1017188541.db2.gz MQSWWIWBBJELSG-JGVFFNPUSA-N -1 0 306.340 -0.405 20 0 DBADRM CCS(=O)(=O)C1CN(c2ncnc(C(=O)[O-])c2OC)C1 ZINC001597207326 1017188943 /nfs/dbraw/zinc/18/89/43/1017188943.db2.gz BOZKMWXIQLLHBD-UHFFFAOYSA-N -1 0 301.324 -0.193 20 0 DBADRM CCOc1n[nH]c(NC(=O)Cn2cccc(C(=O)[O-])c2=O)n1 ZINC001597193539 1017189354 /nfs/dbraw/zinc/18/93/54/1017189354.db2.gz FGYQVKSPKKSXCA-UHFFFAOYSA-N -1 0 307.266 -0.298 20 0 DBADRM CC[S@@](=O)CCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001597250273 1017195499 /nfs/dbraw/zinc/19/54/99/1017195499.db2.gz QAQCSMUVQSTVMS-MPBGBICISA-N -1 0 304.368 -0.806 20 0 DBADRM CC[S@](=O)CCNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001597250667 1017196087 /nfs/dbraw/zinc/19/60/87/1017196087.db2.gz UTZDNZGTDOGVAK-GTJPDFRWSA-N -1 0 317.367 -0.230 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)C(N)=O ZINC001597292119 1017196885 /nfs/dbraw/zinc/19/68/85/1017196885.db2.gz UNNAIBHILBOABS-SNVBAGLBSA-N -1 0 318.326 -0.005 20 0 DBADRM CCc1cc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cc(=O)[nH]1 ZINC001597426742 1017198439 /nfs/dbraw/zinc/19/84/39/1017198439.db2.gz LKLYHTYTASZNNP-SNVBAGLBSA-N -1 0 307.306 -0.283 20 0 DBADRM CCc1cc(CC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])n(C)n1 ZINC001597471457 1017198640 /nfs/dbraw/zinc/19/86/40/1017198640.db2.gz MOLOEWPJVDHZPC-LBPRGKRZSA-N -1 0 322.365 -0.283 20 0 DBADRM CCc1cc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])cc(=O)[nH]1 ZINC001597426737 1017199059 /nfs/dbraw/zinc/19/90/59/1017199059.db2.gz LKLYHTYTASZNNP-JTQLQIEISA-N -1 0 307.306 -0.283 20 0 DBADRM CN1C[C@H](NC(=O)CSc2n[n-]c(=S)s2)C(=O)N1 ZINC001597619401 1017200428 /nfs/dbraw/zinc/20/04/28/1017200428.db2.gz NVWFRAJQXYEFRO-BYPYZUCNSA-N -1 0 305.410 -0.620 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)no1 ZINC001597477708 1017200890 /nfs/dbraw/zinc/20/08/90/1017200890.db2.gz LRJPWNOPIWDCFB-ZDUSSCGKSA-N -1 0 311.294 -0.122 20 0 DBADRM CCc1c[nH]c(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)n1 ZINC001597626074 1017201194 /nfs/dbraw/zinc/20/11/94/1017201194.db2.gz JHAVYHRZPYNUEV-NXEZZACHSA-N -1 0 309.322 -0.153 20 0 DBADRM CCc1ccncc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001597622928 1017201253 /nfs/dbraw/zinc/20/12/53/1017201253.db2.gz GDBZWXNWDRPDCT-NSHDSACASA-N -1 0 307.306 -0.106 20 0 DBADRM CCc1ccc(CCNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001597523409 1017201302 /nfs/dbraw/zinc/20/13/02/1017201302.db2.gz SGIAXTRMTOJNAW-UHFFFAOYSA-N -1 0 320.345 -0.434 20 0 DBADRM CCc1nnc(CNC2(CC(=O)[O-])CCS(=O)(=O)CC2)[nH]1 ZINC001597670308 1017203938 /nfs/dbraw/zinc/20/39/38/1017203938.db2.gz WZVIAXMPGBYSJM-UHFFFAOYSA-N -1 0 316.383 -0.121 20 0 DBADRM CCc1nc[nH]c1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001597697815 1017203968 /nfs/dbraw/zinc/20/39/68/1017203968.db2.gz NFRJPLUXAVJHBH-NXEZZACHSA-N -1 0 320.349 -0.023 20 0 DBADRM CCc1nc(CN2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)no1 ZINC001597666938 1017204110 /nfs/dbraw/zinc/20/41/10/1017204110.db2.gz FJTBGFNWCQDGPH-ZJUUUORDSA-N -1 0 308.338 -0.099 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCCN(C)CCO ZINC001597784644 1017205586 /nfs/dbraw/zinc/20/55/86/1017205586.db2.gz XRBIJLXSBXFGFI-UHFFFAOYSA-N -1 0 320.367 -0.257 20 0 DBADRM CCc1nncn1CCNC(=O)COCc1ocnc1C(=O)[O-] ZINC001597736419 1017205903 /nfs/dbraw/zinc/20/59/03/1017205903.db2.gz VXDMGEQPJDWIPO-UHFFFAOYSA-N -1 0 323.309 -0.140 20 0 DBADRM CCc1noc(NC(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)n1 ZINC001597750771 1017206444 /nfs/dbraw/zinc/20/64/44/1017206444.db2.gz JRPFOZGKGGCOES-RQJHMYQMSA-N -1 0 312.282 -0.031 20 0 DBADRM CCn1c(-c2cn(C)nn2)nnc1N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001597826871 1017207758 /nfs/dbraw/zinc/20/77/58/1017207758.db2.gz IIZLKEDXCORDMU-ZDUSSCGKSA-N -1 0 321.341 -0.227 20 0 DBADRM CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001597836182 1017208706 /nfs/dbraw/zinc/20/87/06/1017208706.db2.gz JFRCBISAVOSUIF-SECBINFHSA-N -1 0 311.342 -0.274 20 0 DBADRM CCc1ocnc1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597811192 1017209470 /nfs/dbraw/zinc/20/94/70/1017209470.db2.gz ZQICAVGQCIFYLN-RKDXNWHRSA-N -1 0 307.306 -0.102 20 0 DBADRM CCn1cc(Br)c(C(=O)N[C@@H](CO)C(=O)[O-])n1 ZINC001597870196 1017209613 /nfs/dbraw/zinc/20/96/13/1017209613.db2.gz PJWLTJXONCVSGI-LURJTMIESA-N -1 0 306.116 -0.159 20 0 DBADRM CCn1c(N)c(C(=O)CN2CCC[C@@]2(C)C(=O)[O-])c(=O)[nH]c1=O ZINC001597859106 1017209635 /nfs/dbraw/zinc/20/96/35/1017209635.db2.gz OBAKDJVUFYUBMS-AWEZNQCLSA-N -1 0 324.337 -0.327 20 0 DBADRM CCn1cc(CNC/C=C/CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nn1 ZINC001597890705 1017210766 /nfs/dbraw/zinc/21/07/66/1017210766.db2.gz OWTYQWBMHNUFSK-BLDJZWNYSA-N -1 0 307.354 -0.219 20 0 DBADRM CCn1cc(CNS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])nn1 ZINC001597891017 1017210805 /nfs/dbraw/zinc/21/08/05/1017210805.db2.gz VFAJRWJFEGKRIT-UHFFFAOYSA-N -1 0 314.327 -0.494 20 0 DBADRM CCn1cc(CC(=O)NCCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])nn1 ZINC001597884141 1017210921 /nfs/dbraw/zinc/21/09/21/1017210921.db2.gz BEUGDHDEWJXOMM-WDEREUQCSA-N -1 0 323.353 -0.816 20 0 DBADRM CCn1cc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nn1 ZINC001597876999 1017211010 /nfs/dbraw/zinc/21/10/10/1017211010.db2.gz NAJBTINNMUEJGY-HIHHVFROSA-N -1 0 321.337 -0.579 20 0 DBADRM CCn1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(C)n1 ZINC001597875277 1017211227 /nfs/dbraw/zinc/21/12/27/1017211227.db2.gz HGFSIKMTTLEKBA-JTQLQIEISA-N -1 0 315.351 -0.465 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)nn1 ZINC001597887582 1017211633 /nfs/dbraw/zinc/21/16/33/1017211633.db2.gz OYIPPLDDOQLOCV-WPRPVWTQSA-N -1 0 309.326 -0.764 20 0 DBADRM CCn1cc(CC(=O)NCCNc2ccnc(C(=O)[O-])n2)cn1 ZINC001597884178 1017211723 /nfs/dbraw/zinc/21/17/23/1017211723.db2.gz CQOSYNFLHIECRY-UHFFFAOYSA-N -1 0 318.337 -0.416 20 0 DBADRM CCn1cc(CC(=O)N(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])nn1 ZINC001597881347 1017211900 /nfs/dbraw/zinc/21/19/00/1017211900.db2.gz XJLJHZWVNQVBDB-WDEREUQCSA-N -1 0 323.353 -0.864 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cn1 ZINC001597895421 1017212308 /nfs/dbraw/zinc/21/23/08/1017212308.db2.gz KZOBKKAVCQMXKG-SCZZXKLOSA-N -1 0 310.310 -0.458 20 0 DBADRM CCn1cc(CC(=O)N(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001597881344 1017212539 /nfs/dbraw/zinc/21/25/39/1017212539.db2.gz XJLJHZWVNQVBDB-MNOVXSKESA-N -1 0 323.353 -0.864 20 0 DBADRM CCn1cnc(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001597916192 1017213663 /nfs/dbraw/zinc/21/36/63/1017213663.db2.gz GVSJZOJHJXSSQY-WDEREUQCSA-N -1 0 320.349 -0.094 20 0 DBADRM CCn1ccnc1C(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597915030 1017214073 /nfs/dbraw/zinc/21/40/73/1017214073.db2.gz OIHMEVZFPORDNR-ZJUUUORDSA-N -1 0 306.322 -0.436 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)[N-]OCC(N)=O ZINC001597916728 1017214421 /nfs/dbraw/zinc/21/44/21/1017214421.db2.gz CBJYNDCLKNAASF-ONGXEEELSA-N -1 0 300.359 -0.260 20 0 DBADRM CCn1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001597902435 1017214461 /nfs/dbraw/zinc/21/44/61/1017214461.db2.gz MAZDGWKYTBSTOF-MNOVXSKESA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1cccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1=O ZINC001597911791 1017214543 /nfs/dbraw/zinc/21/45/43/1017214543.db2.gz PJRGCBYMFIIGTR-LLVKDONJSA-N -1 0 321.333 -0.583 20 0 DBADRM CCn1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c1=O ZINC001597911476 1017214571 /nfs/dbraw/zinc/21/45/71/1017214571.db2.gz MBMCAVPBDAXRFL-SNVBAGLBSA-N -1 0 307.306 -0.118 20 0 DBADRM CCn1cccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)c1=O ZINC001597911520 1017214663 /nfs/dbraw/zinc/21/46/63/1017214663.db2.gz NKLZKYFUELLZHG-UHFFFAOYSA-N -1 0 305.294 -0.526 20 0 DBADRM CCn1ccnc1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001597910917 1017214908 /nfs/dbraw/zinc/21/49/08/1017214908.db2.gz KTLAFBRPNMAGEP-QWRGUYRKSA-N -1 0 320.349 -0.092 20 0 DBADRM CCn1ccc(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)n1 ZINC001597902242 1017214955 /nfs/dbraw/zinc/21/49/55/1017214955.db2.gz HTSMQFJHFDJPNX-JOYOIKCWSA-N -1 0 315.351 -0.479 20 0 DBADRM CCn1nc(C)c(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001597934074 1017215958 /nfs/dbraw/zinc/21/59/58/1017215958.db2.gz ZEEVFVMPQOWJBC-JTQLQIEISA-N -1 0 302.356 -0.710 20 0 DBADRM CCn1nc(C)c(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])c1C ZINC001597938976 1017216183 /nfs/dbraw/zinc/21/61/83/1017216183.db2.gz GGIZIHHTXJOWEZ-VIFPVBQESA-N -1 0 312.326 -0.590 20 0 DBADRM CCn1nc(C)c(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1 ZINC001597933336 1017216203 /nfs/dbraw/zinc/21/62/03/1017216203.db2.gz HNTPTAQEUABFTF-SNVBAGLBSA-N -1 0 323.353 -0.454 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1 ZINC001597922647 1017216262 /nfs/dbraw/zinc/21/62/62/1017216262.db2.gz AIRZDYHASYWJOA-SNVBAGLBSA-N -1 0 313.339 -0.259 20 0 DBADRM CCn1cnc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)c1 ZINC001597917071 1017216377 /nfs/dbraw/zinc/21/63/77/1017216377.db2.gz UNFSPJIBWYLMTD-UHFFFAOYSA-N -1 0 315.351 -0.335 20 0 DBADRM CCn1nc(C)c(CNS(=O)(=O)c2cc(C(=O)[O-])no2)n1 ZINC001597937898 1017217294 /nfs/dbraw/zinc/21/72/94/1017217294.db2.gz AWSVAIGUIRYEOD-UHFFFAOYSA-N -1 0 315.311 -0.229 20 0 DBADRM CCn1nc(C)c(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001597928842 1017217493 /nfs/dbraw/zinc/21/74/93/1017217493.db2.gz XMUGTFDJIVTPGU-VHSXEESVSA-N -1 0 321.337 -0.732 20 0 DBADRM CCn1nccc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001597962905 1017218299 /nfs/dbraw/zinc/21/82/99/1017218299.db2.gz QAEVTFBBFHHOSV-GHMZBOCLSA-N -1 0 320.349 -0.092 20 0 DBADRM CCn1ncc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001597957294 1017218970 /nfs/dbraw/zinc/21/89/70/1017218970.db2.gz PZWSYRSQNZYJQU-VXGBXAGGSA-N -1 0 309.370 -0.043 20 0 DBADRM CCn1ncc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)OC)n1 ZINC001597951138 1017219218 /nfs/dbraw/zinc/21/92/18/1017219218.db2.gz XZJVZRJROBQJQQ-WCBMZHEXSA-N -1 0 310.310 -0.224 20 0 DBADRM CCn1nccc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597962466 1017219455 /nfs/dbraw/zinc/21/94/55/1017219455.db2.gz JJSSBOJVUWRUSX-GHMZBOCLSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1ncnc1CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001597969632 1017221571 /nfs/dbraw/zinc/22/15/71/1017221571.db2.gz QPPDEKVQEFRGFH-UHFFFAOYSA-N -1 0 311.323 -0.130 20 0 DBADRM CCn1nnc(C)c1COC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001597973997 1017221742 /nfs/dbraw/zinc/22/17/42/1017221742.db2.gz KYTGYVWIMHBJHU-SNVBAGLBSA-N -1 0 324.337 -0.027 20 0 DBADRM CCn1nncc1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597973628 1017222139 /nfs/dbraw/zinc/22/21/39/1017222139.db2.gz CJCSFNYNQVWVKJ-UWVGGRQHSA-N -1 0 321.337 -0.699 20 0 DBADRM CCn1ncnc1CNS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001597969647 1017222394 /nfs/dbraw/zinc/22/23/94/1017222394.db2.gz RTUNGUZVBTYONX-UHFFFAOYSA-N -1 0 301.284 -0.537 20 0 DBADRM CCn1nncc1CN(C)CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001597976631 1017222776 /nfs/dbraw/zinc/22/27/76/1017222776.db2.gz ZGYZBPPVRKEWDK-NEPJUHHUSA-N -1 0 309.370 -0.091 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@@H](O)[C@H](F)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597982455 1017224298 /nfs/dbraw/zinc/22/42/98/1017224298.db2.gz LJMAEHXGTNDIAJ-UTINFBMNSA-N -1 0 302.302 -0.761 20 0 DBADRM CN(C(=O)C(=O)N1CCC(C(N)=O)CC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597982763 1017224699 /nfs/dbraw/zinc/22/46/99/1017224699.db2.gz SJWJICUHPDZWDQ-AOOOYVTPSA-N -1 0 311.338 -0.968 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@H](n2cncn2)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597983534 1017224890 /nfs/dbraw/zinc/22/48/90/1017224890.db2.gz VZQIGWUXOUMQIR-GARJFASQSA-N -1 0 321.337 -0.627 20 0 DBADRM CN(C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-])C1CCOCC1 ZINC001598041909 1017230476 /nfs/dbraw/zinc/23/04/76/1017230476.db2.gz GILRBLVUQRHPSA-LLVKDONJSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(C)C(=O)Cn1nnnc1N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001598135736 1017238101 /nfs/dbraw/zinc/23/81/01/1017238101.db2.gz YNHSJAZBTPDVHK-UHFFFAOYSA-N -1 0 316.321 -0.020 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN1CCOC[C@@H]1CC(=O)[O-] ZINC001598282967 1017255744 /nfs/dbraw/zinc/25/57/44/1017255744.db2.gz QUHDKALRHPPIOW-GWNMQOMSSA-N -1 0 307.372 -0.737 20 0 DBADRM CN(C)c1ccc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cn1 ZINC001598312723 1017255884 /nfs/dbraw/zinc/25/58/84/1017255884.db2.gz OGZPWYVHASYLKA-GHMZBOCLSA-N -1 0 320.349 -0.286 20 0 DBADRM CN(C[C@@H]1CCC[C@H]1O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001598454619 1017269302 /nfs/dbraw/zinc/26/93/02/1017269302.db2.gz FWEXCHDEIYTRAR-WDEREUQCSA-N -1 0 315.370 -0.230 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)CC1(O)CCC1 ZINC001598479347 1017273842 /nfs/dbraw/zinc/27/38/42/1017273842.db2.gz HZQBVDBGIHNZAL-GHMZBOCLSA-N -1 0 312.366 -0.023 20 0 DBADRM CN(CCCNC(=O)[C@@H]1COC(=O)N1)c1ccnc(C(=O)[O-])n1 ZINC001598478597 1017273932 /nfs/dbraw/zinc/27/39/32/1017273932.db2.gz CEUSLFIKFCNOEZ-QMMMGPOBSA-N -1 0 323.309 -0.774 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H]1CCCNC1=O ZINC001598495704 1017289923 /nfs/dbraw/zinc/28/99/23/1017289923.db2.gz MJWDJRDVZDFKLN-JTQLQIEISA-N -1 0 321.337 -0.429 20 0 DBADRM CN(CCOCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1ccc[nH]1 ZINC001598498435 1017292256 /nfs/dbraw/zinc/29/22/56/1017292256.db2.gz XNHQNTZBLODAFF-MNOVXSKESA-N -1 0 323.349 -0.060 20 0 DBADRM CN(CCOCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ncccn1 ZINC001598497814 1017292741 /nfs/dbraw/zinc/29/27/41/1017292741.db2.gz LDKVRIZFEHMBHX-MNOVXSKESA-N -1 0 308.338 -0.234 20 0 DBADRM CN(Cc1cc[nH]n1)CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001598508905 1017292768 /nfs/dbraw/zinc/29/27/68/1017292768.db2.gz LCXMXOQLUQZJQG-CYBMUJFWSA-N -1 0 309.326 -0.026 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)C[C@@H]2CSCCS2)CC1=O ZINC001598563376 1017306301 /nfs/dbraw/zinc/30/63/01/1017306301.db2.gz QDGOGBFEMNXWKR-BDAKNGLRSA-N -1 0 318.420 -0.021 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cc3n(n2)CCCO3)CC1=O ZINC001598563401 1017305344 /nfs/dbraw/zinc/30/53/44/1017305344.db2.gz RXKUACOZZBIDSS-SECBINFHSA-N -1 0 308.294 -0.967 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cnn3c2CCCC3)CC1=O ZINC001598562994 1017305452 /nfs/dbraw/zinc/30/54/52/1017305452.db2.gz IBRYFJWDYMZDDZ-LLVKDONJSA-N -1 0 306.322 -0.413 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@H]2COc3ccccc3O2)CC1=O ZINC001598563095 1017305830 /nfs/dbraw/zinc/30/58/30/1017305830.db2.gz NVMWVTOGUQHDPI-JOYOIKCWSA-N -1 0 320.301 -0.420 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cccc3cn[nH]c32)CC1=O ZINC001598562538 1017306206 /nfs/dbraw/zinc/30/62/06/1017306206.db2.gz KXXDGFRGVAEQAR-SNVBAGLBSA-N -1 0 302.290 -0.070 20 0 DBADRM Cn1nnc2cc(C(=O)N3CC(=O)N(C)C[C@@H]3C(=O)[O-])ccc21 ZINC001598562419 1017306323 /nfs/dbraw/zinc/30/63/23/1017306323.db2.gz KDJMUYFXRUTLQC-LLVKDONJSA-N -1 0 317.305 -0.664 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ncc3c(F)cccn32)CC1=O ZINC001598563848 1017307554 /nfs/dbraw/zinc/30/75/54/1017307554.db2.gz OYTHTCPIFNSNRP-SNVBAGLBSA-N -1 0 320.280 -0.159 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(CC(=O)NCc2ccc(F)cc2)CC1=O ZINC001598564761 1017307699 /nfs/dbraw/zinc/30/76/99/1017307699.db2.gz XKGTXPVTCSBAKO-LBPRGKRZSA-N -1 0 323.324 -0.331 20 0 DBADRM CN1C[C@H](CCN2C(=O)[C@H]3CC[C@@H](C(=O)[O-])CN3C2=O)CC1=O ZINC001598565394 1017307744 /nfs/dbraw/zinc/30/77/44/1017307744.db2.gz DXXFCIGWRAAJPP-GMTAPVOTSA-N -1 0 323.349 -0.018 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C[C@@H](O)C[C@@](C)(O)C2CC2)CC1=O ZINC001598563897 1017307902 /nfs/dbraw/zinc/30/79/02/1017307902.db2.gz QBDKZKDSWNZHPQ-MISXGVKJSA-N -1 0 300.355 -0.874 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2c[nH]cc(Cl)c2=O)CC1=O ZINC001598564467 1017308128 /nfs/dbraw/zinc/30/81/28/1017308128.db2.gz UXMSLKQQICPYGI-MRVPVSSYSA-N -1 0 313.697 -0.604 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)Cc2cc(F)ccc2O)CC1=O ZINC001598564930 1017308144 /nfs/dbraw/zinc/30/81/44/1017308144.db2.gz MTFIISNIRMNLSM-JTQLQIEISA-N -1 0 310.281 -0.172 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(C(N)=O)s2)CC1=O ZINC001598563641 1017308196 /nfs/dbraw/zinc/30/81/96/1017308196.db2.gz UGPMKGVAVSTEHO-LURJTMIESA-N -1 0 311.319 -0.786 20 0 DBADRM CN1CC[C@H]1CNC(=O)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001598588787 1017323240 /nfs/dbraw/zinc/32/32/40/1017323240.db2.gz HHXUSOVJKGWWES-QMMMGPOBSA-N -1 0 311.363 -0.117 20 0 DBADRM CN1CCC[C@@H](OC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1=O ZINC001598593554 1017323725 /nfs/dbraw/zinc/32/37/25/1017323725.db2.gz IVCYWHRMADIPHP-NXEZZACHSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1CC[C@H]1CNC(=O)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001598588682 1017324243 /nfs/dbraw/zinc/32/42/43/1017324243.db2.gz CXRQRVQLAQYKNB-ZJUUUORDSA-N -1 0 315.395 -0.917 20 0 DBADRM CN1CCCC[C@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001598598670 1017326399 /nfs/dbraw/zinc/32/63/99/1017326399.db2.gz NQYICECIWGCJTK-JTQLQIEISA-N -1 0 321.337 -0.382 20 0 DBADRM CN1CCC[C@H](N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)C1=O ZINC001598596658 1017328981 /nfs/dbraw/zinc/32/89/81/1017328981.db2.gz POWMHZMILVAANA-WFASDCNBSA-N -1 0 311.382 -0.532 20 0 DBADRM CN1CCC[C@@H](N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1=O ZINC001598595886 1017329235 /nfs/dbraw/zinc/32/92/35/1017329235.db2.gz DVUOYSFLWRDTIB-NXEZZACHSA-N -1 0 304.368 -0.819 20 0 DBADRM CN1CCC[C@@H](OC(=O)Cn2cccc(C(=O)[O-])c2=O)C1=O ZINC001598595318 1017329365 /nfs/dbraw/zinc/32/93/65/1017329365.db2.gz USAOICLQMFZSBD-SNVBAGLBSA-N -1 0 308.290 -0.290 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001598605323 1017332767 /nfs/dbraw/zinc/33/27/67/1017332767.db2.gz ZZLBRNTVCQMDTA-LBPRGKRZSA-N -1 0 324.381 -0.377 20 0 DBADRM CN1CCN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@@H](C(=O)[O-])C1 ZINC001598605365 1017333642 /nfs/dbraw/zinc/33/36/42/1017333642.db2.gz HTKCNJHZOHMNQU-QWRGUYRKSA-N -1 0 318.395 -0.714 20 0 DBADRM CN1CCC[C@@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001598602560 1017334200 /nfs/dbraw/zinc/33/42/00/1017334200.db2.gz FDNNCXFMXMQSAI-VDDIYKPWSA-N -1 0 304.368 -0.915 20 0 DBADRM CN1CCN(C(=O)CNC(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC001598607551 1017339565 /nfs/dbraw/zinc/33/95/65/1017339565.db2.gz PVPWAAPFJQEDLR-UHFFFAOYSA-N -1 0 305.334 -0.111 20 0 DBADRM CN1CCN(CC(=O)N[C@@H](C(=O)[O-])c2cccs2)CC1=O ZINC001598614760 1017344061 /nfs/dbraw/zinc/34/40/61/1017344061.db2.gz CWRUDFYQLPZGLM-GFCCVEGCSA-N -1 0 311.363 -0.236 20 0 DBADRM CC(C)=CC(=O)NCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001497370138 1017354791 /nfs/dbraw/zinc/35/47/91/1017354791.db2.gz NDALLZKQVKSJIZ-UHFFFAOYSA-N -1 0 323.353 -0.237 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])C1 ZINC001598625306 1017355488 /nfs/dbraw/zinc/35/54/88/1017355488.db2.gz JVJTZMBGQPHHGM-ZJUUUORDSA-N -1 0 302.327 -0.961 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])C1 ZINC001598625304 1017355615 /nfs/dbraw/zinc/35/56/15/1017355615.db2.gz JVJTZMBGQPHHGM-VHSXEESVSA-N -1 0 302.327 -0.961 20 0 DBADRM CN1CCn2nc(NC(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)cc2C1 ZINC001598627985 1017357820 /nfs/dbraw/zinc/35/78/20/1017357820.db2.gz JGSGCIRPRAIBEJ-GXSJLCMTSA-N -1 0 323.353 -0.372 20 0 DBADRM CN1CCn2nc(NC(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)cc2C1 ZINC001598628007 1017357993 /nfs/dbraw/zinc/35/79/93/1017357993.db2.gz JGSGCIRPRAIBEJ-MWLCHTKSSA-N -1 0 323.353 -0.372 20 0 DBADRM CNC(=O)C(C)(C)CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001598629715 1017358011 /nfs/dbraw/zinc/35/80/11/1017358011.db2.gz BNEHARVOFRWBAG-UHFFFAOYSA-N -1 0 321.380 -0.108 20 0 DBADRM CN(C(=O)[C@H]1CN(C)CCO1)[C@H](COC1CCC1)C(=O)[O-] ZINC001598626414 1017358678 /nfs/dbraw/zinc/35/86/78/1017358678.db2.gz WFECCAJPNOSQIH-VXGBXAGGSA-N -1 0 300.355 -0.202 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001598629780 1017359424 /nfs/dbraw/zinc/35/94/24/1017359424.db2.gz FDTAFGVNWQFJCY-ZETCQYMHSA-N -1 0 324.337 -0.200 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC001598634314 1017360530 /nfs/dbraw/zinc/36/05/30/1017360530.db2.gz XGVXBCAJSRWISB-MIZYBKAJSA-N -1 0 319.365 -0.078 20 0 DBADRM CNC(=O)[C@]1(C)CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001598636036 1017360780 /nfs/dbraw/zinc/36/07/80/1017360780.db2.gz YGYUCFLLZFHOHS-LLVKDONJSA-N -1 0 304.368 -0.361 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001598634917 1017361252 /nfs/dbraw/zinc/36/12/52/1017361252.db2.gz ZXIULSFKDJTXBJ-ZETCQYMHSA-N -1 0 316.335 -0.194 20 0 DBADRM CNC(=O)C1(C(=O)NCCN(C)c2ncc(C(=O)[O-])cn2)CC1 ZINC001598632079 1017361369 /nfs/dbraw/zinc/36/13/69/1017361369.db2.gz KZBWRHKAPAHBPW-UHFFFAOYSA-N -1 0 321.337 -0.747 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001598636671 1017361386 /nfs/dbraw/zinc/36/13/86/1017361386.db2.gz ZOLHSDJBYXKEDM-DBIOUOCHSA-N -1 0 313.354 -0.215 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001598633474 1017361530 /nfs/dbraw/zinc/36/15/30/1017361530.db2.gz BJNLBRYFJALLJN-ZETCQYMHSA-N -1 0 318.326 -0.134 20 0 DBADRM CNC(=O)[C@@H](CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001598633579 1017361538 /nfs/dbraw/zinc/36/15/38/1017361538.db2.gz DHCKUMZGPWERCC-SECBINFHSA-N -1 0 316.335 -0.922 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001598636037 1017361615 /nfs/dbraw/zinc/36/16/15/1017361615.db2.gz YGYUCFLLZFHOHS-NSHDSACASA-N -1 0 304.368 -0.361 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001598633473 1017361976 /nfs/dbraw/zinc/36/19/76/1017361976.db2.gz BJNLBRYFJALLJN-SSDOTTSWSA-N -1 0 318.326 -0.134 20 0 DBADRM CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001598634784 1017361996 /nfs/dbraw/zinc/36/19/96/1017361996.db2.gz VPWWARQXNLDWNE-SNVBAGLBSA-N -1 0 316.335 -0.922 20 0 DBADRM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598634966 1017362202 /nfs/dbraw/zinc/36/22/02/1017362202.db2.gz AXBXYECVECQAGR-IUCAKERBSA-N -1 0 304.368 -0.315 20 0 DBADRM CNC(=O)[C@@H]1CN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])CCO1 ZINC001598638003 1017363068 /nfs/dbraw/zinc/36/30/68/1017363068.db2.gz SPJPMQREGLLOPB-MNOVXSKESA-N -1 0 315.370 -0.951 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)CCO1 ZINC001598639248 1017363254 /nfs/dbraw/zinc/36/32/54/1017363254.db2.gz SBFOSWFFOHSUNC-GFCCVEGCSA-N -1 0 306.318 -0.099 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)CCO1 ZINC001598637057 1017363901 /nfs/dbraw/zinc/36/39/01/1017363901.db2.gz GDRMYLSTQGFBSR-HBNTYKKESA-N -1 0 313.354 -0.214 20 0 DBADRM CNC(=O)C[C@H](C)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001598640400 1017363933 /nfs/dbraw/zinc/36/39/33/1017363933.db2.gz XGZXCRNKWAUSEK-ZETCQYMHSA-N -1 0 315.351 -0.109 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)CCO1 ZINC001598639249 1017364420 /nfs/dbraw/zinc/36/44/20/1017364420.db2.gz SBFOSWFFOHSUNC-LBPRGKRZSA-N -1 0 306.318 -0.099 20 0 DBADRM CNC(=O)CCCC(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001598641019 1017364460 /nfs/dbraw/zinc/36/44/60/1017364460.db2.gz ZJOCGZCVCFHTBQ-JTQLQIEISA-N -1 0 314.338 -0.088 20 0 DBADRM CNC(=O)[C@H]1CCCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001598638806 1017364475 /nfs/dbraw/zinc/36/44/75/1017364475.db2.gz GUGQOXDEJQZQOD-OUAUKWLOSA-N -1 0 313.354 -0.356 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC001598641351 1017364807 /nfs/dbraw/zinc/36/48/07/1017364807.db2.gz ATIKRZNBNLPHDU-UHFFFAOYSA-N -1 0 307.306 -0.164 20 0 DBADRM CNC(=O)CN1CCCN(C(=O)CCSCC(=O)[O-])CC1 ZINC001598642403 1017365786 /nfs/dbraw/zinc/36/57/86/1017365786.db2.gz JCRIVENGXRTLER-UHFFFAOYSA-N -1 0 317.411 -0.525 20 0 DBADRM CNC(=O)CN(CC(=O)NC)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598641937 1017365887 /nfs/dbraw/zinc/36/58/87/1017365887.db2.gz LJJLZAKQJXEXDO-UHFFFAOYSA-N -1 0 323.349 -0.556 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001598641825 1017366948 /nfs/dbraw/zinc/36/69/48/1017366948.db2.gz JORBEJOFDNQCHM-UHFFFAOYSA-N -1 0 323.305 -0.464 20 0 DBADRM CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)CCC(N)=O ZINC001598645608 1017367044 /nfs/dbraw/zinc/36/70/44/1017367044.db2.gz HTUPBCPFLDMPHM-UHFFFAOYSA-N -1 0 323.305 -0.286 20 0 DBADRM CNC(=O)CCN(C)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598642506 1017367358 /nfs/dbraw/zinc/36/73/58/1017367358.db2.gz LKLQPNCZOOUHFP-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001598642737 1017367501 /nfs/dbraw/zinc/36/75/01/1017367501.db2.gz HRZGEIPSFFXJFP-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)CCC(F)(F)F ZINC001598695775 1017393792 /nfs/dbraw/zinc/39/37/92/1017393792.db2.gz ZJCDHEHYVNZVHA-YFKPBYRVSA-N -1 0 307.246 -0.126 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)c2ccc(C(=O)[O-])cn2)n1 ZINC001598648217 1017368336 /nfs/dbraw/zinc/36/83/36/1017368336.db2.gz FUOXJRVRGMTJOK-UHFFFAOYSA-N -1 0 320.261 -0.192 20 0 DBADRM CNC(=O)CS(=O)(=O)CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001598647756 1017368571 /nfs/dbraw/zinc/36/85/71/1017368571.db2.gz RVOXBNWTLMXHSZ-UHFFFAOYSA-N -1 0 316.335 -0.327 20 0 DBADRM CNC(=O)NCC(=O)NC[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001598651065 1017368693 /nfs/dbraw/zinc/36/86/93/1017368693.db2.gz HQZZQHVONUYQLC-SSDOTTSWSA-N -1 0 310.314 -0.980 20 0 DBADRM CNC(=O)NCCNS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001598650797 1017368696 /nfs/dbraw/zinc/36/86/96/1017368696.db2.gz MFKHPFADVFSVTH-UHFFFAOYSA-N -1 0 319.314 -0.269 20 0 DBADRM CNC(=O)NC[C@@H]1CN([C@H](C(=O)[O-])C2(OC)CCC2)CCO1 ZINC001598652357 1017368990 /nfs/dbraw/zinc/36/89/90/1017368990.db2.gz RDIBBZWZYOZIKH-GHMZBOCLSA-N -1 0 315.370 -0.362 20 0 DBADRM CNC(=O)NC[C@H]1CN([C@H](C(=O)[O-])C2(OC)CCC2)CCO1 ZINC001598652368 1017369088 /nfs/dbraw/zinc/36/90/88/1017369088.db2.gz RDIBBZWZYOZIKH-WDEREUQCSA-N -1 0 315.370 -0.362 20 0 DBADRM CNC(=O)NCC(=O)NC[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001598650757 1017369484 /nfs/dbraw/zinc/36/94/84/1017369484.db2.gz FFPDRRBVTUYHJZ-QMMMGPOBSA-N -1 0 324.341 -0.732 20 0 DBADRM CNC(=O)COc1ccc(NC(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001598649288 1017369815 /nfs/dbraw/zinc/36/98/15/1017369815.db2.gz HDYQXIWXSBDTEZ-UHFFFAOYSA-N -1 0 323.305 -0.525 20 0 DBADRM CNC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001598650437 1017369903 /nfs/dbraw/zinc/36/99/03/1017369903.db2.gz BDYYQUPISLNFAT-GARJFASQSA-N -1 0 313.354 -0.071 20 0 DBADRM CNC(=O)NC(=O)CN[C@H](C(=O)[O-])c1ccc(OC)c(O)c1 ZINC001598651387 1017370175 /nfs/dbraw/zinc/37/01/75/1017370175.db2.gz HEBUIFZWCMMEHU-NSHDSACASA-N -1 0 311.294 -0.428 20 0 DBADRM CNC(=O)N[C@H]1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001598653626 1017371198 /nfs/dbraw/zinc/37/11/98/1017371198.db2.gz WKSOAXGTIBLDOM-QMMMGPOBSA-N -1 0 307.372 -0.570 20 0 DBADRM CNC(=O)[C@H](CC(C)C)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001598655311 1017371696 /nfs/dbraw/zinc/37/16/96/1017371696.db2.gz BXHFVWQBBSTVOB-OUAUKWLOSA-N -1 0 315.370 -0.064 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC001598654122 1017372533 /nfs/dbraw/zinc/37/25/33/1017372533.db2.gz FETRBAWYVLVDHX-SSDOTTSWSA-N -1 0 323.305 -0.417 20 0 DBADRM CNC(=O)NCCC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001598653478 1017372556 /nfs/dbraw/zinc/37/25/56/1017372556.db2.gz OELHTHVAGZRZPC-UHFFFAOYSA-N -1 0 312.326 -0.472 20 0 DBADRM CNC(=O)NC[C@@H]1CN(Cc2nc(C(=O)[O-])cs2)CCO1 ZINC001598654056 1017372569 /nfs/dbraw/zinc/37/25/69/1017372569.db2.gz ZWQZRSKDZRJVJV-MRVPVSSYSA-N -1 0 314.367 -0.029 20 0 DBADRM CNC(=O)N1CCN([C@@H]2CCCN(CCC(=O)[O-])C2=O)CC1 ZINC001598652481 1017372613 /nfs/dbraw/zinc/37/26/13/1017372613.db2.gz SEGBFMDHBYPNFA-LLVKDONJSA-N -1 0 312.370 -0.591 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc(C(=O)[O-])n1 ZINC001598656122 1017373505 /nfs/dbraw/zinc/37/35/05/1017373505.db2.gz USNKHXWPXMUSQR-NSHDSACASA-N -1 0 317.305 -0.410 20 0 DBADRM CNC(=O)c1cccc(OCC(=O)NCCOCC(=O)[O-])c1 ZINC001598661276 1017373866 /nfs/dbraw/zinc/37/38/66/1017373866.db2.gz ZVXXUGRBSRSCJJ-UHFFFAOYSA-N -1 0 310.306 -0.358 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)c1c(C)coc1CC(=O)[O-] ZINC001598661291 1017374551 /nfs/dbraw/zinc/37/45/51/1017374551.db2.gz ATCFXCALZPKGGQ-UHFFFAOYSA-N -1 0 307.266 -0.055 20 0 DBADRM CN[C@H](C(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1)c1cnn(C)c1 ZINC001598661546 1017374593 /nfs/dbraw/zinc/37/45/93/1017374593.db2.gz HIDWFVNUQLGUNE-JLLWLGSASA-N -1 0 310.354 -0.466 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)N[C@H](CF)C(=O)[O-])cc1 ZINC001598659840 1017374786 /nfs/dbraw/zinc/37/47/86/1017374786.db2.gz ZASAVWIIBVXVAT-SECBINFHSA-N -1 0 304.299 -0.253 20 0 DBADRM CNC(=O)c1cccc(C(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001598659003 1017375259 /nfs/dbraw/zinc/37/52/59/1017375259.db2.gz JXOIWKZOZKYTBZ-UHFFFAOYSA-N -1 0 318.293 -0.839 20 0 DBADRM CNC(=O)c1ccc(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])nn1 ZINC001598658899 1017375493 /nfs/dbraw/zinc/37/54/93/1017375493.db2.gz NEOPMNFGBVTHOX-GMSGAONNSA-N -1 0 323.309 -0.553 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC001598661994 1017375550 /nfs/dbraw/zinc/37/55/50/1017375550.db2.gz PRILLPBXCGDHQK-QUCGXOGASA-N -1 0 307.306 -0.594 20 0 DBADRM CNC(=O)[C@H](CC(C)C)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001598656134 1017375921 /nfs/dbraw/zinc/37/59/21/1017375921.db2.gz VDBNVELJXVXADO-NSHDSACASA-N -1 0 323.349 -0.177 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001598656165 1017376064 /nfs/dbraw/zinc/37/60/64/1017376064.db2.gz RMENSSRJVAXVGU-LURJTMIESA-N -1 0 304.299 -0.063 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001598670387 1017379281 /nfs/dbraw/zinc/37/92/81/1017379281.db2.gz CXFJJBFBWCVWHE-UHFFFAOYSA-N -1 0 322.368 -0.847 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001598669349 1017379299 /nfs/dbraw/zinc/37/92/99/1017379299.db2.gz LGSGREPHQFJXKB-YFKPBYRVSA-N -1 0 307.353 -0.432 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001598670155 1017379455 /nfs/dbraw/zinc/37/94/55/1017379455.db2.gz XRTIPZFQYDZZKO-GUBZILKMSA-N -1 0 319.383 -0.427 20 0 DBADRM CNS(=O)(=O)CC(=O)N(C)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598670074 1017379738 /nfs/dbraw/zinc/37/97/38/1017379738.db2.gz XQILVIGSQYBOHO-VIFPVBQESA-N -1 0 308.356 -0.984 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001598669924 1017379929 /nfs/dbraw/zinc/37/99/29/1017379929.db2.gz SYJXLNZOFUKSDQ-ALXWSUNGSA-N -1 0 316.379 -0.219 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(c2nc(C)cc(C(=O)[O-])n2)C1 ZINC001598669654 1017380768 /nfs/dbraw/zinc/38/07/68/1017380768.db2.gz PEMLFHFRTSISAJ-MRVPVSSYSA-N -1 0 300.340 -0.389 20 0 DBADRM CNS(=O)(=O)CC(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC001598669627 1017380888 /nfs/dbraw/zinc/38/08/88/1017380888.db2.gz OFLAOZTTYVMYPV-CABZTGNLSA-N -1 0 304.368 -0.361 20 0 DBADRM CNS(=O)(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001598672158 1017382237 /nfs/dbraw/zinc/38/22/37/1017382237.db2.gz YIZZTVFPCVIWEM-SSDOTTSWSA-N -1 0 319.364 -0.395 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(c2cc(C(=O)[O-])ncn2)C1 ZINC001598670789 1017383323 /nfs/dbraw/zinc/38/33/23/1017383323.db2.gz IQWZRZXIGSPLLJ-VIFPVBQESA-N -1 0 314.367 -0.060 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)O[C@@H](COC)C(=O)[O-])co1 ZINC001598673849 1017386838 /nfs/dbraw/zinc/38/68/38/1017386838.db2.gz DKHHUHBWVLCNLL-ZETCQYMHSA-N -1 0 307.280 -0.556 20 0 DBADRM CNc1nc(C)ccc1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001598680821 1017384730 /nfs/dbraw/zinc/38/47/30/1017384730.db2.gz APXIIFMGAYFBFF-SNVBAGLBSA-N -1 0 306.322 -0.201 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)O[C@H](C)C(=O)C(=O)[O-])c1 ZINC001598677696 1017384785 /nfs/dbraw/zinc/38/47/85/1017384785.db2.gz YPTFQLBREWXXAQ-RXMQYKEDSA-N -1 0 321.332 -0.145 20 0 DBADRM CNc1nc(C)cc(C(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)n1 ZINC001598681792 1017385389 /nfs/dbraw/zinc/38/53/89/1017385389.db2.gz ROCLHAQDUMLCSF-BDAKNGLRSA-N -1 0 322.321 -0.227 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001598688804 1017387944 /nfs/dbraw/zinc/38/79/44/1017387944.db2.gz SBJLRUYRSQBHMQ-GZMMTYOYSA-N -1 0 309.340 -0.699 20 0 DBADRM COC(=O)C(C)(C)NC(=O)/C(C)=C/C(=O)NC(C)(C)C(=O)[O-] ZINC001598685487 1017388367 /nfs/dbraw/zinc/38/83/67/1017388367.db2.gz BOHHLEPQZKEUCW-BQYQJAHWSA-N -1 0 314.338 -0.020 20 0 DBADRM COC(=O)C(C)(C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598685839 1017388378 /nfs/dbraw/zinc/38/83/78/1017388378.db2.gz KBSQMAXRLXUUMJ-QMMMGPOBSA-N -1 0 300.311 -0.623 20 0 DBADRM CNc1ncccc1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001598682141 1017388856 /nfs/dbraw/zinc/38/88/56/1017388856.db2.gz WRAXVTTUARNDDG-UHFFFAOYSA-N -1 0 322.365 -0.018 20 0 DBADRM COC(=O)[C@H](C)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598687945 1017389039 /nfs/dbraw/zinc/38/90/39/1017389039.db2.gz CAEWXERBSAWQSQ-RKDXNWHRSA-N -1 0 300.311 -0.765 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)Cn1c(C)c(C)sc1=O ZINC001598694536 1017389765 /nfs/dbraw/zinc/38/97/65/1017389765.db2.gz SZAWDQWXPMPHQK-MRVPVSSYSA-N -1 0 316.335 -0.341 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)CCC[C@H]1CCOC1 ZINC001598694669 1017390031 /nfs/dbraw/zinc/39/00/31/1017390031.db2.gz MORYSRDRXMXDQK-UWVGGRQHSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(N)cc1F ZINC001598694569 1017390629 /nfs/dbraw/zinc/39/06/29/1017390629.db2.gz KMFJSSHUVMTMHR-MRVPVSSYSA-N -1 0 320.298 -0.298 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cncc(OC)c1 ZINC001598694655 1017390793 /nfs/dbraw/zinc/39/07/93/1017390793.db2.gz MEYUCYDTKMXONT-SECBINFHSA-N -1 0 318.307 -0.615 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001598694402 1017391336 /nfs/dbraw/zinc/39/13/36/1017391336.db2.gz MRLXLNNGSDJUMO-UWVGGRQHSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1CCC[C@H](NS(C)(=O)=O)C1 ZINC001598696652 1017392478 /nfs/dbraw/zinc/39/24/78/1017392478.db2.gz AYUAZOKTLKYZEF-VHSXEESVSA-N -1 0 322.383 -0.594 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001598698993 1017392708 /nfs/dbraw/zinc/39/27/08/1017392708.db2.gz NLKMCLRNZFDHAV-UTLUCORTSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)[C@H](CF)NC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001598699755 1017393524 /nfs/dbraw/zinc/39/35/24/1017393524.db2.gz SIBFAZAKHOVKBL-VIFPVBQESA-N -1 0 301.274 -0.011 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001598696326 1017393567 /nfs/dbraw/zinc/39/35/67/1017393567.db2.gz IJILOQMKSKTURH-SECBINFHSA-N -1 0 312.278 -0.253 20 0 DBADRM COC(=O)[C@H](OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C1CC1 ZINC001598711506 1017395087 /nfs/dbraw/zinc/39/50/87/1017395087.db2.gz HXTUMVYPPRJIGN-MWLCHTKSSA-N -1 0 313.306 -0.196 20 0 DBADRM COC(=O)[C@@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@@H]1CCOC1 ZINC001598702099 1017395699 /nfs/dbraw/zinc/39/56/99/1017395699.db2.gz RGWPHQFKUCXEKC-YTWAJWBKSA-N -1 0 315.322 -0.440 20 0 DBADRM COC(=O)C1(C(=O)NCC2(NC(=O)C3(C(=O)[O-])CC3)CC2)CC1 ZINC001598716577 1017397024 /nfs/dbraw/zinc/39/70/24/1017397024.db2.gz NQIHCVOVWNIEKY-UHFFFAOYSA-N -1 0 324.333 -0.431 20 0 DBADRM COC(=O)[C@@H](NCC(=O)NCCC(=O)[O-])c1cccc(O)c1 ZINC001598708989 1017397269 /nfs/dbraw/zinc/39/72/69/1017397269.db2.gz QWBLNVFGDZFMQJ-ZDUSSCGKSA-N -1 0 310.306 -0.213 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1 ZINC001598724240 1017398424 /nfs/dbraw/zinc/39/84/24/1017398424.db2.gz KFUNKKPTKZYEGJ-WBPNIITGSA-N -1 0 301.295 -0.999 20 0 DBADRM COC(=O)C1(NC(=O)c2cc(C(=O)[O-])ccn2)CC(CO)C1 ZINC001598723259 1017398851 /nfs/dbraw/zinc/39/88/51/1017398851.db2.gz DOBVWGXWKOKKIW-UHFFFAOYSA-N -1 0 308.290 -0.176 20 0 DBADRM COC(=O)[C@]1(O)CCN(S(=O)(=O)CCCCCC(=O)[O-])C1 ZINC001598725116 1017398891 /nfs/dbraw/zinc/39/88/91/1017398891.db2.gz VERMPKLUKRJUDB-LBPRGKRZSA-N -1 0 323.367 -0.429 20 0 DBADRM COC(=O)C1(NC(=O)CNC(C)=O)CCC(C(=O)[O-])CC1 ZINC001598721948 1017399021 /nfs/dbraw/zinc/39/90/21/1017399021.db2.gz IZSMEQUJLQRXTH-UHFFFAOYSA-N -1 0 300.311 -0.575 20 0 DBADRM COC(=O)[C@]1(O)CCN(S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001598724634 1017399081 /nfs/dbraw/zinc/39/90/81/1017399081.db2.gz QWYHGMHIGDWTTI-NSHDSACASA-N -1 0 319.291 -0.724 20 0 DBADRM COC(=O)C1(S(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)CCC1 ZINC001598725107 1017399116 /nfs/dbraw/zinc/39/91/16/1017399116.db2.gz BPDPUPMVPPXXJZ-UHFFFAOYSA-N -1 0 321.351 -0.773 20 0 DBADRM COC(=O)C1(NS(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC001598723786 1017400151 /nfs/dbraw/zinc/40/01/51/1017400151.db2.gz BWJSXGPHLPYZPC-UHFFFAOYSA-N -1 0 306.321 -0.175 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCC1 ZINC001598726403 1017400967 /nfs/dbraw/zinc/40/09/67/1017400967.db2.gz SLAQBSDDFOXSLU-VIFPVBQESA-N -1 0 321.351 -0.413 20 0 DBADRM COC(=O)[C@@]1(OC)CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001598726469 1017401391 /nfs/dbraw/zinc/40/13/91/1017401391.db2.gz VKUBMHGYPMUCNO-QMTHXVAHSA-N -1 0 314.338 -0.674 20 0 DBADRM COC(=O)[C@]1(NCC(=O)N2CCC(C(=O)[O-])CC2)CCOC1 ZINC001598725633 1017401809 /nfs/dbraw/zinc/40/18/09/1017401809.db2.gz MVDHAKVFQAPOQZ-AWEZNQCLSA-N -1 0 314.338 -0.769 20 0 DBADRM COC(=O)[C@@]1(CNS(=O)(=O)C[C@H](C)C(=O)[O-])CCOC1 ZINC001598727321 1017402295 /nfs/dbraw/zinc/40/22/95/1017402295.db2.gz QTODPQHKSRORDQ-GZMMTYOYSA-N -1 0 309.340 -0.794 20 0 DBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1cccc(C(=O)[O-])n1 ZINC001598741892 1017403508 /nfs/dbraw/zinc/40/35/08/1017403508.db2.gz JNKQWOGBUWRZTI-GHMZBOCLSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)[C@@H]1CC(=O)N(CN2CCSC[C@@H]2CC(=O)[O-])C1 ZINC001598740801 1017403534 /nfs/dbraw/zinc/40/35/34/1017403534.db2.gz GLXUQBGQXKIGER-ZJUUUORDSA-N -1 0 316.379 -0.143 20 0 DBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC001598744208 1017403681 /nfs/dbraw/zinc/40/36/81/1017403681.db2.gz NVOAILDCJZYFJL-GHMZBOCLSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCc1nnc[nH]1 ZINC001598748587 1017404764 /nfs/dbraw/zinc/40/47/64/1017404764.db2.gz IIXIKUWUKAVLMX-IUCAKERBSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N=S(C)(C)=O ZINC001598769081 1017411213 /nfs/dbraw/zinc/41/12/13/1017411213.db2.gz MWNMFZPFPPVIGI-BDAKNGLRSA-N -1 0 320.367 -0.421 20 0 DBADRM COC(=O)[C@@H]1[C@H](O)CCCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598745172 1017405494 /nfs/dbraw/zinc/40/54/94/1017405494.db2.gz RSBUFKGZHDUGGR-BDAKNGLRSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)[C@@H]1CC(=O)N(CN2CCOC[C@@H]2CC(=O)[O-])C1 ZINC001598745171 1017405815 /nfs/dbraw/zinc/40/58/15/1017405815.db2.gz RRPWJAWKFPMTDR-ZJUUUORDSA-N -1 0 300.311 -0.859 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001598754095 1017407566 /nfs/dbraw/zinc/40/75/66/1017407566.db2.gz CZDFAXKRSWPAMP-VHSXEESVSA-N -1 0 308.290 -0.224 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])C[C@H](OC(=O)CNC(C)=O)C1 ZINC001598755805 1017407868 /nfs/dbraw/zinc/40/78/68/1017407868.db2.gz LJABQYPECQFKQG-UTLUCORTSA-N -1 0 301.295 -0.292 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001598757856 1017407978 /nfs/dbraw/zinc/40/79/78/1017407978.db2.gz QKSRVHFLDWPQDB-VGRIYTJTSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CC(=O)Nc1ccncc1 ZINC001598753547 1017408063 /nfs/dbraw/zinc/40/80/63/1017408063.db2.gz VOTRMENJZZCLFX-PWSUYJOCSA-N -1 0 321.333 -0.220 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cnc(C)nc1N ZINC001598752530 1017408081 /nfs/dbraw/zinc/40/80/81/1017408081.db2.gz OEXFCOSLVHVRDM-SCZZXKLOSA-N -1 0 322.321 -0.154 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC(=O)CNC(C)=O)C[C@@H](C(=O)[O-])C1 ZINC001598755804 1017408217 /nfs/dbraw/zinc/40/82/17/1017408217.db2.gz LJABQYPECQFKQG-LPEHRKFASA-N -1 0 301.295 -0.292 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cn(C)ccc1=O ZINC001598754317 1017408316 /nfs/dbraw/zinc/40/83/16/1017408316.db2.gz SEBTZIZRHQZKAC-MWLCHTKSSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1cnnn1C ZINC001598764711 1017408882 /nfs/dbraw/zinc/40/88/82/1017408882.db2.gz DKIBDMWPBFZHMB-SCZZXKLOSA-N -1 0 310.310 -0.778 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cnn(C)c1N ZINC001598765269 1017409033 /nfs/dbraw/zinc/40/90/33/1017409033.db2.gz ALIJTAASZCKJRJ-VXNVDRBHSA-N -1 0 310.310 -0.519 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C(=O)c1cnn(C)c1 ZINC001598762439 1017409573 /nfs/dbraw/zinc/40/95/73/1017409573.db2.gz JHVSWODVXLTUKK-SCZZXKLOSA-N -1 0 323.305 -0.532 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CC1OCCO1 ZINC001598763364 1017409658 /nfs/dbraw/zinc/40/96/58/1017409658.db2.gz QPAQTPXCRIFKRS-IUCAKERBSA-N -1 0 301.295 -0.386 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc[n+]([O-])c1 ZINC001598766170 1017409703 /nfs/dbraw/zinc/40/97/03/1017409703.db2.gz CJHQQCCGKRHLLE-GHMZBOCLSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@H]1CCC(=O)N1C ZINC001598763483 1017410030 /nfs/dbraw/zinc/41/00/30/1017410030.db2.gz SDTKOVJNTUBRMQ-BBBLOLIVSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1cncn1C ZINC001598767519 1017410054 /nfs/dbraw/zinc/41/00/54/1017410054.db2.gz NIOIUMUEUGAAFB-KOLCDFICSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCn1cncn1 ZINC001598764458 1017410144 /nfs/dbraw/zinc/41/01/44/1017410144.db2.gz AGMYXIRPEGGWKS-GHMZBOCLSA-N -1 0 324.337 -0.077 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001598764359 1017410219 /nfs/dbraw/zinc/41/02/19/1017410219.db2.gz HRWRNXXOXDEKMC-KCJUWKMLSA-N -1 0 323.305 -0.033 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc[n+]1[O-] ZINC001598770541 1017412606 /nfs/dbraw/zinc/41/26/06/1017412606.db2.gz QPTZHLFEGZRLQU-MWLCHTKSSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cn1nccc1N ZINC001598769877 1017412726 /nfs/dbraw/zinc/41/27/26/1017412726.db2.gz UVFNVRJHKMICTL-RKDXNWHRSA-N -1 0 310.310 -0.670 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(C=O)n(C)n2)C1 ZINC001598772212 1017412838 /nfs/dbraw/zinc/41/28/38/1017412838.db2.gz KXLVUWCOAPHJCK-GZMMTYOYSA-N -1 0 323.305 -0.289 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CN2CCOC2=O)C1 ZINC001598774873 1017413729 /nfs/dbraw/zinc/41/37/29/1017413729.db2.gz MDKQRFPFAPJFSA-BDAKNGLRSA-N -1 0 314.294 -0.697 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(CC(=O)N=S(C)(C)=O)C1 ZINC001598774089 1017414420 /nfs/dbraw/zinc/41/44/20/1017414420.db2.gz CQHPEYFMCZKRRW-IUCAKERBSA-N -1 0 320.367 -0.421 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CN2CCOC2=O)C1 ZINC001598774877 1017414565 /nfs/dbraw/zinc/41/45/65/1017414565.db2.gz MDKQRFPFAPJFSA-IUCAKERBSA-N -1 0 314.294 -0.697 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1CCS(=O)(=O)N(C)C ZINC001598775763 1017414789 /nfs/dbraw/zinc/41/47/89/1017414789.db2.gz HWRCAWWOSKMBCB-ZJUUUORDSA-N -1 0 322.383 -0.784 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccn(C)c(=O)c2)C1 ZINC001598776663 1017414829 /nfs/dbraw/zinc/41/48/29/1017414829.db2.gz IZGXOSZQPGIZCT-QWRGUYRKSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(=O)cc[nH]2)C1 ZINC001598775191 1017415094 /nfs/dbraw/zinc/41/50/94/1017415094.db2.gz SJQYOCICWZPJGJ-GZMMTYOYSA-N -1 0 308.290 -0.147 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2nnn(C)c2C)C1 ZINC001598779836 1017416484 /nfs/dbraw/zinc/41/64/84/1017416484.db2.gz QBNFNIQPNNFXQW-BDAKNGLRSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001598783456 1017416627 /nfs/dbraw/zinc/41/66/27/1017416627.db2.gz YOAYQNWYXPMBTP-OPRDCNLKSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)C(=O)NCC(F)F)C1 ZINC001598783096 1017417039 /nfs/dbraw/zinc/41/70/39/1017417039.db2.gz WLEXCNVNMZLAPV-RQJHMYQMSA-N -1 0 322.264 -0.768 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(CC(=O)N2CCOCC2)C1 ZINC001598782643 1017417659 /nfs/dbraw/zinc/41/76/59/1017417659.db2.gz ZPJDNDQCKWXLSI-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)C2CN(C(C)=O)C2)C1 ZINC001598782678 1017417875 /nfs/dbraw/zinc/41/78/75/1017417875.db2.gz QVSDZJVMWOTRHR-GXSJLCMTSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)[C@@H](C(=O)[O-])C1 ZINC001598789310 1017418417 /nfs/dbraw/zinc/41/84/17/1017418417.db2.gz LMUBYRDPGUHURM-JRKPZEMJSA-N -1 0 303.286 -0.020 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cnn(C)c2N)[C@H](C(=O)[O-])C1 ZINC001598793020 1017418790 /nfs/dbraw/zinc/41/87/90/1017418790.db2.gz GBMMLQNRAQIJTD-APPZFPTMSA-N -1 0 310.310 -0.519 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H](C)NC(C)=O)[C@@H](C(=O)[O-])C1 ZINC001598791542 1017418993 /nfs/dbraw/zinc/41/89/93/1017418993.db2.gz YLYBADAGXVCNEX-SZEHBUNVSA-N -1 0 300.311 -0.624 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001598787934 1017419185 /nfs/dbraw/zinc/41/91/85/1017419185.db2.gz MKKMSKRSNJFUAC-BDAKNGLRSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001598791471 1017419957 /nfs/dbraw/zinc/41/99/57/1017419957.db2.gz XVALYLRVCILMNF-MRVPVSSYSA-N -1 0 321.289 -0.260 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)NCC2CC2)[C@@H](C(=O)[O-])C1 ZINC001598790993 1017419994 /nfs/dbraw/zinc/41/99/94/1017419994.db2.gz TWRJTKWBIHFGFS-VHSXEESVSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2ccc(C(N)=O)o2)[C@H](C(=O)[O-])C1 ZINC001598797823 1017420997 /nfs/dbraw/zinc/42/09/97/1017420997.db2.gz ZJBGQEGDVCTFMW-YUMQZZPRSA-N -1 0 324.289 -0.143 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cc2cncn2C)[C@H](C(=O)[O-])C1 ZINC001598793658 1017421095 /nfs/dbraw/zinc/42/10/95/1017421095.db2.gz LYUGFXLKCXSXFR-KOLCDFICSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2ccc(C(N)=O)o2)[C@@H](C(=O)[O-])C1 ZINC001598797820 1017421428 /nfs/dbraw/zinc/42/14/28/1017421428.db2.gz ZJBGQEGDVCTFMW-HTQZYQBOSA-N -1 0 324.289 -0.143 20 0 DBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)[C@@H]1C ZINC001598799613 1017422193 /nfs/dbraw/zinc/42/21/93/1017422193.db2.gz OLUJMMSBLFGHST-RNFRBKRXSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)[C@@H](C(=O)[O-])C1 ZINC001598793984 1017422210 /nfs/dbraw/zinc/42/22/10/1017422210.db2.gz RUTKIUURKLKSJH-KXUCPTDWSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@@H](C(=O)[O-])C1 ZINC001598796128 1017422560 /nfs/dbraw/zinc/42/25/60/1017422560.db2.gz SCAPQYXCXDDNJJ-GXSJLCMTSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(C)(C)OC(C)=O)C[C@H]1C(=O)[O-] ZINC001598803054 1017423806 /nfs/dbraw/zinc/42/38/06/1017423806.db2.gz IFEWSNBOLWIDRB-BDAKNGLRSA-N -1 0 301.295 -0.340 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]1C(=O)[O-] ZINC001598804721 1017423833 /nfs/dbraw/zinc/42/38/33/1017423833.db2.gz XOWNHFWSAPXQGP-JLIMGVALSA-N -1 0 310.306 -0.918 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]1C(=O)[O-] ZINC001598804722 1017424306 /nfs/dbraw/zinc/42/43/06/1017424306.db2.gz XOWNHFWSAPXQGP-JXUBOQSCSA-N -1 0 310.306 -0.918 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCCC(=O)[O-])C[C@@H]1C(=O)OC ZINC001598806212 1017424323 /nfs/dbraw/zinc/42/43/23/1017424323.db2.gz CBDDVXBOXHILBG-IUCAKERBSA-N -1 0 316.310 -0.545 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(F)(F)C2(O)CCC2)C[C@@H]1C(=O)[O-] ZINC001598805897 1017424675 /nfs/dbraw/zinc/42/46/75/1017424675.db2.gz FOYYQXAWMLUJJQ-YUMQZZPRSA-N -1 0 321.276 -0.131 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cc2ncccc2OC)C[C@H]1C(=O)[O-] ZINC001598807443 1017426011 /nfs/dbraw/zinc/42/60/11/1017426011.db2.gz JXMZESSEHLIQSM-ZJUUUORDSA-N -1 0 322.317 -0.035 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cc2ncccc2OC)C[C@H]1C(=O)[O-] ZINC001598807435 1017426889 /nfs/dbraw/zinc/42/68/89/1017426889.db2.gz JXMZESSEHLIQSM-NXEZZACHSA-N -1 0 322.317 -0.035 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1C(=O)[O-] ZINC001598810751 1017427164 /nfs/dbraw/zinc/42/71/64/1017427164.db2.gz VHYYPEHECBXJAN-RKDXNWHRSA-N -1 0 315.713 -0.131 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C(=O)[O-] ZINC001598813101 1017428125 /nfs/dbraw/zinc/42/81/25/1017428125.db2.gz SILIWLMHGOUISG-MNOVXSKESA-N -1 0 314.338 -0.959 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1C(=O)[O-] ZINC001598811178 1017428687 /nfs/dbraw/zinc/42/86/87/1017428687.db2.gz YUEZITNMNVIWJC-IWSPIJDZSA-N -1 0 322.321 -0.443 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2c3c(nn2C)CCC3)C[C@H]1C(=O)[O-] ZINC001598812690 1017428785 /nfs/dbraw/zinc/42/87/85/1017428785.db2.gz DNNVNKUENQUWRW-NXEZZACHSA-N -1 0 321.333 -0.145 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCO1 ZINC001598812779 1017428821 /nfs/dbraw/zinc/42/88/21/1017428821.db2.gz DWMRYWLRTPJLRD-YCWTYVPXSA-N -1 0 312.322 -0.177 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2COC[C@@H]2C)C[C@@H]1C(=O)[O-] ZINC001598810784 1017428959 /nfs/dbraw/zinc/42/89/59/1017428959.db2.gz VWFKOSZIYSLCCX-AXTSPUMRSA-N -1 0 300.311 -0.464 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCc2ccncn2)C[C@@H]1C(=O)[O-] ZINC001598812056 1017428997 /nfs/dbraw/zinc/42/89/97/1017428997.db2.gz PESCGNWQCXLJRW-WDEREUQCSA-N -1 0 307.306 -0.259 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1C(=O)[O-] ZINC001598813279 1017429020 /nfs/dbraw/zinc/42/90/20/1017429020.db2.gz UIVGUDJLMSXEJA-GHMZBOCLSA-N -1 0 308.290 -0.207 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2conc2C)C[C@H]1C(=O)[O-] ZINC001598816808 1017430964 /nfs/dbraw/zinc/43/09/64/1017430964.db2.gz RXOOWUZRRSAELO-NXEZZACHSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2cnn(C)c2C)C[C@@H]1C(=O)[O-] ZINC001598818341 1017431007 /nfs/dbraw/zinc/43/10/07/1017431007.db2.gz XTFWCSXIBUPYOA-QWRGUYRKSA-N -1 0 324.337 -0.256 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001598815049 1017431057 /nfs/dbraw/zinc/43/10/57/1017431057.db2.gz OFBYLKVGRCNJKW-JXUBOQSCSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001598815051 1017431587 /nfs/dbraw/zinc/43/15/87/1017431587.db2.gz OFBYLKVGRCNJKW-QCLAVDOMSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])n(C)n2)CCO1 ZINC001598815488 1017431957 /nfs/dbraw/zinc/43/19/57/1017431957.db2.gz MTWGPHDUIWUWAQ-QMMMGPOBSA-N -1 0 312.282 -0.476 20 0 DBADRM COC(=O)[C@@H]1CN(C)CCN(C(=O)c2cc(C(=O)[O-])no2)C1 ZINC001598817977 1017432111 /nfs/dbraw/zinc/43/21/11/1017432111.db2.gz IWDKHESSAQEZFA-MRVPVSSYSA-N -1 0 311.294 -0.450 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1C(=O)[O-] ZINC001598820308 1017433302 /nfs/dbraw/zinc/43/33/02/1017433302.db2.gz WFHGDADKEFZRNI-RKDXNWHRSA-N -1 0 321.289 -0.874 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1C(=O)[O-] ZINC001598820305 1017433336 /nfs/dbraw/zinc/43/33/36/1017433336.db2.gz WFHGDADKEFZRNI-BDAKNGLRSA-N -1 0 321.289 -0.874 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)Nc2cnccn2)C[C@H]1C(=O)[O-] ZINC001598821043 1017433506 /nfs/dbraw/zinc/43/35/06/1017433506.db2.gz JRTKVILQDSSVGB-RKDXNWHRSA-N -1 0 308.294 -0.779 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@@H]1C(=O)[O-] ZINC001598820875 1017433544 /nfs/dbraw/zinc/43/35/44/1017433544.db2.gz ISYBSYRFFCOMIZ-DTWKUNHWSA-N -1 0 307.306 -0.225 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1C(=O)[O-] ZINC001598822467 1017433553 /nfs/dbraw/zinc/43/35/53/1017433553.db2.gz QJRQYAAEDNBGGK-NXEZZACHSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)NCc2ccco2)C[C@@H]1C(=O)[O-] ZINC001598822551 1017434102 /nfs/dbraw/zinc/43/41/02/1017434102.db2.gz QXEGSOSMHJLYCX-WDEREUQCSA-N -1 0 310.306 -0.299 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)N2CCCC2)C[C@@H]1C(=O)[O-] ZINC001598823423 1017434476 /nfs/dbraw/zinc/43/44/76/1017434476.db2.gz COHSQPMLNVAIPA-IUCAKERBSA-N -1 0 306.340 -0.867 20 0 DBADRM COC(=O)[C@@H]1CN([C@H](C)c2nnnn2C2CC2)C[C@H]1C(=O)[O-] ZINC001598820922 1017434494 /nfs/dbraw/zinc/43/44/94/1017434494.db2.gz WJUGJBLGYKKZQK-SZEHBUNVSA-N -1 0 309.326 -0.125 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccc(CO)nc2)C[C@H]1C(=O)[O-] ZINC001598819910 1017434662 /nfs/dbraw/zinc/43/46/62/1017434662.db2.gz VDBMPSBKFZOHNA-MNOVXSKESA-N -1 0 308.290 -0.480 20 0 DBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)CCSCC(=O)[O-] ZINC001598821539 1017435028 /nfs/dbraw/zinc/43/50/28/1017435028.db2.gz ZMVDEUFYOKVOHK-QMMMGPOBSA-N -1 0 318.351 -0.964 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cnc3nccn3c2)C[C@@H]1C(=O)[O-] ZINC001598822468 1017435212 /nfs/dbraw/zinc/43/52/12/1017435212.db2.gz QJRQYAAEDNBGGK-UWVGGRQHSA-N -1 0 318.289 -0.325 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497590101 1017436132 /nfs/dbraw/zinc/43/61/32/1017436132.db2.gz NFWUZEMEELNFGY-XRVBUDJMSA-N -1 0 310.358 -0.813 20 0 DBADRM COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1cc(C(=O)[O-])co1 ZINC001598826833 1017436322 /nfs/dbraw/zinc/43/63/22/1017436322.db2.gz XBJJCDGEXRMHPM-JTQLQIEISA-N -1 0 317.319 -0.250 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1C(=O)[O-] ZINC001598823915 1017437245 /nfs/dbraw/zinc/43/72/45/1017437245.db2.gz XYLQKCGKPNIARS-RITPCOANSA-N -1 0 300.292 -0.206 20 0 DBADRM COC(=O)[C@@H]1CN(Cc2nc(C3CC3)nn2C)C[C@H]1C(=O)[O-] ZINC001598824899 1017437372 /nfs/dbraw/zinc/43/73/72/1017437372.db2.gz IRNOJJZGGUKOHW-NXEZZACHSA-N -1 0 308.338 -0.002 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)CC(C)(C)OC)C[C@H]1C(=O)[O-] ZINC001598824963 1017437560 /nfs/dbraw/zinc/43/75/60/1017437560.db2.gz JBXACWSAEGBEPJ-BDAKNGLRSA-N -1 0 323.367 -0.453 20 0 DBADRM COC(=O)C[C@H](NC(=O)CS(=O)(=O)CC(C)C)C(=O)[O-] ZINC001598836531 1017439978 /nfs/dbraw/zinc/43/99/78/1017439978.db2.gz AFIUFBMYNDNLNK-QMMMGPOBSA-N -1 0 309.340 -0.810 20 0 DBADRM COC(=O)C[C@@H](NC(=O)Cc1cnn2c1CCCC2)C(=O)[O-] ZINC001598836557 1017440203 /nfs/dbraw/zinc/44/02/03/1017440203.db2.gz BKAGNGKHWWHCCX-SNVBAGLBSA-N -1 0 309.322 -0.106 20 0 DBADRM COC(=O)CC(C)(C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598833884 1017440214 /nfs/dbraw/zinc/44/02/14/1017440214.db2.gz NADLPTIAHRMTQU-VIFPVBQESA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cscn2)C[C@@H]1C(=O)[O-] ZINC001598830093 1017440357 /nfs/dbraw/zinc/44/03/57/1017440357.db2.gz XBGLHIZTIBTRLJ-NKWVEPMBSA-N -1 0 320.348 -0.363 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H]1CCCc2nn(C)cc21)C(=O)[O-] ZINC001598840129 1017442121 /nfs/dbraw/zinc/44/21/21/1017442121.db2.gz ZSMMKMMCKLRXKZ-GZMMTYOYSA-N -1 0 309.322 -0.028 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C(=O)[O-] ZINC001598839069 1017442196 /nfs/dbraw/zinc/44/21/96/1017442196.db2.gz VWMLMHMWCPBSPJ-CBAPKCEASA-N -1 0 312.278 -0.470 20 0 DBADRM COC(=O)C[C@H](NC(=O)C(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC001598836847 1017442218 /nfs/dbraw/zinc/44/22/18/1017442218.db2.gz HZFNXHYPYNYGTR-QMMMGPOBSA-N -1 0 311.294 -0.648 20 0 DBADRM COC(=O)C[C@H](NC(=O)Cn1nnc2c1CCCC2)C(=O)[O-] ZINC001598841703 1017442277 /nfs/dbraw/zinc/44/22/77/1017442277.db2.gz QQQNTUGAALXVBG-VIFPVBQESA-N -1 0 310.310 -0.711 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc(C(=O)OC)nc1)C(=O)[O-] ZINC001598838327 1017442705 /nfs/dbraw/zinc/44/27/05/1017442705.db2.gz LZOIQRHSTRIANS-SECBINFHSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)C[C@H](CNC(=O)NCCOCC(=O)[O-])C1CC1 ZINC001598837331 1017442824 /nfs/dbraw/zinc/44/28/24/1017442824.db2.gz DCLLVANDIYLWFK-SNVBAGLBSA-N -1 0 302.327 -0.024 20 0 DBADRM COC(=O)C[C@H](C)CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001598838823 1017442959 /nfs/dbraw/zinc/44/29/59/1017442959.db2.gz MZDSSZYUFDXXIA-VGMNWLOBSA-N -1 0 302.327 -0.330 20 0 DBADRM COC(=O)CCC(=O)CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001598844347 1017445250 /nfs/dbraw/zinc/44/52/50/1017445250.db2.gz ISDORRPIINZNQQ-ZDUSSCGKSA-N -1 0 314.294 -0.316 20 0 DBADRM COC(=O)C[C@H]1CSCCN1CN1C[C@@H](C(=O)[O-])OC1=O ZINC001598844480 1017445574 /nfs/dbraw/zinc/44/55/74/1017445574.db2.gz NFQIEBSAZCROGF-IUCAKERBSA-N -1 0 318.351 -0.170 20 0 DBADRM COC(=O)CCCCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001598851359 1017446757 /nfs/dbraw/zinc/44/67/57/1017446757.db2.gz SFOWFIHZNZYULA-SNVBAGLBSA-N -1 0 314.338 -0.088 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001598853049 1017447008 /nfs/dbraw/zinc/44/70/08/1017447008.db2.gz WDSJZRPRCRIIOO-JTQLQIEISA-N -1 0 322.383 -0.183 20 0 DBADRM COC(=O)CCNC(=O)CN[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001598853268 1017447523 /nfs/dbraw/zinc/44/75/23/1017447523.db2.gz AJGROUREYUTNHV-CYBMUJFWSA-N -1 0 310.306 -0.213 20 0 DBADRM COC(=O)CCCS(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001598852210 1017447968 /nfs/dbraw/zinc/44/79/68/1017447968.db2.gz IIFGBEKQHNGADQ-LLVKDONJSA-N -1 0 309.340 -0.507 20 0 DBADRM COC(=O)CCCCCS(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001598850374 1017448131 /nfs/dbraw/zinc/44/81/31/1017448131.db2.gz DLTXYERUKUYOOU-GFCCVEGCSA-N -1 0 323.367 -0.429 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cnc2n[nH]nc2c1)C(=O)[O-] ZINC001598857455 1017450488 /nfs/dbraw/zinc/45/04/88/1017450488.db2.gz RZJGFCHCKDSPIX-SSDOTTSWSA-N -1 0 307.266 -0.511 20 0 DBADRM COC(=O)CCN1CC[C@H](N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)C1=O ZINC001598854337 1017450555 /nfs/dbraw/zinc/45/05/55/1017450555.db2.gz XBYOTNDWAWQHHV-OUAUKWLOSA-N -1 0 314.338 -0.676 20 0 DBADRM COC(=O)CCN1CC[C@@H](N2CC[C@@](F)(C(=O)[O-])C2)C1=O ZINC001598854255 1017451395 /nfs/dbraw/zinc/45/13/95/1017451395.db2.gz UYUCPZPEFPYMAH-RNCFNFMXSA-N -1 0 302.302 -0.351 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)c1ccc(C(=O)[O-])cn1 ZINC001598854618 1017451410 /nfs/dbraw/zinc/45/14/10/1017451410.db2.gz LEQUGYVVIDUVRV-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM COC(=O)CN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598859855 1017452565 /nfs/dbraw/zinc/45/25/65/1017452565.db2.gz XULIVTUZIJBJMX-UHFFFAOYSA-N -1 0 303.296 -0.566 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc(C(=O)OC)on1 ZINC001598860987 1017452996 /nfs/dbraw/zinc/45/29/96/1017452996.db2.gz QIKMXBVSEOCUAQ-UHFFFAOYSA-N -1 0 300.223 -0.839 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1conc1C)C(=O)[O-] ZINC001598858112 1017453123 /nfs/dbraw/zinc/45/31/23/1017453123.db2.gz HLTTWNQRXDPAIM-SSDOTTSWSA-N -1 0 306.296 -0.332 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)C[C@H]1CCCS1(=O)=O ZINC001598861157 1017453497 /nfs/dbraw/zinc/45/34/97/1017453497.db2.gz YINOFKKXKDKUDX-MRVPVSSYSA-N -1 0 307.324 -0.960 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1ccc2c(n1)OCCO2)C(=O)[O-] ZINC001598858001 1017453562 /nfs/dbraw/zinc/45/35/62/1017453562.db2.gz VZHOLRFRIWICFC-SECBINFHSA-N -1 0 324.289 -0.011 20 0 DBADRM COC(=O)COCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001598864393 1017455861 /nfs/dbraw/zinc/45/58/61/1017455861.db2.gz HPUROZDUKKOQNL-DTWKUNHWSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1coc(S(C)(=O)=O)c1 ZINC001598862093 1017455914 /nfs/dbraw/zinc/45/59/14/1017455914.db2.gz ZKYWCVIKOFVZPU-UHFFFAOYSA-N -1 0 319.291 -0.617 20 0 DBADRM COC(=O)CN(Cc1cn(CC(=O)[O-])nn1)C1CCOCC1 ZINC001598864083 1017455943 /nfs/dbraw/zinc/45/59/43/1017455943.db2.gz ZMXJDQBXQGWCJX-UHFFFAOYSA-N -1 0 312.326 -0.483 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)N1CCOC[C@H]1C1CC1 ZINC001598863398 1017456021 /nfs/dbraw/zinc/45/60/21/1017456021.db2.gz LPTBXRJUFZBMRV-NSHDSACASA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccn(C2CC2)c1=O ZINC001598862016 1017456301 /nfs/dbraw/zinc/45/63/01/1017456301.db2.gz UXHOQGQYDHVVOE-UHFFFAOYSA-N -1 0 308.290 -0.117 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCCCC(=O)[O-] ZINC001598864086 1017456329 /nfs/dbraw/zinc/45/63/29/1017456329.db2.gz ADSAYTMARRNNRD-JTQLQIEISA-N -1 0 314.338 -0.088 20 0 DBADRM COC(=O)COCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001598864395 1017456523 /nfs/dbraw/zinc/45/65/23/1017456523.db2.gz HPUROZDUKKOQNL-RKDXNWHRSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)COCCNS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001598865457 1017457576 /nfs/dbraw/zinc/45/75/76/1017457576.db2.gz JBNCLKUPGDULOG-UHFFFAOYSA-N -1 0 321.307 -0.246 20 0 DBADRM COC(=O)NCCC(=O)N(CCC(=O)[O-])CC(OC)OC ZINC001598882857 1017463621 /nfs/dbraw/zinc/46/36/21/1017463621.db2.gz IQRIQTHDYLNHMQ-UHFFFAOYSA-N -1 0 306.315 -0.345 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)c1ccc(C(=O)[O-])cn1 ZINC001598865233 1017458767 /nfs/dbraw/zinc/45/87/67/1017458767.db2.gz PJNJMTJXHYJQST-ZETCQYMHSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)C[C@@H](OC(=O)[C@H](OC)c1cnn(C)c1)C(=O)[O-] ZINC001598867448 1017458798 /nfs/dbraw/zinc/45/87/98/1017458798.db2.gz BNHCPRZCZAVUTG-PSASIEDQSA-N -1 0 300.267 -0.333 20 0 DBADRM COC(=O)N(C)CCN(C)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001598877037 1017460642 /nfs/dbraw/zinc/46/06/42/1017460642.db2.gz MWGPZQJNFKPVRB-UHFFFAOYSA-N -1 0 308.356 -0.047 20 0 DBADRM COC(=O)N(C)CCNC(=O)COCc1ocnc1C(=O)[O-] ZINC001598877736 1017460656 /nfs/dbraw/zinc/46/06/56/1017460656.db2.gz TXRIPEQOQZORAR-UHFFFAOYSA-N -1 0 315.282 -0.296 20 0 DBADRM COC(=O)C[C@@H](OC(=O)c1cnc(C(=O)OC)cn1)C(=O)[O-] ZINC001598871412 1017461216 /nfs/dbraw/zinc/46/12/16/1017461216.db2.gz NULIJGDLQOCODK-MRVPVSSYSA-N -1 0 312.234 -0.564 20 0 DBADRM COC(=O)Cn1ccc(N[C@H]2CCN(CCC(=O)[O-])C2=O)n1 ZINC001598875260 1017461418 /nfs/dbraw/zinc/46/14/18/1017461418.db2.gz ZRTAYOSOGOISOY-VIFPVBQESA-N -1 0 310.310 -0.456 20 0 DBADRM COC(=O)N1CC(NC(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1 ZINC001598875845 1017461705 /nfs/dbraw/zinc/46/17/05/1017461705.db2.gz OFRCLMWWWLODMX-UHFFFAOYSA-N -1 0 324.293 -0.771 20 0 DBADRM COC(=O)N(C)CCN(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001598877097 1017461992 /nfs/dbraw/zinc/46/19/92/1017461992.db2.gz PPURGXWKMVPAPO-UHFFFAOYSA-N -1 0 320.327 -0.573 20 0 DBADRM COC(=O)NCCC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001598883644 1017463102 /nfs/dbraw/zinc/46/31/02/1017463102.db2.gz SQIRTQMXEBLWGQ-BDAKNGLRSA-N -1 0 316.310 -0.403 20 0 DBADRM COC(=O)N1CCC(C(=O)N2CC[C@](O)(C(=O)[O-])C2)CC1 ZINC001598880317 1017463473 /nfs/dbraw/zinc/46/34/73/1017463473.db2.gz RBOIQNSGRVASMN-CYBMUJFWSA-N -1 0 300.311 -0.487 20 0 DBADRM COC(=O)N1CC(NS(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001598880789 1017463839 /nfs/dbraw/zinc/46/38/39/1017463839.db2.gz YYOLFUXBZHTPNY-UHFFFAOYSA-N -1 0 306.340 -0.389 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001598884121 1017465909 /nfs/dbraw/zinc/46/59/09/1017465909.db2.gz KBVOVIRLNLLJGK-CIUDSAMLSA-N -1 0 316.310 -0.404 20 0 DBADRM COC(=O)[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001598888921 1017466320 /nfs/dbraw/zinc/46/63/20/1017466320.db2.gz MSSZTGHHFGEXCY-SSDOTTSWSA-N -1 0 304.324 -0.095 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001598884124 1017466394 /nfs/dbraw/zinc/46/63/94/1017466394.db2.gz KBVOVIRLNLLJGK-YIZRAAEISA-N -1 0 316.310 -0.404 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001598890683 1017466466 /nfs/dbraw/zinc/46/64/66/1017466466.db2.gz UMGGAGACXGOVGZ-PSASIEDQSA-N -1 0 324.337 -0.557 20 0 DBADRM COC(=O)NCC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001598883658 1017466802 /nfs/dbraw/zinc/46/68/02/1017466802.db2.gz TVXLGAIFCJBAKB-UHFFFAOYSA-N -1 0 323.305 -0.276 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001598896578 1017468321 /nfs/dbraw/zinc/46/83/21/1017468321.db2.gz NCCJVYJLWUOJDX-XFWSIPNHSA-N -1 0 321.351 -0.510 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc2c(n1)OCCO2 ZINC001598893017 1017468385 /nfs/dbraw/zinc/46/83/85/1017468385.db2.gz ZHRIMJRGDICSNA-SECBINFHSA-N -1 0 324.289 -0.011 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)[C@@H](C)O ZINC001598893197 1017468481 /nfs/dbraw/zinc/46/84/81/1017468481.db2.gz CQSPJTQNQQVOKU-XRGYYRRGSA-N -1 0 323.348 -0.353 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598893337 1017468997 /nfs/dbraw/zinc/46/89/97/1017468997.db2.gz FMIOLEDKLGJLQA-ZETOZRRWSA-N -1 0 307.302 -0.105 20 0 DBADRM COC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001598895760 1017469237 /nfs/dbraw/zinc/46/92/37/1017469237.db2.gz IGSZGDQJLQPCPU-RQJHMYQMSA-N -1 0 318.307 -0.007 20 0 DBADRM COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)c1ccc(C(=O)[O-])n1C ZINC001598893849 1017469340 /nfs/dbraw/zinc/46/93/40/1017469340.db2.gz AVIWCVRYQJNTMB-SECBINFHSA-N -1 0 320.305 -0.040 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@H](C)C(=O)[O-])C[C@H](C)O1 ZINC001598899253 1017470571 /nfs/dbraw/zinc/47/05/71/1017470571.db2.gz JJQFVKKNOKJEEZ-CIUDSAMLSA-N -1 0 309.340 -0.701 20 0 DBADRM COC(=O)[C@@H]1CO[C@H](CCC(=O)NC[C@H](O)CC(=O)[O-])C1 ZINC001598899532 1017471448 /nfs/dbraw/zinc/47/14/48/1017471448.db2.gz APOXCBRXZYFCNX-IVZWLZJFSA-N -1 0 303.311 -0.704 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)O1 ZINC001598897799 1017471745 /nfs/dbraw/zinc/47/17/45/1017471745.db2.gz RKKCDNFLCDCPRD-QEYWKRMJSA-N -1 0 301.295 -0.999 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)O1 ZINC001598897687 1017471893 /nfs/dbraw/zinc/47/18/93/1017471893.db2.gz JRAUMXZQGVBNLF-YTWAJWBKSA-N -1 0 315.322 -0.440 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001598900215 1017472033 /nfs/dbraw/zinc/47/20/33/1017472033.db2.gz KJAGYTXDCMHLEQ-VXNVDRBHSA-N -1 0 316.335 -0.189 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC001598897040 1017472260 /nfs/dbraw/zinc/47/22/60/1017472260.db2.gz KYKKKFKFRVFAOV-KYXWUPHJSA-N -1 0 300.311 -0.179 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001598900594 1017472360 /nfs/dbraw/zinc/47/23/60/1017472360.db2.gz ZHFHYVSTPFJVQH-JRKPZEMJSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001598902029 1017472511 /nfs/dbraw/zinc/47/25/11/1017472511.db2.gz CBVRMSHBDMIOTH-GWOFURMSSA-N -1 0 314.338 -0.073 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001598901191 1017472539 /nfs/dbraw/zinc/47/25/39/1017472539.db2.gz FNYCUJLQKQVUGT-XFWSIPNHSA-N -1 0 321.351 -0.510 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)O1 ZINC001598897464 1017472546 /nfs/dbraw/zinc/47/25/46/1017472546.db2.gz OLAOKCXHUNINFT-IMSYWVGJSA-N -1 0 301.295 -0.593 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598899814 1017472558 /nfs/dbraw/zinc/47/25/58/1017472558.db2.gz FHWBGHJPMHTBBY-LPEHRKFASA-N -1 0 322.321 -0.051 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])O1 ZINC001598905220 1017473701 /nfs/dbraw/zinc/47/37/01/1017473701.db2.gz HXTKGZODIHVLCI-LPEHRKFASA-N -1 0 311.294 -0.827 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001598906579 1017474251 /nfs/dbraw/zinc/47/42/51/1017474251.db2.gz OIBBJXQPLZZPLE-HTQZYQBOSA-N -1 0 319.291 -0.725 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C[C@@H](C)O1 ZINC001598905074 1017474713 /nfs/dbraw/zinc/47/47/13/1017474713.db2.gz NFFNVNFYIDTUGL-DOLQZWNJSA-N -1 0 301.295 -0.593 20 0 DBADRM COC(=O)[C@H]1O[C@H](C(=O)N2CCOC[C@@H]2CC(=O)[O-])C[C@@H]1C ZINC001598909102 1017474804 /nfs/dbraw/zinc/47/48/04/1017474804.db2.gz QMJOODDXANUNEU-GMOBBJLQSA-N -1 0 315.322 -0.345 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1 ZINC001598907711 1017474852 /nfs/dbraw/zinc/47/48/52/1017474852.db2.gz ZGMOSBKMYSMLSL-KXUCPTDWSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN(C)Cc2cn(C)nn2)n1 ZINC001598924692 1017476625 /nfs/dbraw/zinc/47/66/25/1017476625.db2.gz IQFAKJRPXYJOPD-UHFFFAOYSA-N -1 0 308.298 -0.414 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])ccn1 ZINC001598917433 1017477674 /nfs/dbraw/zinc/47/76/74/1017477674.db2.gz JLRKBNGIZDMDTM-GHMZBOCLSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)c1cc(C(=O)OC)n(CC(=O)C2(C(=O)[O-])CC2)n1 ZINC001598926240 1017477691 /nfs/dbraw/zinc/47/76/91/1017477691.db2.gz IWSXVISSGVXDDH-UHFFFAOYSA-N -1 0 310.262 -0.110 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c[nH]1 ZINC001598920259 1017477954 /nfs/dbraw/zinc/47/79/54/1017477954.db2.gz WVNCFDZCAPKHQD-BQBZGAKWSA-N -1 0 311.294 -0.491 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)on1 ZINC001598952746 1017479983 /nfs/dbraw/zinc/47/99/83/1017479983.db2.gz RBSULKDDRJHVTO-RQJHMYQMSA-N -1 0 318.307 -0.055 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](C)O)ccc1C(=O)[O-] ZINC001598953732 1017480455 /nfs/dbraw/zinc/48/04/55/1017480455.db2.gz SLVFWJLNJHLJMI-ZETCQYMHSA-N -1 0 317.319 -0.170 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C)CO)ccc1C(=O)[O-] ZINC001598955692 1017481085 /nfs/dbraw/zinc/48/10/85/1017481085.db2.gz MQUWBPNLPQCJNY-SSDOTTSWSA-N -1 0 317.319 -0.170 20 0 DBADRM COC(=O)c1cc(CN2CCC[C@H]2C(=O)NCC(=O)[O-])cn1C ZINC001598932540 1017481234 /nfs/dbraw/zinc/48/12/34/1017481234.db2.gz KYPHHLMOLTXCOM-NSHDSACASA-N -1 0 323.349 -0.023 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC2(CC(=O)[O-])CC2)n[nH]1 ZINC001598954348 1017481406 /nfs/dbraw/zinc/48/14/06/1017481406.db2.gz UQKNRAXDRCFPDP-UHFFFAOYSA-N -1 0 303.296 -0.518 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)on1 ZINC001598952743 1017481431 /nfs/dbraw/zinc/48/14/31/1017481431.db2.gz RBSULKDDRJHVTO-BQBZGAKWSA-N -1 0 318.307 -0.055 20 0 DBADRM Cc1ncc(CNC/C=C\CNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001497734437 1017482798 /nfs/dbraw/zinc/48/27/98/1017482798.db2.gz LNHJRLYVDDSDHZ-IHWYPQMZSA-N -1 0 322.325 -0.552 20 0 DBADRM COC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])cn1 ZINC001598967270 1017483287 /nfs/dbraw/zinc/48/32/87/1017483287.db2.gz FDXOMPQHJXPIGH-ZETCQYMHSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])cn1 ZINC001598967269 1017483542 /nfs/dbraw/zinc/48/35/42/1017483542.db2.gz FDXOMPQHJXPIGH-SSDOTTSWSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)c1cccc([C@@H](C(=O)[O-])N2CC[C@@](O)(C(N)=O)C2)c1 ZINC001598997545 1017484862 /nfs/dbraw/zinc/48/48/62/1017484862.db2.gz UCDPTSYVCOTSDP-NHYWBVRUSA-N -1 0 322.317 -0.479 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)C[C@H](C)NC(N)=O)OC ZINC001599046417 1017495215 /nfs/dbraw/zinc/49/52/15/1017495215.db2.gz GJCKTLJDSPQTIB-QMMMGPOBSA-N -1 0 305.331 -0.645 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C)C=CC(=O)[O-] ZINC001599007164 1017486053 /nfs/dbraw/zinc/48/60/53/1017486053.db2.gz DITKVWXQLRZOGH-FCJGRKLLSA-N -1 0 303.296 -0.496 20 0 DBADRM COC(=O)c1ccnc(C(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC001599006193 1017486158 /nfs/dbraw/zinc/48/61/58/1017486158.db2.gz MYIMYQQBOYHXOO-UHFFFAOYSA-N -1 0 319.277 -0.412 20 0 DBADRM COC(=O)c1cn(CC(=O)N[C@@H](CC(F)F)C(=O)[O-])nn1 ZINC001599008669 1017486284 /nfs/dbraw/zinc/48/62/84/1017486284.db2.gz UFODZGYIXYNBBU-YFKPBYRVSA-N -1 0 306.225 -0.711 20 0 DBADRM COC(=O)c1cn(CCNC(=O)c2cncc(C(=O)[O-])c2)nn1 ZINC001599008047 1017486849 /nfs/dbraw/zinc/48/68/49/1017486849.db2.gz CRVADIXZBRAWMR-UHFFFAOYSA-N -1 0 319.277 -0.412 20 0 DBADRM COC(=O)c1cn(CC(=O)N[C@H](CC(F)F)C(=O)[O-])nn1 ZINC001599008668 1017487191 /nfs/dbraw/zinc/48/71/91/1017487191.db2.gz UFODZGYIXYNBBU-RXMQYKEDSA-N -1 0 306.225 -0.711 20 0 DBADRM COC(=O)c1ccnc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])c1 ZINC001599004694 1017487226 /nfs/dbraw/zinc/48/72/26/1017487226.db2.gz PVJLRAADFNRBRJ-MRVPVSSYSA-N -1 0 320.298 -0.041 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C)C=CC(=O)[O-] ZINC001599007165 1017487246 /nfs/dbraw/zinc/48/72/46/1017487246.db2.gz DITKVWXQLRZOGH-KGJQDRRLSA-N -1 0 303.296 -0.496 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001599008341 1017487365 /nfs/dbraw/zinc/48/73/65/1017487365.db2.gz XPDVVPQSHUXSGU-IZLXSQMJSA-N -1 0 303.296 -0.662 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497762445 1017489340 /nfs/dbraw/zinc/48/93/40/1017489340.db2.gz AXNMOZJJIHRYLB-OTDNITJGSA-N -1 0 322.369 -0.717 20 0 DBADRM CO[C@H](C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-])[C@@H]1CCOC1 ZINC001599023418 1017490123 /nfs/dbraw/zinc/49/01/23/1017490123.db2.gz HTVJEIWSROBXGG-FOGDFJRCSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccnn1C)c1cnn(C)c1 ZINC001599024910 1017490322 /nfs/dbraw/zinc/49/03/22/1017490322.db2.gz DTSYMJAXSFMKFT-WDEREUQCSA-N -1 0 307.310 -0.217 20 0 DBADRM COC(=O)c1cscc1C(=O)OCC(=O)NCC(=O)[O-] ZINC001599015687 1017490665 /nfs/dbraw/zinc/49/06/65/1017490665.db2.gz YWRRBUWVORCNPE-UHFFFAOYSA-N -1 0 301.276 -0.108 20 0 DBADRM COC(=O)c1cnn(CC(=O)OCC(=O)C(C)(C)C(=O)[O-])c1 ZINC001599012655 1017490889 /nfs/dbraw/zinc/49/08/89/1017490889.db2.gz IRVCDMPNUNQYOX-UHFFFAOYSA-N -1 0 312.278 -0.107 20 0 DBADRM CO[C@@](C)(CO)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001599035051 1017491827 /nfs/dbraw/zinc/49/18/27/1017491827.db2.gz RONGNWAKHRUQGJ-LLVKDONJSA-N -1 0 307.324 -0.038 20 0 DBADRM COC(C)(C)CN(C)C(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599033226 1017492057 /nfs/dbraw/zinc/49/20/57/1017492057.db2.gz YDPQOCFHNHMQPJ-UWVGGRQHSA-N -1 0 316.354 -0.430 20 0 DBADRM COC(C)(C)CNC(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001599032910 1017492556 /nfs/dbraw/zinc/49/25/56/1017492556.db2.gz JZZMNKROFPISTR-CYBMUJFWSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(C)(C)C[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001599033362 1017492972 /nfs/dbraw/zinc/49/29/72/1017492972.db2.gz SJWISZNVVBLDEL-NXEZZACHSA-N -1 0 316.354 -0.382 20 0 DBADRM CO[C@@](C)(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C(=O)OC(C)(C)C ZINC001599031589 1017493291 /nfs/dbraw/zinc/49/32/91/1017493291.db2.gz KCCMNKYREXZWDX-UJVNDKKSSA-N -1 0 305.327 -0.317 20 0 DBADRM CO[C@@](C)([C@@H](C)NC(=O)C(=O)NC[C@H](F)C(=O)[O-])C1CC1 ZINC001599035538 1017494662 /nfs/dbraw/zinc/49/46/62/1017494662.db2.gz OXNNPVXAMKWKKI-CERSQZSQSA-N -1 0 304.318 -0.155 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@H]1CCCC(=O)N1)OC ZINC001599045111 1017494835 /nfs/dbraw/zinc/49/48/35/1017494835.db2.gz BONZXJWDYQXGSU-SECBINFHSA-N -1 0 302.327 -0.423 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@@H]1CCCNC1=O)OC ZINC001599046645 1017495076 /nfs/dbraw/zinc/49/50/76/1017495076.db2.gz KFYMARAUGQWFKO-SECBINFHSA-N -1 0 302.327 -0.565 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@@H](CO)Nc1ncc(C(=O)[O-])cn1 ZINC001599038665 1017495094 /nfs/dbraw/zinc/49/50/94/1017495094.db2.gz RVFXLZRMCJXTPI-SCZZXKLOSA-N -1 0 312.326 -0.511 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@@H]1CCC(=O)N1C)OC ZINC001599046189 1017495896 /nfs/dbraw/zinc/49/58/96/1017495896.db2.gz CDEOZHFUZRQXDJ-VIFPVBQESA-N -1 0 302.327 -0.471 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)c1cc2n(n1)CCO2)OC ZINC001599046128 1017495904 /nfs/dbraw/zinc/49/59/04/1017495904.db2.gz AFSBDSLLAUPGOB-UHFFFAOYSA-N -1 0 313.310 -0.189 20 0 DBADRM CO[C@H](C)CN(C)C(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001599040046 1017496138 /nfs/dbraw/zinc/49/61/38/1017496138.db2.gz KSDPKUZLNATWNP-OPRDCNLKSA-N -1 0 302.327 -0.820 20 0 DBADRM CO[C@@H](CS(=O)(=O)NCCn1cc(C(=O)[O-])nn1)C1CC1 ZINC001599056276 1017498018 /nfs/dbraw/zinc/49/80/18/1017498018.db2.gz MIVKGQSQCNORPD-JTQLQIEISA-N -1 0 318.355 -0.679 20 0 DBADRM CO[C@H](CN1CCS(=O)(=O)C[C@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC001599052701 1017498740 /nfs/dbraw/zinc/49/87/40/1017498740.db2.gz XAJWDBBAGOGHFC-OUAUKWLOSA-N -1 0 307.368 -0.779 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)[C@@H]1CCOC1 ZINC001599053715 1017498898 /nfs/dbraw/zinc/49/88/98/1017498898.db2.gz DDHXRRNWKPQKHX-VXNVDRBHSA-N -1 0 319.339 -0.562 20 0 DBADRM CO[C@H](CS(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)C1CC1 ZINC001599058379 1017501402 /nfs/dbraw/zinc/50/14/02/1017501402.db2.gz LHVZKPSIYITVJC-GARJFASQSA-N -1 0 307.368 -0.491 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-])C(C)C ZINC001599060754 1017501123 /nfs/dbraw/zinc/50/11/23/1017501123.db2.gz YQCNKPFDOPMSTH-AXFHLTTASA-N -1 0 309.384 -0.103 20 0 DBADRM CO[C@@H](Cc1ccccc1)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001599059338 1017501256 /nfs/dbraw/zinc/50/12/56/1017501256.db2.gz SGSTVSVPADHCAC-STQMWFEESA-N -1 0 320.345 -0.002 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](C)CC2)C1 ZINC001599065522 1017502355 /nfs/dbraw/zinc/50/23/55/1017502355.db2.gz HHJJSJGSHAXPBG-QMTHXVAHSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001599065830 1017502417 /nfs/dbraw/zinc/50/24/17/1017502417.db2.gz OPDBOZJPEBPDRV-HOTUBEGUSA-N -1 0 307.368 -0.242 20 0 DBADRM CO[C@]1(C(=O)Nc2ccc(C(=O)[O-])nn2)CCS(=O)(=O)C1 ZINC001599063799 1017503110 /nfs/dbraw/zinc/50/31/10/1017503110.db2.gz YWIZEUZFPKVNCJ-LLVKDONJSA-N -1 0 315.307 -0.683 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCOC[C@@H]2C)C1 ZINC001599066279 1017503350 /nfs/dbraw/zinc/50/33/50/1017503350.db2.gz MFVIGMVWVQIJSZ-PKFCDNJMSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@]1(C(=O)NCCC(=O)NCCC(=O)[O-])CCSC1 ZINC001599065270 1017503502 /nfs/dbraw/zinc/50/35/02/1017503502.db2.gz WAPSZWIQHFHQCB-GFCCVEGCSA-N -1 0 304.368 -0.394 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)Cc2ccoc2)C1 ZINC001599067959 1017504557 /nfs/dbraw/zinc/50/45/57/1017504557.db2.gz IRCSEQFRVKIUFK-AWEZNQCLSA-N -1 0 310.306 -0.060 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CC2SC(=N)NC2=O)C1 ZINC001599067432 1017504970 /nfs/dbraw/zinc/50/49/70/1017504970.db2.gz AHIVQBLMJXFDGW-UPONEAKYSA-N -1 0 301.324 -0.755 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@]2(C)CC2(F)F)C1 ZINC001599067091 1017504993 /nfs/dbraw/zinc/50/49/93/1017504993.db2.gz QIINXAMKRJDGNU-VXGBXAGGSA-N -1 0 320.292 -0.150 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(CC3CC3)C2)C1 ZINC001599067995 1017505111 /nfs/dbraw/zinc/50/51/11/1017505111.db2.gz KBIXFLYFLHSMQP-OAHLLOKOSA-N -1 0 310.350 -0.053 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@]2(C)CCOC2)C1 ZINC001599067274 1017505362 /nfs/dbraw/zinc/50/53/62/1017505362.db2.gz RRUOFMNSGQCQSN-UONOGXRCSA-N -1 0 314.338 -0.769 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](C3CC3)C2)C1 ZINC001599068175 1017505874 /nfs/dbraw/zinc/50/58/74/1017505874.db2.gz WUSGBFNEGXJXIZ-XHDPSFHLSA-N -1 0 310.350 -0.053 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)Cc2cccnc2)C1 ZINC001599069262 1017505949 /nfs/dbraw/zinc/50/59/49/1017505949.db2.gz SPNXVPROCVUHJC-OAHLLOKOSA-N -1 0 321.333 -0.258 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cnc(C)nc2)C1 ZINC001599070277 1017507744 /nfs/dbraw/zinc/50/77/44/1017507744.db2.gz UCLLWMXNYRBAQN-CYBMUJFWSA-N -1 0 308.294 -0.574 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cncc(F)c2)C1 ZINC001599070269 1017507862 /nfs/dbraw/zinc/50/78/62/1017507862.db2.gz TWSATSPGQZRJJL-CYBMUJFWSA-N -1 0 311.269 -0.139 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCc2ccc(C)o2)C1 ZINC001599070420 1017507933 /nfs/dbraw/zinc/50/79/33/1017507933.db2.gz ULUOKDSIVXXUHI-OAHLLOKOSA-N -1 0 324.333 -0.051 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnc([C@]3(O)CCOC3)n2C)C1 ZINC001599076704 1017509503 /nfs/dbraw/zinc/50/95/03/1017509503.db2.gz DRZGTOYTITUZAK-STQMWFEESA-N -1 0 312.326 -0.897 20 0 DBADRM CO[C@@]1(CNC(=O)Cn2cccc(C(=O)[O-])c2=O)CCOC1 ZINC001599089453 1017512556 /nfs/dbraw/zinc/51/25/56/1017512556.db2.gz OOWDOJQMGPBCLC-CQSZACIVSA-N -1 0 310.306 -0.532 20 0 DBADRM COC1(c2nccn2C)CN(C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001599092871 1017512981 /nfs/dbraw/zinc/51/29/81/1017512981.db2.gz IOFVUCRAPDJJJG-UHFFFAOYSA-N -1 0 319.321 -0.301 20 0 DBADRM CO[C@@]1(CO)CCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1 ZINC001599091683 1017513075 /nfs/dbraw/zinc/51/30/75/1017513075.db2.gz HHVFIBRBYCCNNG-JSGCOSHPSA-N -1 0 302.371 -0.315 20 0 DBADRM COC1(CO)CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC001599091496 1017513271 /nfs/dbraw/zinc/51/32/71/1017513271.db2.gz BQAMJVLLJCVURP-LBPRGKRZSA-N -1 0 302.371 -0.315 20 0 DBADRM CO[C@]1(CN2C(=O)[C@H]3CC[C@@H](C(=O)[O-])CN3C2=O)CCOC1 ZINC001599090014 1017513304 /nfs/dbraw/zinc/51/33/04/1017513304.db2.gz XWVRVWKMERTGQO-RULNRJAQSA-N -1 0 312.322 -0.081 20 0 DBADRM CO[C@@]1(CNC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CCOC1 ZINC001599088614 1017513416 /nfs/dbraw/zinc/51/34/16/1017513416.db2.gz DSUOSSZVSIUVOC-OUJBWJOFSA-N -1 0 302.327 -0.325 20 0 DBADRM CO[C@@]1(CNS(=O)(=O)c2cncc(C(=O)[O-])c2)CCOC1 ZINC001599090772 1017513579 /nfs/dbraw/zinc/51/35/79/1017513579.db2.gz NOACZRDJJBMCMJ-GFCCVEGCSA-N -1 0 316.335 -0.136 20 0 DBADRM CO[C@@H]1CC[C@H]2OCCN(CC(=O)NCCC(=O)[O-])[C@@H]2C1 ZINC001599102865 1017514674 /nfs/dbraw/zinc/51/46/74/1017514674.db2.gz KMKLIGRSUWZEED-IJLUTSLNSA-N -1 0 300.355 -0.154 20 0 DBADRM CO[C@@H]1CCC[C@@H]([C@@H](NS(=O)(=O)C2COC2)C(=O)[O-])C1 ZINC001599112597 1017515122 /nfs/dbraw/zinc/51/51/22/1017515122.db2.gz MKKILSYDWSWJAH-FXPVBKGRSA-N -1 0 307.368 -0.037 20 0 DBADRM CO[C@]1(Cn2nnnc2N2CCC(C(=O)[O-])CC2)CCOC1 ZINC001599093717 1017515750 /nfs/dbraw/zinc/51/57/50/1017515750.db2.gz DHXAUAMSWSYSNP-ZDUSSCGKSA-N -1 0 311.342 -0.220 20 0 DBADRM COC1CC(C(=O)NC[C@H](CO)Nc2ncc(C(=O)[O-])cn2)C1 ZINC001599093883 1017516003 /nfs/dbraw/zinc/51/60/03/1017516003.db2.gz MTRYKFJTQVBCIE-LDGBHUKOSA-N -1 0 324.337 -0.511 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)[C@H]2COC(=O)N2)C(=O)[O-])C1 ZINC001599106046 1017516785 /nfs/dbraw/zinc/51/67/85/1017516785.db2.gz DQTIFLGLPBNQEE-JLIMGVALSA-N -1 0 300.311 -0.131 20 0 DBADRM CO[C@@H]1CC[C@@H]2OCCN(C(=O)Cn3cc(C(=O)[O-])nn3)[C@H]2C1 ZINC001599103121 1017516796 /nfs/dbraw/zinc/51/67/96/1017516796.db2.gz LBEOFPFJMRGONP-USWWRNFRSA-N -1 0 324.337 -0.229 20 0 DBADRM CO[C@@H]1CCN(C(=O)CNC(=O)c2ccncc2)[C@@H](C(=O)[O-])C1 ZINC001599120110 1017517495 /nfs/dbraw/zinc/51/74/95/1017517495.db2.gz UIDYDMWFCUXZJR-VXGBXAGGSA-N -1 0 321.333 -0.098 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)[C@@H](C(=O)[O-])C1 ZINC001599117535 1017517915 /nfs/dbraw/zinc/51/79/15/1017517915.db2.gz IQJLNAZBVVFCCB-KYXWUPHJSA-N -1 0 300.311 -0.890 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H](C(=O)[O-])C1 ZINC001599118883 1017518084 /nfs/dbraw/zinc/51/80/84/1017518084.db2.gz GNLLVDMCFCGANU-OPRDCNLKSA-N -1 0 305.352 -0.488 20 0 DBADRM CO[C@H]1CCN(Cc2ccc(S(N)(=O)=O)o2)[C@H](C(=O)[O-])C1 ZINC001599122712 1017518120 /nfs/dbraw/zinc/51/81/20/1017518120.db2.gz CRWFKIFNRUBYER-WPRPVWTQSA-N -1 0 318.351 -0.009 20 0 DBADRM CO[C@H]1CCN(C(=O)[C@@H]2CSCC(=O)N2)[C@H](C(=O)[O-])C1 ZINC001599117863 1017518424 /nfs/dbraw/zinc/51/84/24/1017518424.db2.gz PKVCDTLVDJSTSP-CIUDSAMLSA-N -1 0 302.352 -0.691 20 0 DBADRM CO[C@@H]1CCN(Cc2ccc(S(N)(=O)=O)o2)[C@@H](C(=O)[O-])C1 ZINC001599122709 1017518714 /nfs/dbraw/zinc/51/87/14/1017518714.db2.gz CRWFKIFNRUBYER-PSASIEDQSA-N -1 0 318.351 -0.009 20 0 DBADRM CO[C@@H]1CCN(CC(=O)N=[S@](C)(=O)N(C)C)[C@H](C(=O)[O-])C1 ZINC001599121541 1017519043 /nfs/dbraw/zinc/51/90/43/1017519043.db2.gz BQRMPTDTSAHSRQ-ULQSSITMSA-N -1 0 321.399 -0.349 20 0 DBADRM CO[C@@H]1CCN(C(=O)CS(=O)(=O)C2CC2)[C@H](C(=O)[O-])C1 ZINC001599120872 1017519104 /nfs/dbraw/zinc/51/91/04/1017519104.db2.gz YEMPWJDYUUCWDT-SCZZXKLOSA-N -1 0 305.352 -0.346 20 0 DBADRM CO[C@@H]1CN(C(=O)c2nc3n(n2)CCCN3)[C@@](C)(C(=O)[O-])C1 ZINC001599132099 1017520385 /nfs/dbraw/zinc/52/03/85/1017520385.db2.gz QFSZRMSFOLUBHR-ISVAXAHUSA-N -1 0 309.326 -0.945 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)C[C@H]2CCOC2)[C@@H](C(=O)[O-])C1 ZINC001599124241 1017520525 /nfs/dbraw/zinc/52/05/25/1017520525.db2.gz PRZNXUSOPVGEGD-HBNTYKKESA-N -1 0 307.368 -0.083 20 0 DBADRM CO[C@H]1CCN(Cc2coc(S(N)(=O)=O)c2)[C@@H](C(=O)[O-])C1 ZINC001599125124 1017521378 /nfs/dbraw/zinc/52/13/78/1017521378.db2.gz VVQSEASYAWGNMS-VHSXEESVSA-N -1 0 318.351 -0.009 20 0 DBADRM CO[C@@H]1COCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001599137541 1017522594 /nfs/dbraw/zinc/52/25/94/1017522594.db2.gz CFRGFPLMCJLCQV-IONNQARKSA-N -1 0 319.339 -0.562 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001599137543 1017524606 /nfs/dbraw/zinc/52/46/06/1017524606.db2.gz CFRGFPLMCJLCQV-VXNVDRBHSA-N -1 0 319.339 -0.562 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(C(=O)[O-])n1C ZINC001599140016 1017525837 /nfs/dbraw/zinc/52/58/37/1017525837.db2.gz NAWZIPUBYCLTJE-XCBNKYQSSA-N -1 0 316.335 -0.735 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=S)NCCCC(=O)[O-] ZINC001599141215 1017528268 /nfs/dbraw/zinc/52/82/68/1017528268.db2.gz TYQANJMYHGELID-SFYZADRCSA-N -1 0 310.397 -0.873 20 0 DBADRM COCC(=O)N1CCN([C@@H](CCC(=O)[O-])C(=O)OC)CC1 ZINC001599140135 1017526294 /nfs/dbraw/zinc/52/62/94/1017526294.db2.gz WTZYCGKATBVRBB-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001599146884 1017531110 /nfs/dbraw/zinc/53/11/10/1017531110.db2.gz ZUIVUJPFDCIYLW-ZWNOBZJWSA-N -1 0 302.327 -0.770 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599137914 1017526545 /nfs/dbraw/zinc/52/65/45/1017526545.db2.gz DYDNXSUEFMXMMU-IONNQARKSA-N -1 0 317.319 -0.172 20 0 DBADRM COCC(=O)N1CCN(C(=O)c2cc(C(=O)[O-])nn2C)CC1 ZINC001599139908 1017526728 /nfs/dbraw/zinc/52/67/28/1017526728.db2.gz QNMMAKZHJFZWBZ-UHFFFAOYSA-N -1 0 310.310 -0.951 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(C(=O)[O-])n1C ZINC001599140017 1017526902 /nfs/dbraw/zinc/52/69/02/1017526902.db2.gz NAWZIPUBYCLTJE-XVKPBYJWSA-N -1 0 316.335 -0.735 20 0 DBADRM COCC(=O)N1CCN(c2ncnc(C(=O)[O-])c2OC)CC1 ZINC001599140122 1017526980 /nfs/dbraw/zinc/52/69/80/1017526980.db2.gz WEQLWVXWGPQLFY-UHFFFAOYSA-N -1 0 310.310 -0.522 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001599141680 1017527487 /nfs/dbraw/zinc/52/74/87/1017527487.db2.gz YGTPLQQMDUKBGB-HBNTYKKESA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1ccc(C(=O)[O-])n1C ZINC001599142165 1017527750 /nfs/dbraw/zinc/52/77/50/1017527750.db2.gz YWJGNRRIXZLWAR-MWLCHTKSSA-N -1 0 302.352 -0.375 20 0 DBADRM COCC(=O)NCCC(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC001599142361 1017527838 /nfs/dbraw/zinc/52/78/38/1017527838.db2.gz AICJHKWUMVLXPH-VIFPVBQESA-N -1 0 315.351 -0.592 20 0 DBADRM COCC(=O)N(C)CC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC001599142029 1017528066 /nfs/dbraw/zinc/52/80/66/1017528066.db2.gz WUSQNMRYFAVMDA-NOZJJQNGSA-N -1 0 302.327 -0.818 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC001599141448 1017528078 /nfs/dbraw/zinc/52/80/78/1017528078.db2.gz OCSNVWNNCJFXKK-GFCCVEGCSA-N -1 0 302.327 -0.913 20 0 DBADRM COCC(=O)N[C@H](C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)C(C)C ZINC001599143271 1017528114 /nfs/dbraw/zinc/52/81/14/1017528114.db2.gz XWEJCRUBIZAVKV-HGNGGELXSA-N -1 0 322.308 -0.144 20 0 DBADRM COCC(=O)NC[C@@H]1[C@H]2CN(c3ncc(C(=O)[O-])cn3)C[C@H]21 ZINC001599143135 1017528707 /nfs/dbraw/zinc/52/87/07/1017528707.db2.gz NHCUBESEMFSSCF-RTCCRHLQSA-N -1 0 306.322 -0.380 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@@H](CC(=O)[O-])c1ccncc1 ZINC001599140543 1017528951 /nfs/dbraw/zinc/52/89/51/1017528951.db2.gz BQJCISRTJJYRKY-NSHDSACASA-N -1 0 309.322 -0.182 20 0 DBADRM COCC(=O)N(C)CC(=O)O[C@H](C)C(=O)C(C)(C)C(=O)[O-] ZINC001599140900 1017529067 /nfs/dbraw/zinc/52/90/67/1017529067.db2.gz GYSBARGUTUQLRJ-MRVPVSSYSA-N -1 0 303.311 -0.297 20 0 DBADRM COCC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(C(=O)[O-])n3)C[C@H]21 ZINC001599143495 1017529080 /nfs/dbraw/zinc/52/90/80/1017529080.db2.gz UFVQMVBFIUYPPU-OWUUHHOZSA-N -1 0 306.322 -0.380 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001599142110 1017529093 /nfs/dbraw/zinc/52/90/93/1017529093.db2.gz ZDLJOVUAMRKJSB-OAHLLOKOSA-N -1 0 323.349 -0.008 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001599147833 1017529822 /nfs/dbraw/zinc/52/98/22/1017529822.db2.gz UKQMNFRXYMGKMH-BXKDBHETSA-N -1 0 322.383 -0.305 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001599148321 1017530164 /nfs/dbraw/zinc/53/01/64/1017530164.db2.gz KHURGPDTPWCJLK-GFCCVEGCSA-N -1 0 315.282 -0.494 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)C1CCS(=O)(=O)CC1 ZINC001599146611 1017530975 /nfs/dbraw/zinc/53/09/75/1017530975.db2.gz XTRWFJKFUXQSLA-GFCCVEGCSA-N -1 0 307.368 -0.193 20 0 DBADRM COC[C@](C)(NC(=O)CCCCCS(N)(=O)=O)C(=O)[O-] ZINC001599153352 1017531801 /nfs/dbraw/zinc/53/18/01/1017531801.db2.gz QPPYBBXTBMZQSH-NSHDSACASA-N -1 0 310.372 -0.559 20 0 DBADRM COC[C@@](C)(NCC(=O)NC1CCN(C(C)=O)CC1)C(=O)[O-] ZINC001599154009 1017531969 /nfs/dbraw/zinc/53/19/69/1017531969.db2.gz FUVPEQRVHPHQMX-CQSZACIVSA-N -1 0 315.370 -0.807 20 0 DBADRM COC[C@@](C)(NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C(=O)OC ZINC001599151952 1017532316 /nfs/dbraw/zinc/53/23/16/1017532316.db2.gz JWLMGXBAYSRHIZ-WBPNIITGSA-N -1 0 303.311 -0.441 20 0 DBADRM COC[C@@](C)(NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C(=O)[O-] ZINC001599152423 1017532328 /nfs/dbraw/zinc/53/23/28/1017532328.db2.gz PRYIRNWYZVVUIF-JXTJILHLSA-N -1 0 313.306 -0.687 20 0 DBADRM COC[C@](C)(NC(=O)c1oc(S(N)(=O)=O)cc1C)C(=O)[O-] ZINC001599153969 1017532341 /nfs/dbraw/zinc/53/23/41/1017532341.db2.gz FOEMTSDUBUYNPY-NSHDSACASA-N -1 0 320.323 -0.545 20 0 DBADRM COC/C(C)=C\C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001599155801 1017532851 /nfs/dbraw/zinc/53/28/51/1017532851.db2.gz NPDDKDRQFQNZHT-HYHWUIIZSA-N -1 0 305.352 -0.321 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001599155721 1017533160 /nfs/dbraw/zinc/53/31/60/1017533160.db2.gz LPXHPXUGZSKVQC-LLVKDONJSA-N -1 0 304.324 -0.545 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001599156551 1017534505 /nfs/dbraw/zinc/53/45/05/1017534505.db2.gz MHNOIIKFZQRNHV-HOSYDEDBSA-N -1 0 309.384 -0.053 20 0 DBADRM COCC(COC)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001599164578 1017536640 /nfs/dbraw/zinc/53/66/40/1017536640.db2.gz NFFJNIJRILOWQW-UHFFFAOYSA-N -1 0 310.354 -0.042 20 0 DBADRM COC[C@H](CCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)OC ZINC001599162813 1017536741 /nfs/dbraw/zinc/53/67/41/1017536741.db2.gz KXGRTBIVSUWJLH-WDEREUQCSA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@H](CN1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O)OC ZINC001599163368 1017537672 /nfs/dbraw/zinc/53/76/72/1017537672.db2.gz GWTDRNNIQYTTJC-LPEHRKFASA-N -1 0 300.311 -0.225 20 0 DBADRM COC[C@@H](NC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)[O-] ZINC001599167145 1017539147 /nfs/dbraw/zinc/53/91/47/1017539147.db2.gz IEZQLUDUNKPRDS-KOLCDFICSA-N -1 0 308.290 -0.008 20 0 DBADRM COC[C@H](NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1)C(N)=O ZINC001599167346 1017539323 /nfs/dbraw/zinc/53/93/23/1017539323.db2.gz RTWJIEUHRPKKEY-ZIBATOQPSA-N -1 0 306.318 -0.139 20 0 DBADRM COC[C@@H](NC(=O)CCn1cnc2c1ncnc2N)C(=O)[O-] ZINC001599168431 1017539336 /nfs/dbraw/zinc/53/93/36/1017539336.db2.gz APPZWXLNBBXAKN-SSDOTTSWSA-N -1 0 308.298 -0.986 20 0 DBADRM COC[C@H](CS(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1)OC ZINC001599166056 1017539376 /nfs/dbraw/zinc/53/93/76/1017539376.db2.gz KMACMPGPDFWCOF-VHSXEESVSA-N -1 0 311.356 -0.847 20 0 DBADRM COC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC001599167885 1017539890 /nfs/dbraw/zinc/53/98/90/1017539890.db2.gz VQGQYNFJMGIAHD-JGVFFNPUSA-N -1 0 310.372 -0.834 20 0 DBADRM COC[C@H](CS(=O)(=O)N1CCSC[C@@H]1C(=O)[O-])OC ZINC001599166499 1017540367 /nfs/dbraw/zinc/54/03/67/1017540367.db2.gz OFECQMHZIKHZEU-RKDXNWHRSA-N -1 0 313.397 -0.520 20 0 DBADRM COC[C@@H](NC(=O)COCCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001599169330 1017541179 /nfs/dbraw/zinc/54/11/79/1017541179.db2.gz VMGZUBLRQOGECI-SECBINFHSA-N -1 0 320.342 -0.257 20 0 DBADRM COC[C@@H](NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1)C(C)C ZINC001599169722 1017541852 /nfs/dbraw/zinc/54/18/52/1017541852.db2.gz NNDAZRKBAPTXDO-GHMZBOCLSA-N -1 0 316.354 -0.524 20 0 DBADRM COC[C@H](NC(=O)Cn1cc(C(N)=O)c2ccccc21)C(=O)[O-] ZINC001599170721 1017542073 /nfs/dbraw/zinc/54/20/73/1017542073.db2.gz YDIXNVGKGVGORR-NSHDSACASA-N -1 0 319.317 -0.044 20 0 DBADRM COC[C@H](NS(=O)(=O)C[C@H](OC)[C@@H]1CCOC1)C(=O)[O-] ZINC001599177086 1017544803 /nfs/dbraw/zinc/54/48/03/1017544803.db2.gz VKJINHBQTLMAGM-UTLUCORTSA-N -1 0 311.356 -0.943 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CCCN1C(=O)NC(C)C)C(=O)[O-] ZINC001599170901 1017542557 /nfs/dbraw/zinc/54/25/57/1017542557.db2.gz DMUZAEMCCSJUGT-UWVGGRQHSA-N -1 0 301.343 -0.215 20 0 DBADRM COC[C@@H](NC(=O)CCCn1ccc(C(=O)OC)n1)C(=O)[O-] ZINC001599169004 1017542609 /nfs/dbraw/zinc/54/26/09/1017542609.db2.gz NUXCNKRXMHSGPV-SNVBAGLBSA-N -1 0 313.310 -0.334 20 0 DBADRM COC[C@H](NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(N)=O ZINC001599176730 1017543328 /nfs/dbraw/zinc/54/33/28/1017543328.db2.gz PUDQJWGNCHFKOI-JTQLQIEISA-N -1 0 316.335 -0.696 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)C(=O)OC ZINC001599178076 1017543897 /nfs/dbraw/zinc/54/38/97/1017543897.db2.gz IYOYYCNXAMHKSR-SECBINFHSA-N -1 0 318.307 -0.754 20 0 DBADRM COC[C@H](NC(=O)c1cn(C)nc1-c1cnn(C)c1)C(=O)[O-] ZINC001599175949 1017544673 /nfs/dbraw/zinc/54/46/73/1017544673.db2.gz RJPZDCZKJXJYGN-JTQLQIEISA-N -1 0 307.310 -0.350 20 0 DBADRM COC[C@@H](NC(=O)c1ccccc1OCC(=O)N(C)C)C(=O)[O-] ZINC001599175738 1017544929 /nfs/dbraw/zinc/54/49/29/1017544929.db2.gz VJBWZLQSGIIOTG-LLVKDONJSA-N -1 0 324.333 -0.017 20 0 DBADRM COC[C@H](NS(=O)(=O)C[C@H](OC)[C@H]1CCOC1)C(=O)[O-] ZINC001599177081 1017545100 /nfs/dbraw/zinc/54/51/00/1017545100.db2.gz VKJINHBQTLMAGM-GUBZILKMSA-N -1 0 311.356 -0.943 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001599182503 1017545826 /nfs/dbraw/zinc/54/58/26/1017545826.db2.gz OLILJRBQMHDQCQ-WDEREUQCSA-N -1 0 324.337 -0.469 20 0 DBADRM COC[C@H](OC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-] ZINC001599180509 1017546186 /nfs/dbraw/zinc/54/61/86/1017546186.db2.gz NCWCGIZIWPEBCK-XVMARJQXSA-N -1 0 302.201 -0.025 20 0 DBADRM COC[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)[O-] ZINC001599185632 1017546443 /nfs/dbraw/zinc/54/64/43/1017546443.db2.gz VEVKYFRUBVFZIO-SECBINFHSA-N -1 0 320.323 -0.479 20 0 DBADRM COC[C@H](OC)C(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001599187071 1017546592 /nfs/dbraw/zinc/54/65/92/1017546592.db2.gz NHAFSMKDJGQIJI-KOLCDFICSA-N -1 0 317.338 -0.097 20 0 DBADRM COC[C@H](OC)C(=O)NC[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001599180674 1017546728 /nfs/dbraw/zinc/54/67/28/1017546728.db2.gz AEDINIZOBNPNTA-WPRPVWTQSA-N -1 0 312.326 -0.247 20 0 DBADRM COC[C@]1(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CCOC1 ZINC001599183666 1017547702 /nfs/dbraw/zinc/54/77/02/1017547702.db2.gz ILZHTOWVWJQBSW-IINYFYTJSA-N -1 0 317.338 -0.238 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC001599191264 1017548319 /nfs/dbraw/zinc/54/83/19/1017548319.db2.gz WXCJWOIUOGYNNJ-ZDMBXUJBSA-N -1 0 300.311 -0.889 20 0 DBADRM COC[C@H](OC)C(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001599188263 1017548834 /nfs/dbraw/zinc/54/88/34/1017548834.db2.gz YKOJYJMMXKWWLN-ZJUUUORDSA-N -1 0 303.311 -0.343 20 0 DBADRM COC[C@H](OC)C(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001599188251 1017548896 /nfs/dbraw/zinc/54/88/96/1017548896.db2.gz YKOJYJMMXKWWLN-UWVGGRQHSA-N -1 0 303.311 -0.343 20 0 DBADRM COCC1(CS(=O)(=O)N[C@H](CC(=O)[O-])C(=O)OC)CCC1 ZINC001599200738 1017550312 /nfs/dbraw/zinc/55/03/12/1017550312.db2.gz IDZPBWAYKNYTPZ-SECBINFHSA-N -1 0 323.367 -0.261 20 0 DBADRM COC[C@H]1CCCN1C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599203535 1017550581 /nfs/dbraw/zinc/55/05/81/1017550581.db2.gz ICTLBEODOLQCMP-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM COC[C@]1(CO)CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001599201178 1017550684 /nfs/dbraw/zinc/55/06/84/1017550684.db2.gz REEQKTQVZZDKGJ-NTZNESFSSA-N -1 0 321.395 -0.100 20 0 DBADRM COCC1(S(=O)(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001599201413 1017550743 /nfs/dbraw/zinc/55/07/43/1017550743.db2.gz FREMUHBBUYDBNV-UHFFFAOYSA-N -1 0 316.339 -0.658 20 0 DBADRM COCC1(CNC(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)CC1 ZINC001599198205 1017550766 /nfs/dbraw/zinc/55/07/66/1017550766.db2.gz DVQKLTCRGJOYNT-UHFFFAOYSA-N -1 0 324.337 -0.243 20 0 DBADRM COC[C@@]1(CO)CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001599201328 1017550838 /nfs/dbraw/zinc/55/08/38/1017550838.db2.gz SLZPUTATOIARDR-LBPRGKRZSA-N -1 0 318.351 -0.268 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2C[C@@H](C)O[C@@H](C(=O)[O-])C2)C1=O ZINC001599195086 1017551603 /nfs/dbraw/zinc/55/16/03/1017551603.db2.gz MBEHGVPMRXOWNY-JRKPZEMJSA-N -1 0 315.326 -0.925 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])C1 ZINC001599201219 1017551696 /nfs/dbraw/zinc/55/16/96/1017551696.db2.gz DLHKUVARIKRFIX-UHFFFAOYSA-N -1 0 319.310 -0.094 20 0 DBADRM COC[C@@H]1CCN1C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001599207728 1017553029 /nfs/dbraw/zinc/55/30/29/1017553029.db2.gz ZSZNAUKJEFXFCS-VIFPVBQESA-N -1 0 310.310 -0.538 20 0 DBADRM COC[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599203905 1017553137 /nfs/dbraw/zinc/55/31/37/1017553137.db2.gz PQYRPZNEKKXVLH-MXWKQRLJSA-N -1 0 314.338 -0.676 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C[C@H](C)O1 ZINC001599206244 1017553292 /nfs/dbraw/zinc/55/32/92/1017553292.db2.gz FCWYIGXLJKMUOT-MMWGEVLESA-N -1 0 314.338 -0.914 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)C(N)=O ZINC001599218157 1017557155 /nfs/dbraw/zinc/55/71/55/1017557155.db2.gz GHYJPLHJUALPIV-ZCFIWIBFSA-N -1 0 306.296 -0.854 20 0 DBADRM COC[C@H]1CN(Cn2nc(C(=O)OC)cc2C(=O)[O-])CCO1 ZINC001599204686 1017553442 /nfs/dbraw/zinc/55/34/42/1017553442.db2.gz AFLAGZUZLNVZQD-SECBINFHSA-N -1 0 313.310 -0.327 20 0 DBADRM COC[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001599205383 1017553472 /nfs/dbraw/zinc/55/34/72/1017553472.db2.gz JVTMMXCXIJOROQ-MXWKQRLJSA-N -1 0 314.338 -0.818 20 0 DBADRM COCC[C@H](NC(=O)CCn1c(C)cc(O)cc1=O)C(=O)[O-] ZINC001599214146 1017554759 /nfs/dbraw/zinc/55/47/59/1017554759.db2.gz CZJRIRFOYDGBQG-NSHDSACASA-N -1 0 312.322 -0.142 20 0 DBADRM COCC[C@@H](NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1)C(=O)[O-] ZINC001599214246 1017555183 /nfs/dbraw/zinc/55/51/83/1017555183.db2.gz BXKVAUVDNRNTSI-MWLCHTKSSA-N -1 0 310.310 -0.481 20 0 DBADRM COC/C=C/C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001599208371 1017555542 /nfs/dbraw/zinc/55/55/42/1017555542.db2.gz OTEQKNDTULNIPD-NSCUHMNNSA-N -1 0 305.352 -0.273 20 0 DBADRM COCC[C@@H](C)NC(=O)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001599210813 1017555566 /nfs/dbraw/zinc/55/55/66/1017555566.db2.gz ZFLLAEHKGKVZAP-NXEZZACHSA-N -1 0 318.395 -0.196 20 0 DBADRM COCC[C@@H](COC)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001599211460 1017555693 /nfs/dbraw/zinc/55/56/93/1017555693.db2.gz KQOVWKNWJDYCIR-JTQLQIEISA-N -1 0 312.322 -0.286 20 0 DBADRM COCC[C@H](C)NC(=O)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001599210816 1017556037 /nfs/dbraw/zinc/55/60/37/1017556037.db2.gz ZFLLAEHKGKVZAP-VHSXEESVSA-N -1 0 318.395 -0.196 20 0 DBADRM COCC[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)C)C(=O)[O-] ZINC001599214343 1017556046 /nfs/dbraw/zinc/55/60/46/1017556046.db2.gz UNTUJYOKPWGPPK-DTWKUNHWSA-N -1 0 310.372 -0.834 20 0 DBADRM COCC[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599210330 1017556073 /nfs/dbraw/zinc/55/60/73/1017556073.db2.gz IREXPAMOTWWCMC-ZJUUUORDSA-N -1 0 302.327 -0.770 20 0 DBADRM COCC[C@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-] ZINC001599217951 1017557472 /nfs/dbraw/zinc/55/74/72/1017557472.db2.gz AYUKKXDOMJPPQE-JTQLQIEISA-N -1 0 310.372 -0.579 20 0 DBADRM COCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)[O-] ZINC001599217914 1017557541 /nfs/dbraw/zinc/55/75/41/1017557541.db2.gz WSJKRONXBMYPPU-SNVBAGLBSA-N -1 0 306.274 -0.210 20 0 DBADRM COCC[C@H](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001599217648 1017557905 /nfs/dbraw/zinc/55/79/05/1017557905.db2.gz LRFQOQKSIWLAEN-UWVGGRQHSA-N -1 0 320.367 -0.841 20 0 DBADRM COCC[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OC ZINC001599217982 1017557948 /nfs/dbraw/zinc/55/79/48/1017557948.db2.gz BAFCCECFIRVNBL-YIZRAAEISA-N -1 0 309.340 -0.653 20 0 DBADRM COCC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)cn1)C(=O)[O-] ZINC001599215905 1017558087 /nfs/dbraw/zinc/55/80/87/1017558087.db2.gz DPMWLDPKEWYENE-VIFPVBQESA-N -1 0 306.282 -0.519 20 0 DBADRM COCC[C@H](NC(=O)c1ccnc(N2CCOCC2)n1)C(=O)[O-] ZINC001599217065 1017558198 /nfs/dbraw/zinc/55/81/98/1017558198.db2.gz DHTFUEFCHZUWND-NSHDSACASA-N -1 0 324.337 -0.467 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC ZINC001599219633 1017558323 /nfs/dbraw/zinc/55/83/23/1017558323.db2.gz TUOUJSBSBBYKLP-MRVPVSSYSA-N -1 0 321.307 -0.166 20 0 DBADRM COCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-] ZINC001599215059 1017558862 /nfs/dbraw/zinc/55/88/62/1017558862.db2.gz IFTNSUZLNBNKKY-SCZZXKLOSA-N -1 0 310.310 -0.632 20 0 DBADRM COCCC1(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC001599218256 1017558933 /nfs/dbraw/zinc/55/89/33/1017558933.db2.gz KWBJMCJVYLJACP-JTQLQIEISA-N -1 0 314.338 -0.769 20 0 DBADRM COCCCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccn(C)n1 ZINC001599222407 1017559725 /nfs/dbraw/zinc/55/97/25/1017559725.db2.gz GOQCVSHZTLDNSM-JTQLQIEISA-N -1 0 305.356 -0.108 20 0 DBADRM COCCCCS(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001599223888 1017560191 /nfs/dbraw/zinc/56/01/91/1017560191.db2.gz VNARHQFWMPZXAI-UHFFFAOYSA-N -1 0 318.355 -0.411 20 0 DBADRM COCCCCS(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599223272 1017560540 /nfs/dbraw/zinc/56/05/40/1017560540.db2.gz NLELXVDJEBDMOQ-NSHDSACASA-N -1 0 309.384 -0.100 20 0 DBADRM COCCCN(CCO)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001599222478 1017561517 /nfs/dbraw/zinc/56/15/17/1017561517.db2.gz TUFMHYIJVSCPOT-UHFFFAOYSA-N -1 0 300.315 -0.019 20 0 DBADRM COCCCNC(=O)CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599226543 1017561554 /nfs/dbraw/zinc/56/15/54/1017561554.db2.gz ARBWKVOQTUCMII-JTQLQIEISA-N -1 0 311.342 -0.624 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cc(N2CCOCC2)ncn1 ZINC001599234112 1017562592 /nfs/dbraw/zinc/56/25/92/1017562592.db2.gz QWOOYJVBJHSGQQ-UHFFFAOYSA-N -1 0 324.337 -0.514 20 0 DBADRM COCCCn1ccc(NC(=O)C(=O)NC2(C(=O)[O-])CC2)n1 ZINC001599230037 1017563145 /nfs/dbraw/zinc/56/31/45/1017563145.db2.gz RIQYTDQXCKBLEW-UHFFFAOYSA-N -1 0 310.310 -0.409 20 0 DBADRM COCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H]1CCOC1 ZINC001599233680 1017563271 /nfs/dbraw/zinc/56/32/71/1017563271.db2.gz UDWMFBOYNJPFSQ-YPMHNXCESA-N -1 0 302.371 -0.051 20 0 DBADRM COCCN([C@@H]1CCOC1)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001599230761 1017564215 /nfs/dbraw/zinc/56/42/15/1017564215.db2.gz ADIBUVDKTOPEEW-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM COCCN(CC(=O)N[C@H](CO)C(=O)[O-])C(=O)OC(C)(C)C ZINC001599233512 1017564504 /nfs/dbraw/zinc/56/45/04/1017564504.db2.gz OZEMXUMMYPBARZ-SECBINFHSA-N -1 0 320.342 -0.568 20 0 DBADRM COCCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])nn2)C1 ZINC001599240612 1017567122 /nfs/dbraw/zinc/56/71/22/1017567122.db2.gz RHINFZCKGOKPNP-VXGBXAGGSA-N -1 0 323.353 -0.882 20 0 DBADRM COCCN1C[C@H](C(=O)Nc2ccc(C(=O)[O-])nn2)CC1=O ZINC001599240877 1017567866 /nfs/dbraw/zinc/56/78/66/1017567866.db2.gz SYHVRNSMMSSDLB-MRVPVSSYSA-N -1 0 308.294 -0.392 20 0 DBADRM COCCN1CC(n2cc(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])nn2)C1 ZINC001599240611 1017567891 /nfs/dbraw/zinc/56/78/91/1017567891.db2.gz RHINFZCKGOKPNP-RYUDHWBXSA-N -1 0 323.353 -0.882 20 0 DBADRM COCCN1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CC1=O ZINC001599241330 1017568600 /nfs/dbraw/zinc/56/86/00/1017568600.db2.gz CQFCRQCFBPFUJL-UHFFFAOYSA-N -1 0 320.367 -0.681 20 0 DBADRM COCC[NH+]1CCC(NC(=O)c2cc(C(=O)[O-])nn2C)CC1 ZINC001599244068 1017569167 /nfs/dbraw/zinc/56/91/67/1017569167.db2.gz SNYYLYRJFXVYJE-UHFFFAOYSA-N -1 0 310.354 -0.041 20 0 DBADRM COCCN1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1=O ZINC001599242435 1017569478 /nfs/dbraw/zinc/56/94/78/1017569478.db2.gz DMLOMRVULIRFNM-WDEREUQCSA-N -1 0 314.338 -0.469 20 0 DBADRM COCCOCC(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001599249998 1017570523 /nfs/dbraw/zinc/57/05/23/1017570523.db2.gz RRQAFCDOZTVWMP-SNVBAGLBSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001599249250 1017570553 /nfs/dbraw/zinc/57/05/53/1017570553.db2.gz FKYQUSYPRZLPKK-OUAUKWLOSA-N -1 0 316.354 -0.667 20 0 DBADRM COCCNc1nc(CC(=O)NCC[C@H](O)C(=O)[O-])cs1 ZINC001599246319 1017570597 /nfs/dbraw/zinc/57/05/97/1017570597.db2.gz MGMDAZJZWVJXAR-VIFPVBQESA-N -1 0 317.367 -0.304 20 0 DBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001599246363 1017570846 /nfs/dbraw/zinc/57/08/46/1017570846.db2.gz GYLFACIEVPZTSE-MXWKQRLJSA-N -1 0 322.333 -0.536 20 0 DBADRM COCCOC[C@H]1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001599249315 1017570959 /nfs/dbraw/zinc/57/09/59/1017570959.db2.gz GBJLADOQWXECBF-JTQLQIEISA-N -1 0 312.326 -0.512 20 0 DBADRM COCCOC[C@H](C)NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599249780 1017571140 /nfs/dbraw/zinc/57/11/40/1017571140.db2.gz NWPTVPKJHIWZTJ-CMPLNLGQSA-N -1 0 318.370 -0.095 20 0 DBADRM COCCOC[C@@H](C)N1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC001599250099 1017571197 /nfs/dbraw/zinc/57/11/97/1017571197.db2.gz UWLIPVNUPWGNKO-KYXWUPHJSA-N -1 0 300.311 -0.321 20 0 DBADRM COCCOC[C@@H](C)NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001599249248 1017571907 /nfs/dbraw/zinc/57/19/07/1017571907.db2.gz FKYQUSYPRZLPKK-GMTAPVOTSA-N -1 0 316.354 -0.667 20 0 DBADRM COCCOC1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001599248624 1017571938 /nfs/dbraw/zinc/57/19/38/1017571938.db2.gz CTGVLNOEQXGEOS-MWLCHTKSSA-N -1 0 302.327 -0.467 20 0 DBADRM COCCOC[C@H](C)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001599249973 1017572146 /nfs/dbraw/zinc/57/21/46/1017572146.db2.gz QPYLRDDASUHJOP-JTQLQIEISA-N -1 0 312.322 -0.286 20 0 DBADRM COCCOC[C@@H](C)NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599249809 1017572164 /nfs/dbraw/zinc/57/21/64/1017572164.db2.gz ONLMZMHXMMTMCQ-VWYCJHECSA-N -1 0 304.343 -0.079 20 0 DBADRM COCCOCCCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001599250288 1017572175 /nfs/dbraw/zinc/57/21/75/1017572175.db2.gz ABURFOGZYWXTID-LLVKDONJSA-N -1 0 316.354 -0.521 20 0 DBADRM COCCOC1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001599248928 1017572361 /nfs/dbraw/zinc/57/23/61/1017572361.db2.gz FLFUCTQGEWIQEI-UHFFFAOYSA-N -1 0 305.312 -0.856 20 0 DBADRM COCCOCc1nnc(N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)n1C ZINC001599252552 1017572883 /nfs/dbraw/zinc/57/28/83/1017572883.db2.gz OMEDFLVHYQUWGX-NXEZZACHSA-N -1 0 314.342 -0.344 20 0 DBADRM COCCOCc1nnc(N2CCO[C@@H](CC(=O)[O-])C2)n1C ZINC001599252076 1017573196 /nfs/dbraw/zinc/57/31/96/1017573196.db2.gz ALBCDUZCXMXAOE-JTQLQIEISA-N -1 0 314.342 -0.342 20 0 DBADRM COCCOCCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001599250949 1017573534 /nfs/dbraw/zinc/57/35/34/1017573534.db2.gz KJBWYBXTQAKJRO-GHMZBOCLSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCOCCN(CCO)C(=O)c1cc(C(=O)[O-])ccn1 ZINC001599250603 1017573766 /nfs/dbraw/zinc/57/37/66/1017573766.db2.gz KLYQGCLBJVRGLA-UHFFFAOYSA-N -1 0 312.322 -0.123 20 0 DBADRM COCCONC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001599252257 1017574152 /nfs/dbraw/zinc/57/41/52/1017574152.db2.gz JIDAGXJAYPBUJV-CYBMUJFWSA-N -1 0 317.342 -0.865 20 0 DBADRM COCCOCCN(CCO)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001599250817 1017574208 /nfs/dbraw/zinc/57/42/08/1017574208.db2.gz ZBPIHJZKLGIXAJ-UHFFFAOYSA-N -1 0 312.322 -0.123 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001599261865 1017574362 /nfs/dbraw/zinc/57/43/62/1017574362.db2.gz CSONIWMLZSOKQI-GFCCVEGCSA-N -1 0 307.368 -0.239 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@H]1C[C@H](C(=O)[O-])[C@H]2C[C@H]21 ZINC001599261872 1017574669 /nfs/dbraw/zinc/57/46/69/1017574669.db2.gz CWZPFZCGEBKWKV-QCLAVDOMSA-N -1 0 305.352 -0.727 20 0 DBADRM COCCOc1cc(C(=O)NCC(=O)NCC(=O)[O-])ccn1 ZINC001599254283 1017574725 /nfs/dbraw/zinc/57/47/25/1017574725.db2.gz SHTLAJKAUOMDLD-UHFFFAOYSA-N -1 0 311.294 -0.963 20 0 DBADRM COCCc1cc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)n(C)n1 ZINC001599266383 1017575658 /nfs/dbraw/zinc/57/56/58/1017575658.db2.gz SODIQQIFSXJKDE-ZDUSSCGKSA-N -1 0 312.326 -0.338 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)n1 ZINC001599270940 1017576404 /nfs/dbraw/zinc/57/64/04/1017576404.db2.gz GARXEQXCMCNWSK-UHFFFAOYSA-N -1 0 310.310 -0.409 20 0 DBADRM COCCc1noc(CN2[C@@H](C(=O)[O-])CCS2(=O)=O)n1 ZINC001599264947 1017576555 /nfs/dbraw/zinc/57/65/55/1017576555.db2.gz LBKZOHQGJCAMSK-SSDOTTSWSA-N -1 0 305.312 -0.753 20 0 DBADRM COCCn1cc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)ccc1=O ZINC001599270105 1017577069 /nfs/dbraw/zinc/57/70/69/1017577069.db2.gz URQGRHSBBQVUSM-RYUDHWBXSA-N -1 0 324.333 -0.598 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)cn1 ZINC001599270542 1017577095 /nfs/dbraw/zinc/57/70/95/1017577095.db2.gz FLAVOZAUDWXTFR-UHFFFAOYSA-N -1 0 322.321 -0.456 20 0 DBADRM COCCn1c(CO)nnc1N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001599268313 1017577182 /nfs/dbraw/zinc/57/71/82/1017577182.db2.gz HXKCUOYUBTWIPU-RKDXNWHRSA-N -1 0 300.315 -0.905 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)NC[C@@H]1C[C@@H]1C(=O)[O-])C2 ZINC001599273491 1017578019 /nfs/dbraw/zinc/57/80/19/1017578019.db2.gz RYHTVGMRCREWRV-UWVGGRQHSA-N -1 0 323.353 -0.287 20 0 DBADRM COCCn1ccc(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)n1 ZINC001599271729 1017578336 /nfs/dbraw/zinc/57/83/36/1017578336.db2.gz PRUWSDQXJAHNSR-QWRGUYRKSA-N -1 0 311.338 -0.003 20 0 DBADRM COCCn1cc(C(=O)N[C@@](C)(COC)CC(=O)[O-])nn1 ZINC001599272666 1017578396 /nfs/dbraw/zinc/57/83/96/1017578396.db2.gz XXPPJRKKGDDQOF-GFCCVEGCSA-N -1 0 300.315 -0.466 20 0 DBADRM COCCn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)nn1 ZINC001599272527 1017578450 /nfs/dbraw/zinc/57/84/50/1017578450.db2.gz RKCGRWHWEAZDLW-SNVBAGLBSA-N -1 0 308.298 -0.786 20 0 DBADRM COCCn1nnc2c1CCN(c1ccnc(C(=O)[O-])n1)C2 ZINC001599273316 1017579092 /nfs/dbraw/zinc/57/90/92/1017579092.db2.gz NWXTZXKUMFUCJF-UHFFFAOYSA-N -1 0 304.310 -0.025 20 0 DBADRM COCCn1ncc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1C ZINC001599274096 1017579101 /nfs/dbraw/zinc/57/91/01/1017579101.db2.gz WVWMSMPOGSDNKC-NWDGAFQWSA-N -1 0 311.338 -0.112 20 0 DBADRM COC[C@@H](O)CNC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001599275664 1017579531 /nfs/dbraw/zinc/57/95/31/1017579531.db2.gz BGRGKCLWPLEASP-JXJNQWLDSA-N -1 0 316.354 -0.295 20 0 DBADRM COCCn1nc(C(=O)NC2CC(CC(=O)[O-])C2)ccc1=O ZINC001599274503 1017579617 /nfs/dbraw/zinc/57/96/17/1017579617.db2.gz ZKTCQZZWSXSPJL-UHFFFAOYSA-N -1 0 309.322 -0.127 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001599276842 1017580420 /nfs/dbraw/zinc/58/04/20/1017580420.db2.gz KZUIUKNBXJEAQR-ZETCQYMHSA-N -1 0 302.308 -0.492 20 0 DBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001599277491 1017580945 /nfs/dbraw/zinc/58/09/45/1017580945.db2.gz CXRNDQDUYKYSCJ-ZETCQYMHSA-N -1 0 306.296 -0.901 20 0 DBADRM COC[C@@H](C)NC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001599278092 1017581033 /nfs/dbraw/zinc/58/10/33/1017581033.db2.gz YCECJVAHLNKNJA-ISTVAULSSA-N -1 0 314.338 -0.913 20 0 DBADRM COCc1nc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cs1 ZINC001599300113 1017581329 /nfs/dbraw/zinc/58/13/29/1017581329.db2.gz WQKZAWCDTSBYTL-MRVPVSSYSA-N -1 0 313.335 -0.343 20 0 DBADRM COCc1ccccc1CNC(=O)CN[C@@](C)(CO)C(=O)[O-] ZINC001599297252 1017581402 /nfs/dbraw/zinc/58/14/02/1017581402.db2.gz ITKURBPHLTUTIJ-HNNXBMFYSA-N -1 0 310.350 -0.126 20 0 DBADRM COCc1cccc(CNC(=O)CN2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC001599295844 1017581577 /nfs/dbraw/zinc/58/15/77/1017581577.db2.gz NJULQLMDSFTLIT-ZIAGYGMSSA-N -1 0 322.361 -0.031 20 0 DBADRM COCc1cc(NC(=O)C(=O)NC[C@H](C)O)cc(C(=O)[O-])c1 ZINC001599284763 1017581587 /nfs/dbraw/zinc/58/15/87/1017581587.db2.gz OGFHLSNDVGJFKQ-QMMMGPOBSA-N -1 0 310.306 -0.033 20 0 DBADRM COCc1cc(C(=O)[O-])cc(S(=O)(=O)NCC(=O)OC)c1 ZINC001599278716 1017581846 /nfs/dbraw/zinc/58/18/46/1017581846.db2.gz BYOWVJGDASHBCY-UHFFFAOYSA-N -1 0 317.319 -0.018 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001599277012 1017581958 /nfs/dbraw/zinc/58/19/58/1017581958.db2.gz BALNNSJHDOOXHC-MRVPVSSYSA-N -1 0 307.299 -0.191 20 0 DBADRM COC[C@H]1C[C@@H](NC(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)C1 ZINC001599277694 1017582070 /nfs/dbraw/zinc/58/20/70/1017582070.db2.gz OSBKNXOBFCYQIK-VLEAKVRGSA-N -1 0 314.338 -0.073 20 0 DBADRM COCc1nc(NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc(OC)n1 ZINC001599302954 1017583320 /nfs/dbraw/zinc/58/33/20/1017583320.db2.gz BIFQCVNQQMHHOJ-DTWKUNHWSA-N -1 0 324.337 -0.120 20 0 DBADRM COCc1nnc(N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)n1C ZINC001599305868 1017583524 /nfs/dbraw/zinc/58/35/24/1017583524.db2.gz AEFWDBPIEREGKW-QMMMGPOBSA-N -1 0 307.314 -0.297 20 0 DBADRM COCc1nccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC001599305201 1017583590 /nfs/dbraw/zinc/58/35/90/1017583590.db2.gz IRFGKUDZQQJFIW-MRVPVSSYSA-N -1 0 308.294 -0.505 20 0 DBADRM COCc1noc(CNCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001599307884 1017583958 /nfs/dbraw/zinc/58/39/58/1017583958.db2.gz HHIFXQCTFOJHPT-IUCAKERBSA-N -1 0 312.326 -0.515 20 0 DBADRM COCc1ncsc1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001599305145 1017584029 /nfs/dbraw/zinc/58/40/29/1017584029.db2.gz DYTVCFQVBHDYHB-MRVPVSSYSA-N -1 0 313.335 -0.343 20 0 DBADRM COCn1nccc1S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001599308745 1017584049 /nfs/dbraw/zinc/58/40/49/1017584049.db2.gz RRPCSHVEYCRPIZ-UHFFFAOYSA-N -1 0 319.339 -0.913 20 0 DBADRM COCc1nn(C)cc1C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599305948 1017584394 /nfs/dbraw/zinc/58/43/94/1017584394.db2.gz VPOVRSAPGLLQQK-GFCCVEGCSA-N -1 0 311.338 -0.136 20 0 DBADRM COCc1nc(NC(=O)[C@H](C)NC(N)=O)sc1C(=O)[O-] ZINC001599302643 1017584841 /nfs/dbraw/zinc/58/48/41/1017584841.db2.gz GZWVTWWOWRZXTC-BYPYZUCNSA-N -1 0 302.312 -0.017 20 0 DBADRM CON1CCC(NC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1 ZINC001599318014 1017585605 /nfs/dbraw/zinc/58/56/05/1017585605.db2.gz BZQGVEULMBBFGC-UHFFFAOYSA-N -1 0 309.322 -0.312 20 0 DBADRM CON1CCC(CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])CC1 ZINC001599318665 1017585634 /nfs/dbraw/zinc/58/56/34/1017585634.db2.gz OQUQNEWMUJUREB-LLVKDONJSA-N -1 0 313.354 -0.548 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001599315631 1017586279 /nfs/dbraw/zinc/58/62/79/1017586279.db2.gz WIWAKEQGASYHMR-RKDXNWHRSA-N -1 0 319.383 -0.146 20 0 DBADRM CON(C(=O)c1cn(C(F)(F)CO)nn1)[C@H](C)CC(=O)[O-] ZINC001599312356 1017586832 /nfs/dbraw/zinc/58/68/32/1017586832.db2.gz CYTKBNLBVHNXOS-ZCFIWIBFSA-N -1 0 308.241 -0.314 20 0 DBADRM CON(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001599315518 1017587216 /nfs/dbraw/zinc/58/72/16/1017587216.db2.gz WEGRJLNKKVQCMP-SSDOTTSWSA-N -1 0 317.323 -0.534 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001599315136 1017587381 /nfs/dbraw/zinc/58/73/81/1017587381.db2.gz NPHAESAEFDWGJC-UHFFFAOYSA-N -1 0 322.383 -0.039 20 0 DBADRM CONC(=O)C1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001599321192 1017588782 /nfs/dbraw/zinc/58/87/82/1017588782.db2.gz VQLJLZDGACNGLR-UHFFFAOYSA-N -1 0 320.367 -0.429 20 0 DBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001599324045 1017590854 /nfs/dbraw/zinc/59/08/54/1017590854.db2.gz NDAJUDBJJPCIFO-NXEZZACHSA-N -1 0 307.368 -0.035 20 0 DBADRM COc1c(F)cc(C(=O)NCC(=O)NCC(=O)[O-])c(N)c1F ZINC001599335158 1017590967 /nfs/dbraw/zinc/59/09/67/1017590967.db2.gz WVKUZERXLSMCPZ-UHFFFAOYSA-N -1 0 317.248 -0.514 20 0 DBADRM CO[C@H]1C[C@@H](Cn2nnnc2N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001599326602 1017591737 /nfs/dbraw/zinc/59/17/37/1017591737.db2.gz LMPRGQPSRZAADP-AXFHLTTASA-N -1 0 311.342 -0.222 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599324195 1017592504 /nfs/dbraw/zinc/59/25/04/1017592504.db2.gz UWTUTVKQVZVGPN-GMTAPVOTSA-N -1 0 302.327 -0.733 20 0 DBADRM COc1cc(C(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])ccn1 ZINC001599354352 1017594140 /nfs/dbraw/zinc/59/41/40/1017594140.db2.gz SCRKZJZQVQFLTO-UWVGGRQHSA-N -1 0 307.306 -0.343 20 0 DBADRM COc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])nn1C ZINC001599351051 1017594257 /nfs/dbraw/zinc/59/42/57/1017594257.db2.gz NZTDGGBHWULABN-VIFPVBQESA-N -1 0 310.310 -0.766 20 0 DBADRM COc1c(NC2CC(NS(C)(=O)=O)C2)ncnc1C(=O)[O-] ZINC001599343680 1017594563 /nfs/dbraw/zinc/59/45/63/1017594563.db2.gz VVYTXNAWDMNNNF-UHFFFAOYSA-N -1 0 316.339 -0.325 20 0 DBADRM COc1c(NC(=O)C(=O)NC2(C(N)=O)CC2)cccc1C(=O)[O-] ZINC001599337320 1017594629 /nfs/dbraw/zinc/59/46/29/1017594629.db2.gz VXAGFZZOLNPWIH-UHFFFAOYSA-N -1 0 321.289 -0.534 20 0 DBADRM COc1c(NC(=O)c2cn(CC(N)=O)nn2)cccc1C(=O)[O-] ZINC001599342555 1017594707 /nfs/dbraw/zinc/59/47/07/1017594707.db2.gz OBDRPZZYAOIIQS-UHFFFAOYSA-N -1 0 319.277 -0.278 20 0 DBADRM COc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)ccn1 ZINC001599351906 1017595199 /nfs/dbraw/zinc/59/51/99/1017595199.db2.gz JYRDFAJYIDHKQS-MNOVXSKESA-N -1 0 319.317 -0.249 20 0 DBADRM COc1cc(NC(=O)C(=O)NC/C=C/CO)ccc1C(=O)[O-] ZINC001599428768 1017596386 /nfs/dbraw/zinc/59/63/86/1017596386.db2.gz BTXTZSWTLMABHJ-NSCUHMNNSA-N -1 0 308.290 -0.003 20 0 DBADRM COc1cc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n(C)n1 ZINC001599435676 1017597963 /nfs/dbraw/zinc/59/79/63/1017597963.db2.gz SAYGZAFFSRSWRJ-QMMMGPOBSA-N -1 0 310.310 -0.310 20 0 DBADRM COc1cc(CS(=O)(=O)C[C@H](NC(C)=O)C(=O)[O-])ccn1 ZINC001599417027 1017598235 /nfs/dbraw/zinc/59/82/35/1017598235.db2.gz OXBBTTWQUHYKPL-JTQLQIEISA-N -1 0 316.335 -0.406 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N(C)CC(N)=O)c1 ZINC001599488179 1017599016 /nfs/dbraw/zinc/59/90/16/1017599016.db2.gz KOXUAPFNGBAGMW-UHFFFAOYSA-N -1 0 309.278 -0.724 20 0 DBADRM COc1cc(NC(=O)NCCC(=O)NCCC(=O)[O-])nn1C ZINC001599438603 1017599483 /nfs/dbraw/zinc/59/94/83/1017599483.db2.gz TVPDEHNQEKTNDC-UHFFFAOYSA-N -1 0 313.314 -0.469 20 0 DBADRM COc1ccc([C@H](NC(=O)[C@H]2CC(=O)N2)C(=O)[O-])c(OC)c1 ZINC001599516442 1017599640 /nfs/dbraw/zinc/59/96/40/1017599640.db2.gz CYFHICIKQSOTAG-SKDRFNHKSA-N -1 0 308.290 -0.166 20 0 DBADRM COc1cc(NCC(=O)N2CCNC(=O)C2)ccc1C(=O)[O-] ZINC001599443462 1017599782 /nfs/dbraw/zinc/59/97/82/1017599782.db2.gz SVOKJDZGLMTIPG-UHFFFAOYSA-N -1 0 307.306 -0.236 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N2CCNC(=O)C2)c1 ZINC001599488601 1017600041 /nfs/dbraw/zinc/60/00/41/1017600041.db2.gz OSHXLIAJTCZQRU-UHFFFAOYSA-N -1 0 321.289 -0.710 20 0 DBADRM COc1cc[nH]c(=O)c1C(=O)NCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001599467203 1017600811 /nfs/dbraw/zinc/60/08/11/1017600811.db2.gz YHNJAPJIDKAOKW-YUMQZZPRSA-N -1 0 323.305 -0.638 20 0 DBADRM COc1ccc(CN2CC[C@H]2C(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001599560432 1017602494 /nfs/dbraw/zinc/60/24/94/1017602494.db2.gz JKFBNMNJWAMRKB-ZDUSSCGKSA-N -1 0 320.345 -0.073 20 0 DBADRM COc1ccc(CNC(=O)NCCC(=O)NCCC(=O)[O-])cn1 ZINC001599567767 1017603013 /nfs/dbraw/zinc/60/30/13/1017603013.db2.gz HHKJKVOASRNFHW-UHFFFAOYSA-N -1 0 324.337 -0.130 20 0 DBADRM COc1ccc(CNC(=O)NCCn2cc(C(=O)[O-])nn2)nc1 ZINC001599567303 1017603337 /nfs/dbraw/zinc/60/33/37/1017603337.db2.gz PPTHOMRDWHZZRI-UHFFFAOYSA-N -1 0 320.309 -0.121 20 0 DBADRM COc1ccc(COCC(=O)NC2(C(=O)[O-])CC(CO)C2)cn1 ZINC001599576160 1017603456 /nfs/dbraw/zinc/60/34/56/1017603456.db2.gz ZGYOLUWHQBLKGT-UHFFFAOYSA-N -1 0 324.333 -0.051 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001599751593 1017619785 /nfs/dbraw/zinc/61/97/85/1017619785.db2.gz RYCHUJRUKWTHCV-UHFFFAOYSA-N -1 0 314.366 -0.836 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)cn1 ZINC001599588002 1017603729 /nfs/dbraw/zinc/60/37/29/1017603729.db2.gz HOBDSYYRTYJPMB-CQSZACIVSA-N -1 0 323.305 -0.269 20 0 DBADRM COc1ccc(CCS(=O)(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC001599555888 1017603912 /nfs/dbraw/zinc/60/39/12/1017603912.db2.gz KPBKUGQSSSANKI-NSHDSACASA-N -1 0 303.336 -0.397 20 0 DBADRM COc1ccc(CNC(=O)CN2CCOCC2=O)cc1C(=O)[O-] ZINC001599565527 1017604047 /nfs/dbraw/zinc/60/40/47/1017604047.db2.gz UXRVMRWLHXMAHY-UHFFFAOYSA-N -1 0 322.317 -0.132 20 0 DBADRM COc1ccc(CN2CC[C@H]2C(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC001599561633 1017604202 /nfs/dbraw/zinc/60/42/02/1017604202.db2.gz WYGPKICERPJUIX-STQMWFEESA-N -1 0 308.334 -0.169 20 0 DBADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)Cn1ncn(C)c1=O ZINC001599646473 1017604675 /nfs/dbraw/zinc/60/46/75/1017604675.db2.gz WXBDFEOKPCSOHL-UHFFFAOYSA-N -1 0 320.305 -0.048 20 0 DBADRM COc1cccc(-n2cc(C(=O)NC[C@H](O)CC(=O)[O-])nn2)c1 ZINC001599642008 1017604696 /nfs/dbraw/zinc/60/46/96/1017604696.db2.gz RYEVDIWHPWBHKS-SNVBAGLBSA-N -1 0 320.305 -0.159 20 0 DBADRM COc1cccc(-c2nc(C(=O)N[C@@H](CO)C(=O)[O-])no2)c1 ZINC001599639925 1017604737 /nfs/dbraw/zinc/60/47/37/1017604737.db2.gz CLMWTJFHLHVYOX-VIFPVBQESA-N -1 0 307.262 -0.080 20 0 DBADRM COc1cccc([C@@H](C(=O)[O-])N2CC(S(N)(=O)=O)C2)c1 ZINC001599648997 1017604761 /nfs/dbraw/zinc/60/47/61/1017604761.db2.gz BTHAXZCBKWDBJC-NSHDSACASA-N -1 0 300.336 -0.206 20 0 DBADRM COc1ccc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001599614367 1017604819 /nfs/dbraw/zinc/60/48/19/1017604819.db2.gz RZWABPLAMHJLLA-GXSJLCMTSA-N -1 0 316.335 -0.311 20 0 DBADRM COc1cccc([C@@H](O)C(=O)NCCC(=O)NCCC(=O)[O-])c1 ZINC001599658708 1017605123 /nfs/dbraw/zinc/60/51/23/1017605123.db2.gz DJULEZKVDIBCGQ-CQSZACIVSA-N -1 0 324.333 -0.174 20 0 DBADRM COc1ccc(NC(=O)C(=O)N[C@@H](C)CC(N)=O)c(C(=O)[O-])c1 ZINC001599588813 1017605210 /nfs/dbraw/zinc/60/52/10/1017605210.db2.gz UMUZXLBAJFGDDJ-ZETCQYMHSA-N -1 0 323.305 -0.288 20 0 DBADRM COc1cccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])n1 ZINC001599640754 1017606016 /nfs/dbraw/zinc/60/60/16/1017606016.db2.gz MKTMGCMCLLMIRV-JTQLQIEISA-N -1 0 307.306 -0.104 20 0 DBADRM COc1cccc([C@@H](O)C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC001599661244 1017606160 /nfs/dbraw/zinc/60/61/60/1017606160.db2.gz ZZLTZHZJQTXSSF-WCQYABFASA-N -1 0 322.317 -0.470 20 0 DBADRM COc1ccc(OCC(=O)NCC(=O)NCC(=O)[O-])cc1C ZINC001599604793 1017606721 /nfs/dbraw/zinc/60/67/21/1017606721.db2.gz WYYVAYIZWNNDCO-UHFFFAOYSA-N -1 0 310.306 -0.301 20 0 DBADRM COc1ccc(NC(=O)C(=O)N[C@H](C)CC(N)=O)c(C(=O)[O-])c1 ZINC001599588812 1017606815 /nfs/dbraw/zinc/60/68/15/1017606815.db2.gz UMUZXLBAJFGDDJ-SSDOTTSWSA-N -1 0 323.305 -0.288 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001599699823 1017607483 /nfs/dbraw/zinc/60/74/83/1017607483.db2.gz GZFZOSQVPAHYPN-MWLCHTKSSA-N -1 0 322.317 -0.529 20 0 DBADRM COc1ccccc1C[C@H](CNC(=O)CNC(N)=O)C(=O)[O-] ZINC001599707747 1017607698 /nfs/dbraw/zinc/60/76/98/1017607698.db2.gz QVUHNZXJZKKFDL-SNVBAGLBSA-N -1 0 309.322 -0.277 20 0 DBADRM COc1cccc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1 ZINC001599678870 1017609265 /nfs/dbraw/zinc/60/92/65/1017609265.db2.gz PGPAWEVDLVBKPD-KOLCDFICSA-N -1 0 322.317 -0.072 20 0 DBADRM COc1cnc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c(F)c1 ZINC001599722964 1017610696 /nfs/dbraw/zinc/61/06/96/1017610696.db2.gz BICANTLGJGAXQQ-SECBINFHSA-N -1 0 311.269 -0.355 20 0 DBADRM COc1cnc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)nc1 ZINC001599724183 1017611305 /nfs/dbraw/zinc/61/13/05/1017611305.db2.gz BABMYMGTYUJUNR-SECBINFHSA-N -1 0 308.294 -0.253 20 0 DBADRM COc1cncc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)n1 ZINC001599725181 1017611511 /nfs/dbraw/zinc/61/15/11/1017611511.db2.gz AFEBGKYYUPCFMV-UHFFFAOYSA-N -1 0 304.266 -0.528 20 0 DBADRM COc1coc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cc1=O ZINC001599727460 1017611621 /nfs/dbraw/zinc/61/16/21/1017611621.db2.gz CAJKWSJACJAIHB-QMMMGPOBSA-N -1 0 324.289 -0.546 20 0 DBADRM COc1cncc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001599727047 1017611733 /nfs/dbraw/zinc/61/17/33/1017611733.db2.gz ZPNXRVVQZWTZGR-BDAKNGLRSA-N -1 0 322.321 -0.606 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)nc1 ZINC001599724673 1017611957 /nfs/dbraw/zinc/61/19/57/1017611957.db2.gz MLRXITZEFSEFSN-VXNVDRBHSA-N -1 0 308.294 -0.397 20 0 DBADRM COc1cnc(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)nc1 ZINC001599723375 1017612148 /nfs/dbraw/zinc/61/21/48/1017612148.db2.gz KZWQWWPBHMLDRW-UHFFFAOYSA-N -1 0 323.305 -0.035 20 0 DBADRM COc1nccc(NC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])n1 ZINC001599734992 1017612699 /nfs/dbraw/zinc/61/26/99/1017612699.db2.gz CREMNYZZMCMQMF-MRVPVSSYSA-N -1 0 323.309 -0.318 20 0 DBADRM CS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC001599768813 1017629060 /nfs/dbraw/zinc/62/90/60/1017629060.db2.gz BMCMJJNYKKSBPB-VIFPVBQESA-N -1 0 305.283 -0.596 20 0 DBADRM COc1ncc(CN2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c(C)n1 ZINC001599734354 1017613448 /nfs/dbraw/zinc/61/34/48/1017613448.db2.gz LMOUEVSNFQMDOH-NEPJUHHUSA-N -1 0 320.349 -0.185 20 0 DBADRM COc1nccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001599734307 1017613767 /nfs/dbraw/zinc/61/37/67/1017613767.db2.gz DTMGALRKXQDYNS-RKDXNWHRSA-N -1 0 320.305 -0.854 20 0 DBADRM COc1nn(C)cc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001599739532 1017615890 /nfs/dbraw/zinc/61/58/90/1017615890.db2.gz PKAKGMUYBPSGKZ-RKDXNWHRSA-N -1 0 322.321 -0.910 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC001599749463 1017618488 /nfs/dbraw/zinc/61/84/88/1017618488.db2.gz RLUAHZLJNRASQZ-VIFPVBQESA-N -1 0 313.397 -0.453 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC001599748099 1017618725 /nfs/dbraw/zinc/61/87/25/1017618725.db2.gz BEHPNMZWUZHHIU-AXFHLTTASA-N -1 0 319.379 -0.241 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(c2ccc(C(=O)[O-])nn2)CCO1 ZINC001599749293 1017618865 /nfs/dbraw/zinc/61/88/65/1017618865.db2.gz OSDNMNCPDFQSSG-QMMMGPOBSA-N -1 0 301.324 -0.575 20 0 DBADRM CS(=O)(=O)CC1CCN(Cn2cnc(C(=O)[O-])n2)CC1 ZINC001599749598 1017618902 /nfs/dbraw/zinc/61/89/02/1017618902.db2.gz TUEOGRPYGRYKRC-UHFFFAOYSA-N -1 0 302.356 -0.310 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])on2)C1 ZINC001599748492 1017619024 /nfs/dbraw/zinc/61/90/24/1017619024.db2.gz HOBYYGWLKLGCED-SSDOTTSWSA-N -1 0 302.308 -0.121 20 0 DBADRM CS(=O)(=O)CCNC(=S)NC[C@H](CC(=O)[O-])C1CC1 ZINC001599751259 1017620110 /nfs/dbraw/zinc/62/01/10/1017620110.db2.gz HLZRHJGDRHLDGW-VIFPVBQESA-N -1 0 308.425 -0.004 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001599750561 1017621054 /nfs/dbraw/zinc/62/10/54/1017621054.db2.gz IKXKMAQUTAIDDT-VHSXEESVSA-N -1 0 307.368 -0.193 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](CCF)C(=O)[O-])C1 ZINC001599754987 1017622059 /nfs/dbraw/zinc/62/20/59/1017622059.db2.gz AXMCOIIANBSQEF-DTWKUNHWSA-N -1 0 310.347 -0.413 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1cc(C(=O)[O-])no1 ZINC001599755967 1017622759 /nfs/dbraw/zinc/62/27/59/1017622759.db2.gz TUCCMZPVDLTZSR-SSDOTTSWSA-N -1 0 317.323 -0.473 20 0 DBADRM CS(=O)(=O)Cc1nc(CNC(=O)CCCCC(=O)[O-])n[nH]1 ZINC001599753354 1017623040 /nfs/dbraw/zinc/62/30/40/1017623040.db2.gz MMGKRYNYNDZQKE-UHFFFAOYSA-N -1 0 318.355 -0.390 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)OCCCC(=O)C(=O)[O-] ZINC001599754837 1017623498 /nfs/dbraw/zinc/62/34/98/1017623498.db2.gz DVXZKXSRGMIJGQ-VIFPVBQESA-N -1 0 321.351 -0.222 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccnc(C(=O)[O-])n1 ZINC001599755157 1017623558 /nfs/dbraw/zinc/62/35/58/1017623558.db2.gz IBWXEACZHMKWNN-SSDOTTSWSA-N -1 0 314.323 -0.463 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001599757972 1017624401 /nfs/dbraw/zinc/62/44/01/1017624401.db2.gz NUQXRADDFYGMNW-CHWFTXMASA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001599757974 1017625195 /nfs/dbraw/zinc/62/51/95/1017625195.db2.gz NUQXRADDFYGMNW-UKKRHICBSA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)NCC1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001599759144 1017625411 /nfs/dbraw/zinc/62/54/11/1017625411.db2.gz JCKMJPMAZSLUJC-VHSXEESVSA-N -1 0 304.368 -0.505 20 0 DBADRM CS(=O)(=O)NCCC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001599759254 1017625447 /nfs/dbraw/zinc/62/54/47/1017625447.db2.gz MVGAAGFACUMTAQ-SKDRFNHKSA-N -1 0 304.368 -0.219 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C[C@H]1CCCOC1)C(=O)[O-] ZINC001599763506 1017626607 /nfs/dbraw/zinc/62/66/07/1017626607.db2.gz YNFBRFISIYNDOS-GBIKHYSHSA-N -1 0 319.379 -0.193 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)c1cncc(C(=O)[O-])c1 ZINC001599761717 1017627157 /nfs/dbraw/zinc/62/71/57/1017627157.db2.gz YWYNJIUIKITESY-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C1=CCCCO1)C(=O)[O-] ZINC001599763239 1017627424 /nfs/dbraw/zinc/62/74/24/1017627424.db2.gz WWDFOWMISDNDGX-JOYOIKCWSA-N -1 0 303.336 -0.315 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C1=COCCC1)C(=O)[O-] ZINC001599762525 1017627643 /nfs/dbraw/zinc/62/76/43/1017627643.db2.gz LWTUNRFFLXTVMJ-JOYOIKCWSA-N -1 0 303.336 -0.315 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(c2nccc(C(=O)[O-])n2)C1 ZINC001599759503 1017627690 /nfs/dbraw/zinc/62/76/90/1017627690.db2.gz XCNVUDIRXGFFHB-MRVPVSSYSA-N -1 0 300.340 -0.450 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NC[C@H](O)CC(=O)[O-])s1 ZINC001599768506 1017628674 /nfs/dbraw/zinc/62/86/74/1017628674.db2.gz NBPCHMGWDJPNDN-ZCFIWIBFSA-N -1 0 307.349 -0.283 20 0 DBADRM CS(=O)(=O)c1ccccc1CCNC(=O)COCC(=O)[O-] ZINC001599774504 1017629086 /nfs/dbraw/zinc/62/90/86/1017629086.db2.gz ZMLQTERPXJOWML-UHFFFAOYSA-N -1 0 315.347 -0.150 20 0 DBADRM CS(=O)(=O)c1ccccc1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001599774242 1017629906 /nfs/dbraw/zinc/62/99/06/1017629906.db2.gz LSKQDDLVMNLYBA-ZDUSSCGKSA-N -1 0 313.331 -0.248 20 0 DBADRM CS(=O)(=O)c1ccc(/C=C/C(=O)NC[C@H](O)C(=O)[O-])o1 ZINC001599770358 1017629979 /nfs/dbraw/zinc/62/99/79/1017629979.db2.gz LQFZLVQOAMOZMT-KHVHVRLGSA-N -1 0 303.292 -0.742 20 0 DBADRM CS(=O)(=O)c1ccnc(N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC001599774097 1017630132 /nfs/dbraw/zinc/63/01/32/1017630132.db2.gz SKKJYAXXGWACKK-QMMMGPOBSA-N -1 0 301.324 -0.440 20 0 DBADRM CS[C@H](C)CNC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599786044 1017631894 /nfs/dbraw/zinc/63/18/94/1017631894.db2.gz ZBFZRCGLZGJHQT-YIZRAAEISA-N -1 0 304.368 -0.445 20 0 DBADRM CSCCCn1nnnc1N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599800136 1017633874 /nfs/dbraw/zinc/63/38/74/1017633874.db2.gz OIJVWTROTVFHHE-BDAKNGLRSA-N -1 0 301.372 -0.302 20 0 DBADRM CSCCCNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001599799565 1017634484 /nfs/dbraw/zinc/63/44/84/1017634484.db2.gz FBPYSJUWYQLJIG-DTWKUNHWSA-N -1 0 304.368 -0.850 20 0 DBADRM CS[C@H]1CCC[C@H](NC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001599789069 1017634616 /nfs/dbraw/zinc/63/46/16/1017634616.db2.gz OVPQDXBCXAOFKL-IUCAKERBSA-N -1 0 316.379 -0.565 20 0 DBADRM CSCC[C@@H](O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599796704 1017634639 /nfs/dbraw/zinc/63/46/39/1017634639.db2.gz UKXHPFMFZFXECE-SKDRFNHKSA-N -1 0 302.352 -0.068 20 0 DBADRM CSCC[C@@H](O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001599796682 1017635181 /nfs/dbraw/zinc/63/51/81/1017635181.db2.gz TYZMHBAJHBHOJV-VHSXEESVSA-N -1 0 320.411 -0.168 20 0 DBADRM C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC001599839042 1017636198 /nfs/dbraw/zinc/63/61/98/1017636198.db2.gz MNCKSPPBKZQOBV-SSDOTTSWSA-N -1 0 304.299 -0.307 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1CCC(=O)N1 ZINC001599836391 1017636392 /nfs/dbraw/zinc/63/63/92/1017636392.db2.gz IZJDBEHZFSSKIF-IONNQARKSA-N -1 0 307.310 -0.630 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1CN(C)CCO1 ZINC001599836818 1017636876 /nfs/dbraw/zinc/63/68/76/1017636876.db2.gz VKFBRVXUENLXHF-GXSJLCMTSA-N -1 0 323.353 -0.578 20 0 DBADRM C[C@@H](CCNC(=O)[C@H]1CCC(=O)N1)Nc1ccnc(C(=O)[O-])n1 ZINC001599835371 1017637035 /nfs/dbraw/zinc/63/70/35/1017637035.db2.gz JOHVDVFEDGWTKW-DTWKUNHWSA-N -1 0 321.337 -0.818 20 0 DBADRM C[C@@H](NC(=O)CCc1ccccc1)C(=O)NC[C@H](O)C(=O)[O-] ZINC001599838966 1017637129 /nfs/dbraw/zinc/63/71/29/1017637129.db2.gz HWACCQYJMKRABY-PWSUYJOCSA-N -1 0 308.334 -0.314 20 0 DBADRM C[C@@H](O)C1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1 ZINC001599841870 1017637197 /nfs/dbraw/zinc/63/71/97/1017637197.db2.gz BZXRZGUQOCXYQE-SSDOTTSWSA-N -1 0 303.340 -0.111 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1cnc[nH]c1=O ZINC001599836145 1017637253 /nfs/dbraw/zinc/63/72/53/1017637253.db2.gz BCINHWUCBZNNCL-ZETCQYMHSA-N -1 0 318.293 -0.677 20 0 DBADRM C[C@@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1nnc2n1CCCCC2 ZINC001599838755 1017637428 /nfs/dbraw/zinc/63/74/28/1017637428.db2.gz UAUOHBPRIOCNQV-SECBINFHSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)[O-] ZINC001599843258 1017638488 /nfs/dbraw/zinc/63/84/88/1017638488.db2.gz CEGZHZSZXHWPPQ-XXFPWJFMSA-N -1 0 308.290 -0.274 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@]1(C(=O)OC(C)(C)C)CCCO1)C(=O)[O-] ZINC001599844449 1017639055 /nfs/dbraw/zinc/63/90/55/1017639055.db2.gz YNXZQLLWTWGVJB-TVLCNXBWSA-N -1 0 317.338 -0.173 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CNC(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC001599844116 1017639418 /nfs/dbraw/zinc/63/94/18/1017639418.db2.gz XXTXTWZUBMFBAT-KBUNVGBDSA-N -1 0 316.260 -0.355 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12)C(=O)[O-] ZINC001599844301 1017639472 /nfs/dbraw/zinc/63/94/72/1017639472.db2.gz JULDKXUUSWSJJU-DVPVEWDBSA-N -1 0 304.302 -0.153 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1)C(=O)[O-] ZINC001599843683 1017639519 /nfs/dbraw/zinc/63/95/19/1017639519.db2.gz HAULQWOFAHFWDF-VDAHYXPESA-N -1 0 316.310 -0.577 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cnn(-c2ccccn2)c1N)C(=O)[O-] ZINC001599845937 1017639576 /nfs/dbraw/zinc/63/95/76/1017639576.db2.gz KXGZGASUTPPLMJ-XCBNKYQSSA-N -1 0 305.294 -0.587 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@]1(c2ccccc2)CNC(=O)C1)C(=O)[O-] ZINC001599844763 1017639599 /nfs/dbraw/zinc/63/95/99/1017639599.db2.gz WKXWOCOMHKMKJO-LYSGOOTNSA-N -1 0 306.318 -0.606 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC001599846714 1017639689 /nfs/dbraw/zinc/63/96/89/1017639689.db2.gz XBOBMTWRWVRIQD-IWSPIJDZSA-N -1 0 319.335 -0.962 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cccnc1N1CCOCC1)C(=O)[O-] ZINC001599845975 1017639732 /nfs/dbraw/zinc/63/97/32/1017639732.db2.gz MYVFOFBSLCLBJE-KOLCDFICSA-N -1 0 309.322 -0.518 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]cn2)C[C@@H](C(=O)[O-])O1 ZINC001599848196 1017641217 /nfs/dbraw/zinc/64/12/17/1017641217.db2.gz UGDHJNWRNXMKPU-SCZZXKLOSA-N -1 0 310.310 -0.931 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](n3cncn3)C2)C[C@H]1C(=O)[O-] ZINC001599850022 1017641249 /nfs/dbraw/zinc/64/12/49/1017641249.db2.gz UWQPPOZOGWVZKU-OUAUKWLOSA-N -1 0 321.337 -0.769 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)C[C@H]1C(=O)[O-] ZINC001599849715 1017641399 /nfs/dbraw/zinc/64/13/99/1017641399.db2.gz QRNIKOYIQRGBOW-IWSPIJDZSA-N -1 0 320.292 -0.606 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCn3cncc3C2)C[C@H]1C(=O)[O-] ZINC001599849922 1017641532 /nfs/dbraw/zinc/64/15/32/1017641532.db2.gz GQEVQXXUKYBBOF-MWLCHTKSSA-N -1 0 306.322 -0.596 20 0 DBADRM C[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@@H](C(=O)[O-])O1 ZINC001599853586 1017643525 /nfs/dbraw/zinc/64/35/25/1017643525.db2.gz DGGMLYXVUPOYDQ-SCZZXKLOSA-N -1 0 305.352 -0.488 20 0 DBADRM C[C@@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001599854272 1017644380 /nfs/dbraw/zinc/64/43/80/1017644380.db2.gz GRKJYGWAFUHZQI-VWYCJHECSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])on2)CCN1S(C)(=O)=O ZINC001599862964 1017645543 /nfs/dbraw/zinc/64/55/43/1017645543.db2.gz WXLSGDRJBGABIQ-SSDOTTSWSA-N -1 0 317.323 -0.521 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[nH]c(C(=O)[O-])c2)CCN1S(C)(=O)=O ZINC001599862229 1017645738 /nfs/dbraw/zinc/64/57/38/1017645738.db2.gz YKKQNOSAAKYFAE-MRVPVSSYSA-N -1 0 315.351 -0.181 20 0 DBADRM C[C@@H]1CN(C(=O)Nc2cnc(C(N)=O)s2)C[C@@H](C(=O)[O-])O1 ZINC001599861719 1017645835 /nfs/dbraw/zinc/64/58/35/1017645835.db2.gz SSNRZCJRXJBGAB-RITPCOANSA-N -1 0 314.323 -0.052 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCc2cnn(C)n2)C[C@@H](C(=O)[O-])O1 ZINC001599858679 1017646009 /nfs/dbraw/zinc/64/60/09/1017646009.db2.gz PEJGVWVOUGIESW-KOLCDFICSA-N -1 0 311.342 -0.369 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1c(C(=O)[O-])cnn1C ZINC001599872112 1017647325 /nfs/dbraw/zinc/64/73/25/1017647325.db2.gz YGJYLAHIRAZCGL-SVRRBLITSA-N -1 0 316.339 -0.327 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)O[C@H]1C(=O)[O-] ZINC001599872487 1017648110 /nfs/dbraw/zinc/64/81/10/1017648110.db2.gz YSOPCOPDEFLCSK-IXXAWXHISA-N -1 0 310.350 -0.023 20 0 DBADRM C[C@@H]1CN(c2nnnn2CCO[C@@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001599872447 1017648417 /nfs/dbraw/zinc/64/84/17/1017648417.db2.gz VEUOUGGZDQUWFL-GMTAPVOTSA-N -1 0 311.342 -0.365 20 0 DBADRM C[C@@H]1CN(c2cncc(C(=O)[O-])n2)C[C@H]1CS(N)(=O)=O ZINC001599868526 1017648821 /nfs/dbraw/zinc/64/88/21/1017648821.db2.gz AAGDOQCTVRMUMW-SFYZADRCSA-N -1 0 300.340 -0.464 20 0 DBADRM C[C@@H]1CN(c2nnc(C[C@@H](O)C3CC3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599869551 1017648881 /nfs/dbraw/zinc/64/88/81/1017648881.db2.gz FZLCEARYLUUDFG-IEBDPFPHSA-N -1 0 310.354 -0.193 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN(Cc3cn[nH]c3)CC2)O[C@H]1C(=O)[O-] ZINC001599875115 1017650237 /nfs/dbraw/zinc/65/02/37/1017650237.db2.gz XXIOSKHTFJGINY-RAIGVLPGSA-N -1 0 322.365 -0.068 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)O[C@H]1C(=O)[O-] ZINC001599875583 1017650365 /nfs/dbraw/zinc/65/03/65/1017650365.db2.gz ZGHZZKOXELJBFM-HOTMZDKISA-N -1 0 300.311 -0.986 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)O[C@H]1C(=O)[O-] ZINC001599873873 1017650636 /nfs/dbraw/zinc/65/06/36/1017650636.db2.gz MHSCRVGFDVHDOU-KAMPLNKDSA-N -1 0 317.363 -0.632 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCc2ccc(C(N)=O)nc2)O[C@H]1C(=O)[O-] ZINC001599874960 1017650931 /nfs/dbraw/zinc/65/09/31/1017650931.db2.gz IFXYLDLVIHXJKQ-AVPPRXQKSA-N -1 0 307.306 -0.325 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H]2CCCOC2)O[C@H]1C(=O)[O-] ZINC001599873775 1017651103 /nfs/dbraw/zinc/65/11/03/1017651103.db2.gz MXQMXLIGULQFKA-LZQZFOIKSA-N -1 0 301.339 -0.232 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H]1CCCOC1 ZINC001599891022 1017651825 /nfs/dbraw/zinc/65/18/25/1017651825.db2.gz HDICZWXAXRHHJG-NXEZZACHSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001599887743 1017652345 /nfs/dbraw/zinc/65/23/45/1017652345.db2.gz VNQCVSJPOXZFAP-MKCWBWRRSA-N -1 0 307.306 -0.063 20 0 DBADRM C[C@@H]1C[C@H](C(=O)O[C@]2(C)CCS(=O)(=O)C2)O[C@H]1C(=O)[O-] ZINC001599878862 1017652664 /nfs/dbraw/zinc/65/26/64/1017652664.db2.gz HDTGKBBMDMIEBS-MFYTUXHUSA-N -1 0 306.336 -0.015 20 0 DBADRM C[C@H](C(=O)N[C@](C)(CO)C(=O)[O-])N1Cc2ccccc2C1=O ZINC001599885750 1017652714 /nfs/dbraw/zinc/65/27/14/1017652714.db2.gz PEWCVIYWTZNICL-RFAUZJTJSA-N -1 0 306.318 -0.017 20 0 DBADRM C[C@@]12CN(C(=O)NCC3(C(=O)[O-])CC3)C[C@@H]1CS(=O)(=O)C2 ZINC001599884371 1017652875 /nfs/dbraw/zinc/65/28/75/1017652875.db2.gz VLOBUFAAKYUUAY-SKDRFNHKSA-N -1 0 316.379 -0.073 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@]1(C)CCCOC1)C(=O)[O-] ZINC001599895775 1017654309 /nfs/dbraw/zinc/65/43/09/1017654309.db2.gz ATDZYAXTULRIHQ-RVBZMBCESA-N -1 0 301.343 -0.168 20 0 DBADRM C[C@H](NC(=O)[C@H](C)N1C(=O)N2C3CCC2(CC3)C1=O)C(=O)[O-] ZINC001599895284 1017654631 /nfs/dbraw/zinc/65/46/31/1017654631.db2.gz KWMFTUPXXLYOFP-LYFYLZQNSA-N -1 0 309.322 -0.077 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)CC1(O)CCC1 ZINC001599891688 1017654652 /nfs/dbraw/zinc/65/46/52/1017654652.db2.gz QSJVOFSXIAAQTD-SECBINFHSA-N -1 0 308.338 -0.182 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CCc2n[nH]cc2C1)C(=O)[O-] ZINC001599895336 1017654800 /nfs/dbraw/zinc/65/48/00/1017654800.db2.gz NFBBTIPQPGZDQE-CIUDSAMLSA-N -1 0 308.338 -0.391 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)CC(C)(C)C)C(=O)[O-] ZINC001599896243 1017654946 /nfs/dbraw/zinc/65/49/46/1017654946.db2.gz RJKDDNKBXYCNGC-IUCAKERBSA-N -1 0 315.370 -0.367 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N(C)CC1(CO)CC1)C(=O)[O-] ZINC001599896082 1017655163 /nfs/dbraw/zinc/65/51/63/1017655163.db2.gz NMCGENBTLAYPLW-IUCAKERBSA-N -1 0 301.343 -0.622 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCc2n[nH]cc21)C(=O)[O-] ZINC001599895282 1017655347 /nfs/dbraw/zinc/65/53/47/1017655347.db2.gz KTTNHABELMSCHS-XHNCKOQMSA-N -1 0 308.338 -0.076 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCc2n[nH]cc2C1)C(=O)[O-] ZINC001599895337 1017655439 /nfs/dbraw/zinc/65/54/39/1017655439.db2.gz NFBBTIPQPGZDQE-XHNCKOQMSA-N -1 0 308.338 -0.391 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@H]2COC[C@@H]2C1)C(=O)[O-] ZINC001599898243 1017656338 /nfs/dbraw/zinc/65/63/38/1017656338.db2.gz UEJQLRJWYXYZNB-NAKRPEOUSA-N -1 0 313.354 -0.358 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC(F)(F)C[C@H]1CO)C(=O)[O-] ZINC001599897987 1017656933 /nfs/dbraw/zinc/65/69/33/1017656933.db2.gz QXOLLZLWKXZJJK-FXQIFTODSA-N -1 0 323.296 -0.624 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@H](CCCO)C1)C(=O)[O-] ZINC001599898173 1017657290 /nfs/dbraw/zinc/65/72/90/1017657290.db2.gz STZRXXSZGLWSGZ-DCAQKATOSA-N -1 0 315.370 -0.232 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H]1CCC[C@H]1CCO)C(=O)[O-] ZINC001599897339 1017657294 /nfs/dbraw/zinc/65/72/94/1017657294.db2.gz YVEZCROZAXPBRJ-NAKRPEOUSA-N -1 0 315.370 -0.186 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@@H](O)C(F)(F)F)C(=O)[O-] ZINC001599897947 1017657381 /nfs/dbraw/zinc/65/73/81/1017657381.db2.gz PTHRBRVDXMCMAL-HCWXCVPCSA-N -1 0 315.248 -0.813 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@@H]2COC[C@@H]2C1)C(=O)[O-] ZINC001599898241 1017657387 /nfs/dbraw/zinc/65/73/87/1017657387.db2.gz UEJQLRJWYXYZNB-MMWGEVLESA-N -1 0 313.354 -0.358 20 0 DBADRM C[C@H](O)CNC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001599903422 1017659578 /nfs/dbraw/zinc/65/95/78/1017659578.db2.gz MSPZCHJGADFERE-LURJTMIESA-N -1 0 310.262 -0.451 20 0 DBADRM C[C@@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)c1cnn2cc[nH]c12 ZINC001498172202 1017660408 /nfs/dbraw/zinc/66/04/08/1017660408.db2.gz KQRNVQPLUQDHKE-ZETCQYMHSA-N -1 0 304.314 -0.606 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2CCO)C[C@@H](C(=O)[O-])O1 ZINC001599910220 1017660972 /nfs/dbraw/zinc/66/09/72/1017660972.db2.gz NWBWHCMZOCBZBG-DCAQKATOSA-N -1 0 314.338 -0.940 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001599909342 1017661055 /nfs/dbraw/zinc/66/10/55/1017661055.db2.gz XSNKVXNLXVCGDZ-BJDJZHNGSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C[C@H](C)N1C ZINC001599909428 1017661392 /nfs/dbraw/zinc/66/13/92/1017661392.db2.gz QEYYSQKDMBTNRH-JRPNMDOOSA-N -1 0 311.382 -0.139 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccncc2)C[C@@H](C(=O)[O-])O1 ZINC001599909432 1017661604 /nfs/dbraw/zinc/66/16/04/1017661604.db2.gz QHVAESREFVQRJU-JQWIXIFHSA-N -1 0 321.333 -0.260 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)[O-])s2)CC[NH2+]1 ZINC001599911407 1017663133 /nfs/dbraw/zinc/66/31/33/1017663133.db2.gz FBCCOXKDNOUVBH-QMMMGPOBSA-N -1 0 311.363 -0.117 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCOCCF)C[C@]1(C)C(=O)[O-] ZINC001599912045 1017663523 /nfs/dbraw/zinc/66/35/23/1017663523.db2.gz DBJQTWYSHIENIL-ZANVPECISA-N -1 0 304.318 -0.342 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2cn(C)cn2)C[C@]1(C)C(=O)[O-] ZINC001599911351 1017663878 /nfs/dbraw/zinc/66/38/78/1017663878.db2.gz ALMXNGRCKWMEQN-XPTSAGLGSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@H]1CN(C(=O)c2cccn3c(=O)[nH]nc23)C[C@@H](C(=O)[O-])O1 ZINC001599925541 1017664743 /nfs/dbraw/zinc/66/47/43/1017664743.db2.gz UYRZSKFPLBZHCJ-CBAPKCEASA-N -1 0 306.278 -0.251 20 0 DBADRM C[C@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)C[C@@H](C(=O)[O-])O1 ZINC001599926490 1017665143 /nfs/dbraw/zinc/66/51/43/1017665143.db2.gz YMSAIHYWNSWSLC-XVKPBYJWSA-N -1 0 305.290 -0.110 20 0 DBADRM C[C@H]1CN(C(=O)c2ccnc3[nH]c(=O)[nH]c32)C[C@@H](C(=O)[O-])O1 ZINC001599926426 1017665433 /nfs/dbraw/zinc/66/54/33/1017665433.db2.gz SQOBRARLFBUBNT-XPUUQOCRSA-N -1 0 306.278 -0.022 20 0 DBADRM C[C@H]1CN(C(=S)NCCNS(C)(=O)=O)C[C@]1(C)C(=O)[O-] ZINC001599927513 1017665728 /nfs/dbraw/zinc/66/57/28/1017665728.db2.gz XBPUUJIORHLXHF-KWQFWETISA-N -1 0 323.440 -0.547 20 0 DBADRM C[C@H]1CN(C(=O)NCCCN2CCOC2=O)C[C@@H](C(=O)[O-])O1 ZINC001599920921 1017666074 /nfs/dbraw/zinc/66/60/74/1017666074.db2.gz XYRJQPPLRFTEAX-UWVGGRQHSA-N -1 0 315.326 -0.288 20 0 DBADRM C[C@H]1CN(C(=O)NCC[C@]2(O)CCCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599920242 1017666155 /nfs/dbraw/zinc/66/61/55/1017666155.db2.gz KAKJQPAMZQJYGB-COPLHBTASA-N -1 0 316.354 -0.199 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@H]1C(=O)[O-] ZINC001599916704 1017666266 /nfs/dbraw/zinc/66/62/66/1017666266.db2.gz RZFWCYYPLQBKFG-VHSXEESVSA-N -1 0 304.368 -0.409 20 0 DBADRM C[C@H]1CN(C(=O)NCCCS(C)(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC001599920331 1017666537 /nfs/dbraw/zinc/66/65/37/1017666537.db2.gz UMTNIRMEHHFEGY-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM C[C@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@@H](C(=O)[O-])O1 ZINC001599925179 1017666606 /nfs/dbraw/zinc/66/66/06/1017666606.db2.gz IFEQUONVKBRZKV-CABZTGNLSA-N -1 0 317.305 -0.024 20 0 DBADRM C[C@H]1CN(C(=O)N[C@H]2CCC(=O)N(C)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599918768 1017666625 /nfs/dbraw/zinc/66/66/25/1017666625.db2.gz PSSYHAAKMQDGCC-CIUDSAMLSA-N -1 0 313.310 -0.983 20 0 DBADRM C[C@H]1CN(CC(=O)N=[S@](C)(=O)N(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599928247 1017667765 /nfs/dbraw/zinc/66/77/65/1017667765.db2.gz ZPAVCYDCJNGECC-FRUKKLPWSA-N -1 0 307.372 -0.739 20 0 DBADRM C[C@H]1OCCO[C@H]1C(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001599936550 1017667956 /nfs/dbraw/zinc/66/79/56/1017667956.db2.gz VMIPKXMOKUMFDY-JFGNBEQYSA-N -1 0 315.322 -0.201 20 0 DBADRM C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599934518 1017668134 /nfs/dbraw/zinc/66/81/34/1017668134.db2.gz GIUYPMSRVWGCJL-YIZRAAEISA-N -1 0 309.326 -0.556 20 0 DBADRM C[C@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599929607 1017668176 /nfs/dbraw/zinc/66/81/76/1017668176.db2.gz HYTFAIMATUIPHR-UWVGGRQHSA-N -1 0 313.354 -0.119 20 0 DBADRM C[C@H]1CN(c2nnc(Cc3cnn(C)c3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599933226 1017668489 /nfs/dbraw/zinc/66/84/89/1017668489.db2.gz MWZIZUWJJUQWPT-ONGXEEELSA-N -1 0 320.353 -0.182 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCN(C)CC2)CC[C@H]1C(=O)[O-] ZINC001599930814 1017668799 /nfs/dbraw/zinc/66/87/99/1017668799.db2.gz BMEMZOSVSHSFNR-WDEREUQCSA-N -1 0 305.400 -0.479 20 0 DBADRM C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001599932864 1017668850 /nfs/dbraw/zinc/66/88/50/1017668850.db2.gz UYAXHEAXHRJJLC-SRQGCSHVSA-N -1 0 302.352 -0.609 20 0 DBADRM C[C@H]1CN(c2nnc([C@H]3CCC(=O)NC3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599935188 1017668902 /nfs/dbraw/zinc/66/89/02/1017668902.db2.gz MGHZCKGVOLJOEC-GUBZILKMSA-N -1 0 323.353 -0.513 20 0 DBADRM C[C@H]1CN(CN2C(=O)N[C@](C)(C3CC3)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599928788 1017669168 /nfs/dbraw/zinc/66/91/68/1017669168.db2.gz XKHJENZRCKOZIV-QEVYDEPDSA-N -1 0 311.338 -0.162 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)O[C@H](C)C(=O)C(=O)[O-] ZINC001599967244 1017670520 /nfs/dbraw/zinc/67/05/20/1017670520.db2.gz ZULYEQWKSRKOOT-SSDOTTSWSA-N -1 0 307.262 -0.541 20 0 DBADRM Cc1[nH]c(CN2CCN3[C@H](CNS3(=O)=O)C2)cc1C(=O)[O-] ZINC001599962305 1017670927 /nfs/dbraw/zinc/67/09/27/1017670927.db2.gz GEKUTMZRHFOESW-SNVBAGLBSA-N -1 0 314.367 -0.644 20 0 DBADRM Cc1[nH]c(C=O)cc1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001599959795 1017671748 /nfs/dbraw/zinc/67/17/48/1017671748.db2.gz ILZBBLLZTVWRJM-LLVKDONJSA-N -1 0 307.306 -0.059 20 0 DBADRM Cc1nc2nc[nH]n2c(=O)c1CCOC(=O)C1(C(=O)[O-])CC1 ZINC001599966890 1017672251 /nfs/dbraw/zinc/67/22/51/1017672251.db2.gz MDMNTWLWUVMKDO-UHFFFAOYSA-N -1 0 306.278 -0.323 20 0 DBADRM Cc1n[nH]cc1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599968957 1017673456 /nfs/dbraw/zinc/67/34/56/1017673456.db2.gz ZSLAJPFDUKZQMD-VHSXEESVSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1c(C(=O)N2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nnn1C ZINC001599974980 1017673865 /nfs/dbraw/zinc/67/38/65/1017673865.db2.gz DLCNKMHYNSRQHF-UWVGGRQHSA-N -1 0 321.337 -0.968 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C[C@H]21 ZINC001599969446 1017674059 /nfs/dbraw/zinc/67/40/59/1017674059.db2.gz WGLPIMYGAYWSNB-DKLQEMNFSA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1nc[nH]c1CC(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599968560 1017674117 /nfs/dbraw/zinc/67/41/17/1017674117.db2.gz YXGVUPYBEJAXPB-UWVGGRQHSA-N -1 0 306.322 -0.692 20 0 DBADRM Cc1c(C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)cnn1C ZINC001599975560 1017674550 /nfs/dbraw/zinc/67/45/50/1017674550.db2.gz FNPMCBZBDQDUES-UHFFFAOYSA-N -1 0 318.337 -0.177 20 0 DBADRM Cc1c(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cnn1C ZINC001599975950 1017674879 /nfs/dbraw/zinc/67/48/79/1017674879.db2.gz ZTNPZXCZXSZZRU-GHMZBOCLSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1c(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])nnn1C(C)C ZINC001599977487 1017675162 /nfs/dbraw/zinc/67/51/62/1017675162.db2.gz OODFIWRJDXTFGF-SNVBAGLBSA-N -1 0 323.353 -0.027 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001599968317 1017675284 /nfs/dbraw/zinc/67/52/84/1017675284.db2.gz RARPCPBTZVQHNT-MRVPVSSYSA-N -1 0 318.337 -0.212 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)C[C@@H]2CC(=O)NC2=O)n1C ZINC001599991916 1017676237 /nfs/dbraw/zinc/67/62/37/1017676237.db2.gz ZDFRUDYMUAMVNR-MRVPVSSYSA-N -1 0 307.306 -0.299 20 0 DBADRM Cc1c(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nnn1C ZINC001599983279 1017676360 /nfs/dbraw/zinc/67/63/60/1017676360.db2.gz IULSXJBUPQQWFX-AATLWQCWSA-N -1 0 321.337 -0.779 20 0 DBADRM Cc1c(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])nnn1-c1cnn(C)c1 ZINC001599981529 1017676493 /nfs/dbraw/zinc/67/64/93/1017676493.db2.gz MOGVNHUOHVFCRV-PSASIEDQSA-N -1 0 304.310 -0.240 20 0 DBADRM Cc1c(C(=O)NCC(=O)NCC(=O)[O-])nnn1-c1ccccc1 ZINC001599981125 1017677015 /nfs/dbraw/zinc/67/70/15/1017677015.db2.gz YZDIMEQYQPDPQH-UHFFFAOYSA-N -1 0 317.305 -0.494 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@@]2(C)CCOC2)cnn1CC(=O)[O-] ZINC001600027358 1017677933 /nfs/dbraw/zinc/67/79/33/1017677933.db2.gz QTUHYYQTDUHUGJ-CQSZACIVSA-N -1 0 324.337 -0.243 20 0 DBADRM Cc1c(CCC(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])cnn1C ZINC001600012159 1017678215 /nfs/dbraw/zinc/67/82/15/1017678215.db2.gz ZVGXTDHTJDRNGH-NSHDSACASA-N -1 0 308.338 -0.585 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H]2CCO[C@H](C)C2)cnn1CC(=O)[O-] ZINC001600028066 1017678334 /nfs/dbraw/zinc/67/83/34/1017678334.db2.gz LMBSVKALFHAVTR-PSASIEDQSA-N -1 0 324.337 -0.102 20 0 DBADRM Cc1c(CCC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cnn1C ZINC001600011032 1017678578 /nfs/dbraw/zinc/67/85/78/1017678578.db2.gz FKSHGXHLNSYGHQ-GFCCVEGCSA-N -1 0 322.365 -0.147 20 0 DBADRM Cc1c(CNC(=O)NCCC(=O)NCCC(=O)[O-])cnn1C ZINC001600011251 1017678728 /nfs/dbraw/zinc/67/87/28/1017678728.db2.gz BNZNVYCTOIZJQS-UHFFFAOYSA-N -1 0 311.342 -0.491 20 0 DBADRM Cc1c(NC(=O)[C@@H]2CCN=C3C2=NNN3C)cnn1CC(=O)[O-] ZINC001600032685 1017679675 /nfs/dbraw/zinc/67/96/75/1017679675.db2.gz OTVAYMUMRUEXJY-MRVPVSSYSA-N -1 0 319.325 -0.561 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@H]2CCOC[C@H]2C)cnn1CC(=O)[O-] ZINC001600029196 1017679777 /nfs/dbraw/zinc/67/97/77/1017679777.db2.gz YWSCCVLFNLLAJT-SCZZXKLOSA-N -1 0 324.337 -0.244 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H]2CCO[C@@H](C)C2)cnn1CC(=O)[O-] ZINC001600028068 1017679856 /nfs/dbraw/zinc/67/98/56/1017679856.db2.gz LMBSVKALFHAVTR-WCBMZHEXSA-N -1 0 324.337 -0.102 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCOCC2CC2)cnn1CC(=O)[O-] ZINC001600029504 1017679974 /nfs/dbraw/zinc/67/99/74/1017679974.db2.gz YKURNIXOVQZNEF-UHFFFAOYSA-N -1 0 324.337 -0.243 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H]2CCOC[C@@H]2C)cnn1CC(=O)[O-] ZINC001600029197 1017680074 /nfs/dbraw/zinc/68/00/74/1017680074.db2.gz YWSCCVLFNLLAJT-WCBMZHEXSA-N -1 0 324.337 -0.244 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H](CO)CC2CC2)cnn1CC(=O)[O-] ZINC001600029300 1017680109 /nfs/dbraw/zinc/68/01/09/1017680109.db2.gz ZFRBTURVYFGDNC-SNVBAGLBSA-N -1 0 324.337 -0.508 20 0 DBADRM Cc1c[nH]c(C(=O)NCC=CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001600060494 1017681411 /nfs/dbraw/zinc/68/14/11/1017681411.db2.gz LACNCDFLTIFXSO-JAFKPYBISA-N -1 0 306.322 -0.159 20 0 DBADRM Cc1cc(=O)c(C(=O)NCC(=O)NCC(=O)[O-])cn1C1CC1 ZINC001600065198 1017681549 /nfs/dbraw/zinc/68/15/49/1017681549.db2.gz BNPAWOGMYKVHOP-UHFFFAOYSA-N -1 0 307.306 -0.578 20 0 DBADRM Cc1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)no1 ZINC001600080710 1017681591 /nfs/dbraw/zinc/68/15/91/1017681591.db2.gz JNLGWRXFOHCSHH-NXEZZACHSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1c[nH]c(=O)c(CNS(=O)(=O)N(C)CCC(=O)[O-])c1 ZINC001600060847 1017681797 /nfs/dbraw/zinc/68/17/97/1017681797.db2.gz QWPVOLVTTWFBIY-UHFFFAOYSA-N -1 0 303.340 -0.163 20 0 DBADRM Cc1cc(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)on1 ZINC001600077000 1017682335 /nfs/dbraw/zinc/68/23/35/1017682335.db2.gz DZFZJRVOFKDQFN-UWVGGRQHSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])ncc1C(N)=O ZINC001600083781 1017683330 /nfs/dbraw/zinc/68/33/30/1017683330.db2.gz PDQPMZDYURWDJW-VIFPVBQESA-N -1 0 307.306 -0.195 20 0 DBADRM Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cc(=O)[nH]1 ZINC001600082544 1017684117 /nfs/dbraw/zinc/68/41/17/1017684117.db2.gz IRNXPCTYVVPRMO-JTQLQIEISA-N -1 0 307.306 -0.099 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](O)CNc2ncc(C(=O)[O-])cn2)on1 ZINC001600091818 1017684331 /nfs/dbraw/zinc/68/43/31/1017684331.db2.gz JLXZONJDDNCCFR-SECBINFHSA-N -1 0 321.293 -0.326 20 0 DBADRM Cc1cc(C(=O)OCCn2cc(C(N)=O)nn2)oc1C(=O)[O-] ZINC001600138084 1017685093 /nfs/dbraw/zinc/68/50/93/1017685093.db2.gz BOPUYWDWODDBGB-UHFFFAOYSA-N -1 0 308.250 -0.166 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N(C)CCN2CCCS2(=O)=O)n1 ZINC001600125507 1017685375 /nfs/dbraw/zinc/68/53/75/1017685375.db2.gz XCSFSTRWWYFJBL-UHFFFAOYSA-N -1 0 314.367 -0.045 20 0 DBADRM Cc1cc([C@H](NC(=O)CN2C(=O)CNC2=O)C(=O)[O-])ccc1F ZINC001600145751 1017685678 /nfs/dbraw/zinc/68/56/78/1017685678.db2.gz IAAHHQXRFBOUGW-LBPRGKRZSA-N -1 0 323.280 -0.072 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2CCC[C@H](CS(N)(=O)=O)C2)n1 ZINC001600126899 1017686170 /nfs/dbraw/zinc/68/61/70/1017686170.db2.gz INBNLLXDNXMYFB-VIFPVBQESA-N -1 0 314.367 -0.012 20 0 DBADRM Cc1cc(CC(=O)NCCNc2ccnc(C(=O)[O-])n2)no1 ZINC001600187105 1017686861 /nfs/dbraw/zinc/68/68/61/1017686861.db2.gz MFVRLMNHVQWYSJ-UHFFFAOYSA-N -1 0 305.294 -0.336 20 0 DBADRM Cc1cc(CC(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)no1 ZINC001600187521 1017687200 /nfs/dbraw/zinc/68/72/00/1017687200.db2.gz MERAGMFUBSMHSP-QWRGUYRKSA-N -1 0 307.306 -0.427 20 0 DBADRM Cc1cc(C(=O)N[C@H](CO)C(=O)[O-])nn1-c1nc(C)cc(C)n1 ZINC001600181937 1017687217 /nfs/dbraw/zinc/68/72/17/1017687217.db2.gz ROXSMLJEIGTVPQ-LLVKDONJSA-N -1 0 319.321 -0.237 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N3CCC[C@H](O)[C@H]3C(=O)[O-])nc2n1 ZINC001600179716 1017687518 /nfs/dbraw/zinc/68/75/18/1017687518.db2.gz LRXVGUZYUYWHPJ-UWVGGRQHSA-N -1 0 319.321 -0.209 20 0 DBADRM Cc1cc(C)n(CC(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])n1 ZINC001600178691 1017687527 /nfs/dbraw/zinc/68/75/27/1017687527.db2.gz DLASNFIXWQRWCU-UHFFFAOYSA-N -1 0 323.309 -0.069 20 0 DBADRM Cc1cc(C)n(CCC(=O)NCCC(=O)NCCC(=O)[O-])n1 ZINC001600179463 1017687943 /nfs/dbraw/zinc/68/79/43/1017687943.db2.gz JOOHHAZEYMNTDU-UHFFFAOYSA-N -1 0 310.354 -0.013 20 0 DBADRM Cc1cc(C)n(CC(=O)NCCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001600178790 1017688000 /nfs/dbraw/zinc/68/80/00/1017688000.db2.gz KODBLTGSYSZLMI-NWDGAFQWSA-N -1 0 322.365 -0.157 20 0 DBADRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CNC(=O)C1 ZINC001600224786 1017689452 /nfs/dbraw/zinc/68/94/52/1017689452.db2.gz VKFBUWBKCRZYDY-ZETCQYMHSA-N -1 0 316.310 -0.001 20 0 DBADRM Cc1cc(CS(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)no1 ZINC001600215946 1017689837 /nfs/dbraw/zinc/68/98/37/1017689837.db2.gz QOSUJOQBOMLIMR-NSHDSACASA-N -1 0 304.324 -0.106 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n[nH]1 ZINC001600197392 1017690106 /nfs/dbraw/zinc/69/01/06/1017690106.db2.gz MCWPFHASDZAXRR-GZMMTYOYSA-N -1 0 308.338 -0.096 20 0 DBADRM Cc1cc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n(C)n1 ZINC001600198453 1017690339 /nfs/dbraw/zinc/69/03/39/1017690339.db2.gz NBYNTZHNBVFWNK-NSHDSACASA-N -1 0 308.338 -0.332 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cn(C)c1=O ZINC001600246642 1017691340 /nfs/dbraw/zinc/69/13/40/1017691340.db2.gz WCJJYTVNRNSOSD-SNVBAGLBSA-N -1 0 319.317 -0.078 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)ccc1C(=O)[O-] ZINC001600246748 1017691425 /nfs/dbraw/zinc/69/14/25/1017691425.db2.gz DGKGXJLABGHMTP-SECBINFHSA-N -1 0 305.290 -0.364 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ncnn2C)c(C(=O)[O-])[nH]1 ZINC001600246847 1017691495 /nfs/dbraw/zinc/69/14/95/1017691495.db2.gz ZTTMIINLVQQKCV-ZETCQYMHSA-N -1 0 320.309 -0.034 20 0 DBADRM Cc1cc(N2CC[C@H](CC(N)=O)C2)n2nc(C(=O)[O-])nc2n1 ZINC001600237638 1017691508 /nfs/dbraw/zinc/69/15/08/1017691508.db2.gz DEGMYPSINPGKHC-MRVPVSSYSA-N -1 0 304.310 -0.167 20 0 DBADRM Cc1cc(N2CCN3CCOC[C@H]3C2)n2nc(C(=O)[O-])nc2n1 ZINC001600240966 1017691620 /nfs/dbraw/zinc/69/16/20/1017691620.db2.gz FSICTHJRALVOOD-SNVBAGLBSA-N -1 0 318.337 -0.348 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCC(=O)[O-])n(-c2ncccn2)n1 ZINC001600247563 1017691643 /nfs/dbraw/zinc/69/16/43/1017691643.db2.gz HWHTWHTXCXLERM-UHFFFAOYSA-N -1 0 318.293 -0.500 20 0 DBADRM Cc1cc(N2CC[C@](O)(C(=O)[O-])C2)nc(S(C)(=O)=O)n1 ZINC001600239248 1017691649 /nfs/dbraw/zinc/69/16/49/1017691649.db2.gz QOHSFUATTRHJEG-LLVKDONJSA-N -1 0 301.324 -0.786 20 0 DBADRM Cc1cc(N2CCC[C@@H](NC(=O)COCC(=O)[O-])C2)n(C)n1 ZINC001600240118 1017691730 /nfs/dbraw/zinc/69/17/30/1017691730.db2.gz QJAQSKJFQPIGLQ-LLVKDONJSA-N -1 0 310.354 -0.085 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)nnc1C ZINC001600245657 1017691913 /nfs/dbraw/zinc/69/19/13/1017691913.db2.gz VAMULXCLWNKPRK-WPRPVWTQSA-N -1 0 322.321 -0.268 20 0 DBADRM Cc1cc(N2CC[C@H](N3CCC(O)(C(=O)[O-])CC3)C2=O)n(C)n1 ZINC001600238344 1017692314 /nfs/dbraw/zinc/69/23/14/1017692314.db2.gz RVFDKXBUXQWSHW-NSHDSACASA-N -1 0 322.365 -0.255 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001600284518 1017693800 /nfs/dbraw/zinc/69/38/00/1017693800.db2.gz PMFFRPLZERLVHR-LLVKDONJSA-N -1 0 324.333 -0.045 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCC(=O)NCCC(=O)[O-])no1 ZINC001600248141 1017693808 /nfs/dbraw/zinc/69/38/08/1017693808.db2.gz VRTKBGGSGGNVDA-UHFFFAOYSA-N -1 0 312.282 -0.981 20 0 DBADRM Cc1cc(NC(=O)CS(=O)(=O)C[C@H](C)C(=O)[O-])n(C)n1 ZINC001600256738 1017693823 /nfs/dbraw/zinc/69/38/23/1017693823.db2.gz HNYBXVOLVCNGHI-ZETCQYMHSA-N -1 0 303.340 -0.197 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCCn2cncn2)c(C(=O)[O-])[nH]1 ZINC001600248090 1017693866 /nfs/dbraw/zinc/69/38/66/1017693866.db2.gz UIYJZDQZTJCORS-UHFFFAOYSA-N -1 0 320.309 -0.242 20 0 DBADRM Cc1cc(NC(=O)CN2CC(=O)N(C)C2=O)ncc1C(=O)[O-] ZINC001600255163 1017694370 /nfs/dbraw/zinc/69/43/70/1017694370.db2.gz OEITYROHCIXGPU-UHFFFAOYSA-N -1 0 306.278 -0.079 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001600284646 1017694580 /nfs/dbraw/zinc/69/45/80/1017694580.db2.gz RCBMOEDQGQFDJQ-AWEZNQCLSA-N -1 0 310.306 -0.700 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@]2(O)CCOC2)c(C(=O)[O-])[nH]1 ZINC001600248140 1017694632 /nfs/dbraw/zinc/69/46/32/1017694632.db2.gz DIKNPEDBBGYUHC-CYBMUJFWSA-N -1 0 311.294 -0.773 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001600284519 1017694641 /nfs/dbraw/zinc/69/46/41/1017694641.db2.gz PMFFRPLZERLVHR-NSHDSACASA-N -1 0 324.333 -0.045 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)c(C(=O)[O-])[nH]1 ZINC001600250270 1017694721 /nfs/dbraw/zinc/69/47/21/1017694721.db2.gz JIPMADPBUWSFSJ-ZETCQYMHSA-N -1 0 310.310 -0.447 20 0 DBADRM Cc1cc(S(=O)(=O)NCCn2ncnn2)oc1C(=O)[O-] ZINC001600299961 1017695517 /nfs/dbraw/zinc/69/55/17/1017695517.db2.gz QXZLDGTWMCWUPF-UHFFFAOYSA-N -1 0 301.284 -0.749 20 0 DBADRM Cc1cc(S(=O)(=O)N2C[C@@H](O)C[C@@]2(C)CO)oc1C(=O)[O-] ZINC001600295496 1017695606 /nfs/dbraw/zinc/69/56/06/1017695606.db2.gz JMRYIXLBSIHURB-UFBFGSQYSA-N -1 0 319.335 -0.207 20 0 DBADRM Cc1cc(S(=O)(=O)N2CC(CO)(CO)C2)ccc1C(=O)[O-] ZINC001600293967 1017695623 /nfs/dbraw/zinc/69/56/23/1017695623.db2.gz YNBBPXGMADBFMR-UHFFFAOYSA-N -1 0 315.347 -0.331 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c(C)o1 ZINC001600295342 1017695863 /nfs/dbraw/zinc/69/58/63/1017695863.db2.gz TYXYEOWWGHEUBZ-VIFPVBQESA-N -1 0 316.335 -0.140 20 0 DBADRM Cc1cc(S(=O)(=O)NCCn2cnnn2)oc1C(=O)[O-] ZINC001600299931 1017695951 /nfs/dbraw/zinc/69/59/51/1017695951.db2.gz ORJJENNDQJQBBX-UHFFFAOYSA-N -1 0 301.284 -0.749 20 0 DBADRM Cc1cc(S(=O)(=O)N2CC[C@@H](O)[C@H](CO)C2)oc1C(=O)[O-] ZINC001600294344 1017696530 /nfs/dbraw/zinc/69/65/30/1017696530.db2.gz BWDQTBNMVYNRCH-DTWKUNHWSA-N -1 0 319.335 -0.350 20 0 DBADRM Cc1cc(S(=O)(=O)N2CC(S(C)(=O)=O)C2)oc1C(=O)[O-] ZINC001600295312 1017696561 /nfs/dbraw/zinc/69/65/61/1017696561.db2.gz HZGGDQIYIARZPC-UHFFFAOYSA-N -1 0 323.348 -0.296 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@H]2COCC[C@H]2O)oc1C(=O)[O-] ZINC001600300432 1017696643 /nfs/dbraw/zinc/69/66/43/1017696643.db2.gz PRFAQUKSTGUNOM-HTQZYQBOSA-N -1 0 305.308 -0.286 20 0 DBADRM Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001600339689 1017697291 /nfs/dbraw/zinc/69/72/91/1017697291.db2.gz UZHNFDFAAPGVMI-GHMZBOCLSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001600331518 1017697659 /nfs/dbraw/zinc/69/76/59/1017697659.db2.gz GLZHJAKCCHBNBY-QWRGUYRKSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1NS(C)(=O)=O ZINC001600342238 1017697912 /nfs/dbraw/zinc/69/79/12/1017697912.db2.gz GSDYXPMQERSCBO-JTQLQIEISA-N -1 0 316.335 -0.458 20 0 DBADRM Cc1ccc(C(=O)NCC[C@H](O)C(=O)[O-])cc1S(C)(=O)=O ZINC001600340034 1017698185 /nfs/dbraw/zinc/69/81/85/1017698185.db2.gz MKNAFDLXGWBVNA-JTQLQIEISA-N -1 0 315.347 -0.036 20 0 DBADRM Cc1ccc(CCNC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)o1 ZINC001600407442 1017698556 /nfs/dbraw/zinc/69/85/56/1017698556.db2.gz GVZGYEVNBVSKIG-JQWIXIFHSA-N -1 0 324.333 -0.053 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)[C@@H](C)c2nnnn2C)c1[O-] ZINC001498257282 1017699303 /nfs/dbraw/zinc/69/93/03/1017699303.db2.gz BXPNCAAYCYEZNP-APPZFPTMSA-N -1 0 322.373 -0.241 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cn1 ZINC001600477499 1017699624 /nfs/dbraw/zinc/69/96/24/1017699624.db2.gz TUEIMRARUPLMEA-QWRGUYRKSA-N -1 0 300.336 -0.011 20 0 DBADRM Cc1ccc(NCCN(CCO)C(=O)[C@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001600460072 1017699683 /nfs/dbraw/zinc/69/96/83/1017699683.db2.gz MFHXUMIVPPQPQS-QWRGUYRKSA-N -1 0 308.338 -0.261 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])c(Cl)n1 ZINC001600442575 1017699835 /nfs/dbraw/zinc/69/98/35/1017699835.db2.gz HPAIZDNGABACDV-ZETCQYMHSA-N -1 0 315.713 -0.066 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)CC2CC2)C1 ZINC001498264477 1017700182 /nfs/dbraw/zinc/70/01/82/1017700182.db2.gz AZVVLQDMYGMACG-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1cccc(S(=O)(=O)N2C[C@H](CO)[C@H](O)C2)c1C(=O)[O-] ZINC001600548387 1017700867 /nfs/dbraw/zinc/70/08/67/1017700867.db2.gz WPJRNYHYDDFRQH-NXEZZACHSA-N -1 0 315.347 -0.333 20 0 DBADRM Cc1ccn(CC(=O)N[C@@H](CC2OCCO2)C(=O)[O-])c(=O)c1 ZINC001600595379 1017700924 /nfs/dbraw/zinc/70/09/24/1017700924.db2.gz OXCOLNCXEKSANZ-JTQLQIEISA-N -1 0 310.306 -0.511 20 0 DBADRM Cc1ccn([C@@H](C)CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC001600594960 1017701156 /nfs/dbraw/zinc/70/11/56/1017701156.db2.gz XGRBLJZDRHNUME-QWRGUYRKSA-N -1 0 308.338 -0.056 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)N[C@@H](CF)C(=O)[O-])c(=O)c1 ZINC001600595152 1017701261 /nfs/dbraw/zinc/70/12/61/1017701261.db2.gz HMCBJLQGLXKBBO-TVQRCGJNSA-N -1 0 300.286 -0.553 20 0 DBADRM Cc1cccc2c1CC[C@H]2NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600555844 1017701581 /nfs/dbraw/zinc/70/15/81/1017701581.db2.gz QRBOTZZUMQPLRN-GFCCVEGCSA-N -1 0 318.329 -0.244 20 0 DBADRM Cc1cccn2cc(CC(=O)NCC(=O)NCC(=O)[O-])nc12 ZINC001600589457 1017701744 /nfs/dbraw/zinc/70/17/44/1017701744.db2.gz RTOVVKSYQBCWMJ-UHFFFAOYSA-N -1 0 304.306 -0.498 20 0 DBADRM Cc1ccccc1C[C@H](C)NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600576975 1017701805 /nfs/dbraw/zinc/70/18/05/1017701805.db2.gz MGSRSKGCTDEZLP-NSHDSACASA-N -1 0 320.345 -0.300 20 0 DBADRM Cc1ccn([C@H](C)CC(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])n1 ZINC001600594584 1017701955 /nfs/dbraw/zinc/70/19/55/1017701955.db2.gz GFFQKUNYUVAZQJ-MNOVXSKESA-N -1 0 308.338 -0.104 20 0 DBADRM Cc1cccc2c1CC[C@@H]2NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600555845 1017702211 /nfs/dbraw/zinc/70/22/11/1017702211.db2.gz QRBOTZZUMQPLRN-LBPRGKRZSA-N -1 0 318.329 -0.244 20 0 DBADRM Cc1ccnc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])n1 ZINC001600598168 1017702787 /nfs/dbraw/zinc/70/27/87/1017702787.db2.gz GBCAKPKWGXEGID-UHFFFAOYSA-N -1 0 308.338 -0.356 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)O[C@H](C)C(=O)C(=O)[O-])c(=O)c1 ZINC001600598905 1017702942 /nfs/dbraw/zinc/70/29/42/1017702942.db2.gz SAVDODNMHSYVCB-YMTOWFKASA-N -1 0 311.290 -0.507 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600611208 1017703104 /nfs/dbraw/zinc/70/31/04/1017703104.db2.gz BLNZIOFXNJYMHD-NAKRPEOUSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(=O)c1 ZINC001600597666 1017703285 /nfs/dbraw/zinc/70/32/85/1017703285.db2.gz FWCDSFXMYGNVCT-UEKVPHQBSA-N -1 0 308.334 -0.113 20 0 DBADRM Cc1ccncc1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001600606601 1017703549 /nfs/dbraw/zinc/70/35/49/1017703549.db2.gz KHBXRKQJQFOGQD-ZJUUUORDSA-N -1 0 307.306 -0.377 20 0 DBADRM Cc1ccncc1CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600605627 1017703560 /nfs/dbraw/zinc/70/35/60/1017703560.db2.gz XJIMTZHDGAMDCV-CHWSQXEVSA-N -1 0 319.361 -0.226 20 0 DBADRM Cc1ccn(C[C@@H](C)C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])n1 ZINC001600597473 1017703578 /nfs/dbraw/zinc/70/35/78/1017703578.db2.gz DSSBVBZQNMJQIS-KOLCDFICSA-N -1 0 308.338 -0.419 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)O[C@H](C)C(=O)C(=O)[O-])c(=O)c1 ZINC001600598903 1017703765 /nfs/dbraw/zinc/70/37/65/1017703765.db2.gz SAVDODNMHSYVCB-OTYXRUKQSA-N -1 0 311.290 -0.507 20 0 DBADRM Cc1ccnn1CC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600606128 1017704082 /nfs/dbraw/zinc/70/40/82/1017704082.db2.gz NCZYYYRQTRHREN-GHMZBOCLSA-N -1 0 306.322 -0.761 20 0 DBADRM Cc1cnc2nc(C(=O)N[C@H](Cn3ccnc3)C(=O)[O-])nn2c1 ZINC001600627109 1017704590 /nfs/dbraw/zinc/70/45/90/1017704590.db2.gz MKFYKZTUROHDOZ-SECBINFHSA-N -1 0 315.293 -0.488 20 0 DBADRM Cc1cnc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(O)c1 ZINC001600616106 1017704738 /nfs/dbraw/zinc/70/47/38/1017704738.db2.gz LOFICBKHLHUOGG-MRVPVSSYSA-N -1 0 314.319 -0.581 20 0 DBADRM Cc1cnc(C(=O)NCCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cn1 ZINC001600616820 1017705001 /nfs/dbraw/zinc/70/50/01/1017705001.db2.gz LKJRFQYJEGTYIV-UWVGGRQHSA-N -1 0 306.322 -0.258 20 0 DBADRM Cc1cn2c(n1)CN(S(=O)(=O)N(C)CCC(=O)[O-])CC2 ZINC001600615414 1017705058 /nfs/dbraw/zinc/70/50/58/1017705058.db2.gz SELSMRGIBKPLPW-UHFFFAOYSA-N -1 0 302.356 -0.342 20 0 DBADRM Cc1cn2nc(C(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)cc2c(=O)[nH]1 ZINC001600614968 1017705156 /nfs/dbraw/zinc/70/51/56/1017705156.db2.gz NWPXZGUEOYHSLQ-KCJUWKMLSA-N -1 0 320.305 -0.355 20 0 DBADRM Cc1cnc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c(O)c1 ZINC001600616606 1017705517 /nfs/dbraw/zinc/70/55/17/1017705517.db2.gz ZDXFNVPJFBVWDU-VIFPVBQESA-N -1 0 307.306 -0.099 20 0 DBADRM Cc1cn2nc(C(=O)NC3(C(=O)[O-])CCOCC3)cc2c(=O)[nH]1 ZINC001600614989 1017705628 /nfs/dbraw/zinc/70/56/28/1017705628.db2.gz OWAASBOCVFCTNB-UHFFFAOYSA-N -1 0 320.305 -0.305 20 0 DBADRM Cc1cn2nnc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])c2c(=O)[nH]1 ZINC001600615666 1017705932 /nfs/dbraw/zinc/70/59/32/1017705932.db2.gz ZNJFTJHEQXZUHP-YFKPBYRVSA-N -1 0 315.236 -0.023 20 0 DBADRM Cc1cncn1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600631564 1017706453 /nfs/dbraw/zinc/70/64/53/1017706453.db2.gz CXUUTWRKNUKCTR-FIQHERPVSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1cnccc1CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001600630262 1017706489 /nfs/dbraw/zinc/70/64/89/1017706489.db2.gz RMDFTWNEEKTITF-NSHDSACASA-N -1 0 312.347 -0.357 20 0 DBADRM Cc1cncn1CC(=O)N(C)CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001600632053 1017706520 /nfs/dbraw/zinc/70/65/20/1017706520.db2.gz WBRLOJVFSRZCLL-RYUDHWBXSA-N -1 0 322.365 -0.123 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600635773 1017707049 /nfs/dbraw/zinc/70/70/49/1017707049.db2.gz WYHDXZSZGUAFLH-MNOVXSKESA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cncn1CC(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600631872 1017707170 /nfs/dbraw/zinc/70/71/70/1017707170.db2.gz FTLSSQWIQACGQG-QWRGUYRKSA-N -1 0 306.322 -0.761 20 0 DBADRM Cc1cncc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c1 ZINC001600628149 1017707714 /nfs/dbraw/zinc/70/77/14/1017707714.db2.gz ZREAETNJSJLYSG-QWRGUYRKSA-N -1 0 307.306 -0.235 20 0 DBADRM Cc1cnccc1CNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001600629700 1017707831 /nfs/dbraw/zinc/70/78/31/1017707831.db2.gz HMADSGPCTVOYSP-NWDGAFQWSA-N -1 0 321.333 -0.700 20 0 DBADRM Cc1cnoc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001600637305 1017708658 /nfs/dbraw/zinc/70/86/58/1017708658.db2.gz IGFSPBKYLLZMCI-LADJIXMOSA-N -1 0 319.317 -0.110 20 0 DBADRM Cc1cnoc1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600637092 1017708730 /nfs/dbraw/zinc/70/87/30/1017708730.db2.gz BUUDZIKNHSPJRL-UWVGGRQHSA-N -1 0 307.306 -0.012 20 0 DBADRM Cc1conc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C[C@H]21 ZINC001600644808 1017708835 /nfs/dbraw/zinc/70/88/35/1017708835.db2.gz BYYZCOLGVWJOJE-OMHSBUABSA-N -1 0 319.317 -0.110 20 0 DBADRM Cc1csc(NC(=O)C(=O)NC[C@@](C)(O)CO)c1C(=O)[O-] ZINC001600659887 1017708891 /nfs/dbraw/zinc/70/88/91/1017708891.db2.gz JIBKJMWJDHRWJH-GFCCVEGCSA-N -1 0 316.335 -0.447 20 0 DBADRM Cc1conc1CS(=O)(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001600645470 1017709398 /nfs/dbraw/zinc/70/93/98/1017709398.db2.gz OXFKNGFFRZFVKD-LLVKDONJSA-N -1 0 304.324 -0.106 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCC(O)(C(N)=O)CC1 ZINC001600640090 1017709497 /nfs/dbraw/zinc/70/94/97/1017709497.db2.gz HXFZCZMRJSJKJD-UHFFFAOYSA-N -1 0 310.306 -0.332 20 0 DBADRM Cc1conc1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600644537 1017709691 /nfs/dbraw/zinc/70/96/91/1017709691.db2.gz ZMWGJFBCUJZLLC-VHSXEESVSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H]1CCCN(CC(N)=O)C1 ZINC001600642488 1017709985 /nfs/dbraw/zinc/70/99/85/1017709985.db2.gz RWTMIRLRGDRCEM-SNVBAGLBSA-N -1 0 323.349 -0.105 20 0 DBADRM Cc1n[nH]c(C)c1CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001600670410 1017710886 /nfs/dbraw/zinc/71/08/86/1017710886.db2.gz BMVLZXFHWZZJDK-SNVBAGLBSA-N -1 0 308.338 -0.034 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001600671162 1017710979 /nfs/dbraw/zinc/71/09/79/1017710979.db2.gz VOPBVRJVLROSAP-RKDXNWHRSA-N -1 0 303.340 -0.375 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CO[C@@H]1CCOC1 ZINC001498282668 1017712140 /nfs/dbraw/zinc/71/21/40/1017712140.db2.gz VFZYHBWJNYIDBZ-VHSXEESVSA-N -1 0 313.358 -0.748 20 0 DBADRM Cc1n[nH]c(C)c1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600667097 1017712455 /nfs/dbraw/zinc/71/24/55/1017712455.db2.gz RILYQTHQZCLMNJ-ZJUUUORDSA-N -1 0 306.322 -0.312 20 0 DBADRM Cc1nc(N2CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC2)n[nH]1 ZINC001600671816 1017713022 /nfs/dbraw/zinc/71/30/22/1017713022.db2.gz BPSRCEVIIVEJIZ-MRVPVSSYSA-N -1 0 317.371 -0.714 20 0 DBADRM Cc1nc(N2CCN([C@H]3CCN(CCC(=O)[O-])C3=O)CC2)n[nH]1 ZINC001600672101 1017713067 /nfs/dbraw/zinc/71/30/67/1017713067.db2.gz RFLINSJCMBJQFN-NSHDSACASA-N -1 0 322.369 -0.689 20 0 DBADRM CC[C@H](C)C(=O)N1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001498282366 1017713297 /nfs/dbraw/zinc/71/32/97/1017713297.db2.gz MZQLQHNSVGVBKN-QMMMGPOBSA-N -1 0 323.353 -0.412 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@H](O)[C@H]2CCCO2)c1C(=O)[O-] ZINC001600673409 1017713418 /nfs/dbraw/zinc/71/34/18/1017713418.db2.gz PWXHLFRIAXRKOD-JGVFFNPUSA-N -1 0 319.339 -0.765 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCC[C@@H](C)[S@@](C)=O)c1C(=O)[O-] ZINC001600673754 1017715258 /nfs/dbraw/zinc/71/52/58/1017715258.db2.gz MTXJDAXIUIBSRI-ZLWQNGGKSA-N -1 0 323.396 -0.148 20 0 DBADRM Cc1nc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)no1 ZINC001600683037 1017716140 /nfs/dbraw/zinc/71/61/40/1017716140.db2.gz VJAGXPFONWSICM-CYBMUJFWSA-N -1 0 310.310 -0.620 20 0 DBADRM Cc1nc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c(=O)[nH]c1C ZINC001600682844 1017716238 /nfs/dbraw/zinc/71/62/38/1017716238.db2.gz UYCWIOKUCZCMOM-ZUZCIYMTSA-N -1 0 321.333 -0.050 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@](C)(O)C1CC1 ZINC001498287952 1017716878 /nfs/dbraw/zinc/71/68/78/1017716878.db2.gz ZZZUXSUZNIBDJT-XPTSAGLGSA-N -1 0 311.386 -0.002 20 0 DBADRM Cc1nc(C(=O)N(C)CCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])c[nH]1 ZINC001600683269 1017717227 /nfs/dbraw/zinc/71/72/27/1017717227.db2.gz MFCQFCZVUVWXNQ-VHSXEESVSA-N -1 0 308.338 -0.031 20 0 DBADRM Cc1nc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)co1 ZINC001600683527 1017717251 /nfs/dbraw/zinc/71/72/51/1017717251.db2.gz QFVVFEPNOFTQFJ-ZJUUUORDSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600675750 1017717418 /nfs/dbraw/zinc/71/74/18/1017717418.db2.gz OZSWLPUFVVPBSD-MRVPVSSYSA-N -1 0 305.298 -0.120 20 0 DBADRM Cc1nc(C(=O)[O-])cn1CC(=O)N(C)CC(=O)N1CCOCC1 ZINC001600685562 1017717665 /nfs/dbraw/zinc/71/76/65/1017717665.db2.gz QVAVELXGFWNNMB-UHFFFAOYSA-N -1 0 324.337 -0.793 20 0 DBADRM Cc1nc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c[nH]1 ZINC001600681890 1017717717 /nfs/dbraw/zinc/71/77/17/1017717717.db2.gz ASNHAPTTWJVXQH-QMMMGPOBSA-N -1 0 301.324 -0.568 20 0 DBADRM Cc1nnc(C2CN(S(=O)(=O)c3cc(C(=O)[O-])ccn3)C2)[nH]1 ZINC001600694223 1017717990 /nfs/dbraw/zinc/71/79/90/1017717990.db2.gz GOYDNKFTMFYQJK-UHFFFAOYSA-N -1 0 323.334 -0.006 20 0 DBADRM Cc1nc(N2C[C@H](C(=O)[O-])C[C@H](O)C2)sc1S(N)(=O)=O ZINC001600709335 1017718095 /nfs/dbraw/zinc/71/80/95/1017718095.db2.gz ZZYXFSPEZFUXPL-RQJHMYQMSA-N -1 0 321.380 -0.629 20 0 DBADRM Cc1nc(CN2CC(CCO)(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)co1 ZINC001600700337 1017718131 /nfs/dbraw/zinc/71/81/31/1017718131.db2.gz KLTAKZMTYOULQW-NEPJUHHUSA-N -1 0 323.349 -0.243 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)CC2)[nH]1 ZINC001600700191 1017718542 /nfs/dbraw/zinc/71/85/42/1017718542.db2.gz OQAFQGVZFFLIRM-MNOVXSKESA-N -1 0 323.353 -0.610 20 0 DBADRM Cc1nnc(CN2CCN(c3ccc(C(=O)[O-])nn3)CC2)[nH]1 ZINC001600701161 1017718810 /nfs/dbraw/zinc/71/88/10/1017718810.db2.gz PNOBTEYLEAPHID-UHFFFAOYSA-N -1 0 303.326 -0.076 20 0 DBADRM Cc1nc([C@@H]2CCN(S(=O)(=O)N(C)CCC(=O)[O-])C2)no1 ZINC001600697007 1017719071 /nfs/dbraw/zinc/71/90/71/1017719071.db2.gz NBODXJXWAKWGRP-SECBINFHSA-N -1 0 318.355 -0.181 20 0 DBADRM Cc1nc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])[nH]c1C ZINC001600701485 1017719375 /nfs/dbraw/zinc/71/93/75/1017719375.db2.gz XBGLFXSWAVQWOK-UWVGGRQHSA-N -1 0 321.337 -0.394 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001498293220 1017720284 /nfs/dbraw/zinc/72/02/84/1017720284.db2.gz FNADWBBZTLYIKV-BDAKNGLRSA-N -1 0 312.374 -0.639 20 0 DBADRM Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001600731300 1017721546 /nfs/dbraw/zinc/72/15/46/1017721546.db2.gz MNIKQZFEENLDPP-AWEZNQCLSA-N -1 0 321.337 -0.374 20 0 DBADRM Cc1nccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600748643 1017722332 /nfs/dbraw/zinc/72/23/32/1017722332.db2.gz DHCHMRPKJFOAJI-GWOFURMSSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1ncc(CN2CC(O)(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001600736403 1017722428 /nfs/dbraw/zinc/72/24/28/1017722428.db2.gz YWJMKBYQGCNXNW-RYUDHWBXSA-N -1 0 320.349 -0.831 20 0 DBADRM Cc1ncc(CC(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001600736456 1017722686 /nfs/dbraw/zinc/72/26/86/1017722686.db2.gz PGKXSVHUQBTYNQ-RYUDHWBXSA-N -1 0 321.333 -0.085 20 0 DBADRM Cc1ncc(NC(=O)C(=O)NCCOCC(=O)[O-])c(C2CC2)n1 ZINC001600737806 1017722849 /nfs/dbraw/zinc/72/28/49/1017722849.db2.gz NSVSKQWGOZKIQI-UHFFFAOYSA-N -1 0 322.321 -0.182 20 0 DBADRM Cc1ncc(S(=O)(=O)N(C)CCC(N)=O)cc1C(=O)[O-] ZINC001600741364 1017722886 /nfs/dbraw/zinc/72/28/86/1017722886.db2.gz CYXGTWGWBFIARL-UHFFFAOYSA-N -1 0 301.324 -0.416 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)NC1(C(=O)[O-])CCC1 ZINC001600747540 1017723041 /nfs/dbraw/zinc/72/30/41/1017723041.db2.gz PNFXFGASPJLSMK-UHFFFAOYSA-N -1 0 313.335 -0.225 20 0 DBADRM Cc1ncc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)o1 ZINC001600736440 1017723188 /nfs/dbraw/zinc/72/31/88/1017723188.db2.gz OTWIYSALGCOAJC-VXGBXAGGSA-N -1 0 321.333 -0.083 20 0 DBADRM Cc1nccc(CCC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])n1 ZINC001600749124 1017723446 /nfs/dbraw/zinc/72/34/46/1017723446.db2.gz RMVAHZUFCHITDJ-NSHDSACASA-N -1 0 304.310 -0.421 20 0 DBADRM Cc1ncc(CN2CC(CCO)(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001600736125 1017723477 /nfs/dbraw/zinc/72/34/77/1017723477.db2.gz QFTPRFFIVDHVTE-NEPJUHHUSA-N -1 0 323.349 -0.243 20 0 DBADRM Cc1ncn(C)c1C(=O)NCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600758388 1017725160 /nfs/dbraw/zinc/72/51/60/1017725160.db2.gz NJWJVTGXLXXBIT-ZJUUUORDSA-N -1 0 308.338 -0.363 20 0 DBADRM Cc1ncoc1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600758143 1017725219 /nfs/dbraw/zinc/72/52/19/1017725219.db2.gz AIIDQPJTFBRTQU-VHSXEESVSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1ncncc1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600758208 1017725361 /nfs/dbraw/zinc/72/53/61/1017725361.db2.gz DCXKBKPSJZXXIL-NXEZZACHSA-N -1 0 306.322 -0.306 20 0 DBADRM Cc1ncoc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001600759144 1017725443 /nfs/dbraw/zinc/72/54/43/1017725443.db2.gz UETRUPVKOSFVJK-LADJIXMOSA-N -1 0 319.317 -0.110 20 0 DBADRM Cc1ncccc1CN1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600752974 1017725640 /nfs/dbraw/zinc/72/56/40/1017725640.db2.gz VHUYUYXMDPAXFB-QWHCGFSZSA-N -1 0 319.361 -0.226 20 0 DBADRM Cc1nccn1CC(=O)NCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001600754444 1017725740 /nfs/dbraw/zinc/72/57/40/1017725740.db2.gz ANSLUQSVFCABJU-UHFFFAOYSA-N -1 0 318.337 -0.068 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001600769037 1017726338 /nfs/dbraw/zinc/72/63/38/1017726338.db2.gz KIRLVTOPGGHKBG-KWQFWETISA-N -1 0 322.365 -0.058 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)NC[C@H](O)CC(=O)[O-] ZINC001600759880 1017726808 /nfs/dbraw/zinc/72/68/08/1017726808.db2.gz OZBKGJUNZMTUBX-MRVPVSSYSA-N -1 0 308.381 -0.251 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)Cn1nc(C(=O)[O-])ccc1=O ZINC001600770381 1017727148 /nfs/dbraw/zinc/72/71/48/1017727148.db2.gz MHDVUHJUOAJAPV-UHFFFAOYSA-N -1 0 305.294 -0.069 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)NC[C@@H](O)CC(=O)[O-] ZINC001600759881 1017727353 /nfs/dbraw/zinc/72/73/53/1017727353.db2.gz OZBKGJUNZMTUBX-QMMMGPOBSA-N -1 0 308.381 -0.251 20 0 DBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)NCCOCC(=O)[O-] ZINC001600767311 1017727599 /nfs/dbraw/zinc/72/75/99/1017727599.db2.gz IBRMIGYLFFIMCQ-UHFFFAOYSA-N -1 0 307.310 -0.255 20 0 DBADRM Cc1nn(CC(=O)N2CC[C@@](O)(C(=O)[O-])C2)c2ncccc12 ZINC001600778598 1017728209 /nfs/dbraw/zinc/72/82/09/1017728209.db2.gz KNZYPTWYSGUETL-AWEZNQCLSA-N -1 0 304.306 -0.212 20 0 DBADRM Cc1nn(C)cc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001600775721 1017728527 /nfs/dbraw/zinc/72/85/27/1017728527.db2.gz AIKHQUBOFPHXDE-SECBINFHSA-N -1 0 301.324 -0.948 20 0 DBADRM Cc1nn(C)cc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600776176 1017728557 /nfs/dbraw/zinc/72/85/57/1017728557.db2.gz LISZLRUNUAAXTO-MNOVXSKESA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@@H](C(=O)N[C@@]2(C(=O)[O-])CCOC2)C1 ZINC001600777558 1017728811 /nfs/dbraw/zinc/72/88/11/1017728811.db2.gz JNXCDCNWBGWISS-RISCZKNCSA-N -1 0 322.321 -0.419 20 0 DBADRM Cc1nn(C)cc1CC(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001600775598 1017728926 /nfs/dbraw/zinc/72/89/26/1017728926.db2.gz FVIKLKRDPYRONX-NSHDSACASA-N -1 0 309.322 -0.110 20 0 DBADRM Cc1nn(C)c(NC(=O)[C@]2(F)CCS(=O)(=O)C2)c1C(=O)[O-] ZINC001600773310 1017729052 /nfs/dbraw/zinc/72/90/52/1017729052.db2.gz OVWHUXYBPUOBIN-NSHDSACASA-N -1 0 319.314 -0.108 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC001600777351 1017729089 /nfs/dbraw/zinc/72/90/89/1017729089.db2.gz GADNDEQKFIYVDD-UHFFFAOYSA-N -1 0 302.356 -0.881 20 0 DBADRM Cc1nn(C)cc1CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001600775855 1017729292 /nfs/dbraw/zinc/72/92/92/1017729292.db2.gz KFKRFLJLYVPHDI-NSHDSACASA-N -1 0 308.338 -0.537 20 0 DBADRM Cc1nn(CC(=O)Nc2ccc(C(=O)[O-])c(O)c2)c(=O)n1C ZINC001600779745 1017729983 /nfs/dbraw/zinc/72/99/83/1017729983.db2.gz LMKSTQYAIJNEGJ-UHFFFAOYSA-N -1 0 306.278 -0.067 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@@H]1CCOC(=O)N1 ZINC001600781390 1017730032 /nfs/dbraw/zinc/73/00/32/1017730032.db2.gz RKSPIMZRZUMHPN-JTQLQIEISA-N -1 0 310.310 -0.301 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@@]1(C)CCNC1=O ZINC001600779354 1017730097 /nfs/dbraw/zinc/73/00/97/1017730097.db2.gz BATROTAZMAJDMP-AWEZNQCLSA-N -1 0 308.338 -0.273 20 0 DBADRM Cc1nn(CC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c(=O)n1C ZINC001600779292 1017730381 /nfs/dbraw/zinc/73/03/81/1017730381.db2.gz YWAUGRDQSLVTNQ-YGRLFVJLSA-N -1 0 308.338 -0.254 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@]1(C)CCNC1=O ZINC001600779355 1017730701 /nfs/dbraw/zinc/73/07/01/1017730701.db2.gz BATROTAZMAJDMP-CQSZACIVSA-N -1 0 308.338 -0.273 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@H]1CCOC(=O)N1 ZINC001600781391 1017730823 /nfs/dbraw/zinc/73/08/23/1017730823.db2.gz RKSPIMZRZUMHPN-SNVBAGLBSA-N -1 0 310.310 -0.301 20 0 DBADRM Cc1nn2cccnc2c1S(=O)(=O)NC[C@H](O)CC(=O)[O-] ZINC001600790857 1017730893 /nfs/dbraw/zinc/73/08/93/1017730893.db2.gz RBFYCGSDQNKJCX-MRVPVSSYSA-N -1 0 314.323 -0.848 20 0 DBADRM Cc1nn2cccnc2c1C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001600790220 1017731032 /nfs/dbraw/zinc/73/10/32/1017731032.db2.gz CUHNSGKUZPJZTO-ZJUUUORDSA-N -1 0 304.306 -0.055 20 0 DBADRM Cc1nn(CC(=O)N[C@@H](C(=O)[O-])c2ccccn2)c(=O)n1C ZINC001600780577 1017731283 /nfs/dbraw/zinc/73/12/83/1017731283.db2.gz KILGEUBLWXSDNF-LLVKDONJSA-N -1 0 305.294 -0.773 20 0 DBADRM Cc1nnccc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600799580 1017731829 /nfs/dbraw/zinc/73/18/29/1017731829.db2.gz AGCKICHKPYSVRT-NEPJUHHUSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1n[nH]c(=O)c(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1C ZINC001600798583 1017732273 /nfs/dbraw/zinc/73/22/73/1017732273.db2.gz NHVCLABMHNPTGE-SNVBAGLBSA-N -1 0 310.310 -0.206 20 0 DBADRM Cc1nnccc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600799600 1017732292 /nfs/dbraw/zinc/73/22/92/1017732292.db2.gz AUVKXOFABFXLMK-GHMZBOCLSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1nnc(CN2CC(CCO)(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001600793891 1017732612 /nfs/dbraw/zinc/73/26/12/1017732612.db2.gz DHGDUYLCCFWDQT-ZJUUUORDSA-N -1 0 324.337 -0.848 20 0 DBADRM Cc1nnc(CCN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])o1 ZINC001600794933 1017732837 /nfs/dbraw/zinc/73/28/37/1017732837.db2.gz BLPKVGADBLKLHM-SECBINFHSA-N -1 0 303.340 -0.506 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N[C@@](C)(CO)C(=O)[O-])c(F)c1 ZINC001600800443 1017733526 /nfs/dbraw/zinc/73/35/26/1017733526.db2.gz INARRYIKDGXOEV-ZDUSSCGKSA-N -1 0 323.284 -0.325 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])CC2 ZINC001600800058 1017733540 /nfs/dbraw/zinc/73/35/40/1017733540.db2.gz LMGNPDMDGGOHTA-CBAPKCEASA-N -1 0 310.310 -0.719 20 0 DBADRM Cc1noc(CN(C)C(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001600812596 1017733672 /nfs/dbraw/zinc/73/36/72/1017733672.db2.gz MFOPOHOXYIZACQ-UHFFFAOYSA-N -1 0 309.286 -0.491 20 0 DBADRM Cc1noc(CCCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC001600812132 1017733693 /nfs/dbraw/zinc/73/36/93/1017733693.db2.gz XGBKJTVSSCSGKO-SECBINFHSA-N -1 0 310.310 -0.498 20 0 DBADRM Cc1noc(C)c1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001600810303 1017733710 /nfs/dbraw/zinc/73/37/10/1017733710.db2.gz JGJPFFKWRYUSQQ-BDAKNGLRSA-N -1 0 311.294 -0.476 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)CC2 ZINC001600801087 1017733855 /nfs/dbraw/zinc/73/38/55/1017733855.db2.gz JIFMQBUBTDNNRO-YPMHNXCESA-N -1 0 322.365 -0.167 20 0 DBADRM Cc1noc(C2CN(C(=O)CN3CCC[C@H](C(=O)[O-])C3=O)C2)n1 ZINC001600813052 1017734002 /nfs/dbraw/zinc/73/40/02/1017734002.db2.gz JCKUZIVZKCDTRM-JTQLQIEISA-N -1 0 322.321 -0.373 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@H](C)CC(=O)[O-] ZINC001600810268 1017734452 /nfs/dbraw/zinc/73/44/52/1017734452.db2.gz XSUBUWIHGHMOMU-ZCFIWIBFSA-N -1 0 319.339 -0.451 20 0 DBADRM C[C@@H](CN(C)CCF)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001498324807 1017734496 /nfs/dbraw/zinc/73/44/96/1017734496.db2.gz CPYIYHOTDDMDER-QMMMGPOBSA-N -1 0 301.322 -0.379 20 0 DBADRM Cc1noc(C(C)(C)NC(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001600804758 1017734506 /nfs/dbraw/zinc/73/45/06/1017734506.db2.gz HMKARYVZENUGMS-UHFFFAOYSA-N -1 0 323.313 -0.098 20 0 DBADRM Cc1nocc1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001600816143 1017734934 /nfs/dbraw/zinc/73/49/34/1017734934.db2.gz PMYJEMMFFUDBPT-UHFFFAOYSA-N -1 0 302.308 -0.255 20 0 DBADRM Cc1noc(COc2ccc(C(=O)NC[C@H](O)C(=O)[O-])cn2)n1 ZINC001600814410 1017735167 /nfs/dbraw/zinc/73/51/67/1017735167.db2.gz FCEPHOZPBPKDRB-VIFPVBQESA-N -1 0 322.277 -0.473 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001600818051 1017735307 /nfs/dbraw/zinc/73/53/07/1017735307.db2.gz UYLRQYNWCWSDIN-VIFPVBQESA-N -1 0 318.293 -0.125 20 0 DBADRM Cc1nonc1C(=O)N1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600817359 1017735329 /nfs/dbraw/zinc/73/53/29/1017735329.db2.gz AZIWKSHDAVJNQS-VHSXEESVSA-N -1 0 322.321 -0.227 20 0 DBADRM Cc1nocc1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001600817741 1017735545 /nfs/dbraw/zinc/73/55/45/1017735545.db2.gz BKQBJSXDHOIOEI-VIFPVBQESA-N -1 0 300.296 -0.179 20 0 DBADRM Cc1noc(CN2CC(CCO)(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600813391 1017735617 /nfs/dbraw/zinc/73/56/17/1017735617.db2.gz ZCOHBZZWAGLAHI-UWVGGRQHSA-N -1 0 324.337 -0.848 20 0 DBADRM Cc1noc(Cl)c1CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001600814806 1017735625 /nfs/dbraw/zinc/73/56/25/1017735625.db2.gz KGJRHLDOTRDROJ-QMMMGPOBSA-N -1 0 315.713 -0.019 20 0 DBADRM Cc1nonc1CNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001600818613 1017735690 /nfs/dbraw/zinc/73/56/90/1017735690.db2.gz KGJUGBOQIQYDGB-LBPRGKRZSA-N -1 0 309.282 -0.107 20 0 DBADRM Cc1oc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1S(C)(=O)=O ZINC001600821677 1017735704 /nfs/dbraw/zinc/73/57/04/1017735704.db2.gz GOILVBLQICZKDF-LBPRGKRZSA-N -1 0 317.319 -0.347 20 0 DBADRM Cc1nonc1C(=O)N(C)CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600818745 1017735891 /nfs/dbraw/zinc/73/58/91/1017735891.db2.gz VWEXJZWAYLLVTD-BDAKNGLRSA-N -1 0 310.310 -0.323 20 0 DBADRM Cc1nocc1C(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1 ZINC001600816666 1017736088 /nfs/dbraw/zinc/73/60/88/1017736088.db2.gz JZONRHUAJDYWDA-MRVPVSSYSA-N -1 0 321.293 -0.904 20 0 DBADRM Cc1nonc1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600817602 1017736103 /nfs/dbraw/zinc/73/61/03/1017736103.db2.gz JALAINBTIZWJJX-UTINFBMNSA-N -1 0 322.321 -0.277 20 0 DBADRM Cc1nocc1C(=O)NC[C@@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001600817010 1017736243 /nfs/dbraw/zinc/73/62/43/1017736243.db2.gz UONWEMZRUKPPAM-SECBINFHSA-N -1 0 321.293 -0.326 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](O)C[C@H](O)C1 ZINC001600834365 1017737908 /nfs/dbraw/zinc/73/79/08/1017737908.db2.gz NEXHVKGUMHQFCT-OCAPTIKFSA-N -1 0 305.308 -0.598 20 0 DBADRM Cc1sc(S(N)(=O)=O)cc1C(=O)NCC[C@H](O)C(=O)[O-] ZINC001600889809 1017738732 /nfs/dbraw/zinc/73/87/32/1017738732.db2.gz WROYVSSUGVZKOC-ZETCQYMHSA-N -1 0 322.364 -0.731 20 0 DBADRM Cc1sc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)C(=O)[O-] ZINC001600889501 1017739063 /nfs/dbraw/zinc/73/90/63/1017739063.db2.gz IYZYXVPMKBBQHW-SCSAIBSYSA-N -1 0 321.332 -0.097 20 0 DBADRM Cc1occc(=O)c1OCC(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001600859468 1017739322 /nfs/dbraw/zinc/73/93/22/1017739322.db2.gz OQCPERVDFYAAMX-AWEZNQCLSA-N -1 0 311.290 -0.065 20 0 DBADRM Cc1occc(=O)c1OCC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001600859074 1017739615 /nfs/dbraw/zinc/73/96/15/1017739615.db2.gz LACROILVXGIBFV-UHFFFAOYSA-N -1 0 311.290 -0.235 20 0 DBADRM Cc1sc(S(N)(=O)=O)cc1C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001600889806 1017740022 /nfs/dbraw/zinc/74/00/22/1017740022.db2.gz WDOAIPREQKVZRI-LURJTMIESA-N -1 0 322.364 -0.731 20 0 DBADRM Cn1c(=O)cc(C(=O)N2CC(O)(C(=O)[O-])C2)c2ccccc21 ZINC001600896552 1017740619 /nfs/dbraw/zinc/74/06/19/1017740619.db2.gz OZOHVMVWLLTZIV-UHFFFAOYSA-N -1 0 302.286 -0.190 20 0 DBADRM Cn1c(=O)cc(N2CC[C@@H](NC(=O)CCCC(=O)[O-])C2)[nH]c1=O ZINC001600896047 1017740933 /nfs/dbraw/zinc/74/09/33/1017740933.db2.gz ILCPHSZTHLRHMI-SECBINFHSA-N -1 0 324.337 -0.564 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001600902834 1017740962 /nfs/dbraw/zinc/74/09/62/1017740962.db2.gz BEAXXDFGMOKDTL-LBPRGKRZSA-N -1 0 316.335 -0.997 20 0 DBADRM Cn1c(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)c[nH]c1=O ZINC001600899141 1017741017 /nfs/dbraw/zinc/74/10/17/1017741017.db2.gz XFRPABBLFNKSBP-DTWKUNHWSA-N -1 0 322.321 -0.869 20 0 DBADRM Cn1c(=O)ccn(CC(=O)OCc2cccc(C(=O)[O-])c2)c1=O ZINC001600896389 1017741238 /nfs/dbraw/zinc/74/12/38/1017741238.db2.gz IEBPBPKKYDLQHB-UHFFFAOYSA-N -1 0 318.285 -0.011 20 0 DBADRM Cn1c2ccccc2n(CC(=O)NCC[C@H](O)C(=O)[O-])c1=O ZINC001600894203 1017741280 /nfs/dbraw/zinc/74/12/80/1017741280.db2.gz BFIIEZMDLSALIH-NSHDSACASA-N -1 0 307.306 -0.708 20 0 DBADRM Cn1c(=O)[nH]c2ccc(C(=O)OCC(=O)NCC(=O)[O-])cc21 ZINC001600896199 1017741336 /nfs/dbraw/zinc/74/13/36/1017741336.db2.gz RTOXZPJSMRBQDP-UHFFFAOYSA-N -1 0 307.262 -0.364 20 0 DBADRM Cn1c(=O)oc2cc(S(=O)(=O)N[C@H](CF)C(=O)[O-])ccc21 ZINC001600897810 1017741475 /nfs/dbraw/zinc/74/14/75/1017741475.db2.gz LQSAJRLLGFKWLR-SSDOTTSWSA-N -1 0 318.282 -0.168 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N[C@H](CC(=O)[O-])c2ccncc2)c1=O ZINC001600895877 1017741685 /nfs/dbraw/zinc/74/16/85/1017741685.db2.gz LVNYGICGGBEZIC-SNVBAGLBSA-N -1 0 318.289 -0.173 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])cnc21 ZINC001600894190 1017741709 /nfs/dbraw/zinc/74/17/09/1017741709.db2.gz VEPCXGRUNDODLL-HTRCEHHLSA-N -1 0 318.289 -0.515 20 0 DBADRM Cn1c(C[C@@H](O)C2CC2)nnc1N1CCO[C@H](CC(=O)[O-])C1 ZINC001600913015 1017742601 /nfs/dbraw/zinc/74/26/01/1017742601.db2.gz WNHRACCBEBEGMG-GHMZBOCLSA-N -1 0 310.354 -0.192 20 0 DBADRM Cn1c([C@H]2CCCCC(=O)N2)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001600910311 1017742753 /nfs/dbraw/zinc/74/27/53/1017742753.db2.gz IWFISBNQZKOBSC-NXEZZACHSA-N -1 0 323.353 -0.164 20 0 DBADRM Cn1c(CO)nnc1S[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001600918332 1017742768 /nfs/dbraw/zinc/74/27/68/1017742768.db2.gz FHFWOTWNGQQYKG-QMMMGPOBSA-N -1 0 314.367 -0.135 20 0 DBADRM Cn1c(C[C@H]2CCNC(=O)C2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001600910825 1017743342 /nfs/dbraw/zinc/74/33/42/1017743342.db2.gz AKJHZWPGXPOUQP-ZJUUUORDSA-N -1 0 307.354 -0.205 20 0 DBADRM Cn1c(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)nnc1C1CC1 ZINC001600922021 1017745002 /nfs/dbraw/zinc/74/50/02/1017745002.db2.gz ROTDZAWIPKPDDC-VIFPVBQESA-N -1 0 321.337 -0.046 20 0 DBADRM Cn1cc(C(=O)CCC(=O)NCCn2cc(C(=O)[O-])nn2)cn1 ZINC001600927873 1017745286 /nfs/dbraw/zinc/74/52/86/1017745286.db2.gz JCAHZYVSBFGMAF-UHFFFAOYSA-N -1 0 320.309 -0.511 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001600921571 1017745356 /nfs/dbraw/zinc/74/53/56/1017745356.db2.gz FNDSPMHZRMIHLU-HTRCEHHLSA-N -1 0 323.758 -0.328 20 0 DBADRM Cn1c(CO)nc2cc(C(=O)NC[C@@](C)(O)C(=O)[O-])ccc21 ZINC001600919353 1017745557 /nfs/dbraw/zinc/74/55/57/1017745557.db2.gz SZHYGKMINQTVHO-CQSZACIVSA-N -1 0 307.306 -0.369 20 0 DBADRM Cn1cc(C(=O)CCC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001600927915 1017745637 /nfs/dbraw/zinc/74/56/37/1017745637.db2.gz LBLGAVVCGVVCJZ-DGCLKSJQSA-N -1 0 309.322 -0.181 20 0 DBADRM Cn1cc(C(=O)COC(=O)CCc2ocnc2C(=O)[O-])nn1 ZINC001600928399 1017745749 /nfs/dbraw/zinc/74/57/49/1017745749.db2.gz GHBMMPZYDIFCQE-UHFFFAOYSA-N -1 0 308.250 -0.140 20 0 DBADRM Cn1c(SC[C@H](O)CC(=O)[O-])nnc1N1CCOCC1 ZINC001600921525 1017745829 /nfs/dbraw/zinc/74/58/29/1017745829.db2.gz LLKCEZCYASNZOQ-MRVPVSSYSA-N -1 0 302.356 -0.421 20 0 DBADRM Cn1cc(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cn1 ZINC001600929340 1017746776 /nfs/dbraw/zinc/74/67/76/1017746776.db2.gz MCXSNDLTRCRBCN-VXGBXAGGSA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]c1=O ZINC001600928940 1017746854 /nfs/dbraw/zinc/74/68/54/1017746854.db2.gz KNWKCNJOYCZDBX-RKDXNWHRSA-N -1 0 322.321 -0.965 20 0 DBADRM Cn1cc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)[nH]c1=O ZINC001600928871 1017747256 /nfs/dbraw/zinc/74/72/56/1017747256.db2.gz PPCOGIWCMIMIFY-ZETCQYMHSA-N -1 0 306.282 -0.497 20 0 DBADRM Cn1cc(C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)[nH]c1=O ZINC001600928968 1017747445 /nfs/dbraw/zinc/74/74/45/1017747445.db2.gz SMGBNWGJZGOIJG-UHFFFAOYSA-N -1 0 320.309 -0.107 20 0 DBADRM Cn1cc(C(=O)N[C@@H](C(=O)[O-])c2cccnc2)c(=O)[nH]c1=O ZINC001600928639 1017747608 /nfs/dbraw/zinc/74/76/08/1017747608.db2.gz IRCRQLFJDPKZPE-SECBINFHSA-N -1 0 304.262 -0.563 20 0 DBADRM Cn1cc(C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cn1 ZINC001600929744 1017747804 /nfs/dbraw/zinc/74/78/04/1017747804.db2.gz DTKXZRYQJYXTTC-VHSXEESVSA-N -1 0 306.322 -0.481 20 0 DBADRM Cn1cc(C(=O)NCC=CCNc2ccnc(C(=O)[O-])n2)nn1 ZINC001600930016 1017748131 /nfs/dbraw/zinc/74/81/31/1017748131.db2.gz MOJHZJJOHXBYJD-NSCUHMNNSA-N -1 0 317.309 -0.877 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CCN(c3ncc(C(=O)[O-])cn3)C2)cn1 ZINC001600930617 1017748263 /nfs/dbraw/zinc/74/82/63/1017748263.db2.gz ZWUYWUMJDFIBAG-NSHDSACASA-N -1 0 316.321 -0.083 20 0 DBADRM Cn1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(Cl)n1 ZINC001600928481 1017748295 /nfs/dbraw/zinc/74/82/95/1017748295.db2.gz IIOCZURAECUFFZ-SSDOTTSWSA-N -1 0 321.742 -0.603 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001600930312 1017748353 /nfs/dbraw/zinc/74/83/53/1017748353.db2.gz SRQBGKMGBLTILH-DBIOUOCHSA-N -1 0 306.322 -0.482 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2CCS(=O)(=O)CC2)n1 ZINC001600934261 1017748841 /nfs/dbraw/zinc/74/88/41/1017748841.db2.gz BIAZGLQMQKBVSQ-UHFFFAOYSA-N -1 0 302.312 -0.619 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)n1 ZINC001600934401 1017748915 /nfs/dbraw/zinc/74/89/15/1017748915.db2.gz GQXLNJVDUXDKTO-ZETCQYMHSA-N -1 0 316.339 -0.326 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])cn1 ZINC001600942567 1017749946 /nfs/dbraw/zinc/74/99/46/1017749946.db2.gz JVYFELXKNKLGDE-GXSJLCMTSA-N -1 0 313.310 -0.824 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cn1 ZINC001600940428 1017750045 /nfs/dbraw/zinc/75/00/45/1017750045.db2.gz LNJVLONTUGCODG-DGCLKSJQSA-N -1 0 311.338 -0.064 20 0 DBADRM Cn1cc([C@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)CCN2)cn1 ZINC001600943794 1017750115 /nfs/dbraw/zinc/75/01/15/1017750115.db2.gz LZDQMMQNKSZFLD-UTUOFQBUSA-N -1 0 308.338 -0.475 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)Nc2cc(C(=O)[O-])nn2C)cn1 ZINC001600942889 1017751084 /nfs/dbraw/zinc/75/10/84/1017751084.db2.gz SODAZDHJZGUKOL-SECBINFHSA-N -1 0 308.298 -0.293 20 0 DBADRM Cn1cc(C[C@@H](CO)NC(=O)Cc2ccc(C(=O)[O-])nc2)cn1 ZINC001600949227 1017751647 /nfs/dbraw/zinc/75/16/47/1017751647.db2.gz ZIEVJAMZFCWUQT-LBPRGKRZSA-N -1 0 318.333 -0.224 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001600947000 1017752081 /nfs/dbraw/zinc/75/20/81/1017752081.db2.gz XLHUKPWFHMGTGF-GYHQZXBOSA-N -1 0 321.333 -0.533 20 0 DBADRM Cn1cc(C[C@H](CO)NC(=O)Cc2ccc(C(=O)[O-])nc2)cn1 ZINC001600949216 1017752151 /nfs/dbraw/zinc/75/21/51/1017752151.db2.gz ZIEVJAMZFCWUQT-GFCCVEGCSA-N -1 0 318.333 -0.224 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)cn1 ZINC001600950686 1017752229 /nfs/dbraw/zinc/75/22/29/1017752229.db2.gz KFDFQUBPFHDSQJ-UHFFFAOYSA-N -1 0 320.309 -0.851 20 0 DBADRM Cn1cc(CCC(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001600948978 1017752337 /nfs/dbraw/zinc/75/23/37/1017752337.db2.gz QTBWOFNGKRJAIG-NWDGAFQWSA-N -1 0 320.349 -0.600 20 0 DBADRM Cn1cc(CCCNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1 ZINC001600950419 1017752817 /nfs/dbraw/zinc/75/28/17/1017752817.db2.gz UQPNNGMWLNUWOD-VXGBXAGGSA-N -1 0 310.354 -0.170 20 0 DBADRM Cn1cc(CCCNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001600950417 1017753202 /nfs/dbraw/zinc/75/32/02/1017753202.db2.gz UQPNNGMWLNUWOD-NWDGAFQWSA-N -1 0 310.354 -0.170 20 0 DBADRM Cn1cc(CN(CCn2ccnc2)C(=O)COCC(=O)[O-])cn1 ZINC001600952282 1017753367 /nfs/dbraw/zinc/75/33/67/1017753367.db2.gz QODUQPKCAREZMH-UHFFFAOYSA-N -1 0 321.337 -0.253 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)CC2)cn1 ZINC001600959076 1017754114 /nfs/dbraw/zinc/75/41/14/1017754114.db2.gz OOLAIWSEQWWXLL-NEPJUHHUSA-N -1 0 308.338 -0.299 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])ccc1=O ZINC001600959861 1017754128 /nfs/dbraw/zinc/75/41/28/1017754128.db2.gz VLIYSKLHZNJDRU-ZJUUUORDSA-N -1 0 307.306 -0.307 20 0 DBADRM Cn1cc(Cl)c(C(=O)NCCC(=O)NCCC(=O)[O-])n1 ZINC001600956919 1017754751 /nfs/dbraw/zinc/75/47/51/1017754751.db2.gz MHICVHSQMNZBGT-UHFFFAOYSA-N -1 0 302.718 -0.216 20 0 DBADRM Cn1cc(N2CCC[C@@H](NC(=O)N3CC(O)(C(=O)[O-])C3)C2)cn1 ZINC001600958102 1017754927 /nfs/dbraw/zinc/75/49/27/1017754927.db2.gz HOYFFCJBNFSADL-SNVBAGLBSA-N -1 0 323.353 -0.770 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)ccc1=O ZINC001600958577 1017754979 /nfs/dbraw/zinc/75/49/79/1017754979.db2.gz HUIYPPSSLZQALL-CQSZACIVSA-N -1 0 323.305 -0.926 20 0 DBADRM Cn1cc(CNC(=O)NC[C@H](CC(=O)[O-])C2CC2)c(=O)[nH]c1=O ZINC001600953776 1017755059 /nfs/dbraw/zinc/75/50/59/1017755059.db2.gz MWJDDVVNPNAGFV-VIFPVBQESA-N -1 0 324.337 -0.214 20 0 DBADRM Cn1cc(CNC(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nn1 ZINC001600953652 1017755187 /nfs/dbraw/zinc/75/51/87/1017755187.db2.gz JXPSIDMTFYNJEM-WDEREUQCSA-N -1 0 321.337 -1.000 20 0 DBADRM Cn1cc(CNC(=O)C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cn1 ZINC001600953357 1017755264 /nfs/dbraw/zinc/75/52/64/1017755264.db2.gz CIBSXXXCBOMBTE-CQSZACIVSA-N -1 0 308.338 -0.250 20 0 DBADRM Cn1cc(N2CCN(CN3C[C@H](C(=O)[O-])CC3=O)CC2)cn1 ZINC001600958393 1017755862 /nfs/dbraw/zinc/75/58/62/1017755862.db2.gz DKBRIKRDZHYTOX-LLVKDONJSA-N -1 0 307.354 -0.567 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2=O)cn1 ZINC001600962210 1017756177 /nfs/dbraw/zinc/75/61/77/1017756177.db2.gz RNBAIERUPGDSDC-BBBLOLIVSA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)Nc3c[nH]nc3C(=O)[O-])CC2=O)cn1 ZINC001600962365 1017758510 /nfs/dbraw/zinc/75/85/10/1017758510.db2.gz WIXMIIIMDJXKTR-ZETCQYMHSA-N -1 0 318.293 -0.167 20 0 DBADRM Cn1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001600971293 1017759021 /nfs/dbraw/zinc/75/90/21/1017759021.db2.gz RLLBLDJMPMAUED-KUNJHIDRSA-N -1 0 318.333 -0.673 20 0 DBADRM Cn1ccc(-n2cc(CN3CCO[C@H](CC(=O)[O-])C3)nn2)n1 ZINC001600972281 1017760974 /nfs/dbraw/zinc/76/09/74/1017760974.db2.gz UXGPGVGDERTITC-LLVKDONJSA-N -1 0 306.326 -0.324 20 0 DBADRM Cn1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600970876 1017761567 /nfs/dbraw/zinc/76/15/67/1017761567.db2.gz GWCNGFDNRAMSFI-ZJUUUORDSA-N -1 0 306.322 -0.671 20 0 DBADRM Cn1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600971298 1017761605 /nfs/dbraw/zinc/76/16/05/1017761605.db2.gz RLLBLDJMPMAUED-OFKSJOQMSA-N -1 0 318.333 -0.673 20 0 DBADRM Cn1ccc(=O)n(CCCNC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1=O ZINC001600971436 1017762230 /nfs/dbraw/zinc/76/22/30/1017762230.db2.gz UFVPDNYAZHTNEY-VHSXEESVSA-N -1 0 309.322 -0.836 20 0 DBADRM Cn1ccc([C@H](NC(=O)c2cnc3n[nH]nc3c2)C(=O)[O-])n1 ZINC001600973061 1017762579 /nfs/dbraw/zinc/76/25/79/1017762579.db2.gz FOQHMOOCVGTCTE-VIFPVBQESA-N -1 0 301.266 -0.358 20 0 DBADRM Cn1ccc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cc1=O ZINC001600972699 1017763231 /nfs/dbraw/zinc/76/32/31/1017763231.db2.gz RNHHHLWRUAPCIR-QWRGUYRKSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1ccc(S(=O)(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)n1 ZINC001600977658 1017763421 /nfs/dbraw/zinc/76/34/21/1017763421.db2.gz YBXOEJBBSKQHEG-LLVKDONJSA-N -1 0 314.323 -0.586 20 0 DBADRM Cn1ccc(CC(=O)O[C@@H]2COC[C@H]2n2cc(C(=O)[O-])nn2)n1 ZINC001600974315 1017763560 /nfs/dbraw/zinc/76/35/60/1017763560.db2.gz XUTLPNWDPSJTHW-GHMZBOCLSA-N -1 0 321.293 -0.564 20 0 DBADRM Cn1ccc(NC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cc1=O ZINC001600974815 1017764333 /nfs/dbraw/zinc/76/43/33/1017764333.db2.gz GRTXYUCJDSRTGH-JTQLQIEISA-N -1 0 322.321 -0.418 20 0 DBADRM Cn1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600972712 1017765587 /nfs/dbraw/zinc/76/55/87/1017765587.db2.gz RTCNQQUGVFXSRO-YTWAJWBKSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1ccc(CN2CC(CCO)(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600976887 1017765892 /nfs/dbraw/zinc/76/58/92/1017765892.db2.gz VYCYAFINAJUEDA-VXGBXAGGSA-N -1 0 322.365 -0.806 20 0 DBADRM Cn1ccnc1CN1CCC(C(=O)NC[C@H](O)CC(=O)[O-])CC1 ZINC001600985655 1017766431 /nfs/dbraw/zinc/76/64/31/1017766431.db2.gz VPPFJBUTMMESJY-GFCCVEGCSA-N -1 0 324.381 -0.416 20 0 DBADRM Cn1cccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)c1=O ZINC001600979389 1017766477 /nfs/dbraw/zinc/76/64/77/1017766477.db2.gz HYUJZJGCRODJJQ-SECBINFHSA-N -1 0 307.306 -0.353 20 0 DBADRM Cn1cccc(NC(=O)NCCn2cc(C(=O)[O-])nn2)c1=O ZINC001600979180 1017766594 /nfs/dbraw/zinc/76/65/94/1017766594.db2.gz CMUHJLCIUUMWCU-UHFFFAOYSA-N -1 0 306.282 -0.503 20 0 DBADRM Cn1cccc(NC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1=O ZINC001600979828 1017766695 /nfs/dbraw/zinc/76/66/95/1017766695.db2.gz ZYLHIRAJGFZYCO-SNVBAGLBSA-N -1 0 322.321 -0.418 20 0 DBADRM Cn1ccnc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001600985638 1017766958 /nfs/dbraw/zinc/76/69/58/1017766958.db2.gz UUTHVFHZPLAQED-BONVTDFDSA-N -1 0 320.349 -0.250 20 0 DBADRM Cn1cccc(NC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1=O ZINC001600979545 1017769165 /nfs/dbraw/zinc/76/91/65/1017769165.db2.gz NOZXXVYOQHOLGE-UHFFFAOYSA-N -1 0 318.293 -0.236 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c1=O ZINC001600979594 1017769679 /nfs/dbraw/zinc/76/96/79/1017769679.db2.gz PMPPPBZQKUNXBE-BDAKNGLRSA-N -1 0 307.306 -0.307 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])n1 ZINC001600989166 1017770285 /nfs/dbraw/zinc/77/02/85/1017770285.db2.gz XDTJOLYUKUALMO-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cn1ccc([C@@H](NC(=O)/C=C\CN2CCOCC2)C(=O)[O-])n1 ZINC001600990125 1017770628 /nfs/dbraw/zinc/77/06/28/1017770628.db2.gz OHKQDJJCKCGUEY-XQJDBVBESA-N -1 0 308.338 -0.450 20 0 DBADRM Cn1cnc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001600987743 1017770857 /nfs/dbraw/zinc/77/08/57/1017770857.db2.gz TYWZXKJWNZPQKH-XWLWVQCSSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1cnc(C(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])cc1=O ZINC001600987440 1017770985 /nfs/dbraw/zinc/77/09/85/1017770985.db2.gz PARLPLFWZOUYSS-KOLCDFICSA-N -1 0 309.322 -0.220 20 0 DBADRM Cn1cnc(-c2ccc(C(=O)NCC(=O)NCC(=O)[O-])cc2)n1 ZINC001600988162 1017771350 /nfs/dbraw/zinc/77/13/50/1017771350.db2.gz GOXJYIFQPKJOIS-UHFFFAOYSA-N -1 0 317.305 -0.587 20 0 DBADRM Cn1cnc(CCNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)c1 ZINC001600988713 1017771374 /nfs/dbraw/zinc/77/13/74/1017771374.db2.gz AEQCCFMNAAQHMI-LLVKDONJSA-N -1 0 308.338 -0.598 20 0 DBADRM Cn1cnc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600988117 1017771509 /nfs/dbraw/zinc/77/15/09/1017771509.db2.gz ZOOCPVRUGWWLSN-UTINFBMNSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1cnc(NC(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)cc1=O ZINC001600989747 1017771597 /nfs/dbraw/zinc/77/15/97/1017771597.db2.gz QMNWYFUJGPLQAL-IUCAKERBSA-N -1 0 310.310 -0.361 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])c1 ZINC001600991037 1017772389 /nfs/dbraw/zinc/77/23/89/1017772389.db2.gz NJDAEPMCXKGOJQ-LLVKDONJSA-N -1 0 313.339 -0.562 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)N2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC001600989107 1017772507 /nfs/dbraw/zinc/77/25/07/1017772507.db2.gz VBYSARXBKFSDKL-AWEZNQCLSA-N -1 0 308.338 -0.250 20 0 DBADRM Cn1ccc([C@@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C(=O)[O-])n1 ZINC001600989461 1017773019 /nfs/dbraw/zinc/77/30/19/1017773019.db2.gz MSWSRFMULDHVKY-WRWORJQWSA-N -1 0 304.310 -0.100 20 0 DBADRM Cn1cnn(CCC(=O)N2CCSC[C@H](C(=O)[O-])C2)c1=O ZINC001600995002 1017773894 /nfs/dbraw/zinc/77/38/94/1017773894.db2.gz BCZOETCRJSDHDJ-SECBINFHSA-N -1 0 314.367 -0.752 20 0 DBADRM Cn1cnnc1[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001600994635 1017774779 /nfs/dbraw/zinc/77/47/79/1017774779.db2.gz OLJYGQDBMLUUAD-VIFPVBQESA-N -1 0 319.325 -0.489 20 0 DBADRM Cn1cncc1CCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001600993454 1017776475 /nfs/dbraw/zinc/77/64/75/1017776475.db2.gz PCKWSYRLRSMGQC-SNVBAGLBSA-N -1 0 315.351 -0.937 20 0 DBADRM Cn1cnc2cc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])ccc21 ZINC001600992562 1017777057 /nfs/dbraw/zinc/77/70/57/1017777057.db2.gz ARBYJTDMERSFEJ-LBPRGKRZSA-N -1 0 313.335 -0.313 20 0 DBADRM Cn1cnn(CCC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1=O ZINC001600996660 1017777957 /nfs/dbraw/zinc/77/79/57/1017777957.db2.gz YTFHCXHPCKDRMB-HZMBPMFUSA-N -1 0 308.338 -0.315 20 0 DBADRM Cn1cnnc1CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC001600996111 1017778206 /nfs/dbraw/zinc/77/82/06/1017778206.db2.gz JOPBLDZMGLTSMK-GHMZBOCLSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1cnnc1CNC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCC1 ZINC001600996494 1017778388 /nfs/dbraw/zinc/77/83/88/1017778388.db2.gz WVLGTEQJQULMDY-UWVGGRQHSA-N -1 0 307.354 -0.336 20 0 DBADRM Cn1cnnc1[C@@H]1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001600995775 1017779370 /nfs/dbraw/zinc/77/93/70/1017779370.db2.gz BCPVXMFFGUGBGL-BBBLOLIVSA-N -1 0 314.367 -0.203 20 0 DBADRM Cn1cnnc1[C@@H]1CCN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC001600995980 1017779401 /nfs/dbraw/zinc/77/94/01/1017779401.db2.gz GZVHOLCPGCNRIG-SECBINFHSA-N -1 0 302.356 -0.201 20 0 DBADRM Cn1cnnc1COCC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001600995534 1017779461 /nfs/dbraw/zinc/77/94/61/1017779461.db2.gz FZFSKVYPRJYIHK-RCOVLWMOSA-N -1 0 304.253 -0.586 20 0 DBADRM Cn1cnnc1S(=O)(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001600995406 1017779789 /nfs/dbraw/zinc/77/97/89/1017779789.db2.gz QTBGRUTVMWCIDI-KWQFWETISA-N -1 0 300.340 -0.310 20 0 DBADRM Cn1cnnc1CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001600996179 1017779926 /nfs/dbraw/zinc/77/99/26/1017779926.db2.gz PSAVZSCTISIXNI-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cn1cnnc1CN1CC=C(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600996379 1017779999 /nfs/dbraw/zinc/77/99/99/1017779999.db2.gz PBJDYCAKNZMWPP-NEPJUHHUSA-N -1 0 319.365 -0.216 20 0 DBADRM Cn1cnnc1CCCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001600995946 1017780049 /nfs/dbraw/zinc/78/00/49/1017780049.db2.gz GIJUVZACUTUCPT-JTQLQIEISA-N -1 0 323.353 -0.813 20 0 DBADRM Cn1cnnc1COCC(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001600996013 1017780502 /nfs/dbraw/zinc/78/05/02/1017780502.db2.gz OVCYJOZDDRGDJH-UHFFFAOYSA-N -1 0 305.294 -0.259 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)CCC[C@@]1(C)NC(=O)NC1=O ZINC001601002812 1017781988 /nfs/dbraw/zinc/78/19/88/1017781988.db2.gz ICWHAMIKIHCJGL-CYBMUJFWSA-N -1 0 323.309 -0.175 20 0 DBADRM Cn1nc(C2CC2)cc1C(=O)NCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001601012517 1017784013 /nfs/dbraw/zinc/78/40/13/1017784013.db2.gz AUXNMFBJGZHQLZ-VHSXEESVSA-N -1 0 320.349 -0.136 20 0 DBADRM Cn1ncc(CN2CCC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001601026214 1017784860 /nfs/dbraw/zinc/78/48/60/1017784860.db2.gz KYSCYOZFAFUWEC-RYUDHWBXSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCOCCF ZINC001601023639 1017784906 /nfs/dbraw/zinc/78/49/06/1017784906.db2.gz SHWBKDPPCIMLNM-UHFFFAOYSA-N -1 0 302.262 -0.841 20 0 DBADRM Cn1ncc(C(=O)NC2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001601022177 1017785049 /nfs/dbraw/zinc/78/50/49/1017785049.db2.gz ZRKZCAWNKJCSHQ-VHSXEESVSA-N -1 0 321.337 -0.743 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)NCCC1CS(=O)(=O)C1 ZINC001601024710 1017786379 /nfs/dbraw/zinc/78/63/79/1017786379.db2.gz NCRZJTOPGJRRGZ-UHFFFAOYSA-N -1 0 316.339 -0.326 20 0 DBADRM Cn1ncc(C(=O)NC2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001601022176 1017786546 /nfs/dbraw/zinc/78/65/46/1017786546.db2.gz ZRKZCAWNKJCSHQ-UWVGGRQHSA-N -1 0 321.337 -0.743 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCC1(C)CCOCC1 ZINC001601024050 1017787495 /nfs/dbraw/zinc/78/74/95/1017787495.db2.gz XJRNNVILFBCNHT-UHFFFAOYSA-N -1 0 324.337 -0.010 20 0 DBADRM Cn1nccc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001601031398 1017788085 /nfs/dbraw/zinc/78/80/85/1017788085.db2.gz BDFLEVODMZJDFM-VLEAKVRGSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001601027398 1017788320 /nfs/dbraw/zinc/78/83/20/1017788320.db2.gz HMWOVCPBQMAKBF-JGVFFNPUSA-N -1 0 323.758 -0.328 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)N1CC[C@@H]1C(=O)[O-])[nH]c2=O ZINC001601030150 1017789059 /nfs/dbraw/zinc/78/90/59/1017789059.db2.gz YWGLVYCZAUSDIO-MRVPVSSYSA-N -1 0 305.294 -0.313 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-] ZINC001601028258 1017789091 /nfs/dbraw/zinc/78/90/91/1017789091.db2.gz ZDGKFUIIRMLQSA-LURJTMIESA-N -1 0 311.747 -0.424 20 0 DBADRM Cn1nccc1[C@@H](CO)N[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001601031467 1017789365 /nfs/dbraw/zinc/78/93/65/1017789365.db2.gz FNTVHSWMPNPSKM-GHMZBOCLSA-N -1 0 310.354 -0.491 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N[C@H](CC1OCCO1)C(=O)[O-])CC2 ZINC001601030468 1017789729 /nfs/dbraw/zinc/78/97/29/1017789729.db2.gz ARWXPWONBXFVEY-MWLCHTKSSA-N -1 0 323.349 -0.143 20 0 DBADRM Cn1ncc(CNC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CCC2)n1 ZINC001601027832 1017789865 /nfs/dbraw/zinc/78/98/65/1017789865.db2.gz RYXSZKSOBPQOHV-QWRGUYRKSA-N -1 0 307.354 -0.336 20 0 DBADRM Cn1nccc1-c1nnc(N2CCO[C@@H](CC(=O)[O-])C2)n1C ZINC001601031724 1017789913 /nfs/dbraw/zinc/78/99/13/1017789913.db2.gz HFXYLAILNDKEAO-VIFPVBQESA-N -1 0 306.326 -0.105 20 0 DBADRM Cn1ncc2c1nc(CN[C@@]1(CC(=O)[O-])CCOC1)[nH]c2=O ZINC001601030152 1017790396 /nfs/dbraw/zinc/79/03/96/1017790396.db2.gz YXFKHHWPUYYGTE-CYBMUJFWSA-N -1 0 307.310 -0.208 20 0 DBADRM Cn1nccc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001601031397 1017790542 /nfs/dbraw/zinc/79/05/42/1017790542.db2.gz BDFLEVODMZJDFM-LMLFDSFASA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1ncc(CCC(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)n1 ZINC001601027884 1017791145 /nfs/dbraw/zinc/79/11/45/1017791145.db2.gz UUNKLUIDQDFFFS-SNVBAGLBSA-N -1 0 310.310 -0.634 20 0 DBADRM Cn1nccc1[C@H]1COCCN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001601038369 1017794234 /nfs/dbraw/zinc/79/42/34/1017794234.db2.gz UBPAEHGJXCAABR-GFCCVEGCSA-N -1 0 319.321 -0.085 20 0 DBADRM Cn1nccc1[C@@H]1COCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001601037567 1017794875 /nfs/dbraw/zinc/79/48/75/1017794875.db2.gz IPBVXEKHCOODLY-TUAOUCFPSA-N -1 0 309.322 -0.048 20 0 DBADRM Cn1nccc1CNC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001601039413 1017795748 /nfs/dbraw/zinc/79/57/48/1017795748.db2.gz JOEGKWRNIRQBPV-CQSZACIVSA-N -1 0 308.338 -0.250 20 0 DBADRM Cn1ncnc1CN1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601038693 1017795994 /nfs/dbraw/zinc/79/59/94/1017795994.db2.gz HYAISJOUKHFZRP-MNOVXSKESA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1nnc(CNC2(C)CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001601040926 1017797015 /nfs/dbraw/zinc/79/70/15/1017797015.db2.gz VKTAVZIOQVFEIK-ZJUUUORDSA-N -1 0 322.369 -0.599 20 0 DBADRM Cn1nccc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001601039896 1017797460 /nfs/dbraw/zinc/79/74/60/1017797460.db2.gz VCHLLQLAXJHQQJ-JZRPKSSGSA-N -1 0 304.350 -0.313 20 0 DBADRM Cn1ncn(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1=O ZINC001601040242 1017797570 /nfs/dbraw/zinc/79/75/70/1017797570.db2.gz WDCIFSXJSNEEFP-LBPRGKRZSA-N -1 0 316.317 -0.380 20 0 DBADRM Cn1nccc1S(=O)(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001601040014 1017798136 /nfs/dbraw/zinc/79/81/36/1017798136.db2.gz SANXXOXASOUTKZ-UHFFFAOYSA-N -1 0 317.367 -0.030 20 0 DBADRM Cn1nncc1C(=O)NCCCNc1ncc(C(=O)[O-])cn1 ZINC001601042177 1017798966 /nfs/dbraw/zinc/79/89/66/1017798966.db2.gz JGMGOXNTOMSMPS-UHFFFAOYSA-N -1 0 305.298 -0.465 20 0 DBADRM Cn1nncc1C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001601043225 1017800283 /nfs/dbraw/zinc/80/02/83/1017800283.db2.gz WVNKEBFDKDAXAL-UHFFFAOYSA-N -1 0 305.298 -0.418 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)CC2 ZINC001601043505 1017800359 /nfs/dbraw/zinc/80/03/59/1017800359.db2.gz UKVZTGUFHPIOJN-OPRDCNLKSA-N -1 0 308.338 -0.786 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001601043049 1017800863 /nfs/dbraw/zinc/80/08/63/1017800863.db2.gz MQVNNWVMUFQJOP-UHFFFAOYSA-N -1 0 303.278 -0.748 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001601044594 1017800993 /nfs/dbraw/zinc/80/09/93/1017800993.db2.gz GRKUTBVKZWFERJ-KCJUWKMLSA-N -1 0 300.340 -0.167 20 0 DBADRM Cn1nnnc1CCCNC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001601044240 1017801323 /nfs/dbraw/zinc/80/13/23/1017801323.db2.gz KSSJZEDGCDSHKI-SNVBAGLBSA-N -1 0 310.358 -0.057 20 0 DBADRM Cn1nnnc1CCNS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001601046012 1017802111 /nfs/dbraw/zinc/80/21/11/1017802111.db2.gz JCWNWQWKRSVLQP-UHFFFAOYSA-N -1 0 317.352 -0.509 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1cnccn1 ZINC001498426679 1017802149 /nfs/dbraw/zinc/80/21/49/1017802149.db2.gz GIWNROFBYACNPF-JTQLQIEISA-N -1 0 319.369 -0.130 20 0 DBADRM Cn1nnnc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001601046600 1017802239 /nfs/dbraw/zinc/80/22/39/1017802239.db2.gz OFBHHNGZUZIBEH-ZRUFSTJUSA-N -1 0 320.353 -0.894 20 0 DBADRM NC(=O)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(C(=O)[O-])n1 ZINC001601137350 1017808545 /nfs/dbraw/zinc/80/85/45/1017808545.db2.gz NZHVSDPYZFCRQM-IUCAKERBSA-N -1 0 319.321 -0.770 20 0 DBADRM NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001601137376 1017808598 /nfs/dbraw/zinc/80/85/98/1017808598.db2.gz OZHXFKYLVFZLSG-RCZSTQMZSA-N -1 0 323.349 -0.922 20 0 DBADRM NC(=O)C(=O)N[C@H]1CC12CCN(c1ccnc(C(=O)[O-])n1)CC2 ZINC001601137361 1017808753 /nfs/dbraw/zinc/80/87/53/1017808753.db2.gz OHVSMXWYIXXMSV-QMMMGPOBSA-N -1 0 319.321 -0.865 20 0 DBADRM NC(=O)C1(NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC001601138928 1017808901 /nfs/dbraw/zinc/80/89/01/1017808901.db2.gz OLLIXPRKYJLXJD-UHFFFAOYSA-N -1 0 305.290 -0.614 20 0 DBADRM NC(=O)C1(NCC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC1 ZINC001601138519 1017809048 /nfs/dbraw/zinc/80/90/48/1017809048.db2.gz JFUVBCLVGYQRGU-LBPRGKRZSA-N -1 0 317.345 -0.368 20 0 DBADRM NC(=O)[C@@]1(NS(=O)(=O)CCCCCC(=O)[O-])CCOC1 ZINC001601138513 1017809059 /nfs/dbraw/zinc/80/90/59/1017809059.db2.gz JBDTXEFOJQRONS-LLVKDONJSA-N -1 0 308.356 -0.805 20 0 DBADRM NC(=O)C1(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)CCC1 ZINC001601139797 1017809099 /nfs/dbraw/zinc/80/90/99/1017809099.db2.gz QLZSJBDEMHGFEZ-UHFFFAOYSA-N -1 0 312.322 -0.492 20 0 DBADRM NC(=O)C1(CNS(=O)(=O)CC2(C(=O)[O-])CC2)CCOCC1 ZINC001601138857 1017809156 /nfs/dbraw/zinc/80/91/56/1017809156.db2.gz GPLIGYMRJJVOAC-UHFFFAOYSA-N -1 0 320.367 -0.947 20 0 DBADRM NC(=O)[C@H](NCc1cn(CC(=O)[O-])nn1)c1ccc(F)cc1 ZINC001601139667 1017809193 /nfs/dbraw/zinc/80/91/93/1017809193.db2.gz NQXRMFBFWOGLOF-GFCCVEGCSA-N -1 0 307.285 -0.182 20 0 DBADRM NC(=O)C1(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CCC1 ZINC001601140052 1017809433 /nfs/dbraw/zinc/80/94/33/1017809433.db2.gz TVAYYJDUHCGCCZ-QMMMGPOBSA-N -1 0 300.311 -0.636 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)NCCCCCC(=O)[O-])C1 ZINC001601142435 1017809588 /nfs/dbraw/zinc/80/95/88/1017809588.db2.gz XYKDXJNKYSGEEQ-QMMMGPOBSA-N -1 0 300.315 -0.439 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001601142463 1017809659 /nfs/dbraw/zinc/80/96/59/1017809659.db2.gz YUMLSRFPIFVONC-LPEHRKFASA-N -1 0 324.337 -0.631 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)CCCCCC(=O)[O-])O1 ZINC001601142030 1017809811 /nfs/dbraw/zinc/80/98/11/1017809811.db2.gz FTDAVBKUSAVNOA-ZJUUUORDSA-N -1 0 322.383 -0.416 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)CCCCCC(=O)[O-])O1 ZINC001601142027 1017809875 /nfs/dbraw/zinc/80/98/75/1017809875.db2.gz FTDAVBKUSAVNOA-NXEZZACHSA-N -1 0 322.383 -0.416 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001601142462 1017810180 /nfs/dbraw/zinc/81/01/80/1017810180.db2.gz YUMLSRFPIFVONC-KXUCPTDWSA-N -1 0 324.337 -0.631 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)CCCC(=O)[O-] ZINC001601142084 1017810208 /nfs/dbraw/zinc/81/02/08/1017810208.db2.gz UMYJTTSQLOMWBE-NGZCFLSTSA-N -1 0 304.368 -0.233 20 0 DBADRM NC(=O)[C@@]1(O)CCN(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC001601140678 1017810243 /nfs/dbraw/zinc/81/02/43/1017810243.db2.gz JNDSEQDNJCZOTE-CQSZACIVSA-N -1 0 308.290 -0.788 20 0 DBADRM NC(=O)[C@H]1CC(C(=O)NC2(C(=O)[O-])CC2)=NN1c1ccccc1 ZINC001601141267 1017810328 /nfs/dbraw/zinc/81/03/28/1017810328.db2.gz JYXIEMADZOPHGK-LLVKDONJSA-N -1 0 316.317 -0.160 20 0 DBADRM NC(=O)C1CCN(C(=O)COC(=O)c2occc2C(=O)[O-])CC1 ZINC001601143499 1017811090 /nfs/dbraw/zinc/81/10/90/1017811090.db2.gz IJGQGANEERWQEV-UHFFFAOYSA-N -1 0 324.289 -0.142 20 0 DBADRM NC(=O)C[C@@H](NC(=O)Cn1cc(C(=O)[O-])cn1)C1CCOCC1 ZINC001601145167 1017811349 /nfs/dbraw/zinc/81/13/49/1017811349.db2.gz DJYVOEQINPNUBY-LLVKDONJSA-N -1 0 324.337 -0.632 20 0 DBADRM NC(=O)CC(=O)N1CC2(C1)CCCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C2 ZINC001601145495 1017811383 /nfs/dbraw/zinc/81/13/83/1017811383.db2.gz HUHRVHICRNQFJC-VHSXEESVSA-N -1 0 323.349 -0.967 20 0 DBADRM NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001601144466 1017811512 /nfs/dbraw/zinc/81/15/12/1017811512.db2.gz HNMFJRHWPCKFEI-BDAKNGLRSA-N -1 0 304.368 -0.185 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccn2)CCO1 ZINC001601147613 1017812021 /nfs/dbraw/zinc/81/20/21/1017812021.db2.gz DLASBPVCWIMGHL-VIFPVBQESA-N -1 0 308.294 -0.112 20 0 DBADRM NC(=O)CC1CC(NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001601147934 1017812232 /nfs/dbraw/zinc/81/22/32/1017812232.db2.gz SITNNAMGGASYIR-HSLLBKHCSA-N -1 0 313.354 -0.493 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccn2)CCO1 ZINC001601147612 1017812285 /nfs/dbraw/zinc/81/22/85/1017812285.db2.gz DLASBPVCWIMGHL-SECBINFHSA-N -1 0 308.294 -0.112 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)CCc2ocnc2C(=O)[O-])CCO1 ZINC001601147890 1017812303 /nfs/dbraw/zinc/81/23/03/1017812303.db2.gz HPINWYBDBKEZCJ-MRVPVSSYSA-N -1 0 311.294 -0.592 20 0 DBADRM NC(=O)C[C@@H]1CCCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001601147803 1017812308 /nfs/dbraw/zinc/81/23/08/1017812308.db2.gz JRAUWAIMYFLBTQ-VIFPVBQESA-N -1 0 324.341 -0.727 20 0 DBADRM NC(=O)CC(=O)NC1(CNc2ncc(C(=O)[O-])cn2)CCCC1 ZINC001601146384 1017812334 /nfs/dbraw/zinc/81/23/34/1017812334.db2.gz RSJRFTKMBLMCEF-UHFFFAOYSA-N -1 0 321.337 -0.109 20 0 DBADRM NC(=O)CC(=O)N[C@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001601146367 1017812470 /nfs/dbraw/zinc/81/24/70/1017812470.db2.gz RBRDTXXAHWKHBF-QMMMGPOBSA-N -1 0 307.310 -0.865 20 0 DBADRM NC(=O)CCn1ccc(N[C@H]2CCN(CCC(=O)[O-])C2=O)n1 ZINC001601150962 1017812979 /nfs/dbraw/zinc/81/29/79/1017812979.db2.gz UGJICORPMRNNJB-VIFPVBQESA-N -1 0 309.326 -0.754 20 0 DBADRM NC(=O)COc1ccc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1 ZINC001601152220 1017813126 /nfs/dbraw/zinc/81/31/26/1017813126.db2.gz QBHNKGCWWBGNDW-PJXYFTJBSA-N -1 0 304.302 -0.047 20 0 DBADRM NC(=O)CN1CCC(NC(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC001601150896 1017813476 /nfs/dbraw/zinc/81/34/76/1017813476.db2.gz JXZMCERDJDEWBM-UHFFFAOYSA-N -1 0 319.361 -0.007 20 0 DBADRM NC(=O)CN(C(=O)c1ccnc(C(=O)[O-])c1)C1CCOCC1 ZINC001601151168 1017813485 /nfs/dbraw/zinc/81/34/85/1017813485.db2.gz RNFZKPHSNNFANL-UHFFFAOYSA-N -1 0 307.306 -0.114 20 0 DBADRM NC(=O)CN1CCC(NC(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC001601150685 1017813636 /nfs/dbraw/zinc/81/36/36/1017813636.db2.gz FHANQTLYCHPAKL-UHFFFAOYSA-N -1 0 306.322 -0.541 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2cccc(CC(=O)[O-])c2)CC1=O ZINC001601151274 1017813939 /nfs/dbraw/zinc/81/39/39/1017813939.db2.gz YDVLUCLEOLNTQA-UHFFFAOYSA-N -1 0 319.317 -0.917 20 0 DBADRM NC(=O)CN1CCN(C(=O)Cc2ccccc2C(=O)[O-])CC1=O ZINC001601150925 1017814031 /nfs/dbraw/zinc/81/40/31/1017814031.db2.gz MFJSXRIJGKIUAJ-UHFFFAOYSA-N -1 0 319.317 -0.917 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001601154341 1017814341 /nfs/dbraw/zinc/81/43/41/1017814341.db2.gz CHCJOXHZCFVXED-RYUDHWBXSA-N -1 0 320.349 -0.016 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001601154342 1017814542 /nfs/dbraw/zinc/81/45/42/1017814542.db2.gz CHCJOXHZCFVXED-VXGBXAGGSA-N -1 0 320.349 -0.016 20 0 DBADRM NC(=O)N1CC[C@@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001601154740 1017814558 /nfs/dbraw/zinc/81/45/58/1017814558.db2.gz UREDFQCUCHAVGS-ZETCQYMHSA-N -1 0 316.339 -0.608 20 0 DBADRM NC(=O)Cn1cc(C(=O)NCC2(CC(=O)[O-])CCCC2)nn1 ZINC001601153797 1017814633 /nfs/dbraw/zinc/81/46/33/1017814633.db2.gz WYFBDFROACMJDD-UHFFFAOYSA-N -1 0 309.326 -0.472 20 0 DBADRM NC(=O)Cn1ccc(NC(=O)Cc2ccc(C(=O)[O-])nc2)n1 ZINC001601154442 1017815009 /nfs/dbraw/zinc/81/50/09/1017815009.db2.gz HTFTZRMMWUYHPF-UHFFFAOYSA-N -1 0 303.278 -0.357 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)COCC(=O)[O-])C[C@H]1c1ccccc1 ZINC001601156786 1017815709 /nfs/dbraw/zinc/81/57/09/1017815709.db2.gz BXZFTIIMHFVKBV-NWDGAFQWSA-N -1 0 306.318 -0.185 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001601158486 1017815866 /nfs/dbraw/zinc/81/58/66/1017815866.db2.gz QDKZHKJDEBBFLN-SNVBAGLBSA-N -1 0 323.305 -0.865 20 0 DBADRM NC(=O)N[C@H]1CCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001601156965 1017815921 /nfs/dbraw/zinc/81/59/21/1017815921.db2.gz BEQLZLRNCQKTEV-YFKPBYRVSA-N -1 0 320.352 -0.727 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCSC[C@H]2C(=O)[O-])O1 ZINC001601156902 1017816221 /nfs/dbraw/zinc/81/62/21/1017816221.db2.gz IMHXNXXCZJFIPJ-UTLUCORTSA-N -1 0 316.379 -0.172 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001601160774 1017816495 /nfs/dbraw/zinc/81/64/95/1017816495.db2.gz XGOVGRYXOUSMLU-JXUBOQSCSA-N -1 0 304.368 -0.187 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)Nc2nc3n(c2C(=O)[O-])CCC3)C1 ZINC001601160589 1017816577 /nfs/dbraw/zinc/81/65/77/1017816577.db2.gz SIBVBABANWPKJT-LJGSYFOKSA-N -1 0 307.310 -0.087 20 0 DBADRM NC(=O)c1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)cn1 ZINC001601162721 1017816618 /nfs/dbraw/zinc/81/66/18/1017816618.db2.gz KGDKXIKPEJEWDS-UHFFFAOYSA-N -1 0 307.306 -0.066 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CCC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])O1 ZINC001601159751 1017816705 /nfs/dbraw/zinc/81/67/05/1017816705.db2.gz JANGHQSLRNKOCR-AATLWQCWSA-N -1 0 302.302 -0.177 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CC1 ZINC001601159433 1017816857 /nfs/dbraw/zinc/81/68/57/1017816857.db2.gz SAGSZCXBRJAKOE-BDAKNGLRSA-N -1 0 319.321 -0.643 20 0 DBADRM NC(=O)c1ccc(C(=O)NCCOCC(=O)[O-])nc1Cl ZINC001601162921 1017816994 /nfs/dbraw/zinc/81/69/94/1017816994.db2.gz UOBJDGZXIRHZBI-UHFFFAOYSA-N -1 0 301.686 -0.335 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001601160776 1017817157 /nfs/dbraw/zinc/81/71/57/1017817157.db2.gz XGOVGRYXOUSMLU-RGOKHQFPSA-N -1 0 304.368 -0.187 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001601160572 1017817180 /nfs/dbraw/zinc/81/71/80/1017817180.db2.gz RFJYKGOHVJEIPU-OTPXZMOZSA-N -1 0 310.310 -0.735 20 0 DBADRM NC(=O)c1cc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)co1 ZINC001601160846 1017817251 /nfs/dbraw/zinc/81/72/51/1017817251.db2.gz MWNLRWMXKHBMFG-MRVPVSSYSA-N -1 0 310.262 -0.389 20 0 DBADRM NC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1 ZINC001601167870 1017817656 /nfs/dbraw/zinc/81/76/56/1017817656.db2.gz LDVOWOIPKOMUPK-XYPYZODXSA-N -1 0 319.317 -0.619 20 0 DBADRM NC(=O)c1ccc(/C=C\C(=O)NC2(C(=O)[O-])CC(CO)C2)o1 ZINC001601164058 1017817724 /nfs/dbraw/zinc/81/77/24/1017817724.db2.gz JCFGZVMDCUQNCW-RQOWECAXSA-N -1 0 308.290 -0.266 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1 ZINC001601164739 1017817889 /nfs/dbraw/zinc/81/78/89/1017817889.db2.gz SSCSBUBQEXWYTG-NEPJUHHUSA-N -1 0 306.318 -0.378 20 0 DBADRM NC(=O)c1cc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c[nH]1 ZINC001601164318 1017818222 /nfs/dbraw/zinc/81/82/22/1017818222.db2.gz XRYPFDLSRGZQDH-ZDUSSCGKSA-N -1 0 306.278 -0.441 20 0 DBADRM NC(=O)c1ccc(CC(=O)N[C@@H](CC(F)F)C(=O)[O-])cn1 ZINC001601164748 1017818299 /nfs/dbraw/zinc/81/82/99/1017818299.db2.gz SSNUMNZAGHZAEJ-QMMMGPOBSA-N -1 0 301.249 -0.052 20 0 DBADRM NC(=O)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1 ZINC001601166006 1017818470 /nfs/dbraw/zinc/81/84/70/1017818470.db2.gz WCMWATAYCUPNMS-XYPYZODXSA-N -1 0 319.317 -0.619 20 0 DBADRM NC(=O)c1ncccc1C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001601172181 1017818843 /nfs/dbraw/zinc/81/88/43/1017818843.db2.gz NEMSZENKUWMEAU-CQSZACIVSA-N -1 0 318.289 -0.374 20 0 DBADRM NC(=O)c1cn(CC(=O)N[C@@H](CO)C(=O)[O-])c2ccccc12 ZINC001601171233 1017818918 /nfs/dbraw/zinc/81/89/18/1017818918.db2.gz MXQSJXWMATUXCK-JTQLQIEISA-N -1 0 305.290 -0.698 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)NCCSCC(=O)[O-] ZINC001601170276 1017818997 /nfs/dbraw/zinc/81/89/97/1017818997.db2.gz DBRYQZFWISPKRF-UHFFFAOYSA-N -1 0 323.334 -0.624 20 0 DBADRM NC(=O)c1ncc(NC(=O)N[C@@]2(CC(=O)[O-])CCOC2)s1 ZINC001601172298 1017819043 /nfs/dbraw/zinc/81/90/43/1017819043.db2.gz PFDFCSRBJDVTCQ-LLVKDONJSA-N -1 0 314.323 -0.003 20 0 DBADRM NC(=O)c1cn(CCCCNc2nccnc2C(=O)[O-])nn1 ZINC001601169993 1017819062 /nfs/dbraw/zinc/81/90/62/1017819062.db2.gz NDYQWSSACSUESD-UHFFFAOYSA-N -1 0 305.298 -0.243 20 0 DBADRM NC(=O)c1cccc(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)n1 ZINC001601169391 1017819243 /nfs/dbraw/zinc/81/92/43/1017819243.db2.gz WGHFLCIVORAUNL-RKDXNWHRSA-N -1 0 307.306 -0.352 20 0 DBADRM NC(=O)c1cccc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)n1 ZINC001601169196 1017819459 /nfs/dbraw/zinc/81/94/59/1017819459.db2.gz PIMXJTZVHCYFNR-JTQLQIEISA-N -1 0 321.289 -0.587 20 0 DBADRM NC(=O)c1ncc(NC(=O)N[C@]2(CC(=O)[O-])CCOC2)s1 ZINC001601172299 1017819513 /nfs/dbraw/zinc/81/95/13/1017819513.db2.gz PFDFCSRBJDVTCQ-NSHDSACASA-N -1 0 314.323 -0.003 20 0 DBADRM NC(=O)c1csc(CNC(=O)c2cnc(C(=O)[O-])cn2)n1 ZINC001601170851 1017819554 /nfs/dbraw/zinc/81/95/54/1017819554.db2.gz MJZMRGQGHKXDAW-UHFFFAOYSA-N -1 0 307.291 -0.340 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@@]2(C(=O)[O-])CCSC2)S1 ZINC001601178122 1017819865 /nfs/dbraw/zinc/81/98/65/1017819865.db2.gz IZLWSZSBWAZEBE-RRAGMBSWSA-N -1 0 303.365 -0.381 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)S1 ZINC001601178439 1017820025 /nfs/dbraw/zinc/82/00/25/1017820025.db2.gz NULAENOVWMFCKJ-IONNQARKSA-N -1 0 315.351 -0.773 20 0 DBADRM N=C1NC(=O)C(CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])S1 ZINC001601178472 1017820220 /nfs/dbraw/zinc/82/02/20/1017820220.db2.gz OXSYARPKZPPZFP-GKROBHDKSA-N -1 0 301.324 -0.851 20 0 DBADRM NC(=O)c1ncn(CC(=O)NC[C@H](CC2CCCC2)C(=O)[O-])n1 ZINC001601174619 1017820323 /nfs/dbraw/zinc/82/03/23/1017820323.db2.gz ZLVLHTJAHBCZMI-JTQLQIEISA-N -1 0 323.353 -0.226 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@]2(CC(=O)[O-])CCOC2)S1 ZINC001601178738 1017820675 /nfs/dbraw/zinc/82/06/75/1017820675.db2.gz XGQCWJTXDUKZFZ-KGFZYKRKSA-N -1 0 301.324 -0.707 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001601192714 1017823079 /nfs/dbraw/zinc/82/30/79/1017823079.db2.gz UURIXVWROSEIGK-HUUUCTMMSA-N -1 0 302.352 -0.479 20 0 DBADRM NS(=O)(=O)CCCC(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC001601193073 1017823246 /nfs/dbraw/zinc/82/32/46/1017823246.db2.gz KFSPRWOJRQSLTR-QMMMGPOBSA-N -1 0 310.397 -0.526 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)c2ccsc2CC(=O)[O-])C1 ZINC001601194074 1017823555 /nfs/dbraw/zinc/82/35/55/1017823555.db2.gz LVRSMNPGIMQVJE-UHFFFAOYSA-N -1 0 304.349 -0.512 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)CC2(CC(=O)[O-])CCCC2)C1 ZINC001601194646 1017824077 /nfs/dbraw/zinc/82/40/77/1017824077.db2.gz VGADEHVOHNGRFZ-UHFFFAOYSA-N -1 0 304.368 -0.089 20 0 DBADRM NS(=O)(=O)C[C@H]1CC[C@@H](NC(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001601193943 1017823826 /nfs/dbraw/zinc/82/38/26/1017823826.db2.gz NNCVZRQEKHZWSJ-NWYXOPSVSA-N -1 0 316.379 -0.185 20 0 DBADRM NS(=O)(=O)CCCCCCC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001601193027 1017824038 /nfs/dbraw/zinc/82/40/38/1017824038.db2.gz JJSWCKDWXTVFCI-NXEZZACHSA-N -1 0 322.383 -0.728 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H](CCF)C(=O)[O-])cn1 ZINC001601196587 1017824351 /nfs/dbraw/zinc/82/43/51/1017824351.db2.gz BDAQIDBDWKKDCO-ZETCQYMHSA-N -1 0 305.287 -0.728 20 0 DBADRM NS(=O)(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601195108 1017824365 /nfs/dbraw/zinc/82/43/65/1017824365.db2.gz HMYAPSOAMOSPKI-KXUCPTDWSA-N -1 0 319.383 -0.729 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)[O-])C2CC2)cn1 ZINC001601196906 1017824433 /nfs/dbraw/zinc/82/44/33/1017824433.db2.gz CHIPPIUHGIBAIP-SECBINFHSA-N -1 0 300.292 -0.251 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCSC[C@@H]2C(=O)[O-])o1 ZINC001601196579 1017824596 /nfs/dbraw/zinc/82/45/96/1017824596.db2.gz ASNIKYYBRYLYOR-ZCFIWIBFSA-N -1 0 320.348 -0.431 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC3CC2(C(=O)[O-])C3)co1 ZINC001601196293 1017824777 /nfs/dbraw/zinc/82/47/77/1017824777.db2.gz XAJPFVZHRHEBRM-UHFFFAOYSA-N -1 0 300.292 -0.384 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC[C@H](O)CC(=O)[O-])c(F)c1 ZINC001601197121 1017825155 /nfs/dbraw/zinc/82/51/55/1017825155.db2.gz RFBJOQCKEFMNSY-ZCFIWIBFSA-N -1 0 320.298 -0.962 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])ccn1 ZINC001601196255 1017825212 /nfs/dbraw/zinc/82/52/12/1017825212.db2.gz VFPMQWHQORHYMI-VIFPVBQESA-N -1 0 313.335 -0.288 20 0 DBADRM NS(=O)(=O)c1sccc1C(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001601200794 1017825601 /nfs/dbraw/zinc/82/56/01/1017825601.db2.gz IYCJDDFBZHKYLO-VDTYLAMSSA-N -1 0 304.349 -0.012 20 0 DBADRM NS(=O)(=O)c1ccc(CN2CCOC[C@H]2C(=O)[O-])cc1 ZINC001601198503 1017825844 /nfs/dbraw/zinc/82/58/44/1017825844.db2.gz UNBJKAKOIDTNQK-NSHDSACASA-N -1 0 300.336 -0.381 20 0 DBADRM NS(=O)(=O)c1ccc(N2C[C@H]3C[C@@]3(CO)C2)c(C(=O)[O-])c1 ZINC001601199406 1017826226 /nfs/dbraw/zinc/82/62/26/1017826226.db2.gz ZWRAIRXPXIQEJH-OQPBUACISA-N -1 0 312.347 -0.149 20 0 DBADRM NS(=O)(=O)c1cccc(CNc2ccnc(C(=O)[O-])n2)c1 ZINC001601200492 1017826356 /nfs/dbraw/zinc/82/63/56/1017826356.db2.gz RCUPGEXHRTZVCI-UHFFFAOYSA-N -1 0 308.319 -0.144 20 0 DBADRM Nc1cccc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001601217099 1017827417 /nfs/dbraw/zinc/82/74/17/1017827417.db2.gz DAMPMDSBPHWSBJ-WPRPVWTQSA-N -1 0 300.336 -0.275 20 0 DBADRM Nc1ccccc1S(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001601217465 1017827607 /nfs/dbraw/zinc/82/76/07/1017827607.db2.gz KUNUOLOTZWDYDT-VIFPVBQESA-N -1 0 316.335 -0.237 20 0 DBADRM Nc1nccnc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001601221851 1017828185 /nfs/dbraw/zinc/82/81/85/1017828185.db2.gz CWVVWGROFZNCBT-KZVJFYERSA-N -1 0 319.321 -0.844 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC001601224056 1017828234 /nfs/dbraw/zinc/82/82/34/1017828234.db2.gz LVHBIDLCCNWXEH-SECBINFHSA-N -1 0 302.294 -0.378 20 0 DBADRM Nc1ncc(S(=O)(=O)NC[C@H](CC(=O)[O-])C2CC2)cn1 ZINC001601220978 1017828448 /nfs/dbraw/zinc/82/84/48/1017828448.db2.gz DDDOOLAMVQEQIU-QMMMGPOBSA-N -1 0 300.340 -0.162 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)C1 ZINC001601227486 1017829088 /nfs/dbraw/zinc/82/90/88/1017829088.db2.gz SAIVUINQTONVAB-TVQRCGJNSA-N -1 0 317.363 -0.751 20 0 DBADRM O=C(C=CCN1CCOCC1)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001601230332 1017829232 /nfs/dbraw/zinc/82/92/32/1017829232.db2.gz AMCPVUINKNGKPA-ISUDXETCSA-N -1 0 308.338 -0.590 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)C1 ZINC001601227485 1017829370 /nfs/dbraw/zinc/82/93/70/1017829370.db2.gz SAIVUINQTONVAB-RNCFNFMXSA-N -1 0 317.363 -0.751 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N2CCC(CCF)CC2)C1 ZINC001601225715 1017829399 /nfs/dbraw/zinc/82/93/99/1017829399.db2.gz MNJUQBUDRSFKGD-UHFFFAOYSA-N -1 0 302.302 -0.758 20 0 DBADRM O=C([O-])c1ccc(/C=C/C(=O)NC[C@H](O)Cn2ccnn2)o1 ZINC001601237209 1017830209 /nfs/dbraw/zinc/83/02/09/1017830209.db2.gz OGWWVMKNRMBGQZ-LXOKAJLYSA-N -1 0 306.278 -0.240 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)/C=C\c1ccc2c(c1)NC(=O)CO2 ZINC001601240103 1017830240 /nfs/dbraw/zinc/83/02/40/1017830240.db2.gz JTXZHFIJZDAIHQ-GQPNGRKGSA-N -1 0 306.274 -0.408 20 0 DBADRM O=C(C[C@H]1CCCS1(=O)=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601257317 1017830455 /nfs/dbraw/zinc/83/04/55/1017830455.db2.gz ZTIGKVAZDVPLLJ-FXPVBKGRSA-N -1 0 305.352 -0.440 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CC(=O)NCC(F)(F)F ZINC001601244065 1017830673 /nfs/dbraw/zinc/83/06/73/1017830673.db2.gz NTBPJLVTJOGOMJ-ZETCQYMHSA-N -1 0 322.243 -0.410 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)/C=C/c1ccc2c(c1)NC(=O)CO2 ZINC001601241282 1017830837 /nfs/dbraw/zinc/83/08/37/1017830837.db2.gz VTOPCNWOQGANJS-YWNRKNDBSA-N -1 0 306.274 -0.408 20 0 DBADRM O=C([O-])c1cnc(NCCNC(=O)CCN2CCCC2=O)nc1 ZINC001601274703 1017831233 /nfs/dbraw/zinc/83/12/33/1017831233.db2.gz BKPCJDXIUMZWNF-UHFFFAOYSA-N -1 0 321.337 -0.285 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)CCCCN2CCOCC2)C1 ZINC001601264130 1017831415 /nfs/dbraw/zinc/83/14/15/1017831415.db2.gz KCBXGHVNTJGEDH-AWEZNQCLSA-N -1 0 300.355 -0.463 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)CCCn2ccnc2)n1 ZINC001601274536 1017831536 /nfs/dbraw/zinc/83/15/36/1017831536.db2.gz YCXMUWISMQWLRW-UHFFFAOYSA-N -1 0 318.337 -0.198 20 0 DBADRM O=C([O-])c1cn(CCOC(=O)CCCN2C(=O)CCC2=O)nn1 ZINC001601267867 1017831703 /nfs/dbraw/zinc/83/17/03/1017831703.db2.gz GBONLLBKTFACED-UHFFFAOYSA-N -1 0 324.293 -0.551 20 0 DBADRM O=C([O-])c1coc(CNC(=O)CCC(=O)N2CCOCC2)n1 ZINC001601261135 1017832055 /nfs/dbraw/zinc/83/20/55/1017832055.db2.gz MVFXSHBGSVYQEV-UHFFFAOYSA-N -1 0 311.294 -0.372 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCNC(=O)c1cc2ccccc2[nH]1 ZINC001601277390 1017832402 /nfs/dbraw/zinc/83/24/02/1017832402.db2.gz CUZVMMRJJVDZHZ-LBPRGKRZSA-N -1 0 319.317 -0.151 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)CCS(=O)(=O)C1CCCC1 ZINC001601283180 1017832442 /nfs/dbraw/zinc/83/24/42/1017832442.db2.gz PUPRHUQBFDVRCJ-JTQLQIEISA-N -1 0 307.368 -0.314 20 0 DBADRM O=C(CCNC(=O)c1ccsc1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001601278823 1017832607 /nfs/dbraw/zinc/83/26/07/1017832607.db2.gz DJJXCGAVXHOIJM-SWZMTVOYSA-N -1 0 312.347 -0.038 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)NCC[C@]2(O)CCOC2)C1 ZINC001601284498 1017832630 /nfs/dbraw/zinc/83/26/30/1017832630.db2.gz XUHXTKMRYHXRLJ-WDMOLILDSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C(CCOC1CCOCC1)NC1(C(=O)[O-])CC(CO)C1 ZINC001601280445 1017832891 /nfs/dbraw/zinc/83/28/91/1017832891.db2.gz NBEAZMBIWZXQQG-UHFFFAOYSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)CCOC[C@H]2CCCO2)nn1 ZINC001601281192 1017833097 /nfs/dbraw/zinc/83/30/97/1017833097.db2.gz DZBCAGKJZCQUFK-SNVBAGLBSA-N -1 0 312.326 -0.322 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCNC(=O)OCC(F)(F)F ZINC001601277311 1017833208 /nfs/dbraw/zinc/83/32/08/1017833208.db2.gz DNPCGAVQHHHJLA-YFKPBYRVSA-N -1 0 302.205 -0.773 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)CCOCC(F)(F)F ZINC001601280878 1017833236 /nfs/dbraw/zinc/83/32/36/1017833236.db2.gz MWFPNYQVGZEDFZ-SSDOTTSWSA-N -1 0 310.232 -0.184 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)c1cccnc1 ZINC001601300417 1017833423 /nfs/dbraw/zinc/83/34/23/1017833423.db2.gz QXJKJSLHMYOQBV-NSHDSACASA-N -1 0 318.289 -0.736 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCn1cnc2ccccc2c1=O ZINC001601299263 1017833913 /nfs/dbraw/zinc/83/39/13/1017833913.db2.gz DZHHGSNFIWMMTB-NSHDSACASA-N -1 0 305.290 -0.652 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)CCn2ccnn2)n1 ZINC001601299280 1017833928 /nfs/dbraw/zinc/83/39/28/1017833928.db2.gz FTDUZZZZXGFBBU-UHFFFAOYSA-N -1 0 319.325 -0.803 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCCNC(=O)CCc1cn[nH]c1 ZINC001601293872 1017834027 /nfs/dbraw/zinc/83/40/27/1017834027.db2.gz MFBFBHLUKUGDOY-WDEREUQCSA-N -1 0 308.338 -0.315 20 0 DBADRM O=C([O-])C1CCN(C(=O)COC(=O)CCn2ccnn2)CC1 ZINC001601299291 1017834064 /nfs/dbraw/zinc/83/40/64/1017834064.db2.gz GPMTWQWFIPPTJI-UHFFFAOYSA-N -1 0 310.310 -0.465 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)CCn1ccccc1=O ZINC001601300145 1017834205 /nfs/dbraw/zinc/83/42/05/1017834205.db2.gz YIRCYHOHBBARNI-JTQLQIEISA-N -1 0 310.306 -0.429 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCc1nc(-c2nc[nH]n2)no1)C1CC1 ZINC001601294379 1017834241 /nfs/dbraw/zinc/83/42/41/1017834241.db2.gz JAHRKZYTKIQYMH-VIFPVBQESA-N -1 0 306.282 -0.233 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)CN2CCC(CO)CC2)C1(F)F ZINC001601306006 1017835032 /nfs/dbraw/zinc/83/50/32/1017835032.db2.gz VEOBAWJTNZFORJ-ONGXEEELSA-N -1 0 306.309 -0.227 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2C[C@H](CO)[C@@H](CCO)C2)n1 ZINC001601305778 1017835166 /nfs/dbraw/zinc/83/51/66/1017835166.db2.gz NEAACEJFYQIOJF-WDEREUQCSA-N -1 0 323.349 -0.359 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CC[C@@H](O)[C@@H](CO)C2)c1 ZINC001601303734 1017835182 /nfs/dbraw/zinc/83/51/82/1017835182.db2.gz DQFKARLTNBVNKV-DGCLKSJQSA-N -1 0 308.334 -0.002 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CN2CCC(=O)NC2=O)cn1 ZINC001601305716 1017835248 /nfs/dbraw/zinc/83/52/48/1017835248.db2.gz FIBZSBHOQLSERV-UHFFFAOYSA-N -1 0 306.278 -0.662 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C1CC1 ZINC001601301973 1017835337 /nfs/dbraw/zinc/83/53/37/1017835337.db2.gz SZXHCVHVPCMXTA-JFGNBEQYSA-N -1 0 306.318 -0.083 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)OC[C@@H]1COCCO1 ZINC001601310264 1017836590 /nfs/dbraw/zinc/83/65/90/1017836590.db2.gz MTCKMJHOSYZXAY-UWVGGRQHSA-N -1 0 301.295 -0.732 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NC[C@@H]2CCCC[C@H]2O)C1=O ZINC001601310493 1017836865 /nfs/dbraw/zinc/83/68/65/1017836865.db2.gz MAXLEWSUDWHPGT-SDDRHHMPSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NCCCCCCO)C1=O ZINC001601310697 1017836886 /nfs/dbraw/zinc/83/68/86/1017836886.db2.gz OOZLALSDYNSVDM-NSHDSACASA-N -1 0 300.355 -0.022 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NCCO[C@@H]2CC2(F)F)C1=O ZINC001601310577 1017836960 /nfs/dbraw/zinc/83/69/60/1017836960.db2.gz NYCAJZBUIZNTHL-RKDXNWHRSA-N -1 0 320.292 -0.150 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)Nc1n[nH]c2c1COCC2 ZINC001601311385 1017837201 /nfs/dbraw/zinc/83/72/01/1017837201.db2.gz CUHUHPKWESMXIE-MRVPVSSYSA-N -1 0 322.321 -0.256 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)O[C@@H]1CC(=O)N(C2CC2)C1 ZINC001601310803 1017837607 /nfs/dbraw/zinc/83/76/07/1017837607.db2.gz RAYKEEAHHUBLBV-MNOVXSKESA-N -1 0 324.333 -0.384 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC001601318572 1017837980 /nfs/dbraw/zinc/83/79/80/1017837980.db2.gz XLLWZKWYNOPPFU-FRRDWIJNSA-N -1 0 320.345 -0.374 20 0 DBADRM O=C(CN1CC[C@@H](O)[C@@H](O)C1)NC1(C(=O)[O-])CCCCC1 ZINC001601318491 1017837989 /nfs/dbraw/zinc/83/79/89/1017837989.db2.gz ODNQDDNILXDPRS-MNOVXSKESA-N -1 0 300.355 -0.682 20 0 DBADRM O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)CN1CCOCC1=O ZINC001601316837 1017837998 /nfs/dbraw/zinc/83/79/98/1017837998.db2.gz KZMXERPHUHKAQY-GFCCVEGCSA-N -1 0 324.308 -0.204 20 0 DBADRM O=C([O-])c1cn(CCOC(=O)CN2CCN(C3CC3)C2=O)nn1 ZINC001601315937 1017838016 /nfs/dbraw/zinc/83/80/16/1017838016.db2.gz JTMRENZCNAQMMZ-UHFFFAOYSA-N -1 0 323.309 -0.581 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCOCC1=O)c1cccc(O)c1 ZINC001601317071 1017838089 /nfs/dbraw/zinc/83/80/89/1017838089.db2.gz SVOXPUBANMSNNK-CYBMUJFWSA-N -1 0 308.290 -0.507 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CN1CCNCC1=O)c1ccccc1 ZINC001601316925 1017838432 /nfs/dbraw/zinc/83/84/32/1017838432.db2.gz XLYFSYDKFTUOBI-LBPRGKRZSA-N -1 0 305.334 -0.597 20 0 DBADRM O=C([O-])C1(NC(=O)CN2CCOC[C@H](O)C2)CCCCC1 ZINC001601316650 1017838615 /nfs/dbraw/zinc/83/86/15/1017838615.db2.gz HMAASOZYZJYPMI-LLVKDONJSA-N -1 0 300.355 -0.417 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC001601318573 1017838656 /nfs/dbraw/zinc/83/86/56/1017838656.db2.gz XLLWZKWYNOPPFU-JHJVBQTASA-N -1 0 320.345 -0.374 20 0 DBADRM O=C([O-])c1ccc(NC(=O)CN2C[C@H](CO)[C@H](CO)C2)cc1 ZINC001601317887 1017838947 /nfs/dbraw/zinc/83/89/47/1017838947.db2.gz NIWUTJASZYXSJA-TXEJJXNPSA-N -1 0 308.334 -0.144 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)CNC(=O)C2CCCCC2)nn1 ZINC001601320699 1017839479 /nfs/dbraw/zinc/83/94/79/1017839479.db2.gz ZYIXCTKXJPOUPW-UHFFFAOYSA-N -1 0 323.353 -0.211 20 0 DBADRM O=C([O-])c1c(F)cccc1NC(=O)C(=O)NCC(=O)NC1CC1 ZINC001601320623 1017839605 /nfs/dbraw/zinc/83/96/05/1017839605.db2.gz WHUXVVNLZCQBGK-UHFFFAOYSA-N -1 0 323.280 -0.143 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NCC(=O)NCC(F)F)cn1 ZINC001601321647 1017839632 /nfs/dbraw/zinc/83/96/32/1017839632.db2.gz LNDJKQBOORTUMO-UHFFFAOYSA-N -1 0 301.249 -0.180 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CCNC(=O)CO)C[C@@H]1c1ccccc1 ZINC001601330314 1017840243 /nfs/dbraw/zinc/84/02/43/1017840243.db2.gz RPSSGALGWUZRTD-CHWSQXEVSA-N -1 0 320.345 -0.188 20 0 DBADRM O=C(COC1CCOCC1)NCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001601336328 1017840334 /nfs/dbraw/zinc/84/03/34/1017840334.db2.gz AMWMMFUKVQNSJE-MNOVXSKESA-N -1 0 314.338 -0.865 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCC(=O)NCC(F)F)cn1 ZINC001601328497 1017840438 /nfs/dbraw/zinc/84/04/38/1017840438.db2.gz WBZSATGWWPMZAH-UHFFFAOYSA-N -1 0 323.277 -0.561 20 0 DBADRM O=C(CNS(=O)(=O)c1cccnc1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001601327255 1017840484 /nfs/dbraw/zinc/84/04/84/1017840484.db2.gz KAMKLABYEAOQLA-KYZUINATSA-N -1 0 313.335 -0.661 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)COCc1cc[nH]c(=O)c1 ZINC001601338080 1017840705 /nfs/dbraw/zinc/84/07/05/1017840705.db2.gz CYAZXNFRMOYPMD-NSHDSACASA-N -1 0 320.305 -0.161 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCNC(=O)CO)c1ccc2c(c1)CCO2 ZINC001601329983 1017841003 /nfs/dbraw/zinc/84/10/03/1017841003.db2.gz FIKOGDMIHHJXNF-CQSZACIVSA-N -1 0 322.317 -0.638 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NC[C@H](O)c1c[nH]cn1 ZINC001601339796 1017841163 /nfs/dbraw/zinc/84/11/63/1017841163.db2.gz CRWPDHOFMAMVNV-QMMMGPOBSA-N -1 0 310.266 -0.538 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)CSCC(=O)N1CCOCC1 ZINC001601348527 1017841425 /nfs/dbraw/zinc/84/14/25/1017841425.db2.gz LLZQZMWWJAEPGW-MRVPVSSYSA-N -1 0 308.331 -0.883 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001601346314 1017841846 /nfs/dbraw/zinc/84/18/46/1017841846.db2.gz WCEBGVWHAUNMDZ-PSASIEDQSA-N -1 0 305.352 -0.583 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)Cc1cc(F)ccc1O ZINC001601354527 1017842133 /nfs/dbraw/zinc/84/21/33/1017842133.db2.gz DAYXVKWEWAEMKH-JTQLQIEISA-N -1 0 308.269 -0.065 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)Cc1cncnc1 ZINC001601372214 1017842402 /nfs/dbraw/zinc/84/24/02/1017842402.db2.gz RYKPIGMSBAVBEM-HHDBNCKJSA-N -1 0 318.333 -0.472 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CCNC(=O)Cc1cc[nH]n1)C1CC1 ZINC001601371084 1017842552 /nfs/dbraw/zinc/84/25/52/1017842552.db2.gz SHQXFIZNBQDHQB-NWDGAFQWSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)Cc1cnn2c1CCCC2 ZINC001601372533 1017842607 /nfs/dbraw/zinc/84/26/07/1017842607.db2.gz YZVZWFXNRITMHV-NSHDSACASA-N -1 0 318.337 -0.377 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)Cc2ccoc2)nc1 ZINC001601371401 1017842705 /nfs/dbraw/zinc/84/27/05/1017842705.db2.gz KBHTURHDTJLRNA-NSHDSACASA-N -1 0 320.305 -0.101 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2ccco2)C1 ZINC001601370731 1017843084 /nfs/dbraw/zinc/84/30/84/1017843084.db2.gz ZNPSJSSIKPRCAG-QWRGUYRKSA-N -1 0 322.317 -0.768 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)Cc2ccon2)nc1 ZINC001601371480 1017843111 /nfs/dbraw/zinc/84/31/11/1017843111.db2.gz OOIAONLKQBYLHS-SNVBAGLBSA-N -1 0 321.293 -0.706 20 0 DBADRM O=C([O-])C1(NC(=O)Cc2ncc[nH]2)CCS(=O)(=O)CC1 ZINC001601376533 1017844005 /nfs/dbraw/zinc/84/40/05/1017844005.db2.gz VRNVKHGJSOWIQV-UHFFFAOYSA-N -1 0 301.324 -0.900 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Cc2csc(-c3nc[nH]n3)n2)C1 ZINC001601374176 1017844166 /nfs/dbraw/zinc/84/41/66/1017844166.db2.gz YFUVQHILDIIEQF-UHFFFAOYSA-N -1 0 309.307 -0.871 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)Cc1n[nH]c(C2CCOCC2)n1 ZINC001601377604 1017844407 /nfs/dbraw/zinc/84/44/07/1017844407.db2.gz WKPODALJSWPMOO-VIFPVBQESA-N -1 0 312.326 -0.807 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@H]2CCCN2CC(F)F)nn1 ZINC001601382968 1017844788 /nfs/dbraw/zinc/84/47/88/1017844788.db2.gz YENBATXZTNSMAW-MRVPVSSYSA-N -1 0 317.296 -0.178 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@H]2Cc3ccccc3NC2=O)nn1 ZINC001601381763 1017845208 /nfs/dbraw/zinc/84/52/08/1017845208.db2.gz LTLAPFGFIBYXET-JTQLQIEISA-N -1 0 315.289 -0.344 20 0 DBADRM O=C([O-])[C@@H](Cc1cncs1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001601384466 1017845392 /nfs/dbraw/zinc/84/53/92/1017845392.db2.gz QLQOPOPBUPCDCA-MRVPVSSYSA-N -1 0 324.318 -0.783 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCCNC(=O)c2cccnc2)n1 ZINC001601385701 1017845430 /nfs/dbraw/zinc/84/54/30/1017845430.db2.gz VIKWGLQAJICNKA-UHFFFAOYSA-N -1 0 317.305 -0.478 20 0 DBADRM O=C([O-])c1cnc(CCNC(=O)Cn2ccc(=O)[nH]c2=O)s1 ZINC001601384152 1017845606 /nfs/dbraw/zinc/84/56/06/1017845606.db2.gz JOOYBBIBFVZEPT-UHFFFAOYSA-N -1 0 324.318 -0.538 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC001601684761 1017867986 /nfs/dbraw/zinc/86/79/86/1017867986.db2.gz MQFYKJDLIXLOJO-QWRGUYRKSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)c1 ZINC001601380903 1017845697 /nfs/dbraw/zinc/84/56/97/1017845697.db2.gz KFZVDKBLLKEQDC-QWRGUYRKSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCc2nnc3n2CCC3)c1=O ZINC001601387362 1017845836 /nfs/dbraw/zinc/84/58/36/1017845836.db2.gz CCBIXOAVDPWRPU-UHFFFAOYSA-N -1 0 317.305 -0.599 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)Cn1cccn1 ZINC001601389167 1017845915 /nfs/dbraw/zinc/84/59/15/1017845915.db2.gz FPDFRUBLEBUWRV-JLVKAVFRSA-N -1 0 306.322 -0.608 20 0 DBADRM O=C([O-])c1cnc(NCCNC(=O)Cn2ccccc2=O)nc1 ZINC001601389132 1017846164 /nfs/dbraw/zinc/84/61/64/1017846164.db2.gz BXZXJTGMIYHFFF-UHFFFAOYSA-N -1 0 317.305 -0.435 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N[C@H]2CCc3cncn3C2)c1=O ZINC001601386481 1017846409 /nfs/dbraw/zinc/84/64/09/1017846409.db2.gz HVYVJQLBIMFNPS-JTQLQIEISA-N -1 0 316.317 -0.126 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001601389658 1017846420 /nfs/dbraw/zinc/84/64/20/1017846420.db2.gz XFPKAHBESBLKLW-NAKRPEOUSA-N -1 0 306.322 -0.633 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N[C@H]2CCCCNC2=O)c1=O ZINC001601387256 1017846499 /nfs/dbraw/zinc/84/64/99/1017846499.db2.gz YDMKRDUUULSLCW-JTQLQIEISA-N -1 0 307.306 -0.669 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2C[C@@H](NC(=O)Cn3ccnc3)C2)n1 ZINC001601389619 1017846689 /nfs/dbraw/zinc/84/66/89/1017846689.db2.gz VMMHQPLKXPPXIR-MGCOHNPYSA-N -1 0 316.321 -0.448 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)N[C@@H](CC1CC1)C(=O)[O-] ZINC001601391039 1017846855 /nfs/dbraw/zinc/84/68/55/1017846855.db2.gz IAXFSHWRRBXWFO-JTQLQIEISA-N -1 0 308.338 -0.249 20 0 DBADRM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)Cn2ncnn2)C1 ZINC001601391555 1017846944 /nfs/dbraw/zinc/84/69/44/1017846944.db2.gz MDVLBLYDLDLXRG-CQSZACIVSA-N -1 0 301.306 -0.072 20 0 DBADRM O=C([O-])c1ccc(=O)n(CC(=O)NC(=O)NCC(F)(F)F)n1 ZINC001601391477 1017846996 /nfs/dbraw/zinc/84/69/96/1017846996.db2.gz ZGQWJKCYZWKPJF-UHFFFAOYSA-N -1 0 322.199 -0.670 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001601391857 1017847097 /nfs/dbraw/zinc/84/70/97/1017847097.db2.gz ZSPDGMWBPDWUJM-QMMMGPOBSA-N -1 0 300.290 -0.690 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)Nc1nc(C(=O)[O-])ns1 ZINC001601391681 1017847219 /nfs/dbraw/zinc/84/72/19/1017847219.db2.gz RILGVKCALPGQFG-UHFFFAOYSA-N -1 0 324.322 -0.431 20 0 DBADRM O=C([O-])C1(C2(O)CCN(C(=O)[C@@]3(O)CCOC3)CC2)CCC1 ZINC001601392778 1017847372 /nfs/dbraw/zinc/84/73/72/1017847372.db2.gz VACDPAGMXVQMIJ-CQSZACIVSA-N -1 0 313.350 -0.254 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCCC2)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601391083 1017847378 /nfs/dbraw/zinc/84/73/78/1017847378.db2.gz JAFXKUHAFHIFDY-JOYOIKCWSA-N -1 0 324.337 -0.871 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1cnc2[nH]ccc2c1 ZINC001601428915 1017847834 /nfs/dbraw/zinc/84/78/34/1017847834.db2.gz ORCBIWOVUIIQTR-JTQLQIEISA-N -1 0 300.278 -0.011 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@H](CO)[C@@H](O)c2ccccn2)cn1 ZINC001601420037 1017848466 /nfs/dbraw/zinc/84/84/66/1017848466.db2.gz LGORDJCLQMTCKE-OLZOCXBDSA-N -1 0 317.301 -0.001 20 0 DBADRM O=C([O-])C1(NC(=O)c2cc3n(n2)CCC[C@@H]3O)CC(CO)C1 ZINC001601428113 1017848501 /nfs/dbraw/zinc/84/85/01/1017848501.db2.gz SFNGVNMMYFSUNT-PGMTZQPISA-N -1 0 309.322 -0.334 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)c1cnc2nccn2c1 ZINC001601425541 1017848539 /nfs/dbraw/zinc/84/85/39/1017848539.db2.gz CPZYBTMSYURISB-SNVBAGLBSA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])C1(NC(=O)c2cc(Cn3cccn3)on2)CC(CO)C1 ZINC001601427693 1017848559 /nfs/dbraw/zinc/84/85/59/1017848559.db2.gz MFLSJHJXIFFOEU-UHFFFAOYSA-N -1 0 320.305 -0.125 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2cnns2)CC1 ZINC001601441447 1017849343 /nfs/dbraw/zinc/84/93/43/1017849343.db2.gz SDEATBKIJYQYFR-IUCAKERBSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)CNC(=O)c2cccc(O)c2)CC1 ZINC001601446325 1017849972 /nfs/dbraw/zinc/84/99/72/1017849972.db2.gz KZEWNCDQVZJNKZ-UHFFFAOYSA-N -1 0 322.317 -0.440 20 0 DBADRM O=C([O-])c1nccc(N2CCC(NC(=O)c3cnon3)CC2)n1 ZINC001601443845 1017850188 /nfs/dbraw/zinc/85/01/88/1017850188.db2.gz UOHHYLCHVUVFTB-UHFFFAOYSA-N -1 0 318.293 -0.043 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)CNC(=O)c2ccncc2)CC1 ZINC001601446041 1017850335 /nfs/dbraw/zinc/85/03/35/1017850335.db2.gz FWVAYBGDNYOLCI-ZDUSSCGKSA-N -1 0 321.333 -0.505 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001601443201 1017850550 /nfs/dbraw/zinc/85/05/50/1017850550.db2.gz GHKCKENSOQNNRH-KXUCPTDWSA-N -1 0 316.321 -0.460 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)CNC(=O)c1ccncc1 ZINC001601449955 1017851071 /nfs/dbraw/zinc/85/10/71/1017851071.db2.gz RZXMSXYJROJEDZ-ZYHUDNBSSA-N -1 0 307.306 -0.752 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)c1ccc(F)cc1 ZINC001601449411 1017851144 /nfs/dbraw/zinc/85/11/44/1017851144.db2.gz WMRSDHZGGOFXHU-MNOVXSKESA-N -1 0 310.281 -0.398 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)CNC(=O)c1cccnc1 ZINC001601449633 1017851271 /nfs/dbraw/zinc/85/12/71/1017851271.db2.gz KAZZWHCCJTUVRY-PWSUYJOCSA-N -1 0 307.306 -0.752 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)c1ccc2n[nH]nc2n1)[C@@H]1CCOC1 ZINC001601457330 1017851299 /nfs/dbraw/zinc/85/12/99/1017851299.db2.gz SQGCYQJUAZZMBA-SFYZADRCSA-N -1 0 305.294 -0.180 20 0 DBADRM O=C([O-])[C@H](CNC(=O)c1cnn(C[C@@H](O)CO)c1)CC1CC1 ZINC001601458715 1017851431 /nfs/dbraw/zinc/85/14/31/1017851431.db2.gz NSILCYONRHAKFZ-CMPLNLGQSA-N -1 0 311.338 -0.533 20 0 DBADRM O=C([O-])c1cc(F)c(F)cc1NC(=O)C(=O)NC[C@H](O)CO ZINC001601466079 1017851514 /nfs/dbraw/zinc/85/15/14/1017851514.db2.gz GQZOXWDAHRDKKN-YFKPBYRVSA-N -1 0 318.232 -0.929 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)NC[C@H](O)CO)c(F)cc1F ZINC001601466544 1017851523 /nfs/dbraw/zinc/85/15/23/1017851523.db2.gz MTFRRCGMAKUSLZ-YFKPBYRVSA-N -1 0 318.232 -0.929 20 0 DBADRM O=C([O-])[C@H]1CCN1C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC001601449916 1017851602 /nfs/dbraw/zinc/85/16/02/1017851602.db2.gz PUYLQQUZCVNHBP-SECBINFHSA-N -1 0 306.274 -0.169 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@H](O)CN2CCCC2=O)cn1 ZINC001601467059 1017851816 /nfs/dbraw/zinc/85/18/16/1017851816.db2.gz XPLXXYDRVFRXJD-JTQLQIEISA-N -1 0 307.306 -0.507 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)CCOC1 ZINC001601473771 1017852129 /nfs/dbraw/zinc/85/21/29/1017852129.db2.gz MHROUDGXZOJXTD-ISVAXAHUSA-N -1 0 310.310 -0.846 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCC1(CNC(=O)c2nnc[nH]2)CC1 ZINC001601475058 1017852193 /nfs/dbraw/zinc/85/21/93/1017852193.db2.gz ZYIQEVBIQGXMRJ-BDAKNGLRSA-N -1 0 321.337 -0.458 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ccncn2)CCC1 ZINC001601475439 1017852381 /nfs/dbraw/zinc/85/23/81/1017852381.db2.gz CSCHPOXAOXCVTE-ZJUUUORDSA-N -1 0 318.333 -0.034 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)c2cnc3sccn3c2=O)CCOC1 ZINC001601473643 1017852417 /nfs/dbraw/zinc/85/24/17/1017852417.db2.gz VGGDLGJGQOMGET-ZDUSSCGKSA-N -1 0 323.330 -0.023 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)[C@@H]2COCCN2CC(F)F)CCOC1 ZINC001601473128 1017852521 /nfs/dbraw/zinc/85/25/21/1017852521.db2.gz ITMXDGWVYLOGON-ZANVPECISA-N -1 0 322.308 -0.440 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)c2ccnc3[nH]c(=O)[nH]c32)CCOC1 ZINC001601471280 1017852596 /nfs/dbraw/zinc/85/25/96/1017852596.db2.gz BSSUETNGUKMWLY-CYBMUJFWSA-N -1 0 306.278 -0.115 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC001601475176 1017853068 /nfs/dbraw/zinc/85/30/68/1017853068.db2.gz GTRKBJREEMVXSB-DTWKUNHWSA-N -1 0 305.352 -0.847 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@H]1CCOC1)C2 ZINC001601485894 1017853244 /nfs/dbraw/zinc/85/32/44/1017853244.db2.gz JQQXHTLDOXUPDH-ZETOZRRWSA-N -1 0 310.350 -0.148 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001601481520 1017853508 /nfs/dbraw/zinc/85/35/08/1017853508.db2.gz SXYGTVCTLIXTIJ-BNDIWNMDSA-N -1 0 324.377 -0.167 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC001601487841 1017853518 /nfs/dbraw/zinc/85/35/18/1017853518.db2.gz JSPXTEPMMFVOLD-SECBINFHSA-N -1 0 308.290 -0.333 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001601486306 1017853812 /nfs/dbraw/zinc/85/38/12/1017853812.db2.gz MVIIAMQLAGRFSA-IVZWLZJFSA-N -1 0 320.367 -0.790 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2ccncc2)C1 ZINC001601487770 1017854158 /nfs/dbraw/zinc/85/41/58/1017854158.db2.gz ITTAHYJQDJKMPO-NEPJUHHUSA-N -1 0 303.318 -0.010 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CCNC(=O)c2ccc(F)cc2)C1 ZINC001601491085 1017854314 /nfs/dbraw/zinc/85/43/14/1017854314.db2.gz ITUYWTURUBEEIY-UHFFFAOYSA-N -1 0 310.281 -0.397 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)C(=O)NCCC3CC3)C2)nn1 ZINC001601492490 1017854608 /nfs/dbraw/zinc/85/46/08/1017854608.db2.gz SHAGHICWAJXLFD-SNVBAGLBSA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2cccnn2)C1 ZINC001601488331 1017854629 /nfs/dbraw/zinc/85/46/29/1017854629.db2.gz OZYBDFLQZKBXIC-ZJUUUORDSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)C2=CCOCC2)C1 ZINC001601488505 1017854651 /nfs/dbraw/zinc/85/46/51/1017854651.db2.gz RDHZNIMPUOGUBJ-NEPJUHHUSA-N -1 0 308.334 -0.372 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)c1cc[n+]([O-])cc1 ZINC001601491373 1017855236 /nfs/dbraw/zinc/85/52/36/1017855236.db2.gz KHMZDEUYHYALNG-JZIZGNRHSA-N -1 0 319.317 -0.557 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CCNC(=O)c1cnccn1)C1CC1 ZINC001601501970 1017855372 /nfs/dbraw/zinc/85/53/72/1017855372.db2.gz VLQHKLLUWTUBJD-WDEREUQCSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCCO[C@H]2CCOC2)C1 ZINC001601499376 1017855496 /nfs/dbraw/zinc/85/54/96/1017855496.db2.gz GSAIYUPWGDXQKV-MNOVXSKESA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)C(=O)NCC2CC2)n1 ZINC001601499244 1017855585 /nfs/dbraw/zinc/85/55/85/1017855585.db2.gz FMKUKPRUHSXBCT-UHFFFAOYSA-N -1 0 321.337 -0.959 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)NCCCN2C(=O)CNC2=O)C1 ZINC001601497892 1017856004 /nfs/dbraw/zinc/85/60/04/1017856004.db2.gz FDPQGRYLVLLWKZ-VIFPVBQESA-N -1 0 310.310 -0.599 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCCCO[C@H]1CCOC1 ZINC001601499232 1017856012 /nfs/dbraw/zinc/85/60/12/1017856012.db2.gz DZXAVRKDAZPIHE-GRYCIOLGSA-N -1 0 316.354 -0.029 20 0 DBADRM O=C([O-])c1ccc(OCCNC(=O)C(=O)N[C@H]2CCOC2)cc1 ZINC001601504852 1017856527 /nfs/dbraw/zinc/85/65/27/1017856527.db2.gz CTFZFJGDAHZLDZ-NSHDSACASA-N -1 0 322.317 -0.215 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNC(=O)c1cnc2n1CCC2 ZINC001601503935 1017856766 /nfs/dbraw/zinc/85/67/66/1017856766.db2.gz OGSPANMPKUZOGX-BDAKNGLRSA-N -1 0 306.322 -0.604 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1cnn2cccnc12 ZINC001601503883 1017856934 /nfs/dbraw/zinc/85/69/34/1017856934.db2.gz NXRROEVBFTYCOP-DTWKUNHWSA-N -1 0 317.305 -0.704 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCNC(=O)c2cnccn2)C1 ZINC001601502847 1017857381 /nfs/dbraw/zinc/85/73/81/1017857381.db2.gz ABKNYBSMFRDEAF-VHSXEESVSA-N -1 0 306.322 -0.177 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@@H]2CCn3ccnc32)nn1 ZINC001601517457 1017857753 /nfs/dbraw/zinc/85/77/53/1017857753.db2.gz KDKDVCBXKFEAHT-MRVPVSSYSA-N -1 0 305.298 -0.383 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@H]2C[C@@H](O)C23CCC3)nn1 ZINC001601517437 1017857852 /nfs/dbraw/zinc/85/78/52/1017857852.db2.gz JSXGVKWAGSMSLC-VHSXEESVSA-N -1 0 309.326 -0.421 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@H]2CCc3n[nH]cc3C2)nn1 ZINC001601518428 1017858019 /nfs/dbraw/zinc/85/80/19/1017858019.db2.gz VBIZIZACADRVDC-VIFPVBQESA-N -1 0 319.325 -0.444 20 0 DBADRM O=C([O-])c1c(F)cccc1NC(=O)C(=O)NCCc1nnc[nH]1 ZINC001601515830 1017858427 /nfs/dbraw/zinc/85/84/27/1017858427.db2.gz FZFSTMVNNHWZNI-UHFFFAOYSA-N -1 0 321.268 -0.061 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@@H]2COC[C@H]2C2CC2)nn1 ZINC001601517823 1017858527 /nfs/dbraw/zinc/85/85/27/1017858527.db2.gz OCTYGXZIKMKMDR-GXSJLCMTSA-N -1 0 309.326 -0.300 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001601522761 1017859055 /nfs/dbraw/zinc/85/90/55/1017859055.db2.gz FUBBAZNKHZTODO-LZQZFOIKSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@]23C[C@H]2CCC3)C1 ZINC001601520703 1017859378 /nfs/dbraw/zinc/85/93/78/1017859378.db2.gz NCHQIVMTIMGTQP-OZWUEAAUSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC001601526915 1017859764 /nfs/dbraw/zinc/85/97/64/1017859764.db2.gz JVCIOFGUOFLYSZ-WRWGMCAJSA-N -1 0 310.350 -0.245 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC001601524023 1017859854 /nfs/dbraw/zinc/85/98/54/1017859854.db2.gz NEIPLPDPGONYCX-JTQLQIEISA-N -1 0 316.273 -0.649 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC001601526667 1017859860 /nfs/dbraw/zinc/85/98/60/1017859860.db2.gz GHMQIWXIXLBUFX-QCNOEVLYSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CO)[C@@H]1CCOC1 ZINC001601523448 1017859907 /nfs/dbraw/zinc/85/99/07/1017859907.db2.gz HWMCGTGFQCIFKR-GWOFURMSSA-N -1 0 302.327 -0.827 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC001601526479 1017860073 /nfs/dbraw/zinc/86/00/73/1017860073.db2.gz CLXQKSYOPKHMGQ-QCNOEVLYSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC001601524259 1017860163 /nfs/dbraw/zinc/86/01/63/1017860163.db2.gz POHLAAQTAKFTCT-RYUDHWBXSA-N -1 0 306.318 -0.290 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC001601524151 1017860430 /nfs/dbraw/zinc/86/04/30/1017860430.db2.gz VFMOLRXCVZDTBE-LBPRGKRZSA-N -1 0 312.297 -0.162 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001601526478 1017860504 /nfs/dbraw/zinc/86/05/04/1017860504.db2.gz CLXQKSYOPKHMGQ-KKOKHZNYSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CO)C[C@H]1CCCO1 ZINC001601524360 1017860662 /nfs/dbraw/zinc/86/06/62/1017860662.db2.gz XEHTYKSPWUQFGJ-WRWGMCAJSA-N -1 0 316.354 -0.295 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C(F)F)C1 ZINC001601527000 1017861043 /nfs/dbraw/zinc/86/10/43/1017861043.db2.gz MZGUAHVXDKPJMV-BWZBUEFSSA-N -1 0 306.265 -0.684 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)C(=O)NCc2ccncc2)C1 ZINC001601545668 1017861083 /nfs/dbraw/zinc/86/10/83/1017861083.db2.gz ZOXKMMYZGQWJIF-LLVKDONJSA-N -1 0 323.374 -0.026 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1(F)F ZINC001601530216 1017861335 /nfs/dbraw/zinc/86/13/35/1017861335.db2.gz UYFOYIGLWXOQSE-FJXKBIBVSA-N -1 0 315.280 -0.292 20 0 DBADRM O=C(NCc1ccn2ccnc2c1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601544622 1017861365 /nfs/dbraw/zinc/86/13/65/1017861365.db2.gz BLHRKNDXDSAMGG-PHIMTYICSA-N -1 0 316.317 -0.070 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001601527324 1017861421 /nfs/dbraw/zinc/86/14/21/1017861421.db2.gz YXHYSRQNOLASNS-NDBYEHHHSA-N -1 0 323.393 -0.044 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCc2cccc(F)c2)C1 ZINC001601541230 1017861464 /nfs/dbraw/zinc/86/14/64/1017861464.db2.gz HIKVMZJZZOFZPK-ZYHUDNBSSA-N -1 0 324.308 -0.264 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)[C@H]2CCc3nncn3C2)C1(F)F ZINC001601529842 1017861542 /nfs/dbraw/zinc/86/15/42/1017861542.db2.gz LRBMTMIZJNIYLL-ZKWXMUAHSA-N -1 0 300.265 -0.077 20 0 DBADRM O=C([O-])c1coc(CNC(=O)C2=NN(CCO)C(=O)CC2)c1 ZINC001601531658 1017861565 /nfs/dbraw/zinc/86/15/65/1017861565.db2.gz PHVVXARXPSSKGD-UHFFFAOYSA-N -1 0 309.278 -0.435 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NCc2ccccc2)C1 ZINC001601542773 1017861581 /nfs/dbraw/zinc/86/15/81/1017861581.db2.gz QAMXEONZHSOTOM-RYUDHWBXSA-N -1 0 306.318 -0.403 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)c2cnn(C[C@H](O)CO)c2)cn1 ZINC001601535098 1017861671 /nfs/dbraw/zinc/86/16/71/1017861671.db2.gz GZIVAXOQVPLUNX-NSHDSACASA-N -1 0 320.305 -0.741 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCc1nnc(C2CC2)[nH]1 ZINC001601549761 1017861885 /nfs/dbraw/zinc/86/18/85/1017861885.db2.gz VWUPWXLVJFHJNZ-PSASIEDQSA-N -1 0 309.326 -0.029 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2cnsn2)C1 ZINC001601573638 1017862016 /nfs/dbraw/zinc/86/20/16/1017862016.db2.gz IFYFHBDDIJGQSD-UYXSQOIJSA-N -1 0 324.362 -0.117 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc(N2CCOCC2)ncn1 ZINC001601572133 1017862074 /nfs/dbraw/zinc/86/20/74/1017862074.db2.gz LFEHXWDVLXNZMU-AOOOYVTPSA-N -1 0 306.322 -0.094 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)N1CCC[C@H](CO)C1)C2 ZINC001601573106 1017862252 /nfs/dbraw/zinc/86/22/52/1017862252.db2.gz ARXCUWWKZJXOOJ-DDIVZENXSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1cccc(-n2cnnn2)c1 ZINC001601569938 1017862432 /nfs/dbraw/zinc/86/24/32/1017862432.db2.gz BHQAIJRUBHGOGD-WDEREUQCSA-N -1 0 303.278 -0.366 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001601568198 1017862613 /nfs/dbraw/zinc/86/26/13/1017862613.db2.gz KWLPKLFVMNKCAN-MWLCHTKSSA-N -1 0 303.322 -0.019 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001601568504 1017862661 /nfs/dbraw/zinc/86/26/61/1017862661.db2.gz VMMSXFYPXPTJJN-PSASIEDQSA-N -1 0 304.310 -0.240 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2cncnc2)C1 ZINC001601573131 1017863026 /nfs/dbraw/zinc/86/30/26/1017863026.db2.gz BCDXBVNODINXBM-VLEAKVRGSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2cnccn2)C1 ZINC001601574713 1017863245 /nfs/dbraw/zinc/86/32/45/1017863245.db2.gz ZBUIXAVMSMAJOM-LMLFDSFASA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnns1 ZINC001601578140 1017863510 /nfs/dbraw/zinc/86/35/10/1017863510.db2.gz JHAUVPQEEMVXIU-RZWYQDGFSA-N -1 0 322.346 -0.555 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnns1 ZINC001601577938 1017863516 /nfs/dbraw/zinc/86/35/16/1017863516.db2.gz JHAUVPQEEMVXIU-BGJNVIQHSA-N -1 0 322.346 -0.555 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncn1 ZINC001601579487 1017863699 /nfs/dbraw/zinc/86/36/99/1017863699.db2.gz XCQWTZTZHINDFB-KUNJHIDRSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)c2ncccc2O)C1 ZINC001601578854 1017863911 /nfs/dbraw/zinc/86/39/11/1017863911.db2.gz YNHXMYKJPCHWNE-AATLWQCWSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)ccc1F ZINC001601604685 1017864020 /nfs/dbraw/zinc/86/40/20/1017864020.db2.gz GJPFLRIGOSQMGW-AOOOYVTPSA-N -1 0 312.253 -0.974 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC001601578332 1017864146 /nfs/dbraw/zinc/86/41/46/1017864146.db2.gz NDAPNNXFVLFBAA-AMXGMDGSSA-N -1 0 324.255 -0.509 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCC(O)(CO)CC2)cc1 ZINC001601597604 1017864164 /nfs/dbraw/zinc/86/41/64/1017864164.db2.gz YFJCUVUAYGMPCF-UHFFFAOYSA-N -1 0 322.317 -0.331 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)[C@@H]1CCCC12OCCO2 ZINC001601643746 1017865077 /nfs/dbraw/zinc/86/50/77/1017865077.db2.gz FFZJIMREGIBADS-UWVGGRQHSA-N -1 0 315.322 -0.138 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001601656371 1017865111 /nfs/dbraw/zinc/86/51/11/1017865111.db2.gz GTDPIOZDCNHXJU-OLZOCXBDSA-N -1 0 308.334 -0.551 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C1(CO)CCOCC1)[C@H]1CCOC1 ZINC001601648225 1017865224 /nfs/dbraw/zinc/86/52/24/1017865224.db2.gz YLOGMFURAWJNDL-WDEREUQCSA-N -1 0 301.339 -0.371 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001601656421 1017865241 /nfs/dbraw/zinc/86/52/41/1017865241.db2.gz IUBUFCJYZXVHOR-NXEZZACHSA-N -1 0 313.331 -0.491 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@@H]1CCOC1 ZINC001601653716 1017865366 /nfs/dbraw/zinc/86/53/66/1017865366.db2.gz KXOSYAFKRRNALU-KSSYENDESA-N -1 0 313.350 -0.109 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)[C@H](O)c1ccccn1 ZINC001601646749 1017865710 /nfs/dbraw/zinc/86/57/10/1017865710.db2.gz XEICDFDYQROBLJ-ZYHUDNBSSA-N -1 0 310.306 -0.163 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)CNC(=O)N2CCCC2)CC1 ZINC001601681047 1017866150 /nfs/dbraw/zinc/86/61/50/1017866150.db2.gz AOXBBIAAWCOWLR-GFCCVEGCSA-N -1 0 313.354 -0.524 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@H]1CCCC12OCCO2 ZINC001601662216 1017866237 /nfs/dbraw/zinc/86/62/37/1017866237.db2.gz HGMZTHRKAXHACZ-MNOVXSKESA-N -1 0 309.322 -0.004 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@]12C[C@H]1COC21CCC1 ZINC001601663406 1017866416 /nfs/dbraw/zinc/86/64/16/1017866416.db2.gz TWPPNZKAJASCGB-BHDSKKPTSA-N -1 0 306.322 -0.193 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCCCS1(=O)=O ZINC001601662524 1017866899 /nfs/dbraw/zinc/86/68/99/1017866899.db2.gz IRXSJOXLONIMRU-UWVGGRQHSA-N -1 0 315.351 -0.580 20 0 DBADRM O=C([O-])C1(C(=O)NCC2(N3CCOCC3)CCOCC2)CC1 ZINC001601699873 1017867529 /nfs/dbraw/zinc/86/75/29/1017867529.db2.gz GVTLIKILJDXUOQ-UHFFFAOYSA-N -1 0 312.366 -0.151 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)C2(n3cnnn3)CCCCC2)CCOC1 ZINC001601709471 1017867577 /nfs/dbraw/zinc/86/75/77/1017867577.db2.gz ZJGJMMIEDDRTRH-ZDUSSCGKSA-N -1 0 323.353 -0.060 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC001601684405 1017867628 /nfs/dbraw/zinc/86/76/28/1017867628.db2.gz LAKNPRDUFKCNDP-SNVBAGLBSA-N -1 0 307.310 -0.925 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC001601684762 1017867724 /nfs/dbraw/zinc/86/77/24/1017867724.db2.gz MQFYKJDLIXLOJO-WDEREUQCSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N[C@H]2CCc3nnnn3CC2)CC1 ZINC001601713624 1017868417 /nfs/dbraw/zinc/86/84/17/1017868417.db2.gz NYKITMKTRZJMFK-QMMMGPOBSA-N -1 0 315.355 -0.838 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCn3ncnc3C2)CCC1 ZINC001601713195 1017868982 /nfs/dbraw/zinc/86/89/82/1017868982.db2.gz PIWMVCLEKBQNHA-UHFFFAOYSA-N -1 0 300.340 -0.322 20 0 DBADRM O=C([O-])[C@]1(F)CCN(c2nnc(CO)n2C[C@H]2CCOC2)C1 ZINC001601721060 1017868998 /nfs/dbraw/zinc/86/89/98/1017868998.db2.gz VPZQSMMSFANNQP-RNCFNFMXSA-N -1 0 314.317 -0.190 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCC[C@@]2(O)CCCOC2)CC1 ZINC001601714130 1017869159 /nfs/dbraw/zinc/86/91/59/1017869159.db2.gz APNZATLDAKMJRO-LBPRGKRZSA-N -1 0 307.368 -0.298 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCO[C@@H]2CCOC2)CCC1 ZINC001601716215 1017869311 /nfs/dbraw/zinc/86/93/11/1017869311.db2.gz NGNXCLQFGONANO-SNVBAGLBSA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC001601726245 1017870092 /nfs/dbraw/zinc/87/00/92/1017870092.db2.gz IXGLDBOQKBRXOT-WDEREUQCSA-N -1 0 318.395 -0.125 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCCNc2cnccn2)CCC1 ZINC001601724366 1017870200 /nfs/dbraw/zinc/87/02/00/1017870200.db2.gz DCZRLFBXWYEZNU-UHFFFAOYSA-N -1 0 300.340 -0.185 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)N2CCCOCC2)CCSC1 ZINC001601721876 1017870258 /nfs/dbraw/zinc/87/02/58/1017870258.db2.gz CYDFFFYKTPROSF-SNVBAGLBSA-N -1 0 310.397 -0.497 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)C1 ZINC001601734560 1017871319 /nfs/dbraw/zinc/87/13/19/1017871319.db2.gz FHSMWZQEXLDIIV-JAPZVGMSSA-N -1 0 307.302 -0.003 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)C1 ZINC001601737047 1017871579 /nfs/dbraw/zinc/87/15/79/1017871579.db2.gz NEKBSDJGSONTGT-IAQYHMDHSA-N -1 0 308.334 -0.085 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)CNCC(F)(F)F)C2)C1 ZINC001601741946 1017871836 /nfs/dbraw/zinc/87/18/36/1017871836.db2.gz OHCZEJGHNWDEGZ-JTQLQIEISA-N -1 0 309.244 -0.030 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)c3cnn(CCO)c3)C2)C1 ZINC001601742772 1017872076 /nfs/dbraw/zinc/87/20/76/1017872076.db2.gz FCYPQEDWQSOZJP-CYBMUJFWSA-N -1 0 308.294 -0.679 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1S(=O)(=O)C[C@@H]1CCCCO1 ZINC001601752397 1017872180 /nfs/dbraw/zinc/87/21/80/1017872180.db2.gz JYIJWYPZURUGEH-DCAQKATOSA-N -1 0 307.368 -0.205 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)Cc1nc2ncccn2n1 ZINC001601749972 1017872235 /nfs/dbraw/zinc/87/22/35/1017872235.db2.gz GKAXISBUYKVIND-GZMMTYOYSA-N -1 0 305.294 -0.897 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1ccc(-n2ccnc2)nn1 ZINC001601757654 1017873117 /nfs/dbraw/zinc/87/31/17/1017873117.db2.gz HZLRFDAOKIFRSD-PWSUYJOCSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001601757518 1017873145 /nfs/dbraw/zinc/87/31/45/1017873145.db2.gz HCKALLCMXNOEQP-BDAKNGLRSA-N -1 0 306.278 -0.286 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1cc(Cn2cccn2)on1 ZINC001601756643 1017873389 /nfs/dbraw/zinc/87/33/89/1017873389.db2.gz CWMVCNCNJSRHQU-VXGBXAGGSA-N -1 0 320.305 -0.031 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1Cc1cn(C[C@H]2CCOC2)nn1 ZINC001601757801 1017873680 /nfs/dbraw/zinc/87/36/80/1017873680.db2.gz XXSPOARJBIXHAG-RTXFEEFZSA-N -1 0 310.354 -0.276 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1ccnc(-n2cncn2)c1 ZINC001601758393 1017873795 /nfs/dbraw/zinc/87/37/95/1017873795.db2.gz QCGQWDBVQTYNIZ-JQWIXIFHSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1cc(Cn2cccn2)on1 ZINC001601756642 1017873971 /nfs/dbraw/zinc/87/39/71/1017873971.db2.gz CWMVCNCNJSRHQU-RYUDHWBXSA-N -1 0 320.305 -0.031 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)Cn2nnc3ccccc32)C1 ZINC001601760970 1017874204 /nfs/dbraw/zinc/87/42/04/1017874204.db2.gz CRKPALQJUGGYNU-VHSXEESVSA-N -1 0 304.306 -0.275 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC[C@H](F)C2)C1 ZINC001601761052 1017874333 /nfs/dbraw/zinc/87/43/33/1017874333.db2.gz ZBCSIJQINNPGEN-KXUCPTDWSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])C1CC(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC001601760173 1017874447 /nfs/dbraw/zinc/87/44/47/1017874447.db2.gz GBHSRRQLNVVZBL-UDNWOFFPSA-N -1 0 315.351 -0.014 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001601764523 1017874492 /nfs/dbraw/zinc/87/44/92/1017874492.db2.gz HYLCOORZHOKMPI-JLLWLGSASA-N -1 0 305.334 -0.125 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCCO[C@@H]2CCOC2)C1 ZINC001601763236 1017874544 /nfs/dbraw/zinc/87/45/44/1017874544.db2.gz OPXKAGODAAJVRX-OUAUKWLOSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])C1CC(NS(=O)(=O)c2cnn3c2OCCC3)C1 ZINC001601760126 1017874708 /nfs/dbraw/zinc/87/47/08/1017874708.db2.gz BPYSLNGVZZRYPP-UHFFFAOYSA-N -1 0 301.324 -0.193 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)NCC2CC3(C2)OCCO3)C1 ZINC001601763244 1017874804 /nfs/dbraw/zinc/87/48/04/1017874804.db2.gz OTCKPOLJSSUWSA-QWRGUYRKSA-N -1 0 314.338 -0.384 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)Cn2nnc3ccccc32)C1 ZINC001601760968 1017874869 /nfs/dbraw/zinc/87/48/69/1017874869.db2.gz CRKPALQJUGGYNU-NXEZZACHSA-N -1 0 304.306 -0.275 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC23CCCC3)C1 ZINC001601760599 1017874926 /nfs/dbraw/zinc/87/49/26/1017874926.db2.gz QJYJAVPAFPAXAF-WDEREUQCSA-N -1 0 310.350 -0.175 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCC2CC3(C2)OCCO3)C1 ZINC001601763243 1017874983 /nfs/dbraw/zinc/87/49/83/1017874983.db2.gz OTCKPOLJSSUWSA-MNOVXSKESA-N -1 0 314.338 -0.384 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)N[C@H]2CCc3c[nH]nc3C2)C1 ZINC001601762124 1017875001 /nfs/dbraw/zinc/87/50/01/1017875001.db2.gz KFMQLMUQWNKJRP-OUAUKWLOSA-N -1 0 308.338 -0.256 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2CC(CC3CC3)C2)C1 ZINC001601760531 1017875126 /nfs/dbraw/zinc/87/51/26/1017875126.db2.gz OPUONHMWHJAWCN-NWDGAFQWSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2CC3(C2)CCCC3)C1 ZINC001601760770 1017875138 /nfs/dbraw/zinc/87/51/38/1017875138.db2.gz SVYSJZPPUKSAIW-WDEREUQCSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(S(=O)(=O)CCOCC2CCC2)C1 ZINC001601767874 1017875293 /nfs/dbraw/zinc/87/52/93/1017875293.db2.gz GXLTXEUJUYTWDG-NEPJUHHUSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC001601768558 1017875508 /nfs/dbraw/zinc/87/55/08/1017875508.db2.gz JOSKKZYZACYQPQ-HWUMTFDVSA-N -1 0 305.352 -0.597 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C2(N3CCOCC3)CCC2)C1 ZINC001601767946 1017875521 /nfs/dbraw/zinc/87/55/21/1017875521.db2.gz SQXKGELPPCJGAM-NEPJUHHUSA-N -1 0 312.366 -0.465 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C2CN(CC(F)(F)F)C2)C1 ZINC001601765711 1017875547 /nfs/dbraw/zinc/87/55/47/1017875547.db2.gz MNFXBOLBUPMTDN-CBAPKCEASA-N -1 0 310.272 -0.226 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)CN2C(=O)Cc3ccccc32)C1 ZINC001601768327 1017875618 /nfs/dbraw/zinc/87/56/18/1017875618.db2.gz UKIITJTYMRWWMW-NWDGAFQWSA-N -1 0 318.329 -0.130 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001601765342 1017875755 /nfs/dbraw/zinc/87/57/55/1017875755.db2.gz KKLSHBKMXYUFPT-SCZZXKLOSA-N -1 0 317.363 -0.895 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2cccc(-n3cncn3)n2)C1 ZINC001601767754 1017875830 /nfs/dbraw/zinc/87/58/30/1017875830.db2.gz XTCHLTXJHAUBGJ-NXEZZACHSA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(c2nc(Cl)nc3[nH]c(=O)[nH]c32)C1 ZINC001601766595 1017875836 /nfs/dbraw/zinc/87/58/36/1017875836.db2.gz AOLMSXNOPZCUBC-RFZPGFLSSA-N -1 0 313.701 -0.016 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(CCn2cnc(Br)n2)C1 ZINC001601766645 1017876120 /nfs/dbraw/zinc/87/61/20/1017876120.db2.gz COZODSFZUDUDAO-HTQZYQBOSA-N -1 0 319.159 -0.192 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCn1cncn1 ZINC001601775491 1017876676 /nfs/dbraw/zinc/87/66/76/1017876676.db2.gz FDTFRCZLDWQISX-XQHKEYJVSA-N -1 0 319.365 -0.326 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCO)CCNCc1cnsn1 ZINC001601775797 1017877333 /nfs/dbraw/zinc/87/73/33/1017877333.db2.gz LGJLDGUHZPYPDA-NXEZZACHSA-N -1 0 314.367 -0.831 20 0 DBADRM CC[C@H](CNC(=O)C(C)(C)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001498867084 1017877457 /nfs/dbraw/zinc/87/74/57/1017877457.db2.gz JNXMXAPNBBUPSG-ZCFIWIBFSA-N -1 0 315.305 -0.345 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(S(=O)(=O)C[C@@H]2CCCCO2)C1 ZINC001601769706 1017877409 /nfs/dbraw/zinc/87/74/09/1017877409.db2.gz PQEWKUAHWWRISA-MXWKQRLJSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)c1cnon1)C2 ZINC001601775318 1017877459 /nfs/dbraw/zinc/87/74/59/1017877459.db2.gz AQMOEZPCURBZPV-DTWKUNHWSA-N -1 0 320.305 -0.535 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]c1 ZINC001601776134 1017877819 /nfs/dbraw/zinc/87/78/19/1017877819.db2.gz SUHDKXDIQMSYLH-USZNOCQGSA-N -1 0 318.333 -0.054 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001601776149 1017877829 /nfs/dbraw/zinc/87/78/29/1017877829.db2.gz UCDLJQHCCBSJGL-KVSVUVNWSA-N -1 0 322.361 -0.293 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)Cn2cncn2)CC1 ZINC001601777137 1017877963 /nfs/dbraw/zinc/87/79/63/1017877963.db2.gz GBLXOSNHHXIIMA-GHMZBOCLSA-N -1 0 321.337 -0.940 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2CN(Cc3cnon3)C[C@H]2C1 ZINC001601776912 1017878043 /nfs/dbraw/zinc/87/80/43/1017878043.db2.gz DVWYLAOEXCCUFY-QCMRWSPLSA-N -1 0 306.322 -0.320 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccccc2)C1 ZINC001601776768 1017878200 /nfs/dbraw/zinc/87/82/00/1017878200.db2.gz CEKMCAPIOIZDKK-NWDGAFQWSA-N -1 0 318.329 -0.290 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)CC2(O)CCC2)CC1 ZINC001601776662 1017878440 /nfs/dbraw/zinc/87/84/40/1017878440.db2.gz DAPUDDWBUIHTPH-WDEREUQCSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1=CCN(C(=O)c2cnon2)CC1 ZINC001601777125 1017878562 /nfs/dbraw/zinc/87/85/62/1017878562.db2.gz CZMVVEOPUKMNNX-NXEZZACHSA-N -1 0 320.305 -0.321 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)CC1CCC1 ZINC001601777737 1017878849 /nfs/dbraw/zinc/87/88/49/1017878849.db2.gz FGOQZJCSPQRHIT-VXGBXAGGSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)CC1CCC1 ZINC001601777734 1017879115 /nfs/dbraw/zinc/87/91/15/1017879115.db2.gz FGOQZJCSPQRHIT-NWDGAFQWSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cccnn2)CC1 ZINC001601777209 1017879123 /nfs/dbraw/zinc/87/91/23/1017879123.db2.gz GKRQLYZWBTUGGK-VHSXEESVSA-N -1 0 304.306 -0.518 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)CCn2cncn2)CC1 ZINC001601777507 1017879369 /nfs/dbraw/zinc/87/93/69/1017879369.db2.gz IBIJUUXDDKLACX-GHMZBOCLSA-N -1 0 321.337 -0.940 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)CCc2ccncn2)C1 ZINC001601777446 1017879672 /nfs/dbraw/zinc/87/96/72/1017879672.db2.gz FOFQLTBQZTUMOB-NEPJUHHUSA-N -1 0 318.333 -0.543 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2cncs2)C1 ZINC001601778965 1017880177 /nfs/dbraw/zinc/88/01/77/1017880177.db2.gz JVHBHAXBCSCGPA-VHSXEESVSA-N -1 0 311.363 -0.473 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCN(C(=O)c1ncccn1)C1CC1 ZINC001601779318 1017880210 /nfs/dbraw/zinc/88/02/10/1017880210.db2.gz IQBKUPZUEYJHSA-WDEREUQCSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2cncnc2)CC1 ZINC001601779075 1017880340 /nfs/dbraw/zinc/88/03/40/1017880340.db2.gz LCVWLZIWGQDYKY-NEPJUHHUSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001601779635 1017880556 /nfs/dbraw/zinc/88/05/56/1017880556.db2.gz PRTLLNREZJWIBH-BDAKNGLRSA-N -1 0 320.305 -0.813 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ccnnc2)CC1 ZINC001601779672 1017880565 /nfs/dbraw/zinc/88/05/65/1017880565.db2.gz QDSNIPRNTFTDFQ-MNOVXSKESA-N -1 0 304.306 -0.518 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNCc1nc(CC2CC2)no1 ZINC001601781303 1017881706 /nfs/dbraw/zinc/88/17/06/1017881706.db2.gz OVKMBNUUJMDOAV-UWVGGRQHSA-N -1 0 308.338 -0.051 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)c3ccon3)C[C@@H]2C1 ZINC001601780670 1017882090 /nfs/dbraw/zinc/88/20/90/1017882090.db2.gz STQJPUPZWBRYIW-ZRUFSTJUSA-N -1 0 319.317 -0.074 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001601783716 1017882499 /nfs/dbraw/zinc/88/24/99/1017882499.db2.gz UBVIIXVCYBESQF-MNOVXSKESA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cccnn3)C[C@H]21 ZINC001601783832 1017882549 /nfs/dbraw/zinc/88/25/49/1017882549.db2.gz TZFYIOVTCBXXSF-KUNJHIDRSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2cscn2)C1 ZINC001601783183 1017882559 /nfs/dbraw/zinc/88/25/59/1017882559.db2.gz WFZJMCMLOTVJSJ-NXEZZACHSA-N -1 0 311.363 -0.473 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)c1ccc[nH]1 ZINC001601783107 1017882676 /nfs/dbraw/zinc/88/26/76/1017882676.db2.gz SQWMVSRRABADPH-VHSXEESVSA-N -1 0 309.322 -0.714 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001601783310 1017882731 /nfs/dbraw/zinc/88/27/31/1017882731.db2.gz WULWMXMTRVEMBN-IUCAKERBSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001601783718 1017882838 /nfs/dbraw/zinc/88/28/38/1017882838.db2.gz UBVIIXVCYBESQF-QWRGUYRKSA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2nccs2)C1 ZINC001601781768 1017882857 /nfs/dbraw/zinc/88/28/57/1017882857.db2.gz TUGBVTCKEGSAEY-IUCAKERBSA-N -1 0 311.363 -0.473 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)Cc2cnoc2)C1 ZINC001601783808 1017883318 /nfs/dbraw/zinc/88/33/18/1017883318.db2.gz UHPMXJVXVYRIEV-GHMZBOCLSA-N -1 0 307.306 -0.488 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H]2C(=O)N(CCCn3ccnn3)C(=O)N2C1 ZINC001601797293 1017883637 /nfs/dbraw/zinc/88/36/37/1017883637.db2.gz GLWQNZCBNBVQKA-VHSXEESVSA-N -1 0 307.310 -0.204 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001601785588 1017883687 /nfs/dbraw/zinc/88/36/87/1017883687.db2.gz YTQFRVGRUXMILD-JZRPKSSGSA-N -1 0 304.350 -0.350 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2ccncn2)C1 ZINC001601784323 1017884227 /nfs/dbraw/zinc/88/42/27/1017884227.db2.gz VEWCXJKWJLADQC-VHSXEESVSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)N2C1 ZINC001601798273 1017884349 /nfs/dbraw/zinc/88/43/49/1017884349.db2.gz MMELEBLWWTVRRB-IWSPIJDZSA-N -1 0 316.335 -0.699 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCN1CCN(Cc2cnon2)CC1 ZINC001601784421 1017884462 /nfs/dbraw/zinc/88/44/62/1017884462.db2.gz VYOMLDZEXLKKSY-RYUDHWBXSA-N -1 0 323.353 -0.976 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]2C(=O)N(CC(=O)N3CCCC3)C(=O)N2C1 ZINC001601800746 1017885088 /nfs/dbraw/zinc/88/50/88/1017885088.db2.gz YHWLMWVOZCJZOJ-NXEZZACHSA-N -1 0 309.322 -0.264 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC001601813291 1017885107 /nfs/dbraw/zinc/88/51/07/1017885107.db2.gz XOGOTLMTBLAGML-BJDJZHNGSA-N -1 0 321.395 -0.508 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCN(CCO)CC1 ZINC001601808889 1017885233 /nfs/dbraw/zinc/88/52/33/1017885233.db2.gz PFFLGRKIQPSUPL-NEPJUHHUSA-N -1 0 320.411 -0.431 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@@H](c3ncon3)C2)C1=O ZINC001601816929 1017885462 /nfs/dbraw/zinc/88/54/62/1017885462.db2.gz COFBGCYSEYLDFI-NXEZZACHSA-N -1 0 322.321 -0.291 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)NCCn1cncn1 ZINC001601810628 1017885548 /nfs/dbraw/zinc/88/55/48/1017885548.db2.gz MHNOOSWXDBJMPV-VHSXEESVSA-N -1 0 302.356 -0.159 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C3OCCO3)C2)C1 ZINC001601819777 1017885931 /nfs/dbraw/zinc/88/59/31/1017885931.db2.gz ILQFLEOGDIVFBV-VHSXEESVSA-N -1 0 312.322 -0.859 20 0 DBADRM O=C([O-])C1CCN(C(=O)COC(=O)[C@@H]2COCCO2)CC1 ZINC001601822298 1017886129 /nfs/dbraw/zinc/88/61/29/1017886129.db2.gz FKMGFCZCCMEEPG-JTQLQIEISA-N -1 0 301.295 -0.732 20 0 DBADRM O=C([O-])C1CCN(C(=O)Cn2cc(Cn3cccn3)nn2)CC1 ZINC001601822138 1017886228 /nfs/dbraw/zinc/88/62/28/1017886228.db2.gz WWDISZUYOPZOCX-UHFFFAOYSA-N -1 0 318.337 -0.154 20 0 DBADRM O=C([O-])C1CCN(C(=O)Cn2ccn3c2ccnc3=O)CC1 ZINC001601821729 1017886429 /nfs/dbraw/zinc/88/64/29/1017886429.db2.gz DIKSCUCPVYCVGJ-UHFFFAOYSA-N -1 0 304.306 -0.181 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@@H](O)[C@@H](F)C2)C1=O ZINC001601817833 1017886556 /nfs/dbraw/zinc/88/65/56/1017886556.db2.gz HPBHAZVRUSBNKQ-KXUCPTDWSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N(CCO[C@@H]3CCOC3)C(=O)[C@@H]2C1 ZINC001601838975 1017887183 /nfs/dbraw/zinc/88/71/83/1017887183.db2.gz AVUAKUNNVNEUMO-MXWKQRLJSA-N -1 0 312.322 -0.081 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCCOC(=O)C2CC2)CC1 ZINC001601830253 1017887323 /nfs/dbraw/zinc/88/73/23/1017887323.db2.gz PDAXRPXAQQEREW-UHFFFAOYSA-N -1 0 320.367 -0.429 20 0 DBADRM O=C([O-])[C@@H]1CCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC001601832882 1017887403 /nfs/dbraw/zinc/88/74/03/1017887403.db2.gz ASBHHHNCWCGRQA-VIFPVBQESA-N -1 0 309.322 -0.073 20 0 DBADRM O=C([O-])C1CN(C(=O)CN2CCN(c3ccccn3)CC2)C1 ZINC001601843416 1017888247 /nfs/dbraw/zinc/88/82/47/1017888247.db2.gz UEEAGCBWRBPJBB-UHFFFAOYSA-N -1 0 304.350 -0.253 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2CCN(CC(F)F)C2)CCO1 ZINC001601843990 1017888283 /nfs/dbraw/zinc/88/82/83/1017888283.db2.gz AQDPUIAZSJEINM-RKDXNWHRSA-N -1 0 307.297 -0.179 20 0 DBADRM O=C([O-])[C@H]1CCN2C(=O)N(CCN3CCNC3=O)C(=O)[C@H]2C1 ZINC001601843241 1017888396 /nfs/dbraw/zinc/88/83/96/1017888396.db2.gz RGBRKCDHICSJBC-DTWKUNHWSA-N -1 0 310.310 -0.861 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCC2(O)CCOCC2)CCO1 ZINC001601844992 1017888733 /nfs/dbraw/zinc/88/87/33/1017888733.db2.gz FEDHQEHKCRYBAV-JTQLQIEISA-N -1 0 302.327 -0.587 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2CCCOC(F)F)CCO1 ZINC001601848877 1017888804 /nfs/dbraw/zinc/88/88/04/1017888804.db2.gz BWSMJWSUXIMZKD-SSDOTTSWSA-N -1 0 307.257 -0.408 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCOC23CCOCC3)CCO1 ZINC001601844243 1017888823 /nfs/dbraw/zinc/88/88/23/1017888823.db2.gz ROFJVQDJBLDHRM-QWRGUYRKSA-N -1 0 314.338 -0.181 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1cncc(O)c1 ZINC001601854079 1017889375 /nfs/dbraw/zinc/88/93/75/1017889375.db2.gz NPSJSXFZUFDORL-JTQLQIEISA-N -1 0 314.319 -0.960 20 0 DBADRM O=C([O-])[C@@H]1COCCN1CCn1cnc(Br)n1 ZINC001601852801 1017889714 /nfs/dbraw/zinc/88/97/14/1017889714.db2.gz DFGLQSGWZZBGND-ZETCQYMHSA-N -1 0 305.132 -0.174 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ocnc1C1CC1 ZINC001601854367 1017890498 /nfs/dbraw/zinc/89/04/98/1017890498.db2.gz DTAWOHOEKPLDFF-MRVPVSSYSA-N -1 0 314.319 -0.124 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1nnc(C2CC2)o1 ZINC001601854317 1017890512 /nfs/dbraw/zinc/89/05/12/1017890512.db2.gz BLMDPWKEKBRGGM-MRVPVSSYSA-N -1 0 301.324 -0.369 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)c2nc3n(n2)CCCN3)C1 ZINC001601856431 1017890639 /nfs/dbraw/zinc/89/06/39/1017890639.db2.gz OBEQKEFFQDYTCE-MRVPVSSYSA-N -1 0 311.367 -0.759 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)C(=O)N2CCOCC2)C1 ZINC001601854567 1017890665 /nfs/dbraw/zinc/89/06/65/1017890665.db2.gz PJHSRXNTXSVKMN-SECBINFHSA-N -1 0 302.352 -0.879 20 0 DBADRM O=C([O-])/C=C\c1ccc(C(=O)NC[C@@H](O)Cn2ccnn2)o1 ZINC001601877202 1017890840 /nfs/dbraw/zinc/89/08/40/1017890840.db2.gz WIUTURMESCDFQL-FIFYQCSRSA-N -1 0 306.278 -0.240 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)C(=O)N1CCC[C@@H](CO)C1)C1CC1 ZINC001601891415 1017891476 /nfs/dbraw/zinc/89/14/76/1017891476.db2.gz KKNOKSMSHTYGNQ-ZYHUDNBSSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1cccc2c1COC2=O ZINC001601908105 1017891505 /nfs/dbraw/zinc/89/15/05/1017891505.db2.gz AEZBJDMJBAXSKT-SSDOTTSWSA-N -1 0 322.273 -0.753 20 0 DBADRM O=C([O-])C[C@@H](NS(=O)(=O)CCCN1CCOCC1)C1CC1 ZINC001601908417 1017891590 /nfs/dbraw/zinc/89/15/90/1017891590.db2.gz FRDSOAMNMQICSL-GFCCVEGCSA-N -1 0 320.411 -0.119 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)c1cc(N2CCOCC2)ccn1 ZINC001601910347 1017891898 /nfs/dbraw/zinc/89/18/98/1017891898.db2.gz JZDQBOQCQTUWMV-LLVKDONJSA-N -1 0 309.322 -0.516 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)N1CCc2cc(F)ccc21 ZINC001601908941 1017891979 /nfs/dbraw/zinc/89/19/79/1017891979.db2.gz MSGANUFMRIKDQR-JTQLQIEISA-N -1 0 310.281 -0.333 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)CNC(=O)c1ccc(F)cc1F ZINC001601910875 1017891996 /nfs/dbraw/zinc/89/19/96/1017891996.db2.gz UABSLZMBDGXRJZ-MRVPVSSYSA-N -1 0 316.260 -0.354 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001601909121 1017892086 /nfs/dbraw/zinc/89/20/86/1017892086.db2.gz AFRNDMQIIMOKIQ-CHWSQXEVSA-N -1 0 320.345 -0.013 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)c1cnc(C2OCCO2)s1 ZINC001601913085 1017892115 /nfs/dbraw/zinc/89/21/15/1017892115.db2.gz USZLWXJMYNJQRQ-ZCFIWIBFSA-N -1 0 302.308 -0.246 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC001601910121 1017892458 /nfs/dbraw/zinc/89/24/58/1017892458.db2.gz JYAJIINRQRQQIR-SECBINFHSA-N -1 0 320.301 -0.376 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Nc1ccc(-n2nccn2)nc1 ZINC001601911575 1017892508 /nfs/dbraw/zinc/89/25/08/1017892508.db2.gz HHSLRTXNQFQHCK-VIFPVBQESA-N -1 0 306.282 -0.381 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)c1ccc(Cn2ccnn2)cc1 ZINC001601911668 1017892626 /nfs/dbraw/zinc/89/26/26/1017892626.db2.gz WQQSRBYRGBTSLU-LBPRGKRZSA-N -1 0 304.306 -0.108 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)CCn1cc(Br)cn1 ZINC001601911187 1017892662 /nfs/dbraw/zinc/89/26/62/1017892662.db2.gz WLGNRKHJBMBRTM-MRVPVSSYSA-N -1 0 320.143 -0.013 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)[C@H]1COCCN1CC(F)(F)F ZINC001601910887 1017892909 /nfs/dbraw/zinc/89/29/09/1017892909.db2.gz UKXGXMDGAORTJO-HTQZYQBOSA-N -1 0 314.260 -0.799 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001601909124 1017892917 /nfs/dbraw/zinc/89/29/17/1017892917.db2.gz AFRNDMQIIMOKIQ-STQMWFEESA-N -1 0 320.345 -0.013 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)[C@H]2CCc3nncn3C2)CCCOC1 ZINC001601926351 1017893211 /nfs/dbraw/zinc/89/32/11/1017893211.db2.gz LGZFXYHWXDHBJN-IINYFYTJSA-N -1 0 308.338 -0.019 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)[C@@H]2CCc3nncn3C2)CCCOC1 ZINC001601926352 1017893396 /nfs/dbraw/zinc/89/33/96/1017893396.db2.gz LGZFXYHWXDHBJN-QMTHXVAHSA-N -1 0 308.338 -0.019 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC001601920882 1017893756 /nfs/dbraw/zinc/89/37/56/1017893756.db2.gz HXRTYLXEIUXHAX-CYBMUJFWSA-N -1 0 316.379 -0.217 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N[C@@H]2CCNC(=O)CC2)CC1 ZINC001601922349 1017893836 /nfs/dbraw/zinc/89/38/36/1017893836.db2.gz SLAZJADQCHSLML-VIFPVBQESA-N -1 0 304.368 -0.171 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC001601930172 1017894131 /nfs/dbraw/zinc/89/41/31/1017894131.db2.gz FOSFQSCWSCQCFG-NEPJUHHUSA-N -1 0 312.366 -0.010 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)CNC(=O)c2cccnc2)CCOC1 ZINC001601927162 1017894181 /nfs/dbraw/zinc/89/41/81/1017894181.db2.gz WZTFRWKZOLSJPM-CQSZACIVSA-N -1 0 307.306 -0.439 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)CN2CCC(CO)CC2)CCCOC1 ZINC001601926983 1017894427 /nfs/dbraw/zinc/89/44/27/1017894427.db2.gz MOKAQWHPCYKJRZ-HNNXBMFYSA-N -1 0 314.382 -0.169 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCc2cncn2C1 ZINC001601938567 1017894699 /nfs/dbraw/zinc/89/46/99/1017894699.db2.gz AMPGGYORMSBWSY-KOLCDFICSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)COCc1cccnc1 ZINC001601939655 1017894947 /nfs/dbraw/zinc/89/49/47/1017894947.db2.gz PZJRDLQCVCTSQL-NSHDSACASA-N -1 0 307.306 -0.600 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccnn1CC(F)F ZINC001601939318 1017895099 /nfs/dbraw/zinc/89/50/99/1017895099.db2.gz CCZOQGVLONOVRK-QMMMGPOBSA-N -1 0 316.264 -0.437 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1ccc2c(c1)NC(=O)CO2 ZINC001601939922 1017895232 /nfs/dbraw/zinc/89/52/32/1017895232.db2.gz PYOSYCLRNGMNLS-LLVKDONJSA-N -1 0 319.317 -0.207 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cn1cc(Cl)cn1 ZINC001601938681 1017895248 /nfs/dbraw/zinc/89/52/48/1017895248.db2.gz DMLQHOZMHBKNJI-QMMMGPOBSA-N -1 0 300.702 -0.662 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cc1ccc2n[nH]cc2c1 ZINC001601938624 1017895443 /nfs/dbraw/zinc/89/54/43/1017895443.db2.gz CDXFDKLMFSRQRL-GFCCVEGCSA-N -1 0 316.317 -0.093 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001601950196 1017895807 /nfs/dbraw/zinc/89/58/07/1017895807.db2.gz KGPKEQMCPHCKEN-SNVBAGLBSA-N -1 0 308.338 -0.153 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1n[nH]c2c1CCCC2 ZINC001601940859 1017895917 /nfs/dbraw/zinc/89/59/17/1017895917.db2.gz JXQPHNHWZQPPRR-JTQLQIEISA-N -1 0 306.322 -0.296 20 0 DBADRM O=C([O-])CC1CC(NC(=O)NC[C@@]2(OCCO)CCOC2)C1 ZINC001601944002 1017896050 /nfs/dbraw/zinc/89/60/50/1017896050.db2.gz OJYHKJQOFXQMJR-MGULZYLOSA-N -1 0 316.354 -0.293 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cnn2c1CCCC2 ZINC001601942201 1017896250 /nfs/dbraw/zinc/89/62/50/1017896250.db2.gz PCPSQDYZIOSBAC-LLVKDONJSA-N -1 0 306.322 -0.365 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cc2n(n1)CCCO2 ZINC001601942215 1017896358 /nfs/dbraw/zinc/89/63/58/1017896358.db2.gz PNHYDIWPDWHNAD-SECBINFHSA-N -1 0 308.294 -0.919 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)C1 ZINC001601942860 1017896506 /nfs/dbraw/zinc/89/65/06/1017896506.db2.gz WXGDTBWTDNSTLY-WOIJYAAFSA-N -1 0 314.363 -0.912 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cc1ccc2c(c1)OCO2 ZINC001601940734 1017896518 /nfs/dbraw/zinc/89/65/18/1017896518.db2.gz VIIQCTSMBOBSMF-JTQLQIEISA-N -1 0 320.301 -0.241 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2C3CCC2(CO)CC3)C1 ZINC001601941585 1017896610 /nfs/dbraw/zinc/89/66/10/1017896610.db2.gz URMBSXOQNSQSNN-UHFFFAOYSA-N -1 0 310.350 -0.128 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cccc2c1OCO2 ZINC001601941686 1017896620 /nfs/dbraw/zinc/89/66/20/1017896620.db2.gz NFRQFGAKTKENRS-SECBINFHSA-N -1 0 306.274 -0.169 20 0 DBADRM O=C([O-])CC1CC(NC(=O)N(CCO)CCOCCO)C1 ZINC001601940873 1017896699 /nfs/dbraw/zinc/89/66/99/1017896699.db2.gz LIPYOGGDOKBJPV-UHFFFAOYSA-N -1 0 304.343 -0.748 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)C1CCC(=O)CC1 ZINC001601941399 1017896848 /nfs/dbraw/zinc/89/68/48/1017896848.db2.gz RCPGVQBKRKUCDY-JTQLQIEISA-N -1 0 318.351 -0.897 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCn2ccnc2C1 ZINC001601951839 1017897101 /nfs/dbraw/zinc/89/71/01/1017897101.db2.gz LILONCWZPPLEIH-QWRGUYRKSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])CC1CCN(C(=O)C2=NN(CCO)C(=O)CC2)CC1 ZINC001601954417 1017897193 /nfs/dbraw/zinc/89/71/93/1017897193.db2.gz AUWUMMNGIPPINF-UHFFFAOYSA-N -1 0 311.338 -0.330 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)NCCO[C@@H]1CCOC1 ZINC001601951777 1017897472 /nfs/dbraw/zinc/89/74/72/1017897472.db2.gz JYQPLUNNEFIKOG-GHMZBOCLSA-N -1 0 314.338 -0.626 20 0 DBADRM O=C([O-])CC1CCN(C(=O)C(=O)NCCn2ccnc2)CC1 ZINC001601954736 1017897588 /nfs/dbraw/zinc/89/75/88/1017897588.db2.gz ULIDZHVFSMVXBV-UHFFFAOYSA-N -1 0 308.338 -0.287 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCc2ccncc2)CCO1 ZINC001601957997 1017897865 /nfs/dbraw/zinc/89/78/65/1017897865.db2.gz MJAASFNMVZFHQX-LLVKDONJSA-N -1 0 307.306 -0.600 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](F)C2)CCO1 ZINC001601958233 1017897954 /nfs/dbraw/zinc/89/79/54/1017897954.db2.gz MTIABMBKZNTDTR-NXEZZACHSA-N -1 0 302.302 -0.351 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)CCO1 ZINC001601959360 1017898180 /nfs/dbraw/zinc/89/81/80/1017898180.db2.gz GUKKUMXTMXZRNM-KKOKHZNYSA-N -1 0 314.338 -0.325 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)N[C@H]2CCc3nnnn3CC2)CCO1 ZINC001601960757 1017898211 /nfs/dbraw/zinc/89/82/11/1017898211.db2.gz XFYFBPFEWUDKMP-VHSXEESVSA-N -1 0 324.341 -0.737 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NCCO[C@H]2CCOC2)CCO1 ZINC001601960340 1017898537 /nfs/dbraw/zinc/89/85/37/1017898537.db2.gz RLAKQXUSYOMKEZ-QWRGUYRKSA-N -1 0 302.327 -0.323 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1Cc1cnn(CCF)c1 ZINC001601968207 1017899116 /nfs/dbraw/zinc/89/91/16/1017899116.db2.gz LVGDVMYBQHIASG-NSHDSACASA-N -1 0 319.358 -0.074 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCCOCC1 ZINC001601965224 1017899211 /nfs/dbraw/zinc/89/92/11/1017899211.db2.gz LMJGCSWQBFSNEN-QWRGUYRKSA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1Cn1cc[nH]c1=S ZINC001601966702 1017899415 /nfs/dbraw/zinc/89/94/15/1017899415.db2.gz BAYIAFMRHJOJKQ-QMMMGPOBSA-N -1 0 305.381 -0.297 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC001601969195 1017901291 /nfs/dbraw/zinc/90/12/91/1017901291.db2.gz YDCNMGMBVILIFJ-MXWKQRLJSA-N -1 0 316.379 -0.472 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1CC1(O)CCOCC1 ZINC001601968947 1017901366 /nfs/dbraw/zinc/90/13/66/1017901366.db2.gz WWFOJINKQDUPFX-SNVBAGLBSA-N -1 0 307.368 -0.898 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CC(N2CCCC2=O)C1 ZINC001601987657 1017902062 /nfs/dbraw/zinc/90/20/62/1017902062.db2.gz HPBDARHANOKDNJ-UHFFFAOYSA-N -1 0 311.338 -0.809 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC001601991129 1017902394 /nfs/dbraw/zinc/90/23/94/1017902394.db2.gz DVIJUCPSDMFUPM-SNVBAGLBSA-N -1 0 314.338 -0.421 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001601987812 1017902448 /nfs/dbraw/zinc/90/24/48/1017902448.db2.gz XUEJGDMFMPKYGS-SNVBAGLBSA-N -1 0 308.338 -0.246 20 0 DBADRM O=C([O-])CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001601975667 1017903762 /nfs/dbraw/zinc/90/37/62/1017903762.db2.gz PLBWRSKLZBZEJH-DCQANWLSSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC001601999143 1017904661 /nfs/dbraw/zinc/90/46/61/1017904661.db2.gz YNZHHEWCBNUAEH-JTQLQIEISA-N -1 0 305.352 -0.139 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N[C@H]1C(=O)NCC12CCOCC2 ZINC001601999607 1017904890 /nfs/dbraw/zinc/90/48/90/1017904890.db2.gz RHQYBXDRQMIQRD-JTQLQIEISA-N -1 0 320.367 -0.934 20 0 DBADRM O=C([O-])CCCNC(=O)N1CCS(=O)(=O)C[C@@H]1CCO ZINC001601991459 1017905999 /nfs/dbraw/zinc/90/59/99/1017905999.db2.gz HLOCDCVXMVPWBJ-VIFPVBQESA-N -1 0 308.356 -0.958 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC001601998803 1017906447 /nfs/dbraw/zinc/90/64/47/1017906447.db2.gz HGBKRPSZODSYKD-RYUDHWBXSA-N -1 0 320.411 -0.288 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N[C@]12CC(=O)N[C@H]1CCCC2 ZINC001602001593 1017906523 /nfs/dbraw/zinc/90/65/23/1017906523.db2.gz AIGBOXNCHMRIOB-JOYOIKCWSA-N -1 0 304.368 -0.028 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC001601998856 1017907133 /nfs/dbraw/zinc/90/71/33/1017907133.db2.gz KQOIRXLSOWQBEA-VIFPVBQESA-N -1 0 306.340 -0.293 20 0 DBADRM O=C([O-])CCN(Cc1ccncc1)C(=O)C[C@H]1CC(=O)NC1=O ZINC001602008718 1017908407 /nfs/dbraw/zinc/90/84/07/1017908407.db2.gz ZZBRNBMIXJNUSN-LLVKDONJSA-N -1 0 319.317 -0.062 20 0 DBADRM O=C([O-])CCN1CC[C@@H](n2cc(C[C@@H](O)C3CC3)nn2)C1=O ZINC001602011824 1017908571 /nfs/dbraw/zinc/90/85/71/1017908571.db2.gz CKCBHZTUODQGLJ-VXGBXAGGSA-N -1 0 308.338 -0.160 20 0 DBADRM O=C([O-])CC[N@H+](C[C@H]1CCCO1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001602006208 1017909432 /nfs/dbraw/zinc/90/94/32/1017909432.db2.gz LXTURYIUPCVOQH-GHMZBOCLSA-N -1 0 314.338 -0.372 20 0 DBADRM O=C([O-])CCN1CC[C@H](n2cc(C[C@@H](O)C3CC3)nn2)C1=O ZINC001602011822 1017910676 /nfs/dbraw/zinc/91/06/76/1017910676.db2.gz CKCBHZTUODQGLJ-NWDGAFQWSA-N -1 0 308.338 -0.160 20 0 DBADRM O=C([O-])CCN1CCC[C@H](N2CCN(c3nc[nH]n3)CC2)C1=O ZINC001602010744 1017911471 /nfs/dbraw/zinc/91/14/71/1017911471.db2.gz GHBQVNDLWAIFDI-NSHDSACASA-N -1 0 322.369 -0.608 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](N2CCN3C(=O)N=NC3C2)C1=O ZINC001602011761 1017912400 /nfs/dbraw/zinc/91/24/00/1017912400.db2.gz MZOAYKAATOTRBT-SECBINFHSA-N -1 0 309.326 -0.735 20 0 DBADRM O=C([O-])CCN1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1 ZINC001602014559 1017913521 /nfs/dbraw/zinc/91/35/21/1017913521.db2.gz ZGADFINSRAMKIV-LBPRGKRZSA-N -1 0 320.411 -0.022 20 0 DBADRM O=C([O-])CCNC(=O)CCN1C(=O)N[C@H](c2cccnc2)C1=O ZINC001602015650 1017913814 /nfs/dbraw/zinc/91/38/14/1017913814.db2.gz DLPAIRIVLKLEGF-GFCCVEGCSA-N -1 0 320.305 -0.345 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001602016488 1017914354 /nfs/dbraw/zinc/91/43/54/1017914354.db2.gz KDWSHMHYEBJOMN-SECBINFHSA-N -1 0 308.338 -0.073 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)/C=C\c1cncc(O)c1 ZINC001602017038 1017914492 /nfs/dbraw/zinc/91/44/92/1017914492.db2.gz UKUGFILHBDEDIR-UPHRSURJSA-N -1 0 307.306 -0.102 20 0 DBADRM O=C([O-])CCNC(=O)CCN1C(=O)[C@@H]2CSCN2C1=O ZINC001602016089 1017915438 /nfs/dbraw/zinc/91/54/38/1017915438.db2.gz WULHPPYACMRUTE-ZETCQYMHSA-N -1 0 301.324 -0.696 20 0 DBADRM CC[C@H](CNC(=O)[C@@H]1CC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001499017207 1017917174 /nfs/dbraw/zinc/91/71/74/1017917174.db2.gz RAAVHNSQWDYRRO-SFYZADRCSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C([O-])CCNC(=O)CCN1C(=O)[C@@H]2CC(F)(F)CN2C1=O ZINC001602016037 1017917278 /nfs/dbraw/zinc/91/72/78/1017917278.db2.gz OPGYMUCPSPERCW-ZETCQYMHSA-N -1 0 319.264 -0.361 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC2(C1)CCOCC2 ZINC001602018379 1017918383 /nfs/dbraw/zinc/91/83/83/1017918383.db2.gz UVJOVWCFEPXZAR-UHFFFAOYSA-N -1 0 313.354 -0.211 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001602018261 1017919717 /nfs/dbraw/zinc/91/97/17/1017919717.db2.gz LHVRCPQHZVQVGM-UHFFFAOYSA-N -1 0 320.305 -0.021 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001602019133 1017920198 /nfs/dbraw/zinc/92/01/98/1017920198.db2.gz JGIJSBWBAFIYAJ-SNVBAGLBSA-N -1 0 323.353 -0.453 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cc(F)cc2n[nH]nc21 ZINC001602018827 1017920480 /nfs/dbraw/zinc/92/04/80/1017920480.db2.gz XANBTMOSLMMKLB-UHFFFAOYSA-N -1 0 323.284 -0.192 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)COCc1ccccn1 ZINC001602017576 1017920765 /nfs/dbraw/zinc/92/07/65/1017920765.db2.gz AZQRDJWZQMNXHZ-UHFFFAOYSA-N -1 0 309.322 -0.305 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cnc2n[nH]nc2c1 ZINC001602018857 1017920879 /nfs/dbraw/zinc/92/08/79/1017920879.db2.gz XYQPQPOQLBGAPQ-UHFFFAOYSA-N -1 0 306.282 -0.936 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NOC[C@@H]1CCOC1 ZINC001602020896 1017921830 /nfs/dbraw/zinc/92/18/30/1017921830.db2.gz UOYNWSUVDOULJP-SECBINFHSA-N -1 0 303.315 -0.765 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1nccn2ccnc12 ZINC001602019783 1017922704 /nfs/dbraw/zinc/92/27/04/1017922704.db2.gz NMRRGCHXXZFSAM-UHFFFAOYSA-N -1 0 305.294 -0.560 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCC(N2CCCOC2=O)CC1 ZINC001602022008 1017923411 /nfs/dbraw/zinc/92/34/11/1017923411.db2.gz OULZWTFZQFSQJV-UHFFFAOYSA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCOC[C@H]1C[C@@H]1CCOC1 ZINC001602022516 1017923625 /nfs/dbraw/zinc/92/36/25/1017923625.db2.gz ZLMXHQXLQXFYDA-NWDGAFQWSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCOC[C@H]1C[C@H]1CCCO1 ZINC001602022530 1017924328 /nfs/dbraw/zinc/92/43/28/1017924328.db2.gz ZXZJCDMMKZYZNS-VXGBXAGGSA-N -1 0 300.355 -0.153 20 0 DBADRM O=C([O-])CCc1nc(COC(=O)CN2CCCNC2=O)no1 ZINC001602047877 1017926074 /nfs/dbraw/zinc/92/60/74/1017926074.db2.gz IQNYXFOQVKPSTD-UHFFFAOYSA-N -1 0 312.282 -0.455 20 0 DBADRM O=C([O-])CCc1csc(NC(=O)N2C[C@H](O)[C@H](CO)C2)n1 ZINC001602045907 1017926376 /nfs/dbraw/zinc/92/63/76/1017926376.db2.gz AFTRFSHSBZVTTJ-CBAPKCEASA-N -1 0 315.351 -0.023 20 0 DBADRM O=C([O-])CCc1csc(NC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001602046002 1017928062 /nfs/dbraw/zinc/92/80/62/1017928062.db2.gz POMUFSFTTMOBSZ-ZETCQYMHSA-N -1 0 319.364 -0.210 20 0 DBADRM O=C([O-])CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C1CCOCC1 ZINC001602050315 1017928413 /nfs/dbraw/zinc/92/84/13/1017928413.db2.gz RKLHWPCHLAIKEB-VIFPVBQESA-N -1 0 313.310 -0.933 20 0 DBADRM O=C([O-])CCc1csc(NC(=O)NCC(=O)NCCO)n1 ZINC001602046359 1017929104 /nfs/dbraw/zinc/92/91/04/1017929104.db2.gz IEPHNHLDDQFFPK-UHFFFAOYSA-N -1 0 316.339 -0.610 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001602054770 1017930260 /nfs/dbraw/zinc/93/02/60/1017930260.db2.gz YWOMIAZZEJFHPX-UPJWGTAASA-N -1 0 312.366 -0.201 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001602054878 1017930864 /nfs/dbraw/zinc/93/08/64/1017930864.db2.gz KCVFMBILLLXPPL-SWLSCSKDSA-N -1 0 312.366 -0.342 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)Cc1ncnn1CCF ZINC001602055053 1017931125 /nfs/dbraw/zinc/93/11/25/1017931125.db2.gz DLZKKUUDDVKWDK-UHFFFAOYSA-N -1 0 315.349 -0.534 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001602054612 1017932919 /nfs/dbraw/zinc/93/29/19/1017932919.db2.gz GSFGJLBAEIWGSW-MRVWCRGKSA-N -1 0 312.366 -0.343 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CCC1(O)CCC1 ZINC001602054900 1017933199 /nfs/dbraw/zinc/93/31/99/1017933199.db2.gz NADCAYAFDVVIQV-UHFFFAOYSA-N -1 0 314.382 -0.073 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)Cc1cn(CC2CC2)nn1 ZINC001602055214 1017933315 /nfs/dbraw/zinc/93/33/15/1017933315.db2.gz IGHOALFEMWSYTB-UHFFFAOYSA-N -1 0 323.397 -0.093 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@H](CCCO)c1ccccc1 ZINC001602065955 1017934843 /nfs/dbraw/zinc/93/48/43/1017934843.db2.gz MFELWULVBWPZKA-GFCCVEGCSA-N -1 0 308.334 -0.140 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)/C=C\Cn1cncn1 ZINC001602064277 1017935166 /nfs/dbraw/zinc/93/51/66/1017935166.db2.gz NPIJUOGOYRDBGA-WUWIAWFRSA-N -1 0 307.310 -0.974 20 0 DBADRM O=C([O-])CNC(=O)CN1CCn2ncc(Br)c2C1 ZINC001602065916 1017936327 /nfs/dbraw/zinc/93/63/27/1017936327.db2.gz KXCFRGOYPUXJPN-UHFFFAOYSA-N -1 0 317.143 -0.338 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc(-n2cccc2)ccn1 ZINC001602069406 1017938747 /nfs/dbraw/zinc/93/87/47/1017938747.db2.gz DZYIDZQXBKLUDY-UHFFFAOYSA-N -1 0 302.290 -0.197 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)/C=C\COC1CCOCC1 ZINC001602069303 1017939955 /nfs/dbraw/zinc/93/99/55/1017939955.db2.gz XTVGONIANLSGEM-UPHRSURJSA-N -1 0 300.311 -0.945 20 0 DBADRM O=C([O-])CNC(=O)CN1CCc2c(nnn2-c2ccccc2)C1 ZINC001602066495 1017941150 /nfs/dbraw/zinc/94/11/50/1017941150.db2.gz RQAFHBFAHUKCDZ-UHFFFAOYSA-N -1 0 315.333 -0.174 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)c2c(cccc2F)S1(=O)=O ZINC001602067705 1017941457 /nfs/dbraw/zinc/94/14/57/1017941457.db2.gz BZOMPESRONYPJN-UHFFFAOYSA-N -1 0 316.266 -0.829 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C[C@@H]1CCS(=O)(=O)C1 ZINC001602067733 1017941945 /nfs/dbraw/zinc/94/19/45/1017941945.db2.gz KLRCFBQCQTWCIJ-VHSXEESVSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC001602069502 1017944974 /nfs/dbraw/zinc/94/49/74/1017944974.db2.gz KZXUZWIFDLLQEK-UHFFFAOYSA-N -1 0 322.321 -0.819 20 0 DBADRM O=C([O-])CNC(=O)CNc1ccc2nnc(C(F)F)n2n1 ZINC001602070923 1017945257 /nfs/dbraw/zinc/94/52/57/1017945257.db2.gz OXBGJRRJTLFRAO-UHFFFAOYSA-N -1 0 300.225 -0.325 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)N[C@H]2CCNC2=O)cc1 ZINC001602074311 1017945829 /nfs/dbraw/zinc/94/58/29/1017945829.db2.gz DIBCWZSINHGYNH-JTQLQIEISA-N -1 0 320.305 -0.489 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)Cc2nnc[nH]2)cc1 ZINC001602073587 1017946007 /nfs/dbraw/zinc/94/60/07/1017946007.db2.gz QXQPWMFRUPFBQP-UHFFFAOYSA-N -1 0 303.278 -0.200 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cnc([C@H]2CCCO2)s1 ZINC001602069851 1017946353 /nfs/dbraw/zinc/94/63/53/1017946353.db2.gz IYEPOHVOUOGMCS-SSDOTTSWSA-N -1 0 313.335 -0.075 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CCS(=O)(=O)C1CCCC1 ZINC001602070652 1017946383 /nfs/dbraw/zinc/94/63/83/1017946383.db2.gz QVBAZVZCCOHYSS-UHFFFAOYSA-N -1 0 321.351 -0.522 20 0 DBADRM O=C([O-])COCC(=O)N1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC001602076839 1017947615 /nfs/dbraw/zinc/94/76/15/1017947615.db2.gz XDYVPURJKSSDGJ-VIFPVBQESA-N -1 0 311.294 -0.052 20 0 DBADRM O=C([O-])COCC(=O)NCCCNC(=O)c1cccc(O)c1 ZINC001602077123 1017947681 /nfs/dbraw/zinc/94/76/81/1017947681.db2.gz QBCRELNDJBPAEK-UHFFFAOYSA-N -1 0 310.306 -0.271 20 0 DBADRM O=C([O-])COCCNC(=O)CC[C@H]1CC[C@@H](C2OCCO2)O1 ZINC001602078776 1017948232 /nfs/dbraw/zinc/94/82/32/1017948232.db2.gz OSQKIXNIUNVILZ-MNOVXSKESA-N -1 0 317.338 -0.096 20 0 DBADRM O=C([O-])COCCNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001602077970 1017948958 /nfs/dbraw/zinc/94/89/58/1017948958.db2.gz PAUPCACBGWRNRA-NEPJUHHUSA-N -1 0 323.305 -0.825 20 0 DBADRM O=C([O-])COCC(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001602076364 1017949692 /nfs/dbraw/zinc/94/96/92/1017949692.db2.gz WLRQUYOBBLATEC-SSDOTTSWSA-N -1 0 312.244 -0.385 20 0 DBADRM O=C([O-])COCC(=O)N1CCN(CCc2cnccn2)CC1 ZINC001602076643 1017950669 /nfs/dbraw/zinc/95/06/69/1017950669.db2.gz AKFYUAGSJGQUNU-UHFFFAOYSA-N -1 0 308.338 -0.736 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCOC[C@@H]1C[C@H]1CCOC1 ZINC001602079819 1017951410 /nfs/dbraw/zinc/95/14/10/1017951410.db2.gz UKNKCOZIKHNFDR-NEPJUHHUSA-N -1 0 316.354 -0.075 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1 ZINC001602085316 1017952026 /nfs/dbraw/zinc/95/20/26/1017952026.db2.gz ISXSYQZPCVMKGF-YRGRVCCFSA-N -1 0 323.301 -0.499 20 0 DBADRM O=C([O-])COCCNC(=O)NC[C@@H]1CC2(CO1)CCOCC2 ZINC001602079773 1017953734 /nfs/dbraw/zinc/95/37/34/1017953734.db2.gz RERKJFJNJVPBAU-NSHDSACASA-N -1 0 316.354 -0.028 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)C2)c1 ZINC001602093380 1017954558 /nfs/dbraw/zinc/95/45/58/1017954558.db2.gz JKCAGJZTZPIBRB-JGZJWPJOSA-N -1 0 322.317 -0.024 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)N2C[C@H]3C[C@@]3(O)C2)cc1F ZINC001602121249 1017955399 /nfs/dbraw/zinc/95/53/99/1017955399.db2.gz YAZGKISKPJWRNJ-RFAUZJTJSA-N -1 0 322.292 -0.016 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC(=O)N2)cc1 ZINC001602121719 1017956448 /nfs/dbraw/zinc/95/64/48/1017956448.db2.gz NHNYIDFSFNLNCY-NSHDSACASA-N -1 0 319.317 -0.353 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N[C@@H]2CNC(=O)C2)cc1F ZINC001602133566 1017957779 /nfs/dbraw/zinc/95/77/79/1017957779.db2.gz KHZKJSFWHVTCTH-QMMMGPOBSA-N -1 0 316.310 -0.380 20 0 DBADRM O=C([O-])CSCCC(=O)N[C@@H](CO)CN1CCOCC1 ZINC001602100680 1017958048 /nfs/dbraw/zinc/95/80/48/1017958048.db2.gz FVGDVZVPGOFSQP-SNVBAGLBSA-N -1 0 306.384 -0.996 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)NC[C@H]2COCCN2)cc1 ZINC001602134048 1017958485 /nfs/dbraw/zinc/95/84/85/1017958485.db2.gz YRUHDAROGHRDMQ-NSHDSACASA-N -1 0 314.363 -0.420 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c1 ZINC001602141963 1017959669 /nfs/dbraw/zinc/95/96/69/1017959669.db2.gz DOQCVELUDMKHST-QWRGUYRKSA-N -1 0 301.320 -0.960 20 0 DBADRM O=C([O-])Cc1sccc1C(=O)NC[C@H](O)Cn1ccnn1 ZINC001602156841 1017960155 /nfs/dbraw/zinc/96/01/55/1017960155.db2.gz BFGZCFYBHPMPAZ-QMMMGPOBSA-N -1 0 310.335 -0.242 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC(=O)N2)c1 ZINC001602136299 1017960525 /nfs/dbraw/zinc/96/05/25/1017960525.db2.gz BUOGISKXUCNMQG-NSHDSACASA-N -1 0 319.317 -0.353 20 0 DBADRM O=C([O-])Cc1occc1C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001602155687 1017961673 /nfs/dbraw/zinc/96/16/73/1017961673.db2.gz QUIHVGVMHDWESH-LBPRGKRZSA-N -1 0 317.319 -0.814 20 0 DBADRM O=C([O-])Cc1occc1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001602156699 1017961817 /nfs/dbraw/zinc/96/18/17/1017961817.db2.gz KGSHXJDMSVJTHI-MRVPVSSYSA-N -1 0 307.262 -0.717 20 0 DBADRM O=C([O-])Cn1cc(CCn2nnnc2Cc2ccccn2)nn1 ZINC001602161291 1017963377 /nfs/dbraw/zinc/96/33/77/1017963377.db2.gz VLIZGLXXVATUKQ-UHFFFAOYSA-N -1 0 314.309 -0.422 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@H](O)[C@@H](F)C2)cn1 ZINC001602163355 1017965352 /nfs/dbraw/zinc/96/53/52/1017965352.db2.gz JNGIQWBYMRBQQD-IUCAKERBSA-N -1 0 307.303 -0.939 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)Cn2cc(Cl)cn2)nn1 ZINC001602160708 1017965731 /nfs/dbraw/zinc/96/57/31/1017965731.db2.gz ONFTVXNQJZSZAK-UHFFFAOYSA-N -1 0 313.701 -0.002 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)CCc2cncnc2)nn1 ZINC001602160356 1017966059 /nfs/dbraw/zinc/96/60/59/1017966059.db2.gz ALGFLYQAJCBBBA-UHFFFAOYSA-N -1 0 305.294 -0.129 20 0 DBADRM O=C([O-])Cn1cc(CCS(=O)(=O)Cc2nccs2)nn1 ZINC001602161495 1017966283 /nfs/dbraw/zinc/96/62/83/1017966283.db2.gz VNAVRCAISNBMNP-UHFFFAOYSA-N -1 0 316.364 -0.023 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C[C@H]2CCCS2(=O)=O)n1 ZINC001602164668 1017968715 /nfs/dbraw/zinc/96/87/15/1017968715.db2.gz QCTWJHQCOJTNQN-MRVPVSSYSA-N -1 0 301.324 -0.127 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC001602169848 1017969594 /nfs/dbraw/zinc/96/95/94/1017969594.db2.gz MSPCKODHODLHKK-MNOVXSKESA-N -1 0 303.334 -0.085 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC001602169472 1017970143 /nfs/dbraw/zinc/97/01/43/1017970143.db2.gz IWTNTTFIEBEZLR-JTQLQIEISA-N -1 0 316.333 -0.048 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCN3C(=O)OC[C@@H]3C2)C1 ZINC001602191534 1017972018 /nfs/dbraw/zinc/97/20/18/1017972018.db2.gz MJOWCPCRCCZMSW-GARJFASQSA-N -1 0 312.322 -0.081 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CC(N3CCOCC3)C2)C1 ZINC001602192550 1017972185 /nfs/dbraw/zinc/97/21/85/1017972185.db2.gz RZIZBIVYGGDTFU-WCQYABFASA-N -1 0 312.366 -0.201 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2n[nH]c(=S)n2c1 ZINC001602192063 1017972710 /nfs/dbraw/zinc/97/27/10/1017972710.db2.gz JMJPIDUSZGRTIG-SFYZADRCSA-N -1 0 308.319 -0.322 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001602192841 1017973010 /nfs/dbraw/zinc/97/30/10/1017973010.db2.gz YMCRNIRCUZDSRY-WYUUTHIRSA-N -1 0 319.379 -0.206 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cnn(C[C@H](O)CO)c2)C[C@H]1C1CC1 ZINC001602186917 1017973168 /nfs/dbraw/zinc/97/31/68/1017973168.db2.gz PLUKGXFIFKVZAY-RWMBFGLXSA-N -1 0 323.349 -0.581 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC001602191997 1017973235 /nfs/dbraw/zinc/97/32/35/1017973235.db2.gz XJCBAPHSSVJCFC-YNEHKIRRSA-N -1 0 312.366 -0.201 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCN(c3cccnn3)CC2)C(=O)O1 ZINC001602188914 1017973531 /nfs/dbraw/zinc/97/35/31/1017973531.db2.gz MLPWWASZHSFVPQ-JTQLQIEISA-N -1 0 307.310 -0.539 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cc2c([nH]c1=O)CCC[C@@H]2O ZINC001602190986 1017973557 /nfs/dbraw/zinc/97/35/57/1017973557.db2.gz VNTOVUHASGOVNN-MKCWBWRRSA-N -1 0 322.317 -0.183 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC001602191996 1017974064 /nfs/dbraw/zinc/97/40/64/1017974064.db2.gz XJCBAPHSSVJCFC-RWMBFGLXSA-N -1 0 312.366 -0.201 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC[C@H](CO)[C@@H]2CCOC2)C1 ZINC001602180758 1017974068 /nfs/dbraw/zinc/97/40/68/1017974068.db2.gz SLZPGWVHZIAFGF-KKOKHZNYSA-N -1 0 321.395 -0.196 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCOCCCO)cn1 ZINC001602399200 1017994267 /nfs/dbraw/zinc/99/42/67/1017994267.db2.gz SSVHUJTZOZJWPI-UHFFFAOYSA-N -1 0 304.324 -0.543 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)NCc3cnc4n3CCOC4)C[C@@H]21 ZINC001602205505 1017976213 /nfs/dbraw/zinc/97/62/13/1017976213.db2.gz PTHVUXUBMRVAEC-IAZYJMLFSA-N -1 0 306.322 -0.115 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CCCS(=O)(=O)CC1 ZINC001602201506 1017976857 /nfs/dbraw/zinc/97/68/57/1017976857.db2.gz MTUXLEOIDLVINB-NXEZZACHSA-N -1 0 320.367 -0.694 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(O)(CO)CC1 ZINC001602201859 1017977175 /nfs/dbraw/zinc/97/71/75/1017977175.db2.gz PBLNVKMBGYTJJI-NXEZZACHSA-N -1 0 302.327 -0.995 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)C[C@@H]21 ZINC001602206816 1017978045 /nfs/dbraw/zinc/97/80/45/1017978045.db2.gz VEGSCEKYVQZHLV-XPORZQOISA-N -1 0 318.333 -0.795 20 0 DBADRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)c1ccc(-n2cnnn2)cn1 ZINC001602211097 1017979126 /nfs/dbraw/zinc/97/91/26/1017979126.db2.gz CJUYJVFOZSHUAY-SECBINFHSA-N -1 0 324.247 -0.008 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)[C@@H]3COCCN3CC(F)F)C[C@@H]21 ZINC001602207523 1017979658 /nfs/dbraw/zinc/97/96/58/1017979658.db2.gz ZWSFZIHZSOPQOB-QCBRBAQYSA-N -1 0 304.293 -0.259 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC001602222095 1017981123 /nfs/dbraw/zinc/98/11/23/1017981123.db2.gz XHAUVIQGIDWBSS-GARJFASQSA-N -1 0 304.368 -0.804 20 0 DBADRM O=C([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1COC[C@@H]1O ZINC001602230111 1017981281 /nfs/dbraw/zinc/98/12/81/1017981281.db2.gz BGNHWAIRHLNEEN-SFYZADRCSA-N -1 0 305.283 -0.438 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@H](CO)[C@@H](O)c2ccccn2)on1 ZINC001602245334 1017981887 /nfs/dbraw/zinc/98/18/87/1017981887.db2.gz NTUIXGLATBSUHQ-KOLCDFICSA-N -1 0 307.262 -0.408 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@@]23COC(=O)N2CCOC3)on1 ZINC001602246678 1017983290 /nfs/dbraw/zinc/98/32/90/1017983290.db2.gz MRSZKKJNNNRJSF-GFCCVEGCSA-N -1 0 311.250 -0.676 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN3C(=O)OC[C@@H]3C2)on1 ZINC001602290460 1017983997 /nfs/dbraw/zinc/98/39/97/1017983997.db2.gz DJRYHSMNRBLMDV-LURJTMIESA-N -1 0 317.279 -0.802 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(CCCO)CC2)c[nH]1 ZINC001602291388 1017984263 /nfs/dbraw/zinc/98/42/63/1017984263.db2.gz UJNPRJKQZWORON-UHFFFAOYSA-N -1 0 317.367 -0.598 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H](OCCO)C2)on1 ZINC001602290260 1017985617 /nfs/dbraw/zinc/98/56/17/1017985617.db2.gz DWONHADSBJWYGY-QMMMGPOBSA-N -1 0 320.323 -0.465 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@@H](n3cncn3)C2)on1 ZINC001602289133 1017985881 /nfs/dbraw/zinc/98/58/81/1017985881.db2.gz BNLBIVIUDMRBFO-SSDOTTSWSA-N -1 0 313.295 -0.400 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)o1 ZINC001602319632 1017987792 /nfs/dbraw/zinc/98/77/92/1017987792.db2.gz OGSIVFTYFULZFR-QMMMGPOBSA-N -1 0 317.319 -0.401 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c(F)c1 ZINC001602320029 1017988073 /nfs/dbraw/zinc/98/80/73/1017988073.db2.gz CYIXRFUVGBVODH-JTQLQIEISA-N -1 0 321.264 -0.100 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NS(=O)(=O)C1COC1 ZINC001602307604 1017989499 /nfs/dbraw/zinc/98/94/99/1017989499.db2.gz BPQKGFCHSOTYFT-MRVPVSSYSA-N -1 0 301.324 -0.266 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c(F)c1 ZINC001602320031 1017990328 /nfs/dbraw/zinc/99/03/28/1017990328.db2.gz CYIXRFUVGBVODH-SNVBAGLBSA-N -1 0 321.264 -0.100 20 0 DBADRM O=C([O-])c1ccc(CN2CCN3[C@@H](CNS3(=O)=O)C2)[nH]1 ZINC001602338771 1017991049 /nfs/dbraw/zinc/99/10/49/1017991049.db2.gz JJQZRFZOSNAWSG-VIFPVBQESA-N -1 0 300.340 -0.953 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c(F)c1 ZINC001602323267 1017991582 /nfs/dbraw/zinc/99/15/82/1017991582.db2.gz GORRBTQOQMALEP-NXEZZACHSA-N -1 0 317.294 -0.588 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@]23COCCN2C(=O)COC3)o1 ZINC001602322189 1017992198 /nfs/dbraw/zinc/99/21/98/1017992198.db2.gz ZQWSBLGBHUKXCH-CQSZACIVSA-N -1 0 324.289 -0.665 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCC[C@]2(O)CCOC2)cn1 ZINC001602397937 1017993349 /nfs/dbraw/zinc/99/33/49/1017993349.db2.gz PHINHZALURPTLQ-LBPRGKRZSA-N -1 0 316.335 -0.400 20 0 DBADRM O=C([O-])c1ccc2c(c1)OCCN(C(=O)Cn1ncnn1)C2 ZINC001602425011 1017994068 /nfs/dbraw/zinc/99/40/68/1017994068.db2.gz DWRWFOMVQJNHEH-UHFFFAOYSA-N -1 0 303.278 -0.208 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@](F)(CO)C2)cn1 ZINC001602395072 1017994807 /nfs/dbraw/zinc/99/48/07/1017994807.db2.gz MRYMGKKMQCAVPC-LLVKDONJSA-N -1 0 304.299 -0.125 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2COCCN2)s1 ZINC001602399741 1017996280 /nfs/dbraw/zinc/99/62/80/1017996280.db2.gz ZDKJYDRMZIDZBP-ZETCQYMHSA-N -1 0 306.365 -0.287 20 0 DBADRM O=C([O-])c1cccc(CN2CCS(=O)(=O)C[C@H]2CCO)n1 ZINC001602436388 1017997994 /nfs/dbraw/zinc/99/79/94/1017997994.db2.gz AVULSUREPCGHRI-LLVKDONJSA-N -1 0 314.363 -0.239 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2C[C@@H]3COC[C@H](C2)O3)c1=O ZINC001602475887 1017998384 /nfs/dbraw/zinc/99/83/84/1017998384.db2.gz NPIPHJRQBVCKHZ-AOOOYVTPSA-N -1 0 308.290 -0.827 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCN3C(=O)OCC[C@H]3C2)n1 ZINC001602477107 1017998459 /nfs/dbraw/zinc/99/84/59/1017998459.db2.gz AUBIBJHAPGXNBX-VIFPVBQESA-N -1 0 308.294 -0.366 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCC[C@@H]2C2OCCO2)c1=O ZINC001602474852 1017999479 /nfs/dbraw/zinc/99/94/79/1017999479.db2.gz CNKMAMFXEXQDOW-LLVKDONJSA-N -1 0 322.317 -0.090 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCOC[C@@]23CCOC3)c1=O ZINC001602475430 1017999831 /nfs/dbraw/zinc/99/98/31/1017999831.db2.gz IERYHKTXSKFQSS-HNNXBMFYSA-N -1 0 322.317 -0.436 20 0 DBADRM O=C([O-])c1cccc(CS(=O)(=O)NCCn2cnnn2)c1 ZINC001602440568 1018000313 /nfs/dbraw/zinc/00/03/13/1018000313.db2.gz ZARYOFKOWSFHCT-UHFFFAOYSA-N -1 0 311.323 -0.509 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2CCN3C(=O)N=NC3C2)c1 ZINC001602451351 1018000598 /nfs/dbraw/zinc/00/05/98/1018000598.db2.gz JKUBPIMUGAGMKT-UHFFFAOYSA-N -1 0 324.318 -0.114 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCO[C@@]3(CCCOC3)C2)n1 ZINC001602477384 1018001472 /nfs/dbraw/zinc/00/14/72/1018001472.db2.gz RBTLPDBBVNDFDH-AWEZNQCLSA-N -1 0 309.322 -0.011 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC001602489024 1018001539 /nfs/dbraw/zinc/00/15/39/1018001539.db2.gz PKNKVECSYKVCBF-SSDOTTSWSA-N -1 0 323.348 -0.167 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC001602484300 1018001812 /nfs/dbraw/zinc/00/18/12/1018001812.db2.gz DMAPSVHXBDUXOU-OCCIGCLGSA-N -1 0 316.360 -0.326 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N2CC[C@H](CO)[C@@H](O)C2)n1 ZINC001602478493 1018001933 /nfs/dbraw/zinc/00/19/33/1018001933.db2.gz AAVFCGLQOFHOSZ-PWSUYJOCSA-N -1 0 311.338 -0.437 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCC[C@H]2CN2CCOCC2)n1 ZINC001602477457 1018002123 /nfs/dbraw/zinc/00/21/23/1018002123.db2.gz VQKAFSYQNJROBR-LBPRGKRZSA-N -1 0 322.365 -0.096 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)N[C@H]3CCNC3=O)C2)nn1 ZINC001602492032 1018002227 /nfs/dbraw/zinc/00/22/27/1018002227.db2.gz OSXREGOPFOSHKC-BDAKNGLRSA-N -1 0 322.325 -0.789 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)NC[C@@H](CO)[C@H]1CCOC1 ZINC001602489109 1018002479 /nfs/dbraw/zinc/00/24/79/1018002479.db2.gz RVXDQKOKSCTIAX-IUCAKERBSA-N -1 0 319.335 -0.099 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)c1 ZINC001602478041 1018003436 /nfs/dbraw/zinc/00/34/36/1018003436.db2.gz PCNMRZKKSLLKAJ-NWDGAFQWSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)[C@]3(O)CCOC3)CC2)nn1 ZINC001602493725 1018004185 /nfs/dbraw/zinc/00/41/85/1018004185.db2.gz LXJFTMNXBMSJLR-ZDUSSCGKSA-N -1 0 310.310 -0.709 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)[C@@]3(O)CCOC3)C2)nn1 ZINC001602494538 1018004830 /nfs/dbraw/zinc/00/48/30/1018004830.db2.gz JNXQFKBMTOBOMY-TVQRCGJNSA-N -1 0 310.310 -0.709 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)c3ccc(CO)nc3)C2)nn1 ZINC001602497839 1018005132 /nfs/dbraw/zinc/00/51/32/1018005132.db2.gz BJBOQSNEFLQMBE-LLVKDONJSA-N -1 0 317.305 -0.049 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(CC(=O)N3CCNC3=O)C2)nn1 ZINC001602495159 1018005147 /nfs/dbraw/zinc/00/51/47/1018005147.db2.gz OIBHHIKRCYIYQZ-SECBINFHSA-N -1 0 322.325 -0.835 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(CN3C(=O)[C@@H]4CC[C@@H]4C3=O)C2)nn1 ZINC001602499071 1018005709 /nfs/dbraw/zinc/00/57/09/1018005709.db2.gz QVYSWKFFZXYQMT-LPEHRKFASA-N -1 0 319.321 -0.424 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3ncnc4[nH]ccc43)C2)nn1 ZINC001602502148 1018007517 /nfs/dbraw/zinc/00/75/17/1018007517.db2.gz NLTFYAMUMUIPQT-UHFFFAOYSA-N -1 0 313.277 -0.104 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@@H](Nc3ncccn3)C2)nn1 ZINC001602503246 1018007764 /nfs/dbraw/zinc/00/77/64/1018007764.db2.gz YPAIEVZTUDYKDN-SECBINFHSA-N -1 0 317.309 -0.521 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@@H](N3CCC3)[C@@H](F)C2)nn1 ZINC001602502500 1018008075 /nfs/dbraw/zinc/00/80/75/1018008075.db2.gz DFIWJSWKPAKSCR-GXSJLCMTSA-N -1 0 311.317 -0.379 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H]2c2ccc(=O)[nH]n2)nn1 ZINC001602502451 1018008172 /nfs/dbraw/zinc/00/81/72/1018008172.db2.gz ATBLZDKDBMVTLJ-JTQLQIEISA-N -1 0 318.293 -0.164 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H]2c2ccc(=O)[nH]n2)nn1 ZINC001602502452 1018008783 /nfs/dbraw/zinc/00/87/83/1018008783.db2.gz ATBLZDKDBMVTLJ-SNVBAGLBSA-N -1 0 318.293 -0.164 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCC[C@@H]1CCOC1=O ZINC001602506598 1018009451 /nfs/dbraw/zinc/00/94/51/1018009451.db2.gz GJNBTRUSNYUVTF-SSDOTTSWSA-N -1 0 317.323 -0.271 20 0 DBADRM O=C([O-])c1cnc(C(=O)O[C@@H]2CCCS(=O)(=O)C2)cn1 ZINC001602508487 1018009523 /nfs/dbraw/zinc/00/95/23/1018009523.db2.gz MGCHAXZFHSBAQF-SSDOTTSWSA-N -1 0 300.292 -0.091 20 0 DBADRM O=C([O-])c1cn([C@@H]2COC[C@H]2OC(=O)[C@@H]2C[C@@]23CCOC3)nn1 ZINC001602506026 1018010014 /nfs/dbraw/zinc/01/00/14/1018010014.db2.gz BRBTWGZRCPZRSX-CYFJXOGMSA-N -1 0 323.305 -0.114 20 0 DBADRM O=C([O-])c1cn(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)nn1 ZINC001602505310 1018010168 /nfs/dbraw/zinc/01/01/68/1018010168.db2.gz LADLYOPFAZCDCE-SSDOTTSWSA-N -1 0 321.259 -0.066 20 0 DBADRM O=C([O-])c1cnc(COC(=O)[C@@H]2CCCS2(=O)=O)cn1 ZINC001602521892 1018010221 /nfs/dbraw/zinc/01/02/21/1018010221.db2.gz NWSFEXWYCWWZSF-VIFPVBQESA-N -1 0 300.292 -0.205 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@H](CO)c1cccnc1 ZINC001602507881 1018011228 /nfs/dbraw/zinc/01/12/28/1018011228.db2.gz NJMNQJIOALMDTL-SECBINFHSA-N -1 0 312.307 -0.485 20 0 DBADRM O=C([O-])c1cn(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)nn1 ZINC001602505311 1018011812 /nfs/dbraw/zinc/01/18/12/1018011812.db2.gz LADLYOPFAZCDCE-ZETCQYMHSA-N -1 0 321.259 -0.066 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)C2CCOCC2)nc1 ZINC001602529727 1018013055 /nfs/dbraw/zinc/01/30/55/1018013055.db2.gz IEVCIXOOKBPCKB-NSHDSACASA-N -1 0 324.337 -0.510 20 0 DBADRM O=C([O-])c1cnc(N2CCO[C@@]3(CCS(=O)(=O)C3)C2)nc1 ZINC001602527030 1018013185 /nfs/dbraw/zinc/01/31/85/1018013185.db2.gz IKQHSUIPWUQQTA-LBPRGKRZSA-N -1 0 313.335 -0.431 20 0 DBADRM O=C([O-])c1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCOC2)nc1 ZINC001602528543 1018013201 /nfs/dbraw/zinc/01/32/01/1018013201.db2.gz SUFFMMGSYDJZBW-YJQGPUDQSA-N -1 0 318.333 -0.238 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)C3CC3)[C@@H](O)C2)nc1 ZINC001602526091 1018013319 /nfs/dbraw/zinc/01/33/19/1018013319.db2.gz XFXQZKPGWZJXRS-QWRGUYRKSA-N -1 0 306.322 -0.359 20 0 DBADRM O=C([O-])c1cnc(NCCN(CCO)C(=O)c2cn[nH]c2)nc1 ZINC001602531927 1018013463 /nfs/dbraw/zinc/01/34/63/1018013463.db2.gz IJOLRVRPRMSTOK-UHFFFAOYSA-N -1 0 320.309 -0.556 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)c3nc[nH]n3)CC2)nc1 ZINC001602527384 1018013817 /nfs/dbraw/zinc/01/38/17/1018013817.db2.gz RZYOOKNUFZKGOW-UHFFFAOYSA-N -1 0 303.282 -0.745 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)nc1 ZINC001602527685 1018014473 /nfs/dbraw/zinc/01/44/73/1018014473.db2.gz ANLYNJFNKCQMEP-VHSXEESVSA-N -1 0 319.321 -0.994 20 0 DBADRM O=C([O-])c1cnoc1CN1CCN(S(=O)(=O)C2CC2)CC1 ZINC001602547107 1018014972 /nfs/dbraw/zinc/01/49/72/1018014972.db2.gz CWAWAVIWEXUHOQ-UHFFFAOYSA-N -1 0 315.351 -0.017 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCN(c3ncns3)CC2)c1 ZINC001602544987 1018015617 /nfs/dbraw/zinc/01/56/17/1018015617.db2.gz LMOKONVBBQHSPI-UHFFFAOYSA-N -1 0 322.350 -0.218 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C2(n3cnnn3)CCOCC2)c1 ZINC001602540591 1018015915 /nfs/dbraw/zinc/01/59/15/1018015915.db2.gz GALARMMBLKORTJ-UHFFFAOYSA-N -1 0 318.293 -0.089 20 0 DBADRM O=C([O-])c1cncc(NCCNS(=O)(=O)c2cccnc2)n1 ZINC001602540397 1018016010 /nfs/dbraw/zinc/01/60/10/1018016010.db2.gz OVXHSIWZIHONHB-UHFFFAOYSA-N -1 0 323.334 -0.040 20 0 DBADRM O=C([O-])c1coc(C(=O)COC(=O)[C@@H]2CCS(=O)(=O)N2)c1 ZINC001602550050 1018016138 /nfs/dbraw/zinc/01/61/38/1018016138.db2.gz NEYMEJFOYHABJK-ZETCQYMHSA-N -1 0 317.275 -0.605 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N[C@@H](CO)c2ncc[nH]2)c1 ZINC001602542161 1018016356 /nfs/dbraw/zinc/01/63/56/1018016356.db2.gz MYWYKFZTEIGBNA-VIFPVBQESA-N -1 0 312.307 -0.485 20 0 DBADRM O=C([O-])c1nccc(NCCN(CCO)C(=O)[C@@H]2CCCO2)n1 ZINC001602573327 1018017551 /nfs/dbraw/zinc/01/75/51/1018017551.db2.gz LKJNBCGSZCPZOL-JTQLQIEISA-N -1 0 324.337 -0.992 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)NC[C@H](CO)[C@@H]2CCOC2)c1 ZINC001602556639 1018017713 /nfs/dbraw/zinc/01/77/13/1018017713.db2.gz JXXQGIMMOHQXGQ-PSASIEDQSA-N -1 0 319.335 -0.099 20 0 DBADRM O=C([O-])c1coc(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)n1 ZINC001602553255 1018018063 /nfs/dbraw/zinc/01/80/63/1018018063.db2.gz NOGZWHVONJQZAN-ZETCQYMHSA-N -1 0 319.277 -0.235 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)NC[C@@H](CO)[C@@H]2CCOC2)c1 ZINC001602556640 1018018199 /nfs/dbraw/zinc/01/81/99/1018018199.db2.gz JXXQGIMMOHQXGQ-SCZZXKLOSA-N -1 0 319.335 -0.099 20 0 DBADRM O=C([O-])c1nccc(NCCN(CCO)C(=O)[C@H]2CCCO2)n1 ZINC001602573329 1018018371 /nfs/dbraw/zinc/01/83/71/1018018371.db2.gz LKJNBCGSZCPZOL-SNVBAGLBSA-N -1 0 324.337 -0.992 20 0 DBADRM O=C([O-])c1nc(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)cs1 ZINC001602567460 1018018431 /nfs/dbraw/zinc/01/84/31/1018018431.db2.gz SMJSPABPVXXQMZ-MRVPVSSYSA-N -1 0 323.334 -0.026 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)c2cc(F)c[nH]2)n1 ZINC001602574942 1018019983 /nfs/dbraw/zinc/01/99/83/1018019983.db2.gz PKNSRSDXCLFYRV-MRVPVSSYSA-N -1 0 323.284 -0.733 20 0 DBADRM O=C([O-])c1nccc(NCCNS(=O)(=O)c2ccccc2)n1 ZINC001602574046 1018020183 /nfs/dbraw/zinc/02/01/83/1018020183.db2.gz ZTFGRVHVDGTEHE-UHFFFAOYSA-N -1 0 322.346 -0.013 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)c2ccco2)n1 ZINC001602575527 1018020251 /nfs/dbraw/zinc/02/02/51/1018020251.db2.gz ZONQNHJUTIDSHD-QMMMGPOBSA-N -1 0 306.278 -0.608 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3COCCO3)C2)n1 ZINC001602578509 1018020614 /nfs/dbraw/zinc/02/06/14/1018020614.db2.gz UJAGQIHMOPHSGL-AEJSXWLSSA-N -1 0 322.321 -0.929 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)n1 ZINC001602574928 1018020748 /nfs/dbraw/zinc/02/07/48/1018020748.db2.gz PCXOBPODLZFEHP-SSDOTTSWSA-N -1 0 303.282 -0.959 20 0 DBADRM O=C([O-])c1nc(NC2(CNC(=O)c3nnc[n-]3)CC2)cc[nH+]1 ZINC001602574673 1018020971 /nfs/dbraw/zinc/02/09/71/1018020971.db2.gz PUSDQQZBBWOTHN-UHFFFAOYSA-N -1 0 303.282 -0.911 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)c2ccc[nH]2)n1 ZINC001602574834 1018021035 /nfs/dbraw/zinc/02/10/35/1018021035.db2.gz ODIDFWDQFQXTLA-MRVPVSSYSA-N -1 0 305.294 -0.872 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)n1 ZINC001602575172 1018021052 /nfs/dbraw/zinc/02/10/52/1018021052.db2.gz RXPITMORLWBJTG-VIFPVBQESA-N -1 0 316.321 -0.425 20 0 DBADRM O=C([O-])c1nc(N[C@@H](CNC(=O)c2nnc[n-]2)C2CC2)cc[nH+]1 ZINC001602575233 1018021148 /nfs/dbraw/zinc/02/11/48/1018021148.db2.gz XTEWQSUJKMYTEI-QMMMGPOBSA-N -1 0 317.309 -0.665 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)c2cccc(=O)[nH]2)n1 ZINC001602573940 1018021226 /nfs/dbraw/zinc/02/12/26/1018021226.db2.gz XILRPBSUJQBLSW-UHFFFAOYSA-N -1 0 317.305 -0.071 20 0 DBADRM O=C([O-])c1nccc(NC[C@H]2CCCN2C(=O)c2cn[nH]n2)n1 ZINC001602576271 1018021305 /nfs/dbraw/zinc/02/13/05/1018021305.db2.gz VHSHZSTWMOIAJS-MRVPVSSYSA-N -1 0 317.309 -0.569 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N1CC[C@](F)(CO)C1 ZINC001602576707 1018021416 /nfs/dbraw/zinc/02/14/16/1018021416.db2.gz AJKNZAYJEVYSRH-LLVKDONJSA-N -1 0 304.299 -0.125 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001602577168 1018021700 /nfs/dbraw/zinc/02/17/00/1018021700.db2.gz HBUOBOVEYJVUMQ-YUMQZZPRSA-N -1 0 312.303 -0.427 20 0 DBADRM O=C([O-])c1nccnc1N1CCN(CC(F)(F)CO)CC1 ZINC001602580452 1018022089 /nfs/dbraw/zinc/02/20/89/1018022089.db2.gz CZZNIMYXROWBSA-UHFFFAOYSA-N -1 0 302.281 -0.076 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NC1COCCOC1 ZINC001602588740 1018022127 /nfs/dbraw/zinc/02/21/27/1018022127.db2.gz KAHYPMRQQBQFSB-UHFFFAOYSA-N -1 0 308.337 -0.465 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CCOC[C@@H]1CCO ZINC001602585789 1018022255 /nfs/dbraw/zinc/02/22/55/1018022255.db2.gz ZJCJMVARWDBCCO-VIFPVBQESA-N -1 0 314.294 -0.501 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CC[C@@H](O)[C@@H](F)C1 ZINC001602585108 1018022496 /nfs/dbraw/zinc/02/24/96/1018022496.db2.gz OOVCJTJXMGKNFG-JGVFFNPUSA-N -1 0 302.258 -0.179 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NC[C@@H]1COCCN1 ZINC001602582448 1018023045 /nfs/dbraw/zinc/02/30/45/1018023045.db2.gz FKGVQQDQBCLHNX-ZCFIWIBFSA-N -1 0 307.353 -0.892 20 0 DBADRM O=C([O-])c1ncn(CN2CCN(CC(F)(F)F)C(=O)C2)n1 ZINC001602580964 1018023872 /nfs/dbraw/zinc/02/38/72/1018023872.db2.gz IJYYMIRCVQDHAY-UHFFFAOYSA-N -1 0 307.232 -0.360 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)CCOC1 ZINC001602625696 1018024383 /nfs/dbraw/zinc/02/43/83/1018024383.db2.gz CLHBFUSUFYRLCS-OAHLLOKOSA-N -1 0 321.333 -0.211 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1nc3n(n1)CCCN3)CC2 ZINC001602629011 1018024923 /nfs/dbraw/zinc/02/49/23/1018024923.db2.gz BYLUABLIWAMNHC-OTYXRUKQSA-N -1 0 305.338 -0.179 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001602626743 1018025282 /nfs/dbraw/zinc/02/52/82/1018025282.db2.gz NJGSDYFUXZJKCT-AWEZNQCLSA-N -1 0 302.290 -0.071 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2ccc(CN3CCOCC3)o2)C1 ZINC001602624858 1018025378 /nfs/dbraw/zinc/02/53/78/1018025378.db2.gz JKEMFSDIYDXFAN-OAHLLOKOSA-N -1 0 324.333 -0.227 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)c3cn4c(n3)COCC4)C[C@H]1COCC2 ZINC001602628001 1018025699 /nfs/dbraw/zinc/02/56/99/1018025699.db2.gz XRUSKTMHWLMWIY-ZUZCIYMTSA-N -1 0 321.333 -0.023 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001602628004 1018026068 /nfs/dbraw/zinc/02/60/68/1018026068.db2.gz XZYQMYMMKUEDFD-CYBMUJFWSA-N -1 0 310.310 -0.709 20 0 DBADRM O=C([O-])c1cc(F)ccc1S(=O)(=O)NC[C@H]1CNC(=O)C1 ZINC001602636490 1018026889 /nfs/dbraw/zinc/02/68/89/1018026889.db2.gz GMPLFFVJXCMQGS-SSDOTTSWSA-N -1 0 316.310 -0.062 20 0 DBADRM O=C([O-])[C@@H]1CCCCN1Cc1cn(C[C@@H]2CNC(=O)C2)nn1 ZINC001602636095 1018027027 /nfs/dbraw/zinc/02/70/27/1018027027.db2.gz DGAPEMKAAGOWIK-JQWIXIFHSA-N -1 0 307.354 -0.147 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)NC[C@H]1CNC(=O)C1 ZINC001602636507 1018027450 /nfs/dbraw/zinc/02/74/50/1018027450.db2.gz GRWXTBFUNOGLNY-RKDXNWHRSA-N -1 0 321.337 -0.149 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N[C@@H]2CNC(=O)C2)CCCCC1 ZINC001602635815 1018027784 /nfs/dbraw/zinc/02/77/84/1018027784.db2.gz LYNDBLOEDIWGDU-VIFPVBQESA-N -1 0 304.368 -0.171 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)c2ccccc2O1 ZINC001602633977 1018027861 /nfs/dbraw/zinc/02/78/61/1018027861.db2.gz SAGTXLMNDQPCQE-LDYMZIIASA-N -1 0 318.285 -0.082 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC001602630087 1018028381 /nfs/dbraw/zinc/02/83/81/1018028381.db2.gz UEXXESUHGTWAEJ-GFCCVEGCSA-N -1 0 318.329 -0.307 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)NC[C@@H]1CNC(=O)C1 ZINC001602636501 1018028522 /nfs/dbraw/zinc/02/85/22/1018028522.db2.gz GRWXTBFUNOGLNY-DTWKUNHWSA-N -1 0 321.337 -0.149 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)nn1 ZINC001602633177 1018028680 /nfs/dbraw/zinc/02/86/80/1018028680.db2.gz BZSGPFUUJMJZCH-DTWKUNHWSA-N -1 0 308.294 -0.297 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[C@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001602631273 1018028706 /nfs/dbraw/zinc/02/87/06/1018028706.db2.gz BMFXJVMWEZUAGX-YBXAARCKSA-N -1 0 310.350 -0.272 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N[C@H]1CCNC(=O)CC1 ZINC001602638672 1018029137 /nfs/dbraw/zinc/02/91/37/1018029137.db2.gz IVIVKIUKVXEEBL-MRVPVSSYSA-N -1 0 311.294 -0.326 20 0 DBADRM O=C([O-])C1(C2(O)CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CCC1 ZINC001602641799 1018029174 /nfs/dbraw/zinc/02/91/74/1018029174.db2.gz GBMIYMVHUQDHOG-JTQLQIEISA-N -1 0 310.350 -0.127 20 0 DBADRM O=C([O-])c1ccccc1CS(=O)(=O)NC[C@H]1CNC(=O)C1 ZINC001602638074 1018029316 /nfs/dbraw/zinc/02/93/16/1018029316.db2.gz YPOGKCQABFXTNE-SECBINFHSA-N -1 0 312.347 -0.060 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001602643588 1018029992 /nfs/dbraw/zinc/02/99/92/1018029992.db2.gz VIOAZIXANKUBQI-BDAKNGLRSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2[C@@H]3CC[C@H]2CC(=O)C3)nn1 ZINC001602639774 1018030099 /nfs/dbraw/zinc/03/00/99/1018030099.db2.gz NDQWOZKJXGFDFA-DTORHVGOSA-N -1 0 307.310 -0.118 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC001602636766 1018030142 /nfs/dbraw/zinc/03/01/42/1018030142.db2.gz IXJCUZOPXHXGJL-QWRGUYRKSA-N -1 0 320.301 -0.933 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)nn1 ZINC001602642817 1018030434 /nfs/dbraw/zinc/03/04/34/1018030434.db2.gz NYNRWINSVZCXTC-RKDXNWHRSA-N -1 0 307.310 -0.724 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)C1 ZINC001602637164 1018030817 /nfs/dbraw/zinc/03/08/17/1018030817.db2.gz WLJLLHPWAUKSBY-NSHDSACASA-N -1 0 321.289 -0.425 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)c2cc3n(n2)CCCC3=O)CC1 ZINC001602644808 1018031359 /nfs/dbraw/zinc/03/13/59/1018031359.db2.gz LPIWFVHIUXSSKD-UHFFFAOYSA-N -1 0 307.306 -0.089 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCNC(=O)CC2)cc1 ZINC001602644902 1018031406 /nfs/dbraw/zinc/03/14/06/1018031406.db2.gz QGNQUBDRIMWDDL-UHFFFAOYSA-N -1 0 305.290 -0.328 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC001602646357 1018031830 /nfs/dbraw/zinc/03/18/30/1018031830.db2.gz GJJNTCNICFMIRW-JTQLQIEISA-N -1 0 311.319 -0.068 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)nc1 ZINC001602647433 1018032861 /nfs/dbraw/zinc/03/28/61/1018032861.db2.gz UZSIWAUAYJOESO-UWVGGRQHSA-N -1 0 319.321 -0.852 20 0 DBADRM O=C(CN1CCNC(=O)C1)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001602649124 1018032931 /nfs/dbraw/zinc/03/29/31/1018032931.db2.gz NMSMDLPGACEOGM-LBPRGKRZSA-N -1 0 311.382 -0.042 20 0 DBADRM O=C([O-])c1n[nH]c2ccc(NC(=O)CN3CCNC(=O)C3)cc21 ZINC001602650647 1018033463 /nfs/dbraw/zinc/03/34/63/1018033463.db2.gz WFHPYGWNUULJHC-UHFFFAOYSA-N -1 0 317.305 -0.369 20 0 DBADRM O=C([O-])[C@H](CCF)NC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC001602654696 1018033996 /nfs/dbraw/zinc/03/39/96/1018033996.db2.gz BVQKAWGHVJDGBE-DMWDQNTBSA-N -1 0 315.301 -0.316 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccccc1F ZINC001602652827 1018034317 /nfs/dbraw/zinc/03/43/17/1018034317.db2.gz GPDDDJJUIREFCI-WPRPVWTQSA-N -1 0 309.253 -0.334 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001602652477 1018034330 /nfs/dbraw/zinc/03/43/30/1018034330.db2.gz QGCQAPULMZLIQO-DTWKUNHWSA-N -1 0 320.301 -0.075 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@@H]21 ZINC001602653966 1018035090 /nfs/dbraw/zinc/03/50/90/1018035090.db2.gz YLXNNTVJOOCANE-VROVMSAKSA-N -1 0 303.274 -0.185 20 0 DBADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001602656244 1018036004 /nfs/dbraw/zinc/03/60/04/1018036004.db2.gz LNVZJECSOAGWBZ-XUOSJQGZSA-N -1 0 323.227 -0.550 20 0 DBADRM O=C([O-])c1cncc(NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)n1 ZINC001602655174 1018036654 /nfs/dbraw/zinc/03/66/54/1018036654.db2.gz NKSPTNTYIKDJCS-WPPNPWJKSA-N -1 0 305.294 -0.035 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H](C)CC ZINC001499236485 1018037114 /nfs/dbraw/zinc/03/71/14/1018037114.db2.gz UORXTKHDMOECPC-JGVFFNPUSA-N -1 0 311.342 -0.047 20 0 DBADRM O=C([O-])C12CCC(C(=O)N3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)(CC1)C2 ZINC001602656325 1018037125 /nfs/dbraw/zinc/03/71/25/1018037125.db2.gz NSQLJHGDGHCAHC-QRPANZHUSA-N -1 0 306.318 -0.248 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H](CC)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001499236486 1018037658 /nfs/dbraw/zinc/03/76/58/1018037658.db2.gz UORXTKHDMOECPC-SFYZADRCSA-N -1 0 311.342 -0.047 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Nc2ccc3c(c2F)CCNC3=O)C1 ZINC001602659142 1018037995 /nfs/dbraw/zinc/03/79/95/1018037995.db2.gz STRNEOKKDSVGJS-UHFFFAOYSA-N -1 0 323.280 -0.225 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCC3(CCNC(=O)O3)CC2)C1 ZINC001602659720 1018038090 /nfs/dbraw/zinc/03/80/90/1018038090.db2.gz RSHZJVJTSIBOLO-SNVBAGLBSA-N -1 0 311.338 -0.159 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC001602657868 1018038512 /nfs/dbraw/zinc/03/85/12/1018038512.db2.gz HSSHWIHVJIQYKU-FXAINCCUSA-N -1 0 304.302 -0.440 20 0 DBADRM O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1C(=O)[C@H]1CCNC1=O ZINC001602658140 1018039387 /nfs/dbraw/zinc/03/93/87/1018039387.db2.gz IZCIHEROVSGUHT-RYUDHWBXSA-N -1 0 304.302 -0.134 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1coc2c1C(=O)NCCC2 ZINC001602658542 1018039471 /nfs/dbraw/zinc/03/94/71/1018039471.db2.gz NFJQSXNDPUHMPJ-APPZFPTMSA-N -1 0 308.290 -0.384 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCC[C@@H]2CCOC2=O)CCO1 ZINC001602662123 1018039523 /nfs/dbraw/zinc/03/95/23/1018039523.db2.gz YRJMNVPYGKGMKJ-NXEZZACHSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])c1cnc(N[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)nc1 ZINC001602656935 1018039789 /nfs/dbraw/zinc/03/97/89/1018039789.db2.gz XBNAYAWWZZHPFS-IUCAKERBSA-N -1 0 321.293 -0.704 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001602668799 1018041011 /nfs/dbraw/zinc/04/10/11/1018041011.db2.gz VMICDDDCQQBGLJ-KXUCPTDWSA-N -1 0 306.322 -0.012 20 0 DBADRM O=Cc1ccc(CC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])cc1 ZINC001602666879 1018041096 /nfs/dbraw/zinc/04/10/96/1018041096.db2.gz JZIHKHJEBFXBJA-LBPRGKRZSA-N -1 0 302.290 -0.097 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C=C1CCC1 ZINC001499250223 1018043160 /nfs/dbraw/zinc/04/31/60/1018043160.db2.gz WHELXPQGHQPCMH-JTQLQIEISA-N -1 0 323.353 -0.189 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001499253441 1018043467 /nfs/dbraw/zinc/04/34/67/1018043467.db2.gz CSIVJJFZJROVKD-RKDXNWHRSA-N -1 0 317.353 -0.225 20 0 DBADRM CN1CC[C@@H](CC(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)C1=O ZINC001499258916 1018047508 /nfs/dbraw/zinc/04/75/08/1018047508.db2.gz JLEXAQHSZLOAJY-VIFPVBQESA-N -1 0 322.369 -0.883 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)[C@@H](C(=O)[O-])C(C)C)CC1 ZINC001602744749 1018057175 /nfs/dbraw/zinc/05/71/75/1018057175.db2.gz AYMKJUMHKRCWCG-GFCCVEGCSA-N -1 0 314.338 -0.423 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCc2nncn2C1)[C@H](C)C(=O)[O-] ZINC001602752810 1018057368 /nfs/dbraw/zinc/05/73/68/1018057368.db2.gz ICFFKXQOYVSDJN-KOLCDFICSA-N -1 0 323.353 -0.722 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001602751029 1018057449 /nfs/dbraw/zinc/05/74/49/1018057449.db2.gz LCZQGAHKJFOGOP-SNVBAGLBSA-N -1 0 320.305 -0.545 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001602752441 1018058028 /nfs/dbraw/zinc/05/80/28/1018058028.db2.gz CYVCABCEGRBKSZ-SECBINFHSA-N -1 0 300.311 -0.623 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001602744192 1018058155 /nfs/dbraw/zinc/05/81/55/1018058155.db2.gz JEFQIVAAIOPZSU-XUJVJEKNSA-N -1 0 310.350 -0.196 20 0 DBADRM CC(=O)NCCN(C(=O)C[C@@H]1CCC(=O)NC1)[C@@H](C)C(=O)[O-] ZINC001602753966 1018058671 /nfs/dbraw/zinc/05/86/71/1018058671.db2.gz YBZRNTXGRUZBDV-ONGXEEELSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(=O)NCCN(C(=O)c1cn(C)ccc1=O)[C@H](C)C(=O)[O-] ZINC001602757850 1018059552 /nfs/dbraw/zinc/05/95/52/1018059552.db2.gz OVUCLOWWXCLGSD-SECBINFHSA-N -1 0 309.322 -0.563 20 0 DBADRM CC(=O)N[C@H](C(=O)NCCOCCOCC(=O)[O-])C(C)(C)C ZINC001602760514 1018060794 /nfs/dbraw/zinc/06/07/94/1018060794.db2.gz LFCVXYKBUFRHSH-GFCCVEGCSA-N -1 0 318.370 -0.229 20 0 DBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@@H](C)C(=O)[O-])c2C1 ZINC001602753418 1018061610 /nfs/dbraw/zinc/06/16/10/1018061610.db2.gz PSXRTKQUIJCYLW-WPRPVWTQSA-N -1 0 308.338 -0.216 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])n1cccn1 ZINC001602789169 1018063223 /nfs/dbraw/zinc/06/32/23/1018063223.db2.gz INMMQVBGLXKLOC-DTWKUNHWSA-N -1 0 301.324 -0.846 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC001602805418 1018066839 /nfs/dbraw/zinc/06/68/39/1018066839.db2.gz UMPKQWZUCOGLDC-NSHDSACASA-N -1 0 300.355 -0.295 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)C1CCN(S(N)(=O)=O)CC1)C1CC1 ZINC001602814110 1018067398 /nfs/dbraw/zinc/06/73/98/1018067398.db2.gz DTXPMJCARJQRDE-QMMMGPOBSA-N -1 0 319.383 -0.634 20 0 DBADRM C=CC(=O)NCc1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001602801351 1018067491 /nfs/dbraw/zinc/06/74/91/1018067491.db2.gz QTXIUZXGCCEEDU-UHFFFAOYSA-N -1 0 319.317 -0.581 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CC(C(=O)[O-])C1 ZINC001602846293 1018068001 /nfs/dbraw/zinc/06/80/01/1018068001.db2.gz MMMAUWVRTZEFQF-UHFFFAOYSA-N -1 0 314.338 -0.375 20 0 DBADRM C[C@H](C(=O)[O-])c1noc(CNS(=O)(=O)c2cnn(C)c2)n1 ZINC001602830336 1018068052 /nfs/dbraw/zinc/06/80/52/1018068052.db2.gz NEOFAQXKZYRZAP-LURJTMIESA-N -1 0 315.311 -0.530 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N2C[C@H](O)C[C@H]2CO)n1 ZINC001602838965 1018068571 /nfs/dbraw/zinc/06/85/71/1018068571.db2.gz HPPNNICWEZAHPJ-DTWKUNHWSA-N -1 0 312.326 -0.338 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)Oc1ccc(C(=O)NCC(N)=O)cc1 ZINC001602838291 1018069144 /nfs/dbraw/zinc/06/91/44/1018069144.db2.gz PBLSRFHMQWYMHP-UHFFFAOYSA-N -1 0 308.290 -0.082 20 0 DBADRM CC(C)(C)N(CCS(C)(=O)=O)[C@H]1CCN(CC(=O)[O-])C1=O ZINC001602868453 1018072754 /nfs/dbraw/zinc/07/27/54/1018072754.db2.gz ITLBBCLFVMUDAB-JTQLQIEISA-N -1 0 320.411 -0.183 20 0 DBADRM CC(C)(C)OC(=O)N1CC(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001602882759 1018074027 /nfs/dbraw/zinc/07/40/27/1018074027.db2.gz LDDINJRTDRUUBM-SECBINFHSA-N -1 0 313.310 -0.049 20 0 DBADRM CC(=O)N1C[C@H]2CN(c3ccnc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001602933639 1018076744 /nfs/dbraw/zinc/07/67/44/1018076744.db2.gz OUTACFNVTGOUBW-IINYFYTJSA-N -1 0 314.353 -0.039 20 0 DBADRM CC(C)(C)n1cnc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)n1 ZINC001602928355 1018078980 /nfs/dbraw/zinc/07/89/80/1018078980.db2.gz VBIKEKAJPFZIQY-QMMMGPOBSA-N -1 0 310.310 -0.125 20 0 DBADRM CC(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C12CCC2 ZINC001602939114 1018081943 /nfs/dbraw/zinc/08/19/43/1018081943.db2.gz DZIKCJFUDPCBOE-NXEZZACHSA-N -1 0 314.353 -0.062 20 0 DBADRM CC(C)(O)CN(C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C1CC1 ZINC001602954342 1018084780 /nfs/dbraw/zinc/08/47/80/1018084780.db2.gz FIMKKZHXFYNHAZ-UHFFFAOYSA-N -1 0 324.337 -0.332 20 0 DBADRM CC(C)(O)C1CN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1 ZINC001602955029 1018086459 /nfs/dbraw/zinc/08/64/59/1018086459.db2.gz VCMREJXVKYAPMT-SNVBAGLBSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC001602966090 1018086863 /nfs/dbraw/zinc/08/68/63/1018086863.db2.gz TXUFXSWADKEYCT-VHSXEESVSA-N -1 0 306.384 -0.130 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001602964226 1018087274 /nfs/dbraw/zinc/08/72/74/1018087274.db2.gz CBXUKVADOAGGDQ-GXFFZTMASA-N -1 0 319.379 -0.241 20 0 DBADRM CC(C)[C@@H](O)CNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001602993989 1018093538 /nfs/dbraw/zinc/09/35/38/1018093538.db2.gz URRXALIOSVSNIG-MNOVXSKESA-N -1 0 315.370 -0.232 20 0 DBADRM C[C@H](C(=O)NC1CCC(CO)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603007347 1018095138 /nfs/dbraw/zinc/09/51/38/1018095138.db2.gz BDNLYXDWCZVUCU-XNWIYYODSA-N -1 0 320.357 -0.314 20 0 DBADRM CC(C)[C@](C)(NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(N)=O ZINC001603004896 1018096089 /nfs/dbraw/zinc/09/60/89/1018096089.db2.gz IAYHKYLKHNQZMP-KRTXAFLBSA-N -1 0 321.345 -0.965 20 0 DBADRM C[C@H](C(=O)NCCc1ccn(C)n1)n1cnc(-c2nnn[n-]2)n1 ZINC001603015755 1018096562 /nfs/dbraw/zinc/09/65/62/1018096562.db2.gz BQZRCOVGXBNNCW-MRVPVSSYSA-N -1 0 316.329 -0.888 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001603015949 1018096863 /nfs/dbraw/zinc/09/68/63/1018096863.db2.gz FIPHEFNPYDONPJ-AWEZNQCLSA-N -1 0 313.354 -0.658 20 0 DBADRM C[C@H](C(=O)NCCc1cnn(C)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001603017707 1018097549 /nfs/dbraw/zinc/09/75/49/1018097549.db2.gz WPHRWMOBFIASRI-MRVPVSSYSA-N -1 0 316.329 -0.888 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1COC(C)(C)O1)n1cnc(-c2nnn[n-]2)n1 ZINC001603017165 1018097624 /nfs/dbraw/zinc/09/76/24/1018097624.db2.gz YYNIQSJQHUGNKA-JGVFFNPUSA-N -1 0 322.329 -0.713 20 0 DBADRM C[C@H](C(=O)NCc1ccncn1)n1cnc(-c2nnn[n-]2)n1 ZINC001603019815 1018099333 /nfs/dbraw/zinc/09/93/33/1018099333.db2.gz RKAOCLOZIOAFDG-SSDOTTSWSA-N -1 0 300.286 -0.874 20 0 DBADRM C[C@H](C(=O)NCCOC1CCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603017495 1018099833 /nfs/dbraw/zinc/09/98/33/1018099833.db2.gz SXCFUZLYMQINEQ-MRVPVSSYSA-N -1 0 306.330 -0.296 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])C1 ZINC001603019176 1018100485 /nfs/dbraw/zinc/10/04/85/1018100485.db2.gz TTWHORHZTIMJQR-QWRGUYRKSA-N -1 0 309.326 -0.894 20 0 DBADRM C[C@@H](C(=O)NCCOC1CCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603017496 1018101064 /nfs/dbraw/zinc/10/10/64/1018101064.db2.gz SXCFUZLYMQINEQ-QMMMGPOBSA-N -1 0 306.330 -0.296 20 0 DBADRM C[C@H](C(=O)NCc1nccs1)n1cnc(-c2nnn[n-]2)n1 ZINC001603019680 1018101213 /nfs/dbraw/zinc/10/12/13/1018101213.db2.gz NNPSJECHSIMZBR-ZCFIWIBFSA-N -1 0 305.327 -0.208 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001603024182 1018102311 /nfs/dbraw/zinc/10/23/11/1018102311.db2.gz BLGFTDHOHPXPJR-UHFFFAOYSA-N -1 0 324.289 -0.175 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)c1cnccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001603021802 1018103548 /nfs/dbraw/zinc/10/35/48/1018103548.db2.gz AHDYYNDZHWPMRB-JGVFFNPUSA-N -1 0 314.313 -0.313 20 0 DBADRM C[C@H](C(=O)OCC(=O)c1ccc[nH]1)n1cnc(-c2nnn[n-]2)n1 ZINC001603033611 1018107838 /nfs/dbraw/zinc/10/78/38/1018107838.db2.gz ZIYHIRNRMYILTG-SSDOTTSWSA-N -1 0 316.281 -0.227 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC001603035193 1018108249 /nfs/dbraw/zinc/10/82/49/1018108249.db2.gz NVVUXLNDIYCYPT-QMMMGPOBSA-N -1 0 315.370 -0.273 20 0 DBADRM CC(=O)NCC(=O)NC1CC(CNc2ncc(C(=O)[O-])cn2)C1 ZINC001603042746 1018110130 /nfs/dbraw/zinc/11/01/30/1018110130.db2.gz QBIVFFASZSDVAS-UHFFFAOYSA-N -1 0 321.337 -0.382 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001603042911 1018110909 /nfs/dbraw/zinc/11/09/09/1018110909.db2.gz QJPIXGBCGBRUFS-SFYZADRCSA-N -1 0 309.326 -0.962 20 0 DBADRM CC(C)C[C@@H](NS(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)[O-] ZINC001603037704 1018111159 /nfs/dbraw/zinc/11/11/59/1018111159.db2.gz DXTYMPSEYYNGAO-NTCNTBNZSA-N -1 0 315.417 -0.106 20 0 DBADRM CC(=O)N[C@@H](CSCCN1C(=O)CN(C)C1=O)C(=O)[O-] ZINC001603056262 1018113775 /nfs/dbraw/zinc/11/37/75/1018113775.db2.gz HFLFCIGOTGLEGJ-QMMMGPOBSA-N -1 0 303.340 -0.797 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)Cc1nnc(C(C)(C)C)[nH]1)C(=O)[O-] ZINC001603055603 1018113853 /nfs/dbraw/zinc/11/38/53/1018113853.db2.gz SRGDQXJJFCSNJC-PPRQPISWSA-N -1 0 316.383 -0.060 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001603047583 1018113988 /nfs/dbraw/zinc/11/39/88/1018113988.db2.gz GCXUHOLFFMVPOC-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC001603055397 1018114651 /nfs/dbraw/zinc/11/46/51/1018114651.db2.gz NJKYDIXDADTOFG-HXNGOWOSSA-N -1 0 317.371 -0.734 20 0 DBADRM CC(=O)NCC(=O)N1C[C@H](Nc2ncc(C(=O)[O-])cn2)[C@@H](C)C1 ZINC001603043035 1018115003 /nfs/dbraw/zinc/11/50/03/1018115003.db2.gz YKMATACRDFXQBB-KWQFWETISA-N -1 0 321.337 -0.430 20 0 DBADRM CC(=O)Nc1cccc(CC(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001603078550 1018117164 /nfs/dbraw/zinc/11/71/64/1018117164.db2.gz NUZSSPDXXMXDBR-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)OCC(=O)C(=O)[O-] ZINC001603093206 1018117636 /nfs/dbraw/zinc/11/76/36/1018117636.db2.gz FAEJIWGSDNBIRH-SECBINFHSA-N -1 0 307.324 -0.710 20 0 DBADRM CC(C)O[C@@H]1CCCN(C(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC001603075777 1018117729 /nfs/dbraw/zinc/11/77/29/1018117729.db2.gz KJIGYWIOOAQNBH-LLVKDONJSA-N -1 0 316.354 -0.380 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001603087505 1018118907 /nfs/dbraw/zinc/11/89/07/1018118907.db2.gz GEDFWDCUAQYQNB-JTQLQIEISA-N -1 0 311.381 -0.181 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC001603120709 1018119481 /nfs/dbraw/zinc/11/94/81/1018119481.db2.gz OBPAFHCZOJFDKF-ZCFIWIBFSA-N -1 0 311.269 -0.158 20 0 DBADRM CC(C)(C)n1nnc(CCn2cnc(-c3nnn[n-]3)cc2=O)n1 ZINC001603134966 1018121581 /nfs/dbraw/zinc/12/15/81/1018121581.db2.gz DIUNGZCYZKXLNK-UHFFFAOYSA-N -1 0 316.329 -0.592 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001603124585 1018123815 /nfs/dbraw/zinc/12/38/15/1018123815.db2.gz FKJMBFZFEDOIGK-VIFPVBQESA-N -1 0 304.368 -0.076 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NCCC(=O)NC(C)(C)C)C(=O)[O-] ZINC001603145461 1018126022 /nfs/dbraw/zinc/12/60/22/1018126022.db2.gz RHMXTNQPBQRSQJ-VIFPVBQESA-N -1 0 315.370 -0.414 20 0 DBADRM COCCC(=O)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001499589999 1018126764 /nfs/dbraw/zinc/12/67/64/1018126764.db2.gz NOYRZQXZYJUPLH-AWEZNQCLSA-N -1 0 309.370 -0.029 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NC1CCC(C)(O)CC1)C(=O)[O-] ZINC001603144600 1018128527 /nfs/dbraw/zinc/12/85/27/1018128527.db2.gz CATIDOAZGQTCHK-NAUIOFCNSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)[C@H](C)S(C)(=O)=O ZINC001603147628 1018130134 /nfs/dbraw/zinc/13/01/34/1018130134.db2.gz FIBVKUPKDKBTHU-IMSYWVGJSA-N -1 0 307.368 -0.244 20 0 DBADRM C[C@H](CN(C)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC001603150266 1018131114 /nfs/dbraw/zinc/13/11/14/1018131114.db2.gz PANKSFZYUIUPJQ-VWYCJHECSA-N -1 0 315.370 -0.016 20 0 DBADRM C[C@@H](C(=O)N[C@H](Cn1cncn1)C(=O)[O-])N1CCSCC1 ZINC001603154383 1018131741 /nfs/dbraw/zinc/13/17/41/1018131741.db2.gz COYVIYCIVPGJPS-VHSXEESVSA-N -1 0 313.383 -0.715 20 0 DBADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])C1CC1)n1cnc2c1ncnc2N ZINC001603149108 1018131825 /nfs/dbraw/zinc/13/18/25/1018131825.db2.gz NNEOULPVCDYMTI-XPUUQOCRSA-N -1 0 304.310 -0.051 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC2(C1)OCCO2)C(=O)[O-] ZINC001603145948 1018132637 /nfs/dbraw/zinc/13/26/37/1018132637.db2.gz XVRDTYLGPFLGTF-VIFPVBQESA-N -1 0 300.311 -0.859 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](S(C)(=O)=O)CC1 ZINC001603161330 1018133999 /nfs/dbraw/zinc/13/39/99/1018133999.db2.gz QLLGDCNRPIXSAE-NXEZZACHSA-N -1 0 306.384 -0.525 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001603199999 1018143790 /nfs/dbraw/zinc/14/37/90/1018143790.db2.gz YYAFBXUNFKWBTA-VIFPVBQESA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@@H](CN1CCCC1=O)n1nnnc1N1CC[C@H](C(=O)[O-])C1 ZINC001603158937 1018135028 /nfs/dbraw/zinc/13/50/28/1018135028.db2.gz LZQGQMDEMPLLIS-UWVGGRQHSA-N -1 0 308.342 -0.233 20 0 DBADRM C[C@H](CN(C)c1nnnn1[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001603158903 1018136785 /nfs/dbraw/zinc/13/67/85/1018136785.db2.gz KGXUNZUQQVTNJY-SCZZXKLOSA-N -1 0 308.342 -0.234 20 0 DBADRM C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1N)C(=O)[O-] ZINC001603168949 1018138984 /nfs/dbraw/zinc/13/89/84/1018138984.db2.gz CIZSIXFOJTVOGP-MRVPVSSYSA-N -1 0 315.351 -0.616 20 0 DBADRM C[C@@H](C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)[C@@H]1CCCO1 ZINC001603167280 1018138992 /nfs/dbraw/zinc/13/89/92/1018138992.db2.gz RVQSDNSWUZSVDP-KEPMVKOISA-N -1 0 319.379 -0.194 20 0 DBADRM C[C@@H](CNC(=O)NCCN1CCC2(C1)OCCO2)C(=O)[O-] ZINC001603184056 1018139493 /nfs/dbraw/zinc/13/94/93/1018139493.db2.gz RLXZWSCJKUMNOC-JTQLQIEISA-N -1 0 301.343 -0.545 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H](C)n1cncn1 ZINC001603174313 1018140117 /nfs/dbraw/zinc/14/01/17/1018140117.db2.gz LBEPVIKMKXABIX-BDAKNGLRSA-N -1 0 319.325 -0.634 20 0 DBADRM C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001603199951 1018143218 /nfs/dbraw/zinc/14/32/18/1018143218.db2.gz WCJHBIZAMISGFP-DCAQKATOSA-N -1 0 322.383 -0.436 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1)C(=O)[O-] ZINC001603185079 1018145156 /nfs/dbraw/zinc/14/51/56/1018145156.db2.gz NQFKEKNJCXXJFB-BIMULSAOSA-N -1 0 321.333 -0.183 20 0 DBADRM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001603312366 1018162086 /nfs/dbraw/zinc/16/20/86/1018162086.db2.gz DDBDFWBHLWHZCS-CHWFTXMASA-N -1 0 303.355 -0.107 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C1(S(C)(=O)=O)CC1 ZINC001603218848 1018146683 /nfs/dbraw/zinc/14/66/83/1018146683.db2.gz JHHSGTUBJCCFLL-XPUUQOCRSA-N -1 0 304.324 -0.702 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001603208647 1018147295 /nfs/dbraw/zinc/14/72/95/1018147295.db2.gz XVVGRSIQTAPATP-WDEREUQCSA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)c1ncon1 ZINC001603217057 1018147442 /nfs/dbraw/zinc/14/74/42/1018147442.db2.gz XSRYBQCFIKZIKH-ZETCQYMHSA-N -1 0 317.323 -0.474 20 0 DBADRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])CCCO1)C1(S(C)(=O)=O)CC1 ZINC001603215656 1018147553 /nfs/dbraw/zinc/14/75/53/1018147553.db2.gz JQQGCWWGLNBYHO-PELKAZGASA-N -1 0 305.352 -0.298 20 0 DBADRM COCCOCCN1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001499654792 1018147724 /nfs/dbraw/zinc/14/77/24/1018147724.db2.gz PQSQZPNBFIRUEH-UHFFFAOYSA-N -1 0 312.370 -0.157 20 0 DBADRM C[C@H](NC(=O)C1(C(=O)[O-])CCC1)c1nnc2c(=O)[nH]ccn21 ZINC001603215351 1018147983 /nfs/dbraw/zinc/14/79/83/1018147983.db2.gz DWLDOBADYRSFFD-ZETCQYMHSA-N -1 0 305.294 -0.150 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001603208645 1018148129 /nfs/dbraw/zinc/14/81/29/1018148129.db2.gz XVVGRSIQTAPATP-GHMZBOCLSA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@@H](C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O)S(C)(=O)=O ZINC001603220536 1018148531 /nfs/dbraw/zinc/14/85/31/1018148531.db2.gz GVDJQYDFNAIRIK-JGVFFNPUSA-N -1 0 307.324 -0.962 20 0 DBADRM C[C@H](NC(=O)[C@H](CO)NC(N)=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603215931 1018148789 /nfs/dbraw/zinc/14/87/89/1018148789.db2.gz LPQHPHCFHSHYNV-MAUMQABQSA-N -1 0 301.343 -0.733 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ccc[nH]1 ZINC001603210520 1018148850 /nfs/dbraw/zinc/14/88/50/1018148850.db2.gz HJHCXAZDMBYUFZ-FEUHOPSXSA-N -1 0 321.333 -0.249 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cnn(C)c1 ZINC001603210581 1018148878 /nfs/dbraw/zinc/14/88/78/1018148878.db2.gz JRUVAEFBCXVXSV-XPTSAGLGSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1nnc2c(=O)[nH]ccn21 ZINC001603234996 1018149381 /nfs/dbraw/zinc/14/93/81/1018149381.db2.gz ZZBPLDMCIYCREI-XLPZGREQSA-N -1 0 305.294 -0.294 20 0 DBADRM CC(C)(C)n1cc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])cn1 ZINC001603256535 1018149637 /nfs/dbraw/zinc/14/96/37/1018149637.db2.gz RGDZVUPIESPAFF-ZDUSSCGKSA-N -1 0 312.326 -0.472 20 0 DBADRM CC(C)[C@@H](F)C(=O)NCCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001603225839 1018149783 /nfs/dbraw/zinc/14/97/83/1018149783.db2.gz XAUVSRPHZMTBAS-SNVBAGLBSA-N -1 0 322.348 -0.009 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)COC(=O)c1ccc(-n2cnnn2)cn1 ZINC001603242147 1018150023 /nfs/dbraw/zinc/15/00/23/1018150023.db2.gz OTOZLTHCCIWZSU-UHFFFAOYSA-N -1 0 319.277 -0.106 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)COC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001603242353 1018150716 /nfs/dbraw/zinc/15/07/16/1018150716.db2.gz QFXPHGNBWVYGKL-UHFFFAOYSA-N -1 0 314.294 -0.460 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2)C(=O)[O-] ZINC001603256533 1018151759 /nfs/dbraw/zinc/15/17/59/1018151759.db2.gz RAICXBAFTANMNF-CQSZACIVSA-N -1 0 322.273 -0.753 20 0 DBADRM CC(C)[C@H]1CN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001603245173 1018152370 /nfs/dbraw/zinc/15/23/70/1018152370.db2.gz FZKGJCOLURIALQ-VHSXEESVSA-N -1 0 320.357 -0.097 20 0 DBADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)[C@@H](C)N1CCOCC1 ZINC001603234498 1018152485 /nfs/dbraw/zinc/15/24/85/1018152485.db2.gz PLHOQVAJXSNLKM-NXEZZACHSA-N -1 0 310.354 -0.043 20 0 DBADRM CC(C)(C(=O)N[C@H](CC1OCCO1)C(=O)[O-])S(C)(=O)=O ZINC001603235711 1018152670 /nfs/dbraw/zinc/15/26/70/1018152670.db2.gz VDVXXRRTBXAHGD-SSDOTTSWSA-N -1 0 309.340 -0.858 20 0 DBADRM C[C@H](O)CCCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603265196 1018154973 /nfs/dbraw/zinc/15/49/73/1018154973.db2.gz GOXDRTIGBWXYMQ-QWRGUYRKSA-N -1 0 315.370 -0.088 20 0 DBADRM C[C@@](O)(CNC(=O)CCCNC(=O)c1cccnc1)C(=O)[O-] ZINC001603257214 1018155132 /nfs/dbraw/zinc/15/51/32/1018155132.db2.gz RYKIMWFQSDNGRM-CQSZACIVSA-N -1 0 309.322 -0.457 20 0 DBADRM C[C@](O)(CNC(=O)c1cccn(CC(F)(F)F)c1=O)C(=O)[O-] ZINC001603261577 1018155793 /nfs/dbraw/zinc/15/57/93/1018155793.db2.gz HVWXTWJSZARSHD-NSHDSACASA-N -1 0 322.239 -0.024 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)C2(CC(=O)[O-])CCOCC2)CCO1 ZINC001603264719 1018155820 /nfs/dbraw/zinc/15/58/20/1018155820.db2.gz BOKIRDOJFGVWRL-MNOVXSKESA-N -1 0 301.339 -0.134 20 0 DBADRM C[C@@H](O)CCCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603265195 1018155897 /nfs/dbraw/zinc/15/58/97/1018155897.db2.gz GOXDRTIGBWXYMQ-MNOVXSKESA-N -1 0 315.370 -0.088 20 0 DBADRM C[C@](O)(CNC(=O)Nc1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC001603256669 1018156090 /nfs/dbraw/zinc/15/60/90/1018156090.db2.gz COKLTLGMVJAMST-ZDUSSCGKSA-N -1 0 309.278 -0.025 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001603265856 1018156439 /nfs/dbraw/zinc/15/64/39/1018156439.db2.gz NUHXAMNLRLRMNS-UWJYBYFXSA-N -1 0 312.366 -0.121 20 0 DBADRM CC(C)C[C@@H](O)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001603264634 1018156723 /nfs/dbraw/zinc/15/67/23/1018156723.db2.gz HMAGFWTYVYWHSN-SSDOTTSWSA-N -1 0 309.330 -0.515 20 0 DBADRM C[C@@H](O)CN(C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1CC1 ZINC001603265974 1018156854 /nfs/dbraw/zinc/15/68/54/1018156854.db2.gz PUDURGTYDLKIMU-JIMOISOXSA-N -1 0 324.377 -0.073 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001603292524 1018158310 /nfs/dbraw/zinc/15/83/10/1018158310.db2.gz GJIIFAYBCHUIDI-AMIZOPFISA-N -1 0 323.309 -0.534 20 0 DBADRM C[C@H](c1ccccc1)[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C(N)=O ZINC001603286987 1018159003 /nfs/dbraw/zinc/15/90/03/1018159003.db2.gz OEHJEDIKOVKIPY-ZHAHWJHGSA-N -1 0 319.317 -0.010 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCO1 ZINC001603266772 1018159016 /nfs/dbraw/zinc/15/90/16/1018159016.db2.gz ZIRCAYQIJKBKHS-WPRPVWTQSA-N -1 0 323.305 -0.674 20 0 DBADRM C[C@@H](O)CCCN1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001499702823 1018160741 /nfs/dbraw/zinc/16/07/41/1018160741.db2.gz KPWYZRYQKPELEX-MRVPVSSYSA-N -1 0 311.342 -0.800 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC001603292912 1018160709 /nfs/dbraw/zinc/16/07/09/1018160709.db2.gz SFRMMQNNZQGPOD-JOYOIKCWSA-N -1 0 319.383 -0.632 20 0 DBADRM CC(C)CO[C@H](C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603299533 1018161555 /nfs/dbraw/zinc/16/15/55/1018161555.db2.gz LVEUPQKWVACAPT-SECBINFHSA-N -1 0 308.346 -0.365 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)C1 ZINC001603297386 1018161616 /nfs/dbraw/zinc/16/16/16/1018161616.db2.gz SUBMTBJUUIZSQE-XPTSAGLGSA-N -1 0 311.338 -0.967 20 0 DBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001603311178 1018162407 /nfs/dbraw/zinc/16/24/07/1018162407.db2.gz WKEAXONCENIINR-SCZZXKLOSA-N -1 0 301.343 -0.229 20 0 DBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001603311175 1018163099 /nfs/dbraw/zinc/16/30/99/1018163099.db2.gz WKEAXONCENIINR-PSASIEDQSA-N -1 0 301.343 -0.229 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@](F)(CO)C2)C1 ZINC001603297375 1018163180 /nfs/dbraw/zinc/16/31/80/1018163180.db2.gz SQZUOPWGPUJCTC-CHWSQXEVSA-N -1 0 302.302 -0.758 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](CC(N)=O)C2)C1 ZINC001603297387 1018163588 /nfs/dbraw/zinc/16/35/88/1018163588.db2.gz SUBMTBJUUIZSQE-YMTOWFKASA-N -1 0 311.338 -0.967 20 0 DBADRM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001603298577 1018163629 /nfs/dbraw/zinc/16/36/29/1018163629.db2.gz NMFLNMLKBXXIMZ-DTWKUNHWSA-N -1 0 318.395 -0.114 20 0 DBADRM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)CC(=O)[O-] ZINC001603298579 1018163772 /nfs/dbraw/zinc/16/37/72/1018163772.db2.gz NMFLNMLKBXXIMZ-RKDXNWHRSA-N -1 0 318.395 -0.114 20 0 DBADRM CC1(C)C[S@@](=O)CCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001603334389 1018165179 /nfs/dbraw/zinc/16/51/79/1018165179.db2.gz CTEPKMLOFCWODN-UGZDLDLSSA-N -1 0 324.424 -0.377 20 0 DBADRM CC1(C)COCCN1CCNC(=O)NCCOCC(=O)[O-] ZINC001603335367 1018165355 /nfs/dbraw/zinc/16/53/55/1018165355.db2.gz ZSNTWBXIZPZKIN-UHFFFAOYSA-N -1 0 303.359 -0.502 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC(O)(COCCO)CC1 ZINC001603321954 1018167160 /nfs/dbraw/zinc/16/71/60/1018167160.db2.gz FERVSCFLXGLTIW-HNNXBMFYSA-N -1 0 315.366 -0.150 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC(C(=O)NCCO)CC1 ZINC001603321206 1018168070 /nfs/dbraw/zinc/16/80/70/1018168070.db2.gz BBAHCQBWIRCNAR-OAHLLOKOSA-N -1 0 312.366 -0.166 20 0 DBADRM CC(C)(C)C[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)C(=O)[O-] ZINC001603323185 1018168531 /nfs/dbraw/zinc/16/85/31/1018168531.db2.gz UNFWSWGJECBRKG-JTQLQIEISA-N -1 0 313.354 -0.037 20 0 DBADRM C[C@@]1(CNC(=O)NCCOCCOCC(=O)[O-])CCCO1 ZINC001603340282 1018170699 /nfs/dbraw/zinc/17/06/99/1018170699.db2.gz YNSMDJAOPXQHJS-ZDUSSCGKSA-N -1 0 304.343 -0.028 20 0 DBADRM CC1(O)CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CC1 ZINC001603347270 1018171976 /nfs/dbraw/zinc/17/19/76/1018171976.db2.gz AKEBHKOWYZGZFC-UHFFFAOYSA-N -1 0 319.379 -0.361 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)O1 ZINC001603336495 1018172550 /nfs/dbraw/zinc/17/25/50/1018172550.db2.gz KBDWBKIQOZICCL-ZJUUUORDSA-N -1 0 314.338 -0.423 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001603360651 1018173742 /nfs/dbraw/zinc/17/37/42/1018173742.db2.gz VTJCLCPHGPECJQ-VHSXEESVSA-N -1 0 311.338 -0.112 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ncn(C)n2)C1 ZINC001603355657 1018173754 /nfs/dbraw/zinc/17/37/54/1018173754.db2.gz VJTPGKMTVFVKKI-DTWKUNHWSA-N -1 0 309.326 -1.000 20 0 DBADRM CC1=NO[C@@H](CNC(=O)NCCOCCOCC(=O)[O-])C1 ZINC001603352387 1018173846 /nfs/dbraw/zinc/17/38/46/1018173846.db2.gz PVFLUYZXGWZRQI-SNVBAGLBSA-N -1 0 303.315 -0.432 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ncn(C)n2)C1 ZINC001603355656 1018174376 /nfs/dbraw/zinc/17/43/76/1018174376.db2.gz VJTPGKMTVFVKKI-BDAKNGLRSA-N -1 0 309.326 -1.000 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001603356133 1018174440 /nfs/dbraw/zinc/17/44/40/1018174440.db2.gz WLZCDDKYOVKHDB-SFYZADRCSA-N -1 0 316.339 -0.990 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001603359984 1018174463 /nfs/dbraw/zinc/17/44/63/1018174463.db2.gz HPEPHSYHLRHADI-VHSXEESVSA-N -1 0 319.321 -0.540 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nccn2C)C1 ZINC001603355403 1018174810 /nfs/dbraw/zinc/17/48/10/1018174810.db2.gz QYPZUOWXFUUBOJ-ZJUUUORDSA-N -1 0 308.338 -0.395 20 0 DBADRM CC(C)(C)OC(=O)CCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001603364860 1018177820 /nfs/dbraw/zinc/17/78/20/1018177820.db2.gz FYMRFMUQJBRYMR-SECBINFHSA-N -1 0 314.338 -0.090 20 0 DBADRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])CCC(=O)NC(N)=O ZINC001603373274 1018178053 /nfs/dbraw/zinc/17/80/53/1018178053.db2.gz QAVYMXHLCMTOHF-UHFFFAOYSA-N -1 0 317.342 -0.310 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nnnn2CCN2CCOCC2)C1 ZINC001603371998 1018178658 /nfs/dbraw/zinc/17/86/58/1018178658.db2.gz KNWMPWYUPCSJQV-NEPJUHHUSA-N -1 0 324.385 -0.448 20 0 DBADRM C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)N1CCN(C)CC1 ZINC001603390967 1018182330 /nfs/dbraw/zinc/18/23/30/1018182330.db2.gz DWMFBHKNRPOGGI-QWRGUYRKSA-N -1 0 305.400 -0.336 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)c2cn(CC(=O)[O-])nn2)CS1(=O)=O ZINC001603398195 1018183067 /nfs/dbraw/zinc/18/30/67/1018183067.db2.gz UZUFCLGNKJADOA-SFYZADRCSA-N -1 0 316.339 -0.942 20 0 DBADRM C[C@@H]1CCS(=O)(=O)CCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001603433200 1018184944 /nfs/dbraw/zinc/18/49/44/1018184944.db2.gz CSDDQEVHFRUOPJ-ZJUUUORDSA-N -1 0 304.368 -0.819 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(CCO)C2CCC2)CC[C@H]1C(=O)[O-] ZINC001603439528 1018185007 /nfs/dbraw/zinc/18/50/07/1018185007.db2.gz OYNXPYINASZWME-ZYHUDNBSSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CCCO2)C[C@@H](C)S1(=O)=O ZINC001603438747 1018185598 /nfs/dbraw/zinc/18/55/98/1018185598.db2.gz DWPFINWZPCTCPU-LNLATYFQSA-N -1 0 305.352 -0.346 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C[C@H](CO)O1 ZINC001603440278 1018185737 /nfs/dbraw/zinc/18/57/37/1018185737.db2.gz VVRYICDGCYOQIA-LDYMZIIASA-N -1 0 323.305 -0.674 20 0 DBADRM C[C@@H]1CN(CCNC(=O)c2cc(C(=O)[O-])nn2C)[C@H](C)CO1 ZINC001603461989 1018188022 /nfs/dbraw/zinc/18/80/22/1018188022.db2.gz WFVWWGUCWZMMAB-NXEZZACHSA-N -1 0 310.354 -0.043 20 0 DBADRM C[C@@H]1CN(CCO)CCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603460445 1018189962 /nfs/dbraw/zinc/18/99/62/1018189962.db2.gz GCISUCAISLNILC-LLVKDONJSA-N -1 0 323.349 -0.929 20 0 DBADRM CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)COCC(=O)[O-] ZINC001603513094 1018197913 /nfs/dbraw/zinc/19/79/13/1018197913.db2.gz VVKSCWFYZGFTJO-DTWKUNHWSA-N -1 0 304.368 -0.096 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)NC[C@@H](O)CO ZINC001603485686 1018191542 /nfs/dbraw/zinc/19/15/42/1018191542.db2.gz ZYNKMMSBMJPNIT-RKDXNWHRSA-N -1 0 320.342 -0.786 20 0 DBADRM C[C@@H]1CN(c2nnnn2CCC(=O)N(C)C)CC[C@H]1C(=O)[O-] ZINC001603471221 1018191899 /nfs/dbraw/zinc/19/18/99/1018191899.db2.gz ZPLMEWBVKITHAC-NXEZZACHSA-N -1 0 310.358 -0.302 20 0 DBADRM C[C@H](C[C@H]1CCOC1)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001603467109 1018192084 /nfs/dbraw/zinc/19/20/84/1018192084.db2.gz TXAGEQTUWZPFIZ-OPRDCNLKSA-N -1 0 320.357 -0.050 20 0 DBADRM C[C@@H]1COCC[C@H]1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001603474265 1018193086 /nfs/dbraw/zinc/19/30/86/1018193086.db2.gz SXFROGLPWKWQTF-IEBDPFPHSA-N -1 0 317.367 -0.110 20 0 DBADRM C[C@H]1c2cccn2CCN1C(=O)C(=O)NCCOCC(=O)[O-] ZINC001603482865 1018193158 /nfs/dbraw/zinc/19/31/58/1018193158.db2.gz SDGKVKMIEMLIOG-JTQLQIEISA-N -1 0 309.322 -0.391 20 0 DBADRM C[C@@H]1CSC[C@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603472911 1018193323 /nfs/dbraw/zinc/19/33/23/1018193323.db2.gz HNPQULYBUFIYOT-HTQZYQBOSA-N -1 0 312.351 -0.226 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)NN1CCOCC1 ZINC001603477975 1018193650 /nfs/dbraw/zinc/19/36/50/1018193650.db2.gz DNHVCNOQDKNERX-VIFPVBQESA-N -1 0 317.342 -0.282 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001603473865 1018193772 /nfs/dbraw/zinc/19/37/72/1018193772.db2.gz QQIFMMJTCIHQPF-RHYQMDGZSA-N -1 0 301.339 -0.136 20 0 DBADRM CC(C)(C)OC(=O)N[C@H]1C[C@H]1C(=O)NC[C@H](O)CC(=O)[O-] ZINC001603490736 1018194283 /nfs/dbraw/zinc/19/42/83/1018194283.db2.gz LVCMHSAMVJTSDK-HLTSFMKQSA-N -1 0 302.327 -0.149 20 0 DBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001603509180 1018196195 /nfs/dbraw/zinc/19/61/95/1018196195.db2.gz NIONUAMNKJRQOV-UHFFFAOYSA-N -1 0 316.354 -0.646 20 0 DBADRM CC[C@](C)(O)CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603508109 1018197374 /nfs/dbraw/zinc/19/73/74/1018197374.db2.gz GRJSSJPWIDBULM-HZMBPMFUSA-N -1 0 315.370 -0.088 20 0 DBADRM C[C@H](CNC(=O)CC(C)(C)O)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001603527888 1018197671 /nfs/dbraw/zinc/19/76/71/1018197671.db2.gz GTPVOXPRMFEDOA-MRVPVSSYSA-N -1 0 320.357 -0.844 20 0 DBADRM CC[C@H](C(=O)OC)C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001603504695 1018197831 /nfs/dbraw/zinc/19/78/31/1018197831.db2.gz LALRYFZYULGZCC-ZANVPECISA-N -1 0 303.311 -0.486 20 0 DBADRM C[C@@H](CCO)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603495505 1018198624 /nfs/dbraw/zinc/19/86/24/1018198624.db2.gz QWSCBGZYQFHHBN-ZETCQYMHSA-N -1 0 301.328 -0.244 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001603512174 1018198945 /nfs/dbraw/zinc/19/89/45/1018198945.db2.gz HEWSBYLFKLONOF-UWVGGRQHSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001603509464 1018198964 /nfs/dbraw/zinc/19/89/64/1018198964.db2.gz YSXCOTFTYMEXIJ-SECBINFHSA-N -1 0 318.370 -0.352 20 0 DBADRM CC[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(C)(C)O ZINC001603578601 1018205257 /nfs/dbraw/zinc/20/52/57/1018205257.db2.gz RIEMUHDPBOKLQR-UWVGGRQHSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@H](COCC1CC1)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001603569154 1018206976 /nfs/dbraw/zinc/20/69/76/1018206976.db2.gz LEWNSRPZMITWLN-MRVPVSSYSA-N -1 0 306.330 -0.611 20 0 DBADRM CC[C@H](CNC(=O)NCCn1cc(C(=O)OC)nn1)C(=O)[O-] ZINC001603560585 1018207280 /nfs/dbraw/zinc/20/72/80/1018207280.db2.gz CGKCJHIUDVBYNE-MRVPVSSYSA-N -1 0 313.314 -0.525 20 0 DBADRM CC(C)(C)n1nnc(CNC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)n1 ZINC001603574401 1018208108 /nfs/dbraw/zinc/20/81/08/1018208108.db2.gz WNIGSHWEWGRJTL-MBTKJCJQSA-N -1 0 308.342 -0.100 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)nn1 ZINC001603586564 1018211332 /nfs/dbraw/zinc/21/13/32/1018211332.db2.gz PESCEXROBGXDGL-BHDSKKPTSA-N -1 0 324.337 -0.778 20 0 DBADRM CC[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)[C@@H](O)C(F)(F)F ZINC001603582137 1018212147 /nfs/dbraw/zinc/21/21/47/1018212147.db2.gz FZEWPTFRGWQEOM-SVGQVSJJSA-N -1 0 310.232 -0.206 20 0 DBADRM CC(C)(CNC(=O)NCCNC(=O)c1ccn[nH]1)CC(=O)[O-] ZINC001603631894 1018212989 /nfs/dbraw/zinc/21/29/89/1018212989.db2.gz FPJWQKVBYYIHEY-UHFFFAOYSA-N -1 0 311.342 -0.060 20 0 DBADRM CC[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC001603618803 1018213140 /nfs/dbraw/zinc/21/31/40/1018213140.db2.gz WCQVKCQXZIQQJW-MXWKQRLJSA-N -1 0 314.338 -0.628 20 0 DBADRM CCC[C@H](O)[C@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001603633791 1018213267 /nfs/dbraw/zinc/21/32/67/1018213267.db2.gz NTYGHRWRXRCTPS-RYUDHWBXSA-N -1 0 324.333 -0.039 20 0 DBADRM CC[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC001603618800 1018213640 /nfs/dbraw/zinc/21/36/40/1018213640.db2.gz WCQVKCQXZIQQJW-AXFHLTTASA-N -1 0 314.338 -0.628 20 0 DBADRM CC[C@@H]1CN(C(=O)[C@@](C)(OC)C(=O)[O-])C[C@H](C)S1(=O)=O ZINC001603625617 1018213922 /nfs/dbraw/zinc/21/39/22/1018213922.db2.gz ZWPGGGDMEDEZEL-YGOYTEALSA-N -1 0 307.368 -0.100 20 0 DBADRM CC(C)(CNC(=O)N1CCC(OCC(N)=O)CC1)C(=O)[O-] ZINC001603626334 1018214006 /nfs/dbraw/zinc/21/40/06/1018214006.db2.gz GPJMNIWTJMZHFH-UHFFFAOYSA-N -1 0 301.343 -0.227 20 0 DBADRM CC(C)(CNC(=O)C(=O)NCCCCC(=O)[O-])S(C)(=O)=O ZINC001603619327 1018214689 /nfs/dbraw/zinc/21/46/89/1018214689.db2.gz LGVNPKNUXIBGFI-UHFFFAOYSA-N -1 0 322.383 -0.703 20 0 DBADRM CC/C=C\Cn1nnnc1N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001603628405 1018214979 /nfs/dbraw/zinc/21/49/79/1018214979.db2.gz LCYNNXRRUMNZOZ-DSYXLKISSA-N -1 0 311.342 -0.054 20 0 DBADRM CCC[C@H](C)C(=O)NCCNC(=O)c1cn(CC(=O)[O-])nn1 ZINC001603633086 1018215038 /nfs/dbraw/zinc/21/50/38/1018215038.db2.gz VMQMUKWQNRPIMN-VIFPVBQESA-N -1 0 311.342 -0.355 20 0 DBADRM CCCCN(CCO)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001603647324 1018215765 /nfs/dbraw/zinc/21/57/65/1018215765.db2.gz GGTJTHGVKKIAHA-LLVKDONJSA-N -1 0 300.355 -0.069 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCC[N@H+](CC(=O)[O-])CC1)C(=O)[O-] ZINC001603654175 1018215998 /nfs/dbraw/zinc/21/59/98/1018215998.db2.gz OWGZAMZOUOZIOS-UHFFFAOYSA-N -1 0 322.383 -0.481 20 0 DBADRM CC(C)(CNS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001603644689 1018216729 /nfs/dbraw/zinc/21/67/29/1018216729.db2.gz KHVOBSRMQBSILD-VIFPVBQESA-N -1 0 304.368 -0.220 20 0 DBADRM CC(C)(CO)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001603647803 1018217254 /nfs/dbraw/zinc/21/72/54/1018217254.db2.gz XNFAECFHOVOFBR-AWEZNQCLSA-N -1 0 300.355 -0.607 20 0 DBADRM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)c1csnn1 ZINC001603679695 1018218678 /nfs/dbraw/zinc/21/86/78/1018218678.db2.gz WSYRZGPATUPNLV-BYPYZUCNSA-N -1 0 321.326 -0.309 20 0 DBADRM CCCN(CC(=O)[O-])[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001603666830 1018219731 /nfs/dbraw/zinc/21/97/31/1018219731.db2.gz UARRLENLQSHQQL-WDEREUQCSA-N -1 0 320.411 -0.183 20 0 DBADRM CC(C)(NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1)C(=O)[O-] ZINC001603668710 1018220150 /nfs/dbraw/zinc/22/01/50/1018220150.db2.gz HTGIIKUBYPLBGI-UHFFFAOYSA-N -1 0 307.306 -0.368 20 0 DBADRM CC(C)(O)C(C)(C)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001603687798 1018221846 /nfs/dbraw/zinc/22/18/46/1018221846.db2.gz IOXYJXSLEWRVON-UHFFFAOYSA-N -1 0 303.359 -0.184 20 0 DBADRM CC(C)(O)CC(=O)NC/C=C/CNc1ccnc(C(=O)[O-])n1 ZINC001603689463 1018221865 /nfs/dbraw/zinc/22/18/65/1018221865.db2.gz HVANLFXHNRIALM-ONEGZZNKSA-N -1 0 308.338 -0.158 20 0 DBADRM CC(C)(O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC001603687445 1018223184 /nfs/dbraw/zinc/22/31/84/1018223184.db2.gz GYXNXSYHJJDTAR-QWRGUYRKSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H](CNC(=O)CC1CC1)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001500021623 1018228417 /nfs/dbraw/zinc/22/84/17/1018228417.db2.gz CQDCXDSLCRRIKT-SECBINFHSA-N -1 0 322.365 -0.232 20 0 DBADRM CCCn1nnnc1N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001603701623 1018229449 /nfs/dbraw/zinc/22/94/49/1018229449.db2.gz OXAUEFDURRZTOB-JTQLQIEISA-N -1 0 322.369 -0.015 20 0 DBADRM CC(C)[C@](C)(O)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001603717700 1018230250 /nfs/dbraw/zinc/23/02/50/1018230250.db2.gz UJBLHDHOANQHLF-CYBMUJFWSA-N -1 0 312.326 -0.420 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001603706385 1018231115 /nfs/dbraw/zinc/23/11/15/1018231115.db2.gz QSWLOZORJPBBOO-AXFHLTTASA-N -1 0 300.355 -0.121 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603725427 1018232359 /nfs/dbraw/zinc/23/23/59/1018232359.db2.gz NSWIUXISERVHJA-NXEZZACHSA-N -1 0 313.354 -0.707 20 0 DBADRM CCN(CC)C(=O)Cn1nnnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001603723549 1018232656 /nfs/dbraw/zinc/23/26/56/1018232656.db2.gz XTLBDWJMDGBUOU-JTQLQIEISA-N -1 0 310.358 -0.158 20 0 DBADRM CC(C)[C@H](C)N(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001603720878 1018233213 /nfs/dbraw/zinc/23/32/13/1018233213.db2.gz FMMDCDARXVNYOP-AXFHLTTASA-N -1 0 300.355 -0.217 20 0 DBADRM CCN(CCCNC(=O)N[C@H](C)CC(=O)[O-])S(C)(=O)=O ZINC001603739122 1018233888 /nfs/dbraw/zinc/23/38/88/1018233888.db2.gz IUARXRIWSUYRFJ-SECBINFHSA-N -1 0 309.388 -0.180 20 0 DBADRM CC(C)[C@@H]1C(=O)NCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001603750406 1018235819 /nfs/dbraw/zinc/23/58/19/1018235819.db2.gz KUKXGJOJYDFHAC-GFCCVEGCSA-N -1 0 321.333 -0.471 20 0 DBADRM CC(C)[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1 ZINC001603752315 1018236963 /nfs/dbraw/zinc/23/69/63/1018236963.db2.gz AEFNPAVUJMRPLD-UTUOFQBUSA-N -1 0 312.366 -0.215 20 0 DBADRM CCN1CCC[C@H](NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1=O ZINC001603760274 1018237372 /nfs/dbraw/zinc/23/73/72/1018237372.db2.gz JJLJWVULYMDPMR-ZJUUUORDSA-N -1 0 313.354 -0.707 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H](CC)C(=O)[O-])C1 ZINC001603771322 1018238648 /nfs/dbraw/zinc/23/86/48/1018238648.db2.gz FKTYWZVESYSIGP-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)[C@H]1NC(=O)O[C@H]1C)C(=O)[O-] ZINC001603777160 1018238709 /nfs/dbraw/zinc/23/87/09/1018238709.db2.gz QWMZYKGJYIFAFS-NRPADANISA-N -1 0 316.310 -0.358 20 0 DBADRM CCNC(=O)c1ccc(CNC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC001603771386 1018239504 /nfs/dbraw/zinc/23/95/04/1018239504.db2.gz MCOGJWWGPCMHQB-UHFFFAOYSA-N -1 0 321.333 -0.357 20 0 DBADRM CCOC(=O)[C@@H](C[C@H]1CCCO1)NCC(=O)NCC(=O)[O-] ZINC001603779740 1018240145 /nfs/dbraw/zinc/24/01/45/1018240145.db2.gz GWPLZGJDNBKMJM-NXEZZACHSA-N -1 0 302.327 -0.722 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@H](CC)C(=O)[O-])C1 ZINC001603771323 1018240188 /nfs/dbraw/zinc/24/01/88/1018240188.db2.gz FKTYWZVESYSIGP-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@]1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCCO1 ZINC001603801805 1018240990 /nfs/dbraw/zinc/24/09/90/1018240990.db2.gz ACBJJSKPZYMBHP-LBPRGKRZSA-N -1 0 306.330 -0.466 20 0 DBADRM CCOC(=O)[C@]1(C)CN([C@@H]2CCN(CC(=O)[O-])C2=O)CCO1 ZINC001603786832 1018241745 /nfs/dbraw/zinc/24/17/45/1018241745.db2.gz LENNZENPOQQOBG-YGRLFVJLSA-N -1 0 314.338 -0.674 20 0 DBADRM CCOC(=O)N[C@@H]1CCCN([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001603803739 1018242411 /nfs/dbraw/zinc/24/24/11/1018242411.db2.gz YKUNWBBMAQFZCU-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM CC(C)CCC(=O)NCC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001603787774 1018243137 /nfs/dbraw/zinc/24/31/37/1018243137.db2.gz SKQPIPONKATMJY-GHMZBOCLSA-N -1 0 300.355 -0.167 20 0 DBADRM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC001603800501 1018243399 /nfs/dbraw/zinc/24/33/99/1018243399.db2.gz DAMRUMGWVNIOCN-OPRDCNLKSA-N -1 0 317.342 -0.545 20 0 DBADRM CCOC(=O)N1CCCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001603803653 1018243477 /nfs/dbraw/zinc/24/34/77/1018243477.db2.gz SEIYBLBDXMVPLS-UHFFFAOYSA-N -1 0 322.383 -0.350 20 0 DBADRM CCOC(=O)COCCNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001603796324 1018243509 /nfs/dbraw/zinc/24/35/09/1018243509.db2.gz CHIZLEYBHOCTJL-SECBINFHSA-N -1 0 304.299 -0.939 20 0 DBADRM CCOC(=O)N1C[C@H](NC(=O)NC[C@H](C)C(=O)[O-])[C@@H](CO)C1 ZINC001603800498 1018243580 /nfs/dbraw/zinc/24/35/80/1018243580.db2.gz DAMRUMGWVNIOCN-AEJSXWLSSA-N -1 0 317.342 -0.545 20 0 DBADRM CCOC(=O)c1nc[nH]c1CNC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001603810256 1018246656 /nfs/dbraw/zinc/24/66/56/1018246656.db2.gz DQBREJSWCYPYNQ-ZDUSSCGKSA-N -1 0 311.294 -0.164 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2cnccc2-c2nn[nH]n2)C(=O)N1C ZINC001603831471 1018251126 /nfs/dbraw/zinc/25/11/26/1018251126.db2.gz YPKQXMKQCDPUHD-ZCFIWIBFSA-N -1 0 316.281 -0.811 20 0 DBADRM CC1=NO[C@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001603825300 1018251304 /nfs/dbraw/zinc/25/13/04/1018251304.db2.gz AYTFYNIXCLJHDC-ZETCQYMHSA-N -1 0 312.311 -0.097 20 0 DBADRM C[C@@H]1[C@@H](CO)CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001603835803 1018251561 /nfs/dbraw/zinc/25/15/61/1018251561.db2.gz OYCGUHRAGMLASK-RKDXNWHRSA-N -1 0 306.330 -0.922 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)Cc1ccc(N)cn1)C(=O)[O-] ZINC001603840793 1018252836 /nfs/dbraw/zinc/25/28/36/1018252836.db2.gz APFPMPARGIJVIW-LBPRGKRZSA-N -1 0 322.365 -0.062 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1ns[nH]c1=O)C(=O)[O-] ZINC001603841334 1018253152 /nfs/dbraw/zinc/25/31/52/1018253152.db2.gz COUZQJNVIKCFNQ-LURJTMIESA-N -1 0 316.339 -0.411 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCO[C@H](C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001603858052 1018253209 /nfs/dbraw/zinc/25/32/09/1018253209.db2.gz ZSGQVFDINNBMNC-HRDYMLBCSA-N -1 0 306.330 -0.297 20 0 DBADRM CCOc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])[nH]n1 ZINC001603857918 1018253667 /nfs/dbraw/zinc/25/36/67/1018253667.db2.gz VYLQKICARXGGKX-QMMMGPOBSA-N -1 0 317.323 -0.868 20 0 DBADRM C[C@H]1C[C@@H](CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001603845401 1018255108 /nfs/dbraw/zinc/25/51/08/1018255108.db2.gz CVOLXBGBQBEMFP-UWVGGRQHSA-N -1 0 320.357 -0.220 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)CO[C@H]1CCOC1)C(=O)[O-] ZINC001603841128 1018255529 /nfs/dbraw/zinc/25/55/29/1018255529.db2.gz ZLPXDPZJHJTNOE-QWRGUYRKSA-N -1 0 316.354 -0.476 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCn2cnc(-c3nnn[n-]3)n2)[C@@H](C)O1 ZINC001603846164 1018255753 /nfs/dbraw/zinc/25/57/53/1018255753.db2.gz SPZYPJMYLUDLGU-HLTSFMKQSA-N -1 0 306.330 -0.612 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001603894236 1018256545 /nfs/dbraw/zinc/25/65/45/1018256545.db2.gz LGAQMKMUNYIVRH-UHFFFAOYSA-N -1 0 316.339 -0.785 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001603869085 1018256573 /nfs/dbraw/zinc/25/65/73/1018256573.db2.gz BPRRCUCKINBBSR-VIFPVBQESA-N -1 0 317.371 -0.192 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001603894380 1018257017 /nfs/dbraw/zinc/25/70/17/1018257017.db2.gz OANMOCAWXCLUNY-VIFPVBQESA-N -1 0 321.355 -0.996 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC001603885376 1018257953 /nfs/dbraw/zinc/25/79/53/1018257953.db2.gz KHXPIMYRSRKMMI-NSHDSACASA-N -1 0 315.347 -0.061 20 0 DBADRM CC(C)N(CCC(=O)[O-])C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC001603879747 1018258334 /nfs/dbraw/zinc/25/83/34/1018258334.db2.gz URKOOFWLGOCGLO-UHFFFAOYSA-N -1 0 318.355 -0.758 20 0 DBADRM CC(C)N(C)CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001603868925 1018258501 /nfs/dbraw/zinc/25/85/01/1018258501.db2.gz XCGFPSUNTJSCFI-JOYOIKCWSA-N -1 0 306.384 -0.669 20 0 DBADRM C[C@H]1CCCCN1C(=O)Cn1cnc(-c2nnn[n-]2)cc1=O ZINC001603895983 1018259424 /nfs/dbraw/zinc/25/94/24/1018259424.db2.gz NNNDFZFXFBVGIN-VIFPVBQESA-N -1 0 303.326 -0.176 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)[C@@H](OC)C(=O)[O-])CC1 ZINC001603894952 1018259821 /nfs/dbraw/zinc/25/98/21/1018259821.db2.gz YZVMXYWMUFHHHT-SECBINFHSA-N -1 0 308.356 -0.984 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001603894831 1018259896 /nfs/dbraw/zinc/25/98/96/1018259896.db2.gz VFBLVFKKMRGLGH-SKDRFNHKSA-N -1 0 322.383 -0.736 20 0 DBADRM CC(C)NC(=O)OC1CN(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001603902651 1018260497 /nfs/dbraw/zinc/26/04/97/1018260497.db2.gz GECLIHFLDNHVSG-UHFFFAOYSA-N -1 0 310.310 -0.073 20 0 DBADRM CC(C)NS(=O)(=O)N1CCN(C(=O)[C@H](C)CC(=O)[O-])CC1 ZINC001603905556 1018260889 /nfs/dbraw/zinc/26/08/89/1018260889.db2.gz WVCUWXZXZJTMRW-SNVBAGLBSA-N -1 0 321.399 -0.516 20 0 DBADRM C[C@@H]1CCCN(C(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001603901061 1018261037 /nfs/dbraw/zinc/26/10/37/1018261037.db2.gz RWSQANZUQUWZID-MRVPVSSYSA-N -1 0 319.325 -0.613 20 0 DBADRM CC(C)NC(=O)NC(=O)[C@H](C)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001603900746 1018261589 /nfs/dbraw/zinc/26/15/89/1018261589.db2.gz VXCGTSMJEIYKOA-UTLUCORTSA-N -1 0 301.343 -0.217 20 0 DBADRM C[C@H]1CCOCCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603909177 1018262139 /nfs/dbraw/zinc/26/21/39/1018262139.db2.gz CESMNNKOZRYZLQ-VIFPVBQESA-N -1 0 321.345 -0.721 20 0 DBADRM C[C@@H](C(=O)N1CCCO[C@H](C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001603914082 1018262168 /nfs/dbraw/zinc/26/21/68/1018262168.db2.gz RRDFHNKXIWCUOS-BDAKNGLRSA-N -1 0 306.330 -0.343 20 0 DBADRM CC(C)OC1CCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001603915378 1018262371 /nfs/dbraw/zinc/26/23/71/1018262371.db2.gz BSVXAOVNAWBYRC-JTQLQIEISA-N -1 0 304.318 -0.059 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001603916399 1018262795 /nfs/dbraw/zinc/26/27/95/1018262795.db2.gz GDGOYPHPUXZHOE-IUCAKERBSA-N -1 0 315.326 -0.689 20 0 DBADRM C[C@H]1COCCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001603946491 1018266312 /nfs/dbraw/zinc/26/63/12/1018266312.db2.gz CGRKZNASCICQQY-SECBINFHSA-N -1 0 324.366 -0.081 20 0 DBADRM CCc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])no1 ZINC001603967511 1018269141 /nfs/dbraw/zinc/26/91/41/1018269141.db2.gz FOSBLGLTKGJDDY-VIFPVBQESA-N -1 0 302.308 -0.439 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCN([S@@](C)(=N)=O)CC1)C(=O)[O-] ZINC001603972160 1018276677 /nfs/dbraw/zinc/27/66/77/1018276677.db2.gz HXMZZSFKDLUWBA-WIUDPPPLSA-N -1 0 320.415 -0.579 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@@H]1CCN(C)C1=O)C(=O)[O-] ZINC001603973465 1018277165 /nfs/dbraw/zinc/27/71/65/1018277165.db2.gz JULTUARTTSXLSM-SCZZXKLOSA-N -1 0 300.311 -0.767 20 0 DBADRM CN(C(=O)C(=O)NCc1cccc(C(=O)[O-])c1)[C@@H]1CCNC1=O ZINC001604024533 1018277824 /nfs/dbraw/zinc/27/78/24/1018277824.db2.gz RFZJKZQTQIDVTQ-LLVKDONJSA-N -1 0 319.317 -0.652 20 0 DBADRM CCn1cnc2c1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C2 ZINC001604018591 1018278160 /nfs/dbraw/zinc/27/81/60/1018278160.db2.gz UTRHHZCKIVSKAH-VIFPVBQESA-N -1 0 308.338 -0.375 20 0 DBADRM CCn1nccc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001604024046 1018278181 /nfs/dbraw/zinc/27/81/81/1018278181.db2.gz GWLSCZOXDMLFLN-VIFPVBQESA-N -1 0 301.324 -0.773 20 0 DBADRM CCn1nc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)ccc1=O ZINC001604018547 1018278300 /nfs/dbraw/zinc/27/83/00/1018278300.db2.gz RCZHFOKBHLAJQH-VIFPVBQESA-N -1 0 309.278 -0.895 20 0 DBADRM CCn1ncnc1CNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001604024225 1018279516 /nfs/dbraw/zinc/27/95/16/1018279516.db2.gz ODVKTKQRWSDXKA-UHFFFAOYSA-N -1 0 311.342 -0.021 20 0 DBADRM CCn1cnc2c1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C2 ZINC001604018590 1018279842 /nfs/dbraw/zinc/27/98/42/1018279842.db2.gz UTRHHZCKIVSKAH-SECBINFHSA-N -1 0 308.338 -0.375 20 0 DBADRM CCN1C(=S)N=NC1CNC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001604009047 1018280163 /nfs/dbraw/zinc/28/01/63/1018280163.db2.gz XBUOGTOADTYTQU-NSHDSACASA-N -1 0 300.340 -0.163 20 0 DBADRM CCn1nc(C)c(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001604022282 1018280240 /nfs/dbraw/zinc/28/02/40/1018280240.db2.gz OUTYXYWRJRZXKR-SNVBAGLBSA-N -1 0 323.353 -0.454 20 0 DBADRM CCn1cnnc1CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604018556 1018280396 /nfs/dbraw/zinc/28/03/96/1018280396.db2.gz RTNSPSLGZDHRAY-SNVBAGLBSA-N -1 0 323.353 -0.720 20 0 DBADRM CC(C)c1nc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)c[nH]1 ZINC001604018834 1018280900 /nfs/dbraw/zinc/28/09/00/1018280900.db2.gz WPMJGOGDSRFFGW-UHFFFAOYSA-N -1 0 316.383 -0.076 20 0 DBADRM CN(C)C(=O)O[C@@H]1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC001604045575 1018281555 /nfs/dbraw/zinc/28/15/55/1018281555.db2.gz GVYYTFFTRHQWJX-SECBINFHSA-N -1 0 315.326 -0.781 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)C2(CC(=O)[O-])CCC2)CC1 ZINC001604041017 1018282215 /nfs/dbraw/zinc/28/22/15/1018282215.db2.gz QSNXMPQVASPBOL-UHFFFAOYSA-N -1 0 311.382 -0.136 20 0 DBADRM CC(C)n1ncc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])c1N ZINC001604043014 1018282280 /nfs/dbraw/zinc/28/22/80/1018282280.db2.gz NUDKMHJBHCFHHG-SECBINFHSA-N -1 0 312.326 -0.008 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cc(C(=O)[O-])n[nH]2)O1 ZINC001604040485 1018283022 /nfs/dbraw/zinc/28/30/22/1018283022.db2.gz AMXSSXIERDJJHH-XCBNKYQSSA-N -1 0 310.310 -0.527 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001604045313 1018283156 /nfs/dbraw/zinc/28/31/56/1018283156.db2.gz ZJFUKZAIHZTSAR-BDAKNGLRSA-N -1 0 322.348 -0.009 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC001604058853 1018285987 /nfs/dbraw/zinc/28/59/87/1018285987.db2.gz HNGFFYWCBAUVGH-VMZHVLLKSA-N -1 0 320.367 -0.311 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1coc(CS(C)(=O)=O)n1 ZINC001604058885 1018286165 /nfs/dbraw/zinc/28/61/65/1018286165.db2.gz HXQYRXFAKTUPPD-KGGZQZJCSA-N -1 0 302.308 -0.022 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)C[C@@H]1NC(=O)NC1=O)c1cccnc1 ZINC001604077944 1018289775 /nfs/dbraw/zinc/28/97/75/1018289775.db2.gz NVCKNEUFUAYCOG-LKFCYVNXSA-N -1 0 320.305 -0.514 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001604075368 1018289953 /nfs/dbraw/zinc/28/99/53/1018289953.db2.gz CVALJTFVVZMVMV-DTWKUNHWSA-N -1 0 307.372 -0.906 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)NCC1(C(=O)[O-])CCC1 ZINC001604083480 1018290298 /nfs/dbraw/zinc/29/02/98/1018290298.db2.gz KVIZFFHNCMQYJS-GOSISDBHSA-N -1 0 313.401 -0.350 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001604074755 1018290345 /nfs/dbraw/zinc/29/03/45/1018290345.db2.gz CGIAUBWHGGSMIN-VIFPVBQESA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H](CC(=O)N[C@@H](Cc1cncs1)C(=O)[O-])NC(N)=O ZINC001604069007 1018290470 /nfs/dbraw/zinc/29/04/70/1018290470.db2.gz XYODGSQVGMHMGV-XPUUQOCRSA-N -1 0 300.340 -0.298 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)CCn1cnnn1)c1ccccn1 ZINC001604078484 1018290841 /nfs/dbraw/zinc/29/08/41/1018290841.db2.gz OQLDAICWLKLSCX-ZDUSSCGKSA-N -1 0 304.310 -0.036 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)C[C@@H]1CC(=O)NC1=O)c1cccnc1 ZINC001604077750 1018290869 /nfs/dbraw/zinc/29/08/69/1018290869.db2.gz JLKFVKWYXDBSSM-VFZGTOFNSA-N -1 0 319.317 -0.060 20 0 DBADRM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC001604075983 1018291062 /nfs/dbraw/zinc/29/10/62/1018291062.db2.gz ZPGPZTHDUYOPRZ-HBNTYKKESA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)CN1CCOCC1=O)c1ccccn1 ZINC001604079690 1018292133 /nfs/dbraw/zinc/29/21/33/1018292133.db2.gz YJCWTLXSHISYBD-OAHLLOKOSA-N -1 0 321.333 -0.254 20 0 DBADRM CN([C@@H]1CC(C)(C)OC1=O)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001604092460 1018293598 /nfs/dbraw/zinc/29/35/98/1018293598.db2.gz GKOAVRNOIQXAJJ-DTWKUNHWSA-N -1 0 320.367 -0.194 20 0 DBADRM CN(CC(=O)N1CCCC1)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001604102467 1018294720 /nfs/dbraw/zinc/29/47/20/1018294720.db2.gz XFUYDOZUHGJYMA-AOOOYVTPSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCO[C@@H](CN2CCOCC2)C1 ZINC001604096619 1018295060 /nfs/dbraw/zinc/29/50/60/1018295060.db2.gz KFOBIGPKLXZUIF-RYUDHWBXSA-N -1 0 300.355 -0.343 20 0 DBADRM CN(CC(=O)[O-])C(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC001604102533 1018295234 /nfs/dbraw/zinc/29/52/34/1018295234.db2.gz HLFUYHXQIWGPIX-UHFFFAOYSA-N -1 0 311.319 -0.545 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001604103553 1018296479 /nfs/dbraw/zinc/29/64/79/1018296479.db2.gz CKCFWBRCWVHBQR-WDEREUQCSA-N -1 0 312.366 -0.023 20 0 DBADRM CC/C=C(/C)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001604120981 1018298262 /nfs/dbraw/zinc/29/82/62/1018298262.db2.gz YOOQEEHKDLLKAV-YWEYNIOJSA-N -1 0 319.325 -0.399 20 0 DBADRM CN(CC(=O)[O-])Cc1cn(Cc2nc(C3CC3)nn2C)nn1 ZINC001604113974 1018299095 /nfs/dbraw/zinc/29/90/95/1018299095.db2.gz SSFOCGYVJZOIGG-UHFFFAOYSA-N -1 0 305.342 -0.151 20 0 DBADRM CC/C=C/CCn1c(=O)c(-c2nnn[n-]2)cn(CCO)c1=O ZINC001604118572 1018300133 /nfs/dbraw/zinc/30/01/33/1018300133.db2.gz IQCSVDZYSCOUDE-ONEGZZNKSA-N -1 0 306.326 -0.461 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2ccn(C)n2)CC1 ZINC001604114968 1018300994 /nfs/dbraw/zinc/30/09/94/1018300994.db2.gz YFXBAHZKXYSCHU-JTQLQIEISA-N -1 0 316.383 -0.410 20 0 DBADRM CCC[C@H](C)[C@H](CO)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001604134260 1018301967 /nfs/dbraw/zinc/30/19/67/1018301967.db2.gz DPCWHUWFBKDVQX-IUCAKERBSA-N -1 0 308.346 -0.629 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCCC[C@H]1C1OCCO1 ZINC001604134310 1018302037 /nfs/dbraw/zinc/30/20/37/1018302037.db2.gz WCDZJIYOIUZFNU-JTQLQIEISA-N -1 0 314.338 -0.327 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NC/C=C\CNc1ncc(C(=O)[O-])cn1 ZINC001604125290 1018302287 /nfs/dbraw/zinc/30/22/87/1018302287.db2.gz NMDYUZVJJCAXND-PKRMOACSSA-N -1 0 321.337 -0.229 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NC[C@@H](C)N(C)c1ncc(C(=O)[O-])cn1 ZINC001604125228 1018302760 /nfs/dbraw/zinc/30/27/60/1018302760.db2.gz LWYQRUFESWOHEJ-RKDXNWHRSA-N -1 0 323.353 -0.373 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@H](C)CCNc1ccnc(C(=O)[O-])n1 ZINC001604140962 1018303138 /nfs/dbraw/zinc/30/31/38/1018303138.db2.gz CPHFKOTWGYKZGG-MWLCHTKSSA-N -1 0 310.354 -0.080 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC001604134186 1018303475 /nfs/dbraw/zinc/30/34/75/1018303475.db2.gz UOTKMOGGJUTLJN-SNVBAGLBSA-N -1 0 311.338 -0.811 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCCC[C@@H]1C1OCCO1 ZINC001604134311 1018303510 /nfs/dbraw/zinc/30/35/10/1018303510.db2.gz WCDZJIYOIUZFNU-SNVBAGLBSA-N -1 0 314.338 -0.327 20 0 DBADRM CCC[C@@H](C)[C@@H](CO)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001604134261 1018303653 /nfs/dbraw/zinc/30/36/53/1018303653.db2.gz DPCWHUWFBKDVQX-RKDXNWHRSA-N -1 0 308.346 -0.629 20 0 DBADRM CCC[C@@H](C)[C@@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604134473 1018303939 /nfs/dbraw/zinc/30/39/39/1018303939.db2.gz HAHVGUTUCYWPPQ-HTQZYQBOSA-N -1 0 323.357 -0.125 20 0 DBADRM C[C@@H](CCNC(=O)c1cnn(C)n1)Nc1ncc(C(=O)[O-])cn1 ZINC001604141813 1018306924 /nfs/dbraw/zinc/30/69/24/1018306924.db2.gz LXJSPLUWVDQBAJ-QMMMGPOBSA-N -1 0 319.325 -0.076 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NCc1nnc2c(=O)n(C)ccn12 ZINC001604143524 1018307907 /nfs/dbraw/zinc/30/79/07/1018307907.db2.gz QPXUSLRGAWCDCA-UHFFFAOYSA-N -1 0 308.298 -0.956 20 0 DBADRM C[C@H](CN1CCOCC1)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001604167744 1018308825 /nfs/dbraw/zinc/30/88/25/1018308825.db2.gz RKAURCQMXGPVDV-UTUOFQBUSA-N -1 0 300.355 -0.202 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)C1CC1 ZINC001604168168 1018308893 /nfs/dbraw/zinc/30/88/93/1018308893.db2.gz GQNMYKALXKIMBU-PSLIRLAXSA-N -1 0 323.349 -0.019 20 0 DBADRM C[C@@H](CNC(=O)Cn1cccc(C(=O)[O-])c1=O)S(C)(=O)=O ZINC001604174671 1018312353 /nfs/dbraw/zinc/31/23/53/1018312353.db2.gz UFWMDVIFQPOWAS-QMMMGPOBSA-N -1 0 316.335 -0.904 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)Nc1ncc(C(=O)[O-])cn1 ZINC001604172700 1018312372 /nfs/dbraw/zinc/31/23/72/1018312372.db2.gz AXCRWZFMUKCOCK-RKDXNWHRSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H](CNC(=O)C1CCOCC1)Nc1ccnc(C(=O)[O-])n1 ZINC001604172802 1018312593 /nfs/dbraw/zinc/31/25/93/1018312593.db2.gz GAMZWJYUCSAJQH-VIFPVBQESA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@@H](CNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC001604176407 1018314055 /nfs/dbraw/zinc/31/40/55/1018314055.db2.gz REACSZZQMXVJOQ-VGMNWLOBSA-N -1 0 308.356 -0.697 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1ccnc(C(=O)[O-])n1 ZINC001604181393 1018315118 /nfs/dbraw/zinc/31/51/18/1018315118.db2.gz VRLDAYQSWODQKL-IUCAKERBSA-N -1 0 321.337 -0.606 20 0 DBADRM CN(CCn1cccn1)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001604181676 1018315557 /nfs/dbraw/zinc/31/55/57/1018315557.db2.gz XIYXXVGRMVLCCK-AWEZNQCLSA-N -1 0 308.338 -0.335 20 0 DBADRM CC(CO)(CO)CNC(=O)NCc1ncc(C(=O)[O-])s1 ZINC001604190880 1018315610 /nfs/dbraw/zinc/31/56/10/1018315610.db2.gz KFOXQOKAZWQSPD-UHFFFAOYSA-N -1 0 303.340 -0.369 20 0 DBADRM CN(CCOCCO)C(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001604177537 1018315892 /nfs/dbraw/zinc/31/58/92/1018315892.db2.gz IHFDPUCMVSXPDG-UHFFFAOYSA-N -1 0 316.354 -0.787 20 0 DBADRM CN(Cc1cnccn1)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604197222 1018316189 /nfs/dbraw/zinc/31/61/89/1018316189.db2.gz NQPYYSUQLPWKRZ-NSHDSACASA-N -1 0 306.322 -0.242 20 0 DBADRM C[C@@](CO)(NC(=O)c1cc(S(C)(=O)=O)ccc1N)C(=O)[O-] ZINC001604193520 1018316766 /nfs/dbraw/zinc/31/67/66/1018316766.db2.gz RDQNDGDEFGCLKV-LBPRGKRZSA-N -1 0 316.335 -0.762 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])C[C@H]2C1=O ZINC001604197468 1018316802 /nfs/dbraw/zinc/31/68/02/1018316802.db2.gz ZDANYOFZODTNQB-AXTSPUMRSA-N -1 0 309.322 -0.504 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@@H](C(N)=O)c1ccccn1)C(=O)[O-] ZINC001604210187 1018323515 /nfs/dbraw/zinc/32/35/15/1018323515.db2.gz LLUYOTGBIOWPHA-IONNQARKSA-N -1 0 301.324 -0.752 20 0 DBADRM C[C@](CO)(NC(=O)c1cc(S(C)(=O)=O)ccc1N)C(=O)[O-] ZINC001604193519 1018317314 /nfs/dbraw/zinc/31/73/14/1018317314.db2.gz RDQNDGDEFGCLKV-GFCCVEGCSA-N -1 0 316.335 -0.762 20 0 DBADRM C[C@](CO)(NC(=O)c1csc(S(C)(=O)=O)c1)C(=O)[O-] ZINC001604194589 1018317404 /nfs/dbraw/zinc/31/74/04/1018317404.db2.gz FOISSQHUGRYTBY-SNVBAGLBSA-N -1 0 307.349 -0.283 20 0 DBADRM CN(Cc1cnccn1)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001604197202 1018317771 /nfs/dbraw/zinc/31/77/71/1018317771.db2.gz LSQWTRAPLNDZGO-SNVBAGLBSA-N -1 0 306.322 -0.242 20 0 DBADRM C[C@@](CO)(NC(=O)Cc1ccn(CC(F)(F)F)n1)C(=O)[O-] ZINC001604193381 1018317826 /nfs/dbraw/zinc/31/78/26/1018317826.db2.gz MPTMNEVZDJYXOF-JTQLQIEISA-N -1 0 309.244 -0.060 20 0 DBADRM C[C@](CO)(NC(=O)c1cc(N2CCOCC2)ccn1)C(=O)[O-] ZINC001604193205 1018318210 /nfs/dbraw/zinc/31/82/10/1018318210.db2.gz GXVSSAGCNPXDIJ-CQSZACIVSA-N -1 0 309.322 -0.516 20 0 DBADRM C[C@](CO)(NC(=O)CN1C(=O)CCc2ccccc21)C(=O)[O-] ZINC001604191770 1018318289 /nfs/dbraw/zinc/31/82/89/1018318289.db2.gz QKPOFTIOCVEOFP-OAHLLOKOSA-N -1 0 306.318 -0.082 20 0 DBADRM CCCN(C)c1nnc(Cn2cnc(-c3nnn[n-]3)n2)n1CC ZINC001604200015 1018318927 /nfs/dbraw/zinc/31/89/27/1018318927.db2.gz SPMYTDNPUDIROO-UHFFFAOYSA-N -1 0 317.361 -0.036 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001604202133 1018319266 /nfs/dbraw/zinc/31/92/66/1018319266.db2.gz DLGDFIDQTRRDDA-WISYIIOYSA-N -1 0 316.354 -0.031 20 0 DBADRM C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001604199150 1018319982 /nfs/dbraw/zinc/31/99/82/1018319982.db2.gz UJDIMTOSDYHVCP-UTLUCORTSA-N -1 0 304.318 -0.465 20 0 DBADRM CN1C[C@@H](OC(=O)C2(CC(=O)[O-])CCOCC2)CNC1=O ZINC001604201478 1018320303 /nfs/dbraw/zinc/32/03/03/1018320303.db2.gz UGDQKNOJJACHCQ-VIFPVBQESA-N -1 0 300.311 -0.175 20 0 DBADRM C[C@@H](CO)C1CCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001604199236 1018321005 /nfs/dbraw/zinc/32/10/05/1018321005.db2.gz WZLQRFDPDTWPME-WPRPVWTQSA-N -1 0 304.318 -0.608 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-] ZINC001604198094 1018321150 /nfs/dbraw/zinc/32/11/50/1018321150.db2.gz AVZOTWKFSPUSNN-LLVKDONJSA-N -1 0 303.340 -0.593 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1)C(=O)[O-] ZINC001604206751 1018322625 /nfs/dbraw/zinc/32/26/25/1018322625.db2.gz RNTGRJSMIFAQOO-BBBLOLIVSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@H](Cc1ccc(NC(=O)C(=O)N(C)CC(N)=O)cc1)C(=O)[O-] ZINC001604225220 1018324853 /nfs/dbraw/zinc/32/48/53/1018324853.db2.gz RCHLVYIUKSSLLQ-SECBINFHSA-N -1 0 321.333 -0.168 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)C2(CC(=O)[O-])CCC2)CC1 ZINC001604221768 1018326308 /nfs/dbraw/zinc/32/63/08/1018326308.db2.gz VECZYWWAAHDDTH-UHFFFAOYSA-N -1 0 311.382 -0.088 20 0 DBADRM CNC(=O)CCOC1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC1 ZINC001604237109 1018328368 /nfs/dbraw/zinc/32/83/68/1018328368.db2.gz VGENPTJMPKCWEP-CQSZACIVSA-N -1 0 316.354 -0.380 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001604227803 1018328515 /nfs/dbraw/zinc/32/85/15/1018328515.db2.gz NXDONYIBUKWQIP-NSHDSACASA-N -1 0 322.321 -0.835 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001604232568 1018329248 /nfs/dbraw/zinc/32/92/48/1018329248.db2.gz SRJPNXFDAVFDJT-ZANVPECISA-N -1 0 317.342 -0.977 20 0 DBADRM CN1CCOC[C@@]1(CO)CNC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001604227702 1018329650 /nfs/dbraw/zinc/32/96/50/1018329650.db2.gz KWWIQTPMXVZJKW-AWEZNQCLSA-N -1 0 324.337 -0.406 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)N(C)C[C@H](C)C(=O)[O-])CC1 ZINC001604237091 1018329905 /nfs/dbraw/zinc/32/99/05/1018329905.db2.gz SWSGWBQSYYDWRE-JTQLQIEISA-N -1 0 314.386 -0.441 20 0 DBADRM C[C@H](Cc1ccsc1)NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001604237981 1018329935 /nfs/dbraw/zinc/32/99/35/1018329935.db2.gz BOPRKJCJDNXCEF-MRVPVSSYSA-N -1 0 312.347 -0.547 20 0 DBADRM CNC(=O)OC[C@H]1CCCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001604240095 1018330131 /nfs/dbraw/zinc/33/01/31/1018330131.db2.gz UDERGQRXJRXONK-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)C(=O)N(C)CCC(=O)[O-])cc1 ZINC001604241487 1018330714 /nfs/dbraw/zinc/33/07/14/1018330714.db2.gz WJWPWOPNFHYJER-UHFFFAOYSA-N -1 0 321.333 -0.153 20 0 DBADRM C[C@H](Cn1cncn1)N1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001604248977 1018331359 /nfs/dbraw/zinc/33/13/59/1018331359.db2.gz JNBFQELQKKPCJZ-OPRDCNLKSA-N -1 0 307.310 -0.206 20 0 DBADRM C[C@H](Cn1cncn1)N1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001604248394 1018331740 /nfs/dbraw/zinc/33/17/40/1018331740.db2.gz CMQBKRPXVJOTTF-BBBLOLIVSA-N -1 0 307.310 -0.206 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)c1cc(C(N)=O)c[nH]1)C(=O)[O-] ZINC001604242700 1018331776 /nfs/dbraw/zinc/33/17/76/1018331776.db2.gz LUDUTXNYSKMDHO-ZDUSSCGKSA-N -1 0 305.294 -0.417 20 0 DBADRM CNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC001604248706 1018332056 /nfs/dbraw/zinc/33/20/56/1018332056.db2.gz JWMBVEVWPSTQMS-VIFPVBQESA-N -1 0 314.363 -0.026 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001604246782 1018332497 /nfs/dbraw/zinc/33/24/97/1018332497.db2.gz HKVPHTLZISJKTC-WDEREUQCSA-N -1 0 308.338 -0.289 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001604249057 1018334412 /nfs/dbraw/zinc/33/44/12/1018334412.db2.gz DVQKDALYBNKTSX-RQJHMYQMSA-N -1 0 310.314 -0.261 20 0 DBADRM C[C@H](NC(=O)C(=O)N(C)CCO)c1ncc(C(=O)[O-])s1 ZINC001604256261 1018334663 /nfs/dbraw/zinc/33/46/63/1018334663.db2.gz OHFYQJAHYRMLQK-LURJTMIESA-N -1 0 301.324 -0.531 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)[C@](C)(OC)C(=O)[O-])C1 ZINC001604249969 1018334824 /nfs/dbraw/zinc/33/48/24/1018334824.db2.gz VPZJUCQTBOJYDB-CABZTGNLSA-N -1 0 322.383 -0.736 20 0 DBADRM CNS(=O)(=O)N1CCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CC1 ZINC001604250037 1018334972 /nfs/dbraw/zinc/33/49/72/1018334972.db2.gz XIROISUKVZPOKW-SECBINFHSA-N -1 0 321.399 -0.658 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ncn(C)n1 ZINC001604260647 1018335336 /nfs/dbraw/zinc/33/53/36/1018335336.db2.gz FHXRVXIEGNOHSP-HRDYMLBCSA-N -1 0 309.326 -0.829 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-])c1ncnn1C ZINC001604255746 1018335344 /nfs/dbraw/zinc/33/53/44/1018335344.db2.gz KLLJPUFGXSEKJJ-BDAKNGLRSA-N -1 0 309.326 -0.542 20 0 DBADRM C[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1nnc2n1CCC2 ZINC001604261422 1018336568 /nfs/dbraw/zinc/33/65/68/1018336568.db2.gz MLPGVCAYURAQQS-IWSPIJDZSA-N -1 0 321.337 -0.619 20 0 DBADRM COC(=O)[C@H](NCC(=O)NCC(=O)[O-])[C@@H]1CCC[C@H](OC)C1 ZINC001604271314 1018339585 /nfs/dbraw/zinc/33/95/85/1018339585.db2.gz KJMONNQMVRRKKY-GBIKHYSHSA-N -1 0 316.354 -0.476 20 0 DBADRM COC(=O)C12CC(C1)CN2C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001604275493 1018340590 /nfs/dbraw/zinc/34/05/90/1018340590.db2.gz CVAPGXFIYRKFPI-UHFFFAOYSA-N -1 0 320.301 -0.290 20 0 DBADRM C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1ncc(C(=O)[O-])s1 ZINC001604277147 1018340603 /nfs/dbraw/zinc/34/06/03/1018340603.db2.gz ICXUEDHJTOPZJF-UHNVWZDZSA-N -1 0 312.307 -0.383 20 0 DBADRM C[C@H](NC(=O)CN1CCSC[C@H]1C(=O)[O-])C(=O)N(C)C ZINC001604275824 1018341097 /nfs/dbraw/zinc/34/10/97/1018341097.db2.gz SWSFOZVGMZPLOD-IUCAKERBSA-N -1 0 303.384 -0.919 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC)CCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001604280355 1018342651 /nfs/dbraw/zinc/34/26/51/1018342651.db2.gz NZLORKAOISGCCN-DCAQKATOSA-N -1 0 314.338 -0.676 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)C1(C(=O)[O-])CCSCC1 ZINC001604299940 1018345089 /nfs/dbraw/zinc/34/50/89/1018345089.db2.gz ZWMUFBYEYBOYMX-QMMMGPOBSA-N -1 0 305.352 -0.375 20 0 DBADRM C[C@](NC(=O)Cn1ncn2nccc2c1=O)(C(=O)[O-])C1CC1 ZINC001604277773 1018343250 /nfs/dbraw/zinc/34/32/50/1018343250.db2.gz SBNXVPYUUUZFMO-CYBMUJFWSA-N -1 0 305.294 -0.740 20 0 DBADRM C[C@@H](NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC001604283108 1018343643 /nfs/dbraw/zinc/34/36/43/1018343643.db2.gz PDJYJROYMODUSS-USZNOCQGSA-N -1 0 315.370 -0.411 20 0 DBADRM C[C@@H](NC(=O)Cn1cncn1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604277966 1018344544 /nfs/dbraw/zinc/34/45/44/1018344544.db2.gz UMHZQQSFVHTMPZ-DTWKUNHWSA-N -1 0 319.325 -0.807 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C[C@@H]1CCOC[C@H]1OC ZINC001604302803 1018344999 /nfs/dbraw/zinc/34/49/99/1018344999.db2.gz BPCNVSKVCOCQHK-WDEREUQCSA-N -1 0 317.338 -0.096 20 0 DBADRM COC(=O)C[C@@]1(NC(=O)c2cc(C(=O)[O-])n[nH]2)CCCOC1 ZINC001604298680 1018345019 /nfs/dbraw/zinc/34/50/19/1018345019.db2.gz IRWPPNPWNUPBGU-ZDUSSCGKSA-N -1 0 311.294 -0.050 20 0 DBADRM COC(=O)C[C@@]1(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCOC1 ZINC001604299660 1018345953 /nfs/dbraw/zinc/34/59/53/1018345953.db2.gz XBSQWEFNJSVMRY-PELKAZGASA-N -1 0 300.267 -0.946 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@@H](O)C1CCOCC1)C(=O)[O-] ZINC001604317861 1018352224 /nfs/dbraw/zinc/35/22/24/1018352224.db2.gz IRFBJLFSIDWBJN-ONGXEEELSA-N -1 0 303.311 -0.704 20 0 DBADRM COC(=O)[C@H]1CS(=O)(=O)CCN1CCC1(C(=O)[O-])CCC1 ZINC001604293365 1018346777 /nfs/dbraw/zinc/34/67/77/1018346777.db2.gz SUDAJSZJZHHLNV-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM C[C@@H](NC(=O)c1cnn(C)n1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604315421 1018348153 /nfs/dbraw/zinc/34/81/53/1018348153.db2.gz ARIXUVSIYRIABZ-JGVFFNPUSA-N -1 0 319.325 -0.656 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001604313526 1018348999 /nfs/dbraw/zinc/34/89/99/1018348999.db2.gz NLDUDUMFWVLGNW-GZMMTYOYSA-N -1 0 320.305 -0.067 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@]1(C)CCN(C)C1=O ZINC001604303634 1018350131 /nfs/dbraw/zinc/35/01/31/1018350131.db2.gz UTBFTPXCYCRXTD-ZDUSSCGKSA-N -1 0 300.311 -0.669 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1cn2cccnc2n1)C(=O)[O-] ZINC001604322116 1018351822 /nfs/dbraw/zinc/35/18/22/1018351822.db2.gz LWXONIIUTOAJIE-QMMMGPOBSA-N -1 0 306.278 -0.135 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CCSCC(=O)OC)C(=O)[O-] ZINC001604320499 1018352196 /nfs/dbraw/zinc/35/21/96/1018352196.db2.gz FNLPDSVSRSCRMV-QMMMGPOBSA-N -1 0 321.351 -0.195 20 0 DBADRM CCN1CCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001604344044 1018354057 /nfs/dbraw/zinc/35/40/57/1018354057.db2.gz HFQHSJOXWPWGIE-ZJUUUORDSA-N -1 0 319.373 -0.428 20 0 DBADRM C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@H](O)C(F)(F)F ZINC001604351098 1018354542 /nfs/dbraw/zinc/35/45/42/1018354542.db2.gz MMJXXSGYBANYAV-FSPLSTOPSA-N -1 0 308.278 -0.461 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001604348788 1018355311 /nfs/dbraw/zinc/35/53/11/1018355311.db2.gz VZPIHAHXFFWXTI-RGNHYFCHSA-N -1 0 304.274 -0.760 20 0 DBADRM COC(=O)Cc1cccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])n1 ZINC001604334627 1018356263 /nfs/dbraw/zinc/35/62/63/1018356263.db2.gz VWXKQBPRUMXYJI-CYBMUJFWSA-N -1 0 311.294 -0.246 20 0 DBADRM COC(=O)N1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)CC1 ZINC001604344835 1018356885 /nfs/dbraw/zinc/35/68/85/1018356885.db2.gz FHDDICUYOKPSQN-UHFFFAOYSA-N -1 0 323.305 -0.543 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)OCc2cn(CC(=O)[O-])nn2)C1 ZINC001604354659 1018357712 /nfs/dbraw/zinc/35/77/12/1018357712.db2.gz QVXDDDZLFPEEGL-BDAKNGLRSA-N -1 0 311.294 -0.005 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)[C@H](O)C(F)(F)F ZINC001604353771 1018358292 /nfs/dbraw/zinc/35/82/92/1018358292.db2.gz CWBLWAVEPWLAAT-DZSWIPIPSA-N -1 0 317.245 -0.302 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001604358474 1018359290 /nfs/dbraw/zinc/35/92/90/1018359290.db2.gz NJPIMJFYQHHCPB-LURJTMIESA-N -1 0 321.380 -0.562 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001604358207 1018359345 /nfs/dbraw/zinc/35/93/45/1018359345.db2.gz LKQRKYHZFXWHFG-XCBNKYQSSA-N -1 0 316.335 -0.428 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)NCCF ZINC001604354282 1018360077 /nfs/dbraw/zinc/36/00/77/1018360077.db2.gz QZGJUULSEAZKPT-ZETCQYMHSA-N -1 0 321.330 -0.524 20 0 DBADRM C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1nnnn1C ZINC001604354202 1018360301 /nfs/dbraw/zinc/36/03/01/1018360301.db2.gz OKXXAMMJGQNOKW-RXMQYKEDSA-N -1 0 300.300 -0.724 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccccc1Cn1cncn1)C(=O)[O-] ZINC001604373336 1018361475 /nfs/dbraw/zinc/36/14/75/1018361475.db2.gz MSJZEWYITYFJDN-CQSZACIVSA-N -1 0 304.306 -0.108 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1(C(=O)[O-])CCC1 ZINC001604361949 1018363201 /nfs/dbraw/zinc/36/32/01/1018363201.db2.gz XCPLXLWGEBUVBX-YUMQZZPRSA-N -1 0 300.311 -0.576 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ccn(C)n1 ZINC001604359776 1018362780 /nfs/dbraw/zinc/36/27/80/1018362780.db2.gz XEWLCOLOIMVCBE-QMMMGPOBSA-N -1 0 313.339 -0.259 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)on1 ZINC001604369454 1018362884 /nfs/dbraw/zinc/36/28/84/1018362884.db2.gz RELKGMKMIQSCOV-VIFPVBQESA-N -1 0 308.250 -0.250 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2cccc(-c3nn[nH]n3)c2)c1[O-] ZINC001604372130 1018363435 /nfs/dbraw/zinc/36/34/35/1018363435.db2.gz UJMRKTUBPLHREA-VIFPVBQESA-N -1 0 316.277 -0.145 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H](C)C(=O)[O-] ZINC001604361552 1018363777 /nfs/dbraw/zinc/36/37/77/1018363777.db2.gz OZOPAKGZTRFGFN-FXQIFTODSA-N -1 0 303.315 -0.928 20 0 DBADRM COC(=O)[C@H]1CCCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001604361230 1018364225 /nfs/dbraw/zinc/36/42/25/1018364225.db2.gz LCHQMPXWMXETSJ-SNVBAGLBSA-N -1 0 308.290 -0.290 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)Nc2ccc(C(=O)[O-])nc2)CC1 ZINC001604377706 1018364803 /nfs/dbraw/zinc/36/48/03/1018364803.db2.gz HOYKDLLKSAMKEI-VIFPVBQESA-N -1 0 322.321 -0.163 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001604378694 1018364980 /nfs/dbraw/zinc/36/49/80/1018364980.db2.gz NMVRIIVFFARCRE-LUTQBAROSA-N -1 0 312.366 -0.169 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])oc1C ZINC001604376387 1018365463 /nfs/dbraw/zinc/36/54/63/1018365463.db2.gz UEAYEMPQIYXBBJ-NSHDSACASA-N -1 0 321.307 -0.511 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])oc1C ZINC001604376380 1018365525 /nfs/dbraw/zinc/36/55/25/1018365525.db2.gz UEAYEMPQIYXBBJ-LLVKDONJSA-N -1 0 321.307 -0.511 20 0 DBADRM CCOC(=O)CN(CC)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604376332 1018365764 /nfs/dbraw/zinc/36/57/64/1018365764.db2.gz UTGCKKOCYYQORP-QMMMGPOBSA-N -1 0 322.329 -0.569 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCSCC(=O)[O-] ZINC001604378152 1018366474 /nfs/dbraw/zinc/36/64/74/1018366474.db2.gz KSMZNIHEAUSPBK-OIBJUYFYSA-N -1 0 304.368 -0.804 20 0 DBADRM COC(=O)c1cc(NC(=O)NC[C@@](C)(O)C(=O)[O-])nn1C ZINC001604375445 1018366581 /nfs/dbraw/zinc/36/65/81/1018366581.db2.gz UFYDFORINYDHKD-LLVKDONJSA-N -1 0 300.271 -0.836 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1 ZINC001604381252 1018367329 /nfs/dbraw/zinc/36/73/29/1018367329.db2.gz STQKHCAYVOJZOB-ZMLRMANQSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H](O)[C@@H]1CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC001604381453 1018367593 /nfs/dbraw/zinc/36/75/93/1018367593.db2.gz VTGKGJHPUYQFQJ-VLEAKVRGSA-N -1 0 307.368 -0.349 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001604382285 1018368452 /nfs/dbraw/zinc/36/84/52/1018368452.db2.gz BKADEKFAIHQZJN-OLQVQODUSA-N -1 0 303.296 -0.662 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001604387386 1018368787 /nfs/dbraw/zinc/36/87/87/1018368787.db2.gz VLSGUFLJMVHVHW-LMLFDSFASA-N -1 0 304.343 -0.751 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ocnc1C(=O)[O-] ZINC001604380244 1018369247 /nfs/dbraw/zinc/36/92/47/1018369247.db2.gz UPYQJXHCIYRSAG-MUWHJKNJSA-N -1 0 311.294 -0.735 20 0 DBADRM C[C@@H](O)CN(C(=O)Nc1cc(C(=O)[O-])n(C)n1)[C@@H](C)CO ZINC001604387428 1018369401 /nfs/dbraw/zinc/36/94/01/1018369401.db2.gz WEHKFNCJGQBCNF-JGVFFNPUSA-N -1 0 300.315 -0.286 20 0 DBADRM C[C@@H](OC[C@@H]1CCCO1)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC001604393649 1018371643 /nfs/dbraw/zinc/37/16/43/1018371643.db2.gz SETKGZWOWJGPMP-AEJSXWLSSA-N -1 0 303.311 -0.297 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CCC[C@H](C(N)=O)C1)C(=O)NCC(=O)[O-] ZINC001604395913 1018371881 /nfs/dbraw/zinc/37/18/81/1018371881.db2.gz ARHVTXWLJFHUGF-XHNCKOQMSA-N -1 0 300.311 -0.589 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)NCC(=O)[O-] ZINC001604393352 1018372177 /nfs/dbraw/zinc/37/21/77/1018372177.db2.gz ITQNMLLNLURIMY-RKDXNWHRSA-N -1 0 314.338 -0.234 20 0 DBADRM COC(=O)c1cn(C2CN(C(=O)C3(C(=O)[O-])CC=CC3)C2)nn1 ZINC001604403420 1018374085 /nfs/dbraw/zinc/37/40/85/1018374085.db2.gz KXKMNGNWIJZMOG-UHFFFAOYSA-N -1 0 320.305 -0.131 20 0 DBADRM C[C@H](OC(=O)c1ccnc2c1CC(=O)N2)C(=O)NCC(=O)[O-] ZINC001604415749 1018374272 /nfs/dbraw/zinc/37/42/72/1018374272.db2.gz NCVXVUVNZOXUNN-LURJTMIESA-N -1 0 307.262 -0.678 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)N[C@@H](C)CC(=O)[O-] ZINC001604411226 1018374609 /nfs/dbraw/zinc/37/46/09/1018374609.db2.gz UXGWDFYQTKICDR-ZETCQYMHSA-N -1 0 300.267 -0.043 20 0 DBADRM C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)NCC(=O)[O-] ZINC001604414456 1018374950 /nfs/dbraw/zinc/37/49/50/1018374950.db2.gz UBTNDWRWKLLXDZ-ZETCQYMHSA-N -1 0 322.273 -0.236 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)O[C@H](C)C(=O)C(=O)[O-] ZINC001604406057 1018375304 /nfs/dbraw/zinc/37/53/04/1018375304.db2.gz DKKLLHWSFJJFLD-VXNVDRBHSA-N -1 0 321.351 -0.322 20 0 DBADRM C[C@@H](OC(=O)Cn1cc(C(=O)[O-])cn1)C(=O)N1CCNC1=O ZINC001604404755 1018375845 /nfs/dbraw/zinc/37/58/45/1018375845.db2.gz LYSGDXWPBBSDBQ-SSDOTTSWSA-N -1 0 310.266 -0.935 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC[C@H](O)COc1cccc(F)c1 ZINC001604422984 1018376499 /nfs/dbraw/zinc/37/64/99/1018376499.db2.gz BULQVBLFFSAFMJ-GXSJLCMTSA-N -1 0 301.270 -0.219 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001604422882 1018378060 /nfs/dbraw/zinc/37/80/60/1018378060.db2.gz UXUUGWQZMUTAHN-UWVGGRQHSA-N -1 0 320.367 -0.888 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC[C@H](O)COc1ccc(F)cc1 ZINC001604424078 1018380697 /nfs/dbraw/zinc/38/06/97/1018380697.db2.gz LOONBFLYJGDVSJ-GXSJLCMTSA-N -1 0 301.270 -0.219 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC001604434513 1018381793 /nfs/dbraw/zinc/38/17/93/1018381793.db2.gz LNAZWONNROCEAH-JTQLQIEISA-N -1 0 316.335 -0.226 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@H](O)COc1ccc(F)cc1 ZINC001604424081 1018382212 /nfs/dbraw/zinc/38/22/12/1018382212.db2.gz LOONBFLYJGDVSJ-ONGXEEELSA-N -1 0 301.270 -0.219 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001604458285 1018383018 /nfs/dbraw/zinc/38/30/18/1018383018.db2.gz ADTHOACVZVHESW-PELKAZGASA-N -1 0 314.367 -0.097 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCO[C@@H](CN2CCOCC2)C1 ZINC001604455397 1018383112 /nfs/dbraw/zinc/38/31/12/1018383112.db2.gz UYAPPYFDWGUOKV-FZMZJTMJSA-N -1 0 316.354 -0.964 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC001604454831 1018383156 /nfs/dbraw/zinc/38/31/56/1018383156.db2.gz FXQXJUXMZBTZFW-NSHDSACASA-N -1 0 307.368 -0.193 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)OC[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001604445938 1018383317 /nfs/dbraw/zinc/38/33/17/1018383317.db2.gz NPOIOEFUVYMDBF-DTWKUNHWSA-N -1 0 309.340 -0.699 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CC(c2[nH]nc3c2COCC3)C1 ZINC001604450390 1018383682 /nfs/dbraw/zinc/38/36/82/1018383682.db2.gz HJMCLSLALWUWJV-CQSZACIVSA-N -1 0 309.322 -0.102 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCO[C@@H](CN2CCOCC2)C1 ZINC001604455399 1018384080 /nfs/dbraw/zinc/38/40/80/1018384080.db2.gz UYAPPYFDWGUOKV-SMDDNHRTSA-N -1 0 316.354 -0.964 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccc(S(C)(=O)=O)nc1 ZINC001604462658 1018384164 /nfs/dbraw/zinc/38/41/64/1018384164.db2.gz GFIXCLFQZDHXCE-GFCCVEGCSA-N -1 0 316.335 -0.409 20 0 DBADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H](CO)C(N)=O)C(=O)[O-] ZINC001604455272 1018384480 /nfs/dbraw/zinc/38/44/80/1018384480.db2.gz ARLPKXJBOVNBCV-APPZFPTMSA-N -1 0 312.347 -0.172 20 0 DBADRM C[C@H](c1cnn(C)c1)c1nnc(N2CCO[C@H](C(=O)[O-])C2)n1C ZINC001604475812 1018386282 /nfs/dbraw/zinc/38/62/82/1018386282.db2.gz WOOCSOOVOCPETL-KOLCDFICSA-N -1 0 320.353 -0.010 20 0 DBADRM CO[C@@H](C)c1noc(CN(C)[C@@H]2CCN(CC(=O)[O-])C2=O)n1 ZINC001604471703 1018387082 /nfs/dbraw/zinc/38/70/82/1018387082.db2.gz XJNUWRKUTWURMM-DTWKUNHWSA-N -1 0 312.326 -0.106 20 0 DBADRM CO[C@@H](CNC(=O)c1cccn(CC(=O)[O-])c1=O)[C@H]1CCOC1 ZINC001604481446 1018387203 /nfs/dbraw/zinc/38/72/03/1018387203.db2.gz MOJXDNBTOVFFNJ-JQWIXIFHSA-N -1 0 324.333 -0.286 20 0 DBADRM CO[C@]1(C(=O)Nc2cnn(CC(=O)[O-])c2)CCS(=O)(=O)C1 ZINC001604480931 1018387945 /nfs/dbraw/zinc/38/79/45/1018387945.db2.gz QLEJWCHWYPQCJO-LLVKDONJSA-N -1 0 317.323 -0.890 20 0 DBADRM C[C@]1(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CCNC(=O)C1 ZINC001604484880 1018390070 /nfs/dbraw/zinc/39/00/70/1018390070.db2.gz VFKVABDPAFVTQO-UONOGXRCSA-N -1 0 309.322 -0.265 20 0 DBADRM CC1(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CCOCC1 ZINC001604486149 1018390126 /nfs/dbraw/zinc/39/01/26/1018390126.db2.gz DAJPGEYIZJUWFN-WDEREUQCSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@]1(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)CCCS1(=O)=O ZINC001604486996 1018390396 /nfs/dbraw/zinc/39/03/96/1018390396.db2.gz PMMBPBLGEZEYFM-NEPJUHHUSA-N -1 0 305.352 -0.439 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(CCO)CC(F)F)C1 ZINC001604489848 1018390782 /nfs/dbraw/zinc/39/07/82/1018390782.db2.gz KUZABWAYUFGZJT-ZDUSSCGKSA-N -1 0 322.308 -0.214 20 0 DBADRM C[C@@]1(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])CCC(=O)NC1 ZINC001604485480 1018390897 /nfs/dbraw/zinc/39/08/97/1018390897.db2.gz AQZZVNKGEWOZQM-AMIZOPFISA-N -1 0 300.311 -0.765 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(CCO)CC(F)F)C1 ZINC001604497439 1018392200 /nfs/dbraw/zinc/39/22/00/1018392200.db2.gz HFWXSMJHSRZDLI-LBPRGKRZSA-N -1 0 308.281 -0.604 20 0 DBADRM CO[C@H]1COCC[C@@H]1N(C)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001604505005 1018394268 /nfs/dbraw/zinc/39/42/68/1018394268.db2.gz LUXDHQWGRRDHSK-VLEAKVRGSA-N -1 0 314.338 -0.772 20 0 DBADRM COC[C@@](C)(O)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001604507839 1018394460 /nfs/dbraw/zinc/39/44/60/1018394460.db2.gz RLGKSVKQMWEWBL-GAZZVSFRSA-N -1 0 301.339 -0.088 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001604502011 1018394756 /nfs/dbraw/zinc/39/47/56/1018394756.db2.gz JLDAZTFKNYIQLD-UHFFFAOYSA-N -1 0 309.322 -0.312 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)NCCCC(=O)[O-] ZINC001604505205 1018394786 /nfs/dbraw/zinc/39/47/86/1018394786.db2.gz QULYAGUSNPBASL-NXEZZACHSA-N -1 0 302.327 -0.770 20 0 DBADRM CC1(C)C[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CCO1 ZINC001604513700 1018394917 /nfs/dbraw/zinc/39/49/17/1018394917.db2.gz VJDIFTVVDZYCBR-VHSXEESVSA-N -1 0 319.379 -0.098 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)NCCCC(=O)[O-] ZINC001604505207 1018395113 /nfs/dbraw/zinc/39/51/13/1018395113.db2.gz QULYAGUSNPBASL-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001604515461 1018395230 /nfs/dbraw/zinc/39/52/30/1018395230.db2.gz UWOFUJXBLDZNKW-VWYCJHECSA-N -1 0 315.370 -0.110 20 0 DBADRM COCC(=O)NC1CCN(C(=O)N[C@H](C)CC(=O)[O-])CC1 ZINC001604505454 1018395315 /nfs/dbraw/zinc/39/53/15/1018395315.db2.gz WZADYPGITYCCBH-SECBINFHSA-N -1 0 301.343 -0.214 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)CNC(=O)Cc2ccc(O)cc2)C1 ZINC001604502608 1018395596 /nfs/dbraw/zinc/39/55/96/1018395596.db2.gz VFSJPTYQZYUQCO-UHFFFAOYSA-N -1 0 306.318 -0.016 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@]2(C)CCC(=O)N2)C1 ZINC001604533976 1018396567 /nfs/dbraw/zinc/39/65/67/1018396567.db2.gz SVHYTVUZDOPLHW-UONOGXRCSA-N -1 0 313.354 -0.212 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CC23CCC3)C1 ZINC001604523005 1018396727 /nfs/dbraw/zinc/39/67/27/1018396727.db2.gz JSTLKUDBPFXRJR-BONVTDFDSA-N -1 0 310.350 -0.005 20 0 DBADRM COC[C@H](O)CCNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001604516826 1018396854 /nfs/dbraw/zinc/39/68/54/1018396854.db2.gz ZJCCATNYNVUFDL-SNVBAGLBSA-N -1 0 311.294 -0.768 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCc2nnc3n2CCC3)C1 ZINC001604533694 1018397136 /nfs/dbraw/zinc/39/71/36/1018397136.db2.gz QJIVPCLFWLSZPR-AWEZNQCLSA-N -1 0 323.353 -0.143 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC001604534213 1018398102 /nfs/dbraw/zinc/39/81/02/1018398102.db2.gz XOTSAQKGWNJMQL-BHDSKKPTSA-N -1 0 314.338 -0.072 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@H](C)[C@@H](C)OC)CCO1 ZINC001604549322 1018399180 /nfs/dbraw/zinc/39/91/80/1018399180.db2.gz DMQCPINXFRCNMU-BREBYQMCSA-N -1 0 304.343 -0.079 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H]2CCCC(=O)N2C)CCO1 ZINC001604550668 1018399846 /nfs/dbraw/zinc/39/98/46/1018399846.db2.gz KGBQQPPADAJCOY-QMTHXVAHSA-N -1 0 314.338 -0.674 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1=O ZINC001604554974 1018400246 /nfs/dbraw/zinc/40/02/46/1018400246.db2.gz VYXJPOZKSWQZDB-SECBINFHSA-N -1 0 311.338 -0.066 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)/C=C\c2cnccn2)CCO1 ZINC001604549968 1018400261 /nfs/dbraw/zinc/40/02/61/1018400261.db2.gz FJBGPYRQBICVLZ-PYLYLYNFSA-N -1 0 307.306 -0.182 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CCO1 ZINC001604550724 1018400364 /nfs/dbraw/zinc/40/03/64/1018400364.db2.gz OOPJQKKKYPLACD-WTBMIXGQSA-N -1 0 300.311 -0.857 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cnc(C)nc2N)CCO1 ZINC001604557679 1018401467 /nfs/dbraw/zinc/40/14/67/1018401467.db2.gz ISWVHOBCCPQNCZ-ZDUSSCGKSA-N -1 0 310.310 -0.691 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2coc(C(N)=O)c2)CCO1 ZINC001604557137 1018401523 /nfs/dbraw/zinc/40/15/23/1018401523.db2.gz DXBPPSFOJYCUNP-CYBMUJFWSA-N -1 0 312.278 -0.679 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CC(=O)NCC(C)(C)C)CCO1 ZINC001604558610 1018402345 /nfs/dbraw/zinc/40/23/45/1018402345.db2.gz QJUIQBFLBHKRTK-CQSZACIVSA-N -1 0 302.371 -0.049 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@H]2[C@H](C(=O)OC)C2(F)F)CCO1 ZINC001604557581 1018402439 /nfs/dbraw/zinc/40/24/39/1018402439.db2.gz ICLATMUKTCFXMJ-SBMIAAHKSA-N -1 0 323.292 -0.157 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cnn3ccncc23)CCO1 ZINC001604559419 1018402578 /nfs/dbraw/zinc/40/25/78/1018402578.db2.gz XZIOJQREZCSYFM-AWEZNQCLSA-N -1 0 320.305 -0.329 20 0 DBADRM CC1(C)OCC(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CO1 ZINC001604558957 1018402638 /nfs/dbraw/zinc/40/26/38/1018402638.db2.gz BXVDAMCPYXICPB-UHFFFAOYSA-N -1 0 322.383 -0.231 20 0 DBADRM CC1(C)OC[C@@H]([C@@H]2CN(CC(=O)NCCC(=O)[O-])CCO2)O1 ZINC001604561359 1018402755 /nfs/dbraw/zinc/40/27/55/1018402755.db2.gz BPQYGZSRGRABSV-QWRGUYRKSA-N -1 0 316.354 -0.570 20 0 DBADRM CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCC(=O)NCC(=O)[O-])OC2=O ZINC001604561288 1018402801 /nfs/dbraw/zinc/40/28/01/1018402801.db2.gz YJAHKBGKONBIHB-UONOGXRCSA-N -1 0 312.322 -0.575 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CC(=O)NC2CCCC2)CCO1 ZINC001604557013 1018403121 /nfs/dbraw/zinc/40/31/21/1018403121.db2.gz DBUGCVQKTVYQGD-CQSZACIVSA-N -1 0 300.355 -0.153 20 0 DBADRM C[C@@]1(CCC(=O)N[C@H](CC2OCCO2)C(=O)[O-])CCC(=O)N1 ZINC001604570744 1018404098 /nfs/dbraw/zinc/40/40/98/1018404098.db2.gz FXXPAUPNOGOSIM-YMTOWFKASA-N -1 0 314.338 -0.232 20 0 DBADRM COC[C@]1(C)CN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001604566776 1018404309 /nfs/dbraw/zinc/40/43/09/1018404309.db2.gz FQJPCRJNGWVNAD-RBZYPMLTSA-N -1 0 314.338 -0.770 20 0 DBADRM COC[C@@]1(C)CN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001604566775 1018404823 /nfs/dbraw/zinc/40/48/23/1018404823.db2.gz FQJPCRJNGWVNAD-ISTVAULSSA-N -1 0 314.338 -0.770 20 0 DBADRM COC[C@@H]1CCCN1NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604566969 1018404999 /nfs/dbraw/zinc/40/49/99/1018404999.db2.gz FOGSXDUYOCTKJR-QWRGUYRKSA-N -1 0 313.354 -0.548 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2nnnn2CC[C@H](C)F)CCO1 ZINC001604565444 1018405032 /nfs/dbraw/zinc/40/50/32/1018405032.db2.gz VHXJJRSHCLDFMZ-JOYOIKCWSA-N -1 0 317.321 -0.272 20 0 DBADRM COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)COCC(=O)[O-])O1 ZINC001604567068 1018405199 /nfs/dbraw/zinc/40/51/99/1018405199.db2.gz GDNVYJXWVQZQFC-SRVKXCTJSA-N -1 0 317.338 -0.491 20 0 DBADRM COC[C@H]1CN(C(=O)NCCOCCOCC(=O)[O-])CCO1 ZINC001604567664 1018405222 /nfs/dbraw/zinc/40/52/22/1018405222.db2.gz UQTNUONCPDPHMZ-LLVKDONJSA-N -1 0 320.342 -0.839 20 0 DBADRM C[C@]1(CC(=O)N[C@@H](CC(=O)[O-])C2CC2)CCS(=O)(=O)N1 ZINC001604568309 1018405350 /nfs/dbraw/zinc/40/53/50/1018405350.db2.gz AZHAURGPPMNJFZ-JOYOIKCWSA-N -1 0 304.368 -0.172 20 0 DBADRM C[C@]1(CN2C(=O)[C@H]3CC[C@@H](C(=O)[O-])CN3C2=O)CCC(=O)N1 ZINC001604571494 1018405541 /nfs/dbraw/zinc/40/55/41/1018405541.db2.gz NCIMAWYBXZJAPD-RFXMVYNHSA-N -1 0 309.322 -0.218 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1=O ZINC001604566268 1018405637 /nfs/dbraw/zinc/40/56/37/1018405637.db2.gz TYHYNWZEPVOURZ-BMIGLBTASA-N -1 0 321.333 -0.004 20 0 DBADRM COCC1(CCn2nnnc2N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC001604566783 1018405685 /nfs/dbraw/zinc/40/56/85/1018405685.db2.gz FXWHBHGPUNHNAQ-JTQLQIEISA-N -1 0 311.342 -0.220 20 0 DBADRM COCCCN(C)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001604578786 1018406674 /nfs/dbraw/zinc/40/66/74/1018406674.db2.gz SACNRGOIFDGGLP-UHFFFAOYSA-N -1 0 307.368 -0.239 20 0 DBADRM C[C@@]1(CO)CCCN1C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001604583745 1018406824 /nfs/dbraw/zinc/40/68/24/1018406824.db2.gz ABMISLOGWBVTJM-QPNXVFALSA-N -1 0 310.350 -0.271 20 0 DBADRM CC1(CS(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CCOCC1 ZINC001604583491 1018407534 /nfs/dbraw/zinc/40/75/34/1018407534.db2.gz WTGYRLUZEFOPFX-QWRGUYRKSA-N -1 0 321.395 -0.100 20 0 DBADRM COCCCN(CCO)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604578789 1018408026 /nfs/dbraw/zinc/40/80/26/1018408026.db2.gz SDQIJVUZXUDHJA-NSHDSACASA-N -1 0 316.354 -0.833 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1c[nH]nc1-c1cnn(C)c1 ZINC001604591918 1018409561 /nfs/dbraw/zinc/40/95/61/1018409561.db2.gz OZKNWNDVJUGAOL-UHFFFAOYSA-N -1 0 307.310 -0.017 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001604585023 1018409691 /nfs/dbraw/zinc/40/96/91/1018409691.db2.gz UHSMWWMXOKPNHT-KZWBYHQPSA-N -1 0 301.339 -0.400 20 0 DBADRM C[C@]1(CO)CCCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001604584776 1018409905 /nfs/dbraw/zinc/40/99/05/1018409905.db2.gz JMXINNNOITYWFV-NWHVRFAMSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@]1(NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CCOC1=O ZINC001604589888 1018409973 /nfs/dbraw/zinc/40/99/73/1018409973.db2.gz FSEOXEHTRHFSCD-ZANVPECISA-N -1 0 300.311 -0.441 20 0 DBADRM CC1=C(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)S(=O)(=O)CCO1 ZINC001604608141 1018411590 /nfs/dbraw/zinc/41/15/90/1018411590.db2.gz XRLYHYIBLYBBJB-VXNVDRBHSA-N -1 0 303.336 -0.016 20 0 DBADRM CCn1ccc(COC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001604609827 1018412627 /nfs/dbraw/zinc/41/26/27/1018412627.db2.gz VYBIPNUKFDJYNV-QMMMGPOBSA-N -1 0 317.313 -0.021 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2CCO[C@H]2C)c1=O ZINC001604601429 1018412662 /nfs/dbraw/zinc/41/26/62/1018412662.db2.gz USSOSTRPXNCAQZ-DTWKUNHWSA-N -1 0 306.326 -0.365 20 0 DBADRM CC1=C(C(=O)N2CC[C@](F)(C(=O)[O-])C2)[C@H](C)n2nnnc2N1C ZINC001604607951 1018412848 /nfs/dbraw/zinc/41/28/48/1018412848.db2.gz PTSPJOBIEFDZOV-ISVAXAHUSA-N -1 0 324.316 -0.017 20 0 DBADRM CC1=C(C(=O)NC2CC(CC(=O)[O-])C2)Cn2nnnc2N1C ZINC001604608191 1018412911 /nfs/dbraw/zinc/41/29/11/1018412911.db2.gz YSBHESWJXUTJFS-UHFFFAOYSA-N -1 0 306.326 -0.234 20 0 DBADRM COCCO[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC001604611537 1018413042 /nfs/dbraw/zinc/41/30/42/1018413042.db2.gz FMOHHIYVIBRCEW-MNOVXSKESA-N -1 0 316.354 -0.571 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cnc(C)nc2)c1=O ZINC001604601028 1018413051 /nfs/dbraw/zinc/41/30/51/1018413051.db2.gz ISHGRKVZEABBTN-UHFFFAOYSA-N -1 0 314.309 -0.643 20 0 DBADRM CC1=C(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@@H](C)n2nnnc2N1C ZINC001604607325 1018413179 /nfs/dbraw/zinc/41/31/79/1018413179.db2.gz LLMVGAWERVJVCL-IWSPIJDZSA-N -1 0 306.326 -0.063 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001604616219 1018414003 /nfs/dbraw/zinc/41/40/03/1018414003.db2.gz LWLHEKUXRFDHDS-SSDOTTSWSA-N -1 0 308.298 -0.248 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H](C)/C=C/C(=O)[O-] ZINC001604618755 1018414238 /nfs/dbraw/zinc/41/42/38/1018414238.db2.gz TVINSPWFUZWOCY-KPJROHGDSA-N -1 0 301.324 -0.333 20 0 DBADRM COCCOCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001604618263 1018415290 /nfs/dbraw/zinc/41/52/90/1018415290.db2.gz PSXDISDIXVCQKK-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2CC[C@](O)(C(=O)[O-])C2)C1=O ZINC001604614797 1018415330 /nfs/dbraw/zinc/41/53/30/1018415330.db2.gz SZICPWKADPTBBH-CQSZACIVSA-N -1 0 310.306 -0.870 20 0 DBADRM COCCc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001604628634 1018417217 /nfs/dbraw/zinc/41/72/17/1018417217.db2.gz BOWGGIASLSHVSL-OAHLLOKOSA-N -1 0 324.333 -0.234 20 0 DBADRM COCCc1cc(NC(=O)NC[C@@](C)(O)C(=O)[O-])n(C)n1 ZINC001604628778 1018417505 /nfs/dbraw/zinc/41/75/05/1018417505.db2.gz KFBMUNJFZRXTGK-GFCCVEGCSA-N -1 0 300.315 -0.434 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NC[C@H]1COC(C)(C)O1 ZINC001604625371 1018417822 /nfs/dbraw/zinc/41/78/22/1018417822.db2.gz GDPCCDNWYXDPFM-UTLUCORTSA-N -1 0 314.338 -0.424 20 0 DBADRM COCCn1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c(=O)cc1C ZINC001604630151 1018417953 /nfs/dbraw/zinc/41/79/53/1018417953.db2.gz YTTSCDLRVQDAEN-HNNXBMFYSA-N -1 0 324.333 -0.223 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCc1nc(C2CC2)no1 ZINC001604627248 1018418420 /nfs/dbraw/zinc/41/84/20/1018418420.db2.gz PWIDIMFSYAZICC-APPZFPTMSA-N -1 0 322.321 -0.115 20 0 DBADRM C[C@H]1[C@@H](NC(=O)CC(N)=O)CCCN1c1ncc(C(=O)[O-])cn1 ZINC001604647465 1018420067 /nfs/dbraw/zinc/42/00/67/1018420067.db2.gz YADBMUNXMGTPCY-WPRPVWTQSA-N -1 0 321.337 -0.476 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001604635456 1018421056 /nfs/dbraw/zinc/42/10/56/1018421056.db2.gz BRBRVAIVUQAGSI-VWYCJHECSA-N -1 0 306.384 -0.558 20 0 DBADRM COC[C@@H](C(N)=O)N(C)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001604639884 1018421144 /nfs/dbraw/zinc/42/11/44/1018421144.db2.gz WYKDQOHFZZURMC-GUBZILKMSA-N -1 0 302.327 -0.785 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001604639762 1018421265 /nfs/dbraw/zinc/42/12/65/1018421265.db2.gz SOUMZCUVNXBHDQ-MXWKQRLJSA-N -1 0 316.354 -0.932 20 0 DBADRM COCc1nocc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001604651536 1018421905 /nfs/dbraw/zinc/42/19/05/1018421905.db2.gz UNULWHSDIDRTHF-SECBINFHSA-N -1 0 318.307 -0.855 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001604659187 1018422810 /nfs/dbraw/zinc/42/28/10/1018422810.db2.gz RDOOJAPNIVFPJM-ILWJIGKKSA-N -1 0 323.349 -0.202 20 0 DBADRM CON(C(=O)CCCN1C(=O)CN(C)C1=O)[C@H](C)C(=O)[O-] ZINC001604659013 1018422829 /nfs/dbraw/zinc/42/28/29/1018422829.db2.gz YMVSMHWSFLNOSA-MRVPVSSYSA-N -1 0 301.299 -0.476 20 0 DBADRM COCc1nc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cs1 ZINC001604648747 1018422928 /nfs/dbraw/zinc/42/29/28/1018422928.db2.gz QAJFCQJGBKANJM-SECBINFHSA-N -1 0 320.392 -0.027 20 0 DBADRM CON(C(=O)CS[C@@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)[O-] ZINC001604659023 1018423525 /nfs/dbraw/zinc/42/35/25/1018423525.db2.gz YTARZOFHJMBLFH-HTQZYQBOSA-N -1 0 311.381 -0.230 20 0 DBADRM CO[C@H]1C[C@H](NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC001604669136 1018425153 /nfs/dbraw/zinc/42/51/53/1018425153.db2.gz HVGKCTHSGFYPEV-KYZUINATSA-N -1 0 324.337 -0.065 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)Cn2cc(C(=O)[O-])cn2)CCS1(=O)=O ZINC001604672016 1018425167 /nfs/dbraw/zinc/42/51/67/1018425167.db2.gz GIMYSPCYJYHLKJ-PSASIEDQSA-N -1 0 315.351 -0.337 20 0 DBADRM CN(C)C(=O)NCCNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001604671558 1018425651 /nfs/dbraw/zinc/42/56/51/1018425651.db2.gz XRCZQWHMSRKRRS-UHFFFAOYSA-N -1 0 319.325 -0.427 20 0 DBADRM CC(C)(C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001500716070 1018426482 /nfs/dbraw/zinc/42/64/82/1018426482.db2.gz ZTRJFJYVUBOXDI-HNNXBMFYSA-N -1 0 323.397 -0.001 20 0 DBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001604672603 1018427356 /nfs/dbraw/zinc/42/73/56/1018427356.db2.gz OXCUZZCOEQZDFE-YPMHNXCESA-N -1 0 322.365 -0.097 20 0 DBADRM C[C@@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)CN1C(=O)c1nc[nH]n1 ZINC001604679183 1018427640 /nfs/dbraw/zinc/42/76/40/1018427640.db2.gz QCNFKMKWXHSFEZ-SFYZADRCSA-N -1 0 317.309 -0.570 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1=O ZINC001604688237 1018431126 /nfs/dbraw/zinc/43/11/26/1018431126.db2.gz HVCJWDXNYDZEDN-MVCUBJFGSA-N -1 0 316.379 -0.222 20 0 DBADRM COc1cc(CCNC(=O)C(=O)NCCC(=O)[O-])ccc1O ZINC001604702596 1018433454 /nfs/dbraw/zinc/43/34/54/1018433454.db2.gz ICGVJLSLIXVIFL-UHFFFAOYSA-N -1 0 310.306 -0.350 20 0 DBADRM COc1cc(CCC(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)on1 ZINC001604702701 1018433562 /nfs/dbraw/zinc/43/35/62/1018433562.db2.gz JIPCLTUBAAPHAV-VIFPVBQESA-N -1 0 312.278 -0.156 20 0 DBADRM COc1cc(CNC(=O)C(=O)N(C)CCC(=O)[O-])ccc1O ZINC001604709578 1018433976 /nfs/dbraw/zinc/43/39/76/1018433976.db2.gz XCEXELBCFBHVNJ-UHFFFAOYSA-N -1 0 310.306 -0.050 20 0 DBADRM C[C@H]1CC[C@H](CNC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)O1 ZINC001604699527 1018434147 /nfs/dbraw/zinc/43/41/47/1018434147.db2.gz XZMYVTABSJEBDX-ZDCRXTMVSA-N -1 0 314.338 -0.629 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])[C@H]1CCO ZINC001604734799 1018435685 /nfs/dbraw/zinc/43/56/85/1018435685.db2.gz YLSLUWDUTPYSJT-QCNOEVLYSA-N -1 0 312.366 -0.167 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])ccc1F ZINC001604721738 1018435969 /nfs/dbraw/zinc/43/59/69/1018435969.db2.gz JTLKYYMQYHUGAF-ZDUSSCGKSA-N -1 0 314.269 -0.275 20 0 DBADRM C[C@@H](OC(=O)C(=O)N1CCC[C@H](C)C1)C(=O)NCC(=O)[O-] ZINC001604733541 1018436218 /nfs/dbraw/zinc/43/62/18/1018436218.db2.gz CVLKYOPWLAXWNZ-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM C[C@@H]1CCCCN1S(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001604733721 1018436329 /nfs/dbraw/zinc/43/63/29/1018436329.db2.gz HCSQFPXBRJDOQR-NXEZZACHSA-N -1 0 322.383 -0.089 20 0 DBADRM C[C@@H]1CCN(C(=O)C2=NN(CCO)C(=O)CC2)[C@H](C(=O)[O-])C1 ZINC001604741347 1018436707 /nfs/dbraw/zinc/43/67/07/1018436707.db2.gz IUUQUMAYROWKAT-KOLCDFICSA-N -1 0 311.338 -0.331 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C[C@H]1CO ZINC001604741025 1018437147 /nfs/dbraw/zinc/43/71/47/1018437147.db2.gz GLXIJKOBVHDCGQ-IUCAKERBSA-N -1 0 324.337 -0.466 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])[C@@H]1CCO ZINC001604734796 1018437298 /nfs/dbraw/zinc/43/72/98/1018437298.db2.gz YLSLUWDUTPYSJT-DDHJBXDOSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001604758855 1018438395 /nfs/dbraw/zinc/43/83/95/1018438395.db2.gz DLHSLTVWRRONLC-KXUCPTDWSA-N -1 0 315.395 -0.030 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C[C@@H]1CO ZINC001604743911 1018438808 /nfs/dbraw/zinc/43/88/08/1018438808.db2.gz CJURUZIQIUEBIS-NXEZZACHSA-N -1 0 311.342 -0.364 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])C[C@H]1O ZINC001604746484 1018439274 /nfs/dbraw/zinc/43/92/74/1018439274.db2.gz ZJJWKOHUJVAMIG-NXEZZACHSA-N -1 0 301.343 -0.620 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)CCN2CCOC2=O)[C@H](C(=O)[O-])C1 ZINC001604757290 1018440094 /nfs/dbraw/zinc/44/00/94/1018440094.db2.gz MCCHJBJHMRWHIY-ZJUUUORDSA-N -1 0 320.367 -0.047 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@@H]1CO ZINC001604757173 1018440116 /nfs/dbraw/zinc/44/01/16/1018440116.db2.gz IKXWBTFLJGMLBV-ZYHUDNBSSA-N -1 0 320.411 -0.022 20 0 DBADRM C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCS1(=O)=O ZINC001604745346 1018440416 /nfs/dbraw/zinc/44/04/16/1018440416.db2.gz MNRQOXPWSJBIKR-AEJSXWLSSA-N -1 0 305.352 -0.346 20 0 DBADRM C[C@H]1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])C[C@H]1O ZINC001604746496 1018440453 /nfs/dbraw/zinc/44/04/53/1018440453.db2.gz ZJJWKOHUJVAMIG-VHSXEESVSA-N -1 0 301.343 -0.620 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])[C@@H]1CO ZINC001604743711 1018440463 /nfs/dbraw/zinc/44/04/63/1018440463.db2.gz ARHBBWZKMDXFAL-NXEZZACHSA-N -1 0 301.343 -0.620 20 0 DBADRM C[C@@H]1CN(C(=O)CN[C@@](C)(Cn2cccn2)C(=O)[O-])CCO1 ZINC001604768747 1018442569 /nfs/dbraw/zinc/44/25/69/1018442569.db2.gz GWCMEVKVLDQXLG-RISCZKNCSA-N -1 0 310.354 -0.437 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)CC[S@@]1=O ZINC001604760934 1018442813 /nfs/dbraw/zinc/44/28/13/1018442813.db2.gz PBZLAWVOFRROLX-XJZHNMMOSA-N -1 0 322.364 -0.096 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCC1(F)F ZINC001604768540 1018442880 /nfs/dbraw/zinc/44/28/80/1018442880.db2.gz PAUNJEZFWNKYFT-IUCAKERBSA-N -1 0 320.292 -0.198 20 0 DBADRM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CCN1CCC(=O)[O-] ZINC001604771223 1018444959 /nfs/dbraw/zinc/44/49/59/1018444959.db2.gz MKVFXOMMNJNFCH-SECBINFHSA-N -1 0 304.368 -0.962 20 0 DBADRM C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001604771808 1018445046 /nfs/dbraw/zinc/44/50/46/1018445046.db2.gz SMOUBDGPRFPBAN-VXNVDRBHSA-N -1 0 307.310 -0.691 20 0 DBADRM COc1ccc(CCNC(=O)c2cn(CC(=O)[O-])nn2)cn1 ZINC001604785497 1018446902 /nfs/dbraw/zinc/44/69/02/1018446902.db2.gz BBIDDABOKNVFTE-UHFFFAOYSA-N -1 0 305.294 -0.261 20 0 DBADRM C[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1Nc1ccnc(C(=O)[O-])n1 ZINC001604780960 1018448787 /nfs/dbraw/zinc/44/87/87/1018448787.db2.gz RCEFAYQTAHCEFX-WCBMZHEXSA-N -1 0 316.321 -0.108 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001604790924 1018449862 /nfs/dbraw/zinc/44/98/62/1018449862.db2.gz ORYZKCGAZHLWFS-LLVKDONJSA-N -1 0 320.411 -0.183 20 0 DBADRM C[C@@H]1CN(CCO)CCN1C(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001604795777 1018453473 /nfs/dbraw/zinc/45/34/73/1018453473.db2.gz FKXKYMGJRCAVQF-SECBINFHSA-N -1 0 309.326 -0.295 20 0 DBADRM C[C@@H]1CN(Cc2cn(CC(=O)[O-])nn2)C[C@H](C)S1(=O)=O ZINC001604802241 1018453591 /nfs/dbraw/zinc/45/35/91/1018453591.db2.gz XHBTUVRBUALDFA-DTORHVGOSA-N -1 0 302.356 -0.630 20 0 DBADRM C[C@@H]1CN(CCc2cn(CC(=O)[O-])nn2)CCS(=O)(=O)C1 ZINC001604797922 1018454190 /nfs/dbraw/zinc/45/41/90/1018454190.db2.gz NMDULDRFUWFYES-SNVBAGLBSA-N -1 0 316.383 -0.728 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)Cc1ccon1 ZINC001604795420 1018454394 /nfs/dbraw/zinc/45/43/94/1018454394.db2.gz XJNJREMVYYGHMZ-SNVBAGLBSA-N -1 0 317.367 -0.015 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C[C@H](CO)O1 ZINC001604807589 1018455724 /nfs/dbraw/zinc/45/57/24/1018455724.db2.gz ALNAMAQNFFJWDM-WCBMZHEXSA-N -1 0 316.335 -0.450 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@]1(C)CO ZINC001604808399 1018456101 /nfs/dbraw/zinc/45/61/01/1018456101.db2.gz VGDXNHZNFLPWRI-JOYOIKCWSA-N -1 0 317.367 -0.393 20 0 DBADRM C[C@@H]1CN(c2nnnn2C2CC(CC(=O)[O-])C2)CC(=O)N1C ZINC001604814816 1018456246 /nfs/dbraw/zinc/45/62/46/1018456246.db2.gz HWBYYTHMHXEZGC-XNWIYYODSA-N -1 0 308.342 -0.234 20 0 DBADRM C[C@@H]1COC[C@H]1NC(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001604818432 1018456621 /nfs/dbraw/zinc/45/66/21/1018456621.db2.gz XPRXZSIRURCMQR-XZPZHEHLSA-N -1 0 310.350 -0.247 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)COCc1ocnc1C(=O)[O-] ZINC001604816754 1018456628 /nfs/dbraw/zinc/45/66/28/1018456628.db2.gz JEQYLVYGDPWYED-BDAKNGLRSA-N -1 0 314.294 -0.502 20 0 DBADRM C[C@H]1COC2(CCC2)CN1C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001604816701 1018456996 /nfs/dbraw/zinc/45/69/96/1018456996.db2.gz IBSPLMNUJRYXBO-HBNTYKKESA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@H]1NC(=O)N(CC[N@@H+]2CCSC[C@H]2CC(=O)[O-])C1=O ZINC001604831614 1018457933 /nfs/dbraw/zinc/45/79/33/1018457933.db2.gz HPSMPQHOKHBAQZ-RKDXNWHRSA-N -1 0 301.368 -0.181 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1csc(-c2nn[nH]n2)c1 ZINC001604826755 1018458441 /nfs/dbraw/zinc/45/84/41/1018458441.db2.gz IBBCLFKPPDFPKG-UHFFFAOYSA-N -1 0 307.295 -0.123 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001604828543 1018458475 /nfs/dbraw/zinc/45/84/75/1018458475.db2.gz WHXKOSAFBSXMSZ-DJLDLDEBSA-N -1 0 304.368 -0.222 20 0 DBADRM C[C@@H]1OCC[C@@]12CN(CN1C[C@@H](C(=O)[O-])OC1=O)CCO2 ZINC001604834687 1018458752 /nfs/dbraw/zinc/45/87/52/1018458752.db2.gz LUVWBXLEQBJGQZ-OUJBWJOFSA-N -1 0 300.311 -0.271 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001604836919 1018459357 /nfs/dbraw/zinc/45/93/57/1018459357.db2.gz YKYNPGFSKGYFGV-CABZTGNLSA-N -1 0 307.368 -0.299 20 0 DBADRM C[C@H]1OCC[C@H]1N(CCO)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001604836810 1018459460 /nfs/dbraw/zinc/45/94/60/1018459460.db2.gz YXIXSSNNWSUTOR-NXEZZACHSA-N -1 0 309.384 -0.101 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCCN1CCC(=O)N(C)CC(=O)[O-] ZINC001604822990 1018459497 /nfs/dbraw/zinc/45/94/97/1018459497.db2.gz GNGZZKZQGQEOCC-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM C[C@@H]1OCC[C@@]12CN(C(=O)Cn1ccc(C(=O)[O-])n1)CCO2 ZINC001604832653 1018459515 /nfs/dbraw/zinc/45/95/15/1018459515.db2.gz DPVRNBOBEYIGTF-IINYFYTJSA-N -1 0 309.322 -0.012 20 0 DBADRM C[C@H]1OCCN(C(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])[C@H]1C ZINC001604838375 1018461347 /nfs/dbraw/zinc/46/13/47/1018461347.db2.gz UHIRNOUYXALVPR-LNFKQOIKSA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1c[nH]cn1 ZINC001604842109 1018461493 /nfs/dbraw/zinc/46/14/93/1018461493.db2.gz OBQCWYSRFGKOHD-VXNVDRBHSA-N -1 0 312.351 -0.096 20 0 DBADRM C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001604838374 1018462418 /nfs/dbraw/zinc/46/24/18/1018462418.db2.gz UHIRNOUYXALVPR-LMLFDSFASA-N -1 0 314.338 -0.772 20 0 DBADRM C/C=C/C[C@@H]1CCCN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001604852297 1018463092 /nfs/dbraw/zinc/46/30/92/1018463092.db2.gz PFEVOAZQAPQXKH-KXMPLOMGSA-N -1 0 310.350 -0.151 20 0 DBADRM COc1ccc2ncc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)n2n1 ZINC001604850935 1018464773 /nfs/dbraw/zinc/46/47/73/1018464773.db2.gz DROUCHVDSUUEFT-ZDUSSCGKSA-N -1 0 306.278 -0.289 20 0 DBADRM CCC(=O)NCC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001604859293 1018467834 /nfs/dbraw/zinc/46/78/34/1018467834.db2.gz JELSZUIMYGUXOA-JTQLQIEISA-N -1 0 321.337 -0.286 20 0 DBADRM COc1cccc(CNC(=O)C(=O)NCCC(=O)[O-])c1OC ZINC001604862920 1018468593 /nfs/dbraw/zinc/46/85/93/1018468593.db2.gz GVCUVJUIVMRHFO-UHFFFAOYSA-N -1 0 310.306 -0.089 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604860159 1018469087 /nfs/dbraw/zinc/46/90/87/1018469087.db2.gz SDVLGJBKPZDCOA-BDAKNGLRSA-N -1 0 323.353 -0.572 20 0 DBADRM CC[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])N1CCCC1=O ZINC001604870345 1018471843 /nfs/dbraw/zinc/47/18/43/1018471843.db2.gz ZHSYOIMYILOQPU-QWRGUYRKSA-N -1 0 308.338 -0.077 20 0 DBADRM CC[C@@H](C(=O)N[C@H](Cn1cncn1)C(=O)[O-])N1CCCC1=O ZINC001604868356 1018472749 /nfs/dbraw/zinc/47/27/49/1018472749.db2.gz HRNRJTKQEJTVHD-ZJUUUORDSA-N -1 0 309.326 -0.752 20 0 DBADRM CC[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-])N(C)C ZINC001604868370 1018473230 /nfs/dbraw/zinc/47/32/30/1018473230.db2.gz HWDYUPUJZAJQSX-ZJUUUORDSA-N -1 0 306.384 -0.573 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O ZINC001604881485 1018474415 /nfs/dbraw/zinc/47/44/15/1018474415.db2.gz KRLLOZACXBJIGV-BDAKNGLRSA-N -1 0 300.311 -0.493 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 ZINC001604879250 1018474568 /nfs/dbraw/zinc/47/45/68/1018474568.db2.gz OUEUTYQSOHJMMX-SNVBAGLBSA-N -1 0 307.306 -0.049 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)NCc1cn(CCOC)c(=O)[nH]c1=O ZINC001604878876 1018474828 /nfs/dbraw/zinc/47/48/28/1018474828.db2.gz VPLXNHKRNQJDKN-SECBINFHSA-N -1 0 313.310 -0.678 20 0 DBADRM Cc1ncoc1CN1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001500814660 1018475250 /nfs/dbraw/zinc/47/52/50/1018475250.db2.gz HHTWJFCYPXRTNF-UHFFFAOYSA-N -1 0 321.337 -0.303 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O ZINC001604881490 1018475326 /nfs/dbraw/zinc/47/53/26/1018475326.db2.gz KRLLOZACXBJIGV-IUCAKERBSA-N -1 0 300.311 -0.493 20 0 DBADRM CC[C@H](C(=O)OC)C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001604888758 1018478298 /nfs/dbraw/zinc/47/82/98/1018478298.db2.gz RUWRXMDQRBHFIU-YIZRAAEISA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)[C@@](C)(O)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001604903841 1018480205 /nfs/dbraw/zinc/48/02/05/1018480205.db2.gz NVGCZWNLEBMRKS-ZDUSSCGKSA-N -1 0 321.293 -0.774 20 0 DBADRM COc1cncc(N2CCN(CC(=O)NCC(=O)[O-])CC2)c1 ZINC001604900359 1018481074 /nfs/dbraw/zinc/48/10/74/1018481074.db2.gz LYYFKWMPTNMEAV-UHFFFAOYSA-N -1 0 308.338 -0.587 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)nc1 ZINC001604900871 1018482228 /nfs/dbraw/zinc/48/22/28/1018482228.db2.gz XBWTUZRCEBWNLN-BDAKNGLRSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1nn(C)cc1C(=O)NCCOCCOCC(=O)[O-] ZINC001604912095 1018483147 /nfs/dbraw/zinc/48/31/47/1018483147.db2.gz PDNULPUPMCHBHD-UHFFFAOYSA-N -1 0 301.299 -0.724 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001604913741 1018483897 /nfs/dbraw/zinc/48/38/97/1018483897.db2.gz GCDLRJKDCMGXHT-GHMZBOCLSA-N -1 0 318.395 -0.429 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC001604920973 1018487234 /nfs/dbraw/zinc/48/72/34/1018487234.db2.gz JEMPTFYOAUMLMO-UHFFFAOYSA-N -1 0 313.335 -0.599 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001604919842 1018487457 /nfs/dbraw/zinc/48/74/57/1018487457.db2.gz AHXUXZRADOAXRF-GHMZBOCLSA-N -1 0 318.395 -0.572 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCC(CO)(CO)C1)C(=O)[O-] ZINC001604929163 1018488815 /nfs/dbraw/zinc/48/88/15/1018488815.db2.gz SFDIIHCEHMSPIN-PWSUYJOCSA-N -1 0 302.371 -0.721 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(C)C[C@@H]1CO)C(=O)[O-] ZINC001604930189 1018490398 /nfs/dbraw/zinc/49/03/98/1018490398.db2.gz BSLSEWZZABTIAT-DMDPSCGWSA-N -1 0 301.387 -0.790 20 0 DBADRM CS(=O)(=O)NCC1CCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC001604927778 1018490557 /nfs/dbraw/zinc/49/05/57/1018490557.db2.gz SIIUZXSFSCPPTJ-UHFFFAOYSA-N -1 0 304.368 -0.361 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC001604933638 1018491803 /nfs/dbraw/zinc/49/18/03/1018491803.db2.gz YDUIHIVLLQJGOG-HOTUBEGUSA-N -1 0 314.338 -0.377 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1C[C@@H](OC)[C@@H](OC)C1)C(=O)[O-] ZINC001604931804 1018493470 /nfs/dbraw/zinc/49/34/70/1018493470.db2.gz KWTODGQMEAHJMW-DCQANWLSSA-N -1 0 302.371 -0.053 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1Br)C(=O)[O-] ZINC001605049822 1018518325 /nfs/dbraw/zinc/51/83/25/1018518325.db2.gz DGOKIVUBISKSIT-BYPYZUCNSA-N -1 0 312.145 -0.066 20 0 DBADRM CC[C@@H](C)[C@@H](O)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001604946242 1018496089 /nfs/dbraw/zinc/49/60/89/1018496089.db2.gz OFCONFOLEINECR-APPZFPTMSA-N -1 0 312.326 -0.420 20 0 DBADRM C[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001604944551 1018497373 /nfs/dbraw/zinc/49/73/73/1018497373.db2.gz YKMHTKRHGLJBPN-JYFUKTADSA-N -1 0 314.367 -0.218 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CCn2cncn2)c1 ZINC001604963911 1018498116 /nfs/dbraw/zinc/49/81/16/1018498116.db2.gz CEJUNOBZJBWQOX-UHFFFAOYSA-N -1 0 316.281 -0.893 20 0 DBADRM COC(=O)c1cc(Cn2cnc(-c3nnn[n-]3)cc2=O)on1 ZINC001604966392 1018498641 /nfs/dbraw/zinc/49/86/41/1018498641.db2.gz HKQXHCRGKLMHNW-UHFFFAOYSA-N -1 0 303.238 -0.754 20 0 DBADRM CC[C@H](C)NC(=O)CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001604968752 1018499406 /nfs/dbraw/zinc/49/94/06/1018499406.db2.gz SEGUKOVZGMGJRK-VIFPVBQESA-N -1 0 306.384 -0.477 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001604958832 1018500311 /nfs/dbraw/zinc/50/03/11/1018500311.db2.gz PSGJEYURKXNISX-UHFFFAOYSA-N -1 0 319.383 -0.938 20 0 DBADRM CO[C@](C)(CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001604997994 1018500624 /nfs/dbraw/zinc/50/06/24/1018500624.db2.gz OGEJMNLZJLNEGT-GFCCVEGCSA-N -1 0 306.330 -0.611 20 0 DBADRM COC(C)(C)[C@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604995028 1018500914 /nfs/dbraw/zinc/50/09/14/1018500914.db2.gz AZEUTDURYNYLTC-SFYZADRCSA-N -1 0 308.346 -0.051 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001604999268 1018501205 /nfs/dbraw/zinc/50/12/05/1018501205.db2.gz CYQCRDAEXSYYTP-WPRPVWTQSA-N -1 0 321.341 -0.814 20 0 DBADRM CO[C@H](C(=O)Nc1c[nH]nc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC001604996568 1018501258 /nfs/dbraw/zinc/50/12/58/1018501258.db2.gz YNNOUACTYGGOKV-MRVPVSSYSA-N -1 0 323.313 -0.115 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1cnccn1 ZINC001604989127 1018501469 /nfs/dbraw/zinc/50/14/69/1018501469.db2.gz LRGBBBALSPJEBJ-NXEZZACHSA-N -1 0 306.322 -0.023 20 0 DBADRM C[C@@H](O)CCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001604994289 1018502124 /nfs/dbraw/zinc/50/21/24/1018502124.db2.gz IQEZSPZSBLYDJV-ZJUUUORDSA-N -1 0 301.343 -0.478 20 0 DBADRM C[C@@H](O)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001604994333 1018503192 /nfs/dbraw/zinc/50/31/92/1018503192.db2.gz PLDPEYCSZHINSP-VQVTYTSYSA-N -1 0 312.244 -0.510 20 0 DBADRM COC(=O)c1cnc(NCCn2cnc(-c3nnn[n-]3)n2)nc1 ZINC001604989887 1018503642 /nfs/dbraw/zinc/50/36/42/1018503642.db2.gz YAIWASYRPMBSNU-UHFFFAOYSA-N -1 0 316.285 -0.853 20 0 DBADRM CO[C@@H](C)C(=O)NCC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001605000236 1018505680 /nfs/dbraw/zinc/50/56/80/1018505680.db2.gz UWQGPKCIRFAVRB-BDAKNGLRSA-N -1 0 320.357 -0.580 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001605011392 1018507906 /nfs/dbraw/zinc/50/79/06/1018507906.db2.gz MWXHGZNEKMKBRV-VUNLKDGVSA-N -1 0 313.401 -0.257 20 0 DBADRM CO[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C[C@H]1C ZINC001605031729 1018508826 /nfs/dbraw/zinc/50/88/26/1018508826.db2.gz BKXRDCNLUUEVCL-SFYZADRCSA-N -1 0 321.341 -0.885 20 0 DBADRM CC[C@@H](CNC(=O)Cc1nc[nH]n1)Nc1ncc(C(=O)[O-])cn1 ZINC001605033304 1018509679 /nfs/dbraw/zinc/50/96/79/1018509679.db2.gz RXAPMDIWVRBQRX-VIFPVBQESA-N -1 0 319.325 -0.158 20 0 DBADRM CC[C@H](CNC(=O)C(=O)Nc1cncnc1N(C)C)C(=O)[O-] ZINC001605024649 1018509913 /nfs/dbraw/zinc/50/99/13/1018509913.db2.gz ZUSUQQZMFPSJMN-MRVPVSSYSA-N -1 0 309.326 -0.292 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)Nc1cncnc1N(C)C)C(=O)[O-] ZINC001605024655 1018510628 /nfs/dbraw/zinc/51/06/28/1018510628.db2.gz ZUSUQQZMFPSJMN-QMMMGPOBSA-N -1 0 309.326 -0.292 20 0 DBADRM C[C@H]1CCC[C@@H](C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001500912001 1018512763 /nfs/dbraw/zinc/51/27/63/1018512763.db2.gz FFJHOQJNABOONR-WDEREUQCSA-N -1 0 323.397 -0.001 20 0 DBADRM CC(=O)N[C@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)C ZINC001500910992 1018513134 /nfs/dbraw/zinc/51/31/34/1018513134.db2.gz YNBMVRYCAONURI-LLVKDONJSA-N -1 0 320.353 -0.652 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001605041356 1018515226 /nfs/dbraw/zinc/51/52/26/1018515226.db2.gz GXLMFRRVMIQVES-MRVPVSSYSA-N -1 0 303.340 -0.230 20 0 DBADRM CC[C@H](CNS(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)[O-] ZINC001605040723 1018515418 /nfs/dbraw/zinc/51/54/18/1018515418.db2.gz XVFCZKAGJCCHEW-IWEMQMMOSA-N -1 0 301.390 -0.494 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001605041360 1018516465 /nfs/dbraw/zinc/51/64/65/1018516465.db2.gz HGYGZZZSWWFDEU-AXTSPUMRSA-N -1 0 319.383 -0.714 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1)C(=O)[O-] ZINC001605041129 1018516676 /nfs/dbraw/zinc/51/66/76/1018516676.db2.gz RUZSPTQGSYRSKY-WRWORJQWSA-N -1 0 321.289 -0.561 20 0 DBADRM C[C@H](CO)N(C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605041096 1018516853 /nfs/dbraw/zinc/51/68/53/1018516853.db2.gz PGQOGYBARLQCLO-NXEZZACHSA-N -1 0 301.343 -0.526 20 0 DBADRM CC[C@@](COC)(NC(=O)c1cn(C(F)(F)CO)nn1)C(=O)[O-] ZINC001605052355 1018518677 /nfs/dbraw/zinc/51/86/77/1018518677.db2.gz GHZRMJTYFPYNLH-JTQLQIEISA-N -1 0 322.268 -0.571 20 0 DBADRM CC[C@@](NC(=O)CN1CCNC(=O)C1)(C(=O)[O-])c1ccccc1 ZINC001605071801 1018519580 /nfs/dbraw/zinc/51/95/80/1018519580.db2.gz HEHLHBCFGQXLAD-INIZCTEOSA-N -1 0 319.361 -0.076 20 0 DBADRM COCC1(N(C)C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCC1 ZINC001605067590 1018520436 /nfs/dbraw/zinc/52/04/36/1018520436.db2.gz CKTQTOBKBGVTMM-UHFFFAOYSA-N -1 0 306.330 -0.514 20 0 DBADRM CC[C@@](NC(=O)CCNC(=O)CO)(C(=O)[O-])c1ccccc1 ZINC001605069768 1018520470 /nfs/dbraw/zinc/52/04/70/1018520470.db2.gz JLZHMPSEIYFWDH-HNNXBMFYSA-N -1 0 308.334 -0.009 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)C1CC1 ZINC001605058204 1018521087 /nfs/dbraw/zinc/52/10/87/1018521087.db2.gz ZQQAZUWMNGSEKE-VIFPVBQESA-N -1 0 324.366 -0.035 20 0 DBADRM CC[C@](NC(=O)CCNC(=O)CO)(C(=O)[O-])c1ccccc1 ZINC001605069769 1018522153 /nfs/dbraw/zinc/52/21/53/1018522153.db2.gz JLZHMPSEIYFWDH-OAHLLOKOSA-N -1 0 308.334 -0.009 20 0 DBADRM COCC[C@@H]1COCCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001605083348 1018526198 /nfs/dbraw/zinc/52/61/98/1018526198.db2.gz HBMSRJXALMXSDG-LLVKDONJSA-N -1 0 320.353 -0.277 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001605102953 1018527516 /nfs/dbraw/zinc/52/75/16/1018527516.db2.gz FCGXLUYRWIPCFK-SNVBAGLBSA-N -1 0 321.333 -0.045 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001605090445 1018527926 /nfs/dbraw/zinc/52/79/26/1018527926.db2.gz ZCKXMLWQDFABOV-GUBZILKMSA-N -1 0 300.311 -0.767 20 0 DBADRM COCCNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605106040 1018528235 /nfs/dbraw/zinc/52/82/35/1018528235.db2.gz KGHFQYXWFZETEU-SSDOTTSWSA-N -1 0 309.282 -0.232 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001605090190 1018529773 /nfs/dbraw/zinc/52/97/73/1018529773.db2.gz UZRMPLFYNSLPMV-UWVGGRQHSA-N -1 0 320.367 -0.999 20 0 DBADRM CC[C@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C(=O)NC ZINC001605100151 1018529941 /nfs/dbraw/zinc/52/99/41/1018529941.db2.gz YOOOKTAQUFQRLQ-LURJTMIESA-N -1 0 304.328 -0.781 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@H](CCOC)C(=O)[O-])nn1 ZINC001605114263 1018530574 /nfs/dbraw/zinc/53/05/74/1018530574.db2.gz PJKNSNYKUPXHQM-DTWKUNHWSA-N -1 0 300.315 -0.732 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)nn1 ZINC001605114724 1018531535 /nfs/dbraw/zinc/53/15/35/1018531535.db2.gz UOWPIIFZGFIEMK-UFBFGSQYSA-N -1 0 314.367 -0.261 20 0 DBADRM COCCn1cc(CNc2ccnc(-c3nnn[n-]3)n2)cn1 ZINC001605125008 1018532103 /nfs/dbraw/zinc/53/21/03/1018532103.db2.gz RUHNSWKZKHIGDK-UHFFFAOYSA-N -1 0 301.314 -0.466 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])nn1 ZINC001605112838 1018532586 /nfs/dbraw/zinc/53/25/86/1018532586.db2.gz BYDDACKCHJQOND-VHSXEESVSA-N -1 0 312.326 -0.635 20 0 DBADRM CC[C@@H](O)[C@H](C)C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001605111425 1018532956 /nfs/dbraw/zinc/53/29/56/1018532956.db2.gz KABGKJAWPUYSKZ-DTWKUNHWSA-N -1 0 307.368 -0.458 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001605143915 1018535448 /nfs/dbraw/zinc/53/54/48/1018535448.db2.gz JMVFHPZQNHPYJG-UHFFFAOYSA-N -1 0 310.701 -0.073 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)C(=O)[O-])C1=O ZINC001605136131 1018535927 /nfs/dbraw/zinc/53/59/27/1018535927.db2.gz XRURYVZRCGJXEG-INWYIAFRSA-N -1 0 300.267 -0.708 20 0 DBADRM CCC1(CNC(=O)NCCC(=O)NCCC(=O)[O-])COC1 ZINC001605142657 1018536550 /nfs/dbraw/zinc/53/65/50/1018536550.db2.gz TTXMWNQVMSSPTB-UHFFFAOYSA-N -1 0 301.343 -0.307 20 0 DBADRM Cc1cc(C(=O)[O-])cc(C(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c1 ZINC001605131313 1018537559 /nfs/dbraw/zinc/53/75/59/1018537559.db2.gz HZQIKDAVGNNZKN-QWRGUYRKSA-N -1 0 319.317 -0.648 20 0 DBADRM CO[N-]C(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001605143716 1018537573 /nfs/dbraw/zinc/53/75/73/1018537573.db2.gz CRMFKVFNPFROTM-UHFFFAOYSA-N -1 0 311.323 -0.541 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])C1=O ZINC001605134575 1018537696 /nfs/dbraw/zinc/53/76/96/1018537696.db2.gz BGRZRZNVODGNGH-CERSQZSQSA-N -1 0 313.310 -0.935 20 0 DBADRM CCC1(Cn2cc(C(=O)NCCOCC(=O)[O-])nn2)COC1 ZINC001605145169 1018538400 /nfs/dbraw/zinc/53/84/00/1018538400.db2.gz JRQNRRVJHFVPRB-UHFFFAOYSA-N -1 0 312.326 -0.464 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C1 ZINC001605148935 1018540880 /nfs/dbraw/zinc/54/08/80/1018540880.db2.gz SHWYSFDGDCFXEX-JRPNMDOOSA-N -1 0 312.366 -0.071 20 0 DBADRM Cc1cc(CN(C)C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)no1 ZINC001605165546 1018542469 /nfs/dbraw/zinc/54/24/69/1018542469.db2.gz MZXLNQMRVFUCKL-JTQLQIEISA-N -1 0 311.294 -0.747 20 0 DBADRM CC[C@@H]1COC(C)(C)CN1C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001605180367 1018543346 /nfs/dbraw/zinc/54/33/46/1018543346.db2.gz ZNDRZQONTXWBEK-BDAKNGLRSA-N -1 0 304.318 -0.059 20 0 DBADRM Cc1cc(CS(=O)(=O)CCS(=O)(=O)CC(=O)[O-])on1 ZINC001605170582 1018543764 /nfs/dbraw/zinc/54/37/64/1018543764.db2.gz DLTGMJXQGSLCPD-UHFFFAOYSA-N -1 0 311.337 -0.603 20 0 DBADRM CC[C@H]1COC(C)(C)CN1C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001605180369 1018543928 /nfs/dbraw/zinc/54/39/28/1018543928.db2.gz ZNDRZQONTXWBEK-IUCAKERBSA-N -1 0 304.318 -0.059 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)[nH]n1 ZINC001605172491 1018543999 /nfs/dbraw/zinc/54/39/99/1018543999.db2.gz JPVJTVAQGRJETR-LDYMZIIASA-N -1 0 308.338 -0.096 20 0 DBADRM CCC[C@@](C)(NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC001605197368 1018544827 /nfs/dbraw/zinc/54/48/27/1018544827.db2.gz FVAZHIOYUDSVKE-GFCCVEGCSA-N -1 0 321.399 -0.339 20 0 DBADRM CCCN(CC(N)=O)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001605310752 1018556885 /nfs/dbraw/zinc/55/68/85/1018556885.db2.gz WXEDLTKZMCANPB-UHFFFAOYSA-N -1 0 301.324 -0.334 20 0 DBADRM CCCN1C[C@@H](C(=O)N[C@H](CC(=O)[O-])C(=O)OC)CC1=O ZINC001605322728 1018558947 /nfs/dbraw/zinc/55/89/47/1018558947.db2.gz VAHLBXFXSROLFC-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM CCC[C@H](C(=O)N1CC[C@](OC)(C(=O)[O-])C1)S(N)(=O)=O ZINC001605192686 1018546866 /nfs/dbraw/zinc/54/68/66/1018546866.db2.gz NSPFWGAWJNYEEV-LDYMZIIASA-N -1 0 308.356 -0.854 20 0 DBADRM CCC[C@H](C(=O)N1CCOC[C@H]1CC(=O)[O-])S(N)(=O)=O ZINC001605191605 1018547950 /nfs/dbraw/zinc/54/79/50/1018547950.db2.gz CAMKUIWMNUZCPW-RKDXNWHRSA-N -1 0 308.356 -0.854 20 0 DBADRM CCCC(=O)N1CCN(C2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001605190729 1018547967 /nfs/dbraw/zinc/54/79/67/1018547967.db2.gz FEQKSRSLYNSMJY-OLZOCXBDSA-N -1 0 323.393 -0.138 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001605245530 1018550986 /nfs/dbraw/zinc/55/09/86/1018550986.db2.gz CMMBJBKXZALNSN-SECBINFHSA-N -1 0 301.343 -0.348 20 0 DBADRM CCC[C@H](O)[C@@H](CO)NC(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001605217719 1018551305 /nfs/dbraw/zinc/55/13/05/1018551305.db2.gz MWDPIBYXMUUHGO-BDAKNGLRSA-N -1 0 300.315 -0.238 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001605289836 1018553311 /nfs/dbraw/zinc/55/33/11/1018553311.db2.gz PXXWUFAGWSLHMF-MWLCHTKSSA-N -1 0 322.383 -0.858 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N(C)CCC(=O)[O-])c(=O)n1C ZINC001605273411 1018554724 /nfs/dbraw/zinc/55/47/24/1018554724.db2.gz IYRIDADZWMGLND-UHFFFAOYSA-N -1 0 309.322 -0.757 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001605289834 1018555184 /nfs/dbraw/zinc/55/51/84/1018555184.db2.gz PXXWUFAGWSLHMF-GXSJLCMTSA-N -1 0 322.383 -0.858 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)nn1 ZINC001605306433 1018555704 /nfs/dbraw/zinc/55/57/04/1018555704.db2.gz NVERUGUIKXWSLL-JTQLQIEISA-N -1 0 311.323 -0.377 20 0 DBADRM Cc1ccc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nn1 ZINC001605306669 1018557179 /nfs/dbraw/zinc/55/71/79/1018557179.db2.gz VYQDBGBKMREEFJ-BXKDBHETSA-N -1 0 313.335 -0.493 20 0 DBADRM COc1cccc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)n1 ZINC001605319543 1018557204 /nfs/dbraw/zinc/55/72/04/1018557204.db2.gz GIMHUUQEMCPVEW-UHFFFAOYSA-N -1 0 301.266 -0.419 20 0 DBADRM CCCN1C[C@H](CNS(=O)(=O)C[C@H](C)C(=O)[O-])CC1=O ZINC001605321043 1018557963 /nfs/dbraw/zinc/55/79/63/1018557963.db2.gz ANLSJOLZNKWIAW-UWVGGRQHSA-N -1 0 306.384 -0.115 20 0 DBADRM COc1cncnc1NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001605342891 1018559370 /nfs/dbraw/zinc/55/93/70/1018559370.db2.gz QHURSEUDKOIIBX-LURJTMIESA-N -1 0 316.285 -0.544 20 0 DBADRM CSC1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCC1 ZINC001605368358 1018568425 /nfs/dbraw/zinc/56/84/25/1018568425.db2.gz JGIDVIZQWFLWSS-UHFFFAOYSA-N -1 0 308.371 -0.140 20 0 DBADRM CCCc1nnc(SCC(=O)N[C@@H](CF)C(=O)[O-])n1N ZINC001605383630 1018570336 /nfs/dbraw/zinc/57/03/36/1018570336.db2.gz MXTLHFUUWPEIOE-LURJTMIESA-N -1 0 305.335 -0.425 20 0 DBADRM CCCn1nnnc1CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001605391289 1018570418 /nfs/dbraw/zinc/57/04/18/1018570418.db2.gz LWZVTVOTFPSYJC-GHMZBOCLSA-N -1 0 322.369 -0.552 20 0 DBADRM CCCn1nccc1NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001605391017 1018571317 /nfs/dbraw/zinc/57/13/17/1018571317.db2.gz RSAVGJUXUVVSJR-SNVBAGLBSA-N -1 0 324.337 -0.066 20 0 DBADRM Cc1n[nH]c(C)c1CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001605388488 1018572458 /nfs/dbraw/zinc/57/24/58/1018572458.db2.gz UARQKRWXKDGBMU-NSHDSACASA-N -1 0 316.383 -0.048 20 0 DBADRM CCCn1nnnc1CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001605391292 1018572597 /nfs/dbraw/zinc/57/25/97/1018572597.db2.gz LWZVTVOTFPSYJC-WDEREUQCSA-N -1 0 322.369 -0.552 20 0 DBADRM Cc1nc(CCNC(=O)c2cccn(CC(=O)[O-])c2=O)n[nH]1 ZINC001605403481 1018573983 /nfs/dbraw/zinc/57/39/83/1018573983.db2.gz KGZRPAOVIZNBMJ-UHFFFAOYSA-N -1 0 305.294 -0.668 20 0 DBADRM CCN(C)C(=O)[C@H](C)N1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001605405778 1018574636 /nfs/dbraw/zinc/57/46/36/1018574636.db2.gz BJWRNPIYNUJKBR-IVZWLZJFSA-N -1 0 311.338 -0.019 20 0 DBADRM CC1CC(C(=O)N(C)CCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001501106014 1018574432 /nfs/dbraw/zinc/57/44/32/1018574432.db2.gz MIABIHJRDRRASV-UHFFFAOYSA-N -1 0 323.353 -0.141 20 0 DBADRM Cc1nc(Cn2nnc(NC(=O)N[C@H](C)C(=O)[O-])c2C)no1 ZINC001605408405 1018575610 /nfs/dbraw/zinc/57/56/10/1018575610.db2.gz RWOQBZJJRSOSAG-RXMQYKEDSA-N -1 0 309.286 -0.079 20 0 DBADRM Cc1nnc(C2CN(C(=O)[C@@H]3CCCN(CC(=O)[O-])C3=O)C2)[nH]1 ZINC001605402774 1018575915 /nfs/dbraw/zinc/57/59/15/1018575915.db2.gz HQFXQRXRWUTTTR-SNVBAGLBSA-N -1 0 321.337 -0.638 20 0 DBADRM Cc1nc(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)nn1C ZINC001605408989 1018576226 /nfs/dbraw/zinc/57/62/26/1018576226.db2.gz YHIFNJMQAAOBTD-UHFFFAOYSA-N -1 0 316.339 -0.658 20 0 DBADRM CCN(CC)C(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001605422213 1018577586 /nfs/dbraw/zinc/57/75/86/1018577586.db2.gz KKKGVRQXHRRCST-UWVGGRQHSA-N -1 0 315.370 -0.271 20 0 DBADRM CCN(CC)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001605425126 1018578157 /nfs/dbraw/zinc/57/81/57/1018578157.db2.gz XXTUKVNRMGCIPC-UHFFFAOYSA-N -1 0 304.328 -0.745 20 0 DBADRM Cc1nc[nH]c(=O)c1CCC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001605420203 1018578855 /nfs/dbraw/zinc/57/88/55/1018578855.db2.gz IRVUOHUAXYMABN-BONVTDFDSA-N -1 0 321.333 -0.017 20 0 DBADRM CCN(CC(N)=O)S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001605421976 1018579679 /nfs/dbraw/zinc/57/96/79/1018579679.db2.gz XELUFPPIZKWVMZ-UHFFFAOYSA-N -1 0 321.742 -0.071 20 0 DBADRM Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N(C)CCC(=O)[O-])C2 ZINC001605420362 1018579253 /nfs/dbraw/zinc/57/92/53/1018579253.db2.gz HIPUNCYCVINEQI-LLVKDONJSA-N -1 0 320.349 -0.308 20 0 DBADRM Cc1nccn1C[C@H](C)CNC(=O)C(=O)N(C)CCC(=O)[O-] ZINC001605423971 1018579611 /nfs/dbraw/zinc/57/96/11/1018579611.db2.gz ADVBFSPQRDKMDO-SNVBAGLBSA-N -1 0 310.354 -0.123 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)ccn1 ZINC001605417332 1018579636 /nfs/dbraw/zinc/57/96/36/1018579636.db2.gz KQSRRVLKCCUICA-UHFFFAOYSA-N -1 0 302.308 -0.037 20 0 DBADRM Cc1nnc(CN(C)C(=O)C(=O)NCC2(C(=O)[O-])CCC2)o1 ZINC001605440210 1018582907 /nfs/dbraw/zinc/58/29/07/1018582907.db2.gz DDAWDSCBTLGWBV-UHFFFAOYSA-N -1 0 310.310 -0.292 20 0 DBADRM C[C@H](NC(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(N)=O ZINC001605439738 1018584154 /nfs/dbraw/zinc/58/41/54/1018584154.db2.gz XWKWNJDDJKTQCD-REOHCLBHSA-N -1 0 316.734 -0.028 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O)CC2 ZINC001605444833 1018584925 /nfs/dbraw/zinc/58/49/25/1018584925.db2.gz YAQSYJDTKGEBTI-UWVGGRQHSA-N -1 0 322.321 -0.622 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)s1 ZINC001605441407 1018586149 /nfs/dbraw/zinc/58/61/49/1018586149.db2.gz YBMDJVXPWLCUJX-GFCCVEGCSA-N -1 0 312.351 -0.214 20 0 DBADRM CCN(CCC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)[nH]n1 ZINC001605444380 1018586425 /nfs/dbraw/zinc/58/64/25/1018586425.db2.gz GXDPERFYWSMEJH-UHFFFAOYSA-N -1 0 305.312 -0.318 20 0 DBADRM Cc1nnsc1CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001605446073 1018586605 /nfs/dbraw/zinc/58/66/05/1018586605.db2.gz VPPVXPKJBAAPBT-UHFFFAOYSA-N -1 0 324.322 -0.617 20 0 DBADRM Cc1nnsc1CNC(=O)NCCOCCOCC(=O)[O-] ZINC001605445765 1018587576 /nfs/dbraw/zinc/58/75/76/1018587576.db2.gz JSDBVXQNWWZEIV-UHFFFAOYSA-N -1 0 318.355 -0.236 20 0 DBADRM CCN(CCNC(=O)[C@@H]1COC(=O)N1)c1ncc(C(=O)[O-])cn1 ZINC001605449879 1018590268 /nfs/dbraw/zinc/59/02/68/1018590268.db2.gz YGHAKSGNDQKPGY-VIFPVBQESA-N -1 0 323.309 -0.774 20 0 DBADRM CCN(CCc1cn(CC(=O)[O-])nn1)[C@H](C)CS(C)(=O)=O ZINC001605453085 1018591111 /nfs/dbraw/zinc/59/11/11/1018591111.db2.gz BTTHNGLQUKAERX-SNVBAGLBSA-N -1 0 318.399 -0.340 20 0 DBADRM CCN(c1ccnc(C(=O)[O-])n1)[C@H](C)CNC(=O)CC(N)=O ZINC001605464237 1018592339 /nfs/dbraw/zinc/59/23/39/1018592339.db2.gz CLROLQFIFZXEKF-MRVPVSSYSA-N -1 0 309.326 -0.619 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC[C@H](C)O)c(=O)n1C1CC1 ZINC001605463339 1018592615 /nfs/dbraw/zinc/59/26/15/1018592615.db2.gz UDJYWMMVVMMDLM-ZETCQYMHSA-N -1 0 306.326 -0.396 20 0 DBADRM Cn1c(N2CC[C@](C)(C(=O)[O-])C2)nnc1[C@@]1(C)CNC(=O)C1 ZINC001605466815 1018593365 /nfs/dbraw/zinc/59/33/65/1018593365.db2.gz YDDQVPXIKLXARX-UONOGXRCSA-N -1 0 307.354 -0.106 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(C[C@H]2CCCCO2)c(=O)n1C ZINC001605463478 1018595364 /nfs/dbraw/zinc/59/53/64/1018595364.db2.gz XSXYDUKOVLGABZ-SECBINFHSA-N -1 0 306.326 -0.395 20 0 DBADRM CCN1CC[C@H](NC(=O)COCc2ocnc2C(=O)[O-])C1=O ZINC001605472408 1018596505 /nfs/dbraw/zinc/59/65/05/1018596505.db2.gz OAUIYJSNSDLDQT-QMMMGPOBSA-N -1 0 311.294 -0.374 20 0 DBADRM CCN1CC[C@@H](NS(=O)(=O)c2cncc(C(=O)[O-])c2)C1=O ZINC001605472475 1018596559 /nfs/dbraw/zinc/59/65/59/1018596559.db2.gz QPEIFWRESPQDAB-SNVBAGLBSA-N -1 0 313.335 -0.321 20 0 DBADRM CCN1CC[C@H](NC(=O)Cn2cccc(C(=O)[O-])c2=O)C1=O ZINC001605472369 1018596950 /nfs/dbraw/zinc/59/69/50/1018596950.db2.gz MUAAQOCDORGNBV-JTQLQIEISA-N -1 0 307.306 -0.717 20 0 DBADRM CCN1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001605479496 1018598873 /nfs/dbraw/zinc/59/88/73/1018598873.db2.gz BPGDTFTUGFPGTN-UHFFFAOYSA-N -1 0 306.322 -0.118 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605484883 1018599629 /nfs/dbraw/zinc/59/96/29/1018599629.db2.gz AHACPQHVCQUODF-GMTAPVOTSA-N -1 0 314.338 -0.961 20 0 DBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(CCS(C)(=O)=O)C2)cn1 ZINC001605488972 1018599872 /nfs/dbraw/zinc/59/98/72/1018599872.db2.gz OUZTYZPJCPJRRQ-QWRGUYRKSA-N -1 0 315.395 -0.045 20 0 DBADRM CCNC(=O)C1(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)CCC1 ZINC001605487666 1018600621 /nfs/dbraw/zinc/60/06/21/1018600621.db2.gz ZGGGWKUARQDIRE-JTQLQIEISA-N -1 0 313.354 -0.212 20 0 DBADRM Cn1cc(C(N)=O)c(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)n1 ZINC001605483273 1018600995 /nfs/dbraw/zinc/60/09/95/1018600995.db2.gz GDFKPZHVRRILOE-YUMQZZPRSA-N -1 0 310.310 -0.273 20 0 DBADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3nnc(CO)n3C)C2)cn1 ZINC001605488292 1018601077 /nfs/dbraw/zinc/60/10/77/1018601077.db2.gz GISBSRYKRIXWSK-VHSXEESVSA-N -1 0 320.353 -0.264 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)c3cc(C(=O)[O-])nn3C)CCN2)cn1 ZINC001605488130 1018601184 /nfs/dbraw/zinc/60/11/84/1018601184.db2.gz DKKDOWRGKSPZRZ-NSHDSACASA-N -1 0 318.337 -0.362 20 0 DBADRM CCN1CCN(CC(=O)O[C@H]2C=CC[C@@H](C(=O)[O-])C2)C(=O)C1=O ZINC001605482217 1018601208 /nfs/dbraw/zinc/60/12/08/1018601208.db2.gz POCQAWVGCWEAFV-MNOVXSKESA-N -1 0 324.333 -0.360 20 0 DBADRM CCNC(=O)CC(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CC1 ZINC001605489079 1018602697 /nfs/dbraw/zinc/60/26/97/1018602697.db2.gz CBJSBAUPXOOJQM-UHFFFAOYSA-N -1 0 321.337 -0.238 20 0 DBADRM Cn1cc(CCOC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)cn1 ZINC001605491245 1018603580 /nfs/dbraw/zinc/60/35/80/1018603580.db2.gz UPOXORBEWQOGNI-LLVKDONJSA-N -1 0 309.322 -0.171 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1 ZINC001605494424 1018603917 /nfs/dbraw/zinc/60/39/17/1018603917.db2.gz DFMRPUVEKGHOCT-UKKRHICBSA-N -1 0 310.354 -0.238 20 0 DBADRM CCNC(=O)CNS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001605493129 1018604762 /nfs/dbraw/zinc/60/47/62/1018604762.db2.gz LOYXRXVDDXJXGK-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1 ZINC001605494425 1018604866 /nfs/dbraw/zinc/60/48/66/1018604866.db2.gz DFMRPUVEKGHOCT-ZNSHCXBVSA-N -1 0 310.354 -0.238 20 0 DBADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)Cc3nnc[nH]3)C2)cn1 ZINC001605490988 1018605476 /nfs/dbraw/zinc/60/54/76/1018605476.db2.gz MOWRWYYXLOZGAH-VHSXEESVSA-N -1 0 318.337 -0.202 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001605493396 1018605566 /nfs/dbraw/zinc/60/55/66/1018605566.db2.gz USZOSUQIJRVKTP-UHFFFAOYSA-N -1 0 321.337 -0.931 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001605493388 1018605791 /nfs/dbraw/zinc/60/57/91/1018605791.db2.gz TZJHQUUMYCWDPB-TXEJJXNPSA-N -1 0 311.382 -0.232 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@H](C(=O)[O-])c2ccnn2C)cn1 ZINC001605501861 1018607893 /nfs/dbraw/zinc/60/78/93/1018607893.db2.gz ISHRUBPQLFJVSG-VIFPVBQESA-N -1 0 306.282 -0.966 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cn1 ZINC001605501853 1018607957 /nfs/dbraw/zinc/60/79/57/1018607957.db2.gz ISHRUBPQLFJVSG-SECBINFHSA-N -1 0 306.282 -0.966 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)Nc1c(C(=O)[O-])cnn1C ZINC001605498730 1018608687 /nfs/dbraw/zinc/60/86/87/1018608687.db2.gz CTHFBCLDSOOVTP-UHFFFAOYSA-N -1 0 319.343 -0.821 20 0 DBADRM CCOC(=O)[C@@H](CC)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001605509113 1018608874 /nfs/dbraw/zinc/60/88/74/1018608874.db2.gz QSOVSYVHQHSMPT-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM CCOC(=O)[C@@](C)(O)CNC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001605508048 1018608899 /nfs/dbraw/zinc/60/88/99/1018608899.db2.gz LQGCUVAHNPGRGS-LBPRGKRZSA-N -1 0 314.298 -0.446 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N1CCOC[C@H]1CC(=O)[O-])C(C)=O ZINC001605509860 1018610635 /nfs/dbraw/zinc/61/06/35/1018610635.db2.gz VRMVVLAJMTXJDY-MNOVXSKESA-N -1 0 315.322 -0.153 20 0 DBADRM Cn1ccnc1C1(O)CN(C(=O)C2(CC(=O)[O-])CCOCC2)C1 ZINC001605511637 1018610997 /nfs/dbraw/zinc/61/09/97/1018610997.db2.gz DHDCWQSPJJCXFW-UHFFFAOYSA-N -1 0 323.349 -0.279 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)n1 ZINC001605520088 1018611669 /nfs/dbraw/zinc/61/16/69/1018611669.db2.gz VTLKHXALAQCFBE-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCc1ncccn1 ZINC001605509888 1018611957 /nfs/dbraw/zinc/61/19/57/1018611957.db2.gz KETIMTKXVBLTTD-UHFFFAOYSA-N -1 0 312.293 -0.004 20 0 DBADRM Cn1cccc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c1=O ZINC001605511267 1018612025 /nfs/dbraw/zinc/61/20/25/1018612025.db2.gz DWAYBDLWRWZCNK-LLVKDONJSA-N -1 0 321.333 -0.419 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@](C)(CO)C(=O)[O-])C1 ZINC001605525652 1018612669 /nfs/dbraw/zinc/61/26/69/1018612669.db2.gz DFHGUGMAURETLF-QMTHXVAHSA-N -1 0 316.354 -0.787 20 0 DBADRM Cn1cnnc1COCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC001605528659 1018612772 /nfs/dbraw/zinc/61/27/72/1018612772.db2.gz PNBRDSPZYGBYNV-UHFFFAOYSA-N -1 0 312.326 -0.576 20 0 DBADRM CCOC(=O)Cn1ccc(NC(=O)NC[C@H](O)CC(=O)[O-])n1 ZINC001605543574 1018615851 /nfs/dbraw/zinc/61/58/51/1018615851.db2.gz NQGHPSOEDOFGTL-MRVPVSSYSA-N -1 0 314.298 -0.597 20 0 DBADRM CCOC(=O)CCCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001605538056 1018616949 /nfs/dbraw/zinc/61/69/49/1018616949.db2.gz LAUKMEJHRFBEFP-JTQLQIEISA-N -1 0 314.338 -0.231 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCNC(=O)c1cccnc1 ZINC001605539204 1018617001 /nfs/dbraw/zinc/61/70/01/1018617001.db2.gz PQCMVZAGKRPAQD-UHFFFAOYSA-N -1 0 317.305 -0.327 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CCN(CC(=O)NC2CC2)CC1 ZINC001605539283 1018617296 /nfs/dbraw/zinc/61/72/96/1018617296.db2.gz VLXUFTRBUCRRBV-UHFFFAOYSA-N -1 0 321.381 -0.486 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN[C@H]1CCN(C2CCOCC2)C1=O ZINC001605538631 1018617553 /nfs/dbraw/zinc/61/75/53/1018617553.db2.gz BDJYELIXQTYPOR-LBPRGKRZSA-N -1 0 322.365 -0.012 20 0 DBADRM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cn1cc(C(=O)[O-])nn1 ZINC001605534471 1018617756 /nfs/dbraw/zinc/61/77/56/1018617756.db2.gz BASFFTMPTLEYJP-ZJUUUORDSA-N -1 0 312.326 -0.024 20 0 DBADRM CCOC(=O)COCCNS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001605542576 1018618102 /nfs/dbraw/zinc/61/81/02/1018618102.db2.gz PYPYQFUVEKVOGJ-UHFFFAOYSA-N -1 0 311.356 -0.404 20 0 DBADRM CCOC(=O)N1C[C@H](NCc2cc(C(=O)[O-])no2)[C@@H](CO)C1 ZINC001605547295 1018619215 /nfs/dbraw/zinc/61/92/15/1018619215.db2.gz MHERZXJCPOGGBT-KCJUWKMLSA-N -1 0 313.310 -0.088 20 0 DBADRM CCOC(=O)[C@H](COC)NC(=O)CCc1ocnc1C(=O)[O-] ZINC001605557693 1018619523 /nfs/dbraw/zinc/61/95/23/1018619523.db2.gz DCBGKDDYSSGLNX-QMMMGPOBSA-N -1 0 314.294 0.000 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001605545578 1018622004 /nfs/dbraw/zinc/62/20/04/1018622004.db2.gz OGXNGZZHZWYVGY-VIFPVBQESA-N -1 0 322.321 -0.536 20 0 DBADRM Cn1nc(CNC(=O)c2cn(CC(=O)[O-])nn2)cc1C1CC1 ZINC001605545588 1018622364 /nfs/dbraw/zinc/62/23/64/1018622364.db2.gz OQKZVMIJESIMKP-UHFFFAOYSA-N -1 0 304.310 -0.096 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)C[C@@H]1CCCS1(=O)=O)C(=O)[O-] ZINC001605563929 1018623675 /nfs/dbraw/zinc/62/36/75/1018623675.db2.gz QRZCHVFFJWCVDT-GZMMTYOYSA-N -1 0 315.351 -0.371 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@@H]1CCCc2nn[nH]c21)C(=O)[O-] ZINC001605562474 1018624047 /nfs/dbraw/zinc/62/40/47/1018624047.db2.gz BJIXTZHWDVIYOA-RDDDGLTNSA-N -1 0 304.310 -0.100 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001605563943 1018624178 /nfs/dbraw/zinc/62/41/78/1018624178.db2.gz RLJSYOJHKVUQPB-WCBMZHEXSA-N -1 0 315.351 -0.513 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)c1cn2c(n1)COCC2)C(=O)[O-] ZINC001605568577 1018624979 /nfs/dbraw/zinc/62/49/79/1018624979.db2.gz WWAMFVTZSBMDJK-LLVKDONJSA-N -1 0 305.294 -0.298 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@H]1CCCc2nn[nH]c21)C(=O)[O-] ZINC001605562465 1018625618 /nfs/dbraw/zinc/62/56/18/1018625618.db2.gz BJIXTZHWDVIYOA-CPCISQLKSA-N -1 0 304.310 -0.100 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NCCS(=O)(=O)C2CC2)n1 ZINC001605580621 1018626419 /nfs/dbraw/zinc/62/64/19/1018626419.db2.gz BVAOFFJGMJJZJK-UHFFFAOYSA-N -1 0 309.355 -0.046 20 0 DBADRM Cn1nnnc1CCCNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001605575934 1018628320 /nfs/dbraw/zinc/62/83/20/1018628320.db2.gz HCLBDLMSVXDDHB-UHFFFAOYSA-N -1 0 311.342 -0.470 20 0 DBADRM CCOC(=O)c1nccc(NCCn2cc(C(=O)[O-])nn2)n1 ZINC001605582997 1018628525 /nfs/dbraw/zinc/62/85/25/1018628525.db2.gz UGVMUZBMLFFKED-UHFFFAOYSA-N -1 0 306.282 -0.523 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NC[C@H]2CN3CCN2CC3)n1 ZINC001605575987 1018629229 /nfs/dbraw/zinc/62/92/29/1018629229.db2.gz REPKHVKOEKZDBT-JTQLQIEISA-N -1 0 301.358 -0.623 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NCCNC(=O)c2cnco2)n1 ZINC001605580737 1018629417 /nfs/dbraw/zinc/62/94/17/1018629417.db2.gz KXTMIECPHVAHLE-UHFFFAOYSA-N -1 0 315.297 -0.205 20 0 DBADRM Cc1cc(C(=O)NCCNc2ccnc(-c3nnn[n-]3)n2)co1 ZINC001605614101 1018632313 /nfs/dbraw/zinc/63/23/13/1018632313.db2.gz VJHUANKODWYUJP-UHFFFAOYSA-N -1 0 314.309 -0.178 20 0 DBADRM CCOC1CN(C(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)C1 ZINC001605616670 1018634804 /nfs/dbraw/zinc/63/48/04/1018634804.db2.gz RHHIYGRUQGTFFZ-UHFFFAOYSA-N -1 0 310.310 -0.538 20 0 DBADRM CCOC1CC2(C[C@@H]2NC(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605614488 1018635756 /nfs/dbraw/zinc/63/57/56/1018635756.db2.gz FKSYLCJSAVUHTA-BENUGHJTSA-N -1 0 310.350 -0.103 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCn1cccn1 ZINC001605623837 1018635787 /nfs/dbraw/zinc/63/57/87/1018635787.db2.gz GOQLCXPTOZXJLV-JTQLQIEISA-N -1 0 305.356 -0.366 20 0 DBADRM CCOCC(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001605619144 1018635933 /nfs/dbraw/zinc/63/59/33/1018635933.db2.gz UAZFDVXVTVKVMY-NXEZZACHSA-N -1 0 324.337 -0.733 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC001605627222 1018637349 /nfs/dbraw/zinc/63/73/49/1018637349.db2.gz XKXIOGWLDUBOCV-GPYPMJJRSA-N -1 0 307.262 -0.263 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC001605627255 1018637374 /nfs/dbraw/zinc/63/73/74/1018637374.db2.gz YYKRUUZSJCMBNR-JTQLQIEISA-N -1 0 320.305 -0.186 20 0 DBADRM NC(=O)C1(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CCC1 ZINC001605627083 1018637559 /nfs/dbraw/zinc/63/75/59/1018637559.db2.gz SPYJDZVJMITRQX-VIFPVBQESA-N -1 0 311.338 -0.776 20 0 DBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)C1(C(=O)[O-])CC=CC1 ZINC001605627637 1018637770 /nfs/dbraw/zinc/63/77/70/1018637770.db2.gz JCBSCPFJRIZDPK-JTQLQIEISA-N -1 0 324.333 -0.183 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CCO1 ZINC001605627394 1018637985 /nfs/dbraw/zinc/63/79/85/1018637985.db2.gz ABNYQVXRFQRKIX-GMTAPVOTSA-N -1 0 314.338 -0.641 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)Nc2cc(C(=O)[O-])ccn2)O1 ZINC001605626666 1018638039 /nfs/dbraw/zinc/63/80/39/1018638039.db2.gz IJSHAHXCECXQNQ-IUCAKERBSA-N -1 0 308.294 -0.066 20 0 DBADRM NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001605626794 1018638341 /nfs/dbraw/zinc/63/83/41/1018638341.db2.gz MHCFDNMEOCAHRP-SECBINFHSA-N -1 0 302.290 -0.066 20 0 DBADRM NC(=O)C1(NC(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001605627071 1018638416 /nfs/dbraw/zinc/63/84/16/1018638416.db2.gz RWOFVQBQIXUSMO-UHFFFAOYSA-N -1 0 319.317 -0.224 20 0 DBADRM NC(=O)[C@H]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC001605627186 1018638583 /nfs/dbraw/zinc/63/85/83/1018638583.db2.gz WFPSWEBUUNUMAQ-KIGUWFBYSA-N -1 0 310.350 -0.162 20 0 DBADRM CCOCCOCCN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001605639753 1018639750 /nfs/dbraw/zinc/63/97/50/1018639750.db2.gz RVUQJJKISVVRBZ-NSHDSACASA-N -1 0 309.384 -0.387 20 0 DBADRM NC(=O)c1cc(CNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)on1 ZINC001605638506 1018639996 /nfs/dbraw/zinc/63/99/96/1018639996.db2.gz DVISEWVONHUQPT-JGVFFNPUSA-N -1 0 311.294 -0.340 20 0 DBADRM CCOCCOC[C@@H](O)CNC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001605639967 1018640577 /nfs/dbraw/zinc/64/05/77/1018640577.db2.gz ZYANIMCXLYJHQW-VIFPVBQESA-N -1 0 300.311 -0.143 20 0 DBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cc1F ZINC001605641662 1018640736 /nfs/dbraw/zinc/64/07/36/1018640736.db2.gz YJDWQUFIDQUSGV-JTQLQIEISA-N -1 0 323.280 -0.061 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)o1 ZINC001605638480 1018640747 /nfs/dbraw/zinc/64/07/47/1018640747.db2.gz CAYAPBZWQRVIKQ-QMMMGPOBSA-N -1 0 323.305 -0.426 20 0 DBADRM NC(=O)Cc1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC001605634893 1018640787 /nfs/dbraw/zinc/64/07/87/1018640787.db2.gz VKKAKKVJNUUCFT-GFCCVEGCSA-N -1 0 321.333 -0.291 20 0 DBADRM CCON(C)C(=O)CNC(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001605647498 1018642763 /nfs/dbraw/zinc/64/27/63/1018642763.db2.gz UAZLBRAIDUIQCZ-GFCCVEGCSA-N -1 0 303.315 -0.719 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cs1 ZINC001605649649 1018643461 /nfs/dbraw/zinc/64/34/61/1018643461.db2.gz GLFVLYORLHHCNG-LURJTMIESA-N -1 0 319.320 -0.437 20 0 DBADRM N[C@@H](CC(=O)[O-])c1noc(CS[C@@H]2CCS(=O)(=O)C2)n1 ZINC001605653507 1018644935 /nfs/dbraw/zinc/64/49/35/1018644935.db2.gz MRZQDWVGHTXOSJ-RQJHMYQMSA-N -1 0 321.380 -0.036 20 0 DBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCO)C1=O ZINC001605681941 1018645079 /nfs/dbraw/zinc/64/50/79/1018645079.db2.gz JFVUNFPFMRTHOD-WCQYABFASA-N -1 0 306.318 -0.088 20 0 DBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCO)C1=O ZINC001605681931 1018645274 /nfs/dbraw/zinc/64/52/74/1018645274.db2.gz JFVUNFPFMRTHOD-AAEUAGOBSA-N -1 0 306.318 -0.088 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)C1CCS(=O)(=O)CC1)C2 ZINC001605659951 1018646061 /nfs/dbraw/zinc/64/60/61/1018646061.db2.gz GDZJEUDGHCOEJO-GWCFXTLKSA-N -1 0 317.363 -0.629 20 0 DBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCO)C1=O ZINC001605681942 1018646180 /nfs/dbraw/zinc/64/61/80/1018646180.db2.gz JFVUNFPFMRTHOD-YPMHNXCESA-N -1 0 306.318 -0.088 20 0 DBADRM Nc1nn2c(nc(CN[C@H](C(=O)[O-])c3ccccc3)cc2=O)[nH]1 ZINC001605659954 1018646396 /nfs/dbraw/zinc/64/63/96/1018646396.db2.gz GFFGTVKLFAMEGD-NSHDSACASA-N -1 0 314.305 -0.085 20 0 DBADRM O=C(CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-])NC1CCCCC1 ZINC001605693736 1018646782 /nfs/dbraw/zinc/64/67/82/1018646782.db2.gz CKYWNZNFVVPILB-LLVKDONJSA-N -1 0 318.395 -0.381 20 0 DBADRM O=C([O-])c1cc(NC(=O)CCN2C(=O)CCNC2=S)[nH]n1 ZINC001605680583 1018647006 /nfs/dbraw/zinc/64/70/06/1018647006.db2.gz VYCIJVGMPLHWFP-UHFFFAOYSA-N -1 0 311.323 -0.457 20 0 DBADRM Nc1cccc(S(=O)(=O)NCCOCCOCC(=O)[O-])c1 ZINC001605654825 1018647016 /nfs/dbraw/zinc/64/70/16/1018647016.db2.gz SESCDGMOEVYHOO-UHFFFAOYSA-N -1 0 318.351 -0.335 20 0 DBADRM O=C([O-])C1(NC(=O)CNC(=O)c2ncccc2O)CCOCC1 ZINC001605698602 1018648437 /nfs/dbraw/zinc/64/84/37/1018648437.db2.gz HUICIQVHXHMSEL-UHFFFAOYSA-N -1 0 323.305 -0.733 20 0 DBADRM CCS(=O)(=O)CC(=O)Nc1c(C(=O)[O-])c[nH]c1C(=O)OC ZINC001605718630 1018649011 /nfs/dbraw/zinc/64/90/11/1018649011.db2.gz KAOTXPWLNYGVRI-UHFFFAOYSA-N -1 0 318.307 -0.127 20 0 DBADRM O=C([O-])C1CN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)C1 ZINC001605709568 1018649417 /nfs/dbraw/zinc/64/94/17/1018649417.db2.gz NCNUEYXSDNJAQP-LBPRGKRZSA-N -1 0 324.308 -0.612 20 0 DBADRM CCOc1ccccc1C(=O)NCC(=O)N[C@@H](CO)C(=O)[O-] ZINC001605715424 1018650573 /nfs/dbraw/zinc/65/05/73/1018650573.db2.gz SYBSJCMXQIIACE-JTQLQIEISA-N -1 0 310.306 -0.623 20 0 DBADRM CCOc1cccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001605707932 1018650750 /nfs/dbraw/zinc/65/07/50/1018650750.db2.gz VZRHLBXWZUZYDL-JTQLQIEISA-N -1 0 310.306 -0.024 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001605727607 1018651630 /nfs/dbraw/zinc/65/16/30/1018651630.db2.gz HRRMGRWIMRSZPI-UHFFFAOYSA-N -1 0 318.355 -0.973 20 0 DBADRM O=C([O-])c1cc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)[nH]n1 ZINC001605725167 1018653150 /nfs/dbraw/zinc/65/31/50/1018653150.db2.gz GMFLNXQSVUAVSM-UHFFFAOYSA-N -1 0 318.293 -0.165 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)NC2CC(C(=O)[O-])C2)CC1 ZINC001605726412 1018653271 /nfs/dbraw/zinc/65/32/71/1018653271.db2.gz STQWGAFVOZQMEL-UHFFFAOYSA-N -1 0 319.383 -0.474 20 0 DBADRM CCS(=O)(=O)c1ccc(C(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC001605731861 1018654352 /nfs/dbraw/zinc/65/43/52/1018654352.db2.gz RAHXIVPMGGQPFZ-JTQLQIEISA-N -1 0 301.320 -0.345 20 0 DBADRM O=C([O-])C1(NC(=O)[C@H]2CCCS(=O)(=O)C2)CCOCC1 ZINC001605741191 1018654991 /nfs/dbraw/zinc/65/49/91/1018654991.db2.gz GVRADOAXNJMJGM-VIFPVBQESA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2cccnc2)cn1 ZINC001605729145 1018654451 /nfs/dbraw/zinc/65/44/51/1018654451.db2.gz IELZPVRUJZELLN-STQMWFEESA-N -1 0 317.301 -0.001 20 0 DBADRM CCS(=O)(=O)NCC(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001605728146 1018655361 /nfs/dbraw/zinc/65/53/61/1018655361.db2.gz ZAYROISKHUGZFU-UHFFFAOYSA-N -1 0 317.367 -0.413 20 0 DBADRM CC[S@](=O)CCN1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001605734928 1018656569 /nfs/dbraw/zinc/65/65/69/1018656569.db2.gz ARIWTVWWVCPVKC-WDKLKTEZSA-N -1 0 302.352 -0.118 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccc(F)cc1 ZINC001605731659 1018657051 /nfs/dbraw/zinc/65/70/51/1018657051.db2.gz QZECGEATARIQOH-UWVGGRQHSA-N -1 0 316.310 -0.241 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NC[C@H]2CCCNC2=O)c1 ZINC001605769374 1018657555 /nfs/dbraw/zinc/65/75/55/1018657555.db2.gz YVAUJIKMVMBVJA-MRVPVSSYSA-N -1 0 320.305 -0.639 20 0 DBADRM CC[C@H](C)[C@H](NS(=O)(=O)c1cccnc1C(=O)[O-])C(N)=O ZINC001605759124 1018657655 /nfs/dbraw/zinc/65/76/55/1018657655.db2.gz CKECPCBFAZVAKV-CBAPKCEASA-N -1 0 315.351 -0.042 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C(N)=O ZINC001605757386 1018659072 /nfs/dbraw/zinc/65/90/72/1018659072.db2.gz YLHVXNKKEXVGLB-QCLAVDOMSA-N -1 0 301.343 -0.325 20 0 DBADRM CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001605754171 1018659661 /nfs/dbraw/zinc/65/96/61/1018659661.db2.gz IMDWLIUMTVGUBF-MXWKQRLJSA-N -1 0 314.338 -0.628 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001605752580 1018660084 /nfs/dbraw/zinc/66/00/84/1018660084.db2.gz ISSITCGVYKHBAO-PSASIEDQSA-N -1 0 306.322 -0.684 20 0 DBADRM O=C([O-])C1CN(C(=O)COCCNC(=O)c2ccccc2)C1 ZINC001605782784 1018660748 /nfs/dbraw/zinc/66/07/48/1018660748.db2.gz MGNOONIIXDJGAB-UHFFFAOYSA-N -1 0 306.318 -0.024 20 0 DBADRM CCc1nnc([C@@H](C)[S@](=O)C[C@H](NC(C)=O)C(=O)[O-])[nH]1 ZINC001605842583 1018664692 /nfs/dbraw/zinc/66/46/92/1018664692.db2.gz NDKQIJZMIKWFQO-NVCUEICFSA-N -1 0 302.356 -0.234 20 0 DBADRM CCc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n(C)n1 ZINC001605785244 1018662003 /nfs/dbraw/zinc/66/20/03/1018662003.db2.gz PZANZTRMAQHTKC-QWRGUYRKSA-N -1 0 320.349 -0.356 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001605794958 1018663439 /nfs/dbraw/zinc/66/34/39/1018663439.db2.gz PLHJXFKWQCLFJX-SECBINFHSA-N -1 0 322.350 -0.195 20 0 DBADRM CCc1cc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n[nH]1 ZINC001605798732 1018663598 /nfs/dbraw/zinc/66/35/98/1018663598.db2.gz VIJYETBVWRVYQD-NSHDSACASA-N -1 0 308.338 -0.089 20 0 DBADRM CCc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])[nH]n1 ZINC001605785167 1018663801 /nfs/dbraw/zinc/66/38/01/1018663801.db2.gz MXGVLXPJJZYWLT-SECBINFHSA-N -1 0 315.351 -0.314 20 0 DBADRM CCc1nnc(CNC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)[nH]1 ZINC001605850551 1018664451 /nfs/dbraw/zinc/66/44/51/1018664451.db2.gz PQVGTCZVXIOEJL-NSHDSACASA-N -1 0 311.342 -0.266 20 0 DBADRM O=C(NCc1cn(C2CC2)c(=O)[nH]c1=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001605814028 1018664995 /nfs/dbraw/zinc/66/49/95/1018664995.db2.gz UIKZJRQHQQAZPE-XWEPSHTISA-N -1 0 322.321 -0.054 20 0 DBADRM CCc1nnc([C@H](C)[S@](=O)C[C@H](NC(C)=O)C(=O)[O-])[nH]1 ZINC001605842584 1018665134 /nfs/dbraw/zinc/66/51/34/1018665134.db2.gz NDKQIJZMIKWFQO-VKUHFZAESA-N -1 0 302.356 -0.234 20 0 DBADRM CCc1n[nH]c(=O)c(C(=O)N2CC[C@](O)(C(=O)[O-])C2)c1CC ZINC001605842117 1018667052 /nfs/dbraw/zinc/66/70/52/1018667052.db2.gz CHRYVVFHZJEANB-CQSZACIVSA-N -1 0 309.322 -0.031 20 0 DBADRM CCc1nnc(CN2C(=O)[C@H]3CC[C@@H](C(=O)[O-])CN3C2=O)[nH]1 ZINC001605851524 1018667167 /nfs/dbraw/zinc/66/71/67/1018667167.db2.gz GWQKIDZEKONELV-HTQZYQBOSA-N -1 0 307.310 -0.006 20 0 DBADRM CCc1ncncc1C(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605863964 1018667974 /nfs/dbraw/zinc/66/79/74/1018667974.db2.gz UWCQZAICENKRRB-ZJUUUORDSA-N -1 0 318.333 -0.300 20 0 DBADRM CCc1nnc(N2CCC(C(=O)[O-])CC2)n1Cc1nnn(C)n1 ZINC001605872042 1018668783 /nfs/dbraw/zinc/66/87/83/1018668783.db2.gz OCLOETROLQMROZ-UHFFFAOYSA-N -1 0 320.357 -0.287 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC001605866383 1018668968 /nfs/dbraw/zinc/66/89/68/1018668968.db2.gz DMCZCNVZJGEHIB-RMLUDKJBSA-N -1 0 305.290 -0.298 20 0 DBADRM CCc1nn(C)c(OC)c1CNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001605865629 1018669255 /nfs/dbraw/zinc/66/92/55/1018669255.db2.gz HMQIKBCNLPMUMQ-UHFFFAOYSA-N -1 0 322.325 -0.403 20 0 DBADRM CCc1noc(COCC(=O)NC[C@]2(C(=O)[O-])CCOC2)n1 ZINC001605877194 1018669307 /nfs/dbraw/zinc/66/93/07/1018669307.db2.gz FRHUIOSDVIHNON-CYBMUJFWSA-N -1 0 313.310 -0.244 20 0 DBADRM CCc1noc(CN2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001605877658 1018669547 /nfs/dbraw/zinc/66/95/47/1018669547.db2.gz PVIUYDLOEOBWOF-NXEZZACHSA-N -1 0 308.338 -0.005 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H](O)Cc2ccccc2)CC1 ZINC001605885425 1018669778 /nfs/dbraw/zinc/66/97/78/1018669778.db2.gz HHWBPOBITRSBOP-LBPRGKRZSA-N -1 0 306.318 -0.655 20 0 DBADRM CCc1nn(C)c(CC)c1CC(=O)NCC(=O)NCC(=O)[O-] ZINC001605865311 1018669909 /nfs/dbraw/zinc/66/99/09/1018669909.db2.gz WQKCYJUJPUXDPI-UHFFFAOYSA-N -1 0 310.354 -0.596 20 0 DBADRM CCc1nocc1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001605880259 1018670125 /nfs/dbraw/zinc/67/01/25/1018670125.db2.gz MHFKSUJIEQCMAV-QMMMGPOBSA-N -1 0 316.335 -0.049 20 0 DBADRM CCc1ncncc1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001605863959 1018670131 /nfs/dbraw/zinc/67/01/31/1018670131.db2.gz UWCQZAICENKRRB-NXEZZACHSA-N -1 0 318.333 -0.300 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@H](O)CC2(CO)CCCC2)CC1 ZINC001605885701 1018671333 /nfs/dbraw/zinc/67/13/33/1018671333.db2.gz FMYHGAVNYONSCL-GFCCVEGCSA-N -1 0 314.382 -0.481 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC(CO)(CO)CC2)CCOCC1 ZINC001605909254 1018671396 /nfs/dbraw/zinc/67/13/96/1018671396.db2.gz PLHNBCSUBZUANP-UHFFFAOYSA-N -1 0 301.339 -0.539 20 0 DBADRM CCn1c([C@@H]2CCNC(=O)C2)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001605908398 1018672103 /nfs/dbraw/zinc/67/21/03/1018672103.db2.gz WVGNYPHEOOXSEA-NXEZZACHSA-N -1 0 323.353 -0.419 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21)C1CC1 ZINC001605893055 1018672140 /nfs/dbraw/zinc/67/21/40/1018672140.db2.gz LSYQWQUEJZLXRP-AXFHLTTASA-N -1 0 317.363 -0.488 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)C2=C[S@@](=O)CCC2)CC1 ZINC001605885794 1018672479 /nfs/dbraw/zinc/67/24/79/1018672479.db2.gz RAXHMQFTHGYBRF-FQEVSTJZSA-N -1 0 300.336 -0.832 20 0 DBADRM CCn1c(CS(C)(=O)=O)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001605907120 1018672445 /nfs/dbraw/zinc/67/24/45/1018672445.db2.gz YKNZLQKQKWBOOG-QMMMGPOBSA-N -1 0 302.356 -0.247 20 0 DBADRM CCn1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001605915510 1018674110 /nfs/dbraw/zinc/67/41/10/1018674110.db2.gz PSINRGJNTXXBAC-VXGBXAGGSA-N -1 0 320.349 -0.094 20 0 DBADRM O=C([O-])C1(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)CC1 ZINC001605916593 1018674873 /nfs/dbraw/zinc/67/48/73/1018674873.db2.gz VQIWWLMIOALCRW-IUCAKERBSA-N -1 0 303.336 -0.734 20 0 DBADRM CCn1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001605915636 1018674950 /nfs/dbraw/zinc/67/49/50/1018674950.db2.gz SYWSBZWZEFPHIZ-VXGBXAGGSA-N -1 0 320.349 -0.188 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H]2CC23CC(O)C3)CCS(=O)(=O)CC1 ZINC001605917502 1018675070 /nfs/dbraw/zinc/67/50/70/1018675070.db2.gz RLWMCLZZEIUIRE-NBBOBHDQSA-N -1 0 317.363 -0.704 20 0 DBADRM CCn1cc(Br)c(C(=O)N2CC(O)(C(=O)[O-])C2)n1 ZINC001605915903 1018675140 /nfs/dbraw/zinc/67/51/40/1018675140.db2.gz WZDSOZCROMYLOF-UHFFFAOYSA-N -1 0 318.127 -0.063 20 0 DBADRM O=C([O-])C1(C(=O)N[C@H](CO)C2CC2)CCS(=O)(=O)CC1 ZINC001605917045 1018675486 /nfs/dbraw/zinc/67/54/86/1018675486.db2.gz JPHXCUPTCRLHIJ-SECBINFHSA-N -1 0 305.352 -0.847 20 0 DBADRM O=C([O-])C1(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)CC1 ZINC001605916592 1018675569 /nfs/dbraw/zinc/67/55/69/1018675569.db2.gz VQIWWLMIOALCRW-DTWKUNHWSA-N -1 0 303.336 -0.734 20 0 DBADRM O=C([O-])C1(C(=O)NCc2ccccn2)CCS(=O)(=O)CC1 ZINC001605929794 1018677023 /nfs/dbraw/zinc/67/70/23/1018677023.db2.gz JSYARLMEEQYLPK-UHFFFAOYSA-N -1 0 312.347 -0.023 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])n1 ZINC001605939685 1018677911 /nfs/dbraw/zinc/67/79/11/1018677911.db2.gz JITRSFWYDVAACY-SNVBAGLBSA-N -1 0 323.353 -0.312 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001605947185 1018679873 /nfs/dbraw/zinc/67/98/73/1018679873.db2.gz YSJYYUZIEUTXFK-WPRPVWTQSA-N -1 0 309.326 -0.764 20 0 DBADRM CCn1ncc(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)n1 ZINC001605941640 1018679952 /nfs/dbraw/zinc/67/99/52/1018679952.db2.gz SZCFHBUKXAXREV-UHFFFAOYSA-N -1 0 319.325 -0.560 20 0 DBADRM CCn1nc(C)c(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC001605940073 1018680198 /nfs/dbraw/zinc/68/01/98/1018680198.db2.gz UHHRECHMQAWTBV-SNVBAGLBSA-N -1 0 311.342 -0.008 20 0 DBADRM CCn1nccc1C(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-] ZINC001605944879 1018680311 /nfs/dbraw/zinc/68/03/11/1018680311.db2.gz CERNVDRXTUUMLR-UHFFFAOYSA-N -1 0 309.282 -0.052 20 0 DBADRM O=C([O-])C1(C(=O)OC[C@H]2CCCO2)CCS(=O)(=O)CC1 ZINC001605952443 1018681676 /nfs/dbraw/zinc/68/16/76/1018681676.db2.gz WUTDUKCCVAVYGJ-SECBINFHSA-N -1 0 306.336 -0.012 20 0 DBADRM Cc1ccnc(COC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001605955031 1018681792 /nfs/dbraw/zinc/68/17/92/1018681792.db2.gz QMZXCOTYVPKHCX-MRVPVSSYSA-N -1 0 315.297 -0.139 20 0 DBADRM Cc1ccnc(Cn2c(=O)c(-c3nnn[n-]3)c(C)n(C)c2=O)c1 ZINC001605954616 1018681892 /nfs/dbraw/zinc/68/18/92/1018681892.db2.gz KOCRDKDULZJRIM-UHFFFAOYSA-N -1 0 313.321 -0.213 20 0 DBADRM CN(C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)C1CC(C)(C)C1 ZINC001605951013 1018682119 /nfs/dbraw/zinc/68/21/19/1018682119.db2.gz FQHWWOVRKJLEQM-ONGXEEELSA-N -1 0 312.366 -0.073 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CCN(Cc2nnn(C)n2)CC1 ZINC001605955752 1018682858 /nfs/dbraw/zinc/68/28/58/1018682858.db2.gz CHYCMMOZIJVSRB-GHMZBOCLSA-N -1 0 322.369 -0.646 20 0 DBADRM CN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(C)(C)CC(=O)[O-] ZINC001605956981 1018682900 /nfs/dbraw/zinc/68/29/00/1018682900.db2.gz MSQIBNGWAPNQSO-SECBINFHSA-N -1 0 321.399 -0.386 20 0 DBADRM CN(C(=O)CCNS(C)(=O)=O)[C@@H](COC1CCC1)C(=O)[O-] ZINC001605961393 1018684082 /nfs/dbraw/zinc/68/40/82/1018684082.db2.gz GIJUJCWEQRMMCS-JTQLQIEISA-N -1 0 322.383 -0.594 20 0 DBADRM CN(C(=O)Cc1cc[nH]n1)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605966453 1018684402 /nfs/dbraw/zinc/68/44/02/1018684402.db2.gz MXBXXYDUWILHAD-MNOVXSKESA-N -1 0 306.322 -0.658 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2ccn(C)n2)C1 ZINC001605958210 1018684911 /nfs/dbraw/zinc/68/49/11/1018684911.db2.gz XKNFVDGPNHMYAH-VHSXEESVSA-N -1 0 306.322 -0.576 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCCc2nnc3ccccn32)C1 ZINC001605967951 1018684920 /nfs/dbraw/zinc/68/49/20/1018684920.db2.gz QGTWIKZQIJVYCX-VIFPVBQESA-N -1 0 303.278 -0.383 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2ccn(C)n2)C1 ZINC001605958209 1018685072 /nfs/dbraw/zinc/68/50/72/1018685072.db2.gz XKNFVDGPNHMYAH-UWVGGRQHSA-N -1 0 306.322 -0.576 20 0 DBADRM CN(C(=O)CN1CCS(=O)(=O)CC1)C(C)(C)CC(=O)[O-] ZINC001605962265 1018685551 /nfs/dbraw/zinc/68/55/51/1018685551.db2.gz LKIDIWMKMWTVRB-UHFFFAOYSA-N -1 0 306.384 -0.572 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)C1 ZINC001605964337 1018685750 /nfs/dbraw/zinc/68/57/50/1018685750.db2.gz ZRETXSTVYULBDF-SPFNVWMYSA-N -1 0 312.322 -0.396 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)C1 ZINC001605964333 1018685786 /nfs/dbraw/zinc/68/57/86/1018685786.db2.gz ZRETXSTVYULBDF-LSKIRQOJSA-N -1 0 312.322 -0.396 20 0 DBADRM CN(C(=O)c1ccnnc1)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605985371 1018686942 /nfs/dbraw/zinc/68/69/42/1018686942.db2.gz JEBSSXDIQHKGNH-QWRGUYRKSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)c1c[nH]c(=O)n1C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001605977933 1018687536 /nfs/dbraw/zinc/68/75/36/1018687536.db2.gz WQSMISWYXPNCJU-DTWKUNHWSA-N -1 0 322.321 -0.871 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CCC(CN3CCNC3=O)CC2)C1 ZINC001605977755 1018687659 /nfs/dbraw/zinc/68/76/59/1018687659.db2.gz MEXKPNPHCZIVRR-LBPRGKRZSA-N -1 0 324.381 -0.386 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC001606045793 1018706694 /nfs/dbraw/zinc/70/66/94/1018706694.db2.gz RMMFCEUNEADICH-YYSFKGJASA-N -1 0 313.401 -0.352 20 0 DBADRM CN(C(=O)c1ccc(S(N)(=O)=O)cn1)C(C)(C)C(=O)[O-] ZINC001605982126 1018688219 /nfs/dbraw/zinc/68/82/19/1018688219.db2.gz LNFZRSHJEWRMIH-UHFFFAOYSA-N -1 0 301.324 -0.336 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCC(Cn3ccnn3)CC2)C1 ZINC001605977412 1018689235 /nfs/dbraw/zinc/68/92/35/1018689235.db2.gz KXZXPAOHHSSUOW-GFCCVEGCSA-N -1 0 307.354 -0.119 20 0 DBADRM CN(C(=O)c1c[nH]c(=O)n1C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605977932 1018689250 /nfs/dbraw/zinc/68/92/50/1018689250.db2.gz WQSMISWYXPNCJU-BDAKNGLRSA-N -1 0 322.321 -0.871 20 0 DBADRM O=C([O-])[C@H]1CCCN1Cc1cn(C[C@@H](O)Cn2cccn2)nn1 ZINC001605999683 1018690186 /nfs/dbraw/zinc/69/01/86/1018690186.db2.gz WZLGKYBLQXKHSM-QWHCGFSZSA-N -1 0 320.353 -0.415 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@H](n3cccn3)C2)CC1 ZINC001606000028 1018690789 /nfs/dbraw/zinc/69/07/89/1018690789.db2.gz LUFLXCRLZYJPLO-LBPRGKRZSA-N -1 0 320.349 -0.020 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCC(C3(O)CC3)CC2)C1 ZINC001606000195 1018690929 /nfs/dbraw/zinc/69/09/29/1018690929.db2.gz RVCXGUWLFZSELH-JTQLQIEISA-N -1 0 310.350 -0.317 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)Cn2cc(C(=O)[O-])cn2)cn1 ZINC001606000497 1018691120 /nfs/dbraw/zinc/69/11/20/1018691120.db2.gz UPHKGABUNFAGLA-UHFFFAOYSA-N -1 0 320.309 -0.495 20 0 DBADRM CN(C)C(=O)COc1ccccc1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001605996625 1018691140 /nfs/dbraw/zinc/69/11/40/1018691140.db2.gz ITOPMNMDCGTKAS-UHFFFAOYSA-N -1 0 322.317 -0.575 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)C1 ZINC001605999904 1018691652 /nfs/dbraw/zinc/69/16/52/1018691652.db2.gz GDDFSEPCGMVSGW-ONGXEEELSA-N -1 0 323.349 -0.811 20 0 DBADRM CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001605993622 1018692002 /nfs/dbraw/zinc/69/20/02/1018692002.db2.gz GUDUJBCEMGMARL-JTQLQIEISA-N -1 0 318.395 -0.019 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001606004299 1018692970 /nfs/dbraw/zinc/69/29/70/1018692970.db2.gz LGKIRZDBSYHUPB-SNVBAGLBSA-N -1 0 323.353 -0.157 20 0 DBADRM CN(C)C(=O)O[C@@H]1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001606003204 1018693201 /nfs/dbraw/zinc/69/32/01/1018693201.db2.gz VXHBZUNEAGQQQI-SECBINFHSA-N -1 0 310.310 -0.120 20 0 DBADRM CN(C)C(=O)O[C@H]1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001606002454 1018693461 /nfs/dbraw/zinc/69/34/61/1018693461.db2.gz GGQQXNRUKDXPKH-JTQLQIEISA-N -1 0 310.310 -0.120 20 0 DBADRM CN(C)C(=O)N1CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)CC1 ZINC001606003702 1018694225 /nfs/dbraw/zinc/69/42/25/1018694225.db2.gz CLJDSJGZTTZRGB-LLVKDONJSA-N -1 0 312.370 -0.639 20 0 DBADRM C[NH+](C)CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001606026915 1018701429 /nfs/dbraw/zinc/70/14/29/1018701429.db2.gz XXPKLCXFYSGIEW-UHFFFAOYSA-N -1 0 320.323 -0.385 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001606037080 1018702535 /nfs/dbraw/zinc/70/25/35/1018702535.db2.gz AEDKNFXGNIAYLV-SSDOTTSWSA-N -1 0 314.310 -0.411 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001606037941 1018702785 /nfs/dbraw/zinc/70/27/85/1018702785.db2.gz RDTMQXCXTMZZLC-UWVGGRQHSA-N -1 0 322.383 -0.879 20 0 DBADRM CN(C)Cc1nc(CNS(=O)(=O)N(C)CCC(=O)[O-])co1 ZINC001606036980 1018703036 /nfs/dbraw/zinc/70/30/36/1018703036.db2.gz KCYCXGUQSKSYTH-UHFFFAOYSA-N -1 0 320.371 -0.523 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2CCCC23OCCO3)CCO1 ZINC001606035348 1018703078 /nfs/dbraw/zinc/70/30/78/1018703078.db2.gz IVPDFPLRBLMOKR-NXEZZACHSA-N -1 0 300.311 -0.223 20 0 DBADRM O=C([O-])C1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC001606031347 1018704284 /nfs/dbraw/zinc/70/42/84/1018704284.db2.gz HRDYPCCOXMDISI-UHFFFAOYSA-N -1 0 311.319 -0.973 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001606045370 1018704911 /nfs/dbraw/zinc/70/49/11/1018704911.db2.gz JMGTVTIODTVNME-FIKIJFGZSA-N -1 0 321.399 -0.755 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)CN1CCSC[C@@H](C(=O)[O-])C1 ZINC001606044786 1018705393 /nfs/dbraw/zinc/70/53/93/1018705393.db2.gz BBZFAVLJPCSXBH-LXGOIASLSA-N -1 0 323.440 -0.163 20 0 DBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001606039018 1018705414 /nfs/dbraw/zinc/70/54/14/1018705414.db2.gz ITAYHZUUPFHGPA-UHFFFAOYSA-N -1 0 319.339 -0.392 20 0 DBADRM O=C([O-])C1CN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC001606041527 1018705536 /nfs/dbraw/zinc/70/55/36/1018705536.db2.gz VJCCBMVBMDVBFW-UHFFFAOYSA-N -1 0 317.301 -0.105 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2C(=O)[C@]3(CCCO3)[C@@H]2C2CC2)CCO1 ZINC001606046442 1018706032 /nfs/dbraw/zinc/70/60/32/1018706032.db2.gz OOKLEKYKBYLBSR-HUBLWGQQSA-N -1 0 310.350 -0.101 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)c1cc(C(=O)[O-])ccn1 ZINC001606039380 1018706475 /nfs/dbraw/zinc/70/64/75/1018706475.db2.gz QPENPUBLSXCUEK-UHFFFAOYSA-N -1 0 301.324 -0.599 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)CCC(=O)[O-])c1 ZINC001606041039 1018706510 /nfs/dbraw/zinc/70/65/10/1018706510.db2.gz AQYROVKYSKLTLD-UHFFFAOYSA-N -1 0 316.335 -0.468 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CCO[C@@H]1CCCCO1 ZINC001606056925 1018708331 /nfs/dbraw/zinc/70/83/31/1018708331.db2.gz GLSIXVQQIPKYIP-WDEREUQCSA-N -1 0 307.368 -0.287 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(=O)[nH]c1 ZINC001606053642 1018709309 /nfs/dbraw/zinc/70/93/09/1018709309.db2.gz DLYRPVLUVKFAQX-VIFPVBQESA-N -1 0 314.319 -0.960 20 0 DBADRM CN(C)c1ncc(NC(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cn1 ZINC001606067919 1018709532 /nfs/dbraw/zinc/70/95/32/1018709532.db2.gz BHUFGCGLNXTLTG-SECBINFHSA-N -1 0 319.321 -0.229 20 0 DBADRM O=C([O-])CC1(C(=O)N[C@H](CO)Cc2c[nH]cn2)CCOCC1 ZINC001606072037 1018710224 /nfs/dbraw/zinc/71/02/24/1018710224.db2.gz XVGYFSVLSINDAG-NSHDSACASA-N -1 0 311.338 -0.299 20 0 DBADRM CN(CC(=O)N[C@@H](CC1CC1)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001606079471 1018711403 /nfs/dbraw/zinc/71/14/03/1018711403.db2.gz KIZOANVPUUGKLG-MNOVXSKESA-N -1 0 318.395 -0.525 20 0 DBADRM CN(C)c1nc(Cl)c(C(=O)NCC(=O)NCC(=O)[O-])s1 ZINC001606078519 1018712368 /nfs/dbraw/zinc/71/23/68/1018712368.db2.gz DLSQWMSWCMRLNB-UHFFFAOYSA-N -1 0 320.758 -0.207 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001606070283 1018712577 /nfs/dbraw/zinc/71/25/77/1018712577.db2.gz OUSMTONTQHSCCH-VIFPVBQESA-N -1 0 319.321 -0.229 20 0 DBADRM O=C([O-])CC1(C(=O)N2C[C@H](CO)[C@H](CO)C2)CCOCC1 ZINC001606070416 1018712634 /nfs/dbraw/zinc/71/26/34/1018712634.db2.gz GUDJBLNLGVLUEZ-PHIMTYICSA-N -1 0 301.339 -0.683 20 0 DBADRM CN(CC(C)(CO)CO)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001606089875 1018713314 /nfs/dbraw/zinc/71/33/14/1018713314.db2.gz GDFOFOUEGCBQTA-UHFFFAOYSA-N -1 0 318.351 -0.609 20 0 DBADRM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001606101561 1018716688 /nfs/dbraw/zinc/71/66/88/1018716688.db2.gz YZBPQDAXZMENKM-GUBZILKMSA-N -1 0 304.318 -0.465 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)NCCCNc1ncc(C(=O)[O-])cn1 ZINC001606186301 1018717838 /nfs/dbraw/zinc/71/78/38/1018717838.db2.gz HULVBJKLFXRBIT-JTQLQIEISA-N -1 0 321.337 -0.286 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001606094348 1018718026 /nfs/dbraw/zinc/71/80/26/1018718026.db2.gz URFHYXGQLCLQCO-OZVIIMIRSA-N -1 0 324.377 -0.071 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)OCc2cccc(C(=O)[O-])n2)C1=O ZINC001606186787 1018718349 /nfs/dbraw/zinc/71/83/49/1018718349.db2.gz IBLBAUVQPNYCRM-UHFFFAOYSA-N -1 0 321.245 -0.756 20 0 DBADRM CN(C[C@H](O)CN1CCOC[C@@H]1C(=O)[O-])CC(F)(F)F ZINC001606095704 1018719665 /nfs/dbraw/zinc/71/96/65/1018719665.db2.gz ONZZEXIYBHXBRZ-DTWKUNHWSA-N -1 0 300.277 -0.373 20 0 DBADRM CN(Cc1nnnn1C)C1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001606179275 1018720012 /nfs/dbraw/zinc/72/00/12/1018720012.db2.gz KJIYZWZRDRELRK-WDEREUQCSA-N -1 0 322.369 -0.646 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)[O-])cn2)C1=O ZINC001606187284 1018720357 /nfs/dbraw/zinc/72/03/57/1018720357.db2.gz NOPDSJPVOJDBPK-UHFFFAOYSA-N -1 0 306.234 -0.861 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H]2CCOC2)CO1 ZINC001606107171 1018720462 /nfs/dbraw/zinc/72/04/62/1018720462.db2.gz JLROMOYPEFVZRX-KXNHARMFSA-N -1 0 301.339 -0.230 20 0 DBADRM CN(Cc1nncn1C)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606179610 1018720614 /nfs/dbraw/zinc/72/06/14/1018720614.db2.gz VYIALZFPUNTUIA-VIFPVBQESA-N -1 0 309.326 -0.903 20 0 DBADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2ccnc(C(=O)[O-])n2)C1=O ZINC001606194175 1018721432 /nfs/dbraw/zinc/72/14/32/1018721432.db2.gz LFNQGWCJPHQQFF-XLKFXECMSA-N -1 0 319.321 -0.271 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H]2CCOC2)CO1 ZINC001606107175 1018721568 /nfs/dbraw/zinc/72/15/68/1018721568.db2.gz JLROMOYPEFVZRX-YFKTTZPYSA-N -1 0 301.339 -0.230 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)NCCOCC(=O)[O-])[C@@H]1c1cccnc1 ZINC001606192027 1018721684 /nfs/dbraw/zinc/72/16/84/1018721684.db2.gz TXALYXRWVMZJQG-RISCZKNCSA-N -1 0 321.333 -0.182 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNc2ccnc(C(=O)[O-])n2)C1=O ZINC001606194172 1018722077 /nfs/dbraw/zinc/72/20/77/1018722077.db2.gz LFNQGWCJPHQQFF-CLAHSXSESA-N -1 0 319.321 -0.271 20 0 DBADRM CN1CC(=O)Nc2cc(C(=O)N[C@@]3(C(=O)[O-])C[C@@H](O)C3)cnc21 ZINC001606197168 1018722205 /nfs/dbraw/zinc/72/22/05/1018722205.db2.gz QIHKISMEEQHJCO-XZWHAEGMSA-N -1 0 320.305 -0.822 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCc1cn(-c2ccccc2)nn1 ZINC001606190258 1018723134 /nfs/dbraw/zinc/72/31/34/1018723134.db2.gz IEOKPPPSJAYHCZ-UHFFFAOYSA-N -1 0 317.305 -0.526 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)NC[C@H](F)C(=O)[O-])CC2)C1=O ZINC001606194813 1018723246 /nfs/dbraw/zinc/72/32/46/1018723246.db2.gz VUDPDRLLAVYYJJ-ZETCQYMHSA-N -1 0 316.289 -0.865 20 0 DBADRM CN1CC(=O)N(CC(=O)NC(C)(C)c2nocc2C(=O)[O-])C1=O ZINC001606196771 1018723586 /nfs/dbraw/zinc/72/35/86/1018723586.db2.gz MXNPWNUEGXORDT-UHFFFAOYSA-N -1 0 324.293 -0.382 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1cnn(C)n1 ZINC001606121198 1018723928 /nfs/dbraw/zinc/72/39/28/1018723928.db2.gz RTGPUCMOTJIXFZ-NXEZZACHSA-N -1 0 323.353 -0.544 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])C[C@H]2C1=O ZINC001606193980 1018723960 /nfs/dbraw/zinc/72/39/60/1018723960.db2.gz HOAFVQIEFPDTAA-ZRUFSTJUSA-N -1 0 308.334 -0.049 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)NCc2nnc3n2CCOC3)CO1 ZINC001606112688 1018724581 /nfs/dbraw/zinc/72/45/81/1018724581.db2.gz XTTVCISRXDVTEC-ZJUUUORDSA-N -1 0 324.337 -0.306 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@@H](C(=O)[O-])c2cccs2)C1=O ZINC001606189849 1018724498 /nfs/dbraw/zinc/72/44/98/1018724498.db2.gz UEJVJEQGIWCVMH-SNVBAGLBSA-N -1 0 311.319 -0.116 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)CN1C[C@H](C(=O)[O-])CC1=O ZINC001606119435 1018725254 /nfs/dbraw/zinc/72/52/54/1018725254.db2.gz ZZMXADGWSYDCQC-NXEZZACHSA-N -1 0 304.368 -0.757 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)/C=C/c2cncc(O)c2)CC1=O ZINC001606197623 1018724974 /nfs/dbraw/zinc/72/49/74/1018724974.db2.gz HXIGBUJPEFSWOW-VUDBWIFFSA-N -1 0 305.290 -0.446 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)Cc2ccc3c(c2)OCO3)CC1=O ZINC001606199275 1018725719 /nfs/dbraw/zinc/72/57/19/1018725719.db2.gz CUYVBDFUBLYRJA-JTQLQIEISA-N -1 0 320.301 -0.288 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)Cn1cncn1 ZINC001606121061 1018725931 /nfs/dbraw/zinc/72/59/31/1018725931.db2.gz MKTVHTCFYIMJQY-GHMZBOCLSA-N -1 0 323.353 -0.694 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc3[nH]c(=O)oc3c2)CC1=O ZINC001606199911 1018726174 /nfs/dbraw/zinc/72/61/74/1018726174.db2.gz JQXVSQZDOXLIMW-SECBINFHSA-N -1 0 319.273 -0.099 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@@H]2C[C@]2(C)Br)CC1=O ZINC001606198168 1018726199 /nfs/dbraw/zinc/72/61/99/1018726199.db2.gz ROOMMFGAAHPLIQ-CVJICSNFSA-N -1 0 319.155 -0.086 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)/C=C\c2cncc(F)c2)CC1=O ZINC001606197854 1018727464 /nfs/dbraw/zinc/72/74/64/1018727464.db2.gz MUOOKEXGCLVSIT-QUCGXOGASA-N -1 0 307.281 -0.012 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)Cc2[nH]nc3ccccc32)CC1=O ZINC001606200245 1018727549 /nfs/dbraw/zinc/72/75/49/1018727549.db2.gz OEVIKYXRHHKHDI-GFCCVEGCSA-N -1 0 316.317 -0.141 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C[C@@H]2CCC3(CCOCC3)O2)CC1=O ZINC001606204478 1018728280 /nfs/dbraw/zinc/72/82/80/1018728280.db2.gz UAYPWGOSLBLRDJ-NWDGAFQWSA-N -1 0 312.366 -0.058 20 0 DBADRM Cc1nn(CC2N=NC(=O)S2)c(=O)c(-c2nnn[n-]2)c1C ZINC001606116123 1018728802 /nfs/dbraw/zinc/72/88/02/1018728802.db2.gz OEKXJYXBZVYQSN-UHFFFAOYSA-N -1 0 306.311 -0.354 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)CN1C[C@@H](C(=O)[O-])CC1=O ZINC001606119443 1018729230 /nfs/dbraw/zinc/72/92/30/1018729230.db2.gz ZZMXADGWSYDCQC-ZJUUUORDSA-N -1 0 304.368 -0.757 20 0 DBADRM CN1CC(N2CCN(C(=O)c3ccoc3CC(=O)[O-])CC2)C1 ZINC001606203665 1018729497 /nfs/dbraw/zinc/72/94/97/1018729497.db2.gz XFRFAOPWNWOHCR-UHFFFAOYSA-N -1 0 307.350 -0.022 20 0 DBADRM CN(CCN(C)c1ncc(C(=O)[O-])cn1)C(=O)Cn1cncn1 ZINC001606126801 1018729853 /nfs/dbraw/zinc/72/98/53/1018729853.db2.gz PGSUXNIBDQSVPV-UHFFFAOYSA-N -1 0 319.325 -0.639 20 0 DBADRM Cc1nnc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1C1CC1 ZINC001606123656 1018730323 /nfs/dbraw/zinc/73/03/23/1018730323.db2.gz WESMAILRZMBBDX-UHFFFAOYSA-N -1 0 315.301 -0.668 20 0 DBADRM CN1C[C@@H](NC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CC1=O ZINC001606202570 1018730513 /nfs/dbraw/zinc/73/05/13/1018730513.db2.gz IFWJQFYAJJZZKG-SDBXPKJASA-N -1 0 310.310 -0.768 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2onc3c2CCCC3)CC1=O ZINC001606204982 1018730528 /nfs/dbraw/zinc/73/05/28/1018730528.db2.gz YRANNGGNFRCBSR-SNVBAGLBSA-N -1 0 307.306 -0.079 20 0 DBADRM CN1C[C@H](NC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CC1=O ZINC001606202569 1018730729 /nfs/dbraw/zinc/73/07/29/1018730729.db2.gz IFWJQFYAJJZZKG-OQPBUACISA-N -1 0 310.310 -0.768 20 0 DBADRM CN(CC1CN(C)C1)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001606202580 1018730853 /nfs/dbraw/zinc/73/08/53/1018730853.db2.gz JARKSQYVGIESBZ-UHFFFAOYSA-N -1 0 301.368 -0.095 20 0 DBADRM Cc1noc([C@@H](C)NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC001606127619 1018730782 /nfs/dbraw/zinc/73/07/82/1018730782.db2.gz AIAYZLPNRQOWGW-RXMQYKEDSA-N -1 0 304.274 -0.973 20 0 DBADRM CN(CCCn1ccnc1)C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001606126034 1018730943 /nfs/dbraw/zinc/73/09/43/1018730943.db2.gz WFWQYUDUGXEBPZ-VIFPVBQESA-N -1 0 300.290 -0.730 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CCC1=O ZINC001606202191 1018731126 /nfs/dbraw/zinc/73/11/26/1018731126.db2.gz FUIKIZSEOMTHRI-LURJTMIESA-N -1 0 302.312 -0.993 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C[C@H](O)COCc2ccccc2)CC1=O ZINC001606201458 1018731557 /nfs/dbraw/zinc/73/15/57/1018731557.db2.gz BQGPFODCEAYWFJ-KBPBESRZSA-N -1 0 322.361 -0.209 20 0 DBADRM CN1C[C@H](OC(=O)[C@@H]2CCCCS2(=O)=O)C[C@@H]1C(=O)[O-] ZINC001606206818 1018733485 /nfs/dbraw/zinc/73/34/85/1018733485.db2.gz ZDNXQUISCUDIIL-BBBLOLIVSA-N -1 0 305.352 -0.346 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001606132950 1018734585 /nfs/dbraw/zinc/73/45/85/1018734585.db2.gz JPRNPLYLNXJAAV-URLYPYJESA-N -1 0 306.322 -0.063 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)[C@@H]1CCC(=O)N1C ZINC001606132770 1018735759 /nfs/dbraw/zinc/73/57/59/1018735759.db2.gz DSFAWZGCEDPMQY-VIFPVBQESA-N -1 0 321.337 -0.912 20 0 DBADRM CN(CCNC(=O)[C@H]1CCNC(=O)C1)c1ccnc(C(=O)[O-])n1 ZINC001606131422 1018735818 /nfs/dbraw/zinc/73/58/18/1018735818.db2.gz ZFZPYXHJZVBSSZ-VIFPVBQESA-N -1 0 321.337 -0.747 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@H](O)C2CCC2)c(-c2nnn[n-]2)c1=O ZINC001606205682 1018736172 /nfs/dbraw/zinc/73/61/72/1018736172.db2.gz HWWPZOREQRBPHT-ZETCQYMHSA-N -1 0 307.314 -0.761 20 0 DBADRM O=C([O-])CCCC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC001606137779 1018736207 /nfs/dbraw/zinc/73/62/07/1018736207.db2.gz LWVYAZHVQIIXNM-UHFFFAOYSA-N -1 0 321.381 -0.030 20 0 DBADRM CN(CCN1CCOCC1)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001606131338 1018737286 /nfs/dbraw/zinc/73/72/86/1018737286.db2.gz VZRDQBRELOZFFU-UHFFFAOYSA-N -1 0 311.342 -0.086 20 0 DBADRM Cn1c(=O)[nH]c(N2C[C@@H]3CC=CC[C@@H]3C2)c(-c2nnn[n-]2)c1=O ZINC001606206056 1018737451 /nfs/dbraw/zinc/73/74/51/1018737451.db2.gz PCYOXDCVLDLLJZ-DTORHVGOSA-N -1 0 315.337 -0.344 20 0 DBADRM CN1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606209192 1018738403 /nfs/dbraw/zinc/73/84/03/1018738403.db2.gz QRDPDGGLHPWLGS-OCAPTIKFSA-N -1 0 300.340 -0.425 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])C1=O ZINC001606211853 1018739303 /nfs/dbraw/zinc/73/93/03/1018739303.db2.gz DBWQBBYUINIKMF-DTWKUNHWSA-N -1 0 300.311 -0.813 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])C1=O ZINC001606211854 1018739931 /nfs/dbraw/zinc/73/99/31/1018739931.db2.gz DBWQBBYUINIKMF-IUCAKERBSA-N -1 0 300.311 -0.813 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001606138985 1018739986 /nfs/dbraw/zinc/73/99/86/1018739986.db2.gz SYSHZDCGXFOFEM-NSCUHMNNSA-N -1 0 302.308 -0.262 20 0 DBADRM CN(CCc1ncon1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001606141602 1018740324 /nfs/dbraw/zinc/74/03/24/1018740324.db2.gz QYSLAYGYDPHDTM-UHFFFAOYSA-N -1 0 300.296 -0.041 20 0 DBADRM O=C([O-])CCCCCNC(=O)Cn1ncn2nccc2c1=O ZINC001606147450 1018741255 /nfs/dbraw/zinc/74/12/55/1018741255.db2.gz BBALWXWAPITISA-UHFFFAOYSA-N -1 0 307.310 -0.348 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001606138984 1018742578 /nfs/dbraw/zinc/74/25/78/1018742578.db2.gz SYSHZDCGXFOFEM-IHWYPQMZSA-N -1 0 302.308 -0.262 20 0 DBADRM CN1CC[C@@H](C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)CC1=O ZINC001606212226 1018743222 /nfs/dbraw/zinc/74/32/22/1018743222.db2.gz LMKGLOULFJVSAP-ZJUUUORDSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1CC[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCC2)CC1=O ZINC001606219120 1018744048 /nfs/dbraw/zinc/74/40/48/1018744048.db2.gz IJGPWMQFOXZRCL-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1=O ZINC001606222001 1018744372 /nfs/dbraw/zinc/74/43/72/1018744372.db2.gz WCMBZFOGINMYQA-YWVKMMECSA-N -1 0 318.337 -0.315 20 0 DBADRM CN(Cc1cn(C)nn1)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001606172622 1018744851 /nfs/dbraw/zinc/74/48/51/1018744851.db2.gz NDBWIIAACCNPQJ-UHFFFAOYSA-N -1 0 311.323 -0.271 20 0 DBADRM CN(Cc1cn(CC(N)=O)nn1)[C@H](COC1CCC1)C(=O)[O-] ZINC001606172384 1018746112 /nfs/dbraw/zinc/74/61/12/1018746112.db2.gz FYIALOPEGQOERI-LLVKDONJSA-N -1 0 311.342 -0.783 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCC(F)(F)F)n(C)c1=O ZINC001606218408 1018747236 /nfs/dbraw/zinc/74/72/36/1018747236.db2.gz MPVNUZWWZUUPEH-UHFFFAOYSA-N -1 0 305.220 -0.762 20 0 DBADRM O=C([O-])CN(C(=O)Cc1nc2ncccn2n1)C1CCOCC1 ZINC001606219879 1018747297 /nfs/dbraw/zinc/74/72/97/1018747297.db2.gz AYNJZVJXPIZDEZ-UHFFFAOYSA-N -1 0 319.321 -0.241 20 0 DBADRM CN1CCC[C@@H](NS(=O)(=O)c2occc2C(=O)[O-])C1=O ZINC001606226713 1018751057 /nfs/dbraw/zinc/75/10/57/1018751057.db2.gz KFBDSPGEZNWTPC-MRVPVSSYSA-N -1 0 302.308 -0.123 20 0 DBADRM CN1CCC[C@H](C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001606223631 1018751250 /nfs/dbraw/zinc/75/12/50/1018751250.db2.gz RJCVTJBFRUGSAB-ZJUUUORDSA-N -1 0 321.337 -0.382 20 0 DBADRM CN1CCC[C@@H](C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001606223528 1018752909 /nfs/dbraw/zinc/75/29/09/1018752909.db2.gz RJCVTJBFRUGSAB-NXEZZACHSA-N -1 0 321.337 -0.382 20 0 DBADRM CN1CCC[C@@H](C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)C1=O ZINC001606222958 1018755423 /nfs/dbraw/zinc/75/54/23/1018755423.db2.gz LCFBBUYTNZZKPN-NXEZZACHSA-N -1 0 312.322 -0.526 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)C1=O ZINC001606231013 1018759889 /nfs/dbraw/zinc/75/98/89/1018759889.db2.gz BEMXKSOSPVAQPY-WCBMZHEXSA-N -1 0 322.321 -0.637 20 0 DBADRM O=C([O-])CN1CC[C@@H](N(CCCO)Cc2ccccn2)C1=O ZINC001606231661 1018761427 /nfs/dbraw/zinc/76/14/27/1018761427.db2.gz LBLUEEJAAKEWAY-CYBMUJFWSA-N -1 0 307.350 -0.049 20 0 DBADRM CN1CCN(C(=O)CNC(=O)CCc2ocnc2C(=O)[O-])CC1 ZINC001606233526 1018767236 /nfs/dbraw/zinc/76/72/36/1018767236.db2.gz SSZSNAPSNMVALJ-UHFFFAOYSA-N -1 0 324.337 -0.804 20 0 DBADRM CN1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)[C@H](CO)C1 ZINC001606239175 1018768858 /nfs/dbraw/zinc/76/88/58/1018768858.db2.gz KAVQHTHMUSWBHO-JTQLQIEISA-N -1 0 308.338 -0.673 20 0 DBADRM CN1CCN(C)[C@H](CNS(=O)(=O)CCCCCC(=O)[O-])C1 ZINC001606237229 1018772918 /nfs/dbraw/zinc/77/29/18/1018772918.db2.gz AOCYHFBUQUSFLN-GFCCVEGCSA-N -1 0 321.443 -0.203 20 0 DBADRM Cn1cc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)c(C(F)F)n1 ZINC001606243285 1018774645 /nfs/dbraw/zinc/77/46/45/1018774645.db2.gz WCCZFBPOMSHDQP-UHFFFAOYSA-N -1 0 324.251 -0.152 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1=O ZINC001606247761 1018775535 /nfs/dbraw/zinc/77/55/35/1018775535.db2.gz JEZFIYZCZZLUHM-QWRGUYRKSA-N -1 0 324.333 -0.384 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@@H]3OCC[C@@H]3C2)C1=O ZINC001606248758 1018775608 /nfs/dbraw/zinc/77/56/08/1018775608.db2.gz BPCNOICQKGXNRH-WOPDTQHZSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@@H](c3ncon3)C2)C1=O ZINC001606247358 1018776432 /nfs/dbraw/zinc/77/64/32/1018776432.db2.gz FXOJTJOKJGJOAX-ZJUUUORDSA-N -1 0 322.321 -0.291 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)CCn2ccccc2=O)C1=O ZINC001606247820 1018777394 /nfs/dbraw/zinc/77/73/94/1018777394.db2.gz KQZKCTCZIPFFGN-SNVBAGLBSA-N -1 0 308.290 -0.533 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@@H]2COCCN2C)cc1C(=O)[O-] ZINC001606250206 1018778690 /nfs/dbraw/zinc/77/86/90/1018778690.db2.gz NXROYJQYWFCPEL-SNVBAGLBSA-N -1 0 324.337 -0.891 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCCn3nccc32)C1=O ZINC001606250821 1018780151 /nfs/dbraw/zinc/78/01/51/1018780151.db2.gz LUQHATYFVHBFPT-SNVBAGLBSA-N -1 0 306.322 -0.057 20 0 DBADRM CN1CCO[C@H](C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1=O ZINC001606251199 1018781108 /nfs/dbraw/zinc/78/11/08/1018781108.db2.gz VBOISCCBXTVRCE-JRPNMDOOSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)c2cnn(CCO)c2)C1=O ZINC001606255159 1018782589 /nfs/dbraw/zinc/78/25/89/1018782589.db2.gz GHAQPJAUKKLOHY-LLVKDONJSA-N -1 0 324.337 -0.929 20 0 DBADRM Cn1ccnc1CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001606256265 1018782685 /nfs/dbraw/zinc/78/26/85/1018782685.db2.gz JPXXPYXKBJGFJJ-UHFFFAOYSA-N -1 0 303.286 -0.988 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)N[C@@H]2CCCOC2)C1=O ZINC001606255239 1018782867 /nfs/dbraw/zinc/78/28/67/1018782867.db2.gz IHRHLTWXWNMXDM-GHMZBOCLSA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NCc2cnccn2)C1=O ZINC001606255395 1018783033 /nfs/dbraw/zinc/78/30/33/1018783033.db2.gz MIASIQSJQCYRES-LLVKDONJSA-N -1 0 321.337 -0.259 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001606260378 1018785196 /nfs/dbraw/zinc/78/51/96/1018785196.db2.gz WXORGHPXDFXBJG-ZCFIWIBFSA-N -1 0 304.299 -0.063 20 0 DBADRM CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001606259959 1018785433 /nfs/dbraw/zinc/78/54/33/1018785433.db2.gz RGWXAPGDQGIFOH-MRVPVSSYSA-N -1 0 317.367 -0.274 20 0 DBADRM CNC(=O)[C@@H](O)CNS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001606261149 1018785640 /nfs/dbraw/zinc/78/56/40/1018785640.db2.gz DGFWJYZDJVWUHY-VIFPVBQESA-N -1 0 322.383 -0.952 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])nn2C)CCO1 ZINC001606265832 1018789723 /nfs/dbraw/zinc/78/97/23/1018789723.db2.gz CRSHNBHEXHGLBZ-MRVPVSSYSA-N -1 0 311.298 -0.903 20 0 DBADRM CNC(=O)CCCCC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001606268992 1018789782 /nfs/dbraw/zinc/78/97/82/1018789782.db2.gz BMIHRWZDKZAMJF-CYBMUJFWSA-N -1 0 300.355 -0.023 20 0 DBADRM CNC(=O)CCCN(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606268962 1018790501 /nfs/dbraw/zinc/79/05/01/1018790501.db2.gz AVXNHONPOVJCRB-SNVBAGLBSA-N -1 0 313.354 -0.706 20 0 DBADRM CNC(=O)CCNC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001606267108 1018792342 /nfs/dbraw/zinc/79/23/42/1018792342.db2.gz NYTRBWGFWKMUQQ-XIRUVYRFSA-N -1 0 313.354 -0.166 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC2(F)F)c1[O-] ZINC001501489476 1018793374 /nfs/dbraw/zinc/79/33/74/1018793374.db2.gz OGHPYLCKJGCFFB-RNFRBKRXSA-N -1 0 318.280 -0.714 20 0 DBADRM O=C([O-])COCC(=O)N[C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC001606273326 1018794042 /nfs/dbraw/zinc/79/40/42/1018794042.db2.gz BDMGIZCMMASNAF-MFKMUULPSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001606279248 1018799265 /nfs/dbraw/zinc/79/92/65/1018799265.db2.gz DQBHBPCWMSINTJ-VXGBXAGGSA-N -1 0 315.370 -0.672 20 0 DBADRM CNC(=O)N[C@@H]1CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1 ZINC001606277587 1018799329 /nfs/dbraw/zinc/79/93/29/1018799329.db2.gz ACVNWJAWTWOCHO-KOLCDFICSA-N -1 0 300.359 -0.785 20 0 DBADRM CNC(=O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(C)C ZINC001606279613 1018800685 /nfs/dbraw/zinc/80/06/85/1018800685.db2.gz JXIQMZHSCKLGHC-QMMMGPOBSA-N -1 0 304.328 -0.843 20 0 DBADRM CNC(=O)N[C@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001606282052 1018801277 /nfs/dbraw/zinc/80/12/77/1018801277.db2.gz WCLOGUWGITUWBI-VIFPVBQESA-N -1 0 319.383 -0.426 20 0 DBADRM CNC(=O)NCC(=O)N[C@H](C)CN(C)c1ccnc(C(=O)[O-])n1 ZINC001606282424 1018801745 /nfs/dbraw/zinc/80/17/45/1018801745.db2.gz ZGUWXDSDKYIFJG-MRVPVSSYSA-N -1 0 324.341 -0.955 20 0 DBADRM CNC(=O)NCC(=O)N[C@H](C)CCNc1ncc(C(=O)[O-])cn1 ZINC001606282045 1018801916 /nfs/dbraw/zinc/80/19/16/1018801916.db2.gz VYLWBCXRMIZYJH-MRVPVSSYSA-N -1 0 324.341 -0.590 20 0 DBADRM CNC(=O)NCCC(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001606280333 1018802269 /nfs/dbraw/zinc/80/22/69/1018802269.db2.gz BUIIRKOOYFFBHM-UHFFFAOYSA-N -1 0 301.343 -0.307 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001606283037 1018802480 /nfs/dbraw/zinc/80/24/80/1018802480.db2.gz JEVGZIDWVIFXFX-UHFFFAOYSA-N -1 0 321.326 -0.668 20 0 DBADRM CNC(=O)NC[C@@H]1CN(c2cc(CC(=O)[O-])ccn2)CCO1 ZINC001606281996 1018802558 /nfs/dbraw/zinc/80/25/58/1018802558.db2.gz UQISEXRSZUKJIS-LLVKDONJSA-N -1 0 308.338 -0.157 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1ccc2nc[nH]c2n1 ZINC001606284945 1018803606 /nfs/dbraw/zinc/80/36/06/1018803606.db2.gz SYLPCBFHPWPWNE-UHFFFAOYSA-N -1 0 308.294 -0.195 20 0 DBADRM CNC(=O)[C@H](CCSC)NC(=O)c1cc(C(=O)[O-])on1 ZINC001606283930 1018804102 /nfs/dbraw/zinc/80/41/02/1018804102.db2.gz PJNUOIXVKFOPKV-LURJTMIESA-N -1 0 301.324 -0.030 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN[C@@H]1CN(c2ccccc2)C1=O ZINC001606296564 1018804632 /nfs/dbraw/zinc/80/46/32/1018804632.db2.gz IYDFHBRPWJJCHK-LLVKDONJSA-N -1 0 312.347 -0.509 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC[C@H]1C(=O)NC1CC1 ZINC001606291532 1018805046 /nfs/dbraw/zinc/80/50/46/1018805046.db2.gz ODTDXPRXWGDZNH-JTQLQIEISA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCN(c2ncc[nH]2)CC1 ZINC001606296316 1018805065 /nfs/dbraw/zinc/80/50/65/1018805065.db2.gz BPEBYZPOCMWBPU-UHFFFAOYSA-N -1 0 302.356 -0.969 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(Cc2cc(C(=O)[O-])no2)C1 ZINC001606298886 1018806517 /nfs/dbraw/zinc/80/65/17/1018806517.db2.gz KTJCIDXNXNFOIL-VIFPVBQESA-N -1 0 303.340 -0.114 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001606301938 1018806618 /nfs/dbraw/zinc/80/66/18/1018806618.db2.gz VXHMNAGSOMEYJB-RXMQYKEDSA-N -1 0 322.368 -0.928 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001606301866 1018807018 /nfs/dbraw/zinc/80/70/18/1018807018.db2.gz RRPJSMQOWFCPAS-SKDRFNHKSA-N -1 0 319.383 -0.426 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001606302435 1018807158 /nfs/dbraw/zinc/80/71/58/1018807158.db2.gz HTNYLBWEBRXKCX-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H](CCF)C(=O)[O-])co1 ZINC001606303528 1018807577 /nfs/dbraw/zinc/80/75/77/1018807577.db2.gz IDLCFMVFISVDSU-ZETCQYMHSA-N -1 0 308.287 -0.270 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CC(C)(C(=O)[O-])C2)cn1 ZINC001606304480 1018807660 /nfs/dbraw/zinc/80/76/60/1018807660.db2.gz KXPSXSXPTMKQFW-UHFFFAOYSA-N -1 0 313.335 -0.464 20 0 DBADRM CNS(=O)(=O)c1ccc(NC(=O)NC[C@H](F)C(=O)[O-])nc1 ZINC001606306469 1018807671 /nfs/dbraw/zinc/80/76/71/1018807671.db2.gz MVAPYPAMTKQKMM-ZETCQYMHSA-N -1 0 320.302 -0.466 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@H](C)/C=C\C(=O)[O-])co1 ZINC001606303689 1018807832 /nfs/dbraw/zinc/80/78/32/1018807832.db2.gz RZUFPPQNUUTNQT-KFOINNEUSA-N -1 0 302.308 -0.053 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)c1ccnc(C(=O)[O-])c1 ZINC001606303244 1018807929 /nfs/dbraw/zinc/80/79/29/1018807929.db2.gz XZMGAESJZZRMOA-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001606303231 1018808433 /nfs/dbraw/zinc/80/84/33/1018808433.db2.gz XIIYIWJDYBJZHO-MGCOHNPYSA-N -1 0 306.384 -0.067 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001606303749 1018808501 /nfs/dbraw/zinc/80/85/01/1018808501.db2.gz VIDKCSFLPCXVAL-UHFFFAOYSA-N -1 0 315.351 -0.006 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001606302826 1018808573 /nfs/dbraw/zinc/80/85/73/1018808573.db2.gz NURQWPLLLVWSMW-XEVUQIKYSA-N -1 0 320.367 -0.936 20 0 DBADRM CNc1nc(C)cc(C(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001606314678 1018808691 /nfs/dbraw/zinc/80/86/91/1018808691.db2.gz WWZVKWIBNSUOBW-UHFFFAOYSA-N -1 0 305.298 -0.454 20 0 DBADRM CNS(=O)(=O)Nc1ccc(NC(=O)COCC(=O)[O-])cc1 ZINC001606303595 1018808724 /nfs/dbraw/zinc/80/87/24/1018808724.db2.gz LWUCOFQFIRHFON-UHFFFAOYSA-N -1 0 317.323 -0.398 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001606315511 1018809168 /nfs/dbraw/zinc/80/91/68/1018809168.db2.gz GESKEZYEBSLUPA-RKDXNWHRSA-N -1 0 323.367 -0.575 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001606321161 1018809395 /nfs/dbraw/zinc/80/93/95/1018809395.db2.gz BVUIXZPYMZPIBK-SNVBAGLBSA-N -1 0 322.383 -0.782 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001606321535 1018809474 /nfs/dbraw/zinc/80/94/74/1018809474.db2.gz MMVGJUKUYOPLIY-UTLUCORTSA-N -1 0 323.367 -0.548 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001606315788 1018809541 /nfs/dbraw/zinc/80/95/41/1018809541.db2.gz LEPAOMODYBWTOZ-IUCAKERBSA-N -1 0 323.367 -0.717 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001606315509 1018809955 /nfs/dbraw/zinc/80/99/55/1018809955.db2.gz GESKEZYEBSLUPA-DTWKUNHWSA-N -1 0 323.367 -0.575 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001606321267 1018809716 /nfs/dbraw/zinc/80/97/16/1018809716.db2.gz FIEZVMNTVNWLGI-GMSGAONNSA-N -1 0 311.381 -0.325 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CCc1nc(N(C)C)no1 ZINC001606324042 1018810197 /nfs/dbraw/zinc/81/01/97/1018810197.db2.gz PULADRCUXUYWQJ-ZETCQYMHSA-N -1 0 314.298 -0.799 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)COc1ccc(C(N)=O)cc1 ZINC001606323128 1018810213 /nfs/dbraw/zinc/81/02/13/1018810213.db2.gz GNJBZBKKRBEWIQ-JTQLQIEISA-N -1 0 324.289 -0.703 20 0 DBADRM O=C([O-])Cn1cc(C(=O)Nc2ccc3c(c2)C(=O)NC3)nn1 ZINC001606330635 1018810989 /nfs/dbraw/zinc/81/09/89/1018810989.db2.gz KOSBGVMCTUMVHE-UHFFFAOYSA-N -1 0 301.262 -0.142 20 0 DBADRM COC(=O)[C@H](CF)NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001606331098 1018811021 /nfs/dbraw/zinc/81/10/21/1018811021.db2.gz FGVWXJGQGCXTQM-QMMMGPOBSA-N -1 0 306.271 -0.431 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1CCC(O)(C(=O)OC)CC1 ZINC001606329336 1018811115 /nfs/dbraw/zinc/81/11/15/1018811115.db2.gz AUPXBAIIXMBGOY-SECBINFHSA-N -1 0 303.311 -0.607 20 0 DBADRM COC(=O)[C@H](C[C@H]1CCCO1)N[C@@H](C)C(=O)NCC(=O)[O-] ZINC001606329803 1018811210 /nfs/dbraw/zinc/81/12/10/1018811210.db2.gz FHXUKKXNJAJEQW-AEJSXWLSSA-N -1 0 302.327 -0.724 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1c(C)n[nH]c1C ZINC001606324290 1018811734 /nfs/dbraw/zinc/81/17/34/1018811734.db2.gz BDKXFOMRBXMODF-ZETCQYMHSA-N -1 0 305.312 -0.679 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1CCC2(COC(=O)N2)CC1 ZINC001606333624 1018812584 /nfs/dbraw/zinc/81/25/84/1018812584.db2.gz UTESBWHRFRETPJ-SECBINFHSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)C2(n3cnnn3)CCOCC2)cn1 ZINC001606338999 1018812894 /nfs/dbraw/zinc/81/28/94/1018812894.db2.gz GXTVAXJAUNWKKX-UHFFFAOYSA-N -1 0 321.297 -0.901 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCC(OCCO)CC2)c1=O ZINC001606350824 1018814220 /nfs/dbraw/zinc/81/42/20/1018814220.db2.gz WYIWTAXCOARDLX-UHFFFAOYSA-N -1 0 324.333 -0.454 20 0 DBADRM COC(=O)C1(NC(=O)CCCC(N)=O)CCC(C(=O)[O-])CC1 ZINC001606352648 1018814442 /nfs/dbraw/zinc/81/44/42/1018814442.db2.gz DVKGVDIBIMGLDB-UHFFFAOYSA-N -1 0 314.338 -0.055 20 0 DBADRM COC(=O)C1(C(=O)COC(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC001606347197 1018814720 /nfs/dbraw/zinc/81/47/20/1018814720.db2.gz YTEVGMRJBULVDM-UHFFFAOYSA-N -1 0 311.250 -0.958 20 0 DBADRM COC(=O)[C@@]1(F)CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001606351941 1018814768 /nfs/dbraw/zinc/81/47/68/1018814768.db2.gz NDTRSKZKSRTVEI-SNVBAGLBSA-N -1 0 309.315 -0.090 20 0 DBADRM COC(=O)C1(NC(=O)CCCC(=O)NC2(C(=O)[O-])CC2)CC1 ZINC001606352662 1018814887 /nfs/dbraw/zinc/81/48/87/1018814887.db2.gz FGPNGOWRILJXDV-UHFFFAOYSA-N -1 0 312.322 -0.288 20 0 DBADRM COC(=O)C1(C(=O)COC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC001606346922 1018814979 /nfs/dbraw/zinc/81/49/79/1018814979.db2.gz PRJAZDBITYKVDU-JGVFFNPUSA-N -1 0 300.263 -0.316 20 0 DBADRM COC(=O)C1(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC001606346781 1018815034 /nfs/dbraw/zinc/81/50/34/1018815034.db2.gz LUCUCZXLKPGBSA-VIFPVBQESA-N -1 0 314.338 -0.329 20 0 DBADRM COC(=O)C1(NC(=O)[C@@H]2C[NH2+]CCO2)CCC(C(=O)[O-])CC1 ZINC001606352373 1018815108 /nfs/dbraw/zinc/81/51/08/1018815108.db2.gz IFMBPBMHMFSDRU-XIRUVYRFSA-N -1 0 314.338 -0.722 20 0 DBADRM COC(=O)[C@@]1(OC)CCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001606356744 1018815615 /nfs/dbraw/zinc/81/56/15/1018815615.db2.gz JQKDEFWWHBCGPF-CYBMUJFWSA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)[C@@H]1CC(=O)N(CN2CCSC[C@@H](C(=O)[O-])C2)C1 ZINC001606374437 1018817497 /nfs/dbraw/zinc/81/74/97/1018817497.db2.gz ZDDZZBPLDUBSIO-ZJUUUORDSA-N -1 0 316.379 -0.285 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCc1cn[nH]n1 ZINC001606371734 1018817617 /nfs/dbraw/zinc/81/76/17/1018817617.db2.gz UMLHQXJFCJBZJE-PSASIEDQSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1ccc(C(=O)[O-])n1C ZINC001606370566 1018817632 /nfs/dbraw/zinc/81/76/32/1018817632.db2.gz KTWAFKFQTDPQPG-WDEREUQCSA-N -1 0 310.306 -0.138 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(=O)[nH]cn1 ZINC001606370657 1018817641 /nfs/dbraw/zinc/81/76/41/1018817641.db2.gz OHQWSZOMBCDZEJ-VXNVDRBHSA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)C[C@H]1CCNC1=O ZINC001606370997 1018817665 /nfs/dbraw/zinc/81/76/65/1018817665.db2.gz QQJZJTKAWRVEGT-UTLUCORTSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCc1cn[nH]n1 ZINC001606371744 1018817686 /nfs/dbraw/zinc/81/76/86/1018817686.db2.gz UMLHQXJFCJBZJE-WPRPVWTQSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN1CCOC1=O ZINC001606369549 1018817879 /nfs/dbraw/zinc/81/78/79/1018817879.db2.gz DWQIELCRNAOMAH-RKDXNWHRSA-N -1 0 314.294 -0.697 20 0 DBADRM COC(=O)[C@H]1[C@@H](O)CCCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001606374323 1018818074 /nfs/dbraw/zinc/81/80/74/1018818074.db2.gz ZAXZEMPNYXKATQ-DTWKUNHWSA-N -1 0 323.367 -0.575 20 0 DBADRM COC(=O)[C@H]1C[C@@H](OC(=O)Cn2cc(C(=O)[O-])cn2)CN1C ZINC001606378740 1018818906 /nfs/dbraw/zinc/81/89/06/1018818906.db2.gz VMDUYEGCAPMEDU-NXEZZACHSA-N -1 0 311.294 -0.630 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(=O)n1C ZINC001606384212 1018819084 /nfs/dbraw/zinc/81/90/84/1018819084.db2.gz CDCPIRGWHQGRDR-ONGXEEELSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC001606375707 1018819208 /nfs/dbraw/zinc/81/92/08/1018819208.db2.gz DDEXSBXIRQEPKT-RKDXNWHRSA-N -1 0 309.340 -0.963 20 0 DBADRM COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001606378199 1018819305 /nfs/dbraw/zinc/81/93/05/1018819305.db2.gz OZBVCFFPBGZYLY-ZRUFSTJUSA-N -1 0 315.322 -0.202 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001606378198 1018819835 /nfs/dbraw/zinc/81/98/35/1018819835.db2.gz OZBVCFFPBGZYLY-XWLWVQCSSA-N -1 0 315.322 -0.202 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@]2(F)CCOC2)C1 ZINC001606390353 1018820678 /nfs/dbraw/zinc/82/06/78/1018820678.db2.gz RENSXPNBYYLIQG-KKFJDGPESA-N -1 0 303.286 -0.020 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1nnc2n1CCOC2 ZINC001606391455 1018820862 /nfs/dbraw/zinc/82/08/62/1018820862.db2.gz WWKIBTYXYYYAIR-UWVGGRQHSA-N -1 0 324.337 -0.354 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@]2(F)CCOC2)C1 ZINC001606390351 1018821120 /nfs/dbraw/zinc/82/11/20/1018821120.db2.gz RENSXPNBYYLIQG-JRKPZEMJSA-N -1 0 303.286 -0.020 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cnncc1O ZINC001606385999 1018821140 /nfs/dbraw/zinc/82/11/40/1018821140.db2.gz MGPPESDLYXUOAO-APPZFPTMSA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001606388349 1018821202 /nfs/dbraw/zinc/82/12/02/1018821202.db2.gz MSNOYBFMDUIMQH-BBBLOLIVSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(CO)on2)C1 ZINC001606393932 1018822381 /nfs/dbraw/zinc/82/23/81/1018822381.db2.gz WOTCXJDFDSTAPC-XVKPBYJWSA-N -1 0 312.278 -0.355 20 0 DBADRM COC(=O)C1CCC(NC(=O)[C@@H](O)C(C)(C)O)(C(=O)[O-])CC1 ZINC001606396804 1018822713 /nfs/dbraw/zinc/82/27/13/1018822713.db2.gz RPZNCTQYZHJFRA-ZYTOWTHASA-N -1 0 317.338 -0.579 20 0 DBADRM COC(=O)C1CCC(NC(=O)[C@H](C)NC(C)=O)(C(=O)[O-])CC1 ZINC001606397392 1018822732 /nfs/dbraw/zinc/82/27/32/1018822732.db2.gz VVKGKAMOJPAKGC-BQDOLQKVSA-N -1 0 314.338 -0.186 20 0 DBADRM COC(=O)C1CCC(NC(=O)[C@H]2COC(=O)N2)(C(=O)[O-])CC1 ZINC001606396646 1018822924 /nfs/dbraw/zinc/82/29/24/1018822924.db2.gz KPHLBIRCLXTFBD-LPATWVRLSA-N -1 0 314.294 -0.602 20 0 DBADRM COC(=O)C1CCC(NC(=O)N2CC(O)(C(=O)[O-])C2)CC1 ZINC001606396663 1018823125 /nfs/dbraw/zinc/82/31/25/1018823125.db2.gz MAMRUVYYXIDPPA-UHFFFAOYSA-N -1 0 300.311 -0.441 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(Cc2nnc3n2CCOC3)C1 ZINC001606394455 1018823476 /nfs/dbraw/zinc/82/34/76/1018823476.db2.gz NFILAZACPOSYAD-VHSXEESVSA-N -1 0 324.337 -0.354 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1 ZINC001606402921 1018823979 /nfs/dbraw/zinc/82/39/79/1018823979.db2.gz HZBKPFRZOBQTAE-VHSXEESVSA-N -1 0 312.322 -0.669 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCN(CCn2cncn2)CC1 ZINC001606399936 1018824034 /nfs/dbraw/zinc/82/40/34/1018824034.db2.gz CMLWNMTZHBUOPO-VXGBXAGGSA-N -1 0 307.354 -0.467 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H](C)n2cncn2)[C@@H](C(=O)[O-])C1 ZINC001606403459 1018824238 /nfs/dbraw/zinc/82/42/38/1018824238.db2.gz IJWLVVCTLIGBIY-IVZWLZJFSA-N -1 0 310.310 -0.296 20 0 DBADRM COC(=O)C1CCN(C(=O)Cn2c(=O)cccc2C(=O)[O-])CC1 ZINC001606403390 1018824575 /nfs/dbraw/zinc/82/45/75/1018824575.db2.gz MJEMNWKCNLUYDZ-UHFFFAOYSA-N -1 0 322.317 -0.042 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N2CC[C@H](C(=O)[O-])C2)C1=O ZINC001606402862 1018824708 /nfs/dbraw/zinc/82/47/08/1018824708.db2.gz CAHIZJVKAYNRID-UWVGGRQHSA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)C1CCN(C(=O)Cn2cnc(C(=O)[O-])cc2=O)CC1 ZINC001606403752 1018824766 /nfs/dbraw/zinc/82/47/66/1018824766.db2.gz PGBPKSRBQKHUFE-UHFFFAOYSA-N -1 0 323.305 -0.647 20 0 DBADRM NC(=O)[C@@H](Cc1ccccc1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001606401912 1018824865 /nfs/dbraw/zinc/82/48/65/1018824865.db2.gz GJEUGMKLRRWMMK-SNVBAGLBSA-N -1 0 310.321 -0.413 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)[C@@H](C(=O)[O-])C1 ZINC001606409141 1018825568 /nfs/dbraw/zinc/82/55/68/1018825568.db2.gz YQBZUHJEWSPXMR-PSASIEDQSA-N -1 0 323.305 -0.741 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)[C@H](C(=O)[O-])C1 ZINC001606409146 1018825998 /nfs/dbraw/zinc/82/59/98/1018825998.db2.gz YQBZUHJEWSPXMR-WPRPVWTQSA-N -1 0 323.305 -0.741 20 0 DBADRM COC(=O)[C@@H]1CCN(Cc2nnnn2C2CC2)[C@H](C(=O)[O-])C1 ZINC001606414513 1018827647 /nfs/dbraw/zinc/82/76/47/1018827647.db2.gz SVGXJCDKZWLTGY-SCZZXKLOSA-N -1 0 309.326 -0.154 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C2CCN(OC)CC2)C[C@@H]1C(=O)[O-] ZINC001606415893 1018829691 /nfs/dbraw/zinc/82/96/91/1018829691.db2.gz JTJWMLSOTQNKHW-QWRGUYRKSA-N -1 0 314.338 -0.408 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H](NC(C)=O)C(C)C)C[C@H]1C(=O)[O-] ZINC001606417573 1018830027 /nfs/dbraw/zinc/83/00/27/1018830027.db2.gz QTTQQAAETYSESU-GMTAPVOTSA-N -1 0 314.338 -0.521 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C2CCN(OC)CC2)C[C@H]1C(=O)[O-] ZINC001606415892 1018830341 /nfs/dbraw/zinc/83/03/41/1018830341.db2.gz JTJWMLSOTQNKHW-MNOVXSKESA-N -1 0 314.338 -0.408 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1C(=O)[O-] ZINC001606416362 1018830525 /nfs/dbraw/zinc/83/05/25/1018830525.db2.gz MNPCNPWOKNEYLT-BBBLOLIVSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)/C(C)=C/C(=O)N1CC[C@@H]1C(=O)[O-] ZINC001606415918 1018830566 /nfs/dbraw/zinc/83/05/66/1018830566.db2.gz JWLVXMJKFYSZBF-PSFRMBJNSA-N -1 0 310.306 -0.608 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2c(C)c(C)n[nH]c2=O)C[C@H]1C(=O)[O-] ZINC001606420895 1018830860 /nfs/dbraw/zinc/83/08/60/1018830860.db2.gz JQQNLJHWWMMUOQ-BDAKNGLRSA-N -1 0 323.305 -0.255 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cc2cncc(O)c2)C[C@H]1C(=O)[O-] ZINC001606420487 1018830937 /nfs/dbraw/zinc/83/09/37/1018830937.db2.gz VFRAPPVVILFZAE-MNOVXSKESA-N -1 0 308.290 -0.338 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2ncoc2C)C[C@@H]1C(=O)[O-] ZINC001606420348 1018831619 /nfs/dbraw/zinc/83/16/19/1018831619.db2.gz GVJIIDBNBWJOGT-DTWKUNHWSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@H](NC(C)=O)C(C)C)C[C@@H]1C(=O)[O-] ZINC001606423239 1018833141 /nfs/dbraw/zinc/83/31/41/1018833141.db2.gz QTTQQAAETYSESU-GARJFASQSA-N -1 0 314.338 -0.521 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cnc3c[nH]nc3c2)C[C@H]1C(=O)[O-] ZINC001606425947 1018833289 /nfs/dbraw/zinc/83/32/89/1018833289.db2.gz OTJQLOQAAHDMLZ-BDAKNGLRSA-N -1 0 318.289 -0.096 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1C(=O)[O-] ZINC001606423047 1018833413 /nfs/dbraw/zinc/83/34/13/1018833413.db2.gz PQHMESPAXMPDMA-RQJHMYQMSA-N -1 0 310.262 -0.676 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NOC[C@@H]2CCOC2)C[C@@H]1C(=O)[O-] ZINC001606423808 1018833615 /nfs/dbraw/zinc/83/36/15/1018833615.db2.gz SINSPXPBCDSQRL-KXUCPTDWSA-N -1 0 316.310 -0.530 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001606428621 1018834053 /nfs/dbraw/zinc/83/40/53/1018834053.db2.gz FZRVPOZRZNBYKR-NKWVEPMBSA-N -1 0 312.244 -0.530 20 0 DBADRM COC(=O)[C@@H]1CSCCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1 ZINC001606429052 1018835495 /nfs/dbraw/zinc/83/54/95/1018835495.db2.gz LEHGOHKFTPVHNB-IUCAKERBSA-N -1 0 318.351 -0.313 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)CCOC(C)C)C[C@@H]1C(=O)[O-] ZINC001606432430 1018836516 /nfs/dbraw/zinc/83/65/16/1018836516.db2.gz STEUICQGJHTZIC-VHSXEESVSA-N -1 0 323.367 -0.453 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001606430946 1018836750 /nfs/dbraw/zinc/83/67/50/1018836750.db2.gz FUCULBBWJBGWQO-IVZWLZJFSA-N -1 0 321.351 -0.842 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CCO1 ZINC001606432827 1018837029 /nfs/dbraw/zinc/83/70/29/1018837029.db2.gz VCMAHWLJXAGTMY-SECBINFHSA-N -1 0 321.351 -0.555 20 0 DBADRM COC(=O)[C@@H]1CN(c2cc(C)nc3ncnn32)C[C@@H]1C(=O)[O-] ZINC001606433301 1018837135 /nfs/dbraw/zinc/83/71/35/1018837135.db2.gz VWHRGZCVQILWSU-DTWKUNHWSA-N -1 0 305.294 -0.257 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)Nc2cccnn2)C[C@@H]1C(=O)[O-] ZINC001606430823 1018837455 /nfs/dbraw/zinc/83/74/55/1018837455.db2.gz QJCAJSAMGSACHE-DTWKUNHWSA-N -1 0 308.294 -0.779 20 0 DBADRM COC(=O)[C@@H]1CN(Cn2nc3ccccn3c2=O)C[C@@H]1C(=O)[O-] ZINC001606430924 1018837492 /nfs/dbraw/zinc/83/74/92/1018837492.db2.gz FPDZNRQWFVVPGR-VHSXEESVSA-N -1 0 320.305 -0.741 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1nc2ncc(C)cn2n1)C(=O)[O-] ZINC001606441986 1018838845 /nfs/dbraw/zinc/83/88/45/1018838845.db2.gz IOKYNSOCCZEUTP-SSDOTTSWSA-N -1 0 307.266 -0.821 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)OC)C1)C(=O)[O-] ZINC001606440834 1018838899 /nfs/dbraw/zinc/83/88/99/1018838899.db2.gz SOFSUZIQCSEQCD-HRDYMLBCSA-N -1 0 301.295 -0.292 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccccc1N)C(=O)[O-] ZINC001606443070 1018839657 /nfs/dbraw/zinc/83/96/57/1018839657.db2.gz IISQPYHHVIBEMH-MRVPVSSYSA-N -1 0 302.308 -0.437 20 0 DBADRM COC(=O)C[C@@H]1CS(=O)(=O)CCN1CC1(CC(=O)[O-])CC1 ZINC001606447486 1018839867 /nfs/dbraw/zinc/83/98/67/1018839867.db2.gz OYVUFVGQQDEADS-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCO1 ZINC001606446655 1018840336 /nfs/dbraw/zinc/84/03/36/1018840336.db2.gz CDVHCGGUIJSQFX-OPRDCNLKSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)CCO1 ZINC001606447637 1018841938 /nfs/dbraw/zinc/84/19/38/1018841938.db2.gz VUBNJTBQCGVKAJ-JTQLQIEISA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001606452951 1018841993 /nfs/dbraw/zinc/84/19/93/1018841993.db2.gz KLBDOLIVAAWBPM-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)C[C@@H]1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001606447685 1018842002 /nfs/dbraw/zinc/84/20/02/1018842002.db2.gz XAEQZHHQNNRWBI-BBBLOLIVSA-N -1 0 321.351 -0.557 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001606452953 1018842254 /nfs/dbraw/zinc/84/22/54/1018842254.db2.gz KLBDOLIVAAWBPM-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)CCCCNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001606452699 1018842271 /nfs/dbraw/zinc/84/22/71/1018842271.db2.gz CDROOLFUKXSXHN-UWVGGRQHSA-N -1 0 302.327 -0.193 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)c1ccc(C(=O)[O-])nc1 ZINC001606454563 1018842436 /nfs/dbraw/zinc/84/24/36/1018842436.db2.gz AOXNTHLEPVAVTN-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])CCO1 ZINC001606447746 1018842584 /nfs/dbraw/zinc/84/25/84/1018842584.db2.gz YIDQQLIPLQYBIF-GUBZILKMSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CCCn2ncnc21)C(=O)[O-] ZINC001606458553 1018843030 /nfs/dbraw/zinc/84/30/30/1018843030.db2.gz ORUKEVYCDRNAMA-RKDXNWHRSA-N -1 0 310.310 -0.322 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1CC[C@H]1CCOC1)C2 ZINC001606459184 1018843465 /nfs/dbraw/zinc/84/34/65/1018843465.db2.gz ZNCOXUFXUMRMQH-MISXGVKJSA-N -1 0 323.353 -0.363 20 0 DBADRM O=C([O-])c1cc(-n2cc(CN3CCS(=O)CC3)nn2)ccn1 ZINC001606460729 1018843534 /nfs/dbraw/zinc/84/35/34/1018843534.db2.gz VGQOWLXDYFOQCB-UHFFFAOYSA-N -1 0 321.362 -0.075 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)/C=C/c1ccc(C(N)=O)o1 ZINC001606464482 1018843578 /nfs/dbraw/zinc/84/35/78/1018843578.db2.gz BICSHXWKZBSZKF-HWKANZROSA-N -1 0 310.262 -0.522 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC001606458449 1018843747 /nfs/dbraw/zinc/84/37/47/1018843747.db2.gz MDQVTOCJUGTOEC-MRVPVSSYSA-N -1 0 309.340 -0.666 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1CC1CCOCC1)C2 ZINC001606459015 1018843796 /nfs/dbraw/zinc/84/37/96/1018843796.db2.gz QENHODQFEGORLD-BXUZGUMPSA-N -1 0 323.353 -0.363 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)C(=O)[O-] ZINC001606458780 1018843989 /nfs/dbraw/zinc/84/39/89/1018843989.db2.gz RWGJQNOCFLTIST-OPRDCNLKSA-N -1 0 314.338 -0.199 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)/C=C\CN1CCOCC1)C(=O)[O-] ZINC001606458564 1018844279 /nfs/dbraw/zinc/84/42/79/1018844279.db2.gz OYDKNMFBDFVOOS-OTDNITJGSA-N -1 0 314.338 -0.603 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001606471072 1018844784 /nfs/dbraw/zinc/84/47/84/1018844784.db2.gz WFTLMDMZRPOSGW-UHFFFAOYSA-N -1 0 312.322 -0.573 20 0 DBADRM O=C([O-])c1ccc(C(=O)N(CCO)CCN2CCOCC2)nc1 ZINC001606466139 1018845053 /nfs/dbraw/zinc/84/50/53/1018845053.db2.gz TZKJSAIYRQQWNO-UHFFFAOYSA-N -1 0 323.349 -0.454 20 0 DBADRM COC(=O)CNC(=O)Cc1cscc1C(=O)NCC(=O)[O-] ZINC001606471086 1018845141 /nfs/dbraw/zinc/84/51/41/1018845141.db2.gz WVMKUNWGUOJUAL-UHFFFAOYSA-N -1 0 314.319 -0.606 20 0 DBADRM COC(=O)CN(CCN1CCOCC1)c1cnc(C(=O)[O-])cn1 ZINC001606468771 1018845167 /nfs/dbraw/zinc/84/51/67/1018845167.db2.gz WLHPMMABQZBIBO-UHFFFAOYSA-N -1 0 324.337 -0.514 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)CCOCC1CCC1 ZINC001606468525 1018845725 /nfs/dbraw/zinc/84/57/25/1018845725.db2.gz JCYUQXSRDBDLNC-UHFFFAOYSA-N -1 0 323.367 -0.308 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCC(=O)c1cnn(C)c1 ZINC001606464733 1018845947 /nfs/dbraw/zinc/84/59/47/1018845947.db2.gz LHEYTOMFPJLFBP-UHFFFAOYSA-N -1 0 311.294 -0.531 20 0 DBADRM COC(=O)Cc1occc1C(=O)N[C@@H](CC(=O)OC)C(=O)[O-] ZINC001606484384 1018846414 /nfs/dbraw/zinc/84/64/14/1018846414.db2.gz SJQKMENFKPJTOE-QMMMGPOBSA-N -1 0 313.262 -0.259 20 0 DBADRM COC(=O)CSCCC(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001606474800 1018846479 /nfs/dbraw/zinc/84/64/79/1018846479.db2.gz RUXPFXLYAPMYMC-UHFFFAOYSA-N -1 0 305.352 -0.375 20 0 DBADRM COC(=O)CSCCNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001606474477 1018847026 /nfs/dbraw/zinc/84/70/26/1018847026.db2.gz AQGHXGQXANTRIL-UHFFFAOYSA-N -1 0 323.352 -0.708 20 0 DBADRM COC(=O)N(C)CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001606486353 1018847049 /nfs/dbraw/zinc/84/70/49/1018847049.db2.gz LZDIAQBROBFXLV-RKDXNWHRSA-N -1 0 315.326 -0.878 20 0 DBADRM O=C(/C=C\C1CCOCC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001606480129 1018847073 /nfs/dbraw/zinc/84/70/73/1018847073.db2.gz IJDGKMFDEUMFRU-UPHRSURJSA-N -1 0 318.341 -0.443 20 0 DBADRM COC(=O)Cc1occc1C(=O)N[C@H](CC(=O)[O-])C(=O)OC ZINC001606483882 1018847271 /nfs/dbraw/zinc/84/72/71/1018847271.db2.gz KDLYFKOULUUXSR-MRVPVSSYSA-N -1 0 313.262 -0.259 20 0 DBADRM COC(=O)C[C@@H](OC(=O)CCN1C(=O)CCC1=O)C(=O)[O-] ZINC001606476503 1018847354 /nfs/dbraw/zinc/84/73/54/1018847354.db2.gz IQXCIESBIMSIPK-SSDOTTSWSA-N -1 0 301.251 -0.915 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@]2(OCCO)CCOC2)nc1 ZINC001606472709 1018847417 /nfs/dbraw/zinc/84/74/17/1018847417.db2.gz FLGKXOFXJGGNBR-CQSZACIVSA-N -1 0 310.306 -0.322 20 0 DBADRM O=C(C=Cc1ccccc1-c1nn[nH]n1)Nn1c(=O)[n-][nH]c1=O ZINC001606486040 1018847508 /nfs/dbraw/zinc/84/75/08/1018847508.db2.gz QZLAYBUFMOFNSI-AATRIKPKSA-N -1 0 314.265 -0.347 20 0 DBADRM COC(=O)N1CC(NC(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001606487819 1018848044 /nfs/dbraw/zinc/84/80/44/1018848044.db2.gz ILHBIKPCSHKRGB-UHFFFAOYSA-N -1 0 309.278 -0.887 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CC[C@](OC)(C(=O)[O-])C2)C1 ZINC001606488235 1018848627 /nfs/dbraw/zinc/84/86/27/1018848627.db2.gz UXYNBOMJMRWVNJ-GFCCVEGCSA-N -1 0 301.299 -0.678 20 0 DBADRM COC(=O)N1CCC(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001606490050 1018848727 /nfs/dbraw/zinc/84/87/27/1018848727.db2.gz RWBQMQSUIZPVCD-WDEREUQCSA-N -1 0 314.338 -0.241 20 0 DBADRM COC(=O)N(C)CCNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001606487878 1018848838 /nfs/dbraw/zinc/84/88/38/1018848838.db2.gz JRSSNUSMZQJFGV-IUCAKERBSA-N -1 0 303.315 -0.432 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC/C=C\CNC(=O)c1cnc([O-])n(C)c1=O ZINC001501657283 1018849110 /nfs/dbraw/zinc/84/91/10/1018849110.db2.gz VUMCOHSBOQYYQV-QKMQQOOLSA-N -1 0 320.349 -0.456 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cnn(C)c1 ZINC001606505097 1018849385 /nfs/dbraw/zinc/84/93/85/1018849385.db2.gz DAWOQUUGNSCFJJ-MRVPVSSYSA-N -1 0 305.312 -0.895 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC001606504803 1018849728 /nfs/dbraw/zinc/84/97/28/1018849728.db2.gz GENCYHYSIOLYAJ-IVZWLZJFSA-N -1 0 314.338 -0.199 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC001606504804 1018849745 /nfs/dbraw/zinc/84/97/45/1018849745.db2.gz GENCYHYSIOLYAJ-KXUCPTDWSA-N -1 0 314.338 -0.199 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C1=C[S@@](=O)CCC1 ZINC001606505423 1018849916 /nfs/dbraw/zinc/84/99/16/1018849916.db2.gz OYEAXGSRUJWANO-YBYGRFCBSA-N -1 0 303.336 -0.065 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001606507265 1018849966 /nfs/dbraw/zinc/84/99/66/1018849966.db2.gz YFTYTWRLUPNJBQ-IVZWLZJFSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)CC(C)(C)OC ZINC001606504655 1018850149 /nfs/dbraw/zinc/85/01/49/1018850149.db2.gz AQCZKDOETZCRMM-MRVPVSSYSA-N -1 0 311.356 -0.263 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C1 ZINC001606510106 1018850478 /nfs/dbraw/zinc/85/04/78/1018850478.db2.gz WNBOBXZPKUQBLV-HXFLIBJXSA-N -1 0 309.340 -0.919 20 0 DBADRM O=C(CC1OCCO1)OCCNc1ncccc1-c1nn[nH]n1 ZINC001606507597 1018850508 /nfs/dbraw/zinc/85/05/08/1018850508.db2.gz HETGKDXANGSRKL-UHFFFAOYSA-N -1 0 320.309 -0.020 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001606518775 1018851413 /nfs/dbraw/zinc/85/14/13/1018851413.db2.gz YKPVSKGDLQHKLX-UHFFFAOYSA-N -1 0 304.270 -0.933 20 0 DBADRM COC(=O)[C@H]1C[C@H]1CNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001606520014 1018851898 /nfs/dbraw/zinc/85/18/98/1018851898.db2.gz RCFRGPLUQBYNIP-AEJSXWLSSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H](CF)C(=O)[O-] ZINC001606525747 1018852935 /nfs/dbraw/zinc/85/29/35/1018852935.db2.gz XSWLLDCEFPFEHY-RXMQYKEDSA-N -1 0 309.275 -0.794 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)C1 ZINC001606520327 1018853310 /nfs/dbraw/zinc/85/33/10/1018853310.db2.gz YOBAXFQUJKUGFU-AATLWQCWSA-N -1 0 312.322 -0.624 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CC3(C2)C[C@H](O)CNC3=O)CC=CCC1 ZINC001606568949 1018854953 /nfs/dbraw/zinc/85/49/53/1018854953.db2.gz DFBNUBQZEMRSKD-ZUZCIYMTSA-N -1 0 308.334 -0.493 20 0 DBADRM O=C([O-])[C@@H](NCC(=O)N1CCNC(=O)C1)c1ccc(F)cc1 ZINC001606564245 1018855184 /nfs/dbraw/zinc/85/51/84/1018855184.db2.gz RFFZCDTYHDMCNI-ZDUSSCGKSA-N -1 0 309.297 -0.501 20 0 DBADRM O=C([O-])[C@]1(C(=O)NN2C(=O)c3ccccc3C2=O)CCCO1 ZINC001606566543 1018855227 /nfs/dbraw/zinc/85/52/27/1018855227.db2.gz OIJNPSDMHRFDQD-CQSZACIVSA-N -1 0 304.258 -0.052 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CC[C@@](OC)(C(=O)[O-])C2)n1 ZINC001606571270 1018857143 /nfs/dbraw/zinc/85/71/43/1018857143.db2.gz BQFCHWZOWNPXFD-ZDUSSCGKSA-N -1 0 311.294 -0.837 20 0 DBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N(C)CCO)c1 ZINC001606579354 1018857154 /nfs/dbraw/zinc/85/71/54/1018857154.db2.gz MHRCRTOCRLPBDR-UHFFFAOYSA-N -1 0 317.319 -0.216 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)NC[C@H]1COCO1 ZINC001606576411 1018857185 /nfs/dbraw/zinc/85/71/85/1018857185.db2.gz XDIJCCYAXBFAOO-NSHDSACASA-N -1 0 305.294 -0.265 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)n1C ZINC001606572877 1018857204 /nfs/dbraw/zinc/85/72/04/1018857204.db2.gz XZQKRMSUXUKZLU-ZETCQYMHSA-N -1 0 312.278 -0.442 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])n1C ZINC001606571728 1018857727 /nfs/dbraw/zinc/85/77/27/1018857727.db2.gz AERIEWCPTIAVLZ-SNVBAGLBSA-N -1 0 323.305 -0.821 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)NCC(F)(F)CO ZINC001606577794 1018857998 /nfs/dbraw/zinc/85/79/98/1018857998.db2.gz WBWRTVKORFLCJX-UHFFFAOYSA-N -1 0 313.264 -0.011 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NC/C=C\C1CC1 ZINC001606615259 1018858268 /nfs/dbraw/zinc/85/82/68/1018858268.db2.gz LTMWDXBNWVAOTI-UPHRSURJSA-N -1 0 317.309 -0.789 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN[C@](C)(CO)C(=O)[O-])n1 ZINC001606614622 1018858884 /nfs/dbraw/zinc/85/88/84/1018858884.db2.gz XQRXCICPPBWQSF-CYBMUJFWSA-N -1 0 311.294 -0.768 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCCO)cc1C(=O)[O-] ZINC001606606780 1018858967 /nfs/dbraw/zinc/85/89/67/1018858967.db2.gz GPZPMGLTURJDOK-UHFFFAOYSA-N -1 0 303.292 -0.558 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])o1 ZINC001606607235 1018859073 /nfs/dbraw/zinc/85/90/73/1018859073.db2.gz SXHJQCFYPOFDJM-ZCFIWIBFSA-N -1 0 307.280 -0.820 20 0 DBADRM O=C(Cc1ncccc1F)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001606614828 1018859092 /nfs/dbraw/zinc/85/90/92/1018859092.db2.gz QNLSMFFVHQNRNF-UHFFFAOYSA-N -1 0 317.288 -0.649 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)nn1)NCc1ccccc1F ZINC001606617601 1018859258 /nfs/dbraw/zinc/85/92/58/1018859258.db2.gz WUHMAIDKYFEUSG-UHFFFAOYSA-N -1 0 302.273 -0.086 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CF)C(=O)[O-])cn1 ZINC001606605601 1018859437 /nfs/dbraw/zinc/85/94/37/1018859437.db2.gz SVWKXCODZRXCJR-MRVPVSSYSA-N -1 0 306.271 -0.431 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])o1 ZINC001606606026 1018859700 /nfs/dbraw/zinc/85/97/00/1018859700.db2.gz ZZUJCSMEYASZMZ-SNVBAGLBSA-N -1 0 307.280 -0.820 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)nn1)NCCOc1ccccc1 ZINC001606617468 1018859712 /nfs/dbraw/zinc/85/97/12/1018859712.db2.gz NXLCQDHVJJJIAJ-UHFFFAOYSA-N -1 0 314.309 -0.347 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001606624643 1018860045 /nfs/dbraw/zinc/86/00/45/1018860045.db2.gz BYGAJUDSCSFZNT-SNVBAGLBSA-N -1 0 321.286 -0.616 20 0 DBADRM COC(=O)c1cn(C2CN(c3ccc(C(=O)[O-])nn3)C2)nn1 ZINC001606623017 1018860274 /nfs/dbraw/zinc/86/02/74/1018860274.db2.gz MULBJEUOEGKWFW-UHFFFAOYSA-N -1 0 304.266 -0.386 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC(C2(O)CC2)CC1 ZINC001606621035 1018860392 /nfs/dbraw/zinc/86/03/92/1018860392.db2.gz YYOZBKACURLHGJ-UHFFFAOYSA-N -1 0 318.341 -0.778 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001606624629 1018860538 /nfs/dbraw/zinc/86/05/38/1018860538.db2.gz BYGAJUDSCSFZNT-JTQLQIEISA-N -1 0 321.286 -0.616 20 0 DBADRM COC(=O)c1ccn(CC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)n1 ZINC001606622469 1018860783 /nfs/dbraw/zinc/86/07/83/1018860783.db2.gz USIMWAXSJFAHKR-RCOVLWMOSA-N -1 0 317.248 -0.248 20 0 DBADRM COC(=O)c1ccnc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])c1 ZINC001606622673 1018861178 /nfs/dbraw/zinc/86/11/78/1018861178.db2.gz ZZENEINVYHFUJP-JTQLQIEISA-N -1 0 324.289 -0.186 20 0 DBADRM COC(=O)c1ccn(CCCC(=O)NC[C@H](O)CC(=O)[O-])n1 ZINC001606621892 1018861189 /nfs/dbraw/zinc/86/11/89/1018861189.db2.gz KROHBFCVFJCMME-SECBINFHSA-N -1 0 313.310 -0.598 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC001606621106 1018861357 /nfs/dbraw/zinc/86/13/57/1018861357.db2.gz XVBYDVSPHBNYAD-VHSXEESVSA-N -1 0 318.341 -0.372 20 0 DBADRM COC(=O)c1cccn(CC(=O)NC2(CC(=O)[O-])CC2)c1=O ZINC001606622098 1018861530 /nfs/dbraw/zinc/86/15/30/1018861530.db2.gz OFUZHZGMMCZMDZ-UHFFFAOYSA-N -1 0 308.290 -0.242 20 0 DBADRM COC(=O)c1cncc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC001606628772 1018862284 /nfs/dbraw/zinc/86/22/84/1018862284.db2.gz WUBKFPMSMRZQNZ-LLVKDONJSA-N -1 0 307.306 -0.357 20 0 DBADRM COC(=O)c1cn(CC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)nn1 ZINC001606626524 1018862633 /nfs/dbraw/zinc/86/26/33/1018862633.db2.gz ZXCIEWOSIPCDKA-RGOKHQFPSA-N -1 0 322.321 -0.320 20 0 DBADRM COC(=O)c1cnc(NC(=O)NCC(=O)NCC(=O)[O-])cc1C ZINC001606628053 1018863108 /nfs/dbraw/zinc/86/31/08/1018863108.db2.gz HKZHMPXLFQWMQP-UHFFFAOYSA-N -1 0 324.293 -0.501 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@H]1CN(c2ncc(C(=O)[O-])cn2)CCO1 ZINC001606659759 1018863454 /nfs/dbraw/zinc/86/34/54/1018863454.db2.gz ROOKTJOJJAGSNG-ONGXEEELSA-N -1 0 324.337 -0.469 20 0 DBADRM COC(C)(C)CS(=O)(=O)N[C@H](C(=O)[O-])c1ccn(C)n1 ZINC001606656082 1018863716 /nfs/dbraw/zinc/86/37/16/1018863716.db2.gz IJOXVPMZWGIGMR-VIFPVBQESA-N -1 0 305.356 -0.110 20 0 DBADRM CO[C@H](C(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1)c1cnn(C)c1 ZINC001606647815 1018863988 /nfs/dbraw/zinc/86/39/88/1018863988.db2.gz HFKJIGBOMRJXKH-JLLWLGSASA-N -1 0 311.338 -0.039 20 0 DBADRM CO[C@H](C)C(=O)NC[C@@H]1CN(c2ncc(C(=O)[O-])cn2)CCO1 ZINC001606659757 1018864100 /nfs/dbraw/zinc/86/41/00/1018864100.db2.gz ROOKTJOJJAGSNG-MWLCHTKSSA-N -1 0 324.337 -0.469 20 0 DBADRM COC1(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)CS(=O)(=O)C1 ZINC001606687066 1018866668 /nfs/dbraw/zinc/86/66/68/1018866668.db2.gz ACKWFRCIZFAUNK-NSHDSACASA-N -1 0 305.352 -0.487 20 0 DBADRM CO[C@H](C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-])c1cnn(C)c1 ZINC001606644258 1018864374 /nfs/dbraw/zinc/86/43/74/1018864374.db2.gz IYLFHFFZRLKLKX-PWSUYJOCSA-N -1 0 324.337 -0.701 20 0 DBADRM CO[C@@H](C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1CC1 ZINC001606649400 1018864473 /nfs/dbraw/zinc/86/44/73/1018864473.db2.gz SNVPYMSSEYPPQL-SECBINFHSA-N -1 0 305.352 -0.440 20 0 DBADRM CO[C@H](CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])C(F)(F)F ZINC001606674017 1018865125 /nfs/dbraw/zinc/86/51/25/1018865125.db2.gz SWBUKMVVIVKEQU-CRCLSJGQSA-N -1 0 304.196 -0.781 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(F)(F)F ZINC001606681148 1018865350 /nfs/dbraw/zinc/86/53/50/1018865350.db2.gz YZLBTQQWWFNAFM-RXMQYKEDSA-N -1 0 317.245 -0.037 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C(F)(F)F ZINC001606674223 1018866096 /nfs/dbraw/zinc/86/60/96/1018866096.db2.gz XYLPAGKWSQALBG-FSDSQADBSA-N -1 0 312.244 -0.341 20 0 DBADRM CO[C@@H](CC(C)C)CS(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001606668152 1018866162 /nfs/dbraw/zinc/86/61/62/1018866162.db2.gz HQEHLZMLGFOXNB-VWYCJHECSA-N -1 0 309.384 -0.103 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N(C)C1)OC ZINC001606669263 1018866311 /nfs/dbraw/zinc/86/63/11/1018866311.db2.gz TYMKNWHRNTVVNO-VIFPVBQESA-N -1 0 302.327 -0.613 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC001606690790 1018866589 /nfs/dbraw/zinc/86/65/89/1018866589.db2.gz DGGJVUNDPVXQOT-LFNDISMMSA-N -1 0 314.338 -0.629 20 0 DBADRM COC1(C(=O)N[C@H](CC(F)F)C(=O)[O-])CS(=O)(=O)C1 ZINC001606690341 1018867541 /nfs/dbraw/zinc/86/75/41/1018867541.db2.gz JOFSCSQMXJDLST-RXMQYKEDSA-N -1 0 301.267 -0.975 20 0 DBADRM COC1(C(=O)Nc2cnc(C)c(C(=O)[O-])c2)CS(=O)(=O)C1 ZINC001606692122 1018867998 /nfs/dbraw/zinc/86/79/98/1018867998.db2.gz UPSUSOKFVFMIPF-UHFFFAOYSA-N -1 0 314.319 -0.160 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001606696539 1018868474 /nfs/dbraw/zinc/86/84/74/1018868474.db2.gz DGBYURXRXLSGHU-BXKDBHETSA-N -1 0 320.367 -0.551 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC001606697150 1018868633 /nfs/dbraw/zinc/86/86/33/1018868633.db2.gz KWMWSDZOBBHLGL-AWEZNQCLSA-N -1 0 307.306 -0.487 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCSCC2)C1 ZINC001606692375 1018868865 /nfs/dbraw/zinc/86/88/65/1018868865.db2.gz WWZFCKWGAQFTEI-LBPRGKRZSA-N -1 0 302.352 -0.736 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCCCC(=O)NC2CC2)C1 ZINC001606699243 1018869559 /nfs/dbraw/zinc/86/95/59/1018869559.db2.gz QYIQXCDRNCKWII-AWEZNQCLSA-N -1 0 313.354 -0.070 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCC(=O)N(C)C2=O)C1 ZINC001606698525 1018869895 /nfs/dbraw/zinc/86/98/95/1018869895.db2.gz WVQXRTYVBMTAJR-ISVAXAHUSA-N -1 0 313.310 -0.981 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC001606703334 1018870245 /nfs/dbraw/zinc/87/02/45/1018870245.db2.gz NOWJAYDIXQRSPV-KGLIPLIRSA-N -1 0 311.338 -0.160 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCC[C@H]2CC(=O)N(C)C2)C1 ZINC001606698297 1018870434 /nfs/dbraw/zinc/87/04/34/1018870434.db2.gz HTAZMZMBAXRRQX-IINYFYTJSA-N -1 0 313.354 -0.260 20 0 DBADRM CO[C@H]1C[C@H](Cn2nnnc2N2CC[C@@](OC)(C(=O)[O-])C2)C1 ZINC001606706417 1018871008 /nfs/dbraw/zinc/87/10/08/1018871008.db2.gz LTVSRDYQEMLMCY-KWBADKCTSA-N -1 0 311.342 -0.222 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnc(-c3nccn3C)n2C)C1 ZINC001606705546 1018871118 /nfs/dbraw/zinc/87/11/18/1018871118.db2.gz CNPZTNJKLOBJJW-ZDUSSCGKSA-N -1 0 306.326 -0.105 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(Cc2nnnn2CC(F)(F)F)C1 ZINC001606707102 1018871318 /nfs/dbraw/zinc/87/13/18/1018871318.db2.gz XBCPXCBKXDRDJY-VIFPVBQESA-N -1 0 309.248 -0.089 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2Cc2cccc(F)n2)C1 ZINC001606706781 1018871657 /nfs/dbraw/zinc/87/16/57/1018871657.db2.gz RGIOYWNHBZZMLM-CYBMUJFWSA-N -1 0 322.300 -0.065 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC001606706618 1018871760 /nfs/dbraw/zinc/87/17/60/1018871760.db2.gz PELHEBIENBLSKE-BTQIBKBOSA-N -1 0 305.352 -0.188 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnnn2Cc2cccc(F)n2)C1 ZINC001606706782 1018872039 /nfs/dbraw/zinc/87/20/39/1018872039.db2.gz RGIOYWNHBZZMLM-ZDUSSCGKSA-N -1 0 322.300 -0.065 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H](C)N2CCN(C)CC2)[C@H](C(=O)[O-])C1 ZINC001606748009 1018872653 /nfs/dbraw/zinc/87/26/53/1018872653.db2.gz CESHOFILYWDSGX-UPJWGTAASA-N -1 0 313.398 -0.287 20 0 DBADRM COC[C@](C)(NC(=O)COCc1nnc(C)s1)C(=O)[O-] ZINC001606787747 1018878116 /nfs/dbraw/zinc/87/81/16/1018878116.db2.gz DSKFKCPABNWVCI-NSHDSACASA-N -1 0 303.340 -0.031 20 0 DBADRM CO[C@]1(CO)CCCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1 ZINC001606720716 1018873213 /nfs/dbraw/zinc/87/32/13/1018873213.db2.gz PDZIRIFKPVVSLB-ZHSDAYTOSA-N -1 0 301.339 -0.136 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001606772561 1018874723 /nfs/dbraw/zinc/87/47/23/1018874723.db2.gz YDVLUEKTIUULJA-VPOLOUISSA-N -1 0 319.379 -0.194 20 0 DBADRM COCC(=O)N(C)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001606772605 1018875179 /nfs/dbraw/zinc/87/51/79/1018875179.db2.gz SZUBNGOHHWLUNP-UHFFFAOYSA-N -1 0 301.324 -0.187 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001606771589 1018875250 /nfs/dbraw/zinc/87/52/50/1018875250.db2.gz JJCJKQFTUSGDOC-GHMZBOCLSA-N -1 0 316.354 -0.523 20 0 DBADRM COCC(=O)NCCC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001606774081 1018875634 /nfs/dbraw/zinc/87/56/34/1018875634.db2.gz DJZMBJSKERUYLX-WDEREUQCSA-N -1 0 316.354 -0.475 20 0 DBADRM COCC(=O)N(C)CC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC001606771234 1018875713 /nfs/dbraw/zinc/87/57/13/1018875713.db2.gz BWCJDWJLCKQBRK-NXEZZACHSA-N -1 0 302.327 -0.818 20 0 DBADRM COCC(=O)N1CCC[C@@](CO)(Nc2ncc(C(=O)[O-])cn2)C1 ZINC001606772971 1018875730 /nfs/dbraw/zinc/87/57/30/1018875730.db2.gz ZKTRNLUDYUPHJD-CQSZACIVSA-N -1 0 324.337 -0.413 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@@H](Cc1ccccc1O)C(=O)[O-] ZINC001606771507 1018875737 /nfs/dbraw/zinc/87/57/37/1018875737.db2.gz FSJKHBNYTRTMQT-NSHDSACASA-N -1 0 324.333 -0.391 20 0 DBADRM COCC(=O)N[C@H]1CCC[C@H]1CNc1ccnc(C(=O)[O-])n1 ZINC001606774794 1018875839 /nfs/dbraw/zinc/87/58/39/1018875839.db2.gz ZWFSJKDFYCBYOP-UWVGGRQHSA-N -1 0 308.338 -0.060 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CN1CCN(C2CC2)C1=O ZINC001606779194 1018876287 /nfs/dbraw/zinc/87/62/87/1018876287.db2.gz GUUJCZPQZIIDIC-AWEZNQCLSA-N -1 0 313.354 -0.118 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)N1CCN(C)CC1 ZINC001606779789 1018877176 /nfs/dbraw/zinc/87/71/76/1018877176.db2.gz KCBLCHVLPJNLCF-SMDDNHRTSA-N -1 0 301.387 -0.382 20 0 DBADRM O=C(NCCOCC1CC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001606787236 1018877627 /nfs/dbraw/zinc/87/76/27/1018877627.db2.gz UYNWBIWTMABSDU-UHFFFAOYSA-N -1 0 321.345 -0.816 20 0 DBADRM COC[C@](C)(NC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)[O-] ZINC001606791114 1018877677 /nfs/dbraw/zinc/87/76/77/1018877677.db2.gz KSBMUDAJAAGVHO-JTQLQIEISA-N -1 0 306.296 -0.854 20 0 DBADRM COC[C@](C)(NS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-] ZINC001606791791 1018878151 /nfs/dbraw/zinc/87/81/51/1018878151.db2.gz PQGGTXDDPMOMRF-QMMMGPOBSA-N -1 0 323.289 -0.026 20 0 DBADRM COC[C@](C)(O)c1nnc(N2CC[C@](OC)(C(=O)[O-])C2)n1C ZINC001606792680 1018878523 /nfs/dbraw/zinc/87/85/23/1018878523.db2.gz ZFEITKNIGIDPRM-QWHCGFSZSA-N -1 0 314.342 -0.651 20 0 DBADRM COC[C@](C)(NCC(=O)N1CCC[C@H](NC(C)=O)C1)C(=O)[O-] ZINC001606790694 1018878610 /nfs/dbraw/zinc/87/86/10/1018878610.db2.gz DDMOYCXKEJDAGF-FZMZJTMJSA-N -1 0 315.370 -0.807 20 0 DBADRM O=C(NCCc1ccc(-c2nn[nH]n2)cc1)C1CS(=O)(=O)C1 ZINC001606794329 1018878821 /nfs/dbraw/zinc/87/88/21/1018878821.db2.gz QHRTVZVMCYXVPB-UHFFFAOYSA-N -1 0 321.362 -0.430 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-] ZINC001606791789 1018878904 /nfs/dbraw/zinc/87/89/04/1018878904.db2.gz PQGGTXDDPMOMRF-MRVPVSSYSA-N -1 0 323.289 -0.026 20 0 DBADRM COC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001606800871 1018879328 /nfs/dbraw/zinc/87/93/28/1018879328.db2.gz WJPGWQFTPAVBKL-MRVPVSSYSA-N -1 0 314.269 -0.414 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NCc1cccnc1 ZINC001606802235 1018879945 /nfs/dbraw/zinc/87/99/45/1018879945.db2.gz JBNZOHJHUWGRCL-UHFFFAOYSA-N -1 0 314.313 -0.647 20 0 DBADRM COC[C@H](CCO)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001606800214 1018880185 /nfs/dbraw/zinc/88/01/85/1018880185.db2.gz FYWDUBAXKMPJNP-VIFPVBQESA-N -1 0 304.324 -0.545 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1n[nH]c2c1CCC2 ZINC001606802884 1018880402 /nfs/dbraw/zinc/88/04/02/1018880402.db2.gz SDTWLKYGCLVUPM-UHFFFAOYSA-N -1 0 314.313 -0.900 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CC[C@H](CF)C1 ZINC001606801928 1018880671 /nfs/dbraw/zinc/88/06/71/1018880671.db2.gz DHQLENSVDFNMTH-MRVPVSSYSA-N -1 0 309.309 -0.541 20 0 DBADRM COC[C@H](CN1CCO[C@@H](C)C1)OC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001606800572 1018880708 /nfs/dbraw/zinc/88/07/08/1018880708.db2.gz NJBSOSUCNXXJMX-FIQHERPVSA-N -1 0 301.339 -0.014 20 0 DBADRM COCC(COC)OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606805189 1018881060 /nfs/dbraw/zinc/88/10/60/1018881060.db2.gz XCSPZTPQDWIMMU-SNVBAGLBSA-N -1 0 303.311 -0.486 20 0 DBADRM COC[C@H](NC(=O)Cn1cc(Br)cn1)C(=O)[O-] ZINC001606811401 1018881110 /nfs/dbraw/zinc/88/11/10/1018881110.db2.gz ZKDYRNDYTSRCDE-ZETCQYMHSA-N -1 0 306.116 -0.139 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)C(=O)[O-] ZINC001606806384 1018881530 /nfs/dbraw/zinc/88/15/30/1018881530.db2.gz OYWSIBGABWNPMY-RQJHMYQMSA-N -1 0 312.244 -0.245 20 0 DBADRM COC[C@H](NC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(=O)[O-] ZINC001606813731 1018881729 /nfs/dbraw/zinc/88/17/29/1018881729.db2.gz YJJLETRDMPFQAM-VIFPVBQESA-N -1 0 312.326 -0.277 20 0 DBADRM COC[C@@H](NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C)C(=O)[O-] ZINC001606809104 1018881975 /nfs/dbraw/zinc/88/19/75/1018881975.db2.gz GYWOLFBVCOZHJF-SNVBAGLBSA-N -1 0 322.321 -0.190 20 0 DBADRM COC[C@H](O)CCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001606820018 1018882698 /nfs/dbraw/zinc/88/26/98/1018882698.db2.gz YXWRVTCRRLNESM-SECBINFHSA-N -1 0 304.324 -0.545 20 0 DBADRM COC[C@@H](O)C(=O)OCCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC001606817261 1018883250 /nfs/dbraw/zinc/88/32/50/1018883250.db2.gz BIPYGTUFUIYTFO-VUMIPSPVSA-N -1 0 319.335 -0.572 20 0 DBADRM COC[C@H](OC)C(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001606823698 1018883282 /nfs/dbraw/zinc/88/32/82/1018883282.db2.gz WWEDSQSHGQHMHV-BBBLOLIVSA-N -1 0 303.311 -0.487 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-] ZINC001606818194 1018883319 /nfs/dbraw/zinc/88/33/19/1018883319.db2.gz KAPFHJHRCADCSC-WPRPVWTQSA-N -1 0 319.339 -0.778 20 0 DBADRM COC[C@@H](O)C(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001606818608 1018883412 /nfs/dbraw/zinc/88/34/12/1018883412.db2.gz MTNARUOZVSMAHA-PSASIEDQSA-N -1 0 303.311 -0.751 20 0 DBADRM COCC1(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CCOCC1 ZINC001606821796 1018883537 /nfs/dbraw/zinc/88/35/37/1018883537.db2.gz KEEMPQPNWQVUNL-MNOVXSKESA-N -1 0 301.339 -0.276 20 0 DBADRM COCC1(O)CN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001606842912 1018885622 /nfs/dbraw/zinc/88/56/22/1018885622.db2.gz XSHMMAYMOLSARP-ZJUUUORDSA-N -1 0 307.368 -0.347 20 0 DBADRM COCC1(S(=O)(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])CC1 ZINC001606842849 1018885656 /nfs/dbraw/zinc/88/56/56/1018885656.db2.gz UARXCZPVAVVZPV-VIFPVBQESA-N -1 0 320.367 -0.840 20 0 DBADRM COCC1(CS(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-])CCC1 ZINC001606840854 1018885866 /nfs/dbraw/zinc/88/58/66/1018885866.db2.gz DTEKFIYQWNXTIY-VIFPVBQESA-N -1 0 309.384 -0.053 20 0 DBADRM COC[C@@H]1CC[C@H]([C@@H]2COCCN2C[C@](C)(O)C(=O)[O-])O1 ZINC001606845298 1018886023 /nfs/dbraw/zinc/88/60/23/1018886023.db2.gz JUGQAEIRLPFZNS-FMSGJZPZSA-N -1 0 303.355 -0.283 20 0 DBADRM COCCC(=O)N1C[C@@H](C(=O)[O-])N(C(=O)CCOC)C[C@H]1C ZINC001606850299 1018887282 /nfs/dbraw/zinc/88/72/82/1018887282.db2.gz REMGVCMZCRIZFF-MNOVXSKESA-N -1 0 316.354 -0.428 20 0 DBADRM COC[C@H]1COCCN1S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001606849857 1018887372 /nfs/dbraw/zinc/88/73/72/1018887372.db2.gz KKFNDJAHXOTNQM-QMMMGPOBSA-N -1 0 319.339 -0.548 20 0 DBADRM COC[C@H]1COCCN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC001606850283 1018887607 /nfs/dbraw/zinc/88/76/07/1018887607.db2.gz QURFNGNZZKYBET-ZETCQYMHSA-N -1 0 322.364 -0.123 20 0 DBADRM COC[C@H]1COCCN1C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606849541 1018887653 /nfs/dbraw/zinc/88/76/53/1018887653.db2.gz IAOWBGRYELEHGX-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM COCC[C@H](NS(=O)(=O)C1(C(=O)OC)CCC1)C(=O)[O-] ZINC001606859692 1018888806 /nfs/dbraw/zinc/88/88/06/1018888806.db2.gz URWGFKFPVIKEIB-QMMMGPOBSA-N -1 0 309.340 -0.509 20 0 DBADRM COCC[C@H](NC(=O)c1cc(S(N)(=O)=O)c(C)o1)C(=O)[O-] ZINC001606856861 1018888832 /nfs/dbraw/zinc/88/88/32/1018888832.db2.gz NDPMAIPEMIJMFP-ZETCQYMHSA-N -1 0 320.323 -0.545 20 0 DBADRM COCCCN(CCO)C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001606870049 1018890245 /nfs/dbraw/zinc/89/02/45/1018890245.db2.gz QDLLTTNSTGNYTN-UHFFFAOYSA-N -1 0 300.315 -0.019 20 0 DBADRM COCCCCC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001606870115 1018890380 /nfs/dbraw/zinc/89/03/80/1018890380.db2.gz SXALLXLNRNJFTI-UHFFFAOYSA-N -1 0 307.368 -0.049 20 0 DBADRM COCCCn1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cn1 ZINC001606878445 1018890741 /nfs/dbraw/zinc/89/07/41/1018890741.db2.gz YOSYKBRZOAQYCW-NSHDSACASA-N -1 0 324.337 -0.665 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001606878944 1018890870 /nfs/dbraw/zinc/89/08/70/1018890870.db2.gz YMSIVKWTBXQQNF-ZJUUUORDSA-N -1 0 322.383 -0.736 20 0 DBADRM COCCCNC(=O)CN1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001606869467 1018890891 /nfs/dbraw/zinc/89/08/91/1018890891.db2.gz KIGSZZYYOHXRSK-WDEREUQCSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCCNC(=O)CN1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001606869971 1018891332 /nfs/dbraw/zinc/89/13/32/1018891332.db2.gz PZXFLJZNPBOLNH-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM COCCCOCC(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001606871501 1018891384 /nfs/dbraw/zinc/89/13/84/1018891384.db2.gz MBKWIQZQZSYVHX-MNOVXSKESA-N -1 0 317.338 -0.096 20 0 DBADRM COCCN(CC(=O)OC)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001606883807 1018891682 /nfs/dbraw/zinc/89/16/82/1018891682.db2.gz FCXVQUJLSYNGOX-WDEREUQCSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)CC1=O ZINC001606892804 1018891692 /nfs/dbraw/zinc/89/16/92/1018891692.db2.gz ATIGXPZLAPNYNX-MJDLHHQISA-N -1 0 310.350 -0.293 20 0 DBADRM COCCN1C[C@@H](C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1=O ZINC001606893080 1018891738 /nfs/dbraw/zinc/89/17/38/1018891738.db2.gz GRHGDJMCWBLGTD-NRPADANISA-N -1 0 320.292 -0.437 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001606886834 1018892890 /nfs/dbraw/zinc/89/28/90/1018892890.db2.gz HCSWCEUYIIVSES-GHMZBOCLSA-N -1 0 312.326 -0.463 20 0 DBADRM COCCN(CC(=O)[O-])Cc1nnnn1CC1CCOCC1 ZINC001606883859 1018892964 /nfs/dbraw/zinc/89/29/64/1018892964.db2.gz RBZBYAQWCIPTJV-UHFFFAOYSA-N -1 0 313.358 -0.367 20 0 DBADRM COCCO[C@H]1CCN(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])C1 ZINC001606901946 1018893863 /nfs/dbraw/zinc/89/38/63/1018893863.db2.gz ZVVLNSYUBRZREW-SRVKXCTJSA-N -1 0 316.354 -0.077 20 0 DBADRM COCCN1CCN(C(=O)Nc2ccc(C(=O)[O-])nn2)CC1=O ZINC001606895580 1018894093 /nfs/dbraw/zinc/89/40/93/1018894093.db2.gz SENSCNRQLDXZKE-UHFFFAOYSA-N -1 0 323.309 -0.503 20 0 DBADRM COCCOCCCN1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC001606903265 1018894240 /nfs/dbraw/zinc/89/42/40/1018894240.db2.gz GSTPLUFCUWHEFR-BBBLOLIVSA-N -1 0 300.311 -0.319 20 0 DBADRM COCCOCCC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001606903573 1018894348 /nfs/dbraw/zinc/89/43/48/1018894348.db2.gz OTCJYMSRYYYTDI-QWRGUYRKSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCc1nnc(N2CCO[C@H](C(=O)[O-])C2)n1CCOC ZINC001606924213 1018895166 /nfs/dbraw/zinc/89/51/66/1018895166.db2.gz ACLFTLZCABNOMO-JTQLQIEISA-N -1 0 314.342 -0.597 20 0 DBADRM COCCc1noc(CN(C)[C@H](C)C(=O)NCC(=O)[O-])n1 ZINC001606922964 1018895306 /nfs/dbraw/zinc/89/53/06/1018895306.db2.gz FCQPHZUPAZRSMU-MRVPVSSYSA-N -1 0 300.315 -0.720 20 0 DBADRM COCCOc1cc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])ccn1 ZINC001606908070 1018895376 /nfs/dbraw/zinc/89/53/76/1018895376.db2.gz NQLPESACARSQPF-GHMZBOCLSA-N -1 0 310.306 -0.233 20 0 DBADRM COCCS(=O)(=O)CCCn1cc(C(=O)[O-])ccc1=O ZINC001606919721 1018895517 /nfs/dbraw/zinc/89/55/17/1018895517.db2.gz QBNZDYGPWBPRSZ-UHFFFAOYSA-N -1 0 303.336 -0.002 20 0 DBADRM COCCn1cc(C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])cn1 ZINC001606929017 1018895623 /nfs/dbraw/zinc/89/56/23/1018895623.db2.gz CULZVQNLGBCAAZ-AWEZNQCLSA-N -1 0 321.337 -0.001 20 0 DBADRM COCCOc1cccc(CC(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001606917393 1018895855 /nfs/dbraw/zinc/89/58/55/1018895855.db2.gz OZKQVYBOXIGFNR-UHFFFAOYSA-N -1 0 324.333 -0.429 20 0 DBADRM COCCn1c(C[C@@H](C)O)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001606927966 1018895966 /nfs/dbraw/zinc/89/59/66/1018895966.db2.gz VWMYWNWBJQZGOM-RNCFNFMXSA-N -1 0 316.333 -0.149 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])cn1 ZINC001606931655 1018896360 /nfs/dbraw/zinc/89/63/60/1018896360.db2.gz NYFIUELJJCSNJV-ZJUUUORDSA-N -1 0 303.340 -0.329 20 0 DBADRM COC[C@H](CO)NC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001606937802 1018896455 /nfs/dbraw/zinc/89/64/55/1018896455.db2.gz OJYDDLQUVDAKJV-IUCAKERBSA-N -1 0 312.326 -0.277 20 0 DBADRM COCCn1cc(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])cn1 ZINC001606931448 1018896484 /nfs/dbraw/zinc/89/64/84/1018896484.db2.gz KFDRFDPMBQIANF-PSASIEDQSA-N -1 0 303.340 -0.472 20 0 DBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001606936763 1018896558 /nfs/dbraw/zinc/89/65/58/1018896558.db2.gz CIPRBCDBRKUKGW-GUBZILKMSA-N -1 0 322.383 -0.608 20 0 DBADRM COCCn1c([C@H](C)O)nnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC001606929104 1018896624 /nfs/dbraw/zinc/89/66/24/1018896624.db2.gz GCFOXNXKMREZEE-UWVGGRQHSA-N -1 0 314.342 -0.342 20 0 DBADRM COCCn1nc(C(=O)N(OC)[C@@H](C)CC(=O)[O-])ccc1=O ZINC001606932613 1018897005 /nfs/dbraw/zinc/89/70/05/1018897005.db2.gz FICQQIYCGWEDIE-VIFPVBQESA-N -1 0 313.310 -0.244 20 0 DBADRM COCCn1cc(NC(=O)C(=O)NCCC(=O)[O-])ccc1=O ZINC001606931764 1018897039 /nfs/dbraw/zinc/89/70/39/1018897039.db2.gz RXIKOORDDKGTFM-UHFFFAOYSA-N -1 0 311.294 -0.976 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001606936815 1018897072 /nfs/dbraw/zinc/89/70/72/1018897072.db2.gz GSTYQVWEMFJXKE-MMWGEVLESA-N -1 0 302.327 -0.733 20 0 DBADRM COCCn1ncc(C(=O)N2CCN(CC(=O)[O-])CC2)c1C ZINC001606933588 1018897322 /nfs/dbraw/zinc/89/73/22/1018897322.db2.gz MQXQDPJYFNQOOA-UHFFFAOYSA-N -1 0 310.354 -0.320 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001606937711 1018897355 /nfs/dbraw/zinc/89/73/55/1018897355.db2.gz HTCKUSFLMLCFPU-QJPTWQEYSA-N -1 0 302.371 -0.317 20 0 DBADRM COCCn1cc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)nn1 ZINC001606929811 1018897555 /nfs/dbraw/zinc/89/75/55/1018897555.db2.gz YUAXJGXRYVWJOF-LLVKDONJSA-N -1 0 312.326 -0.778 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1ccc(-c3nn[nH]n3)nn1)C2 ZINC001606962060 1018898014 /nfs/dbraw/zinc/89/80/14/1018898014.db2.gz BLLSHMYQKVQZDC-JMCQJSRRSA-N -1 0 303.282 -0.806 20 0 DBADRM O=C(N=c1nn[n-]n1C1CC1)c1ccc(-c2nn[nH]n2)s1 ZINC001606953809 1018898828 /nfs/dbraw/zinc/89/88/28/1018898828.db2.gz BUNVCXJOYCDPFJ-UHFFFAOYSA-N -1 0 303.311 -0.076 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC001606962118 1018899259 /nfs/dbraw/zinc/89/92/59/1018899259.db2.gz FIUIZPBGIFGCSS-ZJUUUORDSA-N -1 0 318.293 -0.082 20 0 DBADRM COCc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)no1 ZINC001606940007 1018899461 /nfs/dbraw/zinc/89/94/61/1018899461.db2.gz VUIXKXXZURJKAO-RKDXNWHRSA-N -1 0 312.278 -0.233 20 0 DBADRM CON1CCC(NC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001606994718 1018899949 /nfs/dbraw/zinc/89/99/49/1018899949.db2.gz RSZGHNIYFOYUCV-JGZJWPJOSA-N -1 0 313.354 -0.550 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001606990070 1018900452 /nfs/dbraw/zinc/90/04/52/1018900452.db2.gz KQPZEELIALIXKA-ZETCQYMHSA-N -1 0 315.282 -0.586 20 0 DBADRM CON(C(=O)CCCN1C(=O)CN(C)C1=O)[C@H](C)CC(=O)[O-] ZINC001606986402 1018900919 /nfs/dbraw/zinc/90/09/19/1018900919.db2.gz JZKYCLWSCYGVKE-SECBINFHSA-N -1 0 315.326 -0.086 20 0 DBADRM CON(C)C(=O)[C@@H](C)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001606990261 1018902117 /nfs/dbraw/zinc/90/21/17/1018902117.db2.gz RZQOQCVAOMYZNX-HLTSFMKQSA-N -1 0 308.356 -0.433 20 0 DBADRM CON(C)C(=O)[C@@H](C)N1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001606990115 1018902220 /nfs/dbraw/zinc/90/22/20/1018902220.db2.gz MFORRPNEVLHRCK-IWSPIJDZSA-N -1 0 313.310 -0.478 20 0 DBADRM CON(C)C[C@H](O)Cn1cc(NC(=O)C2(C(=O)[O-])CC2)cn1 ZINC001606989727 1018902578 /nfs/dbraw/zinc/90/25/78/1018902578.db2.gz QCMKZFMSUMVJHM-JTQLQIEISA-N -1 0 312.326 -0.460 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001607000091 1018904899 /nfs/dbraw/zinc/90/48/99/1018904899.db2.gz RHLSVNUJDVJDOG-WDEREUQCSA-N -1 0 310.310 -0.370 20 0 DBADRM CO[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001606999794 1018905412 /nfs/dbraw/zinc/90/54/12/1018905412.db2.gz FYPXRLRSIDVZMT-BBBLOLIVSA-N -1 0 323.367 -0.311 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])cn2C)C[C@H]1O ZINC001606999143 1018905500 /nfs/dbraw/zinc/90/55/00/1018905500.db2.gz HNTRVFMIYSGFES-RKDXNWHRSA-N -1 0 304.324 -0.897 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C[C@@H]1OC ZINC001607005241 1018908738 /nfs/dbraw/zinc/90/87/38/1018908738.db2.gz DZJVJWPKPCYJMZ-PHIMTYICSA-N -1 0 316.335 -0.186 20 0 DBADRM COc1c2cnn(C)c2ncc1C(=O)NC[C@H](O)CC(=O)[O-] ZINC001607009809 1018910375 /nfs/dbraw/zinc/91/03/75/1018910375.db2.gz IPQRDBJBJSJEHW-SSDOTTSWSA-N -1 0 308.294 -0.458 20 0 DBADRM O=C(NC[C@@H]1CCC(=O)N1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001607045571 1018922757 /nfs/dbraw/zinc/92/27/57/1018922757.db2.gz QDAAGKUTFAPCNQ-QMMMGPOBSA-N -1 0 302.294 -0.419 20 0 DBADRM O=C1O[C@H](Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)CC12CCC2 ZINC001607055155 1018932407 /nfs/dbraw/zinc/93/24/07/1018932407.db2.gz YUYQFRANFATUNW-ZETCQYMHSA-N -1 0 318.293 -0.385 20 0 DBADRM O=S(=O)(NC1COCCOC1)c1ccc(-c2nnn[n-]2)o1 ZINC001607063935 1018934612 /nfs/dbraw/zinc/93/46/12/1018934612.db2.gz VTSFOMXIWKLKDB-UHFFFAOYSA-N -1 0 315.311 -0.847 20 0 DBADRM C/C(=C\C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001502040876 1018937020 /nfs/dbraw/zinc/93/70/20/1018937020.db2.gz DLKQFDXSMSYGKX-WVXIBAHESA-N -1 0 321.337 -0.126 20 0 DBADRM O=c1[n-]c(S(=O)(=O)Cc2ccccc2-c2nn[nH]n2)n[nH]1 ZINC001607060680 1018939777 /nfs/dbraw/zinc/93/97/77/1018939777.db2.gz YWOPDMZUOISPKC-UHFFFAOYSA-N -1 0 307.295 -0.336 20 0 DBADRM O=[S@](CCNc1ccnc(-c2nnn[n-]2)n1)CC(F)(F)F ZINC001607073157 1018942040 /nfs/dbraw/zinc/94/20/40/1018942040.db2.gz GASYLZPPZDUYSY-OAQYLSRUSA-N -1 0 321.288 -0.199 20 0 DBADRM COc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)ncn1 ZINC001607068439 1018943968 /nfs/dbraw/zinc/94/39/68/1018943968.db2.gz VODKHCRLLBTAGH-IUCAKERBSA-N -1 0 320.305 -0.854 20 0 DBADRM COc1cc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])ncn1 ZINC001607076480 1018947606 /nfs/dbraw/zinc/94/76/06/1018947606.db2.gz ZRWHCCVXQZEIQC-QMMMGPOBSA-N -1 0 311.294 -0.179 20 0 DBADRM O=S1(=O)C[C@@H]2CCN(c3ccnc(-c4nnn[n-]4)n3)C[C@@H]2C1 ZINC001607074935 1018952306 /nfs/dbraw/zinc/95/23/06/1018952306.db2.gz RCDBTWDDAOOACK-DTWKUNHWSA-N -1 0 321.366 -0.472 20 0 DBADRM O=S1(=O)C[C@H]2CCN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001607074931 1018953129 /nfs/dbraw/zinc/95/31/29/1018953129.db2.gz RCDBTWDDAOOACK-BDAKNGLRSA-N -1 0 321.366 -0.472 20 0 DBADRM O[C@@H]1c2ccccc2OC[C@@H]1Nc1ccnc(-c2nnn[n-]2)n1 ZINC001607098997 1018957161 /nfs/dbraw/zinc/95/71/61/1018957161.db2.gz CAVYRGPWLNYNQY-JOYOIKCWSA-N -1 0 311.305 -0.015 20 0 DBADRM O[C@@H](C[C@H](O)c1ccccc1)Cn1cc(-c2nnn[n-]2)nn1 ZINC001607092341 1018959938 /nfs/dbraw/zinc/95/99/38/1018959938.db2.gz VXVYQZWKQZDXRH-JQWIXIFHSA-N -1 0 301.310 -0.057 20 0 DBADRM O=c1cc(-c2nnn[n-]2)ncn1C[C@@H](O)CCC1(O)CCC1 ZINC001607090729 1018961657 /nfs/dbraw/zinc/96/16/57/1018961657.db2.gz WVMOICYQIKZGKN-VIFPVBQESA-N -1 0 306.326 -0.521 20 0 DBADRM O=c1[n-]c([C@H]2CCCN(c3cc(-c4nn[nH]n4)ncn3)C2)n[nH]1 ZINC001607090602 1018962392 /nfs/dbraw/zinc/96/23/92/1018962392.db2.gz OMCQRWVYFQNVHT-ZETCQYMHSA-N -1 0 314.313 -0.136 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)NN1CC(=O)NC1=O ZINC001607134416 1018974473 /nfs/dbraw/zinc/97/44/73/1018974473.db2.gz KVHRYWRMSWFYFW-UHFFFAOYSA-N -1 0 308.250 -0.018 20 0 DBADRM COc1cc(C(=O)[O-])ccc1CCNC(=O)N[C@@H]1COC[C@@H]1O ZINC001607114651 1018974876 /nfs/dbraw/zinc/97/48/76/1018974876.db2.gz XCUYGHGUOAPQHR-NEPJUHHUSA-N -1 0 324.333 -0.005 20 0 DBADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)NC2(C(N)=O)CC2)c1 ZINC001607211972 1018980513 /nfs/dbraw/zinc/98/05/13/1018980513.db2.gz AKTQWDBZHRAPAB-UHFFFAOYSA-N -1 0 314.319 -0.310 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)ccn1 ZINC001607171990 1018980620 /nfs/dbraw/zinc/98/06/20/1018980620.db2.gz YERHVWMFSHDXAY-AWEZNQCLSA-N -1 0 323.305 -0.269 20 0 DBADRM COc1cc(NC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)nn1C ZINC001607170099 1018980716 /nfs/dbraw/zinc/98/07/16/1018980716.db2.gz BSWVSEHRIKRMNO-OCAPTIKFSA-N -1 0 310.310 -0.311 20 0 DBADRM COc1cc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)ccc1C(=O)[O-] ZINC001607174305 1018981591 /nfs/dbraw/zinc/98/15/91/1018981591.db2.gz SXIIIYYMGNAYLD-NQBHXWOUSA-N -1 0 323.301 -0.255 20 0 DBADRM COc1cccc(-c2nc(C(=O)NC[C@H](O)C(=O)[O-])no2)c1 ZINC001607303290 1018982927 /nfs/dbraw/zinc/98/29/27/1018982927.db2.gz PUAVIGHRKXXRER-VIFPVBQESA-N -1 0 307.262 -0.080 20 0 DBADRM COc1ccc(N2CCN([C@H](C)C(=O)NCC(=O)[O-])CC2)nc1 ZINC001607269845 1018984510 /nfs/dbraw/zinc/98/45/10/1018984510.db2.gz AOWKSWALCLJUIN-LLVKDONJSA-N -1 0 322.365 -0.199 20 0 DBADRM COc1ccc([C@@]2(C(=O)N3CC(O)(C(=O)[O-])C3)C[C@@H](O)C2)cc1 ZINC001607291797 1018984802 /nfs/dbraw/zinc/98/48/02/1018984802.db2.gz KXOJZLKACALPKJ-FUKZOUPISA-N -1 0 321.329 -0.254 20 0 DBADRM COc1ccccc1C[C@@H](CNC(=O)C1(O)COC1)C(=O)[O-] ZINC001607340759 1018987180 /nfs/dbraw/zinc/98/71/80/1018987180.db2.gz CUQHUTOERWBKLV-NSHDSACASA-N -1 0 309.318 -0.184 20 0 DBADRM COc1nc(C(=O)N[C@H](C)CNc2ccnc(C(=O)[O-])n2)co1 ZINC001607354982 1018988017 /nfs/dbraw/zinc/98/80/17/1018988017.db2.gz IQPDPNRWMXJIEH-SSDOTTSWSA-N -1 0 321.293 -0.176 20 0 DBADRM COc1ccnc(N(C)S(=O)(=O)c2n[nH]cc2C(=O)[O-])n1 ZINC001607351216 1018988315 /nfs/dbraw/zinc/98/83/15/1018988315.db2.gz WUVYZRVUGAZWRX-UHFFFAOYSA-N -1 0 313.295 -0.268 20 0 DBADRM COc1ccnc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001607350391 1018988443 /nfs/dbraw/zinc/98/84/43/1018988443.db2.gz ZOVRVPXHRPZZBS-MNOVXSKESA-N -1 0 319.317 -0.249 20 0 DBADRM COc1cccc([C@H](NCc2nc(N)nc(N)n2)C(=O)[O-])c1 ZINC001607331628 1018988746 /nfs/dbraw/zinc/98/87/46/1018988746.db2.gz CTVCZRIWOKMXJT-JTQLQIEISA-N -1 0 304.310 -0.040 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001607366036 1018990262 /nfs/dbraw/zinc/99/02/62/1018990262.db2.gz ARSOUYPHSLEWQQ-RKDXNWHRSA-N -1 0 320.367 -0.817 20 0 DBADRM CS(=O)(=O)C1(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCC1 ZINC001607365807 1018990284 /nfs/dbraw/zinc/99/02/84/1018990284.db2.gz VMTBBNWYPBGTSC-RKDXNWHRSA-N -1 0 305.352 -0.440 20 0 DBADRM C[S@](=N)(=O)N1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC001607363082 1018991124 /nfs/dbraw/zinc/99/11/24/1018991124.db2.gz HGCJLDLHPFNHRO-OAQYLSRUSA-N -1 0 315.355 -0.683 20 0 DBADRM COc1ncnc(OC)c1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001607361371 1018991277 /nfs/dbraw/zinc/99/12/77/1018991277.db2.gz FXGUIUFLMAQFRN-UHFFFAOYSA-N -1 0 311.294 -0.455 20 0 DBADRM C[S@@](=N)(=O)N1CCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC001607363208 1018991463 /nfs/dbraw/zinc/99/14/63/1018991463.db2.gz KQZCFNGWZWLDTM-FQEVSTJZSA-N -1 0 308.360 -0.994 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)NCC[C@H](O)C(=O)[O-])cs1 ZINC001607378725 1018999218 /nfs/dbraw/zinc/99/92/18/1018999218.db2.gz LKSGJJMFGCLHDV-ZETCQYMHSA-N -1 0 307.349 -0.283 20 0 DBADRM CS(=O)(=O)CC1(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)COC1 ZINC001607366435 1018991826 /nfs/dbraw/zinc/99/18/26/1018991826.db2.gz JHOIAMPXFXZEQN-SECBINFHSA-N -1 0 303.336 -0.663 20 0 DBADRM COc1ncc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001607359940 1018991927 /nfs/dbraw/zinc/99/19/27/1018991927.db2.gz VMPZRLGBAUGMDB-ZJUUUORDSA-N -1 0 320.305 -0.854 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001607370991 1018992650 /nfs/dbraw/zinc/99/26/50/1018992650.db2.gz ZDDDJHQPTOCAAO-DTWKUNHWSA-N -1 0 313.397 -0.406 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCCN(Cn2cc(C(=O)[O-])nn2)C1 ZINC001607368217 1018992674 /nfs/dbraw/zinc/99/26/74/1018992674.db2.gz ZBLUHMHTXRRYRM-SECBINFHSA-N -1 0 302.356 -0.167 20 0 DBADRM CS(=O)(=O)CC1(Cn2cnc(C(=O)[O-])n2)CCOCC1 ZINC001607368644 1018992806 /nfs/dbraw/zinc/99/28/06/1018992806.db2.gz AAALZCNSFPENHH-UHFFFAOYSA-N -1 0 303.340 -0.182 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(C(=O)C23CC(C(=O)[O-])(C2)C3)CCO1 ZINC001607369588 1018992822 /nfs/dbraw/zinc/99/28/22/1018992822.db2.gz ISGPNHDAFDVOEC-UHEGKEBESA-N -1 0 317.363 -0.487 20 0 DBADRM CS(=O)(=O)CCN1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001607370917 1018993684 /nfs/dbraw/zinc/99/36/84/1018993684.db2.gz WUJNGWGYUDRORA-JGVFFNPUSA-N -1 0 304.324 -0.842 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001607366724 1018994317 /nfs/dbraw/zinc/99/43/17/1018994317.db2.gz LVISUYKYGMMKMI-KXUCPTDWSA-N -1 0 322.383 -0.666 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1 ZINC001607367443 1018994374 /nfs/dbraw/zinc/99/43/74/1018994374.db2.gz YVRUBQTZOUXWRW-VHSXEESVSA-N -1 0 319.379 -0.050 20 0 DBADRM CS(=O)(=O)C1(CNS(=O)(=O)CCCC(=O)[O-])CCC1 ZINC001607367364 1018994661 /nfs/dbraw/zinc/99/46/61/1018994661.db2.gz WBAKXCPIVCJTFO-UHFFFAOYSA-N -1 0 313.397 -0.262 20 0 DBADRM CS(=O)(=O)NCCC(=O)NCCc1ccccc1C(=O)[O-] ZINC001607374038 1018995973 /nfs/dbraw/zinc/99/59/73/1018995973.db2.gz OIKUBOUEBIBYPY-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001607373339 1018996859 /nfs/dbraw/zinc/99/68/59/1018996859.db2.gz UADWQDFSMUGREE-PHIMTYICSA-N -1 0 318.395 -0.115 20 0 DBADRM CS(=O)(=O)NC[C@H]1COCCN1Cc1ccc(C(=O)[O-])[nH]1 ZINC001607373545 1018996946 /nfs/dbraw/zinc/99/69/46/1018996946.db2.gz ANOLSONGEKCVST-JTQLQIEISA-N -1 0 317.367 -0.537 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)Nc2[nH]cnc2C(=O)[O-])C1 ZINC001607371886 1018997017 /nfs/dbraw/zinc/99/70/17/1018997017.db2.gz JHGXYESAAVMELK-ZETCQYMHSA-N -1 0 316.339 -0.282 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001607371137 1018997159 /nfs/dbraw/zinc/99/71/59/1018997159.db2.gz ADPMVGXGISMTIJ-WDEREUQCSA-N -1 0 318.395 -0.115 20 0 DBADRM CS(=O)(=O)N=S1(=O)CCN(CCCCC(=O)[O-])CC1 ZINC001607372742 1018997796 /nfs/dbraw/zinc/99/77/96/1018997796.db2.gz PDOKXIZDOCQIQQ-UHFFFAOYSA-N -1 0 312.413 -0.016 20 0 DBADRM C[S@@](=O)Cc1cccc(C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001607384249 1018999401 /nfs/dbraw/zinc/99/94/01/1018999401.db2.gz PPXABQJFCATNCN-OAQYLSRUSA-N -1 0 312.347 -0.504 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C1CCOCC1)C(=O)[O-] ZINC001607377276 1019000131 /nfs/dbraw/zinc/00/01/31/1019000131.db2.gz FUBRDXSFGDZJRP-JOYOIKCWSA-N -1 0 305.352 -0.583 20 0 DBADRM C[S@@](=O)C1(CNC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CC1 ZINC001607384847 1019000488 /nfs/dbraw/zinc/00/04/88/1019000488.db2.gz LOHCTLOKWKWIEP-LADRHHBVSA-N -1 0 318.395 -0.235 20 0 DBADRM CS(=O)(=O)c1nnc(CN[C@]2(CC(=O)[O-])CCOC2)s1 ZINC001607383154 1019000690 /nfs/dbraw/zinc/00/06/90/1019000690.db2.gz LUDIQPPSWWFROW-JTQLQIEISA-N -1 0 321.380 -0.335 20 0 DBADRM CS[C@H](CO)[C@H](C)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001607390329 1019001122 /nfs/dbraw/zinc/00/11/22/1019001122.db2.gz SSZNZFFPTYVYFU-IONNQARKSA-N -1 0 317.371 -0.612 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)NC1(C(=O)[O-])CCSCC1 ZINC001607387548 1019001383 /nfs/dbraw/zinc/00/13/83/1019001383.db2.gz OCNJOUSUPNEKSW-UHFFFAOYSA-N -1 0 316.426 -0.101 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001607385421 1019001861 /nfs/dbraw/zinc/00/18/61/1019001861.db2.gz QULTVWGYWHRQMW-NRFANRHFSA-N -1 0 318.395 -0.416 20 0 DBADRM CSCCCCNC(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001607396486 1019002231 /nfs/dbraw/zinc/00/22/31/1019002231.db2.gz GKRCUTCWUBOXDT-NXEZZACHSA-N -1 0 318.395 -0.148 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)[O-] ZINC001607423778 1019005621 /nfs/dbraw/zinc/00/56/21/1019005621.db2.gz DULWKJBZULVBHN-CSMHCCOUSA-N -1 0 314.260 -0.800 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC001607425837 1019006909 /nfs/dbraw/zinc/00/69/09/1019006909.db2.gz ZTYCHVGDDMJKIB-XCBNKYQSSA-N -1 0 301.320 -0.346 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@H](C)N1Cc2ccccc2C1=O)C(=O)[O-] ZINC001607424666 1019007580 /nfs/dbraw/zinc/00/75/80/1019007580.db2.gz FLXSERDDVDFMKU-LNLATYFQSA-N -1 0 306.318 -0.019 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)CCCC1CCOCC1)C(=O)[O-] ZINC001607425571 1019007770 /nfs/dbraw/zinc/00/77/70/1019007770.db2.gz PBVIMONHTYNROR-KOLCDFICSA-N -1 0 309.384 -0.053 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)Cc1nnc(C2CCOCC2)[nH]1)C(=O)[O-] ZINC001607424791 1019007835 /nfs/dbraw/zinc/00/78/35/1019007835.db2.gz MGKZFDWUVJXTDA-HQJQHLMTSA-N -1 0 312.326 -0.809 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)Cc1nnc(-c2ccccc2)n1C)C(=O)[O-] ZINC001607424596 1019008366 /nfs/dbraw/zinc/00/83/66/1019008366.db2.gz BAJWHIYGXSDWLL-RNCFNFMXSA-N -1 0 318.333 -0.025 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H](c2cncn2C)N(C)C)C[C@@H](C(=O)[O-])O1 ZINC001607430445 1019008757 /nfs/dbraw/zinc/00/87/57/1019008757.db2.gz ZKOOWGDFDVNUEH-USWWRNFRSA-N -1 0 310.354 -0.277 20 0 DBADRM C[C@@H]1CN(C(=O)CNC(=O)c2ccncc2)C[C@@H](C(=O)[O-])O1 ZINC001607430976 1019008866 /nfs/dbraw/zinc/00/88/66/1019008866.db2.gz QRVIPNWQQTWZFX-KOLCDFICSA-N -1 0 307.306 -0.488 20 0 DBADRM C[C@@H]1CN(CN2C(=O)c3cccc(N)c3C2=O)C[C@@H](C(=O)[O-])O1 ZINC001607438042 1019008925 /nfs/dbraw/zinc/00/89/25/1019008925.db2.gz RUAODFMFDHZRCV-KCJUWKMLSA-N -1 0 319.317 -0.004 20 0 DBADRM C[C@@H]1CN(C(=O)NCCN2CCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001607432569 1019009090 /nfs/dbraw/zinc/00/90/90/1019009090.db2.gz KBRQXUBNPJPUIW-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@@H]1CN(C(=O)c2cncc(-n3ccnn3)c2)C[C@@H](C(=O)[O-])O1 ZINC001607436196 1019009299 /nfs/dbraw/zinc/00/92/99/1019009299.db2.gz DELJFEOMWHPNEQ-SKDRFNHKSA-N -1 0 317.305 -0.024 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]3C2)C[C@@H](C(=O)[O-])O1 ZINC001607429013 1019009396 /nfs/dbraw/zinc/00/93/96/1019009396.db2.gz WICKIGZPFBHTMZ-WYUUTHIRSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](C)(O)CC2)C[C@H]1C(=O)[O-] ZINC001607429148 1019009637 /nfs/dbraw/zinc/00/96/37/1019009637.db2.gz XTGNUPIEJFAUIZ-HFAKWTLXSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CCn2ccnc2)C[C@@H](C(=O)[O-])O1 ZINC001607438675 1019009721 /nfs/dbraw/zinc/00/97/21/1019009721.db2.gz HRLXOBXEUDPFHR-ZJUUUORDSA-N -1 0 303.340 -0.613 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CCCS2(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC001607432894 1019010287 /nfs/dbraw/zinc/01/02/87/1019010287.db2.gz LKULOQVRCNVCSQ-BBBLOLIVSA-N -1 0 320.367 -0.553 20 0 DBADRM C[C@@H]1CN(C(=O)NCCN2C(=O)CNC2=O)C[C@H]1CC(=O)[O-] ZINC001607432612 1019010855 /nfs/dbraw/zinc/01/08/55/1019010855.db2.gz NQTMSNQNNUHMSL-RKDXNWHRSA-N -1 0 312.326 -0.710 20 0 DBADRM C[C@@H]1CN(C(=O)Nc2cccc(C(N)=O)n2)C[C@@H](C(=O)[O-])O1 ZINC001607434146 1019011093 /nfs/dbraw/zinc/01/10/93/1019011093.db2.gz CKLMMNXQTJTKKQ-APPZFPTMSA-N -1 0 308.294 -0.114 20 0 DBADRM C[C@@H]1CN(c2cc[nH+]c(C(=O)[O-])n2)C[C@H]1NC(=O)c1nnc[n-]1 ZINC001607439309 1019011350 /nfs/dbraw/zinc/01/13/50/1019011350.db2.gz FQVATXSZRJANDS-HTQZYQBOSA-N -1 0 317.309 -0.452 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCC(C)(C)CS(N)(=O)=O)O[C@H]1C(=O)[O-] ZINC001607442850 1019011895 /nfs/dbraw/zinc/01/18/95/1019011895.db2.gz MZUNEPITHMENIO-IWSPIJDZSA-N -1 0 322.383 -0.705 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H](CO)C[C@@H]2CCCO2)O[C@H]1C(=O)[O-] ZINC001607441940 1019012364 /nfs/dbraw/zinc/01/23/64/1019012364.db2.gz ZIDDDHCHGLBPEV-RMPHRYRLSA-N -1 0 301.339 -0.089 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN(c3ncc[nH]3)CC2)O[C@H]1C(=O)[O-] ZINC001607440829 1019012428 /nfs/dbraw/zinc/01/24/28/1019012428.db2.gz ADNLVMYNXBDGRW-GMTAPVOTSA-N -1 0 308.338 -0.064 20 0 DBADRM C[C@]1(CO)CN(C(=O)c2cnc(C(=O)[O-])cn2)C[C@@]1(C)CO ZINC001607447611 1019013538 /nfs/dbraw/zinc/01/35/38/1019013538.db2.gz FQTPAYATKPWBAV-OKILXGFUSA-N -1 0 309.322 -0.372 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cncc(Cl)n1)C(=O)[O-] ZINC001607460222 1019018022 /nfs/dbraw/zinc/01/80/22/1019018022.db2.gz ZSOKHDYVAUNDSB-WDSKDSINSA-N -1 0 300.702 -0.162 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCc2cc(=O)[nH]c(=S)[nH]2)O[C@H]1C(=O)[O-] ZINC001607442472 1019013938 /nfs/dbraw/zinc/01/39/38/1019013938.db2.gz CEQXLVPEDDHOFF-SLBFFKMLSA-N -1 0 313.335 -0.035 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1CO[C@H](C2CC2)C1)C(=O)[O-] ZINC001607458403 1019014663 /nfs/dbraw/zinc/01/46/63/1019014663.db2.gz GBHSWOXBPAQAOK-UUTMEEIUSA-N -1 0 313.354 -0.169 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1cncn1C ZINC001607454146 1019015422 /nfs/dbraw/zinc/01/54/22/1019015422.db2.gz SEIOJIRAURHQRJ-MRVPVSSYSA-N -1 0 304.310 -0.439 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@](C)(O)C1CC1)C(=O)[O-] ZINC001607458355 1019015634 /nfs/dbraw/zinc/01/56/34/1019015634.db2.gz FINFKPMIDHSEGD-UPFKWVMWSA-N -1 0 301.343 -0.576 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(N(C)C)nc1)C(=O)[O-] ZINC001607458338 1019016435 /nfs/dbraw/zinc/01/64/35/1019016435.db2.gz HSQCIYZNZZEXRR-IUCAKERBSA-N -1 0 308.338 -0.145 20 0 DBADRM C[C@@H]1[C@H](NC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CCS1(=O)=O ZINC001607448274 1019016630 /nfs/dbraw/zinc/01/66/30/1019016630.db2.gz DAKKOYSTEZUZNS-SPFKKGSWSA-N -1 0 302.352 -0.466 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@@]1(C)CCCO1)C(=O)[O-] ZINC001607457971 1019016668 /nfs/dbraw/zinc/01/66/68/1019016668.db2.gz AMKCSXBYHZSIJD-MWODSPESSA-N -1 0 301.343 -0.168 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](O)[C@H](F)C2)CC[C@H]1C(=O)[O-] ZINC001607467210 1019017590 /nfs/dbraw/zinc/01/75/90/1019017590.db2.gz RCZKAEOYZDGYPV-LNFKQOIKSA-N -1 0 316.329 -0.513 20 0 DBADRM CN(CCCN(C)C(=O)Cc1cc[nH]n1)Cc1n[nH]c(=O)[n-]1 ZINC001502168141 1019017895 /nfs/dbraw/zinc/01/78/95/1019017895.db2.gz KNRLIXMZKDCWHH-UHFFFAOYSA-N -1 0 307.358 -0.244 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1 ZINC001607462241 1019018142 /nfs/dbraw/zinc/01/81/42/1019018142.db2.gz XLMUUJOZZSFAOX-WRWGMCAJSA-N -1 0 300.355 -0.610 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=S)NC[C@H]1CCCCO1)C(=O)[O-] ZINC001607460011 1019018615 /nfs/dbraw/zinc/01/86/15/1019018615.db2.gz OOMHTABFJBHIDN-LPEHRKFASA-N -1 0 317.411 -0.003 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCC12OCCO2)C(=O)[O-] ZINC001607459318 1019018767 /nfs/dbraw/zinc/01/87/67/1019018767.db2.gz YWXYAMPLIOFDGZ-GUBZILKMSA-N -1 0 314.338 -0.376 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@]2(C)CO)C[C@]1(C)C(=O)[O-] ZINC001607466400 1019019439 /nfs/dbraw/zinc/01/94/39/1019019439.db2.gz GGMNQEPRPJNXCL-VQISRLSMSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC2CCSCC2)C[C@@H](C(=O)[O-])O1 ZINC001607468359 1019020084 /nfs/dbraw/zinc/02/00/84/1019020084.db2.gz VOCTWCDJRILKQC-WPRPVWTQSA-N -1 0 316.379 -0.301 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC=CO2)C[C@@H](C(=O)[O-])O1 ZINC001607467794 1019020932 /nfs/dbraw/zinc/02/09/32/1019020932.db2.gz KAGNOTCZFQWGFT-AXFHLTTASA-N -1 0 312.322 -0.504 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cnns2)C[C@@H](C(=O)[O-])O1 ZINC001607467368 1019021337 /nfs/dbraw/zinc/02/13/37/1019021337.db2.gz VKJLBTRZUTYBGT-WDSKDSINSA-N -1 0 300.296 -0.823 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2nccn2C)C[C@]1(C)C(=O)[O-] ZINC001607467315 1019021374 /nfs/dbraw/zinc/02/13/74/1019021374.db2.gz QQQAQIXDAQSPGN-XPTSAGLGSA-N -1 0 308.338 -0.395 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001607483788 1019022145 /nfs/dbraw/zinc/02/21/45/1019022145.db2.gz JMJGPXDFXKZSOS-ZDUSSCGKSA-N -1 0 311.294 -0.654 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CC2CCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001607478050 1019022667 /nfs/dbraw/zinc/02/26/67/1019022667.db2.gz DMYVDFPONMPNAT-ONGXEEELSA-N -1 0 307.368 -0.083 20 0 DBADRM Cc1[nH]c(C(=O)CN2C[C@H](O)C[C@H]2C(N)=O)c(C)c1C(=O)[O-] ZINC001607487084 1019022836 /nfs/dbraw/zinc/02/28/36/1019022836.db2.gz PGEBFXBXICAVQB-BDAKNGLRSA-N -1 0 309.322 -0.567 20 0 DBADRM C[C@H]1CN(c2nnc([C@@H]3CC(=O)N(C)C3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001607481093 1019023015 /nfs/dbraw/zinc/02/30/15/1019023015.db2.gz PLUXALMXGGPQNF-AEJSXWLSSA-N -1 0 323.353 -0.561 20 0 DBADRM C[C@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001607479814 1019023111 /nfs/dbraw/zinc/02/31/11/1019023111.db2.gz GIEHIZHWLBVKDH-WHOHXGKFSA-N -1 0 312.366 -0.025 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CC[C@@H](S(N)(=O)=O)C1 ZINC001607493866 1019023222 /nfs/dbraw/zinc/02/32/22/1019023222.db2.gz FSVVNTYWGRWXMZ-MRVPVSSYSA-N -1 0 315.351 -0.433 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607483710 1019023608 /nfs/dbraw/zinc/02/36/08/1019023608.db2.gz GUDGWGGUNFJCRS-IUCAKERBSA-N -1 0 322.321 -0.667 20 0 DBADRM Cc1[nH]c(C(=O)NC[C@@H](O)Cn2ccnn2)c(C)c1C(=O)[O-] ZINC001607491208 1019023733 /nfs/dbraw/zinc/02/37/33/1019023733.db2.gz RUFRSMMHXHLKAC-SECBINFHSA-N -1 0 307.310 -0.288 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001607479103 1019023906 /nfs/dbraw/zinc/02/39/06/1019023906.db2.gz OBVQXPNULVPSAA-UWVGGRQHSA-N -1 0 308.356 -0.873 20 0 DBADRM C[C@H]1COC(C)(C)CN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001607479443 1019023923 /nfs/dbraw/zinc/02/39/23/1019023923.db2.gz LAIWMFJKVHXWAI-VHSXEESVSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC[C@](C)(C(=O)[O-])C2)C1 ZINC001607479979 1019024324 /nfs/dbraw/zinc/02/43/24/1019024324.db2.gz OLFFDUOEFOBWPY-RWSFTLGLSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CN(c2nnc([C@@]3(O)CCOC3)n2C)C[C@]1(C)C(=O)[O-] ZINC001607481223 1019024342 /nfs/dbraw/zinc/02/43/42/1019024342.db2.gz UBKBENMHPYOGJO-QCZZGDTMSA-N -1 0 310.354 -0.030 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001607499778 1019024992 /nfs/dbraw/zinc/02/49/92/1019024992.db2.gz RRIHNPZORURZOH-JOYOIKCWSA-N -1 0 315.351 -0.735 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607500161 1019025096 /nfs/dbraw/zinc/02/50/96/1019025096.db2.gz MYIWWRQPJBHMNM-KYXWUPHJSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1c(C(=O)NC[C@H](O)CC(=O)[O-])nnn1Cc1ccncc1 ZINC001607508228 1019025348 /nfs/dbraw/zinc/02/53/48/1019025348.db2.gz MRUWKFQALLXQLH-LLVKDONJSA-N -1 0 319.321 -0.405 20 0 DBADRM Cc1c(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)ccn1C ZINC001607504398 1019026144 /nfs/dbraw/zinc/02/61/44/1019026144.db2.gz MCMZEDDHKGJVBT-NEPJUHHUSA-N -1 0 305.334 -0.005 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)N2C[C@H](O)[C@@H](CO)C2)n1C ZINC001607515481 1019026332 /nfs/dbraw/zinc/02/63/32/1019026332.db2.gz YNXFPFRAQBJLGE-SKDRFNHKSA-N -1 0 311.338 -0.474 20 0 DBADRM Cc1c(C(=O)NCC2(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cnn1C ZINC001607508176 1019026431 /nfs/dbraw/zinc/02/64/31/1019026431.db2.gz JISJFXSIOFRXCZ-UWVGGRQHSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1c(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cnn1C ZINC001607504209 1019026752 /nfs/dbraw/zinc/02/67/52/1019026752.db2.gz JVVDTPACKQFBOS-UWVGGRQHSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)[C@H](C)N2CCNCC2=O)n1C ZINC001607513138 1019026773 /nfs/dbraw/zinc/02/67/73/1019026773.db2.gz MXKFPWRJKDNFRT-JTQLQIEISA-N -1 0 322.365 -0.532 20 0 DBADRM Cc1c(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])nnn1-c1ccn(C)n1 ZINC001607509752 1019027169 /nfs/dbraw/zinc/02/71/69/1019027169.db2.gz ISGRYJHUYPGTFW-GZMMTYOYSA-N -1 0 320.309 -0.719 20 0 DBADRM Cc1c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nnn1C ZINC001607509755 1019027381 /nfs/dbraw/zinc/02/73/81/1019027381.db2.gz IULSXJBUPQQWFX-RGOKHQFPSA-N -1 0 321.337 -0.779 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCNC(=O)CC2)cccc1C(=O)[O-] ZINC001607535839 1019028182 /nfs/dbraw/zinc/02/81/82/1019028182.db2.gz YQDGJCUKBBCFOV-UHFFFAOYSA-N -1 0 319.317 -0.020 20 0 DBADRM Cc1c(NC(=O)C(=O)N(CCO)C2CC2)cnn1CC(=O)[O-] ZINC001607535504 1019028507 /nfs/dbraw/zinc/02/85/07/1019028507.db2.gz PTZAQQNSDKJUPH-UHFFFAOYSA-N -1 0 310.310 -0.802 20 0 DBADRM Cc1c(C(=O)OCCCC(=O)C(=O)[O-])nnn1-c1ccn(C)n1 ZINC001607526709 1019029151 /nfs/dbraw/zinc/02/91/51/1019029151.db2.gz VMJNMRBLEKGBAH-UHFFFAOYSA-N -1 0 321.293 -0.100 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@H](O)[C@H](C)C2)cnn1CC(=O)[O-] ZINC001607535796 1019029306 /nfs/dbraw/zinc/02/93/06/1019029306.db2.gz XJKIZHUFZBNYRV-KCJUWKMLSA-N -1 0 324.337 -0.556 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001607555810 1019029393 /nfs/dbraw/zinc/02/93/93/1019029393.db2.gz SLEHHMCVQVNHGE-SECBINFHSA-N -1 0 309.322 -0.333 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cnn1C ZINC001607535114 1019029983 /nfs/dbraw/zinc/02/99/83/1019029983.db2.gz KYTMSUJARNSAAX-NXEZZACHSA-N -1 0 310.310 -0.896 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cnc1F ZINC001607572138 1019030425 /nfs/dbraw/zinc/03/04/25/1019030425.db2.gz DEANBTLCYCTUAM-VIFPVBQESA-N -1 0 316.310 -0.147 20 0 DBADRM Cc1c[nH]nc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607556594 1019030564 /nfs/dbraw/zinc/03/05/64/1019030564.db2.gz QRGVSXQXSLNDHA-QCLAVDOMSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1cc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])ncc1C(N)=O ZINC001607578756 1019031112 /nfs/dbraw/zinc/03/11/12/1019031112.db2.gz WBCQXHVRKONWLV-LLVKDONJSA-N -1 0 317.305 -0.431 20 0 DBADRM Cc1cc(C(=O)NCC(=O)NCC(=O)[O-])nn1C1CCOCC1 ZINC001607577169 1019031150 /nfs/dbraw/zinc/03/11/50/1019031150.db2.gz PRLRQLPGPPTVRV-UHFFFAOYSA-N -1 0 324.337 -0.526 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n(C)n1 ZINC001607581080 1019031229 /nfs/dbraw/zinc/03/12/29/1019031229.db2.gz AEUFCDDWJFKCRD-YTWAJWBKSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c(C)nn1 ZINC001607569234 1019031270 /nfs/dbraw/zinc/03/12/70/1019031270.db2.gz DYAWIMSXANXYID-NEPJUHHUSA-N -1 0 318.333 -0.245 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n(C)n1 ZINC001607581072 1019031707 /nfs/dbraw/zinc/03/17/07/1019031707.db2.gz AEUFCDDWJFKCRD-GWOFURMSSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1cc(=O)c(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cn1C ZINC001607560275 1019032783 /nfs/dbraw/zinc/03/27/83/1019032783.db2.gz IQXBBUCMIKZIKA-IUCAKERBSA-N -1 0 309.322 -0.599 20 0 DBADRM Cc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c(C)nn1 ZINC001607569235 1019032831 /nfs/dbraw/zinc/03/28/31/1019032831.db2.gz DYAWIMSXANXYID-NWDGAFQWSA-N -1 0 318.333 -0.245 20 0 DBADRM Cc1c[nH]nc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607556596 1019032887 /nfs/dbraw/zinc/03/28/87/1019032887.db2.gz QRGVSXQXSLNDHA-UTINFBMNSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cnn1 ZINC001607576745 1019032894 /nfs/dbraw/zinc/03/28/94/1019032894.db2.gz JDINUOQBDMCPEO-MNOVXSKESA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1cc(C)cc(C(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC001607623563 1019033329 /nfs/dbraw/zinc/03/33/29/1019033329.db2.gz GJFDFKDXMPFINE-MFKMUULPSA-N -1 0 308.334 -0.017 20 0 DBADRM Cc1cc(C2(C(=O)N3CC(=O)N(C)C[C@@H]3C(=O)[O-])CC2)on1 ZINC001607631988 1019033632 /nfs/dbraw/zinc/03/36/32/1019033632.db2.gz CYBLLCKOXNFQPZ-SECBINFHSA-N -1 0 307.306 -0.232 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NCc1nnn(C)n1 ZINC001607595011 1019033913 /nfs/dbraw/zinc/03/39/13/1019033913.db2.gz HTBMMIBBOWGELR-UHFFFAOYSA-N -1 0 318.293 -0.528 20 0 DBADRM Cc1cc(CNC(=O)[C@@H](C)NS(C)(=O)=O)oc1C(=O)[O-] ZINC001607644198 1019034379 /nfs/dbraw/zinc/03/43/79/1019034379.db2.gz XERWISQPOIJYLP-SSDOTTSWSA-N -1 0 304.324 -0.160 20 0 DBADRM Cc1cc(C(=O)[O-])c(NC(=O)C(=O)N[C@@H]2COC[C@H]2O)s1 ZINC001607586076 1019034133 /nfs/dbraw/zinc/03/41/33/1019034133.db2.gz JGKALEPBDUVLQW-HTQZYQBOSA-N -1 0 314.319 -0.431 20 0 DBADRM Cc1cc(C)n2nc(C(=O)NC[C@]3(C(=O)[O-])CCOC3)nc2n1 ZINC001607632096 1019034226 /nfs/dbraw/zinc/03/42/26/1019034226.db2.gz UIUNTUZGMDSFOJ-CQSZACIVSA-N -1 0 319.321 -0.038 20 0 DBADRM Cc1cc(C=O)c(O)c(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])c1 ZINC001607633971 1019034410 /nfs/dbraw/zinc/03/44/10/1019034410.db2.gz VDXXCXSFWAAHMX-LLVKDONJSA-N -1 0 318.289 -0.012 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)ncn1 ZINC001607641475 1019034695 /nfs/dbraw/zinc/03/46/95/1019034695.db2.gz HSNINLPSIFHKKE-JTQLQIEISA-N -1 0 306.322 -0.276 20 0 DBADRM Cc1cc(CCNC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)nn1C ZINC001607635678 1019034942 /nfs/dbraw/zinc/03/49/42/1019034942.db2.gz AODPDOPRYGFJOJ-BXKDBHETSA-N -1 0 322.365 -0.434 20 0 DBADRM Cc1cc(C=O)c(O)c(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC001607633701 1019034976 /nfs/dbraw/zinc/03/49/76/1019034976.db2.gz SKIHMWIZFKVANO-NSHDSACASA-N -1 0 320.301 -0.072 20 0 DBADRM Cc1cc(CNC(=O)C2CN(S(C)(=O)=O)C2)oc1C(=O)[O-] ZINC001607642922 1019035095 /nfs/dbraw/zinc/03/50/95/1019035095.db2.gz FKVOLCPCLHJJRC-UHFFFAOYSA-N -1 0 316.335 -0.206 20 0 DBADRM Cc1cc([C@@H](NCC(=O)N2CCNC(=O)C2)C(=O)[O-])ccc1F ZINC001607612102 1019035205 /nfs/dbraw/zinc/03/52/05/1019035205.db2.gz LBGODPDTKIYWMD-CQSZACIVSA-N -1 0 323.324 -0.192 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2CCC3(CC2)NC(=O)NC3=O)n1 ZINC001607599722 1019035431 /nfs/dbraw/zinc/03/54/31/1019035431.db2.gz JXEZUVXUQJVYFH-UHFFFAOYSA-N -1 0 305.294 -0.338 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCOCC(=O)[O-])cc(C(N)=O)c1 ZINC001607673108 1019036161 /nfs/dbraw/zinc/03/61/61/1019036161.db2.gz IBQUWQPNJOKMKL-UHFFFAOYSA-N -1 0 323.305 -0.750 20 0 DBADRM Cc1cc(NC[C@@H](C)S(C)(=O)=O)n2nc(C(=O)[O-])nc2n1 ZINC001607694488 1019037390 /nfs/dbraw/zinc/03/73/90/1019037390.db2.gz UEZMRXBYSLINRT-SSDOTTSWSA-N -1 0 313.339 -0.024 20 0 DBADRM Cc1cc(N(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n2ncnc2n1 ZINC001607669268 1019037702 /nfs/dbraw/zinc/03/77/02/1019037702.db2.gz KHDQRTMCNNDHLJ-VHSXEESVSA-N -1 0 318.337 -0.294 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCc2cn(C)nn2)c(C(=O)[O-])[nH]1 ZINC001607674136 1019038079 /nfs/dbraw/zinc/03/80/79/1019038079.db2.gz XMLUATKPCRHVLK-UHFFFAOYSA-N -1 0 306.282 -0.595 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001607698569 1019038251 /nfs/dbraw/zinc/03/82/51/1019038251.db2.gz ARULDUSQXDFXPV-NOZJJQNGSA-N -1 0 310.306 -0.532 20 0 DBADRM Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001607727701 1019039515 /nfs/dbraw/zinc/03/95/15/1019039515.db2.gz MMYSRCGXRDVQBY-VHSXEESVSA-N -1 0 322.317 -0.388 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1C ZINC001607730965 1019040823 /nfs/dbraw/zinc/04/08/23/1019040823.db2.gz RDDXPZYPSRPUEP-MFKMUULPSA-N -1 0 308.334 -0.017 20 0 DBADRM Cc1cc[nH]c1C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607713668 1019040881 /nfs/dbraw/zinc/04/08/81/1019040881.db2.gz LGEXVVCSAISZFA-VHSXEESVSA-N -1 0 321.333 -0.653 20 0 DBADRM Cc1cc(S(=O)(=O)N(C)CC(=O)N(C)C)oc1C(=O)[O-] ZINC001607703136 1019041150 /nfs/dbraw/zinc/04/11/50/1019041150.db2.gz DFWSPQCPUAJWAK-UHFFFAOYSA-N -1 0 304.324 -0.005 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cn1 ZINC001607781147 1019043257 /nfs/dbraw/zinc/04/32/57/1019043257.db2.gz KCQQQCWBGKDJLQ-PWSUYJOCSA-N -1 0 321.333 -0.293 20 0 DBADRM Cc1cccc(CNC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001607850954 1019043451 /nfs/dbraw/zinc/04/34/51/1019043451.db2.gz UXYATFSXQUVKRG-CMPLNLGQSA-N -1 0 321.333 -0.700 20 0 DBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)N1CC(O)(C(=O)[O-])C1)C2=O ZINC001607829508 1019043491 /nfs/dbraw/zinc/04/34/91/1019043491.db2.gz INEBWXJNXPYMPP-UHFFFAOYSA-N -1 0 318.285 -0.751 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N(CCO)CCO)cc1C(=O)[O-] ZINC001607795385 1019043857 /nfs/dbraw/zinc/04/38/57/1019043857.db2.gz ZVFCELNYOGITTM-UHFFFAOYSA-N -1 0 310.306 -0.555 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC1(CC(=O)[O-])CC1 ZINC001607891628 1019044354 /nfs/dbraw/zinc/04/43/54/1019044354.db2.gz WKKKJZNTBBDUFU-UHFFFAOYSA-N -1 0 307.306 -0.244 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(=O)c1 ZINC001607892378 1019045366 /nfs/dbraw/zinc/04/53/66/1019045366.db2.gz XQJZUGCHQWHBEV-IAQYHMDHSA-N -1 0 324.333 -0.780 20 0 DBADRM Cc1ccn2ncc(C(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)c2n1 ZINC001607892486 1019045847 /nfs/dbraw/zinc/04/58/47/1019045847.db2.gz BERMKYLJOCCPHI-ZJUUUORDSA-N -1 0 304.306 -0.055 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])c(=O)c1 ZINC001607891097 1019045925 /nfs/dbraw/zinc/04/59/25/1019045925.db2.gz BPEBHBATLAEPAT-UEKVPHQBSA-N -1 0 308.334 -0.255 20 0 DBADRM Cc1cnc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001607902715 1019046121 /nfs/dbraw/zinc/04/61/21/1019046121.db2.gz BDQITGBEAQYJSF-HNNXBMFYSA-N -1 0 320.349 -0.213 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001607890858 1019046461 /nfs/dbraw/zinc/04/64/61/1019046461.db2.gz KRINRJNHFROOPA-NXEZZACHSA-N -1 0 321.333 -0.046 20 0 DBADRM Cc1cnc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001607902716 1019046917 /nfs/dbraw/zinc/04/69/17/1019046917.db2.gz BDQITGBEAQYJSF-OAHLLOKOSA-N -1 0 320.349 -0.213 20 0 DBADRM Cc1ccnn1CC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001607898610 1019046954 /nfs/dbraw/zinc/04/69/54/1019046954.db2.gz SHFZCNFPARWFFF-NWDGAFQWSA-N -1 0 320.349 -0.417 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001607916904 1019047256 /nfs/dbraw/zinc/04/72/56/1019047256.db2.gz LSAQOVFSWAPESM-JTQLQIEISA-N -1 0 316.383 -0.635 20 0 DBADRM Cc1cnc2c(C(=O)N3CC(=O)N(C)C[C@@H]3C(=O)[O-])cnn2c1 ZINC001607910415 1019047338 /nfs/dbraw/zinc/04/73/38/1019047338.db2.gz OTCLOYKUZLOKQK-SNVBAGLBSA-N -1 0 317.305 -0.595 20 0 DBADRM Cc1cncn1CC(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607915077 1019047417 /nfs/dbraw/zinc/04/74/17/1019047417.db2.gz NRWDAASZGGSMKX-NWDGAFQWSA-N -1 0 320.349 -0.419 20 0 DBADRM Cc1cnc(Cn2cnc3c(cnn3CC(=O)[O-])c2=O)nc1 ZINC001607907389 1019048756 /nfs/dbraw/zinc/04/87/56/1019048756.db2.gz NLQDMOJULQKDBJ-UHFFFAOYSA-N -1 0 300.278 -0.176 20 0 DBADRM Cc1cnc2c(C(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)cnn2c1 ZINC001607909036 1019049496 /nfs/dbraw/zinc/04/94/96/1019049496.db2.gz DJDYYLSRLFKMNF-UWVGGRQHSA-N -1 0 304.306 -0.055 20 0 DBADRM Cc1cncc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c1 ZINC001607911927 1019049537 /nfs/dbraw/zinc/04/95/37/1019049537.db2.gz YBBKFCLZDXSXTI-QWRGUYRKSA-N -1 0 300.336 -0.011 20 0 DBADRM Cc1cnc(C)c(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001607906101 1019050112 /nfs/dbraw/zinc/05/01/12/1019050112.db2.gz UENQAWRTYNBCKV-QWRGUYRKSA-N -1 0 321.333 -0.069 20 0 DBADRM Cc1cnoc1C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607918163 1019050572 /nfs/dbraw/zinc/05/05/72/1019050572.db2.gz KFIDDQZLFRLBNW-UWVGGRQHSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1csc2nc(CC(=O)OCC(=O)NCC(=O)[O-])cn12 ZINC001607933879 1019051335 /nfs/dbraw/zinc/05/13/35/1019051335.db2.gz LGVGJCFFRVDSMC-UHFFFAOYSA-N -1 0 311.319 -0.009 20 0 DBADRM Cc1coc(C(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])c1 ZINC001607918460 1019051984 /nfs/dbraw/zinc/05/19/84/1019051984.db2.gz TVPXKPFXIMZDQS-IUCAKERBSA-N -1 0 321.289 -0.192 20 0 DBADRM Cc1[nH]nc(Cl)c1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001607936824 1019052142 /nfs/dbraw/zinc/05/21/42/1019052142.db2.gz NBTBVUAQRLDXRN-LURJTMIESA-N -1 0 300.702 -0.261 20 0 DBADRM Cc1csc2nc(CC(=O)NCC(=O)NCC(=O)[O-])cn12 ZINC001607933646 1019052246 /nfs/dbraw/zinc/05/22/46/1019052246.db2.gz HMXHQGAMBHIDCU-UHFFFAOYSA-N -1 0 310.335 -0.436 20 0 DBADRM Cc1conc1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001607922556 1019052732 /nfs/dbraw/zinc/05/27/32/1019052732.db2.gz HSFCMKHYYSHGKS-VHSXEESVSA-N -1 0 307.306 -0.012 20 0 DBADRM Cc1nc(CS(=O)(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])no1 ZINC001607960326 1019054282 /nfs/dbraw/zinc/05/42/82/1019054282.db2.gz QSWHDCHRYLLZQM-RKDXNWHRSA-N -1 0 319.339 -0.180 20 0 DBADRM Cc1n[nH]nc1C(=O)N(C)C[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001607939525 1019055658 /nfs/dbraw/zinc/05/56/58/1019055658.db2.gz RAVOTJYXHGLMGO-ZETCQYMHSA-N -1 0 319.325 -0.404 20 0 DBADRM Cc1ncc(NC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1C(N)=O ZINC001607982624 1019057182 /nfs/dbraw/zinc/05/71/82/1019057182.db2.gz HZHNOBYZFPVLEV-VHSXEESVSA-N -1 0 308.294 -0.147 20 0 DBADRM Cc1nc2c(cnn2C)c(NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001607966335 1019057439 /nfs/dbraw/zinc/05/74/39/1019057439.db2.gz VEFCWGLONJOWRW-DTWKUNHWSA-N -1 0 318.337 -0.079 20 0 DBADRM Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@H](O)CC(=O)[O-] ZINC001607973708 1019057548 /nfs/dbraw/zinc/05/75/48/1019057548.db2.gz WOWXODCDYBBDKL-SNVBAGLBSA-N -1 0 319.317 -0.343 20 0 DBADRM Cc1ncc(NC(=O)N(C)CCS(N)(=O)=O)cc1C(=O)[O-] ZINC001607980860 1019058061 /nfs/dbraw/zinc/05/80/61/1019058061.db2.gz LYCYSLFRWJOSRI-UHFFFAOYSA-N -1 0 316.339 -0.160 20 0 DBADRM Cc1ncc(C(=O)N[C@H](C)CNc2ccnc(C(=O)[O-])n2)n1C ZINC001607976162 1019058867 /nfs/dbraw/zinc/05/88/67/1019058867.db2.gz WDEWLMOWEAOFEB-MRVPVSSYSA-N -1 0 318.337 -0.131 20 0 DBADRM Cc1ncc(NC(=O)[C@H](C)NS(C)(=O)=O)cc1C(=O)[O-] ZINC001607983115 1019059326 /nfs/dbraw/zinc/05/93/26/1019059326.db2.gz NAMTVATYPXFGGB-ZETCQYMHSA-N -1 0 301.324 -0.036 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@H](F)C(=O)[O-] ZINC001607977006 1019059481 /nfs/dbraw/zinc/05/94/81/1019059481.db2.gz WQMKJBGMZUUOTF-QMMMGPOBSA-N -1 0 310.289 -0.595 20 0 DBADRM Cc1nccn1CC(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607990498 1019059994 /nfs/dbraw/zinc/05/99/94/1019059994.db2.gz KJYQVGADCMCFQE-NWDGAFQWSA-N -1 0 320.349 -0.513 20 0 DBADRM Cc1nccn1CC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607990502 1019061158 /nfs/dbraw/zinc/06/11/58/1019061158.db2.gz KJYQVGADCMCFQE-VXGBXAGGSA-N -1 0 320.349 -0.513 20 0 DBADRM Cc1nccnc1N1CCN(CN2C[C@@H](C(=O)[O-])OC2=O)CC1 ZINC001607990405 1019061213 /nfs/dbraw/zinc/06/12/13/1019061213.db2.gz ILESPWQHRVKGSN-NSHDSACASA-N -1 0 321.337 -0.230 20 0 DBADRM Cc1nccn1CCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001607989661 1019061570 /nfs/dbraw/zinc/06/15/70/1019061570.db2.gz PKIJHMMLICUUKN-NSHDSACASA-N -1 0 308.338 -0.369 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)NC[C@@H](C)C(=O)[O-] ZINC001607984896 1019061865 /nfs/dbraw/zinc/06/18/65/1019061865.db2.gz ODFBQKDWFIKASQ-ZCFIWIBFSA-N -1 0 301.324 -0.512 20 0 DBADRM Cc1nccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001607987982 1019062493 /nfs/dbraw/zinc/06/24/93/1019062493.db2.gz VSGBQFDEESOHLD-MNOVXSKESA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1nn(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c(=O)n1C ZINC001608012307 1019062948 /nfs/dbraw/zinc/06/29/48/1019062948.db2.gz ZYYQBWLRBRTEKC-JTQLQIEISA-N -1 0 321.341 -0.525 20 0 DBADRM Cc1nn(C)c(NC(=O)C(=O)NCCSCC(=O)[O-])c1C ZINC001608001634 1019062995 /nfs/dbraw/zinc/06/29/95/1019062995.db2.gz CFVQNUBAUGXHSF-UHFFFAOYSA-N -1 0 314.367 -0.091 20 0 DBADRM Cc1nn(CC(=O)N[C@@H](Cc2ccccc2O)C(=O)[O-])c(=O)o1 ZINC001608003649 1019063052 /nfs/dbraw/zinc/06/30/52/1019063052.db2.gz KDLIIOUWDMXCDX-JTQLQIEISA-N -1 0 321.289 -0.338 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001607999619 1019063554 /nfs/dbraw/zinc/06/35/54/1019063554.db2.gz RGBGVXNCTLZDBH-SNVBAGLBSA-N -1 0 324.337 -0.830 20 0 DBADRM Cc1nn(C)cc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608005795 1019063668 /nfs/dbraw/zinc/06/36/68/1019063668.db2.gz YYRUAYYLVFHCHU-NXEZZACHSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CC[C@](O)(C(=O)[O-])C1 ZINC001608000277 1019064216 /nfs/dbraw/zinc/06/42/16/1019064216.db2.gz WCUGKCWERZVESF-QMTHXVAHSA-N -1 0 310.354 -0.115 20 0 DBADRM Cc1nn(CCS(=O)(=O)NC2(C(=O)[O-])CCCC2)c(=O)o1 ZINC001608010934 1019064468 /nfs/dbraw/zinc/06/44/68/1019064468.db2.gz AMMYAUFUCDHEDG-UHFFFAOYSA-N -1 0 319.339 -0.538 20 0 DBADRM Cc1nn(CC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)c(CO)c1C ZINC001608003745 1019064522 /nfs/dbraw/zinc/06/45/22/1019064522.db2.gz OLZXZRXTIYJTCP-LBPRGKRZSA-N -1 0 311.338 -0.422 20 0 DBADRM Cc1nn(C)cc1CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001608003347 1019064603 /nfs/dbraw/zinc/06/46/03/1019064603.db2.gz WAQRQRYETULSHW-NSHDSACASA-N -1 0 308.338 -0.332 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)n1 ZINC001608026039 1019065879 /nfs/dbraw/zinc/06/58/79/1019065879.db2.gz LQHAWFJYHCKGSW-IONNQARKSA-N -1 0 310.310 -0.342 20 0 DBADRM Cc1nnc(CN(C)CC(=O)Nc2c[nH]nc2C(=O)[O-])n1C ZINC001608014682 1019065902 /nfs/dbraw/zinc/06/59/02/1019065902.db2.gz PPVAGTLUSWKVCZ-UHFFFAOYSA-N -1 0 307.314 -0.385 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)n1C ZINC001608016819 1019066186 /nfs/dbraw/zinc/06/61/86/1019066186.db2.gz XNCVDCKAUMJZME-VXNVDRBHSA-N -1 0 309.326 -0.939 20 0 DBADRM Cc1noc(C)c1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001608024078 1019066881 /nfs/dbraw/zinc/06/68/81/1019066881.db2.gz HCUCGEVPLZAMFZ-VHSXEESVSA-N -1 0 307.306 -0.047 20 0 DBADRM Cc1nnc(Cn2nnc(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)c2C)o1 ZINC001608014649 1019067050 /nfs/dbraw/zinc/06/70/50/1019067050.db2.gz ADUXXUUJEVQXHX-KYZUINATSA-N -1 0 320.309 -0.081 20 0 DBADRM Cc1noc([C@H](C)N(C)C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001608021590 1019067086 /nfs/dbraw/zinc/06/70/86/1019067086.db2.gz VKYRDACLLAIAEQ-CNUIFLNQSA-N -1 0 310.310 -0.123 20 0 DBADRM Cc1nnsc1C(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608018946 1019068188 /nfs/dbraw/zinc/06/81/88/1019068188.db2.gz OMNLIBXJMKIVLB-SFYZADRCSA-N -1 0 324.362 -0.054 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)n1C ZINC001608016816 1019068268 /nfs/dbraw/zinc/06/82/68/1019068268.db2.gz XNCVDCKAUMJZME-APPZFPTMSA-N -1 0 309.326 -0.939 20 0 DBADRM Cc1noc(CCCNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)n1 ZINC001608026214 1019068400 /nfs/dbraw/zinc/06/84/00/1019068400.db2.gz OHYFRAFMDPZXNQ-KYZUINATSA-N -1 0 310.310 -0.594 20 0 DBADRM Cc1nonc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608031508 1019068762 /nfs/dbraw/zinc/06/87/62/1019068762.db2.gz VSRCMSHITGUOPL-JXUBOQSCSA-N -1 0 322.321 -0.595 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N2CCNC(=O)[C@H]2C)cc1C(=O)[O-] ZINC001608049150 1019069903 /nfs/dbraw/zinc/06/99/03/1019069903.db2.gz AJZQXOFOPQBQIG-SSDOTTSWSA-N -1 0 323.305 -0.751 20 0 DBADRM Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@](C)(CO)C(=O)[O-] ZINC001608031885 1019070097 /nfs/dbraw/zinc/07/00/97/1019070097.db2.gz UOZAEUVEKBQLDY-CYBMUJFWSA-N -1 0 308.294 -0.051 20 0 DBADRM Cn1cnnc1S(=O)(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001608139027 1019090529 /nfs/dbraw/zinc/09/05/29/1019090529.db2.gz BLKHEDRMOHTHKZ-UHFFFAOYSA-N -1 0 304.328 -0.883 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NC[C@H](CC(=O)[O-])C2CC2)c1=O ZINC001608077645 1019071322 /nfs/dbraw/zinc/07/13/22/1019071322.db2.gz FHBJRKHRVVSGOH-JTQLQIEISA-N -1 0 309.322 -0.836 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001608054148 1019071651 /nfs/dbraw/zinc/07/16/51/1019071651.db2.gz BDQQJHOHPKWDGI-KNVOCYPGSA-N -1 0 302.308 -0.172 20 0 DBADRM Cn1c(=O)oc2c1cccc2NC(=O)NCC(=O)NCC(=O)[O-] ZINC001608077347 1019071851 /nfs/dbraw/zinc/07/18/51/1019071851.db2.gz RTCWLCOWIJRUKQ-UHFFFAOYSA-N -1 0 322.277 -0.546 20 0 DBADRM Cn1c(=O)[nH]c2cc(C(=O)N3CC[C@](O)(C(=O)[O-])C3)ccc21 ZINC001608075992 1019072314 /nfs/dbraw/zinc/07/23/14/1019072314.db2.gz MENYXZMGUDSBMS-CQSZACIVSA-N -1 0 305.290 -0.060 20 0 DBADRM Cn1[nH]c(C2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)CC2)nc1=N ZINC001608073737 1019072754 /nfs/dbraw/zinc/07/27/54/1019072754.db2.gz VXXWDWVKJKXBBZ-ZJUUUORDSA-N -1 0 323.353 -0.434 20 0 DBADRM Cc1occc(=O)c1OCC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001608055829 1019072802 /nfs/dbraw/zinc/07/28/02/1019072802.db2.gz PDYKFWUKNJBVTK-CABZTGNLSA-N -1 0 311.290 -0.236 20 0 DBADRM Cn1c(=O)ccn(CC(=O)O[C@@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)c1=O ZINC001608077743 1019073356 /nfs/dbraw/zinc/07/33/56/1019073356.db2.gz HFVSUFSKYGPOBC-GWOFURMSSA-N -1 0 322.317 -0.411 20 0 DBADRM Cc1sc(=O)n(CCC(=O)N2CC[C@](O)(C(=O)[O-])C2)c1C ZINC001608058440 1019073374 /nfs/dbraw/zinc/07/33/74/1019073374.db2.gz LGARSSQKOHQEPJ-CYBMUJFWSA-N -1 0 314.363 -0.035 20 0 DBADRM Cn1c2ncn(Cc3ccc(C(=O)[O-])o3)c2c(=O)n(C)c1=O ZINC001608075942 1019073693 /nfs/dbraw/zinc/07/36/93/1019073693.db2.gz HXKPYZCJHZLECS-UHFFFAOYSA-N -1 0 304.262 -0.227 20 0 DBADRM Cc1occc1CN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001608055400 1019073992 /nfs/dbraw/zinc/07/39/92/1019073992.db2.gz FESBSKBANRSLSW-NEPJUHHUSA-N -1 0 324.333 -0.160 20 0 DBADRM Cn1c(=O)cc(COC(=O)c2ccc(C(=O)[O-])cn2)n(C)c1=O ZINC001608090355 1019075555 /nfs/dbraw/zinc/07/55/55/1019075555.db2.gz VANCUHZMGCPPRK-UHFFFAOYSA-N -1 0 319.273 -0.466 20 0 DBADRM Cn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1[C@@]1(C)CCC(=O)NC1 ZINC001608091523 1019076040 /nfs/dbraw/zinc/07/60/40/1019076040.db2.gz NXLDZFWZVPDYKX-OTYXRUKQSA-N -1 0 323.353 -0.727 20 0 DBADRM Cn1c([C@@H]2SCCNC2=O)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001608086692 1019076194 /nfs/dbraw/zinc/07/61/94/1019076194.db2.gz DDDPQVRSVKGLTQ-SFYZADRCSA-N -1 0 311.367 -0.370 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NCCCCS(N)(=O)=O ZINC001608082686 1019076490 /nfs/dbraw/zinc/07/64/90/1019076490.db2.gz RQNYCCWDHWSAOU-UHFFFAOYSA-N -1 0 303.340 -0.478 20 0 DBADRM Cn1c([C@@H]2CCS(=O)(=O)N2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001608087512 1019076618 /nfs/dbraw/zinc/07/66/18/1019076618.db2.gz NQVNANHCJABXCI-SFYZADRCSA-N -1 0 315.355 -0.910 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)n1 ZINC001608100258 1019077005 /nfs/dbraw/zinc/07/70/05/1019077005.db2.gz UACHKKPEBHVTAP-ZETCQYMHSA-N -1 0 318.293 -0.167 20 0 DBADRM Cn1cc(C(=O)C(=O)NCC2(CC(=O)[O-])CCOCC2)cn1 ZINC001608097273 1019077128 /nfs/dbraw/zinc/07/71/28/1019077128.db2.gz UJGUVTNXZYENTN-UHFFFAOYSA-N -1 0 309.322 -0.010 20 0 DBADRM Cn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)n(C)c1=O ZINC001608096544 1019077203 /nfs/dbraw/zinc/07/72/03/1019077203.db2.gz MTTXBIUWCRJADS-LLVKDONJSA-N -1 0 305.290 -0.015 20 0 DBADRM Cn1cc(C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])ccc1=O ZINC001608098212 1019077213 /nfs/dbraw/zinc/07/72/13/1019077213.db2.gz MKPXONACBHDQRQ-AWEZNQCLSA-N -1 0 304.306 -0.145 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001608097640 1019077355 /nfs/dbraw/zinc/07/73/55/1019077355.db2.gz DJNBUNVVJRYWJR-VGDYDELISA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1cc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)ccc1=O ZINC001608096329 1019077371 /nfs/dbraw/zinc/07/73/71/1019077371.db2.gz JAXKKWPLJCBTFZ-SNVBAGLBSA-N -1 0 317.305 -0.238 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)C(=O)N2C[C@@H]3CSC[C@@H]3C2)n1 ZINC001608099695 1019077389 /nfs/dbraw/zinc/07/73/89/1019077389.db2.gz IBBWAJJBUXXUPA-OCAPTIKFSA-N -1 0 324.362 -0.122 20 0 DBADRM Cn1cc(C(=O)N[C@H](CC2CCOCC2)C(=O)[O-])n(C)c1=O ZINC001608098231 1019077558 /nfs/dbraw/zinc/07/75/58/1019077558.db2.gz NQCCBYGWSXFWMD-SNVBAGLBSA-N -1 0 311.338 -0.277 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2CCN3CCOC[C@H]3C2)n1 ZINC001608099251 1019077653 /nfs/dbraw/zinc/07/76/53/1019077653.db2.gz NMCDRVDKZRONLV-SECBINFHSA-N -1 0 309.326 -0.333 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)n1 ZINC001608099851 1019077697 /nfs/dbraw/zinc/07/76/97/1019077697.db2.gz KOHNBNYBQRDVSV-NSHDSACASA-N -1 0 316.339 -0.471 20 0 DBADRM Cn1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001608097898 1019077832 /nfs/dbraw/zinc/07/78/32/1019077832.db2.gz AHAJKDYEPSXRCW-QWRGUYRKSA-N -1 0 306.322 -0.671 20 0 DBADRM Cn1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)n(C)c1=O ZINC001608096545 1019077904 /nfs/dbraw/zinc/07/79/04/1019077904.db2.gz MTTXBIUWCRJADS-NSHDSACASA-N -1 0 305.290 -0.015 20 0 DBADRM Cn1cc(C(F)F)c(CNC(=O)Cn2cc(C(=O)[O-])nn2)n1 ZINC001608105363 1019078940 /nfs/dbraw/zinc/07/89/40/1019078940.db2.gz BNIXQXRSBJCKFG-UHFFFAOYSA-N -1 0 314.252 -0.036 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001608101749 1019079334 /nfs/dbraw/zinc/07/93/34/1019079334.db2.gz GRUIRMBNALFTTD-MRVPVSSYSA-N -1 0 309.326 -0.083 20 0 DBADRM Cn1cc(CCOC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)cn1 ZINC001608109610 1019079359 /nfs/dbraw/zinc/07/93/59/1019079359.db2.gz JGRUTAUGROFRFT-NSHDSACASA-N -1 0 309.322 -0.171 20 0 DBADRM Cn1c(CNC(=O)Cn2cc(C(=O)[O-])nn2)nnc1C1CCC1 ZINC001608104887 1019079504 /nfs/dbraw/zinc/07/95/04/1019079504.db2.gz RDRCGSQMBGJKEG-UHFFFAOYSA-N -1 0 319.325 -0.311 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@H]2CC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001608107315 1019080303 /nfs/dbraw/zinc/08/03/03/1019080303.db2.gz PTYHIICJXIGSND-OJKCRXNLSA-N -1 0 307.306 -0.923 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N[C@@H](CF)C(=O)[O-])CCC2=O)cn1 ZINC001608117642 1019082628 /nfs/dbraw/zinc/08/26/28/1019082628.db2.gz PHCXYMDZKMYIPF-WPRPVWTQSA-N -1 0 312.301 -0.298 20 0 DBADRM Cn1cc(CNC(=O)Nc2cc(C(=O)[O-])ccn2)c(=O)[nH]c1=O ZINC001608113166 1019082820 /nfs/dbraw/zinc/08/28/20/1019082820.db2.gz DDKXQHLYRTZBLO-UHFFFAOYSA-N -1 0 319.277 -0.099 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])ccc1=O ZINC001608116939 1019083284 /nfs/dbraw/zinc/08/32/84/1019083284.db2.gz PFQIRYNOLVYIFL-JTQLQIEISA-N -1 0 307.306 -0.211 20 0 DBADRM Cn1cc(CN2CCC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001608112769 1019083449 /nfs/dbraw/zinc/08/34/49/1019083449.db2.gz PVESDPXEWHEDNI-OLZOCXBDSA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)C2)cn1 ZINC001608117971 1019083605 /nfs/dbraw/zinc/08/36/05/1019083605.db2.gz YUNUQIYLQZSETD-FTYKPCCVSA-N -1 0 319.365 -0.029 20 0 DBADRM Cn1ccc(-n2cc(CN3CCC([C@H](O)C(=O)[O-])CC3)nn2)n1 ZINC001608123851 1019084357 /nfs/dbraw/zinc/08/43/57/1019084357.db2.gz WANHLLPHHLIFDO-ZDUSSCGKSA-N -1 0 320.353 -0.342 20 0 DBADRM Cn1ccc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001608126094 1019084658 /nfs/dbraw/zinc/08/46/58/1019084658.db2.gz COIDIDMRWLKRNI-KKOKHZNYSA-N -1 0 320.349 -0.553 20 0 DBADRM Cn1ccc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001608126093 1019084809 /nfs/dbraw/zinc/08/48/09/1019084809.db2.gz COIDIDMRWLKRNI-FIQHERPVSA-N -1 0 320.349 -0.553 20 0 DBADRM Cn1ccc(C(=O)NCC2(O)CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001608123888 1019085110 /nfs/dbraw/zinc/08/51/10/1019085110.db2.gz XPRCFXWRCYXLHX-QWRGUYRKSA-N -1 0 321.333 -0.951 20 0 DBADRM Cn1ccnc(NC(=O)NC2(CC(=O)[O-])CCOCC2)c1=O ZINC001608129006 1019087011 /nfs/dbraw/zinc/08/70/11/1019087011.db2.gz IEDOXDUVBBZUIJ-UHFFFAOYSA-N -1 0 310.310 -0.074 20 0 DBADRM Cn1cnc2c1nccc2C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC001608135113 1019087314 /nfs/dbraw/zinc/08/73/14/1019087314.db2.gz AHRVJLGNYMJJMR-UHFFFAOYSA-N -1 0 301.266 -0.034 20 0 DBADRM Cn1ccc(CC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001608126887 1019087443 /nfs/dbraw/zinc/08/74/43/1019087443.db2.gz PXKBCSNSAVBHTF-SNVBAGLBSA-N -1 0 304.310 -0.274 20 0 DBADRM Cn1ccnc1CN1CCC(C(=O)N[C@H](CO)C(=O)[O-])CC1 ZINC001608132369 1019087460 /nfs/dbraw/zinc/08/74/60/1019087460.db2.gz DTYJHBOHZKGNAL-LLVKDONJSA-N -1 0 310.354 -0.806 20 0 DBADRM Cn1cnc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1 ZINC001608134922 1019087826 /nfs/dbraw/zinc/08/78/26/1019087826.db2.gz YQGMMPFYGFVSLD-SGUJLRQBSA-N -1 0 306.322 -0.375 20 0 DBADRM Cn1cnc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[C@H]4C(=O)[O-])C[C@H]32)c1 ZINC001608133261 1019087997 /nfs/dbraw/zinc/08/79/97/1019087997.db2.gz BRAZHHZZFDUISL-KUNJHIDRSA-N -1 0 318.333 -0.673 20 0 DBADRM Cn1cccc1C(=O)C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001608129873 1019088322 /nfs/dbraw/zinc/08/83/22/1019088322.db2.gz FIGXXBRINMEPDA-JTQLQIEISA-N -1 0 308.290 -0.173 20 0 DBADRM Cn1cnc(/C=C\C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC001608133726 1019088343 /nfs/dbraw/zinc/08/83/43/1019088343.db2.gz HQDCZGSYANWWSS-MXQLGCADSA-N -1 0 313.335 -0.857 20 0 DBADRM Cn1ccnc1CN1CCC(C(=O)N[C@@H](CO)C(=O)[O-])CC1 ZINC001608132371 1019089143 /nfs/dbraw/zinc/08/91/43/1019089143.db2.gz DTYJHBOHZKGNAL-NSHDSACASA-N -1 0 310.354 -0.806 20 0 DBADRM Cn1cnn(CC(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)c1=O ZINC001608137319 1019089345 /nfs/dbraw/zinc/08/93/45/1019089345.db2.gz GPHCCQUOCSFYMP-LLVKDONJSA-N -1 0 318.289 -0.539 20 0 DBADRM Cn1cnn(CC(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)c1=O ZINC001608137226 1019089445 /nfs/dbraw/zinc/08/94/45/1019089445.db2.gz AFGKQIRGAVBJQP-AWEZNQCLSA-N -1 0 319.321 -0.517 20 0 DBADRM Cn1cncc1CCN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001608136616 1019089485 /nfs/dbraw/zinc/08/94/85/1019089485.db2.gz BLPDGXUPBPHYNB-LLVKDONJSA-N -1 0 301.368 -0.464 20 0 DBADRM Cn1cnn(CCC(=O)NC(C)(C)c2nocc2C(=O)[O-])c1=O ZINC001608137367 1019090185 /nfs/dbraw/zinc/09/01/85/1019090185.db2.gz IRALONGEYKHIMH-UHFFFAOYSA-N -1 0 323.309 -0.290 20 0 DBADRM Cn1cnn(CC(=O)Nc2cccc(OCC(=O)[O-])c2)c1=O ZINC001608137689 1019090820 /nfs/dbraw/zinc/09/08/20/1019090820.db2.gz SRVUFYKKWHCLIB-UHFFFAOYSA-N -1 0 306.278 -0.316 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1Cl ZINC001608135157 1019091896 /nfs/dbraw/zinc/09/18/96/1019091896.db2.gz DLIADJWDWMWJDC-SNVBAGLBSA-N -1 0 323.758 -0.014 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC001608142482 1019092315 /nfs/dbraw/zinc/09/23/15/1019092315.db2.gz AGXFRZWMQDBKAA-UHFFFAOYSA-N -1 0 315.351 -0.185 20 0 DBADRM Cn1nc(Br)cc1C(=O)N[C@](C)(CO)C(=O)[O-] ZINC001608139253 1019092378 /nfs/dbraw/zinc/09/23/78/1019092378.db2.gz DXQCTONDLMNASA-SECBINFHSA-N -1 0 306.116 -0.252 20 0 DBADRM Cn1cnnc1CN1CCC2(CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)C1 ZINC001608139431 1019092490 /nfs/dbraw/zinc/09/24/90/1019092490.db2.gz SJDKCSWIMVZRKV-GHMZBOCLSA-N -1 0 319.365 -0.430 20 0 DBADRM Cn1nc(Br)nc1CN1CCOC[C@@H]1C(=O)[O-] ZINC001608139613 1019092605 /nfs/dbraw/zinc/09/26/05/1019092605.db2.gz FRQIAKCOVHBJIP-ZCFIWIBFSA-N -1 0 305.132 -0.137 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC1(C(F)F)CC1 ZINC001608154959 1019093651 /nfs/dbraw/zinc/09/36/51/1019093651.db2.gz KBOSYUOAHLCQKQ-UHFFFAOYSA-N -1 0 302.237 -0.029 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N[C@H](CO)CC1CCC1 ZINC001608155726 1019093668 /nfs/dbraw/zinc/09/36/68/1019093668.db2.gz UMTCECXZJQKTRK-VIFPVBQESA-N -1 0 324.337 -0.276 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1CCN2CCOC[C@H]2C1 ZINC001608155467 1019094068 /nfs/dbraw/zinc/09/40/68/1019094068.db2.gz HPOLTXJPWZNFQQ-SECBINFHSA-N -1 0 309.326 -0.333 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1N ZINC001608156192 1019094080 /nfs/dbraw/zinc/09/40/80/1019094080.db2.gz XCHRVKXXSLGPOT-KZVJFYERSA-N -1 0 321.337 -0.900 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N[C@@H](CO)CC1CCC1 ZINC001608155725 1019094159 /nfs/dbraw/zinc/09/41/59/1019094159.db2.gz UMTCECXZJQKTRK-SECBINFHSA-N -1 0 324.337 -0.276 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCC(CO)CC1 ZINC001608155722 1019094598 /nfs/dbraw/zinc/09/45/98/1019094598.db2.gz UHXOWXQZUJWFRP-UHFFFAOYSA-N -1 0 310.310 -0.712 20 0 DBADRM Cn1ncc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001608155279 1019095042 /nfs/dbraw/zinc/09/50/42/1019095042.db2.gz HDPUVJAPBLHPIS-QCLAVDOMSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001608155701 1019095164 /nfs/dbraw/zinc/09/51/64/1019095164.db2.gz SXSDUUOGCIOHRG-DTWKUNHWSA-N -1 0 312.326 -0.427 20 0 DBADRM Cn1ncc(CCCNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC001608157668 1019095376 /nfs/dbraw/zinc/09/53/76/1019095376.db2.gz MCMKCHIADJTZQT-NSHDSACASA-N -1 0 311.342 -0.367 20 0 DBADRM Cn1nc(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)cc1C(=O)[O-] ZINC001608150571 1019095395 /nfs/dbraw/zinc/09/53/95/1019095395.db2.gz CJKFCASBLKWPPW-QIPHIMSASA-N -1 0 321.289 -0.223 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CN1CCC(CO)CC1)C(=O)[O-] ZINC001608162707 1019096297 /nfs/dbraw/zinc/09/62/97/1019096297.db2.gz PWRWGCSFSJGDPP-CYBMUJFWSA-N -1 0 310.354 -0.634 20 0 DBADRM Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001608160976 1019097175 /nfs/dbraw/zinc/09/71/75/1019097175.db2.gz YBBJZTSAQXHOJQ-FXPVBKGRSA-N -1 0 320.349 -0.107 20 0 DBADRM Cn1nccc1C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608162464 1019097359 /nfs/dbraw/zinc/09/73/59/1019097359.db2.gz LKUOMBSRNPTZCK-GHMZBOCLSA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1nccc1C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608161986 1019097382 /nfs/dbraw/zinc/09/73/82/1019097382.db2.gz AYWBWKHKIJVNPT-UWVGGRQHSA-N -1 0 306.322 -0.671 20 0 DBADRM Cn1nnc(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)n1 ZINC001608165092 1019097452 /nfs/dbraw/zinc/09/74/52/1019097452.db2.gz BPDHHBJZKKKJFW-IVZWLZJFSA-N -1 0 309.326 -0.306 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)N[C@H](C(=O)[O-])C1CC1)[nH]c2=O ZINC001608159016 1019097558 /nfs/dbraw/zinc/09/75/58/1019097558.db2.gz IKKPKFGLXRMGND-NSHDSACASA-N -1 0 319.321 -0.019 20 0 DBADRM Cn1ncc(NCCC(=O)NCCC(=O)[O-])c(Cl)c1=O ZINC001608159752 1019097639 /nfs/dbraw/zinc/09/76/39/1019097639.db2.gz SLQJQODATJCEJU-UHFFFAOYSA-N -1 0 302.718 -0.173 20 0 DBADRM Cn1nnc(C(=O)N2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)n1 ZINC001608165090 1019097881 /nfs/dbraw/zinc/09/78/81/1019097881.db2.gz BPDHHBJZKKKJFW-GUBZILKMSA-N -1 0 309.326 -0.306 20 0 DBADRM Cn1nccc1COCC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001608165307 1019097949 /nfs/dbraw/zinc/09/79/49/1019097949.db2.gz KDKCDBUIUOWXHT-CYBMUJFWSA-N -1 0 311.338 -0.379 20 0 DBADRM Cn1nnc(CN2CCC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001608165058 1019098172 /nfs/dbraw/zinc/09/81/72/1019098172.db2.gz AOWSQJJRYBACHJ-ZJUUUORDSA-N -1 0 308.342 -0.989 20 0 DBADRM Cn1nccc1C(=O)N1CCC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608162476 1019098193 /nfs/dbraw/zinc/09/81/93/1019098193.db2.gz LKUOMBSRNPTZCK-WDEREUQCSA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1ncc(CCC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)n1 ZINC001608158109 1019098229 /nfs/dbraw/zinc/09/82/29/1019098229.db2.gz WLRPWZKNMNPJTI-CYBMUJFWSA-N -1 0 307.310 -0.420 20 0 DBADRM Cn1nccc1COCC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001608165310 1019098322 /nfs/dbraw/zinc/09/83/22/1019098322.db2.gz KDKCDBUIUOWXHT-ZDUSSCGKSA-N -1 0 311.338 -0.379 20 0 DBADRM Cn1nccc1CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001608166024 1019099545 /nfs/dbraw/zinc/09/95/45/1019099545.db2.gz VYKVYWQZOWQPPR-GHMZBOCLSA-N -1 0 306.322 -0.990 20 0 DBADRM Cn1nnc(NC(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])n1 ZINC001608168213 1019099760 /nfs/dbraw/zinc/09/97/60/1019099760.db2.gz VCNRJQZYJJSOAN-VIFPVBQESA-N -1 0 320.309 -0.019 20 0 DBADRM Cn1nccc1CCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001608165694 1019100417 /nfs/dbraw/zinc/10/04/17/1019100417.db2.gz QPCFFXAGMTXPLE-SNVBAGLBSA-N -1 0 315.351 -0.937 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCSC[C@H]1C(=O)[O-])CC2 ZINC001608166951 1019100819 /nfs/dbraw/zinc/10/08/19/1019100819.db2.gz CTQPLXYHQBXQSN-KCJUWKMLSA-N -1 0 310.379 -0.051 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC001608167798 1019101995 /nfs/dbraw/zinc/10/19/95/1019101995.db2.gz JKVGUJWMUKDOMK-UHFFFAOYSA-N -1 0 308.319 -0.082 20 0 DBADRM Cn1nnnc1CCCNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001608169448 1019103811 /nfs/dbraw/zinc/10/38/11/1019103811.db2.gz VQWBLVUMDZOCEK-ZDMBXUJBSA-N -1 0 308.342 -0.305 20 0 DBADRM Cn1nncc1S(=O)(=O)NC(C)(C)c1nocc1C(=O)[O-] ZINC001608169589 1019104258 /nfs/dbraw/zinc/10/42/58/1019104258.db2.gz XPAYLFHDSNKZIV-UHFFFAOYSA-N -1 0 315.311 -0.285 20 0 DBADRM NC(=O)C(=O)N[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C12CCC2 ZINC001608226933 1019114978 /nfs/dbraw/zinc/11/49/78/1019114978.db2.gz HHWQLQLACGTMLR-IUCAKERBSA-N -1 0 319.321 -0.501 20 0 DBADRM NC(=O)[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001608228230 1019115817 /nfs/dbraw/zinc/11/58/17/1019115817.db2.gz OOAHUXVODNNHDS-OUAUKWLOSA-N -1 0 312.347 -0.004 20 0 DBADRM NC(=O)CC1(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1 ZINC001608230122 1019118133 /nfs/dbraw/zinc/11/81/33/1019118133.db2.gz IIDIEROECXBAPS-SECBINFHSA-N -1 0 311.338 -0.919 20 0 DBADRM NC(=O)CCCC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001608231597 1019121684 /nfs/dbraw/zinc/12/16/84/1019121684.db2.gz HBGPIGFEWIRWDJ-JTQLQIEISA-N -1 0 321.337 -0.157 20 0 DBADRM NC(=O)C1CCN(S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC001608232259 1019121883 /nfs/dbraw/zinc/12/18/83/1019121883.db2.gz SGBBRVVQZDIQKL-UHFFFAOYSA-N -1 0 319.364 -0.273 20 0 DBADRM NC(=O)CCNC(=O)c1ccc(NC(=O)NCCC(=O)[O-])cc1 ZINC001608234227 1019122088 /nfs/dbraw/zinc/12/20/88/1019122088.db2.gz SGMNTAZWESCDPW-UHFFFAOYSA-N -1 0 322.321 -0.112 20 0 DBADRM NC(=O)CN(C(=O)c1ccc(C(=O)[O-])cn1)C1CCOCC1 ZINC001608234446 1019122789 /nfs/dbraw/zinc/12/27/89/1019122789.db2.gz GIFOCTZJAICACO-UHFFFAOYSA-N -1 0 307.306 -0.114 20 0 DBADRM NC(=O)CC1(CNS(=O)(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC001608231983 1019123328 /nfs/dbraw/zinc/12/33/28/1019123328.db2.gz XGCGOEPBSJTBKW-UHFFFAOYSA-N -1 0 313.335 -0.286 20 0 DBADRM NC(=O)CN1CCC[C@H](NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC001608234424 1019123964 /nfs/dbraw/zinc/12/39/64/1019123964.db2.gz FSFHUXPQRFCLJW-WOPDTQHZSA-N -1 0 311.382 -0.057 20 0 DBADRM NC(=O)N1CCN2C(=O)N(Cc3cc(C(=O)[O-])co3)C(=O)[C@H]2C1 ZINC001608238078 1019125224 /nfs/dbraw/zinc/12/52/24/1019125224.db2.gz KVRSZUNNOSKOHV-SECBINFHSA-N -1 0 322.277 -0.495 20 0 DBADRM NC(=O)N[C@H](CC(=O)NC[C@H](O)C(=O)[O-])c1cccs1 ZINC001608238295 1019125303 /nfs/dbraw/zinc/12/53/03/1019125303.db2.gz OUWAGDSVVOCDHH-RQJHMYQMSA-N -1 0 301.324 -0.591 20 0 DBADRM NC(=O)Cn1cc(C(=O)NCC2(C(=O)[O-])CCCCC2)nn1 ZINC001608237401 1019125357 /nfs/dbraw/zinc/12/53/57/1019125357.db2.gz YMXBZIWEPCWUEB-UHFFFAOYSA-N -1 0 309.326 -0.472 20 0 DBADRM NC(=O)NCCCCCC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001608238181 1019126017 /nfs/dbraw/zinc/12/60/17/1019126017.db2.gz NHNNQCMJIQKEOI-SNVBAGLBSA-N -1 0 301.343 -0.083 20 0 DBADRM NC(=O)Cn1cc(C(=O)Nc2c(F)cccc2C(=O)[O-])nn1 ZINC001608236827 1019126417 /nfs/dbraw/zinc/12/64/17/1019126417.db2.gz ISRCMSATFVUSSI-UHFFFAOYSA-N -1 0 307.241 -0.147 20 0 DBADRM NC(=O)N1CCCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001608237344 1019126446 /nfs/dbraw/zinc/12/64/46/1019126446.db2.gz WKUPZGSQSOIOSB-ZJUUUORDSA-N -1 0 319.383 -0.344 20 0 DBADRM NC(=O)N1CCN2C(=O)N(Cc3cc(C(=O)[O-])co3)C(=O)[C@@H]2C1 ZINC001608238079 1019126696 /nfs/dbraw/zinc/12/66/96/1019126696.db2.gz KVRSZUNNOSKOHV-VIFPVBQESA-N -1 0 322.277 -0.495 20 0 DBADRM NC(=O)Cn1cc(NC(=O)c2cccc(C(=O)[O-])n2)ccc1=O ZINC001608236915 1019126943 /nfs/dbraw/zinc/12/69/43/1019126943.db2.gz LOHCTPFBWMMXAH-UHFFFAOYSA-N -1 0 316.273 -0.321 20 0 DBADRM NC(=O)CN1CCC(NC(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC001608235288 1019127287 /nfs/dbraw/zinc/12/72/87/1019127287.db2.gz ZNMHDDUMLROUAV-UHFFFAOYSA-N -1 0 306.322 -0.541 20 0 DBADRM NC(=O)c1ccc(/C=C\C(=O)NC[C@@]2(C(=O)[O-])CCOC2)o1 ZINC001608242413 1019129712 /nfs/dbraw/zinc/12/97/12/1019129712.db2.gz CKYYNNCHOBHSNV-XBPVQUQDSA-N -1 0 308.290 -0.001 20 0 DBADRM NC(=O)c1cc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])co1 ZINC001608242144 1019129891 /nfs/dbraw/zinc/12/98/91/1019129891.db2.gz XTESBRKANKRAKZ-QMMMGPOBSA-N -1 0 312.278 -0.285 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])O1 ZINC001608239549 1019129945 /nfs/dbraw/zinc/12/99/45/1019129945.db2.gz FSYPBGXHQATYNN-MWGHHZFTSA-N -1 0 314.338 -0.595 20 0 DBADRM NC(=O)c1ccc(/C=C/C(=O)NC[C@@]2(C(=O)[O-])CCOC2)o1 ZINC001608242412 1019130320 /nfs/dbraw/zinc/13/03/20/1019130320.db2.gz CKYYNNCHOBHSNV-PMUGQKEBSA-N -1 0 308.290 -0.001 20 0 DBADRM NC(=O)N[C@@H]1CCN(C(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001608238489 1019130638 /nfs/dbraw/zinc/13/06/38/1019130638.db2.gz UHFWWRWUXIGHBW-SSDOTTSWSA-N -1 0 312.282 -0.841 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@]2(CC(=O)[O-])CCOC2)O1 ZINC001608240685 1019130798 /nfs/dbraw/zinc/13/07/98/1019130798.db2.gz TVYSETXDJCVINW-BFVZDQMLSA-N -1 0 314.338 -0.451 20 0 DBADRM NC(=O)c1cccc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1 ZINC001608246249 1019132837 /nfs/dbraw/zinc/13/28/37/1019132837.db2.gz NXHXPICXJAQIGR-NEPJUHHUSA-N -1 0 321.333 -0.238 20 0 DBADRM NC(=O)c1ccc(CC(=O)OCC(=O)C2(C(=O)[O-])CC2)cn1 ZINC001608243261 1019133085 /nfs/dbraw/zinc/13/30/85/1019133085.db2.gz SBVADWONROAQNI-UHFFFAOYSA-N -1 0 306.274 -0.300 20 0 DBADRM NC(=O)c1ccc(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)nc1 ZINC001608243237 1019133223 /nfs/dbraw/zinc/13/32/23/1019133223.db2.gz PJKNLOXVIGTYGB-ZJUUUORDSA-N -1 0 307.306 -0.352 20 0 DBADRM NC(=O)c1cccc(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1 ZINC001608246255 1019133366 /nfs/dbraw/zinc/13/33/66/1019133366.db2.gz NXHXPICXJAQIGR-VXGBXAGGSA-N -1 0 321.333 -0.238 20 0 DBADRM NC(=O)c1csc(N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001608245855 1019134048 /nfs/dbraw/zinc/13/40/48/1019134048.db2.gz SAGCSVHPZQYRHQ-LURJTMIESA-N -1 0 308.323 -0.017 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)n1 ZINC001608244969 1019134749 /nfs/dbraw/zinc/13/47/49/1019134749.db2.gz AGZPFVNYFKNGSZ-ZDUSSCGKSA-N -1 0 324.268 -0.856 20 0 DBADRM NS(=O)(=O)CCCNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001608260057 1019139882 /nfs/dbraw/zinc/13/98/82/1019139882.db2.gz ACNBJFZLVIMPLS-UHFFFAOYSA-N -1 0 300.336 -0.278 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1 ZINC001608259413 1019140552 /nfs/dbraw/zinc/14/05/52/1019140552.db2.gz KNKKYEDTALHUHY-IVZWLZJFSA-N -1 0 320.367 -0.712 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001608259089 1019141382 /nfs/dbraw/zinc/14/13/82/1019141382.db2.gz GLIBRFYNLRIZGM-UHFFFAOYSA-N -1 0 317.323 -0.487 20 0 DBADRM NS(=O)(=O)CCCC(=O)OCc1cnc(C(=O)[O-])cn1 ZINC001608259028 1019141464 /nfs/dbraw/zinc/14/14/64/1019141464.db2.gz DJVHAUVATPPIAC-UHFFFAOYSA-N -1 0 303.296 -0.713 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)CCSCC(=O)[O-])C1 ZINC001608259788 1019141525 /nfs/dbraw/zinc/14/15/25/1019141525.db2.gz SUHNPYKRCGZYAF-MRVPVSSYSA-N -1 0 310.397 -0.669 20 0 DBADRM NS(=O)(=O)CC1CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC001608259122 1019141577 /nfs/dbraw/zinc/14/15/77/1019141577.db2.gz HQWNLBNTFQBYCX-UHFFFAOYSA-N -1 0 300.340 -0.320 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1 ZINC001608259415 1019141707 /nfs/dbraw/zinc/14/17/07/1019141707.db2.gz KNKKYEDTALHUHY-LPEHRKFASA-N -1 0 320.367 -0.712 20 0 DBADRM [NH3+]CCCC[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C(=O)[O-] ZINC001608256949 1019141816 /nfs/dbraw/zinc/14/18/16/1019141816.db2.gz CTCJFNUJKHRIBG-VIFPVBQESA-N -1 0 322.383 -0.257 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1 ZINC001608259951 1019142041 /nfs/dbraw/zinc/14/20/41/1019142041.db2.gz WQHZZTPTPORGFH-WCBMZHEXSA-N -1 0 317.367 -0.520 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001608259737 1019142051 /nfs/dbraw/zinc/14/20/51/1019142051.db2.gz QZOCAFPTGAVTGJ-HUUUCTMMSA-N -1 0 302.352 -0.622 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001608260981 1019142823 /nfs/dbraw/zinc/14/28/23/1019142823.db2.gz FNQGRONEHJACEH-JTQLQIEISA-N -1 0 317.367 -0.809 20 0 DBADRM NS(=O)(=O)c1cnn(CCC(=O)OCCCC(=O)[O-])c1 ZINC001608264275 1019142926 /nfs/dbraw/zinc/14/29/26/1019142926.db2.gz VJBQQMDOSRDDHM-UHFFFAOYSA-N -1 0 305.312 -0.671 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@H](O)C[C@H](C(=O)[O-])C2)o1 ZINC001608263497 1019143584 /nfs/dbraw/zinc/14/35/84/1019143584.db2.gz SXMGAWNLSFLPGG-JGVFFNPUSA-N -1 0 304.324 -0.806 20 0 DBADRM NS(=O)(=O)c1ccc(CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])s1 ZINC001608263489 1019144189 /nfs/dbraw/zinc/14/41/89/1019144189.db2.gz SSMGHDHPDSSJCG-PSASIEDQSA-N -1 0 320.392 -0.195 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NCCSCC(=O)[O-])ccn1 ZINC001608262065 1019144400 /nfs/dbraw/zinc/14/44/00/1019144400.db2.gz LBJYGNKFHORUEO-UHFFFAOYSA-N -1 0 319.364 -0.723 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cs1 ZINC001608261060 1019144689 /nfs/dbraw/zinc/14/46/89/1019144689.db2.gz KCNWTHGEYHGFML-RNFRBKRXSA-N -1 0 320.348 -0.945 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)s1 ZINC001608262838 1019145130 /nfs/dbraw/zinc/14/51/30/1019145130.db2.gz DXUMCWNIGFNMQW-SFYZADRCSA-N -1 0 320.392 -0.337 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])co1 ZINC001608261701 1019145565 /nfs/dbraw/zinc/14/55/65/1019145565.db2.gz BPKWSCZMTUKRON-YUMQZZPRSA-N -1 0 302.308 -0.090 20 0 DBADRM Nc1c(C(=O)NC[C@H](O)CC(=O)[O-])cnn1-c1ccccn1 ZINC001608266926 1019147418 /nfs/dbraw/zinc/14/74/18/1019147418.db2.gz NAVFJWVZBVWGTJ-MRVPVSSYSA-N -1 0 305.294 -0.585 20 0 DBADRM Nc1ncc2c(n1)CN([C@@H]1CCCN(CCC(=O)[O-])C1=O)CC2 ZINC001608276562 1019148018 /nfs/dbraw/zinc/14/80/18/1019148018.db2.gz FXRINRMFYCJNNM-GFCCVEGCSA-N -1 0 319.365 -0.117 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001608268634 1019149041 /nfs/dbraw/zinc/14/90/41/1019149041.db2.gz KMWVVMANVDVQCY-SCSAIBSYSA-N -1 0 300.296 -0.888 20 0 DBADRM Nc1ccccc1S(=O)(=O)NCCC(=O)NCCC(=O)[O-] ZINC001608274801 1019149409 /nfs/dbraw/zinc/14/94/09/1019149409.db2.gz UWZCGLSPPGYYTM-UHFFFAOYSA-N -1 0 315.351 -0.472 20 0 DBADRM Nc1ncc2c(n1)CN(C(=O)c1cnc(C(=O)[O-])cn1)CC2 ZINC001608276818 1019149632 /nfs/dbraw/zinc/14/96/32/1019149632.db2.gz LXZQVHMJUUZESR-UHFFFAOYSA-N -1 0 300.278 -0.255 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@H]2CC(c3ccccn3)=NO2)C1 ZINC001608279150 1019152726 /nfs/dbraw/zinc/15/27/26/1019152726.db2.gz PSRMQUYQXIVUMI-RISCZKNCSA-N -1 0 305.290 -0.377 20 0 DBADRM Nc1nnn(CC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)n1 ZINC001608280093 1019152789 /nfs/dbraw/zinc/15/27/89/1019152789.db2.gz UMWJMXCUTJJANK-UHFFFAOYSA-N -1 0 302.294 -0.462 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@@H]2CC(c3ccccn3)=NO2)C1 ZINC001608279149 1019152855 /nfs/dbraw/zinc/15/28/55/1019152855.db2.gz PSRMQUYQXIVUMI-FZMZJTMJSA-N -1 0 305.290 -0.377 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)CC1(n2cnnn2)CCOCC1 ZINC001608291113 1019152949 /nfs/dbraw/zinc/15/29/49/1019152949.db2.gz CVVNKFNNSFONGX-QMMMGPOBSA-N -1 0 301.278 -0.892 20 0 DBADRM Nc1ncn(CC(=O)N2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)n1 ZINC001608278212 1019152955 /nfs/dbraw/zinc/15/29/55/1019152955.db2.gz WKXMQUVLUUSOIU-AWEZNQCLSA-N -1 0 323.353 -0.531 20 0 DBADRM Nc1nnc(CC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)s1 ZINC001608279944 1019153044 /nfs/dbraw/zinc/15/30/44/1019153044.db2.gz MLGIGZBJLNYCDC-SECBINFHSA-N -1 0 300.340 -0.653 20 0 DBADRM Nc1nccnc1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608277711 1019153216 /nfs/dbraw/zinc/15/32/16/1019153216.db2.gz NNUNPVOGWMGCDZ-DTWKUNHWSA-N -1 0 319.321 -0.936 20 0 DBADRM Nc1nnn(CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])n1 ZINC001608279295 1019153263 /nfs/dbraw/zinc/15/32/63/1019153263.db2.gz BKHLPSMRHPETGG-SECBINFHSA-N -1 0 308.273 -0.794 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)CC(F)(F)F)n1 ZINC001608289455 1019153277 /nfs/dbraw/zinc/15/32/77/1019153277.db2.gz YROCGWFKFMVEIV-LURJTMIESA-N -1 0 322.243 -0.562 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)CCC2CC2)C1 ZINC001608300080 1019154138 /nfs/dbraw/zinc/15/41/38/1019154138.db2.gz FYBWZSRVVOFGCW-QWRGUYRKSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001608303681 1019154585 /nfs/dbraw/zinc/15/45/85/1019154585.db2.gz IXLXTDXJVABQDH-KGFZYKRKSA-N -1 0 301.324 -0.949 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC001608298745 1019154650 /nfs/dbraw/zinc/15/46/50/1019154650.db2.gz CWTFPKFHJJLLIC-NSHDSACASA-N -1 0 322.317 -0.246 20 0 DBADRM O=C([O-])c1coc(CNC(=O)C[C@H]2CCCS2(=O)=O)n1 ZINC001608296606 1019154736 /nfs/dbraw/zinc/15/47/36/1019154736.db2.gz HLSSUJGHXTWDLR-SSDOTTSWSA-N -1 0 302.308 -0.044 20 0 DBADRM O=C([O-])c1c[nH]c(=O)c(NC(=O)CC2CS(=O)(=O)C2)c1 ZINC001608299884 1019155550 /nfs/dbraw/zinc/15/55/50/1019155550.db2.gz QDGOLYIGZJIVPD-UHFFFAOYSA-N -1 0 300.292 -0.141 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCN1C(=O)CCc2ccccc21 ZINC001608309326 1019155638 /nfs/dbraw/zinc/15/56/38/1019155638.db2.gz NBTMAWDYFSNHAF-LBPRGKRZSA-N -1 0 306.318 -0.082 20 0 DBADRM O=C([O-])c1cc(NC(=O)CCN2CCCS2(=O)=O)on1 ZINC001608309174 1019155714 /nfs/dbraw/zinc/15/57/14/1019155714.db2.gz JUISVOYDYCGWSI-UHFFFAOYSA-N -1 0 303.296 -0.263 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1 ZINC001608300008 1019156876 /nfs/dbraw/zinc/15/68/76/1019156876.db2.gz ATAOCSBFSKUDIC-GUBZILKMSA-N -1 0 303.311 -0.751 20 0 DBADRM O=C(CCOC1CCOCC1)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001608311602 1019157539 /nfs/dbraw/zinc/15/75/39/1019157539.db2.gz PINDLCGNQFRAQE-LLVKDONJSA-N -1 0 317.338 -0.096 20 0 DBADRM O=C([O-])[C@@H](CC(F)F)NC(=O)CCN1C(=O)CCNC1=S ZINC001608309658 1019158014 /nfs/dbraw/zinc/15/80/14/1019158014.db2.gz UGOJNOYSGOLXRP-ZCFIWIBFSA-N -1 0 323.321 -0.292 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CCOCC(F)(F)C(F)F)C1 ZINC001608312059 1019159131 /nfs/dbraw/zinc/15/91/31/1019159131.db2.gz XFHBZDJYXXLUQO-UHFFFAOYSA-N -1 0 303.208 -0.049 20 0 DBADRM O=C([O-])c1cnc(NCCNC(=O)CCc2cn[nH]n2)nc1 ZINC001608317224 1019159383 /nfs/dbraw/zinc/15/93/83/1019159383.db2.gz RVPKTWWATLASHL-UHFFFAOYSA-N -1 0 305.298 -0.546 20 0 DBADRM O=C([O-])[C@H](CC(F)F)NC(=O)CCN1C(=O)CCNC1=S ZINC001608309657 1019160309 /nfs/dbraw/zinc/16/03/09/1019160309.db2.gz UGOJNOYSGOLXRP-LURJTMIESA-N -1 0 323.321 -0.292 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(CC(=O)NC(=O)Nc2ccccc2)C1 ZINC001608327772 1019161076 /nfs/dbraw/zinc/16/10/76/1019161076.db2.gz VPJHBXFEVHQPDT-CQSZACIVSA-N -1 0 307.306 -0.144 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2CCn3cncc32)C1=O ZINC001608329824 1019162085 /nfs/dbraw/zinc/16/20/85/1019162085.db2.gz HHGFYWBDQXHHAJ-VHSXEESVSA-N -1 0 306.322 -0.233 20 0 DBADRM O=C([O-])[C@@H](CC(F)F)NC(=O)CN1CCCS1(=O)=O ZINC001608331315 1019162412 /nfs/dbraw/zinc/16/24/12/1019162412.db2.gz OJIIORKVFJHYBY-ZCFIWIBFSA-N -1 0 300.283 -0.754 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(CC(=O)Nc3ccncc3)C2)nn1 ZINC001608328893 1019162539 /nfs/dbraw/zinc/16/25/39/1019162539.db2.gz DQNIFEKVRJMQIP-LLVKDONJSA-N -1 0 316.321 -0.321 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NCc2ccc[nH]c2=O)C1=O ZINC001608330092 1019162608 /nfs/dbraw/zinc/16/26/08/1019162608.db2.gz MMLSXLNERRBDDU-JTQLQIEISA-N -1 0 307.306 -0.273 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@@H](CO)c2cccnc2)C1=O ZINC001608331216 1019162644 /nfs/dbraw/zinc/16/26/44/1019162644.db2.gz RUZGPHFFIYXYKH-NEPJUHHUSA-N -1 0 321.333 -0.446 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CCN3C(=O)NC[C@@H]3C2)n1 ZINC001608334150 1019163390 /nfs/dbraw/zinc/16/33/90/1019163390.db2.gz YJVRSPZNCFWXQS-SECBINFHSA-N -1 0 319.321 -0.572 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1CC(=O)NC(=O)NC1CCCC1 ZINC001608332243 1019163581 /nfs/dbraw/zinc/16/35/81/1019163581.db2.gz CVOVTICEVOABOM-JQWIXIFHSA-N -1 0 313.354 -0.335 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NC[C@@H](O)[C@H]1CCCO1 ZINC001608348516 1019165593 /nfs/dbraw/zinc/16/55/93/1019165593.db2.gz SQGFVROOTMDHBR-RKDXNWHRSA-N -1 0 314.294 -0.455 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)CNC(=O)c2cccc(O)c2)CCOC1 ZINC001608338508 1019165668 /nfs/dbraw/zinc/16/56/68/1019165668.db2.gz MKJSJRLSMAXFTL-CQSZACIVSA-N -1 0 308.290 -0.518 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CCNC(=O)CO)c2ccccc2O1 ZINC001608342806 1019165724 /nfs/dbraw/zinc/16/57/24/1019165724.db2.gz HJYDUMCRCPXBNH-LLVKDONJSA-N -1 0 308.290 -0.636 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)CNC(=O)c2cccnc2)CCSC1 ZINC001608338481 1019166199 /nfs/dbraw/zinc/16/61/99/1019166199.db2.gz LPCVNVLPTLDROC-CYBMUJFWSA-N -1 0 309.347 -0.112 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCC(=O)NC2CC2)n1 ZINC001608338003 1019166254 /nfs/dbraw/zinc/16/62/54/1019166254.db2.gz VZPGOKLGLPZGHO-UHFFFAOYSA-N -1 0 306.278 -0.887 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)CNC(=O)c1ccsc1 ZINC001608339882 1019166688 /nfs/dbraw/zinc/16/66/88/1019166688.db2.gz FSNMPXKDUMKHEH-SNVBAGLBSA-N -1 0 322.346 -0.056 20 0 DBADRM O=C(COC[C@@H]1CCCO1)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001608349043 1019166768 /nfs/dbraw/zinc/16/67/68/1019166768.db2.gz SFTKGRLLAQFIAY-UWVGGRQHSA-N -1 0 303.311 -0.486 20 0 DBADRM O=C([O-])[C@]1(NC(=O)CNC(=O)c2ccncc2)CCSC1 ZINC001608338961 1019166884 /nfs/dbraw/zinc/16/68/84/1019166884.db2.gz VGNRGFLQAIVMRI-ZDUSSCGKSA-N -1 0 309.347 -0.112 20 0 DBADRM O=C(COC[C@@H]1CCCO1)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001608349044 1019166989 /nfs/dbraw/zinc/16/69/89/1019166989.db2.gz SFTKGRLLAQFIAY-VHSXEESVSA-N -1 0 303.311 -0.486 20 0 DBADRM O=C(COCc1ocnc1C(=O)[O-])NCCCc1c[nH][nH]c1=O ZINC001608348674 1019167362 /nfs/dbraw/zinc/16/73/62/1019167362.db2.gz YZOQMWPDHOOBEY-QMMMGPOBSA-N -1 0 324.293 -0.482 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)c1ccncc1 ZINC001608340056 1019167468 /nfs/dbraw/zinc/16/74/68/1019167468.db2.gz HMJYKRTWANNXFJ-NSHDSACASA-N -1 0 317.305 -0.653 20 0 DBADRM O=C([O-])c1cnc(NCCNC(=O)CO[C@@H]2CCOC2)nc1 ZINC001608347321 1019167684 /nfs/dbraw/zinc/16/76/84/1019167684.db2.gz MVZXZGYNEFCZHJ-SNVBAGLBSA-N -1 0 310.310 -0.492 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001608369285 1019169008 /nfs/dbraw/zinc/16/90/08/1019169008.db2.gz KQEZDNUTHOCNHQ-SASUGWTJSA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)Cc2cncnc2)C1 ZINC001608369996 1019169067 /nfs/dbraw/zinc/16/90/67/1019169067.db2.gz QTMMCOBTQKKATO-KKOKHZNYSA-N -1 0 318.333 -0.497 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CC1C(=O)N=CNC1=O)c1cccnc1 ZINC001608357763 1019169556 /nfs/dbraw/zinc/16/95/56/1019169556.db2.gz WCUNQIDPWSRHIE-JTQLQIEISA-N -1 0 304.262 -0.233 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(NC(=O)Cc2c[nH]cn2)CCC1 ZINC001608369448 1019169567 /nfs/dbraw/zinc/16/95/67/1019169567.db2.gz ZIBGEASWVCAQQC-QWRGUYRKSA-N -1 0 320.349 -0.172 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001608369284 1019170418 /nfs/dbraw/zinc/17/04/18/1019170418.db2.gz KQEZDNUTHOCNHQ-KLHWPWHYSA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)Cc2c[nH]cn2)CCC1 ZINC001608369449 1019170685 /nfs/dbraw/zinc/17/06/85/1019170685.db2.gz ZIBGEASWVCAQQC-WDEREUQCSA-N -1 0 320.349 -0.172 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC001608363509 1019170961 /nfs/dbraw/zinc/17/09/61/1019170961.db2.gz LKAZRISUSIGRQT-VXGBXAGGSA-N -1 0 322.317 -0.903 20 0 DBADRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001608382938 1019176941 /nfs/dbraw/zinc/17/69/41/1019176941.db2.gz QDJZMDXCILYBTO-BMIGLBTASA-N -1 0 320.349 -0.153 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)Cn1nnc2ccccc2c1=O ZINC001608383534 1019176976 /nfs/dbraw/zinc/17/69/76/1019176976.db2.gz LGYZUMLNKIGGLM-ZJUUUORDSA-N -1 0 302.290 -0.229 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001608404233 1019178046 /nfs/dbraw/zinc/17/80/46/1019178046.db2.gz XYERTYWMORRYMX-CMPLNLGQSA-N -1 0 301.306 -0.343 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001608403329 1019178224 /nfs/dbraw/zinc/17/82/24/1019178224.db2.gz OSPOFQVHVIEEOE-LDYMZIIASA-N -1 0 304.310 -0.624 20 0 DBADRM O=C([O-])C1CC2(C1)C[C@@H](NC(=O)NC(CO)CO)CCS2 ZINC001608398127 1019178750 /nfs/dbraw/zinc/17/87/50/1019178750.db2.gz PFEWIXMXIRLXJE-JVVWGOMOSA-N -1 0 318.395 -0.232 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001608398133 1019178942 /nfs/dbraw/zinc/17/89/42/1019178942.db2.gz PIYTUMFQMURBSN-REWJHTLYSA-N -1 0 321.329 -0.789 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001608404226 1019179281 /nfs/dbraw/zinc/17/92/81/1019179281.db2.gz XXUAPONHTNQJHE-BXKDBHETSA-N -1 0 303.322 -0.019 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001608404110 1019179809 /nfs/dbraw/zinc/17/98/09/1019179809.db2.gz XCGREICDDILPAB-UWVGGRQHSA-N -1 0 304.310 -0.693 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)c1cncc2[nH]cnc21 ZINC001608396124 1019179861 /nfs/dbraw/zinc/17/98/61/1019179861.db2.gz KMAGWCXWMYSNSX-MRVPVSSYSA-N -1 0 306.278 -0.096 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1ccnc2[nH]cnc21 ZINC001608400581 1019180085 /nfs/dbraw/zinc/18/00/85/1019180085.db2.gz CRKFRCPWLWEQOZ-MRVPVSSYSA-N -1 0 301.266 -0.567 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cc2n(n1)CCCC2 ZINC001608401501 1019180176 /nfs/dbraw/zinc/18/01/76/1019180176.db2.gz COLUFPTUKLZNDW-LLVKDONJSA-N -1 0 304.310 -0.306 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@@H]2CCOC23CCOCC3)C1 ZINC001608413266 1019181395 /nfs/dbraw/zinc/18/13/95/1019181395.db2.gz SORGKCOKEDRGHY-SECBINFHSA-N -1 0 300.311 -0.835 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2cccnn2)c1[O-] ZINC001502817170 1019182409 /nfs/dbraw/zinc/18/24/09/1019182409.db2.gz PJQUWVZRDHNLOI-ZETCQYMHSA-N -1 0 304.310 -0.238 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC001608407463 1019182482 /nfs/dbraw/zinc/18/24/82/1019182482.db2.gz IALUJGNXYNHUEX-GWOFURMSSA-N -1 0 323.349 -0.765 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)C1 ZINC001608413087 1019182967 /nfs/dbraw/zinc/18/29/67/1019182967.db2.gz TVCURNCEHDUNHL-JOYOIKCWSA-N -1 0 316.379 -0.118 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NC2CC(F)(F)C2)C1 ZINC001608407279 1019182988 /nfs/dbraw/zinc/18/29/88/1019182988.db2.gz VSGDJQOHTUZNIC-POYBYMJQSA-N -1 0 306.265 -0.806 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C(=O)N[C@@H]3CC34CCC4)C[C@H]1COCC2 ZINC001608408298 1019183321 /nfs/dbraw/zinc/18/33/21/1019183321.db2.gz XSJGCOFPEYQTCC-LYOVBCGYSA-N -1 0 322.361 -0.005 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)c2cccc(=O)[nH]2)CC1 ZINC001608407232 1019183394 /nfs/dbraw/zinc/18/33/94/1019183394.db2.gz XKHJBODOJOIQMS-RKDXNWHRSA-N -1 0 319.317 -0.114 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)c1ccn2nnnc2c1)[C@@H]1CCOC1 ZINC001608416793 1019184327 /nfs/dbraw/zinc/18/43/27/1019184327.db2.gz FPFSBTGJSPNBEX-ZJUUUORDSA-N -1 0 305.294 -0.409 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)CNC(=O)c2ccncc2)C1 ZINC001608415098 1019184573 /nfs/dbraw/zinc/18/45/73/1019184573.db2.gz AFIZQCNRKBRIEW-MNOVXSKESA-N -1 0 307.306 -0.895 20 0 DBADRM O=C([O-])[C@H]1CCc2sc(NC(=O)NC[C@H](O)CO)nc2C1 ZINC001608425121 1019184791 /nfs/dbraw/zinc/18/47/91/1019184791.db2.gz SHLJSBFGXSWEKP-BQBZGAKWSA-N -1 0 315.351 -0.193 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccc[nH]2)C1 ZINC001608429824 1019184811 /nfs/dbraw/zinc/18/48/11/1019184811.db2.gz FXKRTUFWQVVLRI-RKDXNWHRSA-N -1 0 307.306 -0.962 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@H](O)Cn2ccnn2)cc1F ZINC001608423616 1019184972 /nfs/dbraw/zinc/18/49/72/1019184972.db2.gz CNPDKGMUOBOSCR-VIFPVBQESA-N -1 0 308.269 -0.094 20 0 DBADRM O=C([O-])[C@H](CNC(=O)c1ccn2nnnc2c1)[C@@H]1CCOC1 ZINC001608416662 1019185730 /nfs/dbraw/zinc/18/57/30/1019185730.db2.gz FPFSBTGJSPNBEX-NXEZZACHSA-N -1 0 305.294 -0.409 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC001608426774 1019185744 /nfs/dbraw/zinc/18/57/44/1019185744.db2.gz OATUFRDDYNWPCV-NEPJUHHUSA-N -1 0 312.366 -0.153 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C2CC3(CC3)C2)C1 ZINC001608429848 1019185843 /nfs/dbraw/zinc/18/58/43/1019185843.db2.gz GJMRMSQOESYNND-QWRGUYRKSA-N -1 0 322.361 -0.413 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@H](O)[C@@H]2CCCO2)n1 ZINC001608425108 1019185930 /nfs/dbraw/zinc/18/59/30/1019185930.db2.gz SCRXFAOYZJCWIN-UWVGGRQHSA-N -1 0 323.305 -0.626 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(O)(CNC(=O)C(F)F)CC1 ZINC001608430953 1019186052 /nfs/dbraw/zinc/18/60/52/1019186052.db2.gz SIXNTNHGOZWQAH-SFYZADRCSA-N -1 0 320.292 -0.558 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@@H]2CCC=CO2)C1 ZINC001608435063 1019187151 /nfs/dbraw/zinc/18/71/51/1019187151.db2.gz JGWDQRZQNCKOOK-AXFHLTTASA-N -1 0 312.322 -0.911 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)NCCC(=O)N2CCOCC2)C1 ZINC001608436374 1019187202 /nfs/dbraw/zinc/18/72/02/1019187202.db2.gz DABDQJBTZBCEPP-LLVKDONJSA-N -1 0 311.338 -0.292 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001608432380 1019187322 /nfs/dbraw/zinc/18/73/22/1019187322.db2.gz LUSPCZSXUAQTJV-RNWYCLNJSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC=C(CNC(=O)c2nnc[nH]2)CC1 ZINC001608432383 1019187998 /nfs/dbraw/zinc/18/79/98/1019187998.db2.gz LGDAEQBROZSAIY-ZJUUUORDSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001608439435 1019188250 /nfs/dbraw/zinc/18/82/50/1019188250.db2.gz UCPLYGVHVKSCQK-MNOVXSKESA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)c3cocn3)CC2)n1 ZINC001608431222 1019188358 /nfs/dbraw/zinc/18/83/58/1019188358.db2.gz WTMMUZQEALDEAB-UHFFFAOYSA-N -1 0 303.278 -0.041 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001608432378 1019189434 /nfs/dbraw/zinc/18/94/34/1019189434.db2.gz LUSPCZSXUAQTJV-RMPHRYRLSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NC[C@@H]2COC3(CCCCC3)O2)C1 ZINC001608439074 1019189531 /nfs/dbraw/zinc/18/95/31/1019189531.db2.gz PRBKEVUXMVAFGI-SNVBAGLBSA-N -1 0 314.338 -0.097 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001608437992 1019189539 /nfs/dbraw/zinc/18/95/39/1019189539.db2.gz FJZATWYAHAORRH-NXEZZACHSA-N -1 0 320.305 -0.909 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)NCCc2ccoc2)CC1 ZINC001608454588 1019190755 /nfs/dbraw/zinc/19/07/55/1019190755.db2.gz NOPCZAZTMSXUAP-GFCCVEGCSA-N -1 0 324.333 -0.378 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2csnn2)C1 ZINC001608439917 1019191076 /nfs/dbraw/zinc/19/10/76/1019191076.db2.gz ZLBZGXWWVKVUJR-JGVFFNPUSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC001608449691 1019191457 /nfs/dbraw/zinc/19/14/57/1019191457.db2.gz AOSMSVGHYAKPCS-JQWIXIFHSA-N -1 0 321.333 -0.618 20 0 DBADRM O=C(NCCN1CCC2(C1)OCCO2)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001608446072 1019191474 /nfs/dbraw/zinc/19/14/74/1019191474.db2.gz BEMDZSKPPUORGB-PHIMTYICSA-N -1 0 313.354 -0.402 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC001608459523 1019192078 /nfs/dbraw/zinc/19/20/78/1019192078.db2.gz FBELDOQMGBKFGG-QMMMGPOBSA-N -1 0 304.661 -0.021 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001608457154 1019192436 /nfs/dbraw/zinc/19/24/36/1019192436.db2.gz HKRJBDCSTIABJD-MWODSPESSA-N -1 0 302.302 -0.854 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1ccc(N2CCC(O)CC2)cc1 ZINC001608459489 1019192843 /nfs/dbraw/zinc/19/28/43/1019192843.db2.gz CMBZYUQPTPXCQD-ZDUSSCGKSA-N -1 0 308.334 -0.177 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)c2cnsn2)C1 ZINC001608461262 1019194078 /nfs/dbraw/zinc/19/40/78/1019194078.db2.gz RZDRPXXCFFXVRO-XSPKLOCKSA-N -1 0 324.362 -0.117 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001608491744 1019195659 /nfs/dbraw/zinc/19/56/59/1019195659.db2.gz OPDQQHVQDXEPIR-VFRUTBLMSA-N -1 0 306.322 -0.245 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)N1C[C@@H](CO)[C@H](CCO)C1)C2 ZINC001608492069 1019195717 /nfs/dbraw/zinc/19/57/17/1019195717.db2.gz UAVXZVFLBJMTRB-TVEHIPJCSA-N -1 0 312.366 -0.128 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001608492444 1019195997 /nfs/dbraw/zinc/19/59/97/1019195997.db2.gz GBWFMABTDFKBQC-JBDRJPRFSA-N -1 0 307.310 -0.850 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001608488488 1019196758 /nfs/dbraw/zinc/19/67/58/1019196758.db2.gz QVRMQOVUQYGGJV-POZPLHJXSA-N -1 0 308.294 -0.879 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001608491742 1019197093 /nfs/dbraw/zinc/19/70/93/1019197093.db2.gz OPDQQHVQDXEPIR-DQDDRIPDSA-N -1 0 306.322 -0.245 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1COc2ccc(O)cc2O1 ZINC001608488457 1019197272 /nfs/dbraw/zinc/19/72/72/1019197272.db2.gz MTLSPBYRFABWLB-KPXOXKRLSA-N -1 0 309.274 -0.110 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2C[C@H](NC(=O)c3cccnn3)C2)n1 ZINC001608491426 1019197672 /nfs/dbraw/zinc/19/76/72/1019197672.db2.gz GEEQFXFEGKESND-DTORHVGOSA-N -1 0 314.305 -0.240 20 0 DBADRM O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)C1CS(=O)(=O)C1 ZINC001608488280 1019197707 /nfs/dbraw/zinc/19/77/07/1019197707.db2.gz ZTMPEWMRYZZKLA-LLVKDONJSA-N -1 0 315.322 -0.018 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001608491736 1019197841 /nfs/dbraw/zinc/19/78/41/1019197841.db2.gz OPDQQHVQDXEPIR-APHKKCJPSA-N -1 0 306.322 -0.245 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@@]1(O)CCOC1)Cc1ccc(O)cc1 ZINC001608535422 1019199554 /nfs/dbraw/zinc/19/95/54/1019199554.db2.gz KYIHLTBYBLNKJH-XHDPSFHLSA-N -1 0 309.318 -0.097 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NS(=O)(=O)[C@@H]1CCOC1 ZINC001608533343 1019200084 /nfs/dbraw/zinc/20/00/84/1019200084.db2.gz BMYHNZMUKHWOLR-BDAKNGLRSA-N -1 0 309.340 -0.699 20 0 DBADRM O=C([O-])[C@@H](CC(F)(F)F)NS(=O)(=O)N1CCCOCC1 ZINC001608530372 1019200462 /nfs/dbraw/zinc/20/04/62/1019200462.db2.gz SJFXREBHRPRSCZ-SSDOTTSWSA-N -1 0 320.289 -0.051 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)CC[C@H]1CC1(Cl)Cl ZINC001608540872 1019200977 /nfs/dbraw/zinc/20/09/77/1019200977.db2.gz WESVBTHCDJZBDO-NTSWFWBYSA-N -1 0 306.167 -0.065 20 0 DBADRM O=C([O-])[C@@H](CNS(=O)(=O)C1COC1)Oc1ccc(F)cc1 ZINC001608538311 1019201180 /nfs/dbraw/zinc/20/11/80/1019201180.db2.gz IUZOUSOJZQSCMV-LLVKDONJSA-N -1 0 319.310 -0.024 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@H]1CCNC1=O)Cc1ccc(O)cc1 ZINC001608537056 1019201200 /nfs/dbraw/zinc/20/12/00/1019201200.db2.gz ORBSQIBQAKDDBX-JQWIXIFHSA-N -1 0 306.318 -0.112 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)[C@@H](O)Cc1ccccc1 ZINC001608534505 1019201697 /nfs/dbraw/zinc/20/16/97/1019201697.db2.gz DVYAFORUPFKVHF-NEPJUHHUSA-N -1 0 309.318 -0.078 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NS(=O)(=O)CCn1ccnc1 ZINC001608533303 1019202348 /nfs/dbraw/zinc/20/23/48/1019202348.db2.gz BFTYNUXPHCQXLA-VIFPVBQESA-N -1 0 319.339 -0.981 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C2(O)CCSCC2)CC1 ZINC001608554329 1019203463 /nfs/dbraw/zinc/20/34/63/1019203463.db2.gz OUSUODIHRIKCKS-JTQLQIEISA-N -1 0 303.380 -0.071 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC001608554460 1019203533 /nfs/dbraw/zinc/20/35/33/1019203533.db2.gz QGKWYMBQBJGIQD-VHSXEESVSA-N -1 0 305.352 -0.752 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)N2CCC(F)CC2)CC1 ZINC001608553999 1019205180 /nfs/dbraw/zinc/20/51/80/1019205180.db2.gz MYRIXTUHHWMLOR-LLVKDONJSA-N -1 0 316.329 -0.369 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2c[nH]nc2Cl)C1 ZINC001608601328 1019214611 /nfs/dbraw/zinc/21/46/11/1019214611.db2.gz IYEJRBSDCKPGOG-PHDIDXHHSA-N -1 0 309.731 -0.481 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2cncc(Cl)c2)C1 ZINC001608578779 1019207790 /nfs/dbraw/zinc/20/77/90/1019207790.db2.gz KXSBRQQKBXRASI-SNVBAGLBSA-N -1 0 306.727 -0.055 20 0 DBADRM O=C([O-])C1(O)CN(c2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC001608579521 1019207810 /nfs/dbraw/zinc/20/78/10/1019207810.db2.gz KVGKETRRWRIERU-UHFFFAOYSA-N -1 0 303.200 -0.221 20 0 DBADRM O=C([O-])[C@@]1(CNS(=O)(=O)N2CCCOCC2)CCOC1 ZINC001608571331 1019208339 /nfs/dbraw/zinc/20/83/39/1019208339.db2.gz XJBKBWFDKWEYKQ-LLVKDONJSA-N -1 0 308.356 -0.966 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)C[C@@H]2CCC3(CCC3)O2)C1 ZINC001608579453 1019209549 /nfs/dbraw/zinc/20/95/49/1019209549.db2.gz YDBUOWUJPZXSKA-GWCFXTLKSA-N -1 0 319.379 -0.061 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)CC[C@H]2CCOC2)CC(CO)C1 ZINC001608577166 1019210157 /nfs/dbraw/zinc/21/01/57/1019210157.db2.gz XYSXHXPXQVJKEX-GRZMOONWSA-N -1 0 307.368 -0.442 20 0 DBADRM O=C([O-])C12CC(C(=O)N3CCO[C@@H](CN4CCOCC4)C3)(C1)C2 ZINC001608581024 1019210303 /nfs/dbraw/zinc/21/03/03/1019210303.db2.gz QRFWJYIAEOPLOD-JQRITLKVSA-N -1 0 324.377 -0.199 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(Cc3cc(=O)n4[n-]ccc4n3)C2)C1 ZINC001608590177 1019211962 /nfs/dbraw/zinc/21/19/62/1019211962.db2.gz WXFBVTKCSHYBGI-AWEZNQCLSA-N -1 0 317.305 -0.172 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CCCC3(C2)OCCO3)C1 ZINC001608587801 1019213174 /nfs/dbraw/zinc/21/31/74/1019213174.db2.gz WYFYDHCEZRJBLM-NSHDSACASA-N -1 0 324.333 -0.359 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001608590536 1019213479 /nfs/dbraw/zinc/21/34/79/1019213479.db2.gz DGGCFOMRPWKRAB-UFBFGSQYSA-N -1 0 316.335 -0.747 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1ccc2c(n1)OCCO2 ZINC001608598505 1019215295 /nfs/dbraw/zinc/21/52/95/1019215295.db2.gz XIVLLUFXKDTRHX-GXSJLCMTSA-N -1 0 308.290 -0.097 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001608596851 1019216364 /nfs/dbraw/zinc/21/63/64/1019216364.db2.gz PXYICLPNKWNUCX-UWVGGRQHSA-N -1 0 318.293 -0.688 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001608597338 1019216496 /nfs/dbraw/zinc/21/64/96/1019216496.db2.gz XCVATCFJMFBNNK-JQWIXIFHSA-N -1 0 309.322 -0.335 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001608596855 1019216774 /nfs/dbraw/zinc/21/67/74/1019216774.db2.gz PXYICLPNKWNUCX-VHSXEESVSA-N -1 0 318.293 -0.688 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCCC3(CC3)C2)C1 ZINC001608601918 1019216963 /nfs/dbraw/zinc/21/69/63/1019216963.db2.gz NKKAEFLSWXBJSH-MNOVXSKESA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC[C@H](C3CC3)C2)C1 ZINC001608601456 1019217133 /nfs/dbraw/zinc/21/71/33/1019217133.db2.gz KWIVRNBAQIPVAQ-TUAOUCFPSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001608609569 1019218753 /nfs/dbraw/zinc/21/87/53/1019218753.db2.gz CDBCSIRJWSHXRB-JBDRJPRFSA-N -1 0 309.326 -0.785 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)Cc1ccc[nH]1 ZINC001608609563 1019218651 /nfs/dbraw/zinc/21/86/51/1019218651.db2.gz CARSLJDXRAVWAZ-RYUDHWBXSA-N -1 0 323.349 -0.785 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)Cn2nnc3c2CCCC3)C1 ZINC001608603540 1019218823 /nfs/dbraw/zinc/21/88/23/1019218823.db2.gz YLNWOLRUIMEXPK-ZJUUUORDSA-N -1 0 308.338 -0.549 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)Cn2cccn2)CC1 ZINC001608609611 1019219870 /nfs/dbraw/zinc/21/98/70/1019219870.db2.gz BGXQXRYKVNQBRM-NEPJUHHUSA-N -1 0 320.349 -0.335 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)Cc2ccc[nH]2)C1 ZINC001608609672 1019220237 /nfs/dbraw/zinc/22/02/37/1019220237.db2.gz COZHMNLWVKBXDJ-NWDGAFQWSA-N -1 0 305.334 -0.148 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2n[nH]cc2F)CC1 ZINC001608610220 1019220959 /nfs/dbraw/zinc/22/09/59/1019220959.db2.gz HCJMIXWPIAATJW-JGVFFNPUSA-N -1 0 310.285 -0.446 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ncccn3)C[C@H]21 ZINC001608610186 1019222138 /nfs/dbraw/zinc/22/21/38/1019222138.db2.gz IHIHXNHVAMSFTR-OQEOFVATSA-N -1 0 302.334 -0.256 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)CCCC2CC2)C1 ZINC001608610269 1019222227 /nfs/dbraw/zinc/22/22/27/1019222227.db2.gz HRKSEQHZXYIWTK-RYUDHWBXSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)CCCC2CC2)C1 ZINC001608610270 1019222377 /nfs/dbraw/zinc/22/23/77/1019222377.db2.gz HRKSEQHZXYIWTK-VXGBXAGGSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)C2=COCCO2)CC1 ZINC001608610676 1019223388 /nfs/dbraw/zinc/22/33/88/1019223388.db2.gz KQCXNCOKYHGLCY-MNOVXSKESA-N -1 0 324.333 -0.344 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2ccncc2F)C1 ZINC001608611899 1019224158 /nfs/dbraw/zinc/22/41/58/1019224158.db2.gz RURVJBDBNHFYRC-ZJUUUORDSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)C=C2CCC2)C1 ZINC001608611003 1019224465 /nfs/dbraw/zinc/22/44/65/1019224465.db2.gz MPEWEWWGIMKVJQ-MNOVXSKESA-N -1 0 308.334 -0.493 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)Cn2ccnc2)CC1 ZINC001608611113 1019224843 /nfs/dbraw/zinc/22/48/43/1019224843.db2.gz NMKMQOBLNVGCIM-NWDGAFQWSA-N -1 0 320.349 -0.335 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001608611852 1019225232 /nfs/dbraw/zinc/22/52/32/1019225232.db2.gz RTFGUEKBTODOGZ-GHMZBOCLSA-N -1 0 320.349 -0.266 20 0 DBADRM O=C([O-])C1CC2(C1)CN(C(=O)[C@@]1(F)CC[NH2+]C1)C[C@@H]2C(=O)[O-] ZINC001608611839 1019225974 /nfs/dbraw/zinc/22/59/74/1019225974.db2.gz VKYXSJZVBDFATN-FZQLYCPYSA-N -1 0 314.313 -0.288 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC2(CN(C(=O)c3cn[nH]c3)C2)C1 ZINC001608611195 1019226342 /nfs/dbraw/zinc/22/63/42/1019226342.db2.gz NVABUFBJAWQYAQ-GHMZBOCLSA-N -1 0 318.333 -0.195 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)c2cnsn2)CC1 ZINC001608611202 1019226534 /nfs/dbraw/zinc/22/65/34/1019226534.db2.gz NVLMNLPLDOQNNN-IUCAKERBSA-N -1 0 324.362 -0.067 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001608612422 1019228007 /nfs/dbraw/zinc/22/80/07/1019228007.db2.gz VSOVUICAMQCSRN-RKDXNWHRSA-N -1 0 320.305 -0.909 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]2C(=O)N(C[C@H]3CCCNC3=O)C(=O)N2C1 ZINC001608620914 1019228038 /nfs/dbraw/zinc/22/80/38/1019228038.db2.gz VSANGCJRPRBPAS-OPRDCNLKSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001608612713 1019228105 /nfs/dbraw/zinc/22/81/05/1019228105.db2.gz ZGRAMJUYKALSJN-VHSXEESVSA-N -1 0 318.333 -0.052 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)Cc2cccnc2)C1 ZINC001608612037 1019228404 /nfs/dbraw/zinc/22/84/04/1019228404.db2.gz SGVGUDGRDYEGNJ-CHWSQXEVSA-N -1 0 317.345 -0.081 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001608612421 1019228560 /nfs/dbraw/zinc/22/85/60/1019228560.db2.gz VSOVUICAMQCSRN-IUCAKERBSA-N -1 0 320.305 -0.909 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CCN(C(=O)c2cnon2)CC1 ZINC001608612715 1019229042 /nfs/dbraw/zinc/22/90/42/1019229042.db2.gz ZGSXZUAEARFBNY-NXEZZACHSA-N -1 0 322.321 -0.241 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)CC2CCC2)C1 ZINC001608612263 1019229218 /nfs/dbraw/zinc/22/92/18/1019229218.db2.gz UHOOCVZPTGACNZ-QWRGUYRKSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001608612103 1019229624 /nfs/dbraw/zinc/22/96/24/1019229624.db2.gz STOYCEQXSQWSSQ-BDAKNGLRSA-N -1 0 319.321 -0.800 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CCN(C(=O)c2cnon2)CC1 ZINC001608612716 1019229732 /nfs/dbraw/zinc/22/97/32/1019229732.db2.gz ZGSXZUAEARFBNY-UWVGGRQHSA-N -1 0 322.321 -0.241 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCSC[C@H]2CO)C1=O ZINC001608628659 1019231201 /nfs/dbraw/zinc/23/12/01/1019231201.db2.gz HFEWDUVYVMPRKA-ZJUUUORDSA-N -1 0 316.379 -0.754 20 0 DBADRM O=C([O-])C1CCN(C(=O)NCCCn2ccc(=O)[nH]c2=O)CC1 ZINC001608632409 1019231472 /nfs/dbraw/zinc/23/14/72/1019231472.db2.gz ODHCRNSGCFAJIS-UHFFFAOYSA-N -1 0 324.337 -0.155 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCO[C@H](CCF)C2)C1=O ZINC001608629828 1019231721 /nfs/dbraw/zinc/23/17/21/1019231721.db2.gz SYSXRZBBRIAAMR-GHMZBOCLSA-N -1 0 316.329 -0.103 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1=O ZINC001608628797 1019232441 /nfs/dbraw/zinc/23/24/41/1019232441.db2.gz IDGFSOAKGZOIJQ-YFKTTZPYSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@H](CO)[C@H](O)C1 ZINC001608626199 1019232779 /nfs/dbraw/zinc/23/27/79/1019232779.db2.gz HIJPDXGGIFRELN-DBIOUOCHSA-N -1 0 307.368 -0.755 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1(C)CC1 ZINC001503050274 1019233295 /nfs/dbraw/zinc/23/32/95/1019233295.db2.gz CWSFKUZMJGEUHJ-QMMMGPOBSA-N -1 0 308.338 -0.480 20 0 DBADRM O=C([O-])[C@@H]1CCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC001608639014 1019233443 /nfs/dbraw/zinc/23/34/43/1019233443.db2.gz MXGDDIOJOUFDLW-VIFPVBQESA-N -1 0 324.314 -0.483 20 0 DBADRM O=C([O-])[C@H]1CCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC001608639013 1019233600 /nfs/dbraw/zinc/23/36/00/1019233600.db2.gz MXGDDIOJOUFDLW-SECBINFHSA-N -1 0 324.314 -0.483 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2C[C@@H]2CC[C@H](C3CC3)O2)CCO1 ZINC001608646106 1019233697 /nfs/dbraw/zinc/23/36/97/1019233697.db2.gz IDXLFGNKVZXQGY-TUAOUCFPSA-N -1 0 323.353 -0.080 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2CCC2CCOCC2)CCO1 ZINC001608646262 1019233965 /nfs/dbraw/zinc/23/39/65/1019233965.db2.gz JRJBZYNNVADCLZ-LLVKDONJSA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2C[C@@H]2C[C@@H]3CCC[C@H]3O2)CCO1 ZINC001608646587 1019233990 /nfs/dbraw/zinc/23/39/90/1019233990.db2.gz NCNIOXBJTHLYDP-YFKTTZPYSA-N -1 0 323.353 -0.080 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CCCN1CCOC1=O ZINC001608648136 1019235271 /nfs/dbraw/zinc/23/52/71/1019235271.db2.gz OZTQTQKOAOQHIH-SECBINFHSA-N -1 0 306.340 -0.988 20 0 DBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1cnc2n1CCCC2 ZINC001608647598 1019236064 /nfs/dbraw/zinc/23/60/64/1019236064.db2.gz IMPRTXPTJQQJDJ-SECBINFHSA-N -1 0 315.351 -0.307 20 0 DBADRM O=C([O-])C[C@H](NC(=O)CN1C(=O)CNC1=O)c1ccncc1 ZINC001608670362 1019236815 /nfs/dbraw/zinc/23/68/15/1019236815.db2.gz BIEUFDURJFYHGQ-VIFPVBQESA-N -1 0 306.278 -0.735 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)C(=O)N1CCC[C@H]1CCO)C1CC1 ZINC001608664881 1019236844 /nfs/dbraw/zinc/23/68/44/1019236844.db2.gz NDECOMNKHYFDAM-NEPJUHHUSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC001608675095 1019236962 /nfs/dbraw/zinc/23/69/62/1019236962.db2.gz FVRANLZHPGHZSX-VIFPVBQESA-N -1 0 306.282 -0.381 20 0 DBADRM O=C([O-])/C=C/c1ccc(C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)o1 ZINC001608656870 1019237661 /nfs/dbraw/zinc/23/76/61/1019237661.db2.gz CTHIKGJHQZOCOV-HDMKULJXSA-N -1 0 320.301 -0.300 20 0 DBADRM O=C([O-])CC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC001608664441 1019237732 /nfs/dbraw/zinc/23/77/32/1019237732.db2.gz VIBIXANELAVOTL-SNVBAGLBSA-N -1 0 322.317 -0.098 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC001608674974 1019238192 /nfs/dbraw/zinc/23/81/92/1019238192.db2.gz AIWBSJGXFHSFFH-BLLLJJGKSA-N -1 0 320.345 -0.214 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)CN1C(=O)CCc2ccccc21 ZINC001608675332 1019238506 /nfs/dbraw/zinc/23/85/06/1019238506.db2.gz FDONVDIWTSQMOV-LLVKDONJSA-N -1 0 306.318 -0.082 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC001608674913 1019238589 /nfs/dbraw/zinc/23/85/89/1019238589.db2.gz CTIVDVFJEZJVNP-NXEZZACHSA-N -1 0 312.326 -0.123 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Nc1cccnc1-n1cncn1 ZINC001608676047 1019239437 /nfs/dbraw/zinc/23/94/37/1019239437.db2.gz URAAQJXKMSVOMX-QMMMGPOBSA-N -1 0 306.282 -0.381 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)C2CC3(C2)CS(=O)(=O)C3)CCOC1 ZINC001608682876 1019239455 /nfs/dbraw/zinc/23/94/55/1019239455.db2.gz OTYGMJNENDGDND-CYBMUJFWSA-N -1 0 317.363 -0.439 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)CCN2CCOCC2)CCCOC1 ZINC001608683163 1019240719 /nfs/dbraw/zinc/24/07/19/1019240719.db2.gz ICWIWSZNUZIQAM-AWEZNQCLSA-N -1 0 300.355 -0.151 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC001608681289 1019240766 /nfs/dbraw/zinc/24/07/66/1019240766.db2.gz NMDZHWOMSFRBHM-VWYCJHECSA-N -1 0 319.379 -0.035 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)COCc1cc[nH]c(=O)c1 ZINC001608689264 1019242251 /nfs/dbraw/zinc/24/22/51/1019242251.db2.gz ANPPUZOQGIXQHS-JTQLQIEISA-N -1 0 323.305 -0.895 20 0 DBADRM O=C([O-])CC1CC(NC(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC001608691449 1019243272 /nfs/dbraw/zinc/24/32/72/1019243272.db2.gz KHHMSHNGUFRGIM-UHFFFAOYSA-N -1 0 309.326 -0.308 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001608696384 1019245411 /nfs/dbraw/zinc/24/54/11/1019245411.db2.gz VRYZHUBVIWZDBZ-RKDXNWHRSA-N -1 0 323.309 -0.534 20 0 DBADRM O=C([O-])CC1CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001608697440 1019245473 /nfs/dbraw/zinc/24/54/73/1019245473.db2.gz BTYQTQGUBZMTDU-UHFFFAOYSA-N -1 0 319.321 -0.396 20 0 DBADRM O=C([O-])COCCOCCNC(=O)C1(N2CCOCC2)CC1 ZINC001574731840 1019246042 /nfs/dbraw/zinc/24/60/42/1019246042.db2.gz XPWRDYDWCSVFTG-UHFFFAOYSA-N -1 0 316.354 -0.915 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC001608699323 1019245853 /nfs/dbraw/zinc/24/58/53/1019245853.db2.gz JPHHFOLAUIPXAI-WDEREUQCSA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])CC1CC(n2nnnc2N2CCN(C3CC3)C(=O)C2)C1 ZINC001608693266 1019246160 /nfs/dbraw/zinc/24/61/60/1019246160.db2.gz AXVCEUQUOSKVLM-UHFFFAOYSA-N -1 0 320.353 -0.090 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001608696382 1019246381 /nfs/dbraw/zinc/24/63/81/1019246381.db2.gz VRYZHUBVIWZDBZ-DTWKUNHWSA-N -1 0 323.309 -0.534 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC001608698727 1019246623 /nfs/dbraw/zinc/24/66/23/1019246623.db2.gz MMKMXXYRWKZIAM-OUAUKWLOSA-N -1 0 312.322 -0.922 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCc2cnc3n2CCOC3)CCO1 ZINC001608699960 1019246655 /nfs/dbraw/zinc/24/66/55/1019246655.db2.gz QWILQLRRMYMRIM-LLVKDONJSA-N -1 0 324.337 -0.202 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001608701415 1019247174 /nfs/dbraw/zinc/24/71/74/1019247174.db2.gz AZXRIZZSROTLDU-NXEZZACHSA-N -1 0 322.321 -0.535 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)CCn1cccn1 ZINC001608702434 1019247596 /nfs/dbraw/zinc/24/75/96/1019247596.db2.gz MVOZNNIBVSALEA-SNVBAGLBSA-N -1 0 303.340 -0.612 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)CNC(=O)c1ccncc1 ZINC001608701279 1019247964 /nfs/dbraw/zinc/24/79/64/1019247964.db2.gz VQGGDRMZVJJCSB-LLVKDONJSA-N -1 0 307.306 -0.487 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1CN1C(=O)CC12CCC2 ZINC001608702867 1019248087 /nfs/dbraw/zinc/24/80/87/1019248087.db2.gz CAVNNRFPUXSRIV-JTQLQIEISA-N -1 0 316.379 -0.327 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCCc2n[nH]cc21 ZINC001574729933 1019248309 /nfs/dbraw/zinc/24/83/09/1019248309.db2.gz LNLOGQDMPAHBHM-UHFFFAOYSA-N -1 0 312.326 -0.010 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1cnn2ncccc12 ZINC001574729124 1019248328 /nfs/dbraw/zinc/24/83/28/1019248328.db2.gz DZEBWURLCGBKFP-UHFFFAOYSA-N -1 0 308.294 -0.423 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C[C@@H](O)CC1(O)CCOCC1 ZINC001608701343 1019248512 /nfs/dbraw/zinc/24/85/12/1019248512.db2.gz YXGJTLFIFMHQCB-NEPJUHHUSA-N -1 0 303.355 -0.546 20 0 DBADRM O=C([O-])C[C@@H]1CN(c2nnnn2CCCOC(F)F)CCO1 ZINC001608702075 1019248700 /nfs/dbraw/zinc/24/87/00/1019248700.db2.gz YTVRTGKEKHIPEN-MRVPVSSYSA-N -1 0 321.284 -0.018 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1ncc[nH]1 ZINC001608703372 1019248854 /nfs/dbraw/zinc/24/88/54/1019248854.db2.gz SSPZQEDZGIJGGZ-SECBINFHSA-N -1 0 315.351 -0.557 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CCO[C@H](Cn3ccnn3)C2)C1=O ZINC001608722925 1019249584 /nfs/dbraw/zinc/24/95/84/1019249584.db2.gz DHZJXUUVBPIWBC-RYUDHWBXSA-N -1 0 323.353 -0.946 20 0 DBADRM O=C([O-])CCCNC(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001608714577 1019250221 /nfs/dbraw/zinc/25/02/21/1019250221.db2.gz NISBIWQBKDFJPN-ZJUUUORDSA-N -1 0 304.368 -0.073 20 0 DBADRM O=C([O-])CCCCNC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001608713136 1019250487 /nfs/dbraw/zinc/25/04/87/1019250487.db2.gz UWQAGSUEBUAIFB-MRVPVSSYSA-N -1 0 311.298 -0.629 20 0 DBADRM O=C([O-])CCCONC(=O)CCN1C(=O)CCNC1=S ZINC001608716338 1019251107 /nfs/dbraw/zinc/25/11/07/1019251107.db2.gz IDGBSVGEVHTGIY-UHFFFAOYSA-N -1 0 303.340 -0.604 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](OC(=O)CCc2nnc[nH]2)C1=O ZINC001608725491 1019252723 /nfs/dbraw/zinc/25/27/23/1019252723.db2.gz NFQQKCPWXIRYTR-SECBINFHSA-N -1 0 310.310 -0.254 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H](COCc1ccccc1)C(=O)[O-] ZINC001574798261 1019253918 /nfs/dbraw/zinc/25/39/18/1019253918.db2.gz TUTLECAADMEDFD-GRYCIOLGSA-N -1 0 306.318 -0.106 20 0 DBADRM Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)N[C@H](CO)C(=O)[O-] ZINC001574783010 1019254669 /nfs/dbraw/zinc/25/46/69/1019254669.db2.gz UOWRPMKXJYDFGZ-MRVPVSSYSA-N -1 0 313.310 -0.449 20 0 DBADRM O=C([O-])CC[C@H]1NC(=O)N(CCCCN2CCOCC2)C1=O ZINC001608737391 1019255795 /nfs/dbraw/zinc/25/57/95/1019255795.db2.gz ZYTVOLMDSOCCPK-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC001608727789 1019255848 /nfs/dbraw/zinc/25/58/48/1019255848.db2.gz DAUDSGOBCQCSPE-VIFPVBQESA-N -1 0 323.353 -0.453 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@H]1COC[C@H]1C1CC1 ZINC001608728048 1019256293 /nfs/dbraw/zinc/25/62/93/1019256293.db2.gz OIGZPUILIGLHLO-QWRGUYRKSA-N -1 0 313.354 -0.308 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCN(c3nc[nH]n3)CC2)O1 ZINC001608735904 1019257272 /nfs/dbraw/zinc/25/72/72/1019257272.db2.gz CEYHBOIWSPYQNJ-WDEREUQCSA-N -1 0 323.353 -0.134 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCN(CCc2ccncc2)CC1 ZINC001608729286 1019257339 /nfs/dbraw/zinc/25/73/39/1019257339.db2.gz OITMATIXRSQEAY-UHFFFAOYSA-N -1 0 320.393 -0.167 20 0 DBADRM O=C([O-])CCSCCNC(=O)CN1CCC(=O)NC1=O ZINC001608733136 1019257572 /nfs/dbraw/zinc/25/75/72/1019257572.db2.gz FMERRRNBWIQLOL-UHFFFAOYSA-N -1 0 303.340 -0.748 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1ccnc2ccnn21 ZINC001608750210 1019260849 /nfs/dbraw/zinc/26/08/49/1019260849.db2.gz CCJQBGSPHHHOFE-VIFPVBQESA-N -1 0 317.305 -0.465 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc[n+]([O-])c1 ZINC001608749966 1019261090 /nfs/dbraw/zinc/26/10/90/1019261090.db2.gz AWTQYQQNDPCXDM-SNVBAGLBSA-N -1 0 308.294 -0.483 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1nn2c(c1Br)CCC2 ZINC001574813618 1019261957 /nfs/dbraw/zinc/26/19/57/1019261957.db2.gz QBZHYFNXJMRBLM-RXMQYKEDSA-N -1 0 318.127 -0.233 20 0 DBADRM O=C([O-])CN1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC001608749344 1019261844 /nfs/dbraw/zinc/26/18/44/1019261844.db2.gz ZILGPNSBJRCLPV-UHFFFAOYSA-N -1 0 305.294 -0.494 20 0 DBADRM O=C([O-])CN(CCC(F)(F)F)C(=O)CCNC(=O)CO ZINC001608744753 1019262079 /nfs/dbraw/zinc/26/20/79/1019262079.db2.gz XYXOSAOHKWXNPT-UHFFFAOYSA-N -1 0 300.233 -0.649 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(F)c1 ZINC001608752712 1019263437 /nfs/dbraw/zinc/26/34/37/1019263437.db2.gz LIZNOMYLIQKIFS-UHFFFAOYSA-N -1 0 324.717 -0.042 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O ZINC001608752058 1019263456 /nfs/dbraw/zinc/26/34/56/1019263456.db2.gz JXBOVLGNPAQFQJ-WDEREUQCSA-N -1 0 320.301 -0.392 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)C[C@@H]1CCC(=O)NC1 ZINC001608750515 1019263501 /nfs/dbraw/zinc/26/35/01/1019263501.db2.gz LJXHYUXRNKGCNG-VHSXEESVSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1csc(-c2ncccn2)n1 ZINC001608752586 1019264124 /nfs/dbraw/zinc/26/41/24/1019264124.db2.gz DCNMHDSATRXSIY-UHFFFAOYSA-N -1 0 321.318 -0.469 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1ccn2nccc2n1 ZINC001608751742 1019264233 /nfs/dbraw/zinc/26/42/33/1019264233.db2.gz XZSAUXPIFMCDFH-SNVBAGLBSA-N -1 0 317.305 -0.465 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1cnc2cc(F)c(F)cc2c1O ZINC001574812494 1019264295 /nfs/dbraw/zinc/26/42/95/1019264295.db2.gz LNHJKXWPFXOMEA-JTQLQIEISA-N -1 0 312.228 -0.018 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)C[C@@H](n1cccn1)C(F)(F)F ZINC001608752286 1019264672 /nfs/dbraw/zinc/26/46/72/1019264672.db2.gz WHBXQKBBIRBQOA-SSDOTTSWSA-N -1 0 322.243 -0.306 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc2c([nH]c1=O)CCC[C@H]2O ZINC001608753063 1019266106 /nfs/dbraw/zinc/26/61/06/1019266106.db2.gz GWYFCXKVKIXNIK-SNVBAGLBSA-N -1 0 323.305 -0.913 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC001608753508 1019266177 /nfs/dbraw/zinc/26/61/77/1019266177.db2.gz RYEYBIYHFJDUKU-UHFFFAOYSA-N -1 0 321.289 -0.212 20 0 DBADRM O=C([O-])COCCNC(=O)CNC(=O)Cc1ccc(O)cc1 ZINC001608757190 1019266485 /nfs/dbraw/zinc/26/64/85/1019266485.db2.gz FQCKJLXHRFSFOM-UHFFFAOYSA-N -1 0 310.306 -0.732 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1ccc(OC2COC2)cc1 ZINC001608753165 1019268148 /nfs/dbraw/zinc/26/81/48/1019268148.db2.gz OGHHGAOYEGGCLU-UHFFFAOYSA-N -1 0 323.305 -0.214 20 0 DBADRM O=C([O-])COCC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001608756560 1019268744 /nfs/dbraw/zinc/26/87/44/1019268744.db2.gz PXGMONRGHDRLIV-SECBINFHSA-N -1 0 313.331 -0.225 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001608757391 1019268770 /nfs/dbraw/zinc/26/87/70/1019268770.db2.gz XVFUWOAEMSNOFO-SNVBAGLBSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N[C@H]2C[C@H](O)C2)c1 ZINC001608764348 1019269623 /nfs/dbraw/zinc/26/96/23/1019269623.db2.gz UHHZWHHJDWWCKS-MGCOHNPYSA-N -1 0 308.290 -0.272 20 0 DBADRM O=C([O-])CSCCNC(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC001608767744 1019270536 /nfs/dbraw/zinc/27/05/36/1019270536.db2.gz OGCOIWVKAWDEOU-LLVKDONJSA-N -1 0 317.411 -0.080 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)CCn2cc[nH]c(=O)c2=O)n1 ZINC001608785413 1019271331 /nfs/dbraw/zinc/27/13/31/1019271331.db2.gz QPALDPWQAJXRGP-UHFFFAOYSA-N -1 0 318.289 -0.413 20 0 DBADRM O=C([O-])CSCCNC(=O)NCc1nnnn1CC1CC1 ZINC001608767812 1019271508 /nfs/dbraw/zinc/27/15/08/1019271508.db2.gz SSLHVFJLNSVNPJ-UHFFFAOYSA-N -1 0 314.371 -0.300 20 0 DBADRM C=C/C(C)=C/CC(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001505377081 1019272082 /nfs/dbraw/zinc/27/20/82/1019272082.db2.gz XTKWZJQBHHMGGJ-CYNRKNSPSA-N -1 0 323.353 -0.167 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)CN2CCNC(=O)C2)cc1F ZINC001608779280 1019272056 /nfs/dbraw/zinc/27/20/56/1019272056.db2.gz OJDAMDXOHRVJDD-UHFFFAOYSA-N -1 0 309.297 -0.177 20 0 DBADRM O=C([O-])Cc1ccc(CNC(=O)CN2CCOCC2=O)cc1 ZINC001608777159 1019272368 /nfs/dbraw/zinc/27/23/68/1019272368.db2.gz VZUILVHCVNPOJZ-UHFFFAOYSA-N -1 0 306.318 -0.211 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001608788804 1019272533 /nfs/dbraw/zinc/27/25/33/1019272533.db2.gz GTJIQJARAFCIHB-LLVKDONJSA-N -1 0 304.302 -0.017 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)[C@H](O)c2cccnc2)nn1 ZINC001608796799 1019273243 /nfs/dbraw/zinc/27/32/43/1019273243.db2.gz UBXHQTAUGXOSEE-GFCCVEGCSA-N -1 0 306.278 -0.423 20 0 DBADRM O=C([O-])Cc1occc1C(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001608794372 1019273268 /nfs/dbraw/zinc/27/32/68/1019273268.db2.gz XXFYWABGIKMVLA-UHFFFAOYSA-N -1 0 321.289 -0.011 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2CO[C@@H](C3CC3)C2)cn1 ZINC001608798157 1019275442 /nfs/dbraw/zinc/27/54/42/1019275442.db2.gz NCLPHYRQAAWLBO-MWLCHTKSSA-N -1 0 315.351 -0.187 20 0 DBADRM O=C([O-])Cn1cc(CN2CC[C@@H](Nc3ncccn3)C2)nn1 ZINC001608797270 1019276712 /nfs/dbraw/zinc/27/67/12/1019276712.db2.gz YPYHMYXYISOJBR-SNVBAGLBSA-N -1 0 303.326 -0.161 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H](CO)CC2CC2)cn1 ZINC001608798374 1019277675 /nfs/dbraw/zinc/27/76/75/1019277675.db2.gz ZXPDENJFWILSMA-VIFPVBQESA-N -1 0 303.340 -0.593 20 0 DBADRM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001608801900 1019278457 /nfs/dbraw/zinc/27/84/57/1019278457.db2.gz HQVNGQJSYHSAQQ-BQBZGAKWSA-N -1 0 316.264 -0.133 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)c2cnc3c(c2)NC(=O)CO3)n1 ZINC001608799393 1019278765 /nfs/dbraw/zinc/27/87/65/1019278765.db2.gz LLURHRCQTALOAR-UHFFFAOYSA-N -1 0 317.261 -0.054 20 0 DBADRM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001608801901 1019279337 /nfs/dbraw/zinc/27/93/37/1019279337.db2.gz HQVNGQJSYHSAQQ-RQJHMYQMSA-N -1 0 316.264 -0.133 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2CN2CCOCC2)O1 ZINC001608803911 1019279911 /nfs/dbraw/zinc/27/99/11/1019279911.db2.gz WPBPUMWSVPFVER-XQQFMLRXSA-N -1 0 312.366 -0.058 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1Cc1cnns1 ZINC001608813090 1019280948 /nfs/dbraw/zinc/28/09/48/1019280948.db2.gz MXTJNFYTBCGACZ-XPUUQOCRSA-N -1 0 311.323 -0.883 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)Cn1nnnc1-c1ccccc1 ZINC001608810122 1019280970 /nfs/dbraw/zinc/28/09/70/1019280970.db2.gz HHZGICKHUZNGHT-MNOVXSKESA-N -1 0 317.305 -0.614 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)C12CC(C1)C2 ZINC001608813539 1019281508 /nfs/dbraw/zinc/28/15/08/1019281508.db2.gz WRIDYAXCOZWRJC-SBPVCVGVSA-N -1 0 307.306 -0.608 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCC1CCOCC1 ZINC001608815706 1019281645 /nfs/dbraw/zinc/28/16/45/1019281645.db2.gz URWMXYDCBVHVRS-WDEREUQCSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC001608810782 1019281667 /nfs/dbraw/zinc/28/16/67/1019281667.db2.gz DMEXSBAOPZRGOW-SGIHWFKDSA-N -1 0 303.336 -0.878 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](C2OCCO2)C1 ZINC001608814174 1019282072 /nfs/dbraw/zinc/28/20/72/1019282072.db2.gz CIPHVQBWMIXRGP-GMTAPVOTSA-N -1 0 314.338 -0.120 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N(CCO)CCN1CCOCC1 ZINC001608810888 1019283757 /nfs/dbraw/zinc/28/37/57/1019283757.db2.gz NJRPLMPJWUZNNY-VXGBXAGGSA-N -1 0 315.370 -0.957 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NCc1nnnn1CC1CCOCC1 ZINC001608815755 1019283773 /nfs/dbraw/zinc/28/37/73/1019283773.db2.gz YVQZKJJIAXQUPW-CMPLNLGQSA-N -1 0 311.342 -0.569 20 0 DBADRM O=C([O-])c1c(OCCO)n[nH]c1NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001608830759 1019284506 /nfs/dbraw/zinc/28/45/06/1019284506.db2.gz ZMSSESNRTLUWOX-LPBLVHEISA-N -1 0 309.278 -0.357 20 0 DBADRM O=C([O-])c1c[nH]c(=O)c(NC(=O)[C@@]2(F)CCS(=O)(=O)C2)c1 ZINC001608831539 1019284668 /nfs/dbraw/zinc/28/46/68/1019284668.db2.gz JFBQUXREJQSYIB-LLVKDONJSA-N -1 0 318.282 -0.049 20 0 DBADRM O=C([O-])c1c(F)cccc1S(=O)(=O)NCCn1ncnn1 ZINC001608829365 1019284907 /nfs/dbraw/zinc/28/49/07/1019284907.db2.gz UFDQWVQTAGEEBB-UHFFFAOYSA-N -1 0 315.286 -0.511 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001608823440 1019285068 /nfs/dbraw/zinc/28/50/68/1019285068.db2.gz RTTVUIWSORHOET-CHWFTXMASA-N -1 0 324.333 -0.792 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@@H](CO)C[C@@H]2CCCO2)C1 ZINC001608824471 1019285155 /nfs/dbraw/zinc/28/51/55/1019285155.db2.gz WSMCAFYQJWFKGF-ZNSHCXBVSA-N -1 0 307.368 -0.301 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC[C@H](O)COCC2CC2)C1 ZINC001608824307 1019285181 /nfs/dbraw/zinc/28/51/81/1019285181.db2.gz QDERZJLQNZOCTF-GARJFASQSA-N -1 0 307.368 -0.444 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC001608823863 1019285309 /nfs/dbraw/zinc/28/53/09/1019285309.db2.gz XGSBZGGFPWMZCI-IJLUTSLNSA-N -1 0 322.317 -0.091 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(c3nnnn3C[C@@H]3C[C@@H]4COC[C@@H]4O3)C[C@@H]21 ZINC001608817220 1019285325 /nfs/dbraw/zinc/28/53/25/1019285325.db2.gz GPTSFBUVMVVKAS-NAFSEIKSSA-N -1 0 321.337 -0.756 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](C(=O)NCCS(=O)(=O)NCC2CCC2)C1 ZINC001608821313 1019285755 /nfs/dbraw/zinc/28/57/55/1019285755.db2.gz MYKODBDKIDYLAH-PHIMTYICSA-N -1 0 318.395 -0.067 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCc2nnnn2CC2CC2)C1 ZINC001608824159 1019286419 /nfs/dbraw/zinc/28/64/19/1019286419.db2.gz LASLRWZYYUFEOX-DTORHVGOSA-N -1 0 315.355 -0.634 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(c3nnnn3CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC001608817145 1019286583 /nfs/dbraw/zinc/28/65/83/1019286583.db2.gz BIUJBXKQPKJKMG-NNYUYHANSA-N -1 0 323.353 -0.365 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)Cc1nnc(C2CCOCC2)[nH]1 ZINC001608823407 1019287002 /nfs/dbraw/zinc/28/70/02/1019287002.db2.gz PVMPVEXUGLUKAQ-NXEZZACHSA-N -1 0 324.337 -0.712 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC2(n3cccn3)CC2)n[nH]1 ZINC001608861092 1019288308 /nfs/dbraw/zinc/28/83/08/1019288308.db2.gz PIDAORHHNNQTDN-UHFFFAOYSA-N -1 0 311.323 -0.228 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H](O)COCC2CC2)n[nH]1 ZINC001608861053 1019288727 /nfs/dbraw/zinc/28/87/27/1019288727.db2.gz NGUDCRSSAVQFAZ-QMMMGPOBSA-N -1 0 319.339 -0.826 20 0 DBADRM O=C([O-])c1cc(C2CN(C(=O)NCCN3CCCC3=O)C2)[nH]n1 ZINC001608840372 1019290099 /nfs/dbraw/zinc/29/00/99/1019290099.db2.gz RJUIKOLRNGKPOJ-UHFFFAOYSA-N -1 0 321.337 -0.161 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H](OCCO)C2)n[nH]1 ZINC001608859141 1019290902 /nfs/dbraw/zinc/29/09/02/1019290902.db2.gz DLPVRMPRYNUPBT-QMMMGPOBSA-N -1 0 319.339 -0.730 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCc2nc3ncccn3n2)c[nH]1 ZINC001608862008 1019292024 /nfs/dbraw/zinc/29/20/24/1019292024.db2.gz GMSVURRDHQYRDT-UHFFFAOYSA-N -1 0 322.306 -0.371 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1(C)CC=CC1 ZINC001505406627 1019292426 /nfs/dbraw/zinc/29/24/26/1019292426.db2.gz AGQFEQXNXHTWDZ-VIFPVBQESA-N -1 0 323.353 -0.334 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2COC[C@H]2O)oc1Cl ZINC001608862229 1019293247 /nfs/dbraw/zinc/29/32/47/1019293247.db2.gz BGKHIVRKQGSHLU-PHDIDXHHSA-N -1 0 311.699 -0.331 20 0 DBADRM O=C([O-])CNS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC001574892748 1019293692 /nfs/dbraw/zinc/29/36/92/1019293692.db2.gz IRNAYYVLRFGHSG-UHFFFAOYSA-N -1 0 305.333 -0.522 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1F ZINC001608873056 1019293985 /nfs/dbraw/zinc/29/39/85/1019293985.db2.gz IFMODHQYJOOHTA-SNVBAGLBSA-N -1 0 321.264 -0.100 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCc2cnc3n2CCC3)n[nH]1 ZINC001608862000 1019294432 /nfs/dbraw/zinc/29/44/32/1019294432.db2.gz FUZPSCSNWMQQHN-UHFFFAOYSA-N -1 0 311.323 -0.271 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)cn1 ZINC001608883884 1019294632 /nfs/dbraw/zinc/29/46/32/1019294632.db2.gz KKRQOGIHDVSDJL-SECBINFHSA-N -1 0 317.305 -0.044 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCC2CS(=O)(=O)C2)o1 ZINC001608912678 1019295816 /nfs/dbraw/zinc/29/58/16/1019295816.db2.gz ZADBCFXKNAKTFK-UHFFFAOYSA-N -1 0 323.348 -0.309 20 0 DBADRM O=C([O-])c1cccc(C(=O)NC[C@]2(OCCO)CCOC2)n1 ZINC001608929128 1019295841 /nfs/dbraw/zinc/29/58/41/1019295841.db2.gz XQRBUUPQYIGYED-CQSZACIVSA-N -1 0 310.306 -0.322 20 0 DBADRM C[C@H](CNC(=O)CC(C)(C)O)Nc1nccnc1-c1nn[nH]n1 ZINC001574886468 1019296171 /nfs/dbraw/zinc/29/61/71/1019296171.db2.gz SEUFTDXZTHAODK-MRVPVSSYSA-N -1 0 320.357 -0.266 20 0 DBADRM O=C([O-])c1ccc2c(c1)CN(S(=O)(=O)[C@@H]1COC[C@H]1O)C2 ZINC001608923849 1019296337 /nfs/dbraw/zinc/29/63/37/1019296337.db2.gz WACCCQWGYOLNOI-VXGBXAGGSA-N -1 0 313.331 -0.210 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)n1 ZINC001608950203 1019296562 /nfs/dbraw/zinc/29/65/62/1019296562.db2.gz CAGUDKDFGYOMQX-PWSUYJOCSA-N -1 0 322.321 -0.913 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CCc3ccncn3)C2)nn1 ZINC001608962397 1019297968 /nfs/dbraw/zinc/29/79/68/1019297968.db2.gz PVECHSKUCGARQX-UHFFFAOYSA-N -1 0 302.294 -0.218 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)nn1 ZINC001608959586 1019298573 /nfs/dbraw/zinc/29/85/73/1019298573.db2.gz DRKICYMIOFLTHJ-DTWKUNHWSA-N -1 0 307.310 -0.724 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(Cc3nnnn3C3CC3)C2)nn1 ZINC001608962062 1019298881 /nfs/dbraw/zinc/29/88/81/1019298881.db2.gz LPTYBZNMKOIUDZ-VIFPVBQESA-N -1 0 304.314 -0.255 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)NCC1(O)CCOCC1 ZINC001608956360 1019299128 /nfs/dbraw/zinc/29/91/28/1019299128.db2.gz PWZNENNJOCRERL-UHFFFAOYSA-N -1 0 305.308 -0.202 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N[C@@H](CO)[C@@H]2CCOC2)c1 ZINC001608954307 1019299855 /nfs/dbraw/zinc/29/98/55/1019299855.db2.gz DBMYITDVCOEFDY-ZJUUUORDSA-N -1 0 316.335 -0.545 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)[C@]3(F)CCOC3)C2)nc1 ZINC001608974488 1019301389 /nfs/dbraw/zinc/30/13/89/1019301389.db2.gz WHNMBNZSXAPNOV-YGRLFVJLSA-N -1 0 324.312 -0.002 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CC[C@H](n2cccn2)C1 ZINC001608964851 1019301489 /nfs/dbraw/zinc/30/14/89/1019301489.db2.gz MWARNGSDKMUZHC-QMMMGPOBSA-N -1 0 311.323 -0.060 20 0 DBADRM O=C([O-])c1cnc(N2CCC[C@@H](NC(=O)c3cnon3)C2)nc1 ZINC001608974879 1019301601 /nfs/dbraw/zinc/30/16/01/1019301601.db2.gz NMUCCLORXBEKAU-SECBINFHSA-N -1 0 318.293 -0.043 20 0 DBADRM COCCCC(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001574911551 1019302976 /nfs/dbraw/zinc/30/29/76/1019302976.db2.gz FPKXIXKQFPVSNB-UHFFFAOYSA-N -1 0 321.337 -0.705 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@@H](O)c1ccco1 ZINC001608965296 1019303338 /nfs/dbraw/zinc/30/33/38/1019303338.db2.gz JRDHZNKIBLFHSO-SSDOTTSWSA-N -1 0 301.280 -0.287 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@]3(CCOC3=O)C2)nn1 ZINC001608963933 1019303631 /nfs/dbraw/zinc/30/36/31/1019303631.db2.gz OXXYANGWEKRROR-ZDUSSCGKSA-N -1 0 323.309 -0.675 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)NCCO[C@@H]2CCOC2)c1 ZINC001608983249 1019304599 /nfs/dbraw/zinc/30/45/99/1019304599.db2.gz WUNZITQQHRCJKP-SNVBAGLBSA-N -1 0 316.335 -0.136 20 0 DBADRM O=C([O-])c1cncc(NC[C@]23COCCN2C(=O)COC3)n1 ZINC001608981915 1019304748 /nfs/dbraw/zinc/30/47/48/1019304748.db2.gz KPYWLUWXTPMINL-CYBMUJFWSA-N -1 0 308.294 -0.786 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)c1 ZINC001608990075 1019305109 /nfs/dbraw/zinc/30/51/09/1019305109.db2.gz FHHRETYUBZZROM-YUMQZZPRSA-N -1 0 301.276 -0.229 20 0 DBADRM O=C([O-])c1coc(CNC(=O)c2cnn(C[C@@H](O)CO)c2)c1 ZINC001608989213 1019305278 /nfs/dbraw/zinc/30/52/78/1019305278.db2.gz XXUROUVPSUUKGJ-SNVBAGLBSA-N -1 0 309.278 -0.543 20 0 DBADRM O=C([O-])c1cncnc1N1CCN(CC(F)(F)CO)CC1 ZINC001608983391 1019305423 /nfs/dbraw/zinc/30/54/23/1019305423.db2.gz DNUJAMQPLRSVRQ-UHFFFAOYSA-N -1 0 302.281 -0.076 20 0 DBADRM O=C([O-])c1cnc(NCCCNC(=O)[C@@H]2CCCNC2=O)nc1 ZINC001608977256 1019305878 /nfs/dbraw/zinc/30/58/78/1019305878.db2.gz DLTNVRPESAZNIM-SNVBAGLBSA-N -1 0 321.337 -0.381 20 0 DBADRM O=C([O-])c1cnc(N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)nc1 ZINC001608978617 1019305997 /nfs/dbraw/zinc/30/59/97/1019305997.db2.gz JJBBRCUNXULLQM-QMMMGPOBSA-N -1 0 303.282 -0.381 20 0 DBADRM O=C([O-])c1coc(C(=O)NCCc2nnc3c(=O)[nH]ccn23)c1 ZINC001608986672 1019306657 /nfs/dbraw/zinc/30/66/57/1019306657.db2.gz QQEHDLJBSZKBHE-UHFFFAOYSA-N -1 0 317.261 -0.319 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)c3cn[nH]c3)C2)n1 ZINC001608999341 1019307204 /nfs/dbraw/zinc/30/72/04/1019307204.db2.gz VWQWWILCBRMDPW-SECBINFHSA-N -1 0 302.294 -0.354 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)C2(C3CC3)CC2)n1 ZINC001608999336 1019307224 /nfs/dbraw/zinc/30/72/24/1019307224.db2.gz VTQHGGQGOJDWQE-SNVBAGLBSA-N -1 0 320.349 -0.324 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)c2cc(F)c[nH]2)n1 ZINC001608999038 1019307863 /nfs/dbraw/zinc/30/78/63/1019307863.db2.gz KXCRHBGLYFWJMO-QMMMGPOBSA-N -1 0 323.284 -0.733 20 0 DBADRM O=C([O-])c1n[nH]c2ccc(NC(=O)[C@@H]3CCS(=O)(=O)N3)cc21 ZINC001608994673 1019308003 /nfs/dbraw/zinc/30/80/03/1019308003.db2.gz YFRFIAGPZLRMNB-VIFPVBQESA-N -1 0 324.318 -0.109 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)[C@H]3CCCO3)C2)n1 ZINC001608998885 1019308771 /nfs/dbraw/zinc/30/87/71/1019308771.db2.gz GYRYTCGSWHKQGK-VHSXEESVSA-N -1 0 306.322 -0.212 20 0 DBADRM O=C([O-])c1nccc(N2CCN(C(=O)c3ccncn3)CC2)n1 ZINC001608998292 1019309517 /nfs/dbraw/zinc/30/95/17/1019309517.db2.gz INPBGMDUSNSOBP-UHFFFAOYSA-N -1 0 314.305 -0.073 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)c2cc(F)c[nH]2)n1 ZINC001608999037 1019309605 /nfs/dbraw/zinc/30/96/05/1019309605.db2.gz KXCRHBGLYFWJMO-MRVPVSSYSA-N -1 0 323.284 -0.733 20 0 DBADRM O=C([O-])c1occc1CN1CCN(C(=O)Cn2cnnn2)CC1 ZINC001609006480 1019310818 /nfs/dbraw/zinc/31/08/18/1019310818.db2.gz VLJHPLLNZOXVED-UHFFFAOYSA-N -1 0 320.309 -0.691 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NCC1(CO)COC1 ZINC001609000431 1019311128 /nfs/dbraw/zinc/31/11/28/1019311128.db2.gz ABNYQJCWMOCIDN-UHFFFAOYSA-N -1 0 302.308 -0.933 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1C[C@@H]2C[C@]2(CO)C1 ZINC001609003621 1019311357 /nfs/dbraw/zinc/31/13/57/1019311357.db2.gz VSKSVGZUGXCXOO-QUBYGPBYSA-N -1 0 304.349 -0.156 20 0 DBADRM O=C([O-])c1ncn(CN2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC001609002313 1019312034 /nfs/dbraw/zinc/31/20/34/1019312034.db2.gz MWQSVWHSHMANIV-NSHDSACASA-N -1 0 323.353 -0.495 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CC[C@@](F)(CO)C1 ZINC001609003297 1019312987 /nfs/dbraw/zinc/31/29/87/1019312987.db2.gz FWCMHKDEADHNOY-VIFPVBQESA-N -1 0 310.328 -0.064 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)N1CC(N2CCOCC2)C1 ZINC001609002142 1019313135 /nfs/dbraw/zinc/31/31/35/1019313135.db2.gz FDVLHQXMDTUTQS-UHFFFAOYSA-N -1 0 309.322 -0.152 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001609034387 1019315210 /nfs/dbraw/zinc/31/52/10/1019315210.db2.gz NDWGWTUMILOYBC-ZJUUUORDSA-N -1 0 314.338 -0.375 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)CN1CCC(=O)NC1=O ZINC001609038806 1019315463 /nfs/dbraw/zinc/31/54/63/1019315463.db2.gz GJOILEQDLICEDH-JTQLQIEISA-N -1 0 320.305 -0.865 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)[C@@H]3CCC(=O)C3)CC2)CCOC1 ZINC001609034562 1019315739 /nfs/dbraw/zinc/31/57/39/1019315739.db2.gz WLFBIJGZINJDHD-ABAIWWIYSA-N -1 0 310.350 -0.257 20 0 DBADRM O=C([O-])c1cc(F)ccc1NC(=O)C(=O)N[C@H]1CNC(=O)C1 ZINC001609035087 1019316170 /nfs/dbraw/zinc/31/61/70/1019316170.db2.gz LOHHXEGFRVTLCS-SSDOTTSWSA-N -1 0 309.253 -0.533 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCCCCNC(=O)CC2)nn1 ZINC001609038814 1019317088 /nfs/dbraw/zinc/31/70/88/1019317088.db2.gz RCJVWPVOXGPMKJ-UHFFFAOYSA-N -1 0 309.326 -0.505 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001609034388 1019317224 /nfs/dbraw/zinc/31/72/24/1019317224.db2.gz NLCOCEUILFSGIH-BDAKNGLRSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@H]1CCC(=O)NC1)Cc1ccncc1 ZINC001609034409 1019317292 /nfs/dbraw/zinc/31/72/92/1019317292.db2.gz OEWGEWYLXPBLHD-RYUDHWBXSA-N -1 0 305.334 -0.033 20 0 DBADRM O=C([O-])c1c(F)cccc1NC(=O)C(=O)N1CCCNC(=O)C1 ZINC001609040560 1019318129 /nfs/dbraw/zinc/31/81/29/1019318129.db2.gz OBVBWFGAIIYLRP-UHFFFAOYSA-N -1 0 323.280 -0.189 20 0 DBADRM O=C([O-])c1ccc2c(c1)NC(=O)CN2C(=O)CCn1cnnn1 ZINC001609040626 1019318332 /nfs/dbraw/zinc/31/83/32/1019318332.db2.gz QUCCTPHPPWXXOS-UHFFFAOYSA-N -1 0 316.277 -0.253 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCCNC(=O)C1)C2 ZINC001609040823 1019318620 /nfs/dbraw/zinc/31/86/20/1019318620.db2.gz ZMOAMEWPJJFEGW-BONVTDFDSA-N -1 0 323.349 -0.952 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]2CCCC[C@H]12 ZINC001609041185 1019318654 /nfs/dbraw/zinc/31/86/54/1019318654.db2.gz SCUALSARALRSPT-AGIUHOORSA-N -1 0 323.393 -0.090 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(C(=O)C(=O)N1CCCNC(=O)C1)CC2 ZINC001609040320 1019318799 /nfs/dbraw/zinc/31/87/99/1019318799.db2.gz DQVYURGLSBVKNR-JTQLQIEISA-N -1 0 323.349 -0.952 20 0 DBADRM O=C([O-])[C@@H](CCF)NC(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001609041921 1019320191 /nfs/dbraw/zinc/32/01/91/1019320191.db2.gz YEFWPFVYZFDJMQ-SECBINFHSA-N -1 0 323.280 -0.089 20 0 DBADRM O=C([O-])C12CCC(C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)(CC1)C2 ZINC001609044824 1019320954 /nfs/dbraw/zinc/32/09/54/1019320954.db2.gz YOCRUXOKEXBLSY-WFJJYUMRSA-N -1 0 321.333 -0.216 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2Cc3cnccc3NC2=O)O1 ZINC001609046259 1019321263 /nfs/dbraw/zinc/32/12/63/1019321263.db2.gz HKUQVQRCLABOQQ-MXWKQRLJSA-N -1 0 305.290 -0.307 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)[C@@H]([C@H]2CCCO2)C1 ZINC001609046061 1019321327 /nfs/dbraw/zinc/32/13/27/1019321327.db2.gz YNYQZFPHYJZSPJ-LNFKQOIKSA-N -1 0 312.322 -0.034 20 0 DBADRM O=C([O-])[C@H]1Cc2ccc(O)cc2CN1C(=O)[C@@H]1COC(=O)N1 ZINC001609045649 1019322432 /nfs/dbraw/zinc/32/24/32/1019322432.db2.gz HDMPFODFAYTWSU-WDEREUQCSA-N -1 0 306.274 -0.162 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2ccc3c(c2)C(=O)NCCO3)C1 ZINC001609044942 1019322510 /nfs/dbraw/zinc/32/25/10/1019322510.db2.gz CVUDKUSRULLTHE-OAHLLOKOSA-N -1 0 320.301 -0.530 20 0 DBADRM O=C([O-])C12CC(C(=O)NC[C@H]3CCC[C@@]34NC(=O)NC4=O)(C1)C2 ZINC001609044737 1019322803 /nfs/dbraw/zinc/32/28/03/1019322803.db2.gz VRHBVBGPZQNBOE-RJBGKCDISA-N -1 0 321.333 -0.264 20 0 DBADRM C[C@H](C(=O)N1CC([C@H]2CCOC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068146 1019326167 /nfs/dbraw/zinc/32/61/67/1019326167.db2.gz MCDFIQQZDFJOQZ-BDAKNGLRSA-N -1 0 318.341 -0.486 20 0 DBADRM C[C@@H](C(=O)N1CCOCC12CC2)n1cnc(-c2nnn[n-]2)n1 ZINC001609069075 1019329802 /nfs/dbraw/zinc/32/98/02/1019329802.db2.gz QHNRVPLYAYVBEH-QMMMGPOBSA-N -1 0 304.314 -0.589 20 0 DBADRM C[C@@H](C(=O)NC[C@]1(C)CCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001609069974 1019333802 /nfs/dbraw/zinc/33/38/02/1019333802.db2.gz HYIBTOHFUWBWJC-UFBFGSQYSA-N -1 0 306.330 -0.296 20 0 DBADRM C[C@H](C(=O)N[C@@H](CO)C1CCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068297 1019334039 /nfs/dbraw/zinc/33/40/39/1019334039.db2.gz HIONGCCYRGYNQC-SCZZXKLOSA-N -1 0 320.357 -0.314 20 0 DBADRM C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H]1CCCOC1 ZINC001609120154 1019341779 /nfs/dbraw/zinc/34/17/79/1019341779.db2.gz XMYWDIHVAFWJGQ-IUCAKERBSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@H](CNS(=O)(=O)c1cncc(-c2nn[nH]n2)c1)C(=O)[O-] ZINC001609113847 1019345062 /nfs/dbraw/zinc/34/50/62/1019345062.db2.gz JQNGYDIRFFXKEL-ZCFIWIBFSA-N -1 0 312.311 -0.739 20 0 DBADRM C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609115250 1019345578 /nfs/dbraw/zinc/34/55/78/1019345578.db2.gz QJFZBTFFQICKLA-PVDFSEMESA-N -1 0 319.368 -0.495 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)C1CCOCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609118630 1019346407 /nfs/dbraw/zinc/34/64/07/1019346407.db2.gz USODGRIZUCBSDK-DTWKUNHWSA-N -1 0 320.357 -0.050 20 0 DBADRM C[C@@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C1CC1 ZINC001609113995 1019347085 /nfs/dbraw/zinc/34/70/85/1019347085.db2.gz QCOQHGQSZLTGFF-ZETCQYMHSA-N -1 0 305.342 -0.278 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)[C@H](C)CO ZINC001609114756 1019347899 /nfs/dbraw/zinc/34/78/99/1019347899.db2.gz VJDKQUPCENWNJB-HTQZYQBOSA-N -1 0 312.355 -0.443 20 0 DBADRM C[C@@](O)(CNc1nc2c(cc1-c1nn[nH]n1)CCC2)C(=O)[O-] ZINC001609127824 1019351562 /nfs/dbraw/zinc/35/15/62/1019351562.db2.gz YCKQOACENDGZDI-CYBMUJFWSA-N -1 0 304.310 -0.002 20 0 DBADRM C[C@@H](CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C[C@H](C)O ZINC001609128289 1019351971 /nfs/dbraw/zinc/35/19/71/1019351971.db2.gz KDNBBCLZEMQKSP-HRDYMLBCSA-N -1 0 308.346 -0.458 20 0 DBADRM CC1(C)NC(=O)N(CCCn2cnc(-c3nnn[n-]3)n2)C1=O ZINC001609147638 1019358672 /nfs/dbraw/zinc/35/86/72/1019358672.db2.gz GBGWKPDSTSFSHS-UHFFFAOYSA-N -1 0 305.302 -0.821 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H]1CO ZINC001609169175 1019361984 /nfs/dbraw/zinc/36/19/84/1019361984.db2.gz VXGUIRXJBMKPNC-HTQZYQBOSA-N -1 0 313.339 -0.149 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@@]2(F)CCOC2)c1[O-] ZINC001575026143 1019361960 /nfs/dbraw/zinc/36/19/60/1019361960.db2.gz FSDGFKXDNBKVSE-GFCCVEGCSA-N -1 0 300.290 -0.602 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001609182164 1019368574 /nfs/dbraw/zinc/36/85/74/1019368574.db2.gz SNDSNQAHCNVMSQ-LURJTMIESA-N -1 0 315.311 -0.057 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCOC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001609177608 1019369139 /nfs/dbraw/zinc/36/91/39/1019369139.db2.gz ZKNWRRCZJHIPSI-HRDYMLBCSA-N -1 0 306.330 -0.440 20 0 DBADRM C[C@@H]1CSCCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609177861 1019370384 /nfs/dbraw/zinc/37/03/84/1019370384.db2.gz GCJFUDASWUPGTI-MRVPVSSYSA-N -1 0 323.386 -0.395 20 0 DBADRM CC[C@H](C)C[C@@H](CO)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609185239 1019371230 /nfs/dbraw/zinc/37/12/30/1019371230.db2.gz CPMVVVBDRIPZTK-AEJSXWLSSA-N -1 0 322.373 -0.068 20 0 DBADRM CC[C@H](O)CCCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609195732 1019371762 /nfs/dbraw/zinc/37/17/62/1019371762.db2.gz ZVLQCMQXWWLOQM-IUCAKERBSA-N -1 0 308.346 -0.314 20 0 DBADRM CCCCCCNC(=O)Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001609208579 1019375767 /nfs/dbraw/zinc/37/57/67/1019375767.db2.gz BFZYSPLLJCUQCD-UHFFFAOYSA-N -1 0 321.341 -0.175 20 0 DBADRM CCN(C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)[C@@H]1CCOC1 ZINC001609219023 1019376475 /nfs/dbraw/zinc/37/64/75/1019376475.db2.gz QMZFSRHAKGYYIF-DTWKUNHWSA-N -1 0 306.330 -0.343 20 0 DBADRM CCN(C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)[C@H]1CCOC1 ZINC001609219024 1019376526 /nfs/dbraw/zinc/37/65/26/1019376526.db2.gz QMZFSRHAKGYYIF-IUCAKERBSA-N -1 0 306.330 -0.343 20 0 DBADRM CCC[C@@]1(C)NC(=O)N(CCn2cnc(-c3nnn[n-]3)n2)C1=O ZINC001609206368 1019377680 /nfs/dbraw/zinc/37/76/80/1019377680.db2.gz WEUIHEYBAXBNIY-GFCCVEGCSA-N -1 0 319.329 -0.431 20 0 DBADRM CCC[C@]1(CO)CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001609206535 1019378072 /nfs/dbraw/zinc/37/80/72/1019378072.db2.gz CNFXVGDXGGAPEJ-ZDUSSCGKSA-N -1 0 320.357 -0.531 20 0 DBADRM CCCn1ncnc1Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001609219093 1019378531 /nfs/dbraw/zinc/37/85/31/1019378531.db2.gz UTIFTOSWPXHNLV-UHFFFAOYSA-N -1 0 303.286 -0.821 20 0 DBADRM CC[C@H](C)C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001505615553 1019378835 /nfs/dbraw/zinc/37/88/35/1019378835.db2.gz SBXYZIMQZDOUNI-JGVFFNPUSA-N -1 0 309.326 -0.340 20 0 DBADRM CCOC1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCCC1 ZINC001609236844 1019382117 /nfs/dbraw/zinc/38/21/17/1019382117.db2.gz IKQJCQAUQKPIJW-UHFFFAOYSA-N -1 0 320.357 -0.076 20 0 DBADRM CCOC(Cn1c(=O)c(-c2nnn[n-]2)cn(CC)c1=O)OCC ZINC001609236768 1019385570 /nfs/dbraw/zinc/38/55/70/1019385570.db2.gz DSCUBKBHUMHFPD-UHFFFAOYSA-N -1 0 324.341 -0.391 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2CCC[C@@H](O)C2)c1=O ZINC001609257603 1019393091 /nfs/dbraw/zinc/39/30/91/1019393091.db2.gz DRKDNNYQUNZLGS-NXEZZACHSA-N -1 0 320.353 -0.239 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[nH]n2)s1 ZINC001609271533 1019395604 /nfs/dbraw/zinc/39/56/04/1019395604.db2.gz AMOYBYKSHFSGNH-UHFFFAOYSA-N -1 0 303.325 -0.367 20 0 DBADRM CN(C[C@H](O)Cn1cnc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC001609273631 1019398720 /nfs/dbraw/zinc/39/87/20/1019398720.db2.gz UTCMSMYVLUWBKV-QMMMGPOBSA-N -1 0 324.345 -0.314 20 0 DBADRM CN(C[C@@H](O)C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609272953 1019400632 /nfs/dbraw/zinc/40/06/32/1019400632.db2.gz JMDQPSDEJCTGAZ-MRVPVSSYSA-N -1 0 313.339 -0.149 20 0 DBADRM CO[C@@H](C)c1noc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)n1 ZINC001609309071 1019416419 /nfs/dbraw/zinc/41/64/19/1019416419.db2.gz JTDQARWGXRGZBS-YFKPBYRVSA-N -1 0 320.269 -0.732 20 0 DBADRM CO[C@@H](CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1)C(C)C ZINC001609311000 1019425834 /nfs/dbraw/zinc/42/58/34/1019425834.db2.gz QTNAXHJOTBPPKS-VIFPVBQESA-N -1 0 323.361 -0.572 20 0 DBADRM COC[C@@H](CCO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609317524 1019428540 /nfs/dbraw/zinc/42/85/40/1019428540.db2.gz MCLSMOGLYBMJKN-SSDOTTSWSA-N -1 0 317.327 -0.865 20 0 DBADRM COCCC1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001609321465 1019429390 /nfs/dbraw/zinc/42/93/90/1019429390.db2.gz BZRDGQYWEYGXBZ-UHFFFAOYSA-N -1 0 306.330 -0.609 20 0 DBADRM COCCC(=O)COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609321408 1019430561 /nfs/dbraw/zinc/43/05/61/1019430561.db2.gz ZGGGOFQXODUQKT-ZETCQYMHSA-N -1 0 309.286 -0.832 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)N(C)CCO)cc1-c1nnn[n-]1 ZINC001609372110 1019442571 /nfs/dbraw/zinc/44/25/71/1019442571.db2.gz PZAATJGYSSJGEZ-UHFFFAOYSA-N -1 0 310.339 -0.247 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[nH]n2)cn1 ZINC001609358509 1019446235 /nfs/dbraw/zinc/44/62/35/1019446235.db2.gz FDGCVNIXZRONRL-UHFFFAOYSA-N -1 0 322.310 -0.206 20 0 DBADRM Cc1cc(S(=O)(=O)NCCC(=O)[O-])ccc1-c1nn[nH]n1 ZINC001609412641 1019454917 /nfs/dbraw/zinc/45/49/17/1019454917.db2.gz IXQAYZVXDHWYEM-UHFFFAOYSA-N -1 0 311.323 -0.072 20 0 DBADRM Cc1cc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)ncn1 ZINC001609406081 1019456775 /nfs/dbraw/zinc/45/67/75/1019456775.db2.gz KIRAWAYBSGIQBS-SSDOTTSWSA-N -1 0 300.286 -0.244 20 0 DBADRM Cc1cnn(CCC(=O)NCCn2cnc(-c3nnn[n-]3)n2)c1 ZINC001609441560 1019459236 /nfs/dbraw/zinc/45/92/36/1019459236.db2.gz LENBNFOEBATMRP-UHFFFAOYSA-N -1 0 316.329 -0.830 20 0 DBADRM Cc1nn(CCn2ccccc2=O)c(=O)c(-c2nnn[n-]2)c1C ZINC001609459410 1019462814 /nfs/dbraw/zinc/46/28/14/1019462814.db2.gz FUKNQVJNGUOZIB-UHFFFAOYSA-N -1 0 313.321 -0.098 20 0 DBADRM Cc1nsc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001609464980 1019466766 /nfs/dbraw/zinc/46/67/66/1019466766.db2.gz JZEKTKGTUXQALI-BYPYZUCNSA-N -1 0 306.315 -0.182 20 0 DBADRM Cc1nccn1CCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609457227 1019468764 /nfs/dbraw/zinc/46/87/64/1019468764.db2.gz FRHKKONVFSZGGF-QMMMGPOBSA-N -1 0 316.329 -0.659 20 0 DBADRM Cn1cc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cn1 ZINC001609479124 1019480409 /nfs/dbraw/zinc/48/04/09/1019480409.db2.gz QADHMXNEZUCMNZ-UHFFFAOYSA-N -1 0 323.338 -0.286 20 0 DBADRM Cn1nncc1[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001609483480 1019482971 /nfs/dbraw/zinc/48/29/71/1019482971.db2.gz DWCBGPMGTMRKES-UHFFFAOYSA-N -1 0 307.299 -0.809 20 0 DBADRM C/C(=C\CN1C(=O)N[C@@H](CCS(C)(=O)=O)C1=O)C(=O)[O-] ZINC001609497937 1019487671 /nfs/dbraw/zinc/48/76/71/1019487671.db2.gz POUHSHGNIZAEPY-DKCNVOGISA-N -1 0 304.324 -0.628 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@H]2OCCC[C@H]2C1 ZINC001609537399 1019506686 /nfs/dbraw/zinc/50/66/86/1019506686.db2.gz ODVHLACVPCDWFL-VHSXEESVSA-N -1 0 318.341 -0.514 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NC[C@H]1CCCS1 ZINC001609551842 1019509322 /nfs/dbraw/zinc/50/93/22/1019509322.db2.gz NJPQYYRTBWUVRX-MRVPVSSYSA-N -1 0 323.386 -0.347 20 0 DBADRM CC(=O)N1CCC[C@H](CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC001609590999 1019525128 /nfs/dbraw/zinc/52/51/28/1019525128.db2.gz BGQUMHYOYYUAOL-VXGBXAGGSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(=O)N1CCC[C@@H](CNC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC001609590998 1019526836 /nfs/dbraw/zinc/52/68/36/1019526836.db2.gz BGQUMHYOYYUAOL-RYUDHWBXSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)C2(C(=O)[O-])CC2)CC1 ZINC001609599221 1019528633 /nfs/dbraw/zinc/52/86/33/1019528633.db2.gz NAEORIJSSCQYOG-SECBINFHSA-N -1 0 312.322 -0.526 20 0 DBADRM O=S1(=O)CCC[C@@H](COc2cnc(-c3nnn[n-]3)nc2)C1 ZINC001609598385 1019531563 /nfs/dbraw/zinc/53/15/63/1019531563.db2.gz BCBFZQLEMZBTJU-QMMMGPOBSA-N -1 0 310.339 -0.140 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)c2ccc(C(=O)[O-])n2C)CCO1 ZINC001609621660 1019534304 /nfs/dbraw/zinc/53/43/04/1019534304.db2.gz UDOBBQQFWVUBCN-JTQLQIEISA-N -1 0 309.322 -0.300 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001609621695 1019535003 /nfs/dbraw/zinc/53/50/03/1019535003.db2.gz WFTHZIUYLRHZCP-UHFFFAOYSA-N -1 0 313.354 -0.612 20 0 DBADRM CC(=O)N[C@@H](C(=O)O[C@H](C)C(=O)NCC(=O)[O-])C1CCCC1 ZINC001609611779 1019535580 /nfs/dbraw/zinc/53/55/80/1019535580.db2.gz IOWVDZFHSTXJEF-PRHODGIISA-N -1 0 314.338 -0.186 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001609622420 1019536373 /nfs/dbraw/zinc/53/63/73/1019536373.db2.gz WCJLNSMAGVPJBS-SRVKXCTJSA-N -1 0 300.355 -0.169 20 0 DBADRM CC(=O)N[C@H](C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C ZINC001609612044 1019536512 /nfs/dbraw/zinc/53/65/12/1019536512.db2.gz SHEWTHGGXCGQKH-RYUDHWBXSA-N -1 0 316.354 -0.084 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC001609635050 1019537822 /nfs/dbraw/zinc/53/78/22/1019537822.db2.gz OWEDKIDELRHMOQ-WDEREUQCSA-N -1 0 321.381 -0.007 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC(=O)N(C)[C@H](C)C1 ZINC001609632548 1019538030 /nfs/dbraw/zinc/53/80/30/1019538030.db2.gz VDZBWRPSAVPZIH-GHMZBOCLSA-N -1 0 311.382 -0.139 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCn2ncnc2C1 ZINC001609632871 1019538231 /nfs/dbraw/zinc/53/82/31/1019538231.db2.gz JBRLDDHLENULAJ-SNVBAGLBSA-N -1 0 307.354 -0.195 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N[C@@H](CF)C(=O)[O-])n1cccn1 ZINC001609631626 1019538838 /nfs/dbraw/zinc/53/88/38/1019538838.db2.gz KQTPNMWNUVXAKV-IUCAKERBSA-N -1 0 300.290 -0.559 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC(c2nnc3n2CCC3)CC1 ZINC001609635023 1019538899 /nfs/dbraw/zinc/53/88/99/1019538899.db2.gz OGVNDPSXOMNULU-JTQLQIEISA-N -1 0 321.381 -0.007 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001609634284 1019539073 /nfs/dbraw/zinc/53/90/73/1019539073.db2.gz BVCGVGMYUNSWFQ-NXEZZACHSA-N -1 0 300.359 -0.689 20 0 DBADRM C[C@H](C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1)S(C)(=O)=O ZINC001609632796 1019539426 /nfs/dbraw/zinc/53/94/26/1019539426.db2.gz GUJYCBKIKHFXRT-MRVPVSSYSA-N -1 0 318.351 -0.358 20 0 DBADRM C[C@H]([C@H](C)N1C(=O)N[C@H](CCC(=O)[O-])C1=O)N1CCOCC1 ZINC001609646767 1019541309 /nfs/dbraw/zinc/54/13/09/1019541309.db2.gz CEBXNUOPMFJYRI-OUAUKWLOSA-N -1 0 313.354 -0.119 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCCO1)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001609636061 1019541465 /nfs/dbraw/zinc/54/14/65/1019541465.db2.gz KAPJWIYJVCTSMU-USZNOCQGSA-N -1 0 300.355 -0.156 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(c2ncc(F)cn2)CC1 ZINC001609635428 1019542180 /nfs/dbraw/zinc/54/21/80/1019542180.db2.gz WYGCHJSESABFSR-VIFPVBQESA-N -1 0 311.317 -0.673 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001609659553 1019543657 /nfs/dbraw/zinc/54/36/57/1019543657.db2.gz XOMKSSOXUBNWDZ-NXEZZACHSA-N -1 0 316.354 -0.788 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001609655427 1019545896 /nfs/dbraw/zinc/54/58/96/1019545896.db2.gz XEJSVUOKLKPFSR-JOYOIKCWSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])C1 ZINC001609658845 1019544566 /nfs/dbraw/zinc/54/45/66/1019544566.db2.gz PWQSGIHTAQJIJH-SDBXPKJASA-N -1 0 316.310 -0.575 20 0 DBADRM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(CC(=O)NCC(=O)[O-])C1 ZINC001609676171 1019545102 /nfs/dbraw/zinc/54/51/02/1019545102.db2.gz WULDABODRZSYIX-JTQLQIEISA-N -1 0 323.353 -0.252 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)Cn1c(=O)cccc1C(=O)[O-] ZINC001609657852 1019545446 /nfs/dbraw/zinc/54/54/46/1019545446.db2.gz KJIWIIMDRTVLEF-UHFFFAOYSA-N -1 0 309.322 -0.423 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@H](CO)O[C@@H](C)C1)C(=O)[O-] ZINC001609693614 1019546545 /nfs/dbraw/zinc/54/65/45/1019546545.db2.gz WLZGUNAIKINCMC-TUAOUCFPSA-N -1 0 302.371 -0.317 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)[C@@H]1CCC(=O)NC1)C(=O)[O-] ZINC001609693770 1019547001 /nfs/dbraw/zinc/54/70/01/1019547001.db2.gz BTHBINVUUMIGHF-ZJUUUORDSA-N -1 0 314.338 -0.329 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCN2C(=O)CC[C@@H]2C1)C(=O)[O-] ZINC001609677455 1019547905 /nfs/dbraw/zinc/54/79/05/1019547905.db2.gz VTOKYANCCYMBOS-SECBINFHSA-N -1 0 304.368 -0.266 20 0 DBADRM CC(C)(CS(=O)(=O)NCc1cc(C(N)=O)co1)C(=O)[O-] ZINC001609677832 1019548515 /nfs/dbraw/zinc/54/85/15/1019548515.db2.gz GVTXHTFVVDTSFJ-UHFFFAOYSA-N -1 0 304.324 -0.091 20 0 DBADRM CC(C)C(=O)N1CCN(Cn2nc(C(=O)[O-])ccc2=O)CC1 ZINC001609682686 1019549045 /nfs/dbraw/zinc/54/90/45/1019549045.db2.gz DLOJBSAPGHGOFC-UHFFFAOYSA-N -1 0 308.338 -0.301 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N[C@@H](Cn1ccnc1)C(=O)[O-] ZINC001609700736 1019549960 /nfs/dbraw/zinc/54/99/60/1019549960.db2.gz RCINBTCBCJOMAT-JTQLQIEISA-N -1 0 317.367 -0.477 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)C1=COCCO1)C(=O)[O-] ZINC001609702173 1019551328 /nfs/dbraw/zinc/55/13/28/1019551328.db2.gz PCGIITBDSPCPCC-VIFPVBQESA-N -1 0 300.311 -0.394 20 0 DBADRM CC(C)N1C(=O)C(=O)N(CN2CCOC[C@@H]2CC(=O)[O-])C1=O ZINC001609705401 1019551912 /nfs/dbraw/zinc/55/19/12/1019551912.db2.gz VWCKJZYLTXHSTC-VIFPVBQESA-N -1 0 313.310 -0.681 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])n1ccnc1 ZINC001609696283 1019552287 /nfs/dbraw/zinc/55/22/87/1019552287.db2.gz IXWVPUOGGQWVEB-DTWKUNHWSA-N -1 0 301.324 -0.846 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)C(=O)c1ccc[nH]1)C(=O)[O-] ZINC001609702283 1019552576 /nfs/dbraw/zinc/55/25/76/1019552576.db2.gz WKSSVZVLGJAXTQ-JTQLQIEISA-N -1 0 309.322 -0.071 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001609731396 1019553689 /nfs/dbraw/zinc/55/36/89/1019553689.db2.gz AKXPXJVGTKGNDY-JTQLQIEISA-N -1 0 320.411 -0.278 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C(=O)Nc2ccon2)CC1 ZINC001609734986 1019554113 /nfs/dbraw/zinc/55/41/13/1019554113.db2.gz UAAWNVCLRMXQPW-VIFPVBQESA-N -1 0 310.310 -0.380 20 0 DBADRM CC(C)S(=O)(=O)CCNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001609715045 1019554451 /nfs/dbraw/zinc/55/44/51/1019554451.db2.gz OLMINHOUTWBTIP-UHFFFAOYSA-N -1 0 318.355 -0.088 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCO[C@@]2(CCOC2)C1)C(=O)[O-] ZINC001609716862 1019555218 /nfs/dbraw/zinc/55/52/18/1019555218.db2.gz XPEUUEMEJNGLRN-JSGCOSHPSA-N -1 0 300.355 -0.297 20 0 DBADRM CC(C)n1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n1 ZINC001609724322 1019556066 /nfs/dbraw/zinc/55/60/66/1019556066.db2.gz IPONPGLJCLVKIV-NXEZZACHSA-N -1 0 324.337 -0.304 20 0 DBADRM C[C@H](CN1CCOCC1)N(C)Cn1nc(C(=O)[O-])ccc1=O ZINC001609743763 1019557504 /nfs/dbraw/zinc/55/75/04/1019557504.db2.gz ULXIVVMZQDOJKV-LLVKDONJSA-N -1 0 310.354 -0.449 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001609749459 1019558509 /nfs/dbraw/zinc/55/85/09/1019558509.db2.gz IZZCNGSKIYCFLA-CBBHYXBPSA-N -1 0 306.384 -0.380 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H](C)c1nnc2n1CCC2)C(=O)[O-] ZINC001609750598 1019558962 /nfs/dbraw/zinc/55/89/62/1019558962.db2.gz QBJXNYFBLHWIKA-SFYZADRCSA-N -1 0 302.356 -0.075 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCc2n[nH]c(=O)cc2C1)C(=O)[O-] ZINC001609751418 1019559093 /nfs/dbraw/zinc/55/90/93/1019559093.db2.gz YECZYJSVLSFZOY-ZETCQYMHSA-N -1 0 301.324 -0.409 20 0 DBADRM C[C@@](O)(CNC(=O)Cc1ccc(-n2cnnc2)cc1)C(=O)[O-] ZINC001609784864 1019561677 /nfs/dbraw/zinc/56/16/77/1019561677.db2.gz PXXKDUDPWKOAHH-CQSZACIVSA-N -1 0 304.306 -0.238 20 0 DBADRM C[C@](O)(CN1CCN(C(=O)c2ccccc2O)CC1)C(=O)[O-] ZINC001609783809 1019561764 /nfs/dbraw/zinc/56/17/64/1019561764.db2.gz FXVXOEQNKMOCIL-HNNXBMFYSA-N -1 0 308.334 -0.014 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC001609783478 1019561949 /nfs/dbraw/zinc/56/19/49/1019561949.db2.gz UDAJFJOZPKOVPT-ZCFIWIBFSA-N -1 0 321.380 -0.329 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001609751895 1019561984 /nfs/dbraw/zinc/56/19/84/1019561984.db2.gz SCMINQQUBRWJQN-IINYFYTJSA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@@H](NC(=O)CN1CCOCC1=O)c1ncc(C(=O)[O-])s1 ZINC001609762830 1019562589 /nfs/dbraw/zinc/56/25/89/1019562589.db2.gz BAMSSLVIMPCXPD-SSDOTTSWSA-N -1 0 313.335 -0.123 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCO[C@H](C(=O)C2CC2)C1)C(=O)[O-] ZINC001609751492 1019562685 /nfs/dbraw/zinc/56/26/85/1019562685.db2.gz ZFHZOXTUUHTZCC-WPRPVWTQSA-N -1 0 305.352 -0.283 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CCO1 ZINC001609788091 1019564274 /nfs/dbraw/zinc/56/42/74/1019564274.db2.gz NBGQFWJQKKCMHI-JOYOIKCWSA-N -1 0 322.317 -0.069 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001609788808 1019564584 /nfs/dbraw/zinc/56/45/84/1019564584.db2.gz ZCEQZDMKXHLLQA-VHSXEESVSA-N -1 0 318.395 -0.508 20 0 DBADRM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)c1cnn(C)c1 ZINC001575417954 1019565105 /nfs/dbraw/zinc/56/51/05/1019565105.db2.gz NPOUQLROYGMLKX-LURJTMIESA-N -1 0 317.313 -0.427 20 0 DBADRM CC(C)(O)C1CN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC001609789405 1019566184 /nfs/dbraw/zinc/56/61/84/1019566184.db2.gz NUMAAXKOPZLLEE-UHFFFAOYSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H](OC(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)NCC(=O)[O-] ZINC001609791494 1019568294 /nfs/dbraw/zinc/56/82/94/1019568294.db2.gz APWPQVYXGPJEJT-BDAKNGLRSA-N -1 0 321.351 -0.666 20 0 DBADRM C[C@H](OC(=O)CCS(C)(=O)=O)c1cn(CC(=O)[O-])nn1 ZINC001609794607 1019568456 /nfs/dbraw/zinc/56/84/56/1019568456.db2.gz PPBBZJGQZRMIIB-ZETCQYMHSA-N -1 0 305.312 -0.598 20 0 DBADRM CC1(C)CC(CNC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001609816130 1019569705 /nfs/dbraw/zinc/56/97/05/1019569705.db2.gz CDEOHXZCBGODRW-WDEREUQCSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H](OC(=O)c1ccnc2c1nnn2C)C(=O)NCC(=O)[O-] ZINC001609803165 1019570732 /nfs/dbraw/zinc/57/07/32/1019570732.db2.gz XMHNVRVOLPEASO-ZCFIWIBFSA-N -1 0 307.266 -0.891 20 0 DBADRM C[C@@H](Sc1nnc(-c2ccco2)n1N)C(=O)NCC(=O)[O-] ZINC001609806464 1019570816 /nfs/dbraw/zinc/57/08/16/1019570816.db2.gz MOIUMCQSKHXWRV-ZCFIWIBFSA-N -1 0 311.323 -0.067 20 0 DBADRM CC1(C)C[C@H]1CNC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001609815498 1019571448 /nfs/dbraw/zinc/57/14/48/1019571448.db2.gz VJFGJTMAUHVKHB-WDEREUQCSA-N -1 0 312.366 -0.167 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CCO1 ZINC001609818567 1019573391 /nfs/dbraw/zinc/57/33/91/1019573391.db2.gz LGJNDJZKZYNCLW-ZJUUUORDSA-N -1 0 322.383 -0.891 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001609830628 1019573645 /nfs/dbraw/zinc/57/36/45/1019573645.db2.gz NTJSZBSPWPBBLH-NXEZZACHSA-N -1 0 323.349 -0.953 20 0 DBADRM CC1(C)OCC(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CO1 ZINC001609819171 1019573943 /nfs/dbraw/zinc/57/39/43/1019573943.db2.gz BXTUMXRNXQAMGZ-SCZZXKLOSA-N -1 0 302.327 -0.385 20 0 DBADRM CC1(Cn2cc(C(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)nn2)COC1 ZINC001609821263 1019574211 /nfs/dbraw/zinc/57/42/11/1019574211.db2.gz DDSZXCGCEMXDRM-ZJUUUORDSA-N -1 0 324.337 -0.778 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001609830917 1019574530 /nfs/dbraw/zinc/57/45/30/1019574530.db2.gz QEOAIFUMDZUMDR-OQPBUACISA-N -1 0 312.326 -0.761 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C1(S(C)(=O)=O)CCOCC1 ZINC001609831418 1019574592 /nfs/dbraw/zinc/57/45/92/1019574592.db2.gz BXGHRICIDNYKLW-UWVGGRQHSA-N -1 0 319.379 -0.098 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CCO1 ZINC001609818566 1019575102 /nfs/dbraw/zinc/57/51/02/1019575102.db2.gz LGJNDJZKZYNCLW-VHSXEESVSA-N -1 0 322.383 -0.891 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCc1cnccn1 ZINC001609836790 1019576787 /nfs/dbraw/zinc/57/67/87/1019576787.db2.gz URTZZKUNJIMFPO-MWLCHTKSSA-N -1 0 306.322 -0.543 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(F)(F)C(=O)N1CCOCC1 ZINC001609831911 1019576827 /nfs/dbraw/zinc/57/68/27/1019576827.db2.gz CRTHLDYFGOMPSS-DTWKUNHWSA-N -1 0 320.292 -0.198 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1coc(S(N)(=O)=O)c1 ZINC001609835407 1019576876 /nfs/dbraw/zinc/57/68/76/1019576876.db2.gz TWEAZKMFMKVIGQ-POYBYMJQSA-N -1 0 302.308 -0.138 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC001609835736 1019576966 /nfs/dbraw/zinc/57/69/66/1019576966.db2.gz RKDNNBWUSFLLHS-GXSJLCMTSA-N -1 0 323.349 -0.859 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001609833323 1019577279 /nfs/dbraw/zinc/57/72/79/1019577279.db2.gz LAXUBPZWZRYMJL-RNFRBKRXSA-N -1 0 302.308 -0.138 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCC[C@H](CCO)C1 ZINC001609835081 1019577858 /nfs/dbraw/zinc/57/78/58/1019577858.db2.gz OPQPVNOEGCVLOK-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(F)(F)C(=O)N1CCOCC1 ZINC001609831906 1019577907 /nfs/dbraw/zinc/57/79/07/1019577907.db2.gz CRTHLDYFGOMPSS-BDAKNGLRSA-N -1 0 320.292 -0.198 20 0 DBADRM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2N1C(=O)Cn1ncn(C)c1=O ZINC001609848575 1019578448 /nfs/dbraw/zinc/57/84/48/1019578448.db2.gz GBJHJHJILIXHCK-CHWFTXMASA-N -1 0 324.337 -0.797 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001609862869 1019578687 /nfs/dbraw/zinc/57/86/87/1019578687.db2.gz SGCSZKMGZKIZRX-LDYMZIIASA-N -1 0 319.317 -0.036 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001609862839 1019579896 /nfs/dbraw/zinc/57/98/96/1019579896.db2.gz SGCSZKMGZKIZRX-GZMMTYOYSA-N -1 0 319.317 -0.036 20 0 DBADRM C[C@H]1C[C@@H](C(=O)O[C@@H]2COC[C@H]2n2cc(C(=O)[O-])nn2)CO1 ZINC001609842297 1019580584 /nfs/dbraw/zinc/58/05/84/1019580584.db2.gz KUFXESVUQNSFDN-SCVMZPAESA-N -1 0 311.294 -0.116 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)CC[S@@](=O)C1 ZINC001609869742 1019581545 /nfs/dbraw/zinc/58/15/45/1019581545.db2.gz XOGGGUOGTWNEAQ-FFVOIRBGSA-N -1 0 300.340 -0.797 20 0 DBADRM CC[C@H](CO)N1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001609921791 1019593104 /nfs/dbraw/zinc/59/31/04/1019593104.db2.gz BMOJKLSOAQOLLC-LLVKDONJSA-N -1 0 322.427 -0.185 20 0 DBADRM C[C@@H]1CN(C(=O)CCCS(C)(=O)=O)CCN1CCC(=O)[O-] ZINC001609866387 1019582434 /nfs/dbraw/zinc/58/24/34/1019582434.db2.gz ZXPDZDPBQZIGTJ-LLVKDONJSA-N -1 0 320.411 -0.181 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)Nc1ccn(C)n1 ZINC001609867506 1019582872 /nfs/dbraw/zinc/58/28/72/1019582872.db2.gz KXNUGOGYGQFPBL-SNVBAGLBSA-N -1 0 323.353 -0.634 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1cccc2c1CNC2=O ZINC001609865282 1019583134 /nfs/dbraw/zinc/58/31/34/1019583134.db2.gz UXEJBPPMINSZNM-ZETCQYMHSA-N -1 0 305.290 -0.152 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001609887172 1019586069 /nfs/dbraw/zinc/58/60/69/1019586069.db2.gz NKRVVYPDPAOXHI-LKFCYVNXSA-N -1 0 311.338 -0.066 20 0 DBADRM C[C@H]1OC(=O)N[C@@H]1C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001609880458 1019586265 /nfs/dbraw/zinc/58/62/65/1019586265.db2.gz WWDSQYMHWGRAFV-XCBNKYQSSA-N -1 0 314.294 -0.650 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N(CCN1CCOCC1)CC(=O)OC ZINC001609883835 1019586415 /nfs/dbraw/zinc/58/64/15/1019586415.db2.gz GUNGQUXHCTVGBX-LLVKDONJSA-N -1 0 316.354 -0.569 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC001609886739 1019586935 /nfs/dbraw/zinc/58/69/35/1019586935.db2.gz SPXYGVXSDNJPSQ-SECBINFHSA-N -1 0 324.424 -0.408 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001609887174 1019587190 /nfs/dbraw/zinc/58/71/90/1019587190.db2.gz NKRVVYPDPAOXHI-XPTSAGLGSA-N -1 0 311.338 -0.066 20 0 DBADRM C[C@@H](CN(C)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC001609902731 1019588358 /nfs/dbraw/zinc/58/83/58/1019588358.db2.gz YGNFNEPLVZDRTQ-GXSJLCMTSA-N -1 0 323.353 -0.113 20 0 DBADRM CCC(CC)(CNC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC001609915249 1019588422 /nfs/dbraw/zinc/58/84/22/1019588422.db2.gz SVFSUKDJQLFABL-UHFFFAOYSA-N -1 0 321.337 -0.102 20 0 DBADRM C[C@@](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)(C(N)=O)c1ccccc1 ZINC001609914278 1019589317 /nfs/dbraw/zinc/58/93/17/1019589317.db2.gz QNHNHPVATAFGKU-YGRLFVJLSA-N -1 0 305.290 -0.267 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](C)O[C@H](CO)C1)C(=O)[O-] ZINC001609897961 1019589503 /nfs/dbraw/zinc/58/95/03/1019589503.db2.gz AZGOJQKOJHGWHM-NOHGZBONSA-N -1 0 302.371 -0.317 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N(CCO)C1CCOCC1)C(=O)[O-] ZINC001609887758 1019589551 /nfs/dbraw/zinc/58/95/51/1019589551.db2.gz UIMBQCQSSRKSDM-JTQLQIEISA-N -1 0 316.354 -0.835 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)OCC(=O)NC1CCN(C(C)=O)CC1 ZINC001609891771 1019589700 /nfs/dbraw/zinc/58/97/00/1019589700.db2.gz KQKBEZOSLHXRTN-NSHDSACASA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@@H](CN(C)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC001609902740 1019589786 /nfs/dbraw/zinc/58/97/86/1019589786.db2.gz YGNFNEPLVZDRTQ-ONGXEEELSA-N -1 0 323.353 -0.113 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CCO1 ZINC001575475844 1019589984 /nfs/dbraw/zinc/58/99/84/1019589984.db2.gz ZFNSBBIXGMULBZ-PELKAZGASA-N -1 0 319.321 -0.206 20 0 DBADRM CC[C@H]1CN(CC(=O)NCCC(=O)[O-])C[C@@]2(CCOC2)O1 ZINC001609947421 1019591798 /nfs/dbraw/zinc/59/17/98/1019591798.db2.gz NMKWKUAIUKJMPB-SMDDNHRTSA-N -1 0 300.355 -0.153 20 0 DBADRM C[C@@H](O)CN(C(=O)Nc1ccc(-c2nn[nH]n2)cn1)[C@@H](C)CO ZINC001575479368 1019591799 /nfs/dbraw/zinc/59/17/99/1019591799.db2.gz AZAWJDJKTSERCL-DTWKUNHWSA-N -1 0 321.341 -0.143 20 0 DBADRM CC[C@@H]1CN(CCC(=O)NCC(=O)[O-])C[C@H](C)S1(=O)=O ZINC001609949571 1019592020 /nfs/dbraw/zinc/59/20/20/1019592020.db2.gz WYPBOQFRPLXRPU-VHSXEESVSA-N -1 0 306.384 -0.525 20 0 DBADRM CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001609952988 1019592228 /nfs/dbraw/zinc/59/22/28/1019592228.db2.gz WTSJVDWYJUQSLS-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM CC[C@](COC)(NS(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)[O-] ZINC001609926957 1019592789 /nfs/dbraw/zinc/59/27/89/1019592789.db2.gz ZTAHJGVOVZTPJP-LDYMZIIASA-N -1 0 311.356 -0.405 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@H](C)CN1CCOCC1)C(=O)[O-] ZINC001609922565 1019593074 /nfs/dbraw/zinc/59/30/74/1019593074.db2.gz QQCWBSGCNIXYBJ-RISCZKNCSA-N -1 0 302.371 -0.049 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1ccc2nccnc2c1)C(=O)[O-] ZINC001609943273 1019593535 /nfs/dbraw/zinc/59/35/35/1019593535.db2.gz NVABVJODTDCHJS-AWEZNQCLSA-N -1 0 318.289 -0.480 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@@]2(CCOC2)O1 ZINC001609948130 1019593550 /nfs/dbraw/zinc/59/35/50/1019593550.db2.gz UPMXHVXHJLUXDK-QMTHXVAHSA-N -1 0 324.337 -0.227 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@@H](C)[S@@]1=O ZINC001609948127 1019593792 /nfs/dbraw/zinc/59/37/92/1019593792.db2.gz UMJPLVLJVYLGQS-FQJNGZCASA-N -1 0 314.367 -0.266 20 0 DBADRM CCC[C@](C)(NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001609954164 1019594738 /nfs/dbraw/zinc/59/47/38/1019594738.db2.gz ZFKVNNLYVLODCR-GWCFXTLKSA-N -1 0 320.411 -0.135 20 0 DBADRM CCC[C@@](C)(NC(=O)CN1CCN(CC)C(=O)C1=O)C(=O)[O-] ZINC001609953921 1019594918 /nfs/dbraw/zinc/59/49/18/1019594918.db2.gz IIIIGAWKYUSHEG-CQSZACIVSA-N -1 0 313.354 -0.563 20 0 DBADRM CCCCN(CCO)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001609969737 1019594996 /nfs/dbraw/zinc/59/49/96/1019594996.db2.gz ZALVDPDXHWNQEK-AWEZNQCLSA-N -1 0 300.355 -0.069 20 0 DBADRM CCCCOCCNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001609970597 1019595412 /nfs/dbraw/zinc/59/54/12/1019595412.db2.gz NHEYQZBJQDVHNC-GHMZBOCLSA-N -1 0 316.354 -0.787 20 0 DBADRM CCC[C@](C)(O)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001609954205 1019595876 /nfs/dbraw/zinc/59/58/76/1019595876.db2.gz BGMPIAANTUFXQT-ZDUSSCGKSA-N -1 0 312.326 -0.276 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N[C@H](C(=O)[O-])c1ccn(C)n1 ZINC001609962946 1019595952 /nfs/dbraw/zinc/59/59/52/1019595952.db2.gz BKFFLCSILOKLDV-ZJUUUORDSA-N -1 0 311.342 -0.111 20 0 DBADRM CCCN1C[C@H](C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CC1=O ZINC001609978564 1019596407 /nfs/dbraw/zinc/59/64/07/1019596407.db2.gz OVXLAKHORMZARZ-YPMHNXCESA-N -1 0 312.366 -0.071 20 0 DBADRM CCC[C@H](C)N1C[C@H](C(=O)OCC(=O)NCC(=O)[O-])CC1=O ZINC001609955731 1019596416 /nfs/dbraw/zinc/59/64/16/1019596416.db2.gz UDTVOWFBYVGLGO-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001609973430 1019596523 /nfs/dbraw/zinc/59/65/23/1019596523.db2.gz VXCCVRALVJFQSR-QWRGUYRKSA-N -1 0 300.355 -0.071 20 0 DBADRM CCC[C@](C)(NC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001609954059 1019596814 /nfs/dbraw/zinc/59/68/14/1019596814.db2.gz RNLYFFUQYRGMJD-NSHDSACASA-N -1 0 318.355 -0.710 20 0 DBADRM CCCN(Cn1cnc(C(=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1 ZINC001609979344 1019596863 /nfs/dbraw/zinc/59/68/63/1019596863.db2.gz XGDGOXMNHJSHOI-SECBINFHSA-N -1 0 302.356 -0.167 20 0 DBADRM CCN(CCSC)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001610001864 1019597717 /nfs/dbraw/zinc/59/77/17/1019597717.db2.gz YTYCOYXLLWOAFV-SECBINFHSA-N -1 0 304.368 -0.490 20 0 DBADRM CCN(C[C@H]1CCOC1)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001610000623 1019597779 /nfs/dbraw/zinc/59/77/79/1019597779.db2.gz XFBZLOCJODNVHW-SECBINFHSA-N -1 0 324.337 -0.058 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001609990468 1019598045 /nfs/dbraw/zinc/59/80/45/1019598045.db2.gz YDGJNKLWSGYBAK-UHFFFAOYSA-N -1 0 310.310 -0.446 20 0 DBADRM CCN1C[C@@H](CNC(=O)Nc2ccn(CC(=O)[O-])n2)CC1=O ZINC001610004113 1019598073 /nfs/dbraw/zinc/59/80/73/1019598073.db2.gz CHHMGWGONJAVCE-SECBINFHSA-N -1 0 309.326 -0.042 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001609981672 1019598318 /nfs/dbraw/zinc/59/83/18/1019598318.db2.gz QLMYYNDXYDXSKS-NSHDSACASA-N -1 0 320.411 -0.181 20 0 DBADRM CCN1C[C@H](NS(=O)(=O)CC2(C(=O)[O-])CCC2)CC1=O ZINC001610005004 1019598682 /nfs/dbraw/zinc/59/86/82/1019598682.db2.gz VZFPRYLMNWSGJD-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001610000976 1019599259 /nfs/dbraw/zinc/59/92/59/1019599259.db2.gz BZXKWJBMZFQWQN-UHFFFAOYSA-N -1 0 320.349 -0.045 20 0 DBADRM CCS(=O)(=O)CCN(C)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001610050078 1019609252 /nfs/dbraw/zinc/60/92/52/1019609252.db2.gz ZHBYWXRYIVCZKA-UHFFFAOYSA-N -1 0 315.413 -0.207 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC001610037239 1019609271 /nfs/dbraw/zinc/60/92/71/1019609271.db2.gz TVDCORQCOTXNSV-UWVGGRQHSA-N -1 0 322.383 -0.688 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](CF)C(=O)[O-] ZINC001610013036 1019602033 /nfs/dbraw/zinc/60/20/33/1019602033.db2.gz BZERYTGFHBFTLM-YUMQZZPRSA-N -1 0 312.319 -0.729 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](CF)C(=O)[O-] ZINC001610013033 1019602762 /nfs/dbraw/zinc/60/27/62/1019602762.db2.gz BZERYTGFHBFTLM-SFYZADRCSA-N -1 0 312.319 -0.729 20 0 DBADRM CCOC(=O)c1ncc(C(=O)NC[C@@](C)(O)C(=O)[O-])s1 ZINC001610023897 1019604854 /nfs/dbraw/zinc/60/48/54/1019604854.db2.gz PFZABPYTOSNRSO-LLVKDONJSA-N -1 0 302.308 -0.115 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001610032122 1019605072 /nfs/dbraw/zinc/60/50/72/1019605072.db2.gz YVERELGCXXKDIY-SKDRFNHKSA-N -1 0 310.354 -0.132 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)NC2CC(NS(C)(=O)=O)C2)C1 ZINC001610018280 1019605405 /nfs/dbraw/zinc/60/54/05/1019605405.db2.gz GMFMFWSPOFOQSF-SHVIVCPWSA-N -1 0 319.383 -0.427 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c(C)onc1N ZINC001610034191 1019606479 /nfs/dbraw/zinc/60/64/79/1019606479.db2.gz NLLTWRKDLPTXIX-ZETCQYMHSA-N -1 0 307.328 -0.325 20 0 DBADRM C[C@@H](c1cccnc1)N(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001610018968 1019606812 /nfs/dbraw/zinc/60/68/12/1019606812.db2.gz QLUPNYUEUVNEOQ-CMPLNLGQSA-N -1 0 321.333 -0.087 20 0 DBADRM CCOC(=O)N1CCCN(CC(=O)NCCC(=O)[O-])CC1 ZINC001610021111 1019606829 /nfs/dbraw/zinc/60/68/29/1019606829.db2.gz CWQJPWZZZIVLAH-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)c1cncc(C(=O)[O-])c1 ZINC001610047942 1019608216 /nfs/dbraw/zinc/60/82/16/1019608216.db2.gz HKYJLWRRWIYYLC-UHFFFAOYSA-N -1 0 315.351 -0.161 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001610050089 1019608586 /nfs/dbraw/zinc/60/85/86/1019608586.db2.gz SUIIEICWFFLUHP-FRUKKLPWSA-N -1 0 304.368 -0.807 20 0 DBADRM C[C@]1(C[C@@H]2CCCN2C(=O)NCCC(=O)[O-])NC(=O)NC1=O ZINC001610053607 1019608872 /nfs/dbraw/zinc/60/88/72/1019608872.db2.gz KOPOMGWTZACVFQ-ISVAXAHUSA-N -1 0 312.326 -0.377 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)n(C)n1 ZINC001610058856 1019608904 /nfs/dbraw/zinc/60/89/04/1019608904.db2.gz IBIOCVZBLLJALB-WCBMZHEXSA-N -1 0 324.337 -0.785 20 0 DBADRM CCS(=O)(=O)CCCNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001610049842 1019609160 /nfs/dbraw/zinc/60/91/60/1019609160.db2.gz WDAFEZUHEQTCOL-UWVGGRQHSA-N -1 0 322.383 -0.712 20 0 DBADRM CCn1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1=O ZINC001610084878 1019610655 /nfs/dbraw/zinc/61/06/55/1019610655.db2.gz LRIRHJPAONRCCU-NXEZZACHSA-N -1 0 321.333 -0.014 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001610084091 1019611077 /nfs/dbraw/zinc/61/10/77/1019611077.db2.gz HQRNAOGYMMJDIV-WPRPVWTQSA-N -1 0 303.340 -0.498 20 0 DBADRM CCn1cncc1S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001610084187 1019611432 /nfs/dbraw/zinc/61/14/32/1019611432.db2.gz PGPYLTLRLVZCTB-IUCAKERBSA-N -1 0 303.340 -0.641 20 0 DBADRM CCn1nc(C(=O)N[C@H](CCC(=O)OC)C(=O)[O-])ccc1=O ZINC001610083659 1019611540 /nfs/dbraw/zinc/61/15/40/1019611540.db2.gz LFFIPOIXMOLUPY-SECBINFHSA-N -1 0 311.294 -0.601 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](O)C[C@H](O)C1 ZINC001610079933 1019611764 /nfs/dbraw/zinc/61/17/64/1019611764.db2.gz ZTCKSOVXNBCZSH-OCAPTIKFSA-N -1 0 319.335 -0.344 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cn1 ZINC001610082598 1019611777 /nfs/dbraw/zinc/61/17/77/1019611777.db2.gz PDKNDWQTZRKEKD-UWVGGRQHSA-N -1 0 310.310 -0.722 20 0 DBADRM CCn1nc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])ccc1=O ZINC001610083867 1019612319 /nfs/dbraw/zinc/61/23/19/1019612319.db2.gz XLROOZKTLABJMZ-JTQLQIEISA-N -1 0 305.294 -0.588 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)O1 ZINC001610093587 1019613428 /nfs/dbraw/zinc/61/34/28/1019613428.db2.gz ONMATVUTJKNDQZ-YTWAJWBKSA-N -1 0 313.354 -0.215 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)nn1 ZINC001610094409 1019613518 /nfs/dbraw/zinc/61/35/18/1019613518.db2.gz RPBGERYSAIIFFV-GFCCVEGCSA-N -1 0 313.289 -0.995 20 0 DBADRM CN(C)C(=O)CCCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001610094455 1019613675 /nfs/dbraw/zinc/61/36/75/1019613675.db2.gz IYSAMTCSUFVIQJ-SNVBAGLBSA-N -1 0 313.354 -0.563 20 0 DBADRM CN(C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)C(C1CC1)C1CC1 ZINC001610088358 1019614187 /nfs/dbraw/zinc/61/41/87/1019614187.db2.gz VROIVSAQOMDGBT-RYUDHWBXSA-N -1 0 324.377 -0.073 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNS(=O)(=O)CCCC(=O)[O-])O1 ZINC001610093581 1019614509 /nfs/dbraw/zinc/61/45/09/1019614509.db2.gz OLKREOGFXPCTSJ-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM CN(C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1)[C@@H]1CCNC1=O ZINC001610087832 1019614715 /nfs/dbraw/zinc/61/47/15/1019614715.db2.gz NZLQITLIWBOKSL-SNVBAGLBSA-N -1 0 305.290 -0.330 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)C23CC(C(=O)[O-])(C2)C3)n1 ZINC001610093711 1019614808 /nfs/dbraw/zinc/61/48/08/1019614808.db2.gz FUHVVOGVOIKZII-UHFFFAOYSA-N -1 0 307.310 -0.440 20 0 DBADRM CCn1ncc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(=O)OC)n1 ZINC001610087561 1019615249 /nfs/dbraw/zinc/61/52/49/1019615249.db2.gz IFVRQZZPMVOPIT-SCZZXKLOSA-N -1 0 310.310 -0.224 20 0 DBADRM CN(CC(=O)N[C@H](C(=O)[O-])c1cccc(O)c1)S(C)(=O)=O ZINC001610108542 1019616643 /nfs/dbraw/zinc/61/66/43/1019616643.db2.gz JOBQOGODYAYQCK-NSHDSACASA-N -1 0 316.335 -0.475 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])[C@H]1CCN(Cc2ccccc2)C1=O ZINC001610108709 1019616654 /nfs/dbraw/zinc/61/66/54/1019616654.db2.gz AFPDTCGXSOVXQW-ZDUSSCGKSA-N -1 0 319.361 -0.080 20 0 DBADRM CN(CC(=O)NC(C)(C)c1cc(C(=O)[O-])on1)S(C)(=O)=O ZINC001610108938 1019617955 /nfs/dbraw/zinc/61/79/55/1019617955.db2.gz IRIMQWATUPQBNU-UHFFFAOYSA-N -1 0 319.339 -0.385 20 0 DBADRM CN(C)c1ccc(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cn1 ZINC001610105054 1019618048 /nfs/dbraw/zinc/61/80/48/1019618048.db2.gz ISQFMWPPBZBPLF-IAZYJMLFSA-N -1 0 318.333 -0.125 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1nncn1C1CC1 ZINC001610115393 1019619934 /nfs/dbraw/zinc/61/99/34/1019619934.db2.gz VFTNPJKJAUHFHI-UHFFFAOYSA-N -1 0 303.344 -0.646 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC001610114193 1019620242 /nfs/dbraw/zinc/62/02/42/1019620242.db2.gz HIDITGBOJNJRHE-LBPRGKRZSA-N -1 0 322.383 -0.481 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC001610114459 1019620433 /nfs/dbraw/zinc/62/04/33/1019620433.db2.gz QFALVAWXVVMDGS-UWVGGRQHSA-N -1 0 319.383 -0.619 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC(F)(F)C[C@@H]1CO ZINC001610114194 1019620664 /nfs/dbraw/zinc/62/06/64/1019620664.db2.gz HRBMKBHVAPRBAZ-SSDOTTSWSA-N -1 0 302.299 -0.660 20 0 DBADRM CC[C@@H](C)CCC(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575525602 1019622678 /nfs/dbraw/zinc/62/26/78/1019622678.db2.gz LYVHPILZSDOTCQ-MRVPVSSYSA-N -1 0 311.342 -0.045 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC1=O ZINC001610132470 1019623057 /nfs/dbraw/zinc/62/30/57/1019623057.db2.gz GAKIVYKNGVPJGV-UWVGGRQHSA-N -1 0 323.349 -0.953 20 0 DBADRM CCCC1(C(=O)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001575525267 1019623728 /nfs/dbraw/zinc/62/37/28/1019623728.db2.gz KBJYOGQNOFKOIK-UHFFFAOYSA-N -1 0 309.326 -0.291 20 0 DBADRM CN1CC[C@H](C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)C1=O ZINC001610128839 1019624131 /nfs/dbraw/zinc/62/41/31/1019624131.db2.gz DSDBZPZSNQWOAL-JTQLQIEISA-N -1 0 312.322 -0.669 20 0 DBADRM CN(C(=O)CN1CCN(C)CC1)c1nc(CC(=O)[O-])cs1 ZINC001610134077 1019624214 /nfs/dbraw/zinc/62/42/14/1019624214.db2.gz HVHSOERMJKBLGC-UHFFFAOYSA-N -1 0 312.395 -0.020 20 0 DBADRM CN1CCN(CC(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1=O ZINC001610134299 1019624878 /nfs/dbraw/zinc/62/48/78/1019624878.db2.gz IGPUSUOIIFHPAU-UHFFFAOYSA-N -1 0 321.333 -0.138 20 0 DBADRM CN1C[C@H](C(=O)OCC(=O)NCC(=O)[O-])c2ccccc2C1=O ZINC001610132461 1019624913 /nfs/dbraw/zinc/62/49/13/1019624913.db2.gz FUCIILUYNIAZSN-NSHDSACASA-N -1 0 320.301 -0.400 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001610153399 1019636746 /nfs/dbraw/zinc/63/67/46/1019636746.db2.gz RITBBCULKFQCHZ-KCJUWKMLSA-N -1 0 309.340 -0.651 20 0 DBADRM CN1C[C@H](NS(=O)(=O)CC2(C(=O)[O-])CCCC2)CC1=O ZINC001610134724 1019625966 /nfs/dbraw/zinc/62/59/66/1019625966.db2.gz RQYWEMTXJPJVQD-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1ccnn1C ZINC001505954942 1019626088 /nfs/dbraw/zinc/62/60/88/1019626088.db2.gz LJWCQCMGQNOWDD-MRVPVSSYSA-N -1 0 321.341 -0.733 20 0 DBADRM CN1CCN(CC(=O)NCc2ccc(C(=O)[O-])s2)CC1=O ZINC001610135031 1019626731 /nfs/dbraw/zinc/62/67/31/1019626731.db2.gz NIEASJWIDFSSSO-UHFFFAOYSA-N -1 0 311.363 -0.164 20 0 DBADRM CN1CN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1=O ZINC001610138885 1019627115 /nfs/dbraw/zinc/62/71/15/1019627115.db2.gz NTPXBSWZZDEIIV-UHFFFAOYSA-N -1 0 302.283 -0.056 20 0 DBADRM CNC(=O)C=C(N)NOCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001610138410 1019627150 /nfs/dbraw/zinc/62/71/50/1019627150.db2.gz BLBUAZLWXOOFDJ-UHFFFAOYSA-N -1 0 314.342 -0.475 20 0 DBADRM CN1CCN([C@@H](C(=O)N[C@H](CO)C(=O)[O-])c2ccccc2)CC1 ZINC001610136324 1019628333 /nfs/dbraw/zinc/62/83/33/1019628333.db2.gz FGXAZKGTDUNGKG-ZIAGYGMSSA-N -1 0 321.377 -0.463 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001610140446 1019629602 /nfs/dbraw/zinc/62/96/02/1019629602.db2.gz OGDCEAMSWALBQU-UHFFFAOYSA-N -1 0 304.299 -0.110 20 0 DBADRM CNC(=O)NCC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610141042 1019630868 /nfs/dbraw/zinc/63/08/68/1019630868.db2.gz RVRBWEUABGVLPQ-QMMMGPOBSA-N -1 0 310.314 -0.931 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001610141800 1019631252 /nfs/dbraw/zinc/63/12/52/1019631252.db2.gz SHJAEZLJVOWVAN-ZETCQYMHSA-N -1 0 323.305 -0.417 20 0 DBADRM CNC(=O)NC(=O)CCN1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001610142055 1019631357 /nfs/dbraw/zinc/63/13/57/1019631357.db2.gz HMRFLLPFLAJYGA-RKDXNWHRSA-N -1 0 315.326 -0.830 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2ccoc2CC(=O)[O-])CC1 ZINC001610140363 1019631448 /nfs/dbraw/zinc/63/14/48/1019631448.db2.gz WLVJTKJMNLDFEU-UHFFFAOYSA-N -1 0 309.322 -0.590 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H](CCOC)C(=O)[O-])co1 ZINC001610148478 1019633363 /nfs/dbraw/zinc/63/33/63/1019633363.db2.gz IVIOMXNACIMUBU-QMMMGPOBSA-N -1 0 320.323 -0.593 20 0 DBADRM CNS(=O)(=O)NCC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001610147733 1019634376 /nfs/dbraw/zinc/63/43/76/1019634376.db2.gz TUTCKFUHSYKLQI-SECBINFHSA-N -1 0 321.399 -0.610 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CCC1 ZINC001610155330 1019635615 /nfs/dbraw/zinc/63/56/15/1019635615.db2.gz FWNATMJSDQSNKV-MYJAWHEDSA-N -1 0 317.363 -0.078 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC001610154410 1019635721 /nfs/dbraw/zinc/63/57/21/1019635721.db2.gz YQSLIAVWJKEYRM-YIZRAAEISA-N -1 0 300.311 -0.589 20 0 DBADRM COC(=O)[C@@H](Cn1ccnc1)NC(=O)c1cncc(C(=O)[O-])c1 ZINC001610153308 1019636006 /nfs/dbraw/zinc/63/60/06/1019636006.db2.gz HQUHCIHMTDZAHS-LLVKDONJSA-N -1 0 318.289 -0.052 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001610153403 1019636026 /nfs/dbraw/zinc/63/60/26/1019636026.db2.gz RITBBCULKFQCHZ-LDYMZIIASA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001610152197 1019636695 /nfs/dbraw/zinc/63/66/95/1019636695.db2.gz HRXPJYUGHAXFQM-WCBMZHEXSA-N -1 0 323.367 -0.717 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cnn(C)c1SC ZINC001610152572 1019637195 /nfs/dbraw/zinc/63/71/95/1019637195.db2.gz YPXVGNZUSBGGRD-SSDOTTSWSA-N -1 0 301.324 -0.112 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H]1CCCC12OCCO2 ZINC001610153712 1019637310 /nfs/dbraw/zinc/63/73/10/1019637310.db2.gz TZMYWOWGQSQBHP-BDAKNGLRSA-N -1 0 301.295 -0.338 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001610164252 1019638228 /nfs/dbraw/zinc/63/82/28/1019638228.db2.gz GHEBYFWFRVZQEK-NWDGAFQWSA-N -1 0 322.317 -0.069 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001610164255 1019638684 /nfs/dbraw/zinc/63/86/84/1019638684.db2.gz GHEBYFWFRVZQEK-RYUDHWBXSA-N -1 0 322.317 -0.069 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2c(C(=O)[O-])cnn2C)CCO1 ZINC001610178023 1019641006 /nfs/dbraw/zinc/64/10/06/1019641006.db2.gz KCLXJEGBXSCZMW-MRVPVSSYSA-N -1 0 312.282 -0.476 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(C(=O)[O-])c(C)n1C ZINC001610181107 1019641628 /nfs/dbraw/zinc/64/16/28/1019641628.db2.gz QPZHRNMUGAPDDQ-GFCCVEGCSA-N -1 0 323.349 -0.105 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cnn(C)c1SC)C(=O)[O-] ZINC001610177485 1019641971 /nfs/dbraw/zinc/64/19/71/1019641971.db2.gz HFJSUNRACZZHGH-ZETCQYMHSA-N -1 0 301.324 -0.112 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)[O-] ZINC001610179332 1019642523 /nfs/dbraw/zinc/64/25/23/1019642523.db2.gz UZMRSYFXANFBLD-IUCAKERBSA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)[C@@H](C(=O)[O-])C1 ZINC001610175018 1019642663 /nfs/dbraw/zinc/64/26/63/1019642663.db2.gz ZZGUUKGOQBIJMO-KXUCPTDWSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cnc2nccnc2c1)C(=O)[O-] ZINC001610179255 1019642709 /nfs/dbraw/zinc/64/27/09/1019642709.db2.gz UMEPBGZOEJOWKS-SECBINFHSA-N -1 0 304.262 -0.229 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001610176937 1019642760 /nfs/dbraw/zinc/64/27/60/1019642760.db2.gz SSUPMNWEEJDDAX-MRVPVSSYSA-N -1 0 321.351 -0.666 20 0 DBADRM COC(=O)C[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)[O-] ZINC001610179804 1019642816 /nfs/dbraw/zinc/64/28/16/1019642816.db2.gz IGYJBNOYHOVPQB-SECBINFHSA-N -1 0 321.289 -0.126 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC001610243525 1019656263 /nfs/dbraw/zinc/65/62/63/1019656263.db2.gz NZGSAHMZZMIKQF-KWQFWETISA-N -1 0 310.372 -0.738 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)Cc1cc(C)on1 ZINC001610184311 1019643874 /nfs/dbraw/zinc/64/38/74/1019643874.db2.gz WMQVWGWQTKMUIE-UHFFFAOYSA-N -1 0 306.296 -0.628 20 0 DBADRM COC(=O)CCS(=O)(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001610182981 1019643936 /nfs/dbraw/zinc/64/39/36/1019643936.db2.gz KJFIJYRQUGUNDD-UHFFFAOYSA-N -1 0 305.312 -0.419 20 0 DBADRM COC(=O)CCCCCS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001610184484 1019644331 /nfs/dbraw/zinc/64/43/31/1019644331.db2.gz RGCHRDVLUBMAJI-JTQLQIEISA-N -1 0 323.367 -0.165 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CCn2ccnc2C1)C(=O)[O-] ZINC001610182982 1019644519 /nfs/dbraw/zinc/64/45/19/1019644519.db2.gz KJQFVHZWAVIFBO-NXEZZACHSA-N -1 0 309.322 -0.032 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001610185464 1019644542 /nfs/dbraw/zinc/64/45/42/1019644542.db2.gz UVGQPUQNXUJHBR-KYZUINATSA-N -1 0 300.311 -0.717 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CCc2ncncc2C1 ZINC001610182340 1019644694 /nfs/dbraw/zinc/64/46/94/1019644694.db2.gz XZSOFTHUVIMYSK-SECBINFHSA-N -1 0 307.306 -0.332 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001610182749 1019645766 /nfs/dbraw/zinc/64/57/66/1019645766.db2.gz AOKPTCWFODPBJV-CQSZACIVSA-N -1 0 314.338 -0.231 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001610190276 1019647224 /nfs/dbraw/zinc/64/72/24/1019647224.db2.gz LCEHIZUFKDGJBW-DJLDLDEBSA-N -1 0 316.310 -0.404 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)c2cnc3cccnn32)n[n-]1 ZINC001610193785 1019648216 /nfs/dbraw/zinc/64/82/16/1019648216.db2.gz FFRICMBHEJTVMY-UHFFFAOYSA-N -1 0 307.295 -0.497 20 0 DBADRM COC(=O)NCC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001610188311 1019648505 /nfs/dbraw/zinc/64/85/05/1019648505.db2.gz RALUBVMOVDPAIJ-SFYZADRCSA-N -1 0 302.283 -0.793 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc2nnnn2c1 ZINC001610193633 1019648564 /nfs/dbraw/zinc/64/85/64/1019648564.db2.gz KLBJKNJOQWYZQH-MRVPVSSYSA-N -1 0 307.266 -0.740 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cn1 ZINC001610217909 1019649981 /nfs/dbraw/zinc/64/99/81/1019649981.db2.gz LBRHYVVNOJFMRV-MRVPVSSYSA-N -1 0 309.278 -0.421 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1C[C@H]1CCS(=O)(=O)C1 ZINC001610196233 1019650332 /nfs/dbraw/zinc/65/03/32/1019650332.db2.gz FQQRMQDTFFAGOR-SSDOTTSWSA-N -1 0 302.308 -0.197 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])cnc1C ZINC001610206912 1019651362 /nfs/dbraw/zinc/65/13/62/1019651362.db2.gz XXXUOWCCILBPCN-VIFPVBQESA-N -1 0 320.298 -0.122 20 0 DBADRM COC(=O)c1ccc(NC(=O)NC[C@H](O)CO)cc1C(=O)[O-] ZINC001610211875 1019651601 /nfs/dbraw/zinc/65/16/01/1019651601.db2.gz LBDWTWDXWXZWHW-QMMMGPOBSA-N -1 0 312.278 -0.354 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)C(F)(F)F ZINC001610228790 1019652668 /nfs/dbraw/zinc/65/26/68/1019652668.db2.gz SGSFRXBLETYYBX-NKWVEPMBSA-N -1 0 312.244 -0.387 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)c2ccnn2C)[C@@H](C(=O)[O-])C1 ZINC001610239054 1019653093 /nfs/dbraw/zinc/65/30/93/1019653093.db2.gz DAPDWESHNFEZIN-RKDXNWHRSA-N -1 0 303.340 -0.327 20 0 DBADRM CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001610237057 1019653881 /nfs/dbraw/zinc/65/38/81/1019653881.db2.gz WMDVHSMTZANGCP-WCBMZHEXSA-N -1 0 324.337 -0.012 20 0 DBADRM COC(CN(CCC(=O)[O-])C[C@@H]1CCS(=O)(=O)C1)OC ZINC001610224891 1019654167 /nfs/dbraw/zinc/65/41/67/1019654167.db2.gz ZHJDJSNPNOBFKH-JTQLQIEISA-N -1 0 309.384 -0.183 20 0 DBADRM COC1(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CCOCC1 ZINC001610230302 1019654222 /nfs/dbraw/zinc/65/42/22/1019654222.db2.gz XVCRNOUFDGDIJH-QWRGUYRKSA-N -1 0 316.354 -0.341 20 0 DBADRM CO[C@@H]1CCN(C(=O)COCc2nncn2C)[C@H](C(=O)[O-])C1 ZINC001610237172 1019654303 /nfs/dbraw/zinc/65/43/03/1019654303.db2.gz MOIUPYMYXUDQHI-ZJUUUORDSA-N -1 0 312.326 -0.578 20 0 DBADRM COC[C@](C)(NC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(=O)[O-] ZINC001610244880 1019655171 /nfs/dbraw/zinc/65/51/71/1019655171.db2.gz YFIFUABQYCUVAA-AWEZNQCLSA-N -1 0 322.321 -0.521 20 0 DBADRM COCC(=O)NC1CCN(C(=S)NCCCC(=O)[O-])CC1 ZINC001610241858 1019655246 /nfs/dbraw/zinc/65/52/46/1019655246.db2.gz SOMLRAXHIVLNCF-UHFFFAOYSA-N -1 0 317.411 -0.047 20 0 DBADRM COC[C@](C)(O)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610243304 1019655366 /nfs/dbraw/zinc/65/53/66/1019655366.db2.gz DNRIXLDVPHOXBU-RNCFNFMXSA-N -1 0 312.326 -0.463 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001610246593 1019656350 /nfs/dbraw/zinc/65/63/50/1019656350.db2.gz DGNBTSNWWGAXHK-LPEHRKFASA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@@](C)(O)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610243305 1019656825 /nfs/dbraw/zinc/65/68/25/1019656825.db2.gz DNRIXLDVPHOXBU-TVQRCGJNSA-N -1 0 312.326 -0.463 20 0 DBADRM COC[C@@H](CO)NC(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC001610245281 1019656920 /nfs/dbraw/zinc/65/69/20/1019656920.db2.gz OVWWBMVXHTYUSB-ZCFIWIBFSA-N -1 0 302.308 -0.492 20 0 DBADRM COC[C@H](NC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O)C(=O)[O-] ZINC001610246330 1019657282 /nfs/dbraw/zinc/65/72/82/1019657282.db2.gz ZGGYKABJYGCFSJ-HZMBPMFUSA-N -1 0 312.322 -0.876 20 0 DBADRM COC[C@H](NC(=O)CN1CCc2ccccc2C1=O)C(=O)[O-] ZINC001610246771 1019658630 /nfs/dbraw/zinc/65/86/30/1019658630.db2.gz WTIVZGPMUFSBOA-LBPRGKRZSA-N -1 0 306.318 -0.099 20 0 DBADRM COC[C@]1(C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)CCOC1 ZINC001610248072 1019659003 /nfs/dbraw/zinc/65/90/03/1019659003.db2.gz LHSSSDRXZUIPGW-SMDDNHRTSA-N -1 0 317.338 -0.192 20 0 DBADRM COC[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)[C@@H]1CCCO1 ZINC001610249841 1019659560 /nfs/dbraw/zinc/65/95/60/1019659560.db2.gz GZGRCWPUYCAXSX-DCAQKATOSA-N -1 0 302.327 -0.325 20 0 DBADRM COC[C@H](NC(=O)c1cnc2ccc(C)cn2c1=O)C(=O)[O-] ZINC001610248481 1019660068 /nfs/dbraw/zinc/66/00/68/1019660068.db2.gz GEAHRVIGYRYGME-JTQLQIEISA-N -1 0 305.290 -0.168 20 0 DBADRM COC[C@H](OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC001610247500 1019660165 /nfs/dbraw/zinc/66/01/65/1019660165.db2.gz DQVGVFREBQHWGB-JTQLQIEISA-N -1 0 322.273 -0.255 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)CCO1 ZINC001610253501 1019661025 /nfs/dbraw/zinc/66/10/25/1019661025.db2.gz DRLFOYRELFPMTI-GARJFASQSA-N -1 0 314.338 -0.818 20 0 DBADRM COCCN(C)CCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001610257530 1019661584 /nfs/dbraw/zinc/66/15/84/1019661584.db2.gz CEHPIBWTVDMAOA-UHFFFAOYSA-N -1 0 323.396 -0.302 20 0 DBADRM COCCCN(CCO)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001610254714 1019662508 /nfs/dbraw/zinc/66/25/08/1019662508.db2.gz ALZSLUBUSIULTF-UHFFFAOYSA-N -1 0 324.380 -0.139 20 0 DBADRM COCCC1(CNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CC1 ZINC001610256323 1019662520 /nfs/dbraw/zinc/66/25/20/1019662520.db2.gz OFUSSRBWUKNLMU-UHFFFAOYSA-N -1 0 324.337 -0.010 20 0 DBADRM COCCOCCN1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001610260914 1019662760 /nfs/dbraw/zinc/66/27/60/1019662760.db2.gz FZEKOULETQVTGI-NXEZZACHSA-N -1 0 300.311 -0.223 20 0 DBADRM COCC[C@H](NC(=O)CNC(=O)Cc1ccc(O)cc1)C(=O)[O-] ZINC001610254915 1019662853 /nfs/dbraw/zinc/66/28/53/1019662853.db2.gz ACCUTYHLCALLMV-LBPRGKRZSA-N -1 0 324.333 -0.343 20 0 DBADRM COCC[C@H](COC)NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001610254631 1019662864 /nfs/dbraw/zinc/66/28/64/1019662864.db2.gz OGWRLLGSQBMILA-NEPJUHHUSA-N -1 0 318.370 -0.095 20 0 DBADRM COCCOCC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001610262988 1019665546 /nfs/dbraw/zinc/66/55/46/1019665546.db2.gz DSOOHPSQSJVWQC-NXEZZACHSA-N -1 0 303.311 -0.486 20 0 DBADRM COCc1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)ncn1 ZINC001610267250 1019665738 /nfs/dbraw/zinc/66/57/38/1019665738.db2.gz LYNUKGIWOXKVBP-UHFFFAOYSA-N -1 0 308.294 -0.458 20 0 DBADRM COCc1cc(NC(=O)[C@H](CO)NC(N)=O)cc(C(=O)[O-])c1 ZINC001610269045 1019667250 /nfs/dbraw/zinc/66/72/50/1019667250.db2.gz NSSPIMUFGHGANC-JTQLQIEISA-N -1 0 311.294 -0.501 20 0 DBADRM COc1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])ccc1O ZINC001610280632 1019667684 /nfs/dbraw/zinc/66/76/84/1019667684.db2.gz LWFYZEJUTVWJDV-VIFPVBQESA-N -1 0 308.290 -0.184 20 0 DBADRM COc1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)ccc1C(=O)[O-] ZINC001610301157 1019667730 /nfs/dbraw/zinc/66/77/30/1019667730.db2.gz SPDOHPDWLBUBQZ-QMMMGPOBSA-N -1 0 307.262 -0.070 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)ncn1 ZINC001610297150 1019667905 /nfs/dbraw/zinc/66/79/05/1019667905.db2.gz CCNFZPQYPQFKPO-CYBMUJFWSA-N -1 0 308.294 -0.253 20 0 DBADRM COc1ccc([C@@H](NC(=O)C(=O)NC2CC2)C(=O)[O-])cc1O ZINC001610321812 1019669619 /nfs/dbraw/zinc/66/96/19/1019669619.db2.gz SGWQBSCGBGBDQT-LLVKDONJSA-N -1 0 308.290 -0.079 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](CF)C(=O)[O-] ZINC001610349048 1019670403 /nfs/dbraw/zinc/67/04/03/1019670403.db2.gz DAAOQDPCPYUNHS-MRVPVSSYSA-N -1 0 320.298 -0.505 20 0 DBADRM COc1ccc(-n2nnc(C(=O)N[C@H](CO)C(=O)[O-])c2C)cc1 ZINC001610311987 1019670541 /nfs/dbraw/zinc/67/05/41/1019670541.db2.gz CRQNQELVSMERTE-LLVKDONJSA-N -1 0 320.305 -0.240 20 0 DBADRM COc1cccc(C[C@H](O)C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC001610354641 1019670563 /nfs/dbraw/zinc/67/05/63/1019670563.db2.gz ATJXEFDJQHFDCV-WXHSDQCUSA-N -1 0 309.318 -0.355 20 0 DBADRM COc1cccc([C@@H](O)C(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC001610355901 1019670606 /nfs/dbraw/zinc/67/06/06/1019670606.db2.gz XTMYKSCSWJBBEJ-GFCCVEGCSA-N -1 0 320.305 -0.165 20 0 DBADRM COc1ccc([C@@H](NC(=O)C2(NC(N)=O)CC2)C(=O)[O-])cc1O ZINC001610320966 1019670703 /nfs/dbraw/zinc/67/07/03/1019670703.db2.gz MQAGTEIVNQXZED-SNVBAGLBSA-N -1 0 323.305 -0.156 20 0 DBADRM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[C@@](O)(C(N)=O)C2)c1 ZINC001610307637 1019670988 /nfs/dbraw/zinc/67/09/88/1019670988.db2.gz UNICUEUIRNWZJH-WFASDCNBSA-N -1 0 324.333 -0.248 20 0 DBADRM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[C@](O)(C(N)=O)C2)c1 ZINC001610307635 1019671147 /nfs/dbraw/zinc/67/11/47/1019671147.db2.gz UNICUEUIRNWZJH-SWLSCSKDSA-N -1 0 324.333 -0.248 20 0 DBADRM COc1cc(NC(=O)NCCn2cc(C(=O)[O-])nn2)ncn1 ZINC001610302690 1019671267 /nfs/dbraw/zinc/67/12/67/1019671267.db2.gz QZHMBQQNWRKXEK-UHFFFAOYSA-N -1 0 307.270 -0.403 20 0 DBADRM COc1cccc(C[C@@H](O)C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC001610354639 1019671373 /nfs/dbraw/zinc/67/13/73/1019671373.db2.gz ATJXEFDJQHFDCV-KGYLQXTDSA-N -1 0 309.318 -0.355 20 0 DBADRM COc1ccc(NC(=O)COCC(=O)[O-])cc1OCC(N)=O ZINC001610340960 1019671596 /nfs/dbraw/zinc/67/15/96/1019671596.db2.gz RNVFDSKRBBIGLQ-UHFFFAOYSA-N -1 0 312.278 -0.401 20 0 DBADRM COc1ccc([C@H](NC(=O)[C@H]2CCC(=O)N2)C(=O)[O-])cc1O ZINC001610319671 1019671814 /nfs/dbraw/zinc/67/18/14/1019671814.db2.gz FYLZIPHRTNQNOR-PELKAZGASA-N -1 0 308.290 -0.079 20 0 DBADRM CCOC(=O)N1CCC(NC(=O)C(=O)NCCC(=O)[O-])CC1 ZINC001610330766 1019671828 /nfs/dbraw/zinc/67/18/28/1019671828.db2.gz FPXYGUKNYVMMQT-UHFFFAOYSA-N -1 0 315.326 -0.686 20 0 DBADRM CS(=O)(=O)CCN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610373164 1019673399 /nfs/dbraw/zinc/67/33/99/1019673399.db2.gz OYTNFJJBBYEOQE-VIFPVBQESA-N -1 0 302.356 -0.342 20 0 DBADRM CS(=O)(=O)CCCC(=O)N[C@@H](Cn1ccnc1)C(=O)[O-] ZINC001610373659 1019673840 /nfs/dbraw/zinc/67/38/40/1019673840.db2.gz UGHAQMMACBWRRM-VIFPVBQESA-N -1 0 303.340 -0.723 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])no2)C1 ZINC001610372630 1019673988 /nfs/dbraw/zinc/67/39/88/1019673988.db2.gz QSHNPIXCRWXYPM-SSDOTTSWSA-N -1 0 302.308 -0.121 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC001610373544 1019674140 /nfs/dbraw/zinc/67/41/40/1019674140.db2.gz YSLNSUZKDFZERU-JGVFFNPUSA-N -1 0 308.294 -0.207 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CCCC1 ZINC001610373244 1019674669 /nfs/dbraw/zinc/67/46/69/1019674669.db2.gz SFNLCLSCRNNXML-ZJUUUORDSA-N -1 0 319.379 -0.362 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001610373298 1019674703 /nfs/dbraw/zinc/67/47/03/1019674703.db2.gz VUZTVGFEWZJQIE-QMMMGPOBSA-N -1 0 310.310 -0.263 20 0 DBADRM CSc1c(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])cnn1C ZINC001610385567 1019675767 /nfs/dbraw/zinc/67/57/67/1019675767.db2.gz HTQIFQPWVYIDBM-ZCFIWIBFSA-N -1 0 301.324 -0.112 20 0 DBADRM C[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC001610393823 1019675817 /nfs/dbraw/zinc/67/58/17/1019675817.db2.gz DQXBOQAQRXZGCL-ANRSDYALSA-N -1 0 320.301 -0.377 20 0 DBADRM CS(=O)(=O)c1ccc(=O)n(C[C@H]2CC(C(=O)[O-])=NO2)c1 ZINC001610378084 1019676019 /nfs/dbraw/zinc/67/60/19/1019676019.db2.gz UZPZKSGNFHPLLI-SSDOTTSWSA-N -1 0 300.292 -0.519 20 0 DBADRM C[S@@](=O)C1(CNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])CC1 ZINC001610378665 1019676707 /nfs/dbraw/zinc/67/67/07/1019676707.db2.gz DKSVYGMMGBJSJU-JLTPVHFHSA-N -1 0 316.379 -0.521 20 0 DBADRM CSc1c(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])cnn1C ZINC001610385566 1019677397 /nfs/dbraw/zinc/67/73/97/1019677397.db2.gz HTQIFQPWVYIDBM-LURJTMIESA-N -1 0 301.324 -0.112 20 0 DBADRM CCS(=O)(=O)CCn1cc(C)c(NC(=O)NCC(=O)[O-])n1 ZINC001610383273 1019677549 /nfs/dbraw/zinc/67/75/49/1019677549.db2.gz SOVQRAUPTXPKRT-UHFFFAOYSA-N -1 0 318.355 -0.168 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)C[C@H]1C(=O)[O-] ZINC001610392877 1019677829 /nfs/dbraw/zinc/67/78/29/1019677829.db2.gz ONOFHKIOOYMQMM-DVVUODLYSA-N -1 0 320.349 -0.438 20 0 DBADRM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)nnn1-c1ccn(C)n1 ZINC001610405614 1019678896 /nfs/dbraw/zinc/67/88/96/1019678896.db2.gz OPKLDACMNYIPCQ-VIFPVBQESA-N -1 0 304.310 -0.144 20 0 DBADRM Cc1c([C@H](C)NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cnn1C ZINC001610411027 1019678961 /nfs/dbraw/zinc/67/89/61/1019678961.db2.gz KCPCYINKPXZMSZ-GZMMTYOYSA-N -1 0 324.337 -0.782 20 0 DBADRM Cc1c(NC(=O)[C@H]2CCS(=O)(=O)C2)cnn1CC(=O)[O-] ZINC001610422135 1019679258 /nfs/dbraw/zinc/67/92/58/1019679258.db2.gz LCOYDNLUXLOFMP-QMMMGPOBSA-N -1 0 301.324 -0.351 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCn2cccn2)cnn1CC(=O)[O-] ZINC001610419038 1019679578 /nfs/dbraw/zinc/67/95/78/1019679578.db2.gz KVOPSPVBGCPNHD-UHFFFAOYSA-N -1 0 320.309 -0.772 20 0 DBADRM Cc1c(S(=O)(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)cnn1C ZINC001610428454 1019679883 /nfs/dbraw/zinc/67/98/83/1019679883.db2.gz PDHGULAMPKPMJL-JTQLQIEISA-N -1 0 313.339 -0.434 20 0 DBADRM C[C@H](NC(N)=O)C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001610395133 1019679961 /nfs/dbraw/zinc/67/99/61/1019679961.db2.gz PQWOFFJSANIDCV-ZETCQYMHSA-N -1 0 310.314 -0.803 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCn2cccn2)c(C(=O)[O-])[nH]1 ZINC001610470889 1019682166 /nfs/dbraw/zinc/68/21/66/1019682166.db2.gz ISTIQQAPXCYVBI-UHFFFAOYSA-N -1 0 305.294 -0.027 20 0 DBADRM Cc1cc(N2CC[C@H](N3C[C@H](O)C[C@H](C(=O)[O-])C3)C2=O)n(C)n1 ZINC001610469101 1019682216 /nfs/dbraw/zinc/68/22/16/1019682216.db2.gz GJFDZHZXUWCOMC-TUAOUCFPSA-N -1 0 322.365 -0.399 20 0 DBADRM Cc1cc(CS(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)on1 ZINC001610461025 1019682268 /nfs/dbraw/zinc/68/22/68/1019682268.db2.gz BYIFIUVRAHMCRY-JTQLQIEISA-N -1 0 314.323 -0.038 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)n(C)n1 ZINC001610468806 1019682568 /nfs/dbraw/zinc/68/25/68/1019682568.db2.gz CEJJMFGCVACCEU-LLVKDONJSA-N -1 0 324.337 -0.649 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(CCO)CCCO)c(C(=O)[O-])[nH]1 ZINC001610468413 1019682686 /nfs/dbraw/zinc/68/26/86/1019682686.db2.gz YSDNFOAPQZOSDU-UHFFFAOYSA-N -1 0 313.310 -0.837 20 0 DBADRM CCN1C(=S)N=NC1CCNC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001610463016 1019683905 /nfs/dbraw/zinc/68/39/05/1019683905.db2.gz PKMAATRHTLOFFN-SSDOTTSWSA-N -1 0 313.339 -0.525 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC(O)(C3CC3)C2)c(C(=O)[O-])[nH]1 ZINC001610469269 1019684309 /nfs/dbraw/zinc/68/43/09/1019684309.db2.gz KMBHITXHFHNTOM-UHFFFAOYSA-N -1 0 307.306 -0.057 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@@H](O)C(F)(F)F)c(C(=O)[O-])[nH]1 ZINC001610472053 1019684383 /nfs/dbraw/zinc/68/43/83/1019684383.db2.gz RXWISKZVXBXJPP-ZCFIWIBFSA-N -1 0 323.227 -0.001 20 0 DBADRM Cc1cncc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1 ZINC001610540684 1019685727 /nfs/dbraw/zinc/68/57/27/1019685727.db2.gz KBTOXCLROIJZMN-KOLCDFICSA-N -1 0 307.306 -0.377 20 0 DBADRM Cc1ccnc2nc(C(=O)N3CCC([C@@H](O)C(=O)[O-])CC3)nn21 ZINC001610535853 1019686070 /nfs/dbraw/zinc/68/60/70/1019686070.db2.gz FBKIVAYZZLNKIQ-SNVBAGLBSA-N -1 0 319.321 -0.270 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N(CCO)CCCO)cc1C(=O)[O-] ZINC001610503966 1019686876 /nfs/dbraw/zinc/68/68/76/1019686876.db2.gz HNULHXDRXRJICI-UHFFFAOYSA-N -1 0 324.333 -0.165 20 0 DBADRM Cc1ccc([C@@H](CNC(=O)CN2C(=O)CNC2=O)C(=O)[O-])cc1 ZINC001610492667 1019686983 /nfs/dbraw/zinc/68/69/83/1019686983.db2.gz PHPLKLRIRMXESD-LLVKDONJSA-N -1 0 319.317 -0.169 20 0 DBADRM Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@@H](CO)C(=O)[O-])c1C ZINC001610478606 1019687000 /nfs/dbraw/zinc/68/70/00/1019687000.db2.gz OFGCMPAMAIBWNZ-JTQLQIEISA-N -1 0 316.335 -0.874 20 0 DBADRM Cc1cncc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1 ZINC001610540685 1019687069 /nfs/dbraw/zinc/68/70/69/1019687069.db2.gz KBTOXCLROIJZMN-MWLCHTKSSA-N -1 0 307.306 -0.377 20 0 DBADRM Cc1nn(C)c(Br)c1C(=O)NC[C@H](O)C(=O)[O-] ZINC001610568749 1019688163 /nfs/dbraw/zinc/68/81/63/1019688163.db2.gz KBEMDHRQAVCSBU-YFKPBYRVSA-N -1 0 306.116 -0.334 20 0 DBADRM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@@H](CO)C(N)=O)c12 ZINC001610558755 1019688441 /nfs/dbraw/zinc/68/84/41/1019688441.db2.gz ZXNLNQCWOUHHJO-LURJTMIESA-N -1 0 310.335 -0.314 20 0 DBADRM Cc1nc(C(=O)NCCn2cc(C(=O)[O-])nn2)c(=O)[nH]c1C ZINC001610551969 1019688678 /nfs/dbraw/zinc/68/86/78/1019688678.db2.gz FXKLCOKCVJAQBM-UHFFFAOYSA-N -1 0 306.282 -0.481 20 0 DBADRM Cc1nc2ccc(NC(=O)Cn3cc(C(=O)[O-])nn3)cn2n1 ZINC001610560851 1019689330 /nfs/dbraw/zinc/68/93/30/1019689330.db2.gz UOZNVZYDUFSUGJ-UHFFFAOYSA-N -1 0 301.266 -0.034 20 0 DBADRM Cc1nn(C)c(Br)c1C(=O)N[C@H](CO)C(=O)[O-] ZINC001610568308 1019689480 /nfs/dbraw/zinc/68/94/80/1019689480.db2.gz FUBPDUJNIVUAAK-RXMQYKEDSA-N -1 0 306.116 -0.334 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCc2cnn(C)c2C)c1C(=O)[O-] ZINC001610550049 1019689530 /nfs/dbraw/zinc/68/95/30/1019689530.db2.gz VUBOHFODMONJCF-UHFFFAOYSA-N -1 0 313.339 -0.063 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001610565241 1019689561 /nfs/dbraw/zinc/68/95/61/1019689561.db2.gz KYTFJDRJDKEDHL-MWLCHTKSSA-N -1 0 308.338 -0.371 20 0 DBADRM Cc1nc2ccc(N3CCC[C@H]3C(=O)NCC(=O)[O-])nn2n1 ZINC001610560346 1019689865 /nfs/dbraw/zinc/68/98/65/1019689865.db2.gz GVQQGTIBZOISRK-VIFPVBQESA-N -1 0 304.310 -0.398 20 0 DBADRM Cc1n[nH]c(C)c1CCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001610550918 1019689930 /nfs/dbraw/zinc/68/99/30/1019689930.db2.gz NIRALQBXZVPTGK-LLVKDONJSA-N -1 0 308.338 -0.239 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H]2CCCNC2=O)cc1C(=O)[O-] ZINC001610564017 1019690065 /nfs/dbraw/zinc/69/00/65/1019690065.db2.gz WFKBCFHITFNIPT-JTQLQIEISA-N -1 0 313.335 -0.355 20 0 DBADRM Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001610569611 1019691572 /nfs/dbraw/zinc/69/15/72/1019691572.db2.gz KQFACTVXQYUXNA-KWQFWETISA-N -1 0 324.337 -0.782 20 0 DBADRM Cc1occc1C(=O)NCC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001610588119 1019691853 /nfs/dbraw/zinc/69/18/53/1019691853.db2.gz OMRSKXGPLYQEQX-NXEZZACHSA-N -1 0 310.306 -0.388 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001610569339 1019692263 /nfs/dbraw/zinc/69/22/63/1019692263.db2.gz AGKPCQDQLZMGFT-SNVBAGLBSA-N -1 0 316.383 -0.635 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])n1 ZINC001610575873 1019692555 /nfs/dbraw/zinc/69/25/55/1019692555.db2.gz FDYNCWJHWWDYDO-SECBINFHSA-N -1 0 310.310 -0.498 20 0 DBADRM Cc1oc(S(=O)(=O)N(C)CC(=O)N(C)C)cc1C(=O)[O-] ZINC001610587559 1019692798 /nfs/dbraw/zinc/69/27/98/1019692798.db2.gz OSLREWIXUAFYPD-UHFFFAOYSA-N -1 0 304.324 -0.005 20 0 DBADRM Cc1nnnn1/C(=C/c1ccccc1)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001610574602 1019692942 /nfs/dbraw/zinc/69/29/42/1019692942.db2.gz VZRSMBNEWHXFHO-WBOGTDJTSA-N -1 0 317.305 -0.459 20 0 DBADRM Cc1nnc(CNC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)n1C ZINC001610571874 1019693059 /nfs/dbraw/zinc/69/30/59/1019693059.db2.gz RMBYJIXQWATINM-NSHDSACASA-N -1 0 311.342 -0.509 20 0 DBADRM Cn1c(=O)ccn(CC(=O)OCc2occc2C(=O)[O-])c1=O ZINC001610595099 1019694305 /nfs/dbraw/zinc/69/43/05/1019694305.db2.gz DKQORYQNWJEKAY-UHFFFAOYSA-N -1 0 308.246 -0.418 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)Nc2cccc(CC(=O)[O-])n2)c1=O ZINC001610594352 1019694322 /nfs/dbraw/zinc/69/43/22/1019694322.db2.gz LEVOXOLKUMLFJO-UHFFFAOYSA-N -1 0 304.262 -0.240 20 0 DBADRM Cn1cc([C@@H]2C[S@](=O)CCN2C[C@](C)(O)C(=O)[O-])cn1 ZINC001610602182 1019694619 /nfs/dbraw/zinc/69/46/19/1019694619.db2.gz TZXFEWVFZRNCMC-GXUQNELRSA-N -1 0 301.368 -0.639 20 0 DBADRM Cn1cc(C(=O)OCC(=O)NC2(C(=O)[O-])CCCCC2)nn1 ZINC001610600656 1019694674 /nfs/dbraw/zinc/69/46/74/1019694674.db2.gz GFNKDHMIYODPKT-UHFFFAOYSA-N -1 0 310.310 -0.124 20 0 DBADRM Cn1c(CO)nn(CN2CCOC[C@@H]2CC(=O)[O-])c1=S ZINC001610598442 1019694752 /nfs/dbraw/zinc/69/47/52/1019694752.db2.gz RSOXEBNCWUMHMJ-QMMMGPOBSA-N -1 0 302.356 -0.424 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCCN(CC(N)=O)CC1 ZINC001610597344 1019695973 /nfs/dbraw/zinc/69/59/73/1019695973.db2.gz XKGNUSHPUUBSTO-UHFFFAOYSA-N -1 0 308.338 -0.644 20 0 DBADRM Cc1onc2c1c(C(=O)[O-])nn(CN1CN(C)C(=O)[C@@H]1C)c2=O ZINC001610589069 1019696219 /nfs/dbraw/zinc/69/62/19/1019696219.db2.gz ZEQOYVMSOWLWOO-LURJTMIESA-N -1 0 321.293 -0.531 20 0 DBADRM Cn1cc2c(n1)CCC[C@H]2NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001610607392 1019696869 /nfs/dbraw/zinc/69/68/69/1019696869.db2.gz ZGKPHVRAIBXQBI-SECBINFHSA-N -1 0 304.310 -0.096 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)cn1 ZINC001610603954 1019697348 /nfs/dbraw/zinc/69/73/48/1019697348.db2.gz WWRNLLNBBGWSLA-CHWSQXEVSA-N -1 0 319.317 -0.029 20 0 DBADRM Cn1cnc(C(=O)N2CCN(c3ccc(C(=O)[O-])nn3)CC2)c1 ZINC001610610631 1019697425 /nfs/dbraw/zinc/69/74/25/1019697425.db2.gz AGOHCHYGGIBIST-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cn1 ZINC001610603276 1019697468 /nfs/dbraw/zinc/69/74/68/1019697468.db2.gz GHZQQVZZGQVZAX-SFYZADRCSA-N -1 0 309.244 -0.155 20 0 DBADRM Cn1cc(N2CCN(c3nccnc3C(=O)[O-])CC2=O)cn1 ZINC001610605195 1019697677 /nfs/dbraw/zinc/69/76/77/1019697677.db2.gz UJTABZJNBXJDGF-UHFFFAOYSA-N -1 0 302.294 -0.239 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cn1 ZINC001610603274 1019698083 /nfs/dbraw/zinc/69/80/83/1019698083.db2.gz GHZQQVZZGQVZAX-HTQZYQBOSA-N -1 0 309.244 -0.155 20 0 DBADRM Cn1ccnc1S(=O)(=O)Cc1noc(CCC(=O)[O-])n1 ZINC001610610903 1019698314 /nfs/dbraw/zinc/69/83/14/1019698314.db2.gz UCLCYFXEHUWUKT-UHFFFAOYSA-N -1 0 300.296 -0.206 20 0 DBADRM Cn1cnn(CCC(=O)NCc2ccc(C(=O)[O-])cc2)c1=O ZINC001610611916 1019699981 /nfs/dbraw/zinc/69/99/81/1019699981.db2.gz HSNWUUYGYHUZQX-UHFFFAOYSA-N -1 0 304.306 -0.014 20 0 DBADRM Cn1ncc(CCCNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n1 ZINC001610614591 1019701512 /nfs/dbraw/zinc/70/15/12/1019701512.db2.gz UYVLEADOIPJCGW-MWLCHTKSSA-N -1 0 311.342 -0.775 20 0 DBADRM Cn1cnc2c1nccc2C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001610611245 1019701770 /nfs/dbraw/zinc/70/17/70/1019701770.db2.gz KACWCQWOYGGFQL-UHFFFAOYSA-N -1 0 315.293 -0.312 20 0 DBADRM C/C(=C/C(=O)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001575734625 1019701914 /nfs/dbraw/zinc/70/19/14/1019701914.db2.gz WNCLNWPPFCKDRD-CLFYSBASSA-N -1 0 323.353 -0.332 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)OCC(=O)NCCC(=O)[O-])CC2 ZINC001610617219 1019702315 /nfs/dbraw/zinc/70/23/15/1019702315.db2.gz RSXOGLSARKWMMN-MRVPVSSYSA-N -1 0 310.310 -0.946 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001610617275 1019704545 /nfs/dbraw/zinc/70/45/45/1019704545.db2.gz UXWGKZIMRGOMJN-MRVPVSSYSA-N -1 0 305.294 -0.321 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001610634464 1019704827 /nfs/dbraw/zinc/70/48/27/1019704827.db2.gz CHSVUBDNXFVVKI-VIFPVBQESA-N -1 0 305.290 -0.343 20 0 DBADRM NC(=O)N[C@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)C1 ZINC001610638346 1019708113 /nfs/dbraw/zinc/70/81/13/1019708113.db2.gz LSAOEKYWKRPHFR-VIFPVBQESA-N -1 0 319.383 -0.296 20 0 DBADRM NC(=O)N1CCN2C(=O)N(CC3(CC(=O)[O-])CC3)C(=O)[C@H]2C1 ZINC001610638585 1019708434 /nfs/dbraw/zinc/70/84/34/1019708434.db2.gz HHLFQVCQQCCXKA-MRVPVSSYSA-N -1 0 310.310 -0.732 20 0 DBADRM NC(=O)c1ccc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cn1 ZINC001610639653 1019708871 /nfs/dbraw/zinc/70/88/71/1019708871.db2.gz SLUJHVSVVDAFJX-ZUZCIYMTSA-N -1 0 319.317 -0.256 20 0 DBADRM NC(=O)c1ncn(CC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC001610640730 1019709161 /nfs/dbraw/zinc/70/91/61/1019709161.db2.gz COIOZFHIXFXTJZ-SECBINFHSA-N -1 0 315.289 -0.408 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])nn1 ZINC001610638371 1019710293 /nfs/dbraw/zinc/71/02/93/1019710293.db2.gz DELALWRRXJANNC-SNVBAGLBSA-N -1 0 323.353 -0.083 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])cn1 ZINC001610647882 1019711631 /nfs/dbraw/zinc/71/16/31/1019711631.db2.gz SHSAOBDBGHUUMM-DTWKUNHWSA-N -1 0 313.335 -0.288 20 0 DBADRM CC1(C)C[C@@H]1NC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001575752073 1019711656 /nfs/dbraw/zinc/71/16/56/1019711656.db2.gz RIIKCVRSMQLSDG-QMMMGPOBSA-N -1 0 319.325 -0.566 20 0 DBADRM NS(=O)(=O)c1ccc(N2C[C@H]3[C@H](CO)[C@H]3C2)c(C(=O)[O-])c1 ZINC001610646251 1019712413 /nfs/dbraw/zinc/71/24/13/1019712413.db2.gz AVWZKYMEGBZMQB-URLYPYJESA-N -1 0 312.347 -0.293 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(c2cncc(C(=O)[O-])n2)C1 ZINC001610646069 1019713181 /nfs/dbraw/zinc/71/31/81/1019713181.db2.gz ZJGXXXHUMLBKSH-QMMMGPOBSA-N -1 0 300.340 -0.320 20 0 DBADRM Nc1c(NC(=O)CN2CCCS2(=O)=O)cccc1C(=O)[O-] ZINC001610646554 1019713216 /nfs/dbraw/zinc/71/32/16/1019713216.db2.gz OVATWVGSAGXDAO-UHFFFAOYSA-N -1 0 313.335 -0.059 20 0 DBADRM O=C([O-])c1ccccc1CCC(=O)NCCN1CCNC(=O)C1 ZINC001610659531 1019713685 /nfs/dbraw/zinc/71/36/85/1019713685.db2.gz BZYKZQATWAAFEN-UHFFFAOYSA-N -1 0 319.361 -0.135 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)CCn1nnc2ccccc2c1=O ZINC001610661510 1019713913 /nfs/dbraw/zinc/71/39/13/1019713913.db2.gz AWQOODFAUIPTSZ-SNVBAGLBSA-N -1 0 308.269 -0.280 20 0 DBADRM CS(=O)(=O)c1cccnc1CNC(=O)NCCC(=O)[O-] ZINC001611083376 1019756033 /nfs/dbraw/zinc/75/60/33/1019756033.db2.gz HGIWQWIICVXODY-UHFFFAOYSA-N -1 0 301.324 -0.241 20 0 DBADRM O=C(CC(F)(F)F)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001506083665 1019716460 /nfs/dbraw/zinc/71/64/60/1019716460.db2.gz CGWUIVMVWLVFHK-UHFFFAOYSA-N -1 0 323.275 -0.484 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCn1cnc2sccc2c1=O ZINC001610661073 1019716390 /nfs/dbraw/zinc/71/63/90/1019716390.db2.gz VPPOWDHZNUTNPG-MRVPVSSYSA-N -1 0 311.319 -0.590 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2cn(Cc3ccccn3)nn2)CCOC1 ZINC001610683556 1019717362 /nfs/dbraw/zinc/71/73/62/1019717362.db2.gz VJRMFGLFNMZYGS-AWEZNQCLSA-N -1 0 317.305 -0.305 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC001610665011 1019717514 /nfs/dbraw/zinc/71/75/14/1019717514.db2.gz REIJQJZZRKAOSX-LLVKDONJSA-N -1 0 305.290 -0.541 20 0 DBADRM O=C([O-])c1ccc(C(=O)OCC(=O)NCC(=O)N2CCCC2)[nH]1 ZINC001610667968 1019717661 /nfs/dbraw/zinc/71/76/61/1019717661.db2.gz OHHFSYBSNXOSET-UHFFFAOYSA-N -1 0 323.305 -0.392 20 0 DBADRM O=C([O-])C1(NC(=O)c2cc(F)c[nH]2)CCS(=O)(=O)CC1 ZINC001610683275 1019717942 /nfs/dbraw/zinc/71/79/42/1019717942.db2.gz HWCGXMWPRWXIGQ-UHFFFAOYSA-N -1 0 304.299 -0.084 20 0 DBADRM O=C([O-])c1cn(CC(=O)OCCCNC(=O)C(F)(F)F)nn1 ZINC001610677792 1019718617 /nfs/dbraw/zinc/71/86/17/1019718617.db2.gz NKMAOBBKJHLFQA-UHFFFAOYSA-N -1 0 324.215 -0.412 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CCNC(=O)Cc1ccccc1 ZINC001610674743 1019718812 /nfs/dbraw/zinc/71/88/12/1019718812.db2.gz GUWMEKJJDLQFSG-OLZOCXBDSA-N -1 0 320.345 -0.218 20 0 DBADRM O=C([O-])C1(NC(=O)COC(=O)C2(CO)COC2)CCCCC1 ZINC001610668234 1019718873 /nfs/dbraw/zinc/71/88/73/1019718873.db2.gz WLIDVFVPTLPDHH-UHFFFAOYSA-N -1 0 315.322 -0.558 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC(C2CC2)C2CC2)C1 ZINC001610681508 1019719065 /nfs/dbraw/zinc/71/90/65/1019719065.db2.gz MULSMXLAVYYNDW-MNOVXSKESA-N -1 0 310.350 -0.415 20 0 DBADRM O=C([O-])c1cc(Cl)cc(NC(=O)C(=O)NC[C@H](O)CO)c1 ZINC001610688970 1019719891 /nfs/dbraw/zinc/71/98/91/1019719891.db2.gz YDXYTAAKVVSKEW-VIFPVBQESA-N -1 0 316.697 -0.554 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@H]2CCc3nncn3C2)CCOCC1 ZINC001610689466 1019720152 /nfs/dbraw/zinc/72/01/52/1019720152.db2.gz BACRLKGXLRKDRO-JTQLQIEISA-N -1 0 308.338 -0.162 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(C(=O)C(=O)NC[C@@H]1CCCO1)CC2 ZINC001610692186 1019720389 /nfs/dbraw/zinc/72/03/89/1019720389.db2.gz USPMQMTXERSWNP-QWRGUYRKSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)no1 ZINC001610691384 1019721077 /nfs/dbraw/zinc/72/10/77/1019721077.db2.gz OHEYKULMVUQLTF-ZETCQYMHSA-N -1 0 302.308 -0.073 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@H]2CCn3ccnc3C2)CC1 ZINC001610688503 1019721096 /nfs/dbraw/zinc/72/10/96/1019721096.db2.gz ZXAWJWKIOXRGRN-NSHDSACASA-N -1 0 320.349 -0.363 20 0 DBADRM C/C=C(/C)C(=O)NCCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001575771171 1019721105 /nfs/dbraw/zinc/72/11/05/1019721105.db2.gz XMQZIIGRRVVYPL-OQFOIZHKSA-N -1 0 323.353 -0.196 20 0 DBADRM C/C=C(\C)C(=O)NCCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001575771172 1019721856 /nfs/dbraw/zinc/72/18/56/1019721856.db2.gz XMQZIIGRRVVYPL-YCRREMRBSA-N -1 0 323.353 -0.196 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)c1cnn2c1OCCC2 ZINC001610701452 1019722887 /nfs/dbraw/zinc/72/28/87/1019722887.db2.gz KCEMYXWSEHBFBY-JTQLQIEISA-N -1 0 305.294 -0.186 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N(CCO)Cc1ccccc1 ZINC001610702614 1019723132 /nfs/dbraw/zinc/72/31/32/1019723132.db2.gz NYDWCNFDVITNJS-BETUJISGSA-N -1 0 320.345 -0.013 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC001610725090 1019723148 /nfs/dbraw/zinc/72/31/48/1019723148.db2.gz ZGDUYWUILIFEFM-NSHDSACASA-N -1 0 306.384 -0.125 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1cc(N2CCOC2=O)ccc1F ZINC001610701841 1019724169 /nfs/dbraw/zinc/72/41/69/1019724169.db2.gz NHIKUTNWEMQMIA-JTQLQIEISA-N -1 0 312.253 -0.042 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)[C@@H](C)n2cncn2)c1[O-] ZINC001575784124 1019724143 /nfs/dbraw/zinc/72/41/43/1019724143.db2.gz PXQAAIPNJYLZKK-SECBINFHSA-N -1 0 321.341 -0.487 20 0 DBADRM O=C([O-])C1(NC(=O)C(=O)Nc2ccccc2-n2cncn2)CC1 ZINC001610711031 1019724329 /nfs/dbraw/zinc/72/43/29/1019724329.db2.gz ZLDDMMJWJNGMME-UHFFFAOYSA-N -1 0 315.289 -0.061 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2cc3c(cn2)OCCO3)C1 ZINC001610737070 1019724801 /nfs/dbraw/zinc/72/48/01/1019724801.db2.gz IYCGCEPOALAHMB-IUCAKERBSA-N -1 0 308.290 -0.240 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC001610737387 1019725343 /nfs/dbraw/zinc/72/53/43/1019725343.db2.gz KQLRYFKOJVUHTI-KKZNHRDASA-N -1 0 311.338 -0.773 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001610735213 1019725422 /nfs/dbraw/zinc/72/54/22/1019725422.db2.gz FJGSCAXTNXAJQC-HTQZYQBOSA-N -1 0 306.278 -0.429 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2cc3c(cn2)OCCO3)C1 ZINC001610737067 1019725456 /nfs/dbraw/zinc/72/54/56/1019725456.db2.gz IYCGCEPOALAHMB-BDAKNGLRSA-N -1 0 308.290 -0.240 20 0 DBADRM O=C([O-])C1(O)CCN(S(=O)(=O)C[C@H]2CCCOC2)CC1 ZINC001610729993 1019726092 /nfs/dbraw/zinc/72/60/92/1019726092.db2.gz NWIHBTAURNMWAK-JTQLQIEISA-N -1 0 307.368 -0.346 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001610735216 1019726221 /nfs/dbraw/zinc/72/62/21/1019726221.db2.gz FJGSCAXTNXAJQC-JGVFFNPUSA-N -1 0 306.278 -0.429 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)[C@H]1CCCCS1(=O)=O ZINC001610733375 1019726772 /nfs/dbraw/zinc/72/67/72/1019726772.db2.gz RUGAIQCJVXNEEU-BBBLOLIVSA-N -1 0 305.352 -0.610 20 0 DBADRM O=C([O-])CC1(CNS(=O)(=O)c2c[nH]cn2)CCOCC1 ZINC001610754815 1019729482 /nfs/dbraw/zinc/72/94/82/1019729482.db2.gz IRMJGNLSUUGJJB-UHFFFAOYSA-N -1 0 303.340 -0.041 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC[C@@H](O)CN2CCCC2=O)C1 ZINC001610739979 1019729499 /nfs/dbraw/zinc/72/94/99/1019729499.db2.gz CHZOOALQRWQHHX-QJPTWQEYSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H]1COCCN1Cc1nnnn1CC1CCOCC1 ZINC001610746854 1019729574 /nfs/dbraw/zinc/72/95/74/1019729574.db2.gz SAWCYUCPWUVFHO-NSHDSACASA-N -1 0 311.342 -0.615 20 0 DBADRM O=C([O-])CC1(NC(=O)CCn2cc[nH]c(=O)c2=O)CCCC1 ZINC001610756608 1019730376 /nfs/dbraw/zinc/73/03/76/1019730376.db2.gz GCHDJYIYCLWNET-UHFFFAOYSA-N -1 0 309.322 -0.170 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cnn2c1OCCC2 ZINC001610761375 1019731085 /nfs/dbraw/zinc/73/10/85/1019731085.db2.gz CRMXESZEVPCLCA-VIFPVBQESA-N -1 0 308.294 -0.919 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)NCc1nnc2n1CCOC2 ZINC001610761393 1019731461 /nfs/dbraw/zinc/73/14/61/1019731461.db2.gz XYKAJIWAPVJARF-SECBINFHSA-N -1 0 309.326 -0.043 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)CC[C@@H]2NC(=O)NC2=O)CCCOC1 ZINC001610755652 1019731589 /nfs/dbraw/zinc/73/15/89/1019731589.db2.gz FZTBUQZFHDEFDK-ISVAXAHUSA-N -1 0 313.310 -0.885 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCc2ncncc2C1 ZINC001610759817 1019732062 /nfs/dbraw/zinc/73/20/62/1019732062.db2.gz KGFJXMFSYFBJGU-JOYOIKCWSA-N -1 0 318.333 -0.617 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCCc2ccncc2)CCO1 ZINC001610762804 1019732153 /nfs/dbraw/zinc/73/21/53/1019732153.db2.gz JEBAKXLMQBMTIN-GFCCVEGCSA-N -1 0 321.333 -0.558 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1CC1(O)CCS(=O)(=O)CC1 ZINC001610765031 1019733112 /nfs/dbraw/zinc/73/31/12/1019733112.db2.gz CXJURGUJRBEKNW-JTQLQIEISA-N -1 0 323.436 -0.182 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1CCN(C(=O)CO)CC1 ZINC001610768298 1019733163 /nfs/dbraw/zinc/73/31/63/1019733163.db2.gz WHOADAFJOIAMIM-UHFFFAOYSA-N -1 0 322.383 -0.902 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)C1CCS(=O)(=O)CC1 ZINC001610764498 1019733245 /nfs/dbraw/zinc/73/32/45/1019733245.db2.gz PDMWKBLCHPFXCH-JTQLQIEISA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC001610774492 1019733779 /nfs/dbraw/zinc/73/37/79/1019733779.db2.gz XLTDIXMFSBVHKK-GFCCVEGCSA-N -1 0 323.349 -0.049 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCOC2)CCO1 ZINC001610763395 1019735011 /nfs/dbraw/zinc/73/50/11/1019735011.db2.gz QLRNEXWWBYRVOZ-GHMZBOCLSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])CCCc1nnc(NC(=O)N[C@@H]2CNC(=O)C2)s1 ZINC001610772198 1019735027 /nfs/dbraw/zinc/73/50/27/1019735027.db2.gz NNYUTBGGAKDWEV-LURJTMIESA-N -1 0 313.339 -0.045 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cnn(CC(F)(F)F)c1 ZINC001610784142 1019736207 /nfs/dbraw/zinc/73/62/07/1019736207.db2.gz XRBWSDIQBHTQQR-UHFFFAOYSA-N -1 0 309.200 -0.197 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)CN2CCOCC2)cc1 ZINC001610783341 1019736643 /nfs/dbraw/zinc/73/66/43/1019736643.db2.gz OKPAVNPTCWYYPH-UHFFFAOYSA-N -1 0 321.333 -0.228 20 0 DBADRM CC1(NC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CCCC1 ZINC001575820035 1019739105 /nfs/dbraw/zinc/73/91/05/1019739105.db2.gz ZRFBSCJHTSZOAW-UHFFFAOYSA-N -1 0 319.325 -0.422 20 0 DBADRM O=C([O-])Cn1cc(CCN2CCO[C@@]3(CCCOC3)C2)nn1 ZINC001610799708 1019738836 /nfs/dbraw/zinc/73/88/36/1019738836.db2.gz ALNULEAGLFYXTH-AWEZNQCLSA-N -1 0 310.354 -0.213 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)NC[C@@H]3CCS(=O)(=O)C3)C[C@@H]21 ZINC001610803409 1019739969 /nfs/dbraw/zinc/73/99/69/1019739969.db2.gz OKPXLRVLHAWTBV-AXTSPUMRSA-N -1 0 302.352 -0.607 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H](CCO)C2CC2)cn1 ZINC001610801404 1019740000 /nfs/dbraw/zinc/74/00/00/1019740000.db2.gz OKLJSTUDKHYGQG-JTQLQIEISA-N -1 0 303.340 -0.593 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)CN2CCNCC2=O)cc1F ZINC001610792070 1019740081 /nfs/dbraw/zinc/74/00/81/1019740081.db2.gz DDUYRZOVWXIQKG-UHFFFAOYSA-N -1 0 309.297 -0.177 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)cn1 ZINC001610801005 1019740645 /nfs/dbraw/zinc/74/06/45/1019740645.db2.gz BNFTYTJSZJNNHH-AOOOYVTPSA-N -1 0 317.367 -0.203 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC(F)(F)C[C@H]2CO)nn1 ZINC001610858770 1019741278 /nfs/dbraw/zinc/74/12/78/1019741278.db2.gz AYVXUJLZNMSOAJ-ZETCQYMHSA-N -1 0 319.268 -0.612 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CCN2C(=O)N=NC2C1 ZINC001610853502 1019742432 /nfs/dbraw/zinc/74/24/32/1019742432.db2.gz JFIWVOYUNOHJFB-UHFFFAOYSA-N -1 0 324.318 -0.114 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)CC3OCCO3)C2)nn1 ZINC001610856827 1019743321 /nfs/dbraw/zinc/74/33/21/1019743321.db2.gz VJHLMRIYDBPUFA-SECBINFHSA-N -1 0 310.310 -0.097 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)CN3CCCC3=O)CC2)nn1 ZINC001610856343 1019743554 /nfs/dbraw/zinc/74/35/54/1019743554.db2.gz CRNXFZSWQKOACC-UHFFFAOYSA-N -1 0 321.337 -0.238 20 0 DBADRM O=C([O-])C1CCN(C(=O)COC(=O)[C@H]2CCC(=O)NC2)CC1 ZINC001610882639 1019744023 /nfs/dbraw/zinc/74/40/23/1019744023.db2.gz AFCAGMGTNTUDBZ-JTQLQIEISA-N -1 0 312.322 -0.621 20 0 DBADRM O=C([O-])c1coc(C(=O)CN2C(=O)N[C@]3(CCOC3)C2=O)c1 ZINC001610866060 1019744157 /nfs/dbraw/zinc/74/41/57/1019744157.db2.gz CRKQSFKJEWAHCB-ZDUSSCGKSA-N -1 0 308.246 -0.129 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1CC[C@](F)(CO)C1 ZINC001610872791 1019745345 /nfs/dbraw/zinc/74/53/45/1019745345.db2.gz JVTVFJRDEBMSEN-SECBINFHSA-N -1 0 310.328 -0.064 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)c1 ZINC001610865488 1019747287 /nfs/dbraw/zinc/74/72/87/1019747287.db2.gz GWJZWHITCBDSIR-UHFFFAOYSA-N -1 0 311.319 -0.267 20 0 DBADRM O=C([O-])c1cn(CC(=O)N(CCCO)Cc2ccccn2)nn1 ZINC001610860175 1019748187 /nfs/dbraw/zinc/74/81/87/1019748187.db2.gz CIUVMFSRRZRBRC-UHFFFAOYSA-N -1 0 319.321 -0.218 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)C1CC1 ZINC001610887262 1019748992 /nfs/dbraw/zinc/74/89/92/1019748992.db2.gz QUWRXDXAPCFWSX-ZDUSSCGKSA-N -1 0 318.333 -0.389 20 0 DBADRM CN(C)C(=O)O[C@H]1CCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001610892249 1019749428 /nfs/dbraw/zinc/74/94/28/1019749428.db2.gz DEJOMESXQPUFPG-VIFPVBQESA-N -1 0 308.356 -0.742 20 0 DBADRM CN(CCCCCO)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001610935068 1019750197 /nfs/dbraw/zinc/75/01/97/1019750197.db2.gz UCWFAWLJABWPTR-AWEZNQCLSA-N -1 0 300.355 -0.069 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001610887226 1019750493 /nfs/dbraw/zinc/75/04/93/1019750493.db2.gz NSYCMFXKRBMRHG-ONGXEEELSA-N -1 0 321.289 -0.537 20 0 DBADRM O=C([O-])c1cccc(COC(=O)CC[C@H]2NC(=O)NC2=O)n1 ZINC001610887788 1019750603 /nfs/dbraw/zinc/75/06/03/1019750603.db2.gz ZHEQOQGADOFVKT-MRVPVSSYSA-N -1 0 307.262 -0.189 20 0 DBADRM CN1C(=O)COc2cc(NC(=O)NC[C@@](C)(O)C(=O)[O-])ccc21 ZINC001610944779 1019751758 /nfs/dbraw/zinc/75/17/58/1019751758.db2.gz JNVODYJACNNKPE-CQSZACIVSA-N -1 0 323.305 -0.001 20 0 DBADRM CCCN1CC(CCO)(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001506130369 1019752114 /nfs/dbraw/zinc/75/21/14/1019752114.db2.gz ZZQZFNRHPOGJFD-UHFFFAOYSA-N -1 0 319.365 -0.401 20 0 DBADRM COC(=O)C1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC001610968622 1019752109 /nfs/dbraw/zinc/75/21/09/1019752109.db2.gz HFEMESCCCJLXHV-JTQLQIEISA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)[C@H]1CC12CCN(CCS(=O)(=O)CC(=O)[O-])CC2 ZINC001610964683 1019753427 /nfs/dbraw/zinc/75/34/27/1019753427.db2.gz FEARFVZVGRLPMM-SNVBAGLBSA-N -1 0 319.379 -0.239 20 0 DBADRM COCCn1cc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC001611015715 1019754944 /nfs/dbraw/zinc/75/49/44/1019754944.db2.gz MIQNLVGYDWKVTF-LLVKDONJSA-N -1 0 312.326 -0.476 20 0 DBADRM CO[C@@H]1CC[C@H]2OCCN(CCS(=O)(=O)CC(=O)[O-])[C@@H]2C1 ZINC001610991527 1019754965 /nfs/dbraw/zinc/75/49/65/1019754965.db2.gz TUORHJKKPXHQIM-IJLUTSLNSA-N -1 0 321.395 -0.246 20 0 DBADRM COc1cc(N)c(C(=O)OCC(=O)[O-])cc1S(C)(=O)=O ZINC001611033514 1019755004 /nfs/dbraw/zinc/75/50/04/1019755004.db2.gz OHFDRLNNHYFJRN-UHFFFAOYSA-N -1 0 303.292 -0.078 20 0 DBADRM CO[C@@H]1CCCC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001610991481 1019755070 /nfs/dbraw/zinc/75/50/70/1019755070.db2.gz QRTQRNZICNMCRA-HBNTYKKESA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cnn(C)c1C(F)(F)F)C(=O)[O-] ZINC001611093217 1019755146 /nfs/dbraw/zinc/75/51/46/1019755146.db2.gz GOHWIUDYKDKLSA-SCSAIBSYSA-N -1 0 308.216 -0.033 20 0 DBADRM COCC1=CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC001611000473 1019756078 /nfs/dbraw/zinc/75/60/78/1019756078.db2.gz QAHJKRYPGKODCP-LLVKDONJSA-N -1 0 312.322 -0.897 20 0 DBADRM COc1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1OCCO ZINC001611040723 1019756455 /nfs/dbraw/zinc/75/64/55/1019756455.db2.gz FDSYRFCGYRVKBH-CQSZACIVSA-N -1 0 313.306 -0.368 20 0 DBADRM CO[C@@H]1CCCC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001610991479 1019756900 /nfs/dbraw/zinc/75/69/00/1019756900.db2.gz QRTQRNZICNMCRA-GARJFASQSA-N -1 0 319.379 -0.098 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c(C2CC2)n1 ZINC001611277432 1019760440 /nfs/dbraw/zinc/76/04/40/1019760440.db2.gz CGVJKLBGIJRUNV-CYBMUJFWSA-N -1 0 310.310 -0.812 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)C(=O)NCCn2cncn2)c1 ZINC001611338445 1019760746 /nfs/dbraw/zinc/76/07/46/1019760746.db2.gz AVTXMGWRQDSMJC-UHFFFAOYSA-N -1 0 317.305 -0.591 20 0 DBADRM O=C(CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-])NCC1CCC1 ZINC001611322628 1019761463 /nfs/dbraw/zinc/76/14/63/1019761463.db2.gz MUGZEOFFVBMENB-SNVBAGLBSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc1 ZINC001611338529 1019762495 /nfs/dbraw/zinc/76/24/95/1019762495.db2.gz MTDFHAMTUQUQIE-GDNZZTSVSA-N -1 0 304.302 -0.238 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCS(=O)(=O)CC(=O)[O-] ZINC001611304977 1019762560 /nfs/dbraw/zinc/76/25/60/1019762560.db2.gz ZHUCFQQUFPLDEM-YWVKMMECSA-N -1 0 304.368 -0.928 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N(C[C@H]2CCOC2)C2CC2)C1 ZINC001611369652 1019763019 /nfs/dbraw/zinc/76/30/19/1019763019.db2.gz HCURLLAGFWHRNV-MNOVXSKESA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@@](O)(C(F)F)C2)CC1 ZINC001611369719 1019763612 /nfs/dbraw/zinc/76/36/12/1019763612.db2.gz WLBHCMYKHOOSSA-ZDUSSCGKSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(Cl)c[nH]1 ZINC001611401473 1019763917 /nfs/dbraw/zinc/76/39/17/1019763917.db2.gz FUFFWLDTMXYARX-MRVPVSSYSA-N -1 0 306.727 -0.008 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCC[C@]23CCOC3=O)CC1 ZINC001611369699 1019763955 /nfs/dbraw/zinc/76/39/55/1019763955.db2.gz SJEVZZYJSKUPCJ-OAHLLOKOSA-N -1 0 324.333 -0.382 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001611401547 1019764762 /nfs/dbraw/zinc/76/47/62/1019764762.db2.gz IKIKMTLYZCNFOS-JTQLQIEISA-N -1 0 319.321 -0.396 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCN(CC(F)F)CC1 ZINC001611488587 1019765416 /nfs/dbraw/zinc/76/54/16/1019765416.db2.gz QLISHXOHOXZMML-UHFFFAOYSA-N -1 0 300.327 -0.632 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CN(c2ccccc2)C1=O ZINC001611489078 1019766097 /nfs/dbraw/zinc/76/60/97/1019766097.db2.gz CEXHXXBFIXGEPH-VIFPVBQESA-N -1 0 303.278 -0.779 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCC(Oc2cnccn2)CC1 ZINC001611443513 1019766137 /nfs/dbraw/zinc/76/61/37/1019766137.db2.gz TZMWNIMFRHZOGW-UHFFFAOYSA-N -1 0 322.321 -0.563 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1C[C@H](O)C[C@H]1CO ZINC001611508882 1019766349 /nfs/dbraw/zinc/76/63/49/1019766349.db2.gz WHHJJXQHPMCCAT-WDEREUQCSA-N -1 0 322.317 -0.794 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1C(=O)C[C@]2(CCSC2)C1=O ZINC001611488533 1019767146 /nfs/dbraw/zinc/76/71/46/1019767146.db2.gz MHPIIFATKSAMMA-NSHDSACASA-N -1 0 321.376 -0.632 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCOC[C@@H]1[C@H]1CCCC1=O ZINC001611488723 1019767433 /nfs/dbraw/zinc/76/74/33/1019767433.db2.gz UOQGKALGGLNFBL-GHMZBOCLSA-N -1 0 319.379 -0.444 20 0 DBADRM O=C([O-])CNC(=O)C[S@](=O)Cc1ncnn1-c1ccccc1 ZINC001611475250 1019767606 /nfs/dbraw/zinc/76/76/06/1019767606.db2.gz HLRROVAGLAAVJU-JOCHJYFZSA-N -1 0 322.346 -0.283 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCNC(=O)CC2)c(F)c1 ZINC001611572431 1019768906 /nfs/dbraw/zinc/76/89/06/1019768906.db2.gz YGDBOKOSNUMCMQ-UHFFFAOYSA-N -1 0 323.280 -0.189 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001611572447 1019769800 /nfs/dbraw/zinc/76/98/00/1019769800.db2.gz ZWXQNUYJRUSWIU-GFCCVEGCSA-N -1 0 318.333 -0.293 20 0 DBADRM CCOC(=O)[C@@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)C(C)C ZINC001616142422 1019778651 /nfs/dbraw/zinc/77/86/51/1019778651.db2.gz NMGUNGKFBYMGTF-NXEZZACHSA-N -1 0 311.342 -0.065 20 0 DBADRM CC1CC(NC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001575994581 1019785796 /nfs/dbraw/zinc/78/57/96/1019785796.db2.gz YCMBSHJDWRHBQN-UHFFFAOYSA-N -1 0 305.298 -0.956 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2ccc(-c3c[nH]nn3)cn2)C(=O)N1C ZINC001576011050 1019789049 /nfs/dbraw/zinc/78/90/49/1019789049.db2.gz IDJIIFZDGPWCSO-ZETCQYMHSA-N -1 0 315.293 -0.206 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1Cc2cc(F)ccc2NC1=O ZINC001618295058 1019791645 /nfs/dbraw/zinc/79/16/45/1019791645.db2.gz KHCFOWNQCHCMKY-VIFPVBQESA-N -1 0 320.280 -0.028 20 0 DBADRM O=C(NCc1c[nH]cn1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001618133038 1019792686 /nfs/dbraw/zinc/79/26/86/1019792686.db2.gz FIJMYYLHEJMMDQ-UHFFFAOYSA-N -1 0 300.278 -0.081 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC001618154227 1019792946 /nfs/dbraw/zinc/79/29/46/1019792946.db2.gz WBANAXIIAWJTTE-MRVPVSSYSA-N -1 0 305.290 -0.535 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=S)c1C(=O)NCC(=O)Nc1ccn(C)n1 ZINC001618439305 1019795818 /nfs/dbraw/zinc/79/58/18/1019795818.db2.gz KYADLEFXNMQNLD-UHFFFAOYSA-N -1 0 322.350 -0.119 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)CCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001576075504 1019805310 /nfs/dbraw/zinc/80/53/10/1019805310.db2.gz GMEKJWYCDZJWKQ-NXEZZACHSA-N -1 0 316.369 -0.005 20 0 DBADRM CC[C@H](C)C(=O)NC[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001576582610 1019870641 /nfs/dbraw/zinc/87/06/41/1019870641.db2.gz TVXJOYAUWGJSNE-IUCAKERBSA-N -1 0 320.357 -0.986 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)Cn1cc(-c2nnn[n-]2)nn1)C(=O)OC ZINC001576610492 1019872887 /nfs/dbraw/zinc/87/28/87/1019872887.db2.gz JMNJYIVACCOOAT-XCBNKYQSSA-N -1 0 322.329 -0.838 20 0 DBADRM CC(=O)NCCCN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001576642113 1019875989 /nfs/dbraw/zinc/87/59/89/1019875989.db2.gz XTDQARZNABKFDP-UHFFFAOYSA-N -1 0 306.326 -0.944 20 0 DBADRM CC(=O)NC[C@@]1(C)CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001506688294 1019888460 /nfs/dbraw/zinc/88/84/60/1019888460.db2.gz JQVAGSOZXVQJTA-CYBMUJFWSA-N -1 0 311.342 -0.546 20 0 DBADRM CCC(=O)NCC(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001506734920 1019894964 /nfs/dbraw/zinc/89/49/64/1019894964.db2.gz HZSSHYAMPNMUQK-VIFPVBQESA-N -1 0 324.385 -0.637 20 0 DBADRM CC[C@H](F)C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576968993 1019969203 /nfs/dbraw/zinc/96/92/03/1019969203.db2.gz JHINRXUITGXPAG-CIUDSAMLSA-N -1 0 320.332 -0.114 20 0 DBADRM CC[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)[C@@H](O)C(C)C ZINC001576976726 1019971490 /nfs/dbraw/zinc/97/14/90/1019971490.db2.gz XQLSSIYOPBGHRH-GUBZILKMSA-N -1 0 322.373 -0.069 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NOCc2cn[nH]n2)cn1 ZINC001577111479 1020007783 /nfs/dbraw/zinc/00/77/83/1020007783.db2.gz HSZMRUBACHYNOI-UHFFFAOYSA-N -1 0 312.311 -0.567 20 0 DBADRM CCCC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001577184896 1020023971 /nfs/dbraw/zinc/02/39/71/1020023971.db2.gz OXTLGNPBJLGYBO-VIFPVBQESA-N -1 0 320.357 -0.890 20 0 DBADRM CCC[C@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC001577713746 1020107006 /nfs/dbraw/zinc/10/70/06/1020107006.db2.gz QBLVPARUXQGHHE-SFYZADRCSA-N -1 0 322.329 -0.523 20 0 DBADRM CCC[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC001577713747 1020108272 /nfs/dbraw/zinc/10/82/72/1020108272.db2.gz QBLVPARUXQGHHE-YUMQZZPRSA-N -1 0 322.329 -0.523 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C1=CCCCCC1 ZINC001507196417 1020169240 /nfs/dbraw/zinc/16/92/40/1020169240.db2.gz WFXLQCWWABEJRH-NSHDSACASA-N -1 0 309.370 -0.033 20 0 DBADRM CC/C(C)=C\C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001578033061 1020176407 /nfs/dbraw/zinc/17/64/07/1020176407.db2.gz SXMSTKBIKHVXTQ-MBACFSSFSA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@H](C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C(F)(F)F ZINC001507222364 1020203138 /nfs/dbraw/zinc/20/31/38/1020203138.db2.gz OVDVHAUZOITKHH-PHDIDXHHSA-N -1 0 311.264 -0.725 20 0 DBADRM CCO[C@@H](C(=O)Nc1c[nH]nc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC001578274888 1020206355 /nfs/dbraw/zinc/20/63/55/1020206355.db2.gz WIEGTMGHWIMTEZ-GMSGAONNSA-N -1 0 307.314 -0.030 20 0 DBADRM CCOC(=O)CN(C)C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001578245477 1020208072 /nfs/dbraw/zinc/20/80/72/1020208072.db2.gz SHNFWWXDPWVBBI-UHFFFAOYSA-N -1 0 320.309 -0.089 20 0 DBADRM CCOCC(=O)NC[C@H](CC)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001578359128 1020221237 /nfs/dbraw/zinc/22/12/37/1020221237.db2.gz YIHQULWURQCSKP-VIFPVBQESA-N -1 0 320.357 -0.578 20 0 DBADRM CCO[C@H]1C[C@@H](NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001578383484 1020226870 /nfs/dbraw/zinc/22/68/70/1020226870.db2.gz UJYMKUUUJWXAQY-DTORHVGOSA-N -1 0 321.345 -0.675 20 0 DBADRM CCOc1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)on1 ZINC001578390219 1020227801 /nfs/dbraw/zinc/22/78/01/1020227801.db2.gz HUZSPCNAHIFBRN-UHFFFAOYSA-N -1 0 319.285 -0.725 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)c2cccc(-c3nn[nH]n3)n2)C1 ZINC001578408163 1020231638 /nfs/dbraw/zinc/23/16/38/1020231638.db2.gz KWXYEPMRFPBOJE-UHFFFAOYSA-N -1 0 322.350 -0.479 20 0 DBADRM CCc1cc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[nH]n1 ZINC001578515002 1020249820 /nfs/dbraw/zinc/24/98/20/1020249820.db2.gz MFERCIZNLGNFEN-UHFFFAOYSA-N -1 0 317.313 -0.436 20 0 DBADRM CCn1cc(Cl)c(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC001578759856 1020289729 /nfs/dbraw/zinc/28/97/29/1020289729.db2.gz ZSPSEMZSCXYMIX-UHFFFAOYSA-N -1 0 322.720 -0.033 20 0 DBADRM CN(C[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1)C(=O)C1CC1 ZINC001579048731 1020360450 /nfs/dbraw/zinc/36/04/50/1020360450.db2.gz KNMRGXLVKPJGFS-SECBINFHSA-N -1 0 318.341 -0.702 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)c1ccoc1 ZINC001579215649 1020395435 /nfs/dbraw/zinc/39/54/35/1020395435.db2.gz XWQWSVJDIANVJC-UHFFFAOYSA-N -1 0 314.309 -0.144 20 0 DBADRM CN(Cc1cn[nH]c1)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001579261251 1020400601 /nfs/dbraw/zinc/40/06/01/1020400601.db2.gz RSKQYMOAGLQIER-UHFFFAOYSA-N -1 0 320.338 -0.195 20 0 DBADRM CN(Cc1ccoc1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001579261609 1020402019 /nfs/dbraw/zinc/40/20/19/1020402019.db2.gz XRYPSJOWQFLIOK-UHFFFAOYSA-N -1 0 317.309 -0.507 20 0 DBADRM COC(=O)C(C)(C)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579432290 1020451162 /nfs/dbraw/zinc/45/11/62/1020451162.db2.gz PRBFHUDHHYQEAT-UHFFFAOYSA-N -1 0 320.309 -0.043 20 0 DBADRM CNc1ccccc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001579431710 1020451832 /nfs/dbraw/zinc/45/18/32/1020451832.db2.gz WUFSBAFZYKYJJG-UHFFFAOYSA-N -1 0 313.325 -0.070 20 0 DBADRM CNc1ccc(-c2nn[nH]n2)cc1NC(=O)CCc1nnn[n-]1 ZINC001579429501 1020452079 /nfs/dbraw/zinc/45/20/79/1020452079.db2.gz BVTHWZJGULIAPY-UHFFFAOYSA-N -1 0 314.313 -0.007 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579444202 1020461263 /nfs/dbraw/zinc/46/12/63/1020461263.db2.gz YWKRWAKOKYEGOL-QMMMGPOBSA-N -1 0 318.293 -0.337 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)[C@@H](C)O ZINC001579465581 1020463874 /nfs/dbraw/zinc/46/38/74/1020463874.db2.gz HDADTZNOHFGEAR-LDWIPMOCSA-N -1 0 321.293 -0.776 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2cn(C)cn2)c1 ZINC001579477154 1020471310 /nfs/dbraw/zinc/47/13/10/1020471310.db2.gz BKAPOQGBSDRIGR-UHFFFAOYSA-N -1 0 315.293 -0.403 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)C1CC2(CC2)C1 ZINC001507697251 1020475026 /nfs/dbraw/zinc/47/50/26/1020475026.db2.gz PYDVZFBHZBEPPJ-LLVKDONJSA-N -1 0 323.397 -0.048 20 0 DBADRM COC(=O)c1cnc(Cn2cncc(-c3nnn[n-]3)c2=O)cn1 ZINC001579489330 1020475635 /nfs/dbraw/zinc/47/56/35/1020475635.db2.gz ZASZQSVZDDOMLM-UHFFFAOYSA-N -1 0 314.265 -0.952 20 0 DBADRM COC(=O)c1cncc(Cn2cnc(-c3nnn[n-]3)cc2=O)c1 ZINC001579492058 1020476144 /nfs/dbraw/zinc/47/61/44/1020476144.db2.gz VZESVSBEEZFATM-UHFFFAOYSA-N -1 0 313.277 -0.347 20 0 DBADRM COC(=O)c1ccn(CC(=O)Nc2c[nH]nc2-c2nnn[n-]2)n1 ZINC001579488774 1020476290 /nfs/dbraw/zinc/47/62/90/1020476290.db2.gz QDFOJHZLVMSSCF-UHFFFAOYSA-N -1 0 317.269 -0.788 20 0 DBADRM COC(=O)c1nccc(NC(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001579492338 1020476721 /nfs/dbraw/zinc/47/67/21/1020476721.db2.gz ZUWITGHQAXKFAT-UHFFFAOYSA-N -1 0 315.249 -0.290 20 0 DBADRM CO[C@H](C)C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001579533260 1020481369 /nfs/dbraw/zinc/48/13/69/1020481369.db2.gz HPSLXOUSXQZFEA-RKDXNWHRSA-N -1 0 320.357 -0.050 20 0 DBADRM CO[C@@H](C)C(=O)N1CC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579532980 1020482257 /nfs/dbraw/zinc/48/22/57/1020482257.db2.gz OQLAYIDWYRWGML-ZETCQYMHSA-N -1 0 319.325 -0.830 20 0 DBADRM CO[C@@H](C)C(=O)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579536727 1020484721 /nfs/dbraw/zinc/48/47/21/1020484721.db2.gz SPIGNYMGUQSZJP-IUCAKERBSA-N -1 0 318.341 -0.874 20 0 DBADRM CO[C@H](C)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001579539865 1020486013 /nfs/dbraw/zinc/48/60/13/1020486013.db2.gz MQORVVYHGGUXIU-SNVBAGLBSA-N -1 0 317.353 -0.055 20 0 DBADRM CC(=O)NCC(=O)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(C)C ZINC001507745798 1020494884 /nfs/dbraw/zinc/49/48/84/1020494884.db2.gz XCKKMVFFFJIIAA-UHFFFAOYSA-N -1 0 312.374 -0.685 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001579562372 1020496377 /nfs/dbraw/zinc/49/63/77/1020496377.db2.gz RCGOUGQXTNBTLJ-IUCAKERBSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001579562370 1020498135 /nfs/dbraw/zinc/49/81/35/1020498135.db2.gz RCGOUGQXTNBTLJ-BDAKNGLRSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001579617813 1020506996 /nfs/dbraw/zinc/50/69/96/1020506996.db2.gz HSCLKNSOZZGBSH-KXUCPTDWSA-N -1 0 320.357 -0.097 20 0 DBADRM COCC(=O)N1CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579627997 1020509280 /nfs/dbraw/zinc/50/92/80/1020509280.db2.gz PYNKHLITVCYYAM-SECBINFHSA-N -1 0 318.341 -0.872 20 0 DBADRM COCC(=O)N1CCC[C@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001579627443 1020511245 /nfs/dbraw/zinc/51/12/45/1020511245.db2.gz KIPKJTYUEONOBQ-VIFPVBQESA-N -1 0 318.341 -0.872 20 0 DBADRM COCC(=O)N[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579636939 1020523972 /nfs/dbraw/zinc/52/39/72/1020523972.db2.gz YGIXLZHBVJDKJG-VIFPVBQESA-N -1 0 318.341 -0.612 20 0 DBADRM COCC(=O)NC[C@H](Nc1ccnc(-c2nnn[n-]2)n1)C(C)C ZINC001579637350 1020524307 /nfs/dbraw/zinc/52/43/07/1020524307.db2.gz NYXIFERHUFLRQY-VIFPVBQESA-N -1 0 320.357 -0.722 20 0 DBADRM COCCC(=O)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579756259 1020545201 /nfs/dbraw/zinc/54/52/01/1020545201.db2.gz WFOVDCHBGIKRQQ-VIFPVBQESA-N -1 0 318.341 -0.872 20 0 DBADRM COCCC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001579763524 1020548929 /nfs/dbraw/zinc/54/89/29/1020548929.db2.gz AMMDVEYEAGEVMQ-SECBINFHSA-N -1 0 320.357 -0.366 20 0 DBADRM COCCC(=O)N[C@@H](C)CN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001579761577 1020549477 /nfs/dbraw/zinc/54/94/77/1020549477.db2.gz UWOLKVGUJJBNOS-VIFPVBQESA-N -1 0 320.357 -0.366 20 0 DBADRM COCCC(=O)NC[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001579764493 1020550448 /nfs/dbraw/zinc/55/04/48/1020550448.db2.gz KZMGKPLBGUGVIS-SECBINFHSA-N -1 0 320.357 -0.721 20 0 DBADRM COCC[C@H](CO)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579776147 1020552133 /nfs/dbraw/zinc/55/21/33/1020552133.db2.gz IXKBQMQTYIALEJ-MRVPVSSYSA-N -1 0 322.325 -0.597 20 0 DBADRM COCn1ccc(C(=O)NCc2cncc(-c3nn[nH]n3)c2)n1 ZINC001579847573 1020570344 /nfs/dbraw/zinc/57/03/44/1020570344.db2.gz HDPOKORAFRZHMN-UHFFFAOYSA-N -1 0 314.309 -0.008 20 0 DBADRM CO[C@@H]1CN(C(=O)c2ncc(-c3nn[nH]n3)cc2Cl)C[C@H]1O ZINC001579853907 1020573840 /nfs/dbraw/zinc/57/38/40/1020573840.db2.gz QMIFVLDMJGRQCI-RKDXNWHRSA-N -1 0 324.728 -0.253 20 0 DBADRM COc1cc(C(=O)N(C)c2nnn[n-]2)ccc1-c1nn[nH]n1 ZINC001579890748 1020585597 /nfs/dbraw/zinc/58/55/97/1020585597.db2.gz SRMRMGWJYOQWNC-UHFFFAOYSA-N -1 0 301.270 -0.335 20 0 DBADRM COc1ccccc1CNC(=O)Cn1cc(-c2nnn[n-]2)nn1 ZINC001580083039 1020643609 /nfs/dbraw/zinc/64/36/09/1020643609.db2.gz GKKQGPHYPYNVKB-UHFFFAOYSA-N -1 0 314.309 -0.217 20 0 DBADRM CC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001508714788 1020652716 /nfs/dbraw/zinc/65/27/16/1020652716.db2.gz SBKAIQSSIUTODF-ZETCQYMHSA-N -1 0 311.342 -0.863 20 0 DBADRM CS[C@H](C)C(=O)NC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001580187916 1020665492 /nfs/dbraw/zinc/66/54/92/1020665492.db2.gz NNALNZOTKQRXEK-JGVFFNPUSA-N -1 0 322.398 -0.253 20 0 DBADRM CS[C@H]1CCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001580204602 1020667909 /nfs/dbraw/zinc/66/79/09/1020667909.db2.gz KORYQGIPTCLDHN-QMMMGPOBSA-N -1 0 323.386 -0.395 20 0 DBADRM C[C@@H](CNCc1cnon1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001580281402 1020679997 /nfs/dbraw/zinc/67/99/97/1020679997.db2.gz ZFDRDVPZIGZLSN-ZETCQYMHSA-N -1 0 317.313 -0.514 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCOC1 ZINC001580290446 1020683793 /nfs/dbraw/zinc/68/37/93/1020683793.db2.gz KXTBTOHUPDCHRR-DTWKUNHWSA-N -1 0 318.341 -0.968 20 0 DBADRM NOCCCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001580359064 1020699696 /nfs/dbraw/zinc/69/96/96/1020699696.db2.gz FXZVXBIXMKAPFK-UHFFFAOYSA-N -1 0 323.321 -0.360 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1cc[nH]c1 ZINC001580417205 1020712525 /nfs/dbraw/zinc/71/25/25/1020712525.db2.gz WXVIPVDENVBYKT-MRVPVSSYSA-N -1 0 313.325 -0.363 20 0 DBADRM C[C@H]1COCCN1Cc1cc(=O)n2[n-]cc(-c3nn[nH]n3)c2n1 ZINC001580446770 1020718234 /nfs/dbraw/zinc/71/82/34/1020718234.db2.gz LDFDQCMZSROHHL-QMMMGPOBSA-N -1 0 316.325 -0.164 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC/C=C/CNc1ccnc(-c2nnn[n-]2)n1 ZINC001580454512 1020721021 /nfs/dbraw/zinc/72/10/21/1020721021.db2.gz AKZVCFCQHSYDAM-AQHVTNBVSA-N -1 0 314.353 -0.181 20 0 DBADRM Cc1c[nH]c(=O)c(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC001580561620 1020752496 /nfs/dbraw/zinc/75/24/96/1020752496.db2.gz HRPHWGPDKUURGP-UHFFFAOYSA-N -1 0 315.297 -0.816 20 0 DBADRM Cc1cc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)ncc1C(N)=O ZINC001580886772 1020811797 /nfs/dbraw/zinc/81/17/97/1020811797.db2.gz BPSMOWOQLKNYLX-UHFFFAOYSA-N -1 0 313.281 -0.356 20 0 DBADRM Cc1cc(C(=O)[N-]n2ccc(=O)[nH]c2=O)ncc1-c1nn[nH]n1 ZINC001580887342 1020811820 /nfs/dbraw/zinc/81/18/20/1020811820.db2.gz MYJOETGUDLSSQS-UHFFFAOYSA-N -1 0 314.265 -0.784 20 0 DBADRM Cc1cc(F)c(-c2nn[nH]n2)cc1NC(=O)Cn1nnc(N)n1 ZINC001580931359 1020813960 /nfs/dbraw/zinc/81/39/60/1020813960.db2.gz BVHZHKHSPOXYBB-UHFFFAOYSA-N -1 0 318.276 -0.478 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)/C=C/C1CC1 ZINC001580934558 1020814099 /nfs/dbraw/zinc/81/40/99/1020814099.db2.gz MUAZYQULRJEHHG-SNAWJCMRSA-N -1 0 309.326 -0.770 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)c(N2CC[C@@H](CS(N)(=O)=O)C2)n1 ZINC001581069985 1020823440 /nfs/dbraw/zinc/82/34/40/1020823440.db2.gz LXUIRRJLBDBBEX-SECBINFHSA-N -1 0 323.382 -0.315 20 0 DBADRM Cc1ccc(CNC(=O)CCc2nnn[n-]2)cc1-c1nn[nH]n1 ZINC001581196900 1020828306 /nfs/dbraw/zinc/82/83/06/1020828306.db2.gz QZBWQHRFPBTJTF-UHFFFAOYSA-N -1 0 313.325 -0.063 20 0 DBADRM Cc1ccoc1CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001581306457 1020831212 /nfs/dbraw/zinc/83/12/12/1020831212.db2.gz UIOIETLOCVSIHJ-UHFFFAOYSA-N -1 0 317.309 -0.222 20 0 DBADRM Cc1[nH]nc(NC(=O)[C@H](NC(N)=O)C(C)(C)C)c1-c1nn[nH]n1 ZINC001581401205 1020833096 /nfs/dbraw/zinc/83/30/96/1020833096.db2.gz CVDPSIAVVRVCHU-ZETCQYMHSA-N -1 0 321.345 -0.080 20 0 DBADRM Cc1csc(NC(=O)N2CC(O)(C(N)=O)C2)c1-c1nn[nH]n1 ZINC001581387607 1020833443 /nfs/dbraw/zinc/83/34/43/1020833443.db2.gz VKDQQDPQMVUXGJ-UHFFFAOYSA-N -1 0 323.338 -0.699 20 0 DBADRM Cc1[nH]nc(NC(=O)CCn2cnccc2=O)c1-c1nn[nH]n1 ZINC001581402657 1020833527 /nfs/dbraw/zinc/83/35/27/1020833527.db2.gz DEGJVZGRFXLNNS-UHFFFAOYSA-N -1 0 315.297 -0.516 20 0 DBADRM Cc1nc(N[C@H](CO)CNC(=O)C2CC2)ccc1-c1nn[nH]n1 ZINC001581495105 1020836760 /nfs/dbraw/zinc/83/67/60/1020836760.db2.gz ICMXACJVZIPTOD-JTQLQIEISA-N -1 0 317.353 -0.131 20 0 DBADRM Cc1ncc(C(=O)NCc2ccnc(-c3nn[nH]n3)c2)c(N)n1 ZINC001581542755 1020838361 /nfs/dbraw/zinc/83/83/61/1020838361.db2.gz VXZPMALVAPHKQP-UHFFFAOYSA-N -1 0 311.309 -0.128 20 0 DBADRM Cc1nnsc1CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001581622196 1020840662 /nfs/dbraw/zinc/84/06/62/1020840662.db2.gz OFDLQPSRBWXUCN-UHFFFAOYSA-N -1 0 321.326 -0.562 20 0 DBADRM Cc1noc(CCNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001581636738 1020840857 /nfs/dbraw/zinc/84/08/57/1020840857.db2.gz RLHOAONUWNHKDD-LURJTMIESA-N -1 0 318.301 -0.930 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H](CO)C2CCCC2)c(-c2nnn[n-]2)c1=O ZINC001581748393 1020844324 /nfs/dbraw/zinc/84/43/24/1020844324.db2.gz ZXMXZFZVIRDCED-MRVPVSSYSA-N -1 0 321.341 -0.371 20 0 DBADRM Cn1c(=O)[nH]c(NCc2ccns2)c(-c2nnn[n-]2)c1=O ZINC001581747777 1020844619 /nfs/dbraw/zinc/84/46/19/1020844619.db2.gz VANYNFBUXLIMEV-UHFFFAOYSA-N -1 0 306.311 -0.265 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2cc(Cl)ccn2)c1=O ZINC001581753920 1020845575 /nfs/dbraw/zinc/84/55/75/1020845575.db2.gz YNAGNOOIYSRRPF-UHFFFAOYSA-N -1 0 319.712 -0.176 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2cnc(Cl)cn2)c1=O ZINC001581753439 1020846336 /nfs/dbraw/zinc/84/63/36/1020846336.db2.gz DLLIDOCCAKLOPM-UHFFFAOYSA-N -1 0 320.700 -0.781 20 0 DBADRM C[C@@H](CN(C)C(=O)C1CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001510422310 1020847088 /nfs/dbraw/zinc/84/70/88/1020847088.db2.gz GNXGWTJMHSGECX-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM NC(=O)c1ccc(CCn2cnc(-c3nnn[n-]3)cc2=O)cc1 ZINC001581904757 1020858995 /nfs/dbraw/zinc/85/89/95/1020858995.db2.gz WLUHYQKVVUXCQE-UHFFFAOYSA-N -1 0 311.305 -0.235 20 0 DBADRM O=C(C1CC1)N1CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001581923577 1020860711 /nfs/dbraw/zinc/86/07/11/1020860711.db2.gz WLMZNUCCFMZQTG-SNVBAGLBSA-N -1 0 314.353 -0.109 20 0 DBADRM CC(C)(C)C(=O)C(=O)NC1CN(C(=O)c2cnc[nH]c2=O)C1 ZINC001581965679 1020863506 /nfs/dbraw/zinc/86/35/06/1020863506.db2.gz UOCMRJKZVQUNLI-UHFFFAOYSA-N -1 0 306.322 -0.262 20 0 DBADRM O=C(CCn1cnccc1=O)Nc1cc(-c2nn[nH]n2)ccn1 ZINC001582092482 1020876010 /nfs/dbraw/zinc/87/60/10/1020876010.db2.gz XGVTWMXJNWKCBG-UHFFFAOYSA-N -1 0 312.293 -0.153 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001510680937 1020876375 /nfs/dbraw/zinc/87/63/75/1020876375.db2.gz QUEPGZIEHHESOL-TVSKSKRASA-N -1 0 309.326 -0.174 20 0 DBADRM O=C(CNc1ccnc(-c2nnn[n-]2)n1)NCCc1ccccc1 ZINC001582114487 1020877996 /nfs/dbraw/zinc/87/79/96/1020877996.db2.gz WMIOMZYWPHCHAY-UHFFFAOYSA-N -1 0 324.348 -0.151 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)NC[C@H]1CNC(=O)C1 ZINC001582129216 1020878973 /nfs/dbraw/zinc/87/89/73/1020878973.db2.gz YIUSVGKFPSNFKT-SECBINFHSA-N -1 0 316.321 -0.502 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCSC[C@@H]1C1CC1 ZINC001582198006 1020885323 /nfs/dbraw/zinc/88/53/23/1020885323.db2.gz JDAJRYSALJNGBU-SECBINFHSA-N -1 0 320.382 -0.188 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@H]1c1ncon1 ZINC001582197931 1020885530 /nfs/dbraw/zinc/88/55/30/1020885530.db2.gz FTJACZANLHRMHA-ZETCQYMHSA-N -1 0 316.285 -0.795 20 0 DBADRM O=C(Cn1ncnn1)NCc1cc(F)c(-c2nn[nH]n2)c(F)c1 ZINC001582207384 1020886461 /nfs/dbraw/zinc/88/64/61/1020886461.db2.gz MTMHHSGTRPFGOY-UHFFFAOYSA-N -1 0 321.251 -0.552 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1CC12CC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001510806126 1020887505 /nfs/dbraw/zinc/88/75/05/1020887505.db2.gz YAWVGEWLVGUVKV-DTWKUNHWSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CC[C@@]12CCOC2 ZINC001582528294 1020903109 /nfs/dbraw/zinc/90/31/09/1020903109.db2.gz NPKZSEUFTNQSBU-LBPRGKRZSA-N -1 0 319.329 -0.967 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1C[C@H]1c1ccco1 ZINC001582528619 1020904935 /nfs/dbraw/zinc/90/49/35/1020904935.db2.gz FBWSOIXEZZBUPC-RKDXNWHRSA-N -1 0 314.309 -0.029 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001582528546 1020905232 /nfs/dbraw/zinc/90/52/32/1020905232.db2.gz ABHYQKBCAKUEFT-HLTSFMKQSA-N -1 0 304.314 -0.858 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cc(F)c[nH]c1=O ZINC001582528877 1020906442 /nfs/dbraw/zinc/90/64/42/1020906442.db2.gz QTSBFIXKLHSYGX-UHFFFAOYSA-N -1 0 319.260 -0.872 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1cc(F)c(-c2nn[nH]n2)c(F)c1 ZINC001582560258 1020911150 /nfs/dbraw/zinc/91/11/50/1020911150.db2.gz AWTNVSRDVDBNHB-UHFFFAOYSA-N -1 0 323.219 -0.249 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CC[C@H](O)[C@H](CO)C1 ZINC001582699856 1020917367 /nfs/dbraw/zinc/91/73/67/1020917367.db2.gz FIKLRJAUYLSBHY-ONGXEEELSA-N -1 0 319.321 -0.612 20 0 DBADRM O=C(c1ccc(F)c(-c2nn[nH]n2)c1)N1CC[C@H](O)[C@@H](CO)C1 ZINC001582703552 1020920474 /nfs/dbraw/zinc/92/04/74/1020920474.db2.gz GUJFAFCHEDEWML-SKDRFNHKSA-N -1 0 321.312 -0.179 20 0 DBADRM O=C(NCC[C@H]1CNC(=O)C1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001582760435 1020921726 /nfs/dbraw/zinc/92/17/26/1020921726.db2.gz OLWLLNOAPDFIOY-MRVPVSSYSA-N -1 0 316.321 -0.172 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1Cc1nc(C2CCC2)no1 ZINC001582806180 1020925863 /nfs/dbraw/zinc/92/58/63/1020925863.db2.gz GCGKVYSTRONITQ-UHFFFAOYSA-N -1 0 316.281 -0.172 20 0 DBADRM OC[C@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@@H](O)C1CCCCC1 ZINC001582813302 1020927905 /nfs/dbraw/zinc/92/79/05/1020927905.db2.gz ZWZGTVMFYRFZQM-JQWIXIFHSA-N -1 0 319.369 -0.207 20 0 DBADRM CC/C(C)=C/C(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001510921268 1020945916 /nfs/dbraw/zinc/94/59/16/1020945916.db2.gz HGNRFOJVFQTCDP-YVFTVSHDSA-N -1 0 310.354 -0.013 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2cnn(C)c2)c1[O-] ZINC001583041271 1020966666 /nfs/dbraw/zinc/96/66/66/1020966666.db2.gz UJMGJXIEVZGBGS-ONEGZZNKSA-N -1 0 318.337 -0.127 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2ncccn2)c1[O-] ZINC001583220303 1020981223 /nfs/dbraw/zinc/98/12/23/1020981223.db2.gz RAIBKEACIJLEOZ-NSCUHMNNSA-N -1 0 316.321 -0.070 20 0 DBADRM C[C@@H](CNC(=O)C[C@H]1C=CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001584276444 1021016534 /nfs/dbraw/zinc/01/65/34/1021016534.db2.gz NCAQUDKLHQUYGS-UWVGGRQHSA-N -1 0 323.353 -0.334 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001511182759 1021027324 /nfs/dbraw/zinc/02/73/24/1021027324.db2.gz APDPJNYUUTVJDY-QNVIJMGISA-N -1 0 321.337 -0.032 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001511182572 1021027464 /nfs/dbraw/zinc/02/74/64/1021027464.db2.gz VLOJSTADBFQWMH-PSASIEDQSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001511235708 1021032939 /nfs/dbraw/zinc/03/29/39/1021032939.db2.gz PHNQITZZAQZNPI-XCBNKYQSSA-N -1 0 323.353 -0.721 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1C[C@H](C)N(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001511235709 1021033457 /nfs/dbraw/zinc/03/34/57/1021033457.db2.gz PHNQITZZAQZNPI-XVKPBYJWSA-N -1 0 323.353 -0.721 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001585183249 1021049268 /nfs/dbraw/zinc/04/92/68/1021049268.db2.gz IETBYSFIHPIDFN-ZCFIWIBFSA-N -1 0 323.338 -0.494 20 0 DBADRM Cc1nn(CC(=O)N[C@H](c2nnn[n-]2)c2ccccc2)c(=O)o1 ZINC001586105377 1021072466 /nfs/dbraw/zinc/07/24/66/1021072466.db2.gz NENMSPDZWBJDHF-NSHDSACASA-N -1 0 315.293 -0.436 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c1[O-] ZINC001586843939 1021080857 /nfs/dbraw/zinc/08/08/57/1021080857.db2.gz TZZKVFMNDCIPAO-UHLUBPPHSA-N -1 0 307.310 -0.468 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1nnc2ccccn21 ZINC001588187112 1021087457 /nfs/dbraw/zinc/08/74/57/1021087457.db2.gz LJBUTLYETOOVJI-ZETCQYMHSA-N -1 0 303.282 -0.391 20 0 DBADRM C/C(=C/C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)CN1CCOCC1 ZINC001588480604 1021103096 /nfs/dbraw/zinc/10/30/96/1021103096.db2.gz RPLGJKFVEZOVIP-BILDBKGDSA-N -1 0 324.377 -0.176 20 0 DBADRM CC(=O)CCN(C)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001588487603 1021105832 /nfs/dbraw/zinc/10/58/32/1021105832.db2.gz QMIRPDNZCTZBEP-UHFFFAOYSA-N -1 0 305.352 -0.297 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001588494167 1021106508 /nfs/dbraw/zinc/10/65/08/1021106508.db2.gz JIKBWPWDQLJYSP-MNOVXSKESA-N -1 0 312.322 -0.526 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001588498353 1021106764 /nfs/dbraw/zinc/10/67/64/1021106764.db2.gz UFVOLUGEDOUKST-IUCAKERBSA-N -1 0 316.335 -0.864 20 0 DBADRM CC(=O)N1CCN(C(=O)c2cn(CC(=O)[O-])nn2)C(C)(C)C1 ZINC001588496392 1021107109 /nfs/dbraw/zinc/10/71/09/1021107109.db2.gz FLAKHEFAJAQXAF-UHFFFAOYSA-N -1 0 309.326 -0.554 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC001588501895 1021107310 /nfs/dbraw/zinc/10/73/10/1021107310.db2.gz KGLDEGDPSICAQX-QWRGUYRKSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001588498351 1021107350 /nfs/dbraw/zinc/10/73/50/1021107350.db2.gz UFVOLUGEDOUKST-BDAKNGLRSA-N -1 0 316.335 -0.864 20 0 DBADRM CC(=O)N1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@@H](C)C1 ZINC001588495587 1021107374 /nfs/dbraw/zinc/10/73/74/1021107374.db2.gz MXBOIRZHEUIWHZ-UWVGGRQHSA-N -1 0 313.354 -0.755 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC001588501896 1021107701 /nfs/dbraw/zinc/10/77/01/1021107701.db2.gz KGLDEGDPSICAQX-WDEREUQCSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(=O)NC1CCC(N(C)C(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC001588503095 1021108435 /nfs/dbraw/zinc/10/84/35/1021108435.db2.gz KUJQSFUUANDRRA-UHFFFAOYSA-N -1 0 323.353 -0.118 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCCc2nn[nH]c21)[C@@H](C)C(=O)[O-] ZINC001588506715 1021109076 /nfs/dbraw/zinc/10/90/76/1021109076.db2.gz NYWLKONLNAMCOY-WCBMZHEXSA-N -1 0 323.353 -0.338 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCCN(C)C1=O)[C@H](C)C(=O)[O-] ZINC001588506389 1021109302 /nfs/dbraw/zinc/10/93/02/1021109302.db2.gz HMQZQLWNADQZHY-KOLCDFICSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(=O)NCCN(C(=O)Cc1cncc(O)c1)[C@@H](C)C(=O)[O-] ZINC001588507492 1021109527 /nfs/dbraw/zinc/10/95/27/1021109527.db2.gz GVNFBBLYVSRIEV-VIFPVBQESA-N -1 0 309.322 -0.233 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1)C(N)=O ZINC001588515399 1021110318 /nfs/dbraw/zinc/11/03/18/1021110318.db2.gz MTHUSTGKYGGHSD-WCQYABFASA-N -1 0 321.333 -0.383 20 0 DBADRM CC(=O)NCCN(C(=O)c1nnc(C2CC2)o1)[C@@H](C)C(=O)[O-] ZINC001588509068 1021110377 /nfs/dbraw/zinc/11/03/77/1021110377.db2.gz VIYBSKKJOKZPFP-ZETCQYMHSA-N -1 0 310.310 -0.002 20 0 DBADRM CC(=O)N[C@@H](C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O)C(C)C ZINC001588515253 1021111538 /nfs/dbraw/zinc/11/15/38/1021111538.db2.gz GYALWRZFZQUOEG-MWLCHTKSSA-N -1 0 300.311 -0.624 20 0 DBADRM C[C@@H](C(=O)N(CC(=O)[O-])C1CCOCC1)N1CCN(C)CC1 ZINC001588544940 1021112543 /nfs/dbraw/zinc/11/25/43/1021112543.db2.gz CFIOKZLVTOZUKA-LBPRGKRZSA-N -1 0 313.398 -0.286 20 0 DBADRM CC(=O)c1cn(C2CN(C(=O)[C@@]3(C(=O)[O-])CCCO3)C2)nn1 ZINC001588533772 1021113628 /nfs/dbraw/zinc/11/36/28/1021113628.db2.gz LKMUGTZGPHDVGQ-CYBMUJFWSA-N -1 0 308.294 -0.502 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])C1CCOCC1 ZINC001588550915 1021115256 /nfs/dbraw/zinc/11/52/56/1021115256.db2.gz HGNGPTSICHUVQX-KOLCDFICSA-N -1 0 319.379 -0.241 20 0 DBADRM C[C@@H](C(=O)NCCOCCOCC(=O)[O-])[C@H]1CCC(=O)N1 ZINC001588557583 1021115308 /nfs/dbraw/zinc/11/53/08/1021115308.db2.gz VYLSYYLAKLLUGG-NXEZZACHSA-N -1 0 302.327 -0.865 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001588563421 1021117096 /nfs/dbraw/zinc/11/70/96/1021117096.db2.gz SNXOMJJTMJGQKL-UWVGGRQHSA-N -1 0 306.384 -0.716 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC001588564779 1021117602 /nfs/dbraw/zinc/11/76/02/1021117602.db2.gz CDNLLRRWKQXERY-VIFPVBQESA-N -1 0 306.322 -0.450 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001588569118 1021117922 /nfs/dbraw/zinc/11/79/22/1021117922.db2.gz BKKSGEIIALHIHQ-SNVBAGLBSA-N -1 0 321.333 -0.744 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC001588570598 1021118203 /nfs/dbraw/zinc/11/82/03/1021118203.db2.gz RNSOLCOLBKRULF-UWVGGRQHSA-N -1 0 308.338 -0.252 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC001588564248 1021118257 /nfs/dbraw/zinc/11/82/57/1021118257.db2.gz FCCNTPMMNOXQQD-NSHDSACASA-N -1 0 311.382 -0.280 20 0 DBADRM C[C@@H](C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O)N1CCSCC1 ZINC001588606535 1021119177 /nfs/dbraw/zinc/11/91/77/1021119177.db2.gz IRGJBINIGVBNRN-UWVGGRQHSA-N -1 0 316.379 -0.348 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCO[C@H]3C[C@H]32)n1 ZINC001588620197 1021119449 /nfs/dbraw/zinc/11/94/49/1021119449.db2.gz ORUHNOXAOLNKFA-BDAKNGLRSA-N -1 0 322.321 -0.359 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001588611167 1021119972 /nfs/dbraw/zinc/11/99/72/1021119972.db2.gz LDZJARNBVCBZCE-NOZJJQNGSA-N -1 0 319.379 -0.050 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(N2C(=O)[C@H]3COCCN3C2=O)n1 ZINC001588620192 1021120011 /nfs/dbraw/zinc/12/00/11/1021120011.db2.gz OLPPJGRDNKMQKL-MRVPVSSYSA-N -1 0 308.294 -0.130 20 0 DBADRM CC(C)(CNC(=O)[C@@]1(C(=O)[O-])CC1(C)C)CS(N)(=O)=O ZINC001588779259 1021129746 /nfs/dbraw/zinc/12/97/46/1021129746.db2.gz AUONJBTVFQZFIS-GFCCVEGCSA-N -1 0 306.384 -0.082 20 0 DBADRM CC(C)(C)OC(=O)C(=O)N[C@@H](CNC(=O)C(=O)[O-])C1CC1 ZINC001588670186 1021126762 /nfs/dbraw/zinc/12/67/62/1021126762.db2.gz QBGGTOHCMMZWQJ-QMMMGPOBSA-N -1 0 300.311 -0.576 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001588716637 1021129175 /nfs/dbraw/zinc/12/91/75/1021129175.db2.gz SVVUZLLNSNNQJG-SDBXPKJASA-N -1 0 318.326 -0.768 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCCCC(=O)[O-] ZINC001588710094 1021129236 /nfs/dbraw/zinc/12/92/36/1021129236.db2.gz XKRHZGBJFAQZQN-UHFFFAOYSA-N -1 0 317.342 -0.392 20 0 DBADRM CC(C)(C)[S@](=O)CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001588738963 1021130097 /nfs/dbraw/zinc/13/00/97/1021130097.db2.gz SVJDJUFTLIWSSR-JLTPVHFHSA-N -1 0 318.395 -0.417 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@H](C(=O)[O-])C1)CS(N)(=O)=O ZINC001588779191 1021130703 /nfs/dbraw/zinc/13/07/03/1021130703.db2.gz LBDUGEWRYJRKBZ-QMMMGPOBSA-N -1 0 307.372 -0.583 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCCN(CC(=O)N(C)C)CC1 ZINC001588803084 1021134197 /nfs/dbraw/zinc/13/41/97/1021134197.db2.gz LVHRSRDJUVOXSC-ZDUSSCGKSA-N -1 0 313.398 -0.034 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O)C(=O)[O-] ZINC001588815236 1021135294 /nfs/dbraw/zinc/13/52/94/1021135294.db2.gz HYLFVAIOTKTYON-TWJDXUGASA-N -1 0 316.379 -0.809 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 ZINC001588803816 1021135717 /nfs/dbraw/zinc/13/57/17/1021135717.db2.gz IWZCSBQZYBKTFG-VHSXEESVSA-N -1 0 307.368 -0.385 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CC[C@@H](CS(N)(=O)=O)C1)C(=O)[O-] ZINC001588823458 1021136439 /nfs/dbraw/zinc/13/64/39/1021136439.db2.gz XICZNKPWEWLUCZ-NXEZZACHSA-N -1 0 321.399 -0.337 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CC[C@H](CS(N)(=O)=O)C1)C(=O)[O-] ZINC001588823462 1021137611 /nfs/dbraw/zinc/13/76/11/1021137611.db2.gz XICZNKPWEWLUCZ-VHSXEESVSA-N -1 0 321.399 -0.337 20 0 DBADRM CC(C)[C@H](CNC(=O)NCCN1CCNC(=O)C1)C(=O)[O-] ZINC001588825269 1021138250 /nfs/dbraw/zinc/13/82/50/1021138250.db2.gz NYGYHWRFEXMWBH-JTQLQIEISA-N -1 0 300.359 -0.926 20 0 DBADRM CC(C)[C@@H](CNC(=S)NCCNS(C)(=O)=O)C(=O)[O-] ZINC001588830839 1021139691 /nfs/dbraw/zinc/13/96/91/1021139691.db2.gz OYUXWFYVEHSXHI-MRVPVSSYSA-N -1 0 311.429 -0.644 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NCCCC(=O)[O-] ZINC001588844323 1021140651 /nfs/dbraw/zinc/14/06/51/1021140651.db2.gz ZHXJNTSFOLALRE-VIFPVBQESA-N -1 0 301.343 -0.626 20 0 DBADRM CC(C)C[C@@H](CNC(=O)N1CC(NS(C)(=O)=O)C1)C(=O)[O-] ZINC001588846769 1021140665 /nfs/dbraw/zinc/14/06/65/1021140665.db2.gz GXSXNTAOOCQXGG-VIFPVBQESA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC001588843254 1021141264 /nfs/dbraw/zinc/14/12/64/1021141264.db2.gz HCTGXABHKOLJQF-CABZTGNLSA-N -1 0 315.370 -0.382 20 0 DBADRM CC(C)C[C@@H](CO)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001588881059 1021148340 /nfs/dbraw/zinc/14/83/40/1021148340.db2.gz NRISQYIAFGIYBS-WDEREUQCSA-N -1 0 300.355 -0.167 20 0 DBADRM CN1CC[C@@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)CC1=O ZINC001588870882 1021148567 /nfs/dbraw/zinc/14/85/67/1021148567.db2.gz RSKGKTKMECLGNG-SECBINFHSA-N -1 0 307.306 -0.717 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001588921868 1021150726 /nfs/dbraw/zinc/15/07/26/1021150726.db2.gz RFELUQMSXGMXEP-PGUXBMHVSA-N -1 0 310.350 -0.055 20 0 DBADRM CC(C)C[C@H]1COCCN1C(=O)C(=O)NCCOCC(=O)[O-] ZINC001588905568 1021151561 /nfs/dbraw/zinc/15/15/61/1021151561.db2.gz LHSYVPGVDJRBGP-NSHDSACASA-N -1 0 316.354 -0.523 20 0 DBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001588925017 1021152991 /nfs/dbraw/zinc/15/29/91/1021152991.db2.gz COWSMNIFFRCSKH-TVQRCGJNSA-N -1 0 301.343 -0.479 20 0 DBADRM CC(C)OC(=O)CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001588927811 1021153437 /nfs/dbraw/zinc/15/34/37/1021153437.db2.gz FUMVPZGSUFIHPL-SNVBAGLBSA-N -1 0 314.338 -0.233 20 0 DBADRM CC(C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001588923329 1021154772 /nfs/dbraw/zinc/15/47/72/1021154772.db2.gz SAFQGJSAVVFUEA-UWVGGRQHSA-N -1 0 313.354 -0.661 20 0 DBADRM C/C(=C\C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001588939159 1021155291 /nfs/dbraw/zinc/15/52/91/1021155291.db2.gz SFEOGPOWSFLXDD-LAHYYIKRSA-N -1 0 320.349 -0.158 20 0 DBADRM C/C(=C/C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001588939161 1021155555 /nfs/dbraw/zinc/15/55/55/1021155555.db2.gz SFEOGPOWSFLXDD-WDDYJBPVSA-N -1 0 320.349 -0.158 20 0 DBADRM C/C(=C/C(=O)N1CCC(O)(C(=O)[O-])CC1)CN1CCOCC1 ZINC001588937831 1021157244 /nfs/dbraw/zinc/15/72/44/1021157244.db2.gz UWNGUNKWPKOIIP-BENRWUELSA-N -1 0 312.366 -0.297 20 0 DBADRM C[C@H](C(=O)N(C)Cc1cn[nH]c1)n1cnc(-c2nnn[n-]2)n1 ZINC001588943479 1021158744 /nfs/dbraw/zinc/15/87/44/1021158744.db2.gz PSIFOVJTXTWXGV-SSDOTTSWSA-N -1 0 302.302 -0.599 20 0 DBADRM C[C@H](C(=O)N(C)c1nccn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001588942834 1021159107 /nfs/dbraw/zinc/15/91/07/1021159107.db2.gz HSZXKGWHKUMIJT-SSDOTTSWSA-N -1 0 302.302 -0.584 20 0 DBADRM C[C@@H](C(=O)N(C)CCCCCO)n1cnc(-c2nnn[n-]2)n1 ZINC001588939776 1021159464 /nfs/dbraw/zinc/15/94/64/1021159464.db2.gz GHZKGSDBTUBWGY-VIFPVBQESA-N -1 0 308.346 -0.360 20 0 DBADRM CC(C)OC[C@@H](CO)N(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001588933334 1021160184 /nfs/dbraw/zinc/16/01/84/1021160184.db2.gz LRQCLNOACXUXTJ-MNOVXSKESA-N -1 0 324.399 -0.502 20 0 DBADRM C/C(=C/C(=O)[O-])CN1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001588949775 1021161522 /nfs/dbraw/zinc/16/15/22/1021161522.db2.gz VBOSEWAEOLBHKR-BENRWUELSA-N -1 0 309.366 -0.216 20 0 DBADRM CC(C)[C@H](CO)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588954981 1021161872 /nfs/dbraw/zinc/16/18/72/1021161872.db2.gz XDRLGGDZCWZJCZ-MNOVXSKESA-N -1 0 315.370 -0.232 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)[O-] ZINC001588960848 1021163279 /nfs/dbraw/zinc/16/32/79/1021163279.db2.gz NNAVFGNSFIEMMT-BWKAKNAASA-N -1 0 301.390 -0.496 20 0 DBADRM CC(C)[C@@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)C(=O)[O-] ZINC001588950083 1021163659 /nfs/dbraw/zinc/16/36/59/1021163659.db2.gz ASMSQHUSKUZXOE-CYBMUJFWSA-N -1 0 320.349 -0.143 20 0 DBADRM C[C@H](C(=O)N1CCCC[C@H]1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001588957045 1021163725 /nfs/dbraw/zinc/16/37/25/1021163725.db2.gz PHXMGZOPCDBSME-BDAKNGLRSA-N -1 0 306.330 -0.607 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCOC1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588978136 1021168550 /nfs/dbraw/zinc/16/85/50/1021168550.db2.gz NSIHNUAQZNSIIK-JGVFFNPUSA-N -1 0 306.330 -0.297 20 0 DBADRM C/C(=C\CNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)C(=O)[O-] ZINC001588971302 1021168600 /nfs/dbraw/zinc/16/86/00/1021168600.db2.gz AVSUPOYBKVFBEM-KFOKRZIESA-N -1 0 302.352 -0.297 20 0 DBADRM C/C(=C/CNC(=O)N(C)C[C@H](O)CN1CCOCC1)C(=O)[O-] ZINC001588966961 1021168880 /nfs/dbraw/zinc/16/88/80/1021168880.db2.gz NRKTVARKUJCBOL-LCKPPEIMSA-N -1 0 315.370 -0.648 20 0 DBADRM C[C@H](C(=O)N[C@H]1C[C@@H](O)C12CCC2)n1cnc(-c2nnn[n-]2)n1 ZINC001588970348 1021169196 /nfs/dbraw/zinc/16/91/96/1021169196.db2.gz FQDFJNBAHNKLDO-HRDYMLBCSA-N -1 0 318.341 -0.561 20 0 DBADRM C[C@H](C(=O)NC1CCC(=O)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588972672 1021169250 /nfs/dbraw/zinc/16/92/50/1021169250.db2.gz LPZGPEGRHGKLCY-SSDOTTSWSA-N -1 0 304.314 -0.353 20 0 DBADRM C[C@H](C(=O)N[C@@H]1C[C@@H](O)C1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588970183 1021169958 /nfs/dbraw/zinc/16/99/58/1021169958.db2.gz BURHXBVGEBUQMR-BWZBUEFSSA-N -1 0 306.330 -0.705 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CC12CC(O)C2)n1cnc(-c2nnn[n-]2)n1 ZINC001588973665 1021171691 /nfs/dbraw/zinc/17/16/91/1021171691.db2.gz UZVABVMQTWYJDR-DOHFPPDUSA-N -1 0 304.314 -0.951 20 0 DBADRM C[C@H](C(=O)NCCOCC1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588992091 1021173804 /nfs/dbraw/zinc/17/38/04/1021173804.db2.gz NNCPOBRXWJKYOC-MRVPVSSYSA-N -1 0 306.330 -0.438 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001588983296 1021173879 /nfs/dbraw/zinc/17/38/79/1021173879.db2.gz HCARITPDUQJNKC-IUCAKERBSA-N -1 0 306.330 -0.296 20 0 DBADRM CC(=O)CSCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001589041356 1021188003 /nfs/dbraw/zinc/18/80/03/1021188003.db2.gz LFZSGTXTYNOFHR-GZMMTYOYSA-N -1 0 323.392 -0.687 20 0 DBADRM CC(C)n1[nH]cnc1=NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001588988633 1021175045 /nfs/dbraw/zinc/17/50/45/1021175045.db2.gz XPTCTOTXBHADOO-UHFFFAOYSA-N -1 0 323.353 -0.067 20 0 DBADRM C[C@H](CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])n1cccn1 ZINC001588988758 1021175477 /nfs/dbraw/zinc/17/54/77/1021175477.db2.gz HVLHJFKSKNMWAC-ZJUUUORDSA-N -1 0 315.351 -0.456 20 0 DBADRM C[C@H](C(=O)NC[C@@]1(O)CCC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001588983734 1021175937 /nfs/dbraw/zinc/17/59/37/1021175937.db2.gz JNWKOLKOEBDJOV-KKFJDGPESA-N -1 0 320.357 -0.314 20 0 DBADRM C[C@H](C(=O)NCCn1cnc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001588996694 1021177393 /nfs/dbraw/zinc/17/73/93/1021177393.db2.gz YIIOOOOKXFURDK-RXMQYKEDSA-N -1 0 304.236 -0.227 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCC[C@H]1O)n1cnc(-c2nnn[n-]2)n1 ZINC001588996635 1021177604 /nfs/dbraw/zinc/17/76/04/1021177604.db2.gz WEAYJBGZBTZNAN-XHNCKOQMSA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@H](C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001589003162 1021177742 /nfs/dbraw/zinc/17/77/42/1021177742.db2.gz QRQOWYWPMYOMHU-SSDOTTSWSA-N -1 0 311.323 -0.290 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001588997493 1021178406 /nfs/dbraw/zinc/17/84/06/1021178406.db2.gz CTWBZXJZZHDAIN-SECBINFHSA-N -1 0 309.326 -0.359 20 0 DBADRM C[C@H](C(=O)NCCc1ccoc1)n1cnc(-c2nnn[n-]2)n1 ZINC001588995992 1021178828 /nfs/dbraw/zinc/17/88/28/1021178828.db2.gz AJIDZCBSJADWES-MRVPVSSYSA-N -1 0 302.298 -0.029 20 0 DBADRM C[C@@H](C(=O)NCCc1nccn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001588996026 1021179299 /nfs/dbraw/zinc/17/92/99/1021179299.db2.gz AQSUCHCZQHERJE-QMMMGPOBSA-N -1 0 316.329 -0.888 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC001588993336 1021180241 /nfs/dbraw/zinc/18/02/41/1021180241.db2.gz CYVWCQOMRNAECL-QMMMGPOBSA-N -1 0 307.306 -0.368 20 0 DBADRM C[C@@H](C(=O)OCCc1cnn(C)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001589030853 1021181189 /nfs/dbraw/zinc/18/11/89/1021181189.db2.gz PTYSRMZLCVYMCC-QMMMGPOBSA-N -1 0 317.313 -0.461 20 0 DBADRM CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@](C)(CO)C(=O)[O-] ZINC001589024337 1021181563 /nfs/dbraw/zinc/18/15/63/1021181563.db2.gz KLLPFPLSLAKVHY-XJKSGUPXSA-N -1 0 322.361 -0.272 20 0 DBADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001589024920 1021183134 /nfs/dbraw/zinc/18/31/34/1021183134.db2.gz FICRCRPRXZRILZ-RXMQYKEDSA-N -1 0 301.284 -0.447 20 0 DBADRM CC(=O)C[C@@H]1COCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001589030290 1021183271 /nfs/dbraw/zinc/18/32/71/1021183271.db2.gz HVZLYEPUMRLPJW-LLVKDONJSA-N -1 0 322.317 -0.247 20 0 DBADRM C[C@H](C(=O)OC[C@@H]1COC(C)(C)O1)n1cnc(-c2nnn[n-]2)n1 ZINC001589025931 1021183320 /nfs/dbraw/zinc/18/33/20/1021183320.db2.gz GTHMJYCUHCHVGN-HTQZYQBOSA-N -1 0 323.313 -0.286 20 0 DBADRM C[C@@H](C(=O)OCCC1OCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001589028239 1021184587 /nfs/dbraw/zinc/18/45/87/1021184587.db2.gz UVSNNSZHDNSJPE-ZETCQYMHSA-N -1 0 309.286 -0.675 20 0 DBADRM C[C@@H](C(=O)OC[C@H]1COC(C)(C)O1)n1cnc(-c2nnn[n-]2)n1 ZINC001589025938 1021184668 /nfs/dbraw/zinc/18/46/68/1021184668.db2.gz GTHMJYCUHCHVGN-YUMQZZPRSA-N -1 0 323.313 -0.286 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001589025055 1021184713 /nfs/dbraw/zinc/18/47/13/1021184713.db2.gz JQEIBZVCJGYHQO-LURJTMIESA-N -1 0 312.311 -0.645 20 0 DBADRM C[C@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001589003216 1021184834 /nfs/dbraw/zinc/18/48/34/1021184834.db2.gz UIEFYOFEFUMLHG-HRDYMLBCSA-N -1 0 304.314 -0.928 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001589229800 1021204435 /nfs/dbraw/zinc/20/44/35/1021204435.db2.gz XCDUJHZGJHSOQQ-UHFFFAOYSA-N -1 0 309.340 -0.819 20 0 DBADRM C[C@@H](C(=O)OCc1cnsn1)n1cnc(-c2nnn[n-]2)n1 ZINC001589032819 1021187941 /nfs/dbraw/zinc/18/79/41/1021187941.db2.gz ROBGOTWYTSZLAI-YFKPBYRVSA-N -1 0 307.299 -0.386 20 0 DBADRM CC(=O)N1CC[C@@H](COC(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001589065027 1021187979 /nfs/dbraw/zinc/18/79/79/1021187979.db2.gz GNXQVNBBSRJZAX-LLVKDONJSA-N -1 0 322.317 -0.042 20 0 DBADRM C[C@H](C(=O)OCc1cncn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001589033510 1021188451 /nfs/dbraw/zinc/18/84/51/1021188451.db2.gz YPLZSUKKEXPNEF-SSDOTTSWSA-N -1 0 303.286 -0.504 20 0 DBADRM C[C@H](C(=O)OCc1csnn1)n1cnc(-c2nnn[n-]2)n1 ZINC001589032106 1021188854 /nfs/dbraw/zinc/18/88/54/1021188854.db2.gz HUDDUQFROVQETA-RXMQYKEDSA-N -1 0 307.299 -0.386 20 0 DBADRM CC(=O)N1CC[C@H](COC(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001589065028 1021190940 /nfs/dbraw/zinc/19/09/40/1021190940.db2.gz GNXQVNBBSRJZAX-NSHDSACASA-N -1 0 322.317 -0.042 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001589066194 1021191737 /nfs/dbraw/zinc/19/17/37/1021191737.db2.gz HURHATAKIIUDSM-NSHDSACASA-N -1 0 313.354 -0.658 20 0 DBADRM CC(=O)N1CC[C@@H](OC(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001589087508 1021191871 /nfs/dbraw/zinc/19/18/71/1021191871.db2.gz BBEUJQMAQVUZIE-SNVBAGLBSA-N -1 0 308.290 -0.290 20 0 DBADRM CC(=O)N1CCO[C@H](C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1 ZINC001589087199 1021191948 /nfs/dbraw/zinc/19/19/48/1021191948.db2.gz PRZZQXYSEWLWRJ-CIUDSAMLSA-N -1 0 306.265 -0.684 20 0 DBADRM CC(=O)N1CC[C@@H](n2nnnc2N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC001589087674 1021192083 /nfs/dbraw/zinc/19/20/83/1021192083.db2.gz KMRDCISEHKZSBV-MFKMUULPSA-N -1 0 308.342 -0.233 20 0 DBADRM CC(=O)N1CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)[C@@H](C)C1 ZINC001589079997 1021192317 /nfs/dbraw/zinc/19/23/17/1021192317.db2.gz NHTCNXDRLCEADF-VIFPVBQESA-N -1 0 324.341 -0.762 20 0 DBADRM CC(=O)NCC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001589127607 1021193921 /nfs/dbraw/zinc/19/39/21/1021193921.db2.gz BVLYIYJYPZKYIF-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NCCCNc1ncc(C(=O)[O-])cn1 ZINC001589106148 1021194352 /nfs/dbraw/zinc/19/43/52/1021194352.db2.gz VVIMOIHCAKDWHM-MRVPVSSYSA-N -1 0 309.326 -0.382 20 0 DBADRM CC(=O)NCC(=O)N1CCCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001589123011 1021194767 /nfs/dbraw/zinc/19/47/67/1021194767.db2.gz QUIVXQIPGGQCGS-UHFFFAOYSA-N -1 0 321.337 -0.650 20 0 DBADRM CC(C)(C)[C@H](O)C[C@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001589096164 1021195351 /nfs/dbraw/zinc/19/53/51/1021195351.db2.gz PTOBCZACAHWEJB-RKDXNWHRSA-N -1 0 307.358 -0.352 20 0 DBADRM CC(=O)NCC(=O)N1CCCN(C(=O)CCCC(=O)[O-])CC1 ZINC001589123572 1021196753 /nfs/dbraw/zinc/19/67/53/1021196753.db2.gz XVHDMMHDLIFERN-UHFFFAOYSA-N -1 0 313.354 -0.562 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CF)C(=O)[O-] ZINC001589103953 1021197191 /nfs/dbraw/zinc/19/71/91/1021197191.db2.gz MOJYRXUIXCURPF-QMMMGPOBSA-N -1 0 319.333 -0.665 20 0 DBADRM CC(=O)NCCN(C)CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001589137569 1021198436 /nfs/dbraw/zinc/19/84/36/1021198436.db2.gz IJPILVNTPKRNPL-CYBMUJFWSA-N -1 0 314.342 -0.813 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)OCc1cc(C(=O)[O-])oc1C ZINC001589127719 1021198824 /nfs/dbraw/zinc/19/88/24/1021198824.db2.gz LAHZCQWXPOAYCT-UHFFFAOYSA-N -1 0 312.278 -0.418 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-])C(N)=O ZINC001589153449 1021200029 /nfs/dbraw/zinc/20/00/29/1021200029.db2.gz YLNYQSFUEUVZLS-GMOBBJLQSA-N -1 0 311.338 -0.922 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001589127754 1021200838 /nfs/dbraw/zinc/20/08/38/1021200838.db2.gz NMALTBCBFPBLKP-ZETCQYMHSA-N -1 0 312.278 -0.166 20 0 DBADRM CC(=O)NCCNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589143433 1021201435 /nfs/dbraw/zinc/20/14/35/1021201435.db2.gz DNEGPOOHJXHJKJ-SECBINFHSA-N -1 0 310.314 -0.931 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001589152606 1021201557 /nfs/dbraw/zinc/20/15/57/1021201557.db2.gz FALUXQORMFWRDR-JTQLQIEISA-N -1 0 311.342 -0.357 20 0 DBADRM CC(=O)OC1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1 ZINC001589224695 1021203263 /nfs/dbraw/zinc/20/32/63/1021203263.db2.gz LYXIECBPYHFHRO-UHFFFAOYSA-N -1 0 317.323 -0.176 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)CCCN1CCCC1=O)C(=O)[O-] ZINC001589156848 1021203947 /nfs/dbraw/zinc/20/39/47/1021203947.db2.gz XRNMTHUTABROJP-FVINQWEUSA-N -1 0 304.368 -0.663 20 0 DBADRM CC(=O)Nc1cnccc1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001589222947 1021204358 /nfs/dbraw/zinc/20/43/58/1021204358.db2.gz GIGAKQKRRYBEOR-JTQLQIEISA-N -1 0 323.305 -0.014 20 0 DBADRM CC(C)(O)[C@@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001589326896 1021207613 /nfs/dbraw/zinc/20/76/13/1021207613.db2.gz NLVTXUOTWPTMRL-SECBINFHSA-N -1 0 320.357 -0.532 20 0 DBADRM CC(C)(F)CCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589312393 1021207793 /nfs/dbraw/zinc/20/77/93/1021207793.db2.gz GAZLHHMQCZNRIM-UHFFFAOYSA-N -1 0 311.325 -0.104 20 0 DBADRM CC(=O)c1cn(C2CN(S(=O)(=O)C[C@H](C)C(=O)[O-])C2)nn1 ZINC001589316051 1021208052 /nfs/dbraw/zinc/20/80/52/1021208052.db2.gz MKJCFFCJRCGJPI-ZETCQYMHSA-N -1 0 316.339 -0.612 20 0 DBADRM CC(=O)c1cn(CC(=O)N[C@H](CC2CCOCC2)C(=O)[O-])nn1 ZINC001589318627 1021210456 /nfs/dbraw/zinc/21/04/56/1021210456.db2.gz MCEFLHLCEGLACL-LLVKDONJSA-N -1 0 324.337 -0.133 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N[C@H](CCF)C(=O)[O-])n1cccn1 ZINC001589336958 1021211977 /nfs/dbraw/zinc/21/19/77/1021211977.db2.gz MHVWDBMPRICXSL-VHSXEESVSA-N -1 0 314.317 -0.169 20 0 DBADRM CC(C)(O)CO[N-]C(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001589338930 1021213189 /nfs/dbraw/zinc/21/31/89/1021213189.db2.gz OWAZNQUKNRMKJJ-UHFFFAOYSA-N -1 0 307.314 -0.508 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)NCC1(C(=O)[O-])CC1)n1cccn1 ZINC001589336527 1021214781 /nfs/dbraw/zinc/21/47/81/1021214781.db2.gz ILIFAHYIJLKTQH-SNVBAGLBSA-N -1 0 308.338 -0.117 20 0 DBADRM C[C@@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])c1cncnc1 ZINC001589341755 1021215641 /nfs/dbraw/zinc/21/56/41/1021215641.db2.gz AUDXUWYTEZRTDC-GFCCVEGCSA-N -1 0 322.365 -0.175 20 0 DBADRM C[C@H](C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-])N1CCNCC1=O ZINC001589346780 1021215928 /nfs/dbraw/zinc/21/59/28/1021215928.db2.gz VEKBHVZCTZSOSY-XZUYRWCXSA-N -1 0 309.366 -0.482 20 0 DBADRM C[C@@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)[C@H]1CCC(=O)N1 ZINC001589345823 1021215996 /nfs/dbraw/zinc/21/59/96/1021215996.db2.gz GXNXQRRWHGZAJT-VXNVDRBHSA-N -1 0 307.310 -0.726 20 0 DBADRM CC(C)(O)CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001589339145 1021216861 /nfs/dbraw/zinc/21/68/61/1021216861.db2.gz OUYCHTILWRMACN-UHFFFAOYSA-N -1 0 306.330 -0.780 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001589336735 1021216916 /nfs/dbraw/zinc/21/69/16/1021216916.db2.gz LNBWHMLBKZPEKI-SKDRFNHKSA-N -1 0 322.383 -0.594 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@@H](NC(N)=O)C1 ZINC001589350731 1021217846 /nfs/dbraw/zinc/21/78/46/1021217846.db2.gz SWLRDYSFPPFIQR-GXSJLCMTSA-N -1 0 312.370 -0.559 20 0 DBADRM C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001589375401 1021218966 /nfs/dbraw/zinc/21/89/66/1021218966.db2.gz UKFNDVYGAJNAPJ-UTLUCORTSA-N -1 0 315.370 -0.233 20 0 DBADRM CC(C)=CC(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001589368086 1021219194 /nfs/dbraw/zinc/21/91/94/1021219194.db2.gz RBJXRVWSKOXZJJ-SECBINFHSA-N -1 0 318.341 -0.488 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCc2nn[nH]c2C1 ZINC001589353329 1021219419 /nfs/dbraw/zinc/21/94/19/1021219419.db2.gz VUNCQJAJFAPPJR-SECBINFHSA-N -1 0 307.354 -0.126 20 0 DBADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1cccs1)N1CCNCC1=O ZINC001589379066 1021220552 /nfs/dbraw/zinc/22/05/52/1021220552.db2.gz YBMRTWBVMMSTNN-LDYMZIIASA-N -1 0 311.363 -0.190 20 0 DBADRM C[C@H](C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1)n1cncn1 ZINC001589357194 1021225616 /nfs/dbraw/zinc/22/56/16/1021225616.db2.gz WIWAUHOBPWKGSZ-SECBINFHSA-N -1 0 319.325 -0.008 20 0 DBADRM C[C@H](C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])[C@@H]1CCC(=O)N1 ZINC001589385983 1021226585 /nfs/dbraw/zinc/22/65/85/1021226585.db2.gz RHOCRQFCKCBQOT-CIUDSAMLSA-N -1 0 300.311 -0.767 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](OC(=O)N(C)C)C1 ZINC001589397893 1021226841 /nfs/dbraw/zinc/22/68/41/1021226841.db2.gz VISGGUCLMWZNEH-NXEZZACHSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@H](C(=O)N[C@](C)(CO)C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC001589381046 1021228240 /nfs/dbraw/zinc/22/82/40/1021228240.db2.gz LMZVACPWEMDVDM-YMTOWFKASA-N -1 0 319.321 -0.147 20 0 DBADRM C[C@@H](C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])N1CCSCC1 ZINC001589386450 1021228726 /nfs/dbraw/zinc/22/87/26/1021228726.db2.gz XVJRVMQUYKDYGP-UWVGGRQHSA-N -1 0 318.395 -0.244 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC(OC(=O)N(C)C)CC1 ZINC001589397339 1021231377 /nfs/dbraw/zinc/23/13/77/1021231377.db2.gz RNDCYBILVKXKOU-SECBINFHSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CC(=O)N(Cc2ccccc2)C1 ZINC001589396123 1021231844 /nfs/dbraw/zinc/23/18/44/1021231844.db2.gz ANVFNGHGNLJRHY-LLVKDONJSA-N -1 0 305.334 -0.122 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC(CS(C)(=O)=O)CC1 ZINC001589397975 1021232316 /nfs/dbraw/zinc/23/23/16/1021232316.db2.gz XUIBMWOPMBCDGA-SECBINFHSA-N -1 0 306.384 -0.668 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@H](OC(=O)N(C)C)C1 ZINC001589397896 1021232358 /nfs/dbraw/zinc/23/23/58/1021232358.db2.gz VISGGUCLMWZNEH-ZJUUUORDSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(CCc2ccncc2)CC1 ZINC001589401410 1021235394 /nfs/dbraw/zinc/23/53/94/1021235394.db2.gz SHYHSDLQGBRPAK-ZDUSSCGKSA-N -1 0 320.393 -0.169 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1Cc2nc(C3CC3)[nH]c(=O)c2C1 ZINC001589401841 1021239454 /nfs/dbraw/zinc/23/94/54/1021239454.db2.gz YRQGTGTXQMIHHV-SSDOTTSWSA-N -1 0 306.322 -0.036 20 0 DBADRM C[C@@H](C(=O)NCCc1cccc(C(=O)[O-])c1)N1CCNCC1=O ZINC001589410107 1021241771 /nfs/dbraw/zinc/24/17/71/1021241771.db2.gz SQQOGDUKGNOMGU-NSHDSACASA-N -1 0 319.361 -0.136 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)CC(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001589423604 1021243981 /nfs/dbraw/zinc/24/39/81/1021243981.db2.gz MFSQENFAXWGDNQ-DTWKUNHWSA-N -1 0 307.368 -0.052 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1)C(=O)[O-] ZINC001589474707 1021247632 /nfs/dbraw/zinc/24/76/32/1021247632.db2.gz ABCRWTCJLXZEKL-QMMMGPOBSA-N -1 0 315.311 -0.153 20 0 DBADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)cc1 ZINC001589498397 1021254163 /nfs/dbraw/zinc/25/41/63/1021254163.db2.gz TWKDTEHOKHNHCD-UWJYBYFXSA-N -1 0 322.317 -0.623 20 0 DBADRM CC(C)[C@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589480748 1021254258 /nfs/dbraw/zinc/25/42/58/1021254258.db2.gz UQJPEZRXEKJSHD-SSDOTTSWSA-N -1 0 301.328 -0.245 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)c1cn(CC(=O)N(C)C)nn1)C1CCC1 ZINC001589478969 1021255757 /nfs/dbraw/zinc/25/57/57/1021255757.db2.gz OZBSJQCDULSHGO-VIFPVBQESA-N -1 0 323.353 -0.166 20 0 DBADRM CC(C)CC(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001589520417 1021260192 /nfs/dbraw/zinc/26/01/92/1021260192.db2.gz CPZMHYRPDFLUIC-UHFFFAOYSA-N -1 0 304.358 -0.005 20 0 DBADRM CC(C)(C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1)N1CCOCC1 ZINC001589567667 1021260757 /nfs/dbraw/zinc/26/07/57/1021260757.db2.gz SHNOBHGXKFFMMV-NEPJUHHUSA-N -1 0 314.382 -0.049 20 0 DBADRM CC(C)C[C@@H](CO)N(C)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589563301 1021263311 /nfs/dbraw/zinc/26/33/11/1021263311.db2.gz YIZMVMNFALDYSR-UWVGGRQHSA-N -1 0 322.373 -0.115 20 0 DBADRM CC(C)(C(=O)[O-])c1csc(NC(=O)NC[C@H](O)CO)n1 ZINC001589654884 1021269463 /nfs/dbraw/zinc/26/94/63/1021269463.db2.gz LQQBJVSRKKLTSE-LURJTMIESA-N -1 0 303.340 -0.020 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)NC[C@@H]2CCCO2)cn1 ZINC001589660974 1021273802 /nfs/dbraw/zinc/27/38/02/1021273802.db2.gz XIDDAYHHKJLQBG-JTQLQIEISA-N -1 0 324.337 -0.064 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC001589623011 1021274627 /nfs/dbraw/zinc/27/46/27/1021274627.db2.gz OMVUUMWNJBAFHL-UHFFFAOYSA-N -1 0 304.368 -0.962 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001589690786 1021276302 /nfs/dbraw/zinc/27/63/02/1021276302.db2.gz BFLTXYMFKGKHOI-VIFPVBQESA-N -1 0 316.354 -0.129 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001589686803 1021277361 /nfs/dbraw/zinc/27/73/61/1021277361.db2.gz BQTTUWUWVQWJDJ-SNVBAGLBSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001589690869 1021279924 /nfs/dbraw/zinc/27/99/24/1021279924.db2.gz HNUBFKWLSFFQKY-GXSJLCMTSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001589690269 1021280272 /nfs/dbraw/zinc/28/02/72/1021280272.db2.gz KYVJWCYURBINIA-VIFPVBQESA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001589690872 1021280630 /nfs/dbraw/zinc/28/06/30/1021280630.db2.gz HNUBFKWLSFFQKY-ONGXEEELSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)N(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCOC1 ZINC001589672847 1021280744 /nfs/dbraw/zinc/28/07/44/1021280744.db2.gz FDDQBGHFSMZHDR-SECBINFHSA-N -1 0 306.330 -0.516 20 0 DBADRM CC(C)(C(N)=O)C(=O)N1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001589682357 1021282254 /nfs/dbraw/zinc/28/22/54/1021282254.db2.gz VVQQLXIHGSZUIG-UHFFFAOYSA-N -1 0 321.337 -0.665 20 0 DBADRM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC001589690172 1021283432 /nfs/dbraw/zinc/28/34/32/1021283432.db2.gz FWCIFGZSCMEBCE-HTQZYQBOSA-N -1 0 304.368 -0.504 20 0 DBADRM CC(C)(C(N)=O)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589682428 1021284024 /nfs/dbraw/zinc/28/40/24/1021284024.db2.gz XRPRDCVXUUQDNA-QMMMGPOBSA-N -1 0 309.326 -0.349 20 0 DBADRM CC(C)N(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H]1CCOC1 ZINC001589672849 1021284759 /nfs/dbraw/zinc/28/47/59/1021284759.db2.gz FDDQBGHFSMZHDR-VIFPVBQESA-N -1 0 306.330 -0.516 20 0 DBADRM CC(C)(C)[C@H](O)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001589721265 1021286175 /nfs/dbraw/zinc/28/61/75/1021286175.db2.gz ZCKQYAQUTWXPRN-IAQYHMDHSA-N -1 0 314.382 -0.219 20 0 DBADRM CC(C)(C)[C@H]1CCCN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001589728379 1021286633 /nfs/dbraw/zinc/28/66/33/1021286633.db2.gz JYZLLTYYDBZJQF-JTQLQIEISA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)(C)[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)C(N)=O ZINC001589710099 1021288084 /nfs/dbraw/zinc/28/80/84/1021288084.db2.gz GQTTUIOHLHWCPI-MRVPVSSYSA-N -1 0 309.326 -0.397 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)OCCCC(=O)C(=O)[O-] ZINC001589719480 1021288166 /nfs/dbraw/zinc/28/81/66/1021288166.db2.gz HSQPIEHIZUXIMT-SECBINFHSA-N -1 0 323.367 -0.073 20 0 DBADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1cnn(C[C@H](O)CO)c1 ZINC001589707076 1021292898 /nfs/dbraw/zinc/29/28/98/1021292898.db2.gz YXPZHURIHKQTKL-QWRGUYRKSA-N -1 0 313.354 -0.145 20 0 DBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001589718213 1021293532 /nfs/dbraw/zinc/29/35/32/1021293532.db2.gz ZYPBGSCRXABJIT-ZJUUUORDSA-N -1 0 315.370 -0.247 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@H](CO)NS(=O)(=O)CCCC(=O)[O-] ZINC001589723121 1021295303 /nfs/dbraw/zinc/29/53/03/1021295303.db2.gz SRQJNMWTYJFYNT-ZJUUUORDSA-N -1 0 311.400 -0.071 20 0 DBADRM CC(C)NC(=O)[C@@H](C)OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589719743 1021296476 /nfs/dbraw/zinc/29/64/76/1021296476.db2.gz FQNCVLIUXOASIL-JGVFFNPUSA-N -1 0 322.329 -0.525 20 0 DBADRM CC(C)n1nccc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589785333 1021299171 /nfs/dbraw/zinc/29/91/71/1021299171.db2.gz ZCFFYOHHZOWCMF-UHFFFAOYSA-N -1 0 316.329 -0.334 20 0 DBADRM CC(C)c1nnc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)o1 ZINC001589778468 1021301116 /nfs/dbraw/zinc/30/11/16/1021301116.db2.gz HXJVTMWQMVHKIO-UHFFFAOYSA-N -1 0 304.270 -0.316 20 0 DBADRM CC(C)c1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)no1 ZINC001589767919 1021302452 /nfs/dbraw/zinc/30/24/52/1021302452.db2.gz XLPYBKWLKBJEHW-UHFFFAOYSA-N -1 0 317.313 0.000 20 0 DBADRM CC(C)c1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)[nH]n1 ZINC001589767893 1021303386 /nfs/dbraw/zinc/30/33/86/1021303386.db2.gz VHUGITWNLSMMCB-UHFFFAOYSA-N -1 0 316.329 -0.265 20 0 DBADRM CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)[N-]S(=O)(=O)CC(=O)[O-])C1 ZINC001589805333 1021311344 /nfs/dbraw/zinc/31/13/44/1021311344.db2.gz CSRSDGXMLSCNJK-NSHDSACASA-N -1 0 310.347 -0.271 20 0 DBADRM CC(C)(C)NC(=O)NC(=O)CN1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001589830510 1021313654 /nfs/dbraw/zinc/31/36/54/1021313654.db2.gz PDDAKKXCHUKDIO-WPRPVWTQSA-N -1 0 301.343 -0.479 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001589824623 1021314977 /nfs/dbraw/zinc/31/49/77/1021314977.db2.gz JPZIROCRCKSFIP-SECBINFHSA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@H](CN(C)C(=O)Cc1ccc(-c2nn[nH]n2)nc1)C(=O)[O-] ZINC001589839982 1021315024 /nfs/dbraw/zinc/31/50/24/1021315024.db2.gz WESBNGQFSHLXQD-MRVPVSSYSA-N -1 0 304.310 -0.017 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NCCOCC(=O)[O-])C1 ZINC001589857033 1021320235 /nfs/dbraw/zinc/32/02/35/1021320235.db2.gz CZLGVDOTZYRCKV-VIFPVBQESA-N -1 0 316.310 -0.310 20 0 DBADRM C[C@@H](CNC(=O)C1CCC1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001589853520 1021322881 /nfs/dbraw/zinc/32/28/81/1021322881.db2.gz XDXHPWRLLOHDGE-QMMMGPOBSA-N -1 0 302.342 -0.205 20 0 DBADRM CC(C)(C)OC(=O)C1(C(=O)NC[C@H](O)C(=O)[O-])CCOCC1 ZINC001589849096 1021323626 /nfs/dbraw/zinc/32/36/26/1021323626.db2.gz QLIXBNCRQICEMS-VIFPVBQESA-N -1 0 317.338 -0.313 20 0 DBADRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)[C@@H]1CCC(=O)N1 ZINC001589877374 1021325014 /nfs/dbraw/zinc/32/50/14/1021325014.db2.gz CNRWVYQGTXAUJD-VIFPVBQESA-N -1 0 314.338 -0.090 20 0 DBADRM C[C@H](CO)CCCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001589886749 1021326389 /nfs/dbraw/zinc/32/63/89/1021326389.db2.gz JYXCCXRVIBKTIP-ZETCQYMHSA-N -1 0 309.330 -0.514 20 0 DBADRM CC(C)(C)OC(=O)CSCC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001589898633 1021330987 /nfs/dbraw/zinc/33/09/87/1021330987.db2.gz NWHXOFYBFOSZEM-UHFFFAOYSA-N -1 0 305.352 -0.281 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001589892034 1021331998 /nfs/dbraw/zinc/33/19/98/1021331998.db2.gz XCUZMXYDDWLERN-SKDRFNHKSA-N -1 0 317.338 -0.219 20 0 DBADRM C[C@@H](Cn1cncn1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589903609 1021332621 /nfs/dbraw/zinc/33/26/21/1021332621.db2.gz GKPIIPFCGCABJM-ZETCQYMHSA-N -1 0 324.326 -0.582 20 0 DBADRM CC(C)(C)OC(=O)N1CC(C(=O)N[C@](C)(CO)C(=O)[O-])C1 ZINC001589909709 1021333296 /nfs/dbraw/zinc/33/32/96/1021333296.db2.gz MLLRMCONSGJCAT-CYBMUJFWSA-N -1 0 302.327 -0.195 20 0 DBADRM CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001589919736 1021341746 /nfs/dbraw/zinc/34/17/46/1021341746.db2.gz CQAGVLCFBOMHCE-UHFFFAOYSA-N -1 0 314.338 -0.099 20 0 DBADRM C[C@](O)(CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)[O-] ZINC001589988065 1021345109 /nfs/dbraw/zinc/34/51/09/1021345109.db2.gz GQLUNNCHKXXLKB-LBPRGKRZSA-N -1 0 324.272 -0.037 20 0 DBADRM C[C@@H](O)C[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589996501 1021349836 /nfs/dbraw/zinc/34/98/36/1021349836.db2.gz HDNONMBTJFKEQS-NKWVEPMBSA-N -1 0 301.328 -0.103 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001589993886 1021355366 /nfs/dbraw/zinc/35/53/66/1021355366.db2.gz AXWSRHIMSUBRDU-LPEHRKFASA-N -1 0 320.357 -0.361 20 0 DBADRM C[C@H](O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001589995171 1021355425 /nfs/dbraw/zinc/35/54/25/1021355425.db2.gz LDSVCVBGENLOJC-JGVFFNPUSA-N -1 0 313.339 -0.149 20 0 DBADRM C[C@H](O)CC(C)(C)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589994150 1021355733 /nfs/dbraw/zinc/35/57/33/1021355733.db2.gz CUWCGGVKIOWOPH-IUCAKERBSA-N -1 0 322.373 -0.068 20 0 DBADRM CC1(C)CCC[C@@H](CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)O1 ZINC001590095400 1021380959 /nfs/dbraw/zinc/38/09/59/1021380959.db2.gz YMUXEWCQQPLIKE-VIFPVBQESA-N -1 0 320.357 -0.078 20 0 DBADRM CC1(C)C[C@H](C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001590078709 1021384023 /nfs/dbraw/zinc/38/40/23/1021384023.db2.gz WGMKUFLJRHJSEG-SECBINFHSA-N -1 0 320.357 -0.220 20 0 DBADRM C[C@@]1(CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCOC1 ZINC001590130605 1021387220 /nfs/dbraw/zinc/38/72/20/1021387220.db2.gz POPTZNWQUAPBQK-LBPRGKRZSA-N -1 0 321.345 -0.816 20 0 DBADRM CC1(C)CO[C@H](CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590110831 1021392850 /nfs/dbraw/zinc/39/28/50/1021392850.db2.gz JJBWUVVUZDSQOY-QMMMGPOBSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@@]1(O)CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001590150455 1021395359 /nfs/dbraw/zinc/39/53/59/1021395359.db2.gz QBXWAHXCNVMHHH-LLVKDONJSA-N -1 0 310.339 -0.593 20 0 DBADRM CCC1(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]2O)CC1 ZINC001513680850 1021411024 /nfs/dbraw/zinc/41/10/24/1021411024.db2.gz ZKONQXMUBIJYNR-ZJUUUORDSA-N -1 0 322.365 -0.085 20 0 DBADRM CC(C)(C)OC(=O)NCCCC(=O)NCC(=O)NCC(=O)[O-] ZINC001590185601 1021415205 /nfs/dbraw/zinc/41/52/05/1021415205.db2.gz SVUCOCKUONZBCX-UHFFFAOYSA-N -1 0 317.342 -0.392 20 0 DBADRM C[C@H]1C[C@@H](C(=O)NCCNc2ccnc(-c3nnn[n-]3)n2)CO1 ZINC001590183958 1021420096 /nfs/dbraw/zinc/42/00/96/1021420096.db2.gz WVJKOSZJNAPUAW-DTWKUNHWSA-N -1 0 318.341 -0.968 20 0 DBADRM C[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CS1 ZINC001590209059 1021427708 /nfs/dbraw/zinc/42/77/08/1021427708.db2.gz ZFNOUBUXQHTDNK-RNFRBKRXSA-N -1 0 323.382 -0.430 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC001590206576 1021427897 /nfs/dbraw/zinc/42/78/97/1021427897.db2.gz OISBSRCFKUOSEE-IUCAKERBSA-N -1 0 302.327 -0.149 20 0 DBADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590218392 1021428695 /nfs/dbraw/zinc/42/86/95/1021428695.db2.gz KFKGUEOSQWUKOD-XFWSIPNHSA-N -1 0 302.342 -0.134 20 0 DBADRM C[C@H]1C[C@@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CS1 ZINC001590209057 1021428775 /nfs/dbraw/zinc/42/87/75/1021428775.db2.gz ZFNOUBUXQHTDNK-NKWVEPMBSA-N -1 0 323.382 -0.430 20 0 DBADRM C[C@@H]1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@H](C)O1 ZINC001590208475 1021431471 /nfs/dbraw/zinc/43/14/71/1021431471.db2.gz WUKJCAZWWFOXPD-DSYKOEDSSA-N -1 0 307.314 -0.356 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C[C@@H]1F ZINC001590262807 1021433198 /nfs/dbraw/zinc/43/31/98/1021433198.db2.gz BMMHIPXHXUJJQW-BDAKNGLRSA-N -1 0 323.336 -0.152 20 0 DBADRM C[C@@H]1CC[C@H](CCC(=O)NCCn2cnc(-c3nnn[n-]3)n2)O1 ZINC001590227728 1021433619 /nfs/dbraw/zinc/43/36/19/1021433619.db2.gz BVVLSUWYZVJCOS-NXEZZACHSA-N -1 0 320.357 -0.078 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590278229 1021441626 /nfs/dbraw/zinc/44/16/26/1021441626.db2.gz QDDLSNQOTMXCJZ-CPCISQLKSA-N -1 0 316.321 -0.173 20 0 DBADRM C[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C[C@@H]1F ZINC001590276245 1021443246 /nfs/dbraw/zinc/44/32/46/1021443246.db2.gz LIDXEGVWKPBHAT-BQBZGAKWSA-N -1 0 309.305 -0.562 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N(CC(=O)[O-])C1CC1 ZINC001590275012 1021443556 /nfs/dbraw/zinc/44/35/56/1021443556.db2.gz XUIYXIUUMPTOQS-SECBINFHSA-N -1 0 302.327 -0.052 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CC(=O)N1 ZINC001590299327 1021447797 /nfs/dbraw/zinc/44/77/97/1021447797.db2.gz ZWFUOHIIABHHTF-ZETCQYMHSA-N -1 0 302.294 -0.467 20 0 DBADRM C[C@@H]1CN(CCO)CCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590307547 1021448777 /nfs/dbraw/zinc/44/87/77/1021448777.db2.gz IIWQBQBOGIYPMD-SECBINFHSA-N -1 0 306.326 -0.402 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CC(=O)N1 ZINC001590299325 1021452152 /nfs/dbraw/zinc/45/21/52/1021452152.db2.gz ZWFUOHIIABHHTF-SSDOTTSWSA-N -1 0 302.294 -0.467 20 0 DBADRM C[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)CCS(=O)(=O)C1 ZINC001590315998 1021454660 /nfs/dbraw/zinc/45/46/60/1021454660.db2.gz OSOTZDJEUVGNHT-MRVPVSSYSA-N -1 0 309.355 -0.472 20 0 DBADRM C[C@@H]1[C@H](C)CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@H]1C ZINC001590313388 1021455062 /nfs/dbraw/zinc/45/50/62/1021455062.db2.gz PFGUBCGIFWUFBE-PRJMDXOYSA-N -1 0 305.342 -0.266 20 0 DBADRM C[C@H]1COCC[C@@H]1CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590321459 1021456626 /nfs/dbraw/zinc/45/66/26/1021456626.db2.gz CARLZDSSMFPXGS-JGVFFNPUSA-N -1 0 321.341 -0.250 20 0 DBADRM C[C@@H]1[C@@H](C)[C@H](C)CN1c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590313387 1021459512 /nfs/dbraw/zinc/45/95/12/1021459512.db2.gz PFGUBCGIFWUFBE-GJMOJQLCSA-N -1 0 305.342 -0.266 20 0 DBADRM C[C@H]1OC(=O)N[C@H]1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001590334318 1021467207 /nfs/dbraw/zinc/46/72/07/1021467207.db2.gz JVMAPKVTUMMNBW-HZGVNTEJSA-N -1 0 304.266 -0.226 20 0 DBADRM C/C=C(\C)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590346342 1021468875 /nfs/dbraw/zinc/46/88/75/1021468875.db2.gz DQGVPDQFJZBQND-XVNBXDOJSA-N -1 0 305.298 -0.789 20 0 DBADRM C[C@H]1SCC[C@@H]1Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001590339755 1021469363 /nfs/dbraw/zinc/46/93/63/1021469363.db2.gz XWWSPTCPLJWMDT-RQJHMYQMSA-N -1 0 323.382 -0.430 20 0 DBADRM C[C@H]1SCC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590339918 1021469855 /nfs/dbraw/zinc/46/98/55/1021469855.db2.gz ZOKDNQOQGPMZGD-PHDIDXHHSA-N -1 0 309.355 -0.028 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590336204 1021472017 /nfs/dbraw/zinc/47/20/17/1021472017.db2.gz XBFIYYNGRBOLPD-RMLUDKJBSA-N -1 0 319.321 -0.158 20 0 DBADRM CCC(=O)N1CCO[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590362747 1021478619 /nfs/dbraw/zinc/47/86/19/1021478619.db2.gz XSEKIFKAKKZFEN-VIFPVBQESA-N -1 0 318.341 -0.872 20 0 DBADRM CCC(=O)NC1CC(CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590374912 1021481292 /nfs/dbraw/zinc/48/12/92/1021481292.db2.gz DNVHVYPTUIMWFZ-UHFFFAOYSA-N -1 0 302.342 -0.205 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001590423067 1021487487 /nfs/dbraw/zinc/48/74/87/1021487487.db2.gz ZTIFWJKAHWGFLE-GFCCVEGCSA-N -1 0 307.368 -0.193 20 0 DBADRM CC[C@H](C)CONc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001590410458 1021487897 /nfs/dbraw/zinc/48/78/97/1021487897.db2.gz OIOLRTDYQZZMJE-ZETCQYMHSA-N -1 0 309.330 -0.346 20 0 DBADRM CC[C@@H](C)[C@H](NCCn1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC001590400828 1021488854 /nfs/dbraw/zinc/48/88/54/1021488854.db2.gz VBWOTQYSECUILD-BDAKNGLRSA-N -1 0 308.346 -0.365 20 0 DBADRM CC(C)(C)OCCS(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC001590388582 1021488961 /nfs/dbraw/zinc/48/89/61/1021488961.db2.gz GVSOEOLGPBTKQW-UHFFFAOYSA-N -1 0 308.400 -0.167 20 0 DBADRM CC[C@H](C)[C@H](O)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590400434 1021489954 /nfs/dbraw/zinc/48/99/54/1021489954.db2.gz QBMULCKTSJRNLK-DTWKUNHWSA-N -1 0 323.361 -0.836 20 0 DBADRM CC[C@@H](NC(=O)NCCn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001590456438 1021493757 /nfs/dbraw/zinc/49/37/57/1021493757.db2.gz FYMRFSXBXXRPGR-SECBINFHSA-N -1 0 305.346 -0.054 20 0 DBADRM CC(C)(C)[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(N)=O ZINC001590451453 1021498703 /nfs/dbraw/zinc/49/87/03/1021498703.db2.gz KYMZFEJKLGAOFE-SECBINFHSA-N -1 0 318.355 -0.854 20 0 DBADRM CC[C@@H](COC)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001590448789 1021502896 /nfs/dbraw/zinc/50/28/96/1021502896.db2.gz ODINMRXZQVWXMH-QMMMGPOBSA-N -1 0 312.355 -0.035 20 0 DBADRM CC[C@H]1[C@@H](C)CCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001590502938 1021504027 /nfs/dbraw/zinc/50/40/27/1021504027.db2.gz UHUIQWAYVZIMDE-IUCAKERBSA-N -1 0 319.369 -0.111 20 0 DBADRM CC[C@]1(O)CCCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001590499302 1021507549 /nfs/dbraw/zinc/50/75/49/1021507549.db2.gz DDMQRYGBFVPKFA-RNCFNFMXSA-N -1 0 320.357 -0.217 20 0 DBADRM CC[C@H](O)CCCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590476765 1021507791 /nfs/dbraw/zinc/50/77/91/1021507791.db2.gz ZTXGHNJWRIALSV-ZETCQYMHSA-N -1 0 309.330 -0.371 20 0 DBADRM CCC1(CC)CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001590494728 1021510314 /nfs/dbraw/zinc/51/03/14/1021510314.db2.gz WPEPFPYBELALSE-UHFFFAOYSA-N -1 0 319.369 -0.110 20 0 DBADRM CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])nn1 ZINC001590493779 1021512408 /nfs/dbraw/zinc/51/24/08/1021512408.db2.gz PARBXBGRIHVCKO-MRVPVSSYSA-N -1 0 324.337 -0.336 20 0 DBADRM CC[C@H]1COCCN1C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590526719 1021518834 /nfs/dbraw/zinc/51/88/34/1021518834.db2.gz RZILSNDEDDKOEN-BDAKNGLRSA-N -1 0 306.330 -0.343 20 0 DBADRM CCCCS(=O)(=O)C=C([O-])n1ncc(-c2nn[nH]n2)c1N ZINC001590611833 1021523074 /nfs/dbraw/zinc/52/30/74/1021523074.db2.gz QRFIHMHHUNCSLK-UHFFFAOYSA-N -1 0 313.343 -0.500 20 0 DBADRM CCCCNC(=O)NC(=O)Cn1ccc(-c2nnn[n-]2)cc1=O ZINC001590604710 1021523424 /nfs/dbraw/zinc/52/34/24/1021523424.db2.gz SSUAABXJHJFIOV-UHFFFAOYSA-N -1 0 319.325 -0.346 20 0 DBADRM CC(C)(C)n1nnc(C(=O)NCCC(=O)NCCC(=O)[O-])n1 ZINC001590610055 1021527130 /nfs/dbraw/zinc/52/71/30/1021527130.db2.gz YZNRZEHHRWNDEH-UHFFFAOYSA-N -1 0 312.330 -0.861 20 0 DBADRM CCCN1CC(=O)N(CCn2cnc(-c3nnn[n-]3)n2)C1=O ZINC001590633137 1021527757 /nfs/dbraw/zinc/52/77/57/1021527757.db2.gz ZDJBOBVBRVKNQH-UHFFFAOYSA-N -1 0 305.302 -0.868 20 0 DBADRM CC(C)(CCCO)CNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001590664727 1021535161 /nfs/dbraw/zinc/53/51/61/1021535161.db2.gz JWVJPONPTDNLBP-MGCOHNPYSA-N -1 0 300.355 -0.119 20 0 DBADRM CCN(C)C(=O)Cn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O ZINC001590677080 1021537270 /nfs/dbraw/zinc/53/72/70/1021537270.db2.gz VSDDPMBRRIIUOH-UHFFFAOYSA-N -1 0 320.309 -0.707 20 0 DBADRM CC(C)(CCNCc1cn(CC(=O)[O-])nn1)S(C)(=O)=O ZINC001590689816 1021539469 /nfs/dbraw/zinc/53/94/69/1021539469.db2.gz SKCKURDGDKDYJO-UHFFFAOYSA-N -1 0 304.372 -0.334 20 0 DBADRM CC(C)(CCO)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001590693458 1021544188 /nfs/dbraw/zinc/54/41/88/1021544188.db2.gz KVEORYWMHVRBSG-SNVBAGLBSA-N -1 0 300.355 -0.166 20 0 DBADRM CCN(C[C@@H]1CCOC1)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590690944 1021545063 /nfs/dbraw/zinc/54/50/63/1021545063.db2.gz MXQXVDLFENTHCC-ZJUUUORDSA-N -1 0 320.357 -0.096 20 0 DBADRM CC(C)(CNC(=O)Cn1cc(C(=O)[O-])cn1)N1CCOCC1 ZINC001590713411 1021548923 /nfs/dbraw/zinc/54/89/23/1021548923.db2.gz BWTYVUZHWPZGIY-UHFFFAOYSA-N -1 0 310.354 -0.192 20 0 DBADRM CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001590702887 1021549530 /nfs/dbraw/zinc/54/95/30/1021549530.db2.gz PFCOMEPYJVEDQM-LBPRGKRZSA-N -1 0 324.381 -0.120 20 0 DBADRM CC(C)(CNC(=O)Cn1ccc(C(=O)[O-])n1)N1CCOCC1 ZINC001590713414 1021550575 /nfs/dbraw/zinc/55/05/75/1021550575.db2.gz CHVXQHWWERVYQE-UHFFFAOYSA-N -1 0 310.354 -0.192 20 0 DBADRM CC(C)(CNC(=O)C(=O)N1CCC(CO)CC1)CC(=O)[O-] ZINC001590702362 1021551934 /nfs/dbraw/zinc/55/19/34/1021551934.db2.gz IILPSJJYCXWCMU-UHFFFAOYSA-N -1 0 300.355 -0.166 20 0 DBADRM CCN(CCOC)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001590715593 1021552695 /nfs/dbraw/zinc/55/26/95/1021552695.db2.gz KQRHIZYCZYLQTN-UHFFFAOYSA-N -1 0 312.355 -0.081 20 0 DBADRM CC(C)(CNC(=O)N1CCO[C@H](CC(N)=O)C1)CC(=O)[O-] ZINC001590718359 1021557378 /nfs/dbraw/zinc/55/73/78/1021557378.db2.gz VPTAXYNTTFRLAV-SECBINFHSA-N -1 0 301.343 -0.227 20 0 DBADRM CCNC(=O)Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCCC2=O ZINC001590742286 1021560400 /nfs/dbraw/zinc/56/04/00/1021560400.db2.gz IUNWWFAVQKJJFR-UHFFFAOYSA-N -1 0 316.321 -0.317 20 0 DBADRM CCOC(=O)[C@@H](C)COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590750692 1021567960 /nfs/dbraw/zinc/56/79/60/1021567960.db2.gz LSQJIXFKYHMKET-YUMQZZPRSA-N -1 0 323.313 -0.238 20 0 DBADRM CCO[C@H](C)C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001590781742 1021574622 /nfs/dbraw/zinc/57/46/22/1021574622.db2.gz WITDGDYGXWDLNF-MRVPVSSYSA-N -1 0 306.330 -0.968 20 0 DBADRM CCOC(=O)c1noc(Cn2cc(-c3nnn[n-]3)ccc2=O)n1 ZINC001590777320 1021576172 /nfs/dbraw/zinc/57/61/72/1021576172.db2.gz JLTMDIFQTYYKTG-UHFFFAOYSA-N -1 0 317.265 -0.364 20 0 DBADRM CCOC(=O)CN(C)C(=O)Cn1ccc(-c2nnn[n-]2)cc1=O ZINC001590764495 1021577191 /nfs/dbraw/zinc/57/71/91/1021577191.db2.gz FAQHOVSNLFBLNF-UHFFFAOYSA-N -1 0 320.309 -0.950 20 0 DBADRM CCOC(=O)c1c(C)onc1Cn1cnc(-c2nnn[n-]2)n1 ZINC001590773263 1021578345 /nfs/dbraw/zinc/57/83/45/1021578345.db2.gz SPZWARIPWVJLDW-UHFFFAOYSA-N -1 0 304.270 -0.020 20 0 DBADRM CCOC(=O)c1c(C)onc1Cn1cc(-c2nnn[n-]2)nn1 ZINC001590771873 1021579216 /nfs/dbraw/zinc/57/92/16/1021579216.db2.gz FNRXHYCDNNSSAK-UHFFFAOYSA-N -1 0 304.270 -0.020 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCN([C@H]2CCOC2)CC1)C(=O)[O-] ZINC001590798563 1021582388 /nfs/dbraw/zinc/58/23/88/1021582388.db2.gz YBHIJDJGLUDBGZ-NSHDSACASA-N -1 0 320.411 -0.167 20 0 DBADRM CCOC(OCC)[C@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590784860 1021583119 /nfs/dbraw/zinc/58/31/19/1021583119.db2.gz FVQKEGSOKOQUJS-QMMMGPOBSA-N -1 0 324.345 -0.638 20 0 DBADRM CC(C)(CS(=O)(=O)NCCN1CCCOCC1)C(=O)[O-] ZINC001590802527 1021586467 /nfs/dbraw/zinc/58/64/67/1021586467.db2.gz BEAKNLDQDHLLRZ-UHFFFAOYSA-N -1 0 308.400 -0.261 20 0 DBADRM CC(C)(CS(=O)(=O)NC[C@@H]1CN(C2CC2)C(=O)O1)C(=O)[O-] ZINC001590802987 1021586973 /nfs/dbraw/zinc/58/69/73/1021586973.db2.gz GTXIRDHBYKBBTH-SECBINFHSA-N -1 0 320.367 0.000 20 0 DBADRM CC(C)(CS(=O)(=O)NCCN=S(C)(C)=O)C(=O)[O-] ZINC001590803310 1021588041 /nfs/dbraw/zinc/58/80/41/1021588041.db2.gz KHMIHNQMCLCKOF-UHFFFAOYSA-N -1 0 300.402 -0.256 20 0 DBADRM CC(C)(CS(=O)(=O)NC[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001590802580 1021589085 /nfs/dbraw/zinc/58/90/85/1021589085.db2.gz DLUQTBIICGKHBD-QMMMGPOBSA-N -1 0 313.397 -0.549 20 0 DBADRM CCOCCOCCN(C)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001590814441 1021590308 /nfs/dbraw/zinc/59/03/08/1021590308.db2.gz ZTBGBRCLUAUVMG-UHFFFAOYSA-N -1 0 322.369 -0.029 20 0 DBADRM CCOCCC(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001590804040 1021590587 /nfs/dbraw/zinc/59/05/87/1021590587.db2.gz OYLAFVRFGFQSDZ-UHFFFAOYSA-N -1 0 306.330 -0.967 20 0 DBADRM CCO[C@H]1C[C@H](NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001590823617 1021596788 /nfs/dbraw/zinc/59/67/88/1021596788.db2.gz YZAPOBKRVIAQJQ-CIUDSAMLSA-N -1 0 306.330 -0.297 20 0 DBADRM CC(C)(NC(=O)CN1CC(=O)NC1=O)c1nocc1C(=O)[O-] ZINC001590845030 1021596866 /nfs/dbraw/zinc/59/68/66/1021596866.db2.gz WUTQUJILQGACTB-UHFFFAOYSA-N -1 0 310.266 -0.724 20 0 DBADRM CCS(=O)(=O)[N-]c1nc2n(c1-c1nn[nH]n1)CCS2 ZINC001590847990 1021598650 /nfs/dbraw/zinc/59/86/50/1021598650.db2.gz DBJRWAPRFSFXJF-UHFFFAOYSA-N -1 0 301.357 -0.070 20 0 DBADRM CC(C)(NS(=O)(=O)c1ccc2c(c1)OCO2)[C@@H](O)C(=O)[O-] ZINC001590879710 1021600695 /nfs/dbraw/zinc/60/06/95/1021600695.db2.gz JEUGBIRCGGNDOY-JTQLQIEISA-N -1 0 317.319 -0.082 20 0 DBADRM CC[C@@H]1OCC[C@H]1NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590861671 1021602357 /nfs/dbraw/zinc/60/23/57/1021602357.db2.gz QROPSBUMGZTQEW-HLTSFMKQSA-N -1 0 306.330 -0.297 20 0 DBADRM CC(C)(O)CC(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001590894056 1021604711 /nfs/dbraw/zinc/60/47/11/1021604711.db2.gz YKNSFOCRQVAFLX-KYZUINATSA-N -1 0 308.338 -0.183 20 0 DBADRM CC(C)(O)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001590893083 1021605053 /nfs/dbraw/zinc/60/50/53/1021605053.db2.gz CWFUPVKDFJUKJG-ZRUFSTJUSA-N -1 0 312.366 -0.121 20 0 DBADRM CCc1nc(C)c(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)o1 ZINC001590911710 1021607806 /nfs/dbraw/zinc/60/78/06/1021607806.db2.gz OWLXDDXDNGBPPV-UHFFFAOYSA-N -1 0 317.313 -0.367 20 0 DBADRM CCc1nc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)co1 ZINC001590913296 1021609779 /nfs/dbraw/zinc/60/97/79/1021609779.db2.gz LDDJNYKGYFIHOX-UHFFFAOYSA-N -1 0 303.286 -0.675 20 0 DBADRM CCc1nn(C)cc1NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590929371 1021611116 /nfs/dbraw/zinc/61/11/16/1021611116.db2.gz LWOPKUXNKFYIRH-ZETCQYMHSA-N -1 0 316.329 -0.046 20 0 DBADRM CC(C)C(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)C1 ZINC001590931326 1021611305 /nfs/dbraw/zinc/61/13/05/1021611305.db2.gz FMMZDQHBPMORTR-CHWSQXEVSA-N -1 0 323.393 -0.282 20 0 DBADRM CC(C)=CCNC(=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001590920746 1021611900 /nfs/dbraw/zinc/61/19/00/1021611900.db2.gz FWTPHAZYGYGINO-JTQLQIEISA-N -1 0 321.337 -0.168 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001590938258 1021614085 /nfs/dbraw/zinc/61/40/85/1021614085.db2.gz ALCODWGJLRAGAJ-JTQLQIEISA-N -1 0 316.354 -0.883 20 0 DBADRM CCc1ocnc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590938765 1021614120 /nfs/dbraw/zinc/61/41/20/1021614120.db2.gz YNZZBCLNPSSBJY-UHFFFAOYSA-N -1 0 303.286 -0.561 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cncc(C)c2)c1=O ZINC001590949348 1021616335 /nfs/dbraw/zinc/61/63/35/1021616335.db2.gz DVKCNCYBEQXISR-UHFFFAOYSA-N -1 0 313.321 -0.038 20 0 DBADRM CCn1nc(C)c(C(=O)Cn2cnc(-c3nnn[n-]3)cc2=O)n1 ZINC001590963302 1021619680 /nfs/dbraw/zinc/61/96/80/1021619680.db2.gz FAQDSQISHDHSDR-UHFFFAOYSA-N -1 0 315.297 -0.774 20 0 DBADRM CC(C)[C@H](CCO)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001590980442 1021620375 /nfs/dbraw/zinc/62/03/75/1021620375.db2.gz DNPZSGANNURTHR-MNOVXSKESA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@H](C)C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001590966802 1021620671 /nfs/dbraw/zinc/62/06/71/1021620671.db2.gz GZQJXQRNNMQXFD-UWVGGRQHSA-N -1 0 310.354 -0.222 20 0 DBADRM CCn1nncc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590972482 1021622340 /nfs/dbraw/zinc/62/23/40/1021622340.db2.gz YIROMZBWMASIKD-UHFFFAOYSA-N -1 0 324.326 -0.450 20 0 DBADRM CN(C(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@H]1CCCOC1 ZINC001590985389 1021628102 /nfs/dbraw/zinc/62/81/02/1021628102.db2.gz MVFPVGILKSHUHD-VIFPVBQESA-N -1 0 321.345 -0.721 20 0 DBADRM CC(C)[C@@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001591024025 1021640400 /nfs/dbraw/zinc/64/04/00/1021640400.db2.gz GAQQFTBUYCXHMX-SECBINFHSA-N -1 0 301.324 -0.432 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCN(C(=O)C2CC2)CC1 ZINC001522418551 1021704699 /nfs/dbraw/zinc/70/46/99/1021704699.db2.gz RNXRCVZWBFBXPT-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)NCCNC(=O)c2ccccc2O)c1 ZINC001522520537 1021747267 /nfs/dbraw/zinc/74/72/67/1021747267.db2.gz FFFOEIQNKLTUPP-UHFFFAOYSA-N -1 0 316.317 -0.021 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)C[C@H]2CCCC(=O)N2)c1[O-] ZINC001522583538 1021801884 /nfs/dbraw/zinc/80/18/84/1021801884.db2.gz BNTGOWAIUACUKB-SECBINFHSA-N -1 0 323.353 -0.671 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)C[C@@H]2CCC(=O)NC2)c1[O-] ZINC001522590007 1021803538 /nfs/dbraw/zinc/80/35/38/1021803538.db2.gz HXQUBQQUVYAZAY-VIFPVBQESA-N -1 0 323.353 -0.814 20 0 DBADRM C[C@H](C(=O)NCCNC(=O)c1cnc([O-])n(C)c1=O)C1CCC1 ZINC001522717440 1021849116 /nfs/dbraw/zinc/84/91/16/1021849116.db2.gz FUVSGLOLIAZOOM-VIFPVBQESA-N -1 0 322.365 -0.232 20 0 DBADRM CC/C=C(/C)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001524212909 1022213086 /nfs/dbraw/zinc/21/30/86/1022213086.db2.gz NFCVPMCAXJXLIG-FWAPLPHYSA-N -1 0 323.353 -0.237 20 0 DBADRM O=C(N[C@@H](CNC(=O)C1CC1)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001524301678 1022233346 /nfs/dbraw/zinc/23/33/46/1022233346.db2.gz MBESLJVWXPVJLV-QMMMGPOBSA-N -1 0 307.310 -0.683 20 0 DBADRM CCCCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001526115779 1022438433 /nfs/dbraw/zinc/43/84/33/1022438433.db2.gz XDFSSDTWRGIZJN-MBTKJCJQSA-N -1 0 321.337 -0.340 20 0 DBADRM CC/C=C(/C)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001526426823 1022497289 /nfs/dbraw/zinc/49/72/89/1022497289.db2.gz UKZABLXAYSIFAN-TVSKSKRASA-N -1 0 309.326 -0.126 20 0 DBADRM C[C@@H](C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001526478789 1022509073 /nfs/dbraw/zinc/50/90/73/1022509073.db2.gz GVMMMQBKJYROJP-NKWVEPMBSA-N -1 0 309.326 -0.437 20 0 DBADRM C/C=C(/C)C(=O)NC[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001526486815 1022510369 /nfs/dbraw/zinc/51/03/69/1022510369.db2.gz DJFHIUPFMJJCKC-BZJXQOFCSA-N -1 0 308.338 -0.313 20 0 DBADRM C/C=C(\C)C(=O)NC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001526486816 1022511444 /nfs/dbraw/zinc/51/14/44/1022511444.db2.gz DJFHIUPFMJJCKC-QRJSTWQJSA-N -1 0 308.338 -0.313 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cccc(-n2cnnc2)c1 ZINC001558359973 1023958302 /nfs/dbraw/zinc/95/83/02/1023958302.db2.gz FVZUZTFKFRWDAH-UHFFFAOYSA-N -1 0 301.266 -0.091 20 0 DBADRM COC(=O)C1(S(=O)(=O)N[C@@H](C)C(=O)N(C)OC)CCC1 ZINC001561798806 1024015111 /nfs/dbraw/zinc/01/51/11/1024015111.db2.gz XXEANVYVSJFPGN-QMMMGPOBSA-N -1 0 308.356 -0.590 20 0 DBADRM O=C1CCC(=O)N1CCNS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001561264411 1024008249 /nfs/dbraw/zinc/00/82/49/1024008249.db2.gz WHHUTCQIOCVABE-UHFFFAOYSA-N -1 0 316.310 -0.041 20 0 DBADRM O=C1NC(=O)[C@@H]2CN(S(=O)(=O)c3cc([O-])cc(F)c3)C[C@H]12 ZINC001561584939 1024011757 /nfs/dbraw/zinc/01/17/57/1024011757.db2.gz SUYMZAOLMMFVJW-AOOOYVTPSA-N -1 0 314.294 -0.576 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)NCC=CCO ZINC001561738455 1024013142 /nfs/dbraw/zinc/01/31/42/1024013142.db2.gz LJJJQPSRCWAEGI-SNAWJCMRSA-N -1 0 303.340 -0.278 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)NCCCn1cccnc1=O ZINC001561703141 1024015691 /nfs/dbraw/zinc/01/56/91/1024015691.db2.gz SGPGMPKSNHBOCL-UHFFFAOYSA-N -1 0 313.339 -0.509 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCn1c2ccccc2oc1=O ZINC001563985575 1024030379 /nfs/dbraw/zinc/03/03/79/1024030379.db2.gz IAQWGNJLSCVISM-UHFFFAOYSA-N -1 0 308.294 -0.429 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC2(CC1)C[C@@H](O)CCO2 ZINC001565024343 1024046813 /nfs/dbraw/zinc/04/68/13/1024046813.db2.gz WJXURGIROLMFLH-NSHDSACASA-N -1 0 315.370 -0.230 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC2(CC1)C[C@H](O)CCO2 ZINC001565024342 1024047705 /nfs/dbraw/zinc/04/77/05/1024047705.db2.gz WJXURGIROLMFLH-LLVKDONJSA-N -1 0 315.370 -0.230 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ccn(CCn2cccn2)n1 ZINC001566245159 1024152450 /nfs/dbraw/zinc/15/24/50/1024152450.db2.gz YGKVQWJNHAHARM-UHFFFAOYSA-N -1 0 302.298 -0.467 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCN(C)Cc2cnn(C)n2)c1[O-] ZINC001566445280 1024167644 /nfs/dbraw/zinc/16/76/44/1024167644.db2.gz WDSFEUOAKMPBPN-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM CN(CCCNC(=O)C[C@@H]1CCN(C)C1=O)Cc1n[nH]c(=O)[n-]1 ZINC001566463996 1024190109 /nfs/dbraw/zinc/19/01/09/1024190109.db2.gz SEIUMPWRQKVZDA-JTQLQIEISA-N -1 0 324.385 -0.683 20 0 DBADRM CN(CCCNC(=O)CCc1ncccn1)Cc1n[nH]c(=O)[n-]1 ZINC001566502446 1024219361 /nfs/dbraw/zinc/21/93/61/1024219361.db2.gz MQJZLSHYSXYKHF-UHFFFAOYSA-N -1 0 319.369 -0.129 20 0 DBADRM CN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1nccn1C ZINC001566512009 1024223325 /nfs/dbraw/zinc/22/33/25/1024223325.db2.gz BFHUENPAKQJXDF-UHFFFAOYSA-N -1 0 323.357 -0.939 20 0 DBADRM CCNC(=O)CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001566619900 1024288805 /nfs/dbraw/zinc/28/88/05/1024288805.db2.gz AALJSPFMYPUFHV-SECBINFHSA-N -1 0 310.358 -0.883 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@@H]2CCCN2C=O)ccc1[O-] ZINC001567089470 1024514951 /nfs/dbraw/zinc/51/49/51/1024514951.db2.gz HOFTXEKWSBHZEF-VIFPVBQESA-N -1 0 313.335 -0.401 20 0 DBADRM Cc1nnc(CCNC(=O)c2c[n-]n3c2nccc3=O)n1C ZINC001567762363 1024818417 /nfs/dbraw/zinc/81/84/17/1024818417.db2.gz PCWCXIITCJBTRN-UHFFFAOYSA-N -1 0 301.310 -0.568 20 0 DBADRM CCn1cc(CC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cn1 ZINC001568948234 1025092719 /nfs/dbraw/zinc/09/27/19/1025092719.db2.gz ZQWSQSNVQXWQIX-ONEGZZNKSA-N -1 0 319.369 -0.269 20 0 DBADRM CN(C(=O)CCCCC(N)=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001569504142 1025264265 /nfs/dbraw/zinc/26/42/65/1025264265.db2.gz JPACCIWDNPKBMG-UHFFFAOYSA-N -1 0 310.358 -0.801 20 0 DBADRM CC(=O)NC(=Cc1cccs1)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC001569827149 1025369923 /nfs/dbraw/zinc/36/99/23/1025369923.db2.gz CALYREJDELXJRX-VMPITWQZSA-N -1 0 309.307 -0.002 20 0 DBADRM CC[C@@](COC)(NC(=O)COCc1nncn1C)C(=O)[O-] ZINC001571072004 1025808189 /nfs/dbraw/zinc/80/81/89/1025808189.db2.gz HHTPJKKLELVTEQ-LBPRGKRZSA-N -1 0 300.315 -0.672 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCC3(C2)OCCO3)CCO1 ZINC001571069456 1025808289 /nfs/dbraw/zinc/80/82/89/1025808289.db2.gz KWCHSFSRGFOXJP-UWVGGRQHSA-N -1 0 300.311 -0.223 20 0 DBADRM COCc1cc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])no1 ZINC001571069508 1025809908 /nfs/dbraw/zinc/80/99/08/1025809908.db2.gz MSWYDQOGRMXEMU-SECBINFHSA-N -1 0 300.267 -0.233 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCCn2cnccc2=O)CCC1 ZINC001571074970 1025811039 /nfs/dbraw/zinc/81/10/39/1025811039.db2.gz QZLNMJSGXATMEX-UHFFFAOYSA-N -1 0 301.324 -0.830 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@H](CO)[C@@H](CCO)C2)O[C@H]1C(=O)[O-] ZINC001571074039 1025811555 /nfs/dbraw/zinc/81/15/55/1025811555.db2.gz FGQLAMOYYQRNOH-IYKVGLELSA-N -1 0 301.339 -0.686 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CC(=O)Nc3cnccc32)c1 ZINC001571074395 1025811667 /nfs/dbraw/zinc/81/16/67/1025811667.db2.gz JEZVJFKEBMAROQ-UHFFFAOYSA-N -1 0 301.262 -0.038 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@](C)(CO)C1CC1)C(=O)[O-] ZINC001571074451 1025811792 /nfs/dbraw/zinc/81/17/92/1025811792.db2.gz LCCNTWABRQEXOQ-UVPNAGLESA-N -1 0 301.343 -0.576 20 0 DBADRM Cn1nc(NC(=O)N2CC(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC001571076393 1025813006 /nfs/dbraw/zinc/81/30/06/1025813006.db2.gz BIJFUXLQHMQJIN-UHFFFAOYSA-N -1 0 302.312 -0.621 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)c2ccnc3c2CC(=O)N3)n[nH]1 ZINC001571075207 1025813179 /nfs/dbraw/zinc/81/31/79/1025813179.db2.gz XYXWDSYDMLLVEW-UHFFFAOYSA-N -1 0 302.250 -0.426 20 0 DBADRM O=C([O-])C1(NC(=O)c2cnc3nccnc3c2)CC(CO)C1 ZINC001571077169 1025813330 /nfs/dbraw/zinc/81/33/30/1025813330.db2.gz UENGXKAIVSKFFP-UHFFFAOYSA-N -1 0 302.290 -0.020 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CC[C@@](F)(C(=O)[O-])C2)C[C@H]1C ZINC001571080333 1025814168 /nfs/dbraw/zinc/81/41/68/1025814168.db2.gz QFKDBQPNBPPBAF-LHGDZMGGSA-N -1 0 303.286 -0.022 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001571080312 1025814269 /nfs/dbraw/zinc/81/42/69/1025814269.db2.gz PZSRPLTYDVKDFP-UHFFFAOYSA-N -1 0 303.340 -0.057 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(Cc2oncc2C(=O)[O-])C1 ZINC001571079307 1025814301 /nfs/dbraw/zinc/81/43/01/1025814301.db2.gz DGBUGBIYLJHREA-MRVPVSSYSA-N -1 0 303.340 -0.256 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CC[C@@H](C(=O)OC)O1 ZINC001571079427 1025814560 /nfs/dbraw/zinc/81/45/60/1025814560.db2.gz DUYOSOZQGJNOLL-ZDMBXUJBSA-N -1 0 303.311 -0.297 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001571080382 1025814776 /nfs/dbraw/zinc/81/47/76/1025814776.db2.gz WAOAUGWNVJZLPT-AEJSXWLSSA-N -1 0 302.352 -0.468 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CC[C@](F)(C(=O)[O-])C2)C[C@H]1C ZINC001571080335 1025815137 /nfs/dbraw/zinc/81/51/37/1025815137.db2.gz QFKDBQPNBPPBAF-WBPNIITGSA-N -1 0 303.286 -0.022 20 0 DBADRM COC(=O)CC[C@@H]1CC[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])O1 ZINC001571079844 1025815166 /nfs/dbraw/zinc/81/51/66/1025815166.db2.gz JXJPBZDKQBANQQ-RWEMILLDSA-N -1 0 303.311 -0.561 20 0 DBADRM O=C([O-])c1coc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)c1 ZINC001571079320 1025815461 /nfs/dbraw/zinc/81/54/61/1025815461.db2.gz DKPPJDQZRTZDNI-LLVKDONJSA-N -1 0 303.292 -0.743 20 0 DBADRM CC[C@](COC)(NC(=O)CC1SC(=N)NC1=O)C(=O)[O-] ZINC001571080151 1025815764 /nfs/dbraw/zinc/81/57/64/1025815764.db2.gz NAGDFNJSJDZCDJ-KSBSHMNSSA-N -1 0 303.340 -0.461 20 0 DBADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)Cn2nnc(N)n2)c1 ZINC001571084374 1025816207 /nfs/dbraw/zinc/81/62/07/1025816207.db2.gz BEWDBLBFANDDMT-SNVBAGLBSA-N -1 0 304.310 -0.104 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNS(=O)(=O)c1occc1C(=O)[O-] ZINC001571084255 1025816504 /nfs/dbraw/zinc/81/65/04/1025816504.db2.gz HLAVHCJDRYHOKT-HQJQHLMTSA-N -1 0 305.308 -0.204 20 0 DBADRM CCOC(=O)[C@](C)(O)CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001571080534 1025816671 /nfs/dbraw/zinc/81/66/71/1025816671.db2.gz SBESLJIKZCPKSX-WBPNIITGSA-N -1 0 303.311 -0.705 20 0 DBADRM COC[C@@]1(CO)CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1 ZINC001571080496 1025816770 /nfs/dbraw/zinc/81/67/70/1025816770.db2.gz XAPWXPPPLOVNFS-JSGCOSHPSA-N -1 0 302.371 -0.457 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001571084348 1025817055 /nfs/dbraw/zinc/81/70/55/1025817055.db2.gz AJCASKAPAXYYAO-UHFFFAOYSA-N -1 0 304.299 -0.116 20 0 DBADRM CC1(NC(=O)c2ccc(-n3cnnn3)cn2)CN(C(=O)[O-])C1 ZINC001571080613 1025817670 /nfs/dbraw/zinc/81/76/70/1025817670.db2.gz UAJGYXBSAHHOKP-UHFFFAOYSA-N -1 0 303.282 -0.461 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H]2C[C@@H](O)C2(C)C)c1C(=O)[O-] ZINC001571080590 1025817772 /nfs/dbraw/zinc/81/77/72/1025817772.db2.gz SRBKDFRHUUTWHE-NKWVEPMBSA-N -1 0 303.340 -0.146 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@@H]1CNC(=O)c2ccccc21 ZINC001571084652 1025818621 /nfs/dbraw/zinc/81/86/21/1025818621.db2.gz FAUPOEUTGGRFFB-UQHVFFSPSA-N -1 0 304.302 -0.392 20 0 DBADRM Cc1nocc1S(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001571085441 1025819039 /nfs/dbraw/zinc/81/90/39/1025819039.db2.gz PDTSTRDOPSSMNP-SNVBAGLBSA-N -1 0 304.324 -0.171 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001571085482 1025819649 /nfs/dbraw/zinc/81/96/49/1025819649.db2.gz PWMQFTARQPSXAY-GLEHDBDLSA-N -1 0 304.324 -0.227 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@H]3C[C@H]4CC(=O)[C@@H]3C4)C2)nn1 ZINC001571085591 1025819779 /nfs/dbraw/zinc/81/97/79/1025819779.db2.gz REZOIZZEIWRQEP-SFGNSQDASA-N -1 0 304.306 -0.025 20 0 DBADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Cn1nnc(N)n1)c1ccccc1 ZINC001571085801 1025820462 /nfs/dbraw/zinc/82/04/62/1025820462.db2.gz TYEUWYUYQMWXJC-KWQFWETISA-N -1 0 304.310 -0.167 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001571086330 1025820929 /nfs/dbraw/zinc/82/09/29/1025820929.db2.gz JSAADQONFSFLGH-LURJTMIESA-N -1 0 304.328 -0.327 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)Cn1ccc(=O)c2ccccc21 ZINC001571085988 1025821039 /nfs/dbraw/zinc/82/10/39/1025821039.db2.gz VDBXFKFBMFIPRA-ZDUSSCGKSA-N -1 0 304.302 -0.047 20 0 DBADRM CNC(=O)C1(NS(=O)(=O)CC2(C(=O)[O-])CC2)CCCC1 ZINC001571086452 1025821094 /nfs/dbraw/zinc/82/10/94/1025821094.db2.gz OIEZKFTZXUJBML-UHFFFAOYSA-N -1 0 304.368 -0.171 20 0 DBADRM C[C@H](CNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC001571086531 1025821209 /nfs/dbraw/zinc/82/12/09/1025821209.db2.gz RJEAMZWQMBRNMF-XBWDGYHZSA-N -1 0 304.368 -0.028 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NCC1CCS(=O)(=O)CC1 ZINC001571086907 1025821318 /nfs/dbraw/zinc/82/13/18/1025821318.db2.gz YJUHPRMREOSSEC-NXEZZACHSA-N -1 0 304.368 -0.169 20 0 DBADRM C[C@H]1CN(Cc2nnc3c(=O)n(C)ccn23)CC[C@H]1C(=O)[O-] ZINC001571087522 1025822636 /nfs/dbraw/zinc/82/26/36/1025822636.db2.gz CVHPULCURQKHSN-VHSXEESVSA-N -1 0 305.338 -0.029 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001571087583 1025822686 /nfs/dbraw/zinc/82/26/86/1025822686.db2.gz GERYLGXLBVOPCM-NXEZZACHSA-N -1 0 305.352 -0.895 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001571088346 1025822954 /nfs/dbraw/zinc/82/29/54/1025822954.db2.gz XAMUMGIWQMSPHU-IVZWLZJFSA-N -1 0 305.352 -0.752 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC001571087612 1025823764 /nfs/dbraw/zinc/82/37/64/1025823764.db2.gz HERHZEZIAIHBBU-BBBLOLIVSA-N -1 0 305.352 -0.426 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C)O[C@H]1C(=O)[O-] ZINC001571088102 1025823248 /nfs/dbraw/zinc/82/32/48/1025823248.db2.gz SDLYGJYAVXLPBD-ZYUZMQFOSA-N -1 0 305.352 -0.490 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)C[C@@H]1CCCS1(=O)=O ZINC001571088240 1025823546 /nfs/dbraw/zinc/82/35/46/1025823546.db2.gz VMSWERVUVXZRCV-NGZCFLSTSA-N -1 0 305.352 -0.610 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001571087478 1025823614 /nfs/dbraw/zinc/82/36/14/1025823614.db2.gz AWISOEOKSVAFLJ-PTRXPTGYSA-N -1 0 305.352 -0.583 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CS1(=O)=O ZINC001571087698 1025823655 /nfs/dbraw/zinc/82/36/55/1025823655.db2.gz KOVWMMZFEJKOGX-KYXWUPHJSA-N -1 0 305.352 -0.300 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)c2ccc3n[nH]c(=O)n3c2)CCOC1 ZINC001571091177 1025823667 /nfs/dbraw/zinc/82/36/67/1025823667.db2.gz AWUOQVDWMJBHJA-ZDUSSCGKSA-N -1 0 306.278 -0.344 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@H]1CCC2(COC2)O1 ZINC001571087657 1025823714 /nfs/dbraw/zinc/82/37/14/1025823714.db2.gz ITQWAOQWTHSQRI-ZJUUUORDSA-N -1 0 305.352 -0.882 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)CN1CCNC(=O)C1)c1ccncc1 ZINC001571092874 1025824096 /nfs/dbraw/zinc/82/40/96/1025824096.db2.gz XKGATSZVXVCOFK-LLVKDONJSA-N -1 0 306.322 -0.855 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)Nc2cnc3c(c2)CNC3=O)C1 ZINC001571092643 1025824367 /nfs/dbraw/zinc/82/43/67/1025824367.db2.gz WPZCSHWZPLESSZ-ZDUSSCGKSA-N -1 0 306.278 -0.622 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)n1 ZINC001571092355 1025824384 /nfs/dbraw/zinc/82/43/84/1025824384.db2.gz SBGCHQNUYOOALT-CWKFCGSDSA-N -1 0 306.326 -0.641 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1cnn2c1CCC2 ZINC001571092877 1025824531 /nfs/dbraw/zinc/82/45/31/1025824531.db2.gz XLKMHKBLLGJSQZ-LLVKDONJSA-N -1 0 306.322 -0.365 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001571092110 1025824541 /nfs/dbraw/zinc/82/45/41/1025824541.db2.gz OPDQQHVQDXEPIR-QCNRFFRDSA-N -1 0 306.322 -0.245 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001571092200 1025824638 /nfs/dbraw/zinc/82/46/38/1025824638.db2.gz PANGHXGSFJOPSU-UHFFFAOYSA-N -1 0 306.278 -0.547 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1occc1C(=O)[O-])C(N)=O ZINC001571092375 1025825144 /nfs/dbraw/zinc/82/51/44/1025825144.db2.gz SMIGOFOERFGQKC-ZETCQYMHSA-N -1 0 306.296 -0.854 20 0 DBADRM O=C([O-])C[C@H](NC(=O)CN1CCNC(=O)C1)c1ccncc1 ZINC001571092875 1025825364 /nfs/dbraw/zinc/82/53/64/1025825364.db2.gz XKGATSZVXVCOFK-NSHDSACASA-N -1 0 306.322 -0.855 20 0 DBADRM CN(CCc1ncon1)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001571092096 1025825643 /nfs/dbraw/zinc/82/56/43/1025825643.db2.gz OIXZYOORLIYPKX-UHFFFAOYSA-N -1 0 306.278 -0.369 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC001571096127 1025827407 /nfs/dbraw/zinc/82/74/07/1025827407.db2.gz JZQCLCDPVMSJOW-NSHDSACASA-N -1 0 307.306 -0.507 20 0 DBADRM C[C@H](C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[C@@H](C)S(C)(=O)=O ZINC001571095961 1025827442 /nfs/dbraw/zinc/82/74/42/1025827442.db2.gz FIBVKUPKDKBTHU-QEYWKRMJSA-N -1 0 307.368 -0.244 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)c1occc1C(=O)[O-])[C@@H](C)O ZINC001571096612 1025828426 /nfs/dbraw/zinc/82/84/26/1025828426.db2.gz PDCBAJANLCEITF-VDTYLAMSSA-N -1 0 307.280 -0.822 20 0 DBADRM COC(=O)[C@@](C)(CO)NS(=O)(=O)c1occc1C(=O)[O-] ZINC001571097201 1025829345 /nfs/dbraw/zinc/82/93/45/1025829345.db2.gz XHOKCOTZNQPZQQ-SNVBAGLBSA-N -1 0 307.280 -0.820 20 0 DBADRM NC(=O)N[C@@H](CO)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001571097088 1025829510 /nfs/dbraw/zinc/82/95/10/1025829510.db2.gz WCLFTPWAGQPMQA-NSHDSACASA-N -1 0 307.306 -0.701 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H](O)c2cccnc2)C[C@@H]1C(=O)[O-] ZINC001571098433 1025830108 /nfs/dbraw/zinc/83/01/08/1025830108.db2.gz SLVSWFSVXPCHSX-HBNTYKKESA-N -1 0 308.290 -0.553 20 0 DBADRM COC(=O)C1(NC(=O)c2ccnc(C(=O)[O-])c2)CC(CO)C1 ZINC001571098768 1025830252 /nfs/dbraw/zinc/83/02/52/1025830252.db2.gz YPJGAFFXEBHNNB-UHFFFAOYSA-N -1 0 308.290 -0.176 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)C(=O)[O-] ZINC001571097937 1025830379 /nfs/dbraw/zinc/83/03/79/1025830379.db2.gz HWEWGECCQLLDII-KBUNVGBDSA-N -1 0 308.290 -0.130 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1CCCN(C(=O)[O-])CC1 ZINC001571097403 1025830609 /nfs/dbraw/zinc/83/06/09/1025830609.db2.gz ZAVIKISZYQPQBG-UHFFFAOYSA-N -1 0 307.372 -0.520 20 0 DBADRM Cn1cc(CN2CCCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001571097375 1025830688 /nfs/dbraw/zinc/83/06/88/1025830688.db2.gz XOBDREPXYHFQFG-RYUDHWBXSA-N -1 0 307.354 -0.430 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NC[C@@H](O)C2CCOCC2)CCC1 ZINC001571097345 1025830737 /nfs/dbraw/zinc/83/07/37/1025830737.db2.gz WYYFUKOAWZHTRR-SNVBAGLBSA-N -1 0 307.368 -0.299 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)Cc2ccc(C(=O)[O-])nc2)C1 ZINC001571097938 1025830873 /nfs/dbraw/zinc/83/08/73/1025830873.db2.gz IAHUUQFUOPLWKX-AWEZNQCLSA-N -1 0 308.290 -0.541 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)c2cnc(C(=O)[O-])cn2)CCO1 ZINC001571098171 1025831162 /nfs/dbraw/zinc/83/11/62/1025831162.db2.gz NSJIFGXQFFOJFQ-VIFPVBQESA-N -1 0 308.294 -0.848 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCC3(COC(=O)N3)CC2)n1 ZINC001571098552 1025831294 /nfs/dbraw/zinc/83/12/94/1025831294.db2.gz UVKORYQMNJBIIY-UHFFFAOYSA-N -1 0 308.294 -0.318 20 0 DBADRM O=C([O-])[C@H]1CCN1S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 ZINC001571100606 1025831757 /nfs/dbraw/zinc/83/17/57/1025831757.db2.gz MLYNBSQWEOOTFX-SNVBAGLBSA-N -1 0 309.303 -0.229 20 0 DBADRM COc1c(NC(=O)N2CC(O)(C(=O)[O-])C2)cccc1C(N)=O ZINC001571100269 1025832379 /nfs/dbraw/zinc/83/23/79/1025832379.db2.gz CJLATCYEYVQISP-UHFFFAOYSA-N -1 0 309.278 -0.543 20 0 DBADRM COc1cnc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])c(F)c1 ZINC001571100299 1025832541 /nfs/dbraw/zinc/83/25/41/1025832541.db2.gz DPLFJLCIBOPBHJ-VIFPVBQESA-N -1 0 309.257 -0.296 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)N[C@H]3CCOC3=O)C2)nn1 ZINC001571101361 1025832702 /nfs/dbraw/zinc/83/27/02/1025832702.db2.gz ZWCJCCALVLSXDD-SFYZADRCSA-N -1 0 309.282 -0.752 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1Cc2cncn2C1)C(=O)[O-] ZINC001571101362 1025833069 /nfs/dbraw/zinc/83/30/69/1025833069.db2.gz AGSCPBGVUPHGGA-XHNCKOQMSA-N -1 0 309.326 -0.915 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001571100886 1025833288 /nfs/dbraw/zinc/83/32/88/1025833288.db2.gz QUNUARMPVGUIGQ-ACLDMZEESA-N -1 0 309.282 -0.753 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)C2=CCOCC2)C1 ZINC001571103250 1025833879 /nfs/dbraw/zinc/83/38/79/1025833879.db2.gz UPLPLLCFVBLJTO-FIQHERPVSA-N -1 0 308.334 -0.183 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571103192 1025834009 /nfs/dbraw/zinc/83/40/09/1025834009.db2.gz YDWUGHGRUZTRTK-WCBMZHEXSA-N -1 0 309.340 -0.509 20 0 DBADRM O=C([O-])N1CCN(C(=O)N[C@@H]2CCc3nnnn3CC2)CC1 ZINC001571101982 1025834062 /nfs/dbraw/zinc/83/40/62/1025834062.db2.gz LCJIFICEUHRTAL-SECBINFHSA-N -1 0 309.330 -0.617 20 0 DBADRM CC(C)C(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001571102144 1025834160 /nfs/dbraw/zinc/83/41/60/1025834160.db2.gz KENBUBRFVLCRNQ-UWVGGRQHSA-N -1 0 308.338 -0.113 20 0 DBADRM Cc1cc(C)n(CC(=O)NC[C@]2(C(=O)[O-])CCOC2)c(=O)n1 ZINC001571103205 1025834279 /nfs/dbraw/zinc/83/42/79/1025834279.db2.gz YLZVYVCDSXKJFU-CQSZACIVSA-N -1 0 309.322 -0.532 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001571101913 1025834673 /nfs/dbraw/zinc/83/46/73/1025834673.db2.gz IMWGGHGWDOFKQT-DTWKUNHWSA-N -1 0 309.326 -0.195 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001571106131 1025835591 /nfs/dbraw/zinc/83/55/91/1025835591.db2.gz FKKVUDUMUNIGPD-KCJUWKMLSA-N -1 0 310.281 -0.260 20 0 DBADRM O=C([O-])N1CCN(C(=O)NCC2N=NC(=O)N2C2CC2)CC1 ZINC001571106453 1025836126 /nfs/dbraw/zinc/83/61/26/1025836126.db2.gz PRNOXCCLIOYIOI-UHFFFAOYSA-N -1 0 310.314 -0.176 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)CSc1nnc2ccccn21 ZINC001571106045 1025836307 /nfs/dbraw/zinc/83/63/07/1025836307.db2.gz GQCBINDMZDPRRR-QMMMGPOBSA-N -1 0 310.335 -0.227 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(CCCN2CCCC2=O)C1 ZINC001571106344 1025836386 /nfs/dbraw/zinc/83/63/86/1025836386.db2.gz KEWRFGJTMYIZQJ-NEPJUHHUSA-N -1 0 309.366 -0.480 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@@H](O)c1cncs1 ZINC001571106426 1025836600 /nfs/dbraw/zinc/83/66/00/1025836600.db2.gz LMHHMMQJOSFFMH-SSDOTTSWSA-N -1 0 309.369 -0.583 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c(C)n1NC(N)=O ZINC001571106648 1025836839 /nfs/dbraw/zinc/83/68/39/1025836839.db2.gz TZYUCUDOPHIGGR-VHSXEESVSA-N -1 0 310.310 -0.301 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2nnc(C)[nH]2)C[C@@H]1C(=O)[O-] ZINC001571110927 1025837466 /nfs/dbraw/zinc/83/74/66/1025837466.db2.gz AEIKOHAZCZDMEA-JGVFFNPUSA-N -1 0 311.298 -0.872 20 0 DBADRM NC(=O)N1CC[C@@H](CNC(=O)CCc2ocnc2C(=O)[O-])C1 ZINC001571107081 1025838232 /nfs/dbraw/zinc/83/82/32/1025838232.db2.gz YYZRDUJVZQXMRX-QMMMGPOBSA-N -1 0 310.310 -0.178 20 0 DBADRM COc1c(F)cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1F ZINC001571108196 1025838364 /nfs/dbraw/zinc/83/83/64/1025838364.db2.gz MJSQEMACVAHRQJ-QMMMGPOBSA-N -1 0 311.262 -0.303 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1COC[C@H]1O ZINC001571106682 1025838500 /nfs/dbraw/zinc/83/85/00/1025838500.db2.gz URLCIQHOSDXBGP-BCMRRPTOSA-N -1 0 310.310 -0.525 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CC2(C1)CNC(=O)O2 ZINC001571108521 1025838569 /nfs/dbraw/zinc/83/85/69/1025838569.db2.gz UZYLHQWBNXJSFB-UHFFFAOYSA-N -1 0 311.250 -0.790 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)COCc1ccncc1 ZINC001571106967 1025838613 /nfs/dbraw/zinc/83/86/13/1025838613.db2.gz XLQACWANFURATM-NSHDSACASA-N -1 0 310.306 -0.069 20 0 DBADRM NC(=O)c1coc(CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)n1 ZINC001571107744 1025838746 /nfs/dbraw/zinc/83/87/46/1025838746.db2.gz FYDRLPSOWKRKNC-IONNQARKSA-N -1 0 311.294 -0.198 20 0 DBADRM COCCn1nc(C)c(NC(=O)N2CC(O)(C(=O)[O-])C2)c1C ZINC001571111627 1025839979 /nfs/dbraw/zinc/83/99/79/1025839979.db2.gz CNRZGXIXAOORMZ-UHFFFAOYSA-N -1 0 312.326 -0.190 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001571111432 1025840457 /nfs/dbraw/zinc/84/04/57/1025840457.db2.gz KTPKONDPNHSEGI-UDZFHETQSA-N -1 0 311.338 -0.602 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(Cc2ncnn2CCF)C1 ZINC001571111202 1025840478 /nfs/dbraw/zinc/84/04/78/1025840478.db2.gz GRJCRDYRDDJCLB-UWVGGRQHSA-N -1 0 311.317 -0.731 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC001571111560 1025840594 /nfs/dbraw/zinc/84/05/94/1025840594.db2.gz AEEYPDBAAXRNBF-ZCFIWIBFSA-N -1 0 312.282 -0.231 20 0 DBADRM COC[C@@H](CNC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1)OC ZINC001571111947 1025840610 /nfs/dbraw/zinc/84/06/10/1025840610.db2.gz HZLDSTXPZYYULF-SECBINFHSA-N -1 0 312.326 -0.122 20 0 DBADRM CN(CC(=O)NCc1cn(C(C)(C)C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001571112529 1025840973 /nfs/dbraw/zinc/84/09/73/1025840973.db2.gz NKJIYLOKELXCOR-UHFFFAOYSA-N -1 0 312.326 -0.070 20 0 DBADRM CCn1[nH]c(C)nc1=NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001571112964 1025841795 /nfs/dbraw/zinc/84/17/95/1025841795.db2.gz UNDASQMWQFOSGZ-BQBZGAKWSA-N -1 0 312.330 -0.872 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001571115091 1025842104 /nfs/dbraw/zinc/84/21/04/1025842104.db2.gz FAYAPGZQTGPRBU-JGZJWPJOSA-N -1 0 312.370 -0.641 20 0 DBADRM Cc1cc(C2(C(=O)NCC[C@H](O)C(=O)[O-])CCOCC2)on1 ZINC001571112911 1025842148 /nfs/dbraw/zinc/84/21/48/1025842148.db2.gz TWPPPTFKTCWWHV-JTQLQIEISA-N -1 0 312.322 -0.017 20 0 DBADRM CNC(=O)Cc1noc(CN2C[C@H](OC)C[C@]2(C)C(=O)[O-])n1 ZINC001571113192 1025842338 /nfs/dbraw/zinc/84/23/38/1025842338.db2.gz XCLFGPZEWDGADU-AMIZOPFISA-N -1 0 312.326 -0.578 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001571115922 1025843037 /nfs/dbraw/zinc/84/30/37/1025843037.db2.gz RIIGOKSMTYMHHU-NDBYEHHHSA-N -1 0 312.366 -0.154 20 0 DBADRM CN(C)Cc1cc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])no1 ZINC001571118337 1025843090 /nfs/dbraw/zinc/84/30/90/1025843090.db2.gz DKFGPEKYEMTNMY-JTQLQIEISA-N -1 0 313.310 -0.318 20 0 DBADRM CC[C@@](COC)(NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)C(=O)[O-] ZINC001571118224 1025843278 /nfs/dbraw/zinc/84/32/78/1025843278.db2.gz AKIGILLCSJXEKI-ZDUSSCGKSA-N -1 0 313.310 -0.265 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@]12C[C@@H]1COC2(C)C)C(=O)[O-] ZINC001571116937 1025843983 /nfs/dbraw/zinc/84/39/83/1025843983.db2.gz PCCULTVLWARVST-GMAGZHIISA-N -1 0 313.354 -0.169 20 0 DBADRM CCOCn1nc(C)c(CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1C ZINC001571117075 1025844213 /nfs/dbraw/zinc/84/42/13/1025844213.db2.gz UVMWXWMLNLBAFA-MFKMUULPSA-N -1 0 313.354 -0.013 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001571118238 1025844422 /nfs/dbraw/zinc/84/44/22/1025844422.db2.gz BBRZFWHZJHFMDD-CPCISQLKSA-N -1 0 313.335 -0.304 20 0 DBADRM CC1SC(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])=NC1=O ZINC001571118557 1025844426 /nfs/dbraw/zinc/84/44/26/1025844426.db2.gz GZOXCERCCBBECC-SSDOTTSWSA-N -1 0 313.335 -0.037 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NCC[C@H]1CNC(=O)C1 ZINC001571118845 1025844470 /nfs/dbraw/zinc/84/44/70/1025844470.db2.gz JFHGRZKLJRDOMN-MRVPVSSYSA-N -1 0 313.335 -0.416 20 0 DBADRM CCN1C[C@@H](NS(=O)(=O)c2cccnc2C(=O)[O-])CC1=O ZINC001571119189 1025844923 /nfs/dbraw/zinc/84/49/23/1025844923.db2.gz XOGVKRRADGKUCI-QMMMGPOBSA-N -1 0 313.335 -0.321 20 0 DBADRM COCCn1ccc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])n1 ZINC001571119114 1025845460 /nfs/dbraw/zinc/84/54/60/1025845460.db2.gz VAIYYIDIJFZCKY-JTQLQIEISA-N -1 0 313.310 -0.525 20 0 DBADRM CCNC(=O)CCCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001571122132 1025845497 /nfs/dbraw/zinc/84/54/97/1025845497.db2.gz CUORGIOPWQGDIR-NXEZZACHSA-N -1 0 314.338 -0.375 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@@](C)(COC)CC(=O)[O-])nn1 ZINC001571123883 1025847038 /nfs/dbraw/zinc/84/70/38/1025847038.db2.gz VFJZOILUXGZPQO-TVQRCGJNSA-N -1 0 314.342 -0.341 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)O1 ZINC001571123028 1025847190 /nfs/dbraw/zinc/84/71/90/1025847190.db2.gz LHGOFENXQGUNNP-VLEAKVRGSA-N -1 0 314.338 -0.595 20 0 DBADRM CCNC(=O)CCCC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001571122136 1025847222 /nfs/dbraw/zinc/84/72/22/1025847222.db2.gz CUORGIOPWQGDIR-VHSXEESVSA-N -1 0 314.338 -0.375 20 0 DBADRM CCOC(=O)N1CCC[C@@H](C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)C1 ZINC001571123009 1025847296 /nfs/dbraw/zinc/84/72/96/1025847296.db2.gz KMRYUGVILIPVRZ-RULNRJAQSA-N -1 0 314.338 -0.051 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCCc1nccs1)C(=O)[O-] ZINC001571124119 1025847351 /nfs/dbraw/zinc/84/73/51/1025847351.db2.gz ZISXSCIWIMPRIN-YUMQZZPRSA-N -1 0 314.367 -0.037 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001571123265 1025847890 /nfs/dbraw/zinc/84/78/90/1025847890.db2.gz OYUVATKWGBFHJP-VIFPVBQESA-N -1 0 314.385 -0.740 20 0 DBADRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001571126527 1025849086 /nfs/dbraw/zinc/84/90/86/1025849086.db2.gz TYGBJXSTMIGCNH-IWSPIJDZSA-N -1 0 316.264 -0.092 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@@H](CO)CC1CCC1 ZINC001571126462 1025849453 /nfs/dbraw/zinc/84/94/53/1025849453.db2.gz RSDIWAIAQZEIKQ-LLVKDONJSA-N -1 0 315.370 -0.182 20 0 DBADRM CN1C[C@H](CCNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1=O ZINC001571125525 1025849581 /nfs/dbraw/zinc/84/95/81/1025849581.db2.gz JAEQFDVYDICJEO-MRVPVSSYSA-N -1 0 315.351 -0.140 20 0 DBADRM O=C([O-])N1CCC(NC(=O)N2C[C@H](CCO)[C@H](CO)C2)CC1 ZINC001571126564 1025849941 /nfs/dbraw/zinc/84/99/41/1025849941.db2.gz UNQLPKSCTOBRBX-QWRGUYRKSA-N -1 0 315.370 -0.239 20 0 DBADRM Cc1nc(SCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])n[nH]1 ZINC001571125365 1025849991 /nfs/dbraw/zinc/84/99/91/1025849991.db2.gz FKMNHPSNHPXGBL-WDSKDSINSA-N -1 0 315.355 -0.701 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(F)(F)F ZINC001571131000 1025850478 /nfs/dbraw/zinc/85/04/78/1025850478.db2.gz OOPFPXJDEVWIMB-ZETCQYMHSA-N -1 0 317.245 -0.301 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001571126810 1025850832 /nfs/dbraw/zinc/85/08/32/1025850832.db2.gz VQRARJUBIFIADN-UHFFFAOYSA-N -1 0 315.351 -0.276 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(C(=O)[O-])n3)C2)cn1 ZINC001571127945 1025850842 /nfs/dbraw/zinc/85/08/42/1025850842.db2.gz FGEWVUDZCQVJKU-AOOOYVTPSA-N -1 0 316.321 -0.297 20 0 DBADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)N[C@@H](C)CC(N)=O)c1 ZINC001571127937 1025851380 /nfs/dbraw/zinc/85/13/80/1025851380.db2.gz FCBGSNREMGRPRY-ZETCQYMHSA-N -1 0 316.335 -0.064 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCC[C@@H]2CCCS2(=O)=O)n1 ZINC001571126859 1025851764 /nfs/dbraw/zinc/85/17/64/1025851764.db2.gz XRJLSNTWZWGDQY-VIFPVBQESA-N -1 0 315.351 -0.335 20 0 DBADRM O=C([O-])c1nccc(N2CCN(C(=O)Cc3cnc[nH]3)CC2)n1 ZINC001571129103 1025851801 /nfs/dbraw/zinc/85/18/01/1025851801.db2.gz XTELCTWZNVKXLK-UHFFFAOYSA-N -1 0 316.321 -0.211 20 0 DBADRM CCN(CC(N)=O)S(=O)(=O)c1cc(OC)ccc1C(=O)[O-] ZINC001571129097 1025851813 /nfs/dbraw/zinc/85/18/13/1025851813.db2.gz XKDOBZYCMCMYSS-UHFFFAOYSA-N -1 0 316.335 -0.111 20 0 DBADRM COc1cncc(S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001571127992 1025852141 /nfs/dbraw/zinc/85/21/41/1025852141.db2.gz HFEWQKYATGJZBF-LDYMZIIASA-N -1 0 316.335 -0.142 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCC[C@]1(O)CCCOC1 ZINC001571131445 1025852699 /nfs/dbraw/zinc/85/26/99/1025852699.db2.gz GZOYZLMCDSYBKJ-JTNHKYCSSA-N -1 0 316.354 -0.293 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2(OCCO)CCOCC2)O1 ZINC001571132774 1025852853 /nfs/dbraw/zinc/85/28/53/1025852853.db2.gz FWOUDWVBWXRYCM-MNOVXSKESA-N -1 0 317.338 -0.707 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])[C@H]1OC ZINC001571131489 1025852965 /nfs/dbraw/zinc/85/29/65/1025852965.db2.gz IGHQFXMIQYHSFI-IYKVGLELSA-N -1 0 316.354 -0.032 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H](C(N)=O)C1 ZINC001571131623 1025853352 /nfs/dbraw/zinc/85/33/52/1025853352.db2.gz NGBIOOGBYZTCFR-XPUUQOCRSA-N -1 0 316.339 -0.618 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571131691 1025853393 /nfs/dbraw/zinc/85/33/93/1025853393.db2.gz PTIRTNZMTYBUFJ-DDHJBXDOSA-N -1 0 316.354 -0.079 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)[C@H](C(N)=O)C1 ZINC001571131527 1025853560 /nfs/dbraw/zinc/85/35/60/1025853560.db2.gz JKKRCGJOKPIASF-SVRRBLITSA-N -1 0 316.339 -0.618 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NC[C@@H](O)CC(=O)[O-])C1 ZINC001571131466 1025854023 /nfs/dbraw/zinc/85/40/23/1025854023.db2.gz HOKQZLRTIRCIPM-VHSXEESVSA-N -1 0 316.354 -0.788 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001571133106 1025854726 /nfs/dbraw/zinc/85/47/26/1025854726.db2.gz KKTUYVVRIVDHBS-HBNTYKKESA-N -1 0 317.338 -0.097 20 0 DBADRM O=C([O-])c1cnc(N2CCC[C@H](NC(=O)c3nnc[nH]3)C2)nc1 ZINC001571133504 1025854779 /nfs/dbraw/zinc/85/47/79/1025854779.db2.gz QQEKJHUESLLJTK-VIFPVBQESA-N -1 0 317.309 -0.308 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)C1 ZINC001571132986 1025854898 /nfs/dbraw/zinc/85/48/98/1025854898.db2.gz DWKUARBINYGEAD-UTLUCORTSA-N -1 0 317.367 -0.721 20 0 DBADRM CC[C@@](COC)(NCC(=O)NCC(=O)NC(C)(C)C)C(=O)[O-] ZINC001571132983 1025855307 /nfs/dbraw/zinc/85/53/07/1025855307.db2.gz DUFUNWRQEYCHAU-AWEZNQCLSA-N -1 0 317.386 -0.513 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCO[C@@H]2COCC[C@@H]21 ZINC001571133111 1025854993 /nfs/dbraw/zinc/85/49/93/1025854993.db2.gz KLEXJWJTQLXNCE-DTWKUNHWSA-N -1 0 317.323 -0.714 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)NC1CN(c2ccncn2)C1 ZINC001571132957 1025855188 /nfs/dbraw/zinc/85/51/88/1025855188.db2.gz IMSORUCOLUQKJA-UHFFFAOYSA-N -1 0 317.309 -0.081 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](CNC(=O)c3cn[nH]n3)C2)n1 ZINC001571132955 1025855237 /nfs/dbraw/zinc/85/52/37/1025855237.db2.gz IHLPKCOAHKOPSQ-MRVPVSSYSA-N -1 0 317.309 -0.451 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C1=CS(=O)(=O)CCC1)[C@H]1CCOC1 ZINC001571133429 1025855280 /nfs/dbraw/zinc/85/52/80/1025855280.db2.gz NMOQQNDNWLBRHR-GXSJLCMTSA-N -1 0 317.363 -0.068 20 0 DBADRM CS(=O)(=O)CC1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)COC1 ZINC001571133031 1025855828 /nfs/dbraw/zinc/85/58/28/1025855828.db2.gz GKFGXRLZGGTUBN-RGOKHQFPSA-N -1 0 317.363 -0.727 20 0 DBADRM CCOC(=O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C1CC1 ZINC001571133345 1025855864 /nfs/dbraw/zinc/85/58/64/1025855864.db2.gz ONJKGVCHCBCBQR-SECBINFHSA-N -1 0 317.323 -0.272 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)cn1 ZINC001571137673 1025856444 /nfs/dbraw/zinc/85/64/44/1025856444.db2.gz JPGMFYBWIYIONM-CQSZACIVSA-N -1 0 318.289 -0.374 20 0 DBADRM O=C([O-])[C@@H](F)CNS(=O)(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001571137244 1025856620 /nfs/dbraw/zinc/85/66/20/1025856620.db2.gz AADWJCBSTIBVJA-ZETCQYMHSA-N -1 0 318.282 -0.282 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2C[C@H](NC(=O)Cc3ccon3)C2)n1 ZINC001571133728 1025857129 /nfs/dbraw/zinc/85/71/29/1025857129.db2.gz WOPNEYJVOCPJRJ-AOOOYVTPSA-N -1 0 317.305 -0.114 20 0 DBADRM C[C@H]1CCN(CC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)C1 ZINC001571137183 1025857141 /nfs/dbraw/zinc/85/71/41/1025857141.db2.gz ADFTZAOFQSJZLL-OUJBWJOFSA-N -1 0 318.395 -0.668 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C[C@@H]1CCOC[C@H]1OC ZINC001571133858 1025857305 /nfs/dbraw/zinc/85/73/05/1025857305.db2.gz YJFJRBUOJJSQEX-HBNTYKKESA-N -1 0 317.338 -0.049 20 0 DBADRM CN(CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC001571138143 1025857922 /nfs/dbraw/zinc/85/79/22/1025857922.db2.gz TUKYSTCGSMZYSE-ZWNOBZJWSA-N -1 0 318.395 -0.019 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4C(=O)[O-])C[C@H]32)n1 ZINC001571140090 1025858332 /nfs/dbraw/zinc/85/83/32/1025858332.db2.gz PHOULEUTSIGGEN-APLZJWDSSA-N -1 0 318.333 -0.375 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCc2nncn2CC1 ZINC001571140865 1025859368 /nfs/dbraw/zinc/85/93/68/1025859368.db2.gz TWBAIZINGQUKHI-GHMZBOCLSA-N -1 0 318.337 -0.303 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCc2nncn2CC1 ZINC001571140871 1025859496 /nfs/dbraw/zinc/85/94/96/1025859496.db2.gz TWBAIZINGQUKHI-WDEREUQCSA-N -1 0 318.337 -0.303 20 0 DBADRM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N[C@H](Cn2cncn2)C(=O)[O-])C1 ZINC001571138938 1025859868 /nfs/dbraw/zinc/85/98/68/1025859868.db2.gz HRNZDIMMRATZTB-DVVUODLYSA-N -1 0 318.337 -0.063 20 0 DBADRM Cc1nccc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001571139775 1025859899 /nfs/dbraw/zinc/85/98/99/1025859899.db2.gz MHYSVYVSOSIZQK-WDEREUQCSA-N -1 0 318.333 -0.210 20 0 DBADRM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)[C@H]1OC ZINC001571143064 1025860331 /nfs/dbraw/zinc/86/03/31/1025860331.db2.gz KAPCIJCILHKGSG-GTNGPMTGSA-N -1 0 319.339 -0.421 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1cncc(N2CCCC2=O)c1 ZINC001571142956 1025860744 /nfs/dbraw/zinc/86/07/44/1025860744.db2.gz FIMBIRDZFBHOCZ-VXGBXAGGSA-N -1 0 319.317 -0.132 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2cnccn2)CC1 ZINC001571141584 1025861122 /nfs/dbraw/zinc/86/11/22/1025861122.db2.gz YZFXITFMEYGFKU-MNOVXSKESA-N -1 0 318.333 -0.082 20 0 DBADRM Cc1conc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001571143015 1025861163 /nfs/dbraw/zinc/86/11/63/1025861163.db2.gz HWEMOKWLTHEVJP-KUNJHIDRSA-N -1 0 319.317 -0.110 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccn1)C(=O)NCCF ZINC001571142223 1025861249 /nfs/dbraw/zinc/86/12/49/1025861249.db2.gz ZAFPVPQHTACXGZ-SSDOTTSWSA-N -1 0 319.314 -0.468 20 0 DBADRM Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001571140934 1025861335 /nfs/dbraw/zinc/86/13/35/1025861335.db2.gz VRLYYENWHFCQOB-LMLFDSFASA-N -1 0 318.333 -0.117 20 0 DBADRM Cn1c(=O)oc2ccc(CN3CC(=O)N(C)C[C@@H]3C(=O)[O-])cc21 ZINC001571141421 1025861700 /nfs/dbraw/zinc/86/17/00/1025861700.db2.gz OUOUISIPRUIPNB-LLVKDONJSA-N -1 0 319.317 -0.141 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC001571154482 1025874372 /nfs/dbraw/zinc/87/43/72/1025874372.db2.gz MMWPJCXYADQJHK-MRVPVSSYSA-N -1 0 321.380 -0.806 20 0 DBADRM C[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C1(S(C)(=O)=O)CC1 ZINC001571144096 1025862324 /nfs/dbraw/zinc/86/23/24/1025862324.db2.gz FFKXBTKPFNFMBP-UTINFBMNSA-N -1 0 319.379 -0.054 20 0 DBADRM O=C([O-])[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)c1ccccc1 ZINC001571143211 1025862353 /nfs/dbraw/zinc/86/23/53/1025862353.db2.gz OJPDXORQUVVENS-CYBMUJFWSA-N -1 0 319.317 -0.101 20 0 DBADRM CO[C@H]1COCC[C@H]1N(C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571143098 1025862574 /nfs/dbraw/zinc/86/25/74/1025862574.db2.gz LHTVYABDEVKMCR-BDAKNGLRSA-N -1 0 319.339 -0.468 20 0 DBADRM COc1ccc([C@@H](NCc2cn(CC(N)=O)nn2)C(=O)[O-])cc1 ZINC001571143371 1025862664 /nfs/dbraw/zinc/86/26/64/1025862664.db2.gz VKYAPLYKPJSCQX-CYBMUJFWSA-N -1 0 319.321 -0.313 20 0 DBADRM CN(C)C(=O)NCCN(C)S(=O)(=O)c1occc1C(=O)[O-] ZINC001571143249 1025862798 /nfs/dbraw/zinc/86/27/98/1025862798.db2.gz PSPUAKHSGFLJIM-UHFFFAOYSA-N -1 0 319.339 -0.131 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@H]1CCCOCC1)C(=O)[O-] ZINC001571144057 1025862824 /nfs/dbraw/zinc/86/28/24/1025862824.db2.gz DSAAKFYHHSOQPD-OUJBWJOFSA-N -1 0 319.379 -0.193 20 0 DBADRM C[C@]1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CCCOC1 ZINC001571144862 1025864479 /nfs/dbraw/zinc/86/44/79/1025864479.db2.gz ZXKVOUJYCRFNRC-TVYUQYBPSA-N -1 0 319.379 -0.193 20 0 DBADRM Cn1cc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001571145658 1025864531 /nfs/dbraw/zinc/86/45/31/1025864531.db2.gz FTISUMRLEPFRED-KKOKHZNYSA-N -1 0 320.349 -0.553 20 0 DBADRM C[C@@]1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CCCOC1 ZINC001571144863 1025864981 /nfs/dbraw/zinc/86/49/81/1025864981.db2.gz ZXKVOUJYCRFNRC-ZWKOPEQDSA-N -1 0 319.379 -0.193 20 0 DBADRM O=C([O-])c1cnc(CNC(=O)CN2CCCS2(=O)=O)s1 ZINC001571144766 1025865080 /nfs/dbraw/zinc/86/50/80/1025865080.db2.gz WPRFKMYRCXNTOQ-UHFFFAOYSA-N -1 0 319.364 -0.507 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001571144685 1025865111 /nfs/dbraw/zinc/86/51/11/1025865111.db2.gz SUZIVOVZRNWUPL-KYHHOPLUSA-N -1 0 319.383 -0.729 20 0 DBADRM C[C@@H](CS(=O)(=O)NC[C@H](CO)Cc1cnn(C)c1)C(=O)[O-] ZINC001571144661 1025865121 /nfs/dbraw/zinc/86/51/21/1025865121.db2.gz SCOPQBKSCYABJL-GXSJLCMTSA-N -1 0 319.383 -0.789 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(CC(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001571145654 1025865232 /nfs/dbraw/zinc/86/52/32/1025865232.db2.gz FPLZOJHUNJOJBE-QMMMGPOBSA-N -1 0 320.317 -0.103 20 0 DBADRM O=C([O-])c1cc(C(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)on1 ZINC001571145256 1025865301 /nfs/dbraw/zinc/86/53/01/1025865301.db2.gz PPPINBKNEUICMN-UHFFFAOYSA-N -1 0 320.261 -0.100 20 0 DBADRM Cc1cc(CS(=O)(=O)N[C@@H](CC2OCCO2)C(=O)[O-])no1 ZINC001571145634 1025865464 /nfs/dbraw/zinc/86/54/64/1025865464.db2.gz FELBSBXWHYWLGN-VIFPVBQESA-N -1 0 320.323 -0.381 20 0 DBADRM CS(=O)(=O)CC1(NC(=O)c2csc(C(=O)[O-])n2)COC1 ZINC001571145530 1025865507 /nfs/dbraw/zinc/86/55/07/1025865507.db2.gz AXYVWWGVIMVBQQ-UHFFFAOYSA-N -1 0 320.348 -0.615 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NS(=O)(=O)Cc1ccon1 ZINC001571146492 1025866245 /nfs/dbraw/zinc/86/62/45/1025866245.db2.gz ZNFVSMBKLAAWJJ-SECBINFHSA-N -1 0 320.323 -0.300 20 0 DBADRM Cn1cncc1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001571146273 1025866629 /nfs/dbraw/zinc/86/66/29/1025866629.db2.gz UTRWIVIUROCGBA-XWLWVQCSSA-N -1 0 320.349 -0.235 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N[C@H](CO)[C@H](O)c2ccccn2)c1 ZINC001571145741 1025866863 /nfs/dbraw/zinc/86/68/63/1025866863.db2.gz IXQRFTSMRDWDIH-DGCLKSJQSA-N -1 0 320.305 -0.813 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NS(=O)(=O)Cc1ccon1 ZINC001571146494 1025867004 /nfs/dbraw/zinc/86/70/04/1025867004.db2.gz ZNFVSMBKLAAWJJ-VIFPVBQESA-N -1 0 320.323 -0.300 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001571146330 1025867312 /nfs/dbraw/zinc/86/73/12/1025867312.db2.gz VGDOBANCCYKPQM-OPRDCNLKSA-N -1 0 320.349 -0.113 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)Nc1ccnc2ccnn21 ZINC001571146101 1025867466 /nfs/dbraw/zinc/86/74/66/1025867466.db2.gz RLLDETXDWNGVBZ-UHFFFAOYSA-N -1 0 320.309 -0.168 20 0 DBADRM CC[C@@H]1COCCN1CCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001571149547 1025868779 /nfs/dbraw/zinc/86/87/79/1025868779.db2.gz AYURPPCAYCINFZ-UTUOFQBUSA-N -1 0 320.411 -0.120 20 0 DBADRM C[C@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC001571149646 1025868828 /nfs/dbraw/zinc/86/88/28/1025868828.db2.gz FGXXJJNTSYTMDC-WHOHXGKFSA-N -1 0 320.411 -0.122 20 0 DBADRM CCOC(=O)[C@@H]1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001571150207 1025870288 /nfs/dbraw/zinc/87/02/88/1025870288.db2.gz AKGOFDUEUWGDJQ-AEJSXWLSSA-N -1 0 321.351 -0.557 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001571150732 1025871168 /nfs/dbraw/zinc/87/11/68/1025871168.db2.gz LRLJCBHWMGKFPJ-PELKAZGASA-N -1 0 321.333 -0.328 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001571150953 1025871392 /nfs/dbraw/zinc/87/13/92/1025871392.db2.gz PFBXOSPBFWCVTA-VHSXEESVSA-N -1 0 321.337 -0.871 20 0 DBADRM CNC(=O)c1cccc(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)n1 ZINC001571151393 1025872447 /nfs/dbraw/zinc/87/24/47/1025872447.db2.gz VRMFMPGMBVTHED-UWVGGRQHSA-N -1 0 321.333 -0.092 20 0 DBADRM Cc1c(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)nnn1-c1cnn(C)c1 ZINC001571153458 1025872691 /nfs/dbraw/zinc/87/26/91/1025872691.db2.gz OARXPBYLZKWYTC-ZDUSSCGKSA-N -1 0 322.300 -0.052 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)[C@@]2(O)CCOC2)cc1 ZINC001571153474 1025872800 /nfs/dbraw/zinc/87/28/00/1025872800.db2.gz OPGZJNMSMYGRJY-OAHLLOKOSA-N -1 0 322.317 -0.480 20 0 DBADRM CC(=O)Nc1cccnc1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001571152410 1025872873 /nfs/dbraw/zinc/87/28/73/1025872873.db2.gz AZDPQQOOSGPTMW-YUMQZZPRSA-N -1 0 322.321 -0.252 20 0 DBADRM CNC(=O)c1cccc(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)n1 ZINC001571151395 1025873261 /nfs/dbraw/zinc/87/32/61/1025873261.db2.gz VRMFMPGMBVTHED-VHSXEESVSA-N -1 0 321.333 -0.092 20 0 DBADRM C[C@@](O)(C(=O)N[C@H](Cn1cncn1)C(=O)[O-])c1ccc(F)cc1 ZINC001571154353 1025873669 /nfs/dbraw/zinc/87/36/69/1025873669.db2.gz WQNFINYRSSPWDZ-RISCZKNCSA-N -1 0 322.296 -0.106 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]cc3F)C[C@H]21 ZINC001571154553 1025874451 /nfs/dbraw/zinc/87/44/51/1025874451.db2.gz YZYCUVLWTAANSI-UFNQKSLJSA-N -1 0 322.296 -0.544 20 0 DBADRM C[C@@H](NC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)c1ncn(C)n1 ZINC001571154568 1025874810 /nfs/dbraw/zinc/87/48/10/1025874810.db2.gz ZQERGEVNERZLIM-OQPBUACISA-N -1 0 322.325 -0.109 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571154160 1025874927 /nfs/dbraw/zinc/87/49/27/1025874927.db2.gz UZRKQGMVYLRCSS-RKDXNWHRSA-N -1 0 322.321 -0.571 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001571158086 1025875911 /nfs/dbraw/zinc/87/59/11/1025875911.db2.gz GPMMDRPFOJHMDK-LNLATYFQSA-N -1 0 323.367 -0.527 20 0 DBADRM Cc1cccc(C[C@H](CNC(=O)[C@H](CO)NC(N)=O)C(=O)[O-])c1 ZINC001571158161 1025875987 /nfs/dbraw/zinc/87/59/87/1025875987.db2.gz HSAWVBBJCSRXDN-NEPJUHHUSA-N -1 0 323.349 -0.616 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001571156394 1025876397 /nfs/dbraw/zinc/87/63/97/1025876397.db2.gz USQPRTKDPMOGLO-VHSXEESVSA-N -1 0 322.383 -0.784 20 0 DBADRM C[C@@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@@H](C(=O)[O-])O1 ZINC001571155949 1025877072 /nfs/dbraw/zinc/87/70/72/1025877072.db2.gz IMLNVIKBIUHJTA-BDAKNGLRSA-N -1 0 322.383 -0.595 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)CNC(=O)c2ncccc2O)CCO1 ZINC001571159958 1025877960 /nfs/dbraw/zinc/87/79/60/1025877960.db2.gz QTNJDSIWHXMKNV-VIFPVBQESA-N -1 0 323.305 -0.781 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@](C)(CCF)C(=O)[O-])n[nH]1 ZINC001571159653 1025878246 /nfs/dbraw/zinc/87/82/46/1025878246.db2.gz LBBQBHMKWJRKAM-SNVBAGLBSA-N -1 0 323.302 -0.323 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c[nH]1 ZINC001571160146 1025878358 /nfs/dbraw/zinc/87/83/58/1025878358.db2.gz UKOOEKINNKMDSS-SNVBAGLBSA-N -1 0 323.305 -0.393 20 0 DBADRM CSCc1nc(CNS(=O)(=O)N(C)CCC(=O)[O-])n[nH]1 ZINC001571161299 1025878569 /nfs/dbraw/zinc/87/85/69/1025878569.db2.gz PGUKFYJXDLSQFR-UHFFFAOYSA-N -1 0 323.400 -0.591 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001571158555 1025878723 /nfs/dbraw/zinc/87/87/23/1025878723.db2.gz NMNUJTYNGCBNIA-VIFPVBQESA-N -1 0 323.367 -0.468 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NS(=O)(=O)C[C@@H]1CCOC1 ZINC001571158422 1025878967 /nfs/dbraw/zinc/87/89/67/1025878967.db2.gz MDVYBKMAEXYJGV-NXEZZACHSA-N -1 0 323.367 -0.451 20 0 DBADRM COc1ncc(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)cc1Cl ZINC001571159876 1025879220 /nfs/dbraw/zinc/87/92/20/1025879220.db2.gz OFAAVOVMQZMLQD-UHFFFAOYSA-N -1 0 322.726 -0.436 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cn1 ZINC001571160480 1025879354 /nfs/dbraw/zinc/87/93/54/1025879354.db2.gz ZVKASNUHTXDKII-YUMQZZPRSA-N -1 0 323.305 -0.424 20 0 DBADRM COC(=O)C1(NC(=O)Cn2nccc2N)CCC(C(=O)[O-])CC1 ZINC001571163014 1025879638 /nfs/dbraw/zinc/87/96/38/1025879638.db2.gz CCLAGZFQHAYXQX-UHFFFAOYSA-N -1 0 324.337 -0.232 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N[C@@H](CO)[C@@H]2CCCOC2)c1=O ZINC001571163928 1025880029 /nfs/dbraw/zinc/88/00/29/1025880029.db2.gz WVJYHLUXZDSJFC-PWSUYJOCSA-N -1 0 324.333 -0.550 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)NC(CO)(CO)CO)cc1 ZINC001571163994 1025880223 /nfs/dbraw/zinc/88/02/23/1025880223.db2.gz YPHRBUKVXYGJRI-NWDGAFQWSA-N -1 0 324.333 -0.288 20 0 DBADRM CCc1cc(CNC(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)[nH]n1 ZINC001571163592 1025880336 /nfs/dbraw/zinc/88/03/36/1025880336.db2.gz NJPHKHCRDUXTLU-MNOVXSKESA-N -1 0 324.337 -0.013 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1 ZINC001571163192 1025880702 /nfs/dbraw/zinc/88/07/02/1025880702.db2.gz GLJOKMSARGVPSZ-HNXYLICVSA-N -1 0 324.337 -0.345 20 0 DBADRM COC(=O)C1CCC(NC(=O)Cn2nccc2N)(C(=O)[O-])CC1 ZINC001571163165 1025880764 /nfs/dbraw/zinc/88/07/64/1025880764.db2.gz FHYLZUYGMQAWSM-UHFFFAOYSA-N -1 0 324.337 -0.232 20 0 DBADRM CCN1C(=O)CO[C@H](C(=O)N[C@@H](C)C(=O)[O-])[C@H]1c1ccnn1C ZINC001571163981 1025880953 /nfs/dbraw/zinc/88/09/53/1025880953.db2.gz YJDHDBBCFXYEEK-AXTRIDKLSA-N -1 0 324.337 -0.702 20 0 DBADRM CCc1cc(CNC(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)[nH]n1 ZINC001571163593 1025881074 /nfs/dbraw/zinc/88/10/74/1025881074.db2.gz NJPHKHCRDUXTLU-QWRGUYRKSA-N -1 0 324.337 -0.013 20 0 DBADRM C[C@@]1(CNC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CCC(=O)N1 ZINC001571163166 1025881142 /nfs/dbraw/zinc/88/11/42/1025881142.db2.gz FJENWOSXJMKALE-KBPBESRZSA-N -1 0 324.337 -0.330 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)NC1CN(C(=O)[O-])C1)C2 ZINC001571164517 1025883173 /nfs/dbraw/zinc/88/31/73/1025883173.db2.gz ADYFVGZDBHWAOG-UHFFFAOYSA-N -1 0 324.341 -0.646 20 0 DBADRM CN(CCOCCNC(=O)c1cncnc1)Cc1n[nH]c(=O)[n-]1 ZINC001571340567 1025894075 /nfs/dbraw/zinc/89/40/75/1025894075.db2.gz VVNJNKVRPCLZLE-UHFFFAOYSA-N -1 0 321.341 -0.821 20 0 DBADRM CNC(=O)CC(=O)N(C)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001571820819 1026186892 /nfs/dbraw/zinc/18/68/92/1026186892.db2.gz DNYJLFNNSRZNNY-SSDOTTSWSA-N -1 0 311.342 -0.863 20 0 DBADRM C/C=C(\C)C(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001571818646 1026188024 /nfs/dbraw/zinc/18/80/24/1026188024.db2.gz OBCOOXQRFWDLNP-WVXIBAHESA-N -1 0 309.326 -0.174 20 0 DBADRM CC/C=C(/C)C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001572319506 1026333764 /nfs/dbraw/zinc/33/37/64/1026333764.db2.gz BWDCZTJRSRUJJK-NVDWLVSRSA-N -1 0 310.354 -0.013 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)C[C@@H]2C=CCC2)c1[O-] ZINC001572320202 1026334995 /nfs/dbraw/zinc/33/49/95/1026334995.db2.gz QPRASOWLOSKUNU-MNOVXSKESA-N -1 0 322.365 -0.013 20 0 DBADRM CC(C)=CC(=O)NC1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001572562149 1026431858 /nfs/dbraw/zinc/43/18/58/1026431858.db2.gz FNIVTMYOBJBIFM-UHFFFAOYSA-N -1 0 321.337 -0.032 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccn2nccc2n1)[C@@H](C)C(=O)[O-] ZINC001573348867 1026553303 /nfs/dbraw/zinc/55/33/03/1026553303.db2.gz ITTCMCLYSPYQHX-VIFPVBQESA-N -1 0 319.321 -0.219 20 0 DBADRM CC(=O)N(C)CC(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001573370906 1026558446 /nfs/dbraw/zinc/55/84/46/1026558446.db2.gz NZIGCDHIKGILEY-HXUWFJFHSA-N -1 0 304.368 -0.711 20 0 DBADRM C/C(=C\C(=O)N[C@@H]1CN(C(=O)CNC(=O)[O-])C[C@@H]1O)C1CC1 ZINC001573385621 1026558588 /nfs/dbraw/zinc/55/85/88/1026558588.db2.gz IAPJKWMQGJKUNX-KLIGILKNSA-N -1 0 311.338 -0.702 20 0 DBADRM C=Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)CNC(=O)[O-])cc1 ZINC001573385171 1026558748 /nfs/dbraw/zinc/55/87/48/1026558748.db2.gz WHGCWIDZMCBJKY-GFCCVEGCSA-N -1 0 321.333 -0.196 20 0 DBADRM C/C(=C\C(=O)NCCN(CCO)C(=O)CNC(=O)[O-])C1CC1 ZINC001573385979 1026559778 /nfs/dbraw/zinc/55/97/78/1026559778.db2.gz NFGCGKJKMQNVFA-CSKARUKUSA-N -1 0 313.354 -0.453 20 0 DBADRM CC(=O)c1cncc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)c1 ZINC001573397233 1026561347 /nfs/dbraw/zinc/56/13/47/1026561347.db2.gz IKMGWJCABIXHBJ-NWDGAFQWSA-N -1 0 307.306 -0.015 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])C1 ZINC001573389587 1026561781 /nfs/dbraw/zinc/56/17/81/1026561781.db2.gz CDEXTFJCQZDNCK-YMTOWFKASA-N -1 0 316.354 -0.788 20 0 DBADRM CC(=O)c1cn(CC(=O)N[C@@H](C(=O)[O-])C2CCOCC2)nn1 ZINC001573397893 1026562063 /nfs/dbraw/zinc/56/20/63/1026562063.db2.gz SHJPQRMFQLEDKC-GFCCVEGCSA-N -1 0 310.310 -0.523 20 0 DBADRM CC(=O)N(C)CC(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001573401640 1026563074 /nfs/dbraw/zinc/56/30/74/1026563074.db2.gz FELJNAUUUUBRKA-UHFFFAOYSA-N -1 0 321.337 -0.864 20 0 DBADRM CC(=O)N(C)c1ccc(NC(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001573401074 1026563109 /nfs/dbraw/zinc/56/31/09/1026563109.db2.gz MXIAIHLYKVEOJI-UHFFFAOYSA-N -1 0 322.321 -0.008 20 0 DBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccncc1)n1cncn1 ZINC001573400095 1026563593 /nfs/dbraw/zinc/56/35/93/1026563593.db2.gz SRCJBHCGOPILPR-DVVUODLYSA-N -1 0 305.294 -0.463 20 0 DBADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccncc1)n1cncn1 ZINC001573400096 1026564130 /nfs/dbraw/zinc/56/41/30/1026564130.db2.gz SRCJBHCGOPILPR-FBIMIBRVSA-N -1 0 305.294 -0.463 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573407348 1026565278 /nfs/dbraw/zinc/56/52/78/1026565278.db2.gz IXOKLXHOUSUGES-UWVGGRQHSA-N -1 0 315.370 -0.374 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573404027 1026565804 /nfs/dbraw/zinc/56/58/04/1026565804.db2.gz YEMQLYNLFUZNAR-SECBINFHSA-N -1 0 323.353 -0.088 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)CCNc1ncc(C(=O)[O-])cn1 ZINC001573403202 1026566182 /nfs/dbraw/zinc/56/61/82/1026566182.db2.gz OTNDABCLLWSWKM-UHFFFAOYSA-N -1 0 309.326 -0.477 20 0 DBADRM CC(=O)N1CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])[C@H](C)C1 ZINC001573414952 1026566798 /nfs/dbraw/zinc/56/67/98/1026566798.db2.gz XQRUAJBBWBGGOG-YUSALJHKSA-N -1 0 313.354 -0.262 20 0 DBADRM CC(=O)N1CC[C@@H](NS(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001573413100 1026567262 /nfs/dbraw/zinc/56/72/62/1026567262.db2.gz ANIFMCLLQZGDSL-MRVPVSSYSA-N -1 0 302.308 -0.123 20 0 DBADRM CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)NCC(=O)[O-])C1=O ZINC001573413077 1026567640 /nfs/dbraw/zinc/56/76/40/1026567640.db2.gz GCRTZCHWUKTGKP-SECBINFHSA-N -1 0 314.338 -0.233 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])C1 ZINC001573410906 1026567712 /nfs/dbraw/zinc/56/77/12/1026567712.db2.gz YUNLWYYFMCAEJC-QMTHXVAHSA-N -1 0 314.338 -0.423 20 0 DBADRM CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)CNC(=O)[O-])CC1 ZINC001573411053 1026567926 /nfs/dbraw/zinc/56/79/26/1026567926.db2.gz HSWNGRIXRXDOSA-YPMHNXCESA-N -1 0 313.354 -0.214 20 0 DBADRM CC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])CCO2 ZINC001573411120 1026568294 /nfs/dbraw/zinc/56/82/94/1026568294.db2.gz JMORJDSXHUZUOU-NEPJUHHUSA-N -1 0 310.350 -0.053 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001573420313 1026569384 /nfs/dbraw/zinc/56/93/84/1026569384.db2.gz AEZHJRZSGHVGHQ-UWVGGRQHSA-N -1 0 313.354 -0.804 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001573421356 1026569465 /nfs/dbraw/zinc/56/94/65/1026569465.db2.gz KDRXNAYCABOYHD-SCZZXKLOSA-N -1 0 321.337 -0.606 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)CNC(=O)[O-] ZINC001573420326 1026569620 /nfs/dbraw/zinc/56/96/20/1026569620.db2.gz AMRYZMUIDDXPRY-QMMMGPOBSA-N -1 0 316.358 -0.868 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001573420314 1026569687 /nfs/dbraw/zinc/56/96/87/1026569687.db2.gz AEZHJRZSGHVGHQ-VHSXEESVSA-N -1 0 313.354 -0.804 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573421748 1026569715 /nfs/dbraw/zinc/56/97/15/1026569715.db2.gz LNHDKJBEMBEXAE-KWQFWETISA-N -1 0 321.337 -0.288 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)c1ccnc(C(=O)[O-])n1 ZINC001573420558 1026569987 /nfs/dbraw/zinc/56/99/87/1026569987.db2.gz CRYXJJHARLPMLT-RKDXNWHRSA-N -1 0 323.353 -0.360 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)[C@H]1C ZINC001573427978 1026571240 /nfs/dbraw/zinc/57/12/40/1026571240.db2.gz NRUCJPZCJNMOAT-LDYMZIIASA-N -1 0 321.337 -0.288 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573422986 1026571388 /nfs/dbraw/zinc/57/13/88/1026571388.db2.gz VLJUKBAXMZVFID-HTQZYQBOSA-N -1 0 309.326 -0.384 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001573423358 1026571758 /nfs/dbraw/zinc/57/17/58/1026571758.db2.gz XLIOMVBNAYOECZ-YUMQZZPRSA-N -1 0 309.326 -0.962 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573423585 1026571875 /nfs/dbraw/zinc/57/18/75/1026571875.db2.gz ZHOGTNOIUQWPCZ-IUCAKERBSA-N -1 0 323.353 -0.042 20 0 DBADRM CC(=O)NCC(=O)N1C[C@H](Nc2ncc(C(=O)[O-])cn2)C[C@@H]1C ZINC001573427686 1026572119 /nfs/dbraw/zinc/57/21/19/1026572119.db2.gz FSWDLWRVEKTHHE-GZMMTYOYSA-N -1 0 321.337 -0.288 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)[C@H]1C ZINC001573428015 1026572230 /nfs/dbraw/zinc/57/22/30/1026572230.db2.gz ONWXKKSULSWDQC-SCZZXKLOSA-N -1 0 321.337 -0.866 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](C)CCNc1ccnc(C(=O)[O-])n1 ZINC001573430926 1026572776 /nfs/dbraw/zinc/57/27/76/1026572776.db2.gz WRSBPGQMAAMYGU-QMMMGPOBSA-N -1 0 309.326 -0.961 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)Cn2cnc(C(=O)[O-])cc2=O)C1 ZINC001573428392 1026573044 /nfs/dbraw/zinc/57/30/44/1026573044.db2.gz WANYUNRSBUCOJN-JTQLQIEISA-N -1 0 322.321 -0.931 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573429118 1026573262 /nfs/dbraw/zinc/57/32/62/1026573262.db2.gz CXANDRVPGGJDPL-AOOOYVTPSA-N -1 0 307.310 -0.630 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001573429894 1026573506 /nfs/dbraw/zinc/57/35/06/1026573506.db2.gz NBOCWSKKFSGCGY-NSHDSACASA-N -1 0 321.337 -0.604 20 0 DBADRM CC(=O)NCC(=O)NC[C@@H](Nc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001573429313 1026573509 /nfs/dbraw/zinc/57/35/09/1026573509.db2.gz HBYSMZNAJOMNAU-SNVBAGLBSA-N -1 0 321.337 -0.961 20 0 DBADRM CC(=O)NCC(=O)NC[C@@H](NC(=O)CNC(=O)[O-])C(C)(C)C ZINC001573430663 1026573778 /nfs/dbraw/zinc/57/37/78/1026573778.db2.gz UVQIISPPIAPUCI-SECBINFHSA-N -1 0 316.358 -0.963 20 0 DBADRM CC(=O)NCc1cn([C@@H]2CCCN(C(=O)CNC(=O)[O-])C2)nn1 ZINC001573436055 1026574586 /nfs/dbraw/zinc/57/45/86/1026574586.db2.gz FYLQXYZBHSURRH-LLVKDONJSA-N -1 0 324.341 -0.655 20 0 DBADRM CC(=O)N[C@@H](CSc1cc(C(N)=O)nc(Cl)n1)C(=O)[O-] ZINC001573436236 1026575175 /nfs/dbraw/zinc/57/51/75/1026575175.db2.gz LNXWKZWNBCDQHT-LURJTMIESA-N -1 0 318.742 -0.090 20 0 DBADRM CC(=O)Nc1ccc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)nc1 ZINC001573442964 1026575316 /nfs/dbraw/zinc/57/53/16/1026575316.db2.gz BIHHKERBQCVQFA-GXSJLCMTSA-N -1 0 307.306 -0.052 20 0 DBADRM CC(=O)Nc1ccc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])nc1 ZINC001573443431 1026575616 /nfs/dbraw/zinc/57/56/16/1026575616.db2.gz GUCNXISXXWUPBQ-LLVKDONJSA-N -1 0 320.305 -0.593 20 0 DBADRM CC(=O)NCc1nc(CNc2ncc(C(=O)[O-])cn2)cc(=O)[nH]1 ZINC001573435927 1026575935 /nfs/dbraw/zinc/57/59/35/1026575935.db2.gz DYVDTRNWJUFJRU-UHFFFAOYSA-N -1 0 318.293 -0.081 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NCC(=O)[O-])C1 ZINC001573464703 1026576787 /nfs/dbraw/zinc/57/67/87/1026576787.db2.gz IWTUEJCCDKOHEL-ZDUSSCGKSA-N -1 0 302.327 -0.051 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)[C@H](O)CC(=O)[O-] ZINC001573464413 1026576979 /nfs/dbraw/zinc/57/69/79/1026576979.db2.gz FFNVWXNDRRBZMR-RKDXNWHRSA-N -1 0 302.327 -0.052 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(=O)[O-])C1 ZINC001573465666 1026577905 /nfs/dbraw/zinc/57/79/05/1026577905.db2.gz UWTWLGSRVUVHEZ-DTWKUNHWSA-N -1 0 317.342 -0.402 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)CNC(=O)[O-])C1 ZINC001573464221 1026577947 /nfs/dbraw/zinc/57/79/47/1026577947.db2.gz DSZLUJTXCOUXDL-HTQZYQBOSA-N -1 0 303.315 -0.650 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCNC(=O)[O-])[C@@H](O)C1 ZINC001573464788 1026578073 /nfs/dbraw/zinc/57/80/73/1026578073.db2.gz LJSFDTDGZTXZJW-BDAKNGLRSA-N -1 0 317.342 -0.260 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)CCNC(=O)[O-] ZINC001573465596 1026578222 /nfs/dbraw/zinc/57/82/22/1026578222.db2.gz SUEFHXFMBQCKMR-MRVPVSSYSA-N -1 0 305.331 -0.354 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC001573469035 1026578877 /nfs/dbraw/zinc/57/88/77/1026578877.db2.gz WSSRVAMQTNJRLG-HLTSFMKQSA-N -1 0 318.326 -0.770 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001573468506 1026579527 /nfs/dbraw/zinc/57/95/27/1026579527.db2.gz NQBLOUWJDPPWCP-RKDXNWHRSA-N -1 0 302.327 -0.195 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC001573468700 1026579840 /nfs/dbraw/zinc/57/98/40/1026579840.db2.gz QKCXJYZBUBYZTP-XHNCKOQMSA-N -1 0 302.327 -0.291 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[O-])[C@H](CO)C1 ZINC001573465711 1026580467 /nfs/dbraw/zinc/58/04/67/1026580467.db2.gz VTKJXGVTSHGNTH-VIFPVBQESA-N -1 0 317.342 -0.306 20 0 DBADRM CC(C)(CO)CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001573478049 1026580491 /nfs/dbraw/zinc/58/04/91/1026580491.db2.gz HCTLXMTVMIAWMC-JTQLQIEISA-N -1 0 315.370 -0.230 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001573495131 1026581051 /nfs/dbraw/zinc/58/10/51/1026581051.db2.gz TXCTXNVLUXWAJU-QMMMGPOBSA-N -1 0 308.298 -0.674 20 0 DBADRM CC(C)[C@H](CNC(=O)NCc1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001573491444 1026581702 /nfs/dbraw/zinc/58/17/02/1026581702.db2.gz IRMRTVHJBJWNDQ-VIFPVBQESA-N -1 0 312.326 -0.358 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001573492512 1026581714 /nfs/dbraw/zinc/58/17/14/1026581714.db2.gz SGJGPQFMIRDRKW-ZJUUUORDSA-N -1 0 313.354 -0.674 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001573501243 1026582210 /nfs/dbraw/zinc/58/22/10/1026582210.db2.gz XIWCTRKCQSXTGB-UTLUCORTSA-N -1 0 306.384 -0.070 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N(CC(=O)[O-])C(C)C ZINC001573490570 1026582652 /nfs/dbraw/zinc/58/26/52/1026582652.db2.gz DHUCRDBZQDKVIJ-SNVBAGLBSA-N -1 0 315.370 -0.286 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC001573492943 1026582896 /nfs/dbraw/zinc/58/28/96/1026582896.db2.gz JIBPFVQNUIPHCL-VHSXEESVSA-N -1 0 306.384 -0.070 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-] ZINC001573524876 1026583997 /nfs/dbraw/zinc/58/39/97/1026583997.db2.gz JFKDOPPNYSKJRV-WDMOLILDSA-N -1 0 311.382 -0.093 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001573530795 1026584453 /nfs/dbraw/zinc/58/44/53/1026584453.db2.gz FZXKFJOCXPEEJJ-ZJUUUORDSA-N -1 0 304.368 -0.150 20 0 DBADRM CC(C)COC(=O)N1CCN(C(=O)[C@@H](O)CC(=O)[O-])CC1 ZINC001573515885 1026585107 /nfs/dbraw/zinc/58/51/07/1026585107.db2.gz FAAUBKIYVDIFJK-JTQLQIEISA-N -1 0 302.327 -0.241 20 0 DBADRM C[C@@H](CNC(=O)N1CC[C@@H](CNS(C)(=O)=O)C1)CC(=O)[O-] ZINC001573544142 1026588698 /nfs/dbraw/zinc/58/86/98/1026588698.db2.gz FZOAZCPSQAXHHX-ZJUUUORDSA-N -1 0 321.399 -0.322 20 0 DBADRM C[C@@H](CCC(=O)[O-])NC(=O)N(CCO)CCN1CCOCC1 ZINC001573540060 1026586908 /nfs/dbraw/zinc/58/69/08/1026586908.db2.gz CMBBCINZOGJEAO-LBPRGKRZSA-N -1 0 317.386 -0.424 20 0 DBADRM CC(C)c1nc([C@@H]2COCCN2C(=O)[C@H](O)CC(=O)[O-])no1 ZINC001573532835 1026586942 /nfs/dbraw/zinc/58/69/42/1026586942.db2.gz CYMLKRXQZXXRME-DTWKUNHWSA-N -1 0 313.310 -0.072 20 0 DBADRM C[C@H](CC(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1)NC(N)=O ZINC001573536244 1026587111 /nfs/dbraw/zinc/58/71/11/1026587111.db2.gz WXVHGDTZZBJODH-IJSAXESFSA-N -1 0 319.383 -0.742 20 0 DBADRM C[C@@H](CC(=O)N[C@@H](C)C1(C(=O)[O-])CCOCC1)NC(N)=O ZINC001573535573 1026587527 /nfs/dbraw/zinc/58/75/27/1026587527.db2.gz ODEBHLRAURDFIG-IUCAKERBSA-N -1 0 301.343 -0.181 20 0 DBADRM CC(C)n1nnc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001573535127 1026587810 /nfs/dbraw/zinc/58/78/10/1026587810.db2.gz HYPHHZAZBRFCMD-JGVFFNPUSA-N -1 0 313.318 -0.654 20 0 DBADRM C[C@@H](CCC(=O)[O-])NC(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001573541844 1026587763 /nfs/dbraw/zinc/58/77/63/1026587763.db2.gz ZRHXJYGQYPEZBT-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001573540704 1026587822 /nfs/dbraw/zinc/58/78/22/1026587822.db2.gz NGICCFASBBSKJH-UWVGGRQHSA-N -1 0 313.354 -0.721 20 0 DBADRM C[C@@H](CNC(=O)Nc1n[nH]nc1C(=O)NC1CC1)CC(=O)[O-] ZINC001573552795 1026588359 /nfs/dbraw/zinc/58/83/59/1026588359.db2.gz TZWWLMUBLDLGDD-ZCFIWIBFSA-N -1 0 310.314 -0.071 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)Nc1ncc(C(=O)[O-])n1C ZINC001573552051 1026588654 /nfs/dbraw/zinc/58/86/54/1026588654.db2.gz XGNUTJZNQURETL-LURJTMIESA-N -1 0 304.328 -0.327 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)CC1(C(=O)[O-])CCC1)C(N)=O ZINC001573550166 1026590031 /nfs/dbraw/zinc/59/00/31/1026590031.db2.gz JMYGJCIDBJJVSX-CYBMUJFWSA-N -1 0 308.338 -0.112 20 0 DBADRM C[C@H](Cc1cnn(C)c1)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573552040 1026590188 /nfs/dbraw/zinc/59/01/88/1026590188.db2.gz WYPZQGBCDFYTMG-SSDOTTSWSA-N -1 0 313.339 -0.249 20 0 DBADRM C[C@@H](NC(=O)N[C@@H](C)c1ccnn1C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573554428 1026590823 /nfs/dbraw/zinc/59/08/23/1026590823.db2.gz UGBATQFSRBSKER-YIZRAAEISA-N -1 0 311.342 -0.242 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)c1nc(C(=O)[O-])n[nH]1 ZINC001573560132 1026590841 /nfs/dbraw/zinc/59/08/41/1026590841.db2.gz QITOIRXTYSXJAS-NTSWFWBYSA-N -1 0 302.312 -0.743 20 0 DBADRM CC(C)[C@@H](NC(=O)c1nc2ncc(CCO)cn2n1)C(=O)[O-] ZINC001573558110 1026591417 /nfs/dbraw/zinc/59/14/17/1026591417.db2.gz FIDZOEPVFZEKMD-SECBINFHSA-N -1 0 307.310 -0.502 20 0 DBADRM C[C@H](NC(=O)[C@H]1CSCN1C(=O)[O-])C1N=NC(=O)N1C ZINC001573560570 1026592003 /nfs/dbraw/zinc/59/20/03/1026592003.db2.gz VNVUNLUFTNGYJN-NTSWFWBYSA-N -1 0 301.328 -0.249 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)Cc1ccno1)C(=O)[O-] ZINC001573559998 1026592035 /nfs/dbraw/zinc/59/20/35/1026592035.db2.gz NXCSJHGHIMQPDY-RNFRBKRXSA-N -1 0 305.312 -0.928 20 0 DBADRM C[C@@H](NC(=O)c1cccn(C2CC2)c1=O)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573560082 1026592094 /nfs/dbraw/zinc/59/20/94/1026592094.db2.gz PHXFYNUQLIOCCG-BDAKNGLRSA-N -1 0 321.333 -0.109 20 0 DBADRM C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)c1nc(C(=O)[O-])n[n-]1 ZINC001573562824 1026593055 /nfs/dbraw/zinc/59/30/55/1026593055.db2.gz PEZJRRFRSQODRH-IWSPIJDZSA-N -1 0 311.342 -0.475 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)NC(=O)c1cncc2ncn(C)c21)C(=O)[O-] ZINC001573560735 1026593103 /nfs/dbraw/zinc/59/31/03/1026593103.db2.gz XFUUUEMWDYXHAC-HTQZYQBOSA-N -1 0 319.321 -0.324 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cncc2ncn(C)c21)C(=O)[O-] ZINC001573560740 1026594058 /nfs/dbraw/zinc/59/40/58/1026594058.db2.gz XFUUUEMWDYXHAC-YUMQZZPRSA-N -1 0 319.321 -0.324 20 0 DBADRM C[C@](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)(C(=O)[O-])c1ccccc1 ZINC001573560750 1026594336 /nfs/dbraw/zinc/59/43/36/1026594336.db2.gz XHAPQYQQRPUSAE-BRXULGCHSA-N -1 0 321.329 -0.485 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)Nc2nnc(CC(=O)[O-])s2)CCO1 ZINC001573580203 1026595280 /nfs/dbraw/zinc/59/52/80/1026595280.db2.gz CGILCQXFTAKPDM-BQBZGAKWSA-N -1 0 316.339 -0.221 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)[O-] ZINC001573578542 1026595728 /nfs/dbraw/zinc/59/57/28/1026595728.db2.gz HCJXDKGVMHIAKX-ZCFIWIBFSA-N -1 0 300.292 -0.231 20 0 DBADRM C[C@@](O)(CN1CCOC2(CCS(=O)(=O)CC2)C1)C(=O)[O-] ZINC001573583421 1026597898 /nfs/dbraw/zinc/59/78/98/1026597898.db2.gz UMHWTLDMWXKCDL-LLVKDONJSA-N -1 0 307.368 -0.898 20 0 DBADRM C[C@H](CN(C)C(=O)c1nc2ncc(CCO)cn2n1)C(=O)[O-] ZINC001573588452 1026598676 /nfs/dbraw/zinc/59/86/76/1026598676.db2.gz METMTIAZGHCYNH-MRVPVSSYSA-N -1 0 307.310 -0.548 20 0 DBADRM C[C@]1(C(=O)[O-])CN(C(=O)CC2SC(=N)NC2=O)CCO1 ZINC001573602257 1026600059 /nfs/dbraw/zinc/60/00/59/1026600059.db2.gz UHOXMJLBLJJJQE-UPONEAKYSA-N -1 0 301.324 -0.755 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC001573600630 1026600766 /nfs/dbraw/zinc/60/07/66/1026600766.db2.gz ICWZOJSTIUCODU-SKDRFNHKSA-N -1 0 320.367 -0.551 20 0 DBADRM CC1(C)CNC(=O)[C@H]1NC(=O)c1ccnc2c(C(=O)[O-])cnn21 ZINC001573613116 1026601788 /nfs/dbraw/zinc/60/17/88/1026601788.db2.gz ONTYWSMBEXBUSA-SECBINFHSA-N -1 0 317.305 -0.318 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CCO1 ZINC001573606826 1026602209 /nfs/dbraw/zinc/60/22/09/1026602209.db2.gz YLNIDQQFHLKEAN-BREBYQMCSA-N -1 0 310.310 -0.710 20 0 DBADRM C[C@]1(NC(=O)c2ccnc3c(C(=O)[O-])cnn32)CCNC1=O ZINC001573622294 1026604412 /nfs/dbraw/zinc/60/44/12/1026604412.db2.gz KUAOLUZFADJURR-ZDUSSCGKSA-N -1 0 303.278 -0.564 20 0 DBADRM C[C@@]1(NC(=O)c2ccnc3c(C(=O)[O-])cnn32)CCNC1=O ZINC001573622293 1026604749 /nfs/dbraw/zinc/60/47/49/1026604749.db2.gz KUAOLUZFADJURR-CYBMUJFWSA-N -1 0 303.278 -0.564 20 0 DBADRM C[C@H]1[C@H](CO)CCN1S(=O)(=O)Cc1cc(C(=O)[O-])no1 ZINC001573632681 1026604757 /nfs/dbraw/zinc/60/47/57/1026604757.db2.gz MKLSEDNTUJUOHF-YUMQZZPRSA-N -1 0 304.324 -0.095 20 0 DBADRM C[C@@H]1C[C@H](CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC001573635784 1026605233 /nfs/dbraw/zinc/60/52/33/1026605233.db2.gz ZQSTZKPXOOQDTQ-MXWKQRLJSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC001573633807 1026607255 /nfs/dbraw/zinc/60/72/55/1026607255.db2.gz BSWACMQRKPPXBZ-QCNRFFRDSA-N -1 0 306.322 -0.249 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)C1 ZINC001573654077 1026608758 /nfs/dbraw/zinc/60/87/58/1026608758.db2.gz RPWAQCZHFWTEDN-OQPBUACISA-N -1 0 323.309 -0.677 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CCC[C@@H]1c1n[nH]nc1C(=O)[O-] ZINC001573660266 1026608784 /nfs/dbraw/zinc/60/87/84/1026608784.db2.gz IPGGFTFOANLWPO-XVMARJQXSA-N -1 0 309.282 -0.337 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)NCc2nc(C(=O)[O-])n[nH]2)C1 ZINC001573659807 1026609037 /nfs/dbraw/zinc/60/90/37/1026609037.db2.gz HCCICDOTOSTIKQ-QMMMGPOBSA-N -1 0 309.326 -0.232 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)[O-])cc2CN1CCCS(N)(=O)=O ZINC001573655687 1026609384 /nfs/dbraw/zinc/60/93/84/1026609384.db2.gz XZPJGLKDZKQNRU-MRVPVSSYSA-N -1 0 302.356 -0.536 20 0 DBADRM C[C@]1(C(N)=O)CCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001573654143 1026609466 /nfs/dbraw/zinc/60/94/66/1026609466.db2.gz VJIXEBIOCVZWRE-ZDUSSCGKSA-N -1 0 317.342 -0.989 20 0 DBADRM CCC(CC)(CNS(=O)(=O)N1CCN(C)CC1)C(=O)[O-] ZINC001573694366 1026620417 /nfs/dbraw/zinc/62/04/17/1026620417.db2.gz NPMIMXMZBUBNOG-UHFFFAOYSA-N -1 0 307.416 -0.041 20 0 DBADRM C[C@]1(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCC(=O)N1 ZINC001573684194 1026617911 /nfs/dbraw/zinc/61/79/11/1026617911.db2.gz KQWCXHNATOUMHK-YMTOWFKASA-N -1 0 311.338 -0.906 20 0 DBADRM C[C@]12CN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C[C@]1(C)C(=O)NC2=O ZINC001573690024 1026620357 /nfs/dbraw/zinc/62/03/57/1026620357.db2.gz WCXVLZXOFRCGJX-MAUFJKMRSA-N -1 0 308.334 -0.002 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NCCS(=O)(=O)C(C)C ZINC001573723946 1026623084 /nfs/dbraw/zinc/62/30/84/1026623084.db2.gz ALKRHVCTJPLELO-SECBINFHSA-N -1 0 315.413 -0.018 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC001573691783 1026620625 /nfs/dbraw/zinc/62/06/25/1026620625.db2.gz ZXLWVXOPCXHVRI-LBPRGKRZSA-N -1 0 315.351 -0.013 20 0 DBADRM C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001573711409 1026622198 /nfs/dbraw/zinc/62/21/98/1026622198.db2.gz MXADNKNJZWNWQN-HLTSFMKQSA-N -1 0 309.326 -0.523 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N[C@H](C)CCS(C)(=O)=O ZINC001573723948 1026622218 /nfs/dbraw/zinc/62/22/18/1026622218.db2.gz AOSSAKBTTVRUJF-BDAKNGLRSA-N -1 0 315.413 -0.018 20 0 DBADRM CCC1(CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)COC1 ZINC001573710469 1026622914 /nfs/dbraw/zinc/62/29/14/1026622914.db2.gz ZJQXFCWSKLXDEB-ZJUUUORDSA-N -1 0 301.343 -0.317 20 0 DBADRM CCC[C@H](C(=O)N1CC[C@H]([C@@H](F)C(=O)[O-])C1)S(N)(=O)=O ZINC001573723376 1026623279 /nfs/dbraw/zinc/62/32/79/1026623279.db2.gz WWPKWFDJQFJNHV-DJLDLDEBSA-N -1 0 310.347 -0.285 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NCc1nnnn1C1CC1 ZINC001573724023 1026623785 /nfs/dbraw/zinc/62/37/85/1026623785.db2.gz BXNQSNAKDQEARS-QMMMGPOBSA-N -1 0 303.344 -0.319 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cnc(N)nc1 ZINC001573710935 1026623872 /nfs/dbraw/zinc/62/38/72/1026623872.db2.gz INAVMLJJFRZVDE-JGVFFNPUSA-N -1 0 300.340 -0.067 20 0 DBADRM CCC[C@H](C(=O)Nc1nn(CC)cc1C(=O)[O-])S(N)(=O)=O ZINC001573722484 1026624117 /nfs/dbraw/zinc/62/41/17/1026624117.db2.gz OOTNZIXOODGAHT-MRVPVSSYSA-N -1 0 318.355 -0.003 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NCC(=O)Nc1ccn(C)n1 ZINC001573724842 1026625432 /nfs/dbraw/zinc/62/54/32/1026625432.db2.gz SOCRZFWBYXHPKK-QMMMGPOBSA-N -1 0 318.355 -0.469 20 0 DBADRM C[C@@H]1CCN(C(=O)NCC(=O)N=S(C)(C)=O)C[C@@H]1C(=O)[O-] ZINC001573727028 1026625542 /nfs/dbraw/zinc/62/55/42/1026625542.db2.gz RUCHSARXKVHEHA-BDAKNGLRSA-N -1 0 319.383 -0.007 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573733903 1026626791 /nfs/dbraw/zinc/62/67/91/1026626791.db2.gz PQFHXVQXZIZTTP-CIUDSAMLSA-N -1 0 316.358 -0.693 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C ZINC001573757520 1026627375 /nfs/dbraw/zinc/62/73/75/1026627375.db2.gz DMGDMZHXXQZRMG-NXEZZACHSA-N -1 0 315.370 -0.286 20 0 DBADRM CCC[C@@H](O)[C@@H](CO)NC(=O)CC1(C(=O)[O-])CCOCC1 ZINC001573734016 1026627891 /nfs/dbraw/zinc/62/78/91/1026627891.db2.gz PURNJAVIXIFQSY-GHMZBOCLSA-N -1 0 303.355 -0.104 20 0 DBADRM CCCCn1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(C)n1 ZINC001573741669 1026627953 /nfs/dbraw/zinc/62/79/53/1026627953.db2.gz BJJNFKXDUXADSC-VIFPVBQESA-N -1 0 305.356 -0.285 20 0 DBADRM CCCN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@@H](CC)C(=O)[O-] ZINC001573743751 1026628048 /nfs/dbraw/zinc/62/80/48/1026628048.db2.gz HDLUYIITMHKWDY-IUCAKERBSA-N -1 0 320.367 -0.999 20 0 DBADRM CCCN([C@H](C)C(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC001573751580 1026628177 /nfs/dbraw/zinc/62/81/77/1026628177.db2.gz XYEHFZGEWGVCHH-SECBINFHSA-N -1 0 315.413 -0.064 20 0 DBADRM CCN(CCC(=O)NC)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573771394 1026629481 /nfs/dbraw/zinc/62/94/81/1026629481.db2.gz YCZOWUJNVSLDIY-UHFFFAOYSA-N -1 0 318.355 -0.437 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@@H](NC(=O)C1CCCC1)[C@H](C)O ZINC001573769939 1026629903 /nfs/dbraw/zinc/62/99/03/1026629903.db2.gz IZIUAIWNMIYINK-CABZTGNLSA-N -1 0 300.355 -0.025 20 0 DBADRM CCN(CC(=O)[O-])C(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1 ZINC001573769326 1026630627 /nfs/dbraw/zinc/63/06/27/1026630627.db2.gz MUIQGRJXQGEMSF-UHFFFAOYSA-N -1 0 319.339 -0.104 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1=O ZINC001573776895 1026630849 /nfs/dbraw/zinc/63/08/49/1026630849.db2.gz GEEXEEZMYDNODA-AEJSXWLSSA-N -1 0 304.368 -0.220 20 0 DBADRM CCNc1nc(C)c(C(=O)N(CC(N)=O)CC(=O)[O-])s1 ZINC001573783054 1026631881 /nfs/dbraw/zinc/63/18/81/1026631881.db2.gz VFKQHFCDELXKCL-UHFFFAOYSA-N -1 0 300.340 -0.105 20 0 DBADRM CCOC(=O)[C@H](C)[C@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573781978 1026632416 /nfs/dbraw/zinc/63/24/16/1026632416.db2.gz NDXOTEPNBIWKMY-RQJHMYQMSA-N -1 0 319.339 -0.026 20 0 DBADRM CCOC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573781977 1026632916 /nfs/dbraw/zinc/63/29/16/1026632916.db2.gz NDXOTEPNBIWKMY-RNFRBKRXSA-N -1 0 319.339 -0.026 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@@H](O)CC(=O)[O-])c1cccc(O)c1 ZINC001573784990 1026633172 /nfs/dbraw/zinc/63/31/72/1026633172.db2.gz OLNAXGXLKYIJTD-CMPLNLGQSA-N -1 0 311.290 -0.052 20 0 DBADRM CCOC(=O)NCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001573788203 1026634256 /nfs/dbraw/zinc/63/42/56/1026634256.db2.gz UEXCJISTOJHVDP-GHMZBOCLSA-N -1 0 311.294 -0.570 20 0 DBADRM CCOC(=O)C[C@@H](NC(=O)[C@@H](O)CC(=O)[O-])C(F)(F)F ZINC001573786703 1026634404 /nfs/dbraw/zinc/63/44/04/1026634404.db2.gz YKWOKNWPQLYIPR-NTSWFWBYSA-N -1 0 301.217 -0.178 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@H](CO)CC(=O)[O-])C1 ZINC001573786416 1026634616 /nfs/dbraw/zinc/63/46/16/1026634616.db2.gz RQYGTJUZFJRPDC-MNOVXSKESA-N -1 0 316.354 -0.787 20 0 DBADRM CCO[C@H](C)c1noc(CN(C)C(=O)[C@H](O)CC(=O)[O-])n1 ZINC001573796744 1026635795 /nfs/dbraw/zinc/63/57/95/1026635795.db2.gz VMJVEOJIUVJTOJ-HTQZYQBOSA-N -1 0 301.299 -0.039 20 0 DBADRM CCOC(=O)c1cnn(CC(=O)N2CCCC[C@@H]2C(=O)[O-])n1 ZINC001573794138 1026635901 /nfs/dbraw/zinc/63/59/01/1026635901.db2.gz VVVIADIZTDUCEN-SNVBAGLBSA-N -1 0 310.310 -0.080 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1C[C@H](C(=O)[O-])C2(COC2)C1 ZINC001573800999 1026636765 /nfs/dbraw/zinc/63/67/65/1026636765.db2.gz FWODUVWUIOGKRL-GMTAPVOTSA-N -1 0 314.338 -0.467 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1CCCN1C(=O)CNC(C)=O)C(=O)[O-] ZINC001573795098 1026636811 /nfs/dbraw/zinc/63/68/11/1026636811.db2.gz IHXXIHNHLUWWMN-WDEREUQCSA-N -1 0 313.354 -0.660 20 0 DBADRM CC[C@H](CNC(=O)N1C[C@@H](O)C[C@H](C(=O)OC)C1)C(=O)[O-] ZINC001573800643 1026637048 /nfs/dbraw/zinc/63/70/48/1026637048.db2.gz TVCZNCKUCQVDEH-UTLUCORTSA-N -1 0 302.327 -0.337 20 0 DBADRM CCOC(=O)c1nccc(N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001573793966 1026637072 /nfs/dbraw/zinc/63/70/72/1026637072.db2.gz SYXFMMBKGMQCEK-DTWKUNHWSA-N -1 0 310.310 -0.542 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[O-] ZINC001573795096 1026637140 /nfs/dbraw/zinc/63/71/40/1026637140.db2.gz IHXXIHNHLUWWMN-QWRGUYRKSA-N -1 0 313.354 -0.660 20 0 DBADRM CCS(=O)(=O)NCC(=O)NCc1nc(CC(=O)[O-])cs1 ZINC001573807645 1026638070 /nfs/dbraw/zinc/63/80/70/1026638070.db2.gz RMILZYNVCDXDAU-UHFFFAOYSA-N -1 0 321.380 -0.674 20 0 DBADRM CCS(=O)(=O)c1ccc(CNC(=O)[C@@H](O)CC(=O)[O-])s1 ZINC001573807648 1026637882 /nfs/dbraw/zinc/63/78/82/1026637882.db2.gz ROGTZTKLZRPDMC-QMMMGPOBSA-N -1 0 321.376 -0.007 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001573806968 1026638698 /nfs/dbraw/zinc/63/86/98/1026638698.db2.gz AGFGDRWBFNJFQX-BDAKNGLRSA-N -1 0 308.356 -0.936 20 0 DBADRM CC[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@]1(F)C(=O)[O-] ZINC001573817476 1026639304 /nfs/dbraw/zinc/63/93/04/1026639304.db2.gz RTQXQDQCJMEKSJ-JVXZTZIISA-N -1 0 313.289 -0.962 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)N(C)CCS(N)(=O)=O)n1 ZINC001573846722 1026641167 /nfs/dbraw/zinc/64/11/67/1026641167.db2.gz HCSZONHBOIPRSD-UHFFFAOYSA-N -1 0 319.343 -0.647 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001573831615 1026641997 /nfs/dbraw/zinc/64/19/97/1026641997.db2.gz DWJQPOSCRRTBPH-VHSXEESVSA-N -1 0 323.367 -0.167 20 0 DBADRM CCn1nnc(C)c1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001573850541 1026642918 /nfs/dbraw/zinc/64/29/18/1026642918.db2.gz KQUTTXWOZUTNHW-VIFPVBQESA-N -1 0 317.371 -0.510 20 0 DBADRM CCn1nncc1CNC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573851343 1026642991 /nfs/dbraw/zinc/64/29/91/1026642991.db2.gz VPUKPFJLHWMKND-SCZZXKLOSA-N -1 0 312.330 -0.932 20 0 DBADRM CN(C(=O)Nc1ncc(C(=O)[O-])n1C)[C@H]1CCS(=O)(=O)C1 ZINC001573853100 1026643273 /nfs/dbraw/zinc/64/32/73/1026643273.db2.gz WKUKBKGQDHUTFU-ZETCQYMHSA-N -1 0 316.339 -0.231 20 0 DBADRM CN(C(=O)CCNS(C)(=O)=O)[C@@H](C(=O)[O-])c1cccnc1 ZINC001573852210 1026643340 /nfs/dbraw/zinc/64/33/40/1026643340.db2.gz JONOJNMMVKWDTC-LLVKDONJSA-N -1 0 315.351 -0.395 20 0 DBADRM CN(C)C(=O)CNC(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001573859072 1026643489 /nfs/dbraw/zinc/64/34/89/1026643489.db2.gz PDRYQLWNYSXUQC-OAQYLSRUSA-N -1 0 319.383 -0.918 20 0 DBADRM CCn1nncc1CNC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573851345 1026643642 /nfs/dbraw/zinc/64/36/42/1026643642.db2.gz VPUKPFJLHWMKND-WPRPVWTQSA-N -1 0 312.330 -0.932 20 0 DBADRM CCn1nncc1CNC(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC001573851685 1026643727 /nfs/dbraw/zinc/64/37/27/1026643727.db2.gz XZJBMSGYKYOHOV-ZDUSSCGKSA-N -1 0 311.342 -0.021 20 0 DBADRM C[N@H+](CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C[C@]1(O)CCCOC1 ZINC001573864520 1026644617 /nfs/dbraw/zinc/64/46/17/1026644617.db2.gz IDMTTZXHVSSYBZ-IUODEOHRSA-N -1 0 314.382 -0.217 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC001573864005 1026645613 /nfs/dbraw/zinc/64/56/13/1026645613.db2.gz QUHYZKUVYVXEKH-LWESTGQBSA-N -1 0 314.389 -0.853 20 0 DBADRM CN(C(C)(C)C(N)=O)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001573859541 1026645655 /nfs/dbraw/zinc/64/56/55/1026645655.db2.gz YYYIIFQBIJQRNX-UHFFFAOYSA-N -1 0 307.372 -0.777 20 0 DBADRM CN(CC(=O)[O-])C(=O)CN1Cc2nc(C3CC3)[nH]c(=O)c2C1 ZINC001573864391 1026645864 /nfs/dbraw/zinc/64/58/64/1026645864.db2.gz AVVNIEHOEDCNLL-UHFFFAOYSA-N -1 0 306.322 -0.082 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC001573864006 1026646011 /nfs/dbraw/zinc/64/60/11/1026646011.db2.gz QUHYZKUVYVXEKH-MDTSDYNXSA-N -1 0 314.389 -0.853 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573870493 1026647891 /nfs/dbraw/zinc/64/78/91/1026647891.db2.gz QFXPROWOFUSRNP-YNEHKIRRSA-N -1 0 314.382 -0.361 20 0 DBADRM CN(C)c1n[nH]c(CNC(=O)N2CCCN(C(=O)[O-])CC2)n1 ZINC001573865223 1026648184 /nfs/dbraw/zinc/64/81/84/1026648184.db2.gz KCOXVURXQZAKFN-UHFFFAOYSA-N -1 0 311.346 -0.234 20 0 DBADRM CN(C[C@@H](O)CN1CCO[C@H](C(=O)[O-])C1)CC(F)(F)F ZINC001573869488 1026648241 /nfs/dbraw/zinc/64/82/41/1026648241.db2.gz BMBNGDMOJMPMCM-BDAKNGLRSA-N -1 0 300.277 -0.373 20 0 DBADRM CN1C[C@H](C(=O)N2CCC[C@H]2c2n[nH]nc2C(=O)[O-])NC1=O ZINC001573883320 1026649632 /nfs/dbraw/zinc/64/96/32/1026649632.db2.gz UPBNRGNMHNHHPN-RQJHMYQMSA-N -1 0 308.298 -0.810 20 0 DBADRM CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001573882758 1026649992 /nfs/dbraw/zinc/64/99/92/1026649992.db2.gz HXRBMQSBEUKVQW-HFAKWTLXSA-N -1 0 312.366 -0.561 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)CC1=O ZINC001573882841 1026650675 /nfs/dbraw/zinc/65/06/75/1026650675.db2.gz KGJFDXOKSBEDJE-ZWKOPEQDSA-N -1 0 321.333 -0.447 20 0 DBADRM CN(CCn1cnnc1)S(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC001573876842 1026650983 /nfs/dbraw/zinc/65/09/83/1026650983.db2.gz VAVBKXGCRRBVJR-UHFFFAOYSA-N -1 0 317.371 -0.318 20 0 DBADRM CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573877427 1026651169 /nfs/dbraw/zinc/65/11/69/1026651169.db2.gz QHQJTAWGPPZRRG-DTWKUNHWSA-N -1 0 319.321 -0.123 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001573884835 1026651938 /nfs/dbraw/zinc/65/19/38/1026651938.db2.gz KBJOWLVWIYARMT-NWDGAFQWSA-N -1 0 311.382 -0.232 20 0 DBADRM CN1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])C[C@H]1CO ZINC001573885190 1026652383 /nfs/dbraw/zinc/65/23/83/1026652383.db2.gz OEWKBWUQFZTFMA-JTQLQIEISA-N -1 0 314.363 -0.318 20 0 DBADRM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573889153 1026652464 /nfs/dbraw/zinc/65/24/64/1026652464.db2.gz CLKIIWYDLWZHHN-XPUUQOCRSA-N -1 0 316.339 -0.699 20 0 DBADRM CCOC(=O)[C@](C)(O)CNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001573888517 1026652691 /nfs/dbraw/zinc/65/26/91/1026652691.db2.gz YJYPKPUQXNAVLF-PKFCDNJMSA-N -1 0 317.338 -0.313 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCN(C)[C@@H](CO)C2)cc1C(=O)[O-] ZINC001573885957 1026653351 /nfs/dbraw/zinc/65/33/51/1026653351.db2.gz WXGFEKQQWSEUDB-SECBINFHSA-N -1 0 317.367 -0.980 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001573886015 1026653688 /nfs/dbraw/zinc/65/36/88/1026653688.db2.gz XYKSJTWSZVCOOO-UTUOFQBUSA-N -1 0 320.411 -0.120 20 0 DBADRM CN1N=C(C(=O)N2CCC[C@H]2c2n[nH]nc2C(=O)[O-])CCC1=O ZINC001573889817 1026654643 /nfs/dbraw/zinc/65/46/43/1026654643.db2.gz ZFYSYEQLEXPZTI-QMMMGPOBSA-N -1 0 320.309 -0.225 20 0 DBADRM CNC(=O)N[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC001573890812 1026655348 /nfs/dbraw/zinc/65/53/48/1026655348.db2.gz XSJMQEJJRWUSKM-JGVFFNPUSA-N -1 0 302.356 -0.431 20 0 DBADRM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001573889518 1026655393 /nfs/dbraw/zinc/65/53/93/1026655393.db2.gz PTTRZHVRIMYIMZ-IUCAKERBSA-N -1 0 304.368 -0.172 20 0 DBADRM CNC(=O)CN1CCCN(c2cc(C(=O)[O-])nc(C)n2)CC1 ZINC001573890405 1026655425 /nfs/dbraw/zinc/65/54/25/1026655425.db2.gz OLMZMMXRPHUFCG-UHFFFAOYSA-N -1 0 307.354 -0.259 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)NC[C@@H](C)CC(=O)[O-] ZINC001573890757 1026655520 /nfs/dbraw/zinc/65/55/20/1026655520.db2.gz WXRHOZCVGOZOIW-VHSXEESVSA-N -1 0 316.358 -0.563 20 0 DBADRM CNC(=O)N[C@H]1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001573890183 1026655701 /nfs/dbraw/zinc/65/57/01/1026655701.db2.gz KAUGHDKZDOGSIU-QMMMGPOBSA-N -1 0 305.356 -0.673 20 0 DBADRM CNC(=O)CCCC(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccncc1 ZINC001573890152 1026655792 /nfs/dbraw/zinc/65/57/92/1026655792.db2.gz IVIAYJBVNGGIKL-QWHCGFSZSA-N -1 0 309.322 -0.399 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@@H](C)c2nc(C(=O)[O-])n[nH]2)n1 ZINC001573896114 1026657090 /nfs/dbraw/zinc/65/70/90/1026657090.db2.gz FNFFYPDMMFVIMX-LURJTMIESA-N -1 0 318.293 -0.252 20 0 DBADRM CCOC(=O)C[C@H](O)CN1CCO[C@](COC)(C(=O)[O-])C1 ZINC001573894923 1026658090 /nfs/dbraw/zinc/65/80/90/1026658090.db2.gz PJPGLRYQAGHWQO-GXFFZTMASA-N -1 0 305.327 -0.898 20 0 DBADRM CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001573899821 1026658494 /nfs/dbraw/zinc/65/84/94/1026658494.db2.gz FEQMIHSQZQIZNZ-BDAKNGLRSA-N -1 0 310.310 -0.176 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001573928564 1026667687 /nfs/dbraw/zinc/66/76/87/1026667687.db2.gz DZWFIIJAWLEZBQ-VHSXEESVSA-N -1 0 306.384 -0.163 20 0 DBADRM COC(=O)[C@H](C[C@@H]1CCCO1)NS(=O)(=O)CCC(=O)[O-] ZINC001573907997 1026659256 /nfs/dbraw/zinc/65/92/56/1026659256.db2.gz ULWGAUFKIXESMH-IUCAKERBSA-N -1 0 309.340 -0.509 20 0 DBADRM CC(C)(F)C(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001573912682 1026659410 /nfs/dbraw/zinc/65/94/10/1026659410.db2.gz BVDXJDVUVGJFNK-UHFFFAOYSA-N -1 0 320.332 -0.113 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)c2cn(CC(=O)[O-])nn2)[C@@]12CCCO2 ZINC001573911870 1026659449 /nfs/dbraw/zinc/65/94/49/1026659449.db2.gz UTSPOTZKVUROFC-GYSYKLTISA-N -1 0 324.337 -0.181 20 0 DBADRM COC(=O)[C@@H](C[C@@H]1CCCO1)NS(=O)(=O)CCC(=O)[O-] ZINC001573907996 1026659588 /nfs/dbraw/zinc/65/95/88/1026659588.db2.gz ULWGAUFKIXESMH-DTWKUNHWSA-N -1 0 309.340 -0.509 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC2(CC(=O)[O-])COC2)o1 ZINC001573910282 1026659619 /nfs/dbraw/zinc/65/96/19/1026659619.db2.gz JTFLRYGBJVXVJT-UHFFFAOYSA-N -1 0 318.307 -0.839 20 0 DBADRM CNS(=O)(=O)c1cccc(CNC(=O)[C@@H](O)CC(=O)[O-])c1 ZINC001573911001 1026659912 /nfs/dbraw/zinc/65/99/12/1026659912.db2.gz XNMGLYLOZBLTEC-JTQLQIEISA-N -1 0 316.335 -0.954 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CC([C@H](C)C(=O)[O-])C2)o1 ZINC001573910227 1026660210 /nfs/dbraw/zinc/66/02/10/1026660210.db2.gz IOCMWJDTRLARGP-ZETCQYMHSA-N -1 0 316.335 -0.020 20 0 DBADRM COC(=O)C[C@@H]1CS(=O)(=O)CCN1C[C@@H]1C[C@H]1C(=O)[O-] ZINC001573913932 1026660686 /nfs/dbraw/zinc/66/06/86/1026660686.db2.gz BVBXIWLLHACOCV-IVZWLZJFSA-N -1 0 305.352 -0.631 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)N[C@H](CC(=O)[O-])C(F)(F)F ZINC001573914491 1026660731 /nfs/dbraw/zinc/66/07/31/1026660731.db2.gz LHQSARLFCGOMBI-PHDIDXHHSA-N -1 0 316.232 -0.385 20 0 DBADRM COC(=O)C[C@@](C)(NC(=O)[C@H](O)CC(=O)[O-])c1cccnc1 ZINC001573914155 1026661497 /nfs/dbraw/zinc/66/14/97/1026661497.db2.gz FYUQRYNUFBDXQV-QMTHXVAHSA-N -1 0 310.306 -0.188 20 0 DBADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H]1C ZINC001573914908 1026661716 /nfs/dbraw/zinc/66/17/16/1026661716.db2.gz QPKBLEQPGOYJJP-RQJHMYQMSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1 ZINC001573914717 1026661933 /nfs/dbraw/zinc/66/19/33/1026661933.db2.gz BCQZDXNFGMYJKB-ZDUSSCGKSA-N -1 0 311.294 -0.135 20 0 DBADRM COC(=O)[C@]1(CNS(=O)(=O)C2(CC(=O)[O-])CC2)CCOC1 ZINC001573916697 1026662643 /nfs/dbraw/zinc/66/26/43/1026662643.db2.gz VVDXQDNIETVYGD-NSHDSACASA-N -1 0 321.351 -0.507 20 0 DBADRM COC(=O)C1(O)CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC001573916679 1026662662 /nfs/dbraw/zinc/66/26/62/1026662662.db2.gz VAKPKCOUMACWJO-UHFFFAOYSA-N -1 0 315.303 -0.707 20 0 DBADRM COC(=O)C1(NS(=O)(=O)CCCC(=O)[O-])CC(CO)C1 ZINC001573916764 1026663130 /nfs/dbraw/zinc/66/31/30/1026663130.db2.gz XSGXTIICYAOTJN-UHFFFAOYSA-N -1 0 309.340 -0.915 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1 ZINC001573915046 1026663477 /nfs/dbraw/zinc/66/34/77/1026663477.db2.gz FPCBLMLXGQDWTP-MXWKQRLJSA-N -1 0 312.322 -0.275 20 0 DBADRM COC(=O)CC(C)(C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573915727 1026663977 /nfs/dbraw/zinc/66/39/77/1026663977.db2.gz YYCRGIQRGMNUKR-UHFFFAOYSA-N -1 0 305.312 -0.272 20 0 DBADRM COC(=O)N(C)CC(=O)N1CCC[C@@H]1c1n[nH]nc1C(=O)[O-] ZINC001573922104 1026664676 /nfs/dbraw/zinc/66/46/76/1026664676.db2.gz CSTCXYMCIRXSCF-SSDOTTSWSA-N -1 0 311.298 -0.135 20 0 DBADRM COC(=O)[C@@H](F)CNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001573926269 1026665005 /nfs/dbraw/zinc/66/50/05/1026665005.db2.gz VYSQBHUHOMJYSR-SFYZADRCSA-N -1 0 312.319 -0.872 20 0 DBADRM COC(=O)COCC(=O)N1CC[C@@H](c2n[nH]cc2C(=O)[O-])C1 ZINC001573921922 1026665022 /nfs/dbraw/zinc/66/50/22/1026665022.db2.gz UYEPSIBLEUIFNE-MRVPVSSYSA-N -1 0 311.294 -0.387 20 0 DBADRM COC(=O)N[C@H]1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C1 ZINC001573924687 1026665431 /nfs/dbraw/zinc/66/54/31/1026665431.db2.gz CLDZQSZOBDSMOV-DTWKUNHWSA-N -1 0 321.355 -0.790 20 0 DBADRM COC(=O)CCNC(=O)CCNc1cc(C(=O)[O-])nc(C)n1 ZINC001573921456 1026665648 /nfs/dbraw/zinc/66/56/48/1026665648.db2.gz FXTDGJPWSDRQCD-UHFFFAOYSA-N -1 0 310.310 -0.035 20 0 DBADRM COC(=O)COCC(=O)N1CC[C@H](c2n[nH]cc2C(=O)[O-])C1 ZINC001573921923 1026665991 /nfs/dbraw/zinc/66/59/91/1026665991.db2.gz UYEPSIBLEUIFNE-QMMMGPOBSA-N -1 0 311.294 -0.387 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001573928562 1026666985 /nfs/dbraw/zinc/66/69/85/1026666985.db2.gz DZWFIIJAWLEZBQ-NXEZZACHSA-N -1 0 306.384 -0.163 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)C2(CC(=O)[O-])CC2)C[C@@H](C)O1 ZINC001573934944 1026667192 /nfs/dbraw/zinc/66/71/92/1026667192.db2.gz HOVPEYSFNASZKQ-BDAKNGLRSA-N -1 0 321.351 -0.414 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CCSC[C@H]2C(=O)[O-])C[C@H]1C ZINC001573934995 1026667220 /nfs/dbraw/zinc/66/72/20/1026667220.db2.gz IWKLPQFRHVBJFX-UTINFBMNSA-N -1 0 317.363 -0.018 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)NC2CCN(C(=O)[O-])CC2)O1 ZINC001573930106 1026667374 /nfs/dbraw/zinc/66/73/74/1026667374.db2.gz BPAKWUFCYYTWMK-ZJUUUORDSA-N -1 0 300.311 -0.034 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C1 ZINC001573935016 1026667385 /nfs/dbraw/zinc/66/73/85/1026667385.db2.gz ICNUULBQBQWTJY-BGZDPUMWSA-N -1 0 300.311 -0.720 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC001573931300 1026667582 /nfs/dbraw/zinc/66/75/82/1026667582.db2.gz UTHVPQWVBQOJJO-ZJUUUORDSA-N -1 0 320.367 -0.047 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)[O-])C[C@@H](C)O1 ZINC001573931004 1026667721 /nfs/dbraw/zinc/66/77/21/1026667721.db2.gz QZWMPNXXVIORKK-VGMNWLOBSA-N -1 0 318.351 -0.172 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C)c2nc(C(=O)[O-])n[nH]2)O1 ZINC001573931611 1026667730 /nfs/dbraw/zinc/66/77/30/1026667730.db2.gz ZFJUVTJBPGKSRD-QYNIQEEDSA-N -1 0 312.282 -0.599 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)N1C[C@@H](C(=O)[O-])C2(COC2)C1 ZINC001573934880 1026667817 /nfs/dbraw/zinc/66/78/17/1026667817.db2.gz FNMLHVACDJPJDY-BBBLOLIVSA-N -1 0 312.322 -0.462 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)CCCC(=O)[O-])C[C@H](C)O1 ZINC001573935331 1026668813 /nfs/dbraw/zinc/66/88/13/1026668813.db2.gz QZFQRBDGAMOJMB-IUCAKERBSA-N -1 0 309.340 -0.557 20 0 DBADRM COC(=O)c1cc(F)cc(C(=O)N(CC(N)=O)CC(=O)[O-])c1 ZINC001573938361 1026668864 /nfs/dbraw/zinc/66/88/64/1026668864.db2.gz MAQDEJBTMRQZBW-UHFFFAOYSA-N -1 0 312.253 -0.376 20 0 DBADRM COC(=O)c1cc(C)nc(N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001573939108 1026669308 /nfs/dbraw/zinc/66/93/08/1026669308.db2.gz TVABYAZNXXDCFZ-PSASIEDQSA-N -1 0 310.310 -0.046 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)NC2CCN(C(=O)[O-])CC2)C1 ZINC001573935763 1026669921 /nfs/dbraw/zinc/66/99/21/1026669921.db2.gz ZSYXINOQLMZBRU-WAAGHKOSSA-N -1 0 320.367 0.000 20 0 DBADRM COC(=O)c1cc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)n(C)n1 ZINC001573937975 1026670008 /nfs/dbraw/zinc/67/00/08/1026670008.db2.gz HFHLGDXSJQHCCA-QMMMGPOBSA-N -1 0 312.282 -0.476 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](C)CC(=O)[O-])n[nH]1 ZINC001573940825 1026670866 /nfs/dbraw/zinc/67/08/66/1026670866.db2.gz SAFNFDGTPWFRCD-ZCFIWIBFSA-N -1 0 305.312 -0.415 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001573941484 1026672061 /nfs/dbraw/zinc/67/20/61/1026672061.db2.gz HBXVRRHUYIDHAY-SVRRBLITSA-N -1 0 317.323 -0.272 20 0 DBADRM COC(=O)c1cn(CC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])nn1 ZINC001573942115 1026672120 /nfs/dbraw/zinc/67/21/20/1026672120.db2.gz PSKIISNULZZVFP-BDAKNGLRSA-N -1 0 310.310 -0.176 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001573942843 1026672365 /nfs/dbraw/zinc/67/23/65/1026672365.db2.gz UGOJDXORLBYUCY-RITPCOANSA-N -1 0 305.312 -0.416 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@H](C)c1nc(C(=O)[O-])n[nH]1)C1CC1 ZINC001573947988 1026672491 /nfs/dbraw/zinc/67/24/91/1026672491.db2.gz GCLOZADGLPYSMU-HTRCEHHLSA-N -1 0 318.355 -0.092 20 0 DBADRM CO[C@]1(C(=O)Nc2nc(C(=O)[O-])c[nH]2)CCS(=O)(=O)C1 ZINC001573948143 1026673372 /nfs/dbraw/zinc/67/33/72/1026673372.db2.gz GSLQXRNTZQZABR-SNVBAGLBSA-N -1 0 303.296 -0.750 20 0 DBADRM COC1(C(=O)Nc2nc(CC(=O)[O-])cs2)CS(=O)(=O)C1 ZINC001573950273 1026673441 /nfs/dbraw/zinc/67/34/41/1026673441.db2.gz ZYKYCHBSCVDJRF-UHFFFAOYSA-N -1 0 320.348 -0.478 20 0 DBADRM CO[C@H](CNC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO)C(C)C ZINC001573948638 1026673766 /nfs/dbraw/zinc/67/37/66/1026673766.db2.gz KKJVSFDGPKJXNG-GARJFASQSA-N -1 0 303.359 -0.073 20 0 DBADRM COC1(C(=O)Nc2cnc(C(=O)[O-])s2)CS(=O)(=O)C1 ZINC001573948225 1026674379 /nfs/dbraw/zinc/67/43/79/1026674379.db2.gz ICKZIAHRSLHVPT-UHFFFAOYSA-N -1 0 306.321 -0.407 20 0 DBADRM CO[C@]1(CNC(=O)c2cc(C(=O)[O-])no2)CCS(=O)(=O)C1 ZINC001573952555 1026674405 /nfs/dbraw/zinc/67/44/05/1026674405.db2.gz ASEAQUCACXQSFP-NSHDSACASA-N -1 0 318.307 -0.694 20 0 DBADRM COC[C@H](NC(=O)CC1(C(=O)[O-])CCOCC1)C(=O)OC ZINC001573968024 1026678866 /nfs/dbraw/zinc/67/88/66/1026678866.db2.gz AMSIABIQUUEMKU-VIFPVBQESA-N -1 0 303.311 -0.438 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001573975735 1026682259 /nfs/dbraw/zinc/68/22/59/1026682259.db2.gz RWIXBNTZKRRNDI-IMSIIYSGSA-N -1 0 314.338 -0.641 20 0 DBADRM CCc1nncn1CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001573970510 1026682277 /nfs/dbraw/zinc/68/22/77/1026682277.db2.gz MXNPUTHTZIVJSZ-SNVBAGLBSA-N -1 0 323.353 -0.720 20 0 DBADRM COCCn1ccc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001573985108 1026683708 /nfs/dbraw/zinc/68/37/08/1026683708.db2.gz HJWWDFCYXDVRAM-ONGXEEELSA-N -1 0 312.326 -0.770 20 0 DBADRM COCC[C@@H](NC(=O)CC1(C(=O)[O-])CCOCC1)C(=O)OC ZINC001573978471 1026683866 /nfs/dbraw/zinc/68/38/66/1026683866.db2.gz VADDUSXQICQGEJ-SNVBAGLBSA-N -1 0 317.338 -0.048 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)[C@]2(C(=O)[O-])CCCO2)n1 ZINC001573982566 1026684032 /nfs/dbraw/zinc/68/40/32/1026684032.db2.gz AATQPHOHBIWDGN-ZDUSSCGKSA-N -1 0 310.310 -0.456 20 0 DBADRM COC[C@H](NC(=O)Cn1ncc(=O)c2ccccc21)C(=O)[O-] ZINC001573985681 1026685338 /nfs/dbraw/zinc/68/53/38/1026685338.db2.gz PDIGQHTZHAAGQE-JTQLQIEISA-N -1 0 305.290 -0.388 20 0 DBADRM COC[C@H](NS(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1)C(=O)[O-] ZINC001573990922 1026685391 /nfs/dbraw/zinc/68/53/91/1026685391.db2.gz NMCREJPWYXEYSQ-VWYCJHECSA-N -1 0 307.368 -0.037 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1)C(=O)[O-] ZINC001573986605 1026685868 /nfs/dbraw/zinc/68/58/68/1026685868.db2.gz ZMRZRLAEOBMDLG-DTWKUNHWSA-N -1 0 316.310 -0.311 20 0 DBADRM COCCn1cc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)cn1 ZINC001573986549 1026685964 /nfs/dbraw/zinc/68/59/64/1026685964.db2.gz XHKVQRWXOGMQTM-QWRGUYRKSA-N -1 0 312.326 -0.770 20 0 DBADRM COC[C@H](NS(=O)(=O)c1c[nH]nc1C(F)(F)F)C(=O)[O-] ZINC001573991345 1026685974 /nfs/dbraw/zinc/68/59/74/1026685974.db2.gz VIRVHYUJGZUECN-BYPYZUCNSA-N -1 0 317.245 -0.194 20 0 DBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001573992488 1026688769 /nfs/dbraw/zinc/68/87/69/1026688769.db2.gz QXURBOILUKNNNO-LPEHRKFASA-N -1 0 308.356 -0.969 20 0 DBADRM CN1C(=O)COc2cccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])c21 ZINC001574022623 1026690317 /nfs/dbraw/zinc/69/03/17/1026690317.db2.gz OCMVBZZCDTXULE-CQSZACIVSA-N -1 0 323.305 -0.001 20 0 DBADRM COc1cc(OC)cc([C@@H](O)CNC(=O)[C@H](O)CC(=O)[O-])c1 ZINC001574027262 1026690475 /nfs/dbraw/zinc/69/04/75/1026690475.db2.gz UXJZRLZDJPJOSV-NEPJUHHUSA-N -1 0 313.306 -0.311 20 0 DBADRM CN(Cc1nnc2n1CCNC2=O)C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001574023006 1026690572 /nfs/dbraw/zinc/69/05/72/1026690572.db2.gz SRURZBMSRXBULL-VIFPVBQESA-N -1 0 307.310 -0.909 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001574032345 1026692239 /nfs/dbraw/zinc/69/22/39/1026692239.db2.gz SSJDFSQEYYXWHH-XQRVVYSFSA-N -1 0 323.305 -0.688 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001574037304 1026692324 /nfs/dbraw/zinc/69/23/24/1026692324.db2.gz QAESPLCQUDAKCX-JGVFFNPUSA-N -1 0 322.325 -0.261 20 0 DBADRM CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](OC)C(=O)[O-])c1 ZINC001574037256 1026692571 /nfs/dbraw/zinc/69/25/71/1026692571.db2.gz NSEQXANTJNSKRM-VIFPVBQESA-N -1 0 318.307 -0.662 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001574037244 1026693407 /nfs/dbraw/zinc/69/34/07/1026693407.db2.gz NMTHRRPVPQJIPH-LLVKDONJSA-N -1 0 300.336 -0.214 20 0 DBADRM CNC(=O)CCNC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001574032323 1026693446 /nfs/dbraw/zinc/69/34/46/1026693446.db2.gz SKVXTCRQOZBQJD-XIRUVYRFSA-N -1 0 313.354 -0.166 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)NC[C@H](C)C(=O)[O-])C1=O ZINC001574047058 1026694496 /nfs/dbraw/zinc/69/44/96/1026694496.db2.gz JXLOUHRGTNKEPI-DTWKUNHWSA-N -1 0 300.311 -0.765 20 0 DBADRM COc1cccnc1CC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001574052536 1026695006 /nfs/dbraw/zinc/69/50/06/1026695006.db2.gz RUZUFHVYCXSRET-GXSJLCMTSA-N -1 0 309.322 -0.280 20 0 DBADRM COC(=O)CCCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001574054388 1026695137 /nfs/dbraw/zinc/69/51/37/1026695137.db2.gz CRUQBNIPFGIISW-UHFFFAOYSA-N -1 0 321.351 -0.665 20 0 DBADRM COc1nnccc1NC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001574054296 1026695227 /nfs/dbraw/zinc/69/52/27/1026695227.db2.gz LQWVBJGGEVZPOO-APPZFPTMSA-N -1 0 311.298 -0.423 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H](OC)[C@@H]1CCOC1 ZINC001574055725 1026696912 /nfs/dbraw/zinc/69/69/12/1026696912.db2.gz QGPBRELPCFYHNM-BXKDBHETSA-N -1 0 303.311 -0.486 20 0 DBADRM CS(=O)(=O)CCNC(=O)Nc1ncc(CC(=O)[O-])s1 ZINC001574057665 1026698068 /nfs/dbraw/zinc/69/80/68/1026698068.db2.gz VBKFEBSNMASULT-UHFFFAOYSA-N -1 0 307.353 -0.064 20 0 DBADRM CS(=O)(=O)C1(C(=O)[O-])CCN(C(=O)[C@H]2CCC(=O)O2)CC1 ZINC001574057639 1026698145 /nfs/dbraw/zinc/69/81/45/1026698145.db2.gz UBKXDOZJSGUCOS-MRVPVSSYSA-N -1 0 319.335 -0.818 20 0 DBADRM CS(=O)(=O)Nc1cc(NC(=O)[C@H](O)CC(=O)[O-])ccc1F ZINC001574059116 1026698162 /nfs/dbraw/zinc/69/81/62/1026698162.db2.gz DNWKWVWXRVDVEV-SECBINFHSA-N -1 0 320.298 -0.029 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)CCc2cn[nH]n2)CC1 ZINC001574059313 1026698899 /nfs/dbraw/zinc/69/88/99/1026698899.db2.gz ICIDOMNTFXWWMI-NRFANRHFSA-N -1 0 314.367 -0.438 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])Cc1coc(S(N)(=O)=O)c1 ZINC001574061751 1026699781 /nfs/dbraw/zinc/69/97/81/1026699781.db2.gz RFQPALHYJPOKJK-UHFFFAOYSA-N -1 0 320.323 -0.623 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC001574059895 1026700285 /nfs/dbraw/zinc/70/02/85/1026700285.db2.gz SEUFCIJKIQQLIB-VIFPVBQESA-N -1 0 313.335 0.000 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001574059860 1026700428 /nfs/dbraw/zinc/70/04/28/1026700428.db2.gz RCKODOBLEQOUGH-GARJFASQSA-N -1 0 318.395 -0.115 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC001574060074 1026700837 /nfs/dbraw/zinc/70/08/37/1026700837.db2.gz WFBPWXWJTCFKCE-UWVGGRQHSA-N -1 0 320.367 -0.984 20 0 DBADRM CS(=O)(=O)Nc1cccc(CNC(=O)[C@@H](O)CC(=O)[O-])c1 ZINC001574060125 1026701123 /nfs/dbraw/zinc/70/11/23/1026701123.db2.gz YLDVLGINEJAOOC-JTQLQIEISA-N -1 0 316.335 -0.490 20 0 DBADRM CSC[C@@H](NS(=O)(=O)CCN1CCOC1=O)C(=O)[O-] ZINC001574096336 1026702567 /nfs/dbraw/zinc/70/25/67/1026702567.db2.gz HTACEYWKLBEMDJ-SSDOTTSWSA-N -1 0 312.369 -0.826 20 0 DBADRM CSC[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC001574096836 1026702880 /nfs/dbraw/zinc/70/28/80/1026702880.db2.gz RGCRMMBDRMFPHX-ZETCQYMHSA-N -1 0 321.380 -0.782 20 0 DBADRM COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)[C@@H](OC)C(=O)[O-] ZINC001574081827 1026703173 /nfs/dbraw/zinc/70/31/73/1026703173.db2.gz NYMTVSBMWNHLJQ-MRVPVSSYSA-N -1 0 314.250 -0.374 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N(CC(=O)[O-])C(C)C ZINC001574094494 1026703241 /nfs/dbraw/zinc/70/32/41/1026703241.db2.gz ICWFHBJXOQXDPA-UHFFFAOYSA-N -1 0 305.312 -0.320 20 0 DBADRM COC(=O)c1cnc(CCNC(=O)[C@@H](OC)C(=O)[O-])s1 ZINC001574095628 1026703257 /nfs/dbraw/zinc/70/32/57/1026703257.db2.gz SDONSKWNBSPSDQ-MRVPVSSYSA-N -1 0 302.308 -0.312 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)[C@H]2CCC(=O)O2)CC1 ZINC001574097451 1026703382 /nfs/dbraw/zinc/70/33/82/1026703382.db2.gz MSXWBJTZRHGWJA-SQFXPLBJSA-N -1 0 303.336 -0.484 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC001574104028 1026705075 /nfs/dbraw/zinc/70/50/75/1026705075.db2.gz DCKIJVJRTMUJLE-SNVBAGLBSA-N -1 0 316.335 -0.025 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC001574104452 1026705487 /nfs/dbraw/zinc/70/54/87/1026705487.db2.gz GPFBVXGCFRUBJD-SNVBAGLBSA-N -1 0 316.335 -0.011 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H](CCSC)C(=O)N(C)OC ZINC001574104895 1026705736 /nfs/dbraw/zinc/70/57/36/1026705736.db2.gz KOQJTAUPKMUKDI-JGVFFNPUSA-N -1 0 308.356 -0.656 20 0 DBADRM C[C@]1(CO)CN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)C[C@@]1(C)CO ZINC001574104398 1026705819 /nfs/dbraw/zinc/70/58/19/1026705819.db2.gz NWCFNOPOGXOBSZ-HONMWMINSA-N -1 0 315.370 -0.239 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001574105233 1026706333 /nfs/dbraw/zinc/70/63/33/1026706333.db2.gz NIYQYQUVTNKRAL-SNVBAGLBSA-N -1 0 316.335 -0.908 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCn1cnc(C(=O)[O-])c1 ZINC001574112728 1026706580 /nfs/dbraw/zinc/70/65/80/1026706580.db2.gz KXXBNCRZOUZPLB-UHFFFAOYSA-N -1 0 321.293 -0.550 20 0 DBADRM C[C@H]1C(=O)NCCCN1S(=O)(=O)Cc1cc(C(=O)[O-])no1 ZINC001574113484 1026706959 /nfs/dbraw/zinc/70/69/59/1026706959.db2.gz WDYZYMGGSLEQSV-ZETCQYMHSA-N -1 0 317.323 -0.587 20 0 DBADRM C[C@H]1C[C@@H](O)CN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001574112288 1026707061 /nfs/dbraw/zinc/70/70/61/1026707061.db2.gz JDXKXWWVGOESRP-HBNTYKKESA-N -1 0 306.384 -0.270 20 0 DBADRM Cc1c(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)nnn1-c1cnn(C)c1 ZINC001574113439 1026707688 /nfs/dbraw/zinc/70/76/88/1026707688.db2.gz PEISLLOFWXKWKI-SECBINFHSA-N -1 0 319.325 -0.209 20 0 DBADRM COC1([C@H](C)NC(=O)c2cn(CC(=O)[O-])nn2)CCOCC1 ZINC001574121855 1026709505 /nfs/dbraw/zinc/70/95/05/1026709505.db2.gz WUGHLRCCOZNVRL-VIFPVBQESA-N -1 0 312.326 -0.323 20 0 DBADRM COC(OC)C(=O)N1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001574122140 1026709659 /nfs/dbraw/zinc/70/96/59/1026709659.db2.gz XOFRTYCIFAONHU-VHSXEESVSA-N -1 0 314.338 -0.613 20 0 DBADRM Cc1c(NC(=O)[C@](C)(O)Cn2ccccc2=O)[nH]nc1C(=O)[O-] ZINC001574120361 1026709904 /nfs/dbraw/zinc/70/99/04/1026709904.db2.gz GMPXWRCEUCFXFF-CQSZACIVSA-N -1 0 320.305 -0.032 20 0 DBADRM COC(CNC(=O)[C@@H]1CC(C(=O)[O-])=NO1)(OC)c1ccccn1 ZINC001574122134 1026710181 /nfs/dbraw/zinc/71/01/81/1026710181.db2.gz XMKKOMBDOUOLNH-JTQLQIEISA-N -1 0 323.305 -0.127 20 0 DBADRM COC1(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CS(=O)(=O)C1 ZINC001574118719 1026710393 /nfs/dbraw/zinc/71/03/93/1026710393.db2.gz BIVKILACQRUVNK-VHSXEESVSA-N -1 0 317.363 -0.631 20 0 DBADRM Cc1cc(C(=O)NC2(CC(=O)[O-])COC2)ccc1-n1cnnn1 ZINC001574127085 1026711434 /nfs/dbraw/zinc/71/14/34/1026711434.db2.gz ISYVMDWLGIFWKD-UHFFFAOYSA-N -1 0 317.305 -0.056 20 0 DBADRM Cc1cc(CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)n(C)n1 ZINC001574136275 1026712762 /nfs/dbraw/zinc/71/27/62/1026712762.db2.gz ZIHMJHIXCMSBJP-KOLCDFICSA-N -1 0 311.342 -0.502 20 0 DBADRM Cc1cc(C)n2ccc(C(=O)N(CC(N)=O)CC(=O)[O-])c2n1 ZINC001574136410 1026713081 /nfs/dbraw/zinc/71/30/81/1026713081.db2.gz ZSYJBHHKUFQGIX-UHFFFAOYSA-N -1 0 304.306 -0.037 20 0 DBADRM Cc1cc(NC(=O)[C@@H]2CCCS2(=O)=O)n(CC(=O)[O-])n1 ZINC001574141721 1026713489 /nfs/dbraw/zinc/71/34/89/1026713489.db2.gz QODYMWVEKYUEPL-QMMMGPOBSA-N -1 0 301.324 -0.208 20 0 DBADRM Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)[C@@H](O)CC(=O)[O-] ZINC001574144377 1026714380 /nfs/dbraw/zinc/71/43/80/1026714380.db2.gz PENNNSQKFPSMDT-VIFPVBQESA-N -1 0 316.335 -0.275 20 0 DBADRM COCC[C@H](NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)C(=O)OC ZINC001574149590 1026714976 /nfs/dbraw/zinc/71/49/76/1026714976.db2.gz GJKBNLPGBSBIEP-VWYCJHECSA-N -1 0 317.338 -0.049 20 0 DBADRM COCCN(CCOC)C1CN(C(=O)[C@](C)(OC)C(=O)[O-])C1 ZINC001574163220 1026715102 /nfs/dbraw/zinc/71/51/02/1026715102.db2.gz ISWIZVGFXKLENK-AWEZNQCLSA-N -1 0 318.370 -0.718 20 0 DBADRM COCC[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)C(N)=O ZINC001574150744 1026715265 /nfs/dbraw/zinc/71/52/65/1026715265.db2.gz XFOPJATTWPYJJE-NSHDSACASA-N -1 0 310.306 -0.230 20 0 DBADRM COCOCCCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001574164085 1026715717 /nfs/dbraw/zinc/71/57/17/1026715717.db2.gz BIEJKKFERCWUDS-SNVBAGLBSA-N -1 0 302.327 -0.564 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CCc1nc(N(C)C)no1 ZINC001574149284 1026715948 /nfs/dbraw/zinc/71/59/48/1026715948.db2.gz BORIJSUGXIMXSW-UHFFFAOYSA-N -1 0 300.315 -0.372 20 0 DBADRM COCOCCCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001574164079 1026716697 /nfs/dbraw/zinc/71/66/97/1026716697.db2.gz BIEJKKFERCWUDS-JTQLQIEISA-N -1 0 302.327 -0.564 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN([C@@H](C)C(=O)Nc2ncccn2)CCO1 ZINC001574147212 1026716840 /nfs/dbraw/zinc/71/68/40/1026716840.db2.gz SBFRYUMDGUALTL-IINYFYTJSA-N -1 0 324.337 -0.394 20 0 DBADRM Cc1ccn(C[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])n1 ZINC001574173374 1026717372 /nfs/dbraw/zinc/71/73/72/1026717372.db2.gz YBNYQGVESWWDKW-INTQDDNPSA-N -1 0 310.354 -0.078 20 0 DBADRM Cc1ccn2ncc(C(=O)N[C@H]3CN(C(=O)[O-])C[C@@H]3CO)c2n1 ZINC001574172776 1026717423 /nfs/dbraw/zinc/71/74/23/1026717423.db2.gz LECGVHAXGLTBFL-KOLCDFICSA-N -1 0 319.321 -0.262 20 0 DBADRM Cc1cnn(CC(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)c1 ZINC001574179866 1026717992 /nfs/dbraw/zinc/71/79/92/1026717992.db2.gz LJRRRNDLSBXYMW-CHWSQXEVSA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1ccn(CC(=O)N[C@@H](C)c2nc(C(=O)[O-])n[nH]2)c(=O)c1 ZINC001574173287 1026718024 /nfs/dbraw/zinc/71/80/24/1026718024.db2.gz WSZFXPAYIJCNKA-QMMMGPOBSA-N -1 0 305.294 -0.150 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2C[C@H](O)C3(CC3)C2)c1C(=O)[O-] ZINC001574178232 1026718182 /nfs/dbraw/zinc/71/81/82/1026718182.db2.gz BGZMEFJXWIBNQO-ZETCQYMHSA-N -1 0 301.324 -0.438 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)NC2(CC(=O)[O-])COC2)c1 ZINC001574173632 1026718286 /nfs/dbraw/zinc/71/82/86/1026718286.db2.gz XRLGLHHCRLURRG-UHFFFAOYSA-N -1 0 301.324 -0.506 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC(=O)N(C)C[C@@H]2C)c1C(=O)[O-] ZINC001574178228 1026718480 /nfs/dbraw/zinc/71/84/80/1026718480.db2.gz AZCPLRJZOBSZJV-LURJTMIESA-N -1 0 316.339 -0.732 20 0 DBADRM Cc1cn2nc(C(=O)N[C@H]3CCN(C(=O)[O-])C3)cc2c(=O)[nH]1 ZINC001574173545 1026718579 /nfs/dbraw/zinc/71/85/79/1026718579.db2.gz VDTHCSZFHUKOMO-QMMMGPOBSA-N -1 0 305.294 -0.187 20 0 DBADRM Cc1cncn1CC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccncc1 ZINC001574180891 1026719120 /nfs/dbraw/zinc/71/91/20/1026719120.db2.gz XLDWTYXXBRZQMB-CHWSQXEVSA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H](CO)[C@@H]2CCOC2)c1C(=O)[O-] ZINC001574183012 1026719263 /nfs/dbraw/zinc/71/92/63/1026719263.db2.gz WKMTUEMQPILYEB-SFYZADRCSA-N -1 0 319.339 -0.908 20 0 DBADRM Cc1nc(C(=O)[O-])cc(N2CCC3(CC2)C[C@@H](O)CNC3=O)n1 ZINC001574180717 1026719669 /nfs/dbraw/zinc/71/96/69/1026719669.db2.gz LORJUWTYMLOYAG-SNVBAGLBSA-N -1 0 320.349 -0.049 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H](C)c2ncnn2C)c1C(=O)[O-] ZINC001574182673 1026719769 /nfs/dbraw/zinc/71/97/69/1026719769.db2.gz QHQJXFSFZDMPIT-ZCFIWIBFSA-N -1 0 314.327 -0.416 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H]2CCCN(C)C2=O)c1C(=O)[O-] ZINC001574181949 1026719878 /nfs/dbraw/zinc/71/98/78/1026719878.db2.gz GOMKOJUDXUGHGB-SSDOTTSWSA-N -1 0 316.339 -0.685 20 0 DBADRM Cc1nc(C(=O)N2C[C@H](C(=O)[O-])C3(COC3)C2)c(=O)[nH]c1C ZINC001574181582 1026720344 /nfs/dbraw/zinc/72/03/44/1026720344.db2.gz BKEBZBRJYRZKGF-SECBINFHSA-N -1 0 307.306 -0.440 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H]2C(=O)OCC2(C)C)c1C(=O)[O-] ZINC001574183135 1026720456 /nfs/dbraw/zinc/72/04/56/1026720456.db2.gz XPZBCBGSHOEFPV-SSDOTTSWSA-N -1 0 317.323 -0.354 20 0 DBADRM Cc1nc(C(=O)[O-])cc(N2CCC(CS(N)(=O)=O)CC2)n1 ZINC001574180729 1026720478 /nfs/dbraw/zinc/72/04/78/1026720478.db2.gz MDBAYMIJBSAASO-UHFFFAOYSA-N -1 0 314.367 -0.012 20 0 DBADRM Cc1nc(SCC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)n[nH]1 ZINC001574181672 1026720551 /nfs/dbraw/zinc/72/05/51/1026720551.db2.gz DJPJMDBUPCXXHF-YUMQZZPRSA-N -1 0 315.355 -0.708 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@](C)(O)C2CC2)c1C(=O)[O-] ZINC001574182987 1026720663 /nfs/dbraw/zinc/72/06/63/1026720663.db2.gz VIBRGFYHESGJBV-NSHDSACASA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1nc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])nn1-c1nc[nH]n1 ZINC001574182495 1026720748 /nfs/dbraw/zinc/72/07/48/1026720748.db2.gz NVSRKFALWIPDCN-YIZRAAEISA-N -1 0 317.309 -0.228 20 0 DBADRM Cc1nc(C(=O)NC[C@H](O)CS(C)(=O)=O)ccc1C(=O)[O-] ZINC001574180492 1026720759 /nfs/dbraw/zinc/72/07/59/1026720759.db2.gz JIMRFJZDRYCUKK-QMMMGPOBSA-N -1 0 316.335 -0.776 20 0 DBADRM Cc1nc([C@H](C)NC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)no1 ZINC001574186960 1026720817 /nfs/dbraw/zinc/72/08/17/1026720817.db2.gz DDISETFGNQSIPH-ZQARSLAVSA-N -1 0 313.314 -0.291 20 0 DBADRM Cc1nc2n(n1)C[C@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)CC2 ZINC001574194166 1026722341 /nfs/dbraw/zinc/72/23/41/1026722341.db2.gz YQTDDVSBFZLRQU-SECBINFHSA-N -1 0 314.367 -0.172 20 0 DBADRM Cc1nc(CCC(=O)[O-])cc(N(C)CCNS(C)(=O)=O)n1 ZINC001574188131 1026723241 /nfs/dbraw/zinc/72/32/41/1026723241.db2.gz QFUHQCFQOPBVIW-UHFFFAOYSA-N -1 0 316.383 -0.212 20 0 DBADRM Cc1nocc1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001574205393 1026724037 /nfs/dbraw/zinc/72/40/37/1026724037.db2.gz INZPHWKTAWCEEX-RNFRBKRXSA-N -1 0 305.312 -0.761 20 0 DBADRM Cn1cc(C(=O)Nc2ncc(CC(=O)[O-])s2)c(=O)[nH]c1=O ZINC001574211419 1026725963 /nfs/dbraw/zinc/72/59/63/1026725963.db2.gz IDPRQMUZSAOFAA-UHFFFAOYSA-N -1 0 310.291 -0.178 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)CCC(=O)N2CCOCC2)n1 ZINC001574211240 1026726308 /nfs/dbraw/zinc/72/63/08/1026726308.db2.gz FAGSFIGRBUQSDC-UHFFFAOYSA-N -1 0 310.310 -0.304 20 0 DBADRM Cc1occc(=O)c1OCC(=O)NCc1nc(C(=O)[O-])n[nH]1 ZINC001574207923 1026726427 /nfs/dbraw/zinc/72/64/27/1026726427.db2.gz HPJYKTAZPQQBIG-UHFFFAOYSA-N -1 0 308.250 -0.540 20 0 DBADRM C[C@@H](NC(=O)C1=NC(=O)C(C)S1)C(=O)N[C@@H](C)C(=O)[O-] ZINC001574208265 1026726791 /nfs/dbraw/zinc/72/67/91/1026726791.db2.gz YDQFOXLXDCVZSN-UHNVWZDZSA-N -1 0 301.324 -0.135 20 0 DBADRM Cn1cc(CNC(=O)[C@@H]2CSCN2C(=O)[O-])c(=O)[nH]c1=O ZINC001574211743 1026727187 /nfs/dbraw/zinc/72/71/87/1026727187.db2.gz FAZZJMROYRNIJS-ZETCQYMHSA-N -1 0 314.323 -0.845 20 0 DBADRM Cn1cc(CCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)nn1 ZINC001574211508 1026727203 /nfs/dbraw/zinc/72/72/03/1026727203.db2.gz CWKXHKFZULDCIX-CHWSQXEVSA-N -1 0 319.321 -0.554 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@@H]2c2n[nH]nc2C(=O)[O-])n(C)c1=O ZINC001574212522 1026728270 /nfs/dbraw/zinc/72/82/70/1026728270.db2.gz WRSQUYASNQBLTM-SSDOTTSWSA-N -1 0 320.309 -0.483 20 0 DBADRM Cn1cc(C[C@@H](CO)NS(=O)(=O)C2(C(=O)[O-])CCC2)cn1 ZINC001574213057 1026728455 /nfs/dbraw/zinc/72/84/55/1026728455.db2.gz UYUJSPNZYBBAOQ-JTQLQIEISA-N -1 0 317.367 -0.750 20 0 DBADRM Cn1cc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)c(C(N)=O)n1 ZINC001574213883 1026729355 /nfs/dbraw/zinc/72/93/55/1026729355.db2.gz XRTDKORGPAWXSD-MRVPVSSYSA-N -1 0 309.326 -0.746 20 0 DBADRM Cn1cc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1C(=O)[O-] ZINC001574219976 1026729499 /nfs/dbraw/zinc/72/94/99/1026729499.db2.gz HRXWUHOXCANVIU-VXNVDRBHSA-N -1 0 317.323 -0.997 20 0 DBADRM Cn1cnc(C(=O)N2CCC[C@H]2c2n[nH]nc2C(=O)[O-])cc1=O ZINC001574220765 1026730425 /nfs/dbraw/zinc/73/04/25/1026730425.db2.gz HOSYHYPKFSMNTR-QMMMGPOBSA-N -1 0 318.293 -0.426 20 0 DBADRM Cn1cc(S(=O)(=O)NCC2(C(=O)[O-])CCC2)c(=O)[nH]c1=O ZINC001574220310 1026730512 /nfs/dbraw/zinc/73/05/12/1026730512.db2.gz NEFJFEMNSYTGMM-UHFFFAOYSA-N -1 0 317.323 -0.981 20 0 DBADRM Cn1cnn(CCC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)c1=O ZINC001574221795 1026730606 /nfs/dbraw/zinc/73/06/06/1026730606.db2.gz ZJVGAFARLLFZNQ-SECBINFHSA-N -1 0 310.232 -0.506 20 0 DBADRM Cn1cccc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccncc2)c1=O ZINC001574224956 1026730681 /nfs/dbraw/zinc/73/06/81/1026730681.db2.gz SUFOECYQPYGRKR-VXGBXAGGSA-N -1 0 317.301 -0.303 20 0 DBADRM Cn1cnnc1S(=O)(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001574220689 1026731165 /nfs/dbraw/zinc/73/11/65/1026731165.db2.gz FYIDWCPTKDMVTR-JTQLQIEISA-N -1 0 310.335 -0.038 20 0 DBADRM Cn1cc(S(=O)(=O)NC2CC(CO)(CO)C2)cc1C(=O)[O-] ZINC001574221124 1026731608 /nfs/dbraw/zinc/73/16/08/1026731608.db2.gz WURBZKGXXIETNP-UHFFFAOYSA-N -1 0 318.351 -0.865 20 0 DBADRM Cn1nc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)ccc1=O ZINC001574226637 1026732354 /nfs/dbraw/zinc/73/23/54/1026732354.db2.gz NDLAGGDFASDTNC-VXGBXAGGSA-N -1 0 318.289 -0.908 20 0 DBADRM Cn1ncc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccncc2)c1N ZINC001574226501 1026732740 /nfs/dbraw/zinc/73/27/40/1026732740.db2.gz ICWJGKKGANEDCL-VHSXEESVSA-N -1 0 305.294 -0.686 20 0 DBADRM Cn1nnnc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC001574228735 1026733076 /nfs/dbraw/zinc/73/30/76/1026733076.db2.gz OKPIUIQKMRGTEC-JTQLQIEISA-N -1 0 304.310 -0.295 20 0 DBADRM Cn1ncc(C(=O)N[C@H](CC2CC2)C(=O)[O-])c1-n1cnnc1 ZINC001574226426 1026733469 /nfs/dbraw/zinc/73/34/69/1026733469.db2.gz FYJSOZMZWTYLDB-SNVBAGLBSA-N -1 0 304.310 -0.016 20 0 DBADRM NC(=O)C1CCC(NS(=O)(=O)C2(CC(=O)[O-])CC2)CC1 ZINC001574247120 1026734692 /nfs/dbraw/zinc/73/46/92/1026734692.db2.gz AAIRRAUJPKHXTQ-UHFFFAOYSA-N -1 0 304.368 -0.043 20 0 DBADRM COc1ccnc(N(C)C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001574238079 1026735294 /nfs/dbraw/zinc/73/52/94/1026735294.db2.gz HVRLRNSUUPYJKQ-VIFPVBQESA-N -1 0 322.321 -0.229 20 0 DBADRM CS(=O)(=O)Cc1nc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)co1 ZINC001574241893 1026735449 /nfs/dbraw/zinc/73/54/49/1026735449.db2.gz HOXCLMTWZXTLLY-KNVOCYPGSA-N -1 0 302.308 -0.188 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cn1 ZINC001574247505 1026735664 /nfs/dbraw/zinc/73/56/64/1026735664.db2.gz DEFARNJCUREUHT-SECBINFHSA-N -1 0 314.319 -0.589 20 0 DBADRM NC(=O)[C@H](CNC(=O)[C@@H](O)CC(=O)[O-])Cc1ccc(F)cc1 ZINC001574249523 1026736759 /nfs/dbraw/zinc/73/67/59/1026736759.db2.gz WUDFINWLJQHPLQ-ONGXEEELSA-N -1 0 312.297 -0.579 20 0 DBADRM NC(=O)C[C@@H]1COCCN1C(=O)CC1(C(=O)[O-])CCOCC1 ZINC001574249444 1026736883 /nfs/dbraw/zinc/73/68/83/1026736883.db2.gz PNEIJPVIIRTMFW-SNVBAGLBSA-N -1 0 314.338 -0.639 20 0 DBADRM NS(=O)(=O)N1CCN(Cc2cnc(C(=O)[O-])s2)CC1 ZINC001574280998 1026748273 /nfs/dbraw/zinc/74/82/73/1026748273.db2.gz SVAOIGKGNKRXII-UHFFFAOYSA-N -1 0 306.369 -0.838 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)nn1 ZINC001574250466 1026739263 /nfs/dbraw/zinc/73/92/63/1026739263.db2.gz DEVKZHCVZJPDRU-ZETCQYMHSA-N -1 0 314.323 -0.182 20 0 DBADRM CS(=O)(=O)c1ccnc(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001574250454 1026739431 /nfs/dbraw/zinc/73/94/31/1026739431.db2.gz CRVAZVNHVHLMJT-UFBFGSQYSA-N -1 0 313.335 -0.583 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)c1ccc2c(c1)COC(=O)N2 ZINC001574255123 1026740964 /nfs/dbraw/zinc/74/09/64/1026740964.db2.gz RACORZDFIQGNJD-UHFFFAOYSA-N -1 0 307.262 -0.239 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C2CC2)C(F)(F)C(=O)[O-])O1 ZINC001574256705 1026742131 /nfs/dbraw/zinc/74/21/31/1026742131.db2.gz JDVGJYKBOHMKIB-RNJXMRFFSA-N -1 0 306.265 -0.366 20 0 DBADRM NC(=O)c1ccc(C(=O)N2C[C@H](C(=O)[O-])C3(COC3)C2)cn1 ZINC001574258885 1026742345 /nfs/dbraw/zinc/74/23/45/1026742345.db2.gz AIARZYBSRAWPTC-SECBINFHSA-N -1 0 305.290 -0.646 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C2CC2)C(F)(F)C(=O)[O-])O1 ZINC001574256706 1026742595 /nfs/dbraw/zinc/74/25/95/1026742595.db2.gz JDVGJYKBOHMKIB-XLPZGREQSA-N -1 0 306.265 -0.366 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)Cc1cn2cc(F)ccc2n1 ZINC001574255514 1026742683 /nfs/dbraw/zinc/74/26/83/1026742683.db2.gz ZZKQXOGWSAZMKH-UHFFFAOYSA-N -1 0 308.269 -0.586 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)C1 ZINC001574256456 1026743149 /nfs/dbraw/zinc/74/31/49/1026743149.db2.gz DRTLLPNDKUKCBK-DMWPJOQESA-N -1 0 321.333 -0.414 20 0 DBADRM NC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC001574256329 1026743387 /nfs/dbraw/zinc/74/33/87/1026743387.db2.gz CJFWNEUBEJBQCZ-YUMQZZPRSA-N -1 0 302.356 -0.444 20 0 DBADRM NC(=O)c1nccnc1C(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC001574261708 1026745383 /nfs/dbraw/zinc/74/53/83/1026745383.db2.gz DFVWVQJMUXFEFR-CYBMUJFWSA-N -1 0 308.294 -0.813 20 0 DBADRM NS(=O)(=O)C1CN(CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001574280684 1026748244 /nfs/dbraw/zinc/74/82/44/1026748244.db2.gz OUYROWFWHCIDMA-UHFFFAOYSA-N -1 0 313.335 -0.704 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001574280407 1026748556 /nfs/dbraw/zinc/74/85/56/1026748556.db2.gz NQFWEWGIHLKLLV-LPEHRKFASA-N -1 0 304.368 -0.376 20 0 DBADRM Nc1nnn(CC(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)n1 ZINC001574292287 1026749294 /nfs/dbraw/zinc/74/92/94/1026749294.db2.gz ZDSICGJYNGIBMX-CYBMUJFWSA-N -1 0 302.294 -0.702 20 0 DBADRM Nc1nnc(CC(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])s1 ZINC001574291356 1026749748 /nfs/dbraw/zinc/74/97/48/1026749748.db2.gz GHTYHNWUXHQKQD-NKWVEPMBSA-N -1 0 300.340 -0.199 20 0 DBADRM O=C([O-])CC1(S(=O)(=O)NC[C@H]2CCCS2(=O)=O)CC1 ZINC001574365288 1026773371 /nfs/dbraw/zinc/77/33/71/1026773371.db2.gz SWJUANLRNKVUKW-MRVPVSSYSA-N -1 0 311.381 -0.510 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)N[C@@H](C(=O)[O-])C2CC2)c1 ZINC001574291448 1026750809 /nfs/dbraw/zinc/75/08/09/1026750809.db2.gz HPEIWTJQBXIUCV-SNVBAGLBSA-N -1 0 302.294 -0.332 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c1 ZINC001574291844 1026750831 /nfs/dbraw/zinc/75/08/31/1026750831.db2.gz OWJYSOCWXXPJGN-SNVBAGLBSA-N -1 0 314.305 -0.022 20 0 DBADRM Nc1nnn(CC(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)n1 ZINC001574292275 1026751102 /nfs/dbraw/zinc/75/11/02/1026751102.db2.gz YIHVGTBSQBNCRV-UHFFFAOYSA-N -1 0 308.273 -0.492 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCCn1cncn1)[C@H](O)c1ccncc1 ZINC001574294001 1026752157 /nfs/dbraw/zinc/75/21/57/1026752157.db2.gz SRAZVLHZCDTEHM-QWHCGFSZSA-N -1 0 319.321 -0.244 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)C[C@@H]2C=CS(=O)(=O)C2)n1 ZINC001574293136 1026753660 /nfs/dbraw/zinc/75/36/60/1026753660.db2.gz VLDUCVATNKMNLC-LURJTMIESA-N -1 0 300.296 -0.933 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCCC1=O)[C@@H](O)c1ccncc1 ZINC001574299535 1026753924 /nfs/dbraw/zinc/75/39/24/1026753924.db2.gz NCJFEEOWBVIHMH-STQMWFEESA-N -1 0 307.306 -0.693 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCOCC1)[C@H](O)c1ccncc1 ZINC001574300126 1026755285 /nfs/dbraw/zinc/75/52/85/1026755285.db2.gz BRRHMVMVDDWQOL-CHWSQXEVSA-N -1 0 309.322 -0.983 20 0 DBADRM O=C(COCc1cc[nH]c(=O)c1)NCc1nc(C(=O)[O-])n[nH]1 ZINC001574302873 1026755368 /nfs/dbraw/zinc/75/53/68/1026755368.db2.gz RIICYHSUAZKDMZ-UHFFFAOYSA-N -1 0 307.266 -0.564 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)CSc2nncs2)[C@@H](CO)C1 ZINC001574302860 1026755470 /nfs/dbraw/zinc/75/54/70/1026755470.db2.gz QSJRFXKAYRDKKA-RQJHMYQMSA-N -1 0 318.380 -0.283 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCOC1=O)[C@H](O)c1ccncc1 ZINC001574300154 1026755571 /nfs/dbraw/zinc/75/55/71/1026755571.db2.gz DSLHESDYVIZNIN-WDEREUQCSA-N -1 0 309.278 -0.863 20 0 DBADRM O=C(Cc1[nH]nc2c1CCCC2)NCc1nc(C(=O)[O-])n[nH]1 ZINC001574302464 1026755605 /nfs/dbraw/zinc/75/56/05/1026755605.db2.gz YFTGAQAZBQWMNN-UHFFFAOYSA-N -1 0 304.310 -0.036 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)Cc2nc3ncccn3n2)CCCOC1 ZINC001574301850 1026755679 /nfs/dbraw/zinc/75/56/79/1026755679.db2.gz JYLZOYBLCCTDHR-CQSZACIVSA-N -1 0 319.321 -0.336 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CC1C(=O)N=CNC1=O ZINC001574302188 1026755686 /nfs/dbraw/zinc/75/56/86/1026755686.db2.gz CQYSKAHQNNVTNR-SNVBAGLBSA-N -1 0 318.289 -0.363 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)Cc1nc2ncccn2n1 ZINC001574301895 1026755828 /nfs/dbraw/zinc/75/58/28/1026755828.db2.gz MLSFUKOEQAOWFT-ZJUUUORDSA-N -1 0 319.321 -0.195 20 0 DBADRM O=C([O-])C1(NC(=O)c2cnn(C[C@H](O)CO)c2)CCCCC1 ZINC001574310460 1026756870 /nfs/dbraw/zinc/75/68/70/1026756870.db2.gz UDOKEJAYGJSDOG-NSHDSACASA-N -1 0 311.338 -0.246 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cn(C2CC2)nn1)[C@H](O)c1ccncc1 ZINC001574308093 1026757087 /nfs/dbraw/zinc/75/70/87/1026757087.db2.gz FUHMFCDFJMFCAZ-NWDGAFQWSA-N -1 0 317.305 -0.075 20 0 DBADRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)c1cccn2nnnc12 ZINC001574309686 1026757162 /nfs/dbraw/zinc/75/71/62/1026757162.db2.gz ZFTKYQYCFYVSER-PSASIEDQSA-N -1 0 305.294 -0.124 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1cnn(CCO)c1 ZINC001574309736 1026757714 /nfs/dbraw/zinc/75/77/14/1026757714.db2.gz FWGIMIGKLXQYGJ-LBPRGKRZSA-N -1 0 304.306 -0.304 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1ccn2nnnc2c1 ZINC001574308111 1026757744 /nfs/dbraw/zinc/75/77/44/1026757744.db2.gz FYUPEHCGTJGHGY-ZJUUUORDSA-N -1 0 305.294 -0.124 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1cccn2nnnc12 ZINC001574309694 1026757755 /nfs/dbraw/zinc/75/77/55/1026757755.db2.gz ZFTKYQYCFYVSER-WPRPVWTQSA-N -1 0 305.294 -0.124 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)N[C@@H](CO)CC1OCCO1 ZINC001574309978 1026758067 /nfs/dbraw/zinc/75/80/67/1026758067.db2.gz KKTOTYRJMRQNKC-SFYZADRCSA-N -1 0 306.340 -0.721 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cc(=O)[nH]cn1)[C@@H](O)c1ccncc1 ZINC001574307809 1026758185 /nfs/dbraw/zinc/75/81/85/1026758185.db2.gz BZPZIOSPPXHYGJ-QWRGUYRKSA-N -1 0 304.262 -0.506 20 0 DBADRM O=S(=O)(C=C([O-])N=S1(=O)CCNCC1)C1CCCC1 ZINC001574303083 1026758263 /nfs/dbraw/zinc/75/82/63/1026758263.db2.gz ZCBBHZORUMGDPK-UHFFFAOYSA-N -1 0 308.425 -0.058 20 0 DBADRM O=C([O-])C1(NC(=O)c2cnn(C[C@@H](O)CO)c2)CCCCC1 ZINC001574310459 1026758291 /nfs/dbraw/zinc/75/82/91/1026758291.db2.gz UDOKEJAYGJSDOG-LLVKDONJSA-N -1 0 311.338 -0.246 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2noc3c2COCC3)C1 ZINC001574311445 1026758625 /nfs/dbraw/zinc/75/86/25/1026758625.db2.gz IGFKONJPDYUWNK-CBAPKCEASA-N -1 0 311.294 -0.552 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2cnn3ncccc23)C1 ZINC001574311918 1026758703 /nfs/dbraw/zinc/75/87/03/1026758703.db2.gz QQHVBYHNDUPFSJ-PSASIEDQSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)c2nc3ncc(CCO)cn3n2)C1 ZINC001574313469 1026758785 /nfs/dbraw/zinc/75/87/85/1026758785.db2.gz CLQUSMJIODMTAS-SECBINFHSA-N -1 0 320.309 -0.859 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2csc(CO)n2)C1 ZINC001574311171 1026759154 /nfs/dbraw/zinc/75/91/54/1026759154.db2.gz FCYYTOQEHXHIEI-NKWVEPMBSA-N -1 0 301.324 -0.664 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2c[nH]cc(Cl)c2=O)C1 ZINC001574311707 1026759393 /nfs/dbraw/zinc/75/93/93/1026759393.db2.gz NLCNHILKESCHEE-HZGVNTEJSA-N -1 0 315.713 -0.271 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2noc3c2COCC3)C1 ZINC001574311449 1026759434 /nfs/dbraw/zinc/75/94/34/1026759434.db2.gz IGFKONJPDYUWNK-VXNVDRBHSA-N -1 0 311.294 -0.552 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1 ZINC001574311550 1026759562 /nfs/dbraw/zinc/75/95/62/1026759562.db2.gz KGWWVSDXOFHIKF-GARJFASQSA-N -1 0 313.354 -0.032 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001574312194 1026759799 /nfs/dbraw/zinc/75/97/99/1026759799.db2.gz XBYNTCMWLDTTOA-UBHAPETDSA-N -1 0 308.338 -0.399 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2ncc(Cl)cn2)C1 ZINC001574311768 1026759812 /nfs/dbraw/zinc/75/98/12/1026759812.db2.gz PMDOLHIVEGRWAN-HTRCEHHLSA-N -1 0 300.702 -0.170 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001574311909 1026759881 /nfs/dbraw/zinc/75/98/81/1026759881.db2.gz QJJGDZPIVRHJMD-PTOFAABTSA-N -1 0 308.338 -0.399 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2noc3c2COCC3)C1 ZINC001574311447 1026759960 /nfs/dbraw/zinc/75/99/60/1026759960.db2.gz IGFKONJPDYUWNK-IONNQARKSA-N -1 0 311.294 -0.552 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)NCCS(=O)(=O)NC2CC2)C1 ZINC001574323912 1026760550 /nfs/dbraw/zinc/76/05/50/1026760550.db2.gz RGAPNYCIIROEAO-SNVBAGLBSA-N -1 0 317.367 -0.459 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)CCC1 ZINC001574322123 1026760802 /nfs/dbraw/zinc/76/08/02/1026760802.db2.gz LQEIGLJUYCLTFX-QWRGUYRKSA-N -1 0 320.349 -0.213 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)NCCc2cccnc2)C1 ZINC001574323693 1026761315 /nfs/dbraw/zinc/76/13/15/1026761315.db2.gz PDBDSTPKBCYNBH-RYUDHWBXSA-N -1 0 308.338 -0.106 20 0 DBADRM O=C([O-])[C@@H](F)C1CN(C(=O)CNC(=O)c2ncccc2O)C1 ZINC001574322601 1026762025 /nfs/dbraw/zinc/76/20/25/1026762025.db2.gz RUHQAEKNNSRVOJ-JTQLQIEISA-N -1 0 311.269 -0.602 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)NC[C@]2(OCCO)CCOC2)C1 ZINC001574322408 1026762327 /nfs/dbraw/zinc/76/23/27/1026762327.db2.gz QFROXASOZCZKHL-BXUZGUMPSA-N -1 0 314.338 -0.373 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)NCCc2ccncc2)[C@@H](CO)C1 ZINC001574323980 1026763616 /nfs/dbraw/zinc/76/36/16/1026763616.db2.gz YAHPWRJBUGICRD-NEPJUHHUSA-N -1 0 308.338 -0.106 20 0 DBADRM O=C([O-])[C@@H](F)C1CN(C(=O)NCc2nnnn2CC2CC2)C1 ZINC001574345495 1026763931 /nfs/dbraw/zinc/76/39/31/1026763931.db2.gz NAEILOKHJKFQBN-JTQLQIEISA-N -1 0 312.305 -0.353 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)NCCc2ccncc2)C1 ZINC001574323982 1026764511 /nfs/dbraw/zinc/76/45/11/1026764511.db2.gz YAHPWRJBUGICRD-RYUDHWBXSA-N -1 0 308.338 -0.106 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001574333713 1026764943 /nfs/dbraw/zinc/76/49/43/1026764943.db2.gz IKBUGIOSKHIJAN-QMMMGPOBSA-N -1 0 318.293 -0.610 20 0 DBADRM O=C([O-])[C@H]1CCC[N@H+](CC(=O)N2CCO[C@@H]3COCC[C@@H]32)C1 ZINC001574355479 1026765490 /nfs/dbraw/zinc/76/54/90/1026765490.db2.gz DGLDMOINFZBVRJ-RWMBFGLXSA-N -1 0 312.366 -0.201 20 0 DBADRM O=C([O-])[C@@H](F)C1CN(C(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001574351927 1026765720 /nfs/dbraw/zinc/76/57/20/1026765720.db2.gz AZPYLJOEAAKSRH-ZETCQYMHSA-N -1 0 308.216 -0.686 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC001574352924 1026766005 /nfs/dbraw/zinc/76/60/05/1026766005.db2.gz ZDIIRPGBYQBYKB-QMMMGPOBSA-N -1 0 311.381 -0.652 20 0 DBADRM O=C([O-])[C@H]1CCC[N@H+](CC(=O)N2CC[C@H](c3nnn[n-]3)C2)C1 ZINC001574355448 1026766181 /nfs/dbraw/zinc/76/61/81/1026766181.db2.gz CTIMZCQGADWJJP-UWVGGRQHSA-N -1 0 308.342 -0.688 20 0 DBADRM O=C([O-])[C@H]1c2ccoc2CCN1S(=O)(=O)[C@@H]1COC[C@H]1O ZINC001574356124 1026767884 /nfs/dbraw/zinc/76/78/84/1026767884.db2.gz BCEJOGKOTVRKQH-FBIMIBRVSA-N -1 0 317.319 -0.647 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NC[C@H](O)c1cncs1 ZINC001574355921 1026768870 /nfs/dbraw/zinc/76/88/70/1026768870.db2.gz SKUCMEAPJLXJMS-SFYZADRCSA-N -1 0 321.380 -0.440 20 0 DBADRM O=C([O-])C[C@@H](CO)NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2O ZINC001574358818 1026768897 /nfs/dbraw/zinc/76/88/97/1026768897.db2.gz ZEARPQJUTKHBTE-CPCISQLKSA-N -1 0 310.306 -0.278 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001574356083 1026769325 /nfs/dbraw/zinc/76/93/25/1026769325.db2.gz YCPCVBPRNYUUIC-LMLFDSFASA-N -1 0 304.368 -0.517 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cc3n(n2)CCC[C@@H]3O)CC12COC2 ZINC001574356193 1026769393 /nfs/dbraw/zinc/76/93/93/1026769393.db2.gz ZUDCCNKZHTXRLP-SKDRFNHKSA-N -1 0 321.333 -0.117 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001574356063 1026769552 /nfs/dbraw/zinc/76/95/52/1026769552.db2.gz ATYXMPVSINOZOF-FSDSQADBSA-N -1 0 312.244 -0.747 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC001574355828 1026769716 /nfs/dbraw/zinc/76/97/16/1026769716.db2.gz OOXBMDLWQSCEJD-CMPLNLGQSA-N -1 0 304.368 -0.516 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@H]1CCC2(C1)OCCO2 ZINC001574355706 1026769748 /nfs/dbraw/zinc/76/97/48/1026769748.db2.gz INDAJDIWQQXJEP-UWVGGRQHSA-N -1 0 320.367 -0.335 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC001574362725 1026770987 /nfs/dbraw/zinc/77/09/87/1026770987.db2.gz VOPMVHPTUAGEDU-GXSJLCMTSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC001574363368 1026771059 /nfs/dbraw/zinc/77/10/59/1026771059.db2.gz PFUGPXQXBIHVEI-WCBMZHEXSA-N -1 0 313.331 -0.491 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC001574361350 1026771121 /nfs/dbraw/zinc/77/11/21/1026771121.db2.gz GUHGAWNEVVIONI-VHSXEESVSA-N -1 0 305.352 -0.752 20 0 DBADRM O=C([O-])CC1(NC(=O)c2cccc(-n3cncn3)n2)COC1 ZINC001574364857 1026771531 /nfs/dbraw/zinc/77/15/31/1026771531.db2.gz JREBQJUMUKRVTE-UHFFFAOYSA-N -1 0 303.278 -0.364 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCC1N=NC(=O)N1C1CC1 ZINC001574362291 1026771553 /nfs/dbraw/zinc/77/15/53/1026771553.db2.gz QADVAEBDBWEJST-UHFFFAOYSA-N -1 0 304.328 -0.397 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001574363366 1026771632 /nfs/dbraw/zinc/77/16/32/1026771632.db2.gz PFUGPXQXBIHVEI-PSASIEDQSA-N -1 0 313.331 -0.491 20 0 DBADRM O=C([O-])Cn1cccc(NC(=O)N[C@H]2CC23CC(O)C3)c1=O ZINC001574374938 1026772394 /nfs/dbraw/zinc/77/23/94/1026772394.db2.gz BOIXAYYGDHTQNL-CFEOFWIRSA-N -1 0 307.306 -0.032 20 0 DBADRM O=C([O-])Cc1cnc(NC(=O)N2C[C@@H](O)C[C@H]2CO)s1 ZINC001574371032 1026772473 /nfs/dbraw/zinc/77/24/73/1026772473.db2.gz GLPJZVNXUXQJDC-BQBZGAKWSA-N -1 0 301.324 -0.270 20 0 DBADRM O=C([O-])CNC(=O)C1CCN(CC(=O)Nc2ccncc2)CC1 ZINC001574372401 1026772670 /nfs/dbraw/zinc/77/26/70/1026772670.db2.gz PZFJMVMVJACATN-UHFFFAOYSA-N -1 0 320.349 -0.645 20 0 DBADRM O=C([O-])CS[C@@H](CNC(=O)C1(O)COC1)C(F)(F)F ZINC001574371688 1026772700 /nfs/dbraw/zinc/77/27/00/1026772700.db2.gz ITELXXBLOKUKQM-YFKPBYRVSA-N -1 0 303.258 -0.387 20 0 DBADRM O=C([O-])CCS(=O)(=O)NCc1nnc(-c2ccncc2)[nH]1 ZINC001574367807 1026772913 /nfs/dbraw/zinc/77/29/13/1026772913.db2.gz DDQJKENZQOZPHE-UHFFFAOYSA-N -1 0 311.323 -0.239 20 0 DBADRM O=C([O-])CC1(S(=O)(=O)N2CCc3c(=O)[nH]cnc3C2)CC1 ZINC001574365277 1026773021 /nfs/dbraw/zinc/77/30/21/1026773021.db2.gz SPUJCNMLMMTDBK-UHFFFAOYSA-N -1 0 313.335 -0.123 20 0 DBADRM O=C([O-])CCNC(=O)[C@@H](CO)NC(=O)OCc1ccccc1 ZINC001574368045 1026773102 /nfs/dbraw/zinc/77/31/02/1026773102.db2.gz IJMOMTMRSHTHNK-LLVKDONJSA-N -1 0 310.306 -0.135 20 0 DBADRM O=C([O-])N1CCN(S(=O)(=O)N2CCC[C@@H]3COC[C@@H]32)CC1 ZINC001574376323 1026774531 /nfs/dbraw/zinc/77/45/31/1026774531.db2.gz CPXSBWYVDPGRBW-MNOVXSKESA-N -1 0 319.383 -0.362 20 0 DBADRM O=C([O-])Cn1cccc(NC(=O)N2CC[C@H](O)[C@H](F)C2)c1=O ZINC001574375324 1026774674 /nfs/dbraw/zinc/77/46/74/1026774674.db2.gz KYCSUTXDOKTSKY-SCZZXKLOSA-N -1 0 313.285 -0.131 20 0 DBADRM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)CCN1CCCS1(=O)=O ZINC001574398633 1026777529 /nfs/dbraw/zinc/77/75/29/1026777529.db2.gz HFXMYWRQERJYSB-UMNHJUIQSA-N -1 0 316.379 -0.124 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001574393895 1026777761 /nfs/dbraw/zinc/77/77/61/1026777761.db2.gz GHKCKENSOQNNRH-OPRDCNLKSA-N -1 0 316.321 -0.460 20 0 DBADRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001574381064 1026778768 /nfs/dbraw/zinc/77/87/68/1026778768.db2.gz SEVWURNUOAKHHE-XQQFMLRXSA-N -1 0 308.334 -0.181 20 0 DBADRM O=C([O-])c1n[nH]c(NC(=O)[C@H]2CCS(=O)(=O)N2)c1C1CC1 ZINC001574406014 1026780181 /nfs/dbraw/zinc/78/01/81/1026780181.db2.gz RISJSLPOOQDUFD-ZCFIWIBFSA-N -1 0 314.323 -0.385 20 0 DBADRM O=C([O-])c1nc[nH]c1CNS(=O)(=O)C[C@@H]1CCCOC1 ZINC001574406024 1026780960 /nfs/dbraw/zinc/78/09/60/1026780960.db2.gz RQFZPWIHQAUJPP-MRVPVSSYSA-N -1 0 303.340 -0.046 20 0 DBADRM O=C([O-])c1cc(CNC(=O)N2CC(N3CCCC3=O)C2)on1 ZINC001574408100 1026781323 /nfs/dbraw/zinc/78/13/23/1026781323.db2.gz GLBBLPLJWJGGBY-UHFFFAOYSA-N -1 0 308.294 -0.111 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1C[C@H](CO)[C@H](CO)C1 ZINC001574415948 1026781913 /nfs/dbraw/zinc/78/19/13/1026781913.db2.gz ZBNWLMBSSKLCJW-AOOOYVTPSA-N -1 0 315.347 -0.394 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@H]1CCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001574423125 1026783078 /nfs/dbraw/zinc/78/30/78/1026783078.db2.gz IWCYUJQWGBSZKA-SSDOTTSWSA-N -1 0 304.266 -0.024 20 0 DBADRM Cc1nc([C@H](C)NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)no1 ZINC001574417206 1026783148 /nfs/dbraw/zinc/78/31/48/1026783148.db2.gz KOYHZSLPVRHOBR-CBAPKCEASA-N -1 0 310.310 -0.122 20 0 DBADRM O=C([O-])c1cnn2cc(CN3CCN4CCOC[C@@H]4C3)cnc12 ZINC001574422785 1026783369 /nfs/dbraw/zinc/78/33/69/1026783369.db2.gz MRSPBJBATIRVOA-LBPRGKRZSA-N -1 0 317.349 -0.056 20 0 DBADRM O=C([O-])c1noc(CN2CCC3(CC2)C[C@H](O)CNC3=O)n1 ZINC001574429380 1026784587 /nfs/dbraw/zinc/78/45/87/1026784587.db2.gz NFGJAFLEJNQMNT-QMMMGPOBSA-N -1 0 310.310 -0.769 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@@H]1CCCN1C(=O)C[C@H]1CCC(=O)N1 ZINC001574430736 1026784805 /nfs/dbraw/zinc/78/48/05/1026784805.db2.gz MKZBBNADFNCSRD-SFYZADRCSA-N -1 0 307.310 -0.165 20 0 DBADRM Cc1nc(S(=O)(=O)NCCOCCOCC(=O)[O-])cn1C ZINC001574423896 1026784975 /nfs/dbraw/zinc/78/49/75/1026784975.db2.gz HZEZJDKMYWEIAH-UHFFFAOYSA-N -1 0 321.355 -0.875 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@H]1CCCC(=O)N1)[C@@H](O)c1ccncc1 ZINC001574430916 1026785432 /nfs/dbraw/zinc/78/54/32/1026785432.db2.gz ONMJNWFCDVUGAH-HONMWMINSA-N -1 0 321.333 -0.257 20 0 DBADRM O=C([O-])c1nc(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)c[nH]1 ZINC001574423464 1026785693 /nfs/dbraw/zinc/78/56/93/1026785693.db2.gz RCQROBADQQPEBF-BDHCNJCPSA-N -1 0 307.262 -0.233 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@H]1CCCN1C(=O)C[C@@H]1CCNC1=O ZINC001574423817 1026785855 /nfs/dbraw/zinc/78/58/55/1026785855.db2.gz XFURXHJNPLMKJL-JGVFFNPUSA-N -1 0 307.310 -0.307 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@H]1CCC(=O)NC1)[C@@H](O)c1cccnc1 ZINC001574430921 1026785933 /nfs/dbraw/zinc/78/59/33/1026785933.db2.gz OVHQTCCIURQCIK-FZQKWOKYSA-N -1 0 321.333 -0.399 20 0 DBADRM O=C([O-])c1cnn2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc12 ZINC001574435390 1026787123 /nfs/dbraw/zinc/78/71/23/1026787123.db2.gz MXWUDRHFPCRYSI-QMMMGPOBSA-N -1 0 317.261 -0.431 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@H]1CCC(=O)N1)[C@H](O)c1ccncc1 ZINC001574431508 1026787638 /nfs/dbraw/zinc/78/76/38/1026787638.db2.gz ZTZDETIFTGWFHJ-OASPWFOLSA-N -1 0 307.306 -0.647 20 0 DBADRM Cc1nn(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c(=O)o1 ZINC001574434645 1026788137 /nfs/dbraw/zinc/78/81/37/1026788137.db2.gz OSLPXBHEJUILDD-NSHDSACASA-N -1 0 321.289 -0.338 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001574434538 1026788710 /nfs/dbraw/zinc/78/87/10/1026788710.db2.gz DFVHTZKIOOKRCB-YIZRAAEISA-N -1 0 315.351 -0.004 20 0 DBADRM Cn1ccc(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1=O ZINC001574456507 1026789147 /nfs/dbraw/zinc/78/91/47/1026789147.db2.gz MOCPDWIRTMWAEY-XPTSAGLGSA-N -1 0 307.306 -0.050 20 0 DBADRM Cn1cc(C(C)(C)NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)nn1 ZINC001574453392 1026789771 /nfs/dbraw/zinc/78/97/71/1026789771.db2.gz HAECTBPCFYLAAP-SECBINFHSA-N -1 0 323.353 -0.510 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)NC3(C(=O)[O-])CCOCC3)C2)cn1 ZINC001574453946 1026790012 /nfs/dbraw/zinc/79/00/12/1026790012.db2.gz LTRXWNFXSPZVJO-NSHDSACASA-N -1 0 322.321 -0.337 20 0 DBADRM Cn1cc([C@H]2CN(C(=O)c3cc(C(=O)[O-])n[nH]3)CCN2)cn1 ZINC001574457840 1026791513 /nfs/dbraw/zinc/79/15/13/1026791513.db2.gz KKPNEPDTKQSNMZ-LLVKDONJSA-N -1 0 304.310 -0.372 20 0 DBADRM Cn1cncc1[C@H](CO)NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001574462952 1026791535 /nfs/dbraw/zinc/79/15/35/1026791535.db2.gz UEWRRHKNSWMAPO-DCAQKATOSA-N -1 0 311.338 -0.160 20 0 DBADRM Cn1cc(/C=C\C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cn1 ZINC001574458224 1026791755 /nfs/dbraw/zinc/79/17/55/1026791755.db2.gz NTCDMNNXIVQTHH-ZMWSMAPVSA-N -1 0 313.335 -0.857 20 0 DBADRM Cn1cnc(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)c1 ZINC001574462859 1026791931 /nfs/dbraw/zinc/79/19/31/1026791931.db2.gz OYTAAHFYPRTGKH-UHFFFAOYSA-N -1 0 315.351 -0.684 20 0 DBADRM NC(=O)COc1cccc(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)c1 ZINC001574500469 1026792549 /nfs/dbraw/zinc/79/25/49/1026792549.db2.gz MVDFXMDDUIKMEJ-OAHLLOKOSA-N -1 0 322.317 -0.199 20 0 DBADRM COC(=O)COc1ccc(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)cc1 ZINC001574567349 1026794694 /nfs/dbraw/zinc/79/46/94/1026794694.db2.gz LDBOFOLLZZAVFI-UFBFGSQYSA-N -1 0 311.290 -0.198 20 0 DBADRM CCn1c(=O)[nH]c2cc(C(=O)NC[C@H](O)C(=O)[O-])ccc2c1=O ZINC001574540352 1026794806 /nfs/dbraw/zinc/79/48/06/1026794806.db2.gz ZEDBVXABVBRTDL-JTQLQIEISA-N -1 0 321.289 -0.703 20 0 DBADRM O=C(NC[C@@]1(OCCO)CCOC1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001574563978 1026795228 /nfs/dbraw/zinc/79/52/28/1026795228.db2.gz DOZKFMNQMAZQCS-CWSCBRNRSA-N -1 0 302.327 -0.683 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H](CO)CC2CC2)CCS(=O)(=O)CC1 ZINC001574626802 1026796908 /nfs/dbraw/zinc/79/69/08/1026796908.db2.gz XUGFWNPTOSSRCH-SNVBAGLBSA-N -1 0 319.379 -0.457 20 0 DBADRM O=C([O-])[C@]1(C(=O)N(CCO)CCOCCO)CC=CCC1 ZINC001574621318 1026797176 /nfs/dbraw/zinc/79/71/76/1026797176.db2.gz OBUHBVOHJFYTHD-CQSZACIVSA-N -1 0 301.339 -0.373 20 0 DBADRM COc1cc(N)c(C(=O)NCC(=O)[O-])cc1S(C)(=O)=O ZINC001574607419 1026798589 /nfs/dbraw/zinc/79/85/89/1026798589.db2.gz IETIEGSIGKFMOL-UHFFFAOYSA-N -1 0 302.308 -0.505 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CCO1 ZINC001574657718 1026800001 /nfs/dbraw/zinc/80/00/01/1026800001.db2.gz GBVLQYQPPGRIMG-VIFPVBQESA-N -1 0 304.266 -0.813 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC001574644406 1026800076 /nfs/dbraw/zinc/80/00/76/1026800076.db2.gz UUTSQRBWWGZVLE-VHSXEESVSA-N -1 0 324.314 -0.139 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@H]2C[C@H](O)C2)CCS(=O)(=O)CC1 ZINC001574633617 1026800416 /nfs/dbraw/zinc/80/04/16/1026800416.db2.gz QBLMPFKUEDMOTA-KYZUINATSA-N -1 0 305.352 -0.847 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NC[C@@H](n2cncn2)C(F)(F)F)C1 ZINC001574644760 1026800569 /nfs/dbraw/zinc/80/05/69/1026800569.db2.gz YTIQSCCTDJWYNG-RNFRBKRXSA-N -1 0 321.215 -0.273 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@@H](CCO)C2CCOCC2)C1 ZINC001574644023 1026800698 /nfs/dbraw/zinc/80/06/98/1026800698.db2.gz MJUVCAZDJINAIK-GXSJLCMTSA-N -1 0 300.311 -0.490 20 0 DBADRM O=C([O-])CCCCNC(=O)N1CCS(=O)(=O)C[C@H]1CCO ZINC001574702298 1026802094 /nfs/dbraw/zinc/80/20/94/1026802094.db2.gz XHSKYMYMEJZLPT-SNVBAGLBSA-N -1 0 322.383 -0.568 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@@]23CC[N@H+](C2)CCC3)C1=O ZINC001574719904 1026803181 /nfs/dbraw/zinc/80/31/81/1026803181.db2.gz NYBMQMZQZXCACP-NHYWBVRUSA-N -1 0 309.366 -0.336 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1CCNC(=O)[C@H]1C)C(=O)[O-] ZINC000424493225 282078824 /nfs/dbraw/zinc/07/88/24/282078824.db2.gz NTBKICATDFXYNZ-SECBINFHSA-N -1 0 313.354 -0.660 20 0 DBADRM CCC(CC)(CNC(=O)N1CCO[C@H](C(N)=O)C1)C(=O)[O-] ZINC000263006281 282094526 /nfs/dbraw/zinc/09/45/26/282094526.db2.gz ASSKXKGPMSGDON-VIFPVBQESA-N -1 0 301.343 -0.227 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1c(C)onc1N ZINC000643971275 412490620 /nfs/dbraw/zinc/49/06/20/412490620.db2.gz GZDQRHXLAVPKTN-LLVKDONJSA-N -1 0 319.339 -0.180 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cn1 ZINC000263336414 290625875 /nfs/dbraw/zinc/62/58/75/290625875.db2.gz WICYAMPJFOLYIS-SNVBAGLBSA-N -1 0 307.306 -0.243 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1c(N)noc1C ZINC000577507836 412492908 /nfs/dbraw/zinc/49/29/08/412492908.db2.gz ZCMCTHHVOCWDPK-JTQLQIEISA-N -1 0 307.328 -0.277 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000568633357 412499230 /nfs/dbraw/zinc/49/92/30/412499230.db2.gz IDKBXFFDHHNZGL-MRVPVSSYSA-N -1 0 313.383 0.126 20 0 DBADRM C[C@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000090624813 185307150 /nfs/dbraw/zinc/30/71/50/185307150.db2.gz GDBOYIBVFXGAOR-ZETCQYMHSA-N -1 0 303.315 -0.783 20 0 DBADRM CO[C@@]1(C(=O)[N-]S(=O)(=O)c2c(C)onc2N)CCOC1 ZINC000408476497 412508184 /nfs/dbraw/zinc/50/81/84/412508184.db2.gz LVBXUMLMGDMNSR-JTQLQIEISA-N -1 0 305.312 -0.824 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)/C=C/c1ccnn1C ZINC000493433590 412527839 /nfs/dbraw/zinc/52/78/39/412527839.db2.gz MVKGQCOQOAZNPM-ONEGZZNKSA-N -1 0 311.323 -0.183 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000565053480 412530733 /nfs/dbraw/zinc/53/07/33/412530733.db2.gz BZMTXBQSSZPTST-ZETCQYMHSA-N -1 0 315.311 -0.737 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-][C@H](CO)CC(F)(F)F ZINC000330876491 412530846 /nfs/dbraw/zinc/53/08/46/412530846.db2.gz FUCKCSYGUAMFRC-YFKPBYRVSA-N -1 0 303.262 0.157 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000565053475 412532034 /nfs/dbraw/zinc/53/20/34/412532034.db2.gz BZMTXBQSSZPTST-SSDOTTSWSA-N -1 0 315.311 -0.737 20 0 DBADRM Nc1nnc(CNC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)o1 ZINC000622522885 412533655 /nfs/dbraw/zinc/53/36/55/412533655.db2.gz OVNVTCQAXWOAFB-UHFFFAOYSA-N -1 0 302.250 -0.075 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(C)CC(=O)[O-] ZINC000580928885 412542036 /nfs/dbraw/zinc/54/20/36/412542036.db2.gz SSDAXXYKSGZUQK-UHFFFAOYSA-N -1 0 306.326 -0.201 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC000408338296 535203197 /nfs/dbraw/zinc/20/31/97/535203197.db2.gz GVTLXTMRIOENQL-MRVPVSSYSA-N -1 0 312.338 -0.049 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000261700843 291012674 /nfs/dbraw/zinc/01/26/74/291012674.db2.gz ODVMMXWYYKZEEH-VIFPVBQESA-N -1 0 310.372 -0.185 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000276474325 138095558 /nfs/dbraw/zinc/09/55/58/138095558.db2.gz DDIOVBBPUOTVBE-GFCCVEGCSA-N -1 0 316.321 -0.095 20 0 DBADRM COC[C@](C)([N-]S(=O)(=O)Cc1cc(C)no1)C(=O)OC ZINC000340880731 138101750 /nfs/dbraw/zinc/10/17/50/138101750.db2.gz LSQGOIYIPKOCCH-NSHDSACASA-N -1 0 306.340 -0.019 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000340804349 138100212 /nfs/dbraw/zinc/10/02/12/138100212.db2.gz BQKSWRUOXPKHQG-UHFFFAOYSA-N -1 0 318.355 -0.691 20 0 DBADRM CN(Cc1nnnn1C)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000341556366 138111284 /nfs/dbraw/zinc/11/12/84/138111284.db2.gz BUYWSUYMHPDZFK-UHFFFAOYSA-N -1 0 321.366 -0.336 20 0 DBADRM CC(C)N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1=O ZINC000341643382 138112705 /nfs/dbraw/zinc/11/27/05/138112705.db2.gz WAKQYNGMPJMMJN-UHFFFAOYSA-N -1 0 303.306 -0.064 20 0 DBADRM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@@H](C)C(F)(F)F ZINC000341665668 138112842 /nfs/dbraw/zinc/11/28/42/138112842.db2.gz MBPWZLIYOARWTA-LURJTMIESA-N -1 0 312.335 -0.204 20 0 DBADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@@H](CO)C(N)=O)n2)c1 ZINC000341747607 138113888 /nfs/dbraw/zinc/11/38/88/138113888.db2.gz MUAUYLJBHROGHN-VIFPVBQESA-N -1 0 322.296 -0.399 20 0 DBADRM Cn1cc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)cn1 ZINC000340917486 138102500 /nfs/dbraw/zinc/10/25/00/138102500.db2.gz BBOBDWZAYQBBRD-UHFFFAOYSA-N -1 0 302.341 -0.105 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)[O-])CC2)cs1 ZINC000354989159 138138809 /nfs/dbraw/zinc/13/88/09/138138809.db2.gz VSHFMLYRUZHFCH-UHFFFAOYSA-N -1 0 319.364 -0.631 20 0 DBADRM O=C(NC[C@@H](O)C(F)F)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000355149390 138138964 /nfs/dbraw/zinc/13/89/64/138138964.db2.gz JPHUOSGSRACPAN-ZCFIWIBFSA-N -1 0 300.221 -0.208 20 0 DBADRM CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)C(N)=O ZINC000357696255 138145739 /nfs/dbraw/zinc/14/57/39/138145739.db2.gz FZXSMCHGJUKMNT-VIFPVBQESA-N -1 0 316.335 -0.064 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N(C)CC(C)C ZINC000362326620 138152305 /nfs/dbraw/zinc/15/23/05/138152305.db2.gz YPOXTXAMIRCZEP-SNVBAGLBSA-N -1 0 323.415 -0.270 20 0 DBADRM O=Cc1cccc(OCC(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1 ZINC000371678617 138163196 /nfs/dbraw/zinc/16/31/96/138163196.db2.gz CWCNHZRALWDKOB-LBPRGKRZSA-N -1 0 317.305 -0.009 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000374873736 138179040 /nfs/dbraw/zinc/17/90/40/138179040.db2.gz DZLMLLOOMGBUCT-YUMQZZPRSA-N -1 0 311.367 -0.128 20 0 DBADRM O=C([C@H]1CSCCS1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000372680348 138168995 /nfs/dbraw/zinc/16/89/95/138168995.db2.gz HVRVQYXJKUZPTI-JGVFFNPUSA-N -1 0 301.397 -0.052 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@]1(O)CCc2ccccc2C1 ZINC000376140711 138185300 /nfs/dbraw/zinc/18/53/00/138185300.db2.gz JUBGYBDECSUDJJ-OAHLLOKOSA-N -1 0 303.318 -0.058 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@]1(O)CCc2ccccc2C1 ZINC000376140710 138185553 /nfs/dbraw/zinc/18/55/53/138185553.db2.gz JUBGYBDECSUDJJ-HNNXBMFYSA-N -1 0 303.318 -0.058 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000376987534 138190014 /nfs/dbraw/zinc/19/00/14/138190014.db2.gz YCDSNFZHTJGISB-QAVQXKDTSA-N -1 0 319.317 -0.234 20 0 DBADRM C[N@H+](CC(=O)[O-])[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1O ZINC000377167450 138191896 /nfs/dbraw/zinc/19/18/96/138191896.db2.gz ARFHGXKZPXRCEK-SCRDCRAPSA-N -1 0 320.345 -0.422 20 0 DBADRM CN1CCN(C(=O)CN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC000377487065 138192799 /nfs/dbraw/zinc/19/27/99/138192799.db2.gz WTRQXALTSWKVSI-NSHDSACASA-N -1 0 308.386 -0.536 20 0 DBADRM CCS(=O)(=O)NCCN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377488100 138192880 /nfs/dbraw/zinc/19/28/80/138192880.db2.gz ZDNFNVZOTKVGGK-VIFPVBQESA-N -1 0 303.388 -0.371 20 0 DBADRM CCS(=O)(=O)NCCN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377488098 138193487 /nfs/dbraw/zinc/19/34/87/138193487.db2.gz ZDNFNVZOTKVGGK-SECBINFHSA-N -1 0 303.388 -0.371 20 0 DBADRM O=S(=O)(NC[C@@H]1COC2(CCOCC2)O1)c1c[nH]cn1 ZINC000378473286 138198852 /nfs/dbraw/zinc/19/88/52/138198852.db2.gz OVQGFVGDZPZRFP-SECBINFHSA-N -1 0 303.340 -0.390 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)COC2)[C@H]1COCCO1 ZINC000408322845 138215087 /nfs/dbraw/zinc/21/50/87/138215087.db2.gz VXLMNWOFRGJSJR-GFCCVEGCSA-N -1 0 313.331 -0.063 20 0 DBADRM Cn1nnc2cc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)ccc21 ZINC000408387563 138216317 /nfs/dbraw/zinc/21/63/17/138216317.db2.gz RSWJOXGPHWHLGC-SECBINFHSA-N -1 0 310.335 -0.183 20 0 DBADRM C[C@H](C(=O)[N-]S(C)(=O)=O)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000407951954 138200088 /nfs/dbraw/zinc/20/00/88/138200088.db2.gz XWZXUAXCQXRLBX-VGMNWLOBSA-N -1 0 302.352 -0.374 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)n1 ZINC000408138002 138208098 /nfs/dbraw/zinc/20/80/98/138208098.db2.gz LBKMTDMKSCLHNN-SECBINFHSA-N -1 0 302.356 -0.216 20 0 DBADRM Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)cn12 ZINC000408194634 138210616 /nfs/dbraw/zinc/21/06/16/138210616.db2.gz ZDBPJMKDXBYACG-JTQLQIEISA-N -1 0 310.335 -0.114 20 0 DBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000408243785 138211902 /nfs/dbraw/zinc/21/19/02/138211902.db2.gz BCHZZRADLMWWEL-NSHDSACASA-N -1 0 306.384 -0.809 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)C1 ZINC000408249236 138212171 /nfs/dbraw/zinc/21/21/71/138212171.db2.gz ZFMKXLHIWDOWAD-JTQLQIEISA-N -1 0 304.368 -0.663 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000408390033 138217309 /nfs/dbraw/zinc/21/73/09/138217309.db2.gz QNPVXHHLSYBMAG-WDEREUQCSA-N -1 0 304.368 -0.520 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000408408851 138218125 /nfs/dbraw/zinc/21/81/25/138218125.db2.gz RHKYDFNZHZJCFG-GXSJLCMTSA-N -1 0 316.379 -0.378 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C)C1 ZINC000408445599 138219024 /nfs/dbraw/zinc/21/90/24/138219024.db2.gz AGYNIDDWKSAYRX-UHFFFAOYSA-N -1 0 300.340 -0.988 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CN1CCOCC1 ZINC000408478351 138220271 /nfs/dbraw/zinc/22/02/71/138220271.db2.gz CWZHUSFCJGBJBP-UHFFFAOYSA-N -1 0 303.340 -0.571 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cc2n(n1)CCO2 ZINC000408474413 138220281 /nfs/dbraw/zinc/22/02/81/138220281.db2.gz VRRWWPWOOPFXMM-VIFPVBQESA-N -1 0 315.351 -0.096 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cn(C(C)C)cn2)C1 ZINC000408478802 138220459 /nfs/dbraw/zinc/22/04/59/138220459.db2.gz KKXAQPNEOWDDGM-UHFFFAOYSA-N -1 0 314.367 -0.253 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1cnn2c1OCCC2 ZINC000408481310 138220477 /nfs/dbraw/zinc/22/04/77/138220477.db2.gz IRMMGLAWANKODI-SECBINFHSA-N -1 0 315.351 -0.096 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cnn3c2OCCC3)cn1 ZINC000408489964 138220478 /nfs/dbraw/zinc/22/04/78/138220478.db2.gz XMBKZJJCGDYGCO-UHFFFAOYSA-N -1 0 311.323 -0.482 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000408477826 138220509 /nfs/dbraw/zinc/22/05/09/138220509.db2.gz HBUDLEGMBTYRPT-OUAUKWLOSA-N -1 0 318.395 -0.097 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@@H]1CCCCS1(=O)=O ZINC000408484080 138220514 /nfs/dbraw/zinc/22/05/14/138220514.db2.gz YQEDOTHKCCDZGL-BDAKNGLRSA-N -1 0 311.381 -0.811 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cn1 ZINC000261655951 291172619 /nfs/dbraw/zinc/17/26/19/291172619.db2.gz IKKBJRTWARYQLA-JTQLQIEISA-N -1 0 319.339 -0.556 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cn1 ZINC000261655954 291172675 /nfs/dbraw/zinc/17/26/75/291172675.db2.gz IKKBJRTWARYQLA-SNVBAGLBSA-N -1 0 319.339 -0.556 20 0 DBADRM O=C(/C=C\C1CCOCC1)[N-]S(=O)(=O)N1CCOCC1 ZINC000492081641 237007257 /nfs/dbraw/zinc/00/72/57/237007257.db2.gz FTNQGXOYXXCKSG-UPHRSURJSA-N -1 0 304.368 -0.338 20 0 DBADRM Cc1ccc(/C=C/C(=O)NCCC(=O)[N-]S(C)(=O)=O)nc1 ZINC000492856819 237009499 /nfs/dbraw/zinc/00/94/99/237009499.db2.gz JFGRUMYNRRNLCS-AATRIKPKSA-N -1 0 311.363 -0.015 20 0 DBADRM O=C(NCc1ccccc1N1CCOCC1)c1nc(=O)[nH][n-]1 ZINC000127904462 283568399 /nfs/dbraw/zinc/56/83/99/283568399.db2.gz HGMPCVMVUJJZKN-UHFFFAOYSA-N -1 0 303.322 -0.135 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC000252860755 283595974 /nfs/dbraw/zinc/59/59/74/283595974.db2.gz NCUCARZJQYGVLC-GUBZILKMSA-N -1 0 322.383 -0.043 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)NC/C=C/C(=O)[O-])CC1 ZINC000278635278 283600908 /nfs/dbraw/zinc/60/09/08/283600908.db2.gz ILDFAUBGDJANQN-NSCUHMNNSA-N -1 0 306.340 -0.653 20 0 DBADRM Cn1cc(-c2n[nH]cc2C(=O)NCCCc2n[nH]c(=O)[n-]2)cn1 ZINC000444747089 238291382 /nfs/dbraw/zinc/29/13/82/238291382.db2.gz XQCASRWMCWBOLN-UHFFFAOYSA-N -1 0 316.325 -0.004 20 0 DBADRM COCCOc1ncccc1C(=O)NCCc1nc(=O)o[n-]1 ZINC000447634769 238332228 /nfs/dbraw/zinc/33/22/28/238332228.db2.gz AFXMGWHGNKQJDR-UHFFFAOYSA-N -1 0 308.294 -0.244 20 0 DBADRM O=C([O-])COCCNC(=O)[C@H]1CSCN1C(=O)C1CCC1 ZINC000448989246 238350071 /nfs/dbraw/zinc/35/00/71/238350071.db2.gz GDCHEEGRRWCNIN-SNVBAGLBSA-N -1 0 316.379 -0.095 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CSCN1C(=O)C1CCC1)C(=O)[O-] ZINC000449005454 238350999 /nfs/dbraw/zinc/35/09/99/238350999.db2.gz VMFMIVKMCIVWNS-ZJUUUORDSA-N -1 0 316.379 -0.096 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000450493321 238361330 /nfs/dbraw/zinc/36/13/30/238361330.db2.gz BJLWBBFWTMBISF-UHFFFAOYSA-N -1 0 300.336 -0.108 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000450496424 238361903 /nfs/dbraw/zinc/36/19/03/238361903.db2.gz YHXSRLVPDPMCBK-LLVKDONJSA-N -1 0 314.363 -0.310 20 0 DBADRM NC(=O)c1ccc(CNS(=O)(=O)[N-]CC(F)(F)F)o1 ZINC000195331106 238415374 /nfs/dbraw/zinc/41/53/74/238415374.db2.gz UYCVTKJQKAYMTO-UHFFFAOYSA-N -1 0 301.246 -0.135 20 0 DBADRM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1n[nH]c(=O)[n-]1 ZINC000533453116 283635336 /nfs/dbraw/zinc/63/53/36/283635336.db2.gz QHDMVYWEPGNFNT-RXMQYKEDSA-N -1 0 307.232 -0.207 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000535512926 283653059 /nfs/dbraw/zinc/65/30/59/283653059.db2.gz DCPSTONACTVFSL-ZCFIWIBFSA-N -1 0 308.337 -0.915 20 0 DBADRM C[C@@H](NC(=O)CCNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000262691299 296045070 /nfs/dbraw/zinc/04/50/70/296045070.db2.gz GNIIOUXDBIQZOT-MRVPVSSYSA-N -1 0 301.324 -0.661 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cncc(OC)c1 ZINC000543770393 283708455 /nfs/dbraw/zinc/70/84/55/283708455.db2.gz CZUYOGZCSSNFEJ-JTQLQIEISA-N -1 0 304.324 -0.190 20 0 DBADRM C[C@@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC000547438375 283739053 /nfs/dbraw/zinc/73/90/53/283739053.db2.gz QAUYMNCEQVSSQP-MEBBXXQBSA-N -1 0 306.318 -0.009 20 0 DBADRM CCCSC[C@H](NS(=O)(=O)N(C)CCOC)C(=O)[O-] ZINC000547595221 283745836 /nfs/dbraw/zinc/74/58/36/283745836.db2.gz STEZAPFLHGYOTN-VIFPVBQESA-N -1 0 314.429 -0.005 20 0 DBADRM CC1CCN(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])CC1 ZINC000547605299 283746500 /nfs/dbraw/zinc/74/65/00/283746500.db2.gz FXVIBDLRNKHIJZ-DGIBIBHMSA-N -1 0 324.424 -0.519 20 0 DBADRM CN(CC(C)(C)C(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC000547603902 283746600 /nfs/dbraw/zinc/74/66/00/283746600.db2.gz UEDZIMRYSMCZOJ-UHFFFAOYSA-N -1 0 315.413 -0.207 20 0 DBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)C[C@H]1CCCO1 ZINC000547607501 283747169 /nfs/dbraw/zinc/74/71/69/283747169.db2.gz ZKRHJFNOOWPRPI-SNFQMMDSSA-N -1 0 311.381 -0.987 20 0 DBADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000547872799 283754836 /nfs/dbraw/zinc/75/48/36/283754836.db2.gz KVMHDLQSNQFBLS-SECBINFHSA-N -1 0 305.356 -0.195 20 0 DBADRM COC(=O)c1cc(C)ccc1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000547895754 283757683 /nfs/dbraw/zinc/75/76/83/283757683.db2.gz ZIZUGKMXOLICIT-VIFPVBQESA-N -1 0 317.319 -0.495 20 0 DBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)cc1 ZINC000547900571 283757796 /nfs/dbraw/zinc/75/77/96/283757796.db2.gz SVVPMEOJIDSRLJ-UHFFFAOYSA-N -1 0 320.348 -0.961 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000547907465 283758388 /nfs/dbraw/zinc/75/83/88/283758388.db2.gz QNSUBDATALOBMR-WDEREUQCSA-N -1 0 322.383 -0.555 20 0 DBADRM Cc1cc(CS(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])on1 ZINC000547905840 283758443 /nfs/dbraw/zinc/75/84/43/283758443.db2.gz GZJXTPXRGNXJEZ-SECBINFHSA-N -1 0 306.340 -0.030 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)CC1CCOCC1)C(=O)[O-] ZINC000547907445 283758505 /nfs/dbraw/zinc/75/85/05/283758505.db2.gz QCWNGFOXLLOFFU-MNOVXSKESA-N -1 0 309.384 -0.053 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000547877478 283755901 /nfs/dbraw/zinc/75/59/01/283755901.db2.gz XMINKFAVUJQOIF-ZCFIWIBFSA-N -1 0 318.298 -0.576 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)c1cncc(F)c1)[C@H]1CCOC1 ZINC000547882919 283756329 /nfs/dbraw/zinc/75/63/29/283756329.db2.gz YEPVOOOEWRPJGE-OIBJUYFYSA-N -1 0 304.299 -0.011 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)c2cnn(C)c2)C(=O)[O-])c1 ZINC000547879342 283756334 /nfs/dbraw/zinc/75/63/34/283756334.db2.gz ALTKWOFOWYWBPX-SNVBAGLBSA-N -1 0 313.339 -0.643 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000547881915 283756337 /nfs/dbraw/zinc/75/63/37/283756337.db2.gz KURTWCSDEAAYCL-SNVBAGLBSA-N -1 0 313.339 -0.259 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000547893524 283757470 /nfs/dbraw/zinc/75/74/70/283757470.db2.gz MMPKYPZJWPNXGF-SKDRFNHKSA-N -1 0 322.383 -0.041 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000547928683 283759836 /nfs/dbraw/zinc/75/98/36/283759836.db2.gz PSRLNOIZXXKKFT-GIGQVBGESA-N -1 0 324.424 -0.519 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)CCCS(C)(=O)=O)[C@@H]1C(=O)[O-] ZINC000548249125 283772397 /nfs/dbraw/zinc/77/23/97/283772397.db2.gz MBCQSAJAYLKLFM-BDAKNGLRSA-N -1 0 313.397 -0.454 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC000548199852 283769189 /nfs/dbraw/zinc/76/91/89/283769189.db2.gz MRXQTLOSTDZJOX-OUAUKWLOSA-N -1 0 306.384 -0.222 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548202346 283769762 /nfs/dbraw/zinc/76/97/62/283769762.db2.gz IPJNWYIWOINQBX-BDAKNGLRSA-N -1 0 303.340 -0.124 20 0 DBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000548208850 283770417 /nfs/dbraw/zinc/77/04/17/283770417.db2.gz RJFJRQDVDOEFQG-IONNQARKSA-N -1 0 307.372 -0.730 20 0 DBADRM Cc1cc(C)n(C[C@@H](NS(=O)(=O)[C@@H]2CCOC2)C(=O)[O-])n1 ZINC000548220119 283770722 /nfs/dbraw/zinc/77/07/22/283770722.db2.gz ZEGYMGREJRJWMA-GHMZBOCLSA-N -1 0 317.367 -0.339 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])c1 ZINC000548214514 283770741 /nfs/dbraw/zinc/77/07/41/283770741.db2.gz XUMVBTQHVMKALU-ZETCQYMHSA-N -1 0 307.280 -0.556 20 0 DBADRM COCCS(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000548221614 283771385 /nfs/dbraw/zinc/77/13/85/283771385.db2.gz YNZZALCXEZKKHA-SNVBAGLBSA-N -1 0 305.356 -0.771 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCCS(C)(=O)=O ZINC000548233129 283771897 /nfs/dbraw/zinc/77/18/97/283771897.db2.gz AJAUXGQNERROBC-QMMMGPOBSA-N -1 0 301.386 -0.454 20 0 DBADRM COCCN(C)S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000548228406 283771907 /nfs/dbraw/zinc/77/19/07/283771907.db2.gz FRUQCSAIDCJFFL-UHFFFAOYSA-N -1 0 310.372 -0.720 20 0 DBADRM CCn1cncc1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC000548235313 283771912 /nfs/dbraw/zinc/77/19/12/283771912.db2.gz HKNSHXUKZNQKNN-SECBINFHSA-N -1 0 305.356 -0.251 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CSC[C@H]1C(=O)[O-] ZINC000548238890 283771921 /nfs/dbraw/zinc/77/19/21/283771921.db2.gz RRAZBFGMMQDMBS-ZETCQYMHSA-N -1 0 312.369 -0.814 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1cncn1CC)C(=O)[O-] ZINC000548235174 283771935 /nfs/dbraw/zinc/77/19/35/283771935.db2.gz FJOCYPPFIUFKQF-WCBMZHEXSA-N -1 0 305.356 -0.205 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)nc1)C(=O)[O-] ZINC000548552593 283784760 /nfs/dbraw/zinc/78/47/60/283784760.db2.gz VATJVPDJAWBUSO-SECBINFHSA-N -1 0 318.307 -0.754 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc2n1CCC2 ZINC000548563855 283784810 /nfs/dbraw/zinc/78/48/10/283784810.db2.gz LIHULVUORYSSMB-MRVPVSSYSA-N -1 0 303.340 -0.451 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cnc2n1CCC2 ZINC000548558568 283784830 /nfs/dbraw/zinc/78/48/30/283784830.db2.gz KOGJZZMDOPGXMX-UHFFFAOYSA-N -1 0 303.340 -0.449 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])o1 ZINC000548525764 283781799 /nfs/dbraw/zinc/78/17/99/283781799.db2.gz GAVBPKKPKQGVQU-LURJTMIESA-N -1 0 307.280 -0.820 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000548528350 283782422 /nfs/dbraw/zinc/78/24/22/283782422.db2.gz BISYHJABIJYYDO-SCZZXKLOSA-N -1 0 302.356 -0.136 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)N(C)[C@H](C)C1CC1)C(=O)[O-] ZINC000548535712 283783274 /nfs/dbraw/zinc/78/32/74/283783274.db2.gz RFHKXFLJGYVXJB-SCZZXKLOSA-N -1 0 322.383 -0.043 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)C1 ZINC000548532808 283783342 /nfs/dbraw/zinc/78/33/42/283783342.db2.gz NPVRCFUKBZGZGX-WCBMZHEXSA-N -1 0 302.356 -0.278 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)COC2)C(=O)[O-] ZINC000548537546 283783803 /nfs/dbraw/zinc/78/38/03/283783803.db2.gz AXECOSUTNOLSQU-SNVBAGLBSA-N -1 0 314.319 -0.676 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC(C(=O)[O-])C2)cn1C ZINC000548544460 283784172 /nfs/dbraw/zinc/78/41/72/283784172.db2.gz ULRULBQTUCULRJ-UHFFFAOYSA-N -1 0 302.308 -0.483 20 0 DBADRM C[C@](CO)(CNS(=O)(=O)CC1CCOCC1)CC(=O)[O-] ZINC000548684941 283789003 /nfs/dbraw/zinc/78/90/03/283789003.db2.gz INKLHBFKFAFCIT-GFCCVEGCSA-N -1 0 309.384 -0.194 20 0 DBADRM CCc1ncc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])s1 ZINC000548771200 283793383 /nfs/dbraw/zinc/79/33/83/283793383.db2.gz MPKMUEFPYDJREI-BQBZGAKWSA-N -1 0 306.365 -0.086 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000551314420 283809376 /nfs/dbraw/zinc/80/93/76/283809376.db2.gz BLKMUESFSGDYQA-SECBINFHSA-N -1 0 321.351 -0.555 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)[O-] ZINC000554432726 283933091 /nfs/dbraw/zinc/93/30/91/283933091.db2.gz SNVODAYZNPWRSJ-PSASIEDQSA-N -1 0 305.356 -0.379 20 0 DBADRM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000352887374 291383923 /nfs/dbraw/zinc/38/39/23/291383923.db2.gz XPZHSOCCIAOUDS-SFYZADRCSA-N -1 0 319.339 -0.834 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1)C(=O)[O-] ZINC000262696370 296100407 /nfs/dbraw/zinc/10/04/07/296100407.db2.gz BEYAJLFTSFPTEP-QRTLGDNMSA-N -1 0 308.338 -0.081 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)C[C@H]1CCCCO1)C(=O)[O-] ZINC000556701385 283953064 /nfs/dbraw/zinc/95/30/64/283953064.db2.gz TVNWIDPAOWRIOL-RKDXNWHRSA-N -1 0 309.340 -0.509 20 0 DBADRM O=C(CNC(=O)c1n[nH]c(=O)[n-]1)N[C@H]1CCOc2ccccc21 ZINC000558651743 283976735 /nfs/dbraw/zinc/97/67/35/283976735.db2.gz AGOSBAKTNNGLPW-VIFPVBQESA-N -1 0 317.305 -0.120 20 0 DBADRM COCc1nc(=NC(=O)[C@@](C)(O)Cn2ccccc2=O)s[n-]1 ZINC000560045002 283987598 /nfs/dbraw/zinc/98/75/98/283987598.db2.gz FEBROMZAUARGDE-ZDUSSCGKSA-N -1 0 324.362 -0.342 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CNC(=O)NC1CCCCC1 ZINC000262427309 304134666 /nfs/dbraw/zinc/13/46/66/304134666.db2.gz DLIJKJBENOJFMZ-NSHDSACASA-N -1 0 313.354 -0.070 20 0 DBADRM Cc1cc(NCCNC(=O)c2cnc([O-])n(C)c2=O)n(C)n1 ZINC000560442595 283992197 /nfs/dbraw/zinc/99/21/97/283992197.db2.gz GZODOEWOUHDYET-UHFFFAOYSA-N -1 0 306.326 -0.630 20 0 DBADRM CCOC[C@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000562230237 284006864 /nfs/dbraw/zinc/00/68/64/284006864.db2.gz FZEBMRMCMNIHJU-QMMMGPOBSA-N -1 0 303.340 -0.403 20 0 DBADRM O=C([O-])c1coc(CNC(=O)N2CCS(=O)(=O)CC2)c1 ZINC000562411101 284009795 /nfs/dbraw/zinc/00/97/95/284009795.db2.gz FHWILEVTYFUIIJ-UHFFFAOYSA-N -1 0 302.308 -0.082 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000562374704 284008676 /nfs/dbraw/zinc/00/86/76/284008676.db2.gz GWPVINGAZRFNLU-JTQLQIEISA-N -1 0 306.384 -0.019 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NCC(=O)[O-])c2ccccc2O1 ZINC000562953807 284017249 /nfs/dbraw/zinc/01/72/49/284017249.db2.gz DYAPAXWXJPDSDV-JTQLQIEISA-N -1 0 322.273 -0.846 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)Cn2cc(C(=O)[O-])nn2)CC1=O ZINC000562649229 284013658 /nfs/dbraw/zinc/01/36/58/284013658.db2.gz AEECVQPNLXAYGN-NQMVMOMDSA-N -1 0 307.310 -0.898 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)Cn2cc(C(=O)[O-])nn2)CC1=O ZINC000562649228 284013706 /nfs/dbraw/zinc/01/37/06/284013706.db2.gz AEECVQPNLXAYGN-MRTMQBJTSA-N -1 0 307.310 -0.898 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000562999232 284019422 /nfs/dbraw/zinc/01/94/22/284019422.db2.gz HNPUNGXPXXJRCJ-JTQLQIEISA-N -1 0 306.384 -0.004 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)CCn2cccn2)C[C@H]1C(=O)[O-] ZINC000563139620 284025840 /nfs/dbraw/zinc/02/58/40/284025840.db2.gz AFUKUYOPYXWNTM-NWDGAFQWSA-N -1 0 322.365 -0.089 20 0 DBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)NCCCC(=O)[O-])C1 ZINC000563092296 284022254 /nfs/dbraw/zinc/02/22/54/284022254.db2.gz JFAHYPNSBDRVGU-NWDGAFQWSA-N -1 0 318.370 -0.093 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCC(C)(CO)CO)c1 ZINC000563283224 284032691 /nfs/dbraw/zinc/03/26/91/284032691.db2.gz ASSBADLLYVVRPY-NRFANRHFSA-N -1 0 315.391 -0.090 20 0 DBADRM C[C@](O)(CNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1)C(=O)[O-] ZINC000563413592 284037970 /nfs/dbraw/zinc/03/79/70/284037970.db2.gz CSDBRDUBLNSEQB-JKSUJKDBSA-N -1 0 320.345 -0.214 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C[C@H](C)CC(=O)[O-] ZINC000563422253 284038022 /nfs/dbraw/zinc/03/80/22/284038022.db2.gz FGJXTIVUUASEMG-UWVGGRQHSA-N -1 0 313.354 -0.660 20 0 DBADRM CO[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@@H](C(=O)[O-])C1 ZINC000563449701 284040084 /nfs/dbraw/zinc/04/00/84/284040084.db2.gz PNTALQAEMNFVHN-NXEZZACHSA-N -1 0 320.367 -0.888 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000262580776 304139888 /nfs/dbraw/zinc/13/98/88/304139888.db2.gz FPCCTHNUHNWZGM-WDEREUQCSA-N -1 0 312.347 -0.198 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000563569996 284043138 /nfs/dbraw/zinc/04/31/38/284043138.db2.gz YHSWVZCDYQLQTL-ZJUUUORDSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-] ZINC000563716157 284047619 /nfs/dbraw/zinc/04/76/19/284047619.db2.gz NDPYALFKDBLEHO-WPRPVWTQSA-N -1 0 318.351 -0.329 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000563940307 284052432 /nfs/dbraw/zinc/05/24/32/284052432.db2.gz WFYZVRLHURGRBX-MRVPVSSYSA-N -1 0 309.340 -0.699 20 0 DBADRM COCCOc1ccccc1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000564270897 284057733 /nfs/dbraw/zinc/05/77/33/284057733.db2.gz FCYNLZHGYPKOSY-VIFPVBQESA-N -1 0 319.335 -0.564 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000563957312 284053585 /nfs/dbraw/zinc/05/35/85/284053585.db2.gz CRRQQSRBAKHILJ-AWEZNQCLSA-N -1 0 311.338 -0.904 20 0 DBADRM COCC[C@H](NS(=O)(=O)CCOC(F)(F)F)C(=O)[O-] ZINC000564552892 284062118 /nfs/dbraw/zinc/06/21/18/284062118.db2.gz DREJPFLYFSEYPJ-LURJTMIESA-N -1 0 309.262 -0.068 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1=O ZINC000564779354 284066651 /nfs/dbraw/zinc/06/66/51/284066651.db2.gz RHQZVLKYZKBGIS-KKZNHRDASA-N -1 0 311.338 -0.909 20 0 DBADRM O=C([O-])c1cncnc1N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000564800418 284067398 /nfs/dbraw/zinc/06/73/98/284067398.db2.gz HNOVUGJVZFGUFW-CYBMUJFWSA-N -1 0 304.310 -0.202 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000564921693 284071807 /nfs/dbraw/zinc/07/18/07/284071807.db2.gz KFUSWJCHPGBZTA-SNVBAGLBSA-N -1 0 316.335 -0.046 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000564923578 284071913 /nfs/dbraw/zinc/07/19/13/284071913.db2.gz QOIBVJMOKLRYSZ-QMMMGPOBSA-N -1 0 320.348 -0.755 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000564925937 284072251 /nfs/dbraw/zinc/07/22/51/284072251.db2.gz WKARRFZUBNYIJI-ZJUUUORDSA-N -1 0 321.399 -0.322 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000564926272 284072257 /nfs/dbraw/zinc/07/22/57/284072257.db2.gz HLBWPJGYSSHSES-DTORHVGOSA-N -1 0 323.334 -0.196 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C[C@H]1O ZINC000564971061 284075014 /nfs/dbraw/zinc/07/50/14/284075014.db2.gz IGVHVLLKZPMIDL-GHMZBOCLSA-N -1 0 308.290 -0.459 20 0 DBADRM COCC1(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)CC1 ZINC000565056285 284080037 /nfs/dbraw/zinc/08/00/37/284080037.db2.gz PAPKGGIIDYYHCS-JQWIXIFHSA-N -1 0 319.379 -0.082 20 0 DBADRM Cn1nnc(CNS(=O)(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC000565061868 284080535 /nfs/dbraw/zinc/08/05/35/284080535.db2.gz NOEDRFYLKCZEDD-UHFFFAOYSA-N -1 0 311.323 -0.684 20 0 DBADRM NS(=O)(=O)c1cccnc1N1CCSC[C@H](C(=O)[O-])C1 ZINC000565041591 284079071 /nfs/dbraw/zinc/07/90/71/284079071.db2.gz QETTWADNZMDXAH-MRVPVSSYSA-N -1 0 317.392 -0.017 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000565224389 284088504 /nfs/dbraw/zinc/08/85/04/284088504.db2.gz GLDBFKAFPYOLNH-JTQLQIEISA-N -1 0 306.384 -0.019 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCOC[C@@]12CCOC2 ZINC000565361401 284093432 /nfs/dbraw/zinc/09/34/32/284093432.db2.gz NAIAKNLCRUHVJU-JQWIXIFHSA-N -1 0 320.367 -0.729 20 0 DBADRM Cc1cc(C)cc(C(=O)NCC(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000565363483 284093657 /nfs/dbraw/zinc/09/36/57/284093657.db2.gz HBQUQWVEAODKFA-HNNXBMFYSA-N -1 0 308.334 -0.015 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)C[C@@]12CCOC2 ZINC000565518216 284097432 /nfs/dbraw/zinc/09/74/32/284097432.db2.gz CUVZCMWTZSJCHR-GMXVVIOVSA-N -1 0 319.379 -0.082 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000565833666 284105590 /nfs/dbraw/zinc/10/55/90/284105590.db2.gz ODFZNOJOKSAWCJ-GHMZBOCLSA-N -1 0 300.355 -0.214 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCOC[C@H]1C1CC1 ZINC000565714727 284102759 /nfs/dbraw/zinc/10/27/59/284102759.db2.gz WOYLZNYTIVADTP-QWRGUYRKSA-N -1 0 304.368 -0.109 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2C=CCCC2)CCS1(=O)=O ZINC000565827979 284105181 /nfs/dbraw/zinc/10/51/81/284105181.db2.gz DXUGETMGLDVVGO-UWVGGRQHSA-N -1 0 302.352 -0.012 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000565929205 284107531 /nfs/dbraw/zinc/10/75/31/284107531.db2.gz IDMBTLXAOWGLLP-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000262916465 296142439 /nfs/dbraw/zinc/14/24/39/296142439.db2.gz UGMQLQLBXJFAID-MWLCHTKSSA-N -1 0 314.363 -0.264 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000262258965 296142206 /nfs/dbraw/zinc/14/22/06/296142206.db2.gz UGMQLQLBXJFAID-KOLCDFICSA-N -1 0 314.363 -0.264 20 0 DBADRM CCN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@@H](C)CS(C)(=O)=O ZINC000353770302 284158197 /nfs/dbraw/zinc/15/81/97/284158197.db2.gz UEQBPDCYSUIPBC-ZETCQYMHSA-N -1 0 322.412 -0.116 20 0 DBADRM COC(=O)[C@](C)(CCF)NC(=O)c1cnc([O-])n(C)c1=O ZINC000598285412 376203910 /nfs/dbraw/zinc/20/39/10/376203910.db2.gz NMKFTGAESRPAJX-LBPRGKRZSA-N -1 0 301.274 -0.493 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC2)C(=O)[O-] ZINC000020301951 182204371 /nfs/dbraw/zinc/20/43/71/182204371.db2.gz KYGSUFVKAMHVDB-NSHDSACASA-N -1 0 312.347 -0.218 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)C(=O)[O-] ZINC000020301949 182204403 /nfs/dbraw/zinc/20/44/03/182204403.db2.gz KYGSUFVKAMHVDB-LLVKDONJSA-N -1 0 312.347 -0.218 20 0 DBADRM CCS(=O)(=O)NCc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000262645514 374270903 /nfs/dbraw/zinc/27/09/03/374270903.db2.gz QVHCXOMPHZSENP-UHFFFAOYSA-N -1 0 300.336 -0.060 20 0 DBADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])n1)C(=O)N1CCOCC1 ZINC000317119689 374236402 /nfs/dbraw/zinc/23/64/02/374236402.db2.gz ZYDWOQSWCLRQCA-VIFPVBQESA-N -1 0 307.306 -0.243 20 0 DBADRM COCc1nc(=NC2CN(S(=O)(=O)N(C)C)C2)s[n-]1 ZINC000624708255 374306737 /nfs/dbraw/zinc/30/67/37/374306737.db2.gz DQVOFVGQKSJGJE-UHFFFAOYSA-N -1 0 307.401 -0.991 20 0 DBADRM CN(C)S(=O)(=O)N1CC(N=c2[n-]c(C3CCC3)no2)C1 ZINC000624708825 374306970 /nfs/dbraw/zinc/30/69/70/374306970.db2.gz FLRCFTPHPWVWIR-UHFFFAOYSA-N -1 0 301.372 -0.339 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)NC[C@H](CC(=O)[O-])OC)c1 ZINC000530540762 374393190 /nfs/dbraw/zinc/39/31/90/374393190.db2.gz AAJINXUXYTXEMD-QMMMGPOBSA-N -1 0 321.307 -0.166 20 0 DBADRM C[C@@H]1C[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCO1 ZINC000235377302 374396442 /nfs/dbraw/zinc/39/64/42/374396442.db2.gz VCKLAEQZNQJGJC-RKDXNWHRSA-N -1 0 303.340 -0.187 20 0 DBADRM C[C@](O)(CO)CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000235720917 374402815 /nfs/dbraw/zinc/40/28/15/374402815.db2.gz HBXCMENHSWWDID-LLVKDONJSA-N -1 0 304.324 -0.813 20 0 DBADRM CC(C)CN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000037502202 374389049 /nfs/dbraw/zinc/38/90/49/374389049.db2.gz AEQDDMBTBQZYOH-UHFFFAOYSA-N -1 0 317.367 -0.145 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)CCCOCc1ccccc1 ZINC000309946233 374410681 /nfs/dbraw/zinc/41/06/81/374410681.db2.gz KKXQLVBUIQKNRT-LBPRGKRZSA-N -1 0 317.363 -0.042 20 0 DBADRM Cc1cc(C(=O)NC(C)(C)C(N)=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000530569069 374415366 /nfs/dbraw/zinc/41/53/66/374415366.db2.gz ZMCBLZMJQBFUTM-UHFFFAOYSA-N -1 0 305.294 -0.262 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000093228374 374425864 /nfs/dbraw/zinc/42/58/64/374425864.db2.gz XRSVZVJMORKKCS-UHFFFAOYSA-N -1 0 317.319 -0.163 20 0 DBADRM Cn1nccc1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000124171503 374427047 /nfs/dbraw/zinc/42/70/47/374427047.db2.gz HOHRYAGFAACNPR-UHFFFAOYSA-N -1 0 303.340 -0.420 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCCn2cccn2)cn1 ZINC000126230297 374428277 /nfs/dbraw/zinc/42/82/77/374428277.db2.gz ILEBDBVEMGBKTG-UHFFFAOYSA-N -1 0 313.339 -0.467 20 0 DBADRM CCCCS(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000124643602 374428494 /nfs/dbraw/zinc/42/84/94/374428494.db2.gz GWFDHGNOEJMXLI-SECBINFHSA-N -1 0 313.397 -0.310 20 0 DBADRM C[C@H]1CCN(C(=O)NCCNS(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC000128335998 374429334 /nfs/dbraw/zinc/42/93/34/374429334.db2.gz CADMOKVARBRIMP-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM NS(=O)(=O)c1ccc(N2CCO[C@H](CO)C2)c(C(=O)[O-])c1 ZINC000167210207 374432285 /nfs/dbraw/zinc/43/22/85/374432285.db2.gz WSKUVCOSFUDODI-QMMMGPOBSA-N -1 0 316.335 -0.770 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)OC)N(C(=O)c2cc(=O)[nH][n-]2)C1 ZINC000600321525 374494453 /nfs/dbraw/zinc/49/44/53/374494453.db2.gz SSXMVHWEBQAFDS-APPZFPTMSA-N -1 0 311.294 -0.318 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000070141587 374471640 /nfs/dbraw/zinc/47/16/40/374471640.db2.gz GCEFSNOJLCCNKV-JTQLQIEISA-N -1 0 317.319 -0.010 20 0 DBADRM CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000584053663 374475049 /nfs/dbraw/zinc/47/50/49/374475049.db2.gz TZDPEMNGOBZZLX-UHFFFAOYSA-N -1 0 319.317 -0.082 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000616475392 374525514 /nfs/dbraw/zinc/52/55/14/374525514.db2.gz MTOVLYRUJQZEEN-MWLCHTKSSA-N -1 0 316.335 -0.817 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](CO)CCF)c1 ZINC000616558378 374542175 /nfs/dbraw/zinc/54/21/75/374542175.db2.gz LSIKIRDJTAQKFQ-SSDOTTSWSA-N -1 0 306.315 -0.510 20 0 DBADRM NC(=O)[C@@]1(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CCOC1 ZINC000616709473 374555844 /nfs/dbraw/zinc/55/58/44/374555844.db2.gz HJXXHSTZDHLNQE-CQSZACIVSA-N -1 0 318.289 -0.596 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000315305122 374560915 /nfs/dbraw/zinc/56/09/15/374560915.db2.gz KOHZDVNSAKZBFP-ZANVPECISA-N -1 0 301.343 -0.404 20 0 DBADRM CN(C)C(=O)CNC(=O)CCNS(=O)(=O)c1cccs1 ZINC000049087259 374576976 /nfs/dbraw/zinc/57/69/76/374576976.db2.gz DKUJYRUUVYJVJN-UHFFFAOYSA-N -1 0 319.408 -0.379 20 0 DBADRM CO[C@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)[C@](C)(C(=O)[O-])C1 ZINC000634693845 374581016 /nfs/dbraw/zinc/58/10/16/374581016.db2.gz IXLVNGSSPLHONU-YGRLFVJLSA-N -1 0 311.338 -0.852 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000085856115 374581707 /nfs/dbraw/zinc/58/17/07/374581707.db2.gz BKOBDXJFSRRZTO-GFCCVEGCSA-N -1 0 314.319 -0.693 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634698325 374592285 /nfs/dbraw/zinc/59/22/85/374592285.db2.gz IYQHRYIVWIXTDD-SDDRHHMPSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)CC[C@H]1C(=O)[O-] ZINC000634698599 374593285 /nfs/dbraw/zinc/59/32/85/374593285.db2.gz RKFJBUIPPHJWRV-WISYIIOYSA-N -1 0 310.350 -0.340 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634698434 374593376 /nfs/dbraw/zinc/59/33/76/374593376.db2.gz LQYPPGNQHJPTCZ-KXNHARMFSA-N -1 0 310.350 -0.340 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C(=O)NCCNS(=O)(=O)CC)C1CC1 ZINC000568349748 374594070 /nfs/dbraw/zinc/59/40/70/374594070.db2.gz NVCXXOKOEPKASA-JTQLQIEISA-N -1 0 321.399 -0.037 20 0 DBADRM CCCCN(C)S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000089696423 374635448 /nfs/dbraw/zinc/63/54/48/374635448.db2.gz HXLLIPRXPRCLJT-UHFFFAOYSA-N -1 0 305.360 -0.457 20 0 DBADRM CCO[C@@H]1C[C@H](NS(=O)(=O)[C@@H]2CC(=O)N(CC)C2)[C@@H]1OC ZINC000632212092 374615794 /nfs/dbraw/zinc/61/57/94/374615794.db2.gz FZSRIXPUXAGLSG-XZUYRWCXSA-N -1 0 320.411 -0.281 20 0 DBADRM CCO[C@@H]1C[C@H](NS(=O)(=O)[C@H]2CC(=O)N(CC)C2)[C@@H]1OC ZINC000632212089 374616764 /nfs/dbraw/zinc/61/67/64/374616764.db2.gz FZSRIXPUXAGLSG-KQXIARHKSA-N -1 0 320.411 -0.281 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCc2c[nH]nc2C1)[C@@H](C)C(=O)[O-] ZINC000584191402 374645152 /nfs/dbraw/zinc/64/51/52/374645152.db2.gz FOTDTNZGVISESZ-GXSJLCMTSA-N -1 0 322.365 -0.048 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-][C@H]1COCCC1=O)C1CCOCC1 ZINC000625492380 374659396 /nfs/dbraw/zinc/65/93/96/374659396.db2.gz QMPBAXQIYMWEPH-AAEUAGOBSA-N -1 0 321.395 -0.295 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)C(=O)[O-] ZINC000393594029 374661355 /nfs/dbraw/zinc/66/13/55/374661355.db2.gz BMJXDGJYDZAGQN-OPRDCNLKSA-N -1 0 322.383 -0.185 20 0 DBADRM CNS(=O)(=O)c1ccc2c(c1)N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC000092643104 374805303 /nfs/dbraw/zinc/80/53/03/374805303.db2.gz RIKFQFPEBXKGDY-UHFFFAOYSA-N -1 0 309.351 -0.431 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000400107732 374808125 /nfs/dbraw/zinc/80/81/25/374808125.db2.gz DKEPHSHWYHTABE-KXUCPTDWSA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N[C@H](C(=O)[O-])C2CC2)C1 ZINC000400112890 374809307 /nfs/dbraw/zinc/80/93/07/374809307.db2.gz GSDQOLBBKSJAIY-ZJUUUORDSA-N -1 0 319.383 -0.427 20 0 DBADRM O=C(CN1CCN2C(=O)NC[C@H]2C1)[N-]OCc1ccccc1 ZINC000093188134 374809789 /nfs/dbraw/zinc/80/97/89/374809789.db2.gz JGOCIDXQYHTODD-ZDUSSCGKSA-N -1 0 304.350 -0.056 20 0 DBADRM CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000127053774 374766585 /nfs/dbraw/zinc/76/65/85/374766585.db2.gz FNFRGSMSRUBRER-ZETCQYMHSA-N -1 0 319.339 -0.127 20 0 DBADRM COC(=O)C[C@@H]1CN(S(=O)(=O)[N-]CC(F)(F)F)CCO1 ZINC000127713390 374771501 /nfs/dbraw/zinc/77/15/01/374771501.db2.gz HALJLYFVZQKRCU-SSDOTTSWSA-N -1 0 320.289 -0.353 20 0 DBADRM Cn1cc([C@H](NS(=O)(=O)C[C@H]2CCCO2)C(=O)[O-])cn1 ZINC000130818171 374774701 /nfs/dbraw/zinc/77/47/01/374774701.db2.gz BYLMUHGWWYUWRU-ZJUUUORDSA-N -1 0 303.340 -0.356 20 0 DBADRM Cn1cc([C@H](NS(=O)(=O)C[C@@H]2CCCO2)C(=O)[O-])cn1 ZINC000130817772 374775114 /nfs/dbraw/zinc/77/51/14/374775114.db2.gz BYLMUHGWWYUWRU-UWVGGRQHSA-N -1 0 303.340 -0.356 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000600502677 374787404 /nfs/dbraw/zinc/78/74/04/374787404.db2.gz RHYKUEGNBACWBP-VIFPVBQESA-N -1 0 310.383 -0.092 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)c2cccc(C(=O)[O-])n2)C1 ZINC000400254563 374900695 /nfs/dbraw/zinc/90/06/95/374900695.db2.gz FAMBCZFKQHZPFI-QMMMGPOBSA-N -1 0 313.335 -0.457 20 0 DBADRM COCCN1C[C@@H](C(=O)NC2(c3nnn[n-]3)CCCC2)CC1=O ZINC000605531724 374882390 /nfs/dbraw/zinc/88/23/90/374882390.db2.gz NDRWQWXFLDWXTQ-JTQLQIEISA-N -1 0 322.369 -0.420 20 0 DBADRM CC[C@@](C)(NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400198133 374890321 /nfs/dbraw/zinc/89/03/21/374890321.db2.gz PWTIXXRVQGIXRE-GZMMTYOYSA-N -1 0 307.372 -0.427 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(OC)n[nH]2)cn1 ZINC000600658036 374836218 /nfs/dbraw/zinc/83/62/18/374836218.db2.gz CIECEGPVYZABJA-UHFFFAOYSA-N -1 0 315.311 -0.411 20 0 DBADRM COC(=O)CCCS(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000600657112 374837318 /nfs/dbraw/zinc/83/73/18/374837318.db2.gz CIHZUHXPZITIKH-UHFFFAOYSA-N -1 0 317.323 -0.453 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)c1cc(C(=O)NC)n(C)c1)C(=O)[O-] ZINC000094220776 374840300 /nfs/dbraw/zinc/84/03/00/374840300.db2.gz LHPABRQMOVFSFL-GFCCVEGCSA-N -1 0 317.367 -0.084 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)NC2(C(=O)[O-])CC2)C1 ZINC000400145142 374853163 /nfs/dbraw/zinc/85/31/63/374853163.db2.gz YTIYPZGJOISQOY-QMMMGPOBSA-N -1 0 305.356 -0.673 20 0 DBADRM COC(=O)c1cnn(CC(=O)NCCCc2n[nH]c(=O)[n-]2)c1 ZINC000600821260 374858953 /nfs/dbraw/zinc/85/89/53/374858953.db2.gz AQHMNNYQJKXGOP-UHFFFAOYSA-N -1 0 308.298 -0.758 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000600839248 374860805 /nfs/dbraw/zinc/86/08/05/374860805.db2.gz QZKKCIDGZFJUPZ-SNVBAGLBSA-N -1 0 321.289 -0.316 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000625955237 374947436 /nfs/dbraw/zinc/94/74/36/374947436.db2.gz WZHLZQIJWBMPBQ-DTWKUNHWSA-N -1 0 322.321 -0.007 20 0 DBADRM O=C(NCC1(O)CCCC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000114388624 374971107 /nfs/dbraw/zinc/97/11/07/374971107.db2.gz FHIJKSDFWRBHOV-UHFFFAOYSA-N -1 0 304.306 -0.354 20 0 DBADRM CC(C)C[C@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400276174 374905053 /nfs/dbraw/zinc/90/50/53/374905053.db2.gz GRJVXLVCZLBZSF-UWVGGRQHSA-N -1 0 321.399 -0.181 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCCC[C@@H]2C(=O)[O-])C1 ZINC000400305619 374909388 /nfs/dbraw/zinc/90/93/88/374909388.db2.gz RJGZUEHRRMEMTQ-NXEZZACHSA-N -1 0 319.383 -0.331 20 0 DBADRM CCC(CC)(NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400313269 374913465 /nfs/dbraw/zinc/91/34/65/374913465.db2.gz VKFRXSIQNMJRTK-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM C[C@@H](CCO)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000121210628 375039294 /nfs/dbraw/zinc/03/92/94/375039294.db2.gz XGQBINGUBJAQOZ-LURJTMIESA-N -1 0 320.143 -0.814 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CCC[C@H]2C(=O)[O-])CCN1S(C)(=O)=O ZINC000634910532 375072294 /nfs/dbraw/zinc/07/22/94/375072294.db2.gz DIOFIGZGVINMNG-GARJFASQSA-N -1 0 318.395 -0.020 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000634918958 375073539 /nfs/dbraw/zinc/07/35/39/375073539.db2.gz CJQCVYPMUAZLBU-UWVGGRQHSA-N -1 0 304.368 -0.411 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000634922832 375076450 /nfs/dbraw/zinc/07/64/50/375076450.db2.gz LTDGLWSHJAPEGV-QWRGUYRKSA-N -1 0 318.395 -0.019 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2C(=O)[O-])CCN1S(C)(=O)=O ZINC000634929072 375076817 /nfs/dbraw/zinc/07/68/17/375076817.db2.gz DIOFIGZGVINMNG-VWYCJHECSA-N -1 0 318.395 -0.020 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)[C@H]2CCC[C@H]2C(=O)[O-])CC1 ZINC000634924890 375077324 /nfs/dbraw/zinc/07/73/24/375077324.db2.gz LKHLCJJPUXISAI-WDEREUQCSA-N -1 0 307.354 -0.035 20 0 DBADRM O=C(CNC(=O)c1ccc(O)cc1)NCCCc1n[nH]c(=O)[n-]1 ZINC000531119704 375079901 /nfs/dbraw/zinc/07/99/01/375079901.db2.gz XUAULKUGHQVQDB-UHFFFAOYSA-N -1 0 319.321 -0.305 20 0 DBADRM CN1CCN(CC(=O)N[C@H](c2nnn[n-]2)c2ccccc2)CC1 ZINC000600965267 375085732 /nfs/dbraw/zinc/08/57/32/375085732.db2.gz IWLJBKCWQHTMBB-AWEZNQCLSA-N -1 0 315.381 -0.347 20 0 DBADRM CCN1CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C(=O)C1=O ZINC000262689029 375049493 /nfs/dbraw/zinc/04/94/93/375049493.db2.gz VPIMVURIQDVBGE-SNVBAGLBSA-N -1 0 313.354 -0.707 20 0 DBADRM COC[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1 ZINC000122525512 375050398 /nfs/dbraw/zinc/05/03/98/375050398.db2.gz UACLNRRPCJBIPJ-SNVBAGLBSA-N -1 0 304.306 -0.234 20 0 DBADRM CCNC(=O)N1CCN(C(=O)[C@@H](C)O[C@@H](C)C(=O)[O-])CC1 ZINC000634855268 375060816 /nfs/dbraw/zinc/06/08/16/375060816.db2.gz DBWBBXQOLFDKOW-ZJUUUORDSA-N -1 0 301.343 -0.262 20 0 DBADRM O=C([O-])[C@@]1(CC(=O)N2CCS(=O)(=O)CC2)CCSC1 ZINC000634851088 375061714 /nfs/dbraw/zinc/06/17/14/375061714.db2.gz UTZBRZTUBIOZET-LLVKDONJSA-N -1 0 307.393 -0.159 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NC[C@H](C)CC(=O)[O-])cn1C ZINC000147317959 375127470 /nfs/dbraw/zinc/12/74/70/375127470.db2.gz DKFOUJXDBHSLHE-MRVPVSSYSA-N -1 0 317.367 -0.226 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCCN(C)C2=O)C1 ZINC000635511526 375137731 /nfs/dbraw/zinc/13/77/31/375137731.db2.gz QYCVVVKBRJVQBH-HZMBPMFUSA-N -1 0 313.354 -0.260 20 0 DBADRM CCC(=O)N1CCCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC000635522100 375138336 /nfs/dbraw/zinc/13/83/36/375138336.db2.gz PKMZGSFEFXULKE-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM CN(C(=O)NCCOCC(=O)[O-])[C@H]1CCCCN(C)C1=O ZINC000635523287 375138554 /nfs/dbraw/zinc/13/85/54/375138554.db2.gz NTHWLHIIAXMRKY-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM COC(=O)N[C@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)C(C)C ZINC000363518210 375156377 /nfs/dbraw/zinc/15/63/77/375156377.db2.gz SHXHDLSYJHOFPM-BDAKNGLRSA-N -1 0 312.330 -0.520 20 0 DBADRM O=C(CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCO1)N1CCCC1 ZINC000091587729 375172633 /nfs/dbraw/zinc/17/26/33/375172633.db2.gz OKTBLYLZIGGQNJ-NSHDSACASA-N -1 0 309.370 -0.299 20 0 DBADRM O=c1[n-]c(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)n[nH]1 ZINC000091594654 375173053 /nfs/dbraw/zinc/17/30/53/375173053.db2.gz WKJBZFGYFIPVOW-VIFPVBQESA-N -1 0 301.372 -0.490 20 0 DBADRM O=C(CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCO1)N1CCCC1 ZINC000091587730 375173447 /nfs/dbraw/zinc/17/34/47/375173447.db2.gz OKTBLYLZIGGQNJ-LLVKDONJSA-N -1 0 309.370 -0.299 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])c1=O ZINC000262726794 375113569 /nfs/dbraw/zinc/11/35/69/375113569.db2.gz GTUIUBLBCVTDIF-BMIGLBTASA-N -1 0 323.349 -0.303 20 0 DBADRM CCOC(=O)c1nc([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)c[nH]1 ZINC000585730397 375242472 /nfs/dbraw/zinc/24/24/72/375242472.db2.gz PHFWNKVCNFHCJG-ZETCQYMHSA-N -1 0 318.355 -0.195 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000146882434 375246706 /nfs/dbraw/zinc/24/67/06/375246706.db2.gz NBUXRKJHNYZPTM-SFYZADRCSA-N -1 0 304.306 -0.139 20 0 DBADRM C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC000635954208 375289040 /nfs/dbraw/zinc/28/90/40/375289040.db2.gz LQGRWSBYPWKMNC-AAEUAGOBSA-N -1 0 313.365 -0.149 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000570284102 375348505 /nfs/dbraw/zinc/34/85/05/375348505.db2.gz BBEZKXYAVQYDDW-BBBLOLIVSA-N -1 0 306.384 -0.022 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000570393997 375357823 /nfs/dbraw/zinc/35/78/23/375357823.db2.gz ZFTAYNXPBRXSSQ-YITVBPOHSA-N -1 0 324.424 -0.379 20 0 DBADRM Cn1c(N2CCC[C@@H]2CC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000570399891 375357886 /nfs/dbraw/zinc/35/78/86/375357886.db2.gz PLYZODJTJQMTCE-SSDOTTSWSA-N -1 0 307.310 -0.184 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])s1 ZINC000570697811 375384777 /nfs/dbraw/zinc/38/47/77/375384777.db2.gz BAYHYICRSHHGJN-RXMQYKEDSA-N -1 0 309.321 -0.742 20 0 DBADRM CC(=O)NCCN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000308163992 375457946 /nfs/dbraw/zinc/45/79/46/375457946.db2.gz PGIANHRNRCHFOE-UHFFFAOYSA-N -1 0 303.340 -0.520 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2CCOC[C@H]2C(=O)[O-])CCC1 ZINC000589681093 375461077 /nfs/dbraw/zinc/46/10/77/375461077.db2.gz ZLUVOXZRTANXOV-VIFPVBQESA-N -1 0 321.351 -0.555 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)C1 ZINC000331962798 304190454 /nfs/dbraw/zinc/19/04/54/304190454.db2.gz PROAANVGNOGRDE-AXFHLTTASA-N -1 0 323.349 -0.811 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCSCC(=O)[O-] ZINC000389421083 375419405 /nfs/dbraw/zinc/41/94/05/375419405.db2.gz ZBCOTCDJIQPLAV-SECBINFHSA-N -1 0 324.424 -0.266 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000580193617 375447570 /nfs/dbraw/zinc/44/75/70/375447570.db2.gz LHBOODCCDVYWDO-AXFHLTTASA-N -1 0 308.338 -0.138 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000590410685 375536922 /nfs/dbraw/zinc/53/69/22/375536922.db2.gz XXUTUEKBVHYHGT-LLVKDONJSA-N -1 0 300.336 -0.132 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000368524214 375540967 /nfs/dbraw/zinc/54/09/67/375540967.db2.gz AMAWNEMXZLZCLI-DBIOUOCHSA-N -1 0 322.383 -0.486 20 0 DBADRM O=C(NC[C@@H]1CN2CCN1CC2)c1ccc2c(c1)C(=O)NC2=O ZINC000178975016 375514674 /nfs/dbraw/zinc/51/46/74/375514674.db2.gz LATSRONFPWXNKJ-LLVKDONJSA-N -1 0 314.345 -0.700 20 0 DBADRM C[C@@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1C(=O)[O-] ZINC000318833497 375565487 /nfs/dbraw/zinc/56/54/87/375565487.db2.gz XZDOCYHLKVAKHQ-SKDRFNHKSA-N -1 0 309.322 -0.741 20 0 DBADRM CCCCOCCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643150641 375613254 /nfs/dbraw/zinc/61/32/54/375613254.db2.gz HPMZJUHIMQITAT-LLVKDONJSA-N -1 0 316.354 -0.379 20 0 DBADRM COc1cccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000643151176 375615383 /nfs/dbraw/zinc/61/53/83/375615383.db2.gz AKDIKENQOCEKGD-LBPRGKRZSA-N -1 0 322.317 -0.377 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2cccs2)CCO1 ZINC000643151703 375616178 /nfs/dbraw/zinc/61/61/78/375616178.db2.gz NTMRZMHXNCIUNC-SNVBAGLBSA-N -1 0 312.347 -0.281 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCCOCC2CC2)CCO1 ZINC000643152634 375622918 /nfs/dbraw/zinc/62/29/18/375622918.db2.gz RYPKKKWAHJIOES-NSHDSACASA-N -1 0 314.338 -0.769 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCc2nnnn2C)c1 ZINC000601467976 375625850 /nfs/dbraw/zinc/62/58/50/375625850.db2.gz BUECGSYFLJQWCR-OAQYLSRUSA-N -1 0 309.351 -0.357 20 0 DBADRM CCCCOCCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643150642 375612139 /nfs/dbraw/zinc/61/21/39/375612139.db2.gz HPMZJUHIMQITAT-NSHDSACASA-N -1 0 316.354 -0.379 20 0 DBADRM O=S(=O)(C[C@@H](O)CO)c1n[nH]c(Cc2cccs2)n1 ZINC000195162264 375647844 /nfs/dbraw/zinc/64/78/44/375647844.db2.gz FVLJZAWCDRKDCS-ZETCQYMHSA-N -1 0 303.365 -0.416 20 0 DBADRM CCCC[C@H](COC)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643164225 375651523 /nfs/dbraw/zinc/65/15/23/375651523.db2.gz BBUDQINUOKBKFZ-MNOVXSKESA-N -1 0 316.354 -0.380 20 0 DBADRM COCCOCCS(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000364398710 375632700 /nfs/dbraw/zinc/63/27/00/375632700.db2.gz FITKVPWQEWLPLF-SNVBAGLBSA-N -1 0 311.356 -0.845 20 0 DBADRM CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643159663 375639651 /nfs/dbraw/zinc/63/96/51/375639651.db2.gz YDQASEUGERZCKR-GMTAPVOTSA-N -1 0 314.338 -0.770 20 0 DBADRM COc1cccc2c1OC[C@H](NC(=O)C(=O)NCCC(=O)[O-])C2 ZINC000643160559 375644318 /nfs/dbraw/zinc/64/43/18/375644318.db2.gz RDPDCOFCMSMCOD-SNVBAGLBSA-N -1 0 322.317 -0.294 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H](CO)Cc1ccccc1 ZINC000616931940 375675255 /nfs/dbraw/zinc/67/52/55/375675255.db2.gz JHDXKJPBWFRADA-SNVBAGLBSA-N -1 0 304.306 -0.042 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N(CCOCCO)C1CCC1 ZINC000616954300 375683136 /nfs/dbraw/zinc/68/31/36/375683136.db2.gz RRMZHVSJUZIREF-UHFFFAOYSA-N -1 0 316.383 -0.008 20 0 DBADRM CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1(C)C ZINC000643168630 375687839 /nfs/dbraw/zinc/68/78/39/375687839.db2.gz SAQSINFPFUEPSG-IVZWLZJFSA-N -1 0 314.338 -0.772 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000590899788 375699722 /nfs/dbraw/zinc/69/97/22/375699722.db2.gz OVCMQUYFZBWFRO-RQJHMYQMSA-N -1 0 319.339 -0.026 20 0 DBADRM CC[C@@H](CSC)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591459073 375715980 /nfs/dbraw/zinc/71/59/80/375715980.db2.gz DXSSQRYCEMAEKE-DTWKUNHWSA-N -1 0 304.368 -0.444 20 0 DBADRM CC[C@@H](CSC)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591459074 375716011 /nfs/dbraw/zinc/71/60/11/375716011.db2.gz DXSSQRYCEMAEKE-IUCAKERBSA-N -1 0 304.368 -0.444 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)CCOCC1CCC1 ZINC000592043963 375765985 /nfs/dbraw/zinc/76/59/85/375765985.db2.gz VUOOANQSDKZRAQ-LLVKDONJSA-N -1 0 309.384 -0.354 20 0 DBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)C[C@@H](OC)C1CC1)C(=O)OC ZINC000592012206 375766206 /nfs/dbraw/zinc/76/62/06/375766206.db2.gz LATHYFQOSYYGQQ-NXEZZACHSA-N -1 0 323.367 -0.565 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)C[C@H](OC)C(C)C)CCOC1 ZINC000592036260 375771282 /nfs/dbraw/zinc/77/12/82/375771282.db2.gz PHKAQNDQFCFCJG-CMPLNLGQSA-N -1 0 309.384 -0.091 20 0 DBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)C[C@H](OC)C(C)C)n1 ZINC000592382604 375796660 /nfs/dbraw/zinc/79/66/60/375796660.db2.gz QUBYIKKHHKBRQO-VIFPVBQESA-N -1 0 320.371 -0.136 20 0 DBADRM CSCCCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000592439852 375803841 /nfs/dbraw/zinc/80/38/41/375803841.db2.gz GMRMOTPHFFJAEQ-UHFFFAOYSA-N -1 0 318.395 -0.147 20 0 DBADRM CSC[C@H](C)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000592439968 375804329 /nfs/dbraw/zinc/80/43/29/375804329.db2.gz COMMWGORNYZFIA-VIFPVBQESA-N -1 0 318.395 -0.148 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000592457505 375804468 /nfs/dbraw/zinc/80/44/68/375804468.db2.gz CWDSDQGGKBRLCF-UWVGGRQHSA-N -1 0 322.383 -0.231 20 0 DBADRM COCCN(C)S(=O)(=O)NCCSC[C@H](C)C(=O)[O-] ZINC000592447885 375804477 /nfs/dbraw/zinc/80/44/77/375804477.db2.gz HESIVMNHSFCYIX-VIFPVBQESA-N -1 0 314.429 -0.147 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000592440626 375804559 /nfs/dbraw/zinc/80/45/59/375804559.db2.gz SSHGBIIMGTZXEZ-VHSXEESVSA-N -1 0 314.338 -0.186 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc3c(c2)nnn3C)c1[O-] ZINC000592464373 375806566 /nfs/dbraw/zinc/80/65/66/375806566.db2.gz BUBPTSNKEBKWMH-SNVBAGLBSA-N -1 0 303.278 -0.044 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc3c(c2)nnn3C)c1[O-] ZINC000592464371 375807345 /nfs/dbraw/zinc/80/73/45/375807345.db2.gz BUBPTSNKEBKWMH-JTQLQIEISA-N -1 0 303.278 -0.044 20 0 DBADRM CC1(C)SC[C@H]1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643172748 375814168 /nfs/dbraw/zinc/81/41/68/375814168.db2.gz VPEVGJQCBUDSPQ-HTQZYQBOSA-N -1 0 302.352 -0.691 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCOC[C@@H]1C(=O)[O-])C(=O)OC ZINC000592988556 375841064 /nfs/dbraw/zinc/84/10/64/375841064.db2.gz IBHCCIWSSWTYSF-UMNHJUIQSA-N -1 0 316.354 -0.524 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000592993290 375841379 /nfs/dbraw/zinc/84/13/79/375841379.db2.gz OBRZWVAOEDJRTA-UHFFFAOYSA-N -1 0 309.278 -0.730 20 0 DBADRM CSCC[C@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000593250804 375853099 /nfs/dbraw/zinc/85/30/99/375853099.db2.gz DWPVWBVRRMUIEV-SFYZADRCSA-N -1 0 312.413 -0.411 20 0 DBADRM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000593919883 375897166 /nfs/dbraw/zinc/89/71/66/375897166.db2.gz CPXJKSJCDDSMBY-MNOVXSKESA-N -1 0 308.290 -0.082 20 0 DBADRM CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2cn(C)cn2)n1 ZINC000594462227 375932783 /nfs/dbraw/zinc/93/27/83/375932783.db2.gz MQOGXMVEEAKUNS-UHFFFAOYSA-N -1 0 313.339 -0.020 20 0 DBADRM CCOC(=O)C1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000594547001 375934399 /nfs/dbraw/zinc/93/43/99/375934399.db2.gz ZEYMORDUCDXVPP-SECBINFHSA-N -1 0 314.338 -0.375 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)C[S@@](C)=O)C(=O)[O-] ZINC000594530000 375935745 /nfs/dbraw/zinc/93/57/45/375935745.db2.gz OPQYMWKXZAXCKN-SNGHESPRSA-N -1 0 306.384 -0.657 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCC1([S@@](C)=O)CCC1)C(=O)[O-] ZINC000594530793 375935948 /nfs/dbraw/zinc/93/59/48/375935948.db2.gz UKBYRJYNOIQVCA-FFVOIRBGSA-N -1 0 304.368 -0.759 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCC1([S@](C)=O)CC1)C(=O)[O-] ZINC000594530751 375936359 /nfs/dbraw/zinc/93/63/59/375936359.db2.gz SVSVMZVFLLTTQF-BTKVJGODSA-N -1 0 318.395 -0.513 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc3c(n2)OCCO3)c1[O-] ZINC000594683473 375941301 /nfs/dbraw/zinc/94/13/01/375941301.db2.gz AEWVBLWPTYIYSE-SECBINFHSA-N -1 0 307.262 -0.159 20 0 DBADRM COC(=O)C1CCN(C(=O)CN(C)Cc2n[n-]c(=O)o2)CC1 ZINC000595550786 376015580 /nfs/dbraw/zinc/01/55/80/376015580.db2.gz COBGWVIKHKQUHF-UHFFFAOYSA-N -1 0 312.326 -0.381 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN(C)Cc1n[n-]c(=O)o1 ZINC000595552498 376015639 /nfs/dbraw/zinc/01/56/39/376015639.db2.gz XIBTUMHTDCIILN-ZETCQYMHSA-N -1 0 301.303 -0.932 20 0 DBADRM CN(CC(=O)NCC(=O)OC(C)(C)C)Cc1n[n-]c(=O)o1 ZINC000595546359 376015826 /nfs/dbraw/zinc/01/58/26/376015826.db2.gz GALAGAMBZXHOBK-UHFFFAOYSA-N -1 0 300.315 -0.335 20 0 DBADRM COC(=O)Cc1ccccc1NC(=O)C(=O)N[C@H](C)C(=O)[O-] ZINC000595238425 375985736 /nfs/dbraw/zinc/98/57/36/375985736.db2.gz RZPWEVUWTUOKNR-MRVPVSSYSA-N -1 0 308.290 -0.070 20 0 DBADRM COC(=O)C[C@@H](CNC(=O)C(=O)N(C)CCC(=O)[O-])C1CC1 ZINC000595275819 375989458 /nfs/dbraw/zinc/98/94/58/375989458.db2.gz JSTJIZWSHLOYSJ-JTQLQIEISA-N -1 0 314.338 -0.375 20 0 DBADRM COC(=O)[C@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000595275755 375989736 /nfs/dbraw/zinc/98/97/36/375989736.db2.gz HQUJSOQZAFGBGR-HLTSFMKQSA-N -1 0 300.311 -0.767 20 0 DBADRM COC(=O)C[C@@H](C)N1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC1 ZINC000595994371 376065231 /nfs/dbraw/zinc/06/52/31/376065231.db2.gz HQMVFXCYEDUEHR-QMTHXVAHSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)c1oc(S(=O)(=O)NCCOCC(=O)[O-])cc1C ZINC000596034806 376066116 /nfs/dbraw/zinc/06/61/16/376066116.db2.gz MCLOKAUEMTXMDU-UHFFFAOYSA-N -1 0 321.307 -0.246 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccnc(OCCO)c2)c1[O-] ZINC000596028157 376066358 /nfs/dbraw/zinc/06/63/58/376066358.db2.gz IYHLBTHVDVNGHY-JTQLQIEISA-N -1 0 309.278 -0.559 20 0 DBADRM COC(=O)c1oc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc1C ZINC000596024545 376066594 /nfs/dbraw/zinc/06/65/94/376066594.db2.gz SGZNYVPOBCJLRD-LLVKDONJSA-N -1 0 321.307 -0.511 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@](C)(OC)C(=O)[O-])C[C@@H]1C ZINC000595999237 376066689 /nfs/dbraw/zinc/06/66/89/376066689.db2.gz KTMKJRXDVGHHRY-HZMBPMFUSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)[C@@]1(NC(=O)c2ccc3oc(=O)nc-3[n-]2)CCOC1 ZINC000597369000 376129249 /nfs/dbraw/zinc/12/92/49/376129249.db2.gz HSTQCBUJOUZAHP-CYBMUJFWSA-N -1 0 307.262 -0.010 20 0 DBADRM COC(=O)CCN1CCN(C(=O)c2cc(=O)n(C)[n-]2)C[C@@H]1C ZINC000597470219 376137156 /nfs/dbraw/zinc/13/71/56/376137156.db2.gz NIUXMNPYOBUZBJ-JTQLQIEISA-N -1 0 310.354 -0.165 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](C(=O)OC)C2)co1 ZINC000598515573 376211588 /nfs/dbraw/zinc/21/15/88/376211588.db2.gz NMDPASSLXBCQAH-XWEPSHTISA-N -1 0 316.335 -0.131 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000597807260 376181214 /nfs/dbraw/zinc/18/12/14/376181214.db2.gz HJUHGGAAWSPNDN-SFYZADRCSA-N -1 0 321.289 -0.076 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)NCC(F)(F)CO)cc1 ZINC000184293730 376187441 /nfs/dbraw/zinc/18/74/41/376187441.db2.gz YKBQURIJSQPCDI-UHFFFAOYSA-N -1 0 308.306 -0.048 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H]1COCCN1 ZINC000599106742 376244146 /nfs/dbraw/zinc/24/41/46/376244146.db2.gz HUOMNPMUQKELBJ-SSDOTTSWSA-N -1 0 321.380 -0.804 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCNC(=O)C(C)C)on1 ZINC000599206387 376255264 /nfs/dbraw/zinc/25/52/64/376255264.db2.gz HEEAJJHWRNUNGW-UHFFFAOYSA-N -1 0 319.339 -0.488 20 0 DBADRM COC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599240049 376256418 /nfs/dbraw/zinc/25/64/18/376256418.db2.gz FQIOIYKZLQVIMY-JTQLQIEISA-N -1 0 308.312 -0.863 20 0 DBADRM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599206766 376256532 /nfs/dbraw/zinc/25/65/32/376256532.db2.gz JGELBGDGKFICMI-LURJTMIESA-N -1 0 305.312 -0.736 20 0 DBADRM COCCOC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599243449 376257049 /nfs/dbraw/zinc/25/70/49/376257049.db2.gz WGZAMZGMHDKMQQ-MRVPVSSYSA-N -1 0 322.339 -0.209 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C2(CO)CC2)on1 ZINC000599350933 376281713 /nfs/dbraw/zinc/28/17/13/376281713.db2.gz BMTCAZGIXQIRKM-ZETCQYMHSA-N -1 0 304.324 -0.100 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCN(C)C2=O)on1 ZINC000599249430 376264404 /nfs/dbraw/zinc/26/44/04/376264404.db2.gz BLJXFLBIPJUGQP-ZETCQYMHSA-N -1 0 317.323 -0.640 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C2(CC(N)=O)CCC2)on1 ZINC000599258528 376264681 /nfs/dbraw/zinc/26/46/81/376264681.db2.gz HVDNLHGVHWNNAK-UHFFFAOYSA-N -1 0 317.323 -0.462 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2O)on1 ZINC000599249163 376265038 /nfs/dbraw/zinc/26/50/38/376265038.db2.gz SHXMPMASYGFQGO-IONNQARKSA-N -1 0 304.324 -0.100 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(N)=O)C(C)(C)C)on1 ZINC000599259600 376266461 /nfs/dbraw/zinc/26/64/61/376266461.db2.gz NVGDDLHYNYCJHP-MRVPVSSYSA-N -1 0 319.339 -0.361 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cnn(C)c2C)on1 ZINC000599265477 376267270 /nfs/dbraw/zinc/26/72/70/376267270.db2.gz LDNSWEXZGKXDTM-UHFFFAOYSA-N -1 0 314.323 -0.018 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)[C@H](CO)SC)on1 ZINC000599267172 376268040 /nfs/dbraw/zinc/26/80/40/376268040.db2.gz SIJWRRAVFZOHEW-XPUUQOCRSA-N -1 0 324.380 -0.148 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCCCC(N)=O)on1 ZINC000599272843 376268165 /nfs/dbraw/zinc/26/81/65/376268165.db2.gz MQDAWKKMRLMZBK-UHFFFAOYSA-N -1 0 305.312 -0.605 20 0 DBADRM COC[C@H](CCO)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599267394 376268463 /nfs/dbraw/zinc/26/84/63/376268463.db2.gz WHEGCOHOIWMUBF-ZETCQYMHSA-N -1 0 308.312 -0.863 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@H](O)C2(C)C)on1 ZINC000599281916 376270081 /nfs/dbraw/zinc/27/00/81/376270081.db2.gz XHPHQXWMFAZBQO-SFYZADRCSA-N -1 0 304.324 -0.101 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)OCCO)on1 ZINC000599315092 376274713 /nfs/dbraw/zinc/27/47/13/376274713.db2.gz IYQJDKQGAWLAMS-UHFFFAOYSA-N -1 0 322.339 -0.473 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCCC(=O)N2)on1 ZINC000599293110 376278148 /nfs/dbraw/zinc/27/81/48/376278148.db2.gz QWGWMGHQFNKDFM-ZETCQYMHSA-N -1 0 317.323 -0.592 20 0 DBADRM COC(=O)c1cnn(CC(=O)N(C)C[C@H](C)c2nnn[n-]2)c1 ZINC000599762381 376334985 /nfs/dbraw/zinc/33/49/85/376334985.db2.gz PHIUAQVUBMHJCX-QMMMGPOBSA-N -1 0 307.314 -0.555 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000599938336 376348041 /nfs/dbraw/zinc/34/80/41/376348041.db2.gz NRVBYSHIGAAHQS-UWVGGRQHSA-N -1 0 314.338 -0.375 20 0 DBADRM COc1ccc(N2C[C@@H](C(=O)NCc3nnn[n-]3)CC2=O)cc1 ZINC000599334425 376283301 /nfs/dbraw/zinc/28/33/01/376283301.db2.gz MGGOCSKDQGJBIT-VIFPVBQESA-N -1 0 316.321 -0.122 20 0 DBADRM CCOc1ccc(C(=O)NCC(=O)NCc2nnn[n-]2)cc1 ZINC000599334569 376283424 /nfs/dbraw/zinc/28/34/24/376283424.db2.gz PUABBFHLUHNZRV-UHFFFAOYSA-N -1 0 304.310 -0.355 20 0 DBADRM CCn1c2ccc(C(=O)NCc3nnn[n-]3)cc2[nH]c(=O)c1=O ZINC000599334738 376283465 /nfs/dbraw/zinc/28/34/65/376283465.db2.gz RTDZYOXLOZVUPG-UHFFFAOYSA-N -1 0 315.293 -0.847 20 0 DBADRM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1nnn[n-]1 ZINC000599334637 376283816 /nfs/dbraw/zinc/28/38/16/376283816.db2.gz OFHLHOCWLPTMPK-DTORHVGOSA-N -1 0 306.326 -0.619 20 0 DBADRM C[C@H](C(=O)NCc1nnn[n-]1)N1C(=O)NC2(CCCC2)C1=O ZINC000599377213 376284699 /nfs/dbraw/zinc/28/46/99/376284699.db2.gz ORLDXSJGXGOZAG-SSDOTTSWSA-N -1 0 307.314 -0.931 20 0 DBADRM O=C(COc1ccc2c(c1)CCC(=O)N2)NCc1nnn[n-]1 ZINC000599377752 376287700 /nfs/dbraw/zinc/28/77/00/376287700.db2.gz ZRIDFACHJBQNDO-UHFFFAOYSA-N -1 0 302.294 -0.220 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](O)[C@H]2CCCO2)on1 ZINC000599392020 376291612 /nfs/dbraw/zinc/29/16/12/376291612.db2.gz OXVKNLYWICFLPS-DTWKUNHWSA-N -1 0 320.323 -0.721 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2COCCN2C)on1 ZINC000599453538 376303437 /nfs/dbraw/zinc/30/34/37/376303437.db2.gz UMCGCLPZVOPYSN-MRVPVSSYSA-N -1 0 319.339 -0.930 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000603011789 376511074 /nfs/dbraw/zinc/51/10/74/376511074.db2.gz QUUUMYXNUZTALC-JTQLQIEISA-N -1 0 321.289 -0.717 20 0 DBADRM O=C(NCCNC(=O)c1c(F)cccc1F)c1n[nH]c(=O)[n-]1 ZINC000602949793 376494720 /nfs/dbraw/zinc/49/47/20/376494720.db2.gz PJUIDWVJKWPDQR-UHFFFAOYSA-N -1 0 311.248 -0.052 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)CCn2ccnc2)CCOC1 ZINC000603291396 376538348 /nfs/dbraw/zinc/53/83/48/376538348.db2.gz DSDRABAUKVFZSE-LLVKDONJSA-N -1 0 303.340 -0.865 20 0 DBADRM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1nnn[n-]1 ZINC000604026647 376595580 /nfs/dbraw/zinc/59/55/80/376595580.db2.gz YCLXCKORQXLNLJ-SECBINFHSA-N -1 0 316.387 -0.590 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C(N)=O ZINC000055311297 376618765 /nfs/dbraw/zinc/61/87/65/376618765.db2.gz RSWFRUVDHSDDGG-ZETCQYMHSA-N -1 0 302.308 -0.075 20 0 DBADRM O=C([O-])CSCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000604491201 376630038 /nfs/dbraw/zinc/63/00/38/376630038.db2.gz JTXNCAHYSYCTNY-SECBINFHSA-N -1 0 307.393 -0.018 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1C#N ZINC000314632005 376648756 /nfs/dbraw/zinc/64/87/56/376648756.db2.gz FGGIEUSNNYOHEF-LBPRGKRZSA-N -1 0 311.319 -0.216 20 0 DBADRM O=C(CNC(=O)N1CCc2ccccc2C1)NCc1nnn[n-]1 ZINC000604867752 376665673 /nfs/dbraw/zinc/66/56/73/376665673.db2.gz IJCOJONVIYTNLA-UHFFFAOYSA-N -1 0 315.337 -0.416 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000319261788 376720802 /nfs/dbraw/zinc/72/08/02/376720802.db2.gz CVLQSPIBDSPDTF-MEBBXXQBSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000606117440 376726925 /nfs/dbraw/zinc/72/69/25/376726925.db2.gz NRPGLUCWBNWGSW-UHFFFAOYSA-N -1 0 318.293 -0.384 20 0 DBADRM COc1cc(C)c(NC(=O)C(=O)NCc2nnn[n-]2)cc1OC ZINC000606117614 376727344 /nfs/dbraw/zinc/72/73/44/376727344.db2.gz QULSZFOCFBHVCH-UHFFFAOYSA-N -1 0 320.309 -0.220 20 0 DBADRM CCn1ncc2ccc(NC(=O)C(=O)NCc3nnn[n-]3)cc21 ZINC000606117451 376727440 /nfs/dbraw/zinc/72/74/40/376727440.db2.gz OIESCYJCBMKHAY-UHFFFAOYSA-N -1 0 314.309 -0.176 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cc(F)c(F)cc1F ZINC000606117580 376727696 /nfs/dbraw/zinc/72/76/96/376727696.db2.gz PVYGPGSCBLECHZ-UHFFFAOYSA-N -1 0 300.200 -0.128 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)C(=O)[O-] ZINC000316673963 376696261 /nfs/dbraw/zinc/69/62/61/376696261.db2.gz UNNIVOWWJPRZTL-MLUIRONXSA-N -1 0 307.262 -0.474 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)CCOCC1 ZINC000317130268 376703261 /nfs/dbraw/zinc/70/32/61/376703261.db2.gz IPRFTIBTJNWLBO-SNVBAGLBSA-N -1 0 310.350 -0.005 20 0 DBADRM COc1ccc2c(c1)[n-]cc(C(=O)NC1=NCC(=O)N1)c2=O ZINC000617160455 376735790 /nfs/dbraw/zinc/73/57/90/376735790.db2.gz ZEXBNWVIUMNECJ-UHFFFAOYSA-N -1 0 300.274 -0.248 20 0 DBADRM O=C(NC[C@H]1COCCO1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000617194760 376737264 /nfs/dbraw/zinc/73/72/64/376737264.db2.gz ZFXHYGYMAZATGH-QMMMGPOBSA-N -1 0 306.278 -0.419 20 0 DBADRM CC(C)C[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)[O-] ZINC000262375307 376844127 /nfs/dbraw/zinc/84/41/27/376844127.db2.gz YAQXJMQZFAZDCS-JTQLQIEISA-N -1 0 311.338 -0.590 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])s1 ZINC000230022080 376845496 /nfs/dbraw/zinc/84/54/96/376845496.db2.gz PQPIRTHDVGEGFI-LURJTMIESA-N -1 0 307.353 -0.551 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000262399116 376876519 /nfs/dbraw/zinc/87/65/19/376876519.db2.gz LZBDNHIONSJTEQ-IUCAKERBSA-N -1 0 322.408 -0.798 20 0 DBADRM NC(=O)COCCNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000230956318 376881570 /nfs/dbraw/zinc/88/15/70/376881570.db2.gz NBYZRQDAKURCCZ-UHFFFAOYSA-N -1 0 308.337 -0.774 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]c1ccn(CC(=O)N(C)C)n1 ZINC000337754257 376881827 /nfs/dbraw/zinc/88/18/27/376881827.db2.gz KVBRSBWTGOHWDH-VIFPVBQESA-N -1 0 304.372 -0.252 20 0 DBADRM CCCNC(=O)CN(C)C(=O)Cn1[n-]c(SC)nc1=O ZINC000355932860 376908057 /nfs/dbraw/zinc/90/80/57/376908057.db2.gz DVLXKNBZBBHSQW-UHFFFAOYSA-N -1 0 301.372 -0.722 20 0 DBADRM CSc1nc(=O)n(CC(=O)NCC(=O)NC(C)(C)C)[n-]1 ZINC000355961482 376916920 /nfs/dbraw/zinc/91/69/20/376916920.db2.gz VVWLAJVXMXQNKU-UHFFFAOYSA-N -1 0 301.372 -0.676 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000262451911 376931125 /nfs/dbraw/zinc/93/11/25/376931125.db2.gz WOXHSKQFQLYIMV-UHFFFAOYSA-N -1 0 319.321 -0.236 20 0 DBADRM Cc1cc(C(=O)NC[C@](C)(O)CO)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000338619103 376945802 /nfs/dbraw/zinc/94/58/02/376945802.db2.gz ASCAFYKVEQJCLQ-ZDUSSCGKSA-N -1 0 308.294 -0.782 20 0 DBADRM C[C@H](CNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)C(=O)[O-] ZINC000262478245 376951458 /nfs/dbraw/zinc/95/14/58/376951458.db2.gz CVKGSZXJRUBZOB-SECBINFHSA-N -1 0 319.317 -0.083 20 0 DBADRM C[C@@H](CNC(=O)CNS(=O)(=O)c1cccs1)C(=O)[O-] ZINC000262489596 376963319 /nfs/dbraw/zinc/96/33/19/376963319.db2.gz FZCOXRKUIRVFFI-ZETCQYMHSA-N -1 0 306.365 -0.137 20 0 DBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1cccc2nonc21 ZINC000274966148 304201006 /nfs/dbraw/zinc/20/10/06/304201006.db2.gz BWPMEEHZRBUTSN-MRVPVSSYSA-N -1 0 313.291 -0.303 20 0 DBADRM O=C([O-])CN(C(=O)CS[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000037588652 182911079 /nfs/dbraw/zinc/91/10/79/182911079.db2.gz JDRGVAQNCRAWMT-VIFPVBQESA-N -1 0 307.393 -0.018 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](CO)C2CCC2)c1 ZINC000617316952 377006767 /nfs/dbraw/zinc/00/67/67/377006767.db2.gz OZVMYHJWOPXFOC-NSHDSACASA-N -1 0 314.363 -0.070 20 0 DBADRM C[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@@H](C(=O)[O-])O1 ZINC000263001967 377108414 /nfs/dbraw/zinc/10/84/14/377108414.db2.gz VEXMAKYXGZXERQ-BDAKNGLRSA-N -1 0 307.368 -0.100 20 0 DBADRM CCN(CC(=O)[O-])C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000531741815 377081203 /nfs/dbraw/zinc/08/12/03/377081203.db2.gz MQKYMKNANRLCLL-UHFFFAOYSA-N -1 0 300.336 -0.190 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000262888968 377101622 /nfs/dbraw/zinc/10/16/22/377101622.db2.gz NMNCFFKOCWJHHH-SSDOTTSWSA-N -1 0 316.335 -0.112 20 0 DBADRM COC(=O)CN(CCN1CCOCC1)C(=O)c1cncc(O)c1 ZINC000339939237 377158463 /nfs/dbraw/zinc/15/84/63/377158463.db2.gz VBGNCPQPUIRHDA-UHFFFAOYSA-N -1 0 323.349 -0.265 20 0 DBADRM O=C(Cc1[nH]c(O)nc1O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000339983116 377175494 /nfs/dbraw/zinc/17/54/94/377175494.db2.gz XROZRWZKXDFSBF-MRVPVSSYSA-N -1 0 301.266 -0.597 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@@H](C(=O)[O-])O1 ZINC000262186317 377267497 /nfs/dbraw/zinc/26/74/97/377267497.db2.gz HGMPAVYBZJZUFL-ZJUUUORDSA-N -1 0 320.305 -0.804 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3c[nH]cn3)cnc21 ZINC000571484236 377232541 /nfs/dbraw/zinc/23/25/41/377232541.db2.gz FFUKXBVTUWHDGH-UHFFFAOYSA-N -1 0 322.306 -0.442 20 0 DBADRM CNC(=O)C1(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000263292755 377249041 /nfs/dbraw/zinc/24/90/41/377249041.db2.gz RKMSTPPYNSWLHP-VIFPVBQESA-N -1 0 313.354 -0.756 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000261747389 377262406 /nfs/dbraw/zinc/26/24/06/377262406.db2.gz HAJGPLPIHOORQM-QMMMGPOBSA-N -1 0 318.376 -0.041 20 0 DBADRM CCC[C@@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000262285805 377270098 /nfs/dbraw/zinc/27/00/98/377270098.db2.gz MFJQCNHPUXBWSH-SECBINFHSA-N -1 0 318.355 -0.710 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000623102169 377203205 /nfs/dbraw/zinc/20/32/05/377203205.db2.gz JCPWSASUNGDDMP-UHFFFAOYSA-N -1 0 301.324 0.000 20 0 DBADRM Cc1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])ccc1F ZINC000264354804 377311045 /nfs/dbraw/zinc/31/10/45/377311045.db2.gz DUBIMWWUOXTDGM-UHFFFAOYSA-N -1 0 304.299 -0.387 20 0 DBADRM CCC[C@@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000262264183 377271180 /nfs/dbraw/zinc/27/11/80/377271180.db2.gz GZQXXQNMWXAAGI-MRVPVSSYSA-N -1 0 318.355 -0.932 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000262672744 377278329 /nfs/dbraw/zinc/27/83/29/377278329.db2.gz XNLMCPBMNHEGBB-VHSXEESVSA-N -1 0 308.338 -0.392 20 0 DBADRM CCN1CCN(CC(=O)N2CCCC[C@H]2C(=O)[O-])C(=O)C1=O ZINC000262649369 377279706 /nfs/dbraw/zinc/27/97/06/377279706.db2.gz JDMXGBRPCWVXJN-JTQLQIEISA-N -1 0 311.338 -0.857 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCOCCO)cn1 ZINC000626405974 377281444 /nfs/dbraw/zinc/28/14/44/377281444.db2.gz PBTSNMOQYVGULU-UHFFFAOYSA-N -1 0 317.367 -0.418 20 0 DBADRM NC(=O)C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C1CCCCC1 ZINC000263350882 377283131 /nfs/dbraw/zinc/28/31/31/377283131.db2.gz POVKPPMIVRRECL-SNVBAGLBSA-N -1 0 323.353 -0.083 20 0 DBADRM CO[C@H](CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000263165735 377283269 /nfs/dbraw/zinc/28/32/69/377283269.db2.gz ZPNVUWBGDJKRJL-SNVBAGLBSA-N -1 0 306.274 -0.258 20 0 DBADRM CN(C)C(=O)CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000263394116 377284261 /nfs/dbraw/zinc/28/42/61/377284261.db2.gz FCPHTFBUIAYHEQ-LBPRGKRZSA-N -1 0 318.333 -0.090 20 0 DBADRM COC[C@H](O)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000268638305 377367841 /nfs/dbraw/zinc/36/78/41/377367841.db2.gz MZNKFLPKDJHHNY-SECBINFHSA-N -1 0 323.374 -0.041 20 0 DBADRM CC(C)C[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000268957331 377378952 /nfs/dbraw/zinc/37/89/52/377378952.db2.gz VTOMEXWCQWZCIJ-QRGHLMKCSA-N -1 0 323.349 -0.287 20 0 DBADRM COc1ccsc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000268379333 377352817 /nfs/dbraw/zinc/35/28/17/377352817.db2.gz YFBQCHZWHUQDGM-UHFFFAOYSA-N -1 0 308.337 -0.764 20 0 DBADRM C[C@H](CO)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269745818 377419793 /nfs/dbraw/zinc/41/97/93/377419793.db2.gz WQJUTXWSURKXEI-RXMQYKEDSA-N -1 0 300.296 -0.905 20 0 DBADRM Cc1cc(C(=O)NC[C@]2(O)CCOC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000270138531 377437277 /nfs/dbraw/zinc/43/72/77/377437277.db2.gz URXIASMYEASELA-CQSZACIVSA-N -1 0 320.305 -0.374 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000271954490 377512807 /nfs/dbraw/zinc/51/28/07/377512807.db2.gz KLCUPSSZBOQYRD-GMSGAONNSA-N -1 0 309.322 -0.080 20 0 DBADRM COC[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H](C)O1 ZINC000276080310 377546147 /nfs/dbraw/zinc/54/61/47/377546147.db2.gz UUZUTWYLKLRQTG-YUMQZZPRSA-N -1 0 302.356 -0.548 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccco2)C1 ZINC000277331672 377592872 /nfs/dbraw/zinc/59/28/72/377592872.db2.gz VNUCTSQLUWEMGJ-QMMMGPOBSA-N -1 0 302.308 -0.509 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)COc1ccccc1O ZINC000277662303 377604002 /nfs/dbraw/zinc/60/40/02/377604002.db2.gz PCFRQGWZVSOXFJ-UHFFFAOYSA-N -1 0 316.335 -0.647 20 0 DBADRM CCCn1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC000277638489 377604371 /nfs/dbraw/zinc/60/43/71/377604371.db2.gz NKQYUQJMYAWVSO-UHFFFAOYSA-N -1 0 302.356 -0.511 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)N3CCNC(=O)C3)cc2[n-]c1=S ZINC000277760467 377606393 /nfs/dbraw/zinc/60/63/93/377606393.db2.gz KDKOEPKPHFQYQB-UHFFFAOYSA-N -1 0 318.358 -0.206 20 0 DBADRM C[C@@H](Oc1cccnc1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000277743954 377606466 /nfs/dbraw/zinc/60/64/66/377606466.db2.gz UMTMOPBBKVWQOS-SECBINFHSA-N -1 0 315.351 -0.569 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cccc(F)c1F ZINC000278312670 377618086 /nfs/dbraw/zinc/61/80/86/377618086.db2.gz SNMIDNKPLFFANE-UHFFFAOYSA-N -1 0 322.289 -0.166 20 0 DBADRM COC[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)[C@H]1CCCO1 ZINC000279534076 377658040 /nfs/dbraw/zinc/65/80/40/377658040.db2.gz RQKBMSDRIPKVTL-JGVFFNPUSA-N -1 0 302.356 -0.500 20 0 DBADRM CCCC1N=NC(=S)N1CC(=O)NCCc1nc(=O)o[n-]1 ZINC000280096785 377676718 /nfs/dbraw/zinc/67/67/18/377676718.db2.gz MCEVSYDCCJDXHQ-UHFFFAOYSA-N -1 0 312.355 -0.446 20 0 DBADRM COC[C@H](CO)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000280270008 377683670 /nfs/dbraw/zinc/68/36/70/377683670.db2.gz PGLWAUJOBSKZRT-VIFPVBQESA-N -1 0 323.374 -0.041 20 0 DBADRM COc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccc1O ZINC000281937245 377756581 /nfs/dbraw/zinc/75/65/81/377756581.db2.gz BUOHCUHKOBPLHJ-UHFFFAOYSA-N -1 0 316.335 -0.404 20 0 DBADRM COc1cncc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000281957630 377758810 /nfs/dbraw/zinc/75/88/10/377758810.db2.gz SQWWOVLNXCXQQU-JTQLQIEISA-N -1 0 302.308 -0.436 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cn1cnc2ccccc21 ZINC000282068000 377762483 /nfs/dbraw/zinc/76/24/83/377762483.db2.gz MVMBUKFYODESLP-UHFFFAOYSA-N -1 0 324.362 -0.382 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(C2CC2)no1 ZINC000282308325 377773268 /nfs/dbraw/zinc/77/32/68/377773268.db2.gz TUQBUNOWCIYEJZ-UHFFFAOYSA-N -1 0 301.324 -0.252 20 0 DBADRM C[C@@H]1C(=O)N(C)S(=O)(=O)N1Cc1nnnn1-c1ccccc1 ZINC000283133656 377810285 /nfs/dbraw/zinc/81/02/85/377810285.db2.gz UCVRSGYELYRQMR-SECBINFHSA-N -1 0 322.350 -0.430 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)S(=O)(=O)c1ncc[n-]1 ZINC000283232119 377817641 /nfs/dbraw/zinc/81/76/41/377817641.db2.gz CGLMRQBWABIZML-RKDXNWHRSA-N -1 0 314.367 -0.704 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1nnnn1C ZINC000283464651 377834524 /nfs/dbraw/zinc/83/45/24/377834524.db2.gz ATWHBSHSHJCEIQ-ZETCQYMHSA-N -1 0 308.264 -0.471 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC1 ZINC000282890035 377796841 /nfs/dbraw/zinc/79/68/41/377796841.db2.gz QNEWGZWJCUFSIW-QMMMGPOBSA-N -1 0 301.324 -0.260 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC1 ZINC000282890033 377796847 /nfs/dbraw/zinc/79/68/47/377796847.db2.gz QNEWGZWJCUFSIW-MRVPVSSYSA-N -1 0 301.324 -0.260 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC000618882375 377862334 /nfs/dbraw/zinc/86/23/34/377862334.db2.gz QNJBJFWREMOAKO-JGVFFNPUSA-N -1 0 312.326 -0.390 20 0 DBADRM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1cnc([O-])n(C)c1=O ZINC000288176925 377875812 /nfs/dbraw/zinc/87/58/12/377875812.db2.gz ATMPUZDLUHJBEM-ORZSEXNPSA-N -1 0 305.334 -0.019 20 0 DBADRM Cc1ccc(CS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1 ZINC000289922422 377891911 /nfs/dbraw/zinc/89/19/11/377891911.db2.gz YWYOLLPQVLLHRL-SNVBAGLBSA-N -1 0 300.336 -0.257 20 0 DBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ncn(C)n1 ZINC000291982406 377941602 /nfs/dbraw/zinc/94/16/02/377941602.db2.gz QZRZXWSBMMGOIU-UHFFFAOYSA-N -1 0 301.310 -0.302 20 0 DBADRM CC[C@@H](C)CO[N-]C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000292185716 377945399 /nfs/dbraw/zinc/94/53/99/377945399.db2.gz MSAOLACRUMBRDB-SECBINFHSA-N -1 0 323.353 -0.472 20 0 DBADRM CC[C@@H](C)[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000340517672 378015313 /nfs/dbraw/zinc/01/53/13/378015313.db2.gz FIIOSBTYQPIVMP-RKDXNWHRSA-N -1 0 315.413 -0.160 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCCC(=O)[O-])cn1C ZINC000340426742 377971875 /nfs/dbraw/zinc/97/18/75/377971875.db2.gz ILTZXQNRUUNNDA-UHFFFAOYSA-N -1 0 304.324 -0.045 20 0 DBADRM CCC[C@H](C)C(=O)NCCNC(=O)c1cnc([O-])n(C)c1=O ZINC000293758379 377977467 /nfs/dbraw/zinc/97/74/67/377977467.db2.gz UQXFMZVJLQLCLB-VIFPVBQESA-N -1 0 310.354 -0.232 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000340450012 377983004 /nfs/dbraw/zinc/98/30/04/377983004.db2.gz DSZGFNIELNDFDC-ZETCQYMHSA-N -1 0 307.349 -0.159 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C)CC(=O)[O-])cn1C ZINC000340451391 377984269 /nfs/dbraw/zinc/98/42/69/377984269.db2.gz MEWUERNSOTTXIB-SSDOTTSWSA-N -1 0 304.324 -0.047 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)CCOCc1ccccc1)C(=O)[O-] ZINC000296888669 378032550 /nfs/dbraw/zinc/03/25/50/378032550.db2.gz ILGBRTOPKLQYPH-PWSUYJOCSA-N -1 0 317.363 -0.043 20 0 DBADRM C[C@H](O)[C@@H](NS(=O)(=O)CCOCc1ccccc1)C(=O)[O-] ZINC000296888662 378032605 /nfs/dbraw/zinc/03/26/05/378032605.db2.gz ILGBRTOPKLQYPH-CMPLNLGQSA-N -1 0 317.363 -0.043 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)CCOCc1ccccc1 ZINC000296916270 378034368 /nfs/dbraw/zinc/03/43/68/378034368.db2.gz KMYVDVLFHGFAIR-LLVKDONJSA-N -1 0 303.336 -0.432 20 0 DBADRM CCNS(=O)(=O)c1ccc(C(=O)NCc2nnn[n-]2)cc1 ZINC000044927872 378042079 /nfs/dbraw/zinc/04/20/79/378042079.db2.gz HGTDLQWACDKINI-UHFFFAOYSA-N -1 0 310.339 -0.572 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CC[S@@](=O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000531887161 378056160 /nfs/dbraw/zinc/05/61/60/378056160.db2.gz CIRRVWIJNRUFIK-LWHSBAFCSA-N -1 0 322.346 -0.005 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCn2ccnn2)cn1 ZINC000626417145 378060603 /nfs/dbraw/zinc/06/06/03/378060603.db2.gz DCXPTLVIDXYDCW-UHFFFAOYSA-N -1 0 310.339 -0.525 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CCC[C@@H]1C(=O)[O-])c2=O ZINC000342556443 378102790 /nfs/dbraw/zinc/10/27/90/378102790.db2.gz DCSQSYXQSWWGRV-SECBINFHSA-N -1 0 305.294 -0.794 20 0 DBADRM O=c1[n-]c([C@H]2CCCN(S(=O)(=O)[C@H]3CCOC3)C2)n[nH]1 ZINC000328868533 378192704 /nfs/dbraw/zinc/19/27/04/378192704.db2.gz XKQHJOHDTCGROD-IUCAKERBSA-N -1 0 302.356 -0.192 20 0 DBADRM CC(C)(O)[C@@H]1CCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000123613593 378170595 /nfs/dbraw/zinc/17/05/95/378170595.db2.gz XJWSOFDMMAIKEY-JTQLQIEISA-N -1 0 318.333 -0.013 20 0 DBADRM COCCO[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000330445383 378221836 /nfs/dbraw/zinc/22/18/36/378221836.db2.gz VIRGOTGFTHJHJX-JTQLQIEISA-N -1 0 311.338 -0.247 20 0 DBADRM COc1ncc([N-]S(=O)(=O)c2ccn(C)n2)cc1C(N)=O ZINC000353821744 378352699 /nfs/dbraw/zinc/35/26/99/378352699.db2.gz CISXOHPRVMMYKK-UHFFFAOYSA-N -1 0 311.323 -0.277 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000348272340 378395134 /nfs/dbraw/zinc/39/51/34/378395134.db2.gz BYUGHUIBIQDWME-RITPCOANSA-N -1 0 318.259 -0.238 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC000348947397 378404081 /nfs/dbraw/zinc/40/40/81/378404081.db2.gz BQUTVGUADUCVFH-SECBINFHSA-N -1 0 315.413 -0.064 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000530141479 378443255 /nfs/dbraw/zinc/44/32/55/378443255.db2.gz XTGDTOPEJVJSNN-UHFFFAOYSA-N -1 0 317.367 -0.015 20 0 DBADRM C[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@@H](C)S1=O ZINC000329522044 378488345 /nfs/dbraw/zinc/48/83/45/378488345.db2.gz QYZDSCDPBWRHRR-RNFRBKRXSA-N -1 0 304.397 -0.030 20 0 DBADRM C[C@@H]1CN(CCNC(=O)c2c[n-]n3c2nccc3=O)[C@@H](C)CO1 ZINC000617722996 378562523 /nfs/dbraw/zinc/56/25/23/378562523.db2.gz HTUDIOYDEZVCTR-WDEREUQCSA-N -1 0 319.365 -0.138 20 0 DBADRM C[C@@H]1CN(CCNC(=O)CSc2n[nH]c(=O)[n-]2)[C@@H](C)CO1 ZINC000617726226 378562954 /nfs/dbraw/zinc/56/29/54/378562954.db2.gz UMQCECADWCPGOF-DTWKUNHWSA-N -1 0 315.399 -0.172 20 0 DBADRM C[C@H]1CCCN(C(=O)CN2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])C1 ZINC000333628981 378563023 /nfs/dbraw/zinc/56/30/23/378563023.db2.gz VLYVFCFNDCNJGI-VHSXEESVSA-N -1 0 323.353 -0.489 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H]3CCC[C@H]32)C[C@H]1C(=O)[O-] ZINC000331530287 378533436 /nfs/dbraw/zinc/53/34/36/378533436.db2.gz LLZIFMZPJLCFSX-KKOKHZNYSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000043702920 378587144 /nfs/dbraw/zinc/58/71/44/378587144.db2.gz PAZQIEJVHWYOGH-AEJSXWLSSA-N -1 0 308.356 -0.874 20 0 DBADRM NS(=O)(=O)c1cnc(NCCCc2nc(=O)[n-][nH]2)s1 ZINC000301511574 378599489 /nfs/dbraw/zinc/59/94/89/378599489.db2.gz BNQUUJZMSYQKTM-UHFFFAOYSA-N -1 0 304.357 -0.753 20 0 DBADRM COCc1n[n-]c(S(=O)(=O)[C@@H](C)C(=O)NCC(C)C)n1 ZINC000353888427 378690835 /nfs/dbraw/zinc/69/08/35/378690835.db2.gz KVQJZYBUJTYOPC-QMMMGPOBSA-N -1 0 304.372 -0.115 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)N(C)C[C@@H](O)CO)cc2=O)cc1 ZINC000353962447 378694730 /nfs/dbraw/zinc/69/47/30/378694730.db2.gz LXJVPSQKOYRAKV-GFCCVEGCSA-N -1 0 305.334 -0.101 20 0 DBADRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c1C(N)=O ZINC000354231764 378718072 /nfs/dbraw/zinc/71/80/72/378718072.db2.gz AAXHXCBCWDSDMC-UHFFFAOYSA-N -1 0 323.334 -0.283 20 0 DBADRM CC(C)(NC(=O)c1cccc(CS(N)(=O)=O)c1)c1nnn[n-]1 ZINC000354787751 378766093 /nfs/dbraw/zinc/76/60/93/378766093.db2.gz LGKUJZGBHHKGDU-UHFFFAOYSA-N -1 0 324.366 -0.347 20 0 DBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2cncc(F)c2)cn1 ZINC000355049078 378776895 /nfs/dbraw/zinc/77/68/95/378776895.db2.gz GPZUWTPBCMJRRZ-UHFFFAOYSA-N -1 0 313.314 -0.036 20 0 DBADRM CO[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000355958953 378845161 /nfs/dbraw/zinc/84/51/61/378845161.db2.gz PSSMRGCKVSZVDQ-UWVGGRQHSA-N -1 0 316.383 -0.618 20 0 DBADRM COc1ccc(F)c(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000355985855 378847986 /nfs/dbraw/zinc/84/79/86/378847986.db2.gz HHNQTSSYJXXUJM-UHFFFAOYSA-N -1 0 309.257 -0.087 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)[N-]c2ncn(C)c2C(N)=O)cn1 ZINC000357385116 378941739 /nfs/dbraw/zinc/94/17/39/378941739.db2.gz IOLSKNYXGVADIF-UHFFFAOYSA-N -1 0 324.366 -0.219 20 0 DBADRM COCC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000357378777 378940025 /nfs/dbraw/zinc/94/00/25/378940025.db2.gz AXGREGYGVNGPIX-NSHDSACASA-N -1 0 320.305 -0.603 20 0 DBADRM CCn1cnc(S(=O)(=O)[N-]c2ncn(CC(=O)OC)n2)c1 ZINC000356968378 378908958 /nfs/dbraw/zinc/90/89/58/378908958.db2.gz ATNYAQWVFJQTBY-UHFFFAOYSA-N -1 0 314.327 -0.532 20 0 DBADRM NC(=O)COc1cccc(C(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000357049203 378915017 /nfs/dbraw/zinc/91/50/17/378915017.db2.gz MZSGGIIFCRDKFC-UHFFFAOYSA-N -1 0 302.294 -0.517 20 0 DBADRM CN(C(=O)CSCC(=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000388631325 378918803 /nfs/dbraw/zinc/91/88/03/378918803.db2.gz HXMWOWDUDACOMH-QMMMGPOBSA-N -1 0 310.397 -0.704 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)COc1ccccc1 ZINC000643431035 378976622 /nfs/dbraw/zinc/97/66/22/378976622.db2.gz SXWHSNQOHIGCPC-LLVKDONJSA-N -1 0 313.331 -0.224 20 0 DBADRM CNC(=O)CCCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000357603343 378959355 /nfs/dbraw/zinc/95/93/55/378959355.db2.gz JHTPECPIJDQFAB-UHFFFAOYSA-N -1 0 321.384 -0.236 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)CCn2ccnn2)C1=O ZINC000358461989 379039389 /nfs/dbraw/zinc/03/93/89/379039389.db2.gz GZINXDCCYVRXAA-PWSUYJOCSA-N -1 0 323.353 -0.506 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000358584466 379063757 /nfs/dbraw/zinc/06/37/57/379063757.db2.gz RBIIHPAVSJLRCH-QMMMGPOBSA-N -1 0 307.310 -0.029 20 0 DBADRM Cc1occc1C(=O)NCC(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000358587929 379064785 /nfs/dbraw/zinc/06/47/85/379064785.db2.gz VVZMJPLKYHBFOE-UHFFFAOYSA-N -1 0 307.310 -0.109 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cnns2)C1=O ZINC000358723433 379081184 /nfs/dbraw/zinc/08/11/84/379081184.db2.gz ZRCXKFRJNDLOKZ-CBAPKCEASA-N -1 0 312.351 -0.022 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cnccn2)C1=O ZINC000358722701 379081545 /nfs/dbraw/zinc/08/15/45/379081545.db2.gz YFTMLMJZSPCILX-ONGXEEELSA-N -1 0 306.322 -0.084 20 0 DBADRM COCCOCC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000358715362 379082041 /nfs/dbraw/zinc/08/20/41/379082041.db2.gz RMSNIYATIFMZHY-CMPLNLGQSA-N -1 0 316.354 -0.524 20 0 DBADRM COCC1(CNC(=O)c2cnc([O-])n(C)c2=O)CCOCC1 ZINC000358881529 379098248 /nfs/dbraw/zinc/09/82/48/379098248.db2.gz YQWJFWDUYOYGBQ-UHFFFAOYSA-N -1 0 311.338 -0.341 20 0 DBADRM O=C(C[C@@H]1Oc2ccccc2NC1=O)NCc1n[nH]c(=O)[n-]1 ZINC000359264934 379142781 /nfs/dbraw/zinc/14/27/81/379142781.db2.gz CCAPVHIHDINYFD-VIFPVBQESA-N -1 0 303.278 -0.084 20 0 DBADRM COc1c(CNC(=O)c2cnc([O-])n(C)c2=O)c(C)nn1C ZINC000359347114 379151739 /nfs/dbraw/zinc/15/17/39/379151739.db2.gz XXCUYVMPYAVJNT-UHFFFAOYSA-N -1 0 307.310 -0.534 20 0 DBADRM O=C(NCCCc1ccccc1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000359836980 379203976 /nfs/dbraw/zinc/20/39/76/379203976.db2.gz YQOAWGJVJDEFBB-UHFFFAOYSA-N -1 0 303.322 -0.125 20 0 DBADRM CC(C)(NC(=O)Cn1c(=O)cnc2ccccc21)c1nnn[n-]1 ZINC000359787630 379197401 /nfs/dbraw/zinc/19/74/01/379197401.db2.gz LYVPRUHDKYWMCJ-UHFFFAOYSA-N -1 0 313.321 -0.039 20 0 DBADRM CC(C)(NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1nnn[n-]1 ZINC000359794035 379198929 /nfs/dbraw/zinc/19/89/29/379198929.db2.gz LEYBLOHWFLUWJY-IUCAKERBSA-N -1 0 320.353 -0.274 20 0 DBADRM CC(C)(NC(=O)Cn1ncc(=O)c2ccccc21)c1nnn[n-]1 ZINC000359790679 379199654 /nfs/dbraw/zinc/19/96/54/379199654.db2.gz IJHVGZRFTCMXMV-UHFFFAOYSA-N -1 0 313.321 -0.039 20 0 DBADRM CCOc1ccc(C(=O)NCC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000359863124 379206601 /nfs/dbraw/zinc/20/66/01/379206601.db2.gz XCMYAJSUFBNDCS-UHFFFAOYSA-N -1 0 319.321 -0.045 20 0 DBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1n[nH]c(=O)[n-]1 ZINC000359849564 379207260 /nfs/dbraw/zinc/20/72/60/379207260.db2.gz CWGCEFFWYVQSKS-UHFFFAOYSA-N -1 0 319.277 -0.715 20 0 DBADRM O=C([O-])C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000360414585 379264164 /nfs/dbraw/zinc/26/41/64/379264164.db2.gz PEUOBPNSPBXQIO-SECBINFHSA-N -1 0 308.290 -0.488 20 0 DBADRM C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC000360409564 379264506 /nfs/dbraw/zinc/26/45/06/379264506.db2.gz YCIUZYZIAUCBBS-VXGBXAGGSA-N -1 0 311.382 -0.090 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)[O-])cc1 ZINC000360409450 379264752 /nfs/dbraw/zinc/26/47/52/379264752.db2.gz WPLPYHGTISNAMM-UHFFFAOYSA-N -1 0 300.336 -0.184 20 0 DBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cn1 ZINC000360766369 379298547 /nfs/dbraw/zinc/29/85/47/379298547.db2.gz ROZACURBKWFHMN-UHFFFAOYSA-N -1 0 303.325 -0.596 20 0 DBADRM O=C(NCc1nc(C(F)(F)F)n[nH]1)NC[C@@]1(O)CCOC1 ZINC000361704762 379379177 /nfs/dbraw/zinc/37/91/77/379379177.db2.gz HASRNZFQJQRFCZ-VIFPVBQESA-N -1 0 309.248 -0.226 20 0 DBADRM O=C(NCc1nc(C(F)(F)F)n[nH]1)N[C@H]1CCCNC1=O ZINC000361413129 379350781 /nfs/dbraw/zinc/35/07/81/379350781.db2.gz PDKNOCQLGVWAOL-YFKPBYRVSA-N -1 0 306.248 -0.099 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2nccc(=O)n2C)o1 ZINC000361532474 379362450 /nfs/dbraw/zinc/36/24/50/379362450.db2.gz GFMXMVSFLIINTO-UHFFFAOYSA-N -1 0 313.291 -0.039 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000361903902 379395526 /nfs/dbraw/zinc/39/55/26/379395526.db2.gz BKXREHRNJGRYIP-SSDOTTSWSA-N -1 0 322.412 -0.116 20 0 DBADRM COC(=O)[C@](C)(O)CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000362403545 379433602 /nfs/dbraw/zinc/43/36/02/379433602.db2.gz PQCZFFMPTVCWLP-CQSZACIVSA-N -1 0 321.289 -0.316 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1=O ZINC000362418856 379435815 /nfs/dbraw/zinc/43/58/15/379435815.db2.gz BDVWNGPNAIGXQU-LLVKDONJSA-N -1 0 317.301 -0.088 20 0 DBADRM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cncnc2)c1 ZINC000362227381 379420050 /nfs/dbraw/zinc/42/00/50/379420050.db2.gz YGQFJDVULPSDEG-UHFFFAOYSA-N -1 0 314.348 -0.075 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000362602277 379452231 /nfs/dbraw/zinc/45/22/31/379452231.db2.gz KNSDXSBUJAHILL-MRVPVSSYSA-N -1 0 307.310 -0.691 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)NCCNS(=O)(=O)CC)C(=O)[O-] ZINC000390194921 379635196 /nfs/dbraw/zinc/63/51/96/379635196.db2.gz UHNUGBONLSDMJH-RKDXNWHRSA-N -1 0 309.388 -0.276 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)C[C@H]1C(=O)[O-] ZINC000582420712 379651381 /nfs/dbraw/zinc/65/13/81/379651381.db2.gz FYTHPFUHEZXTRA-FHUSYTEZSA-N -1 0 324.377 -0.215 20 0 DBADRM CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643452862 379639885 /nfs/dbraw/zinc/63/98/85/379639885.db2.gz LWJLATYIWSBGAH-GMTAPVOTSA-N -1 0 314.338 -0.676 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000377561581 379683372 /nfs/dbraw/zinc/68/33/72/379683372.db2.gz IGYKOAKYPSZWLR-MRVPVSSYSA-N -1 0 313.310 -0.981 20 0 DBADRM CN(C[C@@H]1CCCCO1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643457046 379686356 /nfs/dbraw/zinc/68/63/56/379686356.db2.gz HNLRUGRSZJWEKC-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM CN(CCNS(C)(=O)=O)Cc1nc(=O)c2sccc2[n-]1 ZINC000172080313 379695156 /nfs/dbraw/zinc/69/51/56/379695156.db2.gz RVDXHZQZSPJIFL-UHFFFAOYSA-N -1 0 316.408 -0.034 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCc3ccsc3C2)CCO1 ZINC000643459680 379698767 /nfs/dbraw/zinc/69/87/67/379698767.db2.gz OOGYBCXPVKTGEM-JTQLQIEISA-N -1 0 324.358 -0.055 20 0 DBADRM CCCN(CC(N)=O)C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000627507678 379669232 /nfs/dbraw/zinc/66/92/32/379669232.db2.gz CSZLAZRQTTWPQI-UHFFFAOYSA-N -1 0 314.367 -0.209 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2ccc(F)cn2)c(=O)n(C)c1=O ZINC000179645764 379742976 /nfs/dbraw/zinc/74/29/76/379742976.db2.gz KAOKZPKMOZUDPW-UHFFFAOYSA-N -1 0 314.298 -0.581 20 0 DBADRM CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC000643460515 379702959 /nfs/dbraw/zinc/70/29/59/379702959.db2.gz VCAXAOSWEOYKOY-QWRGUYRKSA-N -1 0 314.338 -0.818 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C3CC3)C2)C1 ZINC000643461171 379708784 /nfs/dbraw/zinc/70/87/84/379708784.db2.gz KLCWPWUAJRJDMP-VXGBXAGGSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@@H]2C2CC2)C[C@H]1C(=O)[O-] ZINC000643461125 379709582 /nfs/dbraw/zinc/70/95/82/379709582.db2.gz XCAMDKIXKLVEMW-YUSALJHKSA-N -1 0 310.350 -0.197 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C[C@H](C2CC2)O1 ZINC000643462504 379789792 /nfs/dbraw/zinc/78/97/92/379789792.db2.gz JFNPTKUYZSVJCH-YUSALJHKSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C[C@H](C2CC2)O1 ZINC000643462501 379790255 /nfs/dbraw/zinc/79/02/55/379790255.db2.gz JFNPTKUYZSVJCH-ADEWGFFLSA-N -1 0 310.350 -0.055 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])s1 ZINC000547886206 379791143 /nfs/dbraw/zinc/79/11/43/379791143.db2.gz RJQMVPSTZFQVJL-ZCFIWIBFSA-N -1 0 323.348 -0.087 20 0 DBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1ccccc1 ZINC000547930013 379796674 /nfs/dbraw/zinc/79/66/74/379796674.db2.gz DXWWGAKCFVSICT-XTZNXHDOSA-N -1 0 303.361 -0.107 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@H](C)[C@@H](C)O1 ZINC000643464336 379807070 /nfs/dbraw/zinc/80/70/70/379807070.db2.gz GRCWUZBPQQXAON-DBIOUOCHSA-N -1 0 314.338 -0.677 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)CCS(C)(=O)=O)C1 ZINC000063142767 379772753 /nfs/dbraw/zinc/77/27/53/379772753.db2.gz YBLMEYLIDICSHO-JTQLQIEISA-N -1 0 313.397 -0.453 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C(F)F)CC2)C1 ZINC000633069816 379786210 /nfs/dbraw/zinc/78/62/10/379786210.db2.gz AZXBNRNJYJVEOR-RKDXNWHRSA-N -1 0 320.292 -0.198 20 0 DBADRM CSC[C@@](C)(O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000230133847 379868219 /nfs/dbraw/zinc/86/82/19/379868219.db2.gz PJWRQMPPPXDRRR-JTQLQIEISA-N -1 0 323.396 -0.640 20 0 DBADRM COCCOCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000044721069 379868302 /nfs/dbraw/zinc/86/83/02/379868302.db2.gz VTKQMHYEFMBGBT-UHFFFAOYSA-N -1 0 310.372 -0.720 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])cc1 ZINC000230104583 379868422 /nfs/dbraw/zinc/86/84/22/379868422.db2.gz CEQCGQZJVPBHDQ-JTQLQIEISA-N -1 0 316.335 -0.576 20 0 DBADRM C[C@H]1C[C@H](C)CN(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])C1 ZINC000230094021 379868454 /nfs/dbraw/zinc/86/84/54/379868454.db2.gz NPEDXCBILXFEQV-XHNCKOQMSA-N -1 0 307.372 -0.873 20 0 DBADRM COCCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000584758246 379842066 /nfs/dbraw/zinc/84/20/66/379842066.db2.gz QNQRNAVHBJYEMN-ZYHUDNBSSA-N -1 0 307.368 -0.224 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000584817225 379847970 /nfs/dbraw/zinc/84/79/70/379847970.db2.gz CHZMAAMYNGORIC-OUAUKWLOSA-N -1 0 311.342 -0.154 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000044994184 379869713 /nfs/dbraw/zinc/86/97/13/379869713.db2.gz WIPCVERRRJCUTQ-UHFFFAOYSA-N -1 0 316.335 -0.192 20 0 DBADRM CCn1cc(S(=O)(=O)NCCC(=O)NC)cc1C(=O)[O-] ZINC000044993896 379869815 /nfs/dbraw/zinc/86/98/15/379869815.db2.gz MIVMTFGIKVEJDT-UHFFFAOYSA-N -1 0 303.340 -0.379 20 0 DBADRM CCC(=O)N[C@H](CCSC)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000610891860 379859521 /nfs/dbraw/zinc/85/95/21/379859521.db2.gz GVEQVBZURJMMPG-ZJUUUORDSA-N -1 0 318.395 -0.054 20 0 DBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)N1CCc2ccccc2C1 ZINC000040699564 379861237 /nfs/dbraw/zinc/86/12/37/379861237.db2.gz URLYQOZEBBNZFK-LBPRGKRZSA-N -1 0 314.363 -0.285 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000040578691 379861650 /nfs/dbraw/zinc/86/16/50/379861650.db2.gz DABDHORXKFNZDI-SNVBAGLBSA-N -1 0 315.351 -0.339 20 0 DBADRM Cc1c(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)cnn1C ZINC000226223264 379864905 /nfs/dbraw/zinc/86/49/05/379864905.db2.gz GJOXHMONRZVKJJ-UHFFFAOYSA-N -1 0 313.339 -0.512 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1c(Cl)cnn1C ZINC000227866858 379865406 /nfs/dbraw/zinc/86/54/06/379865406.db2.gz LSEFIHOAYVJUHY-UHFFFAOYSA-N -1 0 311.747 -0.205 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1c(Cl)cnn1C)CC(=O)[O-] ZINC000227867068 379866182 /nfs/dbraw/zinc/86/61/82/379866182.db2.gz IXHZVTLXGCWVKK-ZCFIWIBFSA-N -1 0 311.747 -0.159 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)[O-] ZINC000226804382 379866279 /nfs/dbraw/zinc/86/62/79/379866279.db2.gz MCGHZQMSUMHDGO-NXEZZACHSA-N -1 0 322.383 -0.041 20 0 DBADRM CSC[C@](C)(O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000230133851 379867136 /nfs/dbraw/zinc/86/71/36/379867136.db2.gz PJWRQMPPPXDRRR-SNVBAGLBSA-N -1 0 323.396 -0.640 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCO1 ZINC000643466680 379821430 /nfs/dbraw/zinc/82/14/30/379821430.db2.gz FMDWHYJZYKGDRL-TUAOUCFPSA-N -1 0 310.350 -0.053 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000228949677 379867737 /nfs/dbraw/zinc/86/77/37/379867737.db2.gz PHRXEFISDXELPW-IVZWLZJFSA-N -1 0 319.383 -0.570 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)NC)n(C)c1 ZINC000044617708 379867868 /nfs/dbraw/zinc/86/78/68/379867868.db2.gz APJZMPUZUVZUFZ-SECBINFHSA-N -1 0 317.367 -0.132 20 0 DBADRM C[C@H]1CCCN(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])C1 ZINC000230094815 379867927 /nfs/dbraw/zinc/86/79/27/379867927.db2.gz VHERRUBCQCWVNR-DTWKUNHWSA-N -1 0 307.372 -0.729 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000134278399 379916084 /nfs/dbraw/zinc/91/60/84/379916084.db2.gz MWUFVSOWJFMNKS-UHFFFAOYSA-N -1 0 316.364 -0.132 20 0 DBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@H](C)C(=O)[O-] ZINC000037434538 379885022 /nfs/dbraw/zinc/88/50/22/379885022.db2.gz XSOSPRWLJASNSI-SFYZADRCSA-N -1 0 312.413 -0.363 20 0 DBADRM CC(C)[C@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)[O-] ZINC000236706817 379930576 /nfs/dbraw/zinc/93/05/76/379930576.db2.gz ZJKXXHWNZUNLJE-LBPRGKRZSA-N -1 0 310.354 -0.003 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)CC2 ZINC000195211160 379931771 /nfs/dbraw/zinc/93/17/71/379931771.db2.gz HOLYPDJKUSWHFQ-ZETCQYMHSA-N -1 0 313.305 -0.112 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)NC2CC(CO)(CO)C2)s[n-]1 ZINC000626567314 379940804 /nfs/dbraw/zinc/94/08/04/379940804.db2.gz OUEDOPVNBGNKLA-ZETCQYMHSA-N -1 0 316.383 -0.078 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]CC(F)(F)CN)s1 ZINC000420412752 380058622 /nfs/dbraw/zinc/05/86/22/380058622.db2.gz CBVNOZOZHLNFKV-UHFFFAOYSA-N -1 0 314.339 -0.026 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)Cn1cccn1 ZINC000420530973 380064584 /nfs/dbraw/zinc/06/45/84/380064584.db2.gz FUBGIIAZEWUZAC-NHYWBVRUSA-N -1 0 322.365 -0.041 20 0 DBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCn1ccnc1)C2 ZINC000420540515 380064940 /nfs/dbraw/zinc/06/49/40/380064940.db2.gz WOFWGDSWDGJHOU-XHDPSFHLSA-N -1 0 320.349 -0.287 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])[C@H]1OC ZINC000420569975 380065034 /nfs/dbraw/zinc/06/50/34/380065034.db2.gz YMFBYZDXEUSGSL-FXPVBKGRSA-N -1 0 302.327 -0.724 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCOC(F)(F)F)C[C@H]1C(=O)[O-] ZINC000420569282 380065053 /nfs/dbraw/zinc/06/50/53/380065053.db2.gz VJBHXGLJCIGOSS-RNFRBKRXSA-N -1 0 312.244 -0.182 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)Cn1cccn1 ZINC000420540157 380065073 /nfs/dbraw/zinc/06/50/73/380065073.db2.gz VEVMRJUAYCKSGW-IJLUTSLNSA-N -1 0 322.365 -0.186 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)C(C)C ZINC000420562270 380065121 /nfs/dbraw/zinc/06/51/21/380065121.db2.gz NWGNWESNXJLYFC-GMTAPVOTSA-N -1 0 300.355 -0.047 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000420536245 380065133 /nfs/dbraw/zinc/06/51/33/380065133.db2.gz MGNWNFPRHGOHBA-MNOVXSKESA-N -1 0 308.338 -0.289 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000420537511 380065514 /nfs/dbraw/zinc/06/55/14/380065514.db2.gz PECOHCZKDCIIKC-JTQLQIEISA-N -1 0 322.317 -0.076 20 0 DBADRM COc1ccc(OCCNC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000420525009 380065523 /nfs/dbraw/zinc/06/55/23/380065523.db2.gz AVEUNHFWSPFNGU-UHFFFAOYSA-N -1 0 310.306 -0.219 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCC(=O)[O-])[C@@H]1OC ZINC000420568171 380065590 /nfs/dbraw/zinc/06/55/90/380065590.db2.gz WJJHXNMAWPGCMM-FOGDFJRCSA-N -1 0 316.354 -0.382 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C1 ZINC000420545570 380066632 /nfs/dbraw/zinc/06/66/32/380066632.db2.gz AAKPKBWXBZMKTB-HBNTYKKESA-N -1 0 323.349 -0.811 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000420599649 380069324 /nfs/dbraw/zinc/06/93/24/380069324.db2.gz MRDDYVGQBRKFSI-UHFFFAOYSA-N -1 0 324.312 -0.540 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000420599753 380069474 /nfs/dbraw/zinc/06/94/74/380069474.db2.gz NBAGTBIJGNINOO-UHFFFAOYSA-N -1 0 324.312 -0.540 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCOC(F)(F)F)C1 ZINC000420573560 380070314 /nfs/dbraw/zinc/07/03/14/380070314.db2.gz ZIDLBHRLNRPNST-JTQLQIEISA-N -1 0 312.244 -0.038 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000420572936 380070492 /nfs/dbraw/zinc/07/04/92/380070492.db2.gz YVNPEXYZHRZOEK-UWVGGRQHSA-N -1 0 311.338 -0.811 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000420572940 380071166 /nfs/dbraw/zinc/07/11/66/380071166.db2.gz YVNPEXYZHRZOEK-VHSXEESVSA-N -1 0 311.338 -0.811 20 0 DBADRM CC[C@@H](CS(=O)(=O)[N-][C@@H](CC(=O)OC)C(=O)OC)OC ZINC000420652363 380072489 /nfs/dbraw/zinc/07/24/89/380072489.db2.gz UXTVNZZNVTZJHP-IUCAKERBSA-N -1 0 311.356 -0.565 20 0 DBADRM CO[C@@H](CC(C)C)CS(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000420719751 380073192 /nfs/dbraw/zinc/07/31/92/380073192.db2.gz HGDHVXCBUKAOQX-VIFPVBQESA-N -1 0 307.372 -0.114 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@@]1(C)C(=O)[O-] ZINC000572163150 380136768 /nfs/dbraw/zinc/13/67/68/380136768.db2.gz VLBCXSHRLBCITK-BXKDBHETSA-N -1 0 304.368 -0.409 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccccc1 ZINC000611219520 380097590 /nfs/dbraw/zinc/09/75/90/380097590.db2.gz UQSPARPVVWKEPO-QMMMGPOBSA-N -1 0 304.262 -0.073 20 0 DBADRM CCOC(=O)C[C@@H](O)CSc1n[n-]c2nc(=O)c(C)nn21 ZINC000611232916 380099166 /nfs/dbraw/zinc/09/91/66/380099166.db2.gz SUGUQPXFHOCBRN-SSDOTTSWSA-N -1 0 313.339 -0.473 20 0 DBADRM CCOC(=O)c1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC000611239111 380105799 /nfs/dbraw/zinc/10/57/99/380105799.db2.gz SUXWKUKNOYSZJT-UHFFFAOYSA-N -1 0 308.250 -0.018 20 0 DBADRM CCC[C@](C)(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000571996875 380126614 /nfs/dbraw/zinc/12/66/14/380126614.db2.gz JAZGLPYUHOEAHG-JTQLQIEISA-N -1 0 315.413 -0.016 20 0 DBADRM CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C12CCC2 ZINC000572352512 380167523 /nfs/dbraw/zinc/16/75/23/380167523.db2.gz OWKLGPVAWCAEAF-GMTAPVOTSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000262051858 380167668 /nfs/dbraw/zinc/16/76/68/380167668.db2.gz BWXCAMRIQLUJJX-MNOVXSKESA-N -1 0 316.379 -0.220 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC(F)(F)CN ZINC000262135940 380171911 /nfs/dbraw/zinc/17/19/11/380171911.db2.gz XGVUBTHLIODIRU-UHFFFAOYSA-N -1 0 315.323 -0.198 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000262238209 380177810 /nfs/dbraw/zinc/17/78/10/380177810.db2.gz OJAXGNFCHDEEKU-GFCCVEGCSA-N -1 0 305.334 -0.076 20 0 DBADRM COCC[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC000262327930 380182891 /nfs/dbraw/zinc/18/28/91/380182891.db2.gz ULSWLEYDZZKTNH-BDAKNGLRSA-N -1 0 324.399 -0.444 20 0 DBADRM C[C@]1(C2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)NC(=O)NC1=O ZINC000262347739 380185827 /nfs/dbraw/zinc/18/58/27/380185827.db2.gz ATMWGUSRQYHHLQ-RFXMVYNHSA-N -1 0 309.322 -0.456 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000262370633 380187503 /nfs/dbraw/zinc/18/75/03/380187503.db2.gz FIAZEJMJMUFYGG-GFCCVEGCSA-N -1 0 324.399 -0.377 20 0 DBADRM CC[C@H](C(=O)[O-])N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000262408402 380187795 /nfs/dbraw/zinc/18/77/95/380187795.db2.gz PAEBBMUOBXXPCT-LLVKDONJSA-N -1 0 317.367 -0.015 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC000548200984 380188699 /nfs/dbraw/zinc/18/86/99/380188699.db2.gz AVMAZFZJBVNFGT-SSDOTTSWSA-N -1 0 321.307 -0.166 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)C[C@H]1CCOC1 ZINC000262455989 380188910 /nfs/dbraw/zinc/18/89/10/380188910.db2.gz ROZUCKFWUROHJH-KOLCDFICSA-N -1 0 322.383 -0.736 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N1CCC[C@H]1C ZINC000262463620 380191269 /nfs/dbraw/zinc/19/12/69/380191269.db2.gz SQKRMHCBPICFSP-ZJUUUORDSA-N -1 0 321.399 -0.373 20 0 DBADRM CCC[C@@H](NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-] ZINC000262607113 380195845 /nfs/dbraw/zinc/19/58/45/380195845.db2.gz ACKAJKYMICLVMQ-SNVBAGLBSA-N -1 0 312.388 -0.331 20 0 DBADRM C[C@H](CNC(=O)CN(C)S(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000262610741 380196642 /nfs/dbraw/zinc/19/66/42/380196642.db2.gz BFCTUOMRKDFDBE-SECBINFHSA-N -1 0 315.351 -0.461 20 0 DBADRM O=C(CN1CSCC1=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000262725059 380200343 /nfs/dbraw/zinc/20/03/43/380200343.db2.gz GHPUKBPNDIGAAQ-KCJUWKMLSA-N -1 0 302.352 -0.485 20 0 DBADRM O=C([O-])CC1(NC(=O)CN2CCCS2(=O)=O)CCCC1 ZINC000262837260 380202318 /nfs/dbraw/zinc/20/23/18/380202318.db2.gz GLONNJYQZJRJNL-UHFFFAOYSA-N -1 0 304.368 -0.074 20 0 DBADRM CC(=O)N[C@H](C(=O)NCc1cn(CC(=O)[O-])nn1)C1CCCC1 ZINC000262764145 380203051 /nfs/dbraw/zinc/20/30/51/380203051.db2.gz GEMFXSSJSPNUBS-ZDUSSCGKSA-N -1 0 323.353 -0.326 20 0 DBADRM O=C([O-])CCCNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000261818034 380157438 /nfs/dbraw/zinc/15/74/38/380157438.db2.gz HTCQEIDVGMRHTG-SECBINFHSA-N -1 0 303.340 -0.012 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC[C@@H]3C(=O)[O-])cnc21 ZINC000261827866 380158034 /nfs/dbraw/zinc/15/80/34/380158034.db2.gz ACQWBKQVKAADMG-SECBINFHSA-N -1 0 318.289 -0.277 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H](OC)C(=O)[O-])C1 ZINC000263100888 380209623 /nfs/dbraw/zinc/20/96/23/380209623.db2.gz OFXOADZYTIBRCX-VHSXEESVSA-N -1 0 322.383 -0.736 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000611839815 380214183 /nfs/dbraw/zinc/21/41/83/380214183.db2.gz HFPYFDIPWGPSPK-UHFFFAOYSA-N -1 0 309.322 -0.043 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000611860855 380215210 /nfs/dbraw/zinc/21/52/10/380215210.db2.gz HQCFMENTEZHJQA-CQSZACIVSA-N -1 0 301.306 -0.416 20 0 DBADRM COC[C@H](NC(=O)CN1C(=O)COc2ccccc21)C(=O)[O-] ZINC000263457859 380217452 /nfs/dbraw/zinc/21/74/52/380217452.db2.gz PKPHRQHDAMQGNL-VIFPVBQESA-N -1 0 308.290 -0.372 20 0 DBADRM COC[C@@H](NC(=O)CN1C(=O)COc2ccccc21)C(=O)[O-] ZINC000263457858 380217677 /nfs/dbraw/zinc/21/76/77/380217677.db2.gz PKPHRQHDAMQGNL-SECBINFHSA-N -1 0 308.290 -0.372 20 0 DBADRM COc1ccc(COCC(=O)NCCc2nc(=O)o[n-]2)cn1 ZINC000626704683 380237850 /nfs/dbraw/zinc/23/78/50/380237850.db2.gz JJXYQQHTAUNFGY-UHFFFAOYSA-N -1 0 308.294 -0.358 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCCC[C@@H]1CCO)C(=O)[O-] ZINC000422718299 380295671 /nfs/dbraw/zinc/29/56/71/380295671.db2.gz WWMLXRRYOKGRSX-WDEREUQCSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CCO)C[C@H]1C(=O)[O-] ZINC000422718848 380296424 /nfs/dbraw/zinc/29/64/24/380296424.db2.gz XQBZXJLGOIGERE-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CCn2cccn2)C1 ZINC000422816730 380298855 /nfs/dbraw/zinc/29/88/55/380298855.db2.gz BCQFLYMLUOFABL-VXGBXAGGSA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CC2(O)CCCC2)C[C@H]1C(=O)[O-] ZINC000422840176 380299604 /nfs/dbraw/zinc/29/96/04/380299604.db2.gz SELHXJIMVFECIW-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM CCN1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])[C@H](C)C1=O ZINC000422844190 380299696 /nfs/dbraw/zinc/29/96/96/380299696.db2.gz LCRNHHGHEGOEMW-NXEZZACHSA-N -1 0 313.354 -0.755 20 0 DBADRM CC[C@]1(CO)CCCN1C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000422853223 380299860 /nfs/dbraw/zinc/29/98/60/380299860.db2.gz YRBIGQPJQCBSRO-UEKVPHQBSA-N -1 0 312.366 -0.071 20 0 DBADRM CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000422848406 380299881 /nfs/dbraw/zinc/29/98/81/380299881.db2.gz SXINYEDIWRIFAN-NXEZZACHSA-N -1 0 314.338 -0.280 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000422851378 380299997 /nfs/dbraw/zinc/29/99/97/380299997.db2.gz OTMLQVOVLVEHCA-ZJUUUORDSA-N -1 0 312.322 -0.526 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1=O ZINC000422843820 380300833 /nfs/dbraw/zinc/30/08/33/380300833.db2.gz JSDZQIUXOQUSJJ-CQSZACIVSA-N -1 0 311.338 -1.000 20 0 DBADRM COCCOC1CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000422858157 380301421 /nfs/dbraw/zinc/30/14/21/380301421.db2.gz IPQJWKMJGVTVKU-CQSZACIVSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C[C@@H]1O ZINC000422863404 380302119 /nfs/dbraw/zinc/30/21/19/380302119.db2.gz OYPWOLALHWRDMT-CENBSLRLSA-N -1 0 324.377 -0.071 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000422864457 380302368 /nfs/dbraw/zinc/30/23/68/380302368.db2.gz NCMOGMJRYXQVTI-QWRGUYRKSA-N -1 0 300.355 -0.214 20 0 DBADRM CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000422877443 380302428 /nfs/dbraw/zinc/30/24/28/380302428.db2.gz RKDCMQBLXSNCIU-JTQLQIEISA-N -1 0 313.354 -0.611 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCSC[C@H]1CCO)C(=O)[O-] ZINC000422904183 380303392 /nfs/dbraw/zinc/30/33/92/380303392.db2.gz PTYXWSOFAQWXRI-VHSXEESVSA-N -1 0 318.395 -0.508 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC000422886775 380303619 /nfs/dbraw/zinc/30/36/19/380303619.db2.gz XPJUVKUAIUDHNV-XPTSAGLGSA-N -1 0 314.338 -0.423 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C1 ZINC000422931257 380303791 /nfs/dbraw/zinc/30/37/91/380303791.db2.gz XARDQTVWFYDUSZ-WYUUTHIRSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@H]2CCO)C1 ZINC000422929696 380303853 /nfs/dbraw/zinc/30/38/53/380303853.db2.gz RDAWCZUZOJOXHS-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM CCN1CCCN(C(=O)C(=O)N(C)CCCC(=O)[O-])CC1=O ZINC000422904425 380303993 /nfs/dbraw/zinc/30/39/93/380303993.db2.gz XNUBGNDSTKMWJI-UHFFFAOYSA-N -1 0 313.354 -0.610 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])[C@@H]1C ZINC000422918801 380304035 /nfs/dbraw/zinc/30/40/35/380304035.db2.gz IWDREOBMUJIWFW-OPRDCNLKSA-N -1 0 314.338 -0.425 20 0 DBADRM CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000422896065 380304140 /nfs/dbraw/zinc/30/41/40/380304140.db2.gz HFFYCGCUYWVUCT-QJPTWQEYSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCO[C@@H](CF)C2)C1 ZINC000422932540 380305799 /nfs/dbraw/zinc/30/57/99/380305799.db2.gz ZLYRNJSXRKARTF-MXWKQRLJSA-N -1 0 316.329 -0.248 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC[C@@H]1O ZINC000422941067 380305805 /nfs/dbraw/zinc/30/58/05/380305805.db2.gz UQFBWHAAZGZMQP-KZTGVZKYSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)CO)C[C@H]1C(=O)[O-] ZINC000422937627 380306062 /nfs/dbraw/zinc/30/60/62/380306062.db2.gz OMAIPGRRIDRUML-NXEZZACHSA-N -1 0 300.355 -0.358 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000424513416 380395716 /nfs/dbraw/zinc/39/57/16/380395716.db2.gz XGLLAEMTLFKAEE-LLVKDONJSA-N -1 0 323.353 -0.235 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C)C1=O)C(=O)[O-] ZINC000424511911 380396157 /nfs/dbraw/zinc/39/61/57/380396157.db2.gz ZIVDLICVFPRTBJ-NXEZZACHSA-N -1 0 313.354 -0.804 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@H](n2ccnn2)C1)C(=O)[O-] ZINC000424503151 380393958 /nfs/dbraw/zinc/39/39/58/380393958.db2.gz HPBWKNKCFMSEJL-MNOVXSKESA-N -1 0 323.353 -0.379 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424498742 380394143 /nfs/dbraw/zinc/39/41/43/380394143.db2.gz JUTJVLYMYAGATB-UHFFFAOYSA-N -1 0 315.370 -0.412 20 0 DBADRM C[C@@H]1CN(C(=O)NCCN2C(=O)CNC2=O)CC[C@@H]1C(=O)[O-] ZINC000626753298 380342434 /nfs/dbraw/zinc/34/24/34/380342434.db2.gz JVHDLVBUZZVKMG-BDAKNGLRSA-N -1 0 312.326 -0.710 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC[C@H]1C(=O)[O-] ZINC000626757587 380349376 /nfs/dbraw/zinc/34/93/76/380349376.db2.gz XUHXEEZTRALPSS-YTWAJWBKSA-N -1 0 313.354 -0.229 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)NCCCCCC(=O)[O-])CCO1 ZINC000626766991 380350929 /nfs/dbraw/zinc/35/09/29/380350929.db2.gz VWBWRMXARUPIPR-JTQLQIEISA-N -1 0 301.343 -0.083 20 0 DBADRM CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)c1nnn[n-]1 ZINC000612062157 380356403 /nfs/dbraw/zinc/35/64/03/380356403.db2.gz TUUHAGUXBNGXAZ-HTQZYQBOSA-N -1 0 304.376 -0.515 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000626772961 380358083 /nfs/dbraw/zinc/35/80/83/380358083.db2.gz ZPRSCEJWZLOGSG-VHSXEESVSA-N -1 0 321.399 -0.322 20 0 DBADRM CCC[C@@H](NC(=O)[C@@H]1CCN=C2C1=NNN2C)c1nnn[n-]1 ZINC000612062313 380358320 /nfs/dbraw/zinc/35/83/20/380358320.db2.gz VFOMGYYRXMXLFG-HTQZYQBOSA-N -1 0 305.346 -0.619 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CCO1 ZINC000626774474 380360613 /nfs/dbraw/zinc/36/06/13/380360613.db2.gz YNVCFFVMQORJMM-MNOVXSKESA-N -1 0 313.354 -0.227 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CCO[C@@H](CC(N)=O)C1)C(=O)[O-] ZINC000626774652 380360740 /nfs/dbraw/zinc/36/07/40/380360740.db2.gz KWSSFUYCZINMGB-VHSXEESVSA-N -1 0 301.343 -0.371 20 0 DBADRM CC(=O)N(CCc1ccccc1)CC(=O)NCc1n[nH]c(=O)[n-]1 ZINC000089243864 380433201 /nfs/dbraw/zinc/43/32/01/380433201.db2.gz GWCMGWSFTMIWAF-UHFFFAOYSA-N -1 0 317.349 -0.195 20 0 DBADRM Cn1[n-]c(C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)cc1=O ZINC000612387879 380398460 /nfs/dbraw/zinc/39/84/60/380398460.db2.gz ATGQZFSRQGIYFO-GFCCVEGCSA-N -1 0 324.381 -0.311 20 0 DBADRM C[C@@H](CO)[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612500105 380412429 /nfs/dbraw/zinc/41/24/29/380412429.db2.gz GJLYOOOAAZRRRB-YUMQZZPRSA-N -1 0 302.352 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@H]1O ZINC000613188430 380507646 /nfs/dbraw/zinc/50/76/46/380507646.db2.gz UQGBNNMIOUJJDM-WRWORJQWSA-N -1 0 300.336 -0.508 20 0 DBADRM CN(C(=O)c1cccc(-c2nc(=O)o[n-]2)c1)[C@H]1CCNC1=O ZINC000613079139 380475207 /nfs/dbraw/zinc/47/52/07/380475207.db2.gz GTNDHZUJBGZDRE-JTQLQIEISA-N -1 0 302.290 -0.010 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=N[C@@H]2COCC[C@H]2O)cc1 ZINC000631529887 380546408 /nfs/dbraw/zinc/54/64/08/380546408.db2.gz PZWQZMPLFJTTOH-CHWSQXEVSA-N -1 0 305.338 -0.286 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)c2cc(F)cc3n[nH]nc32)C1 ZINC000628797690 380558691 /nfs/dbraw/zinc/55/86/91/380558691.db2.gz JDIAIRTTWUFEJW-UHFFFAOYSA-N -1 0 313.314 -0.529 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCN(c2nccnn2)CC1 ZINC000629333992 380631040 /nfs/dbraw/zinc/63/10/40/380631040.db2.gz GGHNQNOWIBHVJE-UHFFFAOYSA-N -1 0 315.355 -0.812 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000629338745 380631722 /nfs/dbraw/zinc/63/17/22/380631722.db2.gz QGGQFWKDEHMYMX-UWVGGRQHSA-N -1 0 317.367 -0.032 20 0 DBADRM COC[C@]1(C)CN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCO1 ZINC000629346159 380635022 /nfs/dbraw/zinc/63/50/22/380635022.db2.gz DGLCAFIKBWQNPJ-PWSUYJOCSA-N -1 0 322.383 -0.483 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCN(c2ncns2)CC1 ZINC000632543379 380594675 /nfs/dbraw/zinc/59/46/75/380594675.db2.gz ACOHGWBCZKLSOJ-UHFFFAOYSA-N -1 0 300.369 -0.228 20 0 DBADRM CCO[C@@H](CS(=O)(=O)[N-]c1ccn(CC(N)=O)n1)C1CC1 ZINC000629287603 380622799 /nfs/dbraw/zinc/62/27/99/380622799.db2.gz REVPSHPLRUKHAL-JTQLQIEISA-N -1 0 316.383 -0.075 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)n1C ZINC000629294466 380623900 /nfs/dbraw/zinc/62/39/00/380623900.db2.gz YJBYOCCTSMUUFP-PSASIEDQSA-N -1 0 303.340 -0.503 20 0 DBADRM CCO[C@H](CS(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])C1CC1 ZINC000629294669 380623952 /nfs/dbraw/zinc/62/39/52/380623952.db2.gz ZUUFGOAWNSTOMH-NXEZZACHSA-N -1 0 322.383 -0.560 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])n1C ZINC000629301622 380624120 /nfs/dbraw/zinc/62/41/20/380624120.db2.gz NWVYRPSOWDRFLJ-XCBNKYQSSA-N -1 0 303.340 -0.409 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000629314208 380625174 /nfs/dbraw/zinc/62/51/74/380625174.db2.gz RIIUTMGLSWHBMX-IONNQARKSA-N -1 0 301.324 -0.228 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC000629306570 380625259 /nfs/dbraw/zinc/62/52/59/380625259.db2.gz BHNDJSAYYKANBM-SSDOTTSWSA-N -1 0 302.299 -0.396 20 0 DBADRM CCn1nccc1S(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000629313680 380625364 /nfs/dbraw/zinc/62/53/64/380625364.db2.gz FSCYOIXCWGTEPV-UHFFFAOYSA-N -1 0 311.323 -0.130 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000629312932 380625398 /nfs/dbraw/zinc/62/53/98/380625398.db2.gz RDWCOFUYUNQBTL-PHIMTYICSA-N -1 0 324.399 -0.379 20 0 DBADRM CNC(=O)c1cccc(C(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000439715842 380625420 /nfs/dbraw/zinc/62/54/20/380625420.db2.gz QDULCROYSQLGNS-UHFFFAOYSA-N -1 0 317.305 -0.348 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2cn(C)nc2C)[C@](C)(C(=O)[O-])C1 ZINC000629308079 380625812 /nfs/dbraw/zinc/62/58/12/380625812.db2.gz ICIMDGYNOIDFQX-SKDRFNHKSA-N -1 0 317.367 -0.019 20 0 DBADRM CCO[C@H](CS(=O)(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-])C1CC1 ZINC000629332400 380628967 /nfs/dbraw/zinc/62/89/67/380628967.db2.gz FHAPVDRACQIBLL-MXWKQRLJSA-N -1 0 307.368 -0.037 20 0 DBADRM CCCc1nc(=NC(=O)NCCCS(N)(=O)=O)s[n-]1 ZINC000455375541 380716886 /nfs/dbraw/zinc/71/68/86/380716886.db2.gz JFMSOXXLBFQXIQ-UHFFFAOYSA-N -1 0 307.401 -0.287 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000629775018 380717012 /nfs/dbraw/zinc/71/70/12/380717012.db2.gz GOPTVHUFPMMQBE-DCAQKATOSA-N -1 0 300.355 -0.215 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000629778328 380718162 /nfs/dbraw/zinc/71/81/62/380718162.db2.gz ZZWPSYGTXSRTCK-QWRGUYRKSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCc3c[nH]nc3C2)CC[C@@H]1C(=O)[O-] ZINC000629775963 380718704 /nfs/dbraw/zinc/71/87/04/380718704.db2.gz KWTIFCOQSLWSDE-KOLCDFICSA-N -1 0 320.349 -0.136 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCn3cncc3C2)CC[C@H]1C(=O)[O-] ZINC000629780111 380718900 /nfs/dbraw/zinc/71/89/00/380718900.db2.gz DPIYFZGCBLTEGV-ZYHUDNBSSA-N -1 0 320.349 -0.206 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)[C@@H]1CO ZINC000629777533 380719249 /nfs/dbraw/zinc/71/92/49/380719249.db2.gz SJVDDDHFBGSVKJ-IRCOFANPSA-N -1 0 312.366 -0.215 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CCF)C2)C1 ZINC000629781391 380719759 /nfs/dbraw/zinc/71/97/59/380719759.db2.gz LYVDPHBTRMNFDN-GHMZBOCLSA-N -1 0 316.329 -0.103 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CCF)C2)C1 ZINC000629781392 380720435 /nfs/dbraw/zinc/72/04/35/380720435.db2.gz LYVDPHBTRMNFDN-MNOVXSKESA-N -1 0 316.329 -0.103 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)C1 ZINC000629784114 380720852 /nfs/dbraw/zinc/72/08/52/380720852.db2.gz QKDFLESGEGFGBF-NZEXEKPDSA-N -1 0 324.377 -0.073 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000629782366 380720904 /nfs/dbraw/zinc/72/09/04/380720904.db2.gz VGVNTFLEAMOYMX-WYUUTHIRSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000629782364 380720991 /nfs/dbraw/zinc/72/09/91/380720991.db2.gz VGVNTFLEAMOYMX-WISYIIOYSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)C1 ZINC000629784111 380721068 /nfs/dbraw/zinc/72/10/68/380721068.db2.gz QKDFLESGEGFGBF-KSSYENDESA-N -1 0 324.377 -0.073 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CC2(O)CCC2)CC[C@H]1C(=O)[O-] ZINC000629782178 380721108 /nfs/dbraw/zinc/72/11/08/380721108.db2.gz XANSHTWVKSAUKE-WDEREUQCSA-N -1 0 312.366 -0.071 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1COC[C@H]1O ZINC000456427131 380738279 /nfs/dbraw/zinc/73/82/79/380738279.db2.gz LCMYCDMZCIMKOV-VXGBXAGGSA-N -1 0 314.363 -0.062 20 0 DBADRM CC(C)NC(=O)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000623515998 381011526 /nfs/dbraw/zinc/01/15/26/381011526.db2.gz ZFLFUCBQYSYWNE-UHFFFAOYSA-N -1 0 314.367 -0.293 20 0 DBADRM CN(C(=O)[C@@H]1CC[C@@H]1C(=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000397442022 380994381 /nfs/dbraw/zinc/99/43/81/380994381.db2.gz WLWWHXLGQNUCBZ-BBBLOLIVSA-N -1 0 304.368 -0.411 20 0 DBADRM CN(CCCNC(=O)c1ccc(C(=O)[O-])nc1)S(C)(=O)=O ZINC000642276931 381073851 /nfs/dbraw/zinc/07/38/51/381073851.db2.gz OOVIXDBHVRURBA-UHFFFAOYSA-N -1 0 315.351 -0.209 20 0 DBADRM COC[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])OC ZINC000613373532 381064596 /nfs/dbraw/zinc/06/45/96/381064596.db2.gz DWUKZEUKMDUISI-QMMMGPOBSA-N -1 0 318.351 -0.569 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)CCN1S(C)(=O)=O ZINC000613283208 381038358 /nfs/dbraw/zinc/03/83/58/381038358.db2.gz UFPUVJMHBCUTEB-QMMMGPOBSA-N -1 0 302.356 -0.768 20 0 DBADRM CO[C@@H](CNC(=O)Cn1cnc2sccc2c1=O)C(=O)[O-] ZINC000227272311 381082864 /nfs/dbraw/zinc/08/28/64/381082864.db2.gz HDXNVYAGXHEXLO-QMMMGPOBSA-N -1 0 311.319 -0.326 20 0 DBADRM COC(=O)c1sccc1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC000230064338 381098707 /nfs/dbraw/zinc/09/87/07/381098707.db2.gz PRUMZQBLVBLIHR-LURJTMIESA-N -1 0 323.348 -0.351 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(N)=O ZINC000230952765 381104298 /nfs/dbraw/zinc/10/42/98/381104298.db2.gz JGPYCNHVGGEPBW-VIFPVBQESA-N -1 0 303.340 -0.489 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCOCC(N)=O ZINC000230956380 381104381 /nfs/dbraw/zinc/10/43/81/381104381.db2.gz XBEXXAHSWKORFB-UHFFFAOYSA-N -1 0 316.335 -0.527 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000233691353 381115672 /nfs/dbraw/zinc/11/56/72/381115672.db2.gz QOJXXKJCCZFSKD-QMMMGPOBSA-N -1 0 319.339 -0.505 20 0 DBADRM CNC(=O)C1CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000613571535 381151185 /nfs/dbraw/zinc/15/11/85/381151185.db2.gz VYQOSWHGRQLLHU-UHFFFAOYSA-N -1 0 302.290 -0.152 20 0 DBADRM Cn1cc(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)cn1 ZINC000054288030 381165893 /nfs/dbraw/zinc/16/58/93/381165893.db2.gz AZOIMKZXFFWKQJ-UHFFFAOYSA-N -1 0 300.278 -0.313 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000613474136 381126601 /nfs/dbraw/zinc/12/66/01/381126601.db2.gz FYXHAFWBZRIFBO-HTQZYQBOSA-N -1 0 304.376 -0.911 20 0 DBADRM C[C@H](CN(C)C(=O)CN1CCN(C2CC2)C1=O)c1nnn[n-]1 ZINC000613473598 381126971 /nfs/dbraw/zinc/12/69/71/381126971.db2.gz AWYLAHGVEAGVIN-SECBINFHSA-N -1 0 307.358 -0.338 20 0 DBADRM CC1(C)[C@H](O)C[C@@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613679880 381181453 /nfs/dbraw/zinc/18/14/53/381181453.db2.gz NYNTXCPBOKAANG-WDEREUQCSA-N -1 0 314.363 -0.071 20 0 DBADRM CC1(C)[C@H](O)C[C@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613679875 381181805 /nfs/dbraw/zinc/18/18/05/381181805.db2.gz NYNTXCPBOKAANG-GHMZBOCLSA-N -1 0 314.363 -0.071 20 0 DBADRM C[C@@H]1C[C@@H](O)CN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613874149 381202301 /nfs/dbraw/zinc/20/23/01/381202301.db2.gz KKYTYOTXPBGLNK-HTQZYQBOSA-N -1 0 300.336 -0.365 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2CC[C@@H](O)C2)c1 ZINC000613886064 381203452 /nfs/dbraw/zinc/20/34/52/381203452.db2.gz AXZXCYHVUMUZEB-DTWKUNHWSA-N -1 0 314.363 -0.070 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2CC[C@@H](O)C2)c1 ZINC000613886066 381203468 /nfs/dbraw/zinc/20/34/68/381203468.db2.gz AXZXCYHVUMUZEB-RKDXNWHRSA-N -1 0 314.363 -0.070 20 0 DBADRM CN1C[C@H](C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)NC1=O ZINC000613875643 381203682 /nfs/dbraw/zinc/20/36/82/381203682.db2.gz VDAAOJTYKJQEPX-SECBINFHSA-N -1 0 303.282 -0.670 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000614382078 381251074 /nfs/dbraw/zinc/25/10/74/381251074.db2.gz IHRBDYYXFQBEIP-SECBINFHSA-N -1 0 308.356 -0.335 20 0 DBADRM O=C(N[C@H](CO)CN1CCOCC1)c1s[n-]c(=O)c1Cl ZINC000614411950 381252279 /nfs/dbraw/zinc/25/22/79/381252279.db2.gz HKVBGFIEAPRXHX-ZETCQYMHSA-N -1 0 321.786 -0.075 20 0 DBADRM O=C(N[C@H](CO)CN1CCOCC1)c1ccc2oc(=O)nc-2[n-]1 ZINC000614411908 381252321 /nfs/dbraw/zinc/25/23/21/381252321.db2.gz GPPTUKGUPQJYFN-VIFPVBQESA-N -1 0 322.321 -0.649 20 0 DBADRM Cn1[n-]c(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1=O ZINC000614494475 381261402 /nfs/dbraw/zinc/26/14/02/381261402.db2.gz LEZRLTGCUNUQDL-RKDXNWHRSA-N -1 0 316.383 -0.427 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000614170778 381232437 /nfs/dbraw/zinc/23/24/37/381232437.db2.gz HMFMWUNOXZRVIM-GUBZILKMSA-N -1 0 308.338 -0.284 20 0 DBADRM O=C(c1ccn2nnnc2c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000614518394 381269616 /nfs/dbraw/zinc/26/96/16/381269616.db2.gz GMMFKRXNMVBKCC-VIFPVBQESA-N -1 0 314.309 -0.032 20 0 DBADRM O=C([O-])c1cc2c(c(S(=O)(=O)N3CCNC(=O)C3)c1)CCC2 ZINC000298854565 304228654 /nfs/dbraw/zinc/22/86/54/304228654.db2.gz NPDCSOINPSIVRA-UHFFFAOYSA-N -1 0 324.358 -0.006 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000530140478 381292792 /nfs/dbraw/zinc/29/27/92/381292792.db2.gz FOMZTAVWQXKGTO-JTQLQIEISA-N -1 0 308.400 -0.168 20 0 DBADRM CC[C@H]1COCCN1S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530149142 381294386 /nfs/dbraw/zinc/29/43/86/381294386.db2.gz LFLJLRFDHKVYFE-QMMMGPOBSA-N -1 0 303.340 -0.082 20 0 DBADRM C[C@@H]1C[C@H](NS(=O)(=O)c2c(C(=O)[O-])cnn2C)CCO1 ZINC000530155646 381295683 /nfs/dbraw/zinc/29/56/83/381295683.db2.gz WLFBFUCPMUKZBC-HTQZYQBOSA-N -1 0 303.340 -0.036 20 0 DBADRM Cc1ocnc1CNS(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530155628 381295815 /nfs/dbraw/zinc/29/58/15/381295815.db2.gz WEDCACRAOFEKAM-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N1CCOC[C@H]1C1CC1 ZINC000530155624 381296020 /nfs/dbraw/zinc/29/60/20/381296020.db2.gz WDCGHJAMZIKZAL-JTQLQIEISA-N -1 0 315.351 -0.082 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCC23CC(C2)CO3)C1 ZINC000530153242 381296106 /nfs/dbraw/zinc/29/61/06/381296106.db2.gz VWDAJLJTOSAXAW-SQLBVSGCSA-N -1 0 304.368 -0.204 20 0 DBADRM C[C@@H]1CN(c2ncnc(-n3cccn3)c2N)C[C@@H](C(=O)[O-])O1 ZINC000530177508 381296226 /nfs/dbraw/zinc/29/62/26/381296226.db2.gz RRJANDNGYIHQAO-BDAKNGLRSA-N -1 0 304.310 -0.077 20 0 DBADRM NC(=O)C1(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CCC1 ZINC000530294550 381303460 /nfs/dbraw/zinc/30/34/60/381303460.db2.gz IXNZDRBJQLAMSD-UHFFFAOYSA-N -1 0 302.294 -0.038 20 0 DBADRM Cn1cc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000032630797 381272329 /nfs/dbraw/zinc/27/23/29/381272329.db2.gz KIXCLXLFIINPJO-UHFFFAOYSA-N -1 0 316.364 -0.132 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@]2(O)CCOC2)ccc1[O-] ZINC000614562564 381278642 /nfs/dbraw/zinc/27/86/42/381278642.db2.gz SFZITRPRWCDXQE-LBPRGKRZSA-N -1 0 316.335 -0.610 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCC23CC(C2)CO3)c1 ZINC000529867240 381284432 /nfs/dbraw/zinc/28/44/32/381284432.db2.gz COFTZXFPGJCIAS-UHFFFAOYSA-N -1 0 312.347 -0.052 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCN2CCCS2(=O)=O)O[C@H]1C(=O)[O-] ZINC000630114797 381322585 /nfs/dbraw/zinc/32/25/85/381322585.db2.gz VSQHMBAJFXFUDC-OPRDCNLKSA-N -1 0 320.367 -0.984 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@H]2CCCS(=O)(=O)C2)O[C@H]1C(=O)[O-] ZINC000630118273 381324493 /nfs/dbraw/zinc/32/44/93/381324493.db2.gz DFVBBMOEZUAIIC-UTINFBMNSA-N -1 0 305.352 -0.442 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000630119160 381324618 /nfs/dbraw/zinc/32/46/18/381324618.db2.gz PXJHQQSWCLERJU-UHFFFAOYSA-N -1 0 318.355 -0.824 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(C(=O)[O-])nn1C ZINC000630117853 381324698 /nfs/dbraw/zinc/32/46/98/381324698.db2.gz BTIBQQUVVPLOHY-SSDOTTSWSA-N -1 0 303.340 -0.329 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCC(C)(C)S(C)(=O)=O)O[C@H]1C(=O)[O-] ZINC000630116075 381324862 /nfs/dbraw/zinc/32/48/62/381324862.db2.gz VDNCZQWXDDRUTK-IWSPIJDZSA-N -1 0 307.368 -0.196 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)c2cc(C(=O)[O-])nn2C)C1=O ZINC000630123799 381326150 /nfs/dbraw/zinc/32/61/50/381326150.db2.gz RTHCFVKZYJRUBM-ZETCQYMHSA-N -1 0 308.294 -0.616 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)Cn2cc(C(=O)[O-])cn2)CC1=O ZINC000630123579 381326557 /nfs/dbraw/zinc/32/65/57/381326557.db2.gz OMNIDYVNMARMQC-IEBDPFPHSA-N -1 0 306.322 -0.293 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)C1=O ZINC000630123838 381326577 /nfs/dbraw/zinc/32/65/77/381326577.db2.gz SJKYMLDIAKCMHC-KBIXCLLPSA-N -1 0 312.322 -0.483 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)CC1=O ZINC000630123647 381326676 /nfs/dbraw/zinc/32/66/76/381326676.db2.gz PPZOSTQMAWLOKS-MGLZNHIESA-N -1 0 310.350 -0.010 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)c2cc(C(=O)[O-])nn2C)C1 ZINC000630123561 381326712 /nfs/dbraw/zinc/32/67/12/381326712.db2.gz QQIWASNLWOGXHH-UHFFFAOYSA-N -1 0 310.310 -0.953 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC000630119724 381326733 /nfs/dbraw/zinc/32/67/33/381326733.db2.gz ZWLUQWQANYHUQJ-SECBINFHSA-N -1 0 317.367 -0.137 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC(OCC(=O)N(C)C)C2)O[C@H]1C(=O)[O-] ZINC000630124773 381328799 /nfs/dbraw/zinc/32/87/99/381328799.db2.gz ZJTRXMYUZSYRBE-HLUHBDAQSA-N -1 0 314.338 -0.820 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000627263612 381342879 /nfs/dbraw/zinc/34/28/79/381342879.db2.gz HNIFDFPBXJYAPB-UTUOFQBUSA-N -1 0 322.365 -0.043 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)cc1=O ZINC000614780327 381339028 /nfs/dbraw/zinc/33/90/28/381339028.db2.gz MGLSKINAOGSNFY-VIFPVBQESA-N -1 0 316.383 -0.330 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1C ZINC000530382752 381307377 /nfs/dbraw/zinc/30/73/77/381307377.db2.gz UQFKNXKWRIEMEZ-XCBNKYQSSA-N -1 0 305.356 -0.191 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCn2ccnc2)CC[C@H]1C(=O)[O-] ZINC000627260005 381318393 /nfs/dbraw/zinc/31/83/93/381318393.db2.gz CPJIGXKFHIUMEZ-GHMZBOCLSA-N -1 0 308.338 -0.432 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)cc1=O ZINC000614644521 381318935 /nfs/dbraw/zinc/31/89/35/381318935.db2.gz VMSVZBQBPJKIJH-OAHLLOKOSA-N -1 0 322.365 -0.285 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000630196687 381363061 /nfs/dbraw/zinc/36/30/61/381363061.db2.gz HPLHQGNERFKNJG-RYUDHWBXSA-N -1 0 309.322 -0.012 20 0 DBADRM CN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000630212248 381364679 /nfs/dbraw/zinc/36/46/79/381364679.db2.gz YCVMPGZVVSKEKY-GARJFASQSA-N -1 0 318.395 -0.020 20 0 DBADRM CCN1CCOC[C@H]1C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC000630218528 381364699 /nfs/dbraw/zinc/36/46/99/381364699.db2.gz FRTGHXBMEMJXII-MNOVXSKESA-N -1 0 302.396 -0.017 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N2CC3CC2(C(=O)[O-])C3)C1 ZINC000630206318 381364851 /nfs/dbraw/zinc/36/48/51/381364851.db2.gz QVSQBKJLQPEBLU-QUNCOHTASA-N -1 0 316.379 -0.266 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC000630207643 381365394 /nfs/dbraw/zinc/36/53/94/381365394.db2.gz SZLIVXROJZLOIT-CYBMUJFWSA-N -1 0 305.294 -0.273 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2CCc3occc3[C@@H]2C(=O)[O-])c1=O ZINC000630237367 381368621 /nfs/dbraw/zinc/36/86/21/381368621.db2.gz AOAYREBDAPXKGK-SNVBAGLBSA-N -1 0 319.273 -0.097 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000630235626 381368865 /nfs/dbraw/zinc/36/88/65/381368865.db2.gz FTXFJWSQPCYQCQ-NXEZZACHSA-N -1 0 302.352 -0.657 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000540703727 381369016 /nfs/dbraw/zinc/36/90/16/381369016.db2.gz JXXDOZSIPOXQFN-ZETCQYMHSA-N -1 0 303.340 -0.142 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000540703726 381369061 /nfs/dbraw/zinc/36/90/61/381369061.db2.gz JXXDOZSIPOXQFN-SSDOTTSWSA-N -1 0 303.340 -0.142 20 0 DBADRM NC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000540983641 381374671 /nfs/dbraw/zinc/37/46/71/381374671.db2.gz IDDMLISNESIPRB-MRVPVSSYSA-N -1 0 322.726 -0.837 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000630250111 381375922 /nfs/dbraw/zinc/37/59/22/381375922.db2.gz QVDGDSYAZFOORM-SKDRFNHKSA-N -1 0 320.367 -0.888 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC000630268540 381376695 /nfs/dbraw/zinc/37/66/95/381376695.db2.gz APYVVQBOPZOMAY-DCAQKATOSA-N -1 0 319.379 -0.050 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCCOCC(=O)[O-])o1 ZINC000630261798 381377772 /nfs/dbraw/zinc/37/77/72/381377772.db2.gz CBPDJIQLTONZQZ-UHFFFAOYSA-N -1 0 306.296 -0.981 20 0 DBADRM CS(=O)(=O)c1ccccc1CC(=O)NCCOCC(=O)[O-] ZINC000630262092 381377907 /nfs/dbraw/zinc/37/79/07/381377907.db2.gz JMLSQZIQNHBVIH-UHFFFAOYSA-N -1 0 315.347 -0.150 20 0 DBADRM O=C(N[C@H]1CC[C@@H](CO)CC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000130804708 381410268 /nfs/dbraw/zinc/41/02/68/381410268.db2.gz JXKDAFACRIOXJS-CZMCAQCFSA-N -1 0 318.333 -0.108 20 0 DBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC000630303406 381383495 /nfs/dbraw/zinc/38/34/95/381383495.db2.gz WUKLEEBTXSQFSK-UHFFFAOYSA-N -1 0 319.383 -0.808 20 0 DBADRM CCn1nc(C(=O)N2C[C@H](OC)C[C@@]2(C)C(=O)[O-])ccc1=O ZINC000630310392 381385722 /nfs/dbraw/zinc/38/57/22/381385722.db2.gz NPGHAQKFWJLWJZ-OTYXRUKQSA-N -1 0 309.322 -0.033 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000630312465 381388149 /nfs/dbraw/zinc/38/81/49/381388149.db2.gz OUTQZYJKKYNZCY-SKDRFNHKSA-N -1 0 307.368 -0.098 20 0 DBADRM Cc1cc(CNC(=O)CS(=O)(=O)N(C)C)oc1C(=O)[O-] ZINC000630329723 381389349 /nfs/dbraw/zinc/38/93/49/381389349.db2.gz DOGOWNBCMPGDQW-UHFFFAOYSA-N -1 0 304.324 -0.206 20 0 DBADRM Cc1cc(CNC(=O)[C@@H]2CCS(=O)(=O)N2)oc1C(=O)[O-] ZINC000630330992 381389374 /nfs/dbraw/zinc/38/93/74/381389374.db2.gz PRVCZNCVSWQERZ-QMMMGPOBSA-N -1 0 302.308 -0.406 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)c2ccn3nnnc3c2)CCCOC1 ZINC000630337649 381389960 /nfs/dbraw/zinc/38/99/60/381389960.db2.gz AKJYRNLULKJFDP-ZDUSSCGKSA-N -1 0 305.294 -0.265 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)[C@@](C)(C(=O)[O-])C1 ZINC000630315941 381390274 /nfs/dbraw/zinc/39/02/74/381390274.db2.gz ZNAKRGPDWTYWJL-VDDIYKPWSA-N -1 0 305.352 -0.488 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000627267563 381393733 /nfs/dbraw/zinc/39/37/33/381393733.db2.gz PVGLHCXHXJSNED-GHMZBOCLSA-N -1 0 316.354 -0.665 20 0 DBADRM COC(=O)c1scc(C)c1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000614949586 381435330 /nfs/dbraw/zinc/43/53/30/381435330.db2.gz YPXGWPUDAGIJFF-UHFFFAOYSA-N -1 0 324.322 -0.389 20 0 DBADRM CN1CCN(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)CC1=O ZINC000545885461 381444843 /nfs/dbraw/zinc/44/48/43/381444843.db2.gz UXJFATOEMYJIMY-UHFFFAOYSA-N -1 0 315.337 -0.421 20 0 DBADRM C[C@](O)(CNC(=O)C[C@@H](NC(N)=O)c1ccccc1)C(=O)[O-] ZINC000546024413 381449728 /nfs/dbraw/zinc/44/97/28/381449728.db2.gz LCHNUIUCFQCBJJ-YGRLFVJLSA-N -1 0 309.322 -0.262 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CC1=O ZINC000630442581 381417621 /nfs/dbraw/zinc/41/76/21/381417621.db2.gz FSRMVRQHSXNRII-VHSXEESVSA-N -1 0 304.368 -0.124 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1=O ZINC000630445747 381419043 /nfs/dbraw/zinc/41/90/43/381419043.db2.gz FEVPSEVLGJMVBS-SKDRFNHKSA-N -1 0 304.368 -0.124 20 0 DBADRM COCCCCS(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000547551358 381485180 /nfs/dbraw/zinc/48/51/80/381485180.db2.gz SCYNDHLQYINTAG-LLVKDONJSA-N -1 0 319.383 -0.009 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])cn1 ZINC000547551763 381485307 /nfs/dbraw/zinc/48/53/07/381485307.db2.gz MLTUPESBKRURIH-PSASIEDQSA-N -1 0 303.340 -0.422 20 0 DBADRM C[C@H](CN(C)C(=O)CCN1CCCS1(=O)=O)c1nnn[n-]1 ZINC000547486795 381481085 /nfs/dbraw/zinc/48/10/85/381481085.db2.gz DXYFEGOQPZMBRT-SECBINFHSA-N -1 0 316.387 -0.813 20 0 DBADRM COCCOCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547555238 381485344 /nfs/dbraw/zinc/48/53/44/381485344.db2.gz HNEOFHIMNWFQDF-UWVGGRQHSA-N -1 0 311.356 -0.942 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])c[nH]1 ZINC000547552097 381484581 /nfs/dbraw/zinc/48/45/81/381484581.db2.gz CSLHMZIMUKOKOQ-RKDXNWHRSA-N -1 0 303.340 -0.124 20 0 DBADRM COC[C@H](NS(=O)(=O)c1csc(C(=O)OC)c1)C(=O)[O-] ZINC000548218213 381520286 /nfs/dbraw/zinc/52/02/86/381520286.db2.gz WHGBPEYSUICDCB-ZETCQYMHSA-N -1 0 323.348 -0.087 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000547924269 381504003 /nfs/dbraw/zinc/50/40/03/381504003.db2.gz VTXCQORDMXTIRE-UTLUCORTSA-N -1 0 319.383 -0.634 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)C1 ZINC000547907539 381504155 /nfs/dbraw/zinc/50/41/55/381504155.db2.gz VBDIEWYKEXWUAU-MRVPVSSYSA-N -1 0 303.344 -0.961 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])C1 ZINC000547929910 381504900 /nfs/dbraw/zinc/50/49/00/381504900.db2.gz ATAMNAVXFLKMOS-IDHHQXPSSA-N -1 0 310.397 -0.910 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cnn(CC)c1)C(=O)[O-] ZINC000547937468 381505331 /nfs/dbraw/zinc/50/53/31/381505331.db2.gz GWWUNSSVZLHVLQ-ZJUUUORDSA-N -1 0 305.356 -0.205 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000547940567 381506334 /nfs/dbraw/zinc/50/63/34/381506334.db2.gz QDCYKIDWBVQDMR-MRVPVSSYSA-N -1 0 303.344 -0.819 20 0 DBADRM COCc1ccccc1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC000548196518 381517164 /nfs/dbraw/zinc/51/71/64/381517164.db2.gz GYHLUSYKKIPZLS-SNVBAGLBSA-N -1 0 303.336 -0.053 20 0 DBADRM CCCCN(C)S(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-] ZINC000548201025 381517574 /nfs/dbraw/zinc/51/75/74/381517574.db2.gz DAJPQFRTNUAQNB-LLVKDONJSA-N -1 0 323.415 -0.662 20 0 DBADRM COCc1ccccc1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC000548199294 381517663 /nfs/dbraw/zinc/51/76/63/381517663.db2.gz PKUMBMJCCUHLLG-JTQLQIEISA-N -1 0 303.336 -0.053 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000548212549 381519096 /nfs/dbraw/zinc/51/90/96/381519096.db2.gz AAPHQAWAIRPFLJ-UWVGGRQHSA-N -1 0 319.383 -0.904 20 0 DBADRM Nc1cccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC000548203433 381519129 /nfs/dbraw/zinc/51/91/29/381519129.db2.gz ZQSSJDTYNWXBQO-NSHDSACASA-N -1 0 310.335 -0.034 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-] ZINC000548221755 381519192 /nfs/dbraw/zinc/51/91/92/381519192.db2.gz CYZJUXRHYPFIGO-VIFPVBQESA-N -1 0 305.356 -0.083 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000548203034 381519244 /nfs/dbraw/zinc/51/92/44/381519244.db2.gz JYKURDMABQZUNE-MRVPVSSYSA-N -1 0 303.340 -0.403 20 0 DBADRM Cc1sc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1[N+](=O)[O-] ZINC000547565285 381486767 /nfs/dbraw/zinc/48/67/67/381486767.db2.gz LHHLOZPLBGLSEM-LURJTMIESA-N -1 0 310.309 -0.311 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-] ZINC000547566036 381486831 /nfs/dbraw/zinc/48/68/31/381486831.db2.gz SMVZWWLNVXOFSY-VIFPVBQESA-N -1 0 302.308 -0.837 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000547573465 381487035 /nfs/dbraw/zinc/48/70/35/381487035.db2.gz SPUYDGSNBKZGPT-RXMQYKEDSA-N -1 0 324.336 -0.692 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCC[C@H](C)CC(=O)[O-] ZINC000547591882 381487178 /nfs/dbraw/zinc/48/71/78/381487178.db2.gz HESNXSOEAQLZKL-VIFPVBQESA-N -1 0 310.372 -0.183 20 0 DBADRM C[C@H](CCCNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000547561492 381487190 /nfs/dbraw/zinc/48/71/90/381487190.db2.gz JGGBOMVRYYGGNS-SECBINFHSA-N -1 0 315.413 -0.159 20 0 DBADRM Cn1cc(C[C@@H](CNS(=O)(=O)NC2CC2)C(=O)[O-])cn1 ZINC000547563357 381487225 /nfs/dbraw/zinc/48/72/25/381487225.db2.gz YJKIMJADPQAINM-VIFPVBQESA-N -1 0 302.356 -0.750 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCOCC2)cn1 ZINC000547616107 381488664 /nfs/dbraw/zinc/48/86/64/381488664.db2.gz YDVYCPLGLIDHMK-LLVKDONJSA-N -1 0 317.367 -0.032 20 0 DBADRM COCCCCS(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000548214549 381519943 /nfs/dbraw/zinc/51/99/43/381519943.db2.gz YDZMJSVAROPBFZ-SNVBAGLBSA-N -1 0 322.383 -0.735 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547874609 381500389 /nfs/dbraw/zinc/50/03/89/381500389.db2.gz IPSGUQBHTMPUTD-NXEZZACHSA-N -1 0 317.367 -0.195 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000547871211 381500559 /nfs/dbraw/zinc/50/05/59/381500559.db2.gz KNCYAKSTZSAFKX-WPRPVWTQSA-N -1 0 315.351 -0.260 20 0 DBADRM COCc1ccccc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC000547871713 381500601 /nfs/dbraw/zinc/50/06/01/381500601.db2.gz GYHLUSYKKIPZLS-JTQLQIEISA-N -1 0 303.336 -0.053 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)N1CC[C@@H](C)C1)C(=O)[O-] ZINC000548203984 381520199 /nfs/dbraw/zinc/52/01/99/381520199.db2.gz XYGIUTIHEFROSR-BDAKNGLRSA-N -1 0 308.356 -0.431 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-] ZINC000548221754 381520239 /nfs/dbraw/zinc/52/02/39/381520239.db2.gz CYZJUXRHYPFIGO-SECBINFHSA-N -1 0 305.356 -0.083 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)c1cncc(F)c1)[C@@H]1CCOC1 ZINC000547882916 381501296 /nfs/dbraw/zinc/50/12/96/381501296.db2.gz YEPVOOOEWRPJGE-GMSGAONNSA-N -1 0 304.299 -0.011 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547881380 381502297 /nfs/dbraw/zinc/50/22/97/381502297.db2.gz IZTIOHYLBJIDTH-KOLCDFICSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000547878012 381502432 /nfs/dbraw/zinc/50/24/32/381502432.db2.gz WSOZDNJAFLBBFP-DJLDLDEBSA-N -1 0 309.340 -0.917 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548537346 381537096 /nfs/dbraw/zinc/53/70/96/381537096.db2.gz SYDRIZKNEQQGMH-KXUCPTDWSA-N -1 0 323.367 -0.405 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000548836263 381552253 /nfs/dbraw/zinc/55/22/53/381552253.db2.gz PBZNIOUTKQOQHO-LLVKDONJSA-N -1 0 303.340 -0.014 20 0 DBADRM Cn1cc(C[C@H](CNS(=O)(=O)N2CCCC2)C(=O)[O-])cn1 ZINC000548544036 381537272 /nfs/dbraw/zinc/53/72/72/381537272.db2.gz SDBPTTVNOBQUCJ-LLVKDONJSA-N -1 0 316.383 -0.406 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@@H](OC)C(=O)[O-] ZINC000548543703 381538063 /nfs/dbraw/zinc/53/80/63/381538063.db2.gz FWHNHHGIIHDJSA-OPRDCNLKSA-N -1 0 323.367 -0.263 20 0 DBADRM COCCn1cc(S(=O)(=O)N(C)[C@H](COC)C(=O)[O-])cn1 ZINC000548571537 381538858 /nfs/dbraw/zinc/53/88/58/381538858.db2.gz OZPCPHDGWWBHOI-SNVBAGLBSA-N -1 0 321.355 -0.750 20 0 DBADRM CCC(=O)C[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000548566223 381539907 /nfs/dbraw/zinc/53/99/07/381539907.db2.gz AYWBOEDWDAMJLK-WCABBAIRSA-N -1 0 322.383 -0.248 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])C1 ZINC000548586604 381541126 /nfs/dbraw/zinc/54/11/26/381541126.db2.gz XIQAFLXUGVDFKR-KFTBIWSRSA-N -1 0 324.424 -0.519 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCOCC(=O)[O-])c(C)o1 ZINC000548592770 381541414 /nfs/dbraw/zinc/54/14/14/381541414.db2.gz MLPUKJSGXZDJIS-UHFFFAOYSA-N -1 0 321.307 -0.246 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1ccc(N2CCCC2)nn1 ZINC000080975324 381552616 /nfs/dbraw/zinc/55/26/16/381552616.db2.gz SNKOGMKLCUOBDB-UHFFFAOYSA-N -1 0 317.353 -0.149 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548770282 381550231 /nfs/dbraw/zinc/55/02/31/381550231.db2.gz WTJGBFKNGHXUDK-ZJUUUORDSA-N -1 0 317.367 -0.113 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cccc2n[nH]nc21)C(=O)OC ZINC000615112929 381550258 /nfs/dbraw/zinc/55/02/58/381550258.db2.gz NOSQKCWLACFJBX-SECBINFHSA-N -1 0 306.278 -0.208 20 0 DBADRM CCn1cncc1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC000548235314 381521286 /nfs/dbraw/zinc/52/12/86/381521286.db2.gz HKNSHXUKZNQKNN-VIFPVBQESA-N -1 0 305.356 -0.251 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000548256700 381521750 /nfs/dbraw/zinc/52/17/50/381521750.db2.gz FFHNNWCJVDCODK-ROXHKKKXSA-N -1 0 313.397 -0.741 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C1CC1 ZINC000548262624 381523648 /nfs/dbraw/zinc/52/36/48/381523648.db2.gz OSSANSAYJUQMCW-MWLCHTKSSA-N -1 0 315.351 -0.014 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCCc2nc(=O)o[n-]2)C1 ZINC000548418719 381530724 /nfs/dbraw/zinc/53/07/24/381530724.db2.gz NURTXLSCDHSHSP-DTORHVGOSA-N -1 0 304.372 -0.282 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@]12CCC(=O)N1CCS2)c1nnn[n-]1 ZINC000548467129 381533295 /nfs/dbraw/zinc/53/32/95/381533295.db2.gz IGMRRKXXXHDQDR-PELKAZGASA-N -1 0 310.383 -0.173 20 0 DBADRM C[C@H](CN(C)C(=O)[C@]12CCC(=O)N1CCS2)c1nnn[n-]1 ZINC000548467130 381533422 /nfs/dbraw/zinc/53/34/22/381533422.db2.gz IGMRRKXXXHDQDR-PRHODGIISA-N -1 0 310.383 -0.173 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)C[C@H](C)O1 ZINC000548528915 381535503 /nfs/dbraw/zinc/53/55/03/381535503.db2.gz IARAFNPXWVFSHD-VLEAKVRGSA-N -1 0 322.383 -0.580 20 0 DBADRM Cc1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c(F)cc1F ZINC000548524494 381535647 /nfs/dbraw/zinc/53/56/47/381535647.db2.gz KBUGRGUECXCENP-UHFFFAOYSA-N -1 0 322.289 -0.248 20 0 DBADRM NS(=O)(=O)c1ccc(S(=O)(=O)NCCCC(=O)[O-])cc1 ZINC000548527454 381536145 /nfs/dbraw/zinc/53/61/45/381536145.db2.gz GFKUYYOTSRYYPX-UHFFFAOYSA-N -1 0 322.364 -0.523 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](CCSC)C(=O)[O-] ZINC000548534447 381536156 /nfs/dbraw/zinc/53/61/56/381536156.db2.gz GFGPIIFGPDNCJB-MRVPVSSYSA-N -1 0 300.402 -0.395 20 0 DBADRM C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000548526527 381536291 /nfs/dbraw/zinc/53/62/91/381536291.db2.gz GAVXCQWPQVYNBP-SSDOTTSWSA-N -1 0 322.364 -0.525 20 0 DBADRM O=C(CCn1cnccc1=O)NC1(c2nnn[n-]2)CCCC1 ZINC000551256657 381581366 /nfs/dbraw/zinc/58/13/66/381581366.db2.gz IBMTVHSQEBQZHZ-UHFFFAOYSA-N -1 0 303.326 -0.268 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000627273922 381553402 /nfs/dbraw/zinc/55/34/02/381553402.db2.gz MIYKNHUYMPMHDW-UWVGGRQHSA-N -1 0 313.354 -0.850 20 0 DBADRM Cn1[n-]nnc1=N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000548872425 381554289 /nfs/dbraw/zinc/55/42/89/381554289.db2.gz RGMOEVHROWEWET-LLVKDONJSA-N -1 0 302.338 -0.276 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)O)CC[C@@H]1C(=O)[O-] ZINC000627274894 381568005 /nfs/dbraw/zinc/56/80/05/381568005.db2.gz ZQZLBWSTDFWYBZ-ZJUUUORDSA-N -1 0 300.355 -0.167 20 0 DBADRM O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC000089961895 381607522 /nfs/dbraw/zinc/60/75/22/381607522.db2.gz PIBUODYMOMCGBU-VXGBXAGGSA-N -1 0 317.349 -0.537 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCOCC(F)F)CC[C@@H]1C(=O)[O-] ZINC000627275263 381613304 /nfs/dbraw/zinc/61/33/04/381613304.db2.gz GTTWZPNYPHQZAB-BDAKNGLRSA-N -1 0 322.308 -0.047 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC000252860753 381615635 /nfs/dbraw/zinc/61/56/35/381615635.db2.gz NCUCARZJQYGVLC-BBBLOLIVSA-N -1 0 322.383 -0.043 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)NCCOCC(=O)[O-])cc1 ZINC000093228364 381619011 /nfs/dbraw/zinc/61/90/11/381619011.db2.gz VCEVSRWLPMACLR-UHFFFAOYSA-N -1 0 302.308 -0.835 20 0 DBADRM CCN(CC)C(=O)[C@H]1CSCN1C(=O)CCc1nnn[n-]1 ZINC000630866329 381620481 /nfs/dbraw/zinc/62/04/81/381620481.db2.gz FTQXOZIYZKUBCF-SECBINFHSA-N -1 0 312.399 -0.098 20 0 DBADRM CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)CCc1nnn[n-]1 ZINC000630868867 381623060 /nfs/dbraw/zinc/62/30/60/381623060.db2.gz RAQXGGHVJOOECB-SECBINFHSA-N -1 0 312.399 -0.099 20 0 DBADRM NC(=O)COc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000262353497 381625468 /nfs/dbraw/zinc/62/54/68/381625468.db2.gz VLUFMGMUYCCFQR-AWEZNQCLSA-N -1 0 308.290 -0.476 20 0 DBADRM CCCN(C)C(=O)[C@H]1CSCN1C(=O)CCc1nnn[n-]1 ZINC000630873499 381632636 /nfs/dbraw/zinc/63/26/36/381632636.db2.gz QSHHLRSUWHGOAP-SECBINFHSA-N -1 0 312.399 -0.098 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-] ZINC000565994708 381633066 /nfs/dbraw/zinc/63/30/66/381633066.db2.gz KGTIMPPFZXVUQX-SECBINFHSA-N -1 0 323.367 -0.167 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000566236698 381647428 /nfs/dbraw/zinc/64/74/28/381647428.db2.gz ITZTULVNJTVKMK-SECBINFHSA-N -1 0 313.354 -0.565 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCCCC(=O)[O-] ZINC000566181520 381640616 /nfs/dbraw/zinc/64/06/16/381640616.db2.gz JJKMZGDDPMTBKG-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM CNS(=O)(=O)c1ccc(N2CCC(O)(C(=O)[O-])CC2)nc1 ZINC000566563427 381663644 /nfs/dbraw/zinc/66/36/44/381663644.db2.gz CTQPZYHNXPVTTF-UHFFFAOYSA-N -1 0 315.351 -0.594 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cnc2n1CCC2 ZINC000566852886 381673252 /nfs/dbraw/zinc/67/32/52/381673252.db2.gz BYQHAHFANPNXKY-GFCCVEGCSA-N -1 0 317.367 -0.013 20 0 DBADRM Cc1c(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)cnn1C ZINC000567691533 381710091 /nfs/dbraw/zinc/71/00/91/381710091.db2.gz ZBMSWEMEGNBSPB-LLVKDONJSA-N -1 0 303.340 -0.359 20 0 DBADRM Cc1oc(S(=O)(=O)NC[C@H]2COCCO2)cc1C(=O)[O-] ZINC000567804791 381714363 /nfs/dbraw/zinc/71/43/63/381714363.db2.gz ZDUBVNTVKSAOJX-QMMMGPOBSA-N -1 0 305.308 -0.020 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000567809208 381714681 /nfs/dbraw/zinc/71/46/81/381714681.db2.gz LIJZEIIXPLAOCP-AOOOYVTPSA-N -1 0 310.372 -0.721 20 0 DBADRM O=C([O-])CCC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000567048026 381677128 /nfs/dbraw/zinc/67/71/28/381677128.db2.gz HNHXEDSODGTEHR-SNVBAGLBSA-N -1 0 322.383 -0.544 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(S(=O)(=O)N1CCOCC1)CC2 ZINC000405282418 381681277 /nfs/dbraw/zinc/68/12/77/381681277.db2.gz CRMPMAHSTWZFFO-JTQLQIEISA-N -1 0 304.368 -0.250 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)N(C)[C@H](C)C(=O)[O-] ZINC000567460549 381697446 /nfs/dbraw/zinc/69/74/46/381697446.db2.gz FBPOISALWGQRRT-SECBINFHSA-N -1 0 309.388 -0.228 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000567468289 381697644 /nfs/dbraw/zinc/69/76/44/381697644.db2.gz HXZIPCVLRIRFDF-SECBINFHSA-N -1 0 320.371 -0.545 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000567612967 381704585 /nfs/dbraw/zinc/70/45/85/381704585.db2.gz GEKBFZYIRIEQJU-RKDXNWHRSA-N -1 0 311.290 -0.008 20 0 DBADRM Cn1cc(CCNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cn1 ZINC000567609645 381705365 /nfs/dbraw/zinc/70/53/65/381705365.db2.gz VCISQUKXNSFFKQ-SNVBAGLBSA-N -1 0 302.356 -0.654 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000158590242 381746533 /nfs/dbraw/zinc/74/65/33/381746533.db2.gz UUTPRFBDGQVNSJ-VIFPVBQESA-N -1 0 317.319 -0.164 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC000568415387 381759473 /nfs/dbraw/zinc/75/94/73/381759473.db2.gz RMAUFMOUQJWMAX-GXFFZTMASA-N -1 0 319.379 -0.097 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)N2CC(C(=O)[O-])C2)s1 ZINC000568277441 381751585 /nfs/dbraw/zinc/75/15/85/381751585.db2.gz WNFDADVKUKAVLW-UHFFFAOYSA-N -1 0 305.337 -0.193 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC000568415386 381759764 /nfs/dbraw/zinc/75/97/64/381759764.db2.gz RMAUFMOUQJWMAX-GWCFXTLKSA-N -1 0 319.379 -0.097 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000567844531 381718234 /nfs/dbraw/zinc/71/82/34/381718234.db2.gz QIPVETUMNXVTAK-SNVBAGLBSA-N -1 0 311.338 -1.000 20 0 DBADRM C[C@](O)(CNC(=O)CNC(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000567863374 381720176 /nfs/dbraw/zinc/72/01/76/381720176.db2.gz MFXLLTNHIKTTOD-ZDUSSCGKSA-N -1 0 316.260 -0.354 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000567862817 381720903 /nfs/dbraw/zinc/72/09/03/381720903.db2.gz WMCWVPYASRWAAS-YGOYTEALSA-N -1 0 308.338 -0.081 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000567880210 381721951 /nfs/dbraw/zinc/72/19/51/381721951.db2.gz DOBQBFRFRSTMQI-UHFFFAOYSA-N -1 0 321.337 -0.894 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(F)c1 ZINC000572759676 381800403 /nfs/dbraw/zinc/80/04/03/381800403.db2.gz YAZCCFZVCKCYFM-MRVPVSSYSA-N -1 0 321.282 -0.664 20 0 DBADRM O=C([O-])[C@@H]1COCCN1CCc1nnnn1-c1ccccc1 ZINC000569131485 381789815 /nfs/dbraw/zinc/78/98/15/381789815.db2.gz ZYHFWKYJAGVOEP-LBPRGKRZSA-N -1 0 303.322 -0.010 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-] ZINC000569231936 381792112 /nfs/dbraw/zinc/79/21/12/381792112.db2.gz ATBDHXDBUHYNEA-QWRGUYRKSA-N -1 0 309.384 -0.053 20 0 DBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)NCCCC(=O)[O-] ZINC000569220120 381792229 /nfs/dbraw/zinc/79/22/29/381792229.db2.gz MSAQHYCYQDDNNW-GHMZBOCLSA-N -1 0 304.343 -0.029 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)CCc1scnc1C)[C@@H](C)O ZINC000569238052 381794640 /nfs/dbraw/zinc/79/46/40/381794640.db2.gz ONNAZGPBAWYPQQ-PSASIEDQSA-N -1 0 322.408 -0.164 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)cn1 ZINC000572637028 381796864 /nfs/dbraw/zinc/79/68/64/381796864.db2.gz LQSULYIETRYKJT-AXFHLTTASA-N -1 0 315.351 -0.187 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000568617922 381765646 /nfs/dbraw/zinc/76/56/46/381765646.db2.gz AGMGEDSTITWVMI-GHMZBOCLSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]2(C)CO)C[C@@H]1C(=O)[O-] ZINC000568628751 381768391 /nfs/dbraw/zinc/76/83/91/381768391.db2.gz YVVDOZDGLVPSCE-JRPNMDOOSA-N -1 0 312.366 -0.071 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000568741258 381773106 /nfs/dbraw/zinc/77/31/06/381773106.db2.gz QCECEVSTTZBQMN-GFCCVEGCSA-N -1 0 317.367 -0.078 20 0 DBADRM CC(C)OC[C@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])CCO1 ZINC000568865981 381776526 /nfs/dbraw/zinc/77/65/26/381776526.db2.gz CQKYONGJYJJDKE-LLVKDONJSA-N -1 0 316.354 -0.380 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)C2(C(=O)[O-])CCC2)C1 ZINC000568868941 381777222 /nfs/dbraw/zinc/77/72/22/381777222.db2.gz CNJJSKRCQVYYGA-VIFPVBQESA-N -1 0 304.368 -0.361 20 0 DBADRM Cc1nnc([C@@H]2CCCN(C(=O)C(=O)NCCCC(=O)[O-])C2)[nH]1 ZINC000573488651 381828362 /nfs/dbraw/zinc/82/83/62/381828362.db2.gz BMVRDSLNURXWKR-SNVBAGLBSA-N -1 0 323.353 -0.200 20 0 DBADRM Cc1oc(C(=O)NC2(CC(=O)[O-])CC2)cc1S(N)(=O)=O ZINC000573450936 381828883 /nfs/dbraw/zinc/82/88/83/381828883.db2.gz MHDAPSLATLJVAW-UHFFFAOYSA-N -1 0 302.308 -0.027 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000573690137 381836633 /nfs/dbraw/zinc/83/66/33/381836633.db2.gz WNGMKXPETZAVKW-LLVKDONJSA-N -1 0 315.347 -0.471 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cn(C)nc2C)C1 ZINC000573677267 381836939 /nfs/dbraw/zinc/83/69/39/381836939.db2.gz VPIJYQWLFPPOQM-LBPRGKRZSA-N -1 0 317.367 -0.160 20 0 DBADRM COCC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-] ZINC000573772070 381841379 /nfs/dbraw/zinc/84/13/79/381841379.db2.gz PZUPOZWEZHDVKZ-VIFPVBQESA-N -1 0 323.367 -0.261 20 0 DBADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](O)Cn1ccnn1 ZINC000573863496 381843071 /nfs/dbraw/zinc/84/30/71/381843071.db2.gz ROILVWHFCMVMHP-RQJHMYQMSA-N -1 0 302.278 -0.491 20 0 DBADRM C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC000165174901 381805678 /nfs/dbraw/zinc/80/56/78/381805678.db2.gz YFEODRHDTNAADG-ZETCQYMHSA-N -1 0 315.351 -0.535 20 0 DBADRM CCCN(C)S(=O)(=O)N[C@@H](CCC(=O)OCC)C(=O)[O-] ZINC000572945048 381807557 /nfs/dbraw/zinc/80/75/57/381807557.db2.gz XIXNIGQJAOFYKI-VIFPVBQESA-N -1 0 310.372 -0.041 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N2CC[C@@H](C)C2)C1 ZINC000572952723 381808000 /nfs/dbraw/zinc/80/80/00/381808000.db2.gz GCJHYZKQKCQWGI-ZYHUDNBSSA-N -1 0 306.384 -0.004 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@H]1CCOC1)[C@@H]1CCCOC1 ZINC000572993232 381809978 /nfs/dbraw/zinc/80/99/78/381809978.db2.gz UVMMLLIHWVSYLF-HBNTYKKESA-N -1 0 307.368 -0.178 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1 ZINC000573157785 381816400 /nfs/dbraw/zinc/81/64/00/381816400.db2.gz USBHIRSZSBNYAO-VIFPVBQESA-N -1 0 308.356 -0.477 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)CNC(=O)C3CC3)C2)nn1 ZINC000575062314 381881992 /nfs/dbraw/zinc/88/19/92/381881992.db2.gz FVZUBIRUXGTXQI-SNVBAGLBSA-N -1 0 321.337 -0.334 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000575125930 381883766 /nfs/dbraw/zinc/88/37/66/381883766.db2.gz LVGKCBNPBBQXJK-UHFFFAOYSA-N -1 0 318.355 -0.667 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC000573966555 381846465 /nfs/dbraw/zinc/84/64/65/381846465.db2.gz YYZWXONSQCSXKL-VIFPVBQESA-N -1 0 313.335 -0.464 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H](C)c1ccnn1C)[C@H](C)C(=O)[O-] ZINC000573965985 381846612 /nfs/dbraw/zinc/84/66/12/381846612.db2.gz MQTNSNFUPGMISU-VHSXEESVSA-N -1 0 310.354 -0.039 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)CC1(CC(=O)OC)CC1 ZINC000574133369 381852117 /nfs/dbraw/zinc/85/21/17/381852117.db2.gz MCLNXPPFPINPGD-SECBINFHSA-N -1 0 323.367 -0.309 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)C[C@@H]1CCCO1)C(=O)[O-] ZINC000168825175 381858553 /nfs/dbraw/zinc/85/85/53/381858553.db2.gz AUKXUGCDGAXADZ-DTWKUNHWSA-N -1 0 309.340 -0.509 20 0 DBADRM Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@@H](CO)C(=O)[O-] ZINC000574470741 381864812 /nfs/dbraw/zinc/86/48/12/381864812.db2.gz QSWBHUMIFYZHKD-JTQLQIEISA-N -1 0 306.282 -0.462 20 0 DBADRM Cc1ccncc1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000574695738 381873059 /nfs/dbraw/zinc/87/30/59/381873059.db2.gz YCGGBPYBFOSFQU-MRVPVSSYSA-N -1 0 301.324 -0.613 20 0 DBADRM C[C@H](O)[C@@H](NS(=O)(=O)c1ccc2c(c1)N(C)CC2)C(=O)[O-] ZINC000574653362 381874015 /nfs/dbraw/zinc/87/40/15/381874015.db2.gz QCMALRRNWPDVSP-QPUJVOFHSA-N -1 0 314.363 -0.209 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CN1CCNCC1=O ZINC000575927211 381905564 /nfs/dbraw/zinc/90/55/64/381905564.db2.gz XNYNDXZUNNKMHR-WOPDTQHZSA-N -1 0 309.366 -0.338 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)CCOC(F)(F)F)C(=O)[O-] ZINC000575962785 381906862 /nfs/dbraw/zinc/90/68/62/381906862.db2.gz WVBHPZXEFACRKL-RXMQYKEDSA-N -1 0 322.261 -0.839 20 0 DBADRM CC(C)N(C[C@H]1CCC(=O)N1)C(=O)C(=O)NCCCC(=O)[O-] ZINC000576279874 381918347 /nfs/dbraw/zinc/91/83/47/381918347.db2.gz JHBJRFFGQZBUFC-SNVBAGLBSA-N -1 0 313.354 -0.517 20 0 DBADRM CC[C@@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000576346041 381920923 /nfs/dbraw/zinc/92/09/23/381920923.db2.gz DLGPENNOKLJMPH-MRVPVSSYSA-N -1 0 315.413 -0.018 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000576391309 381922307 /nfs/dbraw/zinc/92/23/07/381922307.db2.gz RVLURHQUUVAJLC-ONGXEEELSA-N -1 0 317.367 -0.113 20 0 DBADRM CN(CCc1cnccn1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000577510305 381965925 /nfs/dbraw/zinc/96/59/25/381965925.db2.gz UTLPPHJBPYIVKC-LLVKDONJSA-N -1 0 314.367 -0.255 20 0 DBADRM CCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCCCC(=O)[O-] ZINC000577610542 381967146 /nfs/dbraw/zinc/96/71/46/381967146.db2.gz KZHVNPBBAXPNBI-ZJUUUORDSA-N -1 0 302.327 -0.722 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000577637702 381968195 /nfs/dbraw/zinc/96/81/95/381968195.db2.gz BCYMAGAMEKMDKE-NSHDSACASA-N -1 0 322.365 -0.214 20 0 DBADRM CCOC[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000577670006 381969974 /nfs/dbraw/zinc/96/99/74/381969974.db2.gz VGTMPSDISVLYNY-BBBLOLIVSA-N -1 0 310.372 -0.580 20 0 DBADRM C[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)[C@@H](C)C(=O)[O-] ZINC000576751907 381933589 /nfs/dbraw/zinc/93/35/89/381933589.db2.gz RSKQPONWEHKMAA-HTQZYQBOSA-N -1 0 301.386 -0.550 20 0 DBADRM CN(CCc1cnccn1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000577059375 381945505 /nfs/dbraw/zinc/94/55/05/381945505.db2.gz MQHLVUDGDUBDCB-UHFFFAOYSA-N -1 0 311.323 -0.239 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000380029756 381948261 /nfs/dbraw/zinc/94/82/61/381948261.db2.gz VUUJKCPANMPLMZ-RXMQYKEDSA-N -1 0 321.277 -0.760 20 0 DBADRM C/C=C\C[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000577726869 381972675 /nfs/dbraw/zinc/97/26/75/381972675.db2.gz KZTWDWLDDRGUBW-ZBJFTSOASA-N -1 0 313.397 -0.240 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000380029759 381948608 /nfs/dbraw/zinc/94/86/08/381948608.db2.gz VUUJKCPANMPLMZ-YFKPBYRVSA-N -1 0 321.277 -0.760 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CCO1 ZINC000578129751 381995915 /nfs/dbraw/zinc/99/59/15/381995915.db2.gz ABOXARPQBNPMNT-QWRGUYRKSA-N -1 0 322.383 -0.625 20 0 DBADRM CC(C)CN1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]3)CCN2C1=O ZINC000578396770 382015923 /nfs/dbraw/zinc/01/59/23/382015923.db2.gz QJXZEOOSCJRZRI-VIFPVBQESA-N -1 0 308.342 -0.272 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)NC1CC1)[C@H](O)Cc1ccccc1 ZINC000578305849 382008156 /nfs/dbraw/zinc/00/81/56/382008156.db2.gz BTZVZCUORLBWJZ-VXGBXAGGSA-N -1 0 314.363 -0.370 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)NC1CC1)[C@@H](O)Cc1ccccc1 ZINC000578305848 382009375 /nfs/dbraw/zinc/00/93/75/382009375.db2.gz BTZVZCUORLBWJZ-RYUDHWBXSA-N -1 0 314.363 -0.370 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)NCCCC(=O)[O-])C1 ZINC000577847263 381974850 /nfs/dbraw/zinc/97/48/50/381974850.db2.gz FQWUBFSBUVNSTE-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-] ZINC000578010092 381986028 /nfs/dbraw/zinc/98/60/28/381986028.db2.gz XLQXCGCYBVDHIV-MRVPVSSYSA-N -1 0 316.401 -0.950 20 0 DBADRM CC(C)NS(=O)(=O)CCCS(=O)(=O)Nc1ccnnc1 ZINC000349597576 381988938 /nfs/dbraw/zinc/98/89/38/381988938.db2.gz CFIAFQGFUJGPOA-UHFFFAOYSA-N -1 0 322.412 -0.064 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC000578070789 381989483 /nfs/dbraw/zinc/98/94/83/381989483.db2.gz JNXURMHGPRPQRV-DBIOUOCHSA-N -1 0 307.368 -0.085 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)N2CCC2)C1=O ZINC000578980504 382043290 /nfs/dbraw/zinc/04/32/90/382043290.db2.gz MXKNMLVOWMSCIZ-UWVGGRQHSA-N -1 0 319.383 -0.763 20 0 DBADRM COc1cncc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000578984611 382045211 /nfs/dbraw/zinc/04/52/11/382045211.db2.gz ITZDKRAEWMHJSJ-SNVBAGLBSA-N -1 0 316.335 -0.046 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000579005283 382046373 /nfs/dbraw/zinc/04/63/73/382046373.db2.gz UKGNEWOLILKJCR-UWVGGRQHSA-N -1 0 306.384 -0.115 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1)C(=O)NC ZINC000579122485 382049896 /nfs/dbraw/zinc/04/98/96/382049896.db2.gz RWBUZZBEXLAGOR-SNVBAGLBSA-N -1 0 307.306 -0.036 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000579474590 382069683 /nfs/dbraw/zinc/06/96/83/382069683.db2.gz FPQBUZNQOQTRFR-BBBLOLIVSA-N -1 0 306.384 -0.165 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000578650741 382027193 /nfs/dbraw/zinc/02/71/93/382027193.db2.gz HLEKOWAGWIXMLW-UHFFFAOYSA-N -1 0 305.294 -0.235 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCN2CCCC2=O)C1 ZINC000578756510 382033709 /nfs/dbraw/zinc/03/37/09/382033709.db2.gz WQRHMJKZDHSNGU-CQSZACIVSA-N -1 0 311.338 -0.952 20 0 DBADRM CCOC[C@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-] ZINC000578809622 382036462 /nfs/dbraw/zinc/03/64/62/382036462.db2.gz XVWDWPPIWNBJRA-VIFPVBQESA-N -1 0 323.367 -0.261 20 0 DBADRM O=C([O-])CCNC(=O)CNS(=O)(=O)c1ccccc1F ZINC000578868255 382038274 /nfs/dbraw/zinc/03/82/74/382038274.db2.gz WAXOAONVJFFEKH-UHFFFAOYSA-N -1 0 304.299 -0.305 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC[C@H]1O ZINC000579952642 382102066 /nfs/dbraw/zinc/10/20/66/382102066.db2.gz JARRPOUEPUXAEE-IRCOFANPSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2nccn2C)C[C@@H]1C(=O)[O-] ZINC000579953492 382102442 /nfs/dbraw/zinc/10/24/42/382102442.db2.gz JIZRTLKGCRDUJQ-ZJUUUORDSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCN2C(=O)CNC2=O)C[C@@H]1C(=O)[O-] ZINC000579948557 382102836 /nfs/dbraw/zinc/10/28/36/382102836.db2.gz LXWUYRGYYWNSRB-BDAKNGLRSA-N -1 0 312.326 -0.710 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](CO)C2)C[C@@H]1C(=O)[O-] ZINC000579957238 382103973 /nfs/dbraw/zinc/10/39/73/382103973.db2.gz GFSZNMFUMJCNOH-WOPDTQHZSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1c1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000580777371 382112507 /nfs/dbraw/zinc/11/25/07/382112507.db2.gz RJRDLDLXGOBFLE-NKWVEPMBSA-N -1 0 307.310 -0.328 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 ZINC000580835759 382115005 /nfs/dbraw/zinc/11/50/05/382115005.db2.gz NVHOKJOTRUBMGV-UHFFFAOYSA-N -1 0 307.306 -0.049 20 0 DBADRM Cn1cc(CCCNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])cn1 ZINC000581009220 382125777 /nfs/dbraw/zinc/12/57/77/382125777.db2.gz DGFNQWZGACHAJE-NSHDSACASA-N -1 0 316.383 -0.264 20 0 DBADRM C/C=C\C[C@@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000579550399 382076775 /nfs/dbraw/zinc/07/67/75/382076775.db2.gz OSHNJMCSFCSDGE-MXQLGCADSA-N -1 0 304.368 -0.052 20 0 DBADRM C[C@@H]1CC(C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000579597968 382079509 /nfs/dbraw/zinc/07/95/09/382079509.db2.gz LNXOLFLNZAEEGZ-NQMVMOMDSA-N -1 0 324.337 -0.017 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCCCC(=O)[O-] ZINC000579709019 382087134 /nfs/dbraw/zinc/08/71/34/382087134.db2.gz MJUJINZVXCIDGL-BDAKNGLRSA-N -1 0 317.342 -0.393 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)C(=O)N(C)C ZINC000579711924 382087359 /nfs/dbraw/zinc/08/73/59/382087359.db2.gz HRYMRRACQSINKG-GUBZILKMSA-N -1 0 313.354 -0.852 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)C(=O)N(C)C ZINC000579711927 382088185 /nfs/dbraw/zinc/08/81/85/382088185.db2.gz HRYMRRACQSINKG-UTLUCORTSA-N -1 0 313.354 -0.852 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCN2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC000579948560 382101628 /nfs/dbraw/zinc/10/16/28/382101628.db2.gz LXWUYRGYYWNSRB-RKDXNWHRSA-N -1 0 312.326 -0.710 20 0 DBADRM COCCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)[O-])O2 ZINC000581820347 382176386 /nfs/dbraw/zinc/17/63/86/382176386.db2.gz AREVLFWHXZBQMN-NSHDSACASA-N -1 0 301.320 -0.001 20 0 DBADRM CC(C)NC(=O)c1cnn2c1C[C@H](CN=c1nn[n-]n1C)CC2 ZINC000581880695 382178145 /nfs/dbraw/zinc/17/81/45/382178145.db2.gz GAKPIARTQYQDAV-SNVBAGLBSA-N -1 0 318.385 -0.359 20 0 DBADRM CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000581129048 382132278 /nfs/dbraw/zinc/13/22/78/382132278.db2.gz JUNLMLJIORVAAZ-QMMMGPOBSA-N -1 0 323.348 -0.215 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000581168155 382133988 /nfs/dbraw/zinc/13/39/88/382133988.db2.gz CRBWLZWXSCEKAL-GMTAPVOTSA-N -1 0 306.384 -0.127 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CC(=O)N(C)C1 ZINC000380803957 382135661 /nfs/dbraw/zinc/13/56/61/382135661.db2.gz LCLPSZVAYZLZGY-ZETCQYMHSA-N -1 0 302.308 -0.205 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@](C)(COC)C(=O)[O-])nc1C ZINC000380982171 382139921 /nfs/dbraw/zinc/13/99/21/382139921.db2.gz ASDDPFVJMJTHCF-LLVKDONJSA-N -1 0 305.356 -0.021 20 0 DBADRM COC[C@](C)(NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000381061898 382142258 /nfs/dbraw/zinc/14/22/58/382142258.db2.gz NQHCNKKZFFWROE-NGZCFLSTSA-N -1 0 310.372 -0.580 20 0 DBADRM COC[C@@](C)(O)C[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000382551322 382153151 /nfs/dbraw/zinc/15/31/51/382153151.db2.gz GAMLVAAICJBWPM-JTQLQIEISA-N -1 0 324.380 -0.395 20 0 DBADRM COCC[C@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000581548428 382157048 /nfs/dbraw/zinc/15/70/48/382157048.db2.gz HLLVVRLIQRVMCG-LLVKDONJSA-N -1 0 310.306 -0.163 20 0 DBADRM Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])C2 ZINC000581608089 382160708 /nfs/dbraw/zinc/16/07/08/382160708.db2.gz KHIUQJNMTKXWNK-NSHDSACASA-N -1 0 320.349 -0.260 20 0 DBADRM C[C@H]1CCN(C(=O)NCCN2C(=O)CCC2=O)C[C@H]1C(=O)[O-] ZINC000581605959 382160778 /nfs/dbraw/zinc/16/07/78/382160778.db2.gz JJMHRBQQRCENAV-VHSXEESVSA-N -1 0 311.338 -0.112 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000383589646 382162537 /nfs/dbraw/zinc/16/25/37/382162537.db2.gz KPKPZDPPLARIIQ-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000581619008 382162611 /nfs/dbraw/zinc/16/26/11/382162611.db2.gz VSPDTTXZKQELSZ-VLEAKVRGSA-N -1 0 307.368 -0.349 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)CCn2ncn(C)c2=O)s[n-]1 ZINC000581618054 382163034 /nfs/dbraw/zinc/16/30/34/382163034.db2.gz OQQITBCGQVWOID-ZETCQYMHSA-N -1 0 312.355 -0.409 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)N2CC[C@H]2C(=O)[O-])CC1 ZINC000384571193 382169062 /nfs/dbraw/zinc/16/90/62/382169062.db2.gz NXVVWUAYNRLLNP-JTQLQIEISA-N -1 0 320.367 -0.335 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000582006493 382210375 /nfs/dbraw/zinc/21/03/75/382210375.db2.gz LGWVUPCREYPEKN-SNVBAGLBSA-N -1 0 306.384 -0.163 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CC[C@H]1C(=O)[O-] ZINC000627279596 382215107 /nfs/dbraw/zinc/21/51/07/382215107.db2.gz PYRGJJZFCHUFDG-KQSJRHEJSA-N -1 0 310.350 -0.008 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000627280630 382215162 /nfs/dbraw/zinc/21/51/62/382215162.db2.gz LVDXPODOTRPBKU-LLVKDONJSA-N -1 0 323.353 -0.469 20 0 DBADRM CC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000627279941 382215407 /nfs/dbraw/zinc/21/54/07/382215407.db2.gz WRRCMAMVQUIVHA-MWLCHTKSSA-N -1 0 313.354 -0.660 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000627280428 382215477 /nfs/dbraw/zinc/21/54/77/382215477.db2.gz HWFVFNAWVHBHFZ-VHSXEESVSA-N -1 0 323.353 -0.517 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000627280440 382215899 /nfs/dbraw/zinc/21/58/99/382215899.db2.gz IAUAORSMYCLIBA-SNVBAGLBSA-N -1 0 323.353 -0.373 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CCC2)C1=O)C(=O)[O-] ZINC000627279073 382215973 /nfs/dbraw/zinc/21/59/73/382215973.db2.gz GGTJCKFTAHRIGO-SCZZXKLOSA-N -1 0 311.338 -0.907 20 0 DBADRM COC[C@@H]1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000081043558 382286545 /nfs/dbraw/zinc/28/65/45/382286545.db2.gz DEHLOLLCQUDHFO-SECBINFHSA-N -1 0 303.340 -0.375 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC23CC3)CCO1 ZINC000627284765 382246058 /nfs/dbraw/zinc/24/60/58/382246058.db2.gz IXRATCOCCQSSOP-WDEREUQCSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000627283475 382246168 /nfs/dbraw/zinc/24/61/68/382246168.db2.gz DEADLUIXXLHEEZ-NEPJUHHUSA-N -1 0 310.350 -0.007 20 0 DBADRM CCN1CCN(CC(=O)[N-]OCc2ccccc2)C(=O)C1=O ZINC000045062219 382256872 /nfs/dbraw/zinc/25/68/72/382256872.db2.gz HGOBHPPEYHEQJD-UHFFFAOYSA-N -1 0 305.334 -0.075 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)cc1C(N)=O ZINC000089712843 382333578 /nfs/dbraw/zinc/33/35/78/382333578.db2.gz KQYFBJJXXCKYTR-MRVPVSSYSA-N -1 0 315.351 -0.391 20 0 DBADRM O=C(CN1CSCC1=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000618488526 382361262 /nfs/dbraw/zinc/36/12/62/382361262.db2.gz WUIYLOPTOJVONE-GFCCVEGCSA-N -1 0 318.362 -0.062 20 0 DBADRM Cn1nccc1[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000402545971 382397157 /nfs/dbraw/zinc/39/71/57/382397157.db2.gz HYJBBZVLXVMHQT-JTQLQIEISA-N -1 0 308.254 -0.533 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC[C@@H]2C(=O)[O-])C1 ZINC000400144638 382389626 /nfs/dbraw/zinc/38/96/26/382389626.db2.gz YLTONLDDVPTYAQ-NXEZZACHSA-N -1 0 319.383 -0.331 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400174508 382390303 /nfs/dbraw/zinc/39/03/03/382390303.db2.gz CSAJRXTXGSFGHJ-VIFPVBQESA-N -1 0 307.372 -0.475 20 0 DBADRM C[C@](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)(C(=O)[O-])C1CC1 ZINC000400288374 382392008 /nfs/dbraw/zinc/39/20/08/382392008.db2.gz KKGCJQUIKWGTNE-BXKDBHETSA-N -1 0 319.383 -0.427 20 0 DBADRM O=C(NCCCn1cncn1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000620187830 382441670 /nfs/dbraw/zinc/44/16/70/382441670.db2.gz DRBWKZOKDRPKAG-UHFFFAOYSA-N -1 0 315.293 -0.152 20 0 DBADRM CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000620414371 382446929 /nfs/dbraw/zinc/44/69/29/382446929.db2.gz MKDYTENIOPLWGW-JTQLQIEISA-N -1 0 322.365 -0.137 20 0 DBADRM COCCn1ccc(=NC(=O)N=c2ccc(C(=O)OC)n[n-]2)[nH]1 ZINC000619631271 382415186 /nfs/dbraw/zinc/41/51/86/382415186.db2.gz JXPWKUHPAVVRFA-UHFFFAOYSA-N -1 0 320.309 -0.406 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000621602407 382492789 /nfs/dbraw/zinc/49/27/89/382492789.db2.gz RNPUGQLQNMMXEO-BDAKNGLRSA-N -1 0 307.393 -0.303 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC000621607157 382493091 /nfs/dbraw/zinc/49/30/91/382493091.db2.gz NNPGBJPLIIYPLI-BDAKNGLRSA-N -1 0 307.393 -0.160 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)CC1=O ZINC000311478467 382494161 /nfs/dbraw/zinc/49/41/61/382494161.db2.gz AKBHJFTXZCVNJO-ZETCQYMHSA-N -1 0 304.349 -0.045 20 0 DBADRM NS(=O)(=O)CCCNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000621538881 382489654 /nfs/dbraw/zinc/48/96/54/382489654.db2.gz VXMCKDNCNPXENL-UHFFFAOYSA-N -1 0 316.335 -0.442 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NCC2(C(=O)[O-])CC2)cs1 ZINC000621571991 382490816 /nfs/dbraw/zinc/49/08/16/382490816.db2.gz WGZGMDOEKXHFIF-UHFFFAOYSA-N -1 0 304.349 -0.010 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)NCC2(C(=O)[O-])CC2)s1 ZINC000621571659 382491803 /nfs/dbraw/zinc/49/18/03/382491803.db2.gz ITRAKDYAWUTZIM-UHFFFAOYSA-N -1 0 318.376 -0.081 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])S1(=O)=O ZINC000621600212 382492056 /nfs/dbraw/zinc/49/20/56/382492056.db2.gz YSHZGZPECNQWNM-AEJSXWLSSA-N -1 0 304.368 -0.220 20 0 DBADRM CC1(C)CN(CCNC(=O)c2c[n-]n3c2nccc3=O)CCO1 ZINC000621822369 382511423 /nfs/dbraw/zinc/51/14/23/382511423.db2.gz WZBLZOFWMXWMBF-UHFFFAOYSA-N -1 0 319.365 -0.137 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)N3CC(C(=O)[O-])C3)C2=O)n(C)n1 ZINC000621831171 382511520 /nfs/dbraw/zinc/51/15/20/382511520.db2.gz RZTMCNLSOPXUEC-SNVBAGLBSA-N -1 0 321.337 -0.440 20 0 DBADRM CN(CC(=O)[O-])C(=O)NCc1ccccc1S(N)(=O)=O ZINC000621835008 382512107 /nfs/dbraw/zinc/51/21/07/382512107.db2.gz GAFXWJZRDUWMNF-UHFFFAOYSA-N -1 0 301.324 -0.440 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](CO)C1)C(=O)[O-] ZINC000621835521 382512324 /nfs/dbraw/zinc/51/23/24/382512324.db2.gz CHFKLHAMIWMMJN-WOPDTQHZSA-N -1 0 314.382 -0.064 20 0 DBADRM Cc1ccc(C(=O)NCCNC(=O)c2n[nH]c(=O)[n-]2)cc1F ZINC000080329929 382553325 /nfs/dbraw/zinc/55/33/25/382553325.db2.gz PXOUMCQUZWLZJC-UHFFFAOYSA-N -1 0 307.285 -0.295 20 0 DBADRM COCC1(O)CN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C1 ZINC000622641466 382573274 /nfs/dbraw/zinc/57/32/74/382573274.db2.gz YGQDGMDOQLEXAE-UHFFFAOYSA-N -1 0 314.363 -0.109 20 0 DBADRM Cn1nccc1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000329630337 382590285 /nfs/dbraw/zinc/59/02/85/382590285.db2.gz WFBLOABPPVDPSO-MRVPVSSYSA-N -1 0 312.355 -0.188 20 0 DBADRM CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(N)=O ZINC000627436291 382626551 /nfs/dbraw/zinc/62/65/51/382626551.db2.gz QGVQUCOGUAKPNJ-MRVPVSSYSA-N -1 0 300.340 -0.553 20 0 DBADRM O=C(CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCCO1 ZINC000627880189 382644195 /nfs/dbraw/zinc/64/41/95/382644195.db2.gz WTWYDXOYRIKZDR-UHFFFAOYSA-N -1 0 319.277 -0.670 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000627972447 382645620 /nfs/dbraw/zinc/64/56/20/382645620.db2.gz OTHIRPROPHYYAG-QMMMGPOBSA-N -1 0 312.351 -0.287 20 0 DBADRM Cn1cnnc1S(=O)(=O)NCCc1cn2c(n1)CCCC2 ZINC000631720667 382650274 /nfs/dbraw/zinc/65/02/74/382650274.db2.gz HENDKKCAOKTZIQ-UHFFFAOYSA-N -1 0 310.383 -0.131 20 0 DBADRM CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ncc[n-]1 ZINC000631881890 382652913 /nfs/dbraw/zinc/65/29/13/382652913.db2.gz LMCLOGRQFAVMCZ-MRVPVSSYSA-N -1 0 304.397 -0.048 20 0 DBADRM Cn1cc(CN2CCN(S(=O)(=O)c3ncc[n-]3)CC2)cn1 ZINC000631908083 382653637 /nfs/dbraw/zinc/65/36/37/382653637.db2.gz BEMNMBYDJJSVHB-UHFFFAOYSA-N -1 0 310.383 -0.350 20 0 DBADRM CO[C@@H]1CCC[C@H]1S(=O)(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000632189001 382663426 /nfs/dbraw/zinc/66/34/26/382663426.db2.gz WSFWIKSFDAGYAN-IVZWLZJFSA-N -1 0 317.367 -0.880 20 0 DBADRM O=C(CNS(=O)(=O)C[C@@H]1CCC1(F)F)N1CCOCC1 ZINC000632184480 382663435 /nfs/dbraw/zinc/66/34/35/382663435.db2.gz HUDKJSAIZRSHDP-VIFPVBQESA-N -1 0 312.338 -0.190 20 0 DBADRM CC(C)C1(S(=O)(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000632188280 382663478 /nfs/dbraw/zinc/66/34/78/382663478.db2.gz NZWPVNKHFBWGGA-VIFPVBQESA-N -1 0 301.368 -0.259 20 0 DBADRM O=S(=O)(c1cc([O-])cc(F)c1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000632512257 382672386 /nfs/dbraw/zinc/67/23/86/382672386.db2.gz KCTCTTLCYBBWGD-LLVKDONJSA-N -1 0 316.354 -0.029 20 0 DBADRM O=C(CCc1nnn[n-]1)NC[C@H](N1CCOCC1)C(F)(F)F ZINC000633051322 382680352 /nfs/dbraw/zinc/68/03/52/382680352.db2.gz PADQSDJQXPMIBS-QMMMGPOBSA-N -1 0 322.291 -0.488 20 0 DBADRM C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000633063182 382680736 /nfs/dbraw/zinc/68/07/36/382680736.db2.gz FZQJGXMKZWHMJL-WOPDTQHZSA-N -1 0 312.366 -0.071 20 0 DBADRM COCCOCCN(C)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000633072481 382680854 /nfs/dbraw/zinc/68/08/54/382680854.db2.gz MAQZUESKSCCACA-NSHDSACASA-N -1 0 316.354 -0.569 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](CCO)C2)C1 ZINC000633072191 382680874 /nfs/dbraw/zinc/68/08/74/382680874.db2.gz JGVJBSODBNEYJB-NEPJUHHUSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@](F)(CO)C2)C1 ZINC000633068410 382680882 /nfs/dbraw/zinc/68/08/82/382680882.db2.gz KYEVZEKQVMHFOB-TVQRCGJNSA-N -1 0 302.302 -0.758 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3COC[C@H]3C2)C1 ZINC000633069500 382680936 /nfs/dbraw/zinc/68/09/36/382680936.db2.gz NWIYMKAEDSFMFR-SDDRHHMPSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](CCCO)C2)C1 ZINC000633068292 382680947 /nfs/dbraw/zinc/68/09/47/382680947.db2.gz HXMMUQGLKHUSTH-NEPJUHHUSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](CCCO)C2)C1 ZINC000633068293 382680959 /nfs/dbraw/zinc/68/09/59/382680959.db2.gz HXMMUQGLKHUSTH-RYUDHWBXSA-N -1 0 312.366 -0.069 20 0 DBADRM C[C@@]12COC[C@@H]1CN(C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)C2 ZINC000633069948 382680972 /nfs/dbraw/zinc/68/09/72/382680972.db2.gz SHOOPXKPOJACRJ-ZIBATOQPSA-N -1 0 310.350 -0.196 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](F)C2)C1 ZINC000633073614 382681092 /nfs/dbraw/zinc/68/10/92/382681092.db2.gz WOPBHMKGAHGOQA-RNCFNFMXSA-N -1 0 302.302 -0.494 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)C[C@H](C)OC)C1 ZINC000633073667 382681173 /nfs/dbraw/zinc/68/11/73/382681173.db2.gz XIWWDPDLYXJIQL-HZMBPMFUSA-N -1 0 316.354 -0.571 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N=c2nc(C)[n-]s2)CC1 ZINC000353383790 220522440 /nfs/dbraw/zinc/52/24/40/220522440.db2.gz CSWUZOGIEISDOV-UHFFFAOYSA-N -1 0 319.412 -0.617 20 0 DBADRM COCCO[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000496044470 533147315 /nfs/dbraw/zinc/14/73/15/533147315.db2.gz QLUCIUHZAIVGNJ-UHFFFAOYSA-N -1 0 305.331 -0.679 20 0 DBADRM C[C@](O)(CO)CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000355288740 220603785 /nfs/dbraw/zinc/60/37/85/220603785.db2.gz JNNBBDMSULXEHA-GFCCVEGCSA-N -1 0 302.352 -0.469 20 0 DBADRM CN(C[C@@H](O)CO)C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000355616445 220625939 /nfs/dbraw/zinc/62/59/39/220625939.db2.gz HMPCSHLZBBOZFH-SECBINFHSA-N -1 0 320.342 -0.378 20 0 DBADRM COC(=O)[C@H]1CNC(=O)CN1Cc1nc(=O)c2sccc2[n-]1 ZINC000447909345 291909341 /nfs/dbraw/zinc/90/93/41/291909341.db2.gz BMIWAYBYTOHQKV-MRVPVSSYSA-N -1 0 322.346 -0.130 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)[C@@H](C)n2cncn2)C1=O ZINC000358709191 220780122 /nfs/dbraw/zinc/78/01/22/220780122.db2.gz DVPRXPXEXXZXTG-OUAUKWLOSA-N -1 0 323.353 -0.335 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2csnn2)C1=O ZINC000358723403 220781412 /nfs/dbraw/zinc/78/14/12/220781412.db2.gz ZEGUKADZIIGRGG-VXNVDRBHSA-N -1 0 312.351 -0.022 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N(C)CC(=O)[O-] ZINC000362396587 220805388 /nfs/dbraw/zinc/80/53/88/220805388.db2.gz OQHHTFCCPZKGKE-SECBINFHSA-N -1 0 300.336 -0.104 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 ZINC000367132052 220861148 /nfs/dbraw/zinc/86/11/48/220861148.db2.gz XNNITSGJVOQLIP-UHFFFAOYSA-N -1 0 316.379 -0.076 20 0 DBADRM COC(=O)[C@]1(C)CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC000282262019 291980833 /nfs/dbraw/zinc/98/08/33/291980833.db2.gz WQMREIHNYPHZSQ-XLKFXECMSA-N -1 0 309.322 -0.243 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)NCC(=O)NCC2CC2)c1 ZINC000272203821 130007418 /nfs/dbraw/zinc/00/74/18/130007418.db2.gz YVJQNBCPTIOZIZ-UHFFFAOYSA-N -1 0 316.335 -0.129 20 0 DBADRM Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)[N-]OCC(N)=O ZINC000272225553 130008924 /nfs/dbraw/zinc/00/89/24/130008924.db2.gz LDNXJUZKJSDMPY-NSHDSACASA-N -1 0 322.300 -0.562 20 0 DBADRM CCCC[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000273190947 130096081 /nfs/dbraw/zinc/09/60/81/130096081.db2.gz NLPNNCQLXNGLMY-AEZGRPFRSA-N -1 0 323.349 -0.143 20 0 DBADRM C[C@@H](Cn1cncn1)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000273620926 130144942 /nfs/dbraw/zinc/14/49/42/130144942.db2.gz AQZDZBJYBZHTKQ-QMMMGPOBSA-N -1 0 313.339 -0.318 20 0 DBADRM NC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CCO1 ZINC000273717932 130157287 /nfs/dbraw/zinc/15/72/87/130157287.db2.gz QAYZIKRGOIAKLV-ZETCQYMHSA-N -1 0 320.348 -0.679 20 0 DBADRM Cc1cc(F)c(S(=O)(=O)N(C)CC(N)=O)cc1C(=O)[O-] ZINC000273774946 130165477 /nfs/dbraw/zinc/16/54/77/130165477.db2.gz YDHQWDIVBKUUBE-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM NC(=O)[C@@H]1CN(S(=O)(=O)c2csc(C(=O)[O-])c2)CCO1 ZINC000273785973 130166258 /nfs/dbraw/zinc/16/62/58/130166258.db2.gz ZQEOSOLAZNRTTN-ZETCQYMHSA-N -1 0 320.348 -0.679 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)N1C[C@@H](O)C[C@H]1CO ZINC000274822143 130265875 /nfs/dbraw/zinc/26/58/75/130265875.db2.gz PQHOCRKEZTYEKK-WDSKDSINSA-N -1 0 307.422 -0.127 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(C)c1 ZINC000274873031 130268476 /nfs/dbraw/zinc/26/84/76/130268476.db2.gz BEVRLHZHVGGOJC-SECBINFHSA-N -1 0 317.319 -0.495 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000274868367 130269234 /nfs/dbraw/zinc/26/92/34/130269234.db2.gz ACCLTKZKJRNJGX-ZETCQYMHSA-N -1 0 316.291 -0.978 20 0 DBADRM CC[C@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000274890790 130270719 /nfs/dbraw/zinc/27/07/19/130270719.db2.gz FVZRGVUMJOZFCB-JTQLQIEISA-N -1 0 311.323 -0.196 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])oc1C ZINC000274899505 130271270 /nfs/dbraw/zinc/27/12/70/130271270.db2.gz HVNUAWCMVOOPPY-ZETCQYMHSA-N -1 0 307.280 -0.902 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000274927007 130274665 /nfs/dbraw/zinc/27/46/65/130274665.db2.gz ZDZGMPJOAFOODM-MWLCHTKSSA-N -1 0 306.347 -0.035 20 0 DBADRM COCc1cccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC000274921786 130275207 /nfs/dbraw/zinc/27/52/07/130275207.db2.gz NCULPCLOMXKNOS-NSHDSACASA-N -1 0 303.336 -0.053 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000274929188 130275546 /nfs/dbraw/zinc/27/55/46/130275546.db2.gz OMKOQTNMIUTBNS-UHFFFAOYSA-N -1 0 321.742 -0.645 20 0 DBADRM CCOc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cn1 ZINC000274961016 130276690 /nfs/dbraw/zinc/27/66/90/130276690.db2.gz VAXCAFSOONHKFI-QMMMGPOBSA-N -1 0 317.323 -0.913 20 0 DBADRM CCc1ccc(CS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1 ZINC000274977755 130278724 /nfs/dbraw/zinc/27/87/24/130278724.db2.gz XJNYARRNHRYHLC-LLVKDONJSA-N -1 0 314.363 -0.003 20 0 DBADRM COCc1cccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000274975901 130278852 /nfs/dbraw/zinc/27/88/52/130278852.db2.gz XAEVFLROZOMPLK-JTQLQIEISA-N -1 0 316.335 -0.560 20 0 DBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000274989587 130280327 /nfs/dbraw/zinc/28/03/27/130280327.db2.gz YXGPZSBFAUPFOV-QMMMGPOBSA-N -1 0 303.292 -0.471 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])s1 ZINC000274997984 130280472 /nfs/dbraw/zinc/28/04/72/130280472.db2.gz AHQSSYVDDHMLIX-LURJTMIESA-N -1 0 323.348 -0.351 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC000275003640 130282971 /nfs/dbraw/zinc/28/29/71/130282971.db2.gz AXWQMIXRFCTUAQ-LURJTMIESA-N -1 0 309.731 -0.569 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2cccnc2)C1 ZINC000275030271 130284817 /nfs/dbraw/zinc/28/48/17/130284817.db2.gz UAPGMBAEYLPEFV-SECBINFHSA-N -1 0 313.335 -0.707 20 0 DBADRM CCN(C)S(=O)(=O)N[C@H](C(=O)[O-])c1c(C)nn(C)c1C ZINC000275052216 130287369 /nfs/dbraw/zinc/28/73/69/130287369.db2.gz ILGVANQCPYTJBR-JTQLQIEISA-N -1 0 304.372 -0.051 20 0 DBADRM CCC(=O)C[C@@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000275075572 130290123 /nfs/dbraw/zinc/29/01/23/130290123.db2.gz XNQAMSURJGLMOI-SECBINFHSA-N -1 0 303.340 -0.171 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000275103580 130291534 /nfs/dbraw/zinc/29/15/34/130291534.db2.gz JFMZJTCSONUJFP-SECBINFHSA-N -1 0 320.378 -0.020 20 0 DBADRM COC(=O)[C@H](NC(=O)CNC(=O)c1cccc(O)c1)[C@H](C)O ZINC000275120557 130293320 /nfs/dbraw/zinc/29/33/20/130293320.db2.gz KNUAKVFLFHQVFQ-QPUJVOFHSA-N -1 0 310.306 -0.839 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])o1 ZINC000275157557 130294940 /nfs/dbraw/zinc/29/49/40/130294940.db2.gz ZONZIZKKIGXFJP-LURJTMIESA-N -1 0 307.280 -0.820 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cs1 ZINC000275152455 130295347 /nfs/dbraw/zinc/29/53/47/130295347.db2.gz YWBXNTNKFZJFKO-ZETCQYMHSA-N -1 0 323.348 -0.351 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1C ZINC000275167519 130296430 /nfs/dbraw/zinc/29/64/30/130296430.db2.gz BLVKCSLDGBUYBM-VIFPVBQESA-N -1 0 317.319 -0.495 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])cn1 ZINC000275238591 130299272 /nfs/dbraw/zinc/29/92/72/130299272.db2.gz KBOJAGAXXIHXMS-QMMMGPOBSA-N -1 0 305.312 -0.802 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])o1 ZINC000275340903 130306247 /nfs/dbraw/zinc/30/62/47/130306247.db2.gz RPTITOVPFAKNER-RQJHMYQMSA-N -1 0 319.291 -0.725 20 0 DBADRM CCOCCS(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275351290 130307577 /nfs/dbraw/zinc/30/75/77/130307577.db2.gz WIGLXWNHOYAMBV-JTQLQIEISA-N -1 0 305.356 -0.628 20 0 DBADRM Cc1nn(C)c2ncc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc12 ZINC000275348466 130308070 /nfs/dbraw/zinc/30/80/70/130308070.db2.gz WAQLJNWCVKYRBV-SECBINFHSA-N -1 0 314.323 -0.999 20 0 DBADRM CCCN(C(=O)C(=O)N=c1nc(C)n(C)[n-]1)[C@H]1CCN(C)C1 ZINC000646763921 391936584 /nfs/dbraw/zinc/93/65/84/391936584.db2.gz LCFPFOUJIHPLKK-NSHDSACASA-N -1 0 308.386 -0.573 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)c2ccc3[nH][nH]c(=O)c3c2)CC1 ZINC000646771649 391937293 /nfs/dbraw/zinc/93/72/93/391937293.db2.gz ZEBQSAFJYOYOBX-UHFFFAOYSA-N -1 0 324.362 -0.014 20 0 DBADRM O=C(CNS(=O)(=O)c1cccs1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000646655353 391923960 /nfs/dbraw/zinc/92/39/60/391923960.db2.gz ONCKTJVHTNJKNJ-MYJAWHEDSA-N -1 0 316.404 -0.277 20 0 DBADRM CS(=O)(=O)NCCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000646799113 391939891 /nfs/dbraw/zinc/93/98/91/391939891.db2.gz FWRDFEVNTBTANF-UHFFFAOYSA-N -1 0 300.296 -0.793 20 0 DBADRM CCC[C@@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)c1nnn[n-]1 ZINC000648815422 391984011 /nfs/dbraw/zinc/98/40/11/391984011.db2.gz QFVPDNMILODDTF-HTQZYQBOSA-N -1 0 302.360 -0.809 20 0 DBADRM Cn1nnc(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1 ZINC000398051534 391999915 /nfs/dbraw/zinc/99/99/15/391999915.db2.gz DORBHHKYRDZPNP-UHFFFAOYSA-N -1 0 315.286 -0.474 20 0 DBADRM C[C@]1(O)CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C1 ZINC000235777231 391972727 /nfs/dbraw/zinc/97/27/27/391972727.db2.gz PHSJHDWKGZZJQH-LBPRGKRZSA-N -1 0 300.336 -0.007 20 0 DBADRM O=C([O-])C(=O)N1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000649452115 392073117 /nfs/dbraw/zinc/07/31/17/392073117.db2.gz PRURDNRHCMYGNY-MRVPVSSYSA-N -1 0 323.271 -0.622 20 0 DBADRM NC(=O)NC[C@H]1CCCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC000649459230 392073303 /nfs/dbraw/zinc/07/33/03/392073303.db2.gz SINKEWFJNBVTPH-MRVPVSSYSA-N -1 0 307.310 -0.162 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@@H](C(=O)[O-])C(C)C)CCN2C1=O ZINC000649458545 392073965 /nfs/dbraw/zinc/07/39/65/392073965.db2.gz TWNIOLHHFKDZSR-UWVGGRQHSA-N -1 0 311.338 -0.162 20 0 DBADRM Cn1cc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2=O)cn1 ZINC000649465341 392075099 /nfs/dbraw/zinc/07/50/99/392075099.db2.gz ZRQXWJDJVVEERA-MXWKQRLJSA-N -1 0 306.322 -0.248 20 0 DBADRM CC(C)(CNC(=O)N[C@@H](CCF)C(=O)[O-])NS(C)(=O)=O ZINC000649525048 392086616 /nfs/dbraw/zinc/08/66/16/392086616.db2.gz ALIZPGFVEOHREM-ZETCQYMHSA-N -1 0 313.351 -0.574 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N[C@H](CCF)C(=O)[O-])CC1 ZINC000649526077 392086638 /nfs/dbraw/zinc/08/66/38/392086638.db2.gz AVCYZPZQPRNSOZ-MRVPVSSYSA-N -1 0 310.347 -0.077 20 0 DBADRM CN1CC[C@H](C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)S1(=O)=O ZINC000649240191 392022692 /nfs/dbraw/zinc/02/26/92/392022692.db2.gz QAVIZBSQESGXFN-NXEZZACHSA-N -1 0 316.379 -0.266 20 0 DBADRM CN1CC[C@H](C(=O)N[C@]2(C(=O)[O-])CCSC2)S1(=O)=O ZINC000649246117 392022829 /nfs/dbraw/zinc/02/28/29/392022829.db2.gz OHTSODYIAPZGJL-GMSGAONNSA-N -1 0 308.381 -0.903 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000649249218 392022948 /nfs/dbraw/zinc/02/29/48/392022948.db2.gz XZCLROQOIVENFH-JTQLQIEISA-N -1 0 308.338 -0.063 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000649243778 392023021 /nfs/dbraw/zinc/02/30/21/392023021.db2.gz SPTKRMAUNOCNBM-UHFFFAOYSA-N -1 0 319.339 -0.679 20 0 DBADRM CN1CC[C@@H](C(=O)NC2(CC(=O)[O-])CCCC2)S1(=O)=O ZINC000649250103 392023127 /nfs/dbraw/zinc/02/31/27/392023127.db2.gz DDXJSVVYHFYDTM-VIFPVBQESA-N -1 0 304.368 -0.076 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC000649241984 392023209 /nfs/dbraw/zinc/02/32/09/392023209.db2.gz LLAKXAHSTUECJS-UHFFFAOYSA-N -1 0 313.354 -0.707 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])S1(=O)=O ZINC000649249854 392023370 /nfs/dbraw/zinc/02/33/70/392023370.db2.gz SBAZGNVAIZUEIB-PHDIDXHHSA-N -1 0 318.273 -0.458 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)S1(=O)=O ZINC000649248209 392023516 /nfs/dbraw/zinc/02/35/16/392023516.db2.gz LMRMAUVYYLCVHO-BBBLOLIVSA-N -1 0 320.367 -0.984 20 0 DBADRM CN1CC[C@H](C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)S1(=O)=O ZINC000649251727 392025108 /nfs/dbraw/zinc/02/51/08/392025108.db2.gz PVWLCOALHVQJIC-BXKDBHETSA-N -1 0 304.368 -0.266 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1 ZINC000278187206 130669958 /nfs/dbraw/zinc/66/99/58/130669958.db2.gz FUZONGRFPWBYOB-UHFFFAOYSA-N -1 0 321.742 -0.396 20 0 DBADRM CC(C)Oc1ccc(=NC(=O)N=c2ccn(CCO)[nH]2)[n-]n1 ZINC000551950920 392053977 /nfs/dbraw/zinc/05/39/77/392053977.db2.gz WHLGAWXKWHLXEA-UHFFFAOYSA-N -1 0 306.326 -0.060 20 0 DBADRM CS(=O)(=O)NC1CCN(c2ncncc2C(=O)[O-])CC1 ZINC000649383972 392061242 /nfs/dbraw/zinc/06/12/42/392061242.db2.gz NLXLVJUGZMRKBH-UHFFFAOYSA-N -1 0 300.340 -0.307 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC000649384823 392061372 /nfs/dbraw/zinc/06/13/72/392061372.db2.gz PLPMLMGHNLEMOE-UHFFFAOYSA-N -1 0 315.355 -0.897 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNc2cncc(C(=O)[O-])n2)C1 ZINC000649397104 392063230 /nfs/dbraw/zinc/06/32/30/392063230.db2.gz FXWFTTKPAVEYPJ-QMMMGPOBSA-N -1 0 300.340 -0.132 20 0 DBADRM COCC[C@@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-] ZINC000554433557 392092848 /nfs/dbraw/zinc/09/28/48/392092848.db2.gz DSDFEBZOPQHHIZ-MRVPVSSYSA-N -1 0 311.356 -0.405 20 0 DBADRM CC(=O)NCCN(C(=O)c1n[nH]c2c1CCC2)[C@@H](C)C(=O)[O-] ZINC000554613515 392098476 /nfs/dbraw/zinc/09/84/76/392098476.db2.gz CQHFYBRBQNNOTP-QMMMGPOBSA-N -1 0 308.338 -0.050 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)CN2CCOCC2=O)s[n-]1 ZINC000554720591 392099283 /nfs/dbraw/zinc/09/92/83/392099283.db2.gz NEBUDUXAUXKJPJ-SSDOTTSWSA-N -1 0 300.340 -0.535 20 0 DBADRM Cc1nc(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)c[nH]1 ZINC000263862593 392119751 /nfs/dbraw/zinc/11/97/51/392119751.db2.gz YFEIULYIKFXINA-UHFFFAOYSA-N -1 0 324.366 -0.006 20 0 DBADRM O=C(CN1Cc2ccccc2C1=O)NCCc1nc(=O)o[n-]1 ZINC000280127548 130784229 /nfs/dbraw/zinc/78/42/29/130784229.db2.gz OWJSKPSLAYOAKO-UHFFFAOYSA-N -1 0 302.290 -0.322 20 0 DBADRM CCNC(=O)NC1(C(=O)NCCc2nc(=O)o[n-]2)CCCC1 ZINC000280134730 130785635 /nfs/dbraw/zinc/78/56/35/130785635.db2.gz PPTINVKILOAYQO-UHFFFAOYSA-N -1 0 311.342 -0.347 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)[N-]OC[C@H]2CCOC2)c(=O)c1 ZINC000280354696 130797730 /nfs/dbraw/zinc/79/77/30/130797730.db2.gz CAPAWIOGDVSTSV-SWLSCSKDSA-N -1 0 310.350 -0.008 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)c2cnn3c2OCCC3)CCOC1 ZINC000583932959 392352600 /nfs/dbraw/zinc/35/26/00/392352600.db2.gz RTVSFVGARGIRIA-NSHDSACASA-N -1 0 317.323 -0.812 20 0 DBADRM O=C(CNC(=O)C1(C(=O)[O-])CCOCC1)NCc1ccco1 ZINC000583937061 392352853 /nfs/dbraw/zinc/35/28/53/392352853.db2.gz XVQHKJFHPTVHFK-UHFFFAOYSA-N -1 0 310.306 -0.107 20 0 DBADRM COc1ccc(C)cc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000035097628 392350992 /nfs/dbraw/zinc/35/09/92/392350992.db2.gz IOQYVVDMMGRIJM-UHFFFAOYSA-N -1 0 316.335 -0.517 20 0 DBADRM CCCN(C(=O)c1cnc([O-])n(C)c1=O)[C@H]1CC(=O)N(C)C1=O ZINC000283701812 131014669 /nfs/dbraw/zinc/01/46/69/131014669.db2.gz YLCOFJXKPKTBGE-VIFPVBQESA-N -1 0 322.321 -0.905 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CC1 ZINC000370423341 392364875 /nfs/dbraw/zinc/36/48/75/392364875.db2.gz UONCZPCNRZQYRC-IUCAKERBSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1 ZINC000370423342 392364373 /nfs/dbraw/zinc/36/43/73/392364373.db2.gz UONCZPCNRZQYRC-RKDXNWHRSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)CC(=O)N2CCCCC2)[n-]1 ZINC000285057512 131134166 /nfs/dbraw/zinc/13/41/66/131134166.db2.gz IDXYDEGXBBORQO-UHFFFAOYSA-N -1 0 315.351 -0.018 20 0 DBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1c(C)cnn1C ZINC000285127313 131140229 /nfs/dbraw/zinc/14/02/29/131140229.db2.gz NMBAFBDAXNIEHA-VIFPVBQESA-N -1 0 305.356 -0.161 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](C)CC(=O)[O-])CC1 ZINC000037465486 392375972 /nfs/dbraw/zinc/37/59/72/392375972.db2.gz IIOPNJFOOBAFAH-VIFPVBQESA-N -1 0 322.383 -0.041 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)CC(=O)NC(C)(C)C)[n-]1 ZINC000285222871 131148632 /nfs/dbraw/zinc/14/86/32/131148632.db2.gz XBRLBPMJZJPLRZ-UHFFFAOYSA-N -1 0 303.340 -0.115 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1 ZINC000037465288 392376055 /nfs/dbraw/zinc/37/60/55/392376055.db2.gz QNLZQVAPKPOJRM-SNVBAGLBSA-N -1 0 320.367 -0.335 20 0 DBADRM NS(=O)(=O)c1cccc(S(=O)(=O)NCCCC(=O)[O-])c1 ZINC000036968581 392368781 /nfs/dbraw/zinc/36/87/81/392368781.db2.gz APENAMSZKYBMLC-UHFFFAOYSA-N -1 0 322.364 -0.523 20 0 DBADRM CN(C)C(=O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000037251058 392371606 /nfs/dbraw/zinc/37/16/06/392371606.db2.gz BJMXGYZNEIAEMX-UHFFFAOYSA-N -1 0 303.340 -0.568 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000037418339 392373249 /nfs/dbraw/zinc/37/32/49/392373249.db2.gz FHVUVPVLYDGVEB-SECBINFHSA-N -1 0 303.340 -0.489 20 0 DBADRM C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc21 ZINC000037413404 392373632 /nfs/dbraw/zinc/37/36/32/392373632.db2.gz CBVJPRFZGGJZHP-QUBYGPBYSA-N -1 0 314.319 -0.534 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NCCCC(=O)[O-])cn1C ZINC000037418967 392373729 /nfs/dbraw/zinc/37/37/29/392373729.db2.gz DDJXKSBISURWMD-UHFFFAOYSA-N -1 0 303.340 -0.472 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C)CC(=O)[O-])cn1C ZINC000037419016 392373949 /nfs/dbraw/zinc/37/39/49/392373949.db2.gz DLHVNGTUQRPSKT-SSDOTTSWSA-N -1 0 303.340 -0.474 20 0 DBADRM COC(=O)c1cccc(CS(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000037465364 392375083 /nfs/dbraw/zinc/37/50/83/392375083.db2.gz XJTTVZZOWNLLNO-SNVBAGLBSA-N -1 0 317.319 -0.662 20 0 DBADRM CC[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H](C)[S@]1=O ZINC000286425396 131235818 /nfs/dbraw/zinc/23/58/18/131235818.db2.gz BKZYGECLXHUAJT-PNOQFWAASA-N -1 0 318.424 -0.052 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCc1cnc(N(C)C)n1C ZINC000286801688 131250266 /nfs/dbraw/zinc/25/02/66/131250266.db2.gz KEIJOFXJFSWOKG-UHFFFAOYSA-N -1 0 315.399 -0.487 20 0 DBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2c(C)n[nH]c2C)cn1 ZINC000037791405 392376637 /nfs/dbraw/zinc/37/66/37/392376637.db2.gz SYKNLUFYRXNHRD-UHFFFAOYSA-N -1 0 312.355 -0.230 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000037792612 392377915 /nfs/dbraw/zinc/37/79/15/392377915.db2.gz NOLRYEQECBPYTR-NXEZZACHSA-N -1 0 304.368 -0.363 20 0 DBADRM Cc1oc(C)c(S(=O)(=O)NCc2nnn(C)n2)c1C(=O)[O-] ZINC000398117300 392379986 /nfs/dbraw/zinc/37/99/86/392379986.db2.gz ZQJBPPOAAGAHQJ-UHFFFAOYSA-N -1 0 315.311 -0.403 20 0 DBADRM COC(=O)COCC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000288209108 131316134 /nfs/dbraw/zinc/31/61/34/131316134.db2.gz TUOVIASATYCFMK-UHFFFAOYSA-N -1 0 307.266 -0.916 20 0 DBADRM C[C@H]1SCC[C@@H]1NC(=O)C(=O)N=c1nc2n([n-]1)CCCC2 ZINC000646942494 392388293 /nfs/dbraw/zinc/38/82/93/392388293.db2.gz NTAAWNCJDJRPQJ-BDAKNGLRSA-N -1 0 309.395 -0.015 20 0 DBADRM C[C@H]1SCC[C@H]1NC(=O)C(=O)N=c1nc2n([n-]1)CCCC2 ZINC000646942497 392388358 /nfs/dbraw/zinc/38/83/58/392388358.db2.gz NTAAWNCJDJRPQJ-RKDXNWHRSA-N -1 0 309.395 -0.015 20 0 DBADRM O=C(CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1)Nc1nncs1 ZINC000289518429 131392715 /nfs/dbraw/zinc/39/27/15/131392715.db2.gz VNCBSCGAUOQBBQ-ZETCQYMHSA-N -1 0 309.355 -0.232 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-] ZINC000033455875 392411576 /nfs/dbraw/zinc/41/15/76/392411576.db2.gz OISFNSDUMNWWGW-TVQRCGJNSA-N -1 0 315.370 -0.366 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cc(C(=O)NC)n(C)c1)C(=O)[O-] ZINC000035186587 392417202 /nfs/dbraw/zinc/41/72/02/392417202.db2.gz UCYGMGPNAFMFOX-QMMMGPOBSA-N -1 0 303.340 -0.474 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000647131009 392434760 /nfs/dbraw/zinc/43/47/60/392434760.db2.gz BRZABCOABYUMCJ-QMMMGPOBSA-N -1 0 300.336 -0.188 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)NCc1nnc2n1CCCCC2 ZINC000557775349 392439874 /nfs/dbraw/zinc/43/98/74/392439874.db2.gz QHRQWIXHFLMYDV-JTQLQIEISA-N -1 0 323.353 -0.001 20 0 DBADRM CC[C@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000647257476 392518398 /nfs/dbraw/zinc/51/83/98/392518398.db2.gz FQEIWXDMMHVIBV-VIFPVBQESA-N -1 0 320.305 -0.775 20 0 DBADRM CC[C@H](NC(=O)c1ccc(S(=O)(=O)NC)nc1)C(=O)[O-] ZINC000647257266 392518561 /nfs/dbraw/zinc/51/85/61/392518561.db2.gz XKXZSOHLTGASTR-QMMMGPOBSA-N -1 0 301.324 -0.417 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)[O-] ZINC000560419736 392520527 /nfs/dbraw/zinc/52/05/27/392520527.db2.gz RYAKDJFRQZBBRN-DTWKUNHWSA-N -1 0 305.356 -0.379 20 0 DBADRM CCN1CCN(CC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C(=O)C1=O ZINC000647260409 392524198 /nfs/dbraw/zinc/52/41/98/392524198.db2.gz LIYRRVGOTYXGGI-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000566489855 392544291 /nfs/dbraw/zinc/54/42/91/392544291.db2.gz CBCZFVXIESMBTG-SNVBAGLBSA-N -1 0 319.383 -0.120 20 0 DBADRM CO[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)[O-] ZINC000559215377 392477461 /nfs/dbraw/zinc/47/74/61/392477461.db2.gz RGPKCNQWOWOYDN-VIFPVBQESA-N -1 0 319.339 -0.906 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc1 ZINC000040699631 392482498 /nfs/dbraw/zinc/48/24/98/392482498.db2.gz STKXKXVOJJJHBM-SNVBAGLBSA-N -1 0 317.319 -0.413 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000131783226 392482929 /nfs/dbraw/zinc/48/29/29/392482929.db2.gz RFVUYQSCSSOIHC-UHFFFAOYSA-N -1 0 303.340 -0.061 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)co1 ZINC000647219461 392484549 /nfs/dbraw/zinc/48/45/49/392484549.db2.gz DYZHFWHDOBXKHC-MRVPVSSYSA-N -1 0 318.307 -0.887 20 0 DBADRM COC(=O)c1coc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000354364095 392494530 /nfs/dbraw/zinc/49/45/30/392494530.db2.gz BIWINHTWMYHHCL-UHFFFAOYSA-N -1 0 314.279 -0.160 20 0 DBADRM CC(C)[C@@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)N1CCCC1=O ZINC000370858868 392507701 /nfs/dbraw/zinc/50/77/01/392507701.db2.gz FEUNYLBGIDSZIN-JQWIXIFHSA-N -1 0 322.369 -0.253 20 0 DBADRM CC(C)OCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000402631130 392552676 /nfs/dbraw/zinc/55/26/76/392552676.db2.gz FGHUKCPRVNVWQS-SNVBAGLBSA-N -1 0 305.356 -0.110 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000427732000 392553126 /nfs/dbraw/zinc/55/31/26/392553126.db2.gz SRDGBJWFUMWHTF-SFYZADRCSA-N -1 0 318.355 -0.934 20 0 DBADRM CO[C@@H](CNC(=O)Cn1cnc2c(C)cccc2c1=O)C(=O)[O-] ZINC000427756866 392554195 /nfs/dbraw/zinc/55/41/95/392554195.db2.gz IMVCCXBSYCRZRD-NSHDSACASA-N -1 0 319.317 -0.079 20 0 DBADRM COc1ccc(C(=O)NCC(=O)NC[C@H](OC)C(=O)[O-])cc1 ZINC000427777542 392554216 /nfs/dbraw/zinc/55/42/16/392554216.db2.gz YQDFVPWWOUGVRX-NSHDSACASA-N -1 0 310.306 -0.359 20 0 DBADRM O=C(Cn1cc(NC(=O)c2ncccc2[O-])cn1)NCCO ZINC000428018375 392568449 /nfs/dbraw/zinc/56/84/49/392568449.db2.gz ULNCLDVZKLPJFM-UHFFFAOYSA-N -1 0 305.294 -0.656 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1c[nH]c(C)n1)C(=O)[O-] ZINC000168813253 392568694 /nfs/dbraw/zinc/56/86/94/392568694.db2.gz XJTGWKKYOLVCPZ-SSDOTTSWSA-N -1 0 305.312 -0.597 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1c[nH]c(C)n1)C(=O)[O-] ZINC000168813151 392568957 /nfs/dbraw/zinc/56/89/57/392568957.db2.gz XJTGWKKYOLVCPZ-ZETCQYMHSA-N -1 0 305.312 -0.597 20 0 DBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cnn(C)c1C ZINC000291902598 131608085 /nfs/dbraw/zinc/60/80/85/131608085.db2.gz QTTCZJYCAHMFPB-SECBINFHSA-N -1 0 305.356 -0.161 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C[C@@H](CO)O1 ZINC000647481806 392591817 /nfs/dbraw/zinc/59/18/17/392591817.db2.gz PEUBVXLNRQKWAM-SKDRFNHKSA-N -1 0 322.317 -0.069 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2CO)c1 ZINC000647481791 392591911 /nfs/dbraw/zinc/59/19/11/392591911.db2.gz MGIVVEASHQDREL-GHMZBOCLSA-N -1 0 308.290 -0.723 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000647478641 392592114 /nfs/dbraw/zinc/59/21/14/392592114.db2.gz YOJCAWHRRKDDRY-MRVPVSSYSA-N -1 0 307.306 -0.036 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000647482290 392593381 /nfs/dbraw/zinc/59/33/81/392593381.db2.gz BFPUUSUFUIZTRI-WDEREUQCSA-N -1 0 308.290 -0.147 20 0 DBADRM Cn1nc(NC(=O)C(=O)NCCCC(=O)[O-])cc1OC(F)F ZINC000647484317 392595346 /nfs/dbraw/zinc/59/53/46/392595346.db2.gz QNYRPYUUEILZAW-UHFFFAOYSA-N -1 0 320.252 -0.059 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000647487931 392596422 /nfs/dbraw/zinc/59/64/22/392596422.db2.gz JRMSRNWKSGUZSE-JTQLQIEISA-N -1 0 323.305 -0.531 20 0 DBADRM CC(C)OCCCC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424235296 392665201 /nfs/dbraw/zinc/66/52/01/392665201.db2.gz FZSIFRMEGXWBSN-SNVBAGLBSA-N -1 0 307.368 -0.098 20 0 DBADRM CCCNC(=O)CCC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424241462 392666707 /nfs/dbraw/zinc/66/67/07/392666707.db2.gz LHGBUJGQBHNEGJ-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3n[nH]nc3c2)CCS1(=O)=O ZINC000424249980 392666968 /nfs/dbraw/zinc/66/69/68/392666968.db2.gz UKDQXAVYYDFNBT-SNVBAGLBSA-N -1 0 324.318 -0.718 20 0 DBADRM Cc1cnn(CCC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424245286 392666985 /nfs/dbraw/zinc/66/69/85/392666985.db2.gz ORJXWNJVMVPUHN-SNVBAGLBSA-N -1 0 315.351 -0.708 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cccc3[nH]ncc32)CCS1(=O)=O ZINC000424254177 392667307 /nfs/dbraw/zinc/66/73/07/392667307.db2.gz YJVLTHDTBXIODX-LLVKDONJSA-N -1 0 323.330 -0.113 20 0 DBADRM CC[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)OC ZINC000424395930 392668364 /nfs/dbraw/zinc/66/83/64/392668364.db2.gz FWDGGLCTYZBJES-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM CN(CC(F)(F)F)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424367252 392668798 /nfs/dbraw/zinc/66/87/98/392668798.db2.gz LASDXMVDLPDQIG-LURJTMIESA-N -1 0 318.273 -0.216 20 0 DBADRM CNC(=O)Cn1cnc(=NC(=O)c2cccc(SC)n2)[n-]1 ZINC000648303033 392668955 /nfs/dbraw/zinc/66/89/55/392668955.db2.gz KBYYBALMMRLCHB-UHFFFAOYSA-N -1 0 306.351 -0.185 20 0 DBADRM CO[C@H](C)CCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424399106 392669037 /nfs/dbraw/zinc/66/90/37/392669037.db2.gz WRUISXXYCFRKSH-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc(F)cn2)CCS1(=O)=O ZINC000424387360 392669167 /nfs/dbraw/zinc/66/91/67/392669167.db2.gz XGHLPIYKEVZZDI-QMMMGPOBSA-N -1 0 317.298 -0.064 20 0 DBADRM CO[C@@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C1CC1 ZINC000424401244 392670161 /nfs/dbraw/zinc/67/01/61/392670161.db2.gz YXEGATDMQKXESW-VHSXEESVSA-N -1 0 320.367 -0.695 20 0 DBADRM CO[C@@H](CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C1CC1 ZINC000424401243 392670466 /nfs/dbraw/zinc/67/04/66/392670466.db2.gz YXEGATDMQKXESW-UWVGGRQHSA-N -1 0 320.367 -0.695 20 0 DBADRM CC(C)Oc1ccc(=NC(=O)[C@@H]2CCN(C)S2(=O)=O)[n-]n1 ZINC000648363889 392682304 /nfs/dbraw/zinc/68/23/04/392682304.db2.gz INBYDTZHXBBIHL-VIFPVBQESA-N -1 0 314.367 -0.342 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C[C@H]1C(=O)[O-] ZINC000647503960 392621905 /nfs/dbraw/zinc/62/19/05/392621905.db2.gz YQVHZGNNBRHGDG-WISYIIOYSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C[C@H]1C(=O)[O-] ZINC000647503959 392622115 /nfs/dbraw/zinc/62/21/15/392622115.db2.gz YQVHZGNNBRHGDG-NNYUYHANSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1C(=O)[O-] ZINC000647503962 392622175 /nfs/dbraw/zinc/62/21/75/392622175.db2.gz YQVHZGNNBRHGDG-YFKTTZPYSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](F)(CO)C2)C[C@H]1C(=O)[O-] ZINC000647505872 392626489 /nfs/dbraw/zinc/62/64/89/392626489.db2.gz LBALMSAWOMMUFR-RULNRJAQSA-N -1 0 316.329 -0.512 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCc2ccco2)CCOCC1 ZINC000647577580 392646219 /nfs/dbraw/zinc/64/62/19/392646219.db2.gz KGQQXUBDUKUDCW-UHFFFAOYSA-N -1 0 310.306 -0.107 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ncn1 ZINC000647584104 392647744 /nfs/dbraw/zinc/64/77/44/392647744.db2.gz RZMJKAQCBHNVHQ-SKDRFNHKSA-N -1 0 320.349 -0.030 20 0 DBADRM Cn1cc(CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)cn1 ZINC000647581942 392648040 /nfs/dbraw/zinc/64/80/40/392648040.db2.gz UPUDPFQJNVUTQV-UHFFFAOYSA-N -1 0 308.338 -0.250 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647581224 392648098 /nfs/dbraw/zinc/64/80/98/392648098.db2.gz TXKABXAILOUJNF-GARJFASQSA-N -1 0 308.338 -0.243 20 0 DBADRM COCC[C@@H](C)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647582711 392648271 /nfs/dbraw/zinc/64/82/71/392648271.db2.gz OZLHGWGFEGNKOH-SNVBAGLBSA-N -1 0 316.354 -0.475 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647587014 392649357 /nfs/dbraw/zinc/64/93/57/392649357.db2.gz WCBQZAIENIWZRZ-UHFFFAOYSA-N -1 0 313.354 -0.706 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2C[C@H]2C2CC2)CCOCC1 ZINC000647588964 392649402 /nfs/dbraw/zinc/64/94/02/392649402.db2.gz PFNPTJILQVIHKF-WDEREUQCSA-N -1 0 310.350 -0.101 20 0 DBADRM CN(C(=O)C(=O)NCCCC(=O)[O-])C1CCC(CO)CC1 ZINC000647590062 392649625 /nfs/dbraw/zinc/64/96/25/392649625.db2.gz XLWFEXLMCDVQMV-UHFFFAOYSA-N -1 0 300.355 -0.023 20 0 DBADRM CN(C)c1cccc(CNC(=O)C(=O)NCCCC(=O)[O-])n1 ZINC000647587030 392649663 /nfs/dbraw/zinc/64/96/63/392649663.db2.gz WFWKZHDJMLQOII-UHFFFAOYSA-N -1 0 308.338 -0.255 20 0 DBADRM CN(Cc1nccn1C)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647592330 392651189 /nfs/dbraw/zinc/65/11/89/392651189.db2.gz BCVSSJNSWNXVPB-VHSXEESVSA-N -1 0 308.338 -0.252 20 0 DBADRM CNC(=O)CCCN(C)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647592140 392651195 /nfs/dbraw/zinc/65/11/95/392651195.db2.gz VBOJCQZNRHMACU-VHSXEESVSA-N -1 0 313.354 -0.660 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](CCCO)C2)C1 ZINC000647593199 392652109 /nfs/dbraw/zinc/65/21/09/392652109.db2.gz CWADQANLGVPISC-GRYCIOLGSA-N -1 0 312.366 -0.023 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1n1cccn1 ZINC000647602102 392654004 /nfs/dbraw/zinc/65/40/04/392654004.db2.gz BYWGQBKXSFUWNT-NQMVMOMDSA-N -1 0 320.309 -0.372 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOCC2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC000647617886 392656108 /nfs/dbraw/zinc/65/61/08/392656108.db2.gz YDDUPVILERZDIB-BBBLOLIVSA-N -1 0 308.356 -0.874 20 0 DBADRM CCN(C)S(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000647624244 392657353 /nfs/dbraw/zinc/65/73/53/392657353.db2.gz VYHAQGQHHTWYKV-SECBINFHSA-N -1 0 317.371 -0.190 20 0 DBADRM COC[C@H](C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000647642792 392663062 /nfs/dbraw/zinc/66/30/62/392663062.db2.gz KVDLGVDIRBAJGB-WCBMZHEXSA-N -1 0 305.356 -0.252 20 0 DBADRM CC(C)C[C@H]1C(=O)NCCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000293932246 131784420 /nfs/dbraw/zinc/78/44/20/131784420.db2.gz OFOLLBJVFZWHCV-NSHDSACASA-N -1 0 322.365 -0.137 20 0 DBADRM CCS(=O)(=O)NCCS(=O)(=O)N(C)CCCC(=O)[O-] ZINC000340449838 131792854 /nfs/dbraw/zinc/79/28/54/131792854.db2.gz GCUAMJYOGHNPGB-UHFFFAOYSA-N -1 0 316.401 -0.948 20 0 DBADRM CO[C@H]1COC[C@H]1S(=O)(=O)NCc1nnc(C2CC2)[nH]1 ZINC000644260697 392706072 /nfs/dbraw/zinc/70/60/72/392706072.db2.gz KNTDWOBRBCDHAS-DTWKUNHWSA-N -1 0 302.356 -0.485 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647745918 392837302 /nfs/dbraw/zinc/83/73/02/392837302.db2.gz VKPUXXITFNLLJP-UHFFFAOYSA-N -1 0 303.340 -0.023 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC000644576278 392779179 /nfs/dbraw/zinc/77/91/79/392779179.db2.gz GHEVHDOEJPPCCK-LBPRGKRZSA-N -1 0 317.367 -0.051 20 0 DBADRM Cc1cc(C)n2[n-]c(=NC(=O)N3CN(C)C(=O)[C@H]3C)nc2n1 ZINC000647679677 392791633 /nfs/dbraw/zinc/79/16/33/392791633.db2.gz ZECJKFDABMZATK-SECBINFHSA-N -1 0 303.326 -0.185 20 0 DBADRM Cc1cc(C)n2[n-]c(=NC(=O)N3CN(C)C(=O)[C@@H]3C)nc2n1 ZINC000647679678 392791769 /nfs/dbraw/zinc/79/17/69/392791769.db2.gz ZECJKFDABMZATK-VIFPVBQESA-N -1 0 303.326 -0.185 20 0 DBADRM C[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000647755333 392841400 /nfs/dbraw/zinc/84/14/00/392841400.db2.gz AKDDFRREDXDRAE-RKDXNWHRSA-N -1 0 306.384 -0.117 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000038016935 392841622 /nfs/dbraw/zinc/84/16/22/392841622.db2.gz DWLFAMHNGQWAEB-UHFFFAOYSA-N -1 0 308.356 -0.477 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)[N-]O[C@@H]2CCOC2)C1 ZINC000497227521 392803226 /nfs/dbraw/zinc/80/32/26/392803226.db2.gz LOXSQBWKJPOCIH-SECBINFHSA-N -1 0 302.327 -0.195 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000497224328 392803826 /nfs/dbraw/zinc/80/38/26/392803826.db2.gz AWDDEBNNIJYSFQ-ZETCQYMHSA-N -1 0 304.328 -0.722 20 0 DBADRM Cn1cnn(CC(=O)N(CCC(=O)[O-])C2CCOCC2)c1=O ZINC000647734680 392833559 /nfs/dbraw/zinc/83/35/59/392833559.db2.gz JEOFIYYHAUIMPQ-UHFFFAOYSA-N -1 0 312.326 -0.936 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000647742996 392835921 /nfs/dbraw/zinc/83/59/21/392835921.db2.gz SHGYJKASOHDUNF-UTLUCORTSA-N -1 0 304.368 -0.411 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000647742729 392836136 /nfs/dbraw/zinc/83/61/36/392836136.db2.gz KBIPWIBDDVBKCO-CABZTGNLSA-N -1 0 320.367 -0.888 20 0 DBADRM CC(C)[C@@H](C(=O)Nc1ncn(CC(=O)[O-])n1)N1CCCC1=O ZINC000647784120 392886980 /nfs/dbraw/zinc/88/69/80/392886980.db2.gz IYUUXVWTADYZEG-NSHDSACASA-N -1 0 309.326 -0.052 20 0 DBADRM O=C([O-])C1(CNC(=O)c2cnc3n[nH]nc3c2)CCOCC1 ZINC000647764595 392850774 /nfs/dbraw/zinc/85/07/74/392850774.db2.gz IBNITUUYYTZRMN-UHFFFAOYSA-N -1 0 305.294 -0.036 20 0 DBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000262427990 392852411 /nfs/dbraw/zinc/85/24/11/392852411.db2.gz RLJWYSSONWENPB-GHMZBOCLSA-N -1 0 318.395 -0.020 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000570969546 392854513 /nfs/dbraw/zinc/85/45/13/392854513.db2.gz FCAQFHZVLQQPFG-UHFFFAOYSA-N -1 0 324.424 -0.408 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C(=O)[O-])c2ccnn2C)C1 ZINC000647769106 392857494 /nfs/dbraw/zinc/85/74/94/392857494.db2.gz LFCFSSAFSJWQIH-KOLCDFICSA-N -1 0 308.338 -0.080 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CCCNC(=O)C1CC1)C(=O)[O-] ZINC000647773597 392872742 /nfs/dbraw/zinc/87/27/42/392872742.db2.gz BGTIQFFDAVBHNK-GFCCVEGCSA-N -1 0 308.338 -0.032 20 0 DBADRM CC(C)CN1C[C@H](C(=O)Nc2ncn(CC(=O)[O-])n2)CC1=O ZINC000647780927 392876433 /nfs/dbraw/zinc/87/64/33/392876433.db2.gz UDNIDWIVOKUSLY-SECBINFHSA-N -1 0 309.326 -0.194 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000296858426 131989148 /nfs/dbraw/zinc/98/91/48/131989148.db2.gz DBBNIMXKVZCWAG-UHFFFAOYSA-N -1 0 323.334 -0.195 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1nc2ccccn2c1=O)c1nnn[n-]1 ZINC000273463155 392937167 /nfs/dbraw/zinc/93/71/67/392937167.db2.gz FMFXWSFFBQLQBF-SECBINFHSA-N -1 0 316.325 -0.729 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000298095081 132046285 /nfs/dbraw/zinc/04/62/85/132046285.db2.gz KMTTWCJGTIKOBY-UHFFFAOYSA-N -1 0 316.335 -0.196 20 0 DBADRM Cc1nc(C)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])s1 ZINC000267487282 392920760 /nfs/dbraw/zinc/92/07/60/392920760.db2.gz BWALIDZCZSRLQZ-UHFFFAOYSA-N -1 0 307.353 -0.761 20 0 DBADRM O=C([O-])C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000274151397 392937825 /nfs/dbraw/zinc/93/78/25/392937825.db2.gz IVYKKMNOJKKAEV-GFCCVEGCSA-N -1 0 306.318 -0.343 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(c2cccc(C(=O)[O-])n2)CC1 ZINC000416394649 393004606 /nfs/dbraw/zinc/00/46/06/393004606.db2.gz XMEMAMXKPQDDCW-UHFFFAOYSA-N -1 0 320.349 -0.047 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2ccnc(C(N)=O)c2)C1=O ZINC000416439275 393006509 /nfs/dbraw/zinc/00/65/09/393006509.db2.gz BPVTYKKJMZBDCI-ZYHUDNBSSA-N -1 0 320.349 -0.276 20 0 DBADRM COCCS(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417444251 393047462 /nfs/dbraw/zinc/04/74/62/393047462.db2.gz CHJRXLJVXUDDJV-ZJUUUORDSA-N -1 0 322.383 -0.738 20 0 DBADRM CNC(=O)COc1ccc(NC(=O)CN2CC(=O)NC2=O)cc1 ZINC000348825918 393171242 /nfs/dbraw/zinc/17/12/42/393171242.db2.gz DFBHVKLTBAWBLU-UHFFFAOYSA-N -1 0 320.305 -0.698 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000348282187 393135842 /nfs/dbraw/zinc/13/58/42/393135842.db2.gz MKZQYPUFEWGLLK-SSDOTTSWSA-N -1 0 316.387 -0.731 20 0 DBADRM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC1(c2nnn[n-]2)CC1 ZINC000348291947 393137089 /nfs/dbraw/zinc/13/70/89/393137089.db2.gz KBMZTWNGBRZPEW-IUCAKERBSA-N -1 0 318.337 -0.520 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000348292612 393137771 /nfs/dbraw/zinc/13/77/71/393137771.db2.gz LHCNITMAANQOAZ-SECBINFHSA-N -1 0 316.321 -0.053 20 0 DBADRM C[C@](O)(CO)CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000348341725 393141533 /nfs/dbraw/zinc/14/15/33/393141533.db2.gz GJTAMAMSJLVIQU-GFCCVEGCSA-N -1 0 320.342 -0.330 20 0 DBADRM CCCc1nc(=NC(=O)NCCNS(=O)(=O)CC)s[n-]1 ZINC000350902069 393257024 /nfs/dbraw/zinc/25/70/24/393257024.db2.gz QVECKDQLSZHQKF-UHFFFAOYSA-N -1 0 321.428 -0.027 20 0 DBADRM CCCc1nc(=NC(=O)N2CCO[C@H](C(=O)NC)C2)s[n-]1 ZINC000350904416 393257263 /nfs/dbraw/zinc/25/72/63/393257263.db2.gz VVFNDYVEPRDPPF-QMMMGPOBSA-N -1 0 313.383 -0.109 20 0 DBADRM Cc1ccc2nc(CS(=O)(=O)c3n[nH]c(=O)[n-]3)cc(=O)n2c1 ZINC000350145828 393231966 /nfs/dbraw/zinc/23/19/66/393231966.db2.gz IQBVZSBQBHWBFQ-UHFFFAOYSA-N -1 0 321.318 -0.199 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(C(=O)CS(=O)(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000350185953 393235235 /nfs/dbraw/zinc/23/52/35/393235235.db2.gz ZJNSAJDJXCTQEO-HTQZYQBOSA-N -1 0 302.356 -0.212 20 0 DBADRM CCCCOCCNC(=O)CS(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000350238341 393235241 /nfs/dbraw/zinc/23/52/41/393235241.db2.gz BBYWGHZNTJHEPU-UHFFFAOYSA-N -1 0 306.344 -0.783 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)NC[C@]2(O)CCOC2)s[n-]1 ZINC000350668176 393243772 /nfs/dbraw/zinc/24/37/72/393243772.db2.gz SQGRLZNZKDCQQT-WRWORJQWSA-N -1 0 302.356 -0.060 20 0 DBADRM Cn1nnc2cc(C(=O)NCCCc3n[nH]c(=O)[n-]3)cnc21 ZINC000350859365 393251985 /nfs/dbraw/zinc/25/19/85/393251985.db2.gz ARYDOUDVUABAOE-UHFFFAOYSA-N -1 0 302.298 -0.450 20 0 DBADRM Cn1nc(C(=O)NC[C@](C)(O)C(=O)[O-])c(=O)c2ccccc21 ZINC000349043732 393186182 /nfs/dbraw/zinc/18/61/82/393186182.db2.gz FDRRFTLYCMGHIL-AWEZNQCLSA-N -1 0 305.290 -0.501 20 0 DBADRM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000349084410 393189953 /nfs/dbraw/zinc/18/99/53/393189953.db2.gz PAURUVXHTGNWRB-NHYWBVRUSA-N -1 0 323.349 -0.212 20 0 DBADRM O=C(NC[C@H]1CC[C@@H](CO)O1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000349704300 393213489 /nfs/dbraw/zinc/21/34/89/393213489.db2.gz UNGJJUKTODEYHZ-BDAKNGLRSA-N -1 0 320.305 -0.294 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)OC ZINC000351851178 393317045 /nfs/dbraw/zinc/31/70/45/393317045.db2.gz VBFBAPWYRDLOOB-SNVBAGLBSA-N -1 0 321.289 -0.052 20 0 DBADRM C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)[N-]CC(F)(F)F ZINC000192016337 393267264 /nfs/dbraw/zinc/26/72/64/393267264.db2.gz OOYZEYUWWZMBJF-NKWVEPMBSA-N -1 0 303.306 -0.031 20 0 DBADRM COC(=O)c1cncc(NC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000352624768 393390652 /nfs/dbraw/zinc/39/06/52/393390652.db2.gz BLTXQTPROJSFAP-UHFFFAOYSA-N -1 0 304.262 -0.080 20 0 DBADRM O=C(NCCN1c2ccccc2[N-]S1(=O)=O)c1cn[nH]n1 ZINC000352104897 393349393 /nfs/dbraw/zinc/34/93/93/393349393.db2.gz HBMARTNYOZCZSL-UHFFFAOYSA-N -1 0 308.323 -0.289 20 0 DBADRM CC[NH+](CC)CCS(=O)(=O)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC000352284038 393363737 /nfs/dbraw/zinc/36/37/37/393363737.db2.gz NATQJQVCUHYLJX-NSHDSACASA-N -1 0 319.427 -0.217 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000352472941 393377652 /nfs/dbraw/zinc/37/76/52/393377652.db2.gz MHZDHZJGFBLZHF-SECBINFHSA-N -1 0 303.388 -0.168 20 0 DBADRM O=C([O-])[C@@H]1COCCN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000648425762 393470006 /nfs/dbraw/zinc/47/00/06/393470006.db2.gz ORDXYARKBKBUIQ-AGIUHOORSA-N -1 0 312.366 -0.058 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-]CC(F)(F)CO)C1CCOCC1 ZINC000645654056 393489441 /nfs/dbraw/zinc/48/94/41/393489441.db2.gz QLOOZAFXABYIPD-SNVBAGLBSA-N -1 0 317.354 -0.025 20 0 DBADRM CCOC(=O)Cn1cnc([N-]C(=O)c2cc(C(=O)OC)on2)n1 ZINC000425097819 393508839 /nfs/dbraw/zinc/50/88/39/393508839.db2.gz JBBRADMZJUUFEN-UHFFFAOYSA-N -1 0 323.265 -0.132 20 0 DBADRM CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000262742857 393596454 /nfs/dbraw/zinc/59/64/54/393596454.db2.gz WTTRCDAOJCUJAZ-UHFFFAOYSA-N -1 0 324.337 -0.847 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)CCCn1cccn1 ZINC000424224508 393634835 /nfs/dbraw/zinc/63/48/35/393634835.db2.gz BCDLYVFFJXOQFS-VIFPVBQESA-N -1 0 320.309 -0.544 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NC[C@@H](CC(C)C)C(=O)[O-])C(N)=O ZINC000424251223 393636068 /nfs/dbraw/zinc/63/60/68/393636068.db2.gz QCXVBAKKRHTEAM-ZJUUUORDSA-N -1 0 301.343 -0.770 20 0 DBADRM CN(CC(F)(F)F)C(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424391746 393638429 /nfs/dbraw/zinc/63/84/29/393638429.db2.gz NPIPFHXFATUCLY-YFKPBYRVSA-N -1 0 323.231 -0.133 20 0 DBADRM CC(C)(C)CS(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424391040 393638471 /nfs/dbraw/zinc/63/84/71/393638471.db2.gz MCXSSQROVCVZOT-SSDOTTSWSA-N -1 0 318.355 -0.372 20 0 DBADRM COC(=O)c1occc1CN1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424408688 393639239 /nfs/dbraw/zinc/63/92/39/393639239.db2.gz FDZARIHDMRKWKO-MRVPVSSYSA-N -1 0 322.277 -0.168 20 0 DBADRM CC(C)C[C@@H](CNC(=O)NC[C@H](O)Cn1ccnn1)C(=O)[O-] ZINC000424431132 393639514 /nfs/dbraw/zinc/63/95/14/393639514.db2.gz ONVSQWIBMYMDRY-QWRGUYRKSA-N -1 0 313.358 -0.315 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCc1ccn(C)n1)C(=O)[O-] ZINC000424480033 393643966 /nfs/dbraw/zinc/64/39/66/393643966.db2.gz FTLLSTFFXQOCAD-LLVKDONJSA-N -1 0 324.381 -0.058 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N[C@@H]1CCn2ccnc2C1)C(=O)[O-] ZINC000424486117 393644104 /nfs/dbraw/zinc/64/41/04/393644104.db2.gz HMNMGGSYYNIQQA-SNVBAGLBSA-N -1 0 322.365 -0.069 20 0 DBADRM C[C@H]1[C@H](CO)CCN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424479257 393644280 /nfs/dbraw/zinc/64/42/80/393644280.db2.gz HLEMVPDGKMELLY-UWVGGRQHSA-N -1 0 300.355 -0.167 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N[C@@H](C)C[S@](C)=O)C(=O)[O-] ZINC000424487605 393644904 /nfs/dbraw/zinc/64/49/04/393644904.db2.gz KIKALASYQXIUKY-FPVGNUTFSA-N -1 0 320.411 -0.123 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCn1cncn1)C(=O)[O-] ZINC000424514626 393645086 /nfs/dbraw/zinc/64/50/86/393645086.db2.gz GOEONNRZDXZWHY-SNVBAGLBSA-N -1 0 311.342 -0.743 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCNC(=O)CC1)C(=O)[O-] ZINC000424488655 393645256 /nfs/dbraw/zinc/64/52/56/393645256.db2.gz LNUKJXDIJVCZMP-SNVBAGLBSA-N -1 0 313.354 -0.802 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC000424529728 393646249 /nfs/dbraw/zinc/64/62/49/393646249.db2.gz ZYGWCXNSDOEFIC-NXEZZACHSA-N -1 0 313.354 -0.804 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC000424529734 393646286 /nfs/dbraw/zinc/64/62/86/393646286.db2.gz ZYGWCXNSDOEFIC-ZJUUUORDSA-N -1 0 313.354 -0.804 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCC(=O)NCCO)c1 ZINC000424723838 393652183 /nfs/dbraw/zinc/65/21/83/393652183.db2.gz DDWHQRPXGRDXCN-NRFANRHFSA-N -1 0 314.363 -0.973 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N(C)C[C@H](O)CO)c1 ZINC000424766554 393654247 /nfs/dbraw/zinc/65/42/47/393654247.db2.gz PXKGEFUWKQOXQG-FVINQWEUSA-N -1 0 301.364 -0.386 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000645936775 393733590 /nfs/dbraw/zinc/73/35/90/393733590.db2.gz ZRKDUZKXZWVHEF-SNVBAGLBSA-N -1 0 310.335 -0.211 20 0 DBADRM Cc1noc(CCCNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC000645963202 393736746 /nfs/dbraw/zinc/73/67/46/393736746.db2.gz AGALKIBJRZLSOY-VIFPVBQESA-N -1 0 318.355 -0.306 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCOC[C@@H]1CCOC1 ZINC000645964677 393737016 /nfs/dbraw/zinc/73/70/16/393737016.db2.gz FOOVLWHMCOVCQB-SNVBAGLBSA-N -1 0 310.372 -0.720 20 0 DBADRM COCCCOC1CN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000645984211 393737659 /nfs/dbraw/zinc/73/76/59/393737659.db2.gz ALXWWXRRHZQWBC-UHFFFAOYSA-N -1 0 310.372 -0.625 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCCOC[C@@H]1CCOC1 ZINC000645979808 393738025 /nfs/dbraw/zinc/73/80/25/393738025.db2.gz HPTNYNADTXNZSD-NSHDSACASA-N -1 0 324.399 -0.330 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCS[C@H]2COCC[C@@H]21 ZINC000645990497 393738998 /nfs/dbraw/zinc/73/89/98/393738998.db2.gz CFWYYQFAECBLDK-UWVGGRQHSA-N -1 0 324.424 -0.156 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCS[C@@H]2COCC[C@H]21 ZINC000645990496 393739006 /nfs/dbraw/zinc/73/90/06/393739006.db2.gz CFWYYQFAECBLDK-NXEZZACHSA-N -1 0 324.424 -0.156 20 0 DBADRM CCc1ccccc1-n1cc([O-])c(C(=O)NC[C@@H](O)C(N)=O)n1 ZINC000646025115 393741819 /nfs/dbraw/zinc/74/18/19/393741819.db2.gz IZPRKNXOJWNQKO-LLVKDONJSA-N -1 0 318.333 -0.284 20 0 DBADRM CC(C)[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnnn2C)C1 ZINC000646044238 393744236 /nfs/dbraw/zinc/74/42/36/393744236.db2.gz NCYPQOVIDIIZFB-LLVKDONJSA-N -1 0 302.356 -0.064 20 0 DBADRM Cn1cnc(CCCNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC000646056967 393746860 /nfs/dbraw/zinc/74/68/60/393746860.db2.gz OMAVFACCWNKYPP-VIFPVBQESA-N -1 0 317.371 -0.869 20 0 DBADRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](CO)C(N)=O)n1 ZINC000646165258 393755401 /nfs/dbraw/zinc/75/54/01/393755401.db2.gz UYQUMSWSLLMTLE-JTQLQIEISA-N -1 0 318.333 -0.284 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000646160425 393755587 /nfs/dbraw/zinc/75/55/87/393755587.db2.gz LYDQKXOVNLQROP-IVZWLZJFSA-N -1 0 321.399 -0.133 20 0 DBADRM O=C([O-])C1(CNC(=O)NC[C@H]2CCCC(=O)N2)CCOCC1 ZINC000646156507 393755606 /nfs/dbraw/zinc/75/56/06/393755606.db2.gz CNATUGWTEYTZSJ-SNVBAGLBSA-N -1 0 313.354 -0.164 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000646176508 393756079 /nfs/dbraw/zinc/75/60/79/393756079.db2.gz AJIUDVXJYCGMRK-AEJSXWLSSA-N -1 0 319.383 -0.427 20 0 DBADRM Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)c2n[nH]c(=O)[n-]2)on1 ZINC000429904151 393701116 /nfs/dbraw/zinc/70/11/16/393701116.db2.gz ZPLPZGRGNDQNEO-RXMQYKEDSA-N -1 0 301.284 -0.392 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)CCOCc1ccccc1 ZINC000572498598 393721034 /nfs/dbraw/zinc/72/10/34/393721034.db2.gz XSZQDACEMXHZHN-LLVKDONJSA-N -1 0 303.336 -0.432 20 0 DBADRM C=CC(=O)NCCC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000490557320 393787860 /nfs/dbraw/zinc/78/78/60/393787860.db2.gz FFIILANRTVHPJB-UHFFFAOYSA-N -1 0 302.294 -0.001 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000490948499 393797920 /nfs/dbraw/zinc/79/79/20/393797920.db2.gz RFSQYVKSINXRDD-VIFPVBQESA-N -1 0 308.356 -0.300 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)OC ZINC000491487617 393815277 /nfs/dbraw/zinc/81/52/77/393815277.db2.gz FSBRRUPXHCYLTA-SECBINFHSA-N -1 0 310.372 -0.054 20 0 DBADRM COC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C1 ZINC000491539153 393818541 /nfs/dbraw/zinc/81/85/41/393818541.db2.gz DALHNVNGBDTRJE-ZJUUUORDSA-N -1 0 320.367 -0.300 20 0 DBADRM COc1cc(/C=C\C(=O)[N-]S(=O)(=O)CC(N)=O)ccc1F ZINC000492565040 393831458 /nfs/dbraw/zinc/83/14/58/393831458.db2.gz LSAMABAAUGMAOM-HYXAFXHYSA-N -1 0 316.310 -0.221 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000275186736 292032896 /nfs/dbraw/zinc/03/28/96/292032896.db2.gz XGSGDWVGSLIOHD-MRVPVSSYSA-N -1 0 319.291 -0.460 20 0 DBADRM CCOC(=O)NCCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000272598570 285821741 /nfs/dbraw/zinc/82/17/41/285821741.db2.gz DXMZJELZEMTKLK-SECBINFHSA-N -1 0 317.342 -0.440 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000054053872 285869643 /nfs/dbraw/zinc/86/96/43/285869643.db2.gz DMRCYRSSPITUCE-IUCAKERBSA-N -1 0 308.356 -0.336 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@]12CCCO2 ZINC000274253514 286381823 /nfs/dbraw/zinc/38/18/23/286381823.db2.gz UADDDWIRAMTUNN-RWSFTLGLSA-N -1 0 323.349 -0.058 20 0 DBADRM COCCCS(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000262429541 292366649 /nfs/dbraw/zinc/36/66/49/292366649.db2.gz ODOWDJFVKGFUIK-SECBINFHSA-N -1 0 310.372 -0.736 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000262068153 286648548 /nfs/dbraw/zinc/64/85/48/286648548.db2.gz COENFTDHSSFVIL-SECBINFHSA-N -1 0 324.424 -0.313 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263355714 286649469 /nfs/dbraw/zinc/64/94/69/286649469.db2.gz QTUNGGNCACKFCJ-NXEZZACHSA-N -1 0 306.384 -0.163 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000372495857 292433480 /nfs/dbraw/zinc/43/34/80/292433480.db2.gz IVPHSKQURMQTQD-AXFHLTTASA-N -1 0 306.384 -0.006 20 0 DBADRM CC(C)Oc1ccc(=NC(=O)N2CC(N3CC[C@@H](O)C3)C2)[n-]n1 ZINC000650141142 411633512 /nfs/dbraw/zinc/63/35/12/411633512.db2.gz KWURPPJUKDTGNJ-GFCCVEGCSA-N -1 0 321.381 -0.032 20 0 DBADRM CCn1cc([N-]S(=O)(=O)N2CCCOCC2)c(C(N)=O)n1 ZINC000650198575 411637292 /nfs/dbraw/zinc/63/72/92/411637292.db2.gz DFASDMTWYANAMQ-UHFFFAOYSA-N -1 0 317.371 -0.619 20 0 DBADRM CCC[C@H](C)[C@@H](CO)NC(=O)C(=O)N=c1ccc(OC)n[n-]1 ZINC000651963559 411640970 /nfs/dbraw/zinc/64/09/70/411640970.db2.gz BDQFPOZONXMJQG-VHSXEESVSA-N -1 0 310.354 -0.241 20 0 DBADRM Cc1nc(=NC(=O)C(=O)N2CCC[C@H](OC(C)C)C2)[n-]n1C ZINC000651967906 411642318 /nfs/dbraw/zinc/64/23/18/411642318.db2.gz YZWBOKVNUVLUMH-NSHDSACASA-N -1 0 309.370 -0.100 20 0 DBADRM COc1ccccc1N1C(=O)C[C@@H](NCc2nnn[n-]2)C1=O ZINC000653285373 411703557 /nfs/dbraw/zinc/70/35/57/411703557.db2.gz MTMQVSIIHPZEJK-MRVPVSSYSA-N -1 0 302.294 -0.370 20 0 DBADRM CC(C)[C@@H](NC(=O)CC1(n2cnnn2)CCOCC1)C(=O)[O-] ZINC000659117241 411706669 /nfs/dbraw/zinc/70/66/69/411706669.db2.gz XBFLONXPFUAXLH-LLVKDONJSA-N -1 0 311.342 -0.206 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653295678 411712386 /nfs/dbraw/zinc/71/23/86/411712386.db2.gz TXOJAYBXOBYTLV-LBPRGKRZSA-N -1 0 304.368 -0.147 20 0 DBADRM O=C([O-])C1(NC(=O)CC2(n3cnnn3)CCOCC2)CCC1 ZINC000659136869 411714220 /nfs/dbraw/zinc/71/42/20/411714220.db2.gz DDNGCIFTPCPECY-UHFFFAOYSA-N -1 0 309.326 -0.308 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000659136960 411714329 /nfs/dbraw/zinc/71/43/29/411714329.db2.gz FHRKBGCQTWNJRO-CYBMUJFWSA-N -1 0 323.353 -0.108 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)Cc1n[n-]c(=O)o1 ZINC000660850821 411649137 /nfs/dbraw/zinc/64/91/37/411649137.db2.gz YPXKDRNDGIVPRG-QMMMGPOBSA-N -1 0 311.342 -0.668 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000650416581 411663877 /nfs/dbraw/zinc/66/38/77/411663877.db2.gz PMDNYYYQYIWJBP-GIPNMCIBSA-N -1 0 318.395 -0.020 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000663065667 411669562 /nfs/dbraw/zinc/66/95/62/411669562.db2.gz CIFLQSQKUFUPJA-GFCCVEGCSA-N -1 0 316.335 -0.560 20 0 DBADRM O=C([O-])CN(CC(=O)N1CCN(C(=O)C2CC2)CC1)CC1CC1 ZINC000650511153 411670180 /nfs/dbraw/zinc/67/01/80/411670180.db2.gz IQIHYBBDHKJVKJ-UHFFFAOYSA-N -1 0 323.393 -0.136 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1 ZINC000663109667 411670505 /nfs/dbraw/zinc/67/05/05/411670505.db2.gz ZCPCYPITTYPBKF-HNNXBMFYSA-N -1 0 311.382 -0.232 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000650515837 411670627 /nfs/dbraw/zinc/67/06/27/411670627.db2.gz IOQAZGDMYKTHFI-LBPRGKRZSA-N -1 0 311.382 -0.138 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H]3COC[C@@H]3C2)C1 ZINC000663429875 411678253 /nfs/dbraw/zinc/67/82/53/411678253.db2.gz JSGDRPIQPKMZJD-UTUOFQBUSA-N -1 0 318.395 -0.004 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000038029992 411680222 /nfs/dbraw/zinc/68/02/22/411680222.db2.gz RRBYEZYXWYWDCH-SECBINFHSA-N -1 0 316.339 -0.670 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659055629 411688091 /nfs/dbraw/zinc/68/80/91/411688091.db2.gz LBFKMWXJGBCCLE-RKDXNWHRSA-N -1 0 323.305 -0.674 20 0 DBADRM COCC(COC)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659059861 411688718 /nfs/dbraw/zinc/68/87/18/411688718.db2.gz HIVGYLNIGGIYBT-UHFFFAOYSA-N -1 0 311.294 -0.504 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659063302 411689209 /nfs/dbraw/zinc/68/92/09/411689209.db2.gz GVKOJAGKCJOCDI-RKDXNWHRSA-N -1 0 309.278 -0.752 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1)C(=O)[O-] ZINC000659065488 411689367 /nfs/dbraw/zinc/68/93/67/411689367.db2.gz XSCJENUNCDIGAA-SECBINFHSA-N -1 0 321.333 -0.155 20 0 DBADRM CC(C)(C)n1nccc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000659061986 411689523 /nfs/dbraw/zinc/68/95/23/411689523.db2.gz GXYVLQYVXNJHRT-VIFPVBQESA-N -1 0 324.337 -0.111 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)C[C@H]2CCOC[C@H]2OC)[n-]n1 ZINC000650819304 411690617 /nfs/dbraw/zinc/69/06/17/411690617.db2.gz PWMXQQUEAUKPLQ-MWLCHTKSSA-N -1 0 308.338 -0.362 20 0 DBADRM CCCN1C[C@H](C(=O)N=c2ccc(C(=O)NC)n[n-]2)CC1=O ZINC000650819386 411691372 /nfs/dbraw/zinc/69/13/72/411691372.db2.gz SAHGSDXGYMIMKP-SECBINFHSA-N -1 0 305.338 -0.545 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)CS(=O)(=O)C(C)(C)C)[n-]n1 ZINC000650817729 411691481 /nfs/dbraw/zinc/69/14/81/411691481.db2.gz LXTVAQWUVCHHIF-UHFFFAOYSA-N -1 0 314.367 -0.590 20 0 DBADRM CC[C@H](O)CCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000398453788 411739623 /nfs/dbraw/zinc/73/96/23/411739623.db2.gz FDQDUFPWHHZKJZ-VIFPVBQESA-N -1 0 305.356 -0.203 20 0 DBADRM O=C([O-])[C@@H]1CCCN1C(=O)CC1(n2cnnn2)CCOCC1 ZINC000659150684 411741280 /nfs/dbraw/zinc/74/12/80/411741280.db2.gz DDIVPFRVRPKCBS-JTQLQIEISA-N -1 0 309.326 -0.356 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC2(CC(=O)[O-])CCC2)nc1 ZINC000653321640 411742447 /nfs/dbraw/zinc/74/24/47/411742447.db2.gz XFGUAPJNCYCXMV-UHFFFAOYSA-N -1 0 313.335 -0.144 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(C(=O)C2(n3cnnn3)CC2)C1 ZINC000659153700 411743731 /nfs/dbraw/zinc/74/37/31/411743731.db2.gz KHHBNJDXCNVDRU-LBPRGKRZSA-N -1 0 309.326 -0.498 20 0 DBADRM CCC[C@H](NC(=O)[C@@H]1CCCS(=O)(=O)C1)c1nnn[n-]1 ZINC000651461589 411745925 /nfs/dbraw/zinc/74/59/25/411745925.db2.gz CKILVWOQQWNKSE-BDAKNGLRSA-N -1 0 301.372 -0.018 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 ZINC000652051166 411752486 /nfs/dbraw/zinc/75/24/86/411752486.db2.gz WIUWXCAQGYFEOL-NSHDSACASA-N -1 0 312.347 -0.265 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CCCCC1 ZINC000652067346 411753403 /nfs/dbraw/zinc/75/34/03/411753403.db2.gz UTCPSBSDYJHGHW-VIFPVBQESA-N -1 0 304.368 -0.171 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)Cc2ccccc21 ZINC000652065063 411753476 /nfs/dbraw/zinc/75/34/76/411753476.db2.gz LIPBYDZUJVPYNX-NEPJUHHUSA-N -1 0 324.358 -0.111 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1ccccc1F ZINC000652062573 411753881 /nfs/dbraw/zinc/75/38/81/411753881.db2.gz OQDYAXLQZUKVSF-NXEZZACHSA-N -1 0 316.310 -0.241 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)Cc2ccccc21 ZINC000652065064 411753904 /nfs/dbraw/zinc/75/39/04/411753904.db2.gz LIPBYDZUJVPYNX-NWDGAFQWSA-N -1 0 324.358 -0.111 20 0 DBADRM O=C([O-])CCC1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000652065016 411753990 /nfs/dbraw/zinc/75/39/90/411753990.db2.gz JFHRLEIKQHDLJI-SNVBAGLBSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])C1(NC(=O)[C@H]2CCS(=O)(=O)N2)Cc2ccccc2C1 ZINC000652055227 411754083 /nfs/dbraw/zinc/75/40/83/411754083.db2.gz XLAOZPYJPPZISD-LLVKDONJSA-N -1 0 324.358 -0.584 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)C2(n3cnnn3)CCCCC2)CC1 ZINC000652060693 411754162 /nfs/dbraw/zinc/75/41/62/411754162.db2.gz CYGFCEBCPQYGJG-UHFFFAOYSA-N -1 0 323.353 -0.229 20 0 DBADRM COC[C@H](NC(=O)c1ccc(-n2nnnc2C)cc1)C(=O)[O-] ZINC000652069557 411754169 /nfs/dbraw/zinc/75/41/69/411754169.db2.gz QEOHYTJKMLZMTC-NSHDSACASA-N -1 0 305.294 -0.200 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1cccs1 ZINC000652068759 411754222 /nfs/dbraw/zinc/75/42/22/411754222.db2.gz ODQHPBJWOBKEIV-XPUUQOCRSA-N -1 0 304.349 -0.318 20 0 DBADRM O=C([O-])Cn1ccc(=NC(=O)C2(n3cnnn3)CCCCC2)[nH]1 ZINC000652059337 411754237 /nfs/dbraw/zinc/75/42/37/411754237.db2.gz KCPKBAJBKYMEAP-UHFFFAOYSA-N -1 0 319.325 -0.326 20 0 DBADRM O=C([O-])C1(NC(=O)[C@H]2CCS(=O)(=O)N2)CCSCC1 ZINC000652062301 411754319 /nfs/dbraw/zinc/75/43/19/411754319.db2.gz FLMWQNCCILIAQB-SSDOTTSWSA-N -1 0 308.381 -0.855 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC000652076757 411755772 /nfs/dbraw/zinc/75/57/72/411755772.db2.gz XLVSEGVJERIAMP-VIFPVBQESA-N -1 0 301.343 -0.756 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C1CC1 ZINC000652125204 411759155 /nfs/dbraw/zinc/75/91/55/411759155.db2.gz IWDIHFKIOPUWDW-WDEREUQCSA-N -1 0 316.379 -0.409 20 0 DBADRM CN(CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)S(C)(=O)=O ZINC000652128880 411759237 /nfs/dbraw/zinc/75/92/37/411759237.db2.gz NKDHKWRKGZSAPX-VHSXEESVSA-N -1 0 304.368 -0.553 20 0 DBADRM CC(C)[C@H]1C(=O)NCCN1C(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651704280 411771278 /nfs/dbraw/zinc/77/12/78/411771278.db2.gz BNYUELOWXXQMGF-JTQLQIEISA-N -1 0 322.369 -0.798 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CC(F)(F)C[C@H]2CO)[n-]1 ZINC000651734855 411771781 /nfs/dbraw/zinc/77/17/81/411771781.db2.gz WYRQXWPAARWDGV-QMMMGPOBSA-N -1 0 317.296 -0.552 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C)[C@H](C)[C@@H]2C)[n-]1 ZINC000651734930 411772354 /nfs/dbraw/zinc/77/23/54/411772354.db2.gz ZBAKJNAEEROPQF-MNOVXSKESA-N -1 0 308.386 -0.230 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)[n-]1 ZINC000651734931 411772439 /nfs/dbraw/zinc/77/24/39/411772439.db2.gz ZBAKJNAEEROPQF-QWRGUYRKSA-N -1 0 308.386 -0.230 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)NC[C@@]2(O)CCC[C@H]2C)[n-]1 ZINC000651827202 411778097 /nfs/dbraw/zinc/77/80/97/411778097.db2.gz XYUARIKLXKENPU-YGRLFVJLSA-N -1 0 309.370 -0.113 20 0 DBADRM CCC(=O)N1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C1 ZINC000651858553 411779753 /nfs/dbraw/zinc/77/97/53/411779753.db2.gz OFXNCAOZIJFEIR-UHFFFAOYSA-N -1 0 308.342 -0.742 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653300868 411723742 /nfs/dbraw/zinc/72/37/42/411723742.db2.gz FTCKHAMBZNJWJX-LBPRGKRZSA-N -1 0 304.368 -0.147 20 0 DBADRM C[C@H](CO)C1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000652660610 411810295 /nfs/dbraw/zinc/81/02/95/411810295.db2.gz SASZJOYIGLQEOJ-ZYHUDNBSSA-N -1 0 312.366 -0.214 20 0 DBADRM CCOC1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000652659875 411810538 /nfs/dbraw/zinc/81/05/38/411810538.db2.gz AYRRTLQNJKCNFY-LLVKDONJSA-N -1 0 314.338 -0.674 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)c2ccccc21 ZINC000653331771 411810683 /nfs/dbraw/zinc/81/06/83/411810683.db2.gz WDKCOGKBPJWSAC-GHMZBOCLSA-N -1 0 317.301 -0.032 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)c2ccccc21 ZINC000653331773 411810746 /nfs/dbraw/zinc/81/07/46/411810746.db2.gz WDKCOGKBPJWSAC-QWRGUYRKSA-N -1 0 317.301 -0.032 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@H](C)CO1 ZINC000652662089 411810770 /nfs/dbraw/zinc/81/07/70/411810770.db2.gz IALALBLZRXFAOG-GMTAPVOTSA-N -1 0 314.338 -0.676 20 0 DBADRM CN(CCC(=O)[O-])C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000655534966 411812351 /nfs/dbraw/zinc/81/23/51/411812351.db2.gz SWDQARVMFCOKBB-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000655535185 411814004 /nfs/dbraw/zinc/81/40/04/411814004.db2.gz VCEDTDYMBUTSBU-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000653340702 411814387 /nfs/dbraw/zinc/81/43/87/411814387.db2.gz OVPZRDTZYBVXFL-SECBINFHSA-N -1 0 318.355 -0.980 20 0 DBADRM CCN(CC(=O)N1CCN(C(=O)C2CC2)CC1)[C@@H](C)C(=O)[O-] ZINC000662214803 411816202 /nfs/dbraw/zinc/81/62/02/411816202.db2.gz GVNDZDXLUXAQQE-NSHDSACASA-N -1 0 311.382 -0.138 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)CCOC(C)C ZINC000653343237 411816825 /nfs/dbraw/zinc/81/68/25/411816825.db2.gz QXJOZAGBJQZGIR-JTQLQIEISA-N -1 0 324.399 -0.348 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC000655545291 411818605 /nfs/dbraw/zinc/81/86/05/411818605.db2.gz BMQPDADLOJAGSX-CABZTGNLSA-N -1 0 305.352 -0.344 20 0 DBADRM C[C@H](CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)[O-] ZINC000655558435 411833153 /nfs/dbraw/zinc/83/31/53/411833153.db2.gz GGLBITDANAJSOC-SSDOTTSWSA-N -1 0 320.305 -0.917 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655567208 411835106 /nfs/dbraw/zinc/83/51/06/411835106.db2.gz MMQSAMWBFWTWAU-JTQLQIEISA-N -1 0 324.399 -0.585 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000655596920 411836819 /nfs/dbraw/zinc/83/68/19/411836819.db2.gz LCQYRCAMHVBLEE-JTQLQIEISA-N -1 0 315.351 -0.867 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000655596921 411837120 /nfs/dbraw/zinc/83/71/20/411837120.db2.gz LCQYRCAMHVBLEE-SNVBAGLBSA-N -1 0 315.351 -0.867 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N(CC(=O)[O-])C1CCC1 ZINC000655587526 411837166 /nfs/dbraw/zinc/83/71/66/411837166.db2.gz ICHXBMYNDCUHCI-UHFFFAOYSA-N -1 0 322.383 -0.592 20 0 DBADRM O=C(NCC[C@@]1(O)CCOC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000652809255 411840289 /nfs/dbraw/zinc/84/02/89/411840289.db2.gz AGLRKZXPIVMSRH-CQSZACIVSA-N -1 0 320.305 -0.293 20 0 DBADRM COCCOCCN1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC000652999090 411867666 /nfs/dbraw/zinc/86/76/66/411867666.db2.gz LDKIYGXXMLTERU-UHFFFAOYSA-N -1 0 312.370 -0.155 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)OC ZINC000659656109 411859009 /nfs/dbraw/zinc/85/90/09/411859009.db2.gz JENHTNZRKSEBAJ-SECBINFHSA-N -1 0 302.327 -0.865 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1cscn1 ZINC000659665932 411859601 /nfs/dbraw/zinc/85/96/01/411859601.db2.gz ZOLOKKKVFCVQKS-APPZFPTMSA-N -1 0 313.335 -0.368 20 0 DBADRM C[C@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1)C(=O)[O-] ZINC000659761742 411886897 /nfs/dbraw/zinc/88/68/97/411886897.db2.gz QWDRHYNYCCMFEV-KPXOXKRLSA-N -1 0 307.306 -0.431 20 0 DBADRM CCN(C(=O)CNS(=O)(=O)c1cn(C)cn1)[C@H](C)C(=O)[O-] ZINC000659769434 411887492 /nfs/dbraw/zinc/88/74/92/411887492.db2.gz GHIVOZTYTXLBAC-MRVPVSSYSA-N -1 0 318.355 -0.980 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000659773180 411888022 /nfs/dbraw/zinc/88/80/22/411888022.db2.gz OYUPHATWADVJDE-QWRGUYRKSA-N -1 0 313.331 -0.073 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000659773994 411888156 /nfs/dbraw/zinc/88/81/56/411888156.db2.gz VTHYSGBDCMSFDV-MNOVXSKESA-N -1 0 313.331 -0.073 20 0 DBADRM CC[C@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)N1CCCC1=O ZINC000659779246 411889267 /nfs/dbraw/zinc/88/92/67/411889267.db2.gz FJKVREFHVLGSDU-UEKVPHQBSA-N -1 0 310.350 -0.053 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCCCCS(N)(=O)=O)C(=O)[O-] ZINC000312624475 411912193 /nfs/dbraw/zinc/91/21/93/411912193.db2.gz JXQDRAIEQMRTRM-SECBINFHSA-N -1 0 309.388 -0.289 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CCn1ccccc1=O)C(=O)[O-] ZINC000402584267 411914558 /nfs/dbraw/zinc/91/45/58/411914558.db2.gz WEYIQOBSRSXLDM-CYBMUJFWSA-N -1 0 304.306 -0.086 20 0 DBADRM CN(C)C(=O)Cn1cnc(=NC(=O)NCCC2(CO)CCC2)[n-]1 ZINC000650054423 411928357 /nfs/dbraw/zinc/92/83/57/411928357.db2.gz BLGIMEQFMJXWDM-UHFFFAOYSA-N -1 0 324.385 -0.538 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)NC[C@@H](C)C(=O)[O-])C2=O)n(C)n1 ZINC000655868581 411974885 /nfs/dbraw/zinc/97/48/85/411974885.db2.gz FQYPPSLOQZGFCW-PSASIEDQSA-N -1 0 323.353 -0.146 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)NC[C@@H](C)C(=O)[O-])C2=O)n(C)n1 ZINC000655868582 411975107 /nfs/dbraw/zinc/97/51/07/411975107.db2.gz FQYPPSLOQZGFCW-SCZZXKLOSA-N -1 0 323.353 -0.146 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC000655862652 411975205 /nfs/dbraw/zinc/97/52/05/411975205.db2.gz BZJVAGJBCJCJAO-SNVBAGLBSA-N -1 0 323.415 -0.076 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000655868471 411975347 /nfs/dbraw/zinc/97/53/47/411975347.db2.gz RHOAPCROPUZLLO-MRVPVSSYSA-N -1 0 300.315 -0.806 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655880996 411975907 /nfs/dbraw/zinc/97/59/07/411975907.db2.gz ZXFHNHDAUYZTIY-UWVGGRQHSA-N -1 0 323.415 -0.030 20 0 DBADRM C[C@H](CNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)C(=O)[O-] ZINC000655888722 411975986 /nfs/dbraw/zinc/97/59/86/411975986.db2.gz NLQKYNUCLJUVEQ-ZJUUUORDSA-N -1 0 321.399 -0.322 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000655895003 411976670 /nfs/dbraw/zinc/97/66/70/411976670.db2.gz PBWZWRRXFZOTCB-UWVGGRQHSA-N -1 0 321.399 -0.324 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)NC[C@@H](C)C(=O)[O-])C2 ZINC000655881682 411976720 /nfs/dbraw/zinc/97/67/20/411976720.db2.gz PDCUIYJXPXPCHJ-SECBINFHSA-N -1 0 311.342 -0.287 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C)C(=O)[O-] ZINC000655942400 411979790 /nfs/dbraw/zinc/97/97/90/411979790.db2.gz QMEVVPMHSNSSPK-ZETCQYMHSA-N -1 0 321.289 -0.093 20 0 DBADRM Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655942275 411980476 /nfs/dbraw/zinc/98/04/76/411980476.db2.gz LLYHDCAUBAHVJD-QMMMGPOBSA-N -1 0 307.306 -0.131 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C)C(=O)[O-] ZINC000655942399 411980490 /nfs/dbraw/zinc/98/04/90/411980490.db2.gz QMEVVPMHSNSSPK-SSDOTTSWSA-N -1 0 321.289 -0.093 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000655943392 411980813 /nfs/dbraw/zinc/98/08/13/411980813.db2.gz NERMKPNOYHEFCE-MRVPVSSYSA-N -1 0 307.306 -0.178 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCCNc1ccccn1)C(=O)[O-] ZINC000655982559 411981927 /nfs/dbraw/zinc/98/19/27/411981927.db2.gz WUFUTPUBUSJSGB-SNVBAGLBSA-N -1 0 308.338 -0.163 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NC[C@@H]1COc2ccccc2O1)C(=O)[O-] ZINC000655977222 411982286 /nfs/dbraw/zinc/98/22/86/411982286.db2.gz FUPKKNSZMYZJII-VHSXEESVSA-N -1 0 322.317 -0.221 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCC(=O)N(C)C)C(=O)[O-] ZINC000655981507 411982368 /nfs/dbraw/zinc/98/23/68/411982368.db2.gz MDPPYSJLTXJKFZ-SECBINFHSA-N -1 0 301.343 -0.946 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCCC(=O)N(C)C)C(=O)[O-] ZINC000655983205 411982489 /nfs/dbraw/zinc/98/24/89/411982489.db2.gz HWWAGKXIZMCVOC-JTQLQIEISA-N -1 0 315.370 -0.556 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1)C(=O)[O-] ZINC000655996271 411982873 /nfs/dbraw/zinc/98/28/73/411982873.db2.gz PABYQUKMOOXXDH-IVZWLZJFSA-N -1 0 313.354 -0.770 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1)C(=O)[O-] ZINC000655986589 411983060 /nfs/dbraw/zinc/98/30/60/411983060.db2.gz GICNVDHXNSGJNI-GHMZBOCLSA-N -1 0 322.365 -0.144 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H](C)COCC(F)(F)F)C(=O)[O-] ZINC000655984620 411983258 /nfs/dbraw/zinc/98/32/58/411983258.db2.gz XPGANGKKMMMLKQ-RQJHMYQMSA-N -1 0 314.260 -0.093 20 0 DBADRM COC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])[C@@H]1CCCO1 ZINC000655994089 411983339 /nfs/dbraw/zinc/98/33/39/411983339.db2.gz RODKNOQAFWWFFU-GUBZILKMSA-N -1 0 302.327 -0.867 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1cccc(N(C)C)n1)C(=O)[O-] ZINC000655991431 411983625 /nfs/dbraw/zinc/98/36/25/411983625.db2.gz MZLGWEMHVFKIDN-VIFPVBQESA-N -1 0 308.338 -0.399 20 0 DBADRM CC(C)C(=O)NCCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655994036 411983738 /nfs/dbraw/zinc/98/37/38/411983738.db2.gz LZCJZWPAHDZTHS-SECBINFHSA-N -1 0 301.343 -0.898 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655987678 411983825 /nfs/dbraw/zinc/98/38/25/411983825.db2.gz MFAJBVQNWVGCQC-OPRDCNLKSA-N -1 0 302.327 -0.867 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCC[C@@H](C)CO)C(=O)[O-] ZINC000655994912 411983948 /nfs/dbraw/zinc/98/39/48/411983948.db2.gz WRWBAQZRZSHELR-MNOVXSKESA-N -1 0 302.371 -0.016 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC(=O)N1)C(=O)[O-] ZINC000655989091 411983965 /nfs/dbraw/zinc/98/39/65/411983965.db2.gz WFLNKOKTJFJERP-VHSXEESVSA-N -1 0 313.354 -0.756 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC(Cn2cncn2)CC1)C(=O)[O-] ZINC000656001843 411984405 /nfs/dbraw/zinc/98/44/05/411984405.db2.gz NKLGOLKFNJHSCN-SNVBAGLBSA-N -1 0 323.353 -0.646 20 0 DBADRM CCC[C@@]1(CO)CCCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656002770 411984743 /nfs/dbraw/zinc/98/47/43/411984743.db2.gz JJXFJVVXARZDBH-HZMBPMFUSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC(Cn2ccnn2)CC1)C(=O)[O-] ZINC000656005261 411985435 /nfs/dbraw/zinc/98/54/35/411985435.db2.gz XBIKNRLCCYMCPL-JTQLQIEISA-N -1 0 323.353 -0.646 20 0 DBADRM COCCOC[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000656003799 411985558 /nfs/dbraw/zinc/98/55/58/411985558.db2.gz XSEYNZUUPFCIRL-GHMZBOCLSA-N -1 0 316.354 -0.665 20 0 DBADRM CCC[C@]1(CO)CCCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656002771 411985674 /nfs/dbraw/zinc/98/56/74/411985674.db2.gz JJXFJVVXARZDBH-IINYFYTJSA-N -1 0 300.355 -0.023 20 0 DBADRM CCC[C@@]1(CO)CCCN1C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000656002773 411985733 /nfs/dbraw/zinc/98/57/33/411985733.db2.gz JJXFJVVXARZDBH-YGRLFVJLSA-N -1 0 300.355 -0.023 20 0 DBADRM CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000656004449 411985792 /nfs/dbraw/zinc/98/57/92/411985792.db2.gz PFCHMEBQQXXBSP-NXEZZACHSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)N(C[C@H]1CCC(=O)N1)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655998752 411985814 /nfs/dbraw/zinc/98/58/14/411985814.db2.gz BOKIGPPWLPJVDF-VHSXEESVSA-N -1 0 313.354 -0.661 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC(O)(C(F)F)CC1)C(=O)[O-] ZINC000656001508 411985849 /nfs/dbraw/zinc/98/58/49/411985849.db2.gz JGXWCUATPQNMQL-ZETCQYMHSA-N -1 0 308.281 -0.558 20 0 DBADRM CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000656002005 411985935 /nfs/dbraw/zinc/98/59/35/411985935.db2.gz RIZIMCCUSRPOKS-NXEZZACHSA-N -1 0 313.354 -0.707 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@@H](Oc2ccncc2)C1)C(=O)[O-] ZINC000655999283 411985961 /nfs/dbraw/zinc/98/59/61/411985961.db2.gz DOZSNSUGZIDDHD-ZYHUDNBSSA-N -1 0 321.333 -0.102 20 0 DBADRM CC(C)(C)n1nnc(CNC(=O)C(=O)NCCCC(=O)[O-])n1 ZINC000655998049 411985980 /nfs/dbraw/zinc/98/59/80/411985980.db2.gz SULZJWVVDGCNBI-UHFFFAOYSA-N -1 0 312.330 -0.975 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1)C(=O)[O-] ZINC000656008110 411986784 /nfs/dbraw/zinc/98/67/84/411986784.db2.gz QKKKOFVBYSRBTQ-NXEZZACHSA-N -1 0 308.338 -0.047 20 0 DBADRM CC(C)OC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CCO1 ZINC000656004703 411986909 /nfs/dbraw/zinc/98/69/09/411986909.db2.gz HIZDOCGYRLNEAX-MNOVXSKESA-N -1 0 316.354 -0.524 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1)C(=O)[O-] ZINC000656008113 411986928 /nfs/dbraw/zinc/98/69/28/411986928.db2.gz QKKKOFVBYSRBTQ-VHSXEESVSA-N -1 0 308.338 -0.047 20 0 DBADRM CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])[C@@H](C)CS(C)(=O)=O ZINC000656007975 411986941 /nfs/dbraw/zinc/98/69/41/411986941.db2.gz PESKGBPUQPLODG-BDAKNGLRSA-N -1 0 322.383 -0.895 20 0 DBADRM Cc1nccn1CCCN(C)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000656004870 411986952 /nfs/dbraw/zinc/98/69/52/411986952.db2.gz SVALLCAIXDOZMP-SNVBAGLBSA-N -1 0 310.354 -0.123 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@]1(C)CO)C(=O)[O-] ZINC000656011952 411987150 /nfs/dbraw/zinc/98/71/50/411987150.db2.gz VSGNDIJOKHDOAL-QMTHXVAHSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCC(=O)NCC1CC1)C(=O)[O-] ZINC000656011754 411987203 /nfs/dbraw/zinc/98/72/03/411987203.db2.gz QMLVLBUBKCJDCD-JTQLQIEISA-N -1 0 313.354 -0.898 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C2CC2)CC1)C(=O)[O-] ZINC000656010745 411987375 /nfs/dbraw/zinc/98/73/75/411987375.db2.gz QGBWRZCFSARZNZ-GFCCVEGCSA-N -1 0 311.382 -0.234 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC([C@@H]2CCOC2)C1)C(=O)[O-] ZINC000656009496 411987418 /nfs/dbraw/zinc/98/74/18/411987418.db2.gz XERLVGMUHYQCBA-PWSUYJOCSA-N -1 0 312.366 -0.046 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000656004689 411987436 /nfs/dbraw/zinc/98/74/36/411987436.db2.gz QFRBKZONJCXREI-QMMMGPOBSA-N -1 0 307.306 -0.761 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N(C)Cc1cnccn1)C(=O)[O-] ZINC000656012096 411987810 /nfs/dbraw/zinc/98/78/10/411987810.db2.gz ZFMUDFSBRVMZJU-LLVKDONJSA-N -1 0 308.338 -0.092 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@H](CO)C1)C(=O)[O-] ZINC000656012631 411987904 /nfs/dbraw/zinc/98/79/04/411987904.db2.gz HRKDRIQSSWVLST-OUAUKWLOSA-N -1 0 316.354 -0.932 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCn2cnnc2[C@H]1C)C(=O)[O-] ZINC000656012970 411989274 /nfs/dbraw/zinc/98/92/74/411989274.db2.gz KICSYXVTYWVCLU-NXEZZACHSA-N -1 0 323.353 -0.346 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)n1 ZINC000656102707 411995766 /nfs/dbraw/zinc/99/57/66/411995766.db2.gz NSAKGARPMSZTMK-PSASIEDQSA-N -1 0 324.337 -0.094 20 0 DBADRM CO[C@H](C[C@@H](NS(=O)(=O)c1cnnn1C)C(=O)[O-])C1CC1 ZINC000656166433 411996930 /nfs/dbraw/zinc/99/69/30/411996930.db2.gz GVYBTAOUTFHPAJ-RKDXNWHRSA-N -1 0 318.355 -0.638 20 0 DBADRM CO[C@@H](C[C@@H](NS(=O)(=O)c1cnnn1C)C(=O)[O-])C1CC1 ZINC000656166430 411997150 /nfs/dbraw/zinc/99/71/50/411997150.db2.gz GVYBTAOUTFHPAJ-BDAKNGLRSA-N -1 0 318.355 -0.638 20 0 DBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)c1ccc2c(c1)C(=O)CC2 ZINC000656156605 411997796 /nfs/dbraw/zinc/99/77/96/411997796.db2.gz NQVVZIHCNWECRS-LBPRGKRZSA-N -1 0 313.331 -0.071 20 0 DBADRM CO[C@@H](C[C@H](NS(=O)(=O)c1ccnn1C)C(=O)[O-])C1CC1 ZINC000656169077 411998514 /nfs/dbraw/zinc/99/85/14/411998514.db2.gz NRCGAMXWTKVSGF-UWVGGRQHSA-N -1 0 317.367 -0.033 20 0 DBADRM Cc1noc(CN(C)S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])n1 ZINC000656181664 411999577 /nfs/dbraw/zinc/99/95/77/411999577.db2.gz DWXLEDIMQGOIMK-MRVPVSSYSA-N -1 0 304.328 -0.396 20 0 DBADRM CO[C@H](C[C@H](NS(=O)(=O)c1cn(C)cn1)C(=O)[O-])C1CC1 ZINC000656169745 411999616 /nfs/dbraw/zinc/99/96/16/411999616.db2.gz QNJCDBLEVSCYCJ-VHSXEESVSA-N -1 0 317.367 -0.033 20 0 DBADRM COC1CCN(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)CC1 ZINC000656512328 412007291 /nfs/dbraw/zinc/00/72/91/412007291.db2.gz IKNPEYAXNFVYGX-UWVGGRQHSA-N -1 0 304.368 -0.039 20 0 DBADRM CCn1nccc1S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000656513936 412007701 /nfs/dbraw/zinc/00/77/01/412007701.db2.gz GGYIZEBOZYRZRE-ONGXEEELSA-N -1 0 317.367 -0.251 20 0 DBADRM CCOC[C@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-] ZINC000656516572 412007781 /nfs/dbraw/zinc/00/77/81/412007781.db2.gz DOVTYDLQZOVNEI-JTQLQIEISA-N -1 0 310.372 -0.579 20 0 DBADRM CCC1CCN(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])CC1 ZINC000656509060 412007876 /nfs/dbraw/zinc/00/78/76/412007876.db2.gz KAHVRCRUVATUKV-VIFPVBQESA-N -1 0 307.372 -0.729 20 0 DBADRM CCn1nccc1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000656513934 412007902 /nfs/dbraw/zinc/00/79/02/412007902.db2.gz GGYIZEBOZYRZRE-KOLCDFICSA-N -1 0 317.367 -0.251 20 0 DBADRM COC1CCN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000656517558 412007991 /nfs/dbraw/zinc/00/79/91/412007991.db2.gz ORUTWWHSHACWNL-JTQLQIEISA-N -1 0 308.356 -0.873 20 0 DBADRM COC[C@@H](C)CS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656561604 412008476 /nfs/dbraw/zinc/00/84/76/412008476.db2.gz JXVHEIKILGNYOX-CKYFFXLPSA-N -1 0 307.368 -0.368 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CC[C@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC000656563708 412008557 /nfs/dbraw/zinc/00/85/57/412008557.db2.gz WKAWPOOPPGRXCI-HBNTYKKESA-N -1 0 307.368 -0.226 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656562525 412008603 /nfs/dbraw/zinc/00/86/03/412008603.db2.gz RZYFNYLQTVCPSC-CKYFFXLPSA-N -1 0 307.368 -0.226 20 0 DBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)CCOCC(F)(F)F ZINC000656563594 412008627 /nfs/dbraw/zinc/00/86/27/412008627.db2.gz UNVHMQSJZUIPJU-ZETCQYMHSA-N -1 0 321.273 -0.320 20 0 DBADRM CO[C@H](CS(=O)(=O)NC[C@@](C)(O)C(=O)[O-])C1CCCC1 ZINC000656561820 412009566 /nfs/dbraw/zinc/00/95/66/412009566.db2.gz FHTGPNXILJHQQD-ZYHUDNBSSA-N -1 0 309.384 -0.053 20 0 DBADRM C[C@H]1OCC[C@H]1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656562793 412009625 /nfs/dbraw/zinc/00/96/25/412009625.db2.gz UMCVFHSAOQBBAF-DNRKLUKYSA-N -1 0 305.352 -0.473 20 0 DBADRM Cn1cnc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000656561497 412009757 /nfs/dbraw/zinc/00/97/57/412009757.db2.gz HGHOATJMSKURKK-LDYMZIIASA-N -1 0 301.324 -0.858 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)CCOCC(F)(F)F)CCOC1 ZINC000656564562 412010802 /nfs/dbraw/zinc/01/08/02/412010802.db2.gz RBNLFJVALFLECM-QMMMGPOBSA-N -1 0 321.273 -0.272 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656564579 412010868 /nfs/dbraw/zinc/01/08/68/412010868.db2.gz RPBLUXHDAZPPTM-BXKDBHETSA-N -1 0 315.351 -0.550 20 0 DBADRM C[C@@H]1C[C@@H](S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC000656564353 412010971 /nfs/dbraw/zinc/01/09/71/412010971.db2.gz KFZZMIBEFQBBEG-HNCHTBHHSA-N -1 0 319.379 -0.083 20 0 DBADRM CCn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)n1 ZINC000656635441 412011190 /nfs/dbraw/zinc/01/11/90/412011190.db2.gz YATRYIJQSDNKKP-UHFFFAOYSA-N -1 0 324.428 -0.074 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])c1 ZINC000656717939 412012050 /nfs/dbraw/zinc/01/20/50/412012050.db2.gz SGCCCQXGBYLZKV-SCZZXKLOSA-N -1 0 303.340 -0.016 20 0 DBADRM COC[C@@H](CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1)OC ZINC000656717715 412012115 /nfs/dbraw/zinc/01/21/15/412012115.db2.gz NQOSIYCEARXKCO-SECBINFHSA-N -1 0 321.355 -0.703 20 0 DBADRM CN(CC1=CCCOC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000656721685 412012129 /nfs/dbraw/zinc/01/21/29/412012129.db2.gz RTFKLASBTLSSSB-UHFFFAOYSA-N -1 0 315.351 -0.065 20 0 DBADRM C[C@]12COC[C@@H]1CN(S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)C2 ZINC000656728924 412012149 /nfs/dbraw/zinc/01/21/49/412012149.db2.gz LMKDREOKELLRQK-GVXVVHGQSA-N -1 0 318.395 -0.004 20 0 DBADRM CCn1cc(CNS(=O)(=O)c2csnc2C(=O)[O-])nn1 ZINC000656720931 412012266 /nfs/dbraw/zinc/01/22/66/412012266.db2.gz HBQWCWAJEZQDTE-UHFFFAOYSA-N -1 0 317.352 -0.069 20 0 DBADRM CN(C[C@H]1COCCO1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000656720852 412012284 /nfs/dbraw/zinc/01/22/84/412012284.db2.gz DXBSOSXQUDQWGV-MNOVXSKESA-N -1 0 322.383 -0.625 20 0 DBADRM CN(C[C@@H]1COCCO1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000656720949 412012309 /nfs/dbraw/zinc/01/23/09/412012309.db2.gz FSUNYZJQOUECSO-LLVKDONJSA-N -1 0 322.383 -0.625 20 0 DBADRM COC[C@H](CCNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])OC ZINC000656718962 412012385 /nfs/dbraw/zinc/01/23/85/412012385.db2.gz XNNYOMSBNBGLRQ-VHSXEESVSA-N -1 0 310.372 -0.579 20 0 DBADRM COc1cncc(S(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])c1 ZINC000656716027 412012390 /nfs/dbraw/zinc/01/23/90/412012390.db2.gz CVVRPQBEWLGDLT-ZJUUUORDSA-N -1 0 302.308 -0.389 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000656716850 412012442 /nfs/dbraw/zinc/01/24/42/412012442.db2.gz JSHGSMSHMZTWGQ-KYXWUPHJSA-N -1 0 308.356 -0.828 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCO[C@H]1CC1(F)F ZINC000656719505 412012655 /nfs/dbraw/zinc/01/26/55/412012655.db2.gz JOGXXBMLTJMQMT-YUMQZZPRSA-N -1 0 314.310 -0.206 20 0 DBADRM C[C@]12COC[C@@H]1CN(S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)C2 ZINC000656728927 412012730 /nfs/dbraw/zinc/01/27/30/412012730.db2.gz LMKDREOKELLRQK-MDZLAQPJSA-N -1 0 318.395 -0.004 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000656851149 412013338 /nfs/dbraw/zinc/01/33/38/412013338.db2.gz DTOXZYXWTXVGBB-PELKAZGASA-N -1 0 304.368 -0.363 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2ccccc2[O-])O1 ZINC000656934660 412018168 /nfs/dbraw/zinc/01/81/68/412018168.db2.gz KHYAVDSSNVDRBO-WPRPVWTQSA-N -1 0 300.336 -0.297 20 0 DBADRM CC(C)(CCS(=O)(=O)[N-]CC(F)(F)CO)S(C)(=O)=O ZINC000656964673 412018914 /nfs/dbraw/zinc/01/89/14/412018914.db2.gz YCKUQMBEGVDLMA-UHFFFAOYSA-N -1 0 323.383 -0.253 20 0 DBADRM CC[C@@H](O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000657017172 412024468 /nfs/dbraw/zinc/02/44/68/412024468.db2.gz LGKFUCKDXBHIOG-ZCFIWIBFSA-N -1 0 314.323 -0.515 20 0 DBADRM CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659058835 412076580 /nfs/dbraw/zinc/07/65/80/412076580.db2.gz PBPANJQQQUBQGY-MRVPVSSYSA-N -1 0 322.321 -0.441 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659058051 412076935 /nfs/dbraw/zinc/07/69/35/412076935.db2.gz HXCAEHYAJYDVAE-APPZFPTMSA-N -1 0 320.305 -0.641 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659057454 412076990 /nfs/dbraw/zinc/07/69/90/412076990.db2.gz IABRVPKLCZERFG-JTQLQIEISA-N -1 0 307.306 -0.052 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N[C@@H]1CCCCNC1=O ZINC000659052068 412077308 /nfs/dbraw/zinc/07/73/08/412077308.db2.gz SFHHQLMRRHHQML-SECBINFHSA-N -1 0 320.305 -0.497 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659057426 412077426 /nfs/dbraw/zinc/07/74/26/412077426.db2.gz HAFZANPDHWMCKK-SSDOTTSWSA-N -1 0 306.278 -0.935 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCC[C@@H](O)C2)n1 ZINC000659051245 412076256 /nfs/dbraw/zinc/07/62/56/412076256.db2.gz UWNTYKLJKBRPLR-SECBINFHSA-N -1 0 324.337 -0.375 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C[C@@H]1O ZINC000659055398 412076330 /nfs/dbraw/zinc/07/63/30/412076330.db2.gz HEDOKXYCYUUNOV-BDAKNGLRSA-N -1 0 324.337 -0.520 20 0 DBADRM CN(C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)C1CC(O)C1 ZINC000659057152 412076376 /nfs/dbraw/zinc/07/63/76/412076376.db2.gz CPOFQEMOYAOZKO-UHFFFAOYSA-N -1 0 324.337 -0.377 20 0 DBADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC000659234604 412083681 /nfs/dbraw/zinc/08/36/81/412083681.db2.gz ASJVXLQVIJLPRH-BXKDBHETSA-N -1 0 304.368 -0.219 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])nn1 ZINC000659238193 412083700 /nfs/dbraw/zinc/08/37/00/412083700.db2.gz UCOAUAUFWFTWDC-YGRLFVJLSA-N -1 0 323.353 -0.261 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])nn1 ZINC000659238191 412083774 /nfs/dbraw/zinc/08/37/74/412083774.db2.gz UCOAUAUFWFTWDC-IINYFYTJSA-N -1 0 323.353 -0.261 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659069427 412078016 /nfs/dbraw/zinc/07/80/16/412078016.db2.gz DRTRWHJNWSPYBH-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM CC(=O)NCc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000659062387 412078283 /nfs/dbraw/zinc/07/82/83/412078283.db2.gz GNMSEGDAPGRFQR-MRVPVSSYSA-N -1 0 307.306 -0.150 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659062812 412078536 /nfs/dbraw/zinc/07/85/36/412078536.db2.gz MIEIVJMEKYFXQD-KNVOCYPGSA-N -1 0 306.278 -0.902 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N[C@@]2(CC(=O)[O-])CCOC2)n1 ZINC000659152117 412080920 /nfs/dbraw/zinc/08/09/20/412080920.db2.gz QQOMJNICSYSXPM-CYBMUJFWSA-N -1 0 311.342 -0.279 20 0 DBADRM O=C([O-])C1(CNC(=O)c2ccn3nnnc3c2)CCOCC1 ZINC000659146604 412080942 /nfs/dbraw/zinc/08/09/42/412080942.db2.gz NZZWTKGQCDUGON-UHFFFAOYSA-N -1 0 305.294 -0.265 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC000659226600 412081103 /nfs/dbraw/zinc/08/11/03/412081103.db2.gz FDAMUOGEXHDAIP-DTWKUNHWSA-N -1 0 305.352 -0.298 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)[O-])nc2n1 ZINC000659171036 412081259 /nfs/dbraw/zinc/08/12/59/412081259.db2.gz GIJIKTWIMAETKF-BDAKNGLRSA-N -1 0 305.294 -0.287 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)C1(n2cnnn2)CCOCC1)C1CC1 ZINC000659210249 412081304 /nfs/dbraw/zinc/08/13/04/412081304.db2.gz TTXCHTPTPXUNBH-LLVKDONJSA-N -1 0 323.353 -0.204 20 0 DBADRM O=C(CNC(=O)NC1CCCCC1)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC000659172752 412081399 /nfs/dbraw/zinc/08/13/99/412081399.db2.gz MQFGXSPQMCLUHL-CMPLNLGQSA-N -1 0 313.354 -0.023 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)Cn1cnc2sccc2c1=O ZINC000659170383 412081710 /nfs/dbraw/zinc/08/17/10/412081710.db2.gz VRYHPCPNPWIBFT-WCBMZHEXSA-N -1 0 323.330 -0.184 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CNC(=O)Cc1ccccc1 ZINC000659170819 412081947 /nfs/dbraw/zinc/08/19/47/412081947.db2.gz AVXVGBPRWJDRCG-SMDDNHRTSA-N -1 0 306.318 -0.296 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000659410097 412086661 /nfs/dbraw/zinc/08/66/61/412086661.db2.gz ONZPBTSJZXIQRC-JLIMGVALSA-N -1 0 320.367 -0.649 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCCCC(=O)[O-] ZINC000659408298 412086771 /nfs/dbraw/zinc/08/67/71/412086771.db2.gz SCLXEMXTGSMJQS-BDAKNGLRSA-N -1 0 308.356 -0.648 20 0 DBADRM CCN1C[C@H](NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1=O ZINC000659402929 412086805 /nfs/dbraw/zinc/08/68/05/412086805.db2.gz BINVXKOAYHHHLK-GPCCPHFNSA-N -1 0 311.338 -0.650 20 0 DBADRM CN1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCC1=O ZINC000659409956 412086943 /nfs/dbraw/zinc/08/69/43/412086943.db2.gz MAESSYBMKIWNNQ-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM CCN1C[C@@H](NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1=O ZINC000659402930 412087785 /nfs/dbraw/zinc/08/77/85/412087785.db2.gz BINVXKOAYHHHLK-ISTVAULSSA-N -1 0 311.338 -0.650 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659395184 412087859 /nfs/dbraw/zinc/08/78/59/412087859.db2.gz GJFCRTHASIGQOA-GIPNMCIBSA-N -1 0 309.326 -0.591 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)C(=O)NCCCCCC(=O)[O-] ZINC000659655823 412098502 /nfs/dbraw/zinc/09/85/02/412098502.db2.gz NLBGNPNITYVGOO-LLVKDONJSA-N -1 0 316.354 -0.379 20 0 DBADRM CCC1(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000659650615 412098749 /nfs/dbraw/zinc/09/87/49/412098749.db2.gz CCQGLXOXKSDXSJ-MEBBXXQBSA-N -1 0 310.350 -0.148 20 0 DBADRM COCCOC[C@@H](C)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659654315 412098859 /nfs/dbraw/zinc/09/88/59/412098859.db2.gz KGHPASGSDCKLSB-SNVBAGLBSA-N -1 0 316.354 -0.475 20 0 DBADRM CN1CCC[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1=O ZINC000659651932 412099237 /nfs/dbraw/zinc/09/92/37/412099237.db2.gz FRJPPHQRAACFOS-SECBINFHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NC1CC(F)(F)C1)C2 ZINC000659653352 412099365 /nfs/dbraw/zinc/09/93/65/412099365.db2.gz SPJJDAZHVWALNY-JMCQJSRRSA-N -1 0 318.276 -0.540 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC000659655961 412099367 /nfs/dbraw/zinc/09/93/67/412099367.db2.gz GUAJAJFTOYULAL-UHFFFAOYSA-N -1 0 308.338 -0.550 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCC1CCCC1)C2 ZINC000659646565 412099440 /nfs/dbraw/zinc/09/94/40/412099440.db2.gz IRURXSPCEFCMFX-IAQYHMDHSA-N -1 0 310.350 -0.148 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NCCO[C@H]1CC1(F)F)C(=O)[O-] ZINC000659662920 412099754 /nfs/dbraw/zinc/09/97/54/412099754.db2.gz HRECWRIFZIJLJI-SFYZADRCSA-N -1 0 308.281 -0.294 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)C(=O)N[C@H]2CCNC2=O)c1 ZINC000659659306 412099862 /nfs/dbraw/zinc/09/98/62/412099862.db2.gz HRTTXJXMYZRFCT-JTQLQIEISA-N -1 0 305.290 -0.994 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)CCO1 ZINC000659666443 412099940 /nfs/dbraw/zinc/09/99/40/412099940.db2.gz ZPMRGESTGRSRAQ-NOOOWODRSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1c(C2CC2)cnn1C)C(=O)[O-] ZINC000659661728 412100009 /nfs/dbraw/zinc/10/00/09/412100009.db2.gz LEKDZUVTSDJXPY-QMMMGPOBSA-N -1 0 308.338 -0.249 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)nn1 ZINC000659664084 412100177 /nfs/dbraw/zinc/10/01/77/412100177.db2.gz PEOZQLZUBWZPOH-VHSXEESVSA-N -1 0 323.353 -0.517 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCCO[C@@H]2CC2(F)F)CCC1 ZINC000659662947 412100368 /nfs/dbraw/zinc/10/03/68/412100368.db2.gz ILLPRSRRJHUHCW-MRVPVSSYSA-N -1 0 320.292 -0.102 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCNC1=O)CC(=O)[O-] ZINC000659664247 412100421 /nfs/dbraw/zinc/10/04/21/412100421.db2.gz NLJRIRNIIKIAIL-UWVGGRQHSA-N -1 0 313.354 -0.756 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCCc2ccoc2)CCOCC1 ZINC000659666454 412100521 /nfs/dbraw/zinc/10/05/21/412100521.db2.gz ZUAQHZLFKKVMPU-UHFFFAOYSA-N -1 0 324.333 -0.064 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)N(C)CCC(=O)[O-])CC1 ZINC000659665925 412100529 /nfs/dbraw/zinc/10/05/29/412100529.db2.gz VWRBETHSLRBGBB-UHFFFAOYSA-N -1 0 320.367 -0.997 20 0 DBADRM CC1(C)[C@H](CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1(F)F ZINC000659663525 412100647 /nfs/dbraw/zinc/10/06/47/412100647.db2.gz GDSQFDXRUYBKOQ-YUMQZZPRSA-N -1 0 320.292 -0.294 20 0 DBADRM C[C@@H](CO)CCCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659656585 412100722 /nfs/dbraw/zinc/10/07/22/412100722.db2.gz KMBUELNXXRKSON-SNVBAGLBSA-N -1 0 300.355 -0.118 20 0 DBADRM C[C@@]1(CCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1(F)F ZINC000659665934 412100772 /nfs/dbraw/zinc/10/07/72/412100772.db2.gz SRZXXERZSPWKLF-QPUJVOFHSA-N -1 0 320.292 -0.150 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCc3nccnc3C2)C1 ZINC000659659980 412100793 /nfs/dbraw/zinc/10/07/93/412100793.db2.gz FHRGBFTVLABYGG-ZJUUUORDSA-N -1 0 318.333 -0.269 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NCCO[C@H]1CC1(F)F)C(=O)[O-] ZINC000659662921 412100834 /nfs/dbraw/zinc/10/08/34/412100834.db2.gz HRECWRIFZIJLJI-YUMQZZPRSA-N -1 0 308.281 -0.294 20 0 DBADRM COCCOC1CN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659671083 412101695 /nfs/dbraw/zinc/10/16/95/412101695.db2.gz RCTBEWRZOXORLI-UHFFFAOYSA-N -1 0 314.338 -0.769 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659669649 412101863 /nfs/dbraw/zinc/10/18/63/412101863.db2.gz BMVGTHVMRUQJSX-SNVBAGLBSA-N -1 0 314.338 -0.769 20 0 DBADRM C[C@@H]1c2nncn2CCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659667631 412102307 /nfs/dbraw/zinc/10/23/07/412102307.db2.gz CHABQIVWWWLKRR-SECBINFHSA-N -1 0 321.337 -0.448 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659776563 412122524 /nfs/dbraw/zinc/12/25/24/412122524.db2.gz KZZITMVODNFVPY-FEUHOPSXSA-N -1 0 322.317 -0.043 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC000659763809 412122553 /nfs/dbraw/zinc/12/25/53/412122553.db2.gz JGTPJRMKJOJSKO-WDEREUQCSA-N -1 0 323.353 -0.252 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CCN1C(=O)CCC1=O)C2 ZINC000659777564 412122610 /nfs/dbraw/zinc/12/26/10/412122610.db2.gz DUTALLHWWNILBO-YMTOWFKASA-N -1 0 310.306 -0.915 20 0 DBADRM CCN(C(=O)c1cc(S(N)(=O)=O)cn1C)[C@H](C)C(=O)[O-] ZINC000659775812 412122737 /nfs/dbraw/zinc/12/27/37/412122737.db2.gz MSJGJBICYXYQEG-SSDOTTSWSA-N -1 0 303.340 -0.392 20 0 DBADRM CCN(C(=O)Cn1cnc2c(cnn2C)c1=O)[C@@H](C)C(=O)[O-] ZINC000659775612 412122954 /nfs/dbraw/zinc/12/29/54/412122954.db2.gz KVWJOGCPBCPBTA-QMMMGPOBSA-N -1 0 307.310 -0.548 20 0 DBADRM CCN(C(=O)c1cc(S(N)(=O)=O)cn1C)[C@@H](C)C(=O)[O-] ZINC000659775826 412123291 /nfs/dbraw/zinc/12/32/91/412123291.db2.gz MSJGJBICYXYQEG-ZETCQYMHSA-N -1 0 303.340 -0.392 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000659761324 412123374 /nfs/dbraw/zinc/12/33/74/412123374.db2.gz ZMPDUWFROZROIU-LLVKDONJSA-N -1 0 319.317 0.000 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659783904 412123965 /nfs/dbraw/zinc/12/39/65/412123965.db2.gz CTFUYDWXEFFCAJ-UHFFFAOYSA-N -1 0 317.305 -0.187 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCCCC(=O)[O-])C[C@H]21 ZINC000659783238 412124177 /nfs/dbraw/zinc/12/41/77/412124177.db2.gz OWRRJWPUJGXWFH-AXFHLTTASA-N -1 0 319.379 -0.098 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC000659779082 412124289 /nfs/dbraw/zinc/12/42/89/412124289.db2.gz CEHKMWPAHNSVNX-MEBBXXQBSA-N -1 0 319.317 -0.386 20 0 DBADRM Cc1n[nH]c(=O)c(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1C ZINC000659778525 412124664 /nfs/dbraw/zinc/12/46/64/412124664.db2.gz JUEMQSVQCPRHIR-YMTOWFKASA-N -1 0 307.306 -0.028 20 0 DBADRM CNS(=O)(=O)c1ccc(CN2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000659785753 412124947 /nfs/dbraw/zinc/12/49/47/412124947.db2.gz HQBMRYCABUKTKG-GFCCVEGCSA-N -1 0 314.363 -0.120 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@@H]1CC(=O)N(C3CC3)C1)C2 ZINC000659778422 412125193 /nfs/dbraw/zinc/12/51/93/412125193.db2.gz XWXYAXOSBIJQER-IQMDTDKHSA-N -1 0 308.334 -0.443 20 0 DBADRM Cn1ncc2c1nc(N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)nc2N ZINC000662885671 412207397 /nfs/dbraw/zinc/20/73/97/412207397.db2.gz KMAALCVVVRFTLU-FUXBKTLASA-N -1 0 304.310 -0.517 20 0 DBADRM CN(Cc1ccoc1)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662903111 412208585 /nfs/dbraw/zinc/20/85/85/412208585.db2.gz ARWJMBNXEOATSY-IAQYHMDHSA-N -1 0 322.317 -0.202 20 0 DBADRM NS(=O)(=O)c1cccnc1N[C@@H]1C[C@H](C(=O)[O-])C[C@H]1O ZINC000662894623 412208607 /nfs/dbraw/zinc/20/86/07/412208607.db2.gz AXHFOYXYNWYLOO-XLPZGREQSA-N -1 0 301.324 -0.635 20 0 DBADRM C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662903560 412209390 /nfs/dbraw/zinc/20/93/90/412209390.db2.gz XTRBDETVZNSKTJ-UEKVPHQBSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H](C1CC1)N(C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662904761 412209457 /nfs/dbraw/zinc/20/94/57/412209457.db2.gz ZLBJOFOVHPCZLY-ZVWUFJHRSA-N -1 0 310.350 -0.197 20 0 DBADRM NC(=O)c1cn([C@@H]2CCN(c3ccnc(C(=O)[O-])c3)C2)nn1 ZINC000662900376 412209661 /nfs/dbraw/zinc/20/96/61/412209661.db2.gz LIFKXLBLSHBHHS-SECBINFHSA-N -1 0 302.294 -0.078 20 0 DBADRM NS(=O)(=O)c1cnc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)s1 ZINC000662897862 412209681 /nfs/dbraw/zinc/20/96/81/412209681.db2.gz YNJGGGGDAIYPER-JKUQZMGJSA-N -1 0 307.353 -0.574 20 0 DBADRM C[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662903558 412210040 /nfs/dbraw/zinc/21/00/40/412210040.db2.gz XTRBDETVZNSKTJ-FIXISWKDSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCOC3)C1 ZINC000662913846 412210725 /nfs/dbraw/zinc/21/07/25/412210725.db2.gz NOQKBDUWVBIFQS-NHYWBVRUSA-N -1 0 310.350 -0.051 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1)C(=O)[O-] ZINC000662913034 412210746 /nfs/dbraw/zinc/21/07/46/412210746.db2.gz JKFYNDZNZWNICM-MNOVXSKESA-N -1 0 323.353 -0.694 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N(C)C[C@H]1COCCO1)C(=O)[O-] ZINC000662913081 412211091 /nfs/dbraw/zinc/21/10/91/412211091.db2.gz JTASQKFJTWUKGQ-ZJUUUORDSA-N -1 0 302.327 -0.961 20 0 DBADRM C[C@@]12COC[C@]1(C)CN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)C2 ZINC000662911838 412211716 /nfs/dbraw/zinc/21/17/16/412211716.db2.gz DUOZIWROSKMHNS-NZVBXONLSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)C2 ZINC000662914641 412212660 /nfs/dbraw/zinc/21/26/60/412212660.db2.gz SHOOPXKPOJACRJ-HFAKWTLXSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)[C@@H]1CCO ZINC000662915956 412212886 /nfs/dbraw/zinc/21/28/86/412212886.db2.gz PWRUJQAKRYNMCE-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1n[n-]c(=O)o1 ZINC000660849905 412147531 /nfs/dbraw/zinc/14/75/31/412147531.db2.gz IBOZNJKIOHMMHZ-UHFFFAOYSA-N -1 0 323.353 -0.712 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)CN(C)Cc2n[n-]c(=O)o2)C1 ZINC000660849344 412148318 /nfs/dbraw/zinc/14/83/18/412148318.db2.gz XJCHFDXKSWFFGF-SNVBAGLBSA-N -1 0 311.342 -0.666 20 0 DBADRM O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000314890465 412165625 /nfs/dbraw/zinc/16/56/25/412165625.db2.gz MKFLVFFUBRXEFT-JTQLQIEISA-N -1 0 314.367 -0.578 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCN(C(=O)N3CCCC3)CC2)C1=O ZINC000662203251 412171030 /nfs/dbraw/zinc/17/10/30/412171030.db2.gz PNQJJMJYDQPMKW-GFCCVEGCSA-N -1 0 324.381 -0.495 20 0 DBADRM NC(=O)c1ccc(NC(=O)CCN2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000662205571 412171546 /nfs/dbraw/zinc/17/15/46/412171546.db2.gz QJSFLZCIESSOPZ-GFCCVEGCSA-N -1 0 321.333 -0.101 20 0 DBADRM O=C([O-])CN1CC[C@H](N2C[C@H](CO)Oc3ccccc32)C1=O ZINC000662207037 412171683 /nfs/dbraw/zinc/17/16/83/412171683.db2.gz UPSLKUOEOKTEQT-PWSUYJOCSA-N -1 0 306.318 -0.068 20 0 DBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC000663041236 412223896 /nfs/dbraw/zinc/22/38/96/412223896.db2.gz VZXJWDPIFXSTDJ-WPRPVWTQSA-N -1 0 319.383 -0.871 20 0 DBADRM CC(=O)NCCN(C(=O)c1ncnc2[nH]ccc21)[C@@H](C)C(=O)[O-] ZINC000663024646 412223964 /nfs/dbraw/zinc/22/39/64/412223964.db2.gz BKULEJBOZWIYDT-QMMMGPOBSA-N -1 0 319.321 -0.039 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000663036744 412224186 /nfs/dbraw/zinc/22/41/86/412224186.db2.gz CJRUDWPKGHGOAD-LLVKDONJSA-N -1 0 302.308 -0.238 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@](C)(OC)C(=O)[O-])C1 ZINC000663047854 412224190 /nfs/dbraw/zinc/22/41/90/412224190.db2.gz FYLPWXRXWAZYIX-KCJUWKMLSA-N -1 0 308.356 -0.984 20 0 DBADRM CC(C)C[C@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663022411 412224507 /nfs/dbraw/zinc/22/45/07/412224507.db2.gz JSQYGXJVCDBKFQ-UWVGGRQHSA-N -1 0 321.399 -0.483 20 0 DBADRM C[C@@](O)(CNC(=O)[C@]1(c2ccccc2)CNC(=O)C1)C(=O)[O-] ZINC000663028272 412224576 /nfs/dbraw/zinc/22/45/76/412224576.db2.gz YTOZJTSIFTYUQS-CABCVRRESA-N -1 0 306.318 -0.604 20 0 DBADRM NC(=O)CNC(=O)c1ccc(NC(=O)[C@H](C(=O)[O-])C2CC2)cc1 ZINC000663077404 412225033 /nfs/dbraw/zinc/22/50/33/412225033.db2.gz MVJBAPIBWJLDPH-GFCCVEGCSA-N -1 0 319.317 -0.049 20 0 DBADRM CC(C)(CCNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663057178 412225072 /nfs/dbraw/zinc/22/50/72/412225072.db2.gz GLCVCHSJCZVHHW-VIFPVBQESA-N -1 0 321.399 -0.481 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000663070110 412225117 /nfs/dbraw/zinc/22/51/17/412225117.db2.gz LMSMIIJMVPRXAZ-LBPRGKRZSA-N -1 0 306.384 -0.069 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C1(C(=O)[O-])CC=CC1 ZINC000663073193 412225156 /nfs/dbraw/zinc/22/51/56/412225156.db2.gz ZHGXCJSDQPODCD-JTQLQIEISA-N -1 0 323.349 -0.739 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)CN2CCN(C3CC3)C2=O)cn1 ZINC000663058666 412225280 /nfs/dbraw/zinc/22/52/80/412225280.db2.gz PSBMJZIAORGSSG-UHFFFAOYSA-N -1 0 307.310 -0.194 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2nc(C)ns2)CC1 ZINC000663064062 412225296 /nfs/dbraw/zinc/22/52/96/412225296.db2.gz VJDIPKNSPBCGIV-GFCCVEGCSA-N -1 0 314.367 -0.015 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)O1 ZINC000663059112 412225319 /nfs/dbraw/zinc/22/53/19/412225319.db2.gz BBSCIKPTBIRWLA-NEPJUHHUSA-N -1 0 322.317 -0.087 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC000663063507 412225366 /nfs/dbraw/zinc/22/53/66/412225366.db2.gz SBMNPRYJMHCATH-JTQLQIEISA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663062269 412225395 /nfs/dbraw/zinc/22/53/95/412225395.db2.gz STQPPMLPVPRVPZ-HBNTYKKESA-N -1 0 318.395 -0.069 20 0 DBADRM Cc1ccoc1CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000663054094 412225509 /nfs/dbraw/zinc/22/55/09/412225509.db2.gz IJJFINHWRNYAJR-SECBINFHSA-N -1 0 301.320 -0.159 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000663052953 412225562 /nfs/dbraw/zinc/22/55/62/412225562.db2.gz YSALSWIZSJTTKU-ZANVPECISA-N -1 0 318.395 -0.115 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC000663063184 412225580 /nfs/dbraw/zinc/22/55/80/412225580.db2.gz JSJVBNYAMQIMMH-UWVGGRQHSA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC000663063372 412225586 /nfs/dbraw/zinc/22/55/86/412225586.db2.gz FUPHEIPLDKSENJ-NXEZZACHSA-N -1 0 304.368 -0.363 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@](C)(OC)C(=O)[O-])C1 ZINC000663062649 412225588 /nfs/dbraw/zinc/22/55/88/412225588.db2.gz HVQWUXXKROWPCH-LDYMZIIASA-N -1 0 308.356 -0.984 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC000663063182 412225698 /nfs/dbraw/zinc/22/56/98/412225698.db2.gz JSJVBNYAMQIMMH-NXEZZACHSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@]1(C2CCN(C(=O)[C@@H](C(=O)[O-])C3CC3)CC2)NC(=O)NC1=O ZINC000663063364 412225704 /nfs/dbraw/zinc/22/57/04/412225704.db2.gz QNARJPASSUFGBW-BONVTDFDSA-N -1 0 323.349 -0.066 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)O1 ZINC000663059115 412225757 /nfs/dbraw/zinc/22/57/57/412225757.db2.gz BBSCIKPTBIRWLA-RYUDHWBXSA-N -1 0 322.317 -0.087 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000663084409 412226216 /nfs/dbraw/zinc/22/62/16/412226216.db2.gz UNTRVGLZDLGSNB-TVQRCGJNSA-N -1 0 310.310 -0.869 20 0 DBADRM CC(C)[C@@H](CNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663122145 412226329 /nfs/dbraw/zinc/22/63/29/412226329.db2.gz ZOVXACGDOBTFGU-NXEZZACHSA-N -1 0 321.399 -0.625 20 0 DBADRM CCN(C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)[C@H](C)C(=O)[O-] ZINC000663126722 412226483 /nfs/dbraw/zinc/22/64/83/412226483.db2.gz YOIRRBGMRLGPDE-SSDOTTSWSA-N -1 0 320.305 -0.031 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000663096306 412226641 /nfs/dbraw/zinc/22/66/41/412226641.db2.gz KLJIKDCDRXVUOA-LNLATYFQSA-N -1 0 307.368 -0.052 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000663111423 412226650 /nfs/dbraw/zinc/22/66/50/412226650.db2.gz OGMCEIVCJGHSKX-HZMBPMFUSA-N -1 0 310.354 -0.005 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@]3(C(=O)[O-])CC3(C)C)CCN2C1=O ZINC000663088609 412226769 /nfs/dbraw/zinc/22/67/69/412226769.db2.gz JMKJGDICZXUSFK-VFZGTOFNSA-N -1 0 323.349 -0.018 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)NC2(CC(=O)[O-])CCC2)C1 ZINC000663119219 412226811 /nfs/dbraw/zinc/22/68/11/412226811.db2.gz JIPGYQNJDYENOM-SECBINFHSA-N -1 0 319.383 -0.585 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000663127170 412226864 /nfs/dbraw/zinc/22/68/64/412226864.db2.gz HQJKRFQKINLWKR-UTINFBMNSA-N -1 0 305.352 -0.585 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000663100145 412226877 /nfs/dbraw/zinc/22/68/77/412226877.db2.gz GZXKKWVHSTXMST-PRHODGIISA-N -1 0 304.368 -0.363 20 0 DBADRM CCN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@H](C)C(=O)[O-] ZINC000663126840 412226904 /nfs/dbraw/zinc/22/69/04/412226904.db2.gz ZUFIVHLZWJEECW-BDAKNGLRSA-N -1 0 307.372 -0.777 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)co1 ZINC000663133357 412227332 /nfs/dbraw/zinc/22/73/32/412227332.db2.gz QYMVSKONXDRKOW-LLVKDONJSA-N -1 0 318.307 -0.839 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)C(=O)NCc2ccc(F)cc2)CCOC1 ZINC000663130848 412227603 /nfs/dbraw/zinc/22/76/03/412227603.db2.gz NUZAFGMZFFUEAV-CQSZACIVSA-N -1 0 310.281 -0.198 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)co1 ZINC000663133358 412227612 /nfs/dbraw/zinc/22/76/12/412227612.db2.gz QYMVSKONXDRKOW-NSHDSACASA-N -1 0 318.307 -0.839 20 0 DBADRM NC(=O)c1ccc(OCC(=O)NC2(C(=O)[O-])CCOCC2)cc1 ZINC000663142177 412227730 /nfs/dbraw/zinc/22/77/30/412227730.db2.gz FZVRYGMSRJVOLK-UHFFFAOYSA-N -1 0 322.317 -0.086 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000663130146 412227787 /nfs/dbraw/zinc/22/77/87/412227787.db2.gz AZYUTGAXYXHTJJ-ISTVAULSSA-N -1 0 313.354 -0.227 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@@H](C(=O)[O-])C3CC3)C[C@H]21 ZINC000663134888 412227892 /nfs/dbraw/zinc/22/78/92/412227892.db2.gz IHDXUMUEOZHHTQ-VLEAKVRGSA-N -1 0 317.363 -0.632 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000663130918 412227922 /nfs/dbraw/zinc/22/79/22/412227922.db2.gz PDIWUNBWEPERJA-GFCCVEGCSA-N -1 0 314.319 -0.693 20 0 DBADRM CCS(=O)(=O)NCC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000663128617 412228013 /nfs/dbraw/zinc/22/80/13/412228013.db2.gz ONLVIARMQDZYIZ-UHFFFAOYSA-N -1 0 318.355 -0.419 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C1(n2cnnn2)CCOCC1)C1CCC1 ZINC000663159164 412228515 /nfs/dbraw/zinc/22/85/15/412228515.db2.gz WLKFJAGZXSZJLG-NSHDSACASA-N -1 0 323.353 -0.204 20 0 DBADRM COc1cccn2c(=O)n([C@@H]3CCN(CC(=O)[O-])C3=O)nc12 ZINC000663220444 412229278 /nfs/dbraw/zinc/22/92/78/412229278.db2.gz RJEKXOPNMWCOIF-MRVPVSSYSA-N -1 0 306.278 -0.637 20 0 DBADRM Cc1nc(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)nn1-c1nc[nH]n1 ZINC000663151882 412229332 /nfs/dbraw/zinc/22/93/32/412229332.db2.gz GELDQSCZXXRXNZ-SECBINFHSA-N -1 0 319.325 -0.075 20 0 DBADRM CCc1nc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cn1CC1CC1 ZINC000663289589 412230207 /nfs/dbraw/zinc/23/02/07/412230207.db2.gz LJBZKMPQZLSIRT-SECBINFHSA-N -1 0 317.367 -0.421 20 0 DBADRM CCCCS(=O)(=O)N1Cc2nnc(C)n2C[C@@H]1C(=O)[O-] ZINC000663252164 412230357 /nfs/dbraw/zinc/23/03/57/412230357.db2.gz BTNLZNHXPKGIBY-SECBINFHSA-N -1 0 302.356 -0.015 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CC2(CCOCC2)[C@H]1C(=O)[O-] ZINC000663286349 412230550 /nfs/dbraw/zinc/23/05/50/412230550.db2.gz BMWPLTRTJMIFJN-SNVBAGLBSA-N -1 0 315.351 -0.028 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)[O-])N(S(=O)(=O)c1ccoc1)C2 ZINC000663252242 412230670 /nfs/dbraw/zinc/23/06/70/412230670.db2.gz DSPOXMFIIJDGAS-VIFPVBQESA-N -1 0 312.307 -0.163 20 0 DBADRM C[C@@](NC(=O)CN1CCNCC1=O)(C(=O)[O-])c1ccccc1 ZINC000663278968 412231235 /nfs/dbraw/zinc/23/12/35/412231235.db2.gz CVIWQXCRGGNWQN-HNNXBMFYSA-N -1 0 305.334 -0.466 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000663434429 412232861 /nfs/dbraw/zinc/23/28/61/412232861.db2.gz BPYSLNGVZZRYPP-ZKCHVHJHSA-N -1 0 301.324 -0.193 20 0 DBADRM C=CCC[C@@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000316256077 412235611 /nfs/dbraw/zinc/23/56/11/412235611.db2.gz DJXDFVXXNCBUIL-NXEZZACHSA-N -1 0 304.368 -0.054 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCN(C2CC2)CC1)C1CCC1 ZINC000663634356 412236517 /nfs/dbraw/zinc/23/65/17/412236517.db2.gz JUHFIJPJKHVJMM-CYBMUJFWSA-N -1 0 323.393 -0.090 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663634791 412236608 /nfs/dbraw/zinc/23/66/08/412236608.db2.gz MUOYQNCXKDFKGW-KOLCDFICSA-N -1 0 300.355 -0.167 20 0 DBADRM CN(Cc1cc[nH]n1)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663628965 412236808 /nfs/dbraw/zinc/23/68/08/412236808.db2.gz GOEOLGWSHLUENX-NSHDSACASA-N -1 0 308.338 -0.015 20 0 DBADRM C[C@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)C(=O)N(C)C ZINC000663626632 412236927 /nfs/dbraw/zinc/23/69/27/412236927.db2.gz XINTVOXNWWBYNH-WCBMZHEXSA-N -1 0 313.354 -0.804 20 0 DBADRM Cn1cc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)cn1 ZINC000663620708 412237009 /nfs/dbraw/zinc/23/70/09/412237009.db2.gz QPLONMYUZNUOFJ-NSHDSACASA-N -1 0 308.338 -0.347 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)NCCOCCF)C1CCC1 ZINC000663630841 412237106 /nfs/dbraw/zinc/23/71/06/412237106.db2.gz QKADLAPPOSPKPQ-SNVBAGLBSA-N -1 0 304.318 -0.294 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCOCCF)C[C@@H]1C(=O)[O-] ZINC000663628547 412237119 /nfs/dbraw/zinc/23/71/19/412237119.db2.gz DCSJJXXMGCBHMT-UWVGGRQHSA-N -1 0 304.318 -0.342 20 0 DBADRM Cc1ccc(-n2[n-]nnc2=NC[C@@]2(OCCO)CCOC2)cc1 ZINC000664240404 412249885 /nfs/dbraw/zinc/24/98/85/412249885.db2.gz YIFJHJOCOZVKDK-HNNXBMFYSA-N -1 0 319.365 -0.027 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@H](C(=O)[O-])C2CCC2)O1 ZINC000665308198 412305387 /nfs/dbraw/zinc/30/53/87/412305387.db2.gz XBHBDINJGGQMIP-DCAQKATOSA-N -1 0 313.354 -0.181 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CCO1 ZINC000665323000 412309030 /nfs/dbraw/zinc/30/90/30/412309030.db2.gz SHZNFXSESDBDDD-QWRGUYRKSA-N -1 0 313.354 -0.356 20 0 DBADRM CNC(=O)c1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)cn1 ZINC000431647139 412326729 /nfs/dbraw/zinc/32/67/29/412326729.db2.gz BTSRFZPTPUYBPE-UHFFFAOYSA-N -1 0 303.278 -0.025 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)Nc2ccn(C)n2)C1=O ZINC000417755875 412344584 /nfs/dbraw/zinc/34/45/84/412344584.db2.gz MCRCWVHUVXTKFP-ONGXEEELSA-N -1 0 323.353 0.252 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](Nc2ccc(C(N)=O)nn2)C1=O ZINC000416448650 412345244 /nfs/dbraw/zinc/34/52/44/412345244.db2.gz UNXNWQKMGIZFSJ-ONGXEEELSA-N -1 0 321.337 -0.303 20 0 DBADRM CC(C)[C@@H](Nc1cnc(C(=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000416410812 412345415 /nfs/dbraw/zinc/34/54/15/412345415.db2.gz HFDNQABHDHKOHK-GFCCVEGCSA-N -1 0 308.338 0.470 20 0 DBADRM Cc1cc(C)n2nc(C(=O)Nc3ccn(CC(=O)[O-])n3)nc2n1 ZINC000362604501 412350541 /nfs/dbraw/zinc/35/05/41/412350541.db2.gz UIZCNUJSMPGRQM-UHFFFAOYSA-N -1 0 315.293 0.275 20 0 DBADRM CNc1nnc(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)s1 ZINC000546832544 412352329 /nfs/dbraw/zinc/35/23/29/412352329.db2.gz LIWDNUMJUUKGJH-SSDOTTSWSA-N -1 0 308.371 0.042 20 0 DBADRM CNc1nnc(CC(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)s1 ZINC000567957993 412352808 /nfs/dbraw/zinc/35/28/08/412352808.db2.gz VNZGTRHEXXDCFW-UHFFFAOYSA-N -1 0 323.382 0.352 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)nn1C ZINC000573197665 412363543 /nfs/dbraw/zinc/36/35/43/412363543.db2.gz QKOIGJGKJFERCM-ZUZCIYMTSA-N -1 0 320.349 0.380 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC000362594469 412372945 /nfs/dbraw/zinc/37/29/45/412372945.db2.gz TWAHZFLLZLTXSJ-SNVBAGLBSA-N -1 0 308.338 0.555 20 0 DBADRM O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000665491818 412375280 /nfs/dbraw/zinc/37/52/80/412375280.db2.gz IMCBVFLUABDMQH-SNVBAGLBSA-N -1 0 323.330 -0.053 20 0 DBADRM Cc1cc(NC(=O)CN(C)C(=O)c2cnc(C(=O)[O-])cn2)no1 ZINC000439903958 412384728 /nfs/dbraw/zinc/38/47/28/412384728.db2.gz QOLLFGBKCZWNQS-UHFFFAOYSA-N -1 0 319.277 0.182 20 0 DBADRM CCNc1ncc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)s1 ZINC000433242470 412415845 /nfs/dbraw/zinc/41/58/45/412415845.db2.gz UKEWKIFFBSMICP-UHFFFAOYSA-N -1 0 316.368 0.349 20 0 DBADRM COC(=O)c1ccc(=NC(=O)NCc2ccc(N)nc2)[n-]n1 ZINC000619802989 412479976 /nfs/dbraw/zinc/47/99/76/412479976.db2.gz UIYOPZHQTXPEQP-UHFFFAOYSA-N -1 0 302.294 -0.016 20 0 DBADRM CCOC(=O)Cn1cnc(=NC(=O)NCc2ccc(N)nc2)[n-]1 ZINC000425710006 412489085 /nfs/dbraw/zinc/48/90/85/412489085.db2.gz KKOYIZIGVUHHLA-UHFFFAOYSA-N -1 0 319.325 -0.438 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccn([C@@H](C)COC)n1)C(=O)[O-] ZINC000567867292 412444644 /nfs/dbraw/zinc/44/46/44/412444644.db2.gz LWFKOXNVFZAQMF-DTWKUNHWSA-N -1 0 312.326 0.008 20 0 DBADRM COc1nc(NCCCCS(N)(=O)=O)ccc1C(=O)[O-] ZINC000570399828 412455771 /nfs/dbraw/zinc/45/57/71/412455771.db2.gz MELMOJWFMCHPKV-UHFFFAOYSA-N -1 0 303.340 0.269 20 0 DBADRM COc1nc(N[C@H]2CCN(S(C)(=O)=O)C2)ccc1C(=O)[O-] ZINC000584535545 412456146 /nfs/dbraw/zinc/45/61/46/412456146.db2.gz OGAMVBJVYQMKKX-QMMMGPOBSA-N -1 0 315.351 0.234 20 0 DBADRM COc1nc(NCCCNS(C)(=O)=O)ccc1C(=O)[O-] ZINC000565543056 412457012 /nfs/dbraw/zinc/45/70/12/412457012.db2.gz HVZGWMWCIBSWJB-UHFFFAOYSA-N -1 0 303.340 0.140 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNc2ncc(C(=O)[O-])cn2)C1 ZINC000566976025 412458674 /nfs/dbraw/zinc/45/86/74/412458674.db2.gz MGYOQWAZRDVLQL-QMMMGPOBSA-N -1 0 300.340 -0.132 20 0 DBADRM CS(=O)(=O)c1nnc(NC(=O)c2cc3c(cn2)OCCC3)[n-]1 ZINC000360842188 412459703 /nfs/dbraw/zinc/45/97/03/412459703.db2.gz MIPAHZOZZCMEOV-UHFFFAOYSA-N -1 0 323.334 0.181 20 0 DBADRM CCc1nnc2ccc(NCCn3cc(C(=O)[O-])nn3)nn21 ZINC000584056136 412459960 /nfs/dbraw/zinc/45/99/60/412459960.db2.gz GINHRNCXRSOISV-UHFFFAOYSA-N -1 0 302.298 0.089 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC000573123465 412460333 /nfs/dbraw/zinc/46/03/33/412460333.db2.gz HKWXAFDSIKCSBO-WPRPVWTQSA-N -1 0 314.367 0.305 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC000573123463 412460364 /nfs/dbraw/zinc/46/03/64/412460364.db2.gz HKWXAFDSIKCSBO-WCBMZHEXSA-N -1 0 314.367 0.305 20 0 DBADRM CCn1ccnc(N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1=O ZINC000416442678 412464410 /nfs/dbraw/zinc/46/44/10/412464410.db2.gz FYOZGZVYRQIUGY-QWRGUYRKSA-N -1 0 322.365 0.385 20 0 DBADRM COC(=O)COCCNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000600400965 418939842 /nfs/dbraw/zinc/93/98/42/418939842.db2.gz ZEBZXUMPOHQBBI-UHFFFAOYSA-N -1 0 321.289 -0.051 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)c1ccc(C(=O)[O-])nc1 ZINC000390397316 418942287 /nfs/dbraw/zinc/94/22/87/418942287.db2.gz RZXLMPCAFSWPAC-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM Cn1nncc1S(=O)(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000650396568 418942458 /nfs/dbraw/zinc/94/24/58/418942458.db2.gz SZDDUDQBMPUSJC-KYZUINATSA-N -1 0 302.356 -0.016 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-] ZINC000650400795 418942477 /nfs/dbraw/zinc/94/24/77/418942477.db2.gz NYQPOZNFUCVERS-QMMMGPOBSA-N -1 0 300.296 -0.618 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000650402855 418942627 /nfs/dbraw/zinc/94/26/27/418942627.db2.gz VFAUCYWRKQWMDL-INTQDDNPSA-N -1 0 317.367 -0.487 20 0 DBADRM Cn1nncc1S(=O)(=O)NCc1nc(C(=O)[O-])cs1 ZINC000650413376 418942824 /nfs/dbraw/zinc/94/28/24/418942824.db2.gz ODVCIWZDRCCFQH-UHFFFAOYSA-N -1 0 303.325 -0.552 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000650402854 418942857 /nfs/dbraw/zinc/94/28/57/418942857.db2.gz VFAUCYWRKQWMDL-GDPRMGEGSA-N -1 0 317.367 -0.487 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000650446129 418946883 /nfs/dbraw/zinc/94/68/83/418946883.db2.gz KKJPPLGHJLSDRT-VXNVDRBHSA-N -1 0 303.340 -0.409 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000650445657 418947016 /nfs/dbraw/zinc/94/70/16/418947016.db2.gz QOTZVBVJKKXJMW-HZGVNTEJSA-N -1 0 303.340 -0.111 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnc3n2CCC3)C[C@H](C(=O)[O-])O1 ZINC000650445912 418947130 /nfs/dbraw/zinc/94/71/30/418947130.db2.gz AYDKFHIZLJQATF-RKDXNWHRSA-N -1 0 315.351 -0.308 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCN(CCO)CC1 ZINC000666190383 418978250 /nfs/dbraw/zinc/97/82/50/418978250.db2.gz MHWXEPJDSATQEB-UHFFFAOYSA-N -1 0 318.333 -0.220 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000666366537 418980856 /nfs/dbraw/zinc/98/08/56/418980856.db2.gz AKJUBHWFMYXVOR-KXUCPTDWSA-N -1 0 304.368 -0.220 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@@H]1OC ZINC000666542882 418983469 /nfs/dbraw/zinc/98/34/69/418983469.db2.gz CNQPHLCEYVOVHM-ZDCRXTMVSA-N -1 0 302.327 -0.326 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000668287647 544424663 /nfs/dbraw/zinc/42/46/63/544424663.db2.gz HYCOCCRPECNTDJ-SNVBAGLBSA-N -1 0 302.290 -0.023 20 0 DBADRM Cn1cc(CN2CCN(C(=O)c3cc(=O)n(C)[n-]3)CC2)cn1 ZINC000668367507 544430162 /nfs/dbraw/zinc/43/01/62/544430162.db2.gz BOBUFMSDSKIMAX-UHFFFAOYSA-N -1 0 304.354 -0.183 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)cc1C(N)=O ZINC000092181761 544446602 /nfs/dbraw/zinc/44/66/02/544446602.db2.gz JJEJBVZVXZXASV-HTQZYQBOSA-N -1 0 313.335 -0.568 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000230911648 544471044 /nfs/dbraw/zinc/47/10/44/544471044.db2.gz IJWZODZGIGAQHW-KXUCPTDWSA-N -1 0 304.368 -0.220 20 0 DBADRM NC(=O)N1CC[C@H](NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000668662598 544472142 /nfs/dbraw/zinc/47/21/42/544472142.db2.gz BJBDNDKDSBQEBD-JTQLQIEISA-N -1 0 317.305 -0.087 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000262248099 544473682 /nfs/dbraw/zinc/47/36/82/544473682.db2.gz BGKFSUHJZKPRCM-VHSXEESVSA-N -1 0 322.383 -0.594 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)nn1 ZINC000675987471 544542501 /nfs/dbraw/zinc/54/25/01/544542501.db2.gz XYWOARNNFWAJSA-SNVBAGLBSA-N -1 0 311.342 -0.405 20 0 DBADRM C[C@@H](CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])n1ccnc1 ZINC000653289978 544502791 /nfs/dbraw/zinc/50/27/91/544502791.db2.gz FHUYPKSSGASBBN-UWVGGRQHSA-N -1 0 315.351 -0.456 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000668872560 544508003 /nfs/dbraw/zinc/50/80/03/544508003.db2.gz TTWMYBBLCDFSCC-MRVPVSSYSA-N -1 0 316.387 -0.587 20 0 DBADRM CC[C@@](C)(NC(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000094227125 544519067 /nfs/dbraw/zinc/51/90/67/544519067.db2.gz ZYMCYBIZIQGFKY-LLVKDONJSA-N -1 0 309.388 -0.133 20 0 DBADRM COC[C@@]1(C(=O)OC)CCCN1C(=O)CSCC(=O)[O-] ZINC000595996842 544519821 /nfs/dbraw/zinc/51/98/21/544519821.db2.gz GJJQMYJPIFPUSW-GFCCVEGCSA-N -1 0 305.352 -0.015 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2cc(=O)n(C)[n-]2)C(=O)N1c1cnn(C)c1 ZINC000669360508 544555215 /nfs/dbraw/zinc/55/52/15/544555215.db2.gz GWOIWIZJNGNCLM-KWQFWETISA-N -1 0 318.337 -0.217 20 0 DBADRM COCC[C@@H](NC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)[O-] ZINC000262298742 292632128 /nfs/dbraw/zinc/63/21/28/292632128.db2.gz NDPOYMOZMAWXMF-SECBINFHSA-N -1 0 307.368 -0.050 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000085411902 544573264 /nfs/dbraw/zinc/57/32/64/544573264.db2.gz ZFSVHXCIXUQCPX-IUCAKERBSA-N -1 0 304.368 -0.553 20 0 DBADRM COC[C@H](CNC(=O)NCC1(C(=O)[O-])CCOCC1)OC ZINC000234727902 544591774 /nfs/dbraw/zinc/59/17/74/544591774.db2.gz BZYPQFADUYPNRY-JTQLQIEISA-N -1 0 304.343 -0.172 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC000146344811 544587933 /nfs/dbraw/zinc/58/79/33/544587933.db2.gz JWHZABHHLNKTGG-UHFFFAOYSA-N -1 0 315.355 -0.897 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000235031992 544593526 /nfs/dbraw/zinc/59/35/26/544593526.db2.gz MGJHSUSTJAQZQI-ZJUUUORDSA-N -1 0 304.368 -0.409 20 0 DBADRM CS(=O)(=O)Nc1ccc(C(=O)NCCOCC(=O)[O-])cc1 ZINC000093226495 544607028 /nfs/dbraw/zinc/60/70/28/544607028.db2.gz KLGIRMPWRWXYGG-UHFFFAOYSA-N -1 0 316.335 -0.111 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000167653810 544601632 /nfs/dbraw/zinc/60/16/32/544601632.db2.gz JQLYIDJKMMOPPF-SECBINFHSA-N -1 0 300.336 -0.137 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000097053111 544618306 /nfs/dbraw/zinc/61/83/06/544618306.db2.gz IJWZODZGIGAQHW-IVZWLZJFSA-N -1 0 304.368 -0.220 20 0 DBADRM CCn1cc(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])nn1 ZINC000404476224 544647072 /nfs/dbraw/zinc/64/70/72/544647072.db2.gz WXNFPHACXMZSSG-UHFFFAOYSA-N -1 0 300.300 -0.802 20 0 DBADRM CC(C)C[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-] ZINC000262643717 544663089 /nfs/dbraw/zinc/66/30/89/544663089.db2.gz IAUJSMRLGTXLGZ-SECBINFHSA-N -1 0 311.342 -0.405 20 0 DBADRM CN1C[C@H](NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1=O ZINC000386885332 544672660 /nfs/dbraw/zinc/67/26/60/544672660.db2.gz DHADUVQWPBUJJG-SNVBAGLBSA-N -1 0 312.347 -0.177 20 0 DBADRM CN(Cc1nnc2ccccn21)C(=O)c1cnc([O-])n(C)c1=O ZINC000674368350 544675629 /nfs/dbraw/zinc/67/56/29/544675629.db2.gz CPHCKHWQMIMXGP-UHFFFAOYSA-N -1 0 314.305 -0.199 20 0 DBADRM CCCN(C(=O)NCCNS(=O)(=O)CC)[C@@H](C)C(=O)[O-] ZINC000654800197 544677231 /nfs/dbraw/zinc/67/72/31/544677231.db2.gz IXLLYONBRVXSTD-VIFPVBQESA-N -1 0 309.388 -0.180 20 0 DBADRM CC(C)(CNC(=O)N1CCC[C@H]1C(=O)[O-])NS(C)(=O)=O ZINC000111774699 544679863 /nfs/dbraw/zinc/67/98/63/544679863.db2.gz HMVBFCQRWCGXOB-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000390196766 544690312 /nfs/dbraw/zinc/69/03/12/544690312.db2.gz UVFQQLZIYRSONZ-SECBINFHSA-N -1 0 309.388 -0.418 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1 ZINC000681586348 544694313 /nfs/dbraw/zinc/69/43/13/544694313.db2.gz LOQZYNKNFQWHEP-VIFPVBQESA-N -1 0 315.351 -0.164 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2nccn3nnnc23)C1=O ZINC000668171829 544757582 /nfs/dbraw/zinc/75/75/82/544757582.db2.gz FIEQNBVLIFEIKN-DTWKUNHWSA-N -1 0 319.325 -0.359 20 0 DBADRM CO[C@]1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCOC1 ZINC000317654883 544739376 /nfs/dbraw/zinc/73/93/76/544739376.db2.gz SNBZKQFWKNPGEY-AWEZNQCLSA-N -1 0 316.354 -0.028 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)COCCOC)ccc1[O-] ZINC000673448287 544801839 /nfs/dbraw/zinc/80/18/39/544801839.db2.gz CTRYDLINUMBARK-UHFFFAOYSA-N -1 0 318.351 -0.098 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000673943185 544815216 /nfs/dbraw/zinc/81/52/16/544815216.db2.gz DFAJKVLVPTWLPY-UHFFFAOYSA-N -1 0 319.387 -0.723 20 0 DBADRM C[C@@H]1Oc2ccccc2N(CC(=O)NCc2n[nH]c(=O)[n-]2)C1=O ZINC000673949571 544816953 /nfs/dbraw/zinc/81/69/53/544816953.db2.gz QELPGGSDQMMEEY-QMMMGPOBSA-N -1 0 317.305 -0.059 20 0 DBADRM C[C@@H]1C(=O)Nc2cc(C(=O)NCc3nnn[n-]3)ccc2N1C ZINC000674241948 544821597 /nfs/dbraw/zinc/82/15/97/544821597.db2.gz HPPRBQHMFWFLSP-SSDOTTSWSA-N -1 0 301.310 -0.094 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000675989120 544856479 /nfs/dbraw/zinc/85/64/79/544856479.db2.gz FYHDOAAIVXEDOY-MRVPVSSYSA-N -1 0 300.336 -0.192 20 0 DBADRM CN(CC(=O)[O-])C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000676206350 544858390 /nfs/dbraw/zinc/85/83/90/544858390.db2.gz UYZUIGPGLZCQTL-UHFFFAOYSA-N -1 0 318.289 -0.011 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Cn2cc(Br)cn2)CCO1 ZINC000676213769 544859622 /nfs/dbraw/zinc/85/96/22/544859622.db2.gz GPPQHZQDKMRFIT-MRVPVSSYSA-N -1 0 318.127 -0.042 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000676214973 544859717 /nfs/dbraw/zinc/85/97/17/544859717.db2.gz LNJKEBVCJHFBFV-NSHDSACASA-N -1 0 308.290 -0.524 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@]23CCC(=O)N2CCS3)CCO1 ZINC000676214192 544859761 /nfs/dbraw/zinc/85/97/61/544859761.db2.gz QCVZGELLVOBMOX-QPUJVOFHSA-N -1 0 300.336 -0.636 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000676214971 544859794 /nfs/dbraw/zinc/85/97/94/544859794.db2.gz LNJKEBVCJHFBFV-LLVKDONJSA-N -1 0 308.290 -0.524 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000676207968 544859823 /nfs/dbraw/zinc/85/98/23/544859823.db2.gz CBOVFRWMVOPGOP-LBPRGKRZSA-N -1 0 302.352 -0.389 20 0 DBADRM NC(=O)c1cccc(OCCC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000676214331 544859937 /nfs/dbraw/zinc/85/99/37/544859937.db2.gz UFSLXDKODKUISM-LBPRGKRZSA-N -1 0 322.317 -0.134 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N1CCO[C@@H](C(=O)[O-])C1)n1cccn1 ZINC000676215896 544860089 /nfs/dbraw/zinc/86/00/89/544860089.db2.gz QWQWKHIXIUHGGE-WDEREUQCSA-N -1 0 324.337 -0.786 20 0 DBADRM NC(=O)C1(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1 ZINC000676674159 544875941 /nfs/dbraw/zinc/87/59/41/544875941.db2.gz SFCZGDLGQTWDFH-UHFFFAOYSA-N -1 0 303.278 -0.426 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1[O-] ZINC000676692516 544876021 /nfs/dbraw/zinc/87/60/21/544876021.db2.gz AYMRAOSBYYSJRD-SECBINFHSA-N -1 0 316.383 -0.175 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1[O-] ZINC000676706258 544876924 /nfs/dbraw/zinc/87/69/24/544876924.db2.gz KJGBTNQOQYDSQE-UHFFFAOYSA-N -1 0 321.381 -0.196 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000680492239 544949991 /nfs/dbraw/zinc/94/99/91/544949991.db2.gz GOUZMCVWSBCEDL-LLVKDONJSA-N -1 0 313.354 -0.563 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)CN2CCCS2(=O)=O)n1 ZINC000678974167 544924285 /nfs/dbraw/zinc/92/42/85/544924285.db2.gz USNJDXZBPDOGCQ-UHFFFAOYSA-N -1 0 319.364 -0.256 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N(CC(=O)[O-])CC1CC1 ZINC000678976898 544924535 /nfs/dbraw/zinc/92/45/35/544924535.db2.gz LOYODHVCEVEZCL-UHFFFAOYSA-N -1 0 322.383 -0.735 20 0 DBADRM O=C(CN1CCCS1(=O)=O)NCC1(C(=O)[O-])CCCC1 ZINC000678983841 544924617 /nfs/dbraw/zinc/92/46/17/544924617.db2.gz ZCZLKNBKNOLKJN-UHFFFAOYSA-N -1 0 304.368 -0.217 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)c1[O-] ZINC000679238059 544927404 /nfs/dbraw/zinc/92/74/04/544927404.db2.gz XMMMQIPMHUOWLG-GFCCVEGCSA-N -1 0 324.381 -0.013 20 0 DBADRM CN(CC(=O)[O-])C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000679544651 544933555 /nfs/dbraw/zinc/93/35/55/544933555.db2.gz SHRAFATUEMDNSQ-UHFFFAOYSA-N -1 0 301.324 -0.440 20 0 DBADRM CN(CC(=O)[O-])C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000679554640 544933565 /nfs/dbraw/zinc/93/35/65/544933565.db2.gz CEJKXIPENHDZOI-UHFFFAOYSA-N -1 0 307.372 -0.616 20 0 DBADRM CN(CC(=O)[O-])C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000679539591 544933677 /nfs/dbraw/zinc/93/36/77/544933677.db2.gz AYQZGQJDGFQKKS-UHFFFAOYSA-N -1 0 315.351 -0.309 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(c2ncccc2C(=O)[O-])CC1 ZINC000680072332 544943782 /nfs/dbraw/zinc/94/37/82/544943782.db2.gz GFSNVRBIVAFVMT-UHFFFAOYSA-N -1 0 320.349 -0.047 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000680319342 544946212 /nfs/dbraw/zinc/94/62/12/544946212.db2.gz XFQPUSYKPDCZMH-NSHDSACASA-N -1 0 324.366 -0.703 20 0 DBADRM COC[C@H](C)C(=O)N1CCO[C@H](CN(CC(=O)[O-])C(C)=O)C1 ZINC000681943906 544988241 /nfs/dbraw/zinc/98/82/41/544988241.db2.gz PSNNDONSMMEWRW-JQWIXIFHSA-N -1 0 316.354 -0.571 20 0 DBADRM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC000681944374 544988997 /nfs/dbraw/zinc/98/89/97/544988997.db2.gz YCQYLEKSZRBCRS-LBPRGKRZSA-N -1 0 324.337 -0.956 20 0 DBADRM C[C@@](O)(CNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-] ZINC000681129557 544964444 /nfs/dbraw/zinc/96/44/44/544964444.db2.gz MEOFHCNTFCPSSW-ZUZCIYMTSA-N -1 0 321.333 -0.618 20 0 DBADRM CN1CC[C@@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)C1=O ZINC000681245993 544967959 /nfs/dbraw/zinc/96/79/59/544967959.db2.gz PVFJJGPWEXXIRD-YFKPBYRVSA-N -1 0 319.368 -0.674 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1CCCN1S(C)(=O)=O)c1nnn[n-]1 ZINC000681353952 544970971 /nfs/dbraw/zinc/97/09/71/544970971.db2.gz YUVPIWDDLLBNAV-BDAKNGLRSA-N -1 0 316.387 -0.814 20 0 DBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC000681562546 544974971 /nfs/dbraw/zinc/97/49/71/544974971.db2.gz WANJECZSIXDQCL-VIFPVBQESA-N -1 0 319.383 -0.341 20 0 DBADRM Cc1noc2ncc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc12 ZINC000681557688 544974978 /nfs/dbraw/zinc/97/49/78/544974978.db2.gz LPJJTYKSYUWVMB-QMMMGPOBSA-N -1 0 301.280 -0.745 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])CCO1 ZINC000681587516 544975660 /nfs/dbraw/zinc/97/56/60/544975660.db2.gz BYMYXONVIHGIMS-JTQLQIEISA-N -1 0 322.383 -0.483 20 0 DBADRM CC(C)c1nc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c[nH]1 ZINC000681564009 544975703 /nfs/dbraw/zinc/97/57/03/544975703.db2.gz FCMYFHMBNPMIIQ-SSDOTTSWSA-N -1 0 318.355 -0.470 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N(CCO)CCC(=O)[O-])c1C ZINC000681584767 544975920 /nfs/dbraw/zinc/97/59/20/544975920.db2.gz LZMRLPYFZRIEME-UHFFFAOYSA-N -1 0 319.383 -0.022 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cccc2c1OCCO2)C(=O)[O-] ZINC000681580224 544975989 /nfs/dbraw/zinc/97/59/89/544975989.db2.gz FNRBCGKZJUODPM-MRVPVSSYSA-N -1 0 317.319 -0.164 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])cc1 ZINC000681585277 544975999 /nfs/dbraw/zinc/97/59/99/544975999.db2.gz YRXYXCYDLNHZJV-UHFFFAOYSA-N -1 0 316.335 -0.757 20 0 DBADRM CCn1cc(S(=O)(=O)N(CCO)CCC(=O)[O-])nc1C ZINC000681585385 544976023 /nfs/dbraw/zinc/97/60/23/544976023.db2.gz UMRZIGKGSBBXQB-UHFFFAOYSA-N -1 0 305.356 -0.331 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)CC[C@H]1CCCO1)[C@H]1CCOC1 ZINC000681566002 544976129 /nfs/dbraw/zinc/97/61/29/544976129.db2.gz DRGDMTHDJWVSMC-HBNTYKKESA-N -1 0 307.368 -0.035 20 0 DBADRM CN(C1CCN(C(=O)C2CC(C(=O)[O-])C2)CC1)S(C)(=O)=O ZINC000682701256 545004043 /nfs/dbraw/zinc/00/40/43/545004043.db2.gz GCPHYQYGDQKDSL-UHFFFAOYSA-N -1 0 318.395 -0.020 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cn1 ZINC000682807099 545005339 /nfs/dbraw/zinc/00/53/39/545005339.db2.gz PEAWZODOPIHJFC-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM CCO[C@@H]1C[C@](O)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1(C)C ZINC000682821579 545005794 /nfs/dbraw/zinc/00/57/94/545005794.db2.gz PRWTUYOTNNEWEM-UHLUBPPHSA-N -1 0 312.326 -0.421 20 0 DBADRM O=C(N[C@@H](CO)Cc1ccc(F)cc1)c1n[nH]c(=O)[n-]c1=O ZINC000682992164 545007665 /nfs/dbraw/zinc/00/76/65/545007665.db2.gz XOVMPINUKLBSCR-SECBINFHSA-N -1 0 308.269 -0.245 20 0 DBADRM CCCN(CC1CC1)S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000683730727 545012669 /nfs/dbraw/zinc/01/26/69/545012669.db2.gz VEIANQGXKWFDKE-UHFFFAOYSA-N -1 0 321.399 -0.466 20 0 DBADRM CN(CCN1CCOC(C)(C)C1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000684069689 545016673 /nfs/dbraw/zinc/01/66/73/545016673.db2.gz TVDMNRAWGRTWHE-UHFFFAOYSA-N -1 0 311.342 -0.534 20 0 DBADRM CN1CC[C@@H](C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)C1=O ZINC000684492865 545021100 /nfs/dbraw/zinc/02/11/00/545021100.db2.gz NDMBMBWCFHDZKV-JTQLQIEISA-N -1 0 302.294 -0.215 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)NCc2nnnn2C2CC2)CCSC1 ZINC000684735024 545023201 /nfs/dbraw/zinc/02/32/01/545023201.db2.gz KAHGYIFWDCJMSC-LLVKDONJSA-N -1 0 312.355 -0.233 20 0 DBADRM O=C([O-])[C@]1(NC(=O)NCc2nnnn2C2CC2)CCSC1 ZINC000684735047 545023217 /nfs/dbraw/zinc/02/32/17/545023217.db2.gz KAHGYIFWDCJMSC-NSHDSACASA-N -1 0 312.355 -0.233 20 0 DBADRM C/C=C/C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC000684721230 545023393 /nfs/dbraw/zinc/02/33/93/545023393.db2.gz ODFDYFRDDVFTQS-ORAHPGNNSA-N -1 0 321.399 -0.014 20 0 DBADRM O=C([O-])[C@@H](NC(=O)NCc1nnnn1C1CC1)C1CCOCC1 ZINC000684739317 545023425 /nfs/dbraw/zinc/02/34/25/545023425.db2.gz DAJCNVCOQGXJHP-NSHDSACASA-N -1 0 324.341 -0.313 20 0 DBADRM Cc1ccc(NC(=O)N[C@H](CO)C(=O)[O-])cc1S(C)(=O)=O ZINC000684749115 545023794 /nfs/dbraw/zinc/02/37/94/545023794.db2.gz WRPGJTUWIUHXHY-SECBINFHSA-N -1 0 316.335 -0.034 20 0 DBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)N2CCOCC2)CC1(F)F ZINC000685208697 545028452 /nfs/dbraw/zinc/02/84/52/545028452.db2.gz RDKKVEBRBNURAH-MRVPVSSYSA-N -1 0 314.310 -0.395 20 0 DBADRM O=c1nc(CCNS(=O)(=O)C2Cc3ccccc3C2)[n-]o1 ZINC000685598437 545033459 /nfs/dbraw/zinc/03/34/59/545033459.db2.gz MDGSIYDRDKUUSM-UHFFFAOYSA-N -1 0 309.347 -0.008 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)CCO1 ZINC000685897891 545034881 /nfs/dbraw/zinc/03/48/81/545034881.db2.gz WWSMXSKCBMOFDW-BXKDBHETSA-N -1 0 304.368 -0.252 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000037433324 545036397 /nfs/dbraw/zinc/03/63/97/545036397.db2.gz MTPGQWGIICWPLV-SNVBAGLBSA-N -1 0 304.368 -0.266 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])cc1C(N)=O ZINC000042161753 545036619 /nfs/dbraw/zinc/03/66/19/545036619.db2.gz MWFMVTKIPARHCZ-QMMMGPOBSA-N -1 0 315.351 -0.248 20 0 DBADRM Cc1cc(NC(=O)CN(C)C(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)no1 ZINC000389477426 545037819 /nfs/dbraw/zinc/03/78/19/545037819.db2.gz WOBRBDZJCZMPFX-IUCAKERBSA-N -1 0 311.294 -0.566 20 0 DBADRM Cc1cc(NC(=O)CN(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)no1 ZINC000389477424 545038068 /nfs/dbraw/zinc/03/80/68/545038068.db2.gz WOBRBDZJCZMPFX-BDAKNGLRSA-N -1 0 311.294 -0.566 20 0 DBADRM C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)[N-]CC(F)(F)F ZINC000192016325 265668148 /nfs/dbraw/zinc/66/81/48/265668148.db2.gz OOYZEYUWWZMBJF-BQBZGAKWSA-N -1 0 303.306 -0.031 20 0 DBADRM Cc1nc(CNS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)no1 ZINC000231788011 265676093 /nfs/dbraw/zinc/67/60/93/265676093.db2.gz WWLHWJVSAZVEFV-MRVPVSSYSA-N -1 0 304.328 -0.491 20 0 DBADRM CCCNS(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417448799 265746051 /nfs/dbraw/zinc/74/60/51/265746051.db2.gz WLVULTNPZOINNI-VHSXEESVSA-N -1 0 321.399 -0.470 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCC(C)(C)O)C1 ZINC000422700891 265879054 /nfs/dbraw/zinc/87/90/54/265879054.db2.gz CNRHETWYTNCLHH-ZJUUUORDSA-N -1 0 300.355 -0.167 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000422877737 265882814 /nfs/dbraw/zinc/88/28/14/265882814.db2.gz IEQGECIYPDLVEK-OTYXRUKQSA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000422877735 265882844 /nfs/dbraw/zinc/88/28/44/265882844.db2.gz IEQGECIYPDLVEK-LKFCYVNXSA-N -1 0 312.322 -0.669 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424245581 265928207 /nfs/dbraw/zinc/92/82/07/265928207.db2.gz PGNXVMRFUDMWAY-SNVBAGLBSA-N -1 0 315.351 -0.790 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1ccco1 ZINC000424383204 265931043 /nfs/dbraw/zinc/93/10/43/265931043.db2.gz ASRWSRURLNGDRK-LURJTMIESA-N -1 0 314.279 -0.766 20 0 DBADRM COCC[C@@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424396720 265931605 /nfs/dbraw/zinc/93/16/05/265931605.db2.gz QUECDICPQVONDJ-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM CC(C)C[C@H](CNC(=O)N1CC[C@@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000424403689 265931672 /nfs/dbraw/zinc/93/16/72/265931672.db2.gz BKDNXSTVNJDQKO-NXEZZACHSA-N -1 0 321.399 -0.194 20 0 DBADRM CC(C)OCCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424391895 265931723 /nfs/dbraw/zinc/93/17/23/265931723.db2.gz ROOSWRQIAQPDAH-JTQLQIEISA-N -1 0 322.383 -0.305 20 0 DBADRM COCC[C@@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424396717 265931896 /nfs/dbraw/zinc/93/18/96/265931896.db2.gz QUECDICPQVONDJ-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM COCC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424394484 265931990 /nfs/dbraw/zinc/93/19/90/265931990.db2.gz DBIRAEJMBAYIOY-VIFPVBQESA-N -1 0 322.383 -0.448 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCSC2)CCS1(=O)=O ZINC000424413356 265932918 /nfs/dbraw/zinc/93/29/18/265932918.db2.gz QXIGPKJUCFDDBT-YUMQZZPRSA-N -1 0 308.381 -0.615 20 0 DBADRM CNC(=O)c1cccnc1N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424468512 265934724 /nfs/dbraw/zinc/93/47/24/265934724.db2.gz JGUZQLVHFNNDQH-SECBINFHSA-N -1 0 313.335 -0.871 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CCC(CO)CC1)C(=O)[O-] ZINC000424484272 265936587 /nfs/dbraw/zinc/93/65/87/265936587.db2.gz TULALLZZSBZLHZ-UHFFFAOYSA-N -1 0 300.355 -0.166 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424474895 265936691 /nfs/dbraw/zinc/93/66/91/265936691.db2.gz BFXIYHODJZBYGE-UHFFFAOYSA-N -1 0 315.370 -0.508 20 0 DBADRM CC(C)Oc1cc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)ncn1 ZINC000424481200 265936707 /nfs/dbraw/zinc/93/67/07/265936707.db2.gz ZDXCDVOMQGADAN-VIFPVBQESA-N -1 0 315.351 -0.048 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCCc1cn(C)cn1)C(=O)[O-] ZINC000424488685 265937575 /nfs/dbraw/zinc/93/75/75/265937575.db2.gz MWYUAWOSHYCDPM-NSHDSACASA-N -1 0 324.381 -0.058 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424517826 265937741 /nfs/dbraw/zinc/93/77/41/265937741.db2.gz MAYDMQDUHDFYDH-VIFPVBQESA-N -1 0 311.342 -0.600 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424487637 265938292 /nfs/dbraw/zinc/93/82/92/265938292.db2.gz KMMCVWAXTJXPNT-FFVOIRBGSA-N -1 0 306.384 -0.513 20 0 DBADRM C[C@@H](C(=O)NCc1ccccc1)S(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000429895614 265996022 /nfs/dbraw/zinc/99/60/22/265996022.db2.gz BNUAEUGFFYHLFK-QMMMGPOBSA-N -1 0 310.335 -0.011 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000432719036 266034508 /nfs/dbraw/zinc/03/45/08/266034508.db2.gz RUCQPSIPILDKFR-SSDOTTSWSA-N -1 0 305.360 -0.910 20 0 DBADRM CCOC[C@@H](O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000433365150 266041349 /nfs/dbraw/zinc/04/13/49/266041349.db2.gz PFUHJVWUIHZXRY-QMMMGPOBSA-N -1 0 308.294 -0.437 20 0 DBADRM CNC(=O)c1ccc(CNC(=O)c2cnc([O-])n(C)c2=O)cc1 ZINC000434863179 266057743 /nfs/dbraw/zinc/05/77/43/266057743.db2.gz BJKQZXXZTSUUQW-UHFFFAOYSA-N -1 0 316.317 -0.225 20 0 DBADRM CN1CCN(CC(=O)N=c2nc(C(C)(C)C)[n-]s2)CC1=O ZINC000436409849 266067851 /nfs/dbraw/zinc/06/78/51/266067851.db2.gz IZZARKFKTCTXGV-UHFFFAOYSA-N -1 0 311.411 -0.030 20 0 DBADRM C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436694377 266070108 /nfs/dbraw/zinc/07/01/08/266070108.db2.gz CBLMEOFESZQSEY-MRVPVSSYSA-N -1 0 302.352 -0.247 20 0 DBADRM COC(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436696467 266070544 /nfs/dbraw/zinc/07/05/44/266070544.db2.gz IPULSLVCTQEZPH-UHFFFAOYSA-N -1 0 316.335 -0.455 20 0 DBADRM NC(=O)CN(CC(N)=O)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436861008 266072919 /nfs/dbraw/zinc/07/29/19/266072919.db2.gz YWBSEWVMTJIWHE-UHFFFAOYSA-N -1 0 303.677 -0.403 20 0 DBADRM CNC(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000438875269 266083510 /nfs/dbraw/zinc/08/35/10/266083510.db2.gz GOFSCTQBLNMWRF-UHFFFAOYSA-N -1 0 318.321 -0.224 20 0 DBADRM CCOC(=O)[C@@]1(COC)CCCN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000439468300 266090481 /nfs/dbraw/zinc/09/04/81/266090481.db2.gz LDPKVEPBIWIDQT-AWEZNQCLSA-N -1 0 312.370 -0.100 20 0 DBADRM COC(=O)[C@@]1(NS(=O)(=O)[N-]CC(F)(F)F)CCOC1 ZINC000443013343 266133757 /nfs/dbraw/zinc/13/37/57/266133757.db2.gz VYRJUWQXESNPKT-SSDOTTSWSA-N -1 0 306.262 -0.695 20 0 DBADRM Cn1cnc([N-]S(=O)(=O)c2cnc3n2CCC3)c1C(N)=O ZINC000442601326 266126361 /nfs/dbraw/zinc/12/63/61/266126361.db2.gz GHFJICWTXSYCGO-UHFFFAOYSA-N -1 0 310.339 -0.538 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)O1 ZINC000442661613 266126906 /nfs/dbraw/zinc/12/69/06/266126906.db2.gz CMVOLHORDNVRFL-VPOLOUISSA-N -1 0 314.338 -0.629 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CN1CCN(CC)C(=O)C1=O ZINC000442745651 266128144 /nfs/dbraw/zinc/12/81/44/266128144.db2.gz WMPVEVGZKRUGMF-SNVBAGLBSA-N -1 0 313.354 -0.611 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N[C@@H]1CCCS(=O)(=O)C1 ZINC000442942487 266132935 /nfs/dbraw/zinc/13/29/35/266132935.db2.gz KJBFZDSALGSZQE-ZCFIWIBFSA-N -1 0 310.319 -0.450 20 0 DBADRM CN1CCO[C@H]2CN(S(=O)(=O)[N-]CC(F)(F)F)C[C@@H]21 ZINC000443009377 266133148 /nfs/dbraw/zinc/13/31/48/266133148.db2.gz YGVAQAZLVPTAQI-YUMQZZPRSA-N -1 0 303.306 -0.602 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N[C@H]1CCCS(=O)(=O)C1 ZINC000442942485 266133599 /nfs/dbraw/zinc/13/35/99/266133599.db2.gz KJBFZDSALGSZQE-LURJTMIESA-N -1 0 310.319 -0.450 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NC[C@H](O)C1CCOCC1 ZINC000442951958 266134077 /nfs/dbraw/zinc/13/40/77/266134077.db2.gz PYOXFPVLZYDLPX-QMMMGPOBSA-N -1 0 306.306 -0.240 20 0 DBADRM CN1CCO[C@@H]2CN(S(=O)(=O)[N-]CC(F)(F)F)C[C@H]21 ZINC000443009375 266134147 /nfs/dbraw/zinc/13/41/47/266134147.db2.gz YGVAQAZLVPTAQI-HTQZYQBOSA-N -1 0 303.306 -0.602 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)[N-]CC(F)(F)F)O1 ZINC000443030119 266135645 /nfs/dbraw/zinc/13/56/45/266135645.db2.gz XLLBVSQOBUVGKG-NTSWFWBYSA-N -1 0 305.278 -0.994 20 0 DBADRM COCCN1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1=O ZINC000443050996 266135766 /nfs/dbraw/zinc/13/57/66/266135766.db2.gz PFYROUAEVFEIAC-UHFFFAOYSA-N -1 0 319.305 -0.826 20 0 DBADRM CCN1CCN(S(=O)(=O)[N-]CC(F)(F)F)[C@@H](C)C1=O ZINC000443199236 266138149 /nfs/dbraw/zinc/13/81/49/266138149.db2.gz DONBUHAWCFVOLN-ZETCQYMHSA-N -1 0 303.306 -0.064 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000450525494 266144633 /nfs/dbraw/zinc/14/46/33/266144633.db2.gz RLBOILXWQNMROQ-QXEWZRGKSA-N -1 0 304.368 -0.411 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccnn1C ZINC000491894779 266149818 /nfs/dbraw/zinc/14/98/18/266149818.db2.gz MOPHGYQADQQVDW-AATRIKPKSA-N -1 0 315.351 -0.168 20 0 DBADRM Cn1cc(/C=C/C(=O)NC2(CC(=O)[O-])CCC2)c(=O)n(C)c1=O ZINC000492135468 266153566 /nfs/dbraw/zinc/15/35/66/266153566.db2.gz GDMTXDHIZMYWCJ-SNAWJCMRSA-N -1 0 321.333 -0.389 20 0 DBADRM CC[C@](C)(NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000492158811 266155214 /nfs/dbraw/zinc/15/52/14/266155214.db2.gz XIVGPNKJRGBSOP-AFNCTOJWSA-N -1 0 309.322 -0.533 20 0 DBADRM Cn1cc(/C=C/C(=O)N2CCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000492232240 266156263 /nfs/dbraw/zinc/15/62/63/266156263.db2.gz PDHXICNUOZZKSN-PORFMDCZSA-N -1 0 307.306 -0.827 20 0 DBADRM CCn1ccnc1/C=C/C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000492437196 266161405 /nfs/dbraw/zinc/16/14/05/266161405.db2.gz HOROTPJYJZNQNO-ONEGZZNKSA-N -1 0 314.367 -0.391 20 0 DBADRM COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)N2CCCC2)cn1 ZINC000492735469 266164041 /nfs/dbraw/zinc/16/40/41/266164041.db2.gz MAFAYCBNCOPFDZ-PLNGDYQASA-N -1 0 312.351 -0.045 20 0 DBADRM CC(C)(NC(=O)CNC(=O)OCC(F)(F)F)c1nnn[n-]1 ZINC000493055386 266169726 /nfs/dbraw/zinc/16/97/26/266169726.db2.gz VCXFYJZKOQHFKT-UHFFFAOYSA-N -1 0 310.236 -0.161 20 0 DBADRM COCC[C@H](NC(=O)CNC(=O)/C=C\c1cccnc1)C(=O)[O-] ZINC000493172243 266171320 /nfs/dbraw/zinc/17/13/20/266171320.db2.gz PSLUYASQWFNOMS-RXNFCKPNSA-N -1 0 321.333 -0.183 20 0 DBADRM CCn1nccc1/C=C/C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000493351506 266174852 /nfs/dbraw/zinc/17/48/52/266174852.db2.gz KDRXJWDFTWKBSS-ONEGZZNKSA-N -1 0 304.310 -0.091 20 0 DBADRM C[C@H](CC(=O)[O-])N(C)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000493350666 266175155 /nfs/dbraw/zinc/17/51/55/266175155.db2.gz JGVVVDRLEPCBRA-SSJHQANKSA-N -1 0 309.322 -0.581 20 0 DBADRM CC(C)CN(CC(=O)[O-])C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000493395017 266175291 /nfs/dbraw/zinc/17/52/91/266175291.db2.gz CZVYHPITTVEEJJ-WAYWQWQTSA-N -1 0 323.349 -0.334 20 0 DBADRM Cn1nccc1C=CC(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000493431777 266175680 /nfs/dbraw/zinc/17/56/80/266175680.db2.gz JUQYKVHQSHRQMI-HPOULIHZSA-N -1 0 318.293 -0.774 20 0 DBADRM CCn1nccc1/C=C\C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000493484379 266176001 /nfs/dbraw/zinc/17/60/01/266176001.db2.gz CCQFCESPRBCLAF-PLNGDYQASA-N -1 0 314.367 -0.502 20 0 DBADRM O=C(C=Cc1cccnc1)NCC(=O)OCc1n[nH]c(=O)[n-]1 ZINC000493518563 266178283 /nfs/dbraw/zinc/17/82/83/266178283.db2.gz IIUTXTRMLFEXFR-ONEGZZNKSA-N -1 0 303.278 -0.222 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000493620512 266178935 /nfs/dbraw/zinc/17/89/35/266178935.db2.gz ORDNLXBYRMCKMY-MPNWYJEXSA-N -1 0 319.317 -0.186 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000493583526 266179137 /nfs/dbraw/zinc/17/91/37/266179137.db2.gz KIJRXKCAKAWJJL-QAVQXKDTSA-N -1 0 319.317 -0.234 20 0 DBADRM C[C@@](O)(CNC(=O)/C=C/c1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000493666088 266180415 /nfs/dbraw/zinc/18/04/15/266180415.db2.gz WEBQJOZKYIMMTR-NFBGWVBBSA-N -1 0 322.317 -0.484 20 0 DBADRM O=C(/C=C\c1cccnc1)NCC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000493698480 266181021 /nfs/dbraw/zinc/18/10/21/266181021.db2.gz UNFICIXJTSXGOQ-JZIMQPMSSA-N -1 0 319.317 -0.429 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)NC[C@H](OC)C(=O)[O-])c1 ZINC000493754343 266181035 /nfs/dbraw/zinc/18/10/35/266181035.db2.gz YHOXBJRTHNKDLO-BYCRGOAPSA-N -1 0 307.306 -0.330 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC000493788946 266182368 /nfs/dbraw/zinc/18/23/68/266182368.db2.gz NGHLSDSVBKHINK-WQAKUFEDSA-N -1 0 321.333 -0.439 20 0 DBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000493913705 266184078 /nfs/dbraw/zinc/18/40/78/266184078.db2.gz BEXYBUSVFQVBOM-UHFFFAOYSA-N -1 0 323.371 -0.794 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000494077601 266186093 /nfs/dbraw/zinc/18/60/93/266186093.db2.gz GRJABVUCIRXTJU-LURJTMIESA-N -1 0 305.312 -0.159 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000494446701 266192424 /nfs/dbraw/zinc/19/24/24/266192424.db2.gz WHKHERYWCPMURC-AYVTZFPOSA-N -1 0 318.333 -0.265 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000495223388 266202282 /nfs/dbraw/zinc/20/22/82/266202282.db2.gz UBYGQLIEGDHXNA-SECBINFHSA-N -1 0 308.356 -0.252 20 0 DBADRM CC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000495330280 266204283 /nfs/dbraw/zinc/20/42/83/266204283.db2.gz FLZOATMVRGNKDF-ZETCQYMHSA-N -1 0 323.371 -0.779 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000495406153 266205094 /nfs/dbraw/zinc/20/50/94/266205094.db2.gz AXTQTMHYHGQLTH-UHFFFAOYSA-N -1 0 304.328 -0.639 20 0 DBADRM CCOC(=O)N1CCC(C(=O)NC[C@](C)(O)C(=O)[O-])CC1 ZINC000495463441 266205345 /nfs/dbraw/zinc/20/53/45/266205345.db2.gz KIDBPAYWPNCMHM-ZDUSSCGKSA-N -1 0 302.327 -0.193 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)[N-]OCC(F)F ZINC000495388829 266205679 /nfs/dbraw/zinc/20/56/79/266205679.db2.gz YKNCBMNSIZFTEC-UHFFFAOYSA-N -1 0 311.285 -0.060 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C)CC(=O)[O-])CC1 ZINC000495513723 266207771 /nfs/dbraw/zinc/20/77/71/266207771.db2.gz KWHGKAQRAIIASV-SECBINFHSA-N -1 0 323.371 -0.542 20 0 DBADRM C[C@H](CNC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000495615911 266210292 /nfs/dbraw/zinc/21/02/92/266210292.db2.gz CJNXHXAYYPLWLQ-SSDOTTSWSA-N -1 0 323.371 -0.922 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC ZINC000495650702 266212221 /nfs/dbraw/zinc/21/22/21/266212221.db2.gz JTQLVPZPLJGSTP-CSMHCCOUSA-N -1 0 324.355 -0.626 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000495623707 266212408 /nfs/dbraw/zinc/21/24/08/266212408.db2.gz PSMWORZPEIQUGN-VIFPVBQESA-N -1 0 308.356 -0.395 20 0 DBADRM CN(CCN1CCCC1=O)S(=O)(=O)[N-]CC(F)(F)F ZINC000515201617 266268640 /nfs/dbraw/zinc/26/86/40/266268640.db2.gz YVBSJXCOHGVYLJ-UHFFFAOYSA-N -1 0 303.306 -0.063 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000495910949 266221127 /nfs/dbraw/zinc/22/11/27/266221127.db2.gz MWHIFHUTERGUNT-UHFFFAOYSA-N -1 0 313.314 -0.496 20 0 DBADRM COC(=O)N1CCC(CNC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000496964321 266250772 /nfs/dbraw/zinc/25/07/72/266250772.db2.gz STEAZMBTQVWRHY-UHFFFAOYSA-N -1 0 324.337 -0.306 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000496950956 266250859 /nfs/dbraw/zinc/25/08/59/266250859.db2.gz RZWTYKKTYYRVPP-UHFFFAOYSA-N -1 0 318.355 -0.330 20 0 DBADRM COC(=O)NCC(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000497017848 266251945 /nfs/dbraw/zinc/25/19/45/266251945.db2.gz GQSJBNXYKDFQMM-WPRPVWTQSA-N -1 0 315.326 -0.831 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000514673630 266262763 /nfs/dbraw/zinc/26/27/63/266262763.db2.gz OFHIVGSXQUAYDX-SECBINFHSA-N -1 0 304.368 -0.706 20 0 DBADRM Cn1nccc1[C@@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)[O-] ZINC000514668775 266263045 /nfs/dbraw/zinc/26/30/45/266263045.db2.gz NBVTZAQJHOZWSU-GXSJLCMTSA-N -1 0 317.367 -0.108 20 0 DBADRM O=C(Cn1nnnc1-c1ccsc1)N[C@@]1(C(=O)[O-])CCOC1 ZINC000514863881 266265743 /nfs/dbraw/zinc/26/57/43/266265743.db2.gz XJOCWOCGEXNGEF-LBPRGKRZSA-N -1 0 323.334 -0.239 20 0 DBADRM C[C@H]1OCC[C@H]1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000514942027 266267419 /nfs/dbraw/zinc/26/74/19/266267419.db2.gz OVBOZLPCMCREEM-SZEHBUNVSA-N -1 0 303.340 -0.498 20 0 DBADRM C[C@H]1CN(C(=O)C2(C(=O)[O-])CCC2)CCN1S(C)(=O)=O ZINC000515386533 266272058 /nfs/dbraw/zinc/27/20/58/266272058.db2.gz PSDMHXMNQMVTIX-VIFPVBQESA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@H](O)[C@@H]1CCN(c2cc(N3CCO[C@@H](C(=O)[O-])C3)ncn2)C1 ZINC000515487536 266273262 /nfs/dbraw/zinc/27/32/62/266273262.db2.gz XBMBMVAJNWGZCV-QJPTWQEYSA-N -1 0 322.365 -0.027 20 0 DBADRM CN(C)c1ncc(CNC(=O)c2cnc(C(=O)[O-])cn2)n1C ZINC000515843905 266274779 /nfs/dbraw/zinc/27/47/79/266274779.db2.gz CLGQGMZIOCZHPV-UHFFFAOYSA-N -1 0 304.310 -0.096 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)CCS1(=O)=O ZINC000516174607 266278321 /nfs/dbraw/zinc/27/83/21/266278321.db2.gz GTZOZAFRXWXLIC-JXUBOQSCSA-N -1 0 302.352 -0.322 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NCC[C@H](O)C(=O)[O-])CCCC1 ZINC000516221432 266278374 /nfs/dbraw/zinc/27/83/74/266278374.db2.gz XHZHWMQJSNKIJX-VIFPVBQESA-N -1 0 323.367 -0.525 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000516187748 266278820 /nfs/dbraw/zinc/27/88/20/266278820.db2.gz WLOOYQOXTBXYNH-SECBINFHSA-N -1 0 306.384 -0.069 20 0 DBADRM CNC(=O)CS(=O)(=O)c1nnc(-c2ccc(OC)cc2)[n-]1 ZINC000516536815 266281851 /nfs/dbraw/zinc/28/18/51/266281851.db2.gz VWGFUGZJIHKBSO-UHFFFAOYSA-N -1 0 310.335 0.000 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000516475878 266282263 /nfs/dbraw/zinc/28/22/63/266282263.db2.gz NFJXAYZAUIBZRV-PPWMNTERSA-N -1 0 311.381 -0.989 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)N(C)[C@@H]2COC[C@H]2O)s[n-]1 ZINC000516895580 266286135 /nfs/dbraw/zinc/28/61/35/266286135.db2.gz HVJWASXYCWOTQA-XLPZGREQSA-N -1 0 302.356 -0.109 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000516872303 266286422 /nfs/dbraw/zinc/28/64/22/266286422.db2.gz UYCFLEQMKIIVBC-LBPRGKRZSA-N -1 0 317.305 -0.104 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)C2(C(=O)[O-])CCC2)C1 ZINC000516973508 266288192 /nfs/dbraw/zinc/28/81/92/266288192.db2.gz XHBAWTLJLJZWBH-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM NC(=O)[C@@]1(NS(=O)(=O)c2cccc(C(=O)[O-])c2)CCOC1 ZINC000517038001 266290498 /nfs/dbraw/zinc/29/04/98/266290498.db2.gz FNIJEBWXPUMMBV-GFCCVEGCSA-N -1 0 314.319 -0.693 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000517236014 266290847 /nfs/dbraw/zinc/29/08/47/266290847.db2.gz GFURWLJXTZHWTK-VHSXEESVSA-N -1 0 306.384 -0.163 20 0 DBADRM O=C([O-])C[C@@H](CNS(=O)(=O)N1CCOCC1)C(F)F ZINC000517200895 266290933 /nfs/dbraw/zinc/29/09/33/266290933.db2.gz GCESHHFHDUGUMA-ZETCQYMHSA-N -1 0 302.299 -0.491 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC000517742681 266296025 /nfs/dbraw/zinc/29/60/25/266296025.db2.gz HRKZFZVRJCFPRP-MRTMQBJTSA-N -1 0 303.340 -0.329 20 0 DBADRM CN1C[C@H](NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CC1=O ZINC000517717945 266296271 /nfs/dbraw/zinc/29/62/71/266296271.db2.gz TYMSNQSLYWEQLY-SNVBAGLBSA-N -1 0 302.290 -0.010 20 0 DBADRM CN(CC(C)(C)O)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000518514779 266302059 /nfs/dbraw/zinc/30/20/59/266302059.db2.gz USWZLSNDEOHLIH-JTQLQIEISA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000518542281 266303842 /nfs/dbraw/zinc/30/38/42/266303842.db2.gz OVBOZLPCMCREEM-HGNGGELXSA-N -1 0 303.340 -0.498 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C[C@@H](C)O1 ZINC000519245023 266307363 /nfs/dbraw/zinc/30/73/63/266307363.db2.gz JMFQGMCDYDDZGG-SVDPJWKOSA-N -1 0 304.368 -0.253 20 0 DBADRM C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C)C(=O)[O-] ZINC000519535091 266309961 /nfs/dbraw/zinc/30/99/61/266309961.db2.gz CVPIGZMFLIKJBY-SSDOTTSWSA-N -1 0 303.340 -0.522 20 0 DBADRM CC[C@H](C(=O)[O-])N(C(=O)NCCNS(C)(=O)=O)C1CC1 ZINC000519517303 266310064 /nfs/dbraw/zinc/31/00/64/266310064.db2.gz CZNKMLHSRUUEOA-SECBINFHSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000519602283 266311234 /nfs/dbraw/zinc/31/12/34/266311234.db2.gz IQTKNIIOELUSQG-VPOLOUISSA-N -1 0 318.395 -0.022 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C[C@H]1CO ZINC000519615003 266311744 /nfs/dbraw/zinc/31/17/44/266311744.db2.gz ZLAVNFKQBZBCMF-WHOHXGKFSA-N -1 0 312.366 -0.358 20 0 DBADRM O=C([O-])C[C@]1(NS(=O)(=O)CCOCC2CC2)CCOC1 ZINC000519697702 266313594 /nfs/dbraw/zinc/31/35/94/266313594.db2.gz IMVSVOFAEUGKOY-GFCCVEGCSA-N -1 0 307.368 -0.034 20 0 DBADRM COC(=O)c1cn(CCNC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)nn1 ZINC000521875337 266329989 /nfs/dbraw/zinc/32/99/89/266329989.db2.gz ZUQLJWZMAXIKDQ-DTWKUNHWSA-N -1 0 310.310 -0.462 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)NCCC(=O)[O-])n(C)c1 ZINC000521624486 266330038 /nfs/dbraw/zinc/33/00/38/266330038.db2.gz BZZSZNDAGAEZNH-UHFFFAOYSA-N -1 0 303.340 -0.520 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000522060170 266333929 /nfs/dbraw/zinc/33/39/29/266333929.db2.gz GFQJANQGDIXCRG-NSHDSACASA-N -1 0 320.301 -0.112 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000527105050 266353424 /nfs/dbraw/zinc/35/34/24/266353424.db2.gz BODDBFUZROQSQG-UHFFFAOYSA-N -1 0 309.351 -0.325 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1noc2c1COCC2 ZINC000527596466 266362280 /nfs/dbraw/zinc/36/22/80/266362280.db2.gz AGBVNFASHZWINN-UHFFFAOYSA-N -1 0 301.324 -0.182 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1COCCO1 ZINC000529032612 266382472 /nfs/dbraw/zinc/38/24/72/266382472.db2.gz WKHIQVKXKNMHDL-PREPNJAASA-N -1 0 321.395 -0.093 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000528992917 266382543 /nfs/dbraw/zinc/38/25/43/266382543.db2.gz FROVTLNQVYQXJU-IBCQBUCCSA-N -1 0 302.356 -0.321 20 0 DBADRM CN1C(=O)COc2ccc(C(=O)NCCc3nc(=O)o[n-]3)cc21 ZINC000529205452 266383394 /nfs/dbraw/zinc/38/33/94/266383394.db2.gz VJWOKNRPMKWIHN-UHFFFAOYSA-N -1 0 318.289 -0.309 20 0 DBADRM CC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)C1 ZINC000529109698 266383919 /nfs/dbraw/zinc/38/39/19/266383919.db2.gz REBXNUSFBLURKV-QWRGUYRKSA-N -1 0 318.395 -0.132 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)n1 ZINC000529105464 266384115 /nfs/dbraw/zinc/38/41/15/266384115.db2.gz IUWLXOPQZLAPQX-MRVPVSSYSA-N -1 0 302.356 -0.075 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)CO1 ZINC000529112002 266384216 /nfs/dbraw/zinc/38/42/16/266384216.db2.gz YWPYGZJHBYZDQH-QMMMGPOBSA-N -1 0 315.351 -0.097 20 0 DBADRM CN(C)S(=O)(=O)C=C([O-])Nc1nc(C2(C)CC2)ns1 ZINC000529699633 266393550 /nfs/dbraw/zinc/39/35/50/266393550.db2.gz UMHRZXDBWBUHTM-UHFFFAOYSA-N -1 0 304.397 -0.159 20 0 DBADRM CC1(c2nc(=NC(=O)[C@H]3CCS(=O)(=O)N3)s[n-]2)CC1 ZINC000529699810 266393834 /nfs/dbraw/zinc/39/38/34/266393834.db2.gz BLDYDKSFWOJULZ-ZCFIWIBFSA-N -1 0 302.381 -0.358 20 0 DBADRM CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(=O)[nH][n-]1 ZINC000529752793 266397247 /nfs/dbraw/zinc/39/72/47/266397247.db2.gz OVLLLZDUAKFQRR-AWEZNQCLSA-N -1 0 310.354 -0.539 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)[C@H]2CCCOC2)CC1 ZINC000530140770 266404786 /nfs/dbraw/zinc/40/47/86/266404786.db2.gz KKEJCHQCTZTKSR-NSHDSACASA-N -1 0 320.411 -0.024 20 0 DBADRM Cn1nc(C(F)(F)F)cc1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000530135961 266404812 /nfs/dbraw/zinc/40/48/12/266404812.db2.gz BZGVQSVLINGPDP-SCSAIBSYSA-N -1 0 317.245 -0.837 20 0 DBADRM CC[C@H](C)[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000063142340 287752254 /nfs/dbraw/zinc/75/22/54/287752254.db2.gz HYTCJBVAABAMDH-YUMQZZPRSA-N -1 0 301.386 -0.550 20 0 DBADRM CC(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)C(C)(C)C1 ZINC000408104052 278039465 /nfs/dbraw/zinc/03/94/65/278039465.db2.gz ORWAOFVUSOMDBX-UHFFFAOYSA-N -1 0 308.338 -0.431 20 0 DBADRM CC(=O)NCCN(C(=O)CCCS(C)(=O)=O)[C@@H](C)C(=O)[O-] ZINC000262295207 278104457 /nfs/dbraw/zinc/10/44/57/278104457.db2.gz ZILNETYKOJYREZ-VIFPVBQESA-N -1 0 322.383 -0.751 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@H](C)C(=O)[O-] ZINC000262149328 278107064 /nfs/dbraw/zinc/10/70/64/278107064.db2.gz AOLMQMGPTAIOLU-KOLCDFICSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc2nncn2c1)[C@H](C)C(=O)[O-] ZINC000262205041 278108459 /nfs/dbraw/zinc/10/84/59/278108459.db2.gz IWRQYCYQRKQTOP-SECBINFHSA-N -1 0 319.321 -0.219 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)[C@@H]1CCCOC1 ZINC000262466351 278113244 /nfs/dbraw/zinc/11/32/44/278113244.db2.gz TVFNXNLUBCKFCA-MWLCHTKSSA-N -1 0 322.383 -0.594 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1)C(N)=O ZINC000428030141 278133620 /nfs/dbraw/zinc/13/36/20/278133620.db2.gz HNBUPAUJRZHPAW-CMPLNLGQSA-N -1 0 307.306 -0.691 20 0 DBADRM CC(C)C[C@@H]1C(=O)NCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000275852675 279006505 /nfs/dbraw/zinc/00/65/05/279006505.db2.gz IBWLXHBAJKVUAG-MRVPVSSYSA-N -1 0 313.383 -0.437 20 0 DBADRM CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000275803820 279200459 /nfs/dbraw/zinc/20/04/59/279200459.db2.gz CSYJSPJSQKKIGM-JTQLQIEISA-N -1 0 308.338 -0.527 20 0 DBADRM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000195218410 279941397 /nfs/dbraw/zinc/94/13/97/279941397.db2.gz PISMFDNGFOHITQ-SSDOTTSWSA-N -1 0 303.306 -0.161 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@H](O)C[C@H]1CO ZINC000365534859 280292036 /nfs/dbraw/zinc/29/20/36/280292036.db2.gz HJRFNSROSXTECV-YIZRAAEISA-N -1 0 312.288 -0.356 20 0 DBADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC000262910961 280528016 /nfs/dbraw/zinc/52/80/16/280528016.db2.gz NEMJBRIRCBJAOA-LBPRGKRZSA-N -1 0 306.384 -0.163 20 0 DBADRM CC[C@H]1COCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000115510785 288322290 /nfs/dbraw/zinc/32/22/90/288322290.db2.gz WHGNLQQEYXFVIO-VIFPVBQESA-N -1 0 304.306 -0.138 20 0 DBADRM CC1(C)SC[C@H]1NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000333627722 281432234 /nfs/dbraw/zinc/43/22/34/281432234.db2.gz VHDKSDYREFIFPB-HTQZYQBOSA-N -1 0 322.408 -0.226 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000262448853 281939058 /nfs/dbraw/zinc/93/90/58/281939058.db2.gz GXTUZFNJIHKVLX-BDAKNGLRSA-N -1 0 302.352 -0.390 20 0 DBADRM CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)N(C)CCC(=O)OC ZINC000367882513 288376032 /nfs/dbraw/zinc/37/60/32/288376032.db2.gz DFAACZXYFHGLEY-ZJUUUORDSA-N -1 0 322.383 -0.089 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1CCC[C@@H](O)C1)C(=O)[O-] ZINC000424499776 282078411 /nfs/dbraw/zinc/07/84/11/282078411.db2.gz YZNFXMQPHSWMLC-SNVBAGLBSA-N -1 0 300.355 -0.023 20 0 DBADRM COCC[C@H](NC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)[O-] ZINC000262298745 292697901 /nfs/dbraw/zinc/69/79/01/292697901.db2.gz NDPOYMOZMAWXMF-VIFPVBQESA-N -1 0 307.368 -0.050 20 0 DBADRM COCC[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC000262327932 292707168 /nfs/dbraw/zinc/70/71/68/292707168.db2.gz ULSWLEYDZZKTNH-IUCAKERBSA-N -1 0 324.399 -0.444 20 0 DBADRM CN1CCN(C(=O)c2cnc([O-])n(C)c2=O)c2cccnc21 ZINC000267556597 290032904 /nfs/dbraw/zinc/03/29/04/290032904.db2.gz DNGXQCBVVNOBCN-UHFFFAOYSA-N -1 0 301.306 -0.023 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000262462196 292782827 /nfs/dbraw/zinc/78/28/27/292782827.db2.gz SKBMIWFUMDJVEN-BDAKNGLRSA-N -1 0 310.372 -0.738 20 0 DBADRM CN1CCN(c2cc(N3CCC[C@H]3C(=O)[O-])ncn2)CC1=O ZINC000263401326 290057221 /nfs/dbraw/zinc/05/72/21/290057221.db2.gz IYZOKZGDJDLDII-JTQLQIEISA-N -1 0 305.338 -0.192 20 0 DBADRM CN1C[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000299676185 290308944 /nfs/dbraw/zinc/30/89/44/290308944.db2.gz QCSFQXRKHQLSNL-SSDOTTSWSA-N -1 0 303.278 -0.604 20 0 DBADRM COC[C@@H]1CCN(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])C1 ZINC000262108924 292886095 /nfs/dbraw/zinc/88/60/95/292886095.db2.gz VOKLBYUGTVXEET-CMPLNLGQSA-N -1 0 315.370 -0.014 20 0 DBADRM COC[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)CC(C)(C)O1 ZINC000285046094 292903966 /nfs/dbraw/zinc/90/39/66/292903966.db2.gz NVYLICJRUYKYEA-QMMMGPOBSA-N -1 0 316.383 -0.158 20 0 DBADRM COC[C@H]1CCN(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])C1 ZINC000262108927 293211652 /nfs/dbraw/zinc/21/16/52/293211652.db2.gz VOKLBYUGTVXEET-PWSUYJOCSA-N -1 0 315.370 -0.014 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CSCN1C(C)=O ZINC000330691710 293243095 /nfs/dbraw/zinc/24/30/95/293243095.db2.gz ZGMWORXJUXEBOQ-SKDRFNHKSA-N -1 0 304.368 -0.096 20 0 DBADRM CO[C@H](C)CS(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000263464004 294282691 /nfs/dbraw/zinc/28/26/91/294282691.db2.gz FPYMTFFFDDSHDR-RKDXNWHRSA-N -1 0 310.372 -0.738 20 0 DBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CC2(CS(C)(=O)=O)CC2)C1 ZINC000262221376 294593925 /nfs/dbraw/zinc/59/39/25/294593925.db2.gz ZWOVEZVYRHQYLZ-UWVGGRQHSA-N -1 0 319.379 -0.098 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000132747192 295522079 /nfs/dbraw/zinc/52/20/79/295522079.db2.gz PEPZVDFBETYRLU-UHFFFAOYSA-N -1 0 302.308 -0.305 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262899086 295528403 /nfs/dbraw/zinc/52/84/03/295528403.db2.gz CSTJKTKHIBOIIG-JOYOIKCWSA-N -1 0 319.383 -0.568 20 0 DBADRM C[C@H](C(=O)NCCc1nc(=O)o[n-]1)n1nnnc1C(C)(C)C ZINC000280066062 298156562 /nfs/dbraw/zinc/15/65/62/298156562.db2.gz JADNJEYBPZDRHL-SSDOTTSWSA-N -1 0 309.330 -0.433 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CCN1S(C)(=O)=O ZINC000261981699 300167982 /nfs/dbraw/zinc/16/79/82/300167982.db2.gz CBYAJDVMIOIKNU-AEJSXWLSSA-N -1 0 304.368 -0.411 20 0 DBADRM C[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@]2(CCOC2)O1 ZINC000408326445 300205734 /nfs/dbraw/zinc/20/57/34/300205734.db2.gz MHFWQNSJAKISFX-LKFCYVNXSA-N -1 0 309.322 -0.494 20 0 DBADRM Cc1cc(C(=O)N(C)[C@@H]2COC[C@@H]2O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000342308783 301081097 /nfs/dbraw/zinc/08/10/97/301081097.db2.gz HFZWWEJAHXFZEX-BDAKNGLRSA-N -1 0 320.305 -0.424 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N3CCOC[C@H]3C(=O)[O-])nc2n1 ZINC000262324994 301258329 /nfs/dbraw/zinc/25/83/29/301258329.db2.gz ROIWGPOZSJIVSZ-VIFPVBQESA-N -1 0 305.294 -0.333 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)nc2n1 ZINC000262388375 301259710 /nfs/dbraw/zinc/25/97/10/301259710.db2.gz ZKSWXJFFOXEUID-ZDUSSCGKSA-N -1 0 305.294 -0.285 20 0 DBADRM Cc1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(O)c1 ZINC000278766377 301525919 /nfs/dbraw/zinc/52/59/19/301525919.db2.gz XVFIEODYWYGYPN-UHFFFAOYSA-N -1 0 300.336 -0.104 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC000408503583 302843946 /nfs/dbraw/zinc/84/39/46/302843946.db2.gz WCGGTRAKKYADPT-DTWKUNHWSA-N -1 0 315.351 -0.179 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCNC(=O)[C@@H]1C ZINC000110662579 302869693 /nfs/dbraw/zinc/86/96/93/302869693.db2.gz IEJBGRSDDAUQGO-LURJTMIESA-N -1 0 302.308 -0.205 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000275110104 303247663 /nfs/dbraw/zinc/24/76/63/303247663.db2.gz RVIREBPNXSJXRF-SSDOTTSWSA-N -1 0 322.289 -0.038 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1noc2c1CCCCC2 ZINC000408483770 303253951 /nfs/dbraw/zinc/25/39/51/303253951.db2.gz LBTNNGYFUXTBCT-UHFFFAOYSA-N -1 0 301.324 -0.512 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)C(=O)[O-] ZINC000037417543 303257114 /nfs/dbraw/zinc/25/71/14/303257114.db2.gz XSVQYQAXDKVHKH-SECBINFHSA-N -1 0 304.299 -0.426 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C1 ZINC000408484270 303300648 /nfs/dbraw/zinc/30/06/48/303300648.db2.gz ZFXZLOVXGJGLNW-BBBLOLIVSA-N -1 0 304.368 -0.487 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000408484272 303300673 /nfs/dbraw/zinc/30/06/73/303300673.db2.gz ZFXZLOVXGJGLNW-OPRDCNLKSA-N -1 0 304.368 -0.487 20 0 DBADRM NC(=O)c1ccc(CN2Cc3n[nH]c(=O)n3C[C@H]2C(=O)[O-])cc1 ZINC000263057199 303343608 /nfs/dbraw/zinc/34/36/08/303343608.db2.gz LWRMNKWCESCLQW-JTQLQIEISA-N -1 0 317.305 -0.861 20 0 DBADRM O=c1[n-]c(CN2CCC[C@H](N3CCCS3(=O)=O)C2)n[nH]1 ZINC000333016907 304787777 /nfs/dbraw/zinc/78/77/77/304787777.db2.gz HDUYBUQGYZSQGL-VIFPVBQESA-N -1 0 301.372 -0.490 20 0 DBADRM CC(C)CN(C)S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000570777858 332814256 /nfs/dbraw/zinc/81/42/56/332814256.db2.gz SAXSZLGFEGRKQU-UHFFFAOYSA-N -1 0 305.360 -0.602 20 0 DBADRM C[C@H](CC(=O)[O-])NS(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000583992688 331530381 /nfs/dbraw/zinc/53/03/81/331530381.db2.gz ZLJYLMVLJARKIT-MRVPVSSYSA-N -1 0 315.413 -0.018 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000580074107 332928165 /nfs/dbraw/zinc/92/81/65/332928165.db2.gz DVPHJSXBXGGBPA-MRVPVSSYSA-N -1 0 308.356 -0.984 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C(=O)[O-] ZINC000576823527 331835764 /nfs/dbraw/zinc/83/57/64/331835764.db2.gz MJNXYHXEFUHJJS-QXEWZRGKSA-N -1 0 323.367 -0.168 20 0 DBADRM C[C@@H](C(=O)NCC(F)(F)F)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000573123559 331913001 /nfs/dbraw/zinc/91/30/01/331913001.db2.gz JCENXWFRYASUDR-ZETCQYMHSA-N -1 0 311.260 -0.718 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC000569366686 332064732 /nfs/dbraw/zinc/06/47/32/332064732.db2.gz GABZNLSCYNZGJH-SFYZADRCSA-N -1 0 313.335 -0.178 20 0 DBADRM COCC1(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)CC1 ZINC000569461088 332093334 /nfs/dbraw/zinc/09/33/34/332093334.db2.gz MIDYZCUSXJUYEM-DTWKUNHWSA-N -1 0 320.367 -0.854 20 0 DBADRM COC(=O)Cn1cc(CNC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)nn1 ZINC000569484347 332101343 /nfs/dbraw/zinc/10/13/43/332101343.db2.gz HQFPKVTXEAHSQR-VHSXEESVSA-N -1 0 310.310 -0.576 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000569582779 332145797 /nfs/dbraw/zinc/14/57/97/332145797.db2.gz ZZMKGTOJNJVTJJ-SSDOTTSWSA-N -1 0 317.323 -0.913 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000573729154 332272439 /nfs/dbraw/zinc/27/24/39/332272439.db2.gz PNXVVZQOGLXJRE-ZDUSSCGKSA-N -1 0 311.382 -0.234 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)CCCC(=O)[O-] ZINC000577369620 332278414 /nfs/dbraw/zinc/27/84/14/332278414.db2.gz IXBQOZXQMQOION-MRVPVSSYSA-N -1 0 301.386 -0.406 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)CCCCO)C[C@H]1C(=O)[O-] ZINC000574084227 332316993 /nfs/dbraw/zinc/31/69/93/332316993.db2.gz KTFXWQSGNMIQAD-WDEREUQCSA-N -1 0 300.355 -0.214 20 0 DBADRM COCCn1nnc2c1CCN(c1ncc(C(=O)[O-])cn1)C2 ZINC000566292072 332318289 /nfs/dbraw/zinc/31/82/89/332318289.db2.gz WZWGEWHXXASIGQ-UHFFFAOYSA-N -1 0 304.310 -0.025 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1=O ZINC000583433806 332404917 /nfs/dbraw/zinc/40/49/17/332404917.db2.gz MCNRRJXBOVXUMC-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM CC1(C)CN(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)CCO1 ZINC000572737730 332687914 /nfs/dbraw/zinc/68/79/14/332687914.db2.gz KQEFUGNRAGWCNP-LLVKDONJSA-N -1 0 308.356 -0.825 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CC1CC(F)(F)C1)[C@H](C)O ZINC000570107801 332713406 /nfs/dbraw/zinc/71/34/06/332713406.db2.gz PTBCNWPFAUVQMT-XPUUQOCRSA-N -1 0 301.311 -0.127 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1 ZINC000570208710 332725715 /nfs/dbraw/zinc/72/57/15/332725715.db2.gz YDZTYAADNQOUKJ-ZETCQYMHSA-N -1 0 305.312 -0.856 20 0 DBADRM CO[C@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2ccn(C)n2)C1 ZINC000570276135 332733210 /nfs/dbraw/zinc/73/32/10/332733210.db2.gz CVTWCMLLZAYUHN-BDAKNGLRSA-N -1 0 303.340 -0.327 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CO1 ZINC000570330330 332741540 /nfs/dbraw/zinc/74/15/40/332741540.db2.gz YFGJPAVHUQIMNJ-IWSPIJDZSA-N -1 0 306.340 -0.943 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000584326017 333033402 /nfs/dbraw/zinc/03/34/02/333033402.db2.gz MMFHFHYSSHJDHO-UTLUCORTSA-N -1 0 323.367 -0.717 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000221697125 333363380 /nfs/dbraw/zinc/36/33/80/333363380.db2.gz QHQBRNYBUQCUSV-OUAUKWLOSA-N -1 0 306.384 -0.006 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CF)C2)C[C@H]1C(=O)[O-] ZINC000567875321 333395884 /nfs/dbraw/zinc/39/58/84/333395884.db2.gz BYYQORYIVSLHDA-GMTAPVOTSA-N -1 0 316.329 -0.248 20 0 DBADRM C[C@H]1C[C@@H](S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)CCO1 ZINC000570971732 333471920 /nfs/dbraw/zinc/47/19/20/333471920.db2.gz KXFCCSIGHHJIFN-IUCAKERBSA-N -1 0 318.355 -0.537 20 0 DBADRM C[C@@H]1C[C@H](S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)CCO1 ZINC000570971733 333472015 /nfs/dbraw/zinc/47/20/15/333472015.db2.gz KXFCCSIGHHJIFN-RKDXNWHRSA-N -1 0 318.355 -0.537 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000571299452 333717115 /nfs/dbraw/zinc/71/71/15/333717115.db2.gz RKMFPKMQNMOBSW-GFCCVEGCSA-N -1 0 313.331 -0.071 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)cn1 ZINC000571407481 333785776 /nfs/dbraw/zinc/78/57/76/333785776.db2.gz AOSUXRVOFVKRNP-KCJUWKMLSA-N -1 0 316.335 -0.142 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)cn1 ZINC000571407483 333785782 /nfs/dbraw/zinc/78/57/82/333785782.db2.gz AOSUXRVOFVKRNP-LDYMZIIASA-N -1 0 316.335 -0.142 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)N1CCCC[C@H]1C)C(=O)[O-] ZINC000379282092 336262554 /nfs/dbraw/zinc/26/25/54/336262554.db2.gz DOCDAUPDPNIQPW-RKDXNWHRSA-N -1 0 308.356 -0.289 20 0 DBADRM NC(=O)[C@H]1CC[C@H]1C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000567099207 336394769 /nfs/dbraw/zinc/39/47/69/336394769.db2.gz SSOMJPIEPCHZHB-NWDGAFQWSA-N -1 0 305.334 -0.250 20 0 DBADRM CCn1cccc(CNC(=O)c2cnc([O-])n(C)c2=O)c1=O ZINC000582281188 336881930 /nfs/dbraw/zinc/88/19/30/336881930.db2.gz VYLNPDURSUJDGB-UHFFFAOYSA-N -1 0 304.306 -0.403 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)C[C@H](C)O1 ZINC000582355425 336940214 /nfs/dbraw/zinc/94/02/14/336940214.db2.gz KDKCRADPYRAEGI-UMNHJUIQSA-N -1 0 322.383 -0.436 20 0 DBADRM CNC(=O)c1cccc(CCC(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000583693171 337011676 /nfs/dbraw/zinc/01/16/76/337011676.db2.gz BZOSGKLHLNDEQG-OAHLLOKOSA-N -1 0 308.334 -0.069 20 0 DBADRM C[C@@H](OC(C)(C)C)[C@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000393197153 337091735 /nfs/dbraw/zinc/09/17/35/337091735.db2.gz VJEMCHZFKMTDHA-ZJUUUORDSA-N -1 0 324.399 -0.190 20 0 DBADRM Cc1c(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)cnn1C ZINC000394215695 337106913 /nfs/dbraw/zinc/10/69/13/337106913.db2.gz HYHGHCCUYHSYQB-SECBINFHSA-N -1 0 303.340 -0.407 20 0 DBADRM Cc1nc(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)cn1C ZINC000582902544 337213320 /nfs/dbraw/zinc/21/33/20/337213320.db2.gz OUTYUGHHWWCLEE-UHFFFAOYSA-N -1 0 317.367 -0.017 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1sccc1Cl ZINC000582886339 337215107 /nfs/dbraw/zinc/21/51/07/337215107.db2.gz FIPQKFRVRUIDRV-UHFFFAOYSA-N -1 0 312.756 -0.119 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H](n3ccnn3)C2)nn1 ZINC000583080618 337236979 /nfs/dbraw/zinc/23/69/79/337236979.db2.gz CYMVUCZUFOVBBK-SECBINFHSA-N -1 0 305.298 -0.569 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCC(=O)N(C)C)C[C@@H]1C(=O)[O-] ZINC000583084291 337237708 /nfs/dbraw/zinc/23/77/08/337237708.db2.gz KFAHOFYRJJRJBG-UWVGGRQHSA-N -1 0 313.354 -0.850 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCC(=O)N(C)C)C[C@H]1C(=O)[O-] ZINC000583084292 337237719 /nfs/dbraw/zinc/23/77/19/337237719.db2.gz KFAHOFYRJJRJBG-VHSXEESVSA-N -1 0 313.354 -0.850 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCC(=O)N(C)C)C[C@H]1C(=O)[O-] ZINC000583084290 337237741 /nfs/dbraw/zinc/23/77/41/337237741.db2.gz KFAHOFYRJJRJBG-NXEZZACHSA-N -1 0 313.354 -0.850 20 0 DBADRM O=C([O-])C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000396663504 337241814 /nfs/dbraw/zinc/24/18/14/337241814.db2.gz PIHTZBDLHCAZJM-UHFFFAOYSA-N -1 0 309.297 -0.007 20 0 DBADRM C[C@@H](CC(=O)[O-])N(CCO)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000583158859 337247845 /nfs/dbraw/zinc/24/78/45/337247845.db2.gz SUJOORKWOKGVTI-UWVGGRQHSA-N -1 0 322.383 -0.617 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)NC1(c2nnn[n-]2)CC1 ZINC000583170686 337251159 /nfs/dbraw/zinc/25/11/59/337251159.db2.gz IRVSANOUBBEOTD-UHFFFAOYSA-N -1 0 301.310 -0.484 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)C[C@H](C)O ZINC000397640669 337277813 /nfs/dbraw/zinc/27/78/13/337277813.db2.gz CAAVEDLTBXBPQY-BDAKNGLRSA-N -1 0 305.356 -0.347 20 0 DBADRM CC(C)[C@@H](O)CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000583260014 337291013 /nfs/dbraw/zinc/29/10/13/337291013.db2.gz HWTTUTXCCPAGRV-JTQLQIEISA-N -1 0 305.356 -0.347 20 0 DBADRM CC(C)[C@H](O)CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000583260016 337291076 /nfs/dbraw/zinc/29/10/76/337291076.db2.gz HWTTUTXCCPAGRV-SNVBAGLBSA-N -1 0 305.356 -0.347 20 0 DBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCc1nnn(C)n1 ZINC000398091355 337305491 /nfs/dbraw/zinc/30/54/91/337305491.db2.gz PMWRAIMVBJGJHC-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM C[C@H](C(=O)N1CCC(C)CC1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000583325770 337316356 /nfs/dbraw/zinc/31/63/56/337316356.db2.gz YKJVRZWRTGGOQU-GFCCVEGCSA-N -1 0 311.382 -0.138 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000020557771 337331687 /nfs/dbraw/zinc/33/16/87/337331687.db2.gz JZJWFVYNHWVAML-ZETCQYMHSA-N -1 0 322.364 -0.811 20 0 DBADRM C[C@@H]1CCN(C(=O)N2CCS(=O)(=O)CC2)C[C@H]1C(=O)[O-] ZINC000583812828 337337462 /nfs/dbraw/zinc/33/74/62/337337462.db2.gz WIHBLYMTJKZHJW-NXEZZACHSA-N -1 0 304.368 -0.121 20 0 DBADRM Cc1c(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])cnn1C ZINC000583848537 337341777 /nfs/dbraw/zinc/34/17/77/337341777.db2.gz ICEQVAUXKWPYBX-NXEZZACHSA-N -1 0 317.367 -0.113 20 0 DBADRM CC[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CCO1 ZINC000036769588 337358184 /nfs/dbraw/zinc/35/81/84/337358184.db2.gz XDHLTWKXQLTYSA-SECBINFHSA-N -1 0 303.340 -0.233 20 0 DBADRM C[C@H]1C[C@H](C)CN(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])C1 ZINC000036983409 337361658 /nfs/dbraw/zinc/36/16/58/337361658.db2.gz NPEDXCBILXFEQV-CIUDSAMLSA-N -1 0 307.372 -0.873 20 0 DBADRM O=C([O-])CCCNC(=O)CNS(=O)(=O)c1ccccc1 ZINC000037434248 337363655 /nfs/dbraw/zinc/36/36/55/337363655.db2.gz QFQVDSYQJHFOMV-UHFFFAOYSA-N -1 0 300.336 -0.054 20 0 DBADRM N#Cc1cccc(CS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000037420813 337363720 /nfs/dbraw/zinc/36/37/20/337363720.db2.gz WBQXQBNMDXZHEO-SNVBAGLBSA-N -1 0 311.319 -0.694 20 0 DBADRM CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037464746 337364077 /nfs/dbraw/zinc/36/40/77/337364077.db2.gz ISNHRIFMGAAJTJ-ZETCQYMHSA-N -1 0 322.364 -0.480 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000037374587 337364833 /nfs/dbraw/zinc/36/48/33/337364833.db2.gz IDONLUGVIHVZSD-MRVPVSSYSA-N -1 0 308.262 -0.428 20 0 DBADRM COCCCN(CCOC)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037901785 337368780 /nfs/dbraw/zinc/36/87/80/337368780.db2.gz YIUPKEBCYNYWOR-UHFFFAOYSA-N -1 0 321.355 -0.219 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Cn2nnnc2-c2ccsc2)CCO1 ZINC000584599449 337370700 /nfs/dbraw/zinc/37/07/00/337370700.db2.gz YSNQVQRUTZKVTN-SECBINFHSA-N -1 0 323.334 -0.286 20 0 DBADRM NS(=O)(=O)c1ccc(NC[C@@H]2COCCO2)c(C(=O)[O-])c1 ZINC000038063143 337373797 /nfs/dbraw/zinc/37/37/97/337373797.db2.gz GYRQPHPFHXOPKU-MRVPVSSYSA-N -1 0 316.335 -0.141 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000572179928 337595292 /nfs/dbraw/zinc/59/52/92/337595292.db2.gz IEKNQJZJCYUDOX-UHTWSYAYSA-N -1 0 323.393 -0.234 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000572286087 337604866 /nfs/dbraw/zinc/60/48/66/337604866.db2.gz SGKMLIFWQUQLJY-OUAUKWLOSA-N -1 0 300.355 -0.215 20 0 DBADRM N#CC1(CS(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])CCCC1 ZINC000547587732 341222657 /nfs/dbraw/zinc/22/26/57/341222657.db2.gz IPMSQHHTYHWIKM-ZJUUUORDSA-N -1 0 302.352 -0.080 20 0 DBADRM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NCC(=O)[O-])C2=O ZINC000566063386 341546688 /nfs/dbraw/zinc/54/66/88/341546688.db2.gz RRZRHYONJHMUQW-IUCAKERBSA-N -1 0 311.338 -0.066 20 0 DBADRM C[C@](O)(CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)C(=O)[O-] ZINC000566224815 341551134 /nfs/dbraw/zinc/55/11/34/341551134.db2.gz FFKKRPFOOSQZIK-AWEZNQCLSA-N -1 0 321.289 -0.946 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCCc1cn2c(n1)CCCC2 ZINC000566242461 341551747 /nfs/dbraw/zinc/55/17/47/341551747.db2.gz NUUALHIBDPFVOO-UHFFFAOYSA-N -1 0 322.365 -0.141 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])o1 ZINC000566311422 341553745 /nfs/dbraw/zinc/55/37/45/341553745.db2.gz CQTMKAANQYKTLG-ASCAZGACSA-N -1 0 307.349 -0.206 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000566311837 341553818 /nfs/dbraw/zinc/55/38/18/341553818.db2.gz JHQIPMBMWHRVKH-JLIMGVALSA-N -1 0 320.367 -0.856 20 0 DBADRM CNC(=O)c1ccc(CS(=O)(=O)N(C)CC(=O)[O-])cc1 ZINC000566313975 341553829 /nfs/dbraw/zinc/55/38/29/341553829.db2.gz WTPOSEVKLQFIRE-UHFFFAOYSA-N -1 0 300.336 -0.108 20 0 DBADRM NC(=O)[C@@H]1CC[C@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000566448696 341558449 /nfs/dbraw/zinc/55/84/49/341558449.db2.gz CBLPDYYJEXGWKY-NXEZZACHSA-N -1 0 302.294 -0.182 20 0 DBADRM O=C([O-])c1noc2c1CN(S(=O)(=O)[C@@H]1CCOC1)CC2 ZINC000566585880 341562516 /nfs/dbraw/zinc/56/25/16/341562516.db2.gz VOOJOXDMZJLQGL-SSDOTTSWSA-N -1 0 302.308 -0.150 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)NC1(CC(=O)[O-])CC1 ZINC000567054171 341577036 /nfs/dbraw/zinc/57/70/36/341577036.db2.gz BIHGLEHFJNBCMD-UHFFFAOYSA-N -1 0 308.356 -0.934 20 0 DBADRM O=C([O-])C[C@H]1CN(S(=O)(=O)CCOCC2CC2)CCO1 ZINC000567800491 341634098 /nfs/dbraw/zinc/63/40/98/341634098.db2.gz RJFFPDZFUOWROM-NSHDSACASA-N -1 0 307.368 -0.082 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000567863291 341637424 /nfs/dbraw/zinc/63/74/24/341637424.db2.gz IQJKSPBLABTGKE-NXEZZACHSA-N -1 0 322.383 -0.879 20 0 DBADRM Cc1cc(C)cc(CS(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000568002944 341644967 /nfs/dbraw/zinc/64/49/67/341644967.db2.gz QVENSBRBXBAVBE-UHFFFAOYSA-N -1 0 314.363 -0.076 20 0 DBADRM COC[C@H](NC(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000158805592 341664704 /nfs/dbraw/zinc/66/47/04/341664704.db2.gz KLVYCRNGUBEHAS-VIFPVBQESA-N -1 0 317.323 -0.445 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCCc1cnc(C2CC2)nc1 ZINC000568512126 341673397 /nfs/dbraw/zinc/67/33/97/341673397.db2.gz IONZILIDGWPPPP-UHFFFAOYSA-N -1 0 320.349 -0.006 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](C(=O)[O-])C(C)C ZINC000568752579 341680455 /nfs/dbraw/zinc/68/04/55/341680455.db2.gz GLLRMTYTUGHOMB-KOLCDFICSA-N -1 0 313.354 -0.804 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000568767793 341680960 /nfs/dbraw/zinc/68/09/60/341680960.db2.gz XPVOHHNISAXHIS-UHFFFAOYSA-N -1 0 308.290 -0.125 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC000568768815 341681026 /nfs/dbraw/zinc/68/10/26/341681026.db2.gz IYXFFWVFIBCGHZ-MRVPVSSYSA-N -1 0 304.324 -0.406 20 0 DBADRM CC[C@@H](NC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000568825014 341682808 /nfs/dbraw/zinc/68/28/08/341682808.db2.gz FZOWZLBYJCMHLR-SECBINFHSA-N -1 0 322.321 -0.982 20 0 DBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)NCCCC(=O)[O-] ZINC000569220123 341694395 /nfs/dbraw/zinc/69/43/95/341694395.db2.gz MSAQHYCYQDDNNW-WDEREUQCSA-N -1 0 304.343 -0.029 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)CC1CCS(=O)(=O)CC1 ZINC000572718017 341701719 /nfs/dbraw/zinc/70/17/19/341701719.db2.gz QQPWJLQRQQVYNP-UHFFFAOYSA-N -1 0 313.397 -0.453 20 0 DBADRM O=C(NC[C@H](N1CCOCC1)C(F)(F)F)c1n[nH]c(=O)[n-]1 ZINC000573005796 341713147 /nfs/dbraw/zinc/71/31/47/341713147.db2.gz CCOGHKYLEAVHCD-LURJTMIESA-N -1 0 309.248 -0.497 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(c3cncc4nncn43)C2)nn1 ZINC000573476508 341729439 /nfs/dbraw/zinc/72/94/39/341729439.db2.gz LVOTUOVWXQCCFD-MRVPVSSYSA-N -1 0 300.282 -0.135 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)N[C@]2(CO)CCOC2)s[n-]1 ZINC000573672448 341735509 /nfs/dbraw/zinc/73/55/09/341735509.db2.gz IDNWAXUHCVQTOC-CPCISQLKSA-N -1 0 302.356 -0.060 20 0 DBADRM CCN1CCOC[C@H]1C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000573686656 341736009 /nfs/dbraw/zinc/73/60/09/341736009.db2.gz QGZBRXYZOLOJCY-QWRGUYRKSA-N -1 0 309.370 -0.063 20 0 DBADRM COCCCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000574444841 341758758 /nfs/dbraw/zinc/75/87/58/341758758.db2.gz DVXLYXZGAITRED-JTQLQIEISA-N -1 0 305.356 -0.108 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC1=O ZINC000574638395 341764454 /nfs/dbraw/zinc/76/44/54/341764454.db2.gz QZYDDJGZZUZJBN-UHFFFAOYSA-N -1 0 305.290 -0.376 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccon2)C1 ZINC000575053312 341774067 /nfs/dbraw/zinc/77/40/67/341774067.db2.gz GSJTWYBVXVKPJM-NSHDSACASA-N -1 0 304.324 -0.073 20 0 DBADRM CCOC(=O)[C@H](Cc1ccccn1)NC(=O)c1n[nH]c(=O)[n-]1 ZINC000576213086 341833606 /nfs/dbraw/zinc/83/36/06/341833606.db2.gz RLNDIDLQBYXELN-VIFPVBQESA-N -1 0 305.294 -0.191 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000576391308 341843764 /nfs/dbraw/zinc/84/37/64/341843764.db2.gz RVLURHQUUVAJLC-MWLCHTKSSA-N -1 0 317.367 -0.113 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N(C)C1(C(=O)[O-])CCOCC1 ZINC000576825591 341865002 /nfs/dbraw/zinc/86/50/02/341865002.db2.gz BWDFXSAZKQUBEA-VIFPVBQESA-N -1 0 322.383 -0.642 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCO3)CCO1 ZINC000576833025 341865580 /nfs/dbraw/zinc/86/55/80/341865580.db2.gz WTCKUWUCJSCNDX-LLVKDONJSA-N -1 0 315.303 -0.111 20 0 DBADRM Nc1ccccc1CC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000576976917 341873077 /nfs/dbraw/zinc/87/30/77/341873077.db2.gz YRBCUICYLHXRED-NSHDSACASA-N -1 0 312.347 -0.479 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)CCOC(F)(F)F)C(=O)[O-] ZINC000577113590 341886982 /nfs/dbraw/zinc/88/69/82/341886982.db2.gz WVBHPZXEFACRKL-YFKPBYRVSA-N -1 0 322.261 -0.839 20 0 DBADRM Cc1c(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])cnn1C ZINC000577212791 341897632 /nfs/dbraw/zinc/89/76/32/341897632.db2.gz CRKKZTHZZYZOTE-MRVPVSSYSA-N -1 0 305.356 -0.425 20 0 DBADRM CSC[C@@](C)(O)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000577218993 341898068 /nfs/dbraw/zinc/89/80/68/341898068.db2.gz PSDNATZCSMLEIF-WPRPVWTQSA-N -1 0 312.413 -0.516 20 0 DBADRM CCN1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC1=O ZINC000577280417 341902199 /nfs/dbraw/zinc/90/21/99/341902199.db2.gz REICAPSXDPWTEJ-UHFFFAOYSA-N -1 0 305.290 -0.029 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000577287197 341902562 /nfs/dbraw/zinc/90/25/62/341902562.db2.gz ZNKWJWFXWIEUBI-LBPRGKRZSA-N -1 0 317.305 -0.104 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(c3nccn4nnnc34)C2)nn1 ZINC000577384881 341907327 /nfs/dbraw/zinc/90/73/27/341907327.db2.gz DGQAUDGWGHKGGA-SSDOTTSWSA-N -1 0 301.270 -0.740 20 0 DBADRM O=C([O-])[C@@H](O)[C@@H]1CCCN(S(=O)(=O)CCOCC2CC2)C1 ZINC000577531363 341916172 /nfs/dbraw/zinc/91/61/72/341916172.db2.gz WBLNPNXTISVSBC-NEPJUHHUSA-N -1 0 321.395 -0.100 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@]2(C)CO)C1 ZINC000577620113 341924157 /nfs/dbraw/zinc/92/41/57/341924157.db2.gz DRXGHFYYCJNWDC-HFAKWTLXSA-N -1 0 312.366 -0.071 20 0 DBADRM CCC[C@@H](O)[C@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000577697727 341929881 /nfs/dbraw/zinc/92/98/81/341929881.db2.gz GTFHLUUJODMGNS-BDAKNGLRSA-N -1 0 308.356 -0.959 20 0 DBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000348472334 341952014 /nfs/dbraw/zinc/95/20/14/341952014.db2.gz MPOPMXMWNFICKY-UHFFFAOYSA-N -1 0 308.385 -0.500 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc3c(c2)C(=O)NC3=O)c1[O-] ZINC000349258111 341967317 /nfs/dbraw/zinc/96/73/17/341967317.db2.gz WNSFMDCIAAKFNG-VIFPVBQESA-N -1 0 317.257 -0.442 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000037932302 520577383 /nfs/dbraw/zinc/57/73/83/520577383.db2.gz JLQNDTHBYXPEKN-UHFFFAOYSA-N -1 0 322.383 -0.087 20 0 DBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C)C(N)=O ZINC000346435408 520860924 /nfs/dbraw/zinc/86/09/24/520860924.db2.gz CVTNCZKHBLMIOW-PHDIDXHHSA-N -1 0 320.289 -0.336 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263355717 521655345 /nfs/dbraw/zinc/65/53/45/521655345.db2.gz QTUNGGNCACKFCJ-ZJUUUORDSA-N -1 0 306.384 -0.163 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C[C@H]1CO ZINC000424483426 518179895 /nfs/dbraw/zinc/17/98/95/518179895.db2.gz QIZHJYBEBBFOSV-ZJUUUORDSA-N -1 0 300.355 -0.310 20 0 DBADRM CC(=O)c1c(C)[nH]c(C([O-])=CS(=O)(=O)C[C@@H](O)CO)c1C ZINC000267378011 518221006 /nfs/dbraw/zinc/22/10/06/518221006.db2.gz ZJBLSJDLTZUKCK-JTQLQIEISA-N -1 0 317.363 -0.215 20 0 DBADRM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262444937 518570499 /nfs/dbraw/zinc/57/04/99/518570499.db2.gz DBESCAKNMDPMQG-AMIZOPFISA-N -1 0 318.395 -0.114 20 0 DBADRM CC(C)(CCNC(=O)NC[C@H]1CC(C(N)=O)=NO1)C(=O)[O-] ZINC000263031700 519215073 /nfs/dbraw/zinc/21/50/73/519215073.db2.gz HHHAGAIPOGPUFD-SSDOTTSWSA-N -1 0 300.315 -0.583 20 0 DBADRM CC(C)(CCNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)C(=O)[O-] ZINC000263047574 519215670 /nfs/dbraw/zinc/21/56/70/519215670.db2.gz KEVPCMQHOBBMIO-DTWKUNHWSA-N -1 0 301.343 -0.181 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C/c1ccnn1C)[C@@H](C)C(=O)[O-] ZINC000272598451 534419091 /nfs/dbraw/zinc/41/90/91/534419091.db2.gz DSBZIRVHRBRAET-YEZKRMTDSA-N -1 0 308.338 -0.129 20 0 DBADRM CC(C)C[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)[O-] ZINC000262375309 519348258 /nfs/dbraw/zinc/34/82/58/519348258.db2.gz YAQXJMQZFAZDCS-SNVBAGLBSA-N -1 0 311.338 -0.590 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000331211654 519634588 /nfs/dbraw/zinc/63/45/88/519634588.db2.gz YYBBVYAGJSGPEZ-SNVBAGLBSA-N -1 0 316.379 -0.095 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263035259 519663566 /nfs/dbraw/zinc/66/35/66/519663566.db2.gz SGLPNZLLQTYVLG-MWLCHTKSSA-N -1 0 313.354 -0.802 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000262898646 519663902 /nfs/dbraw/zinc/66/39/02/519663902.db2.gz BBMWYCBQBZSDSC-VIFPVBQESA-N -1 0 301.343 -0.802 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)c2ccnc(C(=O)[O-])c2)CCO1 ZINC000262381271 519671770 /nfs/dbraw/zinc/67/17/70/519671770.db2.gz IMRRINLPPSYTCV-LLVKDONJSA-N -1 0 307.306 -0.243 20 0 DBADRM CC(C)NC(=O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000037498737 519706025 /nfs/dbraw/zinc/70/60/25/519706025.db2.gz FKPMBUUUAOGWAK-UHFFFAOYSA-N -1 0 317.367 -0.132 20 0 DBADRM CC(C)[C@@H](C(=O)NC[C@@H](C)C(=O)[O-])N1CCCS1(=O)=O ZINC000262080767 519789258 /nfs/dbraw/zinc/78/92/58/519789258.db2.gz KEPSGGOHLIXNEM-ZJUUUORDSA-N -1 0 306.384 -0.117 20 0 DBADRM CCCNC(=O)CCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000262284063 519867638 /nfs/dbraw/zinc/86/76/38/519867638.db2.gz XFFNHDBCGICTSL-SNVBAGLBSA-N -1 0 315.370 -0.269 20 0 DBADRM CCN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1cccs1 ZINC000262348706 520374844 /nfs/dbraw/zinc/37/48/44/520374844.db2.gz APZZHLJQLIGZKW-UHFFFAOYSA-N -1 0 306.365 -0.041 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccnc(-n2cccn2)c1 ZINC000447634366 534501551 /nfs/dbraw/zinc/50/15/51/534501551.db2.gz PEXCVXKGTWEUOV-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cc(-n2ccnc2)ccn1 ZINC000447637483 534501921 /nfs/dbraw/zinc/50/19/21/534501921.db2.gz UEFGLFHAXCMVMG-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM CCC[C@@H](NC(=O)CCN1CCCS1(=O)=O)c1nnn[n-]1 ZINC000343747132 520728164 /nfs/dbraw/zinc/72/81/64/520728164.db2.gz PDXKHQGUYRFWHY-SECBINFHSA-N -1 0 316.387 -0.417 20 0 DBADRM CCC[C@@H](NC(=O)CCSc1nnnn1C)c1nnn[n-]1 ZINC000343772401 520729059 /nfs/dbraw/zinc/72/90/59/520729059.db2.gz ZORWDWZQILUXKH-SSDOTTSWSA-N -1 0 311.375 -0.137 20 0 DBADRM O=C(CN1C(=O)c2ccccc2C1=O)NCCc1nc(=O)o[n-]1 ZINC000447633410 534514719 /nfs/dbraw/zinc/51/47/19/534514719.db2.gz YZVRRBODACVKPS-UHFFFAOYSA-N -1 0 316.273 -0.682 20 0 DBADRM CCOC(=O)CNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000037563567 520791881 /nfs/dbraw/zinc/79/18/81/520791881.db2.gz BKCHEGKREBZMRT-UHFFFAOYSA-N -1 0 317.319 -0.009 20 0 DBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C)C(N)=O ZINC000346435410 520815606 /nfs/dbraw/zinc/81/56/06/520815606.db2.gz CVTNCZKHBLMIOW-WDSKDSINSA-N -1 0 320.289 -0.336 20 0 DBADRM CCOC(=O)N[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000267689542 520992456 /nfs/dbraw/zinc/99/24/56/520992456.db2.gz NYDAQMVMHRWSEQ-VIFPVBQESA-N -1 0 324.337 -0.163 20 0 DBADRM CCC[C@H](NC(=O)CCN1CCCS1(=O)=O)c1nnn[n-]1 ZINC000343747133 521122521 /nfs/dbraw/zinc/12/25/21/521122521.db2.gz PDXKHQGUYRFWHY-VIFPVBQESA-N -1 0 316.387 -0.417 20 0 DBADRM CCC[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000036838200 521169009 /nfs/dbraw/zinc/16/90/09/521169009.db2.gz LBSHTNMUCTULAN-QMMMGPOBSA-N -1 0 303.340 -0.344 20 0 DBADRM CCC(=O)N[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000331242233 521180363 /nfs/dbraw/zinc/18/03/63/521180363.db2.gz NIWURLPEVUQUNL-SECBINFHSA-N -1 0 308.338 -0.383 20 0 DBADRM CCOC(=O)c1cc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cn1C ZINC000262384455 521447977 /nfs/dbraw/zinc/44/79/77/521447977.db2.gz HNWICMQRHTWWKQ-ZETCQYMHSA-N -1 0 304.324 -0.047 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)CNS(=O)(=O)CCOC(C)C ZINC000262418249 521557171 /nfs/dbraw/zinc/55/71/71/521557171.db2.gz ZVEXEAYFGRQTOA-UHFFFAOYSA-N -1 0 324.399 -0.346 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000262371002 521561573 /nfs/dbraw/zinc/56/15/73/521561573.db2.gz LREFDQJKWYGYPA-UHFFFAOYSA-N -1 0 320.305 -0.029 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1nc(OC)n[nH]1 ZINC000158808041 521569281 /nfs/dbraw/zinc/56/92/81/521569281.db2.gz YGKFKGOIYKGASK-UHFFFAOYSA-N -1 0 316.299 -0.486 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000364164677 521654460 /nfs/dbraw/zinc/65/44/60/521654460.db2.gz BBHOQTMNNLIXMO-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000339291060 521670340 /nfs/dbraw/zinc/67/03/40/521670340.db2.gz QJQSVYQAEJEAAI-QMMMGPOBSA-N -1 0 317.371 -0.844 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000266777480 521743558 /nfs/dbraw/zinc/74/35/58/521743558.db2.gz BTDBYUYJWDXFIU-SSDOTTSWSA-N -1 0 319.321 -0.001 20 0 DBADRM CCc1cccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000267491689 521783994 /nfs/dbraw/zinc/78/39/94/521783994.db2.gz FJCDVIJCLFGQHU-UHFFFAOYSA-N -1 0 300.336 -0.272 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]c2nc(OC)n[nH]2)cc1 ZINC000158945909 521859493 /nfs/dbraw/zinc/85/94/93/521859493.db2.gz UDEIXCYIKMLCOP-UHFFFAOYSA-N -1 0 311.323 -0.026 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCC(=O)[O-])cnc1C ZINC000263563277 521910321 /nfs/dbraw/zinc/91/03/21/521910321.db2.gz TZUFTYBFDQIECM-UHFFFAOYSA-N -1 0 302.308 -0.070 20 0 DBADRM CN(C)S(=O)(=O)CCCN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344135235 521947317 /nfs/dbraw/zinc/94/73/17/521947317.db2.gz FYZQVBSVTDQBDN-JTQLQIEISA-N -1 0 317.415 -0.029 20 0 DBADRM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)C1CC1)C(F)(F)F ZINC000331793927 521956497 /nfs/dbraw/zinc/95/64/97/521956497.db2.gz VUMNGGXFKFWVLB-SSDOTTSWSA-N -1 0 324.346 -0.110 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000263433776 521974438 /nfs/dbraw/zinc/97/44/38/521974438.db2.gz OCHBCJAVBPLATK-XVKPBYJWSA-N -1 0 315.351 -0.042 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC[C@@H](OC)C(=O)[O-])cc1 ZINC000262892449 522279316 /nfs/dbraw/zinc/27/93/16/522279316.db2.gz OBSFYXKLAXCLEQ-SNVBAGLBSA-N -1 0 316.335 -0.576 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000361492500 522316251 /nfs/dbraw/zinc/31/62/51/522316251.db2.gz ITXOJRWLVMSLDO-UHFFFAOYSA-N -1 0 317.352 -0.590 20 0 DBADRM CN(C)c1n[nH]c([N-]S(=O)(=O)c2cccc(C(N)=O)c2)n1 ZINC000351108226 522317285 /nfs/dbraw/zinc/31/72/85/522317285.db2.gz KUAWMYOVRAYLEL-UHFFFAOYSA-N -1 0 310.339 -0.230 20 0 DBADRM COC[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000263140123 522322624 /nfs/dbraw/zinc/32/26/24/522322624.db2.gz YJLUZGAGOQNQTO-SNVBAGLBSA-N -1 0 321.289 -0.682 20 0 DBADRM COC[C@@H](O)CCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000345931530 522390028 /nfs/dbraw/zinc/39/00/28/522390028.db2.gz FNAABXROFBUMDR-QMMMGPOBSA-N -1 0 322.321 -0.128 20 0 DBADRM CN(CC(=O)NC(C)(C)C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000331131687 522453484 /nfs/dbraw/zinc/45/34/84/522453484.db2.gz BMPFWCYMZBAOTM-UHFFFAOYSA-N -1 0 301.372 -0.025 20 0 DBADRM CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnc([O-])n(C)c1=O ZINC000331921966 522512288 /nfs/dbraw/zinc/51/22/88/522512288.db2.gz ZPQWSUWAPMHXCT-VIFPVBQESA-N -1 0 318.337 -0.095 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263058260 523061040 /nfs/dbraw/zinc/06/10/40/523061040.db2.gz FFJFKJLEZKOHJT-RKDXNWHRSA-N -1 0 308.356 -0.621 20 0 DBADRM COC(=O)CCN1CC[C@H](NC(=O)CC(C)(C)C(=O)[O-])C1=O ZINC000346327765 523081632 /nfs/dbraw/zinc/08/16/32/523081632.db2.gz WAOJDCNCBKGZHV-VIFPVBQESA-N -1 0 314.338 -0.233 20 0 DBADRM COCc1nc(=NC(=O)CNC(=O)c2cccnc2)s[n-]1 ZINC000345767091 523166820 /nfs/dbraw/zinc/16/68/20/523166820.db2.gz HNQODJUNRXHGOK-UHFFFAOYSA-N -1 0 307.335 -0.130 20 0 DBADRM CCn1cc(S(=O)(=O)N(C)CC(=O)N(C)C)cc1C(=O)[O-] ZINC000036864289 523440850 /nfs/dbraw/zinc/44/08/50/523440850.db2.gz IUFAPCFKEWZWTF-UHFFFAOYSA-N -1 0 317.367 -0.085 20 0 DBADRM COc1ccc(=NC(=O)N=c2ccn(CC(=O)N(C)C)[nH]2)[n-]n1 ZINC000346682736 523475791 /nfs/dbraw/zinc/47/57/91/523475791.db2.gz NUZOOEXNGTYEDR-UHFFFAOYSA-N -1 0 319.325 -0.742 20 0 DBADRM CC[C@@H]1C[C@H](C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])CCO1 ZINC000333579112 523553676 /nfs/dbraw/zinc/55/36/76/523553676.db2.gz NOXSHMHSFMXNDL-BBBLOLIVSA-N -1 0 324.337 -0.016 20 0 DBADRM CN1CC(=O)N(CC(=O)N(CC(=O)[O-])c2ccccc2)C1=O ZINC000261936025 523738989 /nfs/dbraw/zinc/73/89/89/523738989.db2.gz KHAHINCPLHERFY-UHFFFAOYSA-N -1 0 305.290 -0.002 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000262420144 523749174 /nfs/dbraw/zinc/74/91/74/523749174.db2.gz DYDPQAGVBBTOSK-ZJUUUORDSA-N -1 0 320.305 -0.804 20 0 DBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CC(=O)NCC(F)(F)F)C1 ZINC000262860693 523764040 /nfs/dbraw/zinc/76/40/40/523764040.db2.gz DDZVYNUXBPULHW-RNFRBKRXSA-N -1 0 312.244 -0.245 20 0 DBADRM CN1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1=O ZINC000265923201 523883270 /nfs/dbraw/zinc/88/32/70/523883270.db2.gz QCRBXDGEKORKSY-UHFFFAOYSA-N -1 0 311.363 -0.028 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)CN2CCCS2(=O)=O)s[n-]1 ZINC000338027030 523904833 /nfs/dbraw/zinc/90/48/33/523904833.db2.gz ZNQKDLRBRBFVAT-SSDOTTSWSA-N -1 0 320.396 -0.359 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2COCCO2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000344180788 524091643 /nfs/dbraw/zinc/09/16/43/524091643.db2.gz GOPIXWFECDGNOJ-MRVPVSSYSA-N -1 0 320.305 -0.110 20 0 DBADRM Cc1cc(C(=O)NCc2cnnn2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000345928801 524111415 /nfs/dbraw/zinc/11/14/15/524111415.db2.gz FEEAWFSACBZSKO-UHFFFAOYSA-N -1 0 315.293 -0.197 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](c3nnn[n-]3)C2)C1 ZINC000368904896 524181659 /nfs/dbraw/zinc/18/16/59/524181659.db2.gz ILDXEEZOZSIPLO-ZJUUUORDSA-N -1 0 308.342 -0.642 20 0 DBADRM C[C@H](CN(C)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)[O-] ZINC000263051390 524277567 /nfs/dbraw/zinc/27/75/67/524277567.db2.gz AABDQOBMMXVEOM-XLKFXECMSA-N -1 0 311.338 -0.114 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000263069478 524393617 /nfs/dbraw/zinc/39/36/17/524393617.db2.gz ZJPLVZVDONPBJK-QMMMGPOBSA-N -1 0 313.335 -0.537 20 0 DBADRM C[C@H](CNC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000262175542 524477538 /nfs/dbraw/zinc/47/75/38/524477538.db2.gz WWUUELLZZYXJRG-SSDOTTSWSA-N -1 0 304.324 -0.020 20 0 DBADRM C[C@H]1CN(C(=O)CSCC(=O)[O-])CCN1S(C)(=O)=O ZINC000262852182 524483104 /nfs/dbraw/zinc/48/31/04/524483104.db2.gz SLZKZZQYHQFFHM-QMMMGPOBSA-N -1 0 310.397 -0.704 20 0 DBADRM C[C@H](CO)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000339229757 524526040 /nfs/dbraw/zinc/52/60/40/524526040.db2.gz RNTDWKHLOUVARN-QMMMGPOBSA-N -1 0 322.333 -0.012 20 0 DBADRM C[C@@H](CN(C(=O)Cn1ccc(=O)n(C)c1=O)C1CC1)C(=O)[O-] ZINC000262128348 524560302 /nfs/dbraw/zinc/56/03/02/524560302.db2.gz HDYCQIXOGKFCGD-VIFPVBQESA-N -1 0 309.322 -0.741 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCn3ccnc3C2)C1 ZINC000332639444 524771298 /nfs/dbraw/zinc/77/12/98/524771298.db2.gz RFSHLUXGLFIWDX-WDEREUQCSA-N -1 0 320.349 -0.206 20 0 DBADRM C[C@@H](CO)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000339229755 524773086 /nfs/dbraw/zinc/77/30/86/524773086.db2.gz RNTDWKHLOUVARN-MRVPVSSYSA-N -1 0 322.333 -0.012 20 0 DBADRM COc1ncnc(N(C)C)c1NC(=O)NCc1n[nH]c(=O)[n-]1 ZINC000338208100 525080878 /nfs/dbraw/zinc/08/08/78/525080878.db2.gz RCIJFBWADOXBJV-UHFFFAOYSA-N -1 0 308.302 -0.303 20 0 DBADRM C[C@@H](NC(=O)CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)C(=O)N(C)C ZINC000344132565 525103498 /nfs/dbraw/zinc/10/34/98/525103498.db2.gz YWHATRVTBUAXDT-NXEZZACHSA-N -1 0 324.385 -0.717 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000262195706 525162006 /nfs/dbraw/zinc/16/20/06/525162006.db2.gz UALAZWYBDIMNRR-VHSXEESVSA-N -1 0 304.368 -0.505 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000262780431 525212558 /nfs/dbraw/zinc/21/25/58/525212558.db2.gz NXFKBMQWTXFRLQ-VIFPVBQESA-N -1 0 313.335 -0.457 20 0 DBADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)C(=O)N1CCOCC1 ZINC000336860782 525322139 /nfs/dbraw/zinc/32/21/39/525322139.db2.gz VATMYELHXFNNED-SECBINFHSA-N -1 0 307.306 -0.243 20 0 DBADRM Cc1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c(C)s1 ZINC000035094996 525404284 /nfs/dbraw/zinc/40/42/84/525404284.db2.gz GKQIPVZFBMRRAF-UHFFFAOYSA-N -1 0 306.365 -0.156 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)[N-]OCC(N)=O)C1 ZINC000376802925 534855945 /nfs/dbraw/zinc/85/59/45/534855945.db2.gz CZNLDLNSGKCOCT-LBPRGKRZSA-N -1 0 305.306 -0.131 20 0 DBADRM Cc1[nH]nc([N-]S(=O)(=O)c2cc(C)cnc2N)c1C(N)=O ZINC000354568937 525472753 /nfs/dbraw/zinc/47/27/53/525472753.db2.gz QYETXINHINMGEZ-UHFFFAOYSA-N -1 0 310.339 -0.097 20 0 DBADRM C[C@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000261733619 525509393 /nfs/dbraw/zinc/50/93/93/525509393.db2.gz SUNXSMUWNVWQMY-ZETCQYMHSA-N -1 0 311.323 -0.372 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1cccs1 ZINC000263295797 526176357 /nfs/dbraw/zinc/17/63/57/526176357.db2.gz MHZRWWUNXOGEFY-SSDOTTSWSA-N -1 0 306.365 -0.042 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)CCN1CCCS1(=O)=O)C1CC1 ZINC000262632571 526177682 /nfs/dbraw/zinc/17/76/82/526177682.db2.gz OQANNADQXDPREH-SECBINFHSA-N -1 0 304.368 -0.124 20 0 DBADRM CSc1nnc(CNC(=O)c2cnc([O-])n(C)c2=O)s1 ZINC000338878598 526228486 /nfs/dbraw/zinc/22/84/86/526228486.db2.gz RKSNVIOCTSWSIN-UHFFFAOYSA-N -1 0 313.364 -0.011 20 0 DBADRM C[C@H]1CCCCN1C(=O)CN1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000333612499 526242682 /nfs/dbraw/zinc/24/26/82/526242682.db2.gz SEXFSJILSARWAD-UWVGGRQHSA-N -1 0 323.353 -0.347 20 0 DBADRM O=C([O-])[C@@H]1CCCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000037435694 526274309 /nfs/dbraw/zinc/27/43/09/526274309.db2.gz DWTQQNGHEHKWQG-IUCAKERBSA-N -1 0 307.393 -0.018 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)CCN2CCCS2(=O)=O)C1 ZINC000262411876 526294837 /nfs/dbraw/zinc/29/48/37/526294837.db2.gz ADEWTPVGYZZAJV-LLVKDONJSA-N -1 0 308.331 -0.563 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)Cn2nnc3ccccc3c2=O)CCOC1 ZINC000345929627 526296130 /nfs/dbraw/zinc/29/61/30/526296130.db2.gz AYBXLTCEPPRXEE-CQSZACIVSA-N -1 0 318.289 -0.849 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)CCO1 ZINC000261996699 526330501 /nfs/dbraw/zinc/33/05/01/526330501.db2.gz UQCZPKVZZAILDQ-LLVKDONJSA-N -1 0 310.281 -0.133 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CCC2CCOCC2)CCS1(=O)=O ZINC000333546955 526331218 /nfs/dbraw/zinc/33/12/18/526331218.db2.gz IUDHVLLGLJUYOQ-LLVKDONJSA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000262580774 526334121 /nfs/dbraw/zinc/33/41/21/526334121.db2.gz FPCCTHNUHNWZGM-QWRGUYRKSA-N -1 0 312.347 -0.198 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2ccc(-n3cnnn3)cc2)CCOC1 ZINC000262141792 526338396 /nfs/dbraw/zinc/33/83/96/526338396.db2.gz MNBNMBBOCWFJBP-ZDUSSCGKSA-N -1 0 303.278 -0.364 20 0 DBADRM O=C([O-])c1csc(CNC(=O)CN2CCCS2(=O)=O)n1 ZINC000262041678 526407691 /nfs/dbraw/zinc/40/76/91/526407691.db2.gz CYCLBDSQYUVBNT-UHFFFAOYSA-N -1 0 319.364 -0.507 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ncn(-c2ccccc2)n1 ZINC000346649466 526458000 /nfs/dbraw/zinc/45/80/00/526458000.db2.gz UCTMXCIDFHLWNX-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM O=C(NC[C@@H]1CC[C@H](CO)O1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000349704301 526546973 /nfs/dbraw/zinc/54/69/73/526546973.db2.gz UNGJJUKTODEYHZ-DTWKUNHWSA-N -1 0 320.305 -0.294 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000360393310 526551314 /nfs/dbraw/zinc/55/13/14/526551314.db2.gz FZYIABALGORFHV-UHFFFAOYSA-N -1 0 317.323 -0.791 20 0 DBADRM Cc1nc(=NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)s[n-]1 ZINC000333009482 526627738 /nfs/dbraw/zinc/62/77/38/526627738.db2.gz FNOUBFUPTKGIGW-QMMMGPOBSA-N -1 0 304.397 -0.674 20 0 DBADRM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCCc1nc(=O)o[n-]1 ZINC000333154967 526717483 /nfs/dbraw/zinc/71/74/83/526717483.db2.gz BJSQKKNSOPUEIQ-IUCAKERBSA-N -1 0 322.321 -0.803 20 0 DBADRM Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262571864 526752213 /nfs/dbraw/zinc/75/22/13/526752213.db2.gz ZFCHLOGINRAXKI-ZDUSSCGKSA-N -1 0 308.294 -0.051 20 0 DBADRM O=C(CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)NC(=O)NC1CC1 ZINC000344078784 526756427 /nfs/dbraw/zinc/75/64/27/526756427.db2.gz XNNNTOZENXUUDH-QMMMGPOBSA-N -1 0 308.342 -0.322 20 0 DBADRM CC(C)(C)c1nc(=NCCOCCS(N)(=O)=O)s[n-]1 ZINC000450523801 526854074 /nfs/dbraw/zinc/85/40/74/526854074.db2.gz JUHZQHSQMNFNCO-UHFFFAOYSA-N -1 0 308.429 -0.026 20 0 DBADRM O=C(N[C@@H](CO)[C@H]1CCCO1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000344917497 526860809 /nfs/dbraw/zinc/86/08/09/526860809.db2.gz WXUIWSOAAFADDK-VHSXEESVSA-N -1 0 320.305 -0.294 20 0 DBADRM NC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000346689257 526887996 /nfs/dbraw/zinc/88/79/96/526887996.db2.gz YSRHQJQVTQTEPK-UHFFFAOYSA-N -1 0 323.334 -0.574 20 0 DBADRM O=C(CO)N1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000331227402 526903444 /nfs/dbraw/zinc/90/34/44/526903444.db2.gz FRXSMCNEYFEQEP-UHFFFAOYSA-N -1 0 300.261 -0.053 20 0 DBADRM COCCOCCN1[N-]S(=O)(=O)c2ccccc2C1=O ZINC000273570125 536503679 /nfs/dbraw/zinc/50/36/79/536503679.db2.gz KEQQWLFPACORSO-UHFFFAOYSA-N -1 0 300.336 -0.001 20 0 DBADRM NC(=O)[C@@H](CO)[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000352619436 526953319 /nfs/dbraw/zinc/95/33/19/526953319.db2.gz SRXGLFIHHGBJKF-RXMQYKEDSA-N -1 0 316.232 -0.633 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NC[C@H]1CCCC(=O)N1)C(=O)[O-] ZINC000424503721 527033208 /nfs/dbraw/zinc/03/32/08/527033208.db2.gz PRSWEZYERCQGCT-SECBINFHSA-N -1 0 313.354 -0.612 20 0 DBADRM O=c1[nH]cnc2c1CN(S(=O)(=O)[N-]CC(F)(F)F)CC2 ZINC000338426188 527209136 /nfs/dbraw/zinc/20/91/36/527209136.db2.gz QIVRUVALPRQOOA-UHFFFAOYSA-N -1 0 312.273 -0.063 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NC[C@H]1CCCS(=O)(=O)C1 ZINC000344887799 527227819 /nfs/dbraw/zinc/22/78/19/527227819.db2.gz CCVOMNDMFMSSRG-SSDOTTSWSA-N -1 0 324.346 -0.203 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000262660780 527296379 /nfs/dbraw/zinc/29/63/79/527296379.db2.gz LQHZBYDSQKLJMU-JTQLQIEISA-N -1 0 319.383 -0.775 20 0 DBADRM NS(=O)(=O)c1ccc(CCNC(=O)C2(C(=O)[O-])CC2)cc1 ZINC000050292468 527309433 /nfs/dbraw/zinc/30/94/33/527309433.db2.gz XFHNVZNNIALJHU-UHFFFAOYSA-N -1 0 312.347 -0.143 20 0 DBADRM O=S1(=O)[N-]C(CN2CCO[C@@H](CO)C2)=Nc2ccccc21 ZINC000332483120 527317941 /nfs/dbraw/zinc/31/79/41/527317941.db2.gz ABAWQPNPJYLKNR-SNVBAGLBSA-N -1 0 311.363 -0.298 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]OC[C@@H]1CCOC1 ZINC000365092456 527420862 /nfs/dbraw/zinc/42/08/62/527420862.db2.gz ZMCCSHPLOGYXHO-LLVKDONJSA-N -1 0 310.354 -0.145 20 0 DBADRM O=C(Cn1nnc(-c2ccccc2)n1)N[C@]1(C(=O)[O-])CCOC1 ZINC000262083293 527429750 /nfs/dbraw/zinc/42/97/50/527429750.db2.gz DVQXDSUIINSHMZ-CQSZACIVSA-N -1 0 317.305 -0.300 20 0 DBADRM O=C([O-])CC1(NC(=O)CN2CSCC2=O)CCOCC1 ZINC000262423117 527568412 /nfs/dbraw/zinc/56/84/12/527568412.db2.gz CXYUSCQNPFVFMX-UHFFFAOYSA-N -1 0 302.352 -0.341 20 0 DBADRM Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])[nH]n1 ZINC000262526441 527600843 /nfs/dbraw/zinc/60/08/43/527600843.db2.gz ORXXQEYLLRMSIY-CQSZACIVSA-N -1 0 321.337 -0.008 20 0 DBADRM O=C([O-])Cn1cc(CNC(=O)[C@@H]2COc3ccccc3O2)nn1 ZINC000261857844 527642042 /nfs/dbraw/zinc/64/20/42/527642042.db2.gz KDBYTXOUORGECU-LBPRGKRZSA-N -1 0 318.289 -0.181 20 0 DBADRM Cc1[n-]n(C)c(=O)c1C(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000340579195 535253872 /nfs/dbraw/zinc/25/38/72/535253872.db2.gz DHLDTTHAKNBIDX-JTQLQIEISA-N -1 0 300.274 -0.027 20 0 DBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2cn(C)nc2C)cn1 ZINC000288128657 536380561 /nfs/dbraw/zinc/38/05/61/536380561.db2.gz AOHNDUVODLFPPX-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM COC(=O)N(C)CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000299137391 536390490 /nfs/dbraw/zinc/39/04/90/536390490.db2.gz RCEXXVSENVUMRF-UHFFFAOYSA-N -1 0 323.356 -0.454 20 0 DBADRM COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cnc([O-])n(C)c1=O ZINC000274279168 536657544 /nfs/dbraw/zinc/65/75/44/536657544.db2.gz JGWSYYQNZVHKDU-LURJTMIESA-N -1 0 323.227 -0.290 20 0 DBADRM COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000274919516 536726902 /nfs/dbraw/zinc/72/69/02/536726902.db2.gz MPLNYMVCMDQPMJ-QMMMGPOBSA-N -1 0 321.282 -0.664 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-] ZINC000275067144 536805599 /nfs/dbraw/zinc/80/55/99/536805599.db2.gz KNGUTNYNVBQZJB-MRVPVSSYSA-N -1 0 320.323 -0.431 20 0 DBADRM COc1c(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c(C)nn1C ZINC000408382402 536847578 /nfs/dbraw/zinc/84/75/78/536847578.db2.gz CYJAEJUJGXFCPU-MRVPVSSYSA-N -1 0 303.340 -0.414 20 0 DBADRM COC(=O)c1csc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000275255805 536853912 /nfs/dbraw/zinc/85/39/12/536853912.db2.gz LSMIAOFRFSHLKF-LURJTMIESA-N -1 0 309.321 -0.742 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)OC[C@H]1CCN(C(=O)[O-])C1 ZINC000824035680 603613589 /nfs/dbraw/zinc/61/35/89/603613589.db2.gz YGLHTZJUZUMMNY-QMMMGPOBSA-N -1 0 308.356 -0.143 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738140805 598859266 /nfs/dbraw/zinc/85/92/66/598859266.db2.gz WWIZPKLJQOUKFF-JTQLQIEISA-N -1 0 323.334 -0.285 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N(C)C(C)(C)C(=O)[O-] ZINC000262463677 601372633 /nfs/dbraw/zinc/37/26/33/601372633.db2.gz SQUXZAIVWYFGJG-UHFFFAOYSA-N -1 0 324.399 -0.348 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)CCCC(=O)[O-] ZINC000826004982 601638493 /nfs/dbraw/zinc/63/84/93/601638493.db2.gz PORFEEHQBPPGOY-VHSXEESVSA-N -1 0 307.368 -0.050 20 0 DBADRM O=C(CS(=O)(=O)C1CCCC1)N[C@]1(C(=O)[O-])CCOC1 ZINC000262163122 601737589 /nfs/dbraw/zinc/73/75/89/601737589.db2.gz NCNUYJKYGPMIHN-GFCCVEGCSA-N -1 0 305.352 -0.296 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000228852768 601770473 /nfs/dbraw/zinc/77/04/73/601770473.db2.gz OFZFTRSZJAMLEP-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CC[C@H](CCO)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000094951737 602209282 /nfs/dbraw/zinc/20/92/82/602209282.db2.gz HCABJYCUOOOIMY-SECBINFHSA-N -1 0 305.356 -0.345 20 0 DBADRM CN(CCNC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000739687642 602300252 /nfs/dbraw/zinc/30/02/52/602300252.db2.gz DZOZSGAAWMSPQD-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000739530753 602387258 /nfs/dbraw/zinc/38/72/58/602387258.db2.gz JULRSMVQBIHUKM-QMMMGPOBSA-N -1 0 309.388 -0.133 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)s1 ZINC000733720743 678255904 /nfs/dbraw/zinc/25/59/04/678255904.db2.gz VULDUTASUKZFCF-ZCFIWIBFSA-N -1 0 304.349 -0.305 20 0 DBADRM NC(=O)CC[C@H]1CCCN(C(=O)COCCNC(=O)[O-])C1 ZINC000740328293 602665326 /nfs/dbraw/zinc/66/53/26/602665326.db2.gz JYDWALHAYNLICY-SNVBAGLBSA-N -1 0 301.343 -0.225 20 0 DBADRM CC(C)[C@@H](CNC(=O)CC1SC(=N)NC1=O)NC(=O)[O-] ZINC000824111652 602946790 /nfs/dbraw/zinc/94/67/90/602946790.db2.gz UQVTUFPVJYWGFW-RQJHMYQMSA-N -1 0 302.356 -0.049 20 0 DBADRM C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)NC(C)(C)C ZINC000738953395 603073216 /nfs/dbraw/zinc/07/32/16/603073216.db2.gz DQDKLUKCBGCCQO-YIZRAAEISA-N -1 0 301.343 -0.481 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000829689130 603457698 /nfs/dbraw/zinc/45/76/98/603457698.db2.gz ZOGFPYXRSNIIEF-BDAKNGLRSA-N -1 0 307.372 -0.522 20 0 DBADRM Cn1c2[nH]c(CN3CCC(C(=O)[O-])CC3)nc2c(=O)n(C)c1=O ZINC000740275896 596923437 /nfs/dbraw/zinc/92/34/37/596923437.db2.gz WTEIIKHXOOTFIA-UHFFFAOYSA-N -1 0 321.337 -0.743 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)o1 ZINC000818648175 596939076 /nfs/dbraw/zinc/93/90/76/596939076.db2.gz GFCAHLWUOJIGBB-QMMMGPOBSA-N -1 0 316.335 -0.125 20 0 DBADRM O=C([O-])C1CCN(C(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000050603818 596939207 /nfs/dbraw/zinc/93/92/07/596939207.db2.gz ODWSBADCMTYPIV-SECBINFHSA-N -1 0 304.368 -0.073 20 0 DBADRM O=C([O-])CCNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000819484247 596945428 /nfs/dbraw/zinc/94/54/28/596945428.db2.gz BDYLJJIMGAXCMG-UHFFFAOYSA-N -1 0 319.383 -0.283 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000739742643 596955664 /nfs/dbraw/zinc/95/56/64/596955664.db2.gz KNBGOJNBJMUPAY-JOYOIKCWSA-N -1 0 318.333 -0.043 20 0 DBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)CSCC(=O)[O-] ZINC000128296508 596972216 /nfs/dbraw/zinc/97/22/16/596972216.db2.gz MFOSHQBMARQMJI-MRVPVSSYSA-N -1 0 313.422 -0.250 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000040537228 596988076 /nfs/dbraw/zinc/98/80/76/596988076.db2.gz GNQFGOWBVRCZFW-UHFFFAOYSA-N -1 0 315.351 -0.050 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)N(C)CCC(=O)[O-] ZINC000818255797 596990247 /nfs/dbraw/zinc/99/02/47/596990247.db2.gz WHFPIDGZICLRIX-UHFFFAOYSA-N -1 0 309.388 -0.226 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cn1 ZINC000822709246 599234000 /nfs/dbraw/zinc/23/40/00/599234000.db2.gz IPAOKYVDEJQACP-UHFFFAOYSA-N -1 0 306.311 -0.204 20 0 DBADRM O=C([O-])C1CCN(C(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC000738544584 596999423 /nfs/dbraw/zinc/99/94/23/596999423.db2.gz XWUNNLCESIEPFM-UHFFFAOYSA-N -1 0 312.326 -0.566 20 0 DBADRM CCN(C(=O)[C@@H](C)N(C)CCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000818190196 597003053 /nfs/dbraw/zinc/00/30/53/597003053.db2.gz IPLLXLZFCKXAFJ-MNOVXSKESA-N -1 0 320.411 -0.183 20 0 DBADRM CN(CCC(=O)[O-])C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000818429136 597005091 /nfs/dbraw/zinc/00/50/91/597005091.db2.gz QJYSIESKKDYSBW-LLVKDONJSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(C(=O)CSCC(=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000818363373 597014376 /nfs/dbraw/zinc/01/43/76/597014376.db2.gz BBZMJFSILQCUTD-UHFFFAOYSA-N -1 0 324.424 -0.313 20 0 DBADRM COc1c(F)cc(CC(=O)NCC(=O)[O-])cc1S(N)(=O)=O ZINC000739848726 597022206 /nfs/dbraw/zinc/02/22/06/597022206.db2.gz OPPSDPHDSUWQHE-UHFFFAOYSA-N -1 0 320.298 -0.775 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000037411605 597027767 /nfs/dbraw/zinc/02/77/67/597027767.db2.gz MLQGTYHGTWIHPD-UHFFFAOYSA-N -1 0 305.084 -0.027 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N1CCC[C@H](CC(=O)[O-])C1 ZINC000818645799 597041167 /nfs/dbraw/zinc/04/11/67/597041167.db2.gz UVIIOQQSBSMQFR-SECBINFHSA-N -1 0 323.440 -0.403 20 0 DBADRM Cc1nnnn1-c1cc(NC(=O)C(=O)NCC(=O)[O-])ccc1F ZINC000740262114 597045430 /nfs/dbraw/zinc/04/54/30/597045430.db2.gz ZKKYUPLMRBLJON-UHFFFAOYSA-N -1 0 322.256 -0.751 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000740482523 597045557 /nfs/dbraw/zinc/04/55/57/597045557.db2.gz LRPUPRLQANKQCV-UHFFFAOYSA-N -1 0 305.290 -0.282 20 0 DBADRM Cn1ncc2c1nnn(CN1CCC[C@H](CC(=O)[O-])C1)c2=O ZINC000819084647 597045697 /nfs/dbraw/zinc/04/56/97/597045697.db2.gz XORQTAGJCJQFHI-SECBINFHSA-N -1 0 306.326 -0.331 20 0 DBADRM CNC(=O)c1nn(CN(C)CC(=O)[O-])c(=O)c2ccccc21 ZINC000739751292 597055981 /nfs/dbraw/zinc/05/59/81/597055981.db2.gz UAOGWMKOFKSECO-UHFFFAOYSA-N -1 0 304.306 -0.270 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000231020933 597060466 /nfs/dbraw/zinc/06/04/66/597060466.db2.gz CRYLOICMWYFJEP-SNVBAGLBSA-N -1 0 321.399 -0.178 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000740483265 597075412 /nfs/dbraw/zinc/07/54/12/597075412.db2.gz UDHQEJZIBHTDBD-NSHDSACASA-N -1 0 308.290 -0.006 20 0 DBADRM CN1CCc2ccc(NC(=O)C(=O)NCC(=O)[O-])cc2C1=O ZINC000818482080 597107418 /nfs/dbraw/zinc/10/74/18/597107418.db2.gz FTIVOHGEFMYXRP-UHFFFAOYSA-N -1 0 305.290 -0.546 20 0 DBADRM C[C@@H]1NC(C(=O)NCCC(=O)[O-])=NN(c2ccccc2)C1=O ZINC000739199161 597116604 /nfs/dbraw/zinc/11/66/04/597116604.db2.gz TVYHXIAZJULBRN-VIFPVBQESA-N -1 0 304.306 -0.084 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000819696640 597158142 /nfs/dbraw/zinc/15/81/42/597158142.db2.gz XMACGFXQVFYFSZ-ZYTOWTHASA-N -1 0 309.322 -0.170 20 0 DBADRM C[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1)C(=O)[O-] ZINC000738953762 597180815 /nfs/dbraw/zinc/18/08/15/597180815.db2.gz HAVAAWHCMBJTCM-DTWKUNHWSA-N -1 0 304.306 -0.086 20 0 DBADRM CC[C@@H](NC(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)C(=O)[O-] ZINC000818282725 597193866 /nfs/dbraw/zinc/19/38/66/597193866.db2.gz GHVADTXZSDBPBW-MRVPVSSYSA-N -1 0 307.310 -0.019 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)C(=O)[O-] ZINC000818022487 597215394 /nfs/dbraw/zinc/21/53/94/597215394.db2.gz IGBFOUWYTVPTRO-PSASIEDQSA-N -1 0 310.310 -0.410 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cnn(CC(F)(F)F)c1)C(=O)[O-] ZINC000818022009 597216103 /nfs/dbraw/zinc/21/61/03/597216103.db2.gz BKZQZJVQLJJFAT-RXMQYKEDSA-N -1 0 308.216 -0.027 20 0 DBADRM O=C([O-])CCNC(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000819484793 597216663 /nfs/dbraw/zinc/21/66/63/597216663.db2.gz WMVGMDIONCDSSL-CYBMUJFWSA-N -1 0 317.411 -0.032 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)NCCC(=O)[O-])CC1 ZINC000690701252 597217763 /nfs/dbraw/zinc/21/77/63/597217763.db2.gz LLGOKUIMFXTSPF-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(-n2cncn2)nc1)C(=O)[O-] ZINC000818266706 597221006 /nfs/dbraw/zinc/22/10/06/597221006.db2.gz UKAPJAORDSAUEA-SECBINFHSA-N -1 0 318.293 -0.420 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCCC(=O)[O-])C1 ZINC000818645274 597226513 /nfs/dbraw/zinc/22/65/13/597226513.db2.gz HIEOFNHFTIYDAM-SECBINFHSA-N -1 0 307.372 -0.568 20 0 DBADRM C[C@H]1C[C@H](NC(=O)NCCC(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000818090080 597228252 /nfs/dbraw/zinc/22/82/52/597228252.db2.gz NZAWUOBIXGOTSG-WPRPVWTQSA-N -1 0 309.326 -0.312 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)NCCC(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000818090078 597228254 /nfs/dbraw/zinc/22/82/54/597228254.db2.gz NZAWUOBIXGOTSG-SCZZXKLOSA-N -1 0 309.326 -0.312 20 0 DBADRM CN(C)C(=O)c1ccccc1NC(=O)C(=O)NCCC(=O)[O-] ZINC000737949540 597253557 /nfs/dbraw/zinc/25/35/57/597253557.db2.gz BNVVMZMFTLJMLV-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM O=C([O-])CSCC(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000819539621 597267073 /nfs/dbraw/zinc/26/70/73/597267073.db2.gz BYOWBITZKQCSDE-KRTXAFLBSA-N -1 0 315.351 -0.701 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CSCC(=O)[O-] ZINC000694765257 597273601 /nfs/dbraw/zinc/27/36/01/597273601.db2.gz SNKJZEMIHRFWCS-QMMMGPOBSA-N -1 0 310.397 -0.526 20 0 DBADRM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NCCC(=O)[O-] ZINC000818645688 597296915 /nfs/dbraw/zinc/29/69/15/597296915.db2.gz PDCVMKHOHABDFJ-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)[O-] ZINC000037418143 597302806 /nfs/dbraw/zinc/30/28/06/597302806.db2.gz YOFCTCBBGNKTIS-LURJTMIESA-N -1 0 300.292 -0.117 20 0 DBADRM C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000262725600 597306986 /nfs/dbraw/zinc/30/69/86/597306986.db2.gz YUVMLXLKBUOGNI-QMMMGPOBSA-N -1 0 301.324 -0.709 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000817909850 597309542 /nfs/dbraw/zinc/30/95/42/597309542.db2.gz XFQZEGNBPKNRJT-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)NCCCC(=O)[O-])n1 ZINC000818639054 597319973 /nfs/dbraw/zinc/31/99/73/597319973.db2.gz YOKWBNVPEQIYQP-UHFFFAOYSA-N -1 0 318.355 -0.086 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000819467371 597322327 /nfs/dbraw/zinc/32/23/27/597322327.db2.gz WVRWBVNMFWSXMP-SNVBAGLBSA-N -1 0 319.317 -0.181 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)[O-] ZINC000818022494 597326078 /nfs/dbraw/zinc/32/60/78/597326078.db2.gz IGBFOUWYTVPTRO-WPRPVWTQSA-N -1 0 310.310 -0.410 20 0 DBADRM CN(C[C@H]1CN(C(=O)NCCC(=O)[O-])CCO1)c1cccnn1 ZINC000818413458 597329265 /nfs/dbraw/zinc/32/92/65/597329265.db2.gz YOVSMFADTJCINB-NSHDSACASA-N -1 0 323.353 -0.202 20 0 DBADRM O=C([O-])CCNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000819489972 597333799 /nfs/dbraw/zinc/33/37/99/597333799.db2.gz GWIJJGUPFDRMBU-UHFFFAOYSA-N -1 0 316.339 -0.866 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000821530026 597342649 /nfs/dbraw/zinc/34/26/49/597342649.db2.gz VKCOUQCLBPCRQP-UHFFFAOYSA-N -1 0 303.278 -0.534 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000821524857 597342899 /nfs/dbraw/zinc/34/28/99/597342899.db2.gz COYLREKOZWWCAK-UHFFFAOYSA-N -1 0 317.305 -0.144 20 0 DBADRM Cc1nn(C)c(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1C ZINC000821209512 597343386 /nfs/dbraw/zinc/34/33/86/597343386.db2.gz YDAKEXBWKLDBSF-VIFPVBQESA-N -1 0 310.310 -0.713 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000819521559 597359076 /nfs/dbraw/zinc/35/90/76/597359076.db2.gz PSMVPAFRLGHDIZ-SECBINFHSA-N -1 0 308.294 -0.622 20 0 DBADRM CC(=O)N[C@@H](CC(=O)Nc1ccccc1CC(=O)[O-])C(N)=O ZINC000817706110 597361964 /nfs/dbraw/zinc/36/19/64/597361964.db2.gz CUZRCXCIVLFXJT-NSHDSACASA-N -1 0 307.306 -0.368 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cn(Cc3ccccn3)nn2)CCO1 ZINC000819324839 597372441 /nfs/dbraw/zinc/37/24/41/597372441.db2.gz LTVKIIHKSXUBQX-LBPRGKRZSA-N -1 0 317.305 -0.353 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nn2)CCO1 ZINC000738546967 597381627 /nfs/dbraw/zinc/38/16/27/597381627.db2.gz HUIFILWNGCZQMB-JTQLQIEISA-N -1 0 303.278 -0.412 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)CSCC(=O)[O-])C1 ZINC000690669861 597383193 /nfs/dbraw/zinc/38/31/93/597383193.db2.gz YZBQIUVXNRFBDJ-QMMMGPOBSA-N -1 0 310.397 -0.798 20 0 DBADRM Cn1cc(N2CCC[C@@H](N3CCO[C@@H](C(=O)[O-])C3)C2=O)cn1 ZINC000738410113 597384555 /nfs/dbraw/zinc/38/45/55/597384555.db2.gz CRTNLXUKIMHYHZ-VXGBXAGGSA-N -1 0 308.338 -0.299 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000690658940 597384833 /nfs/dbraw/zinc/38/48/33/597384833.db2.gz KTESLPFYQMNJIQ-VIFPVBQESA-N -1 0 307.372 -0.616 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000820890667 597385615 /nfs/dbraw/zinc/38/56/15/597385615.db2.gz LKDJDMWDXSAGHZ-VHSXEESVSA-N -1 0 319.383 -0.616 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000820890668 597385837 /nfs/dbraw/zinc/38/58/37/597385837.db2.gz LKDJDMWDXSAGHZ-ZJUUUORDSA-N -1 0 319.383 -0.616 20 0 DBADRM CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN(C)[C@H](C)C(=O)[O-])C1=O ZINC000820290830 597393949 /nfs/dbraw/zinc/39/39/49/597393949.db2.gz QVJDSWHUVUIBDC-OTYXRUKQSA-N -1 0 323.353 -0.060 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000261681622 597398481 /nfs/dbraw/zinc/39/84/81/597398481.db2.gz HQPJOVBNFBUEHR-WPRPVWTQSA-N -1 0 321.399 -0.483 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C ZINC000819889466 597427802 /nfs/dbraw/zinc/42/78/02/597427802.db2.gz PXBVMGHHFOYEGX-HTQZYQBOSA-N -1 0 317.342 -0.313 20 0 DBADRM C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000036422114 597438628 /nfs/dbraw/zinc/43/86/28/597438628.db2.gz CEOBKYCMQIBZCX-BQBZGAKWSA-N -1 0 303.315 -0.656 20 0 DBADRM O=C([O-])CSCC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000819539789 597443077 /nfs/dbraw/zinc/44/30/77/597443077.db2.gz RUDDXTFBKWAYPW-JTQLQIEISA-N -1 0 316.379 -0.300 20 0 DBADRM CN(CC(=O)N1CCCC[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737976361 597457262 /nfs/dbraw/zinc/45/72/62/597457262.db2.gz YKMWFIOPYWWAQD-WDEREUQCSA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000817753102 597460407 /nfs/dbraw/zinc/46/04/07/597460407.db2.gz KZIUHSZOVNVBEX-ZETCQYMHSA-N -1 0 307.310 -0.067 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000820317133 597460960 /nfs/dbraw/zinc/46/09/60/597460960.db2.gz GHKODNINFGKUKZ-VIFPVBQESA-N -1 0 308.356 -0.982 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000817772269 597470244 /nfs/dbraw/zinc/47/02/44/597470244.db2.gz PHLVAEFQDPILDC-NSHDSACASA-N -1 0 307.354 -0.470 20 0 DBADRM C[C@H](C(=O)[O-])N(C)Cn1nc(CCC(N)=O)n(C)c1=S ZINC000817785399 597481494 /nfs/dbraw/zinc/48/14/94/597481494.db2.gz YVZVEQSAJSVDRU-SSDOTTSWSA-N -1 0 301.372 -0.269 20 0 DBADRM Cn1nc2c(c1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)CCC2 ZINC000821314939 597489836 /nfs/dbraw/zinc/48/98/36/597489836.db2.gz DHJRMPHYZIDNDF-JTQLQIEISA-N -1 0 322.321 -0.841 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCCNC(=O)C2CCC2)CCO1 ZINC000819181597 597492711 /nfs/dbraw/zinc/49/27/11/597492711.db2.gz ITKUVZSAWKZRSJ-NSHDSACASA-N -1 0 313.354 -0.212 20 0 DBADRM C[C@H](OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)[O-] ZINC000737704578 597497402 /nfs/dbraw/zinc/49/74/02/597497402.db2.gz KIOZIWZPKDSCGU-LURJTMIESA-N -1 0 307.262 -0.738 20 0 DBADRM C[C@@H](OC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000737715507 597499907 /nfs/dbraw/zinc/49/99/07/597499907.db2.gz ZQSJBIDRHQNEOC-ZCFIWIBFSA-N -1 0 309.278 -0.794 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)N1CC[C@H](C(=O)[O-])C1)[nH]c2=O ZINC000819084175 597500524 /nfs/dbraw/zinc/50/05/24/597500524.db2.gz DQMGMSFESKLRGX-QMMMGPOBSA-N -1 0 319.321 -0.065 20 0 DBADRM Cc1c(C(=O)O[C@@H](C)C(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000820940054 597506226 /nfs/dbraw/zinc/50/62/26/597506226.db2.gz BZVRAXRRGZLYRK-ZETCQYMHSA-N -1 0 321.289 -0.429 20 0 DBADRM Cc1c(C(=O)O[C@H](C)C(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000820940044 597506297 /nfs/dbraw/zinc/50/62/97/597506297.db2.gz BZVRAXRRGZLYRK-SSDOTTSWSA-N -1 0 321.289 -0.429 20 0 DBADRM CCN(CCCNC(=O)N1CC[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000818202644 597509335 /nfs/dbraw/zinc/50/93/35/597509335.db2.gz LVOJQBVIOAQFFC-SNVBAGLBSA-N -1 0 321.399 -0.226 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000817914470 597510210 /nfs/dbraw/zinc/51/02/10/597510210.db2.gz KXNVWLZFNHJZAX-VIFPVBQESA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCCC(=O)[O-] ZINC000818113514 597512832 /nfs/dbraw/zinc/51/28/32/597512832.db2.gz PKBQZIPFWJUGRA-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCCC(=O)[O-] ZINC000818113518 597512904 /nfs/dbraw/zinc/51/29/04/597512904.db2.gz PKBQZIPFWJUGRA-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM CON(C)C(=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000818552245 597515238 /nfs/dbraw/zinc/51/52/38/597515238.db2.gz HOPNJYXFNBTOML-UHFFFAOYSA-N -1 0 309.278 -0.541 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cccc1-n1cnnn1 ZINC000818778571 597517170 /nfs/dbraw/zinc/51/71/70/597517170.db2.gz YZUGNUILMABJCU-QMMMGPOBSA-N -1 0 318.293 -0.501 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)C(=O)[O-] ZINC000818018405 597518248 /nfs/dbraw/zinc/51/82/48/597518248.db2.gz PXLHQFLLGWDDAT-MRVPVSSYSA-N -1 0 303.278 -0.205 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c(OC)n1 ZINC000818593673 597523136 /nfs/dbraw/zinc/52/31/36/597523136.db2.gz FZSYTAFQTCMFPN-QMMMGPOBSA-N -1 0 323.305 -0.030 20 0 DBADRM CCN(C(=O)CN1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000218296169 597530447 /nfs/dbraw/zinc/53/04/47/597530447.db2.gz HXNRPDBOMZDASD-GHMZBOCLSA-N -1 0 318.395 -0.572 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=S)NCCCN2CCOCC2)C1 ZINC000819281452 597532360 /nfs/dbraw/zinc/53/23/60/597532360.db2.gz TZEVFCMZRYOFGE-LLVKDONJSA-N -1 0 301.412 -0.010 20 0 DBADRM CC(C)[C@H](NC(=O)C(=O)Nc1cccc(C(N)=O)n1)C(=O)[O-] ZINC000820049386 597611105 /nfs/dbraw/zinc/61/11/05/597611105.db2.gz KZHZRAZAABNVBD-VIFPVBQESA-N -1 0 308.294 -0.656 20 0 DBADRM CC(=O)NCCN(C(=O)Nc1nncs1)[C@H](C)C(=O)[O-] ZINC000819752708 597672143 /nfs/dbraw/zinc/67/21/43/597672143.db2.gz AAQOTUDOMGOUFG-ZCFIWIBFSA-N -1 0 301.328 -0.019 20 0 DBADRM CC(=O)NCCN(C(=O)c1cnc(N(C)C)cn1)[C@H](C)C(=O)[O-] ZINC000819758317 597681875 /nfs/dbraw/zinc/68/18/75/597681875.db2.gz XFWZUFAHDXBLCP-SECBINFHSA-N -1 0 323.353 -0.406 20 0 DBADRM CC(=O)NCCN(C(=O)COc1cc(C)on1)[C@@H](C)C(=O)[O-] ZINC000781136484 597689687 /nfs/dbraw/zinc/68/96/87/597689687.db2.gz LYUGACSCMHQDNZ-VIFPVBQESA-N -1 0 313.310 -0.200 20 0 DBADRM CC(=O)NCCN(C(=O)c1c[nH]c(C)cc1=O)[C@@H](C)C(=O)[O-] ZINC000819753303 597690398 /nfs/dbraw/zinc/69/03/98/597690398.db2.gz ZRZBTONRWNMOTD-VIFPVBQESA-N -1 0 309.322 -0.265 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc(=O)n(C)c1)[C@H](C)C(=O)[O-] ZINC000819753122 597693838 /nfs/dbraw/zinc/69/38/38/597693838.db2.gz QICSYKDDJYIYPD-SECBINFHSA-N -1 0 309.322 -0.563 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H](C)CS(C)(=O)=O)[C@H](C)C(=O)[O-] ZINC000819744319 597695080 /nfs/dbraw/zinc/69/50/80/597695080.db2.gz GCEGQKNMDVNDFC-DTWKUNHWSA-N -1 0 322.383 -0.895 20 0 DBADRM CCn1nc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])ccc1=O ZINC000820517882 597697122 /nfs/dbraw/zinc/69/71/22/597697122.db2.gz UMUGSPYBOGZSAH-SECBINFHSA-N -1 0 324.337 -0.685 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)NCCN2CCNC(=O)C2)c1 ZINC000821538410 597701773 /nfs/dbraw/zinc/70/17/73/597701773.db2.gz PAWTVXVTDBOVRI-UHFFFAOYSA-N -1 0 320.349 -0.133 20 0 DBADRM COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NCC(=O)[O-] ZINC000820679650 597702424 /nfs/dbraw/zinc/70/24/24/597702424.db2.gz AXNRUBATEQTYHW-UHFFFAOYSA-N -1 0 310.262 -0.379 20 0 DBADRM O=C([O-])CCNC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000263338169 597712010 /nfs/dbraw/zinc/71/20/10/597712010.db2.gz DUHDDZKECOJXFZ-UHFFFAOYSA-N -1 0 319.383 -0.283 20 0 DBADRM COc1c(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cccc1C(N)=O ZINC000820755072 597726649 /nfs/dbraw/zinc/72/66/49/597726649.db2.gz VDFDFVVIZICUMD-ZCFIWIBFSA-N -1 0 309.278 -0.678 20 0 DBADRM O=C([O-])CNC(=O)C[S@](=O)Cc1nnnn1-c1ccccc1 ZINC000821534320 597736191 /nfs/dbraw/zinc/73/61/91/597736191.db2.gz KVVJHEORLCOBCM-JOCHJYFZSA-N -1 0 323.334 -0.888 20 0 DBADRM COCc1nc(C[S@](=O)CC(=O)NCC(=O)[O-])cs1 ZINC000820749227 597736853 /nfs/dbraw/zinc/73/68/53/597736853.db2.gz KUFSOPXNYIBVAY-IBGZPJMESA-N -1 0 306.365 -0.261 20 0 DBADRM CCOc1cccc(C[S@@](=O)CC(=O)NCC(=O)[O-])n1 ZINC000820391754 597738048 /nfs/dbraw/zinc/73/80/48/597738048.db2.gz KVOLNWINAIALIE-HXUWFJFHSA-N -1 0 300.336 -0.070 20 0 DBADRM COc1ccc(NCC(=O)NCC(=O)[O-])cc1-n1cnnn1 ZINC000820845741 597747021 /nfs/dbraw/zinc/74/70/21/597747021.db2.gz ABACZCLKKKMGRO-UHFFFAOYSA-N -1 0 306.282 -0.716 20 0 DBADRM C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000820214954 597753242 /nfs/dbraw/zinc/75/32/42/597753242.db2.gz LAPCFWBKZOBDDV-ZDUSSCGKSA-N -1 0 306.278 -0.951 20 0 DBADRM CC1(C)NC(=O)N(CCSCC(=O)NCC(=O)[O-])C1=O ZINC000820212035 597754666 /nfs/dbraw/zinc/75/46/66/597754666.db2.gz VLLFFMBYXYMPJQ-UHFFFAOYSA-N -1 0 303.340 -0.749 20 0 DBADRM Cn1cncc1[C@H]1CC(=O)N(CN2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000821310839 597759409 /nfs/dbraw/zinc/75/94/09/597759409.db2.gz RZFQXMYOICMZOJ-CMPLNLGQSA-N -1 0 308.338 -0.521 20 0 DBADRM COc1ccc(S(=O)(=O)N(C)CC(=O)NCC(=O)[O-])cc1 ZINC000820849811 597760506 /nfs/dbraw/zinc/76/05/06/597760506.db2.gz UTICHOKPCDEYIH-UHFFFAOYSA-N -1 0 316.335 -0.484 20 0 DBADRM CS(=O)(=O)N(CC(=O)NCC(=O)[O-])Cc1ccccn1 ZINC000820890634 597760509 /nfs/dbraw/zinc/76/05/09/597760509.db2.gz JKPNWYBWWBNXSG-UHFFFAOYSA-N -1 0 301.324 -0.956 20 0 DBADRM COc1cc(=O)n(CC(=O)NCC(=O)[O-])cc1Br ZINC000820755311 597762987 /nfs/dbraw/zinc/76/29/87/597762987.db2.gz ZMZFVSOSYNXUAV-UHFFFAOYSA-N -1 0 319.111 -0.180 20 0 DBADRM CC(C)c1nc([C@H]2CN(CC(=O)NCC(=O)[O-])CCO2)no1 ZINC000820061619 597772598 /nfs/dbraw/zinc/77/25/98/597772598.db2.gz LQZNDKWFQRBYBS-SECBINFHSA-N -1 0 312.326 -0.233 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000821530275 597793353 /nfs/dbraw/zinc/79/33/53/597793353.db2.gz DEIZMIVGVKCMIL-NSHDSACASA-N -1 0 320.349 -0.067 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC[C@H]1C(=O)Nc1nccs1 ZINC000821530612 597795516 /nfs/dbraw/zinc/79/55/16/597795516.db2.gz NIEJWJCQENIINH-QMMMGPOBSA-N -1 0 312.351 -0.253 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000820554258 597796360 /nfs/dbraw/zinc/79/63/60/597796360.db2.gz KSFRTFPCJYXTLS-NXEZZACHSA-N -1 0 306.384 -0.525 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])Cc1nc(-c2cccnc2)no1 ZINC000820562802 597796917 /nfs/dbraw/zinc/79/69/17/597796917.db2.gz VQPJLDLISMKFSJ-UHFFFAOYSA-N -1 0 305.294 -0.236 20 0 DBADRM C[C@H]1CN=C(N2CCN(CC(=O)NCC(=O)[O-])CC2)S1 ZINC000820251832 597797055 /nfs/dbraw/zinc/79/70/55/597797055.db2.gz LQFPFAZBARNUJI-VIFPVBQESA-N -1 0 300.384 -0.704 20 0 DBADRM C[C@@H]1CN=C(N2CCN(CC(=O)NCC(=O)[O-])CC2)S1 ZINC000820251831 597797075 /nfs/dbraw/zinc/79/70/75/597797075.db2.gz LQFPFAZBARNUJI-SECBINFHSA-N -1 0 300.384 -0.704 20 0 DBADRM Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CC(=O)NCC(=O)[O-])cn1 ZINC000821287485 597805765 /nfs/dbraw/zinc/80/57/65/597805765.db2.gz NWDTWTNDZJHUSL-NEPJUHHUSA-N -1 0 310.354 -0.491 20 0 DBADRM O=C([O-])CNC(=O)CN1CCNC(=O)[C@H]1c1ccccc1F ZINC000821530997 597815950 /nfs/dbraw/zinc/81/59/50/597815950.db2.gz SSJXFCOTEFMPSD-CYBMUJFWSA-N -1 0 309.297 -0.501 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@@H]2CCCCS2(=O)=O)CCO1 ZINC000821511563 597816151 /nfs/dbraw/zinc/81/61/51/597816151.db2.gz YYKACRFTGBGKTI-UWVGGRQHSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cccc(-n2cnnn2)c1 ZINC000821532391 597823169 /nfs/dbraw/zinc/82/31/69/597823169.db2.gz LQQUSVWFIJJPOW-UHFFFAOYSA-N -1 0 305.250 -0.980 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CNC(=O)c1cccc(F)c1 ZINC000821532783 597825198 /nfs/dbraw/zinc/82/51/98/597825198.db2.gz VNTAITDDFDKLRF-UHFFFAOYSA-N -1 0 312.253 -0.701 20 0 DBADRM O=C([O-])CCCOC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000738580980 597825715 /nfs/dbraw/zinc/82/57/15/597825715.db2.gz FKRRDNRNUXAIAS-UHFFFAOYSA-N -1 0 314.319 -0.108 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(-n2cnnn2)cc1 ZINC000821532622 597829692 /nfs/dbraw/zinc/82/96/92/597829692.db2.gz UUDBLDRMJIFCNC-UHFFFAOYSA-N -1 0 305.250 -0.980 20 0 DBADRM Cn1cc(/C=C\C(=O)OCCCCC(=O)[O-])c(=O)n(C)c1=O ZINC000738404747 597830442 /nfs/dbraw/zinc/83/04/42/597830442.db2.gz BYQABMLCQSMFBV-SREVYHEPSA-N -1 0 310.306 -0.105 20 0 DBADRM Cn1c(=O)c2cc(C(=O)OCCCC(=O)[O-])cnc2n(C)c1=O ZINC000821268725 597832284 /nfs/dbraw/zinc/83/22/84/597832284.db2.gz CEYQISXXECRAKB-UHFFFAOYSA-N -1 0 321.289 -0.346 20 0 DBADRM Cc1cc(C(=O)OCC(=O)NCC(=O)[O-])ccc1-n1cnnn1 ZINC000820963751 597833035 /nfs/dbraw/zinc/83/30/35/597833035.db2.gz QKCXUINQDYNTGC-UHFFFAOYSA-N -1 0 319.277 -0.672 20 0 DBADRM C[C@H](NC(=O)C1CCCC1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000820114304 597835429 /nfs/dbraw/zinc/83/54/29/597835429.db2.gz LKJGFUDJOSLFOS-QMMMGPOBSA-N -1 0 300.311 -0.575 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)OCC(=O)NCC(=O)[O-])C1 ZINC000820257128 597835926 /nfs/dbraw/zinc/83/59/26/597835926.db2.gz XTAFNLWPPDCTAY-SECBINFHSA-N -1 0 300.311 -0.621 20 0 DBADRM CCCC(=O)N1CCC[C@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820297363 597839106 /nfs/dbraw/zinc/83/91/06/597839106.db2.gz UTJLIAYNQIGSKW-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC(=O)OCCCC(=O)[O-])c1 ZINC000821310164 597847964 /nfs/dbraw/zinc/84/79/64/597847964.db2.gz ADOKBTIGFOHHJO-UHFFFAOYSA-N -1 0 305.312 -0.894 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCCCC(=O)[O-] ZINC000820149518 597848394 /nfs/dbraw/zinc/84/83/94/597848394.db2.gz XUDLJYUGHDHADR-MRVPVSSYSA-N -1 0 319.339 -0.505 20 0 DBADRM CCN(C(=O)[C@@H](C)N(C)CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000820333148 598039429 /nfs/dbraw/zinc/03/94/29/598039429.db2.gz SQILVMPRPUUKSZ-ZJUUUORDSA-N -1 0 306.384 -0.573 20 0 DBADRM CC(C)[C@@H](NC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC000820041788 598052498 /nfs/dbraw/zinc/05/24/98/598052498.db2.gz RIBZRAUPYMQDOW-SECBINFHSA-N -1 0 301.324 -0.432 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776687618 598087013 /nfs/dbraw/zinc/08/70/13/598087013.db2.gz YZHZCYBSZISJCC-VIFPVBQESA-N -1 0 308.356 -0.525 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)CSCC(=O)[O-])cc1C ZINC000820637392 598093877 /nfs/dbraw/zinc/09/38/77/598093877.db2.gz KAQIMPZWSZRZPO-UHFFFAOYSA-N -1 0 300.340 -0.306 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000820637447 598146295 /nfs/dbraw/zinc/14/62/95/598146295.db2.gz NKJRGTLPXOTRMP-UHFFFAOYSA-N -1 0 305.334 -0.111 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000820637381 598157810 /nfs/dbraw/zinc/15/78/10/598157810.db2.gz JUCOPYNJIGXGOH-UHFFFAOYSA-N -1 0 305.334 -0.111 20 0 DBADRM CCCc1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)n(C)n1 ZINC000820326066 598162035 /nfs/dbraw/zinc/16/20/35/598162035.db2.gz PRSJKSACJBGFRZ-JTQLQIEISA-N -1 0 324.337 -0.377 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)NCCCCC(=O)[O-])CC1 ZINC000820637104 598166473 /nfs/dbraw/zinc/16/64/73/598166473.db2.gz CGMCYGVWVXXDNF-UHFFFAOYSA-N -1 0 314.386 -0.249 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCCCCC(=O)[O-] ZINC000820890779 598167118 /nfs/dbraw/zinc/16/71/18/598167118.db2.gz PSAISVJMZHUGJU-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000821130763 598169657 /nfs/dbraw/zinc/16/96/57/598169657.db2.gz LGBJHPQTHJPLBT-UHFFFAOYSA-N -1 0 321.333 -0.045 20 0 DBADRM COCc1cc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)ncn1 ZINC000820744039 598169663 /nfs/dbraw/zinc/16/96/63/598169663.db2.gz YPTUMRUIQKCQMV-UHFFFAOYSA-N -1 0 322.321 -0.115 20 0 DBADRM CN(C)c1ncc(NC(=O)C(=O)NCCCCC(=O)[O-])cn1 ZINC000820554447 598171775 /nfs/dbraw/zinc/17/17/75/598171775.db2.gz RFWHDYSSDFBAEW-UHFFFAOYSA-N -1 0 309.326 -0.148 20 0 DBADRM NC(=O)c1cc([C@H]2CCCN(C(=O)NCCC(=O)[O-])C2)n[nH]1 ZINC000821352993 598172480 /nfs/dbraw/zinc/17/24/80/598172480.db2.gz GDAMWUBQNQBEKZ-QMMMGPOBSA-N -1 0 309.326 -0.128 20 0 DBADRM COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@@H](C)C(=O)[O-] ZINC000820885577 598175597 /nfs/dbraw/zinc/17/55/97/598175597.db2.gz DYNDQAQRTZIIKF-LURJTMIESA-N -1 0 311.298 -0.921 20 0 DBADRM COC[C@H](O)CCNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820710748 598175897 /nfs/dbraw/zinc/17/58/97/598175897.db2.gz RPVZTPTVRVADRS-SECBINFHSA-N -1 0 310.306 -0.163 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000318060512 598194615 /nfs/dbraw/zinc/19/46/15/598194615.db2.gz UPMORRGKBNHMSZ-LLVKDONJSA-N -1 0 313.354 -0.259 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NCC(=O)NCC1CC1 ZINC000821383538 598205685 /nfs/dbraw/zinc/20/56/85/598205685.db2.gz SSHAFGINYTXCEX-UHFFFAOYSA-N -1 0 319.317 -0.034 20 0 DBADRM C[C@@H](O)c1cn(C2CN(C(=O)CSCC(=O)[O-])C2)nn1 ZINC000820160306 598220636 /nfs/dbraw/zinc/22/06/36/598220636.db2.gz DBWZTSXBGSSLSI-SSDOTTSWSA-N -1 0 300.340 -0.468 20 0 DBADRM CN(CC(C)(C)C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736789028 598392945 /nfs/dbraw/zinc/39/29/45/598392945.db2.gz RWTUBNRVQSJUOU-UHFFFAOYSA-N -1 0 307.358 -0.254 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cccc(-c3nnn[n-]3)c2=O)C[C@H](C)O1 ZINC000736282581 598677027 /nfs/dbraw/zinc/67/70/27/598677027.db2.gz YTZCAEJXDPAZLA-AOOOYVTPSA-N -1 0 318.337 -0.336 20 0 DBADRM C[C@@]1(c2ccc(-c3nn[nH]n3)cc2)NC(=O)N(CC(=O)[O-])C1=O ZINC000820628550 607365952 /nfs/dbraw/zinc/36/59/52/607365952.db2.gz HFWHKFLOBBJRJN-ZDUSSCGKSA-N -1 0 316.277 -0.282 20 0 DBADRM CC[C@H](C)[C@@H](O)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736326644 598773873 /nfs/dbraw/zinc/77/38/73/598773873.db2.gz BZAMTHLPUDRLGI-YUMQZZPRSA-N -1 0 323.357 -0.917 20 0 DBADRM CC(C)[C@H](CCO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000735708712 599322399 /nfs/dbraw/zinc/32/23/99/599322399.db2.gz OAEDJZVASUKMCJ-QMMMGPOBSA-N -1 0 323.357 -0.917 20 0 DBADRM NC(=O)COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000321038322 599709001 /nfs/dbraw/zinc/70/90/01/599709001.db2.gz VUBXQSSDUGIBMR-GFCCVEGCSA-N -1 0 321.333 -0.674 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000736326424 599732323 /nfs/dbraw/zinc/73/23/23/599732323.db2.gz VCEWVHVGZXPOTE-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM CCCS(=O)(=O)NC1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000737035789 599719645 /nfs/dbraw/zinc/71/96/45/599719645.db2.gz SZZDNRNGWVWWNW-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)CCCN(C)C(=O)[O-])CC1 ZINC000737121053 599730605 /nfs/dbraw/zinc/73/06/05/599730605.db2.gz CNHOKOSPQWYHLK-UHFFFAOYSA-N -1 0 314.386 -0.343 20 0 DBADRM Cn1nnc2cc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])ccc21 ZINC000739062464 599732345 /nfs/dbraw/zinc/73/23/45/599732345.db2.gz QIDMKGDRYGPPQK-LLVKDONJSA-N -1 0 317.305 -0.616 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC000736133870 599733132 /nfs/dbraw/zinc/73/31/32/599733132.db2.gz FQFMZPLHDGXXQC-UHFFFAOYSA-N -1 0 320.349 -0.326 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)s1 ZINC000739189073 599736429 /nfs/dbraw/zinc/73/64/29/599736429.db2.gz JZQDGQPFPOCLQW-LURJTMIESA-N -1 0 304.349 -0.058 20 0 DBADRM CNS(=O)(=O)c1ccc(CNC(=O)CCNC(=O)[O-])s1 ZINC000737559148 599743984 /nfs/dbraw/zinc/74/39/84/599743984.db2.gz QTPVTCINVTZWQH-UHFFFAOYSA-N -1 0 321.380 -0.070 20 0 DBADRM NS(=O)(=O)Nc1cccc(NC(=O)CCNC(=O)[O-])c1 ZINC000739191806 599744487 /nfs/dbraw/zinc/74/44/87/599744487.db2.gz XHIITNDOKLTKTP-UHFFFAOYSA-N -1 0 302.312 -0.102 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCN1C(=O)COc2ccccc21 ZINC000075217672 599744873 /nfs/dbraw/zinc/74/48/73/599744873.db2.gz BXUUDFBKRQQCAM-SECBINFHSA-N -1 0 308.290 -0.636 20 0 DBADRM COC(=O)[C@@H](CO)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000737580526 599745381 /nfs/dbraw/zinc/74/53/81/599745381.db2.gz VNTCAMRDZUHJJX-LLVKDONJSA-N -1 0 320.301 -0.010 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000739269446 599745693 /nfs/dbraw/zinc/74/56/93/599745693.db2.gz XJZDVVBZDKJGEM-SNVBAGLBSA-N -1 0 321.289 -0.946 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCCNC(=O)c1ccsc1 ZINC000739234861 599745772 /nfs/dbraw/zinc/74/57/72/599745772.db2.gz ZFWCHXPDPAAGKX-VIFPVBQESA-N -1 0 300.336 -0.180 20 0 DBADRM C[C@@H](OC(=O)CNC(=O)CC1CCCC1)C(=O)NCC(=O)[O-] ZINC000736694463 599748612 /nfs/dbraw/zinc/74/86/12/599748612.db2.gz VKTUWLDKKVZDLK-SECBINFHSA-N -1 0 314.338 -0.185 20 0 DBADRM CC(C)[C@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])N1CCCC1=O ZINC000736686499 599750772 /nfs/dbraw/zinc/75/07/72/599750772.db2.gz SQRNIOYEAOFQDM-JOYOIKCWSA-N -1 0 314.338 -0.234 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccc(NC(N)=O)c1 ZINC000737608455 599753911 /nfs/dbraw/zinc/75/39/11/599753911.db2.gz GSPSVQZVKMNQAD-UHFFFAOYSA-N -1 0 309.278 -0.123 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cn1nnc2ccccc2c1=O ZINC000737617654 599756117 /nfs/dbraw/zinc/75/61/17/599756117.db2.gz JKTMVDSKVZYLEM-UHFFFAOYSA-N -1 0 306.278 -0.691 20 0 DBADRM Cc1nnc2ccc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])cn12 ZINC000738931614 599769541 /nfs/dbraw/zinc/76/95/41/599769541.db2.gz KWZURJLVPYOXKR-JTQLQIEISA-N -1 0 317.305 -0.547 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CCO1 ZINC000133026400 599779210 /nfs/dbraw/zinc/77/92/10/599779210.db2.gz YFNAXHZATSSIEN-QMMMGPOBSA-N -1 0 319.291 -0.460 20 0 DBADRM NC(=O)c1ccc(N2CCN(C(=O)CCNC(=O)[O-])CC2)nc1 ZINC000739177437 599783939 /nfs/dbraw/zinc/78/39/39/599783939.db2.gz OCCLKBYHYKSQKE-UHFFFAOYSA-N -1 0 321.337 -0.513 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1ccc(N2CCCC2)nn1 ZINC000739733010 599784639 /nfs/dbraw/zinc/78/46/39/599784639.db2.gz CTZGNPSLCYUEOE-UHFFFAOYSA-N -1 0 322.321 -0.176 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)N2CCNC(=O)C2)c(C(=O)[O-])c1C ZINC000736182538 599791457 /nfs/dbraw/zinc/79/14/57/599791457.db2.gz QFDYMEJSCHQBJM-UHFFFAOYSA-N -1 0 307.306 -0.275 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)OCCN1C(=O)NC(C)(C)C1=O ZINC000736336922 599862401 /nfs/dbraw/zinc/86/24/01/599862401.db2.gz KZEACCSCAIEQCZ-UHFFFAOYSA-N -1 0 301.299 -0.094 20 0 DBADRM O=C([O-])CCCCNC(=O)NCCCN1C(=O)CNC1=O ZINC000739671144 599882104 /nfs/dbraw/zinc/88/21/04/599882104.db2.gz VGEGFVGSZKKSSM-UHFFFAOYSA-N -1 0 300.315 -0.518 20 0 DBADRM C[C@@H](OC(=O)c1ccc(NCCO)cc1)C(=O)NCC(=O)[O-] ZINC000736690146 599882296 /nfs/dbraw/zinc/88/22/96/599882296.db2.gz MHTKOBFJEQFWRW-SECBINFHSA-N -1 0 310.306 -0.163 20 0 DBADRM O=C([O-])CSCCNC(=O)CCN1CCCS1(=O)=O ZINC000262445745 599889008 /nfs/dbraw/zinc/88/90/08/599889008.db2.gz VOBMBYAVZZFCNL-UHFFFAOYSA-N -1 0 310.397 -0.654 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Cc2csc(-c3nc[nH]n3)n2)CCO1 ZINC000738546908 599903618 /nfs/dbraw/zinc/90/36/18/599903618.db2.gz UKQFNOWESWMGQN-MRVPVSSYSA-N -1 0 323.334 -0.217 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCCSCC(=O)[O-])cc1 ZINC000739188983 599904467 /nfs/dbraw/zinc/90/44/67/599904467.db2.gz IMQLGIKLKGSTLT-UHFFFAOYSA-N -1 0 318.376 -0.118 20 0 DBADRM COc1ncccc1NC(=O)C(=O)NCCSCC(=O)[O-] ZINC000738146476 599909762 /nfs/dbraw/zinc/90/97/62/599909762.db2.gz VBCNRZQSCRAMJE-UHFFFAOYSA-N -1 0 313.335 -0.037 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC(Nc2cccnn2)CC1 ZINC000736210175 599914757 /nfs/dbraw/zinc/91/47/57/599914757.db2.gz WTJUPUPNXBHYAT-JTQLQIEISA-N -1 0 307.354 -0.058 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCCN(Cc2cnn(C)c2)CC1 ZINC000736207988 599917286 /nfs/dbraw/zinc/91/72/86/599917286.db2.gz LTYNZBRAMQGZLS-GFCCVEGCSA-N -1 0 323.397 -0.483 20 0 DBADRM NC(=O)CCNC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000739158222 599917711 /nfs/dbraw/zinc/91/77/11/599917711.db2.gz VZEIODFQXSVQRV-UWVGGRQHSA-N -1 0 319.317 -0.049 20 0 DBADRM COCCS(=O)(=O)CC(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000737825438 599918193 /nfs/dbraw/zinc/91/81/93/599918193.db2.gz KLBKQUWPVQGTNT-SECBINFHSA-N -1 0 307.368 -0.241 20 0 DBADRM COCCN(C(=O)CCNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737764146 599918225 /nfs/dbraw/zinc/91/82/25/599918225.db2.gz FIYXMKQKTCZIBB-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM O=C([O-])/C=C1\SCC(=O)N1CCCN1CCn2cnnc2C1 ZINC000739623907 599918423 /nfs/dbraw/zinc/91/84/23/599918423.db2.gz HFNJCNKJELSSAD-SDQBBNPISA-N -1 0 323.378 -0.015 20 0 DBADRM Cc1cc(C)n(C[C@@H]2CN(CC(=O)NCCC(=O)[O-])CCO2)n1 ZINC000738367789 599919757 /nfs/dbraw/zinc/91/97/57/599919757.db2.gz ADJIUKWBEAQZHX-ZDUSSCGKSA-N -1 0 324.381 -0.208 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCN(C[C@@H](C)O)CC1)C(=O)[O-] ZINC000736413855 599921233 /nfs/dbraw/zinc/92/12/33/599921233.db2.gz VOMLOMCVHYOEGM-OLZOCXBDSA-N -1 0 315.414 -0.400 20 0 DBADRM Cc1ccc(N(C)C2CCN(CC(=O)NCC(=O)[O-])CC2)nn1 ZINC000738609160 599921759 /nfs/dbraw/zinc/92/17/59/599921759.db2.gz ZUCWLCMIQPBMAE-UHFFFAOYSA-N -1 0 321.381 -0.114 20 0 DBADRM Cc1nc(CN2CCN(CC(=O)NCC(=O)[O-])CC2)oc1C ZINC000738857148 599921826 /nfs/dbraw/zinc/92/18/26/599921826.db2.gz IWXJUTPYQNLGPH-UHFFFAOYSA-N -1 0 310.354 -0.390 20 0 DBADRM Cc1ccc(N2CCCN(CC(=O)NCC(=O)[O-])CC2)nn1 ZINC000738614103 599921940 /nfs/dbraw/zinc/92/19/40/599921940.db2.gz CWTOLYOHGGLWRX-UHFFFAOYSA-N -1 0 307.354 -0.502 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN(C)C[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC000736880218 599923469 /nfs/dbraw/zinc/92/34/69/599923469.db2.gz UXUJXGBYKBITOC-OBJOEFQTSA-N -1 0 315.414 -0.136 20 0 DBADRM O=C([O-])CCNC(=O)CSc1nnnn1C1CCOCC1 ZINC000739734098 599926190 /nfs/dbraw/zinc/92/61/90/599926190.db2.gz QTQUUKNWBLSOOZ-UHFFFAOYSA-N -1 0 315.355 -0.292 20 0 DBADRM C[C@H](Cn1cncn1)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736629092 599938948 /nfs/dbraw/zinc/93/89/48/599938948.db2.gz IZVDYQVEJZRBOK-SSDOTTSWSA-N -1 0 300.296 -0.064 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCC1 ZINC000262985132 599939477 /nfs/dbraw/zinc/93/94/77/599939477.db2.gz NQJABOJILFVBMR-SECBINFHSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCO1 ZINC000261839230 599941811 /nfs/dbraw/zinc/94/18/11/599941811.db2.gz CGSLDQFMPUHWLM-HTQZYQBOSA-N -1 0 324.255 -0.291 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CCCNC(=O)C1 ZINC000738521160 599953632 /nfs/dbraw/zinc/95/36/32/599953632.db2.gz UVKMZQGPLPAPLQ-UHFFFAOYSA-N -1 0 319.317 -0.020 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCCNC(=O)C2)cc1 ZINC000738721341 599954056 /nfs/dbraw/zinc/95/40/56/599954056.db2.gz UXPVJXQSQKBWNE-UHFFFAOYSA-N -1 0 305.290 -0.328 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000737615696 599954914 /nfs/dbraw/zinc/95/49/14/599954914.db2.gz PBWBDBDOBXVQOS-UWVGGRQHSA-N -1 0 310.306 -0.545 20 0 DBADRM Cc1cc(-n2c(C)cn(CN3CCO[C@H](C(=O)[O-])C3)c2=O)no1 ZINC000738203250 599955015 /nfs/dbraw/zinc/95/50/15/599955015.db2.gz ZIGFZXNRNDTCMV-NSHDSACASA-N -1 0 322.321 -0.013 20 0 DBADRM Nc1cccc2c1C(=O)N(CN1CCO[C@H](C(=O)[O-])C1)C2=O ZINC000738449228 599955825 /nfs/dbraw/zinc/95/58/25/599955825.db2.gz DTFPCCAUVKSSGT-JTQLQIEISA-N -1 0 305.290 -0.392 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000736876564 599959718 /nfs/dbraw/zinc/95/97/18/599959718.db2.gz IFUDSERSHOIPLT-JBLDHEPKSA-N -1 0 320.411 -0.279 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000736876566 599959861 /nfs/dbraw/zinc/95/98/61/599959861.db2.gz IFUDSERSHOIPLT-NHCYSSNCSA-N -1 0 320.411 -0.279 20 0 DBADRM O=C([O-])[C@@H]1CN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCO1 ZINC000739615786 599967406 /nfs/dbraw/zinc/96/74/06/599967406.db2.gz NTZCMKUNMYLJCM-XQQFMLRXSA-N -1 0 312.366 -0.058 20 0 DBADRM O=C([O-])[C@@H]1CN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CCO1 ZINC000739615784 599967766 /nfs/dbraw/zinc/96/77/66/599967766.db2.gz NTZCMKUNMYLJCM-AVGNSLFASA-N -1 0 312.366 -0.058 20 0 DBADRM CNC(=O)c1ccc(CN2C(=O)N[C@@H](CC(=O)[O-])C2=O)cc1 ZINC000737547722 599969230 /nfs/dbraw/zinc/96/92/30/599969230.db2.gz ZAPDHECETNEIBI-JTQLQIEISA-N -1 0 305.290 -0.059 20 0 DBADRM CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736440668 599971890 /nfs/dbraw/zinc/97/18/90/599971890.db2.gz UMZIUCBRNMZCMS-NXEZZACHSA-N -1 0 301.343 -0.358 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCO[C@@H](C(=O)[O-])C1)C(=O)OC ZINC000736881979 599974512 /nfs/dbraw/zinc/97/45/12/599974512.db2.gz GPYBHJVCOUVTDB-HOSYDEDBSA-N -1 0 316.354 -0.524 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCO[C@H](C(=O)[O-])C1)C(=O)OC ZINC000736881984 599974661 /nfs/dbraw/zinc/97/46/61/599974661.db2.gz GPYBHJVCOUVTDB-NHCYSSNCSA-N -1 0 316.354 -0.524 20 0 DBADRM COc1ccc(C(=O)NC(=O)CN2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000737922080 599975265 /nfs/dbraw/zinc/97/52/65/599975265.db2.gz HMEMRQSRZXWVEP-GFCCVEGCSA-N -1 0 322.317 -0.263 20 0 DBADRM COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000737576715 599975313 /nfs/dbraw/zinc/97/53/13/599975313.db2.gz VAMBIJFVRROZHS-GHMZBOCLSA-N -1 0 316.354 -0.524 20 0 DBADRM CN(C(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-])c1ccccc1 ZINC000315358539 599980897 /nfs/dbraw/zinc/98/08/97/599980897.db2.gz IDBULOWMUAKNFX-LBPRGKRZSA-N -1 0 305.334 -0.076 20 0 DBADRM CC(=O)Nc1nc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cs1 ZINC000071244857 599983540 /nfs/dbraw/zinc/98/35/40/599983540.db2.gz WNVZTVCVUXKWDT-VIFPVBQESA-N -1 0 312.351 -0.123 20 0 DBADRM O=C([O-])c1ccc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cn1 ZINC000740303471 599987179 /nfs/dbraw/zinc/98/71/79/599987179.db2.gz KCGHLGQTSNPNLM-JTQLQIEISA-N -1 0 303.274 -0.201 20 0 DBADRM CCOC(=O)c1cnn(C)c1NC(=O)CN1CC[C@H](C(=O)[O-])C1 ZINC000737155504 599990879 /nfs/dbraw/zinc/99/08/79/599990879.db2.gz XGJSYMRHOUFPIK-VIFPVBQESA-N -1 0 324.337 -0.058 20 0 DBADRM CCCC1N=NC(=S)N1CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000737047227 599990964 /nfs/dbraw/zinc/99/09/64/599990964.db2.gz RZDMLIQNHPCPDH-QMMMGPOBSA-N -1 0 314.367 -0.169 20 0 DBADRM CCOC(=O)c1cnn(C)c1NC(=O)CN1CC[C@@H](C(=O)[O-])C1 ZINC000737155502 599991106 /nfs/dbraw/zinc/99/11/06/599991106.db2.gz XGJSYMRHOUFPIK-SECBINFHSA-N -1 0 324.337 -0.058 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)CN1Cc2ccccc2C1=O ZINC000739733492 599992222 /nfs/dbraw/zinc/99/22/22/599992222.db2.gz DLPMCTGZBFDLBC-UHFFFAOYSA-N -1 0 320.301 -0.224 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)c1cncc(F)c1 ZINC000071241251 599994291 /nfs/dbraw/zinc/99/42/91/599994291.db2.gz GKZKJCKOXHALNH-VIFPVBQESA-N -1 0 317.298 -0.816 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCCN2C(=O)CCC2=O)CCO1 ZINC000738547354 599997482 /nfs/dbraw/zinc/99/74/82/599997482.db2.gz YANUEPUDHUODLS-SECBINFHSA-N -1 0 313.310 -0.980 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CS(=O)(=O)CC(C)C ZINC000737604229 600007807 /nfs/dbraw/zinc/00/78/07/600007807.db2.gz BRDHOWYZCNZAQV-UHFFFAOYSA-N -1 0 309.340 -0.857 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc2c([nH]c1=O)CCC2 ZINC000737609719 600008308 /nfs/dbraw/zinc/00/83/08/600008308.db2.gz FBKBLNJEMRXMDZ-UHFFFAOYSA-N -1 0 308.290 -0.024 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N(CC(=O)[O-])CC(=O)OC ZINC000736839923 600010080 /nfs/dbraw/zinc/01/00/80/600010080.db2.gz OAKNQJNCOWDQHN-QMMMGPOBSA-N -1 0 318.351 -0.616 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000737608996 600010272 /nfs/dbraw/zinc/01/02/72/600010272.db2.gz RRDYLQFQAWUQMI-UHFFFAOYSA-N -1 0 307.262 -0.032 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccc(OCC(N)=O)c1 ZINC000737612931 600010594 /nfs/dbraw/zinc/01/05/94/600010594.db2.gz KVBAECYMPRANJQ-UHFFFAOYSA-N -1 0 324.289 -0.750 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cn(-c2ccccc2)nn1 ZINC000737613546 600010767 /nfs/dbraw/zinc/01/07/67/600010767.db2.gz RFPKPMUHZRQLDR-UHFFFAOYSA-N -1 0 318.289 -0.033 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc2c(c1)nnn2C ZINC000737609313 600011103 /nfs/dbraw/zinc/01/11/03/600011103.db2.gz XHLNMRDWQYZRNA-UHFFFAOYSA-N -1 0 306.278 -0.332 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cc1cc(=O)n2ccsc2n1 ZINC000737614599 600012998 /nfs/dbraw/zinc/01/29/98/600012998.db2.gz DVBCXHSRJFESGQ-UHFFFAOYSA-N -1 0 311.319 -0.184 20 0 DBADRM COC(=O)CN(CCCN1C(=O)NC(C)(C)C1=O)CC(=O)[O-] ZINC000737619412 600013718 /nfs/dbraw/zinc/01/37/18/600013718.db2.gz GZKYZSRKHUBZGE-UHFFFAOYSA-N -1 0 315.326 -0.734 20 0 DBADRM CCN(CC(=O)[O-])C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000737070199 600025855 /nfs/dbraw/zinc/02/58/55/600025855.db2.gz MMPFKKJVJUVRIH-UHFFFAOYSA-N -1 0 323.309 -0.772 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)NC(C)(C)C(=O)[O-])CC1 ZINC000040910482 600028288 /nfs/dbraw/zinc/02/82/88/600028288.db2.gz CUPALEBNGQZGIT-UHFFFAOYSA-N -1 0 308.356 -0.431 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CC(=O)N1CCCCC1)c2=O ZINC000739920339 600030798 /nfs/dbraw/zinc/03/07/98/600030798.db2.gz LLZUNGGMOCLEGI-UHFFFAOYSA-N -1 0 319.321 -0.310 20 0 DBADRM CC(C)(CNC(=S)NCCCC(=O)[O-])NS(C)(=O)=O ZINC000736325111 600032122 /nfs/dbraw/zinc/03/21/22/600032122.db2.gz VQUROWLWZOQPDX-UHFFFAOYSA-N -1 0 311.429 -0.357 20 0 DBADRM C[C@@H](CNC(=O)N1CCO[C@H](C(=O)[O-])C1)N1CCOCC1 ZINC000736595268 600034547 /nfs/dbraw/zinc/03/45/47/600034547.db2.gz KKTDLVAKWGATFJ-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM NC(=O)c1cccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000738446690 600035842 /nfs/dbraw/zinc/03/58/42/600035842.db2.gz CZMFPNWAOKHAQZ-NSHDSACASA-N -1 0 307.306 -0.220 20 0 DBADRM CC[C@@H](C)NC(=O)CCNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000045013945 600036576 /nfs/dbraw/zinc/03/65/76/600036576.db2.gz JFOBJGOVUOLMPI-NXEZZACHSA-N -1 0 301.343 -0.214 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000737384579 600036793 /nfs/dbraw/zinc/03/67/93/600036793.db2.gz GNAGYRYRNDCADN-MNOVXSKESA-N -1 0 318.395 -0.572 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000737384577 600036820 /nfs/dbraw/zinc/03/68/20/600036820.db2.gz GNAGYRYRNDCADN-GHMZBOCLSA-N -1 0 318.395 -0.572 20 0 DBADRM COC(=O)N1CCC(NC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000737633608 600037928 /nfs/dbraw/zinc/03/79/28/600037928.db2.gz OLSFPCZBZKSITC-JTQLQIEISA-N -1 0 315.326 -0.288 20 0 DBADRM C[C@@H]1CN(CCNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC000736805939 600040253 /nfs/dbraw/zinc/04/02/53/600040253.db2.gz AJQDQPALLNRIGI-GHMZBOCLSA-N -1 0 301.343 -0.798 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1Cc1nnnn1-c1ccccc1 ZINC000391280292 600042164 /nfs/dbraw/zinc/04/21/64/600042164.db2.gz KOOHCJUIKBBOKN-NSHDSACASA-N -1 0 316.321 -0.563 20 0 DBADRM NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000042477511 600058265 /nfs/dbraw/zinc/05/82/65/600058265.db2.gz RRIRXHAIBWDPMM-QWRGUYRKSA-N -1 0 312.347 -0.287 20 0 DBADRM C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(C[C@@H](F)C(=O)[O-])C1=O ZINC000736739194 600059038 /nfs/dbraw/zinc/05/90/38/600059038.db2.gz YROAPHRMRWRBSV-OTYXRUKQSA-N -1 0 323.280 -0.025 20 0 DBADRM Cn1c(=O)c2cc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])cnc2n(C)c1=O ZINC000739006486 600064052 /nfs/dbraw/zinc/06/40/52/600064052.db2.gz UJRNDEQJBILBIE-JGVFFNPUSA-N -1 0 318.289 -0.709 20 0 DBADRM CCCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000737025332 600071114 /nfs/dbraw/zinc/07/11/14/600071114.db2.gz UFSOXVKLKSGZLE-NEPJUHHUSA-N -1 0 311.382 -0.186 20 0 DBADRM CS(=O)(=O)CCN1CCC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000738153292 600073443 /nfs/dbraw/zinc/07/34/43/600073443.db2.gz PGMYGQJCUQMJLI-QWRGUYRKSA-N -1 0 318.395 -0.668 20 0 DBADRM CN(CCc1ccccn1)C(=O)CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000737447030 600090685 /nfs/dbraw/zinc/09/06/85/600090685.db2.gz GFLZULHHECVKGJ-NWDGAFQWSA-N -1 0 305.334 -0.081 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000231019633 600096807 /nfs/dbraw/zinc/09/68/07/600096807.db2.gz MNHSIAGCBIRUNJ-UHFFFAOYSA-N -1 0 321.399 -0.132 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000231021136 600097037 /nfs/dbraw/zinc/09/70/37/600097037.db2.gz FSWABKKDZBOCRC-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCOC[C@@H]2CCOC2)CCO1 ZINC000738546972 600098805 /nfs/dbraw/zinc/09/88/05/600098805.db2.gz VQIAGHFCJDENAU-MNOVXSKESA-N -1 0 302.327 -0.466 20 0 DBADRM CCCCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000736996225 600105413 /nfs/dbraw/zinc/10/54/13/600105413.db2.gz UUFRBFBMPZUBNM-RYUDHWBXSA-N -1 0 311.382 -0.232 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000739544510 600106033 /nfs/dbraw/zinc/10/60/33/600106033.db2.gz IZLMIAFJTBZLJH-VXGBXAGGSA-N -1 0 309.366 -0.526 20 0 DBADRM CN1CCN(C(=O)C2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)CC1 ZINC000737514908 600110056 /nfs/dbraw/zinc/11/00/56/600110056.db2.gz DJJAVYSAJLBECB-CHWSQXEVSA-N -1 0 323.393 -0.280 20 0 DBADRM CN1CCN(C(=O)C2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)CC1 ZINC000737514911 600110270 /nfs/dbraw/zinc/11/02/70/600110270.db2.gz DJJAVYSAJLBECB-QWHCGFSZSA-N -1 0 323.393 -0.280 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000739547532 600113018 /nfs/dbraw/zinc/11/30/18/600113018.db2.gz KARTYPJCDDOYFZ-RYUDHWBXSA-N -1 0 319.365 -0.565 20 0 DBADRM COCCN1C(C(=O)[O-])=NC2=NS(=O)(=O)c3ccccc3N21 ZINC000737807716 600115603 /nfs/dbraw/zinc/11/56/03/600115603.db2.gz IZTGAPYRTIUSTA-UHFFFAOYSA-N -1 0 324.318 -0.089 20 0 DBADRM Cn1c2[nH]c(CN3CCC[C@@H](C(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000739003653 600137000 /nfs/dbraw/zinc/13/70/00/600137000.db2.gz LOTQQZJVJYGZFD-MRVPVSSYSA-N -1 0 321.337 -0.743 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000388789061 600140009 /nfs/dbraw/zinc/14/00/09/600140009.db2.gz IGZSPUOWVWRNHW-ZJUUUORDSA-N -1 0 308.290 -0.126 20 0 DBADRM O=C([O-])CCNC(=O)CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000739733338 600143384 /nfs/dbraw/zinc/14/33/84/600143384.db2.gz BKPBYHZVYWBIFB-SNVBAGLBSA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)CNC(=O)c1ccc(O)cc1 ZINC000739733667 600164974 /nfs/dbraw/zinc/16/49/74/600164974.db2.gz NMDWDYVXMZEPIJ-UHFFFAOYSA-N -1 0 324.289 -0.744 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000736263224 600166886 /nfs/dbraw/zinc/16/68/86/600166886.db2.gz RIEVSJDRXGRMCD-YUMQZZPRSA-N -1 0 300.311 -0.719 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000739555631 600168655 /nfs/dbraw/zinc/16/86/55/600168655.db2.gz FGEKQVVRKKWIAH-VHSXEESVSA-N -1 0 313.306 -0.384 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc2nnc(C)n2c1 ZINC000737609048 600170553 /nfs/dbraw/zinc/17/05/53/600170553.db2.gz USJYDTMXRMMGQP-UHFFFAOYSA-N -1 0 306.278 -0.262 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1cccc[n+]1[O-] ZINC000739785184 600171643 /nfs/dbraw/zinc/17/16/43/600171643.db2.gz ANCWTTODOWJMDA-UHFFFAOYSA-N -1 0 309.322 -0.821 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)C[C@@H]1CCCO1 ZINC000739785585 600172506 /nfs/dbraw/zinc/17/25/06/600172506.db2.gz PRDWVCSTCXLXKJ-LBPRGKRZSA-N -1 0 300.355 -0.199 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000738500439 600177962 /nfs/dbraw/zinc/17/79/62/600177962.db2.gz JEYQXKZJOXJPQN-UHFFFAOYSA-N -1 0 320.305 -0.264 20 0 DBADRM O=C([O-])CCCCCNC(=O)NCCN1C(=O)CNC1=O ZINC000739668320 600178514 /nfs/dbraw/zinc/17/85/14/600178514.db2.gz QSDRTCBKXLHPHT-UHFFFAOYSA-N -1 0 300.315 -0.518 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@]23CCC(=O)N2CCS3)n[nH]1 ZINC000739900421 600182268 /nfs/dbraw/zinc/18/22/68/600182268.db2.gz KHFPRWPPSLKKBJ-LLVKDONJSA-N -1 0 311.323 -0.564 20 0 DBADRM COC(=O)C[C@H]1CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821659131 607421369 /nfs/dbraw/zinc/42/13/69/607421369.db2.gz SDFVAFUMIGVVJZ-MRVPVSSYSA-N -1 0 320.313 -0.988 20 0 DBADRM C[C@H](CC(=O)[O-])S(=O)(=O)CC(=O)NCC(=O)N1CCCC1 ZINC000736550369 600191851 /nfs/dbraw/zinc/19/18/51/600191851.db2.gz OZAGMYGIQOICKY-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM Cn1cccc(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)c1=O ZINC000738405915 600193679 /nfs/dbraw/zinc/19/36/79/600193679.db2.gz COZJAJAJFTWCLL-UHFFFAOYSA-N -1 0 322.317 -0.135 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000736614803 600197467 /nfs/dbraw/zinc/19/74/67/600197467.db2.gz KGCBLZHJHMVIFO-OPRDCNLKSA-N -1 0 307.368 -0.194 20 0 DBADRM CCN1CCN(CC(=O)N[C@@](C)(C(=O)[O-])C2CC2)C(=O)C1=O ZINC000737116093 600199341 /nfs/dbraw/zinc/19/93/41/600199341.db2.gz SSNHZTRSXCTMLZ-CQSZACIVSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@@H](OC(=O)CCNC(=O)[O-])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000736685902 600203341 /nfs/dbraw/zinc/20/33/41/600203341.db2.gz DZPIIRABYVDXCZ-RKDXNWHRSA-N -1 0 315.326 -0.700 20 0 DBADRM NC(=O)CNC(=O)c1cccc(OC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000739162600 600203449 /nfs/dbraw/zinc/20/34/49/600203449.db2.gz CMBONAAEYFYWBL-UWVGGRQHSA-N -1 0 306.274 -0.472 20 0 DBADRM CNC(=O)CCN(C)c1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000234377639 600208778 /nfs/dbraw/zinc/20/87/78/600208778.db2.gz ISTDWNNWODFZEP-UHFFFAOYSA-N -1 0 315.351 -0.396 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)OCC(=O)NCCC(=O)[O-])o1 ZINC000738175907 600216454 /nfs/dbraw/zinc/21/64/54/600216454.db2.gz SEPHLUVZIFHNMA-UHFFFAOYSA-N -1 0 319.291 -0.569 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000037270987 600219883 /nfs/dbraw/zinc/21/98/83/600219883.db2.gz JULPITQOUOWFSA-UHFFFAOYSA-N -1 0 300.336 -0.108 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000739809641 600220096 /nfs/dbraw/zinc/22/00/96/600220096.db2.gz ZAZYAIBCOLNZRI-LLVKDONJSA-N -1 0 309.322 -0.439 20 0 DBADRM CCN1CCO[C@H](CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000229079713 600242724 /nfs/dbraw/zinc/24/27/24/600242724.db2.gz PIADZPCBEBAGKQ-GHMZBOCLSA-N -1 0 301.343 -0.798 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc2nnc(C)n2c1 ZINC000737575927 600242778 /nfs/dbraw/zinc/24/27/78/600242778.db2.gz RWEYPBXSTAZYQB-SECBINFHSA-N -1 0 306.278 -0.216 20 0 DBADRM CCN1CCO[C@H](CNC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000166197280 600242860 /nfs/dbraw/zinc/24/28/60/600242860.db2.gz PIADZPCBEBAGKQ-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H](C)OC[C@H]1CCCO1)C(=O)[O-] ZINC000737598424 600246125 /nfs/dbraw/zinc/24/61/25/600246125.db2.gz PKGJTXRKYPZDHX-AEJSXWLSSA-N -1 0 303.311 -0.297 20 0 DBADRM COC(=O)C[C@H](NC(=O)CNC(=O)CC1CCCC1)C(=O)[O-] ZINC000737599684 600246514 /nfs/dbraw/zinc/24/65/14/600246514.db2.gz XHBCHNYUEJJFSB-JTQLQIEISA-N -1 0 314.338 -0.185 20 0 DBADRM Cn1cc(C(=O)Nc2nc(CC(=O)[O-])cs2)c(=O)n(C)c1=O ZINC000738406535 600250985 /nfs/dbraw/zinc/25/09/85/600250985.db2.gz SBVPIOXJIWLMRX-UHFFFAOYSA-N -1 0 324.318 -0.580 20 0 DBADRM Cn1cc(C(=O)NC2CCC(C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000738404527 600251251 /nfs/dbraw/zinc/25/12/51/600251251.db2.gz ZXQWSORFSNZGLH-UHFFFAOYSA-N -1 0 309.322 -0.543 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)COc1cccnc1 ZINC000739784536 600265021 /nfs/dbraw/zinc/26/50/21/600265021.db2.gz FASUIUWSRCRKNM-UHFFFAOYSA-N -1 0 323.349 -0.294 20 0 DBADRM NC(CN1CCOCC1)=NOCc1noc(CCC(=O)[O-])n1 ZINC000739185132 600284527 /nfs/dbraw/zinc/28/45/27/600284527.db2.gz ZMYOJQXOMHGFRQ-UHFFFAOYSA-N -1 0 313.314 -0.583 20 0 DBADRM NC(Cn1cccn1)=NOCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000739185091 600285223 /nfs/dbraw/zinc/28/52/23/600285223.db2.gz YJJLFZYDUIIBDB-UHFFFAOYSA-N -1 0 309.326 -0.295 20 0 DBADRM CCOC(=O)[C@@H]1CSCCN1CCC(=O)N(C)CC(=O)[O-] ZINC000737136243 600290013 /nfs/dbraw/zinc/29/00/13/600290013.db2.gz PZOVVKAPJVKKNC-JTQLQIEISA-N -1 0 318.395 -0.100 20 0 DBADRM CCOC[C@@H](O)CN1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000737161036 600293529 /nfs/dbraw/zinc/29/35/29/600293529.db2.gz CMDRRJSRDMFRAQ-LBPRGKRZSA-N -1 0 317.386 -0.424 20 0 DBADRM COC(=O)CCCc1nc(CN2CCO[C@@H](C(=O)[O-])C2)no1 ZINC000737596789 600299050 /nfs/dbraw/zinc/29/90/50/600299050.db2.gz VRDBIDUAHPHYBB-SECBINFHSA-N -1 0 313.310 -0.149 20 0 DBADRM COC(=O)[C@H]1CN(Cc2noc(CCCC(=O)[O-])n2)CCO1 ZINC000737586562 600299160 /nfs/dbraw/zinc/29/91/60/600299160.db2.gz ARKHYZKNDSPGFO-SECBINFHSA-N -1 0 313.310 -0.149 20 0 DBADRM Cc1cc(C)n(C[C@@H]2CN(CCC(=O)NCC(=O)[O-])CCO2)n1 ZINC000738369263 600302079 /nfs/dbraw/zinc/30/20/79/600302079.db2.gz NBABCVNPJGTKMS-ZDUSSCGKSA-N -1 0 324.381 -0.208 20 0 DBADRM COCc1ccccc1CNC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000737835117 600310210 /nfs/dbraw/zinc/31/02/10/600310210.db2.gz ROKMHCQZYJBESF-KGLIPLIRSA-N -1 0 322.361 -0.031 20 0 DBADRM O=C([O-])CNC(=O)CCN(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000739804267 600313356 /nfs/dbraw/zinc/31/33/56/600313356.db2.gz WGJAAEGDAZVRMJ-JTQLQIEISA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])NCc1ccc(NCC(=O)N2CCNC(=O)C2)cc1 ZINC000739992573 600316435 /nfs/dbraw/zinc/31/64/35/600316435.db2.gz POHITSPQNGOGQK-UHFFFAOYSA-N -1 0 306.322 -0.176 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)NCCSCCC(=O)[O-] ZINC000739208040 600318481 /nfs/dbraw/zinc/31/84/81/600318481.db2.gz DLDVBLJIYVHVRJ-UHFFFAOYSA-N -1 0 324.366 -0.267 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCCNC(=O)C2)c(F)c1 ZINC000740305923 600319628 /nfs/dbraw/zinc/31/96/28/600319628.db2.gz OFQLYVQNVWWALZ-UHFFFAOYSA-N -1 0 323.280 -0.189 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCN(CCC(=O)[O-])CC2)no1 ZINC000035687052 600322005 /nfs/dbraw/zinc/32/20/05/600322005.db2.gz COGBIKFDLXDAPM-UHFFFAOYSA-N -1 0 317.367 -0.095 20 0 DBADRM CS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000738152975 600332312 /nfs/dbraw/zinc/33/23/12/600332312.db2.gz DBDLSJRRNFLJSY-UHFFFAOYSA-N -1 0 314.319 -0.516 20 0 DBADRM NC(=O)c1cc(NC(=O)C(=O)NCCC(=O)[O-])ccc1Cl ZINC000738441651 600333205 /nfs/dbraw/zinc/33/32/05/600333205.db2.gz BMKVENMKLOHCSZ-UHFFFAOYSA-N -1 0 313.697 -0.032 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000738588717 600334175 /nfs/dbraw/zinc/33/41/75/600334175.db2.gz PMHLGRMOXQFOLI-UHFFFAOYSA-N -1 0 304.266 -0.808 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCCS(=O)(=O)CC1)C(=O)[O-] ZINC000736882170 600334270 /nfs/dbraw/zinc/33/42/70/600334270.db2.gz GRLKWXWSSGABDG-CMPLNLGQSA-N -1 0 320.411 -0.278 20 0 DBADRM NC(=O)COc1ccc(NC(=O)C(=O)NCCCC(=O)[O-])cc1 ZINC000739163428 600338790 /nfs/dbraw/zinc/33/87/90/600338790.db2.gz RUSZFHWANUHRPK-UHFFFAOYSA-N -1 0 323.305 -0.530 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1)C(=O)[O-] ZINC000736587313 600344459 /nfs/dbraw/zinc/34/44/59/600344459.db2.gz VNYITXZVQBPCAB-LURJTMIESA-N -1 0 311.269 -0.300 20 0 DBADRM CN1CCN(C)[C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000068803904 600347405 /nfs/dbraw/zinc/34/74/05/600347405.db2.gz SMQFNAKVVBKCDP-SECBINFHSA-N -1 0 317.367 -0.498 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000738180461 600348919 /nfs/dbraw/zinc/34/89/19/600348919.db2.gz VJXZGXRTPWEQQJ-NRFANRHFSA-N -1 0 316.310 -0.043 20 0 DBADRM O=C([O-])CCc1nc(CSCCN2C(=O)CNC2=O)no1 ZINC000739775030 600351473 /nfs/dbraw/zinc/35/14/73/600351473.db2.gz LESVXHGNGGZOSG-UHFFFAOYSA-N -1 0 314.323 -0.128 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CN1CC(=O)NC1=O ZINC000737470083 600359870 /nfs/dbraw/zinc/35/98/70/600359870.db2.gz BUMQFOQQAIOBJK-UHFFFAOYSA-N -1 0 305.290 -0.105 20 0 DBADRM O=C([O-])C[C@H]1NC(=O)N(CCCOC[C@H]2CCCO2)C1=O ZINC000739656815 600362128 /nfs/dbraw/zinc/36/21/28/600362128.db2.gz RUDLAURRCSEWSL-NXEZZACHSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CN2CC(=O)NC2=O)c2ccccc21 ZINC000740306314 600366205 /nfs/dbraw/zinc/36/62/05/600366205.db2.gz BIUYBASNHWPDJG-VIFPVBQESA-N -1 0 303.274 -0.247 20 0 DBADRM CCn1c(N)c(C(=O)CN(C)C[C@H](C)C(=O)[O-])c(=O)[nH]c1=O ZINC000737295191 600367004 /nfs/dbraw/zinc/36/70/04/600367004.db2.gz FTTTXWTYKHVHMM-ZETCQYMHSA-N -1 0 312.326 -0.614 20 0 DBADRM COc1cccc([C@@H](O)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])c1 ZINC000738092468 600367647 /nfs/dbraw/zinc/36/76/47/600367647.db2.gz POUHEVVHINWGKQ-QPUJVOFHSA-N -1 0 311.290 -0.139 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)COC(=O)[C@H]1CNC(=O)N1 ZINC000738527719 600368413 /nfs/dbraw/zinc/36/84/13/600368413.db2.gz AOJGVUVLTNYVDC-SNVBAGLBSA-N -1 0 321.289 -0.144 20 0 DBADRM Cc1cccn2cc(CC(=O)OCC(=O)NCC(=O)[O-])nc12 ZINC000738784898 600368452 /nfs/dbraw/zinc/36/84/52/600368452.db2.gz BOVRKACOIAELEY-UHFFFAOYSA-N -1 0 305.290 -0.071 20 0 DBADRM O=C(COC(=O)[C@H]1CNC(=O)N1)Nc1ccsc1C(=O)[O-] ZINC000739324563 600368574 /nfs/dbraw/zinc/36/85/74/600368574.db2.gz XZSNYBNRBCSALO-ZCFIWIBFSA-N -1 0 313.291 -0.391 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)CCSCC(=O)[O-] ZINC000739194034 600389366 /nfs/dbraw/zinc/38/93/66/600389366.db2.gz XHHOEWQGOKYIDP-QMMMGPOBSA-N -1 0 310.397 -0.526 20 0 DBADRM CC1(C)C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000110661354 600413333 /nfs/dbraw/zinc/41/33/33/600413333.db2.gz ZOWYGVVEQAAPDA-UHFFFAOYSA-N -1 0 302.308 -0.123 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)Nc2cc(C(=O)[O-])ccn2)nn1 ZINC000737349869 600433832 /nfs/dbraw/zinc/43/38/32/600433832.db2.gz MRDRKEAFJMOPQZ-UHFFFAOYSA-N -1 0 318.293 -0.288 20 0 DBADRM CN(CC(=O)NCCC(=O)[O-])CC(=O)NCc1ccccc1 ZINC000737394480 600438953 /nfs/dbraw/zinc/43/89/53/600438953.db2.gz LOXOVNZRYYPLCQ-UHFFFAOYSA-N -1 0 307.350 -0.175 20 0 DBADRM COCCN(CC(=O)[O-])Cc1nn2c(nc(C)cc2=O)s1 ZINC000049607399 600446786 /nfs/dbraw/zinc/44/67/86/600446786.db2.gz DGQQNHOIMFPGBP-UHFFFAOYSA-N -1 0 312.351 -0.008 20 0 DBADRM COc1ncc(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC000738133770 600453880 /nfs/dbraw/zinc/45/38/80/600453880.db2.gz YWBGBDCNLOJNOQ-UHFFFAOYSA-N -1 0 323.305 -0.035 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000736607028 600463444 /nfs/dbraw/zinc/46/34/44/600463444.db2.gz LOHCNYGRCBQNKL-SNVBAGLBSA-N -1 0 320.411 -0.326 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN(C)[C@@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000736878117 600467673 /nfs/dbraw/zinc/46/76/73/600467673.db2.gz LLUOIBOYHJURFM-JBLDHEPKSA-N -1 0 322.427 -0.033 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN(C)[C@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000736878120 600467919 /nfs/dbraw/zinc/46/79/19/600467919.db2.gz LLUOIBOYHJURFM-UMNHJUIQSA-N -1 0 322.427 -0.033 20 0 DBADRM C[C@H](Sc1nnc(-c2ccccn2)n1N)C(=O)NCC(=O)[O-] ZINC000736714876 600473616 /nfs/dbraw/zinc/47/36/16/600473616.db2.gz KBSQSIXGQHCGDO-ZETCQYMHSA-N -1 0 322.350 -0.265 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000037836386 600492394 /nfs/dbraw/zinc/49/23/94/600492394.db2.gz XXDQLPOHUJPCAT-SNVBAGLBSA-N -1 0 304.368 -0.076 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCC(=O)NCC(F)(F)F ZINC000393656982 600494158 /nfs/dbraw/zinc/49/41/58/600494158.db2.gz OUDMFUVBKSWEBG-UHFFFAOYSA-N -1 0 306.262 -0.551 20 0 DBADRM CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)CCCC(=O)[O-] ZINC000737349284 600497553 /nfs/dbraw/zinc/49/75/53/600497553.db2.gz YZKPDXJNTJXOJA-MRVPVSSYSA-N -1 0 310.397 -0.356 20 0 DBADRM CN1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000737514340 600509567 /nfs/dbraw/zinc/50/95/67/600509567.db2.gz GLFDWRZDWVGFSI-JTQLQIEISA-N -1 0 305.290 -0.330 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)ccc1C(=O)[O-] ZINC000738411003 600510141 /nfs/dbraw/zinc/51/01/41/600510141.db2.gz MOQJVJPQCGTBQF-LLVKDONJSA-N -1 0 319.317 -0.021 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737392994 600510652 /nfs/dbraw/zinc/51/06/52/600510652.db2.gz IEEOCSSUYKTWSH-SSDOTTSWSA-N -1 0 311.260 -0.718 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000736660566 600533004 /nfs/dbraw/zinc/53/30/04/600533004.db2.gz LGSZSAXQNUEQKC-ZCFIWIBFSA-N -1 0 307.266 -0.218 20 0 DBADRM Cc1csc(=O)n1CCC(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000738814013 600534568 /nfs/dbraw/zinc/53/45/68/600534568.db2.gz KMJYKXZNOWQHMO-UHFFFAOYSA-N -1 0 311.323 -0.008 20 0 DBADRM NC(=O)CSCC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000739161277 600536655 /nfs/dbraw/zinc/53/66/55/600536655.db2.gz ODRDEYJNJZQXMS-SECBINFHSA-N -1 0 304.368 -0.313 20 0 DBADRM C[C@H](O)CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000736676422 600549993 /nfs/dbraw/zinc/54/99/93/600549993.db2.gz MLHCPOUKXRBBKS-JOYOIKCWSA-N -1 0 322.317 -0.248 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Oc2ccc(C(=O)[O-])cc2)C1=O ZINC000737509635 600551476 /nfs/dbraw/zinc/55/14/76/600551476.db2.gz SQEDMYDFSMNXIS-UHFFFAOYSA-N -1 0 306.230 -0.289 20 0 DBADRM CCN1CCN(CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(=O)C1=O ZINC000737115921 600552858 /nfs/dbraw/zinc/55/28/58/600552858.db2.gz QZFFJQSFHDOWKF-SNVBAGLBSA-N -1 0 313.354 -0.707 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2sccc2C(=O)[O-])C1=O ZINC000737507529 600554062 /nfs/dbraw/zinc/55/40/62/600554062.db2.gz LFQDYHZGJILFID-UHFFFAOYSA-N -1 0 311.275 -0.195 20 0 DBADRM C[C@H](CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)C1CC1)C(=O)[O-] ZINC000736562568 600554880 /nfs/dbraw/zinc/55/48/80/600554880.db2.gz PSDZKBNXSJBNAP-SSDOTTSWSA-N -1 0 311.294 -0.881 20 0 DBADRM COc1ccccc1NCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000738138413 600570322 /nfs/dbraw/zinc/57/03/22/600570322.db2.gz WUJMRUUGVCROMM-NSHDSACASA-N -1 0 321.333 -0.091 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)CNC(=O)c2ccccc2)n[nH]1 ZINC000739901463 600579480 /nfs/dbraw/zinc/57/94/80/600579480.db2.gz QYVAOTQIHTWMTA-UHFFFAOYSA-N -1 0 303.278 -0.200 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CNC(=O)C1)Cc1ccc(O)cc1 ZINC000740304667 600584251 /nfs/dbraw/zinc/58/42/51/600584251.db2.gz XENGUQOCXHUKSM-GHMZBOCLSA-N -1 0 306.318 -0.112 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc(-n2cccn2)ccn1 ZINC000737611472 600586613 /nfs/dbraw/zinc/58/66/13/600586613.db2.gz RDAYXTFXJHTNPO-UHFFFAOYSA-N -1 0 318.289 -0.033 20 0 DBADRM C[C@H](CC(=O)[O-])SCC(=O)N(C)CC(=O)N1CCOCC1 ZINC000736550473 600592635 /nfs/dbraw/zinc/59/26/35/600592635.db2.gz FJMFNNRMPPXGDJ-SNVBAGLBSA-N -1 0 318.395 -0.100 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000736148196 600593381 /nfs/dbraw/zinc/59/33/81/600593381.db2.gz HINABWYPGQVHPG-MWLCHTKSSA-N -1 0 313.354 -0.707 20 0 DBADRM C[C@H](CSCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000736613294 600604223 /nfs/dbraw/zinc/60/42/23/600604223.db2.gz KQHYDTYPIXJGIJ-ZCFIWIBFSA-N -1 0 315.351 -0.697 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)C(=O)[O-] ZINC000262402957 600607870 /nfs/dbraw/zinc/60/78/70/600607870.db2.gz BEYAJLFTSFPTEP-PTOFAABTSA-N -1 0 308.338 -0.081 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)CCN1C(=O)CCC1=O ZINC000737783056 600623039 /nfs/dbraw/zinc/62/30/39/600623039.db2.gz AJXNVDXVVUABRK-UHFFFAOYSA-N -1 0 300.311 -0.525 20 0 DBADRM O=C([O-])CNC(=O)CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000739808755 600624272 /nfs/dbraw/zinc/62/42/72/600624272.db2.gz IRIMETUYOUOSNH-UHFFFAOYSA-N -1 0 307.232 -0.687 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736389653 600628740 /nfs/dbraw/zinc/62/87/40/600628740.db2.gz KILHJVUBCBINAJ-SNVBAGLBSA-N -1 0 306.384 -0.117 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)CCC(=O)N1CCOCC1 ZINC000737787080 600633468 /nfs/dbraw/zinc/63/34/68/600633468.db2.gz UGUAGCQDGYPLJQ-UHFFFAOYSA-N -1 0 316.354 -0.425 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000739198538 600648344 /nfs/dbraw/zinc/64/83/44/600648344.db2.gz ZGZLAFDTUWDAOU-BDAKNGLRSA-N -1 0 316.310 -0.190 20 0 DBADRM COc1cc(CN(CC(=O)[O-])C(=O)CC(N)=O)cc(OC)c1 ZINC000737880738 600682548 /nfs/dbraw/zinc/68/25/48/600682548.db2.gz HZZIDELWRHHMLY-UHFFFAOYSA-N -1 0 310.306 -0.008 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCCN2CCOCC2)c[nH]1 ZINC000037393576 600686062 /nfs/dbraw/zinc/68/60/62/600686062.db2.gz YLJXUBMEVVQRPQ-UHFFFAOYSA-N -1 0 317.367 -0.287 20 0 DBADRM Cc1c(C(=O)OCC(=O)N[C@H](CC(C)C)C(=O)[O-])nnn1C ZINC000832853704 600689231 /nfs/dbraw/zinc/68/92/31/600689231.db2.gz LVMROWGXLLAJII-SECBINFHSA-N -1 0 312.326 -0.104 20 0 DBADRM NC(=O)[C@H]1CCCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037507506 600690822 /nfs/dbraw/zinc/69/08/22/600690822.db2.gz MVXUNSZNYKPOPM-SECBINFHSA-N -1 0 301.324 -0.259 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCc2nnc3n2CCC3)c[nH]1 ZINC000833303839 600699334 /nfs/dbraw/zinc/69/93/34/600699334.db2.gz DTSUQGDYGTWLDR-UHFFFAOYSA-N -1 0 311.323 -0.271 20 0 DBADRM COC(=O)[C@H]1CCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000035651853 600699806 /nfs/dbraw/zinc/69/98/06/600699806.db2.gz HEYKFUGZHNIZHJ-SECBINFHSA-N -1 0 317.323 -0.706 20 0 DBADRM COC[C@@](C)(O)C(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000831637753 600702246 /nfs/dbraw/zinc/70/22/46/600702246.db2.gz LIMNBXZMDSBVBV-LKFCYVNXSA-N -1 0 317.338 -0.361 20 0 DBADRM C[C@H](Cn1cccn1)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000037000283 600707610 /nfs/dbraw/zinc/70/76/10/600707610.db2.gz DXCCUTIATDANTJ-SECBINFHSA-N -1 0 313.339 -0.469 20 0 DBADRM Cc1cc(C(=O)OCC(=O)NCC(=O)[O-])ccc1-n1cncn1 ZINC000820963800 600707994 /nfs/dbraw/zinc/70/79/94/600707994.db2.gz USWMMNJOPZYZMA-UHFFFAOYSA-N -1 0 318.289 -0.067 20 0 DBADRM NC(=O)CCNS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000036747167 600710431 /nfs/dbraw/zinc/71/04/31/600710431.db2.gz WSHOMTBWQZCPKU-UHFFFAOYSA-N -1 0 316.335 -0.306 20 0 DBADRM COC(=O)CCN(Cn1cnc(C(=O)[O-])n1)C1CCOCC1 ZINC000831154894 600719526 /nfs/dbraw/zinc/71/95/26/600719526.db2.gz BLOBNLDMPLMTHU-UHFFFAOYSA-N -1 0 312.326 -0.022 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000113250530 600725567 /nfs/dbraw/zinc/72/55/67/600725567.db2.gz HSRRWEQAAOPFPE-UHFFFAOYSA-N -1 0 313.378 -0.231 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCNc2ncccn2)c[nH]1 ZINC000833304117 600725639 /nfs/dbraw/zinc/72/56/39/600725639.db2.gz BAZYWNFDIAVBKO-UHFFFAOYSA-N -1 0 311.323 -0.107 20 0 DBADRM CCC(CC)(NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(N)=O ZINC000828854789 600730568 /nfs/dbraw/zinc/73/05/68/600730568.db2.gz UKMNYYCUNZIGPO-UHFFFAOYSA-N -1 0 318.355 -0.710 20 0 DBADRM CC[C@](C)(NS(=O)(=O)c1cnn(CC(=O)OC)c1)C(=O)[O-] ZINC000828700191 600730583 /nfs/dbraw/zinc/73/05/83/600730583.db2.gz IHLBHKHDYCAVBA-NSHDSACASA-N -1 0 319.339 -0.412 20 0 DBADRM CC[C@@H](C(=O)O[C@H](C)C(=O)NCC(=O)[O-])N1CCCC1=O ZINC000828603334 600736578 /nfs/dbraw/zinc/73/65/78/600736578.db2.gz IGZAZMBNVGYHKR-BDAKNGLRSA-N -1 0 300.311 -0.480 20 0 DBADRM CC(C)N(CCC(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000063142550 600747173 /nfs/dbraw/zinc/74/71/73/600747173.db2.gz HTBGXDIUIAXQRS-UHFFFAOYSA-N -1 0 301.386 -0.454 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(C)C ZINC000086696256 600763486 /nfs/dbraw/zinc/76/34/86/600763486.db2.gz OAJFFIZZIRWFBP-JTQLQIEISA-N -1 0 305.356 -0.083 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=S)NCCCC(=O)[O-])CCO1 ZINC000737135917 600765247 /nfs/dbraw/zinc/76/52/47/600765247.db2.gz NGMRBKVKDHIMGD-SECBINFHSA-N -1 0 304.368 -0.010 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)[C@H]1CCOC1 ZINC000166011512 600769946 /nfs/dbraw/zinc/76/99/46/600769946.db2.gz DKAJNFAQACVZBA-IUCAKERBSA-N -1 0 303.340 -0.329 20 0 DBADRM O=C([O-])CSCCNC(=O)NCc1nnnn1C1CC1 ZINC000833260946 600770538 /nfs/dbraw/zinc/77/05/38/600770538.db2.gz BIDYYOLEWHKXMA-UHFFFAOYSA-N -1 0 300.344 -0.375 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)NCCSCC(=O)[O-])cn1 ZINC000833042986 600770619 /nfs/dbraw/zinc/77/06/19/600770619.db2.gz WXYHAYLRCPCXKJ-SECBINFHSA-N -1 0 302.356 -0.430 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCOC2CCC2)cn1 ZINC000690691116 600789657 /nfs/dbraw/zinc/78/96/57/600789657.db2.gz BXLDCCQKMVJWOH-UHFFFAOYSA-N -1 0 303.340 -0.185 20 0 DBADRM CCOC(=O)[C@@H]1CN(S(=O)(=O)CCCC(=O)[O-])CCO1 ZINC000737135460 600798708 /nfs/dbraw/zinc/79/87/08/600798708.db2.gz KJPSARZYVLQOJY-VIFPVBQESA-N -1 0 309.340 -0.555 20 0 DBADRM CCOC(=O)[C@H]1CN(S(=O)(=O)CCCC(=O)[O-])CCO1 ZINC000737135459 600798789 /nfs/dbraw/zinc/79/87/89/600798789.db2.gz KJPSARZYVLQOJY-SECBINFHSA-N -1 0 309.340 -0.555 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cnn(-c3ncccn3)c2)CCO1 ZINC000819319749 600845120 /nfs/dbraw/zinc/84/51/20/600845120.db2.gz OIUIOOFXEOUPDV-JTQLQIEISA-N -1 0 318.293 -0.020 20 0 DBADRM COC(=O)CCNC(=O)CN(CC(=O)[O-])C1CCOCC1 ZINC000831160487 600855489 /nfs/dbraw/zinc/85/54/89/600855489.db2.gz XVIPSTUHTAAEQG-UHFFFAOYSA-N -1 0 302.327 -0.769 20 0 DBADRM NC(=O)Cn1cc(C(=O)Nc2cccc(OCC(=O)[O-])c2)nn1 ZINC000833082998 600860397 /nfs/dbraw/zinc/86/03/97/600860397.db2.gz LJTLRCXWVGOTGU-UHFFFAOYSA-N -1 0 319.277 -0.521 20 0 DBADRM COCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000831743692 600863181 /nfs/dbraw/zinc/86/31/81/600863181.db2.gz CEZJABJFHOKRSJ-UHFFFAOYSA-N -1 0 324.289 -0.128 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCc2cscn2)cn1 ZINC000111627717 600865053 /nfs/dbraw/zinc/86/50/53/600865053.db2.gz RTJHNWJKMQNKNF-UHFFFAOYSA-N -1 0 316.364 -0.055 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000830991733 600865688 /nfs/dbraw/zinc/86/56/88/600865688.db2.gz NBEYWXDVNMKIEU-UHFFFAOYSA-N -1 0 321.333 -0.151 20 0 DBADRM Cc1sc(NC(=O)C(=O)N(C)CC(N)=O)c(C(=O)[O-])c1C ZINC000833033385 600877662 /nfs/dbraw/zinc/87/76/62/600877662.db2.gz FKIBZASVVJGSAT-UHFFFAOYSA-N -1 0 313.335 -0.055 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)NC[C@H]1COCCO1 ZINC000833140543 600878780 /nfs/dbraw/zinc/87/87/80/600878780.db2.gz RKORXNMNCCSSCX-ZETCQYMHSA-N -1 0 314.319 -0.084 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)N1CCCNC(=O)C1 ZINC000833358238 600886727 /nfs/dbraw/zinc/88/67/27/600886727.db2.gz HNJCQQRCBVWYJV-UHFFFAOYSA-N -1 0 311.319 -0.267 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCSC[C@@H]2CC(=O)[O-])S1 ZINC000833089570 600892328 /nfs/dbraw/zinc/89/23/28/600892328.db2.gz RSXXUMXBGAJGEY-BQBZGAKWSA-N -1 0 317.392 -0.038 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccn2)CC1=O ZINC000831741039 600905843 /nfs/dbraw/zinc/90/58/43/600905843.db2.gz KGIOHDAGELMQNG-ZWNOBZJWSA-N -1 0 321.333 -0.182 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000833181274 600938250 /nfs/dbraw/zinc/93/82/50/600938250.db2.gz LZFPIQKULGDDLQ-HRDYMLBCSA-N -1 0 313.335 -0.098 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCCCN2C(=O)CNC2=O)C1 ZINC000833182710 600940913 /nfs/dbraw/zinc/94/09/13/600940913.db2.gz FDRMDWODHGJVBF-NXEZZACHSA-N -1 0 311.338 -0.065 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)NCCSCCC(=O)[O-] ZINC000828041590 600951800 /nfs/dbraw/zinc/95/18/00/600951800.db2.gz CZFAQTKZHMHGSH-UHFFFAOYSA-N -1 0 317.367 -0.359 20 0 DBADRM CN1CCO[C@@H](C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)C1 ZINC000830960635 600954960 /nfs/dbraw/zinc/95/49/60/600954960.db2.gz VJUWDRKSIOVTBA-NWDGAFQWSA-N -1 0 300.355 -0.201 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000827767751 600954998 /nfs/dbraw/zinc/95/49/98/600954998.db2.gz JUOCQTDIQRAAAC-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM CN1CCO[C@@H](C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)C1 ZINC000830960637 600955106 /nfs/dbraw/zinc/95/51/06/600955106.db2.gz VJUWDRKSIOVTBA-VXGBXAGGSA-N -1 0 300.355 -0.201 20 0 DBADRM COC[C@H]1CN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])CCO1 ZINC000737752804 600969306 /nfs/dbraw/zinc/96/93/06/600969306.db2.gz ZZXSCRLYSSXEJX-NEPJUHHUSA-N -1 0 302.371 -0.051 20 0 DBADRM COC[C@H]1CN(CC(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC000737752125 600969458 /nfs/dbraw/zinc/96/94/58/600969458.db2.gz SBNBIULQIXVXRR-GFCCVEGCSA-N -1 0 300.355 -0.343 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC000828042020 600974417 /nfs/dbraw/zinc/97/44/17/600974417.db2.gz LHHASYFKLYDSRS-SNVBAGLBSA-N -1 0 320.305 -0.346 20 0 DBADRM COC(=O)CCCS(=O)(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000831151821 600990868 /nfs/dbraw/zinc/99/08/68/600990868.db2.gz DAVSMIJPNXRCCE-UHFFFAOYSA-N -1 0 323.367 -0.165 20 0 DBADRM COC(=O)CN(C1CCOCC1)S(=O)(=O)CCCC(=O)[O-] ZINC000831163744 600991105 /nfs/dbraw/zinc/99/11/05/600991105.db2.gz DTSCIHKQYCEHNW-UHFFFAOYSA-N -1 0 323.367 -0.165 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000125410735 600992785 /nfs/dbraw/zinc/99/27/85/600992785.db2.gz RGLVHMUARBLKMZ-UHFFFAOYSA-N -1 0 308.356 -0.523 20 0 DBADRM CC(=O)N1CCN(C(=O)CCNc2cncc(C(=O)[O-])n2)CC1 ZINC000825840028 601000221 /nfs/dbraw/zinc/00/02/21/601000221.db2.gz IPIDUSBADWMHIL-UHFFFAOYSA-N -1 0 321.337 -0.333 20 0 DBADRM COc1ccc([C@H](NCc2nc(N)nc(N)n2)C(=O)[O-])cc1 ZINC000832252042 601005145 /nfs/dbraw/zinc/00/51/45/601005145.db2.gz GFGKNBRBQUATIF-JTQLQIEISA-N -1 0 304.310 -0.040 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)CCCN(C)C(=O)[O-])n1 ZINC000737349475 601030466 /nfs/dbraw/zinc/03/04/66/601030466.db2.gz DGSHZDVDSGKQLG-UHFFFAOYSA-N -1 0 312.330 -0.305 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCNC(=O)[C@@H]1c1cccs1 ZINC000833250526 601035858 /nfs/dbraw/zinc/03/58/58/601035858.db2.gz JODMTOSSFSTSPD-LBPRGKRZSA-N -1 0 311.363 -0.188 20 0 DBADRM NS(=O)(=O)CCN1CCN(Cc2occc2C(=O)[O-])CC1 ZINC000833089101 601044294 /nfs/dbraw/zinc/04/42/94/601044294.db2.gz YADCSRAIYUBAQG-UHFFFAOYSA-N -1 0 317.367 -0.616 20 0 DBADRM C/C(=C\CN(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000825730387 601049646 /nfs/dbraw/zinc/04/96/46/601049646.db2.gz WAHXXSHSQXPCSV-OTVCUZDGSA-N -1 0 304.368 -0.748 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000322414255 601055503 /nfs/dbraw/zinc/05/55/03/601055503.db2.gz WXTNUYZWABFYHU-NSHDSACASA-N -1 0 321.289 -0.061 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)n1 ZINC000833274959 601065445 /nfs/dbraw/zinc/06/54/45/601065445.db2.gz DUTYJBCGKLXJHN-LLVKDONJSA-N -1 0 323.353 -0.094 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC000831115193 601067981 /nfs/dbraw/zinc/06/79/81/601067981.db2.gz UOGAKJRZFSWRQK-QMMMGPOBSA-N -1 0 312.282 -0.627 20 0 DBADRM C[C@@H](OC(=O)[C@]12CCC(=O)N1CCS2)C(=O)NCC(=O)[O-] ZINC000827816539 601074464 /nfs/dbraw/zinc/07/44/64/601074464.db2.gz ADMOFTKRBYJCJF-JMCQJSRRSA-N -1 0 316.335 -0.816 20 0 DBADRM CS(=O)(=O)NCCC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000738138742 601078150 /nfs/dbraw/zinc/07/81/50/601078150.db2.gz GRBFKQCKDAPDGY-LLVKDONJSA-N -1 0 314.363 -0.090 20 0 DBADRM O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000738457131 601080801 /nfs/dbraw/zinc/08/08/01/601080801.db2.gz LKYBHPQZVOENME-QWRGUYRKSA-N -1 0 319.317 -0.041 20 0 DBADRM CC(C)c1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])nn1C ZINC000827102153 601081501 /nfs/dbraw/zinc/08/15/01/601081501.db2.gz RSUPCAPZXIQMCI-NSHDSACASA-N -1 0 308.338 -0.041 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C(C)(C)S(C)(=O)=O)CC1 ZINC000827356888 601092435 /nfs/dbraw/zinc/09/24/35/601092435.db2.gz UONPMNSOLCRLAZ-JTQLQIEISA-N -1 0 320.411 -0.183 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC000738179520 601093517 /nfs/dbraw/zinc/09/35/17/601093517.db2.gz JSVPXPVXONXKNS-HXUWFJFHSA-N -1 0 322.452 -0.283 20 0 DBADRM C[C@H](OC(=O)C[C@@](C)(O)C(F)(F)F)C(=O)NCC(=O)[O-] ZINC000827824946 601097715 /nfs/dbraw/zinc/09/77/15/601097715.db2.gz BQEANLWRGPAMEC-SSDLBLMSSA-N -1 0 301.217 -0.178 20 0 DBADRM C[C@](O)(CC(=O)OCC(=O)NCCC(=O)[O-])C(F)(F)F ZINC000827773544 601097777 /nfs/dbraw/zinc/09/77/77/601097777.db2.gz PNOCPXXGVLVJTE-VIFPVBQESA-N -1 0 301.217 -0.176 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CCCN1c1ncccn1)C(=O)NCC(=O)[O-] ZINC000827827921 601097790 /nfs/dbraw/zinc/09/77/90/601097790.db2.gz STIYXCHAITYEEV-NXEZZACHSA-N -1 0 322.321 -0.422 20 0 DBADRM NS(=O)(=O)CCCOC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000833088046 601115366 /nfs/dbraw/zinc/11/53/66/601115366.db2.gz KLWBYPRYVHJKNI-UHFFFAOYSA-N -1 0 317.319 -0.015 20 0 DBADRM CC(C)OCCN1CCN([C@H](C)C(=O)NCC(=O)[O-])CC1 ZINC000827030786 601115520 /nfs/dbraw/zinc/11/55/20/601115520.db2.gz MPUGMZASWNNBPW-GFCCVEGCSA-N -1 0 301.387 -0.382 20 0 DBADRM NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n[nH]1 ZINC000739176749 601118161 /nfs/dbraw/zinc/11/81/61/601118161.db2.gz GOHFXGOIKCKAOF-VGMNWLOBSA-N -1 0 306.322 -0.065 20 0 DBADRM NC(=O)c1cc([C@H]2CCCN(CC(=O)NCCC(=O)[O-])C2)n[nH]1 ZINC000739177480 601119437 /nfs/dbraw/zinc/11/94/37/601119437.db2.gz NNSVEGCXHQCNDZ-VIFPVBQESA-N -1 0 323.353 -0.721 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)c1nonc1N)C(=O)[O-] ZINC000826794172 601121574 /nfs/dbraw/zinc/12/15/74/601121574.db2.gz VULOXMKJRLQBFL-LURJTMIESA-N -1 0 300.271 -0.576 20 0 DBADRM CCn1c(N)c(C(=O)CN2CCC(C(=O)[O-])CC2)c(=O)[nH]c1=O ZINC000739561546 601123228 /nfs/dbraw/zinc/12/32/28/601123228.db2.gz ASNCHWIOUDGUCA-UHFFFAOYSA-N -1 0 324.337 -0.470 20 0 DBADRM O=C([O-])c1cccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC000821554018 601133023 /nfs/dbraw/zinc/13/30/23/601133023.db2.gz DGSXVMCGLKVAHZ-GFCCVEGCSA-N -1 0 303.318 -0.473 20 0 DBADRM O=C([O-])CSCCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000833262836 601139673 /nfs/dbraw/zinc/13/96/73/601139673.db2.gz WUABLLHIQCLSKX-QMMMGPOBSA-N -1 0 301.368 -0.133 20 0 DBADRM CNC(=O)C=C(N)NOCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000830984171 601149094 /nfs/dbraw/zinc/14/90/94/601149094.db2.gz ISILOIPHTLIDSN-UHFFFAOYSA-N -1 0 308.294 -0.042 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCC(NC(N)=O)CC1)C(=O)[O-] ZINC000828718132 601154089 /nfs/dbraw/zinc/15/40/89/601154089.db2.gz LNBAFHLVHWKXJV-JOYOIKCWSA-N -1 0 314.386 -0.265 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCC(NC(N)=O)CC1)C(=O)[O-] ZINC000828718130 601154288 /nfs/dbraw/zinc/15/42/88/601154288.db2.gz LNBAFHLVHWKXJV-BXKDBHETSA-N -1 0 314.386 -0.265 20 0 DBADRM Cn1cc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000833046549 601159340 /nfs/dbraw/zinc/15/93/40/601159340.db2.gz YGQHEIKIVWAKIC-RKDXNWHRSA-N -1 0 309.322 -0.087 20 0 DBADRM COC(=O)CN(C/C=C(/C)C(=O)[O-])CCN1CCOCC1 ZINC000831175416 601165930 /nfs/dbraw/zinc/16/59/30/601165930.db2.gz NIMSEQSIARALIX-BASWHVEKSA-N -1 0 300.355 -0.176 20 0 DBADRM Cc1nsc(N2CCN(CC(=O)NCCC(=O)[O-])CC2)n1 ZINC000833024003 601179567 /nfs/dbraw/zinc/17/95/67/601179567.db2.gz NXPWYVACCQTMDE-UHFFFAOYSA-N -1 0 313.383 -0.441 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCC(=O)N2CCNC(=O)C2)C1 ZINC000833359115 601179922 /nfs/dbraw/zinc/17/99/22/601179922.db2.gz ULBKRMLMPCMTLD-NXEZZACHSA-N -1 0 312.322 -0.621 20 0 DBADRM COCCNC(=O)CNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000831753446 601188956 /nfs/dbraw/zinc/18/89/56/601188956.db2.gz SOBBSBRRXVFWAU-UHFFFAOYSA-N -1 0 316.335 -0.574 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000831180469 601191345 /nfs/dbraw/zinc/19/13/45/601191345.db2.gz UKYOKHRZKQQOTP-BDAKNGLRSA-N -1 0 301.295 -0.290 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCC(=O)NCc2ccco2)nn1 ZINC000833108439 601197651 /nfs/dbraw/zinc/19/76/51/601197651.db2.gz JGGAIJWVTGSQNW-UHFFFAOYSA-N -1 0 307.266 -0.998 20 0 DBADRM O=C([O-])/C=C/c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000020547052 601206036 /nfs/dbraw/zinc/20/60/36/601206036.db2.gz QKUMVCDMOJDCKY-ZZXKWVIFSA-N -1 0 310.331 -0.095 20 0 DBADRM Cc1cc(C)n(-c2nnc(SC[C@H](O)CC(=O)[O-])n2N)n1 ZINC000832880230 601207423 /nfs/dbraw/zinc/20/74/23/601207423.db2.gz PRFVQKRSOUFYTL-MRVPVSSYSA-N -1 0 312.355 -0.278 20 0 DBADRM NC(=O)c1ccc(C(F)(F)F)n(C[C@H](O)CC(=O)[O-])c1=O ZINC000833084448 601208421 /nfs/dbraw/zinc/20/84/21/601208421.db2.gz NXBZIRFUHIXWQN-RXMQYKEDSA-N -1 0 308.212 -0.198 20 0 DBADRM CCNC(=O)CNS(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000829790287 601211133 /nfs/dbraw/zinc/21/11/33/601211133.db2.gz OQVWXEAGMJTKTR-UHFFFAOYSA-N -1 0 322.364 -0.131 20 0 DBADRM Cc1oc(S(=O)(=O)N2CCNC(=O)[C@@H]2C)cc1C(=O)[O-] ZINC000833028537 601220897 /nfs/dbraw/zinc/22/08/97/601220897.db2.gz SSOCACYXUGXKGC-LURJTMIESA-N -1 0 302.308 -0.205 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000044352823 601222268 /nfs/dbraw/zinc/22/22/68/601222268.db2.gz FOXRPBIZLZDNLN-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM CCn1cnc(S(=O)(=O)N(CC(=O)[O-])CC(=O)OC)c1 ZINC000830429801 601235016 /nfs/dbraw/zinc/23/50/16/601235016.db2.gz QRZRNYRXFQTMLI-UHFFFAOYSA-N -1 0 305.312 -0.849 20 0 DBADRM CNC(=O)[C@@H]1CCCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000088769496 601254158 /nfs/dbraw/zinc/25/41/58/601254158.db2.gz ZEKSKAUQYOPOLK-VIFPVBQESA-N -1 0 307.372 -0.762 20 0 DBADRM COC(=O)N1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000088770092 601255502 /nfs/dbraw/zinc/25/55/02/601255502.db2.gz XGZRZDNGZYURTR-UHFFFAOYSA-N -1 0 309.344 -0.978 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCC(=O)N1CCCCC1 ZINC000123710279 601255592 /nfs/dbraw/zinc/25/55/92/601255592.db2.gz SRNZCPQHZYYXCV-UHFFFAOYSA-N -1 0 321.399 -0.370 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1nc(C2CC2)no1 ZINC000829064723 601257081 /nfs/dbraw/zinc/25/70/81/601257081.db2.gz ITHQPJIWOGCSOO-UHFFFAOYSA-N -1 0 304.328 -0.312 20 0 DBADRM CCCOC(=O)CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000829522758 601257467 /nfs/dbraw/zinc/25/74/67/601257467.db2.gz HWJQKEMSLDFAIK-UHFFFAOYSA-N -1 0 319.339 -0.411 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000827385488 601258124 /nfs/dbraw/zinc/25/81/24/601258124.db2.gz LNXLFPJQAOAGEE-NSHDSACASA-N -1 0 321.399 -0.956 20 0 DBADRM COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000831059057 601258643 /nfs/dbraw/zinc/25/86/43/601258643.db2.gz DGNFOUQJVNXHKI-SECBINFHSA-N -1 0 322.383 -0.089 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2cn(C)cn2)CC1 ZINC000827386955 601259276 /nfs/dbraw/zinc/25/92/76/601259276.db2.gz ZSNGZAKKQVNQJZ-JTQLQIEISA-N -1 0 316.383 -0.410 20 0 DBADRM C[C@H]([C@H](C)NS(=O)(=O)N(C)CCC(=O)[O-])N1CCOCC1 ZINC000827747347 601259976 /nfs/dbraw/zinc/25/99/76/601259976.db2.gz MCUJNABZCRDNBV-WDEREUQCSA-N -1 0 323.415 -0.664 20 0 DBADRM CCOCCN1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000830011798 601260694 /nfs/dbraw/zinc/26/06/94/601260694.db2.gz OEZFJWKDNIKINH-UHFFFAOYSA-N -1 0 323.415 -0.708 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000831643311 601260705 /nfs/dbraw/zinc/26/07/05/601260705.db2.gz FYGAYAXJJBQHSU-WDEREUQCSA-N -1 0 308.400 -0.168 20 0 DBADRM CCc1nnc2n1CCN(S(=O)(=O)N(C)CCC(=O)[O-])C2 ZINC000830339306 601260771 /nfs/dbraw/zinc/26/07/71/601260771.db2.gz RVVGRBSTIKSFJN-UHFFFAOYSA-N -1 0 317.371 -0.693 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC[S@@](=O)C(C)(C)C ZINC000829359041 601262220 /nfs/dbraw/zinc/26/22/20/601262220.db2.gz UQEFLEZJUTUPCY-GOSISDBHSA-N -1 0 314.429 -0.226 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCOc1cccnc1 ZINC000830747365 601262325 /nfs/dbraw/zinc/26/23/25/601262325.db2.gz FPILSNMEBSNCOL-UHFFFAOYSA-N -1 0 303.340 -0.299 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@H]1Cn1cccn1 ZINC000830734322 601262709 /nfs/dbraw/zinc/26/27/09/601262709.db2.gz CHZKWTXEFOPJIK-NSHDSACASA-N -1 0 316.383 -0.001 20 0 DBADRM C[C@@H](CNS(=O)(=O)N(C)CCC(=O)[O-])CN1CCOCC1 ZINC000827502065 601262864 /nfs/dbraw/zinc/26/28/64/601262864.db2.gz IIAKLCQDBAHWCO-NSHDSACASA-N -1 0 323.415 -0.804 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000830735692 601264733 /nfs/dbraw/zinc/26/47/33/601264733.db2.gz XSRVPNVCHPOSQD-VIFPVBQESA-N -1 0 307.372 -0.775 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000169117963 601271087 /nfs/dbraw/zinc/27/10/87/601271087.db2.gz GSFRBHCTVKZKBB-UHFFFAOYSA-N -1 0 313.335 -0.503 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCc2nnc3n2CCCCC3)nn1 ZINC000833120757 601274375 /nfs/dbraw/zinc/27/43/75/601274375.db2.gz CTLTWVPZFRETBE-UHFFFAOYSA-N -1 0 319.325 -0.389 20 0 DBADRM Cn1ncc2cc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])cnc21 ZINC000833061237 601275356 /nfs/dbraw/zinc/27/53/56/601275356.db2.gz QPLHQAKPJHHGAZ-SNVBAGLBSA-N -1 0 317.305 -0.616 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCC(CC(=O)[O-])CC2)nn1 ZINC000831461892 601278188 /nfs/dbraw/zinc/27/81/88/601278188.db2.gz HUSZOOYGIVAVKH-UHFFFAOYSA-N -1 0 310.310 -0.222 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833078138 601279231 /nfs/dbraw/zinc/27/92/31/601279231.db2.gz ISDWDCYLSSMBAX-JTQLQIEISA-N -1 0 317.305 -0.811 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@H]2CCN(CC(F)(F)F)C2)nn1 ZINC000833121100 601279686 /nfs/dbraw/zinc/27/96/86/601279686.db2.gz BXCSEPWDLISMAA-ZETCQYMHSA-N -1 0 321.259 -0.271 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC(Oc3ccncc3)C2)nn1 ZINC000833338878 601281379 /nfs/dbraw/zinc/28/13/79/601281379.db2.gz PNANIJIOJZNMDB-UHFFFAOYSA-N -1 0 303.278 -0.339 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ncccn2)CCO1 ZINC000387019981 601281625 /nfs/dbraw/zinc/28/16/25/601281625.db2.gz KOIDPJIZRIHNNI-QWRGUYRKSA-N -1 0 306.322 -0.243 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)c1ccnc(C(=O)[O-])c1 ZINC000830130515 601281677 /nfs/dbraw/zinc/28/16/77/601281677.db2.gz HNZRIOSGELBJIT-UHFFFAOYSA-N -1 0 315.351 -0.161 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)c1cnn(C)c1N)C(=O)[O-] ZINC000826792625 601282528 /nfs/dbraw/zinc/28/25/28/601282528.db2.gz CNXZAEZDZXUIKP-VIFPVBQESA-N -1 0 312.326 -0.225 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H](n3cncn3)C2)nn1 ZINC000833340801 601282639 /nfs/dbraw/zinc/28/26/39/601282639.db2.gz WRNDXRREFLFYPF-VIFPVBQESA-N -1 0 305.298 -0.569 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000769459868 601284908 /nfs/dbraw/zinc/28/49/08/601284908.db2.gz SADCHTFIBZIHBK-SECBINFHSA-N -1 0 310.310 -0.678 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCCOC[C@@H]2CCCO2)nn1 ZINC000833121200 601285670 /nfs/dbraw/zinc/28/56/70/601285670.db2.gz YGXRFHKVCAIZPE-JTQLQIEISA-N -1 0 312.326 -0.322 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)nn1 ZINC000831461707 601286232 /nfs/dbraw/zinc/28/62/32/601286232.db2.gz CZPOYDZJSNPMPX-VIFPVBQESA-N -1 0 322.321 -0.222 20 0 DBADRM CCc1[nH]n(C)c2nnc(NC(=O)Cn3cc(C(=O)[O-])nn3)c1-2 ZINC000830329022 601286535 /nfs/dbraw/zinc/28/65/35/601286535.db2.gz ZJZIDHQABCSNME-UHFFFAOYSA-N -1 0 318.297 -0.213 20 0 DBADRM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000830542964 601286747 /nfs/dbraw/zinc/28/67/47/601286747.db2.gz RUCULRLKEXQWFT-UWVGGRQHSA-N -1 0 323.353 -0.261 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@H](CO)Cc2ccccc2)nn1 ZINC000833121416 601287820 /nfs/dbraw/zinc/28/78/20/601287820.db2.gz GROBBDSALDACPK-GFCCVEGCSA-N -1 0 318.333 -0.056 20 0 DBADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000828142993 601288062 /nfs/dbraw/zinc/28/80/62/601288062.db2.gz LJAVWZLAFVRVLD-SEJYDQARSA-N -1 0 300.340 -0.656 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)Cn2cc(C(=O)[O-])nn2)CCS1(=O)=O ZINC000828143658 601288188 /nfs/dbraw/zinc/28/81/88/601288188.db2.gz OOHJJEZTZOHZND-JGVFFNPUSA-N -1 0 316.339 -0.990 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000831545587 601299165 /nfs/dbraw/zinc/29/91/65/601299165.db2.gz ZUZSCENKUNQACS-TVQRCGJNSA-N -1 0 301.343 -0.227 20 0 DBADRM CCC(CC)(CC(=O)[O-])NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000828779937 601307914 /nfs/dbraw/zinc/30/79/14/601307914.db2.gz KGOSZLMMSNFNEQ-UHFFFAOYSA-N -1 0 313.310 -0.443 20 0 DBADRM CNS(=O)(=O)CC(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC000831025830 601308414 /nfs/dbraw/zinc/30/84/14/601308414.db2.gz ZAYVCFXTTOXIFR-UHFFFAOYSA-N -1 0 302.308 -0.119 20 0 DBADRM Cn1cc(NC(=O)CCCN2C(=O)CNC2=O)cc1C(=O)[O-] ZINC000833046054 601316581 /nfs/dbraw/zinc/31/65/81/601316581.db2.gz WNLMFXMRIMITQZ-UHFFFAOYSA-N -1 0 308.294 -0.006 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)nn1 ZINC000830556638 601318282 /nfs/dbraw/zinc/31/82/82/601318282.db2.gz HBRVLLWWQIVTPZ-UHFFFAOYSA-N -1 0 320.309 -0.345 20 0 DBADRM Cn1cc(NC(=O)C(C)(C)NS(C)(=O)=O)cc1C(=O)[O-] ZINC000833046010 601324095 /nfs/dbraw/zinc/32/40/95/601324095.db2.gz PUJMKSWAKUDXBR-UHFFFAOYSA-N -1 0 303.340 -0.010 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CCSCC(=O)[O-] ZINC000831024358 601331329 /nfs/dbraw/zinc/33/13/29/601331329.db2.gz GQMYGYMCYGIHCQ-VIFPVBQESA-N -1 0 324.424 -0.266 20 0 DBADRM Cn1ncc2cc(C(=O)OCC(=O)NCCC(=O)[O-])cnc21 ZINC000833062107 601341378 /nfs/dbraw/zinc/34/13/78/601341378.db2.gz YHZIHLGCYRJYDY-UHFFFAOYSA-N -1 0 306.278 -0.284 20 0 DBADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)NC(CO)CO)cc1 ZINC000826105310 601346622 /nfs/dbraw/zinc/34/66/22/601346622.db2.gz AEUXBTVKSNVQHZ-UHFFFAOYSA-N -1 0 324.333 -0.543 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)NC(CO)CO)c(F)cc1F ZINC000833152111 601346973 /nfs/dbraw/zinc/34/69/73/601346973.db2.gz TWWIPUVKYGYQSA-UHFFFAOYSA-N -1 0 318.232 -0.929 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)CC1=O ZINC000830913071 601350119 /nfs/dbraw/zinc/35/01/19/601350119.db2.gz KECMXGMFXAJMAG-QMMMGPOBSA-N -1 0 323.280 -0.191 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)cc1C(=O)[O-] ZINC000832938796 601350508 /nfs/dbraw/zinc/35/05/08/601350508.db2.gz AKPWQPGITZSGJG-JTQLQIEISA-N -1 0 319.317 -0.021 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)Nc2sccc2C(=O)[O-])CC1=O ZINC000830912810 601350882 /nfs/dbraw/zinc/35/08/82/601350882.db2.gz ANWOSVTZRLFDRG-LURJTMIESA-N -1 0 311.319 -0.268 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)NC[C@@H](O)C2CC2)c1 ZINC000833261917 601353771 /nfs/dbraw/zinc/35/37/71/601353771.db2.gz RXGJBWSJWNKRTM-GFCCVEGCSA-N -1 0 322.317 -0.024 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000821529420 601360073 /nfs/dbraw/zinc/36/00/73/601360073.db2.gz HYZVJMUYTIKPCX-LBPRGKRZSA-N -1 0 300.355 -0.153 20 0 DBADRM Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000819008737 601360876 /nfs/dbraw/zinc/36/08/76/601360876.db2.gz AETBNWLQWXGMNT-VHSXEESVSA-N -1 0 309.326 -0.084 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)NCCCCC(=O)[O-] ZINC000830706688 601361608 /nfs/dbraw/zinc/36/16/08/601361608.db2.gz QLNZIGRGBFLOEZ-LBPRGKRZSA-N -1 0 317.386 -0.424 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CC1=O ZINC000830946378 601363212 /nfs/dbraw/zinc/36/32/12/601363212.db2.gz KXWXNGFNQCRLMG-UHFFFAOYSA-N -1 0 305.290 -0.376 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])CC1=O ZINC000830946611 601363320 /nfs/dbraw/zinc/36/33/20/601363320.db2.gz RLCAJMDHNMRLIV-UHFFFAOYSA-N -1 0 311.319 -0.315 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(CN2C(=O)NC3(CCOCC3)C2=O)C1 ZINC000833360298 601372159 /nfs/dbraw/zinc/37/21/59/601372159.db2.gz FESBYXPMOJVGFO-GFCCVEGCSA-N -1 0 315.301 -0.457 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC(C)(C)CC(=O)[O-] ZINC000767037029 601373017 /nfs/dbraw/zinc/37/30/17/601373017.db2.gz MUNBVLTVMQDKEB-UHFFFAOYSA-N -1 0 324.399 -0.300 20 0 DBADRM NC(=O)c1cc([N+](=O)[O-])cnc1N1CCO[C@H](CC(=O)[O-])C1 ZINC000387374473 601382373 /nfs/dbraw/zinc/38/23/73/601382373.db2.gz BGNVTDRMVHUPJI-MRVPVSSYSA-N -1 0 310.266 -0.231 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC000825871797 601382739 /nfs/dbraw/zinc/38/27/39/601382739.db2.gz XXCMWOBILLQDHC-UHFFFAOYSA-N -1 0 314.323 -0.659 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)c1ccsc1 ZINC000831067310 601383858 /nfs/dbraw/zinc/38/38/58/601383858.db2.gz OPVMRMPISNPLLF-MRVPVSSYSA-N -1 0 314.319 -0.390 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000320631881 601386327 /nfs/dbraw/zinc/38/63/27/601386327.db2.gz BVHSZBAYLJDBCY-NWDGAFQWSA-N -1 0 311.382 -0.232 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000320631883 601386532 /nfs/dbraw/zinc/38/65/32/601386532.db2.gz BVHSZBAYLJDBCY-RYUDHWBXSA-N -1 0 311.382 -0.232 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)c2nc3n(n2)CCCN3)n1 ZINC000833269193 601387396 /nfs/dbraw/zinc/38/73/96/601387396.db2.gz LSPBGCLGQUNVFE-UHFFFAOYSA-N -1 0 308.323 -0.313 20 0 DBADRM COC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000163424194 601392729 /nfs/dbraw/zinc/39/27/29/601392729.db2.gz MTWRDOLUJLKLMI-SSDOTTSWSA-N -1 0 319.291 -0.460 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000829895906 601396712 /nfs/dbraw/zinc/39/67/12/601396712.db2.gz HTNLCHOYRAIIEE-LLVKDONJSA-N -1 0 322.383 -0.483 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(CC(=O)[O-])C1CC1 ZINC000037592604 601402058 /nfs/dbraw/zinc/40/20/58/601402058.db2.gz WXQROTJASBSVQG-JTQLQIEISA-N -1 0 320.367 -0.192 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)NCc2cn[nH]n2)cc1 ZINC000398387334 601404829 /nfs/dbraw/zinc/40/48/29/601404829.db2.gz XDXIOGAKCCDYMV-UHFFFAOYSA-N -1 0 318.293 -0.059 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)NCCSCC(=O)[O-])CC1 ZINC000832664832 601416154 /nfs/dbraw/zinc/41/61/54/601416154.db2.gz RSQQMVVMURUVNC-UHFFFAOYSA-N -1 0 324.424 -0.072 20 0 DBADRM O=C([O-])c1ccc(OC[C@H](O)CN2CCO[C@@H](CO)C2)cc1 ZINC000833322177 601427241 /nfs/dbraw/zinc/42/72/41/601427241.db2.gz YAUQFLAVCINISV-TZMCWYRMSA-N -1 0 311.334 -0.182 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@](F)(C(=O)[O-])C2)CC1 ZINC000825841069 601437408 /nfs/dbraw/zinc/43/74/08/601437408.db2.gz OSTKSKJDICKOOI-QMTHXVAHSA-N -1 0 315.345 -0.436 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000831643884 601440207 /nfs/dbraw/zinc/44/02/07/601440207.db2.gz RIKLFKPKYUBQAI-PELKAZGASA-N -1 0 305.306 -0.654 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC(=O)Nc3ccccc32)nn1 ZINC000316861549 601447841 /nfs/dbraw/zinc/44/78/41/601447841.db2.gz SYYBZGAMRDFELZ-UHFFFAOYSA-N -1 0 301.262 -0.038 20 0 DBADRM COC(=O)C[C@@H]1CN(CCC(=O)N(C)CC(=O)[O-])CCO1 ZINC000831148747 601455078 /nfs/dbraw/zinc/45/50/78/601455078.db2.gz YDAPNCJUZWXPIM-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000826005614 601455391 /nfs/dbraw/zinc/45/53/91/601455391.db2.gz ZEDFXEVAHRYNKR-GRYCIOLGSA-N -1 0 300.355 -0.154 20 0 DBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000767051550 601458583 /nfs/dbraw/zinc/45/85/83/601458583.db2.gz NDVOHEDXOIDODD-LFAOLKIESA-N -1 0 323.349 -0.143 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCN2C(=O)NC[C@@H]2C1)C(=O)[O-] ZINC000826785765 601461761 /nfs/dbraw/zinc/46/17/61/601461761.db2.gz DRFYARBYKXQOKT-MNOVXSKESA-N -1 0 312.370 -0.689 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCN2C(=O)NC[C@H]2C1)C(=O)[O-] ZINC000826785766 601461765 /nfs/dbraw/zinc/46/17/65/601461765.db2.gz DRFYARBYKXQOKT-QWRGUYRKSA-N -1 0 312.370 -0.689 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN2C(=O)NC[C@@H]2C1)C(=O)[O-] ZINC000828717057 601462025 /nfs/dbraw/zinc/46/20/25/601462025.db2.gz IVWNBZMYAFNDSW-UMNHJUIQSA-N -1 0 312.370 -0.689 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NCC(=O)NC1CC1 ZINC000819592142 601467240 /nfs/dbraw/zinc/46/72/40/601467240.db2.gz GSXWTTSGRMUWJC-UHFFFAOYSA-N -1 0 319.317 -0.353 20 0 DBADRM CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)CCS(C)(=O)=O ZINC000828671830 601479397 /nfs/dbraw/zinc/47/93/97/601479397.db2.gz HCJHMVNMGMOSEJ-VIFPVBQESA-N -1 0 301.386 -0.406 20 0 DBADRM C[C@@H](OC(=O)CCOC1CCOCC1)C(=O)NCC(=O)[O-] ZINC000827833393 601483719 /nfs/dbraw/zinc/48/37/19/601483719.db2.gz GPFFMSZQEUHDOB-SECBINFHSA-N -1 0 303.311 -0.295 20 0 DBADRM COC[C@@H](CCO)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000831651117 601489657 /nfs/dbraw/zinc/48/96/57/601489657.db2.gz RBBQGNRTDBKKFL-LLVKDONJSA-N -1 0 324.333 -0.234 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)n(C)n1 ZINC000830223988 601490631 /nfs/dbraw/zinc/49/06/31/601490631.db2.gz CUNXDTJJWBYNLA-JTQLQIEISA-N -1 0 324.337 -0.377 20 0 DBADRM COc1ncccc1NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000832659790 601491069 /nfs/dbraw/zinc/49/10/69/601491069.db2.gz LSHUOAPGGCLQGW-SECBINFHSA-N -1 0 323.305 -0.269 20 0 DBADRM COc1ncccc1NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000832659792 601491166 /nfs/dbraw/zinc/49/11/66/601491166.db2.gz LSHUOAPGGCLQGW-VIFPVBQESA-N -1 0 323.305 -0.269 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)no1 ZINC000830224586 601493307 /nfs/dbraw/zinc/49/33/07/601493307.db2.gz QIYXPEZGJQUWAE-VIFPVBQESA-N -1 0 311.294 -0.122 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CCO[C@@H](CO)C1 ZINC000819585926 601497024 /nfs/dbraw/zinc/49/70/24/601497024.db2.gz LTIHZDWLAAUFCK-LLVKDONJSA-N -1 0 322.317 -0.528 20 0 DBADRM CN(CCN1CCOCC1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830785539 601512614 /nfs/dbraw/zinc/51/26/14/601512614.db2.gz YDXVOAUGTACELB-UHFFFAOYSA-N -1 0 320.411 -0.165 20 0 DBADRM NC(=O)N1CCCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000833083977 601512845 /nfs/dbraw/zinc/51/28/45/601512845.db2.gz RYWCGXVRJAQROU-UHFFFAOYSA-N -1 0 319.383 -0.343 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@H](CC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000767077357 601520316 /nfs/dbraw/zinc/52/03/16/601520316.db2.gz PGLVJSGVPHDEGR-MVIFTORASA-N -1 0 321.333 -0.533 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000826718003 601521131 /nfs/dbraw/zinc/52/11/31/601521131.db2.gz XXSSJRFEDZZAAB-MWLCHTKSSA-N -1 0 306.384 -0.070 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCc2c(ncn2C)C1 ZINC000830742668 601522222 /nfs/dbraw/zinc/52/22/22/601522222.db2.gz MFNNZFYXBJADAV-UHFFFAOYSA-N -1 0 302.356 -0.571 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000833250321 601550861 /nfs/dbraw/zinc/55/08/61/601550861.db2.gz HGAPHOCFEBLMLF-GHMZBOCLSA-N -1 0 318.395 -0.381 20 0 DBADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1C[C@H](O)C[C@H](O)C1 ZINC000826009065 601557237 /nfs/dbraw/zinc/55/72/37/601557237.db2.gz QOJWPKMPQMXJNH-HONMWMINSA-N -1 0 322.361 -0.183 20 0 DBADRM O=C([O-])Nc1ccc(CNC(=O)CN2C[C@H](O)C[C@H](O)C2)cc1 ZINC000833286707 601557538 /nfs/dbraw/zinc/55/75/38/601557538.db2.gz URPRVGFQRPGQPG-BETUJISGSA-N -1 0 323.349 -0.180 20 0 DBADRM Cc1oc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000819051436 601558232 /nfs/dbraw/zinc/55/82/32/601558232.db2.gz YRHDUISCIIMJTE-QMMMGPOBSA-N -1 0 318.307 -0.839 20 0 DBADRM C[C@@H](CN(Cn1nnc2c(cnn2C)c1=O)C1CC1)C(=O)[O-] ZINC000827454555 601559108 /nfs/dbraw/zinc/55/91/08/601559108.db2.gz CLAFOVJHCVPDQK-QMMMGPOBSA-N -1 0 306.326 -0.332 20 0 DBADRM O=C([O-])c1cn(CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)nn1 ZINC000833337713 601560295 /nfs/dbraw/zinc/56/02/95/601560295.db2.gz HQXYQUZJBNCOSD-WDEREUQCSA-N -1 0 314.367 -0.025 20 0 DBADRM O=C([O-])c1ncn(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)n1 ZINC000833344724 601560337 /nfs/dbraw/zinc/56/03/37/601560337.db2.gz HGTXZUMMDDZPTG-NXEZZACHSA-N -1 0 314.367 -0.025 20 0 DBADRM CNC(=O)CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000830992138 601568078 /nfs/dbraw/zinc/56/80/78/601568078.db2.gz YSZPJTZAWNJXMQ-UHFFFAOYSA-N -1 0 308.262 -0.313 20 0 DBADRM CN(CC(=O)NC1CC1)S(=O)(=O)c1csnc1C(=O)[O-] ZINC000830674902 601568256 /nfs/dbraw/zinc/56/82/56/601568256.db2.gz VYCRPRYIMFDHJI-UHFFFAOYSA-N -1 0 319.364 -0.260 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(N)=O ZINC000827756146 601568964 /nfs/dbraw/zinc/56/89/64/601568964.db2.gz WUKKGQDHLXHXLB-BYPYZUCNSA-N -1 0 308.262 -0.185 20 0 DBADRM C[C@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000827967134 601569913 /nfs/dbraw/zinc/56/99/13/601569913.db2.gz ZLRMOBYIKWTADI-RKDXNWHRSA-N -1 0 310.358 -0.244 20 0 DBADRM CCN(CC(=O)N(C)C)S(=O)(=O)c1csnc1C(=O)[O-] ZINC000829619282 601570652 /nfs/dbraw/zinc/57/06/52/601570652.db2.gz ZBPNOPRAXUQRGM-UHFFFAOYSA-N -1 0 321.380 -0.060 20 0 DBADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN(CCO)CCO ZINC000833194518 601575351 /nfs/dbraw/zinc/57/53/51/601575351.db2.gz IXDILYORYRTDCX-CQSZACIVSA-N -1 0 322.361 -0.689 20 0 DBADRM CN1CCN(C(=O)Nc2nnc(CCC(=O)[O-])s2)CC1=O ZINC000830949606 601587593 /nfs/dbraw/zinc/58/75/93/601587593.db2.gz FERUGUBDZNNENR-UHFFFAOYSA-N -1 0 313.339 -0.139 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N(C)C2CCOCC2)C[C@@H]1C(=O)[O-] ZINC000828471852 601589275 /nfs/dbraw/zinc/58/92/75/601589275.db2.gz OSBHZMRQUBVCQS-ONGXEEELSA-N -1 0 306.384 -0.006 20 0 DBADRM CC(C)[C@@H](NC1CCOCC1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000826716851 601589323 /nfs/dbraw/zinc/58/93/23/601589323.db2.gz LDMPNIKYBJVRET-CYBMUJFWSA-N -1 0 316.354 -0.476 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@H]1C ZINC000095017683 601589565 /nfs/dbraw/zinc/58/95/65/601589565.db2.gz YBOSLBXUQZZKFQ-BDAKNGLRSA-N -1 0 308.356 -0.621 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000831155026 601589998 /nfs/dbraw/zinc/58/99/98/601589998.db2.gz FFJFKJLEZKOHJT-BDAKNGLRSA-N -1 0 308.356 -0.621 20 0 DBADRM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(C(=O)[O-])o2)CCOC1 ZINC000831093788 601595989 /nfs/dbraw/zinc/59/59/89/601595989.db2.gz KWAZPMZVJDMOHY-LLVKDONJSA-N -1 0 319.291 -0.412 20 0 DBADRM CN(CC(=O)N[C@@H](C(=O)[O-])C1CC1)c1ncnc2nc[nH]c21 ZINC000830670144 601597158 /nfs/dbraw/zinc/59/71/58/601597158.db2.gz XPOMOXXYQUXCET-SECBINFHSA-N -1 0 304.310 -0.232 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](CN2CCO[C@H](CC(=O)[O-])C2)C1 ZINC000093698284 601597232 /nfs/dbraw/zinc/59/72/32/601597232.db2.gz PSXLBDQHGBGJII-NWDGAFQWSA-N -1 0 320.411 -0.167 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](CN2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC000225318280 601597434 /nfs/dbraw/zinc/59/74/34/601597434.db2.gz PSXLBDQHGBGJII-NEPJUHHUSA-N -1 0 320.411 -0.167 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)NCC2(C(=O)[O-])CCCC2)C1=O ZINC000830894501 601601617 /nfs/dbraw/zinc/60/16/17/601601617.db2.gz KVJQIGXFPAFEFH-UHFFFAOYSA-N -1 0 311.294 -0.832 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1cnc2sccn2c1=O ZINC000088375226 601606359 /nfs/dbraw/zinc/60/63/59/601606359.db2.gz XYZGQAKPVMQRCM-QMMMGPOBSA-N -1 0 309.303 -0.318 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)N2CCOC[C@@H]2C(=O)[O-])C1=O ZINC000316542254 601608147 /nfs/dbraw/zinc/60/81/47/601608147.db2.gz CNADZPWNPKMIAM-OQPBUACISA-N -1 0 313.310 -0.981 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC000818547342 601628570 /nfs/dbraw/zinc/62/85/70/601628570.db2.gz GTDPWOCPQWUTNS-VIFPVBQESA-N -1 0 310.310 -0.599 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000831807612 601629727 /nfs/dbraw/zinc/62/97/27/601629727.db2.gz QYBQDXUTPRERRE-SNVBAGLBSA-N -1 0 324.337 -0.209 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N[C@@H](C(=O)[O-])C1CC1)n1cccn1 ZINC000825972492 601630370 /nfs/dbraw/zinc/63/03/70/601630370.db2.gz UOSUZVWWLLFJGY-BXKDBHETSA-N -1 0 308.338 -0.118 20 0 DBADRM O=C(CSCC(=O)N1CCOCC1)N[C@H](C(=O)[O-])C1CC1 ZINC000054501026 601630821 /nfs/dbraw/zinc/63/08/21/601630821.db2.gz QLOQXHUXTVOJBK-LBPRGKRZSA-N -1 0 316.379 -0.442 20 0 DBADRM O=C([O-])[C@H](NC(=O)COCC(=O)NCc1cccnc1)C1CC1 ZINC000833112334 601630835 /nfs/dbraw/zinc/63/08/35/601630835.db2.gz KSAPXIRPOKAUSW-CQSZACIVSA-N -1 0 321.333 -0.306 20 0 DBADRM O=C([O-])CN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)C1CC1 ZINC000833244797 601631626 /nfs/dbraw/zinc/63/16/26/601631626.db2.gz HPSJYYFZMVIXJU-UHFFFAOYSA-N -1 0 309.322 -0.073 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)CCCC(=O)[O-] ZINC000826004983 601638538 /nfs/dbraw/zinc/63/85/38/601638538.db2.gz PORFEEHQBPPGOY-ZJUUUORDSA-N -1 0 307.368 -0.050 20 0 DBADRM C[C@H]1CN(C(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000828354238 601651245 /nfs/dbraw/zinc/65/12/45/601651245.db2.gz HLVHSOJDHYEDER-VHSXEESVSA-N -1 0 321.399 -0.370 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)CCC(=O)N2CCOCC2)C1 ZINC000833096216 601654851 /nfs/dbraw/zinc/65/48/51/601654851.db2.gz IRJIDXZRYBWAGA-ZDUSSCGKSA-N -1 0 302.302 -0.349 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000826970873 601656048 /nfs/dbraw/zinc/65/60/48/601656048.db2.gz FOLYXGDQXLCNND-CYBMUJFWSA-N -1 0 303.334 -0.532 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000826980727 601660009 /nfs/dbraw/zinc/66/00/09/601660009.db2.gz UTNPQATZISSPAN-ZJUUUORDSA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000826980725 601660045 /nfs/dbraw/zinc/66/00/45/601660045.db2.gz UTNPQATZISSPAN-UWVGGRQHSA-N -1 0 321.399 -0.324 20 0 DBADRM COC(=O)CSCCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000831185245 601667745 /nfs/dbraw/zinc/66/77/45/601667745.db2.gz QHJGFUUKFCJTQL-VIFPVBQESA-N -1 0 305.352 -0.015 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1=O ZINC000317011658 601670828 /nfs/dbraw/zinc/67/08/28/601670828.db2.gz SCTGXXLQIDLJAI-QMMMGPOBSA-N -1 0 313.310 -0.981 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000833041863 601690367 /nfs/dbraw/zinc/69/03/67/601690367.db2.gz FYSHEVCWSXWPKX-UHFFFAOYSA-N -1 0 309.322 -0.122 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)nn1 ZINC000833340517 601690429 /nfs/dbraw/zinc/69/04/29/601690429.db2.gz VDQHBOBFRJYENZ-QWRGUYRKSA-N -1 0 310.310 -0.617 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@@](C)(COC)C(=O)[O-])CC1=O ZINC000328477539 601693700 /nfs/dbraw/zinc/69/37/00/601693700.db2.gz JDXCWUPHKPRJMF-RNCFNFMXSA-N -1 0 302.327 -0.913 20 0 DBADRM COCCn1cc(C(=O)N[C@@](C)(COC)C(=O)[O-])ccc1=O ZINC000831800182 601698534 /nfs/dbraw/zinc/69/85/34/601698534.db2.gz GYJGYTJCJDDKNW-AWEZNQCLSA-N -1 0 312.322 -0.286 20 0 DBADRM COC[C@](C)(NC(=O)[C@@H](C)Sc1nncn1C)C(=O)[O-] ZINC000831596814 601698956 /nfs/dbraw/zinc/69/89/56/601698956.db2.gz KWZFJFMXERNGLY-HQJQHLMTSA-N -1 0 302.356 -0.098 20 0 DBADRM COC[C@](C)(NC(=O)CCSc1nnnn1C)C(=O)[O-] ZINC000831602573 601700315 /nfs/dbraw/zinc/70/03/15/601700315.db2.gz MEMLMFXNOTXLRZ-JTQLQIEISA-N -1 0 303.344 -0.702 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])C2CC2)s1 ZINC000833089095 601703616 /nfs/dbraw/zinc/70/36/16/601703616.db2.gz VIULRRLZQIFRGE-QMMMGPOBSA-N -1 0 304.349 -0.012 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1 ZINC000833125130 601703730 /nfs/dbraw/zinc/70/37/30/601703730.db2.gz HMOMEBKDOBNKBN-SNVBAGLBSA-N -1 0 303.274 -0.191 20 0 DBADRM C[C@H]1CN(C(=O)CCN2CCCS2(=O)=O)C[C@H]1C(=O)[O-] ZINC000828333285 601704137 /nfs/dbraw/zinc/70/41/37/601704137.db2.gz GJUSIDJGWQAPNB-VHSXEESVSA-N -1 0 304.368 -0.409 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000233802898 601708134 /nfs/dbraw/zinc/70/81/34/601708134.db2.gz IYXUMZZOLLXGQY-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)o1 ZINC000831033931 601718188 /nfs/dbraw/zinc/71/81/88/601718188.db2.gz HETMMLOBXRWQQD-SFYZADRCSA-N -1 0 316.335 -0.020 20 0 DBADRM CCOC(=O)[C@@H](CC1CC1)NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000829823356 601734549 /nfs/dbraw/zinc/73/45/49/601734549.db2.gz UHAMJPQLSABEBS-SECBINFHSA-N -1 0 310.310 -0.176 20 0 DBADRM C[C@]12CCC(=O)N1[C@H](C(=O)N[C@@]1(C(=O)[O-])CCOC1)CS2 ZINC000224759743 601735182 /nfs/dbraw/zinc/73/51/82/601735182.db2.gz JJGCMTNLEKHCHO-HJIKLVIJSA-N -1 0 314.363 -0.200 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000831025547 601738127 /nfs/dbraw/zinc/73/81/27/601738127.db2.gz SAPXIAFYDFKWNI-SNVBAGLBSA-N -1 0 304.299 -0.383 20 0 DBADRM Cn1nnnc1SCCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000833063756 601738752 /nfs/dbraw/zinc/73/87/52/601738752.db2.gz LJFJIKVWGLFJTO-QMMMGPOBSA-N -1 0 315.355 -0.606 20 0 DBADRM Cn1nnnc1SCCC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000833063750 601738880 /nfs/dbraw/zinc/73/88/80/601738880.db2.gz LJFJIKVWGLFJTO-MRVPVSSYSA-N -1 0 315.355 -0.606 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000829296573 601739181 /nfs/dbraw/zinc/73/91/81/601739181.db2.gz VODWWHYHEIBNHE-UWVGGRQHSA-N -1 0 301.343 -0.084 20 0 DBADRM CN(CC(=O)N[C@@H](C(=O)[O-])C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000830669525 601757506 /nfs/dbraw/zinc/75/75/06/601757506.db2.gz GJNMHCBSNQKZDE-GXSJLCMTSA-N -1 0 304.368 -0.915 20 0 DBADRM CN(CC(=O)N1CC[C@@](F)(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000830665598 601758929 /nfs/dbraw/zinc/75/89/29/601758929.db2.gz DJGMFXSVJMGHDB-SKDRFNHKSA-N -1 0 322.358 -0.870 20 0 DBADRM O=C(CCCCN1CCOCC1)N[C@@]1(C(=O)[O-])CCOC1 ZINC000833097838 601766299 /nfs/dbraw/zinc/76/62/99/601766299.db2.gz WLQCGNAHWLFIGI-AWEZNQCLSA-N -1 0 300.355 -0.151 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2n[nH]c(=O)c3ccccc32)CCOC1 ZINC000315892259 601767446 /nfs/dbraw/zinc/76/74/46/601767446.db2.gz BWCNTNBMTKAOHL-AWEZNQCLSA-N -1 0 303.274 -0.103 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN(C(=O)C2CC2)CC1)C(=O)[O-] ZINC000020397686 601771323 /nfs/dbraw/zinc/77/13/23/601771323.db2.gz ZSBJQAWCYZHYBE-SECBINFHSA-N -1 0 304.368 -0.409 20 0 DBADRM C[C@H]1CN(CCNC(=O)N2CCO[C@H](CC(=O)[O-])C2)CCO1 ZINC000828448831 601772368 /nfs/dbraw/zinc/77/23/68/601772368.db2.gz HEYARLWAPOXONA-NWDGAFQWSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CC1)C(=O)[O-] ZINC000827543218 601774241 /nfs/dbraw/zinc/77/42/41/601774241.db2.gz ZYJWMRXPVNYHON-WCBMZHEXSA-N -1 0 304.368 -0.220 20 0 DBADRM COCCN(CC(=O)N(C)C)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000831715679 601775590 /nfs/dbraw/zinc/77/55/90/601775590.db2.gz FIOUNMYNOGTYNV-VIFPVBQESA-N -1 0 310.372 -0.927 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)CCO1 ZINC000833215900 601777480 /nfs/dbraw/zinc/77/74/80/601777480.db2.gz ARMIAIZOFMJNJY-ZJUUUORDSA-N -1 0 309.326 -0.522 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)o1 ZINC000833084963 601780078 /nfs/dbraw/zinc/78/00/78/601780078.db2.gz CHEKSXUWZONBJL-VIFPVBQESA-N -1 0 311.294 -0.236 20 0 DBADRM CC[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000818140827 601781811 /nfs/dbraw/zinc/78/18/11/601781811.db2.gz NQXYMZQTDVYWDC-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN(c2cccnn2)CC1)C(=O)[O-] ZINC000827546619 601784972 /nfs/dbraw/zinc/78/49/72/601784972.db2.gz NWRVHYJYAGPWFX-JTQLQIEISA-N -1 0 314.367 -0.351 20 0 DBADRM COCCN1CCC[C@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC000831743641 601788291 /nfs/dbraw/zinc/78/82/91/601788291.db2.gz ADWLYOVWLVDMFM-MNOVXSKESA-N -1 0 308.400 -0.263 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)C(N)=O ZINC000825879309 601788848 /nfs/dbraw/zinc/78/88/48/601788848.db2.gz PQQZPMAHNHJGCS-CMPLNLGQSA-N -1 0 313.354 -0.484 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@H](C(=O)[O-])C1CCCCC1)C(N)=O ZINC000825879311 601788892 /nfs/dbraw/zinc/78/88/92/601788892.db2.gz PQQZPMAHNHJGCS-JQWIXIFHSA-N -1 0 313.354 -0.484 20 0 DBADRM CCc1nc2n(n1)C[C@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])CC2 ZINC000830323235 601791833 /nfs/dbraw/zinc/79/18/33/601791833.db2.gz YBHPAGCIWFXCQI-RKDXNWHRSA-N -1 0 316.383 -0.205 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCO[C@@H](Cn2cncn2)C1)C(=O)[O-] ZINC000827546209 601792252 /nfs/dbraw/zinc/79/22/52/601792252.db2.gz IWYMTBAGLGXTJF-UWVGGRQHSA-N -1 0 318.355 -0.971 20 0 DBADRM COCCN1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C[C@@H]1C ZINC000831745915 601792434 /nfs/dbraw/zinc/79/24/34/601792434.db2.gz SLLMJDNYBGJQCQ-MNOVXSKESA-N -1 0 308.400 -0.311 20 0 DBADRM CNc1cc2c(nn1)CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C2 ZINC000831041534 601792446 /nfs/dbraw/zinc/79/24/46/601792446.db2.gz BDLLSQFYPYRZDW-QMMMGPOBSA-N -1 0 314.367 -0.073 20 0 DBADRM COCCN1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C[C@@H]1C ZINC000831745916 601792526 /nfs/dbraw/zinc/79/25/26/601792526.db2.gz SLLMJDNYBGJQCQ-QWRGUYRKSA-N -1 0 308.400 -0.311 20 0 DBADRM C[C@H](CS(=O)(=O)Oc1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000827569921 601793751 /nfs/dbraw/zinc/79/37/51/601793751.db2.gz BNSGSEUVDUMKTJ-MRVPVSSYSA-N -1 0 317.319 -0.020 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC[C@@H](CN2CCOCC2)C1)C(=O)[O-] ZINC000827542949 601795146 /nfs/dbraw/zinc/79/51/46/601795146.db2.gz WXZKBOMPRIKRHT-RYUDHWBXSA-N -1 0 320.411 -0.309 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@@H]1CN1CCOCC1)C(=O)[O-] ZINC000827543213 601795600 /nfs/dbraw/zinc/79/56/00/601795600.db2.gz ZYAJJSXDZREJNZ-VXGBXAGGSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC[C@H](N2CCOCC2)C1)C(=O)[O-] ZINC000827542296 601795613 /nfs/dbraw/zinc/79/56/13/601795613.db2.gz SHZODOSYEMMZMN-QWRGUYRKSA-N -1 0 306.384 -0.557 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC[C@@H](N2CCOCC2)C1)C(=O)[O-] ZINC000827542297 601795622 /nfs/dbraw/zinc/79/56/22/601795622.db2.gz SHZODOSYEMMZMN-WDEREUQCSA-N -1 0 306.384 -0.557 20 0 DBADRM CNC(=O)CC1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000830984243 601797905 /nfs/dbraw/zinc/79/79/05/601797905.db2.gz MLADCQYSQKRUCA-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@@H](CS(=O)(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000827557144 601798547 /nfs/dbraw/zinc/79/85/47/601798547.db2.gz BOLCIQCOWJBMJS-QMMMGPOBSA-N -1 0 313.397 -0.549 20 0 DBADRM C[C@H](CS(=O)(=O)NCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000827557752 601798664 /nfs/dbraw/zinc/79/86/64/601798664.db2.gz GSVMEYXRDNGIHR-SSDOTTSWSA-N -1 0 301.386 -0.550 20 0 DBADRM CC(C)N1C(=O)C[C@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C1=O ZINC000827553338 601798717 /nfs/dbraw/zinc/79/87/17/601798717.db2.gz MVHWWBFLJYTPPU-YUMQZZPRSA-N -1 0 306.340 -0.838 20 0 DBADRM COC(=O)CNC(=O)CN1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000831180225 601799210 /nfs/dbraw/zinc/79/92/10/601799210.db2.gz PERNKKFPYPCINV-LBPRGKRZSA-N -1 0 306.318 -0.213 20 0 DBADRM COC(=O)C[C@@H]1CN(S(=O)(=O)C[C@H](C)C(=O)[O-])CCO1 ZINC000831148759 601799303 /nfs/dbraw/zinc/79/93/03/601799303.db2.gz YSQGMSAAAVBYDX-DTWKUNHWSA-N -1 0 309.340 -0.699 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1)C(=O)[O-] ZINC000827542612 601800305 /nfs/dbraw/zinc/80/03/05/601800305.db2.gz VFNTUBONNBMQNY-TUAOUCFPSA-N -1 0 320.411 -0.311 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)C(=O)[O-] ZINC000827542610 601800395 /nfs/dbraw/zinc/80/03/95/601800395.db2.gz VFNTUBONNBMQNY-IJLUTSLNSA-N -1 0 320.411 -0.311 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1)C(=O)[O-] ZINC000827545695 601800729 /nfs/dbraw/zinc/80/07/29/601800729.db2.gz CPYYMQFRKXEBCS-GXSJLCMTSA-N -1 0 317.367 -0.156 20 0 DBADRM C[C@@H]1CN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC000828333302 601800846 /nfs/dbraw/zinc/80/08/46/601800846.db2.gz GVFIXBGBGCBFTA-OUAUKWLOSA-N -1 0 318.395 -0.716 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)C(=O)[O-] ZINC000827545711 601803039 /nfs/dbraw/zinc/80/30/39/601803039.db2.gz CUXNDFHTVWDZBC-OUAUKWLOSA-N -1 0 307.368 -0.083 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCOC1CCOCC1 ZINC000831169962 601803329 /nfs/dbraw/zinc/80/33/29/601803329.db2.gz CBLDWVXHNTWWMN-UHFFFAOYSA-N -1 0 303.311 -0.342 20 0 DBADRM COC[C@](C)(NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-] ZINC000831628070 601804988 /nfs/dbraw/zinc/80/49/88/601804988.db2.gz WBHKROZIZXPZLQ-NSHDSACASA-N -1 0 323.367 -0.261 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)CC1(CC(=O)[O-])CC1)C(=O)OC ZINC000831627849 601805027 /nfs/dbraw/zinc/80/50/27/601805027.db2.gz PIRPBWRNSNANHC-LLVKDONJSA-N -1 0 323.367 -0.261 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-] ZINC000831628069 601805095 /nfs/dbraw/zinc/80/50/95/601805095.db2.gz WBHKROZIZXPZLQ-LLVKDONJSA-N -1 0 323.367 -0.261 20 0 DBADRM COC[C@](C)(NS(=O)(=O)CC1(CC(=O)[O-])CC1)C(=O)OC ZINC000831627851 601805120 /nfs/dbraw/zinc/80/51/20/601805120.db2.gz PIRPBWRNSNANHC-NSHDSACASA-N -1 0 323.367 -0.261 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)N[C@@](C)(COC)C(=O)[O-])C1=O ZINC000328555605 601817418 /nfs/dbraw/zinc/81/74/18/601817418.db2.gz ZCMHOUQKAJBCNG-STQMWFEESA-N -1 0 315.326 -0.687 20 0 DBADRM C[C@@H]1CN(CCNC(=O)[C@@H]2CSCN2C(=O)[O-])CCO1 ZINC000739183766 601855135 /nfs/dbraw/zinc/85/51/35/601855135.db2.gz SRCCYRIWLDMCQE-ZJUUUORDSA-N -1 0 303.384 -0.124 20 0 DBADRM NC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000740332662 601855476 /nfs/dbraw/zinc/85/54/76/601855476.db2.gz OMDAPSSXLRXIPX-DTWKUNHWSA-N -1 0 316.383 -0.054 20 0 DBADRM CCCn1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000818190410 601855813 /nfs/dbraw/zinc/85/58/13/601855813.db2.gz RUSZOFIWXDWUHJ-SNVBAGLBSA-N -1 0 310.310 -0.456 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)C(=O)[O-] ZINC000827466185 601859051 /nfs/dbraw/zinc/85/90/51/601859051.db2.gz IJHMCVVYPDSFDY-MWLCHTKSSA-N -1 0 324.337 -0.163 20 0 DBADRM COCc1nn(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)o1 ZINC000831830933 601869772 /nfs/dbraw/zinc/86/97/72/601869772.db2.gz ASFDYOSHRVBUSO-QMMMGPOBSA-N -1 0 301.299 -0.402 20 0 DBADRM C[C@]1(c2cccnc2)NC(=O)N(CC(=O)NCCC(=O)[O-])C1=O ZINC000828128096 601895402 /nfs/dbraw/zinc/89/54/02/601895402.db2.gz OINSICWZWCAZET-CQSZACIVSA-N -1 0 320.305 -0.561 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)NCc2ccc(C(=O)[O-])o2)O1 ZINC000833081940 601896871 /nfs/dbraw/zinc/89/68/71/601896871.db2.gz KTAPYUQXSHENBI-IONNQARKSA-N -1 0 311.294 -0.190 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000739581223 601898502 /nfs/dbraw/zinc/89/85/02/601898502.db2.gz DBQBUXZIMOFQJC-SNVBAGLBSA-N -1 0 324.337 -0.852 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000739312020 601907406 /nfs/dbraw/zinc/90/74/06/601907406.db2.gz LIVSVNPVYLDZKR-VHSXEESVSA-N -1 0 321.399 -0.037 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000739312019 601907463 /nfs/dbraw/zinc/90/74/63/601907463.db2.gz LIVSVNPVYLDZKR-UWVGGRQHSA-N -1 0 321.399 -0.037 20 0 DBADRM O=C([O-])N1CCC[C@H]1C(=O)NCCCN1CCCS1(=O)=O ZINC000740433743 601911021 /nfs/dbraw/zinc/91/10/21/601911021.db2.gz SIVSCFYZORLMDM-JTQLQIEISA-N -1 0 319.383 -0.329 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000739315530 601933886 /nfs/dbraw/zinc/93/38/86/601933886.db2.gz PKTBRRQPLIBNDA-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)[C@H](NC(=O)[O-])c2ccccc2)CCO1 ZINC000740329950 601939309 /nfs/dbraw/zinc/93/93/09/601939309.db2.gz ZKYINFQXGBLZRT-WDEREUQCSA-N -1 0 307.306 -0.292 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)Cn1cc([C@@H](C)O)nn1 ZINC000831725174 601942103 /nfs/dbraw/zinc/94/21/03/601942103.db2.gz QOMVJRGPUZPLAQ-SECBINFHSA-N -1 0 300.315 -0.719 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000739317531 601952280 /nfs/dbraw/zinc/95/22/80/601952280.db2.gz YISIDMQBYHVRNK-ISVAXAHUSA-N -1 0 312.326 -0.425 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000825999596 601969463 /nfs/dbraw/zinc/96/94/63/601969463.db2.gz FHJIGDCZHDTPMK-GBIKHYSHSA-N -1 0 318.395 -0.525 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000825999598 601969668 /nfs/dbraw/zinc/96/96/68/601969668.db2.gz FHJIGDCZHDTPMK-NRUUGDAUSA-N -1 0 318.395 -0.525 20 0 DBADRM CN1CCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1=O ZINC000830960490 601983306 /nfs/dbraw/zinc/98/33/06/601983306.db2.gz PGZQACLXOVXXSD-UHFFFAOYSA-N -1 0 316.310 -0.013 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000262202967 602005689 /nfs/dbraw/zinc/00/56/89/602005689.db2.gz JNPYLHXOUDGVBG-CQSZACIVSA-N -1 0 313.354 -0.658 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000262202965 602005841 /nfs/dbraw/zinc/00/58/41/602005841.db2.gz JNPYLHXOUDGVBG-AWEZNQCLSA-N -1 0 313.354 -0.658 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1=O ZINC000387726780 602008628 /nfs/dbraw/zinc/00/86/28/602008628.db2.gz SNGZRFSUOUPDKR-CQSZACIVSA-N -1 0 311.338 -0.016 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000827991597 602008866 /nfs/dbraw/zinc/00/88/66/602008866.db2.gz SHCSJHISQCNNOI-LBPRGKRZSA-N -1 0 304.368 -0.960 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN3C(=O)OC[C@H]3C2)o1 ZINC000833324844 602010170 /nfs/dbraw/zinc/01/01/70/602010170.db2.gz MXTGTWVSMONFHM-SSDOTTSWSA-N -1 0 316.291 -0.197 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)CN(C)S(C)(=O)=O ZINC000738998950 602012199 /nfs/dbraw/zinc/01/21/99/602012199.db2.gz FDHUNPVRVAMHQV-VHSXEESVSA-N -1 0 321.399 -0.085 20 0 DBADRM CS(=O)(=O)CCNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739985704 602018266 /nfs/dbraw/zinc/01/82/66/602018266.db2.gz YCEPWXDARGGCGZ-VIFPVBQESA-N -1 0 307.372 -0.280 20 0 DBADRM O=C([O-])CNC(=O)CN1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000821530834 602025618 /nfs/dbraw/zinc/02/56/18/602025618.db2.gz MUCGOIPBUPOFPY-QWRGUYRKSA-N -1 0 312.322 -0.395 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000739035899 602031399 /nfs/dbraw/zinc/03/13/99/602031399.db2.gz KJSIZDXZJOPWSE-MRVPVSSYSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000739035903 602031445 /nfs/dbraw/zinc/03/14/45/602031445.db2.gz KJSIZDXZJOPWSE-QMMMGPOBSA-N -1 0 307.372 -0.570 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c(C)n1 ZINC000818593858 602032503 /nfs/dbraw/zinc/03/25/03/602032503.db2.gz YIXRKDXVWFCITA-JTQLQIEISA-N -1 0 323.305 -0.351 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000830017269 602039031 /nfs/dbraw/zinc/03/90/31/602039031.db2.gz JXRHSKKCJNKUOJ-GFCCVEGCSA-N -1 0 322.383 -0.688 20 0 DBADRM CN(C)CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000830604888 602048382 /nfs/dbraw/zinc/04/83/82/602048382.db2.gz WMAXEJBTIUTASP-GMTAPVOTSA-N -1 0 318.395 -0.716 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000739583394 602054104 /nfs/dbraw/zinc/05/41/04/602054104.db2.gz ONDVLCORIGGOQJ-ZJUUUORDSA-N -1 0 319.383 -0.043 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCN(C(=O)NCCNC(=O)[O-])C1 ZINC000739982279 602062112 /nfs/dbraw/zinc/06/21/12/602062112.db2.gz GSLKDYPUEXQJTQ-SECBINFHSA-N -1 0 307.372 -0.280 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)Cn1nc2ccccn2c1=O ZINC000829960358 602071893 /nfs/dbraw/zinc/07/18/93/602071893.db2.gz GOICFJUGMJUJKU-JTQLQIEISA-N -1 0 322.321 -0.556 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000827262061 602076127 /nfs/dbraw/zinc/07/61/27/602076127.db2.gz DZDSSJORFXOQKS-GHMZBOCLSA-N -1 0 318.395 -0.572 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC(CC(=O)[O-])CC2)O1 ZINC000833081481 602093845 /nfs/dbraw/zinc/09/38/45/602093845.db2.gz HDNFLONIZKFAOJ-MNOVXSKESA-N -1 0 313.354 -0.084 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000827296368 602101365 /nfs/dbraw/zinc/10/13/65/602101365.db2.gz TVTFFPZUSSUVTL-SECBINFHSA-N -1 0 321.333 -0.371 20 0 DBADRM COC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738062918 602129567 /nfs/dbraw/zinc/12/95/67/602129567.db2.gz SQMUAOUXHRNNBN-OAHLLOKOSA-N -1 0 324.333 -0.234 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000833228487 602134042 /nfs/dbraw/zinc/13/40/42/602134042.db2.gz PUARNWOSYHWYBZ-NXEZZACHSA-N -1 0 304.368 -0.076 20 0 DBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N[C@@H](C)CO ZINC000832902301 602136405 /nfs/dbraw/zinc/13/64/05/602136405.db2.gz NOTXLRRNXASABY-VIFPVBQESA-N -1 0 310.306 -0.106 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)CC[C@@H]1CCCO1 ZINC000831074254 602143180 /nfs/dbraw/zinc/14/31/80/602143180.db2.gz WHJXVHHAAXKFOZ-DTWKUNHWSA-N -1 0 309.340 -0.509 20 0 DBADRM COC(=O)C[C@H](C)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000831123761 602156281 /nfs/dbraw/zinc/15/62/81/602156281.db2.gz DLSUTRLYPQZTMV-NSHDSACASA-N -1 0 316.354 -0.569 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000739247985 602166646 /nfs/dbraw/zinc/16/66/46/602166646.db2.gz ZQONGJHJMFUYLQ-NSHDSACASA-N -1 0 314.386 -0.345 20 0 DBADRM CCNC(=O)N1CC[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000829794511 602168953 /nfs/dbraw/zinc/16/89/53/602168953.db2.gz GIECFYFFEIYMFK-SECBINFHSA-N -1 0 322.387 -0.969 20 0 DBADRM CN1CCO[C@@H]2CN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C[C@@H]21 ZINC000830965224 602174849 /nfs/dbraw/zinc/17/48/49/602174849.db2.gz PJDKKDQKYYCHST-WDEREUQCSA-N -1 0 315.351 -0.584 20 0 DBADRM COC(=O)CCNC(=O)c1ccc(C(=O)NCCC(=O)[O-])o1 ZINC000831159603 602182278 /nfs/dbraw/zinc/18/22/78/602182278.db2.gz AYZZJCMXOOBBMD-UHFFFAOYSA-N -1 0 312.278 -0.223 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000740635714 602189251 /nfs/dbraw/zinc/18/92/51/602189251.db2.gz XEFHAYXOUYAJPL-VIFPVBQESA-N -1 0 310.310 -0.957 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)c2cccn2C)CC1)C(=O)[O-] ZINC000739620208 602192261 /nfs/dbraw/zinc/19/22/61/602192261.db2.gz AKQQMLUJPQGVFU-UHFFFAOYSA-N -1 0 308.338 -0.081 20 0 DBADRM CN(CC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)C(=O)[O-] ZINC000739617406 602196552 /nfs/dbraw/zinc/19/65/52/602196552.db2.gz RFPHLCNEPYJMSE-UHFFFAOYSA-N -1 0 307.372 -0.521 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CN(C)C(=O)[O-])C1 ZINC000738543454 602204660 /nfs/dbraw/zinc/20/46/60/602204660.db2.gz TXZVPIIBCCGUDQ-SNVBAGLBSA-N -1 0 315.326 -0.734 20 0 DBADRM C[C@H](OC(=O)CN(C)C(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC000739041204 602205987 /nfs/dbraw/zinc/20/59/87/602205987.db2.gz HCEGHBMAKPXWHP-QMMMGPOBSA-N -1 0 315.326 -0.735 20 0 DBADRM C[C@@H](OC(=O)CN(C)C(=O)[O-])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000739041041 602206022 /nfs/dbraw/zinc/20/60/22/602206022.db2.gz FPIICMDPKODYLZ-RKDXNWHRSA-N -1 0 315.326 -0.748 20 0 DBADRM C[C@H](OC(=O)CN(C)C(=O)[O-])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000739041037 602206239 /nfs/dbraw/zinc/20/62/39/602206239.db2.gz FPIICMDPKODYLZ-IUCAKERBSA-N -1 0 315.326 -0.748 20 0 DBADRM C[C@@H](CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1)[S@@](C)=O ZINC000229786151 602226731 /nfs/dbraw/zinc/22/67/31/602226731.db2.gz UOTFYXBJUSCKIE-WPCRTTGESA-N -1 0 323.396 -0.597 20 0 DBADRM COCCN(C)S(=O)(=O)N(C)[C@H](COC(C)C)C(=O)[O-] ZINC000831710477 602229369 /nfs/dbraw/zinc/22/93/69/602229369.db2.gz YEEAHVVLKRGXBA-SNVBAGLBSA-N -1 0 312.388 -0.381 20 0 DBADRM O=C([O-])NCCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000739942279 602232298 /nfs/dbraw/zinc/23/22/98/602232298.db2.gz OPMGCGMLQVJJSD-UHFFFAOYSA-N -1 0 312.370 -0.589 20 0 DBADRM Cc1ocnc1C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740271193 602247502 /nfs/dbraw/zinc/24/75/02/602247502.db2.gz CZENWUVQWTUICT-UHFFFAOYSA-N -1 0 310.310 -0.123 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)COc2cccnc2)CC1 ZINC000740381617 602257007 /nfs/dbraw/zinc/25/70/07/602257007.db2.gz URDOPYKKBDUSRQ-UHFFFAOYSA-N -1 0 322.321 -0.601 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)NCCN(C(=O)[O-])C1CC1 ZINC000739703242 602261186 /nfs/dbraw/zinc/26/11/86/602261186.db2.gz AFYFNXWQAQZUIU-UHFFFAOYSA-N -1 0 307.372 -0.185 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@@H]1CCNC(=O)C1)C(=O)[O-] ZINC000828720886 602261380 /nfs/dbraw/zinc/26/13/80/602261380.db2.gz ZKILLGGUAFMQOY-SBMIAAHKSA-N -1 0 314.338 -0.329 20 0 DBADRM NS(=O)(=O)C1CCN(C(=O)[C@H]2CCCN2C(=O)[O-])CC1 ZINC000740340600 602262152 /nfs/dbraw/zinc/26/21/52/602262152.db2.gz GQVMPARPFFVWMC-SECBINFHSA-N -1 0 305.356 -0.592 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000827324586 602271650 /nfs/dbraw/zinc/27/16/50/602271650.db2.gz IMJAVUVDYAIGJH-RKDXNWHRSA-N -1 0 314.338 -0.234 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@@H](C)CC(=O)[O-] ZINC000831643162 602275208 /nfs/dbraw/zinc/27/52/08/602275208.db2.gz BZLSFLPBABRMNI-YUMQZZPRSA-N -1 0 304.299 -0.499 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC000827333263 602275595 /nfs/dbraw/zinc/27/55/95/602275595.db2.gz JCKOPSSNFZYDCM-RKDXNWHRSA-N -1 0 300.311 -0.493 20 0 DBADRM O=C([O-])NCCOc1cccc(NC(=O)Cn2cnnn2)c1 ZINC000740670042 602277091 /nfs/dbraw/zinc/27/70/91/602277091.db2.gz HUVAWRDBCKLOPD-UHFFFAOYSA-N -1 0 306.282 -0.042 20 0 DBADRM CN1CCO[C@@H]2CN(C(=O)Nc3ccn(CC(=O)[O-])n3)C[C@H]21 ZINC000830966258 602279727 /nfs/dbraw/zinc/27/97/27/602279727.db2.gz YQNXFZVEPGILAU-NXEZZACHSA-N -1 0 309.326 -0.486 20 0 DBADRM CN1CCO[C@H]2CN(C(=O)Nc3ccn(CC(=O)[O-])n3)C[C@@H]21 ZINC000830966259 602279820 /nfs/dbraw/zinc/27/98/20/602279820.db2.gz YQNXFZVEPGILAU-UWVGGRQHSA-N -1 0 309.326 -0.486 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)OCC(=O)NCC(=O)NC(C)(C)C ZINC000827334194 602279938 /nfs/dbraw/zinc/27/99/38/602279938.db2.gz RPTNBECWCCOUSC-QMMMGPOBSA-N -1 0 302.327 -0.329 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)NCCN(C)C(=O)[O-])n1cccn1 ZINC000738601251 602294595 /nfs/dbraw/zinc/29/45/95/602294595.db2.gz LMPHWLFKMIGYRR-JTQLQIEISA-N -1 0 311.342 -0.372 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)NCCn2ncnn2)c(C(=O)[O-])c1C ZINC000825928669 602296536 /nfs/dbraw/zinc/29/65/36/602296536.db2.gz CLAGLBNOIGNVQB-UHFFFAOYSA-N -1 0 320.309 -0.431 20 0 DBADRM CN(CCNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)[O-] ZINC000739692518 602298935 /nfs/dbraw/zinc/29/89/35/602298935.db2.gz QLYDWRSTWMYGJC-NXEZZACHSA-N -1 0 311.338 -0.112 20 0 DBADRM CN(CCNC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000739695604 602299007 /nfs/dbraw/zinc/29/90/07/602299007.db2.gz VYRLCADDLDCSPV-UHFFFAOYSA-N -1 0 305.294 -0.483 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NC(C)(C)CNC(=O)[O-])nn1 ZINC000739598393 602303797 /nfs/dbraw/zinc/30/37/97/602303797.db2.gz YZDKGUSDUPCAHJ-UHFFFAOYSA-N -1 0 312.330 -0.858 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)Cn1nnc2ccccc2c1=O ZINC000738748895 602308392 /nfs/dbraw/zinc/30/83/92/602308392.db2.gz GWOPHBSXAGEWQN-UHFFFAOYSA-N -1 0 319.321 -0.046 20 0 DBADRM CCN(CCNC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000739425105 602315139 /nfs/dbraw/zinc/31/51/39/602315139.db2.gz KXYDDNDCYXFZHC-UHFFFAOYSA-N -1 0 319.321 -0.092 20 0 DBADRM CCN(CCNC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000739424289 602315720 /nfs/dbraw/zinc/31/57/20/602315720.db2.gz FGORXIBUPHSCCF-UHFFFAOYSA-N -1 0 322.325 -0.754 20 0 DBADRM CN(CCNS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000739700774 602316087 /nfs/dbraw/zinc/31/60/87/602316087.db2.gz IRWWKAVAQQEWDJ-UHFFFAOYSA-N -1 0 314.385 -0.907 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCN(C)C(=O)[O-] ZINC000739470638 602316926 /nfs/dbraw/zinc/31/69/26/602316926.db2.gz ZDBSKIATDXCQFC-VIFPVBQESA-N -1 0 323.371 -0.542 20 0 DBADRM COCC(=O)NC1CCN(C(=O)NCCNC(=O)[O-])CC1 ZINC000739804407 602320930 /nfs/dbraw/zinc/32/09/30/602320930.db2.gz GCIAOLGIUQGOQU-UHFFFAOYSA-N -1 0 302.331 -0.809 20 0 DBADRM CN(CC(=O)N1CCN(c2ncccc2C(N)=O)CC1)C(=O)[O-] ZINC000739621827 602326051 /nfs/dbraw/zinc/32/60/51/602326051.db2.gz PRHZEIQGBBTOBP-UHFFFAOYSA-N -1 0 321.337 -0.561 20 0 DBADRM CN(CC(=O)NCc1cccc(CS(N)(=O)=O)c1)C(=O)[O-] ZINC000737393932 602326563 /nfs/dbraw/zinc/32/65/63/602326563.db2.gz VFWRDYJNWPRYKA-UHFFFAOYSA-N -1 0 315.351 -0.299 20 0 DBADRM CCN(CCCNC(=O)N1CCO[C@@H](C(=O)OC)C1)C(=O)[O-] ZINC000739418044 602331328 /nfs/dbraw/zinc/33/13/28/602331328.db2.gz WHAKMSMCGZXELN-SNVBAGLBSA-N -1 0 317.342 -0.040 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCCN(C)C(=O)[O-])c1 ZINC000739697184 602341166 /nfs/dbraw/zinc/34/11/66/602341166.db2.gz INOBKCFCCJERBF-UHFFFAOYSA-N -1 0 318.355 -0.395 20 0 DBADRM O=C([O-])NCCCNC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000740653211 602344350 /nfs/dbraw/zinc/34/43/50/602344350.db2.gz ZALOVRQQJAPJNX-UHFFFAOYSA-N -1 0 321.399 -0.034 20 0 DBADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Cn1cc(CO)nn1 ZINC000833194130 602345867 /nfs/dbraw/zinc/34/58/67/602345867.db2.gz AIWMJRMPYNLDDM-ZDUSSCGKSA-N -1 0 316.317 -0.192 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCCNC(=O)[O-] ZINC000739991137 602348984 /nfs/dbraw/zinc/34/89/84/602348984.db2.gz KNLJFOWJJUHRLC-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)NCCCNC(=O)[O-])C1=O ZINC000739262800 602350885 /nfs/dbraw/zinc/35/08/85/602350885.db2.gz FOQZNDDYINVJCK-UHFFFAOYSA-N -1 0 314.342 -0.129 20 0 DBADRM O=C([O-])NCCCNC(=O)CSCC(=O)N1CCOCC1 ZINC000740653336 602351372 /nfs/dbraw/zinc/35/13/72/602351372.db2.gz PTYJSJYOHXIEIF-UHFFFAOYSA-N -1 0 319.383 -0.648 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)C2(NC(=O)[O-])CCCC2)CC1 ZINC000739992946 602356885 /nfs/dbraw/zinc/35/68/85/602356885.db2.gz UWKOKWSBEDBIEI-UHFFFAOYSA-N -1 0 319.383 -0.329 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NC[C@]2(CCO)CCOC2)n1 ZINC000833276037 602366026 /nfs/dbraw/zinc/36/60/26/602366026.db2.gz LZJWNGXBHXESLT-ZDUSSCGKSA-N -1 0 312.326 -0.122 20 0 DBADRM CN(CC1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1)C(=O)[O-] ZINC000739652083 602370529 /nfs/dbraw/zinc/37/05/29/602370529.db2.gz RPFXKAAZMADQRC-UHFFFAOYSA-N -1 0 324.337 -0.203 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)NCCNS(C)(=O)=O ZINC000740009573 602372136 /nfs/dbraw/zinc/37/21/36/602372136.db2.gz AYLHJTDJPGCBMG-ZETCQYMHSA-N -1 0 313.401 -0.959 20 0 DBADRM Cn1cc(NC(=O)N2CCN3C(=O)NC[C@H]3C2)cc1C(=O)[O-] ZINC000833049942 602373014 /nfs/dbraw/zinc/37/30/14/602373014.db2.gz YHMIHQJUSRVXDS-VIFPVBQESA-N -1 0 307.310 -0.035 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000739316369 602373301 /nfs/dbraw/zinc/37/33/01/602373301.db2.gz UMWPPEKRXGXRMC-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000739995589 602376455 /nfs/dbraw/zinc/37/64/55/602376455.db2.gz OIRPGUABMLGGKX-SSDOTTSWSA-N -1 0 311.385 -0.905 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCNC(=O)[C@H]1CC(=O)OC ZINC000739307766 602386427 /nfs/dbraw/zinc/38/64/27/602386427.db2.gz AYUKGQFQHIAZPK-DTWKUNHWSA-N -1 0 315.326 -0.687 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)NCCCNC(=O)[O-])CC1 ZINC000739739487 602392827 /nfs/dbraw/zinc/39/28/27/602392827.db2.gz KDFBKBWEFDHFNS-UHFFFAOYSA-N -1 0 315.374 -0.846 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767207478 602394701 /nfs/dbraw/zinc/39/47/01/602394701.db2.gz VVYHVCJTDIHCON-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)N=c2nc[nH]n2C)c(C(=O)[O-])c1C ZINC000825936733 602398640 /nfs/dbraw/zinc/39/86/40/602398640.db2.gz LVQIZVFEXMEOSN-UHFFFAOYSA-N -1 0 305.294 -0.044 20 0 DBADRM O=C([O-])N1CC[C@H](CCNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC000740433642 602413852 /nfs/dbraw/zinc/41/38/52/602413852.db2.gz MJGKUJZKAJSDJM-UWVGGRQHSA-N -1 0 304.368 -0.073 20 0 DBADRM O=C(CC[C@H]1NC(=O)NC1=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000740352862 602416924 /nfs/dbraw/zinc/41/69/24/602416924.db2.gz DLOULHVQVWYQLJ-RKDXNWHRSA-N -1 0 312.326 -0.519 20 0 DBADRM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)CNC(=O)[O-] ZINC000736809482 602421712 /nfs/dbraw/zinc/42/17/12/602421712.db2.gz LIMJCSCFBGGMOG-RYUDHWBXSA-N -1 0 314.386 -0.883 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)NCCCNC(=O)[O-])CC1 ZINC000739464375 602422013 /nfs/dbraw/zinc/42/20/13/602422013.db2.gz XYUZLUDBKNTIAW-UHFFFAOYSA-N -1 0 315.374 -0.893 20 0 DBADRM C[C@@](CNC(=O)[O-])(NC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000738921192 602427502 /nfs/dbraw/zinc/42/75/02/602427502.db2.gz SGCMCVKTDUWNTQ-UFBFGSQYSA-N -1 0 304.368 -0.026 20 0 DBADRM CS(=O)(=O)CCNC(=S)NC1CCN(C(=O)[O-])CC1 ZINC000738126824 602430371 /nfs/dbraw/zinc/43/03/71/602430371.db2.gz LXWHMZCPEYFIBY-UHFFFAOYSA-N -1 0 309.413 -0.363 20 0 DBADRM CS(=O)(=O)CCNC(=S)N1CCC(CNC(=O)[O-])CC1 ZINC000739984078 602430499 /nfs/dbraw/zinc/43/04/99/602430499.db2.gz LIPFYZKWTWXRHO-UHFFFAOYSA-N -1 0 323.440 -0.115 20 0 DBADRM CCc1nc(CN2CCN(C(=O)CCNC(=O)[O-])CC2)no1 ZINC000737280999 602435272 /nfs/dbraw/zinc/43/52/72/602435272.db2.gz ZJIDDVQVGZVBJJ-UHFFFAOYSA-N -1 0 311.342 -0.066 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)CCCNC(=O)[O-])C1 ZINC000739192556 602438558 /nfs/dbraw/zinc/43/85/58/602438558.db2.gz LJGQZUSRLYTYHL-VIFPVBQESA-N -1 0 307.372 -0.439 20 0 DBADRM CCN(CCCNC(=O)NCCN(C)C(=O)[O-])S(C)(=O)=O ZINC000739419415 602440235 /nfs/dbraw/zinc/44/02/35/602440235.db2.gz FUMINBQPRQVIBC-UHFFFAOYSA-N -1 0 324.403 -0.433 20 0 DBADRM CN(CCNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000739694578 602440740 /nfs/dbraw/zinc/44/07/40/602440740.db2.gz OBBWUVXRZNNOHB-SECBINFHSA-N -1 0 322.387 -0.681 20 0 DBADRM CN(CCNC(=O)N1CCCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000739691510 602444023 /nfs/dbraw/zinc/44/40/23/602444023.db2.gz IONWTQCREWYZOX-UHFFFAOYSA-N -1 0 322.387 -0.727 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000738924644 602445896 /nfs/dbraw/zinc/44/58/96/602445896.db2.gz LCBCTUQEWQCZKN-SSJHQANKSA-N -1 0 324.337 -0.788 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000738925628 602449346 /nfs/dbraw/zinc/44/93/46/602449346.db2.gz BJMOOLJCZZHJSZ-MRVPVSSYSA-N -1 0 322.325 -0.756 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC000738454221 602457622 /nfs/dbraw/zinc/45/76/22/602457622.db2.gz RPZNGBSOLMOCNI-QMMMGPOBSA-N -1 0 319.325 -0.333 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=S)NCCN1CCOCC1 ZINC000738939662 602458379 /nfs/dbraw/zinc/45/83/79/602458379.db2.gz OETYXGDDBRSWHQ-SNVBAGLBSA-N -1 0 304.416 -0.219 20 0 DBADRM COCCCN(C(=O)[C@H](C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739810268 602464175 /nfs/dbraw/zinc/46/41/75/602464175.db2.gz JXBOOJAETLBBOV-VHSXEESVSA-N -1 0 322.383 -0.305 20 0 DBADRM COCCCN(C(=O)CNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739810032 602464187 /nfs/dbraw/zinc/46/41/87/602464187.db2.gz HIDSLOZFDHRHHE-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000739072172 602469668 /nfs/dbraw/zinc/46/96/68/602469668.db2.gz BAXHNECWERQFNF-OTYXRUKQSA-N -1 0 324.337 -0.425 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739983702 602471218 /nfs/dbraw/zinc/47/12/18/602471218.db2.gz DEBXSZPURXRHQC-JTQLQIEISA-N -1 0 319.383 -0.474 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCCN(C)C(=O)[O-] ZINC000740034717 602472339 /nfs/dbraw/zinc/47/23/39/602472339.db2.gz ZSVPKOJGMVBFCQ-UHFFFAOYSA-N -1 0 307.310 -0.400 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)CN2CSCC2=O)C1)C(=O)[O-] ZINC000739643166 602480103 /nfs/dbraw/zinc/48/01/03/602480103.db2.gz CMPCEWZYVGRILP-VIFPVBQESA-N -1 0 301.368 -0.022 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1)C(=O)[O-] ZINC000739645701 602480391 /nfs/dbraw/zinc/48/03/91/602480391.db2.gz WXCBZJNOPWNIEU-JTQLQIEISA-N -1 0 311.338 -0.016 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1)C(=O)[O-] ZINC000739652867 602480934 /nfs/dbraw/zinc/48/09/34/602480934.db2.gz XGTXSQRJGDEWRU-VIFPVBQESA-N -1 0 310.310 -0.593 20 0 DBADRM CCNC(=O)CCC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739462692 602493029 /nfs/dbraw/zinc/49/30/29/602493029.db2.gz QBVDXEQJGKVTAJ-UHFFFAOYSA-N -1 0 314.386 -0.295 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739209764 602495830 /nfs/dbraw/zinc/49/58/30/602495830.db2.gz AUHLMKDJBGKQCC-NSHDSACASA-N -1 0 314.386 -0.345 20 0 DBADRM CN(CCCC(=O)N1CCC(CS(N)(=O)=O)CC1)C(=O)[O-] ZINC000737418018 602496211 /nfs/dbraw/zinc/49/62/11/602496211.db2.gz LRFZFLOQICBYAO-UHFFFAOYSA-N -1 0 321.399 -0.097 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000739306390 602496570 /nfs/dbraw/zinc/49/65/70/602496570.db2.gz LUNCPSOHDKNIRE-JTQLQIEISA-N -1 0 321.399 -0.050 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1ccc(=O)n(C)c1 ZINC000739689211 602496861 /nfs/dbraw/zinc/49/68/61/602496861.db2.gz XCDBXKPLEVVJHI-UHFFFAOYSA-N -1 0 322.365 -0.247 20 0 DBADRM Cc1cnn(CC(=O)N(C)CCN2CCN(C(=O)[O-])CC2)c1 ZINC000740196690 602498300 /nfs/dbraw/zinc/49/83/00/602498300.db2.gz ALARTCOURYMRNR-UHFFFAOYSA-N -1 0 309.370 -0.054 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000736359700 602501029 /nfs/dbraw/zinc/50/10/29/602501029.db2.gz AQPPREZHXPTSSC-ZJUUUORDSA-N -1 0 321.399 -0.194 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000736359698 602501035 /nfs/dbraw/zinc/50/10/35/602501035.db2.gz AQPPREZHXPTSSC-UWVGGRQHSA-N -1 0 321.399 -0.194 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000738858155 602507867 /nfs/dbraw/zinc/50/78/67/602507867.db2.gz CFIMETVKQPAKOW-JTQLQIEISA-N -1 0 321.399 -0.037 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@H]2CCCCN2C(=O)[O-])CCO1 ZINC000739757478 602513057 /nfs/dbraw/zinc/51/30/57/602513057.db2.gz XVZSEJQOILBGPU-NXEZZACHSA-N -1 0 300.311 -0.081 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)[C@H]2CCCN2C(=O)[O-])CC1 ZINC000739750127 602517927 /nfs/dbraw/zinc/51/79/27/602517927.db2.gz LUJQPAIPGVTKDZ-SNVBAGLBSA-N -1 0 319.383 -0.331 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000738854628 602524212 /nfs/dbraw/zinc/52/42/12/602524212.db2.gz FGQBHZUOBSEHFQ-JTQLQIEISA-N -1 0 302.375 -0.443 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000738927590 602525666 /nfs/dbraw/zinc/52/56/66/602525666.db2.gz SHDGHOXPQQXYQG-QMMMGPOBSA-N -1 0 322.387 -0.984 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)CCC(=O)N1CCOCC1 ZINC000738928579 602526354 /nfs/dbraw/zinc/52/63/54/602526354.db2.gz VZJWCJIUGNJQAI-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000738809462 602531208 /nfs/dbraw/zinc/53/12/08/602531208.db2.gz NZMZISMOQIFFJT-MRVPVSSYSA-N -1 0 312.326 -0.102 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)CN1C(=O)CN(C)C1=O ZINC000738802687 602531630 /nfs/dbraw/zinc/53/16/30/602531630.db2.gz BYZGTICHXJSKMF-SECBINFHSA-N -1 0 314.342 -0.321 20 0 DBADRM O=C(CNC(=O)NCc1ccco1)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740377441 602535387 /nfs/dbraw/zinc/53/53/87/602535387.db2.gz JSQDEXFRGHMWCE-SECBINFHSA-N -1 0 310.310 -0.053 20 0 DBADRM COCCn1nc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)ccc1=O ZINC000739843527 602536345 /nfs/dbraw/zinc/53/63/45/602536345.db2.gz UWMWSCUYSVHGAW-VIFPVBQESA-N -1 0 310.310 -0.628 20 0 DBADRM CCN(CCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000739434231 602552480 /nfs/dbraw/zinc/55/24/80/602552480.db2.gz OBMAOOPFJZTUDB-AOOOYVTPSA-N -1 0 309.388 -0.070 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000739761166 602552724 /nfs/dbraw/zinc/55/27/24/602552724.db2.gz LGXHSNUGTZJWPB-MRVPVSSYSA-N -1 0 302.283 -0.649 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000739459768 602554325 /nfs/dbraw/zinc/55/43/25/602554325.db2.gz JPEMOVUEARQWCS-MRVPVSSYSA-N -1 0 301.299 -0.092 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000739459770 602557090 /nfs/dbraw/zinc/55/70/90/602557090.db2.gz JPEMOVUEARQWCS-QMMMGPOBSA-N -1 0 301.299 -0.092 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN(C)[C@@H](C)CNC(=O)[O-] ZINC000739809043 602558432 /nfs/dbraw/zinc/55/84/32/602558432.db2.gz XLRNOQXBWOZUDT-BDAKNGLRSA-N -1 0 304.347 -0.565 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN(C)[C@@H](C)CNC(=O)[O-] ZINC000739809269 602558463 /nfs/dbraw/zinc/55/84/63/602558463.db2.gz XLRNOQXBWOZUDT-IUCAKERBSA-N -1 0 304.347 -0.565 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NCC[C@H](C)NC(=O)[O-] ZINC000739516245 602558620 /nfs/dbraw/zinc/55/86/20/602558620.db2.gz RONRVQDFEQEZQZ-QMMMGPOBSA-N -1 0 310.376 -0.729 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NCC[C@@H](C)NC(=O)[O-] ZINC000739516244 602558666 /nfs/dbraw/zinc/55/86/66/602558666.db2.gz RONRVQDFEQEZQZ-MRVPVSSYSA-N -1 0 310.376 -0.729 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000739812584 602563256 /nfs/dbraw/zinc/56/32/56/602563256.db2.gz IHUDEIVDVOHBRU-JTQLQIEISA-N -1 0 309.388 -0.211 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1)C(=O)[O-] ZINC000737387558 602571685 /nfs/dbraw/zinc/57/16/85/602571685.db2.gz DEXJZZFUBGISTN-UHFFFAOYSA-N -1 0 322.321 -0.319 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1)C(=O)[O-] ZINC000739644881 602575062 /nfs/dbraw/zinc/57/50/62/602575062.db2.gz QZQWTIBFBDKJPH-JTQLQIEISA-N -1 0 324.337 -0.615 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1nccnc1N ZINC000739685796 602576432 /nfs/dbraw/zinc/57/64/32/602576432.db2.gz ZGWGLOPPWUNSQK-UHFFFAOYSA-N -1 0 308.342 -0.574 20 0 DBADRM CC(C)(CNC(=O)N[C@@H]1CCN(C(=O)[O-])C1)NS(C)(=O)=O ZINC000738751451 602578494 /nfs/dbraw/zinc/57/84/94/602578494.db2.gz WIPHJLJALYBIFX-MRVPVSSYSA-N -1 0 322.387 -0.634 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NCC(=O)NCC(F)(F)F)C1 ZINC000740376025 602578847 /nfs/dbraw/zinc/57/88/47/602578847.db2.gz DOASBMOHYCMVNQ-LURJTMIESA-N -1 0 312.248 -0.284 20 0 DBADRM NC(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000740331150 602582630 /nfs/dbraw/zinc/58/26/30/602582630.db2.gz FSYITVCQWNSLMD-VHSXEESVSA-N -1 0 313.358 -0.171 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000740632198 602589556 /nfs/dbraw/zinc/58/95/56/602589556.db2.gz IDLJWRCFACRUAG-VIFPVBQESA-N -1 0 312.326 -0.566 20 0 DBADRM COCCS(=O)(=O)CC(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000739838911 602589702 /nfs/dbraw/zinc/58/97/02/602589702.db2.gz RXOHHLKSOSITPI-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM Cn1nnnc1SCCC(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000740304514 602589786 /nfs/dbraw/zinc/58/97/86/602589786.db2.gz WAUQWORVTRULGD-QMMMGPOBSA-N -1 0 314.371 -0.049 20 0 DBADRM Cn1nnnc1N1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000740305788 602591097 /nfs/dbraw/zinc/59/10/97/602591097.db2.gz XVUCGDLHPGWVMJ-SNVBAGLBSA-N -1 0 323.357 -0.751 20 0 DBADRM O=C([O-])NCc1cccc(NC(=O)CN2CC(=O)NC2=O)c1 ZINC000740676540 602593656 /nfs/dbraw/zinc/59/36/56/602593656.db2.gz QMOUPAURWZHPCC-UHFFFAOYSA-N -1 0 306.278 -0.056 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000740368313 602607952 /nfs/dbraw/zinc/60/79/52/602607952.db2.gz SYKITSXSHXJQCP-SECBINFHSA-N -1 0 310.310 -0.815 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000740416311 602611381 /nfs/dbraw/zinc/61/13/81/602611381.db2.gz IIKZNAUXMNXCBJ-IUCAKERBSA-N -1 0 305.356 -0.385 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CCO1 ZINC000739757365 602614846 /nfs/dbraw/zinc/61/48/46/602614846.db2.gz XGQWNYHLNRQENU-UWVGGRQHSA-N -1 0 315.326 -0.288 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000738912293 602615441 /nfs/dbraw/zinc/61/54/41/602615441.db2.gz PEATXDYQBUHLJS-MNOVXSKESA-N -1 0 300.359 -0.241 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCc1cc[nH]n1 ZINC000739682697 602619851 /nfs/dbraw/zinc/61/98/51/602619851.db2.gz DBIVYOIVGUORCL-UHFFFAOYSA-N -1 0 310.358 -0.153 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739991143 602633958 /nfs/dbraw/zinc/63/39/58/602633958.db2.gz KPBZKADYOJSRPB-SECBINFHSA-N -1 0 320.371 -0.975 20 0 DBADRM COC(=O)N1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739777544 602634693 /nfs/dbraw/zinc/63/46/93/602634693.db2.gz VTIXPTDWIXGEGO-SECBINFHSA-N -1 0 300.315 -0.168 20 0 DBADRM COCCN1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739835593 602635313 /nfs/dbraw/zinc/63/53/13/602635313.db2.gz VDBCTQPTKZGBFF-NSHDSACASA-N -1 0 300.359 -0.288 20 0 DBADRM CCN(CCNC(=O)N1CCO[C@@H](C(=O)OC)C1)C(=O)[O-] ZINC000739428592 602636758 /nfs/dbraw/zinc/63/67/58/602636758.db2.gz CYCCCCQXNBTMQU-SECBINFHSA-N -1 0 303.315 -0.430 20 0 DBADRM CN(C[C@H]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)C1)C(=O)[O-] ZINC000739740998 602637444 /nfs/dbraw/zinc/63/74/44/602637444.db2.gz BTLXKBXJUOINRU-VXGBXAGGSA-N -1 0 314.386 -0.042 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000736371043 602639420 /nfs/dbraw/zinc/63/94/20/602639420.db2.gz YIMVGRMFDPIEQC-VIFPVBQESA-N -1 0 300.315 -0.663 20 0 DBADRM CCNC(=O)N1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000739458256 602658460 /nfs/dbraw/zinc/65/84/60/602658460.db2.gz CXPVOZWPAYPSOO-UHFFFAOYSA-N -1 0 302.331 -0.856 20 0 DBADRM O=C([O-])NCCOCC(=O)Nc1ccc(-n2cncn2)nc1 ZINC000740668284 602659973 /nfs/dbraw/zinc/65/99/73/602659973.db2.gz OOBLUCGVRUKDEI-UHFFFAOYSA-N -1 0 306.282 -0.115 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000740663067 602661175 /nfs/dbraw/zinc/66/11/75/602661175.db2.gz DDJNYGGPMGWCDN-UHFFFAOYSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])NCCOCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000740666115 602661833 /nfs/dbraw/zinc/66/18/33/602661833.db2.gz AJSXRYARAGWXPN-LLVKDONJSA-N -1 0 323.353 -0.154 20 0 DBADRM O=C([O-])NCCOCC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000740666116 602661836 /nfs/dbraw/zinc/66/18/36/602661836.db2.gz AJSXRYARAGWXPN-NSHDSACASA-N -1 0 323.353 -0.154 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(N)=NOCC(=O)N1CCOCC1 ZINC000738912739 602671174 /nfs/dbraw/zinc/67/11/74/602671174.db2.gz WFODEBVHCILQIF-VIFPVBQESA-N -1 0 302.331 -0.410 20 0 DBADRM CN(CCCNC(=O)NCCN1C(=O)CSC1=O)C(=O)[O-] ZINC000739673871 602673151 /nfs/dbraw/zinc/67/31/51/602673151.db2.gz RYUYASKQCDVZPR-UHFFFAOYSA-N -1 0 318.355 -0.019 20 0 DBADRM COCCN(C(=O)CN(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737765836 602675042 /nfs/dbraw/zinc/67/50/42/602675042.db2.gz VQEIYIVEUHFGEO-SECBINFHSA-N -1 0 308.356 -0.742 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@H]2CCCOC2)CC1 ZINC000740403494 602680243 /nfs/dbraw/zinc/68/02/43/602680243.db2.gz CCTHDUXJWOFCME-JTQLQIEISA-N -1 0 314.342 -0.713 20 0 DBADRM CC[C@@H](O)CN1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC000739262742 602682939 /nfs/dbraw/zinc/68/29/39/602682939.db2.gz BLRGFPGMXUDAIB-MNOVXSKESA-N -1 0 317.411 -0.046 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)O[C@@H]1CCN(C(=O)[O-])C1 ZINC000739990583 602684006 /nfs/dbraw/zinc/68/40/06/602684006.db2.gz HSLIPFDPCZNFKO-RKDXNWHRSA-N -1 0 306.340 -0.294 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000739288767 602689830 /nfs/dbraw/zinc/68/98/30/602689830.db2.gz GZEOCETXZAKAFD-KCJUWKMLSA-N -1 0 307.372 -0.298 20 0 DBADRM O=C([O-])N1CC[C@H](CCNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000740425530 602690687 /nfs/dbraw/zinc/69/06/87/602690687.db2.gz GJHOVTXKYWMBMW-UWVGGRQHSA-N -1 0 319.383 -0.137 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000740283855 602693469 /nfs/dbraw/zinc/69/34/69/602693469.db2.gz QDVXXKXIQNWJPA-ZCFIWIBFSA-N -1 0 317.396 -0.185 20 0 DBADRM Cc1c(C(=O)NCC(N)=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740038916 602696972 /nfs/dbraw/zinc/69/69/72/602696972.db2.gz BCRWOLKBDGWAPX-UHFFFAOYSA-N -1 0 310.314 -0.883 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739758790 602701699 /nfs/dbraw/zinc/70/16/99/602701699.db2.gz GCNICYUSUFBHCR-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=S)NCCNS(C)(=O)=O ZINC000739162009 602713080 /nfs/dbraw/zinc/71/30/80/602713080.db2.gz RVEGIBPMDKZUBT-MRVPVSSYSA-N -1 0 324.428 -0.906 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000740329726 602721446 /nfs/dbraw/zinc/72/14/46/602721446.db2.gz ZCRWLCJCZOCWDH-ZJUUUORDSA-N -1 0 314.342 -0.728 20 0 DBADRM CN(C)C(=O)CNC(=S)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000739597323 602725568 /nfs/dbraw/zinc/72/55/68/602725568.db2.gz QOJULMOQNQIIRO-VIFPVBQESA-N -1 0 302.400 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1CC(=O)NCC(=O)NC(C)(C)C ZINC000739161057 602738959 /nfs/dbraw/zinc/73/89/59/602738959.db2.gz NLQWIAANKJBENW-JTQLQIEISA-N -1 0 314.386 -0.299 20 0 DBADRM O=C([O-])NCCNC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000740663360 602749373 /nfs/dbraw/zinc/74/93/73/602749373.db2.gz OANVOXOGISJMJI-UHFFFAOYSA-N -1 0 322.387 -0.727 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000739155039 602749744 /nfs/dbraw/zinc/74/97/44/602749744.db2.gz RLQBMOVTHYSQDA-WDEREUQCSA-N -1 0 300.359 -0.289 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2ccc(NC(=O)[O-])nc2)C1=O ZINC000739725731 602751007 /nfs/dbraw/zinc/75/10/07/602751007.db2.gz AORIYZUVOCJTAI-UHFFFAOYSA-N -1 0 321.249 -0.469 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CCN(C(=O)[O-])C[C@H]2C)CC1 ZINC000738525441 602751270 /nfs/dbraw/zinc/75/12/70/602751270.db2.gz UOAGVRBLZBSHJJ-LLVKDONJSA-N -1 0 312.370 -0.639 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000739155119 602753103 /nfs/dbraw/zinc/75/31/03/602753103.db2.gz SARPATBFFXEAGB-RKDXNWHRSA-N -1 0 305.356 -0.433 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC000740620072 602762655 /nfs/dbraw/zinc/76/26/55/602762655.db2.gz GNJZHRPMNQZBAR-VHSXEESVSA-N -1 0 319.383 -0.426 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)CN(CC1CC1)C(=O)[O-] ZINC000824381615 602763956 /nfs/dbraw/zinc/76/39/56/602763956.db2.gz HSPDWFMDORQOMR-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)[C@H](CNC(=O)c1ccc(S(N)(=O)=O)o1)NC(=O)[O-] ZINC000738788944 602773945 /nfs/dbraw/zinc/77/39/45/602773945.db2.gz HZVZOHDMDLCFAD-ZETCQYMHSA-N -1 0 319.339 -0.051 20 0 DBADRM C[C@H]1CN(Cc2nc(N)nc(N(C)C)n2)CC[C@@H]1NC(=O)[O-] ZINC000739189817 602775511 /nfs/dbraw/zinc/77/55/11/602775511.db2.gz NEDLCYRHBWZFCJ-IUCAKERBSA-N -1 0 309.374 -0.002 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000827475590 602777121 /nfs/dbraw/zinc/77/71/21/602777121.db2.gz LIDNOGVQUSQOAG-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CC[C@@H](CNC(=O)[O-])C2)S1 ZINC000831238899 602803834 /nfs/dbraw/zinc/80/38/34/602803834.db2.gz ASMFOHQBOPKRDW-BQBZGAKWSA-N -1 0 300.340 -0.341 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H](C)N1C(=O)[O-] ZINC000739134954 602804843 /nfs/dbraw/zinc/80/48/43/602804843.db2.gz NGXJYJUODARBGB-RKDXNWHRSA-N -1 0 310.310 -0.452 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCCN1C(=O)CCC1=O)NC(=O)[O-] ZINC000738781075 602805243 /nfs/dbraw/zinc/80/52/43/602805243.db2.gz ISQWHPSACIYLCO-SECBINFHSA-N -1 0 314.342 -0.273 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])n1 ZINC000739750801 602813804 /nfs/dbraw/zinc/81/38/04/602813804.db2.gz YABORJCQZJFCFW-SFYZADRCSA-N -1 0 310.314 -0.601 20 0 DBADRM CCN(CC(=O)OCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC000739407572 602818092 /nfs/dbraw/zinc/81/80/92/602818092.db2.gz ZUQMOSVJSYOOHP-UHFFFAOYSA-N -1 0 301.299 -0.140 20 0 DBADRM CC(C)N(CC(N)=O)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000738838305 602825503 /nfs/dbraw/zinc/82/55/03/602825503.db2.gz YDPYVDOMVGXPLT-JTQLQIEISA-N -1 0 301.343 -0.132 20 0 DBADRM CCCNC(=O)CNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739366078 602828829 /nfs/dbraw/zinc/82/88/29/602828829.db2.gz KMMUSDFTSRLHPO-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM O=C(CNC(=O)[C@H]1COCCN1C(=O)[O-])NCc1ccco1 ZINC000740377958 602829795 /nfs/dbraw/zinc/82/97/95/602829795.db2.gz LZPCPYGGSWMNCD-SNVBAGLBSA-N -1 0 311.294 -0.609 20 0 DBADRM CN(CC(=O)NC(C)(C)C)C(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739621954 602830388 /nfs/dbraw/zinc/83/03/88/602830388.db2.gz PTWAZECRACZADK-SECBINFHSA-N -1 0 301.343 -0.262 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000740469851 602833375 /nfs/dbraw/zinc/83/33/75/602833375.db2.gz MUFYHETYIQKPFO-NSHDSACASA-N -1 0 318.293 -0.020 20 0 DBADRM NC(=O)c1cccc(CNC(=O)[C@@H]2COCCN2C(=O)[O-])c1 ZINC000740335349 602841057 /nfs/dbraw/zinc/84/10/57/602841057.db2.gz OAZVPDZCQUPZNV-NSHDSACASA-N -1 0 307.306 -0.220 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CCO[C@@H](C(N)=O)C1)NC(=O)[O-] ZINC000738783514 602842046 /nfs/dbraw/zinc/84/20/46/602842046.db2.gz HHXUERYLHAPSPG-DTWKUNHWSA-N -1 0 302.331 -0.826 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000738798077 602843537 /nfs/dbraw/zinc/84/35/37/602843537.db2.gz RYJOAZQJQAAEAQ-BDAKNGLRSA-N -1 0 307.372 -0.571 20 0 DBADRM O=C(CNC(=O)[C@@H]1COCCN1C(=O)[O-])NCc1ccccc1 ZINC000740378548 602845886 /nfs/dbraw/zinc/84/58/86/602845886.db2.gz NYSXMWAOPAOXQX-LBPRGKRZSA-N -1 0 321.333 -0.202 20 0 DBADRM CCN(CCNC(=O)[C@H](NS(C)(=O)=O)C(C)C)C(=O)[O-] ZINC000739425636 602847947 /nfs/dbraw/zinc/84/79/47/602847947.db2.gz XUPIRFTZTUPXSR-SECBINFHSA-N -1 0 309.388 -0.324 20 0 DBADRM NC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000740333786 602850740 /nfs/dbraw/zinc/85/07/40/602850740.db2.gz WCWFVFBLMGZJPG-VHSXEESVSA-N -1 0 314.342 -0.728 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000738946767 602851276 /nfs/dbraw/zinc/85/12/76/602851276.db2.gz UANCPJXQISEVHR-GHMZBOCLSA-N -1 0 311.342 -0.058 20 0 DBADRM COC1(C(=O)N[C@@H]2CCC(=O)N(C)C2)CCN(C(=O)[O-])CC1 ZINC000739800769 602851284 /nfs/dbraw/zinc/85/12/84/602851284.db2.gz YKEVYVKNQRDVAT-SNVBAGLBSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000740457924 602854052 /nfs/dbraw/zinc/85/40/52/602854052.db2.gz CHMBOZBPVNSYQR-SNVBAGLBSA-N -1 0 318.293 -0.020 20 0 DBADRM COCCCN(CCOC)C(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739810364 602858617 /nfs/dbraw/zinc/85/86/17/602858617.db2.gz LQQPNXXFDIALHH-NSHDSACASA-N -1 0 304.343 -0.123 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)Oc1cccc(C(=O)NCC(N)=O)c1 ZINC000738999850 602867295 /nfs/dbraw/zinc/86/72/95/602867295.db2.gz XYRPMDNINYUQGF-ZETCQYMHSA-N -1 0 309.278 -0.537 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)Oc1ccc(C(=O)NCC(N)=O)cc1 ZINC000738992849 602867617 /nfs/dbraw/zinc/86/76/17/602867617.db2.gz BMJZOMIFFATTPW-ZETCQYMHSA-N -1 0 309.278 -0.537 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000739684239 602867693 /nfs/dbraw/zinc/86/76/93/602867693.db2.gz JSLBMXQQUNTCDB-NSHDSACASA-N -1 0 305.400 -0.599 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739739820 602877247 /nfs/dbraw/zinc/87/72/47/602877247.db2.gz VUNHUWRFSOTOQZ-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM Cc1nnc2n1C[C@@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])CC2 ZINC000740250610 602877295 /nfs/dbraw/zinc/87/72/95/602877295.db2.gz CSWHRIQLETWGPY-UWVGGRQHSA-N -1 0 309.326 -0.604 20 0 DBADRM NC(=O)c1cccc(CCNC(=O)[C@@H]2COCCN2C(=O)[O-])c1 ZINC000740337624 602881855 /nfs/dbraw/zinc/88/18/55/602881855.db2.gz SCRRWIYLXTZLIC-LBPRGKRZSA-N -1 0 321.333 -0.177 20 0 DBADRM Cc1cc(CNC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)[nH]n1 ZINC000740074255 602882392 /nfs/dbraw/zinc/88/23/92/602882392.db2.gz WEHRCSJBKBVRNM-UHFFFAOYSA-N -1 0 324.341 -0.660 20 0 DBADRM C[C@@H](CCNC(=O)N1CCS(=O)(=O)[C@@H](C)C1)NC(=O)[O-] ZINC000738899450 602883009 /nfs/dbraw/zinc/88/30/09/602883009.db2.gz DCVRSIDHWYHSKB-IUCAKERBSA-N -1 0 307.372 -0.139 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NCCN(C(=O)[O-])C1CC1 ZINC000738757186 602883788 /nfs/dbraw/zinc/88/37/88/602883788.db2.gz BNKIWQWZJFGNOF-UHFFFAOYSA-N -1 0 307.372 -0.427 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)[C@@H]2COCCN2C(=O)[O-])n1 ZINC000739767836 602883851 /nfs/dbraw/zinc/88/38/51/602883851.db2.gz ALKVZCKUZYLOST-QMMMGPOBSA-N -1 0 312.282 -0.627 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CCS1(=O)=O ZINC000739136188 602884251 /nfs/dbraw/zinc/88/42/51/602884251.db2.gz QKBRSACSXFEBLV-BDAKNGLRSA-N -1 0 305.356 -0.433 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CCS1(=O)=O ZINC000736810195 602885980 /nfs/dbraw/zinc/88/59/80/602885980.db2.gz JNUABQHTNLWRBF-ZJUUUORDSA-N -1 0 319.383 -0.043 20 0 DBADRM N=C1NC(=O)C(CC(=O)NC[C@@H]2CCCN2C(=O)[O-])S1 ZINC000831240060 602887933 /nfs/dbraw/zinc/88/79/33/602887933.db2.gz LXQGDMCFFOSJPK-NKWVEPMBSA-N -1 0 300.340 -0.199 20 0 DBADRM C[C@H]([C@H](C)NC(=O)[C@H]1COCCN1C(=O)[O-])N1CCOCC1 ZINC000738957263 602889976 /nfs/dbraw/zinc/88/99/76/602889976.db2.gz IFFXXPPRMWVXPR-QJPTWQEYSA-N -1 0 315.370 -0.409 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739458003 602893821 /nfs/dbraw/zinc/89/38/21/602893821.db2.gz AELIOMYAASCOCU-SFYZADRCSA-N -1 0 301.299 -0.236 20 0 DBADRM O=C(COC(=O)[C@H]1CCN(C(=O)[O-])C1)NC[C@H]1CCCO1 ZINC000740377700 602896973 /nfs/dbraw/zinc/89/69/73/602896973.db2.gz MGUHSKNZORRWFC-VHSXEESVSA-N -1 0 300.311 -0.175 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)NC(=O)NC1CC1 ZINC000739045469 602897469 /nfs/dbraw/zinc/89/74/69/602897469.db2.gz WJUKQIBGFGQXED-HTQZYQBOSA-N -1 0 313.310 -0.094 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCOC[C@@H]1CCOC1 ZINC000740445210 602899045 /nfs/dbraw/zinc/89/90/45/602899045.db2.gz XBOULYQSECLTMJ-MNOVXSKESA-N -1 0 302.327 -0.466 20 0 DBADRM CC(C)(CNC(=O)C[C@H]1CCCN1C(=O)[O-])NS(C)(=O)=O ZINC000823908410 602899776 /nfs/dbraw/zinc/89/97/76/602899776.db2.gz UTEVOIXXODSEAX-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM CCOCCN1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739486736 602899853 /nfs/dbraw/zinc/89/98/53/602899853.db2.gz HQYXPBCVIPIRFC-LBPRGKRZSA-N -1 0 315.370 -0.454 20 0 DBADRM O=C([O-])N(CC(=O)N[C@@H]1CCc2ncnn2C1)C[C@H]1CCCO1 ZINC000740368535 602903989 /nfs/dbraw/zinc/90/39/89/602903989.db2.gz YHLCLMGPYWWBMJ-GHMZBOCLSA-N -1 0 323.353 -0.132 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000738725619 602904150 /nfs/dbraw/zinc/90/41/50/602904150.db2.gz OATHSOQVTTUJMJ-SECBINFHSA-N -1 0 322.383 -0.305 20 0 DBADRM O=C([O-])N(CC(=O)N[C@H]1CCc2ncnn2C1)C[C@@H]1CCCO1 ZINC000740368537 602904327 /nfs/dbraw/zinc/90/43/27/602904327.db2.gz YHLCLMGPYWWBMJ-QWRGUYRKSA-N -1 0 323.353 -0.132 20 0 DBADRM O=C([O-])N(CC(=O)N[C@H]1CCc2ncnn2C1)C[C@H]1CCCO1 ZINC000740368538 602904376 /nfs/dbraw/zinc/90/43/76/602904376.db2.gz YHLCLMGPYWWBMJ-WDEREUQCSA-N -1 0 323.353 -0.132 20 0 DBADRM C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@@H](C)N1C(=O)[O-] ZINC000739116879 602905063 /nfs/dbraw/zinc/90/50/63/602905063.db2.gz AVVCXNDTPWAYRI-RKDXNWHRSA-N -1 0 321.399 -0.087 20 0 DBADRM COC(=O)CCSCCNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739763888 602906895 /nfs/dbraw/zinc/90/68/95/602906895.db2.gz ZIGZCFBGDIJWCW-SECBINFHSA-N -1 0 320.367 -0.222 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(C)(C)NS(C)(=O)=O)NC(=O)[O-] ZINC000738775289 602909026 /nfs/dbraw/zinc/90/90/26/602909026.db2.gz PPYXFZXWNNTAPD-MRVPVSSYSA-N -1 0 309.388 -0.277 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)c1cn(CC(N)=O)nn1 ZINC000824204242 602909605 /nfs/dbraw/zinc/90/96/05/602909605.db2.gz PMLCQDGFOTWHRB-QMMMGPOBSA-N -1 0 312.330 -0.825 20 0 DBADRM C[C@H](CNC(=O)NCCCNC(=O)[O-])CN1CCOCC1 ZINC000738921442 602912715 /nfs/dbraw/zinc/91/27/15/602912715.db2.gz USIQIJYCARNGRU-LLVKDONJSA-N -1 0 302.375 -0.088 20 0 DBADRM COCCN1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])C[C@H]1C ZINC000739835502 602912977 /nfs/dbraw/zinc/91/29/77/602912977.db2.gz UPKFCSYMRYJZMA-VXGBXAGGSA-N -1 0 315.370 -0.456 20 0 DBADRM O=C([O-])N1CCC[C@H](C(=O)OCCCN2C(=O)CNC2=O)C1 ZINC000738713032 602913044 /nfs/dbraw/zinc/91/30/44/602913044.db2.gz OVLHALZHHGRFNW-VIFPVBQESA-N -1 0 313.310 -0.139 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1COCCN1C(=O)[O-])CN1CCOCC1 ZINC000738914609 602913563 /nfs/dbraw/zinc/91/35/63/602913563.db2.gz LOCSFHDSVYPFAY-NWDGAFQWSA-N -1 0 315.370 -0.550 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2COCCN2C(=O)[O-])CCS1(=O)=O ZINC000739129505 602913807 /nfs/dbraw/zinc/91/38/07/602913807.db2.gz UJSDRXADVHHIAF-DTWKUNHWSA-N -1 0 306.340 -0.989 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000740475459 602916145 /nfs/dbraw/zinc/91/61/45/602916145.db2.gz LCTUBDIERMRNSG-JTQLQIEISA-N -1 0 318.293 -0.020 20 0 DBADRM C[C@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739120915 602916779 /nfs/dbraw/zinc/91/67/79/602916779.db2.gz LKKKDFIPXFBRCZ-IUCAKERBSA-N -1 0 321.399 -0.181 20 0 DBADRM C[C@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739120914 602916827 /nfs/dbraw/zinc/91/68/27/602916827.db2.gz LKKKDFIPXFBRCZ-DTWKUNHWSA-N -1 0 321.399 -0.181 20 0 DBADRM C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739120916 602916862 /nfs/dbraw/zinc/91/68/62/602916862.db2.gz LKKKDFIPXFBRCZ-RKDXNWHRSA-N -1 0 321.399 -0.181 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739662628 602917319 /nfs/dbraw/zinc/91/73/19/602917319.db2.gz BQTGTOVDDSTCHC-ZJUUUORDSA-N -1 0 320.367 -0.742 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739662625 602917345 /nfs/dbraw/zinc/91/73/45/602917345.db2.gz BQTGTOVDDSTCHC-NXEZZACHSA-N -1 0 320.367 -0.742 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCCOC[C@@H]1CCOC1 ZINC000740429273 602917900 /nfs/dbraw/zinc/91/79/00/602917900.db2.gz DQWAZRCTYOFBDN-RYUDHWBXSA-N -1 0 316.354 -0.075 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)CCN1C(=O)[O-] ZINC000739169606 602921217 /nfs/dbraw/zinc/92/12/17/602921217.db2.gz SKRDLSUKURUFIW-SECBINFHSA-N -1 0 324.341 -0.809 20 0 DBADRM COCCS(=O)(=O)CC(=O)OC[C@H]1CCCN1C(=O)[O-] ZINC000739836864 602922324 /nfs/dbraw/zinc/92/23/24/602922324.db2.gz FBVKGVWINYYBON-SECBINFHSA-N -1 0 309.340 -0.267 20 0 DBADRM O=C(CN1CCS(=O)(=O)CC1)OC[C@H]1CCCN1C(=O)[O-] ZINC000740372389 602922885 /nfs/dbraw/zinc/92/28/85/602922885.db2.gz CLTXVZCTYFWGEO-SNVBAGLBSA-N -1 0 320.367 -0.598 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000831247222 602924841 /nfs/dbraw/zinc/92/48/41/602924841.db2.gz XHOCOQRXJPWUSB-UWVGGRQHSA-N -1 0 319.383 -0.202 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000831247221 602924903 /nfs/dbraw/zinc/92/49/03/602924903.db2.gz XHOCOQRXJPWUSB-NXEZZACHSA-N -1 0 319.383 -0.202 20 0 DBADRM O=C([O-])N1CCC[C@H]1COC(=O)Cn1ncn2nccc2c1=O ZINC000740390600 602933411 /nfs/dbraw/zinc/93/34/11/602933411.db2.gz MEWUJFFLUJMRPT-VIFPVBQESA-N -1 0 321.293 -0.423 20 0 DBADRM C[C@H]1CN(C(=O)CCC(=O)N2CCOCC2)CCN1C(=O)[O-] ZINC000739131947 602934290 /nfs/dbraw/zinc/93/42/90/602934290.db2.gz RWAVVPNJOKIQDM-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM C[C@H](O)C[C@H](C)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739037200 602935657 /nfs/dbraw/zinc/93/56/57/602935657.db2.gz LQLCTURYRAAPJI-RYUDHWBXSA-N -1 0 316.402 -0.012 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CCN1C(=O)[O-] ZINC000739124442 602942529 /nfs/dbraw/zinc/94/25/29/602942529.db2.gz HGQGZGCQMVCQQZ-ZJUUUORDSA-N -1 0 319.383 -0.379 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C[C@H]2CCCN2C(=O)[O-])C1 ZINC000829688067 602954924 /nfs/dbraw/zinc/95/49/24/602954924.db2.gz PCUOHRYWQAOREJ-VHSXEESVSA-N -1 0 319.383 -0.331 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCS(=O)(=O)C2)C[C@@H](C)N1C(=O)[O-] ZINC000739137099 602955629 /nfs/dbraw/zinc/95/56/29/602955629.db2.gz TUXJZSQQEROFCZ-BBBLOLIVSA-N -1 0 319.383 -0.044 20 0 DBADRM C[C@H](CC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)NC(=O)[O-] ZINC000824623464 602959195 /nfs/dbraw/zinc/95/91/95/602959195.db2.gz UEYGLUJWCSZFCG-PSASIEDQSA-N -1 0 309.326 -0.312 20 0 DBADRM C[C@@H](CC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)NC(=O)[O-] ZINC000824623467 602959219 /nfs/dbraw/zinc/95/92/19/602959219.db2.gz UEYGLUJWCSZFCG-WPRPVWTQSA-N -1 0 309.326 -0.312 20 0 DBADRM CCN(CCCNC(=O)NCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000739419673 602959218 /nfs/dbraw/zinc/95/92/18/602959218.db2.gz JPZWGFBADUKGEN-UHFFFAOYSA-N -1 0 315.330 -0.773 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000738136786 602961875 /nfs/dbraw/zinc/96/18/75/602961875.db2.gz ZEGGLIBKJGKYOX-VHSXEESVSA-N -1 0 319.383 -0.474 20 0 DBADRM CN(CCCC(=O)N1CC[C@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC000737418157 602963024 /nfs/dbraw/zinc/96/30/24/602963024.db2.gz PCZREVZQAPXYJR-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)NCCN(C(=O)[O-])C1CC1 ZINC000738947723 602963542 /nfs/dbraw/zinc/96/35/42/602963542.db2.gz FIWIBVHSGHQWGX-QMMMGPOBSA-N -1 0 307.372 -0.139 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000739309274 602963659 /nfs/dbraw/zinc/96/36/59/602963659.db2.gz WPMGJSOOSPVUHA-BDAKNGLRSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000738948363 602964946 /nfs/dbraw/zinc/96/49/46/602964946.db2.gz GASBADGCBOZXTB-DTWKUNHWSA-N -1 0 307.372 -0.139 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000738860166 602974576 /nfs/dbraw/zinc/97/45/76/602974576.db2.gz LZJBHEZRRPTTLX-ZJUUUORDSA-N -1 0 321.399 -0.133 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000738757684 602975790 /nfs/dbraw/zinc/97/57/90/602975790.db2.gz LAPWRKDLJNGYKM-DTWKUNHWSA-N -1 0 321.399 -0.133 20 0 DBADRM Cn1cc(C(=O)O[C@@H]2CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740285282 602977687 /nfs/dbraw/zinc/97/76/87/602977687.db2.gz WZLDHQWCXXGZPB-MRVPVSSYSA-N -1 0 311.294 -0.617 20 0 DBADRM CCS(=O)(=O)N1CCN(C[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739517243 602980738 /nfs/dbraw/zinc/98/07/38/602980738.db2.gz KXCKPZRYRXZWJK-NSHDSACASA-N -1 0 305.400 -0.046 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000740624139 602981042 /nfs/dbraw/zinc/98/10/42/602981042.db2.gz SHHAZJUFHHMESL-YIZRAAEISA-N -1 0 312.326 -0.473 20 0 DBADRM NC(=O)c1cccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000740335335 602985482 /nfs/dbraw/zinc/98/54/82/602985482.db2.gz NJFBOOGZOYPPMO-UHFFFAOYSA-N -1 0 320.305 -0.454 20 0 DBADRM NC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740334685 602987054 /nfs/dbraw/zinc/98/70/54/602987054.db2.gz AELHIIVARVNHJS-UHFFFAOYSA-N -1 0 320.305 -0.454 20 0 DBADRM COCCN1CCN(C(=O)COCCNC(=O)[O-])C[C@@H]1C ZINC000739833927 602987656 /nfs/dbraw/zinc/98/76/56/602987656.db2.gz MKHGEAXOAXMENZ-NSHDSACASA-N -1 0 303.359 -0.550 20 0 DBADRM COc1cc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)ccn1 ZINC000739863547 602988209 /nfs/dbraw/zinc/98/82/09/602988209.db2.gz VYMSXIADFKTVQN-UHFFFAOYSA-N -1 0 322.321 -0.471 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCCc2ccccn2)C(=O)C1 ZINC000740368139 602988432 /nfs/dbraw/zinc/98/84/32/602988432.db2.gz IGDAWLCCXISHCS-UHFFFAOYSA-N -1 0 306.322 -0.438 20 0 DBADRM CN(C)c1ncccc1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739619440 602990916 /nfs/dbraw/zinc/99/09/16/602990916.db2.gz QBSWNWWFUGLRRB-UHFFFAOYSA-N -1 0 321.337 -0.092 20 0 DBADRM CC(C)(CC(=O)NCCCN1C(=O)CNC1=O)NC(=O)[O-] ZINC000738729389 602991213 /nfs/dbraw/zinc/99/12/13/602991213.db2.gz BVAUIBIRXBFZRI-UHFFFAOYSA-N -1 0 300.315 -0.519 20 0 DBADRM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000740637659 602992197 /nfs/dbraw/zinc/99/21/97/602992197.db2.gz ZUMUHRUFHSHFJW-NXEZZACHSA-N -1 0 324.337 -0.109 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CCN1C(=O)[O-] ZINC000825996672 603002056 /nfs/dbraw/zinc/00/20/56/603002056.db2.gz PMDIUTLKTPGYDY-RKDXNWHRSA-N -1 0 305.356 -0.433 20 0 DBADRM Cc1ncsc1CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740243202 603002843 /nfs/dbraw/zinc/00/28/43/603002843.db2.gz TZJUYNXHWCMNJQ-UHFFFAOYSA-N -1 0 312.351 -0.110 20 0 DBADRM CCOCCN(CC)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739491109 603003118 /nfs/dbraw/zinc/00/31/18/603003118.db2.gz DCJAPIQDKGAREM-UHFFFAOYSA-N -1 0 301.343 -0.306 20 0 DBADRM COCC(=O)N[C@H](C(=O)N[C@H]1CCN(C(=O)[O-])C1)C(C)C ZINC000739806388 603004345 /nfs/dbraw/zinc/00/43/45/603004345.db2.gz SGGVBKNOUNQQFM-ONGXEEELSA-N -1 0 301.343 -0.358 20 0 DBADRM CN1CC(=O)N(CC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1=O ZINC000739722379 603006210 /nfs/dbraw/zinc/00/62/10/603006210.db2.gz DVQHRHOQFOFWHU-PBINXNQUSA-N -1 0 324.337 -0.330 20 0 DBADRM Cc1cc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)nnc1C ZINC000740083482 603007592 /nfs/dbraw/zinc/00/75/92/603007592.db2.gz BOAYWDWDJMNLSM-UHFFFAOYSA-N -1 0 307.310 -0.146 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000832550988 603009831 /nfs/dbraw/zinc/00/98/31/603009831.db2.gz GSIFSTIREUOPRN-IUCAKERBSA-N -1 0 305.356 -0.385 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)CCCN(C)C(=O)[O-])CCO1 ZINC000736149250 603014166 /nfs/dbraw/zinc/01/41/66/603014166.db2.gz VZCZYGQZPMCNPI-LLVKDONJSA-N -1 0 301.343 -0.260 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)[C@H](NC(=O)[O-])C(C)C)CCO1 ZINC000736147187 603014170 /nfs/dbraw/zinc/01/41/70/603014170.db2.gz DWSVLIFKBWVGPQ-WDEREUQCSA-N -1 0 301.343 -0.358 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)C(C)(C)NC(=O)[O-])C2=O)cn1 ZINC000739033046 603014716 /nfs/dbraw/zinc/01/47/16/603014716.db2.gz DDFAQKYDBRGYLF-VIFPVBQESA-N -1 0 309.326 -0.312 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)CCCNC(=O)[O-])C2=O)cn1 ZINC000739033575 603014892 /nfs/dbraw/zinc/01/48/92/603014892.db2.gz KVEZTMQSFHQTKM-JTQLQIEISA-N -1 0 309.326 -0.311 20 0 DBADRM CN(Cc1ccncc1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739718155 603015039 /nfs/dbraw/zinc/01/50/39/603015039.db2.gz AMOGQNWLXIHBNP-UHFFFAOYSA-N -1 0 306.322 -0.138 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000740345513 603015870 /nfs/dbraw/zinc/01/58/70/603015870.db2.gz CAZBXBACOSBPOB-RYUDHWBXSA-N -1 0 313.354 -0.702 20 0 DBADRM Cc1cccc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000740168996 603017637 /nfs/dbraw/zinc/01/76/37/603017637.db2.gz DXRLHKIJRBQYDF-UHFFFAOYSA-N -1 0 306.322 -0.172 20 0 DBADRM CC(C)(CC(=O)N1CCCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000738733171 603017646 /nfs/dbraw/zinc/01/76/46/603017646.db2.gz ZIGVFLDYVXCISG-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000739995584 603018373 /nfs/dbraw/zinc/01/83/73/603018373.db2.gz OIROHADFPIVKCA-DTWKUNHWSA-N -1 0 307.372 -0.522 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)CC(C)(C)NC(=O)[O-] ZINC000739757734 603018851 /nfs/dbraw/zinc/01/88/51/603018851.db2.gz ALEWFJWSMDSSTR-QMMMGPOBSA-N -1 0 315.326 -0.687 20 0 DBADRM Cc1nccn1CCCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740240007 603019599 /nfs/dbraw/zinc/01/95/99/603019599.db2.gz NEQITULCUPBUAJ-UHFFFAOYSA-N -1 0 323.353 -0.480 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NCCC(=O)N1CCOCC1 ZINC000740572560 603019604 /nfs/dbraw/zinc/01/96/04/603019604.db2.gz GNVAVIDUGQJTTB-WDEREUQCSA-N -1 0 313.354 -0.212 20 0 DBADRM NC(=O)C1(CNC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])CCOCC1 ZINC000740326352 603020867 /nfs/dbraw/zinc/02/08/67/603020867.db2.gz VFUZUHOAZUKDAY-UWVGGRQHSA-N -1 0 313.354 -0.179 20 0 DBADRM CN(CCCNC(=O)CC(C)(C)NC(=O)[O-])S(C)(=O)=O ZINC000739669402 603022508 /nfs/dbraw/zinc/02/25/08/603022508.db2.gz AGOVSCVYCJADAJ-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM COC[C@H](C)S(=O)(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739803065 603022929 /nfs/dbraw/zinc/02/29/29/603022929.db2.gz BQZXYRPRABMFIV-NSHDSACASA-N -1 0 323.415 -0.422 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)C[C@H]1CCOC1 ZINC000739619552 603027478 /nfs/dbraw/zinc/02/74/78/603027478.db2.gz APCOQWOKWCQHMS-LLVKDONJSA-N -1 0 313.354 -0.306 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCc2ccc(=O)[nH]c2)C(=O)C1 ZINC000740370041 603031214 /nfs/dbraw/zinc/03/12/14/603031214.db2.gz ZRMJVTAEQSXLJR-UHFFFAOYSA-N -1 0 308.294 -0.774 20 0 DBADRM C[C@@H](O)C[C@H](C)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739038308 603032049 /nfs/dbraw/zinc/03/20/49/603032049.db2.gz PBISRHGGISVENO-VHSXEESVSA-N -1 0 301.343 -0.668 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)COCCNC(=O)[O-])CCO1 ZINC000739476295 603033163 /nfs/dbraw/zinc/03/31/63/603033163.db2.gz QGJLVJRHDWCKRJ-VIFPVBQESA-N -1 0 304.299 -0.939 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[O-])CCO1 ZINC000739472936 603033300 /nfs/dbraw/zinc/03/33/00/603033300.db2.gz HMPNXJPPKBHGQI-VHSXEESVSA-N -1 0 300.311 -0.081 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)C1CCS(=O)(=O)CC1)C1CC1 ZINC000740601777 603033824 /nfs/dbraw/zinc/03/38/24/603033824.db2.gz JBWZALVZGLIDIC-JTQLQIEISA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])N1CCCN(C(=O)NCCN2C(=O)CCC2=O)CC1 ZINC000738644328 603036905 /nfs/dbraw/zinc/03/69/05/603036905.db2.gz PIGPLMVXDBZEPK-UHFFFAOYSA-N -1 0 312.326 -0.469 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000739992376 603039673 /nfs/dbraw/zinc/03/96/73/603039673.db2.gz QTRNYSFHFXBNJL-UWVGGRQHSA-N -1 0 319.383 -0.427 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NCCN1C(=O)CCC1=O ZINC000738930675 603042879 /nfs/dbraw/zinc/04/28/79/603042879.db2.gz VQHOJLPNHNDDPW-MRVPVSSYSA-N -1 0 300.315 -0.567 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000823575187 603043621 /nfs/dbraw/zinc/04/36/21/603043621.db2.gz NHKXFZOTASUFEC-UHFFFAOYSA-N -1 0 323.305 -0.042 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)NCCCNC(=O)[O-])CCO1 ZINC000738551867 603045435 /nfs/dbraw/zinc/04/54/35/603045435.db2.gz QILLEWVNDMBELE-JTQLQIEISA-N -1 0 302.331 -0.809 20 0 DBADRM CN(CCNC(=O)N1CCO[C@@H](Cn2cncn2)C1)C(=O)[O-] ZINC000739691019 603047306 /nfs/dbraw/zinc/04/73/06/603047306.db2.gz GCKLXVZAJRMZOF-SNVBAGLBSA-N -1 0 312.330 -0.702 20 0 DBADRM COCCN(C)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739814086 603047405 /nfs/dbraw/zinc/04/74/05/603047405.db2.gz RATJZVJGBMVGJL-UHFFFAOYSA-N -1 0 314.342 -0.414 20 0 DBADRM CC(C)N1C(=O)C(=O)N(CN2CCN(C(=O)[O-])[C@@H](C)C2)C1=O ZINC000739186306 603051958 /nfs/dbraw/zinc/05/19/58/603051958.db2.gz SIULAZWRRKULJD-VIFPVBQESA-N -1 0 312.326 -0.173 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C1CC1 ZINC000740604520 603053573 /nfs/dbraw/zinc/05/35/73/603053573.db2.gz ZRZGMIBGCNWEBJ-VIFPVBQESA-N -1 0 310.310 -0.911 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CCN(C(=O)[O-])[C@@H](C)C2)C1=O ZINC000739813098 603055209 /nfs/dbraw/zinc/05/52/09/603055209.db2.gz VFGSMNQYKHNPNN-TVQRCGJNSA-N -1 0 314.342 -0.415 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000740578204 603056419 /nfs/dbraw/zinc/05/64/19/603056419.db2.gz SPDTYBPWSQNHSA-QJPTWQEYSA-N -1 0 323.353 -0.058 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)[C@H]2CCCN2C(=O)[O-])CC1 ZINC000740005142 603056724 /nfs/dbraw/zinc/05/67/24/603056724.db2.gz KUNQYNDWSMDNIR-WSVYEEACSA-N -1 0 317.411 -0.349 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000740340679 603061162 /nfs/dbraw/zinc/06/11/62/603061162.db2.gz ILWZFBYCYVFFKU-NWDGAFQWSA-N -1 0 320.349 -0.157 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCN(c2ncccn2)CC1 ZINC000740342361 603061325 /nfs/dbraw/zinc/06/13/25/603061325.db2.gz UPTRFJVDJGLROW-MNOVXSKESA-N -1 0 321.337 -0.762 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCN(c2ncccn2)CC1 ZINC000740342353 603061477 /nfs/dbraw/zinc/06/14/77/603061477.db2.gz UPTRFJVDJGLROW-GHMZBOCLSA-N -1 0 321.337 -0.762 20 0 DBADRM CC(C)(CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])N1CCOCC1 ZINC000738746652 603062141 /nfs/dbraw/zinc/06/21/41/603062141.db2.gz KKQJZMKTHVWNFG-WDEREUQCSA-N -1 0 315.370 -0.673 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)CCCNC(=O)[O-])n1 ZINC000739985031 603065611 /nfs/dbraw/zinc/06/56/11/603065611.db2.gz TXVBUWTVKVTCHJ-UHFFFAOYSA-N -1 0 318.355 -0.086 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000740343448 603066518 /nfs/dbraw/zinc/06/65/18/603066518.db2.gz ZCLYMCZQZHKERZ-NXEZZACHSA-N -1 0 300.311 -0.535 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NC2CCC(NC(=O)[O-])CC2)c1=O ZINC000740275196 603066825 /nfs/dbraw/zinc/06/68/25/603066825.db2.gz JYBCCZXPAAXDMI-UHFFFAOYSA-N -1 0 324.337 -0.758 20 0 DBADRM NC(=O)c1cc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])ccc1F ZINC000740334533 603067963 /nfs/dbraw/zinc/06/79/63/603067963.db2.gz UKAYCMNFVUTIIR-XVKPBYJWSA-N -1 0 311.269 -0.024 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)C(C)(C)NC(=O)[O-])C2=O)n(C)n1 ZINC000830073297 603069869 /nfs/dbraw/zinc/06/98/69/603069869.db2.gz PJZMYJMSIKAHMX-VIFPVBQESA-N -1 0 323.353 -0.004 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCC(=O)NCc1ccccc1 ZINC000740375808 603070278 /nfs/dbraw/zinc/07/02/78/603070278.db2.gz BQFIMYCTSWOHKZ-RYUDHWBXSA-N -1 0 321.333 -0.468 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)C[C@@H](C)NC(=O)[O-])C2=O)n(C)n1 ZINC000830073184 603071560 /nfs/dbraw/zinc/07/15/60/603071560.db2.gz OJCFRCKYQXOOTL-SCZZXKLOSA-N -1 0 323.353 -0.004 20 0 DBADRM CN(Cc1cccc(C(N)=O)c1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739717479 603071798 /nfs/dbraw/zinc/07/17/98/603071798.db2.gz XFKWLAWKEZTYRB-VXGBXAGGSA-N -1 0 321.333 -0.143 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCC(=O)Nc1ccccc1 ZINC000740380741 603072431 /nfs/dbraw/zinc/07/24/31/603072431.db2.gz ZELSRHALOMZHQB-MNOVXSKESA-N -1 0 307.306 -0.146 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCNC(=O)[O-] ZINC000738704226 603074971 /nfs/dbraw/zinc/07/49/71/603074971.db2.gz FWEWIUYYJVTNMC-BDAKNGLRSA-N -1 0 317.342 -0.260 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NC1CCN(CC(F)F)CC1 ZINC000740400987 603075503 /nfs/dbraw/zinc/07/55/03/603075503.db2.gz IJZMJYWPTIZHQQ-UWVGGRQHSA-N -1 0 321.324 -0.055 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCc1cn2c(n1)CCCC2 ZINC000740452156 603077715 /nfs/dbraw/zinc/07/77/15/603077715.db2.gz SSPPUWXVFQCHOC-QWRGUYRKSA-N -1 0 308.338 -0.051 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CCC[C@H](NC(=O)[O-])C2)n1 ZINC000738051547 603079837 /nfs/dbraw/zinc/07/98/37/603079837.db2.gz RJABWPMIGLJETM-VIFPVBQESA-N -1 0 310.310 -0.281 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000738985667 603082722 /nfs/dbraw/zinc/08/27/22/603082722.db2.gz JYNPRSOCXMTJSO-JGVFFNPUSA-N -1 0 309.326 -0.129 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)NCCN(CC)C(=O)[O-])CCO1 ZINC000739471786 603084303 /nfs/dbraw/zinc/08/43/03/603084303.db2.gz DQZOOCXEEUTQIX-JTQLQIEISA-N -1 0 317.342 -0.040 20 0 DBADRM CN(CCCNC(=O)[O-])S(=O)(=O)N(C)C1CCOCC1 ZINC000739678576 603085382 /nfs/dbraw/zinc/08/53/82/603085382.db2.gz GVJWBQYGATVMQI-UHFFFAOYSA-N -1 0 309.388 -0.069 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739474422 603086087 /nfs/dbraw/zinc/08/60/87/603086087.db2.gz LTMBSFSXFBPOAB-VHSXEESVSA-N -1 0 315.326 -0.288 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739474421 603086111 /nfs/dbraw/zinc/08/61/11/603086111.db2.gz LTMBSFSXFBPOAB-UWVGGRQHSA-N -1 0 315.326 -0.288 20 0 DBADRM COCCN(CC(=O)N1CCC[C@H]1C(=O)NC1CC1)C(=O)[O-] ZINC000739816875 603089368 /nfs/dbraw/zinc/08/93/68/603089368.db2.gz PGIXTBSFIODGER-NSHDSACASA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCC(=O)NC1CCCCC1 ZINC000740376618 603090796 /nfs/dbraw/zinc/09/07/96/603090796.db2.gz HJHFBQVMULXXGI-MNOVXSKESA-N -1 0 313.354 -0.335 20 0 DBADRM C[C@@H](CCNC(=O)N1CCS(=O)(=O)C[C@H]1C)NC(=O)[O-] ZINC000738906063 603097751 /nfs/dbraw/zinc/09/77/51/603097751.db2.gz OBJKHHVNMXLOMH-DTWKUNHWSA-N -1 0 307.372 -0.139 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@](C)(CNC(=O)[O-])C1CC1 ZINC000739036301 603097303 /nfs/dbraw/zinc/09/73/03/603097303.db2.gz CJFRNRLILKJQPM-RDDDGLTNSA-N -1 0 307.372 -0.523 20 0 DBADRM COCCN(CC(=O)NCC(=O)Nc1cccnc1)C(=O)[O-] ZINC000739819493 603098482 /nfs/dbraw/zinc/09/84/82/603098482.db2.gz RNSFFWLHGBDCIL-UHFFFAOYSA-N -1 0 310.310 -0.237 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739189334 603098584 /nfs/dbraw/zinc/09/85/84/603098584.db2.gz LZXIWWALQINQBQ-BDAKNGLRSA-N -1 0 305.356 -0.433 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000737128817 603098664 /nfs/dbraw/zinc/09/86/64/603098664.db2.gz BAQGUKDGIXISLV-UHFFFAOYSA-N -1 0 315.326 -0.734 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739514210 603098824 /nfs/dbraw/zinc/09/88/24/603098824.db2.gz FYYXUUPEPFFIGT-XHNCKOQMSA-N -1 0 308.356 -0.961 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCCNc1ncccn1 ZINC000740428100 603099657 /nfs/dbraw/zinc/09/96/57/603099657.db2.gz LHIWERHPAOJYEJ-UWVGGRQHSA-N -1 0 309.326 -0.492 20 0 DBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000738771313 603100272 /nfs/dbraw/zinc/10/02/72/603100272.db2.gz KKHAHRULQMEUCO-LBPRGKRZSA-N -1 0 313.314 -0.118 20 0 DBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000739040451 603100354 /nfs/dbraw/zinc/10/03/54/603100354.db2.gz RGEJITUFIFAWMK-KCJUWKMLSA-N -1 0 309.388 -0.277 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCc2ccc(O)cc2)C(=O)C1 ZINC000740367535 603101848 /nfs/dbraw/zinc/10/18/48/603101848.db2.gz CKVVNKHNBBSIQD-UHFFFAOYSA-N -1 0 307.306 -0.169 20 0 DBADRM COCCN(CC(=O)N(C)Cc1nnc2n1CCC2)C(=O)[O-] ZINC000739815170 603105490 /nfs/dbraw/zinc/10/54/90/603105490.db2.gz AYRCANRFNFSMRA-UHFFFAOYSA-N -1 0 311.342 -0.191 20 0 DBADRM COCCN(CC(=O)N1CCC[C@@H]1C(=O)N(C)C)C(=O)[O-] ZINC000739815723 603105675 /nfs/dbraw/zinc/10/56/75/603105675.db2.gz HIAFMBLQZSGKIQ-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM COc1cccc(COC(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000739943253 603106908 /nfs/dbraw/zinc/10/69/08/603106908.db2.gz AGYACZVXEBLXNM-UHFFFAOYSA-N -1 0 323.305 -0.044 20 0 DBADRM COc1ncc(C(=O)NCCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000739983343 603107124 /nfs/dbraw/zinc/10/71/24/603107124.db2.gz MHNKXQBKMCBUIG-UHFFFAOYSA-N -1 0 323.353 -0.099 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)OCc1nc(C2CC2)no1 ZINC000740373626 603108554 /nfs/dbraw/zinc/10/85/54/603108554.db2.gz OKXHVBXCHQNTBG-UHFFFAOYSA-N -1 0 324.293 -0.188 20 0 DBADRM CCc1nnc(COC(=O)CN2CCN(C(=O)[O-])CC2=O)o1 ZINC000739555838 603109545 /nfs/dbraw/zinc/10/95/45/603109545.db2.gz CTDKYDHTXBMYOX-UHFFFAOYSA-N -1 0 312.282 -0.503 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCN(C)C(=O)[O-])c[nH]1 ZINC000828761036 603113291 /nfs/dbraw/zinc/11/32/91/603113291.db2.gz MOXAVFNQEVGGLW-UHFFFAOYSA-N -1 0 305.312 -0.311 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCC[C@H]2CNC(=O)[O-])S1 ZINC000831240008 603113791 /nfs/dbraw/zinc/11/37/91/603113791.db2.gz LJLQQPUXIPEVSF-BQBZGAKWSA-N -1 0 300.340 -0.199 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000739310546 603116802 /nfs/dbraw/zinc/11/68/02/603116802.db2.gz DCQQRGFQNFRCRZ-IUCAKERBSA-N -1 0 307.372 -0.298 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000736365886 603117627 /nfs/dbraw/zinc/11/76/27/603117627.db2.gz AIRCCZIXXXDUBL-LBPRGKRZSA-N -1 0 314.386 -0.441 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)OCC(=O)N1CCOCC1 ZINC000740584377 603120024 /nfs/dbraw/zinc/12/00/24/603120024.db2.gz YWTLIXSCDRKRDF-VHSXEESVSA-N -1 0 300.311 -0.175 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739761710 603121969 /nfs/dbraw/zinc/12/19/69/603121969.db2.gz MSOLRDVHEYLHCT-SFYZADRCSA-N -1 0 302.283 -0.745 20 0 DBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)CN1CCCS1(=O)=O ZINC000738766880 603123951 /nfs/dbraw/zinc/12/39/51/603123951.db2.gz BMUHWJLBIPWCFB-LBPRGKRZSA-N -1 0 321.399 -0.180 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCOCC1 ZINC000832481239 603130808 /nfs/dbraw/zinc/13/08/08/603130808.db2.gz HJKZDWBTXBNWLN-UWVGGRQHSA-N -1 0 307.372 -0.411 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CCO1 ZINC000739757531 603133172 /nfs/dbraw/zinc/13/31/72/603133172.db2.gz YMGOIRJZYOQKNO-UWVGGRQHSA-N -1 0 315.326 -0.384 20 0 DBADRM Cn1c(=O)cc(COC(=O)CC(C)(C)NC(=O)[O-])n(C)c1=O ZINC000740281268 603135166 /nfs/dbraw/zinc/13/51/66/603135166.db2.gz FCFZKNUSJALGGA-UHFFFAOYSA-N -1 0 313.310 -0.437 20 0 DBADRM CC(C)(CC(=O)OCC(=O)NC(=O)NC1CC1)NC(=O)[O-] ZINC000738738999 603135422 /nfs/dbraw/zinc/13/54/22/603135422.db2.gz RURKAZHKZAPBCD-UHFFFAOYSA-N -1 0 301.299 -0.046 20 0 DBADRM CCN(CCNC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)[O-] ZINC000739419899 603138321 /nfs/dbraw/zinc/13/83/21/603138321.db2.gz AGDZLXYGFWTABS-UHFFFAOYSA-N -1 0 300.315 -0.567 20 0 DBADRM COCCc1noc(COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])n1 ZINC000739839032 603145830 /nfs/dbraw/zinc/14/58/30/603145830.db2.gz VZCFUVBGTXVWET-JGVFFNPUSA-N -1 0 315.282 -0.585 20 0 DBADRM O=C([O-])N1CCN(Cc2nc(-c3ncccn3)no2)C(=O)C1 ZINC000740527121 603146721 /nfs/dbraw/zinc/14/67/21/603146721.db2.gz PJPWGUMOLOZVNY-UHFFFAOYSA-N -1 0 304.266 -0.151 20 0 DBADRM CN(CC(=O)OC[C@H]1CCCCN1C(=O)[O-])S(C)(=O)=O ZINC000739631817 603146803 /nfs/dbraw/zinc/14/68/03/603146803.db2.gz XGTOVBXMGIQOKR-SECBINFHSA-N -1 0 308.356 -0.047 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)Cn1ccc(=O)[nH]c1=O)C(=O)[O-] ZINC000828198706 603153381 /nfs/dbraw/zinc/15/33/81/603153381.db2.gz JQIQXIVBYJFGKE-VIFPVBQESA-N -1 0 310.310 -0.450 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)CN1C(=O)CN(C)C1=O)C(=O)[O-] ZINC000828193006 603153437 /nfs/dbraw/zinc/15/34/37/603153437.db2.gz ZTINNHYSPFRSFK-VIFPVBQESA-N -1 0 312.326 -0.519 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000828218352 603155345 /nfs/dbraw/zinc/15/53/45/603155345.db2.gz JZWXKEOVCJYWQY-SECBINFHSA-N -1 0 324.337 -0.702 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)NCC(F)(F)F ZINC000740378036 603157591 /nfs/dbraw/zinc/15/75/91/603157591.db2.gz NRSHGUSSDQPUQM-PHDIDXHHSA-N -1 0 314.216 -0.679 20 0 DBADRM CN(CC1CC1)C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739632336 603158130 /nfs/dbraw/zinc/15/81/30/603158130.db2.gz BUHNQPUXCFYDML-ZJUUUORDSA-N -1 0 300.311 -0.489 20 0 DBADRM COCCS(=O)(=O)CC(=O)OC[C@H]1CCN(C(=O)[O-])C1 ZINC000739838341 603163527 /nfs/dbraw/zinc/16/35/27/603163527.db2.gz QGJVOTBURCVFQC-VIFPVBQESA-N -1 0 309.340 -0.409 20 0 DBADRM COCCN(CC(=O)O[C@@H](C)C(=O)N1CCOCC1)C(=O)[O-] ZINC000739827695 603164410 /nfs/dbraw/zinc/16/44/10/603164410.db2.gz NSOIFXLENFXYQK-JTQLQIEISA-N -1 0 318.326 -0.597 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)CC[C@H]1NC(=O)NC1=O)C(=O)[O-] ZINC000828185859 603165706 /nfs/dbraw/zinc/16/57/06/603165706.db2.gz GOILFZBJQAFCHY-DTWKUNHWSA-N -1 0 312.326 -0.425 20 0 DBADRM O=C([O-])N1CC[C@H](COC(=O)Cn2ncn3nccc3c2=O)C1 ZINC000740390529 603168129 /nfs/dbraw/zinc/16/81/29/603168129.db2.gz KGSAYTFSNYAABK-VIFPVBQESA-N -1 0 321.293 -0.566 20 0 DBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)C2=COCC2)C1 ZINC000740659149 603183887 /nfs/dbraw/zinc/18/38/87/603183887.db2.gz QVOYHHIAVFQQAJ-JTQLQIEISA-N -1 0 311.338 -0.087 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000740013780 603185916 /nfs/dbraw/zinc/18/59/16/603185916.db2.gz RZUIWPIFSOGNQD-QWRGUYRKSA-N -1 0 319.427 -0.099 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)CCN1CCCS1(=O)=O ZINC000739672119 603187000 /nfs/dbraw/zinc/18/70/00/603187000.db2.gz JRJATZXDVYVDKI-UHFFFAOYSA-N -1 0 307.372 -0.472 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000740343131 603187192 /nfs/dbraw/zinc/18/71/92/603187192.db2.gz ULUNBBJITYDUTK-IUCAKERBSA-N -1 0 305.356 -0.592 20 0 DBADRM CN(CCCC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000739665390 603187277 /nfs/dbraw/zinc/18/72/77/603187277.db2.gz BOHZIHZMTKHXDL-SECBINFHSA-N -1 0 307.372 -0.344 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)C2CCN(C(=O)[O-])CC2)C1 ZINC000740340609 603187322 /nfs/dbraw/zinc/18/73/22/603187322.db2.gz HCFMAGGMLQVVBJ-JTQLQIEISA-N -1 0 319.383 -0.344 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N1CCN(CCn2cncn2)CC1 ZINC000738754620 603188473 /nfs/dbraw/zinc/18/84/73/603188473.db2.gz PBZOQCZXFPRAQQ-UHFFFAOYSA-N -1 0 310.358 -0.532 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739517413 603189369 /nfs/dbraw/zinc/18/93/69/603189369.db2.gz XDGOUSKEBATDRI-NXEZZACHSA-N -1 0 321.399 -0.132 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000738751712 603191001 /nfs/dbraw/zinc/19/10/01/603191001.db2.gz SLELIWNFPSURAQ-UHFFFAOYSA-N -1 0 300.315 -0.521 20 0 DBADRM CC(=O)N[C@@H](CC(=O)Nc1cccc(CNC(=O)[O-])c1)C(N)=O ZINC000738550192 603191914 /nfs/dbraw/zinc/19/19/14/603191914.db2.gz RHKXULJKOIFXOG-NSHDSACASA-N -1 0 322.321 -0.227 20 0 DBADRM CCN1C(=S)N=NC1CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739565788 603192577 /nfs/dbraw/zinc/19/25/77/603192577.db2.gz YHDSXUGWWFJBLJ-NKWVEPMBSA-N -1 0 315.355 -0.684 20 0 DBADRM C[C@@H]1CN(c2ncc(S(N)(=O)=O)s2)CCN1C(=O)[O-] ZINC000826088151 603194553 /nfs/dbraw/zinc/19/45/53/603194553.db2.gz VSWYRZBHCLRIEM-ZCFIWIBFSA-N -1 0 306.369 -0.021 20 0 DBADRM COCCN(CC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)C(=O)[O-] ZINC000828976165 603197444 /nfs/dbraw/zinc/19/74/44/603197444.db2.gz JLIHRUYGPSBDPO-AXFHLTTASA-N -1 0 313.354 -0.262 20 0 DBADRM Cc1c(C(=O)NC2CN(C(=O)[O-])C2)cnn1-c1ccc(=O)[nH]n1 ZINC000740037707 603201946 /nfs/dbraw/zinc/20/19/46/603201946.db2.gz QOKXBGSYTCZSPA-UHFFFAOYSA-N -1 0 318.293 -0.232 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)CCNC(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825794249 603206589 /nfs/dbraw/zinc/20/65/89/603206589.db2.gz ICHFWMVPQUOULB-SCZZXKLOSA-N -1 0 309.326 -0.312 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CSCC(N)=O ZINC000739202722 603210892 /nfs/dbraw/zinc/21/08/92/603210892.db2.gz HMBBKYPZECFWOH-HTQZYQBOSA-N -1 0 319.383 -0.176 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CS(C)(=O)=O ZINC000739200301 603212702 /nfs/dbraw/zinc/21/27/02/603212702.db2.gz AIFFCMRZEUUSKN-SFYZADRCSA-N -1 0 308.356 -0.349 20 0 DBADRM COC(=O)NCC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739771678 603218271 /nfs/dbraw/zinc/21/82/71/603218271.db2.gz BBKYBBCIRIVOJH-YUMQZZPRSA-N -1 0 303.315 -0.038 20 0 DBADRM CN(CC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000737394373 603220775 /nfs/dbraw/zinc/22/07/75/603220775.db2.gz WJIIZVOTHIPLRB-SNVBAGLBSA-N -1 0 309.326 -0.359 20 0 DBADRM Cc1cc(N2CCC[C@@H](NC(=O)[C@H](C)NC(=O)[O-])C2=O)n(C)n1 ZINC000830077771 603223339 /nfs/dbraw/zinc/22/33/39/603223339.db2.gz GOQYKCHAXJLOHD-VHSXEESVSA-N -1 0 323.353 -0.004 20 0 DBADRM O=C([O-])NCCOCC(=O)NC[C@@H]1CCCN1c1cccnn1 ZINC000740664867 603228951 /nfs/dbraw/zinc/22/89/51/603228951.db2.gz NTUMPYBCVPWEJX-NSHDSACASA-N -1 0 323.353 -0.154 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000738861618 603233838 /nfs/dbraw/zinc/23/38/38/603233838.db2.gz XPIJCWUMLUMBRQ-VIFPVBQESA-N -1 0 307.372 -0.570 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000739671742 603236793 /nfs/dbraw/zinc/23/67/93/603236793.db2.gz BACDDVAJHPLIQK-AATRIKPKSA-N -1 0 324.337 -0.787 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1C(=S)NCCN1CCOCC1 ZINC000832567018 603237960 /nfs/dbraw/zinc/23/79/60/603237960.db2.gz AQVSZZSIQOLNLX-NSHDSACASA-N -1 0 316.427 -0.075 20 0 DBADRM CS(=O)(=O)CCNC(=S)N1CCC[C@H]1CNC(=O)[O-] ZINC000829674740 603238045 /nfs/dbraw/zinc/23/80/45/603238045.db2.gz SBISLXSUTOWFPG-QMMMGPOBSA-N -1 0 309.413 -0.363 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(C)CCCNC(=O)[O-])o1 ZINC000739753131 603238864 /nfs/dbraw/zinc/23/88/64/603238864.db2.gz RSXLVLCZDADTHV-UHFFFAOYSA-N -1 0 319.339 -0.083 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000739674895 603239338 /nfs/dbraw/zinc/23/93/38/603239338.db2.gz MAWVDQGHWFNHIS-UHFFFAOYSA-N -1 0 320.305 -0.054 20 0 DBADRM CN(CCCNC(=O)[O-])c1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000739680036 603245254 /nfs/dbraw/zinc/24/52/54/603245254.db2.gz NWLKXNKGXSTLHY-UHFFFAOYSA-N -1 0 310.314 -0.534 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000739413526 603251031 /nfs/dbraw/zinc/25/10/31/603251031.db2.gz CNVKMBKFOJSGGP-VHSXEESVSA-N -1 0 319.383 -0.137 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@@H]3CCN(C(=O)[O-])C3)C2=O)cn1 ZINC000740291104 603252831 /nfs/dbraw/zinc/25/28/31/603252831.db2.gz PGYVOIFYSXTKQP-KOLCDFICSA-N -1 0 321.337 -0.359 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N(C)CCCNC(=O)[O-])C[C@@H](C)O1 ZINC000739186748 603261973 /nfs/dbraw/zinc/26/19/73/603261973.db2.gz CCZFVHYWXUJVED-NXEZZACHSA-N -1 0 309.388 -0.070 20 0 DBADRM CN(CCCNC(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000739678719 603262642 /nfs/dbraw/zinc/26/26/42/603262642.db2.gz JUHJHWRXUIJVDD-UHFFFAOYSA-N -1 0 318.355 -0.598 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)OC ZINC000739760422 603270494 /nfs/dbraw/zinc/27/04/94/603270494.db2.gz KVWDHQUZIAGUIR-SFYZADRCSA-N -1 0 302.283 -0.793 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000739982517 603285525 /nfs/dbraw/zinc/28/55/25/603285525.db2.gz GJRKWZAAILWBQM-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000829688796 603292893 /nfs/dbraw/zinc/29/28/93/603292893.db2.gz WKLGGPKKCHQWCD-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739514734 603293326 /nfs/dbraw/zinc/29/33/26/603293326.db2.gz ASHUJSFXCBNVBJ-SNVBAGLBSA-N -1 0 319.383 -0.520 20 0 DBADRM O=C(C[C@H]1CCCN1C(=O)[O-])NCCC(=O)N1CCOCC1 ZINC000831327842 603294867 /nfs/dbraw/zinc/29/48/67/603294867.db2.gz PMVFKQGYZGHNHO-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000739388046 603295336 /nfs/dbraw/zinc/29/53/36/603295336.db2.gz PYMYQNYNTTXEAG-RKDXNWHRSA-N -1 0 305.356 -0.385 20 0 DBADRM O=C([O-])N1CC[C@H](C(=O)NCCC(=O)Nc2ccncc2)C1 ZINC000740355746 603295483 /nfs/dbraw/zinc/29/54/83/603295483.db2.gz BGSYIQWUPNYJEH-JTQLQIEISA-N -1 0 306.322 -0.052 20 0 DBADRM Cc1noc(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)n1 ZINC000740267566 603295722 /nfs/dbraw/zinc/29/57/22/603295722.db2.gz XMIJOAAFHRRXNR-UHFFFAOYSA-N -1 0 309.282 -0.058 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000739223342 603298835 /nfs/dbraw/zinc/29/88/35/603298835.db2.gz JCHQCDHQWCSKKG-UVPNAGLESA-N -1 0 312.326 -0.521 20 0 DBADRM CN(C(=O)N[C@@H]1CCCN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000737327587 603300082 /nfs/dbraw/zinc/30/00/82/603300082.db2.gz QFZFPADGWSXESO-NXEZZACHSA-N -1 0 319.383 -0.043 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000739160036 603302300 /nfs/dbraw/zinc/30/23/00/603302300.db2.gz LPRUSQYTCKLUHK-BDAKNGLRSA-N -1 0 300.315 -0.976 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NC[C@H](O)C2CCOCC2)C1 ZINC000740406439 603308165 /nfs/dbraw/zinc/30/81/65/603308165.db2.gz XIHIDXGZHKITDV-MNOVXSKESA-N -1 0 301.343 -0.175 20 0 DBADRM C[C@H](CC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)NC(=O)[O-] ZINC000824584070 603308294 /nfs/dbraw/zinc/30/82/94/603308294.db2.gz WRTNKCFYSHQWOY-NXEZZACHSA-N -1 0 321.399 -0.037 20 0 DBADRM CN(CC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-])S(C)(=O)=O ZINC000739623595 603311303 /nfs/dbraw/zinc/31/13/03/603311303.db2.gz HILAUKRYZXWAOQ-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM CN(CC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-])S(C)(=O)=O ZINC000739623604 603311216 /nfs/dbraw/zinc/31/12/16/603311216.db2.gz HILAUKRYZXWAOQ-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000739751246 603315136 /nfs/dbraw/zinc/31/51/36/603315136.db2.gz SCNYQOICSVCNDU-VHSXEESVSA-N -1 0 319.383 -0.474 20 0 DBADRM COC(=O)C[C@@H]1CSCCN1C(=O)COCCNC(=O)[O-] ZINC000739759700 603320122 /nfs/dbraw/zinc/32/01/22/603320122.db2.gz JARSCIASWUAMOZ-SECBINFHSA-N -1 0 320.367 -0.222 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@@H]1NC(=O)[O-] ZINC000739138112 603320514 /nfs/dbraw/zinc/32/05/14/603320514.db2.gz VTUSDRNAHFSCPB-IUCAKERBSA-N -1 0 312.326 -0.567 20 0 DBADRM Cn1cc(/C=C/C(=O)O[C@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740286082 603325455 /nfs/dbraw/zinc/32/54/55/603325455.db2.gz BKSYBVPVJCSEGW-FSIBCCDJSA-N -1 0 323.305 -0.607 20 0 DBADRM COCCN1C[C@H](C(=O)O[C@H]2CCN(C(=O)[O-])C2)CC1=O ZINC000739829826 603328870 /nfs/dbraw/zinc/32/88/70/603328870.db2.gz QYKZIYWVXDZBLB-ZJUUUORDSA-N -1 0 300.311 -0.223 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)N[C@H]2CCN(C(=O)[O-])C2)n1 ZINC000828700467 603333678 /nfs/dbraw/zinc/33/36/78/603333678.db2.gz VVLGPIDSVVKWIP-QMMMGPOBSA-N -1 0 311.298 -0.070 20 0 DBADRM CCC[C@@H](O)CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739329210 603356475 /nfs/dbraw/zinc/35/64/75/603356475.db2.gz MBHFXYXLBXQYQN-SNVBAGLBSA-N -1 0 316.358 -0.731 20 0 DBADRM C[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[C@@H]1NC(=O)[O-] ZINC000739127669 603360514 /nfs/dbraw/zinc/36/05/14/603360514.db2.gz SZCYNFILVBKJFJ-UWVGGRQHSA-N -1 0 324.337 -0.569 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CCN(C(=O)[O-])[C@H](C)C1 ZINC000739808485 603362432 /nfs/dbraw/zinc/36/24/32/603362432.db2.gz TZAJLKKEIRPQKV-NXEZZACHSA-N -1 0 316.358 -0.469 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000739808488 603362469 /nfs/dbraw/zinc/36/24/69/603362469.db2.gz TZAJLKKEIRPQKV-ZJUUUORDSA-N -1 0 316.358 -0.469 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)CN(CC2CC2)C(=O)[O-])cn1 ZINC000828547665 603363113 /nfs/dbraw/zinc/36/31/13/603363113.db2.gz VWEZIMVAISJHRT-UHFFFAOYSA-N -1 0 309.326 -0.042 20 0 DBADRM C[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CC[C@H]1NC(=O)[O-] ZINC000739132760 603363361 /nfs/dbraw/zinc/36/33/61/603363361.db2.gz ISCDKQDQBOOOQH-DTWKUNHWSA-N -1 0 310.310 -0.547 20 0 DBADRM CN(C)C(=O)CNC(=S)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000739598436 603375184 /nfs/dbraw/zinc/37/51/84/603375184.db2.gz ZZTMAJHXOPTCIU-DTWKUNHWSA-N -1 0 302.400 -0.025 20 0 DBADRM CCN(CC(=O)N1CCN(CC(=O)NC(C)C)CC1)C(=O)[O-] ZINC000739392712 603375859 /nfs/dbraw/zinc/37/58/59/603375859.db2.gz ADUSITQDKKITEQ-UHFFFAOYSA-N -1 0 314.386 -0.345 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739138122 603377000 /nfs/dbraw/zinc/37/70/00/603377000.db2.gz VWAVZLMRZJZEQH-VHSXEESVSA-N -1 0 319.383 -0.474 20 0 DBADRM CN(CC(=O)NC1CC1)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739623198 603385482 /nfs/dbraw/zinc/38/54/82/603385482.db2.gz FQPFKMOFKKDSKT-LLVKDONJSA-N -1 0 313.354 -0.118 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739739036 603395043 /nfs/dbraw/zinc/39/50/43/603395043.db2.gz BPJGKNDZKNKFPV-UHFFFAOYSA-N -1 0 308.294 -0.033 20 0 DBADRM CS(=O)(=O)CCNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739985683 603399211 /nfs/dbraw/zinc/39/92/11/603399211.db2.gz XRQDGEMKIAPSJM-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM CC(C)Cc1cc(NC(=O)C(=O)NCCNC(=O)[O-])n(C)n1 ZINC000738837511 603401358 /nfs/dbraw/zinc/40/13/58/603401358.db2.gz YRYNDDJLCJDPOU-UHFFFAOYSA-N -1 0 311.342 -0.059 20 0 DBADRM NC(=O)CCN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000831185284 603405718 /nfs/dbraw/zinc/40/57/18/603405718.db2.gz SCCJEYLQIDUYKC-OQPBUACISA-N -1 0 312.326 -0.390 20 0 DBADRM NC(=O)CCN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000831185282 603405900 /nfs/dbraw/zinc/40/59/00/603405900.db2.gz SCCJEYLQIDUYKC-ISVAXAHUSA-N -1 0 312.326 -0.390 20 0 DBADRM C[C@@H](CC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)NC(=O)[O-] ZINC000824621822 603406234 /nfs/dbraw/zinc/40/62/34/603406234.db2.gz HTLSTMREWVIFIW-DTWKUNHWSA-N -1 0 307.372 -0.427 20 0 DBADRM CC(C)[C@H](CNC(=O)CCN1CCCS1(=O)=O)NC(=O)[O-] ZINC000738775574 603408997 /nfs/dbraw/zinc/40/89/97/603408997.db2.gz HQOYRWOQQQGABM-JTQLQIEISA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)[C@@H](CNC(=O)CN1CCCS1(=O)=O)NC(=O)[O-] ZINC000738775894 603409039 /nfs/dbraw/zinc/40/90/39/603409039.db2.gz COWVDDNMNYKGNQ-SECBINFHSA-N -1 0 307.372 -0.570 20 0 DBADRM COCCN1C[C@H](C(=O)NC[C@H](NC(=O)[O-])C(C)C)CC1=O ZINC000739831072 603410227 /nfs/dbraw/zinc/41/02/27/603410227.db2.gz YDRMOLIPSHDEME-MNOVXSKESA-N -1 0 315.370 -0.110 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CCN(C(=O)[O-])C[C@@H]2C)cn1 ZINC000740230787 603417167 /nfs/dbraw/zinc/41/71/67/603417167.db2.gz FGFNIPSBANXCNC-QMMMGPOBSA-N -1 0 307.310 -0.066 20 0 DBADRM CC(C)[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)NC(=O)[O-] ZINC000738777652 603417264 /nfs/dbraw/zinc/41/72/64/603417264.db2.gz MCFZAGOKPNVEQN-JTQLQIEISA-N -1 0 321.399 -0.875 20 0 DBADRM CCc1cc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)n(C)n1 ZINC000739535538 603418099 /nfs/dbraw/zinc/41/80/99/603418099.db2.gz AJPIYAMHUUWVMD-VIFPVBQESA-N -1 0 309.326 -0.211 20 0 DBADRM CCn1cc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)ccc1=O ZINC000739566014 603419793 /nfs/dbraw/zinc/41/97/93/603419793.db2.gz FSANYZOAUGZXJT-SNVBAGLBSA-N -1 0 322.321 -0.325 20 0 DBADRM CCN(CC(=O)NCc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000739393843 603423442 /nfs/dbraw/zinc/42/34/42/603423442.db2.gz HENRHUORMVGMSV-UHFFFAOYSA-N -1 0 315.351 -0.050 20 0 DBADRM CN1C[C@H](NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CCC1=O ZINC000739724330 603427285 /nfs/dbraw/zinc/42/72/85/603427285.db2.gz PVPZGJKYYKIYGB-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NN1CC(=O)NC1=O ZINC000832757492 603433828 /nfs/dbraw/zinc/43/38/28/603433828.db2.gz GCIRCCJVCAJHAS-VIFPVBQESA-N -1 0 306.278 -0.552 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)n1 ZINC000739600982 603434675 /nfs/dbraw/zinc/43/46/75/603434675.db2.gz WHKNWSKHPATOKG-QMMMGPOBSA-N -1 0 310.314 -0.695 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])n1 ZINC000739599420 603434751 /nfs/dbraw/zinc/43/47/51/603434751.db2.gz JFMOPCNFTAQZJI-BDAKNGLRSA-N -1 0 324.341 -0.259 20 0 DBADRM COC(=O)[C@]1(NC(=O)C[C@H]2CCCN2C(=O)[O-])CCOC1 ZINC000828624031 603441592 /nfs/dbraw/zinc/44/15/92/603441592.db2.gz KGEBSSQQIYRILB-RNCFNFMXSA-N -1 0 300.311 -0.033 20 0 DBADRM COC(=O)[C@]1(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCOC1 ZINC000828624127 603441773 /nfs/dbraw/zinc/44/17/73/603441773.db2.gz LFYIAFBWQZWBKK-RYUDHWBXSA-N -1 0 304.274 -0.473 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)OCCCN1CCOCC1 ZINC000831542317 603441910 /nfs/dbraw/zinc/44/19/10/603441910.db2.gz UTVXJBLZOFJHTH-UHFFFAOYSA-N -1 0 302.327 -0.369 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCN(CCn2cncn2)CC1 ZINC000826750190 603450305 /nfs/dbraw/zinc/45/03/05/603450305.db2.gz GYWBZJUSKWERRQ-LBPRGKRZSA-N -1 0 324.385 -0.141 20 0 DBADRM Nc1nc(N)nc(COC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)n1 ZINC000831265310 603455413 /nfs/dbraw/zinc/45/54/13/603455413.db2.gz GTRRIRJUHSGRDY-RQJHMYQMSA-N -1 0 310.314 -0.094 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000832263216 603459002 /nfs/dbraw/zinc/45/90/02/603459002.db2.gz QQWCXYKKVAEMLH-OPRDCNLKSA-N -1 0 304.368 -0.026 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000825177197 603460849 /nfs/dbraw/zinc/46/08/49/603460849.db2.gz ICUNGCZGLSKTDV-XHNCKOQMSA-N -1 0 307.372 -0.571 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000825177194 603461141 /nfs/dbraw/zinc/46/11/41/603461141.db2.gz ICUNGCZGLSKTDV-CIUDSAMLSA-N -1 0 307.372 -0.571 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000827519290 603462683 /nfs/dbraw/zinc/46/26/83/603462683.db2.gz SOMLQPCVQVZNDP-KXUCPTDWSA-N -1 0 321.399 -0.181 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCN(C)C(=O)[O-])cn1C ZINC000828760723 603468695 /nfs/dbraw/zinc/46/86/95/603468695.db2.gz HUAWDBFBHXGWAI-UHFFFAOYSA-N -1 0 319.339 -0.300 20 0 DBADRM Cc1nc([C@@H]2CN(C(=O)N[C@@H]3CCN(C(=O)[O-])C3)CCO2)n[nH]1 ZINC000830678889 603482467 /nfs/dbraw/zinc/48/24/67/603482467.db2.gz RRAPWAUJZCNRQD-ZJUUUORDSA-N -1 0 324.341 -0.052 20 0 DBADRM CN(CC(=O)NCC(=O)N1CCCC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828102295 603485477 /nfs/dbraw/zinc/48/54/77/603485477.db2.gz IQCOXAZHNJSFTO-NSHDSACASA-N -1 0 312.370 -0.591 20 0 DBADRM CN(C(=O)CN1CC(=O)NC1=O)C1CCC(NC(=O)[O-])CC1 ZINC000827765725 603485889 /nfs/dbraw/zinc/48/58/89/603485889.db2.gz UBZQVSWGNDCHIH-UHFFFAOYSA-N -1 0 312.326 -0.425 20 0 DBADRM CC(=O)N1CCN(C(=O)CN(C)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000823556019 603487796 /nfs/dbraw/zinc/48/77/96/603487796.db2.gz JFSVSOJBQNKOFN-LBPRGKRZSA-N -1 0 312.370 -0.639 20 0 DBADRM CC(=O)N1CCN(C(=O)CN(C)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000823556016 603487861 /nfs/dbraw/zinc/48/78/61/603487861.db2.gz JFSVSOJBQNKOFN-GFCCVEGCSA-N -1 0 312.370 -0.639 20 0 DBADRM CC1(O)CCC(NC(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000825755996 603490437 /nfs/dbraw/zinc/49/04/37/603490437.db2.gz ZNZGHOXESWMMMG-UHFFFAOYSA-N -1 0 313.354 -0.382 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000828902485 603490651 /nfs/dbraw/zinc/49/06/51/603490651.db2.gz FONBUIKKRNQZAX-ZJUUUORDSA-N -1 0 316.358 -0.469 20 0 DBADRM COC(=O)c1cc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cn1C ZINC000828749638 603490929 /nfs/dbraw/zinc/49/09/29/603490929.db2.gz FUELRLWWPANGDC-RKDXNWHRSA-N -1 0 311.294 -0.137 20 0 DBADRM COC(=O)c1cn(CC(=O)NC[C@@H](NC(=O)[O-])C(C)C)nn1 ZINC000828804819 603492444 /nfs/dbraw/zinc/49/24/44/603492444.db2.gz RPPQOIYMQFKRGT-MRVPVSSYSA-N -1 0 313.314 -0.527 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)nn1 ZINC000828804491 603497131 /nfs/dbraw/zinc/49/71/31/603497131.db2.gz MWVUREOGONVPFD-QMMMGPOBSA-N -1 0 311.298 -0.725 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCC[C@H]2CNC(=O)[O-])nn1 ZINC000828804074 603498681 /nfs/dbraw/zinc/49/86/81/603498681.db2.gz IYANFOPOVZFMJW-QMMMGPOBSA-N -1 0 311.298 -0.677 20 0 DBADRM CN1CCN(C(=O)CCCn2cncn2)[C@@H](CNC(=O)[O-])C1 ZINC000828493714 603509419 /nfs/dbraw/zinc/50/94/19/603509419.db2.gz CCRLVEPWIOOBGX-NSHDSACASA-N -1 0 310.358 -0.532 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000827841133 603510456 /nfs/dbraw/zinc/51/04/56/603510456.db2.gz NBXPRZQTRBNZOM-SECBINFHSA-N -1 0 305.356 -0.767 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000827517909 603515719 /nfs/dbraw/zinc/51/57/19/603515719.db2.gz DVFHQAJYGAIDGV-WDEREUQCSA-N -1 0 313.354 -0.071 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)CCN2CCCS2(=O)=O)C1 ZINC000827841422 603518752 /nfs/dbraw/zinc/51/87/52/603518752.db2.gz SRMFCPFZGPLEEX-JTQLQIEISA-N -1 0 319.383 -0.377 20 0 DBADRM CN1CCN(C(=O)c2ccc(C(N)=O)cc2)[C@@H](CNC(=O)[O-])C1 ZINC000828513581 603521998 /nfs/dbraw/zinc/52/19/98/603521998.db2.gz MHIIPPPKEAPUPW-LBPRGKRZSA-N -1 0 320.349 -0.191 20 0 DBADRM CN1CCN(C(=O)c2ccc(C(N)=O)cn2)[C@H](CNC(=O)[O-])C1 ZINC000828513870 603522585 /nfs/dbraw/zinc/52/25/85/603522585.db2.gz RAYAABXOQQAZFP-SNVBAGLBSA-N -1 0 321.337 -0.796 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000823749320 603549768 /nfs/dbraw/zinc/54/97/68/603549768.db2.gz VORFVHXQXNPZMB-JTQLQIEISA-N -1 0 312.370 -0.463 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)COCCNC(=O)[O-])CCO2)cn1 ZINC000831000190 603550080 /nfs/dbraw/zinc/55/00/80/603550080.db2.gz UMSJPWOLLTVSQB-NSHDSACASA-N -1 0 312.326 -0.396 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000824369982 603552335 /nfs/dbraw/zinc/55/23/35/603552335.db2.gz XSNNVFYZEPQBSX-NSHDSACASA-N -1 0 314.386 -0.347 20 0 DBADRM CCOC(=O)C1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000827295838 603553943 /nfs/dbraw/zinc/55/39/43/603553943.db2.gz DBTABUBFABAONH-GHMZBOCLSA-N -1 0 314.338 -0.099 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000827046736 603554618 /nfs/dbraw/zinc/55/46/18/603554618.db2.gz ZTMSRFVEMCWDAM-JTQLQIEISA-N -1 0 321.399 -0.131 20 0 DBADRM Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000830800243 603559597 /nfs/dbraw/zinc/55/95/97/603559597.db2.gz WGDJZCXJDZSEIS-KXUCPTDWSA-N -1 0 309.326 -0.349 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000824823186 603560496 /nfs/dbraw/zinc/56/04/96/603560496.db2.gz DXBOIIJIFRTDFJ-RYUDHWBXSA-N -1 0 317.386 -0.616 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000828162309 603561707 /nfs/dbraw/zinc/56/17/07/603561707.db2.gz MSNRZBRGEDRHGQ-RYUDHWBXSA-N -1 0 315.370 -0.862 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000828162307 603561880 /nfs/dbraw/zinc/56/18/80/603561880.db2.gz MSNRZBRGEDRHGQ-NWDGAFQWSA-N -1 0 315.370 -0.862 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@H]1CCCN1C(=O)[O-] ZINC000828162611 603561976 /nfs/dbraw/zinc/56/19/76/603561976.db2.gz PBZMLZFVPFZJHR-VXGBXAGGSA-N -1 0 315.370 -0.720 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)CC2CN(C(=O)[O-])C2)C1 ZINC000829687342 603563008 /nfs/dbraw/zinc/56/30/08/603563008.db2.gz KSRNATSFIAHELX-SNVBAGLBSA-N -1 0 319.383 -0.474 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000828573588 603566542 /nfs/dbraw/zinc/56/65/42/603566542.db2.gz UHVAGPFMNHCVBO-VIFPVBQESA-N -1 0 307.372 -0.616 20 0 DBADRM NC(=O)C1CCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)CC1 ZINC000831179633 603583964 /nfs/dbraw/zinc/58/39/64/603583964.db2.gz XZDQNUVZBXRMIS-UHFFFAOYSA-N -1 0 310.354 -0.647 20 0 DBADRM C[C@@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)c1cnccn1 ZINC000825592801 603584575 /nfs/dbraw/zinc/58/45/75/603584575.db2.gz RNRIDSSOHCUWFO-SECBINFHSA-N -1 0 308.294 -0.097 20 0 DBADRM CN(CCn1cccn1)CN1CC2(CN(C(=O)[O-])C2)CC1=O ZINC000828345565 603589398 /nfs/dbraw/zinc/58/93/98/603589398.db2.gz DZQDGNQSTMCHRM-UHFFFAOYSA-N -1 0 307.354 -0.015 20 0 DBADRM O=C([O-])N1CC2(C1)CC(=O)N(CN1CCn3cnnc3C1)C2 ZINC000831864019 603590532 /nfs/dbraw/zinc/59/05/32/603590532.db2.gz PSUKHUOAEIWCTK-UHFFFAOYSA-N -1 0 306.326 -0.737 20 0 DBADRM CNS(=O)(=O)CC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828580114 603593389 /nfs/dbraw/zinc/59/33/89/603593389.db2.gz VGMIQJKOGAHNCU-HTQZYQBOSA-N -1 0 323.371 -0.845 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN(C)[C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000828921188 603594316 /nfs/dbraw/zinc/59/43/16/603594316.db2.gz ZUEJYSNNHIPRBD-NOZJJQNGSA-N -1 0 314.342 -0.415 20 0 DBADRM COC(=O)c1ccc(=O)n(CN(C)[C@@H]2CCN(C(=O)[O-])C2)n1 ZINC000828767137 603594555 /nfs/dbraw/zinc/59/45/55/603594555.db2.gz ULWWVOZNVYUAOM-SECBINFHSA-N -1 0 310.310 -0.329 20 0 DBADRM CN1CCN(C(=O)Nc2nncs2)[C@H](CNC(=O)[O-])C1 ZINC000828507613 603597106 /nfs/dbraw/zinc/59/71/06/603597106.db2.gz QTFGOZSGXSXLLW-SSDOTTSWSA-N -1 0 300.344 -0.046 20 0 DBADRM O=C([O-])NC1CCN(c2ccc(C(=O)NCCO)nn2)CC1 ZINC000832392301 603597703 /nfs/dbraw/zinc/59/77/03/603597703.db2.gz PHBXTVPJJFAWOQ-UHFFFAOYSA-N -1 0 309.326 -0.565 20 0 DBADRM COCCCS(=O)(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000828957402 603598983 /nfs/dbraw/zinc/59/89/83/603598983.db2.gz NFHRUOAMOWWDCQ-SNVBAGLBSA-N -1 0 309.388 -0.764 20 0 DBADRM O=C([O-])N1CCN2C(=O)N(CN3C[C@H]4CC[C@@H](C3)O4)C[C@H]2C1 ZINC000832041796 603608487 /nfs/dbraw/zinc/60/84/87/603608487.db2.gz AWCKMXZENVOJPA-UTUOFQBUSA-N -1 0 310.354 -0.093 20 0 DBADRM C[C@H](COC(=O)C1CCC2(CC1)NC(=O)NC2=O)NC(=O)[O-] ZINC000824989191 603608770 /nfs/dbraw/zinc/60/87/70/603608770.db2.gz WWGVFMSWOIFHEW-UYVLXELHSA-N -1 0 313.310 -0.046 20 0 DBADRM C[C@@H](COC(=O)C1CCC2(CC1)NC(=O)NC2=O)NC(=O)[O-] ZINC000824989190 603609160 /nfs/dbraw/zinc/60/91/60/603609160.db2.gz WWGVFMSWOIFHEW-DWHFKYGWSA-N -1 0 313.310 -0.046 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000824034397 603613751 /nfs/dbraw/zinc/61/37/51/603613751.db2.gz CRZCDOAWMYDTHI-MRVPVSSYSA-N -1 0 322.339 -0.821 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000823951880 603618433 /nfs/dbraw/zinc/61/84/33/603618433.db2.gz LJCMKSSEVHEJPT-UHFFFAOYSA-N -1 0 307.372 -0.616 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000831432665 603620820 /nfs/dbraw/zinc/62/08/20/603620820.db2.gz MEJDLMFUMWDWFZ-SECBINFHSA-N -1 0 312.278 -0.610 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2NC(=O)[O-])C1 ZINC000831239592 603622780 /nfs/dbraw/zinc/62/27/80/603622780.db2.gz IKZUPQMSFUFOLC-KXUCPTDWSA-N -1 0 319.383 -0.298 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000829688977 603628535 /nfs/dbraw/zinc/62/85/35/603628535.db2.gz YRSAIEHTSYZTDV-IVZWLZJFSA-N -1 0 319.383 -0.427 20 0 DBADRM C[C@H]1CN(C(=O)NCCN(C)C(=O)[O-])C[C@@H]1N1CCOCC1 ZINC000826001293 603630875 /nfs/dbraw/zinc/63/08/75/603630875.db2.gz LUNRHPKRKKZYFU-RYUDHWBXSA-N -1 0 314.386 -0.042 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000829683966 603639497 /nfs/dbraw/zinc/63/94/97/603639497.db2.gz ZLMFRRPCNQRZHH-UHFFFAOYSA-N -1 0 305.356 -0.910 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)[C@H]1CSCN1C(=O)[O-])CC2 ZINC000831050111 603639635 /nfs/dbraw/zinc/63/96/35/603639635.db2.gz HNTRRCRAMWKIMS-SNVBAGLBSA-N -1 0 324.362 -0.282 20 0 DBADRM C[C@H](CC(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O)NC(=O)[O-] ZINC000824637936 603640463 /nfs/dbraw/zinc/64/04/63/603640463.db2.gz WNBSNBXXTQNKTB-RBDZCENOSA-N -1 0 312.326 -0.473 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000831778449 603640457 /nfs/dbraw/zinc/64/04/57/603640457.db2.gz QQFPUEUHPZJUFQ-NXEZZACHSA-N -1 0 318.293 -0.082 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000831778189 603640589 /nfs/dbraw/zinc/64/05/89/603640589.db2.gz MFFSSJKBSRXPLR-WDEREUQCSA-N -1 0 318.293 -0.286 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000831778450 603640873 /nfs/dbraw/zinc/64/08/73/603640873.db2.gz QQFPUEUHPZJUFQ-UWVGGRQHSA-N -1 0 318.293 -0.082 20 0 DBADRM NC(=O)COc1cccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000831194126 603642295 /nfs/dbraw/zinc/64/22/95/603642295.db2.gz HBYSOLHAMWKCQT-GXSJLCMTSA-N -1 0 323.305 -0.398 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000828427263 603647196 /nfs/dbraw/zinc/64/71/96/603647196.db2.gz XSSGXLUEZVWKFY-IUCAKERBSA-N -1 0 309.326 -0.704 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCN(C)C(=O)[O-] ZINC000828579319 603648044 /nfs/dbraw/zinc/64/80/44/603648044.db2.gz KEAYYQUOXAWKGZ-VIFPVBQESA-N -1 0 322.387 -0.681 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCCNC(=O)[O-] ZINC000828579793 603648130 /nfs/dbraw/zinc/64/81/30/603648130.db2.gz QDCGUNMHVKFBLT-VIFPVBQESA-N -1 0 322.387 -0.633 20 0 DBADRM Cc1ncc2c(n1)CC[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])C2 ZINC000830812815 603648746 /nfs/dbraw/zinc/64/87/46/603648746.db2.gz KGDYNADGSJVMMY-DMDPSCGWSA-N -1 0 320.349 -0.128 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000828567042 603652514 /nfs/dbraw/zinc/65/25/14/603652514.db2.gz PIILUSCNLXLQJU-RYUDHWBXSA-N -1 0 321.333 -0.224 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCc1cn2c(n1)CCCC2 ZINC000831704150 603653365 /nfs/dbraw/zinc/65/33/65/603653365.db2.gz JHXAUAXVKHUWRR-RYUDHWBXSA-N -1 0 322.365 -0.009 20 0 DBADRM CC1N=NC(=S)N1CCNC(=O)COCCNC(=O)[O-] ZINC000830892863 603666725 /nfs/dbraw/zinc/66/67/25/603666725.db2.gz GVAGSRGHJPZOFS-UHFFFAOYSA-N -1 0 303.344 -0.724 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)C(C)(C)CNC(=O)[O-])CC1 ZINC000828496708 603672741 /nfs/dbraw/zinc/67/27/41/603672741.db2.gz YMYNTJPPUFEFMM-UHFFFAOYSA-N -1 0 314.386 -0.440 20 0 DBADRM O=C([O-])NCC1(C(=O)NCCN2C(=O)CNC2=O)CCCC1 ZINC000832438401 603674794 /nfs/dbraw/zinc/67/47/94/603674794.db2.gz PEERIZNLRPLVKD-UHFFFAOYSA-N -1 0 312.326 -0.518 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000823950404 603676892 /nfs/dbraw/zinc/67/68/92/603676892.db2.gz BNCWULLNSSXHHQ-JTQLQIEISA-N -1 0 311.342 -0.201 20 0 DBADRM NC(=O)C1(C(=O)NCCCN2CCN(C(=O)[O-])CC2)CCC1 ZINC000831166990 603679215 /nfs/dbraw/zinc/67/92/15/603679215.db2.gz GRZLDQCKUJKGLH-UHFFFAOYSA-N -1 0 312.370 -0.556 20 0 DBADRM O=C([O-])NCC1(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)CCCC1 ZINC000832433284 603680306 /nfs/dbraw/zinc/68/03/06/603680306.db2.gz MWAYVVJSRGGTLQ-AWEZNQCLSA-N -1 0 324.337 -0.375 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000824750326 603681135 /nfs/dbraw/zinc/68/11/35/603681135.db2.gz CGRCZMBDVONEPS-MRVPVSSYSA-N -1 0 324.341 -0.413 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000823749503 603681978 /nfs/dbraw/zinc/68/19/78/603681978.db2.gz ZHVFDSAMQJFUBV-JTQLQIEISA-N -1 0 312.370 -0.606 20 0 DBADRM NC(=O)Cc1csc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])n1 ZINC000831200328 603684718 /nfs/dbraw/zinc/68/47/18/603684718.db2.gz ZTMHXDACOZMHNH-RQJHMYQMSA-N -1 0 314.323 -0.777 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000829687319 603687396 /nfs/dbraw/zinc/68/73/96/603687396.db2.gz KIHXDLGLFAQBEC-DTWKUNHWSA-N -1 0 322.387 -0.729 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000737846790 603687500 /nfs/dbraw/zinc/68/75/00/603687500.db2.gz WEAWQJKSDIXYKV-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM C[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)[C@H]1CNC(=O)[O-] ZINC000825904952 603688605 /nfs/dbraw/zinc/68/86/05/603688605.db2.gz JMWSDWLGPWGAIA-IUCAKERBSA-N -1 0 312.326 -0.567 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)C(C)(C)CNC(=O)[O-])n1 ZINC000827967375 603689450 /nfs/dbraw/zinc/68/94/50/603689450.db2.gz UZLASJKXLBYHHS-UHFFFAOYSA-N -1 0 312.330 -0.401 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000832550816 603689452 /nfs/dbraw/zinc/68/94/52/603689452.db2.gz FHRTUXHQDCBZNH-VHSXEESVSA-N -1 0 319.383 -0.137 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000832550817 603689735 /nfs/dbraw/zinc/68/97/35/603689735.db2.gz FHRTUXHQDCBZNH-ZJUUUORDSA-N -1 0 319.383 -0.137 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(C)(C)CNC(=O)[O-] ZINC000828580275 603702417 /nfs/dbraw/zinc/70/24/17/603702417.db2.gz XNPHFCBDVDGWKC-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N[C@@H]2C=C[C@H](CO)C2)CC1 ZINC000831689649 603703571 /nfs/dbraw/zinc/70/35/71/603703571.db2.gz VFLNPQHKMUMGBX-NWDGAFQWSA-N -1 0 312.370 -0.482 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000826109366 603708420 /nfs/dbraw/zinc/70/84/20/603708420.db2.gz KGIJAFZSZGIBJT-HBNTYKKESA-N -1 0 315.370 -0.063 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)[C@H]3CCN(C(=O)[O-])C3)CCN2C1=O ZINC000827200071 603713374 /nfs/dbraw/zinc/71/33/74/603713374.db2.gz RCZWLRMNAABHSW-VHSXEESVSA-N -1 0 324.337 -0.519 20 0 DBADRM NC(=O)c1nccnc1C(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000831239100 603714745 /nfs/dbraw/zinc/71/47/45/603714745.db2.gz DIBXCXOWJFCSPC-UHFFFAOYSA-N -1 0 307.310 -0.305 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCCO[C@@H]1CCOC1 ZINC000831680399 603716206 /nfs/dbraw/zinc/71/62/06/603716206.db2.gz HGAFCKWMAYNPDO-HBNTYKKESA-N -1 0 302.327 -0.589 20 0 DBADRM CC(C)(NC(=O)[O-])c1noc(CN2CCN3C(=O)NC[C@@H]3C2)n1 ZINC000824029239 603717014 /nfs/dbraw/zinc/71/70/14/603717014.db2.gz AWXKXTQBCUUXPU-MRVPVSSYSA-N -1 0 324.341 -0.218 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCC(=O)Nc1ccncc1 ZINC000831433798 603717457 /nfs/dbraw/zinc/71/74/57/603717457.db2.gz VFGMABPSCGBZAS-QWRGUYRKSA-N -1 0 322.321 -0.939 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCC(=O)Nc1ccncc1 ZINC000831433799 603717506 /nfs/dbraw/zinc/71/75/06/603717506.db2.gz VFGMABPSCGBZAS-WDEREUQCSA-N -1 0 322.321 -0.939 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000831858886 603720633 /nfs/dbraw/zinc/72/06/33/603720633.db2.gz QDKVWHVGKPUUBQ-NWDGAFQWSA-N -1 0 314.338 -0.228 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])CC2 ZINC000830893353 603723555 /nfs/dbraw/zinc/72/35/55/603723555.db2.gz LFOJRSXBSVVFTD-OPRDCNLKSA-N -1 0 309.326 -0.869 20 0 DBADRM COC[C@](C)(NC(=O)COC1CN(C(=O)[O-])C1)C(=O)OC ZINC000828885536 603725214 /nfs/dbraw/zinc/72/52/14/603725214.db2.gz HJKWKDUIXFZJNV-LBPRGKRZSA-N -1 0 304.299 -0.941 20 0 DBADRM CCC(CC)(CNC(=O)c1cn(CC(N)=O)nn1)NC(=O)[O-] ZINC000826556429 603726922 /nfs/dbraw/zinc/72/69/22/603726922.db2.gz HVPWIKTXPKDZPB-UHFFFAOYSA-N -1 0 312.330 -0.680 20 0 DBADRM CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)COCCNC(=O)[O-])C1 ZINC000829665994 603731198 /nfs/dbraw/zinc/73/11/98/603731198.db2.gz YLDBAVLZAGMHOL-DTWKUNHWSA-N -1 0 309.340 -0.221 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000829675301 603734166 /nfs/dbraw/zinc/73/41/66/603734166.db2.gz VLOBTFYSGOJLSW-VIFPVBQESA-N -1 0 307.372 -0.137 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCC(=O)Nc1ccccn1 ZINC000831433009 603736056 /nfs/dbraw/zinc/73/60/56/603736056.db2.gz OREWRWMFSDJRNH-VHSXEESVSA-N -1 0 322.321 -0.360 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000824020892 603736803 /nfs/dbraw/zinc/73/68/03/603736803.db2.gz YUFUAWUCMHKMLZ-RKDXNWHRSA-N -1 0 321.399 -0.133 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000828703457 603736952 /nfs/dbraw/zinc/73/69/52/603736952.db2.gz BPAZTHVHTKNWRB-GUBZILKMSA-N -1 0 315.326 -0.553 20 0 DBADRM COCCN(CC(=O)N1CCC(NC(N)=O)CC1)C(=O)[O-] ZINC000828971502 603737131 /nfs/dbraw/zinc/73/71/31/603737131.db2.gz YFNLMDDDZQJDDF-UHFFFAOYSA-N -1 0 302.331 -0.728 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CCCNC(=O)[O-] ZINC000829689120 603737481 /nfs/dbraw/zinc/73/74/81/603737481.db2.gz ZKEMJPOBSRTCFH-NXEZZACHSA-N -1 0 321.399 -0.132 20 0 DBADRM CC(C)(C(=O)N1CC(n2cncn2)C1)N1CCN(C(=O)[O-])CC1 ZINC000823737000 603738526 /nfs/dbraw/zinc/73/85/26/603738526.db2.gz CXVSCANPUUIAET-UHFFFAOYSA-N -1 0 322.369 -0.264 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])CC2 ZINC000830799361 603738993 /nfs/dbraw/zinc/73/89/93/603738993.db2.gz MUPFBMSAOWMIBF-OPRDCNLKSA-N -1 0 309.326 -0.869 20 0 DBADRM COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000828633440 603739196 /nfs/dbraw/zinc/73/91/96/603739196.db2.gz WCISHILSDSCPGD-BBBLOLIVSA-N -1 0 300.311 -0.489 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])n1 ZINC000828698883 603743275 /nfs/dbraw/zinc/74/32/75/603743275.db2.gz ABPZQKDYULMBKK-YUMQZZPRSA-N -1 0 312.282 -0.892 20 0 DBADRM C[C@]1(NC(=O)COC2CN(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC000825755645 603743387 /nfs/dbraw/zinc/74/33/87/603743387.db2.gz SFOHWUMEIJQDHH-NSHDSACASA-N -1 0 306.340 -0.941 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N(C)CCS(C)(=O)=O ZINC000826100345 603743678 /nfs/dbraw/zinc/74/36/78/603743678.db2.gz IHHVPTRKRIIPJA-IUCAKERBSA-N -1 0 322.383 -0.007 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N(C)CCS(C)(=O)=O ZINC000826100347 603743718 /nfs/dbraw/zinc/74/37/18/603743718.db2.gz IHHVPTRKRIIPJA-RKDXNWHRSA-N -1 0 322.383 -0.007 20 0 DBADRM COCCN(CC(=O)N1CCOC[C@@H]1C(=O)OC)C(=O)[O-] ZINC000828970592 603743771 /nfs/dbraw/zinc/74/37/71/603743771.db2.gz BDYFPZWCGSYMST-SECBINFHSA-N -1 0 304.299 -0.987 20 0 DBADRM CC(C)(C(=O)N1CCNC(=O)CC1)N1CCN(C(=O)[O-])CC1 ZINC000823738273 603745793 /nfs/dbraw/zinc/74/57/93/603745793.db2.gz UHVGJKDSSMWLSY-UHFFFAOYSA-N -1 0 312.370 -0.591 20 0 DBADRM NC(=O)c1cccc(CNC(=O)COC2CN(C(=O)[O-])C2)c1 ZINC000831234835 603746158 /nfs/dbraw/zinc/74/61/58/603746158.db2.gz XEBYJIZFTKSCJW-UHFFFAOYSA-N -1 0 307.306 -0.220 20 0 DBADRM Cn1cc(N2CCC[C@H](NC(=O)NCCNC(=O)[O-])C2=O)cn1 ZINC000831008809 603748242 /nfs/dbraw/zinc/74/82/42/603748242.db2.gz CJTFUWVLWTXIMT-JTQLQIEISA-N -1 0 324.341 -0.518 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)COC1CN(C(=O)[O-])C1 ZINC000830979513 603752917 /nfs/dbraw/zinc/75/29/17/603752917.db2.gz YJRDQDHLAVEUTR-UHFFFAOYSA-N -1 0 315.355 -0.859 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)[C@H]1CSC(=O)N1 ZINC000828312729 603754754 /nfs/dbraw/zinc/75/47/54/603754754.db2.gz RGHWQLIUDBMRMK-SECBINFHSA-N -1 0 316.383 -0.435 20 0 DBADRM C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])N1CCOCC1 ZINC000825081545 603757019 /nfs/dbraw/zinc/75/70/19/603757019.db2.gz FECDEQAUGHETJL-USZNOCQGSA-N -1 0 315.370 -0.675 20 0 DBADRM CC(C)c1nnc2n1CCN(C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])C2 ZINC000824511535 603759346 /nfs/dbraw/zinc/75/93/46/603759346.db2.gz WMSZMXLAOCFMQN-NXEZZACHSA-N -1 0 323.353 -0.143 20 0 DBADRM COC(=O)C1CCC(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000828625291 603761589 /nfs/dbraw/zinc/76/15/89/603761589.db2.gz YNYVKMPBIZOIEI-TVUZUIDESA-N -1 0 314.338 -0.052 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000824034539 603761789 /nfs/dbraw/zinc/76/17/89/603761789.db2.gz DVRSRGGJPSAZRY-QWRGUYRKSA-N -1 0 315.370 -0.985 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000827480653 603765233 /nfs/dbraw/zinc/76/52/33/603765233.db2.gz PIMVSRHTHMJMNW-VIFPVBQESA-N -1 0 322.387 -0.681 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000827480652 603765255 /nfs/dbraw/zinc/76/52/55/603765255.db2.gz PIMVSRHTHMJMNW-SECBINFHSA-N -1 0 322.387 -0.681 20 0 DBADRM COC(=O)[C@@H]1CCCCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000828633097 603765295 /nfs/dbraw/zinc/76/52/95/603765295.db2.gz UWCXOWYGSVFKQX-JTQLQIEISA-N -1 0 300.311 -0.081 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)C1CCOCC1 ZINC000831178963 603766832 /nfs/dbraw/zinc/76/68/32/603766832.db2.gz OKMYZBHNTWTOSH-WDEREUQCSA-N -1 0 313.354 -0.227 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000829670049 603771499 /nfs/dbraw/zinc/77/14/99/603771499.db2.gz TYKWZKRKSGKZNL-VIFPVBQESA-N -1 0 304.368 -0.073 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC000829668881 603771617 /nfs/dbraw/zinc/77/16/17/603771617.db2.gz IEQCZHKNOLMBJI-QMMMGPOBSA-N -1 0 322.408 -0.020 20 0 DBADRM C[C@H](C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O)N1C(=O)CCC1=O ZINC000823731271 603771913 /nfs/dbraw/zinc/77/19/13/603771913.db2.gz LEFOBXNQEUKJOQ-APPZFPTMSA-N -1 0 312.278 -0.612 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@]2(C)CCN(C(=O)[O-])C2)C1 ZINC000827960818 603772511 /nfs/dbraw/zinc/77/25/11/603772511.db2.gz MCRCBAVGCVEAPT-CQSZACIVSA-N -1 0 313.354 -0.308 20 0 DBADRM CC[C@@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000826594625 603773905 /nfs/dbraw/zinc/77/39/05/603773905.db2.gz XCNBTFUEYAKMDR-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM CC[C@@H](NC(=O)CN(CC)C(=O)[O-])C(=O)N1CCOCC1 ZINC000826601868 603773947 /nfs/dbraw/zinc/77/39/47/603773947.db2.gz YJONSKRDOLFRMQ-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)cnn1C ZINC000829876005 603776055 /nfs/dbraw/zinc/77/60/55/603776055.db2.gz CDQLLGWNRJBIKR-QMMMGPOBSA-N -1 0 309.326 -0.122 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N(C)[C@@H](C)CNC(=O)[O-])n1C ZINC000830887152 603779709 /nfs/dbraw/zinc/77/97/09/603779709.db2.gz AMONCJQJJWRCIZ-VIFPVBQESA-N -1 0 312.374 -0.330 20 0 DBADRM CNC(=O)Cc1noc(CN(C)C2CCN(C(=O)[O-])CC2)n1 ZINC000828547436 603780118 /nfs/dbraw/zinc/78/01/18/603780118.db2.gz QOBVMAQDQURXHQ-UHFFFAOYSA-N -1 0 311.342 -0.068 20 0 DBADRM CNC(=O)Cc1noc(CN2CC[C@H](CN(C)C(=O)[O-])C2)n1 ZINC000828547799 603780995 /nfs/dbraw/zinc/78/09/95/603780995.db2.gz XHUOPKUPSMEQHT-SECBINFHSA-N -1 0 311.342 -0.210 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)o1 ZINC000832684606 603785649 /nfs/dbraw/zinc/78/56/49/603785649.db2.gz UENHFLSWPGTWDH-MRVPVSSYSA-N -1 0 308.294 -0.103 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000829674186 603785697 /nfs/dbraw/zinc/78/56/97/603785697.db2.gz OJFRXVJTPSNRJW-SECBINFHSA-N -1 0 323.371 -0.901 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000831273694 603786589 /nfs/dbraw/zinc/78/65/89/603786589.db2.gz SMWDRKFAPUHSBO-VHSXEESVSA-N -1 0 321.337 -0.389 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCN1CCSCC1 ZINC000831689686 603789079 /nfs/dbraw/zinc/78/90/79/603789079.db2.gz VWKGARVPOJXKMH-VHSXEESVSA-N -1 0 303.384 -0.735 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)CC1CN(C(=O)[O-])C1 ZINC000831246608 603789969 /nfs/dbraw/zinc/78/99/69/603789969.db2.gz RJNHJHWLEVHJLC-SECBINFHSA-N -1 0 305.356 -0.734 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000827481914 603790581 /nfs/dbraw/zinc/79/05/81/603790581.db2.gz YYBCIMUVVRZEAI-SNVBAGLBSA-N -1 0 312.319 -0.439 20 0 DBADRM CC[C@@H](NC(=O)C[C@@H](C)NC(=O)[O-])C(=O)N1CCOCC1 ZINC000826591484 603790751 /nfs/dbraw/zinc/79/07/51/603790751.db2.gz AHDLIJCTJSBOBD-NXEZZACHSA-N -1 0 301.343 -0.214 20 0 DBADRM CC[C@@H](NC(=O)CCCNC(=O)[O-])C(=O)N1CCOCC1 ZINC000826601588 603790757 /nfs/dbraw/zinc/79/07/57/603790757.db2.gz UGVHMFYTJVTGMT-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000828599899 603791239 /nfs/dbraw/zinc/79/12/39/603791239.db2.gz FMHGGAMFAIOSPB-IUCAKERBSA-N -1 0 308.356 -0.143 20 0 DBADRM C[C@@H]1CN(C(=O)NCCN2C(=O)CCC2=O)CCN1C(=O)[O-] ZINC000826002616 603794341 /nfs/dbraw/zinc/79/43/41/603794341.db2.gz RUGDXKWDJBRLDC-SECBINFHSA-N -1 0 312.326 -0.471 20 0 DBADRM CO[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])C(F)(F)F ZINC000828836182 603796263 /nfs/dbraw/zinc/79/62/63/603796263.db2.gz MRLDADUDYUSEEA-FSDSQADBSA-N -1 0 300.233 -0.207 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)NCc2nnnn2C2CC2)C1 ZINC000831730430 603796631 /nfs/dbraw/zinc/79/66/31/603796631.db2.gz HLDSUSLFWQNYPU-MRVPVSSYSA-N -1 0 309.330 -0.050 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N(C)CCN1CCCS1(=O)=O ZINC000824130647 603803341 /nfs/dbraw/zinc/80/33/41/603803341.db2.gz ZSJTUDDTIMMZOP-JTQLQIEISA-N -1 0 321.399 -0.228 20 0 DBADRM CNC(=O)c1ccc(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)cn1 ZINC000828557726 603805887 /nfs/dbraw/zinc/80/58/87/603805887.db2.gz SANCAXDGPJYHRU-LLVKDONJSA-N -1 0 321.289 -0.081 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000828640130 603808018 /nfs/dbraw/zinc/80/80/18/603808018.db2.gz JSGQXEHTPAOBGB-ZJUUUORDSA-N -1 0 300.311 -0.081 20 0 DBADRM Cn1cc([C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])C2)cn1 ZINC000830995330 603808405 /nfs/dbraw/zinc/80/84/05/603808405.db2.gz YZJQPWYFPNWZFW-USWWRNFRSA-N -1 0 308.338 -0.151 20 0 DBADRM COCCCn1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])n1 ZINC000828964211 603809378 /nfs/dbraw/zinc/80/93/78/603809378.db2.gz PDGCIRRDIZPVTQ-VHSXEESVSA-N -1 0 312.326 -0.029 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000823568617 603810725 /nfs/dbraw/zinc/81/07/25/603810725.db2.gz QSBBQDHMNQAIEN-WPRPVWTQSA-N -1 0 316.335 -0.228 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC000826115474 603810907 /nfs/dbraw/zinc/81/09/07/603810907.db2.gz GUUFJUVCMDXUME-GARJFASQSA-N -1 0 315.370 -0.063 20 0 DBADRM O=C([O-])N1CC(CC(=O)N2CCO[C@@H](Cn3cncn3)C2)C1 ZINC000831841989 603816180 /nfs/dbraw/zinc/81/61/80/603816180.db2.gz LCEVYRJWMYRLEC-LLVKDONJSA-N -1 0 309.326 -0.495 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000825778936 603818630 /nfs/dbraw/zinc/81/86/30/603818630.db2.gz UGUAISOAOZFHBV-XFWSIPNHSA-N -1 0 320.367 -0.866 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)CC2CN(C(=O)[O-])C2)C1 ZINC000831239961 603821308 /nfs/dbraw/zinc/82/13/08/603821308.db2.gz KLQONOPEEYMIJD-SECBINFHSA-N -1 0 305.356 -0.734 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)CC2CN(C(=O)[O-])C2)CCO1 ZINC000828663550 603823352 /nfs/dbraw/zinc/82/33/52/603823352.db2.gz OJFMKKUDVAYKBA-JTQLQIEISA-N -1 0 300.311 -0.223 20 0 DBADRM COC(=O)NCCCC(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000828712830 603824860 /nfs/dbraw/zinc/82/48/60/603824860.db2.gz AEJYSLBYKRISMJ-VIFPVBQESA-N -1 0 302.283 -0.013 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000831806344 603825502 /nfs/dbraw/zinc/82/55/02/603825502.db2.gz NXDIZPVUKXCOEQ-NXEZZACHSA-N -1 0 318.293 -0.286 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=S)NCCN2CCOCC2)C1 ZINC000827875835 603828939 /nfs/dbraw/zinc/82/89/39/603828939.db2.gz JBTQXDKCSHQZMG-NSHDSACASA-N -1 0 316.427 -0.123 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN([C@@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000827881929 603832321 /nfs/dbraw/zinc/83/23/21/603832321.db2.gz JAELXPRTPJDNBY-NXEZZACHSA-N -1 0 319.321 -0.207 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCCOC1CCOCC1 ZINC000831681618 603836961 /nfs/dbraw/zinc/83/69/61/603836961.db2.gz VZZVOTQEEIXJEJ-ZYHUDNBSSA-N -1 0 316.354 -0.199 20 0 DBADRM O=C([O-])NCC(=O)N1CCc2ncnc(N3CCOCC3)c2C1 ZINC000832396595 603838183 /nfs/dbraw/zinc/83/81/83/603838183.db2.gz ASJQBQQPTGDKNF-UHFFFAOYSA-N -1 0 321.337 -0.535 20 0 DBADRM C[C@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CCN1C(=O)[O-] ZINC000825983900 603839569 /nfs/dbraw/zinc/83/95/69/603839569.db2.gz QMXIRBJFRSFMCK-QMMMGPOBSA-N -1 0 312.326 -0.473 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C[C@H]1C ZINC000825528513 603845473 /nfs/dbraw/zinc/84/54/73/603845473.db2.gz OOULCMFOGJKDGN-RHYQMDGZSA-N -1 0 315.370 -0.987 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000828684417 603847419 /nfs/dbraw/zinc/84/74/19/603847419.db2.gz VAAYOXHTJCSWTB-YIZRAAEISA-N -1 0 316.310 -0.356 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)C(=O)NC(N)=O ZINC000825559432 603855386 /nfs/dbraw/zinc/85/53/86/603855386.db2.gz DBBUWUDCFQIPCN-FXQIFTODSA-N -1 0 301.299 -0.061 20 0 DBADRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)N1CCS(=O)(=O)CC1 ZINC000832467535 603858335 /nfs/dbraw/zinc/85/83/35/603858335.db2.gz PMNSHUCOVTZXCR-NXEZZACHSA-N -1 0 319.383 -0.137 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000831901307 603866535 /nfs/dbraw/zinc/86/65/35/603866535.db2.gz GKKQEXMDOFIXHN-NSHDSACASA-N -1 0 323.346 -0.770 20 0 DBADRM C[C@]1(C(=O)N2CCC3(CC2)NC(=O)NC3=O)CCN(C(=O)[O-])C1 ZINC000825650906 603871159 /nfs/dbraw/zinc/87/11/59/603871159.db2.gz SADSTGWIXTYBEF-ZDUSSCGKSA-N -1 0 324.337 -0.423 20 0 DBADRM CN(C(=O)CN1C(=O)NC(=O)C1(C)C)[C@H]1CCN(C(=O)[O-])C1 ZINC000827766044 603872355 /nfs/dbraw/zinc/87/23/55/603872355.db2.gz YXXWZTPZTIQASZ-QMMMGPOBSA-N -1 0 312.326 -0.473 20 0 DBADRM C[C@]1(C(=O)NCCC(=O)N2CCOCC2)CCN(C(=O)[O-])C1 ZINC000825663435 603873525 /nfs/dbraw/zinc/87/35/25/603873525.db2.gz OYRFOMHLVCAWDM-AWEZNQCLSA-N -1 0 313.354 -0.259 20 0 DBADRM Cc1nc(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)no1 ZINC000830746809 603873721 /nfs/dbraw/zinc/87/37/21/603873721.db2.gz SMRKAJOBJWFLRD-UHFFFAOYSA-N -1 0 309.282 -0.058 20 0 DBADRM O=C([O-])N1CCC2(CC1)NC(=O)N(CCOCCO)C2=O ZINC000831974724 603874668 /nfs/dbraw/zinc/87/46/68/603874668.db2.gz YGVILTBNIUWOOQ-UHFFFAOYSA-N -1 0 301.299 -0.940 20 0 DBADRM O=C([O-])N1CCC2(CC1)NC(=O)N(CC(=O)N1CCC1)C2=O ZINC000831974446 603874953 /nfs/dbraw/zinc/87/49/53/603874953.db2.gz PFVOUOUJAHKPPB-UHFFFAOYSA-N -1 0 310.310 -0.717 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cnc3c2ncnc3N)CCN1C(=O)[O-] ZINC000825987859 603875915 /nfs/dbraw/zinc/87/59/15/603875915.db2.gz GQBHIMAUYAOMGV-QMMMGPOBSA-N -1 0 319.325 -0.381 20 0 DBADRM CN(C(=S)NCCNS(C)(=O)=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827951688 603879034 /nfs/dbraw/zinc/87/90/34/603879034.db2.gz YOMKRNGJLYUYMW-QMMMGPOBSA-N -1 0 324.428 -0.906 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000830979145 603882643 /nfs/dbraw/zinc/88/26/43/603882643.db2.gz SMTJQWOTQNLTHL-LLVKDONJSA-N -1 0 317.346 -0.146 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000824034348 603883737 /nfs/dbraw/zinc/88/37/37/603883737.db2.gz BMZSHQGVACHLIB-CQSZACIVSA-N -1 0 317.361 -0.007 20 0 DBADRM CNC(=O)CC1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000828531866 603886469 /nfs/dbraw/zinc/88/64/69/603886469.db2.gz KZRZDYTYFAYPMP-UHFFFAOYSA-N -1 0 301.343 -0.355 20 0 DBADRM CC1(C)CN(C(=O)[O-])CCN1S(=O)(=O)N1CCOCC1 ZINC000825733825 603893259 /nfs/dbraw/zinc/89/32/59/603893259.db2.gz HJGCWFJERADQOZ-UHFFFAOYSA-N -1 0 307.372 -0.362 20 0 DBADRM C[C@@H](OC(=O)[C@H]1COCCN1C(=O)[O-])C(=O)Nc1ncccn1 ZINC000825570887 603901584 /nfs/dbraw/zinc/90/15/84/603901584.db2.gz LULVTWIBRVKPTL-RKDXNWHRSA-N -1 0 324.293 -0.274 20 0 DBADRM CN1C(=O)N[C@@]2(CCN(C(=O)[C@]3(C)CCN(C(=O)[O-])C3)C2)C1=O ZINC000828445111 603906205 /nfs/dbraw/zinc/90/62/05/603906205.db2.gz JZOYADAFNTYIQQ-ZIAGYGMSSA-N -1 0 324.337 -0.471 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828267116 603906368 /nfs/dbraw/zinc/90/63/68/603906368.db2.gz OVPTVJBAZZUSSQ-CABZTGNLSA-N -1 0 322.358 -0.029 20 0 DBADRM CCCCn1nnnc1COC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000826853453 603907261 /nfs/dbraw/zinc/90/72/61/603907261.db2.gz OFGXMIIJTPDPEI-VIFPVBQESA-N -1 0 313.314 -0.105 20 0 DBADRM CN1CC[C@H](OC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1=O ZINC000828472782 603918354 /nfs/dbraw/zinc/91/83/54/603918354.db2.gz QVIMMAYZDGCVEL-UWVGGRQHSA-N -1 0 300.311 -0.081 20 0 DBADRM CN1CC[C@H](OC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1=O ZINC000828472787 603918546 /nfs/dbraw/zinc/91/85/46/603918546.db2.gz QVIMMAYZDGCVEL-ZJUUUORDSA-N -1 0 300.311 -0.081 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)OC ZINC000828646404 603921279 /nfs/dbraw/zinc/92/12/79/603921279.db2.gz IPXCFWAKDKGAOX-JVXZTZIISA-N -1 0 320.273 -0.701 20 0 DBADRM CCCC[C@@H](CNC(=O)[O-])NS(=O)(=O)N1CCOCC1 ZINC000826814806 603921509 /nfs/dbraw/zinc/92/15/09/603921509.db2.gz NWSGSEADPPITGU-JTQLQIEISA-N -1 0 309.388 -0.021 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C[C@H]1C ZINC000825527392 603925926 /nfs/dbraw/zinc/92/59/26/603925926.db2.gz CODUTOOPZGDCNL-UHIISALHSA-N -1 0 317.361 -0.008 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)C(=O)OC ZINC000828646298 603942190 /nfs/dbraw/zinc/94/21/90/603942190.db2.gz HHYAFIFXKRYVHD-VGMNWLOBSA-N -1 0 316.310 -0.356 20 0 DBADRM CC1(C)CN(C(=O)[O-])CCN1C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000825724499 603946197 /nfs/dbraw/zinc/94/61/97/603946197.db2.gz KECLQYRVYOTFAI-QMMMGPOBSA-N -1 0 312.326 -0.425 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000828683127 603948875 /nfs/dbraw/zinc/94/88/75/603948875.db2.gz GXLAWGVUEUMBKS-RKDXNWHRSA-N -1 0 316.310 -0.260 20 0 DBADRM CNC(=O)NC(=O)[C@@H](C)OC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000828552432 603948931 /nfs/dbraw/zinc/94/89/31/603948931.db2.gz QRNGFUAKUSHBBJ-SFYZADRCSA-N -1 0 301.299 -0.094 20 0 DBADRM C[C@@]1(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CCN(C(=O)[O-])C1 ZINC000825651313 603949257 /nfs/dbraw/zinc/94/92/57/603949257.db2.gz XJSSYDYOJANEJZ-BXKDBHETSA-N -1 0 319.383 -0.344 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NC[C@@H](O)COCC2CC2)C1 ZINC000831894813 603950894 /nfs/dbraw/zinc/95/08/94/603950894.db2.gz JRRBGBOTKNGDRK-MFKMUULPSA-N -1 0 304.318 -0.018 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000825003000 603958623 /nfs/dbraw/zinc/95/86/23/603958623.db2.gz XYYXVZACOKIOCB-LMLFDSFASA-N -1 0 302.327 -0.590 20 0 DBADRM Cn1nccc1C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000831058285 603959224 /nfs/dbraw/zinc/95/92/24/603959224.db2.gz DWFCUQUAPLVIFM-UHFFFAOYSA-N -1 0 320.313 -0.410 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)C1 ZINC000832239747 603962251 /nfs/dbraw/zinc/96/22/51/603962251.db2.gz PLRVBSFQMINWJA-MRTMQBJTSA-N -1 0 309.322 -0.171 20 0 DBADRM CN(CC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)C(=O)[O-] ZINC000828102866 603962632 /nfs/dbraw/zinc/96/26/32/603962632.db2.gz QLUDUSCGODJERC-UHFFFAOYSA-N -1 0 319.383 -0.331 20 0 DBADRM CCCC[C@@H](CNC(=O)[O-])NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000826787371 603963938 /nfs/dbraw/zinc/96/39/38/603963938.db2.gz GHICJHLFXYSRQA-VIFPVBQESA-N -1 0 312.326 -0.109 20 0 DBADRM CN(C)c1cc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)ccn1 ZINC000828055106 603966205 /nfs/dbraw/zinc/96/62/05/603966205.db2.gz CYFFCLZESDBMCK-UHFFFAOYSA-N -1 0 321.337 -0.092 20 0 DBADRM C[C@@H](CC(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O)NC(=O)[O-] ZINC000824717681 603976009 /nfs/dbraw/zinc/97/60/09/603976009.db2.gz BDUMTVAKSCPTDU-DTWKUNHWSA-N -1 0 315.326 -0.558 20 0 DBADRM C[C@H](CC(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O)NC(=O)[O-] ZINC000824717683 603976012 /nfs/dbraw/zinc/97/60/12/603976012.db2.gz BDUMTVAKSCPTDU-RKDXNWHRSA-N -1 0 315.326 -0.558 20 0 DBADRM C[C@H](NC(=O)COC1CN(C(=O)[O-])C1)c1nnc2n1CCC2 ZINC000825126591 603984978 /nfs/dbraw/zinc/98/49/78/603984978.db2.gz GPBVEHRYNYSYQR-QMMMGPOBSA-N -1 0 309.326 -0.220 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)CN(CC1CC1)C(=O)[O-] ZINC000827248813 603986998 /nfs/dbraw/zinc/98/69/98/603986998.db2.gz FXAHWPZIJXMJPB-UHFFFAOYSA-N -1 0 301.299 -0.235 20 0 DBADRM CNC(=O)NC(=O)[C@@H](C)OC(=O)CN(CC1CC1)C(=O)[O-] ZINC000828552606 603989477 /nfs/dbraw/zinc/98/94/77/603989477.db2.gz VBVQJUHIDPBAPS-SSDOTTSWSA-N -1 0 301.299 -0.236 20 0 DBADRM CC1(C)CN(CCNC(=O)COC2CN(C(=O)[O-])C2)CCO1 ZINC000825734945 603993239 /nfs/dbraw/zinc/99/32/39/603993239.db2.gz SNTLZPMVSSPBEV-UHFFFAOYSA-N -1 0 315.370 -0.408 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)COC1CN(C(=O)[O-])C1 ZINC000823772997 603996818 /nfs/dbraw/zinc/99/68/18/603996818.db2.gz QWRFOZRNQLNOMK-UHFFFAOYSA-N -1 0 301.343 -0.214 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@H]3CCCN3C(=O)[O-])CC2=O)cn1 ZINC000831008811 603997683 /nfs/dbraw/zinc/99/76/83/603997683.db2.gz CLYNMSCBEQZOHV-LLVKDONJSA-N -1 0 321.337 -0.262 20 0 DBADRM NC(=O)CC[C@H]1CCCN(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000831183699 603998436 /nfs/dbraw/zinc/99/84/36/603998436.db2.gz ASBQTGKAVHULKT-SNVBAGLBSA-N -1 0 313.354 -0.131 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC[C@@H](n3cncn3)C2)C1 ZINC000831858820 604002479 /nfs/dbraw/zinc/00/24/79/604002479.db2.gz OVIQBEWYFYTBLD-SNVBAGLBSA-N -1 0 309.326 -0.180 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC[C@H](n3cncn3)C2)C1 ZINC000831858819 604002843 /nfs/dbraw/zinc/00/28/43/604002843.db2.gz OVIQBEWYFYTBLD-JTQLQIEISA-N -1 0 309.326 -0.180 20 0 DBADRM CN(CCCNC(=O)NCc1ccc(C(N)=O)nc1)C(=O)[O-] ZINC000828293175 604003352 /nfs/dbraw/zinc/00/33/52/604003352.db2.gz JVHCJHKMLHVFJN-UHFFFAOYSA-N -1 0 309.326 -0.020 20 0 DBADRM COC[C@](C)(O)CNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000828896685 604003488 /nfs/dbraw/zinc/00/34/88/604003488.db2.gz LIVBXRNMKPLWES-GXFFZTMASA-N -1 0 304.343 -0.341 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2CC[C@H](CNC(=O)[O-])C2)cn1 ZINC000831222672 604004694 /nfs/dbraw/zinc/00/46/94/604004694.db2.gz OLXQPYXCWJEGLI-SNVBAGLBSA-N -1 0 321.337 -0.020 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000831199742 604005599 /nfs/dbraw/zinc/00/55/99/604005599.db2.gz ICIHIHSYDOMOCT-JGVFFNPUSA-N -1 0 300.315 -0.486 20 0 DBADRM NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)COC1CN(C(=O)[O-])C1 ZINC000831173747 604007393 /nfs/dbraw/zinc/00/73/93/604007393.db2.gz NZMDYBWZPYXUFP-GHMZBOCLSA-N -1 0 313.354 -0.084 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCCN1CCSCC1 ZINC000831533526 604008249 /nfs/dbraw/zinc/00/82/49/604008249.db2.gz NFDPSKMFWLGNTG-UHFFFAOYSA-N -1 0 303.384 -0.470 20 0 DBADRM COCCN1CCN(C(=O)COC2CN(C(=O)[O-])C2)C[C@@H]1C ZINC000828989673 604010609 /nfs/dbraw/zinc/01/06/09/604010609.db2.gz AQHGVYZOIMDPTE-NSHDSACASA-N -1 0 315.370 -0.456 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000825778797 604012571 /nfs/dbraw/zinc/01/25/71/604012571.db2.gz TVVXSWNIJNQKGC-SNGHESPRSA-N -1 0 304.368 -0.267 20 0 DBADRM C[C@@H](CNC(=O)COC1CN(C(=O)[O-])C1)CN1CCOCC1 ZINC000824923277 604013907 /nfs/dbraw/zinc/01/39/07/604013907.db2.gz XPOZFGUQBZIQTH-NSHDSACASA-N -1 0 315.370 -0.550 20 0 DBADRM C[C@H]1CN(Cn2nnc3c(cnn3C)c2=O)CCN1C(=O)[O-] ZINC000826070046 604016734 /nfs/dbraw/zinc/01/67/34/604016734.db2.gz YXGUOLJVFFCMNP-QMMMGPOBSA-N -1 0 307.314 -0.833 20 0 DBADRM CN(C[C@H]1CCCN1Cn1nnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000828230313 604017209 /nfs/dbraw/zinc/01/72/09/604017209.db2.gz OCTIZMDPXNDGBQ-SECBINFHSA-N -1 0 321.341 -0.443 20 0 DBADRM NC(=O)NC1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000831207764 604020343 /nfs/dbraw/zinc/02/03/43/604020343.db2.gz DLWZUXXMKMCGKP-MRVPVSSYSA-N -1 0 302.356 -0.301 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000828645956 604034389 /nfs/dbraw/zinc/03/43/89/604034389.db2.gz DBYKVRMRXXJGHI-SECBINFHSA-N -1 0 315.326 -0.876 20 0 DBADRM O=C([O-])NCc1nnnn1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000832739452 604034962 /nfs/dbraw/zinc/03/49/62/604034962.db2.gz VRKAGJQSCWXISI-RXMQYKEDSA-N -1 0 308.220 -0.224 20 0 DBADRM O=C([O-])N1CCc2c1cccc2NC(=O)C(=O)NC(CO)CO ZINC000831790142 604039185 /nfs/dbraw/zinc/03/91/85/604039185.db2.gz YQBAJSCOBUXSAC-UHFFFAOYSA-N -1 0 323.305 -0.865 20 0 DBADRM O=C([O-])N[C@H]1CC[C@H](C(=O)OCC(=O)NC(=O)NC2CC2)C1 ZINC000832299296 604041027 /nfs/dbraw/zinc/04/10/27/604041027.db2.gz ZBLQAMPXSSJSMY-CBAPKCEASA-N -1 0 313.310 -0.046 20 0 DBADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)OCC(=O)NC(=O)NC2CC2)C1 ZINC000832299295 604041339 /nfs/dbraw/zinc/04/13/39/604041339.db2.gz ZBLQAMPXSSJSMY-APPZFPTMSA-N -1 0 313.310 -0.046 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000736360768 604050354 /nfs/dbraw/zinc/05/03/54/604050354.db2.gz BCIAZIYDVMQEEA-WIUDPPPLSA-N -1 0 319.427 -0.199 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828552461 604055988 /nfs/dbraw/zinc/05/59/88/604055988.db2.gz RSRWXQVMXATUPX-FXQIFTODSA-N -1 0 301.299 -0.190 20 0 DBADRM COCCCOC1CN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000828950558 604058125 /nfs/dbraw/zinc/05/81/25/604058125.db2.gz MDIYNCYDEBLUPJ-KOLCDFICSA-N -1 0 302.327 -0.637 20 0 DBADRM COC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828705746 604059612 /nfs/dbraw/zinc/05/96/12/604059612.db2.gz ZZVNOWBDWDRRGE-UHFFFAOYSA-N -1 0 307.328 -0.938 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)n1 ZINC000828077357 604059724 /nfs/dbraw/zinc/05/97/24/604059724.db2.gz NUBRLKIQJWHZKM-YUMQZZPRSA-N -1 0 324.341 -0.001 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])S(C)(=O)=O ZINC000823900843 604065252 /nfs/dbraw/zinc/06/52/52/604065252.db2.gz XOHOEQFUYHLAPQ-YUMQZZPRSA-N -1 0 308.356 -0.961 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)OC[C@@H]1CCN(C(=O)[O-])C1 ZINC000825514563 604065732 /nfs/dbraw/zinc/06/57/32/604065732.db2.gz HOUPUTDJVSGNBA-NGZCFLSTSA-N -1 0 314.338 -0.195 20 0 DBADRM C[C@H](NC(=O)CN1CCC[C@@H]1CNC(=O)[O-])C(=O)N(C)C ZINC000825122890 604069016 /nfs/dbraw/zinc/06/90/16/604069016.db2.gz YJDANGKZJJKTIQ-VHSXEESVSA-N -1 0 300.359 -0.689 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000824840277 604072225 /nfs/dbraw/zinc/07/22/25/604072225.db2.gz JUDJPAWPAWOQEJ-SECBINFHSA-N -1 0 307.372 -0.664 20 0 DBADRM Cn1cc(N2CCN(C(=O)NCCCNC(=O)[O-])CC2=O)cn1 ZINC000831009287 604074960 /nfs/dbraw/zinc/07/49/60/604074960.db2.gz PPNGPLQALNVJSL-UHFFFAOYSA-N -1 0 324.341 -0.564 20 0 DBADRM CN(CCNC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C(=O)[O-] ZINC000828323750 604076695 /nfs/dbraw/zinc/07/66/95/604076695.db2.gz CVGHJBVGNHKYCJ-UHFFFAOYSA-N -1 0 324.341 -0.612 20 0 DBADRM CS(=O)(=O)CC(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000829668859 604077616 /nfs/dbraw/zinc/07/76/16/604077616.db2.gz HWGXMXRVXKOYFH-UHFFFAOYSA-N -1 0 322.383 -0.304 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)NC[C@H]2CCC[C@H]2O)CC1 ZINC000831689195 604078044 /nfs/dbraw/zinc/07/80/44/604078044.db2.gz MGGKBWAFHSMXGE-VXGBXAGGSA-N -1 0 314.386 -0.258 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)NCCC(=O)NC(N)=O ZINC000829729461 604079280 /nfs/dbraw/zinc/07/92/80/604079280.db2.gz FTILFPMKBPFBLH-LURJTMIESA-N -1 0 306.344 -0.923 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000824849355 604080315 /nfs/dbraw/zinc/08/03/15/604080315.db2.gz RRRDFONQSKGOFN-VIFPVBQESA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@H](NC(=O)CN1CCC[C@H]1CN(C)C(=O)[O-])C(=O)N(C)C ZINC000825120296 604089863 /nfs/dbraw/zinc/08/98/63/604089863.db2.gz DIWCWIQLOYDEEQ-QWRGUYRKSA-N -1 0 314.386 -0.347 20 0 DBADRM C[C@@H](NC(=O)CN1CCC[C@@H]1CN(C)C(=O)[O-])C(=O)N(C)C ZINC000825120294 604090240 /nfs/dbraw/zinc/09/02/40/604090240.db2.gz DIWCWIQLOYDEEQ-GHMZBOCLSA-N -1 0 314.386 -0.347 20 0 DBADRM CC(=O)CCN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823532120 604097898 /nfs/dbraw/zinc/09/78/98/604097898.db2.gz GWZDHNHAMZQZDV-UHFFFAOYSA-N -1 0 319.383 -0.725 20 0 DBADRM C[C@]1(C(=O)OCC(=O)NC(=O)NC2CC2)CCN(C(=O)[O-])C1 ZINC000825684868 604101150 /nfs/dbraw/zinc/10/11/50/604101150.db2.gz LVYOWJVNEPQHID-ZDUSSCGKSA-N -1 0 313.310 -0.092 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCN1C(=O)[O-] ZINC000825970315 604113756 /nfs/dbraw/zinc/11/37/56/604113756.db2.gz UUMSSQQDZCQKGM-ZJUUUORDSA-N -1 0 321.337 -0.027 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000825016291 604134331 /nfs/dbraw/zinc/13/43/31/604134331.db2.gz PKZKJPDEZQQLIO-RKDXNWHRSA-N -1 0 307.372 -0.139 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1=O ZINC000831022834 604146762 /nfs/dbraw/zinc/14/67/62/604146762.db2.gz QEJRIJZNJCRDJY-MRVPVSSYSA-N -1 0 308.294 -0.808 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CC2(NC(=O)[O-])CCC2)CCO1 ZINC000828639719 604150554 /nfs/dbraw/zinc/15/05/54/604150554.db2.gz GZMDJOXYHGJBJP-SECBINFHSA-N -1 0 300.311 -0.033 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCC[S@@](C)=O ZINC000828316733 604160932 /nfs/dbraw/zinc/16/09/32/604160932.db2.gz TZIMXFXRMLQWPF-OAQYLSRUSA-N -1 0 320.415 -0.698 20 0 DBADRM O=C([O-])NC1(CC(=O)NCCCN2C(=O)CNC2=O)CCC1 ZINC000832203186 604161008 /nfs/dbraw/zinc/16/10/08/604161008.db2.gz DCGHIWDMDHIUHH-UHFFFAOYSA-N -1 0 312.326 -0.375 20 0 DBADRM Cn1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])n1 ZINC000831022903 604166468 /nfs/dbraw/zinc/16/64/68/604166468.db2.gz RVGHKUCHNLCAOP-RKDXNWHRSA-N -1 0 309.326 -0.089 20 0 DBADRM O=C([O-])N1CCCC[C@H]1CNC(=O)N1CCO[C@H](CO)C1 ZINC000831633534 604167689 /nfs/dbraw/zinc/16/76/89/604167689.db2.gz GQNYUTDVKLZXDK-QWRGUYRKSA-N -1 0 301.343 -0.078 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC000825212412 604171959 /nfs/dbraw/zinc/17/19/59/604171959.db2.gz VJMAWRKMGTZEGS-VHSXEESVSA-N -1 0 321.399 -0.228 20 0 DBADRM O=C([O-])N1CC[C@H](CCNC(=O)N2CCO[C@H](CO)C2)C1 ZINC000831874754 604172132 /nfs/dbraw/zinc/17/21/32/604172132.db2.gz OEFNTNMTXCKNKU-QWRGUYRKSA-N -1 0 301.343 -0.221 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)CC2(NC(=O)[O-])CCC2)CCO1 ZINC000823580495 604178821 /nfs/dbraw/zinc/17/88/21/604178821.db2.gz TXDQBYIUBBVCMQ-NSHDSACASA-N -1 0 313.354 -0.070 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)CC2(NC(=O)[O-])CCC2)CCO1 ZINC000823580494 604178894 /nfs/dbraw/zinc/17/88/94/604178894.db2.gz TXDQBYIUBBVCMQ-LLVKDONJSA-N -1 0 313.354 -0.070 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000824834421 604181409 /nfs/dbraw/zinc/18/14/09/604181409.db2.gz XEKCMAIXXXFZCN-DTWKUNHWSA-N -1 0 307.372 -0.488 20 0 DBADRM C[C@@H](COC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)NC(=O)[O-] ZINC000824988476 604195347 /nfs/dbraw/zinc/19/53/47/604195347.db2.gz SCNRKTJNQJDVKW-WPPNPWJKSA-N -1 0 313.310 -0.094 20 0 DBADRM C[C@@H](COC(=O)[C@@H]1CCCCN1S(C)(=O)=O)NC(=O)[O-] ZINC000824986242 604206804 /nfs/dbraw/zinc/20/68/04/604206804.db2.gz FZUXCJKNIUVPTP-IUCAKERBSA-N -1 0 308.356 0.000 20 0 DBADRM C[C@@H](COC(=O)[C@H]1CCCCN1S(C)(=O)=O)NC(=O)[O-] ZINC000824986241 604206952 /nfs/dbraw/zinc/20/69/52/604206952.db2.gz FZUXCJKNIUVPTP-DTWKUNHWSA-N -1 0 308.356 0.000 20 0 DBADRM COCCN(CC(=O)N[C@@H]1CCCC[C@H]1C(N)=O)C(=O)[O-] ZINC000828976202 604207299 /nfs/dbraw/zinc/20/72/99/604207299.db2.gz KEZDXRNPPKEEIO-NXEZZACHSA-N -1 0 301.343 -0.227 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)C(C)(C)NC(=O)[O-])CC2)C1=O ZINC000828446649 604211092 /nfs/dbraw/zinc/21/10/92/604211092.db2.gz ZIBKAIFXLKHYJU-UHFFFAOYSA-N -1 0 312.326 -0.425 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000823978209 604214549 /nfs/dbraw/zinc/21/45/49/604214549.db2.gz BCFDMBFDQPLWHL-QMMMGPOBSA-N -1 0 309.326 -0.075 20 0 DBADRM Cn1c(N2CCC[C@@H](NC(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000830978753 604216646 /nfs/dbraw/zinc/21/66/46/604216646.db2.gz MCSZDZCLBDYOCS-SSDOTTSWSA-N -1 0 322.325 -0.391 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)C1 ZINC000827899864 604225063 /nfs/dbraw/zinc/22/50/63/604225063.db2.gz LFQMEYNSWRCMSA-ZETCQYMHSA-N -1 0 322.325 -0.439 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)O[C@H]1CCN(C2CCOCC2)C1=O ZINC000825185786 604225566 /nfs/dbraw/zinc/22/55/66/604225566.db2.gz IOQFZRYPXBROCP-WPRPVWTQSA-N -1 0 300.311 -0.034 20 0 DBADRM COC1(C(=O)OCC(=O)N2CCC2)CCN(C(=O)[O-])CC1 ZINC000828865796 604226403 /nfs/dbraw/zinc/22/64/03/604226403.db2.gz STHULFHACVHWPV-UHFFFAOYSA-N -1 0 300.311 -0.079 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000828670099 604227639 /nfs/dbraw/zinc/22/76/39/604227639.db2.gz BMAVDRGBGCZLCI-SECBINFHSA-N -1 0 323.371 -0.684 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000828670101 604227660 /nfs/dbraw/zinc/22/76/60/604227660.db2.gz BMAVDRGBGCZLCI-VIFPVBQESA-N -1 0 323.371 -0.684 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC000828670272 604228532 /nfs/dbraw/zinc/22/85/32/604228532.db2.gz CYNIEWBORDAOBT-VIFPVBQESA-N -1 0 323.371 -0.542 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCC(C)(C)NC(=O)[O-] ZINC000828670570 604229489 /nfs/dbraw/zinc/22/94/89/604229489.db2.gz GTKXABVLOWPLKG-UHFFFAOYSA-N -1 0 311.360 -0.638 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000828671263 604230067 /nfs/dbraw/zinc/23/00/67/604230067.db2.gz RWZMBSGPQINPAD-SECBINFHSA-N -1 0 323.371 -0.638 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000828670823 604230173 /nfs/dbraw/zinc/23/01/73/604230173.db2.gz KRTZUBAZJIPYBR-VIFPVBQESA-N -1 0 323.371 -0.542 20 0 DBADRM O=C([O-])NC[C@@H](C(=O)N1C[C@H](O)C[C@H](O)C1)c1ccccc1 ZINC000832402894 604231871 /nfs/dbraw/zinc/23/18/71/604231871.db2.gz MXEOELVSAKWKBS-FRRDWIJNSA-N -1 0 308.334 -0.008 20 0 DBADRM CNC(=O)NC(=O)[C@@H](C)OC(=O)CC1(NC(=O)[O-])CCC1 ZINC000828551690 604234702 /nfs/dbraw/zinc/23/47/02/604234702.db2.gz FDKCTMLOYBEQII-SSDOTTSWSA-N -1 0 301.299 -0.046 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828670316 604235654 /nfs/dbraw/zinc/23/56/54/604235654.db2.gz DNBXOPAIBORULF-VIFPVBQESA-N -1 0 323.371 -0.590 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(S(=O)(=O)CCS(C)(=O)=O)C1 ZINC000827896987 604235967 /nfs/dbraw/zinc/23/59/67/604235967.db2.gz YXMNMRWURQRFOY-MRVPVSSYSA-N -1 0 314.385 -0.955 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)CC1(NC(=O)[O-])CCC1 ZINC000827248872 604238030 /nfs/dbraw/zinc/23/80/30/604238030.db2.gz HOHDPIUGQMDQIP-UHFFFAOYSA-N -1 0 301.299 -0.044 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)O[C@@H](C)C(=O)N1CCNC1=O ZINC000824880695 604243543 /nfs/dbraw/zinc/24/35/43/604243543.db2.gz KYEBEAIKAQRZNK-YUMQZZPRSA-N -1 0 301.299 -0.284 20 0 DBADRM COCCN(CC(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1)C(=O)[O-] ZINC000828970916 604244427 /nfs/dbraw/zinc/24/44/27/604244427.db2.gz JGLIJYHOAUQQHO-NXEZZACHSA-N -1 0 302.327 -0.120 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])O[C@@H]1CCS(=O)(=O)C1 ZINC000831480170 604248136 /nfs/dbraw/zinc/24/81/36/604248136.db2.gz PLFUBXMXGZXTNN-VHSXEESVSA-N -1 0 321.351 -0.124 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)OCc1nc(N)nc(N(C)C)n1 ZINC000824896294 604248213 /nfs/dbraw/zinc/24/82/13/604248213.db2.gz PAVZVDCZYPAZTL-SSDOTTSWSA-N -1 0 312.330 -0.191 20 0 DBADRM COC(=O)[C@]1(F)CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828617931 604264538 /nfs/dbraw/zinc/26/45/38/604264538.db2.gz JQSMKVMBKXDNTF-UFBFGSQYSA-N -1 0 304.274 -0.521 20 0 DBADRM NC(=O)C[C@@H]1CCCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831185063 604268724 /nfs/dbraw/zinc/26/87/24/604268724.db2.gz PHIWAOVDTKTDMP-WDEREUQCSA-N -1 0 313.354 -0.131 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000831373786 604273290 /nfs/dbraw/zinc/27/32/90/604273290.db2.gz CIRWMWLICLDOJR-ONGXEEELSA-N -1 0 311.338 -0.365 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCC[C@H](CNC(=O)[O-])C2)nn1 ZINC000825528089 604274641 /nfs/dbraw/zinc/27/46/41/604274641.db2.gz JGZJLZKDFOQVGA-NXEZZACHSA-N -1 0 311.342 -0.162 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)nn1 ZINC000825528857 604278576 /nfs/dbraw/zinc/27/85/76/604278576.db2.gz URFOKQSEDPRJBC-NXEZZACHSA-N -1 0 311.342 -0.068 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@H](CO)Cc2ccco2)nn1 ZINC000833122249 604279407 /nfs/dbraw/zinc/27/94/07/604279407.db2.gz UUTBYYDARNPTOJ-SECBINFHSA-N -1 0 308.294 -0.463 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000828648563 604282391 /nfs/dbraw/zinc/28/23/91/604282391.db2.gz UVCSFMYAYSHIOC-VHSXEESVSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000828648556 604282412 /nfs/dbraw/zinc/28/24/12/604282412.db2.gz UVCSFMYAYSHIOC-NXEZZACHSA-N -1 0 300.311 -0.177 20 0 DBADRM CC(C)S(=O)(=O)CCCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000824430896 604283199 /nfs/dbraw/zinc/28/31/99/604283199.db2.gz CEMCPAQLOSJAMK-ZJUUUORDSA-N -1 0 323.367 -0.144 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CCCS2(=O)=O)CCN1C(=O)[O-] ZINC000825994566 604303027 /nfs/dbraw/zinc/30/30/27/604303027.db2.gz BKSIVZGNUAENOV-NXEZZACHSA-N -1 0 319.383 -0.043 20 0 DBADRM O=C([O-])N1CCCN(C(=O)NC[C@H]2CCCS2(=O)=O)CC1 ZINC000832010069 604303187 /nfs/dbraw/zinc/30/31/87/604303187.db2.gz RPCGMPLVVQOXQU-SNVBAGLBSA-N -1 0 319.383 -0.041 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NC[C@H](O)COc2ccccc2)C1 ZINC000831622540 604303964 /nfs/dbraw/zinc/30/39/64/604303964.db2.gz WPIBXXKQGOKXBI-WCQYABFASA-N -1 0 324.333 -0.079 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NC[C@]2(CCO)CCOC2)C1 ZINC000831627179 604306199 /nfs/dbraw/zinc/30/61/99/604306199.db2.gz GWEKPFIXOZESRT-GWCFXTLKSA-N -1 0 302.327 -0.730 20 0 DBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CCNC(=O)[O-] ZINC000826691099 604323051 /nfs/dbraw/zinc/32/30/51/604323051.db2.gz OIVKIXCPGQYROM-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000829160191 604323547 /nfs/dbraw/zinc/32/35/47/604323547.db2.gz FSEOMIFRXWHLPK-YTWAJWBKSA-N -1 0 318.395 -0.117 20 0 DBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000829160190 604323670 /nfs/dbraw/zinc/32/36/70/604323670.db2.gz FSEOMIFRXWHLPK-RCWTZXSCSA-N -1 0 318.395 -0.117 20 0 DBADRM C[C@H](CC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000824553361 604324161 /nfs/dbraw/zinc/32/41/61/604324161.db2.gz XWAIQGZZJMPMLW-SECBINFHSA-N -1 0 321.399 -0.085 20 0 DBADRM CCN(CC)S(=O)(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000827046284 604332142 /nfs/dbraw/zinc/33/21/42/604332142.db2.gz QQZYOTATIPLYIW-JTQLQIEISA-N -1 0 308.404 -0.543 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC000833118385 604334924 /nfs/dbraw/zinc/33/49/24/604334924.db2.gz JDAPDPBAOBPPPW-NEPJUHHUSA-N -1 0 306.318 -0.003 20 0 DBADRM CCN(CCNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC000827145880 604351020 /nfs/dbraw/zinc/35/10/20/604351020.db2.gz GRKYMHZIJXCURT-BDAKNGLRSA-N -1 0 302.331 -0.682 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@H](CNC(=O)[O-])C2CC2)O1 ZINC000831174592 604352495 /nfs/dbraw/zinc/35/24/95/604352495.db2.gz WCLQUGRCCNPKDJ-BBBLOLIVSA-N -1 0 314.342 -0.635 20 0 DBADRM O=C([O-])c1ccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)s1 ZINC000833358305 604352618 /nfs/dbraw/zinc/35/26/18/604352618.db2.gz QMOHJAODDZTHIP-MRVPVSSYSA-N -1 0 309.347 -0.411 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@H](CO)OC[C@@H]1C)C(=O)[O-] ZINC000826785731 604353407 /nfs/dbraw/zinc/35/34/07/604353407.db2.gz CJXSPWINMMVPME-TUAOUCFPSA-N -1 0 302.371 -0.317 20 0 DBADRM CCN(CCCNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC000827125208 604353759 /nfs/dbraw/zinc/35/37/59/604353759.db2.gz XJWQZGDGNUQRON-ZJUUUORDSA-N -1 0 316.358 -0.292 20 0 DBADRM CCN(CCCNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC000827125205 604353932 /nfs/dbraw/zinc/35/39/32/604353932.db2.gz XJWQZGDGNUQRON-UWVGGRQHSA-N -1 0 316.358 -0.292 20 0 DBADRM Cc1sc(C(=O)[O-])cc1CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000833031856 604354125 /nfs/dbraw/zinc/35/41/25/604354125.db2.gz OYVGTCRCCIEKHO-JTQLQIEISA-N -1 0 323.374 -0.103 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000828298163 604354782 /nfs/dbraw/zinc/35/47/82/604354782.db2.gz OOWKPBVRDDSDRC-BDAKNGLRSA-N -1 0 302.331 -0.682 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)N2CCC(NC(=O)[O-])CC2)O1 ZINC000831171916 604356287 /nfs/dbraw/zinc/35/62/87/604356287.db2.gz GSGJQNKHAJPGED-NXEZZACHSA-N -1 0 314.342 -0.539 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000800026953 604357458 /nfs/dbraw/zinc/35/74/58/604357458.db2.gz OYPIQOGHJPDDMO-SECBINFHSA-N -1 0 309.731 -0.405 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000833039658 604357963 /nfs/dbraw/zinc/35/79/63/604357963.db2.gz PVEHEEUWHNPMOG-ZETCQYMHSA-N -1 0 323.758 -0.062 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000738612443 604374368 /nfs/dbraw/zinc/37/43/68/604374368.db2.gz HAAZNZQKNANQHE-GMTAPVOTSA-N -1 0 312.370 -0.559 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)O1 ZINC000831172684 604378108 /nfs/dbraw/zinc/37/81/08/604378108.db2.gz JKLKQGXHCHDSJK-DBIOUOCHSA-N -1 0 313.354 -0.038 20 0 DBADRM Cn1nccc1CCOC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000831059041 604381779 /nfs/dbraw/zinc/38/17/79/604381779.db2.gz OZKXKTQTMLTKNX-UHFFFAOYSA-N -1 0 310.310 -0.672 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C ZINC000736639471 604383484 /nfs/dbraw/zinc/38/34/84/604383484.db2.gz SLFSIOJXXMCWAR-SCZZXKLOSA-N -1 0 317.342 -0.585 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)CC2CCN(C(=O)[O-])CC2)O1 ZINC000831174024 604394420 /nfs/dbraw/zinc/39/44/20/604394420.db2.gz QFNVXSMVSYERMT-GHMZBOCLSA-N -1 0 313.354 -0.084 20 0 DBADRM CN1CCN(C(=O)Cn2ccccc2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828507280 604394957 /nfs/dbraw/zinc/39/49/57/604394957.db2.gz NPBLNQDUMQOMIN-NSHDSACASA-N -1 0 308.338 -0.742 20 0 DBADRM CN1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)[C@@H](CNC(=O)[O-])C1 ZINC000828488201 604397154 /nfs/dbraw/zinc/39/71/54/604397154.db2.gz LOGGDYNKSGAFOF-JQWIXIFHSA-N -1 0 324.381 -0.593 20 0 DBADRM CCN1C[C@@H](C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])CC1=O ZINC000827201379 604403711 /nfs/dbraw/zinc/40/37/11/604403711.db2.gz XKFKYSHHKJAVGK-WDEREUQCSA-N -1 0 312.370 -0.735 20 0 DBADRM COCCOCCC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000829001745 604408107 /nfs/dbraw/zinc/40/81/07/604408107.db2.gz DTWWXPWTOJADHC-LLVKDONJSA-N -1 0 303.359 -0.550 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)nc1Cl ZINC000833054090 604408684 /nfs/dbraw/zinc/40/86/84/604408684.db2.gz QZDJGXTYNGYOTM-ZETCQYMHSA-N -1 0 323.758 -0.062 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000833083127 604409111 /nfs/dbraw/zinc/40/91/11/604409111.db2.gz XMPQJKLVYFDYDW-UHFFFAOYSA-N -1 0 302.283 -0.180 20 0 DBADRM CN1CCN(C(=O)CCN2CCOC2=O)[C@H](CNC(=O)[O-])C1 ZINC000828495706 604411879 /nfs/dbraw/zinc/41/18/79/604411879.db2.gz RTQPVYSRJVOFOS-SNVBAGLBSA-N -1 0 314.342 -0.761 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)[C@H](CNC(=O)[O-])C1 ZINC000828494157 604411938 /nfs/dbraw/zinc/41/19/38/604411938.db2.gz HRTKIERHVISKOS-ZYHUDNBSSA-N -1 0 321.381 -0.075 20 0 DBADRM COC(=O)N1CC(NS(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000831199151 604412831 /nfs/dbraw/zinc/41/28/31/604412831.db2.gz ZPQCPHMCZLFISB-UHFFFAOYSA-N -1 0 306.340 -0.389 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000739746238 604413492 /nfs/dbraw/zinc/41/34/92/604413492.db2.gz IXVKHMYGRDGMHF-UHFFFAOYSA-N -1 0 313.335 -0.313 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000828640577 604414028 /nfs/dbraw/zinc/41/40/28/604414028.db2.gz LVPCMBGZNXDSAZ-UHFFFAOYSA-N -1 0 321.355 -0.932 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)[C@H]1CN(C)CCO1 ZINC000827754196 604418844 /nfs/dbraw/zinc/41/88/44/604418844.db2.gz HOWVQMSCCGLZCD-PSASIEDQSA-N -1 0 318.351 -0.025 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCn2ccnc2)CCO1 ZINC000825319529 604419720 /nfs/dbraw/zinc/41/97/20/604419720.db2.gz XNFHMFFNJIIABC-WDEREUQCSA-N -1 0 311.342 -0.050 20 0 DBADRM CC[C@H](C(=O)[O-])N1CCN(S(=O)(=O)CCCOC)CC1 ZINC000828603919 604423767 /nfs/dbraw/zinc/42/37/67/604423767.db2.gz RBACPDZXQGBDQU-LLVKDONJSA-N -1 0 308.400 -0.167 20 0 DBADRM C[C@H](NC(=O)NCCSCC(=O)[O-])[C@H]1CN(C)CCO1 ZINC000827665682 604426521 /nfs/dbraw/zinc/42/65/21/604426521.db2.gz UVIWJEHBLKOWNV-VHSXEESVSA-N -1 0 305.400 -0.178 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)C1(NC(=O)[O-])CC1 ZINC000827475869 604429547 /nfs/dbraw/zinc/42/95/47/604429547.db2.gz PYMVLJBVVCQLNO-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM O=C([O-])NC1(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000832185177 604432002 /nfs/dbraw/zinc/43/20/02/604432002.db2.gz BMLNIIUDDFQQPP-UHFFFAOYSA-N -1 0 307.310 -0.100 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(Cn2nc3ccccn3c2=O)CCO1 ZINC000825358340 604434601 /nfs/dbraw/zinc/43/46/01/604434601.db2.gz GAJYYZFRSIMXGZ-GHMZBOCLSA-N -1 0 321.337 -0.190 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000826994813 604439538 /nfs/dbraw/zinc/43/95/38/604439538.db2.gz CKRHMHSYAVDTGF-UWVGGRQHSA-N -1 0 307.368 -0.242 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000831705496 604442443 /nfs/dbraw/zinc/44/24/43/604442443.db2.gz NXGWWYMQDCFTQU-ZJUUUORDSA-N -1 0 322.383 -0.879 20 0 DBADRM NC(=O)CNC(=O)c1ccc(NC(=O)C2(NC(=O)[O-])CC2)cc1 ZINC000831190080 604443702 /nfs/dbraw/zinc/44/37/02/604443702.db2.gz MEUMPFKODVDOEF-UHFFFAOYSA-N -1 0 320.305 -0.360 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000826996087 604444269 /nfs/dbraw/zinc/44/42/69/604444269.db2.gz RSBVGILZLPWBOU-DTWKUNHWSA-N -1 0 310.372 -0.739 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(c2nc3c(cnn3C)c(=O)[nH]2)CCO1 ZINC000825370568 604450265 /nfs/dbraw/zinc/45/02/65/604450265.db2.gz BEVPRAUPCZSMEL-APPZFPTMSA-N -1 0 322.325 -0.070 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)Cn1cc([C@@H](C)O)nn1 ZINC000827006737 604451977 /nfs/dbraw/zinc/45/19/77/604451977.db2.gz NYJULARQTINAOH-MWLCHTKSSA-N -1 0 314.342 -0.332 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(c2cncc(-n3cncn3)n2)CCO1 ZINC000825373159 604454199 /nfs/dbraw/zinc/45/41/99/604454199.db2.gz VPOBIRKAKDUHNK-UWVGGRQHSA-N -1 0 319.325 -0.081 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])C(=O)OC(C)(C)C ZINC000829787986 604463134 /nfs/dbraw/zinc/46/31/34/604463134.db2.gz JNSUAXQMXQAICB-VGMNWLOBSA-N -1 0 302.327 -0.054 20 0 DBADRM CCOC[C@@H](O)CN1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000827388887 604463416 /nfs/dbraw/zinc/46/34/16/604463416.db2.gz QHGAPLIFGIVOSL-NSHDSACASA-N -1 0 315.370 -0.672 20 0 DBADRM CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833464342 604465764 /nfs/dbraw/zinc/46/57/64/604465764.db2.gz ZYZWHZSCKZOTMD-JTQLQIEISA-N -1 0 317.367 -0.108 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000828572267 604472510 /nfs/dbraw/zinc/47/25/10/604472510.db2.gz BEHVOABSSRICCN-UHFFFAOYSA-N -1 0 305.356 -0.673 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C2(NC(=O)[O-])CC2)C(=O)N1c1cnn(C)c1 ZINC000825788267 604476493 /nfs/dbraw/zinc/47/64/93/604476493.db2.gz HNBJMAKBBLVTLE-SCZZXKLOSA-N -1 0 321.337 -0.170 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCOC[C@H]1CCO)C(=O)[O-] ZINC000833640457 604478683 /nfs/dbraw/zinc/47/86/83/604478683.db2.gz YHMJAHBONHKAOY-LOWVWBTDSA-N -1 0 302.371 -0.315 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)[O-])C1)n1cccn1 ZINC000738605523 604479385 /nfs/dbraw/zinc/47/93/85/604479385.db2.gz WNUKLWHWFWWNNW-GHMZBOCLSA-N -1 0 323.353 -0.229 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H](C)O)c1 ZINC000831242628 604482799 /nfs/dbraw/zinc/48/27/99/604482799.db2.gz MANZDVRHCIFRIT-ZETCQYMHSA-N -1 0 317.319 -0.170 20 0 DBADRM O=C([O-])[C@H](c1ccccc1F)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000833360380 604484636 /nfs/dbraw/zinc/48/46/36/604484636.db2.gz HCTPMUJTTGSADN-CABZTGNLSA-N -1 0 321.308 -0.406 20 0 DBADRM O=C(CN[C@]1(C(=O)[O-])CCOC1)NC[C@@H]1Cc2ccccc2O1 ZINC000833765113 604489486 /nfs/dbraw/zinc/48/94/86/604489486.db2.gz XLSQCDOBJQYEST-BLLLJJGKSA-N -1 0 320.345 -0.060 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000829699367 604490201 /nfs/dbraw/zinc/49/02/01/604490201.db2.gz KQTGCSYTZAMQBT-HXUWFJFHSA-N -1 0 303.384 -0.691 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739989943 604490375 /nfs/dbraw/zinc/49/03/75/604490375.db2.gz DWOFPJDNLALHFO-BDAKNGLRSA-N -1 0 305.356 -0.721 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000828904873 604491337 /nfs/dbraw/zinc/49/13/37/604491337.db2.gz XTWLHJMZGOTGMK-GUBZILKMSA-N -1 0 310.372 -0.292 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)[C@H]2CCOC2)CCO1 ZINC000825358387 604491988 /nfs/dbraw/zinc/49/19/88/604491988.db2.gz GLCKDMFNNKMSDL-LPEHRKFASA-N -1 0 308.356 -0.538 20 0 DBADRM C[C@@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)C(=O)NCC(=O)[O-] ZINC000833534690 604492737 /nfs/dbraw/zinc/49/27/37/604492737.db2.gz HHMDKMUDWNDESC-ZCFIWIBFSA-N -1 0 308.250 -0.819 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)N2CCCC2)CCO1 ZINC000825358293 604493442 /nfs/dbraw/zinc/49/34/42/604493442.db2.gz FNUAWYUXAOFBGB-UWVGGRQHSA-N -1 0 307.372 -0.316 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000829978967 604497270 /nfs/dbraw/zinc/49/72/70/604497270.db2.gz UPTMMFFLTMNPTH-IUCAKERBSA-N -1 0 311.356 -0.453 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cn(C)c(C)n1 ZINC000829984173 604498427 /nfs/dbraw/zinc/49/84/27/604498427.db2.gz HOGNRCVGYWPJNV-VIFPVBQESA-N -1 0 305.356 -0.161 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000829978447 604498485 /nfs/dbraw/zinc/49/84/85/604498485.db2.gz ISLWNZYHQQRMQC-OUAUKWLOSA-N -1 0 324.399 -0.238 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000829978446 604498592 /nfs/dbraw/zinc/49/85/92/604498592.db2.gz ISLWNZYHQQRMQC-GMTAPVOTSA-N -1 0 324.399 -0.238 20 0 DBADRM CNC(=O)[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(C)C ZINC000830979422 604506713 /nfs/dbraw/zinc/50/67/13/604506713.db2.gz VKRAQAFZRCZZOK-JTQLQIEISA-N -1 0 318.355 -0.983 20 0 DBADRM CNC(=O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(C)C ZINC000830979537 604508275 /nfs/dbraw/zinc/50/82/75/604508275.db2.gz YSAYBXFLDUXESK-JTQLQIEISA-N -1 0 317.367 -0.228 20 0 DBADRM CCn1nc2c(cc1=O)CN(C(=O)C1(NC(=O)[O-])CC1)CC2 ZINC000827724215 604525943 /nfs/dbraw/zinc/52/59/43/604525943.db2.gz IGLBUULKQSLLMR-UHFFFAOYSA-N -1 0 306.322 -0.052 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)CCO1 ZINC000134194845 604537801 /nfs/dbraw/zinc/53/78/01/604537801.db2.gz SRTVNOGGNOOOTB-IUCAKERBSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)CCO1 ZINC000134129711 604538195 /nfs/dbraw/zinc/53/81/95/604538195.db2.gz IPMYLGQZXROCCL-UWVGGRQHSA-N -1 0 320.367 -0.551 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NC[C@H]2COCCO2)CCO1 ZINC000825312410 604539370 /nfs/dbraw/zinc/53/93/70/604539370.db2.gz WLHACYJSYJCEAI-DCAQKATOSA-N -1 0 317.342 -0.532 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000819258134 604539870 /nfs/dbraw/zinc/53/98/70/604539870.db2.gz ORHGTDAZICJBFY-SNVBAGLBSA-N -1 0 304.368 -0.073 20 0 DBADRM COCCOCCNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000829001542 604541691 /nfs/dbraw/zinc/54/16/91/604541691.db2.gz AUUFDQFRVQCFPZ-WDEREUQCSA-N -1 0 319.358 -0.284 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)CN(CCOC)C(=O)[O-])C1 ZINC000827250413 604545207 /nfs/dbraw/zinc/54/52/07/604545207.db2.gz RSHMAXXKOMOLOW-SNVBAGLBSA-N -1 0 316.358 -0.467 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@H]1CCCCO1 ZINC000833247982 604545758 /nfs/dbraw/zinc/54/57/58/604545758.db2.gz FSZHZGHNZDQEKE-GFCCVEGCSA-N -1 0 300.355 -0.199 20 0 DBADRM Cn1cc([C@@]2(C)CN(C(=O)NCCNC(=O)[O-])CCO2)cn1 ZINC000830995300 604545932 /nfs/dbraw/zinc/54/59/32/604545932.db2.gz YJKBSOGKFDPJGM-CYBMUJFWSA-N -1 0 311.342 -0.055 20 0 DBADRM CN(C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCO1)c1cccnn1 ZINC000830722423 604552193 /nfs/dbraw/zinc/55/21/93/604552193.db2.gz AWRSRHKWMHCRLR-UTUOFQBUSA-N -1 0 320.349 -0.139 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCC[S@@](C)=O)CCO1 ZINC000825318872 604553431 /nfs/dbraw/zinc/55/34/31/604553431.db2.gz QFOVPGWYXMYFLV-MMXNHZJYSA-N -1 0 307.372 -0.569 20 0 DBADRM Cc1nc(CNC(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)no1 ZINC000830756669 604556918 /nfs/dbraw/zinc/55/69/18/604556918.db2.gz HGECRVOKPCBSPL-CBAPKCEASA-N -1 0 313.314 -0.055 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCn2cccn2)CCO1 ZINC000825317700 604561146 /nfs/dbraw/zinc/56/11/46/604561146.db2.gz JBRHULDEWMQDDU-GHMZBOCLSA-N -1 0 311.342 -0.050 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)N[C@H]2CC(=O)N(C)C2)CCO1 ZINC000825309049 604561285 /nfs/dbraw/zinc/56/12/85/604561285.db2.gz INJZEIAWBIWUPP-LPEHRKFASA-N -1 0 314.342 -0.716 20 0 DBADRM COC(=O)Cc1cccc(NC(=O)C(=O)NCCNC(=O)[O-])c1 ZINC000828694945 604562771 /nfs/dbraw/zinc/56/27/71/604562771.db2.gz PNKUKYRUMZISQW-UHFFFAOYSA-N -1 0 323.305 -0.276 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000831705550 604564528 /nfs/dbraw/zinc/56/45/28/604564528.db2.gz QZLXMDMIRRUGSL-JTQLQIEISA-N -1 0 322.383 -0.592 20 0 DBADRM C[C@H](CC(=O)NN1CC(=O)NC1=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824672192 604578073 /nfs/dbraw/zinc/57/80/73/604578073.db2.gz SSPDWKOARFKUFL-BDAKNGLRSA-N -1 0 312.326 -0.014 20 0 DBADRM Cn1cc(/C=C/C(=O)N2CCC[C@@H]2CC(=O)[O-])c(=O)n(C)c1=O ZINC000833043575 604580265 /nfs/dbraw/zinc/58/02/65/604580265.db2.gz CRXJSLJHWSRJPN-MVIFTORASA-N -1 0 321.333 -0.437 20 0 DBADRM NC(=O)c1cccc(CCNC(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000831234402 604583378 /nfs/dbraw/zinc/58/33/78/604583378.db2.gz OPCXJCWGZIQRRM-UHFFFAOYSA-N -1 0 306.322 -0.011 20 0 DBADRM COCCN(CC(=O)N1C[C@@H]2[C@H](C1)OCCN2C)C(=O)[O-] ZINC000828970618 604583393 /nfs/dbraw/zinc/58/33/93/604583393.db2.gz BVIMWKGVDPGJQF-MNOVXSKESA-N -1 0 301.343 -0.846 20 0 DBADRM C[C@H]([C@H](C)NC(=O)NC1CN(C(=O)[O-])C1)N1CCOCC1 ZINC000825160510 604584176 /nfs/dbraw/zinc/58/41/76/604584176.db2.gz BPFDBTCGJYJWMO-VHSXEESVSA-N -1 0 300.359 -0.243 20 0 DBADRM CC(=O)N1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000833390603 604585852 /nfs/dbraw/zinc/58/58/52/604585852.db2.gz AIGSFONYMZYDHF-WPRPVWTQSA-N -1 0 300.311 -0.480 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000827243284 604585947 /nfs/dbraw/zinc/58/59/47/604585947.db2.gz XLNJLEPYOBWGDD-NXEZZACHSA-N -1 0 314.342 -0.715 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000827243266 604587076 /nfs/dbraw/zinc/58/70/76/604587076.db2.gz XGXNALXUIZWKTR-ZANVPECISA-N -1 0 316.333 -0.002 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000827251311 604587123 /nfs/dbraw/zinc/58/71/23/604587123.db2.gz XVNWWTXBEXCGPF-VIFPVBQESA-N -1 0 314.342 -0.715 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CC(=O)N2CCOCC2)CCO1 ZINC000825344879 604592592 /nfs/dbraw/zinc/59/25/92/604592592.db2.gz PZKOMDMWWPHYTO-WDEREUQCSA-N -1 0 301.343 -0.798 20 0 DBADRM CCOCCNC(=O)CN1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827404945 604597491 /nfs/dbraw/zinc/59/74/91/604597491.db2.gz JMGCGFYFIYGXPY-MNOVXSKESA-N -1 0 303.359 -0.504 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@@H](NC(=O)[O-])C1)NS(C)(=O)=O ZINC000738750005 604600107 /nfs/dbraw/zinc/60/01/07/604600107.db2.gz IUEPGEYHHJHYFT-MRVPVSSYSA-N -1 0 322.387 -0.634 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CC(=O)Nc2nncs2)CCO1 ZINC000825352797 604600318 /nfs/dbraw/zinc/60/03/18/604600318.db2.gz TUMXCQGDDDGGBL-HTQZYQBOSA-N -1 0 315.355 -0.167 20 0 DBADRM CNC(=O)NC(=O)CCN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828552015 604601336 /nfs/dbraw/zinc/60/13/36/604601336.db2.gz KRUQSOWHNZRCDD-RKDXNWHRSA-N -1 0 302.331 -0.811 20 0 DBADRM CNC(=O)NC(=O)CCN1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000828552014 604601439 /nfs/dbraw/zinc/60/14/39/604601439.db2.gz KRUQSOWHNZRCDD-IUCAKERBSA-N -1 0 302.331 -0.811 20 0 DBADRM CCNC(=O)NC(=O)CN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827248570 604612153 /nfs/dbraw/zinc/61/21/53/604612153.db2.gz DVSXWGHMBAGZEF-RKDXNWHRSA-N -1 0 302.331 -0.811 20 0 DBADRM COC(=O)CNC(=O)CCN1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000828683693 604612571 /nfs/dbraw/zinc/61/25/71/604612571.db2.gz MEDBXRBWSYNZRN-UWVGGRQHSA-N -1 0 317.342 -0.977 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000828572636 604613500 /nfs/dbraw/zinc/61/35/00/604613500.db2.gz GFZURTCKORFCNR-UHFFFAOYSA-N -1 0 320.371 -0.928 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CC(=O)NC2CCOCC2)CCO1 ZINC000825345186 604615950 /nfs/dbraw/zinc/61/59/50/604615950.db2.gz RYQCPQIWFONIDT-CMPLNLGQSA-N -1 0 315.370 -0.362 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC1CN(C(=O)[O-])C1 ZINC000823737285 604616628 /nfs/dbraw/zinc/61/66/28/604616628.db2.gz GHANDKKOPQJHHW-SFYZADRCSA-N -1 0 307.372 -0.188 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828552125 604618454 /nfs/dbraw/zinc/61/84/54/604618454.db2.gz MPYXKQPIBRPFDC-HRDYMLBCSA-N -1 0 302.331 -0.813 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CC(=O)NC(=O)NC2CC2)CCO1 ZINC000825345951 604619510 /nfs/dbraw/zinc/61/95/10/604619510.db2.gz WUNIFDCHEKMLLM-SCZZXKLOSA-N -1 0 314.342 -0.669 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC000831198293 604623709 /nfs/dbraw/zinc/62/37/09/604623709.db2.gz FPNHLZNEMNKFPC-SECBINFHSA-N -1 0 301.299 -0.678 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC000818028846 604624970 /nfs/dbraw/zinc/62/49/70/604624970.db2.gz CYWNVCUIHLJCKA-AXFHLTTASA-N -1 0 301.343 -0.800 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CCCN2C(=O)CNC2=O)CCO1 ZINC000825350966 604626254 /nfs/dbraw/zinc/62/62/54/604626254.db2.gz MBPHZBCQRYDLDM-NXEZZACHSA-N -1 0 314.342 -0.715 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C[C@H](O)CN2CCCC2=O)CCO1 ZINC000825350757 604636098 /nfs/dbraw/zinc/63/60/98/604636098.db2.gz KWQLSZYCBOEPOT-SDDRHHMPSA-N -1 0 315.370 -0.673 20 0 DBADRM COCCCNC(=O)CN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828950414 604637233 /nfs/dbraw/zinc/63/72/33/604637233.db2.gz IJBXNROUGKDXJF-GHMZBOCLSA-N -1 0 303.359 -0.504 20 0 DBADRM CCOC(=O)C[C@H](C)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000827307170 604638915 /nfs/dbraw/zinc/63/89/15/604638915.db2.gz ZFNWPOLRJKGKJO-VIFPVBQESA-N -1 0 315.326 -0.734 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)OCCN(C)C(=O)[O-])o1 ZINC000828586526 604655812 /nfs/dbraw/zinc/65/58/12/604655812.db2.gz UBVZVQHWGSVWTQ-UHFFFAOYSA-N -1 0 306.296 -0.046 20 0 DBADRM CN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000827754552 604659507 /nfs/dbraw/zinc/65/95/07/604659507.db2.gz YSBDJIPSJYFBQU-NXEZZACHSA-N -1 0 320.367 -0.599 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])cn1 ZINC000831801101 604663414 /nfs/dbraw/zinc/66/34/14/604663414.db2.gz XYFDYMNTKYTSMV-NSHDSACASA-N -1 0 324.337 -0.066 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000829721582 604664027 /nfs/dbraw/zinc/66/40/27/604664027.db2.gz BDYIGQOIJVHJRU-HBNTYKKESA-N -1 0 317.411 -0.083 20 0 DBADRM CC(=O)N1CCCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823557422 604665449 /nfs/dbraw/zinc/66/54/49/604665449.db2.gz WRYAGXCDSVVCMP-GFCCVEGCSA-N -1 0 313.354 -0.164 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCO1 ZINC000825336435 604666986 /nfs/dbraw/zinc/66/69/86/604666986.db2.gz SPAHDTUCQBXIDK-PSASIEDQSA-N -1 0 310.310 -0.723 20 0 DBADRM NC(=O)C1(NC(=O)c2ccc(OCC(=O)[O-])cc2)CCOCC1 ZINC000833082904 604670466 /nfs/dbraw/zinc/67/04/66/604670466.db2.gz SQHZGNCNFQLDAE-UHFFFAOYSA-N -1 0 322.317 -0.086 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCN(C)C(=O)C1)c1cn(CC(=O)[O-])nn1 ZINC000827828197 604673200 /nfs/dbraw/zinc/67/32/00/604673200.db2.gz XISHPRHDEKDFMG-IUCAKERBSA-N -1 0 310.310 -0.165 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)CCO1 ZINC000825295925 604675190 /nfs/dbraw/zinc/67/51/90/604675190.db2.gz YAYNNAPJIUAZLN-XHNCKOQMSA-N -1 0 308.356 -0.697 20 0 DBADRM CS(=O)(=O)N1CCN(C(=S)NCCCC(=O)[O-])CC1 ZINC000240761527 604681057 /nfs/dbraw/zinc/68/10/57/604681057.db2.gz ASXWIPOJCFLLOD-UHFFFAOYSA-N -1 0 309.413 -0.697 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CCCCNC(N)=O)CCO1 ZINC000825302951 604682803 /nfs/dbraw/zinc/68/28/03/604682803.db2.gz UDPJGRAVJMBXKV-NXEZZACHSA-N -1 0 316.358 -0.292 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)C2=NN(C)C(=O)CC2)CCO1 ZINC000825295137 604682868 /nfs/dbraw/zinc/68/28/68/604682868.db2.gz SATOLGFPKMHNEL-PSASIEDQSA-N -1 0 312.326 -0.522 20 0 DBADRM CC(C)NC(=O)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833501813 604685281 /nfs/dbraw/zinc/68/52/81/604685281.db2.gz JXMJJMRHANXWMO-UHFFFAOYSA-N -1 0 315.351 -0.075 20 0 DBADRM CCn1nc(C(=O)O[C@@H](C)c2cn(CC(=O)[O-])nn2)ccc1=O ZINC000830434174 604687812 /nfs/dbraw/zinc/68/78/12/604687812.db2.gz BMKKFWHQGBMCEJ-QMMMGPOBSA-N -1 0 321.293 -0.143 20 0 DBADRM NC(=O)COc1ccc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831195110 604688707 /nfs/dbraw/zinc/68/87/07/604688707.db2.gz XCCGSABCNMSZAW-NSHDSACASA-N -1 0 323.305 -0.132 20 0 DBADRM COC(=O)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828699692 604690903 /nfs/dbraw/zinc/69/09/03/604690903.db2.gz JNTMFNFUKLZOSR-RKDXNWHRSA-N -1 0 303.315 -0.432 20 0 DBADRM COC(=O)N(C)CC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828699689 604690918 /nfs/dbraw/zinc/69/09/18/604690918.db2.gz JNTMFNFUKLZOSR-DTWKUNHWSA-N -1 0 303.315 -0.432 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2nccnc2C(N)=O)CCO1 ZINC000825342860 604692223 /nfs/dbraw/zinc/69/22/23/604692223.db2.gz FEDBDXFCNXYRPV-JGVFFNPUSA-N -1 0 323.309 -0.927 20 0 DBADRM CCN(CC)C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833653733 604692344 /nfs/dbraw/zinc/69/23/44/604692344.db2.gz FULPLJLQHBGMIU-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM NC(=O)COCCNS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833761752 604693679 /nfs/dbraw/zinc/69/36/79/604693679.db2.gz VWJAWWLYJRWBDI-UHFFFAOYSA-N -1 0 320.298 -0.696 20 0 DBADRM CC1(C)C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833555785 604694251 /nfs/dbraw/zinc/69/42/51/604694251.db2.gz RLTODHZZJVYUNP-UHFFFAOYSA-N -1 0 313.335 -0.321 20 0 DBADRM CN1CC[C@H](C(=O)OCCc2cn(CC(=O)[O-])nn2)CC1=O ZINC000830918206 604694869 /nfs/dbraw/zinc/69/48/69/604694869.db2.gz REHXOJRVQDCGJA-VIFPVBQESA-N -1 0 310.310 -0.683 20 0 DBADRM COC(=O)Cn1cc([C@H](C)OC(=O)CCNC(=O)[O-])nn1 ZINC000831192929 604696487 /nfs/dbraw/zinc/69/64/87/604696487.db2.gz WFPNRWFURPEWLS-ZETCQYMHSA-N -1 0 300.271 -0.287 20 0 DBADRM NC(=O)c1cc(C(=O)OCCc2cn(CC(=O)[O-])nn2)c[nH]1 ZINC000833084853 604699741 /nfs/dbraw/zinc/69/97/41/604699741.db2.gz RNCAYONVPIWXGD-UHFFFAOYSA-N -1 0 307.266 -0.811 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1)N1CCOCC1 ZINC000824915869 604700278 /nfs/dbraw/zinc/70/02/78/604700278.db2.gz PWAUDUYUTKUDCG-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CN(C(=O)[O-])CCO1)N1CCOCC1 ZINC000824915867 604700291 /nfs/dbraw/zinc/70/02/91/604700291.db2.gz PWAUDUYUTKUDCG-GHMZBOCLSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CN(C(=O)[O-])CCO1)N1CCOCC1 ZINC000824915871 604700593 /nfs/dbraw/zinc/70/05/93/604700593.db2.gz PWAUDUYUTKUDCG-WDEREUQCSA-N -1 0 301.343 -0.798 20 0 DBADRM CCNC(=O)CCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827236671 604701060 /nfs/dbraw/zinc/70/10/60/604701060.db2.gz ISUDWUGIYLJLPN-NXEZZACHSA-N -1 0 301.343 -0.214 20 0 DBADRM CNC(=O)[C@H]1CCCCN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828532240 604701242 /nfs/dbraw/zinc/70/12/42/604701242.db2.gz OHFLEMUUZGHEHC-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000829938359 604701532 /nfs/dbraw/zinc/70/15/32/604701532.db2.gz UZUHJWRUBBQCCN-LLVKDONJSA-N -1 0 324.424 -0.108 20 0 DBADRM CNC(=O)C1(C(=O)OCCc2cn(CC(=O)[O-])nn2)CCC1 ZINC000830978885 604702817 /nfs/dbraw/zinc/70/28/17/604702817.db2.gz MFISYPJUXXBFNZ-UHFFFAOYSA-N -1 0 310.310 -0.635 20 0 DBADRM CC(=O)N[C@H](C(=O)OCCc1cn(CC(=O)[O-])nn1)C(C)C ZINC000825853740 604704099 /nfs/dbraw/zinc/70/40/99/604704099.db2.gz HTQAZSAPSXOFCC-LBPRGKRZSA-N -1 0 312.326 -0.391 20 0 DBADRM NC(=O)c1cccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)c1 ZINC000833087114 604704722 /nfs/dbraw/zinc/70/47/22/604704722.db2.gz ZOEIDDGBTIBHTK-UHFFFAOYSA-N -1 0 318.289 -0.139 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CCN2CCOC2=O)CCO1 ZINC000825302355 604705144 /nfs/dbraw/zinc/70/51/44/604705144.db2.gz POAZGWDKFVLLFC-VHSXEESVSA-N -1 0 315.326 -0.288 20 0 DBADRM CC(C)[C@H](C(=O)NC[C@H](C)C(=O)[O-])N1CCCS1(=O)=O ZINC000262080766 604707219 /nfs/dbraw/zinc/70/72/19/604707219.db2.gz KEPSGGOHLIXNEM-VHSXEESVSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cn2)C[C@H]1C(=O)[O-] ZINC000833624728 604708227 /nfs/dbraw/zinc/70/82/27/604708227.db2.gz VVZNYHOWRZMCAN-VXNVDRBHSA-N -1 0 313.335 -0.478 20 0 DBADRM CCCCN(CC(N)=O)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826829413 604708241 /nfs/dbraw/zinc/70/82/41/604708241.db2.gz AYNXHNIFAWJFCS-SNVBAGLBSA-N -1 0 301.343 -0.131 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cn2)C[C@H]1C(=O)[O-] ZINC000833624727 604708416 /nfs/dbraw/zinc/70/84/16/604708416.db2.gz VVZNYHOWRZMCAN-IONNQARKSA-N -1 0 313.335 -0.478 20 0 DBADRM O=C(CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NCc1ccccc1 ZINC000831488417 604709179 /nfs/dbraw/zinc/70/91/79/604709179.db2.gz DWYNYJGRULVQHD-LBPRGKRZSA-N -1 0 321.333 -0.202 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)CCO1 ZINC000825295394 604709700 /nfs/dbraw/zinc/70/97/00/604709700.db2.gz UPMLGALFWOVOGA-DTWKUNHWSA-N -1 0 322.383 -0.307 20 0 DBADRM CCOCCOCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827406224 604710044 /nfs/dbraw/zinc/71/00/44/604710044.db2.gz YWOHJOLZXDHOJN-GHMZBOCLSA-N -1 0 304.343 -0.077 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CN2CCCCC2=O)CCO1 ZINC000825303450 604712793 /nfs/dbraw/zinc/71/27/93/604712793.db2.gz VZUZXVISAMIWCI-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000829938151 604714932 /nfs/dbraw/zinc/71/49/32/604714932.db2.gz BWBJMHSPKCYKKI-QWRGUYRKSA-N -1 0 316.354 -0.571 20 0 DBADRM NC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831208971 604717816 /nfs/dbraw/zinc/71/78/16/604717816.db2.gz XXCIVRBIOBSIIR-VHSXEESVSA-N -1 0 314.342 -0.728 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)NCCCN1CCN(C(=O)[O-])CC1 ZINC000831400195 604719420 /nfs/dbraw/zinc/71/94/20/604719420.db2.gz BGFVMWRRIPKGFE-NSHDSACASA-N -1 0 313.354 -0.259 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCc2nnc3n2CCCC3)C1 ZINC000831730773 604719584 /nfs/dbraw/zinc/71/95/84/604719584.db2.gz LXYAYDMEAPABGK-VIFPVBQESA-N -1 0 309.326 -0.391 20 0 DBADRM COc1ncc(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)cn1 ZINC000829659878 604725471 /nfs/dbraw/zinc/72/54/71/604725471.db2.gz GKBMJOIPUIIVFE-SCZZXKLOSA-N -1 0 310.310 -0.018 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828633930 604727111 /nfs/dbraw/zinc/72/71/11/604727111.db2.gz YBYOCUNFGAVPCR-UWVGGRQHSA-N -1 0 300.311 -0.223 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CS(=O)(=O)N(CC)CC ZINC000829953932 604730772 /nfs/dbraw/zinc/73/07/72/604730772.db2.gz BBKORUNZPZEUGC-SNVBAGLBSA-N -1 0 324.399 -0.394 20 0 DBADRM CS(=O)(=O)CCCNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829674193 604734147 /nfs/dbraw/zinc/73/41/47/604734147.db2.gz ORUDJWDXUPIASQ-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM CCCN(CC(=O)NC)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000826897538 604738195 /nfs/dbraw/zinc/73/81/95/604738195.db2.gz KJDRKCXFMYIJJP-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000833259856 604739503 /nfs/dbraw/zinc/73/95/03/604739503.db2.gz PUNAKJLARLDBND-SNVBAGLBSA-N -1 0 306.274 -0.315 20 0 DBADRM NC(=O)Cn1ccc(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)n1 ZINC000831199871 604740593 /nfs/dbraw/zinc/74/05/93/604740593.db2.gz LOGNHJVFEYFUGF-QMMMGPOBSA-N -1 0 311.298 -0.924 20 0 DBADRM O=C([O-])c1ncn(CC(=O)CN2C(=O)c3ccccc3C2=O)n1 ZINC000833108050 604741892 /nfs/dbraw/zinc/74/18/92/604741892.db2.gz YAGXAXCWEDTOGS-UHFFFAOYSA-N -1 0 314.257 -0.158 20 0 DBADRM C[C@@H](C(=O)N1CCC(O)(C(=O)[O-])CC1)N1CCSCC1 ZINC000833403227 604746982 /nfs/dbraw/zinc/74/69/82/604746982.db2.gz FSUSFKZUXCGOGL-JTQLQIEISA-N -1 0 302.396 -0.138 20 0 DBADRM CCOC(=O)CN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000827314046 604749396 /nfs/dbraw/zinc/74/93/96/604749396.db2.gz YOQQEODZVFCBAZ-SNVBAGLBSA-N -1 0 300.311 -0.081 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000833491861 604750712 /nfs/dbraw/zinc/75/07/12/604750712.db2.gz LDWALQNIXOGGAM-UHFFFAOYSA-N -1 0 321.395 -0.115 20 0 DBADRM O=C([O-])N1CC(NC(=O)CN2C(=O)COc3ccccc32)C1 ZINC000740365735 604754156 /nfs/dbraw/zinc/75/41/56/604754156.db2.gz BHHGUCZFJAIIOJ-UHFFFAOYSA-N -1 0 305.290 -0.110 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)NCCNc2ncccn2)C1 ZINC000831381931 604754242 /nfs/dbraw/zinc/75/42/42/604754242.db2.gz OCIOZJDQYUMCMY-JTQLQIEISA-N -1 0 309.326 -0.226 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)COC(=O)C1(NC(=O)[O-])CC1 ZINC000823771628 604754214 /nfs/dbraw/zinc/75/42/14/604754214.db2.gz GGQJJVFBNMCARK-UHFFFAOYSA-N -1 0 315.326 -0.639 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)NC2CN(C(=O)[O-])C2)C1=O ZINC000739262835 604755106 /nfs/dbraw/zinc/75/51/06/604755106.db2.gz GLQWNJBBOXDACZ-UHFFFAOYSA-N -1 0 312.326 -0.425 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000739614418 604755141 /nfs/dbraw/zinc/75/51/41/604755141.db2.gz HWXVCJJAOARDMP-UHFFFAOYSA-N -1 0 316.339 -0.643 20 0 DBADRM O=C([O-])N1CC(NC(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000740389612 604755858 /nfs/dbraw/zinc/75/58/58/604755858.db2.gz JVBWBSGMYNSTDJ-UHFFFAOYSA-N -1 0 302.294 -0.317 20 0 DBADRM Nn1c(SC[C@H](O)CC(=O)[O-])nnc1-c1n[nH]c2c1CCC2 ZINC000833091621 604756336 /nfs/dbraw/zinc/75/63/36/604756336.db2.gz YHOVBVNJVKKOQI-ZCFIWIBFSA-N -1 0 324.366 -0.202 20 0 DBADRM NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000831167387 604758426 /nfs/dbraw/zinc/75/84/26/604758426.db2.gz JUQWFZUTXBAIFP-VXGBXAGGSA-N -1 0 321.333 -0.422 20 0 DBADRM NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831167384 604758493 /nfs/dbraw/zinc/75/84/93/604758493.db2.gz JUQWFZUTXBAIFP-NEPJUHHUSA-N -1 0 321.333 -0.422 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)COC(=O)C1(NC(=O)[O-])CC1 ZINC000828904121 604763582 /nfs/dbraw/zinc/76/35/82/604763582.db2.gz SCHAYTJHPUTNGU-ZETCQYMHSA-N -1 0 317.298 -0.810 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC1CN(C(=O)[O-])C1 ZINC000739991175 604764759 /nfs/dbraw/zinc/76/47/59/604764759.db2.gz KXRDZPPARSNDMQ-SECBINFHSA-N -1 0 305.356 -0.721 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)NC1CN(C(=O)[O-])C1 ZINC000739991176 604764976 /nfs/dbraw/zinc/76/49/76/604764976.db2.gz KXRDZPPARSNDMQ-VIFPVBQESA-N -1 0 305.356 -0.721 20 0 DBADRM CC(C)N(CCc1cn(CC(=O)[O-])nn1)CCS(C)(=O)=O ZINC000833496641 604767275 /nfs/dbraw/zinc/76/72/75/604767275.db2.gz MUUDWNVLXYRAMF-UHFFFAOYSA-N -1 0 318.399 -0.340 20 0 DBADRM O=C([O-])N1CC(NC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000740732931 604773757 /nfs/dbraw/zinc/77/37/57/604773757.db2.gz PLYIJFXHECXNIO-UHFFFAOYSA-N -1 0 310.310 -0.767 20 0 DBADRM CCn1c(=O)n(CC(=O)NC)nc1C1CCN(C(=O)[O-])CC1 ZINC000827688821 604776958 /nfs/dbraw/zinc/77/69/58/604776958.db2.gz XUHSBEYUHPAFNJ-UHFFFAOYSA-N -1 0 311.342 -0.332 20 0 DBADRM C[C@@H](C(=O)NCCNC(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC000823695598 604779726 /nfs/dbraw/zinc/77/97/26/604779726.db2.gz XZFZXINDZOPKTG-QMMMGPOBSA-N -1 0 308.356 -0.648 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823574959 604780139 /nfs/dbraw/zinc/78/01/39/604780139.db2.gz LCDLHPPWZKIEKC-NWDGAFQWSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(C)CN1C(=O)C(=O)N(CCc2cn(CC(=O)[O-])nn2)C1=O ZINC000826881073 604781591 /nfs/dbraw/zinc/78/15/91/604781591.db2.gz CBMQJQSXZPBPSG-UHFFFAOYSA-N -1 0 323.309 -0.648 20 0 DBADRM CCNC(=O)CNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827243320 604782887 /nfs/dbraw/zinc/78/28/87/604782887.db2.gz XTJKVFDCIVQJBG-DTWKUNHWSA-N -1 0 302.331 -0.811 20 0 DBADRM O=C([O-])Cn1cc(CCn2c(=O)onc2-c2cnccn2)nn1 ZINC000833273503 604789744 /nfs/dbraw/zinc/78/97/44/604789744.db2.gz RZTGKYAXGRCBFK-UHFFFAOYSA-N -1 0 317.265 -0.788 20 0 DBADRM C[C@@](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)(C(N)=O)c1ccccc1 ZINC000825094321 604794970 /nfs/dbraw/zinc/79/49/70/604794970.db2.gz RFWRSKVVIAKSDD-NHYWBVRUSA-N -1 0 321.333 -0.118 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCC(=O)Nc2ccncc2)C1 ZINC000831432208 604801968 /nfs/dbraw/zinc/80/19/68/604801968.db2.gz IIJPDGYQSNYHSY-NSHDSACASA-N -1 0 322.321 -0.673 20 0 DBADRM CCc1nnc2n1C[C@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000827655959 604803358 /nfs/dbraw/zinc/80/33/58/604803358.db2.gz MSWIJVMLVZHJPK-ZJUUUORDSA-N -1 0 323.353 -0.350 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCC(=O)Nc2cccnc2)C1 ZINC000831433815 604806914 /nfs/dbraw/zinc/80/69/14/604806914.db2.gz VLZZSGGDRRIMED-NSHDSACASA-N -1 0 322.321 -0.095 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)CN2CCN(C(=O)[O-])CC2=O)O1 ZINC000825739643 604807232 /nfs/dbraw/zinc/80/72/32/604807232.db2.gz NGXXLIJMDJEXLU-VIFPVBQESA-N -1 0 315.326 -0.924 20 0 DBADRM CN(CCN1CCOCC1)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828316874 604816487 /nfs/dbraw/zinc/81/64/87/604816487.db2.gz WBTOTOKNXNROFS-GFCCVEGCSA-N -1 0 315.370 -0.454 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000830800217 604816641 /nfs/dbraw/zinc/81/66/41/604816641.db2.gz WCCZFDGAQQGZGG-NXEZZACHSA-N -1 0 309.326 -0.604 20 0 DBADRM O=C([O-])NCC(=O)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000832391548 604817516 /nfs/dbraw/zinc/81/75/16/604817516.db2.gz CYUNYIKFIAICQT-LLVKDONJSA-N -1 0 301.343 -0.796 20 0 DBADRM COC(=O)[C@H]1CCCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828630223 604818057 /nfs/dbraw/zinc/81/80/57/604818057.db2.gz CFXCTNRAMMRHLS-UWVGGRQHSA-N -1 0 300.311 -0.223 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000829669378 604821475 /nfs/dbraw/zinc/82/14/75/604821475.db2.gz NDRQJJXXWLPCAQ-UHFFFAOYSA-N -1 0 305.356 -0.433 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000832070057 604822628 /nfs/dbraw/zinc/82/26/28/604822628.db2.gz WASYFIPQMVBWMZ-SECBINFHSA-N -1 0 306.340 -0.988 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000827248444 604822752 /nfs/dbraw/zinc/82/27/52/604822752.db2.gz AWWSNWUJKGEAAC-VHSXEESVSA-N -1 0 313.358 -0.158 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N(CC(=O)[O-])CC(=O)OC)C1 ZINC000828557359 604824690 /nfs/dbraw/zinc/82/46/90/604824690.db2.gz JPFABTBKBRJIAG-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCCCN1CCOC1=O ZINC000831380019 604826979 /nfs/dbraw/zinc/82/69/79/604826979.db2.gz BNDGPBYOYULMHY-SNVBAGLBSA-N -1 0 315.326 -0.286 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCC(=O)N1CCCCC1 ZINC000831383033 604826993 /nfs/dbraw/zinc/82/69/93/604826993.db2.gz SNQMKXAPMTUKPS-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCC3(C2)OCCO3)C1 ZINC000832059750 604831350 /nfs/dbraw/zinc/83/13/50/604831350.db2.gz CBYHGVNTKJAMRA-JTQLQIEISA-N -1 0 300.311 -0.269 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000830979459 604833335 /nfs/dbraw/zinc/83/33/35/604833335.db2.gz YBXNOJNFABRZGX-ZCFIWIBFSA-N -1 0 301.328 -0.901 20 0 DBADRM CCN1C(=S)N=NC1CNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827693635 604833714 /nfs/dbraw/zinc/83/37/14/604833714.db2.gz IEAXEZNZMNGMHQ-SSDOTTSWSA-N -1 0 315.355 -0.418 20 0 DBADRM CC[C@@H](C(=O)OCCc1cn(CC(=O)[O-])nn1)N1CCCC1=O ZINC000828604282 604838989 /nfs/dbraw/zinc/83/89/89/604838989.db2.gz YZBWCWDJOHCQJY-NSHDSACASA-N -1 0 324.337 -0.151 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000825527111 604842207 /nfs/dbraw/zinc/84/22/07/604842207.db2.gz AUQMXYAQLGXVNS-VXGBXAGGSA-N -1 0 315.370 -0.720 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000824035656 604842237 /nfs/dbraw/zinc/84/22/37/604842237.db2.gz XMTIRLJZAZQCCR-LLVKDONJSA-N -1 0 315.370 -0.720 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)OCC(=O)NCCC(=O)[O-])C1 ZINC000828556854 604842363 /nfs/dbraw/zinc/84/23/63/604842363.db2.gz HDMXMVVOIOIIAB-SECBINFHSA-N -1 0 300.311 -0.621 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000825527107 604842549 /nfs/dbraw/zinc/84/25/49/604842549.db2.gz AUQMXYAQLGXVNS-NEPJUHHUSA-N -1 0 315.370 -0.720 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCCN2CCCCC2=O)C1 ZINC000831676983 604842911 /nfs/dbraw/zinc/84/29/11/604842911.db2.gz VHVHQIDDBHTIFA-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCOC[C@H]2CCCO2)C1 ZINC000831692780 604862211 /nfs/dbraw/zinc/86/22/11/604862211.db2.gz BDYAZOGDDPRARU-MNOVXSKESA-N -1 0 302.327 -0.323 20 0 DBADRM COc1ncc(NC(=O)NCCCNC(=O)[O-])cc1C(N)=O ZINC000829663250 604862296 /nfs/dbraw/zinc/86/22/96/604862296.db2.gz BSPIDNJYQUWHAB-UHFFFAOYSA-N -1 0 311.298 -0.032 20 0 DBADRM COC1(C(=O)N[C@H]2CC[S@@](=O)C2)CCN(C(=O)[O-])CC1 ZINC000828855994 604865689 /nfs/dbraw/zinc/86/56/89/604865689.db2.gz JUWSZQCMASBNFG-GWNMQOMSSA-N -1 0 304.368 -0.217 20 0 DBADRM COC1(C(=O)N[C@@H]2CC[S@](=O)C2)CCN(C(=O)[O-])CC1 ZINC000828855996 604865899 /nfs/dbraw/zinc/86/58/99/604865899.db2.gz JUWSZQCMASBNFG-YBYGRFCBSA-N -1 0 304.368 -0.217 20 0 DBADRM CN(C(=O)c1cn(C)c(=O)n(C)c1=O)C1(C(=O)[O-])CCCCC1 ZINC000833686618 604869481 /nfs/dbraw/zinc/86/94/81/604869481.db2.gz BFEFTNKWGXDEBB-UHFFFAOYSA-N -1 0 323.349 -0.057 20 0 DBADRM C[C@@H](NC(=O)COC(=O)c1cnccc1C(=O)[O-])C(=O)N(C)C ZINC000827635082 604876667 /nfs/dbraw/zinc/87/66/67/604876667.db2.gz BGWBFPKZJIIKDH-MRVPVSSYSA-N -1 0 323.305 -0.471 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCCNC(=O)C2CCC2)C1 ZINC000831676791 604888597 /nfs/dbraw/zinc/88/85/97/604888597.db2.gz SUGZQEYAXZMMFN-NSHDSACASA-N -1 0 313.354 -0.212 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000825002370 604892169 /nfs/dbraw/zinc/89/21/69/604892169.db2.gz UVPMEFVYLGOZHK-GMTAPVOTSA-N -1 0 302.327 -0.325 20 0 DBADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000833415155 604892778 /nfs/dbraw/zinc/89/27/78/604892778.db2.gz KJCJIVSBTKZKPE-VIFPVBQESA-N -1 0 311.338 -0.112 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCCO[C@H]2CCOC2)C1 ZINC000831680049 604895349 /nfs/dbraw/zinc/89/53/49/604895349.db2.gz ATYAEUJGLBTKTO-QWRGUYRKSA-N -1 0 302.327 -0.323 20 0 DBADRM C[C@@H]1[C@H](C)N(CCc2cn(CC(=O)[O-])nn2)CCS1(=O)=O ZINC000833586827 604896248 /nfs/dbraw/zinc/89/62/48/604896248.db2.gz HBQTVOBZNPJIKA-VHSXEESVSA-N -1 0 316.383 -0.587 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCC[C@H](OCCO)C2)n1 ZINC000833274991 604896463 /nfs/dbraw/zinc/89/64/63/604896463.db2.gz DWGBAHURHXZDFD-JTQLQIEISA-N -1 0 312.326 -0.027 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@H](O)COc1ccccc1 ZINC000831621639 604897637 /nfs/dbraw/zinc/89/76/37/604897637.db2.gz OPYLVJIOQZFWKD-AAEUAGOBSA-N -1 0 324.333 -0.079 20 0 DBADRM CCc1[nH]c(C(=O)N2CCN(C(=O)CO)CC2)c(C)c1C(=O)[O-] ZINC000833667642 604900342 /nfs/dbraw/zinc/90/03/42/604900342.db2.gz MXQGYDAFDJWWFY-UHFFFAOYSA-N -1 0 323.349 -0.140 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000827242015 604901116 /nfs/dbraw/zinc/90/11/16/604901116.db2.gz HEVMEZPEDCSNFX-UWVGGRQHSA-N -1 0 314.342 -0.715 20 0 DBADRM COc1cccc([C@H](O)CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000829543352 604902499 /nfs/dbraw/zinc/90/24/99/604902499.db2.gz IYKYPRMVNQTMNV-WCFLWFBJSA-N -1 0 324.333 -0.042 20 0 DBADRM COc1cccc([C@H](O)CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000829543349 604902756 /nfs/dbraw/zinc/90/27/56/604902756.db2.gz IYKYPRMVNQTMNV-CYZMBNFOSA-N -1 0 324.333 -0.042 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000824809887 604903028 /nfs/dbraw/zinc/90/30/28/604903028.db2.gz LOJLYIBYSPNPQJ-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM CC(=O)N[C@@H](C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)C(C)C ZINC000833396225 604903911 /nfs/dbraw/zinc/90/39/11/604903911.db2.gz ZHLLPKIFDXGTNU-NEPJUHHUSA-N -1 0 300.355 -0.169 20 0 DBADRM C[C@H](OC(=O)CN(C)[C@H]1CCSC1)C(=O)NCC(=O)[O-] ZINC000833529249 604906404 /nfs/dbraw/zinc/90/64/04/604906404.db2.gz NNRZNLUPPATBAO-IUCAKERBSA-N -1 0 304.368 -0.444 20 0 DBADRM O=C([O-])NCCNC(=O)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000832642015 604906878 /nfs/dbraw/zinc/90/68/78/604906878.db2.gz SICLCZFGCNAHEJ-UHFFFAOYSA-N -1 0 323.231 -0.232 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC(CNC(=O)[O-])CC2)cn1 ZINC000831009508 604908156 /nfs/dbraw/zinc/90/81/56/604908156.db2.gz WKOBKJFZFHOKSS-UHFFFAOYSA-N -1 0 309.326 -0.135 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cn1 ZINC000833681549 604910603 /nfs/dbraw/zinc/91/06/03/604910603.db2.gz DTSBZJUSHWCXKY-LLVKDONJSA-N -1 0 324.337 -0.474 20 0 DBADRM CN(CCNC(=O)C(=O)Nc1cnn(CC(F)F)c1)C(=O)[O-] ZINC000828315796 604911523 /nfs/dbraw/zinc/91/15/23/604911523.db2.gz FIWTWXOQLZULMO-UHFFFAOYSA-N -1 0 319.268 -0.187 20 0 DBADRM CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000827642535 604918249 /nfs/dbraw/zinc/91/82/49/604918249.db2.gz JEUSFTZGGSLGBY-UWVGGRQHSA-N -1 0 323.353 -0.350 20 0 DBADRM COCCN1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C[C@@H]1C ZINC000828992991 604925333 /nfs/dbraw/zinc/92/53/33/604925333.db2.gz UGJLZZVOAXWNEH-RYUDHWBXSA-N -1 0 315.370 -0.456 20 0 DBADRM CC(C)c1nncn1CCNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000824509607 604940114 /nfs/dbraw/zinc/94/01/14/604940114.db2.gz ACJAYXBCCRUWDD-SNVBAGLBSA-N -1 0 311.342 -0.104 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000825778095 604940448 /nfs/dbraw/zinc/94/04/48/604940448.db2.gz HZRHPJDBVPEPAJ-OPRDCNLKSA-N -1 0 320.367 -0.601 20 0 DBADRM CC(C)N1C(=O)N[C@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)C1=O ZINC000833499849 604940724 /nfs/dbraw/zinc/94/07/24/604940724.db2.gz IHEOXVMJFHIBSD-QIBSRJKCSA-N -1 0 309.322 -0.362 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@H](Cn3cncn3)C2)C1 ZINC000832051407 604945798 /nfs/dbraw/zinc/94/57/98/604945798.db2.gz WDKKMISMBSFLTC-NWDGAFQWSA-N -1 0 323.353 -0.105 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1)CN1CCOCC1 ZINC000824915021 604946493 /nfs/dbraw/zinc/94/64/93/604946493.db2.gz IIXFHARAARFBCV-RYUDHWBXSA-N -1 0 315.370 -0.550 20 0 DBADRM COC(=O)c1ccc(N2CCN(C(=O)CNC(=O)[O-])CC2)nn1 ZINC000833716166 604958904 /nfs/dbraw/zinc/95/89/04/604958904.db2.gz SUCLXFKGYLKHRD-UHFFFAOYSA-N -1 0 323.309 -0.821 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000833532752 604959074 /nfs/dbraw/zinc/95/90/74/604959074.db2.gz UVEAGNIOCDMGRV-YUMQZZPRSA-N -1 0 315.326 -0.689 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)Nc1ncnc2[nH]cnc21 ZINC000833532491 604960344 /nfs/dbraw/zinc/96/03/44/604960344.db2.gz IUWPEXYVQUFRHE-WDSKDSINSA-N -1 0 322.281 -0.121 20 0 DBADRM Cn1cc(NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1C(=O)[O-] ZINC000833046729 604961944 /nfs/dbraw/zinc/96/19/44/604961944.db2.gz DPFPMCGWTPWJNG-MRVPVSSYSA-N -1 0 316.339 -0.382 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000833530788 604962924 /nfs/dbraw/zinc/96/29/24/604962924.db2.gz IXZQDISDNAREEB-CIUDSAMLSA-N -1 0 315.326 -0.702 20 0 DBADRM C[C@@H](OC(=O)[C@H](C)NC(=O)[O-])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000833530796 604963251 /nfs/dbraw/zinc/96/32/51/604963251.db2.gz IXZQDISDNAREEB-YIZRAAEISA-N -1 0 315.326 -0.702 20 0 DBADRM CCCN(CC(=O)[O-])CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000737824983 604965909 /nfs/dbraw/zinc/96/59/09/604965909.db2.gz BOTVOBPHQORESP-UHFFFAOYSA-N -1 0 324.337 -0.155 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1=O ZINC000825858432 604970023 /nfs/dbraw/zinc/97/00/23/604970023.db2.gz BCJXGUVHYSECIT-ZNSHCXBVSA-N -1 0 311.338 -0.509 20 0 DBADRM C[C@@H](C(N)=O)N(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000833406918 604972351 /nfs/dbraw/zinc/97/23/51/604972351.db2.gz FRTNVBIBQBXXHO-GXFFZTMASA-N -1 0 319.361 -0.170 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000833501767 604993587 /nfs/dbraw/zinc/99/35/87/604993587.db2.gz JCGPDMJSAKPERY-QMMMGPOBSA-N -1 0 309.313 -0.333 20 0 DBADRM CC[C@@H](OC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000833645655 605011913 /nfs/dbraw/zinc/01/19/13/605011913.db2.gz OZNQKOAOJGUODH-MRVPVSSYSA-N -1 0 305.312 -0.895 20 0 DBADRM CN(C)C(=O)CNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000833688665 605014749 /nfs/dbraw/zinc/01/47/49/605014749.db2.gz WUEITVRKDOFXBR-UHFFFAOYSA-N -1 0 321.742 -0.200 20 0 DBADRM COC(=O)c1cncc(C(=O)OCC(=O)NCCC(=O)[O-])c1 ZINC000833717283 605016808 /nfs/dbraw/zinc/01/68/08/605016808.db2.gz JFVNWGLRSUSCSU-UHFFFAOYSA-N -1 0 310.262 -0.384 20 0 DBADRM CCOC(=O)[C@H](C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000833656374 605020660 /nfs/dbraw/zinc/02/06/60/605020660.db2.gz KACQMZVDRLBIQS-LURJTMIESA-N -1 0 305.312 -0.354 20 0 DBADRM CC[S@@](=O)CCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000833668540 605027344 /nfs/dbraw/zinc/02/73/44/605027344.db2.gz SJFHEQPNLDGEJR-GOSISDBHSA-N -1 0 309.369 -0.537 20 0 DBADRM C[C@H](CS(=O)(=O)N(C)CC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000833517446 605028007 /nfs/dbraw/zinc/02/80/07/605028007.db2.gz BOIRCALIKWBNPM-MRVPVSSYSA-N -1 0 315.413 -0.208 20 0 DBADRM CC(C)(O)CN1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000071380631 605032231 /nfs/dbraw/zinc/03/22/31/605032231.db2.gz GKRFAPNIIDPEJY-UHFFFAOYSA-N -1 0 308.400 -0.431 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN(CC(C)(C)O)CC1)C(=O)[O-] ZINC000833517874 605033024 /nfs/dbraw/zinc/03/30/24/605033024.db2.gz DOWSINMHMCYXRR-SNVBAGLBSA-N -1 0 308.400 -0.575 20 0 DBADRM C[C@H](CS(=O)(=O)N(CCO)Cc1cccnc1)C(=O)[O-] ZINC000833519398 605033750 /nfs/dbraw/zinc/03/37/50/605033750.db2.gz OBECUXWRSYZXGN-SNVBAGLBSA-N -1 0 302.352 -0.074 20 0 DBADRM CC(C)(C)[C@H](O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000324432268 605034488 /nfs/dbraw/zinc/03/44/88/605034488.db2.gz BTYBTBJDTWRXMY-SECBINFHSA-N -1 0 305.356 -0.347 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)NCCn2ncnn2)cc1 ZINC000833775509 605034864 /nfs/dbraw/zinc/03/48/64/605034864.db2.gz HMPYNABPTKCVOJ-UHFFFAOYSA-N -1 0 318.293 -0.945 20 0 DBADRM CC(C)Cn1cc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)cn1 ZINC000833493182 605035159 /nfs/dbraw/zinc/03/51/59/605035159.db2.gz GQQUVWHHUVTWHL-UHFFFAOYSA-N -1 0 309.326 -0.044 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@]2(O)CCSC2)c[nH]1 ZINC000705237885 605042876 /nfs/dbraw/zinc/04/28/76/605042876.db2.gz BOEKSIMWEASHPB-SNVBAGLBSA-N -1 0 306.365 -0.141 20 0 DBADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000833547366 605043264 /nfs/dbraw/zinc/04/32/64/605043264.db2.gz SBEZOYNRFJMBFN-RKDXNWHRSA-N -1 0 307.306 -0.319 20 0 DBADRM CC(=O)N1CCOC[C@@H]1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000833391412 605045006 /nfs/dbraw/zinc/04/50/06/605045006.db2.gz KFVNMFWZWZVYEX-NWDGAFQWSA-N -1 0 310.350 -0.053 20 0 DBADRM CC[S@@](=O)CCNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833668473 605054041 /nfs/dbraw/zinc/05/40/41/605054041.db2.gz QHEZLCUYTJQQKN-WSVYEEACSA-N -1 0 319.427 -0.055 20 0 DBADRM CC(C)(C)[C@H](O)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000833423386 605059815 /nfs/dbraw/zinc/05/98/15/605059815.db2.gz AMARDRAZZYFTHG-GFCCVEGCSA-N -1 0 302.371 -0.361 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)OCCNC(=O)c2cccnc2)C1 ZINC000831693035 605081516 /nfs/dbraw/zinc/08/15/16/605081516.db2.gz GOUCSOSVWIWSGK-LLVKDONJSA-N -1 0 323.305 -0.267 20 0 DBADRM CCN1C[C@@H](COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1=O ZINC000827198960 605083083 /nfs/dbraw/zinc/08/30/83/605083083.db2.gz MQPTXODLBVUTQR-UWVGGRQHSA-N -1 0 300.311 -0.223 20 0 DBADRM COc1ccccc1N1C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])CC1=O ZINC000833736688 605088066 /nfs/dbraw/zinc/08/80/66/605088066.db2.gz UMRNFVJQLRWIDW-ONGXEEELSA-N -1 0 322.317 -0.390 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)N2CC[C@H](NC(=O)[O-])C2)n1 ZINC000828699968 605088588 /nfs/dbraw/zinc/08/85/88/605088588.db2.gz OIGZCXPGQRBNOP-QMMMGPOBSA-N -1 0 311.298 -0.070 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H](CC(F)F)C(=O)[O-])cn1 ZINC000833762629 605088874 /nfs/dbraw/zinc/08/88/74/605088874.db2.gz YRZIVMNWEXAHII-ZCFIWIBFSA-N -1 0 323.277 -0.433 20 0 DBADRM CN1C(=O)C[C@H](C(=O)NC[C@H](O)C(=O)[O-])[C@@H]1c1cccnc1 ZINC000833698096 605089462 /nfs/dbraw/zinc/08/94/62/605089462.db2.gz NLMMQAHSKOEENG-NHCYSSNCSA-N -1 0 307.306 -0.837 20 0 DBADRM CC1CCC(N2C[C@H](C(=O)NC[C@H](O)C(=O)[O-])CC2=O)CC1 ZINC000833602256 605089563 /nfs/dbraw/zinc/08/95/63/605089563.db2.gz AZTZJJCELXTWRL-RSJDFQLWSA-N -1 0 312.366 -0.025 20 0 DBADRM CNC(=O)[C@@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)C(C)C ZINC000833699753 605091471 /nfs/dbraw/zinc/09/14/71/605091471.db2.gz XIONCHBUSZZQEK-JTQLQIEISA-N -1 0 315.370 -0.062 20 0 DBADRM CNC(=O)[C@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)C(C)C ZINC000833699754 605091477 /nfs/dbraw/zinc/09/14/77/605091477.db2.gz XIONCHBUSZZQEK-SNVBAGLBSA-N -1 0 315.370 -0.062 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1 ZINC000830089267 605091845 /nfs/dbraw/zinc/09/18/45/605091845.db2.gz GBNRSXZUQSWVNJ-SECBINFHSA-N -1 0 322.321 -0.499 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)[C@H](C)CNC(=O)[O-])c(=O)n(C)c1 ZINC000830085999 605092382 /nfs/dbraw/zinc/09/23/82/605092382.db2.gz WOOKCDITXDIGGZ-SECBINFHSA-N -1 0 324.337 -0.253 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000740586377 605093448 /nfs/dbraw/zinc/09/34/48/605093448.db2.gz FBLVGEARFKOZDW-NSHDSACASA-N -1 0 321.337 -0.137 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC000833390481 605101878 /nfs/dbraw/zinc/10/18/78/605101878.db2.gz HIWAQFXHUNNCEQ-UHFFFAOYSA-N -1 0 320.349 -0.326 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)NCCCN2CCOC2=O)C1 ZINC000740590199 605102259 /nfs/dbraw/zinc/10/22/59/605102259.db2.gz WETCHBBDXKGBJJ-VIFPVBQESA-N -1 0 300.315 -0.120 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)N2CC[C@H](NC(=O)[O-])C2)C1 ZINC000739457309 605102863 /nfs/dbraw/zinc/10/28/63/605102863.db2.gz RKXMKLYJUXZTMA-QWRGUYRKSA-N -1 0 300.359 -0.241 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000833689446 605105229 /nfs/dbraw/zinc/10/52/29/605105229.db2.gz BTEJWROIKIBFSV-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)NCCc2nnc3n2CCC3)C1 ZINC000832375289 605111321 /nfs/dbraw/zinc/11/13/21/605111321.db2.gz FITJEAYLCRCOJV-VIFPVBQESA-N -1 0 308.342 -0.182 20 0 DBADRM COc1ncccc1NC(=O)C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739982178 605117137 /nfs/dbraw/zinc/11/71/37/605117137.db2.gz BRVMNBLUMLIOEY-QMMMGPOBSA-N -1 0 308.294 -0.103 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCCS(=O)(=O)CC1CC1 ZINC000831533316 605121470 /nfs/dbraw/zinc/12/14/70/605121470.db2.gz IOSONNVAWMYPKJ-UHFFFAOYSA-N -1 0 320.367 -0.694 20 0 DBADRM C[C@@H]1CN(CC2(O)CCS(=O)(=O)CC2)CCN1C(=O)[O-] ZINC000826050518 605122600 /nfs/dbraw/zinc/12/26/00/605122600.db2.gz XYBHXIJIFVYDLL-SNVBAGLBSA-N -1 0 306.384 -0.390 20 0 DBADRM COC(=O)C[C@H]1NC(=O)N(CC2CCN(C(=O)[O-])CC2)C1=O ZINC000828664061 605122603 /nfs/dbraw/zinc/12/26/03/605122603.db2.gz VGYOCJAWIQQOMO-SECBINFHSA-N -1 0 313.310 -0.140 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000740590131 605124759 /nfs/dbraw/zinc/12/47/59/605124759.db2.gz WDPDKLQLSWKKMV-VIFPVBQESA-N -1 0 305.294 -0.636 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N1CC[C@H](NC(=O)[O-])C1)n1cccn1 ZINC000738605525 605141040 /nfs/dbraw/zinc/14/10/40/605141040.db2.gz WNUKLWHWFWWNNW-MNOVXSKESA-N -1 0 323.353 -0.229 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN2C(=O)CC[C@@H]2C1)C(=O)[O-] ZINC000833638844 605147794 /nfs/dbraw/zinc/14/77/94/605147794.db2.gz KOMPLHZZVMEUNV-MISXGVKJSA-N -1 0 311.382 -0.092 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000833469658 605148335 /nfs/dbraw/zinc/14/83/35/605148335.db2.gz XWPVAWFCDJJBSH-VHSXEESVSA-N -1 0 321.399 -0.324 20 0 DBADRM Cc1nnc(CCNC(=O)CN2CCC(NC(=O)[O-])CC2)[nH]1 ZINC000830741377 605158220 /nfs/dbraw/zinc/15/82/20/605158220.db2.gz GAZMEEGJEBUXQC-UHFFFAOYSA-N -1 0 310.358 -0.496 20 0 DBADRM CS[C@H](CO)[C@@H](C)NC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000829710465 605160006 /nfs/dbraw/zinc/16/00/06/605160006.db2.gz NCBXSKKMNVYGHQ-MWLCHTKSSA-N -1 0 319.427 -0.053 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(C)(C)S(C)(=O)=O ZINC000833621751 605161227 /nfs/dbraw/zinc/16/12/27/605161227.db2.gz NQSJMFVKVFGICM-JTQLQIEISA-N -1 0 320.411 -0.183 20 0 DBADRM NC(=O)C(NC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)[O-])C(N)=O ZINC000831167789 605170786 /nfs/dbraw/zinc/17/07/86/605170786.db2.gz PQILUNCUZCQCRU-YUMQZZPRSA-N -1 0 314.342 -0.952 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CN1C[C@@H](C(=O)[O-])CC1=O ZINC000833588795 605172583 /nfs/dbraw/zinc/17/25/83/605172583.db2.gz RUHORKDEWZKHNY-UTLUCORTSA-N -1 0 304.368 -0.616 20 0 DBADRM CS(=O)(=O)CCN(CN1C[C@H](C(=O)[O-])CC1=O)C1CC1 ZINC000833738059 605177129 /nfs/dbraw/zinc/17/71/29/605177129.db2.gz MSAYDJJOSRANPH-SECBINFHSA-N -1 0 304.368 -0.614 20 0 DBADRM COc1cc2c(nn1)CCN(C(=O)NC1CN(C(=O)[O-])C1)C2 ZINC000829224623 605180094 /nfs/dbraw/zinc/18/00/94/605180094.db2.gz KABVPXLQYBFQSE-UHFFFAOYSA-N -1 0 307.310 -0.085 20 0 DBADRM CCc1nc([C@H]2CN(C(=O)NC3CN(C(=O)[O-])C3)CCO2)n[nH]1 ZINC000827620915 605180188 /nfs/dbraw/zinc/18/01/88/605180188.db2.gz OFQMHPLTWRKCAA-SECBINFHSA-N -1 0 324.341 -0.188 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000738540537 605183507 /nfs/dbraw/zinc/18/35/07/605183507.db2.gz QRUSFYAQNVTVJR-SNVBAGLBSA-N -1 0 320.367 -0.381 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC(C)(C)C(=O)[O-] ZINC000833437586 605183726 /nfs/dbraw/zinc/18/37/26/605183726.db2.gz CDQGVNMFEUGFSF-UHFFFAOYSA-N -1 0 317.342 -0.393 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(c2ccc(F)cn2)CC1 ZINC000833404170 605184415 /nfs/dbraw/zinc/18/44/15/605184415.db2.gz IHEAOZZGMDBBEE-SNVBAGLBSA-N -1 0 310.329 -0.068 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000824959958 605185251 /nfs/dbraw/zinc/18/52/51/605185251.db2.gz ONGHFNKTSJURHT-RKDXNWHRSA-N -1 0 307.372 -0.139 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(Cc2nc(N)nc(N(C)C)n2)n1 ZINC000833712087 605188417 /nfs/dbraw/zinc/18/84/17/605188417.db2.gz XLIDURKBSRYCIR-UHFFFAOYSA-N -1 0 321.297 -0.751 20 0 DBADRM O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NC1CCCC1 ZINC000831497227 605200558 /nfs/dbraw/zinc/20/05/58/605200558.db2.gz ALSVZJXCBBWKJP-JTQLQIEISA-N -1 0 300.311 -0.033 20 0 DBADRM C[C@H]1CC(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000707189677 605206053 /nfs/dbraw/zinc/20/60/53/605206053.db2.gz HFAAXKRXGIVTQL-ZETCQYMHSA-N -1 0 302.308 -0.123 20 0 DBADRM C[C@@H](COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)CS(C)(=O)=O ZINC000824986993 605209807 /nfs/dbraw/zinc/20/98/07/605209807.db2.gz KEVKYVOWIPULCI-IUCAKERBSA-N -1 0 309.340 -0.411 20 0 DBADRM COCCCNC(=O)[C@@H](C)OC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828950547 605210749 /nfs/dbraw/zinc/21/07/49/605210749.db2.gz LXQQNCSFHLBCBY-ZJUUUORDSA-N -1 0 318.326 -0.550 20 0 DBADRM C[C@@H](OC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000833527953 605212647 /nfs/dbraw/zinc/21/26/47/605212647.db2.gz HCMBVJQOOICDRP-SSDOTTSWSA-N -1 0 304.299 -0.356 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000827480904 605223186 /nfs/dbraw/zinc/22/31/86/605223186.db2.gz QLNMMHVDSCWFRA-VIFPVBQESA-N -1 0 324.355 -0.762 20 0 DBADRM COCCN(CC(=O)N[C@H](C)[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC000828970670 605224469 /nfs/dbraw/zinc/22/44/69/605224469.db2.gz CNFAGCNVTOWGNR-MNOVXSKESA-N -1 0 303.359 -0.552 20 0 DBADRM C[C@@H](OC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C(=O)NC1CC1 ZINC000825584553 605227443 /nfs/dbraw/zinc/22/74/43/605227443.db2.gz CJRTZOIWDYBPEX-SCZZXKLOSA-N -1 0 300.311 -0.034 20 0 DBADRM COC(=O)N1CC(NC(=O)N[C@@H](CNC(=O)[O-])C2CC2)C1 ZINC000828704549 605229835 /nfs/dbraw/zinc/22/98/35/605229835.db2.gz LCLGXYOMWYXCOB-VIFPVBQESA-N -1 0 300.315 -0.218 20 0 DBADRM C[C@@H](NC(=O)N1CC[C@@H](NC(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC000825150980 605232640 /nfs/dbraw/zinc/23/26/40/605232640.db2.gz ZLKBUJYRSXIAKS-MXWKQRLJSA-N -1 0 300.359 -0.243 20 0 DBADRM Cc1nn(C)c2c1N(S(=O)(=O)C[C@H](C)C(=O)[O-])CCO2 ZINC000833757127 605244968 /nfs/dbraw/zinc/24/49/68/605244968.db2.gz WXVBSFJRUPNRMP-ZETCQYMHSA-N -1 0 303.340 -0.022 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(CCn2ccccc2=O)CC1 ZINC000833771562 605248587 /nfs/dbraw/zinc/24/85/87/605248587.db2.gz JBCICJCDWCRIMX-OLZOCXBDSA-N -1 0 319.361 -0.287 20 0 DBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)N[C@@H]1CCCCNC1=O ZINC000831513305 605262184 /nfs/dbraw/zinc/26/21/84/605262184.db2.gz OZNDWDKEQZTZCZ-GHMZBOCLSA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])N1CCC[C@@H](OCC(=O)NCCCn2cncn2)C1 ZINC000831512919 605262238 /nfs/dbraw/zinc/26/22/38/605262238.db2.gz KGNFQJUTGXPXEK-LLVKDONJSA-N -1 0 311.342 -0.057 20 0 DBADRM CN(C)C(=O)CCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827961215 605267776 /nfs/dbraw/zinc/26/77/76/605267776.db2.gz RGZVZHHQMGTIBJ-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC000833422605 605268796 /nfs/dbraw/zinc/26/87/96/605268796.db2.gz JXFCGFGESNMRTI-DTWKUNHWSA-N -1 0 318.395 -0.114 20 0 DBADRM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC000833422607 605269072 /nfs/dbraw/zinc/26/90/72/605269072.db2.gz JXFCGFGESNMRTI-RKDXNWHRSA-N -1 0 318.395 -0.114 20 0 DBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)NC[C@@H]1COCCO1 ZINC000831512780 605271440 /nfs/dbraw/zinc/27/14/40/605271440.db2.gz IEMKXALFLWTAHR-WDEREUQCSA-N -1 0 302.327 -0.323 20 0 DBADRM NS(=O)(=O)CCCNC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000831245002 605272634 /nfs/dbraw/zinc/27/26/34/605272634.db2.gz FKTDNDZNDNLMCL-UHFFFAOYSA-N -1 0 315.351 -0.034 20 0 DBADRM CC(=O)[C@H]1CC(C(=O)N[C@@H](CO)C(=O)[O-])=NN1c1ccccc1 ZINC000833388608 605280426 /nfs/dbraw/zinc/28/04/26/605280426.db2.gz YMFKROOWWIYHEW-QWHCGFSZSA-N -1 0 319.317 -0.228 20 0 DBADRM CC(=O)NCc1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000315347897 605283917 /nfs/dbraw/zinc/28/39/17/605283917.db2.gz YEYHGFSCTMLZJK-OLZOCXBDSA-N -1 0 306.318 -0.017 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCCCNC(=O)[O-] ZINC000823760343 605286016 /nfs/dbraw/zinc/28/60/16/605286016.db2.gz RGWJSIJOOFGPRB-MRVPVSSYSA-N -1 0 309.388 -0.276 20 0 DBADRM C[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC000825128917 605296183 /nfs/dbraw/zinc/29/61/83/605296183.db2.gz YFFXLUXBEBQESJ-KOLCDFICSA-N -1 0 301.343 -0.800 20 0 DBADRM CC(C)OC[C@@H](O)CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O ZINC000824393414 605297382 /nfs/dbraw/zinc/29/73/82/605297382.db2.gz IVSZIAPGSKBQFK-TVQRCGJNSA-N -1 0 315.326 -0.553 20 0 DBADRM CC[C@@H]1C(=O)NCCN1C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000826659804 605299950 /nfs/dbraw/zinc/29/99/50/605299950.db2.gz HCJISEHQTJHGCZ-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCC(=O)NCC2CC2)cn1 ZINC000833765058 605301528 /nfs/dbraw/zinc/30/15/28/605301528.db2.gz VHWMEGQPIDOTNR-UHFFFAOYSA-N -1 0 313.335 -0.416 20 0 DBADRM O=C([O-])N1CC(OCCC(=O)N2CCC3(C2)OCCO3)C1 ZINC000834071613 605306966 /nfs/dbraw/zinc/30/69/66/605306966.db2.gz ACIUFSXJGJCWQX-UHFFFAOYSA-N -1 0 300.311 -0.269 20 0 DBADRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCCS(N)(=O)=O ZINC000833826276 605310783 /nfs/dbraw/zinc/31/07/83/605310783.db2.gz RFSKUCFOIBCQIS-LDYMZIIASA-N -1 0 307.372 -0.392 20 0 DBADRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCCS(N)(=O)=O ZINC000833826274 605310948 /nfs/dbraw/zinc/31/09/48/605310948.db2.gz RFSKUCFOIBCQIS-KCJUWKMLSA-N -1 0 307.372 -0.392 20 0 DBADRM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCCS(N)(=O)=O ZINC000833826273 605311277 /nfs/dbraw/zinc/31/12/77/605311277.db2.gz RFSKUCFOIBCQIS-GZMMTYOYSA-N -1 0 307.372 -0.392 20 0 DBADRM CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833867831 605311557 /nfs/dbraw/zinc/31/15/57/605311557.db2.gz YDPSCIUIWLALMK-SFYZADRCSA-N -1 0 324.341 -0.697 20 0 DBADRM Cn1cc(N2CC[C@@H](OC(=O)C=C3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000833949382 605314125 /nfs/dbraw/zinc/31/41/25/605314125.db2.gz IEAQMZLLJBABMH-LLVKDONJSA-N -1 0 320.305 -0.011 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)CCOC2CN(C(=O)[O-])C2)cn1 ZINC000833947811 605314271 /nfs/dbraw/zinc/31/42/71/605314271.db2.gz UVOXIYOYHONWDH-LLVKDONJSA-N -1 0 312.326 -0.661 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)OCC(=O)N1CCCC1=O ZINC000834137488 605319096 /nfs/dbraw/zinc/31/90/96/605319096.db2.gz LEZLNRXQXRJVBL-LURJTMIESA-N -1 0 308.237 -0.030 20 0 DBADRM CCC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1nnn[n-]1 ZINC000825242170 607748636 /nfs/dbraw/zinc/74/86/36/607748636.db2.gz KBOZKPRHZKSTIV-ZCFIWIBFSA-N -1 0 302.302 -0.021 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000834196653 605334862 /nfs/dbraw/zinc/33/48/62/605334862.db2.gz PILYSDCCLPJWDB-SECBINFHSA-N -1 0 323.305 -0.674 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000834198578 605336875 /nfs/dbraw/zinc/33/68/75/605336875.db2.gz LPVMCLHYYGIPPD-UHFFFAOYSA-N -1 0 309.278 -0.220 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccc2c1OCCO2 ZINC000834198617 605340444 /nfs/dbraw/zinc/34/04/44/605340444.db2.gz MNEMABYGXZFNPF-UHFFFAOYSA-N -1 0 309.278 -0.220 20 0 DBADRM O=C(COC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)NC1CC1 ZINC000831508149 605340534 /nfs/dbraw/zinc/34/05/34/605340534.db2.gz XEEXROKJKKVNCG-SNVBAGLBSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1COc2ccccc2C1 ZINC000834195621 605345229 /nfs/dbraw/zinc/34/52/29/605345229.db2.gz DBOFHUHHUVIUHY-JTQLQIEISA-N -1 0 307.306 -0.510 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCCC2(CCOCC2)C1 ZINC000834194817 605348779 /nfs/dbraw/zinc/34/87/79/605348779.db2.gz OXTCSGAWPIRZOF-UHFFFAOYSA-N -1 0 313.354 -0.211 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cnn(CC(F)F)c1 ZINC000834198504 605349392 /nfs/dbraw/zinc/34/93/92/605349392.db2.gz IVPGQENDYJPVNO-UHFFFAOYSA-N -1 0 305.241 -0.530 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)CNC(=O)[O-])s1 ZINC000286693928 605351339 /nfs/dbraw/zinc/35/13/39/605351339.db2.gz HAMQYQSEAYSFAH-UHFFFAOYSA-N -1 0 321.380 -0.281 20 0 DBADRM O=C(CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O)NC1CCCC1 ZINC000831480800 605352607 /nfs/dbraw/zinc/35/26/07/605352607.db2.gz TVLZWIFLRCNXIS-AWEZNQCLSA-N -1 0 324.337 -0.281 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000834195784 605352679 /nfs/dbraw/zinc/35/26/79/605352679.db2.gz FZXZWECXUHGHST-SNVBAGLBSA-N -1 0 313.354 -0.022 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CC[C@H](Oc2ccccn2)C1 ZINC000834192048 605352949 /nfs/dbraw/zinc/35/29/49/605352949.db2.gz AQYLDYANQWCDLI-JTQLQIEISA-N -1 0 322.321 -0.555 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NC[C@H](O)C1CCOCC1 ZINC000831380656 605352991 /nfs/dbraw/zinc/35/29/91/605352991.db2.gz GKLBBRISRGFWQK-NEPJUHHUSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000834195756 605364754 /nfs/dbraw/zinc/36/47/54/605364754.db2.gz FIGFEJUYFRMWCY-SNVBAGLBSA-N -1 0 322.321 -0.335 20 0 DBADRM COC[C@](C)(O)CNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828896970 605365529 /nfs/dbraw/zinc/36/55/29/605365529.db2.gz MXZJWGYIDGDZRB-ZWNOBZJWSA-N -1 0 304.343 -0.341 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N(CCO)Cc1ccccc1 ZINC000834192057 605366008 /nfs/dbraw/zinc/36/60/08/605366008.db2.gz AZFNXMHTAUGLCT-UHFFFAOYSA-N -1 0 309.322 -0.609 20 0 DBADRM COCCN(CC(=O)N(C)C[C@H](O)C(F)(F)F)C(=O)[O-] ZINC000833883574 605368475 /nfs/dbraw/zinc/36/84/75/605368475.db2.gz MGQXOZLEKRIMEV-ZETCQYMHSA-N -1 0 302.249 -0.006 20 0 DBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NCc1nnnn1C1CC1 ZINC000831516694 605369180 /nfs/dbraw/zinc/36/91/80/605369180.db2.gz ILJMERMJTAFUQN-SNVBAGLBSA-N -1 0 324.341 -0.217 20 0 DBADRM CN(C)c1nc(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])ns1 ZINC000828077020 605371657 /nfs/dbraw/zinc/37/16/57/605371657.db2.gz IPANKWLVDVTJHS-BQBZGAKWSA-N -1 0 316.339 -0.240 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@H](C)NC(=O)[O-])C[C@@H]1C ZINC000833878155 605374206 /nfs/dbraw/zinc/37/42/06/605374206.db2.gz DXPBPULCWOFWAE-UWVGGRQHSA-N -1 0 301.343 -0.262 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000834195194 605374669 /nfs/dbraw/zinc/37/46/69/605374669.db2.gz SAYQFZLGZMXHPN-GHMZBOCLSA-N -1 0 313.354 -0.355 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)NC1CCCCC1 ZINC000834198474 605382828 /nfs/dbraw/zinc/38/28/28/605382828.db2.gz HQSOAAROUHDBIG-UHFFFAOYSA-N -1 0 315.326 -0.638 20 0 DBADRM O=C([O-])NCCCNC(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000834237649 605384913 /nfs/dbraw/zinc/38/49/13/605384913.db2.gz ITTXQUZNOCCMFB-VIFPVBQESA-N -1 0 307.372 -0.089 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@H](O)Cc1ccccc1 ZINC000834197111 605388973 /nfs/dbraw/zinc/38/89/73/605388973.db2.gz QJPLALUFOMKCGQ-LLVKDONJSA-N -1 0 309.322 -0.910 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H](CCO)c1cccs1 ZINC000834197289 605391670 /nfs/dbraw/zinc/39/16/70/605391670.db2.gz QKWPLROFFNMRON-MRVPVSSYSA-N -1 0 315.351 -0.328 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCc2ccc(O)cc2C1 ZINC000834193567 605392353 /nfs/dbraw/zinc/39/23/53/605392353.db2.gz GUSGRYQSXGYTKT-UHFFFAOYSA-N -1 0 307.306 -0.339 20 0 DBADRM COCCNC(=O)CNC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000828993192 605399008 /nfs/dbraw/zinc/39/90/08/605399008.db2.gz YOWPFSSVHILZFY-UHFFFAOYSA-N -1 0 309.322 -0.053 20 0 DBADRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NCCn1ncnn1 ZINC000832146990 605399666 /nfs/dbraw/zinc/39/96/66/605399666.db2.gz ACBREQTXDJHUDL-NSHDSACASA-N -1 0 304.310 -0.332 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000834199423 605399961 /nfs/dbraw/zinc/39/99/61/605399961.db2.gz ZZYUKYPRHHPRNH-UHFFFAOYSA-N -1 0 318.293 -0.206 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCCO1 ZINC000833894303 605401087 /nfs/dbraw/zinc/40/10/87/605401087.db2.gz JZCGNAQNIZGBDP-BDAKNGLRSA-N -1 0 308.356 -0.648 20 0 DBADRM Cc1oc(C(=O)NOC[C@H](C)NC(=O)[O-])cc1S(N)(=O)=O ZINC000833934440 605402127 /nfs/dbraw/zinc/40/21/27/605402127.db2.gz KJMQXWRPKZYWHG-YFKPBYRVSA-N -1 0 321.311 -0.447 20 0 DBADRM O=C([O-])N1CC[C@H](CNC(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000834026556 605403337 /nfs/dbraw/zinc/40/33/37/605403337.db2.gz JLQKZWJREWIQMH-ZJUUUORDSA-N -1 0 319.383 -0.137 20 0 DBADRM COCCN(CCNC(=O)NC[C@H]1COCCO1)C(=O)[O-] ZINC000833886918 605404053 /nfs/dbraw/zinc/40/40/53/605404053.db2.gz ZQRXYBMBZRIXKC-JTQLQIEISA-N -1 0 305.331 -0.673 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NCC[C@@H]1CCCO1 ZINC000833893660 605406177 /nfs/dbraw/zinc/40/61/77/605406177.db2.gz CNZWLTDFLLQBDE-UWVGGRQHSA-N -1 0 322.383 -0.257 20 0 DBADRM COCCN(CCNC(=O)N[C@@H]1CCCCNC1=O)C(=O)[O-] ZINC000833885772 605406284 /nfs/dbraw/zinc/40/62/84/605406284.db2.gz JTKBJMAZWGSRSJ-SNVBAGLBSA-N -1 0 316.358 -0.419 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NC[C@H](O)CN1CCOCC1 ZINC000833795786 605406355 /nfs/dbraw/zinc/40/63/55/605406355.db2.gz WDTAQCMDSDSREH-RYUDHWBXSA-N -1 0 317.386 -0.522 20 0 DBADRM O=C([O-])N1CC(CNC(=O)N2CCC3(COC(=O)N3)CC2)C1 ZINC000834288225 605406609 /nfs/dbraw/zinc/40/66/09/605406609.db2.gz DLBDWWJDZJVQAJ-UHFFFAOYSA-N -1 0 312.326 -0.120 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@H](O)CN1CCOCC1 ZINC000827084495 605406686 /nfs/dbraw/zinc/40/66/86/605406686.db2.gz ZDNAPRNHBVSHKU-QWRGUYRKSA-N -1 0 303.359 -0.912 20 0 DBADRM Cn1c(Cl)cnc1COC(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833941738 605416970 /nfs/dbraw/zinc/41/69/70/605416970.db2.gz FGEWOTDBGWOOJT-YFKPBYRVSA-N -1 0 304.690 -0.372 20 0 DBADRM C=CC(=O)NCCNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000823485865 605430418 /nfs/dbraw/zinc/43/04/18/605430418.db2.gz KLOISEHBGQNQBW-SECBINFHSA-N -1 0 301.368 -0.110 20 0 DBADRM NS(=O)(=O)CCCOC(=O)CC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833986325 605431207 /nfs/dbraw/zinc/43/12/07/605431207.db2.gz OIKROOYMBFDXNF-SECBINFHSA-N -1 0 308.356 -0.012 20 0 DBADRM Cc1cc(C(=O)N(CC(N)=O)CC(N)=O)ccc1NC(=O)[O-] ZINC000829914589 605431445 /nfs/dbraw/zinc/43/14/45/605431445.db2.gz PEIUENNTBUGXIS-UHFFFAOYSA-N -1 0 308.294 -0.502 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NCC1(O)CCCC1 ZINC000833895243 605431724 /nfs/dbraw/zinc/43/17/24/605431724.db2.gz RRYSPZFWTIWMED-VIFPVBQESA-N -1 0 322.383 -0.521 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(CNC(N)=O)cc1 ZINC000833984150 605435073 /nfs/dbraw/zinc/43/50/73/605435073.db2.gz NFRLTBBKVSAGJZ-VIFPVBQESA-N -1 0 323.309 -0.695 20 0 DBADRM O=C([O-])N1CC[C@H](C(=O)N2CCC(C(=O)NCCO)CC2)C1 ZINC000831693163 605436137 /nfs/dbraw/zinc/43/61/37/605436137.db2.gz JORBVVLWLPYBQG-NSHDSACASA-N -1 0 313.354 -0.667 20 0 DBADRM C[C@@]1(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-])CCCO1 ZINC000833824222 605436343 /nfs/dbraw/zinc/43/63/43/605436343.db2.gz VCMWXDFHBRKDMP-SKDRFNHKSA-N -1 0 322.383 -0.257 20 0 DBADRM Cn1ccc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-])c1 ZINC000833952732 605438146 /nfs/dbraw/zinc/43/81/46/605438146.db2.gz LSEJIRFCHWFFGQ-SNVBAGLBSA-N -1 0 317.367 -0.288 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H]1[C@H]1CCCC1=O ZINC000834194077 605439934 /nfs/dbraw/zinc/43/99/34/605439934.db2.gz KALPWELXGPUBKQ-ZJUUUORDSA-N -1 0 311.338 -0.270 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC000832689944 605443332 /nfs/dbraw/zinc/44/33/32/605443332.db2.gz CMXBEZGRAMWYNC-SNVBAGLBSA-N -1 0 305.290 -0.011 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827388026 605444297 /nfs/dbraw/zinc/44/42/97/605444297.db2.gz KZQKUSQOGSBZCJ-ZJUUUORDSA-N -1 0 318.326 -0.598 20 0 DBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC000832647763 605446096 /nfs/dbraw/zinc/44/60/96/605446096.db2.gz NDAYWBCXUUSHRY-QMMMGPOBSA-N -1 0 310.314 -0.959 20 0 DBADRM CC[C@H](CO)N1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000826587769 605447206 /nfs/dbraw/zinc/44/72/06/605447206.db2.gz XPCRJMMLEDWXTF-GHMZBOCLSA-N -1 0 317.411 -0.046 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000833955941 605447732 /nfs/dbraw/zinc/44/77/32/605447732.db2.gz FZFNKBVDTYOUGE-VHSXEESVSA-N -1 0 309.326 -0.143 20 0 DBADRM O=C([O-])N1CCC[C@@H]1C(=O)N(CCO)CCN1CCOCC1 ZINC000831283294 605448143 /nfs/dbraw/zinc/44/81/43/605448143.db2.gz LYXXHYMEPAPHGE-GFCCVEGCSA-N -1 0 315.370 -0.718 20 0 DBADRM Cn1cc(NC(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])ccc1=O ZINC000828507024 605452431 /nfs/dbraw/zinc/45/24/31/605452431.db2.gz LZDJMAONIYBJRX-LLVKDONJSA-N -1 0 323.353 -0.199 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)N1CCCS(=O)(=O)CC1)C1CC1 ZINC000834205154 605457538 /nfs/dbraw/zinc/45/75/38/605457538.db2.gz KNYXKDDVJZMUOR-JTQLQIEISA-N -1 0 319.383 -0.137 20 0 DBADRM O=C([O-])NCC1CCN(c2ccc(C(=O)NCCO)nn2)CC1 ZINC000832596695 605458375 /nfs/dbraw/zinc/45/83/75/605458375.db2.gz WTSPMTRFAXWLGQ-UHFFFAOYSA-N -1 0 323.353 -0.317 20 0 DBADRM O=C([O-])N1CC(CNC(=O)N2CCCS(=O)(=O)CC2)C1 ZINC000834066915 605459573 /nfs/dbraw/zinc/45/95/73/605459573.db2.gz KOHXXSZJMSLRNG-UHFFFAOYSA-N -1 0 305.356 -0.574 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000825507071 605465207 /nfs/dbraw/zinc/46/52/07/605465207.db2.gz AYHXRKGUFARSPR-SCZZXKLOSA-N -1 0 319.383 -0.333 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC000833392477 605467669 /nfs/dbraw/zinc/46/76/69/605467669.db2.gz UGQNHFJQMCXTQV-OLZOCXBDSA-N -1 0 306.318 -0.479 20 0 DBADRM O=C([O-])N1CC[C@@H](CCC(=O)N2CC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000834289614 605476868 /nfs/dbraw/zinc/47/68/68/605476868.db2.gz MYXNSHMLCKECKW-YMTOWFKASA-N -1 0 324.337 -0.423 20 0 DBADRM O=C([O-])N1CC[C@H](CCC(=O)N2CC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000834289606 605477494 /nfs/dbraw/zinc/47/74/94/605477494.db2.gz MYXNSHMLCKECKW-LKFCYVNXSA-N -1 0 324.337 -0.423 20 0 DBADRM CN(CCN(C)C(=S)NCCN1CCOCC1)C(=O)[O-] ZINC000833873256 605479098 /nfs/dbraw/zinc/47/90/98/605479098.db2.gz FFRHVEHPOGVOAB-UHFFFAOYSA-N -1 0 304.416 -0.265 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N[C@H](C)CCNC(=O)[O-])n1C ZINC000833923209 605479204 /nfs/dbraw/zinc/47/92/04/605479204.db2.gz FMSLBWHTNQTFHS-SECBINFHSA-N -1 0 312.374 -0.282 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000833820462 605485700 /nfs/dbraw/zinc/48/57/00/605485700.db2.gz ZHTARRREOJAAKJ-AEJSXWLSSA-N -1 0 319.383 -0.139 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000833820466 605485738 /nfs/dbraw/zinc/48/57/38/605485738.db2.gz ZHTARRREOJAAKJ-LPEHRKFASA-N -1 0 319.383 -0.139 20 0 DBADRM CC(C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)C(N)=O ZINC000833792757 605496625 /nfs/dbraw/zinc/49/66/25/605496625.db2.gz NOXRGAJUEQWRIF-UWVGGRQHSA-N -1 0 316.358 -0.979 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NCCS(C)(=O)=O)C1 ZINC000833815970 605508189 /nfs/dbraw/zinc/50/81/89/605508189.db2.gz JFRTTYJIJVBYQS-RKDXNWHRSA-N -1 0 307.372 -0.281 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)OCc1cnn(C)c1 ZINC000833797909 605512777 /nfs/dbraw/zinc/51/27/77/605512777.db2.gz NKKAXBCTFDSLNW-NSHDSACASA-N -1 0 312.326 -0.128 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000833883623 605521003 /nfs/dbraw/zinc/52/10/03/605521003.db2.gz NWIUFNUACUKDEW-VHSXEESVSA-N -1 0 309.388 -0.213 20 0 DBADRM CN(CCNS(=O)(=O)c1cnn(C)c1)CCN(C)C(=O)[O-] ZINC000833872160 605526247 /nfs/dbraw/zinc/52/62/47/605526247.db2.gz GKQVXYNDCAZSOY-UHFFFAOYSA-N -1 0 319.387 -0.760 20 0 DBADRM NC(=O)C1(NC(=O)CC[C@H]2CCN(C(=O)[O-])C2)CCOCC1 ZINC000833980592 605526393 /nfs/dbraw/zinc/52/63/93/605526393.db2.gz LNQWXFNMNNWGGE-JTQLQIEISA-N -1 0 313.354 -0.083 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCOC2(CCOCC2)C1 ZINC000831282899 605528867 /nfs/dbraw/zinc/52/88/67/605528867.db2.gz IASZQFNQOAPSPQ-NSHDSACASA-N -1 0 314.338 -0.227 20 0 DBADRM CC[C@@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)N1CCCC1=O ZINC000833635866 605535089 /nfs/dbraw/zinc/53/50/89/605535089.db2.gz BHJAVIPGELXQGU-NSHDSACASA-N -1 0 321.337 -0.239 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC000833392788 605536716 /nfs/dbraw/zinc/53/67/16/605536716.db2.gz LOUNYDVQQLDXRV-AWEZNQCLSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)c1cnn(C)c1 ZINC000833402341 605536998 /nfs/dbraw/zinc/53/69/98/605536998.db2.gz JQHXLUAXTHVHFA-MRVPVSSYSA-N -1 0 304.310 -0.103 20 0 DBADRM C[C@@H](OC[C@H]1CCCO1)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000780315054 605540792 /nfs/dbraw/zinc/54/07/92/605540792.db2.gz NDRHGBJUBPAMQQ-MWLCHTKSSA-N -1 0 324.337 -0.056 20 0 DBADRM CC(C)(CC(=O)[O-])CC(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000833451717 605543469 /nfs/dbraw/zinc/54/34/69/605543469.db2.gz WWPNIPVKCMLJCP-UHFFFAOYSA-N -1 0 309.326 -0.349 20 0 DBADRM CN(CCCC(=O)OCCN1CCCS1(=O)=O)C(=O)[O-] ZINC000828284562 605544734 /nfs/dbraw/zinc/54/47/34/605544734.db2.gz DFXFSLIZNXHLQY-UHFFFAOYSA-N -1 0 308.356 -0.045 20 0 DBADRM C[C@@]1(c2cccc(C(=O)NCCNC(=O)[O-])c2)NC(=O)NC1=O ZINC000825772448 605548308 /nfs/dbraw/zinc/54/83/08/605548308.db2.gz KISPMVDOEQMUEW-AWEZNQCLSA-N -1 0 320.305 -0.261 20 0 DBADRM COCC1(O)CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000833882723 605549111 /nfs/dbraw/zinc/54/91/11/605549111.db2.gz WQIFCXRYYHQPHF-NSHDSACASA-N -1 0 316.354 -0.245 20 0 DBADRM COCC1(O)CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000833881440 605550083 /nfs/dbraw/zinc/55/00/83/605550083.db2.gz CHSIDUZTRPQYNS-JTQLQIEISA-N -1 0 302.327 -0.635 20 0 DBADRM O=C([O-])N1CC(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000834017135 605553917 /nfs/dbraw/zinc/55/39/17/605553917.db2.gz IDNGSPAEHKBBPC-SSDOTTSWSA-N -1 0 309.244 -0.124 20 0 DBADRM C[C@@H](O)c1cn(C2CN(S(=O)(=O)C[C@H](C)C(=O)[O-])C2)nn1 ZINC000833518850 605559210 /nfs/dbraw/zinc/55/92/10/605559210.db2.gz JZGDDOLOWPNGFI-JGVFFNPUSA-N -1 0 318.355 -0.761 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC000833616456 605559288 /nfs/dbraw/zinc/55/92/88/605559288.db2.gz UWBUPMVNRKELIH-QMMMGPOBSA-N -1 0 315.355 -0.580 20 0 DBADRM O=C([O-])N1CCN(CC(=O)Nc2nc3cc[nH]cc-3n2)C(=O)C1 ZINC000834004776 605590450 /nfs/dbraw/zinc/59/04/50/605590450.db2.gz GNBKRDKHAMZDPF-UHFFFAOYSA-N -1 0 318.293 -0.281 20 0 DBADRM O=C([O-])N1CCC[C@H](n2cc(C(=O)N3CCNC(=O)C3)cn2)C1 ZINC000834289053 605605479 /nfs/dbraw/zinc/60/54/79/605605479.db2.gz IGBOOXODUZHXMV-NSHDSACASA-N -1 0 321.337 -0.230 20 0 DBADRM O=C([O-])N1CC(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000834065761 605605943 /nfs/dbraw/zinc/60/59/43/605605943.db2.gz MXDLCRFLMAIGKY-NSHDSACASA-N -1 0 311.338 -0.554 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)NCCCN1C(=O)CCC1=O ZINC000823986990 605612279 /nfs/dbraw/zinc/61/22/79/605612279.db2.gz ZMDUZWOYHCPWPQ-UHFFFAOYSA-N -1 0 314.342 -0.129 20 0 DBADRM C[C@H](O)[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000167693119 605612858 /nfs/dbraw/zinc/61/28/58/605612858.db2.gz FFDUYPFBUBBPFZ-ONGXEEELSA-N -1 0 306.384 -0.270 20 0 DBADRM O=C([O-])N[C@H](CC(=O)N1CCC2(CC1)NC(=O)NC2=O)C1CC1 ZINC000834123101 605619845 /nfs/dbraw/zinc/61/98/45/605619845.db2.gz VVQKVWVXGHYLGS-SECBINFHSA-N -1 0 324.337 -0.377 20 0 DBADRM O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)NCC(=O)NCCO ZINC000834187736 605622942 /nfs/dbraw/zinc/62/29/42/605622942.db2.gz YYHSHXYPWZHPBZ-GHMZBOCLSA-N -1 0 315.370 -0.182 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NC[C@H](CO)Cc1ccco1 ZINC000831616278 605624308 /nfs/dbraw/zinc/62/43/08/605624308.db2.gz RRMDDDFURAJNFB-SCVCMEIPSA-N -1 0 312.322 -0.340 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@@H](CO)Cc1ccco1 ZINC000831615751 605624340 /nfs/dbraw/zinc/62/43/40/605624340.db2.gz DFJGEYRUHPWSNS-JQWIXIFHSA-N -1 0 312.322 -0.074 20 0 DBADRM Cn1nccc1NC(=O)C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000833964373 605633494 /nfs/dbraw/zinc/63/34/94/605633494.db2.gz XWFPEMQNPGSFRD-UHFFFAOYSA-N -1 0 309.326 -0.135 20 0 DBADRM O=C([O-])NCCNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000834239759 605634407 /nfs/dbraw/zinc/63/44/07/605634407.db2.gz OVMTXZXHLAZCOA-UHFFFAOYSA-N -1 0 323.231 -0.232 20 0 DBADRM C[C@H]1CN(C(=O)NCCNC(=O)c2ccn[nH]2)C[C@@H]1C(=O)[O-] ZINC000833620407 605636972 /nfs/dbraw/zinc/63/69/72/605636972.db2.gz FXLPYQMSSLLGTB-IUCAKERBSA-N -1 0 309.326 -0.498 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000825778380 605638090 /nfs/dbraw/zinc/63/80/90/605638090.db2.gz MIJJTSBSHKENKZ-BDAKNGLRSA-N -1 0 301.368 -0.181 20 0 DBADRM O=C([O-])N[C@H]1CC[C@H](C(=O)OCCN2CCOCC2=O)C1 ZINC000834163080 605641931 /nfs/dbraw/zinc/64/19/31/605641931.db2.gz GEYWFZDXUCJLAV-UWVGGRQHSA-N -1 0 300.311 -0.175 20 0 DBADRM C[C@H](CCNC(=O)c1ccc(S(N)(=O)=O)cn1)NC(=O)[O-] ZINC000833804333 605644394 /nfs/dbraw/zinc/64/43/94/605644394.db2.gz FFNDWZCWSLFVKL-SSDOTTSWSA-N -1 0 316.339 -0.495 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)NCC1(CO)COC1 ZINC000833793233 605658362 /nfs/dbraw/zinc/65/83/62/605658362.db2.gz DCAWANDANOKOGM-SNVBAGLBSA-N -1 0 303.359 -0.023 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)O1 ZINC000833980605 605658836 /nfs/dbraw/zinc/65/88/36/605658836.db2.gz LQGIKPOLJZPOMR-LPEHRKFASA-N -1 0 314.342 -0.539 20 0 DBADRM O=C([O-])N(CCCNC(=O)NCC1(CO)COC1)C1CC1 ZINC000834039903 605658994 /nfs/dbraw/zinc/65/89/94/605658994.db2.gz HVNUALNNHDFFER-UHFFFAOYSA-N -1 0 301.343 -0.173 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)NC[C@H]1CCCS1(=O)=O ZINC000823986694 605660856 /nfs/dbraw/zinc/66/08/56/605660856.db2.gz WCEFETSVLGDQRK-MRVPVSSYSA-N -1 0 307.372 -0.091 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000833867624 605661449 /nfs/dbraw/zinc/66/14/49/605661449.db2.gz VXCNLUGQLKNESE-UHFFFAOYSA-N -1 0 307.310 -0.200 20 0 DBADRM O=C([O-])NCC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000834199928 605661805 /nfs/dbraw/zinc/66/18/05/605661805.db2.gz UGDIHKBSHHESJF-UHFFFAOYSA-N -1 0 307.353 -0.590 20 0 DBADRM O=C([O-])N(CC(=O)NCC1(CO)COC1)C[C@@H]1CCCO1 ZINC000834007182 605662583 /nfs/dbraw/zinc/66/25/83/605662583.db2.gz SDQZFMORSOONIW-JTQLQIEISA-N -1 0 302.327 -0.730 20 0 DBADRM O=C([O-])N1CCC[C@H](OCC(=O)NCC2(CO)COC2)C1 ZINC000834011738 605662811 /nfs/dbraw/zinc/66/28/11/605662811.db2.gz ZXDDEPRZQRWEMN-JTQLQIEISA-N -1 0 302.327 -0.730 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2 ZINC000833983854 605666077 /nfs/dbraw/zinc/66/60/77/605666077.db2.gz KXEGGAQFTQHQPN-MRVPVSSYSA-N -1 0 309.278 -0.092 20 0 DBADRM C[S@@](=O)c1cccc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])c1 ZINC000833893304 605668913 /nfs/dbraw/zinc/66/89/13/605668913.db2.gz MIUJURVRDWEHNR-AOUSDQRYSA-N -1 0 313.335 -0.126 20 0 DBADRM Cn1nc2c(c1NC(=O)C(=O)N[C@H]1CCN(C(=O)[O-])C1)CCC2 ZINC000833957030 605682159 /nfs/dbraw/zinc/68/21/59/605682159.db2.gz IOAXJGJAPXMPPQ-QMMMGPOBSA-N -1 0 321.337 -0.284 20 0 DBADRM CCNC(=O)NC(=O)CN1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC000833658235 605686758 /nfs/dbraw/zinc/68/67/58/605686758.db2.gz YCHHOOQPNGLJFH-BDAKNGLRSA-N -1 0 315.326 -0.830 20 0 DBADRM CNC(=O)CCN(C)C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000828538033 605694855 /nfs/dbraw/zinc/69/48/55/605694855.db2.gz OLUUSYZCKVBSTP-UHFFFAOYSA-N -1 0 300.359 -0.687 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1CC1(O)CCS(=O)(=O)CC1 ZINC000832573922 605696704 /nfs/dbraw/zinc/69/67/04/605696704.db2.gz VGNRYERGLRNFQH-JTQLQIEISA-N -1 0 306.384 -0.342 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1CC1(O)CCS(=O)(=O)CC1 ZINC000832573923 605696771 /nfs/dbraw/zinc/69/67/71/605696771.db2.gz VGNRYERGLRNFQH-SNVBAGLBSA-N -1 0 306.384 -0.342 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CC(n2cc(C(=O)OC)nn2)C1 ZINC000833863931 605699497 /nfs/dbraw/zinc/69/94/97/605699497.db2.gz FLTSRPGTGNHWDG-QMMMGPOBSA-N -1 0 311.298 -0.506 20 0 DBADRM Cn1cc(-c2nc([C@@H]3COCCN3C(=O)[O-])no2)c(=O)[nH]c1=O ZINC000833943258 605710201 /nfs/dbraw/zinc/71/02/01/605710201.db2.gz GEKRZYLPKYHLRF-ZETCQYMHSA-N -1 0 323.265 -0.413 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CCN(C(=O)[O-])C[C@H]2C)n1C ZINC000830887625 605713169 /nfs/dbraw/zinc/71/31/69/605713169.db2.gz OZUGDIMUJJGJEV-SNVBAGLBSA-N -1 0 324.385 -0.234 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000826019933 605713310 /nfs/dbraw/zinc/71/33/10/605713310.db2.gz IUIXNSCKPBLPJH-NXEZZACHSA-N -1 0 321.337 -0.027 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC(OCCCO)CC2)C1 ZINC000832051113 605716846 /nfs/dbraw/zinc/71/68/46/605716846.db2.gz TVKGRJCDPPUXCO-LBPRGKRZSA-N -1 0 316.354 -0.245 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000825014960 605721627 /nfs/dbraw/zinc/72/16/27/605721627.db2.gz BVWRFSMYWLNWIB-SECBINFHSA-N -1 0 321.399 -0.732 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H](CO)c1cccc(F)c1 ZINC000834196569 605722965 /nfs/dbraw/zinc/72/29/65/605722965.db2.gz KXNXPVYELUEZJQ-SNVBAGLBSA-N -1 0 313.285 -0.641 20 0 DBADRM O=C([O-])N1CC(CNC(=S)NCCN2CCOCC2)C1 ZINC000834068199 605723374 /nfs/dbraw/zinc/72/33/74/605723374.db2.gz UKJOYSRGNQGXED-UHFFFAOYSA-N -1 0 302.400 -0.608 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N[C@@H](CO)CC(F)(F)F ZINC000834014644 605723669 /nfs/dbraw/zinc/72/36/69/605723669.db2.gz MDXCGGJAYNULLC-RQJHMYQMSA-N -1 0 300.233 -0.205 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000829017635 605730068 /nfs/dbraw/zinc/73/00/68/605730068.db2.gz CBHOLSFFBMKUMD-UWVGGRQHSA-N -1 0 322.383 -0.305 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000736424585 605731978 /nfs/dbraw/zinc/73/19/78/605731978.db2.gz XRJXIWBJSBRMDE-SDBXPKJASA-N -1 0 312.326 -0.521 20 0 DBADRM O=C(CNC(=O)NCC1CN(C(=O)[O-])C1)NCc1ccco1 ZINC000834006258 605732287 /nfs/dbraw/zinc/73/22/87/605732287.db2.gz WMXSGRAOCPNQQQ-UHFFFAOYSA-N -1 0 310.310 -0.195 20 0 DBADRM O=C([O-])N1CCC(OC(=O)Cn2ncn3nccc3c2=O)CC1 ZINC000834012838 605733617 /nfs/dbraw/zinc/73/36/17/605733617.db2.gz ZVBASXKSIOTPJS-UHFFFAOYSA-N -1 0 321.293 -0.423 20 0 DBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CN1CCCS1(=O)=O ZINC000825810284 605737548 /nfs/dbraw/zinc/73/75/48/605737548.db2.gz UGAOVXXHGFFHHS-VHSXEESVSA-N -1 0 319.383 -0.331 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCC2(CO)CCOCC2)C1 ZINC000834023353 605743482 /nfs/dbraw/zinc/74/34/82/605743482.db2.gz YESGSRIYMDNRJS-JTQLQIEISA-N -1 0 302.327 -0.730 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000834019917 605748439 /nfs/dbraw/zinc/74/84/39/605748439.db2.gz SMIBTBMXCUWLAA-YAMSLAJTSA-N -1 0 314.338 -0.446 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccc2c(c1)OCCO2 ZINC000833982263 605748606 /nfs/dbraw/zinc/74/86/06/605748606.db2.gz JULWYONXPXQWTJ-VIFPVBQESA-N -1 0 323.305 -0.414 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)NCC1CN(C(=O)[O-])C1 ZINC000833991454 605750962 /nfs/dbraw/zinc/75/09/62/605750962.db2.gz AJQYYKNZTAKLMV-UHFFFAOYSA-N -1 0 305.356 -0.862 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCCn1cnc2ccccc21 ZINC000833981018 605753388 /nfs/dbraw/zinc/75/33/88/605753388.db2.gz AXMIOZKYWRRGHT-JTQLQIEISA-N -1 0 319.321 -0.336 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccc(CO)c(F)c1 ZINC000833981452 605753409 /nfs/dbraw/zinc/75/34/09/605753409.db2.gz FKJZATFWASVNSA-JTQLQIEISA-N -1 0 313.285 -0.554 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC000834041370 605753784 /nfs/dbraw/zinc/75/37/84/605753784.db2.gz JRWZIZOYFMOJML-LBPRGKRZSA-N -1 0 321.381 -0.143 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000833983563 605755608 /nfs/dbraw/zinc/75/56/08/605755608.db2.gz IRMNASCQOAYOOC-SECBINFHSA-N -1 0 306.278 -0.620 20 0 DBADRM CC(C)c1nnc2n1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])C2 ZINC000833800929 605756353 /nfs/dbraw/zinc/75/63/53/605756353.db2.gz YONKFDMGKOMAIF-QMMMGPOBSA-N -1 0 324.341 -0.745 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CC(Oc2ccccc2)C1 ZINC000833979552 605756419 /nfs/dbraw/zinc/75/64/19/605756419.db2.gz GTZYYPWQPJXLFC-LLVKDONJSA-N -1 0 307.306 -0.212 20 0 DBADRM Cc1oc(C(=O)NCC2CN(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000833936385 605759115 /nfs/dbraw/zinc/75/91/15/605759115.db2.gz XCXCZQGDANROLF-UHFFFAOYSA-N -1 0 317.323 -0.425 20 0 DBADRM Cc1ccc2[nH]c(CNC(=O)[C@H](CC(N)=O)NC(=O)[O-])nc2c1 ZINC000833907929 605759961 /nfs/dbraw/zinc/75/99/61/605759961.db2.gz XMKAEPOYFIAFPY-JTQLQIEISA-N -1 0 319.321 -0.001 20 0 DBADRM Cn1cc(C[C@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])C2)cn1 ZINC000833945879 605761758 /nfs/dbraw/zinc/76/17/58/605761758.db2.gz CEHUVSPZKJUBGH-KOLCDFICSA-N -1 0 323.353 -0.677 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccn2ccnc2c1 ZINC000833983739 605762203 /nfs/dbraw/zinc/76/22/03/605762203.db2.gz XFYCPRNDLWZBAN-VIFPVBQESA-N -1 0 305.294 -0.538 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000833983748 605763151 /nfs/dbraw/zinc/76/31/51/605763151.db2.gz JPKKFRMOULOSCS-RXMQYKEDSA-N -1 0 323.231 -0.105 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)NCCNC(=O)c1ccn[nH]1)C1CC1 ZINC000834148671 605764973 /nfs/dbraw/zinc/76/49/73/605764973.db2.gz WYOZFQKVAJBHPY-SNVBAGLBSA-N -1 0 324.341 -0.515 20 0 DBADRM CCN(CCCNC(=O)N1CC[C@H](NC(N)=O)C1)C(=O)[O-] ZINC000833858588 605766969 /nfs/dbraw/zinc/76/69/69/605766969.db2.gz KCFAHSAFQMTWIK-VIFPVBQESA-N -1 0 301.347 -0.171 20 0 DBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000825815702 605767309 /nfs/dbraw/zinc/76/73/09/605767309.db2.gz DTSFYFXAPKIARL-VHSXEESVSA-N -1 0 324.337 -0.806 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCn1cncn1 ZINC000833705822 605768216 /nfs/dbraw/zinc/76/82/16/605768216.db2.gz KIJFKBKZFOPXMQ-ZJUUUORDSA-N -1 0 310.310 -0.467 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@H](C)N(C(=O)[O-])C[C@@H]1C ZINC000833883657 605785532 /nfs/dbraw/zinc/78/55/32/605785532.db2.gz PBXTYCQSGDQTNH-UWVGGRQHSA-N -1 0 309.388 -0.118 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H](C)N(C(=O)[O-])C[C@H]1C ZINC000833883656 605785629 /nfs/dbraw/zinc/78/56/29/605785629.db2.gz PBXTYCQSGDQTNH-NXEZZACHSA-N -1 0 309.388 -0.118 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000833810042 605789079 /nfs/dbraw/zinc/78/90/79/605789079.db2.gz WWBIUKMCVMDIPU-QWRGUYRKSA-N -1 0 302.375 -0.090 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000833807175 605792060 /nfs/dbraw/zinc/79/20/60/605792060.db2.gz HXXXFYWVGLKYSE-MRVPVSSYSA-N -1 0 324.403 -0.483 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NC[C@@H]1CCCS1(=O)=O ZINC000833809778 605797012 /nfs/dbraw/zinc/79/70/12/605797012.db2.gz VZSADNZTKCWLRP-BDAKNGLRSA-N -1 0 307.372 -0.234 20 0 DBADRM Cn1nnnc1CCNC(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000833960005 605797194 /nfs/dbraw/zinc/79/71/94/605797194.db2.gz CYUUZWOGKIVWPK-UHFFFAOYSA-N -1 0 311.346 -0.558 20 0 DBADRM Cn1nnnc1CCNC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000833960075 605797333 /nfs/dbraw/zinc/79/73/33/605797333.db2.gz GSZNZPAHXXCXPT-SECBINFHSA-N -1 0 311.346 -0.416 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CC(=O)N2CCN(C)CC2)CCO1 ZINC000833820716 605804751 /nfs/dbraw/zinc/80/47/51/605804751.db2.gz SJSAGJVMWNYNKH-NEPJUHHUSA-N -1 0 314.386 -0.883 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)CCC(=O)N1CCOCC1 ZINC000833810922 605806603 /nfs/dbraw/zinc/80/66/03/605806603.db2.gz VFKPSZJZJDEMHK-SNVBAGLBSA-N -1 0 301.343 -0.355 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)NC[C@@H](C)CNC(=O)[O-] ZINC000833934293 605807240 /nfs/dbraw/zinc/80/72/40/605807240.db2.gz FJWAWODGVAKHNB-ZCFIWIBFSA-N -1 0 319.339 -0.131 20 0 DBADRM C[C@H](CC(=O)N1CCC(C(=O)NCCCO)CC1)NC(=O)[O-] ZINC000824565322 605807371 /nfs/dbraw/zinc/80/73/71/605807371.db2.gz MUAFIBNYQNSDNV-SNVBAGLBSA-N -1 0 315.370 -0.230 20 0 DBADRM CS[C@@H](CO)[C@@H](C)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000829710177 605812018 /nfs/dbraw/zinc/81/20/18/605812018.db2.gz KPIHTAHAZOTJOZ-BDAKNGLRSA-N -1 0 319.383 -0.963 20 0 DBADRM O=C(C[C@H]1CSCCN1C(=O)[O-])NCCCOCCO ZINC000833989694 605813479 /nfs/dbraw/zinc/81/34/79/605813479.db2.gz ZNMLEYMLAUTYRC-JTQLQIEISA-N -1 0 306.384 -0.013 20 0 DBADRM COC(=O)CCNC(=O)CN1C[C@@H](C)N(C(=O)[O-])C[C@H]1C ZINC000833879274 605814818 /nfs/dbraw/zinc/81/48/18/605814818.db2.gz NWFGEKVLATXFAW-NXEZZACHSA-N -1 0 301.343 -0.262 20 0 DBADRM CNC(=O)NC(=O)COC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000828552170 605817941 /nfs/dbraw/zinc/81/79/41/605817941.db2.gz NBVSRUONVFJODJ-SSDOTTSWSA-N -1 0 319.339 -0.529 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)CCN1CCCS1(=O)=O ZINC000833809282 605818291 /nfs/dbraw/zinc/81/82/91/605818291.db2.gz JGOYNHIEPONMSN-VIFPVBQESA-N -1 0 307.372 -0.568 20 0 DBADRM O=C([O-])NCCCNC(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000834237557 605818446 /nfs/dbraw/zinc/81/84/46/605818446.db2.gz HRHPZDAPPISCGV-SECBINFHSA-N -1 0 300.315 -0.120 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000834023039 605818938 /nfs/dbraw/zinc/81/89/38/605818938.db2.gz UGSACBKAGOQNLN-KOLCDFICSA-N -1 0 311.338 -0.508 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NCCCN1CCOCC1 ZINC000833808441 605819757 /nfs/dbraw/zinc/81/97/57/605819757.db2.gz OORADKFAFBSMSA-NSHDSACASA-N -1 0 302.375 -0.088 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NCCCN1CCOCC1 ZINC000833808437 605819927 /nfs/dbraw/zinc/81/99/27/605819927.db2.gz OORADKFAFBSMSA-LLVKDONJSA-N -1 0 302.375 -0.088 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)NCCN1C(=O)CCC1=O)C1CC1 ZINC000834149045 605820048 /nfs/dbraw/zinc/82/00/48/605820048.db2.gz ZRUDQDNYCAIKFZ-VIFPVBQESA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)NCc1nnnn1C1CC1)C1CC1 ZINC000834144793 605821581 /nfs/dbraw/zinc/82/15/81/605821581.db2.gz RTMPJLKUVXPKDL-SECBINFHSA-N -1 0 309.330 -0.147 20 0 DBADRM Cn1nnnc1CCNC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000833960040 605823073 /nfs/dbraw/zinc/82/30/73/605823073.db2.gz FJWCCMNRGJMHCD-JTQLQIEISA-N -1 0 323.357 -0.321 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NC[C@@]1(CCO)CCOC1 ZINC000833807124 605823510 /nfs/dbraw/zinc/82/35/10/605823510.db2.gz HSGQENWETMSRJS-ZWNOBZJWSA-N -1 0 303.359 -0.022 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000834034256 605824412 /nfs/dbraw/zinc/82/44/12/605824412.db2.gz RJXGVNWIVOUNGG-VIFPVBQESA-N -1 0 310.354 -0.094 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834227053 605828910 /nfs/dbraw/zinc/82/89/10/605828910.db2.gz YJCRKYOPAJEAJU-VIFPVBQESA-N -1 0 324.341 -0.561 20 0 DBADRM COCCN(CC(=O)N1CCc2nc[nH]c(=O)c2C1)C(=O)[O-] ZINC000833884756 605834862 /nfs/dbraw/zinc/83/48/62/605834862.db2.gz UBDBLDIBAQGKMQ-UHFFFAOYSA-N -1 0 310.310 -0.307 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000825840060 605836975 /nfs/dbraw/zinc/83/69/75/605836975.db2.gz XJBRWAFBQRTRAO-SFYZADRCSA-N -1 0 310.310 -0.253 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)NC[C@@H](NC(=O)[O-])C1CC1 ZINC000833838108 605845550 /nfs/dbraw/zinc/84/55/50/605845550.db2.gz MLKBLWMWFFJUDX-WCBMZHEXSA-N -1 0 319.383 -0.139 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NCCN1CCNC(=O)C1 ZINC000833480818 605864541 /nfs/dbraw/zinc/86/45/41/605864541.db2.gz SSZKIWFHNSFEBU-SNVBAGLBSA-N -1 0 300.359 -0.783 20 0 DBADRM Cn1cnc(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c1 ZINC000831041677 605875644 /nfs/dbraw/zinc/87/56/44/605875644.db2.gz XNFQZULOQSFYMF-JTQLQIEISA-N -1 0 323.353 -0.344 20 0 DBADRM COC1(C(=O)N2CCO[C@H](CO)C2)CCN(C(=O)[O-])CC1 ZINC000828849804 605876097 /nfs/dbraw/zinc/87/60/97/605876097.db2.gz WOONOPKBCIDETD-JTQLQIEISA-N -1 0 302.327 -0.635 20 0 DBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC000832647723 605876554 /nfs/dbraw/zinc/87/65/54/605876554.db2.gz MDKCSZDNVJSIKJ-NSHDSACASA-N -1 0 321.337 -0.287 20 0 DBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2CCO[C@H](CO)C2)C1 ZINC000831997728 605877424 /nfs/dbraw/zinc/87/74/24/605877424.db2.gz PJTVGVNSQMKONS-QWRGUYRKSA-N -1 0 302.327 -0.635 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H](CNC(=O)[O-])C[C@@H]1C ZINC000833882749 605877467 /nfs/dbraw/zinc/87/74/67/605877467.db2.gz ADYVNNZTKRJSBK-VHSXEESVSA-N -1 0 309.388 -0.213 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@H](CNC(=O)[O-])C[C@@H]1C ZINC000833882748 605877498 /nfs/dbraw/zinc/87/74/98/605877498.db2.gz ADYVNNZTKRJSBK-UWVGGRQHSA-N -1 0 309.388 -0.213 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000824832945 605879789 /nfs/dbraw/zinc/87/97/89/605879789.db2.gz KSPNGDSJSRDURF-NXEZZACHSA-N -1 0 321.399 -0.098 20 0 DBADRM O=C([O-])Nc1ccc(C(=O)NCCN2CCNC(=O)C2)c(O)c1 ZINC000834254667 605879934 /nfs/dbraw/zinc/87/99/34/605879934.db2.gz BKPOYUPUXVIHAS-UHFFFAOYSA-N -1 0 322.321 -0.356 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])no2)CCN1S(C)(=O)=O ZINC000833740634 605881638 /nfs/dbraw/zinc/88/16/38/605881638.db2.gz IUBACRSQPZQACW-ZETCQYMHSA-N -1 0 317.323 -0.521 20 0 DBADRM O=C([O-])N1CCc2ncc(NC(=O)Cn3cnnn3)cc2C1 ZINC000834012095 605882011 /nfs/dbraw/zinc/88/20/11/605882011.db2.gz HNXPFDHPNAKKBY-UHFFFAOYSA-N -1 0 303.282 -0.257 20 0 DBADRM NS(=O)(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000740336637 605883638 /nfs/dbraw/zinc/88/36/38/605883638.db2.gz ALHLREJDHDHCAN-SNVBAGLBSA-N -1 0 315.351 -0.730 20 0 DBADRM O=C([O-])NCC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000834194786 605885483 /nfs/dbraw/zinc/88/54/83/605885483.db2.gz SZZUJJJHSXHUQT-UHFFFAOYSA-N -1 0 305.356 -0.673 20 0 DBADRM O=C([O-])NCCCCC(=O)NCCN1CCCS1(=O)=O ZINC000834235876 605894054 /nfs/dbraw/zinc/89/40/54/605894054.db2.gz MFIFOQDSZJIJJS-UHFFFAOYSA-N -1 0 307.372 -0.424 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=S)NCCCN2CCOCC2)C1 ZINC000740592845 605898030 /nfs/dbraw/zinc/89/80/30/605898030.db2.gz IQPUHSXLDRYVJO-NSHDSACASA-N -1 0 316.427 -0.075 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000834037140 605902601 /nfs/dbraw/zinc/90/26/01/605902601.db2.gz LSLKZAMMEGAVIS-AXFHLTTASA-N -1 0 314.338 -0.099 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)[C@@H]2CC23CCN(C(=O)[O-])CC3)CCO1 ZINC000833980481 605904059 /nfs/dbraw/zinc/90/40/59/605904059.db2.gz MUFKIMVPUCVHAC-UWVGGRQHSA-N -1 0 311.338 -0.521 20 0 DBADRM Cn1c(N2CC[C@H](NC(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000740281902 605906975 /nfs/dbraw/zinc/90/69/75/605906975.db2.gz KWOGDMJMSPWTOT-LURJTMIESA-N -1 0 308.298 -0.781 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NCCN(C(=O)[O-])C2CC2)CCO1 ZINC000833875519 605908663 /nfs/dbraw/zinc/90/86/63/605908663.db2.gz UQLAMSFDLHRERM-JTQLQIEISA-N -1 0 314.342 -0.715 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NCC(C)(C)NC(=O)[O-])CCO1 ZINC000833876493 605910659 /nfs/dbraw/zinc/91/06/59/605910659.db2.gz HEVIBGKLKBDAQH-QMMMGPOBSA-N -1 0 302.331 -0.811 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NC[C@H](C)CNC(=O)[O-])CCO1 ZINC000833878432 605910852 /nfs/dbraw/zinc/91/08/52/605910852.db2.gz RZHGKFMPAZQQOA-DTWKUNHWSA-N -1 0 302.331 -0.954 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)C[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834141229 605911351 /nfs/dbraw/zinc/91/13/51/605911351.db2.gz VDKJTFONGLQKKH-WPRPVWTQSA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])N1CCN(CC(=O)OCc2nncn2C2CC2)C(=O)C1 ZINC000834006091 605911993 /nfs/dbraw/zinc/91/19/93/605911993.db2.gz SNNPBKWVOVGWLL-UHFFFAOYSA-N -1 0 323.309 -0.522 20 0 DBADRM O=C([O-])N[C@H]1CCN(CC(=O)NC(=O)NCc2ccco2)C1 ZINC000740593402 605917960 /nfs/dbraw/zinc/91/79/60/605917960.db2.gz HAGUMZYEZVFYCI-VIFPVBQESA-N -1 0 310.310 -0.053 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)NC1CN(C(=O)[O-])C1 ZINC000833897323 605923070 /nfs/dbraw/zinc/92/30/70/605923070.db2.gz IGGFUMCLUDLKRO-UHFFFAOYSA-N -1 0 308.294 -0.889 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)N[C@@H]2CCOC2)CC1 ZINC000834039852 605924038 /nfs/dbraw/zinc/92/40/38/605924038.db2.gz YARRINPHUQIGDY-LLVKDONJSA-N -1 0 300.359 -0.240 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)N[C@H]2CCOC2)CC1 ZINC000834039853 605924282 /nfs/dbraw/zinc/92/42/82/605924282.db2.gz YARRINPHUQIGDY-NSHDSACASA-N -1 0 300.359 -0.240 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC[C@H](Cn3ccnn3)C2)C1 ZINC000834070387 605928511 /nfs/dbraw/zinc/92/85/11/605928511.db2.gz XKYILTDZQMMYEO-NSHDSACASA-N -1 0 323.353 -0.105 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000833772181 605928619 /nfs/dbraw/zinc/92/86/19/605928619.db2.gz ZNUBCFKHIGQVCW-MNOVXSKESA-N -1 0 316.379 -0.220 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000834117410 605928948 /nfs/dbraw/zinc/92/89/48/605928948.db2.gz QZINLGTYZSCFGV-VXGBXAGGSA-N -1 0 323.353 -0.105 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCN3C(=O)OCC[C@H]3C2)C1 ZINC000834117196 605929452 /nfs/dbraw/zinc/92/94/52/605929452.db2.gz QERBLEJVVORCEN-VHSXEESVSA-N -1 0 313.310 -0.582 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)CCO1 ZINC000833879384 605929700 /nfs/dbraw/zinc/92/97/00/605929700.db2.gz YBVODODQGCFAFX-DCAQKATOSA-N -1 0 313.354 -0.214 20 0 DBADRM COCCN(C(=O)NCCNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000833882798 605930141 /nfs/dbraw/zinc/93/01/41/605930141.db2.gz BFLFTQWKQBQGQI-VIFPVBQESA-N -1 0 323.371 -0.901 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000833879118 605931155 /nfs/dbraw/zinc/93/11/55/605931155.db2.gz WYOOADYXWOCCTC-UFBFGSQYSA-N -1 0 303.290 -0.948 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)CC[C@@H]2CCCN2C(=O)[O-])CCO1 ZINC000833879772 605931288 /nfs/dbraw/zinc/93/12/88/605931288.db2.gz ZTRDIPUGVJNHPD-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[C@H](NC(=O)[O-])C1 ZINC000738612450 605933060 /nfs/dbraw/zinc/93/30/60/605933060.db2.gz HAAZNZQKNANQHE-VWYCJHECSA-N -1 0 312.370 -0.559 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NN1Cc2ccccc2C1=O ZINC000833982887 605935165 /nfs/dbraw/zinc/93/51/65/605935165.db2.gz PFBCWJQWIWRGQF-SECBINFHSA-N -1 0 306.278 -0.815 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@@]2(C)CCCN(C(=O)[O-])C2)CCO1 ZINC000833878858 605935279 /nfs/dbraw/zinc/93/52/79/605935279.db2.gz VEQOJPJXORIODF-YGRLFVJLSA-N -1 0 313.354 -0.260 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@H](NC(=O)[O-])c2ccccc2)CCO1 ZINC000833875253 605935978 /nfs/dbraw/zinc/93/59/78/605935978.db2.gz MGMPJSTYLJDEPV-NWDGAFQWSA-N -1 0 321.333 -0.031 20 0 DBADRM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000834217437 605937263 /nfs/dbraw/zinc/93/72/63/605937263.db2.gz UZUPZJZQJJZATK-VGMNWLOBSA-N -1 0 312.326 -0.473 20 0 DBADRM CC(C)[C@@H](NC(=O)CNC(=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000833794435 605939158 /nfs/dbraw/zinc/93/91/58/605939158.db2.gz ZZUWBMCDQNYZDL-SSDOTTSWSA-N -1 0 309.286 -0.064 20 0 DBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000833769759 605940722 /nfs/dbraw/zinc/94/07/22/605940722.db2.gz JQAWKQGYGLQVCP-UHFFFAOYSA-N -1 0 321.289 -0.125 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)o1 ZINC000834246840 605941705 /nfs/dbraw/zinc/94/17/05/605941705.db2.gz QZRPTRUHBNYXOU-MRVPVSSYSA-N -1 0 322.277 -0.577 20 0 DBADRM CC1(CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)OCCO1 ZINC000833823584 605942180 /nfs/dbraw/zinc/94/21/80/605942180.db2.gz HMIDLMHIJJAPPM-UHFFFAOYSA-N -1 0 324.293 -0.011 20 0 DBADRM O=C([O-])N(CC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)CC1CC1 ZINC000834291459 605942382 /nfs/dbraw/zinc/94/23/82/605942382.db2.gz ZBEAPLUDQWPASH-SECBINFHSA-N -1 0 310.310 -0.861 20 0 DBADRM O=C([O-])NCC1(C(=O)OCCN2CCOCC2)CCOCC1 ZINC000834206938 605949009 /nfs/dbraw/zinc/94/90/09/605949009.db2.gz INLWEUWIIWRXBP-UHFFFAOYSA-N -1 0 316.354 -0.074 20 0 DBADRM O=C([O-])N1CCC[C@H]1C(=O)Nc1n[nH]c(SCCO)n1 ZINC000834057733 605952307 /nfs/dbraw/zinc/95/23/07/605952307.db2.gz ICGJHZCHNPDJTN-LURJTMIESA-N -1 0 301.328 -0.030 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)NCCc2cnccn2)CC1 ZINC000834045453 605952374 /nfs/dbraw/zinc/95/23/74/605952374.db2.gz QAMUEAPXXHCNQK-UHFFFAOYSA-N -1 0 322.369 -0.386 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000738854710 605954491 /nfs/dbraw/zinc/95/44/91/605954491.db2.gz GHOJCKBLLYOOFR-JTQLQIEISA-N -1 0 300.359 -0.689 20 0 DBADRM Cc1nnc(COC(=O)[C@H](CC(N)=O)NC(=O)[O-])n1C1CC1 ZINC000833927382 605956011 /nfs/dbraw/zinc/95/60/11/605956011.db2.gz SQBLFJKXJDAKGW-QMMMGPOBSA-N -1 0 311.298 -0.524 20 0 DBADRM COC(=O)CCN1CCN(C(=O)CCNC(=O)[O-])[C@@H](C)C1 ZINC000833878556 605956797 /nfs/dbraw/zinc/95/67/97/605956797.db2.gz HHRIUACLTSXMAR-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM O=C(CN1CCN(C(=O)CN(C(=O)[O-])C2CC2)CC1)NC1CC1 ZINC000834004540 605959486 /nfs/dbraw/zinc/95/94/86/605959486.db2.gz CNVLBYLYISWFCO-UHFFFAOYSA-N -1 0 324.381 -0.448 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NCCCN2CCNC(=O)C2)C1 ZINC000834171939 605967373 /nfs/dbraw/zinc/96/73/73/605967373.db2.gz YLJUOZWTIATFRK-GHMZBOCLSA-N -1 0 312.370 -0.639 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)N[C@@H](CO)C2CCOCC2)C1 ZINC000834018011 605967703 /nfs/dbraw/zinc/96/77/03/605967703.db2.gz XJDOZINOTCGIGQ-QWRGUYRKSA-N -1 0 301.343 -0.175 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)N2CCN(C(=O)CO)CC2)C1 ZINC000834170260 605971878 /nfs/dbraw/zinc/97/18/78/605971878.db2.gz YGBRGGAEVDLYPZ-QWRGUYRKSA-N -1 0 313.354 -0.524 20 0 DBADRM O=C([O-])N(CC(=O)N1CCN(C(=O)CO)CC1)c1ccccc1 ZINC000834005516 605972281 /nfs/dbraw/zinc/97/22/81/605972281.db2.gz GNFKDCBIBXYYNH-UHFFFAOYSA-N -1 0 321.333 -0.166 20 0 DBADRM O=C([O-])NCCCCCCC(=O)N1CCN(C(=O)CO)CC1 ZINC000834241093 605972562 /nfs/dbraw/zinc/97/25/62/605972562.db2.gz QQYIEIAKQHYCSO-UHFFFAOYSA-N -1 0 315.370 -0.132 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000834243617 605972579 /nfs/dbraw/zinc/97/25/79/605972579.db2.gz YRQGDPUWTYIDIW-QWRGUYRKSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])N1CCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000834112913 605973797 /nfs/dbraw/zinc/97/37/97/605973797.db2.gz IOWCFURHAUBKPN-VIFPVBQESA-N -1 0 305.356 -0.431 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC(Cn3ccnn3)CC2)C1 ZINC000834118713 605976786 /nfs/dbraw/zinc/97/67/86/605976786.db2.gz ZJQCHHMFZBVQKT-LBPRGKRZSA-N -1 0 323.353 -0.105 20 0 DBADRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cccnc1=O ZINC000834095113 605978689 /nfs/dbraw/zinc/97/86/89/605978689.db2.gz QRVYYSQPURWEJQ-MNOVXSKESA-N -1 0 306.322 -0.013 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)OCC2CCS(=O)(=O)CC2)C1 ZINC000834284521 605984642 /nfs/dbraw/zinc/98/46/42/605984642.db2.gz DIZPUBNISOEIMG-SNVBAGLBSA-N -1 0 321.351 -0.267 20 0 DBADRM O=C([O-])N(CC(=O)NCC1(O)CCS(=O)(=O)CC1)C1CC1 ZINC000833999437 605985220 /nfs/dbraw/zinc/98/52/20/605985220.db2.gz NZXBUEUDKLLZRI-UHFFFAOYSA-N -1 0 320.367 -0.815 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCCN1C(=O)CN(C(=O)[O-])C1CC1 ZINC000833987298 605986073 /nfs/dbraw/zinc/98/60/73/605986073.db2.gz YRWHANLNDSORLR-SNVBAGLBSA-N -1 0 319.383 -0.202 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000834019014 605988264 /nfs/dbraw/zinc/98/82/64/605988264.db2.gz OGDOZSSEICIHJN-UTUOFQBUSA-N -1 0 320.349 -0.110 20 0 DBADRM Cc1nnc(CN(C)CC(=O)NC[C@@H](NC(=O)[O-])C2CC2)n1C ZINC000833924515 605994395 /nfs/dbraw/zinc/99/43/95/605994395.db2.gz UGJJZYDRRVJSJF-LLVKDONJSA-N -1 0 324.385 -0.282 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CC[C@H](N3CCOCC3)C2)C1 ZINC000834157210 605995663 /nfs/dbraw/zinc/99/56/63/605995663.db2.gz HXQVLQAJYPKGLY-NEPJUHHUSA-N -1 0 312.370 -0.781 20 0 DBADRM O=C([O-])N1CCC(NC(=O)C2=NN(CCO)C(=O)CC2)CC1 ZINC000834015140 605996715 /nfs/dbraw/zinc/99/67/15/605996715.db2.gz HWCCNMDBERKPLU-UHFFFAOYSA-N -1 0 312.326 -0.784 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)C1=NN(CCO)C(=O)CC1)C1CC1 ZINC000834211018 605998592 /nfs/dbraw/zinc/99/85/92/605998592.db2.gz UZQSVOVRRNIKFH-SNVBAGLBSA-N -1 0 312.326 -0.881 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc(Cl)cn1 ZINC000833981848 605999269 /nfs/dbraw/zinc/99/92/69/605999269.db2.gz HUCWJCVBCCUYHQ-MRVPVSSYSA-N -1 0 300.702 -0.137 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)c2cnc(NC(=O)[O-])cn2)O1 ZINC000833982937 606005612 /nfs/dbraw/zinc/00/56/12/606005612.db2.gz ZVNBLPULXSZRNA-POYBYMJQSA-N -1 0 309.282 -0.671 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)c2cnc(NC(=O)[O-])cn2)O1 ZINC000833982938 606005704 /nfs/dbraw/zinc/00/57/04/606005704.db2.gz ZVNBLPULXSZRNA-SVRRBLITSA-N -1 0 309.282 -0.671 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)OCCN2C(=O)CCC2=O)cn1 ZINC000834279134 606012224 /nfs/dbraw/zinc/01/22/24/606012224.db2.gz QTOJXESFDYOHRO-UHFFFAOYSA-N -1 0 308.250 -0.128 20 0 DBADRM O=C([O-])NCc1nnnn1CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000834249169 606012469 /nfs/dbraw/zinc/01/24/69/606012469.db2.gz OMPGISKCFBHXJR-SECBINFHSA-N -1 0 310.314 -0.922 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)OCC(=O)NC(=O)NC2CC2)cn1 ZINC000834277509 606012534 /nfs/dbraw/zinc/01/25/34/606012534.db2.gz DEIFYHVDUFFVTH-UHFFFAOYSA-N -1 0 323.265 -0.289 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)[C@@]2(O)CCSC2)CC1 ZINC000834113678 606013757 /nfs/dbraw/zinc/01/37/57/606013757.db2.gz ZLJSFWBMAGWVPP-CYBMUJFWSA-N -1 0 317.411 -0.344 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)[C@@]2(O)CCSC2)CC1 ZINC000834113508 606016011 /nfs/dbraw/zinc/01/60/11/606016011.db2.gz YBOJJUDEQQHLCK-GFCCVEGCSA-N -1 0 303.384 -0.734 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NCC(=O)N1CCOCC1 ZINC000833807398 606016083 /nfs/dbraw/zinc/01/60/83/606016083.db2.gz JUKZPTAOMUTEIZ-SECBINFHSA-N -1 0 302.331 -0.952 20 0 DBADRM O=C([O-])N[C@H]1CCCN(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000834179913 606017063 /nfs/dbraw/zinc/01/70/63/606017063.db2.gz BZECZTATYJHMSG-JTQLQIEISA-N -1 0 314.342 -0.713 20 0 DBADRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCCCS(N)(=O)=O ZINC000833827153 606018226 /nfs/dbraw/zinc/01/82/26/606018226.db2.gz VWRBQLFJSABLJV-CABZTGNLSA-N -1 0 321.399 -0.002 20 0 DBADRM O=C([O-])N1CCC(CNC(=O)NC[C@]2(O)CCOC2)CC1 ZINC000834030060 606025136 /nfs/dbraw/zinc/02/51/36/606025136.db2.gz GIWLCXFRSOIVSI-CYBMUJFWSA-N -1 0 301.343 -0.173 20 0 DBADRM O=C([O-])N1CCSC[C@@H]1CC(=O)NC[C@]1(O)CCOC1 ZINC000833989619 606035219 /nfs/dbraw/zinc/03/52/19/606035219.db2.gz YMOAJTHJYIJIBD-JOYOIKCWSA-N -1 0 304.368 -0.261 20 0 DBADRM O=C([O-])NCc1nc(C(=O)NC[C@@]2(O)CCOC2)cs1 ZINC000834248282 606035330 /nfs/dbraw/zinc/03/53/30/606035330.db2.gz BUCDPUAIOFGGNA-NSHDSACASA-N -1 0 301.324 -0.208 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000834129646 606046064 /nfs/dbraw/zinc/04/60/64/606046064.db2.gz BPLJVCVSEFHEKB-RNFRBKRXSA-N -1 0 314.310 -0.029 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCC(F)(F)C2)CC1 ZINC000834114807 606048362 /nfs/dbraw/zinc/04/83/62/606048362.db2.gz GKDSJNURRFUHQR-UHFFFAOYSA-N -1 0 320.296 -0.141 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)NCCN1C(=O)CCC1=O ZINC000834127873 606051185 /nfs/dbraw/zinc/05/11/85/606051185.db2.gz DVRUAEZVKRVWBI-ZCFIWIBFSA-N -1 0 307.253 -0.457 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)N2CCN3C(=O)NC[C@H]3C2)cn1 ZINC000834277336 606059694 /nfs/dbraw/zinc/05/96/94/606059694.db2.gz AJLAHKQGZFFVBG-ZETCQYMHSA-N -1 0 306.282 -0.584 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)c2cnc(NC(=O)[O-])cn2)cn1 ZINC000833946314 606060014 /nfs/dbraw/zinc/06/00/14/606060014.db2.gz LRLOIUKMMNENFS-VIFPVBQESA-N -1 0 306.282 -0.237 20 0 DBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)NN1CCCNC1=O ZINC000834011221 606064691 /nfs/dbraw/zinc/06/46/91/606064691.db2.gz SVUPTQSVTBGCCD-VIFPVBQESA-N -1 0 300.315 -0.408 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000834134502 606073539 /nfs/dbraw/zinc/07/35/39/606073539.db2.gz TVSNFSANMHORGN-RNFRBKRXSA-N -1 0 307.253 -0.059 20 0 DBADRM O=C([O-])N1CCC[C@H](C(=O)OCC(=O)N2CCOCC2)C1 ZINC000834284099 606077231 /nfs/dbraw/zinc/07/72/31/606077231.db2.gz FMGRBRCPLCODOP-JTQLQIEISA-N -1 0 300.311 -0.222 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000834030124 606077266 /nfs/dbraw/zinc/07/72/66/606077266.db2.gz HRZISUOTMAGGAA-JTQLQIEISA-N -1 0 319.383 -0.137 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000833877762 606079214 /nfs/dbraw/zinc/07/92/14/606079214.db2.gz CGJPPWWUMDANDY-VIFPVBQESA-N -1 0 316.310 -0.401 20 0 DBADRM CN(CCN(C)S(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC000833873795 606081891 /nfs/dbraw/zinc/08/18/91/606081891.db2.gz KWAUKWDADAYOGO-UHFFFAOYSA-N -1 0 309.388 -0.116 20 0 DBADRM Cn1ccnc1[C@@H]1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000833954353 606083213 /nfs/dbraw/zinc/08/32/13/606083213.db2.gz HSLQVWWUDQAUTJ-OUAUKWLOSA-N -1 0 308.338 -0.151 20 0 DBADRM NC(=O)C1CCC(NC(=O)CCOC2CN(C(=O)[O-])C2)CC1 ZINC000833979946 606089313 /nfs/dbraw/zinc/08/93/13/606089313.db2.gz GAZATGDJVJTKDJ-UHFFFAOYSA-N -1 0 313.354 -0.084 20 0 DBADRM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)Cn3cnnn3)cc2C1 ZINC000834191868 606095013 /nfs/dbraw/zinc/09/50/13/606095013.db2.gz LADZNHPEHLDAEM-SECBINFHSA-N -1 0 317.309 -0.168 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCCc1cnc(C2CC2)nc1 ZINC000833983850 606098956 /nfs/dbraw/zinc/09/89/56/606098956.db2.gz XTILFDYJWGSIQZ-JTQLQIEISA-N -1 0 321.337 -0.476 20 0 DBADRM Cn1ccnc1[C@@H]1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])C1 ZINC000833955618 606099070 /nfs/dbraw/zinc/09/90/70/606099070.db2.gz SPUTXSVKXVSNBG-RKDXNWHRSA-N -1 0 309.326 -0.752 20 0 DBADRM O=C(CCOC1CN(C(=O)[O-])C1)OCCN1C(=O)CCC1=O ZINC000833993490 606102822 /nfs/dbraw/zinc/10/28/22/606102822.db2.gz FGJTWUQWPDMWTM-UHFFFAOYSA-N -1 0 314.294 -0.553 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C ZINC000820479782 606285330 /nfs/dbraw/zinc/28/53/30/606285330.db2.gz CBKQMQQEFKPLBM-NXEZZACHSA-N -1 0 319.369 -0.278 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821933218 606333403 /nfs/dbraw/zinc/33/34/03/606333403.db2.gz XTHQMAMJJPDLBF-QMMMGPOBSA-N -1 0 312.359 -0.870 20 0 DBADRM O=C(NCc1nnn[n-]1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823269380 606683766 /nfs/dbraw/zinc/68/37/66/606683766.db2.gz FBCBIQNPUCFOBM-UHFFFAOYSA-N -1 0 307.224 -0.412 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823266363 606689294 /nfs/dbraw/zinc/68/92/94/606689294.db2.gz UWAQLKIRZRBVHB-UHFFFAOYSA-N -1 0 322.235 -0.101 20 0 DBADRM CCOC(=O)/C=C\Cn1c(=O)c(-c2nnn[n-]2)cn(CC)c1=O ZINC000821325391 606693318 /nfs/dbraw/zinc/69/33/18/606693318.db2.gz DZZCVMDZOSEJIW-WAYWQWQTSA-N -1 0 320.309 -0.671 20 0 DBADRM Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)C[C@@H]2CCCO2)n1 ZINC000822620267 606709640 /nfs/dbraw/zinc/70/96/40/606709640.db2.gz PAYOBQBZSJFPEE-ZETCQYMHSA-N -1 0 313.343 -0.479 20 0 DBADRM CC(C)OCCS(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1 ZINC000820146051 606709882 /nfs/dbraw/zinc/70/98/82/606709882.db2.gz JJKYYSWWEVYICY-UHFFFAOYSA-N -1 0 315.359 -0.233 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000314918109 607109957 /nfs/dbraw/zinc/10/99/57/607109957.db2.gz IVSLBJHIGVQPPK-JTQLQIEISA-N -1 0 303.278 -0.208 20 0 DBADRM Cc1csc(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC000822408609 607206764 /nfs/dbraw/zinc/20/67/64/607206764.db2.gz FHZNWKIUZUVPPL-UHFFFAOYSA-N -1 0 319.354 -0.418 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCOC1CCCCC1 ZINC000823132009 607209787 /nfs/dbraw/zinc/20/97/87/607209787.db2.gz VEKOTGMXCGFYLE-UHFFFAOYSA-N -1 0 320.357 -0.076 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC(C)(C)O1 ZINC000820733497 607211029 /nfs/dbraw/zinc/21/10/29/607211029.db2.gz GOWCGQZNIMSJOG-QMMMGPOBSA-N -1 0 306.330 -0.516 20 0 DBADRM COCCN(CC(F)F)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821689259 607212616 /nfs/dbraw/zinc/21/26/16/607212616.db2.gz SJQPOQFBTAZYKI-UHFFFAOYSA-N -1 0 316.272 -0.802 20 0 DBADRM CCOC[C@@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821368324 607216706 /nfs/dbraw/zinc/21/67/06/607216706.db2.gz TUAXLKURJSRQIH-SNVBAGLBSA-N -1 0 320.357 -0.267 20 0 DBADRM CC1(C)CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C(C)(C)CO1 ZINC000820602043 607217260 /nfs/dbraw/zinc/21/72/60/607217260.db2.gz ZYBJOMYQEKLDQH-UHFFFAOYSA-N -1 0 320.357 -0.126 20 0 DBADRM CCCC[C@H](COC)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821043694 607218232 /nfs/dbraw/zinc/21/82/32/607218232.db2.gz SUAFPLXFFQKBAI-SECBINFHSA-N -1 0 308.346 -0.220 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(C)(C)C ZINC000821640486 607218827 /nfs/dbraw/zinc/21/88/27/607218827.db2.gz JLGCXJJEAZHNSZ-MRVPVSSYSA-N -1 0 322.329 -0.838 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@H]1CCCC[C@H]1O ZINC000823127050 607219202 /nfs/dbraw/zinc/21/92/02/607219202.db2.gz RIPBQGKBQGNOKQ-RKDXNWHRSA-N -1 0 306.330 -0.875 20 0 DBADRM CS[C@@H]1CC[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821950584 607220264 /nfs/dbraw/zinc/22/02/64/607220264.db2.gz PCWULIODPKOYHY-JGVFFNPUSA-N -1 0 308.371 -0.142 20 0 DBADRM CC[C@H]1CO[C@@H](C)CN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821000299 607220324 /nfs/dbraw/zinc/22/03/24/607220324.db2.gz CHUBOFZDJLHUKD-IUCAKERBSA-N -1 0 306.330 -0.516 20 0 DBADRM CC[C@@H]1CO[C@H](C)CN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821000300 607220339 /nfs/dbraw/zinc/22/03/39/607220339.db2.gz CHUBOFZDJLHUKD-RKDXNWHRSA-N -1 0 306.330 -0.516 20 0 DBADRM CO[C@@]1(C)C[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1(C)C ZINC000821678351 607220834 /nfs/dbraw/zinc/22/08/34/607220834.db2.gz MRKDVGYYGZCPHI-SDBXPKJASA-N -1 0 320.357 -0.222 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc(CCO)cc1 ZINC000823131990 607222626 /nfs/dbraw/zinc/22/26/26/607222626.db2.gz UOHMYHSGGFEYOH-UHFFFAOYSA-N -1 0 314.309 -0.368 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@@H]2COCC[C@H]21 ZINC000823127234 607223180 /nfs/dbraw/zinc/22/31/80/607223180.db2.gz XLMWVXHCZPRJOA-NXEZZACHSA-N -1 0 318.341 -0.514 20 0 DBADRM CC(C)CO[C@@H]1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000820097328 607223393 /nfs/dbraw/zinc/22/33/93/607223393.db2.gz MOBWKHNIOJNVRV-SNVBAGLBSA-N -1 0 320.357 -0.268 20 0 DBADRM CC(C)N(CC(F)F)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820116037 607224537 /nfs/dbraw/zinc/22/45/37/607224537.db2.gz DWWIIEJJHJNKIA-UHFFFAOYSA-N -1 0 300.273 -0.040 20 0 DBADRM O=C([N-]S(=O)(=O)Cc1ccon1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826449607 607779220 /nfs/dbraw/zinc/77/92/20/607779220.db2.gz AWWIXWHXJXQBKB-UHFFFAOYSA-N -1 0 323.294 -0.557 20 0 DBADRM C[C@@H]1OCC[C@H]1Sc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825022859 607820112 /nfs/dbraw/zinc/82/01/12/607820112.db2.gz ZOYXOZGNCSOJQA-NKWVEPMBSA-N -1 0 324.366 -0.466 20 0 DBADRM Cc1cnccc1CCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000826319577 607861582 /nfs/dbraw/zinc/86/15/82/607861582.db2.gz JDFZRYZZWDVISN-UHFFFAOYSA-N -1 0 313.325 -0.479 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1)C(=O)[O-] ZINC000824640989 608010678 /nfs/dbraw/zinc/01/06/78/608010678.db2.gz QOOWYOIBSVPWNM-YFKPBYRVSA-N -1 0 315.286 -0.243 20 0 DBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826460991 608010689 /nfs/dbraw/zinc/01/06/89/608010689.db2.gz ARBGQSFFNORKNO-SECBINFHSA-N -1 0 323.334 -0.038 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N[C@@H](C)C(=O)[O-] ZINC000826279367 608011727 /nfs/dbraw/zinc/01/17/27/608011727.db2.gz OFPWCHAXTLHAHF-ZETCQYMHSA-N -1 0 311.323 -0.073 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)C2CCCC2)c1=O ZINC000826356284 608095950 /nfs/dbraw/zinc/09/59/50/608095950.db2.gz KBNBESSJDCXREB-UHFFFAOYSA-N -1 0 304.310 -0.514 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2cn3ccccc3n2)c1=O ZINC000826357262 608096306 /nfs/dbraw/zinc/09/63/06/608096306.db2.gz XXNVYZCRCUBUOU-UHFFFAOYSA-N -1 0 324.304 -0.577 20 0 DBADRM CCC1(CO)CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000825170950 608208378 /nfs/dbraw/zinc/20/83/78/608208378.db2.gz KTAJOHMZTMIIBQ-UHFFFAOYSA-N -1 0 320.357 -0.531 20 0 DBADRM Cc1cnc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)s1 ZINC000826318435 608218940 /nfs/dbraw/zinc/21/89/40/608218940.db2.gz JUNNHLIEZZICAQ-UHFFFAOYSA-N -1 0 305.323 -0.460 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCOC2(CCC2)C1 ZINC000826425075 608251934 /nfs/dbraw/zinc/25/19/34/608251934.db2.gz ORZJJXYIVHJESA-UHFFFAOYSA-N -1 0 304.314 -0.760 20 0 DBADRM CN(CC(=O)[O-])C(=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC000825896989 609153413 /nfs/dbraw/zinc/15/34/13/609153413.db2.gz ALOAMEBJYKXEMZ-UHFFFAOYSA-N -1 0 320.313 -0.600 20 0 DBADRM CCc1nn(CC2OCCO2)c(=O)c(-c2nnn[n-]2)c1CC ZINC000825763510 609176018 /nfs/dbraw/zinc/17/60/18/609176018.db2.gz XWXQFHUQFFTGMI-UHFFFAOYSA-N -1 0 306.326 -0.079 20 0 DBADRM CCc1nn(C[C@H](O)COC)c(=O)c(-c2nnn[n-]2)c1CC ZINC000825763531 609186337 /nfs/dbraw/zinc/18/63/37/609186337.db2.gz YWUPTDMORAXBIM-QMMMGPOBSA-N -1 0 308.342 -0.445 20 0 DBADRM C[C@@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@@H]1F ZINC000824961618 609320289 /nfs/dbraw/zinc/32/02/89/609320289.db2.gz DUFNQVDIRMHJRE-SFYZADRCSA-N -1 0 323.332 -0.552 20 0 DBADRM COC1(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCC1 ZINC000826144370 609553793 /nfs/dbraw/zinc/55/37/93/609553793.db2.gz HWSAPQMZHPMXGX-UHFFFAOYSA-N -1 0 321.341 -0.755 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1[C@H]2CN(C(=O)CC3CC3)C[C@H]21 ZINC000976919784 665405919 /nfs/dbraw/zinc/40/59/19/665405919.db2.gz AIHFISQHCBKBNB-GDGBQDQQSA-N -1 0 321.337 -0.938 20 0 DBADRM CN(C[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1CC1 ZINC000977238326 665453752 /nfs/dbraw/zinc/45/37/52/665453752.db2.gz FVYBYVZIEGMJSG-MRVPVSSYSA-N -1 0 307.310 -0.634 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001027517943 665466616 /nfs/dbraw/zinc/46/66/16/665466616.db2.gz LYQWVVYIYSOICC-VIFPVBQESA-N -1 0 320.357 -0.327 20 0 DBADRM O=C(c1cnc[nH]c1=O)N1CCN(C(=O)C2CCOCC2)CC1 ZINC001009752922 665482621 /nfs/dbraw/zinc/48/26/21/665482621.db2.gz UFWFLKXJVAHPQY-UHFFFAOYSA-N -1 0 320.349 -0.107 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2C(=O)c2nc[nH]n2)c1[O-] ZINC000977586659 665484310 /nfs/dbraw/zinc/48/43/10/665484310.db2.gz RCNGSNNPPDYNLM-MRVPVSSYSA-N -1 0 319.325 -0.471 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000663026793 665500621 /nfs/dbraw/zinc/50/06/21/665500621.db2.gz PJOFGRZXHGGOFU-VIFPVBQESA-N -1 0 307.372 -0.775 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CN(C)C(=O)c2cn[nH]n2)c1[O-] ZINC000977970325 665510147 /nfs/dbraw/zinc/51/01/47/665510147.db2.gz LTPMXDVQRCJGDB-QMMMGPOBSA-N -1 0 319.325 -0.471 20 0 DBADRM CN(C[C@H]1CCN1C(=O)C1CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978067700 665515256 /nfs/dbraw/zinc/51/52/56/665515256.db2.gz CPNQMWFGVDJFCF-MRVPVSSYSA-N -1 0 307.310 -0.634 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)C1(C)CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978067927 665515314 /nfs/dbraw/zinc/51/53/14/665515314.db2.gz DACKUYDJKCYWEI-QMMMGPOBSA-N -1 0 321.337 -0.244 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978074225 665517461 /nfs/dbraw/zinc/51/74/61/665517461.db2.gz SARGXJYRWCCWBN-CIUDSAMLSA-N -1 0 321.337 -0.388 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000314014011 665530053 /nfs/dbraw/zinc/53/00/53/665530053.db2.gz VRDZXXOSJODUMZ-ZJUUUORDSA-N -1 0 321.399 -0.322 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC001027625980 665539989 /nfs/dbraw/zinc/53/99/89/665539989.db2.gz YPAINTUNFXWCFS-QMMMGPOBSA-N -1 0 307.314 -0.370 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000978561633 665543856 /nfs/dbraw/zinc/54/38/56/665543856.db2.gz RPGLPACJVPZDNB-QEYWKRMJSA-N -1 0 323.353 -0.644 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1n[nH]cc1F ZINC000978678396 665558730 /nfs/dbraw/zinc/55/87/30/665558730.db2.gz NZHCUGXMQMGXSR-WHUPJOBBSA-N -1 0 321.316 -0.520 20 0 DBADRM CCC(=O)N1C[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC001009892578 665574101 /nfs/dbraw/zinc/57/41/01/665574101.db2.gz QQBACNRFWSTQTI-VHSXEESVSA-N -1 0 322.365 -0.137 20 0 DBADRM Cn1cc(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001027742191 665616332 /nfs/dbraw/zinc/61/63/32/665616332.db2.gz LVCPAFHVIXKHIX-SNVBAGLBSA-N -1 0 305.342 -0.362 20 0 DBADRM C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)C2(C)CC2)CCO1 ZINC000979292635 665627171 /nfs/dbraw/zinc/62/71/71/665627171.db2.gz FXPBVWWVQQBLFV-GHMZBOCLSA-N -1 0 323.397 -0.386 20 0 DBADRM C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CN(C(=O)C2(C)CC2)CCO1 ZINC000979292641 665627532 /nfs/dbraw/zinc/62/75/32/665627532.db2.gz FXPBVWWVQQBLFV-WDEREUQCSA-N -1 0 323.397 -0.386 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CCCN2Cc2nn(C)c(=O)[n-]2)[nH]n1 ZINC001027774084 665632803 /nfs/dbraw/zinc/63/28/03/665632803.db2.gz WWAUOKFXUXCJLV-JTQLQIEISA-N -1 0 319.369 -0.466 20 0 DBADRM Cn1[nH]c(CN2CCC[C@H]2CNC(=O)c2cocn2)nc1=O ZINC001027777576 665636913 /nfs/dbraw/zinc/63/69/13/665636913.db2.gz IOCQBHDLFBNCLM-VIFPVBQESA-N -1 0 306.326 -0.509 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC000979558846 665669109 /nfs/dbraw/zinc/66/91/09/665669109.db2.gz HWJUVNJGRQZCJQ-WCQGTBRESA-N -1 0 320.349 -0.527 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1CCNC(=O)C1 ZINC001027827819 665679614 /nfs/dbraw/zinc/67/96/14/665679614.db2.gz ZTLICOHDBMIBGU-UWVGGRQHSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2[C@H]2CCNC2=O)c1[O-] ZINC001027833033 665684680 /nfs/dbraw/zinc/68/46/80/665684680.db2.gz LSHMZYPIIVTILC-UWVGGRQHSA-N -1 0 307.354 -0.494 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2Cc2nncn2C)c1[O-] ZINC001027834114 665685232 /nfs/dbraw/zinc/68/52/32/665685232.db2.gz YEGYMLJGDOMXOD-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM CNC(=O)[C@@H](C)N1CCC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001027832370 665685866 /nfs/dbraw/zinc/68/58/66/665685866.db2.gz CMAFFYHBZLKJPM-ZJUUUORDSA-N -1 0 309.370 -0.248 20 0 DBADRM CCC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000979870918 665693965 /nfs/dbraw/zinc/69/39/65/665693965.db2.gz VXXJTLYBNSTHFV-XHNCKOQMSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)NC1CCC(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000979962987 665700662 /nfs/dbraw/zinc/70/06/62/665700662.db2.gz NNDDHRJBZHDXFP-UHFFFAOYSA-N -1 0 308.338 -0.337 20 0 DBADRM Cn1cc(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001027862862 665706934 /nfs/dbraw/zinc/70/69/34/665706934.db2.gz YJFGDDJFKRNYTF-MRVPVSSYSA-N -1 0 306.330 -0.967 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000980065739 665713119 /nfs/dbraw/zinc/71/31/19/665713119.db2.gz CPYRZXHUXCXJMU-JBDRJPRFSA-N -1 0 321.337 -0.437 20 0 DBADRM O=C(NC[C@H]1C[C@H](NC(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000980069556 665715876 /nfs/dbraw/zinc/71/58/76/665715876.db2.gz XADMFVMFNULOBT-FKQCQYRASA-N -1 0 307.310 -0.683 20 0 DBADRM O=C(NC1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1)c1cn[nH]n1 ZINC000980256618 665742030 /nfs/dbraw/zinc/74/20/30/665742030.db2.gz KQRJRXHMCDRSGX-UDQFVRRFSA-N -1 0 319.365 -0.002 20 0 DBADRM Cc1nc[nH]c1CC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000980266548 665743033 /nfs/dbraw/zinc/74/30/33/665743033.db2.gz ZJNSBYZVRXAKOS-SNVBAGLBSA-N -1 0 319.369 -0.183 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H]1CCCN1CC(F)F ZINC000931679555 665745750 /nfs/dbraw/zinc/74/57/50/665745750.db2.gz SYUNUIIPJRSHQV-QMMMGPOBSA-N -1 0 303.317 -0.034 20 0 DBADRM NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000314670623 665764808 /nfs/dbraw/zinc/76/48/08/665764808.db2.gz PVGYAMLIILBLMP-NXEZZACHSA-N -1 0 319.383 -0.775 20 0 DBADRM Cc1nc[nH]c1C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000980565671 665776178 /nfs/dbraw/zinc/77/61/78/665776178.db2.gz FGSGCSGMTQSASP-SECBINFHSA-N -1 0 305.342 -0.112 20 0 DBADRM O=C(NC[C@H]1CCCN1[C@@H]1CCNC1=O)c1cnc[nH]c1=O ZINC001027957986 665781828 /nfs/dbraw/zinc/78/18/28/665781828.db2.gz VFWYODPLRMQRID-MWLCHTKSSA-N -1 0 305.338 -0.735 20 0 DBADRM Cn1[nH]c(CN2CCCN(C(=O)[C@@H]3CCCO3)CC2)nc1=O ZINC000980668824 665785544 /nfs/dbraw/zinc/78/55/44/665785544.db2.gz DULLYICTXUZIHM-NSHDSACASA-N -1 0 309.370 -0.678 20 0 DBADRM Cc1cc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)[nH]n1 ZINC000980773178 665797782 /nfs/dbraw/zinc/79/77/82/665797782.db2.gz LSBMVKXVMNKJHO-UHFFFAOYSA-N -1 0 305.342 -0.110 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980819125 665801697 /nfs/dbraw/zinc/80/16/97/665801697.db2.gz PBEOYPOWCOPKRN-VHSXEESVSA-N -1 0 323.353 -0.646 20 0 DBADRM CCC(C)(C)[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000843297503 665802784 /nfs/dbraw/zinc/80/27/84/665802784.db2.gz SZYXLLSZTUEQKS-MRVPVSSYSA-N -1 0 315.413 -0.160 20 0 DBADRM O=C(Cc1cc[nH]n1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980885366 665808791 /nfs/dbraw/zinc/80/87/91/665808791.db2.gz SZWAFBJTKMECCQ-UHFFFAOYSA-N -1 0 305.342 -0.490 20 0 DBADRM O=C([C@H]1CCNC(=O)C1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980964595 665813968 /nfs/dbraw/zinc/81/39/68/665813968.db2.gz VIXMFLFPVKZCCM-JTQLQIEISA-N -1 0 322.369 -0.929 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN([C@@H]3CCNC3=O)CC2)c1[O-] ZINC000980981608 665814479 /nfs/dbraw/zinc/81/44/79/665814479.db2.gz AFKBQGGOMCNEHR-SNVBAGLBSA-N -1 0 307.354 -0.540 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN(Cc3cnnn3C)CC2)c1[O-] ZINC000980981853 665814902 /nfs/dbraw/zinc/81/49/02/665814902.db2.gz LCSXUBHFPGNLRZ-UHFFFAOYSA-N -1 0 319.369 -0.100 20 0 DBADRM O=C(c1cccc(=O)[nH]1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980906471 665810732 /nfs/dbraw/zinc/81/07/32/665810732.db2.gz KJWJUXXKIRRRBN-UHFFFAOYSA-N -1 0 318.337 -0.041 20 0 DBADRM COC1CC(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC000981405077 665849203 /nfs/dbraw/zinc/84/92/03/665849203.db2.gz XJYYCHVKHWOPTO-UHFFFAOYSA-N -1 0 309.370 -0.030 20 0 DBADRM C[C@H]1C[C@H](C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)CO1 ZINC000981491738 665853209 /nfs/dbraw/zinc/85/32/09/665853209.db2.gz UIRAHDQIQWWLFK-QWRGUYRKSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1n[nH]cc1C(=O)N1CCCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC000981723956 665870076 /nfs/dbraw/zinc/87/00/76/665870076.db2.gz PCGDMERQAIHGEF-UHFFFAOYSA-N -1 0 319.369 -0.512 20 0 DBADRM O=C(N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@]1(F)CCOC1 ZINC000981822222 665878131 /nfs/dbraw/zinc/87/81/31/665878131.db2.gz YHCIHOAVEQKHMO-CYBMUJFWSA-N -1 0 313.333 -0.327 20 0 DBADRM Cc1ncc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)n1C ZINC000981824873 665879253 /nfs/dbraw/zinc/87/92/53/665879253.db2.gz ZLDFJUWWGZQQSC-UHFFFAOYSA-N -1 0 319.369 -0.100 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1ccnnc1 ZINC001028161620 665893340 /nfs/dbraw/zinc/89/33/40/665893340.db2.gz RVWWJSIACASSEZ-JTQLQIEISA-N -1 0 303.326 -0.305 20 0 DBADRM CC[C@@H](C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)[NH+](C)C ZINC000981976174 665898186 /nfs/dbraw/zinc/89/81/86/665898186.db2.gz GUEDKYTWMDKHJJ-NSHDSACASA-N -1 0 310.402 -0.115 20 0 DBADRM CCOC(=O)CN(C)S(=O)(=O)[N-]C(=O)[C@]1(C)CC1(F)F ZINC000893697014 665909387 /nfs/dbraw/zinc/90/93/87/665909387.db2.gz DFKFKWUJVWPOQD-VIFPVBQESA-N -1 0 314.310 -0.112 20 0 DBADRM O=C(Cc1cnc[nH]1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000982038106 665909963 /nfs/dbraw/zinc/90/99/63/665909963.db2.gz ATTRVSUCWOYHOK-UHFFFAOYSA-N -1 0 305.342 -0.490 20 0 DBADRM O=C(CCc1cn[nH]c1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000982132387 665915990 /nfs/dbraw/zinc/91/59/90/665915990.db2.gz SFWRSVILVLALMA-UHFFFAOYSA-N -1 0 319.369 -0.100 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1ncccn1 ZINC001028219017 665915315 /nfs/dbraw/zinc/91/53/15/665915315.db2.gz TYINXBWRJGOUDE-SECBINFHSA-N -1 0 303.326 -0.305 20 0 DBADRM CCn1cc(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001028230142 665931000 /nfs/dbraw/zinc/93/10/00/665931000.db2.gz USUKDGLMPLNSDM-VIFPVBQESA-N -1 0 320.357 -0.484 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2[C@H]2CCN(C)C2=O)c1[O-] ZINC001038162308 665934483 /nfs/dbraw/zinc/93/44/83/665934483.db2.gz UQFJFWVNQQLKJS-ZJUUUORDSA-N -1 0 307.354 -0.541 20 0 DBADRM CCC(=O)N1CC[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000982312424 665955301 /nfs/dbraw/zinc/95/53/01/665955301.db2.gz HDTBZBJDGOETBU-SECBINFHSA-N -1 0 308.338 -0.526 20 0 DBADRM CC(=O)N1CC[C@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000982316975 665957475 /nfs/dbraw/zinc/95/74/75/665957475.db2.gz RRVIGPBBHMWAJX-SNVBAGLBSA-N -1 0 303.322 -0.379 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2[C@H]2CCCN(C)C2=O)c1[O-] ZINC001038164466 665963386 /nfs/dbraw/zinc/96/33/86/665963386.db2.gz JCODBBCMXRWRIM-MNOVXSKESA-N -1 0 321.381 -0.151 20 0 DBADRM COc1ccc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC000949188447 665964698 /nfs/dbraw/zinc/96/46/98/665964698.db2.gz PJBHHOKOHQHALQ-UHFFFAOYSA-N -1 0 318.337 -0.128 20 0 DBADRM C[C@@H](NC(=O)c1ccc(=O)[nH]n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969252427 663809210 /nfs/dbraw/zinc/80/92/10/663809210.db2.gz SAFVVFJMWPIZNZ-SSDOTTSWSA-N -1 0 319.325 -0.744 20 0 DBADRM Cc1c(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC000969312796 663812710 /nfs/dbraw/zinc/81/27/10/663812710.db2.gz AKNLLHFJTHLMHB-QMMMGPOBSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001020456700 663813516 /nfs/dbraw/zinc/81/35/16/663813516.db2.gz DCYSLDRDIXWVHI-RGOKHQFPSA-N -1 0 323.353 -0.549 20 0 DBADRM Cc1ncncc1C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969342888 663818461 /nfs/dbraw/zinc/81/84/61/663818461.db2.gz RROCVZMTISVOOL-MRVPVSSYSA-N -1 0 317.353 -0.141 20 0 DBADRM CCn1cc(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC000969416679 663828272 /nfs/dbraw/zinc/82/82/72/663828272.db2.gz BOFPBYSIOMDYQM-SECBINFHSA-N -1 0 319.369 -0.023 20 0 DBADRM CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000969466338 663835426 /nfs/dbraw/zinc/83/54/26/663835426.db2.gz PTQCTQHUBFNBSI-DTORHVGOSA-N -1 0 321.337 -0.246 20 0 DBADRM CCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000969467211 663835801 /nfs/dbraw/zinc/83/58/01/663835801.db2.gz XAGSXLMBQUWLEM-OCAPTIKFSA-N -1 0 307.310 -0.492 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN([C@@H]3CCNC3=O)C2)c1[O-] ZINC000969506187 663838983 /nfs/dbraw/zinc/83/89/83/663838983.db2.gz OLODDYTUICAADU-GMSGAONNSA-N -1 0 307.354 -0.638 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(Cc3nncn3C)C2)c1[O-] ZINC000969505812 663839001 /nfs/dbraw/zinc/83/90/01/663839001.db2.gz GXSFISFCIPSZOY-QMMMGPOBSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN([C@@H]3CCCNC3=O)C2)c1[O-] ZINC000969505758 663839025 /nfs/dbraw/zinc/83/90/25/663839025.db2.gz FCOSSIYQDCEJCH-LDYMZIIASA-N -1 0 321.381 -0.248 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(Cc3nnn(C)n3)C2)c1[O-] ZINC000969505878 663839111 /nfs/dbraw/zinc/83/91/11/663839111.db2.gz IJXRUSQWKCEDLL-ZETCQYMHSA-N -1 0 320.357 -0.802 20 0 DBADRM CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000969510666 663839875 /nfs/dbraw/zinc/83/98/75/663839875.db2.gz RPSBXGZPMKRYQR-AOOOYVTPSA-N -1 0 323.353 -0.453 20 0 DBADRM C[C@H](NC(=O)c1ncccc1O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969544896 663843387 /nfs/dbraw/zinc/84/33/87/663843387.db2.gz YCHVJBCIPVNRRW-QMMMGPOBSA-N -1 0 318.337 -0.139 20 0 DBADRM CCn1nccc1C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969551610 663844581 /nfs/dbraw/zinc/84/45/81/663844581.db2.gz NZUBAKZRQDPDSD-SECBINFHSA-N -1 0 319.369 -0.023 20 0 DBADRM Cc1ncc(C(=O)N2CC[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC000969720194 663859055 /nfs/dbraw/zinc/85/90/55/663859055.db2.gz INAGHAFZNVIBLL-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@@H]3C)[C@@H](O)C2)c1[O-] ZINC000969760470 663863491 /nfs/dbraw/zinc/86/34/91/663863491.db2.gz LWFMCBAMHMUNAQ-MCNGFCJOSA-N -1 0 308.338 -0.619 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969906165 663880289 /nfs/dbraw/zinc/88/02/89/663880289.db2.gz BZWPWBKDHZVLBA-ZCFIWIBFSA-N -1 0 321.341 -0.502 20 0 DBADRM CC(=O)NC[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001020778541 663904230 /nfs/dbraw/zinc/90/42/30/663904230.db2.gz IMRYYFMJHOURMQ-WPRPVWTQSA-N -1 0 311.342 -0.690 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000804773139 663930324 /nfs/dbraw/zinc/93/03/24/663930324.db2.gz FKFNDANTGGZCSQ-RYUDHWBXSA-N -1 0 317.386 -0.704 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](NCc2ccon2)C1 ZINC001020983822 663930904 /nfs/dbraw/zinc/93/09/04/663930904.db2.gz VAWKWHYCXKXLRJ-KYZUINATSA-N -1 0 308.298 -0.886 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCCCN1CCCCC1=O ZINC000804777405 663930970 /nfs/dbraw/zinc/93/09/70/663930970.db2.gz DDORAQGZHGMTFZ-UHFFFAOYSA-N -1 0 315.370 -0.411 20 0 DBADRM Cc1cnn(C)c1C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970291542 663962878 /nfs/dbraw/zinc/96/28/78/663962878.db2.gz CGMKAMFWVORWSF-SECBINFHSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN([C@H](C)C(=O)N(C)C)C2)c1[O-] ZINC001010643211 663967924 /nfs/dbraw/zinc/96/79/24/663967924.db2.gz UKMASVWINQLASK-NXEZZACHSA-N -1 0 309.370 -0.295 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC000909916345 674584891 /nfs/dbraw/zinc/58/48/91/674584891.db2.gz LREWEBPKYCPUPL-UHFFFAOYSA-N -1 0 313.383 -0.328 20 0 DBADRM Cc1cnc(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC000971014768 664094353 /nfs/dbraw/zinc/09/43/53/664094353.db2.gz LKTRFZZTJJWDSC-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM CN(C)c1noc(CCC(=O)N2CC([C@@H](F)C(=O)[O-])C2)n1 ZINC000910125310 674594622 /nfs/dbraw/zinc/59/46/22/674594622.db2.gz VBVKPMOWABZGOT-SNVBAGLBSA-N -1 0 300.290 -0.051 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001010876915 664097247 /nfs/dbraw/zinc/09/72/47/664097247.db2.gz MSNBHNNURDUPJG-QMMMGPOBSA-N -1 0 307.314 -0.865 20 0 DBADRM Cc1cc(C(=O)N2CC[C@@H](N(C)Cc3nc(=O)n(C)[nH]3)C2)on1 ZINC000971070244 664104818 /nfs/dbraw/zinc/10/48/18/664104818.db2.gz ZTSSGVMGXOMJEE-SNVBAGLBSA-N -1 0 320.353 -0.249 20 0 DBADRM CN(C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1)S(C)(=O)=O ZINC000910024057 674590798 /nfs/dbraw/zinc/59/07/98/674590798.db2.gz YKPZNQADIDSTHE-MXWKQRLJSA-N -1 0 318.395 -0.163 20 0 DBADRM CN(C(=O)CCSCC(=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000910033658 674591134 /nfs/dbraw/zinc/59/11/34/674591134.db2.gz OVZUNGQJANQWGJ-SECBINFHSA-N -1 0 324.424 -0.313 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000910034395 674591394 /nfs/dbraw/zinc/59/13/94/674591394.db2.gz WSZUMTGKDMGRCA-ZJUUUORDSA-N -1 0 306.384 -0.165 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CC(C)(C(=O)[O-])C1 ZINC000910060059 674592296 /nfs/dbraw/zinc/59/22/96/674592296.db2.gz BDLCZNAPAXOSJC-OAHLLOKOSA-N -1 0 308.334 -0.159 20 0 DBADRM Cc1cc(CC(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC000971324597 664141853 /nfs/dbraw/zinc/14/18/53/664141853.db2.gz BMVQLMRWBPLVCP-NSHDSACASA-N -1 0 319.369 -0.183 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)Cc3cnn(C)n3)C2)c1[O-] ZINC000971360114 664147491 /nfs/dbraw/zinc/14/74/91/664147491.db2.gz IYZLXBDDVPHVPE-NSHDSACASA-N -1 0 319.369 -0.101 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2cc(=O)n(C)o2)C1 ZINC000971413352 664161875 /nfs/dbraw/zinc/16/18/75/664161875.db2.gz FWTUJBOSCHJIHH-QMMMGPOBSA-N -1 0 322.325 -0.852 20 0 DBADRM Cc1cc(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)cnn1 ZINC000971416802 664163269 /nfs/dbraw/zinc/16/32/69/664163269.db2.gz FZTJWEFNXYNHPB-LLVKDONJSA-N -1 0 317.353 -0.045 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)Cn2nnc3c2CCCC3)C1 ZINC000910221895 674596495 /nfs/dbraw/zinc/59/64/95/674596495.db2.gz MYDGOWNSNIBTRV-CQSZACIVSA-N -1 0 308.338 -0.141 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](N[C@H](C)c3nnnn3C)C2)c1[O-] ZINC001021974397 664182000 /nfs/dbraw/zinc/18/20/00/664182000.db2.gz ZNUJYWNXJHVUBD-HLTSFMKQSA-N -1 0 320.357 -0.441 20 0 DBADRM O=C([O-])[C@@H](Cc1ncccn1)NS(=O)(=O)C[C@@H]1CCCO1 ZINC000650428980 664188661 /nfs/dbraw/zinc/18/86/61/664188661.db2.gz YKGAYKOLQGHZCE-VHSXEESVSA-N -1 0 315.351 -0.429 20 0 DBADRM Cc1c[nH]nc1C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000971515557 664198217 /nfs/dbraw/zinc/19/82/17/664198217.db2.gz BRBHNXHWQBQQJV-VIFPVBQESA-N -1 0 305.342 -0.112 20 0 DBADRM Cc1cn(C)nc1C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000971529831 664199173 /nfs/dbraw/zinc/19/91/73/664199173.db2.gz YAVRCIPLSLTRQH-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM Cn1nccc1[C@H](NS(=O)(=O)N1CCCCC1)C(=O)[O-] ZINC000402647028 664200332 /nfs/dbraw/zinc/20/03/32/664200332.db2.gz KHXVBMFBWGSNOL-JTQLQIEISA-N -1 0 302.356 -0.134 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000910251147 674599155 /nfs/dbraw/zinc/59/91/55/674599155.db2.gz DUTVJFCRGYFPDB-JTQLQIEISA-N -1 0 321.399 -0.562 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H](O)C2CCOCC2)[C@@](C)(C(=O)[O-])C1 ZINC000910264506 674600312 /nfs/dbraw/zinc/60/03/12/674600312.db2.gz LFKKJIWQKQRZSX-COPLHBTASA-N -1 0 301.339 -0.136 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1CCO[C@](C)(C(=O)[O-])C1)CC2 ZINC000910322430 674603534 /nfs/dbraw/zinc/60/35/34/674603534.db2.gz IKGWFGIIUBOPOQ-YGRLFVJLSA-N -1 0 308.338 -0.149 20 0 DBADRM COC1CC(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC000971750884 664249672 /nfs/dbraw/zinc/24/96/72/664249672.db2.gz VBGURSUVQWOPAL-HSOILSAZSA-N -1 0 309.370 -0.032 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC000971750812 664249822 /nfs/dbraw/zinc/24/98/22/664249822.db2.gz SICANTDTQNSPRF-NXEZZACHSA-N -1 0 322.369 -0.788 20 0 DBADRM CC(C)[C@@H](CNS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000087496412 664260254 /nfs/dbraw/zinc/26/02/54/664260254.db2.gz RBRNLAVWHGZLDR-MRVPVSSYSA-N -1 0 301.386 -0.693 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000910421974 674605285 /nfs/dbraw/zinc/60/52/85/674605285.db2.gz QJYRPFZQROSYJB-CABZTGNLSA-N -1 0 304.368 -0.409 20 0 DBADRM CN1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)S1(=O)=O ZINC000910422734 674605296 /nfs/dbraw/zinc/60/52/96/674605296.db2.gz WKCVZZSDLHIOKN-CWSCBRNRSA-N -1 0 316.379 -0.266 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C2CC2)cc1C(N)=O ZINC000176079043 664267764 /nfs/dbraw/zinc/26/77/64/664267764.db2.gz FNLQTHWMPBHJRV-NXEZZACHSA-N -1 0 311.363 -0.025 20 0 DBADRM Cc1nonc1CN[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001022369614 664268248 /nfs/dbraw/zinc/26/82/48/664268248.db2.gz LCOXOUVPFUHIOD-KNVOCYPGSA-N -1 0 321.297 -0.975 20 0 DBADRM Cc1nc(CN[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)co1 ZINC001022370025 664268454 /nfs/dbraw/zinc/26/84/54/664268454.db2.gz SFWUMMHSQUHATB-OCAPTIKFSA-N -1 0 320.309 -0.370 20 0 DBADRM Cc1cc(CN[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)no1 ZINC001022369554 664268531 /nfs/dbraw/zinc/26/85/31/664268531.db2.gz KGEIXWWHFNNXIK-OCAPTIKFSA-N -1 0 320.309 -0.370 20 0 DBADRM CN(Cc1ccon1)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000971869153 664281965 /nfs/dbraw/zinc/28/19/65/664281965.db2.gz IWHLYAPMIXFNTP-SECBINFHSA-N -1 0 320.309 -0.383 20 0 DBADRM CNC(=O)N1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)CC1 ZINC000933981570 664284384 /nfs/dbraw/zinc/28/43/84/664284384.db2.gz ATLWKBLWCOKJAD-UHFFFAOYSA-N -1 0 323.397 -0.142 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)[C@H]1CO ZINC000926344015 664312190 /nfs/dbraw/zinc/31/21/90/664312190.db2.gz VMQFJLWGOYEIQW-MGAJPHDKSA-N -1 0 324.377 -0.215 20 0 DBADRM C[C@]1(C(=O)[O-])CN(c2nccc(N3CCOCC3)n2)CCO1 ZINC000910479266 674610572 /nfs/dbraw/zinc/61/05/72/674610572.db2.gz HPUZOXJKQWJUAY-CQSZACIVSA-N -1 0 308.338 -0.007 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000972064317 664324219 /nfs/dbraw/zinc/32/42/19/664324219.db2.gz RTEVSTDJXQEFAQ-MRVPVSSYSA-N -1 0 306.330 -0.717 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000972125255 664336988 /nfs/dbraw/zinc/33/69/88/664336988.db2.gz QQQCLJOCSOQSSZ-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NC/C=C/Cl)C2 ZINC000910494383 674613315 /nfs/dbraw/zinc/61/33/15/674613315.db2.gz DOKHAOBIWICPJH-UAKLJDSASA-N -1 0 302.714 -0.585 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000910494423 674613378 /nfs/dbraw/zinc/61/33/78/674613378.db2.gz FRIIKDIIEMTSFZ-ZSOJELSESA-N -1 0 308.334 -0.398 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC000972262978 664358930 /nfs/dbraw/zinc/35/89/30/664358930.db2.gz LWHRSLAQHKTYAQ-XPTSAGLGSA-N -1 0 322.369 -0.788 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCCOC1CCSCC1 ZINC000910497949 674614599 /nfs/dbraw/zinc/61/45/99/674614599.db2.gz UJRNPAPKYVMTSU-UHFFFAOYSA-N -1 0 318.395 -0.052 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C[C@H]1O ZINC001022856288 664386125 /nfs/dbraw/zinc/38/61/25/664386125.db2.gz CFAQTEOCSMMMRC-CHWSQXEVSA-N -1 0 324.381 -0.917 20 0 DBADRM C/C=C(/C)C(=O)N1CC([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006492413 664387009 /nfs/dbraw/zinc/38/70/09/664387009.db2.gz JGLXVKSXFDGTOF-RBMBQVQZSA-N -1 0 321.337 -0.174 20 0 DBADRM O=C(NC[C@@H]1CN2CCN1CC2)c1n[n-]c2ccccc2c1=O ZINC000178722711 664404152 /nfs/dbraw/zinc/40/41/52/664404152.db2.gz XULWOBGXIDMRAU-LLVKDONJSA-N -1 0 313.361 -0.347 20 0 DBADRM CCCC[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000262265665 664425215 /nfs/dbraw/zinc/42/52/15/664425215.db2.gz HDUMDKHZNIAXII-SNVBAGLBSA-N -1 0 321.399 -0.339 20 0 DBADRM O=C(CN1CSCC1=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC000910579081 674620085 /nfs/dbraw/zinc/62/00/85/674620085.db2.gz CFNYXPXZWRMOJR-DTWKUNHWSA-N -1 0 302.352 -0.342 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@]2(C1)CN(Cc1n[nH]c(=O)[n-]1)CCO2 ZINC000972506995 664435378 /nfs/dbraw/zinc/43/53/78/664435378.db2.gz SRPDAFGWJHXOEU-ZIBATOQPSA-N -1 0 321.381 -0.030 20 0 DBADRM O=C([O-])C1(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000262320170 664447967 /nfs/dbraw/zinc/44/79/67/664447967.db2.gz QXPAQEHJPCRKLE-UHFFFAOYSA-N -1 0 304.368 -0.313 20 0 DBADRM COc1nc(C(=O)N2CCC(NC(=O)c3cn[nH]n3)CC2)co1 ZINC000947543459 664454439 /nfs/dbraw/zinc/45/44/39/664454439.db2.gz BEMCEFZZZRYDPU-UHFFFAOYSA-N -1 0 320.309 -0.164 20 0 DBADRM O=C(N[C@@H]1CN(C(=O)c2ccccc2O)C[C@H]1O)c1cocn1 ZINC001023189975 664463643 /nfs/dbraw/zinc/46/36/43/664463643.db2.gz QBDDASBWANZUGK-ZWNOBZJWSA-N -1 0 317.301 -0.005 20 0 DBADRM O=C(NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccn[nH]1 ZINC001023245301 664477200 /nfs/dbraw/zinc/47/72/00/664477200.db2.gz TUGWBHOALGFBIC-SECBINFHSA-N -1 0 305.342 -0.125 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CSCCS1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000910749986 674639092 /nfs/dbraw/zinc/63/90/92/674639092.db2.gz ZHEFWWMJFBUFKG-CSMHCCOUSA-N -1 0 306.409 -0.071 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000910755853 674640452 /nfs/dbraw/zinc/64/04/52/674640452.db2.gz OUYPUSHNZWMCCC-WZRBSPASSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CNC(=O)COc3ccccc3)C[C@@H]21 ZINC000910789928 674643149 /nfs/dbraw/zinc/64/31/49/674643149.db2.gz FHWKQFYBGFMUEI-JYAVWHMHSA-N -1 0 318.329 -0.029 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C[C@H]1CC(=O)[O-] ZINC000910867442 674649388 /nfs/dbraw/zinc/64/93/88/674649388.db2.gz XDBGRFLKVYSZQQ-MXWKQRLJSA-N -1 0 318.395 -0.020 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C(C)C)[C@H](O)C2)c1[O-] ZINC000991289597 674650449 /nfs/dbraw/zinc/65/04/49/674650449.db2.gz DGBXIOPQZVFFGC-NXEZZACHSA-N -1 0 310.354 -0.229 20 0 DBADRM CSC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-] ZINC000910883397 674650768 /nfs/dbraw/zinc/65/07/68/674650768.db2.gz PCYAGMROIZVMMS-RXMQYKEDSA-N -1 0 302.274 -0.013 20 0 DBADRM O=C(NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cn[nH]c1 ZINC001023251634 664810729 /nfs/dbraw/zinc/81/07/29/664810729.db2.gz WBSVEBHNPIINAM-SECBINFHSA-N -1 0 305.342 -0.125 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CCC3)C2)c1[O-] ZINC001023286737 664814223 /nfs/dbraw/zinc/81/42/23/664814223.db2.gz UPDHHCFBNBOEEZ-GHMZBOCLSA-N -1 0 322.365 -0.085 20 0 DBADRM O=C(NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@]12C[C@H]1COC2 ZINC001023383398 664822473 /nfs/dbraw/zinc/82/24/73/664822473.db2.gz UFGSRSKZQUWMSD-PGUXBMHVSA-N -1 0 321.381 -0.125 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3=CCCC3)C[C@H]2O)c1[O-] ZINC001023413598 664824509 /nfs/dbraw/zinc/82/45/09/664824509.db2.gz OOSBDWBFUIZTGS-GHMZBOCLSA-N -1 0 320.349 -0.164 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C=C3CCC3)C[C@H]2O)c1[O-] ZINC001023413030 664824699 /nfs/dbraw/zinc/82/46/99/664824699.db2.gz CMXUJCOVKDQXBA-GHMZBOCLSA-N -1 0 320.349 -0.164 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC3(C)CC3)C[C@H]2O)c1[O-] ZINC001023421089 664825483 /nfs/dbraw/zinc/82/54/83/664825483.db2.gz VJQFWVBDXSRQRG-NXEZZACHSA-N -1 0 322.365 -0.085 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2ccncn2)C1 ZINC000972576083 664830944 /nfs/dbraw/zinc/83/09/44/664830944.db2.gz RERKDFBPYKLSNU-VIFPVBQESA-N -1 0 303.326 -0.353 20 0 DBADRM CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCS(C)(=O)=O ZINC000136251693 664846072 /nfs/dbraw/zinc/84/60/72/664846072.db2.gz SIJRCRLYBGIACZ-MRVPVSSYSA-N -1 0 301.386 -0.550 20 0 DBADRM CC(=O)Nc1ccc(CC(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000170564737 664848865 /nfs/dbraw/zinc/84/88/65/664848865.db2.gz QDIMDABMPSSTNA-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CCCCS1(=O)=O ZINC000262864442 664855277 /nfs/dbraw/zinc/85/52/77/664855277.db2.gz DTCYPJRJIZAQJI-BXKDBHETSA-N -1 0 307.368 -0.050 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)c(C)nn1 ZINC001038294976 664857260 /nfs/dbraw/zinc/85/72/60/664857260.db2.gz HVQMVSMOLMXHJB-JTQLQIEISA-N -1 0 317.353 -0.079 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2OCC[C@@H]2N1S(=O)(=O)C[C@@H]1CCCO1 ZINC000926597709 664859478 /nfs/dbraw/zinc/85/94/78/664859478.db2.gz VWCODCWCQOCJCL-MMWGEVLESA-N -1 0 305.352 -0.188 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1=COCCO1 ZINC000972771067 664869672 /nfs/dbraw/zinc/86/96/72/664869672.db2.gz FEBQQUPNEQPYMS-SNVBAGLBSA-N -1 0 323.353 -0.275 20 0 DBADRM O=C(N[C@H]1C[C@H](NC(=O)C2CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000972878653 664883596 /nfs/dbraw/zinc/88/35/96/664883596.db2.gz XXAQQLIXUSYMSA-ZKCHVHJHSA-N -1 0 307.310 -0.540 20 0 DBADRM O=C(NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1COC(=O)N1 ZINC001024421599 664887786 /nfs/dbraw/zinc/88/77/86/664887786.db2.gz CFIUIXZEEPSGFD-RKDXNWHRSA-N -1 0 324.341 -0.911 20 0 DBADRM C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001024532461 664894692 /nfs/dbraw/zinc/89/46/92/664894692.db2.gz GYTCKGCXEOQRON-RKDXNWHRSA-N -1 0 311.342 -0.752 20 0 DBADRM O=C(N[C@@H]1CN(C(=O)c2ccsc2)C[C@H]1O)c1cn[nH]n1 ZINC001024544608 664895882 /nfs/dbraw/zinc/89/58/82/664895882.db2.gz CBXPIPWDBMIGEW-NXEZZACHSA-N -1 0 307.335 -0.519 20 0 DBADRM Cc1c[nH]cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024550927 664897681 /nfs/dbraw/zinc/89/76/81/664897681.db2.gz NHPYBINBLPJBLE-GHMZBOCLSA-N -1 0 304.310 -0.943 20 0 DBADRM O=C(NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1CCNC1=O ZINC001024595234 664902571 /nfs/dbraw/zinc/90/25/71/664902571.db2.gz GZFNGMONSSDQPT-NXEZZACHSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1cc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)c(C)o1 ZINC000154143452 664908536 /nfs/dbraw/zinc/90/85/36/664908536.db2.gz CKPVKCHDKGCDSZ-UHFFFAOYSA-N -1 0 314.323 -0.703 20 0 DBADRM Cn1ncc(C(=O)NC[C@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001024706227 664910237 /nfs/dbraw/zinc/91/02/37/664910237.db2.gz WGIYUVJUNRTLTB-SECBINFHSA-N -1 0 320.357 -0.577 20 0 DBADRM Cn1ncc(C(=O)NC[C@@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001024706228 664910485 /nfs/dbraw/zinc/91/04/85/664910485.db2.gz WGIYUVJUNRTLTB-VIFPVBQESA-N -1 0 320.357 -0.577 20 0 DBADRM CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)C1 ZINC001024980315 664932937 /nfs/dbraw/zinc/93/29/37/664932937.db2.gz CCRFJRJAAZYXSE-GHMZBOCLSA-N -1 0 322.365 -0.065 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)[C@@H]1CCc2nncn2CC1 ZINC000892596800 664949607 /nfs/dbraw/zinc/94/96/07/664949607.db2.gz UAZMTVLTHKKNCS-SNVBAGLBSA-N -1 0 313.383 -0.313 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)[C@H]1CCc2nncn2CC1 ZINC000892596799 664949886 /nfs/dbraw/zinc/94/98/86/664949886.db2.gz UAZMTVLTHKKNCS-JTQLQIEISA-N -1 0 313.383 -0.313 20 0 DBADRM O=C(N[C@H]1C[C@H](NC(=O)C2CC=CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000973114013 664990141 /nfs/dbraw/zinc/99/01/41/664990141.db2.gz LOLGMGFKRHROCF-KYZUINATSA-N -1 0 319.321 -0.374 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)Cc3cc[nH]n3)C2)c1[O-] ZINC000973119701 664990612 /nfs/dbraw/zinc/99/06/12/664990612.db2.gz AFZSBLDLOZPNMC-MGCOHNPYSA-N -1 0 318.337 -0.233 20 0 DBADRM CCN(C(=O)c1cn(C)cn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949891324 665028243 /nfs/dbraw/zinc/02/82/43/665028243.db2.gz NRBKLBIXVUDRJB-UHFFFAOYSA-N -1 0 305.342 -0.410 20 0 DBADRM C[C@@H](NC(=O)c1cn[nH]n1)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001025464982 665053874 /nfs/dbraw/zinc/05/38/74/665053874.db2.gz MMNVDYAQWGBCMX-BDAKNGLRSA-N -1 0 320.357 -0.341 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3ccnnc3)C2)c1[O-] ZINC000936254712 665054017 /nfs/dbraw/zinc/05/40/17/665054017.db2.gz DMZODKFZVLOBPM-SNVBAGLBSA-N -1 0 316.321 -0.142 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)[C@@H]2CC23CC3)C1)c1n[nH]c(=O)[n-]c1=O ZINC000936262873 665057171 /nfs/dbraw/zinc/05/71/71/665057171.db2.gz FRKDGAIRCJBKMS-SFYZADRCSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000892745220 665061666 /nfs/dbraw/zinc/06/16/66/665061666.db2.gz TYWOHEOZOYLSPG-GARJFASQSA-N -1 0 304.368 -0.505 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)n(C)c1=O ZINC000892747145 665062169 /nfs/dbraw/zinc/06/21/69/665062169.db2.gz NUXYIDKBIAXGKP-UHFFFAOYSA-N -1 0 301.246 -0.654 20 0 DBADRM C[C@H](NC(=O)c1nnc[nH]1)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001025567372 665064093 /nfs/dbraw/zinc/06/40/93/665064093.db2.gz TTYQOBFJVCFBCD-IUCAKERBSA-N -1 0 320.357 -0.341 20 0 DBADRM CC(=O)N[C@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C12CCC2 ZINC001025842730 665092863 /nfs/dbraw/zinc/09/28/63/665092863.db2.gz UWTZGELIJXSSQP-QWRGUYRKSA-N -1 0 320.349 -0.337 20 0 DBADRM O=C(COC1CC1)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000893080576 665117908 /nfs/dbraw/zinc/11/79/08/665117908.db2.gz MTJSJZUBWGNDMJ-UHFFFAOYSA-N -1 0 301.324 -0.351 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@@H]1CCCO1 ZINC001026025997 665120223 /nfs/dbraw/zinc/12/02/23/665120223.db2.gz DAACQXGINLGSJD-IIEKFROSSA-N -1 0 321.381 -0.128 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H](OC)c1ccccc1 ZINC000295134425 665124345 /nfs/dbraw/zinc/12/43/45/665124345.db2.gz KDTLWUXILXJYHL-RYUDHWBXSA-N -1 0 317.363 -0.173 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCO1 ZINC001026125591 665125332 /nfs/dbraw/zinc/12/53/32/665125332.db2.gz GAMKZOCPIJAGTJ-OQEOFVATSA-N -1 0 321.381 -0.128 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973828812 665130571 /nfs/dbraw/zinc/13/05/71/665130571.db2.gz QEAYKWPJGLPNPQ-LURQLKTLSA-N -1 0 309.326 -0.891 20 0 DBADRM Cc1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)c(C)n1 ZINC000974297373 665188147 /nfs/dbraw/zinc/18/81/47/665188147.db2.gz LHWCYJOABUQXPC-AOOOYVTPSA-N -1 0 315.337 -0.098 20 0 DBADRM NS(=O)(=O)c1cnn(CC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000725898866 665189969 /nfs/dbraw/zinc/18/99/69/665189969.db2.gz VHJFUXKICJKKIN-JTQLQIEISA-N -1 0 304.328 -0.895 20 0 DBADRM CCN(C(=O)C1CN(C(C)=O)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949966451 665209895 /nfs/dbraw/zinc/20/98/95/665209895.db2.gz VBVONSXOQZKULE-UHFFFAOYSA-N -1 0 322.369 -0.979 20 0 DBADRM O=C(NC[C@@H](O)c1ccco1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000123619085 665210381 /nfs/dbraw/zinc/21/03/81/665210381.db2.gz RCYKVPVDEHJCAL-SECBINFHSA-N -1 0 316.273 -0.332 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCO2)C[C@H]1C1CC1 ZINC000911244101 674693696 /nfs/dbraw/zinc/69/36/96/674693696.db2.gz HLPNMDYFCBCIHB-SDDRHHMPSA-N -1 0 310.350 -0.149 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CC2(C)C)nn1 ZINC000974570207 665233493 /nfs/dbraw/zinc/23/34/93/665233493.db2.gz QRRAQKVSTBMMFX-SECBINFHSA-N -1 0 320.357 -0.721 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC000974605588 665235613 /nfs/dbraw/zinc/23/56/13/665235613.db2.gz AGWHFDJIAVMTCR-YHAQOWFVSA-N -1 0 321.381 -0.127 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC000974605586 665235744 /nfs/dbraw/zinc/23/57/44/665235744.db2.gz AGWHFDJIAVMTCR-WMFXKJRFSA-N -1 0 321.381 -0.127 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC000974636637 665237118 /nfs/dbraw/zinc/23/71/18/665237118.db2.gz OINQBKUVQNKEAW-RKDXNWHRSA-N -1 0 319.321 -0.634 20 0 DBADRM Cn1cncc1C(=O)N1CC[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001026942167 665246149 /nfs/dbraw/zinc/24/61/49/665246149.db2.gz CJXDHJCQLWGQBE-SECBINFHSA-N -1 0 305.342 -0.504 20 0 DBADRM CCC(=O)N1CCC[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000975436350 665280341 /nfs/dbraw/zinc/28/03/41/665280341.db2.gz LEKLPPYPUGWPCY-JTQLQIEISA-N -1 0 322.365 -0.136 20 0 DBADRM CC(=O)N1CCC[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000975438352 665280410 /nfs/dbraw/zinc/28/04/10/665280410.db2.gz QQKYRRYWFCZNMS-SNVBAGLBSA-N -1 0 308.338 -0.526 20 0 DBADRM CCOC(=O)CCN(C)S(=O)(=O)[N-]C(=O)c1cccn1C ZINC000893422864 665314736 /nfs/dbraw/zinc/31/47/36/665314736.db2.gz SERFIDFGVQFIFJ-UHFFFAOYSA-N -1 0 317.367 -0.115 20 0 DBADRM CCOC(=O)CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCSC1 ZINC000893424498 665315481 /nfs/dbraw/zinc/31/54/81/665315481.db2.gz ZQEHYNKSSRASDL-SECBINFHSA-N -1 0 324.424 -0.015 20 0 DBADRM CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000976096047 665323913 /nfs/dbraw/zinc/32/39/13/665323913.db2.gz LUXUZIOPGMPEHW-RKDXNWHRSA-N -1 0 311.342 -0.357 20 0 DBADRM CO[C@H](C)C(=O)N1CCC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001027321457 665336011 /nfs/dbraw/zinc/33/60/11/665336011.db2.gz RYKGYKKQWKLSIV-GHMZBOCLSA-N -1 0 311.386 -0.434 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cocn2)c1[O-] ZINC000976252550 665341066 /nfs/dbraw/zinc/34/10/66/665341066.db2.gz GKUVABICJPFSOH-MBTKJCJQSA-N -1 0 317.305 -0.088 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000911257885 674699382 /nfs/dbraw/zinc/69/93/82/674699382.db2.gz ZHRQPOLGNKLOHV-NSHDSACASA-N -1 0 312.297 -0.162 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)c1[O-] ZINC000976525612 665367089 /nfs/dbraw/zinc/36/70/89/665367089.db2.gz KHWCTKVAQBQDSM-HTQZYQBOSA-N -1 0 309.326 -0.934 20 0 DBADRM CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC000976781329 665390413 /nfs/dbraw/zinc/39/04/13/665390413.db2.gz AIZICZRJXZFFBO-VIKVFOODSA-N -1 0 320.393 -0.032 20 0 DBADRM O=C(CC1OCCCO1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000976798872 665392165 /nfs/dbraw/zinc/39/21/65/665392165.db2.gz FOHDGWATAFOJIC-WOFXILAISA-N -1 0 321.337 -0.856 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]n2)CCO1 ZINC000976809733 665395253 /nfs/dbraw/zinc/39/52/53/665395253.db2.gz GRBRUPIFOIUCGT-OQEOFVATSA-N -1 0 319.365 -0.194 20 0 DBADRM C[C@H]1C[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]n2)CCO1 ZINC000976809731 665395332 /nfs/dbraw/zinc/39/53/32/665395332.db2.gz GRBRUPIFOIUCGT-HKLXJQGRSA-N -1 0 319.365 -0.194 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000976888262 665403061 /nfs/dbraw/zinc/40/30/61/665403061.db2.gz FPDKWKSRZNEAOD-DMAGGPPCSA-N -1 0 319.321 -0.875 20 0 DBADRM Cn1cc(N2CCN(C(=O)Cn3ccc(C(=O)[O-])n3)CC2)cn1 ZINC000911383004 674713322 /nfs/dbraw/zinc/71/33/22/674713322.db2.gz QYXCYBDYGZLTLU-UHFFFAOYSA-N -1 0 318.337 -0.336 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC000911595177 674741131 /nfs/dbraw/zinc/74/11/31/674741131.db2.gz UVOAUNVVIKWWGL-WDEREUQCSA-N -1 0 308.338 -0.299 20 0 DBADRM CC(C)CN1C[C@H](C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])CC1=O ZINC000911641305 674742269 /nfs/dbraw/zinc/74/22/69/674742269.db2.gz AQQDUMDWPIQFJV-MDZLAQPJSA-N -1 0 312.366 -0.073 20 0 DBADRM CCO[C@H](C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-])[C@H]1CCOC1 ZINC000911624154 674743036 /nfs/dbraw/zinc/74/30/36/674743036.db2.gz OPSPZILIWIAJDM-BJDJZHNGSA-N -1 0 301.339 -0.136 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-])CC2 ZINC000911632018 674743177 /nfs/dbraw/zinc/74/31/77/674743177.db2.gz VFXBLFRTPSSMHG-WQAKAFBOSA-N -1 0 307.350 -0.039 20 0 DBADRM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC000911742609 674746605 /nfs/dbraw/zinc/74/66/05/674746605.db2.gz KEFXVHPABIODCN-VIFPVBQESA-N -1 0 304.368 -0.266 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@H](C)CC(=O)[O-])[C@H](C)C1 ZINC000911744635 674746641 /nfs/dbraw/zinc/74/66/41/674746641.db2.gz NWCMZBKMDZKHCO-VHSXEESVSA-N -1 0 306.384 -0.020 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000911741106 674746675 /nfs/dbraw/zinc/74/66/75/674746675.db2.gz GUVITHZFSNAYQS-VHSXEESVSA-N -1 0 306.384 -0.020 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C3CC3)C[C@H]2O)c1[O-] ZINC000991394406 674782294 /nfs/dbraw/zinc/78/22/94/674782294.db2.gz TVLDOPKLZIATIF-VHSXEESVSA-N -1 0 308.338 -0.475 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2O)c1[O-] ZINC000991394407 674782422 /nfs/dbraw/zinc/78/24/22/674782422.db2.gz TVLDOPKLZIATIF-ZJUUUORDSA-N -1 0 308.338 -0.475 20 0 DBADRM O=C(NC[C@@]1(CO)COCCN1)c1cc(F)c([O-])c(F)c1 ZINC000913183578 674793145 /nfs/dbraw/zinc/79/31/45/674793145.db2.gz RZALEKCFJZUXHY-CYBMUJFWSA-N -1 0 302.277 -0.249 20 0 DBADRM CO[C@H](C)C(=O)N[N-]C(=O)c1csc(N2CCOCC2)n1 ZINC000055408923 674806853 /nfs/dbraw/zinc/80/68/53/674806853.db2.gz XHBRTULVCHKKHA-MRVPVSSYSA-N -1 0 314.367 -0.224 20 0 DBADRM CO[C@@H](C)C(=O)N[N-]C(=O)c1csc(N2CCOCC2)n1 ZINC000055408922 674806922 /nfs/dbraw/zinc/80/69/22/674806922.db2.gz XHBRTULVCHKKHA-QMMMGPOBSA-N -1 0 314.367 -0.224 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001011848466 674813659 /nfs/dbraw/zinc/81/36/59/674813659.db2.gz FIJVNGOBLWHQSP-UWVGGRQHSA-N -1 0 323.353 -0.594 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001011848467 674813433 /nfs/dbraw/zinc/81/34/33/674813433.db2.gz FIJVNGOBLWHQSP-VHSXEESVSA-N -1 0 323.353 -0.594 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC000991562686 674817666 /nfs/dbraw/zinc/81/76/66/674817666.db2.gz ZYOYHMQLYVSBPY-XNCQJXHWSA-N -1 0 320.349 -0.160 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001030076126 674818750 /nfs/dbraw/zinc/81/87/50/674818750.db2.gz WVRAGZDQKGOZSX-BXKDBHETSA-N -1 0 301.350 -0.021 20 0 DBADRM O=C(N[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)c1cn[nH]n1 ZINC000991568365 674820889 /nfs/dbraw/zinc/82/08/89/674820889.db2.gz NHPAPOAUUZJJSB-RNCFNFMXSA-N -1 0 318.341 -0.445 20 0 DBADRM C/C(=C\C(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)[C@H](O)C1)C1CC1 ZINC000991604364 674842768 /nfs/dbraw/zinc/84/27/68/674842768.db2.gz SRYXZIMKOMNCLE-PLGKGIRVSA-N -1 0 319.365 -0.147 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN([C@H](C)c3nnnn3C)C2)c1[O-] ZINC001030220903 674846714 /nfs/dbraw/zinc/84/67/14/674846714.db2.gz APXNMHMFZFYGMD-SSDOTTSWSA-N -1 0 306.330 -0.878 20 0 DBADRM CCN1CC[C@H](N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)C1=O ZINC001030222034 674846885 /nfs/dbraw/zinc/84/68/85/674846885.db2.gz CWDIVTQRBHHYPD-JTQLQIEISA-N -1 0 307.354 -0.541 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN([C@@H](C)c3nncn3C)C2)c1[O-] ZINC001030222604 674847031 /nfs/dbraw/zinc/84/70/31/674847031.db2.gz QTUJEMSLFLAQPX-QMMMGPOBSA-N -1 0 305.342 -0.273 20 0 DBADRM COc1ccc(CN2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)nn1 ZINC001030223334 674847091 /nfs/dbraw/zinc/84/70/91/674847091.db2.gz APSRXAUQJISOTC-UHFFFAOYSA-N -1 0 318.337 -0.163 20 0 DBADRM CCn1nnc(C)c1CN1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001030224134 674847127 /nfs/dbraw/zinc/84/71/27/674847127.db2.gz IWCBVNJQZGNRLB-UHFFFAOYSA-N -1 0 319.369 -0.042 20 0 DBADRM O=C(NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1)[C@H]1CC1(F)F ZINC001030284206 674857518 /nfs/dbraw/zinc/85/75/18/674857518.db2.gz JYYNYNLQFFNSEV-SNVBAGLBSA-N -1 0 323.303 -0.022 20 0 DBADRM CC1(C(=O)N2CC(NC(=O)c3c[n-]n4c3nccc4=O)C2)CC1 ZINC000991663793 674861191 /nfs/dbraw/zinc/86/11/91/674861191.db2.gz XLFUKTXONDUWRP-UHFFFAOYSA-N -1 0 315.333 -0.237 20 0 DBADRM CC(C)(F)C(=O)N1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000991666470 674861703 /nfs/dbraw/zinc/86/17/03/674861703.db2.gz MIWZNLDNZFQXCL-UHFFFAOYSA-N -1 0 321.312 -0.289 20 0 DBADRM C[C@H](C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnn1C ZINC001030331539 674865348 /nfs/dbraw/zinc/86/53/48/674865348.db2.gz IOGZZKQRMGHPGP-QMMMGPOBSA-N -1 0 305.342 -0.652 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCc2c[nH]nc21 ZINC001030316451 674863142 /nfs/dbraw/zinc/86/31/42/674863142.db2.gz HJBXGBPUVFBOEX-JTQLQIEISA-N -1 0 317.353 -0.346 20 0 DBADRM CC(C)(C)n1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001030411988 674884668 /nfs/dbraw/zinc/88/46/68/674884668.db2.gz YEYBMEFFPLEOPD-UHFFFAOYSA-N -1 0 320.357 -0.529 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)CC1=O ZINC000842333963 674895425 /nfs/dbraw/zinc/89/54/25/674895425.db2.gz MLDHXZVESAQRRD-IUCAKERBSA-N -1 0 320.367 -0.748 20 0 DBADRM O=C(c1cc2n(n1)CCO2)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948785098 674896689 /nfs/dbraw/zinc/89/66/89/674896689.db2.gz YTNHWZWUDIGYPI-UHFFFAOYSA-N -1 0 319.325 -0.943 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc2cccn2cn1 ZINC001030508543 674898365 /nfs/dbraw/zinc/89/83/65/674898365.db2.gz WSPHLAQEHLWQIR-UHFFFAOYSA-N -1 0 313.321 -0.228 20 0 DBADRM CN(C)Cc1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001030585171 674907320 /nfs/dbraw/zinc/90/73/20/674907320.db2.gz RDJHUHQVPLLXEF-UHFFFAOYSA-N -1 0 321.341 -0.826 20 0 DBADRM CCCc1c(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001030604484 674911519 /nfs/dbraw/zinc/91/15/19/674911519.db2.gz GABGPRDEKACPOO-UHFFFAOYSA-N -1 0 319.369 -0.190 20 0 DBADRM O=C(NC1CN(CCc2ccccc2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030615633 674912692 /nfs/dbraw/zinc/91/26/92/674912692.db2.gz QJFMIDHBHORHQW-UHFFFAOYSA-N -1 0 315.333 -0.061 20 0 DBADRM O=C(NC1CN(Cc2ccns2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030616856 674913102 /nfs/dbraw/zinc/91/31/02/674913102.db2.gz MESUKPMQAGTXOY-UHFFFAOYSA-N -1 0 308.323 -0.647 20 0 DBADRM O=C(NC1CN(CC[C@@H]2CCCO2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030616657 674913158 /nfs/dbraw/zinc/91/31/58/674913158.db2.gz DLCWOVCUWWOFJL-VIFPVBQESA-N -1 0 309.326 -0.734 20 0 DBADRM Cc1nc(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)c(C)o1 ZINC001030617102 674913225 /nfs/dbraw/zinc/91/32/25/674913225.db2.gz XFUHPHHOPGRVGK-UHFFFAOYSA-N -1 0 320.309 -0.498 20 0 DBADRM O=C(NC1CN(Cc2nccs2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030617190 674913297 /nfs/dbraw/zinc/91/32/97/674913297.db2.gz YSIGHKXOAGFKOO-UHFFFAOYSA-N -1 0 308.323 -0.647 20 0 DBADRM O=C(NC1CN(Cc2ccccc2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030617179 674913363 /nfs/dbraw/zinc/91/33/63/674913363.db2.gz YOIHQLOQUMOINZ-UHFFFAOYSA-N -1 0 301.306 -0.103 20 0 DBADRM Cc1cc(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)sn1 ZINC001030616996 674913477 /nfs/dbraw/zinc/91/34/77/674913477.db2.gz RSSUVTBIHIOXKL-UHFFFAOYSA-N -1 0 322.350 -0.338 20 0 DBADRM CC(C)c1n[nH]cc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030595976 674909564 /nfs/dbraw/zinc/90/95/64/674909564.db2.gz FZMUKBBKJBITMK-UHFFFAOYSA-N -1 0 305.342 -0.029 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccn2ccnc2c1 ZINC001030669986 674920937 /nfs/dbraw/zinc/92/09/37/674920937.db2.gz AEVUYXJWPZMRNZ-UHFFFAOYSA-N -1 0 313.321 -0.228 20 0 DBADRM O=C(Cc1ccc(=O)[nH]c1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030691562 674926082 /nfs/dbraw/zinc/92/60/82/674926082.db2.gz DRKVAKHGIIAMDM-UHFFFAOYSA-N -1 0 304.310 -0.846 20 0 DBADRM CCc1cc(CC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001030713816 674930514 /nfs/dbraw/zinc/93/05/14/674930514.db2.gz OASMYCSVPPHOOF-UHFFFAOYSA-N -1 0 319.369 -0.651 20 0 DBADRM Cn1nccc1[C@@H]1C[C@H]1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030721572 674932109 /nfs/dbraw/zinc/93/21/09/674932109.db2.gz TWOWTKQQAWRSSL-NXEZZACHSA-N -1 0 317.353 -0.652 20 0 DBADRM C[C@H]1CC[C@@H](CN2CC(NC(=O)c3cnc([O-])n(C)c3=O)C2)O1 ZINC001030780469 674951790 /nfs/dbraw/zinc/95/17/90/674951790.db2.gz YVBVLZPNOPDLSU-ONGXEEELSA-N -1 0 322.365 -0.533 20 0 DBADRM C[C@H](CS(=O)(=O)NCCS(=O)(=O)CC1CC1)C(=O)[O-] ZINC000827563056 674968933 /nfs/dbraw/zinc/96/89/33/674968933.db2.gz IUEISCSRAYAHNQ-MRVPVSSYSA-N -1 0 313.397 -0.549 20 0 DBADRM COc1ccc(CC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)nc1 ZINC001030840918 674976496 /nfs/dbraw/zinc/97/64/96/674976496.db2.gz YYOQUZSUAPTCHA-UHFFFAOYSA-N -1 0 318.337 -0.543 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739839156 674980937 /nfs/dbraw/zinc/98/09/37/674980937.db2.gz WEATYBNXSYDEJX-JTQLQIEISA-N -1 0 322.383 -0.352 20 0 DBADRM NC(=O)C(=O)NC1CN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC001030882572 674988106 /nfs/dbraw/zinc/98/81/06/674988106.db2.gz CITHAQDGXDPNCP-UHFFFAOYSA-N -1 0 307.335 -0.817 20 0 DBADRM O=C(N[C@H]1CCN(Cc2nncs2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015119327 674990209 /nfs/dbraw/zinc/99/02/09/674990209.db2.gz LBHAAYPSBQFYKQ-LURJTMIESA-N -1 0 323.338 -0.861 20 0 DBADRM O=C(N[C@@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)c1nnc[nH]1 ZINC000992326184 674992325 /nfs/dbraw/zinc/99/23/25/674992325.db2.gz DXMNWBRVAHMILB-ISVAXAHUSA-N -1 0 318.341 -0.445 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC000913743200 675001858 /nfs/dbraw/zinc/00/18/58/675001858.db2.gz KNXOAYPMUGDURH-SNVBAGLBSA-N -1 0 310.383 -0.173 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)C1 ZINC000913779836 675003663 /nfs/dbraw/zinc/00/36/63/675003663.db2.gz JTPWRRCNABXOFC-MVKOHCKWSA-N -1 0 307.272 -0.223 20 0 DBADRM Cc1ccc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c(=O)[nH]1 ZINC001031013019 675024208 /nfs/dbraw/zinc/02/42/08/675024208.db2.gz UCRKMYPGHAUABH-UHFFFAOYSA-N -1 0 304.310 -0.466 20 0 DBADRM CN(C)c1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)ccn1 ZINC001031039625 675028495 /nfs/dbraw/zinc/02/84/95/675028495.db2.gz FXBXIBNZPXDCPK-UHFFFAOYSA-N -1 0 317.353 -0.415 20 0 DBADRM O=S(=O)(N[C@@H]1CCCCC12OCCO2)[C@@H]1COC[C@H]1O ZINC000914272783 675029711 /nfs/dbraw/zinc/02/97/11/675029711.db2.gz NYUSMSWWKNHIIP-GMTAPVOTSA-N -1 0 307.368 -0.649 20 0 DBADRM NC(=O)C[C@H]1CCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730541832 675039222 /nfs/dbraw/zinc/03/92/22/675039222.db2.gz YPHMZXOZLOGHPI-SECBINFHSA-N -1 0 318.337 -0.672 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730544452 675039308 /nfs/dbraw/zinc/03/93/08/675039308.db2.gz SEILQNMNUJMMCO-UHFFFAOYSA-N -1 0 320.353 -0.508 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730520705 675036340 /nfs/dbraw/zinc/03/63/40/675036340.db2.gz KXEJCPCLZYYKPG-JTQLQIEISA-N -1 0 318.337 -0.850 20 0 DBADRM CC(C)CN1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000730518370 675036343 /nfs/dbraw/zinc/03/63/43/675036343.db2.gz JMFPKUJDZGINKU-UHFFFAOYSA-N -1 0 318.381 -0.129 20 0 DBADRM CC(C)NC(=O)CN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730519133 675036448 /nfs/dbraw/zinc/03/64/48/675036448.db2.gz IJIBMFVBTBSHTE-UHFFFAOYSA-N -1 0 306.326 -0.946 20 0 DBADRM CCC[C@@](C)(NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)OC ZINC000730535904 675038565 /nfs/dbraw/zinc/03/85/65/675038565.db2.gz KNMNZADSJDFUQM-CQSZACIVSA-N -1 0 321.337 -0.081 20 0 DBADRM CCOC(=O)C(C)(C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730544100 675039704 /nfs/dbraw/zinc/03/97/04/675039704.db2.gz VBNPWUSXLFYQDI-UHFFFAOYSA-N -1 0 307.310 -0.471 20 0 DBADRM COC(=O)[C@H](C)CN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730586318 675040688 /nfs/dbraw/zinc/04/06/88/675040688.db2.gz FJKNBEVZVRCLPS-MRVPVSSYSA-N -1 0 307.310 -0.661 20 0 DBADRM CC[C@H](C)CN1CC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001031116372 675041000 /nfs/dbraw/zinc/04/10/00/675041000.db2.gz OCTYUEHXUWAUNC-JTQLQIEISA-N -1 0 318.381 -0.082 20 0 DBADRM CC(C)CCN1CC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001031116196 675041086 /nfs/dbraw/zinc/04/10/86/675041086.db2.gz FTWXYTCLVABMDG-UHFFFAOYSA-N -1 0 318.381 -0.082 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn2ccccc12 ZINC001031117527 675041531 /nfs/dbraw/zinc/04/15/31/675041531.db2.gz SZJPYWMJEUAEDN-UHFFFAOYSA-N -1 0 313.321 -0.228 20 0 DBADRM C[C@@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)NC(C)(C)C ZINC000730659092 675045781 /nfs/dbraw/zinc/04/57/81/675045781.db2.gz YGNVNQMXLWPLKD-MRVPVSSYSA-N -1 0 321.337 -0.082 20 0 DBADRM CC(C)[C@@H](C)NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730659208 675045799 /nfs/dbraw/zinc/04/57/99/675045799.db2.gz SCCYAJTZZSPDNZ-SECBINFHSA-N -1 0 321.337 -0.225 20 0 DBADRM CCn1ncc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1C ZINC001031136121 675046669 /nfs/dbraw/zinc/04/66/69/675046669.db2.gz JWHXPDMGKQWROU-UHFFFAOYSA-N -1 0 305.342 -0.351 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(NC(N)=O)c1 ZINC000731921126 677347537 /nfs/dbraw/zinc/34/75/37/677347537.db2.gz MNQOQXIHOLZUPT-UHFFFAOYSA-N -1 0 315.307 -0.590 20 0 DBADRM CCCC(=O)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982358066 670520730 /nfs/dbraw/zinc/52/07/30/670520730.db2.gz GCRIUWKUOUQOFN-QMMMGPOBSA-N -1 0 309.326 -0.339 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccnc(S(N)(=O)=O)c1 ZINC000653344764 670652096 /nfs/dbraw/zinc/65/20/96/670652096.db2.gz CGWFFGZEEFUFTQ-MRVPVSSYSA-N -1 0 301.324 -0.336 20 0 DBADRM Cc1nonc1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001028347867 670699964 /nfs/dbraw/zinc/69/99/64/670699964.db2.gz DYWURAQUWKUMMF-MRVPVSSYSA-N -1 0 307.314 -0.404 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCOC1 ZINC001028436483 670755505 /nfs/dbraw/zinc/75/55/05/670755505.db2.gz FPCIDLAHCVUYOS-MNOVXSKESA-N -1 0 309.370 -0.125 20 0 DBADRM Nc1nccnc1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028454974 670787246 /nfs/dbraw/zinc/78/72/46/670787246.db2.gz OMFWZMBLSRLDTI-QMMMGPOBSA-N -1 0 318.341 -0.866 20 0 DBADRM Cc1nn(C)cc1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028454055 670787627 /nfs/dbraw/zinc/78/76/27/670787627.db2.gz MKRHCVMPRHPTNW-JTQLQIEISA-N -1 0 319.369 -0.196 20 0 DBADRM CCn1nccc1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028503988 670819391 /nfs/dbraw/zinc/81/93/91/670819391.db2.gz RNRBEQVCGXYVQJ-JTQLQIEISA-N -1 0 319.369 -0.021 20 0 DBADRM Cn1oc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cc1=O ZINC001028508451 670822025 /nfs/dbraw/zinc/82/20/25/670822025.db2.gz RJYNGCMWCLCEEG-MRVPVSSYSA-N -1 0 322.325 -0.946 20 0 DBADRM O=C(Cn1ccccc1=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000726350574 670869701 /nfs/dbraw/zinc/86/97/01/670869701.db2.gz OOUHZRGILAZBRN-LLVKDONJSA-N -1 0 314.363 -0.137 20 0 DBADRM C[C@H](C(=O)[N-]S(C)(=O)=O)N1C(=O)NC2(CCCC2)C1=O ZINC000726729421 670873055 /nfs/dbraw/zinc/87/30/55/670873055.db2.gz WIKDDSBNPIVCJJ-SSDOTTSWSA-N -1 0 303.340 -0.685 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](CNC(=O)C2CCC2)C1 ZINC000983062326 670937105 /nfs/dbraw/zinc/93/71/05/670937105.db2.gz STVABPVTWQUSMR-VIFPVBQESA-N -1 0 323.353 -0.546 20 0 DBADRM CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983274002 671035252 /nfs/dbraw/zinc/03/52/52/671035252.db2.gz LMRIZEWXGZCRJQ-QMMMGPOBSA-N -1 0 323.353 -0.093 20 0 DBADRM CC(C)c1nn(C)cc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737655153 671071359 /nfs/dbraw/zinc/07/13/59/671071359.db2.gz BDOJFLQHKXRWIM-UHFFFAOYSA-N -1 0 308.338 -0.088 20 0 DBADRM Cc1c[nH]c(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001028857008 671072673 /nfs/dbraw/zinc/07/26/73/671072673.db2.gz SKHZRAWFEIWZQX-SECBINFHSA-N -1 0 305.342 -0.206 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccncn1 ZINC001028879380 671083260 /nfs/dbraw/zinc/08/32/60/671083260.db2.gz IGCFIFOVHVDNKO-VIFPVBQESA-N -1 0 303.326 -0.448 20 0 DBADRM CC(=O)N[C@H]1CCC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000983406263 671129752 /nfs/dbraw/zinc/12/97/52/671129752.db2.gz VWMJJWBJGHMPLW-UWVGGRQHSA-N -1 0 308.338 -0.337 20 0 DBADRM Cn1ccc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001028984885 671139398 /nfs/dbraw/zinc/13/93/98/671139398.db2.gz FWPJLRPRCAILKV-SECBINFHSA-N -1 0 305.342 -0.504 20 0 DBADRM OCCO[C@]1(CN=c2nn[n-]n2Cc2ccccc2)CCOC1 ZINC000894521367 671203882 /nfs/dbraw/zinc/20/38/82/671203882.db2.gz OEURVVFANBWDTP-HNNXBMFYSA-N -1 0 319.365 -0.277 20 0 DBADRM O=C(Cn1cccn1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029213003 671275764 /nfs/dbraw/zinc/27/57/64/671275764.db2.gz NQDCADCSEUWOOJ-PHIMTYICSA-N -1 0 317.353 -0.418 20 0 DBADRM O=C(c1ccon1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029225875 671278395 /nfs/dbraw/zinc/27/83/95/671278395.db2.gz KTMFMFXOXHYXDE-DTORHVGOSA-N -1 0 304.310 -0.013 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)Cc1cncn1C ZINC000909425991 671282800 /nfs/dbraw/zinc/28/28/00/671282800.db2.gz DXWTWUSVYZBJDH-LLVKDONJSA-N -1 0 322.365 -0.256 20 0 DBADRM CC(C)[C@@H](O)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000909426461 671284153 /nfs/dbraw/zinc/28/41/53/671284153.db2.gz GWBSGOUJFZIRHR-ZYHUDNBSSA-N -1 0 300.355 -0.215 20 0 DBADRM O=C(c1cocn1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029239339 671285173 /nfs/dbraw/zinc/28/51/73/671285173.db2.gz LIPMIXQLHDGRMU-DTORHVGOSA-N -1 0 304.310 -0.013 20 0 DBADRM Cc1ccn(CC(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000909433930 671288539 /nfs/dbraw/zinc/28/85/39/671288539.db2.gz TUHALNIPMBIQTG-GFCCVEGCSA-N -1 0 322.365 -0.027 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)CC(C)(C)O ZINC000909434897 671288922 /nfs/dbraw/zinc/28/89/22/671288922.db2.gz ZBYYVPHRUGMPEK-JTQLQIEISA-N -1 0 300.355 -0.071 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NC)o1 ZINC000049225244 671291713 /nfs/dbraw/zinc/29/17/13/671291713.db2.gz YVVRKZUNZUPZQG-SSDOTTSWSA-N -1 0 304.324 -0.131 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@@H](C)C(N)=O)c1[O-] ZINC001029272679 671293517 /nfs/dbraw/zinc/29/35/17/671293517.db2.gz AGOOFSFHCYYOJR-LPEHRKFASA-N -1 0 307.354 -0.414 20 0 DBADRM COC[C@@H]1CCN(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])C1 ZINC000262108929 671293526 /nfs/dbraw/zinc/29/35/26/671293526.db2.gz VOKLBYUGTVXEET-ZYHUDNBSSA-N -1 0 315.370 -0.014 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCCN(C(=O)CC(N)=O)C2)c1[O-] ZINC000983995460 671308793 /nfs/dbraw/zinc/30/87/93/671308793.db2.gz BVZYVYPGQUUCCB-SECBINFHSA-N -1 0 323.353 -0.638 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N(CC(=O)[O-])C(C)C ZINC000262145062 671318370 /nfs/dbraw/zinc/31/83/70/671318370.db2.gz MHRVHWOHHFTFJJ-UHFFFAOYSA-N -1 0 310.372 -0.736 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(C)=O)cc(=O)[nH]1 ZINC000984126409 671323100 /nfs/dbraw/zinc/32/31/00/671323100.db2.gz WXPBXEAEROIFPY-NXEZZACHSA-N -1 0 322.321 -0.756 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)CCn1cncn1 ZINC000262159633 671325093 /nfs/dbraw/zinc/32/50/93/671325093.db2.gz KIHPJERJYWSDQR-NSHDSACASA-N -1 0 323.353 -0.550 20 0 DBADRM CCC(=O)N(C)[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000984452983 671351028 /nfs/dbraw/zinc/35/10/28/671351028.db2.gz KVFYWYTXXIVCSG-JTQLQIEISA-N -1 0 322.365 -0.041 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000262235826 671356640 /nfs/dbraw/zinc/35/66/40/671356640.db2.gz PNRZTCHUMOLIRB-NSHDSACASA-N -1 0 313.354 -0.612 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCCCNC(=O)CC1 ZINC000895570004 671359800 /nfs/dbraw/zinc/35/98/00/671359800.db2.gz COPFZRMQUOEPML-UHFFFAOYSA-N -1 0 300.359 -0.244 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCOC2)cc1C(N)=O ZINC000727951581 671430911 /nfs/dbraw/zinc/43/09/11/671430911.db2.gz LIHBUQARRPRKAF-QMMMGPOBSA-N -1 0 315.351 -0.645 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)s2)cn1 ZINC000728147119 671443482 /nfs/dbraw/zinc/44/34/82/671443482.db2.gz AKYYIYLSUKWZOA-UHFFFAOYSA-N -1 0 314.348 -0.301 20 0 DBADRM COCCn1nc(C(=O)N[C@H](CC2CC2)C(=O)[O-])ccc1=O ZINC000262398116 671447401 /nfs/dbraw/zinc/44/74/01/671447401.db2.gz CBBWXFPSROWMKC-LLVKDONJSA-N -1 0 309.322 -0.127 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N(C)CCC(=O)[O-] ZINC000262402744 671447814 /nfs/dbraw/zinc/44/78/14/671447814.db2.gz AZZZAAUIMFQBPF-UHFFFAOYSA-N -1 0 310.372 -0.736 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)Nc3nn[nH]n3)cc2[n-]c1=S ZINC000728208752 671448423 /nfs/dbraw/zinc/44/84/23/671448423.db2.gz RDXZBRKMBQGRQZ-UHFFFAOYSA-N -1 0 303.307 -0.012 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)c3cc4n(n3)CCO4)C[C@H]1COCC2 ZINC000909564993 671448913 /nfs/dbraw/zinc/44/89/13/671448913.db2.gz NGDGQFYCIUBHFP-LKFCYVNXSA-N -1 0 307.306 -0.161 20 0 DBADRM C[C@@](O)(CNC(=O)CSCC(=O)N1CCCCC1)C(=O)[O-] ZINC000262447729 671455259 /nfs/dbraw/zinc/45/52/59/671455259.db2.gz VMHQAEGEQGDWEW-CYBMUJFWSA-N -1 0 318.395 -0.316 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C1CC1 ZINC000985185183 671454064 /nfs/dbraw/zinc/45/40/64/671454064.db2.gz AUYYUUHHBYDRCG-DTWKUNHWSA-N -1 0 321.337 -0.198 20 0 DBADRM CCS(=O)(=O)CC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000262430539 671454072 /nfs/dbraw/zinc/45/40/72/671454072.db2.gz ROZONYCKXJWXNL-JOYOIKCWSA-N -1 0 305.352 -0.629 20 0 DBADRM C[C@@H](C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC000262453620 671455874 /nfs/dbraw/zinc/45/58/74/671455874.db2.gz UXLIZRPRQFMNNL-HOTUBEGUSA-N -1 0 305.352 -0.631 20 0 DBADRM Cn1[n-]nnc1=N[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897224262 671460728 /nfs/dbraw/zinc/46/07/28/671460728.db2.gz LYWSXAUWZYAYQA-SSDOTTSWSA-N -1 0 324.142 -0.235 20 0 DBADRM C[C@@](O)(CNC(=O)CCN1C(=O)COc2ccccc21)C(=O)[O-] ZINC000262479229 671461018 /nfs/dbraw/zinc/46/10/18/671461018.db2.gz HTCVMJJAJUPZOC-OAHLLOKOSA-N -1 0 322.317 -0.246 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000262485242 671462055 /nfs/dbraw/zinc/46/20/55/671462055.db2.gz IMJVMJJPKFGUJI-LRDDRELGSA-N -1 0 320.345 -0.013 20 0 DBADRM Cn1c2ccccc2n(CCC(=O)NC[C@@](C)(O)C(=O)[O-])c1=O ZINC000262516128 671477772 /nfs/dbraw/zinc/47/77/72/671477772.db2.gz MXUDMZVNKHAIBI-OAHLLOKOSA-N -1 0 321.333 -0.318 20 0 DBADRM C[N@@H+](Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001029667201 671482264 /nfs/dbraw/zinc/48/22/64/671482264.db2.gz UIVJSQTWGNGRJS-QWRGUYRKSA-N -1 0 309.370 -0.173 20 0 DBADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000320658358 671497493 /nfs/dbraw/zinc/49/74/93/671497493.db2.gz HRWTXFJESIJCJS-TVLCNXBWSA-N -1 0 309.322 -0.312 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC000797283643 671497911 /nfs/dbraw/zinc/49/79/11/671497911.db2.gz KIRFLMQHGFPVTI-WPRPVWTQSA-N -1 0 320.367 -0.748 20 0 DBADRM CC(C)C[C@@H](CNC(=O)N1CCC[C@](O)(C(N)=O)C1)C(=O)[O-] ZINC000262558807 671502758 /nfs/dbraw/zinc/50/27/58/671502758.db2.gz UTVQVSKQCJTVAV-IINYFYTJSA-N -1 0 315.370 -0.245 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1cnns1)c1n[nH]c(=O)[n-]c1=O ZINC001038464437 671514651 /nfs/dbraw/zinc/51/46/51/671514651.db2.gz CORGPOYGFCUQBI-LURJTMIESA-N -1 0 323.338 -0.861 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)nn1 ZINC000320786693 671525903 /nfs/dbraw/zinc/52/59/03/671525903.db2.gz NHPNNDDNDANTLI-MRVPVSSYSA-N -1 0 319.321 -0.630 20 0 DBADRM Cc1cc(CN2CC[C@@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)on1 ZINC001038466641 671526170 /nfs/dbraw/zinc/52/61/70/671526170.db2.gz UWIVUCXKIQIKTQ-MRVPVSSYSA-N -1 0 320.309 -0.416 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)NC(C)(C)CCC(=O)[O-] ZINC000262674009 671539068 /nfs/dbraw/zinc/53/90/68/671539068.db2.gz XXBAOMASTJDQQE-UHFFFAOYSA-N -1 0 315.370 -0.222 20 0 DBADRM COCC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]2C1 ZINC000985959609 671546873 /nfs/dbraw/zinc/54/68/73/671546873.db2.gz RTDXYSCNHSFGQK-MNOVXSKESA-N -1 0 322.365 -0.009 20 0 DBADRM Cc1nonc1C(=O)N1CC[C@H](C[N@@H+](C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001029915791 671567145 /nfs/dbraw/zinc/56/71/45/671567145.db2.gz WKISCDAZXGUNRG-SECBINFHSA-N -1 0 321.341 -0.204 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NCc3cn(C)nn3)[C@H]2C)c1[O-] ZINC000986149897 671568166 /nfs/dbraw/zinc/56/81/66/671568166.db2.gz AOMGTXUIMUMTID-KOLCDFICSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)[C@H]2C)c1[O-] ZINC000986160702 671569328 /nfs/dbraw/zinc/56/93/28/671569328.db2.gz OVIGBOVIKHIGPZ-HTQZYQBOSA-N -1 0 321.341 -0.360 20 0 DBADRM C[C@@H]1[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CCN1C(=O)c1ncn(C)n1 ZINC000986250302 671578930 /nfs/dbraw/zinc/57/89/30/671578930.db2.gz IKVAUPNIAYLINF-SFYZADRCSA-N -1 0 306.330 -0.968 20 0 DBADRM CCCC(=O)N1CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000262911160 671599814 /nfs/dbraw/zinc/59/98/14/671599814.db2.gz JSVNWWNQCYXJTK-SNVBAGLBSA-N -1 0 322.383 -0.640 20 0 DBADRM CCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001013546449 671628783 /nfs/dbraw/zinc/62/87/83/671628783.db2.gz ARZIOOQESFNQDX-RKDXNWHRSA-N -1 0 308.338 -0.385 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCCC[C@H](NC(=O)C(N)=O)C2)c1[O-] ZINC000986991646 671633584 /nfs/dbraw/zinc/63/35/84/671633584.db2.gz KMWZMPPWUWOOEN-VIFPVBQESA-N -1 0 323.353 -0.590 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000729096490 671633959 /nfs/dbraw/zinc/63/39/59/671633959.db2.gz JWIBENFMFFAVII-UWVGGRQHSA-N -1 0 306.384 -0.084 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCCC2)C1 ZINC000729189251 671646402 /nfs/dbraw/zinc/64/64/02/671646402.db2.gz OSGUWFIORBTFQU-NSHDSACASA-N -1 0 303.384 -0.298 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263220742 671663131 /nfs/dbraw/zinc/66/31/31/671663131.db2.gz PACNLFLWOGIYID-ZJUUUORDSA-N -1 0 322.383 -0.231 20 0 DBADRM C[C@@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cc1ncc[nH]1 ZINC000987261633 671666482 /nfs/dbraw/zinc/66/64/82/671666482.db2.gz SIAVBAAALBMQLQ-NXEZZACHSA-N -1 0 319.369 -0.847 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2ccccc2O)CCN1C(=O)CC(N)=O ZINC000987367523 671677948 /nfs/dbraw/zinc/67/79/48/671677948.db2.gz MVNPDKFOLLNPQC-KOLCDFICSA-N -1 0 305.334 -0.013 20 0 DBADRM COc1cc(C(=O)[O-])ccc1CCNC(=O)Cn1cnnn1 ZINC000263308052 671678765 /nfs/dbraw/zinc/67/87/65/671678765.db2.gz FSNGRLUPVVQEBS-UHFFFAOYSA-N -1 0 305.294 -0.261 20 0 DBADRM CN1CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C1=O ZINC000872451895 671689385 /nfs/dbraw/zinc/68/93/85/671689385.db2.gz RPWRXOTZLZUXLD-DCXZOGHSSA-N -1 0 311.429 -0.052 20 0 DBADRM Cc1cc2c(cc1S(=O)(=O)NC[C@](C)(O)C(=O)[O-])OCO2 ZINC000263449664 671700892 /nfs/dbraw/zinc/70/08/92/671700892.db2.gz ACWMBTWYRNNLFR-LBPRGKRZSA-N -1 0 317.319 -0.162 20 0 DBADRM CC(=O)N(C)C[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000988115365 671749328 /nfs/dbraw/zinc/74/93/28/671749328.db2.gz DOXMNVZQHVIGSJ-JTQLQIEISA-N -1 0 323.353 -0.458 20 0 DBADRM CC(=O)N(C)C[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000988140170 671750373 /nfs/dbraw/zinc/75/03/73/671750373.db2.gz KIQMSZYLULDTIF-SNVBAGLBSA-N -1 0 318.337 -0.642 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCO3)C2)c1[O-] ZINC000937647455 671800466 /nfs/dbraw/zinc/80/04/66/671800466.db2.gz IHCUOCAPVNVJRX-UWVGGRQHSA-N -1 0 308.338 -0.067 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NCc3ncnn3C)C[C@H]2C)c1[O-] ZINC000988633227 671813858 /nfs/dbraw/zinc/81/38/58/671813858.db2.gz LLQLHRYZCSRVBJ-PSASIEDQSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3ccncn3)C2)c1[O-] ZINC000937833283 671840358 /nfs/dbraw/zinc/84/03/58/671840358.db2.gz BEPKHUQTFRNYNB-VIFPVBQESA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)c1[O-] ZINC000937834911 671840781 /nfs/dbraw/zinc/84/07/81/671840781.db2.gz GESOBJDANVSYTI-VIFPVBQESA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3ccn(C)n3)C2)c1[O-] ZINC000937834885 671840785 /nfs/dbraw/zinc/84/07/85/671840785.db2.gz FSAILXYJYBGGDV-VIFPVBQESA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)Cn3nccn3)C2)c1[O-] ZINC000938015147 671860738 /nfs/dbraw/zinc/86/07/38/671860738.db2.gz ROXHJZGZKJRNOY-VIFPVBQESA-N -1 0 319.325 -0.954 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC000989117103 671879453 /nfs/dbraw/zinc/87/94/53/671879453.db2.gz DZENXQOTLOQJQK-BGZDPUMWSA-N -1 0 321.337 -0.342 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000729902931 672496543 /nfs/dbraw/zinc/49/65/43/672496543.db2.gz YWIDSXSQGCFWTM-VIFPVBQESA-N -1 0 311.363 -0.065 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O ZINC000729916900 672497846 /nfs/dbraw/zinc/49/78/46/672497846.db2.gz XZHGGVYLNSVNMR-UHFFFAOYSA-N -1 0 305.356 -0.773 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000729915910 672498370 /nfs/dbraw/zinc/49/83/70/672498370.db2.gz NLYKCBRLOUUNDE-SECBINFHSA-N -1 0 306.388 -0.522 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCCC2)C1 ZINC000786934366 672505755 /nfs/dbraw/zinc/50/57/55/672505755.db2.gz RSIFUQDODOIBEK-ZJUUUORDSA-N -1 0 303.384 -0.265 20 0 DBADRM Cn1cncc1CC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000989483231 672555114 /nfs/dbraw/zinc/55/51/14/672555114.db2.gz PVCNLKTVITZBNZ-UHFFFAOYSA-N -1 0 319.369 -0.479 20 0 DBADRM Cc1nc[nH]c1CC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000989563310 672560736 /nfs/dbraw/zinc/56/07/36/672560736.db2.gz ULJZPVPMEFSBFQ-UHFFFAOYSA-N -1 0 319.369 -0.181 20 0 DBADRM O=C(NC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1)C1CCC1 ZINC000990032089 672633633 /nfs/dbraw/zinc/63/36/33/672633633.db2.gz SNWJUEAAQLAXJL-UHFFFAOYSA-N -1 0 315.333 -0.237 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)C3=COCCO3)C2)c1[O-] ZINC000990124806 672650472 /nfs/dbraw/zinc/65/04/72/672650472.db2.gz IOFJCIZTBSUNDZ-UHFFFAOYSA-N -1 0 308.294 -0.747 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000990129727 672651846 /nfs/dbraw/zinc/65/18/46/672651846.db2.gz QOCXULMQHZHXKP-CBAPKCEASA-N -1 0 321.337 -0.802 20 0 DBADRM O=C(C[C@@H]1C=CCC1)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000990183431 672669254 /nfs/dbraw/zinc/66/92/54/672669254.db2.gz UKXORSCXXQZYCO-SECBINFHSA-N -1 0 321.337 -0.627 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cnn(C)c3)C2)c1[O-] ZINC000990196530 672672115 /nfs/dbraw/zinc/67/21/15/672672115.db2.gz BKDTZHHFPRYLKE-UHFFFAOYSA-N -1 0 304.310 -0.588 20 0 DBADRM CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000945812314 678178514 /nfs/dbraw/zinc/17/85/14/678178514.db2.gz AHAPOZCJUPDCNQ-BDAKNGLRSA-N -1 0 307.310 -0.634 20 0 DBADRM O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1cc(=O)[nH][n-]1 ZINC000731871833 677346290 /nfs/dbraw/zinc/34/62/90/677346290.db2.gz SJPBHAQGVPEGRK-QMMMGPOBSA-N -1 0 321.289 -0.853 20 0 DBADRM CN(C)C(=O)COc1ccc(NC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000731868695 677346895 /nfs/dbraw/zinc/34/68/95/677346895.db2.gz PLROGWFMJCMIDW-UHFFFAOYSA-N -1 0 304.306 -0.032 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000731880374 677346958 /nfs/dbraw/zinc/34/69/58/677346958.db2.gz LSKRGPUQORJIOB-IUCAKERBSA-N -1 0 311.346 -0.673 20 0 DBADRM COC(=O)c1cc(CNC(=O)c2cc(=O)[nH][n-]2)ccc1OC ZINC000731868414 677346973 /nfs/dbraw/zinc/34/69/73/677346973.db2.gz YEEOMQIBKJEJCZ-UHFFFAOYSA-N -1 0 305.290 -0.026 20 0 DBADRM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(=O)[nH][n-]1 ZINC000731896814 677347026 /nfs/dbraw/zinc/34/70/26/677347026.db2.gz KFOCIXKNIMBXPF-UHFFFAOYSA-N -1 0 322.346 -0.640 20 0 DBADRM C[C@@H]1NC(C(=O)NCc2nnn[n-]2)=NN(c2ccccc2)C1=O ZINC000731887879 677347273 /nfs/dbraw/zinc/34/72/73/677347273.db2.gz PPXIXFUSZWBOEZ-QMMMGPOBSA-N -1 0 314.309 -0.846 20 0 DBADRM C[C@H](NC(=O)C1CCCC1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732090447 677350754 /nfs/dbraw/zinc/35/07/54/677350754.db2.gz WTVCYVYTTXSDKX-ONGXEEELSA-N -1 0 322.369 -0.206 20 0 DBADRM O=C(NC1CC1)C1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CCC1 ZINC000732089278 677350765 /nfs/dbraw/zinc/35/07/65/677350765.db2.gz DRIDPEUBPBYLGA-SNVBAGLBSA-N -1 0 320.353 -0.452 20 0 DBADRM CN(C)c1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cn1 ZINC000732090169 677350775 /nfs/dbraw/zinc/35/07/75/677350775.db2.gz OYNUUVOVEFAGIR-SNVBAGLBSA-N -1 0 303.326 -0.126 20 0 DBADRM O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732091588 677350831 /nfs/dbraw/zinc/35/08/31/677350831.db2.gz KAHKWSLNMCRCLG-SCZZXKLOSA-N -1 0 306.326 -0.890 20 0 DBADRM O=C(CC1CCCC1)NCC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732089112 677350843 /nfs/dbraw/zinc/35/08/43/677350843.db2.gz BNWRVKDRYXLCAU-NSHDSACASA-N -1 0 322.369 -0.204 20 0 DBADRM CN(C)c1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)ccn1 ZINC000732090439 677350873 /nfs/dbraw/zinc/35/08/73/677350873.db2.gz WKWCUVSPLMLCBY-JTQLQIEISA-N -1 0 303.326 -0.126 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CC1=O ZINC000732088728 677350934 /nfs/dbraw/zinc/35/09/34/677350934.db2.gz GFPJKICHHPYLMB-WDEREUQCSA-N -1 0 322.369 -0.396 20 0 DBADRM Cc1nnnn1C(=Cc1ccccc1)C(=O)NCc1nnn[n-]1 ZINC000732157979 677351607 /nfs/dbraw/zinc/35/16/07/677351607.db2.gz NRBXNIDFXHLUMQ-YRNVUSSQSA-N -1 0 311.309 -0.191 20 0 DBADRM O=C(CN1c2ccccc2OCCC1=O)NCc1nnn[n-]1 ZINC000732158267 677351768 /nfs/dbraw/zinc/35/17/68/677351768.db2.gz WLSOWIHOGPNCGE-UHFFFAOYSA-N -1 0 302.294 -0.368 20 0 DBADRM CS(=O)(=O)NCCNC(=O)c1n[n-]c2ccccc2c1=O ZINC000732266665 677352464 /nfs/dbraw/zinc/35/24/64/677352464.db2.gz JHHNOVCJTDKLIJ-UHFFFAOYSA-N -1 0 310.335 -0.386 20 0 DBADRM CNC(=O)COc1cccc(CNC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000732274287 677352992 /nfs/dbraw/zinc/35/29/92/677352992.db2.gz QRILOQFEAWTTPJ-UHFFFAOYSA-N -1 0 304.306 -0.697 20 0 DBADRM CN1C(=S)N=NC1C1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000732288943 677353431 /nfs/dbraw/zinc/35/34/31/677353431.db2.gz YQXKISQTUGFPNV-UHFFFAOYSA-N -1 0 308.367 -0.314 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc2c([nH]1)CCC2 ZINC001031241465 677360464 /nfs/dbraw/zinc/36/04/64/677360464.db2.gz OFRRNIRMSFDTBS-UHFFFAOYSA-N -1 0 302.338 -0.059 20 0 DBADRM CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000732498321 677361614 /nfs/dbraw/zinc/36/16/14/677361614.db2.gz WMZGVUZFPVOCQH-UHFFFAOYSA-N -1 0 305.400 -0.004 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC000732507652 677362050 /nfs/dbraw/zinc/36/20/50/677362050.db2.gz DNNIBRHZMGSHRW-NSHDSACASA-N -1 0 306.384 -0.273 20 0 DBADRM CC(C)CCS(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000732513500 677362068 /nfs/dbraw/zinc/36/20/68/677362068.db2.gz VLMVFXSOPDLWGP-UHFFFAOYSA-N -1 0 300.402 -0.630 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(CNC(N)=O)cc1 ZINC000732522985 677363940 /nfs/dbraw/zinc/36/39/40/677363940.db2.gz QZAGMOYOFZWXBR-UHFFFAOYSA-N -1 0 315.351 -0.439 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccco1 ZINC000732522726 677363947 /nfs/dbraw/zinc/36/39/47/677363947.db2.gz NTOQNRWQRGIVSP-UHFFFAOYSA-N -1 0 304.324 -0.508 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000732523006 677363951 /nfs/dbraw/zinc/36/39/51/677363951.db2.gz SAKFPUOGVCQDFQ-JTQLQIEISA-N -1 0 314.363 -0.103 20 0 DBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCOC)cn1 ZINC000732522980 677363999 /nfs/dbraw/zinc/36/39/99/677363999.db2.gz QRTAWEKHCHGPHL-UHFFFAOYSA-N -1 0 301.324 -0.853 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000732524031 677364101 /nfs/dbraw/zinc/36/41/01/677364101.db2.gz KQCGGZCJDBRSPJ-MRVPVSSYSA-N -1 0 320.392 -0.041 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)COc1ccc(C(N)=O)cc1 ZINC000732523665 677364124 /nfs/dbraw/zinc/36/41/24/677364124.db2.gz SURMQDCOCFEFTE-UHFFFAOYSA-N -1 0 316.335 -0.743 20 0 DBADRM CNC(=O)[C@@H](C)N1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001031251544 677364607 /nfs/dbraw/zinc/36/46/07/677364607.db2.gz OOKXATTZEDQFSE-SSDOTTSWSA-N -1 0 319.321 -0.523 20 0 DBADRM CCCNC(=O)CCCC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732767250 677370088 /nfs/dbraw/zinc/37/00/88/677370088.db2.gz XQXSEEYIIRPDNJ-JTQLQIEISA-N -1 0 310.358 -0.204 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993683932 677384755 /nfs/dbraw/zinc/38/47/55/677384755.db2.gz BRLIJKMWYDNXSO-IIEKFROSSA-N -1 0 321.381 -0.128 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3[nH]c(=O)[nH]c3C)C2)c1[O-] ZINC000994064174 677403805 /nfs/dbraw/zinc/40/38/05/677403805.db2.gz UKMJPZITYKBEAR-UHFFFAOYSA-N -1 0 320.309 -0.585 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@H]3CCCC(=O)N3)C2)c1[O-] ZINC000994106596 677406842 /nfs/dbraw/zinc/40/68/42/677406842.db2.gz LIJOINDBDRKFGQ-SECBINFHSA-N -1 0 321.337 -0.967 20 0 DBADRM C[C@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994202247 677410365 /nfs/dbraw/zinc/41/03/65/677410365.db2.gz JJAAYJUSPWMPSW-IUCAKERBSA-N -1 0 320.357 -0.660 20 0 DBADRM O=C(C[C@H]1CCCCC(=O)N1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031310586 677413350 /nfs/dbraw/zinc/41/33/50/677413350.db2.gz DRRMGWIJTHHIMQ-SECBINFHSA-N -1 0 322.369 -0.740 20 0 DBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)Cc2ccccc2)c1=O ZINC000153858928 677414774 /nfs/dbraw/zinc/41/47/74/677414774.db2.gz SEPUEBPWORMHOP-UHFFFAOYSA-N -1 0 310.335 -0.772 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(Cc2cncs2)C1 ZINC001031314863 677416570 /nfs/dbraw/zinc/41/65/70/677416570.db2.gz LPOYRXSWSQZHSU-UHFFFAOYSA-N -1 0 310.339 -0.854 20 0 DBADRM Cc1noc(C)c1CN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001031314897 677416662 /nfs/dbraw/zinc/41/66/62/677416662.db2.gz OAHBILIWBXJLCW-UHFFFAOYSA-N -1 0 322.325 -0.705 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(CC[C@H]2CCCO2)C1 ZINC001031315189 677416779 /nfs/dbraw/zinc/41/67/79/677416779.db2.gz YEWAEHKSGQQYQS-SNVBAGLBSA-N -1 0 311.342 -0.941 20 0 DBADRM CCOc1ncccc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031335490 677424479 /nfs/dbraw/zinc/42/44/79/677424479.db2.gz PFVUFKRJCBOHQL-UHFFFAOYSA-N -1 0 318.337 -0.082 20 0 DBADRM CCc1noc(C)c1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031379657 677438506 /nfs/dbraw/zinc/43/85/06/677438506.db2.gz APGOPZHAYLBROO-UHFFFAOYSA-N -1 0 306.326 -0.017 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCc2c[nH]nc2C1 ZINC001031420789 677446451 /nfs/dbraw/zinc/44/64/51/677446451.db2.gz SNGDIFVGALZUAS-MRVPVSSYSA-N -1 0 317.353 -0.661 20 0 DBADRM O=C(CNC(=O)c1ccc(F)c(F)c1)NN1CC(=O)NC1=O ZINC000918279976 677454443 /nfs/dbraw/zinc/45/44/43/677454443.db2.gz QEVJTRCKLGFTGB-UHFFFAOYSA-N -1 0 312.232 -0.722 20 0 DBADRM CCOc1cnc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001031487870 677457104 /nfs/dbraw/zinc/45/71/04/677457104.db2.gz URVANNHJSYCOAK-UHFFFAOYSA-N -1 0 319.325 -0.687 20 0 DBADRM Cc1ncncc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031560519 677469448 /nfs/dbraw/zinc/46/94/48/677469448.db2.gz MWWMJHWUDXFBHY-UHFFFAOYSA-N -1 0 303.326 -0.529 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN([C@H](C)c3nncn3C)C2)c1[O-] ZINC001031615701 677480618 /nfs/dbraw/zinc/48/06/18/677480618.db2.gz DRRUKAAALARAIK-SECBINFHSA-N -1 0 319.369 -0.025 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(CC(=O)N3CCCC3)C2)c1[O-] ZINC001031616744 677480868 /nfs/dbraw/zinc/48/08/68/677480868.db2.gz KQXIZCCOMZJMKZ-UHFFFAOYSA-N -1 0 321.381 -0.292 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@@H]3CO[C@@H](C)C3)C2)c1[O-] ZINC000994626400 677482681 /nfs/dbraw/zinc/48/26/81/677482681.db2.gz NNQOCZSCLZRLCQ-CBAPKCEASA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1ccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766929029 677484598 /nfs/dbraw/zinc/48/45/98/677484598.db2.gz JTMUCYQDUSMSSJ-VIFPVBQESA-N -1 0 300.336 -0.306 20 0 DBADRM C[C@H]1OCCC[C@@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031638021 677488742 /nfs/dbraw/zinc/48/87/42/677488742.db2.gz REWXOLVBVDJSJA-KOLCDFICSA-N -1 0 309.370 -0.127 20 0 DBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)cc1 ZINC000920100955 677490306 /nfs/dbraw/zinc/49/03/06/677490306.db2.gz RVCRRKQTBSBBHL-UHFFFAOYSA-N -1 0 321.376 -0.065 20 0 DBADRM COc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)sn1 ZINC001031678943 677497766 /nfs/dbraw/zinc/49/77/66/677497766.db2.gz ZYECOMNIAVQVEA-UHFFFAOYSA-N -1 0 324.366 -0.163 20 0 DBADRM CC(=O)N1CC(n2cc(CNC(=O)c3[nH]nc(C)c3[O-])nn2)C1 ZINC000994698458 677498787 /nfs/dbraw/zinc/49/87/87/677498787.db2.gz CJPLZQKOCDBXNC-UHFFFAOYSA-N -1 0 319.325 -0.652 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC(=O)N(C)C1CCCCC1 ZINC000921315143 677501561 /nfs/dbraw/zinc/50/15/61/677501561.db2.gz WAFFSFKTUIBFNS-UHFFFAOYSA-N -1 0 300.359 -0.246 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000921379919 677503329 /nfs/dbraw/zinc/50/33/29/677503329.db2.gz VZLDUABBUJEPRK-QWRGUYRKSA-N -1 0 309.384 -0.090 20 0 DBADRM Cc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)c(C)nn1 ZINC001031699570 677506427 /nfs/dbraw/zinc/50/64/27/677506427.db2.gz LFSYIWJESYFXBE-UHFFFAOYSA-N -1 0 317.353 -0.221 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000994760355 677511702 /nfs/dbraw/zinc/51/17/02/677511702.db2.gz VIJQRTSDRVYPIG-UFBFGSQYSA-N -1 0 324.337 -0.832 20 0 DBADRM C[C@H](C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000938349415 677516059 /nfs/dbraw/zinc/51/60/59/677516059.db2.gz IUWURUBEBJHGKJ-CBAPKCEASA-N -1 0 321.337 -0.340 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938348524 677516081 /nfs/dbraw/zinc/51/60/81/677516081.db2.gz BVSBNOGDYYFXPD-HRDYMLBCSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2cc[nH]c2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000938350360 677516269 /nfs/dbraw/zinc/51/62/69/677516269.db2.gz TWFSPFIIVSIXCF-QMMMGPOBSA-N -1 0 318.293 -0.745 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938388423 677520147 /nfs/dbraw/zinc/52/01/47/677520147.db2.gz SNAHJIUMNCTZPV-KXUCPTDWSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cccnn3)C2)c1[O-] ZINC000938512705 677532673 /nfs/dbraw/zinc/53/26/73/677532673.db2.gz GIVAWXZDYNJAEX-VIFPVBQESA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)Cc3ncc[nH]3)C2)c1[O-] ZINC000938529660 677534371 /nfs/dbraw/zinc/53/43/71/677534371.db2.gz VRHJJXZBUXUPPV-VIFPVBQESA-N -1 0 318.337 -0.280 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCN(C(=O)C2(C)CC2)C1 ZINC000938650672 677546709 /nfs/dbraw/zinc/54/67/09/677546709.db2.gz ITEFVCSFZOKCPC-MRVPVSSYSA-N -1 0 321.337 -0.244 20 0 DBADRM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000948174899 677560808 /nfs/dbraw/zinc/56/08/08/677560808.db2.gz AZCOWJGGNDGFPY-ZJUUUORDSA-N -1 0 311.342 -0.548 20 0 DBADRM CC[C@H]1CN(C(C)=O)CC[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000948174896 677560873 /nfs/dbraw/zinc/56/08/73/677560873.db2.gz AZCOWJGGNDGFPY-VHSXEESVSA-N -1 0 311.342 -0.548 20 0 DBADRM CN(C(=O)C1(C)CC1)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938983536 677566367 /nfs/dbraw/zinc/56/63/67/677566367.db2.gz GTXXDLXQONUTFH-SECBINFHSA-N -1 0 323.353 -0.451 20 0 DBADRM CN(C(=O)C1CC1)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938987626 677566743 /nfs/dbraw/zinc/56/67/43/677566743.db2.gz NKYUJXVOLAKJHZ-SECBINFHSA-N -1 0 309.326 -0.841 20 0 DBADRM CCC(=O)N(C)[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938995914 677568410 /nfs/dbraw/zinc/56/84/10/677568410.db2.gz AUKBFYWIHHTYHF-VIFPVBQESA-N -1 0 308.338 -0.431 20 0 DBADRM CCC(=O)N[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000939002285 677568645 /nfs/dbraw/zinc/56/86/45/677568645.db2.gz JXAZNKALCQDUKA-SECBINFHSA-N -1 0 303.322 -0.237 20 0 DBADRM O=C(NCC1CN(Cc2cscn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001031815755 677597300 /nfs/dbraw/zinc/59/73/00/677597300.db2.gz IBGJFTRJVVDTEY-UHFFFAOYSA-N -1 0 322.350 -0.399 20 0 DBADRM O=C(NCC1CN(CCC(F)(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC001031815703 677597707 /nfs/dbraw/zinc/59/77/07/677597707.db2.gz GIAXKQPRIGTVEA-UHFFFAOYSA-N -1 0 321.259 -0.103 20 0 DBADRM Cc1conc1CN1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001031815879 677599493 /nfs/dbraw/zinc/59/94/93/677599493.db2.gz NZNNHWPYBNSSHG-UHFFFAOYSA-N -1 0 320.309 -0.559 20 0 DBADRM Cc1ncoc1CN1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001031816062 677599765 /nfs/dbraw/zinc/59/97/65/677599765.db2.gz VVNZPNLEEDSFHV-UHFFFAOYSA-N -1 0 320.309 -0.559 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)c1[O-] ZINC000939504175 677610975 /nfs/dbraw/zinc/61/09/75/677610975.db2.gz CSCQSFISODPGOK-NXEZZACHSA-N -1 0 324.337 -0.830 20 0 DBADRM COc1ccc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001031829339 677614298 /nfs/dbraw/zinc/61/42/98/677614298.db2.gz PBYRMWGGNQEHBF-UHFFFAOYSA-N -1 0 318.337 -0.224 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cnns3)C2)c1[O-] ZINC000939575100 677615829 /nfs/dbraw/zinc/61/58/29/677615829.db2.gz SQVRTFGHIHCWKX-SSDOTTSWSA-N -1 0 322.350 -0.080 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)Cc3ccon3)C2)c1[O-] ZINC000939789691 677631432 /nfs/dbraw/zinc/63/14/32/677631432.db2.gz ZRFROVYQHMAUCV-SNVBAGLBSA-N -1 0 319.321 -0.015 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000939917129 677639228 /nfs/dbraw/zinc/63/92/28/677639228.db2.gz ZQKWYWKVFNSWOZ-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000939915625 677639232 /nfs/dbraw/zinc/63/92/32/677639232.db2.gz IFBPMPLTNSXWHO-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000939917128 677639424 /nfs/dbraw/zinc/63/94/24/677639424.db2.gz ZQKWYWKVFNSWOZ-IONNQARKSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001031865537 677644035 /nfs/dbraw/zinc/64/40/35/677644035.db2.gz WYSDNPKMDZFQGN-YPMHNXCESA-N -1 0 321.381 -0.127 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnn(C)n3)C2)c1[O-] ZINC000940041921 677645332 /nfs/dbraw/zinc/64/53/32/677645332.db2.gz HTQWAGBUEHZCDM-MRVPVSSYSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)c1[O-] ZINC000940038490 677645805 /nfs/dbraw/zinc/64/58/05/677645805.db2.gz CSUTWBTYTFBKPU-SNVBAGLBSA-N -1 0 318.337 -0.280 20 0 DBADRM CC1(C)C[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000940056983 677646193 /nfs/dbraw/zinc/64/61/93/677646193.db2.gz UQVHMQJUDYPGEY-BDAKNGLRSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cncnc3)C2)c1[O-] ZINC000940118724 677649488 /nfs/dbraw/zinc/64/94/88/677649488.db2.gz BIJRZHCWPVJCLS-SNVBAGLBSA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3ncn(C)n3)C2)c1[O-] ZINC000940273763 677657841 /nfs/dbraw/zinc/65/78/41/677657841.db2.gz BYYVISPMZCKFBV-MRVPVSSYSA-N -1 0 319.325 -0.803 20 0 DBADRM COc1ccnc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001031893313 677669183 /nfs/dbraw/zinc/66/91/83/677669183.db2.gz QDOYTJSQOKQISF-UHFFFAOYSA-N -1 0 318.337 -0.224 20 0 DBADRM CC[C@H](F)CN1CC(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001031895107 677670399 /nfs/dbraw/zinc/67/03/99/677670399.db2.gz NDEMNHUSQSLTSS-JTQLQIEISA-N -1 0 312.345 -0.104 20 0 DBADRM C/C=C(/C)C(=O)N1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000940701447 677709323 /nfs/dbraw/zinc/70/93/23/677709323.db2.gz KMFBTSFTORDVBK-OQFOIZHKSA-N -1 0 321.337 -0.077 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000940859802 677722140 /nfs/dbraw/zinc/72/21/40/677722140.db2.gz VTBXEKKVBDUPJO-SECBINFHSA-N -1 0 320.357 -0.341 20 0 DBADRM Cc1c(C(=O)[N-]NC(=O)CO)nnn1-c1cccc(Cl)c1 ZINC000182746558 677736593 /nfs/dbraw/zinc/73/65/93/677736593.db2.gz AXZNIPTVCZTBHP-UHFFFAOYSA-N -1 0 309.713 -0.018 20 0 DBADRM CC1(C(=O)N2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)CC1 ZINC000941294698 677775322 /nfs/dbraw/zinc/77/53/22/677775322.db2.gz YKWUCFKBCRNZLI-UHFFFAOYSA-N -1 0 321.337 -0.243 20 0 DBADRM C/C=C(/C)C(=O)N1CCN(C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000941365955 677791921 /nfs/dbraw/zinc/79/19/21/677791921.db2.gz KCVIAVBDOSQBSU-JYOAFUTRSA-N -1 0 320.397 -0.195 20 0 DBADRM CCc1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)no1 ZINC000941446509 677805646 /nfs/dbraw/zinc/80/56/46/677805646.db2.gz VUUNYGVGQIIADT-MRVPVSSYSA-N -1 0 304.310 0.000 20 0 DBADRM COc1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)nn1C ZINC000941446528 677805668 /nfs/dbraw/zinc/80/56/68/677805668.db2.gz WMXZDMUAVWDIAP-MRVPVSSYSA-N -1 0 319.325 -0.809 20 0 DBADRM COCC(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1 ZINC000941542820 677822629 /nfs/dbraw/zinc/82/26/29/677822629.db2.gz OFXVLANVGIWLHL-RKDXNWHRSA-N -1 0 312.326 -0.974 20 0 DBADRM CC1(CC(=O)N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000941788403 677847929 /nfs/dbraw/zinc/84/79/29/677847929.db2.gz CJBSZRLACVBQOK-MRVPVSSYSA-N -1 0 321.337 -0.196 20 0 DBADRM CC(C)CC(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941791718 677851851 /nfs/dbraw/zinc/85/18/51/677851851.db2.gz CPDTXTGEACTGDG-MRVPVSSYSA-N -1 0 309.326 -0.340 20 0 DBADRM O=C(CC1CC1)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941791817 677851870 /nfs/dbraw/zinc/85/18/70/677851870.db2.gz FHINXQKHIGLXML-MRVPVSSYSA-N -1 0 307.310 -0.586 20 0 DBADRM O=C(/C=C/C1CC1)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941791726 677852104 /nfs/dbraw/zinc/85/21/04/677852104.db2.gz CURYZHWRQQTCCH-CDAZIORVSA-N -1 0 319.321 -0.420 20 0 DBADRM O=C(Cc1ccc(=O)[nH]c1)N1CC(NC(=O)c2cn[nH]n2)C1 ZINC000995177732 677853577 /nfs/dbraw/zinc/85/35/77/677853577.db2.gz CNAGCAWJRIHZRP-UHFFFAOYSA-N -1 0 302.294 -0.911 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cn[nH]c1 ZINC000941849399 677856815 /nfs/dbraw/zinc/85/68/15/677856815.db2.gz FBNQXYIZGJXPEQ-SCZZXKLOSA-N -1 0 305.342 -0.126 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c1[O-] ZINC000941883561 677858180 /nfs/dbraw/zinc/85/81/80/677858180.db2.gz RAOCKTQKSSCURL-BDAKNGLRSA-N -1 0 321.337 -0.967 20 0 DBADRM CC(F)(F)C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000941934303 677862841 /nfs/dbraw/zinc/86/28/41/677862841.db2.gz QSERZKNKTFBRNH-ZCFIWIBFSA-N -1 0 319.268 -0.938 20 0 DBADRM Cc1nc(C)c(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001031984860 677870357 /nfs/dbraw/zinc/87/03/57/677870357.db2.gz CFDKRHIWMGWALL-UHFFFAOYSA-N -1 0 305.342 -0.288 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cn(C)nn1 ZINC000942021101 677876382 /nfs/dbraw/zinc/87/63/82/677876382.db2.gz QQRDWSVAVHXAQV-DTWKUNHWSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1ncc[nH]1 ZINC000942029670 677877158 /nfs/dbraw/zinc/87/71/58/677877158.db2.gz PCFNNIUYOCUYKU-RKDXNWHRSA-N -1 0 305.342 -0.126 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1ncc[nH]1 ZINC000942029667 677877267 /nfs/dbraw/zinc/87/72/67/677877267.db2.gz PCFNNIUYOCUYKU-BDAKNGLRSA-N -1 0 305.342 -0.126 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)Cn1nccn1 ZINC000942085889 677882285 /nfs/dbraw/zinc/88/22/85/677882285.db2.gz FEGRTTCQYHWZTK-VHSXEESVSA-N -1 0 320.357 -0.871 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000942565615 677945543 /nfs/dbraw/zinc/94/55/43/677945543.db2.gz OGQGAANGSBUEPK-IIEKFROSSA-N -1 0 321.381 -0.271 20 0 DBADRM Cc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)nc(C)n1 ZINC001032050011 677963299 /nfs/dbraw/zinc/96/32/99/677963299.db2.gz GDHUTWNKXJBAFT-UHFFFAOYSA-N -1 0 317.353 -0.221 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)Cc1c[nH]cn1 ZINC000943174407 677982099 /nfs/dbraw/zinc/98/20/99/677982099.db2.gz CPRIHMVJTQIAKU-MWLCHTKSSA-N -1 0 319.369 -0.197 20 0 DBADRM CCc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001032071044 677985601 /nfs/dbraw/zinc/98/56/01/677985601.db2.gz LMMXRFOLRCGALS-UHFFFAOYSA-N -1 0 319.369 -0.332 20 0 DBADRM O=C(NC1CCN(C(=O)C2CCC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC000943277180 677987738 /nfs/dbraw/zinc/98/77/38/677987738.db2.gz MKGLQBXWKKYAJQ-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM CCC(=O)N1CCCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000943397690 677992837 /nfs/dbraw/zinc/99/28/37/677992837.db2.gz YXZXJSIHGHFGFC-MRVPVSSYSA-N -1 0 309.326 -0.196 20 0 DBADRM CC(C)n1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001032079289 677994141 /nfs/dbraw/zinc/99/41/41/677994141.db2.gz CXIDOKIHORZKHA-UHFFFAOYSA-N -1 0 320.357 -0.456 20 0 DBADRM CC(=O)N1CC[C@@]2(CNC(=O)c3n[nH]c(=O)[n-]c3=O)CCC[C@@H]12 ZINC000995358563 678003538 /nfs/dbraw/zinc/00/35/38/678003538.db2.gz SOHVWAZWFBFUJZ-YMTOWFKASA-N -1 0 321.337 -0.196 20 0 DBADRM Cc1cc(=O)c(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)c[nH]1 ZINC001032100249 678011214 /nfs/dbraw/zinc/01/12/14/678011214.db2.gz KNGPYVWNIPHIDR-UHFFFAOYSA-N -1 0 318.337 -0.631 20 0 DBADRM O=C(NC[C@H]1CCCN1C(=O)C(F)F)c1n[nH]c(=O)[n-]c1=O ZINC000943803979 678020535 /nfs/dbraw/zinc/02/05/35/678020535.db2.gz QISIMQKAOSWNCF-RXMQYKEDSA-N -1 0 317.252 -0.731 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@]12CCOC2 ZINC001032112330 678023092 /nfs/dbraw/zinc/02/30/92/678023092.db2.gz ATYIJJKUHUSFFK-HZMBPMFUSA-N -1 0 307.354 -0.515 20 0 DBADRM COc1cccnc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032152302 678045508 /nfs/dbraw/zinc/04/55/08/678045508.db2.gz OAHVPZMAIVHPAX-UHFFFAOYSA-N -1 0 318.337 -0.224 20 0 DBADRM CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc([O-])n(C)c1=O ZINC000995555113 678113759 /nfs/dbraw/zinc/11/37/59/678113759.db2.gz IVTZRVPOUOCCCT-MIMYLULJSA-N -1 0 320.349 -0.242 20 0 DBADRM Cn1nnnc1COC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000733409569 678129207 /nfs/dbraw/zinc/12/92/07/678129207.db2.gz NHKQLCGCYZDIJD-UHFFFAOYSA-N -1 0 311.323 -0.061 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@@H]1NC(=O)C1CC1 ZINC000945431516 678154997 /nfs/dbraw/zinc/15/49/97/678154997.db2.gz NGAJNUXQSUPPOW-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@H]1NC(=O)C1CC1 ZINC000945431517 678155125 /nfs/dbraw/zinc/15/51/25/678155125.db2.gz NGAJNUXQSUPPOW-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM CCC(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC000945433605 678155430 /nfs/dbraw/zinc/15/54/30/678155430.db2.gz FWQUSDKHWNRPBL-MWLCHTKSSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(C)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000945433219 678155480 /nfs/dbraw/zinc/15/54/80/678155480.db2.gz VJOJXTFJNPSVLM-BDAKNGLRSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000945433225 678155501 /nfs/dbraw/zinc/15/55/01/678155501.db2.gz VJOJXTFJNPSVLM-RKDXNWHRSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(=O)N[C@H](C)[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000945658460 678169193 /nfs/dbraw/zinc/16/91/93/678169193.db2.gz XNBOUIAXUVZEKS-APPZFPTMSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000945694130 678171513 /nfs/dbraw/zinc/17/15/13/678171513.db2.gz GHBXBJPPEQBVOS-CABZTGNLSA-N -1 0 322.365 -0.137 20 0 DBADRM Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)cn1 ZINC001032272338 678173055 /nfs/dbraw/zinc/17/30/55/678173055.db2.gz TXZALLZQNDJLII-UWVGGRQHSA-N -1 0 303.326 -0.657 20 0 DBADRM CC(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000945789913 678174904 /nfs/dbraw/zinc/17/49/04/678174904.db2.gz SHWVEPZCIWAGRT-VXNVDRBHSA-N -1 0 309.326 -0.340 20 0 DBADRM CCC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000945816198 678179804 /nfs/dbraw/zinc/17/98/04/678179804.db2.gz RMXGNRVKTKLUQZ-DTWKUNHWSA-N -1 0 321.337 -0.244 20 0 DBADRM CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000945822427 678179925 /nfs/dbraw/zinc/17/99/25/678179925.db2.gz RMOAOWPAZFMQMF-ZJUUUORDSA-N -1 0 309.326 -0.841 20 0 DBADRM O=C(C[C@H]1CCCO1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032293903 678220904 /nfs/dbraw/zinc/22/09/04/678220904.db2.gz HNLULKPMMDDYHU-GARJFASQSA-N -1 0 307.354 -0.136 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CCSCC(=O)OC ZINC000733715016 678253656 /nfs/dbraw/zinc/25/36/56/678253656.db2.gz NUKXIELQJFMVIZ-QMMMGPOBSA-N -1 0 313.397 -0.236 20 0 DBADRM CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CCOC ZINC000733698926 678254034 /nfs/dbraw/zinc/25/40/34/678254034.db2.gz CCRMZEIQTHIWLV-JTQLQIEISA-N -1 0 306.384 -0.130 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O ZINC000733716643 678254555 /nfs/dbraw/zinc/25/45/55/678254555.db2.gz DPWCFUPDMWEDPX-MRVPVSSYSA-N -1 0 301.386 -0.708 20 0 DBADRM O=C(CCNC(=O)c1ccco1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733720789 678255623 /nfs/dbraw/zinc/25/56/23/678255623.db2.gz WAKSPMXCAMITGS-VIFPVBQESA-N -1 0 316.335 -0.366 20 0 DBADRM CC(C)C(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733720059 678255628 /nfs/dbraw/zinc/25/56/28/678255628.db2.gz BSBPOKIVHCQDIT-QWRGUYRKSA-N -1 0 318.395 -0.132 20 0 DBADRM CCC(CC)S(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000733712468 678255715 /nfs/dbraw/zinc/25/57/15/678255715.db2.gz AMDGFTCASZBWGE-UHFFFAOYSA-N -1 0 317.367 -0.818 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000733719246 678255936 /nfs/dbraw/zinc/25/59/36/678255936.db2.gz YGFHWICYMYCVAS-DTWKUNHWSA-N -1 0 304.368 -0.522 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733721672 678256162 /nfs/dbraw/zinc/25/61/62/678256162.db2.gz CLECRRRAUJJGIE-HBNTYKKESA-N -1 0 307.368 -0.195 20 0 DBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)c1 ZINC000733861856 678263958 /nfs/dbraw/zinc/26/39/58/678263958.db2.gz HSGLUDUROBAGEI-UHFFFAOYSA-N -1 0 324.318 -0.692 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000734088997 678274978 /nfs/dbraw/zinc/27/49/78/678274978.db2.gz HPJVSHRZRQSJON-VIFPVBQESA-N -1 0 320.367 -0.746 20 0 DBADRM Cc1nn(C)cc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032320100 678287150 /nfs/dbraw/zinc/28/71/50/678287150.db2.gz WGGDYDMKVIYBMD-UWVGGRQHSA-N -1 0 317.353 -0.349 20 0 DBADRM O=C(NC1CN(C(=O)C2CCCCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996738388 678288276 /nfs/dbraw/zinc/28/82/76/678288276.db2.gz LLXINYHRODVGOK-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@@H](C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000996743318 678290787 /nfs/dbraw/zinc/29/07/87/678290787.db2.gz GMMSIOGDCJMRTA-ZCFIWIBFSA-N -1 0 307.310 -0.731 20 0 DBADRM CC1(C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CCC1 ZINC000996745326 678290907 /nfs/dbraw/zinc/29/09/07/678290907.db2.gz NDBJQQKNYYSPGJ-UHFFFAOYSA-N -1 0 307.310 -0.586 20 0 DBADRM C[C@H](C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C(C)(C)C ZINC000996744264 678290945 /nfs/dbraw/zinc/29/09/45/678290945.db2.gz JOOAWXMEWCFLKY-SSDOTTSWSA-N -1 0 323.353 -0.094 20 0 DBADRM CC1(C)CC[C@@H]1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996743537 678290953 /nfs/dbraw/zinc/29/09/53/678290953.db2.gz HPLVTCFRYVYTEX-MRVPVSSYSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996746899 678291779 /nfs/dbraw/zinc/29/17/79/678291779.db2.gz WFNJQXAEWQEUCM-RQJHMYQMSA-N -1 0 307.310 -0.731 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1nc(C2CC2)no1 ZINC000734879790 678304993 /nfs/dbraw/zinc/30/49/93/678304993.db2.gz XXIVZFGWEOHUBO-UHFFFAOYSA-N -1 0 301.266 -0.030 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C)ccn1 ZINC000755686106 678323359 /nfs/dbraw/zinc/32/33/59/678323359.db2.gz HNQXFOQRQBKZCC-LLVKDONJSA-N -1 0 313.379 -0.084 20 0 DBADRM CCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735405121 678326240 /nfs/dbraw/zinc/32/62/40/678326240.db2.gz FKRWVVYQHPRCJP-UHFFFAOYSA-N -1 0 312.347 -0.186 20 0 DBADRM O=C(c1cc[nH]c(=O)c1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032349986 678334639 /nfs/dbraw/zinc/33/46/39/678334639.db2.gz GFLYYHUXGOEAGE-UWVGGRQHSA-N -1 0 316.321 -0.290 20 0 DBADRM O=C([C@H]1CCCCO1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032356703 678341921 /nfs/dbraw/zinc/34/19/21/678341921.db2.gz VXXIZOMDBPJXPA-GARJFASQSA-N -1 0 307.354 -0.136 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nncn2C)c1[O-] ZINC001032356001 678342116 /nfs/dbraw/zinc/34/21/16/678342116.db2.gz LGCADXQDPZIDNZ-UWVGGRQHSA-N -1 0 317.353 -0.349 20 0 DBADRM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001032363359 678350788 /nfs/dbraw/zinc/35/07/88/678350788.db2.gz IGDZGTHHDYLBMY-UTLUCORTSA-N -1 0 318.341 -0.852 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000736243038 678381353 /nfs/dbraw/zinc/38/13/53/678381353.db2.gz RBQRDVSLMKVDTP-JTQLQIEISA-N -1 0 306.384 -0.668 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000888322788 678397027 /nfs/dbraw/zinc/39/70/27/678397027.db2.gz MOSKNPMLOZITBO-MXWKQRLJSA-N -1 0 311.390 -0.266 20 0 DBADRM Cc1cn(C)nc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032399428 678397074 /nfs/dbraw/zinc/39/70/74/678397074.db2.gz SCEVACDDTMQHPX-UWVGGRQHSA-N -1 0 317.353 -0.349 20 0 DBADRM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000736540045 678403572 /nfs/dbraw/zinc/40/35/72/678403572.db2.gz DCYAGERYQYTBNQ-JLLWLGSASA-N -1 0 322.365 -0.266 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000736661221 678415612 /nfs/dbraw/zinc/41/56/12/678415612.db2.gz TUTSISQLFPWSDH-LURJTMIESA-N -1 0 307.266 -0.218 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997257545 678422952 /nfs/dbraw/zinc/42/29/52/678422952.db2.gz FIGXLLSANJNJOJ-VXNVDRBHSA-N -1 0 309.326 -0.938 20 0 DBADRM C[C@]1(C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)C=CCC1 ZINC000997257574 678423288 /nfs/dbraw/zinc/42/32/88/678423288.db2.gz FTIQMKHLIWYZQL-AWEZNQCLSA-N -1 0 321.337 -0.627 20 0 DBADRM CC1(C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CCC1 ZINC000997257626 678423369 /nfs/dbraw/zinc/42/33/69/678423369.db2.gz HDSBXYXXRJDTKO-UHFFFAOYSA-N -1 0 309.326 -0.794 20 0 DBADRM C[C@H](CC(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000997259197 678423441 /nfs/dbraw/zinc/42/34/41/678423441.db2.gz BHBZGQGBVSADDT-MRVPVSSYSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)[C@H](C)C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997257639 678423616 /nfs/dbraw/zinc/42/36/16/678423616.db2.gz HJXSYPWYLNTIBG-QMMMGPOBSA-N -1 0 311.342 -0.692 20 0 DBADRM Cc1n[nH]cc1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000997282577 678425431 /nfs/dbraw/zinc/42/54/31/678425431.db2.gz VLGFARGWVFTIHE-UHFFFAOYSA-N -1 0 304.310 -0.290 20 0 DBADRM C[C@@H](C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1)C1CC1 ZINC000997362648 678435657 /nfs/dbraw/zinc/43/56/57/678435657.db2.gz WRKRUGDDBAIOLM-MRVPVSSYSA-N -1 0 320.349 -0.527 20 0 DBADRM CC[C@@H]1CN(C(=O)N=c2nn[n-]n2CC)C[C@H](C)[S@]1=O ZINC000888327203 678437001 /nfs/dbraw/zinc/43/70/01/678437001.db2.gz UQFJGACYTOUDLR-PKPDKRHSSA-N -1 0 300.388 -0.122 20 0 DBADRM CCN(CC)C(=O)N1CCN(C(=O)N=c2nn[n-]n2CC)CC1 ZINC000888334162 678464993 /nfs/dbraw/zinc/46/49/93/678464993.db2.gz FYOJJRBUUUFBHV-UHFFFAOYSA-N -1 0 324.389 -0.274 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000888339781 678465922 /nfs/dbraw/zinc/46/59/22/678465922.db2.gz OIVKJEMMPLSUQY-NSHDSACASA-N -1 0 309.374 -0.557 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC1CCN(CC(F)F)CC1 ZINC000888339644 678466067 /nfs/dbraw/zinc/46/60/67/678466067.db2.gz JXNTXCGGNYQLMJ-UHFFFAOYSA-N -1 0 303.317 -0.034 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000888338702 678466114 /nfs/dbraw/zinc/46/61/14/678466114.db2.gz ZJQQALKVJDKRHH-UHFFFAOYSA-N -1 0 319.373 -0.802 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000888344803 678467629 /nfs/dbraw/zinc/46/76/29/678467629.db2.gz JRCMCJLEYPRRLQ-UHFFFAOYSA-N -1 0 316.369 -0.140 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H](C)CO3)C2)c1[O-] ZINC000997494991 678469969 /nfs/dbraw/zinc/46/99/69/678469969.db2.gz MJSOXXIIHQYPPO-XCBNKYQSSA-N -1 0 308.338 -0.211 20 0 DBADRM CN(C)c1ccnc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1 ZINC000736778647 678477430 /nfs/dbraw/zinc/47/74/30/678477430.db2.gz JASVJHJJROJCHM-NSHDSACASA-N -1 0 303.326 -0.126 20 0 DBADRM CCn1cnc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001016005535 678480830 /nfs/dbraw/zinc/48/08/30/678480830.db2.gz UXANBQJBTITHLF-SECBINFHSA-N -1 0 305.342 -0.269 20 0 DBADRM CCn1cnc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001016005536 678480974 /nfs/dbraw/zinc/48/09/74/678480974.db2.gz UXANBQJBTITHLF-VIFPVBQESA-N -1 0 305.342 -0.269 20 0 DBADRM O=C(CCc1ccon1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032520377 678489815 /nfs/dbraw/zinc/48/98/15/678489815.db2.gz MTLIEETUIYEMQN-QWRGUYRKSA-N -1 0 318.337 -0.084 20 0 DBADRM O=C(N[C@H]1CCC[C@H]1CNC(=O)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC000946262920 678491871 /nfs/dbraw/zinc/49/18/71/678491871.db2.gz KLDKBOAKUBMMIH-IUCAKERBSA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(N[C@@H]1CCC[C@@H]1CNC(=O)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC000946262921 678492043 /nfs/dbraw/zinc/49/20/43/678492043.db2.gz KLDKBOAKUBMMIH-RKDXNWHRSA-N -1 0 321.337 -0.293 20 0 DBADRM CC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000946265401 678492760 /nfs/dbraw/zinc/49/27/60/678492760.db2.gz DQUXCIGNJKYVGW-MWLCHTKSSA-N -1 0 308.338 -0.480 20 0 DBADRM COc1nc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)co1 ZINC001032542118 678503312 /nfs/dbraw/zinc/50/33/12/678503312.db2.gz KWTFVHAFIFLUNY-YUMQZZPRSA-N -1 0 320.309 -0.394 20 0 DBADRM CC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000946326253 678509713 /nfs/dbraw/zinc/50/97/13/678509713.db2.gz BRUFWNLJNZRJGF-PWSUYJOCSA-N -1 0 322.365 -0.089 20 0 DBADRM CC(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000946346787 678515281 /nfs/dbraw/zinc/51/52/81/678515281.db2.gz YCWVMUYUNGGJQT-IUCAKERBSA-N -1 0 309.326 -0.293 20 0 DBADRM CCOc1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)on1 ZINC001038525070 678529586 /nfs/dbraw/zinc/52/95/86/678529586.db2.gz KXTCXBPRSQJMQV-QMMMGPOBSA-N -1 0 322.325 -0.099 20 0 DBADRM CC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000946414054 678531620 /nfs/dbraw/zinc/53/16/20/678531620.db2.gz WZBRFQJQYIGVFB-IUCAKERBSA-N -1 0 309.326 -0.293 20 0 DBADRM CC1(C)CC[C@@H]1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997975778 678544659 /nfs/dbraw/zinc/54/46/59/678544659.db2.gz PYXMHBGXMPKAQU-SECBINFHSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000998819037 678649707 /nfs/dbraw/zinc/64/97/07/678649707.db2.gz SVMQULPHEKVSEN-DTWKUNHWSA-N -1 0 321.337 -0.485 20 0 DBADRM CC(C)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000998819039 678649833 /nfs/dbraw/zinc/64/98/33/678649833.db2.gz SVMQULPHEKVSEN-IUCAKERBSA-N -1 0 321.337 -0.485 20 0 DBADRM CC(C)[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000998838365 678650955 /nfs/dbraw/zinc/65/09/55/678650955.db2.gz SJBTWCKRXGLXDI-VHSXEESVSA-N -1 0 323.353 -0.692 20 0 DBADRM CC(C)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000998838362 678651030 /nfs/dbraw/zinc/65/10/30/678651030.db2.gz SJBTWCKRXGLXDI-UWVGGRQHSA-N -1 0 323.353 -0.692 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](NCc3nnnn3C)C2)c1[O-] ZINC000998952115 678658410 /nfs/dbraw/zinc/65/84/10/678658410.db2.gz GULIRFXMSVTMCD-SECBINFHSA-N -1 0 320.357 -0.658 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000999093733 678672632 /nfs/dbraw/zinc/67/26/32/678672632.db2.gz MRFXKICZJRRCPB-HTQZYQBOSA-N -1 0 309.326 -0.938 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@]3(C)CCC(=O)N3)C2)c1[O-] ZINC000999146017 678677239 /nfs/dbraw/zinc/67/72/39/678677239.db2.gz VDWUZZWHRORQOB-AWEZNQCLSA-N -1 0 321.337 -0.967 20 0 DBADRM CCn1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)n1 ZINC001032664004 678687833 /nfs/dbraw/zinc/68/78/33/678687833.db2.gz NCIPLCPTFYRLKR-UWVGGRQHSA-N -1 0 317.353 -0.174 20 0 DBADRM CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001032689228 678694193 /nfs/dbraw/zinc/69/41/93/678694193.db2.gz UELKAERXDVYVQV-UWVGGRQHSA-N -1 0 302.338 -0.624 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@H](NCc2ccon2)C1 ZINC000999605666 678725336 /nfs/dbraw/zinc/72/53/36/678725336.db2.gz AKYWXLRZLWYUBC-VIFPVBQESA-N -1 0 320.309 -0.335 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1COc2cc(OC)ccc2C1 ZINC000921739044 678827118 /nfs/dbraw/zinc/82/71/18/678827118.db2.gz WGASILDCJYLYPH-JTQLQIEISA-N -1 0 309.322 -0.025 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)[C@@H]1CC12CC2 ZINC001000494713 678847216 /nfs/dbraw/zinc/84/72/16/678847216.db2.gz HSMGSFODXQSJBU-ZETCQYMHSA-N -1 0 305.294 -0.977 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2CCCN(C(=O)c3cccnn3)C2)nc1=O ZINC001000517205 678849501 /nfs/dbraw/zinc/84/95/01/678849501.db2.gz OZTFEJOCZBLTSN-JTQLQIEISA-N -1 0 317.353 -0.707 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001000776027 678872886 /nfs/dbraw/zinc/87/28/86/678872886.db2.gz UEGOZQFGJQSKAI-POYBYMJQSA-N -1 0 307.310 -0.873 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001000784089 678873546 /nfs/dbraw/zinc/87/35/46/678873546.db2.gz QQNXCKXJNYUHHR-PSASIEDQSA-N -1 0 320.349 -0.670 20 0 DBADRM Cn1nccc1C(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001001255175 678922358 /nfs/dbraw/zinc/92/23/58/678922358.db2.gz UINZDXVKILMNGV-UHFFFAOYSA-N -1 0 319.369 -0.114 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(CNC(=O)C2CC=CC2)C1 ZINC001001273182 678923245 /nfs/dbraw/zinc/92/32/45/678923245.db2.gz XBILNAYGZWWZIL-UHFFFAOYSA-N -1 0 321.337 -0.770 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ncc[nH]1 ZINC001001391138 678930740 /nfs/dbraw/zinc/93/07/40/678930740.db2.gz DUZDOHGHCVTZET-UHFFFAOYSA-N -1 0 305.342 -0.125 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@]12C[C@H]1COC2 ZINC001001429497 678932495 /nfs/dbraw/zinc/93/24/95/678932495.db2.gz WCWYKYKRZAUSGU-NHYWBVRUSA-N -1 0 321.381 -0.125 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3ncccn3)C2)c1[O-] ZINC001001458069 678933235 /nfs/dbraw/zinc/93/32/35/678933235.db2.gz ILJWZSNSWIWIEL-UHFFFAOYSA-N -1 0 316.321 -0.284 20 0 DBADRM Cc1nc(C(=O)N2CC(CNC(=O)c3[nH]nc(C)c3[O-])C2)c[nH]1 ZINC001001456784 678933316 /nfs/dbraw/zinc/93/33/16/678933316.db2.gz VDEXSPVKSPDAOU-UHFFFAOYSA-N -1 0 318.337 -0.043 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3ccnnc3)C2)c1[O-] ZINC001001463093 678933879 /nfs/dbraw/zinc/93/38/79/678933879.db2.gz NCUMLIVAYKELPT-UHFFFAOYSA-N -1 0 316.321 -0.284 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)[C@@H]3COCCO3)C2)c1[O-] ZINC001001452329 678936107 /nfs/dbraw/zinc/93/61/07/678936107.db2.gz DMNQLVCFZYDTRW-JTQLQIEISA-N -1 0 324.337 -0.973 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3n[nH]nc3C)C2)c1[O-] ZINC001001451220 678936328 /nfs/dbraw/zinc/93/63/28/678936328.db2.gz IKOAJWOMJRMYEE-UHFFFAOYSA-N -1 0 319.325 -0.648 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cn[nH]n1 ZINC001001583935 678942820 /nfs/dbraw/zinc/94/28/20/678942820.db2.gz ZVLJDISKWVJXGI-UHFFFAOYSA-N -1 0 306.330 -0.730 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3cnnn3C)C2)c1[O-] ZINC001001653075 678945211 /nfs/dbraw/zinc/94/52/11/678945211.db2.gz ARPDODVIFNJPJC-UHFFFAOYSA-N -1 0 319.325 -0.946 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3cn(C)nn3)C2)c1[O-] ZINC001001714608 678950221 /nfs/dbraw/zinc/95/02/21/678950221.db2.gz GTDJCFBFNFEKNP-UHFFFAOYSA-N -1 0 319.325 -0.946 20 0 DBADRM O=C(NCC1CN(C(=O)C2CC2)C1)c1c[n-]n2c1nccc2=O ZINC001001962434 678962788 /nfs/dbraw/zinc/96/27/88/678962788.db2.gz CYNBRUHCTVRBSW-UHFFFAOYSA-N -1 0 315.333 -0.379 20 0 DBADRM CC(=O)N1CC[C@]2(CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000953017349 678963320 /nfs/dbraw/zinc/96/33/20/678963320.db2.gz HXMNEVYAHGLCCN-ZDUSSCGKSA-N -1 0 307.310 -0.633 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCNC(=O)C1 ZINC001002555167 678988954 /nfs/dbraw/zinc/98/89/54/678988954.db2.gz DRBGUHQDTMGYKT-VIFPVBQESA-N -1 0 322.369 -0.883 20 0 DBADRM COc1cc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)on1 ZINC001002643670 678993463 /nfs/dbraw/zinc/99/34/63/678993463.db2.gz WJQAABGDKKWFTJ-UHFFFAOYSA-N -1 0 322.325 -0.099 20 0 DBADRM O=C(Cc1cncnc1)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002707557 678996809 /nfs/dbraw/zinc/99/68/09/678996809.db2.gz UTKKJAHRNPYSNX-UHFFFAOYSA-N -1 0 317.353 -0.376 20 0 DBADRM Cc1nnc(CC(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)[nH]1 ZINC001002775455 679000948 /nfs/dbraw/zinc/00/09/48/679000948.db2.gz PWOOBGMQUOHNQF-UHFFFAOYSA-N -1 0 320.357 -0.740 20 0 DBADRM Cn1ccc(CC(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001002783627 679001516 /nfs/dbraw/zinc/00/15/16/679001516.db2.gz CVMIXNRLQKFOJK-UHFFFAOYSA-N -1 0 319.369 -0.433 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)NCC(=O)[N-]OC)C12CCOCC2 ZINC000922022257 679005009 /nfs/dbraw/zinc/00/50/09/679005009.db2.gz JHEOPPXSPQMRGM-GHMZBOCLSA-N -1 0 315.370 -0.063 20 0 DBADRM O=C(CC1CCC1)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003394162 679037378 /nfs/dbraw/zinc/03/73/78/679037378.db2.gz VWCJCSGRMHAUFY-UHFFFAOYSA-N -1 0 321.337 -0.339 20 0 DBADRM CC(C)(F)C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003393569 679037422 /nfs/dbraw/zinc/03/74/22/679037422.db2.gz MVDFZNGNJOZIOE-UHFFFAOYSA-N -1 0 313.289 -0.781 20 0 DBADRM O=C(NCC1CN(C(=O)c2cc[nH]c2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001003390483 679037483 /nfs/dbraw/zinc/03/74/83/679037483.db2.gz AMCAIZTWDAWFCO-UHFFFAOYSA-N -1 0 318.293 -0.887 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1csnn1 ZINC001003388479 679037581 /nfs/dbraw/zinc/03/75/81/679037581.db2.gz AFFFWEOIBRWVLK-UHFFFAOYSA-N -1 0 309.355 -0.244 20 0 DBADRM Cc1nn[nH]c1C(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001003532135 679046785 /nfs/dbraw/zinc/04/67/85/679046785.db2.gz OUVIWBRWBQMLBD-UHFFFAOYSA-N -1 0 319.325 -0.648 20 0 DBADRM O=C(Cc1c[nH]cn1)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003701545 679058799 /nfs/dbraw/zinc/05/87/99/679058799.db2.gz RNHKFMZKSWZWDY-UHFFFAOYSA-N -1 0 305.342 -0.443 20 0 DBADRM CN(C(=O)c1cnns1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032937058 679082744 /nfs/dbraw/zinc/08/27/44/679082744.db2.gz AZGTWKWRQQVVDP-SSDOTTSWSA-N -1 0 309.355 -0.292 20 0 DBADRM CN(C(=O)Cc1ccon1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032969434 679090030 /nfs/dbraw/zinc/09/00/30/679090030.db2.gz HKCRLFRTTJDAKJ-JTQLQIEISA-N -1 0 306.326 -0.226 20 0 DBADRM CN(C(=O)[C@@H]1CCNC(=O)C1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032998886 679095741 /nfs/dbraw/zinc/09/57/41/679095741.db2.gz HCJIBCBJDIJYSV-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1cc(CC(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001033000705 679096760 /nfs/dbraw/zinc/09/67/60/679096760.db2.gz ZYJHGZFKTMZLAI-LLVKDONJSA-N -1 0 319.369 -0.183 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(Cc3nnn(C)n3)C2)c1[O-] ZINC001033008705 679097852 /nfs/dbraw/zinc/09/78/52/679097852.db2.gz IGBCTRQRLSQWMW-SECBINFHSA-N -1 0 320.357 -0.706 20 0 DBADRM CC[C@H](C(N)=O)N1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001033017296 679098950 /nfs/dbraw/zinc/09/89/50/679098950.db2.gz UYVNVINNLDZNLH-VHSXEESVSA-N -1 0 309.370 -0.166 20 0 DBADRM CN(C(=O)c1cnn(C)c1N)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033025659 679103031 /nfs/dbraw/zinc/10/30/31/679103031.db2.gz OSEGNQXBRIGFCJ-MRVPVSSYSA-N -1 0 320.357 -0.828 20 0 DBADRM CN(C(=O)C1=CCOCC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033029511 679105142 /nfs/dbraw/zinc/10/51/42/679105142.db2.gz PLVBMOCVEZJXGA-LLVKDONJSA-N -1 0 307.354 -0.110 20 0 DBADRM CN(C(=O)c1cc(=O)n(C)o1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033041911 679107563 /nfs/dbraw/zinc/10/75/63/679107563.db2.gz PRHCOOHEYVMGNQ-QMMMGPOBSA-N -1 0 322.325 -0.852 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCn1cc(Br)cn1 ZINC000922459915 679111091 /nfs/dbraw/zinc/11/10/91/679111091.db2.gz ZXRTUBVZXVTSLO-UHFFFAOYSA-N -1 0 320.147 -0.378 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C=C1CCC1 ZINC001295585883 805573371 /nfs/dbraw/zinc/57/33/71/805573371.db2.gz DULHCVYURKJHFX-QMMMGPOBSA-N -1 0 309.326 -0.580 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@@]2(C)CCNC2=O)c1[O-] ZINC001295653520 805580837 /nfs/dbraw/zinc/58/08/37/805580837.db2.gz ORXDSIKCUGADCC-WJWGPLDTSA-N -1 0 323.353 -0.816 20 0 DBADRM CCn1ncc(C(=O)COC(=O)c2cc(=O)[n-]c(OC)n2)n1 ZINC000842091727 805581594 /nfs/dbraw/zinc/58/15/94/805581594.db2.gz FAPZRGKFDKOWIG-UHFFFAOYSA-N -1 0 307.266 -0.158 20 0 DBADRM NC(=O)CO[N-]C(=O)Cn1cc(C=O)c(-c2ccccc2)n1 ZINC001295745335 805589585 /nfs/dbraw/zinc/58/95/85/805589585.db2.gz LIZBEEWZHHSQAG-UHFFFAOYSA-N -1 0 302.290 -0.104 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)COC)CC1=O ZINC000842310684 805589875 /nfs/dbraw/zinc/58/98/75/805589875.db2.gz LLZOUXYLRNSCDE-VHSXEESVSA-N -1 0 306.384 -0.274 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)CC1=O ZINC000842343807 805590459 /nfs/dbraw/zinc/59/04/59/805590459.db2.gz UFUSUMYQGVRIFP-MRVPVSSYSA-N -1 0 300.340 -0.527 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(C)=O ZINC000842355305 805591040 /nfs/dbraw/zinc/59/10/40/805591040.db2.gz HQQWZUONONGXRJ-JTQLQIEISA-N -1 0 322.383 -0.454 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](N(C)C(=O)CC(N)=O)C2)c1[O-] ZINC001295783864 805591291 /nfs/dbraw/zinc/59/12/91/805591291.db2.gz NMYUQXNYSLSVAW-VIFPVBQESA-N -1 0 323.353 -0.638 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000842548254 805593260 /nfs/dbraw/zinc/59/32/60/805593260.db2.gz NCFIXUNWYJIXDF-JTQLQIEISA-N -1 0 314.363 -0.057 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cn(C3CCC3)nn2)cn1 ZINC000842677152 805595728 /nfs/dbraw/zinc/59/57/28/805595728.db2.gz BYQQAVVCHKCDPI-UHFFFAOYSA-N -1 0 310.339 -0.145 20 0 DBADRM C[C@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C=C1CCC1 ZINC001295893691 805596986 /nfs/dbraw/zinc/59/69/86/805596986.db2.gz CKEVYNIRUCZNQE-SECBINFHSA-N -1 0 323.353 -0.189 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C2(OC)CC2)CC1 ZINC000842698032 805597483 /nfs/dbraw/zinc/59/74/83/805597483.db2.gz VQKFLJIFDIMKFL-UHFFFAOYSA-N -1 0 320.367 -0.589 20 0 DBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)N3CCOCC3)(C1)C2 ZINC000842723685 805598333 /nfs/dbraw/zinc/59/83/33/805598333.db2.gz XQAXNHLAROBYEP-UHFFFAOYSA-N -1 0 318.351 -0.977 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@@H]1CCc2ncncc2C1 ZINC000842716455 805598423 /nfs/dbraw/zinc/59/84/23/805598423.db2.gz OWJUSEFPOAOWBM-KOLCDFICSA-N -1 0 311.363 -0.184 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(OC)ccn1 ZINC000842735180 805598544 /nfs/dbraw/zinc/59/85/44/805598544.db2.gz LCQYBWWLEZINOS-UHFFFAOYSA-N -1 0 303.340 -0.357 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)Cn1nnnc1-c1ccsc1 ZINC000842715361 805598622 /nfs/dbraw/zinc/59/86/22/805598622.db2.gz DFBGZDVQZQLWIM-UHFFFAOYSA-N -1 0 301.353 -0.133 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cn(C2CCC2)nn1 ZINC000842750197 805599403 /nfs/dbraw/zinc/59/94/03/805599403.db2.gz XDNUJIHDUUGOCV-UHFFFAOYSA-N -1 0 316.339 -0.374 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C2CCC2)nn1 ZINC000842755885 805599564 /nfs/dbraw/zinc/59/95/64/805599564.db2.gz JENULVNPVBYTLH-SSDOTTSWSA-N -1 0 316.339 -0.376 20 0 DBADRM C[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3cnnn3C)c2C1 ZINC000842770120 805600011 /nfs/dbraw/zinc/60/00/11/805600011.db2.gz JOIUREDTPUHWKN-MRVPVSSYSA-N -1 0 324.366 -0.287 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C12CC(C(=O)OC)(C1)C2 ZINC000842757682 805600325 /nfs/dbraw/zinc/60/03/25/805600325.db2.gz ZNHSUVZWISLJMC-JOYHGCSISA-N -1 0 319.335 -0.663 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)Cc1nc(C2CC2)nn1C ZINC000842773426 805601437 /nfs/dbraw/zinc/60/14/37/805601437.db2.gz FNRVGWQAHDAQTF-QMMMGPOBSA-N -1 0 316.383 -0.284 20 0 DBADRM O=C([N-]N1C(=O)c2ccccc2C1=O)c1cnn(CCO)c1 ZINC001296101779 805609500 /nfs/dbraw/zinc/60/95/00/805609500.db2.gz MGNWALJOSMJJBA-UHFFFAOYSA-N -1 0 300.274 -0.184 20 0 DBADRM CC(C)(C)[S@](=O)CCNC(=O)C(=O)NCCCC(=O)[O-] ZINC000843257018 805613049 /nfs/dbraw/zinc/61/30/49/805613049.db2.gz JUXAECUGJNOWKG-HXUWFJFHSA-N -1 0 306.384 -0.369 20 0 DBADRM CC(C)(C)[S@@](=O)CCNC(=O)C(=O)NCCCC(=O)[O-] ZINC000843257011 805613648 /nfs/dbraw/zinc/61/36/48/805613648.db2.gz JUXAECUGJNOWKG-FQEVSTJZSA-N -1 0 306.384 -0.369 20 0 DBADRM O=C([O-])COCC(=O)NCCNC(=O)NC1CCCCC1 ZINC000843331276 805618170 /nfs/dbraw/zinc/61/81/70/805618170.db2.gz LWDCCSHFCGJODH-UHFFFAOYSA-N -1 0 301.343 -0.164 20 0 DBADRM C[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C(=O)[O-] ZINC000843335934 805618245 /nfs/dbraw/zinc/61/82/45/805618245.db2.gz RTRZOIWUVDZLFF-IUCAKERBSA-N -1 0 309.322 -0.733 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000843339225 805619581 /nfs/dbraw/zinc/61/95/81/805619581.db2.gz YLLONICPYMFVCJ-VHSXEESVSA-N -1 0 312.351 -0.417 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC000843879149 805638176 /nfs/dbraw/zinc/63/81/76/805638176.db2.gz UTQRQZZHPUULNN-WCBMZHEXSA-N -1 0 306.326 -0.317 20 0 DBADRM CO[C@@]1(C(=O)NCCc2n[n-]c(=S)o2)CCS(=O)(=O)C1 ZINC001296733437 805648379 /nfs/dbraw/zinc/64/83/79/805648379.db2.gz DYHVMLYOTHQQAR-JTQLQIEISA-N -1 0 321.380 -0.779 20 0 DBADRM O=C(COC(=O)CN1C(=O)CCC1=O)[N-]OCc1ccccc1 ZINC000844173382 805651876 /nfs/dbraw/zinc/65/18/76/805651876.db2.gz XXAUAGBMNAJAIF-UHFFFAOYSA-N -1 0 320.301 -0.073 20 0 DBADRM CC(C)N1C(=S)N=NC1CCNC(=O)COCC(=O)[O-] ZINC000844248952 805654958 /nfs/dbraw/zinc/65/49/58/805654958.db2.gz GHYJCGQTVNSTHJ-UHFFFAOYSA-N -1 0 302.356 -0.092 20 0 DBADRM O=C([O-])COCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000844248026 805655067 /nfs/dbraw/zinc/65/50/67/805655067.db2.gz ABVXRRDMEFVYPN-NSHDSACASA-N -1 0 314.338 -0.815 20 0 DBADRM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)COCC(=O)[O-] ZINC000844245583 805655112 /nfs/dbraw/zinc/65/51/12/805655112.db2.gz LZTGAEFMNOKPST-GFCCVEGCSA-N -1 0 308.334 -0.097 20 0 DBADRM Cc1nsc(N2CCCN(C(=O)COCC(=O)[O-])CC2)n1 ZINC000844245442 805655254 /nfs/dbraw/zinc/65/52/54/805655254.db2.gz KIXDHDOYQRVFTR-UHFFFAOYSA-N -1 0 314.367 -0.014 20 0 DBADRM CCOC(=O)[C@H](NC(=O)COCC(=O)[O-])[C@@H]1CCCOC1 ZINC000844255619 805656564 /nfs/dbraw/zinc/65/65/64/805656564.db2.gz WYBKUSYTCYJTJS-BXKDBHETSA-N -1 0 303.311 -0.438 20 0 DBADRM CC(C)(C)OC(=O)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000844340469 805660254 /nfs/dbraw/zinc/66/02/54/805660254.db2.gz FWJCGGVEQNFBHQ-UHFFFAOYSA-N -1 0 311.342 -0.504 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000844535782 805663020 /nfs/dbraw/zinc/66/30/20/805663020.db2.gz TWTMZHVOQJZKNV-UHFFFAOYSA-N -1 0 316.339 -0.477 20 0 DBADRM CCO[N-]C(=O)CNC(=S)NCCCN1CCOCC1 ZINC000844590596 805664251 /nfs/dbraw/zinc/66/42/51/805664251.db2.gz SBLKBQSBMZWFKJ-UHFFFAOYSA-N -1 0 304.416 -0.760 20 0 DBADRM CNC(=O)c1ccc(CS(=O)(=O)NC[C@@H](F)C(=O)[O-])cc1 ZINC000844798035 805671664 /nfs/dbraw/zinc/67/16/64/805671664.db2.gz DVZOTPDIYNNGKY-SNVBAGLBSA-N -1 0 318.326 -0.112 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CCC(OCC(=O)[O-])CC1 ZINC000844793691 805671697 /nfs/dbraw/zinc/67/16/97/805671697.db2.gz QUFOWKXXTUZXGK-UHFFFAOYSA-N -1 0 319.339 -0.180 20 0 DBADRM COCC1(S(=O)(=O)N[C@H](C(=O)[O-])C2CCOCC2)CC1 ZINC000844787137 805671914 /nfs/dbraw/zinc/67/19/14/805671914.db2.gz SQUVECSJSJERAD-JTQLQIEISA-N -1 0 307.368 -0.035 20 0 DBADRM CCNC(=O)CNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000844884194 805674585 /nfs/dbraw/zinc/67/45/85/805674585.db2.gz CAXQYLPXDSTESP-UHFFFAOYSA-N -1 0 300.336 -0.272 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc1C(=O)[O-] ZINC000844900241 805675028 /nfs/dbraw/zinc/67/50/28/805675028.db2.gz MNXYHFHOPICYCH-KNVOCYPGSA-N -1 0 301.324 -0.735 20 0 DBADRM COCCONC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001297358397 805700142 /nfs/dbraw/zinc/70/01/42/805700142.db2.gz OOMGWXPAWGMSEM-UHFFFAOYSA-N -1 0 307.310 -0.120 20 0 DBADRM CCCCS(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845439065 805703394 /nfs/dbraw/zinc/70/33/94/805703394.db2.gz RLRRECGJRQUUIM-UHFFFAOYSA-N -1 0 316.383 -0.373 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)Cc1ccn(CC)n1 ZINC000845503830 805707495 /nfs/dbraw/zinc/70/74/95/805707495.db2.gz JGODYUCCIOCSGK-UHFFFAOYSA-N -1 0 303.340 -0.545 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000845509330 805708462 /nfs/dbraw/zinc/70/84/62/805708462.db2.gz DMSRFFGMXXHPBZ-JTQLQIEISA-N -1 0 306.384 -0.226 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccc2c1OCCCO2 ZINC000845510523 805708629 /nfs/dbraw/zinc/70/86/29/805708629.db2.gz HCICVDGQUSEZCE-UHFFFAOYSA-N -1 0 314.319 -0.607 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000845532095 805709402 /nfs/dbraw/zinc/70/94/02/805709402.db2.gz IMGPAJHYIVVYKT-MRVPVSSYSA-N -1 0 307.372 -0.681 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H](CC(N)=O)c1ccccc1 ZINC000845532195 805709692 /nfs/dbraw/zinc/70/96/92/805709692.db2.gz KTICBSDYEMZQFD-NSHDSACASA-N -1 0 308.338 -0.030 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1ccc(CC(N)=O)cc1 ZINC000845531939 805710006 /nfs/dbraw/zinc/71/00/06/805710006.db2.gz GTICNFZDTGLKNO-UHFFFAOYSA-N -1 0 308.338 -0.419 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)NCC(=O)[N-]OCC)C1 ZINC000845541948 805712981 /nfs/dbraw/zinc/71/29/81/805712981.db2.gz NIINKSASUOALJF-SECBINFHSA-N -1 0 301.347 -0.843 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC(C)(C)CN1CCOCC1 ZINC000845534331 805710686 /nfs/dbraw/zinc/71/06/86/805710686.db2.gz LWFTWWYRDYGTAQ-UHFFFAOYSA-N -1 0 302.375 -0.536 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000845536425 805710752 /nfs/dbraw/zinc/71/07/52/805710752.db2.gz ZIBAIWUFNLOYKQ-QWRGUYRKSA-N -1 0 301.343 -0.357 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(CCOC)Cc1ccnn1C ZINC000845535689 805711025 /nfs/dbraw/zinc/71/10/25/805711025.db2.gz MMJBOEOJFBHOMR-UHFFFAOYSA-N -1 0 313.358 -0.354 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCSC[C@H](C(=O)OC)C1 ZINC000845534300 805711066 /nfs/dbraw/zinc/71/10/66/805711066.db2.gz LMYARTHKNSSWQN-SECBINFHSA-N -1 0 319.383 -0.398 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000845535957 805711201 /nfs/dbraw/zinc/71/12/01/805711201.db2.gz ZBVIEFIKAXPWCX-UHFFFAOYSA-N -1 0 317.386 -0.079 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC1CCN(c2cccnn2)CC1 ZINC000845539681 805712008 /nfs/dbraw/zinc/71/20/08/805712008.db2.gz YLZFVILJGKQMIK-UHFFFAOYSA-N -1 0 322.369 -0.188 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000845536881 805712025 /nfs/dbraw/zinc/71/20/25/805712025.db2.gz AHIZMHBHSRFVOI-SECBINFHSA-N -1 0 307.372 -0.727 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000845537028 805712069 /nfs/dbraw/zinc/71/20/69/805712069.db2.gz FADPSQYKFFLSFW-UHFFFAOYSA-N -1 0 312.370 -0.246 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC(C)(C)[C@@]1(O)CCOC1 ZINC000845537177 805712235 /nfs/dbraw/zinc/71/22/35/805712235.db2.gz TXBQPXCWJVWTJS-CYBMUJFWSA-N -1 0 303.359 -0.469 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCN(C(=O)OCC)C1 ZINC000845539018 805712253 /nfs/dbraw/zinc/71/22/53/805712253.db2.gz ABGNCUCKQSPEFG-VIFPVBQESA-N -1 0 302.331 -0.416 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000845538727 805712289 /nfs/dbraw/zinc/71/22/89/805712289.db2.gz WPOAHKVXOKUBSC-VIFPVBQESA-N -1 0 302.375 -0.001 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCN(C(=O)OCC)C1 ZINC000845539017 805712319 /nfs/dbraw/zinc/71/23/19/805712319.db2.gz ABGNCUCKQSPEFG-SECBINFHSA-N -1 0 302.331 -0.416 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000845539309 805712413 /nfs/dbraw/zinc/71/24/13/805712413.db2.gz VTQGAOBEFQNPLY-VIFPVBQESA-N -1 0 307.372 -0.870 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(Cn2cncn2)CC1 ZINC000845538178 805712451 /nfs/dbraw/zinc/71/24/51/805712451.db2.gz RSBIKLQQFTXKHX-UHFFFAOYSA-N -1 0 310.358 -0.233 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC([C@@H](O)C(=O)OC)CC1 ZINC000845542526 805713140 /nfs/dbraw/zinc/71/31/40/805713140.db2.gz TWOQLDRTCUMVRD-LLVKDONJSA-N -1 0 317.342 -0.990 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCOc1ncccc1F ZINC000845542957 805713276 /nfs/dbraw/zinc/71/32/76/805713276.db2.gz YKSNBQGUKQEXNZ-UHFFFAOYSA-N -1 0 300.290 -0.034 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@@H](CC(=O)OC)C1 ZINC000845544188 805713289 /nfs/dbraw/zinc/71/32/89/805713289.db2.gz PENIBCQTQPDDGA-VIFPVBQESA-N -1 0 303.315 -0.972 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCOC[C@@H]1c1noc(C)n1 ZINC000845542023 805713483 /nfs/dbraw/zinc/71/34/83/805713483.db2.gz YKBNPLSSYZMRHR-SECBINFHSA-N -1 0 313.314 -0.471 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC(=O)NCCc1ccccc1 ZINC000845548584 805714042 /nfs/dbraw/zinc/71/40/42/805714042.db2.gz KPDYHEKHQOVSAK-UHFFFAOYSA-N -1 0 322.365 -0.288 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)[C@H](C)CS(=O)(=O)CC ZINC000845546975 805714289 /nfs/dbraw/zinc/71/42/89/805714289.db2.gz ZTWQZISITXTORS-SECBINFHSA-N -1 0 309.388 -0.481 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(CC)[C@H](C)CS(=O)(=O)CC ZINC000845546360 805714655 /nfs/dbraw/zinc/71/46/55/805714655.db2.gz RRLAFOAZHHWFJC-SNVBAGLBSA-N -1 0 323.415 -0.091 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@H](CNC(C)=O)C1 ZINC000845549331 805715218 /nfs/dbraw/zinc/71/52/18/805715218.db2.gz XFEGPFRMGMYVCN-LLVKDONJSA-N -1 0 300.359 -0.388 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(CC(F)(F)F)CC1 ZINC000845549456 805715565 /nfs/dbraw/zinc/71/55/65/805715565.db2.gz IXFFIUKALRQPBW-UHFFFAOYSA-N -1 0 312.292 -0.056 20 0 DBADRM CC(C)=CC(=O)NC[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001297714454 805723247 /nfs/dbraw/zinc/72/32/47/805723247.db2.gz QORSVYADRWQVJP-MRVPVSSYSA-N -1 0 309.326 -0.269 20 0 DBADRM COCCO[N-]C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 ZINC000845718476 805724609 /nfs/dbraw/zinc/72/46/09/805724609.db2.gz LOXXADGTAPTOQT-VIFPVBQESA-N -1 0 301.274 -0.994 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000846003545 805740243 /nfs/dbraw/zinc/74/02/43/805740243.db2.gz XQUKYTLCQAHCFI-UHFFFAOYSA-N -1 0 322.368 -0.553 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(F)cc1OC ZINC000846129764 805743888 /nfs/dbraw/zinc/74/38/88/805743888.db2.gz DPFXSUZXAGBFKU-UHFFFAOYSA-N -1 0 313.285 -0.043 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000846130827 805744513 /nfs/dbraw/zinc/74/45/13/805744513.db2.gz LYZAEIVVZBKMAS-UHFFFAOYSA-N -1 0 309.326 -0.730 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000846130855 805744924 /nfs/dbraw/zinc/74/49/24/805744924.db2.gz MRNBPLGVCGUNSD-UHFFFAOYSA-N -1 0 320.349 -0.246 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1sc(C)nc1C ZINC000846132793 805745020 /nfs/dbraw/zinc/74/50/20/805745020.db2.gz CYLYLJYYTQTIPA-UHFFFAOYSA-N -1 0 300.340 -0.118 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc2c[nH]nc2cc1C ZINC000846132701 805745070 /nfs/dbraw/zinc/74/50/70/805745070.db2.gz AAZSPBZTWYWJGA-UHFFFAOYSA-N -1 0 319.321 -0.006 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000846132204 805745536 /nfs/dbraw/zinc/74/55/36/805745536.db2.gz YOSMEALKAMEMBA-UHFFFAOYSA-N -1 0 323.353 -0.104 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc2c1OCO2 ZINC000846133326 805745573 /nfs/dbraw/zinc/74/55/73/805745573.db2.gz PKGSKBKDDLPHFC-UHFFFAOYSA-N -1 0 309.278 -0.462 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C)n(C(C)C)n1 ZINC000846132971 805745651 /nfs/dbraw/zinc/74/56/51/805745651.db2.gz QZQRKYNUOVIETH-UHFFFAOYSA-N -1 0 311.342 -0.105 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccnc1Cl ZINC000846133069 805745707 /nfs/dbraw/zinc/74/57/07/805745707.db2.gz JRPQDYSVYGQYPK-UHFFFAOYSA-N -1 0 300.702 -0.143 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)COC2 ZINC000846133804 805746122 /nfs/dbraw/zinc/74/61/22/805746122.db2.gz YDSZNXYNVCFCIQ-UHFFFAOYSA-N -1 0 307.306 -0.161 20 0 DBADRM COCCCO[N-]C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 ZINC000846142364 805746528 /nfs/dbraw/zinc/74/65/28/805746528.db2.gz SBYYKZQICHUJSG-JTQLQIEISA-N -1 0 315.301 -0.604 20 0 DBADRM Cn1cc([C@@H](NC(=O)c2cc(=O)[nH][n-]2)C2(CO)CCC2)cn1 ZINC000846202051 805749340 /nfs/dbraw/zinc/74/93/40/805749340.db2.gz SRHOIMLIVVAIAO-GFCCVEGCSA-N -1 0 305.338 -0.384 20 0 DBADRM CCC[C@H](C)[C@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000846369434 805753999 /nfs/dbraw/zinc/75/39/99/805753999.db2.gz XORWBZZWJWCRQT-ONGXEEELSA-N -1 0 307.354 -0.016 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000846490735 805756594 /nfs/dbraw/zinc/75/65/94/805756594.db2.gz KYVBGLZXEYOAFN-JTQLQIEISA-N -1 0 307.354 -0.098 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000846492887 805756974 /nfs/dbraw/zinc/75/69/74/805756974.db2.gz GFQTUGJJICCHDA-RYUDHWBXSA-N -1 0 322.321 -0.859 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC000846490164 805757162 /nfs/dbraw/zinc/75/71/62/805757162.db2.gz GGJMJQYIKHMBEP-SECBINFHSA-N -1 0 315.326 -0.343 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000846496836 805757819 /nfs/dbraw/zinc/75/78/19/805757819.db2.gz OYQUQCBLVPUUEQ-NKWVEPMBSA-N -1 0 311.260 -0.373 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cc1cccc(OCC(=O)NC)c1 ZINC000846494334 805758018 /nfs/dbraw/zinc/75/80/18/805758018.db2.gz PIPFAUCZEHZRPN-UHFFFAOYSA-N -1 0 323.349 -0.462 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000846495422 805758282 /nfs/dbraw/zinc/75/82/82/805758282.db2.gz ABGMKAPFPTWPMJ-ZETCQYMHSA-N -1 0 311.260 -0.419 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cnc2ccc(C)cn2c1=O ZINC000846495508 805758428 /nfs/dbraw/zinc/75/84/28/805758428.db2.gz DGGYEKGRSSIEKK-UHFFFAOYSA-N -1 0 304.306 -0.200 20 0 DBADRM CCCC(=O)N1CSC[C@H]1C(=O)NCC(=O)[N-]OCC ZINC000846496205 805758446 /nfs/dbraw/zinc/75/84/46/805758446.db2.gz NCIVICSDFKDYGC-VIFPVBQESA-N -1 0 303.384 -0.128 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000846497947 805758957 /nfs/dbraw/zinc/75/89/57/805758957.db2.gz YZZYMOVZHLIAQA-UHFFFAOYSA-N -1 0 319.339 -0.673 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CN1C(=O)c2ccccc2C1=O ZINC000846498956 805759113 /nfs/dbraw/zinc/75/91/13/805759113.db2.gz HASGVTIUXKIRJC-UHFFFAOYSA-N -1 0 305.290 -0.534 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cn1cnc2sccc2c1=O ZINC000846498835 805759126 /nfs/dbraw/zinc/75/91/26/805759126.db2.gz YXNVFGKZTVNQAT-UHFFFAOYSA-N -1 0 310.335 -0.358 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000846499755 805759301 /nfs/dbraw/zinc/75/93/01/805759301.db2.gz YYNDPSNNGYWCDM-UHFFFAOYSA-N -1 0 304.306 -0.269 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CN1C(=O)COc2ccccc21 ZINC000846498718 805759477 /nfs/dbraw/zinc/75/94/77/805759477.db2.gz WJILUVYYDXQSID-UHFFFAOYSA-N -1 0 307.306 -0.404 20 0 DBADRM CCON(C)C(=O)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000846508193 805762080 /nfs/dbraw/zinc/76/20/80/805762080.db2.gz NDJBZCKFVYVRIQ-UHFFFAOYSA-N -1 0 313.276 -0.030 20 0 DBADRM COC(=O)[C@H](NC(=O)c1cc(=O)[nH][n-]1)[C@@H]1CCC[C@@H](OC)C1 ZINC000846596115 805765079 /nfs/dbraw/zinc/76/50/79/805765079.db2.gz QJGOUBTYVCSSQP-KBVBSXBZSA-N -1 0 311.338 -0.275 20 0 DBADRM COC(=O)CCCO[N-]C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000846653386 805769521 /nfs/dbraw/zinc/76/95/21/805769521.db2.gz OQEXNLKRLGZWBI-UHFFFAOYSA-N -1 0 312.326 -0.618 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2cnccn2)c1[O-] ZINC001298228143 805769930 /nfs/dbraw/zinc/76/99/30/805769930.db2.gz PUDCANOQWIVULH-NSCUHMNNSA-N -1 0 316.321 -0.070 20 0 DBADRM C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000846759269 805775758 /nfs/dbraw/zinc/77/57/58/805775758.db2.gz QJYFJZMMENMRDT-KHQFGBGNSA-N -1 0 300.311 -0.036 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCS(=O)(=O)CC[C@H]1C ZINC000846723669 805773507 /nfs/dbraw/zinc/77/35/07/805773507.db2.gz HQZBLVVCPHGGBQ-SECBINFHSA-N -1 0 307.372 -0.727 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCCc2c1ccc(=O)n2C ZINC000846742012 805774445 /nfs/dbraw/zinc/77/44/45/805774445.db2.gz HYDVANAOCGMRBA-LLVKDONJSA-N -1 0 323.349 -0.427 20 0 DBADRM C[C@H](C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001298335309 805789234 /nfs/dbraw/zinc/78/92/34/805789234.db2.gz QFKRHDIWYFVBRR-KZUAUGPASA-N -1 0 321.337 -0.269 20 0 DBADRM Cn1cnnc1CCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001298370137 805793687 /nfs/dbraw/zinc/79/36/87/805793687.db2.gz CMBGBXLJMMELAH-UHFFFAOYSA-N -1 0 301.310 -0.486 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)NCc2n[nH]c(=O)[n-]2)C1 ZINC000847544557 805806916 /nfs/dbraw/zinc/80/69/16/805806916.db2.gz MAVKZBALCAUNQX-UHFFFAOYSA-N -1 0 313.314 -0.892 20 0 DBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2ccccc2)c(=O)n1C ZINC000847619334 805809904 /nfs/dbraw/zinc/80/99/04/805809904.db2.gz ZSPZJCSJISNYIK-UHFFFAOYSA-N -1 0 310.335 -0.605 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc2c(n1)OCCO2 ZINC000847645712 805810832 /nfs/dbraw/zinc/81/08/32/805810832.db2.gz SVNPXLCUCIOBKZ-UHFFFAOYSA-N -1 0 302.308 -0.441 20 0 DBADRM CN(C)c1cnc(C(=O)[N-]S(=O)(=O)Cc2ccon2)cn1 ZINC000847659341 805810961 /nfs/dbraw/zinc/81/09/61/805810961.db2.gz LZAJFDQYPIVMBQ-UHFFFAOYSA-N -1 0 311.323 -0.210 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(n1)OCCO2 ZINC000847646901 805811257 /nfs/dbraw/zinc/81/12/57/805811257.db2.gz FZDNARYHNUQSJI-MRVPVSSYSA-N -1 0 316.335 -0.053 20 0 DBADRM CN(C)c1cnc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cn1 ZINC000847669613 805811464 /nfs/dbraw/zinc/81/14/64/805811464.db2.gz IWDLCOWFFZTJNF-VIFPVBQESA-N -1 0 314.367 -0.361 20 0 DBADRM CC1(C)Cc2cccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c2O1 ZINC000847678925 805812167 /nfs/dbraw/zinc/81/21/67/805812167.db2.gz JRVSDXSYESTXSC-UHFFFAOYSA-N -1 0 312.347 -0.055 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccn(C(C)(C)C)n1 ZINC000847691031 805812638 /nfs/dbraw/zinc/81/26/38/805812638.db2.gz NEOXNRGYJOFZRV-UHFFFAOYSA-N -1 0 312.355 -0.115 20 0 DBADRM CSCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847997799 805818855 /nfs/dbraw/zinc/81/88/55/805818855.db2.gz AHJRBKAIOOYQGR-UHFFFAOYSA-N -1 0 321.380 -0.032 20 0 DBADRM CN(C)c1cnc(C(=O)[N-]S(=O)(=O)c2cccn2C)cn1 ZINC000847731052 805813267 /nfs/dbraw/zinc/81/32/67/805813267.db2.gz XWPVUWJPSSQPCK-UHFFFAOYSA-N -1 0 309.351 0.000 20 0 DBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)cn1 ZINC000847847494 805816478 /nfs/dbraw/zinc/81/64/78/805816478.db2.gz KLRMHDPTQTUSQS-UHFFFAOYSA-N -1 0 311.323 -0.731 20 0 DBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000847846580 805816678 /nfs/dbraw/zinc/81/66/78/805816678.db2.gz RRBJSANXUCQRGV-QMMMGPOBSA-N -1 0 303.340 -0.435 20 0 DBADRM CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995128 805818779 /nfs/dbraw/zinc/81/87/79/805818779.db2.gz ATESYRHDEUTNJK-SSDOTTSWSA-N -1 0 319.339 -0.216 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc(Br)[nH]c1=O ZINC001298667777 805823529 /nfs/dbraw/zinc/82/35/29/805823529.db2.gz JNBAHXZYEWXVJG-UHFFFAOYSA-N -1 0 316.071 -0.064 20 0 DBADRM CC(C)OCCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847997355 805818866 /nfs/dbraw/zinc/81/88/66/805818866.db2.gz QSFIVWIIQYSTON-UHFFFAOYSA-N -1 0 319.339 -0.216 20 0 DBADRM CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995130 805819135 /nfs/dbraw/zinc/81/91/35/805819135.db2.gz ATESYRHDEUTNJK-ZETCQYMHSA-N -1 0 319.339 -0.216 20 0 DBADRM CCCSCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996528 805819275 /nfs/dbraw/zinc/81/92/75/805819275.db2.gz ONVZIFXYRCYPTQ-UHFFFAOYSA-N -1 0 307.353 -0.278 20 0 DBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)C(F)=C2CCC2)on1 ZINC000847998364 805819456 /nfs/dbraw/zinc/81/94/56/805819456.db2.gz UGHNPHROGQNZEN-UHFFFAOYSA-N -1 0 303.271 -0.014 20 0 DBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCSC2)on1 ZINC000847997975 805819672 /nfs/dbraw/zinc/81/96/72/805819672.db2.gz HATJFTGDHBGFCI-ZCFIWIBFSA-N -1 0 319.364 -0.278 20 0 DBADRM C[C@@H]1C[C@@H](C)[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)O1 ZINC000847998085 805820124 /nfs/dbraw/zinc/82/01/24/805820124.db2.gz LBYBXOBXANMRDO-HCVRKRLWSA-N -1 0 317.323 -0.608 20 0 DBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)C2(F)CCCC2)on1 ZINC000847998388 805820134 /nfs/dbraw/zinc/82/01/34/805820134.db2.gz UYOCGNXMXLJVNZ-UHFFFAOYSA-N -1 0 305.287 -0.139 20 0 DBADRM C[C@]1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CC1(F)F ZINC000847997866 805820190 /nfs/dbraw/zinc/82/01/90/805820190.db2.gz CYQYRWFYIHRZBP-MRVPVSSYSA-N -1 0 309.250 -0.376 20 0 DBADRM COCCOc1ccc(CNC(=O)c2c[n-]ncc2=O)nn1 ZINC001298694050 805826832 /nfs/dbraw/zinc/82/68/32/805826832.db2.gz YIRUQEZXUCSHSQ-UHFFFAOYSA-N -1 0 305.294 -0.073 20 0 DBADRM CC1(C)C[C@](C)(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C(=O)O1 ZINC000848151549 805829317 /nfs/dbraw/zinc/82/93/17/805829317.db2.gz LPXFBBKSLAHGNR-AWEZNQCLSA-N -1 0 319.321 -0.328 20 0 DBADRM Cn1cc(/C=C/C(=O)N(CC(=O)[O-])C2CCC2)c(=O)n(C)c1=O ZINC000848456681 805838031 /nfs/dbraw/zinc/83/80/31/805838031.db2.gz ZXSILLVOSJBNAG-VOTSOKGWSA-N -1 0 321.333 -0.437 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000848637085 805844233 /nfs/dbraw/zinc/84/42/33/805844233.db2.gz ILTVCFNPXGLGIG-CYBMUJFWSA-N -1 0 310.310 -0.340 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000848608038 805841923 /nfs/dbraw/zinc/84/19/23/805841923.db2.gz OQHNFGZEYXQUHW-SNVBAGLBSA-N -1 0 315.370 -0.556 20 0 DBADRM CC(=O)OC1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000848608939 805841997 /nfs/dbraw/zinc/84/19/97/805841997.db2.gz CXOPLNULBJZHTD-QMMMGPOBSA-N -1 0 300.311 -0.623 20 0 DBADRM CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000848607916 805842339 /nfs/dbraw/zinc/84/23/39/805842339.db2.gz LZNJBYXKVDJMNX-VIFPVBQESA-N -1 0 322.383 -0.990 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](c2nccn2C)C1)C(=O)[O-] ZINC000848610619 805843380 /nfs/dbraw/zinc/84/33/80/805843380.db2.gz VFZWKIHJUXJYSB-WDEREUQCSA-N -1 0 322.365 -0.037 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1)C(=O)[O-] ZINC000848609839 805843455 /nfs/dbraw/zinc/84/34/55/805843455.db2.gz HRTVVHKBPSTSQK-VHSXEESVSA-N -1 0 314.338 -0.375 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000848874466 805851476 /nfs/dbraw/zinc/85/14/76/805851476.db2.gz AEDHWZQRSIZWAR-SNVBAGLBSA-N -1 0 322.383 -0.735 20 0 DBADRM CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000848957522 805852829 /nfs/dbraw/zinc/85/28/29/805852829.db2.gz QLXSTOBEUKYUHE-UHFFFAOYSA-N -1 0 324.384 -0.569 20 0 DBADRM CC/C=C(/C)C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001299067079 805856185 /nfs/dbraw/zinc/85/61/85/805856185.db2.gz JPMDSNRRWQYDOH-USYJTPIQSA-N -1 0 321.337 -0.030 20 0 DBADRM CC/C=C(/C)C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001299067077 805856239 /nfs/dbraw/zinc/85/62/39/805856239.db2.gz JPMDSNRRWQYDOH-OTOXVQDCSA-N -1 0 321.337 -0.030 20 0 DBADRM CC/C=C(\C)C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001299067078 805856527 /nfs/dbraw/zinc/85/65/27/805856527.db2.gz JPMDSNRRWQYDOH-SGDMMICCSA-N -1 0 321.337 -0.030 20 0 DBADRM O=C(C[C@@]1(C(=O)[O-])CCOC1)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000849181603 805858756 /nfs/dbraw/zinc/85/87/56/805858756.db2.gz REHKJGBBSDNDSK-HZMBPMFUSA-N -1 0 312.322 -0.033 20 0 DBADRM COC1CCN(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])CC1 ZINC000849219056 805860013 /nfs/dbraw/zinc/86/00/13/805860013.db2.gz MOXQCJFSMCCANI-GFCCVEGCSA-N -1 0 324.399 -0.595 20 0 DBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)[N-]N2CCCNC2=O)c1 ZINC000849386653 805866583 /nfs/dbraw/zinc/86/65/83/805866583.db2.gz ANGOURCQDHELSS-UHFFFAOYSA-N -1 0 312.351 -0.297 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000850477491 805891646 /nfs/dbraw/zinc/89/16/46/805891646.db2.gz XNLJDIQCECTBIU-UHFFFAOYSA-N -1 0 321.333 -0.118 20 0 DBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)[N-]OCC1CCC1 ZINC000850719563 805901132 /nfs/dbraw/zinc/90/11/32/805901132.db2.gz LLTXBTAQGUYLQQ-UHFFFAOYSA-N -1 0 310.310 -0.007 20 0 DBADRM CC(C)CS(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCOCC1 ZINC000850804042 805903580 /nfs/dbraw/zinc/90/35/80/805903580.db2.gz BXLDZXOCARQBRJ-UHFFFAOYSA-N -1 0 317.371 -0.719 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000850828647 805903659 /nfs/dbraw/zinc/90/36/59/805903659.db2.gz QMWFAYBGMJZYGT-UHFFFAOYSA-N -1 0 318.403 -0.328 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000850842602 805904220 /nfs/dbraw/zinc/90/42/20/805904220.db2.gz MLLUITHQDVVGEC-MRVPVSSYSA-N -1 0 319.387 -0.549 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)Cn1cc(C2CC2)cn1 ZINC000850833886 805904401 /nfs/dbraw/zinc/90/44/01/805904401.db2.gz SYIQUCJHLZNDLJ-UHFFFAOYSA-N -1 0 301.324 -0.621 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000850834456 805904484 /nfs/dbraw/zinc/90/44/84/805904484.db2.gz AFXFJZQIMCBBRO-UHFFFAOYSA-N -1 0 319.387 -0.547 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000850834701 805904677 /nfs/dbraw/zinc/90/46/77/805904677.db2.gz LMBCICIZGAEKEV-GMTAPVOTSA-N -1 0 318.395 -0.226 20 0 DBADRM O=C(Cn1cc(C2CC2)cn1)[N-]S(=O)(=O)N1CCOCC1 ZINC000850862759 805905551 /nfs/dbraw/zinc/90/55/51/805905551.db2.gz UPSCNFCDNGFKTM-UHFFFAOYSA-N -1 0 314.367 -0.546 20 0 DBADRM C[C@@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)[C@H]1CCCO1 ZINC000850862810 805905689 /nfs/dbraw/zinc/90/56/89/805905689.db2.gz WIBHNGCNQNCOPR-WDEREUQCSA-N -1 0 306.384 -0.115 20 0 DBADRM Cc1ccn([C@@H](C)CC(=O)[N-]S(=O)(=O)c2cnnn2C)n1 ZINC000850972074 805909619 /nfs/dbraw/zinc/90/96/19/805909619.db2.gz KIHLEBTVERGOJU-VIFPVBQESA-N -1 0 312.355 -0.224 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CN1CCN(C2CC2)C1=O ZINC000850888396 805906451 /nfs/dbraw/zinc/90/64/51/805906451.db2.gz QGJMZGOHDXQZBM-UHFFFAOYSA-N -1 0 318.399 -0.411 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@]12C[C@H]1COC2(C)C ZINC000850888867 805906578 /nfs/dbraw/zinc/90/65/78/805906578.db2.gz OOLIDDDMTXBPAV-CABZTGNLSA-N -1 0 306.384 -0.259 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H](OC)C1CCC1 ZINC000850896713 805906658 /nfs/dbraw/zinc/90/66/58/805906658.db2.gz BZYNALJVBQSSAX-NSHDSACASA-N -1 0 309.384 -0.090 20 0 DBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)n1 ZINC000850938240 805908033 /nfs/dbraw/zinc/90/80/33/805908033.db2.gz XKTCBLABFOVJDD-QMMMGPOBSA-N -1 0 317.371 -0.333 20 0 DBADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cnnn1C)[C@H]1CCCO1 ZINC000850972267 805909718 /nfs/dbraw/zinc/90/97/18/805909718.db2.gz QORIUELLYBUILG-DTWKUNHWSA-N -1 0 302.356 -0.175 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1COC[C@@H]1c1ccccc1 ZINC000850940271 805908262 /nfs/dbraw/zinc/90/82/62/805908262.db2.gz KUHDXLMSNDLZPI-GHMZBOCLSA-N -1 0 312.347 -0.652 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)C1CCCC1 ZINC000850972220 805909348 /nfs/dbraw/zinc/90/93/48/805909348.db2.gz OSYRJBXDKKOEJD-JTQLQIEISA-N -1 0 302.356 -0.175 20 0 DBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCOCC1 ZINC000850942921 805909548 /nfs/dbraw/zinc/90/95/48/805909548.db2.gz MTDVUQBNPXMEHC-SECBINFHSA-N -1 0 317.371 -0.577 20 0 DBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000850987866 805910721 /nfs/dbraw/zinc/91/07/21/805910721.db2.gz SYCQOCJOIJMGTL-VIFPVBQESA-N -1 0 304.324 -0.444 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H](OC)[C@H]1CCOC1 ZINC000851021625 805911579 /nfs/dbraw/zinc/91/15/79/805911579.db2.gz LNHGGIPMYBUGFV-WPRPVWTQSA-N -1 0 309.340 -0.953 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cnc2n1CCC2 ZINC000851022198 805912131 /nfs/dbraw/zinc/91/21/31/805912131.db2.gz SZELIEJSQNKAFA-UHFFFAOYSA-N -1 0 301.324 -0.548 20 0 DBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000851067327 805912208 /nfs/dbraw/zinc/91/22/08/805912208.db2.gz NYRUXOFSPISDHE-JTQLQIEISA-N -1 0 305.356 -0.070 20 0 DBADRM O=C(c1ccnc2[nH]c(=O)[nH]c21)N1CC[C@H](c2nnn[n-]2)C1 ZINC001302935579 805912292 /nfs/dbraw/zinc/91/22/92/805912292.db2.gz CNSXLFZJUASLPG-LURJTMIESA-N -1 0 300.282 -0.194 20 0 DBADRM CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)c1cc(=O)n(C)[n-]1 ZINC001303174813 805913095 /nfs/dbraw/zinc/91/30/95/805913095.db2.gz YOAQZXAXJUKDFH-UHFFFAOYSA-N -1 0 303.282 -0.871 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CC(F)F ZINC000851359309 805914008 /nfs/dbraw/zinc/91/40/08/805914008.db2.gz HUDCNRGRSVFITO-LURJTMIESA-N -1 0 320.339 -0.879 20 0 DBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)CC(F)F)CC1=O ZINC000851359335 805914554 /nfs/dbraw/zinc/91/45/54/805914554.db2.gz IVQQHTHYYWNLLK-SSDOTTSWSA-N -1 0 314.310 -0.808 20 0 DBADRM COc1cc(CS(=O)(=O)[N-]C(=O)[C@H]2COCCO2)sn1 ZINC000851433650 805916971 /nfs/dbraw/zinc/91/69/71/805916971.db2.gz BKHAOBNYOBXHJM-MRVPVSSYSA-N -1 0 322.364 -0.487 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)/C=C/c1cnn(C)c1 ZINC000851497966 805917954 /nfs/dbraw/zinc/91/79/54/805917954.db2.gz KDKDUIBEPKHXJJ-SNAWJCMRSA-N -1 0 317.367 -0.459 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000851502089 805918509 /nfs/dbraw/zinc/91/85/09/805918509.db2.gz MGRCMJHCXQIXIQ-IQJOONFLSA-N -1 0 309.384 -0.093 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cccnc1OC ZINC000851501777 805918771 /nfs/dbraw/zinc/91/87/71/805918771.db2.gz CGTWNTZUHKKKOW-UHFFFAOYSA-N -1 0 318.351 -0.189 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCc1ccnn1C ZINC000851502911 805918823 /nfs/dbraw/zinc/91/88/23/805918823.db2.gz YHNQOBAYBPIHJH-UHFFFAOYSA-N -1 0 319.383 -0.540 20 0 DBADRM CCOc1nc(C(=O)[N-]S(=O)(=O)C(COC)COC)co1 ZINC000851502074 805918857 /nfs/dbraw/zinc/91/88/57/805918857.db2.gz LOGDZWSQOYSPFH-UHFFFAOYSA-N -1 0 322.339 -0.206 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C(C)(C)CNC(C)=O ZINC000851504341 805919313 /nfs/dbraw/zinc/91/93/13/805919313.db2.gz VGEQGKVXJIDHLV-UHFFFAOYSA-N -1 0 324.399 -0.744 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)/C=C/[C@H]1CCCO1 ZINC000851503857 805919334 /nfs/dbraw/zinc/91/93/34/805919334.db2.gz MWDKOKMJPJNSNH-BRAIEQGRSA-N -1 0 307.368 -0.171 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cc(OC)ccn1 ZINC000851504374 805919704 /nfs/dbraw/zinc/91/97/04/805919704.db2.gz WACFHDKGWVCDKU-UHFFFAOYSA-N -1 0 318.351 -0.189 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)/C=C\[C@@H]1CCCO1 ZINC000851503858 805919784 /nfs/dbraw/zinc/91/97/84/805919784.db2.gz MWDKOKMJPJNSNH-OMMCCPJFSA-N -1 0 307.368 -0.171 20 0 DBADRM CC(C)(C)n1nnc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)n1 ZINC000851601329 805920372 /nfs/dbraw/zinc/92/03/72/805920372.db2.gz QOFRTRZQUSNNKC-UHFFFAOYSA-N -1 0 320.313 -0.585 20 0 DBADRM O=C([O-])[C@@]1(F)CN(C(=O)C2(n3cnnn3)CC2)CC12CCC2 ZINC000851614626 805920396 /nfs/dbraw/zinc/92/03/96/805920396.db2.gz QONQYHDGTKSMAU-ZDUSSCGKSA-N -1 0 309.301 -0.032 20 0 DBADRM CN(CC(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1)S(C)(=O)=O ZINC000851612012 805920508 /nfs/dbraw/zinc/92/05/08/805920508.db2.gz VWDWQZDJZJHSSL-GFCCVEGCSA-N -1 0 322.358 -0.317 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C1(n2cnnn2)CCOCC1 ZINC000851605833 805920785 /nfs/dbraw/zinc/92/07/85/805920785.db2.gz GKHAWQGJSVFAHH-ZJUUUORDSA-N -1 0 309.326 -0.500 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccn3nnnc3c2)C1 ZINC000851604825 805921101 /nfs/dbraw/zinc/92/11/01/805921101.db2.gz BQMIZKZVYJKDNK-CYBMUJFWSA-N -1 0 305.294 -0.312 20 0 DBADRM CC(C)(CC(=O)[O-])NC(=O)CC1(n2cnnn2)CCOCC1 ZINC000851597039 805921222 /nfs/dbraw/zinc/92/12/22/805921222.db2.gz QPCUMXOAMUDKMM-UHFFFAOYSA-N -1 0 311.342 -0.062 20 0 DBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000851624616 805921965 /nfs/dbraw/zinc/92/19/65/805921965.db2.gz FTJJIXLTJMUVFJ-KYZUINATSA-N -1 0 309.322 -0.170 20 0 DBADRM O=C([O-])CCC1CCN(C(=O)C(=O)NCCn2cncn2)CC1 ZINC000851681995 805924093 /nfs/dbraw/zinc/92/40/93/805924093.db2.gz RXPYHSROGMEZQC-UHFFFAOYSA-N -1 0 323.353 -0.502 20 0 DBADRM CCc1cc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n[nH]1 ZINC000851680354 805924166 /nfs/dbraw/zinc/92/41/66/805924166.db2.gz HACFEMVXHZMQEJ-UHFFFAOYSA-N -1 0 308.338 -0.041 20 0 DBADRM COC(=O)N(C)CCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000851683904 805925517 /nfs/dbraw/zinc/92/55/17/805925517.db2.gz RDIRSFSVRYIEPB-UHFFFAOYSA-N -1 0 315.326 -0.828 20 0 DBADRM COC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C(C)C ZINC000851697296 805929947 /nfs/dbraw/zinc/92/99/47/805929947.db2.gz KOXAPCRGSSZGII-ISTVAULSSA-N -1 0 314.338 -0.073 20 0 DBADRM Cn1cc(C(=O)N(CC(=O)[O-])CC(C)(C)C)c(=O)n(C)c1=O ZINC000851703216 805931276 /nfs/dbraw/zinc/93/12/76/805931276.db2.gz QGHMPDYNGZQTMU-UHFFFAOYSA-N -1 0 311.338 -0.343 20 0 DBADRM COCCNC(=O)c1cccc(NC(=O)NCC(=O)[N-]OC)c1 ZINC001310716917 805944502 /nfs/dbraw/zinc/94/45/02/805944502.db2.gz UPUHKYVYQGLKTR-UHFFFAOYSA-N -1 0 324.337 -0.138 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(NC(=O)OC)CC1 ZINC000852399633 805963217 /nfs/dbraw/zinc/96/32/17/805963217.db2.gz OVTQPUUHBSMHEE-UHFFFAOYSA-N -1 0 302.331 -0.416 20 0 DBADRM CCN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)[C@H](C)C(=O)[O-] ZINC000852954647 805995066 /nfs/dbraw/zinc/99/50/66/805995066.db2.gz NVLIBIPLTPOSPJ-ATJFRQLMSA-N -1 0 309.322 -0.581 20 0 DBADRM C[C@@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)C2 ZINC000852915179 805990940 /nfs/dbraw/zinc/99/09/40/805990940.db2.gz SFUTXDABKJXYQF-WKPIXPDZSA-N -1 0 310.350 -0.196 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000852941518 805994279 /nfs/dbraw/zinc/99/42/79/805994279.db2.gz PBDGFJQMLMMAMK-UWVGGRQHSA-N -1 0 321.399 -0.386 20 0 DBADRM O=C([O-])C1(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 ZINC000852955658 805994735 /nfs/dbraw/zinc/99/47/35/805994735.db2.gz NTZAFWSFGJPSIE-UHFFFAOYSA-N -1 0 303.258 -0.056 20 0 DBADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CCn1cc[nH]c(=O)c1=O ZINC000852957821 805995172 /nfs/dbraw/zinc/99/51/72/805995172.db2.gz WGEVKEYOYFNOQM-UHFFFAOYSA-N -1 0 311.338 -0.114 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)CCC1 ZINC000853202299 806001380 /nfs/dbraw/zinc/00/13/80/806001380.db2.gz CPJGXRZXBVIUKX-SECBINFHSA-N -1 0 322.383 -0.990 20 0 DBADRM CCOC(=O)c1csc(=O)n1[C@H]1CCN(CC(=O)[O-])C1=O ZINC000853002324 805995339 /nfs/dbraw/zinc/99/53/39/805995339.db2.gz LGVZYFARVSBPHQ-ZETCQYMHSA-N -1 0 314.319 -0.056 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CCN1CCCC1=O)OC ZINC000853203289 806001111 /nfs/dbraw/zinc/00/11/11/806001111.db2.gz FJRVFUTYFVSCCI-SNVBAGLBSA-N -1 0 322.383 -0.894 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H](C)c1cnn(C)c1)OC ZINC000853204306 806001120 /nfs/dbraw/zinc/00/11/20/806001120.db2.gz WBJGNZMGHNMFFO-MWLCHTKSSA-N -1 0 319.383 -0.369 20 0 DBADRM COC(=O)NC(C)(C)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000852953928 805995588 /nfs/dbraw/zinc/99/55/88/805995588.db2.gz KAECYYDQXBGTLN-AMIZOPFISA-N -1 0 300.311 -0.319 20 0 DBADRM O=C([O-])[C@H](C(=O)N[C@H]1CCN(C2CCOCC2)C1=O)C1CC1 ZINC000852952594 805995609 /nfs/dbraw/zinc/99/56/09/805995609.db2.gz ZVUKTFFOFMJLMF-RYUDHWBXSA-N -1 0 310.350 -0.007 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)COCC(=O)[O-])CCCCC1 ZINC000852957743 805995631 /nfs/dbraw/zinc/99/56/31/805995631.db2.gz UCHBFOUYPXWZAX-UHFFFAOYSA-N -1 0 307.368 -0.049 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000852959303 805995684 /nfs/dbraw/zinc/99/56/84/805995684.db2.gz HPUIISAJAIHBGE-VIFPVBQESA-N -1 0 306.384 -0.069 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C1(C)CCOCC1)OC ZINC000853205122 806001416 /nfs/dbraw/zinc/00/14/16/806001416.db2.gz ZFNPWMFRXQKSOC-SNVBAGLBSA-N -1 0 309.384 -0.090 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)Cc1n[nH]c(=O)[n-]1 ZINC001316829727 805999638 /nfs/dbraw/zinc/99/96/38/805999638.db2.gz VHSDNZWUWSMMQI-NXEZZACHSA-N -1 0 319.369 -0.025 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)/C=C\c1cnn(C)c1)OC ZINC000853200522 806000125 /nfs/dbraw/zinc/00/01/25/806000125.db2.gz LIPXMDHRVILZJL-WYGGZMRJSA-N -1 0 317.367 -0.459 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c2c1CCC2)Cc1n[nH]c(=O)[n-]1 ZINC001316832642 806000605 /nfs/dbraw/zinc/00/06/05/806000605.db2.gz LUASVVQDGZKAEF-UHFFFAOYSA-N -1 0 319.369 -0.026 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)COc1cc(C)on1)OC ZINC000853203200 806000863 /nfs/dbraw/zinc/00/08/63/806000863.db2.gz WBUSHLKZCJCRFK-VIFPVBQESA-N -1 0 322.339 -0.531 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cc(C)n(C)n1)OC ZINC000853204752 806000905 /nfs/dbraw/zinc/00/09/05/806000905.db2.gz TYKAZIYSSVHVLR-SECBINFHSA-N -1 0 305.356 -0.550 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)CC1 ZINC000853206631 806002012 /nfs/dbraw/zinc/00/20/12/806002012.db2.gz QQRHSBAQLWTAPU-VIFPVBQESA-N -1 0 323.367 -0.563 20 0 DBADRM CCOc1nc(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)co1 ZINC000853205183 806002235 /nfs/dbraw/zinc/00/22/35/806002235.db2.gz CLMHIOSLFDRPHN-QMMMGPOBSA-N -1 0 322.339 -0.206 20 0 DBADRM COCc1nc(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)co1 ZINC000853206329 806002299 /nfs/dbraw/zinc/00/22/99/806002299.db2.gz PEOKAGFWNRCTRY-QMMMGPOBSA-N -1 0 322.339 -0.458 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CC1OCCCO1)OC ZINC000853208541 806002876 /nfs/dbraw/zinc/00/28/76/806002876.db2.gz VCWKREGGHODUJO-VIFPVBQESA-N -1 0 311.356 -0.753 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cnc2n1CCC2)OC ZINC000853210021 806002920 /nfs/dbraw/zinc/00/29/20/806002920.db2.gz VWSBDDISPXAIIY-VIFPVBQESA-N -1 0 317.367 -0.450 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CC1(COC)CC1)OC ZINC000853208161 806003196 /nfs/dbraw/zinc/00/31/96/806003196.db2.gz CIGHVKVPSWBFDU-SNVBAGLBSA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)OC ZINC000853209747 806003216 /nfs/dbraw/zinc/00/32/16/806003216.db2.gz NIUODHZPSMOXRW-YTWAJWBKSA-N -1 0 307.368 -0.339 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(=O)N1)OC ZINC000853209487 806003322 /nfs/dbraw/zinc/00/33/22/806003322.db2.gz LHVHNZQASOUJNY-UWVGGRQHSA-N -1 0 322.383 -0.847 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1nn(C)cc1C)OC ZINC000853209588 806003539 /nfs/dbraw/zinc/00/35/39/806003539.db2.gz MJVXBRMZELFEJP-VIFPVBQESA-N -1 0 305.356 -0.550 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cnn2c1CCC2)OC ZINC000853210542 806003781 /nfs/dbraw/zinc/00/37/81/806003781.db2.gz ZIYMIPHBQWIPKA-SECBINFHSA-N -1 0 317.367 -0.450 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H](OC)C1CCC1)OC ZINC000853210697 806003808 /nfs/dbraw/zinc/00/38/08/806003808.db2.gz DNLMHIUMMCPYFM-GHMZBOCLSA-N -1 0 309.384 -0.091 20 0 DBADRM Cc1cc(S(=O)(=O)NCc2nncn2C)oc1C(=O)[O-] ZINC000853231762 806004016 /nfs/dbraw/zinc/00/40/16/806004016.db2.gz SRVGYVNPLGZXLQ-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM CCn1nccc1CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000853349935 806005089 /nfs/dbraw/zinc/00/50/89/806005089.db2.gz LVYGLEWXISGDMG-CQSZACIVSA-N -1 0 308.338 -0.158 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000854215724 806029296 /nfs/dbraw/zinc/02/92/96/806029296.db2.gz LOLVEVXPWKCAQK-DTWKUNHWSA-N -1 0 307.372 -0.681 20 0 DBADRM C[C@@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1C(=O)NC2(CCCC2)C1=O ZINC000854611007 806045698 /nfs/dbraw/zinc/04/56/98/806045698.db2.gz QXTYHBQRYJTVPE-LURJTMIESA-N -1 0 324.297 -0.988 20 0 DBADRM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854610213 806045999 /nfs/dbraw/zinc/04/59/99/806045999.db2.gz DCLXYZQMXBGRRT-VIFPVBQESA-N -1 0 320.309 -0.391 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000854610207 806046219 /nfs/dbraw/zinc/04/62/19/806046219.db2.gz CZHPGPLWPMOBJR-QMMMGPOBSA-N -1 0 318.293 -0.797 20 0 DBADRM C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854611169 806046239 /nfs/dbraw/zinc/04/62/39/806046239.db2.gz RAZGOTLIZBITOU-SECBINFHSA-N -1 0 319.321 -0.103 20 0 DBADRM CN1C(=O)CO[C@H](C(=O)[N-]OC(C)(C)CO)[C@H]1c1cccnc1 ZINC000854754481 806055726 /nfs/dbraw/zinc/05/57/26/806055726.db2.gz SHBISDIESLXWIN-OLZOCXBDSA-N -1 0 323.349 -0.201 20 0 DBADRM CC(C)[C@H](CO)ONC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000854827267 806061918 /nfs/dbraw/zinc/06/19/18/806061918.db2.gz HNULHRBFDHYTRH-NSHDSACASA-N -1 0 318.351 -0.282 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)CN1C(=O)CN(C)C1=O ZINC000855132790 806070620 /nfs/dbraw/zinc/07/06/20/806070620.db2.gz WPFTWOPEWCKREE-UHFFFAOYSA-N -1 0 301.299 -0.730 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC000855133595 806070749 /nfs/dbraw/zinc/07/07/49/806070749.db2.gz JWOLENIYCGVNIU-VIFPVBQESA-N -1 0 324.399 -0.050 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1cc(=O)[nH][n-]1)c1cccc(OC)c1 ZINC000855467079 806076921 /nfs/dbraw/zinc/07/69/21/806076921.db2.gz PCUTXSZSGKTPPM-LBPRGKRZSA-N -1 0 305.290 -0.099 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1COC2(CCC2)C1 ZINC000855668687 806085470 /nfs/dbraw/zinc/08/54/70/806085470.db2.gz RXMJPKVMHUQGDP-SECBINFHSA-N -1 0 303.322 -0.101 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@@H](CO)CC1CC1 ZINC000855917077 806090888 /nfs/dbraw/zinc/09/08/88/806090888.db2.gz WKANZQFRTHJLKV-JTQLQIEISA-N -1 0 305.338 -0.404 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1C[C@H](O)C12CCC2 ZINC000855925428 806091119 /nfs/dbraw/zinc/09/11/19/806091119.db2.gz PWERTMKXINTZCU-ZJUUUORDSA-N -1 0 303.322 -0.509 20 0 DBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)[N-]OCCN1CCCC1=O ZINC000856044701 806094655 /nfs/dbraw/zinc/09/46/55/806094655.db2.gz SWUSPOPAAJXAFW-SNVBAGLBSA-N -1 0 300.359 -0.260 20 0 DBADRM O=C([N-]OCCN1CCCC1=O)[C@@H]1CCCCS1(=O)=O ZINC000856042344 806095117 /nfs/dbraw/zinc/09/51/17/806095117.db2.gz ASTDEDZYHLFYQS-JTQLQIEISA-N -1 0 304.368 -0.376 20 0 DBADRM C[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@]1(C)CO ZINC000856246676 806097811 /nfs/dbraw/zinc/09/78/11/806097811.db2.gz HWZIOWZTZKWIMD-XPTSAGLGSA-N -1 0 305.338 -0.452 20 0 DBADRM Cc1cccc([C@H]2C(=O)NCCN2C(=O)c2cc(=O)[nH][n-]2)c1 ZINC000856207721 806097967 /nfs/dbraw/zinc/09/79/67/806097967.db2.gz JUJIRRSXAFHTPU-ZDUSSCGKSA-N -1 0 300.318 -0.130 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(=O)[N-]OCC2CCC2)cn1 ZINC000856344743 806098535 /nfs/dbraw/zinc/09/85/35/806098535.db2.gz AYFQPZVGDQHSJG-UHFFFAOYSA-N -1 0 302.356 -0.454 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@H]1CO ZINC000857364492 806115014 /nfs/dbraw/zinc/11/50/14/806115014.db2.gz JXVMYWNYCCFDHR-NXEZZACHSA-N -1 0 305.338 -0.452 20 0 DBADRM COCCOCCC(=O)N1CC[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001317311272 806129245 /nfs/dbraw/zinc/12/92/45/806129245.db2.gz LIJVMYOXCGADOL-JTQLQIEISA-N -1 0 313.358 -0.746 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H]1COCCN1 ZINC000858628907 806153301 /nfs/dbraw/zinc/15/33/01/806153301.db2.gz SPLJKMUMOUEOLG-QMMMGPOBSA-N -1 0 308.791 -0.351 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000858695181 806156310 /nfs/dbraw/zinc/15/63/10/806156310.db2.gz DPWBVSJCBDYIJH-LURJTMIESA-N -1 0 321.384 -0.381 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCC[S@@](C)=O)on1 ZINC000858993997 806169002 /nfs/dbraw/zinc/16/90/02/806169002.db2.gz XBDLGQCTSFVQJM-GOSISDBHSA-N -1 0 310.353 -0.492 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@@H](C)OC2=O)on1 ZINC000859162352 806175488 /nfs/dbraw/zinc/17/54/88/806175488.db2.gz ZTHXUHBVFBMZBA-VDTYLAMSSA-N -1 0 304.280 -0.557 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cnc(C)n2C)C1=O ZINC000859133714 806175624 /nfs/dbraw/zinc/17/56/24/806175624.db2.gz GPYOLNARCYRZBO-LLVKDONJSA-N -1 0 315.355 -0.358 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cnn(C)n2)on1 ZINC000859158656 806175999 /nfs/dbraw/zinc/17/59/99/806175999.db2.gz HDPIBXPBUSWTHB-UHFFFAOYSA-N -1 0 301.284 -0.932 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC2(C)OCCCO2)on1 ZINC000859129544 806176259 /nfs/dbraw/zinc/17/62/59/806176259.db2.gz CIIUJWCBTTYACP-UHFFFAOYSA-N -1 0 320.323 -0.107 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCOC(=O)N(C)C)on1 ZINC000859221060 806179497 /nfs/dbraw/zinc/17/94/97/806179497.db2.gz LRGCOGCWPDTNBP-UHFFFAOYSA-N -1 0 321.311 -0.562 20 0 DBADRM COC(=O)CCCCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000859551056 806199779 /nfs/dbraw/zinc/19/97/79/806199779.db2.gz OVCBYXPORDPPBM-UHFFFAOYSA-N -1 0 308.294 -0.042 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000859775009 806204505 /nfs/dbraw/zinc/20/45/05/806204505.db2.gz FOJXYXYCCZTVPG-MRVPVSSYSA-N -1 0 323.305 -0.152 20 0 DBADRM CN1CC[C@H](OC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1=O ZINC000859923222 806211016 /nfs/dbraw/zinc/21/10/16/806211016.db2.gz WHNFTGNERUIMQI-VIFPVBQESA-N -1 0 313.335 -0.159 20 0 DBADRM CN(CCNCc1ccon1)C(=O)c1c[n-]n2c1nccc2=O ZINC001317640078 806213689 /nfs/dbraw/zinc/21/36/89/806213689.db2.gz MUDCEEWHDADNMC-UHFFFAOYSA-N -1 0 316.321 -0.128 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000860453293 806231439 /nfs/dbraw/zinc/23/14/39/806231439.db2.gz GDIXAEKQZNIZKV-LLVKDONJSA-N -1 0 316.383 -0.224 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCCC1)c1cn2c(n1)COCC2 ZINC000860496957 806232606 /nfs/dbraw/zinc/23/26/06/806232606.db2.gz ZUNRERQVEHIELV-UHFFFAOYSA-N -1 0 314.367 -0.126 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000860519260 806234034 /nfs/dbraw/zinc/23/40/34/806234034.db2.gz ZTGALQILVZXXEA-QWRGUYRKSA-N -1 0 306.384 -0.228 20 0 DBADRM CC(C)CCS(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC000860537559 806234799 /nfs/dbraw/zinc/23/47/99/806234799.db2.gz PKMFJIJTYHXCKE-UHFFFAOYSA-N -1 0 305.356 -0.628 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H]1CNC(=O)c2ccccc21 ZINC000860538740 806234942 /nfs/dbraw/zinc/23/49/42/806234942.db2.gz PXLZFTWIDLYJSF-NSHDSACASA-N -1 0 312.347 -0.394 20 0 DBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)CC(C)(C)C)C1=O ZINC000860542002 806235089 /nfs/dbraw/zinc/23/50/89/806235089.db2.gz REQZTBRNVZUKQE-UHFFFAOYSA-N -1 0 305.356 -0.628 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000860546633 806235141 /nfs/dbraw/zinc/23/51/41/806235141.db2.gz NEMKMLDYDJXFNS-WDEREUQCSA-N -1 0 306.384 -0.228 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000860558111 806236120 /nfs/dbraw/zinc/23/61/20/806236120.db2.gz OVLBEDQODOGPGO-SECBINFHSA-N -1 0 302.356 -0.216 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccccn2)O1 ZINC000860551564 806236876 /nfs/dbraw/zinc/23/68/76/806236876.db2.gz DETNLWPLJCDMFV-BDAKNGLRSA-N -1 0 314.319 -0.393 20 0 DBADRM CC(C)(C)Oc1cccc(C(=O)[N-]S(=O)(=O)CC(N)=O)n1 ZINC000860647920 806240240 /nfs/dbraw/zinc/24/02/40/806240240.db2.gz CKOCUVCKNRTFPX-UHFFFAOYSA-N -1 0 315.351 -0.196 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1cncc1C ZINC000860666753 806241401 /nfs/dbraw/zinc/24/14/01/806241401.db2.gz UHHCDBPALOVUAR-ZJUUUORDSA-N -1 0 317.367 -0.165 20 0 DBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000860705680 806242753 /nfs/dbraw/zinc/24/27/53/806242753.db2.gz KCZQKKWCHYCBRE-QMMMGPOBSA-N -1 0 319.339 -0.849 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000860686097 806242980 /nfs/dbraw/zinc/24/29/80/806242980.db2.gz DYZDNYBZAWDJQQ-SECBINFHSA-N -1 0 317.371 -0.829 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000860698097 806243046 /nfs/dbraw/zinc/24/30/46/806243046.db2.gz NKJISMSEYCKNHM-VIFPVBQESA-N -1 0 303.315 -0.204 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000860754695 806244839 /nfs/dbraw/zinc/24/48/39/806244839.db2.gz MBEYOBUXQGLZBP-MNOVXSKESA-N -1 0 306.384 -0.370 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)NC(C)=O ZINC000860758179 806244944 /nfs/dbraw/zinc/24/49/44/806244944.db2.gz HQQWZUONONGXRJ-SNVBAGLBSA-N -1 0 322.383 -0.454 20 0 DBADRM CC(=O)N1CC(OC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC000860816208 806247922 /nfs/dbraw/zinc/24/79/22/806247922.db2.gz KPLQRDRQWDGAFZ-UHFFFAOYSA-N -1 0 313.335 -0.159 20 0 DBADRM C[C@]1(OC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CNC(=O)C1 ZINC000860824060 806248388 /nfs/dbraw/zinc/24/83/88/806248388.db2.gz OHYDIBNWEKEGOJ-GFCCVEGCSA-N -1 0 313.335 -0.112 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)Cn1cncc1C)OC ZINC000860890536 806251284 /nfs/dbraw/zinc/25/12/84/806251284.db2.gz DLQZTBIDIWJXNQ-SNVBAGLBSA-N -1 0 305.356 -0.701 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cnn(C2CC2)c1 ZINC000860883533 806251332 /nfs/dbraw/zinc/25/13/32/806251332.db2.gz FVQOYBHYMKLTFH-UHFFFAOYSA-N -1 0 317.367 -0.061 20 0 DBADRM CCOCCO[N-]C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC000860936032 806252777 /nfs/dbraw/zinc/25/27/77/806252777.db2.gz ULLNYXXQGATBQF-UHFFFAOYSA-N -1 0 317.386 -0.120 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)c(=O)[nH]c1=O ZINC000861163269 806260225 /nfs/dbraw/zinc/26/02/25/806260225.db2.gz NZYOYLATNQKNHE-UHFFFAOYSA-N -1 0 323.277 -0.657 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000861143506 806257297 /nfs/dbraw/zinc/25/72/97/806257297.db2.gz MQMVIEAOSRFMNG-IUCAKERBSA-N -1 0 306.384 -0.085 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000861140051 806257960 /nfs/dbraw/zinc/25/79/60/806257960.db2.gz ODXMLKGHHTWHMB-JGVFFNPUSA-N -1 0 308.356 -0.256 20 0 DBADRM CCOC(=O)C1=CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000861721222 806284264 /nfs/dbraw/zinc/28/42/64/806284264.db2.gz QVPIDEHJCJNYEN-GHMZBOCLSA-N -1 0 324.333 -0.312 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC000861722291 806284276 /nfs/dbraw/zinc/28/42/76/806284276.db2.gz YUAKRPANJFWLRB-ONGXEEELSA-N -1 0 323.353 -0.517 20 0 DBADRM CCOC[C@@H]1CN(C(=O)C(=O)NCCCCC(=O)[O-])CCO1 ZINC000861723548 806284369 /nfs/dbraw/zinc/28/43/69/806284369.db2.gz KCJKUQIYCMQSIX-NSHDSACASA-N -1 0 316.354 -0.379 20 0 DBADRM CCOC(=O)C1=CC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000861723478 806284420 /nfs/dbraw/zinc/28/44/20/806284420.db2.gz JNJFIDONOCBKOU-SCZZXKLOSA-N -1 0 312.322 -0.409 20 0 DBADRM COC(=O)C1=CC[C@H](NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000861721496 806284581 /nfs/dbraw/zinc/28/45/81/806284581.db2.gz UNORITOHEDQYOS-NSHDSACASA-N -1 0 324.333 -0.312 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)n1 ZINC000861722206 806284654 /nfs/dbraw/zinc/28/46/54/806284654.db2.gz YHFXNBSPUYRNCI-JTQLQIEISA-N -1 0 323.353 -0.373 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC000861721186 806284702 /nfs/dbraw/zinc/28/47/02/806284702.db2.gz QHTICLBRVQNKCM-UWVGGRQHSA-N -1 0 323.353 -0.517 20 0 DBADRM CCOCCOCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001318374953 806290958 /nfs/dbraw/zinc/29/09/58/806290958.db2.gz XJEFFHXGENLGQL-SNVBAGLBSA-N -1 0 313.358 -0.746 20 0 DBADRM CC(C)(CO)ONC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000861880909 806301010 /nfs/dbraw/zinc/30/10/10/806301010.db2.gz TYMQKLHVQURQNM-UHFFFAOYSA-N -1 0 303.340 -0.115 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)[C@@H](CO)NC(=O)OC(C)(C)C ZINC000861907703 806302615 /nfs/dbraw/zinc/30/26/15/806302615.db2.gz UJZMXGVZGFAMCO-ZJUUUORDSA-N -1 0 306.359 -0.063 20 0 DBADRM CCN(CC)S(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC001318521939 806308758 /nfs/dbraw/zinc/30/87/58/806308758.db2.gz YZDLVUGOZQJRCZ-UHFFFAOYSA-N -1 0 305.400 -0.004 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCC(=O)N1CCCO1 ZINC000862085533 806311040 /nfs/dbraw/zinc/31/10/40/806311040.db2.gz DOYHDYJLCOVIHC-UHFFFAOYSA-N -1 0 311.260 -0.276 20 0 DBADRM Nc1nc2nc(Cn3nnc(-c4ccccc4)n3)cc(=O)n2[n-]1 ZINC001318599048 806316155 /nfs/dbraw/zinc/31/61/55/806316155.db2.gz RIQWWYLHORKDHK-UHFFFAOYSA-N -1 0 309.293 -0.298 20 0 DBADRM COCCOc1ccccc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC001318678381 806321122 /nfs/dbraw/zinc/32/11/22/806321122.db2.gz MHYUNPQTNJHNKZ-UHFFFAOYSA-N -1 0 320.309 -0.520 20 0 DBADRM COC[C@@H]1CCCN1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000862600630 806322727 /nfs/dbraw/zinc/32/27/27/806322727.db2.gz UJUOWMRUVONRSF-VIFPVBQESA-N -1 0 306.326 -0.787 20 0 DBADRM CC1(C)OC[C@@H]2C[C@@]21NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000862687637 806329842 /nfs/dbraw/zinc/32/98/42/806329842.db2.gz WLOBLGUQIWLMIG-RMLUDKJBSA-N -1 0 303.322 -0.245 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)o1 ZINC001318923926 806333298 /nfs/dbraw/zinc/33/32/98/806333298.db2.gz QYNIQLFTPAZQMN-UHFFFAOYSA-N -1 0 314.323 -0.131 20 0 DBADRM CC(C)CC[C@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000862777317 806336568 /nfs/dbraw/zinc/33/65/68/806336568.db2.gz FRXGVMQFFJGAPD-SNVBAGLBSA-N -1 0 307.354 -0.016 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001319032857 806340212 /nfs/dbraw/zinc/34/02/12/806340212.db2.gz GFVHIZXIZFVNQF-WHFBIAKZSA-N -1 0 307.232 -0.416 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCO[C@@H]2CCC[C@@H]21 ZINC000862859012 806340327 /nfs/dbraw/zinc/34/03/27/806340327.db2.gz UMGXVHYGUTUDLK-WDEREUQCSA-N -1 0 303.322 -0.149 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1ccc(-n2ccnc2)nn1 ZINC001319055784 806341182 /nfs/dbraw/zinc/34/11/82/806341182.db2.gz SFDUNFMIPYKVMD-UHFFFAOYSA-N -1 0 314.309 -0.151 20 0 DBADRM CCO[C@H](CS(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1)C1CC1 ZINC000863409968 806356010 /nfs/dbraw/zinc/35/60/10/806356010.db2.gz QKSLAXSNXOIUHH-ZYHUDNBSSA-N -1 0 307.368 -0.347 20 0 DBADRM COC1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(C)n2C)CC1 ZINC000863409692 806356116 /nfs/dbraw/zinc/35/61/16/806356116.db2.gz JBCZOWDEGRCBRI-UHFFFAOYSA-N -1 0 317.367 -0.017 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])n1C ZINC000863410103 806356183 /nfs/dbraw/zinc/35/61/83/806356183.db2.gz UPHHYXOOZJMCOA-VIFPVBQESA-N -1 0 303.340 -0.407 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1)C1CC1 ZINC000863409966 806356230 /nfs/dbraw/zinc/35/62/30/806356230.db2.gz QKSLAXSNXOIUHH-JQWIXIFHSA-N -1 0 307.368 -0.347 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)n1C ZINC000863411172 806356290 /nfs/dbraw/zinc/35/62/90/806356290.db2.gz UPKGZTDBHIXAJC-UHFFFAOYSA-N -1 0 317.367 -0.017 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-] ZINC000863416348 806356462 /nfs/dbraw/zinc/35/64/62/806356462.db2.gz IBVAMULYYXYBMX-VIFPVBQESA-N -1 0 305.356 -0.115 20 0 DBADRM CC(=O)C[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000863410370 806356533 /nfs/dbraw/zinc/35/65/33/806356533.db2.gz BTVDRLILSXLQLI-SECBINFHSA-N -1 0 303.340 -0.252 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCOC2)C[C@@H](C(=O)[O-])O1 ZINC000863429609 806356792 /nfs/dbraw/zinc/35/67/92/806356792.db2.gz HEWFAUVCIIIJCE-VWYCJHECSA-N -1 0 307.368 -0.083 20 0 DBADRM CCCOCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001319296917 806362457 /nfs/dbraw/zinc/36/24/57/806362457.db2.gz HTMHHUDKINOLKG-SNVBAGLBSA-N -1 0 313.358 -0.746 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](CCF)C2)C1 ZINC000863746292 806371152 /nfs/dbraw/zinc/37/11/52/806371152.db2.gz IWRXELRAYQUDTF-QMTHXVAHSA-N -1 0 316.329 -0.103 20 0 DBADRM COC[C@@]1(C)CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCO1 ZINC000863830274 806377778 /nfs/dbraw/zinc/37/77/78/806377778.db2.gz VBVIXNDLRLFCIF-CQSZACIVSA-N -1 0 321.337 -0.665 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000864057590 806386612 /nfs/dbraw/zinc/38/66/12/806386612.db2.gz MJLYKCVTUGOMME-QMMMGPOBSA-N -1 0 308.294 -0.169 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CCOC1 ZINC000864127545 806390034 /nfs/dbraw/zinc/39/00/34/806390034.db2.gz XPIVNGHRZSGWGN-MATHAZKKSA-N -1 0 313.228 -0.307 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CCOC1 ZINC000864127543 806390333 /nfs/dbraw/zinc/39/03/33/806390333.db2.gz XPIVNGHRZSGWGN-FWWHASMVSA-N -1 0 313.228 -0.307 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CCO1 ZINC000864123286 806390433 /nfs/dbraw/zinc/39/04/33/806390433.db2.gz LJEVDGOOBDPVJU-PRJMDXOYSA-N -1 0 313.228 -0.355 20 0 DBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000864119170 806390813 /nfs/dbraw/zinc/39/08/13/806390813.db2.gz WSKOVKFUPKODPW-VIFPVBQESA-N -1 0 317.319 -0.083 20 0 DBADRM CO[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@@](C)(C(=O)[O-])C1 ZINC000864181644 806391003 /nfs/dbraw/zinc/39/10/03/806391003.db2.gz RXBOKVCLUCMSBA-AMIZOPFISA-N -1 0 311.294 -0.961 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CSCN2C(C)=O)C1 ZINC000864170559 806391060 /nfs/dbraw/zinc/39/10/60/806391060.db2.gz PHIKZCFILREYOL-BXKDBHETSA-N -1 0 302.352 -0.390 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000864163759 806391403 /nfs/dbraw/zinc/39/14/03/806391403.db2.gz UVQNNAIWCXCXKX-VLWUPBBWSA-N -1 0 319.317 -0.613 20 0 DBADRM O=C([O-])COCCNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000864171660 806391433 /nfs/dbraw/zinc/39/14/33/806391433.db2.gz ASADGMLIUJEMMB-UWVGGRQHSA-N -1 0 312.322 -0.621 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2CSCN2C(C)=O)[C@](C)(C(=O)[O-])C1 ZINC000864181081 806391451 /nfs/dbraw/zinc/39/14/51/806391451.db2.gz IVVIOEXMQFHRAN-KWBADKCTSA-N -1 0 316.379 -0.002 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC000864208793 806392016 /nfs/dbraw/zinc/39/20/16/806392016.db2.gz LGAZMDVNLADXTP-DCJFZGGZSA-N -1 0 316.379 -0.220 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@@H]2CC3(CO2)CCOCC3)nn1 ZINC000864215991 806392099 /nfs/dbraw/zinc/39/20/99/806392099.db2.gz IMJQXOIBNHPTBF-JTQLQIEISA-N -1 0 324.337 -0.322 20 0 DBADRM CN1C(=O)C[C@@H](N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)C1=O ZINC000864350587 806394094 /nfs/dbraw/zinc/39/40/94/806394094.db2.gz GRXDMLGIEUUEDI-RDDDGLTNSA-N -1 0 307.272 -0.113 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000864495461 806395229 /nfs/dbraw/zinc/39/52/29/806395229.db2.gz HRHXGYJOALYXKP-GXFFZTMASA-N -1 0 316.379 -0.124 20 0 DBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1ccc(F)nc1F ZINC000864496160 806395692 /nfs/dbraw/zinc/39/56/92/806395692.db2.gz QGFOOTBFVVVBQZ-LURJTMIESA-N -1 0 308.262 -0.166 20 0 DBADRM O=C(Cn1cc(C[N-]C(=O)C(F)(F)F)nn1)N1CCOCC1 ZINC000864635469 806397705 /nfs/dbraw/zinc/39/77/05/806397705.db2.gz WAHOQDGCAOBCOP-UHFFFAOYSA-N -1 0 321.259 -0.685 20 0 DBADRM O=C(NCCCc1ccccc1)C(=O)NCc1nc(=O)o[n-]1 ZINC001319831672 806411539 /nfs/dbraw/zinc/41/15/39/806411539.db2.gz FYVUTPUNUTZKHX-UHFFFAOYSA-N -1 0 304.306 -0.272 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2ncc(C(N)=O)cc2Cl)C1=O ZINC001319920722 806418695 /nfs/dbraw/zinc/41/86/95/806418695.db2.gz QPTJEGPRBYVHDF-UHFFFAOYSA-N -1 0 311.685 -0.627 20 0 DBADRM CN(C(=O)CCc1nnn[n-]1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000865753193 806422475 /nfs/dbraw/zinc/42/24/75/806422475.db2.gz HKNDQPKYZMBXJM-SSDOTTSWSA-N -1 0 320.275 -0.246 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC001320032324 806431365 /nfs/dbraw/zinc/43/13/65/806431365.db2.gz WFTNVLDWKKONGR-ZJUUUORDSA-N -1 0 311.319 -0.776 20 0 DBADRM O=C(c1ccc2nc[nH]c2n1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001320113975 806440559 /nfs/dbraw/zinc/44/05/59/806440559.db2.gz RQXRAMVQSIJEDT-SECBINFHSA-N -1 0 300.282 -0.315 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1coc(C(N)=O)c1 ZINC001320168011 806444957 /nfs/dbraw/zinc/44/49/57/806444957.db2.gz YFENCHWVZDJHOK-UHFFFAOYSA-N -1 0 320.323 -0.899 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000866674853 806446642 /nfs/dbraw/zinc/44/66/42/806446642.db2.gz FLMXFVIVLAMOHF-NXEZZACHSA-N -1 0 311.429 -0.588 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CC(=O)N(C(C)C)C1 ZINC000866701219 806450505 /nfs/dbraw/zinc/45/05/05/806450505.db2.gz OANBZTAQZDTBGH-DYBLOJMWSA-N -1 0 311.429 -0.052 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000866674856 806447611 /nfs/dbraw/zinc/44/76/11/806447611.db2.gz FLMXFVIVLAMOHF-ZJUUUORDSA-N -1 0 311.429 -0.588 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCN(C(C)C)C1=O ZINC000866792126 806460633 /nfs/dbraw/zinc/46/06/33/806460633.db2.gz UHJNRLYTRXFBEV-YYSFKGJASA-N -1 0 311.429 -0.052 20 0 DBADRM CCN1CC[C@H]([N-]S(=O)(=O)N=S2(=O)CCCC2)C1=O ZINC000867240381 806483115 /nfs/dbraw/zinc/48/31/15/806483115.db2.gz DCAVMBOOVOKLMS-VIFPVBQESA-N -1 0 309.413 -0.297 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](CCOC)COC ZINC000867282872 806485073 /nfs/dbraw/zinc/48/50/73/806485073.db2.gz VISUNUKBKGQUFZ-VVVCHXIZSA-N -1 0 302.418 -0.010 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001320413864 806487911 /nfs/dbraw/zinc/48/79/11/806487911.db2.gz PUQZNXJDFIRNJD-UHFFFAOYSA-N -1 0 311.338 -0.552 20 0 DBADRM CCN1C[C@H]([N-]S(=O)(=O)N=S(=O)(CC)CC)CC1=O ZINC000867352892 806491463 /nfs/dbraw/zinc/49/14/63/806491463.db2.gz SFNJNXAXEUNFLL-SECBINFHSA-N -1 0 311.429 -0.051 20 0 DBADRM CN1C(=O)CN([N-]S(=O)(=O)c2cnn(CC(F)F)c2)C1=O ZINC001320752522 806524069 /nfs/dbraw/zinc/52/40/69/806524069.db2.gz MNRAELVRHFTQEK-UHFFFAOYSA-N -1 0 323.281 -0.765 20 0 DBADRM O=S(=O)(c1cc([O-])cc(F)c1)N1C[C@H](CO)[C@H](CO)C1 ZINC000867858142 806526956 /nfs/dbraw/zinc/52/69/56/806526956.db2.gz VDHALCXIYMNKHU-DTORHVGOSA-N -1 0 305.327 -0.247 20 0 DBADRM NC(=O)NCCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC001320785910 806529520 /nfs/dbraw/zinc/52/95/20/806529520.db2.gz MZXRGORGVAHEMO-SECBINFHSA-N -1 0 307.372 -0.550 20 0 DBADRM CN(CC(=O)[N-]OC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC001320908451 806541176 /nfs/dbraw/zinc/54/11/76/806541176.db2.gz SFRDXXLEMAXQMW-WDEREUQCSA-N -1 0 306.384 -0.810 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCC3(C2)OCCO3)C1 ZINC000868334352 806544524 /nfs/dbraw/zinc/54/45/24/806544524.db2.gz LQFQOLLCOFWLLE-JTQLQIEISA-N -1 0 312.322 -0.715 20 0 DBADRM Cc1ncncc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001320985096 806550240 /nfs/dbraw/zinc/55/02/40/806550240.db2.gz FCTLVERPSOYKST-NSCUHMNNSA-N -1 0 303.326 -0.315 20 0 DBADRM CCO[C@@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)[C@H]1CCOC1 ZINC000868441563 806556097 /nfs/dbraw/zinc/55/60/97/806556097.db2.gz WOHMCTCPFOFMLH-FUTJPDQTSA-N -1 0 313.350 -0.012 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC001321004240 806554811 /nfs/dbraw/zinc/55/48/11/806554811.db2.gz FZUFEZIEBVITRH-UHFFFAOYSA-N -1 0 319.321 -0.041 20 0 DBADRM O=C(Cc1cccnc1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001321025224 806558092 /nfs/dbraw/zinc/55/80/92/806558092.db2.gz QRUJRKVPIQYWKF-UPHRSURJSA-N -1 0 302.338 -0.090 20 0 DBADRM O=C(Cc1cccnc1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001321025223 806558582 /nfs/dbraw/zinc/55/85/82/806558582.db2.gz QRUJRKVPIQYWKF-OWOJBTEDSA-N -1 0 302.338 -0.090 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC001321144877 806580432 /nfs/dbraw/zinc/58/04/32/806580432.db2.gz KGVFKEDXXYOFRF-JTQLQIEISA-N -1 0 322.383 -0.400 20 0 DBADRM Cn1cc(C(=O)CCC(=O)NCCCc2n[nH]c(=O)[n-]2)cn1 ZINC001321234320 806592862 /nfs/dbraw/zinc/59/28/62/806592862.db2.gz YEIAHGKTJGMROE-UHFFFAOYSA-N -1 0 306.326 -0.044 20 0 DBADRM CS(=O)(=O)[N-]C(=O)Cn1ccc(Br)cc1=O ZINC000870111802 806596111 /nfs/dbraw/zinc/59/61/11/806596111.db2.gz XSBJDPLPBBHVLV-UHFFFAOYSA-N -1 0 309.141 -0.313 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000870199171 806597112 /nfs/dbraw/zinc/59/71/12/806597112.db2.gz IXVYUVDRJSLBBR-VHSXEESVSA-N -1 0 305.352 -0.332 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cnn(CC2CC2)c1 ZINC000870214447 806597233 /nfs/dbraw/zinc/59/72/33/806597233.db2.gz NDVLKCUDCNLTNW-UHFFFAOYSA-N -1 0 314.367 -0.400 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@]1(CC(C)C)CCNC1=O ZINC000870214325 806597355 /nfs/dbraw/zinc/59/73/55/806597355.db2.gz LIPACXQZAYHCSD-LBPRGKRZSA-N -1 0 305.400 -0.149 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)[C@H]1CCOC1 ZINC000870214300 806597380 /nfs/dbraw/zinc/59/73/80/806597380.db2.gz LDXFYZCCUOXQHH-QWRGUYRKSA-N -1 0 322.383 -0.879 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000870203560 806597523 /nfs/dbraw/zinc/59/75/23/806597523.db2.gz JMAVDDWIENVCQG-DCAQKATOSA-N -1 0 307.368 -0.337 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000870236494 806598297 /nfs/dbraw/zinc/59/82/97/806598297.db2.gz IUJQSFMEPSKZKL-NWDGAFQWSA-N -1 0 320.411 -0.012 20 0 DBADRM O=C([N-]CCOCCOC(=O)[C@H]1CCC(=O)O1)C(F)(F)F ZINC000870275248 806598738 /nfs/dbraw/zinc/59/87/38/806598738.db2.gz OHEVTJAYQDEICK-SSDOTTSWSA-N -1 0 313.228 -0.070 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)[N-]S(=O)(=O)C2CCC2)C[C@H]1C ZINC000870321023 806599773 /nfs/dbraw/zinc/59/97/73/806599773.db2.gz UDGPGNDLPDQNGF-SZEHBUNVSA-N -1 0 305.352 -0.049 20 0 DBADRM COCCn1ncc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)c1C ZINC000870321213 806599920 /nfs/dbraw/zinc/59/99/20/806599920.db2.gz VUGCQBONOYUPBW-VIFPVBQESA-N -1 0 319.383 -0.068 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000870351724 806599929 /nfs/dbraw/zinc/59/99/29/806599929.db2.gz ABJWEWXMYXPLER-RYUDHWBXSA-N -1 0 318.395 -0.130 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)[N-]S(=O)(=O)CC(F)F)C[C@H]1C ZINC000870475107 806600911 /nfs/dbraw/zinc/60/09/11/806600911.db2.gz MMOAHPBIAIBZJH-ATRFCDNQSA-N -1 0 315.294 -0.336 20 0 DBADRM CN(C)Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cnnn1C ZINC000870644401 806604161 /nfs/dbraw/zinc/60/41/61/806604161.db2.gz JLMMSOKVDJTMBL-UHFFFAOYSA-N -1 0 323.378 -0.005 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NC[C@@H](O)[C@H](C)O)c1 ZINC000871140680 806620753 /nfs/dbraw/zinc/62/07/53/806620753.db2.gz KZPOPLUJTYETIF-DYLYQXKESA-N -1 0 301.364 -0.339 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cccc(C(N)=O)c1OC ZINC001321416950 806623521 /nfs/dbraw/zinc/62/35/21/806623521.db2.gz VZPBLVUGALXMGQ-UHFFFAOYSA-N -1 0 311.294 -0.573 20 0 DBADRM CCn1cc(-c2nn(C)cc2C(=O)NCc2nc(=O)o[n-]2)cn1 ZINC001321516838 806634549 /nfs/dbraw/zinc/63/45/49/806634549.db2.gz NOAORUKOPQBUBL-UHFFFAOYSA-N -1 0 317.309 -0.090 20 0 DBADRM C[C@@H]1CN(c2cc(C(=O)[O-])ncn2)CCN1S(C)(=O)=O ZINC000871595077 806639818 /nfs/dbraw/zinc/63/98/18/806639818.db2.gz HWJDUUZFNLFDHX-MRVPVSSYSA-N -1 0 300.340 -0.355 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(c2cc(C(=O)[O-])ncn2)CC1 ZINC000871594893 806640193 /nfs/dbraw/zinc/64/01/93/806640193.db2.gz APCKNXIJMVEEMK-UHFFFAOYSA-N -1 0 315.355 -0.897 20 0 DBADRM O=C([O-])c1cc(N2CCN(S(=O)(=O)C3CC3)CC2)ncn1 ZINC000871595193 806640307 /nfs/dbraw/zinc/64/03/07/806640307.db2.gz OBZAKSSRLXXTLJ-UHFFFAOYSA-N -1 0 312.351 -0.211 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1c1cc(C(=O)[O-])ncn1 ZINC000871594283 806640722 /nfs/dbraw/zinc/64/07/22/806640722.db2.gz HHWVAAWNQBLNEB-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM CC1(C)CN(S(=O)(=O)C[C@@H]2CCOC2)[C@H](C(=O)[O-])CO1 ZINC000871742075 806641332 /nfs/dbraw/zinc/64/13/32/806641332.db2.gz JRNXYNUCZCMSPU-ZJUUUORDSA-N -1 0 307.368 -0.083 20 0 DBADRM COC1CCN(S(=O)(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)CC1 ZINC000871777607 806642313 /nfs/dbraw/zinc/64/23/13/806642313.db2.gz VSUJCHSHFQDJSY-GRYCIOLGSA-N -1 0 318.395 -0.006 20 0 DBADRM CCN(Cc1ccccc1)S(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC000871997085 806646807 /nfs/dbraw/zinc/64/68/07/806646807.db2.gz KKGJFDIODJZETN-UHFFFAOYSA-N -1 0 314.363 -0.115 20 0 DBADRM CN1C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC1=O ZINC000872443764 806657805 /nfs/dbraw/zinc/65/78/05/806657805.db2.gz AUNJNBZWVYALHS-CVJBHZAOSA-N -1 0 311.429 -0.052 20 0 DBADRM COC(=O)c1ccsc1NC(=O)C(=O)[N-]OCC(N)=O ZINC001321690638 806658571 /nfs/dbraw/zinc/65/85/71/806658571.db2.gz YPDHGHRMQOCIQT-UHFFFAOYSA-N -1 0 301.280 -0.994 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCC(=O)c1cnccn1 ZINC001321689101 806658664 /nfs/dbraw/zinc/65/86/64/806658664.db2.gz WGMWDEDNJZHXTF-UHFFFAOYSA-N -1 0 314.261 -0.713 20 0 DBADRM CC1(C)OC[C@@H]([C@@H]2CN(S(=O)(=O)c3ncc[n-]3)CCO2)O1 ZINC000872525617 806659097 /nfs/dbraw/zinc/65/90/97/806659097.db2.gz AJKCOPUAGANKMI-UWVGGRQHSA-N -1 0 317.367 -0.049 20 0 DBADRM O=C(c1ccc2nncn2c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001321695067 806659255 /nfs/dbraw/zinc/65/92/55/806659255.db2.gz QCGIHGMFHXWEGT-SECBINFHSA-N -1 0 300.282 -0.544 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)C(C)(C)SCC(=O)[O-] ZINC000872898620 806677370 /nfs/dbraw/zinc/67/73/70/806677370.db2.gz YADDBKQHIGNTDS-UHFFFAOYSA-N -1 0 318.395 -0.100 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)C(C)(C)SCC(=O)[O-])CCO1 ZINC000872935601 806679486 /nfs/dbraw/zinc/67/94/86/806679486.db2.gz UKTLYSZZIFYPTC-SNVBAGLBSA-N -1 0 318.395 -0.054 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C(C)C ZINC000873505217 806686513 /nfs/dbraw/zinc/68/65/13/806686513.db2.gz KTGFNWIFEQIWGS-UWVGGRQHSA-N -1 0 306.384 -0.133 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000873514161 806687525 /nfs/dbraw/zinc/68/75/25/806687525.db2.gz NFAZVBHPDYTMNX-LPEHRKFASA-N -1 0 305.352 -0.332 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H]2C(=O)OC)CC1 ZINC000873532351 806687807 /nfs/dbraw/zinc/68/78/07/806687807.db2.gz FYTGFWNJKAKVRT-BDAKNGLRSA-N -1 0 305.352 -0.189 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCCCn1ccnc1 ZINC001321967837 806693701 /nfs/dbraw/zinc/69/37/01/806693701.db2.gz RDCQXWKKCASBAI-GFCCVEGCSA-N -1 0 310.354 -0.136 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000874408430 806707088 /nfs/dbraw/zinc/70/70/88/806707088.db2.gz HVHVTPKDTFRTCW-JTQLQIEISA-N -1 0 302.327 -0.118 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)NCCOC[C@H]1CCCO1 ZINC001322149730 806715157 /nfs/dbraw/zinc/71/51/57/806715157.db2.gz NLWYJSXTXVTYEX-GFCCVEGCSA-N -1 0 316.354 -0.475 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1nc2c(s1)CCCC2 ZINC001322304513 806732630 /nfs/dbraw/zinc/73/26/30/806732630.db2.gz OIPNKQMIQRHDQL-UHFFFAOYSA-N -1 0 307.339 -0.210 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCn1ccc(C(F)(F)F)n1 ZINC000875842859 806767749 /nfs/dbraw/zinc/76/77/49/806767749.db2.gz OXGIFTYFFWIBDA-UHFFFAOYSA-N -1 0 324.259 -0.288 20 0 DBADRM Cn1ccc(S(=O)(=O)NN=c2[n-]ncc(N)c2Cl)n1 ZINC001322629757 806762273 /nfs/dbraw/zinc/76/22/73/806762273.db2.gz BEABVYCQYHONAY-UHFFFAOYSA-N -1 0 303.735 -0.249 20 0 DBADRM Cn1nccc1S(=O)(=O)NN=c1[n-]ncc(N)c1Cl ZINC001322629893 806762380 /nfs/dbraw/zinc/76/23/80/806762380.db2.gz HTLGGEYGGOBJBC-UHFFFAOYSA-N -1 0 303.735 -0.249 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(CCOC)C1CCOCC1 ZINC000875698597 806763228 /nfs/dbraw/zinc/76/32/28/806763228.db2.gz ULQBDPUZAQLRDT-UHFFFAOYSA-N -1 0 303.359 -0.109 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC001322898324 806796492 /nfs/dbraw/zinc/79/64/92/806796492.db2.gz HINZOBQEZQEEDH-MRVPVSSYSA-N -1 0 301.368 -0.723 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCOCC(F)(F)F ZINC001323016181 806812330 /nfs/dbraw/zinc/81/23/30/806812330.db2.gz VZXQSUSZHOVNNO-MRVPVSSYSA-N -1 0 314.260 -0.234 20 0 DBADRM O=C([N-]CCCNC(CO)(CO)C(F)(F)F)C(F)(F)F ZINC000878978216 806873194 /nfs/dbraw/zinc/87/31/94/806873194.db2.gz ISCMMFMRPZHOKI-UHFFFAOYSA-N -1 0 312.210 -0.070 20 0 DBADRM CC[C@@H](C)NC(=O)CCNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001323457657 806876227 /nfs/dbraw/zinc/87/62/27/806876227.db2.gz YNIDVMGXOHUCFF-SNVBAGLBSA-N -1 0 315.370 -0.366 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)[N-]OC1CCOCC1)C(F)(F)F ZINC001323493882 806880333 /nfs/dbraw/zinc/88/03/33/806880333.db2.gz CWLQGFFCSPIPGL-QMMMGPOBSA-N -1 0 314.260 -0.093 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCc1nnnn1C1CC1 ZINC001323563268 806887976 /nfs/dbraw/zinc/88/79/76/806887976.db2.gz NHJMHCLBYPOWBJ-UHFFFAOYSA-N -1 0 300.344 -0.965 20 0 DBADRM COCCn1[n-]c(C)c(C(=O)N[C@H](C)c2nncn2C)c1=O ZINC001323578000 806890520 /nfs/dbraw/zinc/89/05/20/806890520.db2.gz OKLAVPPNKRWMIY-ZJUUUORDSA-N -1 0 308.342 -0.527 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN([C@H]2CCC(=O)NC2=O)C1 ZINC000879764161 806901238 /nfs/dbraw/zinc/90/12/38/806901238.db2.gz RTYNMKDCYWVUHT-WRWORJQWSA-N -1 0 307.272 -0.066 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@H]1CCC[C@@H]1CCO ZINC001323705324 806905878 /nfs/dbraw/zinc/90/58/78/806905878.db2.gz YFWDTRHQWLOVIJ-UTUOFQBUSA-N -1 0 300.355 -0.262 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)[C@@H]1OC ZINC001323757865 806911473 /nfs/dbraw/zinc/91/14/73/806911473.db2.gz AMQIYCDBQUQHNU-KXNHARMFSA-N -1 0 316.354 -0.621 20 0 DBADRM O=C(CN1CC(=O)NCC12COC2)[N-]OCc1ccccc1 ZINC000880163014 806917996 /nfs/dbraw/zinc/91/79/96/806917996.db2.gz VPQRFJYWKRTFOA-UHFFFAOYSA-N -1 0 305.334 -0.565 20 0 DBADRM Cn1nnc2ccc(C(=O)N3CCO[C@H](c4nnn[n-]4)C3)cc21 ZINC001323812264 806918012 /nfs/dbraw/zinc/91/80/12/806918012.db2.gz VWJLMCCSXPHSKG-NSHDSACASA-N -1 0 314.309 -0.305 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC001323827893 806919666 /nfs/dbraw/zinc/91/96/66/806919666.db2.gz QZTKEPNTYRPPRP-UHFFFAOYSA-N -1 0 313.285 -0.053 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC000880387489 806922392 /nfs/dbraw/zinc/92/23/92/806922392.db2.gz ARNGAODZIHJBGG-SSDOTTSWSA-N -1 0 300.340 -0.367 20 0 DBADRM Cc1ccnc2nc(C(=O)N(C)C[C@@H](C)c3nnn[n-]3)nn21 ZINC001323860350 806923183 /nfs/dbraw/zinc/92/31/83/806923183.db2.gz UAVGCDNPGZOBNP-SSDOTTSWSA-N -1 0 301.314 -0.178 20 0 DBADRM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000880770170 806935804 /nfs/dbraw/zinc/93/58/04/806935804.db2.gz GCOUMJOOGOHMEV-RQJHMYQMSA-N -1 0 320.275 -0.261 20 0 DBADRM CCOCCNC(=O)Cn1cc(C[N-]C(=O)C(F)(F)F)nn1 ZINC000881330445 806940792 /nfs/dbraw/zinc/94/07/92/806940792.db2.gz PFTAFRVSNQVEDD-UHFFFAOYSA-N -1 0 323.275 -0.391 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc(C(N)=O)n2)C1=O ZINC001324063556 806941531 /nfs/dbraw/zinc/94/15/31/806941531.db2.gz VLWCAQKXTZHDHY-ZDUSSCGKSA-N -1 0 305.294 -0.454 20 0 DBADRM NC(=O)CCCCC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC001324192353 806950838 /nfs/dbraw/zinc/95/08/38/806950838.db2.gz IHPQNZCGRAUOLK-UHFFFAOYSA-N -1 0 314.367 -0.320 20 0 DBADRM NC(=O)COc1ccc(NC(=O)C(=O)[N-]OCC2CC2)cc1 ZINC001324312092 806962280 /nfs/dbraw/zinc/96/22/80/806962280.db2.gz KATAEDXPFRWRKY-UHFFFAOYSA-N -1 0 307.306 -0.053 20 0 DBADRM CC[C@H](NS(=O)(=O)N=[S@@](C)(=O)N(C)C)[C@H](O)C(F)F ZINC000882229865 806972274 /nfs/dbraw/zinc/97/22/74/806972274.db2.gz KKXVESNTVDFAIB-FHHFXDHISA-N -1 0 323.387 -0.200 20 0 DBADRM CC(=O)c1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1C ZINC001324481114 806978630 /nfs/dbraw/zinc/97/86/30/806978630.db2.gz CIGXOLLEEZTIAE-UHFFFAOYSA-N -1 0 302.294 -0.034 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cccc(C(=O)NC)n2)C1=O ZINC001324696081 807001581 /nfs/dbraw/zinc/00/15/81/807001581.db2.gz LXFWJYAURFUNRA-CQSZACIVSA-N -1 0 319.321 -0.194 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CC(=O)N(CC2CC2)C1 ZINC000882858144 807003841 /nfs/dbraw/zinc/00/38/41/807003841.db2.gz ABPWTAJLZARESX-OVWNDWIMSA-N -1 0 323.440 -0.051 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(CC(C)(C)C)C2 ZINC001278104387 803755367 /nfs/dbraw/zinc/75/53/67/803755367.db2.gz NAAAVSPTUURSNS-UHFFFAOYSA-N -1 0 304.358 -0.031 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000035219823 803759263 /nfs/dbraw/zinc/75/92/63/803759263.db2.gz HNHDMIFUPIXVBQ-LURJTMIESA-N -1 0 321.742 -0.268 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000036813431 803759388 /nfs/dbraw/zinc/75/93/88/803759388.db2.gz JUVJKJJODYUSCM-RXMQYKEDSA-N -1 0 307.715 -0.658 20 0 DBADRM CC[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000040537226 803762254 /nfs/dbraw/zinc/76/22/54/803762254.db2.gz WCNQFXQXJRYTLU-JTQLQIEISA-N -1 0 315.351 -0.004 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(CCC1CC1)C2 ZINC001278195800 803766095 /nfs/dbraw/zinc/76/60/95/803766095.db2.gz GHHPXZDORQSEBA-UHFFFAOYSA-N -1 0 302.342 -0.277 20 0 DBADRM O=C(Cn1nc2ccccn2c1=O)N[N-]C(=O)c1ccccn1 ZINC000043075333 803766584 /nfs/dbraw/zinc/76/65/84/803766584.db2.gz JGGWINZGJXFPBI-UHFFFAOYSA-N -1 0 312.289 -0.648 20 0 DBADRM CCc1ncc(C(=O)[N-]NC(=O)[C@H]2CCS(=O)(=O)C2)s1 ZINC000049157584 803776578 /nfs/dbraw/zinc/77/65/78/803776578.db2.gz MWPLYYMQESGAFW-ZETCQYMHSA-N -1 0 317.392 -0.099 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@@H](CC)C(=O)[O-] ZINC000087498391 803799942 /nfs/dbraw/zinc/79/99/42/803799942.db2.gz SHUPNPGMKQFDQK-NXEZZACHSA-N -1 0 322.383 -0.041 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H](O)CO)ccc1Cl ZINC000090283381 803800352 /nfs/dbraw/zinc/80/03/52/803800352.db2.gz QHISRBIKOMYOIR-ZCFIWIBFSA-N -1 0 309.727 -0.330 20 0 DBADRM C[C@](O)(CNC(=O)CCNC(=O)c1ccsc1)C(=O)[O-] ZINC000090276267 803800654 /nfs/dbraw/zinc/80/06/54/803800654.db2.gz KBOZLXXLIKFCAZ-LBPRGKRZSA-N -1 0 300.336 -0.180 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)[O-] ZINC000090275734 803800816 /nfs/dbraw/zinc/80/08/16/803800816.db2.gz SQQUPHPXWCBNBH-QILRFPOHSA-N -1 0 302.352 -0.608 20 0 DBADRM C[C@@](O)(CNC(=O)CCNC(=O)c1ccsc1)C(=O)[O-] ZINC000090276266 803800911 /nfs/dbraw/zinc/80/09/11/803800911.db2.gz KBOZLXXLIKFCAZ-GFCCVEGCSA-N -1 0 300.336 -0.180 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)cn1 ZINC000111800922 803807005 /nfs/dbraw/zinc/80/70/05/803807005.db2.gz LLLQSEPFURXBQN-UHFFFAOYSA-N -1 0 303.340 -0.326 20 0 DBADRM CN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000132045429 803814666 /nfs/dbraw/zinc/81/46/66/803814666.db2.gz ASZOIXQFOAVPSX-UHFFFAOYSA-N -1 0 308.262 -0.231 20 0 DBADRM CC[S@@](=O)CCNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000132154936 803814729 /nfs/dbraw/zinc/81/47/29/803814729.db2.gz SQUCHYOFTUUNQO-KRWDZBQOSA-N -1 0 312.394 -0.112 20 0 DBADRM CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000141183762 803819023 /nfs/dbraw/zinc/81/90/23/803819023.db2.gz HBPNBHYQSJRBDY-MRVPVSSYSA-N -1 0 315.351 -0.305 20 0 DBADRM CCC(=O)N1CCCC[C@H]1C(=O)NNc1nc(=O)c(C)n[n-]1 ZINC000141440493 803819044 /nfs/dbraw/zinc/81/90/44/803819044.db2.gz JLYODUXFDJVFOD-VIFPVBQESA-N -1 0 308.342 -0.292 20 0 DBADRM COC[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000158804866 803822174 /nfs/dbraw/zinc/82/21/74/803822174.db2.gz HWBMMEVCKUOHFN-SECBINFHSA-N -1 0 317.323 -0.445 20 0 DBADRM O=C(CCCCc1c[nH]nn1)[N-]S(=O)(=O)N1CCCC1 ZINC000192555845 803827814 /nfs/dbraw/zinc/82/78/14/803827814.db2.gz BTYSKVKMJNQTNI-UHFFFAOYSA-N -1 0 301.372 -0.026 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H](C)N(C)CC(F)(F)F ZINC000194933947 803828670 /nfs/dbraw/zinc/82/86/70/803828670.db2.gz HODKKYZSWIUQFK-SSDOTTSWSA-N -1 0 306.306 -0.039 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)CCS(C)(=O)=O)[C@H]1C(=O)[O-] ZINC000300271322 803836665 /nfs/dbraw/zinc/83/66/65/803836665.db2.gz IOVQFFLMGZYBTL-RKDXNWHRSA-N -1 0 313.397 -0.454 20 0 DBADRM Cc1c[nH]c(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)n1 ZINC001035537682 814969958 /nfs/dbraw/zinc/96/99/58/814969958.db2.gz IJVLNBPGSCBIHH-SECBINFHSA-N -1 0 321.341 -0.827 20 0 DBADRM CCCSCC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001278844548 803844935 /nfs/dbraw/zinc/84/49/35/803844935.db2.gz ZPGVRILICSPTFT-UHFFFAOYSA-N -1 0 315.399 -0.684 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCn2cncn2)ccc1O ZINC000382030142 803853046 /nfs/dbraw/zinc/85/30/46/803853046.db2.gz REEHXEXKLBFZAW-UHFFFAOYSA-N -1 0 312.307 -0.340 20 0 DBADRM NC(=O)C1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000381975475 803853089 /nfs/dbraw/zinc/85/30/89/803853089.db2.gz VWQBGNYFODOEHI-UHFFFAOYSA-N -1 0 302.283 -0.370 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000381862870 803853422 /nfs/dbraw/zinc/85/34/22/803853422.db2.gz RLSSPCUJXRTGAM-LLVKDONJSA-N -1 0 300.384 -0.105 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000386550604 803855910 /nfs/dbraw/zinc/85/59/10/803855910.db2.gz LWAZYJZNJAXOFA-MEBBXXQBSA-N -1 0 310.350 -0.175 20 0 DBADRM Cn1ncc(CNS(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000389819357 803858595 /nfs/dbraw/zinc/85/85/95/803858595.db2.gz YFBLSRPOWOLZRB-UHFFFAOYSA-N -1 0 310.335 -0.079 20 0 DBADRM CN(C)c1cc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)ccn1 ZINC000396642110 803861076 /nfs/dbraw/zinc/86/10/76/803861076.db2.gz JXQSYNLWZHUICW-UHFFFAOYSA-N -1 0 306.322 -0.483 20 0 DBADRM CC(C)OCCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000396705565 803861947 /nfs/dbraw/zinc/86/19/47/803861947.db2.gz KPKSJGWKXQBXMG-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2CC[C@H](O)[C@H](CO)C2)c1 ZINC000396894507 803862046 /nfs/dbraw/zinc/86/20/46/803862046.db2.gz RXYUOVNJBPKZFY-JQWIXIFHSA-N -1 0 315.347 -0.251 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2COc3ccccc32)CC1 ZINC000396689539 803862114 /nfs/dbraw/zinc/86/21/14/803862114.db2.gz BJRZAESCXVXNPX-NSHDSACASA-N -1 0 304.302 -0.082 20 0 DBADRM COC[C@@H](NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C(C)C ZINC000396774343 803862524 /nfs/dbraw/zinc/86/25/24/803862524.db2.gz WDZBXBFRUFGRDW-SNVBAGLBSA-N -1 0 301.343 -0.404 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CS1 ZINC000397881436 803863338 /nfs/dbraw/zinc/86/33/38/803863338.db2.gz KQNHSAKYDPSWSX-RKDXNWHRSA-N -1 0 301.368 -0.181 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)NC[C@H]2CNC(=O)C2)c1 ZINC000398340446 803863444 /nfs/dbraw/zinc/86/34/44/803863444.db2.gz DGGLEPUTVARFNF-SSDOTTSWSA-N -1 0 316.310 -0.062 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)CCS(C)(=O)=O ZINC000397085571 803863493 /nfs/dbraw/zinc/86/34/93/803863493.db2.gz ITEQRAPMYJHPKF-DTWKUNHWSA-N -1 0 313.397 -0.454 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCOC[C@@H](O)C2)ccc1O ZINC000399972570 803864137 /nfs/dbraw/zinc/86/41/37/803864137.db2.gz YTHQVTNTNOKIJW-QMMMGPOBSA-N -1 0 317.319 -0.528 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000398668347 803864225 /nfs/dbraw/zinc/86/42/25/803864225.db2.gz CZGODRFAXIKHCJ-ZJUUUORDSA-N -1 0 321.399 -0.322 20 0 DBADRM CC(C)(C)C[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000401507704 803864847 /nfs/dbraw/zinc/86/48/47/803864847.db2.gz FKDRBGQJTQLIRP-QMMMGPOBSA-N -1 0 315.413 -0.160 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@@H]1C[C@H]1C1CC1 ZINC001035544002 814972869 /nfs/dbraw/zinc/97/28/69/814972869.db2.gz XRJVRBSFUBLXCI-GRYCIOLGSA-N -1 0 321.381 -0.127 20 0 DBADRM Cc1csc(=O)n1CCC(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000647782264 803895711 /nfs/dbraw/zinc/89/57/11/803895711.db2.gz CHFVSDQXJYHPII-UHFFFAOYSA-N -1 0 311.323 -0.077 20 0 DBADRM COc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cc1Cl ZINC000650386761 803897392 /nfs/dbraw/zinc/89/73/92/803897392.db2.gz JVJOAZWDHCSLDG-YLWLKBPMSA-N -1 0 324.742 -0.144 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-] ZINC000650421283 803898423 /nfs/dbraw/zinc/89/84/23/803898423.db2.gz UISBHHIBJPCGAZ-SSDOTTSWSA-N -1 0 304.328 -0.932 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)CCc1cccs1)C(=O)[O-] ZINC000650392444 803898987 /nfs/dbraw/zinc/89/89/87/803898987.db2.gz HKJOWOVMKSBRKX-VIFPVBQESA-N -1 0 320.392 -0.071 20 0 DBADRM CC[C@@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000690659486 803907147 /nfs/dbraw/zinc/90/71/47/803907147.db2.gz MWYHMESMIKILOL-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM CS(=O)(=O)N1CCCN(c2cc(C(=O)[O-])ncn2)CC1 ZINC000703151509 803916016 /nfs/dbraw/zinc/91/60/16/803916016.db2.gz GVXDCEHWYPLMFS-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000706427187 803917176 /nfs/dbraw/zinc/91/71/76/803917176.db2.gz ACIMTMMSUQSCLF-UHFFFAOYSA-N -1 0 311.237 -0.076 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC000713527348 803921572 /nfs/dbraw/zinc/92/15/72/803921572.db2.gz HTTZVHSINUHBKM-ZCFIWIBFSA-N -1 0 321.323 -0.845 20 0 DBADRM CO[C@]1(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCSC1 ZINC000719241311 803925752 /nfs/dbraw/zinc/92/57/52/803925752.db2.gz OZLXQUCVKHALMA-ONGXEEELSA-N -1 0 324.424 -0.108 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1cn(C)nc1Br ZINC000720660749 803927641 /nfs/dbraw/zinc/92/76/41/803927641.db2.gz LMTYBFLUHJNBQO-ZCFIWIBFSA-N -1 0 306.116 -0.102 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000737268900 803933276 /nfs/dbraw/zinc/93/32/76/803933276.db2.gz VPLQXZYIKGTNIS-UHFFFAOYSA-N -1 0 313.281 -0.965 20 0 DBADRM Cc1nn(C)c(Cl)c1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000738375527 803937469 /nfs/dbraw/zinc/93/74/69/803937469.db2.gz JGWAYTSOCFEFDI-UHFFFAOYSA-N -1 0 314.729 -0.249 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CN1CC[C@@H](CNC(=O)[O-])C1 ZINC000738700283 803938263 /nfs/dbraw/zinc/93/82/63/803938263.db2.gz JPSWVICVHSQWJQ-JTQLQIEISA-N -1 0 314.386 -0.393 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cc2ccc3c(c2)OCO3)CC1 ZINC000738517571 803938829 /nfs/dbraw/zinc/93/88/29/803938829.db2.gz SQUSVRLFQKDRII-UHFFFAOYSA-N -1 0 320.301 -0.287 20 0 DBADRM COCCN(CC(=O)N[C@@H]1CCCN(C(=O)OC)C1)C(=O)[O-] ZINC000739817210 803942435 /nfs/dbraw/zinc/94/24/35/803942435.db2.gz CRICMCSKALIWTL-SNVBAGLBSA-N -1 0 317.342 -0.040 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000740029239 803943467 /nfs/dbraw/zinc/94/34/67/803943467.db2.gz ANWACQBLMJQQBK-QMMMGPOBSA-N -1 0 321.337 -0.012 20 0 DBADRM CS(=O)(=O)CCCNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739981717 803943537 /nfs/dbraw/zinc/94/35/37/803943537.db2.gz CKOFMFGAZNMESV-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1cc(=O)[nH][n-]1 ZINC000740142677 803944350 /nfs/dbraw/zinc/94/43/50/803944350.db2.gz VJSXSDUQMLBOPR-SECBINFHSA-N -1 0 314.301 -0.294 20 0 DBADRM Cn1c(=O)ccn(CC(=O)OC[C@@H]2CCN(C(=O)[O-])C2)c1=O ZINC000740274970 803946102 /nfs/dbraw/zinc/94/61/02/803946102.db2.gz DZWWWBBXVCVWHO-SECBINFHSA-N -1 0 311.294 -0.910 20 0 DBADRM C[C@@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)Cn1ccnc1 ZINC000740727317 803947005 /nfs/dbraw/zinc/94/70/05/803947005.db2.gz LOQXLSZETCTRNW-JTQLQIEISA-N -1 0 315.337 -0.280 20 0 DBADRM COC(=O)CCNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC000741746017 803962140 /nfs/dbraw/zinc/96/21/40/803962140.db2.gz SKRUMAXXLJFXPG-UHFFFAOYSA-N -1 0 319.321 -0.135 20 0 DBADRM CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1cc(=O)[nH][n-]1 ZINC000743415513 803980322 /nfs/dbraw/zinc/98/03/22/803980322.db2.gz DOTPNAVXODTEPQ-SNVBAGLBSA-N -1 0 313.354 -0.073 20 0 DBADRM CC[C@@H](C)[C@](C)(O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000743483088 803980372 /nfs/dbraw/zinc/98/03/72/803980372.db2.gz XEKNNCZFCKESEY-YMTOWFKASA-N -1 0 307.354 -0.016 20 0 DBADRM CC(C)[C@H](CCN(C)C(=O)CC(N)=O)NC(=O)c1cn[nH]n1 ZINC001280570096 803981778 /nfs/dbraw/zinc/98/17/78/803981778.db2.gz BKRLEXHDFDUNKP-VIFPVBQESA-N -1 0 310.358 -0.717 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000743494940 803981894 /nfs/dbraw/zinc/98/18/94/803981894.db2.gz PNBHIJQPHKTADW-VIFPVBQESA-N -1 0 312.413 -0.345 20 0 DBADRM Cc1nsc(N2CCCN(C(=O)c3cc(=O)[nH][n-]3)CC2)n1 ZINC000743754068 803984302 /nfs/dbraw/zinc/98/43/02/803984302.db2.gz YFGKZQOLHOLVSE-UHFFFAOYSA-N -1 0 308.367 -0.239 20 0 DBADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000744001719 803985094 /nfs/dbraw/zinc/98/50/94/803985094.db2.gz HSJZPJJFYLYMJZ-UHFFFAOYSA-N -1 0 323.334 -0.809 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2=COCC2)s1 ZINC000744128234 803987191 /nfs/dbraw/zinc/98/71/91/803987191.db2.gz DQSITOXCEAYDGL-UHFFFAOYSA-N -1 0 302.333 -0.044 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000744241770 803988204 /nfs/dbraw/zinc/98/82/04/803988204.db2.gz NQIWGJYODPZQBX-LLVKDONJSA-N -1 0 317.411 -0.052 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(CNC(N)=O)cc1 ZINC000744241846 803988432 /nfs/dbraw/zinc/98/84/32/803988432.db2.gz NVYXLHBVIWTHJE-UHFFFAOYSA-N -1 0 314.367 -0.219 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)c(=O)[nH]c1=O ZINC000744265088 803988537 /nfs/dbraw/zinc/98/85/37/803988537.db2.gz GKPWAMQKKBYURH-UHFFFAOYSA-N -1 0 315.229 -0.892 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cn(Cc2ccccn2)nn1 ZINC000744237942 803988655 /nfs/dbraw/zinc/98/86/55/803988655.db2.gz BCAXHGOWSFCHDN-UHFFFAOYSA-N -1 0 324.366 -0.352 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)Cn1c(=O)cnc2ccccc21 ZINC000744238378 803988664 /nfs/dbraw/zinc/98/86/64/803988664.db2.gz IMUWJWAQLHFAOZ-UHFFFAOYSA-N -1 0 324.362 -0.291 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000744240727 803988829 /nfs/dbraw/zinc/98/88/29/803988829.db2.gz PIUQELISVOQVMD-UHFFFAOYSA-N -1 0 313.335 -0.056 20 0 DBADRM C=CC(=O)NCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000746018908 804008755 /nfs/dbraw/zinc/00/87/55/804008755.db2.gz JHCYIFZHRHWVLS-UHFFFAOYSA-N -1 0 317.305 -0.224 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C1 ZINC000747118710 804024645 /nfs/dbraw/zinc/02/46/45/804024645.db2.gz PDKUROPOBMQYJW-JQWIXIFHSA-N -1 0 304.368 -0.520 20 0 DBADRM O=C([N-]S(=O)(=O)CCCF)[C@@]12CCC(=O)N1CCS2 ZINC000747133470 804024721 /nfs/dbraw/zinc/02/47/21/804024721.db2.gz VEDGULBIORCEDF-JTQLQIEISA-N -1 0 310.372 -0.143 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000747473550 804028425 /nfs/dbraw/zinc/02/84/25/804028425.db2.gz HFFABFJJPIQYPZ-WCBMZHEXSA-N -1 0 324.366 -0.657 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000747469872 804029005 /nfs/dbraw/zinc/02/90/05/804029005.db2.gz IZQJFFASGZRDOH-NSHDSACASA-N -1 0 324.366 -0.655 20 0 DBADRM Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747752349 804031479 /nfs/dbraw/zinc/03/14/79/804031479.db2.gz QCBXYGZXGGNASE-UHFFFAOYSA-N -1 0 303.340 -0.473 20 0 DBADRM COC(=O)/C(C)=C/COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000748182147 804036916 /nfs/dbraw/zinc/03/69/16/804036916.db2.gz ANYACISDWXGOLJ-FPYGCLRLSA-N -1 0 306.278 -0.266 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000748298535 804037911 /nfs/dbraw/zinc/03/79/11/804037911.db2.gz XBHMSGJVJMNFKB-OCCSQVGLSA-N -1 0 315.329 -0.299 20 0 DBADRM COCCO[N-]C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000748770542 804043552 /nfs/dbraw/zinc/04/35/52/804043552.db2.gz YOVHFRGMRHOSLI-LBPRGKRZSA-N -1 0 324.312 -0.060 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)C2(C(=O)NC)CCC2)cn1 ZINC000749216251 804047313 /nfs/dbraw/zinc/04/73/13/804047313.db2.gz GPVOJXFZOFDXJS-UHFFFAOYSA-N -1 0 314.367 -0.376 20 0 DBADRM NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000749187037 804047852 /nfs/dbraw/zinc/04/78/52/804047852.db2.gz XGGWZPQKFGEGLN-SCZZXKLOSA-N -1 0 318.337 -0.769 20 0 DBADRM CC1N=NC(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)=C1[O-] ZINC000749238983 804047871 /nfs/dbraw/zinc/04/78/71/804047871.db2.gz BZXIWYSNJRTSDZ-UHFFFAOYSA-N -1 0 313.339 -0.083 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cnn2ccccc12 ZINC000750727123 804064856 /nfs/dbraw/zinc/06/48/56/804064856.db2.gz UKEGCSURHVDWMO-UHFFFAOYSA-N -1 0 310.335 -0.359 20 0 DBADRM CCOC(=O)C1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CCC1 ZINC000751926604 804081557 /nfs/dbraw/zinc/08/15/57/804081557.db2.gz BCPKDANISLVAFY-VIFPVBQESA-N -1 0 309.326 -0.167 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)NCc3ccon3)cc-2c(=O)[n-]1 ZINC000752254413 804086291 /nfs/dbraw/zinc/08/62/91/804086291.db2.gz SBYYCZBOKNHBFK-UHFFFAOYSA-N -1 0 323.290 -0.098 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC000752338856 804086742 /nfs/dbraw/zinc/08/67/42/804086742.db2.gz SHMNZCJNLCNWPK-JTQLQIEISA-N -1 0 305.294 -0.861 20 0 DBADRM CC[C@H](C)OCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000752470352 804089752 /nfs/dbraw/zinc/08/97/52/804089752.db2.gz DRIZXUUVTXEWGB-QMMMGPOBSA-N -1 0 317.367 -0.256 20 0 DBADRM COC(=O)[C@]1(F)CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000752675846 804092659 /nfs/dbraw/zinc/09/26/59/804092659.db2.gz LWGPZKSPMMGAQO-ZDUSSCGKSA-N -1 0 323.284 -0.815 20 0 DBADRM O=C(CCOC1CCOCC1)[N-]S(=O)(=O)N1CCOCC1 ZINC000753408459 804101004 /nfs/dbraw/zinc/10/10/04/804101004.db2.gz GWBDRMCJYFEPCP-UHFFFAOYSA-N -1 0 322.383 -0.735 20 0 DBADRM Cc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)ccc1-n1cncn1 ZINC000753949802 804113869 /nfs/dbraw/zinc/11/38/69/804113869.db2.gz HFCBJEUOBIPDOS-UHFFFAOYSA-N -1 0 323.334 -0.879 20 0 DBADRM COc1cc(OC)cc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000753949805 804114368 /nfs/dbraw/zinc/11/43/68/804114368.db2.gz HJDPLDYKEOWKQW-UHFFFAOYSA-N -1 0 302.308 -0.751 20 0 DBADRM COc1cc(C)cnc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000753980141 804114482 /nfs/dbraw/zinc/11/44/82/804114482.db2.gz YWTAZSYZIWEGJJ-UHFFFAOYSA-N -1 0 315.351 -0.295 20 0 DBADRM COc1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)ncn1 ZINC000754353171 804120567 /nfs/dbraw/zinc/12/05/67/804120567.db2.gz HYXHXCIPTBKQNR-UHFFFAOYSA-N -1 0 301.266 -0.492 20 0 DBADRM CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2cc(=O)[nH][n-]2)cn1 ZINC000754445395 804121350 /nfs/dbraw/zinc/12/13/50/804121350.db2.gz DBFMHXPXCLDQNT-SAHAZLINSA-N -1 0 323.378 -0.589 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCOC[C@]12CCOC2 ZINC001465112373 804121767 /nfs/dbraw/zinc/12/17/67/804121767.db2.gz LIOCWNVDCDNBBE-JFGNBEQYSA-N -1 0 305.352 -0.329 20 0 DBADRM CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2cc(=O)[nH][n-]2)cn1 ZINC000754445400 804122102 /nfs/dbraw/zinc/12/21/02/804122102.db2.gz DBFMHXPXCLDQNT-XFNZEKPQSA-N -1 0 323.378 -0.589 20 0 DBADRM O=C(Cc1nc2ncccn2n1)[N-]S(=O)(=O)CC1CCC1 ZINC000755115384 804132468 /nfs/dbraw/zinc/13/24/68/804132468.db2.gz HIPNWZNZSWJTRG-UHFFFAOYSA-N -1 0 309.351 -0.087 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)CC1CCC1 ZINC000755116138 804132654 /nfs/dbraw/zinc/13/26/54/804132654.db2.gz NFZYMXRXFPBFFF-UHFFFAOYSA-N -1 0 324.424 -0.342 20 0 DBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)s1 ZINC000755871612 804141449 /nfs/dbraw/zinc/14/14/49/804141449.db2.gz APIYTWSDNVOHEQ-SSDOTTSWSA-N -1 0 303.365 -0.265 20 0 DBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)s1 ZINC000755873230 804141793 /nfs/dbraw/zinc/14/17/93/804141793.db2.gz KTPCAWHAUKWIOT-ZETCQYMHSA-N -1 0 303.365 -0.217 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000756218006 804145794 /nfs/dbraw/zinc/14/57/94/804145794.db2.gz UECQNAWPEOZCPL-UHFFFAOYSA-N -1 0 308.319 -0.362 20 0 DBADRM COC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000756217038 804146419 /nfs/dbraw/zinc/14/64/19/804146419.db2.gz HYWWAOGWSBIZML-QMMMGPOBSA-N -1 0 317.367 -0.399 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C ZINC000756280979 804147821 /nfs/dbraw/zinc/14/78/21/804147821.db2.gz DAEQVCJQDMKANR-SSDOTTSWSA-N -1 0 303.340 -0.782 20 0 DBADRM C[C@@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)C1CCOCC1 ZINC000756567850 804151477 /nfs/dbraw/zinc/15/14/77/804151477.db2.gz ONSVCNRHYFSHBV-SNVBAGLBSA-N -1 0 306.384 -0.258 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)C1CCOCC1 ZINC000756575144 804152376 /nfs/dbraw/zinc/15/23/76/804152376.db2.gz VBLIXKJTSPEEEY-SNVBAGLBSA-N -1 0 308.400 -0.012 20 0 DBADRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000757317187 804161284 /nfs/dbraw/zinc/16/12/84/804161284.db2.gz QPWBNAGTXWSMEE-UHFFFAOYSA-N -1 0 323.415 -0.378 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000757333191 804162116 /nfs/dbraw/zinc/16/21/16/804162116.db2.gz VKJTVPUGXWNBSS-UHFFFAOYSA-N -1 0 311.360 -0.938 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)cc1 ZINC000757332618 804162157 /nfs/dbraw/zinc/16/21/57/804162157.db2.gz AMLGJZMRZNKRCD-UHFFFAOYSA-N -1 0 315.351 -0.662 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCNC(=O)C(C)(C)C ZINC000757335535 804163529 /nfs/dbraw/zinc/16/35/29/804163529.db2.gz PYEWRVQCAIMJIU-UHFFFAOYSA-N -1 0 323.415 -0.522 20 0 DBADRM O=C([C@@H]1CCCc2n[nH]cc21)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000758220615 804175789 /nfs/dbraw/zinc/17/57/89/804175789.db2.gz JIGCUIOSCJHCSJ-LDYMZIIASA-N -1 0 303.326 -0.057 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)OC ZINC000758525315 804189043 /nfs/dbraw/zinc/18/90/43/804189043.db2.gz MDVDNPGMPKKEOQ-MRVPVSSYSA-N -1 0 309.340 -0.415 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnccn1)c1cnn2cccnc12 ZINC000758580378 804190237 /nfs/dbraw/zinc/19/02/37/804190237.db2.gz WVFCESYUFCCWQG-UHFFFAOYSA-N -1 0 304.291 -0.362 20 0 DBADRM O=C(CCOC[C@@H]1CCCO1)[N-]S(=O)(=O)c1cnccn1 ZINC000758562155 804190968 /nfs/dbraw/zinc/19/09/68/804190968.db2.gz NSDDYSUYXAGBAU-JTQLQIEISA-N -1 0 315.351 -0.133 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc(C)ccn1 ZINC000759347091 804202030 /nfs/dbraw/zinc/20/20/30/804202030.db2.gz QDMSYQHORTZZLI-UHFFFAOYSA-N -1 0 315.351 -0.700 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000759391337 804203002 /nfs/dbraw/zinc/20/30/02/804203002.db2.gz AGLYNCXLDZMYNS-UHFFFAOYSA-N -1 0 306.262 -0.901 20 0 DBADRM COCCCC(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759521272 804203895 /nfs/dbraw/zinc/20/38/95/804203895.db2.gz ROWBDAFOTUBPHH-UHFFFAOYSA-N -1 0 322.368 -0.272 20 0 DBADRM CC[C@H](C[C@H](C)CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000759572433 804205035 /nfs/dbraw/zinc/20/50/35/804205035.db2.gz ZVKWRLHSHGBCMC-VHSXEESVSA-N -1 0 307.354 -0.016 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000759827950 804209777 /nfs/dbraw/zinc/20/97/77/804209777.db2.gz DRAFBDWEGYFOEJ-UHFFFAOYSA-N -1 0 315.351 -0.189 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)cn1 ZINC000759827892 804209811 /nfs/dbraw/zinc/20/98/11/804209811.db2.gz BOSSKFONOKHPIA-VIFPVBQESA-N -1 0 302.308 -0.690 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)c2nnn(C)c2C)cn1 ZINC000759832579 804210224 /nfs/dbraw/zinc/21/02/24/804210224.db2.gz MGDAMISUFUZTHM-UHFFFAOYSA-N -1 0 311.323 -0.354 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)co1 ZINC000760273616 804222842 /nfs/dbraw/zinc/22/28/42/804222842.db2.gz BXPSTEUHINJPHN-QMMMGPOBSA-N -1 0 302.308 -0.383 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1coc(C(N)=O)c1 ZINC000760221685 804222851 /nfs/dbraw/zinc/22/28/51/804222851.db2.gz XTNCUDWMSUXVFA-UHFFFAOYSA-N -1 0 318.307 -0.609 20 0 DBADRM COc1ccccc1CS(=O)(=O)[N-]C(=O)CS(C)(=O)=O ZINC000760347417 804224759 /nfs/dbraw/zinc/22/47/59/804224759.db2.gz ASKUWUQZQBLUJL-UHFFFAOYSA-N -1 0 321.376 -0.314 20 0 DBADRM CN(C[C@H](O)COCc1ccccc1)C(=O)c1cc(=O)[nH][n-]1 ZINC000760779022 804228291 /nfs/dbraw/zinc/22/82/91/804228291.db2.gz SNOOIIYARFKMMX-LBPRGKRZSA-N -1 0 305.334 -0.102 20 0 DBADRM CN1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1=O ZINC000761321629 804238440 /nfs/dbraw/zinc/23/84/40/804238440.db2.gz OEWCYXUQAMEFGO-UHFFFAOYSA-N -1 0 302.283 -0.056 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCSC2)cc1C(N)=O ZINC000762064700 804243459 /nfs/dbraw/zinc/24/34/59/804243459.db2.gz WHCCSUPHIDGQDU-ZETCQYMHSA-N -1 0 317.392 -0.318 20 0 DBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762130384 804244419 /nfs/dbraw/zinc/24/44/19/804244419.db2.gz GRTQLSJNRGBXMT-QWRGUYRKSA-N -1 0 309.384 -0.090 20 0 DBADRM COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762129882 804244516 /nfs/dbraw/zinc/24/45/16/804244516.db2.gz QZEZKVQHHNUOPZ-JTQLQIEISA-N -1 0 322.383 -0.053 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762139699 804244635 /nfs/dbraw/zinc/24/46/35/804244635.db2.gz NWTBZPDJSYALGO-SECBINFHSA-N -1 0 306.384 -0.369 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)NCc2n[nH]c(=O)[n-]2)cn1 ZINC000762222640 804245681 /nfs/dbraw/zinc/24/56/81/804245681.db2.gz USKCNCYJBRDTRL-UHFFFAOYSA-N -1 0 308.302 -0.883 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1nc2ccccn2n1 ZINC000762414253 804248457 /nfs/dbraw/zinc/24/84/57/804248457.db2.gz KLCDMOSTIDQTGH-UHFFFAOYSA-N -1 0 310.277 -0.247 20 0 DBADRM COc1ccc(C[C@@H](CO)CNC(=O)c2cc(=O)[nH][n-]2)cc1O ZINC000762555145 804251144 /nfs/dbraw/zinc/25/11/44/804251144.db2.gz SBCBQZPPPXDEMW-SNVBAGLBSA-N -1 0 321.333 -0.456 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000762644676 804252448 /nfs/dbraw/zinc/25/24/48/804252448.db2.gz WIWKYVHBSVOBHB-UHFFFAOYSA-N -1 0 310.372 -0.485 20 0 DBADRM CCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000762974045 804257960 /nfs/dbraw/zinc/25/79/60/804257960.db2.gz TVYPCIUZUHVBJB-MRVPVSSYSA-N -1 0 315.351 -0.480 20 0 DBADRM C[C@@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000763017076 804259610 /nfs/dbraw/zinc/25/96/10/804259610.db2.gz XVTVOOLSBDZAFT-KOLCDFICSA-N -1 0 304.368 -0.315 20 0 DBADRM C[C@@H]1CC[C@H](CCC(=O)NCCC(=O)[N-]S(C)(=O)=O)O1 ZINC000763450489 804267245 /nfs/dbraw/zinc/26/72/45/804267245.db2.gz LLFPWQDCYWKFSZ-NXEZZACHSA-N -1 0 306.384 -0.084 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1cn2ccccc2n1 ZINC000763444709 804267259 /nfs/dbraw/zinc/26/72/59/804267259.db2.gz JKVYGWPVLVOWTL-UHFFFAOYSA-N -1 0 324.362 -0.541 20 0 DBADRM C[C@@H](OC[C@@H]1CCCO1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763448103 804267305 /nfs/dbraw/zinc/26/73/05/804267305.db2.gz APPWKWQWKRDHAO-ZJUUUORDSA-N -1 0 322.383 -0.847 20 0 DBADRM C/C=C(\C)C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001282334442 804268260 /nfs/dbraw/zinc/26/82/60/804268260.db2.gz MZSKSBCLNMAASG-PIOFTHJTSA-N -1 0 323.353 -0.239 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000763970290 804276246 /nfs/dbraw/zinc/27/62/46/804276246.db2.gz GVTHPJWYJZNCLE-SECBINFHSA-N -1 0 301.368 -0.003 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2 ZINC000763970578 804276370 /nfs/dbraw/zinc/27/63/70/804276370.db2.gz JPGBKXFCMVFJQE-UHFFFAOYSA-N -1 0 303.340 -0.238 20 0 DBADRM Cc1cn2ccnc(C(=O)[N-]S(=O)(=O)c3cnn(C)c3)c2n1 ZINC000763926446 804277078 /nfs/dbraw/zinc/27/70/78/804277078.db2.gz HJWGAJCMOCQDHN-UHFFFAOYSA-N -1 0 320.334 -0.110 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2 ZINC000763981870 804278306 /nfs/dbraw/zinc/27/83/06/804278306.db2.gz ZKVQBYYXUZARKH-MRVPVSSYSA-N -1 0 303.340 -0.240 20 0 DBADRM COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)c1 ZINC000764151478 804279044 /nfs/dbraw/zinc/27/90/44/804279044.db2.gz OCFUPABZMZARSN-MRVPVSSYSA-N -1 0 316.335 -0.037 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCCS1(=O)=O ZINC000764152951 804279174 /nfs/dbraw/zinc/27/91/74/804279174.db2.gz ROEZLYIJBGPLNK-RKDXNWHRSA-N -1 0 313.397 -0.565 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000764155061 804279293 /nfs/dbraw/zinc/27/92/93/804279293.db2.gz XXTQGULRCZGXBW-ZETCQYMHSA-N -1 0 314.323 -0.471 20 0 DBADRM COc1ccc2c(c1)[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2 ZINC000764071723 804279388 /nfs/dbraw/zinc/27/93/88/804279388.db2.gz RJYIGNMICDLLKM-SNVBAGLBSA-N -1 0 312.347 -0.344 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CN(C)[C@@H]1CCSC1 ZINC000764154616 804279727 /nfs/dbraw/zinc/27/97/27/804279727.db2.gz GFUYPVXOTLQGLU-NXEZZACHSA-N -1 0 310.441 -0.095 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccco1 ZINC000764184082 804280138 /nfs/dbraw/zinc/28/01/38/804280138.db2.gz JOMMNPGKADOHSE-VIFPVBQESA-N -1 0 318.351 -0.120 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)Sc1nncn1C ZINC000764205848 804280635 /nfs/dbraw/zinc/28/06/35/804280635.db2.gz FEEGODUWDSRAOW-YUMQZZPRSA-N -1 0 322.412 -0.223 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000764186745 804280643 /nfs/dbraw/zinc/28/06/43/804280643.db2.gz OYIYKBDNUYZUPK-BDAKNGLRSA-N -1 0 318.351 -0.121 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC000764216994 804281699 /nfs/dbraw/zinc/28/16/99/804281699.db2.gz PEHXYGSORPHAIC-SKDRFNHKSA-N -1 0 306.384 -0.274 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000764758671 804288303 /nfs/dbraw/zinc/28/83/03/804288303.db2.gz CNIDACNAZJDOHR-UHFFFAOYSA-N -1 0 311.363 -0.458 20 0 DBADRM O=C(c1cnn2ncccc12)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000765318378 804296752 /nfs/dbraw/zinc/29/67/52/804296752.db2.gz MBWVDOPYZUJAAI-JTQLQIEISA-N -1 0 300.282 -0.544 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)c1ccnn1C)C(=O)C1CC1 ZINC000765651097 804304701 /nfs/dbraw/zinc/30/47/01/804304701.db2.gz OTRMNUSUCJSGGV-UHFFFAOYSA-N -1 0 300.340 -0.907 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000766013532 804309941 /nfs/dbraw/zinc/30/99/41/804309941.db2.gz PODGLSIQWZXTMV-PWSUYJOCSA-N -1 0 306.384 -0.006 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cccn2c(=O)[nH]nc12 ZINC000766274322 804314602 /nfs/dbraw/zinc/31/46/02/804314602.db2.gz GSZLEHUNJDEJNY-UHFFFAOYSA-N -1 0 314.323 -0.469 20 0 DBADRM CC(=O)Nc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)ccc1C ZINC000766911574 804320411 /nfs/dbraw/zinc/32/04/11/804320411.db2.gz YOCVGSBRSFUIHR-UHFFFAOYSA-N -1 0 313.335 -0.502 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)COC/C=C/c1ccccc1 ZINC000766909194 804320773 /nfs/dbraw/zinc/32/07/73/804320773.db2.gz HOTZEMJVULNXJM-QPJJXVBHSA-N -1 0 312.347 -0.352 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)Cc2cccnc2)c[nH]1 ZINC000766903917 804320920 /nfs/dbraw/zinc/32/09/20/804320920.db2.gz DRVBFQKJTLGWHY-UHFFFAOYSA-N -1 0 308.319 -0.232 20 0 DBADRM Cc1cccc2[nH]cc(CC(=O)[N-]S(=O)(=O)CC(N)=O)c21 ZINC000766921507 804321469 /nfs/dbraw/zinc/32/14/69/804321469.db2.gz IOXIABPZZXWENX-UHFFFAOYSA-N -1 0 309.347 -0.050 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)Cc1cccc2cccnc21 ZINC000766917456 804321675 /nfs/dbraw/zinc/32/16/75/804321675.db2.gz RIHFVKXQNONFOG-UHFFFAOYSA-N -1 0 307.331 -0.291 20 0 DBADRM CO[C@@](C)(C(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1 ZINC000766921365 804321714 /nfs/dbraw/zinc/32/17/14/804321714.db2.gz FYAFLCKXEFTOCS-GFCCVEGCSA-N -1 0 300.336 -0.521 20 0 DBADRM Cn1cc(-c2cccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c2)cn1 ZINC000766916661 804321762 /nfs/dbraw/zinc/32/17/62/804321762.db2.gz NKPSQEYHCZXSPD-UHFFFAOYSA-N -1 0 322.346 -0.368 20 0 DBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)CC(N)=O)c2ccccc21 ZINC000766918237 804321899 /nfs/dbraw/zinc/32/18/99/804321899.db2.gz VLZHVRULQRZDGS-UHFFFAOYSA-N -1 0 309.347 -0.348 20 0 DBADRM COc1ccc(OCCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766923838 804322505 /nfs/dbraw/zinc/32/25/05/804322505.db2.gz SWIRZRJWGLTGAQ-UHFFFAOYSA-N -1 0 316.335 -0.605 20 0 DBADRM C[C@H](Sc1ccccn1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766923934 804322658 /nfs/dbraw/zinc/32/26/58/804322658.db2.gz SHHBUBJBUAJQOF-ZETCQYMHSA-N -1 0 303.365 -0.507 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000766923929 804322777 /nfs/dbraw/zinc/32/27/77/804322777.db2.gz KOYRKWRGKZHTLL-RISCZKNCSA-N -1 0 308.359 -0.178 20 0 DBADRM CC[C@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766926769 804323407 /nfs/dbraw/zinc/32/34/07/804323407.db2.gz ORAWICOZOJCHGA-UWVGGRQHSA-N -1 0 306.384 -0.097 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)Cc1ccc(OC(F)F)cc1 ZINC000766925136 804323415 /nfs/dbraw/zinc/32/34/15/804323415.db2.gz YJOPHUXQDUUWHQ-UHFFFAOYSA-N -1 0 322.289 -0.238 20 0 DBADRM COc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c(Cl)c1 ZINC000766927431 804323655 /nfs/dbraw/zinc/32/36/55/804323655.db2.gz VEZHNNUFIOHBEH-UHFFFAOYSA-N -1 0 306.727 -0.107 20 0 DBADRM CCOc1c(F)cccc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766925269 804323705 /nfs/dbraw/zinc/32/37/05/804323705.db2.gz ZJCOKPQWSBZQLL-UHFFFAOYSA-N -1 0 304.299 -0.231 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccccc1OC(F)F ZINC000766929059 804323921 /nfs/dbraw/zinc/32/39/21/804323921.db2.gz YFLIPGYUJHSPGP-UHFFFAOYSA-N -1 0 308.262 -0.167 20 0 DBADRM CCc1noc2ncc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc12 ZINC000766928989 804324003 /nfs/dbraw/zinc/32/40/03/804324003.db2.gz WEHRWKCAJVCLNN-UHFFFAOYSA-N -1 0 312.307 -0.670 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000766928605 804324294 /nfs/dbraw/zinc/32/42/94/804324294.db2.gz IEISVEFBZDFWKD-SFYZADRCSA-N -1 0 318.301 0.000 20 0 DBADRM O=C(CC1CC1)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001282883790 804326084 /nfs/dbraw/zinc/32/60/84/804326084.db2.gz RTRPJXPUMWTHMX-UHFFFAOYSA-N -1 0 303.322 -0.331 20 0 DBADRM CC(C)=CC(=O)NCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001282895305 804329819 /nfs/dbraw/zinc/32/98/19/804329819.db2.gz UFWMCCRWVLLBHW-UHFFFAOYSA-N -1 0 311.342 -0.332 20 0 DBADRM Cc1nnsc1C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001282902785 804333920 /nfs/dbraw/zinc/33/39/20/804333920.db2.gz RGLPYFCXRVUDRP-UHFFFAOYSA-N -1 0 310.339 -0.257 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)CCOCCOC ZINC000768220472 804337599 /nfs/dbraw/zinc/33/75/99/804337599.db2.gz SHHCLEFEIRVYPR-UHFFFAOYSA-N -1 0 310.372 -0.988 20 0 DBADRM CCOC(=O)C(C)(C)n1cc(NC(=O)c2cc(=O)[nH][n-]2)cn1 ZINC000768265591 804338478 /nfs/dbraw/zinc/33/84/78/804338478.db2.gz SIMYPJKBAKFNTA-UHFFFAOYSA-N -1 0 307.310 -0.004 20 0 DBADRM C/C(=C/C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001282931363 804344770 /nfs/dbraw/zinc/34/47/70/804344770.db2.gz NDIWSXIDMFIHDH-VURMDHGXSA-N -1 0 309.326 -0.722 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000769355290 804348852 /nfs/dbraw/zinc/34/88/52/804348852.db2.gz OCXVJFYXOJWDSG-ONGXEEELSA-N -1 0 307.306 -0.194 20 0 DBADRM O=C(NCCNC(=O)c1c[n-]n2c1nccc2=O)c1cocn1 ZINC001282946208 804352398 /nfs/dbraw/zinc/35/23/98/804352398.db2.gz XRTDPBJXQJNZSL-UHFFFAOYSA-N -1 0 316.277 -0.830 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000770150331 804358711 /nfs/dbraw/zinc/35/87/11/804358711.db2.gz UABDQRCRDCNLCD-UHFFFAOYSA-N -1 0 313.339 -0.249 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC000770361798 804362102 /nfs/dbraw/zinc/36/21/02/804362102.db2.gz VMDILVVCBVDNCO-UHFFFAOYSA-N -1 0 320.367 -0.698 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cnn(-c3ccccc3)n2)C1=O ZINC000770452534 804364299 /nfs/dbraw/zinc/36/42/99/804364299.db2.gz JNHBKBXJBMWKSX-UHFFFAOYSA-N -1 0 300.278 -0.194 20 0 DBADRM CC[C@H](SC)C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001282974422 804364449 /nfs/dbraw/zinc/36/44/49/804364449.db2.gz KQAQZWDQUBERDU-LURJTMIESA-N -1 0 315.355 -0.730 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000770494877 804365324 /nfs/dbraw/zinc/36/53/24/804365324.db2.gz NAPDOWYKFLDQGC-UHFFFAOYSA-N -1 0 302.356 -0.027 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@@]2(C)CCNC(=O)C2)c1[O-] ZINC001282975893 804365461 /nfs/dbraw/zinc/36/54/61/804365461.db2.gz WPYDOIZDFXCLCJ-AWEZNQCLSA-N -1 0 323.353 -0.814 20 0 DBADRM COc1nc(C(=O)OCC(=O)NC(=O)NC2CC2)cc(=O)[n-]1 ZINC000770510551 804365480 /nfs/dbraw/zinc/36/54/80/804365480.db2.gz BDJSOVWQKPMQIQ-UHFFFAOYSA-N -1 0 310.266 -0.664 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(=O)[n-]c(OC)n1 ZINC000770522066 804365496 /nfs/dbraw/zinc/36/54/96/804365496.db2.gz ZIYJPFMTJMTAHO-LURJTMIESA-N -1 0 312.282 -0.418 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@]2(C)CCNC(=O)C2)c1[O-] ZINC001282975895 804365549 /nfs/dbraw/zinc/36/55/49/804365549.db2.gz WPYDOIZDFXCLCJ-CQSZACIVSA-N -1 0 323.353 -0.814 20 0 DBADRM COc1nc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CC2)cc(=O)[n-]1 ZINC000770524442 804365704 /nfs/dbraw/zinc/36/57/04/804365704.db2.gz XTTXNBVTNZYVPP-ZCFIWIBFSA-N -1 0 324.293 -0.276 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000770615599 804367243 /nfs/dbraw/zinc/36/72/43/804367243.db2.gz ZGSOBPRXHGQPCT-UHFFFAOYSA-N -1 0 321.399 -0.672 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000770614737 804367574 /nfs/dbraw/zinc/36/75/74/804367574.db2.gz QIXPLYNTKXFJSQ-NSHDSACASA-N -1 0 321.424 -0.245 20 0 DBADRM Cn1cc(C(=O)NCCNC(=O)c2ncccc2O)ncc1=O ZINC001282982645 804369124 /nfs/dbraw/zinc/36/91/24/804369124.db2.gz XZQNEJSAFPACIM-UHFFFAOYSA-N -1 0 317.305 -0.959 20 0 DBADRM CC(C)(C)C[C@@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000770803572 804369998 /nfs/dbraw/zinc/36/99/98/804369998.db2.gz BIXQLZONLQTMDU-VIFPVBQESA-N -1 0 307.354 -0.016 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)n(C)n1 ZINC000771521580 804376803 /nfs/dbraw/zinc/37/68/03/804376803.db2.gz ZXZSDPPSMRNYDA-BDAKNGLRSA-N -1 0 317.367 -0.014 20 0 DBADRM COC(=O)C[C@H]1CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000772291352 804385958 /nfs/dbraw/zinc/38/59/58/804385958.db2.gz PXIFJMWIMIEYGG-SECBINFHSA-N -1 0 319.321 -0.375 20 0 DBADRM CCOCCO[N-]C(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000772689831 804390643 /nfs/dbraw/zinc/39/06/43/804390643.db2.gz KGEIESQCDJQUEI-NSHDSACASA-N -1 0 301.343 -0.802 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC3(CN([C@H](C)C(N)=O)C3)CC2)c1[O-] ZINC001035686485 815014241 /nfs/dbraw/zinc/01/42/41/815014241.db2.gz HAHMSWFJNNJTRB-SNVBAGLBSA-N -1 0 321.381 -0.164 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)N[C@@H]1CCC(=O)NC1=O ZINC000772719002 804391820 /nfs/dbraw/zinc/39/18/20/804391820.db2.gz UTKRFDCLHODIDS-SCSAIBSYSA-N -1 0 318.405 -0.160 20 0 DBADRM CC(C)C(C)(C)C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001283036520 804392607 /nfs/dbraw/zinc/39/26/07/804392607.db2.gz GBEWBGYYWJKDTO-UHFFFAOYSA-N -1 0 311.342 -0.189 20 0 DBADRM C[C@@H](C(=O)[N-]OCC(N)=O)S(=O)(=O)c1ccc(F)cc1 ZINC000772930780 804393348 /nfs/dbraw/zinc/39/33/48/804393348.db2.gz FUTNCXABROIAQW-ZETCQYMHSA-N -1 0 304.299 -0.479 20 0 DBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]OCC(N)=O ZINC000772940766 804394271 /nfs/dbraw/zinc/39/42/71/804394271.db2.gz UJSXMDWSBHUCKV-VIFPVBQESA-N -1 0 307.372 -0.886 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC000772979319 804395606 /nfs/dbraw/zinc/39/56/06/804395606.db2.gz FLUVTFSOQFNDAF-SNVBAGLBSA-N -1 0 306.384 -0.273 20 0 DBADRM CCOC(=O)NCCC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000773158925 804397851 /nfs/dbraw/zinc/39/78/51/804397851.db2.gz KJUQCXBUNWSDCG-QMMMGPOBSA-N -1 0 314.371 -0.048 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)N1CCCC1)[C@@H]1CCSC1 ZINC000774005030 804412161 /nfs/dbraw/zinc/41/21/61/804412161.db2.gz NTFPWEOEJSACIN-SNVBAGLBSA-N -1 0 307.441 -0.120 20 0 DBADRM O=C(CCCCc1c[nH]nn1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000774097924 804415409 /nfs/dbraw/zinc/41/54/09/804415409.db2.gz USOVYVGNDFVDJW-SNVBAGLBSA-N -1 0 302.356 -0.248 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)Cn1ccc(C)cc1=O ZINC000774269266 804420509 /nfs/dbraw/zinc/42/05/09/804420509.db2.gz YBAXXOSMKBCTMY-SNVBAGLBSA-N -1 0 302.352 -0.362 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C1CCC1 ZINC000774294353 804420523 /nfs/dbraw/zinc/42/05/23/804420523.db2.gz FGMGHKDBKNGJIO-JTQLQIEISA-N -1 0 324.424 -0.201 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)nc1C ZINC000774278301 804420630 /nfs/dbraw/zinc/42/06/30/804420630.db2.gz AYEDAHOZHZPYPL-SECBINFHSA-N -1 0 314.367 -0.505 20 0 DBADRM COc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)nn1C ZINC000774305154 804420643 /nfs/dbraw/zinc/42/06/43/804420643.db2.gz RKQPLNKJZLYTAA-QMMMGPOBSA-N -1 0 303.340 -0.333 20 0 DBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C1CCC1)C(C)C ZINC000774292398 804420774 /nfs/dbraw/zinc/42/07/74/804420774.db2.gz IOIXIWDDZDFJQM-NSHDSACASA-N -1 0 306.384 -0.228 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCCCc1c[nH]nn1 ZINC000774265618 804420781 /nfs/dbraw/zinc/42/07/81/804420781.db2.gz GDPIHHSDOVNGEM-VIFPVBQESA-N -1 0 304.372 -0.002 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c(F)c1 ZINC000774372031 804421874 /nfs/dbraw/zinc/42/18/74/804421874.db2.gz WUQOXHRZTFPPSA-UHFFFAOYSA-N -1 0 318.282 -0.843 20 0 DBADRM CC(C)=C(C)CC(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001283127207 804423659 /nfs/dbraw/zinc/42/36/59/804423659.db2.gz NOIFDLGPEVGMAN-UHFFFAOYSA-N -1 0 309.326 -0.125 20 0 DBADRM CCN(CC)S(=O)(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000774551320 804425285 /nfs/dbraw/zinc/42/52/85/804425285.db2.gz SJZXEJVVXIBLFI-UHFFFAOYSA-N -1 0 318.403 -0.786 20 0 DBADRM CC(C)(C)CCC(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001283134306 804426796 /nfs/dbraw/zinc/42/67/96/804426796.db2.gz BWZVTIQGCDACJJ-UHFFFAOYSA-N -1 0 313.358 -0.252 20 0 DBADRM CCC[C@@H](CC)C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001283135589 804427611 /nfs/dbraw/zinc/42/76/11/804427611.db2.gz PYODRADSFHYZOH-SECBINFHSA-N -1 0 313.358 -0.252 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000774895414 804432620 /nfs/dbraw/zinc/43/26/20/804432620.db2.gz SWQPJAARMMPZMT-UHFFFAOYSA-N -1 0 312.307 -0.225 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)OCc2n[nH]c(=O)[n-]2)C1=O ZINC000774879955 804433309 /nfs/dbraw/zinc/43/33/09/804433309.db2.gz HJNRULHPGCMSCP-UHFFFAOYSA-N -1 0 311.298 -0.336 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3n[nH]c(=O)[n-]3)cnc21 ZINC000774898539 804433407 /nfs/dbraw/zinc/43/34/07/804433407.db2.gz UHQTZBXMPLLISJ-UHFFFAOYSA-N -1 0 318.249 -0.785 20 0 DBADRM O=C(CCn1nnc2ccccc2c1=O)OCc1n[nH]c(=O)[n-]1 ZINC000774910655 804434465 /nfs/dbraw/zinc/43/44/65/804434465.db2.gz VLDXNLHAHFAJBY-UHFFFAOYSA-N -1 0 316.277 -0.251 20 0 DBADRM COc1cc(C(=O)OCc2n[nH]c(=O)[n-]2)ccc1OCC(N)=O ZINC000774909670 804434494 /nfs/dbraw/zinc/43/44/94/804434494.db2.gz TWXGHXRCLBXLAJ-UHFFFAOYSA-N -1 0 322.277 -0.260 20 0 DBADRM CNC(=O)COc1cccc(CC(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000774971839 804435737 /nfs/dbraw/zinc/43/57/37/804435737.db2.gz NAPFWAHQVQEHEW-UHFFFAOYSA-N -1 0 320.305 -0.079 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774961423 804436120 /nfs/dbraw/zinc/43/61/20/804436120.db2.gz RUUQVEYDISPQHE-POYBYMJQSA-N -1 0 300.315 -0.535 20 0 DBADRM CC(C)C[C@@H](CO)N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000775211063 804439358 /nfs/dbraw/zinc/43/93/58/804439358.db2.gz WKVWQUQUKRAENT-JTQLQIEISA-N -1 0 307.354 -0.063 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001283171785 804439339 /nfs/dbraw/zinc/43/93/39/804439339.db2.gz GQPUWLFJEYSEID-BDAKNGLRSA-N -1 0 323.353 -0.506 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)N(C)CCOC)CC1 ZINC000775256428 804439798 /nfs/dbraw/zinc/43/97/98/804439798.db2.gz YWGLFBGHQWYMOC-UHFFFAOYSA-N -1 0 308.356 -0.731 20 0 DBADRM CC1(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)COC(C)(C)OC1 ZINC000775604210 804444320 /nfs/dbraw/zinc/44/43/20/804444320.db2.gz LLBBANDQKVKLES-UHFFFAOYSA-N -1 0 318.355 -0.064 20 0 DBADRM CS[C@H](C)C(=O)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001283190406 804445975 /nfs/dbraw/zinc/44/59/75/804445975.db2.gz IKJTXPDGQJYLSH-SSDOTTSWSA-N -1 0 317.371 -0.937 20 0 DBADRM COc1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)cnc1Cl ZINC000776437788 804455745 /nfs/dbraw/zinc/45/57/45/804455745.db2.gz MSOPEIMBEMZXFE-XNCJUZBTSA-N -1 0 324.742 -0.144 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)nc1Cl ZINC000776504800 804456968 /nfs/dbraw/zinc/45/69/68/804456968.db2.gz VGRDEXVCOOCGJV-SVRRBLITSA-N -1 0 323.758 -0.159 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000776527232 804457012 /nfs/dbraw/zinc/45/70/12/804457012.db2.gz RYMTZYYSJXTJLJ-SNVBAGLBSA-N -1 0 303.340 -0.422 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000776502590 804457030 /nfs/dbraw/zinc/45/70/30/804457030.db2.gz HRIOJBFYWNQUKC-POYBYMJQSA-N -1 0 323.758 -0.159 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1cnc(Cl)n1C)C(=O)[O-] ZINC000776502307 804457180 /nfs/dbraw/zinc/45/71/80/804457180.db2.gz BXCWXMZPQOOQCG-LURJTMIESA-N -1 0 311.747 -0.159 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000776527228 804457221 /nfs/dbraw/zinc/45/72/21/804457221.db2.gz RYMTZYYSJXTJLJ-JTQLQIEISA-N -1 0 303.340 -0.422 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000776496603 804457359 /nfs/dbraw/zinc/45/73/59/804457359.db2.gz FBBRYMVQQCBBOS-VIFPVBQESA-N -1 0 301.276 -0.919 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)c1Cl ZINC000776502546 804457389 /nfs/dbraw/zinc/45/73/89/804457389.db2.gz GOLDIONTQQJXNU-NKWVEPMBSA-N -1 0 323.758 -0.159 20 0 DBADRM C[C@H](CCC(=O)[O-])NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776563299 804458763 /nfs/dbraw/zinc/45/87/63/804458763.db2.gz INQBTEVGNWVKPY-SNVBAGLBSA-N -1 0 322.383 -0.087 20 0 DBADRM CC[C@@H](CNS(=O)(=O)c1cnn(CC(=O)OC)c1)C(=O)[O-] ZINC000776540386 804458783 /nfs/dbraw/zinc/45/87/83/804458783.db2.gz UGZQFWYSUSIGRN-QMMMGPOBSA-N -1 0 319.339 -0.555 20 0 DBADRM O=C([O-])[C@H](CC1CCOCC1)NS(=O)(=O)[C@@H]1CCOC1 ZINC000776603159 804460574 /nfs/dbraw/zinc/46/05/74/804460574.db2.gz UPSSAUROMJJLQG-MNOVXSKESA-N -1 0 307.368 -0.035 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)N(C)C(C)C)C(=O)[O-])c1 ZINC000776642908 804460706 /nfs/dbraw/zinc/46/07/06/804460706.db2.gz ASCKHBVGEOTNHP-JTQLQIEISA-N -1 0 304.372 -0.181 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000776611995 804460827 /nfs/dbraw/zinc/46/08/27/804460827.db2.gz CBGRWQBWJWMPGV-NXEZZACHSA-N -1 0 304.368 -0.039 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)c1c[nH]cn1)[C@H](O)c1ccccc1 ZINC000776600875 804460830 /nfs/dbraw/zinc/46/08/30/804460830.db2.gz VMTWFYFTQQBSCE-GHMZBOCLSA-N -1 0 311.319 -0.125 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000776611998 804460893 /nfs/dbraw/zinc/46/08/93/804460893.db2.gz CBGRWQBWJWMPGV-UWVGGRQHSA-N -1 0 304.368 -0.039 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000776712967 804461611 /nfs/dbraw/zinc/46/16/11/804461611.db2.gz RVCLESYNJKJIFR-RKDXNWHRSA-N -1 0 307.372 -0.778 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776679544 804461650 /nfs/dbraw/zinc/46/16/50/804461650.db2.gz WLVCSBPTKHJCGU-UHFFFAOYSA-N -1 0 308.356 -0.523 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ncn(C)c1Cl ZINC000776700447 804461827 /nfs/dbraw/zinc/46/18/27/804461827.db2.gz JWHVGDCTPUCKLD-LURJTMIESA-N -1 0 311.747 -0.206 20 0 DBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)CCC(=O)[O-])CC1 ZINC000776685162 804461914 /nfs/dbraw/zinc/46/19/14/804461914.db2.gz MLIYKJWDAZLIND-UHFFFAOYSA-N -1 0 321.399 -0.418 20 0 DBADRM CCCCC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C(=O)[O-] ZINC000776664148 804462086 /nfs/dbraw/zinc/46/20/86/804462086.db2.gz MFOBEVKNUFDLEP-SNVBAGLBSA-N -1 0 301.343 -0.612 20 0 DBADRM O=C(c1cn[nH]n1)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001035740946 815019893 /nfs/dbraw/zinc/01/98/93/815019893.db2.gz ILMYONQAUPSLOA-UHFFFAOYSA-N -1 0 318.341 -0.633 20 0 DBADRM Cn1cnc2cc(C(=O)[N-]S(=O)(=O)N3CCOCC3)ccc21 ZINC000777327708 804469737 /nfs/dbraw/zinc/46/97/37/804469737.db2.gz TVZZLCPPGYGTNB-UHFFFAOYSA-N -1 0 324.362 -0.120 20 0 DBADRM CC(C)[C@H](C(=O)[N-]OCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000777824187 804476100 /nfs/dbraw/zinc/47/61/00/804476100.db2.gz XZRCDGRYBRKBAC-GFCCVEGCSA-N -1 0 319.317 -0.160 20 0 DBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777908775 804477827 /nfs/dbraw/zinc/47/78/27/804477827.db2.gz MXKOJWUVERDGBR-JTQLQIEISA-N -1 0 303.340 -0.593 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001283308817 804481492 /nfs/dbraw/zinc/48/14/92/804481492.db2.gz KPVKHGXVIRXGDQ-BDAKNGLRSA-N -1 0 311.342 -0.642 20 0 DBADRM COc1cccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)c1 ZINC000778618315 804485579 /nfs/dbraw/zinc/48/55/79/804485579.db2.gz AZAOLBFMGPVBOL-UHFFFAOYSA-N -1 0 314.363 -0.168 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cn1 ZINC000778655337 804486762 /nfs/dbraw/zinc/48/67/62/804486762.db2.gz VAQGIWBRDNMRET-UHFFFAOYSA-N -1 0 316.339 -0.818 20 0 DBADRM CCOc1cnc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cn1 ZINC000778767968 804488658 /nfs/dbraw/zinc/48/86/58/804488658.db2.gz AQVAEFPBGLJYRW-VIFPVBQESA-N -1 0 305.298 -0.398 20 0 DBADRM CN(CCOCCNC(=O)c1cncn1C)Cc1n[nH]c(=O)[n-]1 ZINC001283386904 804497938 /nfs/dbraw/zinc/49/79/38/804497938.db2.gz HOAHBVJHXJBJPS-UHFFFAOYSA-N -1 0 323.357 -0.878 20 0 DBADRM O=C(Cc1ccccc1CO)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000779769409 804507566 /nfs/dbraw/zinc/50/75/66/804507566.db2.gz RIOBEXZLMDSUCT-GFCCVEGCSA-N -1 0 303.322 -0.165 20 0 DBADRM CC(C)N1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1=O ZINC000780239325 804513433 /nfs/dbraw/zinc/51/34/33/804513433.db2.gz ZGZSJQSVEKUZJT-UHFFFAOYSA-N -1 0 318.337 -0.850 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CCOC[C@H]3CCCO3)C2)nn1 ZINC000780319138 804513469 /nfs/dbraw/zinc/51/34/69/804513469.db2.gz MESQLHDJQVIBDD-LLVKDONJSA-N -1 0 324.337 -0.055 20 0 DBADRM C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000780371579 804514909 /nfs/dbraw/zinc/51/49/09/804514909.db2.gz AOUZVMMGDPYNGQ-SECBINFHSA-N -1 0 315.351 -0.263 20 0 DBADRM C[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000780371581 804514927 /nfs/dbraw/zinc/51/49/27/804514927.db2.gz AOUZVMMGDPYNGQ-VIFPVBQESA-N -1 0 315.351 -0.263 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc(C(=O)OC)cn1 ZINC000780373710 804515299 /nfs/dbraw/zinc/51/52/99/804515299.db2.gz KEYPCYPUFSWFIA-ZETCQYMHSA-N -1 0 317.323 -0.642 20 0 DBADRM O=C(CN1CCSC1=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780603439 804517195 /nfs/dbraw/zinc/51/71/95/804517195.db2.gz DZEBHSZFKYQOIV-QMMMGPOBSA-N -1 0 308.381 -0.220 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780603766 804517344 /nfs/dbraw/zinc/51/73/44/804517344.db2.gz GNYKSEXIZANQKF-SECBINFHSA-N -1 0 306.384 -0.226 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)NCCOC[C@H]1CCCO1 ZINC000780577693 804517683 /nfs/dbraw/zinc/51/76/83/804517683.db2.gz RGEFLAUZKFPMEN-MNOVXSKESA-N -1 0 302.327 -0.323 20 0 DBADRM Cn1cc(CCC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cn1 ZINC000780605246 804517993 /nfs/dbraw/zinc/51/79/93/804517993.db2.gz FZNIOAPMYYTGDM-NSHDSACASA-N -1 0 301.368 -0.022 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NCc1ccnc(N(C)C)n1 ZINC000780716216 804518904 /nfs/dbraw/zinc/51/89/04/804518904.db2.gz PEIHUMHVWCOMBH-UHFFFAOYSA-N -1 0 311.342 -0.215 20 0 DBADRM CC(C)[C@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000780694477 804519037 /nfs/dbraw/zinc/51/90/37/804519037.db2.gz BQQAETZGFXSYMI-ZJUUUORDSA-N -1 0 321.399 -0.181 20 0 DBADRM CC[C@H](NC(=O)N[C@@H]1CCc2nc(COC)nn2C1)C(=O)[O-] ZINC000780655020 804519247 /nfs/dbraw/zinc/51/92/47/804519247.db2.gz HARSKDZWMHSXDR-BDAKNGLRSA-N -1 0 311.342 -0.098 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cc(C(=O)OC)no1 ZINC000781456257 804528526 /nfs/dbraw/zinc/52/85/26/804528526.db2.gz VSNCWZLDQOXUKX-UHFFFAOYSA-N -1 0 306.296 -0.443 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)on1 ZINC000781451007 804528621 /nfs/dbraw/zinc/52/86/21/804528621.db2.gz XHQOFHFVEQPMRA-UHFFFAOYSA-N -1 0 314.279 -0.687 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C(=O)OC)no1 ZINC000781459947 804528660 /nfs/dbraw/zinc/52/86/60/804528660.db2.gz JHPHAXRPUYIWJG-UHFFFAOYSA-N -1 0 305.312 -0.222 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(=O)OC)no1 ZINC000781453412 804529016 /nfs/dbraw/zinc/52/90/16/804529016.db2.gz FMNMLFDTYCNNOD-LURJTMIESA-N -1 0 306.296 -0.444 20 0 DBADRM O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781499442 804529711 /nfs/dbraw/zinc/52/97/11/804529711.db2.gz FKDXLKAVUMOWFR-GHMZBOCLSA-N -1 0 307.368 -0.193 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)CCC1 ZINC000781512112 804529778 /nfs/dbraw/zinc/52/97/78/804529778.db2.gz HINJLAWKQPVWQJ-VIFPVBQESA-N -1 0 304.368 -0.472 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000781513387 804529853 /nfs/dbraw/zinc/52/98/53/804529853.db2.gz ZAZWQLDYRHLCTD-SECBINFHSA-N -1 0 305.352 -0.045 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781500188 804530065 /nfs/dbraw/zinc/53/00/65/804530065.db2.gz JOIJGCSLKWRZIC-SNVBAGLBSA-N -1 0 306.384 -0.082 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1)C(=O)C1CC1 ZINC000781513332 804530185 /nfs/dbraw/zinc/53/01/85/804530185.db2.gz YBOJFECZHORLMV-SNVBAGLBSA-N -1 0 304.368 -0.520 20 0 DBADRM COc1ncc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)cn1 ZINC000781496798 804530215 /nfs/dbraw/zinc/53/02/15/804530215.db2.gz HFJPFZRJIQDMOQ-SECBINFHSA-N -1 0 301.324 -0.276 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cccc2c[nH]nc21 ZINC000781727892 804532998 /nfs/dbraw/zinc/53/29/98/804532998.db2.gz BHKCFVVFCBVZIG-UHFFFAOYSA-N -1 0 306.307 -0.190 20 0 DBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000781727906 804533168 /nfs/dbraw/zinc/53/31/68/804533168.db2.gz MNFFPLWIRNWIJJ-UHFFFAOYSA-N -1 0 314.367 -0.424 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnn(CC2CC2)c1)[C@@H]1COCCO1 ZINC000781719318 804533598 /nfs/dbraw/zinc/53/35/98/804533598.db2.gz HMSPMYFBZMZBPW-NSHDSACASA-N -1 0 315.351 -0.487 20 0 DBADRM COc1ccccc1CC(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781736822 804534413 /nfs/dbraw/zinc/53/44/13/804534413.db2.gz IYBGOLPCQKNNBB-UHFFFAOYSA-N -1 0 310.335 -0.129 20 0 DBADRM CN(C)c1cc(C(=O)[N-]S(=O)(=O)c2cnnn2C)ccn1 ZINC000781734035 804534499 /nfs/dbraw/zinc/53/44/99/804534499.db2.gz GNFDWJLDBQLIBD-UHFFFAOYSA-N -1 0 310.339 -0.605 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cccc2[nH]c(=O)oc21 ZINC000781731347 804534600 /nfs/dbraw/zinc/53/46/00/804534600.db2.gz AEEUYFSXOXZSMC-UHFFFAOYSA-N -1 0 323.290 -0.219 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)C[C@H]1CSCCS1 ZINC000781739352 804534678 /nfs/dbraw/zinc/53/46/78/804534678.db2.gz AJERLSRXOZYNIL-ZETCQYMHSA-N -1 0 322.437 -0.141 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1CSCCS1 ZINC000781738080 804534725 /nfs/dbraw/zinc/53/47/25/804534725.db2.gz MAEIBECTFYYQOV-ZCFIWIBFSA-N -1 0 308.410 -0.531 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781736686 804534744 /nfs/dbraw/zinc/53/47/44/804534744.db2.gz DYZDNYBZAWDJQQ-VIFPVBQESA-N -1 0 317.371 -0.829 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2 ZINC000781742186 804535826 /nfs/dbraw/zinc/53/58/26/804535826.db2.gz LZJDKUQTJMISFQ-UHFFFAOYSA-N -1 0 310.339 -0.533 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1COc2ccccc2C1 ZINC000781740543 804535901 /nfs/dbraw/zinc/53/59/01/804535901.db2.gz BMNFVDGMNFQZQO-JTQLQIEISA-N -1 0 322.346 -0.129 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000782211456 804542161 /nfs/dbraw/zinc/54/21/61/804542161.db2.gz JPSMLCLDFUDJBS-ZETCQYMHSA-N -1 0 301.324 -0.436 20 0 DBADRM CC1(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)COC1 ZINC000782572334 804549260 /nfs/dbraw/zinc/54/92/60/804549260.db2.gz BGHONHYNDHTSPJ-UHFFFAOYSA-N -1 0 323.334 -0.496 20 0 DBADRM CO[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000782576549 804549527 /nfs/dbraw/zinc/54/95/27/804549527.db2.gz DYWHACIZJUNYEL-QMMMGPOBSA-N -1 0 317.367 -0.256 20 0 DBADRM CN(CCCNC(=O)[C@H]1CC12CC2)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001283670478 804550101 /nfs/dbraw/zinc/55/01/01/804550101.db2.gz OZNYWEPQNNAGBT-MRVPVSSYSA-N -1 0 321.337 -0.339 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cc1ccn(C)n1 ZINC000782608096 804551538 /nfs/dbraw/zinc/55/15/38/804551538.db2.gz RPTGXYNVQSESLI-UHFFFAOYSA-N -1 0 303.340 -0.638 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000782702606 804552796 /nfs/dbraw/zinc/55/27/96/804552796.db2.gz OPLYMTBRMCYQFR-VIFPVBQESA-N -1 0 316.383 -0.131 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1nc(OC)n[nH]1 ZINC000782931949 804557332 /nfs/dbraw/zinc/55/73/32/804557332.db2.gz WJIUEVJCIRKOFD-UHFFFAOYSA-N -1 0 316.299 -0.568 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000783762050 804570557 /nfs/dbraw/zinc/57/05/57/804570557.db2.gz TXTNGRPOYACTDE-SSDOTTSWSA-N -1 0 317.305 -0.261 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000783762062 804570903 /nfs/dbraw/zinc/57/09/03/804570903.db2.gz TXTNGRPOYACTDE-ZETCQYMHSA-N -1 0 317.305 -0.261 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)CO1 ZINC000784484737 804580450 /nfs/dbraw/zinc/58/04/50/804580450.db2.gz PSCBIEQIGUHXPK-JGVFFNPUSA-N -1 0 315.351 -0.646 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)n1 ZINC000784542857 804581708 /nfs/dbraw/zinc/58/17/08/804581708.db2.gz PTPSTDCCSHFJMM-JTQLQIEISA-N -1 0 317.367 -0.232 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)n1 ZINC000784543168 804581898 /nfs/dbraw/zinc/58/18/98/804581898.db2.gz UDYYIKJPJOLKRD-SNVBAGLBSA-N -1 0 317.367 -0.232 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)COC)n1 ZINC000784513433 804582006 /nfs/dbraw/zinc/58/20/06/804582006.db2.gz WUCGFWKIJXOBGR-SECBINFHSA-N -1 0 305.356 -0.376 20 0 DBADRM CO[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC[C@@H]1C ZINC000784663463 804584368 /nfs/dbraw/zinc/58/43/68/804584368.db2.gz OLJOEVUOPSBVTL-ONGXEEELSA-N -1 0 305.338 -0.045 20 0 DBADRM COC[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@H](C)O1 ZINC000784667001 804584470 /nfs/dbraw/zinc/58/44/70/804584470.db2.gz DJNQYJWVRXMESN-NXEZZACHSA-N -1 0 321.337 -0.667 20 0 DBADRM COC[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H](C)O1 ZINC000784667051 804584527 /nfs/dbraw/zinc/58/45/27/804584527.db2.gz DJNQYJWVRXMESN-UWVGGRQHSA-N -1 0 321.337 -0.667 20 0 DBADRM CC[C@@]1(CO)CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000784726297 804585235 /nfs/dbraw/zinc/58/52/35/804585235.db2.gz GJWFTZWDUNZBLY-AWEZNQCLSA-N -1 0 305.338 -0.165 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)[N-]N1CCCNC1=O ZINC000784723963 804585593 /nfs/dbraw/zinc/58/55/93/804585593.db2.gz LHCKLBMMRBFFFQ-UHFFFAOYSA-N -1 0 305.747 -0.074 20 0 DBADRM CCOC(=O)[C@@H](C)[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000784717805 804585923 /nfs/dbraw/zinc/58/59/23/804585923.db2.gz RYTWCBBSIIKOQG-IUCAKERBSA-N -1 0 321.337 -0.225 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C)nc1C ZINC000784904410 804589158 /nfs/dbraw/zinc/58/91/58/804589158.db2.gz DMQYDRKUPMJRNM-VIFPVBQESA-N -1 0 314.367 -0.363 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000785358470 804597257 /nfs/dbraw/zinc/59/72/57/804597257.db2.gz MQUISYDKHMCMLY-UHFFFAOYSA-N -1 0 306.322 -0.371 20 0 DBADRM COc1ccc(NC(=O)C(=O)[N-]OCC(N)=O)c2ncccc12 ZINC000785384999 804597334 /nfs/dbraw/zinc/59/73/34/804597334.db2.gz KESUXRBXEJBDDE-UHFFFAOYSA-N -1 0 318.289 -0.285 20 0 DBADRM COC(=O)c1csc(NC(=O)C(=O)[N-]OCC(N)=O)c1C ZINC000785383120 804597501 /nfs/dbraw/zinc/59/75/01/804597501.db2.gz BOMMSRLENIYNKF-UHFFFAOYSA-N -1 0 315.307 -0.685 20 0 DBADRM CCOC(=O)Cc1cccc(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC000785385477 804597708 /nfs/dbraw/zinc/59/77/08/804597708.db2.gz OVCHOUSLIHNQJY-UHFFFAOYSA-N -1 0 323.305 -0.736 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000785383123 804597799 /nfs/dbraw/zinc/59/77/99/804597799.db2.gz BQOHKBQDQBGAEP-UHFFFAOYSA-N -1 0 315.669 -0.460 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000785386889 804597810 /nfs/dbraw/zinc/59/78/10/804597810.db2.gz WGDAAUKROWWVME-UHFFFAOYSA-N -1 0 324.312 -0.103 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1C ZINC000785383159 804597853 /nfs/dbraw/zinc/59/78/53/804597853.db2.gz CMNGLDGJIREMNS-UHFFFAOYSA-N -1 0 309.278 -0.747 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000785390166 804598299 /nfs/dbraw/zinc/59/82/99/804598299.db2.gz ZTBDCFAXCHFEAV-UHFFFAOYSA-N -1 0 302.290 -0.051 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H](CC1CCC1)NC(C)=O ZINC000786427866 804614963 /nfs/dbraw/zinc/61/49/63/804614963.db2.gz KDZGQDQSFRYPRP-LLVKDONJSA-N -1 0 305.400 -0.006 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H](CC1CCC1)NC(C)=O ZINC000786417036 804615186 /nfs/dbraw/zinc/61/51/86/804615186.db2.gz IJKLPPDFHYPHFI-LLVKDONJSA-N -1 0 306.384 -0.226 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1ccccc1 ZINC000786486538 804616478 /nfs/dbraw/zinc/61/64/78/804616478.db2.gz DVJNZDGSZQQMAT-NSHDSACASA-N -1 0 311.363 -0.413 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCc2nc(C)ncc2C1 ZINC000786675459 804620158 /nfs/dbraw/zinc/62/01/58/804620158.db2.gz UXBFMGUKDVNNAE-NSHDSACASA-N -1 0 308.338 -0.547 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000786967284 804626506 /nfs/dbraw/zinc/62/65/06/804626506.db2.gz KQUWTSIUZIRJHZ-AXFHLTTASA-N -1 0 318.395 -0.239 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000786958322 804626656 /nfs/dbraw/zinc/62/66/56/804626656.db2.gz GTYREZRPOZSCJL-VHSXEESVSA-N -1 0 321.399 -0.783 20 0 DBADRM C[C@]1(c2ccccc2)NC(=O)N(CC(=O)[N-]OCCO)C1=O ZINC000787292260 804632184 /nfs/dbraw/zinc/63/21/84/804632184.db2.gz KLQSZISLAZMSEX-CQSZACIVSA-N -1 0 307.306 -0.506 20 0 DBADRM CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)[N-]OCCO)C2=O ZINC000787286252 804632865 /nfs/dbraw/zinc/63/28/65/804632865.db2.gz CIRMYFUVPJOXBP-AWEZNQCLSA-N -1 0 313.354 -0.083 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H]1C ZINC000787511019 804635268 /nfs/dbraw/zinc/63/52/68/804635268.db2.gz DBXPGWYINXOHNG-IUCAKERBSA-N -1 0 319.321 -0.519 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000787753175 804639866 /nfs/dbraw/zinc/63/98/66/804639866.db2.gz DPIUEUOIXQRRDS-UHFFFAOYSA-N -1 0 323.349 -0.545 20 0 DBADRM CCOC(=O)c1n[nH]c(CNC(=O)C2=NN(C)C(=O)CC2)n1 ZINC000787905692 804644762 /nfs/dbraw/zinc/64/47/62/804644762.db2.gz HMZXVYSHVZEWJQ-UHFFFAOYSA-N -1 0 308.298 -0.794 20 0 DBADRM COCCS(=O)(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000787933079 804646979 /nfs/dbraw/zinc/64/69/79/804646979.db2.gz WREGAOKLRMCBLF-MRVPVSSYSA-N -1 0 311.356 -0.263 20 0 DBADRM COCCN1C[C@H](C(=O)NCCc2n[n-]c(=S)o2)CC1=O ZINC000788147590 804652019 /nfs/dbraw/zinc/65/20/19/804652019.db2.gz IXPYFYVJGBWARW-MRVPVSSYSA-N -1 0 314.367 -0.488 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CSCCS1 ZINC000788175833 804653239 /nfs/dbraw/zinc/65/32/39/804653239.db2.gz JKYWRWQDVCORLG-ZETCQYMHSA-N -1 0 312.438 -0.583 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC/C=C/C(=O)[O-])cn1 ZINC000788446738 804661481 /nfs/dbraw/zinc/66/14/81/804661481.db2.gz KIIJKNGESOPNHA-NSCUHMNNSA-N -1 0 300.292 -0.213 20 0 DBADRM C[C@H]1OCCN(S(=O)(=O)CC2CCOCC2)[C@@H]1C(=O)[O-] ZINC000788454521 804661644 /nfs/dbraw/zinc/66/16/44/804661644.db2.gz QVDSHZCYQRBWBN-KOLCDFICSA-N -1 0 307.368 -0.083 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC2(CN(CCF)C2)CC1 ZINC001035844207 815029776 /nfs/dbraw/zinc/02/97/76/815029776.db2.gz OWZMIHKGAHZTCV-UHFFFAOYSA-N -1 0 313.333 -0.417 20 0 DBADRM O=C1NCCCN1[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000788914628 804667163 /nfs/dbraw/zinc/66/71/63/804667163.db2.gz YYLHBRAJIMUZHW-UHFFFAOYSA-N -1 0 309.298 -0.243 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]N2CCCNC2=O)cc1C(N)=O ZINC000788914012 804667955 /nfs/dbraw/zinc/66/79/55/804667955.db2.gz ULFINUVQUHHQPO-UHFFFAOYSA-N -1 0 312.351 -0.297 20 0 DBADRM Cc1nc(CC(C)C)oc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000789420894 804673751 /nfs/dbraw/zinc/67/37/51/804673751.db2.gz YEHXKXVJMOABLH-UHFFFAOYSA-N -1 0 303.340 -0.274 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccnn1CC(F)F ZINC000789435239 804674200 /nfs/dbraw/zinc/67/42/00/804674200.db2.gz RPEHNEHUBRNPPY-UHFFFAOYSA-N -1 0 324.309 -0.545 20 0 DBADRM CC(C)=C(F)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001284288322 804675925 /nfs/dbraw/zinc/67/59/25/804675925.db2.gz KAQYCERBLQVLEK-ZCFIWIBFSA-N -1 0 313.289 -0.219 20 0 DBADRM O=C(c1cc2n[nH]nc2cc1F)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000789754755 804675978 /nfs/dbraw/zinc/67/59/78/804675978.db2.gz TVUVLUARNAUSSH-JTQLQIEISA-N -1 0 318.272 -0.176 20 0 DBADRM CC(C)=C(F)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001284288321 804676238 /nfs/dbraw/zinc/67/62/38/804676238.db2.gz KAQYCERBLQVLEK-LURJTMIESA-N -1 0 313.289 -0.219 20 0 DBADRM O=C(CNC(=O)c1ccccc1)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000789790150 804676574 /nfs/dbraw/zinc/67/65/74/804676574.db2.gz ADQREDXKWOGBKZ-UHFFFAOYSA-N -1 0 308.319 -0.355 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000789790688 804676711 /nfs/dbraw/zinc/67/67/11/804676711.db2.gz IVKDCUDNXLAOHB-JTQLQIEISA-N -1 0 321.314 -0.004 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(-n2cnnn2)c(C)c1 ZINC000789822768 804677601 /nfs/dbraw/zinc/67/76/01/804677601.db2.gz KDGQBRDMDLXXMZ-UHFFFAOYSA-N -1 0 320.309 -0.397 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000789826427 804677821 /nfs/dbraw/zinc/67/78/21/804677821.db2.gz XQICTUUYAVSHQV-UHFFFAOYSA-N -1 0 319.321 -0.041 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cccc(-n2cnnn2)c1C ZINC000789823828 804677893 /nfs/dbraw/zinc/67/78/93/804677893.db2.gz CCBNBSHYCWOHSL-UHFFFAOYSA-N -1 0 320.309 -0.397 20 0 DBADRM COC[C@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C(N)=O ZINC000790006285 804681423 /nfs/dbraw/zinc/68/14/23/804681423.db2.gz YWHMGVAPIGLHJC-BQBZGAKWSA-N -1 0 313.276 -0.694 20 0 DBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000790767812 804695323 /nfs/dbraw/zinc/69/53/23/804695323.db2.gz PUZXPQQQLRZULI-RMKNXTFCSA-N -1 0 324.358 -0.038 20 0 DBADRM C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@@H](C)S1=O ZINC000791177694 804699517 /nfs/dbraw/zinc/69/95/17/804699517.db2.gz QNMOHSUJZARWMY-NXEZZACHSA-N -1 0 313.379 -0.705 20 0 DBADRM O=C(C[C@H]1COCCN1C(=O)c1cc(=O)[nH][n-]1)c1ccco1 ZINC000791389259 804703200 /nfs/dbraw/zinc/70/32/00/804703200.db2.gz YVTRLFMZHKSKGG-VIFPVBQESA-N -1 0 305.290 -0.044 20 0 DBADRM COc1cncc(C(=O)[N-]S(=O)(=O)N2CCCCC2)n1 ZINC000791785935 804707913 /nfs/dbraw/zinc/70/79/13/804707913.db2.gz QHRXJDLMLHRENK-UHFFFAOYSA-N -1 0 300.340 -0.054 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cncc(OC)n2)cn1 ZINC000791828572 804708590 /nfs/dbraw/zinc/70/85/90/804708590.db2.gz USQQXMNDTXKCHI-UHFFFAOYSA-N -1 0 311.323 -0.180 20 0 DBADRM CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)c2cnccn2)nn1 ZINC000791832570 804709580 /nfs/dbraw/zinc/70/95/80/804709580.db2.gz UMZXWJUTHQJXRL-UHFFFAOYSA-N -1 0 310.339 -0.058 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791935374 804712087 /nfs/dbraw/zinc/71/20/87/804712087.db2.gz PILWJWHFHBIJON-QMMMGPOBSA-N -1 0 301.299 -0.354 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791934947 804712431 /nfs/dbraw/zinc/71/24/31/804712431.db2.gz LHHMSNIBVHPFPH-JTQLQIEISA-N -1 0 317.342 -0.254 20 0 DBADRM Cn1ncc(C(=O)COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)n1 ZINC000792187455 804714283 /nfs/dbraw/zinc/71/42/83/804714283.db2.gz GUVXUQYZTIVKGR-UHFFFAOYSA-N -1 0 322.243 -0.002 20 0 DBADRM Cn1ncc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)n1 ZINC000792536260 804718405 /nfs/dbraw/zinc/71/84/05/804718405.db2.gz GJWCEAOUTSFEIC-UHFFFAOYSA-N -1 0 321.318 -0.006 20 0 DBADRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)ccn1 ZINC000793113672 804725032 /nfs/dbraw/zinc/72/50/32/804725032.db2.gz VBHMODPAZNDGCV-UHFFFAOYSA-N -1 0 322.346 -0.054 20 0 DBADRM Cc1ccn(-c2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc2)n1 ZINC000793055102 804725103 /nfs/dbraw/zinc/72/51/03/804725103.db2.gz UGDRBDQGCYHNIM-UHFFFAOYSA-N -1 0 317.305 -0.348 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cnn(C)n2)cc1 ZINC000793188515 804726342 /nfs/dbraw/zinc/72/63/42/804726342.db2.gz CAVSGDYXNPHIOZ-UHFFFAOYSA-N -1 0 323.334 -0.707 20 0 DBADRM C[C@@H](Cn1ncc2ccccc21)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000793198064 804727635 /nfs/dbraw/zinc/72/76/35/804727635.db2.gz UQHDQBZFAPPRSO-VIFPVBQESA-N -1 0 324.362 -0.396 20 0 DBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)n1 ZINC000793321853 804728970 /nfs/dbraw/zinc/72/89/70/804728970.db2.gz TUWWIFLTZVFCPY-UHFFFAOYSA-N -1 0 308.319 -0.131 20 0 DBADRM CCOC(=O)C1CCC(NC(=O)C(=O)[N-]OCCOC)CC1 ZINC000793676294 804734230 /nfs/dbraw/zinc/73/42/30/804734230.db2.gz QHVJTNGYUSUMPL-UHFFFAOYSA-N -1 0 316.354 -0.081 20 0 DBADRM CSCCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000794192670 804744798 /nfs/dbraw/zinc/74/47/98/804744798.db2.gz RJLOBLMLRIMEBF-MRVPVSSYSA-N -1 0 322.412 -0.502 20 0 DBADRM CSCCO[N-]C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000794193729 804744979 /nfs/dbraw/zinc/74/49/79/804744979.db2.gz ODMQCFBUQBDTOA-UHFFFAOYSA-N -1 0 322.412 -0.582 20 0 DBADRM COC(=O)[C@@H]1C[C@H](F)CN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000794215080 804745947 /nfs/dbraw/zinc/74/59/47/804745947.db2.gz BOELBVPZJRNLBO-WDSKDSINSA-N -1 0 304.303 -0.286 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCC2(O)CCOCC2)c[nH]1 ZINC000794836383 804752943 /nfs/dbraw/zinc/75/29/43/804752943.db2.gz LRENNOBRJWHFJE-UHFFFAOYSA-N -1 0 318.351 -0.077 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]OCCOC(C)C ZINC000795064146 804755486 /nfs/dbraw/zinc/75/54/86/804755486.db2.gz GJUJOXVOEYQODZ-LBPRGKRZSA-N -1 0 315.370 -0.414 20 0 DBADRM Cc1[nH]nc([N-]S(=O)(=O)C[C@H]2CCCOC2)c1C(N)=O ZINC000795348518 804758573 /nfs/dbraw/zinc/75/85/73/804758573.db2.gz NNRYENAPRCZVBZ-QMMMGPOBSA-N -1 0 302.356 -0.015 20 0 DBADRM CC[C@](C)(OC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000796609720 804772601 /nfs/dbraw/zinc/77/26/01/804772601.db2.gz BDMJNLXHBGHALS-LBPRGKRZSA-N -1 0 317.367 -0.256 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CCC(=O)c1cnn(C)c1 ZINC000796697111 804772686 /nfs/dbraw/zinc/77/26/86/804772686.db2.gz BJZURCHUIINJNH-UHFFFAOYSA-N -1 0 303.340 -0.525 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2 ZINC000796847902 804773789 /nfs/dbraw/zinc/77/37/89/804773789.db2.gz MCADAWCTSLSAOL-UHFFFAOYSA-N -1 0 302.356 -0.020 20 0 DBADRM O=C(CCn1cnccc1=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000796786260 804774294 /nfs/dbraw/zinc/77/42/94/804774294.db2.gz STQVCLXBBJWVHL-UHFFFAOYSA-N -1 0 314.367 -0.520 20 0 DBADRM Cc1cn2ccnc(C(=O)[N-]S(=O)(=O)c3cc[nH]n3)c2n1 ZINC000796873018 804774857 /nfs/dbraw/zinc/77/48/57/804774857.db2.gz PTULCWUSDHDNGI-UHFFFAOYSA-N -1 0 306.307 -0.120 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)c(C)n1 ZINC000796876950 804775105 /nfs/dbraw/zinc/77/51/05/804775105.db2.gz CIWQGKUOYBCRPN-UHFFFAOYSA-N -1 0 313.339 -0.320 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000796873652 804775121 /nfs/dbraw/zinc/77/51/21/804775121.db2.gz QPUYMNHLAZRHFJ-ONGXEEELSA-N -1 0 305.400 -0.006 20 0 DBADRM Cn1c(=O)oc2c1cccc2C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796876944 804775131 /nfs/dbraw/zinc/77/51/31/804775131.db2.gz BXQNGLHRMHDATP-UHFFFAOYSA-N -1 0 322.302 -0.027 20 0 DBADRM CC(C)CN1C[C@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)CC1=O ZINC000796884220 804776098 /nfs/dbraw/zinc/77/60/98/804776098.db2.gz QDDQGCHNQSAQGF-SECBINFHSA-N -1 0 314.367 -0.281 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000797019253 804776949 /nfs/dbraw/zinc/77/69/49/804776949.db2.gz CTQMBYSHORACLB-GDPRMGEGSA-N -1 0 306.384 -0.228 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1occ2c1CCOC2 ZINC000797126959 804778058 /nfs/dbraw/zinc/77/80/58/804778058.db2.gz DCIRTTGOJIWHKE-UHFFFAOYSA-N -1 0 318.351 -0.095 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(C)=O ZINC000797283014 804778532 /nfs/dbraw/zinc/77/85/32/804778532.db2.gz RKWJAWFLQYZOPN-WPRPVWTQSA-N -1 0 322.383 -0.455 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CCc1ccn(C)n1 ZINC000797238452 804778759 /nfs/dbraw/zinc/77/87/59/804778759.db2.gz XTKWASKAZKBAFG-UHFFFAOYSA-N -1 0 313.339 -0.264 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCCC(=O)NC(C)C ZINC000797280943 804778903 /nfs/dbraw/zinc/77/89/03/804778903.db2.gz CLQBMSDXDBEXME-SECBINFHSA-N -1 0 322.383 -0.311 20 0 DBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)C(C)C ZINC000797283161 804778935 /nfs/dbraw/zinc/77/89/35/804778935.db2.gz BQSCFYRMJWGUTO-YUMQZZPRSA-N -1 0 324.355 -0.626 20 0 DBADRM O=C(CC1OCCO1)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000797228299 804779042 /nfs/dbraw/zinc/77/90/42/804779042.db2.gz OYQDOLTYAASKIX-UHFFFAOYSA-N -1 0 315.303 -0.017 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)COC[C@@H]1CCCO1 ZINC000797295384 804779622 /nfs/dbraw/zinc/77/96/22/804779622.db2.gz UQTNMNMHBSIUQP-IUCAKERBSA-N -1 0 309.340 -0.811 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1occ2c1CCOC2 ZINC000797292637 804779654 /nfs/dbraw/zinc/77/96/54/804779654.db2.gz SLPGAMQOBOTMJR-ZETCQYMHSA-N -1 0 317.319 -0.027 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)COC[C@@H]1CCCO1 ZINC000797295382 804779753 /nfs/dbraw/zinc/77/97/53/804779753.db2.gz UQTNMNMHBSIUQP-BDAKNGLRSA-N -1 0 309.340 -0.811 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C ZINC000797289806 804779763 /nfs/dbraw/zinc/77/97/63/804779763.db2.gz IWAKOWAOZLUNJV-SSDOTTSWSA-N -1 0 308.356 -0.844 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC000797286465 804779830 /nfs/dbraw/zinc/77/98/30/804779830.db2.gz WWGAVDVQNBEDKN-CIUDSAMLSA-N -1 0 320.367 -0.714 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1C1CC1 ZINC000797288632 804779911 /nfs/dbraw/zinc/77/99/11/804779911.db2.gz YBOZVFZXOROIGS-ZETCQYMHSA-N -1 0 315.351 -0.081 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)OC ZINC000797290968 804779933 /nfs/dbraw/zinc/77/99/33/804779933.db2.gz MJUQWBIZNKEDLI-MRVPVSSYSA-N -1 0 324.355 -0.528 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@@H]1CCC(=O)[C@@H]1C ZINC000797301754 804780533 /nfs/dbraw/zinc/78/05/33/804780533.db2.gz WXSCVSDAZBLWJA-VGMNWLOBSA-N -1 0 305.352 -0.001 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)CC1 ZINC000797303912 804780252 /nfs/dbraw/zinc/78/02/52/804780252.db2.gz GKZCDGYQELDHMM-ZETCQYMHSA-N -1 0 307.324 -0.663 20 0 DBADRM CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000797298765 804780411 /nfs/dbraw/zinc/78/04/11/804780411.db2.gz GMOFYOSDFZCUEH-MRVPVSSYSA-N -1 0 303.340 -0.167 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CN1CCSC1=O ZINC000797301918 804780448 /nfs/dbraw/zinc/78/04/48/804780448.db2.gz DAAXKKKAPBDLNN-ZCFIWIBFSA-N -1 0 310.353 -0.837 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)COc1cc(C)on1 ZINC000797297614 804780482 /nfs/dbraw/zinc/78/04/82/804780482.db2.gz FESKLBNJXIRQRT-SSDOTTSWSA-N -1 0 306.296 -0.631 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CN(C)[C@@H]1CCSC1 ZINC000797300010 804780588 /nfs/dbraw/zinc/78/05/88/804780588.db2.gz PVAHATIPQQWNGL-RKDXNWHRSA-N -1 0 324.424 -0.569 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC000797300721 804780628 /nfs/dbraw/zinc/78/06/28/804780628.db2.gz NIGCIFHGBLQSFC-SFYZADRCSA-N -1 0 322.383 -0.455 20 0 DBADRM COCc1nc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)cs1 ZINC000797302940 804780705 /nfs/dbraw/zinc/78/07/05/804780705.db2.gz VVPTUEPFLZPGGH-ZCFIWIBFSA-N -1 0 322.364 -0.089 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC000798199737 804787585 /nfs/dbraw/zinc/78/75/85/804787585.db2.gz HDULTPCRFDUYTD-MRVPVSSYSA-N -1 0 320.367 -0.700 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)O[C@H]1CCC(=O)NC1=O ZINC000798658194 804797935 /nfs/dbraw/zinc/79/79/35/804797935.db2.gz WPUMHDNRTAXWDC-YFKPBYRVSA-N -1 0 310.228 -0.208 20 0 DBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000798827838 804802443 /nfs/dbraw/zinc/80/24/43/804802443.db2.gz COGLWEQWPMIAOH-UHFFFAOYSA-N -1 0 301.715 -0.018 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1)c1cnn(C)c1 ZINC000798851114 804802968 /nfs/dbraw/zinc/80/29/68/804802968.db2.gz VIABZANSASDTSG-QWRGUYRKSA-N -1 0 317.367 -0.267 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](OC)c1cnn(C)c1 ZINC000798860753 804803095 /nfs/dbraw/zinc/80/30/95/804803095.db2.gz FACBUSVLDXCICZ-PSASIEDQSA-N -1 0 305.356 -0.412 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](OC)c1cnn(C)c1 ZINC000798860755 804803233 /nfs/dbraw/zinc/80/32/33/804803233.db2.gz FACBUSVLDXCICZ-SCZZXKLOSA-N -1 0 305.356 -0.412 20 0 DBADRM CC1=C(C(=O)NCc2n[nH]c(=O)[n-]2)[C@H](C)n2ncnc2N1C ZINC000798973440 804804383 /nfs/dbraw/zinc/80/43/83/804804383.db2.gz YRLYKXVXZXOCFO-ZETCQYMHSA-N -1 0 304.314 -0.297 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC000798999028 804804847 /nfs/dbraw/zinc/80/48/47/804804847.db2.gz DJASMJYMWWJMKD-YUMQZZPRSA-N -1 0 312.288 -0.355 20 0 DBADRM COCC[C@@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000799087186 804806987 /nfs/dbraw/zinc/80/69/87/804806987.db2.gz ONVYPDKSBIOBTR-ZETCQYMHSA-N -1 0 300.277 -0.043 20 0 DBADRM COCc1cccc(CS(=O)(=O)[N-]C(=O)CNC(C)=O)c1 ZINC000799655663 804814875 /nfs/dbraw/zinc/81/48/75/804814875.db2.gz HWZCZWZIMNHJRD-UHFFFAOYSA-N -1 0 314.363 -0.085 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)c2cn3c(n2)CCCC3)CCOC1 ZINC000800026549 804819633 /nfs/dbraw/zinc/81/96/33/804819633.db2.gz LWVJFIGJLWYMIF-GFCCVEGCSA-N -1 0 315.351 -0.259 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)c2cccc3n[nH]nc32)n1 ZINC000800206559 804822527 /nfs/dbraw/zinc/82/25/27/804822527.db2.gz HARUSBNYZYGEBE-UHFFFAOYSA-N -1 0 316.277 -0.014 20 0 DBADRM Cc1cnc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(O)c1 ZINC000800549615 804825280 /nfs/dbraw/zinc/82/52/80/804825280.db2.gz LNWGBSIMSXIFQG-UHFFFAOYSA-N -1 0 301.324 -0.709 20 0 DBADRM CC(=O)C(C)(C)CCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800550730 804825373 /nfs/dbraw/zinc/82/53/73/804825373.db2.gz GCXNCLFULIREJG-UHFFFAOYSA-N -1 0 306.384 -0.036 20 0 DBADRM CC(C)c1ncncc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800552106 804826059 /nfs/dbraw/zinc/82/60/59/804826059.db2.gz JMGSKORDSQWHDH-UHFFFAOYSA-N -1 0 314.367 -0.204 20 0 DBADRM CCC1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCOCC1 ZINC000800552721 804826114 /nfs/dbraw/zinc/82/61/14/804826114.db2.gz DMSWPMAABADMNU-UHFFFAOYSA-N -1 0 306.384 -0.225 20 0 DBADRM COC1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCCCC1 ZINC000800551583 804826322 /nfs/dbraw/zinc/82/63/22/804826322.db2.gz LONOKEVEFCLEQN-UHFFFAOYSA-N -1 0 306.384 -0.082 20 0 DBADRM Cn1cc(/C=C\C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC000800552559 804826449 /nfs/dbraw/zinc/82/64/49/804826449.db2.gz YPSCMJCIWDKBLH-ARJAWSKDSA-N -1 0 300.340 -0.985 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ncc(F)cc1F ZINC000800551876 804826509 /nfs/dbraw/zinc/82/65/09/804826509.db2.gz FADLBKCTZAIIHP-UHFFFAOYSA-N -1 0 307.278 -0.445 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCO[C@@H](C(F)F)C1 ZINC000801011319 804829667 /nfs/dbraw/zinc/82/96/67/804829667.db2.gz ANNNMNOUTUDQOS-MRVPVSSYSA-N -1 0 313.264 -0.436 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCCOC(F)F ZINC000801071017 804830597 /nfs/dbraw/zinc/83/05/97/804830597.db2.gz VUJIBOHKSTWYBW-UHFFFAOYSA-N -1 0 301.253 -0.183 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)C1CN(C(C)=O)C1 ZINC000802152774 804842392 /nfs/dbraw/zinc/84/23/92/804842392.db2.gz ZLFGWTKTCJFHAQ-HTQZYQBOSA-N -1 0 320.367 -0.892 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)C1(C(=O)OC)CC1 ZINC000802167325 804843513 /nfs/dbraw/zinc/84/35/13/804843513.db2.gz MGSUKXHKRLDJCO-JGVFFNPUSA-N -1 0 321.351 -0.417 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C1(C(=O)OC)CC1 ZINC000802167329 804843583 /nfs/dbraw/zinc/84/35/83/804843583.db2.gz MGSUKXHKRLDJCO-YUMQZZPRSA-N -1 0 321.351 -0.417 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccnn1C ZINC000802167912 804843610 /nfs/dbraw/zinc/84/36/10/804843610.db2.gz QZYHPCYSEATFHQ-YUMQZZPRSA-N -1 0 303.340 -0.323 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C1=CCOCC1 ZINC000802163779 804843740 /nfs/dbraw/zinc/84/37/40/804843740.db2.gz SGCQKGGRTXZQHI-BDAKNGLRSA-N -1 0 305.352 -0.023 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)COCc1cc(C)no1 ZINC000802229573 804845295 /nfs/dbraw/zinc/84/52/95/804845295.db2.gz USUNJDHBMPVERS-SECBINFHSA-N -1 0 306.340 -0.019 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CC1OCCO1 ZINC000802766499 804847551 /nfs/dbraw/zinc/84/75/51/804847551.db2.gz DSKPMPRIIWPAMO-JGVFFNPUSA-N -1 0 309.340 -0.607 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)COCc1ncc(C)o1 ZINC000802815490 804848429 /nfs/dbraw/zinc/84/84/29/804848429.db2.gz AGUBBUAJOWRZPU-SECBINFHSA-N -1 0 306.340 -0.019 20 0 DBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)CC1 ZINC000803007247 804848783 /nfs/dbraw/zinc/84/87/83/804848783.db2.gz ZIVKCUROIUIHBM-VIFPVBQESA-N -1 0 305.352 -0.188 20 0 DBADRM COCCOCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000803008482 804849538 /nfs/dbraw/zinc/84/95/38/804849538.db2.gz WGOZRRYBVDOCKP-NSHDSACASA-N -1 0 309.384 -0.088 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCOC[C@H]1CCCO1 ZINC000803560066 804856355 /nfs/dbraw/zinc/85/63/55/804856355.db2.gz RIECSTRHQNAKPW-SNVBAGLBSA-N -1 0 306.384 -0.291 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCOC[C@@H]1CCCO1 ZINC000803560065 804856615 /nfs/dbraw/zinc/85/66/15/804856615.db2.gz RIECSTRHQNAKPW-JTQLQIEISA-N -1 0 306.384 -0.291 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NC[C@@H](C)CN1CCOCC1 ZINC000804021472 804861932 /nfs/dbraw/zinc/86/19/32/804861932.db2.gz CGJVQXZFYGECQX-LLVKDONJSA-N -1 0 319.427 -0.518 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCCNC(=O)C(C)(C)C ZINC000804096989 804866387 /nfs/dbraw/zinc/86/63/87/804866387.db2.gz ITVMNXDUIZWTOK-UHFFFAOYSA-N -1 0 303.359 -0.651 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1cc(=O)[nH][n-]1 ZINC000804501621 804871765 /nfs/dbraw/zinc/87/17/65/804871765.db2.gz YCMYJQKVGJWKSH-IUCAKERBSA-N -1 0 316.383 -0.914 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCOC[C@@H]1CCOC1 ZINC000804933442 804875315 /nfs/dbraw/zinc/87/53/15/804875315.db2.gz VYBVHDZXCKZBFX-SNVBAGLBSA-N -1 0 306.384 -0.434 20 0 DBADRM COCCCO[N-]C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000805043132 804883496 /nfs/dbraw/zinc/88/34/96/804883496.db2.gz DWYUADQURLDIBD-UHFFFAOYSA-N -1 0 320.371 -0.909 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001285465469 804889124 /nfs/dbraw/zinc/88/91/24/804889124.db2.gz LTTWTTXZCGKONB-TZIBCRCASA-N -1 0 307.310 -0.659 20 0 DBADRM Cn1cnc2c1nccc2C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000805920956 804904937 /nfs/dbraw/zinc/90/49/37/804904937.db2.gz PWSHBMVNIUFCMY-UHFFFAOYSA-N -1 0 320.334 -0.180 20 0 DBADRM Cn1cnc2c1nccc2C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000805926432 804905115 /nfs/dbraw/zinc/90/51/15/804905115.db2.gz PDESMAXMTASFBD-UHFFFAOYSA-N -1 0 306.307 -0.190 20 0 DBADRM C[C@@H](OCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)c1nccn1C ZINC000805882588 804905420 /nfs/dbraw/zinc/90/54/20/804905420.db2.gz ZJZZBANFGSOMDD-NXEZZACHSA-N -1 0 317.367 -0.267 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CO[C@H](C)c1nccn1C ZINC000805879475 804905437 /nfs/dbraw/zinc/90/54/37/804905437.db2.gz MZGGOFKGFQCFNP-SECBINFHSA-N -1 0 305.356 -0.410 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)C2(C)COC2)s1 ZINC000805947698 804907103 /nfs/dbraw/zinc/90/71/03/804907103.db2.gz ATZNZFUKTOYYHS-UHFFFAOYSA-N -1 0 319.364 -0.057 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000806029827 804909737 /nfs/dbraw/zinc/90/97/37/804909737.db2.gz RPFNZQNCSYIXER-UHFFFAOYSA-N -1 0 322.346 -0.210 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)C1(C)CC1 ZINC000806026961 804909816 /nfs/dbraw/zinc/90/98/16/804909816.db2.gz TUVSOIFYWDHTQN-UHFFFAOYSA-N -1 0 312.413 -0.344 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000806178103 804911687 /nfs/dbraw/zinc/91/16/87/804911687.db2.gz OTNYKAFAOIPHBY-WDEREUQCSA-N -1 0 315.370 -0.556 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000806192568 804912121 /nfs/dbraw/zinc/91/21/21/804912121.db2.gz HVNMYQBZTKVDAE-HXUWFJFHSA-N -1 0 308.400 -0.266 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCC1(OC)CCOCC1 ZINC000807059991 804930497 /nfs/dbraw/zinc/93/04/97/804930497.db2.gz GTBHYDDKFUKAKZ-UHFFFAOYSA-N -1 0 304.343 -0.618 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCOC[C@H]1OCC ZINC000807126044 804931710 /nfs/dbraw/zinc/93/17/10/804931710.db2.gz VHDDNHFWLWBINU-GHMZBOCLSA-N -1 0 304.343 -0.619 20 0 DBADRM O=C(NCc1ccncc1OC[C@H]1CCOC1)c1cc(=O)[nH][n-]1 ZINC000807895745 804941975 /nfs/dbraw/zinc/94/19/75/804941975.db2.gz NBZZTZKXMJLUHB-JTQLQIEISA-N -1 0 318.333 -0.011 20 0 DBADRM COCCOCC(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001285723855 804952378 /nfs/dbraw/zinc/95/23/78/804952378.db2.gz MWXQDRGBSWAOCK-QMMMGPOBSA-N -1 0 314.342 -0.679 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H](C)CO[C@@H]1CCOC1 ZINC000808279790 804955626 /nfs/dbraw/zinc/95/56/26/804955626.db2.gz VYTWFRVGYQUCEP-VHSXEESVSA-N -1 0 306.384 -0.293 20 0 DBADRM CCn1cncc1S(=O)(=O)[N-]N1C(=O)N[C@](C)(CC)C1=O ZINC000808310791 804958139 /nfs/dbraw/zinc/95/81/39/804958139.db2.gz YRBNKCHENWLGEZ-LLVKDONJSA-N -1 0 315.355 -0.183 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)/C=C\C1CC1 ZINC001285758676 804960803 /nfs/dbraw/zinc/96/08/03/804960803.db2.gz OJGALOMYAZCOIW-SLGIHZDVSA-N -1 0 321.337 -0.174 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)/C=C/C1CC1 ZINC001285758674 804960898 /nfs/dbraw/zinc/96/08/98/804960898.db2.gz OJGALOMYAZCOIW-HQZHTGGTSA-N -1 0 321.337 -0.174 20 0 DBADRM Cn1nncc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000808564192 804961795 /nfs/dbraw/zinc/96/17/95/804961795.db2.gz IIQPYVLYJYDMRO-UHFFFAOYSA-N -1 0 307.335 -0.098 20 0 DBADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1cn(C)nn1 ZINC000808978096 804966410 /nfs/dbraw/zinc/96/64/10/804966410.db2.gz GFXKRDWRIXOUBV-UHFFFAOYSA-N -1 0 309.351 -0.078 20 0 DBADRM CCc1cc(NC(=O)C(=O)[N-]OCCCC(=O)OC)n(C)n1 ZINC000808964742 804966420 /nfs/dbraw/zinc/96/64/20/804966420.db2.gz AGSMGQGPIGLYFL-UHFFFAOYSA-N -1 0 312.326 -0.078 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)nn1 ZINC000809007119 804967357 /nfs/dbraw/zinc/96/73/57/804967357.db2.gz PONIZKGUTDSBJY-UHFFFAOYSA-N -1 0 308.319 -0.131 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cnn(CCF)c1 ZINC000808986456 804967530 /nfs/dbraw/zinc/96/75/30/804967530.db2.gz PMXAEEDKUMXTTQ-UHFFFAOYSA-N -1 0 321.330 -0.135 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nn1 ZINC000809000581 804967810 /nfs/dbraw/zinc/96/78/10/804967810.db2.gz RMSYROZFGLERSR-BQBZGAKWSA-N -1 0 304.328 -0.928 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(Cl)cn1 ZINC000808998818 804967838 /nfs/dbraw/zinc/96/78/38/804967838.db2.gz UKUNYVGKPGNYKS-LURJTMIESA-N -1 0 309.731 -0.456 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)C[C@H]1CCCC(=O)N1 ZINC000808986474 804967846 /nfs/dbraw/zinc/96/78/46/804967846.db2.gz QAHDBXFVPDNBRN-SECBINFHSA-N -1 0 320.367 -0.556 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C)CC1 ZINC000809030611 804968589 /nfs/dbraw/zinc/96/85/89/804968589.db2.gz FXIQGPXUKXFDIV-UHFFFAOYSA-N -1 0 315.351 -0.123 20 0 DBADRM CC(C)=CC(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001285831875 804974973 /nfs/dbraw/zinc/97/49/73/804974973.db2.gz CFIFWDXMOOAUBL-MRVPVSSYSA-N -1 0 307.310 -0.420 20 0 DBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)n1 ZINC000810563707 804995731 /nfs/dbraw/zinc/99/57/31/804995731.db2.gz QRKSFOXWQYEMSQ-UHFFFAOYSA-N -1 0 321.362 -0.152 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2nnc3ccccc3n2)cn1 ZINC000810521974 804995800 /nfs/dbraw/zinc/99/58/00/804995800.db2.gz OVNSGZQRMPVMRC-UHFFFAOYSA-N -1 0 318.318 -0.123 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCCC1)c1cc2n(n1)CCO2 ZINC000810547519 804995874 /nfs/dbraw/zinc/99/58/74/804995874.db2.gz CKMUBPZRFKBVEO-UHFFFAOYSA-N -1 0 300.340 -0.264 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000810572515 804995903 /nfs/dbraw/zinc/99/59/03/804995903.db2.gz AROWQTSWJXSVBJ-SECBINFHSA-N -1 0 315.399 -0.379 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c(C2CC2)n1 ZINC000810597798 804996886 /nfs/dbraw/zinc/99/68/86/804996886.db2.gz OJEPJONIMSWIIE-UHFFFAOYSA-N -1 0 314.367 -0.396 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccc2c1CC(=O)CC2 ZINC000810667976 804996993 /nfs/dbraw/zinc/99/69/93/804996993.db2.gz KDADUVDCMZTDNF-UHFFFAOYSA-N -1 0 310.331 -0.711 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)Cc1cccc(Cl)c1F ZINC000810668195 804997051 /nfs/dbraw/zinc/99/70/51/804997051.db2.gz NFXFSRUKYIEGNC-UHFFFAOYSA-N -1 0 308.718 -0.047 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ncn(C)n2)cc1 ZINC000810657919 804997061 /nfs/dbraw/zinc/99/70/61/804997061.db2.gz ZNABZXAXVQSSEF-UHFFFAOYSA-N -1 0 323.334 -0.707 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccnc2ccncc21 ZINC000810597464 804997110 /nfs/dbraw/zinc/99/71/10/804997110.db2.gz AQLYAEYKEDQQBD-UHFFFAOYSA-N -1 0 322.346 -0.063 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)cn1 ZINC000810719377 804998090 /nfs/dbraw/zinc/99/80/90/804998090.db2.gz ITACTOWXSGEWSI-UHFFFAOYSA-N -1 0 324.318 -0.202 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ncn(C)n1 ZINC000810681197 804998600 /nfs/dbraw/zinc/99/86/00/804998600.db2.gz FRZGPCRSTFEKKA-RNFRBKRXSA-N -1 0 304.328 -0.928 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cnn(CCF)c1 ZINC000810830487 805000412 /nfs/dbraw/zinc/00/04/12/805000412.db2.gz RCFVTUXNODMAQL-UHFFFAOYSA-N -1 0 317.302 -0.150 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CCc1ccnn1C ZINC000810830527 805000555 /nfs/dbraw/zinc/00/05/55/805000555.db2.gz SSLOITAZKFEQLJ-UHFFFAOYSA-N -1 0 313.339 -0.264 20 0 DBADRM COCc1nc(C(=O)[N-]S(=O)(=O)c2c(C)onc2N)co1 ZINC000810829227 805000946 /nfs/dbraw/zinc/00/09/46/805000946.db2.gz GUWWZKIEUJTZGW-UHFFFAOYSA-N -1 0 316.295 -0.182 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)Cn2ccc(C)cc2=O)CC1 ZINC000811151725 805005307 /nfs/dbraw/zinc/00/53/07/805005307.db2.gz ZQSDQSSUGBUGGC-UHFFFAOYSA-N -1 0 314.363 -0.218 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)CC1 ZINC000811154387 805006110 /nfs/dbraw/zinc/00/61/10/805006110.db2.gz DGQOTGGQNBATHG-UHFFFAOYSA-N -1 0 301.324 -0.486 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@H](OC)c2cnn(C)c2)CC1 ZINC000811160483 805006330 /nfs/dbraw/zinc/00/63/30/805006330.db2.gz JCWPNRZPBVPWHG-SNVBAGLBSA-N -1 0 317.367 -0.267 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000811562668 805011288 /nfs/dbraw/zinc/01/12/88/805011288.db2.gz JGJYWDOAFXPOOL-AWEZNQCLSA-N -1 0 312.322 -0.400 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[N-]OC/C=C/Cl ZINC000812408648 805018424 /nfs/dbraw/zinc/01/84/24/805018424.db2.gz RMGSMQGCDPHODD-MPJRPATESA-N -1 0 322.774 -0.113 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)[N-]OC/C=C/Cl ZINC000812401908 805018455 /nfs/dbraw/zinc/01/84/55/805018455.db2.gz ORYTWNGVGMPKJF-ONEGZZNKSA-N -1 0 300.764 -0.257 20 0 DBADRM CC(C)OCCO[N-]C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000812802867 805021628 /nfs/dbraw/zinc/02/16/28/805021628.db2.gz XRJRLNLRLRLHEI-UHFFFAOYSA-N -1 0 306.344 -0.997 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CCc1ncccn1 ZINC000813068865 805025225 /nfs/dbraw/zinc/02/52/25/805025225.db2.gz VTKRXAVGMJTDRC-UHFFFAOYSA-N -1 0 315.351 -0.192 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000813526609 805029376 /nfs/dbraw/zinc/02/93/76/805029376.db2.gz ZLULKCZBPDQAQU-DTORHVGOSA-N -1 0 301.306 -0.206 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(C(=O)OC)on2)C1=O ZINC000813546627 805030416 /nfs/dbraw/zinc/03/04/16/805030416.db2.gz GUBUMISDCYIUSA-LBPRGKRZSA-N -1 0 310.266 -0.174 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)C2CC2)CC1 ZINC000813945190 805035810 /nfs/dbraw/zinc/03/58/10/805035810.db2.gz FAYCTHPQSHSUBT-SECBINFHSA-N -1 0 303.384 -0.442 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC000813943988 805035831 /nfs/dbraw/zinc/03/58/31/805035831.db2.gz JKIXTTXBBNBDRA-VXGBXAGGSA-N -1 0 317.411 -0.196 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccoc2C)CC1 ZINC000813945130 805036097 /nfs/dbraw/zinc/03/60/97/805036097.db2.gz BSMFRXOUVAFQFT-UHFFFAOYSA-N -1 0 315.351 -0.273 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC000813943986 805036272 /nfs/dbraw/zinc/03/62/72/805036272.db2.gz JKIXTTXBBNBDRA-NWDGAFQWSA-N -1 0 317.411 -0.196 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CC2(C)C)CC1 ZINC000813949552 805036449 /nfs/dbraw/zinc/03/64/49/805036449.db2.gz WCJFHDHETNYXQS-SNVBAGLBSA-N -1 0 303.384 -0.442 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2c[nH]cc2C)CC1 ZINC000813948955 805036510 /nfs/dbraw/zinc/03/65/10/805036510.db2.gz OKIYTJWQJPDBGQ-UHFFFAOYSA-N -1 0 314.367 -0.538 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2coc(C)c2)CC1 ZINC000813948087 805036618 /nfs/dbraw/zinc/03/66/18/805036618.db2.gz CIXTZLWQDXDBGS-UHFFFAOYSA-N -1 0 315.351 -0.273 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC000813950136 805036726 /nfs/dbraw/zinc/03/67/26/805036726.db2.gz KRFOLOZSJLTSMG-CMPLNLGQSA-N -1 0 317.411 -0.052 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CC23CCC3)CC1 ZINC000813949282 805036897 /nfs/dbraw/zinc/03/68/97/805036897.db2.gz RHZIZFCZLBPNCU-NSHDSACASA-N -1 0 315.395 -0.298 20 0 DBADRM CC[C@H](C)CC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813947600 805037032 /nfs/dbraw/zinc/03/70/32/805037032.db2.gz PPHDVENCOVVOJU-JTQLQIEISA-N -1 0 305.400 -0.052 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CN(C)C(=O)C1CC1 ZINC000813986153 805037603 /nfs/dbraw/zinc/03/76/03/805037603.db2.gz DNQSJIMAJRHQDR-UHFFFAOYSA-N -1 0 314.367 -0.598 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)COC[C@@H]2CCCO2)cnn1C ZINC000813956858 805037770 /nfs/dbraw/zinc/03/77/70/805037770.db2.gz SLXHBLHFWJGRIY-JTQLQIEISA-N -1 0 317.367 -0.271 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000813989622 805038302 /nfs/dbraw/zinc/03/83/02/805038302.db2.gz OQYSIDYOGLFTDW-UHFFFAOYSA-N -1 0 310.335 -0.454 20 0 DBADRM COc1cncc(C(=O)[N-]S(=O)(=O)c2c(C)cnn2C)n1 ZINC000813987954 805038494 /nfs/dbraw/zinc/03/84/94/805038494.db2.gz XWBVIMQIFFMPEE-UHFFFAOYSA-N -1 0 311.323 -0.354 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2c(C)cnn2C)C1 ZINC000813992169 805038647 /nfs/dbraw/zinc/03/86/47/805038647.db2.gz VXAYHVXHQYMENS-UHFFFAOYSA-N -1 0 300.340 -0.988 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2c(C)cnn2C)CCC1 ZINC000813987575 805038899 /nfs/dbraw/zinc/03/88/99/805038899.db2.gz XNQHQCAUKOMVLY-UHFFFAOYSA-N -1 0 314.367 -0.550 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000813988933 805039061 /nfs/dbraw/zinc/03/90/61/805039061.db2.gz UMMRLRKDJAPWMK-SSDOTTSWSA-N -1 0 303.340 -0.267 20 0 DBADRM O=C(OCc1n[nH]c(=O)[n-]1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000814522150 805042865 /nfs/dbraw/zinc/04/28/65/805042865.db2.gz UPSCBAAKLQVNNK-UHFFFAOYSA-N -1 0 317.261 -0.451 20 0 DBADRM COc1ncc(NC(=O)C(=O)[N-]OCCC2CC2)cc1C(N)=O ZINC000815793544 805059561 /nfs/dbraw/zinc/05/95/61/805059561.db2.gz DBBOQEHWGDMGLR-UHFFFAOYSA-N -1 0 322.321 -0.025 20 0 DBADRM CCOC(=O)c1ccc(C(=O)[N-]N2CC(=O)N(C)C2=O)nc1 ZINC000815906505 805061573 /nfs/dbraw/zinc/06/15/73/805061573.db2.gz BJEZFAHNQMNNTQ-UHFFFAOYSA-N -1 0 306.278 -0.203 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)c[nH]1 ZINC000815921193 805061724 /nfs/dbraw/zinc/06/17/24/805061724.db2.gz YWIAUTULZABADN-UHFFFAOYSA-N -1 0 301.324 -0.128 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ncoc1C1CC1 ZINC000815963393 805062524 /nfs/dbraw/zinc/06/25/24/805062524.db2.gz YWZXNRJRWKTLQT-UHFFFAOYSA-N -1 0 301.324 -0.141 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)CCOCCOC)n1 ZINC000815986897 805063386 /nfs/dbraw/zinc/06/33/86/805063386.db2.gz LPEVLBKULWKWQS-UHFFFAOYSA-N -1 0 320.371 -0.671 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC ZINC000816024101 805064157 /nfs/dbraw/zinc/06/41/57/805064157.db2.gz QZWMLGHDFGNCPX-YUMQZZPRSA-N -1 0 318.355 -0.445 20 0 DBADRM CO[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnnn2C)C1 ZINC000816034711 805064440 /nfs/dbraw/zinc/06/44/40/805064440.db2.gz NNALGCIGBYLVRB-RKDXNWHRSA-N -1 0 302.356 -0.175 20 0 DBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)c2ccnn2C)c(Cl)n1 ZINC000816021133 805064695 /nfs/dbraw/zinc/06/46/95/805064695.db2.gz DGTKRHKSQGECCS-UHFFFAOYSA-N -1 0 317.758 -0.145 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1cn(C)nc1Cl ZINC000816015431 805064772 /nfs/dbraw/zinc/06/47/72/805064772.db2.gz JRKDRUPVHLWTAE-LURJTMIESA-N -1 0 323.758 -0.377 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)CC1 ZINC000816090587 805065472 /nfs/dbraw/zinc/06/54/72/805065472.db2.gz PRMVGVXSEMODOY-UHFFFAOYSA-N -1 0 304.368 -0.376 20 0 DBADRM CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816203960 805066469 /nfs/dbraw/zinc/06/64/69/805066469.db2.gz LPRUNZYRZMULRZ-MRVPVSSYSA-N -1 0 303.340 -0.105 20 0 DBADRM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nn1c(=O)[n-][nH]c1=O ZINC000816730882 805078561 /nfs/dbraw/zinc/07/85/61/805078561.db2.gz SPCYETAAXMUWHH-HTQZYQBOSA-N -1 0 323.309 -0.675 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000816733839 805079329 /nfs/dbraw/zinc/07/93/29/805079329.db2.gz NVVVLYXXTROSKP-SSDOTTSWSA-N -1 0 321.268 -0.048 20 0 DBADRM Cn1nc(Br)cc1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816733207 805079562 /nfs/dbraw/zinc/07/95/62/805079562.db2.gz NHIADRGTKKQNIN-UHFFFAOYSA-N -1 0 303.076 -0.431 20 0 DBADRM COc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc2c1OCCO2 ZINC000816732598 805079706 /nfs/dbraw/zinc/07/97/06/805079706.db2.gz OBHPIXZKLOFATE-UHFFFAOYSA-N -1 0 308.250 -0.147 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000816733840 805079728 /nfs/dbraw/zinc/07/97/28/805079728.db2.gz NVVVLYXXTROSKP-ZETCQYMHSA-N -1 0 321.268 -0.048 20 0 DBADRM CN1C(=O)c2ccc(C(=O)Nn3c(=O)[n-][nH]c3=O)cc2C1=O ZINC000816734437 805080346 /nfs/dbraw/zinc/08/03/46/805080346.db2.gz ORSZACIMUVPGCB-UHFFFAOYSA-N -1 0 303.234 -0.701 20 0 DBADRM CCn1ncn([N-]C(=O)c2cccnc2OCCOC)c1=O ZINC000816736382 805080701 /nfs/dbraw/zinc/08/07/01/805080701.db2.gz UGVDFWFLVZFFNI-UHFFFAOYSA-N -1 0 307.310 -0.131 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCCS2)C1 ZINC000817110911 805090602 /nfs/dbraw/zinc/09/06/02/805090602.db2.gz PQHLKQYCLAEOSU-RKDXNWHRSA-N -1 0 318.420 -0.116 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCCS2)C1 ZINC000817110909 805090737 /nfs/dbraw/zinc/09/07/37/805090737.db2.gz PQHLKQYCLAEOSU-DTWKUNHWSA-N -1 0 318.420 -0.116 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NCCOc1cccnc1)C(=O)[O-] ZINC000817106175 805091315 /nfs/dbraw/zinc/09/13/15/805091315.db2.gz DWDBEUXBBMKKPO-SNVBAGLBSA-N -1 0 309.322 -0.244 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)O1 ZINC000817116670 805092181 /nfs/dbraw/zinc/09/21/81/805092181.db2.gz XXHOHOMVMYGLRG-OTYXRUKQSA-N -1 0 314.338 -0.423 20 0 DBADRM C[C@H](O)[C@H](NC(=O)c1cc(=O)[nH][n-]1)C(=O)OCc1ccccc1 ZINC000817242321 805093302 /nfs/dbraw/zinc/09/33/02/805093302.db2.gz XGDMEAGUTWEISV-ZANVPECISA-N -1 0 319.317 -0.529 20 0 DBADRM COC(=O)c1[n-][nH]c(=O)c1C(=O)Nc1cc(OC)cc(OC)c1 ZINC000817571980 805095337 /nfs/dbraw/zinc/09/53/37/805095337.db2.gz XJIJXADRSVYHQQ-JTQLQIEISA-N -1 0 321.289 -0.083 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)C[C@@H]2C=CCC2)c1[O-] ZINC001287737180 805107699 /nfs/dbraw/zinc/10/76/99/805107699.db2.gz KCIKSKDPLCBGAW-GHMZBOCLSA-N -1 0 322.365 -0.013 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)C[C@@H]2C=CCC2)c1[O-] ZINC001287737182 805107769 /nfs/dbraw/zinc/10/77/69/805107769.db2.gz KCIKSKDPLCBGAW-MNOVXSKESA-N -1 0 322.365 -0.013 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC[C@]1(COC)C(=O)[O-] ZINC000818309167 805110282 /nfs/dbraw/zinc/11/02/82/805110282.db2.gz OSAPSXQMVPHHBJ-LBPRGKRZSA-N -1 0 323.367 -0.860 20 0 DBADRM CN1N=C(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CCC1=O ZINC000818315366 805110667 /nfs/dbraw/zinc/11/06/67/805110667.db2.gz DZHABKQRXJMIKW-QMMMGPOBSA-N -1 0 320.309 -0.642 20 0 DBADRM C[C@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C(=O)[O-] ZINC000818325496 805110712 /nfs/dbraw/zinc/11/07/12/805110712.db2.gz MAXWOPOPCZMTKP-WPRPVWTQSA-N -1 0 309.322 -0.591 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818319053 805111373 /nfs/dbraw/zinc/11/13/73/805111373.db2.gz BQRSXMAOHCUAED-SECBINFHSA-N -1 0 323.353 -0.088 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)CN3CCCCC3=O)C2)nn1 ZINC000818318069 805111532 /nfs/dbraw/zinc/11/15/32/805111532.db2.gz PSHGMFOIUAXEJM-JTQLQIEISA-N -1 0 321.337 -0.238 20 0 DBADRM CSCC[C@@H](C)N(C)C(=O)C(=O)NCCOCC(=O)[O-] ZINC000884476407 807051252 /nfs/dbraw/zinc/05/12/52/807051252.db2.gz OXIPIPVOECZTMK-SECBINFHSA-N -1 0 306.384 -0.196 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000884478021 807051468 /nfs/dbraw/zinc/05/14/68/807051468.db2.gz OBBIHEHXHJZPLI-JZRPKSSGSA-N -1 0 322.361 -0.151 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000884478023 807051475 /nfs/dbraw/zinc/05/14/75/807051475.db2.gz OBBIHEHXHJZPLI-OBPIAQAESA-N -1 0 322.361 -0.151 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000818657721 805116653 /nfs/dbraw/zinc/11/66/53/805116653.db2.gz JDEQQSJNDYRYAB-SECBINFHSA-N -1 0 313.354 -0.707 20 0 DBADRM C[C@@H]1CCC[C@]1(O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000819000453 805119404 /nfs/dbraw/zinc/11/94/04/805119404.db2.gz TVVIGVZJWKJZAS-OTYXRUKQSA-N -1 0 305.338 -0.262 20 0 DBADRM C[C@@H]1CCC[C@@]1(O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000819000455 805120373 /nfs/dbraw/zinc/12/03/73/805120373.db2.gz TVVIGVZJWKJZAS-YMTOWFKASA-N -1 0 305.338 -0.262 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)c1 ZINC000819093946 805121179 /nfs/dbraw/zinc/12/11/79/805121179.db2.gz CTZBFYTWUCJLHG-GFCCVEGCSA-N -1 0 317.367 -0.251 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000819106232 805122400 /nfs/dbraw/zinc/12/24/00/805122400.db2.gz SXANOJBXMNLSON-SCZZXKLOSA-N -1 0 303.340 -0.124 20 0 DBADRM CCC(=O)N1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000819158982 805123451 /nfs/dbraw/zinc/12/34/51/805123451.db2.gz GBCHEAICNNNCFR-UHFFFAOYSA-N -1 0 301.324 -0.087 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cc2c(cn1)OCCO2 ZINC000820048285 805142299 /nfs/dbraw/zinc/14/22/99/805142299.db2.gz PVRMNWAMBYDUKF-UHFFFAOYSA-N -1 0 316.291 -0.915 20 0 DBADRM CNC(=O)COc1cccc(CC(=O)Nn2c(=O)[n-][nH]c2=O)c1 ZINC000820287626 805151663 /nfs/dbraw/zinc/15/16/63/805151663.db2.gz AQWAHAYIRJGQHR-UHFFFAOYSA-N -1 0 321.293 -0.873 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000820289217 805152047 /nfs/dbraw/zinc/15/20/47/805152047.db2.gz UHQYVCUGNFCEIX-IMJSIDKUSA-N -1 0 309.204 -0.784 20 0 DBADRM CCCC[C@@H](NC(=O)NCC)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000820282267 805152060 /nfs/dbraw/zinc/15/20/60/805152060.db2.gz MOCSWLLEOSBHNY-SSDOTTSWSA-N -1 0 300.319 -0.363 20 0 DBADRM Cc1ccc(C(=O)NCCC(=O)Nn2c(=O)[n-][nH]c2=O)c(O)c1 ZINC000820291448 805152824 /nfs/dbraw/zinc/15/28/24/805152824.db2.gz HEMORWSVYVHZFF-UHFFFAOYSA-N -1 0 321.293 -0.406 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)C[C@@H](C)n1cccn1 ZINC000820319567 805152867 /nfs/dbraw/zinc/15/28/67/805152867.db2.gz LOUMHTNPPGGVLZ-LLVKDONJSA-N -1 0 319.383 -0.057 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)Nn2c(=O)[n-][nH]c2=O)cc1 ZINC000820291263 805153112 /nfs/dbraw/zinc/15/31/12/805153112.db2.gz DBBOASXUYDJCSL-UHFFFAOYSA-N -1 0 307.266 -0.673 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)/C=C\[C@@H]1CCCO1 ZINC000820320544 805153272 /nfs/dbraw/zinc/15/32/72/805153272.db2.gz WQARWILIUYKWKZ-WYGGZMRJSA-N -1 0 307.368 -0.169 20 0 DBADRM C[C@H]1Oc2c(cccc2C(=O)Nn2c(=O)[n-][nH]c2=O)NC1=O ZINC000820291228 805153359 /nfs/dbraw/zinc/15/33/59/805153359.db2.gz CLJFRTMCEHPKKL-RXMQYKEDSA-N -1 0 305.250 -0.207 20 0 DBADRM Cc1ccccc1[C@H](CC(=O)Nn1c(=O)[n-][nH]c1=O)NC(N)=O ZINC000820291738 805153454 /nfs/dbraw/zinc/15/34/54/805153454.db2.gz KRVOFKXDNBTRSQ-VIFPVBQESA-N -1 0 320.309 -0.132 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1COC(=O)C1 ZINC000820720719 805164285 /nfs/dbraw/zinc/16/42/85/805164285.db2.gz OFMQFWHNLDREEC-YFKPBYRVSA-N -1 0 306.321 -0.477 20 0 DBADRM CC[C@]1(C)CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000820950097 805169608 /nfs/dbraw/zinc/16/96/08/805169608.db2.gz JNHHNTRFVOQOSK-CQSZACIVSA-N -1 0 319.369 -0.110 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)C[C@@H](C)n1cccn1 ZINC000821072153 805173449 /nfs/dbraw/zinc/17/34/49/805173449.db2.gz BOLMTKCXNNDFNZ-SECBINFHSA-N -1 0 303.340 -0.157 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000821196141 805176606 /nfs/dbraw/zinc/17/66/06/805176606.db2.gz ZFSLQYDMJHXSOB-ITXLNXHTSA-N -1 0 308.367 -0.048 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000821196144 805176674 /nfs/dbraw/zinc/17/66/74/805176674.db2.gz ZFSLQYDMJHXSOB-UASDCXGESA-N -1 0 308.367 -0.048 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000821196142 805176929 /nfs/dbraw/zinc/17/69/29/805176929.db2.gz ZFSLQYDMJHXSOB-SDZLHINSSA-N -1 0 308.367 -0.048 20 0 DBADRM O=C([O-])Cn1cc(COC(=O)CCn2ccccc2=O)nn1 ZINC000821539076 805185023 /nfs/dbraw/zinc/18/50/23/805185023.db2.gz QLNPDKJTSJXXOE-UHFFFAOYSA-N -1 0 306.278 -0.342 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCc1cnn(C)c1 ZINC000821597358 805186507 /nfs/dbraw/zinc/18/65/07/805186507.db2.gz POZQHXPFDJSUQG-UHFFFAOYSA-N -1 0 303.340 -0.638 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)cc1 ZINC000821597211 805186571 /nfs/dbraw/zinc/18/65/71/805186571.db2.gz JIANSLNWYFHLTN-UHFFFAOYSA-N -1 0 314.319 -0.592 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]1CCCO1 ZINC000821598703 805186701 /nfs/dbraw/zinc/18/67/01/805186701.db2.gz PATGPHRRHBOQNI-UWVGGRQHSA-N -1 0 323.367 -0.420 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)c1sc(N(C)C)nc1C ZINC000821615147 805187133 /nfs/dbraw/zinc/18/71/33/805187133.db2.gz KJUYAHFRPOCEPB-UHFFFAOYSA-N -1 0 320.396 -0.541 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCc1nc(-c2ccncc2)no1 ZINC001289430551 805220250 /nfs/dbraw/zinc/22/02/50/805220250.db2.gz UNQIWGUFPVHBAB-UHFFFAOYSA-N -1 0 305.294 -0.142 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCC(=O)N2CCCO2)cc1=O ZINC000823407692 805231130 /nfs/dbraw/zinc/23/11/30/805231130.db2.gz NQGXGFBMFIJQCZ-UHFFFAOYSA-N -1 0 310.354 -0.345 20 0 DBADRM C[C@@H](C(=O)N1CCOC[C@@H]1c1nnn[n-]1)N(C)CC(F)(F)F ZINC000823646283 805237165 /nfs/dbraw/zinc/23/71/65/805237165.db2.gz HGBIMEGPMBWIPM-JGVFFNPUSA-N -1 0 322.291 -0.018 20 0 DBADRM O=C(NCc1ccc(-n2ccnc2)nc1)c1n[nH]c(=O)[n-]c1=O ZINC001290739390 805254362 /nfs/dbraw/zinc/25/43/62/805254362.db2.gz DSGUXDNWFZEQBT-UHFFFAOYSA-N -1 0 313.277 -0.207 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000824960581 805269449 /nfs/dbraw/zinc/26/94/49/805269449.db2.gz SOJLPWAMBOVUPS-ZETCQYMHSA-N -1 0 300.315 -0.569 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001292466021 805275600 /nfs/dbraw/zinc/27/56/00/805275600.db2.gz FLGKBSFXDNRUIT-DTWKUNHWSA-N -1 0 311.342 -0.642 20 0 DBADRM CCNC(=O)CN(C)C(=O)Cc1noc(C)c1-c1nn[nH]n1 ZINC000825470958 805280585 /nfs/dbraw/zinc/28/05/85/805280585.db2.gz KJVZCDBMPFAECO-UHFFFAOYSA-N -1 0 307.314 -0.700 20 0 DBADRM CCNC(=O)CN(CC)C(=O)Cc1noc(C)c1-c1nn[nH]n1 ZINC000825471283 805280896 /nfs/dbraw/zinc/28/08/96/805280896.db2.gz QUMYCCWVXJSIGJ-UHFFFAOYSA-N -1 0 321.341 -0.310 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC000826116896 805293283 /nfs/dbraw/zinc/29/32/83/805293283.db2.gz FHGJWOCJKQPBKJ-JTQLQIEISA-N -1 0 319.325 -0.593 20 0 DBADRM COC(=O)[C@H]1C[C@@H]1C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001292571244 805296460 /nfs/dbraw/zinc/29/64/60/805296460.db2.gz WLPTWYNWYJVOPK-YUMQZZPRSA-N -1 0 310.310 -0.921 20 0 DBADRM COCC1(C)CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000826152976 805302146 /nfs/dbraw/zinc/30/21/46/805302146.db2.gz WIHBIXWUNHFWGC-UHFFFAOYSA-N -1 0 320.357 -0.267 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC=C(F)C2)n(C)c1=O ZINC000826355619 805308129 /nfs/dbraw/zinc/30/81/29/805308129.db2.gz HKUUGPHKZTXOHO-UHFFFAOYSA-N -1 0 307.289 -0.672 20 0 DBADRM O=C([N-]S(=O)(=O)Cc1ccon1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826449867 805309699 /nfs/dbraw/zinc/30/96/99/805309699.db2.gz MRTSWVYSKXGSFT-UHFFFAOYSA-N -1 0 323.294 -0.557 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826450041 805310336 /nfs/dbraw/zinc/31/03/36/805310336.db2.gz UZHVIPYGEMHSFH-SSDOTTSWSA-N -1 0 312.311 -0.957 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001292761255 805334775 /nfs/dbraw/zinc/33/47/75/805334775.db2.gz YEGYCWBKDLDDQE-ZJUUUORDSA-N -1 0 317.349 -0.085 20 0 DBADRM C[C@H](CNC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)[O-] ZINC000827497614 805340038 /nfs/dbraw/zinc/34/00/38/805340038.db2.gz RZFMSGQMZYDTOO-SSDOTTSWSA-N -1 0 304.324 -0.221 20 0 DBADRM CN(C)S(=O)(=O)N1CC(NC(=O)c2cccc(F)c2[O-])C1 ZINC000827638400 805347534 /nfs/dbraw/zinc/34/75/34/805347534.db2.gz DDSTUBDIVHRQTP-UHFFFAOYSA-N -1 0 317.342 -0.248 20 0 DBADRM C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1nnc2ccccn21 ZINC000827646025 805348717 /nfs/dbraw/zinc/34/87/17/805348717.db2.gz NPQXBDVRKZQUID-MRVPVSSYSA-N -1 0 315.293 -0.104 20 0 DBADRM C[C@H](OC(=O)CC1(CS(C)(=O)=O)CC1)C(=O)NCC(=O)[O-] ZINC000827826766 805353286 /nfs/dbraw/zinc/35/32/86/805353286.db2.gz OVHMQOQFOMOATG-QMMMGPOBSA-N -1 0 321.351 -0.666 20 0 DBADRM CC[C@H](C)CCC(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001293027662 805375514 /nfs/dbraw/zinc/37/55/14/805375514.db2.gz JQAMJPQVOLKFQL-VIFPVBQESA-N -1 0 313.358 -0.252 20 0 DBADRM CC(F)(F)C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001293098811 805384185 /nfs/dbraw/zinc/38/41/85/805384185.db2.gz XJPFSKPINMKREU-UHFFFAOYSA-N -1 0 305.241 -0.826 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)[C@H]2CCC(=O)NC2)c1[O-] ZINC001293249503 805403434 /nfs/dbraw/zinc/40/34/34/805403434.db2.gz LBCOUCMUJSRNQP-VIFPVBQESA-N -1 0 323.353 -0.814 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001293330730 805412820 /nfs/dbraw/zinc/41/28/20/805412820.db2.gz HIYXDDXFEZAWOG-NXEZZACHSA-N -1 0 317.349 -0.085 20 0 DBADRM C[C@H]1OCC[C@@H]1S(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000830053720 805417825 /nfs/dbraw/zinc/41/78/25/805417825.db2.gz REOZVTVZTTYHNL-MPPDQPJWSA-N -1 0 319.379 -0.083 20 0 DBADRM Cn1ccc(S(=O)(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n1 ZINC000830053503 805418104 /nfs/dbraw/zinc/41/81/04/805418104.db2.gz CYYIPHDFADWWIP-JOYOIKCWSA-N -1 0 315.351 -0.468 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CS(C)(=O)=O)C1 ZINC000830827242 805440332 /nfs/dbraw/zinc/44/03/32/805440332.db2.gz KRTPGWJVLSQUSW-SECBINFHSA-N -1 0 316.301 -0.300 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000830829312 805440566 /nfs/dbraw/zinc/44/05/66/805440566.db2.gz XEFOHEKXKANNNO-JTQLQIEISA-N -1 0 307.272 -0.079 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C[C@@H]2CC(=O)N2)C1 ZINC000830794879 805441056 /nfs/dbraw/zinc/44/10/56/805441056.db2.gz DUWYWDVIZPEHEY-CPCISQLKSA-N -1 0 307.272 -0.066 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@]2(O)CCOC2)C1 ZINC000830795807 805441068 /nfs/dbraw/zinc/44/10/68/805441068.db2.gz QAONKQSABRBLHX-MNOVXSKESA-N -1 0 310.272 -0.193 20 0 DBADRM CN(CCCNC(=O)C1CC1)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001293910996 805450215 /nfs/dbraw/zinc/45/02/15/805450215.db2.gz PEBIHMIVFUQOTI-UHFFFAOYSA-N -1 0 323.353 -0.410 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)nnn2C ZINC000832432205 805480931 /nfs/dbraw/zinc/48/09/31/805480931.db2.gz DWHAZADSGOBBRQ-UHFFFAOYSA-N -1 0 307.310 -0.009 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCC2OCCCO2)c1 ZINC000832764803 805490078 /nfs/dbraw/zinc/49/00/78/805490078.db2.gz NOOOLLUFQXXEOA-UHFFFAOYSA-N -1 0 316.335 -0.468 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000832766366 805490155 /nfs/dbraw/zinc/49/01/55/805490155.db2.gz GMUXQMLBIHSHEC-LLVKDONJSA-N -1 0 314.386 -0.142 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000832745998 805490196 /nfs/dbraw/zinc/49/01/96/805490196.db2.gz UZTCRWMNZCNKRH-LBPRGKRZSA-N -1 0 305.334 -0.058 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cc1nnn(-c2ccccc2)c1C ZINC000832769291 805491334 /nfs/dbraw/zinc/49/13/34/805491334.db2.gz CBWQPHIMOVCCMY-UHFFFAOYSA-N -1 0 303.322 -0.088 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1 ZINC000832769220 805491393 /nfs/dbraw/zinc/49/13/93/805491393.db2.gz AGTSYDWZGVNQFP-WZRBSPASSA-N -1 0 301.387 -0.086 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000832776165 805491644 /nfs/dbraw/zinc/49/16/44/805491644.db2.gz IRNYKPTWMLYTDV-JTQLQIEISA-N -1 0 321.333 -0.016 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000832773539 805491655 /nfs/dbraw/zinc/49/16/55/805491655.db2.gz SRFPWDQPUVJRCN-LLVKDONJSA-N -1 0 323.374 -0.005 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000832769219 805491768 /nfs/dbraw/zinc/49/17/68/805491768.db2.gz AGTSYDWZGVNQFP-NTZNESFSSA-N -1 0 301.387 -0.086 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000832776090 805491866 /nfs/dbraw/zinc/49/18/66/805491866.db2.gz FRCRNFGGAMBWJY-GFCCVEGCSA-N -1 0 305.334 -0.171 20 0 DBADRM O=CN1CCC[C@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000832831521 805493688 /nfs/dbraw/zinc/49/36/88/805493688.db2.gz JHCUZRKLIQDFRT-NSHDSACASA-N -1 0 302.294 -0.073 20 0 DBADRM Cn1cc([C@H]2CN(C(=O)Cn3cc(C(=O)[O-])nn3)CCO2)cn1 ZINC000833043307 805494409 /nfs/dbraw/zinc/49/44/09/805494409.db2.gz MENNXUNILDCRDG-LLVKDONJSA-N -1 0 320.309 -0.690 20 0 DBADRM CN(C)C(=O)c1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])[nH]1 ZINC000833687341 805494999 /nfs/dbraw/zinc/49/49/99/805494999.db2.gz NXIJGPIXCPIQBX-LLVKDONJSA-N -1 0 308.338 -0.508 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)CCc1cn(CC(=O)[O-])nn1 ZINC000833666087 805495173 /nfs/dbraw/zinc/49/51/73/805495173.db2.gz QCFWDBKGQLFQHV-SNVBAGLBSA-N -1 0 318.399 -0.340 20 0 DBADRM CO[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1CCCC1 ZINC000834324640 805497632 /nfs/dbraw/zinc/49/76/32/805497632.db2.gz DMOVRRAWLPWXIY-NSHDSACASA-N -1 0 306.384 -0.226 20 0 DBADRM CCCO[N-]C(=O)C(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21 ZINC000834347565 805498369 /nfs/dbraw/zinc/49/83/69/805498369.db2.gz PRQZWCIJUGLYLY-LBPRGKRZSA-N -1 0 321.333 -0.016 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)[N-]OCC(C)(C)O ZINC000834618404 805513790 /nfs/dbraw/zinc/51/37/90/805513790.db2.gz NYXIYRPDJJOISU-SECBINFHSA-N -1 0 303.359 -0.789 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2nnn(C(C)(C)C)n2)C1=O ZINC000834788404 805517067 /nfs/dbraw/zinc/51/70/67/805517067.db2.gz AGLZUROMEDFXPR-GFCCVEGCSA-N -1 0 309.330 -0.207 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000835114773 805519058 /nfs/dbraw/zinc/51/90/58/805519058.db2.gz ZQGPXNVPWFJMTP-UHFFFAOYSA-N -1 0 301.368 -0.009 20 0 DBADRM O=C(CCCC(=O)C1CC1)[N-]S(=O)(=O)N1CCOCC1 ZINC000835184082 805519406 /nfs/dbraw/zinc/51/94/06/805519406.db2.gz CULXNVJUSIOOAW-UHFFFAOYSA-N -1 0 304.368 -0.171 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cn(-c2cccnc2)nn1 ZINC000835142526 805519523 /nfs/dbraw/zinc/51/95/23/805519523.db2.gz QISHIMUYGGLROG-UHFFFAOYSA-N -1 0 324.366 -0.023 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccn1 ZINC000835297282 805520543 /nfs/dbraw/zinc/52/05/43/805520543.db2.gz YVCGCWNWDMCEHP-BDAKNGLRSA-N -1 0 316.335 -0.144 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000835464614 805520944 /nfs/dbraw/zinc/52/09/44/805520944.db2.gz RZLPFUFGRZXUFX-GHMZBOCLSA-N -1 0 303.384 -0.442 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000836898563 805529425 /nfs/dbraw/zinc/52/94/25/805529425.db2.gz CTXLZDSPFFKIRS-SECBINFHSA-N -1 0 308.342 -0.146 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)[N-]O[C@@H](CO)C(C)C)c(=O)c1 ZINC000836901112 805530138 /nfs/dbraw/zinc/53/01/38/805530138.db2.gz VQBGIEQLZZFIRN-WFASDCNBSA-N -1 0 312.366 -0.028 20 0 DBADRM CC(C)(CO)O[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000836801821 805530209 /nfs/dbraw/zinc/53/02/09/805530209.db2.gz VKWPHPLNBVONIT-UHFFFAOYSA-N -1 0 310.306 -0.036 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C(C)(C)COCC(F)F ZINC000838797728 805545538 /nfs/dbraw/zinc/54/55/38/805545538.db2.gz PNPGQNLGLTVXDN-UHFFFAOYSA-N -1 0 317.310 -0.087 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cn2ccc(C)cc2n1 ZINC000838803577 805545625 /nfs/dbraw/zinc/54/56/25/805545625.db2.gz OCYKBSHRFPVSKI-UHFFFAOYSA-N -1 0 311.319 -0.125 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)Cn1ncc2ccccc21 ZINC000838800920 805545948 /nfs/dbraw/zinc/54/59/48/805545948.db2.gz NRDOIRWHJCAKHA-UHFFFAOYSA-N -1 0 311.319 -0.345 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1n[nH]c2c1CCCCC2 ZINC000838800318 805545986 /nfs/dbraw/zinc/54/59/86/805545986.db2.gz XVSBMUNYSADZJD-UHFFFAOYSA-N -1 0 315.351 -0.089 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)cc1 ZINC000838802883 805546158 /nfs/dbraw/zinc/54/61/58/805546158.db2.gz JYQATQXAFIMRJK-UHFFFAOYSA-N -1 0 315.303 -0.294 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OCO2 ZINC000838806206 805546727 /nfs/dbraw/zinc/54/67/27/805546727.db2.gz GNZXKACUSFULPK-UHFFFAOYSA-N -1 0 315.303 -0.423 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1coc(OCC)n1 ZINC000838847658 805546790 /nfs/dbraw/zinc/54/67/90/805546790.db2.gz ZCRFUDVNKRGIOI-UHFFFAOYSA-N -1 0 306.296 -0.304 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cc1ccc(OC)cn1 ZINC000838814775 805546856 /nfs/dbraw/zinc/54/68/56/805546856.db2.gz JMWYLRRQPVFKHY-UHFFFAOYSA-N -1 0 317.367 -0.428 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000838807450 805546883 /nfs/dbraw/zinc/54/68/83/805546883.db2.gz NGIGIVOBRNJOSG-ZETCQYMHSA-N -1 0 324.355 -0.481 20 0 DBADRM COCC1(C(=O)[N-]S(=O)(=O)N2CCOCC2)CCCC1 ZINC000838812647 805547150 /nfs/dbraw/zinc/54/71/50/805547150.db2.gz NBMKSMQZFAXLAB-UHFFFAOYSA-N -1 0 306.384 -0.114 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)COc1ccccc1OC ZINC000838804717 805547290 /nfs/dbraw/zinc/54/72/90/805547290.db2.gz YNRVOBFFKLISKY-UHFFFAOYSA-N -1 0 317.319 -0.307 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCC(=O)N(CC)CC ZINC000838846101 805547331 /nfs/dbraw/zinc/54/73/31/805547331.db2.gz ZQIYQURLSZOBHI-UHFFFAOYSA-N -1 0 322.383 -0.356 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]1CCCO1 ZINC000838849588 805548225 /nfs/dbraw/zinc/54/82/25/805548225.db2.gz AVBHVCOSAJSDKL-ZJUUUORDSA-N -1 0 323.367 -0.420 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1cnn(C)n1 ZINC000838896621 805548314 /nfs/dbraw/zinc/54/83/14/805548314.db2.gz ZKWBSSLOVZOXIC-VIFPVBQESA-N -1 0 318.355 -0.394 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1ncn(C)n1 ZINC000838893395 805548535 /nfs/dbraw/zinc/54/85/35/805548535.db2.gz HYDFJGPFMXGITG-QMMMGPOBSA-N -1 0 318.355 -0.394 20 0 DBADRM CC(C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)=C1CCC1 ZINC001295481687 805561994 /nfs/dbraw/zinc/56/19/94/805561994.db2.gz RJESAEBAZQJQLD-MRVPVSSYSA-N -1 0 323.353 -0.189 20 0 DBADRM O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1nc(=O)o[n-]1 ZINC001324619518 806992508 /nfs/dbraw/zinc/99/25/08/806992508.db2.gz ABLVCBTXQXYYLO-UHFFFAOYSA-N -1 0 301.262 -0.129 20 0 DBADRM O=C1CCN(S(=O)(=O)c2ccccc2[O-])C2(COC2)CN1 ZINC000882727931 806993311 /nfs/dbraw/zinc/99/33/11/806993311.db2.gz JLPBTGVLHJAAJB-UHFFFAOYSA-N -1 0 312.347 -0.328 20 0 DBADRM Cc1cc(C[C@@H](C)NC(=O)C(=O)[N-]OC2CCOCC2)[nH]n1 ZINC001324692288 807000040 /nfs/dbraw/zinc/00/00/40/807000040.db2.gz BPUGVGFNIPNNTP-SECBINFHSA-N -1 0 310.354 -0.008 20 0 DBADRM CS(=O)(=O)c1n[n-]c(NC(=O)c2cnn3cccnc23)n1 ZINC001324859172 807011704 /nfs/dbraw/zinc/01/17/04/807011704.db2.gz XMFOAVXCOCUTDW-UHFFFAOYSA-N -1 0 307.295 -0.497 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])CC(=O)N1CCO[C@@H](C)C1 ZINC000883413932 807013657 /nfs/dbraw/zinc/01/36/57/807013657.db2.gz GVWYHTYHNIWVLF-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CF)C2)CCO1 ZINC000883635237 807018469 /nfs/dbraw/zinc/01/84/69/807018469.db2.gz NJDDFOPDKCIZQA-VHSXEESVSA-N -1 0 302.302 -0.494 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000883637004 807019092 /nfs/dbraw/zinc/01/90/92/807019092.db2.gz FLNWBHCNTJYHNS-HBNTYKKESA-N -1 0 316.354 -0.572 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](CF)C2)C1 ZINC000883636705 807019124 /nfs/dbraw/zinc/01/91/24/807019124.db2.gz XZEZGUXLMJHHGN-QMTHXVAHSA-N -1 0 316.329 -0.246 20 0 DBADRM CCOC(=O)CC[C@H](C)NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001325141583 807039569 /nfs/dbraw/zinc/03/95/69/807039569.db2.gz LDJHAQTYEDUPFC-WDEREUQCSA-N -1 0 316.354 -0.081 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000884476924 807050895 /nfs/dbraw/zinc/05/08/95/807050895.db2.gz GPXVNYVRIONPBI-NSHDSACASA-N -1 0 306.265 -0.539 20 0 DBADRM CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)NCCOCC(=O)[O-] ZINC000884476696 807050905 /nfs/dbraw/zinc/05/09/05/807050905.db2.gz YDDXILMRXGGILO-NSHDSACASA-N -1 0 315.370 -0.998 20 0 DBADRM CC(C)[C@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])CCS1 ZINC000884474852 807050973 /nfs/dbraw/zinc/05/09/73/807050973.db2.gz OFOISTDJSCBDAX-SNVBAGLBSA-N -1 0 318.395 -0.196 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCc2sccc2C1 ZINC000884474853 807051038 /nfs/dbraw/zinc/05/10/38/807051038.db2.gz OIINPODPBGFWDL-UHFFFAOYSA-N -1 0 312.347 -0.150 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC001325655014 807088744 /nfs/dbraw/zinc/08/87/44/807088744.db2.gz QEPDRRWLOPYQCC-VGIXGZPDSA-N -1 0 312.244 -0.605 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC001325655007 807088890 /nfs/dbraw/zinc/08/88/90/807088890.db2.gz QEPDRRWLOPYQCC-DGAHNEANSA-N -1 0 312.244 -0.605 20 0 DBADRM Cn1cc(C(=O)OCc2nc(=O)n(C)[nH]2)c(Br)n1 ZINC000885681020 807101158 /nfs/dbraw/zinc/10/11/58/807101158.db2.gz FTDLAPULOJVLPW-UHFFFAOYSA-N -1 0 316.115 -0.039 20 0 DBADRM O=c1nc(CNS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)[n-]o1 ZINC001325872546 807113600 /nfs/dbraw/zinc/11/36/00/807113600.db2.gz IWVQYLNOSRGBIP-UHFFFAOYSA-N -1 0 322.302 -0.317 20 0 DBADRM O=C(c1cccc(F)c1[O-])N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000886196783 807123443 /nfs/dbraw/zinc/12/34/43/807123443.db2.gz BSRQPBREWUVSRW-QMMMGPOBSA-N -1 0 315.326 -0.494 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1 ZINC001326118072 807147631 /nfs/dbraw/zinc/14/76/31/807147631.db2.gz VEHXNWLLXHDWQR-UHFFFAOYSA-N -1 0 323.305 -0.404 20 0 DBADRM CCN(OC)C(=O)CNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001326155603 807155233 /nfs/dbraw/zinc/15/52/33/807155233.db2.gz GEOBRKKWRKGFQB-UHFFFAOYSA-N -1 0 315.248 -0.487 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)c1ccns1)C2 ZINC000887331597 807155438 /nfs/dbraw/zinc/15/54/38/807155438.db2.gz YLLVCAOHGQIABW-GMSGAONNSA-N -1 0 304.349 -0.135 20 0 DBADRM Cc1ncc(Br)c(C(=O)[N-]N2CC(=O)NC2=O)n1 ZINC001326308739 807169767 /nfs/dbraw/zinc/16/97/67/807169767.db2.gz XCQDRORFUHXCKG-UHFFFAOYSA-N -1 0 314.099 -0.256 20 0 DBADRM CCOCCO[C@@H](C)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001326398165 807177557 /nfs/dbraw/zinc/17/75/57/807177557.db2.gz SMAULYXYZSGVCC-JTQLQIEISA-N -1 0 313.358 -0.549 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC001326451066 807182758 /nfs/dbraw/zinc/18/27/58/807182758.db2.gz KWSMZARYEZLNAF-VIFPVBQESA-N -1 0 301.343 -0.804 20 0 DBADRM Cc1noc(C)c1NC(=O)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001326503401 807187502 /nfs/dbraw/zinc/18/75/02/807187502.db2.gz SBKQDPHZRQMJIQ-JTQLQIEISA-N -1 0 321.293 -0.094 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCc2nnn[n-]2)c(C(F)(F)F)n1 ZINC001326527177 807190357 /nfs/dbraw/zinc/19/03/57/807190357.db2.gz OSXIRWZIHWJEEF-UHFFFAOYSA-N -1 0 318.219 -0.793 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)c1ncn(C)n1 ZINC001326547577 807192340 /nfs/dbraw/zinc/19/23/40/807192340.db2.gz PHZSZCJWXMFLKA-VIFPVBQESA-N -1 0 323.353 -0.294 20 0 DBADRM Cn1cnc(CCNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC001326546263 807192630 /nfs/dbraw/zinc/19/26/30/807192630.db2.gz DAUZTOIYAHKSRR-VHSXEESVSA-N -1 0 308.338 -0.552 20 0 DBADRM CN(C)[C@H](CNC(=O)C(=O)NCCCC(=O)[O-])c1ccco1 ZINC001326548301 807193507 /nfs/dbraw/zinc/19/35/07/807193507.db2.gz WKCMKWLKBPITAC-SNVBAGLBSA-N -1 0 311.338 -0.021 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001326651589 807202316 /nfs/dbraw/zinc/20/23/16/807202316.db2.gz LHZUJIRVEPFBJG-VHSXEESVSA-N -1 0 322.383 -0.990 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[C@@H]1CCO[C@@H](C)C1 ZINC001326681968 807204679 /nfs/dbraw/zinc/20/46/79/807204679.db2.gz NYOPVYKJJPJBGO-WDEREUQCSA-N -1 0 315.370 -0.508 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC001326687704 807205549 /nfs/dbraw/zinc/20/55/49/807205549.db2.gz BHUXSLXBNQNVAS-AOOOYVTPSA-N -1 0 315.370 -0.367 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ncc(COC)s1 ZINC001326790805 807211815 /nfs/dbraw/zinc/21/18/15/807211815.db2.gz JEVQQHFTKHTAAS-UHFFFAOYSA-N -1 0 316.339 -0.588 20 0 DBADRM COCCOCCN1CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC001326807528 807215224 /nfs/dbraw/zinc/21/52/24/807215224.db2.gz PEIZGSGJBZRVLV-GFCCVEGCSA-N -1 0 317.386 -0.303 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H](C)C(=O)OC(C)(C)C ZINC001326887938 807222303 /nfs/dbraw/zinc/22/23/03/807222303.db2.gz KXTIASGAAKUMPU-SECBINFHSA-N -1 0 304.343 -0.225 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)C[C@@H]1CCOC1 ZINC001326984252 807228177 /nfs/dbraw/zinc/22/81/77/807228177.db2.gz QLZAJWGGYLWHLX-UWVGGRQHSA-N -1 0 301.343 -0.898 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC(N2CCCC2)C1 ZINC000898609901 807228665 /nfs/dbraw/zinc/22/86/65/807228665.db2.gz FPGQFTUFBUKGOV-UHFFFAOYSA-N -1 0 302.338 -0.622 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)NCCCO[C@H]1CCOC1 ZINC001327107222 807242399 /nfs/dbraw/zinc/24/23/99/807242399.db2.gz FYOLHSRBTAAGJS-LBPRGKRZSA-N -1 0 316.354 -0.475 20 0 DBADRM Cc1nc2ccnn2cc1C(=O)[N-]N1C(=O)[C@@H](C)N(C)C1=O ZINC000899039257 807244282 /nfs/dbraw/zinc/24/42/82/807244282.db2.gz WENMFRXNFIKFEL-MRVPVSSYSA-N -1 0 302.294 -0.035 20 0 DBADRM CC(C)(C)n1[n-]cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1=O ZINC000899238146 807254046 /nfs/dbraw/zinc/25/40/46/807254046.db2.gz XHJHSGPQGKTWSB-RKDXNWHRSA-N -1 0 301.368 -0.468 20 0 DBADRM CCN([C@@H](C)C(=O)[O-])S(=O)(=O)N(CCOC)CCOC ZINC000899561376 807263308 /nfs/dbraw/zinc/26/33/08/807263308.db2.gz OEPZZOBFQZSTTQ-JTQLQIEISA-N -1 0 312.388 -0.379 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC001327346190 807265888 /nfs/dbraw/zinc/26/58/88/807265888.db2.gz JYBGXSDMHDTJOB-SNVBAGLBSA-N -1 0 321.399 -0.912 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2CC[C@]2(C(=O)[O-])C1 ZINC000899954929 807278508 /nfs/dbraw/zinc/27/85/08/807278508.db2.gz OVOBPDHIBWRTCM-AUTRQRHGSA-N -1 0 304.368 -0.411 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001327472783 807288783 /nfs/dbraw/zinc/28/87/83/807288783.db2.gz SXCWCIKAECCDTC-UHFFFAOYSA-N -1 0 320.349 -0.233 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC001327507749 807295204 /nfs/dbraw/zinc/29/52/04/807295204.db2.gz OQPXIOZXZNQSBB-QMMMGPOBSA-N -1 0 314.367 -0.187 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CCC[C@H]1OC ZINC001327507708 807295382 /nfs/dbraw/zinc/29/53/82/807295382.db2.gz OGHPZTCFTGCFJW-VHSXEESVSA-N -1 0 301.343 -0.898 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC001327506759 807295475 /nfs/dbraw/zinc/29/54/75/807295475.db2.gz HJDOXKYTBNXGNU-SECBINFHSA-N -1 0 301.343 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCC[C@H]1OCC ZINC001327547484 807301760 /nfs/dbraw/zinc/30/17/60/807301760.db2.gz IPPFNXZKHLVXAG-NXEZZACHSA-N -1 0 301.343 -0.756 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC(N2CCOC2=O)CC1 ZINC001327599228 807310667 /nfs/dbraw/zinc/31/06/67/807310667.db2.gz SJXQJEFFVBJZGH-ZDUSSCGKSA-N -1 0 300.311 -0.081 20 0 DBADRM Cn1ncc(N2CCOC[C@H]2C(=O)[O-])c(Br)c1=O ZINC000900946700 807334960 /nfs/dbraw/zinc/33/49/60/807334960.db2.gz YVCVOPQCROMHNU-ZETCQYMHSA-N -1 0 318.127 -0.167 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001327819352 807341044 /nfs/dbraw/zinc/34/10/44/807341044.db2.gz PVDYJHXYNQFBKA-GQCTYLIASA-N -1 0 316.335 -0.001 20 0 DBADRM O=C(c1ncnc2[nH]ccc21)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001327923100 807356455 /nfs/dbraw/zinc/35/64/55/807356455.db2.gz KTOPMXMNDNOHEA-QMMMGPOBSA-N -1 0 300.282 -0.364 20 0 DBADRM COc1ccc(COCC(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000901447458 807364314 /nfs/dbraw/zinc/36/43/14/807364314.db2.gz JEYBJOIRJDDIMN-NSHDSACASA-N -1 0 310.306 -0.081 20 0 DBADRM COc1ccc(COCC(=O)N2CCOC[C@@H]2C(=O)[O-])cn1 ZINC000901573418 807364416 /nfs/dbraw/zinc/36/44/16/807364416.db2.gz XMKQGGFTNVOOQN-LLVKDONJSA-N -1 0 310.306 -0.081 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N3CCC[C@@H]3C(=O)[O-])CC2=O)cn1 ZINC000901441429 807364886 /nfs/dbraw/zinc/36/48/86/807364886.db2.gz BIMMSDMFOPTXGO-GXSJLCMTSA-N -1 0 306.322 -0.151 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)CN1CCCCS1(=O)=O)C1CC1 ZINC000901639473 807365130 /nfs/dbraw/zinc/36/51/30/807365130.db2.gz LBEBPVCZOSPLSU-VIFPVBQESA-N -1 0 304.368 -0.124 20 0 DBADRM CN(CCn1cccn1)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC000901596132 807365213 /nfs/dbraw/zinc/36/52/13/807365213.db2.gz DTSVXIUEIQDYQH-UHFFFAOYSA-N -1 0 304.306 -0.098 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)Cc2ccccc2C(=O)[O-])CCO1 ZINC000901622153 807365361 /nfs/dbraw/zinc/36/53/61/807365361.db2.gz FJQQZMZCWOXTHS-GFCCVEGCSA-N -1 0 306.318 -0.099 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CC(F)(F)C(F)F ZINC000901655274 807365682 /nfs/dbraw/zinc/36/56/82/807365682.db2.gz ZQSXPAKALNUXIT-YFKPBYRVSA-N -1 0 321.248 -0.013 20 0 DBADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000901653257 807365729 /nfs/dbraw/zinc/36/57/29/807365729.db2.gz UOPVVIYOGYWEEW-NMUGVGKYSA-N -1 0 301.364 -0.011 20 0 DBADRM COCCN(CCOC)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC000901842034 807365949 /nfs/dbraw/zinc/36/59/49/807365949.db2.gz DOCAWWXXPKIZBC-UHFFFAOYSA-N -1 0 312.322 -0.332 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000901817249 807366019 /nfs/dbraw/zinc/36/60/19/807366019.db2.gz KNNGAOJTFYGKBT-RQJHMYQMSA-N -1 0 312.244 -0.292 20 0 DBADRM CCc1nsc(N2CCN(C(=O)[C@@H](OC)C(=O)[O-])CC2)n1 ZINC000901798835 807366125 /nfs/dbraw/zinc/36/61/25/807366125.db2.gz OLOVWCRCTYMBNU-SECBINFHSA-N -1 0 314.367 -0.151 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000901727164 807366235 /nfs/dbraw/zinc/36/62/35/807366235.db2.gz YXXFSZICUBPQLE-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000901789419 807366466 /nfs/dbraw/zinc/36/64/66/807366466.db2.gz LPVISIJTJAZCCY-ZETOZRRWSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C[C@@H]1C(=O)[O-] ZINC000901699267 807366497 /nfs/dbraw/zinc/36/64/97/807366497.db2.gz NBWQEQRLRMSUSK-MNOVXSKESA-N -1 0 318.395 -0.019 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000901891812 807366640 /nfs/dbraw/zinc/36/66/40/807366640.db2.gz PYRRPSXARWDDKV-RNCFNFMXSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CN1CCCCS1(=O)=O ZINC000901993117 807366783 /nfs/dbraw/zinc/36/67/83/807366783.db2.gz PTIZRKZAYFMQAI-NXEZZACHSA-N -1 0 304.368 -0.124 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1ccn3nccc3n1)C2 ZINC000902058152 807367673 /nfs/dbraw/zinc/36/76/73/807367673.db2.gz KQLIJAAQKKFOBE-YMTOWFKASA-N -1 0 302.290 -0.098 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)CC2 ZINC000902062007 807367734 /nfs/dbraw/zinc/36/77/34/807367734.db2.gz ZHSJADCGMOGHMM-IQMDTDKHSA-N -1 0 320.349 -0.520 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1C(=O)CN1CCCCS1(=O)=O ZINC000902106398 807368311 /nfs/dbraw/zinc/36/83/11/807368311.db2.gz BJUIAEOEUWPERX-GFCCVEGCSA-N -1 0 304.368 -0.122 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000902149405 807368854 /nfs/dbraw/zinc/36/88/54/807368854.db2.gz VTLCBAIDBGAOIL-RNCFNFMXSA-N -1 0 316.379 -0.266 20 0 DBADRM CCOC[C@@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)CCO1 ZINC000902186527 807369499 /nfs/dbraw/zinc/36/94/99/807369499.db2.gz FWBIBBCDPOYNGZ-NSHDSACASA-N -1 0 324.333 -0.190 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCOc1cccnc1 ZINC001328036614 807369833 /nfs/dbraw/zinc/36/98/33/807369833.db2.gz HADBNPGFNCYFGR-NSHDSACASA-N -1 0 309.322 -0.339 20 0 DBADRM Cn1nnc(CN2c3ccc(F)cc3C([O-])=CS2(=O)=O)n1 ZINC000902475561 807374566 /nfs/dbraw/zinc/37/45/66/807374566.db2.gz LTLNUKQRKSDVSB-UHFFFAOYSA-N -1 0 311.298 -0.118 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000902627906 807379130 /nfs/dbraw/zinc/37/91/30/807379130.db2.gz LRFCKHRSJPHCOT-QYTUQVAYSA-N -1 0 301.364 -0.010 20 0 DBADRM CCN1CCO[C@H](C(=O)N(CCC(=O)OC)CC(=O)[O-])C1 ZINC000902716809 807380351 /nfs/dbraw/zinc/38/03/51/807380351.db2.gz MLKKQYNFCJLBON-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM CCc1ccc(CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)nc1 ZINC000902770136 807380517 /nfs/dbraw/zinc/38/05/17/807380517.db2.gz DSZFHKIWPWMYLQ-UHFFFAOYSA-N -1 0 305.334 -0.058 20 0 DBADRM CO[C@@]1(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCSC1 ZINC000902770377 807380560 /nfs/dbraw/zinc/38/05/60/807380560.db2.gz KPJLSIJRJRUIHD-LBPRGKRZSA-N -1 0 302.352 -0.736 20 0 DBADRM Cc1ncc2n1C[C@@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)CC2 ZINC000902770343 807380710 /nfs/dbraw/zinc/38/07/10/807380710.db2.gz JKSRQZWGGNKOSC-NSHDSACASA-N -1 0 320.349 -0.491 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2csc3cncn32)CC1 ZINC000902776862 807381433 /nfs/dbraw/zinc/38/14/33/807381433.db2.gz XXEBASOKTLFPGA-UHFFFAOYSA-N -1 0 308.319 -0.235 20 0 DBADRM C[C@@H]1CCn2cc(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)nc2C1 ZINC000902773408 807381468 /nfs/dbraw/zinc/38/14/68/807381468.db2.gz RQJGYJKUEIRUNF-SNVBAGLBSA-N -1 0 320.349 -0.166 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cc2cnn3c2CCCC3)CC1 ZINC000902773766 807381474 /nfs/dbraw/zinc/38/14/74/807381474.db2.gz YBFHLTLNJKOWDY-UHFFFAOYSA-N -1 0 320.349 -0.483 20 0 DBADRM CCO[C@@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)[C@H]1CCOC1 ZINC000902773691 807381561 /nfs/dbraw/zinc/38/15/61/807381561.db2.gz WIOZBRCXFIPTOE-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)CC2 ZINC000902775320 807382010 /nfs/dbraw/zinc/38/20/10/807382010.db2.gz TWXHQQGDLUKBQS-SNVBAGLBSA-N -1 0 320.349 -0.720 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC000902782220 807382386 /nfs/dbraw/zinc/38/23/86/807382386.db2.gz ABPWCDLOSIUDIV-CQSZACIVSA-N -1 0 311.338 -1.000 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])CCO1 ZINC000903048613 807386822 /nfs/dbraw/zinc/38/68/22/807386822.db2.gz PSJXQHULJVRYMR-AXFHLTTASA-N -1 0 318.395 -0.006 20 0 DBADRM CO[C@]1(CNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCSC1 ZINC000903064820 807387419 /nfs/dbraw/zinc/38/74/19/807387419.db2.gz OZLXQUCVKHALMA-KOLCDFICSA-N -1 0 324.424 -0.108 20 0 DBADRM COC[C@H]1COCCN1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000903530361 807393301 /nfs/dbraw/zinc/39/33/01/807393301.db2.gz BIHJCZVPENWSAH-VHSXEESVSA-N -1 0 308.356 -0.873 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCO[C@H]1CC1(F)F ZINC001328242263 807397996 /nfs/dbraw/zinc/39/79/96/807397996.db2.gz UQBYKRZQSHEUGN-BDAKNGLRSA-N -1 0 308.281 -0.389 20 0 DBADRM CC[C@H](CO)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001328333614 807412820 /nfs/dbraw/zinc/41/28/20/807412820.db2.gz NAUOVLOJILHXFA-MRVPVSSYSA-N -1 0 312.326 -0.472 20 0 DBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)CC1(F)CCC1 ZINC000903840324 807418022 /nfs/dbraw/zinc/41/80/22/807418022.db2.gz GRYBCSWFMLGADE-DCXZOGHSSA-N -1 0 313.372 -0.274 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903876931 807419012 /nfs/dbraw/zinc/41/90/12/807419012.db2.gz IVCBMGIDQOCMRS-KXUCPTDWSA-N -1 0 306.384 -0.165 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2nncn2C)C[C@H]1C(=O)[O-] ZINC001328400180 807422242 /nfs/dbraw/zinc/42/22/42/807422242.db2.gz DPDOKXAQWMOBAQ-NXEZZACHSA-N -1 0 323.353 -0.657 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCC(F)(F)C1 ZINC000904936648 807428047 /nfs/dbraw/zinc/42/80/47/807428047.db2.gz PIOGOIXDHZOACX-UHFFFAOYSA-N -1 0 308.281 -0.196 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCOCC[C@H]1C ZINC000904937007 807428073 /nfs/dbraw/zinc/42/80/73/807428073.db2.gz UCZGDEQLLVPSSS-LLVKDONJSA-N -1 0 316.354 -0.427 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N(C)C[C@@H](C)OC ZINC000904945917 807428407 /nfs/dbraw/zinc/42/84/07/807428407.db2.gz AFCVDODJEYWLDS-SNVBAGLBSA-N -1 0 304.343 -0.571 20 0 DBADRM O=C([O-])[C@@H](C(=O)N1CCN(CC(=O)NC2CC2)CC1)C1CC1 ZINC001328472233 807430825 /nfs/dbraw/zinc/43/08/25/807430825.db2.gz IUNPPFLJMDEYOD-CYBMUJFWSA-N -1 0 309.366 -0.480 20 0 DBADRM CCCCCN(CC(N)=O)Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001328482947 807432612 /nfs/dbraw/zinc/43/26/12/807432612.db2.gz UDPHDSXHGGACFV-UHFFFAOYSA-N -1 0 307.358 -0.523 20 0 DBADRM CN1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2F)CC1=O ZINC000905200446 807449430 /nfs/dbraw/zinc/44/94/30/807449430.db2.gz RORBHRQEMASFHS-UHFFFAOYSA-N -1 0 302.283 -0.056 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)[N-]OC1CCC1 ZINC001328724994 807460571 /nfs/dbraw/zinc/46/05/71/807460571.db2.gz SMLDKYFWANHXSS-UHFFFAOYSA-N -1 0 301.324 -0.545 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cnn(C(F)F)c1 ZINC001328727921 807461068 /nfs/dbraw/zinc/46/10/68/807461068.db2.gz QJZKXGKSHLGYLW-UHFFFAOYSA-N -1 0 305.241 -0.599 20 0 DBADRM O=C(Cc1nc2ncccn2n1)[N-]OCCN1CCCC1=O ZINC001328829762 807474254 /nfs/dbraw/zinc/47/42/54/807474254.db2.gz YBMQPYWSEIHOLM-UHFFFAOYSA-N -1 0 304.310 -0.663 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1nn(C)c2ccccc21 ZINC000906291918 807480749 /nfs/dbraw/zinc/48/07/49/807480749.db2.gz UZDKDDNMYGZJOW-UHFFFAOYSA-N -1 0 301.310 -0.120 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H](C)C(=O)NCC(F)(F)F ZINC001328873902 807481571 /nfs/dbraw/zinc/48/15/71/807481571.db2.gz YIYOVHZENZNXKW-ZCFIWIBFSA-N -1 0 314.264 -0.580 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)c1cnccc1C ZINC001328944310 807492159 /nfs/dbraw/zinc/49/21/59/807492159.db2.gz RJHDFZOSRBORDW-JTQLQIEISA-N -1 0 308.338 -0.249 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCCn2cncn2)CC[C@@H]1C(=O)[O-] ZINC001328966116 807496673 /nfs/dbraw/zinc/49/66/73/807496673.db2.gz VETSBTKZKNDMNB-MNOVXSKESA-N -1 0 323.353 -0.646 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(CC)(CO)CC1 ZINC001328996942 807502936 /nfs/dbraw/zinc/50/29/36/807502936.db2.gz AJZSBQZXDUWGDV-UHFFFAOYSA-N -1 0 315.370 -0.819 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@@H]1C[C@@H](C)O ZINC001329001085 807503887 /nfs/dbraw/zinc/50/38/87/807503887.db2.gz QRSGYEDCYZQCJP-GHMZBOCLSA-N -1 0 315.370 -0.678 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC001329025442 807507109 /nfs/dbraw/zinc/50/71/09/807507109.db2.gz WBVRBIZAORZCDS-AVJHPGPQSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCCCCS(C)(=O)=O)C(=O)[O-] ZINC001329121553 807525263 /nfs/dbraw/zinc/52/52/63/807525263.db2.gz RPJWYKAQLFBPNS-VIFPVBQESA-N -1 0 322.383 -0.846 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907473016 807531108 /nfs/dbraw/zinc/53/11/08/807531108.db2.gz BAXQZDOGLBQRBU-IUCAKERBSA-N -1 0 310.383 -0.173 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(C)(O)CC2)CC[C@H]1C(=O)[O-] ZINC001329161769 807531169 /nfs/dbraw/zinc/53/11/69/807531169.db2.gz BNMXZSIEDPMDFV-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM O=C(CCN1CCCC1=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907478690 807531204 /nfs/dbraw/zinc/53/12/04/807531204.db2.gz YCVKYDBWHMKHHM-VIFPVBQESA-N -1 0 310.383 -0.171 20 0 DBADRM O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907473670 807531725 /nfs/dbraw/zinc/53/17/25/807531725.db2.gz DLLSOQCUCGMYCH-SCZZXKLOSA-N -1 0 322.394 -0.173 20 0 DBADRM O=C(CCN1CCCC1=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907478689 807532101 /nfs/dbraw/zinc/53/21/01/807532101.db2.gz YCVKYDBWHMKHHM-SECBINFHSA-N -1 0 310.383 -0.171 20 0 DBADRM O=C([N-]OCCO)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC000907482799 807532579 /nfs/dbraw/zinc/53/25/79/807532579.db2.gz JNFOWCWIIIJFLN-KOLCDFICSA-N -1 0 309.240 -0.163 20 0 DBADRM COCCCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001329215863 807539828 /nfs/dbraw/zinc/53/98/28/807539828.db2.gz DJHNAGJWFKARCJ-AWEZNQCLSA-N -1 0 300.355 -0.199 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CC(F)(F)C(F)F ZINC000907684736 807544527 /nfs/dbraw/zinc/54/45/27/807544527.db2.gz UYPFABWCDSGVHZ-UHFFFAOYSA-N -1 0 308.253 -0.141 20 0 DBADRM C[C@H](NC(=O)CN1CSCC1=O)C1(C(=O)[O-])CCOCC1 ZINC000907895925 807559592 /nfs/dbraw/zinc/55/95/92/807559592.db2.gz GJQPJVILEDULSG-VIFPVBQESA-N -1 0 316.379 -0.095 20 0 DBADRM COC(=O)[C@](C)(Cn1cccn1)[N-]S(=O)(=O)C[C@H](C)OC ZINC000908397950 807592023 /nfs/dbraw/zinc/59/20/23/807592023.db2.gz XDLPXURQIVWMRB-JQWIXIFHSA-N -1 0 319.383 -0.231 20 0 DBADRM COC(=O)[C@@](C)(Cn1cccn1)[N-]S(=O)(=O)C[C@H](C)OC ZINC000908397948 807592132 /nfs/dbraw/zinc/59/21/32/807592132.db2.gz XDLPXURQIVWMRB-CMPLNLGQSA-N -1 0 319.383 -0.231 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)CN1CSCC1=O ZINC000908425993 807594067 /nfs/dbraw/zinc/59/40/67/807594067.db2.gz UCIAGJGGMOMJAX-MRVPVSSYSA-N -1 0 324.362 -0.155 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCCCCS(C)(=O)=O ZINC001329634893 807596008 /nfs/dbraw/zinc/59/60/08/807596008.db2.gz CPDVDEKFTBAJKU-UHFFFAOYSA-N -1 0 309.388 -0.432 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC1CCN(C(C)=O)CC1 ZINC001329637178 807597065 /nfs/dbraw/zinc/59/70/65/807597065.db2.gz UTCMWFHUKKRCJM-UHFFFAOYSA-N -1 0 300.359 -0.388 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000908659395 807601065 /nfs/dbraw/zinc/60/10/65/807601065.db2.gz BKPJBMFYAVLZQA-VIFPVBQESA-N -1 0 307.372 -0.810 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000908959669 807606606 /nfs/dbraw/zinc/60/66/06/807606606.db2.gz QTLZPCAOESHZIS-SNVBAGLBSA-N -1 0 310.354 -0.130 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)NC[C@]1(OC)CCOC1 ZINC000909190360 807610780 /nfs/dbraw/zinc/61/07/80/807610780.db2.gz NVRJCVKKEVNZBF-ZWNOBZJWSA-N -1 0 304.343 -0.077 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CN1CCCCS1(=O)=O ZINC000909807685 807617715 /nfs/dbraw/zinc/61/77/15/807617715.db2.gz UPZDBYBNOULILV-UWVGGRQHSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CN(C)S(=O)(=O)N(C)C ZINC000909807937 807617744 /nfs/dbraw/zinc/61/77/44/807617744.db2.gz IFDWHBMQVWKNLY-IUCAKERBSA-N -1 0 307.372 -0.954 20 0 DBADRM CN1CC[C@@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])C1=O ZINC001329806913 807621791 /nfs/dbraw/zinc/62/17/91/807621791.db2.gz MWGPFQLKSXJYFL-MRVPVSSYSA-N -1 0 306.278 -0.935 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001329814248 807623520 /nfs/dbraw/zinc/62/35/20/807623520.db2.gz ZGZHWEKYAUVNIS-VXGBXAGGSA-N -1 0 323.324 -0.018 20 0 DBADRM C[C@]1(CO)CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC001329824649 807624785 /nfs/dbraw/zinc/62/47/85/807624785.db2.gz XBQKGKCJTYHJMJ-AWEZNQCLSA-N -1 0 312.366 -0.022 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@](O)(C3CC3)C2)CCC1 ZINC001329823332 807625190 /nfs/dbraw/zinc/62/51/90/807625190.db2.gz KCLIKYYKOWDAOZ-OAHLLOKOSA-N -1 0 310.350 -0.269 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCC[C@H]1CCOC1 ZINC001329840665 807628110 /nfs/dbraw/zinc/62/81/10/807628110.db2.gz CGUZFIUNRZXWCP-JTQLQIEISA-N -1 0 301.343 -0.897 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCC[C@@H]1CCOC1 ZINC001329840666 807628178 /nfs/dbraw/zinc/62/81/78/807628178.db2.gz CGUZFIUNRZXWCP-SNVBAGLBSA-N -1 0 301.343 -0.897 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](CC)O[C@@H](C)C1 ZINC001329864096 807633799 /nfs/dbraw/zinc/63/37/99/807633799.db2.gz XUYFYWDBZIAZRT-VHSXEESVSA-N -1 0 301.343 -0.804 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H](C)c1nnnn1C1CC1 ZINC001329943948 807645386 /nfs/dbraw/zinc/64/53/86/807645386.db2.gz JMBVGRSJUASLSP-ZETCQYMHSA-N -1 0 314.371 -0.404 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H](C)c1nnnn1C1CC1 ZINC001329943946 807645663 /nfs/dbraw/zinc/64/56/63/807645663.db2.gz JMBVGRSJUASLSP-SSDOTTSWSA-N -1 0 314.371 -0.404 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001329952233 807646992 /nfs/dbraw/zinc/64/69/92/807646992.db2.gz OVJYDFOTQGNWDV-UHFFFAOYSA-N -1 0 311.382 -0.088 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000923079243 807648314 /nfs/dbraw/zinc/64/83/14/807648314.db2.gz PGZPAUCGOLROAI-LPEHRKFASA-N -1 0 300.359 -0.297 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000923079244 807648385 /nfs/dbraw/zinc/64/83/85/807648385.db2.gz PGZPAUCGOLROAI-OPRDCNLKSA-N -1 0 300.359 -0.297 20 0 DBADRM Cc1nn(C)c2ncc(S(=O)(=O)NCc3nc(=O)o[n-]3)cc12 ZINC001329956165 807648716 /nfs/dbraw/zinc/64/87/16/807648716.db2.gz FTNMRUFAAVOJKP-UHFFFAOYSA-N -1 0 324.322 -0.568 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC000923080002 807648961 /nfs/dbraw/zinc/64/89/61/807648961.db2.gz VIHYGDNIRZJFOG-NXEZZACHSA-N -1 0 301.343 -0.105 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@H](O)Cc1ccccc1 ZINC000923247572 807654716 /nfs/dbraw/zinc/65/47/16/807654716.db2.gz ICAGARGFVLEQSM-OLZOCXBDSA-N -1 0 313.375 -0.226 20 0 DBADRM Cc1nn(C)c2cc(NC(=O)C(=O)NCc3nnn[n-]3)ccc12 ZINC001330085788 807671271 /nfs/dbraw/zinc/67/12/71/807671271.db2.gz BOBWNPIRIFDBRI-UHFFFAOYSA-N -1 0 314.309 -0.350 20 0 DBADRM O=C(c1nccn2ccnc12)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001330359350 807703061 /nfs/dbraw/zinc/70/30/61/807703061.db2.gz AFXLTUDSMFRKRO-QMMMGPOBSA-N -1 0 300.282 -0.544 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cc(Cn3cccn3)on2)C1=O ZINC001330398506 807707208 /nfs/dbraw/zinc/70/72/08/807707208.db2.gz OPHPAVSTUZKZPP-UHFFFAOYSA-N -1 0 304.266 -0.542 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1cn(C)nc1Br ZINC000924565579 807717981 /nfs/dbraw/zinc/71/79/81/807717981.db2.gz WRJIOYULMXAZNZ-UHFFFAOYSA-N -1 0 320.147 -0.341 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccnc(OCCO)c1)C(=O)[O-] ZINC001330503707 807724196 /nfs/dbraw/zinc/72/41/96/807724196.db2.gz DDYIIAULWRTOEK-MRVPVSSYSA-N -1 0 311.294 -0.772 20 0 DBADRM COCCCn1nc(C(=O)N[C@H](COC)C(=O)[O-])ccc1=O ZINC001330514750 807725967 /nfs/dbraw/zinc/72/59/67/807725967.db2.gz YZCAYIRSVLEHDQ-SNVBAGLBSA-N -1 0 313.310 -0.891 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCOC[C@H]2CC2CC2)C1 ZINC000926276091 807756413 /nfs/dbraw/zinc/75/64/13/807756413.db2.gz GNCBWYZOZGZVTI-NWDGAFQWSA-N -1 0 310.350 -0.053 20 0 DBADRM COC[C@H]1COCCN1C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000926276743 807757209 /nfs/dbraw/zinc/75/72/09/807757209.db2.gz LFLZYJXSTYKSDM-ZJUUUORDSA-N -1 0 302.327 -0.961 20 0 DBADRM COC[C@@H]1COCCN1C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000926276740 807757443 /nfs/dbraw/zinc/75/74/43/807757443.db2.gz LFLZYJXSTYKSDM-NXEZZACHSA-N -1 0 302.327 -0.961 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCCOCC2)C[C@H]1C1CC1 ZINC000926311717 807758102 /nfs/dbraw/zinc/75/81/02/807758102.db2.gz YOFJAASHQIUHFU-NWDGAFQWSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC000926339316 807761767 /nfs/dbraw/zinc/76/17/67/807761767.db2.gz LYFCOLHPQBSING-ZBAXXZLZSA-N -1 0 324.377 -0.215 20 0 DBADRM CCOCCn1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cn1 ZINC001331068778 807767611 /nfs/dbraw/zinc/76/76/11/807767611.db2.gz UTJXVWFLMIAHQK-NSHDSACASA-N -1 0 317.367 -0.232 20 0 DBADRM CCOCCn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cn1 ZINC001331068777 807767710 /nfs/dbraw/zinc/76/77/10/807767710.db2.gz UTJXVWFLMIAHQK-LLVKDONJSA-N -1 0 317.367 -0.232 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(C(=O)O[C@H]3CCOC3)C2)C1 ZINC000926469801 807773312 /nfs/dbraw/zinc/77/33/12/807773312.db2.gz CGTBDYNOBAXDLK-VWYCJHECSA-N -1 0 312.322 -0.081 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC[C@H](N(C)C)C(F)(F)F ZINC000926829712 807778284 /nfs/dbraw/zinc/77/82/84/807778284.db2.gz GKRKZVKGCUSHRE-ZETCQYMHSA-N -1 0 300.281 -0.154 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC(C(=O)NCC(C)C)CC1 ZINC000927203664 807783338 /nfs/dbraw/zinc/78/33/38/807783338.db2.gz AOUOXANMSPZHOB-UHFFFAOYSA-N -1 0 314.386 -0.142 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000927204637 807783902 /nfs/dbraw/zinc/78/39/02/807783902.db2.gz MUBVNOGZCAUYJQ-UHFFFAOYSA-N -1 0 312.292 -0.056 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000927205803 807783910 /nfs/dbraw/zinc/78/39/10/807783910.db2.gz MLQXIORENBOSIW-UHFFFAOYSA-N -1 0 307.354 -0.414 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000927212937 807784599 /nfs/dbraw/zinc/78/45/99/807784599.db2.gz YRHNPEALMGLFOF-UHFFFAOYSA-N -1 0 300.359 -0.295 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCNC(=O)[C@H]1c1cccs1 ZINC000927210866 807784686 /nfs/dbraw/zinc/78/46/86/807784686.db2.gz IBQDYAWTZFHDST-SNVBAGLBSA-N -1 0 312.351 -0.392 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000927210998 807784754 /nfs/dbraw/zinc/78/47/54/807784754.db2.gz IXOJIBUMCJCNOW-LBPRGKRZSA-N -1 0 322.365 -0.337 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCCN(Cc2nccn2C)CC1 ZINC000927212069 807784884 /nfs/dbraw/zinc/78/48/84/807784884.db2.gz SLBDGROADJFRJD-UHFFFAOYSA-N -1 0 324.385 -0.685 20 0 DBADRM CC[C@H]1CN(C(=O)NCC(=O)[N-]OC)C[C@H]1N1CCOCC1 ZINC000927211817 807784916 /nfs/dbraw/zinc/78/49/16/807784916.db2.gz GJPHRQFXJAMRQF-NWDGAFQWSA-N -1 0 314.386 -0.584 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000927211246 807785001 /nfs/dbraw/zinc/78/50/01/807785001.db2.gz AVWJEXHXSQNZJM-UHFFFAOYSA-N -1 0 311.317 -0.270 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(c2cnccc2C)CC1 ZINC000927214612 807785513 /nfs/dbraw/zinc/78/55/13/807785513.db2.gz PHFPSYPBJSWJPX-UHFFFAOYSA-N -1 0 307.354 -0.101 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000927214617 807785912 /nfs/dbraw/zinc/78/59/12/807785912.db2.gz AYNQFHKFMHVDOA-SNVBAGLBSA-N -1 0 300.359 -0.390 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCOCC2(CCOCC2)C1 ZINC000927217726 807786680 /nfs/dbraw/zinc/78/66/80/807786680.db2.gz QDTMQKCKMDSSDD-UHFFFAOYSA-N -1 0 301.343 -0.497 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)NCCCCC(=O)[O-])n1 ZINC001331306907 807786857 /nfs/dbraw/zinc/78/68/57/807786857.db2.gz PGBQLJHNAZSZRF-UHFFFAOYSA-N -1 0 308.338 -0.185 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(c2ccnc(F)c2)CC1 ZINC000927217440 807787003 /nfs/dbraw/zinc/78/70/03/807787003.db2.gz WCNJNXOWAAYETP-UHFFFAOYSA-N -1 0 311.317 -0.270 20 0 DBADRM CO[N-]C(=O)CNC(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 ZINC000927217042 807787023 /nfs/dbraw/zinc/78/70/23/807787023.db2.gz IYSQQHGZLIWBFM-GFCCVEGCSA-N -1 0 314.386 -0.584 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(F)F)C1)C(=O)[O-] ZINC000927961554 807800631 /nfs/dbraw/zinc/80/06/31/807800631.db2.gz YRZGLEDWXSDAKP-YUMQZZPRSA-N -1 0 308.281 -0.294 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N(CCOC)CC(F)F)C(=O)[O-] ZINC000927958890 807801013 /nfs/dbraw/zinc/80/10/13/807801013.db2.gz FOSWPGCFECVVDZ-QMMMGPOBSA-N -1 0 310.297 -0.047 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCO[C@H](CCF)C1)C(=O)[O-] ZINC000927956345 807801144 /nfs/dbraw/zinc/80/11/44/807801144.db2.gz ALZPMWKSPXULLL-VHSXEESVSA-N -1 0 304.318 -0.200 20 0 DBADRM O=C(CC1=CCCCC1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001331685483 807815352 /nfs/dbraw/zinc/81/53/52/807815352.db2.gz SETBYGFUGUDMTO-LLVKDONJSA-N -1 0 309.370 -0.033 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)NCCO[C@H]1CCOC1 ZINC000929016706 807822794 /nfs/dbraw/zinc/82/27/94/807822794.db2.gz GYVATKFDVRXYLZ-WDEREUQCSA-N -1 0 304.343 -0.077 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@](F)(CO)C2)CC[C@@H]1C(=O)[O-] ZINC001331762087 807827757 /nfs/dbraw/zinc/82/77/57/807827757.db2.gz JJGYDLTWTBXBQR-ISTVAULSSA-N -1 0 316.329 -0.512 20 0 DBADRM CCOC(=O)c1nnc([N-]S(=O)(=O)c2cnnn2C)s1 ZINC001331833026 807840181 /nfs/dbraw/zinc/84/01/81/807840181.db2.gz GNPSDHPBMNEBSG-UHFFFAOYSA-N -1 0 318.340 -0.356 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CCOCCO)CC[C@H]1C(=O)[O-] ZINC001331845966 807842398 /nfs/dbraw/zinc/84/23/98/807842398.db2.gz AVDHHJOFDBBMGU-WDEREUQCSA-N -1 0 316.354 -0.977 20 0 DBADRM C/C(=C/C(=O)N1CCO[C@@H](CC(=O)[O-])C1)CN1CCOCC1 ZINC001332164702 807879606 /nfs/dbraw/zinc/87/96/06/807879606.db2.gz PHINUDDFPXYRHN-FSBNRTBOSA-N -1 0 312.366 -0.033 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001332167166 807879989 /nfs/dbraw/zinc/87/99/89/807879989.db2.gz PHTWLXRSOGIECD-JNIYBQFBSA-N -1 0 310.350 -0.149 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001332167167 807880532 /nfs/dbraw/zinc/88/05/32/807880532.db2.gz PHTWLXRSOGIECD-SQYUCLKFSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])C1(C(=O)N(CCO)CCN2CCOCC2)CCC1 ZINC001332181056 807881667 /nfs/dbraw/zinc/88/16/67/807881667.db2.gz ZJOFIWVCZYVDKI-UHFFFAOYSA-N -1 0 300.355 -0.606 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)C1(C(=O)[O-])CCCC1 ZINC001332206722 807884052 /nfs/dbraw/zinc/88/40/52/807884052.db2.gz DPXKSXHFHSRNOW-GFCCVEGCSA-N -1 0 314.382 -0.217 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cccc(=O)[nH]1 ZINC001038133837 815157730 /nfs/dbraw/zinc/15/77/30/815157730.db2.gz OQZFCPKZVOCZDS-QMMMGPOBSA-N -1 0 304.310 -0.385 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2CCN2CCCC2=O)c1[O-] ZINC001038161315 815159914 /nfs/dbraw/zinc/15/99/14/815159914.db2.gz MTBUFPVKXIDQJR-LLVKDONJSA-N -1 0 321.381 -0.150 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2[C@@H](C)C(=O)NC2CC2)c1[O-] ZINC001038162897 815160522 /nfs/dbraw/zinc/16/05/22/815160522.db2.gz ZYRQFWBRAQITKE-ONGXEEELSA-N -1 0 321.381 -0.105 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[NH+](C[C@H](O)C3(O)CCC3)CC2)n1 ZINC000931748815 807935370 /nfs/dbraw/zinc/93/53/70/807935370.db2.gz NUKAYZYBDDWYDG-LBPRGKRZSA-N -1 0 308.382 -0.111 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@]1(OC(C)C)CCOC1 ZINC000931990777 807951148 /nfs/dbraw/zinc/95/11/48/807951148.db2.gz SMXUKSXDEKWQOF-ZDUSSCGKSA-N -1 0 304.343 -0.619 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CC[C@@H](SC)C1 ZINC001332789865 807978802 /nfs/dbraw/zinc/97/88/02/807978802.db2.gz NJMLCPDUIRRQNV-DTWKUNHWSA-N -1 0 303.384 -0.429 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001332814715 807982769 /nfs/dbraw/zinc/98/27/69/807982769.db2.gz CXXQSBWBHQVDQM-SECBINFHSA-N -1 0 300.359 -0.390 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)cnn1 ZINC001038202566 815164318 /nfs/dbraw/zinc/16/43/18/815164318.db2.gz YUWPNJJBOXSKDA-JTQLQIEISA-N -1 0 303.326 -0.387 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCSC[C@H](C)C1 ZINC001332840388 807986883 /nfs/dbraw/zinc/98/68/83/807986883.db2.gz AJVAZEJPFFMHRO-SECBINFHSA-N -1 0 303.384 -0.618 20 0 DBADRM CCn1ccnc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038202835 815164438 /nfs/dbraw/zinc/16/44/38/815164438.db2.gz YOGLMMAJOSGAKL-SECBINFHSA-N -1 0 305.342 -0.269 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1cc(C(F)(F)F)n(C)n1 ZINC000933811298 808010364 /nfs/dbraw/zinc/01/03/64/808010364.db2.gz QSKNORDCAIUDSD-UHFFFAOYSA-N -1 0 324.259 -0.251 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@H](C)c1ccc(F)cc1 ZINC001333108954 808016018 /nfs/dbraw/zinc/01/60/18/808016018.db2.gz ZNHBCAXYQKUSSQ-VIFPVBQESA-N -1 0 311.313 -0.161 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)C1CCC(F)CC1 ZINC001333130104 808018172 /nfs/dbraw/zinc/01/81/72/808018172.db2.gz LTCCRUSQWCRAJE-XNWIYYODSA-N -1 0 303.334 -0.187 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC(C)(C)c1cccs1 ZINC001333175840 808024680 /nfs/dbraw/zinc/02/46/80/808024680.db2.gz SGJCRTLWIRINDZ-UHFFFAOYSA-N -1 0 313.379 -0.064 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001333238147 808033214 /nfs/dbraw/zinc/03/32/14/808033214.db2.gz OLLOPFBVFXODGD-UHFFFAOYSA-N -1 0 301.343 -0.802 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC001333275173 808037677 /nfs/dbraw/zinc/03/76/77/808037677.db2.gz HWKJDULUHWNXLP-GFCCVEGCSA-N -1 0 305.334 -0.108 20 0 DBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)[N-]OCC(C)C ZINC001333277938 808038444 /nfs/dbraw/zinc/03/84/44/808038444.db2.gz NTITWEUXLQVKKV-GFCCVEGCSA-N -1 0 301.387 -0.083 20 0 DBADRM CCS[C@@H]1CCCCN(C(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001333299708 808041406 /nfs/dbraw/zinc/04/14/06/808041406.db2.gz ZWXQUNYMRCIYHB-SNVBAGLBSA-N -1 0 317.411 -0.086 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1cc(C(F)(F)F)nn1C ZINC001333314889 808042939 /nfs/dbraw/zinc/04/29/39/808042939.db2.gz WUWJFYUNCXRTKT-UHFFFAOYSA-N -1 0 324.259 -0.251 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC2CC(F)(F)C2)C1 ZINC001333316998 808043458 /nfs/dbraw/zinc/04/34/58/808043458.db2.gz QVGYHGQYQLEFNC-GFCCVEGCSA-N -1 0 320.292 -0.150 20 0 DBADRM COCCOCCC(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001333335271 808046436 /nfs/dbraw/zinc/04/64/36/808046436.db2.gz PREVZSIDMYJKAE-OAQYLSRUSA-N -1 0 321.395 -0.136 20 0 DBADRM COC(=O)c1cccn(CC(=O)[N-]OC[C@@H]2CCOC2)c1=O ZINC000935594437 808050826 /nfs/dbraw/zinc/05/08/26/808050826.db2.gz QSLMHELVCIFMCM-SNVBAGLBSA-N -1 0 310.306 -0.281 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@H](C)O[C@H](CO)C2)cc1=O ZINC000935583519 808051175 /nfs/dbraw/zinc/05/11/75/808051175.db2.gz ZTXPSFFVWQUPER-AAEUAGOBSA-N -1 0 311.382 -0.017 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC(n2ccnn2)C1 ZINC001333432042 808060727 /nfs/dbraw/zinc/06/07/27/808060727.db2.gz YEENDEHBDDYSTK-UHFFFAOYSA-N -1 0 313.277 -0.275 20 0 DBADRM C[C@]1(CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])CCC(=O)N1 ZINC001333516628 808070726 /nfs/dbraw/zinc/07/07/26/808070726.db2.gz OKDFDGBANYLJCY-CQSZACIVSA-N -1 0 320.305 -0.497 20 0 DBADRM COc1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)sn1 ZINC001038267333 815171835 /nfs/dbraw/zinc/17/18/35/815171835.db2.gz SHGOEBQDQLEOCT-SSDOTTSWSA-N -1 0 324.366 -0.020 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)Cn3ccnc3)C2)c1[O-] ZINC000938196055 808076935 /nfs/dbraw/zinc/07/69/35/808076935.db2.gz UMXUCQOMKQVEIB-JTQLQIEISA-N -1 0 318.337 -0.349 20 0 DBADRM CON(C)C(=O)[C@H](CCSC)NC(=O)c1n[nH]c(=O)[n-]1 ZINC001333588947 808078416 /nfs/dbraw/zinc/07/84/16/808078416.db2.gz XCRHAXPGAMRVBY-LURJTMIESA-N -1 0 303.344 -0.618 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC001333629756 808083131 /nfs/dbraw/zinc/08/31/31/808083131.db2.gz HJJTXEGFKOOISY-UHFFFAOYSA-N -1 0 312.370 -0.292 20 0 DBADRM CN(Cc1nc[nH]n1)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001333641428 808084614 /nfs/dbraw/zinc/08/46/14/808084614.db2.gz VQQPTGXKNWPHMY-UHFFFAOYSA-N -1 0 323.353 -0.134 20 0 DBADRM COc1cccnc1C(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000938238240 808086303 /nfs/dbraw/zinc/08/63/03/808086303.db2.gz JCWMEOAWJSDNPS-VIFPVBQESA-N -1 0 316.321 -0.147 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000938237963 808086357 /nfs/dbraw/zinc/08/63/57/808086357.db2.gz AXIJPWSCNLDDRE-CMPLNLGQSA-N -1 0 320.353 -0.854 20 0 DBADRM Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)C2)nn1 ZINC000938238210 808087616 /nfs/dbraw/zinc/08/76/16/808087616.db2.gz IDAQUNILCZJCHE-VIFPVBQESA-N -1 0 301.310 -0.452 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cn2c(n1)CCC2 ZINC001038271313 815173226 /nfs/dbraw/zinc/17/32/26/815173226.db2.gz BIIFATUKYBRPNA-SECBINFHSA-N -1 0 317.353 -0.343 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)CCOc1ccccc1C ZINC001333774570 808096187 /nfs/dbraw/zinc/09/61/87/808096187.db2.gz KEBFAEXMDBZQLY-UHFFFAOYSA-N -1 0 323.349 -0.374 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2c(C)cccc2C1 ZINC001333774514 808096205 /nfs/dbraw/zinc/09/62/05/808096205.db2.gz IUOHDMPBWGALIT-UHFFFAOYSA-N -1 0 305.334 -0.326 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)c1ccc(F)cc1F ZINC001333833714 808102467 /nfs/dbraw/zinc/10/24/67/808102467.db2.gz GCAHRNCITDSDEE-SSDOTTSWSA-N -1 0 315.276 -0.064 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001333844860 808103777 /nfs/dbraw/zinc/10/37/77/808103777.db2.gz PISBOGXNIWBXSU-WSVSKBAQSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H](C)NC(=O)C1CC=CC1 ZINC001333870011 808106687 /nfs/dbraw/zinc/10/66/87/808106687.db2.gz NTZVTXJJWSBCSX-RKDXNWHRSA-N -1 0 323.353 -0.335 20 0 DBADRM CC(=O)N[C@H]1CCCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000943016775 808107936 /nfs/dbraw/zinc/10/79/36/808107936.db2.gz UJHKCTBLUAHBTM-JTQLQIEISA-N -1 0 308.338 -0.383 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCCSCC(C)C ZINC001334241687 808145051 /nfs/dbraw/zinc/14/50/51/808145051.db2.gz TYRHGKGMHALOPG-UHFFFAOYSA-N -1 0 305.400 -0.324 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC001334243662 808146018 /nfs/dbraw/zinc/14/60/18/808146018.db2.gz JPNPXVGXQKETQK-UWVGGRQHSA-N -1 0 301.343 -0.756 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H](CC(F)(F)F)C(C)C ZINC001334272977 808147999 /nfs/dbraw/zinc/14/79/99/808147999.db2.gz DLDDXDRXQKYSQZ-ZETCQYMHSA-N -1 0 313.276 -0.127 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H](CC(F)(F)F)C(C)C ZINC001334272976 808148419 /nfs/dbraw/zinc/14/84/19/808148419.db2.gz DLDDXDRXQKYSQZ-SSDOTTSWSA-N -1 0 313.276 -0.127 20 0 DBADRM O=C([N-]OCc1cccnc1)C1(n2cnnn2)CCOCC1 ZINC001334349467 808154962 /nfs/dbraw/zinc/15/49/62/808154962.db2.gz QMSDEUVECMLSEV-UHFFFAOYSA-N -1 0 304.310 -0.178 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC001334489576 808170601 /nfs/dbraw/zinc/17/06/01/808170601.db2.gz YLXFJDZYBHUUKU-MWLCHTKSSA-N -1 0 310.358 -0.256 20 0 DBADRM COCCN(C(=O)C(=O)NCC(=O)[N-]OC)[C@@H]1CC[C@@H](C)C1 ZINC001334510211 808173854 /nfs/dbraw/zinc/17/38/54/808173854.db2.gz KUSGIGKSAGHATE-GHMZBOCLSA-N -1 0 315.370 -0.556 20 0 DBADRM COCCN(C(=O)C(=O)NCC(=O)[N-]OC)[C@H]1CC[C@@H](C)C1 ZINC001334510215 808173983 /nfs/dbraw/zinc/17/39/83/808173983.db2.gz KUSGIGKSAGHATE-MNOVXSKESA-N -1 0 315.370 -0.556 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCC(CCOC)CC1 ZINC001334530585 808175467 /nfs/dbraw/zinc/17/54/67/808175467.db2.gz JRSKDXOCTWAGCB-UHFFFAOYSA-N -1 0 312.374 -0.006 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCCC[C@@H](COC)C1 ZINC001334598476 808182219 /nfs/dbraw/zinc/18/22/19/808182219.db2.gz YRQSFKMGRLFQTR-LLVKDONJSA-N -1 0 312.374 -0.006 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001334606920 808183054 /nfs/dbraw/zinc/18/30/54/808183054.db2.gz WGXKLHQWGGSEQY-GHMZBOCLSA-N -1 0 313.354 -0.802 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001038368590 815182672 /nfs/dbraw/zinc/18/26/72/815182672.db2.gz SFMCMYXUKHXVSU-IVZWLZJFSA-N -1 0 317.353 -0.272 20 0 DBADRM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038367633 815183008 /nfs/dbraw/zinc/18/30/08/815183008.db2.gz MAUHEDCHJYPWOQ-NGZCFLSTSA-N -1 0 311.342 -0.995 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038374342 815183666 /nfs/dbraw/zinc/18/36/66/815183666.db2.gz PSVWKSMKBICVMS-SSDOTTSWSA-N -1 0 307.314 -0.748 20 0 DBADRM CC(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000947578621 808205265 /nfs/dbraw/zinc/20/52/65/808205265.db2.gz HFLBCFODDNGFNH-HTQZYQBOSA-N -1 0 309.326 -0.485 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cn[nH]c(=O)c1 ZINC001038376813 815184119 /nfs/dbraw/zinc/18/41/19/815184119.db2.gz FYNCEUFGBMIZSV-MRVPVSSYSA-N -1 0 305.298 -0.990 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000947659006 808212310 /nfs/dbraw/zinc/21/23/10/808212310.db2.gz DNMCVLMMCJHKQO-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)NC1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000947803914 808225072 /nfs/dbraw/zinc/22/50/72/808225072.db2.gz UKXQJSFOXPIZKQ-UHFFFAOYSA-N -1 0 318.337 -0.802 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2nnc[nH]2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947827956 808229901 /nfs/dbraw/zinc/22/99/01/808229901.db2.gz BUIHMGLSJLXWHU-SFYZADRCSA-N -1 0 306.330 -0.589 20 0 DBADRM Cn1ccc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)cc1=O ZINC001038415085 815189914 /nfs/dbraw/zinc/18/99/14/815189914.db2.gz CTUBBEVCLKFGTL-SNVBAGLBSA-N -1 0 318.337 -0.787 20 0 DBADRM CC[C@@H]1CN(C(C)=O)CC[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000948175024 808269918 /nfs/dbraw/zinc/26/99/18/808269918.db2.gz BYWDEUZNXJPHHB-RKDXNWHRSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001335380947 808283138 /nfs/dbraw/zinc/28/31/38/808283138.db2.gz VIEMBMROAHJEIX-GXSJLCMTSA-N -1 0 313.354 -0.850 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@H]1NC(C)=O ZINC000948495632 808291858 /nfs/dbraw/zinc/29/18/58/808291858.db2.gz RRUOQRBLZCMOAQ-NXEZZACHSA-N -1 0 311.342 -0.548 20 0 DBADRM CC[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC[C@@H]1NC(C)=O ZINC000948498391 808292796 /nfs/dbraw/zinc/29/27/96/808292796.db2.gz LHOPWPLIECLYBK-PWSUYJOCSA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CCC2)C1 ZINC001335543084 808296168 /nfs/dbraw/zinc/29/61/68/808296168.db2.gz QQRDLKJWWKRVEP-NSHDSACASA-N -1 0 307.272 -0.112 20 0 DBADRM COc1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)ccn1 ZINC001038440544 815193177 /nfs/dbraw/zinc/19/31/77/815193177.db2.gz DNIVNCREWGZIDW-JTQLQIEISA-N -1 0 318.337 -0.082 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC001335691190 808311714 /nfs/dbraw/zinc/31/17/14/808311714.db2.gz KEOSBRMKRBKPTQ-FXJUQPSGSA-N -1 0 324.377 -0.071 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCC[C@@H](SC)C1 ZINC001335781849 808319890 /nfs/dbraw/zinc/31/98/90/808319890.db2.gz VFMZWXDEGNSBAY-DTWKUNHWSA-N -1 0 303.384 -0.429 20 0 DBADRM CCn1nnc(C)c1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948727043 808321687 /nfs/dbraw/zinc/32/16/87/808321687.db2.gz NXLNURYNBZVQAR-UHFFFAOYSA-N -1 0 320.357 -0.612 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCOC[C@H](C2CCC2)C1 ZINC001336094109 808341011 /nfs/dbraw/zinc/34/10/11/808341011.db2.gz DXXOVDLVOYZSBB-LLVKDONJSA-N -1 0 310.358 -0.396 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CCCO2)c1[O-] ZINC000948855031 808346000 /nfs/dbraw/zinc/34/60/00/808346000.db2.gz ONWBFQFZMYOTRP-UWVGGRQHSA-N -1 0 308.338 -0.067 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@H]([C@H]2CCCO2)C1 ZINC001336136518 808346232 /nfs/dbraw/zinc/34/62/32/808346232.db2.gz HKJCAOVSIIXJOC-WDEREUQCSA-N -1 0 310.358 -0.254 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@H]([C@@H]2CCCO2)C1 ZINC001336136517 808346964 /nfs/dbraw/zinc/34/69/64/808346964.db2.gz HKJCAOVSIIXJOC-QWRGUYRKSA-N -1 0 310.358 -0.254 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1nccs1)c1n[nH]c(=O)[n-]c1=O ZINC001038464544 815197528 /nfs/dbraw/zinc/19/75/28/815197528.db2.gz FLWIFWVAHCRSTP-ZETCQYMHSA-N -1 0 322.350 -0.256 20 0 DBADRM O=C(Cc1cccnc1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948902372 808355450 /nfs/dbraw/zinc/35/54/50/808355450.db2.gz ANCIATGYLHUYOJ-UHFFFAOYSA-N -1 0 302.338 -0.208 20 0 DBADRM O=C(Cc1ccc(F)cn1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948921309 808358668 /nfs/dbraw/zinc/35/86/68/808358668.db2.gz KKFZAHHGZDCZMI-UHFFFAOYSA-N -1 0 320.328 -0.069 20 0 DBADRM Cn1ccc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cc1=O ZINC000948921285 808359059 /nfs/dbraw/zinc/35/90/59/808359059.db2.gz ITVOPRIDMCCBGD-UHFFFAOYSA-N -1 0 318.337 -0.833 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)C1CCC(OC)CC1 ZINC001336299705 808360192 /nfs/dbraw/zinc/36/01/92/808360192.db2.gz FIUFTPCVXKLFAC-UHFFFAOYSA-N -1 0 301.343 -0.804 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC001336303062 808361426 /nfs/dbraw/zinc/36/14/26/808361426.db2.gz YORPHLQZEIKFJP-GWCFXTLKSA-N -1 0 305.334 0.000 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC001336303064 808361492 /nfs/dbraw/zinc/36/14/92/808361492.db2.gz YORPHLQZEIKFJP-MFKMUULPSA-N -1 0 305.334 0.000 20 0 DBADRM CCc1nnsc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038492973 815200079 /nfs/dbraw/zinc/20/00/79/815200079.db2.gz UHUMQFOVBINGEY-SSDOTTSWSA-N -1 0 323.382 -0.072 20 0 DBADRM O=C(CN1CCCCC1=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949070015 808388427 /nfs/dbraw/zinc/38/84/27/808388427.db2.gz YQVBDBHYLKRKNP-UHFFFAOYSA-N -1 0 322.369 -0.833 20 0 DBADRM CC[C@H](CN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1)OC ZINC000949111313 808395718 /nfs/dbraw/zinc/39/57/18/808395718.db2.gz NSOSTWHYBYTUMB-SECBINFHSA-N -1 0 311.342 -0.534 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001336619584 808401001 /nfs/dbraw/zinc/40/10/01/808401001.db2.gz CDAZBNIWJPJPTE-LADJIXMOSA-N -1 0 300.380 -0.063 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC=CC1 ZINC000949188169 808417532 /nfs/dbraw/zinc/41/75/32/808417532.db2.gz PCPFCLKKLVCBAP-SECBINFHSA-N -1 0 319.321 -0.420 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949201852 808419420 /nfs/dbraw/zinc/41/94/20/808419420.db2.gz ZMFWJZUYUITUKW-JTQLQIEISA-N -1 0 322.369 -0.787 20 0 DBADRM CC(=O)NCC1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000949228024 808424058 /nfs/dbraw/zinc/42/40/58/808424058.db2.gz BCVBDNDVRBVBRD-UHFFFAOYSA-N -1 0 308.338 -0.526 20 0 DBADRM O=C(CCc1cncnc1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949291889 808434724 /nfs/dbraw/zinc/43/47/24/808434724.db2.gz AUEIDVUWRVTNHQ-UHFFFAOYSA-N -1 0 317.353 -0.423 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCO[C@H](C(F)(F)F)CC1 ZINC001337219587 808442009 /nfs/dbraw/zinc/44/20/09/808442009.db2.gz VSBPVWFRAUAJNQ-ZETCQYMHSA-N -1 0 312.244 -0.243 20 0 DBADRM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949367845 808446370 /nfs/dbraw/zinc/44/63/70/808446370.db2.gz QEBOTGTXMOQHEE-OQEOFVATSA-N -1 0 319.365 -0.422 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2cn(C)cn2)c1[O-] ZINC000949404832 808455718 /nfs/dbraw/zinc/45/57/18/808455718.db2.gz JRWWVJXXGFYOLY-SECBINFHSA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)Cc2ccon2)c1[O-] ZINC000949426488 808458615 /nfs/dbraw/zinc/45/86/15/808458615.db2.gz OXFLLWFRMSQMKV-SNVBAGLBSA-N -1 0 319.321 -0.015 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCOC2)c1[O-] ZINC000949426854 808458859 /nfs/dbraw/zinc/45/88/59/808458859.db2.gz SEOOYMNSXIQLCT-VHSXEESVSA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2cnsn2)c1[O-] ZINC000949424981 808458896 /nfs/dbraw/zinc/45/88/96/808458896.db2.gz GJWXKOUNDYLMDB-ZETCQYMHSA-N -1 0 322.350 -0.080 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC000949433857 808461152 /nfs/dbraw/zinc/46/11/52/808461152.db2.gz CRDYQRYCIOYOGG-IUCAKERBSA-N -1 0 321.337 -0.967 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2ncccn2)c1[O-] ZINC000949435328 808461235 /nfs/dbraw/zinc/46/12/35/808461235.db2.gz PLLMFSKSTCBPDR-VIFPVBQESA-N -1 0 316.321 -0.142 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000949456523 808465121 /nfs/dbraw/zinc/46/51/21/808465121.db2.gz MFNCZCZOSYQGLQ-BDAKNGLRSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC=CCC2)c1[O-] ZINC001337611615 808474492 /nfs/dbraw/zinc/47/44/92/808474492.db2.gz SUTXRQVHPGGJNJ-WDEREUQCSA-N -1 0 322.365 -0.013 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC=CCC2)c1[O-] ZINC001337611612 808474773 /nfs/dbraw/zinc/47/47/73/808474773.db2.gz SUTXRQVHPGGJNJ-GHMZBOCLSA-N -1 0 322.365 -0.013 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2cncnc2)c1[O-] ZINC000949521146 808476460 /nfs/dbraw/zinc/47/64/60/808476460.db2.gz GHJMFAZKYGECBP-JTQLQIEISA-N -1 0 316.321 -0.142 20 0 DBADRM O=C(CCn1ccnc1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949554279 808485450 /nfs/dbraw/zinc/48/54/50/808485450.db2.gz DFMJVIUFZFRNQE-UHFFFAOYSA-N -1 0 305.342 -0.559 20 0 DBADRM CCN(C(=O)C1=COCCO1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949608853 808495053 /nfs/dbraw/zinc/49/50/53/808495053.db2.gz STJWNPOQVLIPOV-UHFFFAOYSA-N -1 0 309.326 -0.569 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2cnnn2C)c1[O-] ZINC000949671564 808509514 /nfs/dbraw/zinc/50/95/14/808509514.db2.gz BMECBYHRHUHUHC-QMMMGPOBSA-N -1 0 319.325 -0.803 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001338127085 808519380 /nfs/dbraw/zinc/51/93/80/808519380.db2.gz BONLQOJYZZBUEI-AOZRHXBJSA-N -1 0 321.337 -0.032 20 0 DBADRM COc1ccnc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)c1 ZINC001038593733 815213243 /nfs/dbraw/zinc/21/32/43/815213243.db2.gz PZOHUHLHILBQJX-VIFPVBQESA-N -1 0 318.337 -0.082 20 0 DBADRM CCCC(=O)N1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000949743285 808529541 /nfs/dbraw/zinc/52/95/41/808529541.db2.gz RFEPFTGHZJQKCO-QMMMGPOBSA-N -1 0 309.326 -0.196 20 0 DBADRM O=C(COCC(=O)NCc1cccnc1)[N-]OC1CCOCC1 ZINC001338294360 808531185 /nfs/dbraw/zinc/53/11/85/808531185.db2.gz XHLZLGYKGALPNW-UHFFFAOYSA-N -1 0 323.349 -0.059 20 0 DBADRM CCN(C(=O)[C@H]1C[C@H]1C(=O)OC)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949776643 808539460 /nfs/dbraw/zinc/53/94/60/808539460.db2.gz SNGVXZPTACYXEA-VHSXEESVSA-N -1 0 323.353 -0.648 20 0 DBADRM C/C=C(/C)C(=O)NC[C@@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001338471104 808546424 /nfs/dbraw/zinc/54/64/24/808546424.db2.gz OANXEPGXZRIBNT-DAGBOUIGSA-N -1 0 310.354 -0.061 20 0 DBADRM C/C=C(/C)C(=O)NC[C@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001338471105 808546684 /nfs/dbraw/zinc/54/66/84/808546684.db2.gz OANXEPGXZRIBNT-NVDWLVSRSA-N -1 0 310.354 -0.061 20 0 DBADRM Cn1cc(C(=O)C(=O)N2CCSC[C@H]2c2nnn[n-]2)cn1 ZINC001338484039 808547889 /nfs/dbraw/zinc/54/78/89/808547889.db2.gz NVUSFCLBLBHCIW-QMMMGPOBSA-N -1 0 307.339 -0.567 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC001338724127 808565240 /nfs/dbraw/zinc/56/52/40/808565240.db2.gz MXELZHAXURPLJO-UHFFFAOYSA-N -1 0 307.310 -0.976 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001339169039 808581894 /nfs/dbraw/zinc/58/18/94/808581894.db2.gz NOYNHWRWWPQOGN-XHDPSFHLSA-N -1 0 314.382 -0.361 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCCCNC(N)=O)cn1 ZINC001339946758 808610972 /nfs/dbraw/zinc/61/09/72/808610972.db2.gz LZIVPUUXLHMCIH-UHFFFAOYSA-N -1 0 317.371 -0.454 20 0 DBADRM C[C@H]1COCC[C@@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000950346977 808634417 /nfs/dbraw/zinc/63/44/17/808634417.db2.gz LAAYRGRPICGCFI-QWRGUYRKSA-N -1 0 309.370 -0.173 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]1CNC(=O)c1cc[nH]c1 ZINC000950387085 808638013 /nfs/dbraw/zinc/63/80/13/808638013.db2.gz LYZUCTNNWFNJSP-VIFPVBQESA-N -1 0 320.309 -0.952 20 0 DBADRM C[C@H]1OCCN(C(=O)NCCOCCOCC(=O)[O-])[C@H]1C ZINC001340569346 808644135 /nfs/dbraw/zinc/64/41/35/808644135.db2.gz KCFUJJRRHZAWKW-WDEREUQCSA-N -1 0 304.343 -0.077 20 0 DBADRM COc1ccccc1CO[N-]C(=O)C(=O)NC[C@@H]1COCCO1 ZINC001340779865 808656114 /nfs/dbraw/zinc/65/61/14/808656114.db2.gz VKOKDXGAUMHNQE-GFCCVEGCSA-N -1 0 324.333 -0.225 20 0 DBADRM Cc1cccc2c(=O)n(CC(=O)NCc3nc(=O)o[n-]3)cnc12 ZINC001341052205 808668332 /nfs/dbraw/zinc/66/83/32/808668332.db2.gz PHSNWKVEAQBLQR-UHFFFAOYSA-N -1 0 315.289 -0.302 20 0 DBADRM CCN(C(=O)[C@@H]1CCCNC1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950559851 808674480 /nfs/dbraw/zinc/67/44/80/808674480.db2.gz FQVKGQWMMLBMNS-SNVBAGLBSA-N -1 0 322.369 -0.931 20 0 DBADRM CCN(C(=O)c1cnc[nH]c1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950585636 808677789 /nfs/dbraw/zinc/67/77/89/808677789.db2.gz ICWVZVJUACOZEA-UHFFFAOYSA-N -1 0 319.325 -0.648 20 0 DBADRM C[C@H]1COCCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001341327726 808679589 /nfs/dbraw/zinc/67/95/89/808679589.db2.gz KADYBBMVJATTJT-LLVKDONJSA-N -1 0 304.343 -0.218 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1cn(Cc2ccccc2)nn1 ZINC001341390213 808682262 /nfs/dbraw/zinc/68/22/62/808682262.db2.gz GOGNQWSZFVDMHJ-UHFFFAOYSA-N -1 0 300.278 -0.067 20 0 DBADRM C[C@@H]1CCC[C@@H](CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)O1 ZINC001341435099 808685061 /nfs/dbraw/zinc/68/50/61/808685061.db2.gz ZCMNUEYEGZCABN-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM O=C(Cn1cnc2sccc2c1=O)NCc1nc(=O)o[n-]1 ZINC001341587891 808691153 /nfs/dbraw/zinc/69/11/53/808691153.db2.gz QWTDCIJYNFFURO-UHFFFAOYSA-N -1 0 307.291 -0.549 20 0 DBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)c1C ZINC001341985906 808709869 /nfs/dbraw/zinc/70/98/69/808709869.db2.gz QBLLGYJAICYGLC-SNVBAGLBSA-N -1 0 324.337 -0.500 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC001342029370 808712704 /nfs/dbraw/zinc/71/27/04/808712704.db2.gz GZKCHQOSSLBMCE-YMTOWFKASA-N -1 0 315.370 -0.558 20 0 DBADRM COCCN(Cc1ccccc1)C(=O)C(=O)NCC(=O)[N-]OC ZINC001342029186 808712755 /nfs/dbraw/zinc/71/27/55/808712755.db2.gz DMINOWVDNUTORT-UHFFFAOYSA-N -1 0 323.349 -0.545 20 0 DBADRM COc1ncccc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038669502 815231438 /nfs/dbraw/zinc/23/14/38/815231438.db2.gz OYSBEJQKKJUFMX-SECBINFHSA-N -1 0 318.337 -0.082 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCOC1CCSCC1 ZINC001342369446 808727635 /nfs/dbraw/zinc/72/76/35/808727635.db2.gz QMFPYRXLIMYBFB-UHFFFAOYSA-N -1 0 306.384 -0.291 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)Nc1cccc2c1CNC2=O ZINC001342428971 808730054 /nfs/dbraw/zinc/73/00/54/808730054.db2.gz CYEUITSAQXKCDR-VIFPVBQESA-N -1 0 319.317 -0.047 20 0 DBADRM CCN(C(=O)c1cnc([O-])n(C)c1=O)C1CN([C@@H](C)COC)C1 ZINC000951122286 808769451 /nfs/dbraw/zinc/76/94/51/808769451.db2.gz WHKXCYPUPOXNEL-JTQLQIEISA-N -1 0 324.381 -0.333 20 0 DBADRM CCN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(C[C@@H](C)OC)C1 ZINC000951119885 808769581 /nfs/dbraw/zinc/76/95/81/808769581.db2.gz HOGUWJGUIVSZKV-SNVBAGLBSA-N -1 0 324.381 -0.333 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)c1ccco1)c1n[nH]c(=O)[n-]c1=O ZINC000951295569 808794496 /nfs/dbraw/zinc/79/44/96/808794496.db2.gz CAAFHMVECIQJDB-ZETCQYMHSA-N -1 0 319.277 -0.480 20 0 DBADRM CC1CC(C(=O)N2CC[C@@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000951297595 808794574 /nfs/dbraw/zinc/79/45/74/808794574.db2.gz FHQDIMFOTXDSGF-AMDVSUOASA-N -1 0 321.337 -0.340 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297740 808794621 /nfs/dbraw/zinc/79/46/21/808794621.db2.gz JBUSCENXJSZIFT-HOOMWESVSA-N -1 0 307.310 -0.420 20 0 DBADRM CC(C)=CC(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951296066 808794633 /nfs/dbraw/zinc/79/46/33/808794633.db2.gz OHJJPHHMMCMSTG-MRVPVSSYSA-N -1 0 307.310 -0.420 20 0 DBADRM O=C(CCC1CC1)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951298137 808794693 /nfs/dbraw/zinc/79/46/93/808794693.db2.gz RKJRVKKSYOMLSS-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(CCC1CC1)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951298138 808794699 /nfs/dbraw/zinc/79/46/99/808794699.db2.gz RKJRVKKSYOMLSS-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM CC(C)[C@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297816 808794757 /nfs/dbraw/zinc/79/47/57/808794757.db2.gz KLRVEXAMIAGBIZ-DTWKUNHWSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(C)[C@@H](C)C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297815 808794794 /nfs/dbraw/zinc/79/47/94/808794794.db2.gz KLRVEXAMIAGBIZ-BDAKNGLRSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)C1CC=CC1)c1n[nH]c(=O)[n-]c1=O ZINC000951297411 808794799 /nfs/dbraw/zinc/79/47/99/808794799.db2.gz AGZKEUJGUKEALY-SECBINFHSA-N -1 0 319.321 -0.420 20 0 DBADRM CC(C)(F)C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951296263 808794894 /nfs/dbraw/zinc/79/48/94/808794894.db2.gz ROVZSIKJHABLGX-ZCFIWIBFSA-N -1 0 313.289 -0.638 20 0 DBADRM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC000951298396 808794970 /nfs/dbraw/zinc/79/49/70/808794970.db2.gz XSEICOUENOXMOR-CBAPKCEASA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951300617 808795524 /nfs/dbraw/zinc/79/55/24/808795524.db2.gz VEBKUQDMOKJFCB-BWZBUEFSSA-N -1 0 307.310 -0.731 20 0 DBADRM CC[C@H](F)C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951300510 808795646 /nfs/dbraw/zinc/79/56/46/808795646.db2.gz RZMHEVQKEBNYOM-RQJHMYQMSA-N -1 0 313.289 -0.638 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC000951382234 808809115 /nfs/dbraw/zinc/80/91/15/808809115.db2.gz WSORHUXQYINMIY-IUCAKERBSA-N -1 0 321.337 -0.967 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951450424 808819635 /nfs/dbraw/zinc/81/96/35/808819635.db2.gz AFLYRLAHGPLNSJ-AEJSXWLSSA-N -1 0 320.349 -0.527 20 0 DBADRM CCCC(=O)N1CC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951451200 808820339 /nfs/dbraw/zinc/82/03/39/808820339.db2.gz RZDYLYCUDARHGK-SECBINFHSA-N -1 0 308.338 -0.383 20 0 DBADRM CC[C@H](C)C(=O)N1CC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951450873 808820438 /nfs/dbraw/zinc/82/04/38/808820438.db2.gz KSOBBOVIUUPJCG-UWVGGRQHSA-N -1 0 322.365 -0.137 20 0 DBADRM O=C(CC1CC1)N[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000951461400 808824859 /nfs/dbraw/zinc/82/48/59/808824859.db2.gz OVDUGWMHPXHAOK-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM CC(C)C(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000951461147 808825108 /nfs/dbraw/zinc/82/51/08/808825108.db2.gz KLJNTIIGKHUTRC-QMMMGPOBSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000951558578 808843543 /nfs/dbraw/zinc/84/35/43/808843543.db2.gz PSDYVOIIKBUNEJ-IWSPIJDZSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000951557357 808843596 /nfs/dbraw/zinc/84/35/96/808843596.db2.gz GBHRKIMSAHKNGG-KXUCPTDWSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001038726590 815240841 /nfs/dbraw/zinc/24/08/41/815240841.db2.gz UTNSBTOQXRAWAW-ZDCRXTMVSA-N -1 0 307.354 -0.232 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000951661184 808876318 /nfs/dbraw/zinc/87/63/18/808876318.db2.gz GBHRKIMSAHKNGG-AEJSXWLSSA-N -1 0 323.353 -0.548 20 0 DBADRM CCN(C(=O)[C@H]1OCC[C@H]1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000951773669 808898592 /nfs/dbraw/zinc/89/85/92/808898592.db2.gz QGXSOBFCJVBEQK-SKDRFNHKSA-N -1 0 309.370 -0.032 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2n[nH]cc2F)c1[O-] ZINC000951976834 808944650 /nfs/dbraw/zinc/94/46/50/808944650.db2.gz VLHYWDHPXJOCAJ-ZETCQYMHSA-N -1 0 322.300 -0.070 20 0 DBADRM CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000952567926 808996037 /nfs/dbraw/zinc/99/60/37/808996037.db2.gz JTQSDFPLNZLSAD-BDAKNGLRSA-N -1 0 307.310 -0.492 20 0 DBADRM CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000952624559 808999573 /nfs/dbraw/zinc/99/95/73/808999573.db2.gz FEYRGKILUPOOBI-DTORHVGOSA-N -1 0 321.337 -0.102 20 0 DBADRM CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cnc([O-])n(C)c1=O ZINC000952630048 808999627 /nfs/dbraw/zinc/99/96/27/808999627.db2.gz UZJFOAQRBNCKKX-PHIMTYICSA-N -1 0 320.349 -0.289 20 0 DBADRM CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000952624308 808999809 /nfs/dbraw/zinc/99/98/09/808999809.db2.gz SWHQXWRDQBPYTL-DTORHVGOSA-N -1 0 307.310 -0.492 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)C(N)=O)c1[O-] ZINC000952698640 809002228 /nfs/dbraw/zinc/00/22/28/809002228.db2.gz AAVKXFJSPVVZSY-DTORHVGOSA-N -1 0 321.337 -0.885 20 0 DBADRM CN(C(=O)CC1CC1)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000953509393 809053017 /nfs/dbraw/zinc/05/30/17/809053017.db2.gz LHMNYLHBOGRTHF-UHFFFAOYSA-N -1 0 320.349 -0.431 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000953625374 809059653 /nfs/dbraw/zinc/05/96/53/809059653.db2.gz XKUREZZZBALTRE-POYBYMJQSA-N -1 0 307.310 -0.778 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N(C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000953635583 809059861 /nfs/dbraw/zinc/05/98/61/809059861.db2.gz KLNSTWRCDPVBPW-SCZZXKLOSA-N -1 0 320.349 -0.575 20 0 DBADRM CN(C(=O)c1ccoc1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000953726908 809077181 /nfs/dbraw/zinc/07/71/81/809077181.db2.gz IHIVCUKJOIRGGT-UHFFFAOYSA-N -1 0 321.293 -0.735 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3ccnn3C)C2)c1[O-] ZINC000953860802 809109055 /nfs/dbraw/zinc/10/90/55/809109055.db2.gz JHBHBGQSKHZREI-UHFFFAOYSA-N -1 0 318.337 -0.246 20 0 DBADRM COc1ccc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001038884702 815262938 /nfs/dbraw/zinc/26/29/38/815262938.db2.gz NQHZMBFBNZCNKV-QMMMGPOBSA-N -1 0 319.325 -0.687 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3n[nH]cc3F)C2)c1[O-] ZINC000954070545 809154299 /nfs/dbraw/zinc/15/42/99/809154299.db2.gz VSNKCHUTVDGCDL-UHFFFAOYSA-N -1 0 322.300 -0.117 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3cnnn3C)C2)c1[O-] ZINC000954070209 809154640 /nfs/dbraw/zinc/15/46/40/809154640.db2.gz ONPAXWMVSUJMPV-UHFFFAOYSA-N -1 0 319.325 -0.851 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3ncc[nH]3)C2)c1[O-] ZINC000954069819 809154854 /nfs/dbraw/zinc/15/48/54/809154854.db2.gz GGAAPPKWOWDHBD-UHFFFAOYSA-N -1 0 304.310 -0.257 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3cncnc3)C2)c1[O-] ZINC000954119484 809165721 /nfs/dbraw/zinc/16/57/21/809165721.db2.gz UDPIKSQEOIREFG-UHFFFAOYSA-N -1 0 316.321 -0.190 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038984639 815275974 /nfs/dbraw/zinc/27/59/74/815275974.db2.gz PSTIYGIUBCNFOX-ZJUUUORDSA-N -1 0 322.369 -0.788 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1ccc(=O)[nH]c1 ZINC001038986802 815276395 /nfs/dbraw/zinc/27/63/95/815276395.db2.gz PKAUOHHHATXZOI-VIFPVBQESA-N -1 0 304.310 -0.385 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)CCC2CC2)C1 ZINC000954933989 809311779 /nfs/dbraw/zinc/31/17/79/809311779.db2.gz PALWGJYAPJLLDS-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3ccnnc3)C2)c1[O-] ZINC000955425863 809413291 /nfs/dbraw/zinc/41/32/91/809413291.db2.gz QYJBDPUDGMTWQS-UHFFFAOYSA-N -1 0 316.321 -0.190 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC000955449926 809419042 /nfs/dbraw/zinc/41/90/42/809419042.db2.gz UMCQMUWOEXVCCR-YUMQZZPRSA-N -1 0 309.326 -0.198 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC000955446222 809419045 /nfs/dbraw/zinc/41/90/45/809419045.db2.gz BHPFCDXWODNWLC-IUCAKERBSA-N -1 0 311.342 -0.405 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)[C@@H](C)C2)c1[O-] ZINC000955592034 809426181 /nfs/dbraw/zinc/42/61/81/809426181.db2.gz HGVLSSZKVOZIGR-CBAPKCEASA-N -1 0 323.353 -0.592 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C2CC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000955752135 809440862 /nfs/dbraw/zinc/44/08/62/809440862.db2.gz AZANWNJEHHXIEY-IONNQARKSA-N -1 0 321.337 -0.198 20 0 DBADRM CCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC000955752200 809440914 /nfs/dbraw/zinc/44/09/14/809440914.db2.gz BGFQSAALZXRMLJ-HTQZYQBOSA-N -1 0 309.326 -0.198 20 0 DBADRM O=C(NC[C@@H]1CCCN1C(=O)C1CCC1)c1n[nH]c(=O)[n-]c1=O ZINC000955848422 809456680 /nfs/dbraw/zinc/45/66/80/809456680.db2.gz OCCWNJNVJOUTDU-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM C/C=C(\C)C(=O)N1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000955955310 809471752 /nfs/dbraw/zinc/47/17/52/809471752.db2.gz PDQIAIPLQJTACY-IPQKIJNHSA-N -1 0 321.337 -0.030 20 0 DBADRM CCc1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1C ZINC001039085774 815292401 /nfs/dbraw/zinc/29/24/01/815292401.db2.gz VYLHUJYMFCVBNO-SNVBAGLBSA-N -1 0 319.369 -0.190 20 0 DBADRM O=C(NC[C@@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC000956119746 809488226 /nfs/dbraw/zinc/48/82/26/809488226.db2.gz DZIHFORKVSAYHD-QMMMGPOBSA-N -1 0 307.310 -0.586 20 0 DBADRM O=C(NC[C@@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C1CCC1 ZINC000956120199 809488264 /nfs/dbraw/zinc/48/82/64/809488264.db2.gz OBTAIRGMCUCZOS-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM CCC(=O)N1CCC(C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000956431924 809513411 /nfs/dbraw/zinc/51/34/11/809513411.db2.gz AFCAXGWSPLMFHA-UHFFFAOYSA-N -1 0 309.326 -0.196 20 0 DBADRM CC(=O)N[C@@]1(C)CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000956609699 809530039 /nfs/dbraw/zinc/53/00/39/809530039.db2.gz LOPNITQDCAIWBR-ZDUSSCGKSA-N -1 0 309.326 -0.658 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN(C(=O)c3cn[nH]n3)C2)c1[O-] ZINC000956822680 809553956 /nfs/dbraw/zinc/55/39/56/809553956.db2.gz HWRRHDZKQULDGH-CYBMUJFWSA-N -1 0 319.325 -0.424 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C1(C)CC1 ZINC000957364284 809633573 /nfs/dbraw/zinc/63/35/73/809633573.db2.gz QMYSQRCHABFMOK-HTQZYQBOSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000957364394 809633648 /nfs/dbraw/zinc/63/36/48/809633648.db2.gz WQUQDYBJQMGVLE-HTQZYQBOSA-N -1 0 309.326 -0.485 20 0 DBADRM Cc1cnc(CN2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)o1 ZINC000957472595 809647468 /nfs/dbraw/zinc/64/74/68/809647468.db2.gz JOKJBIQEAHCSTB-UHFFFAOYSA-N -1 0 322.325 -0.670 20 0 DBADRM Cc1ncoc1CN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000957474167 809647599 /nfs/dbraw/zinc/64/75/99/809647599.db2.gz OIRGCAZCKQQZMP-UHFFFAOYSA-N -1 0 322.325 -0.670 20 0 DBADRM C[C@@H](F)CCN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000957473604 809647849 /nfs/dbraw/zinc/64/78/49/809647849.db2.gz AQSLUCJIYNVAEG-SECBINFHSA-N -1 0 301.322 -0.418 20 0 DBADRM CC[C@H](CN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1)OC ZINC000957473965 809647919 /nfs/dbraw/zinc/64/79/19/809647919.db2.gz JPRQXSHTLAHCPR-SNVBAGLBSA-N -1 0 313.358 -0.742 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccncc1 ZINC000957822633 809683784 /nfs/dbraw/zinc/68/37/84/809683784.db2.gz YUGIJQLFXJIGJM-MNOVXSKESA-N -1 0 318.337 -0.872 20 0 DBADRM CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC000957836331 809687841 /nfs/dbraw/zinc/68/78/41/809687841.db2.gz GFLROAMMYCJSRO-AEJSXWLSSA-N -1 0 309.326 -0.795 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccsc1 ZINC000957859652 809694709 /nfs/dbraw/zinc/69/47/09/809694709.db2.gz SJAOTSAGNKZJQB-ZJUUUORDSA-N -1 0 323.378 -0.206 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1=COCCC1 ZINC000957925780 809719472 /nfs/dbraw/zinc/71/94/72/809719472.db2.gz GKBNYHGXQSMVGQ-GHMZBOCLSA-N -1 0 323.353 -0.887 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)co1 ZINC000958015659 809742933 /nfs/dbraw/zinc/74/29/33/809742933.db2.gz NQYUUVHXXXCCLS-GHMZBOCLSA-N -1 0 321.337 -0.366 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@H]2C)c1[O-] ZINC000958069278 809758449 /nfs/dbraw/zinc/75/84/49/809758449.db2.gz KYXKVGHEUIPELM-HZGVNTEJSA-N -1 0 320.309 -0.303 20 0 DBADRM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ncc[nH]1)C2)c1cn[nH]n1 ZINC000958076147 809760398 /nfs/dbraw/zinc/76/03/98/809760398.db2.gz ZTRSSHOWCGYWMB-GUBZILKMSA-N -1 0 315.337 -0.049 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccns1 ZINC000958116502 809771857 /nfs/dbraw/zinc/77/18/57/809771857.db2.gz DVHZJPFNPPVNAO-JGVFFNPUSA-N -1 0 324.366 -0.811 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)n1cccn1 ZINC000958290218 809844341 /nfs/dbraw/zinc/84/43/41/809844341.db2.gz YRNMNRMTKUKMPU-UXCLJVHYSA-N -1 0 317.353 -0.486 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C2)c1[O-] ZINC000958374479 809884486 /nfs/dbraw/zinc/88/44/86/809884486.db2.gz ZZSWIHVNFLDVQF-BQBZGAKWSA-N -1 0 318.280 -0.667 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C3CC3)C2)c1[O-] ZINC000958391579 809891246 /nfs/dbraw/zinc/89/12/46/809891246.db2.gz RKIKVDZGQGMOIV-UWVGGRQHSA-N -1 0 308.338 -0.523 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cc[nH]c(=O)c1 ZINC000958519321 809948276 /nfs/dbraw/zinc/94/82/76/809948276.db2.gz XAJMIFLRDUITSM-GDGBQDQQSA-N -1 0 316.321 -0.529 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@@H]1CCCCO1 ZINC000958579946 809965397 /nfs/dbraw/zinc/96/53/97/809965397.db2.gz MEGBAZHQNYTLSG-MIZYBKAJSA-N -1 0 307.354 -0.374 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(Cc4ncnn4C)C[C@H]32)c1[O-] ZINC000958583568 809967294 /nfs/dbraw/zinc/96/72/94/809967294.db2.gz LTBCICSHQIJDRN-JZYVYDRUSA-N -1 0 317.353 -0.588 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3C[C@H]3C)C2)c1[O-] ZINC000958911106 810060911 /nfs/dbraw/zinc/06/09/11/810060911.db2.gz BEJSBXVRTNJARS-SNXWAXQRSA-N -1 0 322.365 -0.277 20 0 DBADRM C[C@H](NC(=O)C1CC1)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000959226408 810086344 /nfs/dbraw/zinc/08/63/44/810086344.db2.gz WFNCGQKSNCEFDZ-IONNQARKSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N1C[C@H](C)[C@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000959302153 810093584 /nfs/dbraw/zinc/09/35/84/810093584.db2.gz SWYATKQYLFJSAH-GXSJLCMTSA-N -1 0 317.349 -0.133 20 0 DBADRM CCC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000959292176 810093700 /nfs/dbraw/zinc/09/37/00/810093700.db2.gz FYYUEMDGFLBXBE-UWVGGRQHSA-N -1 0 322.365 -0.280 20 0 DBADRM CCC(=O)N1C[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)[C@H](C)C1 ZINC000959292175 810094033 /nfs/dbraw/zinc/09/40/33/810094033.db2.gz FYYUEMDGFLBXBE-NXEZZACHSA-N -1 0 322.365 -0.280 20 0 DBADRM CC(C)C(=O)N1C[C@H](C)[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000959373648 810097169 /nfs/dbraw/zinc/09/71/69/810097169.db2.gz HWHWQKPNBNFDMW-DTWKUNHWSA-N -1 0 323.353 -0.237 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@H]1C ZINC000959469061 810104073 /nfs/dbraw/zinc/10/40/73/810104073.db2.gz AWLALBNNIQDUIV-MWLCHTKSSA-N -1 0 317.349 -0.133 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000959516976 810106812 /nfs/dbraw/zinc/10/68/12/810106812.db2.gz WTCIOQUCIGHFCJ-PSASIEDQSA-N -1 0 323.353 -0.554 20 0 DBADRM CC(=O)N1C[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]2C1 ZINC000959773453 810121561 /nfs/dbraw/zinc/12/15/61/810121561.db2.gz HWKPTUMVFREKHJ-AOOOYVTPSA-N -1 0 306.322 -0.964 20 0 DBADRM O=C(c1nc[nH]n1)N1C[C@H]2CCC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001039947116 815346594 /nfs/dbraw/zinc/34/65/94/815346594.db2.gz IQRUNTRPXIXZBN-DTORHVGOSA-N -1 0 318.341 -0.493 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)Cn1nccn1 ZINC000960641663 810189628 /nfs/dbraw/zinc/18/96/28/810189628.db2.gz KJFZBJDAURRTII-JTQLQIEISA-N -1 0 320.357 -0.775 20 0 DBADRM Cc1nnccc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000960812764 810202884 /nfs/dbraw/zinc/20/28/84/810202884.db2.gz ZIROMFRZJKSQHW-IAZYJMLFSA-N -1 0 315.337 -0.531 20 0 DBADRM Cn1cncc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000960842266 810206562 /nfs/dbraw/zinc/20/65/62/810206562.db2.gz DABPHNSNHDMZMB-VROVMSAKSA-N -1 0 303.326 -0.896 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)Cc1cnc[nH]1 ZINC000960912583 810212201 /nfs/dbraw/zinc/21/22/01/810212201.db2.gz PRPPZZMXCWOUGF-NSHDSACASA-N -1 0 319.369 -0.101 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)Cc1ncc[nH]1 ZINC000960946365 810214273 /nfs/dbraw/zinc/21/42/73/810214273.db2.gz LBEIULBIXHVDRG-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)Cn1cncn1 ZINC000961003303 810217031 /nfs/dbraw/zinc/21/70/31/810217031.db2.gz SJQGZHHUOIMPRV-JTQLQIEISA-N -1 0 320.357 -0.775 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C[C@@H]1O ZINC000961072434 810224491 /nfs/dbraw/zinc/22/44/91/810224491.db2.gz CFAQTEOCSMMMRC-OLZOCXBDSA-N -1 0 324.381 -0.917 20 0 DBADRM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000961320878 810262880 /nfs/dbraw/zinc/26/28/80/810262880.db2.gz WXBZFXUYLPNTHD-IIEKFROSSA-N -1 0 321.381 -0.128 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@]3(C2)CCCN(CC(N)=O)C3)c1[O-] ZINC001040165382 815364446 /nfs/dbraw/zinc/36/44/46/815364446.db2.gz LEFPWCVENUGLNS-OAHLLOKOSA-N -1 0 321.381 -0.163 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)c1[O-] ZINC000961877538 810391806 /nfs/dbraw/zinc/39/18/06/810391806.db2.gz OEJIYMVXMDGVKS-APPZFPTMSA-N -1 0 321.293 -0.973 20 0 DBADRM O=C(Cc1ccco1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000962100443 810444756 /nfs/dbraw/zinc/44/47/56/810444756.db2.gz GXOBCGKXHXPHJT-IWIIMEHWSA-N -1 0 303.322 -0.108 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccco3)C[C@@H]2O)c1[O-] ZINC000962301759 810501802 /nfs/dbraw/zinc/50/18/02/810501802.db2.gz COCOGGZKQZDKDD-BDAKNGLRSA-N -1 0 320.305 -0.368 20 0 DBADRM C/C=C(\C)C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC000962302195 810501861 /nfs/dbraw/zinc/50/18/61/810501861.db2.gz FWXHIYKBFRVFSE-WQFVMHTJSA-N -1 0 308.338 -0.309 20 0 DBADRM CC(C)=CC(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC000962302681 810501889 /nfs/dbraw/zinc/50/18/89/810501889.db2.gz HQFJCQRVZCTJQG-ZJUUUORDSA-N -1 0 308.338 -0.309 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000962408174 810518499 /nfs/dbraw/zinc/51/84/99/810518499.db2.gz RSXDTBKBEBIECN-WOFXILAISA-N -1 0 317.353 -0.669 20 0 DBADRM CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)c1cnc([O-])n(C)c1=O ZINC000962513715 810542074 /nfs/dbraw/zinc/54/20/74/810542074.db2.gz OGCGNEBCEFCWNZ-RYUDHWBXSA-N -1 0 320.349 -0.289 20 0 DBADRM CCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000963434218 810627270 /nfs/dbraw/zinc/62/72/70/810627270.db2.gz XWHLTGWTMLIIQY-ZJUUUORDSA-N -1 0 323.353 -0.309 20 0 DBADRM CC(=O)N1C[C@@H]2CCCN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC000963793574 810661758 /nfs/dbraw/zinc/66/17/58/810661758.db2.gz BINVNIQRLAXTFH-CMPLNLGQSA-N -1 0 320.349 -0.431 20 0 DBADRM CCC(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000964646910 810793053 /nfs/dbraw/zinc/79/30/53/810793053.db2.gz WBRYGRDVBOXUOM-QMMMGPOBSA-N -1 0 309.326 -0.196 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)CC(N)=O)CC2)c1[O-] ZINC000964850568 810804449 /nfs/dbraw/zinc/80/44/49/810804449.db2.gz ZGSGMYKWGSQYJN-SECBINFHSA-N -1 0 323.353 -0.590 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)CC2)c1[O-] ZINC000964847751 810804602 /nfs/dbraw/zinc/80/46/02/810804602.db2.gz SFLBYAYRYSXYHM-QMMMGPOBSA-N -1 0 309.326 -0.980 20 0 DBADRM CC(=O)N1CCC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000965077755 810827961 /nfs/dbraw/zinc/82/79/61/810827961.db2.gz LZBCPFHGQBAYCJ-SNVBAGLBSA-N -1 0 308.338 -0.383 20 0 DBADRM CCC(=O)N1CCOC2(CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC000965247189 810845539 /nfs/dbraw/zinc/84/55/39/810845539.db2.gz OLYLFHLIMQENEE-UHFFFAOYSA-N -1 0 308.338 -0.113 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cn[nH]c1 ZINC000965373633 810871223 /nfs/dbraw/zinc/87/12/23/810871223.db2.gz QQXKANPNRPCRIC-WPRPVWTQSA-N -1 0 305.342 -0.126 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC3(C2)C[C@H](NC(=O)C2CC2)CO3)c1[O-] ZINC000965598391 810920321 /nfs/dbraw/zinc/92/03/21/810920321.db2.gz VSUGBTQQZTYWRO-JTQLQIEISA-N -1 0 320.349 -0.067 20 0 DBADRM CC(=O)N1CCC[C@@H](CN(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000965814619 810974291 /nfs/dbraw/zinc/97/42/91/810974291.db2.gz LNQQRTXSXNDUDD-NSHDSACASA-N -1 0 322.365 -0.184 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnnn1C ZINC000965980882 810999210 /nfs/dbraw/zinc/99/92/10/810999210.db2.gz QDLMPRKGBVFSRP-DTWKUNHWSA-N -1 0 320.357 -0.721 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](C)C1 ZINC000966034959 811006705 /nfs/dbraw/zinc/00/67/05/811006705.db2.gz ZPKFNODCKLZIKB-KWQFWETISA-N -1 0 303.322 -0.381 20 0 DBADRM CC(C)=CC(=O)N1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](C)C1 ZINC000966112133 811015641 /nfs/dbraw/zinc/01/56/41/811015641.db2.gz GOGXDAUMZDZADB-UWVGGRQHSA-N -1 0 323.353 -0.381 20 0 DBADRM CC(C)C(=O)N1C[C@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000966198771 811032537 /nfs/dbraw/zinc/03/25/37/811032537.db2.gz SJWQMZPMFBVNFS-GXSJLCMTSA-N -1 0 322.365 -0.281 20 0 DBADRM C/C=C(/C)C(=O)N1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](C)C1 ZINC000966309064 811050901 /nfs/dbraw/zinc/05/09/01/811050901.db2.gz PNNMYEVPMXWLBJ-BBYBGLFNSA-N -1 0 323.353 -0.381 20 0 DBADRM C/C=C(\C)C(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC000966308893 811051085 /nfs/dbraw/zinc/05/10/85/811051085.db2.gz PMTTWHWVHHDZFX-DTHNXCEOSA-N -1 0 321.337 -0.174 20 0 DBADRM CC(=O)N[C@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@@H]1C ZINC000966444103 811074316 /nfs/dbraw/zinc/07/43/16/811074316.db2.gz HTURXSHXLVSTOU-KWQFWETISA-N -1 0 303.322 -0.381 20 0 DBADRM CC(C)C(=O)N[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC000966639123 811113285 /nfs/dbraw/zinc/11/32/85/811113285.db2.gz WQUQDYBJQMGVLE-YUMQZZPRSA-N -1 0 309.326 -0.485 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NC(=O)C1CCC1 ZINC000966641577 811113403 /nfs/dbraw/zinc/11/34/03/811113403.db2.gz LAYSWTHIGVUKQZ-APPZFPTMSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NC(=O)C1CC1 ZINC000966646432 811113719 /nfs/dbraw/zinc/11/37/19/811113719.db2.gz YSVWPZOJRXEMOS-XPUUQOCRSA-N -1 0 307.310 -0.731 20 0 DBADRM CC(C)C(=O)N[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC000966663659 811117304 /nfs/dbraw/zinc/11/73/04/811117304.db2.gz QCNZDKNLEAYQHT-ONGXEEELSA-N -1 0 322.365 -0.281 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C)c1[O-] ZINC000966681323 811120711 /nfs/dbraw/zinc/12/07/11/811120711.db2.gz HPUKZMLQHDSAGI-SVRRBLITSA-N -1 0 319.325 -0.568 20 0 DBADRM C[C@H]1CN(C(=O)C(C)(C)C)C[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000966808257 811160700 /nfs/dbraw/zinc/16/07/00/811160700.db2.gz LIAYQPOQIAHLAH-YUMQZZPRSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(=O)N1CC(N2CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)C1 ZINC000967203248 811222275 /nfs/dbraw/zinc/22/22/75/811222275.db2.gz URDNXFGVWLNPQK-UHFFFAOYSA-N -1 0 307.354 -0.588 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cncn1C ZINC000967269545 811236532 /nfs/dbraw/zinc/23/65/32/811236532.db2.gz WGJNCKNGNHALOX-VHSXEESVSA-N -1 0 319.369 -0.116 20 0 DBADRM CC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2CC1 ZINC000967295075 811240491 /nfs/dbraw/zinc/24/04/91/811240491.db2.gz SZCYUZKJZWMDMY-AOOOYVTPSA-N -1 0 321.337 -0.387 20 0 DBADRM CC(=O)N(C)[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000967429349 811258335 /nfs/dbraw/zinc/25/83/35/811258335.db2.gz QLYJAQVDMKTBEV-VIFPVBQESA-N -1 0 309.326 -0.244 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCCN(C(=O)C(N)=O)CC2)c1[O-] ZINC000967517895 811262009 /nfs/dbraw/zinc/26/20/09/811262009.db2.gz LYIKLECGPGZVFX-VIFPVBQESA-N -1 0 323.353 -0.638 20 0 DBADRM CCN(C(C)=O)C1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000967718679 811285572 /nfs/dbraw/zinc/28/55/72/811285572.db2.gz PHAVEFOLLZRZTI-UHFFFAOYSA-N -1 0 309.326 -0.705 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000967780493 811295070 /nfs/dbraw/zinc/29/50/70/811295070.db2.gz PQEZELHDOKDBLY-HMUNZLOLSA-N -1 0 321.381 -0.271 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(C(=O)c2nc[nH]n2)C1 ZINC000967887929 811313068 /nfs/dbraw/zinc/31/30/68/811313068.db2.gz XKVCFHSKHXUYKA-UHFFFAOYSA-N -1 0 319.325 -0.471 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C2(C)CC2)C1 ZINC000968173500 811357996 /nfs/dbraw/zinc/35/79/96/811357996.db2.gz BXALISAIMMTZOL-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1nnc[nH]1 ZINC000968439773 811409622 /nfs/dbraw/zinc/40/96/22/811409622.db2.gz LVZJOOGSRIUHJB-YUMQZZPRSA-N -1 0 306.330 -0.731 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1nnc[nH]1 ZINC000968439771 811409720 /nfs/dbraw/zinc/40/97/20/811409720.db2.gz LVZJOOGSRIUHJB-JGVFFNPUSA-N -1 0 306.330 -0.731 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cccnn1 ZINC000968459045 811415917 /nfs/dbraw/zinc/41/59/17/811415917.db2.gz IGLVQDPPVUOWMX-GXSJLCMTSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cc1ncc[nH]1 ZINC000968477076 811421527 /nfs/dbraw/zinc/42/15/27/811421527.db2.gz PMNKJJARMUPBCL-UWVGGRQHSA-N -1 0 319.369 -0.197 20 0 DBADRM Cn1nnnc1CN[C@@H]1CCN(C(=O)c2ncccc2O)C1 ZINC000968478457 811422102 /nfs/dbraw/zinc/42/21/02/811422102.db2.gz WKAIKFVCTDWSBR-SECBINFHSA-N -1 0 303.326 -0.685 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cn1cncn1 ZINC000968614693 811455143 /nfs/dbraw/zinc/45/51/43/811455143.db2.gz MHWJFOYLWCTOIU-NXEZZACHSA-N -1 0 320.357 -0.871 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cn1ccnc1 ZINC000968702123 811478795 /nfs/dbraw/zinc/47/87/95/811478795.db2.gz KVXRDEPCTGTEAE-GHMZBOCLSA-N -1 0 319.369 -0.266 20 0 DBADRM Cc1nc(CN[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)co1 ZINC000969211495 811552985 /nfs/dbraw/zinc/55/29/85/811552985.db2.gz BZUVEEORDHMSNX-MRVPVSSYSA-N -1 0 320.309 -0.416 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC000971529338 811573272 /nfs/dbraw/zinc/57/32/72/811573272.db2.gz URTLEYRAGUKZED-LLVKDONJSA-N -1 0 319.369 -0.481 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3ccnc3)C2)c1[O-] ZINC000974031889 811580898 /nfs/dbraw/zinc/58/08/98/811580898.db2.gz DQXBIIXNJWPPBK-AOOOYVTPSA-N -1 0 318.337 -0.303 20 0 DBADRM CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000983395954 811592657 /nfs/dbraw/zinc/59/26/57/811592657.db2.gz XGHBVSFXYXLUEN-APPZFPTMSA-N -1 0 309.326 -0.340 20 0 DBADRM Cc1nn(C)cc1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000990522130 811685804 /nfs/dbraw/zinc/68/58/04/811685804.db2.gz HBFUDJFQBKDOBH-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](n2ccnn2)C1 ZINC000990849248 811788207 /nfs/dbraw/zinc/78/82/07/811788207.db2.gz TXCOGXZGBHMYAY-ZJUUUORDSA-N -1 0 319.325 -0.783 20 0 DBADRM Cc1cnoc1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990859546 811790463 /nfs/dbraw/zinc/79/04/63/811790463.db2.gz KMHRCMMWCUYTPU-UHFFFAOYSA-N -1 0 305.294 -0.025 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3c(C)ncn3C)C2)c1[O-] ZINC000990857683 811790703 /nfs/dbraw/zinc/79/07/03/811790703.db2.gz BOPASRFUIGADNN-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)CO[C@H]3CCOC3)C2)c1[O-] ZINC000990858497 811790766 /nfs/dbraw/zinc/79/07/66/811790766.db2.gz FHHCOXMHGBKXPL-JTQLQIEISA-N -1 0 324.337 -0.830 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)C(=O)C(C)(C)C)C2)c1[O-] ZINC000990863014 811791750 /nfs/dbraw/zinc/79/17/50/811791750.db2.gz APMVGDRVMUHRSV-UHFFFAOYSA-N -1 0 308.338 -0.020 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@@H]3C[C@H](C)CO3)C2)c1[O-] ZINC000990863710 811792511 /nfs/dbraw/zinc/79/25/11/811792511.db2.gz GQEPHNWFUCEHLH-XVKPBYJWSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cnn(C)c3C)C2)c1[O-] ZINC000990863090 811792576 /nfs/dbraw/zinc/79/25/76/811792576.db2.gz BYUFHJXNTDUDJH-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)CCc3ncc[nH]3)C2)c1[O-] ZINC000990864110 811792832 /nfs/dbraw/zinc/79/28/32/811792832.db2.gz JKCCMCSJOUJPJH-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cc(C)ncn3)C2)c1[O-] ZINC000990866615 811793593 /nfs/dbraw/zinc/79/35/93/811793593.db2.gz XJGKDMSRIZKUPG-UHFFFAOYSA-N -1 0 316.321 -0.223 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cnnc(C)c3)C2)c1[O-] ZINC000990865414 811793769 /nfs/dbraw/zinc/79/37/69/811793769.db2.gz POMWIOOQEACRNA-UHFFFAOYSA-N -1 0 316.321 -0.223 20 0 DBADRM Cc1cc(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)no1 ZINC000990866801 811793909 /nfs/dbraw/zinc/79/39/09/811793909.db2.gz ZIQVSQNLAZDIFO-UHFFFAOYSA-N -1 0 305.294 -0.025 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3ccnc(C)n3)C2)c1[O-] ZINC000990869063 811795055 /nfs/dbraw/zinc/79/50/55/811795055.db2.gz SYXPARBKAQBHHY-UHFFFAOYSA-N -1 0 316.321 -0.223 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)C3=CCOCC3)C2)c1[O-] ZINC000990967949 811832942 /nfs/dbraw/zinc/83/29/42/811832942.db2.gz SXSUOSBQWZWHIK-UHFFFAOYSA-N -1 0 306.322 -0.289 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cnnc(C)c3)C2)c1[O-] ZINC000991035300 811853273 /nfs/dbraw/zinc/85/32/73/811853273.db2.gz GIUPXRRJHOGGTA-UHFFFAOYSA-N -1 0 316.321 -0.223 20 0 DBADRM C[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NC(=O)C1CC1 ZINC001004312207 811972243 /nfs/dbraw/zinc/97/22/43/811972243.db2.gz GJNHXAAQUYHBHB-CBAPKCEASA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1NC(=O)C1CC1 ZINC001004312247 811972482 /nfs/dbraw/zinc/97/24/82/811972482.db2.gz GRLDIZUDXMCLPG-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CN(C(=O)CC(N)=O)CC[C@H]2C)c1[O-] ZINC001004742019 812005192 /nfs/dbraw/zinc/00/51/92/812005192.db2.gz YFPQVDZOKJJGLI-APPZFPTMSA-N -1 0 323.353 -0.734 20 0 DBADRM CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001004820596 812009807 /nfs/dbraw/zinc/00/98/07/812009807.db2.gz AEPSJYHCWKVPDE-BBBLOLIVSA-N -1 0 323.353 -0.263 20 0 DBADRM C[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001005089201 812028570 /nfs/dbraw/zinc/02/85/70/812028570.db2.gz SWFMNHXCFPXTMZ-APPZFPTMSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N[C@@H](C)C1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001005548652 812074930 /nfs/dbraw/zinc/07/49/30/812074930.db2.gz DWFDGEWENDCCLA-QMMMGPOBSA-N -1 0 318.337 -0.946 20 0 DBADRM C[C@H](NC(=O)[C@@H]1C[C@H]1C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001006571819 812219839 /nfs/dbraw/zinc/21/98/39/812219839.db2.gz QPDVXZMBJOJEJZ-KHQFGBGNSA-N -1 0 323.353 -0.692 20 0 DBADRM O=C(c1cc[nH]n1)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041088848 815510768 /nfs/dbraw/zinc/51/07/68/815510768.db2.gz DYCIZKDRYRAVTL-AWEZNQCLSA-N -1 0 317.353 -0.028 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnns1 ZINC001006818708 812250429 /nfs/dbraw/zinc/25/04/29/812250429.db2.gz DWQSEBLSXWYGBM-SSDOTTSWSA-N -1 0 309.355 -0.244 20 0 DBADRM O=C(Cc1cc[nH]n1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001006994960 812262943 /nfs/dbraw/zinc/26/29/43/812262943.db2.gz QJTHESDEFXFAEX-JTQLQIEISA-N -1 0 305.342 -0.443 20 0 DBADRM CNC(=O)[C@H](C)N1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001007132603 812269952 /nfs/dbraw/zinc/26/99/52/812269952.db2.gz ANXXTMMYESXSQN-UWVGGRQHSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cncnc1 ZINC001007185796 812274463 /nfs/dbraw/zinc/27/44/63/812274463.db2.gz XXQKQZHCQZDIBY-SNVBAGLBSA-N -1 0 303.326 -0.305 20 0 DBADRM Cn1oc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)cc1=O ZINC001007217119 812278197 /nfs/dbraw/zinc/27/81/97/812278197.db2.gz SWTSPVIDOQLHNT-QMMMGPOBSA-N -1 0 322.325 -0.804 20 0 DBADRM CCn1ncc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001007283079 812292954 /nfs/dbraw/zinc/29/29/54/812292954.db2.gz CIBDMPZWUZKCOT-VIFPVBQESA-N -1 0 320.357 -0.484 20 0 DBADRM Cc1nnc(CC(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001007306247 812295432 /nfs/dbraw/zinc/29/54/32/812295432.db2.gz FHLUZEOBJATWLL-SECBINFHSA-N -1 0 320.357 -0.740 20 0 DBADRM O=C(C[C@H]1CCNC1=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007488165 812316626 /nfs/dbraw/zinc/31/66/26/812316626.db2.gz LJGJZDYBJFCWTO-ZJUUUORDSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1ncn(C)c1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007542070 812324617 /nfs/dbraw/zinc/32/46/17/812324617.db2.gz LIMQMUOKIZXTMS-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C([C@H]1CCOC1)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041128274 815524393 /nfs/dbraw/zinc/52/43/93/815524393.db2.gz QOMKQPMBZXVOJD-NHYWBVRUSA-N -1 0 321.381 -0.029 20 0 DBADRM O=C([C@H]1CCOC1)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041128275 815524498 /nfs/dbraw/zinc/52/44/98/815524498.db2.gz QOMKQPMBZXVOJD-XHDPSFHLSA-N -1 0 321.381 -0.029 20 0 DBADRM COc1nc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001008074224 812380681 /nfs/dbraw/zinc/38/06/81/812380681.db2.gz ZDNGSMSACYAJJB-MRVPVSSYSA-N -1 0 322.325 -0.099 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008202317 812401057 /nfs/dbraw/zinc/40/10/57/812401057.db2.gz GTDMYOINPHPBLF-ZJUUUORDSA-N -1 0 322.369 -0.788 20 0 DBADRM CC(C)C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C(C)(C)C1 ZINC001008369723 812420108 /nfs/dbraw/zinc/42/01/08/812420108.db2.gz DFJKNCILVLSAMU-MRVPVSSYSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccncn1 ZINC001008926643 812490731 /nfs/dbraw/zinc/49/07/31/812490731.db2.gz RPKMONUROTXIJH-SECBINFHSA-N -1 0 303.326 -0.305 20 0 DBADRM COCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3[nH]nc(C)c3[O-])[C@@H]2C1 ZINC001008956647 812493711 /nfs/dbraw/zinc/49/37/11/812493711.db2.gz FSSLCQXEBCIPBQ-OWUUHHOZSA-N -1 0 308.338 -0.496 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ncccn1 ZINC001008957954 812493860 /nfs/dbraw/zinc/49/38/60/812493860.db2.gz VNPQZZQYJKNVLV-VIFPVBQESA-N -1 0 303.326 -0.305 20 0 DBADRM Cn1cncc1CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001009206027 812519041 /nfs/dbraw/zinc/51/90/41/812519041.db2.gz CENAVNXPTZNBNQ-SNVBAGLBSA-N -1 0 319.369 -0.433 20 0 DBADRM O=C(CC1CC1)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001009759425 812587636 /nfs/dbraw/zinc/58/76/36/812587636.db2.gz RREYMMLSSPADAI-UHFFFAOYSA-N -1 0 307.310 -0.633 20 0 DBADRM Cc1nc[nH]c1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001009764652 812588570 /nfs/dbraw/zinc/58/85/70/812588570.db2.gz VARFXUQWTORQOI-SECBINFHSA-N -1 0 305.342 -0.064 20 0 DBADRM CCC(=O)N1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001009887163 812600587 /nfs/dbraw/zinc/60/05/87/812600587.db2.gz FZYAQKSAEMBLFA-HTQZYQBOSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001010044544 812613012 /nfs/dbraw/zinc/61/30/12/812613012.db2.gz CSEOPNVICKREAT-HTQZYQBOSA-N -1 0 307.310 -0.777 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001010057065 812613932 /nfs/dbraw/zinc/61/39/32/812613932.db2.gz JESDEMKWRJRQBY-NXEZZACHSA-N -1 0 320.349 -0.574 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001010057069 812614771 /nfs/dbraw/zinc/61/47/71/812614771.db2.gz JESDEMKWRJRQBY-UWVGGRQHSA-N -1 0 320.349 -0.574 20 0 DBADRM C[C@H]1C[C@@H](CNC(=O)C2CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001010237953 812641913 /nfs/dbraw/zinc/64/19/13/812641913.db2.gz NLOZSZFGLXGHFZ-IUCAKERBSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3cn[nH]c3)CC2)c1[O-] ZINC001010436976 812698292 /nfs/dbraw/zinc/69/82/92/812698292.db2.gz POSKUWAXMSTIPX-UHFFFAOYSA-N -1 0 304.310 -0.255 20 0 DBADRM Cc1cc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n[nH]1 ZINC001010533623 812712636 /nfs/dbraw/zinc/71/26/36/812712636.db2.gz GKXYRPQDUPVQBX-VIFPVBQESA-N -1 0 305.342 -0.525 20 0 DBADRM CCn1nccc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010738404 812757791 /nfs/dbraw/zinc/75/77/91/812757791.db2.gz AYGARLZFPZRROZ-VIFPVBQESA-N -1 0 305.342 -0.269 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)Cc3cc[nH]n3)CC2)c1[O-] ZINC001010842688 812787654 /nfs/dbraw/zinc/78/76/54/812787654.db2.gz XJAUSPMRUKMTMF-UHFFFAOYSA-N -1 0 318.337 -0.326 20 0 DBADRM CC1CC(C(=O)N2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)C1 ZINC001010964319 812804719 /nfs/dbraw/zinc/80/47/19/812804719.db2.gz GUVSWGYLDTZHDJ-UHFFFAOYSA-N -1 0 321.337 -0.387 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)Cc3cnc[nH]3)CC2)c1[O-] ZINC001011009521 812812153 /nfs/dbraw/zinc/81/21/53/812812153.db2.gz IRXWSHQIZXDPMI-UHFFFAOYSA-N -1 0 318.337 -0.326 20 0 DBADRM O=C(c1ncc[nH]1)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041266717 815559735 /nfs/dbraw/zinc/55/97/35/815559735.db2.gz VLHJIQVGUZVJBX-AWEZNQCLSA-N -1 0 317.353 -0.028 20 0 DBADRM C[C@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C1CC1 ZINC001011355263 812883758 /nfs/dbraw/zinc/88/37/58/812883758.db2.gz OTOQHCSYEBTLPB-XPUUQOCRSA-N -1 0 307.310 -0.588 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C(F)F ZINC001011349894 812883938 /nfs/dbraw/zinc/88/39/38/812883938.db2.gz UGPJFCVQUVJMBS-CRCLSJGQSA-N -1 0 317.252 -0.733 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)C1CC1 ZINC001011365384 812885403 /nfs/dbraw/zinc/88/54/03/812885403.db2.gz AJTXNGPXYJZZSP-GZMMTYOYSA-N -1 0 320.349 -0.385 20 0 DBADRM CC(C)=CC(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001011446678 812893738 /nfs/dbraw/zinc/89/37/38/812893738.db2.gz GVTDVXHGCZZANC-UWVGGRQHSA-N -1 0 323.353 -0.239 20 0 DBADRM CC(C)C(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H]1C ZINC001011512033 812903361 /nfs/dbraw/zinc/90/33/61/812903361.db2.gz JZIUBFVOEJZEBX-ONGXEEELSA-N -1 0 322.365 -0.139 20 0 DBADRM Cc1c(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)[C@@H]2C)nnn1C ZINC001011609433 812919975 /nfs/dbraw/zinc/91/99/75/812919975.db2.gz GLYSNYFUFBNKMX-IONNQARKSA-N -1 0 318.341 -0.725 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@@H]3C)C2)c1[O-] ZINC001041285427 815563498 /nfs/dbraw/zinc/56/34/98/815563498.db2.gz KZMCZESAYBZYOS-IONNQARKSA-N -1 0 308.338 -0.617 20 0 DBADRM C[C@H]1[C@H](NC(=O)C2CC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001011931225 812972303 /nfs/dbraw/zinc/97/23/03/812972303.db2.gz OTRQESWIMUIDQW-POYBYMJQSA-N -1 0 307.310 -0.588 20 0 DBADRM C[C@H]1[C@@H](NC(=O)C2(C)CC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001011933148 812972797 /nfs/dbraw/zinc/97/27/97/812972797.db2.gz ZOOLEVHXPBCHTL-YUMQZZPRSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@H]1[C@H](NC(=O)C2CCC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001011929281 812973121 /nfs/dbraw/zinc/97/31/21/812973121.db2.gz GWSSNLTVUGQENK-IONNQARKSA-N -1 0 321.337 -0.198 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001011944970 812973601 /nfs/dbraw/zinc/97/36/01/812973601.db2.gz POCYRBTYTHJRCD-DTWKUNHWSA-N -1 0 311.342 -0.549 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H]1C ZINC001011959322 812977414 /nfs/dbraw/zinc/97/74/14/812977414.db2.gz IGBONPACRJQYIY-GZMMTYOYSA-N -1 0 318.337 -0.803 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)CN1C(=O)C1CC1 ZINC001012140968 813016225 /nfs/dbraw/zinc/01/62/25/813016225.db2.gz GGFRHLXSRGEDFU-WPRPVWTQSA-N -1 0 320.349 -0.385 20 0 DBADRM C[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)CC1CC1 ZINC001012160182 813018441 /nfs/dbraw/zinc/01/84/41/813018441.db2.gz OJURSAWREMVLSJ-WPRPVWTQSA-N -1 0 323.353 -0.405 20 0 DBADRM CCCC(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001012192925 813022312 /nfs/dbraw/zinc/02/23/12/813022312.db2.gz IXGAGMPTWJMRSW-BDAKNGLRSA-N -1 0 311.342 -0.405 20 0 DBADRM CCCC(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001012194155 813023154 /nfs/dbraw/zinc/02/31/54/813023154.db2.gz OTIUCLRPSIRMDT-JGVFFNPUSA-N -1 0 309.326 -0.198 20 0 DBADRM C/C=C(/C)C(=O)N1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001012449408 813057409 /nfs/dbraw/zinc/05/74/09/813057409.db2.gz LKEBECMHYYQWLF-YXCTTXFESA-N -1 0 323.353 -0.239 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C(F)F)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013493575 813141605 /nfs/dbraw/zinc/14/16/05/813141605.db2.gz VFGGYYGOIDTXCH-WDSKDSINSA-N -1 0 319.268 -0.940 20 0 DBADRM CC(C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001013546839 813148545 /nfs/dbraw/zinc/14/85/45/813148545.db2.gz CFKDZLLASZESBX-VHSXEESVSA-N -1 0 322.365 -0.139 20 0 DBADRM CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001013624475 813151798 /nfs/dbraw/zinc/15/17/98/813151798.db2.gz ACRIKRPKTNDIQR-PSASIEDQSA-N -1 0 318.337 -0.803 20 0 DBADRM CC(=O)N[C@H]1C[C@H](C)N(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001013624482 813151852 /nfs/dbraw/zinc/15/18/52/813151852.db2.gz ACRIKRPKTNDIQR-WPRPVWTQSA-N -1 0 318.337 -0.803 20 0 DBADRM CCC(=O)NC1CC2(C1)CC(NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001013920061 813180037 /nfs/dbraw/zinc/18/00/37/813180037.db2.gz XOOORJALNNTYOU-UHFFFAOYSA-N -1 0 323.353 -0.357 20 0 DBADRM CC(=O)N[C@]12CCC[C@H]1N(C(=O)c1cnc([O-])n(C)c1=O)CC2 ZINC001014116033 813210744 /nfs/dbraw/zinc/21/07/44/813210744.db2.gz VQQSKKWJLOACEA-ABAIWWIYSA-N -1 0 320.349 -0.241 20 0 DBADRM CC(=O)N1CC[C@@]2(NC(=O)c3cnc([O-])n(C)c3=O)CCC[C@@H]12 ZINC001014364595 813223157 /nfs/dbraw/zinc/22/31/57/813223157.db2.gz XJOKZCBCPVXJKY-ABAIWWIYSA-N -1 0 320.349 -0.241 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)c1[O-] ZINC001014445990 813246623 /nfs/dbraw/zinc/24/66/23/813246623.db2.gz NQEQGMMFSMFXKK-RTHLEPHNSA-N -1 0 321.337 -0.838 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001014514708 813259312 /nfs/dbraw/zinc/25/93/12/813259312.db2.gz OSKHAVHAJHAVHU-IVZWLZJFSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn2c1CCC2 ZINC001014659630 813288734 /nfs/dbraw/zinc/28/87/34/813288734.db2.gz SBEUBWMLMUQPBR-VIFPVBQESA-N -1 0 317.353 -0.343 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn2c1CCC2 ZINC001014659629 813289652 /nfs/dbraw/zinc/28/96/52/813289652.db2.gz SBEUBWMLMUQPBR-SECBINFHSA-N -1 0 317.353 -0.343 20 0 DBADRM C[C@H]1[C@@H](NC(=O)C2CC2)CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001014682159 813291579 /nfs/dbraw/zinc/29/15/79/813291579.db2.gz ZINCHYAMLLYVPV-WPRPVWTQSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C2CC2)CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001014682156 813291990 /nfs/dbraw/zinc/29/19/90/813291990.db2.gz ZINCHYAMLLYVPV-SCZZXKLOSA-N -1 0 323.353 -0.405 20 0 DBADRM O=C(C[C@H]1CCC(=O)NC1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014702028 813296768 /nfs/dbraw/zinc/29/67/68/813296768.db2.gz VAGIVKYHNWMLPG-ZJUUUORDSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1nn(C)cc1CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014752032 813305991 /nfs/dbraw/zinc/30/59/91/813305991.db2.gz IRUIJNOEVLSJEF-LLVKDONJSA-N -1 0 319.369 -0.515 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc2n1CCC2 ZINC001014775286 813310093 /nfs/dbraw/zinc/31/00/93/813310093.db2.gz QWBGJTMBLOTASZ-SECBINFHSA-N -1 0 317.353 -0.343 20 0 DBADRM Cc1ncn(C)c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014817191 813317874 /nfs/dbraw/zinc/31/78/74/813317874.db2.gz QWHROILXVPRTMA-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM C[C@@]1(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCNC(=O)C1 ZINC001014920327 813334515 /nfs/dbraw/zinc/33/45/15/813334515.db2.gz MTOPVMRWSVWCGH-LKFCYVNXSA-N -1 0 322.369 -0.883 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)ccc1=O ZINC001015069917 813363605 /nfs/dbraw/zinc/36/36/05/813363605.db2.gz JCUOKGLKPXOIQT-SNVBAGLBSA-N -1 0 318.337 -0.787 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2ncccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015110513 813370851 /nfs/dbraw/zinc/37/08/51/813370851.db2.gz UGPHBTCQPNEAQZ-MRVPVSSYSA-N -1 0 317.309 -0.923 20 0 DBADRM CC(C)C(=O)N[C@H]1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015344724 813409803 /nfs/dbraw/zinc/40/98/03/813409803.db2.gz SDOPXIDMDAHAMN-IUCAKERBSA-N -1 0 323.353 -0.047 20 0 DBADRM COc1ccnc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001015482174 813431722 /nfs/dbraw/zinc/43/17/22/813431722.db2.gz DJRQDKLZQHHWPR-SECBINFHSA-N -1 0 318.337 -0.082 20 0 DBADRM COc1nn(C)cc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015494880 813436565 /nfs/dbraw/zinc/43/65/65/813436565.db2.gz HXAIMWQSBFOPKB-QMMMGPOBSA-N -1 0 321.341 -0.743 20 0 DBADRM Cn1c(=O)cccc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015680831 813495142 /nfs/dbraw/zinc/49/51/42/813495142.db2.gz BWFQYFAGCQPHQE-VIFPVBQESA-N -1 0 318.337 -0.787 20 0 DBADRM Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015680608 813495598 /nfs/dbraw/zinc/49/55/98/813495598.db2.gz HEFFPPFOHZBIPN-SECBINFHSA-N -1 0 318.337 -0.076 20 0 DBADRM COCc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001015804249 813530541 /nfs/dbraw/zinc/53/05/41/813530541.db2.gz UOEWSFCSYAKBOG-MRVPVSSYSA-N -1 0 322.325 -0.351 20 0 DBADRM CCCn1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001015915656 813562230 /nfs/dbraw/zinc/56/22/30/813562230.db2.gz VBVIUCXVFGRJMU-VIFPVBQESA-N -1 0 320.357 -0.484 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001015961746 813573960 /nfs/dbraw/zinc/57/39/60/813573960.db2.gz BCWROBKCXUQWIZ-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@@H](C(N)=O)N1CC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001015988902 813582542 /nfs/dbraw/zinc/58/25/42/813582542.db2.gz IAUIJYGKFISCEW-JGVFFNPUSA-N -1 0 319.321 -0.394 20 0 DBADRM NC(=O)CN1CC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001015989821 813583104 /nfs/dbraw/zinc/58/31/04/813583104.db2.gz ZIRIWPQUXKJIDI-SSDOTTSWSA-N -1 0 305.294 -0.782 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(Cc2nccs2)C1 ZINC001016109615 813600044 /nfs/dbraw/zinc/60/00/44/813600044.db2.gz DDGWTZPBPASRBO-MRVPVSSYSA-N -1 0 324.366 -0.464 20 0 DBADRM CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001016128066 813603010 /nfs/dbraw/zinc/60/30/10/813603010.db2.gz LQVBVLPZLYHCDX-WDEREUQCSA-N -1 0 322.369 -0.931 20 0 DBADRM CC(=O)N1CC[C@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001016128065 813603572 /nfs/dbraw/zinc/60/35/72/813603572.db2.gz LQVBVLPZLYHCDX-QWRGUYRKSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C(Cn1ccccc1=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016216548 813621887 /nfs/dbraw/zinc/62/18/87/813621887.db2.gz HUMZGXBOTKESKE-SNVBAGLBSA-N -1 0 318.337 -0.937 20 0 DBADRM Cc1nccc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001016284659 813641020 /nfs/dbraw/zinc/64/10/20/813641020.db2.gz SQAKPXVITRTSJL-SECBINFHSA-N -1 0 303.326 -0.387 20 0 DBADRM CCn1nc(C)c(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001016423156 813667803 /nfs/dbraw/zinc/66/78/03/813667803.db2.gz FFGLQELBCJKPDA-VIFPVBQESA-N -1 0 320.357 -0.566 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CC(N(C)C(=O)c3nc[nH]n3)C2)c1[O-] ZINC001016868097 813733095 /nfs/dbraw/zinc/73/30/95/813733095.db2.gz MUAPQFUTYPDLOP-UHFFFAOYSA-N -1 0 319.325 -0.425 20 0 DBADRM O=C(NCC1=CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1)C1CC1 ZINC001017217889 813775491 /nfs/dbraw/zinc/77/54/91/813775491.db2.gz RKYSVSCZKXIMIE-UHFFFAOYSA-N -1 0 319.321 -0.419 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)c2cn[nH]n2)CN1C(=O)c1cnon1 ZINC001018252724 813881652 /nfs/dbraw/zinc/88/16/52/813881652.db2.gz YXTYGYQPRRPJNC-JGVFFNPUSA-N -1 0 305.298 -0.389 20 0 DBADRM CC(=O)N1CC[C@@H](C)[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001018467029 813917122 /nfs/dbraw/zinc/91/71/22/813917122.db2.gz VWAQSHPBRQNCIW-KOLCDFICSA-N -1 0 322.365 -0.280 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@H]1C ZINC001018598222 813935339 /nfs/dbraw/zinc/93/53/39/813935339.db2.gz LWYAWQWVZLCSGY-PSASIEDQSA-N -1 0 311.342 -0.690 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC[C@@H]1C ZINC001018600483 813935682 /nfs/dbraw/zinc/93/56/82/813935682.db2.gz ZJYJLIXTQWXZSV-ONGXEEELSA-N -1 0 322.365 -0.280 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC2(C1)CCN(C(=O)C1CC1)C2 ZINC001019222977 814093726 /nfs/dbraw/zinc/09/37/26/814093726.db2.gz YQHSDICBZWLNEU-UHFFFAOYSA-N -1 0 319.321 -0.633 20 0 DBADRM CC(=O)N1CCO[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001019873770 814249870 /nfs/dbraw/zinc/24/98/70/814249870.db2.gz AGFMKGSHTJJKOG-GHMZBOCLSA-N -1 0 308.338 -0.114 20 0 DBADRM CC(=O)N1CCO[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21 ZINC001019873772 814250186 /nfs/dbraw/zinc/25/01/86/814250186.db2.gz AGFMKGSHTJJKOG-QWRGUYRKSA-N -1 0 308.338 -0.114 20 0 DBADRM Cc1noc(CN[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001020353170 814361240 /nfs/dbraw/zinc/36/12/40/814361240.db2.gz SBSIRSLCCWFMAX-LJGSYFOKSA-N -1 0 321.297 -0.975 20 0 DBADRM CN(C(=O)Cc1cncnc1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033040193 814403440 /nfs/dbraw/zinc/40/34/40/814403440.db2.gz AGXYXXCZTPVHTE-NSHDSACASA-N -1 0 317.353 -0.424 20 0 DBADRM CN(C(=O)[C@H]1CCCC(=O)N1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033174979 814435515 /nfs/dbraw/zinc/43/55/15/814435515.db2.gz BRXHGTZGHHADOS-VHSXEESVSA-N -1 0 322.369 -0.788 20 0 DBADRM CN(C(=O)[C@H]1CCCNC1=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033171531 814435963 /nfs/dbraw/zinc/43/59/63/814435963.db2.gz ZGCBKTAEOLAADL-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1n[nH]nc1C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033318438 814470492 /nfs/dbraw/zinc/47/04/92/814470492.db2.gz MHFWQMOEHJZRBG-QMMMGPOBSA-N -1 0 306.330 -0.717 20 0 DBADRM CN(C(=O)c1c[nH]c(=O)n1C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033331608 814477906 /nfs/dbraw/zinc/47/79/06/814477906.db2.gz JEKNZEQDADMBIC-QMMMGPOBSA-N -1 0 321.341 -0.704 20 0 DBADRM CN(C(=O)[C@@H]1CCN(C)C1=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033341076 814482171 /nfs/dbraw/zinc/48/21/71/814482171.db2.gz LAXWKYLLHWIIEQ-VHSXEESVSA-N -1 0 322.369 -0.979 20 0 DBADRM CN(C(=O)[C@@H]1CCC(=O)N1C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033347239 814485928 /nfs/dbraw/zinc/48/59/28/814485928.db2.gz XDVLLHCPKOHJBI-ZJUUUORDSA-N -1 0 322.369 -0.836 20 0 DBADRM CN(C(=O)c1ccnnc1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033452620 814511680 /nfs/dbraw/zinc/51/16/80/814511680.db2.gz JXAFDBMKEWLSLP-JTQLQIEISA-N -1 0 303.326 -0.353 20 0 DBADRM CN(C(=O)c1cccnn1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033525372 814531298 /nfs/dbraw/zinc/53/12/98/814531298.db2.gz GAOBBVSFWDFBNV-SECBINFHSA-N -1 0 303.326 -0.353 20 0 DBADRM Cc1nonc1CC(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033538179 814534274 /nfs/dbraw/zinc/53/42/74/814534274.db2.gz RNTMPHISGHXKKW-VIFPVBQESA-N -1 0 321.341 -0.523 20 0 DBADRM Cc1nonc1C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033707250 814576679 /nfs/dbraw/zinc/57/66/79/814576679.db2.gz XXYQPUJKMIKXDU-MRVPVSSYSA-N -1 0 307.314 -0.452 20 0 DBADRM CCN(C(=O)[C@H]1CCC(=O)N1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033774136 814585652 /nfs/dbraw/zinc/58/56/52/814585652.db2.gz ZFLXMVQNLAXHQV-VHSXEESVSA-N -1 0 322.369 -0.788 20 0 DBADRM CCN(C(=O)c1nc[nH]n1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033995119 814620810 /nfs/dbraw/zinc/62/08/10/814620810.db2.gz WYBNSRJTZZBFGT-QMMMGPOBSA-N -1 0 306.330 -0.635 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCCN([C@H]3CCNC3=O)C2)c1[O-] ZINC001034168084 814638168 /nfs/dbraw/zinc/63/81/68/814638168.db2.gz GVPCYYCNBOHOPU-QWRGUYRKSA-N -1 0 321.381 -0.103 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCCN([C@@H](C)C(N)=O)C2)c1[O-] ZINC001034165430 814638431 /nfs/dbraw/zinc/63/84/31/814638431.db2.gz NNZJBHYPPRLNEF-UWVGGRQHSA-N -1 0 309.370 -0.118 20 0 DBADRM CNC(=O)CN1CCCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001034170538 814638945 /nfs/dbraw/zinc/63/89/45/814638945.db2.gz VFVMHOBWYZPWLN-SNVBAGLBSA-N -1 0 309.370 -0.246 20 0 DBADRM O=C(N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCNC1=O ZINC001034345213 814666934 /nfs/dbraw/zinc/66/69/34/814666934.db2.gz NJUVHGPXXRNPIL-NXEZZACHSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(Cn1cncn1)N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034518115 814693614 /nfs/dbraw/zinc/69/36/14/814693614.db2.gz RYTFVMQIXNHHBO-JTQLQIEISA-N -1 0 320.357 -0.727 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ccco1 ZINC001035271367 814873488 /nfs/dbraw/zinc/87/34/88/814873488.db2.gz UEEFTTLWVAJKJX-VIFPVBQESA-N -1 0 307.310 -0.266 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)[nH]n1 ZINC001035299387 814881859 /nfs/dbraw/zinc/88/18/59/814881859.db2.gz CJXIIIPEFWTVTQ-SECBINFHSA-N -1 0 321.341 -0.827 20 0 DBADRM Cc1nc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)co1 ZINC001035349065 814901336 /nfs/dbraw/zinc/90/13/36/814901336.db2.gz HQUKUASOBLKUTB-SECBINFHSA-N -1 0 322.325 -0.562 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@H]1CC1(F)F ZINC001035358534 814904959 /nfs/dbraw/zinc/90/49/59/814904959.db2.gz NNLXHGLJGXXQSA-HTQZYQBOSA-N -1 0 317.296 -0.518 20 0 DBADRM O=C(c1cnon1)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041749081 815713864 /nfs/dbraw/zinc/71/38/64/815713864.db2.gz ZOHJIDBOFRXGCO-ZDUSSCGKSA-N -1 0 319.325 -0.369 20 0 DBADRM O=C(c1cc[nH]n1)N1CC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001041957271 815780855 /nfs/dbraw/zinc/78/08/55/815780855.db2.gz FMEGTSOJBGCWSY-ONGXEEELSA-N -1 0 317.353 -0.030 20 0 DBADRM O=C(c1cc[nH]n1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001041957270 815781060 /nfs/dbraw/zinc/78/10/60/815781060.db2.gz FMEGTSOJBGCWSY-MWLCHTKSSA-N -1 0 317.353 -0.030 20 0 DBADRM O=C(c1cnon1)N1CC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001042278964 815876620 /nfs/dbraw/zinc/87/66/20/815876620.db2.gz CINONLJSFZPQHN-WPRPVWTQSA-N -1 0 319.325 -0.370 20 0 DBADRM Cc1cnc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001042437538 815912228 /nfs/dbraw/zinc/91/22/28/815912228.db2.gz XRLHAALCXIRQOE-UHFFFAOYSA-N -1 0 303.326 -0.435 20 0 DBADRM Cc1ncncc1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042507252 815932573 /nfs/dbraw/zinc/93/25/73/815932573.db2.gz RGYGTZKIRBXMKR-UHFFFAOYSA-N -1 0 303.326 -0.435 20 0 DBADRM Cc1cnn(CC(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001042519435 815936205 /nfs/dbraw/zinc/93/62/05/815936205.db2.gz NPJMJJQAIFNFDX-UHFFFAOYSA-N -1 0 305.342 -0.642 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)c3ccco3)C2)c1[O-] ZINC001042571932 815956254 /nfs/dbraw/zinc/95/62/54/815956254.db2.gz BQMVTFXISSTEOG-UHFFFAOYSA-N -1 0 320.305 -0.366 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC34CC4)C2)c1[O-] ZINC001042579979 815959125 /nfs/dbraw/zinc/95/91/25/815959125.db2.gz HLQKERCMFKASIY-VIFPVBQESA-N -1 0 320.349 -0.473 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(CCN3CCNC3=O)C2)c1[O-] ZINC001042619846 815970225 /nfs/dbraw/zinc/97/02/25/815970225.db2.gz OQYIZWDEXFNLHQ-UHFFFAOYSA-N -1 0 322.369 -0.795 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(Cc3nncn3C)C2)c1[O-] ZINC001042619390 815970247 /nfs/dbraw/zinc/97/02/47/815970247.db2.gz AYQCNUDORSRJTB-UHFFFAOYSA-N -1 0 305.342 -0.491 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN([C@@H](C)C(=O)N(C)C)C2)c1[O-] ZINC001042620191 815970374 /nfs/dbraw/zinc/97/03/74/815970374.db2.gz XMLDBFFZQGYDCG-VIFPVBQESA-N -1 0 309.370 -0.343 20 0 DBADRM C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042661720 815984947 /nfs/dbraw/zinc/98/49/47/815984947.db2.gz KWHANPHPSCZEIG-GXSJLCMTSA-N -1 0 309.370 -0.032 20 0 DBADRM CN(C(=O)Cc1cncnc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042670280 815987812 /nfs/dbraw/zinc/98/78/12/815987812.db2.gz YOAGFCWKYGKFDC-UHFFFAOYSA-N -1 0 303.326 -0.814 20 0 DBADRM CCn1ncc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001042690677 815997075 /nfs/dbraw/zinc/99/70/75/815997075.db2.gz KSQLZAONPGEROU-UHFFFAOYSA-N -1 0 306.330 -0.922 20 0 DBADRM CN(C(=O)C[C@@H]1CCC(=O)NC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042898293 816057640 /nfs/dbraw/zinc/05/76/40/816057640.db2.gz ZCDXPTIXVCUQRC-VIFPVBQESA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1ncc(CC(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001042908196 816060467 /nfs/dbraw/zinc/06/04/67/816060467.db2.gz BUYJBHCLJPZFFV-UHFFFAOYSA-N -1 0 306.326 -0.308 20 0 DBADRM Cc1nn(C)cc1CC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042942087 816073166 /nfs/dbraw/zinc/07/31/66/816073166.db2.gz DUSOXPBGPUQQSU-UHFFFAOYSA-N -1 0 319.369 -0.562 20 0 DBADRM CN(C(=O)c1cnc2n1CCC2)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042958610 816078823 /nfs/dbraw/zinc/07/88/23/816078823.db2.gz ICIVEPMFYPHHKK-UHFFFAOYSA-N -1 0 317.353 -0.391 20 0 DBADRM CO[C@@H]1CCC[C@H]1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043143875 816127600 /nfs/dbraw/zinc/12/76/00/816127600.db2.gz PMESADFOXRXMQO-GHMZBOCLSA-N -1 0 309.370 -0.032 20 0 DBADRM CN(C(=O)c1n[nH]c2c1CCC2)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043203399 816140954 /nfs/dbraw/zinc/14/09/54/816140954.db2.gz BMXFTUIVNOMFNM-UHFFFAOYSA-N -1 0 317.353 -0.322 20 0 DBADRM CCc1c(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001043214439 816144298 /nfs/dbraw/zinc/14/42/98/816144298.db2.gz CLXBONKGEDKNBU-UHFFFAOYSA-N -1 0 319.369 -0.237 20 0 DBADRM Cc1ncoc1CN1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001043231103 816149602 /nfs/dbraw/zinc/14/96/02/816149602.db2.gz RHROXVFASNZHTP-UHFFFAOYSA-N -1 0 320.309 -0.464 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(Cc2cncs2)C1 ZINC001043230838 816149870 /nfs/dbraw/zinc/14/98/70/816149870.db2.gz FTUQFUTUUQROJE-UHFFFAOYSA-N -1 0 322.350 -0.304 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(Cc2nncs2)C1 ZINC001043231141 816149894 /nfs/dbraw/zinc/14/98/94/816149894.db2.gz UCPXUQWYXWLFNR-UHFFFAOYSA-N -1 0 323.338 -0.909 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(Cc2cnsn2)C1 ZINC001043231072 816149910 /nfs/dbraw/zinc/14/99/10/816149910.db2.gz PQKKDPUCCVRITK-UHFFFAOYSA-N -1 0 323.338 -0.909 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N(C)C2CN(C[C@H](C)O)C2)cc1=O ZINC001043243533 816151549 /nfs/dbraw/zinc/15/15/49/816151549.db2.gz PQXYTMFOENFMBG-LBPRGKRZSA-N -1 0 324.425 -0.102 20 0 DBADRM COc1cnc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nc1 ZINC001043297460 816159311 /nfs/dbraw/zinc/15/93/11/816159311.db2.gz MJQGIBIVLNAWOF-UHFFFAOYSA-N -1 0 319.325 -0.735 20 0 DBADRM CN(C(=O)[C@]1(C)CCC(=O)NC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043599332 816231353 /nfs/dbraw/zinc/23/13/53/816231353.db2.gz MNBJHFXPYPBYCG-CQSZACIVSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCCO1 ZINC001043806816 816275441 /nfs/dbraw/zinc/27/54/41/816275441.db2.gz CGNXQMNZAMBQHB-KOLCDFICSA-N -1 0 309.370 -0.032 20 0 DBADRM CCn1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)c(C)n1 ZINC001043986223 816329719 /nfs/dbraw/zinc/32/97/19/816329719.db2.gz ASPGEDKTOYVYJF-UHFFFAOYSA-N -1 0 319.369 -0.008 20 0 DBADRM CCCN1CC(N(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001044061257 816346441 /nfs/dbraw/zinc/34/64/41/816346441.db2.gz ADWNDJCFLAUFBF-UHFFFAOYSA-N -1 0 304.354 -0.376 20 0 DBADRM CC(C)N1CC(N(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001044061439 816347058 /nfs/dbraw/zinc/34/70/58/816347058.db2.gz GWBXGDMXQMUMOD-UHFFFAOYSA-N -1 0 304.354 -0.378 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)CCO1 ZINC001044097571 816356428 /nfs/dbraw/zinc/35/64/28/816356428.db2.gz KFPSZEONVZVRBF-NXEZZACHSA-N -1 0 309.370 -0.032 20 0 DBADRM COc1ccc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001044139326 816369406 /nfs/dbraw/zinc/36/94/06/816369406.db2.gz GMFBIWYTPGRRED-UHFFFAOYSA-N -1 0 319.325 -0.735 20 0 DBADRM C[C@@H](C(N)=O)N1CC(N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001044182395 816381041 /nfs/dbraw/zinc/38/10/41/816381041.db2.gz UACYFXYQMTXPTQ-ZETCQYMHSA-N -1 0 319.321 -0.442 20 0 DBADRM C[C@H](C(N)=O)N1CC(N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001044182392 816381060 /nfs/dbraw/zinc/38/10/60/816381060.db2.gz UACYFXYQMTXPTQ-SSDOTTSWSA-N -1 0 319.321 -0.442 20 0 DBADRM Cc1cnc(CN2CC(N(C)C(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001044230532 816388118 /nfs/dbraw/zinc/38/81/18/816388118.db2.gz BSFLBSRKTZQJOT-UHFFFAOYSA-N -1 0 322.325 -0.671 20 0 DBADRM Cc1cc(CN2CC(N(C)C(=O)Cn3c(=O)[n-][nH]c3=O)C2)on1 ZINC001044231756 816388791 /nfs/dbraw/zinc/38/87/91/816388791.db2.gz XTLBTBNWPOTDBW-UHFFFAOYSA-N -1 0 322.325 -0.671 20 0 DBADRM CC[C@H](CN1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1)OC ZINC001044235831 816389225 /nfs/dbraw/zinc/38/92/25/816389225.db2.gz DJAKEGDGZXQDFE-SNVBAGLBSA-N -1 0 313.358 -0.743 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(Cc2ccns2)C1 ZINC001044236563 816389333 /nfs/dbraw/zinc/38/93/33/816389333.db2.gz OQYKOBVWMRDQAQ-UHFFFAOYSA-N -1 0 324.366 -0.511 20 0 DBADRM Cc1conc1CN1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001044236949 816389446 /nfs/dbraw/zinc/38/94/46/816389446.db2.gz SQYRWIKQRUJSPB-UHFFFAOYSA-N -1 0 322.325 -0.671 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(Cc2cscn2)C1 ZINC001044237106 816389526 /nfs/dbraw/zinc/38/95/26/816389526.db2.gz VYBYXACWJUHVTB-UHFFFAOYSA-N -1 0 324.366 -0.511 20 0 DBADRM Cc1oncc1CN1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001044236837 816389779 /nfs/dbraw/zinc/38/97/79/816389779.db2.gz QVHGYTRVCFYBAE-UHFFFAOYSA-N -1 0 322.325 -0.671 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C3(C)CCC3)C2)c1[O-] ZINC001044530778 816453702 /nfs/dbraw/zinc/45/37/02/816453702.db2.gz UMDGKWRUEIVDIW-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]2C[NH2+]Cc2n[nH]c(=O)[n-]2)c1[O-] ZINC001044998846 816537978 /nfs/dbraw/zinc/53/79/78/816537978.db2.gz QBWGZXSVECLHNB-QMMMGPOBSA-N -1 0 321.341 -0.358 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@H]1CNCc1ccon1 ZINC001045106749 816562186 /nfs/dbraw/zinc/56/21/86/816562186.db2.gz VQJUYVPBKPLLIR-VIFPVBQESA-N -1 0 320.309 -0.335 20 0 DBADRM CC1(NC(=O)c2nnc[nH]2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001045591602 816662162 /nfs/dbraw/zinc/66/21/62/816662162.db2.gz CSTCDYJLTKQZAH-UHFFFAOYSA-N -1 0 306.330 -0.587 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C[C@H]3C[C@@H]3C)C2)c1[O-] ZINC001045744318 816686387 /nfs/dbraw/zinc/68/63/87/816686387.db2.gz LULUHGYNRMFCBW-WCBMZHEXSA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CC(N)=O)c1[O-] ZINC001045756680 816688923 /nfs/dbraw/zinc/68/89/23/816688923.db2.gz KRTINOXLVLSEOK-ZJUUUORDSA-N -1 0 307.354 -0.412 20 0 DBADRM NC(=O)C(=O)N1CCCC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001045962977 816703942 /nfs/dbraw/zinc/70/39/42/816703942.db2.gz VEAQUWFNEBWCBO-AWEZNQCLSA-N -1 0 322.369 -0.800 20 0 DBADRM Cc1c(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)nnn1C ZINC001046204633 816781609 /nfs/dbraw/zinc/78/16/09/816781609.db2.gz FLPSBVOMUHNMOM-ZDUSSCGKSA-N -1 0 320.357 -0.658 20 0 DBADRM CC[C@@H](C(N)=O)N1CC[C@@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001046238566 816789956 /nfs/dbraw/zinc/78/99/56/816789956.db2.gz GVHAOSAWOZNDTF-LKFCYVNXSA-N -1 0 309.370 -0.118 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN([C@H]3CCN(C)C3=O)C2)c1[O-] ZINC001046240251 816791712 /nfs/dbraw/zinc/79/17/12/816791712.db2.gz QYPZDMUZTSKHPE-ZUZCIYMTSA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN(CC(=O)N3CCC3)C2)c1[O-] ZINC001046246770 816792901 /nfs/dbraw/zinc/79/29/01/816792901.db2.gz OWUGAZNJOPNGFG-OAHLLOKOSA-N -1 0 321.381 -0.150 20 0 DBADRM CCn1ncc(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001046299003 816812611 /nfs/dbraw/zinc/81/26/11/816812611.db2.gz YSXPGAFEFXADHM-ZDUSSCGKSA-N -1 0 320.357 -0.484 20 0 DBADRM C[C@@]1(NC(=O)c2csnn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046518938 816867262 /nfs/dbraw/zinc/86/72/62/816867262.db2.gz ZMIOYBGYVGKTOZ-LLVKDONJSA-N -1 0 309.355 -0.244 20 0 DBADRM Cc1cnn(C)c1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046552084 816883244 /nfs/dbraw/zinc/88/32/44/816883244.db2.gz RXHQWRGEFGLXHB-AWEZNQCLSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001046691629 816923667 /nfs/dbraw/zinc/92/36/67/816923667.db2.gz XYCUAVRGTUHLJM-ZDUSSCGKSA-N -1 0 305.342 -0.064 20 0 DBADRM C[C@@]1(NC(=O)c2ccncn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046709931 816927936 /nfs/dbraw/zinc/92/79/36/816927936.db2.gz RQUCZLPZIICAOK-CYBMUJFWSA-N -1 0 303.326 -0.305 20 0 DBADRM CN(C(=O)c1cccs1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047288336 817038891 /nfs/dbraw/zinc/03/88/91/817038891.db2.gz PHBNZCHHKIUHHP-IUCAKERBSA-N -1 0 323.378 -0.111 20 0 DBADRM Cc1ccc(C(=O)N(C)[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)o1 ZINC001047292435 817041090 /nfs/dbraw/zinc/04/10/90/817041090.db2.gz IXEUSQUBYFFQTK-UWVGGRQHSA-N -1 0 321.337 -0.271 20 0 DBADRM CN(C(=O)C=C1CCC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047345767 817078211 /nfs/dbraw/zinc/07/82/11/817078211.db2.gz WMBLQRRVOUNYSS-QWRGUYRKSA-N -1 0 307.354 -0.376 20 0 DBADRM Cc1nc(C(=O)N(C)[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)co1 ZINC001047360464 817085261 /nfs/dbraw/zinc/08/52/61/817085261.db2.gz OMBOPCPCYIGPFU-UWVGGRQHSA-N -1 0 322.325 -0.876 20 0 DBADRM CN(C(=O)[C@@H]1CCC1(C)C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047494882 817167074 /nfs/dbraw/zinc/16/70/74/817167074.db2.gz UUVFEYQCWJSRDK-DCAQKATOSA-N -1 0 323.397 -0.050 20 0 DBADRM Cc1nocc1C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047510124 817177069 /nfs/dbraw/zinc/17/70/69/817177069.db2.gz DDCVOEZWJGZDKP-UWVGGRQHSA-N -1 0 322.325 -0.876 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047520989 817183457 /nfs/dbraw/zinc/18/34/57/817183457.db2.gz HKRAJJUZVMNNBL-WYUUTHIRSA-N -1 0 323.397 -0.050 20 0 DBADRM CN(C(=O)c1c[n-]n2c1nccc2=O)[C@H]1CN(CCF)C[C@@H]1O ZINC001047554203 817198134 /nfs/dbraw/zinc/19/81/34/817198134.db2.gz OMYMLKHMLXFXRL-QWRGUYRKSA-N -1 0 323.328 -0.891 20 0 DBADRM Cc1cnoc1C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047584187 817216291 /nfs/dbraw/zinc/21/62/91/817216291.db2.gz NHJXJQPBEOZQFS-IUCAKERBSA-N -1 0 322.325 -0.876 20 0 DBADRM CCCC(=O)N(C)[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC001048032576 817292533 /nfs/dbraw/zinc/29/25/33/817292533.db2.gz WVKVTOCTZCGCGF-UWVGGRQHSA-N -1 0 310.354 -0.132 20 0 DBADRM O=C(c1cnccn1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048652907 817390772 /nfs/dbraw/zinc/39/07/72/817390772.db2.gz VMFQZUZNIJYWSW-AOOOYVTPSA-N -1 0 315.337 -0.496 20 0 DBADRM O=C([C@H]1CCCO1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048667370 817393648 /nfs/dbraw/zinc/39/36/48/817393648.db2.gz ZQINRCFUQMSCRI-OUAUKWLOSA-N -1 0 307.354 -0.421 20 0 DBADRM CCO[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048699758 817405016 /nfs/dbraw/zinc/40/50/16/817405016.db2.gz WBLBTGYJLMUQMF-WHOHXGKFSA-N -1 0 321.381 -0.175 20 0 DBADRM Cn1nccc1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048717506 817411184 /nfs/dbraw/zinc/41/11/84/817411184.db2.gz YOSCNMKZVQRTDG-AOOOYVTPSA-N -1 0 317.353 -0.552 20 0 DBADRM O=C(c1cocn1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048720075 817412346 /nfs/dbraw/zinc/41/23/46/817412346.db2.gz HZAWUMPWFCDZQM-DTORHVGOSA-N -1 0 304.310 -0.298 20 0 DBADRM O=C(C[C@@H]1CCOC1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048734656 817420464 /nfs/dbraw/zinc/42/04/64/817420464.db2.gz PEGPMQCNHQUQGE-SDDRHHMPSA-N -1 0 321.381 -0.173 20 0 DBADRM CC(C)(O)CC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048795419 817438584 /nfs/dbraw/zinc/43/85/84/817438584.db2.gz SMKUXAPIFXEZES-AOOOYVTPSA-N -1 0 309.370 -0.439 20 0 DBADRM O=C(c1cn[nH]n1)N1CCC[C@@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001049571339 817610865 /nfs/dbraw/zinc/61/08/65/817610865.db2.gz RURKSCCRGXSTBI-NXEZZACHSA-N -1 0 318.341 -0.493 20 0 DBADRM CO[C@H](C)C(=O)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001049988480 817662232 /nfs/dbraw/zinc/66/22/32/817662232.db2.gz PTZQOCUARAEMSE-OUAUKWLOSA-N -1 0 309.370 -0.032 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1cccnc1 ZINC001050787137 817757368 /nfs/dbraw/zinc/75/73/68/817757368.db2.gz JQXXOFUXXTYUNJ-NSHDSACASA-N -1 0 318.337 -0.464 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ccco1 ZINC001050788472 817758133 /nfs/dbraw/zinc/75/81/33/817758133.db2.gz WXBWHYUNLBAHPD-SECBINFHSA-N -1 0 307.310 -0.266 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2COCCN2Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001050831118 817769007 /nfs/dbraw/zinc/76/90/07/817769007.db2.gz ULQFKQOFYIEXQA-SECBINFHSA-N -1 0 321.341 -0.827 20 0 DBADRM Cc1ocnc1C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001050836216 817770863 /nfs/dbraw/zinc/77/08/63/817770863.db2.gz NREHBEIDISUJQN-VIFPVBQESA-N -1 0 322.325 -0.562 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1cscn1 ZINC001050848103 817776388 /nfs/dbraw/zinc/77/63/88/817776388.db2.gz YDZBMQPYNXMTSX-MRVPVSSYSA-N -1 0 324.366 -0.402 20 0 DBADRM Cc1cc[nH]c1C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001050904519 817790487 /nfs/dbraw/zinc/79/04/87/817790487.db2.gz GCODSVDMFIYLKC-SNVBAGLBSA-N -1 0 320.353 -0.222 20 0 DBADRM CCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001051286522 817897009 /nfs/dbraw/zinc/89/70/09/817897009.db2.gz BLYXPXCEMLEUSR-SFYZADRCSA-N -1 0 309.326 -0.340 20 0 DBADRM CCN1CC2(C1)C[C@H](NC(=O)c1c[n-]n3c1nccc3=O)CO2 ZINC001053948669 818047993 /nfs/dbraw/zinc/04/79/93/818047993.db2.gz QGJMPHZRAVLMGK-JTQLQIEISA-N -1 0 317.349 -0.384 20 0 DBADRM CCN1CC2(C1)C[C@@H](NC(=O)c1c[n-]n3c1nccc3=O)CO2 ZINC001053948670 818048162 /nfs/dbraw/zinc/04/81/62/818048162.db2.gz QGJMPHZRAVLMGK-SNVBAGLBSA-N -1 0 317.349 -0.384 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NCc1ccon1 ZINC001054858852 818189007 /nfs/dbraw/zinc/18/90/07/818189007.db2.gz CHLUILNGALPFEW-CBAPKCEASA-N -1 0 320.309 -0.479 20 0 DBADRM CCC(=O)N[C@]1(CO)CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001055662300 818270917 /nfs/dbraw/zinc/27/09/17/818270917.db2.gz UICWLPMMJSAMNY-CQSZACIVSA-N -1 0 310.354 -0.083 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(CO)CCCN(C(=O)C3CC3)C2)c1[O-] ZINC001055887900 818326130 /nfs/dbraw/zinc/32/61/30/818326130.db2.gz PJBYZMSIEXWTNS-HNNXBMFYSA-N -1 0 322.365 -0.083 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(c2cccc(F)n2)CC1 ZINC001056082993 818366539 /nfs/dbraw/zinc/36/65/39/818366539.db2.gz FTSWDEHQWQIYID-UHFFFAOYSA-N -1 0 320.284 -0.221 20 0 DBADRM Cc1cc(N[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)ncn1 ZINC001056678206 818434262 /nfs/dbraw/zinc/43/42/62/818434262.db2.gz MNZNECCXQPKSAN-SECBINFHSA-N -1 0 319.325 -0.499 20 0 DBADRM COCCC(=O)N(CCO)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001056732740 818443924 /nfs/dbraw/zinc/44/39/24/818443924.db2.gz VZNQQRMEXHNNIM-UHFFFAOYSA-N -1 0 314.342 -0.989 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)C2CCC2)c1[O-] ZINC001056761485 818462830 /nfs/dbraw/zinc/46/28/30/818462830.db2.gz QZQMJMHBAPRCHU-UHFFFAOYSA-N -1 0 310.354 -0.225 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](Nc2nccnc2F)C1 ZINC001056823056 818492242 /nfs/dbraw/zinc/49/22/42/818492242.db2.gz AHJLIVAYOHXEEQ-ZCFIWIBFSA-N -1 0 321.272 -0.462 20 0 DBADRM Cc1ccnc(N[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001056823722 818492331 /nfs/dbraw/zinc/49/23/31/818492331.db2.gz UGJJTZNLQLGRMF-MRVPVSSYSA-N -1 0 317.309 -0.292 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)[C@H]2C[C@@H]2C)c1[O-] ZINC001056850946 818499674 /nfs/dbraw/zinc/49/96/74/818499674.db2.gz JKZRRKRENMAHMC-WPRPVWTQSA-N -1 0 310.354 -0.370 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)c2ccc[nH]2)c1[O-] ZINC001056950424 818536090 /nfs/dbraw/zinc/53/60/90/818536090.db2.gz SLFKKSXYJFBSDR-UHFFFAOYSA-N -1 0 321.337 -0.384 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)c2cc[nH]c2)c1[O-] ZINC001057842413 818808086 /nfs/dbraw/zinc/80/80/86/818808086.db2.gz XZHKIJLBTWVVCD-UHFFFAOYSA-N -1 0 321.337 -0.384 20 0 DBADRM CC[C@@H](F)C(=O)N(CCO)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001058380438 818934615 /nfs/dbraw/zinc/93/46/15/818934615.db2.gz FMKNQZVKQQWSSL-SECBINFHSA-N -1 0 316.333 -0.277 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(c2ncc(F)cn2)C1 ZINC001058413031 818945447 /nfs/dbraw/zinc/94/54/47/818945447.db2.gz JAHYAYYJZNBGNH-MRVPVSSYSA-N -1 0 323.288 -0.987 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(c2cc(F)ncn2)C1 ZINC001058413495 818945648 /nfs/dbraw/zinc/94/56/48/818945648.db2.gz WFFOKMOGUSPZPD-SSDOTTSWSA-N -1 0 323.288 -0.987 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(c2cccc(F)n2)C1 ZINC001058413121 818945854 /nfs/dbraw/zinc/94/58/54/818945854.db2.gz LRYLBMTVWJSRFG-MRVPVSSYSA-N -1 0 322.300 -0.382 20 0 DBADRM Cc1ccnc(N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001058412934 818945959 /nfs/dbraw/zinc/94/59/59/818945959.db2.gz GWDXSFQKTVLWCZ-VIFPVBQESA-N -1 0 319.325 -0.817 20 0 DBADRM Cc1nccc(N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001058603564 819005587 /nfs/dbraw/zinc/00/55/87/819005587.db2.gz BEBAZRCJYOFHKB-QMMMGPOBSA-N -1 0 317.309 -0.610 20 0 DBADRM Cc1ccnc(N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001058604388 819005640 /nfs/dbraw/zinc/00/56/40/819005640.db2.gz XKCNMJDCRIJNSE-QMMMGPOBSA-N -1 0 317.309 -0.610 20 0 DBADRM Cc1nccc(N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001058603563 819005711 /nfs/dbraw/zinc/00/57/11/819005711.db2.gz BEBAZRCJYOFHKB-MRVPVSSYSA-N -1 0 317.309 -0.610 20 0 DBADRM Cc1nsc(N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001058603804 819005724 /nfs/dbraw/zinc/00/57/24/819005724.db2.gz IIYFSSYOJTZXPJ-ZCFIWIBFSA-N -1 0 323.338 -0.549 20 0 DBADRM O=C(N[C@@H]1CCN(c2ncc(F)cn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001058604329 819005884 /nfs/dbraw/zinc/00/58/84/819005884.db2.gz WCNGZUSFXZGLNO-SSDOTTSWSA-N -1 0 321.272 -0.779 20 0 DBADRM Cc1nsc(N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001058603803 819006006 /nfs/dbraw/zinc/00/60/06/819006006.db2.gz IIYFSSYOJTZXPJ-LURJTMIESA-N -1 0 323.338 -0.549 20 0 DBADRM CCC(=O)N1CC[C@H](CCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001058952754 819090075 /nfs/dbraw/zinc/09/00/75/819090075.db2.gz XAGBXOQUPBPGCC-QMMMGPOBSA-N -1 0 309.326 -0.339 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001058989731 819095627 /nfs/dbraw/zinc/09/56/27/819095627.db2.gz WZLUREMXEYDAHC-SECBINFHSA-N -1 0 323.353 -0.546 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](Nc2cnc(F)cn2)C1 ZINC001059118145 819111200 /nfs/dbraw/zinc/11/12/00/819111200.db2.gz AQQKYLIUHHWJDD-LURJTMIESA-N -1 0 321.272 -0.462 20 0 DBADRM Cc1nsc(N[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001059118560 819111428 /nfs/dbraw/zinc/11/14/28/819111428.db2.gz OZPSVQYKJRCLIG-LURJTMIESA-N -1 0 323.338 -0.231 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](Nc2nccnc2F)C1 ZINC001059270856 819127266 /nfs/dbraw/zinc/12/72/66/819127266.db2.gz RRZKAQXJNKVIAY-LJGSYFOKSA-N -1 0 323.288 -0.622 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](CCNC(=O)CC(N)=O)C2)c1[O-] ZINC001059477504 819146733 /nfs/dbraw/zinc/14/67/33/819146733.db2.gz GFZASMLLEGCUJA-VIFPVBQESA-N -1 0 323.353 -0.732 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CC[C@H](CNC(=O)C(N)=O)CC2)c1[O-] ZINC001060710068 819227330 /nfs/dbraw/zinc/22/73/30/819227330.db2.gz LGWSWCLOQIXQFX-KYZUINATSA-N -1 0 323.353 -0.686 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](CNc2ncccn2)C1 ZINC001061028725 819245207 /nfs/dbraw/zinc/24/52/07/819245207.db2.gz IPKYPYABHVBCOT-QMMMGPOBSA-N -1 0 317.309 -0.353 20 0 DBADRM CCC(=O)NC[C@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001062286674 819464792 /nfs/dbraw/zinc/46/47/92/819464792.db2.gz JMVWUFULEJUFOM-MRVPVSSYSA-N -1 0 309.326 -0.196 20 0 DBADRM CCC(=O)NCC1(NC(=O)c2cnc([O-])n(C)c2=O)CCC1 ZINC001062367879 819473100 /nfs/dbraw/zinc/47/31/00/819473100.db2.gz FNBJPYDQNYREHD-UHFFFAOYSA-N -1 0 308.338 -0.335 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001062434862 819484461 /nfs/dbraw/zinc/48/44/61/819484461.db2.gz DOHKYUYPJCHBMI-YUMQZZPRSA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(NC(=O)C2CC2)CCC1 ZINC001063865274 819641663 /nfs/dbraw/zinc/64/16/63/819641663.db2.gz CLXQYAQPQXDLGX-UHFFFAOYSA-N -1 0 309.326 -0.746 20 0 DBADRM CN(CCCN(C)C(=O)C1CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001066579624 820019560 /nfs/dbraw/zinc/01/95/60/820019560.db2.gz NHYJUUGOJKVFTL-UHFFFAOYSA-N -1 0 311.342 -0.594 20 0 DBADRM CN(CCCN(C)C(=O)C(F)F)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001066574970 820019666 /nfs/dbraw/zinc/01/96/66/820019666.db2.gz XTBLOCQNEPEGPT-UHFFFAOYSA-N -1 0 321.284 -0.739 20 0 DBADRM CC(C)C(=O)N(C)CCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001066850114 820048100 /nfs/dbraw/zinc/04/81/00/820048100.db2.gz ZVJWYKAIZMAWTE-UHFFFAOYSA-N -1 0 311.342 -0.141 20 0 DBADRM CCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(C(C)=O)CC1 ZINC001069073374 820284946 /nfs/dbraw/zinc/28/49/46/820284946.db2.gz ZVVWCYXJTVVULK-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM CCC1(NC(C)=O)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001069495989 820297370 /nfs/dbraw/zinc/29/73/70/820297370.db2.gz JUTIHCJDUPDPCP-UHFFFAOYSA-N -1 0 309.326 -0.196 20 0 DBADRM CC(=O)N[C@H]1CCc2nnc(CNCc3n[nH]c(=O)[n-]3)n2CC1 ZINC001069842765 820309312 /nfs/dbraw/zinc/30/93/12/820309312.db2.gz PAOMCFQPBBDYBD-VIFPVBQESA-N -1 0 320.357 -0.767 20 0 DBADRM CC(=O)N1CCC[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001070338656 820447740 /nfs/dbraw/zinc/44/77/40/820447740.db2.gz KYMSGEAPAABGKW-SNVBAGLBSA-N -1 0 311.342 -0.403 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)Cn2cccn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071353765 820674750 /nfs/dbraw/zinc/67/47/50/820674750.db2.gz BYANZNBRGGDDEF-QWRGUYRKSA-N -1 0 319.369 -0.124 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)Cn2cccn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071353766 820674764 /nfs/dbraw/zinc/67/47/64/820674764.db2.gz BYANZNBRGGDDEF-WDEREUQCSA-N -1 0 319.369 -0.124 20 0 DBADRM CC(=O)N1C[C@H](C)[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001071426215 820681629 /nfs/dbraw/zinc/68/16/29/820681629.db2.gz UNUIDDZMQPGZNA-OIBJUYFYSA-N -1 0 309.326 -0.802 20 0 DBADRM CNC(=O)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CC[C@H]1C ZINC001071434312 820683447 /nfs/dbraw/zinc/68/34/47/820683447.db2.gz DZCNYOCPQRGJQY-SCZZXKLOSA-N -1 0 309.370 -0.248 20 0 DBADRM CNC(=O)CN1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])CC[C@@H]1C ZINC001071434313 820683693 /nfs/dbraw/zinc/68/36/93/820683693.db2.gz DZCNYOCPQRGJQY-WCBMZHEXSA-N -1 0 309.370 -0.248 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)Cn2nccn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071534939 820712170 /nfs/dbraw/zinc/71/21/70/820712170.db2.gz VYUDUKPJISSBSW-NXEZZACHSA-N -1 0 320.357 -0.729 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)Cn2nccn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071534940 820712530 /nfs/dbraw/zinc/71/25/30/820712530.db2.gz VYUDUKPJISSBSW-UWVGGRQHSA-N -1 0 320.357 -0.729 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071747334 820767428 /nfs/dbraw/zinc/76/74/28/820767428.db2.gz BREMKFLRQIXMTO-YFVNTRNASA-N -1 0 321.381 -0.128 20 0 DBADRM O=C(C1=COCCO1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072437529 820918649 /nfs/dbraw/zinc/91/86/49/820918649.db2.gz KNIGJDYCKMROIS-UHFFFAOYSA-N -1 0 321.337 -0.567 20 0 DBADRM O=C([C@@H]1CCCO1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072445345 820919799 /nfs/dbraw/zinc/91/97/99/820919799.db2.gz KBXKLEOBTYIPKK-JTQLQIEISA-N -1 0 307.354 -0.276 20 0 DBADRM CCCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001072452306 820923448 /nfs/dbraw/zinc/92/34/48/820923448.db2.gz AZZKDGGISFPRNH-HTQZYQBOSA-N -1 0 309.326 -0.340 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001072454617 820923522 /nfs/dbraw/zinc/92/35/22/820923522.db2.gz ZOUBAWPQQBVPGH-UFVYQPJESA-N -1 0 321.337 -0.174 20 0 DBADRM CCCC(=O)N[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001072496187 820932149 /nfs/dbraw/zinc/93/21/49/820932149.db2.gz PPXSUEGAAGTQFE-KOLCDFICSA-N -1 0 322.365 -0.137 20 0 DBADRM CCCC(=O)N[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC001072496189 820934058 /nfs/dbraw/zinc/93/40/58/820934058.db2.gz PPXSUEGAAGTQFE-ONGXEEELSA-N -1 0 322.365 -0.137 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3OCCN(CCCO)[C@H]3C2)c1[O-] ZINC001074219552 821311513 /nfs/dbraw/zinc/31/15/13/821311513.db2.gz QZXPZTXILRPTHM-NWDGAFQWSA-N -1 0 324.381 -0.279 20 0 DBADRM CC(C)=CC(=O)NCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001075494342 821525014 /nfs/dbraw/zinc/52/50/14/821525014.db2.gz ZQSLMEDAKPZQOM-QMMMGPOBSA-N -1 0 309.326 -0.126 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)C2=COCCO2)c1[O-] ZINC001075501257 821525702 /nfs/dbraw/zinc/52/57/02/821525702.db2.gz RSKIMOFOBBUUFJ-QMMMGPOBSA-N -1 0 324.337 -0.063 20 0 DBADRM CC[C@@H](OC)C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075606138 821554283 /nfs/dbraw/zinc/55/42/83/821554283.db2.gz GGOPZVGCJVWHFG-HBNTYKKESA-N -1 0 309.370 -0.032 20 0 DBADRM CC[C@H](OC)C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075606137 821554660 /nfs/dbraw/zinc/55/46/60/821554660.db2.gz GGOPZVGCJVWHFG-AXFHLTTASA-N -1 0 309.370 -0.032 20 0 DBADRM O=C(C[C@H]1CCOC1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075635301 821563107 /nfs/dbraw/zinc/56/31/07/821563107.db2.gz BGHOPDAAYCPRSL-GRYCIOLGSA-N -1 0 321.381 -0.030 20 0 DBADRM Cn1cnc(C(=O)N2CC[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)c1 ZINC001075687389 821571780 /nfs/dbraw/zinc/57/17/80/821571780.db2.gz MAQLFIJXHUUBLF-GXSJLCMTSA-N -1 0 317.353 -0.410 20 0 DBADRM CC(C)(O)CC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075742217 821587056 /nfs/dbraw/zinc/58/70/56/821587056.db2.gz ODOAXWKIGHBUAC-VHSXEESVSA-N -1 0 309.370 -0.296 20 0 DBADRM C[C@@H](CCNC(=O)c1cocn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001075925713 821625910 /nfs/dbraw/zinc/62/59/10/821625910.db2.gz AIRIMIXHSMIONX-ZETCQYMHSA-N -1 0 324.297 -0.998 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)Cn2ccnc2)c1[O-] ZINC001076166155 821676894 /nfs/dbraw/zinc/67/68/94/821676894.db2.gz BRQGKNATHATNLL-VIFPVBQESA-N -1 0 320.353 -0.055 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)c2cnnn2C)c1[O-] ZINC001076165724 821677077 /nfs/dbraw/zinc/67/70/77/821677077.db2.gz MNMQJIGXQYGNPU-ZETCQYMHSA-N -1 0 321.341 -0.509 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CCNC2=O)c1[O-] ZINC001076167073 821678132 /nfs/dbraw/zinc/67/81/32/821678132.db2.gz YSPIOKMDGLXFND-IONNQARKSA-N -1 0 323.353 -0.816 20 0 DBADRM O=C(Cc1cnc[nH]1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076295462 821713279 /nfs/dbraw/zinc/71/32/79/821713279.db2.gz MBTWBECNIFIOLP-GXSJLCMTSA-N -1 0 317.353 -0.491 20 0 DBADRM O=C(Cc1ncc[nH]1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076403182 821743561 /nfs/dbraw/zinc/74/35/61/821743561.db2.gz NKHAYXZJMXECGC-VHSXEESVSA-N -1 0 317.353 -0.491 20 0 DBADRM CCC(=O)N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1O ZINC001076653376 821794673 /nfs/dbraw/zinc/79/46/73/821794673.db2.gz KWSMCEBCRWPHAA-GHMZBOCLSA-N -1 0 305.338 -0.906 20 0 DBADRM Cc1cscc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076856698 821892866 /nfs/dbraw/zinc/89/28/66/821892866.db2.gz CPJKQWJGPKARMI-NXEZZACHSA-N -1 0 323.378 -0.145 20 0 DBADRM Cc1cc(C)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)o1 ZINC001076856969 821893020 /nfs/dbraw/zinc/89/30/20/821893020.db2.gz ILJFUMFNBLVDNT-NXEZZACHSA-N -1 0 321.337 -0.305 20 0 DBADRM Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)co1 ZINC001076890030 821906845 /nfs/dbraw/zinc/90/68/45/821906845.db2.gz GBVDMULWXYRJSG-GHMZBOCLSA-N -1 0 321.337 -0.305 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cnoc3C)C[C@H]2O)c1[O-] ZINC001076889984 821907219 /nfs/dbraw/zinc/90/72/19/821907219.db2.gz CQUXEVGPRYZWAV-GHMZBOCLSA-N -1 0 321.337 -0.305 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cnn(C)c3)C[C@H]2O)c1[O-] ZINC001076889997 821907491 /nfs/dbraw/zinc/90/74/91/821907491.db2.gz DFUVKECZEKSLLM-GHMZBOCLSA-N -1 0 320.353 -0.868 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nonc3C)C[C@H]2O)c1[O-] ZINC001076890360 821908158 /nfs/dbraw/zinc/90/81/58/821908158.db2.gz WOXBCHUTTUZXCL-NXEZZACHSA-N -1 0 322.325 -0.910 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nncs3)C[C@H]2O)c1[O-] ZINC001076891767 821909706 /nfs/dbraw/zinc/90/97/06/821909706.db2.gz BLMBBHANBHANQP-HTQZYQBOSA-N -1 0 324.366 -0.750 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cnns3)C[C@H]2O)c1[O-] ZINC001076892942 821910982 /nfs/dbraw/zinc/91/09/82/821910982.db2.gz XFZAQTSXGNGYOP-RKDXNWHRSA-N -1 0 324.366 -0.750 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccc(F)cn1 ZINC001076913342 821920011 /nfs/dbraw/zinc/92/00/11/821920011.db2.gz VOOZHDNFNCKNRT-NXEZZACHSA-N -1 0 322.300 -0.981 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001077542762 822146159 /nfs/dbraw/zinc/14/61/59/822146159.db2.gz POLWHJQMVJYDAL-ZKKRXERASA-N -1 0 307.354 -0.782 20 0 DBADRM CC1(C)CC[C@@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)C1 ZINC001077641104 822176125 /nfs/dbraw/zinc/17/61/25/822176125.db2.gz YKICUAXXYCYGJE-GMTAPVOTSA-N -1 0 323.397 -0.002 20 0 DBADRM Cc1ccoc1CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077645387 822177796 /nfs/dbraw/zinc/17/77/96/822177796.db2.gz DOURAIDJSKOCCB-NXEZZACHSA-N -1 0 321.337 -0.684 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1cocn1 ZINC001077679965 822186826 /nfs/dbraw/zinc/18/68/26/822186826.db2.gz LDUJKVKXSKRMAK-ZETCQYMHSA-N -1 0 324.297 -0.998 20 0 DBADRM CCCC(=O)N[C@@H](C)CCNC(=O)c1cnc([O-])n(C)c1=O ZINC001077709562 822198581 /nfs/dbraw/zinc/19/85/81/822198581.db2.gz ORHHNTBJKBFFPS-VIFPVBQESA-N -1 0 310.354 -0.089 20 0 DBADRM C[C@@H](CCNC(=O)[C@H]1C[C@@H]1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077861093 822248546 /nfs/dbraw/zinc/24/85/46/822248546.db2.gz RBJJDVJEWPLKAO-CIUDSAMLSA-N -1 0 311.342 -0.644 20 0 DBADRM O=C(CCCn1ccnn1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001112956207 828439470 /nfs/dbraw/zinc/43/94/70/828439470.db2.gz CGOKWJLSUDGMER-UHFFFAOYSA-N -1 0 320.357 -0.774 20 0 DBADRM COCCN1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001113041502 828452476 /nfs/dbraw/zinc/45/24/76/828452476.db2.gz AIICKBBISRSWBJ-UHFFFAOYSA-N -1 0 313.358 -0.740 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(CCOCC2CC2)CC1 ZINC001113071336 828455902 /nfs/dbraw/zinc/45/59/02/828455902.db2.gz QYXCLYPWEGBTMG-UHFFFAOYSA-N -1 0 323.353 -0.533 20 0 DBADRM Cc1ccnc(N[C@H](C)[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001113110158 828458937 /nfs/dbraw/zinc/45/89/37/828458937.db2.gz NPSVOIFPTZYICW-RKDXNWHRSA-N -1 0 321.341 -0.207 20 0 DBADRM Cc1nccc(N[C@H](C)[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001113109829 828459272 /nfs/dbraw/zinc/45/92/72/828459272.db2.gz ITURXBDAEDSPPD-SFYZADRCSA-N -1 0 321.341 -0.207 20 0 DBADRM NC(=O)CCCCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113518555 828510326 /nfs/dbraw/zinc/51/03/26/828510326.db2.gz QRMNUNHYTFJHHB-UHFFFAOYSA-N -1 0 310.358 -0.800 20 0 DBADRM CC[C@@H](C)C(=O)NCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113642149 828532150 /nfs/dbraw/zinc/53/21/50/828532150.db2.gz ZUFSWGXSMUNWLO-SNVBAGLBSA-N -1 0 324.385 -0.683 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)c1cccc(F)n1 ZINC001113682348 828538204 /nfs/dbraw/zinc/53/82/04/828538204.db2.gz XTOHOHANBUXGHG-QMMMGPOBSA-N -1 0 324.316 -0.136 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)c1ncccn1 ZINC001113681717 828538210 /nfs/dbraw/zinc/53/82/10/828538210.db2.gz GKLKTRGARKPXOR-MRVPVSSYSA-N -1 0 307.314 -0.880 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)Cc2nc[nH]n2)c1[O-] ZINC001078594875 823808956 /nfs/dbraw/zinc/80/89/56/823808956.db2.gz PXYDBRWOBLQBGW-ZETCQYMHSA-N -1 0 321.341 -0.591 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnn(C)c1 ZINC001079403572 823882617 /nfs/dbraw/zinc/88/26/17/823882617.db2.gz LIDBEXGJCYCLPV-PSASIEDQSA-N -1 0 305.342 -0.506 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)[nH]n1 ZINC001079460950 823891746 /nfs/dbraw/zinc/89/17/46/823891746.db2.gz LEXSGQWRASYZLH-GMSGAONNSA-N -1 0 305.342 -0.208 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1cnn(C)c1 ZINC001079474748 823894007 /nfs/dbraw/zinc/89/40/07/823894007.db2.gz PECGICWYHUJZPR-MWLCHTKSSA-N -1 0 319.369 -0.577 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@H]2C)c1[O-] ZINC001079579566 823917735 /nfs/dbraw/zinc/91/77/35/823917735.db2.gz OHBWYVXYSFREFZ-SZEHBUNVSA-N -1 0 307.354 -0.638 20 0 DBADRM C/C=C(/C)C(=O)N(CC)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001079580762 823919947 /nfs/dbraw/zinc/91/99/47/823919947.db2.gz WRFKJNSCQXFXPG-WTKPLQERSA-N -1 0 323.353 -0.285 20 0 DBADRM COc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)on1 ZINC001079603877 823922092 /nfs/dbraw/zinc/92/20/92/823922092.db2.gz ZNVWEPBEGCELBX-HTQZYQBOSA-N -1 0 322.325 -0.243 20 0 DBADRM Cc1nnccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001080051588 823997498 /nfs/dbraw/zinc/99/74/98/823997498.db2.gz XPALQFWFUHXYLQ-LDYMZIIASA-N -1 0 317.353 -0.141 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)c1cnc(F)cn1 ZINC001113967724 828597524 /nfs/dbraw/zinc/59/75/24/828597524.db2.gz KMMNYNAVBZUHPA-LURJTMIESA-N -1 0 323.288 -0.533 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@]1(F)CCOC1 ZINC001080326461 824028896 /nfs/dbraw/zinc/02/88/96/824028896.db2.gz FYXZWTRKSKDVEX-JRKPZEMJSA-N -1 0 313.333 -0.425 20 0 DBADRM Cc1nonc1CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001080697507 824082041 /nfs/dbraw/zinc/08/20/41/824082041.db2.gz FZVQKSKZOZFAPO-GMSGAONNSA-N -1 0 321.341 -0.619 20 0 DBADRM Cc1nccn1CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001080947579 824113753 /nfs/dbraw/zinc/11/37/53/824113753.db2.gz CSWJWIWQSZFPFE-MWLCHTKSSA-N -1 0 319.369 -0.348 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cn1ccnc1 ZINC001081037045 824123556 /nfs/dbraw/zinc/12/35/56/824123556.db2.gz QHSFLRVVUACKLO-NXEZZACHSA-N -1 0 305.342 -0.657 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccco1 ZINC001081288950 824191977 /nfs/dbraw/zinc/19/19/77/824191977.db2.gz MVDBDDKZNBTNCG-PSASIEDQSA-N -1 0 307.310 -0.268 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC001081548908 824291837 /nfs/dbraw/zinc/29/18/37/824291837.db2.gz YHRRWRRGMBKMEX-IVZWLZJFSA-N -1 0 309.370 -0.128 20 0 DBADRM CC(C)(C)OCC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114165388 828639978 /nfs/dbraw/zinc/63/99/78/828639978.db2.gz GRWWXJIDXVAAKZ-GDGBQDQQSA-N -1 0 309.370 -0.128 20 0 DBADRM CC[C@@H](C)OCC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114154081 828635622 /nfs/dbraw/zinc/63/56/22/828635622.db2.gz TZSMJNBOMQGWMX-DNJQJEMRSA-N -1 0 309.370 -0.128 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cc(F)c[nH]1 ZINC001081956444 824381566 /nfs/dbraw/zinc/38/15/66/824381566.db2.gz YMQFTCFHKDPWHS-NXEZZACHSA-N -1 0 324.316 -0.393 20 0 DBADRM CC(F)(F)C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001082976317 824474738 /nfs/dbraw/zinc/47/47/38/824474738.db2.gz GPBRSJALYKULKE-JGVFFNPUSA-N -1 0 317.296 -0.423 20 0 DBADRM O=C([C@@H]1CCCO1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001082991211 824476750 /nfs/dbraw/zinc/47/67/50/824476750.db2.gz FTXKLWZRGFQZQU-GARJFASQSA-N -1 0 323.353 -0.899 20 0 DBADRM CSCC(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001082991806 824477245 /nfs/dbraw/zinc/47/72/45/824477245.db2.gz AETFRZWUWBYKSB-DTWKUNHWSA-N -1 0 313.383 -0.715 20 0 DBADRM O=C(c1ccoc1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083000149 824477929 /nfs/dbraw/zinc/47/79/29/824477929.db2.gz XSAQLDHWDWFPHB-WDEREUQCSA-N -1 0 319.321 -0.171 20 0 DBADRM CC1CC(C(=O)N2CCO[C@@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@@H]32)C1 ZINC001083047340 824487591 /nfs/dbraw/zinc/48/75/91/824487591.db2.gz XCBQPJZLOTWMLI-MMVSWEMESA-N -1 0 321.381 -0.032 20 0 DBADRM CC1(C)C[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083053989 824487916 /nfs/dbraw/zinc/48/79/16/824487916.db2.gz RRUXBFFAWBXCRH-GARJFASQSA-N -1 0 321.381 -0.032 20 0 DBADRM CC[C@@H](F)C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083164952 824509612 /nfs/dbraw/zinc/50/96/12/824509612.db2.gz ITSPHSXRHHYUNG-KXUCPTDWSA-N -1 0 313.333 -0.330 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cccs1 ZINC001083319621 824541797 /nfs/dbraw/zinc/54/17/97/824541797.db2.gz ZFJLHYMRODFYLZ-SFYZADRCSA-N -1 0 309.351 -0.453 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)o1 ZINC001083325673 824545029 /nfs/dbraw/zinc/54/50/29/824545029.db2.gz UWQVBKISYYXLPJ-BDAKNGLRSA-N -1 0 307.310 -0.613 20 0 DBADRM O=C(CC1(O)CCC1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114249666 828663632 /nfs/dbraw/zinc/66/36/32/828663632.db2.gz HEBVOLGAIJMGFD-GDGBQDQQSA-N -1 0 307.354 -0.638 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccn(C)n3)C[C@@H]2O)c1[O-] ZINC001083410808 824607157 /nfs/dbraw/zinc/60/71/57/824607157.db2.gz VRKMSSCDDNWOKT-MNOVXSKESA-N -1 0 320.353 -0.868 20 0 DBADRM CCc1occc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083436785 824622825 /nfs/dbraw/zinc/62/28/25/824622825.db2.gz KZUHJMNOULHGCH-ZJUUUORDSA-N -1 0 321.337 -0.359 20 0 DBADRM Cc1cc[nH]c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083438178 824623880 /nfs/dbraw/zinc/62/38/80/824623880.db2.gz XFPQTNZKADLNHN-BDAKNGLRSA-N -1 0 306.326 -0.878 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@]12C[C@H]1CCC2 ZINC001083656109 824714645 /nfs/dbraw/zinc/71/46/45/824714645.db2.gz BMMITQIWZADPQK-DLVJRCHESA-N -1 0 307.354 -0.638 20 0 DBADRM C[C@]1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C=CCC1 ZINC001083706428 824740130 /nfs/dbraw/zinc/74/01/30/824740130.db2.gz ALOPWFKCIXDOTH-BFVZDQMLSA-N -1 0 307.354 -0.472 20 0 DBADRM CC1(C)CC[C@@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C1 ZINC001083757870 824762351 /nfs/dbraw/zinc/76/23/51/824762351.db2.gz YKICUAXXYCYGJE-MXWKQRLJSA-N -1 0 323.397 -0.002 20 0 DBADRM Cc1ccoc1CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083763834 824765362 /nfs/dbraw/zinc/76/53/62/824765362.db2.gz DOURAIDJSKOCCB-ZJUUUORDSA-N -1 0 321.337 -0.684 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ncccc1F ZINC001083890116 824812255 /nfs/dbraw/zinc/81/22/55/824812255.db2.gz QFGYHHFBPZGPDS-BDAKNGLRSA-N -1 0 322.300 -0.981 20 0 DBADRM CC(C)(O)CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084313870 824922825 /nfs/dbraw/zinc/92/28/25/824922825.db2.gz QEVXXHAMQLZPQX-NXEZZACHSA-N -1 0 309.370 -0.296 20 0 DBADRM O=C(c1csnn1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084554139 824948115 /nfs/dbraw/zinc/94/81/15/824948115.db2.gz INJUSSSFKIXXJX-VXNVDRBHSA-N -1 0 321.366 -0.292 20 0 DBADRM O=C(c1ccnnc1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084681508 824963997 /nfs/dbraw/zinc/96/39/97/824963997.db2.gz NEWWPVNRYZLZEM-GHMZBOCLSA-N -1 0 315.337 -0.353 20 0 DBADRM O=C(Cn1ccnc1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084866255 824987953 /nfs/dbraw/zinc/98/79/53/824987953.db2.gz JCELQFSKJUSOMC-GHMZBOCLSA-N -1 0 317.353 -0.560 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ccc(=O)[nH]n1 ZINC001085472643 825022122 /nfs/dbraw/zinc/02/21/22/825022122.db2.gz QZAHWWHMKIZPNR-MRVPVSSYSA-N -1 0 319.325 -0.648 20 0 DBADRM CNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001085543566 825037611 /nfs/dbraw/zinc/03/76/11/825037611.db2.gz ADOCQFSMJKVWQW-VHSXEESVSA-N -1 0 309.370 -0.295 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001085542558 825038287 /nfs/dbraw/zinc/03/82/87/825038287.db2.gz AJSJQLQOCSVJTR-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCNC(=O)C1 ZINC001085543692 825039025 /nfs/dbraw/zinc/03/90/25/825039025.db2.gz CMMYLDDVFWMMFM-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM CCC[C@@H](OC)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114671741 828725811 /nfs/dbraw/zinc/72/58/11/828725811.db2.gz IZPBARNKJTXBJH-KLBPJQLPSA-N -1 0 309.370 -0.128 20 0 DBADRM CC[C@@H](C(N)=O)N1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001085544665 825039827 /nfs/dbraw/zinc/03/98/27/825039827.db2.gz VBOISUYKQHOQLU-ZJUUUORDSA-N -1 0 309.370 -0.166 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2[C@@H]2CCNC2=O)c1[O-] ZINC001085549858 825042406 /nfs/dbraw/zinc/04/24/06/825042406.db2.gz FPZPVTIEFCHHHT-VHSXEESVSA-N -1 0 307.354 -0.541 20 0 DBADRM CCn1nncc1C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085581877 825054969 /nfs/dbraw/zinc/05/49/69/825054969.db2.gz WDNQZYXKCYIFDZ-VIFPVBQESA-N -1 0 320.357 -0.532 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001085626658 825066006 /nfs/dbraw/zinc/06/60/06/825066006.db2.gz QQYAJZURBRHYKW-ZJUUUORDSA-N -1 0 322.369 -0.979 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cn[nH]c(=O)c1 ZINC001085657636 825075295 /nfs/dbraw/zinc/07/52/95/825075295.db2.gz WMPOVMKNIYGDLP-SECBINFHSA-N -1 0 319.325 -0.648 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCC(=O)N1C ZINC001085767474 825104420 /nfs/dbraw/zinc/10/44/20/825104420.db2.gz JSODTEJGVOOWJF-UWVGGRQHSA-N -1 0 322.369 -0.836 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001085769161 825104930 /nfs/dbraw/zinc/10/49/30/825104930.db2.gz BVQQUCMFAJKFAE-UXCLJVHYSA-N -1 0 307.354 -0.565 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ccc(=O)[nH]c1 ZINC001085957763 825144715 /nfs/dbraw/zinc/14/47/15/825144715.db2.gz JFADOFBJIMMLRU-SNVBAGLBSA-N -1 0 318.337 -0.043 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](NCc3nnn(C)n3)C2)c1[O-] ZINC001086062848 825168821 /nfs/dbraw/zinc/16/88/21/825168821.db2.gz NPPLJHUGVUHNGV-DTORHVGOSA-N -1 0 320.357 -0.755 20 0 DBADRM O=C(NC[C@H]1C[C@H](NCc2ccon2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001086418150 825255509 /nfs/dbraw/zinc/25/55/09/825255509.db2.gz CHTGCGKSICLSMA-XWEPSHTISA-N -1 0 320.309 -0.431 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087563546 825341815 /nfs/dbraw/zinc/34/18/15/825341815.db2.gz BRRLIDHHMFHBBQ-DTWKUNHWSA-N -1 0 320.357 -0.578 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087685556 825350944 /nfs/dbraw/zinc/35/09/44/825350944.db2.gz SEHXFMPXKIJHDE-KXUCPTDWSA-N -1 0 322.369 -0.885 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087774732 825361705 /nfs/dbraw/zinc/36/17/05/825361705.db2.gz HUCRHVSKRKIDKY-VHSXEESVSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cc[n+]([O-])cc2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088456374 825423333 /nfs/dbraw/zinc/42/33/33/825423333.db2.gz OAFFGKGPFVOUNA-KOLCDFICSA-N -1 0 318.337 -0.464 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)N3CCC3)[C@@H]2C)c1[O-] ZINC001088525576 825433267 /nfs/dbraw/zinc/43/32/67/825433267.db2.gz DLKXEXMBBMFGPA-MNOVXSKESA-N -1 0 321.381 -0.151 20 0 DBADRM COc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)on1 ZINC001088534507 825434132 /nfs/dbraw/zinc/43/41/32/825434132.db2.gz XBNOXUHCGCWFJZ-SFYZADRCSA-N -1 0 322.325 -0.100 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cc2cncnc2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088544364 825435359 /nfs/dbraw/zinc/43/53/59/825435359.db2.gz AHZCIIMTKDRGOK-KOLCDFICSA-N -1 0 317.353 -0.378 20 0 DBADRM COC[C@@H](C)CC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001115053485 828781199 /nfs/dbraw/zinc/78/11/99/828781199.db2.gz PNNSPXDCSIXVGN-QISWUMQESA-N -1 0 309.370 -0.271 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001088562607 825440811 /nfs/dbraw/zinc/44/08/11/825440811.db2.gz FMADFVRFLXRCRY-ZJUUUORDSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1cncn1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001088750607 825456153 /nfs/dbraw/zinc/45/61/53/825456153.db2.gz WSNBNJXZKAOLQE-MNOVXSKESA-N -1 0 319.369 -0.206 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088812029 825463951 /nfs/dbraw/zinc/46/39/51/825463951.db2.gz IMXGADRAAVRLIG-KXUCPTDWSA-N -1 0 322.369 -0.790 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@]2(F)CCOC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088816921 825463978 /nfs/dbraw/zinc/46/39/78/825463978.db2.gz UTMIDJUMEGVENS-ZDMBXUJBSA-N -1 0 313.333 -0.282 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C[C@H]2CCC(=O)N2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088916010 825475178 /nfs/dbraw/zinc/47/51/78/825475178.db2.gz CLVPKGSNCJRJBA-BBBLOLIVSA-N -1 0 322.369 -0.742 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cccnn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088936210 825476945 /nfs/dbraw/zinc/47/69/45/825476945.db2.gz XXIDVLYJAVUBTN-BDAKNGLRSA-N -1 0 303.326 -0.307 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC001089194629 825494992 /nfs/dbraw/zinc/49/49/92/825494992.db2.gz ORALHGUSBYNJBJ-VIFPVBQESA-N -1 0 320.357 -0.245 20 0 DBADRM C[C@H](C[C@H](C)Nc1ncccn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001089359832 825499511 /nfs/dbraw/zinc/49/95/11/825499511.db2.gz TWIKOIHIBGIUGW-BDAKNGLRSA-N -1 0 321.341 -0.125 20 0 DBADRM CCN(c1ncccn1)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001089775705 825524708 /nfs/dbraw/zinc/52/47/08/825524708.db2.gz QUDCMCKMVGBJTL-MRVPVSSYSA-N -1 0 319.325 -0.282 20 0 DBADRM CC(=O)N[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1O ZINC001089975078 825535408 /nfs/dbraw/zinc/53/54/08/825535408.db2.gz DKONZWNTVZWZBP-NWDGAFQWSA-N -1 0 305.338 -0.906 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCCC1 ZINC001090007254 825543573 /nfs/dbraw/zinc/54/35/73/825543573.db2.gz QKIQCDZJLXWDIW-QWRGUYRKSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CCCC1 ZINC001090007255 825544347 /nfs/dbraw/zinc/54/43/47/825544347.db2.gz QKIQCDZJLXWDIW-WDEREUQCSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccc[nH]1 ZINC001090077297 825558918 /nfs/dbraw/zinc/55/89/18/825558918.db2.gz QQAWXSRRDRDSOM-SCZZXKLOSA-N -1 0 306.326 -0.796 20 0 DBADRM Cn1cccc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090095665 825563293 /nfs/dbraw/zinc/56/32/93/825563293.db2.gz ZLAMQDQDGVKHQU-ONGXEEELSA-N -1 0 320.353 -0.786 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cncs1 ZINC001090111595 825571792 /nfs/dbraw/zinc/57/17/92/825571792.db2.gz COFGIZNAAVOEMK-SFYZADRCSA-N -1 0 324.366 -0.668 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)co1 ZINC001090225869 825602436 /nfs/dbraw/zinc/60/24/36/825602436.db2.gz QOJNPAYZEZPRJI-QWRGUYRKSA-N -1 0 321.337 -0.223 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc(F)c[nH]1 ZINC001090439934 825697440 /nfs/dbraw/zinc/69/74/40/825697440.db2.gz YPKWYYLOHXHIPC-SCZZXKLOSA-N -1 0 324.316 -0.657 20 0 DBADRM CC1(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CCC1 ZINC001090494461 825719759 /nfs/dbraw/zinc/71/97/59/825719759.db2.gz YPQOGBFFZXISAF-NXEZZACHSA-N -1 0 309.370 -0.248 20 0 DBADRM CC(C)(C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC1 ZINC001090507513 825725862 /nfs/dbraw/zinc/72/58/62/825725862.db2.gz ODFLWJQZRZIQLJ-WDEREUQCSA-N -1 0 323.397 -0.002 20 0 DBADRM CC1(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CC=CC1 ZINC001090550176 825745554 /nfs/dbraw/zinc/74/55/54/825745554.db2.gz OGMXAWBYRJAIAQ-MNOVXSKESA-N -1 0 321.381 -0.082 20 0 DBADRM O=C(N[C@@H]1CCN(CCF)C[C@@H]1O)c1c[n-]n2c1nccc2=O ZINC001090631901 825769880 /nfs/dbraw/zinc/76/98/80/825769880.db2.gz XUXAQCGJJGVYRN-MNOVXSKESA-N -1 0 323.328 -0.843 20 0 DBADRM O=C(Cc1ccc[nH]1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090823431 825859077 /nfs/dbraw/zinc/85/90/77/825859077.db2.gz JPVJLSUCMGQWQU-MNOVXSKESA-N -1 0 320.353 -0.868 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)[N-]OCc1ccccn1 ZINC001161223539 832992040 /nfs/dbraw/zinc/99/20/40/832992040.db2.gz BQJZOFNIYXRMJZ-UHFFFAOYSA-N -1 0 317.367 -0.415 20 0 DBADRM CO[C@@H](C)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001091520309 825965325 /nfs/dbraw/zinc/96/53/25/825965325.db2.gz KQACUAHLKYGMPU-RBZYPMLTSA-N -1 0 309.370 -0.175 20 0 DBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)c1cn[nH]n1)C2 ZINC001091811781 825983129 /nfs/dbraw/zinc/98/31/29/825983129.db2.gz NDMZKOSLWQQIDO-OQPBUACISA-N -1 0 318.341 -0.778 20 0 DBADRM Cn1c(=O)oc2cc(NC(=O)Cn3c(=O)[n-][nH]c3=O)c(F)cc21 ZINC001161236852 832993134 /nfs/dbraw/zinc/99/31/34/832993134.db2.gz AMLOKHGEJZXUDI-UHFFFAOYSA-N -1 0 323.240 -0.088 20 0 DBADRM COc1cc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)on1 ZINC001273975645 832997478 /nfs/dbraw/zinc/99/74/78/832997478.db2.gz UXYMLOJAWDIGRU-IHWYPQMZSA-N -1 0 308.298 -0.417 20 0 DBADRM COc1cc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)ncn1 ZINC001274038649 833009771 /nfs/dbraw/zinc/00/97/71/833009771.db2.gz WYUYTBGRWMEFKV-IHWYPQMZSA-N -1 0 319.325 -0.615 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNc2ncnc3c2cnn3C)c1[O-] ZINC001093585607 826145846 /nfs/dbraw/zinc/14/58/46/826145846.db2.gz PDVWBBPBNPCEKJ-UHFFFAOYSA-N -1 0 316.325 -0.058 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNc2ncnc3c2ncn3C)c1[O-] ZINC001093585384 826145869 /nfs/dbraw/zinc/14/58/69/826145869.db2.gz JSTGXELUASYRQL-UHFFFAOYSA-N -1 0 316.325 -0.058 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNc2ncnc3nc[nH]c32)c1[O-] ZINC001093585765 826146018 /nfs/dbraw/zinc/14/60/18/826146018.db2.gz WXCGEIFGOFPAOA-UHFFFAOYSA-N -1 0 302.298 -0.116 20 0 DBADRM CCOc1cc(NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001093777722 826167696 /nfs/dbraw/zinc/16/76/96/826167696.db2.gz QUCHPNOYVRHAPV-UHFFFAOYSA-N -1 0 323.313 -0.894 20 0 DBADRM Cc1ccnc(NCCNC(=O)CCCn2c(=O)[n-][nH]c2=O)n1 ZINC001093962231 826182862 /nfs/dbraw/zinc/18/28/62/826182862.db2.gz HWBMBPDRSWSXBY-UHFFFAOYSA-N -1 0 321.341 -0.204 20 0 DBADRM CCc1nsc(NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001094253246 826210756 /nfs/dbraw/zinc/21/07/56/826210756.db2.gz HTRHAIWYEKVKLX-UHFFFAOYSA-N -1 0 311.327 -0.461 20 0 DBADRM CSc1ccnc(NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001094253750 826211287 /nfs/dbraw/zinc/21/12/87/826211287.db2.gz XFMVGZYBCHPPTL-UHFFFAOYSA-N -1 0 323.338 -0.363 20 0 DBADRM Cc1nccc(NCCNC(=O)CCc2n[nH]c(=O)[n-]c2=O)n1 ZINC001094256674 826211794 /nfs/dbraw/zinc/21/17/94/826211794.db2.gz CVQPLILJRJPFNK-UHFFFAOYSA-N -1 0 319.325 -0.458 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCNc1ncccn1 ZINC001094256955 826211926 /nfs/dbraw/zinc/21/19/26/826211926.db2.gz VGPIHUCRQGUMKL-UHFFFAOYSA-N -1 0 305.298 -0.766 20 0 DBADRM COc1ccnc(NCCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001094527412 826246573 /nfs/dbraw/zinc/24/65/73/826246573.db2.gz HBBONBXAQJNURV-UHFFFAOYSA-N -1 0 323.313 -0.894 20 0 DBADRM O=C(NCCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1nnc[nH]1 ZINC001161497380 833026933 /nfs/dbraw/zinc/02/69/33/833026933.db2.gz YULKTQCTOKNOKD-UHFFFAOYSA-N -1 0 318.341 -0.419 20 0 DBADRM Cc1nsc(NCCCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001094697421 826259966 /nfs/dbraw/zinc/25/99/66/826259966.db2.gz JCRZUGGOLAVZEX-UHFFFAOYSA-N -1 0 324.366 -0.122 20 0 DBADRM O=C(Cn1cccn1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001095179447 826311499 /nfs/dbraw/zinc/31/14/99/826311499.db2.gz LZRZFQCFWDUQEZ-VWYCJHECSA-N -1 0 317.353 -0.372 20 0 DBADRM O=C(Cc1cc[nH]n1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001095260337 826315251 /nfs/dbraw/zinc/31/52/51/826315251.db2.gz VFHIVQFCTWLSAY-VWYCJHECSA-N -1 0 317.353 -0.302 20 0 DBADRM Cc1nccc(N(C)CCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001095606577 826334801 /nfs/dbraw/zinc/33/48/01/826334801.db2.gz SPPLGMMOPUQYOF-UHFFFAOYSA-N -1 0 321.341 -0.570 20 0 DBADRM Cc1ccnc(N(C)CCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001095606612 826335043 /nfs/dbraw/zinc/33/50/43/826335043.db2.gz UZHHLFIOXPCAPU-UHFFFAOYSA-N -1 0 321.341 -0.570 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)cn1 ZINC001096786718 826397387 /nfs/dbraw/zinc/39/73/87/826397387.db2.gz ASEUPUZBCGOZIA-MXWKQRLJSA-N -1 0 317.353 -0.221 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1ccn[nH]1 ZINC001096829465 826399544 /nfs/dbraw/zinc/39/95/44/826399544.db2.gz STGVHEXJGKTDOH-QNSHHTMESA-N -1 0 303.326 -0.231 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cnon1 ZINC001098071736 826448594 /nfs/dbraw/zinc/44/85/94/826448594.db2.gz JDUGQBGOTWMVEI-BHNWBGBOSA-N -1 0 305.298 -0.571 20 0 DBADRM Cc1ccc(N[C@H](C)CNC(=O)c2cnc([O-])n(C)c2=O)nn1 ZINC001098178454 826452920 /nfs/dbraw/zinc/45/29/20/826452920.db2.gz MBISIEJIBDZZOO-SECBINFHSA-N -1 0 318.337 -0.185 20 0 DBADRM Cc1ccnc(N[C@@H](C)CNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001098178659 826453418 /nfs/dbraw/zinc/45/34/18/826453418.db2.gz RCQMFDUCEHMSFK-VIFPVBQESA-N -1 0 318.337 -0.185 20 0 DBADRM Cc1ccc(N[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001098435075 826482527 /nfs/dbraw/zinc/48/25/27/826482527.db2.gz GSFFKACDOZTEBO-SSDOTTSWSA-N -1 0 305.298 -0.388 20 0 DBADRM Cc1ncc(C)c(N[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001098435424 826482553 /nfs/dbraw/zinc/48/25/53/826482553.db2.gz NCNMGEHKTFHVJS-ZETCQYMHSA-N -1 0 319.325 -0.080 20 0 DBADRM Cc1ccnc(N[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001098435826 826482727 /nfs/dbraw/zinc/48/27/27/826482727.db2.gz SICTYPZNAQHQEO-ZETCQYMHSA-N -1 0 305.298 -0.388 20 0 DBADRM Cc1nc(C)c(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)[nH]1 ZINC001274369492 833069352 /nfs/dbraw/zinc/06/93/52/833069352.db2.gz QOIJKEPNTWLGCX-ONEGZZNKSA-N -1 0 305.342 -0.074 20 0 DBADRM Cc1ccnc(N[C@H](C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001099361959 826565123 /nfs/dbraw/zinc/56/51/23/826565123.db2.gz OEHZVLUBYLIAIH-MRVPVSSYSA-N -1 0 321.341 -0.205 20 0 DBADRM Cc1c[nH]c(C(=O)NCC=CCNCc2nc(=O)n(C)[nH]2)n1 ZINC001274429781 833075671 /nfs/dbraw/zinc/07/56/71/833075671.db2.gz GPPZGXGVYDCEAD-ONEGZZNKSA-N -1 0 305.342 -0.784 20 0 DBADRM CSCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099656691 826606867 /nfs/dbraw/zinc/60/68/67/826606867.db2.gz ITRCXZTZDHLMEH-IUCAKERBSA-N -1 0 315.399 -0.685 20 0 DBADRM CC(C)(C)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099681444 826616687 /nfs/dbraw/zinc/61/66/87/826616687.db2.gz QJUKLPVNLCXOQY-VHSXEESVSA-N -1 0 311.386 -0.002 20 0 DBADRM CCC(CC)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099695990 826621434 /nfs/dbraw/zinc/62/14/34/826621434.db2.gz RAJVDFRUWAVLAO-MNOVXSKESA-N -1 0 311.386 -0.002 20 0 DBADRM O=C(CC(F)(F)F)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099720321 826633644 /nfs/dbraw/zinc/63/36/44/826633644.db2.gz BPZVRLKGUBWYRB-RNFRBKRXSA-N -1 0 323.275 -0.486 20 0 DBADRM O=C(/C=C/C1CC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099768553 826659874 /nfs/dbraw/zinc/65/98/74/826659874.db2.gz FMFLPZXFUYTUHV-YIZUVKHSSA-N -1 0 307.354 -0.472 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1nccnc1F ZINC001099788305 826666962 /nfs/dbraw/zinc/66/69/62/826666962.db2.gz KHAFCBXHKMRHLV-ZCFIWIBFSA-N -1 0 323.288 -0.168 20 0 DBADRM CCc1nc[nH]c1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001274545425 833094947 /nfs/dbraw/zinc/09/49/47/833094947.db2.gz WDVNAKIZDBREAG-ARJAWSKDSA-N -1 0 305.342 -0.128 20 0 DBADRM CCc1nc[nH]c1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001274545426 833094903 /nfs/dbraw/zinc/09/49/03/833094903.db2.gz WDVNAKIZDBREAG-ONEGZZNKSA-N -1 0 305.342 -0.128 20 0 DBADRM Cc1nsc(N(C)CCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001100263567 826921401 /nfs/dbraw/zinc/92/14/01/826921401.db2.gz WDPTWXAQXRAXTF-UHFFFAOYSA-N -1 0 324.366 -0.488 20 0 DBADRM CCCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ncccn1 ZINC001101164558 827082336 /nfs/dbraw/zinc/08/23/36/827082336.db2.gz ORWAJKVNLHKGBN-UHFFFAOYSA-N -1 0 321.341 -0.488 20 0 DBADRM CN(CCNc1cc(F)ncn1)C(=O)c1cnc([O-])n(C)c1=O ZINC001101887056 827159111 /nfs/dbraw/zinc/15/91/11/827159111.db2.gz QTXJCUFWFZNWDQ-UHFFFAOYSA-N -1 0 322.300 -0.401 20 0 DBADRM C[C@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)c1ccncc1[O-] ZINC001275218253 833160281 /nfs/dbraw/zinc/16/02/81/833160281.db2.gz VRJXRANGCIJDOP-QMMMGPOBSA-N -1 0 316.321 -0.435 20 0 DBADRM Cc1ncc(C)c(NCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001102050278 827182203 /nfs/dbraw/zinc/18/22/03/827182203.db2.gz GCHJFYHEPKDODC-UHFFFAOYSA-N -1 0 319.325 -0.126 20 0 DBADRM O=C([O-])Cc1nccnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001163653339 833161282 /nfs/dbraw/zinc/16/12/82/833161282.db2.gz IDGRKYBAWTXLCF-GFCCVEGCSA-N -1 0 320.349 -0.069 20 0 DBADRM O=C([O-])Cc1nccnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001163653340 833161479 /nfs/dbraw/zinc/16/14/79/833161479.db2.gz IDGRKYBAWTXLCF-LBPRGKRZSA-N -1 0 320.349 -0.069 20 0 DBADRM Cc1nc(S(C)(=O)=O)ncc1N[C@H]1SC(=O)[N-]C1=O ZINC001163675042 833162345 /nfs/dbraw/zinc/16/23/45/833162345.db2.gz WCQKTHNJUHUFPW-ZETCQYMHSA-N -1 0 302.337 -0.090 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ncccn1 ZINC001103373815 827282145 /nfs/dbraw/zinc/28/21/45/827282145.db2.gz GTCKVDAGNORHKA-ZETCQYMHSA-N -1 0 305.298 -0.307 20 0 DBADRM Cc1cc(NC[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001104039221 827319361 /nfs/dbraw/zinc/31/93/61/827319361.db2.gz LWMQPXMZMRLCMQ-QMMMGPOBSA-N -1 0 321.341 -0.348 20 0 DBADRM CN1C[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)OCC1=O ZINC001275466104 833181664 /nfs/dbraw/zinc/18/16/64/833181664.db2.gz YFGBYLNJLKNPNG-NSHDSACASA-N -1 0 300.340 -0.969 20 0 DBADRM CN1C(=O)C[C@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001275463962 833181673 /nfs/dbraw/zinc/18/16/73/833181673.db2.gz CMOJJBWJAPLMMJ-LBPRGKRZSA-N -1 0 312.351 -0.431 20 0 DBADRM Cc1ccnc(NC[C@H](C)N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001104643982 827364344 /nfs/dbraw/zinc/36/43/44/827364344.db2.gz JEXHOJQMZJIFEY-VIFPVBQESA-N -1 0 321.341 -0.253 20 0 DBADRM Cc1nccc(NC[C@@H](C)N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001104881955 827376575 /nfs/dbraw/zinc/37/65/75/827376575.db2.gz XJARSXLQMAQTOY-SSDOTTSWSA-N -1 0 319.325 -0.046 20 0 DBADRM C[C@H](CNc1nccnc1F)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001104881102 827377069 /nfs/dbraw/zinc/37/70/69/827377069.db2.gz HAAVFNBWFFTMRH-ZCFIWIBFSA-N -1 0 323.288 -0.216 20 0 DBADRM O=C([O-])Cc1nccnc1N1C[C@](O)(C(F)(F)F)C[C@H]1CO ZINC001164160057 833194139 /nfs/dbraw/zinc/19/41/39/833194139.db2.gz ZGMWJXNNDJPDHJ-CPCISQLKSA-N -1 0 321.255 -0.032 20 0 DBADRM CC(C)[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1ncccn1 ZINC001105208872 827405667 /nfs/dbraw/zinc/40/56/67/827405667.db2.gz ISSFMELBCKIYKR-SECBINFHSA-N -1 0 321.341 -0.268 20 0 DBADRM CC[C@@]1(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001275583986 833192870 /nfs/dbraw/zinc/19/28/70/833192870.db2.gz YWMANJNJFOVLCO-YMTOWFKASA-N -1 0 324.385 -0.637 20 0 DBADRM Cn1[n-]c(C(=O)N2CCc3nc(C(N)=O)ccc3C2)cc1=O ZINC001275609909 833193476 /nfs/dbraw/zinc/19/34/76/833193476.db2.gz HUPZZBWXJFHHPF-UHFFFAOYSA-N -1 0 301.306 -0.182 20 0 DBADRM Cc1nccc(N(C)CCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001105436291 827448301 /nfs/dbraw/zinc/44/83/01/827448301.db2.gz BVRDQQBRDYDOSD-UHFFFAOYSA-N -1 0 321.341 -0.617 20 0 DBADRM Cc1cc(N(C)CCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001105436293 827448567 /nfs/dbraw/zinc/44/85/67/827448567.db2.gz BXMORMTUHFRFPN-UHFFFAOYSA-N -1 0 321.341 -0.617 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNc2ccnc(C)n2)c1[O-] ZINC001105819356 827521832 /nfs/dbraw/zinc/52/18/32/827521832.db2.gz DCHNVMUIISMWGO-SECBINFHSA-N -1 0 306.326 -0.275 20 0 DBADRM COc1ccnc(NC[C@H](O)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001105819738 827522669 /nfs/dbraw/zinc/52/26/69/827522669.db2.gz KHJXYTPNOCOPNV-MRVPVSSYSA-N -1 0 322.325 -0.575 20 0 DBADRM CC(C)(C)NC(=O)[C@@H]1CC12CN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001275820782 833211757 /nfs/dbraw/zinc/21/17/57/833211757.db2.gz VHNRSFJUEPIVBW-QMMMGPOBSA-N -1 0 320.349 -0.560 20 0 DBADRM O=C(c1c[nH]c(=O)c(=O)[n-]1)N1CC[C@@H]2C[C@@]21C(=O)N1CC=CC1 ZINC001275820473 833211835 /nfs/dbraw/zinc/21/18/35/833211835.db2.gz JNHYSVXKXQBZRB-PSLIRLAXSA-N -1 0 316.317 -0.934 20 0 DBADRM CCn1c(N)c(Nc2ccc(C(=O)[O-])nn2)c(=O)n(CC)c1=O ZINC001164466111 833211879 /nfs/dbraw/zinc/21/18/79/833211879.db2.gz DULXOXWWOGXHPE-UHFFFAOYSA-N -1 0 320.309 -0.136 20 0 DBADRM NC(=O)C1=CC2(CC1)CCN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)CC2 ZINC001275820503 833211928 /nfs/dbraw/zinc/21/19/28/833211928.db2.gz KQFTZPVMIQCTCY-UHFFFAOYSA-N -1 0 318.333 -0.509 20 0 DBADRM NC(=O)[C@H]1CCC2(C1)CCN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)CC2 ZINC001275820425 833212102 /nfs/dbraw/zinc/21/21/02/833212102.db2.gz ICFADIORGMQMSP-VIFPVBQESA-N -1 0 320.349 -0.429 20 0 DBADRM CC(C)(C)NC(=O)[C@@]12C[C@@H]1CN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001275820488 833212271 /nfs/dbraw/zinc/21/22/71/833212271.db2.gz KCFCUADKLRLMCN-ANRSDYALSA-N -1 0 320.349 -0.560 20 0 DBADRM O=C(NC[C@H](O)CNc1cccc(F)n1)c1n[nH]c(=O)[n-]c1=O ZINC001106168611 827637668 /nfs/dbraw/zinc/63/76/68/827637668.db2.gz MVKOMRKJPQGKKP-ZCFIWIBFSA-N -1 0 324.272 -0.980 20 0 DBADRM NC(=O)CN1CCN(c2nc[n-]c3nc(=S)sc2-3)CC1 ZINC001165155786 833230438 /nfs/dbraw/zinc/23/04/38/833230438.db2.gz WFFJPCVNJPMESV-UHFFFAOYSA-N -1 0 310.408 -0.018 20 0 DBADRM C[C@@H](CCNc1ncc(F)cn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001106643424 827667120 /nfs/dbraw/zinc/66/71/20/827667120.db2.gz BNWZSHXRIOMLFM-LURJTMIESA-N -1 0 323.288 -0.168 20 0 DBADRM O=C(NCC(F)F)[C@@]12C[C@@H]1CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276020040 833235509 /nfs/dbraw/zinc/23/55/09/833235509.db2.gz YXWBGQRMFDMGHO-SREIQFSDSA-N -1 0 300.265 -0.041 20 0 DBADRM Cn1ccnc1NC(=O)[C@@H]1CC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276019319 833235515 /nfs/dbraw/zinc/23/55/15/833235515.db2.gz NJAFCVDPMSZDFE-QMMMGPOBSA-N -1 0 316.321 -0.050 20 0 DBADRM O=C(Nc1cn[nH]c1)[C@@H]1CC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276020000 833236010 /nfs/dbraw/zinc/23/60/10/833236010.db2.gz XQWNUTFCLHYLMU-QMMMGPOBSA-N -1 0 302.294 -0.061 20 0 DBADRM CC(C)(C)NC(=O)C1=NO[C@@H]2CN(C(=O)c3cc(=O)[nH][n-]3)C[C@H]12 ZINC001276019551 833236220 /nfs/dbraw/zinc/23/62/20/833236220.db2.gz REABLUNRMNOZGW-IONNQARKSA-N -1 0 321.337 -0.143 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@]2(C)CN(C[C@@H](C)O)CCO2)c1[O-] ZINC001107872008 827819123 /nfs/dbraw/zinc/81/91/23/827819123.db2.gz MKVVMFIDXWLAHR-YMTOWFKASA-N -1 0 312.370 -0.375 20 0 DBADRM Cc1nsc(NC[C@@H](C)NC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001108052726 827882195 /nfs/dbraw/zinc/88/21/95/827882195.db2.gz KSOIYMASVFTHRQ-ZCFIWIBFSA-N -1 0 324.366 -0.124 20 0 DBADRM Cc1cc(C)nc(NC[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001108208695 827920469 /nfs/dbraw/zinc/92/04/69/827920469.db2.gz OKZMKOVGDMNTOH-MRVPVSSYSA-N -1 0 319.325 -0.080 20 0 DBADRM CCCC(=O)N[C@H]1CC(=O)N(C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001108499265 827986612 /nfs/dbraw/zinc/98/66/12/827986612.db2.gz YFIKFAWNTZMBQL-VIFPVBQESA-N -1 0 322.369 -0.788 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N(C)CC(=O)N(C)C)nc1 ZINC001166663716 833277132 /nfs/dbraw/zinc/27/71/32/833277132.db2.gz IAMTXALPEWALFZ-UHFFFAOYSA-N -1 0 314.367 -0.569 20 0 DBADRM C[C@@H](CNc1ncccn1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001108585500 828024364 /nfs/dbraw/zinc/02/43/64/828024364.db2.gz WLOROIZPZQCDST-VIFPVBQESA-N -1 0 321.341 -0.124 20 0 DBADRM Cc1ccc(NC[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001108781747 828047535 /nfs/dbraw/zinc/04/75/35/828047535.db2.gz ABQVJPGNXKVNLK-ZETCQYMHSA-N -1 0 305.298 -0.388 20 0 DBADRM O=C(NCC1(Nc2ncccn2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001110406253 828177175 /nfs/dbraw/zinc/17/71/75/828177175.db2.gz BTTYQGABWQMYJN-UHFFFAOYSA-N -1 0 303.282 -0.553 20 0 DBADRM COCc1cc(N[C@@H]2CO[N-]C2=O)nc(-c2ccnc(C)n2)n1 ZINC001167512640 833301868 /nfs/dbraw/zinc/30/18/68/833301868.db2.gz AZLFIMBREGBLIY-LLVKDONJSA-N -1 0 316.321 -0.348 20 0 DBADRM CCn1nncc1CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001167622932 833305594 /nfs/dbraw/zinc/30/55/94/833305594.db2.gz NINBCRRMBNMLQN-UHFFFAOYSA-N -1 0 315.293 -0.023 20 0 DBADRM C[C@H]1[C@H](Nc2ccn3cc(N)nc3c2)C(=O)N1S(=O)(=O)[O-] ZINC001167858229 833311577 /nfs/dbraw/zinc/31/15/77/833311577.db2.gz GCBPJAJMNGPXOG-WKEGUHRASA-N -1 0 311.323 -0.270 20 0 DBADRM CCOc1ncc(F)c(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001167857545 833311582 /nfs/dbraw/zinc/31/15/82/833311582.db2.gz CYIPOFBFBSUWCE-FSPLSTOPSA-N -1 0 320.302 -0.172 20 0 DBADRM CC(=O)Nc1cncc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001167857831 833311606 /nfs/dbraw/zinc/31/16/06/833311606.db2.gz HULBXDSTXQIKCZ-CDUCUWFYSA-N -1 0 315.311 -0.751 20 0 DBADRM COc1ncc(Cl)nc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167857541 833311614 /nfs/dbraw/zinc/31/16/14/833311614.db2.gz CWXLWZIMCDSROB-NJGYIYPDSA-N -1 0 322.730 -0.047 20 0 DBADRM COCc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)ncn1 ZINC001167857936 833311699 /nfs/dbraw/zinc/31/16/99/833311699.db2.gz KBGUNNHKMWMDOL-RCOVLWMOSA-N -1 0 302.312 -0.563 20 0 DBADRM CCc1nnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc1CC ZINC001167858050 833311710 /nfs/dbraw/zinc/31/17/10/833311710.db2.gz DZEBJTJYOXJAPF-RCOVLWMOSA-N -1 0 315.355 -0.190 20 0 DBADRM C[C@H]1[C@H](Nc2cc(-n3ccnc3)ncn2)C(=O)N1S(=O)(=O)[O-] ZINC001167858855 833311898 /nfs/dbraw/zinc/31/18/98/833311898.db2.gz SMOMOVUPVIGZOH-XVKPBYJWSA-N -1 0 324.322 -0.524 20 0 DBADRM C[C@H]1[C@H](Nc2cccn3c(=O)ccnc23)C(=O)N1S(=O)(=O)[O-] ZINC001167861904 833312002 /nfs/dbraw/zinc/31/20/02/833312002.db2.gz WKSUVABFFKVVDI-XVKPBYJWSA-N -1 0 324.318 -0.492 20 0 DBADRM COc1ncnc(Cl)c1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167861848 833312021 /nfs/dbraw/zinc/31/20/21/833312021.db2.gz VCDZGAWAAZBUPP-WHFBIAKZSA-N -1 0 322.730 -0.047 20 0 DBADRM C[C@H]1[C@H](Nc2ccc(NC(N)=O)cc2)C(=O)N1S(=O)(=O)[O-] ZINC001167858785 833312106 /nfs/dbraw/zinc/31/21/06/833312106.db2.gz MDGBAJFUHBJPAV-RCOVLWMOSA-N -1 0 314.323 -0.009 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNc2ncc(F)cn2)c1[O-] ZINC001111457260 828272903 /nfs/dbraw/zinc/27/29/03/828272903.db2.gz QBUJYMJQCJGVDV-UHFFFAOYSA-N -1 0 324.316 -0.101 20 0 DBADRM N=C(Nc1ncnc2c1CC(=O)N2)SCCS(=O)(=O)[O-] ZINC001168087338 833317791 /nfs/dbraw/zinc/31/77/91/833317791.db2.gz DQZQNGMYCDETQM-UHFFFAOYSA-N -1 0 317.352 -0.061 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(Nc2ncccn2)CCC1 ZINC001111829016 828316637 /nfs/dbraw/zinc/31/66/37/828316637.db2.gz OJGXSIGIIBOXIT-UHFFFAOYSA-N -1 0 319.325 -0.370 20 0 DBADRM Cc1nccc(N[C@@H](C)CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001115801970 828865825 /nfs/dbraw/zinc/86/58/25/828865825.db2.gz STMLDUULGZHYTI-QMMMGPOBSA-N -1 0 321.341 -0.253 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC001116153354 828879000 /nfs/dbraw/zinc/87/90/00/828879000.db2.gz FASGACWSOSKGMO-UHFFFAOYSA-N -1 0 317.367 -0.389 20 0 DBADRM Cn1cc(-c2[nH]ncc2C(=O)[N-]n2ccc(=O)[nH]c2=O)cn1 ZINC001168868495 833329880 /nfs/dbraw/zinc/32/98/80/833329880.db2.gz FCFTUHLQZQGJHG-UHFFFAOYSA-N -1 0 301.266 -0.544 20 0 DBADRM CN(C)c1ccccc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001116509175 828898687 /nfs/dbraw/zinc/89/86/87/828898687.db2.gz LFPUVKYYURSFFD-UHFFFAOYSA-N -1 0 304.310 -0.169 20 0 DBADRM Cn1nnc2cc(C(=O)N3CCO[C@H](c4nnn[n-]4)C3)cnc21 ZINC001116560268 828901913 /nfs/dbraw/zinc/90/19/13/828901913.db2.gz GSSTYOLTTUUFKX-VIFPVBQESA-N -1 0 315.297 -0.910 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC001116684625 828907663 /nfs/dbraw/zinc/90/76/63/828907663.db2.gz IAPSJOYNCLAQIF-BDAKNGLRSA-N -1 0 311.381 -0.630 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1 ZINC001116717055 828909227 /nfs/dbraw/zinc/90/92/27/828909227.db2.gz KLWHWPRFSOPCOL-UHFFFAOYSA-N -1 0 317.305 -0.104 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC001116735318 828910958 /nfs/dbraw/zinc/91/09/58/828910958.db2.gz TYHRAGGTSJPZJX-UHFFFAOYSA-N -1 0 324.268 -0.818 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)[N-]OC)ccc1C ZINC001116735316 828910964 /nfs/dbraw/zinc/91/09/64/828910964.db2.gz TULZYRFZNFTAAD-UHFFFAOYSA-N -1 0 301.324 -0.481 20 0 DBADRM Cc1cc(C)n2ncc(C(=O)NCCc3nc(=O)o[n-]3)c2n1 ZINC001116860028 828916875 /nfs/dbraw/zinc/91/68/75/828916875.db2.gz QWXDSOWDJUFQPA-UHFFFAOYSA-N -1 0 302.294 -0.005 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@H]1COc2ccccc2O1 ZINC001117050261 828934964 /nfs/dbraw/zinc/93/49/64/828934964.db2.gz ZKJPUBXKDSRRSZ-JTQLQIEISA-N -1 0 310.306 -0.363 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1nnc2n1CCCC2 ZINC001117104221 828943207 /nfs/dbraw/zinc/94/32/07/828943207.db2.gz ZUPVEPVBQUQAQO-UHFFFAOYSA-N -1 0 311.342 -0.685 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCOC[C@@H]1CCCO1 ZINC001117159834 828949152 /nfs/dbraw/zinc/94/91/52/828949152.db2.gz RRZNYXQYUARNNO-RYUDHWBXSA-N -1 0 316.354 -0.618 20 0 DBADRM CCS(=O)(=O)CCNC(=O)C(=O)[N-]OCc1ccccc1 ZINC001117258439 828952937 /nfs/dbraw/zinc/95/29/37/828952937.db2.gz FBPWGQYTCKEHBM-UHFFFAOYSA-N -1 0 314.363 -0.215 20 0 DBADRM CCOC(=O)c1nc(=N[C@@H](CO)C(N)=O)c2sccc2[n-]1 ZINC001169322866 833338723 /nfs/dbraw/zinc/33/87/23/833338723.db2.gz FELFPFNIKHOCNS-ZETCQYMHSA-N -1 0 310.335 -0.452 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC001117309928 828958987 /nfs/dbraw/zinc/95/89/87/828958987.db2.gz YXMARCONODLZMV-VXGBXAGGSA-N -1 0 301.387 -0.084 20 0 DBADRM Cc1nnc(COCC(=O)NCCCc2n[nH]c(=O)[n-]2)s1 ZINC001117387072 828971665 /nfs/dbraw/zinc/97/16/65/828971665.db2.gz NKZQGMQKWXENAT-UHFFFAOYSA-N -1 0 312.355 -0.064 20 0 DBADRM COC1(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)CCOCC1 ZINC001117437868 828978888 /nfs/dbraw/zinc/97/88/88/828978888.db2.gz ANFOGAUJVYIINW-LLVKDONJSA-N -1 0 316.354 -0.618 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC001117487852 828985591 /nfs/dbraw/zinc/98/55/91/828985591.db2.gz KUGZBYFQLHTGGX-SMDDNHRTSA-N -1 0 316.354 -0.475 20 0 DBADRM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001117573019 828993715 /nfs/dbraw/zinc/99/37/15/828993715.db2.gz AVVZALWRQYSAPZ-QWRGUYRKSA-N -1 0 313.354 -0.756 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC001117685554 829008027 /nfs/dbraw/zinc/00/80/27/829008027.db2.gz PWGNLUOHINHTBJ-UHFFFAOYSA-N -1 0 324.424 -0.519 20 0 DBADRM O=C([O-])CCCNC(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC001118135325 829038469 /nfs/dbraw/zinc/03/84/69/829038469.db2.gz FQUVABWCCQCWLW-UHFFFAOYSA-N -1 0 312.326 -0.329 20 0 DBADRM CCOC(=O)Cn1cnc(NC(=O)C(=O)[N-]OCC2CC2)n1 ZINC001118168421 829043124 /nfs/dbraw/zinc/04/31/24/829043124.db2.gz BKORWWWPIFLDSU-UHFFFAOYSA-N -1 0 311.298 -0.763 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)c1cc[n+]([O-])cc1 ZINC001118177080 829044038 /nfs/dbraw/zinc/04/40/38/829044038.db2.gz UMKWUJFIUFDZMW-UHFFFAOYSA-N -1 0 324.318 -0.582 20 0 DBADRM COC(=O)CN(CCN1CCOCC1)C(=O)[C@H](C)C(=O)[O-] ZINC001118238009 829054483 /nfs/dbraw/zinc/05/44/83/829054483.db2.gz SVRPBRSFBFHTQK-JTQLQIEISA-N -1 0 302.327 -0.959 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)co1 ZINC001118271128 829060850 /nfs/dbraw/zinc/06/08/50/829060850.db2.gz JIASFYQCCRNQOQ-UHFFFAOYSA-N -1 0 314.323 -0.131 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H](C)CC(F)(F)F ZINC001118296617 829063827 /nfs/dbraw/zinc/06/38/27/829063827.db2.gz FVIMQRINMOZTIP-SSDOTTSWSA-N -1 0 313.276 -0.125 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCc2cc(F)ccc2C1 ZINC001118300798 829065108 /nfs/dbraw/zinc/06/51/08/829065108.db2.gz BWMWOZZMRJHZGM-UHFFFAOYSA-N -1 0 323.324 -0.106 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001118301857 829065620 /nfs/dbraw/zinc/06/56/20/829065620.db2.gz VNZMHRIHVZOJMJ-GHMZBOCLSA-N -1 0 313.354 -0.945 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1nc(C(F)(F)F)co1 ZINC001118314382 829067613 /nfs/dbraw/zinc/06/76/13/829067613.db2.gz XUYLJUZPLOZPQT-UHFFFAOYSA-N -1 0 324.215 -0.184 20 0 DBADRM C[C@@H](CNC(=O)N1CCC(C(=O)NCCCO)CC1)C(=O)[O-] ZINC001118325589 829069172 /nfs/dbraw/zinc/06/91/72/829069172.db2.gz JGJYZTRWIYNHQU-JTQLQIEISA-N -1 0 315.370 -0.373 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1ccccc1C ZINC001118342480 829072447 /nfs/dbraw/zinc/07/24/47/829072447.db2.gz GXQWKNBFCGPNPZ-UHFFFAOYSA-N -1 0 307.350 -0.162 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(S(C)(=O)=O)CC1 ZINC001118343242 829072584 /nfs/dbraw/zinc/07/25/84/829072584.db2.gz BEUUHUVSCCGCDQ-UHFFFAOYSA-N -1 0 307.372 -0.727 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC001118359463 829074839 /nfs/dbraw/zinc/07/48/39/829074839.db2.gz NQJGTCPFVWARJF-NXEZZACHSA-N -1 0 301.343 -0.898 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(Cl)cn1 ZINC001118354681 829075241 /nfs/dbraw/zinc/07/52/41/829075241.db2.gz RIKRFOFDBJCBLZ-UHFFFAOYSA-N -1 0 314.729 -0.465 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC001118360367 829075720 /nfs/dbraw/zinc/07/57/20/829075720.db2.gz ZBHPAASYLNKGQS-FBIMIBRVSA-N -1 0 315.370 -0.654 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC001118365911 829076583 /nfs/dbraw/zinc/07/65/83/829076583.db2.gz NNABKCLEOVRCPD-UHFFFAOYSA-N -1 0 323.353 -0.700 20 0 DBADRM O=C(NCc1cc2n(n1)CCCO2)c1c[n-]n2c1nccc2=O ZINC001118378177 829077531 /nfs/dbraw/zinc/07/75/31/829077531.db2.gz JCSVGSMVNXAADB-UHFFFAOYSA-N -1 0 314.305 -0.068 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)c1ncn(C)n1)C(=O)[O-] ZINC001118390881 829079109 /nfs/dbraw/zinc/07/91/09/829079109.db2.gz ZNDSDQAHKYRDAX-BDAKNGLRSA-N -1 0 311.342 -0.535 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)c1ncn(C)n1)C(=O)[O-] ZINC001118390883 829079233 /nfs/dbraw/zinc/07/92/33/829079233.db2.gz ZNDSDQAHKYRDAX-IUCAKERBSA-N -1 0 311.342 -0.535 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1nnc(C2CC2)s1)C(=O)[O-] ZINC001118390885 829079600 /nfs/dbraw/zinc/07/96/00/829079600.db2.gz ZNGOGMKFLUPIPS-LURJTMIESA-N -1 0 312.351 -0.131 20 0 DBADRM O=C(NC[C@H](O)Cn1ccnn1)c1ccc2oc(=O)nc-2[n-]1 ZINC001118770577 829132988 /nfs/dbraw/zinc/13/29/88/829132988.db2.gz OTPDFDCTBOFROP-ZETCQYMHSA-N -1 0 304.266 -0.689 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc[nH]c2=O)C1 ZINC001118861345 829141639 /nfs/dbraw/zinc/14/16/39/829141639.db2.gz FXOOXZVDDXHJCV-SCZZXKLOSA-N -1 0 307.306 -0.227 20 0 DBADRM COC(=O)[C@@H]1C[C@H](N[C@@H]2SC(=O)[N-]C2=O)C[C@@H]1C(=O)OC ZINC001173563809 833377962 /nfs/dbraw/zinc/37/79/62/833377962.db2.gz CGCYWOZQZMDQEI-JVZYCSMKSA-N -1 0 316.335 -0.374 20 0 DBADRM CN1CCC[C@@H](NC(=O)C(=O)[N-]OCc2ccccc2)C1=O ZINC001119135248 829224220 /nfs/dbraw/zinc/22/42/20/829224220.db2.gz HXHZDSLZWGPHDF-GFCCVEGCSA-N -1 0 305.334 -0.029 20 0 DBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccsc1 ZINC001173819270 833379948 /nfs/dbraw/zinc/37/99/48/833379948.db2.gz XHIAADQLVGRORJ-UHFFFAOYSA-N -1 0 303.325 -0.241 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001119193767 829233867 /nfs/dbraw/zinc/23/38/67/829233867.db2.gz IDPSOAJHKUPMEZ-PREPNJAASA-N -1 0 300.355 -0.001 20 0 DBADRM Cc1cncc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001174755033 833382250 /nfs/dbraw/zinc/38/22/50/833382250.db2.gz QIHJRYREJPSYAR-UHFFFAOYSA-N -1 0 312.311 -0.599 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@H](C)c1nnnn1C1CC1)C(=O)[O-] ZINC001119350754 829251782 /nfs/dbraw/zinc/25/17/82/829251782.db2.gz IJTIKVLCFHJRBC-RNFRBKRXSA-N -1 0 310.314 -0.978 20 0 DBADRM Cn1[n-]nnc1=Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001174794861 833382730 /nfs/dbraw/zinc/38/27/30/833382730.db2.gz KCHLGHHBXJZBAI-UHFFFAOYSA-N -1 0 324.366 -0.604 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001119394657 829257638 /nfs/dbraw/zinc/25/76/38/829257638.db2.gz ZBMJPTDYQSVTSM-DDIVZENXSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])CNC(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC001119574349 829277512 /nfs/dbraw/zinc/27/75/12/829277512.db2.gz XSDIHXWCQMTIAL-UHFFFAOYSA-N -1 0 322.369 -0.628 20 0 DBADRM C[S@](=O)CCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001119625385 829283078 /nfs/dbraw/zinc/28/30/78/829283078.db2.gz RWWJMZMZFAXIDO-NRFANRHFSA-N -1 0 310.335 -0.066 20 0 DBADRM C[S@](=O)CCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001119694830 829292411 /nfs/dbraw/zinc/29/24/11/829292411.db2.gz IMCCQVVGWIHMKF-IBGZPJMESA-N -1 0 319.408 -0.049 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)[C@H]1CC[C@@H](SC)C1 ZINC001119926393 829325340 /nfs/dbraw/zinc/32/53/40/829325340.db2.gz WWAQMOHSGFBQSD-DTWKUNHWSA-N -1 0 303.384 -0.477 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cc1csc(N2CCOCC2)n1 ZINC001119976066 829329572 /nfs/dbraw/zinc/32/95/72/829329572.db2.gz RIFKHDKOWIXPFZ-UHFFFAOYSA-N -1 0 314.367 -0.684 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCO[C@H](C(F)(F)F)CC1 ZINC001120188792 829340446 /nfs/dbraw/zinc/34/04/46/829340446.db2.gz JFQOISAOCYFVNZ-ZETCQYMHSA-N -1 0 324.263 -0.492 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC(C2CCOCC2)CC1 ZINC001120191124 829340507 /nfs/dbraw/zinc/34/05/07/829340507.db2.gz SQQBOUOOUWDYNP-UHFFFAOYSA-N -1 0 324.385 -0.006 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001120190862 829340605 /nfs/dbraw/zinc/34/06/05/829340605.db2.gz RPTSEUYNJXEKEF-SNVBAGLBSA-N -1 0 302.285 -0.024 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCOC2(CCCCC2)C1 ZINC001120187639 829340947 /nfs/dbraw/zinc/34/09/47/829340947.db2.gz CFZUQFLKTDXKNX-UHFFFAOYSA-N -1 0 310.358 -0.110 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1c(C)nn(C)c1Br ZINC001120275667 829345994 /nfs/dbraw/zinc/34/59/94/829345994.db2.gz PXZJHASDAYLFNF-UHFFFAOYSA-N -1 0 305.132 -0.102 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCOC2(CCCC2)C1 ZINC001120300720 829349289 /nfs/dbraw/zinc/34/92/89/829349289.db2.gz MZHNBUDLCOVWEZ-UHFFFAOYSA-N -1 0 310.358 -0.110 20 0 DBADRM C[C@H](CN(C)C(=O)c1cnc([O-])n(C)c1=O)Nc1ncccn1 ZINC001120399532 829362798 /nfs/dbraw/zinc/36/27/98/829362798.db2.gz NVAWPPUCDZUIAM-SECBINFHSA-N -1 0 318.337 -0.152 20 0 DBADRM Nc1cccc(N(c2cnn(CC(=O)[O-])c2)S(N)(=O)=O)c1 ZINC001176270839 833402611 /nfs/dbraw/zinc/40/26/11/833402611.db2.gz KBHPAAZHQBYNBU-UHFFFAOYSA-N -1 0 311.323 -0.109 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Nc1cc(F)ncn1 ZINC001120928870 829411707 /nfs/dbraw/zinc/41/17/07/829411707.db2.gz QQFRLIDYWWSAAO-ZCFIWIBFSA-N -1 0 323.288 -0.216 20 0 DBADRM Cc1ccc(N[C@@H](C)CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001120928292 829412072 /nfs/dbraw/zinc/41/20/72/829412072.db2.gz JUBBNYIGVDPGNK-QMMMGPOBSA-N -1 0 319.325 -0.046 20 0 DBADRM COc1ccnc(N[C@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001121455954 829484278 /nfs/dbraw/zinc/48/42/78/829484278.db2.gz SSBLHQGBJQTRQS-QMMMGPOBSA-N -1 0 322.325 -0.575 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)Nc2nccnc2F)c1[O-] ZINC001121453591 829484495 /nfs/dbraw/zinc/48/44/95/829484495.db2.gz CQIOOAOTPJUJHI-SSDOTTSWSA-N -1 0 310.289 -0.444 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)[C@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176680497 833416016 /nfs/dbraw/zinc/41/60/16/833416016.db2.gz ADHDVYSYZZASQO-ZETCQYMHSA-N -1 0 323.305 -0.457 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)CC1 ZINC001121916986 829528300 /nfs/dbraw/zinc/52/83/00/829528300.db2.gz DELHWUDWYKKIIB-TUAOUCFPSA-N -1 0 323.349 -0.484 20 0 DBADRM CCOC[C@@H]1CN(C(=O)Cc2nnn[n-]2)Cc2cnn(C)c21 ZINC001176840047 833421537 /nfs/dbraw/zinc/42/15/37/833421537.db2.gz KCUYHXNDYFZMRS-JTQLQIEISA-N -1 0 305.342 -0.362 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001176840280 833422210 /nfs/dbraw/zinc/42/22/10/833422210.db2.gz OAKFFWZXQDZXON-MUWHJKNJSA-N -1 0 311.239 -0.004 20 0 DBADRM CC(C)C(=O)N1CC[C@H]2CN(C(=O)Cc3nnn[n-]3)CC[C@H]21 ZINC001176840786 833423117 /nfs/dbraw/zinc/42/31/17/833423117.db2.gz NKXPXFODHGHXSO-WDEREUQCSA-N -1 0 306.370 -0.152 20 0 DBADRM CC(C)C(=O)N1CC[C@@H]2CN(C(=O)Cc3nnn[n-]3)CC[C@H]21 ZINC001176840783 833423200 /nfs/dbraw/zinc/42/32/00/833423200.db2.gz NKXPXFODHGHXSO-GHMZBOCLSA-N -1 0 306.370 -0.152 20 0 DBADRM CCOc1cc(NC(=O)Cc2nnn[n-]2)cc(C(=O)OC)n1 ZINC001176840535 833423232 /nfs/dbraw/zinc/42/32/32/833423232.db2.gz QVRXQMPHOYWSTQ-UHFFFAOYSA-N -1 0 306.282 -0.039 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCN(C(=O)c2ccncc2)CC1 ZINC001176842341 833423376 /nfs/dbraw/zinc/42/33/76/833423376.db2.gz IHOOWOQWKJFOEI-UHFFFAOYSA-N -1 0 301.310 -0.878 20 0 DBADRM CCn1nnc2c1[C@@H](COC)CN(C(=O)Cc1nnn[n-]1)C2 ZINC001176840937 833423397 /nfs/dbraw/zinc/42/33/97/833423397.db2.gz YMMWRJIUAAVIBI-MRVPVSSYSA-N -1 0 306.330 -0.874 20 0 DBADRM CC(C)(C)OC(=O)NC(=O)[C@@H]1CCCN1C(=O)Cc1nnn[n-]1 ZINC001176842773 833423417 /nfs/dbraw/zinc/42/34/17/833423417.db2.gz RROYCYKOBLCULD-QMMMGPOBSA-N -1 0 324.341 -0.216 20 0 DBADRM COC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1nnn[n-]1 ZINC001176845850 833424978 /nfs/dbraw/zinc/42/49/78/833424978.db2.gz SUJWQCVODYDZIM-NSHDSACASA-N -1 0 319.321 -0.383 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2n[nH]cc2Br)C1=O ZINC001123736181 829676194 /nfs/dbraw/zinc/67/61/94/829676194.db2.gz UIVXZNAZKAANBF-UHFFFAOYSA-N -1 0 302.088 -0.289 20 0 DBADRM CN(C)C(=O)CN1CCO[C@H]2CN(Cc3ncccc3O)C[C@@H]21 ZINC001276591562 833442121 /nfs/dbraw/zinc/44/21/21/833442121.db2.gz QFKTXPWAKPOMEW-ZFWWWQNUSA-N -1 0 320.393 -0.240 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNc2ncc(F)cn2)c1[O-] ZINC001124311068 829737510 /nfs/dbraw/zinc/73/75/10/829737510.db2.gz ZEWZTTUGGFWXNK-VIFPVBQESA-N -1 0 324.316 -0.102 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNCc2nnc(C3CC3)[nH]2)c1[O-] ZINC001125734158 829876029 /nfs/dbraw/zinc/87/60/29/829876029.db2.gz HZXDSIFMGWSWLV-UHFFFAOYSA-N -1 0 305.342 -0.061 20 0 DBADRM CCc1nnc(CNCCNC(=O)c2[nH]nc(C)c2[O-])n1C ZINC001125729048 829876426 /nfs/dbraw/zinc/87/64/26/829876426.db2.gz RVCLXLQMHPQIEW-UHFFFAOYSA-N -1 0 307.358 -0.366 20 0 DBADRM C[C@@]1(CO)CN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])CC[C@H]1O ZINC001180172294 833571207 /nfs/dbraw/zinc/57/12/07/833571207.db2.gz RMDLBCHXEYPDTE-MUWHJKNJSA-N -1 0 317.235 -0.067 20 0 DBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)NCCN1CC2(COC2)C1 ZINC001180176897 833571849 /nfs/dbraw/zinc/57/18/49/833571849.db2.gz QSTIWICJSSYAIC-UHFFFAOYSA-N -1 0 314.235 -0.210 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180177018 833571916 /nfs/dbraw/zinc/57/19/16/833571916.db2.gz WSVXALQKXVFMOL-ZCFIWIBFSA-N -1 0 302.224 -0.212 20 0 DBADRM CCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128662432 830116985 /nfs/dbraw/zinc/11/69/85/830116985.db2.gz NTIKEIXUSDXOSA-ZJUUUORDSA-N -1 0 320.357 -0.556 20 0 DBADRM CC(C)c1nnc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)[nH]1 ZINC001130862896 830400582 /nfs/dbraw/zinc/40/05/82/830400582.db2.gz JHMDANDUMBIGCE-UHFFFAOYSA-N -1 0 322.329 -0.956 20 0 DBADRM CCn1ccnc1CNCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001130863134 830401334 /nfs/dbraw/zinc/40/13/34/830401334.db2.gz LPTZRBRKEIPUPV-UHFFFAOYSA-N -1 0 307.314 -0.981 20 0 DBADRM CC(C)c1cnc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001130864547 830401595 /nfs/dbraw/zinc/40/15/95/830401595.db2.gz BZKWFRKVTVLLNA-UHFFFAOYSA-N -1 0 322.325 -0.086 20 0 DBADRM CNC(=O)CC(=O)N[C@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001132006294 830574312 /nfs/dbraw/zinc/57/43/12/830574312.db2.gz IPIJSBFNVKBVCN-IUCAKERBSA-N -1 0 310.358 -0.885 20 0 DBADRM Cc1nc(CNCCNC(=O)c2cnc([O-])n(C)c2=O)co1 ZINC001132241687 830610615 /nfs/dbraw/zinc/61/06/15/830610615.db2.gz CGXXUBGWCBMKSH-UHFFFAOYSA-N -1 0 307.310 -0.698 20 0 DBADRM Cc1cnc(CNCCNC(=O)c2cnc([O-])n(C)c2=O)o1 ZINC001132242153 830611823 /nfs/dbraw/zinc/61/18/23/830611823.db2.gz KAVAGPFBMCGGKO-UHFFFAOYSA-N -1 0 307.310 -0.698 20 0 DBADRM Cc1conc1CNCCNC(=O)c1cnc([O-])n(C)c1=O ZINC001132242620 830612186 /nfs/dbraw/zinc/61/21/86/830612186.db2.gz VTGWXTPUBJAVMX-UHFFFAOYSA-N -1 0 307.310 -0.698 20 0 DBADRM C[C@@H](NCCNC(=O)c1cnc([O-])n(C)c1=O)c1csnn1 ZINC001132242140 830612204 /nfs/dbraw/zinc/61/22/04/830612204.db2.gz JQAYDZYEZSRYKA-SSDOTTSWSA-N -1 0 324.366 -0.582 20 0 DBADRM Cc1cnc([C@H](C)NCCNC(=O)c2cnc([O-])n(C)c2=O)o1 ZINC001132242612 830612237 /nfs/dbraw/zinc/61/22/37/830612237.db2.gz VOHSDXLPDBQXSR-VIFPVBQESA-N -1 0 321.337 -0.137 20 0 DBADRM Cc1noc([C@H](C)NCCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001132247871 830612907 /nfs/dbraw/zinc/61/29/07/830612907.db2.gz LPKPWFBZPCHUBT-ZETCQYMHSA-N -1 0 322.325 -0.742 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)C2(C(N)=O)CC2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001132261589 830616874 /nfs/dbraw/zinc/61/68/74/830616874.db2.gz NKMYKTZBOFZRRL-IUCAKERBSA-N -1 0 322.369 -0.755 20 0 DBADRM CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N[C@@H]1CO[N-]C1=O ZINC001181861844 833646730 /nfs/dbraw/zinc/64/67/30/833646730.db2.gz HQDJJGXCTZBUKO-HTQZYQBOSA-N -1 0 313.310 -0.541 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)CCCC(N)=O)CN1Cc1n[nH]c(=O)[n-]1 ZINC001132543020 830668745 /nfs/dbraw/zinc/66/87/45/830668745.db2.gz UODXPYHUMCQLKY-NXEZZACHSA-N -1 0 324.385 -0.365 20 0 DBADRM CO[N-]C(=O)CNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC001134415294 830934799 /nfs/dbraw/zinc/93/47/99/830934799.db2.gz YCTHVODHTSIWRU-UHFFFAOYSA-N -1 0 318.333 -0.041 20 0 DBADRM CO[N-]C(=O)CNC(=O)/C=C/c1ccc2c(c1)NC(=O)CO2 ZINC001134417077 830935207 /nfs/dbraw/zinc/93/52/07/830935207.db2.gz JMWUVDCGMRGSGJ-HWKANZROSA-N -1 0 305.290 -0.176 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC001134414822 830935289 /nfs/dbraw/zinc/93/52/89/830935289.db2.gz RWPABPRBKXSSKH-UHFFFAOYSA-N -1 0 310.310 -0.161 20 0 DBADRM CC(=O)N[C@H](CCc1ccccc1)C(=O)N[C@@H]1CO[N-]C1=O ZINC001182793164 833690571 /nfs/dbraw/zinc/69/05/71/833690571.db2.gz ALJRUMYZBZYOGJ-CHWSQXEVSA-N -1 0 305.334 -0.330 20 0 DBADRM O=C(NCCOCCO)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001136172134 831160620 /nfs/dbraw/zinc/16/06/20/831160620.db2.gz QHPAAACYVIAAGU-UHFFFAOYSA-N -1 0 308.294 -0.995 20 0 DBADRM O=C(CCc1nnn[n-]1)NCCN1C(=O)c2ccccc2C1=O ZINC001136408092 831161932 /nfs/dbraw/zinc/16/19/32/831161932.db2.gz CDUUMQACJSLMMI-UHFFFAOYSA-N -1 0 314.305 -0.455 20 0 DBADRM Cn1[n-]c(C(=O)NCCNS(=O)(=O)c2ccccc2)cc1=O ZINC001136488301 831162583 /nfs/dbraw/zinc/16/25/83/831162583.db2.gz KGUQRAIDJFQLLD-UHFFFAOYSA-N -1 0 324.362 -0.166 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccn(Cc2ccccn2)n1 ZINC001136565619 831164085 /nfs/dbraw/zinc/16/40/85/831164085.db2.gz BOEITGOQESRATH-UHFFFAOYSA-N -1 0 315.293 -0.032 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001136655874 831165028 /nfs/dbraw/zinc/16/50/28/831165028.db2.gz LJOHADYRFPXVKG-KMFAHORVSA-N -1 0 310.339 -0.854 20 0 DBADRM Cn1cnc2ccc(C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)nc21 ZINC001136656031 831165129 /nfs/dbraw/zinc/16/51/29/831165129.db2.gz QQFZBJZFBKRJMI-SNVBAGLBSA-N -1 0 314.309 -0.305 20 0 DBADRM CC(C)N1C(=S)N=NC1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001136782931 831166149 /nfs/dbraw/zinc/16/61/49/831166149.db2.gz KQXZBEWECPCHHM-UHFFFAOYSA-N -1 0 313.343 -0.533 20 0 DBADRM Cn1cnn(-c2ccc(NC(=O)CCc3nnn[n-]3)cc2)c1=O ZINC001137894498 831172607 /nfs/dbraw/zinc/17/26/07/831172607.db2.gz UYYIVNBNEVVIGT-UHFFFAOYSA-N -1 0 314.309 -0.345 20 0 DBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)CCc2nnn[n-]2)C1 ZINC001139658186 831181593 /nfs/dbraw/zinc/18/15/93/831181593.db2.gz NHLDVNVQUACRGI-WDEREUQCSA-N -1 0 313.358 -0.995 20 0 DBADRM COC(=O)[C@H]1C(=O)NCCN1Cc1[nH]c(C)c(C(=O)[O-])c1C ZINC001140497997 831187039 /nfs/dbraw/zinc/18/70/39/831187039.db2.gz BZFJOCBLIITTJO-LLVKDONJSA-N -1 0 309.322 -0.197 20 0 DBADRM C[C@@]1(C[C@@H]2CCCN2C(=O)c2c[n-]ncc2=O)NC(=O)NC1=O ZINC001140504706 831187066 /nfs/dbraw/zinc/18/70/66/831187066.db2.gz BGVMEJZSBQPXEW-RTHLEPHNSA-N -1 0 319.321 -0.225 20 0 DBADRM N=C(NC(=O)Cn1ccccc1=O)SCCS(=O)(=O)[O-] ZINC001141924185 831196946 /nfs/dbraw/zinc/19/69/46/831196946.db2.gz ZPSUIVCZRPJNMO-UHFFFAOYSA-N -1 0 319.364 -0.480 20 0 DBADRM Cc1noc(C)c1CC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001142204218 831207616 /nfs/dbraw/zinc/20/76/16/831207616.db2.gz LAQJHKYKTMKKFS-WKEGUHRASA-N -1 0 317.323 -0.648 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H]1CC(=O)N(Cc2cccs2)C1 ZINC001142360634 831211899 /nfs/dbraw/zinc/21/18/99/831211899.db2.gz DYXVUXRHLXZVJA-QMMMGPOBSA-N -1 0 306.351 -0.074 20 0 DBADRM Cn1cc(C[C@@H](CO)NC(=O)c2c[n-]n3c2nccc3=O)cn1 ZINC001142581324 831215514 /nfs/dbraw/zinc/21/55/14/831215514.db2.gz BZSROQBANDCHLC-JTQLQIEISA-N -1 0 316.321 -0.911 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001142643621 831217561 /nfs/dbraw/zinc/21/75/61/831217561.db2.gz CFWVRMQWURJKEJ-JZYVYDRUSA-N -1 0 308.315 -0.050 20 0 DBADRM O=C([O-])C(=O)N1CCn2nnc(COCc3cccnc3)c2C1 ZINC001143420129 831237081 /nfs/dbraw/zinc/23/70/81/831237081.db2.gz SMCOUEWLHXLXKT-UHFFFAOYSA-N -1 0 317.305 -0.183 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1[C@H](O)CCN1Cc1ccccc1 ZINC001143674654 831241563 /nfs/dbraw/zinc/24/15/63/831241563.db2.gz FBFBXTIWDBOTSH-DGCLKSJQSA-N -1 0 317.349 -0.238 20 0 DBADRM CCS(=O)(=O)c1ccc(CC(=O)NCS(=O)(=O)[O-])cc1 ZINC001143721145 831243530 /nfs/dbraw/zinc/24/35/30/831243530.db2.gz AHQFFBZSSXQTMV-UHFFFAOYSA-N -1 0 321.376 -0.016 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001184320499 833757273 /nfs/dbraw/zinc/75/72/73/833757273.db2.gz RHIZRYLMOXNWLX-LURJTMIESA-N -1 0 309.369 -0.721 20 0 DBADRM O=C(Nc1cc(=O)[n-]c(Cl)n1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146616861 831286727 /nfs/dbraw/zinc/28/67/27/831286727.db2.gz MAPZZSISRWFAOZ-HCVRKRLWSA-N -1 0 301.686 -0.813 20 0 DBADRM N=C(NC(=O)c1ccc(=O)[nH]n1)SCCS(=O)(=O)[O-] ZINC001146990446 831319283 /nfs/dbraw/zinc/31/92/83/831319283.db2.gz ZTIKHZXJCZNIPB-UHFFFAOYSA-N -1 0 306.325 -0.532 20 0 DBADRM COc1cnc(C(=O)NC(=N)SCCS(=O)(=O)[O-])nc1 ZINC001147041037 831329870 /nfs/dbraw/zinc/32/98/70/831329870.db2.gz BTCUYHRBFMMQOF-UHFFFAOYSA-N -1 0 320.352 -0.229 20 0 DBADRM COCCCC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001147112338 831340049 /nfs/dbraw/zinc/34/00/49/831340049.db2.gz XIOWHSGQJKPMKS-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)c2nccnc2C(N)=O)[n-]1 ZINC001147746732 831403586 /nfs/dbraw/zinc/40/35/86/831403586.db2.gz JBCWIBCUPWSYSI-UHFFFAOYSA-N -1 0 304.266 -0.272 20 0 DBADRM COC(=O)c1onc(C)c1[N-]C(=O)c1nccnc1C(N)=O ZINC001147748507 831403852 /nfs/dbraw/zinc/40/38/52/831403852.db2.gz XMBVABAVMKELEO-UHFFFAOYSA-N -1 0 305.250 -0.089 20 0 DBADRM O=C(NCc1nnn[n-]1)C1=CN2C(=CC=C[C@@H]2C(F)(F)F)N1 ZINC001148011436 831422020 /nfs/dbraw/zinc/42/20/20/831422020.db2.gz GKGXEPWTNFJLAA-SSDOTTSWSA-N -1 0 313.243 -0.095 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2ccc3c(n2)OCCO3)C(=O)N1C ZINC001148188564 831434394 /nfs/dbraw/zinc/43/43/94/831434394.db2.gz YPDDLCJRSPVEOQ-SSDOTTSWSA-N -1 0 306.278 -0.220 20 0 DBADRM Cn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)C3=O)c1CC(=O)[O-] ZINC001177367654 833465349 /nfs/dbraw/zinc/46/53/49/833465349.db2.gz REJCFJIFSRDALW-AOOOYVTPSA-N -1 0 306.318 -0.060 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NCc2nnn[n-]2)ccc1Cl ZINC001148373310 831448744 /nfs/dbraw/zinc/44/87/44/831448744.db2.gz VVUCGKNFBFUDDZ-UHFFFAOYSA-N -1 0 316.730 -0.570 20 0 DBADRM Cn1ccc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c1CC(=O)[O-] ZINC001177364571 833465087 /nfs/dbraw/zinc/46/50/87/833465087.db2.gz DPNGJZIJVBHFAA-SECBINFHSA-N -1 0 307.306 -0.071 20 0 DBADRM Cc1ccc(CC(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cn1 ZINC001177253076 833461850 /nfs/dbraw/zinc/46/18/50/833461850.db2.gz LKFXEDRRGGOKMB-KWQFWETISA-N -1 0 313.335 -0.549 20 0 DBADRM Cn1ccc(C(=O)N2CC[C@](C)(CO)[C@@H](O)C2)c1CC(=O)[O-] ZINC001177365185 833465234 /nfs/dbraw/zinc/46/52/34/833465234.db2.gz ZUOYDZRTOFYDLQ-SWLSCSKDSA-N -1 0 310.350 -0.142 20 0 DBADRM O=C(c1cc(S(=O)(=O)[O-])ccc1O)N1CCCNC(=O)C1 ZINC001148917028 831479277 /nfs/dbraw/zinc/47/92/77/831479277.db2.gz JJSPWMPFRTYAKV-UHFFFAOYSA-N -1 0 314.319 -0.399 20 0 DBADRM O=C(NCC1OCCO1)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148927373 831479381 /nfs/dbraw/zinc/47/93/81/831479381.db2.gz PDIIAMLSDICZGN-UHFFFAOYSA-N -1 0 303.292 -0.258 20 0 DBADRM COCCC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001148978031 831483957 /nfs/dbraw/zinc/48/39/57/831483957.db2.gz YXQJRFTWQKLHJN-JTQLQIEISA-N -1 0 313.358 -0.746 20 0 DBADRM CN(C(=O)c1c[nH]nc1I)c1nnn[n-]1 ZINC001149219790 831508442 /nfs/dbraw/zinc/50/84/42/831508442.db2.gz HLGMKUCIYCFCAF-UHFFFAOYSA-N -1 0 319.066 -0.196 20 0 DBADRM Cc1cccc(CO[N-]C(=O)Cn2ncn3nccc3c2=O)n1 ZINC001149461955 831536199 /nfs/dbraw/zinc/53/61/99/831536199.db2.gz HKPGAAQFXBLTIH-UHFFFAOYSA-N -1 0 314.305 -0.158 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cn2cnccc2n1 ZINC001152490185 831754649 /nfs/dbraw/zinc/75/46/49/831754649.db2.gz CVYNHWLCJHDMSZ-QMMMGPOBSA-N -1 0 306.278 -0.135 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)Cc1cncnc1 ZINC001153064721 831789395 /nfs/dbraw/zinc/78/93/95/831789395.db2.gz RJBOJKIKJAWNNG-SNVBAGLBSA-N -1 0 319.369 -0.130 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1cn(C)nn1 ZINC001153150821 831793887 /nfs/dbraw/zinc/79/38/87/831793887.db2.gz NSODJONCAKHUBZ-MRVPVSSYSA-N -1 0 308.346 -0.721 20 0 DBADRM CC(C)CCO[C@H](C)C(=O)NCCNCc1nc(=O)n(C)[nH]1 ZINC001153161681 831795258 /nfs/dbraw/zinc/79/52/58/831795258.db2.gz ZPSZVMJHNWHYRK-LLVKDONJSA-N -1 0 313.402 -0.235 20 0 DBADRM CC(C)CCO[C@@H](C)C(=O)NCCNCc1nc(=O)n(C)[nH]1 ZINC001153161682 831795435 /nfs/dbraw/zinc/79/54/35/831795435.db2.gz ZPSZVMJHNWHYRK-NSHDSACASA-N -1 0 313.402 -0.235 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)C[C@H]1CCNC1=O ZINC001153799049 831836331 /nfs/dbraw/zinc/83/63/31/831836331.db2.gz HMNZBNCFZCNORO-NXEZZACHSA-N -1 0 324.385 -0.637 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(F)cc1N ZINC001154155862 831864426 /nfs/dbraw/zinc/86/44/26/831864426.db2.gz YFDRJJZPAFEEEN-UHFFFAOYSA-N -1 0 303.315 -0.396 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1cncn1C ZINC001154189770 831866186 /nfs/dbraw/zinc/86/61/86/831866186.db2.gz PUAUTELCPMMSGK-SECBINFHSA-N -1 0 307.358 -0.116 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc2c(=O)[nH][nH]c(=O)c2c1 ZINC001154317779 831871059 /nfs/dbraw/zinc/87/10/59/831871059.db2.gz AFZWKMJNTUUUNR-UHFFFAOYSA-N -1 0 302.250 -0.205 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cccc3nccn32)C(=O)N1S(=O)(=O)[O-] ZINC001154526285 831885633 /nfs/dbraw/zinc/88/56/33/831885633.db2.gz OZFLXLOEYKNWCS-XVKPBYJWSA-N -1 0 324.318 -0.534 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1C ZINC001154796089 831899380 /nfs/dbraw/zinc/89/93/80/831899380.db2.gz OXXFFBRIQFRHEU-NXEZZACHSA-N -1 0 324.385 -0.542 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@]1(F)CCOC1 ZINC001154826021 831901370 /nfs/dbraw/zinc/90/13/70/831901370.db2.gz KPTUAXPCUKDKKZ-RNCFNFMXSA-N -1 0 315.349 -0.035 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001155046275 831913694 /nfs/dbraw/zinc/91/36/94/831913694.db2.gz TZYXPUXPIMDBEC-MRVPVSSYSA-N -1 0 323.357 -0.410 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@H](COC)OC ZINC001155104458 831916744 /nfs/dbraw/zinc/91/67/44/831916744.db2.gz AHYFJWRKNBDDJF-ZJUUUORDSA-N -1 0 315.374 -0.502 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)CCc1cn[nH]n1 ZINC001155330226 831928972 /nfs/dbraw/zinc/92/89/72/831928972.db2.gz LCQBEGBETQFOEL-SECBINFHSA-N -1 0 322.373 -0.412 20 0 DBADRM O=C(C=Cc1ccncn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001155515538 831937185 /nfs/dbraw/zinc/93/71/85/831937185.db2.gz DAWFWNVHOZCTKW-OWOJBTEDSA-N -1 0 301.310 -0.487 20 0 DBADRM CN1CCO[C@H](C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC001155755649 831951001 /nfs/dbraw/zinc/95/10/01/831951001.db2.gz RYRVIKJTRRQNJP-IUCAKERBSA-N -1 0 309.326 -0.927 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001155789678 831952429 /nfs/dbraw/zinc/95/24/29/831952429.db2.gz QDKKESITCNJJKW-NXEZZACHSA-N -1 0 324.385 -0.494 20 0 DBADRM C[C@H]1C(=O)Nc2cnc(N[C@H]3SC(=O)[N-]C3=O)nc2N1C ZINC001155842429 831955093 /nfs/dbraw/zinc/95/50/93/831955093.db2.gz LNWJUWBJDULCFQ-IGJIYHIXSA-N -1 0 308.323 -0.026 20 0 DBADRM CN1CCN(c2nccc(N[C@H]3SC(=O)[N-]C3=O)n2)CC1 ZINC001155844999 831955136 /nfs/dbraw/zinc/95/51/36/831955136.db2.gz WUMMYIDPXOSLSA-JTQLQIEISA-N -1 0 308.367 -0.051 20 0 DBADRM C[C@@H]1C(=O)Nc2cnc(N[C@@H]3SC(=O)[N-]C3=O)nc2N1C ZINC001155842424 831955588 /nfs/dbraw/zinc/95/55/88/831955588.db2.gz LNWJUWBJDULCFQ-ALFREKQPSA-N -1 0 308.323 -0.026 20 0 DBADRM O=C(Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21)c1cnn2c1OCC2 ZINC001156190553 831974090 /nfs/dbraw/zinc/97/40/90/831974090.db2.gz OHCXKSAUCATWCG-UHFFFAOYSA-N -1 0 303.238 -0.443 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1ccc2nnc(-c3cccnc3)n2c1 ZINC001156252665 831977362 /nfs/dbraw/zinc/97/73/62/831977362.db2.gz ZQGSDVMLHXMKPM-LLVKDONJSA-N -1 0 324.300 -0.049 20 0 DBADRM O=C1[N-]OC[C@H]1Nc1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001156694182 831994647 /nfs/dbraw/zinc/99/46/47/831994647.db2.gz BYQSQZKSUBFDFU-SNVBAGLBSA-N -1 0 319.369 -0.664 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)[N-]OCC(C)(C)O ZINC001156707471 831995802 /nfs/dbraw/zinc/99/58/02/831995802.db2.gz FJMXQWBICIGBSZ-KOLCDFICSA-N -1 0 302.371 -0.139 20 0 DBADRM COC(=O)CCN(C)c1ccc(S(=O)(=O)[N-]C(C)=O)cn1 ZINC001156815482 832003038 /nfs/dbraw/zinc/00/30/38/832003038.db2.gz CASWQGUHOLLQHH-UHFFFAOYSA-N -1 0 315.351 -0.094 20 0 DBADRM C[C@H]1[C@H](Nc2cc3c(cn2)NC(=O)C3)C(=O)N1S(=O)(=O)[O-] ZINC001157067577 832018708 /nfs/dbraw/zinc/01/87/08/832018708.db2.gz IBYJQYBQBALYPP-RRAGMBSWSA-N -1 0 312.307 -0.610 20 0 DBADRM COCc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc(C)n1 ZINC001157067844 832019133 /nfs/dbraw/zinc/01/91/33/832019133.db2.gz VNMOURDJEILFGG-WKEGUHRASA-N -1 0 316.339 -0.255 20 0 DBADRM COCc1ccnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157071908 832019144 /nfs/dbraw/zinc/01/91/44/832019144.db2.gz ZOJLSCBMAFIETA-XPUUQOCRSA-N -1 0 302.312 -0.563 20 0 DBADRM COCc1ccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nn1 ZINC001157072744 832019172 /nfs/dbraw/zinc/01/91/72/832019172.db2.gz MCQADPWSIHKRJC-RCOVLWMOSA-N -1 0 302.312 -0.563 20 0 DBADRM C[C@H]1[C@H](Nc2ncnc3c2ncn3C)C(=O)N1S(=O)(=O)[O-] ZINC001157067706 832019223 /nfs/dbraw/zinc/01/92/23/832019223.db2.gz OEPPSJAPMACHTN-WDSKDSINSA-N -1 0 312.311 -0.823 20 0 DBADRM O=C([O-])Cc1nccnc1N1CCN(c2ncc(O)cn2)CC1 ZINC001157240517 832029069 /nfs/dbraw/zinc/02/90/69/832029069.db2.gz PGOXFOFJVBCYOO-UHFFFAOYSA-N -1 0 316.321 -0.074 20 0 DBADRM CC(=O)NCC(=O)N1CCCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001157465331 832045254 /nfs/dbraw/zinc/04/52/54/832045254.db2.gz VRZUEJWZLHPWMT-LLVKDONJSA-N -1 0 324.385 -0.541 20 0 DBADRM CN1CCC(O[N-]C(=O)C2(S(C)(=O)=O)CCOCC2)CC1 ZINC001157738481 832060173 /nfs/dbraw/zinc/06/01/73/832060173.db2.gz VASQJYRLSGVWBR-UHFFFAOYSA-N -1 0 320.411 -0.278 20 0 DBADRM O=P([O-])([O-])OCCNc1cncc(N2CC[NH2+]CC2)n1 ZINC001157791772 832063487 /nfs/dbraw/zinc/06/34/87/832063487.db2.gz UDTDDVBGNJNPMJ-UHFFFAOYSA-N -1 0 303.259 -0.593 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC001157834668 832065203 /nfs/dbraw/zinc/06/52/03/832065203.db2.gz ASLSLEVBJLEKPE-ZETCQYMHSA-N -1 0 321.380 -0.791 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NCCn2cnnc2)nc1 ZINC001158039111 832085535 /nfs/dbraw/zinc/08/55/35/832085535.db2.gz SQBVLZZIGLRZTD-UHFFFAOYSA-N -1 0 310.339 -0.390 20 0 DBADRM CN(CC(=O)N1CCCC(=O)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654681 833804024 /nfs/dbraw/zinc/80/40/24/833804024.db2.gz QHDZVCNEDNRYQC-UHFFFAOYSA-N -1 0 306.259 -0.883 20 0 DBADRM COC1(C)CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC1 ZINC001185653475 833804066 /nfs/dbraw/zinc/80/40/66/833804066.db2.gz GKCLVXZBVAQNTH-UHFFFAOYSA-N -1 0 322.302 -0.437 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](CCO)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657592 833804995 /nfs/dbraw/zinc/80/49/95/833804995.db2.gz YQQZZXXHYSHBGY-VIFPVBQESA-N -1 0 322.302 -0.844 20 0 DBADRM CN(CC(=O)N(C)CC1(C)COC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657654 833805118 /nfs/dbraw/zinc/80/51/18/833805118.db2.gz ZRIDYBRACNIRLD-UHFFFAOYSA-N -1 0 308.275 -0.970 20 0 DBADRM C[C@H]1COCC[C@H]1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664707 833805495 /nfs/dbraw/zinc/80/54/95/833805495.db2.gz YPNDHJSSHIXQPI-JGVFFNPUSA-N -1 0 308.275 -0.924 20 0 DBADRM CC(=O)CC(C)(C)NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663844 833805569 /nfs/dbraw/zinc/80/55/69/833805569.db2.gz PUWLKODYBRVDIG-UHFFFAOYSA-N -1 0 308.275 -0.591 20 0 DBADRM C[C@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])[C@@H]1CCCO1 ZINC001185666992 833805955 /nfs/dbraw/zinc/80/59/55/833805955.db2.gz GJLKGLPFNNCHRK-YUMQZZPRSA-N -1 0 308.275 -0.781 20 0 DBADRM CN1CCO[C@H]2CN(C(=O)c3cccc4c3NC(=O)C4=O)C[C@@H]21 ZINC001269272308 832406332 /nfs/dbraw/zinc/40/63/32/832406332.db2.gz RYLOZCVQRMCGJV-RYUDHWBXSA-N -1 0 315.329 -0.024 20 0 DBADRM CN1C[C@@]2(CC1=O)CCCCN2C(=O)Cn1nn[n-]c1=S ZINC001269277129 832407156 /nfs/dbraw/zinc/40/71/56/832407156.db2.gz FETDBMGEONWQIG-LBPRGKRZSA-N -1 0 310.383 -0.425 20 0 DBADRM CN1CCC2(CCN(C(=O)Cn3nn[n-]c3=S)CC2)C1=O ZINC001269277335 832407494 /nfs/dbraw/zinc/40/74/94/832407494.db2.gz JBOCTPMLEVHZND-UHFFFAOYSA-N -1 0 310.383 -0.567 20 0 DBADRM CCOCCN1CC[C@@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001269576573 832450912 /nfs/dbraw/zinc/45/09/12/832450912.db2.gz PJNGEEDFPSUYRO-AWEZNQCLSA-N -1 0 322.369 -0.628 20 0 DBADRM CC[C@H](C)N1CC[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269576452 832451161 /nfs/dbraw/zinc/45/11/61/832451161.db2.gz MMFVIQPOQXNZFZ-IINYFYTJSA-N -1 0 306.370 -0.008 20 0 DBADRM CC(C)CN1CC[C@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001269578214 832452086 /nfs/dbraw/zinc/45/20/86/832452086.db2.gz WQILFXLSEHCWCG-CQSZACIVSA-N -1 0 306.370 -0.008 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC2(CN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001270182543 832509619 /nfs/dbraw/zinc/50/96/19/832509619.db2.gz IVCYHYVGFXUFRM-UHFFFAOYSA-N -1 0 315.337 -0.813 20 0 DBADRM CC(C)NC(=O)N1CCC2(CN(C(=O)Cc3nnn[n-]3)C2)C1 ZINC001270183509 832510672 /nfs/dbraw/zinc/51/06/72/832510672.db2.gz XWXSUCRVKNWYBU-UHFFFAOYSA-N -1 0 307.358 -0.606 20 0 DBADRM COCCCC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001270619206 832554973 /nfs/dbraw/zinc/55/49/73/832554973.db2.gz AXYGOHDJJCDEMD-JTQLQIEISA-N -1 0 313.358 -0.746 20 0 DBADRM CCN(C(=O)[C@]12C[C@H]1CCN2C(=O)Cc1nnn[n-]1)C(C)C ZINC001270787898 832578246 /nfs/dbraw/zinc/57/82/46/832578246.db2.gz AGYRLVCLQJXPGR-YGRLFVJLSA-N -1 0 306.370 -0.010 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC2(C[C@@H]2C(=O)N2CCCC23CC3)C1 ZINC001270788587 832578430 /nfs/dbraw/zinc/57/84/30/832578430.db2.gz GTTLFQHNJDKALJ-SNVBAGLBSA-N -1 0 316.365 -0.254 20 0 DBADRM CC(C)(C)NC(=O)C12CC(NC(=O)Cn3nn[n-]c3=S)(C1)C2 ZINC001270938740 832598771 /nfs/dbraw/zinc/59/87/71/832598771.db2.gz JPFDJBZMNZBBNR-UHFFFAOYSA-N -1 0 324.410 -0.085 20 0 DBADRM O=C([N-]c1nnco1)c1noc2c1CN(C(=O)[C@@H]1CCO1)CC2 ZINC001271683591 832693050 /nfs/dbraw/zinc/69/30/50/832693050.db2.gz NCFXANJSNVEUIQ-VIFPVBQESA-N -1 0 319.277 -0.017 20 0 DBADRM CCOC(=O)c1nc([N-]S(=O)(=O)CCC(=O)OC)cn1C ZINC001188355174 833978646 /nfs/dbraw/zinc/97/86/46/833978646.db2.gz DBDGVPPKRXRETR-UHFFFAOYSA-N -1 0 319.339 -0.098 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1nnccc1C(=O)OC ZINC001188355776 833978734 /nfs/dbraw/zinc/97/87/34/833978734.db2.gz YLTVQQTZUVDJAJ-UHFFFAOYSA-N -1 0 303.296 -0.432 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(Cc1cocn1)C2 ZINC001277645233 833980534 /nfs/dbraw/zinc/98/05/34/833980534.db2.gz RMNSUVCSPHSIDO-UHFFFAOYSA-N -1 0 315.297 -0.889 20 0 DBADRM CN(C)C(=O)C12CC(NC(=O)C[N-]C(=O)C(F)(F)F)(C1)C2 ZINC001272262521 832764296 /nfs/dbraw/zinc/76/42/96/832764296.db2.gz AEMSKYALZAUVMD-UHFFFAOYSA-N -1 0 307.272 -0.208 20 0 DBADRM NC(=O)[C@H]1[C@H]2CC[C@@H]1CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001272264795 832764339 /nfs/dbraw/zinc/76/43/39/832764339.db2.gz IZLGJRDNWIODMZ-SRSLHRDFSA-N -1 0 307.272 -0.365 20 0 DBADRM NC(=O)c1cn2c(n1)CN(C(=O)C[N-]C(=O)C(F)(F)F)CC2 ZINC001272263661 832764367 /nfs/dbraw/zinc/76/43/67/832764367.db2.gz ACDDNAWWHYKWAH-UHFFFAOYSA-N -1 0 319.243 -0.997 20 0 DBADRM CCOCCN1C(=O)COCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001272282446 832767283 /nfs/dbraw/zinc/76/72/83/832767283.db2.gz DXXZBGWRCJGGBD-UHFFFAOYSA-N -1 0 324.337 -0.795 20 0 DBADRM O=C(NC1COC1)[C@@H]1CC12CCN(C(=O)c1cc(=O)[nH][n-]1)CC2 ZINC001272285163 832768095 /nfs/dbraw/zinc/76/80/95/832768095.db2.gz BNKLYAKBTVVSPK-JTQLQIEISA-N -1 0 320.349 -0.127 20 0 DBADRM CC[C@H](C)N1C(=O)COCC12CN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001272355657 832775333 /nfs/dbraw/zinc/77/53/33/832775333.db2.gz WVWOYHRLJGROOT-JTQLQIEISA-N -1 0 322.365 -0.022 20 0 DBADRM O=C([O-])c1ccc(CN2CC3(C2)COCC(=O)N3C2COC2)o1 ZINC001272764400 832830956 /nfs/dbraw/zinc/83/09/56/832830956.db2.gz RUUQGQZMMLAWPU-UHFFFAOYSA-N -1 0 322.317 -0.210 20 0 DBADRM COC(=O)C[C@@H](C)N(OC)C(=O)c1c[n-]n2c1nccc2=O ZINC001159966910 832862974 /nfs/dbraw/zinc/86/29/74/832862974.db2.gz PCDFFYNIGQOGSY-MRVPVSSYSA-N -1 0 308.294 -0.022 20 0 DBADRM CC(C)=CC(=O)N[C@@H]1COC2(CN(Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001273676089 832948439 /nfs/dbraw/zinc/94/84/39/832948439.db2.gz RDTYZKBWZWFNJV-NSHDSACASA-N -1 0 321.381 -0.466 20 0 DBADRM Cn1ccc(C(=O)Nc2nccnc2C(N)=O)c1CC(=O)[O-] ZINC001177363914 833464415 /nfs/dbraw/zinc/46/44/15/833464415.db2.gz XMXFHQIWNYUAPK-UHFFFAOYSA-N -1 0 303.278 -0.207 20 0 DBADRM Cc1nnc(CC(=O)NC(=N)SCCS(=O)(=O)[O-])[nH]1 ZINC001177441559 833469101 /nfs/dbraw/zinc/46/91/01/833469101.db2.gz USGIYNREUAAOLJ-UHFFFAOYSA-N -1 0 307.357 -0.672 20 0 DBADRM CC(=O)N1CCCC[C@]12CCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001177737795 833480565 /nfs/dbraw/zinc/48/05/65/833480565.db2.gz CMTIPKGQZCDIKA-CYBMUJFWSA-N -1 0 324.410 -0.035 20 0 DBADRM C[C@@H]1CN(C2CN(C(=O)Cn3nn[n-]c3=S)C2)C[C@H](C)O1 ZINC001177738107 833480608 /nfs/dbraw/zinc/48/06/08/833480608.db2.gz BBYLLYGYVNMNPZ-DTORHVGOSA-N -1 0 312.399 -0.718 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1ccc2c(cnn2CCO)c1 ZINC001177741055 833480994 /nfs/dbraw/zinc/48/09/94/833480994.db2.gz QVYWLYOTKQYXIC-UHFFFAOYSA-N -1 0 319.350 -0.058 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1ccc2[nH]c(=O)cnc2c1 ZINC001177740820 833481079 /nfs/dbraw/zinc/48/10/79/833481079.db2.gz FUGGTJOOELMPBJ-UHFFFAOYSA-N -1 0 303.307 -0.163 20 0 DBADRM COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1nn[n-]c1=S)C2 ZINC001177739308 833481098 /nfs/dbraw/zinc/48/10/98/833481098.db2.gz NBSQSJMYFPLMHH-CIUDSAMLSA-N -1 0 311.367 -0.238 20 0 DBADRM COC(=O)[C@H](CCSC)NC(=O)Cn1nn[n-]c1=S ZINC001177742893 833481164 /nfs/dbraw/zinc/48/11/64/833481164.db2.gz HQASIDPGHHHWFP-LURJTMIESA-N -1 0 305.385 -0.627 20 0 DBADRM N=C(NC(=O)Cn1nn[n-]c1=S)n1nnc2ccccc21 ZINC001177745638 833481582 /nfs/dbraw/zinc/48/15/82/833481582.db2.gz BOQQQIIPAGAFKN-UHFFFAOYSA-N -1 0 303.311 -0.694 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NC[C@H](CO)Cc1ccccc1 ZINC001177743997 833481603 /nfs/dbraw/zinc/48/16/03/833481603.db2.gz PNDIQKXCRPBVNE-LLVKDONJSA-N -1 0 307.379 -0.071 20 0 DBADRM COC(=O)C[C@H](NC(=O)Cn1nn[n-]c1=S)c1ccccn1 ZINC001177744395 833481666 /nfs/dbraw/zinc/48/16/66/833481666.db2.gz ZJOVTDNVLSNZML-VIFPVBQESA-N -1 0 322.350 -0.223 20 0 DBADRM N=C(NC(=O)Cn1nn[n-]c1=S)c1cnc2ccc(F)cn21 ZINC001177746177 833481672 /nfs/dbraw/zinc/48/16/72/833481672.db2.gz UCGYNQOBLODLJV-UHFFFAOYSA-N -1 0 320.313 -0.110 20 0 DBADRM COC[C@@H](NC(=O)c1nccn2cc(C)nc12)c1nnn[n-]1 ZINC001177827275 833483166 /nfs/dbraw/zinc/48/31/66/833483166.db2.gz FFCWXDQYVQNMRM-MRVPVSSYSA-N -1 0 302.298 -0.332 20 0 DBADRM CC(C)(C)OC(=O)N1CC(F)(C(=O)NCc2nnn[n-]2)C1 ZINC001178553514 833513612 /nfs/dbraw/zinc/51/36/12/833513612.db2.gz HJJQYVSAXSZOIZ-UHFFFAOYSA-N -1 0 300.294 -0.225 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001178997604 833532803 /nfs/dbraw/zinc/53/28/03/833532803.db2.gz ZBKMYLMXKCZJIG-OLZOCXBDSA-N -1 0 305.334 -0.566 20 0 DBADRM CON(C)C1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC001179231994 833539833 /nfs/dbraw/zinc/53/98/33/833539833.db2.gz MIWAOWNAQXGTQA-UHFFFAOYSA-N -1 0 315.351 -0.643 20 0 DBADRM O=C([N-][C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)C(F)(F)C(F)(F)Cl ZINC001179779879 833558417 /nfs/dbraw/zinc/55/84/17/833558417.db2.gz JYXWBLODQVTVCG-KAZBKCHUSA-N -1 0 309.643 -0.328 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)C1=NNC(=O)CC1 ZINC001180258637 833576512 /nfs/dbraw/zinc/57/65/12/833576512.db2.gz LPZIRNHMUVRWHN-UHFFFAOYSA-N -1 0 322.302 -0.677 20 0 DBADRM O=C(CCC(=O)N1CCNC(=O)CC1)Nc1ncccc1O ZINC001180263674 833577102 /nfs/dbraw/zinc/57/71/02/833577102.db2.gz QFCVBWTZYIHKQV-UHFFFAOYSA-N -1 0 306.322 -0.146 20 0 DBADRM CC(C)N1CCN(CC(=O)n2[n-]c3ccnc(=O)c-3c2N)CC1 ZINC001180353096 833582546 /nfs/dbraw/zinc/58/25/46/833582546.db2.gz WFQJXFZIHZEWEM-UHFFFAOYSA-N -1 0 318.381 -0.075 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)C1(C(=O)[O-])CCCCC1 ZINC001180439341 833585863 /nfs/dbraw/zinc/58/58/63/833585863.db2.gz CDEDLGMBWYZWKJ-UHFFFAOYSA-N -1 0 300.311 -0.573 20 0 DBADRM Nc1c[nH]nc1[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001180772773 833601740 /nfs/dbraw/zinc/60/17/40/833601740.db2.gz DAKBWTYLEWRLLF-QMMMGPOBSA-N -1 0 313.321 -0.042 20 0 DBADRM COc1ccc(C(=O)NCC(=O)N[C@H]2SC(=O)[N-]C2=O)cc1 ZINC001180808486 833603994 /nfs/dbraw/zinc/60/39/94/833603994.db2.gz SQWGOXXCBJTINR-LBPRGKRZSA-N -1 0 323.330 -0.150 20 0 DBADRM COCCN1C[C@@H](C(=O)n2[n-]c3ccnc(=O)c-3c2N)CC1=O ZINC001180894293 833608595 /nfs/dbraw/zinc/60/85/95/833608595.db2.gz AOHCSPTVOJIINC-QMMMGPOBSA-N -1 0 319.321 -0.607 20 0 DBADRM COCCN1C[C@@H](C(=O)NCC(=O)CCC(=O)[O-])CC1=O ZINC001180894839 833608935 /nfs/dbraw/zinc/60/89/35/833608935.db2.gz IXGWCXXALNZNBQ-VIFPVBQESA-N -1 0 300.311 -0.969 20 0 DBADRM CCC[C@@H](NC(C)=O)C(=O)Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21 ZINC001180981908 833612343 /nfs/dbraw/zinc/61/23/43/833612343.db2.gz YWZSDEACKADSQM-ZCFIWIBFSA-N -1 0 308.298 -0.041 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)[C@H]1COCCO1 ZINC001181000572 833613923 /nfs/dbraw/zinc/61/39/23/833613923.db2.gz BMXKTHBTJJZRSP-SECBINFHSA-N -1 0 312.303 -0.527 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)[C@@H]1COCCO1 ZINC001181000576 833614090 /nfs/dbraw/zinc/61/40/90/833614090.db2.gz BMXKTHBTJJZRSP-VIFPVBQESA-N -1 0 312.303 -0.527 20 0 DBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)C2COC2)cc1 ZINC001181008762 833614659 /nfs/dbraw/zinc/61/46/59/833614659.db2.gz ZWHOHWQRTZCPQL-UHFFFAOYSA-N -1 0 312.347 -0.110 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001181056359 833615697 /nfs/dbraw/zinc/61/56/97/833615697.db2.gz KDEVUOZCWKMJIC-BQBZGAKWSA-N -1 0 322.339 -0.906 20 0 DBADRM O=C(NCS(=O)(=O)[O-])[C@@H]1CN(Cc2ccccc2)CC1=O ZINC001181571096 833636399 /nfs/dbraw/zinc/63/63/99/833636399.db2.gz GJKVGEPNVCKTOB-LLVKDONJSA-N -1 0 312.347 -0.351 20 0 DBADRM CCOC(CC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)OCC ZINC001181795508 833645095 /nfs/dbraw/zinc/64/50/95/833645095.db2.gz IZYGMKGRMFLGCS-XVKPBYJWSA-N -1 0 324.355 -0.706 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@H]2CCOC(C)(C)C2)C(=O)N1S(=O)(=O)[O-] ZINC001182024431 833651349 /nfs/dbraw/zinc/65/13/49/833651349.db2.gz BBNKERUQOKBHBH-CIUDSAMLSA-N -1 0 320.367 -0.290 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2C(F)(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001182321104 833669350 /nfs/dbraw/zinc/66/93/50/833669350.db2.gz LLUIWAKPELWUCX-KCDKBNATSA-N -1 0 316.257 -0.297 20 0 DBADRM NC(=O)[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001182376663 833671963 /nfs/dbraw/zinc/67/19/63/833671963.db2.gz HRAMAAOJMKWEGF-JGVFFNPUSA-N -1 0 309.303 -0.821 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)C1CC(OC)(OC)C1 ZINC001182473915 833678759 /nfs/dbraw/zinc/67/87/59/833678759.db2.gz FIKBVNNNEQDVGW-VIFPVBQESA-N -1 0 303.311 -0.092 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)C(=O)C1CC1 ZINC001182671602 833686223 /nfs/dbraw/zinc/68/62/23/833686223.db2.gz MLELDUUOEKPFOU-JTQLQIEISA-N -1 0 322.321 -0.993 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)CC(=O)NCc1n[nH]c(=O)[n-]1 ZINC001182696857 833687131 /nfs/dbraw/zinc/68/71/31/833687131.db2.gz WEUHHHLYVSQEBB-ZETCQYMHSA-N -1 0 315.330 -0.598 20 0 DBADRM N=C(NC(=O)CCC1OCCO1)SCCS(=O)(=O)[O-] ZINC001182731965 833687582 /nfs/dbraw/zinc/68/75/82/833687582.db2.gz FZHLNBSOJXSLHQ-UHFFFAOYSA-N -1 0 312.369 -0.189 20 0 DBADRM C[C@]1(O)C=C[C@@H](O)C(C(=O)n2[n-]c3ccnc(=O)c-3c2N)=C1 ZINC001183547772 833721856 /nfs/dbraw/zinc/72/18/56/833721856.db2.gz LOQFIPYGNCMYKP-OTYXRUKQSA-N -1 0 302.290 -0.493 20 0 DBADRM O=C(Cn1cc(F)c(=O)[nH]c1=O)N1CCc2nccn2CC1 ZINC001183659997 833727079 /nfs/dbraw/zinc/72/70/79/833727079.db2.gz LVKUCUFQSZZARL-UHFFFAOYSA-N -1 0 307.285 -0.631 20 0 DBADRM CN1CCN(C(=O)COc2ccc(OCC(=O)[O-])cc2)CC1=O ZINC001183903507 833741145 /nfs/dbraw/zinc/74/11/45/833741145.db2.gz MHPVDLTVVDQATA-UHFFFAOYSA-N -1 0 322.317 -0.171 20 0 DBADRM O=C([O-])COc1ccc(OCC(=O)NC[C@H]2CNC(=O)O2)cc1 ZINC001183913052 833741993 /nfs/dbraw/zinc/74/19/93/833741993.db2.gz MPVGPPGXJMJDCF-NSHDSACASA-N -1 0 324.289 -0.247 20 0 DBADRM O=C([O-])COc1ccc(OCC(=O)NC[C@@H]2CNC(=O)O2)cc1 ZINC001183913051 833742343 /nfs/dbraw/zinc/74/23/43/833742343.db2.gz MPVGPPGXJMJDCF-LLVKDONJSA-N -1 0 324.289 -0.247 20 0 DBADRM CS(=O)(=O)Nc1cccc(CC(=O)N[C@@H]2CO[N-]C2=O)c1 ZINC001184011962 833745259 /nfs/dbraw/zinc/74/52/59/833745259.db2.gz AQPDHSNNFJBXCE-SNVBAGLBSA-N -1 0 313.335 -0.853 20 0 DBADRM O=C(NCS(=O)(=O)[O-])[C@H]1COCCN1Cc1ccccc1 ZINC001184019430 833745292 /nfs/dbraw/zinc/74/52/92/833745292.db2.gz OZXWYVWMAXDPIB-GFCCVEGCSA-N -1 0 314.363 -0.151 20 0 DBADRM COc1cc(CC(=O)C(=O)NCS(=O)(=O)[O-])ccc1O ZINC001184254336 833754054 /nfs/dbraw/zinc/75/40/54/833754054.db2.gz NPVMFRQBADVCSO-UHFFFAOYSA-N -1 0 303.292 -0.526 20 0 DBADRM CSc1ncc([O-])c(C(=O)N2CCN3C(=O)COC[C@@H]3C2)n1 ZINC001185176856 833782459 /nfs/dbraw/zinc/78/24/59/833782459.db2.gz OHBQZKPMNWTMFN-QMMMGPOBSA-N -1 0 324.362 -0.413 20 0 DBADRM N[C@@H]1NCN(C(=O)C=C([O-])c2ccccc2Cl)[C@H]2NCN[C@H]21 ZINC001185444127 833795023 /nfs/dbraw/zinc/79/50/23/833795023.db2.gz OTXYNSZJHAJDLK-BFHYXJOUSA-N -1 0 323.784 -0.568 20 0 DBADRM N#CN1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001185597192 833799826 /nfs/dbraw/zinc/79/98/26/833799826.db2.gz JURAKCHJDBRMLJ-UHFFFAOYSA-N -1 0 319.350 -0.346 20 0 DBADRM O=C(CN1CC[C@@H](O)C1)Nc1nc[n-]c(=O)c1Br ZINC001186035136 833822105 /nfs/dbraw/zinc/82/21/05/833822105.db2.gz GWQVTRPGTVELLI-ZCFIWIBFSA-N -1 0 317.143 -0.050 20 0 DBADRM CN(C[C@@H](O)CO)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186158944 833835987 /nfs/dbraw/zinc/83/59/87/833835987.db2.gz LUEDXKXEUWKHMB-SSDOTTSWSA-N -1 0 307.299 -0.502 20 0 DBADRM C[C@H]1[C@H](NC(=O)NCCC(F)(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001187028744 833895217 /nfs/dbraw/zinc/89/52/17/833895217.db2.gz OBGCWJUCTNFBPF-WHFBIAKZSA-N -1 0 319.261 -0.360 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)c1ccccc1-c1nn[nH]n1 ZINC001187006857 833896259 /nfs/dbraw/zinc/89/62/59/833896259.db2.gz KHKXFACFECQQEN-JTQLQIEISA-N -1 0 304.291 -0.094 20 0 DBADRM COCCN1CCc2cc(C(=O)N=c3nn[n-]n3C)[nH]c2C1 ZINC001276889934 833907801 /nfs/dbraw/zinc/90/78/01/833907801.db2.gz QNLQBOYDSSRGEF-UHFFFAOYSA-N -1 0 305.342 -0.783 20 0 DBADRM CCOCCS(=O)(=O)[N-]c1ncnc2c1ncn2CCO ZINC001187246247 833911616 /nfs/dbraw/zinc/91/16/16/833911616.db2.gz LUABYBZBMFCVSN-UHFFFAOYSA-N -1 0 315.355 -0.403 20 0 DBADRM Cc1oncc1S(=O)(=O)[N-]c1ncnc2c1ncn2CCO ZINC001187335257 833919398 /nfs/dbraw/zinc/91/93/98/833919398.db2.gz VXXQBNPURBYODY-UHFFFAOYSA-N -1 0 324.322 -0.084 20 0 DBADRM C[C@@H]1C[C@@H]1CN1CCc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001277135263 833927925 /nfs/dbraw/zinc/92/79/25/833927925.db2.gz XTGJUKDHAULBLU-RKDXNWHRSA-N -1 0 316.369 -0.379 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CC2(CN(CCn3ccnc3)C2)C1 ZINC001277167069 833930167 /nfs/dbraw/zinc/93/01/67/833930167.db2.gz GKIBBGDJIINRSA-UHFFFAOYSA-N -1 0 322.394 -0.387 20 0 DBADRM CN1CCO[C@@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1 ZINC001277167233 833931027 /nfs/dbraw/zinc/93/10/27/833931027.db2.gz NCBOZEWDGJYDIN-LBPRGKRZSA-N -1 0 300.384 -0.105 20 0 DBADRM C[C@@H]1Cc2nnc(C(N)=O)n2CC[N@@H+]1Cc1ncccc1O ZINC001277316276 833943851 /nfs/dbraw/zinc/94/38/51/833943851.db2.gz PYHGEURLDIFRAQ-SECBINFHSA-N -1 0 302.338 -0.076 20 0 DBADRM C[C@@H](O)Cn1cnc2c1ncnc2[N-]S(=O)(=O)c1c[nH]cn1 ZINC001187731011 833945439 /nfs/dbraw/zinc/94/54/39/833945439.db2.gz WALUCZIXPWFEFV-SSDOTTSWSA-N -1 0 323.338 -0.269 20 0 DBADRM NC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(F)nc2F)on1 ZINC001188141477 833970309 /nfs/dbraw/zinc/97/03/09/833970309.db2.gz SDPFBCYBAZZWCQ-UHFFFAOYSA-N -1 0 318.261 -0.075 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(Cc1ncco1)C2 ZINC001277577244 833971442 /nfs/dbraw/zinc/97/14/42/833971442.db2.gz ZGAIXQJUKXKLTQ-UHFFFAOYSA-N -1 0 315.297 -0.889 20 0 DBADRM COc1cscc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001188313288 833976357 /nfs/dbraw/zinc/97/63/57/833976357.db2.gz WYAAMUKEBCSHIB-XNCJUZBTSA-N -1 0 320.348 -0.111 20 0 DBADRM Cn1nncc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001188496223 833989125 /nfs/dbraw/zinc/98/91/25/833989125.db2.gz OOEQADQZRAQCHC-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccncc1[O-] ZINC001188629436 833996371 /nfs/dbraw/zinc/99/63/71/833996371.db2.gz JXLUDOMDVQNIKY-JTQLQIEISA-N -1 0 307.306 -0.319 20 0 DBADRM COCc1ccc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)o1 ZINC001189266232 834063584 /nfs/dbraw/zinc/06/35/84/834063584.db2.gz PHCIZHWZOAESRY-RCOVLWMOSA-N -1 0 318.307 -0.442 20 0 DBADRM CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001189664761 834103689 /nfs/dbraw/zinc/10/36/89/834103689.db2.gz RNKFXCQWZWKBIP-SNVBAGLBSA-N -1 0 309.370 -0.294 20 0 DBADRM CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001189664759 834104374 /nfs/dbraw/zinc/10/43/74/834104374.db2.gz RNKFXCQWZWKBIP-JTQLQIEISA-N -1 0 309.370 -0.294 20 0 DBADRM O=C(N[C@H]1CCS(=O)(=O)C1)c1ccccc1S(=O)(=O)[O-] ZINC001189698768 834106365 /nfs/dbraw/zinc/10/63/65/834106365.db2.gz KCUCGSBBACYKJC-QMMMGPOBSA-N -1 0 319.360 -0.150 20 0 DBADRM O=C(NC[C@@H]1CNC(=O)CO1)c1ccccc1S(=O)(=O)[O-] ZINC001189699242 834106631 /nfs/dbraw/zinc/10/66/31/834106631.db2.gz RAGUONCKAPYVEA-QMMMGPOBSA-N -1 0 314.319 -0.822 20 0 DBADRM CCNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001189779496 834111183 /nfs/dbraw/zinc/11/11/83/834111183.db2.gz SRDLGGNEXBFHQN-SECBINFHSA-N -1 0 310.358 -0.931 20 0 DBADRM CCCn1ccc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001189829359 834114766 /nfs/dbraw/zinc/11/47/66/834114766.db2.gz KNZWDGQQHMDPKV-CBAPKCEASA-N -1 0 316.339 -0.575 20 0 DBADRM COC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CO[N-]C1=O ZINC001189849242 834117943 /nfs/dbraw/zinc/11/79/43/834117943.db2.gz MJIVECREMXAFLM-WDEREUQCSA-N -1 0 307.306 -0.500 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cnc(N(C)C)nc1 ZINC001189850833 834118139 /nfs/dbraw/zinc/11/81/39/834118139.db2.gz GVEOFDAMSJJGOT-VIFPVBQESA-N -1 0 310.310 -0.321 20 0 DBADRM CS(=O)(=O)CC[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190136166 834142637 /nfs/dbraw/zinc/14/26/37/834142637.db2.gz VQMATBMMDYCKBW-UHFFFAOYSA-N -1 0 300.308 -0.317 20 0 DBADRM CN1CCO[C@H](C[N-]S(=O)(=O)c2ncc(F)cc2F)C1 ZINC001190190430 834145857 /nfs/dbraw/zinc/14/58/57/834145857.db2.gz UQGHBJYHLWXPHK-SECBINFHSA-N -1 0 307.322 -0.031 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CC(=O)N(C)C1=O ZINC001190238209 834149074 /nfs/dbraw/zinc/14/90/74/834149074.db2.gz MOZPPLQOYUORDP-SSDOTTSWSA-N -1 0 311.385 -0.914 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190402550 834155869 /nfs/dbraw/zinc/15/58/69/834155869.db2.gz CJHAUOSDTKVNGX-SSDOTTSWSA-N -1 0 313.253 -0.084 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2ncc[n-]2)Cc2nnn(C)c21 ZINC001190699365 834181626 /nfs/dbraw/zinc/18/16/26/834181626.db2.gz WUYVFFJWIJFXDP-QMMMGPOBSA-N -1 0 312.355 -0.527 20 0 DBADRM O=C1COCC2(CCN(S(=O)(=O)c3ncc[n-]3)CC2)N1 ZINC001190698827 834181761 /nfs/dbraw/zinc/18/17/61/834181761.db2.gz PLNVZXSZHUKXQH-UHFFFAOYSA-N -1 0 300.340 -0.921 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1C[C@](O)(C(F)(F)F)C[C@H]1CO ZINC001190694086 834181779 /nfs/dbraw/zinc/18/17/79/834181779.db2.gz GLBDTICFSONJCF-XPUUQOCRSA-N -1 0 315.273 -0.542 20 0 DBADRM COc1ccnc(N2CCN(S(=O)(=O)c3ncc[n-]3)CC2)n1 ZINC001190708127 834182810 /nfs/dbraw/zinc/18/28/10/834182810.db2.gz WDRBVQVHNBNKGC-UHFFFAOYSA-N -1 0 324.366 -0.281 20 0 DBADRM CS(=O)(=O)n1cc2c(n1)CN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190715403 834184353 /nfs/dbraw/zinc/18/43/53/834184353.db2.gz WQHBQKYLIJRRIS-UHFFFAOYSA-N -1 0 317.352 -0.882 20 0 DBADRM CCOC(=O)C[C@H](NS(=O)(=O)c1ncc[n-]1)C(=O)OCC ZINC001190746398 834187939 /nfs/dbraw/zinc/18/79/39/834187939.db2.gz UONJSSUOJZYMCY-QMMMGPOBSA-N -1 0 319.339 -0.427 20 0 DBADRM CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)c1ncc[n-]1)C(N)=O ZINC001190758402 834188651 /nfs/dbraw/zinc/18/86/51/834188651.db2.gz RJXJXBKTWRERCK-ZETCQYMHSA-N -1 0 318.355 -0.726 20 0 DBADRM O=C(NC1C(=O)N=CN=C1[O-])c1cncc(N2CCOCC2)n1 ZINC001190760331 834188821 /nfs/dbraw/zinc/18/88/21/834188821.db2.gz VHHWMVFUICKNIQ-UHFFFAOYSA-N -1 0 318.293 -0.233 20 0 DBADRM O=S(=O)(N[C@H]1Oc2ccc(CCO)cc2O1)c1ncc[n-]1 ZINC001190758132 834188863 /nfs/dbraw/zinc/18/88/63/834188863.db2.gz MCIFWSODSYYDTQ-LBPRGKRZSA-N -1 0 311.319 -0.022 20 0 DBADRM O=C(C=Cc1ccco1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001190767541 834190045 /nfs/dbraw/zinc/19/00/45/834190045.db2.gz DBASCZARHNVMRZ-YIZUVKHSSA-N -1 0 319.321 -0.522 20 0 DBADRM O=C(CCc1ccco1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191019044 834214005 /nfs/dbraw/zinc/21/40/05/834214005.db2.gz JLSPSGQUKHOQIU-GHMZBOCLSA-N -1 0 321.337 -0.603 20 0 DBADRM C[C@H]1[C@H](NC(=O)Nc2ccccn2)C(=O)N1S(=O)(=O)[O-] ZINC001191351731 834245062 /nfs/dbraw/zinc/24/50/62/834245062.db2.gz YWMATEQJVIJOBX-XPUUQOCRSA-N -1 0 300.296 -0.395 20 0 DBADRM CCc1cc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nn1C ZINC001191654724 834275527 /nfs/dbraw/zinc/27/55/27/834275527.db2.gz KMJVLFNZJSZXSG-RCOVLWMOSA-N -1 0 316.339 -0.886 20 0 DBADRM COc1ccsc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001191765311 834288943 /nfs/dbraw/zinc/28/89/43/834288943.db2.gz ARPTXJYADYBWRP-FSPLSTOPSA-N -1 0 320.348 -0.111 20 0 DBADRM O=C([O-])CCc1ccc(S(=O)(=O)NCC2(O)COC2)cc1 ZINC001192149876 834336159 /nfs/dbraw/zinc/33/61/59/834336159.db2.gz ZQBMBVIJNKCNAF-UHFFFAOYSA-N -1 0 315.347 -0.257 20 0 DBADRM O=C([O-])CCc1ccc(S(=O)(=O)NC2(CO)COC2)cc1 ZINC001192155731 834337021 /nfs/dbraw/zinc/33/70/21/834337021.db2.gz JAPHVTLJKROAJF-UHFFFAOYSA-N -1 0 315.347 -0.257 20 0 DBADRM O=C(CCC1CCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001192154794 834338379 /nfs/dbraw/zinc/33/83/79/834338379.db2.gz HQORHKJZCNMQHZ-GHMZBOCLSA-N -1 0 309.370 -0.248 20 0 DBADRM CCC(=CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)CC ZINC001192206280 834340569 /nfs/dbraw/zinc/34/05/69/834340569.db2.gz QSTKILIATDJYRC-GHMZBOCLSA-N -1 0 309.370 -0.082 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CC[NH3+])c1 ZINC001237741709 834345977 /nfs/dbraw/zinc/34/59/77/834345977.db2.gz GKFWUHMGXIRBLD-UHFFFAOYSA-N -1 0 323.396 -0.657 20 0 DBADRM COC(=O)[C@H]1C(=O)NCCN1Cc1ccc(F)cc1C(=O)[O-] ZINC001238239954 834350599 /nfs/dbraw/zinc/35/05/99/834350599.db2.gz CPTWLBGRZQNHTP-LLVKDONJSA-N -1 0 310.281 -0.003 20 0 DBADRM COC(=O)c1ccc([O-])c(C(=O)NC[C@@H]2CNC(=O)CO2)c1 ZINC001192395386 834369858 /nfs/dbraw/zinc/36/98/58/834369858.db2.gz GLQGHDHJJSVUOT-VIFPVBQESA-N -1 0 308.290 -0.576 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnccc1Cl)C(=O)NCC(N)=O ZINC001192924365 834441617 /nfs/dbraw/zinc/44/16/17/834441617.db2.gz AGLLPVWXGZTQDX-LURJTMIESA-N -1 0 320.758 -0.997 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001193064094 834458125 /nfs/dbraw/zinc/45/81/25/834458125.db2.gz CTJHDVNMDYDYNI-LURJTMIESA-N -1 0 310.353 -0.443 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)NCC(=O)CCC(=O)[O-] ZINC001193085880 834460806 /nfs/dbraw/zinc/46/08/06/834460806.db2.gz RGIUKBSUKUOALM-UHFFFAOYSA-N -1 0 309.340 -0.319 20 0 DBADRM Cn1[n-]nnc1=NC(=S)Nc1ccc(N2CCOCC2)nc1 ZINC001247466730 834470702 /nfs/dbraw/zinc/47/07/02/834470702.db2.gz GGIRNGDVHKZASF-UHFFFAOYSA-N -1 0 320.382 -0.328 20 0 DBADRM CC(C)(C)OC(=O)NCCNC(=S)NCS(=O)(=O)[O-] ZINC001248100737 834473501 /nfs/dbraw/zinc/47/35/01/834473501.db2.gz QILPLEFSHWCQBK-UHFFFAOYSA-N -1 0 313.401 -0.180 20 0 DBADRM CN(CCO)c1cc([N-]S(=O)(=O)C[C@H]2CCCO2)ncn1 ZINC001193207683 834475332 /nfs/dbraw/zinc/47/53/32/834475332.db2.gz OARUDVBJVFBDGI-SNVBAGLBSA-N -1 0 316.383 -0.174 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H](O)COc1ccc(F)cc1 ZINC001251349842 834497910 /nfs/dbraw/zinc/49/79/10/834497910.db2.gz IXNIMNBXKFOEPP-SNVBAGLBSA-N -1 0 315.301 -0.458 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H](CO)c1ccc(OC)cc1 ZINC001251350331 834498365 /nfs/dbraw/zinc/49/83/65/834498365.db2.gz UTFPDDHXUXECOG-NSHDSACASA-N -1 0 311.338 -0.252 20 0 DBADRM CC(=O)N1CCC[C@@]2(C1)CN(C(=O)c1cc(=O)[nH][n-]1)CCO2 ZINC001193466614 834499851 /nfs/dbraw/zinc/49/98/51/834499851.db2.gz BEYOGZLGGSBPGE-CQSZACIVSA-N -1 0 308.338 -0.031 20 0 DBADRM Cn1ccnc1S(=O)(=O)NCC[N-]C(=O)C(F)(F)F ZINC001193613797 834515244 /nfs/dbraw/zinc/51/52/44/834515244.db2.gz MOEMKGZTJNHEGG-UHFFFAOYSA-N -1 0 300.262 -0.623 20 0 DBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC[C@H](O)CO)cc1 ZINC001252067693 834525040 /nfs/dbraw/zinc/52/50/40/834525040.db2.gz JWHOJLQVKCIEMD-VIFPVBQESA-N -1 0 304.324 -0.504 20 0 DBADRM COCCOC[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001252264957 834526865 /nfs/dbraw/zinc/52/68/65/834526865.db2.gz YZGXHBFBJMZVKM-VIFPVBQESA-N -1 0 309.326 -0.761 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1ccc(F)c([O-])c1F ZINC001193794168 834533466 /nfs/dbraw/zinc/53/34/66/834533466.db2.gz ZJIZTXVFENURQC-UHFFFAOYSA-N -1 0 302.233 -0.311 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccccc1N ZINC001193946937 834549484 /nfs/dbraw/zinc/54/94/84/834549484.db2.gz QIFBBPOEVFDHGC-VIFPVBQESA-N -1 0 316.335 -0.047 20 0 DBADRM CS(=O)(=O)c1cncc(C(=O)NC2C(=O)N=CN=C2[O-])c1 ZINC001194121898 834568698 /nfs/dbraw/zinc/56/86/98/834568698.db2.gz VPCJJJMJDGPWKG-UHFFFAOYSA-N -1 0 310.291 -0.061 20 0 DBADRM CCn1c(N)c(NC(=O)c2cc(=O)n(C)[n-]2)c(=O)n(CC)c1=O ZINC001194202483 834575765 /nfs/dbraw/zinc/57/57/65/834575765.db2.gz JONZLRKSBFVTQY-UHFFFAOYSA-N -1 0 322.325 -0.677 20 0 DBADRM COC(=O)c1cn2c(n1)CN(C(=O)c1cc(=O)n(C)[n-]1)CC2 ZINC001194199641 834576454 /nfs/dbraw/zinc/57/64/54/834576454.db2.gz FOMOMCAXRBZPQC-UHFFFAOYSA-N -1 0 305.294 -0.235 20 0 DBADRM CCc1c(NC(=O)c2cc(C(=O)OC)[n-]n2)c(C(N)=O)nn1C ZINC001194283624 834585242 /nfs/dbraw/zinc/58/52/42/834585242.db2.gz NTHSLPBQVNAVBU-UHFFFAOYSA-N -1 0 320.309 -0.157 20 0 DBADRM COC(=O)c1cc(C(=O)Nc2n[nH]c(SC)c2C(N)=O)n[n-]1 ZINC001194284147 834585424 /nfs/dbraw/zinc/58/54/24/834585424.db2.gz SOEZASKOXDDZQU-UHFFFAOYSA-N -1 0 324.322 -0.008 20 0 DBADRM O=C([O-])CCCCn1cc(CN2CCS(=O)(=O)CC2)nn1 ZINC001254081598 834586764 /nfs/dbraw/zinc/58/67/64/834586764.db2.gz MRBLBUWDFXAWEM-UHFFFAOYSA-N -1 0 316.383 -0.237 20 0 DBADRM COC(=O)c1cn(CCc2cn(C3(C(=O)[O-])CC3)nn2)nn1 ZINC001254095219 834587058 /nfs/dbraw/zinc/58/70/58/834587058.db2.gz LQMHZPJIMSTXBZ-UHFFFAOYSA-N -1 0 306.282 -0.527 20 0 DBADRM COc1ccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cc1F ZINC001254159344 834590041 /nfs/dbraw/zinc/59/00/41/834590041.db2.gz CONZQFJGCWJVHF-UHFFFAOYSA-N -1 0 309.257 -0.087 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N[C@@H]2CO[N-]C2=O)ccc1F ZINC001194389496 834594996 /nfs/dbraw/zinc/59/49/96/834594996.db2.gz FJMVFVNWNBCXTB-MRVPVSSYSA-N -1 0 302.283 -0.611 20 0 DBADRM C[C@@H](CN(C)C(=O)CCCN1C(=O)CNC1=O)c1nnn[n-]1 ZINC001254760994 834602554 /nfs/dbraw/zinc/60/25/54/834602554.db2.gz IOOKSMVDOXEIAU-QMMMGPOBSA-N -1 0 309.330 -0.906 20 0 DBADRM COCCc1ccccc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001255556780 834612227 /nfs/dbraw/zinc/61/22/27/834612227.db2.gz FONOJCSDILAIKT-UHFFFAOYSA-N -1 0 319.321 -0.046 20 0 DBADRM CCCNC(=O)c1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1 ZINC001255530615 834612598 /nfs/dbraw/zinc/61/25/98/834612598.db2.gz GXGDKQOTONJRTG-UHFFFAOYSA-N -1 0 322.321 -0.702 20 0 DBADRM CCOC(=O)N1CC[C@H](N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)C1 ZINC001256014656 834618914 /nfs/dbraw/zinc/61/89/14/834618914.db2.gz POVDQLZYTQHZGR-CIUDSAMLSA-N -1 0 321.355 -0.791 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001256261803 834622573 /nfs/dbraw/zinc/62/25/73/834622573.db2.gz DLMRPMROFBBBKN-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N[C@@H](C)CC(=O)N1CCOCC1 ZINC001256322072 834623839 /nfs/dbraw/zinc/62/38/39/834623839.db2.gz WJROSDWIGXCOLC-QWRGUYRKSA-N -1 0 316.354 -0.380 20 0 DBADRM C[C@H](CC(F)F)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001194789912 834632749 /nfs/dbraw/zinc/63/27/49/834632749.db2.gz SMQMCMVDAFJHCH-BWZBUEFSSA-N -1 0 319.312 -0.537 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnccn1)c1cnn2ccncc12 ZINC001256696613 834633794 /nfs/dbraw/zinc/63/37/94/834633794.db2.gz HDLIUZWMZHADNO-UHFFFAOYSA-N -1 0 304.291 -0.362 20 0 DBADRM Cc1cnc(C)c(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001194922144 834642370 /nfs/dbraw/zinc/64/23/70/834642370.db2.gz UKQACTGFYNBEKH-CBAPKCEASA-N -1 0 314.323 -0.775 20 0 DBADRM Cc1nn(C)c(C)c1CNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001257118014 834642641 /nfs/dbraw/zinc/64/26/41/834642641.db2.gz DHIOCLPPUFDMGW-NSHDSACASA-N -1 0 310.354 -0.263 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC2(O)COC2)c(F)cc1F ZINC001195247818 834666546 /nfs/dbraw/zinc/66/65/46/834666546.db2.gz XDMUONXWMXGFTL-UHFFFAOYSA-N -1 0 323.273 -0.297 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC(CO)CO)c(F)cc1F ZINC001195248920 834666947 /nfs/dbraw/zinc/66/69/47/834666947.db2.gz KODGFOXDTSFTSO-UHFFFAOYSA-N -1 0 311.262 -0.706 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC(=O)CCO)c(F)cc1F ZINC001195257851 834666975 /nfs/dbraw/zinc/66/69/75/834666975.db2.gz JHDGFAHDUUDDBS-UHFFFAOYSA-N -1 0 323.273 -0.107 20 0 DBADRM C[C@H]1CN(CCc2nnc(-c3c[nH]c(=O)c(=O)[n-]3)o2)C[C@H](C)O1 ZINC001258131030 834670524 /nfs/dbraw/zinc/67/05/24/834670524.db2.gz OZOPXZFBCLTJLO-IUCAKERBSA-N -1 0 321.337 -0.235 20 0 DBADRM CC(C)=C(C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001195345619 834677374 /nfs/dbraw/zinc/67/73/74/834677374.db2.gz USPNITGVKMOCFU-GHMZBOCLSA-N -1 0 309.370 -0.082 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cnccc1C(N)=O ZINC001195440888 834688052 /nfs/dbraw/zinc/68/80/52/834688052.db2.gz LBPWCAZECNTDNN-VIFPVBQESA-N -1 0 309.278 -0.683 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]c2cc(N3CCOCC3)ncn2)c1 ZINC001258993495 834690294 /nfs/dbraw/zinc/69/02/94/834690294.db2.gz UWLFHMJQKSFDLM-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1nc(C)cc(C)c1C(N)=O ZINC001259018064 834692378 /nfs/dbraw/zinc/69/23/78/834692378.db2.gz RJGKXPWMBMTFMB-UHFFFAOYSA-N -1 0 301.324 -0.288 20 0 DBADRM COC(=O)CS(=O)(=O)Nc1ccc2c(c1)C(=O)NCCO2 ZINC001259017475 834692641 /nfs/dbraw/zinc/69/26/41/834692641.db2.gz WZUINUDTQNYSNF-UHFFFAOYSA-N -1 0 314.319 -0.277 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cnc(OC2COC2)nc1 ZINC001259019170 834693138 /nfs/dbraw/zinc/69/31/38/834693138.db2.gz WUCLAFVHKCUCOE-UHFFFAOYSA-N -1 0 303.296 -0.831 20 0 DBADRM COC(=O)CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccncc1 ZINC001259031590 834697262 /nfs/dbraw/zinc/69/72/62/834697262.db2.gz QYPMEFDGRKJWPN-JTQLQIEISA-N -1 0 302.308 -0.612 20 0 DBADRM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC(=O)OC)C1CCOCC1 ZINC001259031255 834697586 /nfs/dbraw/zinc/69/75/86/834697586.db2.gz HNPBQNYFDBKPGW-NSHDSACASA-N -1 0 323.367 -0.563 20 0 DBADRM COC(=O)CS(=O)(=O)[N-][C@@H]1Oc2ccc(CCO)cc2O1 ZINC001259033490 834698962 /nfs/dbraw/zinc/69/89/62/834698962.db2.gz QZPYSVVANWTZDD-GFCCVEGCSA-N -1 0 317.319 -0.631 20 0 DBADRM Cc1c([N-]S(=O)(=O)C2CCOCC2)c(C(N)=O)nn1C ZINC001259908520 834712085 /nfs/dbraw/zinc/71/20/85/834712085.db2.gz SDRWIGBASXNWAY-UHFFFAOYSA-N -1 0 302.356 -0.252 20 0 DBADRM CNC(=O)c1nccnc1[N-]S(=O)(=O)C1CCOCC1 ZINC001259908967 834712682 /nfs/dbraw/zinc/71/26/82/834712682.db2.gz OGEMVMHFEJJFNY-UHFFFAOYSA-N -1 0 300.340 -0.243 20 0 DBADRM COC(=O)c1nc(Br)cnc1[N-]S(N)(=O)=O ZINC001260074190 834721783 /nfs/dbraw/zinc/72/17/83/834721783.db2.gz FVXVHZOCEKPDNF-UHFFFAOYSA-N -1 0 311.117 -0.359 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1nccnc1C(N)=O ZINC001260105549 834726079 /nfs/dbraw/zinc/72/60/79/834726079.db2.gz GEIOIGQEVCVHNI-UHFFFAOYSA-N -1 0 310.339 -0.273 20 0 DBADRM CC[C@H](O)C[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260177475 834729101 /nfs/dbraw/zinc/72/91/01/834729101.db2.gz FRQSZASZCBXVOO-LURJTMIESA-N -1 0 305.747 -0.173 20 0 DBADRM CC(C)(CO)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260167236 834729181 /nfs/dbraw/zinc/72/91/81/834729181.db2.gz VDGJFYQWWGRYJM-UHFFFAOYSA-N -1 0 305.747 -0.173 20 0 DBADRM CN(C)CC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260166723 834729333 /nfs/dbraw/zinc/72/93/33/834729333.db2.gz IKKLSPPQHHGSLY-UHFFFAOYSA-N -1 0 304.763 -0.382 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)NCCN2C(=O)C=CC2=O)c1 ZINC001260191440 834730114 /nfs/dbraw/zinc/73/01/14/834730114.db2.gz AMDLQEKTDSZXMZ-UHFFFAOYSA-N -1 0 324.314 -0.412 20 0 DBADRM NC(=O)[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260187131 834730625 /nfs/dbraw/zinc/73/06/25/834730625.db2.gz BIALUQXWQWQKBN-WPRPVWTQSA-N -1 0 316.310 -0.029 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)NC2(CCO)COC2)c1 ZINC001260191534 834730667 /nfs/dbraw/zinc/73/06/67/834730667.db2.gz HZLRFKAEKWFPRG-UHFFFAOYSA-N -1 0 301.320 -0.186 20 0 DBADRM O=S(=O)([N-]C[C@@H]1CCO1)c1nc2nc(Cl)ccn2n1 ZINC001260178294 834730674 /nfs/dbraw/zinc/73/06/74/834730674.db2.gz BIRFFSHDJKGIJS-LURJTMIESA-N -1 0 303.731 -0.155 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)[C@@H](C)O ZINC001260192450 834730709 /nfs/dbraw/zinc/73/07/09/834730709.db2.gz LSTUCQITCNISLF-GMSGAONNSA-N -1 0 317.319 -0.415 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)c1 ZINC001260217883 834731731 /nfs/dbraw/zinc/73/17/31/834731731.db2.gz JYCQBAPAIIQNLE-NXEZZACHSA-N -1 0 319.310 -0.048 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)NC2(CCO)COC2)c1 ZINC001260217880 834731770 /nfs/dbraw/zinc/73/17/70/834731770.db2.gz JRSLVIKJZUJBME-UHFFFAOYSA-N -1 0 319.310 -0.046 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1c(OC)ncnc1OC ZINC001195938806 834737067 /nfs/dbraw/zinc/73/70/67/834737067.db2.gz CVSJSIIXQXCXSR-UHFFFAOYSA-N -1 0 305.312 -0.201 20 0 DBADRM COC(=O)c1ccncc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260584403 834737325 /nfs/dbraw/zinc/73/73/25/834737325.db2.gz ZGFKLSGVBUJDJN-UHFFFAOYSA-N -1 0 308.337 -0.388 20 0 DBADRM Cc1cc(C)c(C(N)=O)c([N-]S(=O)(=O)CS(C)(=O)=O)n1 ZINC001260584395 834737638 /nfs/dbraw/zinc/73/76/38/834737638.db2.gz YYYZZDHHAUKKBW-UHFFFAOYSA-N -1 0 321.380 -0.459 20 0 DBADRM Cc1cnn2cc([N-]S(=O)(=O)CS(C)(=O)=O)cnc12 ZINC001260584823 834737643 /nfs/dbraw/zinc/73/76/43/834737643.db2.gz YMLVXIWIFFEATI-UHFFFAOYSA-N -1 0 304.353 -0.218 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1nsnc1C(=O)OC ZINC001195941272 834737944 /nfs/dbraw/zinc/73/79/44/834737944.db2.gz ABULUPZJPLVFKJ-UHFFFAOYSA-N -1 0 309.325 -0.371 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cc(=O)[nH]c(N(C)C)n1 ZINC001195939329 834738106 /nfs/dbraw/zinc/73/81/06/834738106.db2.gz SCORTDWAEVYCEM-UHFFFAOYSA-N -1 0 304.328 -0.447 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1nnccc1C(=O)OC ZINC001195941810 834738193 /nfs/dbraw/zinc/73/81/93/834738193.db2.gz IJNLIIALEGDJPI-UHFFFAOYSA-N -1 0 303.296 -0.432 20 0 DBADRM CNC(=O)c1cc(NS(=O)(=O)CS(C)(=O)=O)ccc1F ZINC001260591936 834740410 /nfs/dbraw/zinc/74/04/10/834740410.db2.gz UELNSELQKLMPPY-UHFFFAOYSA-N -1 0 324.355 -0.071 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)NCc1ncc(F)cc1F ZINC001260594846 834741783 /nfs/dbraw/zinc/74/17/83/834741783.db2.gz JLKZSBZFOMYANX-UHFFFAOYSA-N -1 0 300.308 -0.219 20 0 DBADRM COC(=O)C1(NS(=O)(=O)CS(C)(=O)=O)CCCCC1 ZINC001260594555 834741819 /nfs/dbraw/zinc/74/18/19/834741819.db2.gz YAEOZGTZLMNDHN-UHFFFAOYSA-N -1 0 313.397 -0.216 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)NCC(=O)Cc1ccccc1 ZINC001260596079 834742966 /nfs/dbraw/zinc/74/29/66/834742966.db2.gz WXRXMIUXNCVDEY-UHFFFAOYSA-N -1 0 305.377 -0.280 20 0 DBADRM CCCC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CC1 ZINC001195990731 834743204 /nfs/dbraw/zinc/74/32/04/834743204.db2.gz LINRCDRQQBKJPG-NXEZZACHSA-N -1 0 309.370 -0.248 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-][C@H](C(=O)OCC)C(F)(F)F ZINC001195984775 834743318 /nfs/dbraw/zinc/74/33/18/834743318.db2.gz ZDYDGSZETWSBSQ-SSDOTTSWSA-N -1 0 321.273 -0.037 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-][C@@H]1COCCC12OCCO2 ZINC001195991922 834744964 /nfs/dbraw/zinc/74/49/64/834744964.db2.gz PZEUKUGKRCVLRF-SECBINFHSA-N -1 0 309.340 -0.999 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@@]2(CO)CCOC2)s1 ZINC001260711692 834745758 /nfs/dbraw/zinc/74/57/58/834745758.db2.gz QZTUSPPFDJMJAG-SNVBAGLBSA-N -1 0 321.380 -0.469 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NC2=CCOC2=O)s1 ZINC001260711563 834746222 /nfs/dbraw/zinc/74/62/22/834746222.db2.gz LNJRICCSFRBGJR-UHFFFAOYSA-N -1 0 303.321 -0.180 20 0 DBADRM O=S(=O)([N-]c1cc(N2CCOCC2)ncn1)c1cn[nH]c1 ZINC001260954155 834746667 /nfs/dbraw/zinc/74/66/67/834746667.db2.gz IBQFTLKRDRTZGA-UHFFFAOYSA-N -1 0 310.339 -0.163 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)N[C@@H]2CO[N-]C2=O)c1 ZINC001260846559 834746753 /nfs/dbraw/zinc/74/67/53/834746753.db2.gz AWOSGKBIRQMCFH-SECBINFHSA-N -1 0 300.292 -0.819 20 0 DBADRM C[C@@H](O)Cn1cnc2c1ncnc2[N-]S(=O)(=O)c1cn[nH]c1 ZINC001260954781 834748190 /nfs/dbraw/zinc/74/81/90/834748190.db2.gz XQIIXJGZIAGUQW-SSDOTTSWSA-N -1 0 323.338 -0.269 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1c(C(N)=O)c(C)nn1C ZINC001261023736 834749285 /nfs/dbraw/zinc/74/92/85/834749285.db2.gz CGSSRNWANGFHQD-UHFFFAOYSA-N -1 0 312.355 -0.032 20 0 DBADRM Nc1c2c(=O)nccc-2[n-]n1C(=O)c1c[nH]c(=S)[nH]c1=O ZINC001196026839 834749427 /nfs/dbraw/zinc/74/94/27/834749427.db2.gz JMIWHVPCQVDHHY-UHFFFAOYSA-N -1 0 304.291 -0.269 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)[N-]OCCC(F)(F)F)CCOC1 ZINC001261186393 834765995 /nfs/dbraw/zinc/76/59/95/834765995.db2.gz FUYPAPKHILENRK-SNVBAGLBSA-N -1 0 314.260 -0.092 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1ccc(N2CCOCC2=O)cc1 ZINC001196277225 834776064 /nfs/dbraw/zinc/77/60/64/834776064.db2.gz QWKXEAXWBOJURG-LLVKDONJSA-N -1 0 305.290 -0.790 20 0 DBADRM O=C1[N-]OC[C@H]1NS(=O)(=O)c1cccc(Br)n1 ZINC001196323287 834778811 /nfs/dbraw/zinc/77/88/11/834778811.db2.gz DRGHBUQRNKYEFD-RXMQYKEDSA-N -1 0 322.140 -0.448 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1cc(Cl)ncc1[O-])C(N)=O ZINC001196399714 834784291 /nfs/dbraw/zinc/78/42/91/834784291.db2.gz IUCFSPYAKZSSAP-ZETCQYMHSA-N -1 0 315.713 -0.023 20 0 DBADRM COCC1(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001196507892 834790569 /nfs/dbraw/zinc/79/05/69/834790569.db2.gz TUPNTRYZGGVFNK-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1 ZINC001261482481 834792155 /nfs/dbraw/zinc/79/21/55/834792155.db2.gz NSEWHJMSLZUVOT-UHFFFAOYSA-N -1 0 311.382 -0.136 20 0 DBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)NCCCC(=O)[O-] ZINC001261482543 834792170 /nfs/dbraw/zinc/79/21/70/834792170.db2.gz QFUSPAGUPQKIDA-UHFFFAOYSA-N -1 0 312.282 -0.874 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001261492340 834794903 /nfs/dbraw/zinc/79/49/03/834794903.db2.gz ZODASUHEWFFUMR-WDEREUQCSA-N -1 0 313.354 -0.612 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)CCCC(=O)[O-])CC1 ZINC001261503171 834795661 /nfs/dbraw/zinc/79/56/61/834795661.db2.gz OILWQHWVVCENTH-UHFFFAOYSA-N -1 0 300.311 -0.525 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N[C@H]2SC(=O)[N-]C2=O)nc1 ZINC001196720870 834799360 /nfs/dbraw/zinc/79/93/60/834799360.db2.gz XJPGGEZDMZUGSI-VIFPVBQESA-N -1 0 315.332 -0.476 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC001261525368 834800028 /nfs/dbraw/zinc/80/00/28/834800028.db2.gz BGEOUOXBZUVDOT-MRVPVSSYSA-N -1 0 310.397 -0.909 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(F)cc1F ZINC001261532180 834801465 /nfs/dbraw/zinc/80/14/65/834801465.db2.gz FFLPPGLNLBXFND-UHFFFAOYSA-N -1 0 315.276 -0.235 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1SC ZINC001261541301 834804265 /nfs/dbraw/zinc/80/42/65/834804265.db2.gz FSUXIOJURWBQNR-NXEZZACHSA-N -1 0 317.411 -0.039 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001196753941 834804903 /nfs/dbraw/zinc/80/49/03/834804903.db2.gz PCJCEKUKKJNCCO-SECBINFHSA-N -1 0 310.358 -0.944 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](n2ccnc2)C1 ZINC001261543864 834805796 /nfs/dbraw/zinc/80/57/96/834805796.db2.gz ZBBZDTPWJQLOCI-NSHDSACASA-N -1 0 323.353 -0.770 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@@H](SC)C1 ZINC001261543534 834805810 /nfs/dbraw/zinc/80/58/10/834805810.db2.gz QOXBVTPSCBLLOX-SNVBAGLBSA-N -1 0 317.411 -0.086 20 0 DBADRM COC[C@H](OC)C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001197110467 834833784 /nfs/dbraw/zinc/83/37/84/834833784.db2.gz JFLKIQIIUPFCGM-JTQLQIEISA-N -1 0 313.358 -0.794 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2nnnn2C)ccc1O ZINC001197201210 834846559 /nfs/dbraw/zinc/84/65/59/834846559.db2.gz ZRSFJFBTTYYUIA-UHFFFAOYSA-N -1 0 313.295 -0.497 20 0 DBADRM CC(C)C[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001197244776 834850535 /nfs/dbraw/zinc/85/05/35/834850535.db2.gz ZGPNLXKBPBTNGA-HBNTYKKESA-N -1 0 311.386 -0.146 20 0 DBADRM COCCOCC[N@H+](CCO)Cc1cc(=O)n2[n-]ccc2n1 ZINC001261807904 834850606 /nfs/dbraw/zinc/85/06/06/834850606.db2.gz ITPCSZAIIZMGQV-UHFFFAOYSA-N -1 0 310.354 -0.520 20 0 DBADRM CN1C(=O)CN(NC(=O)c2cncc(N3CCCC3=O)c2)C1=O ZINC001261813851 834852574 /nfs/dbraw/zinc/85/25/74/834852574.db2.gz JBRJDBLZNOYVGD-UHFFFAOYSA-N -1 0 317.305 -0.253 20 0 DBADRM CNC(=O)C1(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001197440572 834866579 /nfs/dbraw/zinc/86/65/79/834866579.db2.gz GEXMKACDSXBCSH-UHFFFAOYSA-N -1 0 322.369 -0.929 20 0 DBADRM Cn1nc(CN2C[C@@H](O)[C@H](NC(=O)CCC3(C)CC3)C2)[n-]c1=O ZINC001197450393 834869806 /nfs/dbraw/zinc/86/98/06/834869806.db2.gz NELSNRZSVFQRKC-GHMZBOCLSA-N -1 0 323.397 -0.650 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC001261992485 834892425 /nfs/dbraw/zinc/89/24/25/834892425.db2.gz VWGRIWHINTVACL-MNSQCTGESA-N -1 0 310.350 -0.247 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001261992487 834893127 /nfs/dbraw/zinc/89/31/27/834893127.db2.gz VWGRIWHINTVACL-WXDOIIRRSA-N -1 0 310.350 -0.247 20 0 DBADRM COCCOCCS(=O)(=O)[N-][C@H](CCO)C(F)(F)F ZINC001262076820 834904028 /nfs/dbraw/zinc/90/40/28/834904028.db2.gz IDCWELYCHQKGED-MRVPVSSYSA-N -1 0 309.306 -0.118 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)c1cnn(-c2ncccn2)c1 ZINC001197837841 834908967 /nfs/dbraw/zinc/90/89/67/834908967.db2.gz MGSNLFNTHQMMDP-UHFFFAOYSA-N -1 0 303.278 -0.174 20 0 DBADRM CCOC(=O)CN1CCCN(C(=O)[C@@H](OC)C(=O)[O-])CC1 ZINC001262158771 834913682 /nfs/dbraw/zinc/91/36/82/834913682.db2.gz XMCZGYFYHXVKQA-LLVKDONJSA-N -1 0 302.327 -0.817 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1cncc(OCC(F)(F)F)n1 ZINC001198003382 834917825 /nfs/dbraw/zinc/91/78/25/834917825.db2.gz RSFKZYHPHBWHFZ-UHFFFAOYSA-N -1 0 315.229 -0.007 20 0 DBADRM CC[C@H](CNC(=O)C(=O)NCC(=O)[N-]OC)CC(F)(F)F ZINC001262289891 834928499 /nfs/dbraw/zinc/92/84/99/834928499.db2.gz OSZSOJQHOSEUFP-ZETCQYMHSA-N -1 0 313.276 -0.125 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC001262315448 834933110 /nfs/dbraw/zinc/93/31/10/834933110.db2.gz LSJOWFVSMQHXOR-BDAKNGLRSA-N -1 0 301.368 -0.723 20 0 DBADRM Cc1ncc(S(=O)(=O)[N-]c2c(C)n(C)nc2C(N)=O)n1C ZINC001198356728 834939912 /nfs/dbraw/zinc/93/99/12/834939912.db2.gz ZXSONDKUBGIPQF-UHFFFAOYSA-N -1 0 312.355 -0.330 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(N2CCCNC2=O)nc1 ZINC001198471068 834948753 /nfs/dbraw/zinc/94/87/53/834948753.db2.gz XULFGCBLNFQCBG-UHFFFAOYSA-N -1 0 317.309 -0.245 20 0 DBADRM Cn1c2ccc(C(=O)N[C@H]3SC(=O)[N-]C3=O)cc2n(C)c1=O ZINC001198512978 834950912 /nfs/dbraw/zinc/95/09/12/834950912.db2.gz VYIDMVSOUOCZQE-NSHDSACASA-N -1 0 320.330 -0.084 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1cc(NCC2CCOCC2)ccn1 ZINC001198536437 834953095 /nfs/dbraw/zinc/95/30/95/834953095.db2.gz PHVNUKPKXJAJCT-CYBMUJFWSA-N -1 0 320.349 -0.498 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CO1 ZINC001262547451 834957781 /nfs/dbraw/zinc/95/77/81/834957781.db2.gz WALUYXKLFIANGW-ZDDJMSTPSA-N -1 0 310.350 -0.151 20 0 DBADRM Cn1[n-]nnc1=NC(=S)Nc1ccc(S(N)(=O)=O)cc1 ZINC001199069142 834984548 /nfs/dbraw/zinc/98/45/48/834984548.db2.gz QPJRZPZXWHIGDQ-UHFFFAOYSA-N -1 0 313.368 -0.912 20 0 DBADRM O=C(NCc1nnn[n-]1)c1nccc(OCC2CCOCC2)n1 ZINC001199176854 834995657 /nfs/dbraw/zinc/99/56/57/834995657.db2.gz RTQJAJFQHMTETN-UHFFFAOYSA-N -1 0 319.325 -0.275 20 0 DBADRM COCCOc1ccnc(C(=O)N[C@H]2SC(=O)[N-]C2=O)n1 ZINC001199193245 834997168 /nfs/dbraw/zinc/99/71/68/834997168.db2.gz SHAJBXWOGKMCKX-JTQLQIEISA-N -1 0 312.307 -0.459 20 0 DBADRM COCCOc1ccnc(C(=O)[N-]c2ncnc3n[nH]nc32)n1 ZINC001199187991 834997297 /nfs/dbraw/zinc/99/72/97/834997297.db2.gz CYICEZPQEGSWSE-UHFFFAOYSA-N -1 0 316.281 -0.185 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1cnc(Oc2cccnc2)nc1 ZINC001199508616 835028547 /nfs/dbraw/zinc/02/85/47/835028547.db2.gz WXHCFSFUZQPGFG-SNVBAGLBSA-N -1 0 301.262 -0.176 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cnn2ccncc12 ZINC001199817804 835059836 /nfs/dbraw/zinc/05/98/36/835059836.db2.gz GIDPWUUUHIAWTN-VIFPVBQESA-N -1 0 306.278 -0.135 20 0 DBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)C1=CC=CC1 ZINC001199692978 835047793 /nfs/dbraw/zinc/04/77/93/835047793.db2.gz ICKUPONBWJNGOY-UHFFFAOYSA-N -1 0 313.295 -0.765 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cc(CCO)ccn1 ZINC001199764048 835052280 /nfs/dbraw/zinc/05/22/80/835052280.db2.gz OHRAKJWLFLUBRV-JTQLQIEISA-N -1 0 310.306 -0.247 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=S)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001199862180 835064912 /nfs/dbraw/zinc/06/49/12/835064912.db2.gz LJNZYMPQSMXWGH-SFYZADRCSA-N -1 0 320.367 -0.192 20 0 DBADRM CCOC(=O)[C@H](C)NC(=S)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001199862181 835065338 /nfs/dbraw/zinc/06/53/38/835065338.db2.gz LJNZYMPQSMXWGH-YUMQZZPRSA-N -1 0 320.367 -0.192 20 0 DBADRM O=C1[N-]C(=O)[C@H](NC(=S)NCCCN2CCOCC2)S1 ZINC001199953979 835073248 /nfs/dbraw/zinc/07/32/48/835073248.db2.gz RHCYBYPZPGSVFA-SECBINFHSA-N -1 0 318.424 -0.518 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]c1cnc(C(=O)OC)cn1 ZINC001201903761 835217124 /nfs/dbraw/zinc/21/71/24/835217124.db2.gz GKKNBUHLTBWWLD-UHFFFAOYSA-N -1 0 317.323 -0.042 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]c1c(C(N)=O)c(C)nn1C ZINC001201903822 835217573 /nfs/dbraw/zinc/21/75/73/835217573.db2.gz HXGFQCJPOHDFEH-UHFFFAOYSA-N -1 0 318.355 -0.478 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OC[C@@H]1CCCO1 ZINC001205985226 835372810 /nfs/dbraw/zinc/37/28/10/835372810.db2.gz MXFPBKNRDFFSNX-NWDGAFQWSA-N -1 0 309.384 -0.229 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCn1cncn1 ZINC001206053672 835376915 /nfs/dbraw/zinc/37/69/15/835376915.db2.gz OWUFWRFVIWOYPP-NXEZZACHSA-N -1 0 320.357 -0.871 20 0 DBADRM CN(CCNC(=O)c1cnon1)Cc1cc(=O)n2[n-]ccc2n1 ZINC001267223213 835463698 /nfs/dbraw/zinc/46/36/98/835463698.db2.gz FELBFYHFPLYVGO-UHFFFAOYSA-N -1 0 317.309 -0.733 20 0 DBADRM CC(C)COCCN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001268478390 835704862 /nfs/dbraw/zinc/70/48/62/835704862.db2.gz GWOQIIWDJIFFBA-UHFFFAOYSA-N -1 0 313.358 -0.838 20 0 DBADRM CCc1cc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)nn1C ZINC001268634775 835761478 /nfs/dbraw/zinc/76/14/78/835761478.db2.gz VAYMNXHECURJSW-SNAWJCMRSA-N -1 0 319.369 -0.118 20 0 DBADRM CN(CCC[NH2+]Cc1n[nH]c(=O)[n-]1)C(=O)CCc1c[nH]cn1 ZINC001268794876 835808730 /nfs/dbraw/zinc/80/87/30/835808730.db2.gz BKOIPGCUPWHHND-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1CC(=O)NCc1ccc(F)cc1 ZINC000321956584 970829371 /nfs/dbraw/zinc/82/93/71/970829371.db2.gz FAMVUDTVLYXMGI-GFCCVEGCSA-N -1 0 323.324 -0.283 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCN2CCC(O)CC2)c[nH]1 ZINC000322326878 970873233 /nfs/dbraw/zinc/87/32/33/970873233.db2.gz KXVWSQBKHDKDSP-UHFFFAOYSA-N -1 0 317.367 -0.552 20 0 DBADRM Cn1cc([C@H](NC(=O)COCC(=O)[O-])C2(CO)CCC2)cn1 ZINC001600940063 970884520 /nfs/dbraw/zinc/88/45/20/970884520.db2.gz TUMAOWPKALWLSE-ZDUSSCGKSA-N -1 0 311.338 -0.159 20 0 DBADRM CCOC(=O)[C@@H](N)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000322530478 970898999 /nfs/dbraw/zinc/89/89/99/970898999.db2.gz WOVIDLSFQFZUKD-NSHDSACASA-N -1 0 323.305 -0.670 20 0 DBADRM O=C([O-])c1ccc(CS(=O)(=O)N[C@@H]2COC[C@@H]2O)cc1 ZINC000323085396 970964839 /nfs/dbraw/zinc/96/48/39/970964839.db2.gz QUNXQNMTWVTOOS-MNOVXSKESA-N -1 0 301.320 -0.436 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)N[C@H]2CNC(=O)C2)cc1 ZINC000323216100 970977208 /nfs/dbraw/zinc/97/72/08/970977208.db2.gz OVQQMTGCRJZCKD-SNVBAGLBSA-N -1 0 320.305 -0.489 20 0 DBADRM O=C([O-])c1c(F)ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c1F ZINC000323393782 970999007 /nfs/dbraw/zinc/99/90/07/970999007.db2.gz JSHPATBRCBBVMN-RNFRBKRXSA-N -1 0 323.273 -0.299 20 0 DBADRM Cn1nnc(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)n1 ZINC000324167608 971092031 /nfs/dbraw/zinc/09/20/31/971092031.db2.gz DUQMQUHBNLIVQJ-UHFFFAOYSA-N -1 0 316.277 -0.123 20 0 DBADRM CC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573451751 945843237 /nfs/dbraw/zinc/84/32/37/945843237.db2.gz ZOPQCJJGDMLHLG-PSASIEDQSA-N -1 0 318.341 -0.874 20 0 DBADRM C[C@@H](N(C)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)(C)O ZINC001573586983 947296152 /nfs/dbraw/zinc/29/61/52/947296152.db2.gz VHCINOOFUIZBBX-JGVFFNPUSA-N -1 0 308.346 -0.363 20 0 DBADRM C[C@@H](C(=O)N(C)[C@@H](C)C(C)(C)O)n1cnc(-c2nnn[n-]2)n1 ZINC001573586985 947296496 /nfs/dbraw/zinc/29/64/96/947296496.db2.gz VHCINOOFUIZBBX-YUMQZZPRSA-N -1 0 308.346 -0.363 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H](CCCO)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573615789 947613632 /nfs/dbraw/zinc/61/36/32/947613632.db2.gz KNLDFCQBIDJMMI-VHSXEESVSA-N -1 0 320.357 -0.360 20 0 DBADRM C[C@@H]1CCC[C@@]1(O)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000328186991 971453459 /nfs/dbraw/zinc/45/34/59/971453459.db2.gz OXOOCSMUVKWESV-RDDDGLTNSA-N -1 0 303.340 -0.063 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CC12CCOCC2)n1cnc(-c2nnn[n-]2)n1 ZINC001573667461 948098569 /nfs/dbraw/zinc/09/85/69/948098569.db2.gz ZTYYYYBBCRXLTL-DTWKUNHWSA-N -1 0 318.341 -0.296 20 0 DBADRM CC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001573442790 948301030 /nfs/dbraw/zinc/30/10/30/948301030.db2.gz ZIAADAVMRBLURL-SNVBAGLBSA-N -1 0 302.342 -0.109 20 0 DBADRM C[C@H](C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1)C1CC1 ZINC001573718790 948521423 /nfs/dbraw/zinc/52/14/23/948521423.db2.gz SWPAZNXEAXIACL-QMMMGPOBSA-N -1 0 302.342 -0.347 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC001570918052 948567306 /nfs/dbraw/zinc/56/73/06/948567306.db2.gz JZEAWDXPRZZXOA-RMLUDKJBSA-N -1 0 316.321 -0.127 20 0 DBADRM C[C@@]1(CNC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CCC(=O)N1 ZINC001570918564 948575079 /nfs/dbraw/zinc/57/50/79/948575079.db2.gz RBFWIILHKPNNHT-AWEZNQCLSA-N -1 0 316.321 -0.029 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)c(C)n2)C1 ZINC001570919264 948585337 /nfs/dbraw/zinc/58/53/37/948585337.db2.gz QQTNLGNHGULJGI-SNVBAGLBSA-N -1 0 315.337 -0.079 20 0 DBADRM C[C@@H](C(=O)N[C@@H](CO)C(F)(F)F)n1cnc(-c2nnn[n-]2)n1 ZINC001573732077 948600151 /nfs/dbraw/zinc/60/01/51/948600151.db2.gz KWQUCUBMFJBGPT-WHFBIAKZSA-N -1 0 320.235 -0.941 20 0 DBADRM CC1(C)CC[C@@H]1NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001570921910 948630333 /nfs/dbraw/zinc/63/03/33/948630333.db2.gz QOFKNPLXOQZKBM-QMMMGPOBSA-N -1 0 319.325 -0.566 20 0 DBADRM CC[C@@H](C)[C@@](C)(O)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001570922639 948645394 /nfs/dbraw/zinc/64/53/94/948645394.db2.gz LBTTTYXQLYERNS-UHLUBPPHSA-N -1 0 323.357 -0.125 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(N)=O ZINC001570922583 948645851 /nfs/dbraw/zinc/64/58/51/948645851.db2.gz MMIBGYHUFBEEKZ-RNJXMRFFSA-N -1 0 321.345 -0.965 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CS1 ZINC001570922773 948646874 /nfs/dbraw/zinc/64/68/74/948646874.db2.gz NWXRRCHNZCVSGL-SFYZADRCSA-N -1 0 323.386 -0.349 20 0 DBADRM C[C@@H](C(=O)N[C@H](CO)C(F)(F)F)n1cnc(-c2nnn[n-]2)n1 ZINC001573742328 948660663 /nfs/dbraw/zinc/66/06/63/948660663.db2.gz KWQUCUBMFJBGPT-CRCLSJGQSA-N -1 0 320.235 -0.941 20 0 DBADRM CC[C@@H](CNCc1nccn1S(=O)(=O)N(C)C)C(=O)[O-] ZINC001589554610 948778103 /nfs/dbraw/zinc/77/81/03/948778103.db2.gz SWMNKKAENLJZAL-VIFPVBQESA-N -1 0 304.372 -0.262 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001589555204 948784855 /nfs/dbraw/zinc/78/48/55/948784855.db2.gz LIAHHFXMMAWQKR-UFBFGSQYSA-N -1 0 306.384 -0.069 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@H](CC)C(=O)[O-] ZINC001589555507 948789637 /nfs/dbraw/zinc/78/96/37/948789637.db2.gz UYEDXRZXEOJVSN-IUCAKERBSA-N -1 0 309.388 -0.276 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C(=O)OC ZINC001589557514 948797130 /nfs/dbraw/zinc/79/71/30/948797130.db2.gz HWWWXTCZRHJZGZ-UFBFGSQYSA-N -1 0 302.283 -0.700 20 0 DBADRM CC[C@](COC)(N[C@H]1CCN(CC(=O)[O-])C1=O)C(=O)OC ZINC001589558978 948804606 /nfs/dbraw/zinc/80/46/06/948804606.db2.gz YKHAIVZNPQHYAS-TVQRCGJNSA-N -1 0 302.327 -0.770 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1)C(=O)NC ZINC001589561771 948823348 /nfs/dbraw/zinc/82/33/48/948823348.db2.gz GIYNCIMRUZBTAP-SECBINFHSA-N -1 0 308.294 -0.641 20 0 DBADRM C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)N(C)C ZINC000037656844 948839844 /nfs/dbraw/zinc/83/98/44/948839844.db2.gz LHVPRQZCGRMFTB-QMMMGPOBSA-N -1 0 307.372 -0.906 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@@H]2COCCO2)CC1 ZINC000038061246 948852631 /nfs/dbraw/zinc/85/26/31/948852631.db2.gz YEUGPASOGBEDSP-SNVBAGLBSA-N -1 0 308.356 -0.967 20 0 DBADRM CCOC(=O)[C@H](C)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001570932620 948857374 /nfs/dbraw/zinc/85/73/74/948857374.db2.gz UZBDJAKYFVGODK-ZCFIWIBFSA-N -1 0 323.313 -0.723 20 0 DBADRM CC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC001589575834 948949016 /nfs/dbraw/zinc/94/90/16/948949016.db2.gz MSHOBEBQPVNBQF-VXNVDRBHSA-N -1 0 319.339 -0.507 20 0 DBADRM CC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC001589575826 948949235 /nfs/dbraw/zinc/94/92/35/948949235.db2.gz MSHOBEBQPVNBQF-CBAPKCEASA-N -1 0 319.339 -0.507 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC000347513738 971526415 /nfs/dbraw/zinc/52/64/15/971526415.db2.gz HQWBFJKMTDUUOC-SFGNSQDASA-N -1 0 302.352 -0.392 20 0 DBADRM CN(Cc1nc[nH]n1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000080521923 949007791 /nfs/dbraw/zinc/00/77/91/949007791.db2.gz WGDCCWAXIDZTJF-UHFFFAOYSA-N -1 0 303.344 -0.722 20 0 DBADRM O=C([O-])c1cc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)[nH]n1 ZINC000080669926 949012225 /nfs/dbraw/zinc/01/22/25/949012225.db2.gz MNISRFRDMNUFSA-ZCFIWIBFSA-N -1 0 319.364 -0.033 20 0 DBADRM O=C([O-])COCC(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081134251 949016041 /nfs/dbraw/zinc/01/60/41/949016041.db2.gz NZRXVIYXTCTNJT-UHFFFAOYSA-N -1 0 308.216 -0.260 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC=C[C@H]2CO)C1 ZINC001589584707 949031414 /nfs/dbraw/zinc/03/14/14/949031414.db2.gz UCTMVVKCAQLEMV-XHDPSFHLSA-N -1 0 310.350 -0.151 20 0 DBADRM C[C@@H](CCO)CCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001574694722 949090879 /nfs/dbraw/zinc/09/08/79/949090879.db2.gz VFOIZFYVWUGJOR-BDAKNGLRSA-N -1 0 308.346 -0.456 20 0 DBADRM C[C@H](CCO)CCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001574694724 949092467 /nfs/dbraw/zinc/09/24/67/949092467.db2.gz VFOIZFYVWUGJOR-IUCAKERBSA-N -1 0 308.346 -0.456 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC000090275659 949118018 /nfs/dbraw/zinc/11/80/18/949118018.db2.gz XBMHOXVEAKVPLB-CYBMUJFWSA-N -1 0 315.347 -0.203 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)c1ccn(C)n1 ZINC001575251045 949126830 /nfs/dbraw/zinc/12/68/30/949126830.db2.gz KMMMDUCQNBENMA-HTQZYQBOSA-N -1 0 316.329 -0.370 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCNC(=O)c2cnccn2)nc1 ZINC001595220444 949232758 /nfs/dbraw/zinc/23/27/58/949232758.db2.gz LQEHNOFQPQGHQJ-UHFFFAOYSA-N -1 0 315.289 -0.270 20 0 DBADRM O=C([O-])c1ccc(/C=C\C(=O)N(CCO)CCOCCO)o1 ZINC001595226490 949299866 /nfs/dbraw/zinc/29/98/66/949299866.db2.gz YMOODYHKDGEPEK-RQOWECAXSA-N -1 0 313.306 -0.179 20 0 DBADRM O=C([O-])c1ccc(C=CC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)o1 ZINC001595226830 949305024 /nfs/dbraw/zinc/30/50/24/949305024.db2.gz NZUZEXZPVAZEFS-LXOKAJLYSA-N -1 0 319.273 -0.246 20 0 DBADRM CC[C@]1(C2CC2)NC(=O)N(CN2CCO[C@H](C(=O)[O-])C2)C1=O ZINC001589610539 949316702 /nfs/dbraw/zinc/31/67/02/949316702.db2.gz IHZMSKQDCSYSEQ-IINYFYTJSA-N -1 0 311.338 -0.160 20 0 DBADRM CC[C@@]1(C(C)C)NC(=O)N(CCS(=O)(=O)CC(=O)[O-])C1=O ZINC001589611089 949324993 /nfs/dbraw/zinc/32/49/93/949324993.db2.gz VTRHMJRCYWMLBA-LBPRGKRZSA-N -1 0 320.367 -0.158 20 0 DBADRM C[C@H]1C(=O)CCCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001575863772 949357529 /nfs/dbraw/zinc/35/75/29/949357529.db2.gz FDSDZYRTOMFBKV-QMMMGPOBSA-N -1 0 319.329 -0.779 20 0 DBADRM CC(C)(C)C(=O)NC[C@@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001573804249 949467417 /nfs/dbraw/zinc/46/74/17/949467417.db2.gz UBKUZFCUCPETDY-QMMMGPOBSA-N -1 0 320.357 -0.986 20 0 DBADRM COC(=O)CC[C@H](NC(=O)COc1cc(C)on1)C(=O)[O-] ZINC000168726737 949472315 /nfs/dbraw/zinc/47/23/15/949472315.db2.gz ACRYFTRBWDEGGX-QMMMGPOBSA-N -1 0 300.267 -0.116 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC000229028589 949638818 /nfs/dbraw/zinc/63/88/18/949638818.db2.gz NLGHBNUAHUAAMQ-KXUCPTDWSA-N -1 0 300.311 -0.177 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@@H]1O ZINC000230232921 949673169 /nfs/dbraw/zinc/67/31/69/949673169.db2.gz CIIRAEZYKTXUEC-ONGXEEELSA-N -1 0 306.384 -0.270 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000231017778 949746738 /nfs/dbraw/zinc/74/67/38/949746738.db2.gz HPGDSTFRVIRLJE-SNVBAGLBSA-N -1 0 321.399 -0.178 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCC[C@H]3CCNC(=O)[C@@H]32)cn1 ZINC001595266795 949755393 /nfs/dbraw/zinc/75/53/93/949755393.db2.gz BTKYEXIMWOMTMD-GZMMTYOYSA-N -1 0 304.306 -0.085 20 0 DBADRM O=C([O-])c1cnc(C(=O)NC[C@@H]2CCCCS2(=O)=O)cn1 ZINC001595268155 949785184 /nfs/dbraw/zinc/78/51/84/949785184.db2.gz PYEOSTJJGXONDE-QMMMGPOBSA-N -1 0 313.335 -0.128 20 0 DBADRM O=C([O-])c1cnc(C(=O)NC2(c3ncon3)CCOCC2)cn1 ZINC001595268289 949788680 /nfs/dbraw/zinc/78/86/80/949788680.db2.gz WFXYVNWXKACIOJ-UHFFFAOYSA-N -1 0 319.277 -0.007 20 0 DBADRM CCCN(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)[C@H]1CCS(=O)(=O)C1 ZINC001589659402 949847284 /nfs/dbraw/zinc/84/72/84/949847284.db2.gz RJQSKZZCARBHLH-WPRPVWTQSA-N -1 0 318.351 -0.358 20 0 DBADRM CCCN(C)C(=O)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589659942 949855939 /nfs/dbraw/zinc/85/59/39/949855939.db2.gz WBOMZEDMFQXHQW-SNVBAGLBSA-N -1 0 313.354 -0.563 20 0 DBADRM CCCN(CC(=O)NC)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589660670 949865995 /nfs/dbraw/zinc/86/59/95/949865995.db2.gz XJFVZFMZDXCCKN-JTQLQIEISA-N -1 0 313.354 -0.706 20 0 DBADRM CCCN1CCN(C(=O)c2cn(CC(=O)[O-])nn2)C(C)(C)C1=O ZINC001589675620 949993490 /nfs/dbraw/zinc/99/34/90/949993490.db2.gz UDULGKWJULHUJK-UHFFFAOYSA-N -1 0 323.353 -0.164 20 0 DBADRM CCCNC(=O)CCC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001589676891 950000818 /nfs/dbraw/zinc/00/08/18/950000818.db2.gz KJOSESLWQRIVOC-AWEZNQCLSA-N -1 0 316.354 -0.379 20 0 DBADRM O=C([O-])c1cnc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)cn1 ZINC001595286675 950039153 /nfs/dbraw/zinc/03/91/53/950039153.db2.gz WWMXPWDEJNOMON-SECBINFHSA-N -1 0 304.262 -0.806 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@@H](CCC(=O)OC)C(=O)[O-] ZINC001589684079 950057990 /nfs/dbraw/zinc/05/79/90/950057990.db2.gz FRIDKPWONBQVGW-QMMMGPOBSA-N -1 0 309.340 -0.666 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N2CCCNC(=O)C2)c1 ZINC001595288198 950061920 /nfs/dbraw/zinc/06/19/20/950061920.db2.gz VRLSSRZLGSVOAP-UHFFFAOYSA-N -1 0 306.278 -0.933 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000379289187 971630692 /nfs/dbraw/zinc/63/06/92/971630692.db2.gz IRWZOZHZMDNHRV-SFYZADRCSA-N -1 0 307.324 -0.914 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC001595291479 950070724 /nfs/dbraw/zinc/07/07/24/950070724.db2.gz GMVFGEAMVOOLAW-XULOGPSESA-N -1 0 309.322 -0.408 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)CC=CC1 ZINC001595292464 950081042 /nfs/dbraw/zinc/08/10/42/950081042.db2.gz PJVQKIJPINVERO-RFAUZJTJSA-N -1 0 321.333 -0.098 20 0 DBADRM O=C([O-])C1CCN(Cc2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001595292728 950082231 /nfs/dbraw/zinc/08/22/31/950082231.db2.gz NDBNNNKDVYHSNB-NSHDSACASA-N -1 0 309.326 -0.317 20 0 DBADRM O=C([O-])c1cc(NC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)ccn1 ZINC001595293218 950089950 /nfs/dbraw/zinc/08/99/50/950089950.db2.gz RRPGNXDTJLXSPB-GHMZBOCLSA-N -1 0 320.305 -0.099 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1ccc2c(c1)C(=O)NCCO2 ZINC001595294969 950107867 /nfs/dbraw/zinc/10/78/67/950107867.db2.gz JGBRDFFPQIZRIF-LLVKDONJSA-N -1 0 320.301 -0.266 20 0 DBADRM Cc1ccnc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001485297631 1013098670 /nfs/dbraw/zinc/09/86/70/1013098670.db2.gz LCFSJWXTIDMFMT-SECBINFHSA-N -1 0 305.342 -0.141 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NC1CCN([C@H]2CCOC2=O)CC1 ZINC001595296254 950145677 /nfs/dbraw/zinc/14/56/77/950145677.db2.gz YCBQZIKLFDPVTA-UTUOFQBUSA-N -1 0 310.350 -0.007 20 0 DBADRM CCCn1cc(C(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)nn1 ZINC001589694656 950152388 /nfs/dbraw/zinc/15/23/88/950152388.db2.gz LHUHSXPCAWONBT-ZDUSSCGKSA-N -1 0 312.326 -0.370 20 0 DBADRM CCCn1ncc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1C ZINC001589695978 950167801 /nfs/dbraw/zinc/16/78/01/950167801.db2.gz XIRBVIZVANXLJF-UHFFFAOYSA-N -1 0 308.338 -0.029 20 0 DBADRM CCN(C(=O)C(=O)Nc1cc2n(n1)CCN(C)C2)[C@@H](C)C(=O)[O-] ZINC001589697376 950181369 /nfs/dbraw/zinc/18/13/69/950181369.db2.gz QPSXKEMMPSIRNP-VIFPVBQESA-N -1 0 323.353 -0.411 20 0 DBADRM CCN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)[C@@H]1CCNC1=O ZINC001589700662 950233797 /nfs/dbraw/zinc/23/37/97/950233797.db2.gz VVKRYGMCHGORGL-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001573850366 950271867 /nfs/dbraw/zinc/27/18/67/950271867.db2.gz IVMDTSLMHZHLIK-UHFFFAOYSA-N -1 0 323.313 -0.113 20 0 DBADRM CCN(C(=O)c1nc(N)nc(N2CCOCC2)n1)[C@@H](C)C(=O)[O-] ZINC001589710487 950316011 /nfs/dbraw/zinc/31/60/11/950316011.db2.gz FRWPZMSEPHUAET-QMMMGPOBSA-N -1 0 324.341 -0.774 20 0 DBADRM CCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(=O)NC)n(C)c1 ZINC001589713398 950345352 /nfs/dbraw/zinc/34/53/52/950345352.db2.gz PHUHGXNKJGFCSZ-MRVPVSSYSA-N -1 0 317.367 -0.132 20 0 DBADRM CCN([C@H](C)CS(C)(=O)=O)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001589713932 950358439 /nfs/dbraw/zinc/35/84/39/950358439.db2.gz VPTVOWWOERADOO-NXEZZACHSA-N -1 0 306.384 -0.573 20 0 DBADRM CCN(CC(C)=O)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589718971 950389541 /nfs/dbraw/zinc/38/95/41/950389541.db2.gz WHIXWRGFKOCURT-UHFFFAOYSA-N -1 0 305.352 -0.297 20 0 DBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCC(=O)[O-] ZINC001589719075 950397747 /nfs/dbraw/zinc/39/77/47/950397747.db2.gz QMMQXQZBLAEBPG-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001589730515 950501546 /nfs/dbraw/zinc/50/15/46/950501546.db2.gz LHBMHAMUQCYBTA-AWEZNQCLSA-N -1 0 316.354 -0.833 20 0 DBADRM CC1(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575608746 950515479 /nfs/dbraw/zinc/51/54/79/950515479.db2.gz REGQERQJRAXBLD-DTORHVGOSA-N -1 0 314.353 -0.062 20 0 DBADRM CC1(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575608750 950518580 /nfs/dbraw/zinc/51/85/80/950518580.db2.gz REGQERQJRAXBLD-KYZUINATSA-N -1 0 314.353 -0.062 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)[C@H]1CO ZINC000299990166 950533403 /nfs/dbraw/zinc/53/34/03/950533403.db2.gz ZHYRWBIYHDNBFS-ONGXEEELSA-N -1 0 306.384 -0.270 20 0 DBADRM CCN1C(=O)CO[C@H](C(=O)N(C)CC(=O)[O-])[C@H]1c1ccnn1C ZINC001589740005 950569578 /nfs/dbraw/zinc/56/95/78/950569578.db2.gz IFOWLBUTWMHDSA-OLZOCXBDSA-N -1 0 324.337 -0.749 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)c3cc(C(=O)[O-])n[nH]3)CCN2C1=O ZINC001589740491 950579406 /nfs/dbraw/zinc/57/94/06/950579406.db2.gz VDPGNPYHIXDELI-VIFPVBQESA-N -1 0 321.293 -0.784 20 0 DBADRM CCN1CC[C@@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1=O ZINC001589741135 950588454 /nfs/dbraw/zinc/58/84/54/950588454.db2.gz BUEXNUDNNASQCS-RBZYPMLTSA-N -1 0 311.338 -0.650 20 0 DBADRM C[S@](=O)C1(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000380122435 971678032 /nfs/dbraw/zinc/67/80/32/971678032.db2.gz SKGKDDRPPNCKDC-SFHVURJKSA-N -1 0 306.365 -0.098 20 0 DBADRM CCN1CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1=O ZINC001589744066 950638842 /nfs/dbraw/zinc/63/88/42/950638842.db2.gz JKQIWOLMFRQFSN-JTQLQIEISA-N -1 0 311.338 -1.000 20 0 DBADRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001573873601 950650504 /nfs/dbraw/zinc/65/05/04/950650504.db2.gz TXCRXKWOZORWPT-RKDXNWHRSA-N -1 0 320.357 -0.222 20 0 DBADRM CCN1CCN(C(=O)[C@H](C)OC(=O)[C@@H](OC)C(=O)[O-])CC1 ZINC001589744458 950657016 /nfs/dbraw/zinc/65/70/16/950657016.db2.gz RIBWLDRENOXCNK-UWVGGRQHSA-N -1 0 302.327 -0.818 20 0 DBADRM CCN1CCN(C(=O)c2cn(CC(=O)[O-])nn2)C(C)(C)C1=O ZINC001589744617 950664464 /nfs/dbraw/zinc/66/44/64/950664464.db2.gz WCSKXWFPEPXHIP-UHFFFAOYSA-N -1 0 309.326 -0.554 20 0 DBADRM CCNC(=O)CC(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC001589882317 950693834 /nfs/dbraw/zinc/69/38/34/950693834.db2.gz MLGIOXWQZABLEN-QWRGUYRKSA-N -1 0 322.365 -0.037 20 0 DBADRM CCN1CCO[C@@H](C(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)C1 ZINC001589883156 950701156 /nfs/dbraw/zinc/70/11/56/950701156.db2.gz YSNXCASTCZTPBS-RISCZKNCSA-N -1 0 316.354 -0.964 20 0 DBADRM C[C@H](CC(C)(C)O)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001574520448 950728654 /nfs/dbraw/zinc/72/86/54/950728654.db2.gz RXWPKMOEQXWFDL-MRVPVSSYSA-N -1 0 323.361 -0.693 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001589962484 950742287 /nfs/dbraw/zinc/74/22/87/950742287.db2.gz MKXVINVBLISQRL-VHSXEESVSA-N -1 0 322.383 -0.688 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001589962013 950743220 /nfs/dbraw/zinc/74/32/20/950743220.db2.gz IPCQCUKUZJBFBK-JOYOIKCWSA-N -1 0 320.367 -0.840 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001589963005 950747573 /nfs/dbraw/zinc/74/75/73/950747573.db2.gz XOSAGDYIBBPOBW-LPEHRKFASA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H]1[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)CCS1(=O)=O ZINC000313424618 950788490 /nfs/dbraw/zinc/78/84/90/950788490.db2.gz XWBPBWNSALSPAV-HLTSFMKQSA-N -1 0 306.340 -0.943 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC000315048322 950833220 /nfs/dbraw/zinc/83/32/20/950833220.db2.gz JASBMPJTYTZVLQ-PSASIEDQSA-N -1 0 318.351 -0.501 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)NCCOCC(=O)[O-])C1 ZINC000380406392 971696995 /nfs/dbraw/zinc/69/69/95/971696995.db2.gz CSVOGFDVLZUZHB-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM CCOC(=O)[C@]1(CNC(=O)[C@@](C)(OC)C(=O)[O-])CCCOC1 ZINC001590179003 950862655 /nfs/dbraw/zinc/86/26/55/950862655.db2.gz WEALLNUZNAVRAM-KGLIPLIRSA-N -1 0 317.338 -0.048 20 0 DBADRM O=C([O-])CC1(C(=O)NCCn2cnccc2=O)CCOCC1 ZINC001594973980 950896820 /nfs/dbraw/zinc/89/68/20/950896820.db2.gz FNEGCTSNBGSIAP-UHFFFAOYSA-N -1 0 309.322 -0.369 20 0 DBADRM CC1(C)C[C@]1(C)NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001575640992 950907491 /nfs/dbraw/zinc/90/74/91/950907491.db2.gz NCYCHARGNCIKSP-ZDUSSCGKSA-N -1 0 319.325 -0.566 20 0 DBADRM CCOC(=O)[C@H]1CSCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001590346905 950912254 /nfs/dbraw/zinc/91/22/54/950912254.db2.gz OTMIOLDPRGLTAY-SFYZADRCSA-N -1 0 302.308 -0.320 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)COCC(=O)[O-])CC12COC2 ZINC001590347851 950920269 /nfs/dbraw/zinc/92/02/69/950920269.db2.gz XPIHRXPDLVUORT-VIFPVBQESA-N -1 0 301.295 -0.874 20 0 DBADRM CN(c1ncc(C(=O)[O-])cn1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000380473853 971701884 /nfs/dbraw/zinc/70/18/84/971701884.db2.gz RTUDDGHAWBEHRV-SECBINFHSA-N -1 0 300.340 -0.355 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N(C)C2=O)CC[C@@H]1C(=O)[O-] ZINC000319079964 950947537 /nfs/dbraw/zinc/94/75/37/950947537.db2.gz BKOAHPHIPDCAPN-UTLUCORTSA-N -1 0 311.338 -0.114 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000319126378 950947950 /nfs/dbraw/zinc/94/79/50/950947950.db2.gz FDYQCWOOLJSRBN-NWDGAFQWSA-N -1 0 311.382 -0.232 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CCOCC1 ZINC001594978689 950960816 /nfs/dbraw/zinc/96/08/16/950960816.db2.gz SORISTBKWKXJLT-VIFPVBQESA-N -1 0 324.337 -0.314 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000380573516 971706505 /nfs/dbraw/zinc/70/65/05/971706505.db2.gz IKNSFWIMEBRTJJ-QMMMGPOBSA-N -1 0 320.348 -0.755 20 0 DBADRM CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)NCCC(=O)[O-])C1 ZINC001590873675 951007326 /nfs/dbraw/zinc/00/73/26/951007326.db2.gz NZSSVNXQULITFQ-IUCAKERBSA-N -1 0 303.315 -0.791 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC001594987918 951031307 /nfs/dbraw/zinc/03/13/07/951031307.db2.gz OABKUDNFEQQMJT-XQHKEYJVSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cnn(C[C@H](O)CO)c2)C1 ZINC001594993255 951054388 /nfs/dbraw/zinc/05/43/88/951054388.db2.gz WDGKHHUBVHIDRT-JQWIXIFHSA-N -1 0 311.338 -0.437 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NCC(=O)N2CCCO2)CO1 ZINC001595000757 951121380 /nfs/dbraw/zinc/12/13/80/951121380.db2.gz GLHTYCPOMINVBT-NXEZZACHSA-N -1 0 300.311 -0.464 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NCC[C@@]2(O)CCOC2)CO1 ZINC001595001976 951141847 /nfs/dbraw/zinc/14/18/47/951141847.db2.gz QMSUHDOUFYTDSN-MISXGVKJSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)CO1 ZINC001595002649 951153275 /nfs/dbraw/zinc/15/32/75/951153275.db2.gz JKDORZYFOFZTFH-ZXQKQUGSSA-N -1 0 301.364 -0.012 20 0 DBADRM CCOC(C)(C)CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001591531657 951157568 /nfs/dbraw/zinc/15/75/68/951157568.db2.gz NFGRVSKVUAUABL-SECBINFHSA-N -1 0 302.327 -0.770 20 0 DBADRM COCCOCCN(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000380845979 971720960 /nfs/dbraw/zinc/72/09/60/971720960.db2.gz QXRJGTHBZMRFRK-UHFFFAOYSA-N -1 0 306.340 -0.004 20 0 DBADRM CCO[C@@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])[C@H]1CCOC1 ZINC001591531815 951160775 /nfs/dbraw/zinc/16/07/75/951160775.db2.gz ZCBCWOJRWVMKIE-JBLDHEPKSA-N -1 0 317.338 -0.049 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1C(=O)[O-] ZINC000380120906 951181027 /nfs/dbraw/zinc/18/10/27/951181027.db2.gz QUSCCQNPGKJSNH-BBBLOLIVSA-N -1 0 304.368 -0.074 20 0 DBADRM CCO[C@@H]1C[C@@](NC(=O)[C@H](OC)C(=O)[O-])(C(=O)OC)C1(C)C ZINC001591750584 951188145 /nfs/dbraw/zinc/18/81/45/951188145.db2.gz FNFHZFMCAWTMOA-TVLCNXBWSA-N -1 0 317.338 -0.051 20 0 DBADRM CCOC1CC2(C[C@H]2NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC001591763021 951211572 /nfs/dbraw/zinc/21/15/72/951211572.db2.gz ZXKPIVJALJPACG-BFVXHGPNSA-N -1 0 310.350 -0.007 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001591765463 951223371 /nfs/dbraw/zinc/22/33/71/951223371.db2.gz XTQXANRPFYSBLZ-GARJFASQSA-N -1 0 302.327 -0.325 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2c[nH]nc2C)C1 ZINC000383666806 951256508 /nfs/dbraw/zinc/25/65/08/951256508.db2.gz AFCVVNAKURMCQN-LLVKDONJSA-N -1 0 303.340 -0.170 20 0 DBADRM CCOC[C@H](C)NC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001591986996 951257981 /nfs/dbraw/zinc/25/79/81/951257981.db2.gz LCUPWQZVKKPMIG-GWCFXTLKSA-N -1 0 304.343 -0.077 20 0 DBADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](CO)C2)C1 ZINC001595012484 951263534 /nfs/dbraw/zinc/26/35/34/951263534.db2.gz IUHFVHAWIYOQNQ-NWDGAFQWSA-N -1 0 312.366 -0.069 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001591997885 951273602 /nfs/dbraw/zinc/27/36/02/951273602.db2.gz IAABEGVGAVLFPY-HBNTYKKESA-N -1 0 314.338 -0.770 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCCCS(C)(=O)=O)C1 ZINC000386117755 951292920 /nfs/dbraw/zinc/29/29/20/951292920.db2.gz AAHMFPUOWWGJNV-LBPRGKRZSA-N -1 0 322.383 -0.446 20 0 DBADRM O=C([O-])CCC1CCN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC1 ZINC001595022651 951319978 /nfs/dbraw/zinc/31/99/78/951319978.db2.gz GBVNRXZKYNNHDM-GHMZBOCLSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])CCCC(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001595025256 951342822 /nfs/dbraw/zinc/34/28/22/951342822.db2.gz FNBQQMJJSVXRNV-UHFFFAOYSA-N -1 0 313.354 -0.162 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCCCCS(N)(=O)=O ZINC000381135789 971741410 /nfs/dbraw/zinc/74/14/10/971741410.db2.gz IWQHFJOUPYCGQL-IUCAKERBSA-N -1 0 307.372 -0.440 20 0 DBADRM CCOc1ccncc1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001593060572 951396193 /nfs/dbraw/zinc/39/61/93/951396193.db2.gz KQJFZOCHCCETQQ-LLVKDONJSA-N -1 0 304.324 -0.406 20 0 DBADRM CCS(=O)(=O)C1CCN(C(=O)C(=O)NCCC(=O)[O-])CC1 ZINC001593123247 951410912 /nfs/dbraw/zinc/41/09/12/951410912.db2.gz RHOMTDMVYUPDIW-UHFFFAOYSA-N -1 0 320.367 -0.997 20 0 DBADRM CCS(=O)(=O)C1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001593123779 951412836 /nfs/dbraw/zinc/41/28/36/951412836.db2.gz YRKWJFSAXCATIS-JTQLQIEISA-N -1 0 318.395 -0.224 20 0 DBADRM Cc1nnc([C@H](C)NS(=O)(=O)N2CCC(C(=O)[O-])CC2)[nH]1 ZINC000392382797 951419148 /nfs/dbraw/zinc/41/91/48/951419148.db2.gz KTUJQGGNOUYISP-ZETCQYMHSA-N -1 0 317.371 -0.195 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)NCc1nnc2n1CCCC2 ZINC001595040923 951421948 /nfs/dbraw/zinc/42/19/48/951421948.db2.gz FGCUFBWATCTIKV-UHFFFAOYSA-N -1 0 323.353 -0.398 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCO[C@]2(CCSC2)C1 ZINC001595048281 951452557 /nfs/dbraw/zinc/45/25/57/951452557.db2.gz KZLUCSSPTNUDGW-CYBMUJFWSA-N -1 0 316.379 -0.298 20 0 DBADRM O=C([O-])CCN(C(=O)CN1C(=O)CCC1=O)C1CCOCC1 ZINC001595055558 951491770 /nfs/dbraw/zinc/49/17/70/951491770.db2.gz SRACHPFCQZADRC-UHFFFAOYSA-N -1 0 312.322 -0.382 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC001595055927 951499295 /nfs/dbraw/zinc/49/92/95/951499295.db2.gz LGPMJDVMRWQBEC-NOZJJQNGSA-N -1 0 300.311 -0.968 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001595056138 951501966 /nfs/dbraw/zinc/50/19/66/951501966.db2.gz PMURRKOBBDOBLI-NKWVEPMBSA-N -1 0 312.244 -0.197 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC001595056229 951502621 /nfs/dbraw/zinc/50/26/21/951502621.db2.gz VDIXRZIKFVXNFI-UHFFFAOYSA-N -1 0 311.338 -0.809 20 0 DBADRM O=C([O-])CCc1cccc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)c1 ZINC001595063215 951522614 /nfs/dbraw/zinc/52/26/14/951522614.db2.gz OLWMKVZETPQCIX-NSHDSACASA-N -1 0 319.317 -0.353 20 0 DBADRM C[C@H](CNC(=O)Cc1ccccc1C(=O)[O-])S(N)(=O)=O ZINC000398268248 951587173 /nfs/dbraw/zinc/58/71/73/951587173.db2.gz OFAKPQSVKLHMJY-MRVPVSSYSA-N -1 0 300.336 -0.280 20 0 DBADRM C[C@H]1C[C@@H](CO)CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000398725392 951602033 /nfs/dbraw/zinc/60/20/33/951602033.db2.gz HLYHVNOBGPQWDC-WDEREUQCSA-N -1 0 320.411 -0.022 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCCS(N)(=O)=O)C1 ZINC000398775992 951607670 /nfs/dbraw/zinc/60/76/70/951607670.db2.gz DYBRTXWGOFUCOI-IUCAKERBSA-N -1 0 307.372 -0.583 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCNS(C)(=O)=O)C1 ZINC000398838876 951614240 /nfs/dbraw/zinc/61/42/40/951614240.db2.gz OCOFVKJFPMONTF-RKDXNWHRSA-N -1 0 307.372 -0.712 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCNC(=O)[C@H]2c2ccccc2)C1=O ZINC001595073726 951617598 /nfs/dbraw/zinc/61/75/98/951617598.db2.gz GJZXHUKHAMHDPN-TZMCWYRMSA-N -1 0 317.345 -0.155 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCNC(=O)[C@@H]2c2ccccc2)C1=O ZINC001595073725 951618296 /nfs/dbraw/zinc/61/82/96/951618296.db2.gz GJZXHUKHAMHDPN-OCCSQVGLSA-N -1 0 317.345 -0.155 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCN(c3ncccn3)CC2)C1=O ZINC001595074022 951623980 /nfs/dbraw/zinc/62/39/80/951623980.db2.gz LKGYNWPUJILRPY-NSHDSACASA-N -1 0 305.338 -0.716 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCOC[C@@H]2[C@H]2CCCC2=O)C1=O ZINC001595074231 951626600 /nfs/dbraw/zinc/62/66/00/951626600.db2.gz OYKVGYJJOWAGCO-GRYCIOLGSA-N -1 0 310.350 -0.258 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCNC(=O)c3ccccc32)C1=O ZINC001595074187 951627019 /nfs/dbraw/zinc/62/70/19/951627019.db2.gz NFLCXJLIUWRVOD-GFCCVEGCSA-N -1 0 303.318 -0.078 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000400136731 951644446 /nfs/dbraw/zinc/64/44/46/951644446.db2.gz UCWBGILMKBNITB-RKDXNWHRSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@H](CN(C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400127530 951644488 /nfs/dbraw/zinc/64/44/88/951644488.db2.gz OXSOVLPBUUUSEC-NXEZZACHSA-N -1 0 321.399 -0.228 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)COC2CCOCC2)C1=O ZINC001595080500 951672617 /nfs/dbraw/zinc/67/26/17/951672617.db2.gz BQTUZUUCEAKWPD-SNVBAGLBSA-N -1 0 301.295 -0.589 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)C2(CF)CCOCC2)C1=O ZINC001595081186 951680254 /nfs/dbraw/zinc/68/02/54/951680254.db2.gz OUQMNHMYXTWYKT-SECBINFHSA-N -1 0 303.286 -0.019 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)C2(O)CCSCC2)C1=O ZINC001595081254 951681085 /nfs/dbraw/zinc/68/10/85/951681085.db2.gz QBUYWRFTLRYTAQ-MRVPVSSYSA-N -1 0 303.336 -0.527 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)C2(O)CCSCC2)C1=O ZINC001595081256 951681468 /nfs/dbraw/zinc/68/14/68/951681468.db2.gz QBUYWRFTLRYTAQ-QMMMGPOBSA-N -1 0 303.336 -0.527 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCCO[C@@H]2CCOC2)C1=O ZINC001595081444 951683269 /nfs/dbraw/zinc/68/32/69/951683269.db2.gz AAJIMWNQBKISJF-MNOVXSKESA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)[C@@H]2CCc3n[nH]cc3C2)C1=O ZINC001595082181 951692918 /nfs/dbraw/zinc/69/29/18/951692918.db2.gz ZPHAPOLCIUBQSZ-LDYMZIIASA-N -1 0 307.306 -0.257 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1=O ZINC001595082421 951696413 /nfs/dbraw/zinc/69/64/13/951696413.db2.gz PYJPABFSQYFWQT-QMMMGPOBSA-N -1 0 320.261 -0.494 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)Nc2n[nH]c3c2COCC3)C1=O ZINC001595083053 951705252 /nfs/dbraw/zinc/70/52/52/951705252.db2.gz NVHIBENEJYYFLY-MRVPVSSYSA-N -1 0 322.321 -0.256 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCSC[C@H]2CO)C1=O ZINC001595083273 951708033 /nfs/dbraw/zinc/70/80/33/951708033.db2.gz KMPDOXJZHBLFFY-NXEZZACHSA-N -1 0 316.379 -0.754 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCOCC(F)(F)C2)C1=O ZINC001595083444 951709326 /nfs/dbraw/zinc/70/93/26/951709326.db2.gz KVUBLUGRAGFZSN-VIFPVBQESA-N -1 0 320.292 -0.196 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NC2(c3nc[nH]n3)CCC2)C1=O ZINC001595086063 951729408 /nfs/dbraw/zinc/72/94/08/951729408.db2.gz YFXCFSNCMKWVJT-VIFPVBQESA-N -1 0 321.337 -0.377 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)OCCn2ccccc2=O)C1=O ZINC001595086330 951732216 /nfs/dbraw/zinc/73/22/16/951732216.db2.gz BPHUBWGIRPCMRE-NSHDSACASA-N -1 0 322.317 -0.285 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCC3(C2)OCCO3)C1=O ZINC001595087617 951748527 /nfs/dbraw/zinc/74/85/27/951748527.db2.gz WNCRRDQWEHDEBG-SNVBAGLBSA-N -1 0 312.322 -0.715 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)Nc2ncccc2CO)C1=O ZINC001595087689 951749636 /nfs/dbraw/zinc/74/96/36/951749636.db2.gz QQKPJAOPIRYZQF-SNVBAGLBSA-N -1 0 307.306 -0.164 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)O[C@@H]2CCN(CCF)C2)C1=O ZINC001595087996 951754001 /nfs/dbraw/zinc/75/40/01/951754001.db2.gz VXYYHYKPEAWDRC-GHMZBOCLSA-N -1 0 316.329 -0.103 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)/C=C\Cn2cncn2)C1=O ZINC001595089824 951761468 /nfs/dbraw/zinc/76/14/68/951761468.db2.gz JAOMDTCDTONBEY-MZBZXASESA-N -1 0 321.337 -0.584 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)CCc2ncccn2)C1=O ZINC001595090400 951768016 /nfs/dbraw/zinc/76/80/16/951768016.db2.gz OVJMBIUWCGIIJN-NSHDSACASA-N -1 0 320.349 -0.009 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N2CCCOCC2)C1=O ZINC001595090914 951772852 /nfs/dbraw/zinc/77/28/52/951772852.db2.gz LPCHOJSGNWVLNZ-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N2CC=C[C@H]2CO)C1=O ZINC001595090882 951772928 /nfs/dbraw/zinc/77/29/28/951772928.db2.gz UDCINUCHQWGAIQ-QWRGUYRKSA-N -1 0 311.338 -0.606 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)C1=O ZINC001595093412 951799037 /nfs/dbraw/zinc/79/90/37/951799037.db2.gz IROOPUNCSVKTER-LYIQGSDWSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N[C@]23C[C@H]2COC3)C1=O ZINC001595093752 951799696 /nfs/dbraw/zinc/79/96/96/951799696.db2.gz KUTVKAKUCAVKGF-BHDSKKPTSA-N -1 0 311.338 -0.460 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NCc2cccnn2)C1=O ZINC001595094230 951802021 /nfs/dbraw/zinc/80/20/21/951802021.db2.gz PUYVHYMOHYYEAB-LLVKDONJSA-N -1 0 321.337 -0.259 20 0 DBADRM O=C([O-])CN1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC001595096835 951823491 /nfs/dbraw/zinc/82/34/91/951823491.db2.gz PXJGUXVFPVCHCT-UHFFFAOYSA-N -1 0 313.379 -0.277 20 0 DBADRM O=C([O-])CNC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001595096928 951824147 /nfs/dbraw/zinc/82/41/47/951824147.db2.gz JAPNDLLXRWTXGH-MWLCHTKSSA-N -1 0 307.224 -0.002 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O ZINC001595096879 951824237 /nfs/dbraw/zinc/82/42/37/951824237.db2.gz AGQJSDGZRLSYTK-UHFFFAOYSA-N -1 0 320.305 -0.649 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@]1(C2CCCC2)CCNC1=O ZINC001595098864 951845990 /nfs/dbraw/zinc/84/59/90/951845990.db2.gz WMIKQKGJDRLECN-AWEZNQCLSA-N -1 0 312.322 -0.573 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ncn(-c2ccccc2)n1 ZINC001595099389 951849646 /nfs/dbraw/zinc/84/96/46/951849646.db2.gz ZVVOFPXPFGEHEO-UHFFFAOYSA-N -1 0 304.262 -0.375 20 0 DBADRM O=C([O-])COC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC001595103185 951871565 /nfs/dbraw/zinc/87/15/65/951871565.db2.gz SJAIPAKXDVUXEO-UHFFFAOYSA-N -1 0 318.285 -0.314 20 0 DBADRM CC[C@](COC)(NC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC000392874838 972536735 /nfs/dbraw/zinc/53/67/35/972536735.db2.gz LPFKLZKVUNYJHL-TVQRCGJNSA-N -1 0 301.343 -0.227 20 0 DBADRM O=C([O-])COCC(=O)Nc1ccc([C@@H]2NC(=O)NC2=O)cc1 ZINC001595107957 951894357 /nfs/dbraw/zinc/89/43/57/951894357.db2.gz FCYNGTHMODDENO-NSHDSACASA-N -1 0 307.262 -0.393 20 0 DBADRM O=C([O-])COCC(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001595108071 951895584 /nfs/dbraw/zinc/89/55/84/951895584.db2.gz GMJOKTYPAOYNHJ-UHFFFAOYSA-N -1 0 310.310 -0.768 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)NCc1ccc(F)cc1F ZINC001595111843 951909226 /nfs/dbraw/zinc/90/92/26/951909226.db2.gz BGYHWDOYEDXJTN-UHFFFAOYSA-N -1 0 316.260 -0.202 20 0 DBADRM O=C([O-])COCCNC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC001595111835 951909264 /nfs/dbraw/zinc/90/92/64/951909264.db2.gz BEFRVHOLDXKSRM-UHFFFAOYSA-N -1 0 316.260 -0.088 20 0 DBADRM O=C([O-])COCCNC(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC001595111895 951909631 /nfs/dbraw/zinc/90/96/31/951909631.db2.gz CRXIJDYOXGTKSE-UHFFFAOYSA-N -1 0 316.260 -0.088 20 0 DBADRM O=C([O-])COCCOCCNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001595112613 951915085 /nfs/dbraw/zinc/91/50/85/951915085.db2.gz BCHODNQRYVDLEH-JTQLQIEISA-N -1 0 311.338 -0.251 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1ccnn1C1CCC1 ZINC001595112687 951916195 /nfs/dbraw/zinc/91/61/95/951916195.db2.gz DXXCLQWNTSVZRO-UHFFFAOYSA-N -1 0 303.340 -0.012 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1cnn(C2CCC2)c1 ZINC001595112773 951917568 /nfs/dbraw/zinc/91/75/68/951917568.db2.gz IUFNRMMLBDHAMR-UHFFFAOYSA-N -1 0 303.340 -0.012 20 0 DBADRM O=C([O-])COCCOCCNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001595112906 951919272 /nfs/dbraw/zinc/91/92/72/951919272.db2.gz OPSOUVBOWQFPFP-SNVBAGLBSA-N -1 0 323.367 -0.955 20 0 DBADRM O=C([O-])COCCOCCNC(=O)[C@H]1CCc2ncncc2C1 ZINC001595113145 951922230 /nfs/dbraw/zinc/92/22/30/951922230.db2.gz YNPFSRRMZDAYRF-NSHDSACASA-N -1 0 323.349 -0.185 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NC[C@@H](O)C(F)(F)F ZINC001595113795 951930033 /nfs/dbraw/zinc/93/00/33/951930033.db2.gz JBCMWYLJYYTJNJ-SSDOTTSWSA-N -1 0 318.248 -0.673 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NC[C@H]1CCCOC1 ZINC001595113930 951932100 /nfs/dbraw/zinc/93/21/00/951932100.db2.gz MDBUVSNTGGAYAL-LLVKDONJSA-N -1 0 304.343 -0.170 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC(N2CCCC2=O)CC1 ZINC001595114045 951933232 /nfs/dbraw/zinc/93/32/32/951933232.db2.gz VMZMUWANKFPLRD-UHFFFAOYSA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])COCCNC(=O)Cn1cnc2ccccc2c1=O ZINC001595114046 951933470 /nfs/dbraw/zinc/93/34/70/951933470.db2.gz VTCNNZYKLPQTDJ-UHFFFAOYSA-N -1 0 305.290 -0.386 20 0 DBADRM O=C([O-])COCCOCCNS(=O)(=O)c1cccnc1 ZINC001595116331 951945149 /nfs/dbraw/zinc/94/51/49/951945149.db2.gz KEDBCPWOTMGDOU-UHFFFAOYSA-N -1 0 304.324 -0.522 20 0 DBADRM O=C([O-])COc1ccc(C(=O)NCCN2CCNC(=O)C2)cc1 ZINC001595119112 951961694 /nfs/dbraw/zinc/96/16/94/951961694.db2.gz MTCLGCHPHHIOMS-UHFFFAOYSA-N -1 0 321.333 -0.688 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC[C@@H](C2OCCO2)C1 ZINC001595123927 951993292 /nfs/dbraw/zinc/99/32/92/951993292.db2.gz HAWUBOXVJXVPNS-SNVBAGLBSA-N -1 0 307.368 -0.429 20 0 DBADRM O=C([O-])CS(=O)(=O)CCS(=O)(=O)c1ccc(O)cc1 ZINC001595125478 952011774 /nfs/dbraw/zinc/01/17/74/952011774.db2.gz WOHRMACRANPNFY-UHFFFAOYSA-N -1 0 308.333 -0.335 20 0 DBADRM O=C([O-])CSCC(=O)N1CCS(=O)(=O)C[C@@H]1C1CC1 ZINC001595126151 952014759 /nfs/dbraw/zinc/01/47/59/952014759.db2.gz KBIRNWVUVOBMPQ-SECBINFHSA-N -1 0 307.393 -0.160 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1C[C@@H](O)C[C@H]1CO ZINC001595138723 952068719 /nfs/dbraw/zinc/06/87/19/952068719.db2.gz WHHJJXQHPMCCAT-QWRGUYRKSA-N -1 0 322.317 -0.794 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)nn1 ZINC001595140334 952074117 /nfs/dbraw/zinc/07/41/17/952074117.db2.gz RERWFXHAORJJNC-WCBMZHEXSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@@H](CN3CCCC3=O)C2)nn1 ZINC001595141605 952083441 /nfs/dbraw/zinc/08/34/41/952083441.db2.gz BWEQGDLFGQECJA-JTQLQIEISA-N -1 0 321.337 -0.553 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCOC[C@H]2C[C@H]2CCOC2)nn1 ZINC001595141758 952084669 /nfs/dbraw/zinc/08/46/69/952084669.db2.gz FCQRLZYXTBTOAW-GHMZBOCLSA-N -1 0 324.337 -0.370 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@@H]2COc3ccccc3[C@@H]2O)nn1 ZINC001595142378 952090497 /nfs/dbraw/zinc/09/04/97/952090497.db2.gz LSONBJMAGRATQU-MFKMUULPSA-N -1 0 318.289 -0.413 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@H](O)Cc2ccccc2F)nn1 ZINC001595143197 952097354 /nfs/dbraw/zinc/09/73/54/952097354.db2.gz VQTRHIAJQCDBNI-SNVBAGLBSA-N -1 0 322.296 -0.165 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@H](N3CCOC3=O)C2)nn1 ZINC001595143155 952097716 /nfs/dbraw/zinc/09/77/16/952097716.db2.gz VMDLTSUQUNSPKI-QMMMGPOBSA-N -1 0 309.282 -0.971 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@@H](CO)Cc2ccc(O)cc2)nn1 ZINC001595143628 952102676 /nfs/dbraw/zinc/10/26/76/952102676.db2.gz MIZWBGUSHICJDH-SNVBAGLBSA-N -1 0 320.305 -0.598 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@@H](O)c2ccc(F)cc2)nn1 ZINC001595143626 952102828 /nfs/dbraw/zinc/10/28/28/952102828.db2.gz MFORSEGDOSOFKF-LLVKDONJSA-N -1 0 308.269 -0.035 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCc2cnn3c2CCCC3)nn1 ZINC001595143750 952103493 /nfs/dbraw/zinc/10/34/93/952103493.db2.gz UKRSUNRAXSCUSL-UHFFFAOYSA-N -1 0 304.310 -0.175 20 0 DBADRM O=C([O-])Cn1cc(C(=O)Nc2cccc3c2CNC3=O)nn1 ZINC001595144838 952107515 /nfs/dbraw/zinc/10/75/15/952107515.db2.gz LYXWSQKIMNOAEQ-UHFFFAOYSA-N -1 0 301.262 -0.142 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)C2CC3(C2)CS(=O)(=O)C3)cn1 ZINC001595145714 952112072 /nfs/dbraw/zinc/11/20/72/952112072.db2.gz HDYVZIFDEBGLAY-UHFFFAOYSA-N -1 0 313.335 -0.269 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)/C=C/c2ccncn2)nn1 ZINC001595146300 952115127 /nfs/dbraw/zinc/11/51/27/952115127.db2.gz AEKBBJBSEKGAHS-OWOJBTEDSA-N -1 0 303.278 -0.048 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CCC[C@@H](CCO)C2)n1 ZINC001595147950 952123139 /nfs/dbraw/zinc/12/31/39/952123139.db2.gz LTGIGUSCFNYCPI-JTQLQIEISA-N -1 0 324.337 -0.473 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NC2CC(F)(F)C2)n1 ZINC001595147969 952123396 /nfs/dbraw/zinc/12/33/96/952123396.db2.gz MKLXMUVPYSLQCV-UHFFFAOYSA-N -1 0 302.237 -0.180 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CC[C@H]3COC[C@H]3C2)n1 ZINC001595148442 952127707 /nfs/dbraw/zinc/12/77/07/952127707.db2.gz RFTMTZDSGNQARJ-VHSXEESVSA-N -1 0 322.321 -0.599 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CCC(F)(F)C2)n1 ZINC001595148666 952129604 /nfs/dbraw/zinc/12/96/04/952129604.db2.gz UTHRXGFUNXYMCW-UHFFFAOYSA-N -1 0 302.237 -0.226 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@@H](CCO)C2CC2)n1 ZINC001595148785 952130513 /nfs/dbraw/zinc/13/05/13/952130513.db2.gz ZLNSZHDPETZWGN-VIFPVBQESA-N -1 0 310.310 -0.817 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C2CCS(=O)(=O)CC2)n1 ZINC001595151374 952135343 /nfs/dbraw/zinc/13/53/43/952135343.db2.gz SFRCVJQWSPTFMB-UHFFFAOYSA-N -1 0 301.324 -0.269 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)c2cccn3c(=O)[nH]nc23)n1 ZINC001595152023 952141009 /nfs/dbraw/zinc/14/10/09/952141009.db2.gz WPYZAWVMAQVGOD-UHFFFAOYSA-N -1 0 302.250 -0.032 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CC[C@]3(CNC(=O)C3)C2)n1 ZINC001595152073 952142064 /nfs/dbraw/zinc/14/20/64/952142064.db2.gz KDGYWHXRWUAZCR-ZDUSSCGKSA-N -1 0 307.310 -0.288 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)n1 ZINC001595152369 952143993 /nfs/dbraw/zinc/14/39/93/952143993.db2.gz SUHBTSIGCZMJCS-BDAKNGLRSA-N -1 0 323.309 -0.070 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCN3CCOC[C@H]3C2)n1 ZINC001595152402 952144539 /nfs/dbraw/zinc/14/45/39/952144539.db2.gz VIILTXAWJWCBMK-SNVBAGLBSA-N -1 0 309.326 -0.484 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCN3CCOC[C@@H]3C2)n1 ZINC001595152401 952144856 /nfs/dbraw/zinc/14/48/56/952144856.db2.gz VIILTXAWJWCBMK-JTQLQIEISA-N -1 0 309.326 -0.484 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CC(n3cncn3)C2)c1=O ZINC001595152989 952149400 /nfs/dbraw/zinc/14/94/00/952149400.db2.gz OHIRZAOLUJXQNB-UHFFFAOYSA-N -1 0 303.278 -0.779 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CC[C@](O)(C3CC3)C2)c1=O ZINC001595154832 952159129 /nfs/dbraw/zinc/15/91/29/952159129.db2.gz OYRVUPCCPHHVCN-OAHLLOKOSA-N -1 0 306.318 -0.080 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c1=O ZINC001595154791 952159150 /nfs/dbraw/zinc/15/91/50/952159150.db2.gz OHNJVUZUQASGJK-PSASIEDQSA-N -1 0 306.274 -0.822 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CC[C@@H](C3OCCO3)C2)c1=O ZINC001595155246 952162446 /nfs/dbraw/zinc/16/24/46/952162446.db2.gz UHMFBJIVYHCUMA-SNVBAGLBSA-N -1 0 322.317 -0.232 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)[C@H]2CCc3ncncc3C2)n1 ZINC001595158093 952176683 /nfs/dbraw/zinc/17/66/83/952176683.db2.gz LTUUFUSFMHRBAP-QMMMGPOBSA-N -1 0 302.294 -0.104 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCCN2CCOCC2)C1 ZINC001595164747 952204519 /nfs/dbraw/zinc/20/45/19/952204519.db2.gz OKEBSYLWYQPQKP-GFCCVEGCSA-N -1 0 320.411 -0.165 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC[C@H](n2cncn2)C1 ZINC001595168392 952213659 /nfs/dbraw/zinc/21/36/59/952213659.db2.gz JHLGQTRFJLASCV-UWVGGRQHSA-N -1 0 315.355 -0.681 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@H]1CCn2ccnc21 ZINC001595169913 952221310 /nfs/dbraw/zinc/22/13/10/952221310.db2.gz WMBHEAKDOIIGDP-IUCAKERBSA-N -1 0 300.340 -0.289 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1C1CC1 ZINC001595185509 952261279 /nfs/dbraw/zinc/26/12/79/952261279.db2.gz NCEKHGDKUWUTPD-WDEREUQCSA-N -1 0 301.364 -0.010 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H]1C1CC1 ZINC001595185911 952265330 /nfs/dbraw/zinc/26/53/30/952265330.db2.gz DHSKDOSMOKNWGI-OUAUKWLOSA-N -1 0 316.379 -0.074 20 0 DBADRM O=C([O-])[C@@H]1CN(Cn2nc3cnccn3c2=O)C[C@H]1C1CC1 ZINC001595191428 952284124 /nfs/dbraw/zinc/28/41/24/952284124.db2.gz MGWGGBVKDUDXMF-WDEREUQCSA-N -1 0 303.322 -0.109 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1C[N@H+](Cc1cc(=O)n3[n-]ccc3n1)C2 ZINC001595192073 952287067 /nfs/dbraw/zinc/28/70/67/952287067.db2.gz DHDZXQZHCDJJKT-XPTSAGLGSA-N -1 0 304.306 -0.444 20 0 DBADRM O=C([O-])[C@H]1CCCN(c2nnnn2[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC001595198135 952306504 /nfs/dbraw/zinc/30/65/04/952306504.db2.gz PSUCAVIOYXUMTM-GXSJLCMTSA-N -1 0 320.353 -0.090 20 0 DBADRM O=C([O-])[C@H]1CCCN(c2nnnn2CCCN2CCOCC2)C1 ZINC001595198310 952306891 /nfs/dbraw/zinc/30/68/91/952306891.db2.gz XTYRSZCZKCTETM-LBPRGKRZSA-N -1 0 324.385 -0.304 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnc(CO)n1CC1CC1)C2 ZINC001595202718 952315981 /nfs/dbraw/zinc/31/59/81/952315981.db2.gz AROIAUKHZBNHGE-QMTHXVAHSA-N -1 0 308.338 -0.282 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=S)NC[C@H]1CCOC1)C2 ZINC001595203206 952318156 /nfs/dbraw/zinc/31/81/56/952318156.db2.gz PNKMGDFVENXAAW-GIPNMCIBSA-N -1 0 300.380 -0.070 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)[nH]n1 ZINC001595206699 952332049 /nfs/dbraw/zinc/33/20/49/952332049.db2.gz GMVHKTYKWIKNRU-ZJUUUORDSA-N -1 0 308.294 -0.773 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)[nH]n1 ZINC001595207023 952334993 /nfs/dbraw/zinc/33/49/93/952334993.db2.gz NNWWDHUMLGXARL-ZETCQYMHSA-N -1 0 318.293 -0.068 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000383476725 971872052 /nfs/dbraw/zinc/87/20/52/971872052.db2.gz SMTZXNFJMSPLMA-SECBINFHSA-N -1 0 303.336 -0.021 20 0 DBADRM CCCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000383743433 971891569 /nfs/dbraw/zinc/89/15/69/971891569.db2.gz HWTLYXKYGHRCIM-UHFFFAOYSA-N -1 0 301.324 -0.416 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])C1 ZINC000383967700 971904447 /nfs/dbraw/zinc/90/44/47/971904447.db2.gz HOUYILWDBXSJGO-UHFFFAOYSA-N -1 0 319.310 -0.094 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000384003353 971905747 /nfs/dbraw/zinc/90/57/47/971905747.db2.gz SSUVMAMGRSRITB-UHFFFAOYSA-N -1 0 307.349 -0.172 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H](C)CC(=O)[O-] ZINC001593353920 953353368 /nfs/dbraw/zinc/35/33/68/953353368.db2.gz NCKOSHGZFHDDTO-VIFPVBQESA-N -1 0 309.388 -0.180 20 0 DBADRM CCS(=O)(=O)N1CCN(Cc2cc(C(=O)[O-])nn2C)CC1 ZINC001593353943 953353446 /nfs/dbraw/zinc/35/34/46/953353446.db2.gz OOZOMCXVWKHSSE-UHFFFAOYSA-N -1 0 316.383 -0.414 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)C(C)(C)C(=O)[O-])[C@H](C)C1 ZINC001593354145 953353657 /nfs/dbraw/zinc/35/36/57/953353657.db2.gz WJEZNMWKASVBGL-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)[C@H](C)C1 ZINC001593354110 953354258 /nfs/dbraw/zinc/35/42/58/953354258.db2.gz UDNKGGFPZINYPV-BREBYQMCSA-N -1 0 318.395 -0.020 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])[C@H](C)C1 ZINC001593354272 953354950 /nfs/dbraw/zinc/35/49/50/953354950.db2.gz YBYHYWNXUKTMBN-GMTAPVOTSA-N -1 0 318.395 -0.020 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC001594738179 953355143 /nfs/dbraw/zinc/35/51/43/953355143.db2.gz LFCUSVATMQXOAP-ZJUUUORDSA-N -1 0 323.305 -0.626 20 0 DBADRM CCS(=O)(=O)NCC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001593355171 953357201 /nfs/dbraw/zinc/35/72/01/953357201.db2.gz MGZXMCXEARJCAS-UHFFFAOYSA-N -1 0 302.308 -0.032 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCC[C@]2(O)CCOC2)CC1 ZINC000403104746 953366426 /nfs/dbraw/zinc/36/64/26/953366426.db2.gz DXLNMLMQBIWUSG-LBPRGKRZSA-N -1 0 322.383 -0.841 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2cnn(C)c2)C1 ZINC001589266130 953370949 /nfs/dbraw/zinc/37/09/49/953370949.db2.gz NLRVGRKZNXGBEZ-CMPLNLGQSA-N -1 0 322.365 -0.052 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ncnn1C ZINC001589266173 953371794 /nfs/dbraw/zinc/37/17/94/953371794.db2.gz OCUWQDDXTYOEJA-KXUCPTDWSA-N -1 0 323.353 -0.439 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589266360 953373004 /nfs/dbraw/zinc/37/30/04/953373004.db2.gz RNJAPYJZUFKSGZ-QCZKYFFMSA-N -1 0 312.366 -0.169 20 0 DBADRM CC[S@@](=O)CCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001593461285 953374832 /nfs/dbraw/zinc/37/48/32/953374832.db2.gz UERBMVGTZJCSFV-RPRMFJHBSA-N -1 0 318.395 -0.369 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H](O)[C@@H](F)C2)C1 ZINC001589266808 953374941 /nfs/dbraw/zinc/37/49/41/953374941.db2.gz XJSYPIUZDBJVRN-VPOLOUISSA-N -1 0 316.329 -0.513 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCn3ncnc3C2)C1 ZINC001589266795 953375622 /nfs/dbraw/zinc/37/56/22/953375622.db2.gz WYFANBZHTUTIBJ-ZJUUUORDSA-N -1 0 321.337 -0.811 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2nccn2C)C1 ZINC001589266829 953376071 /nfs/dbraw/zinc/37/60/71/953376071.db2.gz XSJWXTOKEOEJKC-WDEREUQCSA-N -1 0 322.365 -0.052 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(CCO)CC(F)F)C1 ZINC001589267038 953376224 /nfs/dbraw/zinc/37/62/24/953376224.db2.gz YLQZIMJWFWGZBA-IUCAKERBSA-N -1 0 322.308 -0.358 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(CCO)CC(F)F)C1 ZINC001589267035 953377037 /nfs/dbraw/zinc/37/70/37/953377037.db2.gz YLQZIMJWFWGZBA-BDAKNGLRSA-N -1 0 322.308 -0.358 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCc2cn(C)cn2)C1 ZINC001589266833 953377110 /nfs/dbraw/zinc/37/71/10/953377110.db2.gz XWOSMRQTSSJBAC-MNOVXSKESA-N -1 0 322.365 -0.352 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=NN(CCO)C(=O)CC2)C1 ZINC001589268938 953391964 /nfs/dbraw/zinc/39/19/64/953391964.db2.gz PRLCGYNPPNBBFJ-ZJUUUORDSA-N -1 0 311.338 -0.474 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2=NN(CCO)C(=O)CC2)C1 ZINC001589268934 953392633 /nfs/dbraw/zinc/39/26/33/953392633.db2.gz PRLCGYNPPNBBFJ-NXEZZACHSA-N -1 0 311.338 -0.474 20 0 DBADRM CC[C@@H](NC(=O)CN1CCCC2(CC2)S1(=O)=O)C(=O)[O-] ZINC001593601341 953411518 /nfs/dbraw/zinc/41/15/18/953411518.db2.gz JEWLCNNPJFAXOA-SECBINFHSA-N -1 0 304.368 -0.076 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2cn(C)c(=O)[nH]c2=O)C1 ZINC001589271569 953411647 /nfs/dbraw/zinc/41/16/47/953411647.db2.gz HIEOVYRTELYLMV-BDAKNGLRSA-N -1 0 324.337 -0.262 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCC[C@]1(O)CCOC1 ZINC001594754336 953461686 /nfs/dbraw/zinc/46/16/86/953461686.db2.gz PKSJKGLIZBIOQQ-AWEZNQCLSA-N -1 0 323.305 -0.624 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(N)=O ZINC001593610461 953470178 /nfs/dbraw/zinc/47/01/78/953470178.db2.gz YSERZHOXDZEZRC-NGZCFLSTSA-N -1 0 313.354 -0.674 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)c1nc2ncc(CCO)cn2n1)C(=O)[O-] ZINC001593614111 953485638 /nfs/dbraw/zinc/48/56/38/953485638.db2.gz DZAOLMSODBGXQY-WPRPVWTQSA-N -1 0 321.337 -0.112 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)NCCCn2ccnc2)CC1 ZINC001594758479 953487727 /nfs/dbraw/zinc/48/77/27/953487727.db2.gz PTPIJRGFHWETBG-UHFFFAOYSA-N -1 0 308.338 -0.287 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCNC(=O)c2cnccn2)[nH]n1 ZINC001594758723 953492317 /nfs/dbraw/zinc/49/23/17/953492317.db2.gz COYPUJSIGMLNHR-UHFFFAOYSA-N -1 0 304.266 -0.942 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2ccccn2)CCO1 ZINC001594763297 953520523 /nfs/dbraw/zinc/52/05/23/953520523.db2.gz WDOPNGYZSASJGW-LLVKDONJSA-N -1 0 307.306 -0.948 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCCc1cnccn1)C2 ZINC001594765650 953527387 /nfs/dbraw/zinc/52/73/87/953527387.db2.gz MLTCHIKOTJVOSP-QMTHXVAHSA-N -1 0 306.322 -0.238 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCCc1nnc[nH]1 ZINC001594765513 953528124 /nfs/dbraw/zinc/52/81/24/953528124.db2.gz IZAZMXAXMSJZMR-UHFFFAOYSA-N -1 0 304.266 -0.805 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCCc2cnccn2)CCC1 ZINC001594765807 953529462 /nfs/dbraw/zinc/52/94/62/953529462.db2.gz SPMGURNJUSOEDB-UHFFFAOYSA-N -1 0 306.322 -0.494 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)C2=NN(CCO)C(=O)CC2)cc1 ZINC001594769144 953549548 /nfs/dbraw/zinc/54/95/48/953549548.db2.gz RHNTUNJNXBVFJM-UHFFFAOYSA-N -1 0 319.317 -0.028 20 0 DBADRM CCc1cc(=O)n2[nH]c(NC(=O)[C@@](C)(OC)C(=O)[O-])nc2n1 ZINC001593627248 953561248 /nfs/dbraw/zinc/56/12/48/953561248.db2.gz IRACLYPJZKDHID-GFCCVEGCSA-N -1 0 309.282 -0.592 20 0 DBADRM C[C@@H]1C[C@@H](CO)CN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001589286020 953572931 /nfs/dbraw/zinc/57/29/31/953572931.db2.gz LEJAYZLIEGDPHW-UTUOFQBUSA-N -1 0 312.366 -0.214 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCc2cn3ccccc3n2)C1 ZINC001594777111 953596340 /nfs/dbraw/zinc/59/63/40/953596340.db2.gz NRMPIRILQFDNCE-JTQLQIEISA-N -1 0 316.317 -0.116 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCc2nc(C3CC3)no2)C1 ZINC001594777270 953599396 /nfs/dbraw/zinc/59/93/96/953599396.db2.gz SBEKHNQBUVVWKZ-QMMMGPOBSA-N -1 0 308.294 -0.504 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCc2nnc3n2CCCC3)C1 ZINC001594777506 953603531 /nfs/dbraw/zinc/60/35/31/953603531.db2.gz CVHRKIPTEDZFPA-VIFPVBQESA-N -1 0 321.337 -0.836 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)c2ncnn21 ZINC001589291736 953608815 /nfs/dbraw/zinc/60/88/15/953608815.db2.gz RAWFRHUMLCDNHX-SCZZXKLOSA-N -1 0 317.305 -0.040 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[C@]2(C(=O)[O-])CCCO2)CCS1(=O)=O ZINC001589292670 953618469 /nfs/dbraw/zinc/61/84/69/953618469.db2.gz HTSXBBSPDWXCTC-LNLATYFQSA-N -1 0 305.352 -0.298 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)NCCOCCOCC(=O)[O-])CCO1 ZINC001589293396 953621303 /nfs/dbraw/zinc/62/13/03/953621303.db2.gz NNAMHOSRVIFTRY-MNOVXSKESA-N -1 0 304.343 -0.029 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c2ncnn21 ZINC001589294198 953629199 /nfs/dbraw/zinc/62/91/99/953629199.db2.gz VAVQRCJJVKDUKE-UTLUCORTSA-N -1 0 321.337 -0.277 20 0 DBADRM C[C@H]1CC2(CC(NC(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)C2)CO1 ZINC001589296726 953653077 /nfs/dbraw/zinc/65/30/77/953653077.db2.gz RAKQFDPZFPPXBY-WZAYZJRCSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@H]1CC2(CC(NC(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)C2)CO1 ZINC001589296724 953653204 /nfs/dbraw/zinc/65/32/04/953653204.db2.gz RAKQFDPZFPPXBY-DINFMJHZSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@H]1CC2(CC(NC(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)C2)CO1 ZINC001589296727 953653431 /nfs/dbraw/zinc/65/34/31/953653431.db2.gz RAKQFDPZFPPXBY-ZNPWSYNXSA-N -1 0 310.350 -0.007 20 0 DBADRM CCc1ccnc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC001593642644 953662755 /nfs/dbraw/zinc/66/27/55/953662755.db2.gz RJWLNMQAHBNQKG-GFCCVEGCSA-N -1 0 321.333 -0.428 20 0 DBADRM CCc1c[nH]c(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001593645623 953672565 /nfs/dbraw/zinc/67/25/65/953672565.db2.gz KGSAWONAHCTDGJ-SECBINFHSA-N -1 0 315.351 -0.775 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001594789750 953687307 /nfs/dbraw/zinc/68/73/07/953687307.db2.gz GWSGMRSWTHCAQN-BUNZCYNESA-N -1 0 308.334 -0.352 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)C1 ZINC001594792686 953698641 /nfs/dbraw/zinc/69/86/41/953698641.db2.gz ZUYMWPOFWPRTQC-ZRUFSTJUSA-N -1 0 306.322 -0.604 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)C1 ZINC001594792683 953698664 /nfs/dbraw/zinc/69/86/64/953698664.db2.gz ZUYMWPOFWPRTQC-LMLFDSFASA-N -1 0 306.322 -0.604 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1nc2ncc(CCO)cn2n1 ZINC001594798460 953718364 /nfs/dbraw/zinc/71/83/64/953718364.db2.gz DWQUKEXTBJBFQS-KYZUINATSA-N -1 0 305.294 -0.748 20 0 DBADRM O=C([O-])c1cc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)ccc1O ZINC001594805486 953777958 /nfs/dbraw/zinc/77/79/58/953777958.db2.gz PYQUCWFGGHSGAS-IJLUTSLNSA-N -1 0 309.274 -0.558 20 0 DBADRM CCn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001593660246 953790480 /nfs/dbraw/zinc/79/04/80/953790480.db2.gz JIBUWCFBEMNVSV-MXWKQRLJSA-N -1 0 309.370 -0.054 20 0 DBADRM C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589310775 953792831 /nfs/dbraw/zinc/79/28/31/953792831.db2.gz ZTMWGNOBCYFIAM-AEJSXWLSSA-N -1 0 319.383 -0.634 20 0 DBADRM CCn1cc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])ccc1=O ZINC001593665971 953846887 /nfs/dbraw/zinc/84/68/87/953846887.db2.gz VTAPDPFYWWSTLR-VIFPVBQESA-N -1 0 309.322 -0.014 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cnc(F)c(F)c2)CCO1 ZINC001594814922 953849932 /nfs/dbraw/zinc/84/99/32/953849932.db2.gz BZIVFFJXIKNZSH-QMMMGPOBSA-N -1 0 315.232 -0.390 20 0 DBADRM CCn1ccc(CC(=O)N2CCO[C@](COC)(C(=O)[O-])C2)n1 ZINC001593666402 953855340 /nfs/dbraw/zinc/85/53/40/953855340.db2.gz UTNDCVUYCBCSNN-CQSZACIVSA-N -1 0 311.338 -0.226 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)CCCO1 ZINC001594815459 953858846 /nfs/dbraw/zinc/85/88/46/953858846.db2.gz ZJYMOVVVXNEGPE-XPTSAGLGSA-N -1 0 322.321 -0.170 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)CCCO1 ZINC001594815458 953858924 /nfs/dbraw/zinc/85/89/24/953858924.db2.gz ZJYMOVVVXNEGPE-OTYXRUKQSA-N -1 0 322.321 -0.170 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c1 ZINC001594816096 953859945 /nfs/dbraw/zinc/85/99/45/953859945.db2.gz CRUFXERAKWZZQG-PSASIEDQSA-N -1 0 319.273 -0.650 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N[C@@H](CCO)C2CC2)c1 ZINC001594816116 953861185 /nfs/dbraw/zinc/86/11/85/953861185.db2.gz DVDSMDDDPAMUDG-NSHDSACASA-N -1 0 307.306 -0.005 20 0 DBADRM CCn1[nH]c(C)nc1=NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593670114 953871428 /nfs/dbraw/zinc/87/14/28/953871428.db2.gz DCTACSQVKHCFQS-UHFFFAOYSA-N -1 0 305.294 -0.473 20 0 DBADRM CCn1nc(C)c(C(=O)N2CCO[C@](COC)(C(=O)[O-])C2)n1 ZINC001593670723 953879537 /nfs/dbraw/zinc/87/95/37/953879537.db2.gz OROWPJUYLDZHTK-CYBMUJFWSA-N -1 0 312.326 -0.451 20 0 DBADRM O=C([O-])c1c(NC(=O)c2cc[n+]([O-])cc2)nc2n1CCOC2 ZINC001594818170 953884076 /nfs/dbraw/zinc/88/40/76/953884076.db2.gz LJODTFKTVLCJCP-UHFFFAOYSA-N -1 0 304.262 -0.003 20 0 DBADRM O=C([O-])c1c(NC(=O)c2ccc(=O)[nH]n2)nc2n1CCOC2 ZINC001594818522 953889957 /nfs/dbraw/zinc/88/99/57/953889957.db2.gz SOUKCCVQRHBEMD-UHFFFAOYSA-N -1 0 305.250 -0.141 20 0 DBADRM C[C@@H]1CCCN(C(=O)C2CN(S(C)(=O)=O)C2)[C@@H]1C(=O)[O-] ZINC001589325194 953897146 /nfs/dbraw/zinc/89/71/46/953897146.db2.gz ADCWFMSSFKWOAN-SCZZXKLOSA-N -1 0 304.368 -0.411 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)C1CCC(CO)CC1 ZINC001593673906 953897384 /nfs/dbraw/zinc/89/73/84/953897384.db2.gz HIJWTHLCLXBDPL-MOENNCHZSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CCC(CO)CC1 ZINC001593674542 953904918 /nfs/dbraw/zinc/90/49/18/953904918.db2.gz UHILDRZFZTUYNQ-WSVSKBAQSA-N -1 0 312.366 -0.025 20 0 DBADRM O=C([O-])C(=O)COC(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC001594822636 953915209 /nfs/dbraw/zinc/91/52/09/953915209.db2.gz DCOHRZOOWZCPIW-UHFFFAOYSA-N -1 0 321.285 -0.031 20 0 DBADRM CN(C(=O)C1(C(=O)[O-])CC=CC1)N1CCS(=O)(=O)CC1 ZINC001593675406 953918788 /nfs/dbraw/zinc/91/87/88/953918788.db2.gz BBULJLJKTYFXGH-UHFFFAOYSA-N -1 0 302.352 -0.489 20 0 DBADRM O=C([O-])C(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 ZINC001594823403 953926305 /nfs/dbraw/zinc/92/63/05/953926305.db2.gz MXEAVZPYGWQBJN-ZCFIWIBFSA-N -1 0 320.348 -0.207 20 0 DBADRM C[C@@H]1CCCN(C(=O)c2cnn(C[C@H](O)CO)c2)[C@@H]1C(=O)[O-] ZINC001589328048 953928065 /nfs/dbraw/zinc/92/80/65/953928065.db2.gz MKJKSTMOMJMWCE-USWWRNFRSA-N -1 0 311.338 -0.438 20 0 DBADRM CN(C(=O)[C@]1(C(=O)[O-])CC1(C)C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001593676392 953932619 /nfs/dbraw/zinc/93/26/19/953932619.db2.gz NDDARNTUUPKOCM-ZANVPECISA-N -1 0 318.395 -0.020 20 0 DBADRM CN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)N1CCS(=O)(=O)CC1 ZINC001593676549 953933551 /nfs/dbraw/zinc/93/35/51/953933551.db2.gz QSOPDCRHUUKSKP-SECBINFHSA-N -1 0 306.384 -0.163 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2CSCCS2)CC1 ZINC001594825716 953938273 /nfs/dbraw/zinc/93/82/73/953938273.db2.gz OTRQOJOBMSUOKQ-MRVPVSSYSA-N -1 0 304.393 -0.410 20 0 DBADRM C[C@@H]1CCCN(C(=O)c2nc(N)nc(N(C)C)n2)[C@H]1C(=O)[O-] ZINC001589328968 953938272 /nfs/dbraw/zinc/93/82/72/953938272.db2.gz VWFRCIYMSVZTFJ-HTQZYQBOSA-N -1 0 308.342 -0.155 20 0 DBADRM CN(C(=O)C(=O)Nc1cncc(C(=O)[O-])c1)[C@H]1CCNC1=O ZINC001593676924 953939427 /nfs/dbraw/zinc/93/94/27/953939427.db2.gz YPURJDKMXLUOTP-VIFPVBQESA-N -1 0 306.278 -0.935 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC001594825976 953939474 /nfs/dbraw/zinc/93/94/74/953939474.db2.gz STMDUADMOVXTRC-SNVBAGLBSA-N -1 0 306.322 -0.799 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)/C=C/c2cncc(O)c2)CC1 ZINC001594825996 953939507 /nfs/dbraw/zinc/93/95/07/953939507.db2.gz URTIXPCMPGIRBQ-OWOJBTEDSA-N -1 0 305.290 -0.444 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)NCCOCCOCC(=O)[O-] ZINC001589332165 953949449 /nfs/dbraw/zinc/94/94/49/953949449.db2.gz APJUKEMCTZSHSZ-JTQLQIEISA-N -1 0 310.372 -0.577 20 0 DBADRM O=C([O-])C(=O)N1CCN(CCCNC(=O)C(F)(F)F)CC1 ZINC001594828161 953953816 /nfs/dbraw/zinc/95/38/16/953953816.db2.gz CMRQCBGNAVLANA-UHFFFAOYSA-N -1 0 311.260 -0.716 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cnc(C3CC3)nc2)CC1 ZINC001594828243 953955743 /nfs/dbraw/zinc/95/57/43/953955743.db2.gz NDMMJNZXSATGFU-UHFFFAOYSA-N -1 0 304.306 -0.277 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cnn3c2NCCC3)CC1 ZINC001594828364 953957040 /nfs/dbraw/zinc/95/70/40/953957040.db2.gz XZICRPIBWLMPFR-UHFFFAOYSA-N -1 0 307.310 -0.932 20 0 DBADRM O=C([O-])[C@@H](C(=O)NC1CCN([C@@H]2CCOC2=O)CC1)C1CC1 ZINC001594832623 953988206 /nfs/dbraw/zinc/98/82/06/953988206.db2.gz JFKRSWCEXNWARA-VXGBXAGGSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H](C(=O)NC1CCN([C@@H]2CCOC2=O)CC1)C1CC1 ZINC001594832618 953988355 /nfs/dbraw/zinc/98/83/55/953988355.db2.gz JFKRSWCEXNWARA-NEPJUHHUSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@H]1CCN(C(=O)C2(CS(C)(=O)=O)COC2)C[C@@H]1C(=O)[O-] ZINC001589335568 953992049 /nfs/dbraw/zinc/99/20/49/953992049.db2.gz HELJMIDQFFEGOY-UWVGGRQHSA-N -1 0 319.379 -0.383 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001593686646 953992134 /nfs/dbraw/zinc/99/21/34/953992134.db2.gz FBJNMBZFAOXNJG-HZMBPMFUSA-N -1 0 313.354 -0.166 20 0 DBADRM C[C@H]1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CCS1(=O)=O ZINC001589335933 953993094 /nfs/dbraw/zinc/99/30/94/953993094.db2.gz HZDCXIRTUFIJFH-IONNQARKSA-N -1 0 304.324 -0.749 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)n1 ZINC001593687578 953998523 /nfs/dbraw/zinc/99/85/23/953998523.db2.gz UKWVTOBBZYTDLN-QMMMGPOBSA-N -1 0 309.282 -0.861 20 0 DBADRM CN(C)C(=O)O[C@H]1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001593687545 953998666 /nfs/dbraw/zinc/99/86/66/953998666.db2.gz WROCQSQTJDUICI-TVQRCGJNSA-N -1 0 300.311 -0.081 20 0 DBADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001593687643 954000320 /nfs/dbraw/zinc/00/03/20/954000320.db2.gz XQYRVGWVPULGHT-IINYFYTJSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC001593688211 954001617 /nfs/dbraw/zinc/00/16/17/954001617.db2.gz BWHQOHRMLPCZBY-CYBMUJFWSA-N -1 0 311.382 -0.234 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001593688198 954001841 /nfs/dbraw/zinc/00/18/41/954001841.db2.gz AXWBXADEXMAIIK-UHFFFAOYSA-N -1 0 311.382 -0.090 20 0 DBADRM O=C([O-])[C@H](C(=O)NCC1(OCCO)CCOCC1)C1CC1 ZINC001594833507 954002941 /nfs/dbraw/zinc/00/29/41/954002941.db2.gz FWDILAMJZMMGQW-NSHDSACASA-N -1 0 301.339 -0.229 20 0 DBADRM O=C([O-])[C@@H](C(=O)NC[C@]1(O)CCS(=O)(=O)C1)C1CCCC1 ZINC001594834371 954016960 /nfs/dbraw/zinc/01/69/60/954016960.db2.gz ZHTQICZLXGENRK-ZWNOBZJWSA-N -1 0 319.379 -0.457 20 0 DBADRM C[C@@H]1CCN(C(=O)c2nc(N)nc(N(C)C)n2)C[C@@H]1C(=O)[O-] ZINC001589351197 954080931 /nfs/dbraw/zinc/08/09/31/954080931.db2.gz SMUDBCKKBLWCAZ-SFYZADRCSA-N -1 0 308.342 -0.297 20 0 DBADRM CN(C)Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)no1 ZINC001593701957 954125521 /nfs/dbraw/zinc/12/55/21/954125521.db2.gz HTCJIPNPDKYLDU-YMTOWFKASA-N -1 0 309.322 -0.091 20 0 DBADRM O=C([O-])C1(C(=O)N(CCO)CC2CC2)CCS(=O)(=O)CC1 ZINC001594845349 954138303 /nfs/dbraw/zinc/13/83/03/954138303.db2.gz YHDFWMNQHYDONL-UHFFFAOYSA-N -1 0 319.379 -0.503 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001593704348 954145984 /nfs/dbraw/zinc/14/59/84/954145984.db2.gz SKGLEJLRBDMJGP-DTORHVGOSA-N -1 0 319.383 -0.427 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)CCCO1 ZINC001594847548 954157557 /nfs/dbraw/zinc/15/75/57/954157557.db2.gz MLRVNGGBLZEACC-OUJBWJOFSA-N -1 0 317.363 -0.487 20 0 DBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)C1(C(=O)[O-])CCC1 ZINC001593708196 954157542 /nfs/dbraw/zinc/15/75/42/954157542.db2.gz JUDWCBWIEHXSES-UHFFFAOYSA-N -1 0 308.356 -0.477 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)OCCC1(C(=O)[O-])CCC1 ZINC001593708277 954158694 /nfs/dbraw/zinc/15/86/94/954158694.db2.gz OWXMAHKTKLCFEW-UHFFFAOYSA-N -1 0 322.383 -0.087 20 0 DBADRM C[C@@H]1CCN(c2nnnn2[C@H]2CCN(C)C2=O)C[C@@H]1C(=O)[O-] ZINC001589362497 954161962 /nfs/dbraw/zinc/16/19/62/954161962.db2.gz OPEALSYXHKCECY-UTLUCORTSA-N -1 0 308.342 -0.377 20 0 DBADRM C[C@H]1CCS(=O)(=O)CCN1CN1C[C@@H](C(=O)[O-])CC1=O ZINC001589362914 954164362 /nfs/dbraw/zinc/16/43/62/954164362.db2.gz UCXDSJKDIUSNND-UWVGGRQHSA-N -1 0 304.368 -0.614 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CCN(c3ncc(F)cn3)CC2)CCCO1 ZINC001594849038 954164732 /nfs/dbraw/zinc/16/47/32/954164732.db2.gz IZPNWFXYSDTJFZ-CQSZACIVSA-N -1 0 324.312 -0.102 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)CCCO1 ZINC001594849606 954170058 /nfs/dbraw/zinc/17/00/58/954170058.db2.gz CPBYBAYJOYNFAW-SMDDNHRTSA-N -1 0 324.337 -0.432 20 0 DBADRM CN(C)c1ccc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001593709095 954173472 /nfs/dbraw/zinc/17/34/72/954173472.db2.gz ROIWPKLYSVQBRQ-SNVBAGLBSA-N -1 0 307.306 -0.010 20 0 DBADRM CN(C)c1c(COC(=O)CCC(=O)[O-])c(=O)n(C)c(=O)n1C ZINC001593709523 954179724 /nfs/dbraw/zinc/17/97/24/954179724.db2.gz ZOGROIIHEPRLLC-UHFFFAOYSA-N -1 0 313.310 -0.942 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1)C(=O)[O-] ZINC001589365785 954190866 /nfs/dbraw/zinc/19/08/66/954190866.db2.gz WARAGWJYSWAUIR-RBZYPMLTSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@]1(C)CO ZINC001589365884 954191677 /nfs/dbraw/zinc/19/16/77/954191677.db2.gz AFXKIEHQHCXAAZ-LKFCYVNXSA-N -1 0 324.337 -0.617 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C[C@]1(C)CO ZINC001589366251 954198965 /nfs/dbraw/zinc/19/89/65/954198965.db2.gz LUKLNYIZRRDEEW-KIGUWFBYSA-N -1 0 312.366 -0.167 20 0 DBADRM CN(CC(=O)N1CCCC1)C(=O)C(=O)NCCCCC(=O)[O-] ZINC001593716544 954223671 /nfs/dbraw/zinc/22/36/71/954223671.db2.gz VHEVDJJAMMJLAB-UHFFFAOYSA-N -1 0 313.354 -0.562 20 0 DBADRM CN([C@@]1(CO)CCOC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001593716598 954225574 /nfs/dbraw/zinc/22/55/74/954225574.db2.gz BAKVGYLEYGVJPV-GFCCVEGCSA-N -1 0 322.383 -0.889 20 0 DBADRM CN(CC(=O)NCc1ccccc1C(=O)[O-])S(C)(=O)=O ZINC001593719037 954238944 /nfs/dbraw/zinc/23/89/44/954238944.db2.gz JDBLJIFUEDQHNS-UHFFFAOYSA-N -1 0 300.336 -0.108 20 0 DBADRM C[C@@H]1CN(C(=O)C2(CC(=O)[O-])CCOCC2)C[C@H](CO)O1 ZINC001589375093 954245855 /nfs/dbraw/zinc/24/58/55/954245855.db2.gz PKHAZNFAZOABLO-GHMZBOCLSA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])[C@]1(C(=O)NCC[C@H]2CCCS2(=O)=O)CCCO1 ZINC001594859234 954262495 /nfs/dbraw/zinc/26/24/95/954262495.db2.gz YCZFEUBOGAWGIU-BXKDBHETSA-N -1 0 305.352 -0.296 20 0 DBADRM C[C@@H]1CN(C(=O)NCC(=O)N=S(C)(C)=O)CC[C@H]1C(=O)[O-] ZINC001589376849 954265213 /nfs/dbraw/zinc/26/52/13/954265213.db2.gz HGOFIKPYASHVPQ-RKDXNWHRSA-N -1 0 319.383 -0.007 20 0 DBADRM CN(CC1=CCSC1)C(=O)C(=O)NCCOCC(=O)[O-] ZINC001593726419 954275212 /nfs/dbraw/zinc/27/52/12/954275212.db2.gz FLVHRRAGKVUKBR-UHFFFAOYSA-N -1 0 302.352 -0.665 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NCCN=S2(=O)CCCC2)CCCO1 ZINC001594861097 954276524 /nfs/dbraw/zinc/27/65/24/954276524.db2.gz KQYDKRZCHZXBRG-LBPRGKRZSA-N -1 0 304.368 -0.002 20 0 DBADRM O=C([O-])C1(C(=O)NCCS(=O)(=O)CC2CC2)CCOCC1 ZINC001594862179 954282523 /nfs/dbraw/zinc/28/25/23/954282523.db2.gz OKFBHUMTIBHGPZ-UHFFFAOYSA-N -1 0 319.379 -0.191 20 0 DBADRM C[C@@H]1CN(C(=O)NCc2cn(C)c(=O)[nH]c2=O)CC[C@@H]1C(=O)[O-] ZINC001589382608 954288559 /nfs/dbraw/zinc/28/85/59/954288559.db2.gz HRZJGUVZNVBWEK-SCZZXKLOSA-N -1 0 324.337 -0.262 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593727719 954292584 /nfs/dbraw/zinc/29/25/84/954292584.db2.gz MGSXGDBXONPLOZ-IJLUTSLNSA-N -1 0 315.370 -0.816 20 0 DBADRM O=C([O-])C1(C(=O)NCCc2ccon2)CCS(=O)(=O)CC1 ZINC001594863678 954302185 /nfs/dbraw/zinc/30/21/85/954302185.db2.gz NBVJHIWJKYHFHB-UHFFFAOYSA-N -1 0 316.335 -0.387 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593728773 954302751 /nfs/dbraw/zinc/30/27/51/954302751.db2.gz NDZULWPGFSZIPH-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])C1(C(=O)NCc2nc3ncccn3n2)CCOCC1 ZINC001594864495 954310527 /nfs/dbraw/zinc/31/05/27/954310527.db2.gz FPENHUPNOVHAGX-UHFFFAOYSA-N -1 0 305.294 -0.378 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC(n2ccnc2)CC1 ZINC001593731132 954318607 /nfs/dbraw/zinc/31/86/07/954318607.db2.gz FUBSMMCGVOYRTD-UHFFFAOYSA-N -1 0 308.338 -0.020 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC001593731303 954319239 /nfs/dbraw/zinc/31/92/39/954319239.db2.gz JHCPVLXSZOBBCJ-SNVBAGLBSA-N -1 0 314.338 -0.469 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC001593731298 954319900 /nfs/dbraw/zinc/31/99/00/954319900.db2.gz JBABDPOEADPDKH-JTQLQIEISA-N -1 0 311.338 -0.953 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCc1nnc(C2CC2)s1 ZINC001593731652 954320699 /nfs/dbraw/zinc/32/06/99/954320699.db2.gz QZPBUAQINNVJFN-UHFFFAOYSA-N -1 0 312.351 -0.035 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC001593731622 954321015 /nfs/dbraw/zinc/32/10/15/954321015.db2.gz OZCLMYNFTNBTQU-SNVBAGLBSA-N -1 0 312.244 -0.555 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@H](C2OCCO2)C1 ZINC001593731803 954322112 /nfs/dbraw/zinc/32/21/12/954322112.db2.gz USLKSGPICRDPPE-VIFPVBQESA-N -1 0 300.311 -0.859 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC001593731725 954322751 /nfs/dbraw/zinc/32/27/51/954322751.db2.gz SJMCWARVYZKZJT-NXEZZACHSA-N -1 0 314.338 -0.676 20 0 DBADRM O=C([O-])C1(C(=O)N[C@H]2CC[C@H](O)CC2)CCS(=O)(=O)CC1 ZINC001594868670 954325270 /nfs/dbraw/zinc/32/52/70/954325270.db2.gz BUVBFUXWEKNVNE-MGCOHNPYSA-N -1 0 319.379 -0.314 20 0 DBADRM C[C@H]1CN(C(=O)c2nc(N)nc(N(C)C)n2)CC[C@H]1C(=O)[O-] ZINC001589391751 954327452 /nfs/dbraw/zinc/32/74/52/954327452.db2.gz FBRMPJRUAQQKQP-JGVFFNPUSA-N -1 0 308.342 -0.297 20 0 DBADRM C[C@@H]1CN(C(=O)c2nc(N)nc(N(C)C)n2)CC[C@H]1C(=O)[O-] ZINC001589391748 954328967 /nfs/dbraw/zinc/32/89/67/954328967.db2.gz FBRMPJRUAQQKQP-HTQZYQBOSA-N -1 0 308.342 -0.297 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001593744483 954373820 /nfs/dbraw/zinc/37/38/20/954373820.db2.gz SNGHAYKKOOUFIB-ZDUSSCGKSA-N -1 0 315.326 -0.286 20 0 DBADRM CNC(=O)C1CC[NH+](CC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000385774081 972013548 /nfs/dbraw/zinc/01/35/48/972013548.db2.gz KFPWJQMDINJCAA-UHFFFAOYSA-N -1 0 311.382 -0.232 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)C1 ZINC001594884906 954454349 /nfs/dbraw/zinc/45/43/49/954454349.db2.gz AQHPROZTLDHMBL-KOLCDFICSA-N -1 0 323.309 -0.837 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)C1 ZINC001594884947 954454573 /nfs/dbraw/zinc/45/45/73/954454573.db2.gz BBNPLHZJINBOCT-XVKPBYJWSA-N -1 0 321.293 -0.574 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)C1 ZINC001594885009 954455105 /nfs/dbraw/zinc/45/51/05/954455105.db2.gz CKAINRTXWOMVQR-KWQFWETISA-N -1 0 309.322 -0.267 20 0 DBADRM CN(CCn1cccn1)C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593756813 954458857 /nfs/dbraw/zinc/45/88/57/954458857.db2.gz HPUSKVYQVPWUIB-UHFFFAOYSA-N -1 0 308.338 -0.335 20 0 DBADRM CN(CCc1cnccn1)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001593756776 954459552 /nfs/dbraw/zinc/45/95/52/954459552.db2.gz GJKINNIMQBVCIH-OAHLLOKOSA-N -1 0 320.349 -0.199 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCN(c3ncc(F)cn3)CC2)C1 ZINC001594888131 954480628 /nfs/dbraw/zinc/48/06/28/954480628.db2.gz AKRVMQLDGANSCH-JTQLQIEISA-N -1 0 323.284 -0.506 20 0 DBADRM C[C@H]1COCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589408948 954498460 /nfs/dbraw/zinc/49/84/60/954498460.db2.gz POZNFPRNZVEUDJ-VHSXEESVSA-N -1 0 324.337 -0.305 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)NCCOCCOCC(=O)[O-] ZINC001593764351 954500666 /nfs/dbraw/zinc/50/06/66/954500666.db2.gz GACKXXBQYXCDEM-UHFFFAOYSA-N -1 0 314.342 -0.321 20 0 DBADRM C[C@H]1COCC[C@@H]1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC001589409099 954501109 /nfs/dbraw/zinc/50/11/09/954501109.db2.gz QXJLPPDDOVIRNB-UWVGGRQHSA-N -1 0 307.368 -0.035 20 0 DBADRM C[C@H]1COCC[C@H]1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC001589409100 954501141 /nfs/dbraw/zinc/50/11/41/954501141.db2.gz QXJLPPDDOVIRNB-VHSXEESVSA-N -1 0 307.368 -0.035 20 0 DBADRM CN(Cc1cn[nH]c1)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593764448 954502220 /nfs/dbraw/zinc/50/22/20/954502220.db2.gz LPGJNWKVQCOOSZ-UHFFFAOYSA-N -1 0 315.351 -0.352 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001589409179 954502591 /nfs/dbraw/zinc/50/25/91/954502591.db2.gz UEDIAKQQTXSRCD-MRVPVSSYSA-N -1 0 313.335 -0.176 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)C1 ZINC001594889529 954502657 /nfs/dbraw/zinc/50/26/57/954502657.db2.gz HDZKRGRPKNQKNB-BBVRLYRLSA-N -1 0 310.228 -0.155 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@@H]2Cc3cnccc3NC2=O)C1 ZINC001594890030 954510403 /nfs/dbraw/zinc/51/04/03/954510403.db2.gz GLMBNKLIAAPVJB-SCZZXKLOSA-N -1 0 304.262 -0.710 20 0 DBADRM CN(Cc1nccn1C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593765395 954513404 /nfs/dbraw/zinc/51/34/04/954513404.db2.gz OAWUTSFAPCPAIP-SNVBAGLBSA-N -1 0 308.338 -0.298 20 0 DBADRM CN(Cc1nc[nH]n1)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593765556 954514107 /nfs/dbraw/zinc/51/41/07/954514107.db2.gz UVDZQZMEOKKLGA-UHFFFAOYSA-N -1 0 316.339 -0.957 20 0 DBADRM C[C@H]1NC(C(=O)N2CC(C(=O)[O-])C2)=NN(c2ccccc2)C1=O ZINC001589412650 954530193 /nfs/dbraw/zinc/53/01/93/954530193.db2.gz HYAFJSQJVPOGTL-SECBINFHSA-N -1 0 316.317 -0.132 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593768863 954535372 /nfs/dbraw/zinc/53/53/72/954535372.db2.gz KONUGGGLCVUKFK-VHSXEESVSA-N -1 0 311.338 -0.811 20 0 DBADRM CN1C(=O)CN(CC(=O)N(CC(=O)[O-])c2ccccc2)C1=O ZINC001593768760 954535967 /nfs/dbraw/zinc/53/59/67/954535967.db2.gz IQVIEEIXAROBFP-UHFFFAOYSA-N -1 0 305.290 -0.002 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCCc2nnc3n2CCCC3)C1 ZINC001594892303 954544195 /nfs/dbraw/zinc/54/41/95/954544195.db2.gz SBBJDOKPWUQHAR-VIFPVBQESA-N -1 0 307.310 -0.497 20 0 DBADRM CN1C(=O)COc2ccc(C(=O)NCCOCC(=O)[O-])cc21 ZINC001593772111 954546679 /nfs/dbraw/zinc/54/66/79/954546679.db2.gz WQKCISDXYULKEW-UHFFFAOYSA-N -1 0 308.290 -0.127 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)C1 ZINC001594892498 954547116 /nfs/dbraw/zinc/54/71/16/954547116.db2.gz RYOXTIZQEQUDGE-PEXQALLHSA-N -1 0 310.306 -0.188 20 0 DBADRM CN([C@@H]1CCC(=O)N(C)C1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593772818 954555698 /nfs/dbraw/zinc/55/56/98/954555698.db2.gz QVBJHDWTHHJHOX-ZJUUUORDSA-N -1 0 319.383 -0.667 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CCC1=O ZINC001593772853 954556339 /nfs/dbraw/zinc/55/63/39/954556339.db2.gz SGNKEVRNFROSGT-OTYXRUKQSA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)[C@H](O)C3CC3)CC2)C1 ZINC001594894907 954558579 /nfs/dbraw/zinc/55/85/79/954558579.db2.gz BYLHDRIOZXOOOR-GXFFZTMASA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001594896101 954567230 /nfs/dbraw/zinc/56/72/30/954567230.db2.gz MGXCCYPEXKLWEV-GXSJLCMTSA-N -1 0 323.349 -0.953 20 0 DBADRM CN1CC2(CN(C(=O)[C@H]3CO[C@@H](CCC(=O)[O-])C3)C2)OC1=O ZINC001593773852 954571416 /nfs/dbraw/zinc/57/14/16/954571416.db2.gz LEUSFVZBOOKHRH-ZJUUUORDSA-N -1 0 312.322 -0.081 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCC[C@H](C(=O)NC3CC3)C2)C1 ZINC001594897583 954581950 /nfs/dbraw/zinc/58/19/50/954581950.db2.gz ADHBJIFVWYKJEM-WDEREUQCSA-N -1 0 309.366 -0.132 20 0 DBADRM CN1CC[C@H](C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)C1=O ZINC001593775024 954594748 /nfs/dbraw/zinc/59/47/48/954594748.db2.gz YOJIZGOWHBUXAA-SSDOTTSWSA-N -1 0 308.294 -0.472 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCC[C@H]2CN2CCOCC2)C1 ZINC001594898927 954597383 /nfs/dbraw/zinc/59/73/83/954597383.db2.gz VFLDWGQDIKEEFE-OLZOCXBDSA-N -1 0 311.382 -0.326 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])C1 ZINC001589426006 954619688 /nfs/dbraw/zinc/61/96/88/954619688.db2.gz ZKWCCJJCCQPLRA-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM CN1CCN(C(=O)C(=O)NCCCC(=O)[O-])Cc2cccnc21 ZINC001593781113 954664178 /nfs/dbraw/zinc/66/41/78/954664178.db2.gz HKLHHNSUZSGNEE-UHFFFAOYSA-N -1 0 320.349 -0.159 20 0 DBADRM CN1CCN(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC001593784338 954682496 /nfs/dbraw/zinc/68/24/96/954682496.db2.gz DUPLVOQTEMGYKJ-NWDGAFQWSA-N -1 0 317.411 -0.479 20 0 DBADRM CN1CCO[C@@H](C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001593786720 954706775 /nfs/dbraw/zinc/70/67/75/954706775.db2.gz DMOZYSOITPXTDJ-HFXYEQLZSA-N -1 0 312.366 -0.154 20 0 DBADRM CN1CCc2ccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])cc21 ZINC001593786839 954709701 /nfs/dbraw/zinc/70/97/01/954709701.db2.gz RBOXXHMUVWALGX-OAHLLOKOSA-N -1 0 321.333 -0.431 20 0 DBADRM CN1CCn2ncc(C(=O)NCCCC(=O)[O-])c2S1(=O)=O ZINC001593787018 954713029 /nfs/dbraw/zinc/71/30/29/954713029.db2.gz VIXMPQDZFFXFJP-UHFFFAOYSA-N -1 0 316.339 -0.888 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])C1=O ZINC001593787174 954717684 /nfs/dbraw/zinc/71/76/84/954717684.db2.gz RZXKYWOHOAPPFP-QWRGUYRKSA-N -1 0 307.306 -0.949 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001593787395 954723687 /nfs/dbraw/zinc/72/36/87/954723687.db2.gz GNQDKVIALCWOBR-AXFHLTTASA-N -1 0 306.384 -0.510 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593787472 954725470 /nfs/dbraw/zinc/72/54/70/954725470.db2.gz KYDOZFPUVJUSSR-WOPDTQHZSA-N -1 0 300.355 -0.297 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC001593788118 954735763 /nfs/dbraw/zinc/73/57/63/954735763.db2.gz IXZORTZJAIBFET-JTQLQIEISA-N -1 0 323.353 -0.697 20 0 DBADRM CNC(=O)CCCCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001593790612 954754649 /nfs/dbraw/zinc/75/46/49/954754649.db2.gz CSKRZLWYRUBFGT-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC(F)(F)C[C@H]2CO)C1 ZINC001594916644 954760013 /nfs/dbraw/zinc/76/00/13/954760013.db2.gz ORPPRSSXHLUMRW-YUMQZZPRSA-N -1 0 306.265 -0.852 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)COCC(=O)[O-])c2ccccc2O1 ZINC001593791784 954761421 /nfs/dbraw/zinc/76/14/21/954761421.db2.gz JJGCSTLRVPAXPH-NSHDSACASA-N -1 0 308.290 -0.372 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)COCC(=O)[O-])c2ccccc2O1 ZINC001593791783 954761489 /nfs/dbraw/zinc/76/14/89/954761489.db2.gz JJGCSTLRVPAXPH-LLVKDONJSA-N -1 0 308.290 -0.372 20 0 DBADRM CNC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001593791830 954763728 /nfs/dbraw/zinc/76/37/28/954763728.db2.gz MNVOXOAXLIQLCW-QMMMGPOBSA-N -1 0 320.305 -0.687 20 0 DBADRM CCC(C)(C)C(=O)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001589446882 954771104 /nfs/dbraw/zinc/77/11/04/954771104.db2.gz FTAMJWHHHBCIAB-QMMMGPOBSA-N -1 0 305.352 -0.298 20 0 DBADRM CNC(=O)CN1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001593793719 954786858 /nfs/dbraw/zinc/78/68/58/954786858.db2.gz VZLWPBRJSNRXLK-UHFFFAOYSA-N -1 0 321.337 -0.931 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001593794269 954793879 /nfs/dbraw/zinc/79/38/79/954793879.db2.gz IJTOPEVIJSVZAO-UWVGGRQHSA-N -1 0 310.354 -0.070 20 0 DBADRM CNC(=O)NC[C@@H]1CCCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001593795081 954802805 /nfs/dbraw/zinc/80/28/05/954802805.db2.gz NICIVFYCQFFVMH-WDEREUQCSA-N -1 0 312.370 -0.545 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)c2cnc(C(=O)[O-])cn2)cc1C ZINC001593795082 954803203 /nfs/dbraw/zinc/80/32/03/954803203.db2.gz NKGQEAUHNDHWAF-UHFFFAOYSA-N -1 0 318.293 -0.322 20 0 DBADRM CC[C@](C)(CCO)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589452280 954811753 /nfs/dbraw/zinc/81/17/53/954811753.db2.gz RHAXYBAVCKJKMW-QMTHXVAHSA-N -1 0 300.355 -0.023 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593797359 954817884 /nfs/dbraw/zinc/81/78/84/954817884.db2.gz HNEVCACOHZRRSZ-RQJHMYQMSA-N -1 0 311.298 -0.627 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC001593797877 954825091 /nfs/dbraw/zinc/82/50/91/954825091.db2.gz DJRKWOSLRZZEJQ-JTQLQIEISA-N -1 0 321.399 -0.612 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC001593797805 954825101 /nfs/dbraw/zinc/82/51/01/954825101.db2.gz BOSSDAIKAPMVGC-JTQLQIEISA-N -1 0 316.335 -0.947 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001593797899 954825520 /nfs/dbraw/zinc/82/55/20/954825520.db2.gz DPBVWIPLVHQAHC-JTQLQIEISA-N -1 0 306.384 -0.067 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593798069 954825981 /nfs/dbraw/zinc/82/59/81/954825981.db2.gz IXUZBZDVZBNBOO-GUBZILKMSA-N -1 0 319.383 -0.427 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N(C)C[C@@H](C)C(=O)[O-])CC1 ZINC001593798165 954828214 /nfs/dbraw/zinc/82/82/14/954828214.db2.gz MUUWRWNVXGYUBJ-SECBINFHSA-N -1 0 321.399 -0.658 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001593798261 954829197 /nfs/dbraw/zinc/82/91/97/954829197.db2.gz QJVZPQPRTHRKIN-UWVGGRQHSA-N -1 0 321.399 -0.322 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001593798200 954829456 /nfs/dbraw/zinc/82/94/56/954829456.db2.gz OBDDHYBCPWXURG-BXKDBHETSA-N -1 0 320.367 -0.840 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001593798342 954830683 /nfs/dbraw/zinc/83/06/83/954830683.db2.gz UQOVXXMBNWNBBL-KXUCPTDWSA-N -1 0 304.368 -0.363 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N1CCC(C(=O)[O-])CC1 ZINC001593798406 954832601 /nfs/dbraw/zinc/83/26/01/954832601.db2.gz WGGSAZRXYCGLAA-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@H](OC)C(=O)[O-])c1C ZINC001593801125 954847796 /nfs/dbraw/zinc/84/77/96/954847796.db2.gz DWZIYCUJQBWWDK-JTQLQIEISA-N -1 0 316.335 -0.059 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2CCn3ccnc32)CC1 ZINC001594939203 954864993 /nfs/dbraw/zinc/86/49/93/954864993.db2.gz KHNWWORYVVRFSR-SNVBAGLBSA-N -1 0 314.367 -0.041 20 0 DBADRM CNc1cnc(C(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)cn1 ZINC001593803539 954868696 /nfs/dbraw/zinc/86/86/96/954868696.db2.gz HALBAGKDNFUPTH-ZDUSSCGKSA-N -1 0 310.310 -0.540 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)N2CC[C@](O)(C(=O)[O-])C2)s1 ZINC000386383605 972048997 /nfs/dbraw/zinc/04/89/97/972048997.db2.gz ANLLFPQKVLKSEA-CYBMUJFWSA-N -1 0 312.347 -0.166 20 0 DBADRM O=C([O-])[C@H]1CCN(c2nnnn2CCCN2CCOCC2)C1 ZINC001594940636 954884209 /nfs/dbraw/zinc/88/42/09/954884209.db2.gz LHDVVPMOXKIBEU-NSHDSACASA-N -1 0 310.358 -0.694 20 0 DBADRM O=C([O-])[C@H]1CCN(c2nnnn2C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC001594940754 954885530 /nfs/dbraw/zinc/88/55/30/954885530.db2.gz NXBQHRXTLORLTA-VLEAKVRGSA-N -1 0 309.326 -0.612 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC001594940756 954885966 /nfs/dbraw/zinc/88/59/66/954885966.db2.gz NXBQHRXTLORLTA-ZNSHCXBVSA-N -1 0 309.326 -0.612 20 0 DBADRM CC[C@H](C[C@@H](C)O)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589466549 954908844 /nfs/dbraw/zinc/90/88/44/954908844.db2.gz HKSSBXLLZUPKNA-NXEZZACHSA-N -1 0 321.395 -0.068 20 0 DBADRM CC[C@H](C[C@@H](C)O)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589467464 954914150 /nfs/dbraw/zinc/91/41/50/954914150.db2.gz TXZNSPFRYHTEMY-MXWKQRLJSA-N -1 0 300.355 -0.025 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC001594947352 954922630 /nfs/dbraw/zinc/92/26/30/954922630.db2.gz NTQOUTSKKZXBQO-VHSXEESVSA-N -1 0 320.367 -0.694 20 0 DBADRM COC(=O)[C@H](NC(=O)[C@H](OC)C(=O)[O-])[C@@H]1CCC[C@H](OC)C1 ZINC001593810291 954929585 /nfs/dbraw/zinc/92/95/85/954929585.db2.gz GWLOVRHURWKJJR-YTWAJWBKSA-N -1 0 317.338 -0.051 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001589473728 954938948 /nfs/dbraw/zinc/93/89/48/954938948.db2.gz JQNKHCBMGVKYQA-LLVKDONJSA-N -1 0 307.368 -0.457 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001593811747 954948265 /nfs/dbraw/zinc/94/82/65/954948265.db2.gz RTIFPRKOHBDBJX-IINYFYTJSA-N -1 0 315.322 -0.607 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)CCNC(=O)c2ccsc2)C1 ZINC000386472684 972056879 /nfs/dbraw/zinc/05/68/79/972056879.db2.gz PFCLHVHLRDALIX-CYBMUJFWSA-N -1 0 312.347 -0.084 20 0 DBADRM COC(=O)C1(C(=O)OCC(=O)NCC(=O)[O-])CC2(CCC2)C1 ZINC001593812465 954960364 /nfs/dbraw/zinc/96/03/64/954960364.db2.gz DODOHNFJWZZZIO-UHFFFAOYSA-N -1 0 313.306 -0.146 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2CCO[C@@H]2CC2(F)F)CCO1 ZINC001594954621 954977650 /nfs/dbraw/zinc/97/76/50/954977650.db2.gz OBKWGINLYWJAAG-HTQZYQBOSA-N -1 0 319.268 -0.613 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1)C(=O)[O-] ZINC001589481455 954979042 /nfs/dbraw/zinc/97/90/42/954979042.db2.gz ATNOKJJKJWHNKE-ZUZCIYMTSA-N -1 0 312.366 -0.023 20 0 DBADRM COC(=O)C1(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001593813936 954979173 /nfs/dbraw/zinc/97/91/73/954979173.db2.gz NBNHMVQQISXWJE-VIFPVBQESA-N -1 0 312.322 -0.621 20 0 DBADRM COC(=O)C1(CNC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC001593814386 954985196 /nfs/dbraw/zinc/98/51/96/954985196.db2.gz SUWRSMGXRZGPMJ-UHFFFAOYSA-N -1 0 321.289 -0.212 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001594957730 954994643 /nfs/dbraw/zinc/99/46/43/954994643.db2.gz YWIHTHYXOGIZRR-ONGXEEELSA-N -1 0 310.310 -0.760 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001594957924 954995420 /nfs/dbraw/zinc/99/54/20/954995420.db2.gz VIRNGQVQAXRMTF-CHWFTXMASA-N -1 0 317.363 -0.346 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCc2cccnc21 ZINC001594959720 955000931 /nfs/dbraw/zinc/00/09/31/955000931.db2.gz CUCPISVTRWQHOD-WDEREUQCSA-N -1 0 324.358 -0.178 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCc1ccncc1 ZINC001594959755 955002230 /nfs/dbraw/zinc/00/22/30/955002230.db2.gz DPIXTQPLTMVBSB-LLVKDONJSA-N -1 0 312.347 -0.276 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnn2ccccc12 ZINC001594963167 955028047 /nfs/dbraw/zinc/02/80/47/955028047.db2.gz YBMNZTVCSZAMKA-NSHDSACASA-N -1 0 323.330 -0.342 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1nc(C(F)F)no1 ZINC001594964424 955037071 /nfs/dbraw/zinc/03/70/71/955037071.db2.gz FCLMTJQYAJMTDF-RXMQYKEDSA-N -1 0 311.266 -0.309 20 0 DBADRM CC[C@@H](CCO)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589515283 955066041 /nfs/dbraw/zinc/06/60/41/955066041.db2.gz WNHMBMRLJAAGMP-WDEREUQCSA-N -1 0 300.355 -0.166 20 0 DBADRM CC[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)C(=O)[O-] ZINC001589517309 955070909 /nfs/dbraw/zinc/07/09/09/955070909.db2.gz IWDVJWTUKZMHFX-UWVGGRQHSA-N -1 0 315.370 -0.380 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCSC[C@H]1CCO)C(=O)[O-] ZINC001589518017 955077205 /nfs/dbraw/zinc/07/72/05/955077205.db2.gz JKAZVEYNQNSIHV-NXEZZACHSA-N -1 0 318.395 -0.460 20 0 DBADRM CC[C@H](CNC(=O)C(=O)NCCN1CCOC[C@@H]1C)C(=O)[O-] ZINC001589518931 955083056 /nfs/dbraw/zinc/08/30/56/955083056.db2.gz OTBWIDZDOFPJFQ-WDEREUQCSA-N -1 0 315.370 -0.950 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1C[C@@H](O)CC(F)(F)C1)C(=O)[O-] ZINC001589519213 955085121 /nfs/dbraw/zinc/08/51/21/955085121.db2.gz PYJASSZDVNPLSX-YUMQZZPRSA-N -1 0 308.281 -0.558 20 0 DBADRM COC(=O)C1CC2(C1)CN(Cc1cnn(C)n1)C[C@H]2C(=O)[O-] ZINC001593825275 955100190 /nfs/dbraw/zinc/10/01/90/955100190.db2.gz GWSBSRJNSCGGJA-ZQDGQSPWSA-N -1 0 308.338 -0.099 20 0 DBADRM COC(=O)C1CC2(C1)CN(Cn1ncn(C)c1=O)C[C@@H]2C(=O)[O-] ZINC001593826054 955104988 /nfs/dbraw/zinc/10/49/88/955104988.db2.gz OITUAZUFLPTOCP-OPASDULOSA-N -1 0 324.337 -0.875 20 0 DBADRM CC[C@H](CNC(=O)N1CCO[C@@H](CS(C)(=O)=O)C1)C(=O)[O-] ZINC001589528349 955137022 /nfs/dbraw/zinc/13/70/22/955137022.db2.gz IPIZXDXHTJSUHR-NXEZZACHSA-N -1 0 322.383 -0.448 20 0 DBADRM CC[C@H](CNC(=O)N1CCS(=O)(=O)C[C@@H]1CCO)C(=O)[O-] ZINC001589528827 955140725 /nfs/dbraw/zinc/14/07/25/955140725.db2.gz OGLAACINTNZQSX-ZJUUUORDSA-N -1 0 322.383 -0.712 20 0 DBADRM CC[C@@H](CNC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)C(=O)[O-] ZINC001589529305 955143246 /nfs/dbraw/zinc/14/32/46/955143246.db2.gz UKQHUQNLQNXGTD-ZJUUUORDSA-N -1 0 321.399 -0.228 20 0 DBADRM CC[C@H](CNC(=O)N1CCN(CCOC)C(=O)C1)C(=O)[O-] ZINC001589529279 955143460 /nfs/dbraw/zinc/14/34/60/955143460.db2.gz SXHAQJBFNJYTQO-SNVBAGLBSA-N -1 0 301.343 -0.403 20 0 DBADRM COC(=O)[C@@H]1CCCCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001593830092 955143842 /nfs/dbraw/zinc/14/38/42/955143842.db2.gz WXVLBRDIXYUNJX-JTQLQIEISA-N -1 0 310.310 -0.080 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)CCNC(=O)c2ccco2)CC1 ZINC000386673166 972072732 /nfs/dbraw/zinc/07/27/32/972072732.db2.gz OJQXQWCEXZTIPZ-UHFFFAOYSA-N -1 0 310.306 -0.162 20 0 DBADRM CC[C@H](CNC(=O)NCC1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001589534809 955152665 /nfs/dbraw/zinc/15/26/65/955152665.db2.gz JHXIWLLEZRZLNO-SECBINFHSA-N -1 0 307.372 -0.712 20 0 DBADRM CC[C@@H](CNC(=O)NCC1(O)CCS(=O)(=O)CC1)C(=O)[O-] ZINC001589535062 955154756 /nfs/dbraw/zinc/15/47/56/955154756.db2.gz MNGOJLQVTSLUCI-VIFPVBQESA-N -1 0 322.383 -0.664 20 0 DBADRM COC(=O)C[C@]1(NC(=O)c2cc(C(=O)[O-])nn2C)CCOC1 ZINC001593832693 955167074 /nfs/dbraw/zinc/16/70/74/955167074.db2.gz GILUXYOMESVJAP-CYBMUJFWSA-N -1 0 311.294 -0.430 20 0 DBADRM COC(=O)CCCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593834028 955173459 /nfs/dbraw/zinc/17/34/59/955173459.db2.gz DSLNMFHIKKADBH-VIFPVBQESA-N -1 0 300.311 -0.621 20 0 DBADRM CC[C@H](CNC(=O)NCCS(=O)(=O)NC1CC1)C(=O)[O-] ZINC001589538236 955178469 /nfs/dbraw/zinc/17/84/69/955178469.db2.gz PWOVYEDWBXBNNK-MRVPVSSYSA-N -1 0 307.372 -0.522 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C[C@@H]1OC ZINC000386739872 972076697 /nfs/dbraw/zinc/07/66/97/972076697.db2.gz XGOBXMHTGGBHMT-AOOOYVTPSA-N -1 0 316.335 -0.186 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC001589000517 955319501 /nfs/dbraw/zinc/31/95/01/955319501.db2.gz ZXXLIBPGEYNUKB-ONGXEEELSA-N -1 0 313.354 -0.071 20 0 DBADRM COC(=O)CC1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001593836889 955320603 /nfs/dbraw/zinc/32/06/03/955320603.db2.gz LNABNCIDPVVMFO-UHFFFAOYSA-N -1 0 307.368 -0.239 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)COc1cc(C)on1 ZINC001593838912 955332814 /nfs/dbraw/zinc/33/28/14/955332814.db2.gz GSCYKYQKICHRJX-UHFFFAOYSA-N -1 0 300.267 -0.162 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)Cn1ccc(C)cc1=O ZINC001593839037 955336088 /nfs/dbraw/zinc/33/60/88/955336088.db2.gz HUSCMVWNOXLUCX-UHFFFAOYSA-N -1 0 310.306 -0.367 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001593839746 955348564 /nfs/dbraw/zinc/34/85/64/955348564.db2.gz UKMINITXKWJQCY-SECBINFHSA-N -1 0 321.351 -0.713 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001593839747 955348747 /nfs/dbraw/zinc/34/87/47/955348747.db2.gz UKMINITXKWJQCY-VIFPVBQESA-N -1 0 321.351 -0.713 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)/C=C\c1ccc(C(N)=O)o1 ZINC001593839800 955348910 /nfs/dbraw/zinc/34/89/10/955348910.db2.gz WTWIEEONKRELKF-HYXAFXHYSA-N -1 0 324.289 -0.132 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1cn(C)c(C)cc1=O ZINC001593840222 955355406 /nfs/dbraw/zinc/35/54/06/955355406.db2.gz RLXIUYPHUZRKMN-UHFFFAOYSA-N -1 0 310.306 -0.216 20 0 DBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001594506082 955356170 /nfs/dbraw/zinc/35/61/70/955356170.db2.gz KBKBOLMOBBEOBB-LBPRGKRZSA-N -1 0 317.319 -0.035 20 0 DBADRM CN(C(=O)NCCCCC(=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000386897877 972089110 /nfs/dbraw/zinc/08/91/10/972089110.db2.gz FUEPODKXNVOMOC-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)Cc1cc(C)on1 ZINC001593841702 955371196 /nfs/dbraw/zinc/37/11/96/955371196.db2.gz IWGRGCJZCKSERM-UHFFFAOYSA-N -1 0 320.323 -0.237 20 0 DBADRM COC(=O)CCN(CC(OC)OC)C(=O)[C@@H](OC)C(=O)[O-] ZINC001593843402 955386448 /nfs/dbraw/zinc/38/64/48/955386448.db2.gz YLYYUHYBLVWEDM-SNVBAGLBSA-N -1 0 307.299 -0.903 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@](C)(OC)C(=O)[O-])[C@@H](C)C1 ZINC001593844459 955396346 /nfs/dbraw/zinc/39/63/46/955396346.db2.gz KEWQZOIHQFAESB-HZMBPMFUSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@@H]1CCCCN(C)C1=O)C(=O)[O-] ZINC001593845151 955404895 /nfs/dbraw/zinc/40/48/95/955404895.db2.gz FHENDMDGWXUVHS-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC(C(=O)[O-])C3)cnc21 ZINC001594515082 955410997 /nfs/dbraw/zinc/41/09/97/955410997.db2.gz DZGKHQHZURATQV-UHFFFAOYSA-N -1 0 304.262 -0.809 20 0 DBADRM Cn1c(-c2c[nH]cn2)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001594515587 955412852 /nfs/dbraw/zinc/41/28/52/955412852.db2.gz LAMUVQFFPKUWRL-AMIZOPFISA-N -1 0 304.310 -0.257 20 0 DBADRM Cn1c2ncn(CCSCCC(=O)[O-])c2c(=O)n(C)c1=O ZINC001594517397 955422594 /nfs/dbraw/zinc/42/25/94/955422594.db2.gz UZHZLCBLJGAJJS-UHFFFAOYSA-N -1 0 312.351 -0.358 20 0 DBADRM Cn1c(=O)ccn(Cc2nc(C3(C(=O)[O-])CCC3)no2)c1=O ZINC001594517460 955423543 /nfs/dbraw/zinc/42/35/43/955423543.db2.gz YHYMVSQAKDFLBN-UHFFFAOYSA-N -1 0 306.278 -0.515 20 0 DBADRM C[C@H](CCNC(=O)c1cccn(CC(=O)[O-])c1=O)[S@](C)=O ZINC001589015384 955433688 /nfs/dbraw/zinc/43/36/88/955433688.db2.gz NSZZLNJALLAPNF-BTKVJGODSA-N -1 0 314.363 -0.180 20 0 DBADRM Cn1c(CC(=O)NC[C@](C)(O)C(=O)[O-])nnc1-c1ccccc1 ZINC001594518386 955440912 /nfs/dbraw/zinc/44/09/12/955440912.db2.gz XMDXSAFMIHIRIF-HNNXBMFYSA-N -1 0 318.333 -0.024 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC001589019184 955448269 /nfs/dbraw/zinc/44/82/69/955448269.db2.gz ATWFVYPIRVEAPE-SNVBAGLBSA-N -1 0 314.338 -0.469 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NCC[C@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC001589019514 955452106 /nfs/dbraw/zinc/45/21/06/955452106.db2.gz GHMQYCJEDAVWQI-UWVGGRQHSA-N -1 0 313.354 -0.850 20 0 DBADRM COC(=O)CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(C)C ZINC001593850645 955452234 /nfs/dbraw/zinc/45/22/34/955452234.db2.gz MZLDZSVGJFSSKH-SNVBAGLBSA-N -1 0 314.338 -0.280 20 0 DBADRM O=C([O-])c1ccc([N+](=O)[O-])c(N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)n1 ZINC000387020084 972097550 /nfs/dbraw/zinc/09/75/50/972097550.db2.gz RUPABXBMKDAHRX-OLQVQODUSA-N -1 0 306.234 -0.603 20 0 DBADRM C[C@@H](CN(C)C(=O)CCn1cnc2c1ncnc2N)C(=O)[O-] ZINC001589019554 955453530 /nfs/dbraw/zinc/45/35/30/955453530.db2.gz KTCWUQTYKDEOCY-QMMMGPOBSA-N -1 0 306.326 -0.022 20 0 DBADRM COC(=O)CN([C@@H]1CCN(CC(=O)[O-])C1=O)C1CCOCC1 ZINC001593850671 955454261 /nfs/dbraw/zinc/45/42/61/955454261.db2.gz OTWAEAJKKXYFEN-LLVKDONJSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CC[C@H](n2cccn2)C1)C(=O)[O-] ZINC001589019659 955455289 /nfs/dbraw/zinc/45/52/89/955455289.db2.gz HECLDJDYYIETEL-QWRGUYRKSA-N -1 0 308.338 -0.164 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001593851124 955459478 /nfs/dbraw/zinc/45/94/78/955459478.db2.gz AWSHNWLYJYHTQK-UHFFFAOYSA-N -1 0 323.305 -0.276 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[C@H]1O)C(=O)[O-] ZINC001589019965 955461908 /nfs/dbraw/zinc/46/19/08/955461908.db2.gz MBZBSYDLUXZGOO-OUAUKWLOSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NC[C@H]1COC(C)(C)O1)C(=O)[O-] ZINC001589020310 955464151 /nfs/dbraw/zinc/46/41/51/955464151.db2.gz RKHOOPIFVOVYDK-IUCAKERBSA-N -1 0 302.327 -0.567 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1)C(=O)[O-] ZINC001589020330 955464834 /nfs/dbraw/zinc/46/48/34/955464834.db2.gz RQMVMCOHMCHHSH-UWVGGRQHSA-N -1 0 313.354 -0.721 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@@H](OCCO)C1)C(=O)[O-] ZINC001589020799 955468507 /nfs/dbraw/zinc/46/85/07/955468507.db2.gz WTQSWMSKQSSAHW-WDEREUQCSA-N -1 0 316.354 -0.835 20 0 DBADRM COC(=O)C[C@H](C)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593854991 955489568 /nfs/dbraw/zinc/48/95/68/955489568.db2.gz PVJQTVJUIOMUAS-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM Cn1c2ccncc2n(CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1=O ZINC001594524397 955494406 /nfs/dbraw/zinc/49/44/06/955494406.db2.gz OZLJEXHWDZCGJI-MEBBXXQBSA-N -1 0 318.333 -0.275 20 0 DBADRM Cn1cc(C(=O)C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cn1 ZINC001594525544 955498452 /nfs/dbraw/zinc/49/84/52/955498452.db2.gz HUUYKOREVNBVCQ-JTQLQIEISA-N -1 0 322.321 -0.815 20 0 DBADRM COC(=O)NCC(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC001593858122 955519329 /nfs/dbraw/zinc/51/93/29/955519329.db2.gz GJQJTNKOBIFKPW-UWVGGRQHSA-N -1 0 324.337 -0.207 20 0 DBADRM COC(=O)NCCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593858800 955525975 /nfs/dbraw/zinc/52/59/75/955525975.db2.gz ZZYULOUJHXEXEQ-VIFPVBQESA-N -1 0 315.326 -0.686 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cn1 ZINC001594531042 955532826 /nfs/dbraw/zinc/53/28/26/955532826.db2.gz FQAJLPYGGHYWSS-VXGBXAGGSA-N -1 0 304.306 -0.339 20 0 DBADRM C[C@@H](CN(C)S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)[O-] ZINC001589033305 955535132 /nfs/dbraw/zinc/53/51/32/955535132.db2.gz BCLUUEJFDBRJPL-BWKAKNAASA-N -1 0 301.390 -0.542 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)[C@@H]3CCNC3=O)C2)cn1 ZINC001594531674 955539210 /nfs/dbraw/zinc/53/92/10/955539210.db2.gz LWHJNZFDCQKPGC-JFGNBEQYSA-N -1 0 320.349 -0.427 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cn1 ZINC001594532065 955542232 /nfs/dbraw/zinc/54/22/32/955542232.db2.gz OZAIWNNCAIYBRR-QWHCGFSZSA-N -1 0 319.317 -0.029 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC001593861234 955546326 /nfs/dbraw/zinc/54/63/26/955546326.db2.gz PYDJGDVDCJHWOX-UTLUCORTSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)O1 ZINC001593861563 955553260 /nfs/dbraw/zinc/55/32/60/955553260.db2.gz ZDOBZNZCGMKNHS-KXUCPTDWSA-N -1 0 311.294 -0.617 20 0 DBADRM C[C@H](CNC(=O)C(=O)NC[C@]12C[C@H]1COC21CCC1)C(=O)[O-] ZINC001589036624 955553255 /nfs/dbraw/zinc/55/32/55/955553255.db2.gz DLPQZEKFAHNZHD-ISTVAULSSA-N -1 0 310.350 -0.101 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNC(=O)c2cc(C(=O)[O-])nn2C)C1(F)F ZINC001593862609 955558425 /nfs/dbraw/zinc/55/84/25/955558425.db2.gz OFPBLJRSIWBMQZ-XNCJUZBTSA-N -1 0 317.248 -0.098 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(Cc3nnn(C)n3)C2)cn1 ZINC001594534434 955558769 /nfs/dbraw/zinc/55/87/69/955558769.db2.gz GDSFZRSMOWOIIQ-ZJUUUORDSA-N -1 0 305.342 -0.366 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593862769 955558904 /nfs/dbraw/zinc/55/89/04/955558904.db2.gz SAXUPDSXKCEGSO-OIBJUYFYSA-N -1 0 312.282 -0.580 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593862830 955560072 /nfs/dbraw/zinc/56/00/72/955560072.db2.gz VCCQJWWCUYQZPV-QFOLPQNPSA-N -1 0 315.322 -0.297 20 0 DBADRM COC(=O)[C@]12CN(C(=O)c3cc(C(=O)[O-])n[nH]3)C[C@H]1COCC2 ZINC001593863666 955565017 /nfs/dbraw/zinc/56/50/17/955565017.db2.gz NUZDSOGGGOLIDF-RMLUDKJBSA-N -1 0 323.305 -0.240 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001593864926 955569715 /nfs/dbraw/zinc/56/97/15/955569715.db2.gz AKGRHTVDPPXWFH-RZGXBDKHSA-N -1 0 312.322 -0.319 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001593865005 955570916 /nfs/dbraw/zinc/57/09/16/955570916.db2.gz FZXOGCWTHUSOCZ-GWOFURMSSA-N -1 0 315.322 -0.609 20 0 DBADRM COC(=O)[C@H]1C[C@@H](N(C)S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001593865220 955571184 /nfs/dbraw/zinc/57/11/84/955571184.db2.gz HVXHPFWNVMEHKH-AEJSXWLSSA-N -1 0 320.367 -0.336 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](NC(=O)[C@@H]3CC(C(=O)[O-])=NO3)CCO2)cn1 ZINC001594536938 955584375 /nfs/dbraw/zinc/58/43/75/955584375.db2.gz HDFVSWJWAVKVKI-DLOVCJGASA-N -1 0 322.321 -0.014 20 0 DBADRM C[C@@H](CN1CCOCC1)N(C)C(=O)NCCOCC(=O)[O-] ZINC001589039866 955585941 /nfs/dbraw/zinc/58/59/41/955585941.db2.gz SNSXCXIUZRJQRE-NSHDSACASA-N -1 0 303.359 -0.550 20 0 DBADRM C[C@H](CN1CCOCC1)C(=O)NC1(C(=O)[O-])CCOCC1 ZINC001589039960 955587443 /nfs/dbraw/zinc/58/74/43/955587443.db2.gz WCWUPXPSHOAIAX-LLVKDONJSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)CN2C(=O)CNC2=O)c1 ZINC000387189469 972110231 /nfs/dbraw/zinc/11/02/31/972110231.db2.gz YISPFPORNBNRRU-UHFFFAOYSA-N -1 0 307.262 -0.360 20 0 DBADRM COC(=O)c1c(OCCO)n[nH]c1NC(=O)CCCC(=O)[O-] ZINC001593868265 955605555 /nfs/dbraw/zinc/60/55/55/955605555.db2.gz VZMCHVDEDLUXSW-UHFFFAOYSA-N -1 0 315.282 -0.239 20 0 DBADRM C[C@@H](CNC(=O)C1(CC(=O)[O-])CCOCC1)S(C)(=O)=O ZINC001589044837 955618478 /nfs/dbraw/zinc/61/84/78/955618478.db2.gz YZMXQDABVXTJHP-VIFPVBQESA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)S(C)(=O)=O ZINC001589044967 955619797 /nfs/dbraw/zinc/61/97/97/955619797.db2.gz PRICJOOQTVYGMD-UTLUCORTSA-N -1 0 307.368 -0.194 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CCn1ccccc1=O ZINC000387242191 972112703 /nfs/dbraw/zinc/11/27/03/972112703.db2.gz KUGYSIUGFMRADL-JTQLQIEISA-N -1 0 307.306 -0.960 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3ncnn3C)C2)cn1 ZINC001594540825 955642213 /nfs/dbraw/zinc/64/22/13/955642213.db2.gz UTMWKWCHSXQWEN-NXEZZACHSA-N -1 0 318.337 -0.121 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)c3ncnn3C)C2)cn1 ZINC001594540829 955643045 /nfs/dbraw/zinc/64/30/45/955643045.db2.gz UTMWKWCHSXQWEN-ZJUUUORDSA-N -1 0 318.337 -0.121 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])c(C)o1 ZINC001593874758 955653551 /nfs/dbraw/zinc/65/35/51/955653551.db2.gz JJGMGDGSLAHDBY-LLVKDONJSA-N -1 0 321.307 -0.511 20 0 DBADRM C[C@H](CNC(=O)NCC1(OCCO)CCOCC1)C(=O)[O-] ZINC001589053589 955679414 /nfs/dbraw/zinc/67/94/14/955679414.db2.gz GYFMODGXQLCFEW-SNVBAGLBSA-N -1 0 304.343 -0.436 20 0 DBADRM C[C@@H](CNC(=O)NCC1(C(=O)[O-])CCOCC1)S(C)(=O)=O ZINC001589053972 955680576 /nfs/dbraw/zinc/68/05/76/955680576.db2.gz NIESTLSUBXXLQS-VIFPVBQESA-N -1 0 322.383 -0.400 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)c3cc(C(=O)[O-])nn3C)C2)cn1 ZINC001594545342 955681480 /nfs/dbraw/zinc/68/14/80/955681480.db2.gz CNRVHZSQRPWNST-SECBINFHSA-N -1 0 318.337 -0.140 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)c3cnc(C(=O)[O-])cn3)C2)cn1 ZINC001594545826 955684076 /nfs/dbraw/zinc/68/40/76/955684076.db2.gz IVXPGNCALZLGHB-VIFPVBQESA-N -1 0 316.321 -0.083 20 0 DBADRM C[C@H](CNC(=O)NCCOCC(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC001589055174 955690783 /nfs/dbraw/zinc/69/07/83/955690783.db2.gz WMYKVQJTZGXYHU-UTUOFQBUSA-N -1 0 317.386 -0.116 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1=O ZINC001594548247 955696055 /nfs/dbraw/zinc/69/60/55/955696055.db2.gz KMZHELAZODLLGY-CQSZACIVSA-N -1 0 307.306 -0.353 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)nn1 ZINC001594548912 955703479 /nfs/dbraw/zinc/70/34/79/955703479.db2.gz VCZMXBHEJGPHCT-VIFPVBQESA-N -1 0 309.326 -0.143 20 0 DBADRM Cn1cc(N2CCN([C@H]3CCN(CC(=O)[O-])C3=O)CC2)cn1 ZINC001594549012 955704864 /nfs/dbraw/zinc/70/48/64/955704864.db2.gz YRJBBVIXHHZUBZ-LBPRGKRZSA-N -1 0 307.354 -0.772 20 0 DBADRM COC(=O)c1ccc(N2CCN(C(=O)CCC(=O)[O-])CC2)nn1 ZINC001593880719 955704987 /nfs/dbraw/zinc/70/49/87/955704987.db2.gz PXIVIPLHUVSHMA-UHFFFAOYSA-N -1 0 322.321 -0.223 20 0 DBADRM Cn1cc(NC(=O)c2cn(CC(=O)[O-])nn2)cc(Cl)c1=O ZINC001594549512 955711953 /nfs/dbraw/zinc/71/19/53/955711953.db2.gz NCXVFRXSCSKLTI-UHFFFAOYSA-N -1 0 311.685 -0.033 20 0 DBADRM Cn1cccc1[C@H]1COCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001594551411 955728227 /nfs/dbraw/zinc/72/82/27/955728227.db2.gz CXTIIDDDSCLQKD-GFCCVEGCSA-N -1 0 316.379 -0.102 20 0 DBADRM Cn1ccnc(NC(=O)NCC2(C(=O)[O-])CCOCC2)c1=O ZINC001594551539 955730397 /nfs/dbraw/zinc/73/03/97/955730397.db2.gz JKTRXPUNZORSOV-UHFFFAOYSA-N -1 0 310.310 -0.217 20 0 DBADRM Cn1ccc(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001594552578 955736439 /nfs/dbraw/zinc/73/64/39/955736439.db2.gz FSIXPCXZCSWAFE-KWQFWETISA-N -1 0 301.324 -0.858 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])s1 ZINC001593885066 955739295 /nfs/dbraw/zinc/73/92/95/955739295.db2.gz FBIWUBFBWHJYBQ-JTQLQIEISA-N -1 0 323.348 -0.351 20 0 DBADRM Cn1ccnc1COCC(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001594555830 955759959 /nfs/dbraw/zinc/75/99/59/955759959.db2.gz MTMCHQJQIBEVTC-LBPRGKRZSA-N -1 0 307.310 -0.388 20 0 DBADRM COC(=O)c1cccn(CC(=O)N[C@H](C(=O)[O-])C(C)C)c1=O ZINC001593888550 955765688 /nfs/dbraw/zinc/76/56/88/955765688.db2.gz DZEXAMSKNSOJAV-NSHDSACASA-N -1 0 310.306 -0.140 20 0 DBADRM COC(=O)c1cccn(CC(=O)N(C)C[C@@H](C)C(=O)[O-])c1=O ZINC001593888547 955765722 /nfs/dbraw/zinc/76/57/22/955765722.db2.gz DWKFICDTVIFDQZ-SECBINFHSA-N -1 0 310.306 -0.186 20 0 DBADRM Cn1cnc(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)n1 ZINC001594556439 955765991 /nfs/dbraw/zinc/76/59/91/955765991.db2.gz GAFMHQOGAVMJGT-VIFPVBQESA-N -1 0 321.337 -0.647 20 0 DBADRM Cn1cnc(CCNC(=O)C(=O)Nc2cccnc2C(=O)[O-])c1 ZINC001594558119 955785076 /nfs/dbraw/zinc/78/50/76/955785076.db2.gz YEPBGGANFHWQJK-UHFFFAOYSA-N -1 0 317.305 -0.189 20 0 DBADRM COC(=O)c1cn([C@@H]2CCN(C(=O)[C@H](C(=O)[O-])C3CC3)C2)nn1 ZINC001593891613 955788886 /nfs/dbraw/zinc/78/88/86/955788886.db2.gz LBJYIEJBIPEDRN-MWLCHTKSSA-N -1 0 322.321 -0.051 20 0 DBADRM C[C@H](CO)CCCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001589073418 955793143 /nfs/dbraw/zinc/79/31/43/955793143.db2.gz NDUBUPUDEFYZKD-JTQLQIEISA-N -1 0 300.355 -0.166 20 0 DBADRM C[C@H](CO)CCCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001589073610 955794841 /nfs/dbraw/zinc/79/48/41/955794841.db2.gz QZIKPPOGHHATFM-HZMBPMFUSA-N -1 0 300.355 -0.166 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594560126 955799151 /nfs/dbraw/zinc/79/91/51/955799151.db2.gz YVVMLZAXZSWBKB-SCZZXKLOSA-N -1 0 307.310 -0.249 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)c2cc(C(=O)[O-])nn2C)CC1 ZINC001594560077 955799219 /nfs/dbraw/zinc/79/92/19/955799219.db2.gz XAQJSEUEUXQCTC-UHFFFAOYSA-N -1 0 319.325 -0.791 20 0 DBADRM COC(=O)c1cnn(CC(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c1 ZINC001593894174 955813700 /nfs/dbraw/zinc/81/37/00/955813700.db2.gz WJAPHZYNZXIRSU-LLVKDONJSA-N -1 0 321.293 -0.655 20 0 DBADRM COC(=O)c1cncc(S(=O)(=O)N(C)CCC(=O)[O-])c1 ZINC001593894241 955814015 /nfs/dbraw/zinc/81/40/15/955814015.db2.gz ZGLANHSKUCMMMQ-UHFFFAOYSA-N -1 0 302.308 -0.037 20 0 DBADRM Cn1nc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cc1C=O ZINC001594563507 955815417 /nfs/dbraw/zinc/81/54/17/955815417.db2.gz STPUPHJVVBUMGE-SNVBAGLBSA-N -1 0 322.321 -0.572 20 0 DBADRM COC(=O)c1n[nH]c2c1CN(C(=O)[C@](C)(OC)C(=O)[O-])CC2 ZINC001593894515 955816313 /nfs/dbraw/zinc/81/63/13/955816313.db2.gz CUBCKAFGBGNJOF-ZDUSSCGKSA-N -1 0 311.294 -0.429 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC001594563666 955816919 /nfs/dbraw/zinc/81/69/19/955816919.db2.gz GSOWJGGVCCFGJK-SSDOTTSWSA-N -1 0 316.339 -0.989 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC(CN2CCOCC2)C1 ZINC001594563971 955819215 /nfs/dbraw/zinc/81/92/15/955819215.db2.gz KAURINAMICMSNM-UHFFFAOYSA-N -1 0 308.338 -0.478 20 0 DBADRM COC(=O)c1nccc(N[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001593897374 955833474 /nfs/dbraw/zinc/83/34/74/955833474.db2.gz GGSZFCZRKVOZDX-SECBINFHSA-N -1 0 322.321 -0.437 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001594565702 955843677 /nfs/dbraw/zinc/84/36/77/955843677.db2.gz NUGXKTANMCKOQD-JTQLQIEISA-N -1 0 310.354 -0.305 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589081305 955854959 /nfs/dbraw/zinc/85/49/59/955854959.db2.gz AIHJDVIFYWCEKK-VIFPVBQESA-N -1 0 305.294 -0.657 20 0 DBADRM C[C@@H](Cc1ccncc1)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001589082736 955873035 /nfs/dbraw/zinc/87/30/35/955873035.db2.gz WESGVZNTTBODNW-JQWIXIFHSA-N -1 0 321.333 -0.559 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CC2(CCOCC2)CC[C@H]1CO ZINC001593901976 955879761 /nfs/dbraw/zinc/87/97/61/955879761.db2.gz JUMQIPXIELXVGY-QWRGUYRKSA-N -1 0 301.339 -0.134 20 0 DBADRM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001589083535 955881217 /nfs/dbraw/zinc/88/12/17/955881217.db2.gz NJQQYNOXXUWFSP-WPRPVWTQSA-N -1 0 315.351 -0.702 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC([C@]2(C)COC(=O)N2)CC1 ZINC001593902562 955887702 /nfs/dbraw/zinc/88/77/02/955887702.db2.gz TYOLYAFEWSSEDY-RNCFNFMXSA-N -1 0 300.311 -0.177 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)[C@H]1CCCOC1 ZINC001589086193 955901196 /nfs/dbraw/zinc/90/11/96/955901196.db2.gz HLTXUVGJHDSAJF-ZJUUUORDSA-N -1 0 324.337 -0.163 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C(F)(F)F ZINC001589086484 955905855 /nfs/dbraw/zinc/90/58/55/955905855.db2.gz NMTRUFZGVHEIIM-RXMQYKEDSA-N -1 0 308.216 -0.027 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1nnnn1C1CC1 ZINC001589086671 955907390 /nfs/dbraw/zinc/90/73/90/955907390.db2.gz ROJBJHSINJKJJA-JGVFFNPUSA-N -1 0 322.325 -0.882 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1nnnn1C1CC1 ZINC001589086673 955907427 /nfs/dbraw/zinc/90/74/27/955907427.db2.gz ROJBJHSINJKJJA-YUMQZZPRSA-N -1 0 322.325 -0.882 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC001593906124 955915689 /nfs/dbraw/zinc/91/56/89/955915689.db2.gz PZSJVQVHYGCLKO-LPEHRKFASA-N -1 0 303.311 -0.535 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)OCc1cn(CC(=O)[O-])nn1 ZINC001594576297 955921517 /nfs/dbraw/zinc/92/15/17/955921517.db2.gz ZZBDOUIGOUJGFN-UHFFFAOYSA-N -1 0 320.309 -0.346 20 0 DBADRM C[C@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C1(CO)CC1 ZINC001589090250 955928503 /nfs/dbraw/zinc/92/85/03/955928503.db2.gz BGGDCJNCAADRGP-VIFPVBQESA-N -1 0 319.379 -0.457 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCCS(=O)(=O)c1ccccc1 ZINC001593907431 955939999 /nfs/dbraw/zinc/93/99/99/955939999.db2.gz DUAFUQADYCVPCZ-JTQLQIEISA-N -1 0 301.320 -0.324 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1ccnn1C ZINC001589091798 955949439 /nfs/dbraw/zinc/94/94/39/955949439.db2.gz HRUQSZVISDREMZ-ZJUUUORDSA-N -1 0 308.338 -0.080 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1cccc(S(C)(=O)=O)c1 ZINC001593908687 955953511 /nfs/dbraw/zinc/95/35/11/955953511.db2.gz KRGHCWMCGKICGV-JTQLQIEISA-N -1 0 301.320 -0.194 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1ncnn1C ZINC001589092226 955954573 /nfs/dbraw/zinc/95/45/73/955954573.db2.gz LGPQYXJFJMKIPZ-BDAKNGLRSA-N -1 0 309.326 -0.685 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1cnn(C)c1 ZINC001589092402 955955802 /nfs/dbraw/zinc/95/58/02/955955802.db2.gz OMFACLRFNRUMLA-GXSJLCMTSA-N -1 0 308.338 -0.080 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC001593909301 955959915 /nfs/dbraw/zinc/95/99/15/955959915.db2.gz VUDWXOSTYDXGNO-LLVKDONJSA-N -1 0 315.347 -0.053 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(CS(N)(=O)=O)cc1 ZINC001593912711 955983292 /nfs/dbraw/zinc/98/32/92/955983292.db2.gz MHFXDOASYIYFGA-SECBINFHSA-N -1 0 302.308 -0.487 20 0 DBADRM C[C@@H](NC(=O)COC(=O)[C@H](C)C(=O)[O-])C(=O)N1CCCCC1 ZINC001589095422 955983504 /nfs/dbraw/zinc/98/35/04/955983504.db2.gz DVTGNQXFFYKEDP-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC001593912738 955984331 /nfs/dbraw/zinc/98/43/31/955984331.db2.gz CPQPXDKJCUQWGI-ZDUSSCGKSA-N -1 0 321.333 -0.344 20 0 DBADRM Cn1ncc(CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])n1 ZINC001594582523 955984458 /nfs/dbraw/zinc/98/44/58/955984458.db2.gz SGDCSUNQOBSUJL-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM Cn1ncc(NC(=O)C(=O)NCCC(=O)[O-])c1C(F)(F)F ZINC001594587082 956009162 /nfs/dbraw/zinc/00/91/62/956009162.db2.gz RMUYEIGKVDPATI-UHFFFAOYSA-N -1 0 308.216 -0.032 20 0 DBADRM Cn1nccc1[C@H](NC(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001594587747 956014583 /nfs/dbraw/zinc/01/45/83/956014583.db2.gz LTLYQUNXPGFKAC-JTQLQIEISA-N -1 0 315.351 -0.513 20 0 DBADRM Cn1nccc1[C@H](NC(=O)Cc1nc(C2CC2)nn1C)C(=O)[O-] ZINC001594588178 956018072 /nfs/dbraw/zinc/01/80/72/956018072.db2.gz COIGQJLQKQYKBZ-LBPRGKRZSA-N -1 0 318.337 -0.089 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CN1CCCCC(=O)C1=O)C(=O)[O-] ZINC001594588874 956028258 /nfs/dbraw/zinc/02/82/58/956028258.db2.gz LIYRPCBIUGVEGR-LBPRGKRZSA-N -1 0 322.321 -0.756 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2 ZINC001593917224 956034608 /nfs/dbraw/zinc/03/46/08/956034608.db2.gz JRDACAJQELPFPW-HMDURAKOSA-N -1 0 323.349 -0.139 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)c1ccc(C(N)=O)cn1)C(=O)[O-] ZINC001594590645 956056754 /nfs/dbraw/zinc/05/67/54/956056754.db2.gz VFBKVSSSGIVEEM-SNVBAGLBSA-N -1 0 303.278 -0.530 20 0 DBADRM CO[C@H](C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O)[C@@H]1CCOC1 ZINC001593920350 956070501 /nfs/dbraw/zinc/07/05/01/956070501.db2.gz PRXZDHRCLQRAFS-YWVKMMECSA-N -1 0 301.295 -0.733 20 0 DBADRM CO[C@@H](C(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001593920820 956075322 /nfs/dbraw/zinc/07/53/22/956075322.db2.gz RPCKJHJWDCTLJB-RKDXNWHRSA-N -1 0 303.311 -0.345 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC[C@@H](N2CCOCC2)C1 ZINC001593922221 956092122 /nfs/dbraw/zinc/09/21/22/956092122.db2.gz HKNUXTNBNVKMFP-RISCZKNCSA-N -1 0 300.355 -0.201 20 0 DBADRM Cn1nccc1[C@@H]1CN(CN2C[C@H](C(=O)[O-])CC2=O)CCO1 ZINC001594596301 956092979 /nfs/dbraw/zinc/09/29/79/956092979.db2.gz CUKZYJKTLMUDSG-PWSUYJOCSA-N -1 0 308.338 -0.316 20 0 DBADRM Cn1nccc1[C@H]1COCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001594596629 956098532 /nfs/dbraw/zinc/09/85/32/956098532.db2.gz GLNNXCAZUFLGOS-NWDGAFQWSA-N -1 0 308.338 -0.521 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001593924910 956108107 /nfs/dbraw/zinc/10/81/07/956108107.db2.gz DGLULKQMESTWKD-OQPBUACISA-N -1 0 310.310 -0.633 20 0 DBADRM C[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)[C@@H](C)N1CCOCC1 ZINC001589119809 956108539 /nfs/dbraw/zinc/10/85/39/956108539.db2.gz BCZLCYFQNSOYTI-NXEZZACHSA-N -1 0 311.342 -0.798 20 0 DBADRM C[C@@](NC(=O)c1cn(CC(=O)[O-])nn1)(C(N)=O)c1ccccc1 ZINC001589119825 956109164 /nfs/dbraw/zinc/10/91/64/956109164.db2.gz BPGCZQZJMFFBRB-AWEZNQCLSA-N -1 0 317.305 -0.507 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC001594597849 956110305 /nfs/dbraw/zinc/11/03/05/956110305.db2.gz FWZLGEQLADSVAZ-NSCUHMNNSA-N -1 0 318.289 -0.151 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC001593925110 956110675 /nfs/dbraw/zinc/11/06/75/956110675.db2.gz KITBNQNHVRXDQL-CQSZACIVSA-N -1 0 315.370 -0.855 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001593925248 956113618 /nfs/dbraw/zinc/11/36/18/956113618.db2.gz NSKXDNHXWQCFHQ-JSXKVYAWSA-N -1 0 305.352 -0.300 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC001593925222 956113694 /nfs/dbraw/zinc/11/36/94/956113694.db2.gz NAJCVFXXMYMTFN-YACGNSKGSA-N -1 0 324.337 -0.480 20 0 DBADRM Cn1ncnc1C1(O)CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001594599417 956120633 /nfs/dbraw/zinc/12/06/33/956120633.db2.gz USGLFTOSHXDKBM-UHFFFAOYSA-N -1 0 320.309 -0.640 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCc1cn(C(C)C)c(=O)[nH]c1=O ZINC001593926058 956126833 /nfs/dbraw/zinc/12/68/33/956126833.db2.gz ADDQJTWINSBEMG-ZDUSSCGKSA-N -1 0 313.310 -0.364 20 0 DBADRM Cn1nnnc1CCCNC(=O)C1(C(=O)[O-])CCSCC1 ZINC001594601034 956130633 /nfs/dbraw/zinc/13/06/33/956130633.db2.gz IYQIYUNHZHAPEC-UHFFFAOYSA-N -1 0 313.383 -0.143 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCc1nnc(C2CCOCC2)[nH]1 ZINC001593926736 956135000 /nfs/dbraw/zinc/13/50/00/956135000.db2.gz MICZSEGSTQLIGB-CYBMUJFWSA-N -1 0 312.326 -0.195 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCC1(S(C)(=O)=O)CCCC1 ZINC001593928307 956152375 /nfs/dbraw/zinc/15/23/75/956152375.db2.gz WWFMFWZMYFNMOW-LLVKDONJSA-N -1 0 307.368 -0.050 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCSC[C@@H]2CO)cc1C(=O)[O-] ZINC000388190434 972159398 /nfs/dbraw/zinc/15/93/98/972159398.db2.gz NAOKLKABKAOORC-QMMMGPOBSA-N -1 0 320.392 -0.178 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)OCC(=O)NC(=O)c1ccccc1 ZINC001593931905 956191643 /nfs/dbraw/zinc/19/16/43/956191643.db2.gz XGZKDIVPXLNVSO-AWEZNQCLSA-N -1 0 309.274 -0.024 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(S(C)(=O)=O)cn1 ZINC001593932132 956194275 /nfs/dbraw/zinc/19/42/75/956194275.db2.gz TWMFXTNZGNGHFD-LLVKDONJSA-N -1 0 302.308 -0.087 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(S(C)(=O)=O)cn1 ZINC001593932136 956194720 /nfs/dbraw/zinc/19/47/20/956194720.db2.gz TWMFXTNZGNGHFD-NSHDSACASA-N -1 0 302.308 -0.087 20 0 DBADRM C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C ZINC001589132197 956209744 /nfs/dbraw/zinc/20/97/44/956209744.db2.gz QAMBWNVEUBCXJB-HTQZYQBOSA-N -1 0 317.371 -0.664 20 0 DBADRM C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1C ZINC001589132199 956210267 /nfs/dbraw/zinc/21/02/67/956210267.db2.gz QAMBWNVEUBCXJB-SFYZADRCSA-N -1 0 317.371 -0.664 20 0 DBADRM C[C@@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589132688 956217069 /nfs/dbraw/zinc/21/70/69/956217069.db2.gz XNBGLWMXQYCUSC-RCZSTQMZSA-N -1 0 321.395 -0.199 20 0 DBADRM C[C@](O)(CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])C1CC1 ZINC001589135326 956221675 /nfs/dbraw/zinc/22/16/75/956221675.db2.gz HNTUQZCKVPNXLQ-CABZTGNLSA-N -1 0 305.352 -0.752 20 0 DBADRM C[C@@](O)(CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])C1CC1 ZINC001589135327 956221818 /nfs/dbraw/zinc/22/18/18/956221818.db2.gz HNTUQZCKVPNXLQ-JOYOIKCWSA-N -1 0 305.352 -0.752 20 0 DBADRM CO[C@@](C)(CO)CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593937556 956232465 /nfs/dbraw/zinc/23/24/65/956232465.db2.gz YWTZKKKIURXJTO-CYBMUJFWSA-N -1 0 311.294 -0.768 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N(C)CCC(=O)[O-])[C@H]1CCOC1 ZINC001593938008 956240849 /nfs/dbraw/zinc/24/08/49/956240849.db2.gz AKSJEMZILULFFK-VHSXEESVSA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1cc(F)c(F)cc1F)C(=O)[O-] ZINC001589137970 956240895 /nfs/dbraw/zinc/24/08/95/956240895.db2.gz FGMNUBDDAGDOCG-GFCCVEGCSA-N -1 0 320.223 -0.006 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)NCC(=O)N2CCOCC2)o1 ZINC000388436666 972170473 /nfs/dbraw/zinc/17/04/73/972170473.db2.gz GOPFXZAWQJSVQH-UHFFFAOYSA-N -1 0 311.294 -0.364 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1COCCN1C1CCCC1)C(=O)[O-] ZINC001589138330 956246250 /nfs/dbraw/zinc/24/62/50/956246250.db2.gz AKZAHHBBXLPQOY-FZMZJTMJSA-N -1 0 300.355 -0.418 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1COCCN1C1CCCC1)C(=O)[O-] ZINC001589138331 956246891 /nfs/dbraw/zinc/24/68/91/956246891.db2.gz AKZAHHBBXLPQOY-RISCZKNCSA-N -1 0 300.355 -0.418 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1ccc2c(n1)CCC2)C(=O)[O-] ZINC001589138509 956249331 /nfs/dbraw/zinc/24/93/31/956249331.db2.gz QAVUPKFVGOYISQ-CQSZACIVSA-N -1 0 307.306 -0.539 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)CC(C)C ZINC001593938921 956257271 /nfs/dbraw/zinc/25/72/71/956257271.db2.gz OIWUVDIEQNMXOS-WDEREUQCSA-N -1 0 316.354 -0.524 20 0 DBADRM C[C@](O)(CNC(=O)Cc1csc(-c2nc[nH]n2)n1)C(=O)[O-] ZINC001589140375 956264270 /nfs/dbraw/zinc/26/42/70/956264270.db2.gz JOJIDZXORMVGRQ-NSHDSACASA-N -1 0 311.323 -0.578 20 0 DBADRM N#Cc1ccc(S(=O)(=O)CCN2C[C@@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000388330364 972165745 /nfs/dbraw/zinc/16/57/45/972165745.db2.gz DEZKBDAIIIMVJQ-AAEUAGOBSA-N -1 0 324.358 -0.148 20 0 DBADRM C[C@](O)(CNC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-] ZINC001589141058 956269571 /nfs/dbraw/zinc/26/95/71/956269571.db2.gz YHTUVHSZWKCJPX-AWEZNQCLSA-N -1 0 305.290 -0.652 20 0 DBADRM CO[C@]1(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001593943368 956299901 /nfs/dbraw/zinc/29/99/01/956299901.db2.gz KBQJHGCXMCHVNL-YGOYTEALSA-N -1 0 305.352 -0.440 20 0 DBADRM COC1(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCC1 ZINC001593943505 956301201 /nfs/dbraw/zinc/30/12/01/956301201.db2.gz KFAQTJHQROQGSW-UHFFFAOYSA-N -1 0 319.379 -0.049 20 0 DBADRM CO[C@@]1(C(=O)Nc2cncc(C(=O)[O-])c2)CCS(=O)(=O)C1 ZINC001593943536 956301414 /nfs/dbraw/zinc/30/14/14/956301414.db2.gz MXKBSJHLCAWKGZ-LBPRGKRZSA-N -1 0 314.319 -0.078 20 0 DBADRM COC1([C@@H](C)NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCOCC1 ZINC001593943544 956301598 /nfs/dbraw/zinc/30/15/98/956301598.db2.gz MZBYKIZYSHUMBD-SCZZXKLOSA-N -1 0 300.311 -0.084 20 0 DBADRM COC1(C(=O)Nc2cc(C(=O)[O-])ccn2)CS(=O)(=O)C1 ZINC001593943594 956302139 /nfs/dbraw/zinc/30/21/39/956302139.db2.gz OADRSXKCYHRHTP-UHFFFAOYSA-N -1 0 300.292 -0.468 20 0 DBADRM CO[C@]1(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001593943764 956303941 /nfs/dbraw/zinc/30/39/41/956303941.db2.gz RIGPICIYIOZONV-OPQQBVKSSA-N -1 0 319.379 -0.241 20 0 DBADRM C[C@@](O)(CO)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589147313 956305754 /nfs/dbraw/zinc/30/57/54/956305754.db2.gz DBDKXZIVTWGWAW-AWEZNQCLSA-N -1 0 310.306 -0.888 20 0 DBADRM COC1(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CS(=O)(=O)C1 ZINC001593944006 956309417 /nfs/dbraw/zinc/30/94/17/956309417.db2.gz VGYXBKPKXSEDAC-BDAKNGLRSA-N -1 0 305.352 -0.631 20 0 DBADRM C[C@@](O)(CO)CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589147701 956312329 /nfs/dbraw/zinc/31/23/29/956312329.db2.gz JTCKRMMWLUFGQL-WFASDCNBSA-N -1 0 321.333 -0.435 20 0 DBADRM C[C@](O)(CNC(=O)c1csc(S(C)(=O)=O)c1)C(=O)[O-] ZINC001589147828 956314700 /nfs/dbraw/zinc/31/47/00/956314700.db2.gz YUFYGEGWJAQKAP-JTQLQIEISA-N -1 0 307.349 -0.283 20 0 DBADRM CO[C@H](Cn1nnnc1N(C)C[C@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC001593944553 956315937 /nfs/dbraw/zinc/31/59/37/956315937.db2.gz LLHRCGSILKDECP-HBNTYKKESA-N -1 0 313.358 -0.119 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NC[C@@](C)(O)CO)n1 ZINC001589148692 956324314 /nfs/dbraw/zinc/32/43/14/956324314.db2.gz XTFUYHWBMMQZAV-GFCCVEGCSA-N -1 0 300.315 -0.432 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1c[nH]c2ncncc12)C(=O)[O-] ZINC001589148769 956325395 /nfs/dbraw/zinc/32/53/95/956325395.db2.gz ZQXOSALECUSQNZ-JTQLQIEISA-N -1 0 300.296 -0.977 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001589152211 956331801 /nfs/dbraw/zinc/33/18/01/956331801.db2.gz KZUUMBMNDUXZRL-NOOOWODRSA-N -1 0 303.355 -0.154 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001589152317 956334301 /nfs/dbraw/zinc/33/43/01/956334301.db2.gz MVFBKJVNYQPWRZ-ZJUUUORDSA-N -1 0 324.333 -0.087 20 0 DBADRM C[C@@H](O)CN(C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C1CC1 ZINC001589152372 956334417 /nfs/dbraw/zinc/33/44/17/956334417.db2.gz NWJGZQVVQVQWEO-MRVPVSSYSA-N -1 0 310.310 -0.722 20 0 DBADRM C[C@H](O)CC(C)(C)CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001589152819 956342376 /nfs/dbraw/zinc/34/23/76/956342376.db2.gz MCLMKSLCTIJYJY-VHSXEESVSA-N -1 0 300.355 -0.167 20 0 DBADRM COC1(OC)CCOC[C@@H]1NC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001593947515 956343991 /nfs/dbraw/zinc/34/39/91/956343991.db2.gz KBXDUBZYRSQSBW-CABZTGNLSA-N -1 0 303.311 -0.486 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CCO1 ZINC001589153354 956347499 /nfs/dbraw/zinc/34/74/99/956347499.db2.gz QVBHRCHUSSDXSN-SKDRFNHKSA-N -1 0 322.317 -0.069 20 0 DBADRM C[C@@H](O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589153530 956348521 /nfs/dbraw/zinc/34/85/21/956348521.db2.gz VOWNSCAZZBJHRY-NXEZZACHSA-N -1 0 324.337 -0.332 20 0 DBADRM C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589153532 956349279 /nfs/dbraw/zinc/34/92/79/956349279.db2.gz VOWNSCAZZBJHRY-VHSXEESVSA-N -1 0 324.337 -0.332 20 0 DBADRM COC1(OC)CCN(C(=O)c2ccc(C(=O)[O-])cn2)C[C@@H]1O ZINC001593948221 956351343 /nfs/dbraw/zinc/35/13/43/956351343.db2.gz VXFBDEDUABNNJP-NSHDSACASA-N -1 0 310.306 -0.024 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@H](C(=O)[O-])c2ccnn2C)nn1 ZINC001589153682 956351948 /nfs/dbraw/zinc/35/19/48/956351948.db2.gz BHNNRPUEHZZPBS-CPCISQLKSA-N -1 0 308.298 -0.993 20 0 DBADRM COC1CCC(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC001593949939 956367773 /nfs/dbraw/zinc/36/77/73/956367773.db2.gz WBSPNJOHRCVKTQ-VQXHTEKXSA-N -1 0 314.338 -0.628 20 0 DBADRM COC1CCC(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC001593949937 956367970 /nfs/dbraw/zinc/36/79/70/956367970.db2.gz WBSPNJOHRCVKTQ-ILDUYXDCSA-N -1 0 314.338 -0.628 20 0 DBADRM NC(=O)[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)c1ccccc1 ZINC001594637081 956381060 /nfs/dbraw/zinc/38/10/60/956381060.db2.gz USWYODCNDJGLIH-LLVKDONJSA-N -1 0 303.278 -0.681 20 0 DBADRM NC(=O)[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)c1ccccc1 ZINC001594637082 956381394 /nfs/dbraw/zinc/38/13/94/956381394.db2.gz USWYODCNDJGLIH-NSHDSACASA-N -1 0 303.278 -0.681 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC001594637814 956384064 /nfs/dbraw/zinc/38/40/64/956384064.db2.gz AYGISMVKWVEIPT-NXEZZACHSA-N -1 0 311.338 -0.967 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1 ZINC001594637823 956385171 /nfs/dbraw/zinc/38/51/71/956385171.db2.gz BCSHBHPQOIJADZ-RQOWECAXSA-N -1 0 308.290 -0.170 20 0 DBADRM NC(=O)C[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)C1CCCCC1 ZINC001594638097 956389511 /nfs/dbraw/zinc/38/95/11/956389511.db2.gz AWHNNEWNWOJSGB-JTQLQIEISA-N -1 0 323.353 -0.083 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)NCc2ccccc2C(=O)[O-])CC1 ZINC001594638397 956393905 /nfs/dbraw/zinc/39/39/05/956393905.db2.gz ODDOSHODDQXVBG-UHFFFAOYSA-N -1 0 321.333 -0.093 20 0 DBADRM COC[C@@H](C)OC[C@@H](O)CN1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000388660610 972185509 /nfs/dbraw/zinc/18/55/09/972185509.db2.gz GCTYGDKCJHQEMG-KOLCDFICSA-N -1 0 314.342 -0.755 20 0 DBADRM NC(=O)C1(NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC001594638647 956395749 /nfs/dbraw/zinc/39/57/49/956395749.db2.gz PIXYZEDCCKBMGK-UHFFFAOYSA-N -1 0 309.253 -0.404 20 0 DBADRM NC(=O)[C@H]1CCC[C@H](C(=O)OCCc2cn(CC(=O)[O-])nn2)C1 ZINC001594638794 956396794 /nfs/dbraw/zinc/39/67/94/956396794.db2.gz SJSOMVNQTXQRPW-UWVGGRQHSA-N -1 0 324.337 -0.260 20 0 DBADRM CO[C@H]1COCC[C@H]1N(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593951900 956399023 /nfs/dbraw/zinc/39/90/23/956399023.db2.gz UYOFOYVWWCREFK-VWYCJHECSA-N -1 0 322.383 -0.484 20 0 DBADRM COCC(C)(C)N1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001593952175 956402577 /nfs/dbraw/zinc/40/25/77/956402577.db2.gz DFUJVPXODSVNLJ-NSHDSACASA-N -1 0 313.354 -0.215 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)C2(C(=O)[O-])CCSCC2)CCO1 ZINC001594639290 956403290 /nfs/dbraw/zinc/40/32/90/956403290.db2.gz WHPJOQAJRFIQEY-VIFPVBQESA-N -1 0 316.379 -0.313 20 0 DBADRM COC[C@@](C)(O)CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593954989 956420098 /nfs/dbraw/zinc/42/00/98/956420098.db2.gz UXVSXGVRAFECDM-ZDUSSCGKSA-N -1 0 311.294 -0.768 20 0 DBADRM COC[C@](C)(O)CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593954988 956420277 /nfs/dbraw/zinc/42/02/77/956420277.db2.gz UXVSXGVRAFECDM-CYBMUJFWSA-N -1 0 311.294 -0.768 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001589162076 956421856 /nfs/dbraw/zinc/42/18/56/956421856.db2.gz KOMQBNZVVKMCIH-AXFHLTTASA-N -1 0 315.322 -0.201 20 0 DBADRM COC[C@@H](C)n1ccc(NC(=O)C(=O)N(C)CCC(=O)[O-])n1 ZINC001593955984 956423852 /nfs/dbraw/zinc/42/38/52/956423852.db2.gz FNGOAVBNRSSTFP-SECBINFHSA-N -1 0 312.326 -0.038 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN([C@H](C)C(=O)[O-])C1CC1 ZINC001593956039 956425633 /nfs/dbraw/zinc/42/56/33/956425633.db2.gz ICIVWEVGQWBIFS-RKDXNWHRSA-N -1 0 301.343 -0.215 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN([C@@H](C)C(=O)[O-])C1CC1 ZINC001593956038 956425651 /nfs/dbraw/zinc/42/56/51/956425651.db2.gz ICIVWEVGQWBIFS-IUCAKERBSA-N -1 0 301.343 -0.215 20 0 DBADRM NC(=O)Cn1cc(NC(=O)C2(CC(=O)[O-])CCC2)ccc1=O ZINC001594645159 956435992 /nfs/dbraw/zinc/43/59/92/956435992.db2.gz NZOXDYCDQRGCBQ-UHFFFAOYSA-N -1 0 307.306 -0.083 20 0 DBADRM NC(=O)NC[C@@H]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001594647292 956440166 /nfs/dbraw/zinc/44/01/66/956440166.db2.gz CBCQGJHZTTUALN-QMMMGPOBSA-N -1 0 307.310 -0.305 20 0 DBADRM COC[C@@H](NC(=O)C(=O)N(C)CCC(=O)[O-])[C@@H]1CCCOC1 ZINC001593957786 956451749 /nfs/dbraw/zinc/45/17/49/956451749.db2.gz ZDOURFDJGFVIMV-GHMZBOCLSA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C(C)C ZINC001593957796 956452844 /nfs/dbraw/zinc/45/28/44/956452844.db2.gz ZRKCAONZGKUCFK-VIFPVBQESA-N -1 0 312.326 -0.307 20 0 DBADRM NC(=O)c1ccc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000388661165 972185204 /nfs/dbraw/zinc/18/52/04/972185204.db2.gz QNMYYEYUWVMZFE-ONGXEEELSA-N -1 0 309.278 -0.287 20 0 DBADRM COC[C@@H](C)OC[C@H](O)CN1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000388660614 972185298 /nfs/dbraw/zinc/18/52/98/972185298.db2.gz GCTYGDKCJHQEMG-MWLCHTKSSA-N -1 0 314.342 -0.755 20 0 DBADRM COC[C@H](CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)OC ZINC001593958291 956460206 /nfs/dbraw/zinc/46/02/06/956460206.db2.gz WQRAYVFJJADRQH-ZJUUUORDSA-N -1 0 302.327 -0.913 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)nc1Cl ZINC001594649742 956462141 /nfs/dbraw/zinc/46/21/41/956462141.db2.gz NFMRLUYTFPNDPF-MRVPVSSYSA-N -1 0 313.697 -0.241 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H]2CCCO2)C1 ZINC001593958520 956464532 /nfs/dbraw/zinc/46/45/32/956464532.db2.gz FTLUYBCDKHMGAK-IINYFYTJSA-N -1 0 314.338 -0.769 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cc(C)on2)C1 ZINC001593958871 956466912 /nfs/dbraw/zinc/46/69/12/956466912.db2.gz NNZGECLOKFQBLJ-ZDUSSCGKSA-N -1 0 311.294 -0.129 20 0 DBADRM C[C@@H](SCC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC001589170001 956467307 /nfs/dbraw/zinc/46/73/07/956467307.db2.gz WFDWIYWTXVSVHF-MRVPVSSYSA-N -1 0 312.413 -0.410 20 0 DBADRM COC[C@@H](OC)C(=O)O[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593959467 956471691 /nfs/dbraw/zinc/47/16/91/956471691.db2.gz YZPFQEQTOMTKFN-VHSXEESVSA-N -1 0 303.311 -0.343 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H](O)Cc2cnn(C)c2)C1 ZINC001593960189 956480732 /nfs/dbraw/zinc/48/07/32/956480732.db2.gz PFXXSWPNRRWWHL-RISCZKNCSA-N -1 0 311.338 -0.727 20 0 DBADRM NC(=O)c1cn(CCOC(=O)c2cccc(C(=O)[O-])c2)nn1 ZINC001594653271 956484864 /nfs/dbraw/zinc/48/48/64/956484864.db2.gz HYVKENFUMBRYIN-UHFFFAOYSA-N -1 0 304.262 -0.068 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001593961431 956485413 /nfs/dbraw/zinc/48/54/13/956485413.db2.gz BREJAYSMZVGUDE-GWCFXTLKSA-N -1 0 319.379 -0.097 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001593961434 956485442 /nfs/dbraw/zinc/48/54/42/956485442.db2.gz BREJAYSMZVGUDE-ZWNOBZJWSA-N -1 0 319.379 -0.097 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC001594653976 956492356 /nfs/dbraw/zinc/49/23/56/956492356.db2.gz IJITYHNUQRJRJM-PSASIEDQSA-N -1 0 304.368 -0.376 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC001594653985 956493062 /nfs/dbraw/zinc/49/30/62/956493062.db2.gz IJITYHNUQRJRJM-WCBMZHEXSA-N -1 0 304.368 -0.376 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)Cn2cc([C@@H](C)O)nn2)C1 ZINC001593962269 956499707 /nfs/dbraw/zinc/49/97/07/956499707.db2.gz DTQCLHJHRRQULQ-NOZJJQNGSA-N -1 0 312.326 -0.719 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC001594654814 956499755 /nfs/dbraw/zinc/49/97/55/956499755.db2.gz ZKPKXZZDSQZMPL-UPHRSURJSA-N -1 0 300.292 -0.510 20 0 DBADRM NS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001594655075 956502161 /nfs/dbraw/zinc/50/21/61/956502161.db2.gz JKLARACUICMAHS-KXUCPTDWSA-N -1 0 319.383 -0.871 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)Cc2nnc(N)s2)C1 ZINC001593962627 956503186 /nfs/dbraw/zinc/50/31/86/956503186.db2.gz ICOHQEXRUJKADS-NSHDSACASA-N -1 0 300.340 -0.388 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCCCC(=O)[O-] ZINC001594657087 956506155 /nfs/dbraw/zinc/50/61/55/956506155.db2.gz AOPLTHXZSVPNGS-VIFPVBQESA-N -1 0 307.372 -0.296 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001593962941 956508570 /nfs/dbraw/zinc/50/85/70/956508570.db2.gz VCJWHRLFRZFTLR-OAHLLOKOSA-N -1 0 323.349 -0.190 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001594657838 956509669 /nfs/dbraw/zinc/50/96/69/956509669.db2.gz NBPLUZQEYFMFET-AOOOYVTPSA-N -1 0 319.383 -0.440 20 0 DBADRM NS(=O)(=O)CCCCCCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001594658158 956511115 /nfs/dbraw/zinc/51/11/15/956511115.db2.gz WWEWWFOHXFOTDW-SNVBAGLBSA-N -1 0 322.383 -0.463 20 0 DBADRM Nc1c(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cnn1C1CC1 ZINC001594659416 956520396 /nfs/dbraw/zinc/52/03/96/956520396.db2.gz NWWAFEVSWHZLLP-XLKFXECMSA-N -1 0 306.322 -0.027 20 0 DBADRM NS(=O)(=O)c1ccc(CCC(=O)N2CC(C(=O)[O-])C2)cc1 ZINC001594661495 956540526 /nfs/dbraw/zinc/54/05/26/956540526.db2.gz ULSIAWIDBGICLO-UHFFFAOYSA-N -1 0 312.347 -0.190 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1C(=O)CCN1C(=O)CCNC1=S ZINC001589184450 956552502 /nfs/dbraw/zinc/55/25/02/956552502.db2.gz WNCARRAKQTVYOP-CYBMUJFWSA-N -1 0 313.379 -0.051 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@]3(CCOC3)C2)C1 ZINC001589187425 956568621 /nfs/dbraw/zinc/56/86/21/956568621.db2.gz RUTJFLDKHZIWJC-HUUCEWRRSA-N -1 0 310.350 -0.051 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@]3(CCOC3)C2)C1 ZINC001589187426 956568658 /nfs/dbraw/zinc/56/86/58/956568658.db2.gz RUTJFLDKHZIWJC-LSDHHAIUSA-N -1 0 310.350 -0.051 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](n3cccn3)C2)C1 ZINC001589187597 956569323 /nfs/dbraw/zinc/56/93/23/956569323.db2.gz WPNREMGFAJMIAV-NHYWBVRUSA-N -1 0 320.349 -0.020 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](O)C(F)(F)C2)C1 ZINC001589187563 956569330 /nfs/dbraw/zinc/56/93/30/956569330.db2.gz VXBQTXMSYALSQM-PRHODGIISA-N -1 0 320.292 -0.462 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2nc(C3CC3)no2)C1 ZINC001589187736 956571122 /nfs/dbraw/zinc/57/11/22/956571122.db2.gz GZNKQCLEVWOEQH-AWEZNQCLSA-N -1 0 322.321 -0.114 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2nc(C3CC3)no2)C1 ZINC001589187737 956571572 /nfs/dbraw/zinc/57/15/72/956571572.db2.gz GZNKQCLEVWOEQH-CQSZACIVSA-N -1 0 322.321 -0.114 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)C1 ZINC001589187861 956572482 /nfs/dbraw/zinc/57/24/82/956572482.db2.gz IKXYPRNSUYDYBM-QIBSRJKCSA-N -1 0 311.338 -0.920 20 0 DBADRM Nc1ncnc2sc3c(c21)CCN(CC(=O)NCC(=O)[O-])C3 ZINC001594667472 956590740 /nfs/dbraw/zinc/59/07/40/956590740.db2.gz IQIXVGSHIKKEMK-UHFFFAOYSA-N -1 0 321.362 -0.168 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)CN2CCCS2(=O)=O)CC1 ZINC001589190246 956591235 /nfs/dbraw/zinc/59/12/35/956591235.db2.gz ORQMBPJJEUFIBR-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM Nc1n[nH]c(C2CCN(C(=O)c3cnc(C(=O)[O-])cn3)CC2)n1 ZINC001594667940 956594733 /nfs/dbraw/zinc/59/47/33/956594733.db2.gz PVLKRMOHCXWQGO-UHFFFAOYSA-N -1 0 317.309 -0.105 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C(C)(C)NC(=O)OC)CCO1 ZINC001593969728 956595475 /nfs/dbraw/zinc/59/54/75/956595475.db2.gz COQRHKBPROFSLV-ZDUSSCGKSA-N -1 0 318.326 -0.550 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[C@H]1CCc3nnnn3CC1)C2 ZINC001594667890 956595539 /nfs/dbraw/zinc/59/55/39/956595539.db2.gz NEFKCZJLCFZLHM-BHDSKKPTSA-N -1 0 321.337 -0.815 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H](C)c2cncnc2)CCO1 ZINC001593970140 956601238 /nfs/dbraw/zinc/60/12/38/956601238.db2.gz JRHBFVVMKXBFOF-HZMBPMFUSA-N -1 0 309.322 -0.091 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H](C)c2cncnc2)CCO1 ZINC001593970141 956601260 /nfs/dbraw/zinc/60/12/60/956601260.db2.gz JRHBFVVMKXBFOF-IINYFYTJSA-N -1 0 309.322 -0.091 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2nnnn2C2CCOCC2)C1 ZINC001593970195 956601718 /nfs/dbraw/zinc/60/17/18/956601718.db2.gz KCUQDZQGHZKZLW-ZDUSSCGKSA-N -1 0 311.342 -0.048 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@H](C)C[S@](C)=O)CCO1 ZINC001593971636 956624888 /nfs/dbraw/zinc/62/48/88/956624888.db2.gz DEYOLXHXMXAJEC-KHUFEXMSSA-N -1 0 322.383 -0.735 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H]2CCn3ccnc3C2)CCO1 ZINC001593971966 956628584 /nfs/dbraw/zinc/62/85/84/956628584.db2.gz ILDGKKKOMUKBLJ-XHDPSFHLSA-N -1 0 323.349 -0.226 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)COc2cc(C)on2)CCO1 ZINC001593972103 956630350 /nfs/dbraw/zinc/63/03/50/956630350.db2.gz DMRFTVVNUSSDRJ-CYBMUJFWSA-N -1 0 314.294 -0.310 20 0 DBADRM CC1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(N)nc2)CC1 ZINC001589202625 956644318 /nfs/dbraw/zinc/64/43/18/956644318.db2.gz ZUERNSKCLOXOGH-UHFFFAOYSA-N -1 0 300.340 -0.066 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)Cn2cc(C3CC3)nn2)CCO1 ZINC001593973764 956645634 /nfs/dbraw/zinc/64/56/34/956645634.db2.gz LJXHEKMJIQNVLI-AWEZNQCLSA-N -1 0 324.337 -0.516 20 0 DBADRM CC1(C(N)=O)CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC001589203519 956649260 /nfs/dbraw/zinc/64/92/60/956649260.db2.gz NVOVGGPRTBHJKZ-UHFFFAOYSA-N -1 0 319.317 -0.414 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2nnc([C@@H]3CCC(=O)N3)n2C)C1 ZINC001593974469 956651781 /nfs/dbraw/zinc/65/17/81/956651781.db2.gz MNVINEBESOTOSZ-LKFCYVNXSA-N -1 0 323.353 -0.306 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CNCC(F)(F)F)CCO1 ZINC001593974740 956653853 /nfs/dbraw/zinc/65/38/53/956653853.db2.gz ONQKJUGQRFUYJU-JTQLQIEISA-N -1 0 314.260 -0.533 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2nnnn2CCSC)C1 ZINC001593975522 956661950 /nfs/dbraw/zinc/66/19/50/956661950.db2.gz QUIYKIMFOKQAIG-LLVKDONJSA-N -1 0 301.372 -0.036 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H](C)[C@H]2CCC(=O)N2)CCO1 ZINC001593976068 956665178 /nfs/dbraw/zinc/66/51/78/956665178.db2.gz UMXOVGZDURSQHG-RULNRJAQSA-N -1 0 314.338 -0.770 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2nnc([C@@H]3CNC(=O)C3)n2C)C1 ZINC001593976134 956666328 /nfs/dbraw/zinc/66/63/28/956666328.db2.gz VELZWCIPGMPNNO-LKFCYVNXSA-N -1 0 323.353 -0.654 20 0 DBADRM O=C(C[C@@H]1CCCS(=O)(=O)C1)N[C@]1(C(=O)[O-])CCOC1 ZINC001594677161 956668641 /nfs/dbraw/zinc/66/86/41/956668641.db2.gz HVPNCTBQIPROPR-JOYOIKCWSA-N -1 0 305.352 -0.439 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCc2ccn(C)n2)CCO1 ZINC001593977495 956678482 /nfs/dbraw/zinc/67/84/82/956678482.db2.gz BKWYJKZJSZGYIC-ZDUSSCGKSA-N -1 0 312.326 -0.568 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2c3c(nn2C)CCC3)CCO1 ZINC001593977664 956680152 /nfs/dbraw/zinc/68/01/52/956680152.db2.gz MLLLSMLTVUXVJA-OAHLLOKOSA-N -1 0 323.349 -0.149 20 0 DBADRM CC1(C)CC(=O)NCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589210010 956680527 /nfs/dbraw/zinc/68/05/27/956680527.db2.gz RLGLQTUNAKGRJN-VIFPVBQESA-N -1 0 319.383 -0.619 20 0 DBADRM CC1(C)C[C@H](NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCS1(=O)=O ZINC001589211209 956688983 /nfs/dbraw/zinc/68/89/83/956688983.db2.gz DPSYATYEIRZPEA-APPZFPTMSA-N -1 0 318.351 -0.312 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC001589212414 956703012 /nfs/dbraw/zinc/70/30/12/956703012.db2.gz PVXFCPWDVSEQLA-RBSFLKMASA-N -1 0 308.334 -0.002 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cc(OC)ncn2)CCO1 ZINC001593979595 956703316 /nfs/dbraw/zinc/70/33/16/956703316.db2.gz DAXBBGUOXMQSIA-ZDUSSCGKSA-N -1 0 311.294 -0.573 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)NC1(C(=O)[O-])CCOCC1 ZINC001594685302 956708638 /nfs/dbraw/zinc/70/86/38/956708638.db2.gz UDYDVYFGSUMDQF-UHFFFAOYSA-N -1 0 320.367 -0.838 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cccc(C(N)=O)n2)CCO1 ZINC001593980426 956710581 /nfs/dbraw/zinc/71/05/81/956710581.db2.gz QUJRHJWMXDDFPX-CQSZACIVSA-N -1 0 323.305 -0.877 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001589214229 956723590 /nfs/dbraw/zinc/72/35/90/956723590.db2.gz YYYWRXMJLLFJCY-TYAJBCFHSA-N -1 0 304.368 -0.316 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NC[C@@]1(OCCO)CCOC1 ZINC001589217094 956730857 /nfs/dbraw/zinc/73/08/57/956730857.db2.gz HCECSEPZWGJJTF-KBPBESRZSA-N -1 0 301.339 -0.229 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NC[C@]1(OCCO)CCOC1 ZINC001589217099 956731576 /nfs/dbraw/zinc/73/15/76/956731576.db2.gz HCECSEPZWGJJTF-KGLIPLIRSA-N -1 0 301.339 -0.229 20 0 DBADRM O=C([O-])C(=O)COC(=O)CCNS(=O)(=O)c1ccccc1 ZINC001594688666 956734338 /nfs/dbraw/zinc/73/43/38/956734338.db2.gz ZJNVONPHRVIVCC-UHFFFAOYSA-N -1 0 315.303 -0.448 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nc(C)nc3c2cnn3C)CCO1 ZINC001593983963 956740878 /nfs/dbraw/zinc/74/08/78/956740878.db2.gz DLTKVSXSDDJPDS-AWEZNQCLSA-N -1 0 321.337 -0.022 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2nnnn2[C@@H](C)CF)CCO1 ZINC001593984384 956748832 /nfs/dbraw/zinc/74/88/32/956748832.db2.gz IMRINVJGQKKJCV-GZMMTYOYSA-N -1 0 303.294 -0.490 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(S(=O)(=O)C[C@H]2CCOC2)CCO1 ZINC001593984497 956749636 /nfs/dbraw/zinc/74/96/36/956749636.db2.gz QIANBYBWOZLBPM-JQWIXIFHSA-N -1 0 323.367 -0.845 20 0 DBADRM O=C(CN1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1)NC1CC1 ZINC001594695908 956770748 /nfs/dbraw/zinc/77/07/48/956770748.db2.gz GDAONBDKLYYIFA-KLPPZKSPSA-N -1 0 324.381 -0.545 20 0 DBADRM O=C(CN1CCOC1=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001594696355 956774511 /nfs/dbraw/zinc/77/45/11/956774511.db2.gz RYKKCMZFUXIDCW-UHFFFAOYSA-N -1 0 310.266 -0.498 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2C2(C)CCC2)CCO1 ZINC001593986014 956779731 /nfs/dbraw/zinc/77/97/31/956779731.db2.gz YVDAUEZBVSIJIX-ZDUSSCGKSA-N -1 0 311.342 -0.121 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CC(=O)NC[C@@H]2CCCO2)CCO1 ZINC001593986062 956781062 /nfs/dbraw/zinc/78/10/62/956781062.db2.gz MXNAUUSTUDYJON-SMDDNHRTSA-N -1 0 316.354 -0.916 20 0 DBADRM O=C([O-])[C@@]1(NCC(=O)NC(=O)NCc2ccco2)CCOC1 ZINC001594697165 956782060 /nfs/dbraw/zinc/78/20/60/956782060.db2.gz XHCZOLNPKRIJBT-CYBMUJFWSA-N -1 0 311.294 -0.561 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CC(=O)NCc2ccccn2)CCO1 ZINC001593986128 956783870 /nfs/dbraw/zinc/78/38/70/956783870.db2.gz OBZMJRJKNAZPSY-OAHLLOKOSA-N -1 0 323.349 -0.500 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C[C@H]2CN(C3CC3)C(=O)O2)CCO1 ZINC001593986468 956791352 /nfs/dbraw/zinc/79/13/52/956791352.db2.gz XLHILSSUJBHUJI-SMDDNHRTSA-N -1 0 314.338 -0.228 20 0 DBADRM O=C([O-])C1(NC(=O)CNC(=O)c2cccnc2)CCOCC1 ZINC001594697989 956793415 /nfs/dbraw/zinc/79/34/15/956793415.db2.gz YKJWRCGREJGHEQ-UHFFFAOYSA-N -1 0 307.306 -0.439 20 0 DBADRM COC[C@H]1COCCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001593989777 956824623 /nfs/dbraw/zinc/82/46/23/956824623.db2.gz DHZGYUJRTPABEB-JTQLQIEISA-N -1 0 314.338 -0.769 20 0 DBADRM COC[C@H]1COCCN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001593989814 956825741 /nfs/dbraw/zinc/82/57/41/956825741.db2.gz GRFZMXOLIGZHRI-JTQLQIEISA-N -1 0 316.354 -0.523 20 0 DBADRM CC1(C)CN(C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@@H](CO)O1 ZINC001589231511 956826602 /nfs/dbraw/zinc/82/66/02/956826602.db2.gz RIOHMNSCVXNBAK-VIFPVBQESA-N -1 0 312.326 -0.029 20 0 DBADRM COCC[C@@H](C)NC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001593990071 956830297 /nfs/dbraw/zinc/83/02/97/956830297.db2.gz SGUWWUWWALRXMQ-MFKMUULPSA-N -1 0 304.343 -0.077 20 0 DBADRM O=C([O-])c1ccccc1CC(=O)NC[C@@H](O)Cn1ccnn1 ZINC001594707669 956851610 /nfs/dbraw/zinc/85/16/10/956851610.db2.gz HYMMICIDUKWSLX-LLVKDONJSA-N -1 0 304.306 -0.304 20 0 DBADRM COCCC[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001593992860 956854568 /nfs/dbraw/zinc/85/45/68/956854568.db2.gz JIOKWIIXHOOWCE-NXEZZACHSA-N -1 0 307.368 -0.241 20 0 DBADRM COCCCN(CCO)C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593993330 956858829 /nfs/dbraw/zinc/85/88/29/956858829.db2.gz DJAYWCAQPWUNGT-UHFFFAOYSA-N -1 0 316.354 -0.833 20 0 DBADRM CC1(C2CCN(C(=O)C(=O)NCCC(=O)[O-])CC2)OCCO1 ZINC001589239966 956872696 /nfs/dbraw/zinc/87/26/96/956872696.db2.gz NWXZFNIJJPRFJG-UHFFFAOYSA-N -1 0 314.338 -0.421 20 0 DBADRM COCCCOCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593994898 956873909 /nfs/dbraw/zinc/87/39/09/956873909.db2.gz YUIFFCWMBVCENZ-NSHDSACASA-N -1 0 316.354 -0.379 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001593995235 956880139 /nfs/dbraw/zinc/88/01/39/956880139.db2.gz MADOGLFKCCMLRW-UHFFFAOYSA-N -1 0 320.327 -0.998 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)C(=O)NCCCCC(=O)[O-])O1 ZINC001589240449 956880285 /nfs/dbraw/zinc/88/02/85/956880285.db2.gz RDPVKTNRMGPQPQ-VIFPVBQESA-N -1 0 302.327 -0.375 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCCCO1 ZINC001589240906 956886102 /nfs/dbraw/zinc/88/61/02/956886102.db2.gz BWJOKVXXAKWORL-IINYFYTJSA-N -1 0 314.338 -0.626 20 0 DBADRM CC[S@](=O)CCNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000389419820 972223607 /nfs/dbraw/zinc/22/36/07/972223607.db2.gz NEVPCXLPUXVCBH-SFHVURJKSA-N -1 0 306.365 -0.173 20 0 DBADRM COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H](C)C(=O)[O-])CC1=O ZINC001593995708 956892530 /nfs/dbraw/zinc/89/25/30/956892530.db2.gz PRWZSVHXAHGFIS-MNOVXSKESA-N -1 0 315.370 -0.998 20 0 DBADRM CC1(COC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)COC1 ZINC001589245519 956909822 /nfs/dbraw/zinc/90/98/22/956909822.db2.gz HMFNKPHLPPUXLQ-UHFFFAOYSA-N -1 0 306.336 -0.154 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1c(C)[nH]c(=O)[nH]c1=S ZINC001593998148 956910439 /nfs/dbraw/zinc/91/04/39/956910439.db2.gz UGLKSZWXNJVLBA-UHFFFAOYSA-N -1 0 301.324 -0.047 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cn(C)c2c(cnn2C)c1=O ZINC001593998752 956912090 /nfs/dbraw/zinc/91/20/90/956912090.db2.gz GZYYMKCMOMXASL-UHFFFAOYSA-N -1 0 322.321 -0.555 20 0 DBADRM C[C@@]1(CO)CCCN1C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589245789 956915268 /nfs/dbraw/zinc/91/52/68/956915268.db2.gz RBDHMFAYQSPHLD-ZDUSSCGKSA-N -1 0 310.310 -0.720 20 0 DBADRM O=C([O-])C(=O)COC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O ZINC001594714940 956916766 /nfs/dbraw/zinc/91/67/66/956916766.db2.gz TUFJOOWUFPXBHF-UHFFFAOYSA-N -1 0 324.220 -0.161 20 0 DBADRM CC1(CO)CN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001589245883 956916925 /nfs/dbraw/zinc/91/69/25/956916925.db2.gz UKZXPSJZFILGTL-JTQLQIEISA-N -1 0 313.354 -0.524 20 0 DBADRM COCCN(CC(=O)[O-])CC(=O)N[C@H](C(=O)OC)C(C)C ZINC001593999807 956917360 /nfs/dbraw/zinc/91/73/60/956917360.db2.gz HVRVXWOIRWANHP-LBPRGKRZSA-N -1 0 304.343 -0.667 20 0 DBADRM C[C@@]1(NC(=O)NCCOCCOCC(=O)[O-])CCCOC1 ZINC001589245995 956918390 /nfs/dbraw/zinc/91/83/90/956918390.db2.gz CHGJVAMXTCGQLZ-CYBMUJFWSA-N -1 0 304.343 -0.028 20 0 DBADRM COCCN(CC(=O)[O-])[C@@H]1CCN(C2CCOCC2)C1=O ZINC001593999880 956920122 /nfs/dbraw/zinc/92/01/22/956920122.db2.gz WMJXQECXNXYZQC-GFCCVEGCSA-N -1 0 300.355 -0.201 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@H](O)[C@@H](C)C1 ZINC001594001482 956933043 /nfs/dbraw/zinc/93/30/43/956933043.db2.gz RXZWAPOVMCHLOJ-QWRGUYRKSA-N -1 0 316.354 -0.835 20 0 DBADRM C[C@]1(NC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CCOC1=O ZINC001589246945 956936717 /nfs/dbraw/zinc/93/67/17/956936717.db2.gz ZWFDPQXXBCDXTH-ZDUSSCGKSA-N -1 0 307.262 -0.460 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@H](NC(=O)C1CC1)[C@H](C)O ZINC001594002057 956937525 /nfs/dbraw/zinc/93/75/25/956937525.db2.gz ZRVMMYUMUUDEDQ-JOYOIKCWSA-N -1 0 316.354 -0.788 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)CNC(=O)N1CCCC1 ZINC001594002209 956939111 /nfs/dbraw/zinc/93/91/11/956939111.db2.gz GRBJGTMCLDOQRJ-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@@H](C)C1N=NC(=O)N1C ZINC001594004309 956944373 /nfs/dbraw/zinc/94/43/73/956944373.db2.gz BYDVVBNVSBCLSN-QMMMGPOBSA-N -1 0 315.330 -0.286 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@@H](C)c1nnnn1C ZINC001594004478 956949092 /nfs/dbraw/zinc/94/90/92/956949092.db2.gz LIOJQBQTICSNOT-QMMMGPOBSA-N -1 0 300.319 -0.596 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@H](C)CS(C)(=O)=O ZINC001594004565 956950003 /nfs/dbraw/zinc/95/00/03/956950003.db2.gz QADLMFMRADGZAE-SECBINFHSA-N -1 0 310.372 -0.448 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC001594004628 956950634 /nfs/dbraw/zinc/95/06/34/956950634.db2.gz BDGBYKZRDGCMGA-NXEZZACHSA-N -1 0 317.342 -0.848 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NC1CC(CC(N)=O)C1 ZINC001594004708 956951777 /nfs/dbraw/zinc/95/17/77/956951777.db2.gz RLNUZBRFYPTOBI-UHFFFAOYSA-N -1 0 301.343 -0.227 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)C1=C2CCCN=C2NN1 ZINC001594719405 956957505 /nfs/dbraw/zinc/95/75/05/956957505.db2.gz RBNQGGXQCDHQAP-LLVKDONJSA-N -1 0 315.333 -0.252 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1cccn2nnnc12 ZINC001594719452 956957639 /nfs/dbraw/zinc/95/76/39/956957639.db2.gz RYBXPAIQVPNGFM-LLVKDONJSA-N -1 0 312.289 -0.055 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NC[C@@]1(C)CCC(=O)N1 ZINC001594005169 956961106 /nfs/dbraw/zinc/96/11/06/956961106.db2.gz NNDOVSINYRQGER-CYBMUJFWSA-N -1 0 301.343 -0.212 20 0 DBADRM C[C@]12COC[C@H]1CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C2 ZINC001589254415 956979761 /nfs/dbraw/zinc/97/97/61/956979761.db2.gz IASYXEKGHHZEAD-HFAKWTLXSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2nc3ccccc3c(=O)[nH]2)CCOC1 ZINC001594723817 956982418 /nfs/dbraw/zinc/98/24/18/956982418.db2.gz LLPLOCDQWQUDBA-AWEZNQCLSA-N -1 0 303.274 -0.103 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2cccc(-n3cncn3)n2)CCOC1 ZINC001594723989 956983516 /nfs/dbraw/zinc/98/35/16/956983516.db2.gz PFIWNAYFSNHVKD-CYBMUJFWSA-N -1 0 303.278 -0.364 20 0 DBADRM O=C([O-])C1(NC(=O)[C@@]2(F)CCS(=O)(=O)C2)CCOCC1 ZINC001594723879 956983580 /nfs/dbraw/zinc/98/35/80/956983580.db2.gz MZJYHCFVQINHTG-SNVBAGLBSA-N -1 0 309.315 -0.737 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2ccc(Cn3ccnn3)o2)CCOC1 ZINC001594723901 956983833 /nfs/dbraw/zinc/98/38/33/956983833.db2.gz NOCBWVWYTDLNMI-ZDUSSCGKSA-N -1 0 306.278 -0.107 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1coc(S(N)(=O)=O)c1 ZINC001594010531 956988753 /nfs/dbraw/zinc/98/87/53/956988753.db2.gz PFOHOHKRBWHWLM-UHFFFAOYSA-N -1 0 320.323 -0.510 20 0 DBADRM CC1=C(C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@H](C)n2nnnc2N1C ZINC001589256452 956997025 /nfs/dbraw/zinc/99/70/25/956997025.db2.gz QNISVQWNXWVTFJ-IUCAKERBSA-N -1 0 322.325 -0.730 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)NC2(C(=O)[O-])CCOCC2)C1=O ZINC001589256760 957003022 /nfs/dbraw/zinc/00/30/22/957003022.db2.gz VMYRQFKDZBNYNO-UHFFFAOYSA-N -1 0 324.333 -0.168 20 0 DBADRM CN(C)C(=O)CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000013277285 957008069 /nfs/dbraw/zinc/00/80/69/957008069.db2.gz ZKJLSBNBXCIDPW-UHFFFAOYSA-N -1 0 301.324 -0.468 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC001589257063 957008691 /nfs/dbraw/zinc/00/86/91/957008691.db2.gz UWVSRYPLYCREEE-JTQLQIEISA-N -1 0 315.351 -0.013 20 0 DBADRM COCCNC(=S)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594016223 957039534 /nfs/dbraw/zinc/03/95/34/957039534.db2.gz UEZAVWVVENPQIJ-VIFPVBQESA-N -1 0 303.384 -0.437 20 0 DBADRM COCCOCCN(C)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001594017514 957046012 /nfs/dbraw/zinc/04/60/12/957046012.db2.gz OYDQUFDWHZOJRN-AWEZNQCLSA-N -1 0 316.354 -0.569 20 0 DBADRM COCCOCCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594017676 957046134 /nfs/dbraw/zinc/04/61/34/957046134.db2.gz UULMBVFSGATKQA-JTQLQIEISA-N -1 0 302.327 -0.911 20 0 DBADRM COCCOCCN(CCO)C(=O)c1cc(C(=O)[O-])nn1C ZINC001594017679 957046191 /nfs/dbraw/zinc/04/61/91/957046191.db2.gz VJXIHFBLDMHOHS-UHFFFAOYSA-N -1 0 315.326 -0.784 20 0 DBADRM COCCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001594017746 957047760 /nfs/dbraw/zinc/04/77/60/957047760.db2.gz BDSJJPWOBOJDAQ-OUAUKWLOSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC001589262616 957048629 /nfs/dbraw/zinc/04/86/29/957048629.db2.gz QAKKVONJVUKVPZ-ZLVALASMSA-N -1 0 304.368 -0.713 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCn3nccc32)C1 ZINC001594732587 957053027 /nfs/dbraw/zinc/05/30/27/957053027.db2.gz RLFZEWLMUYJULK-UWVGGRQHSA-N -1 0 306.322 -0.233 20 0 DBADRM COCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)[O-])c1 ZINC001594018423 957055257 /nfs/dbraw/zinc/05/52/57/957055257.db2.gz DPYBKRJTESHXCJ-UHFFFAOYSA-N -1 0 317.319 -0.147 20 0 DBADRM C[C@H]1[C@@H](CO)CCN1C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589262977 957057580 /nfs/dbraw/zinc/05/75/80/957057580.db2.gz WEOVMZDVOYLHMA-VHSXEESVSA-N -1 0 319.379 -0.505 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001594018603 957058663 /nfs/dbraw/zinc/05/86/63/957058663.db2.gz USWKTOKEEWJKAK-UWVGGRQHSA-N -1 0 302.327 -0.913 20 0 DBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594018636 957059425 /nfs/dbraw/zinc/05/94/25/957059425.db2.gz WYOBERIYLUQRTH-BJDJZHNGSA-N -1 0 316.354 -0.031 20 0 DBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC001594018734 957061514 /nfs/dbraw/zinc/06/15/14/957061514.db2.gz MLNZDSABSGTETN-GHMZBOCLSA-N -1 0 301.339 -0.276 20 0 DBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC001594018739 957061632 /nfs/dbraw/zinc/06/16/32/957061632.db2.gz MLNZDSABSGTETN-WDEREUQCSA-N -1 0 301.339 -0.276 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001589263579 957068836 /nfs/dbraw/zinc/06/88/36/957068836.db2.gz RTNRLCVNSJHZLK-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001589263546 957069061 /nfs/dbraw/zinc/06/90/61/957069061.db2.gz QZABFNNYQVHCMX-LPEHRKFASA-N -1 0 311.338 -0.907 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CCO1 ZINC001589265446 957075643 /nfs/dbraw/zinc/07/56/43/957075643.db2.gz GOXNSBXNRHHGLO-UTLUCORTSA-N -1 0 305.352 -0.488 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC001594736741 957078445 /nfs/dbraw/zinc/07/84/45/957078445.db2.gz KAVDUWKNDIVZTL-QWRGUYRKSA-N -1 0 320.349 -0.363 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCN(C(=O)C2CC2)CC1)C(=O)[O-] ZINC000020397688 957142564 /nfs/dbraw/zinc/14/25/64/957142564.db2.gz GYOGMXUWTKEUOU-UHFFFAOYSA-N -1 0 318.395 -0.019 20 0 DBADRM Cn1cc(CNc2ccc(S(N)(=O)=O)cc2C(=O)[O-])nn1 ZINC000389808210 972248170 /nfs/dbraw/zinc/24/81/70/972248170.db2.gz AZTOCIPRKRBNSY-UHFFFAOYSA-N -1 0 311.323 -0.227 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)COc1ccc(F)cc1F ZINC000035383585 957206473 /nfs/dbraw/zinc/20/64/73/957206473.db2.gz IOJKMZBGPWOBML-UHFFFAOYSA-N -1 0 302.233 -0.339 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)CCNC(=O)c1ccsc1 ZINC000035384111 957207214 /nfs/dbraw/zinc/20/72/14/957207214.db2.gz XMVMLBCZSAXMOW-UHFFFAOYSA-N -1 0 313.335 -0.815 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCCn2ccnc2)cn1 ZINC000035651777 957215439 /nfs/dbraw/zinc/21/54/39/957215439.db2.gz NZFQWWYDEZNWRW-UHFFFAOYSA-N -1 0 313.339 -0.467 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC(CO)CC2)cn1 ZINC000035651781 957215710 /nfs/dbraw/zinc/21/57/10/957215710.db2.gz JKBYNLBYPBIYIF-UHFFFAOYSA-N -1 0 303.340 -0.639 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)s1 ZINC000036967353 957248223 /nfs/dbraw/zinc/24/82/23/957248223.db2.gz STTGREWMTRZLBO-XCBNKYQSSA-N -1 0 300.336 -0.263 20 0 DBADRM CNC(=O)NC(=O)CSc1[nH]c(=O)nc(C)c1C(=O)[O-] ZINC000036970685 957251222 /nfs/dbraw/zinc/25/12/22/957251222.db2.gz SBDFEUOXGKAYJA-UHFFFAOYSA-N -1 0 300.296 -0.676 20 0 DBADRM NC(=O)COc1ccc(NS(=O)(=O)CCC(=O)[O-])cc1 ZINC000037041813 957259866 /nfs/dbraw/zinc/25/98/66/957259866.db2.gz OEYMOHWFBYMACI-UHFFFAOYSA-N -1 0 302.308 -0.233 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000037226213 957267083 /nfs/dbraw/zinc/26/70/83/957267083.db2.gz ADHLHNQLWGDFTC-SSDOTTSWSA-N -1 0 321.307 -0.593 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CNC(=O)c1cccc(Cl)c1 ZINC000037414274 957280125 /nfs/dbraw/zinc/28/01/25/957280125.db2.gz IAVGZEJJJGFBCA-VIFPVBQESA-N -1 0 300.698 -0.369 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CCNC(=O)c1cccs1)C(=O)[O-] ZINC000037432427 957288283 /nfs/dbraw/zinc/28/82/83/957288283.db2.gz IJTLYXUTMSFXDJ-XCBNKYQSSA-N -1 0 300.336 -0.182 20 0 DBADRM CN(CC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C(=O)c1cccs1 ZINC000037449289 957291333 /nfs/dbraw/zinc/29/13/33/957291333.db2.gz NARKAKBGCIULLT-RKDXNWHRSA-N -1 0 312.347 -0.134 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)Cn1ccc(C(F)(F)F)n1 ZINC000037449157 957291467 /nfs/dbraw/zinc/29/14/67/957291467.db2.gz URDJOGWFEKPJAZ-RNFRBKRXSA-N -1 0 307.228 -0.052 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)Cn1cc(Br)ccc1=O ZINC000037451627 957297005 /nfs/dbraw/zinc/29/70/05/957297005.db2.gz MORCNGLTEOSQFT-SSDOTTSWSA-N -1 0 319.111 -0.828 20 0 DBADRM CC(C)NC(=O)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037656768 957318734 /nfs/dbraw/zinc/31/87/34/957318734.db2.gz LZZRZCWWHMVNHY-UHFFFAOYSA-N -1 0 307.372 -0.858 20 0 DBADRM CCCNC(=O)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037656763 957318742 /nfs/dbraw/zinc/31/87/42/957318742.db2.gz QFTLVNBUDFUTKM-UHFFFAOYSA-N -1 0 307.372 -0.856 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCC(CO)CC2)CC1 ZINC000037656313 957318786 /nfs/dbraw/zinc/31/87/86/957318786.db2.gz OVTYUHAQADUTDN-UHFFFAOYSA-N -1 0 306.384 -0.268 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000037739593 957324984 /nfs/dbraw/zinc/32/49/84/957324984.db2.gz KPTHKYWUZJQVEU-UHFFFAOYSA-N -1 0 313.378 -0.231 20 0 DBADRM C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037789773 957327328 /nfs/dbraw/zinc/32/73/28/957327328.db2.gz COFMVFGBJKPYCS-ZETCQYMHSA-N -1 0 316.339 -0.603 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N(CCO)CCO)ccc1F ZINC000037838776 957334274 /nfs/dbraw/zinc/33/42/74/957334274.db2.gz YIGLNRSDEVYWFR-UHFFFAOYSA-N -1 0 307.299 -0.501 20 0 DBADRM CCN(CCC(=O)[O-])CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000038024474 957347385 /nfs/dbraw/zinc/34/73/85/957347385.db2.gz NNSOSJJGHSJGDE-NSHDSACASA-N -1 0 320.411 -0.181 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)o1 ZINC000038082929 957356149 /nfs/dbraw/zinc/35/61/49/957356149.db2.gz TWVZMXZAPFUIEO-ZETCQYMHSA-N -1 0 323.348 -0.309 20 0 DBADRM O=C(C[C@H]1CCS(=O)(=O)C1)N[C@]1(C(=O)[O-])CCSC1 ZINC000043511079 957434553 /nfs/dbraw/zinc/43/45/53/957434553.db2.gz XCIPOHJSPNGTQL-LDYMZIIASA-N -1 0 307.393 -0.112 20 0 DBADRM CN(C)C(=O)CCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000390127038 972266459 /nfs/dbraw/zinc/26/64/59/972266459.db2.gz ZQAQXRNUFAYQPJ-UHFFFAOYSA-N -1 0 321.399 -0.514 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC000390164196 972267271 /nfs/dbraw/zinc/26/72/71/972267271.db2.gz MPWCYIIXSXBHSC-MRVPVSSYSA-N -1 0 322.325 -0.850 20 0 DBADRM NS(=O)(=O)c1ccc(N2CCNC(=O)CC2)c(C(=O)[O-])c1 ZINC000062101681 957599915 /nfs/dbraw/zinc/59/99/15/957599915.db2.gz VJILQFFHBHPXJE-UHFFFAOYSA-N -1 0 313.335 -0.642 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC000069145388 957649637 /nfs/dbraw/zinc/64/96/37/957649637.db2.gz VPNIYADJTIGBSR-OPRDCNLKSA-N -1 0 304.368 -0.074 20 0 DBADRM CC(C)(C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])S(C)(=O)=O ZINC000070127700 957661256 /nfs/dbraw/zinc/66/12/56/957661256.db2.gz HAVACKCUBFNSDB-MRVPVSSYSA-N -1 0 303.340 -0.655 20 0 DBADRM COC(=O)CN(C(C)C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000070446531 957672829 /nfs/dbraw/zinc/67/28/29/957672829.db2.gz IKLJMBHOBPZADR-UHFFFAOYSA-N -1 0 319.339 -0.012 20 0 DBADRM COCCc1nc(CN2CCO[C@@](COC)(C(=O)[O-])C2)no1 ZINC001594022437 957673235 /nfs/dbraw/zinc/67/32/35/957673235.db2.gz DNUYODRDAZCAIY-ZDUSSCGKSA-N -1 0 315.326 -0.440 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)nn1 ZINC001574738848 957682789 /nfs/dbraw/zinc/68/27/89/957682789.db2.gz YQGKVHRDOOPFHN-SNVBAGLBSA-N -1 0 316.321 -0.234 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)nn1 ZINC001574742812 957689523 /nfs/dbraw/zinc/68/95/23/957689523.db2.gz BZCMLZHLGBQWIN-QMMMGPOBSA-N -1 0 309.282 -0.924 20 0 DBADRM COCCS(=O)(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594023912 957689790 /nfs/dbraw/zinc/68/97/90/957689790.db2.gz MOYGDNKAGNCZEE-VIFPVBQESA-N -1 0 308.356 -0.982 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCC(=O)NCC2CC2)c1=O ZINC001574744858 957698821 /nfs/dbraw/zinc/69/88/21/957698821.db2.gz BGDMMOLLVFNOJP-UHFFFAOYSA-N -1 0 307.306 -0.811 20 0 DBADRM COCCn1c(CO)nnc1N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001594024846 957700360 /nfs/dbraw/zinc/70/03/60/957700360.db2.gz YAZVCTPMSBOYAV-CYBMUJFWSA-N -1 0 314.342 -0.656 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cn1 ZINC001594024922 957702421 /nfs/dbraw/zinc/70/24/21/957702421.db2.gz BFOQWMBJOGMNAD-JTQLQIEISA-N -1 0 310.310 -0.456 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1=O ZINC001574745243 957703310 /nfs/dbraw/zinc/70/33/10/957703310.db2.gz LEKYLNKTFWLDRI-UFGOTCBOSA-N -1 0 306.318 -0.082 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC001594025112 957706259 /nfs/dbraw/zinc/70/62/59/957706259.db2.gz HJHBKDRDTLZSRY-VIFPVBQESA-N -1 0 310.310 -0.456 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)[C@H](C(=O)[O-])C1CC1)C2 ZINC001594025225 957709614 /nfs/dbraw/zinc/70/96/14/957709614.db2.gz GVQAPTTYOXENJC-GFCCVEGCSA-N -1 0 308.338 -0.080 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(C)nn1 ZINC001594276167 957718967 /nfs/dbraw/zinc/71/89/67/957718967.db2.gz RTUGIJZWUAAYRS-JTQLQIEISA-N -1 0 313.335 -0.583 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001594027861 957724755 /nfs/dbraw/zinc/72/47/55/957724755.db2.gz DTXLLCSMQCQCCU-GHMZBOCLSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H](c2nnc[nH]2)C1 ZINC001574753140 957727112 /nfs/dbraw/zinc/72/71/12/957727112.db2.gz ZQNXKYJFLIQJHE-BDAKNGLRSA-N -1 0 315.355 -0.612 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC[C@H](c2nnc[nH]2)C1 ZINC001574753141 957727526 /nfs/dbraw/zinc/72/75/26/957727526.db2.gz ZQNXKYJFLIQJHE-IUCAKERBSA-N -1 0 315.355 -0.612 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)nn1C ZINC001594279727 957733365 /nfs/dbraw/zinc/73/33/65/957733365.db2.gz NDVWRKFEQVDPJQ-JTQLQIEISA-N -1 0 308.338 -0.076 20 0 DBADRM COCc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001594029071 957740587 /nfs/dbraw/zinc/74/05/87/957740587.db2.gz JSPIZICIUAXUHV-CQSZACIVSA-N -1 0 310.306 -0.277 20 0 DBADRM COCc1ccccc1S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC001594029664 957751507 /nfs/dbraw/zinc/75/15/07/957751507.db2.gz FJORBZPGKPUNHD-LBPRGKRZSA-N -1 0 303.336 -0.053 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCc1nnc[nH]1 ZINC000080582837 957765288 /nfs/dbraw/zinc/76/52/88/957765288.db2.gz REDBOWYJSBQRPO-UHFFFAOYSA-N -1 0 300.296 -0.075 20 0 DBADRM COCc1nccc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001594032449 957771665 /nfs/dbraw/zinc/77/16/65/957771665.db2.gz DZCMJJDYTUHKFU-SECBINFHSA-N -1 0 322.321 -0.115 20 0 DBADRM CON(C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)[C@H](C)C(=O)[O-] ZINC001594032930 957777074 /nfs/dbraw/zinc/77/70/74/957777074.db2.gz BIBZZUJQNRDZIZ-SSDOTTSWSA-N -1 0 319.339 -0.258 20 0 DBADRM COC[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000081043387 957777991 /nfs/dbraw/zinc/77/79/91/957777991.db2.gz RMFYTGNWFVYBBR-JTQLQIEISA-N -1 0 306.384 -0.004 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)CC[C@@H]1CCOC1)C2 ZINC001574777753 957777987 /nfs/dbraw/zinc/77/79/87/957777987.db2.gz QGKSQDBDKUGNBA-GVXVVHGQSA-N -1 0 319.379 -0.224 20 0 DBADRM CON(C(=O)c1cc(S(N)(=O)=O)cn1C)[C@H](C)C(=O)[O-] ZINC001594038083 957833691 /nfs/dbraw/zinc/83/36/91/957833691.db2.gz BGLDIIYNTTXHKH-ZCFIWIBFSA-N -1 0 305.312 -0.851 20 0 DBADRM CON(C(=O)c1cccc(CS(N)(=O)=O)c1)[C@H](C)C(=O)[O-] ZINC001594038981 957844106 /nfs/dbraw/zinc/84/41/06/957844106.db2.gz IZZUGCHSAZVRAT-MRVPVSSYSA-N -1 0 316.335 -0.048 20 0 DBADRM CON(C(=O)c1ccc(S(N)(=O)=O)cc1F)[C@@H](C)C(=O)[O-] ZINC001594039303 957847805 /nfs/dbraw/zinc/84/78/05/957847805.db2.gz MBCCAAAIQIOIGY-LURJTMIESA-N -1 0 320.298 -0.050 20 0 DBADRM CON(C)C(=O)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001594041017 957876083 /nfs/dbraw/zinc/87/60/83/957876083.db2.gz VVCPHEAAVDAQIK-UHFFFAOYSA-N -1 0 323.305 -0.612 20 0 DBADRM CON(C)C(=O)CNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001594042452 957887660 /nfs/dbraw/zinc/88/76/60/957887660.db2.gz SXUOESPJWMDBSL-UHFFFAOYSA-N -1 0 303.315 -0.813 20 0 DBADRM O=C([O-])c1cnc(C(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)cn1 ZINC001574818005 957892604 /nfs/dbraw/zinc/89/26/04/957892604.db2.gz AVGYPYLYSYAOHL-SECBINFHSA-N -1 0 304.306 -0.085 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)cn1 ZINC001574819821 957903488 /nfs/dbraw/zinc/90/34/88/957903488.db2.gz FXAKHADCNQVAFV-GHMZBOCLSA-N -1 0 320.305 -0.706 20 0 DBADRM CO[C@H]1C[C@H](NC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001594045687 957917368 /nfs/dbraw/zinc/91/73/68/957917368.db2.gz ODONRWRNGYYBCO-DCAQKATOSA-N -1 0 313.354 -0.071 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)ncn1 ZINC001594303497 957931824 /nfs/dbraw/zinc/93/18/24/957931824.db2.gz UEVUWEXTRKHUFZ-AWEZNQCLSA-N -1 0 306.322 -0.276 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)ncn1 ZINC001594303498 957932425 /nfs/dbraw/zinc/93/24/25/957932425.db2.gz UEVUWEXTRKHUFZ-CQSZACIVSA-N -1 0 306.322 -0.276 20 0 DBADRM Cc1cc(CN2CCN(C(=O)[C@@H]3CC(C(=O)[O-])=NO3)CC2)no1 ZINC001594303496 957932737 /nfs/dbraw/zinc/93/27/37/957932737.db2.gz UBZUIJMBQVZBQB-LBPRGKRZSA-N -1 0 322.321 -0.143 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)NC1CCC2(CC1)NC(=O)NC2=O ZINC001574827532 957948715 /nfs/dbraw/zinc/94/87/15/957948715.db2.gz QEJXYACQBWYCKZ-DTWCESSGSA-N -1 0 324.337 -0.330 20 0 DBADRM COc1cc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)nn1C ZINC001594050959 957990549 /nfs/dbraw/zinc/99/05/49/957990549.db2.gz UKYSXGRQWHSPIN-SECBINFHSA-N -1 0 324.337 -0.376 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])cn(C)c1=O ZINC001594313600 958051089 /nfs/dbraw/zinc/05/10/89/958051089.db2.gz NOVNHDDEJJDALH-SECBINFHSA-N -1 0 309.322 -0.189 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCOCCOCC(=O)[O-])no1 ZINC001594314237 958055854 /nfs/dbraw/zinc/05/58/54/958055854.db2.gz DAZLACPPQAYSIC-UHFFFAOYSA-N -1 0 315.282 -0.844 20 0 DBADRM Cc1cc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)[nH]c(=O)n1 ZINC001594315740 958061984 /nfs/dbraw/zinc/06/19/84/958061984.db2.gz BTAWGXIEKNLKPB-QMMMGPOBSA-N -1 0 308.294 -0.248 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H](CO)Cc1ccccc1 ZINC000088772522 958066694 /nfs/dbraw/zinc/06/66/94/958066694.db2.gz BCIBXOHBYRQMQL-GFCCVEGCSA-N -1 0 316.379 -0.169 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@](O)(C2CC2)C1)C(=O)[O-] ZINC001346513469 958069951 /nfs/dbraw/zinc/06/99/51/958069951.db2.gz AIPDPFDDFFCZKA-XHDPSFHLSA-N -1 0 312.366 -0.167 20 0 DBADRM Cc1cc(NC(=O)CN(C)[C@H]2CCN(CC(=O)[O-])C2=O)no1 ZINC001594317112 958077166 /nfs/dbraw/zinc/07/71/66/958077166.db2.gz MXOIHXNGFKUSSJ-VIFPVBQESA-N -1 0 310.310 -0.461 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCN1CC(F)F)C(=O)[O-] ZINC001348306932 958081217 /nfs/dbraw/zinc/08/12/17/958081217.db2.gz IIDPTWVCRXRZQG-IUCAKERBSA-N -1 0 321.324 -0.331 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H]1CNC(=O)C1)C(=O)[O-] ZINC001348945117 958087418 /nfs/dbraw/zinc/08/74/18/958087418.db2.gz VREUAHXMSJCWGA-UWVGGRQHSA-N -1 0 313.354 -0.898 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC000089754500 958088994 /nfs/dbraw/zinc/08/89/94/958088994.db2.gz HUNOBDZAWWTUFQ-SECBINFHSA-N -1 0 312.303 -0.532 20 0 DBADRM C[C@@H](CCO)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001350313124 958103820 /nfs/dbraw/zinc/10/38/20/958103820.db2.gz LBWPZSOZHRSZII-QMMMGPOBSA-N -1 0 312.326 -0.472 20 0 DBADRM COc1cc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)nn1C ZINC001594063110 958116083 /nfs/dbraw/zinc/11/60/83/958116083.db2.gz WNZVTXFJOQKRJZ-QMMMGPOBSA-N -1 0 310.310 -0.310 20 0 DBADRM CC(C)(C)NC(=O)NC(=O)CN1CCO[C@H](CC(=O)[O-])C1 ZINC000091296857 958135906 /nfs/dbraw/zinc/13/59/06/958135906.db2.gz LIDZPUPVCWZKEM-SECBINFHSA-N -1 0 301.343 -0.214 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC000091298114 958136392 /nfs/dbraw/zinc/13/63/92/958136392.db2.gz DDPLRSVZEQWSPJ-NXEZZACHSA-N -1 0 320.367 -0.551 20 0 DBADRM Cc1nn(C)c(C)c1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000092325825 958162600 /nfs/dbraw/zinc/16/26/00/958162600.db2.gz FUAFXAUAQTVENW-UHFFFAOYSA-N -1 0 313.339 -0.063 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001356439312 958175333 /nfs/dbraw/zinc/17/53/33/958175333.db2.gz JGVOIRRIPBPCGI-DZHLUBAWSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000092917554 958182928 /nfs/dbraw/zinc/18/29/28/958182928.db2.gz VATYNEYAGDHXPJ-KOLCDFICSA-N -1 0 318.395 -0.020 20 0 DBADRM COc1ccc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)nn1 ZINC001594077368 958227589 /nfs/dbraw/zinc/22/75/89/958227589.db2.gz NVNSQGNBZDWFFY-SNVBAGLBSA-N -1 0 322.321 -0.319 20 0 DBADRM CCN1C[C@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1=O ZINC000391457255 972338306 /nfs/dbraw/zinc/33/83/06/972338306.db2.gz FPURRFYCFCEIDC-SSDOTTSWSA-N -1 0 301.324 -0.388 20 0 DBADRM CCN1C[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1=O ZINC000391457256 972338339 /nfs/dbraw/zinc/33/83/39/972338339.db2.gz FPURRFYCFCEIDC-ZETCQYMHSA-N -1 0 301.324 -0.388 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cnc3nccn3c1)C2 ZINC001550345321 958289225 /nfs/dbraw/zinc/28/92/25/958289225.db2.gz JUUDZLGVUJFVND-HZMBPMFUSA-N -1 0 302.290 -0.098 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1C[C@H]3COC[C@@]3(C(=O)[O-])C1)CC2 ZINC001550347406 958293922 /nfs/dbraw/zinc/29/39/22/958293922.db2.gz ZHSJADCGMOGHMM-FTGAXOIBSA-N -1 0 320.349 -0.520 20 0 DBADRM CCc1nnc(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)[nH]1 ZINC001552398052 958310160 /nfs/dbraw/zinc/31/01/60/958310160.db2.gz IAQORIPALJILFK-SDBXPKJASA-N -1 0 309.326 -0.390 20 0 DBADRM C[C@H](CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC001552403154 958314551 /nfs/dbraw/zinc/31/45/51/958314551.db2.gz MGULVKOKYPCORG-PTRXPTGYSA-N -1 0 320.367 -0.838 20 0 DBADRM Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(=O)[nH]1 ZINC001594344369 958316412 /nfs/dbraw/zinc/31/64/12/958316412.db2.gz YNOYHGJQVIWCBQ-SECBINFHSA-N -1 0 314.319 -0.581 20 0 DBADRM CCN1C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1=O ZINC000391482880 972340356 /nfs/dbraw/zinc/34/03/56/972340356.db2.gz VGAIAMOETLBRFN-SSDOTTSWSA-N -1 0 302.308 -0.123 20 0 DBADRM COc1ccc(CNC(=O)C(=O)NCCC(=O)[O-])c(OC)c1 ZINC001594094718 958392025 /nfs/dbraw/zinc/39/20/25/958392025.db2.gz UUZGSZPUBKTJPT-UHFFFAOYSA-N -1 0 310.306 -0.089 20 0 DBADRM Cc1nccn1CC(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485385296 1013178762 /nfs/dbraw/zinc/17/87/62/1013178762.db2.gz FWIQNBIXOKKDJC-VIFPVBQESA-N -1 0 307.358 -0.348 20 0 DBADRM COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c(C)n1 ZINC001594101805 958445328 /nfs/dbraw/zinc/44/53/28/958445328.db2.gz SUEBYTJJBBQYPN-CYBMUJFWSA-N -1 0 311.294 -0.711 20 0 DBADRM CN1C(=O)C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O ZINC000116073008 958458775 /nfs/dbraw/zinc/45/87/75/958458775.db2.gz DKCVBLOOHQSKHD-YFKPBYRVSA-N -1 0 302.264 -0.987 20 0 DBADRM CCOCCCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000125911600 958573145 /nfs/dbraw/zinc/57/31/45/958573145.db2.gz LGQVTKHLFNEDNO-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM CCCNC(=O)[C@@H](C)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000126330846 958587555 /nfs/dbraw/zinc/58/75/55/958587555.db2.gz RIZHJRLLHYNSGO-ZJUUUORDSA-N -1 0 306.384 -0.525 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000129383925 958701867 /nfs/dbraw/zinc/70/18/67/958701867.db2.gz VBYKKPIPWPGOJY-NXEZZACHSA-N -1 0 305.352 -0.487 20 0 DBADRM CCCCNC(=O)NC(=O)CN1CCOC[C@H]1CC(=O)[O-] ZINC000130040826 958726520 /nfs/dbraw/zinc/72/65/20/958726520.db2.gz OOGJZAOHDLLWTC-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM CCCCNC(=O)NC(=O)CN1CCOC[C@@H]1CC(=O)[O-] ZINC000130040571 958728258 /nfs/dbraw/zinc/72/82/58/958728258.db2.gz OOGJZAOHDLLWTC-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM COC(=O)N[C@H]1CCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000133935525 958828201 /nfs/dbraw/zinc/82/82/01/958828201.db2.gz PMGFGRJGDUBJGC-QMMMGPOBSA-N -1 0 309.344 -0.932 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N[C@H]1CCCCNC1=O ZINC000134681354 958850349 /nfs/dbraw/zinc/85/03/49/958850349.db2.gz DCGDNTYDJKXZBI-LURJTMIESA-N -1 0 319.364 -0.212 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccccc1C(=O)OC)C(=O)[O-] ZINC000158590670 959095899 /nfs/dbraw/zinc/09/58/99/959095899.db2.gz FYGWAYBLODOAAU-SECBINFHSA-N -1 0 317.319 -0.149 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000160031854 959136318 /nfs/dbraw/zinc/13/63/18/959136318.db2.gz ABJSKNOGUYFXBK-UHFFFAOYSA-N -1 0 313.335 -0.280 20 0 DBADRM C[C@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)c1ncn(C)n1 ZINC000392107786 972409079 /nfs/dbraw/zinc/40/90/79/972409079.db2.gz RWRGVKLWZAWWGM-ZETCQYMHSA-N -1 0 308.302 -0.835 20 0 DBADRM CC(C)(C)OCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000164660609 959259905 /nfs/dbraw/zinc/25/99/05/959259905.db2.gz OZJNKHUXOYEFHE-SECBINFHSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)(C)OCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000164660516 959260233 /nfs/dbraw/zinc/26/02/33/959260233.db2.gz OZJNKHUXOYEFHE-VIFPVBQESA-N -1 0 307.368 -0.098 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000167101724 959335438 /nfs/dbraw/zinc/33/54/38/959335438.db2.gz ZVXSLMPRSHJEMQ-BDAKNGLRSA-N -1 0 318.351 -0.506 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000167102047 959335878 /nfs/dbraw/zinc/33/58/78/959335878.db2.gz ZVXSLMPRSHJEMQ-DTWKUNHWSA-N -1 0 318.351 -0.506 20 0 DBADRM C[C@@H](C[S@](C)=O)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000168759297 959389114 /nfs/dbraw/zinc/38/91/14/959389114.db2.gz RTLJXWFECACTDB-ULCDLSAGSA-N -1 0 309.369 -0.987 20 0 DBADRM C[C@H](C[S@](C)=O)NS(=O)(=O)c1scnc1C(=O)[O-] ZINC000168779346 959392253 /nfs/dbraw/zinc/39/22/53/959392253.db2.gz KIHRDHFSAFXJIP-WXQGDBPDSA-N -1 0 312.394 -0.113 20 0 DBADRM CC(C)CNC(=O)NC(=O)CN1CCSC[C@H]1C(=O)[O-] ZINC000215244104 959746728 /nfs/dbraw/zinc/74/67/28/959746728.db2.gz QVZPFGJQRQWNQT-VIFPVBQESA-N -1 0 303.384 -0.030 20 0 DBADRM CC(C)CNC(=O)NC(=O)CN1CCSC[C@@H]1C(=O)[O-] ZINC000215244059 959746799 /nfs/dbraw/zinc/74/67/99/959746799.db2.gz QVZPFGJQRQWNQT-SECBINFHSA-N -1 0 303.384 -0.030 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000221234507 959804496 /nfs/dbraw/zinc/80/44/96/959804496.db2.gz VNMWUWIMMJJTOP-RQJHMYQMSA-N -1 0 301.324 -0.997 20 0 DBADRM C#CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@@H]1CCS(=O)(=O)C1 ZINC000222594518 959821546 /nfs/dbraw/zinc/82/15/46/959821546.db2.gz MTAFTQHBYSOXDA-MXWKQRLJSA-N -1 0 315.347 -0.733 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)NC[C@@]2(O)CCOC2)c1 ZINC000227114713 959921289 /nfs/dbraw/zinc/92/12/89/959921289.db2.gz POHUTYCKABEIRZ-LBPRGKRZSA-N -1 0 301.320 -0.186 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCCN(CCO)CC2)c[nH]1 ZINC000227248712 959937830 /nfs/dbraw/zinc/93/78/30/959937830.db2.gz BRSLBDKEBPKLTB-UHFFFAOYSA-N -1 0 317.367 -0.598 20 0 DBADRM CO[C@@H](C)CCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000228496515 960016918 /nfs/dbraw/zinc/01/69/18/960016918.db2.gz KNPOXMOHVNBLEH-VHSXEESVSA-N -1 0 307.368 -0.098 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(F)cn1 ZINC000228566782 960026996 /nfs/dbraw/zinc/02/69/96/960026996.db2.gz SKFXKULGGFELNB-SECBINFHSA-N -1 0 316.310 -0.065 20 0 DBADRM CCc1nnc(CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)[nH]1 ZINC000392348615 972475042 /nfs/dbraw/zinc/47/50/42/972475042.db2.gz ITBRQUMCSGKCOD-UHFFFAOYSA-N -1 0 313.339 -0.118 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCC(=O)N2CCCC2)o1 ZINC000228792118 960042749 /nfs/dbraw/zinc/04/27/49/960042749.db2.gz CKSVDANYEXCODW-UHFFFAOYSA-N -1 0 302.308 -0.122 20 0 DBADRM C[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)NC(C)(C)C ZINC000228926856 960047469 /nfs/dbraw/zinc/04/74/69/960047469.db2.gz DKGWXVYTVRXNGL-LURJTMIESA-N -1 0 318.355 -0.311 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000229032169 960053928 /nfs/dbraw/zinc/05/39/28/960053928.db2.gz ZSHWTTKXTNUPBG-VIFPVBQESA-N -1 0 303.336 -0.021 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000229032449 960054431 /nfs/dbraw/zinc/05/44/31/960054431.db2.gz PUNXKTFDANPZPJ-ZETCQYMHSA-N -1 0 307.299 -0.191 20 0 DBADRM C[C@H](CCNC(=O)NCCn1cc(C(=O)[O-])nn1)[S@@](C)=O ZINC000229851483 960097452 /nfs/dbraw/zinc/09/74/52/960097452.db2.gz CZAZMMLWSYIHBM-IJSAXESFSA-N -1 0 317.371 -0.567 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C[C@@H](CO)O1 ZINC000229951010 960101886 /nfs/dbraw/zinc/10/18/86/960101886.db2.gz NTQODTPAFAZCLB-YUMQZZPRSA-N -1 0 304.324 -0.517 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)NCCn2cc(C(=O)[O-])nn2)[nH]1 ZINC000392402191 972480199 /nfs/dbraw/zinc/48/01/99/972480199.db2.gz SGIBCQWKCDDAAL-LURJTMIESA-N -1 0 308.302 -0.537 20 0 DBADRM Cc1nnc([C@H](C)NS(=O)(=O)c2cnn(CC(=O)[O-])c2)[nH]1 ZINC000392407598 972482028 /nfs/dbraw/zinc/48/20/28/972482028.db2.gz BIOLDULPPNQPEJ-LURJTMIESA-N -1 0 314.327 -0.566 20 0 DBADRM CNC(=O)C(C)(C)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000230387092 960147521 /nfs/dbraw/zinc/14/75/21/960147521.db2.gz PTKOORHCVPFRFZ-UHFFFAOYSA-N -1 0 304.328 -0.842 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000231024661 960178161 /nfs/dbraw/zinc/17/81/61/960178161.db2.gz WQCNYYGVBZLLAG-VHSXEESVSA-N -1 0 306.384 -0.115 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000231024663 960178522 /nfs/dbraw/zinc/17/85/22/960178522.db2.gz WQCNYYGVBZLLAG-ZJUUUORDSA-N -1 0 306.384 -0.115 20 0 DBADRM CCC(C)(C)NC(=O)C[S@@](=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000232826115 960299126 /nfs/dbraw/zinc/29/91/26/960299126.db2.gz SOJBBZHZVBXQNB-LXGOIASLSA-N -1 0 306.384 -0.371 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)Cc1ccn(C(C)C)n1)C(=O)[O-] ZINC000232826900 960299256 /nfs/dbraw/zinc/29/92/56/960299256.db2.gz ARHIMENIUDIVTI-NSHDSACASA-N -1 0 317.367 -0.032 20 0 DBADRM CCC(C)(C)NC(=O)C[S@](=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000232826352 960299312 /nfs/dbraw/zinc/29/93/12/960299312.db2.gz SOJBBZHZVBXQNB-GWNMQOMSSA-N -1 0 306.384 -0.371 20 0 DBADRM CCS(=O)(=O)CCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000233804334 960327641 /nfs/dbraw/zinc/32/76/41/960327641.db2.gz VMPFCAXFWYFYPT-UHFFFAOYSA-N -1 0 322.383 -0.398 20 0 DBADRM CC[C@H](C)NC(=O)[C@@H](C)[S@@](=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000234013423 960336192 /nfs/dbraw/zinc/33/61/92/960336192.db2.gz ZOZHWSIZVXZDTA-WOCVVOTKSA-N -1 0 306.384 -0.372 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C[C@@H]1OC ZINC000234896714 960375045 /nfs/dbraw/zinc/37/50/45/960375045.db2.gz DNQGTGTUEWPTNO-AOOOYVTPSA-N -1 0 304.324 -0.253 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)[C@@H](C)C(=O)NC1CCCC1)C(=O)[O-] ZINC000235129968 960391116 /nfs/dbraw/zinc/39/11/16/960391116.db2.gz SIGDEBFKJXNMST-PZLHRIISSA-N -1 0 318.395 -0.228 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)CCS(C)(=O)=O ZINC000235365923 960424174 /nfs/dbraw/zinc/42/41/74/960424174.db2.gz CSBVIBHTGNZMKB-RKDXNWHRSA-N -1 0 313.397 -0.454 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)[C@H](C)C(=O)NC1CCCC1)C(=O)[O-] ZINC000235406581 960427201 /nfs/dbraw/zinc/42/72/01/960427201.db2.gz SIGDEBFKJXNMST-SPYUBVCZSA-N -1 0 318.395 -0.228 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@@](C)(C(N)=O)C2)c1C(=O)[O-] ZINC000235929882 960531515 /nfs/dbraw/zinc/53/15/15/960531515.db2.gz SKSUIVZEHQRKDO-LLVKDONJSA-N -1 0 316.339 -0.698 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(F)nc1 ZINC000236434007 960594431 /nfs/dbraw/zinc/59/44/31/960594431.db2.gz XVXLKAMUSXXBQC-SECBINFHSA-N -1 0 316.310 -0.065 20 0 DBADRM CN1CCN(CC(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])CC1 ZINC001598616414 1017345397 /nfs/dbraw/zinc/34/53/97/1017345397.db2.gz SZTZFAQYHBWTPZ-ZDUSSCGKSA-N -1 0 313.398 -0.380 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC001571080361 960997260 /nfs/dbraw/zinc/99/72/60/960997260.db2.gz QTLAXKDVCNCQTG-SECBINFHSA-N -1 0 303.340 -0.253 20 0 DBADRM CC1=NO[C@@](C)(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1 ZINC001571084647 961035396 /nfs/dbraw/zinc/03/53/96/961035396.db2.gz FAFXIFSZMCPAPW-GZMMTYOYSA-N -1 0 304.324 -0.749 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001571086431 961070397 /nfs/dbraw/zinc/07/03/97/961070397.db2.gz NMQKPNFLCUHIKR-ZJUUUORDSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC001571091246 961098091 /nfs/dbraw/zinc/09/80/91/961098091.db2.gz CBYGQLHELTYFNA-AOOOYVTPSA-N -1 0 306.322 -0.232 20 0 DBADRM Cn1cnnc1COCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001571102170 961239875 /nfs/dbraw/zinc/23/98/75/961239875.db2.gz KOCOSUYPVCRGEB-WDEREUQCSA-N -1 0 308.338 -0.099 20 0 DBADRM Cn1cnnc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001571106917 961290837 /nfs/dbraw/zinc/29/08/37/961290837.db2.gz XATHYIUTXQMGIC-JTQLQIEISA-N -1 0 310.335 -0.211 20 0 DBADRM CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000252937822 961294879 /nfs/dbraw/zinc/29/48/79/961294879.db2.gz YLJWILQVIHUNJC-GHMZBOCLSA-N -1 0 317.367 -0.108 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2CC[C@H](O)CC2)cn1 ZINC000253145876 961312771 /nfs/dbraw/zinc/31/27/71/961312771.db2.gz ZWQRRGMEEQSBFN-KYZUINATSA-N -1 0 303.340 -0.451 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001571119089 961425219 /nfs/dbraw/zinc/42/52/19/961425219.db2.gz UMGYZKCHCZQULL-UHFFFAOYSA-N -1 0 313.335 -0.176 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001571123337 961467532 /nfs/dbraw/zinc/46/75/32/961467532.db2.gz PCVDPQUSHVXWQF-VHSXEESVSA-N -1 0 314.338 -0.327 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC001571133412 961588772 /nfs/dbraw/zinc/58/87/72/961588772.db2.gz NCZJGPFACZVDEX-NXEZZACHSA-N -1 0 317.363 -0.344 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1cnc2ccccc2c1=O)C(=O)[O-] ZINC000262273881 961611095 /nfs/dbraw/zinc/61/10/95/961611095.db2.gz JBPXXNHFJWXRDU-CQSZACIVSA-N -1 0 305.290 -0.652 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001485573944 1013278698 /nfs/dbraw/zinc/27/86/98/1013278698.db2.gz KGCHCLNXUHWQJQ-RKDXNWHRSA-N -1 0 324.385 -0.652 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-] ZINC000262554985 961770157 /nfs/dbraw/zinc/77/01/57/961770157.db2.gz WDSLWAYENPKOPR-LDYMZIIASA-N -1 0 311.342 -0.405 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001571159578 961909578 /nfs/dbraw/zinc/90/95/78/961909578.db2.gz JEVNSRTYYXTUIR-HLTSFMKQSA-N -1 0 323.309 -0.630 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cc(C(=O)[O-])nn2C)O1 ZINC001571164027 961963151 /nfs/dbraw/zinc/96/31/51/961963151.db2.gz ZSOVEADHOUOFQM-LDYMZIIASA-N -1 0 324.337 -0.516 20 0 DBADRM CN1CCN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1=O ZINC001598622027 1017352144 /nfs/dbraw/zinc/35/21/44/1017352144.db2.gz YJCFUGAEKSDZRZ-ZJUUUORDSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC001571166206 961999453 /nfs/dbraw/zinc/99/94/53/961999453.db2.gz UDPHFDIEUCZPIX-VHSXEESVSA-N -1 0 324.341 -0.966 20 0 DBADRM CC(C)C[C@H](OC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC001588863724 962020360 /nfs/dbraw/zinc/02/03/60/962020360.db2.gz ZERACNRLVLADCZ-ZJUUUORDSA-N -1 0 322.383 -0.056 20 0 DBADRM CN(CC(=O)N[C@@H](CF)C(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000263087616 962234866 /nfs/dbraw/zinc/23/48/66/962234866.db2.gz ZTZNENMFSGZQOL-JTQLQIEISA-N -1 0 318.326 -0.154 20 0 DBADRM CN(CC(=O)N[C@H](CF)C(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000263087617 962235182 /nfs/dbraw/zinc/23/51/82/962235182.db2.gz ZTZNENMFSGZQOL-SNVBAGLBSA-N -1 0 318.326 -0.154 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001598624112 1017355089 /nfs/dbraw/zinc/35/50/89/1017355089.db2.gz UMHKMWITFLZXBH-QWRGUYRKSA-N -1 0 317.411 -0.224 20 0 DBADRM Cc1nocc1C(=O)NCCOCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001485777906 1013365580 /nfs/dbraw/zinc/36/55/80/1013365580.db2.gz XCLASMODUYWMTD-UHFFFAOYSA-N -1 0 324.341 -0.315 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C[C@H](CO)O1 ZINC000299954879 962951504 /nfs/dbraw/zinc/95/15/04/962951504.db2.gz NTQODTPAFAZCLB-HTQZYQBOSA-N -1 0 304.324 -0.517 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@@H](C)[C@H](O)C2)c1C(=O)[O-] ZINC000300024569 962974001 /nfs/dbraw/zinc/97/40/01/962974001.db2.gz WTGXAQMDVOISMS-HTRCEHHLSA-N -1 0 303.340 -0.192 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)CC(=O)NC1CCCC1)C(=O)[O-] ZINC000300444684 963008080 /nfs/dbraw/zinc/00/80/80/963008080.db2.gz CKCCEHRDKWUJJK-FVINQWEUSA-N -1 0 304.368 -0.617 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)CC(=O)N1CCCCC1)C(=O)[O-] ZINC000300450288 963009823 /nfs/dbraw/zinc/00/98/23/963009823.db2.gz XXBUEYOIYPORHM-WVDJIFEKSA-N -1 0 304.368 -0.663 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598634964 1017360979 /nfs/dbraw/zinc/36/09/79/1017360979.db2.gz AXBXYECVECQAGR-BDAKNGLRSA-N -1 0 304.368 -0.315 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001598636682 1017361045 /nfs/dbraw/zinc/36/10/45/1017361045.db2.gz ZOLHSDJBYXKEDM-ZNSHCXBVSA-N -1 0 313.354 -0.215 20 0 DBADRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000311491793 963483263 /nfs/dbraw/zinc/48/32/63/963483263.db2.gz JUCLLDOXSGSWTM-RITPCOANSA-N -1 0 303.258 -0.057 20 0 DBADRM COC(=O)C(C)(C)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000312327849 963553811 /nfs/dbraw/zinc/55/38/11/963553811.db2.gz DEPYWRUTEHUQGT-UHFFFAOYSA-N -1 0 305.312 -0.415 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCC[C@@H]2CCO)CC1 ZINC000312343013 963554966 /nfs/dbraw/zinc/55/49/66/963554966.db2.gz GWUIAFDAUCPSGZ-LLVKDONJSA-N -1 0 306.384 -0.125 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000312354403 963556093 /nfs/dbraw/zinc/55/60/93/963556093.db2.gz INAWLHAQJUTMKW-LURJTMIESA-N -1 0 304.299 -0.063 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCCS(N)(=O)=O)C[C@H]1C(=O)[O-] ZINC000312526945 963571790 /nfs/dbraw/zinc/57/17/90/963571790.db2.gz JAONADAISQCTLJ-RKDXNWHRSA-N -1 0 307.372 -0.583 20 0 DBADRM C[C@H]1CN(C(=O)NCCCS(N)(=O)=O)CC[C@H]1C(=O)[O-] ZINC000312578333 963575333 /nfs/dbraw/zinc/57/53/33/963575333.db2.gz SZUGQMMKGULNHC-DTWKUNHWSA-N -1 0 307.372 -0.583 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)NCCCCS(N)(=O)=O)C1 ZINC000312631829 963579259 /nfs/dbraw/zinc/57/92/59/963579259.db2.gz MUNUDJYQFPWJCJ-NSHDSACASA-N -1 0 307.372 -0.439 20 0 DBADRM COC(=O)C[C@@H](C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000312702408 963586006 /nfs/dbraw/zinc/58/60/06/963586006.db2.gz BXKCOYOXHWMBKD-RXMQYKEDSA-N -1 0 305.312 -0.354 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(=O)OC ZINC000312772320 963591978 /nfs/dbraw/zinc/59/19/78/963591978.db2.gz NDDKRVSCTAAEJQ-MRVPVSSYSA-N -1 0 305.312 -0.802 20 0 DBADRM CCNC(=O)C(C)(C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000312807927 963595149 /nfs/dbraw/zinc/59/51/49/963595149.db2.gz AXFUAXHEXRRVKK-UHFFFAOYSA-N -1 0 304.328 -0.699 20 0 DBADRM C[C@](CO)(NC(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC000313507290 963652189 /nfs/dbraw/zinc/65/21/89/963652189.db2.gz LGADVFRJLBPERW-CYBMUJFWSA-N -1 0 315.347 -0.203 20 0 DBADRM C[C@](CO)(NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000313508399 963653643 /nfs/dbraw/zinc/65/36/43/963653643.db2.gz NKEZHICMBQOWDO-QUBYGPBYSA-N -1 0 312.244 -0.651 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])cc1 ZINC000313541746 963664975 /nfs/dbraw/zinc/66/49/75/963664975.db2.gz LMDDKHBDVHAAFE-LBPRGKRZSA-N -1 0 317.319 -0.413 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000313544247 963664985 /nfs/dbraw/zinc/66/49/85/963664985.db2.gz NIZMSNPIYPHKPI-JTQLQIEISA-N -1 0 322.270 -0.152 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000313542949 963665023 /nfs/dbraw/zinc/66/50/23/963665023.db2.gz MCFZMSOXEHHJTQ-LBPRGKRZSA-N -1 0 317.319 -0.428 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)N1CCC(O)(CO)CC1 ZINC000313636600 963671881 /nfs/dbraw/zinc/67/18/81/963671881.db2.gz VVHPNVCDLMZJEU-UHFFFAOYSA-N -1 0 321.376 -0.046 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000313939221 963693744 /nfs/dbraw/zinc/69/37/44/963693744.db2.gz OBLIEYYORNNRII-SNVBAGLBSA-N -1 0 317.363 -0.110 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC000314065161 963706883 /nfs/dbraw/zinc/70/68/83/963706883.db2.gz BCYALKTZRFCBGM-ZYHUDNBSSA-N -1 0 308.338 -0.220 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cc1C#N ZINC000314084142 963709740 /nfs/dbraw/zinc/70/97/40/963709740.db2.gz DXDNZKZAHGVLQL-NSHDSACASA-N -1 0 311.319 -0.264 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000314148974 963716898 /nfs/dbraw/zinc/71/68/98/963716898.db2.gz HDAADDLWXHYIJU-QMMMGPOBSA-N -1 0 321.326 -0.112 20 0 DBADRM Cc1n[nH]c(=O)c(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1C ZINC000314147227 963717270 /nfs/dbraw/zinc/71/72/70/963717270.db2.gz QMLSYRYAVRRRIZ-VIFPVBQESA-N -1 0 305.294 -0.464 20 0 DBADRM N#Cc1cncc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000314155503 963718246 /nfs/dbraw/zinc/71/82/46/963718246.db2.gz JGOXBEYYSXKEKB-SNVBAGLBSA-N -1 0 311.319 -0.183 20 0 DBADRM CC(C)S(=O)(=O)CCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000314221289 963727171 /nfs/dbraw/zinc/72/71/71/963727171.db2.gz UVXWNXKPJFJZLM-JTQLQIEISA-N -1 0 322.383 -0.305 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000314239460 963729625 /nfs/dbraw/zinc/72/96/25/963729625.db2.gz IFRXFYDDLFEMNJ-UHFFFAOYSA-N -1 0 321.211 -0.263 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000314354747 963744197 /nfs/dbraw/zinc/74/41/97/963744197.db2.gz WQPWNNQYHWKXND-MRVPVSSYSA-N -1 0 321.326 -0.112 20 0 DBADRM CO[C@@]1(CNS(=O)(=O)c2cc(C(=O)[O-])ccn2)CCOC1 ZINC000314483176 963759304 /nfs/dbraw/zinc/75/93/04/963759304.db2.gz PFBBFNDDTNZTCZ-GFCCVEGCSA-N -1 0 316.335 -0.136 20 0 DBADRM CNC(=O)[C@@H]1CN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])CCO1 ZINC001598638004 1017363485 /nfs/dbraw/zinc/36/34/85/1017363485.db2.gz SPJPMQREGLLOPB-QWRGUYRKSA-N -1 0 315.370 -0.951 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000314884572 963825017 /nfs/dbraw/zinc/82/50/17/963825017.db2.gz GDIWXVQGDFQBTF-SECBINFHSA-N -1 0 317.319 -0.495 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(-n2cncn2)nc1 ZINC000314912973 963828378 /nfs/dbraw/zinc/82/83/78/963828378.db2.gz MBKSPXQPQWGGLR-ZJUUUORDSA-N -1 0 303.278 -0.678 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598639681 1017364096 /nfs/dbraw/zinc/36/40/96/1017364096.db2.gz KGAFTFPRPRGGRO-AMIZOPFISA-N -1 0 312.326 -0.474 20 0 DBADRM CNC(=O)[C@@H]1CCCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001598639289 1017364148 /nfs/dbraw/zinc/36/41/48/1017364148.db2.gz OGWABIMIIUUVKQ-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CNC(=O)[C@H]1CN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])CCO1 ZINC001598638005 1017364171 /nfs/dbraw/zinc/36/41/71/1017364171.db2.gz SPJPMQREGLLOPB-WDEREUQCSA-N -1 0 315.370 -0.951 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC000315063697 963852968 /nfs/dbraw/zinc/85/29/68/963852968.db2.gz KWGFPSOBEPGNCJ-MXWKQRLJSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@H]1CN(C(=O)NCCCCS(N)(=O)=O)CC[C@H]1C(=O)[O-] ZINC000315281909 963873944 /nfs/dbraw/zinc/87/39/44/963873944.db2.gz VYCIIXNZHKDNDA-VHSXEESVSA-N -1 0 321.399 -0.193 20 0 DBADRM NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000315892970 963948388 /nfs/dbraw/zinc/94/83/88/963948388.db2.gz CCLGVOHFNHAIMC-ZCFIWIBFSA-N -1 0 303.296 -0.741 20 0 DBADRM O=C([O-])c1ccc(F)cc1S(=O)(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000316496329 964017913 /nfs/dbraw/zinc/01/79/13/964017913.db2.gz YTDPRIFEJDQSMT-XVKPBYJWSA-N -1 0 319.310 -0.502 20 0 DBADRM C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000316525019 964020580 /nfs/dbraw/zinc/02/05/80/964020580.db2.gz ZTCVONYYTADQDK-SNVBAGLBSA-N -1 0 310.358 -0.240 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)N2C[C@H](O)[C@H](CO)C2)cc1 ZINC000316706673 964045150 /nfs/dbraw/zinc/04/51/50/964045150.db2.gz QUOGRRCALZJJSI-STQMWFEESA-N -1 0 308.334 -0.078 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000316868154 964065514 /nfs/dbraw/zinc/06/55/14/964065514.db2.gz ZNPHXSATFAVFBT-SECBINFHSA-N -1 0 311.294 -0.559 20 0 DBADRM O=C([O-])c1cnc(N2CCN3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000316942030 964078202 /nfs/dbraw/zinc/07/82/02/964078202.db2.gz ZTXSSMJOLXVCLM-MRVPVSSYSA-N -1 0 307.266 -0.098 20 0 DBADRM CNC(=O)CCCC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001598640568 1017365114 /nfs/dbraw/zinc/36/51/14/1017365114.db2.gz JWFQZBXDMXFKHV-BDAKNGLRSA-N -1 0 300.311 -0.765 20 0 DBADRM CNC(=O)CN(CC(=O)NC)Cc1cc(C(=O)[O-])c(C)n1C ZINC001598643374 1017366591 /nfs/dbraw/zinc/36/65/91/1017366591.db2.gz ZMLWOFYROMHFOE-UHFFFAOYSA-N -1 0 310.354 -0.674 20 0 DBADRM CNC(=O)NCC(=O)NC[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001598651068 1017368052 /nfs/dbraw/zinc/36/80/52/1017368052.db2.gz HQZZQHVONUYQLC-ZETCQYMHSA-N -1 0 310.314 -0.980 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C1(CF)CCC1 ZINC001486037815 1013604340 /nfs/dbraw/zinc/60/43/40/1013604340.db2.gz VAJRKIZHLZYRBY-QMMMGPOBSA-N -1 0 301.322 -0.783 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C(C1CC1)C1CC1 ZINC001486051327 1013630537 /nfs/dbraw/zinc/63/05/37/1013630537.db2.gz XRZLIVGTZAVGOY-SNVBAGLBSA-N -1 0 309.370 -0.487 20 0 DBADRM CNC(=O)NC(=O)CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598652759 1017373076 /nfs/dbraw/zinc/37/30/76/1017373076.db2.gz VFZIOTLIOJWULC-QMMMGPOBSA-N -1 0 310.314 -0.931 20 0 DBADRM O=C(Cc1ccc(F)cc1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001486058150 1013639041 /nfs/dbraw/zinc/63/90/41/1013639041.db2.gz WKYMKCKBFVZSOB-LLVKDONJSA-N -1 0 323.328 -0.541 20 0 DBADRM O=C(Cc1ccc(F)cc1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001486058151 1013638097 /nfs/dbraw/zinc/63/80/97/1013638097.db2.gz WKYMKCKBFVZSOB-NSHDSACASA-N -1 0 323.328 -0.541 20 0 DBADRM COC(=O)[C@@H](CC1CC1)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001598696582 1017394288 /nfs/dbraw/zinc/39/42/88/1017394288.db2.gz FEFIZTZCYVZWLH-SECBINFHSA-N -1 0 308.356 -0.431 20 0 DBADRM COC(=O)C1CCC(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])CC1 ZINC001598786741 1017415991 /nfs/dbraw/zinc/41/59/91/1017415991.db2.gz DACSHVAAMCXKLQ-KWPJZBAWSA-N -1 0 323.367 -0.527 20 0 DBADRM Cc1ccc(CC(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)cn1 ZINC001486060944 1013644955 /nfs/dbraw/zinc/64/49/55/1013644955.db2.gz DRHDDKXGQCEQKB-NSHDSACASA-N -1 0 320.353 -0.977 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001598852975 1017446311 /nfs/dbraw/zinc/44/63/11/1017446311.db2.gz RPMWYRRHBZKVEH-NXEZZACHSA-N -1 0 322.383 -0.231 20 0 DBADRM COC[C@](C)(NC(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001599152087 1017531685 /nfs/dbraw/zinc/53/16/85/1017531685.db2.gz WWLASMPGDVVEMV-CABZTGNLSA-N -1 0 307.368 -0.193 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC001599167883 1017539102 /nfs/dbraw/zinc/53/91/02/1017539102.db2.gz VQGQYNFJMGIAHD-HTQZYQBOSA-N -1 0 310.372 -0.834 20 0 DBADRM CS[C@H](C)CNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001599783735 1017630941 /nfs/dbraw/zinc/63/09/41/1017630941.db2.gz PQAUMZXQRCNYMH-VGMNWLOBSA-N -1 0 304.368 -0.852 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)CC2CCOCC2)CC(CO)C1 ZINC001601722025 1017869485 /nfs/dbraw/zinc/86/94/85/1017869485.db2.gz KIRMSMCUYNGPMK-UHFFFAOYSA-N -1 0 307.368 -0.442 20 0 DBADRM C[C@@H](CN1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)CS(C)(=O)=O ZINC001604165163 1018308198 /nfs/dbraw/zinc/30/81/98/1018308198.db2.gz MJVHMXDJIJAHGW-JOYOIKCWSA-N -1 0 304.368 -0.028 20 0 DBADRM CCCc1cc(=O)n2[nH]c(NC(=O)COCC(=O)[O-])nc2n1 ZINC001596050031 1017112073 /nfs/dbraw/zinc/11/20/73/1017112073.db2.gz DNBMMSYEWRCRJK-UHFFFAOYSA-N -1 0 309.282 -0.590 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCCc1nc2c(s1)COCC2 ZINC001604432469 1018380899 /nfs/dbraw/zinc/38/08/99/1018380899.db2.gz QJWKURCMTHYFHT-SNVBAGLBSA-N -1 0 300.336 -0.026 20 0 DBADRM COCCN(C[C@@H](O)C(F)(F)F)C(=O)[C@@H](OC)C(=O)[O-] ZINC001604597806 1018408654 /nfs/dbraw/zinc/40/86/54/1018408654.db2.gz NEFBIIQXWTVRTN-RNFRBKRXSA-N -1 0 303.233 -0.516 20 0 DBADRM CCNC(=O)[C@@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037656820 967512121 /nfs/dbraw/zinc/51/21/21/967512121.db2.gz PALYBOXSEOZBGD-MRVPVSSYSA-N -1 0 307.372 -0.858 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000037456199 967512212 /nfs/dbraw/zinc/51/22/12/967512212.db2.gz ZVLYYGLYCIFRHX-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1C(N)=O ZINC000085326475 967572259 /nfs/dbraw/zinc/57/22/59/967572259.db2.gz XJYQOXCWYBLMQZ-BDAKNGLRSA-N -1 0 315.351 -0.344 20 0 DBADRM CCN(C)C(=O)CNC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001605406627 1018573583 /nfs/dbraw/zinc/57/35/83/1018573583.db2.gz BXMPMMHPPJZUCX-VIFPVBQESA-N -1 0 303.384 -0.076 20 0 DBADRM CC[S@](=O)CCNC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605736850 1018653918 /nfs/dbraw/zinc/65/39/18/1018653918.db2.gz RPPDYNCJFGAQIL-JYFUKTADSA-N -1 0 320.367 -0.730 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@H](CCC(=O)[O-])C(=O)OC ZINC001595980634 1017113260 /nfs/dbraw/zinc/11/32/60/1017113260.db2.gz ZDQYEHQGORHFFX-MRVPVSSYSA-N -1 0 309.340 -0.666 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC[C@H]1O ZINC000253207391 967798843 /nfs/dbraw/zinc/79/88/43/967798843.db2.gz XSVZTEGXJLNPOK-GXSJLCMTSA-N -1 0 306.384 -0.270 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000262284520 967816696 /nfs/dbraw/zinc/81/66/96/967816696.db2.gz ZOUOXFOEZBPGOB-WDEREUQCSA-N -1 0 318.395 -0.067 20 0 DBADRM COC(=O)CSCCNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001606474986 1018846953 /nfs/dbraw/zinc/84/69/53/1018846953.db2.gz XORFTGANQCCLPJ-UHFFFAOYSA-N -1 0 301.324 -0.396 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)C[C@@H]1CCCO1)C(=O)[O-] ZINC001607460141 1019016958 /nfs/dbraw/zinc/01/69/58/1019016958.db2.gz VCWAYFDHXRFNDN-CIUDSAMLSA-N -1 0 308.356 -0.937 20 0 DBADRM CS(=O)(=O)CCCCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001607368585 1018992499 /nfs/dbraw/zinc/99/24/99/1018992499.db2.gz IEGAIBUZGXUNCY-ZJUUUORDSA-N -1 0 307.368 -0.050 20 0 DBADRM CCC1(C(=O)N(C)C[C@@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001486347990 1013824943 /nfs/dbraw/zinc/82/49/43/1013824943.db2.gz VRQZGLYQZRDFIX-JTQLQIEISA-N -1 0 311.386 -0.048 20 0 DBADRM CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001596184260 1017116769 /nfs/dbraw/zinc/11/67/69/1017116769.db2.gz XPGNELLYMOPGRX-LPEHRKFASA-N -1 0 316.379 -0.002 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)C2=COCCO2)c1[O-] ZINC001486793783 1013882218 /nfs/dbraw/zinc/88/22/18/1013882218.db2.gz FIAOKGZWIASWQW-MRVPVSSYSA-N -1 0 324.337 -0.111 20 0 DBADRM CCN(C)C(=O)CNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001596182724 1017117341 /nfs/dbraw/zinc/11/73/41/1017117341.db2.gz NGEOIUBIKBPMPT-UHFFFAOYSA-N -1 0 315.351 -0.155 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001589835092 1021311811 /nfs/dbraw/zinc/31/18/11/1021311811.db2.gz TZTDLOZULGAGMZ-GFCCVEGCSA-N -1 0 322.383 -0.688 20 0 DBADRM C[C@]1(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)CCS(=O)(=O)N1 ZINC001589240642 969931643 /nfs/dbraw/zinc/93/16/43/969931643.db2.gz YUEDMGILOKBXMC-BXKDBHETSA-N -1 0 304.368 -0.219 20 0 DBADRM CCN([C@H]1CCNC1=O)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001596196559 1017120156 /nfs/dbraw/zinc/12/01/56/1017120156.db2.gz IETUXCUQODUFJR-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CCN(CC(=O)[O-])Cn1nc(CCC(N)=O)n(C)c1=S ZINC001596227225 1017120177 /nfs/dbraw/zinc/12/01/77/1017120177.db2.gz IXULBLLVSCAHPS-UHFFFAOYSA-N -1 0 301.372 -0.267 20 0 DBADRM O=C([O-])[C@H]1CC(C(=O)N[C@H]2CNC(=O)C2)=NN1c1ccccc1 ZINC001606554996 970336200 /nfs/dbraw/zinc/33/62/00/970336200.db2.gz BTZSKTORHKGILN-BXKDBHETSA-N -1 0 316.317 -0.289 20 0 DBADRM CCc1nnc(C)cc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000317678701 970378771 /nfs/dbraw/zinc/37/87/71/970378771.db2.gz XGBIXHQQCINNKT-NSHDSACASA-N -1 0 306.322 -0.237 20 0 DBADRM C[C@@H](CCCNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001487523781 1013999395 /nfs/dbraw/zinc/99/93/95/1013999395.db2.gz NIJTXMZTIXGWFE-CIUDSAMLSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@H]1C(=O)[O-] ZINC000319575150 970549605 /nfs/dbraw/zinc/54/96/05/970549605.db2.gz RLPFITNRCZNXIG-DTWKUNHWSA-N -1 0 311.338 -0.114 20 0 DBADRM CC1(C)CN(C(=O)NCCn2cc(C(=O)[O-])nn2)CC[C@@H]1O ZINC000320045568 970606366 /nfs/dbraw/zinc/60/63/66/970606366.db2.gz UUIHWQJHQXWGRH-JTQLQIEISA-N -1 0 311.342 -0.221 20 0 DBADRM CCN(CC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1CC1 ZINC001596202821 1017120933 /nfs/dbraw/zinc/12/09/33/1017120933.db2.gz APFICJORYGMHJQ-UHFFFAOYSA-N -1 0 318.395 -0.381 20 0 DBADRM O=C([O-])c1ccnc(N2CCN3C(=O)NC[C@@H]3C2)c1[N+](=O)[O-] ZINC000320296033 970644296 /nfs/dbraw/zinc/64/42/96/970644296.db2.gz ZUQSOQYGFZUCQN-SSDOTTSWSA-N -1 0 307.266 -0.098 20 0 DBADRM CN1CC(=O)N(CC(=O)NCCc2cccc(C(=O)[O-])c2)C1=O ZINC000320514134 970672665 /nfs/dbraw/zinc/67/26/65/970672665.db2.gz ZEVJATIIWASLJC-UHFFFAOYSA-N -1 0 319.317 -0.063 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1C ZINC000320641280 970690454 /nfs/dbraw/zinc/69/04/54/970690454.db2.gz IBTNKRFHGCRNAO-JTQLQIEISA-N -1 0 319.321 -0.454 20 0 DBADRM Cc1ccnc2nc(C(=O)N[C@H](Cc3c[nH]cn3)C(=O)[O-])nn21 ZINC000320642837 970690723 /nfs/dbraw/zinc/69/07/23/970690723.db2.gz IHZHCMUTDQFWGF-SECBINFHSA-N -1 0 315.293 -0.418 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000320682597 970698155 /nfs/dbraw/zinc/69/81/55/970698155.db2.gz OYFSYILYTHMPHM-NEPJUHHUSA-N -1 0 320.349 -0.077 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC000392874834 972537027 /nfs/dbraw/zinc/53/70/27/972537027.db2.gz LPFKLZKVUNYJHL-RNCFNFMXSA-N -1 0 301.343 -0.227 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H](C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001487856876 1014045344 /nfs/dbraw/zinc/04/53/44/1014045344.db2.gz VDGHBTHYVQZCOQ-RKDXNWHRSA-N -1 0 313.358 -0.302 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(CC(C)C)C1)C(=O)[O-] ZINC000393679212 972626641 /nfs/dbraw/zinc/62/66/41/972626641.db2.gz ZXIKBHHVNWXUMQ-VHSXEESVSA-N -1 0 314.338 -0.377 20 0 DBADRM Cc1cc(S(=O)(=O)NCC(C)(CO)CO)ccc1C(=O)[O-] ZINC000393869785 972652456 /nfs/dbraw/zinc/65/24/56/972652456.db2.gz CWUITPAKIQABBF-UHFFFAOYSA-N -1 0 317.363 -0.038 20 0 DBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCC(C)(CO)CO ZINC000393869404 972652814 /nfs/dbraw/zinc/65/28/14/972652814.db2.gz AKTXIPKAIIUAKO-UHFFFAOYSA-N -1 0 317.363 -0.038 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N3CC[C@](O)(C(=O)[O-])C3)nc2n1 ZINC000395311766 972786577 /nfs/dbraw/zinc/78/65/77/972786577.db2.gz BHSIQVXKRNEPHU-CYBMUJFWSA-N -1 0 305.294 -0.597 20 0 DBADRM NC(=O)COc1ccc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1 ZINC000395302742 972786831 /nfs/dbraw/zinc/78/68/31/972786831.db2.gz VSEKZOJBVMETOP-CQSZACIVSA-N -1 0 308.290 -0.788 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C[C@H]1O ZINC000395826442 972835966 /nfs/dbraw/zinc/83/59/66/972835966.db2.gz SFCLNJBRUJYYCI-GHMZBOCLSA-N -1 0 301.320 -0.235 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1CC[C@H]1CCNC1=O ZINC000395949646 972842901 /nfs/dbraw/zinc/84/29/01/972842901.db2.gz YDWCVFVBAZOJIN-NXEZZACHSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC3(C2)OCCO3)on1 ZINC000396598027 972920508 /nfs/dbraw/zinc/92/05/08/972920508.db2.gz OVLOCNACEGOJQP-UHFFFAOYSA-N -1 0 304.280 -0.490 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCNC(=O)CC2)o1 ZINC000396649062 972930607 /nfs/dbraw/zinc/93/06/07/972930607.db2.gz JJAYLRJZLPMWTA-SSDOTTSWSA-N -1 0 302.308 -0.075 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000396846365 972944149 /nfs/dbraw/zinc/94/41/49/972944149.db2.gz CCVNMJWLZKLQTF-RKDXNWHRSA-N -1 0 319.335 -0.350 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000397520388 973006263 /nfs/dbraw/zinc/00/62/63/973006263.db2.gz HZIFPCCZLUCEHD-UHFFFAOYSA-N -1 0 309.325 -0.861 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000397518625 973006875 /nfs/dbraw/zinc/00/68/75/973006875.db2.gz FEGKUIFZOHSFRP-UHFFFAOYSA-N -1 0 316.335 -0.009 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000397518659 973006914 /nfs/dbraw/zinc/00/69/14/973006914.db2.gz FFJREJRDUZPVLZ-UHFFFAOYSA-N -1 0 320.298 -0.178 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000397528336 973007934 /nfs/dbraw/zinc/00/79/34/973007934.db2.gz WDLGPFASWVZHIA-UHFFFAOYSA-N -1 0 316.335 -0.009 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000397526320 973008030 /nfs/dbraw/zinc/00/80/30/973008030.db2.gz SIGDVDQMLNJJIO-UHFFFAOYSA-N -1 0 316.335 -0.176 20 0 DBADRM Cn1nnc(CNC(=O)Nc2ccc(OCC(=O)[O-])cc2)n1 ZINC000398155439 973075605 /nfs/dbraw/zinc/07/56/05/973075605.db2.gz IGWIKTKNVOTIMC-UHFFFAOYSA-N -1 0 306.282 -0.005 20 0 DBADRM C[C@@H](CNC(=O)c1ccsc1CC(=O)[O-])S(N)(=O)=O ZINC000398214930 973083640 /nfs/dbraw/zinc/08/36/40/973083640.db2.gz AITJMEZSZCXOGK-LURJTMIESA-N -1 0 306.365 -0.218 20 0 DBADRM C[C@H](CNC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)S(N)(=O)=O ZINC000398219663 973083832 /nfs/dbraw/zinc/08/38/32/973083832.db2.gz CKWWGJUDXVVOSU-HLTSFMKQSA-N -1 0 307.372 -0.394 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000398220852 973085243 /nfs/dbraw/zinc/08/52/43/973085243.db2.gz CGTFTYHAHKFGDF-VIFPVBQESA-N -1 0 318.307 -0.150 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000398253276 973092793 /nfs/dbraw/zinc/09/27/93/973092793.db2.gz XUYHIMPCZBOPEG-MRVPVSSYSA-N -1 0 317.319 -0.428 20 0 DBADRM C[C@@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)S(N)(=O)=O ZINC000398376830 973129521 /nfs/dbraw/zinc/12/95/21/973129521.db2.gz LNQVWXJDUWGMDZ-UEJVZZJDSA-N -1 0 307.372 -0.394 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CNC(=O)C2)s1 ZINC000398411912 973138629 /nfs/dbraw/zinc/13/86/29/973138629.db2.gz RGFLTMHDYKFPSB-ZCFIWIBFSA-N -1 0 304.349 -0.139 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)C=C2CCC2)c1[O-] ZINC001487978257 1014090883 /nfs/dbraw/zinc/09/08/83/1014090883.db2.gz OYHFNVORUYFRBP-SNVBAGLBSA-N -1 0 308.338 -0.259 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@@H](C)C2CC2)c1[O-] ZINC001487970816 1014086990 /nfs/dbraw/zinc/08/69/90/1014086990.db2.gz OGTBTYIRRARXFS-XVKPBYJWSA-N -1 0 310.354 -0.323 20 0 DBADRM C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000398890716 973179839 /nfs/dbraw/zinc/17/98/39/973179839.db2.gz MRGGLCFLTKZILH-WPCRTTGESA-N -1 0 323.396 -0.645 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)C(C)(C)F)c1[O-] ZINC001487974554 1014088453 /nfs/dbraw/zinc/08/84/53/1014088453.db2.gz AUTDLESORSIODT-ZETCQYMHSA-N -1 0 302.306 -0.621 20 0 DBADRM C/C(=C/C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001487977239 1014089829 /nfs/dbraw/zinc/08/98/29/1014089829.db2.gz LSDQDGTYKFWXMC-OFSNVTPPSA-N -1 0 322.365 -0.013 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000399615362 973231430 /nfs/dbraw/zinc/23/14/30/973231430.db2.gz DNDQKEINULBJTI-ZETCQYMHSA-N -1 0 304.328 -0.802 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)c2cc(C(=O)[O-])on2)CC1 ZINC000400149737 973254033 /nfs/dbraw/zinc/25/40/33/973254033.db2.gz CTGUMTXXZATIMX-UHFFFAOYSA-N -1 0 317.323 -0.473 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)c2cc(C(=O)[O-])no2)C1 ZINC000400174207 973257369 /nfs/dbraw/zinc/25/73/69/973257369.db2.gz MNQLUYSITMJCQD-SSDOTTSWSA-N -1 0 317.323 -0.473 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)c2cc(C(=O)[O-])on2)C1 ZINC000400243441 973261565 /nfs/dbraw/zinc/26/15/65/973261565.db2.gz XWTBXOVOOBTDEP-ZCFIWIBFSA-N -1 0 303.296 -0.864 20 0 DBADRM C[C@@H]1CN(C(=O)NCCOCC(=O)[O-])C[C@@H](C)S1(=O)=O ZINC000400842557 973320827 /nfs/dbraw/zinc/32/08/27/973320827.db2.gz XXFOKACEALBTMQ-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM CO[C@]1(CO)CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000401723011 973380252 /nfs/dbraw/zinc/38/02/52/973380252.db2.gz KEXNAIRHTDPPQO-GFCCVEGCSA-N -1 0 318.351 -0.125 20 0 DBADRM CCOC(=O)CCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401815850 973414226 /nfs/dbraw/zinc/41/42/26/973414226.db2.gz IAQBQMVYVSMWEC-ZJUUUORDSA-N -1 0 302.327 -0.193 20 0 DBADRM CC1(CO)CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)CC1 ZINC000401817280 973415474 /nfs/dbraw/zinc/41/54/74/973415474.db2.gz YCEPZYKBQQSBTN-UHFFFAOYSA-N -1 0 311.342 -0.220 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1C ZINC000401820974 973420201 /nfs/dbraw/zinc/42/02/01/973420201.db2.gz JZCJVCSPXGUKBV-VHSXEESVSA-N -1 0 309.322 -0.695 20 0 DBADRM CS(=O)(=O)c1cccnc1N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401850827 973450837 /nfs/dbraw/zinc/45/08/37/973450837.db2.gz ZPTIYKCQSFRWMA-DTWKUNHWSA-N -1 0 300.336 -0.243 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)CNC(=O)c2cccc(F)c2)C1 ZINC000401881359 973488634 /nfs/dbraw/zinc/48/86/34/973488634.db2.gz OCNZLHQSEGXCQO-JQWIXIFHSA-N -1 0 324.308 -0.151 20 0 DBADRM COCCn1cc(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC000401899430 973504264 /nfs/dbraw/zinc/50/42/64/973504264.db2.gz PKBDWKOUIYWONK-GXSJLCMTSA-N -1 0 312.326 -0.171 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2nnnn2C[C@H]2CCCO2)C1 ZINC001604541088 973513104 /nfs/dbraw/zinc/51/31/04/973513104.db2.gz GCJKUJXQCIJECU-ZWNOBZJWSA-N -1 0 311.342 -0.220 20 0 DBADRM COCCOCCCNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401904876 973513545 /nfs/dbraw/zinc/51/35/45/973513545.db2.gz QHIFVERSKIEHQC-WDEREUQCSA-N -1 0 304.343 -0.484 20 0 DBADRM COC[C@@]1(C(=O)[O-])CC[N@H+](CN2C[C@@H](C(=O)OC)OC2=O)C1 ZINC001604541946 973529214 /nfs/dbraw/zinc/52/92/14/973529214.db2.gz NAUTWTCEQPOXML-TVQRCGJNSA-N -1 0 316.310 -0.639 20 0 DBADRM COC[C@@]1(C(=O)[O-])CC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC001604541939 973529724 /nfs/dbraw/zinc/52/97/24/973529724.db2.gz MXGSMVBCSUFIGB-IUODEOHRSA-N -1 0 322.365 -0.052 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)CCO1 ZINC001604548776 973541046 /nfs/dbraw/zinc/54/10/46/973541046.db2.gz BJPDPZNPCBTDRP-OXIWPEFWSA-N -1 0 314.338 -0.182 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(Cc2nnnn2Cc2ccccc2)C1 ZINC000401942901 973550221 /nfs/dbraw/zinc/55/02/21/973550221.db2.gz HHPXKGMSCVPYBG-STQMWFEESA-N -1 0 317.349 -0.011 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401962845 973567463 /nfs/dbraw/zinc/56/74/63/973567463.db2.gz YNKLLRZZXRFYJH-CIUDSAMLSA-N -1 0 319.383 -0.930 20 0 DBADRM Cc1c(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cnn1C ZINC000401967761 973573830 /nfs/dbraw/zinc/57/38/30/973573830.db2.gz HFKVIFZZDCJPJV-RKDXNWHRSA-N -1 0 303.340 -0.815 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(S(=O)(=O)c2cncc(F)c2)C1 ZINC000401971078 973577374 /nfs/dbraw/zinc/57/73/74/973577374.db2.gz MLMILOUARQMTPB-CBAPKCEASA-N -1 0 304.299 -0.323 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccnn2C)C1 ZINC000402579088 973627099 /nfs/dbraw/zinc/62/70/99/973627099.db2.gz RUHQLKMIHPEBJQ-JQWIXIFHSA-N -1 0 308.338 -0.080 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000402600863 973630456 /nfs/dbraw/zinc/63/04/56/973630456.db2.gz NNCGOGHKZQZHJP-GZMMTYOYSA-N -1 0 315.351 -0.513 20 0 DBADRM Cc1nocc1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000402796644 973650981 /nfs/dbraw/zinc/65/09/81/973650981.db2.gz WQGPUUAAGWWMJJ-MRVPVSSYSA-N -1 0 302.308 -0.303 20 0 DBADRM COC(=O)N[C@H]1CCN(S(=O)(=O)C2(CC(=O)[O-])CC2)C1 ZINC001573925138 1026664505 /nfs/dbraw/zinc/66/45/05/1026664505.db2.gz FDZPOILNIKYFPP-QMMMGPOBSA-N -1 0 306.340 -0.246 20 0 DBADRM COC(=O)[C@@H](F)CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573926411 1026664537 /nfs/dbraw/zinc/66/45/37/1026664537.db2.gz XLONCHBDCOTAJA-YFKPBYRVSA-N -1 0 309.275 -0.794 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@@H](CO)[C@@H]1CCCOC1 ZINC001573724644 1026625833 /nfs/dbraw/zinc/62/58/33/1026625833.db2.gz OIEUPFMMOIJFGD-OUAUKWLOSA-N -1 0 309.384 -0.053 20 0 DBADRM C[C@@H]1OCC[C@@]1(C)NC(=O)NCCOCCOCC(=O)[O-] ZINC001573758030 1026627620 /nfs/dbraw/zinc/62/76/20/1026627620.db2.gz MJILVHNBEVUREJ-GXFFZTMASA-N -1 0 304.343 -0.029 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])C1 ZINC001573930191 1026666660 /nfs/dbraw/zinc/66/66/60/1026666660.db2.gz GMAYFFYGQQACBW-VHSKPIJISA-N -1 0 309.340 -0.917 20 0 DBADRM CSC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC001574096462 1026701814 /nfs/dbraw/zinc/70/18/14/1026701814.db2.gz OAVLEMKFUAAGIL-SSDOTTSWSA-N -1 0 319.364 -0.725 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H](CO)CC(F)F)c1C(=O)[O-] ZINC001574182878 1026719079 /nfs/dbraw/zinc/71/90/79/1026719079.db2.gz SPKHKKGYMFUKSQ-RXMQYKEDSA-N -1 0 313.282 -0.289 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NC[C@@H](CC2CC2)C(=O)[O-])C1=O ZINC000405364300 973849943 /nfs/dbraw/zinc/84/99/43/973849943.db2.gz VQUFEEVLLWZTJM-SECBINFHSA-N -1 0 311.338 -0.066 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCN2CCCS2(=O)=O)C1 ZINC000405969903 973913426 /nfs/dbraw/zinc/91/34/26/973913426.db2.gz FPULFLSRXJVSNI-ZJUUUORDSA-N -1 0 319.383 -0.426 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1cnon1 ZINC001596327352 1017129628 /nfs/dbraw/zinc/12/96/28/1017129628.db2.gz ZBWDVSIYZMFMQW-IUCAKERBSA-N -1 0 310.310 -0.241 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1n[nH]nc1C ZINC001596333839 1017130540 /nfs/dbraw/zinc/13/05/40/1017130540.db2.gz WLFTZNNKVWEBIX-RKDXNWHRSA-N -1 0 309.326 -0.588 20 0 DBADRM CCC1(C(=O)NC[C@H](CO)NC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001488086433 1014208348 /nfs/dbraw/zinc/20/83/48/1014208348.db2.gz GSEACSNPURJBPK-SECBINFHSA-N -1 0 310.354 -0.179 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000585867824 974961615 /nfs/dbraw/zinc/96/16/15/974961615.db2.gz KSOFAYTVLFAWDQ-VIFPVBQESA-N -1 0 311.685 -0.509 20 0 DBADRM CC(C)=CC(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001488149562 1014271202 /nfs/dbraw/zinc/27/12/02/1014271202.db2.gz TVTRGTBSPXETEE-VHSXEESVSA-N -1 0 323.353 -0.239 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnnn1C ZINC001591720779 975654511 /nfs/dbraw/zinc/65/45/11/975654511.db2.gz UAOKWAIPCUBSSA-QMMMGPOBSA-N -1 0 306.344 -0.686 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CCNC(=O)[C@H]2CCNC2=O)c1[O-] ZINC001527699606 1014282306 /nfs/dbraw/zinc/28/23/06/1014282306.db2.gz COAQDGWKXJNNCX-VXNVDRBHSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2csnn2)c1[O-] ZINC001528042954 1014343598 /nfs/dbraw/zinc/34/35/98/1014343598.db2.gz WYYPORNZXCJHQB-UHFFFAOYSA-N -1 0 310.339 -0.223 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)C[C@@H]2CCC(=O)N2)c1[O-] ZINC001528041574 1014343758 /nfs/dbraw/zinc/34/37/58/1014343758.db2.gz JEWFUNIDRIEEBR-VIFPVBQESA-N -1 0 323.353 -0.719 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)C[C@@H]2COC(=O)C2)c1[O-] ZINC001528042249 1014344009 /nfs/dbraw/zinc/34/40/09/1014344009.db2.gz PJUBDUODOAWDSF-VIFPVBQESA-N -1 0 324.337 -0.435 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]2C[C@H]2C)c1[O-] ZINC001488348579 1014366580 /nfs/dbraw/zinc/36/65/80/1014366580.db2.gz SRRSMIDZCPQFEG-SZEHBUNVSA-N -1 0 310.354 -0.371 20 0 DBADRM COCCN(C)S(=O)(=O)N1[C@H](C(=O)[O-])C[C@@H]2OCC[C@@H]21 ZINC000926597358 977445325 /nfs/dbraw/zinc/44/53/25/977445325.db2.gz SPHVRAALIDCIJD-GUBZILKMSA-N -1 0 308.356 -0.874 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3c[nH]c(=O)n3C)C2)c1[O-] ZINC000990855290 977456820 /nfs/dbraw/zinc/45/68/20/977456820.db2.gz SYXDMTMSWIKWGH-UHFFFAOYSA-N -1 0 320.309 -0.883 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN(C)C(=O)CCCF)c1[O-] ZINC001488391758 1014400164 /nfs/dbraw/zinc/40/01/64/1014400164.db2.gz SQTLXIUEBXSUKQ-SECBINFHSA-N -1 0 316.333 -0.277 20 0 DBADRM O=C(C1CC1)N1CC[C@H](N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001051963463 977580400 /nfs/dbraw/zinc/58/04/00/977580400.db2.gz UWLYAGVHTYKTQX-LBPRGKRZSA-N -1 0 320.397 -0.361 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001596383952 1017132975 /nfs/dbraw/zinc/13/29/75/1017132975.db2.gz JZRZNQDGDZMMSB-UHFFFAOYSA-N -1 0 308.356 -0.429 20 0 DBADRM O=C(NCC1CC(Nc2ncccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001052147319 977662684 /nfs/dbraw/zinc/66/26/84/977662684.db2.gz ZKSHPBADYOBUGP-UHFFFAOYSA-N -1 0 317.309 -0.307 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)C1=COCCO1 ZINC001052173460 977664286 /nfs/dbraw/zinc/66/42/86/977664286.db2.gz RLFXERLGRJENOS-SNVBAGLBSA-N -1 0 323.353 -0.131 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](C)[C@@H](CNC(=O)CC(N)=O)C2)c1[O-] ZINC001052379599 977716424 /nfs/dbraw/zinc/71/64/24/977716424.db2.gz ZDKDWASSEVMPNV-CBAPKCEASA-N -1 0 323.353 -0.877 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H](CNC(=O)CC(N)=O)C2)c1[O-] ZINC001052379600 977717529 /nfs/dbraw/zinc/71/75/29/977717529.db2.gz ZDKDWASSEVMPNV-IONNQARKSA-N -1 0 323.353 -0.877 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C2)c1[O-] ZINC001052379602 977719311 /nfs/dbraw/zinc/71/93/11/977719311.db2.gz ZDKDWASSEVMPNV-VXNVDRBHSA-N -1 0 323.353 -0.877 20 0 DBADRM Cc1c[nH]cc1C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001528477811 1014421452 /nfs/dbraw/zinc/42/14/52/1014421452.db2.gz ATTPCOYTVYFIGA-UHFFFAOYSA-N -1 0 322.325 -0.786 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cn[nH]n1 ZINC001052519719 977758638 /nfs/dbraw/zinc/75/86/38/977758638.db2.gz AGOAJGJANNCZQG-MRVPVSSYSA-N -1 0 306.330 -0.587 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCNC1=O ZINC001052622632 977780952 /nfs/dbraw/zinc/78/09/52/977780952.db2.gz VZCWUASAYHNRTH-UWVGGRQHSA-N -1 0 322.369 -0.883 20 0 DBADRM CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001488415282 1014426745 /nfs/dbraw/zinc/42/67/45/1014426745.db2.gz NSBLQTLHRFDIAZ-SECBINFHSA-N -1 0 322.321 -0.160 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052713773 977806407 /nfs/dbraw/zinc/80/64/07/977806407.db2.gz HEZWFLFKSGPAJF-AEJSXWLSSA-N -1 0 322.369 -0.898 20 0 DBADRM O=C(Cc1c[nH]cn1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052749171 977809030 /nfs/dbraw/zinc/80/90/30/977809030.db2.gz RJJLNYCIGJFHQR-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(Cc1ncc[nH]1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052824661 977821387 /nfs/dbraw/zinc/82/13/87/977821387.db2.gz ZXFPAHUDMQLZLY-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(Cn1ccnc1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052972392 977845239 /nfs/dbraw/zinc/84/52/39/977845239.db2.gz SWQSWEUWXQDETO-LLVKDONJSA-N -1 0 319.369 -0.122 20 0 DBADRM CCC(=O)NC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001053074383 977849636 /nfs/dbraw/zinc/84/96/36/977849636.db2.gz NZLOHJCIENLHCG-SFYZADRCSA-N -1 0 309.326 -0.483 20 0 DBADRM O=C(C(F)F)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053119039 977854826 /nfs/dbraw/zinc/85/48/26/977854826.db2.gz OXQNLPXKTKULFN-UHFFFAOYSA-N -1 0 303.269 -0.811 20 0 DBADRM CC(C)=CC(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053137124 977859992 /nfs/dbraw/zinc/85/99/92/977859992.db2.gz ABNLMKZWEPZCLZ-UHFFFAOYSA-N -1 0 307.354 -0.110 20 0 DBADRM C[C@@H](C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)C1CC1 ZINC001053205897 977881304 /nfs/dbraw/zinc/88/13/04/977881304.db2.gz OMECXBNNHFONAW-SNVBAGLBSA-N -1 0 321.381 -0.030 20 0 DBADRM CC(C)(C)C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053515748 977982290 /nfs/dbraw/zinc/98/22/90/977982290.db2.gz NPOORNKMUMXWMC-UHFFFAOYSA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1ccc[nH]1 ZINC001053738215 978044190 /nfs/dbraw/zinc/04/41/90/978044190.db2.gz GBFNZPHIGSCXID-VIFPVBQESA-N -1 0 318.337 -0.388 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053893103 978134173 /nfs/dbraw/zinc/13/41/73/978134173.db2.gz KFJLKMOVZPVRIJ-KXUCPTDWSA-N -1 0 307.354 -0.374 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053898440 978136299 /nfs/dbraw/zinc/13/62/99/978136299.db2.gz KFJLKMOVZPVRIJ-GUBZILKMSA-N -1 0 307.354 -0.374 20 0 DBADRM Cc1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)ccn1 ZINC001174654143 978158616 /nfs/dbraw/zinc/15/86/16/978158616.db2.gz SCUAWIAYCJCZAL-UHFFFAOYSA-N -1 0 312.311 -0.599 20 0 DBADRM CCn1c2ccccc2n(CC(=O)N(C)c2nnn[n-]2)c1=O ZINC001528749236 1014467839 /nfs/dbraw/zinc/46/78/39/1014467839.db2.gz NRQYYUXGQMGUPR-UHFFFAOYSA-N -1 0 301.310 -0.001 20 0 DBADRM CCOC(=O)N1CCC(S(=O)(=O)NCC(=O)[N-]OC)CC1 ZINC001213912712 978698268 /nfs/dbraw/zinc/69/82/68/978698268.db2.gz KOAQOIPBZGFJJL-UHFFFAOYSA-N -1 0 323.371 -0.796 20 0 DBADRM CCOC(=O)c1ccncc1NC(=O)[C@@H]([NH3+])Cc1nnn[n-]1 ZINC001218571538 978832809 /nfs/dbraw/zinc/83/28/09/978832809.db2.gz MLPDVJUIKIGZQX-QMMMGPOBSA-N -1 0 305.298 -0.720 20 0 DBADRM [NH3+][C@@H](Cc1nnn[n-]1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC001218818066 978855004 /nfs/dbraw/zinc/85/50/04/978855004.db2.gz OKAUNOJSKUWUAK-NSHDSACASA-N -1 0 315.337 -0.165 20 0 DBADRM CCN1C[C@H](N2C(=O)[C@@H]3C[C@@H](C(=O)[O-])CCN3C2=O)CC1=O ZINC001596398518 1017136475 /nfs/dbraw/zinc/13/64/75/1017136475.db2.gz YLPALSRQLRZQDX-AEJSXWLSSA-N -1 0 309.322 -0.265 20 0 DBADRM CCN1C[C@@H](C)N(C(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C[C@H]1C ZINC001596396282 1017136861 /nfs/dbraw/zinc/13/68/61/1017136861.db2.gz QOHCUBJFWBXOHU-WYUUTHIRSA-N -1 0 311.382 -0.236 20 0 DBADRM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220178641 979127859 /nfs/dbraw/zinc/12/78/59/979127859.db2.gz QNATVIQFTNKDFW-KHQFGBGNSA-N -1 0 301.322 -0.834 20 0 DBADRM CCC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CCC1 ZINC001220192668 979130710 /nfs/dbraw/zinc/13/07/10/979130710.db2.gz XUSRSLXXQDWFEI-ZJUUUORDSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(NCCOP(=O)([O-])[O-])[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001220220774 979140792 /nfs/dbraw/zinc/14/07/92/979140792.db2.gz DXJGJNNVCMIMBW-ZYHUDNBSSA-N -1 0 322.298 -0.239 20 0 DBADRM C[C@H](CO[N-]C(=O)C1CS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC001596400602 1017136935 /nfs/dbraw/zinc/13/69/35/1017136935.db2.gz BJQZPYKGJVEFTG-MRVPVSSYSA-N -1 0 322.383 -0.008 20 0 DBADRM CC(C)C1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CC1 ZINC001220326766 979170480 /nfs/dbraw/zinc/17/04/80/979170480.db2.gz GVMBROUWLPFHLH-ZJUUUORDSA-N -1 0 309.370 -0.392 20 0 DBADRM CCCC(=O)NCCN(CCC)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001529451442 1014557550 /nfs/dbraw/zinc/55/75/50/1014557550.db2.gz UOLHQLMFWCNZLC-UHFFFAOYSA-N -1 0 313.358 -0.156 20 0 DBADRM C[C@H](CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC1 ZINC001221108218 979366655 /nfs/dbraw/zinc/36/66/55/979366655.db2.gz SSUFXPWZQYIQMR-IEBDPFPHSA-N -1 0 309.370 -0.392 20 0 DBADRM CCN1C[C@H](NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1=O ZINC001596398548 1017137159 /nfs/dbraw/zinc/13/71/59/1017137159.db2.gz ZASAGKZFYJECHR-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM Cn1cc(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])cn1 ZINC001222430004 979512568 /nfs/dbraw/zinc/51/25/68/979512568.db2.gz KSLVVFBMTNHBSZ-GFCCVEGCSA-N -1 0 319.383 -0.475 20 0 DBADRM Cn1cncc1CO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001222594997 979518468 /nfs/dbraw/zinc/51/84/68/979518468.db2.gz LBRWNBOVCNILCP-LBPRGKRZSA-N -1 0 319.383 -0.475 20 0 DBADRM CCOC(=O)c1noc(COC(=O)[C@H](O)CCC(=O)[O-])n1 ZINC001222959666 979532165 /nfs/dbraw/zinc/53/21/65/979532165.db2.gz BANIPCSHJGARPB-ZCFIWIBFSA-N -1 0 302.239 -0.485 20 0 DBADRM NS(=O)(=O)c1ccc(COC(=O)[C@H](O)CC(=O)[O-])cc1 ZINC001223015597 979535655 /nfs/dbraw/zinc/53/56/55/979535655.db2.gz QEXMGAOVXQRLPQ-SECBINFHSA-N -1 0 303.292 -0.787 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OCc1cocn1 ZINC001223136085 979539752 /nfs/dbraw/zinc/53/97/52/979539752.db2.gz RAROWOZBAKZFQN-NSHDSACASA-N -1 0 306.340 -0.220 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCc1cncnc1 ZINC001223219278 979542491 /nfs/dbraw/zinc/54/24/91/979542491.db2.gz LKCXNRQWNJQUMN-GFCCVEGCSA-N -1 0 317.367 -0.418 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1ncccc1O ZINC001225650146 979600726 /nfs/dbraw/zinc/60/07/26/979600726.db2.gz DEFCQFAFNOZSFR-SNVBAGLBSA-N -1 0 318.351 -0.245 20 0 DBADRM CCOC(=O)[C@@H](C)[C@@H](Oc1c([O-])c(=O)c(=O)c1=O)C(F)(F)F ZINC001225833414 979607620 /nfs/dbraw/zinc/60/76/20/979607620.db2.gz LLRRHIUIIQRXAS-ZXPFJRLXSA-N -1 0 324.207 -0.143 20 0 DBADRM CCOC(=O)[C@H](C)[C@@H](Oc1c([O-])c(=O)c(=O)c1=O)C(F)(F)F ZINC001225833409 979608202 /nfs/dbraw/zinc/60/82/02/979608202.db2.gz LLRRHIUIIQRXAS-PHNJOPHVSA-N -1 0 324.207 -0.143 20 0 DBADRM CC(=O)OC[C@@H](COc1[n-]c(=O)nc2cnncc21)OC(C)=O ZINC001226688669 979641520 /nfs/dbraw/zinc/64/15/20/979641520.db2.gz UURXLUCANGBWMV-VIFPVBQESA-N -1 0 322.277 -0.001 20 0 DBADRM COC(=O)C[C@H](Oc1[n-]c(=O)nc2nccnc21)C(=O)OC ZINC001226991744 979652637 /nfs/dbraw/zinc/65/26/37/979652637.db2.gz OHBNORKZRBWJJH-LURJTMIESA-N -1 0 308.250 -0.391 20 0 DBADRM CNC(=O)CCCC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001227017488 979655833 /nfs/dbraw/zinc/65/58/33/979655833.db2.gz PYOFZHVKQAUCCM-UHFFFAOYSA-N -1 0 324.385 -0.493 20 0 DBADRM O=c1nnc(Br)c(O[C@@H]2CCS(=O)(=O)C2)[n-]1 ZINC001227063435 979657187 /nfs/dbraw/zinc/65/71/87/979657187.db2.gz FCAXJALYGZVZKX-SCSAIBSYSA-N -1 0 310.129 -0.094 20 0 DBADRM COC(=O)CC(CC(=O)OC)Oc1nnc(C(=O)OC)[n-]1 ZINC001228309946 979670743 /nfs/dbraw/zinc/67/07/43/979670743.db2.gz BGUDXKUAPOKTOP-UHFFFAOYSA-N -1 0 301.255 -0.535 20 0 DBADRM COC(=O)c1nnc(OC[C@H]2OC(=O)[C@@H]3OC(C)(C)O[C@H]23)[n-]1 ZINC001228311956 979671028 /nfs/dbraw/zinc/67/10/28/979671028.db2.gz PCOHJZXVAPNNQE-FSDSQADBSA-N -1 0 313.266 -0.584 20 0 DBADRM COC(=O)c1nnc(O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3OC(C)=O)[n-]1 ZINC001228314956 979673138 /nfs/dbraw/zinc/67/31/38/979673138.db2.gz VKPQGIYXLCYSBY-JQCXWYLXSA-N -1 0 313.266 -0.932 20 0 DBADRM CCOC(=O)Cc1cncnc1OC(=O)[C@H](O)CCC(=O)[O-] ZINC001228313740 979673536 /nfs/dbraw/zinc/67/35/36/979673536.db2.gz LPKVZICXPDGFCA-SECBINFHSA-N -1 0 312.278 -0.287 20 0 DBADRM COc1cc(/C=C/C(N)=O)ccc1OC(=O)[C@H](O)CC(=O)[O-] ZINC001229489905 979678260 /nfs/dbraw/zinc/67/82/60/979678260.db2.gz FEMKIDDLFDUHNT-HYYFJVDXSA-N -1 0 309.274 -0.065 20 0 DBADRM CC[C@@H](CNC(=O)c1ccnc(S(C)(=O)=O)n1)C(=O)[O-] ZINC001595163089 979693190 /nfs/dbraw/zinc/69/31/90/979693190.db2.gz KSEILYBKCFTRFS-ZETCQYMHSA-N -1 0 301.324 -0.279 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001325279370 979709535 /nfs/dbraw/zinc/70/95/35/979709535.db2.gz OGEFYPBQZOJXGA-WOPDTQHZSA-N -1 0 316.354 -0.619 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC001326454190 979736503 /nfs/dbraw/zinc/73/65/03/979736503.db2.gz SZMSXRPIBOXZOH-GXFFZTMASA-N -1 0 301.343 -0.309 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1(OC)CCCCC1 ZINC001326674110 979752529 /nfs/dbraw/zinc/75/25/29/979752529.db2.gz HHLAEYUTSGOXBK-UHFFFAOYSA-N -1 0 315.370 -0.364 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@H](OC)C1(C)C ZINC001326713542 979758670 /nfs/dbraw/zinc/75/86/70/979758670.db2.gz XKMKDLIMKGEGOZ-IUCAKERBSA-N -1 0 301.343 -0.900 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC001326748737 979762415 /nfs/dbraw/zinc/76/24/15/979762415.db2.gz AOUDYXJXCCPDRY-SNVBAGLBSA-N -1 0 323.353 -0.700 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](COC)C1 ZINC001326748728 979763299 /nfs/dbraw/zinc/76/32/99/979763299.db2.gz AHAVSVIRSFARNG-SNVBAGLBSA-N -1 0 301.343 -0.945 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCn2cccc2[C@H]1C ZINC001327037328 979786488 /nfs/dbraw/zinc/78/64/88/979786488.db2.gz FXWJDOUSWFMFJJ-SNVBAGLBSA-N -1 0 308.338 -0.425 20 0 DBADRM CCON(C)C(=O)CNC(=O)C(=O)[N-]OCc1ccccc1 ZINC001327037890 979789079 /nfs/dbraw/zinc/78/90/79/979789079.db2.gz JLOAMZNKGHFYJS-UHFFFAOYSA-N -1 0 309.322 -0.240 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1ccc([S@@](C)=O)cc1 ZINC001327182267 979795825 /nfs/dbraw/zinc/79/58/25/979795825.db2.gz HQKWCBRQZXCNPD-OAQYLSRUSA-N -1 0 314.363 -0.266 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001327207075 979797570 /nfs/dbraw/zinc/79/75/70/979797570.db2.gz YTMPPEPGPVXNQI-VIFPVBQESA-N -1 0 321.337 -0.245 20 0 DBADRM O=C(NC[C@@H]1CSCCS1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001331057513 979853047 /nfs/dbraw/zinc/85/30/47/979853047.db2.gz FATFTTUXPZMHTP-IWSPIJDZSA-N -1 0 318.420 -0.069 20 0 DBADRM CC(C)N(CCOCCO)C(=O)c1c[n-]n2c1nccc2=O ZINC001331170620 979864228 /nfs/dbraw/zinc/86/42/28/979864228.db2.gz MOZCSFXSWGKAMF-UHFFFAOYSA-N -1 0 308.338 -0.118 20 0 DBADRM CON1CCC(N(C)C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001331536574 979886558 /nfs/dbraw/zinc/88/65/58/979886558.db2.gz VENRSQXNEWVENU-MGCOHNPYSA-N -1 0 313.354 -0.550 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)C(=O)[N-]OC[C@H]2CCOC2)C1 ZINC001342803139 979908545 /nfs/dbraw/zinc/90/85/45/979908545.db2.gz VUJVOSRTCWOYIV-WDEREUQCSA-N -1 0 313.354 -0.802 20 0 DBADRM COC1CCN(C(=O)NCCOCCOCC(=O)[O-])CC1 ZINC001343114591 979921690 /nfs/dbraw/zinc/92/16/90/979921690.db2.gz AQFAQBZISMLFSH-UHFFFAOYSA-N -1 0 304.343 -0.075 20 0 DBADRM C[C@@H]1C[C@@H](CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)[C@@H](C)O1 ZINC001343146792 979923517 /nfs/dbraw/zinc/92/35/17/979923517.db2.gz AVKNBUOURGVRQE-MXWKQRLJSA-N -1 0 313.354 -0.262 20 0 DBADRM CCSCCC(=O)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001343528632 979951546 /nfs/dbraw/zinc/95/15/46/979951546.db2.gz DQVQZNDFIRYIDF-ZJUUUORDSA-N -1 0 313.383 -0.751 20 0 DBADRM CN(CC(=O)[N-]OC1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001343739440 979962119 /nfs/dbraw/zinc/96/21/19/979962119.db2.gz RJGGTYRDWRISRC-JTQLQIEISA-N -1 0 306.384 -0.668 20 0 DBADRM C/C=C(/C)C(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001344204348 979989240 /nfs/dbraw/zinc/98/92/40/979989240.db2.gz MGGQTVGZFCOIRH-KSKUCDALSA-N -1 0 321.337 -0.126 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@]2(C1)CCCOC2 ZINC001344826952 980014853 /nfs/dbraw/zinc/01/48/53/980014853.db2.gz NKEHFUHEFLBMLX-ZDUSSCGKSA-N -1 0 310.358 -0.252 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2N1 ZINC001344947423 980022139 /nfs/dbraw/zinc/02/21/39/980022139.db2.gz QVBUTVGROSSGTH-JTQLQIEISA-N -1 0 309.322 -0.166 20 0 DBADRM Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001345290486 980045520 /nfs/dbraw/zinc/04/55/20/980045520.db2.gz OSDURNHYKCUJIH-KOLCDFICSA-N -1 0 310.354 -0.010 20 0 DBADRM COCCc1cc(NC(=O)C(=O)NCCCC(=O)[O-])n(C)n1 ZINC001345944164 980100841 /nfs/dbraw/zinc/10/08/41/980100841.db2.gz OVLIXDVBFRWCQN-UHFFFAOYSA-N -1 0 312.326 -0.472 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)C(=O)NCCCC(=O)[O-])ccnc1-2 ZINC001345944640 980101360 /nfs/dbraw/zinc/10/13/60/980101360.db2.gz UBEPQSOIBDXFFZ-UHFFFAOYSA-N -1 0 305.294 -0.739 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC[C@@H]1O ZINC001345942736 980101964 /nfs/dbraw/zinc/10/19/64/980101964.db2.gz GXNRTFRQPDUXIR-QWRGUYRKSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC[C@@H]1O ZINC001345942735 980102298 /nfs/dbraw/zinc/10/22/98/980102298.db2.gz GXNRTFRQPDUXIR-MNOVXSKESA-N -1 0 312.366 -0.071 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCCOc1ccccc1 ZINC001346343053 980132069 /nfs/dbraw/zinc/13/20/69/980132069.db2.gz VXDQJBSTIMRCNY-UHFFFAOYSA-N -1 0 323.349 -0.244 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](COC)c1ccco1 ZINC001346370947 980135654 /nfs/dbraw/zinc/13/56/54/980135654.db2.gz QHNLCSULQOZBBA-SECBINFHSA-N -1 0 313.310 -0.733 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1(SC)CCC1 ZINC001346384461 980137628 /nfs/dbraw/zinc/13/76/28/980137628.db2.gz XEOLBGPHEYDPFD-UHFFFAOYSA-N -1 0 303.384 -0.428 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC001346383194 980137737 /nfs/dbraw/zinc/13/77/37/980137737.db2.gz CNMHQDLDSQSDOL-HBNTYKKESA-N -1 0 313.354 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@](C)(CC)C1 ZINC001346414901 980141138 /nfs/dbraw/zinc/14/11/38/980141138.db2.gz KCUHOCRLIFEVIJ-CYBMUJFWSA-N -1 0 301.343 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC001346415560 980141305 /nfs/dbraw/zinc/14/13/05/980141305.db2.gz PJAYJSYBMOLNEH-LBPRGKRZSA-N -1 0 320.349 -0.419 20 0 DBADRM CON1CCC(N(C)C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC001346516284 980149156 /nfs/dbraw/zinc/14/91/56/980149156.db2.gz NKAAURZOVIZNED-SECBINFHSA-N -1 0 301.343 -0.693 20 0 DBADRM CC(C)c1noc(CCNC(=O)C(=O)NC[C@H](C)C(=O)[O-])n1 ZINC001346519420 980149419 /nfs/dbraw/zinc/14/94/19/980149419.db2.gz WOWTXLKRYMHUSV-QMMMGPOBSA-N -1 0 312.326 -0.311 20 0 DBADRM CC[C@H](NC(=O)C(=O)[N-]OCC(C)C)C(=O)N1CCOCC1 ZINC001346811477 980172146 /nfs/dbraw/zinc/17/21/46/980172146.db2.gz KGJIKQXDYSSBGA-NSHDSACASA-N -1 0 315.370 -0.556 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCc1ccc(C(N)=O)o1 ZINC001346994677 980184676 /nfs/dbraw/zinc/18/46/76/980184676.db2.gz BZFJSVFAHMPIDH-UHFFFAOYSA-N -1 0 301.324 -0.595 20 0 DBADRM O=C([O-])CSCCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001347048430 980193191 /nfs/dbraw/zinc/19/31/91/980193191.db2.gz GBRFGHISEBVDOY-UHFFFAOYSA-N -1 0 315.355 -0.887 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2cn(C)nn2)CC[C@@H]1C(=O)[O-] ZINC001348306919 980277649 /nfs/dbraw/zinc/27/76/49/980277649.db2.gz ICHDHOZPLUAAIQ-WPRPVWTQSA-N -1 0 309.326 -1.000 20 0 DBADRM CC(C)(F)C(=O)NCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001348317459 980279152 /nfs/dbraw/zinc/27/91/52/980279152.db2.gz PZLPUIVCBYSNQS-UHFFFAOYSA-N -1 0 315.305 -0.804 20 0 DBADRM Cc1ccoc1C(=O)NCCNC(=O)c1cnc([O-])n(C)c1=O ZINC001348472286 980310223 /nfs/dbraw/zinc/31/02/23/980310223.db2.gz VOYCPOIBSUASSC-UHFFFAOYSA-N -1 0 320.305 -0.453 20 0 DBADRM C/C(=C\C(=O)NCCNC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001348562427 980321477 /nfs/dbraw/zinc/32/14/77/980321477.db2.gz MDEQNPQGLZBQOJ-VQHVLOKHSA-N -1 0 320.349 -0.312 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)c1[O-] ZINC001348788784 980360987 /nfs/dbraw/zinc/36/09/87/980360987.db2.gz NOJSYQFMCARGNA-CBAPKCEASA-N -1 0 323.353 -0.816 20 0 DBADRM CC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@H](O)C(F)(F)F ZINC001595307118 980463982 /nfs/dbraw/zinc/46/39/82/980463982.db2.gz VWDGYTCULIUMQS-XPUUQOCRSA-N -1 0 322.305 -0.071 20 0 DBADRM O=C(C[C@@H]1C[C@H]1C1CC1)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001349406076 980464322 /nfs/dbraw/zinc/46/43/22/980464322.db2.gz FZETXNXRTOCDAI-IUCAKERBSA-N -1 0 321.337 -0.435 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)[N-]OCCC(F)(F)F)n1 ZINC001349453610 980471285 /nfs/dbraw/zinc/47/12/85/980471285.db2.gz XZIPTCDJJKBXSO-UHFFFAOYSA-N -1 0 309.248 -0.086 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(OC)OC ZINC001595316045 980481077 /nfs/dbraw/zinc/48/10/77/980481077.db2.gz BRQFVKWYAPOXMD-VIFPVBQESA-N -1 0 321.355 -0.357 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC001349574487 980487436 /nfs/dbraw/zinc/48/74/36/980487436.db2.gz WBXMQKRRXAPEGW-UHFFFAOYSA-N -1 0 319.268 -0.729 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(C)cc1 ZINC001349712143 980499127 /nfs/dbraw/zinc/49/91/27/980499127.db2.gz RLAISHKTADRXBM-UHFFFAOYSA-N -1 0 307.350 -0.162 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC(C)(C)CCOC ZINC001349725537 980501141 /nfs/dbraw/zinc/50/11/41/980501141.db2.gz INLZKYYZDZEMJF-UHFFFAOYSA-N -1 0 303.359 -0.651 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1c1cc(C)on1 ZINC001349755082 980506112 /nfs/dbraw/zinc/50/61/12/980506112.db2.gz RXFCAHSKWWZXQH-LLVKDONJSA-N -1 0 324.337 -0.170 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC001349754939 980506160 /nfs/dbraw/zinc/50/61/60/980506160.db2.gz QPGWLOQHHQBBGC-UHFFFAOYSA-N -1 0 323.353 -0.700 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(F)F)CC1)C(=O)[O-] ZINC001349952694 980526744 /nfs/dbraw/zinc/52/67/44/980526744.db2.gz UJYJWXFOVIJEKS-YUMQZZPRSA-N -1 0 308.281 -0.294 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@H](C(F)F)CC1)C(=O)[O-] ZINC001349952692 980527433 /nfs/dbraw/zinc/52/74/33/980527433.db2.gz UJYJWXFOVIJEKS-SFYZADRCSA-N -1 0 308.281 -0.294 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001349957997 980527747 /nfs/dbraw/zinc/52/77/47/980527747.db2.gz GOOKAMZADCBRPQ-WHOHXGKFSA-N -1 0 310.350 -0.149 20 0 DBADRM CC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001349970507 980528896 /nfs/dbraw/zinc/52/88/96/980528896.db2.gz KJGOPGNCKIMGPN-XYPYZODXSA-N -1 0 311.382 -0.092 20 0 DBADRM CC[C@@H](O)[C@@H](C)C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001595325661 980533458 /nfs/dbraw/zinc/53/34/58/980533458.db2.gz AIHROPPKPYOFGY-NXEZZACHSA-N -1 0 321.395 -0.068 20 0 DBADRM CC[C@H](O)[C@H](C)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001595325896 980535025 /nfs/dbraw/zinc/53/50/25/980535025.db2.gz CWWGGDZJGKDCSV-RYUDHWBXSA-N -1 0 302.371 -0.361 20 0 DBADRM CC[C@@H](O)[C@H](C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001595327844 980551632 /nfs/dbraw/zinc/55/16/32/980551632.db2.gz XVRLHJYOHJSQBI-KIKITERTSA-N -1 0 307.368 -0.603 20 0 DBADRM CC[C@@H](O)[C@@H](C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001595327845 980551661 /nfs/dbraw/zinc/55/16/61/980551661.db2.gz XVRLHJYOHJSQBI-KZFFXBSXSA-N -1 0 307.368 -0.603 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC001350332641 980561114 /nfs/dbraw/zinc/56/11/14/980561114.db2.gz ULECAEFPJXEOEO-UHFFFAOYSA-N -1 0 310.310 -0.592 20 0 DBADRM CC(C)C(=O)NCCC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001489049352 1014666805 /nfs/dbraw/zinc/66/68/05/1014666805.db2.gz VVKDHAUKQQNNNA-UHFFFAOYSA-N -1 0 323.353 -0.045 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N(OC)[C@@H](C)CC(=O)[O-])nn1 ZINC001595331378 980570657 /nfs/dbraw/zinc/57/06/57/980570657.db2.gz CKKWCQNJZTXGQA-DTWKUNHWSA-N -1 0 300.315 -0.084 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N(OC)[C@@H](C)CC(=O)[O-])nn1 ZINC001595331379 980570769 /nfs/dbraw/zinc/57/07/69/980570769.db2.gz CKKWCQNJZTXGQA-IUCAKERBSA-N -1 0 300.315 -0.084 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001350580711 980585259 /nfs/dbraw/zinc/58/52/59/980585259.db2.gz FPUFWPHOARXXFK-QZGLAHODSA-N -1 0 309.326 -0.627 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001350580709 980585864 /nfs/dbraw/zinc/58/58/64/980585864.db2.gz FPUFWPHOARXXFK-PTDYZRSTSA-N -1 0 309.326 -0.627 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@H](OC)C(=O)[O-])C[C@@H]1C ZINC001350612917 980588355 /nfs/dbraw/zinc/58/83/55/980588355.db2.gz VFBZOXOKFCUJFL-ONGXEEELSA-N -1 0 302.327 -0.818 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)/C=C(/C)CN2CCOCC2)C1 ZINC001350778739 980603183 /nfs/dbraw/zinc/60/31/83/980603183.db2.gz PWHGCEUYIXPOQJ-HMVFGEFZSA-N -1 0 312.366 -0.033 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[C@@]1(C)CC1(F)F ZINC001350877402 980610630 /nfs/dbraw/zinc/61/06/30/980610630.db2.gz DIOFCDCNKGMXIT-NSHDSACASA-N -1 0 307.297 -0.278 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CCO ZINC001350879903 980610972 /nfs/dbraw/zinc/61/09/72/980610972.db2.gz ZKJJANXTOXISEZ-WDEREUQCSA-N -1 0 315.370 -0.820 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)Cc1ccccc1F ZINC001351114217 980626627 /nfs/dbraw/zinc/62/66/27/980626627.db2.gz WVWCXMCZJVTCHK-SECBINFHSA-N -1 0 311.313 -0.333 20 0 DBADRM CCS(=O)(=O)CCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001351214530 980634328 /nfs/dbraw/zinc/63/43/28/980634328.db2.gz BDWNPMCTDNNGJR-UHFFFAOYSA-N -1 0 312.351 -0.423 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC001351500845 980659093 /nfs/dbraw/zinc/65/90/93/980659093.db2.gz DQNTZLSHJXPQJY-JOYOIKCWSA-N -1 0 305.334 -0.375 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001351760669 980687127 /nfs/dbraw/zinc/68/71/27/980687127.db2.gz GAEPDERYAAXIQA-YUMQZZPRSA-N -1 0 309.326 -0.483 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)COCC(F)F)C2)c1[O-] ZINC001530403295 1014681361 /nfs/dbraw/zinc/68/13/61/1014681361.db2.gz XHFALDADQYJTNW-UHFFFAOYSA-N -1 0 318.280 -0.354 20 0 DBADRM O=Cc1c[nH]c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC001352271894 980717046 /nfs/dbraw/zinc/71/70/46/980717046.db2.gz KKDPMQGSIQUPDH-VIFPVBQESA-N -1 0 300.292 -0.849 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCc2nccnc2C1 ZINC001353049166 980772660 /nfs/dbraw/zinc/77/26/60/980772660.db2.gz SNINUUZDBKOVHD-UHFFFAOYSA-N -1 0 306.322 -0.268 20 0 DBADRM C[C@H]1CN(C(=O)NCCOCCOCC(=O)[O-])[C@@H](C)CO1 ZINC001353138686 980781467 /nfs/dbraw/zinc/78/14/67/980781467.db2.gz JTTUXHQAXZDXHW-QWRGUYRKSA-N -1 0 304.343 -0.077 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCN(CC(F)F)CC1 ZINC001353227735 980790721 /nfs/dbraw/zinc/79/07/21/980790721.db2.gz JGIGPJZCIQQRNK-KYZUINATSA-N -1 0 319.308 -0.625 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@H]1[C@H]1CCCOC1 ZINC001353438621 980804253 /nfs/dbraw/zinc/80/42/53/980804253.db2.gz UYGYPHKKXSEKJP-RYUDHWBXSA-N -1 0 307.350 -0.046 20 0 DBADRM CC(C)=CC(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001353543011 980807233 /nfs/dbraw/zinc/80/72/33/980807233.db2.gz OJLYAMWUKMNLSB-ZKCHVHJHSA-N -1 0 307.310 -0.374 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(CCn2cncn2)CC1 ZINC001354083954 980832200 /nfs/dbraw/zinc/83/22/00/980832200.db2.gz SBNOWJBAKGGFNK-LBPRGKRZSA-N -1 0 309.370 -0.221 20 0 DBADRM O=C([O-])C1(C(=O)N[C@H](CO)CN2CCOCC2)CCCC1 ZINC001354081008 980832332 /nfs/dbraw/zinc/83/23/32/980832332.db2.gz LMOMXFSUELNDGD-NSHDSACASA-N -1 0 300.355 -0.559 20 0 DBADRM COCCO[C@H](C)C(=O)N1CC(NC(=O)c2ncccc2O)C1 ZINC001530410867 1014687253 /nfs/dbraw/zinc/68/72/53/1014687253.db2.gz WDVMDBUYXYZZHZ-SNVBAGLBSA-N -1 0 323.349 -0.221 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)/C=C\C1CC1 ZINC001354605357 980861854 /nfs/dbraw/zinc/86/18/54/980861854.db2.gz ZLUPHXFGWOXCOV-LGYSABEFSA-N -1 0 309.326 -0.724 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1cscc1Cl ZINC001354855351 980875367 /nfs/dbraw/zinc/87/53/67/980875367.db2.gz BSHAMJNBCMZFEF-UHFFFAOYSA-N -1 0 305.743 -0.189 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](OCCC(C)C)C1 ZINC001354970383 980880840 /nfs/dbraw/zinc/88/08/40/980880840.db2.gz VPEPVQZRPDXRTA-LLVKDONJSA-N -1 0 315.370 -0.556 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001354967749 980880914 /nfs/dbraw/zinc/88/09/14/980880914.db2.gz LLUOCAAKDWNMSH-LLVKDONJSA-N -1 0 323.324 -0.065 20 0 DBADRM CC/C(C)=C/C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001530426194 1014690257 /nfs/dbraw/zinc/69/02/57/1014690257.db2.gz MWTAKQOOLXDMJV-QPJJXVBHSA-N -1 0 307.310 -0.420 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)/C=C/C1CC1 ZINC001355773531 980909967 /nfs/dbraw/zinc/90/99/67/980909967.db2.gz TYVJZNOWJSQULD-SNAWJCMRSA-N -1 0 307.310 -0.563 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)/C=C/C1CC1 ZINC001356910311 981011998 /nfs/dbraw/zinc/01/19/98/981011998.db2.gz WIXWYXQWCVVBBT-BRAIEQGRSA-N -1 0 323.353 -0.334 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1C(=O)C=C1CCC1 ZINC001358626421 981154614 /nfs/dbraw/zinc/15/46/14/981154614.db2.gz NBDDRGKGCFXBPZ-JTQLQIEISA-N -1 0 321.337 -0.483 20 0 DBADRM CO[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC001361458174 981236378 /nfs/dbraw/zinc/23/63/78/981236378.db2.gz VMKAJBTZBCWBBY-GXSJLCMTSA-N -1 0 305.338 -0.045 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@H](n2cncn2)C1 ZINC001361519620 981249162 /nfs/dbraw/zinc/24/91/62/981249162.db2.gz QGGDXMSCFMPVFJ-VIFPVBQESA-N -1 0 314.309 -0.864 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC001361571651 981263801 /nfs/dbraw/zinc/26/38/01/981263801.db2.gz YUPBTMKTGCKDAN-UHFFFAOYSA-N -1 0 301.310 -0.485 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001361581782 981264907 /nfs/dbraw/zinc/26/49/07/981264907.db2.gz LXZCFTFSWNZUHQ-MWLCHTKSSA-N -1 0 321.337 -0.761 20 0 DBADRM O=C(CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)NC1CC1 ZINC001361603324 981270436 /nfs/dbraw/zinc/27/04/36/981270436.db2.gz SSJLEUDIYSBQBU-UHFFFAOYSA-N -1 0 317.305 -0.725 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCC(=O)NC1CCCC1 ZINC001361613514 981274510 /nfs/dbraw/zinc/27/45/10/981274510.db2.gz ZDZUTGNVLVNVFP-UHFFFAOYSA-N -1 0 311.342 -0.356 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001361687229 981297745 /nfs/dbraw/zinc/29/77/45/981297745.db2.gz LFVNEXBLFSHALJ-VIFPVBQESA-N -1 0 313.335 -0.159 20 0 DBADRM CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CCc1nnn[n-]1 ZINC001361708963 981303300 /nfs/dbraw/zinc/30/33/00/981303300.db2.gz XCHNORNOAWZDBK-QMMMGPOBSA-N -1 0 312.399 -0.052 20 0 DBADRM CN(C)c1nc(CCNC(=O)Cn2c(=O)[n-][nH]c2=O)cs1 ZINC001361727591 981306885 /nfs/dbraw/zinc/30/68/85/981306885.db2.gz DSOMTXUFNNBDRW-UHFFFAOYSA-N -1 0 312.355 -0.429 20 0 DBADRM CC1(C)C(=O)NCCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001361744260 981309417 /nfs/dbraw/zinc/30/94/17/981309417.db2.gz KMROKRHCZTZOQQ-UHFFFAOYSA-N -1 0 315.337 -0.575 20 0 DBADRM O=C(CCc1nnn[n-]1)Nc1cnn(CCN2CCOCC2)c1 ZINC001361770630 981319099 /nfs/dbraw/zinc/31/90/99/981319099.db2.gz YCKBWGOPMBPICR-UHFFFAOYSA-N -1 0 320.357 -0.700 20 0 DBADRM O=C(NC[C@@H]1CCCNC1=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001361779661 981320385 /nfs/dbraw/zinc/32/03/85/981320385.db2.gz AZYHCBUOMKCZAT-ZETCQYMHSA-N -1 0 317.305 -0.308 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1=O ZINC001361783583 981321772 /nfs/dbraw/zinc/32/17/72/981321772.db2.gz VFKILUXELHHCLO-UHFFFAOYSA-N -1 0 302.356 -0.721 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)c2c[n-]ncc2=O)CC1 ZINC001361786017 981323139 /nfs/dbraw/zinc/32/31/39/981323139.db2.gz YWAHEYFYUCRCDP-UHFFFAOYSA-N -1 0 300.340 -0.664 20 0 DBADRM O=C(C[C@H]1CCCS1(=O)=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001361785144 981323511 /nfs/dbraw/zinc/32/35/11/981323511.db2.gz RPTFVVATQHVSOP-BDAKNGLRSA-N -1 0 315.355 -0.933 20 0 DBADRM O=C(C[C@H]1CCCS1(=O)=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001361785153 981324003 /nfs/dbraw/zinc/32/40/03/981324003.db2.gz RPTFVVATQHVSOP-RKDXNWHRSA-N -1 0 315.355 -0.933 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)N(C)c2nnn[n-]2)CC1 ZINC001361799779 981327695 /nfs/dbraw/zinc/32/76/95/981327695.db2.gz BXSHWVNHLDBMLE-UHFFFAOYSA-N -1 0 302.360 -0.776 20 0 DBADRM O=C(NCc1n[nH]cc1Br)c1n[nH]c(=O)[n-]c1=O ZINC001361810123 981331527 /nfs/dbraw/zinc/33/15/27/981331527.db2.gz RPKLZDDIHMHLHR-UHFFFAOYSA-N -1 0 315.087 -0.302 20 0 DBADRM CCOC(=O)N1CCC(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001361847161 981339707 /nfs/dbraw/zinc/33/97/07/981339707.db2.gz UBULLRRNTNOWAC-UHFFFAOYSA-N -1 0 313.314 -0.574 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cccc(N2CCNC2=O)c1 ZINC001361847561 981341164 /nfs/dbraw/zinc/34/11/64/981341164.db2.gz QXFYWUUWRUHFQO-UHFFFAOYSA-N -1 0 318.293 -0.142 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(c2cccc(O)c2)CC1 ZINC001361878902 981347503 /nfs/dbraw/zinc/34/75/03/981347503.db2.gz UAOCBBARIBVPQC-UHFFFAOYSA-N -1 0 319.321 -0.256 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC001361879187 981348177 /nfs/dbraw/zinc/34/81/77/981348177.db2.gz GWJGKWYADOXSSQ-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM CN(C(=O)c1c[n-]n2c1nccc2=O)[C@@H]1CCCCNC1=O ZINC001361883991 981348826 /nfs/dbraw/zinc/34/88/26/981348826.db2.gz UBRPMSRVOHCIIH-SNVBAGLBSA-N -1 0 303.322 -0.237 20 0 DBADRM CNS(=O)(=O)c1cccc(CNC(=O)CCc2nnn[n-]2)c1 ZINC001361914602 981357639 /nfs/dbraw/zinc/35/76/39/981357639.db2.gz UTCFKMXNBIOHAL-UHFFFAOYSA-N -1 0 324.366 -0.643 20 0 DBADRM Cc1cnc(N2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)s1 ZINC001361917418 981360032 /nfs/dbraw/zinc/36/00/32/981360032.db2.gz MJFATOSUFRBJPR-UHFFFAOYSA-N -1 0 324.366 -0.197 20 0 DBADRM C[C@H](O)c1ncc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)s1 ZINC001361920774 981360399 /nfs/dbraw/zinc/36/03/99/981360399.db2.gz AZJPPIAZIJCULN-BQBZGAKWSA-N -1 0 310.339 -0.077 20 0 DBADRM CC1(C)OCC(C)(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CO1 ZINC001361921615 981361579 /nfs/dbraw/zinc/36/15/79/981361579.db2.gz FUYKHSWWFFCTGJ-SECBINFHSA-N -1 0 311.342 -0.111 20 0 DBADRM CC(C)n1cnnc1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001361927914 981364315 /nfs/dbraw/zinc/36/43/15/981364315.db2.gz JPMOCZRMBVRGAE-UHFFFAOYSA-N -1 0 316.325 -0.440 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCO[C@H](C(N)=O)C2)cc1=O ZINC001361940596 981366644 /nfs/dbraw/zinc/36/66/44/981366644.db2.gz BNJZCOIKUOIOBZ-NSHDSACASA-N -1 0 310.354 -0.912 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC(=O)Nc2cnccc21 ZINC001361953185 981370586 /nfs/dbraw/zinc/37/05/86/981370586.db2.gz XFEPIBNKTLZPBG-UHFFFAOYSA-N -1 0 318.293 -0.150 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001361960494 981372917 /nfs/dbraw/zinc/37/29/17/981372917.db2.gz GUUQTALOIGEWNM-SSDOTTSWSA-N -1 0 306.344 -0.981 20 0 DBADRM COC[C@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CCO1 ZINC001361985539 981379737 /nfs/dbraw/zinc/37/97/37/981379737.db2.gz XLJZWHNDCXKSCH-SECBINFHSA-N -1 0 300.315 -0.657 20 0 DBADRM O=C(CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1cccc(F)c1 ZINC001361996759 981382680 /nfs/dbraw/zinc/38/26/80/981382680.db2.gz SVCJGWMYFUHZEO-UHFFFAOYSA-N -1 0 309.257 -0.417 20 0 DBADRM CNC(=O)c1cc(C)ccc1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362001598 981383899 /nfs/dbraw/zinc/38/38/99/981383899.db2.gz BLHHYMBWXZIEJX-UHFFFAOYSA-N -1 0 305.294 -0.004 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C2 ZINC001362008316 981386098 /nfs/dbraw/zinc/38/60/98/981386098.db2.gz IKIHAHPWDSBCAE-UHFFFAOYSA-N -1 0 307.314 -0.588 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001362016820 981387309 /nfs/dbraw/zinc/38/73/09/981387309.db2.gz LTMAIGYRPMSKRY-QMMMGPOBSA-N -1 0 307.262 -0.058 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC001362026184 981390694 /nfs/dbraw/zinc/39/06/94/981390694.db2.gz VTDLUJQJUAYBMB-SECBINFHSA-N -1 0 310.383 -0.440 20 0 DBADRM COCC1(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)CC1 ZINC001530538551 1014731508 /nfs/dbraw/zinc/73/15/08/1014731508.db2.gz QADVHWHZYLVDJL-UHFFFAOYSA-N -1 0 308.338 -0.209 20 0 DBADRM O=C(c1cc2n(n1)CCC[C@@H]2O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362058578 981403190 /nfs/dbraw/zinc/40/31/90/981403190.db2.gz CLDHXRRCKUODJQ-WDEREUQCSA-N -1 0 319.325 -0.563 20 0 DBADRM C[C@@H](C(=O)NCc1n[nH]c(=O)[n-]1)S(=O)(=O)C1CCOCC1 ZINC001362060097 981404551 /nfs/dbraw/zinc/40/45/51/981404551.db2.gz ASVNMQJQPPGONU-ZETCQYMHSA-N -1 0 318.355 -0.891 20 0 DBADRM Cc1nc(N)nc(C)c1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362059998 981405039 /nfs/dbraw/zinc/40/50/39/981405039.db2.gz IAEQZRFQLXXXFW-MRVPVSSYSA-N -1 0 304.314 -0.598 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC[C@H](O)C3)cc2=O)n1 ZINC001362062478 981406049 /nfs/dbraw/zinc/40/60/49/981406049.db2.gz IXIBPFHILSSJMC-JTQLQIEISA-N -1 0 303.322 -0.221 20 0 DBADRM CC[C@@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C(=O)OC ZINC001362062062 981406743 /nfs/dbraw/zinc/40/67/43/981406743.db2.gz JDJOGPQBRMFTNS-SNVBAGLBSA-N -1 0 304.310 -0.244 20 0 DBADRM NC(=O)[C@@H](CNC(=O)CCc1nnn[n-]1)Cc1ccc(F)cc1 ZINC001362081061 981412052 /nfs/dbraw/zinc/41/20/52/981412052.db2.gz WJKPZSMVEMMMOI-SNVBAGLBSA-N -1 0 320.328 -0.268 20 0 DBADRM COc1ccnc(OC)c1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362093419 981416493 /nfs/dbraw/zinc/41/64/93/981416493.db2.gz XXGLHWVUKKPJJV-VIFPVBQESA-N -1 0 320.309 -0.174 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC001362104773 981422942 /nfs/dbraw/zinc/42/29/42/981422942.db2.gz HCCUFWLDQRTHBF-UHFFFAOYSA-N -1 0 324.318 -0.342 20 0 DBADRM CN(C)Cc1nc(C(C)(C)NC(=O)CCc2nnn[n-]2)no1 ZINC001362108141 981423104 /nfs/dbraw/zinc/42/31/04/981423104.db2.gz JTUYAMDHQHHYBS-UHFFFAOYSA-N -1 0 308.346 -0.372 20 0 DBADRM O=C(CCNC(=O)CCc1nnn[n-]1)NCc1cccnc1 ZINC001362113542 981425749 /nfs/dbraw/zinc/42/57/49/981425749.db2.gz NHBYRIHCMFQBRU-UHFFFAOYSA-N -1 0 303.326 -0.650 20 0 DBADRM O=C(Cc1nnc(C2CC2)[nH]1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362127097 981431176 /nfs/dbraw/zinc/43/11/76/981431176.db2.gz VIXBMBHOAWBVQE-MRVPVSSYSA-N -1 0 304.314 -0.662 20 0 DBADRM Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362167689 981447274 /nfs/dbraw/zinc/44/72/74/981447274.db2.gz QTVXVAYANRKYJZ-SECBINFHSA-N -1 0 322.325 -0.371 20 0 DBADRM CC1(CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)OCCO1 ZINC001362179752 981450306 /nfs/dbraw/zinc/45/03/06/981450306.db2.gz KPTDXJDFVRQNCJ-UHFFFAOYSA-N -1 0 320.305 -0.241 20 0 DBADRM CC[S@@](=O)CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362181572 981450968 /nfs/dbraw/zinc/45/09/68/981450968.db2.gz TWTRHWOOJVZOSE-OAQYLSRUSA-N -1 0 308.367 -0.427 20 0 DBADRM NC(=O)COc1cccc(CNC(=O)c2cc(=O)[nH]cn2)c1 ZINC001362188488 981452956 /nfs/dbraw/zinc/45/29/56/981452956.db2.gz LHJYALIMFFKFHG-UHFFFAOYSA-N -1 0 302.290 -0.024 20 0 DBADRM CC(C)(CNC(=O)CSc1n[nH]c(=O)[n-]1)S(C)(=O)=O ZINC001362187609 981453279 /nfs/dbraw/zinc/45/32/79/981453279.db2.gz MFZUBIVKEDWRPY-UHFFFAOYSA-N -1 0 308.385 -0.458 20 0 DBADRM O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)c1c[n-]ncc1=O ZINC001362194347 981456259 /nfs/dbraw/zinc/45/62/59/981456259.db2.gz NLCFUMRIBPVYCZ-MRVPVSSYSA-N -1 0 323.334 -0.009 20 0 DBADRM O=C(Nc1ccc(OCc2nnn[n-]2)cc1)[C@@H]1COC(=O)N1 ZINC001362193887 981456850 /nfs/dbraw/zinc/45/68/50/981456850.db2.gz ADEWICJOGIMLDF-VIFPVBQESA-N -1 0 304.266 -0.174 20 0 DBADRM CC(C)N1C[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1=O ZINC001362200861 981457973 /nfs/dbraw/zinc/45/79/73/981457973.db2.gz AFPWBYIFNBWEKT-SECBINFHSA-N -1 0 311.342 -0.405 20 0 DBADRM O=C(NCC1(CO)COC1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362202474 981459919 /nfs/dbraw/zinc/45/99/19/981459919.db2.gz YSZZGRNNNMZPPD-UHFFFAOYSA-N -1 0 320.305 -0.995 20 0 DBADRM CN(CCc1ccccn1)C(=O)CNC(=O)CCc1nnn[n-]1 ZINC001362217340 981465905 /nfs/dbraw/zinc/46/59/05/981465905.db2.gz WMKZXDLFVQXMQC-UHFFFAOYSA-N -1 0 317.353 -0.655 20 0 DBADRM COC(=O)[C@H](COC1CCC1)N(C)C(=O)CCc1nnn[n-]1 ZINC001362244157 981478258 /nfs/dbraw/zinc/47/82/58/981478258.db2.gz OHSRQTKHUNVNKH-JTQLQIEISA-N -1 0 311.342 -0.299 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)nn1 ZINC001362298100 981502810 /nfs/dbraw/zinc/50/28/10/981502810.db2.gz HCTWXXIGRKIYEF-DTWKUNHWSA-N -1 0 308.346 -0.562 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001362298805 981504133 /nfs/dbraw/zinc/50/41/33/981504133.db2.gz TUJWQZKVWQLZRB-NXEZZACHSA-N -1 0 323.353 -0.261 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H](c1cncn1C)N(C)C)c1nnn[n-]1 ZINC001362303021 981505904 /nfs/dbraw/zinc/50/59/04/981505904.db2.gz VCVKICNECDPNPH-MWLCHTKSSA-N -1 0 306.374 -0.202 20 0 DBADRM Cn1c2sc(C(=O)[N-]N3CCCC3=O)cc2c(=O)n(C)c1=O ZINC001362304893 981506066 /nfs/dbraw/zinc/50/60/66/981506066.db2.gz BNUYOWSJFKOKCT-UHFFFAOYSA-N -1 0 322.346 -0.434 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@]12CCCO2 ZINC001362323047 981513538 /nfs/dbraw/zinc/51/35/38/981513538.db2.gz HDRCUZWKJSTBCQ-KKFJDGPESA-N -1 0 312.326 -0.468 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@H]1COCCN1CC(F)(F)F ZINC001362344933 981522144 /nfs/dbraw/zinc/52/21/44/981522144.db2.gz BFSCKMKBPGFYML-ZCFIWIBFSA-N -1 0 310.232 -0.758 20 0 DBADRM CC1(C)CO[C@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC001362345485 981523902 /nfs/dbraw/zinc/52/39/02/981523902.db2.gz GZKUQERTLWANQZ-SECBINFHSA-N -1 0 306.384 -0.226 20 0 DBADRM CC(=O)OC[C@H](CO)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001362350680 981524984 /nfs/dbraw/zinc/52/49/84/981524984.db2.gz TWMFSVHUFOGMEZ-LBPRGKRZSA-N -1 0 313.354 -0.585 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362353247 981526526 /nfs/dbraw/zinc/52/65/26/981526526.db2.gz WJPLPRRPGTXDCZ-ZCAPAMDOSA-N -1 0 324.362 -0.237 20 0 DBADRM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001362354435 981528362 /nfs/dbraw/zinc/52/83/62/981528362.db2.gz JNJHCLPUMMJBRR-KOLCDFICSA-N -1 0 320.305 -0.839 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC[S@](=O)C1 ZINC001362356814 981529868 /nfs/dbraw/zinc/52/98/68/981529868.db2.gz NAFHCFJGDWABCR-CLTRCRFRSA-N -1 0 323.378 -0.702 20 0 DBADRM C[C@@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@H](CO)O1 ZINC001362361250 981531317 /nfs/dbraw/zinc/53/13/17/981531317.db2.gz GQQADGJMQLAUSI-BXKDBHETSA-N -1 0 318.337 -0.703 20 0 DBADRM O=C([C@H]1CCc2nncn2C1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362365106 981532702 /nfs/dbraw/zinc/53/27/02/981532702.db2.gz FUWFUZMHDKJUBA-IUCAKERBSA-N -1 0 320.382 -0.330 20 0 DBADRM CNc1cnc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)cn1 ZINC001362366789 981533213 /nfs/dbraw/zinc/53/32/13/981533213.db2.gz LSBGKJZKYCFFJT-MRVPVSSYSA-N -1 0 306.355 -0.038 20 0 DBADRM COC(=O)[C@H]1COCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362380514 981538755 /nfs/dbraw/zinc/53/87/55/981538755.db2.gz VGXKPKIRRZUCBZ-ZCFIWIBFSA-N -1 0 302.312 -0.997 20 0 DBADRM O=C(c1ccc(CO)nc1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362389586 981542899 /nfs/dbraw/zinc/54/28/99/981542899.db2.gz QZXYHRRNPACFJU-UHFFFAOYSA-N -1 0 304.310 -0.789 20 0 DBADRM CC(C)C(=O)N1CCC(C(=O)NCCc2nc(=O)o[n-]2)CC1 ZINC001362404150 981550951 /nfs/dbraw/zinc/55/09/51/981550951.db2.gz YJOCCIJKOAXBEJ-UHFFFAOYSA-N -1 0 310.354 -0.084 20 0 DBADRM CCO[C@@H]1C[C@@](O)(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1(C)C ZINC001362411642 981557826 /nfs/dbraw/zinc/55/78/26/981557826.db2.gz IYWITYYBKGVJHO-AMIZOPFISA-N -1 0 314.342 -0.628 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H](N2CCOCC2)C1 ZINC001362451782 981577978 /nfs/dbraw/zinc/57/79/78/981577978.db2.gz CDFCXGUWJGERIW-JTQLQIEISA-N -1 0 311.342 -0.988 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@]1(C)CCCS1(=O)=O)c1nnn[n-]1 ZINC001362457778 981579932 /nfs/dbraw/zinc/57/99/32/981579932.db2.gz WZURMHUSUDIFKA-GZMMTYOYSA-N -1 0 301.372 -0.271 20 0 DBADRM C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1cnccn1 ZINC001362464802 981582582 /nfs/dbraw/zinc/58/25/82/981582582.db2.gz GBXTWNBSOFCJQZ-QMMMGPOBSA-N -1 0 300.340 -0.838 20 0 DBADRM COC(=O)[C@](C)(O)CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001362462120 981582912 /nfs/dbraw/zinc/58/29/12/981582912.db2.gz KWHGJMVGMJIXIO-CQSZACIVSA-N -1 0 313.354 -0.585 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1c[n-]ncc1=O ZINC001362469899 981587149 /nfs/dbraw/zinc/58/71/49/981587149.db2.gz VWCFSGFPDFKQLF-PSASIEDQSA-N -1 0 314.367 -0.370 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccn2nccc12 ZINC001362471373 981588513 /nfs/dbraw/zinc/58/85/13/981588513.db2.gz XTBSLOSFFDBLRD-UHFFFAOYSA-N -1 0 310.335 -0.470 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001362481370 981593975 /nfs/dbraw/zinc/59/39/75/981593975.db2.gz RWOMFRUOIPQXAE-QMMMGPOBSA-N -1 0 303.326 -0.142 20 0 DBADRM CCN1CC[C@H](n2nnnc2N2CC[C@H](C(=O)[O-])[C@@H]2C)C1=O ZINC001596415221 1017140566 /nfs/dbraw/zinc/14/05/66/1017140566.db2.gz MUABOPUDAZTVSM-GUBZILKMSA-N -1 0 308.342 -0.234 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001362487355 981596072 /nfs/dbraw/zinc/59/60/72/981596072.db2.gz MCJPADIQVLUGNQ-SECBINFHSA-N -1 0 318.337 -0.563 20 0 DBADRM Cn1[n-]c(C(=O)NCCS(=O)(=O)C2CCOCC2)cc1=O ZINC001362493764 981598649 /nfs/dbraw/zinc/59/86/49/981598649.db2.gz ZWMSSWACLSBYJG-UHFFFAOYSA-N -1 0 317.367 -0.551 20 0 DBADRM CC(=O)N1CCC[C@H](CNC(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001362497520 981600286 /nfs/dbraw/zinc/60/02/86/981600286.db2.gz NRUGILQWLXIKHT-SECBINFHSA-N -1 0 313.383 -0.023 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001362495673 981600887 /nfs/dbraw/zinc/60/08/87/981600887.db2.gz IQUIUALIIIFDFW-UHFFFAOYSA-N -1 0 310.335 -0.670 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC(F)(F)C[C@@H]1CO ZINC001362498141 981602756 /nfs/dbraw/zinc/60/27/56/981602756.db2.gz CZIZGYLSRYLSLK-SSDOTTSWSA-N -1 0 306.269 -0.302 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2Cc3cncnc3C2)c1 ZINC001362500535 981603945 /nfs/dbraw/zinc/60/39/45/981603945.db2.gz ZRNLOGYXGNWBFJ-UHFFFAOYSA-N -1 0 320.330 -0.014 20 0 DBADRM CCO[C@H]1C[C@@](CO)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1(C)C ZINC001362502542 981604077 /nfs/dbraw/zinc/60/40/77/981604077.db2.gz VQBDZABSGAJCFD-SDBXPKJASA-N -1 0 314.342 -0.628 20 0 DBADRM O=C(CCc1nnn[n-]1)NC[C@H](O)COc1cccc(F)c1 ZINC001362504804 981605849 /nfs/dbraw/zinc/60/58/49/981605849.db2.gz IZPBMZKBAOVSQW-JTQLQIEISA-N -1 0 309.301 -0.173 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1C[C@@H](O)CC(F)(F)C1 ZINC001362514335 981612283 /nfs/dbraw/zinc/61/22/83/981612283.db2.gz BRUPMMWWQHLISF-ZETCQYMHSA-N -1 0 306.269 -0.302 20 0 DBADRM NC(=O)N1CCC[C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001362522300 981621077 /nfs/dbraw/zinc/62/10/77/981621077.db2.gz ZYYADIUJDYORRU-VIFPVBQESA-N -1 0 318.337 -0.457 20 0 DBADRM CNC(=O)N[C@@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001362526160 981624129 /nfs/dbraw/zinc/62/41/29/981624129.db2.gz HLAUDHKNOKBQND-ZCFIWIBFSA-N -1 0 300.344 -0.868 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)C2=NN(CCO)C(=O)CC2)[n-]1 ZINC001362537676 981643936 /nfs/dbraw/zinc/64/39/36/981643936.db2.gz YXTJLYWUHDMRBK-UHFFFAOYSA-N -1 0 323.309 -0.504 20 0 DBADRM Cn1[n-]c(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)cc1=O ZINC001362539772 981647979 /nfs/dbraw/zinc/64/79/79/981647979.db2.gz ZVCCTGPAXNBHDU-ZJUUUORDSA-N -1 0 315.351 -0.846 20 0 DBADRM Cn1[n-]c(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)cc1=O ZINC001362539769 981649558 /nfs/dbraw/zinc/64/95/58/981649558.db2.gz ZVCCTGPAXNBHDU-VHSXEESVSA-N -1 0 315.351 -0.846 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001489321280 1014754202 /nfs/dbraw/zinc/75/42/02/1014754202.db2.gz DLVLEFQTYQMCTA-UFUMDNBCSA-N -1 0 308.338 -0.309 20 0 DBADRM CO[C@H](C(=O)N1CCC(O)(c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001362563835 981687368 /nfs/dbraw/zinc/68/73/68/981687368.db2.gz VHUUTIBKHAFZLA-JTQLQIEISA-N -1 0 321.341 -0.869 20 0 DBADRM CCN1C[C@@H](NS(=O)(=O)c2csnc2C(=O)[O-])CC1=O ZINC001596403415 1017140690 /nfs/dbraw/zinc/14/06/90/1017140690.db2.gz XDGOFFHHLRGHEB-LURJTMIESA-N -1 0 319.364 -0.260 20 0 DBADRM CNc1ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)s1 ZINC001362567525 981697761 /nfs/dbraw/zinc/69/77/61/981697761.db2.gz LQUMXOFPXSBRCT-UHFFFAOYSA-N -1 0 306.369 -0.620 20 0 DBADRM O=C(C[C@@H]1CCNC1=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001362584453 981726168 /nfs/dbraw/zinc/72/61/68/981726168.db2.gz XICFUBIHDIWZLX-QMMMGPOBSA-N -1 0 302.294 -0.167 20 0 DBADRM CCOC1CC(O)(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001362587660 981728419 /nfs/dbraw/zinc/72/84/19/981728419.db2.gz RVYHXUNDCSYATH-UHFFFAOYSA-N -1 0 314.342 -0.484 20 0 DBADRM O=C(CCc1nnn[n-]1)NCc1cnc(N2CCOCC2)s1 ZINC001362591559 981733685 /nfs/dbraw/zinc/73/36/85/981733685.db2.gz MBJNXXVKBUZZQQ-UHFFFAOYSA-N -1 0 323.382 -0.258 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CNC(=O)c1ccc(F)cc1 ZINC001362601878 981742373 /nfs/dbraw/zinc/74/23/73/981742373.db2.gz DABKMGHMNHFRTE-UHFFFAOYSA-N -1 0 308.269 -0.110 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCc2c1cnn2CCO ZINC001362601905 981742959 /nfs/dbraw/zinc/74/29/59/981742959.db2.gz PDXHMXQRWRUVIJ-SECBINFHSA-N -1 0 322.325 -0.928 20 0 DBADRM NS(=O)(=O)c1sccc1C(=O)[N-]N1CCCNC1=O ZINC001362609850 981755075 /nfs/dbraw/zinc/75/50/75/981755075.db2.gz WOOLLBLQPNZTAC-UHFFFAOYSA-N -1 0 304.353 -0.544 20 0 DBADRM COC(=O)[C@@H]1CCCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362632016 981777192 /nfs/dbraw/zinc/77/71/92/981777192.db2.gz JLHWZXMSIYQDLN-NSHDSACASA-N -1 0 316.321 -0.148 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC001362645337 981791321 /nfs/dbraw/zinc/79/13/21/981791321.db2.gz RNUIQVNVQZYUKN-NJGYIYPDSA-N -1 0 308.216 -0.189 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](O)Cc1ccccc1 ZINC001362646280 981795882 /nfs/dbraw/zinc/79/58/82/981795882.db2.gz DZRFFJMELVXJCP-GXSJLCMTSA-N -1 0 306.322 -0.202 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(N2CCCNC2=O)CC1 ZINC001362652669 981800499 /nfs/dbraw/zinc/80/04/99/981800499.db2.gz WPTFLGCPPXHPET-UHFFFAOYSA-N -1 0 324.341 -0.904 20 0 DBADRM CCOC(=O)C[C@@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362656543 981802267 /nfs/dbraw/zinc/80/22/67/981802267.db2.gz YHLOJGRSAXFHNG-MRVPVSSYSA-N -1 0 300.315 -0.073 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001362659282 981804125 /nfs/dbraw/zinc/80/41/25/981804125.db2.gz ABVURTIAQKZLJL-LLVKDONJSA-N -1 0 321.385 -0.071 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC001362670292 981810161 /nfs/dbraw/zinc/81/01/61/981810161.db2.gz PMOORJGGBRVRLO-SECBINFHSA-N -1 0 309.326 -0.840 20 0 DBADRM CNS(=O)(=O)CCNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001362671885 981810315 /nfs/dbraw/zinc/81/03/15/981810315.db2.gz MFWHIACJNLJJQR-UHFFFAOYSA-N -1 0 318.399 -0.960 20 0 DBADRM O=C([C@H]1CCNC(=O)CC1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362675044 981812035 /nfs/dbraw/zinc/81/20/35/981812035.db2.gz VHOWIPQGTVMTKA-BDAKNGLRSA-N -1 0 310.383 -0.268 20 0 DBADRM C[C@H](c1ccccc1)[C@H](CO)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362680764 981815195 /nfs/dbraw/zinc/81/51/95/981815195.db2.gz OBNLTMVRRLHLFV-KOLCDFICSA-N -1 0 306.322 -0.030 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1ncc(Br)cn1 ZINC001362683078 981816785 /nfs/dbraw/zinc/81/67/85/981816785.db2.gz MVXMHXKLKWOAMM-UHFFFAOYSA-N -1 0 300.072 -0.155 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCN([C@H]3CCOC3=O)CC2)c1[O-] ZINC001362682480 981816909 /nfs/dbraw/zinc/81/69/09/981816909.db2.gz KXKVFVCKEQMKAO-JTQLQIEISA-N -1 0 308.338 -0.067 20 0 DBADRM CSCC[C@H](NC(=O)C1=C2CCCN=C2NN1)c1nnn[n-]1 ZINC001362684039 981816937 /nfs/dbraw/zinc/81/69/37/981816937.db2.gz VLMMWMRWSNSOIM-QMMMGPOBSA-N -1 0 322.398 -0.336 20 0 DBADRM CC(C)(c1nnc(C(=O)[N-]N2CCCC2=O)o1)S(C)(=O)=O ZINC001362686473 981817683 /nfs/dbraw/zinc/81/76/83/981817683.db2.gz KIBBMLMYZKMNRG-UHFFFAOYSA-N -1 0 316.339 -0.384 20 0 DBADRM O=C(CN1CCOC1=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001362712581 981839182 /nfs/dbraw/zinc/83/91/82/981839182.db2.gz IOEGXHJPLTXHIA-NSHDSACASA-N -1 0 302.294 -0.143 20 0 DBADRM O=C(NC1CC(CO)(CO)C1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001362722197 981847925 /nfs/dbraw/zinc/84/79/25/981847925.db2.gz NLZLCWPJNWZWPG-UHFFFAOYSA-N -1 0 319.317 -0.107 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n(C)c1=O ZINC001362727677 981851344 /nfs/dbraw/zinc/85/13/44/981851344.db2.gz VJFYTFWDSVPLMK-QMMMGPOBSA-N -1 0 306.326 -0.433 20 0 DBADRM COc1cnc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c(F)c1 ZINC001362727455 981851506 /nfs/dbraw/zinc/85/15/06/981851506.db2.gz RMUKEVRDHQNABV-UHFFFAOYSA-N -1 0 322.300 -0.134 20 0 DBADRM NC(=O)[C@H]1CCC[C@@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC001362733144 981854354 /nfs/dbraw/zinc/85/43/54/981854354.db2.gz VMDSCVYRRSGYQC-VHSXEESVSA-N -1 0 322.369 -0.699 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@H](O)c1ccncc1 ZINC001362731769 981854461 /nfs/dbraw/zinc/85/44/61/981854461.db2.gz TVUPKCNVCSHYMQ-JTQLQIEISA-N -1 0 307.310 -0.286 20 0 DBADRM Cn1cc([C@@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)CCO2)cn1 ZINC001362759001 981869547 /nfs/dbraw/zinc/86/95/47/981869547.db2.gz JCLKGQKDTAXHBC-BDAKNGLRSA-N -1 0 320.309 -0.334 20 0 DBADRM Cn1cc([C@H]2C[C@@H](NC(=O)CCc3nnn[n-]3)CCO2)cn1 ZINC001362758885 981869739 /nfs/dbraw/zinc/86/97/39/981869739.db2.gz IIBULIWNGODTCQ-WDEREUQCSA-N -1 0 305.342 -0.098 20 0 DBADRM CC(C)(CN1CCOCC1)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362762427 981871643 /nfs/dbraw/zinc/87/16/43/981871643.db2.gz QDSSSXCVXKZPSY-UHFFFAOYSA-N -1 0 315.399 -0.171 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@H]2c2nnn[n-]2)C1 ZINC001362761976 981872550 /nfs/dbraw/zinc/87/25/50/981872550.db2.gz RALQLNGOPGJHRO-IVZWLZJFSA-N -1 0 309.326 -0.311 20 0 DBADRM Cn1ccnc1[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001362760886 981872568 /nfs/dbraw/zinc/87/25/68/981872568.db2.gz QXSVOZLHKANNEB-SECBINFHSA-N -1 0 306.326 -0.171 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](CO)CC1CCOCC1 ZINC001362775929 981880804 /nfs/dbraw/zinc/88/08/04/981880804.db2.gz SEOHQMMRMBUGNG-SNVBAGLBSA-N -1 0 314.342 -0.769 20 0 DBADRM COC(=O)[C@H](CF)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362783906 981883826 /nfs/dbraw/zinc/88/38/26/981883826.db2.gz XRQUTXIZKTYXQI-VIFPVBQESA-N -1 0 308.273 -0.684 20 0 DBADRM O=C(NC[C@@H]1CC2(CO1)CCOCC2)c1n[nH]c(=O)[n-]c1=O ZINC001362793365 981891581 /nfs/dbraw/zinc/89/15/81/981891581.db2.gz YRIUSGMNFYFRBC-QMMMGPOBSA-N -1 0 310.310 -0.402 20 0 DBADRM O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCC(c2nnn[n-]2)CC1 ZINC001362796373 981893703 /nfs/dbraw/zinc/89/37/03/981893703.db2.gz SDOWWCHBUPFFAN-SECBINFHSA-N -1 0 311.367 -0.146 20 0 DBADRM CN(CC(=O)NCc1ccccc1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362799902 981895420 /nfs/dbraw/zinc/89/54/20/981895420.db2.gz WYTVYQRIRVCBQA-UHFFFAOYSA-N -1 0 319.321 -0.536 20 0 DBADRM CCC(=O)N1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001362798599 981895832 /nfs/dbraw/zinc/89/58/32/981895832.db2.gz JPBGJQKZVUIOCC-UHFFFAOYSA-N -1 0 315.337 -0.273 20 0 DBADRM O=C(c1cc2n(n1)CCC[C@H]2O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001362805193 981899046 /nfs/dbraw/zinc/89/90/46/981899046.db2.gz GHMSEFRGRDQUGM-LDYMZIIASA-N -1 0 303.326 -0.147 20 0 DBADRM O=C([C@H]1CCCN1c1ncccn1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001362804035 981899139 /nfs/dbraw/zinc/89/91/39/981899139.db2.gz BBAMETPQUZJOPA-GHMZBOCLSA-N -1 0 314.353 -0.025 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)CCCc2nnn[n-]2)cc1C ZINC001362808835 981903009 /nfs/dbraw/zinc/90/30/09/981903009.db2.gz PJOPZICGFQZTOW-UHFFFAOYSA-N -1 0 306.330 -0.588 20 0 DBADRM CN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)Cc2cccnc21 ZINC001362812920 981907924 /nfs/dbraw/zinc/90/79/24/981907924.db2.gz ZYZHCINTUUUMMO-UHFFFAOYSA-N -1 0 302.294 -0.230 20 0 DBADRM COC[C@@H](CO)NC(=O)c1nc[n-]c(=O)c1Br ZINC001362815770 981910162 /nfs/dbraw/zinc/91/01/62/981910162.db2.gz FPROQXHOJQECHE-RXMQYKEDSA-N -1 0 306.116 -0.318 20 0 DBADRM CN(CCC(N)=O)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362814927 981910523 /nfs/dbraw/zinc/91/05/23/981910523.db2.gz XEIXEJBXHUKWEX-UHFFFAOYSA-N -1 0 305.294 -0.786 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC001362820028 981914570 /nfs/dbraw/zinc/91/45/70/981914570.db2.gz POBMXYHWSVQXEW-HTQZYQBOSA-N -1 0 311.367 -0.128 20 0 DBADRM O=C(CCNC(=O)c1ccco1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001362819937 981915197 /nfs/dbraw/zinc/91/51/97/981915197.db2.gz GIDYFHYTJBOIGF-VIFPVBQESA-N -1 0 304.310 -0.071 20 0 DBADRM NC(=O)[C@@H](O)CNC(=O)c1cc(Br)c(F)cc1[O-] ZINC001362826080 981919845 /nfs/dbraw/zinc/91/98/45/981919845.db2.gz QQPRRJZUNBDURB-QMMMGPOBSA-N -1 0 321.102 -0.130 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)c1[O-] ZINC001362831561 981924557 /nfs/dbraw/zinc/92/45/57/981924557.db2.gz LPEZNSFIYLMYDM-RKDXNWHRSA-N -1 0 315.351 -0.548 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CCCS(N)(=O)=O ZINC001362834043 981924880 /nfs/dbraw/zinc/92/48/80/981924880.db2.gz YJUBQFMRKBAQHG-UHFFFAOYSA-N -1 0 304.376 -0.747 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)NC1(c2nnn[n-]2)CCC1 ZINC001362836437 981927362 /nfs/dbraw/zinc/92/73/62/981927362.db2.gz PYEFIBUDBNFXAK-UHFFFAOYSA-N -1 0 316.387 -0.587 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CCOc1ccc(C(N)=O)cc1 ZINC001362838769 981929245 /nfs/dbraw/zinc/92/92/45/981929245.db2.gz FIMBZPCJLWBTBO-UHFFFAOYSA-N -1 0 320.305 -0.111 20 0 DBADRM Cc1cc(C(=O)N2C[C@H](CO)[C@H](O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001362844456 981934053 /nfs/dbraw/zinc/93/40/53/981934053.db2.gz ZJBKHUYJFKPGDN-VXNVDRBHSA-N -1 0 320.305 -0.830 20 0 DBADRM Cn1nccc1[C@@H]1C[C@H](NC(=O)CCc2nnn[n-]2)CCO1 ZINC001362855129 981947551 /nfs/dbraw/zinc/94/75/51/981947551.db2.gz SQHGCEJSMOGFCQ-KOLCDFICSA-N -1 0 305.342 -0.098 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCN2CCOC[C@H]2C1 ZINC001362858070 981949650 /nfs/dbraw/zinc/94/96/50/981949650.db2.gz KIDKMEXDOYOXIS-SNVBAGLBSA-N -1 0 311.342 -0.988 20 0 DBADRM Cn1nccc1[C@@H]1COCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362887006 981971523 /nfs/dbraw/zinc/97/15/23/981971523.db2.gz MYKIXELONXOETE-QMMMGPOBSA-N -1 0 306.282 -0.770 20 0 DBADRM CCOC(=O)[C@@H](NC(=O)CCc1nnn[n-]1)[C@@H]1CCCOC1 ZINC001362892398 981976820 /nfs/dbraw/zinc/97/68/20/981976820.db2.gz RSQLPUVPWLCVDB-SKDRFNHKSA-N -1 0 311.342 -0.393 20 0 DBADRM Cc1noc(C2(C)CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)n1 ZINC001362893978 981977602 /nfs/dbraw/zinc/97/76/02/981977602.db2.gz YCZFYAMJFJOIGJ-UHFFFAOYSA-N -1 0 322.325 -0.039 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCO[C@@H](c2ncon2)C1 ZINC001362894686 981978431 /nfs/dbraw/zinc/97/84/31/981978431.db2.gz SDNHCOQBGPJMPI-ZCFIWIBFSA-N -1 0 312.311 -0.415 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N[C@H](COC)c1nnn[n-]1 ZINC001362899939 981980204 /nfs/dbraw/zinc/98/02/04/981980204.db2.gz MTJQATBEGHHDOY-MRVPVSSYSA-N -1 0 305.360 -0.782 20 0 DBADRM O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001362906607 981988806 /nfs/dbraw/zinc/98/88/06/981988806.db2.gz OJDMLBZAWVPGHO-ZJUUUORDSA-N -1 0 313.383 -0.585 20 0 DBADRM COC[C@@H](NC(=O)c1cc(OC(F)F)n(C)n1)c1nnn[n-]1 ZINC001362907828 981990997 /nfs/dbraw/zinc/99/09/97/981990997.db2.gz INYSMUWPYZGOIN-ZCFIWIBFSA-N -1 0 317.256 -0.348 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)O1 ZINC001362908836 981991966 /nfs/dbraw/zinc/99/19/66/981991966.db2.gz VXATXLNEQBOXNR-KXUCPTDWSA-N -1 0 308.342 -0.986 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccccc1)c1nnn[n-]1 ZINC001362911611 981996677 /nfs/dbraw/zinc/99/66/77/981996677.db2.gz UYEMPNDRBSVBBF-MWLCHTKSSA-N -1 0 318.337 -0.178 20 0 DBADRM CC(C)(O)C(C)(C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001362917371 981998057 /nfs/dbraw/zinc/99/80/57/981998057.db2.gz VZHBXKRIRPPHTG-UHFFFAOYSA-N -1 0 307.354 -0.016 20 0 DBADRM Cc1nc(C)c(CC(=O)NCCn2cnccc2=O)c(=O)[nH]1 ZINC001362927737 982007593 /nfs/dbraw/zinc/00/75/93/982007593.db2.gz BZXMLWMIWKEFIS-UHFFFAOYSA-N -1 0 303.322 -0.285 20 0 DBADRM COC(=O)[C@@H](NC(=O)CCCc1nnn[n-]1)c1ccnn1C ZINC001362931367 982009131 /nfs/dbraw/zinc/00/91/31/982009131.db2.gz IRYINEVQFXKAIN-NSHDSACASA-N -1 0 307.314 -0.714 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(S(=O)(=O)N(C)C)CC2)c1[O-] ZINC001362931812 982010739 /nfs/dbraw/zinc/01/07/39/982010739.db2.gz VXXKMMZQKGBFDR-UHFFFAOYSA-N -1 0 302.356 -0.422 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H](CO)c1ccccn1 ZINC001362938351 982013859 /nfs/dbraw/zinc/01/38/59/982013859.db2.gz NRXLBUAEAVEYGK-JTQLQIEISA-N -1 0 307.310 -0.286 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@@H]3COC[C@H]3O)cc2=O)n1 ZINC001362948892 982020873 /nfs/dbraw/zinc/02/08/73/982020873.db2.gz DWXNVCXGBYSLDV-GHMZBOCLSA-N -1 0 319.321 -0.938 20 0 DBADRM CCN1CCC[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1=O ZINC001362951200 982022606 /nfs/dbraw/zinc/02/26/06/982022606.db2.gz FVYOWJGELMUZLF-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCC[C@]12CCOC2=O ZINC001362969431 982036284 /nfs/dbraw/zinc/03/62/84/982036284.db2.gz HNBZZKBZZKBVDZ-CQSZACIVSA-N -1 0 302.290 -0.056 20 0 DBADRM COCC[C@H](NC(=O)c1c[n-]n2c1nccc2=O)C(=O)OC ZINC001362967924 982037189 /nfs/dbraw/zinc/03/71/89/982037189.db2.gz BWKANKXPCMEYHV-VIFPVBQESA-N -1 0 308.294 -0.670 20 0 DBADRM COCC[C@H](COC)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362980883 982042799 /nfs/dbraw/zinc/04/27/99/982042799.db2.gz OIXIPBVKDRACBS-SECBINFHSA-N -1 0 302.331 -0.363 20 0 DBADRM COC[C@@H]1CCCN1NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362996212 982057570 /nfs/dbraw/zinc/05/75/70/982057570.db2.gz GBPYXORXAWDAOJ-LBPRGKRZSA-N -1 0 317.353 -0.170 20 0 DBADRM CSCC[C@H](NC(=O)[C@]1(C)C[C@H](O)CN1C)c1nnn[n-]1 ZINC001363001928 982059834 /nfs/dbraw/zinc/05/98/34/982059834.db2.gz SXXOIZFLZOCYJQ-AUTRQRHGSA-N -1 0 314.415 -0.435 20 0 DBADRM Cn1[n-]c(C(=O)N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)cc1=O ZINC001363019558 982075464 /nfs/dbraw/zinc/07/54/64/982075464.db2.gz LVDKLMDTWLRFDA-QMMMGPOBSA-N -1 0 304.310 -0.050 20 0 DBADRM Cn1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cc1=O ZINC001363029553 982085662 /nfs/dbraw/zinc/08/56/62/982085662.db2.gz RLXPNEMZCNWHSK-UHFFFAOYSA-N -1 0 304.310 -0.978 20 0 DBADRM CCNC(=O)CNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001363029369 982086043 /nfs/dbraw/zinc/08/60/43/982086043.db2.gz HMCYVQSESZWKRW-UHFFFAOYSA-N -1 0 318.337 -0.562 20 0 DBADRM O=C(CNC(=O)c1ccccc1)NCc1nc([O-])cc(=O)[nH]1 ZINC001363037568 982090298 /nfs/dbraw/zinc/09/02/98/982090298.db2.gz MKSRGDSWGJOCNO-UHFFFAOYSA-N -1 0 302.290 -0.066 20 0 DBADRM CN=[S@@](C)(=O)CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363039513 982090588 /nfs/dbraw/zinc/09/05/88/982090588.db2.gz YLXUIDXDMXAQEV-FQEVSTJZSA-N -1 0 305.360 -0.687 20 0 DBADRM NC(=O)N1CCC[C@H]1C(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001363048684 982099351 /nfs/dbraw/zinc/09/93/51/982099351.db2.gz DYHYIBIXIILWQQ-QWRGUYRKSA-N -1 0 315.337 -0.052 20 0 DBADRM C[S@](=O)C1(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CCC1 ZINC001363079096 982122246 /nfs/dbraw/zinc/12/22/46/982122246.db2.gz YWDYUTFIBGQOLF-NRFANRHFSA-N -1 0 316.383 -0.113 20 0 DBADRM COC[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)[C@@H]1CCCO1 ZINC001363087627 982125356 /nfs/dbraw/zinc/12/53/56/982125356.db2.gz AVTPPGNKKPMELN-UWVGGRQHSA-N -1 0 314.342 -0.220 20 0 DBADRM CCOC(=O)N1CSC[C@@H]1C(=O)NCCc1nc(=O)o[n-]1 ZINC001363093756 982132961 /nfs/dbraw/zinc/13/29/61/982132961.db2.gz UMJBQMXAGLYMIA-SSDOTTSWSA-N -1 0 316.339 -0.447 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1NC(=O)C[C@@H]1c1ccccc1 ZINC001363103190 982139768 /nfs/dbraw/zinc/13/97/68/982139768.db2.gz BEWJJUXQHCTVBZ-SECBINFHSA-N -1 0 303.278 -0.306 20 0 DBADRM CS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]N2CN=NC2=O)n1 ZINC001363114820 982147742 /nfs/dbraw/zinc/14/77/42/982147742.db2.gz XRBJWKXZIRSREB-UHFFFAOYSA-N -1 0 317.714 -0.181 20 0 DBADRM O=C([C@@H]1CCCc2n[nH]cc21)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363117666 982149790 /nfs/dbraw/zinc/14/97/90/982149790.db2.gz YNNSTXNJYBVQRS-KCJUWKMLSA-N -1 0 303.326 -0.057 20 0 DBADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1C[C@H](O)[C@H](CO)C1 ZINC001363119664 982152172 /nfs/dbraw/zinc/15/21/72/982152172.db2.gz OJUAYEPVIFAGCE-QWRGUYRKSA-N -1 0 305.290 -0.545 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001363141333 982168000 /nfs/dbraw/zinc/16/80/00/982168000.db2.gz SUFRINVUQHUUAL-SSDOTTSWSA-N -1 0 321.268 -0.048 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCCC[C@H]1CN1CCCC1=O ZINC001363147769 982177162 /nfs/dbraw/zinc/17/71/62/982177162.db2.gz CXCCIGJHJNVDIE-VIFPVBQESA-N -1 0 321.337 -0.100 20 0 DBADRM CCOc1ccc(C(=O)NCC(=O)N(C)c2nnn[n-]2)cc1 ZINC001363149829 982180689 /nfs/dbraw/zinc/18/06/89/982180689.db2.gz KMOLSVZORRGTSF-UHFFFAOYSA-N -1 0 304.310 -0.009 20 0 DBADRM C[C@]12CCC(=O)N1[C@H](C(=O)NCc1nc([O-])cc(=O)[nH]1)CS2 ZINC001363153365 982183900 /nfs/dbraw/zinc/18/39/00/982183900.db2.gz UWGYSFFXWQEUSS-CPFSXVBKSA-N -1 0 324.362 -0.042 20 0 DBADRM C[C@H](O)[C@@H](O)CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC001363164732 982189808 /nfs/dbraw/zinc/18/98/08/982189808.db2.gz JIAXEDGTIUVCQI-CPCISQLKSA-N -1 0 320.342 -0.331 20 0 DBADRM CNC(=O)OC[C@@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363180562 982202299 /nfs/dbraw/zinc/20/22/99/982202299.db2.gz MBZNIWWAGBOMDP-QMMMGPOBSA-N -1 0 313.314 -0.574 20 0 DBADRM NS(=O)(=O)NC1CN(C(=O)c2ccc(Cl)c([O-])c2)C1 ZINC001363183550 982203338 /nfs/dbraw/zinc/20/33/38/982203338.db2.gz LDJXYZMOLZOKLV-UHFFFAOYSA-N -1 0 305.743 -0.337 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CCCCN2C1=O ZINC001363184968 982206376 /nfs/dbraw/zinc/20/63/76/982206376.db2.gz RPWTWUPRPJXONT-ZJUUUORDSA-N -1 0 323.353 -0.261 20 0 DBADRM Cn1[n-]c(C(=O)N2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)cc1=O ZINC001363188276 982207980 /nfs/dbraw/zinc/20/79/80/982207980.db2.gz HAHBOOSJRFSDAA-ZETCQYMHSA-N -1 0 305.294 -0.043 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N2CCC(c3nnn[n-]3)CC2)c1C ZINC001363196089 982215965 /nfs/dbraw/zinc/21/59/65/982215965.db2.gz NYEGZFQNVGCJCY-UHFFFAOYSA-N -1 0 317.353 -0.070 20 0 DBADRM COCc1ncc2c(n1)CCN(C(=O)CCc1nnn[n-]1)C2 ZINC001363237039 982247516 /nfs/dbraw/zinc/24/75/16/982247516.db2.gz KFWSZZSLWVGODM-UHFFFAOYSA-N -1 0 303.326 -0.346 20 0 DBADRM CN(C)c1nc(N)nc(CN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC001363247919 982261663 /nfs/dbraw/zinc/26/16/63/982261663.db2.gz JIOYEFKIRZTORB-MRVPVSSYSA-N -1 0 319.373 -0.277 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN(C)C[C@H]1COCCO1)C(=O)[O-] ZINC001594887595 982273469 /nfs/dbraw/zinc/27/34/69/982273469.db2.gz RKTRAXPGSNEBNJ-GVXVVHGQSA-N -1 0 302.371 -0.051 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCC(CO)(CO)CC1)C(=O)[O-] ZINC001594891252 982289082 /nfs/dbraw/zinc/28/90/82/982289082.db2.gz LEYDPUZZPAYTMT-DGCLKSJQSA-N -1 0 316.398 -0.331 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCOC[C@H]1CC(N)=O)C(=O)[O-] ZINC001594892377 982295536 /nfs/dbraw/zinc/29/55/36/982295536.db2.gz AWVVFAPJPLPWFG-CWSCBRNRSA-N -1 0 315.370 -0.822 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)Cn1cc([C@@H](C)O)nn1 ZINC001363274754 982296646 /nfs/dbraw/zinc/29/66/46/982296646.db2.gz ABMUNWLQMMTYFO-SECBINFHSA-N -1 0 308.346 -0.471 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001363279113 982298868 /nfs/dbraw/zinc/29/88/68/982298868.db2.gz ZXMRNGNEPSNXHA-RKDXNWHRSA-N -1 0 304.314 -0.704 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O ZINC001363276372 982299088 /nfs/dbraw/zinc/29/90/88/982299088.db2.gz LOVGLBZTFGQEKV-BXKDBHETSA-N -1 0 324.385 -0.540 20 0 DBADRM CSCC[C@H](NC(=O)CN1CSCC1=O)c1nnn[n-]1 ZINC001363278400 982301220 /nfs/dbraw/zinc/30/12/20/982301220.db2.gz AWALQJFCLUTETP-ZETCQYMHSA-N -1 0 316.412 -0.357 20 0 DBADRM CC(=O)c1cn(CC(=O)N2CCC(c3nnn[n-]3)CC2)nn1 ZINC001363280511 982303627 /nfs/dbraw/zinc/30/36/27/982303627.db2.gz ASPWGVBBEDLILI-UHFFFAOYSA-N -1 0 304.314 -0.600 20 0 DBADRM C[C@H](C(=O)N1CCC(c2nnn[n-]2)CC1)[C@H](C)S(C)(=O)=O ZINC001363282351 982304071 /nfs/dbraw/zinc/30/40/71/982304071.db2.gz MCRWAHQPUAKYCI-IUCAKERBSA-N -1 0 315.399 -0.025 20 0 DBADRM Cn1ccnc1[C@@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC001363282988 982306892 /nfs/dbraw/zinc/30/68/92/982306892.db2.gz OKOFBZBBOFEXAG-YUMQZZPRSA-N -1 0 320.309 -0.334 20 0 DBADRM CO[C@H]1COCC[C@@H]1N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363305636 982327408 /nfs/dbraw/zinc/32/74/08/982327408.db2.gz FOOQXHUAGKNFSW-UWVGGRQHSA-N -1 0 314.342 -0.268 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363305730 982328209 /nfs/dbraw/zinc/32/82/09/982328209.db2.gz FRDJMQRUFBUDMD-YUMQZZPRSA-N -1 0 308.371 -0.175 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363305637 982328296 /nfs/dbraw/zinc/32/82/96/982328296.db2.gz FOOQXHUAGKNFSW-VHSXEESVSA-N -1 0 314.342 -0.268 20 0 DBADRM CCC(=O)NC1CCN(Cc2cc(=O)n3[n-]c(N)nc3n2)CC1 ZINC001363325606 982342806 /nfs/dbraw/zinc/34/28/06/982342806.db2.gz HHIAQIZLNSSRGM-UHFFFAOYSA-N -1 0 319.369 -0.510 20 0 DBADRM CN(C)C(=O)[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001363329366 982344203 /nfs/dbraw/zinc/34/42/03/982344203.db2.gz ZCCPOTVEQUZFMQ-VIFPVBQESA-N -1 0 303.322 -0.427 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCC2(CCNC2=O)CC1 ZINC001363337765 982351343 /nfs/dbraw/zinc/35/13/43/982351343.db2.gz WFWQCUPXXBPWLH-UHFFFAOYSA-N -1 0 315.333 -0.235 20 0 DBADRM CN1C[C@H](C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)NC1=O ZINC001363343714 982354924 /nfs/dbraw/zinc/35/49/24/982354924.db2.gz IMHFMYVOVPINFH-NXEZZACHSA-N -1 0 301.310 -0.571 20 0 DBADRM COC(=O)N[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001363354265 982359989 /nfs/dbraw/zinc/35/99/89/982359989.db2.gz YJIQBQUVDQPJFH-QMMMGPOBSA-N -1 0 313.314 -0.574 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C(F)F ZINC001489706483 1014832359 /nfs/dbraw/zinc/83/23/59/1014832359.db2.gz QQYMPFULXUORFZ-LURJTMIESA-N -1 0 319.268 -0.986 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1CCc2nnnn2CC1 ZINC001363392425 982385270 /nfs/dbraw/zinc/38/52/70/982385270.db2.gz QKPFOUPRMOMAOY-ZCFIWIBFSA-N -1 0 310.343 -0.890 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001363401854 982390551 /nfs/dbraw/zinc/39/05/51/982390551.db2.gz UMQCZCYUUPOBCV-MNOVXSKESA-N -1 0 324.385 -0.886 20 0 DBADRM O=C([C@@H]1CCc2nncn2C1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001363402158 982392726 /nfs/dbraw/zinc/39/27/26/982392726.db2.gz VDJWCMXLVSXFCO-WDEREUQCSA-N -1 0 316.369 -0.165 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363407654 982394877 /nfs/dbraw/zinc/39/48/77/982394877.db2.gz LDYRCRLZOREDPV-IVZWLZJFSA-N -1 0 309.326 -0.311 20 0 DBADRM COC(=O)c1ccnc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)c1 ZINC001363407447 982395331 /nfs/dbraw/zinc/39/53/31/982395331.db2.gz ISCALBXYPOQWQR-JTQLQIEISA-N -1 0 318.293 -0.405 20 0 DBADRM O=C(COCc1cccnc1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363410502 982396551 /nfs/dbraw/zinc/39/65/51/982396551.db2.gz WHRQKBGTHHKHBU-LLVKDONJSA-N -1 0 304.310 -0.289 20 0 DBADRM CC(=O)c1cc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)n(C)c1 ZINC001363409878 982396585 /nfs/dbraw/zinc/39/65/85/982396585.db2.gz INVDJKUHVFZUBG-LLVKDONJSA-N -1 0 304.310 -0.046 20 0 DBADRM COC[C@@H](NC(=O)CCC(=O)NC1CCCC1)c1nnn[n-]1 ZINC001363415028 982401759 /nfs/dbraw/zinc/40/17/59/982401759.db2.gz NDJXTJCSVWRSOZ-SNVBAGLBSA-N -1 0 310.358 -0.158 20 0 DBADRM COC[C@@H](NC(=O)CC1(CS(C)(=O)=O)CC1)c1nnn[n-]1 ZINC001363415718 982402049 /nfs/dbraw/zinc/40/20/49/982402049.db2.gz OBAURPQPFPSUJJ-MRVPVSSYSA-N -1 0 317.371 -0.782 20 0 DBADRM CNC(=O)[C@@H]1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC001363418956 982403792 /nfs/dbraw/zinc/40/37/92/982403792.db2.gz IECMSPPDYHLRGF-SSDOTTSWSA-N -1 0 317.305 -0.356 20 0 DBADRM CNC(=O)NCC(=O)N[C@H]1CCCN(c2nc(C)cc(=O)[nH]2)C1 ZINC001363434518 982409631 /nfs/dbraw/zinc/40/96/31/982409631.db2.gz MGTSJDNSEKXOQG-JTQLQIEISA-N -1 0 322.369 -0.495 20 0 DBADRM O=C(C[C@H]1CCC(=O)NC1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001363437839 982412892 /nfs/dbraw/zinc/41/28/92/982412892.db2.gz XYMJFVFVKPTDMF-GHMZBOCLSA-N -1 0 306.370 -0.103 20 0 DBADRM COC[C@@H](NC(=O)Cc1nc(C2CC2)nn1C)c1nnn[n-]1 ZINC001363438915 982413712 /nfs/dbraw/zinc/41/37/12/982413712.db2.gz WGJSTUIRJZXJDE-MRVPVSSYSA-N -1 0 306.330 -0.748 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc(S(N)(=O)=O)s1 ZINC001363454183 982427342 /nfs/dbraw/zinc/42/73/42/982427342.db2.gz WPSHLHXBNFSWEE-UHFFFAOYSA-N -1 0 318.336 -0.656 20 0 DBADRM CO[C@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)[C@@H]1CCOC1 ZINC001363481271 982445381 /nfs/dbraw/zinc/44/53/81/982445381.db2.gz ATHRJVHGIWCRCS-NXEZZACHSA-N -1 0 314.342 -0.363 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCCN1C[C@@H]2CCCCN2C1=O ZINC001363490284 982452826 /nfs/dbraw/zinc/45/28/26/982452826.db2.gz PCMHPJPHVHFNTN-NSHDSACASA-N -1 0 321.385 -0.071 20 0 DBADRM CCC(=O)N1CC[C@H]1CN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001489760281 1014842112 /nfs/dbraw/zinc/84/21/12/1014842112.db2.gz OLCBVUABTMYHLW-VIFPVBQESA-N -1 0 323.353 -0.315 20 0 DBADRM COC(=O)[C@H]1CSCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001363495292 982457969 /nfs/dbraw/zinc/45/79/69/982457969.db2.gz AMZXXPKWXJSKOI-ZCFIWIBFSA-N -1 0 318.380 -0.281 20 0 DBADRM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)[C@H]1CCOC(=O)N1 ZINC001363496570 982458095 /nfs/dbraw/zinc/45/80/95/982458095.db2.gz QGBNTLGTAFUBNU-ZJUUUORDSA-N -1 0 302.294 -0.096 20 0 DBADRM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)[C@H]1CCOC(=O)N1 ZINC001363496552 982458611 /nfs/dbraw/zinc/45/86/11/982458611.db2.gz QGBNTLGTAFUBNU-NXEZZACHSA-N -1 0 302.294 -0.096 20 0 DBADRM CN1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)Cc2ccccc21 ZINC001363497039 982459573 /nfs/dbraw/zinc/45/95/73/982459573.db2.gz DQEPOPWENJPSAG-JTQLQIEISA-N -1 0 303.322 -0.133 20 0 DBADRM COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)CCCc1nnn[n-]1 ZINC001363503864 982467807 /nfs/dbraw/zinc/46/78/07/982467807.db2.gz LARRSSWIHYMGGS-RNCFNFMXSA-N -1 0 311.342 -0.299 20 0 DBADRM CNC(=O)NCC(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001363507397 982469207 /nfs/dbraw/zinc/46/92/07/982469207.db2.gz DXDYAKPSLGKXIV-JTQLQIEISA-N -1 0 318.337 -0.161 20 0 DBADRM NS(=O)(=O)NC1CCN(C(=O)c2cccc(F)c2[O-])CC1 ZINC001363505748 982470422 /nfs/dbraw/zinc/47/04/22/982470422.db2.gz YSFBORVMRJPHSQ-UHFFFAOYSA-N -1 0 317.342 -0.071 20 0 DBADRM O=C(c1ccc2c(n1)OCCO2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363514306 982477009 /nfs/dbraw/zinc/47/70/09/982477009.db2.gz SQKNFASSIHHXEA-VIFPVBQESA-N -1 0 318.293 -0.420 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001363520305 982481579 /nfs/dbraw/zinc/48/15/79/982481579.db2.gz YQTKFQXETVOVCK-UHFFFAOYSA-N -1 0 315.399 -0.024 20 0 DBADRM C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001363521035 982482407 /nfs/dbraw/zinc/48/24/07/982482407.db2.gz GIMOFUHQFKBQKX-BJOHPYRUSA-N -1 0 322.365 -0.674 20 0 DBADRM O=C(CCc1nnn[n-]1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001363550501 982504094 /nfs/dbraw/zinc/50/40/94/982504094.db2.gz SNDMTZITNZJCPD-VXGBXAGGSA-N -1 0 303.322 -0.217 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)c1cn(C[C@H]2CCOC2)nn1 ZINC001363556270 982508233 /nfs/dbraw/zinc/50/82/33/982508233.db2.gz ZOSKGHGJLSBZPR-SECBINFHSA-N -1 0 318.341 -0.363 20 0 DBADRM CCNC(=O)NC1(C(=O)N(C)Cc2nc(=O)o[n-]2)CCCC1 ZINC001363567665 982514920 /nfs/dbraw/zinc/51/49/20/982514920.db2.gz XTMHFAJSOLVDQF-UHFFFAOYSA-N -1 0 311.342 -0.047 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@H]1C ZINC001363570781 982515630 /nfs/dbraw/zinc/51/56/30/982515630.db2.gz UEJNYSHOBGPXMT-PSASIEDQSA-N -1 0 304.306 -0.096 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC001363573728 982516591 /nfs/dbraw/zinc/51/65/91/982516591.db2.gz UHLHPPPUEHMCJS-QMMMGPOBSA-N -1 0 320.309 -0.892 20 0 DBADRM CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363577872 982520091 /nfs/dbraw/zinc/52/00/91/982520091.db2.gz NPBDPXDWAYFSTJ-QMMMGPOBSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(C)(CNS(C)(=O)=O)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001363584080 982521625 /nfs/dbraw/zinc/52/16/25/982521625.db2.gz WSTGFPZWEXXUKG-UHFFFAOYSA-N -1 0 323.400 -0.954 20 0 DBADRM COC[C@H](NC(=O)CCCn1ccccc1=O)c1nnn[n-]1 ZINC001363588950 982525906 /nfs/dbraw/zinc/52/59/06/982525906.db2.gz PTEPBDGAIWRYEC-JTQLQIEISA-N -1 0 306.326 -0.355 20 0 DBADRM COC[C@H](NC(=O)CS(=O)(=O)CC(C)C)c1nnn[n-]1 ZINC001363595172 982530850 /nfs/dbraw/zinc/53/08/50/982530850.db2.gz ZKPYPVXOEYZEFY-QMMMGPOBSA-N -1 0 305.360 -0.926 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC=C(N)N3)cc2=O)n1 ZINC001363603109 982533655 /nfs/dbraw/zinc/53/36/55/982533655.db2.gz VDWIITVDBYGHLL-UHFFFAOYSA-N -1 0 301.310 -0.667 20 0 DBADRM COc1cnc(C(C)(C)NC(=O)CN2CCCNC2=O)[nH]c1=O ZINC001363606519 982535393 /nfs/dbraw/zinc/53/53/93/982535393.db2.gz RKGUKNXKUPBOMZ-UHFFFAOYSA-N -1 0 323.353 -0.043 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)CCCc2nnn[n-]2)CCS1(=O)=O ZINC001363652482 982553896 /nfs/dbraw/zinc/55/38/96/982553896.db2.gz LHKXITOAAXSNHX-BDAKNGLRSA-N -1 0 301.372 -0.396 20 0 DBADRM CC1C(=O)N=C(CCN(C)C(=O)c2cc(=O)n(C)[n-]2)NC1=O ZINC001363656776 982555703 /nfs/dbraw/zinc/55/57/03/982555703.db2.gz CXUFBPZTGIMSIT-UHFFFAOYSA-N -1 0 307.310 -0.050 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001363659345 982557287 /nfs/dbraw/zinc/55/72/87/982557287.db2.gz IDWWJPVUBIQXMK-UHFFFAOYSA-N -1 0 316.387 -0.984 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCC2N=NC(=O)N2C1)c1nn(C)cc1[O-] ZINC001363662060 982559261 /nfs/dbraw/zinc/55/92/61/982559261.db2.gz HGYJZMYHWMTHHS-SFYZADRCSA-N -1 0 306.326 -0.137 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)c1nn(C)cc1[O-] ZINC001363668648 982563321 /nfs/dbraw/zinc/56/33/21/982563321.db2.gz URKISWZRRKYZCE-SSDOTTSWSA-N -1 0 304.372 -0.369 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCO[C@@H]2COCC[C@@H]21 ZINC001363674785 982567385 /nfs/dbraw/zinc/56/73/85/982567385.db2.gz XUOYOMZNBNIPFD-JGVFFNPUSA-N -1 0 300.340 -0.381 20 0 DBADRM C[C@@H](O)CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@H](C)CO ZINC001363701604 982578526 /nfs/dbraw/zinc/57/85/26/982578526.db2.gz BOAAUHIEZLENMH-NXEZZACHSA-N -1 0 320.353 -0.721 20 0 DBADRM O=C(N1CC[C@@H](c2nnn[n-]2)C1)C1(n2cnnn2)CCCCC1 ZINC001363720650 982587099 /nfs/dbraw/zinc/58/70/99/982587099.db2.gz KWTUOHXWCZAGKZ-SNVBAGLBSA-N -1 0 317.357 -0.138 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCc2ccccc2NC1=O ZINC001363722135 982588725 /nfs/dbraw/zinc/58/87/25/982588725.db2.gz SPANEOOTOCRTNR-SNVBAGLBSA-N -1 0 317.305 -0.241 20 0 DBADRM Cc1occc1C(=O)NCC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363726169 982591501 /nfs/dbraw/zinc/59/15/01/982591501.db2.gz UHYXMAJNARGJSF-VIFPVBQESA-N -1 0 304.310 -0.153 20 0 DBADRM CC(=O)N[C@H]1C[C@@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001489831224 1014855463 /nfs/dbraw/zinc/85/54/63/1014855463.db2.gz UADLWVXDFTWNEG-DTORHVGOSA-N -1 0 309.326 -0.754 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCn2c(CC3CC3)nnc2C1 ZINC001363803202 982645302 /nfs/dbraw/zinc/64/53/02/982645302.db2.gz DNVGVGGGELVVTL-UHFFFAOYSA-N -1 0 317.309 -0.517 20 0 DBADRM NS(=O)(=O)C1CN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC001363804010 982646795 /nfs/dbraw/zinc/64/67/95/982646795.db2.gz DKFGJEZSKIZJSV-UHFFFAOYSA-N -1 0 300.365 -0.130 20 0 DBADRM Nc1nc2nc(CN3CC[C@@H](N4CCOC4=O)C3)cc(=O)n2[n-]1 ZINC001363806595 982648700 /nfs/dbraw/zinc/64/87/00/982648700.db2.gz UYMXOVGFJQOWRW-SECBINFHSA-N -1 0 319.325 -0.974 20 0 DBADRM Nc1nc2nc(CN3CC[C@H](N4CCOC4=O)C3)cc(=O)n2[n-]1 ZINC001363806619 982649040 /nfs/dbraw/zinc/64/90/40/982649040.db2.gz UYMXOVGFJQOWRW-VIFPVBQESA-N -1 0 319.325 -0.974 20 0 DBADRM O=C(N[C@H]([C@H]1CCOC1)C(F)(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001363810649 982650689 /nfs/dbraw/zinc/65/06/89/982650689.db2.gz ITXUAFVUBQOGST-UJURSFKZSA-N -1 0 308.216 -0.020 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)c1s[n-]c(=O)c1Cl ZINC001363814657 982653047 /nfs/dbraw/zinc/65/30/47/982653047.db2.gz OTOZNTWRDCCIHL-BYPYZUCNSA-N -1 0 314.772 -0.363 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCc2cnn(C)c2C)n[nH]1 ZINC001363830492 982664086 /nfs/dbraw/zinc/66/40/86/982664086.db2.gz IFRDKGXCTONSTQ-UHFFFAOYSA-N -1 0 313.339 -0.283 20 0 DBADRM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ncc[n-]1 ZINC001363833596 982665107 /nfs/dbraw/zinc/66/51/07/982665107.db2.gz HJHWIMZPYNIXHD-DTWKUNHWSA-N -1 0 303.340 -0.249 20 0 DBADRM CCCn1cc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)nn1 ZINC001363834161 982665618 /nfs/dbraw/zinc/66/56/18/982665618.db2.gz YBVXETCVPSGBDY-UHFFFAOYSA-N -1 0 316.325 -0.611 20 0 DBADRM Cc1nn2cccnc2c1S(=O)(=O)[N-]CC(F)(F)CO ZINC001363850826 982673932 /nfs/dbraw/zinc/67/39/32/982673932.db2.gz KRHQZZRFZSQKIC-UHFFFAOYSA-N -1 0 306.294 -0.056 20 0 DBADRM CC(C)(C)OC(=O)[C@@]1(NC(=O)CCc2nnn[n-]2)CCOC1 ZINC001363860208 982680244 /nfs/dbraw/zinc/68/02/44/982680244.db2.gz YCZHVNYPYVGZDG-CYBMUJFWSA-N -1 0 311.342 -0.251 20 0 DBADRM C[C@@](CNC(=O)C1CC1)(NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001531744402 1014874312 /nfs/dbraw/zinc/87/43/12/1014874312.db2.gz AWGICHXKWHRQRV-AWEZNQCLSA-N -1 0 321.337 -0.293 20 0 DBADRM O=c1nc(CNS(=O)(=O)C[C@H]2CC[C@H](C3CC3)O2)[n-]o1 ZINC001363952056 982744019 /nfs/dbraw/zinc/74/40/19/982744019.db2.gz XALVGBBWVLLRIZ-RKDXNWHRSA-N -1 0 303.340 -0.260 20 0 DBADRM COCC1(S(=O)(=O)[N-][C@]2(C(=O)OC)CCOC2)CCC1 ZINC001363955589 982748166 /nfs/dbraw/zinc/74/81/66/982748166.db2.gz QFLNYKRDQPFRNQ-GFCCVEGCSA-N -1 0 307.368 -0.193 20 0 DBADRM O=c1nc(CCNS(=O)(=O)C[C@@H]2CC[C@H](C3CC3)O2)[n-]o1 ZINC001363976562 982761508 /nfs/dbraw/zinc/76/15/08/982761508.db2.gz BVIVLFVVSRGNTL-VHSXEESVSA-N -1 0 317.367 -0.218 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@@H](C)c2noc(C)n2)CC1=O ZINC001363983196 982765485 /nfs/dbraw/zinc/76/54/85/982765485.db2.gz ZZRIQVGFNKZOAN-IONNQARKSA-N -1 0 302.356 -0.021 20 0 DBADRM COC(=O)[C@@H](O)C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC001363984386 982767477 /nfs/dbraw/zinc/76/74/77/982767477.db2.gz VRJWDJYOZHBAPC-ULCDLSAGSA-N -1 0 316.401 -0.749 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@@H](O)[C@@H]1CCCO1 ZINC001364008645 982781529 /nfs/dbraw/zinc/78/15/29/982781529.db2.gz INMNTPJVUWREPG-ZJUUUORDSA-N -1 0 312.413 -0.378 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](COC)c2nnn[n-]2)C1 ZINC001364028182 982796620 /nfs/dbraw/zinc/79/66/20/982796620.db2.gz KTDFGECQEAPTKB-AEJSXWLSSA-N -1 0 311.342 -0.017 20 0 DBADRM COC[C@@H](NC(=O)c1ccc2c(n1)OCCO2)c1nnn[n-]1 ZINC001364037271 982802270 /nfs/dbraw/zinc/80/22/70/982802270.db2.gz UIQXOEKALZIDCZ-MRVPVSSYSA-N -1 0 306.282 -0.517 20 0 DBADRM COC[C@H](NC(=O)Cc1[nH]nc2c1CCCC2)c1nnn[n-]1 ZINC001364039272 982803031 /nfs/dbraw/zinc/80/30/31/982803031.db2.gz WYBJFLUEBKUXCG-NSHDSACASA-N -1 0 305.342 -0.152 20 0 DBADRM CO[C@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)[C@H]1CCOC1 ZINC001364046148 982806199 /nfs/dbraw/zinc/80/61/99/982806199.db2.gz AWUIWQXECZILFC-BQBZGAKWSA-N -1 0 304.328 -0.802 20 0 DBADRM CO[C@@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)[C@H]1CCOC1 ZINC001364046152 982806427 /nfs/dbraw/zinc/80/64/27/982806427.db2.gz AWUIWQXECZILFC-NKWVEPMBSA-N -1 0 304.328 -0.802 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CC[C@H]1CCCCO1)[C@@H](C)O ZINC001364051464 982808675 /nfs/dbraw/zinc/80/86/75/982808675.db2.gz VOLALUFYBNKWLJ-MXWKQRLJSA-N -1 0 309.384 -0.213 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[C@H](NC(=O)c3cc(=O)[nH]cn3)C2)n1 ZINC001364052987 982809110 /nfs/dbraw/zinc/80/91/10/982809110.db2.gz ABIGAAZBYBKJHG-VIFPVBQESA-N -1 0 316.321 -0.005 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](O)c1c(F)cccc1F ZINC001364055978 982810422 /nfs/dbraw/zinc/81/04/22/982810422.db2.gz NQRVAYACCFOWBW-MRVPVSSYSA-N -1 0 314.248 -0.183 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)C[C@@H]2CCC(=O)NC2)n[n-]1 ZINC001364060149 982812475 /nfs/dbraw/zinc/81/24/75/982812475.db2.gz WEBOURVRQHFYPD-LURJTMIESA-N -1 0 301.328 -0.937 20 0 DBADRM CCOC(=O)[C@H](CSC)NC(=O)CCCc1nnn[n-]1 ZINC001364057807 982812712 /nfs/dbraw/zinc/81/27/12/982812712.db2.gz WJPLCGVPWVDKLJ-QMMMGPOBSA-N -1 0 301.372 -0.067 20 0 DBADRM Cn1ncc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1Cl ZINC001364061276 982813583 /nfs/dbraw/zinc/81/35/83/982813583.db2.gz YPFYARFXTDRSPW-UHFFFAOYSA-N -1 0 304.719 -0.153 20 0 DBADRM O=c1cc(N2CC[C@@H](NS(=O)(=O)c3ncc[n-]3)C2)nc[nH]1 ZINC001364067107 982815819 /nfs/dbraw/zinc/81/58/19/982815819.db2.gz JKXMOFXILWJWTL-MRVPVSSYSA-N -1 0 310.339 -0.538 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CC(=O)N1 ZINC001364074277 982817568 /nfs/dbraw/zinc/81/75/68/982817568.db2.gz OTRITFDPUJVMJL-QMMMGPOBSA-N -1 0 302.290 -0.010 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCC[C@@H]2CNC(=O)C2)o1 ZINC001364078027 982819463 /nfs/dbraw/zinc/81/94/63/982819463.db2.gz XOKWTMURGHEQSD-QMMMGPOBSA-N -1 0 316.335 -0.129 20 0 DBADRM Cc1ncccc1CCNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001364077805 982820060 /nfs/dbraw/zinc/82/00/60/982820060.db2.gz XSIRTKHJDUTJHS-UHFFFAOYSA-N -1 0 324.362 -0.290 20 0 DBADRM CCN1C[C@H](C(=O)N[C@@H](CCSC)c2nnn[n-]2)CC1=O ZINC001364085798 982821977 /nfs/dbraw/zinc/82/19/77/982821977.db2.gz GUMPWLRDANYWJB-BDAKNGLRSA-N -1 0 312.399 -0.022 20 0 DBADRM COC(=O)NCCC(=O)N[C@@H](CCSC)c1nnn[n-]1 ZINC001364086173 982822214 /nfs/dbraw/zinc/82/22/14/982822214.db2.gz JOINBXVKDWTNMB-ZETCQYMHSA-N -1 0 302.360 -0.144 20 0 DBADRM CSCC[C@H](NC(=O)CCN1CCOC1=O)c1nnn[n-]1 ZINC001364087975 982823605 /nfs/dbraw/zinc/82/36/05/982823605.db2.gz OBNREHYYKKJCIU-QMMMGPOBSA-N -1 0 314.371 -0.048 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001364088371 982823901 /nfs/dbraw/zinc/82/39/01/982823901.db2.gz FMSHEYATFPEKMV-SNVBAGLBSA-N -1 0 304.328 -0.795 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H](CO)C[C@H]1CCCO1 ZINC001364117954 982833113 /nfs/dbraw/zinc/83/31/13/982833113.db2.gz JIKCRXNRKUOISF-NXEZZACHSA-N -1 0 321.337 -0.883 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001364123738 982834008 /nfs/dbraw/zinc/83/40/08/982834008.db2.gz GWQUIYISQLISPO-BDAKNGLRSA-N -1 0 314.371 -0.987 20 0 DBADRM CCOC(=O)[C@H](F)C1CN(C(=O)N=c2nn[n-]n2CC)C1 ZINC001364121871 982834174 /nfs/dbraw/zinc/83/41/74/982834174.db2.gz DJLNQHAFBCOEHV-MRVPVSSYSA-N -1 0 300.294 -0.520 20 0 DBADRM COC(=O)C(F)(F)C[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001364126752 982836024 /nfs/dbraw/zinc/83/60/24/982836024.db2.gz LXHUPNZQYLUAMJ-MRVPVSSYSA-N -1 0 316.326 -0.955 20 0 DBADRM COc1cc(OC)cc(C(=O)NCC(=O)N(C)c2nnn[n-]2)c1 ZINC001364203980 982854707 /nfs/dbraw/zinc/85/47/07/982854707.db2.gz WQKDYQMFMGPVLN-UHFFFAOYSA-N -1 0 320.309 -0.390 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(=O)NC[C@H]1c1ccccc1 ZINC001364211650 982858114 /nfs/dbraw/zinc/85/81/14/982858114.db2.gz KZGYNPANKMPULI-JTQLQIEISA-N -1 0 317.305 -0.611 20 0 DBADRM COC(=O)C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)(C)C ZINC001364293244 982888893 /nfs/dbraw/zinc/88/88/93/982888893.db2.gz LYBHYVDTRLMSFP-ZETCQYMHSA-N -1 0 300.315 -0.217 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC001364371416 982945486 /nfs/dbraw/zinc/94/54/86/982945486.db2.gz AFIMBVMZESRUIX-QMMMGPOBSA-N -1 0 307.314 -0.466 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC(c2cc(C(=O)OC)n[nH]2)C1 ZINC001364371181 982946816 /nfs/dbraw/zinc/94/68/16/982946816.db2.gz XIFSIQDBJXZNOK-UHFFFAOYSA-N -1 0 320.313 -0.744 20 0 DBADRM Cc1ncn(C)c1C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001490209753 1014895128 /nfs/dbraw/zinc/89/51/28/1014895128.db2.gz VLDBSZXYEIXRCC-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM COCCn1ncc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)c1C ZINC001364382417 982952115 /nfs/dbraw/zinc/95/21/15/982952115.db2.gz CXPSVAJZNFUDDD-NSHDSACASA-N -1 0 321.341 -0.435 20 0 DBADRM O=C(COCc1ccccn1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001364384481 982954215 /nfs/dbraw/zinc/95/42/15/982954215.db2.gz VZGUZBQEGIQWNI-NSHDSACASA-N -1 0 304.310 -0.289 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(OCCO)CCCCC1 ZINC001364390210 982956013 /nfs/dbraw/zinc/95/60/13/982956013.db2.gz CBEMTRPWSAFWAK-UHFFFAOYSA-N -1 0 314.342 -0.483 20 0 DBADRM COC1(C(=O)N[C@@H](C)c2nn(C)cc2[O-])CS(=O)(=O)C1 ZINC001364403322 982961680 /nfs/dbraw/zinc/96/16/80/982961680.db2.gz UJPVBYOTXKHBGO-ZETCQYMHSA-N -1 0 303.340 -0.884 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001364421933 982973764 /nfs/dbraw/zinc/97/37/64/982973764.db2.gz RKYIGCGVAIDAEO-NXEZZACHSA-N -1 0 318.289 -0.453 20 0 DBADRM O=C(N[C@]12CC(=O)N[C@H]1CCCC2)c1c[n-]n2c1nccc2=O ZINC001364420847 982974647 /nfs/dbraw/zinc/97/46/47/982974647.db2.gz VLYQBVHEJFWLRS-ZUZCIYMTSA-N -1 0 315.333 -0.046 20 0 DBADRM Cc1cc(C)nc(C2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001364443224 982990912 /nfs/dbraw/zinc/99/09/12/982990912.db2.gz FPGPEFZFXQWYOK-UHFFFAOYSA-N -1 0 302.294 -0.071 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)CNC(=O)c1cccc(O)c1 ZINC001364511897 983031391 /nfs/dbraw/zinc/03/13/91/983031391.db2.gz IZINFPFXQCXMEB-UHFFFAOYSA-N -1 0 306.278 -0.131 20 0 DBADRM O=C(NCc1cc(C(F)(F)F)n[nH]1)c1n[nH]c(=O)[n-]c1=O ZINC001364535145 983043238 /nfs/dbraw/zinc/04/32/38/983043238.db2.gz NLSAPSDPWSLIDU-UHFFFAOYSA-N -1 0 304.188 -0.045 20 0 DBADRM Cc1n[nH]c(C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)c1[O-] ZINC001364549251 983050553 /nfs/dbraw/zinc/05/05/53/983050553.db2.gz LRQLRMMWVVJKPL-UHFFFAOYSA-N -1 0 305.294 -0.078 20 0 DBADRM O=c1cc(CN2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)nc2cc[n-]n21 ZINC001364552038 983051816 /nfs/dbraw/zinc/05/18/16/983051816.db2.gz YWEWLWZNGFHDDO-AOOOYVTPSA-N -1 0 308.363 -0.501 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)n1 ZINC001364566169 983054835 /nfs/dbraw/zinc/05/48/35/983054835.db2.gz AAKQMPNPIXUIHF-QMMMGPOBSA-N -1 0 301.310 -0.416 20 0 DBADRM COC(=O)c1ncn(CC(=O)CC[N-]C(=O)C(F)(F)F)n1 ZINC001364608799 983070078 /nfs/dbraw/zinc/07/00/78/983070078.db2.gz AXEMZIUSMYFKNB-UHFFFAOYSA-N -1 0 308.216 -0.298 20 0 DBADRM C[C@]1(CC(=O)NC2(C(=O)[O-])CCCC2)CCS(=O)(=O)N1 ZINC001573620073 983070337 /nfs/dbraw/zinc/07/03/37/983070337.db2.gz OAMMMIPPHXZDSC-LLVKDONJSA-N -1 0 304.368 -0.028 20 0 DBADRM COC(=O)[C@H](CC1CCOCC1)NC(=O)CCc1nnn[n-]1 ZINC001364620277 983073057 /nfs/dbraw/zinc/07/30/57/983073057.db2.gz MDDJVEFJBFMFQP-JTQLQIEISA-N -1 0 311.342 -0.393 20 0 DBADRM COCCN1C[C@H](C(=O)N(Cc2nnn[n-]2)CC(C)C)CC1=O ZINC001364652050 983086441 /nfs/dbraw/zinc/08/64/41/983086441.db2.gz QSBIGACWEZCUFY-LLVKDONJSA-N -1 0 324.385 -0.321 20 0 DBADRM NC(=O)c1ccc(OCC(=O)NC2(c3nnn[n-]3)CCC2)cc1 ZINC001364661636 983088345 /nfs/dbraw/zinc/08/83/45/983088345.db2.gz DVPIBVCGZJWPDT-UHFFFAOYSA-N -1 0 316.321 -0.127 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@]12CCOC2)Cc1n[nH]c(=O)[n-]1 ZINC001490268128 1014913199 /nfs/dbraw/zinc/91/31/99/1014913199.db2.gz HXPYBQRUFHLFIN-YGRLFVJLSA-N -1 0 309.370 -0.125 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001364739784 983115410 /nfs/dbraw/zinc/11/54/10/983115410.db2.gz GHDXJORTAQCBFA-PHDIDXHHSA-N -1 0 310.232 -0.085 20 0 DBADRM O=C(NCCN1CCNC1=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001364745864 983117627 /nfs/dbraw/zinc/11/76/27/983117627.db2.gz PUJPBVLQNBIUFG-VIFPVBQESA-N -1 0 323.357 -0.576 20 0 DBADRM CNC(=O)C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC001364751457 983120826 /nfs/dbraw/zinc/12/08/26/983120826.db2.gz YENOHVYLRHZBTH-LJQANCHMSA-N -1 0 323.371 -0.137 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@@H]1COCCO1 ZINC001364758101 983122306 /nfs/dbraw/zinc/12/23/06/983122306.db2.gz JJODFWFVVKXJCW-MRVPVSSYSA-N -1 0 305.308 -0.240 20 0 DBADRM O=c1[n-]c(CN2CCN(C[C@@H]3CCCS3(=O)=O)CC2)n[nH]1 ZINC001364783857 983133355 /nfs/dbraw/zinc/13/33/55/983133355.db2.gz ZLSYQOQXYSTUGF-JTQLQIEISA-N -1 0 315.399 -0.795 20 0 DBADRM Cc1nc(CS(=O)(=O)NCC(C)(C)S(C)(=O)=O)no1 ZINC001364788261 983135304 /nfs/dbraw/zinc/13/53/04/983135304.db2.gz KJRQNHNNTQPHHG-UHFFFAOYSA-N -1 0 311.385 -0.379 20 0 DBADRM CCOC(=O)[C@@H](NS(=O)(=O)CCN1CCOC1=O)C1CC1 ZINC001364797830 983138893 /nfs/dbraw/zinc/13/88/93/983138893.db2.gz FMGXVXYSTOECCP-JTQLQIEISA-N -1 0 320.367 -0.300 20 0 DBADRM CCOC(=O)[C@H](NS(=O)(=O)CCN1CCOC1=O)C1CC1 ZINC001364797833 983139551 /nfs/dbraw/zinc/13/95/51/983139551.db2.gz FMGXVXYSTOECCP-SNVBAGLBSA-N -1 0 320.367 -0.300 20 0 DBADRM COc1cc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)sn1 ZINC001364797163 983139802 /nfs/dbraw/zinc/13/98/02/983139802.db2.gz HLTXHGCTFWTMMW-VIFPVBQESA-N -1 0 318.424 -0.570 20 0 DBADRM CC[C@](C)(NS(=O)(=O)c1cc(C(=O)OC)[nH]n1)C(=O)OC ZINC001364798773 983140596 /nfs/dbraw/zinc/14/05/96/983140596.db2.gz SZTUMIOPXIUDTQ-NSHDSACASA-N -1 0 319.339 -0.184 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)CC1(C(=O)OC)CC1)C(=O)OC ZINC001364804741 983144092 /nfs/dbraw/zinc/14/40/92/983144092.db2.gz HGTPJDLOQNJSMJ-MRVPVSSYSA-N -1 0 309.340 -0.953 20 0 DBADRM COC[C@H](NC(=O)C1=CS(=O)(=O)CCC1)c1nnn[n-]1 ZINC001364811388 983145998 /nfs/dbraw/zinc/14/59/98/983145998.db2.gz AAJPDXIINTYGRN-QMMMGPOBSA-N -1 0 301.328 -0.904 20 0 DBADRM COC[C@H](NC(=O)c1cc(CN2CCCC2)on1)c1nnn[n-]1 ZINC001364811734 983147052 /nfs/dbraw/zinc/14/70/52/983147052.db2.gz CHTYQDGRSANQND-NSHDSACASA-N -1 0 321.341 -0.099 20 0 DBADRM COC[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)c1nnn[n-]1 ZINC001364812653 983149200 /nfs/dbraw/zinc/14/92/00/983149200.db2.gz FFLKQILRVDSCMQ-SSDOTTSWSA-N -1 0 305.360 -0.783 20 0 DBADRM COC[C@@H](NC(=O)[C@H](C)Oc1cccc(CO)c1)c1nnn[n-]1 ZINC001364814978 983150571 /nfs/dbraw/zinc/15/05/71/983150571.db2.gz OOSZKASCFBWMRA-JOYOIKCWSA-N -1 0 321.337 -0.037 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H]1CC2(CCC2)CO1 ZINC001364829790 983161316 /nfs/dbraw/zinc/16/13/16/983161316.db2.gz JEZWHWVKIYQXTP-MNOVXSKESA-N -1 0 321.395 -0.211 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2cc([O-])cc(F)c2)O1 ZINC001364829635 983161581 /nfs/dbraw/zinc/16/15/81/983161581.db2.gz KQJPSIWMAQJXHE-KOLCDFICSA-N -1 0 318.326 -0.158 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2cc([O-])cc(F)c2)O1 ZINC001364829632 983161673 /nfs/dbraw/zinc/16/16/73/983161673.db2.gz KQJPSIWMAQJXHE-GXSJLCMTSA-N -1 0 318.326 -0.158 20 0 DBADRM O=c1nc(CCNS(=O)(=O)C[C@@H]2CCC3(CCC3)O2)[n-]o1 ZINC001364832437 983162987 /nfs/dbraw/zinc/16/29/87/983162987.db2.gz IEEOCAVHWFTXEO-VIFPVBQESA-N -1 0 317.367 -0.074 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCCOC3)cc-2c(=O)[n-]1 ZINC001364835761 983165019 /nfs/dbraw/zinc/16/50/19/983165019.db2.gz JMMZKHQWSFOXQJ-UHFFFAOYSA-N -1 0 312.307 -0.196 20 0 DBADRM CS(=O)(=O)C1CCC(CNC(=O)CCc2nnn[n-]2)CC1 ZINC001364853830 983170391 /nfs/dbraw/zinc/17/03/91/983170391.db2.gz UOGPNPORUMGCAU-UHFFFAOYSA-N -1 0 315.399 -0.148 20 0 DBADRM Nc1ncc(S(=O)(=O)[N-]N2Cc3ccccc3C2=O)cn1 ZINC001364862472 983173446 /nfs/dbraw/zinc/17/34/46/983173446.db2.gz OTCLLEULLFCOKX-UHFFFAOYSA-N -1 0 305.319 -0.092 20 0 DBADRM CC(C)[C@](C)([N-]S(=O)(=O)N=S1(=O)CCCC1)C(N)=O ZINC001364860296 983173813 /nfs/dbraw/zinc/17/38/13/983173813.db2.gz ZAKIZKNAZZYNCD-JTQLQIEISA-N -1 0 311.429 -0.017 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@H](O)C[C@H](C)C2)n[nH]1 ZINC001364866975 983177151 /nfs/dbraw/zinc/17/71/51/983177151.db2.gz MDTTXVGRQQLUHO-JGVFFNPUSA-N -1 0 303.340 -0.412 20 0 DBADRM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)Cc1csc(C)n1 ZINC001364883423 983184527 /nfs/dbraw/zinc/18/45/27/983184527.db2.gz HVTZKLWYTGJSIK-JTQLQIEISA-N -1 0 308.381 -0.205 20 0 DBADRM COC(=O)[C@@](C)(CO)NS(=O)(=O)CC1(C)CCOCC1 ZINC001364886164 983185597 /nfs/dbraw/zinc/18/55/97/983185597.db2.gz YUXIZQDMDJEQJH-GFCCVEGCSA-N -1 0 309.384 -0.354 20 0 DBADRM CCOC(=O)c1cc(CS(=O)(=O)NC[C@@H]2COCO2)on1 ZINC001364885810 983185804 /nfs/dbraw/zinc/18/58/04/983185804.db2.gz VXPIAFUFHRAHJL-SECBINFHSA-N -1 0 320.323 -0.356 20 0 DBADRM CCn1nnc(C)c1C[N-]S(=O)(=O)c1c(C)onc1N ZINC001364893459 983188852 /nfs/dbraw/zinc/18/88/52/983188852.db2.gz LGJWOJGLFLMTSL-UHFFFAOYSA-N -1 0 300.344 -0.036 20 0 DBADRM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)N=S(C)(C)=O ZINC001364905034 983193376 /nfs/dbraw/zinc/19/33/76/983193376.db2.gz QGBKTHFVBFNSMC-QMMMGPOBSA-N -1 0 304.365 -0.160 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)[N-][C@@H](CCO)C(F)(F)F ZINC001364934439 983204116 /nfs/dbraw/zinc/20/41/16/983204116.db2.gz LECRLQPGJDIWFV-LURJTMIESA-N -1 0 313.319 -0.736 20 0 DBADRM COc1ncc(S(=O)(=O)NCCN2CCNC2=O)s1 ZINC001364932987 983204339 /nfs/dbraw/zinc/20/43/39/983204339.db2.gz APOYCUNATPRPNX-UHFFFAOYSA-N -1 0 306.369 -0.545 20 0 DBADRM COC(=O)C1(NS(=O)(=O)C[C@@H](OC)C(C)C)CC(CO)C1 ZINC001364978739 983219559 /nfs/dbraw/zinc/21/95/59/983219559.db2.gz QFEQVRAEWLCGSA-QWKFWESOSA-N -1 0 323.411 -0.109 20 0 DBADRM Cc1noc(C2(NS(=O)(=O)[C@H](C)C(=O)N(C)C)CC2)n1 ZINC001364979133 983220123 /nfs/dbraw/zinc/22/01/23/983220123.db2.gz XHMLRMYDFWFVEF-SSDOTTSWSA-N -1 0 302.356 -0.237 20 0 DBADRM COC[C@@H](O)C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC001364997643 983226911 /nfs/dbraw/zinc/22/69/11/983226911.db2.gz SNYQOOMEXSAXJR-OVWNDWIMSA-N -1 0 322.408 -0.015 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1nnc2n1CCC2 ZINC001365015980 983229465 /nfs/dbraw/zinc/22/94/65/983229465.db2.gz MSIUOAZSUFAMRR-UHFFFAOYSA-N -1 0 319.412 -0.180 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC001365041050 983238102 /nfs/dbraw/zinc/23/81/02/983238102.db2.gz JUGVAGMDVWEDMP-IAUWMGRQSA-N -1 0 324.358 -0.055 20 0 DBADRM CC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001532634217 1014926288 /nfs/dbraw/zinc/92/62/88/1014926288.db2.gz OUWUKFNVDQFDOV-PSASIEDQSA-N -1 0 311.342 -0.548 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)OC)C[C@H]21 ZINC001365056782 983244766 /nfs/dbraw/zinc/24/47/66/983244766.db2.gz UIHYQRLFNNOJCN-KYXWUPHJSA-N -1 0 308.342 -0.176 20 0 DBADRM CN(C)C(=O)CCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365094561 983256237 /nfs/dbraw/zinc/25/62/37/983256237.db2.gz XWLVJSWOIMBDMB-SECBINFHSA-N -1 0 310.358 -0.122 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C1CC1 ZINC001365134015 983270480 /nfs/dbraw/zinc/27/04/80/983270480.db2.gz HXMXLKKJDVTSFH-NTCNTBNZSA-N -1 0 313.401 -0.653 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCOC[C@@H]1CCO ZINC001365147755 983275609 /nfs/dbraw/zinc/27/56/09/983275609.db2.gz LBHOYMYBVIXBPW-VIFPVBQESA-N -1 0 300.315 -0.921 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N=S1(=O)CCOCC1 ZINC001365145441 983276005 /nfs/dbraw/zinc/27/60/05/983276005.db2.gz FPSVOISKCOHZTE-UHFFFAOYSA-N -1 0 304.328 -0.506 20 0 DBADRM CCOC(=O)[C@H](C)N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001365160439 983281494 /nfs/dbraw/zinc/28/14/94/983281494.db2.gz KGHOQOCHGZONQB-QMMMGPOBSA-N -1 0 300.315 -0.121 20 0 DBADRM O=C(NC[C@@]1(CO)COC[C@@H]2CCCN21)c1c[n-]ncc1=O ZINC001365164091 983282786 /nfs/dbraw/zinc/28/27/86/983282786.db2.gz DIIDPZPHLXPBIX-IINYFYTJSA-N -1 0 308.338 -0.862 20 0 DBADRM COC(=O)[C@@H](O)CCNC(=O)c1n[n-]c2ccccc2c1=O ZINC001365182240 983289042 /nfs/dbraw/zinc/28/90/42/983289042.db2.gz UCSKJKCLVQEAMI-JTQLQIEISA-N -1 0 305.290 -0.011 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC001365200616 983294635 /nfs/dbraw/zinc/29/46/35/983294635.db2.gz CBVFKMDWAQIVHW-RKDXNWHRSA-N -1 0 314.371 -0.702 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)C2)O1 ZINC001365201541 983295996 /nfs/dbraw/zinc/29/59/96/983295996.db2.gz PSALIWLTIFUYMX-NRUUGDAUSA-N -1 0 310.358 -0.037 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1 ZINC001365201544 983296284 /nfs/dbraw/zinc/29/62/84/983296284.db2.gz PSALIWLTIFUYMX-OUJBWJOFSA-N -1 0 310.358 -0.037 20 0 DBADRM CCOC(=O)[C@@H](CO)NS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001365379182 983355388 /nfs/dbraw/zinc/35/53/88/983355388.db2.gz IMSBELLABXJIJD-SNVBAGLBSA-N -1 0 307.299 -0.266 20 0 DBADRM CC(C)(C)OC(=O)[C@@](C)(O)CNS(=O)(=O)c1ncc[n-]1 ZINC001365381457 983357546 /nfs/dbraw/zinc/35/75/46/983357546.db2.gz SBEZJEYBCNUQAP-NSHDSACASA-N -1 0 305.356 -0.219 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]Cc1nnnn1CC1CC1 ZINC001365381955 983357888 /nfs/dbraw/zinc/35/78/88/983357888.db2.gz UKIGMUYRTBFVEH-UHFFFAOYSA-N -1 0 308.389 -0.855 20 0 DBADRM COC[C@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC001365395245 983362474 /nfs/dbraw/zinc/36/24/74/983362474.db2.gz NGDSIYVSTBWYNX-QPFGOUBPSA-N -1 0 302.418 -0.276 20 0 DBADRM CCN1C[C@H]([N-]S(=O)(=O)c2occc2C(=O)OC)CC1=O ZINC001365396649 983363949 /nfs/dbraw/zinc/36/39/49/983363949.db2.gz CTYPDMDTZVQJPT-MRVPVSSYSA-N -1 0 316.335 -0.035 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C(=O)OC(C)C)n[nH]1 ZINC001365403111 983367675 /nfs/dbraw/zinc/36/76/75/983367675.db2.gz OWSXOPJQPSHPSD-ZETCQYMHSA-N -1 0 319.339 -0.185 20 0 DBADRM COC[C@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC001365414279 983371990 /nfs/dbraw/zinc/37/19/90/983371990.db2.gz YYMLOKXXJIFOQJ-OVWNDWIMSA-N -1 0 322.408 -0.015 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@H](CO)[C@H]1CCCOC1 ZINC001365419311 983374201 /nfs/dbraw/zinc/37/42/01/983374201.db2.gz SGNULTSUSXEPLS-DTWKUNHWSA-N -1 0 300.402 -0.664 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001365452472 983392906 /nfs/dbraw/zinc/39/29/06/983392906.db2.gz VCVRXLZUUSNVSL-VIFPVBQESA-N -1 0 322.412 -0.640 20 0 DBADRM COC(=O)[C@@]1(O)CCN(S(=O)(=O)c2ccccc2[O-])C1 ZINC001365457761 983394771 /nfs/dbraw/zinc/39/47/71/983394771.db2.gz SWECSPSOPLUQPY-GFCCVEGCSA-N -1 0 301.320 -0.309 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)CCC(C)(C)S(C)(=O)=O)n1 ZINC001365458180 983395548 /nfs/dbraw/zinc/39/55/48/983395548.db2.gz SYQGERVRCDGAKT-UHFFFAOYSA-N -1 0 311.389 -0.835 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H](C(N)=O)C(C)C ZINC001365469996 983399784 /nfs/dbraw/zinc/39/97/84/983399784.db2.gz KDTDFABHYRVNMR-QMMMGPOBSA-N -1 0 304.324 -0.146 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001365499903 983404181 /nfs/dbraw/zinc/40/41/81/983404181.db2.gz AXBOIECPAVNJLQ-MRVPVSSYSA-N -1 0 319.329 -0.989 20 0 DBADRM Cn1cnc(CNC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC001365572526 983424884 /nfs/dbraw/zinc/42/48/84/983424884.db2.gz WZKNENVKLNUGGD-QMMMGPOBSA-N -1 0 306.330 -0.272 20 0 DBADRM O=C(CCn1cccn1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001365620774 983440356 /nfs/dbraw/zinc/44/03/56/983440356.db2.gz HGBIWTPNPKNCHS-UHFFFAOYSA-N -1 0 305.342 -0.559 20 0 DBADRM O=C(Cc1cncs1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001365632732 983446779 /nfs/dbraw/zinc/44/67/79/983446779.db2.gz ROBQCMBWGFUEQQ-UHFFFAOYSA-N -1 0 308.367 -0.146 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)OC ZINC001365683926 983477572 /nfs/dbraw/zinc/47/75/72/983477572.db2.gz IPSYZFKVVBTSQA-VIFPVBQESA-N -1 0 323.367 -0.563 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](CO)[C@@H]1CCOC1 ZINC001365686348 983479309 /nfs/dbraw/zinc/47/93/09/983479309.db2.gz CFKIORILQFBAPZ-ZJUUUORDSA-N -1 0 314.429 -0.274 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](CO)[C@H]1CCOC1 ZINC001365686343 983479908 /nfs/dbraw/zinc/47/99/08/983479908.db2.gz CFKIORILQFBAPZ-UWVGGRQHSA-N -1 0 314.429 -0.274 20 0 DBADRM CCN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(C)(C)C(=O)[O-] ZINC001596133088 983481222 /nfs/dbraw/zinc/48/12/22/983481222.db2.gz DRRQGNTVPMEGLU-FPLPWBNLSA-N -1 0 323.349 -0.191 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN([C@@H]3CCCN(C)C3=O)CC2)c1[O-] ZINC001365694774 983483051 /nfs/dbraw/zinc/48/30/51/983483051.db2.gz RSYDRCTYCQZXRD-LLVKDONJSA-N -1 0 321.381 -0.198 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN([C@H]3CCCN(C)C3=O)CC2)c1[O-] ZINC001365694777 983483473 /nfs/dbraw/zinc/48/34/73/983483473.db2.gz RSYDRCTYCQZXRD-NSHDSACASA-N -1 0 321.381 -0.198 20 0 DBADRM CC[C@]1(O)CCN(S(=O)(=O)c2cc(C(=O)OC)[nH]n2)C1 ZINC001365702277 983487228 /nfs/dbraw/zinc/48/72/28/983487228.db2.gz PSPISDQLSYHJHJ-NSHDSACASA-N -1 0 303.340 -0.268 20 0 DBADRM Cc1nnsc1C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001365710126 983493632 /nfs/dbraw/zinc/49/36/32/983493632.db2.gz IQLUMPDOFUTLDN-QGZVFWFLSA-N -1 0 313.430 -0.245 20 0 DBADRM CC[C@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)OC)C(=O)NC ZINC001365715158 983495522 /nfs/dbraw/zinc/49/55/22/983495522.db2.gz JWZVYZLNKHUBFP-ZETCQYMHSA-N -1 0 318.355 -0.692 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1csnc1C(=O)OC)C(=O)NC ZINC001365715242 983495605 /nfs/dbraw/zinc/49/56/05/983495605.db2.gz NADMZVBFAZRBER-ZCFIWIBFSA-N -1 0 321.380 -0.267 20 0 DBADRM C[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C1N=NC(=O)N1C ZINC001365718764 983499710 /nfs/dbraw/zinc/49/97/10/983499710.db2.gz PKYVEEKCDXNQBU-SSDOTTSWSA-N -1 0 323.400 -0.322 20 0 DBADRM CCN(C(=O)NCCC(=O)NCCC(=O)[O-])[C@@H]1CCOC1 ZINC001596149175 983506965 /nfs/dbraw/zinc/50/69/65/983506965.db2.gz NSXDVDPBPXZZOC-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccccc1[O-] ZINC001365736785 983511815 /nfs/dbraw/zinc/51/18/15/983511815.db2.gz GRRSOLCSISGPJX-JTQLQIEISA-N -1 0 324.362 -0.249 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)[N-][C@H](C(=O)OC)[C@@H](C)O)CCC1 ZINC001365735302 983512630 /nfs/dbraw/zinc/51/26/30/983512630.db2.gz PAZAWLVUOASYGP-BDAKNGLRSA-N -1 0 323.367 -0.686 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@@H](CO)C[C@H]1CCCO1 ZINC001365737955 983515330 /nfs/dbraw/zinc/51/53/30/983515330.db2.gz UBYOGQLVFKICLU-RKDXNWHRSA-N -1 0 300.402 -0.522 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[C@H]2C(=O)OC)on1 ZINC001365739990 983518237 /nfs/dbraw/zinc/51/82/37/983518237.db2.gz JSQNPSLSDIKVAH-RQJHMYQMSA-N -1 0 318.307 -0.309 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](CCSC)C(=O)N(C)C ZINC001365819123 983541701 /nfs/dbraw/zinc/54/17/01/983541701.db2.gz BCAYGDAJGIRKNS-QMMMGPOBSA-N -1 0 315.403 -0.554 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC1(OCCO)CCCCC1 ZINC001365818872 983542358 /nfs/dbraw/zinc/54/23/58/983542358.db2.gz AFDAMNIDALHSKH-UHFFFAOYSA-N -1 0 312.374 -0.052 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H]1CCC2(CCOCC2)O1 ZINC001365823361 983543921 /nfs/dbraw/zinc/54/39/21/983543921.db2.gz QCTACSGJQQMHIE-SNVBAGLBSA-N -1 0 310.358 -0.035 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](NCc2cn(C)nn2)C2CC2)c1[O-] ZINC001366031759 983660978 /nfs/dbraw/zinc/66/09/78/983660978.db2.gz KPJHJGFFIQJYOV-NSHDSACASA-N -1 0 319.369 -0.150 20 0 DBADRM CN(CCN(C)C(=O)C1CC=CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001532932455 1014967359 /nfs/dbraw/zinc/96/73/59/1014967359.db2.gz JXUYURJTRSPDEL-UHFFFAOYSA-N -1 0 323.353 -0.428 20 0 DBADRM O=C(CCc1c[nH]cn1)N[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001366111553 983701624 /nfs/dbraw/zinc/70/16/24/983701624.db2.gz FPHYTSWHJGXQJY-MGCOHNPYSA-N -1 0 305.342 -0.397 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366180116 983733610 /nfs/dbraw/zinc/73/36/10/983733610.db2.gz KQNSVACFPWUGBY-ONGXEEELSA-N -1 0 324.385 -0.637 20 0 DBADRM COC[C@@H](C)[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001366238025 983749237 /nfs/dbraw/zinc/74/92/37/983749237.db2.gz LJALBHARWIAXCS-YFVNTRNASA-N -1 0 323.397 -0.025 20 0 DBADRM C[C@@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)NCc1ccon1 ZINC001366302681 983791024 /nfs/dbraw/zinc/79/10/24/983791024.db2.gz FEOYNOGTAKHKKQ-VIFPVBQESA-N -1 0 324.341 -0.248 20 0 DBADRM CCN1CC[C@@H](N(C)CCNC(=O)c2[nH]nc(C)c2[O-])C1=O ZINC001366520215 983846836 /nfs/dbraw/zinc/84/68/36/983846836.db2.gz IZRJVCKFOLGISB-SNVBAGLBSA-N -1 0 309.370 -0.294 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001533026162 1014983572 /nfs/dbraw/zinc/98/35/72/1014983572.db2.gz MVLBKTVGRMUGPW-RKDXNWHRSA-N -1 0 323.353 -0.141 20 0 DBADRM CCOc1cc(C(=O)NCCN(C)Cc2nn(C)c(=O)[n-]2)on1 ZINC001366551393 983858312 /nfs/dbraw/zinc/85/83/12/983858312.db2.gz OOBNBFPGNSQFSC-UHFFFAOYSA-N -1 0 324.341 -0.643 20 0 DBADRM CN(CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)CCCF ZINC001533031327 1014983949 /nfs/dbraw/zinc/98/39/49/1014983949.db2.gz BJGAJFGSBZMWEY-UHFFFAOYSA-N -1 0 317.321 -0.644 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1cncs1 ZINC001366586994 983870611 /nfs/dbraw/zinc/87/06/11/983870611.db2.gz NZRCRACKBHUJGH-UHFFFAOYSA-N -1 0 312.355 -0.606 20 0 DBADRM CCN(CCNC(=O)c1c[nH]c(=O)n1C)Cc1n[nH]c(=O)[n-]1 ZINC001366627297 983882343 /nfs/dbraw/zinc/88/23/43/983882343.db2.gz RPTLNBYFTOKEOC-UHFFFAOYSA-N -1 0 309.330 -0.799 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NC[C@@H]1CCCN1CCF ZINC001366663294 983895283 /nfs/dbraw/zinc/89/52/83/983895283.db2.gz OKAWSIHFYGUJFZ-VIFPVBQESA-N -1 0 313.333 -0.235 20 0 DBADRM O=C(CCn1ccnc1)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001366661951 983895298 /nfs/dbraw/zinc/89/52/98/983895298.db2.gz PTQJEOBXUKYYJV-LLVKDONJSA-N -1 0 319.369 -0.122 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@]1(F)CCOC1 ZINC001366670282 983897561 /nfs/dbraw/zinc/89/75/61/983897561.db2.gz SVFAJLBAKCMFJP-RNCFNFMXSA-N -1 0 313.333 -0.281 20 0 DBADRM O=C(Cc1c[nH]cn1)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001366674794 983899358 /nfs/dbraw/zinc/89/93/58/983899358.db2.gz URNLEWVPSLGXJY-SNVBAGLBSA-N -1 0 305.342 -0.443 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN(Cc2ccon2)C1 ZINC001366711360 983936561 /nfs/dbraw/zinc/93/65/61/983936561.db2.gz JJADVGKESGILLR-SECBINFHSA-N -1 0 322.325 -0.684 20 0 DBADRM CC(=O)N(C)CC(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001366737600 983957502 /nfs/dbraw/zinc/95/75/02/983957502.db2.gz YBSNISIJLCILPK-UHFFFAOYSA-N -1 0 310.358 -0.931 20 0 DBADRM CO[C@H](C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001367058773 984174004 /nfs/dbraw/zinc/17/40/04/984174004.db2.gz UKERMBQDAGRAOW-JQWIXIFHSA-N -1 0 309.370 -0.032 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1nocc1C ZINC001367134447 984197301 /nfs/dbraw/zinc/19/73/01/984197301.db2.gz LNFKTEXAFURNAN-VIFPVBQESA-N -1 0 324.341 -0.330 20 0 DBADRM COc1cncc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001367839691 984697211 /nfs/dbraw/zinc/69/72/11/984697211.db2.gz XCSODOKSFXEPRI-QMMMGPOBSA-N -1 0 321.341 -0.441 20 0 DBADRM Cc1cc(CN(C)C[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)on1 ZINC001367854240 984710722 /nfs/dbraw/zinc/71/07/22/984710722.db2.gz TYWUMBDXBDTPHK-VIFPVBQESA-N -1 0 324.341 -0.378 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](NCc2cnn(C)n2)C2CC2)c1[O-] ZINC001490650901 1015068162 /nfs/dbraw/zinc/06/81/62/1015068162.db2.gz ACLUYSYVOIWLAN-LLVKDONJSA-N -1 0 319.369 -0.150 20 0 DBADRM CCNC(=O)CCC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001367934391 984806775 /nfs/dbraw/zinc/80/67/75/984806775.db2.gz LDKKQQUZJDYHPF-VIFPVBQESA-N -1 0 310.358 -0.883 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001367938954 984809092 /nfs/dbraw/zinc/80/90/92/984809092.db2.gz JVPDMDSXUXCSDX-DTWKUNHWSA-N -1 0 309.326 -0.846 20 0 DBADRM O=C(CCc1cncnc1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001367950710 984814040 /nfs/dbraw/zinc/81/40/40/984814040.db2.gz JWSPQHYPBVFULY-LLVKDONJSA-N -1 0 317.353 -0.376 20 0 DBADRM O=C(CCc1cncnc1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001367950714 984814904 /nfs/dbraw/zinc/81/49/04/984814904.db2.gz JWSPQHYPBVFULY-NSHDSACASA-N -1 0 317.353 -0.376 20 0 DBADRM Cc1noc(CCC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001367954434 984816070 /nfs/dbraw/zinc/81/60/70/984816070.db2.gz URELKWRWSAUZIU-SECBINFHSA-N -1 0 321.341 -0.475 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1Cc1cncs1 ZINC001367974756 984825614 /nfs/dbraw/zinc/82/56/14/984825614.db2.gz UQIWCNURZZBASR-MRVPVSSYSA-N -1 0 324.366 -0.464 20 0 DBADRM CCOc1nc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)co1 ZINC001368008500 984841193 /nfs/dbraw/zinc/84/11/93/984841193.db2.gz WPNACKBMTCBXEM-UHFFFAOYSA-N -1 0 322.325 -0.051 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001368022991 984846224 /nfs/dbraw/zinc/84/62/24/984846224.db2.gz SATZYJFNIWOUAF-SECBINFHSA-N -1 0 310.358 -0.837 20 0 DBADRM Cc1cc(CNC2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)no1 ZINC001368034958 984849359 /nfs/dbraw/zinc/84/93/59/984849359.db2.gz GEYHJQFNXKQWNU-UHFFFAOYSA-N -1 0 322.325 -0.576 20 0 DBADRM Cn1cc(CC(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001368147633 984884161 /nfs/dbraw/zinc/88/41/61/984884161.db2.gz BTPOGWOWHDCUPV-AWEZNQCLSA-N -1 0 319.369 -0.433 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccncc1 ZINC001368263612 985002024 /nfs/dbraw/zinc/00/20/24/985002024.db2.gz XZZDKSBAJYGZKC-CQSZACIVSA-N -1 0 318.337 -0.728 20 0 DBADRM O=C(Cc1ccc[nH]1)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368275168 985017069 /nfs/dbraw/zinc/01/70/69/985017069.db2.gz JYVUZIZJWZRJKU-CQSZACIVSA-N -1 0 320.353 -0.866 20 0 DBADRM CC[C@@H]1CCC[C@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368315774 985083771 /nfs/dbraw/zinc/08/37/71/985083771.db2.gz NHPHPHYROCEHKZ-GHMZBOCLSA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(CCCF)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001368609019 985304981 /nfs/dbraw/zinc/30/49/81/985304981.db2.gz AXBIOHXIGKNZBU-CYBMUJFWSA-N -1 0 315.349 -0.297 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001368614849 985309534 /nfs/dbraw/zinc/30/95/34/985309534.db2.gz NUGOZDZHPGBGGJ-GPCCPHFNSA-N -1 0 309.370 -0.391 20 0 DBADRM CCN1CCO[C@@H](C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001596442715 1017147568 /nfs/dbraw/zinc/14/75/68/1017147568.db2.gz PBZYFKKGLIZYIU-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM CN(CCF)C[C@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001368816011 985469406 /nfs/dbraw/zinc/46/94/06/985469406.db2.gz ODDIFZGRLBDXNW-SECBINFHSA-N -1 0 301.322 -0.418 20 0 DBADRM C[C@@H](CNC(=O)c1cc2n(n1)CCO2)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001368958473 985605566 /nfs/dbraw/zinc/60/55/66/985605566.db2.gz UXZNNPROVTUVMW-QMMMGPOBSA-N -1 0 321.341 -0.651 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369030178 985676096 /nfs/dbraw/zinc/67/60/96/985676096.db2.gz RZIFTVILKDGKTD-GHMZBOCLSA-N -1 0 323.397 -0.001 20 0 DBADRM C[C@H](NC(=O)C[C@H]1CCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369085562 985709089 /nfs/dbraw/zinc/70/90/89/985709089.db2.gz HZJDPZRMHWKAFY-VHSXEESVSA-N -1 0 309.370 -0.127 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001533356538 1015157616 /nfs/dbraw/zinc/15/76/16/1015157616.db2.gz WDUPWUMOUVHNFK-HVSMVGKISA-N -1 0 309.326 -0.866 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)N(C)c2nnn[n-]2)c(C(=O)[O-])c1C ZINC001589233511 985789780 /nfs/dbraw/zinc/78/97/80/985789780.db2.gz HXNPFWAQKDRRPG-UHFFFAOYSA-N -1 0 306.282 -0.057 20 0 DBADRM CC[C@@H](C)C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001533381873 1015161728 /nfs/dbraw/zinc/16/17/28/1015161728.db2.gz KDVYLRLHEPHXDV-PULIVWKDSA-N -1 0 309.326 -0.269 20 0 DBADRM CC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])cc1 ZINC001589301196 986055842 /nfs/dbraw/zinc/05/58/42/986055842.db2.gz RCPYXOCRULURGP-LLVKDONJSA-N -1 0 308.290 -0.221 20 0 DBADRM CCNC(=O)CC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001491006749 1015189649 /nfs/dbraw/zinc/18/96/49/1015189649.db2.gz YBCPIYYBSGTHCZ-UHFFFAOYSA-N -1 0 323.353 -0.766 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)NC(=O)C1CCC1 ZINC001369658137 986315814 /nfs/dbraw/zinc/31/58/14/986315814.db2.gz NWOQCYMEZHVJPK-YUMQZZPRSA-N -1 0 311.342 -0.501 20 0 DBADRM CC(C)[C@@H](O)C(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001369746515 986347412 /nfs/dbraw/zinc/34/74/12/986347412.db2.gz CTFYLOGSPIXBGS-GFCCVEGCSA-N -1 0 311.386 -0.050 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)c2cnon2)c1[O-] ZINC001369817473 986382647 /nfs/dbraw/zinc/38/26/47/986382647.db2.gz AJZZCSSSVABJCS-LURJTMIESA-N -1 0 308.298 -0.303 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001370596143 986813378 /nfs/dbraw/zinc/81/33/78/986813378.db2.gz YEBNYQSDIOIEBB-SNXWAXQRSA-N -1 0 322.365 -0.107 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)C2CC3(CC3)C2)c1[O-] ZINC001370679140 986877818 /nfs/dbraw/zinc/87/78/18/986877818.db2.gz GUARTCOBVVMWOU-SNVBAGLBSA-N -1 0 322.365 -0.179 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001370758449 986968755 /nfs/dbraw/zinc/96/87/55/986968755.db2.gz MFMWTHJVYRDTLI-UWVGGRQHSA-N -1 0 324.385 -0.650 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001370759169 986971871 /nfs/dbraw/zinc/97/18/71/986971871.db2.gz MFMWTHJVYRDTLI-VHSXEESVSA-N -1 0 324.385 -0.650 20 0 DBADRM O=C(CCC1CC1)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001534739700 1015276009 /nfs/dbraw/zinc/27/60/09/1015276009.db2.gz FHLJCUKJBOLANQ-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM CCC(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001370964689 987090027 /nfs/dbraw/zinc/09/00/27/987090027.db2.gz SJAQVZZBKHMIRJ-DTWKUNHWSA-N -1 0 311.342 -0.500 20 0 DBADRM CCC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001370964691 987090704 /nfs/dbraw/zinc/09/07/04/987090704.db2.gz SJAQVZZBKHMIRJ-IUCAKERBSA-N -1 0 311.342 -0.500 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001491196461 1015285551 /nfs/dbraw/zinc/28/55/51/1015285551.db2.gz JVWKJYZEHQJZOB-NSHDSACASA-N -1 0 324.385 -0.541 20 0 DBADRM CCC(=O)NCC(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001491202514 1015288514 /nfs/dbraw/zinc/28/85/14/1015288514.db2.gz DCVDLFXPHSRHMZ-JTQLQIEISA-N -1 0 324.385 -0.493 20 0 DBADRM CCN(C(=O)C1CC1)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001371363002 987326811 /nfs/dbraw/zinc/32/68/11/987326811.db2.gz OHSSITLNUSZBTA-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)N1CC[C@H]2CN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001371429620 987344568 /nfs/dbraw/zinc/34/45/68/987344568.db2.gz UEKQUVDLZAFODG-WDEREUQCSA-N -1 0 323.353 -0.451 20 0 DBADRM CCN1C[C@H](C(=O)NCCNC(=O)c2[nH]nc(C)c2[O-])CC1=O ZINC001491233876 1015301025 /nfs/dbraw/zinc/30/10/25/1015301025.db2.gz XCYVCGVUPNRHFK-SECBINFHSA-N -1 0 323.353 -0.862 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001534987431 1015315091 /nfs/dbraw/zinc/31/50/91/1015315091.db2.gz ZRLBJQLBTUVGAO-UHFFFAOYSA-N -1 0 315.268 -0.431 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)[C@@H](C)c2nncn2C)c1[O-] ZINC001371947235 987565067 /nfs/dbraw/zinc/56/50/67/987565067.db2.gz WPODOMQEMXFGGH-VIFPVBQESA-N -1 0 307.358 -0.025 20 0 DBADRM COCc1noc(CN(C)CCNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001371944493 987566143 /nfs/dbraw/zinc/56/61/43/987566143.db2.gz HLCMCKTYRLLHQT-UHFFFAOYSA-N -1 0 324.341 -0.185 20 0 DBADRM CCCCC(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001371963949 987571324 /nfs/dbraw/zinc/57/13/24/987571324.db2.gz QFHLTXMNNKSLFA-UHFFFAOYSA-N -1 0 322.365 -0.040 20 0 DBADRM COc1cc(CCC(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)on1 ZINC001371980997 987589572 /nfs/dbraw/zinc/58/95/72/987589572.db2.gz TUSDSBFNNCMZMI-UHFFFAOYSA-N -1 0 324.341 -0.312 20 0 DBADRM CCNC(=O)N1CCN([C@@H](CCC(=O)[O-])C(=O)OC)CC1 ZINC001596468366 1017152950 /nfs/dbraw/zinc/15/29/50/1017152950.db2.gz IZXJVIJHUBPSID-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001372283588 987713425 /nfs/dbraw/zinc/71/34/25/987713425.db2.gz RMZHCDOVWWVDQX-MRVPVSSYSA-N -1 0 309.326 -0.658 20 0 DBADRM Cn1[nH]c(CN2CCC[C@H]2CNC(=O)CC2(O)CCC2)nc1=O ZINC001372508884 987787770 /nfs/dbraw/zinc/78/77/70/987787770.db2.gz SULFSYXVPJCORG-NSHDSACASA-N -1 0 323.397 -0.506 20 0 DBADRM O=C(CCc1c[nH]cn1)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001372521795 987791942 /nfs/dbraw/zinc/79/19/42/987791942.db2.gz KSGNSBCWKSNIMN-LLVKDONJSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1cncn1CC(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001372820943 987896855 /nfs/dbraw/zinc/89/68/55/987896855.db2.gz LLFAKXOZIBWEHL-QMMMGPOBSA-N -1 0 320.353 -0.137 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@]2(F)CCOC2)c1[O-] ZINC001372825146 987898880 /nfs/dbraw/zinc/89/88/80/987898880.db2.gz RFVBJXINUONEGZ-CPFSXVBKSA-N -1 0 314.317 -0.213 20 0 DBADRM Cc1cnn(C)c1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001372847791 987913757 /nfs/dbraw/zinc/91/37/57/987913757.db2.gz LGPOWURSLMUAKQ-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CC1(C)C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001372852895 987920041 /nfs/dbraw/zinc/92/00/41/987920041.db2.gz NVBFRUPZBCSSEL-WPRPVWTQSA-N -1 0 322.365 -0.234 20 0 DBADRM C[C@@H](CNC(=O)C[C@H](C)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001372925983 987969575 /nfs/dbraw/zinc/96/95/75/987969575.db2.gz NXPSEPUJFFWFCC-YUMQZZPRSA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN[C@@H](C)c2nnnn2C)c1[O-] ZINC001372942732 987982723 /nfs/dbraw/zinc/98/27/23/987982723.db2.gz QZCVNBGAWXZVEI-QMMMGPOBSA-N -1 0 308.346 -0.630 20 0 DBADRM C[C@H](CNC(=O)CCc1cn[nH]n1)NC(=O)c1ncccc1O ZINC001373109104 988096381 /nfs/dbraw/zinc/09/63/81/988096381.db2.gz VRTLRVUSBKZVFZ-SECBINFHSA-N -1 0 318.337 -0.227 20 0 DBADRM C[C@H]1CCC[C@@H]1CC(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001491358553 1015368902 /nfs/dbraw/zinc/36/89/02/1015368902.db2.gz MFOFHUFGQDSBSF-DTWKUNHWSA-N -1 0 323.353 -0.045 20 0 DBADRM C[C@@H]1CCC[C@@H]1CC(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001491358557 1015369636 /nfs/dbraw/zinc/36/96/36/1015369636.db2.gz MFOFHUFGQDSBSF-RKDXNWHRSA-N -1 0 323.353 -0.045 20 0 DBADRM CCNC(=O)CCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373368458 988270364 /nfs/dbraw/zinc/27/03/64/988270364.db2.gz AOJCQPIEBHUIGG-SNVBAGLBSA-N -1 0 324.385 -0.493 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2n[nH]cc2F)c1[O-] ZINC001373400455 988313205 /nfs/dbraw/zinc/31/32/05/988313205.db2.gz CBNFQXOLTIAPLP-UHFFFAOYSA-N -1 0 310.289 -0.212 20 0 DBADRM CC[C@H](F)C(=O)N(C)CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001373452910 988362498 /nfs/dbraw/zinc/36/24/98/988362498.db2.gz KSEYRBKDUIPCPB-JTQLQIEISA-N -1 0 323.328 -0.041 20 0 DBADRM CC(C)OCCN1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001373462564 988373713 /nfs/dbraw/zinc/37/37/13/988373713.db2.gz MSWKONLOOGVTGX-UHFFFAOYSA-N -1 0 319.365 -0.138 20 0 DBADRM O=C(CCCn1ccnc1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373484691 988389640 /nfs/dbraw/zinc/38/96/40/988389640.db2.gz QHICMXAFQGAXCE-UHFFFAOYSA-N -1 0 305.342 -0.512 20 0 DBADRM CCC(C)(C)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001373584294 988468249 /nfs/dbraw/zinc/46/82/49/988468249.db2.gz AENUNTTZRGFVNO-UHFFFAOYSA-N -1 0 311.342 -0.093 20 0 DBADRM CC(C)C1(C(=O)N(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001373587299 988470539 /nfs/dbraw/zinc/47/05/39/988470539.db2.gz ULUQPEVAOAQOSN-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM CS[C@H](C)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001373585377 988470613 /nfs/dbraw/zinc/47/06/13/988470613.db2.gz IPISKOBSEJVQSA-ZCFIWIBFSA-N -1 0 315.355 -0.778 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2cn(C)c(=O)[nH]2)c1[O-] ZINC001373660034 988532074 /nfs/dbraw/zinc/53/20/74/988532074.db2.gz HWQVWKRBZLHQDR-UHFFFAOYSA-N -1 0 322.325 -0.635 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N[C@]1(CC(=O)[O-])CCOC1)C(C)=O ZINC001596525424 1017154471 /nfs/dbraw/zinc/15/44/71/1017154471.db2.gz BSZZLSDAFUCGLA-HZMBPMFUSA-N -1 0 315.322 -0.105 20 0 DBADRM CC1(C(=O)NC[C@@H]2CCCN2C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001374017639 988730865 /nfs/dbraw/zinc/73/08/65/988730865.db2.gz KCCUTXOTPPPNNA-QMMMGPOBSA-N -1 0 321.337 -0.196 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN([C@H](C)c3nnnn3C)CC2)c1[O-] ZINC001374069774 988766389 /nfs/dbraw/zinc/76/63/89/988766389.db2.gz BZEFNWLBOJVXCK-SECBINFHSA-N -1 0 320.357 -0.534 20 0 DBADRM O=C(Cc1cnoc1)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001374134541 988800260 /nfs/dbraw/zinc/80/02/60/988800260.db2.gz SGAFYWYFZWYDAI-JTQLQIEISA-N -1 0 322.325 -0.942 20 0 DBADRM C[C@H](CNCc1ccon1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001374313094 988856817 /nfs/dbraw/zinc/85/68/17/988856817.db2.gz CJQZUBFZJIBRNO-MRVPVSSYSA-N -1 0 310.314 -0.686 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001596495601 1017155003 /nfs/dbraw/zinc/15/50/03/1017155003.db2.gz BNLRULAYVPNNFF-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM CCC(=O)N(C)C[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001374480493 988886462 /nfs/dbraw/zinc/88/64/62/988886462.db2.gz XYOHRSDTNVPSSM-QMMMGPOBSA-N -1 0 309.326 -0.387 20 0 DBADRM C/C=C(\C)C(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001536329537 1015429051 /nfs/dbraw/zinc/42/90/51/1015429051.db2.gz ORSCOSHQXOPDHA-QPJJXVBHSA-N -1 0 307.310 -0.468 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1Nc1ccnc(C(=O)[O-])n1 ZINC001599864055 989215167 /nfs/dbraw/zinc/21/51/67/989215167.db2.gz LNXUQQDBMWSNKL-VXNVDRBHSA-N -1 0 318.293 -0.448 20 0 DBADRM C[C@@H]1CN([C@H]2CCCN(CCC(=O)[O-])C2=O)CCS1(=O)=O ZINC001599865065 989235016 /nfs/dbraw/zinc/23/50/16/989235016.db2.gz SPDFFIAQZRGVHW-MNOVXSKESA-N -1 0 318.395 -0.429 20 0 DBADRM CCC[C@@H](C)C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001374873474 989274723 /nfs/dbraw/zinc/27/47/23/989274723.db2.gz KUEHXKASMCENGT-MRVPVSSYSA-N -1 0 323.353 -0.093 20 0 DBADRM CC[C@H](CNC(=O)CC1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001374979721 989343382 /nfs/dbraw/zinc/34/33/82/989343382.db2.gz MCEJGAIILWXPFC-MRVPVSSYSA-N -1 0 309.326 -0.293 20 0 DBADRM CC[C@@H](CNC(=O)CC1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001374979722 989344329 /nfs/dbraw/zinc/34/43/29/989344329.db2.gz MCEJGAIILWXPFC-QMMMGPOBSA-N -1 0 309.326 -0.293 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001599877181 989434404 /nfs/dbraw/zinc/43/44/04/989434404.db2.gz JSEXZLQWDWVDNN-GHMZBOCLSA-N -1 0 318.395 -0.572 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(Cn2ccccc2=O)o1 ZINC001536984812 1015482467 /nfs/dbraw/zinc/48/24/67/1015482467.db2.gz NUXLXQXTTPKKKZ-UHFFFAOYSA-N -1 0 305.290 -0.103 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2CC(=O)NCC2CC2)c1[O-] ZINC001375301880 989540639 /nfs/dbraw/zinc/54/06/39/989540639.db2.gz LAVAJAONYWZHLD-LLVKDONJSA-N -1 0 321.381 -0.246 20 0 DBADRM Cc1ncc(CC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)o1 ZINC001375314041 989549941 /nfs/dbraw/zinc/54/99/41/989549941.db2.gz GQZRBNFRSRLQAG-SECBINFHSA-N -1 0 306.326 -0.260 20 0 DBADRM Cc1ncn(C)c1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001375433745 989600555 /nfs/dbraw/zinc/60/05/55/989600555.db2.gz SVHBMESRTVTUSI-UHFFFAOYSA-N -1 0 305.342 -0.396 20 0 DBADRM CCOCC1(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001375690404 989747288 /nfs/dbraw/zinc/74/72/88/989747288.db2.gz JPZHJDMVZOCPIU-UHFFFAOYSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C(=O)CCc1ncccn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375717354 989767238 /nfs/dbraw/zinc/76/72/38/989767238.db2.gz RSOKDHICPMIQJX-UHFFFAOYSA-N -1 0 317.353 -0.424 20 0 DBADRM CC1(NC(=O)Cn2cncn2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001375780728 989805297 /nfs/dbraw/zinc/80/52/97/989805297.db2.gz HYNSLDYZWDNNRO-UHFFFAOYSA-N -1 0 320.357 -0.727 20 0 DBADRM Cc1ccc(C(=O)NC[C@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001375997166 989836319 /nfs/dbraw/zinc/83/63/19/989836319.db2.gz NRUWUTHSDUWERT-CQSZACIVSA-N -1 0 321.337 -0.221 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CCCN(CCF)C1 ZINC001376061764 989863217 /nfs/dbraw/zinc/86/32/17/989863217.db2.gz REJCCQLBRHCZSH-SECBINFHSA-N -1 0 313.333 -0.235 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)NC(C)C)C2)c1[O-] ZINC001376111958 989887200 /nfs/dbraw/zinc/88/72/00/989887200.db2.gz IUWIRZQOGQLMSB-JTQLQIEISA-N -1 0 309.370 -0.248 20 0 DBADRM CCC(=O)NCC1(O)CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001376113999 989888798 /nfs/dbraw/zinc/88/87/98/989888798.db2.gz BHLWLZLOBDGQIK-UHFFFAOYSA-N -1 0 305.338 -0.905 20 0 DBADRM CO[N-]C(=O)CNC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC001539090695 1015517168 /nfs/dbraw/zinc/51/71/68/1015517168.db2.gz CWWKZSSAXWSFTC-UHFFFAOYSA-N -1 0 315.351 -0.899 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(C)c(S(C)(=O)=O)c1 ZINC001539091005 1015517810 /nfs/dbraw/zinc/51/78/10/1015517810.db2.gz IDLVXPNCLQMALR-UHFFFAOYSA-N -1 0 300.336 -0.194 20 0 DBADRM Cn1[nH]c(C[NH2+][C@@H](CNC(=O)c2cocn2)C2CC2)nc1=O ZINC001376200002 989944424 /nfs/dbraw/zinc/94/44/24/989944424.db2.gz PHXJQHBWEGQVTN-VIFPVBQESA-N -1 0 306.326 -0.605 20 0 DBADRM Cc1cccn2cc(CNC(=O)Cn3c(=O)[n-][nH]c3=O)nc12 ZINC001542926672 1015532817 /nfs/dbraw/zinc/53/28/17/1015532817.db2.gz JHTLXNCCVILFKB-UHFFFAOYSA-N -1 0 302.294 -0.038 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376455673 990074720 /nfs/dbraw/zinc/07/47/20/990074720.db2.gz FRUVUEJMIJRHDX-MEBBXXQBSA-N -1 0 323.397 -0.001 20 0 DBADRM CC1(C)C[C@H]1C(=O)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376455674 990075478 /nfs/dbraw/zinc/07/54/78/990075478.db2.gz FRUVUEJMIJRHDX-ZUZCIYMTSA-N -1 0 323.397 -0.001 20 0 DBADRM CCCC(=O)NC[C@@H](O)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001376471274 990091023 /nfs/dbraw/zinc/09/10/23/990091023.db2.gz HXSFUSOKGQIPOX-SECBINFHSA-N -1 0 321.337 -0.970 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376515042 990137294 /nfs/dbraw/zinc/13/72/94/990137294.db2.gz PGOAMBXQCSVNJR-LLVKDONJSA-N -1 0 324.385 -0.683 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)c3c[n-]ncc3=O)CC2)C1=O ZINC001544284197 1015543517 /nfs/dbraw/zinc/54/35/17/1015543517.db2.gz XLQRRHAEPDEDFL-UHFFFAOYSA-N -1 0 305.294 -0.661 20 0 DBADRM Cc1cc(=O)n2nc(NC(=O)c3cccc(=O)n3C)[n-]c2n1 ZINC001544983505 1015551139 /nfs/dbraw/zinc/55/11/39/1015551139.db2.gz XBUFUXWRKWLRCY-UHFFFAOYSA-N -1 0 300.278 -0.323 20 0 DBADRM C[C@@H](N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ncccn1 ZINC001491655337 1015548051 /nfs/dbraw/zinc/54/80/51/1015548051.db2.gz VMDTZXXYVNBPDO-DTWKUNHWSA-N -1 0 321.341 -0.665 20 0 DBADRM CCOC(=O)[C@@H](N)C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC001596534880 1017156687 /nfs/dbraw/zinc/15/66/87/1017156687.db2.gz KZOCOCOQJUXJKS-QMMMGPOBSA-N -1 0 316.339 -0.226 20 0 DBADRM Cn1ccc(-c2cc(C(=O)[N-]N3CC(=O)N(C)C3=O)no2)n1 ZINC001545869249 1015552425 /nfs/dbraw/zinc/55/24/25/1015552425.db2.gz HLSZYWBJRKMNDZ-UHFFFAOYSA-N -1 0 304.266 -0.386 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NOCC(N)=O ZINC001546262024 1015555305 /nfs/dbraw/zinc/55/53/05/1015555305.db2.gz ZWBNPCIWEXNNSW-UHFFFAOYSA-N -1 0 301.324 -0.405 20 0 DBADRM Cn1nccc1[C@@H]1[C@H](N=c2nn[n-]n2C)CC(=O)N1C1CC1 ZINC001548390992 1015561535 /nfs/dbraw/zinc/56/15/35/1015561535.db2.gz WNEYMERMUMLIHO-SKDRFNHKSA-N -1 0 302.342 -0.718 20 0 DBADRM CCN(CC)C(=O)CN(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001377139822 990454545 /nfs/dbraw/zinc/45/45/45/990454545.db2.gz DGYIZPHVYCOHPP-UHFFFAOYSA-N -1 0 311.386 -0.046 20 0 DBADRM O=C(CC1(O)CCC1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001377530573 990641988 /nfs/dbraw/zinc/64/19/88/990641988.db2.gz LSCWXWWFAUOECO-UHFFFAOYSA-N -1 0 309.370 -0.104 20 0 DBADRM COCCN1C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])CC[C@H]21 ZINC001548509155 1015581214 /nfs/dbraw/zinc/58/12/14/1015581214.db2.gz UCCHILGBOIGEAM-NXEZZACHSA-N -1 0 323.353 -0.322 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CC12CC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001377867815 990764955 /nfs/dbraw/zinc/76/49/55/990764955.db2.gz LFFHLDYAOCULGQ-JGVFFNPUSA-N -1 0 309.326 -0.890 20 0 DBADRM Cc1nocc1CN1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001378015268 990826690 /nfs/dbraw/zinc/82/66/90/990826690.db2.gz NNAWIRPBEXSDGO-UHFFFAOYSA-N -1 0 322.325 -0.766 20 0 DBADRM COc1cnc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)nc1 ZINC001378092394 990852960 /nfs/dbraw/zinc/85/29/60/990852960.db2.gz IWVUHVJDRXVQDM-MRVPVSSYSA-N -1 0 321.341 -0.441 20 0 DBADRM COc1cncc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001378160978 990872181 /nfs/dbraw/zinc/87/21/81/990872181.db2.gz YIJIADOIRBOVBQ-MRVPVSSYSA-N -1 0 321.341 -0.441 20 0 DBADRM CCCn1cc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001378171622 990873376 /nfs/dbraw/zinc/87/33/76/990873376.db2.gz JAZQHSDARKEKFZ-SECBINFHSA-N -1 0 322.373 -0.238 20 0 DBADRM CCC(=O)NC[C@H]1CCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001378177904 990874866 /nfs/dbraw/zinc/87/48/66/990874866.db2.gz IAVSQYPORQOJFP-SECBINFHSA-N -1 0 303.322 -0.237 20 0 DBADRM CCN(C(=O)CCCC(N)=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378198613 990880365 /nfs/dbraw/zinc/88/03/65/990880365.db2.gz JWRYYXSXOPQVMS-JTQLQIEISA-N -1 0 324.385 -0.411 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)Cc2ccon2)c1[O-] ZINC001378285139 990915237 /nfs/dbraw/zinc/91/52/37/990915237.db2.gz KECSZJGAYIGTKE-SNVBAGLBSA-N -1 0 319.321 -0.015 20 0 DBADRM C[C@@]1(C(=O)NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)C=CCC1 ZINC001491757540 1015607220 /nfs/dbraw/zinc/60/72/20/1015607220.db2.gz FDJYTGIXALEOJY-CQSZACIVSA-N -1 0 321.337 -0.125 20 0 DBADRM CC[C@H](OC)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001378637803 991076084 /nfs/dbraw/zinc/07/60/84/991076084.db2.gz DDZVDABFEHIIAP-UWVGGRQHSA-N -1 0 313.358 -0.748 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001378682444 991109938 /nfs/dbraw/zinc/10/99/38/991109938.db2.gz DVYHZTIZPBCQEJ-DBIOUOCHSA-N -1 0 309.370 -0.271 20 0 DBADRM CCOC(=O)[C@H](C[C@@H]1CCCO1)N[C@H](C)C(=O)NCC(=O)[O-] ZINC001596527552 1017158034 /nfs/dbraw/zinc/15/80/34/1017158034.db2.gz JASSBRYJFQFARV-VWYCJHECSA-N -1 0 316.354 -0.334 20 0 DBADRM CCOC(=O)[C@@H](F)C1CN(C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001596535350 1017158151 /nfs/dbraw/zinc/15/81/51/1017158151.db2.gz ONPILJQTOYXZPL-NSHDSACASA-N -1 0 313.285 -0.059 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN[C@@H](C)c2ncccn2)c1[O-] ZINC001379184042 991393883 /nfs/dbraw/zinc/39/38/83/991393883.db2.gz CTIHGGYZHOKNMZ-VHSXEESVSA-N -1 0 320.353 -0.345 20 0 DBADRM Cc1nc(CNC[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)cs1 ZINC001379521414 991760011 /nfs/dbraw/zinc/76/00/11/991760011.db2.gz OKUTXOLTLWYBPE-LURJTMIESA-N -1 0 324.366 -0.044 20 0 DBADRM C[C@@H](CNCc1nccs1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001379589447 991809149 /nfs/dbraw/zinc/80/91/49/991809149.db2.gz VYCDCSLVKXSZHD-ZETCQYMHSA-N -1 0 312.355 -0.560 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)[C@@H](C)C(=O)N(C)C)c1[O-] ZINC001379646995 991833329 /nfs/dbraw/zinc/83/33/29/991833329.db2.gz RBLOWIWPJNPBGA-SCZZXKLOSA-N -1 0 311.386 -0.049 20 0 DBADRM Cc1ccnc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001379669689 991843841 /nfs/dbraw/zinc/84/38/41/991843841.db2.gz YIWWWIBSIWZSPL-VIFPVBQESA-N -1 0 305.342 -0.141 20 0 DBADRM COc1cnc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)nc1 ZINC001379701909 991855635 /nfs/dbraw/zinc/85/56/35/991855635.db2.gz LNLCIQRMNFBQTE-MRVPVSSYSA-N -1 0 321.341 -0.441 20 0 DBADRM COc1cnc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)nc1 ZINC001379701918 991855942 /nfs/dbraw/zinc/85/59/42/991855942.db2.gz LNLCIQRMNFBQTE-QMMMGPOBSA-N -1 0 321.341 -0.441 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001491906061 1015667096 /nfs/dbraw/zinc/66/70/96/1015667096.db2.gz CUSBXYBIXZUMNG-KOLCDFICSA-N -1 0 324.385 -0.542 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNCc2ccon2)c1[O-] ZINC001379776555 991904440 /nfs/dbraw/zinc/90/44/40/991904440.db2.gz ZESIHQRJNACZPB-SNVBAGLBSA-N -1 0 309.326 -0.366 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1ccc(=O)[nH]c1 ZINC001379788898 991913243 /nfs/dbraw/zinc/91/32/43/991913243.db2.gz OXFZSETVGWBOAX-MRVPVSSYSA-N -1 0 306.326 -0.139 20 0 DBADRM O=C(C1CC1)N1CCC[C@H]1C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001548761997 1015671264 /nfs/dbraw/zinc/67/12/64/1015671264.db2.gz KREXABDJXZSCGM-MNOVXSKESA-N -1 0 304.354 -0.083 20 0 DBADRM O=C(N1CC[C@@H](c2nnn[n-]2)C1)C1(N2CCOCC2)CCC1 ZINC001548762723 1015671446 /nfs/dbraw/zinc/67/14/46/1015671446.db2.gz DOLLSAXNRPEDSU-LLVKDONJSA-N -1 0 306.370 -0.230 20 0 DBADRM O=C(C1CC1)N1CCC[C@H]1C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001548761999 1015671698 /nfs/dbraw/zinc/67/16/98/1015671698.db2.gz KREXABDJXZSCGM-QWRGUYRKSA-N -1 0 304.354 -0.083 20 0 DBADRM COC[C@H](C)C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001379912505 992025140 /nfs/dbraw/zinc/02/51/40/992025140.db2.gz PTOADOYQEJJYSL-VHSXEESVSA-N -1 0 315.374 -0.956 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001379957966 992060553 /nfs/dbraw/zinc/06/05/53/992060553.db2.gz DDIFUBHZBSCJSU-OUAUKWLOSA-N -1 0 311.386 -0.193 20 0 DBADRM Cc1nc(CN2CC[C@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001380030975 992106546 /nfs/dbraw/zinc/10/65/46/992106546.db2.gz NROZBOUSXMPPDO-JTQLQIEISA-N -1 0 322.325 -0.624 20 0 DBADRM COC(=O)[C@H]1C[C@@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001380067248 992120190 /nfs/dbraw/zinc/12/01/90/992120190.db2.gz MKVXGNMWIATLFE-YUMQZZPRSA-N -1 0 309.326 -0.942 20 0 DBADRM Cn1ccc(CNC2(CNC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)n1 ZINC001380106741 992144718 /nfs/dbraw/zinc/14/47/18/992144718.db2.gz UNPNBDXRWBLLEV-UHFFFAOYSA-N -1 0 319.325 -0.932 20 0 DBADRM Cn1cc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)ccc1=O ZINC001380114612 992153489 /nfs/dbraw/zinc/15/34/89/992153489.db2.gz KMGODMXJSZBNOE-UHFFFAOYSA-N -1 0 318.337 -0.739 20 0 DBADRM CCOCC(=O)N(C)C1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001380206214 992195554 /nfs/dbraw/zinc/19/55/54/992195554.db2.gz DNCDUZBHJVNPGX-UHFFFAOYSA-N -1 0 319.365 -0.298 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@@H](C)NCc2nnn(C)n2)c1[O-] ZINC001492005753 1015691834 /nfs/dbraw/zinc/69/18/34/1015691834.db2.gz FWFQLTCIGXMGPZ-SSDOTTSWSA-N -1 0 308.346 -0.755 20 0 DBADRM CC[C@@H](C)C(=O)NCC1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001380321851 992249423 /nfs/dbraw/zinc/24/94/23/992249423.db2.gz HTVJBAJHKNDURW-AFPNSQJFSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CC1(F)F ZINC001380533855 992364970 /nfs/dbraw/zinc/36/49/70/992364970.db2.gz MTBGJXNFKRHUBF-RDDDGLTNSA-N -1 0 317.296 -0.782 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001549181111 1015710374 /nfs/dbraw/zinc/71/03/74/1015710374.db2.gz QAYYZLVTBHMTEU-FOGDFJRCSA-N -1 0 304.368 -0.394 20 0 DBADRM O=C(CCc1ccco1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380573510 992405162 /nfs/dbraw/zinc/40/51/62/992405162.db2.gz ZXIYASALBWYJRT-UHFFFAOYSA-N -1 0 321.337 -0.601 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(CCOC3CCC3)C2)c1[O-] ZINC001380589297 992420696 /nfs/dbraw/zinc/42/06/96/992420696.db2.gz XCDUTNBCRCQHBU-UHFFFAOYSA-N -1 0 324.381 -0.231 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C[C@H]1C(=O)N1CCOCC1 ZINC001549172328 1015708446 /nfs/dbraw/zinc/70/84/46/1015708446.db2.gz KIAATDLPGXPOSI-WISYIIOYSA-N -1 0 310.350 -0.340 20 0 DBADRM C[C@@H]1CN(C(=O)C2(C(=O)[O-])CC2)C[C@@H]1C(=O)N1CCOCC1 ZINC001549172404 1015709306 /nfs/dbraw/zinc/70/93/06/1015709306.db2.gz MDGKQAANADLJLI-MNOVXSKESA-N -1 0 310.350 -0.196 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)Cc2cc[nH]n2)c1[O-] ZINC001380660333 992467621 /nfs/dbraw/zinc/46/76/21/992467621.db2.gz VBYVGFVMIGTOGJ-MRVPVSSYSA-N -1 0 320.353 -0.034 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)NCc1nnc(C3CC3)[nH]1)C2 ZINC001549207516 1015710136 /nfs/dbraw/zinc/71/01/36/1015710136.db2.gz COJXEWSZLHHIOF-OTYXRUKQSA-N -1 0 321.337 -0.075 20 0 DBADRM C[C@H](CNC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C)C(=O)[O-] ZINC001549175004 1015711220 /nfs/dbraw/zinc/71/12/20/1015711220.db2.gz BZQYPPWEDPMHLO-PTRXPTGYSA-N -1 0 323.353 -0.288 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001549219972 1015712309 /nfs/dbraw/zinc/71/23/09/1015712309.db2.gz HFVIPADIWDBIRJ-CCUNJIBTSA-N -1 0 322.317 -0.043 20 0 DBADRM CNc1nc(C)cc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001549222101 1015712661 /nfs/dbraw/zinc/71/26/61/1015712661.db2.gz LYUAPLGPDGHKFK-XPTSAGLGSA-N -1 0 306.322 0.000 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549219696 1015712939 /nfs/dbraw/zinc/71/29/39/1015712939.db2.gz KZZITMVODNFVPY-WMFXKJRFSA-N -1 0 322.317 -0.043 20 0 DBADRM NC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)nc1 ZINC001549220245 1015713109 /nfs/dbraw/zinc/71/31/09/1015713109.db2.gz HQCFQWDUKULNMZ-OTYXRUKQSA-N -1 0 305.290 -0.646 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)c1ccc3nncn3c1)C2 ZINC001549225753 1015713290 /nfs/dbraw/zinc/71/32/90/1015713290.db2.gz UGVIQLVBJPEDAH-YGRLFVJLSA-N -1 0 302.290 -0.098 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N(C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001380843240 992558869 /nfs/dbraw/zinc/55/88/69/992558869.db2.gz ZDDNZHDUBPCIGI-IWSPIJDZSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(c1cc(N3CCOCC3)ncn1)C2 ZINC001549299121 1015718012 /nfs/dbraw/zinc/71/80/12/1015718012.db2.gz OFLQRDKGSQCTER-XHDPSFHLSA-N -1 0 320.349 -0.149 20 0 DBADRM Nc1c(-n2cccn2)ncnc1N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001549299459 1015718104 /nfs/dbraw/zinc/71/81/04/1015718104.db2.gz QBVSJMUOOFYCHL-LKFCYVNXSA-N -1 0 316.321 -0.218 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(c1nccc(N3CCOCC3)n1)C2 ZINC001549299433 1015718649 /nfs/dbraw/zinc/71/86/49/1015718649.db2.gz PGGGGHPTTKVVRM-NHYWBVRUSA-N -1 0 320.349 -0.149 20 0 DBADRM C[C@H](O)CNc1cc(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)ncn1 ZINC001549296967 1015719021 /nfs/dbraw/zinc/71/90/21/1015719021.db2.gz COQUUIKKKTTZAV-BHDSKKPTSA-N -1 0 308.338 -0.193 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(c1cncc(-n3cncn3)n1)C2 ZINC001549296649 1015719082 /nfs/dbraw/zinc/71/90/82/1015719082.db2.gz BPEXJMHUCPMIDH-RNCFNFMXSA-N -1 0 302.294 -0.405 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CCO)CN(C(=O)[C@@H]3C[C@H]3C)C2)c1[O-] ZINC001380969777 992615413 /nfs/dbraw/zinc/61/54/13/992615413.db2.gz PFDKQUOUHLJENW-PSASIEDQSA-N -1 0 322.365 -0.227 20 0 DBADRM CN(CCCN(C)C(=O)c1cccnn1)Cc1n[nH]c(=O)[n-]1 ZINC001380981448 992619381 /nfs/dbraw/zinc/61/93/81/992619381.db2.gz OARGKAUNCURJLH-UHFFFAOYSA-N -1 0 305.342 -0.106 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)c1cnn3ncccc13)C2 ZINC001549305966 1015721846 /nfs/dbraw/zinc/72/18/46/1015721846.db2.gz NAESCLGYOKGNOR-OTYXRUKQSA-N -1 0 302.290 -0.098 20 0 DBADRM Cc1cnc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC001381072306 992653841 /nfs/dbraw/zinc/65/38/41/992653841.db2.gz WXPCQCGCZBFZJP-UHFFFAOYSA-N -1 0 303.326 -0.433 20 0 DBADRM C[C@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)n1cncn1 ZINC001381079053 992655742 /nfs/dbraw/zinc/65/57/42/992655742.db2.gz NUODIIFANMOXCR-SECBINFHSA-N -1 0 306.330 -0.993 20 0 DBADRM CC(C)C(=O)N1CC([C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001381207629 992711200 /nfs/dbraw/zinc/71/12/00/992711200.db2.gz BPYPVOCWCLCPTQ-QMMMGPOBSA-N -1 0 311.342 -0.692 20 0 DBADRM O=C(N[C@@H]1C[C@H](N2CCOCC2)C12CCC2)c1n[nH]c(=O)[n-]1 ZINC001549514563 1015731036 /nfs/dbraw/zinc/73/10/36/1015731036.db2.gz GSOPFOYMMZGXBA-ZJUUUORDSA-N -1 0 307.354 -0.117 20 0 DBADRM CCNC(=O)CCC(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381505407 992818834 /nfs/dbraw/zinc/81/88/34/992818834.db2.gz WXVDYNNROZVXLV-SECBINFHSA-N -1 0 312.374 -0.637 20 0 DBADRM C[C@H](CNC(=O)CCc1nnc[nH]1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381502384 992819347 /nfs/dbraw/zinc/81/93/47/992819347.db2.gz DWCXLEXWJOVHPT-MRVPVSSYSA-N -1 0 308.346 -0.802 20 0 DBADRM C[C@H](CNC(=O)CO[C@H]1CCOC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381518725 992823768 /nfs/dbraw/zinc/82/37/68/992823768.db2.gz QEMBMIWMFIVCJI-ZJUUUORDSA-N -1 0 313.358 -0.748 20 0 DBADRM C[C@H](CNC(=O)CO[C@@H]1CCOC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381518714 992824274 /nfs/dbraw/zinc/82/42/74/992824274.db2.gz QEMBMIWMFIVCJI-NXEZZACHSA-N -1 0 313.358 -0.748 20 0 DBADRM Cc1cnc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001381535232 992829579 /nfs/dbraw/zinc/82/95/79/992829579.db2.gz BXDJIGWMAWVEPN-VIFPVBQESA-N -1 0 305.342 -0.141 20 0 DBADRM O=C(CC1CCC1)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381660954 992860381 /nfs/dbraw/zinc/86/03/81/992860381.db2.gz KRIOTEKOZNVPGP-UHFFFAOYSA-N -1 0 309.370 -0.247 20 0 DBADRM CCC(=O)N(C)[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001381671441 992863845 /nfs/dbraw/zinc/86/38/45/992863845.db2.gz LHIDTYAVSJTDNP-NSHDSACASA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(Cc2ccon2)C1 ZINC001381805944 992886616 /nfs/dbraw/zinc/88/66/16/992886616.db2.gz OXMCGWLCWKRGPK-QMMMGPOBSA-N -1 0 322.325 -0.686 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)c2cnnn2C)c1[O-] ZINC001381950249 992934777 /nfs/dbraw/zinc/93/47/77/992934777.db2.gz UFBRJGNOQWKBBS-SSDOTTSWSA-N -1 0 321.341 -0.557 20 0 DBADRM COCC(=O)NCCCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001492252649 1015751275 /nfs/dbraw/zinc/75/12/75/1015751275.db2.gz ICPFPRYBSCNJGT-UHFFFAOYSA-N -1 0 321.337 -0.753 20 0 DBADRM CCC(=O)N[C@H](C)CN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001382081276 992984374 /nfs/dbraw/zinc/98/43/74/992984374.db2.gz XCMPGUUVWQCEKH-SECBINFHSA-N -1 0 313.358 -0.157 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CCCF ZINC001382141534 993003165 /nfs/dbraw/zinc/00/31/65/993003165.db2.gz PNQFDGMOWPDEOZ-MRVPVSSYSA-N -1 0 317.321 -0.598 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001382144702 993005348 /nfs/dbraw/zinc/00/53/48/993005348.db2.gz ZCLYPQJXHCLSOM-IWSPIJDZSA-N -1 0 311.342 -0.692 20 0 DBADRM CC[C@@H](SC)C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001382194464 993039825 /nfs/dbraw/zinc/03/98/25/993039825.db2.gz BZAYQSQXNSBKTO-HTQZYQBOSA-N -1 0 303.388 -0.781 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H]1CCCC12CC2 ZINC001382217955 993064762 /nfs/dbraw/zinc/06/47/62/993064762.db2.gz SUGGMKJMXZLGNO-NXEZZACHSA-N -1 0 309.370 -0.343 20 0 DBADRM CCOC(=O)C[C@H](O)CN1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001596594784 1017163375 /nfs/dbraw/zinc/16/33/75/1017163375.db2.gz MNTNAGGFQQDRRB-ZANVPECISA-N -1 0 300.311 -0.394 20 0 DBADRM CCOC(=O)CC[C@@H](C)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001596602010 1017163184 /nfs/dbraw/zinc/16/31/84/1017163184.db2.gz PYGHKTQRSNBERV-SECBINFHSA-N -1 0 310.372 -0.041 20 0 DBADRM CCOC(=O)CCCNC(=O)CN1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001596604099 1017163304 /nfs/dbraw/zinc/16/33/04/1017163304.db2.gz XYVUVDDNERKYKY-MFKMUULPSA-N -1 0 316.354 -0.644 20 0 DBADRM Cn1nccc1[C@@H]1OCC[C@@H]1NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001549716609 1015761412 /nfs/dbraw/zinc/76/14/12/1015761412.db2.gz RPQNCASDRLZOEP-GXFFZTMASA-N -1 0 319.321 -0.039 20 0 DBADRM CCO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001382342036 993161960 /nfs/dbraw/zinc/16/19/60/993161960.db2.gz XPJLPTICHXQSBS-IUCAKERBSA-N -1 0 314.342 -0.944 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001596594350 1017163393 /nfs/dbraw/zinc/16/33/93/1017163393.db2.gz HVEVMSJWHAPXDT-TVQRCGJNSA-N -1 0 303.311 -0.559 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC001596595343 1017163395 /nfs/dbraw/zinc/16/33/95/1017163395.db2.gz SVGCKDFCIPZJMG-RKDXNWHRSA-N -1 0 305.352 -0.281 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)C2=COCCC2)c1[O-] ZINC001382390131 993197404 /nfs/dbraw/zinc/19/74/04/993197404.db2.gz JMDHYYHSECUTNR-SNVBAGLBSA-N -1 0 324.337 -0.675 20 0 DBADRM Cc1cn(C(C)(C)C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001492298778 1015768432 /nfs/dbraw/zinc/76/84/32/1015768432.db2.gz LBGNHCQKQMBADD-UHFFFAOYSA-N -1 0 321.385 -0.001 20 0 DBADRM Cc1nc(C(=O)N(C)C[C@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)c[nH]1 ZINC001382450307 993275156 /nfs/dbraw/zinc/27/51/56/993275156.db2.gz LMBOEKIOQJEQGI-SECBINFHSA-N -1 0 323.357 -0.893 20 0 DBADRM CC(=O)N[C@@H](CO)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001382451186 993276249 /nfs/dbraw/zinc/27/62/49/993276249.db2.gz MTPDZTRCXZWZTL-SSDOTTSWSA-N -1 0 313.276 -0.943 20 0 DBADRM CCN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@H](c2cncn2C)C1 ZINC001549895447 1015772768 /nfs/dbraw/zinc/77/27/68/1015772768.db2.gz WFHIVNXFLOFGEQ-ZJUUUORDSA-N -1 0 316.383 -0.283 20 0 DBADRM CN(CCNC(=O)CN1CCCCC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001492316952 1015776573 /nfs/dbraw/zinc/77/65/73/1015776573.db2.gz FIMWCSZOGCIQRB-UHFFFAOYSA-N -1 0 310.358 -0.929 20 0 DBADRM Cc1ncsc1CN(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001492323453 1015778439 /nfs/dbraw/zinc/77/84/39/1015778439.db2.gz DVOUETQSQGYCMS-UHFFFAOYSA-N -1 0 324.366 -0.090 20 0 DBADRM Cc1ncc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)cn1 ZINC001492323769 1015778874 /nfs/dbraw/zinc/77/88/74/1015778874.db2.gz KTSQZBRSXMCOTJ-UHFFFAOYSA-N -1 0 319.325 -0.757 20 0 DBADRM CC(=O)N[C@@H](C)[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001382697539 993402631 /nfs/dbraw/zinc/40/26/31/993402631.db2.gz ACIBACNPVZYDPT-JGVFFNPUSA-N -1 0 306.326 -0.900 20 0 DBADRM CCCC(=O)N[C@H]1C[C@H](C)N(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001382769457 993419368 /nfs/dbraw/zinc/41/93/68/993419368.db2.gz OEJRVBWIGIWZIU-YUMQZZPRSA-N -1 0 309.326 -0.198 20 0 DBADRM CCCC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001382769456 993420022 /nfs/dbraw/zinc/42/00/22/993420022.db2.gz OEJRVBWIGIWZIU-SFYZADRCSA-N -1 0 309.326 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN(C)C(=O)CC2CC2)c1[O-] ZINC001382902117 993441311 /nfs/dbraw/zinc/44/13/11/993441311.db2.gz UIQXKWHJRXJNKR-SNVBAGLBSA-N -1 0 310.354 -0.227 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN(C)C(=O)c2ccco2)c1[O-] ZINC001382902013 993441648 /nfs/dbraw/zinc/44/16/48/993441648.db2.gz RNWWTMHSROMDKK-SECBINFHSA-N -1 0 322.321 -0.120 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCCNC(=O)c2cn(C)nn2)c1[O-] ZINC001492341595 1015782736 /nfs/dbraw/zinc/78/27/36/1015782736.db2.gz SQETWCYDOONTCK-UHFFFAOYSA-N -1 0 321.341 -0.556 20 0 DBADRM CC(=O)N(C)[C@@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001383080826 993529932 /nfs/dbraw/zinc/52/99/32/993529932.db2.gz TZRBQEJZHLXPQO-QMMMGPOBSA-N -1 0 306.326 -0.946 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2C[C@H]2C)c1[O-] ZINC001383132348 993553714 /nfs/dbraw/zinc/55/37/14/993553714.db2.gz IGOHZERDTBJKGJ-DVVUODLYSA-N -1 0 324.381 -0.029 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001383378604 993636730 /nfs/dbraw/zinc/63/67/30/993636730.db2.gz YTVYTBUSTMAPNJ-XWLWVQCSSA-N -1 0 322.365 -0.107 20 0 DBADRM CC(=O)N[C@@H]1CCC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001383428071 993649373 /nfs/dbraw/zinc/64/93/73/993649373.db2.gz ZRYVWZYNUNQPTP-NXEZZACHSA-N -1 0 323.353 -0.221 20 0 DBADRM CC(=O)N[C@H]1CCC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001383428072 993650006 /nfs/dbraw/zinc/65/00/06/993650006.db2.gz ZRYVWZYNUNQPTP-UWVGGRQHSA-N -1 0 323.353 -0.221 20 0 DBADRM CC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001383636766 993692309 /nfs/dbraw/zinc/69/23/09/993692309.db2.gz ATHAZIQNHKZZTI-SSDOTTSWSA-N -1 0 311.342 -0.863 20 0 DBADRM COCCn1cc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cn1 ZINC001550347362 1015802442 /nfs/dbraw/zinc/80/24/42/1015802442.db2.gz YVQCXPULUXNGJI-FZMZJTMJSA-N -1 0 309.322 -0.297 20 0 DBADRM C[C@@H](CN(C)C(=O)CCCF)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001383787009 993747980 /nfs/dbraw/zinc/74/79/80/993747980.db2.gz ATGQDGGXKPXWCW-ZETCQYMHSA-N -1 0 315.305 -0.391 20 0 DBADRM C[C@H](CN(C)C(=O)Cc1nnc[nH]1)NC(=O)c1cnc[nH]c1=O ZINC001383845170 993764025 /nfs/dbraw/zinc/76/40/25/993764025.db2.gz FHIINKLMMJKORS-MRVPVSSYSA-N -1 0 319.325 -0.880 20 0 DBADRM CCCn1cc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001492476660 1015809666 /nfs/dbraw/zinc/80/96/66/1015809666.db2.gz ZVZPQMKVYYTDLF-UHFFFAOYSA-N -1 0 308.346 -0.626 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)CCC(F)F)c1[O-] ZINC001383907929 993828653 /nfs/dbraw/zinc/82/86/53/993828653.db2.gz IWXHOAGUUBMACK-ZETCQYMHSA-N -1 0 320.296 -0.324 20 0 DBADRM CCC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001383948850 993858468 /nfs/dbraw/zinc/85/84/68/993858468.db2.gz OLLDYXOLUYMIOY-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM CN(CCNC(=O)c1c2c(nn1C)CCC2)Cc1n[nH]c(=O)[n-]1 ZINC001492813220 1015813263 /nfs/dbraw/zinc/81/32/63/1015813263.db2.gz PQPNGXBTYLPERE-UHFFFAOYSA-N -1 0 319.369 -0.406 20 0 DBADRM CN(CCNC(=O)c1ccc2oc(=O)nc-2[n-]1)[C@@H]1CCNC1=O ZINC001492817972 1015815001 /nfs/dbraw/zinc/81/50/01/1015815001.db2.gz YBENGWQEAUTUIO-SECBINFHSA-N -1 0 319.321 -0.522 20 0 DBADRM O=C(CCCC1CC1)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001384022020 993921761 /nfs/dbraw/zinc/92/17/61/993921761.db2.gz NWRXSLRQENMKGG-VXGBXAGGSA-N -1 0 307.354 -0.314 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCCNC(=O)Cc2c[nH]cn2)c1[O-] ZINC001492865138 1015819445 /nfs/dbraw/zinc/81/94/45/1015819445.db2.gz ILSDPPHTHVFKLD-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM CC(C)C(=O)NC[C@@H]1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001384175632 993984190 /nfs/dbraw/zinc/98/41/90/993984190.db2.gz IQYSQPKYJZZVDH-BDAKNGLRSA-N -1 0 323.353 -0.047 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1C[C@H]1C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001492900161 1015823329 /nfs/dbraw/zinc/82/33/29/1015823329.db2.gz NAPJPIYRNTVZJI-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN(C)C(=O)[C@H]2CC23CC3)c1[O-] ZINC001384277107 994079635 /nfs/dbraw/zinc/07/96/35/994079635.db2.gz YJSZGMMAEQTYJU-NXEZZACHSA-N -1 0 322.365 -0.227 20 0 DBADRM CCN(CCNC(=O)c1cnn2c1CCC2)Cc1n[nH]c(=O)[n-]1 ZINC001492962661 1015832121 /nfs/dbraw/zinc/83/21/21/1015832121.db2.gz RWTRQADJTUHKOF-UHFFFAOYSA-N -1 0 319.369 -0.095 20 0 DBADRM C[C@H](Cc1c[nH]cn1)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400411879 994126429 /nfs/dbraw/zinc/12/64/29/994126429.db2.gz ONSUFKZDNSERPM-MRVPVSSYSA-N -1 0 305.342 -0.587 20 0 DBADRM CCC(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001384428433 994130149 /nfs/dbraw/zinc/13/01/49/994130149.db2.gz XCJYRPPKBRHEFR-DTORHVGOSA-N -1 0 318.337 -0.548 20 0 DBADRM COC[C@@H](C)[C@H](C)C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400464699 994163884 /nfs/dbraw/zinc/16/38/84/994163884.db2.gz JNAYHEVKFVHFMV-ZJUUUORDSA-N -1 0 311.386 -0.023 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3cnnn3C)CC2)c1[O-] ZINC001400559880 994229347 /nfs/dbraw/zinc/22/93/47/994229347.db2.gz FAULXHDNTDMXFK-UHFFFAOYSA-N -1 0 319.325 -0.755 20 0 DBADRM CCN(C)C(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-] ZINC001400574451 994240131 /nfs/dbraw/zinc/24/01/31/994240131.db2.gz KQBYVIPWELEPMW-QWRGUYRKSA-N -1 0 321.381 -0.199 20 0 DBADRM COC[C@H](OC)C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001493134849 1015854495 /nfs/dbraw/zinc/85/44/95/1015854495.db2.gz FZNFRMBVCFVGOB-ZJUUUORDSA-N -1 0 313.358 -0.748 20 0 DBADRM CC(C)C(=O)N1CC(N(C)C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001400750157 994332226 /nfs/dbraw/zinc/33/22/26/994332226.db2.gz CNFCEAAWPHVVON-UHFFFAOYSA-N -1 0 323.353 -0.459 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC001552209299 1015848745 /nfs/dbraw/zinc/84/87/45/1015848745.db2.gz VASIOLKSVZHLJV-HNNXBMFYSA-N -1 0 316.317 -0.173 20 0 DBADRM C[C@H](NC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1)c1ncnn1C ZINC001552401982 1015857464 /nfs/dbraw/zinc/85/74/64/1015857464.db2.gz ISMQRICRTMHHAX-RWEMILLDSA-N -1 0 309.326 -0.381 20 0 DBADRM C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552398871 1015857542 /nfs/dbraw/zinc/85/75/42/1015857542.db2.gz LLERTBUAGOIQFR-QSDJMHMYSA-N -1 0 311.338 -0.604 20 0 DBADRM Cc1c(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cnn1C ZINC001552401953 1015857633 /nfs/dbraw/zinc/85/76/33/1015857633.db2.gz INDDKXGADKXYSR-FZMZJTMJSA-N -1 0 308.338 -0.029 20 0 DBADRM C[C@H](NC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1)c1ncn(C)n1 ZINC001552402896 1015857643 /nfs/dbraw/zinc/85/76/43/1015857643.db2.gz LYLDYSUIBBRFIW-MWODSPESSA-N -1 0 309.326 -0.381 20 0 DBADRM Cn1cnc(CCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1 ZINC001552397841 1015857711 /nfs/dbraw/zinc/85/77/11/1015857711.db2.gz GQEAZBQUWRTDBI-HZMBPMFUSA-N -1 0 308.338 -0.295 20 0 DBADRM Cn1ccc(CCNC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC001552405555 1015857721 /nfs/dbraw/zinc/85/77/21/1015857721.db2.gz PUVGCHAMJBAHKV-IINYFYTJSA-N -1 0 308.338 -0.295 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)o1 ZINC001552397411 1015857735 /nfs/dbraw/zinc/85/77/35/1015857735.db2.gz CQVLGWZZCHXYML-CLAHSXSESA-N -1 0 323.305 -0.379 20 0 DBADRM CCc1nnc(CNC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)[nH]1 ZINC001552398050 1015857768 /nfs/dbraw/zinc/85/77/68/1015857768.db2.gz IAQORIPALJILFK-ISVAXAHUSA-N -1 0 309.326 -0.390 20 0 DBADRM C[C@H](NC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1)c1ncn(C)n1 ZINC001552402903 1015857854 /nfs/dbraw/zinc/85/78/54/1015857854.db2.gz LYLDYSUIBBRFIW-RWEMILLDSA-N -1 0 309.326 -0.381 20 0 DBADRM Cn1nccc1CCNC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552406036 1015857897 /nfs/dbraw/zinc/85/78/97/1015857897.db2.gz UJMTXDIXSZZPNH-YGRLFVJLSA-N -1 0 308.338 -0.295 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)N[C@@H]1CCn3ccnc3C1)C2 ZINC001552403145 1015857965 /nfs/dbraw/zinc/85/79/65/1015857965.db2.gz MBUUYQOYACHDOS-FIXISWKDSA-N -1 0 320.349 -0.060 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)N[C@@H]1CCc3ncnn3C1)C2 ZINC001552398210 1015858008 /nfs/dbraw/zinc/85/80/08/1015858008.db2.gz GPOJHHNDJBZOLD-IMSIIYSGSA-N -1 0 321.337 -0.665 20 0 DBADRM CCn1nc(C)c(CNC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC001552396840 1015858076 /nfs/dbraw/zinc/85/80/76/1015858076.db2.gz BUUWTNWNZQTMNY-IINYFYTJSA-N -1 0 323.353 -0.151 20 0 DBADRM CC(C)CC(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001385196494 994404446 /nfs/dbraw/zinc/40/44/46/994404446.db2.gz JNWAHLVRMWFDIP-SECBINFHSA-N -1 0 311.342 -0.548 20 0 DBADRM CCCC(=O)NC[C@]1(O)CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001401041511 994416465 /nfs/dbraw/zinc/41/64/65/994416465.db2.gz NHDMYLAZCWPNOM-CQSZACIVSA-N -1 0 310.354 -0.083 20 0 DBADRM C[C@@H](NC[C@H](O)COc1ccc(C(=O)[O-])cc1)c1nnnn1C ZINC001593246165 994447196 /nfs/dbraw/zinc/44/71/96/994447196.db2.gz IAWQLOQHZJMDMX-KOLCDFICSA-N -1 0 321.337 -0.001 20 0 DBADRM CCC(=O)N1CC[C@H](N(C)C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001385349281 994466159 /nfs/dbraw/zinc/46/61/59/994466159.db2.gz RDTPLHMVMYGYMN-VIFPVBQESA-N -1 0 323.353 -0.315 20 0 DBADRM CCn1nncc1CNC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001552654286 1015866636 /nfs/dbraw/zinc/86/66/36/1015866636.db2.gz DCWYTUKGLQGDSW-TVQRCGJNSA-N -1 0 309.326 -0.459 20 0 DBADRM CCN1CC[C@H](NC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)C1=O ZINC001552778739 1015867465 /nfs/dbraw/zinc/86/74/65/1015867465.db2.gz BUEXNUDNNASQCS-PKFCDNJMSA-N -1 0 311.338 -0.650 20 0 DBADRM COCC(=O)N(C)CCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001401347287 994528740 /nfs/dbraw/zinc/52/87/40/994528740.db2.gz BCWTYQBQXWAAHR-UHFFFAOYSA-N -1 0 307.354 -0.441 20 0 DBADRM Cc1ncn(C)c1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001401366476 994541485 /nfs/dbraw/zinc/54/14/85/994541485.db2.gz JSLQFGWZDMKJHL-UHFFFAOYSA-N -1 0 307.358 -0.244 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@@H](NC(=O)C2CC2)C1 ZINC001385592408 994555777 /nfs/dbraw/zinc/55/57/77/994555777.db2.gz AZGYRCKNMPVLMY-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1cc(CN(C)CCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)on1 ZINC001401425763 994566260 /nfs/dbraw/zinc/56/62/60/994566260.db2.gz FAODXIRUJOWWOQ-UHFFFAOYSA-N -1 0 324.341 -0.424 20 0 DBADRM O=C(CCCF)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001385938626 994691761 /nfs/dbraw/zinc/69/17/61/994691761.db2.gz LNWDOUXMJMTVLQ-LJGSYFOKSA-N -1 0 313.289 -0.591 20 0 DBADRM Cc1nc(CNC[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)cs1 ZINC001401636451 994722012 /nfs/dbraw/zinc/72/20/12/994722012.db2.gz OKUTXOLTLWYBPE-ZCFIWIBFSA-N -1 0 324.366 -0.044 20 0 DBADRM C[C@H](CNC(=O)C(F)F)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001386146161 994766630 /nfs/dbraw/zinc/76/66/30/994766630.db2.gz ZQXGOYZZMJBPBG-RXMQYKEDSA-N -1 0 319.268 -0.899 20 0 DBADRM C[C@@H](CNC(=O)c1cccs1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386147452 994766792 /nfs/dbraw/zinc/76/67/92/994766792.db2.gz SBITVNNKEQWFQZ-LURJTMIESA-N -1 0 323.334 -0.107 20 0 DBADRM CC(C)CCC(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001386162980 994778517 /nfs/dbraw/zinc/77/85/17/994778517.db2.gz WAOWZFCPPZHQSV-VIFPVBQESA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1cc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001401734787 994788228 /nfs/dbraw/zinc/78/82/28/994788228.db2.gz FULKIZSUPDCHFN-SECBINFHSA-N -1 0 307.358 -0.197 20 0 DBADRM COc1nccc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001401755980 994800895 /nfs/dbraw/zinc/80/08/95/994800895.db2.gz FQQFQTFJMIIHGP-MRVPVSSYSA-N -1 0 321.341 -0.441 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CC1OCCCO1 ZINC001401758985 994803523 /nfs/dbraw/zinc/80/35/23/994803523.db2.gz YQAJCRRNPGSFFB-VIFPVBQESA-N -1 0 313.358 -0.400 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CC1OCCCO1 ZINC001401758981 994803645 /nfs/dbraw/zinc/80/36/45/994803645.db2.gz YQAJCRRNPGSFFB-SECBINFHSA-N -1 0 313.358 -0.400 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2ncccn2)c1[O-] ZINC001386226472 994811937 /nfs/dbraw/zinc/81/19/37/994811937.db2.gz JLYFJZKPNRZCJL-ZETCQYMHSA-N -1 0 304.310 -0.238 20 0 DBADRM CO[C@H](C)C(=O)NC[C@@H]1CCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC001401859173 994832216 /nfs/dbraw/zinc/83/22/16/994832216.db2.gz CSFIOCJOXICMHO-PWSUYJOCSA-N -1 0 319.365 -0.252 20 0 DBADRM Cn1cc(CC(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC001401939437 994861376 /nfs/dbraw/zinc/86/13/76/994861376.db2.gz QIPFZRLERJTKMP-UHFFFAOYSA-N -1 0 305.342 -0.775 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@H]2CCC(=O)NC2)c1[O-] ZINC001386360167 994876675 /nfs/dbraw/zinc/87/66/75/994876675.db2.gz BKCWNRPEZZJDSW-APPZFPTMSA-N -1 0 323.353 -0.816 20 0 DBADRM C[C@@H](CNC(=O)C(C)(C)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386434359 994904969 /nfs/dbraw/zinc/90/49/69/994904969.db2.gz YDNSBPLYSCPFQK-ZETCQYMHSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@]1(NC(=O)Cc2cnoc2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402136738 994940431 /nfs/dbraw/zinc/94/04/31/994940431.db2.gz ITEICEMJSHANDE-ZDUSSCGKSA-N -1 0 306.326 -0.178 20 0 DBADRM CCN1C(=O)CO[C@@H](C(=O)[N-]OCCF)[C@@H]1c1nccn1C ZINC001553622873 1015904271 /nfs/dbraw/zinc/90/42/71/1015904271.db2.gz BMHSQTAPBBJFEK-GHMZBOCLSA-N -1 0 314.317 -0.274 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001386570921 994969533 /nfs/dbraw/zinc/96/95/33/994969533.db2.gz ODPHDZDEVVXMKW-BDAKNGLRSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CCNC(=O)C2=COCCO2)c1[O-] ZINC001386631232 994989431 /nfs/dbraw/zinc/98/94/31/994989431.db2.gz RSKIMOFOBBUUFJ-MRVPVSSYSA-N -1 0 324.337 -0.063 20 0 DBADRM CCC[C@@H](C)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386700570 995036478 /nfs/dbraw/zinc/03/64/78/995036478.db2.gz OHEJCZYKFNUZJF-SFYZADRCSA-N -1 0 311.342 -0.047 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc(F)c[nH]1 ZINC001402285701 995043184 /nfs/dbraw/zinc/04/31/84/995043184.db2.gz NGDCCXHBUOLVDJ-CYBMUJFWSA-N -1 0 324.316 -0.656 20 0 DBADRM O=C(Cn1ncn2nccc2c1=O)[N-]OCCC(F)(F)F ZINC001556270401 1015915616 /nfs/dbraw/zinc/91/56/16/1015915616.db2.gz RSAGSGNZIBUTEP-UHFFFAOYSA-N -1 0 305.216 -0.109 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](NCc2nnnn2C)C2CC2)c1[O-] ZINC001402305806 995061663 /nfs/dbraw/zinc/06/16/63/995061663.db2.gz KGTRKNGJLOYQHZ-SECBINFHSA-N -1 0 320.357 -0.755 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@H]1CCCNC1=O ZINC001556207603 1015914040 /nfs/dbraw/zinc/91/40/40/1015914040.db2.gz IQNPTWWDOBLGLA-JTQLQIEISA-N -1 0 302.294 -0.167 20 0 DBADRM CC(C)(CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001402335977 995087989 /nfs/dbraw/zinc/08/79/89/995087989.db2.gz HJQAFTJFQYIYQE-UHFFFAOYSA-N -1 0 323.397 -0.001 20 0 DBADRM CN(CCNC(=O)[C@H]1CC1(C)C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386868254 995142809 /nfs/dbraw/zinc/14/28/09/995142809.db2.gz VRRCHOXVZHJQME-SSDOTTSWSA-N -1 0 309.326 -0.483 20 0 DBADRM O=C(N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc[nH]c1 ZINC001402453539 995147127 /nfs/dbraw/zinc/14/71/27/995147127.db2.gz QPYBGQUKKGPMIZ-CQSZACIVSA-N -1 0 320.353 -0.405 20 0 DBADRM CCC(CC)(NC(=O)CN1C(=O)CN(C)C1=O)c1nnn[n-]1 ZINC001556495072 1015923501 /nfs/dbraw/zinc/92/35/01/1015923501.db2.gz RFBUCTVIMLSLPE-UHFFFAOYSA-N -1 0 309.330 -0.775 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C[C@H](C)C1CC1 ZINC001386983921 995201963 /nfs/dbraw/zinc/20/19/63/995201963.db2.gz QGZVFYFCWOTYFV-JGVFFNPUSA-N -1 0 323.353 -0.047 20 0 DBADRM CCC(C)(C)C(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387004780 995210574 /nfs/dbraw/zinc/21/05/74/995210574.db2.gz BHQXSUKMICDVRZ-MRVPVSSYSA-N -1 0 313.358 -0.254 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)c1cccn1C ZINC001387013312 995215304 /nfs/dbraw/zinc/21/53/04/995215304.db2.gz GNTFEDAIRGEBQB-UHFFFAOYSA-N -1 0 320.309 -0.877 20 0 DBADRM C[C@@H](CNC(=O)CCCF)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387029413 995220206 /nfs/dbraw/zinc/22/02/06/995220206.db2.gz ZWHQVYMKNBYDAR-ZETCQYMHSA-N -1 0 303.294 -0.940 20 0 DBADRM CN(CCNC(=O)C1CC2(CC2)C1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387095971 995253801 /nfs/dbraw/zinc/25/38/01/995253801.db2.gz HUMDTXIJLHNYKS-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM C[C@@H](CNC(=O)C1CC2(CC2)C1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387117272 995261622 /nfs/dbraw/zinc/26/16/22/995261622.db2.gz LLAFITNBXFRIGI-ZETCQYMHSA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCCCN1CCF ZINC001402739244 995265980 /nfs/dbraw/zinc/26/59/80/995265980.db2.gz UIKXEACLZNPAHB-VIFPVBQESA-N -1 0 301.322 -0.371 20 0 DBADRM CCN(CCNC(C)=O)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001387143294 995268035 /nfs/dbraw/zinc/26/80/35/995268035.db2.gz WXCVCBRCVYIBGU-UHFFFAOYSA-N -1 0 306.326 -0.944 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001556736422 1015933071 /nfs/dbraw/zinc/93/30/71/1015933071.db2.gz FEYOMZIRYLTETK-TUAOUCFPSA-N -1 0 310.354 -0.519 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cc(-n2ccnc2)ccc1O ZINC001556825285 1015934501 /nfs/dbraw/zinc/93/45/01/1015934501.db2.gz RLVTZYMQKUXBQP-UHFFFAOYSA-N -1 0 302.250 -0.036 20 0 DBADRM Cc1nonc1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001493452236 1015935590 /nfs/dbraw/zinc/93/55/90/1015935590.db2.gz TZXFKCMSYHJWNZ-UHFFFAOYSA-N -1 0 307.314 -0.404 20 0 DBADRM CCCCC(=O)NCC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387396094 995340583 /nfs/dbraw/zinc/34/05/83/995340583.db2.gz GPNQMKAOZMAZLJ-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM CCCN(CCNC(=O)[C@H]1C[C@@H]1C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387403311 995342912 /nfs/dbraw/zinc/34/29/12/995342912.db2.gz ZTJMZNPJZWOZBT-IUCAKERBSA-N -1 0 323.353 -0.093 20 0 DBADRM CC(C)C(=O)NCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001387504568 995367602 /nfs/dbraw/zinc/36/76/02/995367602.db2.gz RCMIXHMMDSJSHA-UHFFFAOYSA-N -1 0 309.326 -0.340 20 0 DBADRM CN(CCNC(=O)C(C)(C)F)C(=O)c1cnc([O-])n(C)c1=O ZINC001387596706 995388813 /nfs/dbraw/zinc/38/88/13/995388813.db2.gz FSOSPMXNKBLSCX-UHFFFAOYSA-N -1 0 314.317 -0.578 20 0 DBADRM CCCC(=O)NCCN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001387603068 995390655 /nfs/dbraw/zinc/39/06/55/995390655.db2.gz VTICAAZEHIGGMQ-UHFFFAOYSA-N -1 0 320.353 -0.554 20 0 DBADRM Cc1occc1C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387628945 995396456 /nfs/dbraw/zinc/39/64/56/995396456.db2.gz XPNJVJUPPBOCBR-UHFFFAOYSA-N -1 0 323.309 -0.521 20 0 DBADRM Cc1cc(CN[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001403095199 995405075 /nfs/dbraw/zinc/40/50/75/995405075.db2.gz LTYJDKKJIYYTOZ-ZETCQYMHSA-N -1 0 310.314 -0.720 20 0 DBADRM C[C@@H](CNC(=O)CCn1cncn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403097827 995405208 /nfs/dbraw/zinc/40/52/08/995405208.db2.gz HBILDUMSPOOMOW-VIFPVBQESA-N -1 0 308.346 -0.871 20 0 DBADRM Cc1nnc(CC(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)[nH]1 ZINC001403113139 995410790 /nfs/dbraw/zinc/41/07/90/995410790.db2.gz GOWGGMCPFORKEM-SSDOTTSWSA-N -1 0 308.346 -0.884 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@H]2CCNC(=O)C2)c1[O-] ZINC001387680129 995419122 /nfs/dbraw/zinc/41/91/22/995419122.db2.gz KWVOUPQCSATXOU-VIFPVBQESA-N -1 0 323.353 -0.862 20 0 DBADRM C[C@H](CNC(=O)[C@]1(C)CCNC(=O)C1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403133547 995419632 /nfs/dbraw/zinc/41/96/32/995419632.db2.gz FEJRVAKQAVKYAJ-YMTOWFKASA-N -1 0 324.385 -0.637 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001387680668 995420162 /nfs/dbraw/zinc/42/01/62/995420162.db2.gz DHGDTRVHBNKXLH-QMMMGPOBSA-N -1 0 311.342 -0.863 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)CCc2cn[nH]n2)c1[O-] ZINC001387682291 995421874 /nfs/dbraw/zinc/42/18/74/995421874.db2.gz ZILLQXDMGPHNNJ-UHFFFAOYSA-N -1 0 321.341 -0.637 20 0 DBADRM C[C@H](NC(=O)Cc1cc[nH]n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001403288243 995475124 /nfs/dbraw/zinc/47/51/24/995475124.db2.gz CJNIJXBACZKBOV-QMMMGPOBSA-N -1 0 305.342 -0.587 20 0 DBADRM C[C@@H](NC(=O)CCn1ccnc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001403338014 995489949 /nfs/dbraw/zinc/48/99/49/995489949.db2.gz XUKFHHRYUYQJSO-SNVBAGLBSA-N -1 0 319.369 -0.266 20 0 DBADRM C[C@H](CCNC(=O)[C@@H](C)n1cncn1)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001403363629 995497324 /nfs/dbraw/zinc/49/73/24/995497324.db2.gz SKBRWFGFRMJCID-RKDXNWHRSA-N -1 0 308.346 -0.653 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2coc(S(C)(=O)=O)c2)C(=O)N1C ZINC001557579497 1015952686 /nfs/dbraw/zinc/95/26/86/1015952686.db2.gz YOMGBAHKMUSNTO-LURJTMIESA-N -1 0 315.307 -0.390 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2cc3n(n2)CCC[C@@H]3O)C(=O)N1C ZINC001557579306 1015952964 /nfs/dbraw/zinc/95/29/64/1015952964.db2.gz XSQUWEPNPOJGJH-XVKPBYJWSA-N -1 0 307.310 -0.362 20 0 DBADRM Cn1cc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)n(C)c1=O ZINC001557721942 1015959223 /nfs/dbraw/zinc/95/92/23/1015959223.db2.gz DSEIUNNQGCNEOR-LLVKDONJSA-N -1 0 313.321 -0.244 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@H](CC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388030993 995583711 /nfs/dbraw/zinc/58/37/11/995583711.db2.gz HVNJMJZHNOBCNT-BDAKNGLRSA-N -1 0 313.358 -0.254 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C1C=CC=CC=C1 ZINC001403672085 995637372 /nfs/dbraw/zinc/63/73/72/995637372.db2.gz IGVFJPAYQSYJHY-NSHDSACASA-N -1 0 305.338 -0.625 20 0 DBADRM CC(=O)NCC(=O)NC[C@H]1CCCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001388340648 995659091 /nfs/dbraw/zinc/65/90/91/995659091.db2.gz ZGIOHIQAQQGHHV-SNVBAGLBSA-N -1 0 323.353 -0.719 20 0 DBADRM C[C@@H](CC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1)n1ccnc1 ZINC001403707205 995662536 /nfs/dbraw/zinc/66/25/36/995662536.db2.gz STHMZYVVIWBYIQ-JTQLQIEISA-N -1 0 307.358 -0.094 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)C1(C)CC1 ZINC001388454853 995694111 /nfs/dbraw/zinc/69/41/11/995694111.db2.gz HDZFUKJLPBHFEE-MRVPVSSYSA-N -1 0 311.342 -0.642 20 0 DBADRM O=C(c1cccn2c(=O)[nH]nc12)N1CC[C@H](c2nnn[n-]2)C1 ZINC001558077429 1015969734 /nfs/dbraw/zinc/96/97/34/1015969734.db2.gz BWKJGXIIVYNYFY-ZETCQYMHSA-N -1 0 300.282 -0.422 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NCCN(CC)Cc1n[nH]c(=O)[n-]1 ZINC001403870981 995745407 /nfs/dbraw/zinc/74/54/07/995745407.db2.gz PQHDUHYEIOTDLU-SECBINFHSA-N -1 0 312.374 -0.637 20 0 DBADRM CC(=O)N1CCN(CCN(C)C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001388792700 995762301 /nfs/dbraw/zinc/76/23/01/995762301.db2.gz IQKAITZOTFZJQO-UHFFFAOYSA-N -1 0 309.370 -0.340 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)c1ccc2n[nH]c(=O)n2c1 ZINC001558172992 1015973790 /nfs/dbraw/zinc/97/37/90/1015973790.db2.gz AIOVVUVPQYGZEW-UHFFFAOYSA-N -1 0 300.282 -0.243 20 0 DBADRM CCCC(=O)N[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001388973727 995789318 /nfs/dbraw/zinc/78/93/18/995789318.db2.gz GZDBNDHFKSMNBI-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001389013021 995800465 /nfs/dbraw/zinc/80/04/65/995800465.db2.gz IMKDBWPCYPLIOT-YUMQZZPRSA-N -1 0 309.326 -0.531 20 0 DBADRM CC(C)[C@H](F)C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001404030241 995805685 /nfs/dbraw/zinc/80/56/85/995805685.db2.gz UXVKHTRFOZXRRY-ONGXEEELSA-N -1 0 317.365 -0.245 20 0 DBADRM Cc1nonc1CC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001404029849 995806118 /nfs/dbraw/zinc/80/61/18/995806118.db2.gz YEHWKPALKCVOIC-VIFPVBQESA-N -1 0 321.341 -0.475 20 0 DBADRM O=C(CC1(O)CCC1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404077702 995814554 /nfs/dbraw/zinc/81/45/54/995814554.db2.gz XOTULINRJPEPLL-JTQLQIEISA-N -1 0 309.370 -0.247 20 0 DBADRM COCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001404149563 995827296 /nfs/dbraw/zinc/82/72/96/995827296.db2.gz YTDMXRGZNFOGMJ-RKDXNWHRSA-N -1 0 321.337 -0.708 20 0 DBADRM O=C(CCc1c[nH]cn1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001404243211 995840057 /nfs/dbraw/zinc/84/00/57/995840057.db2.gz PFOZUGLINILCSC-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM CC[C@H](C)C(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001404287961 995845864 /nfs/dbraw/zinc/84/58/64/995845864.db2.gz MTSJZGNUNKMWHM-YUMQZZPRSA-N -1 0 311.342 -0.094 20 0 DBADRM CCCCC(=O)N[C@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001389138314 995869405 /nfs/dbraw/zinc/86/94/05/995869405.db2.gz IBDXHVMTLUHFRH-SECBINFHSA-N -1 0 310.354 -0.089 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2ccnnc2)c1[O-] ZINC001389170133 995882291 /nfs/dbraw/zinc/88/22/91/995882291.db2.gz PAULTTVYQHOWOX-SSDOTTSWSA-N -1 0 304.310 -0.238 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)CCn2ccnc2)c1[O-] ZINC001389238641 995906054 /nfs/dbraw/zinc/90/60/54/995906054.db2.gz HKCOWMHLNHBCNM-SECBINFHSA-N -1 0 320.353 -0.055 20 0 DBADRM CCC1(C(=O)NC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001389238634 995906198 /nfs/dbraw/zinc/90/61/98/995906198.db2.gz AAQICAUMKBXCMX-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C(C)(F)F ZINC001389284060 995920759 /nfs/dbraw/zinc/92/07/59/995920759.db2.gz DEWMNWWIRCZDBY-LURJTMIESA-N -1 0 318.280 -0.624 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001389385711 995961658 /nfs/dbraw/zinc/96/16/58/995961658.db2.gz GZVIOLFFQHQZIH-WDEREUQCSA-N -1 0 324.385 -0.494 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC1(C)CC1 ZINC001389435608 995982342 /nfs/dbraw/zinc/98/23/42/995982342.db2.gz RPQOIGUZEIDFIK-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM C[C@@H](CNC(=O)CCC1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001389439567 995983188 /nfs/dbraw/zinc/98/31/88/995983188.db2.gz ZZESVXQBIBZAMJ-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CCCF ZINC001389457037 995993799 /nfs/dbraw/zinc/99/37/99/995993799.db2.gz MBMVYKAAYSOSHB-LURJTMIESA-N -1 0 301.278 -0.733 20 0 DBADRM Cc1cnn(CCC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001389508876 996018031 /nfs/dbraw/zinc/01/80/31/996018031.db2.gz OXVGWRCXEIKUNJ-NSHDSACASA-N -1 0 319.369 -0.204 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001389640527 996055145 /nfs/dbraw/zinc/05/51/45/996055145.db2.gz XHYKCZBAMUCHPW-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM CC1(C(=O)NCC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CCC1 ZINC001389862729 996122213 /nfs/dbraw/zinc/12/22/13/996122213.db2.gz HVEJBAPZPGIJTB-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM CCC(=O)N(C)C1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001390052211 996173642 /nfs/dbraw/zinc/17/36/42/996173642.db2.gz XZIZVNKSCXEUCN-UHFFFAOYSA-N -1 0 311.342 -0.451 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cn(C)nc1C ZINC001596884301 1017174995 /nfs/dbraw/zinc/17/49/95/1017174995.db2.gz HLKURKWTGFAHLA-VIFPVBQESA-N -1 0 305.356 -0.161 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001596873178 1017175136 /nfs/dbraw/zinc/17/51/36/1017175136.db2.gz VSOJNYVUDRGSHA-CABZTGNLSA-N -1 0 322.383 -0.594 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001596872806 1017175150 /nfs/dbraw/zinc/17/51/50/1017175150.db2.gz PYGKWELMMPYXRS-UWVGGRQHSA-N -1 0 305.352 -0.117 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)CC(=O)NCC(=O)OC(C)(C)C ZINC001596877446 1017175231 /nfs/dbraw/zinc/17/52/31/1017175231.db2.gz NIROCPRLYQLSIU-JTQLQIEISA-N -1 0 318.370 -0.134 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1cc(C)no1 ZINC001390941275 996413637 /nfs/dbraw/zinc/41/36/37/996413637.db2.gz CHLPZUVIULIJAV-UHFFFAOYSA-N -1 0 322.325 -0.169 20 0 DBADRM CCO[C@H](C)C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[nH]1 ZINC001391031973 996424258 /nfs/dbraw/zinc/42/42/58/996424258.db2.gz UQOQXQFNDIEYCG-GHMZBOCLSA-N -1 0 311.386 -0.386 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C2(CS(C)(=O)=O)COC2)C1 ZINC001593765870 996443781 /nfs/dbraw/zinc/44/37/81/996443781.db2.gz ZFZSROBTUGLIIG-LBPRGKRZSA-N -1 0 319.379 -0.239 20 0 DBADRM Cn1nncc1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001391156895 996470626 /nfs/dbraw/zinc/47/06/26/996470626.db2.gz PEGUSTLCWXTTAB-UHFFFAOYSA-N -1 0 306.330 -0.967 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001391161345 996473663 /nfs/dbraw/zinc/47/36/63/996473663.db2.gz ZVAKRNFPSYRAJT-SECBINFHSA-N -1 0 323.353 -0.456 20 0 DBADRM CC(C)C(=O)NC[C@@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001391174817 996478210 /nfs/dbraw/zinc/47/82/10/996478210.db2.gz BWLBKOBNMFVAOI-SECBINFHSA-N -1 0 310.354 -0.376 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)c1ccncn1 ZINC001391192482 996484072 /nfs/dbraw/zinc/48/40/72/996484072.db2.gz XTFLWBFJRJHKMH-UHFFFAOYSA-N -1 0 303.326 -0.305 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001596873259 1017175591 /nfs/dbraw/zinc/17/55/91/1017175591.db2.gz YRLITNFUBDTHLA-NXEZZACHSA-N -1 0 311.342 -0.426 20 0 DBADRM O=C(COCc1ccncc1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391455715 996546525 /nfs/dbraw/zinc/54/65/25/996546525.db2.gz XGIVYVVNUUKCOI-UHFFFAOYSA-N -1 0 318.337 -0.578 20 0 DBADRM CC(C)[C@H](CNC(=O)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001391520621 996563425 /nfs/dbraw/zinc/56/34/25/996563425.db2.gz KQUDSKLGMTXKMY-QMMMGPOBSA-N -1 0 309.326 -0.437 20 0 DBADRM C[C@@]1(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)CCCOC1 ZINC001391519251 996564431 /nfs/dbraw/zinc/56/44/31/996564431.db2.gz UJGGRURABGLCGW-CQSZACIVSA-N -1 0 309.370 -0.125 20 0 DBADRM CC(=O)NC[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(C)C ZINC001391523528 996565353 /nfs/dbraw/zinc/56/53/53/996565353.db2.gz PEXJGVBCCFXCEN-SNVBAGLBSA-N -1 0 313.358 -0.254 20 0 DBADRM CC1(C)C[C@H](NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C(=O)O1 ZINC001593856714 996642800 /nfs/dbraw/zinc/64/28/00/996642800.db2.gz IGFDSTBPJFPTNX-BDAKNGLRSA-N -1 0 312.322 -0.480 20 0 DBADRM O=C(CCCF)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001391984397 996674083 /nfs/dbraw/zinc/67/40/83/996674083.db2.gz CNSKVUPKZGJULI-VIFPVBQESA-N -1 0 301.322 -0.423 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC001596872103 1017176040 /nfs/dbraw/zinc/17/60/40/1017176040.db2.gz CTUUGORIPOVAOW-SECBINFHSA-N -1 0 313.358 -0.081 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@H]2CCCC(=O)N2)c1[O-] ZINC001392284807 996776650 /nfs/dbraw/zinc/77/66/50/996776650.db2.gz VWDUYFSZTPJINP-VXNVDRBHSA-N -1 0 323.353 -0.673 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1CCNC(=O)CC1)Cc1n[nH]c(=O)[n-]1 ZINC001392291535 996778545 /nfs/dbraw/zinc/77/85/45/996778545.db2.gz NGMHVMFIBUXPFB-SNVBAGLBSA-N -1 0 324.385 -0.683 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001596872807 1017176449 /nfs/dbraw/zinc/17/64/49/1017176449.db2.gz PYGKWELMMPYXRS-VHSXEESVSA-N -1 0 305.352 -0.117 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC12CC2)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001404524447 996806820 /nfs/dbraw/zinc/80/68/20/996806820.db2.gz YOVPEIKTEXLNBZ-HTQZYQBOSA-N -1 0 321.337 -0.340 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001599075181 996847117 /nfs/dbraw/zinc/84/71/17/996847117.db2.gz SWIJQMLAXBQXKU-HNNXBMFYSA-N -1 0 323.349 -0.161 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001599075298 996849354 /nfs/dbraw/zinc/84/93/54/996849354.db2.gz DTMSBRQHVRWGOG-GFCCVEGCSA-N -1 0 317.319 -0.001 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001599075300 996850014 /nfs/dbraw/zinc/85/00/14/996850014.db2.gz DTMSBRQHVRWGOG-LBPRGKRZSA-N -1 0 317.319 -0.001 20 0 DBADRM CC1(C)CN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1(C)C ZINC001593924592 996852839 /nfs/dbraw/zinc/85/28/39/996852839.db2.gz PKZAGEMCKUIAOQ-NXEZZACHSA-N -1 0 312.366 -0.073 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccccc2OCC(N)=O)C1 ZINC001599075549 996854082 /nfs/dbraw/zinc/85/40/82/996854082.db2.gz MHAFMDGXOKXOSD-OAHLLOKOSA-N -1 0 322.317 -0.134 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cccnc2OCCO)C1 ZINC001599075913 996863500 /nfs/dbraw/zinc/86/35/00/996863500.db2.gz WNJLAHOPMPTTMG-AWEZNQCLSA-N -1 0 310.306 -0.232 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cnn(C)c2-n2cnnc2)C1 ZINC001599075944 996864904 /nfs/dbraw/zinc/86/49/04/996864904.db2.gz XOJSUATUHQTZNP-ZDUSSCGKSA-N -1 0 320.309 -0.684 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001404812112 996873479 /nfs/dbraw/zinc/87/34/79/996873479.db2.gz QCDZOEBPZGXQGJ-AATLWQCWSA-N -1 0 323.353 -0.644 20 0 DBADRM CC1(C)CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC[C@@H]1O ZINC001593928934 996883343 /nfs/dbraw/zinc/88/33/43/996883343.db2.gz YOAASCSAZAGJIA-MNOVXSKESA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H](OCC1CC1)C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404876126 996890679 /nfs/dbraw/zinc/89/06/79/996890679.db2.gz NQMKOWWIQSAXTK-VIFPVBQESA-N -1 0 309.370 -0.127 20 0 DBADRM C[C@H](CC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)n1ccnc1 ZINC001404895749 996896829 /nfs/dbraw/zinc/89/68/29/996896829.db2.gz XWWLRYBIZXAYKB-SNVBAGLBSA-N -1 0 319.369 -0.094 20 0 DBADRM CC(C)[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC1 ZINC001404901334 996898770 /nfs/dbraw/zinc/89/87/70/996898770.db2.gz BFDCHLNFCSAZJK-SECBINFHSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C(Cc1cscn1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404913782 996904366 /nfs/dbraw/zinc/90/43/66/996904366.db2.gz ZBXUUZNDNFPLNR-UHFFFAOYSA-N -1 0 308.367 -0.243 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCOC(C)(C)C1 ZINC001596884367 1017176827 /nfs/dbraw/zinc/17/68/27/1017176827.db2.gz IMKYQFCVNUOUKZ-JTQLQIEISA-N -1 0 324.399 -0.237 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001596887070 1017176848 /nfs/dbraw/zinc/17/68/48/1017176848.db2.gz WAYKVQPTOQKBBU-VIFPVBQESA-N -1 0 323.367 -0.167 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001392508268 996988637 /nfs/dbraw/zinc/98/86/37/996988637.db2.gz CHFVIUKVUGTKSL-SFYZADRCSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001392520765 996995544 /nfs/dbraw/zinc/99/55/44/996995544.db2.gz UMVKSAUQOGCMIW-VHSXEESVSA-N -1 0 321.385 -0.283 20 0 DBADRM CC1(C)CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CCN1 ZINC001593946418 996995664 /nfs/dbraw/zinc/99/56/64/996995664.db2.gz DYCYQPRAJFGQDN-UHFFFAOYSA-N -1 0 302.356 -0.660 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001405093981 996997306 /nfs/dbraw/zinc/99/73/06/996997306.db2.gz AGNODZANYPXGJQ-DJLDLDEBSA-N -1 0 323.353 -0.094 20 0 DBADRM CCC(=O)N[C@@H](C)CN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001405119209 997010858 /nfs/dbraw/zinc/01/08/58/997010858.db2.gz BEHUHNDQKPKVHG-VIFPVBQESA-N -1 0 320.353 -0.556 20 0 DBADRM COCCC(=O)N[C@@H](C)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001392633310 997096594 /nfs/dbraw/zinc/09/65/94/997096594.db2.gz IHJQYFVGRUKXEU-VIFPVBQESA-N -1 0 321.337 -0.706 20 0 DBADRM CC1(C)NC(=O)N(CCC(=O)OCC(=O)CCC(=O)[O-])C1=O ZINC001593969060 997128099 /nfs/dbraw/zinc/12/80/99/997128099.db2.gz VTPWGDYZTAHKQG-UHFFFAOYSA-N -1 0 314.294 -0.316 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cnc(C(=O)OC)cn1 ZINC001599192278 997143663 /nfs/dbraw/zinc/14/36/63/997143663.db2.gz HPFPSDSYNUKBGD-CQSZACIVSA-N -1 0 323.305 -0.031 20 0 DBADRM C[C@@H](CN(C)Cc1ccnn1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001392695632 997147406 /nfs/dbraw/zinc/14/74/06/997147406.db2.gz VGJCJBBYSQAJKX-QMMMGPOBSA-N -1 0 321.341 -0.733 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001392701481 997153745 /nfs/dbraw/zinc/15/37/45/997153745.db2.gz KFXDQSJRFYIMKG-RKDXNWHRSA-N -1 0 310.358 -0.885 20 0 DBADRM COC[C@@]1(C(=O)OC)CCCN1CCC(=O)N(C)CC(=O)[O-] ZINC001599193984 997180608 /nfs/dbraw/zinc/18/06/08/997180608.db2.gz GJBNEBNNOIZBAI-CQSZACIVSA-N -1 0 316.354 -0.427 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001392749062 997182961 /nfs/dbraw/zinc/18/29/61/997182961.db2.gz WTPMSBLAENRDMC-WYOJIJJFSA-N -1 0 323.353 -0.644 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1noc(C)n1 ZINC001599194866 997196212 /nfs/dbraw/zinc/19/62/12/997196212.db2.gz LLMSZTUBUZKDMQ-NSHDSACASA-N -1 0 319.339 -0.227 20 0 DBADRM C[C@]1(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)CCC(=O)NC1 ZINC001392857163 997271783 /nfs/dbraw/zinc/27/17/83/997271783.db2.gz KRYDXJMWGRUGQJ-OTYXRUKQSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001392879587 997295815 /nfs/dbraw/zinc/29/58/15/997295815.db2.gz CONQORQBDNJXJY-MWLCHTKSSA-N -1 0 319.369 -0.262 20 0 DBADRM CCOCCCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001596907409 1017178621 /nfs/dbraw/zinc/17/86/21/1017178621.db2.gz HFFWXQALCOKQIJ-MNOVXSKESA-N -1 0 316.354 -0.787 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CCCF ZINC001393008872 997360357 /nfs/dbraw/zinc/36/03/57/997360357.db2.gz UKZWFKRQIWRKKH-ZETCQYMHSA-N -1 0 303.294 -0.940 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2ccnnc2)c1[O-] ZINC001393113164 997426087 /nfs/dbraw/zinc/42/60/87/997426087.db2.gz PEHGYNKVZKWPKF-ZETCQYMHSA-N -1 0 304.310 -0.238 20 0 DBADRM CC(=O)N[C@@H](C)C[C@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001405883152 997458439 /nfs/dbraw/zinc/45/84/39/997458439.db2.gz BZVGMOJJKFTMII-YUMQZZPRSA-N -1 0 311.342 -0.365 20 0 DBADRM CC(=O)N[C@@H](C)C[C@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001405922889 997466191 /nfs/dbraw/zinc/46/61/91/997466191.db2.gz YAFYRRYTBJABHQ-IUCAKERBSA-N -1 0 313.358 -0.111 20 0 DBADRM CC[C@H](C)CC(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393250033 997493187 /nfs/dbraw/zinc/49/31/87/997493187.db2.gz WMCFTTGUGRVRDU-IINYFYTJSA-N -1 0 311.386 -0.001 20 0 DBADRM CCN(C(=O)c1cn[nH]n1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001406057681 997501544 /nfs/dbraw/zinc/50/15/44/997501544.db2.gz HJJOMUFGFYJPII-SSDOTTSWSA-N -1 0 321.341 -0.178 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001406100647 997517881 /nfs/dbraw/zinc/51/78/81/997517881.db2.gz PJHWRTFCXAZBHQ-SECBINFHSA-N -1 0 312.374 -0.685 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC12CC2 ZINC001393269443 997518659 /nfs/dbraw/zinc/51/86/59/997518659.db2.gz FRAHYGSYZNZMRC-XPTSAGLGSA-N -1 0 307.354 -0.637 20 0 DBADRM Cc1nonc1CC(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001406151318 997539518 /nfs/dbraw/zinc/53/95/18/997539518.db2.gz FJBKFTJEENFXID-UHFFFAOYSA-N -1 0 309.330 -0.665 20 0 DBADRM O=C(CCC1CCC1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393310203 997568382 /nfs/dbraw/zinc/56/83/82/997568382.db2.gz RDAIRGXCGKOJKL-UHFFFAOYSA-N -1 0 309.370 -0.247 20 0 DBADRM CC[C@H](F)C(=O)N1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001393408864 997641440 /nfs/dbraw/zinc/64/14/40/997641440.db2.gz MQECXCATLGUTLR-SFYZADRCSA-N -1 0 315.305 -0.846 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)Cc2nc[nH]n2)c1[O-] ZINC001393482762 997693314 /nfs/dbraw/zinc/69/33/14/997693314.db2.gz TWUMYMBSSAVEJJ-MRVPVSSYSA-N -1 0 319.325 -0.885 20 0 DBADRM CO[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](C(=O)[O-])C1 ZINC001599123645 997790672 /nfs/dbraw/zinc/79/06/72/997790672.db2.gz UOSUCQTYFGZQTC-CBAPKCEASA-N -1 0 311.294 -0.810 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001393761136 997833995 /nfs/dbraw/zinc/83/39/95/997833995.db2.gz FTZYHSQGAJBRIY-QMMMGPOBSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001393836424 997861561 /nfs/dbraw/zinc/86/15/61/997861561.db2.gz TVJDMEXDIAUWMW-VHSXEESVSA-N -1 0 309.370 -0.391 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C ZINC001406749996 997865875 /nfs/dbraw/zinc/86/58/75/997865875.db2.gz BWKXXBVVWYFTAK-SCZZXKLOSA-N -1 0 323.353 -0.721 20 0 DBADRM O=C(CO[C@H]1CCOC1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001406831029 997890624 /nfs/dbraw/zinc/89/06/24/997890624.db2.gz PJVHQUXUTUVVQA-UWVGGRQHSA-N -1 0 311.342 -0.994 20 0 DBADRM Cc1c(CC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001406858343 997904771 /nfs/dbraw/zinc/90/47/71/997904771.db2.gz MRWGVVFWCYKRDZ-NSHDSACASA-N -1 0 319.369 -0.515 20 0 DBADRM CCn1cc(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)nn1 ZINC001393977925 997913558 /nfs/dbraw/zinc/91/35/58/997913558.db2.gz DADWAHVQUTURRC-IUCAKERBSA-N -1 0 322.373 -0.984 20 0 DBADRM COCCN(CCF)C(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001599236443 997955219 /nfs/dbraw/zinc/95/52/19/997955219.db2.gz HQRCLKDBTQHZSK-CYBMUJFWSA-N -1 0 320.317 -0.867 20 0 DBADRM C[C@H](CNC(=O)CCc1c[nH]cn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001394076895 997966778 /nfs/dbraw/zinc/96/67/78/997966778.db2.gz HLXHFLLTHIPAAF-SECBINFHSA-N -1 0 307.358 -0.197 20 0 DBADRM COC[C@@H](OC)C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001394106285 997983312 /nfs/dbraw/zinc/98/33/12/997983312.db2.gz BKWDBXBWJTWAQY-DTWKUNHWSA-N -1 0 301.347 -0.892 20 0 DBADRM CC[C@H](F)CN1CC([C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001394260496 998066216 /nfs/dbraw/zinc/06/62/16/998066216.db2.gz TUBWTFHUTVBMQK-WPRPVWTQSA-N -1 0 315.349 -0.126 20 0 DBADRM C[C@@]1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(C(=O)CC2CC2)C1 ZINC001394305291 998086290 /nfs/dbraw/zinc/08/62/90/998086290.db2.gz DQONOENPGFQZNE-CQSZACIVSA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NCc2nnn(C)n2)c1[O-] ZINC001394463575 998151060 /nfs/dbraw/zinc/15/10/60/998151060.db2.gz CVNVVBNZFZQLQA-SSDOTTSWSA-N -1 0 308.346 -0.802 20 0 DBADRM CC[C@@H](CN1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1)OC ZINC001407403263 998173531 /nfs/dbraw/zinc/17/35/31/998173531.db2.gz CXUWJDJQMMRIRM-JTQLQIEISA-N -1 0 312.370 -0.375 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2cscn2)c1[O-] ZINC001394582909 998238199 /nfs/dbraw/zinc/23/81/99/998238199.db2.gz KMWFMQMYGIFIPH-MRVPVSSYSA-N -1 0 311.367 -0.239 20 0 DBADRM Cc1cc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)ns1 ZINC001394586031 998247090 /nfs/dbraw/zinc/24/70/90/998247090.db2.gz LLXWBMRXDBDGBP-SSDOTTSWSA-N -1 0 312.355 -0.844 20 0 DBADRM CCOCCn1cc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001596945367 1017181823 /nfs/dbraw/zinc/18/18/23/1017181823.db2.gz ZJNGIVNLXSCLCF-CMPLNLGQSA-N -1 0 311.338 -0.173 20 0 DBADRM Cc1cncc(CC(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001394609909 998281073 /nfs/dbraw/zinc/28/10/73/998281073.db2.gz SRGSXILPUGREQK-LLVKDONJSA-N -1 0 320.353 -0.977 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NCc1nnc(S(C)(=O)=O)s1 ZINC001599150406 998286679 /nfs/dbraw/zinc/28/66/79/998286679.db2.gz KGKACUUXSFKKPK-SNVBAGLBSA-N -1 0 323.396 -0.089 20 0 DBADRM C[C@H](CC(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)n1cccc1 ZINC001394640346 998329531 /nfs/dbraw/zinc/32/95/31/998329531.db2.gz BRGKGHXFVHSOIP-MNOVXSKESA-N -1 0 322.369 -0.470 20 0 DBADRM Cn1[nH]c(CNC2(CNC(=O)C3CCOCC3)CCC2)nc1=O ZINC001407752021 998351209 /nfs/dbraw/zinc/35/12/09/998351209.db2.gz RPJYRFSFBKOPPJ-UHFFFAOYSA-N -1 0 323.397 -0.337 20 0 DBADRM CC[C@H](C)C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001407815902 998382550 /nfs/dbraw/zinc/38/25/50/998382550.db2.gz XVDKXZTVWLTURA-CIUDSAMLSA-N -1 0 311.342 -0.501 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001407879429 998413928 /nfs/dbraw/zinc/41/39/28/998413928.db2.gz MEMHFCGUQNPUCX-SECBINFHSA-N -1 0 312.374 -0.685 20 0 DBADRM CN(CCCN(C)C(=O)c1cnn(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001407885686 998416214 /nfs/dbraw/zinc/41/62/14/998416214.db2.gz YWZBEVSIOSYDHL-UHFFFAOYSA-N -1 0 307.358 -0.162 20 0 DBADRM CC(C)[C@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001407908153 998423157 /nfs/dbraw/zinc/42/31/57/998423157.db2.gz ISNDYBPUFKVFSX-XHNCKOQMSA-N -1 0 323.353 -0.048 20 0 DBADRM O=C([C@@H]1CC12CC2)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001408036788 998465140 /nfs/dbraw/zinc/46/51/40/998465140.db2.gz QKSMMRNTKMBAIN-ZUZCIYMTSA-N -1 0 321.381 -0.247 20 0 DBADRM Cc1cc[nH]c1C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001394776612 998484644 /nfs/dbraw/zinc/48/46/44/998484644.db2.gz PFNOPAZHYRETKD-JTQLQIEISA-N -1 0 322.369 -0.288 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CC1(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001408133711 998515027 /nfs/dbraw/zinc/51/50/27/998515027.db2.gz MIXQHWIUAMSSOF-CRCLSJGQSA-N -1 0 317.252 -0.828 20 0 DBADRM C[C@@H](CNC(=O)CCCn1cccn1)NC(=O)c1cn[nH]n1 ZINC001408156144 998527931 /nfs/dbraw/zinc/52/79/31/998527931.db2.gz KPIDQQJGOQTBHB-JTQLQIEISA-N -1 0 305.342 -0.284 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CCCC1 ZINC001408259374 998576693 /nfs/dbraw/zinc/57/66/93/998576693.db2.gz LTJUZGNCAHPMBP-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001408265685 998579697 /nfs/dbraw/zinc/57/96/97/998579697.db2.gz JLSKOMSGYLLQOY-SNVBAGLBSA-N -1 0 323.397 -0.001 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001408265677 998580398 /nfs/dbraw/zinc/58/03/98/998580398.db2.gz JLSKOMSGYLLQOY-JTQLQIEISA-N -1 0 323.397 -0.001 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)Cc2cc[nH]n2)c1[O-] ZINC001395062283 998590344 /nfs/dbraw/zinc/59/03/44/998590344.db2.gz GFCHPMYMFGESJX-QMMMGPOBSA-N -1 0 320.353 -0.034 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC001395059985 998590999 /nfs/dbraw/zinc/59/09/99/998590999.db2.gz AECDCELEIFPTGK-CBAPKCEASA-N -1 0 323.353 -0.721 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001408486059 998639522 /nfs/dbraw/zinc/63/95/22/998639522.db2.gz JQJKWWYBGQIUQR-HTQZYQBOSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@@H](CN(C)C(=O)C1CC(C)C1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001395555804 998683345 /nfs/dbraw/zinc/68/33/45/998683345.db2.gz FZRGLRYTLAOKEE-MGURRDGZSA-N -1 0 323.353 -0.094 20 0 DBADRM CSCC(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001395625843 998696116 /nfs/dbraw/zinc/69/61/16/998696116.db2.gz CGDWOGJRIZHDEH-ZCFIWIBFSA-N -1 0 315.355 -0.778 20 0 DBADRM CC[C@H](F)C(=O)N[C@H](C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001395628914 998697542 /nfs/dbraw/zinc/69/75/42/998697542.db2.gz JTMSGDUKSJQQOH-SFYZADRCSA-N -1 0 317.321 -0.600 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001395633313 998697640 /nfs/dbraw/zinc/69/76/40/998697640.db2.gz ZYAFWLZEXXATEX-SFYZADRCSA-N -1 0 311.342 -0.094 20 0 DBADRM CC[C@H](C)C(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001395633310 998697720 /nfs/dbraw/zinc/69/77/20/998697720.db2.gz ZYAFWLZEXXATEX-JGVFFNPUSA-N -1 0 311.342 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC23CC3)c1[O-] ZINC001395729897 998746229 /nfs/dbraw/zinc/74/62/29/998746229.db2.gz RNSNOCMPOAMFFU-DTWKUNHWSA-N -1 0 308.338 -0.569 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC23CC3)c1[O-] ZINC001395729906 998746343 /nfs/dbraw/zinc/74/63/43/998746343.db2.gz RNSNOCMPOAMFFU-RKDXNWHRSA-N -1 0 308.338 -0.569 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@@H](C)C2CC2)c1[O-] ZINC001395732348 998748387 /nfs/dbraw/zinc/74/83/87/998748387.db2.gz YHCDBWCKNKWDCK-XVKPBYJWSA-N -1 0 310.354 -0.323 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC001395787482 998776033 /nfs/dbraw/zinc/77/60/33/998776033.db2.gz QOJVWMXHTZPUHI-ZDCRXTMVSA-N -1 0 322.365 -0.323 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])[C@@H]1C ZINC001395835055 998792562 /nfs/dbraw/zinc/79/25/62/998792562.db2.gz AKPIKGVKMXDSRD-PSASIEDQSA-N -1 0 323.353 -0.721 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001396002284 998815157 /nfs/dbraw/zinc/81/51/57/998815157.db2.gz TWXOVQWDDXXSNP-BDAKNGLRSA-N -1 0 316.333 -0.279 20 0 DBADRM CCC(=O)NC[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)(C)C ZINC001396147529 998833463 /nfs/dbraw/zinc/83/34/63/998833463.db2.gz PRAJDUJIONSPHE-SSDOTTSWSA-N -1 0 311.342 -0.047 20 0 DBADRM CC(C)C(=O)N1CC[C@@H]1CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001396516171 998871487 /nfs/dbraw/zinc/87/14/87/998871487.db2.gz VGEKBGBAQUDZGM-SECBINFHSA-N -1 0 311.342 -0.595 20 0 DBADRM O=C(CCCF)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001396731979 998891064 /nfs/dbraw/zinc/89/10/64/998891064.db2.gz LHOSXDUFXRMGBP-UHFFFAOYSA-N -1 0 315.305 -0.890 20 0 DBADRM CC(C)CC(=O)N[C@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001397234745 998997739 /nfs/dbraw/zinc/99/77/39/998997739.db2.gz RDPUKKUOEHHMKF-AOOOYVTPSA-N -1 0 322.365 -0.091 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001397514594 999068523 /nfs/dbraw/zinc/06/85/23/999068523.db2.gz IYUKJPYBQKSMED-FKTZTGRPSA-N -1 0 323.353 -0.644 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1(C2CC2)CC1 ZINC001397525419 999071749 /nfs/dbraw/zinc/07/17/49/999071749.db2.gz QZJISVHBRIEEHX-ZETCQYMHSA-N -1 0 321.337 -0.293 20 0 DBADRM CCC(C)(C)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397529481 999072578 /nfs/dbraw/zinc/07/25/78/999072578.db2.gz YUPMHZJZJMTNTN-ZETCQYMHSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@H](CNC(=O)C1(C)CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397529090 999072596 /nfs/dbraw/zinc/07/25/96/999072596.db2.gz YYLCOEAEINMLAC-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2cnnn2C)c1[O-] ZINC001397917146 999171961 /nfs/dbraw/zinc/17/19/61/999171961.db2.gz KONMVINEASNPDU-UHFFFAOYSA-N -1 0 307.314 -0.946 20 0 DBADRM CS[C@@H](C)C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397987232 999189180 /nfs/dbraw/zinc/18/91/80/999189180.db2.gz JBLFUYGOMFGCBD-ZETCQYMHSA-N -1 0 317.371 -0.985 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@]2(C)CCC(=O)N2)c1[O-] ZINC001398026299 999199525 /nfs/dbraw/zinc/19/95/25/999199525.db2.gz DDSPKBFCXGDHLM-AWEZNQCLSA-N -1 0 323.353 -0.719 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)CCn3cccn3)C2)c1[O-] ZINC001398581439 999305760 /nfs/dbraw/zinc/30/57/60/999305760.db2.gz XJMJMYJQQINDPU-UHFFFAOYSA-N -1 0 318.337 -0.349 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001398585904 999306711 /nfs/dbraw/zinc/30/67/11/999306711.db2.gz NLLQORDBEBJKKY-JTQLQIEISA-N -1 0 323.353 -0.721 20 0 DBADRM O=C(Cn1cccn1)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001398703061 999340170 /nfs/dbraw/zinc/34/01/70/999340170.db2.gz WWFWRYFTHREEOX-LLVKDONJSA-N -1 0 319.369 -0.265 20 0 DBADRM COC[C@H](C)C(=O)N1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001398759438 999352255 /nfs/dbraw/zinc/35/22/55/999352255.db2.gz WEZKUJBIYIAESH-QMMMGPOBSA-N -1 0 310.354 -0.106 20 0 DBADRM CC[C@H](C)C(=O)NC[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001399341010 999414768 /nfs/dbraw/zinc/41/47/68/999414768.db2.gz HHCJGBADSUJLGY-BDAKNGLRSA-N -1 0 313.358 -0.396 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)CCCS(C)(=O)=O)c1[O-] ZINC001399455582 999433832 /nfs/dbraw/zinc/43/38/32/999433832.db2.gz RRTDBAVMBCBQRG-UHFFFAOYSA-N -1 0 318.399 -0.480 20 0 DBADRM CCCC(=O)NC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001399553324 999443743 /nfs/dbraw/zinc/44/37/43/999443743.db2.gz MKUGIJDFNHOEMB-VIFPVBQESA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1noc(C)c1CN(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001399643027 999456525 /nfs/dbraw/zinc/45/65/25/999456525.db2.gz DDAGLBWCGOXVLK-UHFFFAOYSA-N -1 0 324.341 -0.458 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1cscn1 ZINC001399649604 999457545 /nfs/dbraw/zinc/45/75/45/999457545.db2.gz RLMJABHWYXXQPP-UHFFFAOYSA-N -1 0 312.355 -0.606 20 0 DBADRM CC[C@@H](C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1)N1CCCC1=O ZINC001399661867 999460750 /nfs/dbraw/zinc/46/07/50/999460750.db2.gz VJNQDTRCSGJXEA-JTQLQIEISA-N -1 0 324.385 -0.541 20 0 DBADRM CCOc1cnc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001399669828 999462143 /nfs/dbraw/zinc/46/21/43/999462143.db2.gz MDTJRZDJLQZCDU-UHFFFAOYSA-N -1 0 321.341 -0.439 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c2c1CCC2)Cc1n[nH]c(=O)[n-]1 ZINC001399724138 999469044 /nfs/dbraw/zinc/46/90/44/999469044.db2.gz DLMFLGIYJYNPCX-UHFFFAOYSA-N -1 0 319.369 -0.026 20 0 DBADRM CC[C@@H](F)C(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001399718608 999469167 /nfs/dbraw/zinc/46/91/67/999469167.db2.gz CULPHFLWIQOQFX-SSDOTTSWSA-N -1 0 315.305 -0.439 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2cncn2C)c1[O-] ZINC001400003919 999542844 /nfs/dbraw/zinc/54/28/44/999542844.db2.gz FVXSBOZGCMEVPO-SSDOTTSWSA-N -1 0 306.326 -0.294 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)c1cncnc1 ZINC001400008935 999543912 /nfs/dbraw/zinc/54/39/12/999543912.db2.gz IRCCVZHGHAXGIG-UHFFFAOYSA-N -1 0 303.326 -0.305 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001400034052 999547885 /nfs/dbraw/zinc/54/78/85/999547885.db2.gz QRAZMIDQBHVOSM-RNFRBKRXSA-N -1 0 309.326 -0.437 20 0 DBADRM C[C@H](CNC(=O)[C@@H](C)C1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001400061175 999555817 /nfs/dbraw/zinc/55/58/17/999555817.db2.gz NUTALRBGLVOTFD-SFYZADRCSA-N -1 0 311.342 -0.644 20 0 DBADRM CS[C@@H](C)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001400139970 999570195 /nfs/dbraw/zinc/57/01/95/999570195.db2.gz WUTOEJPMURBYCC-WDSKDSINSA-N -1 0 315.355 -0.731 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001400273657 999597651 /nfs/dbraw/zinc/59/76/51/999597651.db2.gz ZEJPANFVSPRNHQ-NKWVEPMBSA-N -1 0 303.294 -0.942 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001597224229 1017190411 /nfs/dbraw/zinc/19/04/11/1017190411.db2.gz OMHKUBAAGFYWBO-SKDRFNHKSA-N -1 0 322.383 -0.546 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001597224115 1017190526 /nfs/dbraw/zinc/19/05/26/1017190526.db2.gz KXMGYIIQRQUHCH-KXUCPTDWSA-N -1 0 322.383 -0.547 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC001597224044 1017190597 /nfs/dbraw/zinc/19/05/97/1017190597.db2.gz ILDHUTSQJNCHSK-YDNLMGDJSA-N -1 0 304.368 -0.078 20 0 DBADRM CCS(=O)(=O)CC(=O)NC[C@H](Cc1ccncc1)C(=O)[O-] ZINC001597208575 1017189458 /nfs/dbraw/zinc/18/94/58/1017189458.db2.gz ZVCYEXHNQBUVIA-NSHDSACASA-N -1 0 314.363 -0.124 20 0 DBADRM CCS(=O)(=O)C1CN([C@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001597208440 1017189496 /nfs/dbraw/zinc/18/94/96/1017189496.db2.gz STUMVRNTIVXXBT-JTQLQIEISA-N -1 0 304.368 -0.819 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001597224390 1017191216 /nfs/dbraw/zinc/19/12/16/1017191216.db2.gz VFHLEWCZIBQFAS-ZCFIWIBFSA-N -1 0 304.328 -0.615 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001597216249 1017191434 /nfs/dbraw/zinc/19/14/34/1017191434.db2.gz YLVODXWHQFKYLY-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM CCS(=O)(=O)NCC(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001597224754 1017191596 /nfs/dbraw/zinc/19/15/96/1017191596.db2.gz FWZGLQXETIWQMG-UHFFFAOYSA-N -1 0 301.324 -0.665 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001597216042 1017190862 /nfs/dbraw/zinc/19/08/62/1017190862.db2.gz QDCYQXKCGUVHLD-LBPRGKRZSA-N -1 0 322.383 -0.592 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)C2(C(=O)[O-])CC2)[C@H](C)C1 ZINC001597221823 1017190897 /nfs/dbraw/zinc/19/08/97/1017190897.db2.gz RKZBELANLGBTAG-SECBINFHSA-N -1 0 304.368 -0.266 20 0 DBADRM CCS(=O)(=O)NCC(=O)NCc1ccccc1C(=O)[O-] ZINC001597224772 1017191850 /nfs/dbraw/zinc/19/18/50/1017191850.db2.gz GIYAOZOUBAPWEV-UHFFFAOYSA-N -1 0 300.336 -0.060 20 0 DBADRM CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC001597236762 1017193112 /nfs/dbraw/zinc/19/31/12/1017193112.db2.gz JQWMQKALNCWRKO-JTQLQIEISA-N -1 0 319.310 -0.205 20 0 DBADRM CCS(=O)(=O)c1ccccc1CC(=O)NC[C@H](O)C(=O)[O-] ZINC001597245674 1017193633 /nfs/dbraw/zinc/19/36/33/1017193633.db2.gz KWUKBLRIEKEUSH-JTQLQIEISA-N -1 0 315.347 -0.416 20 0 DBADRM CCS(=O)(=O)NC1CCN(Cn2cc(C(=O)[O-])nn2)CC1 ZINC001597225417 1017193759 /nfs/dbraw/zinc/19/37/59/1017193759.db2.gz QFOOTUHDNRRARA-UHFFFAOYSA-N -1 0 317.371 -0.663 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC001597225857 1017194276 /nfs/dbraw/zinc/19/42/76/1017194276.db2.gz XJIGLHJYZNJGDB-SNVBAGLBSA-N -1 0 322.383 -0.688 20 0 DBADRM CC[S@@](=O)CCNC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001597249013 1017194205 /nfs/dbraw/zinc/19/42/05/1017194205.db2.gz FMQGZAIPGZFDAE-YEJXKQKISA-N -1 0 318.395 -0.416 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001591036033 1016377547 /nfs/dbraw/zinc/37/75/47/1016377547.db2.gz OWPMROLIWDMWDJ-BXKDBHETSA-N -1 0 322.383 -0.832 20 0 DBADRM CN(C[C@@H](O)C1CC1)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591044600 1016382753 /nfs/dbraw/zinc/38/27/53/1016382753.db2.gz SZCIGXYHHRZBRZ-SECBINFHSA-N -1 0 324.366 -0.347 20 0 DBADRM CC(C)C1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001591058031 1016382840 /nfs/dbraw/zinc/38/28/40/1016382840.db2.gz KXUUJAMZWSMCIG-MNOVXSKESA-N -1 0 324.377 -0.167 20 0 DBADRM CC(C)CC(=O)N1CC(CCO)(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001591105167 1016385020 /nfs/dbraw/zinc/38/50/20/1016385020.db2.gz OVNUGLBUZRGNIC-WDEREUQCSA-N -1 0 312.366 -0.167 20 0 DBADRM CC(C)CC(=O)N1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC001591106212 1016387864 /nfs/dbraw/zinc/38/78/64/1016387864.db2.gz BNFXVRMBHREQNJ-UHFFFAOYSA-N -1 0 323.353 -0.307 20 0 DBADRM CC(C)C[C@H](C(=O)[O-])N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001591120793 1016391552 /nfs/dbraw/zinc/39/15/52/1016391552.db2.gz ONUVXKLHNCKJGL-GHMZBOCLSA-N -1 0 320.411 -0.279 20 0 DBADRM CC(C)C[C@@H](C(N)=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001591123923 1016392042 /nfs/dbraw/zinc/39/20/42/1016392042.db2.gz BLKYBMIDQUATIR-LKFCYVNXSA-N -1 0 311.338 -0.034 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)CCn2cccn2)c1[O-] ZINC001408549920 1000219671 /nfs/dbraw/zinc/21/96/71/1000219671.db2.gz YFNHDNCYFHTPOL-UHFFFAOYSA-N -1 0 320.353 -0.101 20 0 DBADRM CN(CCNC(=O)[C@@H]1CC1(C)C)C(=O)c1cnc([O-])n(C)c1=O ZINC001408551216 1000220494 /nfs/dbraw/zinc/22/04/94/1000220494.db2.gz JMEAUWGFQJLPRB-JTQLQIEISA-N -1 0 322.365 -0.280 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2cncn2C)c1[O-] ZINC001408615952 1000247890 /nfs/dbraw/zinc/24/78/90/1000247890.db2.gz RWNLRFGZVXTRPQ-UHFFFAOYSA-N -1 0 306.326 -0.341 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C(=O)c2nccnc2C1=O)C(=O)[O-] ZINC001591161288 1016397872 /nfs/dbraw/zinc/39/78/72/1016397872.db2.gz HKFQXXOWDGVSSK-QMMMGPOBSA-N -1 0 320.305 -0.312 20 0 DBADRM CN(CCNC(=O)C1(C)CCC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001408649909 1000260883 /nfs/dbraw/zinc/26/08/83/1000260883.db2.gz QBZMRNPCFYWFRE-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM CN(Cn1cccc(-c2nnn[n-]2)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001591154481 1016398648 /nfs/dbraw/zinc/39/86/48/1016398648.db2.gz SRNGRKIFKMBPTB-SECBINFHSA-N -1 0 324.366 -0.895 20 0 DBADRM CC(C)C[C@H](C)NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001591138224 1016399045 /nfs/dbraw/zinc/39/90/45/1016399045.db2.gz SUICRULBOSHAND-HBNTYKKESA-N -1 0 300.355 -0.169 20 0 DBADRM O=C(CCc1cnccn1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001420867567 1000274141 /nfs/dbraw/zinc/27/41/41/1000274141.db2.gz FBQFRKPFVOTEDK-NSHDSACASA-N -1 0 317.353 -0.376 20 0 DBADRM CCC(=O)NCCN(CC)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001408705831 1000277195 /nfs/dbraw/zinc/27/71/95/1000277195.db2.gz UVFYAOIYJHZTJU-UHFFFAOYSA-N -1 0 311.342 -0.410 20 0 DBADRM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001420881056 1000279996 /nfs/dbraw/zinc/27/99/96/1000279996.db2.gz WPFOUURLFDFZCF-GXSJLCMTSA-N -1 0 319.369 -0.197 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)Cc1cc[nH]n1 ZINC001408731702 1000285527 /nfs/dbraw/zinc/28/55/27/1000285527.db2.gz HZCLSECZRAWDLT-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM CN1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CC1=O ZINC001591170962 1016404045 /nfs/dbraw/zinc/40/40/45/1016404045.db2.gz MJKPAFWVZRSJOO-MRVPVSSYSA-N -1 0 302.294 -0.467 20 0 DBADRM O=C(CCCn1ccnc1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001420912166 1000289957 /nfs/dbraw/zinc/28/99/57/1000289957.db2.gz KMKWDKGBFMXKTE-LLVKDONJSA-N -1 0 319.369 -0.122 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN(C)C[C@H]1COCCO1)C(=O)[O-] ZINC001591161954 1016400796 /nfs/dbraw/zinc/40/07/96/1016400796.db2.gz PUMLBTPLIFOJBH-NWDGAFQWSA-N -1 0 302.371 -0.051 20 0 DBADRM C[C@](O)(CC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1)C1CC1 ZINC001420949285 1000306297 /nfs/dbraw/zinc/30/62/97/1000306297.db2.gz WTVQQROLGIYIPT-ZDUSSCGKSA-N -1 0 309.370 -0.200 20 0 DBADRM CC(C)C[C@H](NC(=O)CN(C)C[C@H]1COCCO1)C(=O)[O-] ZINC001591161955 1016402590 /nfs/dbraw/zinc/40/25/90/1016402590.db2.gz PUMLBTPLIFOJBH-RYUDHWBXSA-N -1 0 302.371 -0.051 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)[C@H]1CCCC(=O)N1)C(=O)[O-] ZINC001591169527 1016403711 /nfs/dbraw/zinc/40/37/11/1016403711.db2.gz IGJHUKZEIKHHRY-NXEZZACHSA-N -1 0 314.338 -0.186 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCN2CCOC[C@H]2C1)C(=O)[O-] ZINC001591168433 1016403740 /nfs/dbraw/zinc/40/37/40/1016403740.db2.gz YEOXNEZWKDTQCY-OLZOCXBDSA-N -1 0 313.398 -0.382 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)[C@@H]1CCC(=O)N1C)C(=O)[O-] ZINC001591169945 1016403829 /nfs/dbraw/zinc/40/38/29/1016403829.db2.gz MBCNGZPYMOVPTD-UWVGGRQHSA-N -1 0 314.338 -0.234 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCN2CCOC[C@H]2C1)C(=O)[O-] ZINC001591168432 1016406014 /nfs/dbraw/zinc/40/60/14/1016406014.db2.gz YEOXNEZWKDTQCY-CHWSQXEVSA-N -1 0 313.398 -0.382 20 0 DBADRM O=C(CCc1cncs1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421067795 1000352496 /nfs/dbraw/zinc/35/24/96/1000352496.db2.gz JAYDOMOCQVMSJM-UHFFFAOYSA-N -1 0 308.367 -0.100 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NC1CN(C(=O)C2CCC2)C1 ZINC001409075257 1000355309 /nfs/dbraw/zinc/35/53/09/1000355309.db2.gz NOEIUJCTOXHTKX-UHFFFAOYSA-N -1 0 321.337 -0.658 20 0 DBADRM COC[C@@H](OC)C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001409105726 1000366141 /nfs/dbraw/zinc/36/61/41/1000366141.db2.gz FEEWCPTYDYRZLF-SECBINFHSA-N -1 0 312.326 -0.974 20 0 DBADRM CC(C)(C)C(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001409166287 1000388385 /nfs/dbraw/zinc/38/83/85/1000388385.db2.gz ZUBSDJZJSKEVAX-UHFFFAOYSA-N -1 0 311.342 -0.690 20 0 DBADRM CC(C)(F)C(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001409165919 1000388474 /nfs/dbraw/zinc/38/84/74/1000388474.db2.gz MOOZJOOSZQDBKB-UHFFFAOYSA-N -1 0 315.305 -0.988 20 0 DBADRM Cc1nccn1CC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421186776 1000398295 /nfs/dbraw/zinc/39/82/95/1000398295.db2.gz LMCAFAPTVSHXCQ-UHFFFAOYSA-N -1 0 305.342 -0.737 20 0 DBADRM CCC(=O)NCC(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421188939 1000399506 /nfs/dbraw/zinc/39/95/06/1000399506.db2.gz XVSKCJXUTJGXFA-ZDUSSCGKSA-N -1 0 310.358 -0.883 20 0 DBADRM CC[C@@H](CNC(=O)CC(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001409224540 1000401531 /nfs/dbraw/zinc/40/15/31/1000401531.db2.gz FHRYHIXSHNHXEI-QMMMGPOBSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@@]1(NC(=O)CC2(O)CCC2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421194990 1000401608 /nfs/dbraw/zinc/40/16/08/1000401608.db2.gz SMHIKTWBABYIJS-CYBMUJFWSA-N -1 0 309.370 -0.104 20 0 DBADRM CC[C@@H](CNC(=O)C1=CCCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001409254987 1000410492 /nfs/dbraw/zinc/41/04/92/1000410492.db2.gz MNXRPCZOTLTSOZ-JTQLQIEISA-N -1 0 323.353 -0.189 20 0 DBADRM COCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCC1(F)F ZINC001421320283 1000440080 /nfs/dbraw/zinc/44/00/80/1000440080.db2.gz OUFLYLLWIUKPPV-MRVPVSSYSA-N -1 0 319.312 -0.270 20 0 DBADRM Cc1cc(CN(C)[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)on1 ZINC001409599552 1000483062 /nfs/dbraw/zinc/48/30/62/1000483062.db2.gz LZRHOYNMKJTJIV-QMMMGPOBSA-N -1 0 322.325 -0.170 20 0 DBADRM Cc1cc(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)c(C)o1 ZINC001421407788 1000490005 /nfs/dbraw/zinc/49/00/05/1000490005.db2.gz CPRJGXDGPDALIC-UHFFFAOYSA-N -1 0 321.337 -0.303 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1(C(F)F)CC1 ZINC001421439554 1000508998 /nfs/dbraw/zinc/50/89/98/1000508998.db2.gz XKHXENZWEBRAQY-UHFFFAOYSA-N -1 0 317.296 -0.782 20 0 DBADRM CCCN1CC(O)(CNC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC001421452536 1000514914 /nfs/dbraw/zinc/51/49/14/1000514914.db2.gz JIAFRHJNPMXGNX-UHFFFAOYSA-N -1 0 324.425 -0.052 20 0 DBADRM CN(Cc1cc(=O)n2[n-]c(N)nc2n1)[C@H]1CCCCNC1=O ZINC001421496372 1000532609 /nfs/dbraw/zinc/53/26/09/1000532609.db2.gz UKUFNKNNQZBMFW-VIFPVBQESA-N -1 0 305.342 -0.900 20 0 DBADRM Cc1cc(=O)c(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)c[nH]1 ZINC001409766609 1000534207 /nfs/dbraw/zinc/53/42/07/1000534207.db2.gz UYDRTYGHLRSKCI-SECBINFHSA-N -1 0 320.353 -0.243 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)n1cccn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001409837731 1000536883 /nfs/dbraw/zinc/53/68/83/1000536883.db2.gz IAJZTXRPPVCXFI-NXEZZACHSA-N -1 0 319.369 -0.096 20 0 DBADRM CC(=O)NC[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)C ZINC001409877914 1000543704 /nfs/dbraw/zinc/54/37/04/1000543704.db2.gz RFQONALUTSSZKZ-NSHDSACASA-N -1 0 320.353 -0.652 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)c1ccoc1 ZINC001409965440 1000564663 /nfs/dbraw/zinc/56/46/63/1000564663.db2.gz JEOWPTSRWIOEGL-UHFFFAOYSA-N -1 0 321.293 -0.280 20 0 DBADRM CC(C)C[C@@H]1C(=O)NCCN1C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001591197808 1016424032 /nfs/dbraw/zinc/42/40/32/1016424032.db2.gz PPIAXAPHWJJBKE-LLVKDONJSA-N -1 0 308.338 -0.046 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001421695320 1000594076 /nfs/dbraw/zinc/59/40/76/1000594076.db2.gz SRGWEPANODRAHN-UWVGGRQHSA-N -1 0 313.358 -0.748 20 0 DBADRM O=C(CCCF)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001421714859 1000600728 /nfs/dbraw/zinc/60/07/28/1000600728.db2.gz WHHJHINKLZRRFO-VIFPVBQESA-N -1 0 301.322 -0.423 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001421713170 1000601876 /nfs/dbraw/zinc/60/18/76/1000601876.db2.gz HROXQPUJZFZPKL-ZOFUNIGCSA-N -1 0 317.353 -0.914 20 0 DBADRM CNC(=O)[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001591204346 1016427964 /nfs/dbraw/zinc/42/79/64/1016427964.db2.gz VWEWPKTYUYNBMS-VIFPVBQESA-N -1 0 316.321 -0.220 20 0 DBADRM C[C@H](CNC(=O)C1(C)CC1)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001410238153 1000691670 /nfs/dbraw/zinc/69/16/70/1000691670.db2.gz KXYKAKFOAPCSQC-MRVPVSSYSA-N -1 0 323.353 -0.364 20 0 DBADRM C[C@H](CNC(=O)CCC1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001410266424 1000701234 /nfs/dbraw/zinc/70/12/34/1000701234.db2.gz PAXVPLSVCTZABX-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@]2(C)CNC(=O)C2)c1[O-] ZINC001410342416 1000728772 /nfs/dbraw/zinc/72/87/72/1000728772.db2.gz CJIMFMLGRNESON-WJWGPLDTSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1c(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)nnn1C ZINC001422150313 1000738205 /nfs/dbraw/zinc/73/82/05/1000738205.db2.gz RJZHSJWREIUCPN-UHFFFAOYSA-N -1 0 308.346 -0.849 20 0 DBADRM CC(C)CCC(=O)NCC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001591212569 1016432570 /nfs/dbraw/zinc/43/25/70/1016432570.db2.gz ZSNSJNLKTCTJNH-ZWNOBZJWSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@@H](CNC(=O)C1CCCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001410418288 1000760756 /nfs/dbraw/zinc/76/07/56/1000760756.db2.gz DPQPALSHOPGMPG-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM CNC(=O)c1cccc(Cn2cnc(-c3nnn[n-]3)cc2=O)c1 ZINC001591214765 1016434179 /nfs/dbraw/zinc/43/41/79/1016434179.db2.gz BZOBELLDKKXEBM-UHFFFAOYSA-N -1 0 311.305 -0.169 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]2CN(C)[C@@H](C)C(N)=O)c1[O-] ZINC001422230129 1000773397 /nfs/dbraw/zinc/77/33/97/1000773397.db2.gz GBJNBGFKEWZXLQ-VHSXEESVSA-N -1 0 309.370 -0.166 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001410609369 1000829289 /nfs/dbraw/zinc/82/92/89/1000829289.db2.gz LHJIFUXZEJYWLK-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM COC(=O)C(C)(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591227000 1016443371 /nfs/dbraw/zinc/44/33/71/1016443371.db2.gz KVOWOPUPECXXHI-UHFFFAOYSA-N -1 0 315.311 -0.310 20 0 DBADRM COC(=O)C1(CNc2ccnc(-c3nnn[n-]3)n2)CCOCC1 ZINC001591242683 1016447236 /nfs/dbraw/zinc/44/72/36/1016447236.db2.gz WICWOWCKLXDVFH-UHFFFAOYSA-N -1 0 319.325 -0.540 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)[C@H]3CCOC3)CC2)c1[O-] ZINC001410707884 1000869552 /nfs/dbraw/zinc/86/95/52/1000869552.db2.gz LIDHXZMNGWKJKP-VIFPVBQESA-N -1 0 308.338 -0.161 20 0 DBADRM C[C@@H](CNC(=O)c1cnn(C)c1N)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422492120 1000884329 /nfs/dbraw/zinc/88/43/29/1000884329.db2.gz JGNIIBFOFGPLGX-ZETCQYMHSA-N -1 0 308.346 -0.924 20 0 DBADRM O=C(CC1CC1)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001410770493 1000895120 /nfs/dbraw/zinc/89/51/20/1000895120.db2.gz GHZGAAFZUWYMJD-UHFFFAOYSA-N -1 0 307.310 -0.539 20 0 DBADRM C[C@H](CNC(=O)COCC(F)F)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422540729 1000901840 /nfs/dbraw/zinc/90/18/40/1000901840.db2.gz RYPJAICHNNUBTR-SSDOTTSWSA-N -1 0 307.301 -0.272 20 0 DBADRM C[C@@H](CNC(=O)[C@]1(F)CCOC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422555662 1000907775 /nfs/dbraw/zinc/90/77/75/1000907775.db2.gz XMDMIGWBVZZFNT-UFBFGSQYSA-N -1 0 301.322 -0.425 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)[C@@H]3CCC(=O)N3)CC2)c1[O-] ZINC001410796974 1000912944 /nfs/dbraw/zinc/91/29/44/1000912944.db2.gz SKAVXGYWZFJJJO-QMMMGPOBSA-N -1 0 321.337 -0.919 20 0 DBADRM COC(=O)[C@@H]1CCN(Cn2cccc(-c3nnn[n-]3)c2=O)[C@H]1C ZINC001591252703 1016453623 /nfs/dbraw/zinc/45/36/23/1016453623.db2.gz MGILDWRYHMHCOL-VHSXEESVSA-N -1 0 318.337 -0.131 20 0 DBADRM COC(=O)CC1(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)CC1 ZINC001591260372 1016454638 /nfs/dbraw/zinc/45/46/38/1016454638.db2.gz VEKFVODXCKHQGY-UHFFFAOYSA-N -1 0 320.309 -0.930 20 0 DBADRM CO[C@H](C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001422723661 1000986622 /nfs/dbraw/zinc/98/66/22/1000986622.db2.gz QEBDZTNQKLJQTE-UFBFGSQYSA-N -1 0 309.370 -0.128 20 0 DBADRM CO[C@@H](C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001422723659 1000986697 /nfs/dbraw/zinc/98/66/97/1000986697.db2.gz QEBDZTNQKLJQTE-PRHODGIISA-N -1 0 309.370 -0.128 20 0 DBADRM C[C@@H](NC(=O)[C@@]1(C)CCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001422741883 1000992710 /nfs/dbraw/zinc/99/27/10/1000992710.db2.gz CPNGVSMZCNLRPW-OTYXRUKQSA-N -1 0 309.370 -0.127 20 0 DBADRM COC(=O)CCNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001591264780 1016457297 /nfs/dbraw/zinc/45/72/97/1016457297.db2.gz IMANLSHEDQFWIP-UHFFFAOYSA-N -1 0 306.282 -0.431 20 0 DBADRM COC(=O)CCCO[N-]C(=O)Cc1noc(C)c1-c1nn[nH]n1 ZINC001591264189 1016458301 /nfs/dbraw/zinc/45/83/01/1016458301.db2.gz XFEJPORIDZKLLV-UHFFFAOYSA-N -1 0 324.297 -0.293 20 0 DBADRM CNC(=O)CCCC(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001422815813 1001021627 /nfs/dbraw/zinc/02/16/27/1001021627.db2.gz YSKKDFSLCQGFDZ-SECBINFHSA-N -1 0 312.374 -0.637 20 0 DBADRM COC(=O)CCCCn1c(=O)c(-c2nnn[n-]2)c(C)n(C)c1=O ZINC001591262017 1016459321 /nfs/dbraw/zinc/45/93/21/1016459321.db2.gz HLDPASWKVXRWEH-UHFFFAOYSA-N -1 0 322.325 -0.621 20 0 DBADRM CO[C@@H](C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1CC1 ZINC001422853889 1001034332 /nfs/dbraw/zinc/03/43/32/1001034332.db2.gz XZFSAQBHAPHKAE-HNCHTBHHSA-N -1 0 321.381 -0.271 20 0 DBADRM COC(=O)C[C@H](C)OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591270077 1016460285 /nfs/dbraw/zinc/46/02/85/1016460285.db2.gz JKLPCKILSFYCRQ-NKWVEPMBSA-N -1 0 309.286 -0.486 20 0 DBADRM C[C@@H](CN(C)Cc1ccon1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001422921786 1001060769 /nfs/dbraw/zinc/06/07/69/1001060769.db2.gz LEQDGEIWWHJSLY-QMMMGPOBSA-N -1 0 310.314 -0.686 20 0 DBADRM C[C@H](C(N)=O)N(C)C[C@H](C)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001422916103 1001061552 /nfs/dbraw/zinc/06/15/52/1001061552.db2.gz VGYQTELCSSJUSK-JGVFFNPUSA-N -1 0 321.337 -0.148 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)CCCF ZINC001411175729 1001062210 /nfs/dbraw/zinc/06/22/10/1001062210.db2.gz NKXHETBMOORJOC-VIFPVBQESA-N -1 0 303.338 -0.489 20 0 DBADRM COC(=O)C[C@H](C)OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591270076 1016462904 /nfs/dbraw/zinc/46/29/04/1016462904.db2.gz JKLPCKILSFYCRQ-BQBZGAKWSA-N -1 0 309.286 -0.486 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CNCc2nnnn2C)C2CC2)c1[O-] ZINC001422980181 1001077857 /nfs/dbraw/zinc/07/78/57/1001077857.db2.gz VFNZSQNZHGEFMD-SECBINFHSA-N -1 0 320.357 -0.755 20 0 DBADRM O=C(CC1CC1)NC1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001411291820 1001091421 /nfs/dbraw/zinc/09/14/21/1001091421.db2.gz SMSFTJLNZIZBBS-UHFFFAOYSA-N -1 0 323.353 -0.500 20 0 DBADRM Cc1nnc(CC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)o1 ZINC001423087145 1001113347 /nfs/dbraw/zinc/11/33/47/1001113347.db2.gz RPJFMXMXXFUHSR-QMMMGPOBSA-N -1 0 307.314 -0.865 20 0 DBADRM CCn1cccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1=O ZINC001411444584 1001127442 /nfs/dbraw/zinc/12/74/42/1001127442.db2.gz QNMGRYUREATQME-UHFFFAOYSA-N -1 0 314.305 -0.109 20 0 DBADRM C[C@H](CNC(=O)CC1CC1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001411473013 1001130627 /nfs/dbraw/zinc/13/06/27/1001130627.db2.gz CMHQYYUPAQBDCX-SECBINFHSA-N -1 0 322.365 -0.137 20 0 DBADRM COC(=O)N[C@H]1CCN(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001591275571 1016468101 /nfs/dbraw/zinc/46/81/01/1016468101.db2.gz OCFDQLUROCLXMK-VIFPVBQESA-N -1 0 319.325 -0.584 20 0 DBADRM CN(C)C(=O)COc1ccccc1C(=O)N(C)c1nnn[n-]1 ZINC001411480423 1001132236 /nfs/dbraw/zinc/13/22/36/1001132236.db2.gz PSKIPLOGGCWUKH-UHFFFAOYSA-N -1 0 304.310 -0.057 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2CCOC2)c1 ZINC001591286383 1016472725 /nfs/dbraw/zinc/47/27/25/1016472725.db2.gz FGXLFJNDCGGSPO-QMMMGPOBSA-N -1 0 305.294 -0.149 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001411542074 1001154959 /nfs/dbraw/zinc/15/49/59/1001154959.db2.gz HYMFLOKVZRISJL-BDAKNGLRSA-N -1 0 319.321 -0.471 20 0 DBADRM C[C@@H](C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1)n1cccn1 ZINC001423198523 1001163463 /nfs/dbraw/zinc/16/34/63/1001163463.db2.gz VRZFLHIEKPCLLQ-VIFPVBQESA-N -1 0 305.342 -0.294 20 0 DBADRM COC(=O)[C@H](C)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001411618183 1001179505 /nfs/dbraw/zinc/17/95/05/1001179505.db2.gz OFBMIHZNOVILLB-VIFPVBQESA-N -1 0 319.321 -0.136 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2cc[nH]n2)c1 ZINC001591285747 1016471684 /nfs/dbraw/zinc/47/16/84/1016471684.db2.gz NYCZWTUWLFQZPS-UHFFFAOYSA-N -1 0 301.266 -0.414 20 0 DBADRM C[C@H](CN1CCCC1=O)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001411732405 1001209107 /nfs/dbraw/zinc/20/91/07/1001209107.db2.gz YKZJYXBVVHFIJM-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM COC(C)(C)C(=O)COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591314638 1016474451 /nfs/dbraw/zinc/47/44/51/1016474451.db2.gz KWTUMAGVDLTZEG-ZETCQYMHSA-N -1 0 323.313 -0.444 20 0 DBADRM Cc1cccc(CC(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001423256750 1001210994 /nfs/dbraw/zinc/21/09/94/1001210994.db2.gz HMHRBZKJILAYMA-GFCCVEGCSA-N -1 0 319.365 -0.372 20 0 DBADRM CO[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001591319917 1016474749 /nfs/dbraw/zinc/47/47/49/1016474749.db2.gz MGUSGUODKPACOM-ZCFIWIBFSA-N -1 0 312.311 -0.899 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H](C(F)(F)F)O1 ZINC001411837166 1001234096 /nfs/dbraw/zinc/23/40/96/1001234096.db2.gz OELCTVLPLZTJAH-RITPCOANSA-N -1 0 310.232 -0.133 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001411878839 1001240305 /nfs/dbraw/zinc/24/03/05/1001240305.db2.gz BYBPGKAVKICKFJ-UHFFFAOYSA-N -1 0 324.362 -0.328 20 0 DBADRM O=C(N[C@@H]1CCCC[C@H]1N1CCOCC1)c1n[nH]c(=O)[n-]c1=O ZINC001411886737 1001241414 /nfs/dbraw/zinc/24/14/14/1001241414.db2.gz FKCHWHWUKSPYBM-NXEZZACHSA-N -1 0 323.353 -0.344 20 0 DBADRM CO[C@H](C)Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C2CC2)c1=O ZINC001591325314 1016477533 /nfs/dbraw/zinc/47/75/33/1016477533.db2.gz YOFNUEMNIRFRMR-SSDOTTSWSA-N -1 0 306.326 -0.132 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1[O-] ZINC001411912022 1001248055 /nfs/dbraw/zinc/24/80/55/1001248055.db2.gz IDFKMRDVUGZPJR-BDAKNGLRSA-N -1 0 316.383 -0.129 20 0 DBADRM CCc1nnsc1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597741715 1017207077 /nfs/dbraw/zinc/20/70/77/1017207077.db2.gz RRMATFCYUHUHNE-HTQZYQBOSA-N -1 0 324.362 -0.238 20 0 DBADRM CCOC(=O)[C@H]1CCCN(CC(=O)NCc2nc(=O)o[n-]2)C1 ZINC001411954782 1001261576 /nfs/dbraw/zinc/26/15/76/1001261576.db2.gz QGBWZSBFEDPURI-VIFPVBQESA-N -1 0 312.326 -0.746 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001411979422 1001267141 /nfs/dbraw/zinc/26/71/41/1001267141.db2.gz NVJXXDNRXZUHAP-NQMVMOMDSA-N -1 0 323.353 -0.692 20 0 DBADRM C[C@@H](CN(C)C(=O)CNc1ccccc1C(N)=O)c1nnn[n-]1 ZINC001411988884 1001269849 /nfs/dbraw/zinc/26/98/49/1001269849.db2.gz GTAWKZMZYYAWBB-VIFPVBQESA-N -1 0 317.353 -0.027 20 0 DBADRM CO[C@H](C)CCNS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591321435 1016480083 /nfs/dbraw/zinc/48/00/83/1016480083.db2.gz BFXUAFLQFMLNFU-MRVPVSSYSA-N -1 0 312.355 -0.035 20 0 DBADRM C[C@@H](CN(C)C(=O)C[C@@H]1CCS(=O)(=O)C1)c1nnn[n-]1 ZINC001411992574 1001271265 /nfs/dbraw/zinc/27/12/65/1001271265.db2.gz SLSWGLCHQJYQMH-IUCAKERBSA-N -1 0 301.372 -0.414 20 0 DBADRM CC1=C(C(=O)N(C)C[C@H](C)c2nnn[n-]2)S(=O)(=O)CCO1 ZINC001411989665 1001271304 /nfs/dbraw/zinc/27/13/04/1001271304.db2.gz JGNBKANIDJHPPL-ZETCQYMHSA-N -1 0 315.355 -0.562 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC001423375725 1001272668 /nfs/dbraw/zinc/27/26/68/1001272668.db2.gz OSYXUXLVZNAFHO-WPRPVWTQSA-N -1 0 310.358 -0.885 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001423375722 1001272850 /nfs/dbraw/zinc/27/28/50/1001272850.db2.gz OSYXUXLVZNAFHO-SCZZXKLOSA-N -1 0 310.358 -0.885 20 0 DBADRM CO[C@H](CC(C)C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591327725 1016483538 /nfs/dbraw/zinc/48/35/38/1016483538.db2.gz SXUSFYASHPSBDT-SECBINFHSA-N -1 0 308.346 -0.365 20 0 DBADRM CN(C(=O)CCc1c[nH]cn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423409774 1001285430 /nfs/dbraw/zinc/28/54/30/1001285430.db2.gz XQPFWQIHDUIIHK-UHFFFAOYSA-N -1 0 305.342 -0.491 20 0 DBADRM COc1c(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cnn1C ZINC001412053616 1001288857 /nfs/dbraw/zinc/28/88/57/1001288857.db2.gz BAUCCHIVVGXYKG-UHFFFAOYSA-N -1 0 307.314 -0.934 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)CCC1 ZINC001412053962 1001289255 /nfs/dbraw/zinc/28/92/55/1001289255.db2.gz BCJJFSDALHVNDT-VIFPVBQESA-N -1 0 313.383 -0.127 20 0 DBADRM CS(=O)(=O)[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001412059652 1001292248 /nfs/dbraw/zinc/29/22/48/1001292248.db2.gz WXNPZDBLKGEBMS-QMMMGPOBSA-N -1 0 310.335 -0.718 20 0 DBADRM CCn1cccc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)c1=O ZINC001412084155 1001296978 /nfs/dbraw/zinc/29/69/78/1001296978.db2.gz DPFWBAINHNZARI-UHFFFAOYSA-N -1 0 321.337 -0.033 20 0 DBADRM Cn1cnc([N-]C(=O)c2cc(S(N)(=O)=O)c(Cl)o2)n1 ZINC001412179590 1001325094 /nfs/dbraw/zinc/32/50/94/1001325094.db2.gz ITRPWYZSBBQBLW-UHFFFAOYSA-N -1 0 305.703 -0.039 20 0 DBADRM C[C@]1(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CCOC1=O ZINC001412201828 1001330575 /nfs/dbraw/zinc/33/05/75/1001330575.db2.gz FBBRUVYWIZDOCY-ZDUSSCGKSA-N -1 0 302.294 -0.490 20 0 DBADRM COC1CC(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001591345014 1016481773 /nfs/dbraw/zinc/48/17/73/1016481773.db2.gz VUERDKFKAJOZGO-UHFFFAOYSA-N -1 0 306.330 -0.611 20 0 DBADRM COC1CC(CCNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001591344979 1016481810 /nfs/dbraw/zinc/48/18/10/1016481810.db2.gz SONAOSVMYGRJND-XNWIYYODSA-N -1 0 320.357 -0.050 20 0 DBADRM CO[C@@H]([C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C1CC1 ZINC001591327067 1016481894 /nfs/dbraw/zinc/48/18/94/1016481894.db2.gz PUVLKPUFEZUMRL-RCOVLWMOSA-N -1 0 321.341 -0.109 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)c1cocn1 ZINC001423504671 1001350152 /nfs/dbraw/zinc/35/01/52/1001350152.db2.gz PIMKCQJAGRTUHN-MRVPVSSYSA-N -1 0 310.314 -0.937 20 0 DBADRM CC(=O)NCCN(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412286619 1001358382 /nfs/dbraw/zinc/35/83/82/1001358382.db2.gz QRPAKRGPUYGEQW-UHFFFAOYSA-N -1 0 303.326 -0.717 20 0 DBADRM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001423518096 1001359025 /nfs/dbraw/zinc/35/90/25/1001359025.db2.gz IHPWMHHQUDDHJH-ONGXEEELSA-N -1 0 311.386 -0.193 20 0 DBADRM Cn1nnc2c1CC[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C2 ZINC001412295446 1001359526 /nfs/dbraw/zinc/35/95/26/1001359526.db2.gz FSVMVXFITXPOFZ-QMMMGPOBSA-N -1 0 321.341 -0.728 20 0 DBADRM CN(C)C(=O)N1CCC(C(=O)N(C)Cc2nc(=O)o[n-]2)CC1 ZINC001412291577 1001359563 /nfs/dbraw/zinc/35/95/63/1001359563.db2.gz LVOFYQYWSQGALW-UHFFFAOYSA-N -1 0 311.342 -0.285 20 0 DBADRM CCC(=O)N[C@H](CCSC)C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001412294396 1001359697 /nfs/dbraw/zinc/35/96/97/1001359697.db2.gz XIRZRCJXGWWOKI-MRVPVSSYSA-N -1 0 316.383 -0.031 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CNc1ccccc1C(N)=O ZINC001412294355 1001360066 /nfs/dbraw/zinc/36/00/66/1001360066.db2.gz XDUHMZGIASHMHM-UHFFFAOYSA-N -1 0 305.294 -0.468 20 0 DBADRM COC(=O)c1ccc(CC(=O)N(C)Cc2nc(=O)o[n-]2)cn1 ZINC001412292791 1001360088 /nfs/dbraw/zinc/36/00/88/1001360088.db2.gz RGJKIHDQBKKTNG-UHFFFAOYSA-N -1 0 306.278 -0.254 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C1CC1 ZINC001412304889 1001363072 /nfs/dbraw/zinc/36/30/72/1001363072.db2.gz VGFKORDNBVUVEF-DTWKUNHWSA-N -1 0 310.310 -0.653 20 0 DBADRM O=C(NC1(CCO)CCOCC1)c1c[n-]n2c1nccc2=O ZINC001412333253 1001370418 /nfs/dbraw/zinc/37/04/18/1001370418.db2.gz ZVMYGSPYOYVTED-UHFFFAOYSA-N -1 0 306.322 -0.316 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423557920 1001375189 /nfs/dbraw/zinc/37/51/89/1001375189.db2.gz BWYCMCIFYHCNNO-LKFCYVNXSA-N -1 0 324.385 -0.494 20 0 DBADRM CC(C)CN1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1=O ZINC001591365899 1016490448 /nfs/dbraw/zinc/49/04/48/1016490448.db2.gz FRXOUOYVUQYZPW-SNVBAGLBSA-N -1 0 306.384 -0.163 20 0 DBADRM CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)c1cn[nH]n1 ZINC001423571657 1001379775 /nfs/dbraw/zinc/37/97/75/1001379775.db2.gz XACVWUXQUWWLLI-UHFFFAOYSA-N -1 0 308.346 -0.389 20 0 DBADRM Nc1nnc([C@H]2CCCN(C(=O)CCCc3nnn[n-]3)C2)o1 ZINC001412380453 1001381245 /nfs/dbraw/zinc/38/12/45/1001381245.db2.gz SMMNQPLFEJEPCS-QMMMGPOBSA-N -1 0 306.330 -0.106 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)c2c[n-]ncc2=O)CC1 ZINC001412380508 1001381301 /nfs/dbraw/zinc/38/13/01/1001381301.db2.gz CAVOOILXYJNJTI-UHFFFAOYSA-N -1 0 300.340 -0.710 20 0 DBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001412392147 1001384130 /nfs/dbraw/zinc/38/41/30/1001384130.db2.gz ITPULXSQQHJTBD-LLVKDONJSA-N -1 0 323.401 -0.809 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001412392149 1001384475 /nfs/dbraw/zinc/38/44/75/1001384475.db2.gz ITPULXSQQHJTBD-NSHDSACASA-N -1 0 323.401 -0.809 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H]1CCS(=O)(=O)C1 ZINC001423591745 1001385764 /nfs/dbraw/zinc/38/57/64/1001385764.db2.gz PDHSNDYVZDTENL-ZETCQYMHSA-N -1 0 323.348 -0.468 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1 ZINC001423591742 1001385786 /nfs/dbraw/zinc/38/57/86/1001385786.db2.gz PDHSNDYVZDTENL-SSDOTTSWSA-N -1 0 323.348 -0.468 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CCCc1nnn[n-]1 ZINC001412401102 1001386764 /nfs/dbraw/zinc/38/67/64/1001386764.db2.gz AYWZQOFMSLUWTI-VIFPVBQESA-N -1 0 316.387 -0.808 20 0 DBADRM COCCN(CCNC(=O)C(C)(F)F)Cc1n[nH]c(=O)[n-]1 ZINC001423622055 1001392186 /nfs/dbraw/zinc/39/21/86/1001392186.db2.gz RSQMCWFAWTZNRG-UHFFFAOYSA-N -1 0 307.301 -0.270 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)NC[C@H](O)[C@@H](C)O)cc2=O)cc1 ZINC001412415552 1001393493 /nfs/dbraw/zinc/39/34/93/1001393493.db2.gz OOPPLANOBHBELC-MFKMUULPSA-N -1 0 305.334 -0.054 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)NC[C@@H](O)[C@H](C)O)cc2=O)cc1 ZINC001412415542 1001393836 /nfs/dbraw/zinc/39/38/36/1001393836.db2.gz OOPPLANOBHBELC-GXFFZTMASA-N -1 0 305.334 -0.054 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1c[n-]ncc1=O ZINC001412425372 1001397790 /nfs/dbraw/zinc/39/77/90/1001397790.db2.gz GFZWCPZBNTZSPU-SECBINFHSA-N -1 0 314.367 -0.274 20 0 DBADRM CO[C@@H]1CC[C@@H](C)N(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001591347976 1016486992 /nfs/dbraw/zinc/48/69/92/1016486992.db2.gz NBCINMHKBVZVHE-RKDXNWHRSA-N -1 0 306.330 -0.516 20 0 DBADRM CO[C@@H]1CC[C@@H]1N(C)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591354456 1016487804 /nfs/dbraw/zinc/48/78/04/1016487804.db2.gz OPVBLFNSTIEOJY-HRDYMLBCSA-N -1 0 306.330 -0.345 20 0 DBADRM C[C@H](NC(=O)CCCc1nnn[n-]1)C(=O)NCc1ccco1 ZINC001412483261 1001422164 /nfs/dbraw/zinc/42/21/64/1001422164.db2.gz MOIAMZVQWDNESG-VIFPVBQESA-N -1 0 306.326 -0.064 20 0 DBADRM CCN(C)C(=O)[C@@H]1CSCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412486347 1001422708 /nfs/dbraw/zinc/42/27/08/1001422708.db2.gz HPLASUZDLSSODS-ZETCQYMHSA-N -1 0 315.355 -0.931 20 0 DBADRM NC(=O)CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1 ZINC001412488623 1001423575 /nfs/dbraw/zinc/42/35/75/1001423575.db2.gz MIXKIUQJZWGGDI-UHFFFAOYSA-N -1 0 305.294 -0.402 20 0 DBADRM NC(=O)C1CCC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001412532795 1001440852 /nfs/dbraw/zinc/44/08/52/1001440852.db2.gz XNDPNGLMTRYLBX-UHFFFAOYSA-N -1 0 318.337 -0.769 20 0 DBADRM Cc1ccoc1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423807520 1001443516 /nfs/dbraw/zinc/44/35/16/1001443516.db2.gz QFCYAZVXRFNWER-UHFFFAOYSA-N -1 0 307.310 -0.612 20 0 DBADRM COC[C@@](C)([N-]S(=O)(=O)C1(C(=O)OC)CCC1)C(=O)OC ZINC001423813730 1001445377 /nfs/dbraw/zinc/44/53/77/1001445377.db2.gz RGTDDZRHOPQAHF-LLVKDONJSA-N -1 0 323.367 -0.420 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001412562121 1001449775 /nfs/dbraw/zinc/44/97/75/1001449775.db2.gz ASBXSBCKARUMJX-ZCFIWIBFSA-N -1 0 304.328 -0.822 20 0 DBADRM O=C(Nc1ccc(OCc2nnn[n-]2)cc1)C1CS(=O)(=O)C1 ZINC001412574955 1001456195 /nfs/dbraw/zinc/45/61/95/1001456195.db2.gz XOUGQLZFFLMMOF-UHFFFAOYSA-N -1 0 323.334 -0.238 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1nnn[n-]1 ZINC001412589257 1001469329 /nfs/dbraw/zinc/46/93/29/1001469329.db2.gz GVYFMDGFKIJKSD-WDEREUQCSA-N -1 0 322.369 -0.348 20 0 DBADRM COC[C@H](C)[C@H](C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591372457 1016496924 /nfs/dbraw/zinc/49/69/24/1016496924.db2.gz HGHHCMUZPKDXKP-IUCAKERBSA-N -1 0 308.346 -0.507 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)Cc1ccccc1)c1nnn[n-]1 ZINC001412590977 1001474490 /nfs/dbraw/zinc/47/44/90/1001474490.db2.gz IQTXSCKVDLZPLU-NSHDSACASA-N -1 0 318.337 -0.638 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cccc(Cl)c1[O-])C(N)=O ZINC001423848159 1001474756 /nfs/dbraw/zinc/47/47/56/1001474756.db2.gz BAPWQUKOBMSMEU-ZETCQYMHSA-N -1 0 308.743 -0.176 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@@H]1CCCC2(CCC2)O1 ZINC001423850955 1001476717 /nfs/dbraw/zinc/47/67/17/1001476717.db2.gz MWJVCEGSGFOTCR-WDEREUQCSA-N -1 0 321.395 -0.069 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001423854852 1001478176 /nfs/dbraw/zinc/47/81/76/1001478176.db2.gz RQEALXJHUPDRCE-OUAUKWLOSA-N -1 0 307.368 -0.603 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1(CCF)CC1 ZINC001423873599 1001499203 /nfs/dbraw/zinc/49/92/03/1001499203.db2.gz YKHUJUYKACYPFK-UHFFFAOYSA-N -1 0 313.333 -0.687 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H](CO)C[C@@H]1CCCO1 ZINC001412633226 1001515344 /nfs/dbraw/zinc/51/53/44/1001515344.db2.gz YGTOZJFXQJFLTB-YUMQZZPRSA-N -1 0 302.356 -0.351 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)NCc3n[nH]c(=O)[n-]3)CCC2=O)cn1 ZINC001412634812 1001516603 /nfs/dbraw/zinc/51/66/03/1001516603.db2.gz MYAOYALPKDJXPO-MRVPVSSYSA-N -1 0 319.325 -0.697 20 0 DBADRM COC[C@@H](Cn1cnc2ncc(-c3nnn[n-]3)c(=O)n21)C(C)C ZINC001591379906 1016501650 /nfs/dbraw/zinc/50/16/50/1016501650.db2.gz USIHBAGOJCLQBE-SECBINFHSA-N -1 0 318.341 -0.010 20 0 DBADRM O=C(N[C@H]1C[C@@H](O)[C@@H](O)C1)c1nc[n-]c(=O)c1Br ZINC001412647398 1001520539 /nfs/dbraw/zinc/52/05/39/1001520539.db2.gz KLEAFJHCHATANB-FPFOFBBKSA-N -1 0 318.127 -0.441 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)c2cnn(C)n2)c1[O-] ZINC001423912263 1001524158 /nfs/dbraw/zinc/52/41/58/1001524158.db2.gz SYONXRNEWPSWFC-RQJHMYQMSA-N -1 0 321.341 -0.511 20 0 DBADRM COc1cccc([C@@H](O)CNC(=O)c2n[nH]c(=O)[n-]c2=O)c1 ZINC001412665164 1001525349 /nfs/dbraw/zinc/52/53/49/1001525349.db2.gz SMGOJRZRGXTAEP-VIFPVBQESA-N -1 0 306.278 -0.245 20 0 DBADRM O=C(NCCc1nc2c(s1)COCC2)c1n[nH]c(=O)[n-]c1=O ZINC001412717975 1001539695 /nfs/dbraw/zinc/53/96/95/1001539695.db2.gz INNDFXMWFJKZTA-UHFFFAOYSA-N -1 0 323.334 -0.216 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)no1 ZINC001412720820 1001540755 /nfs/dbraw/zinc/54/07/55/1001540755.db2.gz DDJJZJGDRNDBEX-SSDOTTSWSA-N -1 0 306.282 -0.006 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001412725094 1001542602 /nfs/dbraw/zinc/54/26/02/1001542602.db2.gz FIFJGAZMDOYOHC-MWLCHTKSSA-N -1 0 302.338 -0.082 20 0 DBADRM O=C(N[C@H]1CNC(=O)C1)c1nc[n-]c(=O)c1Br ZINC001412769378 1001568858 /nfs/dbraw/zinc/56/88/58/1001568858.db2.gz GXMBSPYJGBIDTF-SCSAIBSYSA-N -1 0 301.100 -0.437 20 0 DBADRM CCC[C@@H]1C(=O)NCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412774536 1001570888 /nfs/dbraw/zinc/57/08/88/1001570888.db2.gz NDQAUEJGGJYJSF-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM COC(=O)c1cc(C2CN(C(=O)c3cc(=O)n(C)[n-]3)C2)[nH]n1 ZINC001412779133 1001574859 /nfs/dbraw/zinc/57/48/59/1001574859.db2.gz XOABLQKOYHNCSC-UHFFFAOYSA-N -1 0 305.294 -0.125 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001424125298 1001578329 /nfs/dbraw/zinc/57/83/29/1001578329.db2.gz DNYUNHDGJVIBSB-DTWKUNHWSA-N -1 0 301.322 -0.425 20 0 DBADRM C[C@@H](CN(C)C(=O)C[C@H]1CCCS(=O)(=O)C1)c1nnn[n-]1 ZINC001412790514 1001584425 /nfs/dbraw/zinc/58/44/25/1001584425.db2.gz BTGAFLAYDQYJID-VHSXEESVSA-N -1 0 315.399 -0.024 20 0 DBADRM CCO[C@H](CS(=O)(=O)[N-][C@@](C)(CO)C(=O)OC)C1CC1 ZINC001424195265 1001593525 /nfs/dbraw/zinc/59/35/25/1001593525.db2.gz GBFKRTOPDWCPKA-PWSUYJOCSA-N -1 0 309.384 -0.355 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412812651 1001599433 /nfs/dbraw/zinc/59/94/33/1001599433.db2.gz RZSNBONATAEZJJ-VHSXEESVSA-N -1 0 314.342 -0.220 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C(C)(C)F ZINC001424229804 1001603027 /nfs/dbraw/zinc/60/30/27/1001603027.db2.gz IYGBOOWZUOQPJB-LURJTMIESA-N -1 0 315.305 -0.392 20 0 DBADRM C[C@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC[S@](=O)C1 ZINC001412830172 1001609317 /nfs/dbraw/zinc/60/93/17/1001609317.db2.gz PIEDPFXTGDOZMP-FPVGNUTFSA-N -1 0 316.383 -0.304 20 0 DBADRM CO[C@@](C)(CO)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001424302200 1001618884 /nfs/dbraw/zinc/61/88/84/1001618884.db2.gz CRKQDXXEEYNZPA-SECBINFHSA-N -1 0 300.402 -0.520 20 0 DBADRM COC(=O)NCCC(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001412853618 1001621171 /nfs/dbraw/zinc/62/11/71/1001621171.db2.gz LVBVLLGYNXNGQQ-SSDOTTSWSA-N -1 0 300.344 -0.438 20 0 DBADRM COC(=O)c1c(NC(=O)c2cc(C)ncn2)n[n-]c1OCCO ZINC001412860631 1001624467 /nfs/dbraw/zinc/62/44/67/1001624467.db2.gz YWVRQBHFMGKBSE-UHFFFAOYSA-N -1 0 321.293 -0.082 20 0 DBADRM O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)c1n[nH]c(=O)[n-]1 ZINC001412863233 1001625818 /nfs/dbraw/zinc/62/58/18/1001625818.db2.gz QKKHKBIRSMJEMR-UHFFFAOYSA-N -1 0 315.336 -0.310 20 0 DBADRM COCCC1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001591400901 1016512288 /nfs/dbraw/zinc/51/22/88/1016512288.db2.gz FBIBZKGZSWARIO-UHFFFAOYSA-N -1 0 306.330 -0.609 20 0 DBADRM Cn1nccc1[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001412898335 1001639393 /nfs/dbraw/zinc/63/93/93/1001639393.db2.gz JLRVWSLVKRUJCJ-SECBINFHSA-N -1 0 306.326 -0.171 20 0 DBADRM O=C(C[C@@H]1CCCC[C@H]1O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412902078 1001642410 /nfs/dbraw/zinc/64/24/10/1001642410.db2.gz QVJSTRZNACCGDB-WDEREUQCSA-N -1 0 309.370 -0.049 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)cn1 ZINC001413014774 1001684513 /nfs/dbraw/zinc/68/45/13/1001684513.db2.gz AIJBWMNFSARSFX-URLYPYJESA-N -1 0 311.363 -0.237 20 0 DBADRM O=C(Cc1ccn(CC(F)(F)F)n1)Nn1c(=O)[n-][nH]c1=O ZINC001413025204 1001687226 /nfs/dbraw/zinc/68/72/26/1001687226.db2.gz HQIBQPWWGFIHDD-UHFFFAOYSA-N -1 0 306.204 -0.239 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001591417953 1016518136 /nfs/dbraw/zinc/51/81/36/1016518136.db2.gz ZNOLBMBCLLJPRI-GFCCVEGCSA-N -1 0 307.368 -0.505 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)[C@H]1C ZINC001413037295 1001689442 /nfs/dbraw/zinc/68/94/42/1001689442.db2.gz OYYNSFREDBTAIA-GZMMTYOYSA-N -1 0 321.337 -0.963 20 0 DBADRM CCC(C)(C)C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001495008328 1016518439 /nfs/dbraw/zinc/51/84/39/1016518439.db2.gz ISZYSLFVWYRUCK-QMMMGPOBSA-N -1 0 313.358 -0.254 20 0 DBADRM CCn1c([C@H]2CNC(=O)C2)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001597851296 1017207692 /nfs/dbraw/zinc/20/76/92/1017207692.db2.gz VYNITCPXWSBOIX-OQPBUACISA-N -1 0 311.317 -0.096 20 0 DBADRM O=C(c1c[n-]ncc1=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC001413069689 1001695729 /nfs/dbraw/zinc/69/57/29/1001695729.db2.gz FSYOYSGEPVRKIU-MWLCHTKSSA-N -1 0 313.335 -0.790 20 0 DBADRM CC(C)CSCCCNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001591416237 1016518732 /nfs/dbraw/zinc/51/87/32/1016518732.db2.gz SREPUTJLRMDEDY-UHFFFAOYSA-N -1 0 318.395 -0.460 20 0 DBADRM Cc1nnc(CN(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)o1 ZINC001413266936 1001793747 /nfs/dbraw/zinc/79/37/47/1001793747.db2.gz USICTPYRDNONFL-UHFFFAOYSA-N -1 0 303.282 -0.579 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CCn1cncn1 ZINC001413284681 1001802334 /nfs/dbraw/zinc/80/23/34/1001802334.db2.gz CHKAEUBIWCDQGP-UHFFFAOYSA-N -1 0 300.296 -0.364 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1CCCC12OCCO2 ZINC001413288132 1001803815 /nfs/dbraw/zinc/80/38/15/1001803815.db2.gz VAUPDCKUGCXXMB-JTQLQIEISA-N -1 0 319.321 -0.517 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]CC(F)(F)C(=O)OC ZINC001424829282 1001804183 /nfs/dbraw/zinc/80/41/83/1001804183.db2.gz IYSNKHSWSOMCHQ-UHFFFAOYSA-N -1 0 303.283 -0.333 20 0 DBADRM Cc1nc(CN[C@@H](C)[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001424840210 1001805311 /nfs/dbraw/zinc/80/53/11/1001805311.db2.gz RLHYTBSOVAJJRQ-YUMQZZPRSA-N -1 0 324.341 -0.331 20 0 DBADRM Cc1cc(CN[C@H](C)[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001424845142 1001806116 /nfs/dbraw/zinc/80/61/16/1001806116.db2.gz ZUYQUPWQCHDNSI-BDAKNGLRSA-N -1 0 324.341 -0.331 20 0 DBADRM Cc1cc(CN[C@H](C)[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001424845150 1001806613 /nfs/dbraw/zinc/80/66/13/1001806613.db2.gz ZUYQUPWQCHDNSI-RKDXNWHRSA-N -1 0 324.341 -0.331 20 0 DBADRM COC(=O)C1(CS(=O)(=O)[N-][C@]2(C(=O)OC)CCOC2)CC1 ZINC001413311779 1001810701 /nfs/dbraw/zinc/81/07/01/1001810701.db2.gz WFUXHUYJRXGZIC-GFCCVEGCSA-N -1 0 321.351 -0.809 20 0 DBADRM C[C@H](CNC(=O)C[C@H]1CCN(C)C1=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001424979704 1001820948 /nfs/dbraw/zinc/82/09/48/1001820948.db2.gz JCBPVQKKYZRHIB-NXEZZACHSA-N -1 0 324.385 -0.685 20 0 DBADRM CNC(=O)c1ccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)cn1 ZINC001413347186 1001821625 /nfs/dbraw/zinc/82/16/25/1001821625.db2.gz WISWHVQMTWQQRC-UHFFFAOYSA-N -1 0 303.278 -0.428 20 0 DBADRM CC[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1cc(C(=O)OC)[nH]n1 ZINC001413352891 1001823708 /nfs/dbraw/zinc/82/37/08/1001823708.db2.gz JJKQHMJGGOVBGR-PSASIEDQSA-N -1 0 317.367 -0.022 20 0 DBADRM COCCOCCCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591438357 1016528198 /nfs/dbraw/zinc/52/81/98/1016528198.db2.gz NJMUOZOHFGDSNF-SECBINFHSA-N -1 0 324.345 -0.812 20 0 DBADRM CCNC(=O)C1(C[N-]S(=O)(=O)N=S(C)(C)=O)CCC1 ZINC001413363497 1001826849 /nfs/dbraw/zinc/82/68/49/1001826849.db2.gz UTWBUJPQHPYAIK-UHFFFAOYSA-N -1 0 311.429 -0.145 20 0 DBADRM COCC[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)OC ZINC001413365362 1001827901 /nfs/dbraw/zinc/82/79/01/1001827901.db2.gz IPJALKORVGUWCH-ZETCQYMHSA-N -1 0 302.374 -0.874 20 0 DBADRM COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)C[C@H](CC(C)C)OC ZINC001413367175 1001829000 /nfs/dbraw/zinc/82/90/00/1001829000.db2.gz ZZZVRQLKAGEENI-CMPLNLGQSA-N -1 0 311.400 -0.109 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCS(=O)(=O)C[C@H]1C1CCC1 ZINC001413371728 1001831108 /nfs/dbraw/zinc/83/11/08/1001831108.db2.gz BJOIAJIQOWWXFJ-JTQLQIEISA-N -1 0 319.408 -0.003 20 0 DBADRM Cc1ccsc1[C@@H](CO)NS(=O)(=O)[C@@H]1COC[C@H]1O ZINC001413382463 1001834568 /nfs/dbraw/zinc/83/45/68/1001834568.db2.gz UYJBCOXEBNUADH-OPRDCNLKSA-N -1 0 307.393 -0.231 20 0 DBADRM COCCn1cc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c(C)n1 ZINC001413389375 1001835513 /nfs/dbraw/zinc/83/55/13/1001835513.db2.gz UHNJWWZAACREAD-LLVKDONJSA-N -1 0 321.341 -0.435 20 0 DBADRM COCc1nn(C)cc1C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001413390557 1001835697 /nfs/dbraw/zinc/83/56/97/1001835697.db2.gz XVTRQAQJJUVAEU-SNVBAGLBSA-N -1 0 307.314 -0.707 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)Cc2c[nH]nc21 ZINC001413410090 1001841101 /nfs/dbraw/zinc/84/11/01/1001841101.db2.gz BACPTLHHSFDPCC-MRVPVSSYSA-N -1 0 313.321 -0.060 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC001413417855 1001841556 /nfs/dbraw/zinc/84/15/56/1001841556.db2.gz RKSUNUZPNHYKQC-LDYMZIIASA-N -1 0 320.305 -0.670 20 0 DBADRM COC(=O)C1=NO[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1 ZINC001413417822 1001841571 /nfs/dbraw/zinc/84/15/71/1001841571.db2.gz LCSPXJQWRXWLAC-LLVKDONJSA-N -1 0 314.323 -0.508 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)CC1CCC1 ZINC001433381947 1001843581 /nfs/dbraw/zinc/84/35/81/1001843581.db2.gz GUFDLTHSSDDJQN-SECBINFHSA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1=CCCC1 ZINC001433386312 1001844420 /nfs/dbraw/zinc/84/44/20/1001844420.db2.gz UBTMUEZIMBGRGU-SECBINFHSA-N -1 0 320.349 -0.169 20 0 DBADRM O=C([C@H]1CCC2N=NC(=O)N2C1)N1CCC(c2nnn[n-]2)CC1 ZINC001413430846 1001846330 /nfs/dbraw/zinc/84/63/30/1001846330.db2.gz YCBHBQLWWFEWSW-VIFPVBQESA-N -1 0 318.341 -0.535 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CCC(c3nnn[n-]3)CC2)n1 ZINC001413430593 1001847198 /nfs/dbraw/zinc/84/71/98/1001847198.db2.gz XHTKMHNMWJYFBF-UHFFFAOYSA-N -1 0 315.337 -0.026 20 0 DBADRM CCc1nn(C)cc1C(=O)N(C)C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001425099459 1001847684 /nfs/dbraw/zinc/84/76/84/1001847684.db2.gz MUSOROZGDWXWDF-SECBINFHSA-N -1 0 319.369 -0.009 20 0 DBADRM COC(=O)C1CCC(S(=O)(=O)[N-]c2nnn(C)n2)CC1 ZINC001413431990 1001847884 /nfs/dbraw/zinc/84/78/84/1001847884.db2.gz SOABWZVFRZGEII-UHFFFAOYSA-N -1 0 303.344 -0.316 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)c1cc([O-])cc(F)c1)[C@@H](C)O ZINC001413432628 1001848024 /nfs/dbraw/zinc/84/80/24/1001848024.db2.gz BBDMMMKVVOJUST-LDWIPMOCSA-N -1 0 307.299 -0.268 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCCC(=O)[C@@H]2C)n[nH]1 ZINC001413462386 1001854147 /nfs/dbraw/zinc/85/41/47/1001854147.db2.gz VUQMSUHFTHBWOC-ZETCQYMHSA-N -1 0 301.324 -0.062 20 0 DBADRM O=C1NC[C@@H](O)CC12CCN(S(=O)(=O)c1ncc[n-]1)CC2 ZINC001413461445 1001854192 /nfs/dbraw/zinc/85/41/92/1001854192.db2.gz RQFQCYBXHIZUIN-VIFPVBQESA-N -1 0 314.367 -0.939 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1=CCCC1 ZINC001425167654 1001859790 /nfs/dbraw/zinc/85/97/90/1001859790.db2.gz OZGWQOITSXNHPV-QMMMGPOBSA-N -1 0 321.337 -0.030 20 0 DBADRM COCc1nn(C)cc1C(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001591460665 1016531294 /nfs/dbraw/zinc/53/12/94/1016531294.db2.gz KHXIYQMXUGNRPW-UHFFFAOYSA-N -1 0 303.286 -0.278 20 0 DBADRM COc1cncnc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001433489752 1001864475 /nfs/dbraw/zinc/86/44/75/1001864475.db2.gz OWKOFQIVFVMRQN-UHFFFAOYSA-N -1 0 301.266 -0.492 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(Cc3nn[nH]n3)CC2)O1 ZINC001413507445 1001865283 /nfs/dbraw/zinc/86/52/83/1001865283.db2.gz OVTIUOHGCLZHMT-MNOVXSKESA-N -1 0 323.353 -0.299 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)c1cccs1 ZINC001433508001 1001869324 /nfs/dbraw/zinc/86/93/24/1001869324.db2.gz FYVDTBHBTUPJBE-LURJTMIESA-N -1 0 323.334 -0.107 20 0 DBADRM CNC(=O)CCCC(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001425227577 1001869459 /nfs/dbraw/zinc/86/94/59/1001869459.db2.gz JZLDBMDTGIUXHJ-SECBINFHSA-N -1 0 324.385 -0.637 20 0 DBADRM COCc1nnc(NCCn2cnc(-c3nnn[n-]3)n2)s1 ZINC001591461306 1016532172 /nfs/dbraw/zinc/53/21/72/1016532172.db2.gz FHGJANRGPYGOOJ-UHFFFAOYSA-N -1 0 308.331 -0.432 20 0 DBADRM C[C@H](NC(=O)COCC(F)F)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001425228080 1001870601 /nfs/dbraw/zinc/87/06/01/1001870601.db2.gz MBZCCUVYAAMZET-ZETCQYMHSA-N -1 0 319.312 -0.272 20 0 DBADRM COC[C@H](NC(=O)c1cc(C(=O)OC)ccn1)c1nnn[n-]1 ZINC001413551119 1001878319 /nfs/dbraw/zinc/87/83/19/1001878319.db2.gz GULMUZJQAWSWFJ-VIFPVBQESA-N -1 0 306.282 -0.501 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC001413565623 1001880911 /nfs/dbraw/zinc/88/09/11/1001880911.db2.gz IMRBSTZHKWLGBP-QWRGUYRKSA-N -1 0 324.385 -0.053 20 0 DBADRM O=C(CCn1cnccc1=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001413561138 1001881050 /nfs/dbraw/zinc/88/10/50/1001881050.db2.gz NMLRJCAOEVEITQ-NSHDSACASA-N -1 0 317.353 -0.372 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1)S(C)(=O)=O ZINC001413567583 1001881824 /nfs/dbraw/zinc/88/18/24/1001881824.db2.gz ZCMKCYUHCGXTEX-IUCAKERBSA-N -1 0 301.372 -0.586 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C ZINC001413570757 1001882590 /nfs/dbraw/zinc/88/25/90/1001882590.db2.gz ZVWLPAKODDGNMS-DTWKUNHWSA-N -1 0 300.363 -0.606 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1 ZINC001591466878 1016534014 /nfs/dbraw/zinc/53/40/14/1016534014.db2.gz AZDPCHHRNIUTRH-WDEREUQCSA-N -1 0 316.321 -0.236 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC001413582310 1001885592 /nfs/dbraw/zinc/88/55/92/1001885592.db2.gz MRTMECVLXLFJNI-UHFFFAOYSA-N -1 0 302.356 -0.721 20 0 DBADRM O=C(N[C@@H](CO)C[C@H]1CCCO1)c1c[n-]n2c1nccc2=O ZINC001413583663 1001886224 /nfs/dbraw/zinc/88/62/24/1001886224.db2.gz PISGKRFZIZOZPD-NXEZZACHSA-N -1 0 306.322 -0.318 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC001591467157 1016534513 /nfs/dbraw/zinc/53/45/13/1016534513.db2.gz KKMISTJEIHAPMV-QMMMGPOBSA-N -1 0 320.309 -0.572 20 0 DBADRM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)CCc1nnn[n-]1 ZINC001433593445 1001893924 /nfs/dbraw/zinc/89/39/24/1001893924.db2.gz AGLRGLNPDCVQAJ-IUCAKERBSA-N -1 0 312.399 -0.052 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001413630320 1001894810 /nfs/dbraw/zinc/89/48/10/1001894810.db2.gz GUZZHXDRWYSMAI-VIFPVBQESA-N -1 0 313.383 -0.252 20 0 DBADRM CON(C)C(=O)CNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001591462661 1016536202 /nfs/dbraw/zinc/53/62/02/1016536202.db2.gz LDRHIKLUZSHDEB-UHFFFAOYSA-N -1 0 321.297 -0.975 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)CSc2n[nH]c(=O)[n-]2)CCS1(=O)=O ZINC001413657317 1001899173 /nfs/dbraw/zinc/89/91/73/1001899173.db2.gz RHMAHXMPKXIKNB-RNFRBKRXSA-N -1 0 320.396 -0.316 20 0 DBADRM C[C@H]1C[C@H](NC(=O)CSc2n[nH]c(=O)[n-]2)CCS1(=O)=O ZINC001413657308 1001899708 /nfs/dbraw/zinc/89/97/08/1001899708.db2.gz RHMAHXMPKXIKNB-NKWVEPMBSA-N -1 0 320.396 -0.316 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1cn(C)c(=O)[nH]1)C(=O)[O-] ZINC001591463561 1016536889 /nfs/dbraw/zinc/53/68/89/1016536889.db2.gz SJAZHFSDUXLZBV-QMMMGPOBSA-N -1 0 312.326 -0.529 20 0 DBADRM CO[N-]C(=O)CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC001591467110 1016536905 /nfs/dbraw/zinc/53/69/05/1016536905.db2.gz JCYOKOZCGANJOI-UHFFFAOYSA-N -1 0 322.350 -0.247 20 0 DBADRM CO[N-]C(=O)CNC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC001591467412 1016537540 /nfs/dbraw/zinc/53/75/40/1016537540.db2.gz NSXBIPVCNCFVQT-SREVYHEPSA-N -1 0 302.294 -0.326 20 0 DBADRM CCCC(=O)N[C@H](C)C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001413680652 1001921863 /nfs/dbraw/zinc/92/18/63/1001921863.db2.gz USKDWMMDRNGTMP-BDAKNGLRSA-N -1 0 313.358 -0.111 20 0 DBADRM CCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001413680675 1001924992 /nfs/dbraw/zinc/92/49/92/1001924992.db2.gz USKDWMMDRNGTMP-RKDXNWHRSA-N -1 0 313.358 -0.111 20 0 DBADRM CNC(=O)CCN(C)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001433661580 1001927388 /nfs/dbraw/zinc/92/73/88/1001927388.db2.gz ZYWYRRTZAMWSRA-UHFFFAOYSA-N -1 0 319.321 -0.526 20 0 DBADRM COc1c(-c2nnn[n-]2)ccc(=O)n1C[C@H](O)COC(C)C ZINC001591473653 1016540939 /nfs/dbraw/zinc/54/09/39/1016540939.db2.gz LRNOGNFWBWFXFJ-VIFPVBQESA-N -1 0 309.326 -0.177 20 0 DBADRM CC(C)N(C[C@H](O)CO)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001591573530 1016549920 /nfs/dbraw/zinc/54/99/20/1016549920.db2.gz KIQHFLMJZKTMQS-ZETCQYMHSA-N -1 0 308.312 -0.875 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)CC(F)(F)F)c1[O-] ZINC001425320522 1001950496 /nfs/dbraw/zinc/95/04/96/1001950496.db2.gz PLSUAYVBFWIAJF-LURJTMIESA-N -1 0 324.259 -0.417 20 0 DBADRM COc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1nnn[n-]1 ZINC001591482396 1016542087 /nfs/dbraw/zinc/54/20/87/1016542087.db2.gz JNAAYHIKFAMGRI-UHFFFAOYSA-N -1 0 301.270 -0.682 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001433710739 1001985025 /nfs/dbraw/zinc/98/50/25/1001985025.db2.gz ANUPDWMYJGGPBF-RQJHMYQMSA-N -1 0 320.396 -0.364 20 0 DBADRM C[C@@H](CC[S@](C)=O)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001433732913 1002001276 /nfs/dbraw/zinc/00/12/76/1002001276.db2.gz KGKZRAMZYHDFEO-FHZGZLOMSA-N -1 0 304.372 -0.257 20 0 DBADRM CC(C)N(CCC(=O)[O-])S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001591589574 1016553101 /nfs/dbraw/zinc/55/31/01/1016553101.db2.gz RIAFKYHFJWJCAK-GOSISDBHSA-N -1 0 315.417 -0.009 20 0 DBADRM CC(C)N(CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1cn[nH]n1 ZINC001591591322 1016553552 /nfs/dbraw/zinc/55/35/52/1016553552.db2.gz STHMBODDPPEKDR-ZJUUUORDSA-N -1 0 323.353 -0.166 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)Cn2ccnc2)c1[O-] ZINC001433751812 1002011582 /nfs/dbraw/zinc/01/15/82/1002011582.db2.gz FLBOSJPBKIOMSO-SNVBAGLBSA-N -1 0 318.337 -0.349 20 0 DBADRM CC(C)N1C[C@@H](n2nnnc2N2CC[C@@H](C(=O)[O-])C2)CC1=O ZINC001591610434 1016554921 /nfs/dbraw/zinc/55/49/21/1016554921.db2.gz DIFHBEWCWSOXNS-ZJUUUORDSA-N -1 0 308.342 -0.234 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)C[C@H]1C(=O)OC ZINC001413794210 1002013590 /nfs/dbraw/zinc/01/35/90/1002013590.db2.gz RJQVEFNIYDPQFL-HTQZYQBOSA-N -1 0 311.294 -0.840 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001591641256 1016555848 /nfs/dbraw/zinc/55/58/48/1016555848.db2.gz OPIIYDQIJYQJBI-SECBINFHSA-N -1 0 321.324 -0.236 20 0 DBADRM Cn1cc(C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)cn1 ZINC001433768339 1002023020 /nfs/dbraw/zinc/02/30/20/1002023020.db2.gz CKWHMTFKMUYMSS-SECBINFHSA-N -1 0 306.326 -0.486 20 0 DBADRM O=C(NC[C@H](O)C1CC1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001433783113 1002025846 /nfs/dbraw/zinc/02/58/46/1002025846.db2.gz PJHKBTPGISIEEH-NSHDSACASA-N -1 0 304.306 -0.233 20 0 DBADRM CCCCC(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433779165 1002026515 /nfs/dbraw/zinc/02/65/15/1002026515.db2.gz QKABUJRGCBLZFX-QMMMGPOBSA-N -1 0 309.326 -0.196 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001591641271 1016557010 /nfs/dbraw/zinc/55/70/10/1016557010.db2.gz PSUJVDWWKPUARQ-QWRGUYRKSA-N -1 0 315.370 -0.857 20 0 DBADRM CC(C)N1CC[C@@H](N2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)C1=O ZINC001591617310 1016557200 /nfs/dbraw/zinc/55/72/00/1016557200.db2.gz AFTCSOGKUCXPKQ-ZYUZMQFOSA-N -1 0 309.322 -0.363 20 0 DBADRM CC(C)NC(=O)CN(C)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001591641278 1016557520 /nfs/dbraw/zinc/55/75/20/1016557520.db2.gz QAZZZKXLVYPYNV-UHFFFAOYSA-N -1 0 309.322 -0.471 20 0 DBADRM CC(C)NC(=O)CN1CCN(c2nccc(C(=O)[O-])n2)CC1 ZINC001591644741 1016557746 /nfs/dbraw/zinc/55/77/46/1016557746.db2.gz FPORZTIBRSDRFC-UHFFFAOYSA-N -1 0 307.354 -0.179 20 0 DBADRM CCn1c([C@@H]2CNC(=O)C2)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001597851297 1017209233 /nfs/dbraw/zinc/20/92/33/1017209233.db2.gz VYNITCPXWSBOIX-SDBXPKJASA-N -1 0 311.317 -0.096 20 0 DBADRM CC(C)NC(=O)CN1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001591645008 1016558330 /nfs/dbraw/zinc/55/83/30/1016558330.db2.gz MSTSMWWTSFJBRA-UHFFFAOYSA-N -1 0 307.354 -0.179 20 0 DBADRM CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001591647441 1016559179 /nfs/dbraw/zinc/55/91/79/1016559179.db2.gz MVXZRGBJOOKMRN-XHNCKOQMSA-N -1 0 316.310 -0.216 20 0 DBADRM COc1nc(C)nc(NCCn2cnc(-c3nnn[n-]3)n2)c1C ZINC001591662219 1016559395 /nfs/dbraw/zinc/55/93/95/1016559395.db2.gz DLKWALXBXAUZAY-UHFFFAOYSA-N -1 0 316.329 -0.014 20 0 DBADRM O=C(CCc1ccsc1)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001425398498 1002047374 /nfs/dbraw/zinc/04/73/74/1002047374.db2.gz AAHWAACLZWIQAW-JTQLQIEISA-N -1 0 323.378 -0.294 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001591661827 1016560971 /nfs/dbraw/zinc/56/09/71/1016560971.db2.gz XHOXKYNKYUHKKK-UHFFFAOYSA-N -1 0 318.355 -0.975 20 0 DBADRM CC(C)NC(=O)CN1CCC2(CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)C1 ZINC001591645170 1016561240 /nfs/dbraw/zinc/56/12/40/1016561240.db2.gz NZDYANBQNNVCHO-NWDGAFQWSA-N -1 0 323.393 -0.234 20 0 DBADRM O=C(Cc1ccn(CC(F)(F)F)n1)NCc1nc(=O)o[n-]1 ZINC001433832983 1002058569 /nfs/dbraw/zinc/05/85/69/1002058569.db2.gz NAVUGOWWWZNNSP-UHFFFAOYSA-N -1 0 305.216 -0.019 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)NC1CC(CC(=O)[O-])C1 ZINC001591661409 1016561712 /nfs/dbraw/zinc/56/17/12/1016561712.db2.gz LVZOXLIPKAXSFN-UHFFFAOYSA-N -1 0 321.399 -0.133 20 0 DBADRM COC(=O)CCN1CCN(C(=O)CCc2nnn[n-]2)C[C@@H]1C ZINC001433852789 1002071472 /nfs/dbraw/zinc/07/14/72/1002071472.db2.gz BXDIFWZBDMFNSE-JTQLQIEISA-N -1 0 310.358 -0.772 20 0 DBADRM COc1nscc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001591671062 1016564457 /nfs/dbraw/zinc/56/44/57/1016564457.db2.gz NNWWHDZXDVKOMZ-UHFFFAOYSA-N -1 0 307.299 -0.438 20 0 DBADRM C[C@H](O)[C@@H]1CCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001433856862 1002072730 /nfs/dbraw/zinc/07/27/30/1002072730.db2.gz RLXPCAOWBDYHEW-ONGXEEELSA-N -1 0 305.338 -0.167 20 0 DBADRM COc1nnccc1NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591670308 1016565133 /nfs/dbraw/zinc/56/51/33/1016565133.db2.gz FGOUKWXKFRVWNG-ZCFIWIBFSA-N -1 0 316.285 -0.544 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001591673227 1016565665 /nfs/dbraw/zinc/56/56/65/1016565665.db2.gz NYTGBDIWQLZSKN-SECBINFHSA-N -1 0 323.382 -0.082 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3cnn(C)n3)CC2)c1[O-] ZINC001433871899 1002084454 /nfs/dbraw/zinc/08/44/54/1002084454.db2.gz TXAFKAYPZKANNW-UHFFFAOYSA-N -1 0 319.325 -0.755 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001591676008 1016567849 /nfs/dbraw/zinc/56/78/49/1016567849.db2.gz PDEBMIDYIVGDJW-NXEZZACHSA-N -1 0 314.338 -0.234 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001433943337 1002129716 /nfs/dbraw/zinc/12/97/16/1002129716.db2.gz NXUOBSVCWGJRTO-BDAKNGLRSA-N -1 0 310.358 -0.091 20 0 DBADRM CS[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001591693638 1016572888 /nfs/dbraw/zinc/57/28/88/1016572888.db2.gz NZFHEPFSBYCGEA-LURJTMIESA-N -1 0 309.355 -0.805 20 0 DBADRM CC(C)O[C@]1(CS(=O)(=O)N[C@@H](CF)C(=O)[O-])CCOC1 ZINC001591694719 1016573064 /nfs/dbraw/zinc/57/30/64/1016573064.db2.gz ANZBYPMRZUSIRI-GXSJLCMTSA-N -1 0 313.347 -0.087 20 0 DBADRM Nc1nc(C2CC2)nc(N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001414030626 1002138762 /nfs/dbraw/zinc/13/87/62/1002138762.db2.gz CKSRCZRNXULAGZ-UHFFFAOYSA-N -1 0 317.357 -0.523 20 0 DBADRM CCC(CC)(NC(=O)CCn1cnccc1=O)c1nnn[n-]1 ZINC001433968929 1002141906 /nfs/dbraw/zinc/14/19/06/1002141906.db2.gz OMLAXOLNJWYIQC-UHFFFAOYSA-N -1 0 305.342 -0.022 20 0 DBADRM Cn1nccc1[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCO1 ZINC001433993946 1002156273 /nfs/dbraw/zinc/15/62/73/1002156273.db2.gz PVAUDJVZILKKQM-WCBMZHEXSA-N -1 0 322.325 -0.541 20 0 DBADRM COC[C@]1(CO)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001433996095 1002158369 /nfs/dbraw/zinc/15/83/69/1002158369.db2.gz RHPMCKBPIUKCEQ-CYBMUJFWSA-N -1 0 314.342 -0.673 20 0 DBADRM CC(C)O[C@@]1(CS(=O)(=O)NC[C@H](F)C(=O)[O-])CCOC1 ZINC001591697204 1016578507 /nfs/dbraw/zinc/57/85/07/1016578507.db2.gz WXFGIWJTYUMOII-ONGXEEELSA-N -1 0 313.347 -0.087 20 0 DBADRM CCCN(CC(N)=O)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001434034172 1002183565 /nfs/dbraw/zinc/18/35/65/1002183565.db2.gz XHDUGWKFJXBPDV-UHFFFAOYSA-N -1 0 303.326 -0.588 20 0 DBADRM C[C@@]1(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)CCC(=O)N1 ZINC001434059041 1002208863 /nfs/dbraw/zinc/20/88/63/1002208863.db2.gz IUKDTOJULNWEKJ-AWEZNQCLSA-N -1 0 315.337 -0.527 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccsc1-c1nnn[n-]1)C(N)=O ZINC001591771107 1016586974 /nfs/dbraw/zinc/58/69/74/1016586974.db2.gz XEMLUIBYSGDVIJ-BYPYZUCNSA-N -1 0 302.341 -0.920 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CCC2(O)CCC2)c(=O)n1C ZINC001591793831 1016590765 /nfs/dbraw/zinc/59/07/65/1016590765.db2.gz KTWKHBWSQJAAMO-UHFFFAOYSA-N -1 0 306.326 -0.659 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC(=O)OC(C)(C)C ZINC001414214690 1002254814 /nfs/dbraw/zinc/25/48/14/1002254814.db2.gz NXQUPPJFPFDKMC-GOSISDBHSA-N -1 0 315.417 -0.263 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2nocc2C)CCOC1 ZINC001414222408 1002258647 /nfs/dbraw/zinc/25/86/47/1002258647.db2.gz JSRRGSPOVKLMOS-LLVKDONJSA-N -1 0 304.324 -0.265 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CCOC(C)(C)C)c(=O)n1C ZINC001591793571 1016592879 /nfs/dbraw/zinc/59/28/79/1016592879.db2.gz CBAPWGWPZZQERZ-UHFFFAOYSA-N -1 0 308.342 -0.149 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc([O-])cc(F)c1)C(=O)OC ZINC001414229383 1002265204 /nfs/dbraw/zinc/26/52/04/1002265204.db2.gz MLRHZDDKVMHXRG-JTQLQIEISA-N -1 0 307.299 -0.002 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(C[C@@H]2CCO[C@@H]2C)c(=O)n1C ZINC001591793787 1016593400 /nfs/dbraw/zinc/59/34/00/1016593400.db2.gz JBTNIBBYYJIVMD-BDAKNGLRSA-N -1 0 306.326 -0.539 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC(=O)C(C)(C)C)c(=O)n1C ZINC001591794875 1016597059 /nfs/dbraw/zinc/59/70/59/1016597059.db2.gz QVABBSSBIFHDBH-UHFFFAOYSA-N -1 0 306.326 -0.349 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001591820631 1016596916 /nfs/dbraw/zinc/59/69/16/1016596916.db2.gz OANHAWUEBMWXGH-GFCCVEGCSA-N -1 0 317.367 -0.334 20 0 DBADRM C[C@]12CSC[C@H]1CN(C(=O)Cn1cnc(-c3nnn[n-]3)n1)C2 ZINC001591779867 1016594016 /nfs/dbraw/zinc/59/40/16/1016594016.db2.gz AKKXNQCMXRXHOY-PELKAZGASA-N -1 0 320.382 -0.330 20 0 DBADRM CCC(=O)N[C@H]1CC[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001425679177 1002280837 /nfs/dbraw/zinc/28/08/37/1002280837.db2.gz CEQUDQWTDAUOKP-BDAKNGLRSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001414246589 1002280750 /nfs/dbraw/zinc/28/07/50/1002280750.db2.gz GAHRMVQWHIZQHK-IUCAKERBSA-N -1 0 309.413 -0.393 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC2OCCO2)c(=O)n1C1CC1 ZINC001591794072 1016595745 /nfs/dbraw/zinc/59/57/45/1016595745.db2.gz XGAYFSQLRSMUJI-UHFFFAOYSA-N -1 0 320.309 -0.794 20 0 DBADRM CC(C)S(=O)(=O)CCNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001591820619 1016595828 /nfs/dbraw/zinc/59/58/28/1016595828.db2.gz NLHTWQNFMZDPAG-UWVGGRQHSA-N -1 0 322.383 -0.307 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001591820604 1016596240 /nfs/dbraw/zinc/59/62/40/1016596240.db2.gz NJQGLVPEGLGMCI-UWVGGRQHSA-N -1 0 307.368 -0.052 20 0 DBADRM CC(C)[C@@H](CCNC(=O)C(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001591831764 1016596461 /nfs/dbraw/zinc/59/64/61/1016596461.db2.gz YVHQKHCSDFWTHC-SECBINFHSA-N -1 0 309.326 -0.397 20 0 DBADRM C[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)C1(S(C)(=O)=O)CC1 ZINC001414259414 1002290766 /nfs/dbraw/zinc/29/07/66/1002290766.db2.gz VPYPLIGMOGRTNA-SSDOTTSWSA-N -1 0 318.442 -0.486 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(Cn2cc(Cl)cn2)c(=O)n1C ZINC001591795408 1016599064 /nfs/dbraw/zinc/59/90/64/1016599064.db2.gz QQGXGXKCIRQYTI-UHFFFAOYSA-N -1 0 322.716 -0.609 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)C(C)(C)C(N)=O)n[nH]1 ZINC001414270936 1002300761 /nfs/dbraw/zinc/30/07/61/1002300761.db2.gz PLGQXWLUMDYPIY-UHFFFAOYSA-N -1 0 304.328 -0.919 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)n(CC(=O)NC2CCOCC2)c1 ZINC001591836348 1016600167 /nfs/dbraw/zinc/60/01/67/1016600167.db2.gz OESSGUQNRFKGHG-UHFFFAOYSA-N -1 0 318.337 -0.368 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NC1([C@@H](C)O)CC1 ZINC001591834708 1016600253 /nfs/dbraw/zinc/60/02/53/1016600253.db2.gz OHPWVHZKTCONJZ-SSDOTTSWSA-N -1 0 304.310 -0.081 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)c1ccnn1C ZINC001414290463 1002306999 /nfs/dbraw/zinc/30/69/99/1002306999.db2.gz FEQQZGNZIHGCBU-QMMMGPOBSA-N -1 0 324.384 -0.804 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CN(C)C(=O)[C@@H]1C ZINC001591834608 1016600548 /nfs/dbraw/zinc/60/05/48/1016600548.db2.gz HJEREDGNPFMWHB-ZETCQYMHSA-N -1 0 317.309 -0.464 20 0 DBADRM Cc1nc(C)c(CC(=O)NN2CCS(=O)(=O)CC2)c(=O)[nH]1 ZINC001434186051 1002309956 /nfs/dbraw/zinc/30/99/56/1002309956.db2.gz CAYOUMARGACUQG-UHFFFAOYSA-N -1 0 314.367 -0.897 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCc1cc[nH]n1 ZINC001591835852 1016600869 /nfs/dbraw/zinc/60/08/69/1016600869.db2.gz WPEDTVPLGZUVLT-UHFFFAOYSA-N -1 0 300.282 -0.071 20 0 DBADRM CC(C)[C@@H](O)C(=O)NC[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001591845804 1016600983 /nfs/dbraw/zinc/60/09/83/1016600983.db2.gz APJZAGVTUYASBH-CKYFFXLPSA-N -1 0 322.365 -0.080 20 0 DBADRM COC(=O)[C@H](CCF)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001414302173 1002313231 /nfs/dbraw/zinc/31/32/31/1002313231.db2.gz TTZIQQKTZDGLOR-QMMMGPOBSA-N -1 0 316.376 -0.016 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCc1cncn1C ZINC001591835883 1016601285 /nfs/dbraw/zinc/60/12/85/1016601285.db2.gz YOJIZULTNLHKJT-UHFFFAOYSA-N -1 0 314.309 -0.061 20 0 DBADRM CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001591853862 1016601707 /nfs/dbraw/zinc/60/17/07/1016601707.db2.gz SPQUBTOXBKZBJD-FEUHOPSXSA-N -1 0 323.349 -0.021 20 0 DBADRM C[C@H]1CC[C@H](NS(=O)(=O)c2nncn2C)CS1(=O)=O ZINC001414309752 1002316750 /nfs/dbraw/zinc/31/67/50/1002316750.db2.gz QGIPBCHEWCSOGO-YUMQZZPRSA-N -1 0 308.385 -0.941 20 0 DBADRM CSCC[C@H](NC(=O)[C@@H](O)c1cnn(C)c1)c1nnn[n-]1 ZINC001434201105 1002316996 /nfs/dbraw/zinc/31/69/96/1002316996.db2.gz ONYHAJAHZPUFCG-IUCAKERBSA-N -1 0 311.371 -0.423 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cc(OC)ns1 ZINC001414310461 1002317151 /nfs/dbraw/zinc/31/71/51/1002317151.db2.gz UDHFMDFDSADQHK-IMTBSYHQSA-N -1 0 322.364 -0.240 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001434220627 1002327924 /nfs/dbraw/zinc/32/79/24/1002327924.db2.gz NENUHKAPKGRQRN-MGCOHNPYSA-N -1 0 316.321 -0.244 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CC1N=NC(=O)N1C ZINC001414326186 1002328545 /nfs/dbraw/zinc/32/85/45/1002328545.db2.gz BMUMNKJCAAKPRQ-UHFFFAOYSA-N -1 0 316.295 -0.621 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC(CO)(CO)CC1)C(=O)[O-] ZINC001591865895 1016603909 /nfs/dbraw/zinc/60/39/09/1016603909.db2.gz DQLVEHMCPBSRCY-LBPRGKRZSA-N -1 0 302.371 -0.721 20 0 DBADRM C[C@H](O)[C@@H](O)CNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001434237796 1002336713 /nfs/dbraw/zinc/33/67/13/1002336713.db2.gz ANRMKVMDHYKYFR-XPUUQOCRSA-N -1 0 324.255 -0.070 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC[C@@H](CO)[C@H]1CO)C(=O)[O-] ZINC001591871179 1016605282 /nfs/dbraw/zinc/60/52/82/1016605282.db2.gz VUYLUFDVLPKZSU-LOWVWBTDSA-N -1 0 302.371 -0.723 20 0 DBADRM Cn1nc(C2CCOCC2)cc1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001434249360 1002345440 /nfs/dbraw/zinc/34/54/40/1002345440.db2.gz WGAJGQOOTYJNNG-UHFFFAOYSA-N -1 0 322.325 -0.045 20 0 DBADRM NS(=O)(=O)NC1CN(C(=O)c2cccc(Cl)c2[O-])C1 ZINC001434254720 1002347421 /nfs/dbraw/zinc/34/74/21/1002347421.db2.gz QGHIKNPXBCDKIT-UHFFFAOYSA-N -1 0 305.743 -0.337 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001434273542 1002349061 /nfs/dbraw/zinc/34/90/61/1002349061.db2.gz ATJHSICORYUVEY-GHMZBOCLSA-N -1 0 320.305 -0.660 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](C)c1nnnn1C ZINC001414372225 1002354686 /nfs/dbraw/zinc/35/46/86/1002354686.db2.gz WBBFTRUPCNPKHL-ZETCQYMHSA-N -1 0 310.405 -0.387 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001434301699 1002361678 /nfs/dbraw/zinc/36/16/78/1002361678.db2.gz PIMYIXQGFOGSQV-JTQLQIEISA-N -1 0 310.358 -0.961 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)Cn2cnc(N)n2)C1 ZINC001434299557 1002362979 /nfs/dbraw/zinc/36/29/79/1002362979.db2.gz INMVIAMDQYZLSG-SNVBAGLBSA-N -1 0 320.275 -0.470 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC001425747233 1002369476 /nfs/dbraw/zinc/36/94/76/1002369476.db2.gz DDTJSWOMVJTEMJ-JTQLQIEISA-N -1 0 305.346 -0.350 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCS(=O)(=O)C[C@@H]2C)n1 ZINC001591887600 1016610799 /nfs/dbraw/zinc/61/07/99/1016610799.db2.gz BGULBXXITXVWCT-QMMMGPOBSA-N -1 0 309.355 -0.412 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCN(Cc2ccno2)CC1 ZINC001434314528 1002372170 /nfs/dbraw/zinc/37/21/70/1002372170.db2.gz KWQWIBVLRPHGQY-UHFFFAOYSA-N -1 0 305.342 -0.145 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001434314171 1002372689 /nfs/dbraw/zinc/37/26/89/1002372689.db2.gz FOGIQRURVDKFHO-JTQLQIEISA-N -1 0 305.342 -0.055 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001434314197 1002374004 /nfs/dbraw/zinc/37/40/04/1002374004.db2.gz GJXFDTMKRIULSZ-SECBINFHSA-N -1 0 301.372 -0.270 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC001414445343 1002374198 /nfs/dbraw/zinc/37/41/98/1002374198.db2.gz BTRQYGMUTSXOSI-SNVBAGLBSA-N -1 0 323.357 -0.984 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CC[C@H](c3nnn[n-]3)C2)CCCC1 ZINC001434314486 1002374261 /nfs/dbraw/zinc/37/42/61/1002374261.db2.gz KBHANHRLFKCGHL-VIFPVBQESA-N -1 0 313.383 -0.127 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@]1(CO)CCOc2ccccc21 ZINC001414445925 1002374592 /nfs/dbraw/zinc/37/45/92/1002374592.db2.gz IAERIGRYLIXRCS-CQSZACIVSA-N -1 0 318.337 -0.093 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N[C@H]2CCCS(=O)(=O)C2)n1 ZINC001591893699 1016611513 /nfs/dbraw/zinc/61/15/13/1016611513.db2.gz HLZOTJJDBUULKX-QMMMGPOBSA-N -1 0 309.355 -0.046 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCc2c(cccc2C(N)=O)C1 ZINC001414447723 1002377009 /nfs/dbraw/zinc/37/70/09/1002377009.db2.gz VJXQLLAWIRYLEZ-UHFFFAOYSA-N -1 0 315.337 -0.196 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](C)C(=O)NCc1ccccc1 ZINC001414447074 1002377127 /nfs/dbraw/zinc/37/71/27/1002377127.db2.gz JTTVKLUTTSFTSF-SNVBAGLBSA-N -1 0 317.353 -0.059 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001591894307 1016612311 /nfs/dbraw/zinc/61/23/11/1016612311.db2.gz GXYYHBPHLOGLEA-AEJSXWLSSA-N -1 0 301.343 -0.467 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](CS(N)(=O)=O)C2)n1 ZINC001591886173 1016612904 /nfs/dbraw/zinc/61/29/04/1016612904.db2.gz HKYZJHKQZBRGGN-MRVPVSSYSA-N -1 0 324.370 -0.920 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CCC(Cc3nn[nH]n3)CC2)CC1 ZINC001434345183 1002401309 /nfs/dbraw/zinc/40/13/09/1002401309.db2.gz KISQTXCCTSNDKN-UHFFFAOYSA-N -1 0 313.383 -0.442 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCC(Cc3nn[nH]n3)CC2)nn1 ZINC001434344680 1002402415 /nfs/dbraw/zinc/40/24/15/1002402415.db2.gz HXSNGKCVMZCBCI-SECBINFHSA-N -1 0 320.357 -0.674 20 0 DBADRM COCC(=O)N(C)CC(=O)N1CCC(Cc2nn[nH]n2)CC1 ZINC001434346378 1002405073 /nfs/dbraw/zinc/40/50/73/1002405073.db2.gz RXCYTNRQANNWCB-UHFFFAOYSA-N -1 0 310.358 -0.914 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCS(=O)(=O)C(F)(F)F ZINC001425770615 1002406046 /nfs/dbraw/zinc/40/60/46/1002406046.db2.gz ZMUTZOLJIXKTPM-UHFFFAOYSA-N -1 0 316.265 -0.829 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1cccc(C(=O)NC)c1 ZINC001425770819 1002406812 /nfs/dbraw/zinc/40/68/12/1002406812.db2.gz ZQNKWIYIGIWPFC-UHFFFAOYSA-N -1 0 303.326 -0.204 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001591905212 1016616540 /nfs/dbraw/zinc/61/65/40/1016616540.db2.gz ATTSPQQCOVOADE-GZMMTYOYSA-N -1 0 310.347 -0.415 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[C@H](NC(=O)c3cc(=O)n(C)[n-]3)C2)n1 ZINC001434364444 1002415545 /nfs/dbraw/zinc/41/55/45/1002415545.db2.gz HXUPNQPXOLEOGR-VIFPVBQESA-N -1 0 318.337 -0.062 20 0 DBADRM NC(=O)Cc1occc1C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001434363760 1002417481 /nfs/dbraw/zinc/41/74/81/1002417481.db2.gz DNVIXAGEYXWHRV-SECBINFHSA-N -1 0 318.337 -0.085 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)c1nnn[n-]1 ZINC001434365092 1002419736 /nfs/dbraw/zinc/41/97/36/1002419736.db2.gz WKIBVYFCOIMAAR-RKDXNWHRSA-N -1 0 310.358 -0.350 20 0 DBADRM Cn1ccnc1COCC(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001434364560 1002419816 /nfs/dbraw/zinc/41/98/16/1002419816.db2.gz IONUAFOKVOJUGW-NSHDSACASA-N -1 0 319.369 -0.069 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC[C@@H](C2OCCO2)C1 ZINC001434371217 1002425897 /nfs/dbraw/zinc/42/58/97/1002425897.db2.gz LBEKPJKWBFVDDR-SECBINFHSA-N -1 0 304.306 -0.142 20 0 DBADRM CC(C)OC(=O)C1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001434372578 1002428716 /nfs/dbraw/zinc/42/87/16/1002428716.db2.gz PCZLXTJRMQCFAP-UHFFFAOYSA-N -1 0 312.326 -0.121 20 0 DBADRM Cc1cc(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)on1 ZINC001591969607 1016620513 /nfs/dbraw/zinc/62/05/13/1016620513.db2.gz GRPWWUGRQLLPIN-UHFFFAOYSA-N -1 0 318.297 -0.827 20 0 DBADRM CC(C)c1cc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])nn1C ZINC001591925551 1016620818 /nfs/dbraw/zinc/62/08/18/1016620818.db2.gz AXONPMHXLXDTKO-NSHDSACASA-N -1 0 308.338 -0.089 20 0 DBADRM Cc1cc(C)nc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)c1 ZINC001591957006 1016621749 /nfs/dbraw/zinc/62/17/49/1016621749.db2.gz VAFULHFAHACHSG-UHFFFAOYSA-N -1 0 313.321 -0.213 20 0 DBADRM CO[C@]1(C(=O)N[C@@H](C)c2nn(C)cc2[O-])CCS(=O)(=O)C1 ZINC001434407665 1002454655 /nfs/dbraw/zinc/45/46/55/1002454655.db2.gz PJCGHGBCVHHCBN-QPUJVOFHSA-N -1 0 317.367 -0.493 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](O)[C@H](F)C2)c1 ZINC001434412904 1002458211 /nfs/dbraw/zinc/45/82/11/1002458211.db2.gz BRDOHXPRFVLICX-MWLCHTKSSA-N -1 0 318.326 -0.416 20 0 DBADRM Cn1nccc1CN1CCN(C(=O)c2c[n-]ncc2=O)CC1 ZINC001434417382 1002459544 /nfs/dbraw/zinc/45/95/44/1002459544.db2.gz JXRDKEAWSNPEDA-UHFFFAOYSA-N -1 0 302.338 -0.126 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(c2[nH]nc3c2COCC3)C1 ZINC001434417512 1002461802 /nfs/dbraw/zinc/46/18/02/1002461802.db2.gz MDRZUEXKSGFLBZ-UHFFFAOYSA-N -1 0 320.309 -0.889 20 0 DBADRM CN1CC[C@@H](NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC001414618417 1002461944 /nfs/dbraw/zinc/46/19/44/1002461944.db2.gz NZZDYPIPBXTUPT-RKDXNWHRSA-N -1 0 308.342 -0.370 20 0 DBADRM CN1CC[C@H](NC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC001414618415 1002462495 /nfs/dbraw/zinc/46/24/95/1002462495.db2.gz NZZDYPIPBXTUPT-IUCAKERBSA-N -1 0 308.342 -0.370 20 0 DBADRM COCCn1nc(C(=O)N(C)Cc2n[n-]c(=O)o2)ccc1=O ZINC001434435792 1002472427 /nfs/dbraw/zinc/47/24/27/1002472427.db2.gz BAAMULRFNPTFEH-UHFFFAOYSA-N -1 0 309.282 -0.750 20 0 DBADRM Cn1nncc1CNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001414649831 1002478971 /nfs/dbraw/zinc/47/89/71/1002478971.db2.gz KACAUHIAWVDXLA-MRVPVSSYSA-N -1 0 306.330 -0.272 20 0 DBADRM Nc1nc2nc(CN3CCS[C@H]4COCC[C@H]43)cc(=O)n2[n-]1 ZINC001434462680 1002482283 /nfs/dbraw/zinc/48/22/83/1002482283.db2.gz MNROJQRBKAWRED-ZJUUUORDSA-N -1 0 322.394 -0.294 20 0 DBADRM CC(C)c1noc(CCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC001592095822 1016627616 /nfs/dbraw/zinc/62/76/16/1016627616.db2.gz XNWXJIQLQHEUHE-VIFPVBQESA-N -1 0 324.337 -0.215 20 0 DBADRM O=S1(=O)[N-]C(CN2C[C@H](O)[C@@H](CO)C2)=Nc2ccccc21 ZINC001434472793 1002488145 /nfs/dbraw/zinc/48/81/45/1002488145.db2.gz OROPBQUEPINPHG-KOLCDFICSA-N -1 0 311.363 -0.707 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@H](C)C(=O)[O-])ccc1-c1nn[nH]n1 ZINC001592066027 1016628346 /nfs/dbraw/zinc/62/83/46/1016628346.db2.gz MYTNWQZGNDLIQB-ZETCQYMHSA-N -1 0 311.323 -0.073 20 0 DBADRM O=c1cc(CNC(CO)(CO)C(F)(F)F)nc2cc[n-]n21 ZINC001434481375 1002493142 /nfs/dbraw/zinc/49/31/42/1002493142.db2.gz UXVSBBQLALQVNY-UHFFFAOYSA-N -1 0 306.244 -0.602 20 0 DBADRM Cc1ccc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)cn1 ZINC001592166397 1016631269 /nfs/dbraw/zinc/63/12/69/1016631269.db2.gz KMZBYCYNHCEOHL-UHFFFAOYSA-N -1 0 314.309 -0.018 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CCCCNC1=O ZINC001434546778 1002517266 /nfs/dbraw/zinc/51/72/66/1002517266.db2.gz VXCXUDZEFMISKC-SECBINFHSA-N -1 0 311.429 -0.003 20 0 DBADRM CC(C)n1nnnc1N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001592171475 1016631859 /nfs/dbraw/zinc/63/18/59/1016631859.db2.gz GZWLVCXDUVDBLB-ZDUSSCGKSA-N -1 0 310.358 -0.380 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1cc(S(N)(=O)=O)cn1C ZINC001592206983 1016634920 /nfs/dbraw/zinc/63/49/20/1016634920.db2.gz XHWAODHPSQICPR-KGGZQZJCSA-N -1 0 301.324 -0.568 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CCCS1(=O)=O ZINC001434568698 1002535204 /nfs/dbraw/zinc/53/52/04/1002535204.db2.gz OEHUVGSYAWSBMO-ZETCQYMHSA-N -1 0 304.415 -0.874 20 0 DBADRM Cc1ccnc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001592273417 1016640902 /nfs/dbraw/zinc/64/09/02/1016640902.db2.gz KYFSVYBAVFLYOE-ZETCQYMHSA-N -1 0 300.286 -0.244 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-][C@H](CO)[C@@H]1CCOC1 ZINC001434568930 1002536139 /nfs/dbraw/zinc/53/61/39/1002536139.db2.gz ZSSPHFMDNWEPKX-NXEZZACHSA-N -1 0 312.413 -0.520 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC001592201905 1016635545 /nfs/dbraw/zinc/63/55/45/1016635545.db2.gz RGWFQEFZNNPTIX-BAPGLBDASA-N -1 0 309.322 -0.148 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)Cn1nnc2ccccc2c1=O ZINC001592203211 1016635686 /nfs/dbraw/zinc/63/56/86/1016635686.db2.gz YNZVCVXABVAUMF-ATJFRQLMSA-N -1 0 302.290 -0.063 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC001592193063 1016635810 /nfs/dbraw/zinc/63/58/10/1016635810.db2.gz PTFKGZNRHVGPGM-HWKXXFMVSA-N -1 0 304.368 -0.749 20 0 DBADRM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)C[C@H]1CC2(CCC2)CO1 ZINC001434576093 1002540753 /nfs/dbraw/zinc/54/07/53/1002540753.db2.gz AOLPERHWGAJNPX-PWSUYJOCSA-N -1 0 321.395 -0.211 20 0 DBADRM NC(=O)[C@@]1([N-]S(=O)(=O)Cc2noc(C3CC3)n2)CCOC1 ZINC001434581381 1002544297 /nfs/dbraw/zinc/54/42/97/1002544297.db2.gz KLGIPBPGKXAUDC-LLVKDONJSA-N -1 0 316.339 -0.989 20 0 DBADRM O=C1[C@H](NS(=O)(=O)c2ncc[n-]2)CCN1C1CCOCC1 ZINC001434590341 1002550043 /nfs/dbraw/zinc/55/00/43/1002550043.db2.gz FYUUYUFKZAOBKL-SNVBAGLBSA-N -1 0 314.367 -0.532 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001414795414 1002553716 /nfs/dbraw/zinc/55/37/16/1002553716.db2.gz VXKPLEBTZCLYEW-RNFRBKRXSA-N -1 0 313.289 -0.638 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001434613514 1002553803 /nfs/dbraw/zinc/55/38/03/1002553803.db2.gz RXVPVMDKYZVEKY-BDAKNGLRSA-N -1 0 305.381 -0.535 20 0 DBADRM Cc1ccn(CC(=O)NC[C@@H]2CCCO2)c(=O)c1-c1nnn[n-]1 ZINC001592265180 1016639451 /nfs/dbraw/zinc/63/94/51/1016639451.db2.gz CTNXMHNDKTVOJH-JTQLQIEISA-N -1 0 318.337 -0.368 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CN(C)C(=O)[C@H]2C[C@@H]2C)c1[O-] ZINC001425921427 1002567026 /nfs/dbraw/zinc/56/70/26/1002567026.db2.gz IGOHZERDTBJKGJ-GDPRMGEGSA-N -1 0 324.381 -0.029 20 0 DBADRM Cc1ccnc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001592273410 1016641292 /nfs/dbraw/zinc/64/12/92/1016641292.db2.gz KYFSVYBAVFLYOE-SSDOTTSWSA-N -1 0 300.286 -0.244 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](CO)Cc1ccc(F)cc1 ZINC001434730434 1002580307 /nfs/dbraw/zinc/58/03/07/1002580307.db2.gz UGBIACQOBYMTEV-LLVKDONJSA-N -1 0 308.317 -0.021 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC(=O)N1CCc2ccccc21 ZINC001434730426 1002581084 /nfs/dbraw/zinc/58/10/84/1002581084.db2.gz TVTIZKSILBZFCE-UHFFFAOYSA-N -1 0 315.337 -0.174 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ccccn1 ZINC001592297079 1016642362 /nfs/dbraw/zinc/64/23/62/1016642362.db2.gz FARCSFPRRIJYKY-FEUHOPSXSA-N -1 0 321.333 -0.079 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ccccn1 ZINC001592297089 1016642913 /nfs/dbraw/zinc/64/29/13/1016642913.db2.gz FARCSFPRRIJYKY-WMFXKJRFSA-N -1 0 321.333 -0.079 20 0 DBADRM CCC1(C(=O)N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001414939064 1002600449 /nfs/dbraw/zinc/60/04/49/1002600449.db2.gz HLWJZVBRJDSCKT-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1n[nH]c(C)c1CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001592325273 1016645795 /nfs/dbraw/zinc/64/57/95/1016645795.db2.gz HHKBPENHOFFFGK-MRVPVSSYSA-N -1 0 316.329 -0.324 20 0 DBADRM O=C(NCC[C@H]1CNC(=O)C1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001434830755 1002633383 /nfs/dbraw/zinc/63/33/83/1002633383.db2.gz UALJVIBSLFUFEU-NXEZZACHSA-N -1 0 322.369 -0.075 20 0 DBADRM O=C(NCC[C@@H]1CNC(=O)C1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001434830757 1002634863 /nfs/dbraw/zinc/63/48/63/1002634863.db2.gz UALJVIBSLFUFEU-VHSXEESVSA-N -1 0 322.369 -0.075 20 0 DBADRM CCn1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])n1 ZINC001597907542 1017213762 /nfs/dbraw/zinc/21/37/62/1017213762.db2.gz SVJXVVAODWVKJL-WPRPVWTQSA-N -1 0 310.310 -0.722 20 0 DBADRM COCCC(=O)NC[C@@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001415092062 1002660548 /nfs/dbraw/zinc/66/05/48/1002660548.db2.gz UPFSTMXIYTZMKM-SECBINFHSA-N -1 0 321.337 -0.706 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N(CCO)CCN1CCOCC1 ZINC001592371571 1016654063 /nfs/dbraw/zinc/65/40/63/1016654063.db2.gz UXJPPANXUBDPHF-LBPRGKRZSA-N -1 0 302.371 -0.360 20 0 DBADRM CCn1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC001415116227 1002673755 /nfs/dbraw/zinc/67/37/55/1002673755.db2.gz QAANVNORNZGXLD-UHFFFAOYSA-N -1 0 305.342 -0.315 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC001592385416 1016654931 /nfs/dbraw/zinc/65/49/31/1016654931.db2.gz STQFMUNXZSZYER-FZNYLWTLSA-N -1 0 311.338 -0.018 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC001592367291 1016656174 /nfs/dbraw/zinc/65/61/74/1016656174.db2.gz MCXIUMJHJWPLLZ-IUCAKERBSA-N -1 0 314.338 -0.247 20 0 DBADRM C[C@@H](C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001415136611 1002694683 /nfs/dbraw/zinc/69/46/83/1002694683.db2.gz NUTALRBGLVOTFD-JGVFFNPUSA-N -1 0 311.342 -0.644 20 0 DBADRM Cc1nc([N-]S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)no1 ZINC001592394416 1016657836 /nfs/dbraw/zinc/65/78/36/1016657836.db2.gz UIWAIVPUEIFXHS-UHFFFAOYSA-N -1 0 308.283 -0.246 20 0 DBADRM Cc1[nH]c(=O)ccc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592398466 1016659265 /nfs/dbraw/zinc/65/92/65/1016659265.db2.gz DSZAAAPQOWNTHM-UHFFFAOYSA-N -1 0 315.297 -0.703 20 0 DBADRM C[C@H](CNC(=O)c1c[n-]n2c1nccc2=O)NC(=O)[C@H]1C[C@@H]1C ZINC001415164579 1002713141 /nfs/dbraw/zinc/71/31/41/1002713141.db2.gz MUZHDNRHWRIZMT-AEJSXWLSSA-N -1 0 317.349 -0.087 20 0 DBADRM Cc1ncc(Cn2c(=O)c(-c3nnn[n-]3)c(C)n(C)c2=O)s1 ZINC001592410090 1016660356 /nfs/dbraw/zinc/66/03/56/1016660356.db2.gz APCCXDJUPYKTKT-UHFFFAOYSA-N -1 0 319.350 -0.151 20 0 DBADRM Cc1nccc(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001592416606 1016661775 /nfs/dbraw/zinc/66/17/75/1016661775.db2.gz JTBWMAVTBPIHCN-ZETCQYMHSA-N -1 0 314.313 -0.566 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2nc3ncccn3n2)CC1 ZINC001592418945 1016666246 /nfs/dbraw/zinc/66/62/46/1016666246.db2.gz ZDYAHRYNJNHSAE-SNVBAGLBSA-N -1 0 318.337 -0.255 20 0 DBADRM Cc1nn(C[C@@H]2C[C@@H]3COC[C@@H]3O2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592435921 1016668379 /nfs/dbraw/zinc/66/83/79/1016668379.db2.gz FJYVVZQWNZMUHD-VWYCJHECSA-N -1 0 318.337 -0.156 20 0 DBADRM C[C@H](CC(C)(C)O)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001592446322 1016668701 /nfs/dbraw/zinc/66/87/01/1016668701.db2.gz VYOYWUAEWHVNSB-VGMNWLOBSA-N -1 0 303.359 -0.187 20 0 DBADRM Cc1nn(C[C@@H]2CCCN(C)C2=O)c(=O)c(-c2nnn[n-]2)c1C ZINC001592436384 1016669401 /nfs/dbraw/zinc/66/94/01/1016669401.db2.gz PBZNHWPMSGGZRT-JTQLQIEISA-N -1 0 317.353 -0.091 20 0 DBADRM C[C@H](C[C@H](C)NC(=O)c1nnc[n-]1)Nc1cc[nH+]c(C(=O)[O-])n1 ZINC001592452153 1016673451 /nfs/dbraw/zinc/67/34/51/1016673451.db2.gz JRJBUWORCBBKFV-SFYZADRCSA-N -1 0 319.325 -0.276 20 0 DBADRM Cc1noc(C)c1N(C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001592459634 1016672932 /nfs/dbraw/zinc/67/29/32/1016672932.db2.gz NKVBKJDTXLDJMI-UHFFFAOYSA-N -1 0 303.286 -0.274 20 0 DBADRM C[C@H](CCCCO)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001592485206 1016674973 /nfs/dbraw/zinc/67/49/73/1016674973.db2.gz OHSVNXXUWQRHFV-GHMZBOCLSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@H](NC(=O)CCCF)[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001426466369 1002806794 /nfs/dbraw/zinc/80/67/94/1002806794.db2.gz FCLNITPYXMQWSA-RNFRBKRXSA-N -1 0 315.305 -0.345 20 0 DBADRM C[C@@H](NC(=O)c1cn[nH]n1)[C@@H](C)NC(=O)c1ccc(=O)[nH]c1 ZINC001426491786 1002809610 /nfs/dbraw/zinc/80/96/10/1002809610.db2.gz VTXYJQAXHZSLCI-HTQZYQBOSA-N -1 0 304.310 -0.158 20 0 DBADRM C[C@@](CCF)(NCC(=O)NCC(=O)N1CCCC1)C(=O)[O-] ZINC001592497726 1016678870 /nfs/dbraw/zinc/67/88/70/1016678870.db2.gz NNPAOJVJPYFFHX-ZDUSSCGKSA-N -1 0 303.334 -0.483 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H]1COCCO1)Nc1ncc(C(=O)[O-])cn1 ZINC001592512662 1016680783 /nfs/dbraw/zinc/68/07/83/1016680783.db2.gz BCHKLTBOHTTXHU-ONGXEEELSA-N -1 0 324.337 -0.103 20 0 DBADRM C[C@](CCF)(NCc1nc(CS(C)(=O)=O)no1)C(=O)[O-] ZINC001592505826 1016681399 /nfs/dbraw/zinc/68/13/99/1016681399.db2.gz GODRVRPXMVMIBH-SNVBAGLBSA-N -1 0 309.319 -0.093 20 0 DBADRM CN(CCNC(=O)CCC1CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415463569 1002846454 /nfs/dbraw/zinc/84/64/54/1002846454.db2.gz QBOGDQXTIRTULP-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM C[C@H](CCNC(=O)C1=COCCO1)Nc1ccnc(C(=O)[O-])n1 ZINC001592512937 1016682304 /nfs/dbraw/zinc/68/23/04/1016682304.db2.gz KCHDWFXJHCLKML-SECBINFHSA-N -1 0 322.321 -0.208 20 0 DBADRM C[C@H](CCNC(=O)[C@H]1COCCO1)Nc1ccnc(C(=O)[O-])n1 ZINC001592513971 1016682826 /nfs/dbraw/zinc/68/28/26/1016682826.db2.gz WGPHCMMDTYCNQK-NXEZZACHSA-N -1 0 324.337 -0.681 20 0 DBADRM C[C@H](CCNC(=O)[C@H]1CCNC1=O)Nc1ccnc(C(=O)[O-])n1 ZINC001592512717 1016682912 /nfs/dbraw/zinc/68/29/12/1016682912.db2.gz CHQGZIAFPHNDQY-RKDXNWHRSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NCC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001592512939 1016683016 /nfs/dbraw/zinc/68/30/16/1016683016.db2.gz KFIIGBHLHPPYRL-BDAKNGLRSA-N -1 0 323.353 -0.585 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)C1(C(N)=O)CC1 ZINC001592530645 1016685305 /nfs/dbraw/zinc/68/53/05/1016685305.db2.gz KWRNCTBXSQFHDQ-QMMMGPOBSA-N -1 0 321.337 -0.831 20 0 DBADRM CN(CCNC(=O)C1(C)CC1)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001415508481 1002866372 /nfs/dbraw/zinc/86/63/72/1002866372.db2.gz HSNRSTSNIHMYIL-UHFFFAOYSA-N -1 0 323.353 -0.410 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1CCC(=O)N1 ZINC001592530873 1016686732 /nfs/dbraw/zinc/68/67/32/1016686732.db2.gz MAXPIEJBTCCBCY-RKDXNWHRSA-N -1 0 321.337 -0.818 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)C1=COCCO1 ZINC001592530627 1016686802 /nfs/dbraw/zinc/68/68/02/1016686802.db2.gz KKABWVKWDYADPC-VIFPVBQESA-N -1 0 322.321 -0.208 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@H]1CC12CC2 ZINC001415570076 1002883068 /nfs/dbraw/zinc/88/30/68/1002883068.db2.gz LWLOUJDQRSMJFO-MRVPVSSYSA-N -1 0 309.326 -0.936 20 0 DBADRM C[C@H](CC[S@@](C)=O)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001592537364 1016687856 /nfs/dbraw/zinc/68/78/56/1016687856.db2.gz KGTABNDVJJVEDF-QONUSYMYSA-N -1 0 318.395 -0.417 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C(C)(C)F ZINC001415570103 1002884242 /nfs/dbraw/zinc/88/42/42/1002884242.db2.gz MICMMMYLJPBQRY-UHFFFAOYSA-N -1 0 303.294 -0.988 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001426764167 1002884632 /nfs/dbraw/zinc/88/46/32/1002884632.db2.gz UANJNCURKYSBKV-RQJHMYQMSA-N -1 0 315.305 -0.392 20 0 DBADRM Cn1c(=O)[nH]c(S[C@H]2COC(C)(C)C2)c(-c2nnn[n-]2)c1=O ZINC001592545418 1016688075 /nfs/dbraw/zinc/68/80/75/1016688075.db2.gz VRPVISHDZBQLLV-ZCFIWIBFSA-N -1 0 324.366 -0.087 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001592537468 1016688147 /nfs/dbraw/zinc/68/81/47/1016688147.db2.gz NHSOIEVEGCKWCH-XHNCKOQMSA-N -1 0 313.397 -0.408 20 0 DBADRM Cn1c(=O)[nH]c(NCC2(O)CCCCC2)c(-c2nnn[n-]2)c1=O ZINC001592545661 1016688222 /nfs/dbraw/zinc/68/82/22/1016688222.db2.gz ITLYZYODYSJHIE-UHFFFAOYSA-N -1 0 321.341 -0.227 20 0 DBADRM Cn1c(=O)[nH]c(N2CCC23CCCC3)c(-c2nnn[n-]2)c1=O ZINC001592544689 1016689749 /nfs/dbraw/zinc/68/97/49/1016689749.db2.gz WKWWWEINHQLDJF-UHFFFAOYSA-N -1 0 303.326 -0.223 20 0 DBADRM C[C@H](CC[S@@](C)=O)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001592537361 1016690210 /nfs/dbraw/zinc/69/02/10/1016690210.db2.gz KGTABNDVJJVEDF-FDXSBTRWSA-N -1 0 318.395 -0.417 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC(C2CC2)C2CC2)n(C)c1=O ZINC001592555309 1016695192 /nfs/dbraw/zinc/69/51/92/1016695192.db2.gz KMDCCZQYKFTVCT-UHFFFAOYSA-N -1 0 317.353 -0.135 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)CC(C)(C)C)c1=O ZINC001592558186 1016695694 /nfs/dbraw/zinc/69/56/94/1016695694.db2.gz SFOJTWYSTHYTPZ-UHFFFAOYSA-N -1 0 306.326 -0.268 20 0 DBADRM Cn1c(Cl)cnc1Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001592554173 1016696491 /nfs/dbraw/zinc/69/64/91/1016696491.db2.gz SMHZLSNIIDIGDY-UHFFFAOYSA-N -1 0 308.689 -0.436 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@H](O)C2CCCCC2)c1=O ZINC001592558159 1016696661 /nfs/dbraw/zinc/69/66/61/1016696661.db2.gz QRNYXLROUSLHID-NSHDSACASA-N -1 0 320.353 -0.332 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCC2(F)CCC2)n(C)c1=O ZINC001592555645 1016697119 /nfs/dbraw/zinc/69/71/19/1016697119.db2.gz OQFQKCNNQDMUDD-UHFFFAOYSA-N -1 0 323.332 -0.042 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@@H]1C[C@@H]1C ZINC001415701017 1002964101 /nfs/dbraw/zinc/96/41/01/1002964101.db2.gz FNFPQVQUUAAJNH-JGVFFNPUSA-N -1 0 309.326 -0.483 20 0 DBADRM C[C@H](CN(C(=O)c1nc(N)nc(N(C)C)n1)C1CC1)C(=O)[O-] ZINC001592563882 1016702837 /nfs/dbraw/zinc/70/28/37/1016702837.db2.gz JKUWZLXXSFZSQL-SSDOTTSWSA-N -1 0 308.342 -0.155 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1CCNC1=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592569080 1016707383 /nfs/dbraw/zinc/70/73/83/1016707383.db2.gz BTOVNOLKQCEHQW-WPRPVWTQSA-N -1 0 321.337 -0.430 20 0 DBADRM C[C@@H](CN(C)C(=O)Cc1nnc[nH]1)Nc1ccnc(C(=O)[O-])n1 ZINC001592574697 1016706445 /nfs/dbraw/zinc/70/64/45/1016706445.db2.gz ODQOZENKIXHKBF-QMMMGPOBSA-N -1 0 319.325 -0.784 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001427044450 1003004473 /nfs/dbraw/zinc/00/44/73/1003004473.db2.gz URUNYXZAMGZDTB-BDAKNGLRSA-N -1 0 323.353 -0.269 20 0 DBADRM C[C@H](CN(C)C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001592578790 1016708544 /nfs/dbraw/zinc/70/85/44/1016708544.db2.gz GEAUXUJGJINKFB-HTQZYQBOSA-N -1 0 311.298 -0.821 20 0 DBADRM CCCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C(C)C ZINC001415811788 1003015925 /nfs/dbraw/zinc/01/59/25/1003015925.db2.gz CCFTYVJQSIEVQN-UHFFFAOYSA-N -1 0 311.342 -0.093 20 0 DBADRM CN(CCNC(=O)c1cn2c(n1)CCCC2)Cc1n[nH]c(=O)[n-]1 ZINC001437473321 1003019536 /nfs/dbraw/zinc/01/95/36/1003019536.db2.gz TYKRKUOUESOBCT-UHFFFAOYSA-N -1 0 319.369 -0.095 20 0 DBADRM C[C@H](CN(C)C(=O)c1cnccn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592579539 1016710924 /nfs/dbraw/zinc/71/09/24/1016710924.db2.gz RCGNRDYDIZVEIW-SECBINFHSA-N -1 0 316.321 -0.041 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1ccnc(C(=O)[O-])n1 ZINC001592575417 1016712352 /nfs/dbraw/zinc/71/23/52/1016712352.db2.gz JBJURRLQZITGFF-IUCAKERBSA-N -1 0 321.337 -0.866 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001592578792 1016712486 /nfs/dbraw/zinc/71/24/86/1016712486.db2.gz GEAUXUJGJINKFB-JGVFFNPUSA-N -1 0 311.298 -0.821 20 0 DBADRM CCCN(C(C)=O)[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001415909958 1003043395 /nfs/dbraw/zinc/04/33/95/1003043395.db2.gz ZERUKFVCINBEGF-LLVKDONJSA-N -1 0 322.365 -0.041 20 0 DBADRM CCCn1cc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001437520512 1003047822 /nfs/dbraw/zinc/04/78/22/1003047822.db2.gz FVCXYWFYJXIYHE-UHFFFAOYSA-N -1 0 307.358 -0.021 20 0 DBADRM CN(CCNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001437521841 1003054425 /nfs/dbraw/zinc/05/44/25/1003054425.db2.gz CVIWCNNPQNMFEZ-ZJUUUORDSA-N -1 0 324.385 -0.650 20 0 DBADRM CNC(=O)[C@H](C)N(C)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001437541937 1003061276 /nfs/dbraw/zinc/06/12/76/1003061276.db2.gz QPFORCZNOQSECH-QMMMGPOBSA-N -1 0 321.337 -0.276 20 0 DBADRM Cc1cnc([C@H](C)N(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001437548717 1003062740 /nfs/dbraw/zinc/06/27/40/1003062740.db2.gz VSSNTBPMXYBWRW-VIFPVBQESA-N -1 0 324.341 -0.205 20 0 DBADRM CC(=O)NCC[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C(C)C ZINC001427336988 1003083672 /nfs/dbraw/zinc/08/36/72/1003083672.db2.gz SWJRIGUENXHDBJ-LLVKDONJSA-N -1 0 310.354 -0.234 20 0 DBADRM CCN(CCNC(=O)CO[C@@H]1CCOC1)Cc1n[nH]c(=O)[n-]1 ZINC001437599089 1003088390 /nfs/dbraw/zinc/08/83/90/1003088390.db2.gz LFVYXLOSZYXCJT-SNVBAGLBSA-N -1 0 313.358 -0.746 20 0 DBADRM CN(C(=O)COCCNC(=O)c1ccccc1)c1nnn[n-]1 ZINC001437669778 1003128941 /nfs/dbraw/zinc/12/89/41/1003128941.db2.gz XBRRWMGLWSECAO-UHFFFAOYSA-N -1 0 304.310 -0.391 20 0 DBADRM CCCCC(=O)NCC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001416067443 1003143477 /nfs/dbraw/zinc/14/34/77/1003143477.db2.gz NBSBAPLDOHWAJE-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001437712372 1003167315 /nfs/dbraw/zinc/16/73/15/1003167315.db2.gz NMGQLNGJBRUTJR-ZJUUUORDSA-N -1 0 324.385 -0.637 20 0 DBADRM C[C@@H](CN1CCOCC1)N(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001592625413 1016731208 /nfs/dbraw/zinc/73/12/08/1016731208.db2.gz YDTSMDCUFCKHKK-NSHDSACASA-N -1 0 323.415 -0.710 20 0 DBADRM C[C@@H](CN1CCOCC1)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001592623436 1016731670 /nfs/dbraw/zinc/73/16/70/1016731670.db2.gz INFQTIUDJRDWFV-RYUDHWBXSA-N -1 0 320.411 -0.719 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCCNC1=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592647257 1016733180 /nfs/dbraw/zinc/73/31/80/1016733180.db2.gz CGQFGSOVDZSWPA-SCZZXKLOSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@H](CNC(=O)CCn1ccnc1)Nc1ccnc(C(=O)[O-])n1 ZINC001592650531 1016733669 /nfs/dbraw/zinc/73/36/69/1016733669.db2.gz HJQKZEOYRGDQEA-SNVBAGLBSA-N -1 0 318.337 -0.200 20 0 DBADRM C[C@H](CNC(=O)[C@H]1COCCO1)CNc1ccnc(C(=O)[O-])n1 ZINC001592647913 1016734230 /nfs/dbraw/zinc/73/42/30/1016734230.db2.gz QVRAPHVNYIVOEN-VHSXEESVSA-N -1 0 324.337 -0.824 20 0 DBADRM C[C@@H](CNC(=O)C1=COCCO1)Nc1ccnc(C(=O)[O-])n1 ZINC001592641080 1016734359 /nfs/dbraw/zinc/73/43/59/1016734359.db2.gz UZKDIAAAAOTYFX-QMMMGPOBSA-N -1 0 308.294 -0.599 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCCNC1=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592647256 1016734489 /nfs/dbraw/zinc/73/44/89/1016734489.db2.gz CGQFGSOVDZSWPA-PSASIEDQSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCNC1=O)N(C)c1ncc(C(=O)[O-])cn1 ZINC001592647654 1016734550 /nfs/dbraw/zinc/73/45/50/1016734550.db2.gz LXGFQWILURRXIO-PSASIEDQSA-N -1 0 321.337 -0.748 20 0 DBADRM C[C@H](CNC(=O)CC1(O)CCC1)Nc1ccnc(C(=O)[O-])n1 ZINC001592646221 1016734647 /nfs/dbraw/zinc/73/46/47/1016734647.db2.gz UAFBVMDUAOCUIU-SECBINFHSA-N -1 0 308.338 -0.182 20 0 DBADRM CCCN(CCNC(=O)c1cn(C)nn1)Cc1n[nH]c(=O)[n-]1 ZINC001437753441 1003195419 /nfs/dbraw/zinc/19/54/19/1003195419.db2.gz ZWHYKUHDZQZAMZ-UHFFFAOYSA-N -1 0 308.346 -0.719 20 0 DBADRM C[C@@H](CNC(=O)CCn1cncn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592650304 1016735161 /nfs/dbraw/zinc/73/51/61/1016735161.db2.gz BSHDWDWGGSPFLO-VIFPVBQESA-N -1 0 319.325 -0.805 20 0 DBADRM C[C@@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1nncn1C ZINC001592650955 1016736245 /nfs/dbraw/zinc/73/62/45/1016736245.db2.gz NGURBHACDIBGMM-VHSXEESVSA-N -1 0 323.353 -0.642 20 0 DBADRM C[C@H](CNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C)C(=O)[O-] ZINC001592660115 1016736751 /nfs/dbraw/zinc/73/67/51/1016736751.db2.gz MGVXDHVABZSOQJ-NXEZZACHSA-N -1 0 301.343 -0.103 20 0 DBADRM C[C@@H](CNC(=O)Cn1cncn1)CNc1ccnc(C(=O)[O-])n1 ZINC001592653899 1016736921 /nfs/dbraw/zinc/73/69/21/1016736921.db2.gz CZIHCBDDHVPOFM-SECBINFHSA-N -1 0 319.325 -0.947 20 0 DBADRM C[C@H](CNC(=O)CO[C@@H]1CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001592654108 1016737733 /nfs/dbraw/zinc/73/77/33/1016737733.db2.gz SCOMBJFFWTUMIO-NXEZZACHSA-N -1 0 324.337 -0.681 20 0 DBADRM C[C@@H](CNC(=O)Cc1cnn(C)c1)Nc1ccnc(C(=O)[O-])n1 ZINC001592654604 1016737972 /nfs/dbraw/zinc/73/79/72/1016737972.db2.gz LIRJQELDUMAIRP-VIFPVBQESA-N -1 0 318.337 -0.511 20 0 DBADRM C[C@H](CNC(=O)CO[C@H]1CCOC1)Nc1ncc(C(=O)[O-])cn1 ZINC001592653517 1016737987 /nfs/dbraw/zinc/73/79/87/1016737987.db2.gz GNUUHPOTQLUROR-KOLCDFICSA-N -1 0 324.337 -0.103 20 0 DBADRM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])nn1)S(C)(=O)=O ZINC001592681496 1016743119 /nfs/dbraw/zinc/74/31/19/1016743119.db2.gz AOPFYQKYBJBPHT-ZCFIWIBFSA-N -1 0 302.312 -0.271 20 0 DBADRM C[C@H](CNC(=O)c1cccnn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592701125 1016747353 /nfs/dbraw/zinc/74/73/53/1016747353.db2.gz KWUAEDKKIHFTKN-MRVPVSSYSA-N -1 0 302.294 -0.383 20 0 DBADRM C[C@H](CNC(=O)c1cn[nH]c(=O)c1)Nc1ccnc(C(=O)[O-])n1 ZINC001592701131 1016748144 /nfs/dbraw/zinc/74/81/44/1016748144.db2.gz KZTFXUPIJJVNQH-SSDOTTSWSA-N -1 0 318.293 -0.677 20 0 DBADRM C[C@@H](CNC(=O)c1cn[nH]n1)N(C)c1ccnc(C(=O)[O-])n1 ZINC001592692495 1016748961 /nfs/dbraw/zinc/74/89/61/1016748961.db2.gz NSJAAAIIHPKBLP-ZETCQYMHSA-N -1 0 305.298 -0.452 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](NCC(N)=O)c2ccccc2)c1[O-] ZINC001437867717 1003273469 /nfs/dbraw/zinc/27/34/69/1003273469.db2.gz QXRHELFURLOHRK-NSHDSACASA-N -1 0 317.349 -0.030 20 0 DBADRM C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)Cn1cccn1 ZINC001592716435 1016758100 /nfs/dbraw/zinc/75/81/00/1016758100.db2.gz VTSMXJATGFDBME-MRVPVSSYSA-N -1 0 313.339 -0.081 20 0 DBADRM CC(C)[C@@H](F)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001495862385 1016760024 /nfs/dbraw/zinc/76/00/24/1016760024.db2.gz WRWILGAMEBADIM-GXSJLCMTSA-N -1 0 315.349 -0.179 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001427770068 1003340117 /nfs/dbraw/zinc/34/01/17/1003340117.db2.gz SXCKTDYIXGGZQR-ZJUUUORDSA-N -1 0 308.342 -0.950 20 0 DBADRM COCCC(=O)NCC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001438104920 1003349742 /nfs/dbraw/zinc/34/97/42/1003349742.db2.gz IVYZTHBHKCEHTC-UHFFFAOYSA-N -1 0 319.365 -0.393 20 0 DBADRM Cc1cc(CC(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001438112172 1003352014 /nfs/dbraw/zinc/35/20/14/1003352014.db2.gz MOQJNNGIJFWGGI-UHFFFAOYSA-N -1 0 306.326 -0.403 20 0 DBADRM CC(C)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001416608660 1003359942 /nfs/dbraw/zinc/35/99/42/1003359942.db2.gz VSWDYEJYEXMBTA-XHNCKOQMSA-N -1 0 323.353 -0.191 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(Cc2cscn2)C1 ZINC001438152074 1003360937 /nfs/dbraw/zinc/36/09/37/1003360937.db2.gz IWNGWROHFFQXIB-UHFFFAOYSA-N -1 0 324.366 -0.606 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001416632644 1003363038 /nfs/dbraw/zinc/36/30/38/1003363038.db2.gz KXZRCRVCHUZOJS-VHSXEESVSA-N -1 0 322.365 -0.328 20 0 DBADRM NC(=O)C1(C(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)CCC1 ZINC001592717557 1016764058 /nfs/dbraw/zinc/76/40/58/1016764058.db2.gz PHFJWDWORJUMSV-UHFFFAOYSA-N -1 0 302.294 -0.068 20 0 DBADRM CN(CCN(C)C(=O)C1(C)CC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001416667680 1003379206 /nfs/dbraw/zinc/37/92/06/1003379206.db2.gz JDNXEWXQFAPHEZ-UHFFFAOYSA-N -1 0 322.365 -0.184 20 0 DBADRM CCN(C(=O)CNC(C)=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438253316 1003396163 /nfs/dbraw/zinc/39/61/63/1003396163.db2.gz SROHDDAABMNTSC-SNVBAGLBSA-N -1 0 310.358 -0.931 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1cn(C)cn1 ZINC001592728904 1016771124 /nfs/dbraw/zinc/77/11/24/1016771124.db2.gz HLEGRGQZLSTDLM-VIFPVBQESA-N -1 0 318.337 -0.097 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)N(C)C(=O)c1ncn(C)n1 ZINC001592729107 1016771791 /nfs/dbraw/zinc/77/17/91/1016771791.db2.gz LLKIZDALWLDXOB-MRVPVSSYSA-N -1 0 319.325 -0.124 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC2(C)C)c1[O-] ZINC001427932820 1003479127 /nfs/dbraw/zinc/47/91/27/1003479127.db2.gz XJVDZWWATUPLID-BDAKNGLRSA-N -1 0 310.354 -0.323 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001592730481 1016777084 /nfs/dbraw/zinc/77/70/84/1016777084.db2.gz WIKLHIPKQANRDT-WCBMZHEXSA-N -1 0 321.337 -0.288 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001592734478 1016779101 /nfs/dbraw/zinc/77/91/01/1016779101.db2.gz VWPMPYPFOKLTAV-UHFFFAOYSA-N -1 0 303.336 -0.346 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)CC(C)(F)F)c1[O-] ZINC001427949841 1003500974 /nfs/dbraw/zinc/50/09/74/1003500974.db2.gz RJOGWTJMKWLYTF-SSDOTTSWSA-N -1 0 320.296 -0.324 20 0 DBADRM NC(=O)c1ccc(C=CC(=O)Nc2c[nH]nc2-c2nnn[n-]2)o1 ZINC001592736058 1016780976 /nfs/dbraw/zinc/78/09/76/1016780976.db2.gz NXJQGWMKTHGENT-RQOWECAXSA-N -1 0 314.265 -0.066 20 0 DBADRM C[C@@](CO)(NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC001592743445 1016785294 /nfs/dbraw/zinc/78/52/94/1016785294.db2.gz VTNCCIVCAPIXTK-BMIGLBTASA-N -1 0 306.318 -0.009 20 0 DBADRM C[C@@](CO)(NC(=O)c1ccc(S(C)(=O)=O)cc1N)C(=O)[O-] ZINC001592744952 1016788033 /nfs/dbraw/zinc/78/80/33/1016788033.db2.gz PEAHJVWRACLYFS-LBPRGKRZSA-N -1 0 316.335 -0.762 20 0 DBADRM CC(C)(C)N1CCC[C@H](C(=O)N[C@@](C)(CO)C(=O)[O-])C1=O ZINC001592744612 1016788510 /nfs/dbraw/zinc/78/85/10/1016788510.db2.gz ZVAHAGZPDVAPPY-OTYXRUKQSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(C)N1CCC[C@@H](C(=O)N[C@](C)(CO)C(=O)[O-])C1=O ZINC001592744609 1016789486 /nfs/dbraw/zinc/78/94/86/1016789486.db2.gz ZVAHAGZPDVAPPY-LKFCYVNXSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@@](CO)(NC(=O)/C=C\c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC001592744065 1016789803 /nfs/dbraw/zinc/78/98/03/1016789803.db2.gz XTBLTSZUYBJMKH-FHMRSRPSSA-N -1 0 317.319 -0.352 20 0 DBADRM C[C@](CO)(NCC(=O)NC(=O)NCc1cccs1)C(=O)[O-] ZINC001592751285 1016791800 /nfs/dbraw/zinc/79/18/00/1016791800.db2.gz YYAXYGJAHWCJJM-GFCCVEGCSA-N -1 0 315.351 -0.501 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2cn[nH]n2)CN1C(=O)COCC(F)F ZINC001428077951 1003586330 /nfs/dbraw/zinc/58/63/30/1003586330.db2.gz PXHYUMAIYDMMKQ-HTQZYQBOSA-N -1 0 317.296 -0.194 20 0 DBADRM C[C@H](CNC(=O)c1c[n-]n2c1nccc2=O)NC(=O)[C@@H]1C[C@H]1C ZINC001416845610 1003590534 /nfs/dbraw/zinc/59/05/34/1003590534.db2.gz MUZHDNRHWRIZMT-OPRDCNLKSA-N -1 0 317.349 -0.087 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001592756221 1016795927 /nfs/dbraw/zinc/79/59/27/1016795927.db2.gz SYNKVIBDNHLEPC-YYSFKGJASA-N -1 0 316.401 -0.447 20 0 DBADRM C[C@H](CO)CCCNC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001592759084 1016797946 /nfs/dbraw/zinc/79/79/46/1016797946.db2.gz YIUQIZNCAUTODQ-DCAQKATOSA-N -1 0 316.354 -0.788 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1ccc2c(c1)COC2)C(=O)[O-] ZINC001592756250 1016797960 /nfs/dbraw/zinc/79/79/60/1016797960.db2.gz UDNXORSXQAFKKE-LBPRGKRZSA-N -1 0 301.320 -0.169 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC([C@@H](F)C(N)=O)CC1)C(=O)[O-] ZINC001592799583 1016804612 /nfs/dbraw/zinc/80/46/12/1016804612.db2.gz VPYLTMAGRKUEHW-IONNQARKSA-N -1 0 310.347 -0.428 20 0 DBADRM C[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001592762135 1016799511 /nfs/dbraw/zinc/79/95/11/1016799511.db2.gz NUYGHNBIAHPCRD-RXMQYKEDSA-N -1 0 301.686 -0.131 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC2(CC1)COCCO2)C(=O)[O-] ZINC001592799660 1016804684 /nfs/dbraw/zinc/80/46/84/1016804684.db2.gz XQUYJWWXWAHNSU-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@@H](CS(=O)(=O)N(C)[C@H](C)CN1CCOCC1)C(=O)[O-] ZINC001592788195 1016800342 /nfs/dbraw/zinc/80/03/42/1016800342.db2.gz PNQOACQPVAQIIK-WDEREUQCSA-N -1 0 308.400 -0.311 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC(C2CS(=O)(=O)C2)C1)C(=O)[O-] ZINC001592789665 1016801882 /nfs/dbraw/zinc/80/18/82/1016801882.db2.gz LQTKIEANISCXPT-ZETCQYMHSA-N -1 0 311.381 -0.987 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@H](C)N(CCO)C[C@@H]1C)C(=O)[O-] ZINC001592789303 1016802147 /nfs/dbraw/zinc/80/21/47/1016802147.db2.gz DREARHNHLMOBBL-VWYCJHECSA-N -1 0 308.400 -0.576 20 0 DBADRM C[C@H](CS(=O)(=O)NCCCCCS(C)(=O)=O)C(=O)[O-] ZINC001592807371 1016804752 /nfs/dbraw/zinc/80/47/52/1016804752.db2.gz DODRLLFPZLSRQO-SECBINFHSA-N -1 0 315.413 -0.159 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@@H]2OCCNC(=O)[C@@H]21)C(=O)[O-] ZINC001592799709 1016804763 /nfs/dbraw/zinc/80/47/63/1016804763.db2.gz ZHOXKOLSQQATHW-KXUCPTDWSA-N -1 0 320.367 -0.984 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[C@H](NC(=O)N(C)C)C1)C(=O)[O-] ZINC001592798255 1016802445 /nfs/dbraw/zinc/80/24/45/1016802445.db2.gz NBJGOGRYMNKCBI-UWVGGRQHSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC(F)(F)[C@@H](CO)C1)C(=O)[O-] ZINC001592798099 1016802611 /nfs/dbraw/zinc/80/26/11/1016802611.db2.gz KPWHOBQWEDUQKA-HTQZYQBOSA-N -1 0 301.311 -0.014 20 0 DBADRM C[C@H](CS(=O)(=O)N1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C)C(=O)[O-] ZINC001592789020 1016802771 /nfs/dbraw/zinc/80/27/71/1016802771.db2.gz ALJKGYLAHBDZSI-XFWSIPNHSA-N -1 0 306.384 -0.024 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC(F)(F)[C@H](CO)C1)C(=O)[O-] ZINC001592798101 1016803239 /nfs/dbraw/zinc/80/32/39/1016803239.db2.gz KPWHOBQWEDUQKA-SFYZADRCSA-N -1 0 301.311 -0.014 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@@H](NC(=O)N(C)C)C1)C(=O)[O-] ZINC001592798254 1016803264 /nfs/dbraw/zinc/80/32/64/1016803264.db2.gz NBJGOGRYMNKCBI-NXEZZACHSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@@H](CS(=O)(=O)NCC1(S(C)(=O)=O)CCC1)C(=O)[O-] ZINC001592806964 1016804079 /nfs/dbraw/zinc/80/40/79/1016804079.db2.gz AZGLXHNRXYGNEP-QMMMGPOBSA-N -1 0 313.397 -0.406 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN(C)C(=O)c2ccoc2)c1[O-] ZINC001428154266 1003647620 /nfs/dbraw/zinc/64/76/20/1003647620.db2.gz IUWBJUFXDUVESR-JTQLQIEISA-N -1 0 322.321 -0.120 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCO[C@H](Cn2ccnn2)C1)C(=O)[O-] ZINC001592801199 1016804207 /nfs/dbraw/zinc/80/42/07/1016804207.db2.gz ZKZJAPARBMVOCN-VHSXEESVSA-N -1 0 318.355 -0.971 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001592815430 1016805823 /nfs/dbraw/zinc/80/58/23/1016805823.db2.gz GKJIAGMKLVGJBO-ZCFIWIBFSA-N -1 0 302.312 -0.271 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001592815119 1016805958 /nfs/dbraw/zinc/80/59/58/1016805958.db2.gz BVYATUFTAJSHBN-UTINFBMNSA-N -1 0 307.368 -0.244 20 0 DBADRM O=C(CC1CC1)[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001592813415 1016806010 /nfs/dbraw/zinc/80/60/10/1016806010.db2.gz DDZLTLGFWMREJZ-UHFFFAOYSA-N -1 0 308.323 -0.133 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@]12CC(=O)N[C@H]1CCCC2)C(=O)[O-] ZINC001592816216 1016806586 /nfs/dbraw/zinc/80/65/86/1016806586.db2.gz MLBRNDSMYFJVSF-HOTUBEGUSA-N -1 0 304.368 -0.172 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001592813774 1016806637 /nfs/dbraw/zinc/80/66/37/1016806637.db2.gz GQZZBJLKRCCISH-BBBLOLIVSA-N -1 0 307.368 -0.194 20 0 DBADRM O=C(CN1C[C@@H](O)C[C@H]1CO)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001592868919 1016811093 /nfs/dbraw/zinc/81/10/93/1016811093.db2.gz GYVDPIYJIKUZLH-RYUDHWBXSA-N -1 0 318.337 -0.767 20 0 DBADRM C[C@H](Cc1ccccc1F)NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001592897078 1016812124 /nfs/dbraw/zinc/81/21/24/1016812124.db2.gz ZWMTTXWUWNRMCZ-SECBINFHSA-N -1 0 324.308 -0.469 20 0 DBADRM O=C(COc1ccc(F)nc1-c1nnn[n-]1)N1CCNC1=O ZINC001592893972 1016812414 /nfs/dbraw/zinc/81/24/14/1016812414.db2.gz YNILLOCXWCRGQK-UHFFFAOYSA-N -1 0 307.245 -0.669 20 0 DBADRM O=C(COC1CCCC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592884561 1016813395 /nfs/dbraw/zinc/81/33/95/1016813395.db2.gz MEFJRQTZLWMRJG-UHFFFAOYSA-N -1 0 306.330 -0.466 20 0 DBADRM C[C@H](Cn1cncn1)NS(=O)(=O)c1scnc1C(=O)[O-] ZINC001592929192 1016816601 /nfs/dbraw/zinc/81/66/01/1016816601.db2.gz FAWZIYILPHCNCJ-ZCFIWIBFSA-N -1 0 317.352 -0.200 20 0 DBADRM Cc1cc(OCC(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001438883999 1003716915 /nfs/dbraw/zinc/71/69/15/1003716915.db2.gz YSARLALPZDEITG-UHFFFAOYSA-N -1 0 324.341 -0.224 20 0 DBADRM O=C(Cn1cncc(-c2nnn[n-]2)c1=O)NCC(F)(F)F ZINC001592941474 1016821102 /nfs/dbraw/zinc/82/11/02/1016821102.db2.gz PMUIYEPCIBYOKH-UHFFFAOYSA-N -1 0 303.204 -0.898 20 0 DBADRM CN(CCN(C)C(=O)CCc1nccn1C)Cc1n[nH]c(=O)[n-]1 ZINC001438893042 1003724550 /nfs/dbraw/zinc/72/45/50/1003724550.db2.gz IAQOJYZPVBSFED-UHFFFAOYSA-N -1 0 321.385 -0.233 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccccc1CO ZINC001592941370 1016821659 /nfs/dbraw/zinc/82/16/59/1016821659.db2.gz ZQWJQCJIZQOUHU-UHFFFAOYSA-N -1 0 314.309 -0.733 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001592925275 1016817599 /nfs/dbraw/zinc/81/75/99/1016817599.db2.gz AGHRHUQSKTXPFL-GUBZILKMSA-N -1 0 311.342 -0.451 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001592929740 1016817782 /nfs/dbraw/zinc/81/77/82/1016817782.db2.gz BLNDKHDDYPLMAX-QMMMGPOBSA-N -1 0 320.309 -0.542 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)CSCC(N)=O)C(=O)[O-] ZINC001592918118 1016817915 /nfs/dbraw/zinc/81/79/15/1016817915.db2.gz YCVXRHHEYRZTQD-LLVKDONJSA-N -1 0 300.340 -0.939 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)c1cnc2n1CCOC2)C(=O)[O-] ZINC001592925040 1016817948 /nfs/dbraw/zinc/81/79/48/1016817948.db2.gz QMAQLKDZATVOCG-AWEZNQCLSA-N -1 0 319.321 -0.117 20 0 DBADRM CC(F)(F)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001592934722 1016818453 /nfs/dbraw/zinc/81/84/53/1016818453.db2.gz QUOONCYABAJZKY-KVEIKIFDSA-N -1 0 302.277 -0.065 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001592931428 1016818715 /nfs/dbraw/zinc/81/87/15/1016818715.db2.gz MHSCGTIMDRRUOS-ONGXEEELSA-N -1 0 323.353 -0.600 20 0 DBADRM O=C(Cn1cccc(-c2nnn[n-]2)c1=O)N[C@@H]1CCSC1=O ZINC001592937548 1016818792 /nfs/dbraw/zinc/81/87/92/1016818792.db2.gz CHZSAZHGLZXNFN-MRVPVSSYSA-N -1 0 320.334 -0.823 20 0 DBADRM C[C@@H](Cn1cncn1)NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001592930801 1016819045 /nfs/dbraw/zinc/81/90/45/1016819045.db2.gz XAQCBKWGBCZBIL-QMMMGPOBSA-N -1 0 313.339 -0.318 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001592931901 1016819215 /nfs/dbraw/zinc/81/92/15/1016819215.db2.gz RZHGEFRCSAKLEL-NXEZZACHSA-N -1 0 309.326 -0.752 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001592931904 1016819664 /nfs/dbraw/zinc/81/96/64/1016819664.db2.gz RZHGEFRCSAKLEL-ZJUUUORDSA-N -1 0 309.326 -0.752 20 0 DBADRM CC(F)(F)C(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001592934384 1016819836 /nfs/dbraw/zinc/81/98/36/1016819836.db2.gz JCLGZKDIVWQPIS-JGVFFNPUSA-N -1 0 308.281 -0.701 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001592931363 1016820002 /nfs/dbraw/zinc/82/00/02/1016820002.db2.gz VOVVVQYGIPYJPK-SNVBAGLBSA-N -1 0 311.342 -0.448 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1C(=O)C1=CCCC1 ZINC001417051035 1003803020 /nfs/dbraw/zinc/80/30/20/1003803020.db2.gz KAVDPJNIKOPFSI-JTQLQIEISA-N -1 0 321.337 -0.483 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC12CC2 ZINC001417054846 1003804270 /nfs/dbraw/zinc/80/42/70/1003804270.db2.gz UBXLQAPQQOVVDK-IUCAKERBSA-N -1 0 321.337 -0.794 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)c1ccccn1 ZINC001592981148 1016827336 /nfs/dbraw/zinc/82/73/36/1016827336.db2.gz PAOHCEJLTXBXOM-SCVCMEIPSA-N -1 0 321.333 -0.041 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001428273322 1003812406 /nfs/dbraw/zinc/81/24/06/1003812406.db2.gz XVDKXZTVWLTURA-HLTSFMKQSA-N -1 0 311.342 -0.501 20 0 DBADRM C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)CO)c1ncc(C(=O)[O-])s1 ZINC001592972715 1016827682 /nfs/dbraw/zinc/82/76/82/1016827682.db2.gz YSHVOWNONFWOHN-NKWVEPMBSA-N -1 0 315.351 -0.142 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1cccnc1 ZINC001592970021 1016827696 /nfs/dbraw/zinc/82/76/96/1016827696.db2.gz BJSMOPLTIDFRGZ-ONGXEEELSA-N -1 0 307.306 -0.429 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1csnn1 ZINC001592981165 1016827898 /nfs/dbraw/zinc/82/78/98/1016827898.db2.gz PMOLDIAKWBOVEN-GJMOJQLCSA-N -1 0 312.351 -0.106 20 0 DBADRM CCCC(=O)NCC1(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001417096113 1003816334 /nfs/dbraw/zinc/81/63/34/1003816334.db2.gz BCUOYTISNNRERW-UHFFFAOYSA-N -1 0 323.353 -0.220 20 0 DBADRM C[C@H](NC(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001592979256 1016828273 /nfs/dbraw/zinc/82/82/73/1016828273.db2.gz PKBNHWAEFDYYAH-GSURGFDJSA-N -1 0 310.350 -0.103 20 0 DBADRM CCCCC(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001417262140 1003856494 /nfs/dbraw/zinc/85/64/94/1003856494.db2.gz SCGSUHQTVSYNFN-UHFFFAOYSA-N -1 0 311.342 -0.451 20 0 DBADRM C[C@@H](NC(=O)[C@H]1OCCN(C)C1=O)c1ncc(C(=O)[O-])s1 ZINC001593008826 1016831857 /nfs/dbraw/zinc/83/18/57/1016831857.db2.gz JNCPVFTXIIPDBN-HTRCEHHLSA-N -1 0 313.335 -0.124 20 0 DBADRM CN(C)C(=O)CN(C)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001417600145 1003895547 /nfs/dbraw/zinc/89/55/47/1003895547.db2.gz WEPUKXUFOLGOFE-UHFFFAOYSA-N -1 0 319.321 -0.574 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H](C)n1cccn1 ZINC001439298102 1003896983 /nfs/dbraw/zinc/89/69/83/1003896983.db2.gz ADCSIAQMSLLDLN-NXEZZACHSA-N -1 0 307.358 -0.096 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1)n1cccn1 ZINC001439298106 1003897456 /nfs/dbraw/zinc/89/74/56/1003897456.db2.gz ADCSIAQMSLLDLN-VHSXEESVSA-N -1 0 307.358 -0.096 20 0 DBADRM C[C@@H](NC(=O)COC(=O)c1cc(C(=O)[O-])no1)C(=O)N(C)C ZINC001593029216 1016834817 /nfs/dbraw/zinc/83/48/17/1016834817.db2.gz BBMUTIAWGULJQP-ZCFIWIBFSA-N -1 0 313.266 -0.878 20 0 DBADRM O=C(N[C@@H]1CC[S@@](=O)C1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001592995756 1016829142 /nfs/dbraw/zinc/82/91/42/1016829142.db2.gz JXJKNFFLPOWDAW-IJSAXESFSA-N -1 0 307.335 -0.177 20 0 DBADRM CCN1C[C@@H](C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001439331309 1003926020 /nfs/dbraw/zinc/92/60/20/1003926020.db2.gz LWMQCAGIAIDDSR-ZJUUUORDSA-N -1 0 324.385 -0.685 20 0 DBADRM O=C(CCc1ccc(=O)[nH]c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001417635964 1003926331 /nfs/dbraw/zinc/92/63/31/1003926331.db2.gz NHSSREIBANWRRG-JTQLQIEISA-N -1 0 304.310 -0.167 20 0 DBADRM O=C(CCc1ccc(=O)[nH]c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001417635965 1003928730 /nfs/dbraw/zinc/92/87/30/1003928730.db2.gz NHSSREIBANWRRG-SNVBAGLBSA-N -1 0 304.310 -0.167 20 0 DBADRM CCN(CC(=O)N(C)C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001417638182 1003933645 /nfs/dbraw/zinc/93/36/45/1003933645.db2.gz AUYRKZOQXPGBCU-UHFFFAOYSA-N -1 0 317.353 -0.375 20 0 DBADRM Cc1nocc1CN(C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001439344876 1003934974 /nfs/dbraw/zinc/93/49/74/1003934974.db2.gz JCCVPVIQBQMXHP-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001417660216 1003944729 /nfs/dbraw/zinc/94/47/29/1003944729.db2.gz OECXLLZWUXCXFP-HORACTTISA-N -1 0 316.383 -0.115 20 0 DBADRM C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C1N=NC(=O)N1C ZINC001593073313 1016837007 /nfs/dbraw/zinc/83/70/07/1016837007.db2.gz ZJKFFKAYTSXYAL-PRJMDXOYSA-N -1 0 313.314 -0.535 20 0 DBADRM C[C@@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)c1nncn1C ZINC001593051088 1016837065 /nfs/dbraw/zinc/83/70/65/1016837065.db2.gz PWKYHVDEXYKUEB-MRVPVSSYSA-N -1 0 305.294 -0.448 20 0 DBADRM O=C(NCC1(CO)COC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001417686894 1003968969 /nfs/dbraw/zinc/96/89/69/1003968969.db2.gz WYLCSKMEPLTADQ-UHFFFAOYSA-N -1 0 306.278 -0.825 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCCc2c1cnn2C ZINC001417685560 1003970775 /nfs/dbraw/zinc/97/07/75/1003970775.db2.gz YRCFIDCRLMLCIJ-VIFPVBQESA-N -1 0 306.326 -0.041 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H](CO)c1c(F)cccc1F ZINC001417690863 1003972072 /nfs/dbraw/zinc/97/20/72/1003972072.db2.gz HFFBOGLOWQNJHD-QMMMGPOBSA-N -1 0 314.248 -0.183 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC001417691923 1003974993 /nfs/dbraw/zinc/97/49/93/1003974993.db2.gz OWOZKKLWJPZNGT-ZETCQYMHSA-N -1 0 311.367 -0.271 20 0 DBADRM C[C@H](NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)C1(S(C)(=O)=O)CC1 ZINC001593078798 1016839039 /nfs/dbraw/zinc/83/90/39/1016839039.db2.gz OHXKEUCXHTXCBU-AXTSPUMRSA-N -1 0 316.379 -0.076 20 0 DBADRM O=C([C@@H](O)c1cccnc1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001417719386 1004002806 /nfs/dbraw/zinc/00/28/06/1004002806.db2.gz FARWWUWIXURDRP-UWVGGRQHSA-N -1 0 306.351 -0.055 20 0 DBADRM C[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](C(N)=O)C1 ZINC001417721217 1004003259 /nfs/dbraw/zinc/00/32/59/1004003259.db2.gz MHBHLINIDNNRNR-DTWKUNHWSA-N -1 0 311.342 -0.418 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)C1(CF)CCC1 ZINC001593091035 1016840609 /nfs/dbraw/zinc/84/06/09/1016840609.db2.gz VAXOOHBPQNPPIU-UHFFFAOYSA-N -1 0 320.332 -0.254 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H](CO)Cc1ccncc1 ZINC001417719003 1004003676 /nfs/dbraw/zinc/00/36/76/1004003676.db2.gz QBZGXRIUTABPGO-NSHDSACASA-N -1 0 321.337 -0.416 20 0 DBADRM O=C([C@H](O)c1cccnc1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001417719387 1004003948 /nfs/dbraw/zinc/00/39/48/1004003948.db2.gz FARWWUWIXURDRP-VHSXEESVSA-N -1 0 306.351 -0.055 20 0 DBADRM O=C(Cc1ncccc1F)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001417725897 1004006764 /nfs/dbraw/zinc/00/67/64/1004006764.db2.gz NNKIJYGDPRNVSO-UHFFFAOYSA-N -1 0 306.301 -0.214 20 0 DBADRM O=C([C@@H]1C[C@H]2CC(=O)[C@@H]1C2)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001417725724 1004006902 /nfs/dbraw/zinc/00/69/02/1004006902.db2.gz GXRJKGVXOCTGFA-IVZWLZJFSA-N -1 0 305.338 -0.375 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001417729963 1004009143 /nfs/dbraw/zinc/00/91/43/1004009143.db2.gz CYGHBVASOGAQTL-NTSWFWBYSA-N -1 0 322.243 -0.664 20 0 DBADRM Cn1cnnc1COCC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001417727380 1004010036 /nfs/dbraw/zinc/01/00/36/1004010036.db2.gz SUVNNLUCUYBBRB-VIFPVBQESA-N -1 0 321.341 -0.438 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1CC1(Cl)Cl ZINC001593110280 1016843778 /nfs/dbraw/zinc/84/37/78/1016843778.db2.gz VIVGRXQOFBXELN-YFKPBYRVSA-N -1 0 317.140 -0.232 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cc(-c2nn[nH]n2)ccc1F ZINC001593106889 1016844367 /nfs/dbraw/zinc/84/43/67/1016844367.db2.gz MTSDNZSVURADAH-UHFFFAOYSA-N -1 0 319.256 -0.345 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)Cc1ncc[nH]1 ZINC001417744633 1004018099 /nfs/dbraw/zinc/01/80/99/1004018099.db2.gz OZKHAMJNKXPRNJ-SECBINFHSA-N -1 0 305.342 -0.491 20 0 DBADRM CN(CCNC(=O)C1(C)CC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001496127309 1016844793 /nfs/dbraw/zinc/84/47/93/1016844793.db2.gz ZUZXKTPAYZYREE-UHFFFAOYSA-N -1 0 308.338 -0.526 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccc2[nH]ccc2n1 ZINC001593112950 1016844930 /nfs/dbraw/zinc/84/49/30/1016844930.db2.gz UAZJTVREADUPCG-UHFFFAOYSA-N -1 0 324.308 -0.236 20 0 DBADRM CCN(C)C(=O)CN1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001439517898 1004029004 /nfs/dbraw/zinc/02/90/04/1004029004.db2.gz YVCGPNCAHYAOLG-JTQLQIEISA-N -1 0 309.370 -0.294 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001439526386 1004032878 /nfs/dbraw/zinc/03/28/78/1004032878.db2.gz OFHJHCSEBPNHDK-IUCAKERBSA-N -1 0 306.330 -0.947 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC001417814579 1004049209 /nfs/dbraw/zinc/04/92/09/1004049209.db2.gz FAPNTNDBDLUAFD-NKWVEPMBSA-N -1 0 324.259 -0.291 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CCn2ccnc2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001417851452 1004067894 /nfs/dbraw/zinc/06/78/94/1004067894.db2.gz ZPFIFPWVCUUMDW-MNOVXSKESA-N -1 0 319.369 -0.124 20 0 DBADRM Cn1ccc(CCC(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001439605824 1004068689 /nfs/dbraw/zinc/06/86/89/1004068689.db2.gz DEDSLMGZGNTIFA-UHFFFAOYSA-N -1 0 319.369 -0.385 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N(CCO)C1CCC1 ZINC001593109153 1016843436 /nfs/dbraw/zinc/84/34/36/1016843436.db2.gz IGVANBRIXKPDPZ-UHFFFAOYSA-N -1 0 321.345 -0.985 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCCN1C(=O)CCCc1nnn[n-]1 ZINC001417873394 1004081067 /nfs/dbraw/zinc/08/10/67/1004081067.db2.gz VVPQDEPHOIOGIK-JTQLQIEISA-N -1 0 315.399 -0.052 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001439668674 1004090977 /nfs/dbraw/zinc/09/09/77/1004090977.db2.gz TWYYWLPWSNOCKB-UHFFFAOYSA-N -1 0 324.385 -0.589 20 0 DBADRM Cn1cnc(CCNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC001417928341 1004114353 /nfs/dbraw/zinc/11/43/53/1004114353.db2.gz QJASNWLHASYOGD-UHFFFAOYSA-N -1 0 324.362 -0.254 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(OC)c(S(C)(=O)=O)c1 ZINC001439798971 1004122460 /nfs/dbraw/zinc/12/24/60/1004122460.db2.gz KYNZDNYCHDHCAV-UHFFFAOYSA-N -1 0 316.335 -0.494 20 0 DBADRM O=C([N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1)c1ccco1 ZINC001593172829 1016850436 /nfs/dbraw/zinc/85/04/36/1016850436.db2.gz QFEMERIMXYNPQG-UHFFFAOYSA-N -1 0 320.290 -0.027 20 0 DBADRM C[C@@H](NC(=O)c1ccn[nH]1)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593155512 1016850616 /nfs/dbraw/zinc/85/06/16/1016850616.db2.gz DHTHJTWERAMHEH-HTQZYQBOSA-N -1 0 304.310 -0.061 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC001417960042 1004140015 /nfs/dbraw/zinc/14/00/15/1004140015.db2.gz OVBRHPBPGKSBEK-UHFFFAOYSA-N -1 0 322.346 -0.309 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1cccc(-c2nn[nH]n2)n1 ZINC001593172717 1016851162 /nfs/dbraw/zinc/85/11/62/1016851162.db2.gz NSIVOJPDQOYHSD-UHFFFAOYSA-N -1 0 323.338 -0.668 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001593181081 1016851174 /nfs/dbraw/zinc/85/11/74/1016851174.db2.gz DVODDVPQFULTQB-INTQDDNPSA-N -1 0 310.306 -0.308 20 0 DBADRM C[C@@H](NC(=O)c1ccnn1C)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593181150 1016851242 /nfs/dbraw/zinc/85/12/42/1016851242.db2.gz HXMDWZQBPKOGAB-RKDXNWHRSA-N -1 0 318.337 -0.051 20 0 DBADRM C[C@H](CC(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001496147088 1016851389 /nfs/dbraw/zinc/85/13/89/1016851389.db2.gz HWKAYHXXYBUIIO-MRVPVSSYSA-N -1 0 323.353 -0.093 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CCCC1 ZINC001439965435 1004157215 /nfs/dbraw/zinc/15/72/15/1004157215.db2.gz BZTOEIJSGBLKBI-AWEZNQCLSA-N -1 0 309.370 -0.247 20 0 DBADRM O=C(Nc1c[nH]nc1-c1nnn[n-]1)[C@H]1CC(=O)N(C2CC2)C1 ZINC001593261205 1016857452 /nfs/dbraw/zinc/85/74/52/1016857452.db2.gz STMPKZYXHAXMTE-LURJTMIESA-N -1 0 302.298 -0.461 20 0 DBADRM CCC[C@H](C)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001439981869 1004167157 /nfs/dbraw/zinc/16/71/57/1004167157.db2.gz LJHJWTSNHHMZOK-IINYFYTJSA-N -1 0 311.386 -0.001 20 0 DBADRM C[C@@](NS(=O)(=O)CCN1CCOC1=O)(C(=O)[O-])C1CC1 ZINC001593318498 1016859958 /nfs/dbraw/zinc/85/99/58/1016859958.db2.gz ARIZPGLFZYHDRT-NSHDSACASA-N -1 0 306.340 -0.389 20 0 DBADRM C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1nnnn1C1CC1 ZINC001593324504 1016860379 /nfs/dbraw/zinc/86/03/79/1016860379.db2.gz AFBYWXQHJNCQSA-ZETCQYMHSA-N -1 0 318.359 -0.690 20 0 DBADRM C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)[C@H](C)N1CCOCC1 ZINC001593320658 1016860590 /nfs/dbraw/zinc/86/05/90/1016860590.db2.gz YZWOJQAHIJWNDB-MNOVXSKESA-N -1 0 320.411 -0.120 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001593332034 1016860604 /nfs/dbraw/zinc/86/06/04/1016860604.db2.gz GGQWJPREVHXPOZ-LURJTMIESA-N -1 0 300.286 -0.662 20 0 DBADRM C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)c1nccc(N)n1 ZINC001593320206 1016860704 /nfs/dbraw/zinc/86/07/04/1016860704.db2.gz WAYJWDDAPDMYHO-ZETCQYMHSA-N -1 0 300.340 -0.096 20 0 DBADRM C[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1N=NC(=O)N1C ZINC001593324755 1016860893 /nfs/dbraw/zinc/86/08/93/1016860893.db2.gz DJDVBXJPRSHTLW-QYNIQEEDSA-N -1 0 304.328 -0.636 20 0 DBADRM C[C@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)[C@@H]1CN(C)CCN1C ZINC001593320680 1016860948 /nfs/dbraw/zinc/86/09/48/1016860948.db2.gz ZEILNESHVHJUIG-QWRGUYRKSA-N -1 0 319.427 -0.453 20 0 DBADRM C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)[C@@H](C)N1CCOCC1 ZINC001593320656 1016861015 /nfs/dbraw/zinc/86/10/15/1016861015.db2.gz YZWOJQAHIJWNDB-GHMZBOCLSA-N -1 0 320.411 -0.120 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)[C@@H]1CN(C)CCO1 ZINC001593327390 1016861392 /nfs/dbraw/zinc/86/13/92/1016861392.db2.gz ZMBFRFSBTFHXND-WPRPVWTQSA-N -1 0 318.351 -0.025 20 0 DBADRM C[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])c1nnnn1C ZINC001593320771 1016862031 /nfs/dbraw/zinc/86/20/31/1016862031.db2.gz ZCFPJSIZIQXFIL-MRVPVSSYSA-N -1 0 305.360 -0.165 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCS(=O)(=O)CC1 ZINC001593335170 1016862861 /nfs/dbraw/zinc/86/28/61/1016862861.db2.gz OTXJNRQUFMTOJN-UHFFFAOYSA-N -1 0 323.334 -0.557 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)c1nncn1C ZINC001593346324 1016863921 /nfs/dbraw/zinc/86/39/21/1016863921.db2.gz YYJZLGRQXJHTKQ-SSDOTTSWSA-N -1 0 311.323 -0.052 20 0 DBADRM C[C@H](Nc1ccnc(C(=O)[O-])n1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001593366891 1016866266 /nfs/dbraw/zinc/86/62/66/1016866266.db2.gz HQZPQMODGNMJSX-IUCAKERBSA-N -1 0 321.337 -0.879 20 0 DBADRM O=C(c1cnccc1-c1nn[nH]n1)N1CC[C@H](O)[C@H](CO)C1 ZINC001593363726 1016866472 /nfs/dbraw/zinc/86/64/72/1016866472.db2.gz XTSSSKRLOQUTIL-KWQFWETISA-N -1 0 304.310 -0.923 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)c1)N1[C@H](CO)CC[C@H]1CO ZINC001593347838 1016866585 /nfs/dbraw/zinc/86/65/85/1016866585.db2.gz IMGBMMBSBOTUQT-RYUDHWBXSA-N -1 0 303.322 -0.176 20 0 DBADRM O=C(c1ccc(-c2nnn[n-]2)o1)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC001593385957 1016867361 /nfs/dbraw/zinc/86/73/61/1016867361.db2.gz LYBCOVZLOMTJSY-ZETCQYMHSA-N -1 0 316.277 -0.521 20 0 DBADRM O=C1CCCN1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC001593394731 1016871995 /nfs/dbraw/zinc/87/19/95/1016871995.db2.gz PZIPKTSDPNKNFA-UHFFFAOYSA-N -1 0 309.311 -0.923 20 0 DBADRM O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001593390565 1016871221 /nfs/dbraw/zinc/87/12/21/1016871221.db2.gz MBMDONGEXSZEIA-QMMMGPOBSA-N -1 0 316.277 -0.893 20 0 DBADRM C[C@@](O)(CN1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC001593396726 1016872735 /nfs/dbraw/zinc/87/27/35/1016872735.db2.gz VNZFQXRKIGRTCI-ZXFLCMHBSA-N -1 0 319.301 -0.271 20 0 DBADRM O=C(NCC[S@](=O)CC(F)(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001418428784 1004387081 /nfs/dbraw/zinc/38/70/81/1004387081.db2.gz ZNAKIJCCCGSPDR-FQEVSTJZSA-N -1 0 314.245 -0.676 20 0 DBADRM C[C@](O)(CNC(=O)Cn1cccc(C(=O)[O-])c1=O)C(F)(F)F ZINC001593404688 1016875106 /nfs/dbraw/zinc/87/51/06/1016875106.db2.gz DRNFUDXHDBATGN-NSHDSACASA-N -1 0 322.239 -0.024 20 0 DBADRM C[C@](O)(CNC(=O)C[C@H](NC(N)=O)c1cccs1)C(=O)[O-] ZINC001593400633 1016875360 /nfs/dbraw/zinc/87/53/60/1016875360.db2.gz LFXKETNYRJOUKC-MADCSZMMSA-N -1 0 315.351 -0.201 20 0 DBADRM C[C@@](O)(CNC(=O)C[C@H](NC(N)=O)c1cccs1)C(=O)[O-] ZINC001593400631 1016875400 /nfs/dbraw/zinc/87/54/00/1016875400.db2.gz LFXKETNYRJOUKC-JVXZTZIISA-N -1 0 315.351 -0.201 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N(C)CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001496250889 1016876103 /nfs/dbraw/zinc/87/61/03/1016876103.db2.gz RDGUYSIJGUWKEX-BDAKNGLRSA-N -1 0 323.353 -0.554 20 0 DBADRM O=C1NCCN1[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001593407812 1016877138 /nfs/dbraw/zinc/87/71/38/1016877138.db2.gz PHQGABCNLKZUSK-SECBINFHSA-N -1 0 315.341 -0.349 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)[O-] ZINC001593405421 1016877330 /nfs/dbraw/zinc/87/73/30/1016877330.db2.gz LVOWSCIHXFICOJ-LLVKDONJSA-N -1 0 322.239 -0.181 20 0 DBADRM CN(CCNC(=O)CCCn1cncn1)Cc1n[nH]c(=O)[n-]1 ZINC001418510121 1004443560 /nfs/dbraw/zinc/44/35/60/1004443560.db2.gz NLEKESPZRQABDM-UHFFFAOYSA-N -1 0 308.346 -0.870 20 0 DBADRM CSCC[C@H](NC(=O)CCCS(C)(=O)=O)c1nnn[n-]1 ZINC001418525330 1004455472 /nfs/dbraw/zinc/45/54/72/1004455472.db2.gz CWQSNFMLEAJARB-QMMMGPOBSA-N -1 0 321.428 -0.065 20 0 DBADRM CN(CCNC(=O)c1cc(N(C)C)ccn1)Cc1n[nH]c(=O)[n-]1 ZINC001418527234 1004455512 /nfs/dbraw/zinc/45/55/12/1004455512.db2.gz JBVSDWJQZVRCCB-UHFFFAOYSA-N -1 0 319.369 -0.167 20 0 DBADRM O=S(=O)(CCNc1ccnc(-c2nnn[n-]2)n1)CC1CC1 ZINC001593419885 1016879635 /nfs/dbraw/zinc/87/96/35/1016879635.db2.gz XNGYYBKTPZIONK-UHFFFAOYSA-N -1 0 309.355 -0.685 20 0 DBADRM CCN(CCNC(=O)c1ccc(=O)[nH]n1)Cc1n[nH]c(=O)[n-]1 ZINC001418534368 1004460260 /nfs/dbraw/zinc/46/02/60/1004460260.db2.gz KMNIKZYIHRADRX-UHFFFAOYSA-N -1 0 307.314 -0.742 20 0 DBADRM C[C@](O)(CO)CNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001593416809 1016879881 /nfs/dbraw/zinc/87/98/81/1016879881.db2.gz FYMBXSCYRIEIOH-LLVKDONJSA-N -1 0 302.308 -0.756 20 0 DBADRM O=S(=O)(CC1CCC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001593418110 1016880094 /nfs/dbraw/zinc/88/00/94/1016880094.db2.gz JSGJWYXLYGGJAJ-UHFFFAOYSA-N -1 0 312.359 -0.822 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)C1(C(=O)[O-])CC1 ZINC001593428200 1016881281 /nfs/dbraw/zinc/88/12/81/1016881281.db2.gz WJCCZAKDGBDFDE-CQSZACIVSA-N -1 0 323.301 -0.424 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001593425835 1016881906 /nfs/dbraw/zinc/88/19/06/1016881906.db2.gz NGQKSVITJDVMJS-MRGUHSIWSA-N -1 0 312.366 -0.169 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@]1(C)CCC(=O)N1 ZINC001418594267 1004490418 /nfs/dbraw/zinc/49/04/18/1004490418.db2.gz FGOXCXPYOJMBTF-OTYXRUKQSA-N -1 0 322.369 -0.788 20 0 DBADRM C[C@@H](O)C(C)(C)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001593426822 1016882206 /nfs/dbraw/zinc/88/22/06/1016882206.db2.gz DJRBWTRKPWURJW-SECBINFHSA-N -1 0 303.359 -0.326 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001593425615 1016882228 /nfs/dbraw/zinc/88/22/28/1016882228.db2.gz JWFGKBNUMLPANE-LDWIPMOCSA-N -1 0 310.310 -0.668 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001593427650 1016882446 /nfs/dbraw/zinc/88/24/46/1016882446.db2.gz YQIZABHFDVXXIS-LHLIQPBNSA-N -1 0 310.310 -0.668 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)c2nnn[n-]2)cc1 ZINC001418626149 1004508554 /nfs/dbraw/zinc/50/85/54/1004508554.db2.gz WYAMVRTVSALXBL-VIFPVBQESA-N -1 0 324.366 -0.162 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001418625178 1004508822 /nfs/dbraw/zinc/50/88/22/1004508822.db2.gz ZVOQRMKGENORHH-NXEZZACHSA-N -1 0 324.385 -0.494 20 0 DBADRM O=S(=O)(NC1(CO)CC1)c1ccsc1-c1nnn[n-]1 ZINC001593429949 1016884168 /nfs/dbraw/zinc/88/41/68/1016884168.db2.gz SITNKIUTWDMBOG-UHFFFAOYSA-N -1 0 301.353 -0.269 20 0 DBADRM O=S(=O)(N[C@H](CO)CCF)c1cccnc1-c1nnn[n-]1 ZINC001593430994 1016884263 /nfs/dbraw/zinc/88/42/63/1016884263.db2.gz YJQOBXUMVZSTMW-ZETCQYMHSA-N -1 0 316.318 -0.740 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001593437745 1016885230 /nfs/dbraw/zinc/88/52/30/1016885230.db2.gz TYTUHOKWNNNJGE-WDEREUQCSA-N -1 0 315.370 -0.230 20 0 DBADRM C[C@@H](O)[C@@H]1CCCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001593437738 1016885236 /nfs/dbraw/zinc/88/52/36/1016885236.db2.gz TYTUHOKWNNNJGE-GHMZBOCLSA-N -1 0 315.370 -0.230 20 0 DBADRM C[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001593438533 1016885640 /nfs/dbraw/zinc/88/56/40/1016885640.db2.gz WEPDMISPURUEKZ-HTQZYQBOSA-N -1 0 303.340 -0.111 20 0 DBADRM C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001593435925 1016886185 /nfs/dbraw/zinc/88/61/85/1016886185.db2.gz ILSVWBVNJNRQLH-KXNHARMFSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H](O)[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CCO1 ZINC001593442222 1016887762 /nfs/dbraw/zinc/88/77/62/1016887762.db2.gz MCWVNWWNPUKKKW-VXNVDRBHSA-N -1 0 305.308 -0.252 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC001418676664 1004560499 /nfs/dbraw/zinc/56/04/99/1004560499.db2.gz JWPZAGKYGBXSCU-GFCCVEGCSA-N -1 0 321.362 -0.160 20 0 DBADRM O=S(=O)(NC[C@@H]1CC[C@@H](O)C1)c1cccnc1-c1nnn[n-]1 ZINC001593439530 1016888078 /nfs/dbraw/zinc/88/80/78/1016888078.db2.gz UPDIFRUJGFRIPC-RKDXNWHRSA-N -1 0 324.366 -0.299 20 0 DBADRM O=S(=O)(NC[C@H]1C[C@@H](O)C1)c1cccnc1-c1nnn[n-]1 ZINC001593442683 1016888228 /nfs/dbraw/zinc/88/82/28/1016888228.db2.gz CHEIEMLRLRXCAL-OCAPTIKFSA-N -1 0 310.339 -0.689 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCO1 ZINC001593442631 1016888264 /nfs/dbraw/zinc/88/82/64/1016888264.db2.gz SPUWILQUYXMLRE-CHWFTXMASA-N -1 0 302.327 -0.733 20 0 DBADRM O=S(=O)(NCCc1cnoc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593440171 1016888578 /nfs/dbraw/zinc/88/85/78/1016888578.db2.gz LBVFVMQKRORXTI-UHFFFAOYSA-N -1 0 310.295 -0.031 20 0 DBADRM C[C@@H](O)CN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1)C1CC1 ZINC001593446374 1016889604 /nfs/dbraw/zinc/88/96/04/1016889604.db2.gz GDWWILJOKQOCLC-KOLCDFICSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001593447085 1016889970 /nfs/dbraw/zinc/88/99/70/1016889970.db2.gz GOPTVHUFPMMQBE-HBNTYKKESA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCCCCC(=O)[O-] ZINC001593450059 1016889983 /nfs/dbraw/zinc/88/99/83/1016889983.db2.gz IHUVUZPTVNPSKI-WDEREUQCSA-N -1 0 316.354 -0.644 20 0 DBADRM C[C@@H](O)CN(C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)C1CC1 ZINC001593446912 1016890116 /nfs/dbraw/zinc/89/01/16/1016890116.db2.gz NPGDLOMOGLYVKD-QTCIEIIFSA-N -1 0 324.377 -0.026 20 0 DBADRM O=S(=O)(N[C@H]1CCC[C@H]1CO)c1cccnc1-c1nnn[n-]1 ZINC001593446137 1016890168 /nfs/dbraw/zinc/89/01/68/1016890168.db2.gz STYIMMVZBWDJKI-IUCAKERBSA-N -1 0 324.366 -0.299 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001593458816 1016890921 /nfs/dbraw/zinc/89/09/21/1016890921.db2.gz INNDZEBCPBMXPK-SNVBAGLBSA-N -1 0 317.363 -0.323 20 0 DBADRM C[C@@H](O)CN(CC(F)F)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001593458765 1016891899 /nfs/dbraw/zinc/89/18/99/1016891899.db2.gz GMGJHYABHBSYFC-RXMQYKEDSA-N -1 0 313.282 -0.256 20 0 DBADRM NC(=O)N[C@@H](CO)C(=O)Nc1nccc(Br)c1[O-] ZINC001418744923 1004609640 /nfs/dbraw/zinc/60/96/40/1004609640.db2.gz FSGLFXJMRNAWTP-YFKPBYRVSA-N -1 0 319.115 -0.483 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1CCC[C@H]1CO ZINC001593457281 1016891980 /nfs/dbraw/zinc/89/19/80/1016891980.db2.gz KKBMUMQFLYPKPP-QMMMGPOBSA-N -1 0 310.339 -0.593 20 0 DBADRM C[C@H](O)CN(CCO)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001593459869 1016892328 /nfs/dbraw/zinc/89/23/28/1016892328.db2.gz TXIOMXXHJUZFDR-NSHDSACASA-N -1 0 302.371 -0.435 20 0 DBADRM C[C@H](O)CN1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC001593462563 1016893095 /nfs/dbraw/zinc/89/30/95/1016893095.db2.gz MPDCCRBYPUZGSE-VIFPVBQESA-N -1 0 317.367 -0.600 20 0 DBADRM Cc1nn[nH]c1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001418763879 1004626489 /nfs/dbraw/zinc/62/64/89/1004626489.db2.gz ATFWXUYRZRAYCO-UHFFFAOYSA-N -1 0 306.330 -0.669 20 0 DBADRM C[C@@H](O)CN1CCN([C@H]2CCCN(CCC(=O)[O-])C2=O)CC1 ZINC001593461808 1016893650 /nfs/dbraw/zinc/89/36/50/1016893650.db2.gz BUVBQIIEVQYAKJ-OLZOCXBDSA-N -1 0 313.398 -0.550 20 0 DBADRM C[C@H](O)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001593462256 1016893998 /nfs/dbraw/zinc/89/39/98/1016893998.db2.gz FZZKKTIIAQWQAN-GZMMTYOYSA-N -1 0 308.290 -0.638 20 0 DBADRM O=C(C[C@H]1CCC(=O)N1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001418787648 1004643708 /nfs/dbraw/zinc/64/37/08/1004643708.db2.gz IFZFPURMGPZZPT-SECBINFHSA-N -1 0 322.369 -0.740 20 0 DBADRM C[C@H](O)[C@H]1CCCN1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001593470508 1016896558 /nfs/dbraw/zinc/89/65/58/1016896558.db2.gz BCBWKYUSKBQAKJ-AATLWQCWSA-N -1 0 301.343 -0.481 20 0 DBADRM C[C@@H](OC(=O)[C@@]1(C)CCC(=O)NC1)c1cn(CC(=O)[O-])nn1 ZINC001593491725 1016897154 /nfs/dbraw/zinc/89/71/54/1016897154.db2.gz WGXCDNQJGMEBEU-OQPBUACISA-N -1 0 310.310 -0.117 20 0 DBADRM C[C@H](O)c1ncc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])s1 ZINC001593482095 1016897372 /nfs/dbraw/zinc/89/73/72/1016897372.db2.gz OTAQRHCJRMAFEJ-NKWVEPMBSA-N -1 0 313.335 -0.388 20 0 DBADRM O=c1c(-c2nnn[n-]2)c2c(cn1CN1CCO[C@@H]3C[C@@H]31)CCC2 ZINC001593492675 1016898135 /nfs/dbraw/zinc/89/81/35/1016898135.db2.gz UYWIJJKBIOYMJP-NWDGAFQWSA-N -1 0 314.349 -0.052 20 0 DBADRM CC(C)(C)n1cnc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)n1 ZINC001418862775 1004691966 /nfs/dbraw/zinc/69/19/66/1004691966.db2.gz HHYSSUCRKYUJRO-QMMMGPOBSA-N -1 0 306.330 -0.240 20 0 DBADRM C[C@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])N1CCSCC1 ZINC001593485529 1016898638 /nfs/dbraw/zinc/89/86/38/1016898638.db2.gz RTEVFWCUDDTAPC-BDAKNGLRSA-N -1 0 304.368 -0.444 20 0 DBADRM O=c1cc(-c2nnn[n-]2)ncn1C[C@H](O)CC1(O)CCCCC1 ZINC001593493542 1016899460 /nfs/dbraw/zinc/89/94/60/1016899460.db2.gz JSUVGQRBVACXJY-SNVBAGLBSA-N -1 0 320.353 -0.130 20 0 DBADRM O=c1cc(-c2nnn[n-]2)ncn1Cc1nc(CC2CC2)no1 ZINC001593495552 1016899562 /nfs/dbraw/zinc/89/95/62/1016899562.db2.gz IHIYWHOLYRBDFU-UHFFFAOYSA-N -1 0 300.282 -0.193 20 0 DBADRM C[C@H](OC(=O)C1(O)Cc2ccccc2C1)C(=O)NCC(=O)[O-] ZINC001593496947 1016899804 /nfs/dbraw/zinc/89/98/04/1016899804.db2.gz RLQWKRAUGJJAHX-VIFPVBQESA-N -1 0 307.302 -0.351 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CCCS1(=O)=O)c1cn(CC(=O)[O-])nn1 ZINC001593499423 1016899837 /nfs/dbraw/zinc/89/98/37/1016899837.db2.gz BATSBXFQYQKHCT-CBAPKCEASA-N -1 0 317.323 -0.456 20 0 DBADRM COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)CCc1nnn[n-]1 ZINC001418920416 1004715041 /nfs/dbraw/zinc/71/50/41/1004715041.db2.gz JALDMXKXMUIQTF-NXEZZACHSA-N -1 0 311.342 -0.393 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)C(=O)[O-] ZINC001593503865 1016900115 /nfs/dbraw/zinc/90/01/15/1016900115.db2.gz ZRKQHSNUTYVORF-YUMQZZPRSA-N -1 0 307.324 -0.614 20 0 DBADRM O=c1c(-c2nnn[n-]2)cccn1CN1CCc2ncncc2C1 ZINC001593495320 1016900225 /nfs/dbraw/zinc/90/02/25/1016900225.db2.gz UTKXLJAVRLVSCG-UHFFFAOYSA-N -1 0 310.321 -0.166 20 0 DBADRM C[C@@H](OC(=O)C1(S(C)(=O)=O)CCOCC1)C(=O)C(=O)[O-] ZINC001593496886 1016900313 /nfs/dbraw/zinc/90/03/13/1016900313.db2.gz QDZSNEBWXPDXNH-SSDOTTSWSA-N -1 0 308.308 -0.834 20 0 DBADRM O=C(CCc1ncccn1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001418991632 1004752777 /nfs/dbraw/zinc/75/27/77/1004752777.db2.gz UUMQIKHWIIBLHP-UHFFFAOYSA-N -1 0 303.326 -0.767 20 0 DBADRM C[C@@H](OC(=O)CCCC(=O)[O-])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001593516978 1016903713 /nfs/dbraw/zinc/90/37/13/1016903713.db2.gz VWJDWHWPTYHZPM-ZJUUUORDSA-N -1 0 314.338 -0.103 20 0 DBADRM C[C@@H](OC(=O)[C@H]1COc2ccccc2O1)C(=O)NCC(=O)[O-] ZINC001593512799 1016904220 /nfs/dbraw/zinc/90/42/20/1016904220.db2.gz BPYULMQWZCRXDX-LDYMZIIASA-N -1 0 309.274 -0.041 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1cc(C(F)(F)F)n[nH]1 ZINC001419012090 1004763077 /nfs/dbraw/zinc/76/30/77/1004763077.db2.gz BECASNDAOKDZEM-UHFFFAOYSA-N -1 0 306.204 -0.252 20 0 DBADRM O=C(c1cn([C@@H]2CC[C@H]2O)nn1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001419045031 1004783592 /nfs/dbraw/zinc/78/35/92/1004783592.db2.gz WQXSYGGRQAWJQV-SZEHBUNVSA-N -1 0 304.314 -0.883 20 0 DBADRM C[C@@H](OC(=O)CCNC(=O)c1ccco1)C(=O)NCC(=O)[O-] ZINC001593526038 1016908035 /nfs/dbraw/zinc/90/80/35/1016908035.db2.gz QTYJOQPGHKNUHF-MRVPVSSYSA-N -1 0 312.278 -0.468 20 0 DBADRM C[C@H](OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)C(=O)[O-] ZINC001593528565 1016908876 /nfs/dbraw/zinc/90/88/76/1016908876.db2.gz YIKWQNZRSGWKTE-IYQDAUBNSA-N -1 0 312.278 -0.708 20 0 DBADRM O=C(N[C@@H](CO)CC1OCCO1)c1ccc2oc(=O)nc-2[n-]1 ZINC001419153265 1004821546 /nfs/dbraw/zinc/82/15/46/1004821546.db2.gz WYLRKVIABIODQJ-SSDOTTSWSA-N -1 0 309.278 -0.218 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@H]1Cc2cnccc2NC1=O ZINC001419162431 1004824297 /nfs/dbraw/zinc/82/42/97/1004824297.db2.gz WQTVNPFNYWNJSL-JTQLQIEISA-N -1 0 301.310 -0.403 20 0 DBADRM Cn1nc(C(F)(F)F)cc1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001419356761 1004861815 /nfs/dbraw/zinc/86/18/15/1004861815.db2.gz VDTOQXZKIOHOCR-UHFFFAOYSA-N -1 0 320.231 -0.242 20 0 DBADRM C[C@@H](OC(=O)Cc1ccc(C(N)=O)cc1)C(=O)NCC(=O)[O-] ZINC001593535741 1016913705 /nfs/dbraw/zinc/91/37/05/1016913705.db2.gz ZIASCBYBDPOYNH-MRVPVSSYSA-N -1 0 308.290 -0.540 20 0 DBADRM COC[C@@H](NC(=O)c1cccc2c1NC(=O)CO2)c1nnn[n-]1 ZINC001419557168 1004899341 /nfs/dbraw/zinc/89/93/41/1004899341.db2.gz VFAIXBLDLSXRLZ-MRVPVSSYSA-N -1 0 318.293 -0.352 20 0 DBADRM CNC(=O)c1ccc(C(=O)N[C@H](COC)c2nnn[n-]2)cn1 ZINC001419554354 1004899424 /nfs/dbraw/zinc/89/94/24/1004899424.db2.gz OKDFPKHJCBFNGX-SECBINFHSA-N -1 0 305.298 -0.928 20 0 DBADRM COC[C@H](NC(=O)c1cn2c(n1)C[C@@H](OC)CC2)c1nnn[n-]1 ZINC001419556913 1004899581 /nfs/dbraw/zinc/89/95/81/1004899581.db2.gz RMZBBMKTLDDXHC-WPRPVWTQSA-N -1 0 321.341 -0.525 20 0 DBADRM COC[C@H](NC(=O)c1cc2c(cc1O)OCO2)c1nnn[n-]1 ZINC001419558422 1004900596 /nfs/dbraw/zinc/90/05/96/1004900596.db2.gz VVZYWZYUDUWHHZ-ZETCQYMHSA-N -1 0 307.266 -0.249 20 0 DBADRM C[C@@H](OC(=O)c1c(Br)nnn1C)C(=O)C(=O)[O-] ZINC001593562010 1016921476 /nfs/dbraw/zinc/92/14/76/1016921476.db2.gz CIHYFNWCAGTEGN-GSVOUGTGSA-N -1 0 306.072 -0.223 20 0 DBADRM Nc1nnc(CC(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)s1 ZINC001419596783 1004914933 /nfs/dbraw/zinc/91/49/33/1004914933.db2.gz QHNBXMFJQCCEHS-ZETCQYMHSA-N -1 0 308.371 -0.343 20 0 DBADRM C[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC001593548272 1016920150 /nfs/dbraw/zinc/92/01/50/1016920150.db2.gz VGPCCULHNFEHNS-UWVGGRQHSA-N -1 0 322.317 -0.063 20 0 DBADRM c1cc(N[C@@H]2CCO[C@]3(CCOC3)C2)nc(-c2nnn[n-]2)n1 ZINC001593559469 1016924955 /nfs/dbraw/zinc/92/49/55/1016924955.db2.gz ZDLIJYVWBJAYPJ-NOZJJQNGSA-N -1 0 303.326 -0.171 20 0 DBADRM O=C(NC[C@H](O)Cc1ccccc1F)c1n[nH]c(=O)[n-]c1=O ZINC001419690802 1004941912 /nfs/dbraw/zinc/94/19/12/1004941912.db2.gz GPGGDRKUDKZJBU-MRVPVSSYSA-N -1 0 308.269 -0.245 20 0 DBADRM c1cc(N2CCC[C@@H]2CN2CCOCC2)nc(-c2nnn[n-]2)n1 ZINC001593558281 1016925401 /nfs/dbraw/zinc/92/54/01/1016925401.db2.gz AXGQRYCTDSDJTF-LLVKDONJSA-N -1 0 316.369 -0.042 20 0 DBADRM c1nc(-c2nnn[n-]2)nn1CCNc1ccc2nccnc2n1 ZINC001593588251 1016926141 /nfs/dbraw/zinc/92/61/41/1016926141.db2.gz YITSSZLUWPILHN-UHFFFAOYSA-N -1 0 309.297 -0.718 20 0 DBADRM C[C@@H](OC(=O)c1cccc(OCC(N)=O)c1)C(=O)NCC(=O)[O-] ZINC001593593457 1016928035 /nfs/dbraw/zinc/92/80/35/1016928035.db2.gz PFZONXRYSBIWPD-MRVPVSSYSA-N -1 0 324.289 -0.703 20 0 DBADRM C[C@H](OC(=O)c1ccc(OCC(N)=O)cc1)C(=O)NCC(=O)[O-] ZINC001593585450 1016923416 /nfs/dbraw/zinc/92/34/16/1016923416.db2.gz ONFZBIPAMBTHFP-QMMMGPOBSA-N -1 0 324.289 -0.703 20 0 DBADRM C[C@@H](OC(=O)c1cnc2c(c1)nnn2C)C(=O)NCC(=O)[O-] ZINC001593597416 1016927973 /nfs/dbraw/zinc/92/79/73/1016927973.db2.gz XFBCLDZVLWMZLP-ZCFIWIBFSA-N -1 0 307.266 -0.891 20 0 DBADRM C[C@H](OC(=O)c1ccnc(C(=O)[O-])c1)C(=O)N1CCNC1=O ZINC001593592111 1016930416 /nfs/dbraw/zinc/93/04/16/1016930416.db2.gz PLGQJPLHPBBUQG-ZETCQYMHSA-N -1 0 307.262 -0.123 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001593606523 1016932560 /nfs/dbraw/zinc/93/25/60/1016932560.db2.gz RKTSVLBYIAMZFY-HBNTYKKESA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC001593659401 1016932877 /nfs/dbraw/zinc/93/28/77/1016932877.db2.gz SJVVCEZEUVQNJL-RITPCOANSA-N -1 0 315.351 -0.556 20 0 DBADRM Cc1cc(=O)c(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)c[nH]1 ZINC001420035524 1005056136 /nfs/dbraw/zinc/05/61/36/1005056136.db2.gz KIRAWJLXQVJONN-UHFFFAOYSA-N -1 0 320.353 -0.289 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001593606521 1016933542 /nfs/dbraw/zinc/93/35/42/1016933542.db2.gz RKTSVLBYIAMZFY-DCAQKATOSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001593685329 1016933560 /nfs/dbraw/zinc/93/35/60/1016933560.db2.gz QVBSDCJQJDREIY-BIIVOSGPSA-N -1 0 300.340 -0.346 20 0 DBADRM CC[C@H](NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001593623792 1016933579 /nfs/dbraw/zinc/93/35/79/1016933579.db2.gz QAUNUTIQNDPAOB-BDAKNGLRSA-N -1 0 313.397 -0.406 20 0 DBADRM C[C@@H](Oc1cccnc1)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001593656387 1016933591 /nfs/dbraw/zinc/93/35/91/1016933591.db2.gz ZXOPJTIJFVNKKH-KOLCDFICSA-N -1 0 305.294 -0.290 20 0 DBADRM C[C@@H](Oc1cccnc1)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001593656348 1016933621 /nfs/dbraw/zinc/93/36/21/1016933621.db2.gz YDDPEHFKQLZLHJ-MWLCHTKSSA-N -1 0 307.306 -0.397 20 0 DBADRM CN(CCN(C)C(=O)Cn1ccccc1=O)Cc1n[nH]c(=O)[n-]1 ZINC001420053318 1005061765 /nfs/dbraw/zinc/06/17/65/1005061765.db2.gz FOVULMYATPGGGD-UHFFFAOYSA-N -1 0 320.353 -0.738 20 0 DBADRM C[C@]1(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CCC(=O)NC1 ZINC001593745388 1016934728 /nfs/dbraw/zinc/93/47/28/1016934728.db2.gz MOEHQVSXPHMRHO-KBPBESRZSA-N -1 0 309.322 -0.265 20 0 DBADRM C[C@@]1(C(=O)NC[C@@H](CO)Nc2ccnc(C(=O)[O-])n2)C=CCC1 ZINC001593748766 1016935129 /nfs/dbraw/zinc/93/51/29/1016935129.db2.gz BKPTZHRZYXGHPN-ZUZCIYMTSA-N -1 0 320.349 -0.158 20 0 DBADRM C[C@@]1(C(=O)N2CC[C@](O)(C(=O)[O-])C2)Oc2ccccc2NC1=O ZINC001593745660 1016935273 /nfs/dbraw/zinc/93/52/73/1016935273.db2.gz WJHPJBXSOCTCHQ-HUUCEWRRSA-N -1 0 320.301 -0.176 20 0 DBADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001593690535 1016935812 /nfs/dbraw/zinc/93/58/12/1016935812.db2.gz SLLBAECHBUWSFO-DTWKUNHWSA-N -1 0 315.351 -0.127 20 0 DBADRM C[NH+](C)CCN(CC(=O)[O-])C(=O)c1c[n-]n2c1nccc2=O ZINC001593699228 1016936104 /nfs/dbraw/zinc/93/61/04/1016936104.db2.gz VCIURWJQBFLEDX-UHFFFAOYSA-N -1 0 307.310 -0.889 20 0 DBADRM C[C@]1(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCNC1=O ZINC001593748442 1016936176 /nfs/dbraw/zinc/93/61/76/1016936176.db2.gz SPRPTJFMXLWULY-OTYXRUKQSA-N -1 0 321.337 -0.334 20 0 DBADRM C[C@]1(C(=O)NCCNc2ncc(C(=O)[O-])cn2)CCNC(=O)C1 ZINC001593754247 1016937699 /nfs/dbraw/zinc/93/76/99/1016937699.db2.gz TXKUQCMRTHKCMP-AWEZNQCLSA-N -1 0 321.337 -0.381 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)C1 ZINC001593784415 1016940351 /nfs/dbraw/zinc/94/03/51/1016940351.db2.gz MLPXVANCQJKRIV-HFAKWTLXSA-N -1 0 320.349 -0.261 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)c2coc(CS(C)(=O)=O)n2)C1 ZINC001593808947 1016941846 /nfs/dbraw/zinc/94/18/46/1016941846.db2.gz YGHRWTNSSRSXPG-UHFFFAOYSA-N -1 0 302.308 -0.234 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC001593802993 1016942027 /nfs/dbraw/zinc/94/20/27/1016942027.db2.gz VABYDBNLQGSVFP-UHFFFAOYSA-N -1 0 309.322 -0.216 20 0 DBADRM C[C@]1(C(N)=O)CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC001593815199 1016942148 /nfs/dbraw/zinc/94/21/48/1016942148.db2.gz HMAOCOAEBULKCT-LBPRGKRZSA-N -1 0 313.335 -0.334 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])[C@H]2CCO[C@@H]21 ZINC001593832548 1016942269 /nfs/dbraw/zinc/94/22/69/1016942269.db2.gz HMTOCGNKPCQOTE-ILAIQSSSSA-N -1 0 310.350 -0.247 20 0 DBADRM CC1(C)CC[C@@H]1C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001593883637 1016942942 /nfs/dbraw/zinc/94/29/42/1016942942.db2.gz OABKTACFTSASSL-NXEZZACHSA-N -1 0 322.365 -0.078 20 0 DBADRM CC1(C)CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC[C@@H]1O ZINC001593946538 1016945116 /nfs/dbraw/zinc/94/51/16/1016945116.db2.gz LVBMOPSVTLURLB-QMMMGPOBSA-N -1 0 303.340 -0.111 20 0 DBADRM CC1(C)COC(=O)[C@H]1OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001593952480 1016945154 /nfs/dbraw/zinc/94/51/54/1016945154.db2.gz AZBLZNRXGPPCAO-PSASIEDQSA-N -1 0 313.306 -0.196 20 0 DBADRM CCc1cccnc1C(=O)NCCN(C)Cc1nn(C)c(=O)[n-]1 ZINC001420259372 1005175263 /nfs/dbraw/zinc/17/52/63/1005175263.db2.gz YTLHWJBECSVRCV-UHFFFAOYSA-N -1 0 318.381 -0.072 20 0 DBADRM CN(CCNC(=O)c1ccn(C)c(=O)c1)Cc1n[nH]c(=O)[n-]1 ZINC001420256894 1005175371 /nfs/dbraw/zinc/17/53/71/1005175371.db2.gz UZEPPYYQADAQDH-UHFFFAOYSA-N -1 0 306.326 -0.929 20 0 DBADRM CO[C@@H](C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001420272080 1005180285 /nfs/dbraw/zinc/18/02/85/1005180285.db2.gz WVMNTAHTZXUKEU-LLVKDONJSA-N -1 0 323.357 -0.821 20 0 DBADRM C[C@@]1(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)CCS(=O)(=O)N1 ZINC001593995945 1016946343 /nfs/dbraw/zinc/94/63/43/1016946343.db2.gz BLSZBYPXHRUJIU-SKDRFNHKSA-N -1 0 320.367 -0.840 20 0 DBADRM CC1(C)OCC(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)CO1 ZINC001593976256 1016946448 /nfs/dbraw/zinc/94/64/48/1016946448.db2.gz XXUCBQLMZSDIAL-UHFFFAOYSA-N -1 0 314.338 -0.423 20 0 DBADRM C[C@@]1(CCC(=O)N[C@H](Cn2ccnc2)C(=O)[O-])CCC(=O)N1 ZINC001593999168 1016946649 /nfs/dbraw/zinc/94/66/49/1016946649.db2.gz GBYHUKHDZBXIAI-QMTHXVAHSA-N -1 0 308.338 -0.099 20 0 DBADRM CC1(C)OCC(CO)(NC(=O)c2cc(C(=O)[O-])no2)CO1 ZINC001593974692 1016946769 /nfs/dbraw/zinc/94/67/69/1016946769.db2.gz NSNJNLTVCSGXFR-UHFFFAOYSA-N -1 0 300.267 -0.383 20 0 DBADRM C[C@@]1(CCC(=O)N[C@H](Cn2cncn2)C(=O)[O-])CCC(=O)N1 ZINC001594000109 1016947591 /nfs/dbraw/zinc/94/75/91/1016947591.db2.gz ZQMRCDLYZBDZGV-NOZJJQNGSA-N -1 0 309.326 -0.704 20 0 DBADRM CC1(C)[C@@H](NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CS1(=O)=O ZINC001593988838 1016947633 /nfs/dbraw/zinc/94/76/33/1016947633.db2.gz YUTNGJDIZPPERJ-AEJSXWLSSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@]1(CCC(=O)[O-])NC(=O)N(CCCS(C)(=O)=O)C1=O ZINC001594002651 1016948624 /nfs/dbraw/zinc/94/86/24/1016948624.db2.gz MNOSLLJCJUFTFU-LLVKDONJSA-N -1 0 306.340 -0.404 20 0 DBADRM C[C@@]1(CCCO)CCCN1C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001594007431 1016949592 /nfs/dbraw/zinc/94/95/92/1016949592.db2.gz ZZRMRVQVKXNMMP-ZANVPECISA-N -1 0 304.318 -0.321 20 0 DBADRM NC(=O)C12CCC(CC1)N2C(=O)c1c[n-]n2c1nccc2=O ZINC001420323086 1005213777 /nfs/dbraw/zinc/21/37/77/1005213777.db2.gz DOUIPAQZICGUOY-UHFFFAOYSA-N -1 0 301.306 -0.355 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001420324831 1005215326 /nfs/dbraw/zinc/21/53/26/1005215326.db2.gz IWRXLCCNSFEXLJ-JTQLQIEISA-N -1 0 324.385 -0.683 20 0 DBADRM Cc1cnc(CN(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001420335323 1005221604 /nfs/dbraw/zinc/22/16/04/1005221604.db2.gz JXPPSALXDLLRPL-UHFFFAOYSA-N -1 0 310.314 -0.766 20 0 DBADRM C[C@@]1(CS(=O)(=O)NCC(=O)NCC(=O)[O-])CC1(F)F ZINC001594039476 1016951638 /nfs/dbraw/zinc/95/16/38/1016951638.db2.gz OVUAKLNNBLXZOG-QMMMGPOBSA-N -1 0 300.283 -0.848 20 0 DBADRM CC1(Cn2cc(C(=O)Nc3[nH]cnc3C(=O)[O-])nn2)COC1 ZINC001594044075 1016952323 /nfs/dbraw/zinc/95/23/23/1016952323.db2.gz XBSBYKLLIQWJLL-UHFFFAOYSA-N -1 0 306.282 -0.012 20 0 DBADRM C[C@]1(F)CNCCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001594046777 1016952385 /nfs/dbraw/zinc/95/23/85/1016952385.db2.gz FPDMWHDPDJBUEL-ZDUSSCGKSA-N -1 0 318.349 -0.690 20 0 DBADRM CC1(Cn2cc(C(=O)NC[C@]3(C(=O)[O-])CCOC3)nn2)COC1 ZINC001594043801 1016952432 /nfs/dbraw/zinc/95/24/32/1016952432.db2.gz QUPWFLNSQKRAGU-CQSZACIVSA-N -1 0 324.337 -0.464 20 0 DBADRM C[C@]1(NC(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)CCNC1=O ZINC001594053837 1016952694 /nfs/dbraw/zinc/95/26/94/1016952694.db2.gz ZGSAFCKCCIIDEJ-CLAHSXSESA-N -1 0 321.337 -0.006 20 0 DBADRM CCN(CCNC(=O)C[C@H]1CCC(=O)NC1)Cc1n[nH]c(=O)[n-]1 ZINC001420402977 1005248061 /nfs/dbraw/zinc/24/80/61/1005248061.db2.gz ZXXCICXJPFGXSZ-SNVBAGLBSA-N -1 0 324.385 -0.635 20 0 DBADRM C[C@]1(CO)C[C@@H](O)CN1S(=O)(=O)CCCCCC(=O)[O-] ZINC001594033177 1016953428 /nfs/dbraw/zinc/95/34/28/1016953428.db2.gz VTTBAESTRBHIJC-ZYHUDNBSSA-N -1 0 309.384 -0.221 20 0 DBADRM C[C@@]1(CNc2ncc(C(=O)[O-])cn2)CCN(C(=O)C(N)=O)C1 ZINC001594032588 1016953443 /nfs/dbraw/zinc/95/34/43/1016953443.db2.gz QFTTWPRVNOYTLT-ZDUSSCGKSA-N -1 0 307.310 -0.689 20 0 DBADRM CC1(CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CCOCC1 ZINC001594039464 1016953470 /nfs/dbraw/zinc/95/34/70/1016953470.db2.gz OLCRTZYXXCTZBT-VHSXEESVSA-N -1 0 307.368 -0.035 20 0 DBADRM C[C@@]1(NC(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)CCNC1=O ZINC001594053838 1016953494 /nfs/dbraw/zinc/95/34/94/1016953494.db2.gz ZGSAFCKCCIIDEJ-RMLUDKJBSA-N -1 0 321.337 -0.006 20 0 DBADRM CCN(CCNC(=O)COc1cccnc1)Cc1n[nH]c(=O)[n-]1 ZINC001420430488 1005258327 /nfs/dbraw/zinc/25/83/27/1005258327.db2.gz BSSGFBRLKAYGTI-UHFFFAOYSA-N -1 0 320.353 -0.078 20 0 DBADRM C[C@]1(NC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CCOC1=O ZINC001594051884 1016954208 /nfs/dbraw/zinc/95/42/08/1016954208.db2.gz DRSYEHVSDLCDAR-STQMWFEESA-N -1 0 311.294 -0.293 20 0 DBADRM C[C@@]1(CO)CCCN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001594030723 1016949069 /nfs/dbraw/zinc/94/90/69/1016949069.db2.gz OAPMTZFNBOUFEY-DZUFCKETSA-N -1 0 324.377 -0.025 20 0 DBADRM C[C@@]1(CO)CCCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001594032045 1016949368 /nfs/dbraw/zinc/94/93/68/1016949368.db2.gz LPURGQADXBXWDU-CQSZACIVSA-N -1 0 315.370 -0.229 20 0 DBADRM COc1cccc([C@H](O)C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC001594124194 1016962602 /nfs/dbraw/zinc/96/26/02/1016962602.db2.gz RSCYIUIONRWCCE-AAEUAGOBSA-N -1 0 323.301 -0.043 20 0 DBADRM CC1=C(C(=O)N[C@](C)(C(=O)[O-])C2CC2)Cn2nnnc2N1C ZINC001594092416 1016959589 /nfs/dbraw/zinc/95/95/89/1016959589.db2.gz QJYKSVTXPLTTAW-ZDUSSCGKSA-N -1 0 306.326 -0.234 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1ccc(=O)[nH]n1 ZINC001420527625 1005292584 /nfs/dbraw/zinc/29/25/84/1005292584.db2.gz KPALECGIZKTDBV-ZETCQYMHSA-N -1 0 307.314 -0.744 20 0 DBADRM O=C(CCc1cn[nH]c1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001420546189 1005298506 /nfs/dbraw/zinc/29/85/06/1005298506.db2.gz WKFPFRKBOKSLRG-LLVKDONJSA-N -1 0 319.369 -0.196 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)Cc2nnn(C)n2)c1[O-] ZINC001420551671 1005300627 /nfs/dbraw/zinc/30/06/27/1005300627.db2.gz HFIAOONBSRLOKW-SSDOTTSWSA-N -1 0 308.346 -0.802 20 0 DBADRM Cc1c(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)nnn1C ZINC001420558157 1005302283 /nfs/dbraw/zinc/30/22/83/1005302283.db2.gz KFFVEDXNBSKOTE-SSDOTTSWSA-N -1 0 308.346 -0.802 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001594129300 1016960789 /nfs/dbraw/zinc/96/07/89/1016960789.db2.gz CVZWZYWYDKKGAT-LURJTMIESA-N -1 0 311.319 -0.268 20 0 DBADRM C[C@H]1C(=O)N(C)S(=O)(=O)N1Cc1cnc(C(=O)[O-])cn1 ZINC001594129405 1016961289 /nfs/dbraw/zinc/96/12/89/1016961289.db2.gz RNSDCJFJMCZUSR-LURJTMIESA-N -1 0 300.296 -0.918 20 0 DBADRM C[C@@H](CN(C)Cc1nccs1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001420592181 1005315855 /nfs/dbraw/zinc/31/58/55/1005315855.db2.gz GFZIGFKSJWXKLU-ZETCQYMHSA-N -1 0 324.366 -0.010 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001594129689 1016962143 /nfs/dbraw/zinc/96/21/43/1016962143.db2.gz IUOSGRFJIWAXGG-SECBINFHSA-N -1 0 311.338 -0.953 20 0 DBADRM COc1cccc(CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])n1 ZINC001594128130 1016962262 /nfs/dbraw/zinc/96/22/62/1016962262.db2.gz HGXHSHGPFVKJIB-SECBINFHSA-N -1 0 309.322 -0.115 20 0 DBADRM CCCN(CCNC(=O)c1[nH]nnc1C)Cc1n[nH]c(=O)[n-]1 ZINC001420616068 1005319428 /nfs/dbraw/zinc/31/94/28/1005319428.db2.gz VVSRKJJDJWJRRX-UHFFFAOYSA-N -1 0 308.346 -0.421 20 0 DBADRM C[C@@]12COC[C@@H]1CN(C(=O)C(=O)NC1CC(CC(=O)[O-])C1)C2 ZINC001594088586 1016955851 /nfs/dbraw/zinc/95/58/51/1016955851.db2.gz QZIJOGGMIKAPIQ-SFJPCSRHSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1)C2 ZINC001594087526 1016955863 /nfs/dbraw/zinc/95/58/63/1016955863.db2.gz HYTNWAUPFBRKKC-ZETOZRRWSA-N -1 0 308.334 -0.229 20 0 DBADRM CC1(c2ncc(C(=O)N3CC(O)(C(=O)[O-])C3)s2)OCCO1 ZINC001594080735 1016956048 /nfs/dbraw/zinc/95/60/48/1016956048.db2.gz CRRICHINTNMCKU-UHFFFAOYSA-N -1 0 314.319 -0.366 20 0 DBADRM CC1=C(C(=O)N2CC[C@@H](C(=O)[O-])C2)[C@@H](C)n2nnnc2N1C ZINC001594090463 1016956085 /nfs/dbraw/zinc/95/60/85/1016956085.db2.gz NIZZKPYQSAGKLS-RKDXNWHRSA-N -1 0 306.326 -0.109 20 0 DBADRM C[C@]1(NS(=O)(=O)c2scnc2C(=O)[O-])CCOC1=O ZINC001594065712 1016956447 /nfs/dbraw/zinc/95/64/47/1016956447.db2.gz FFRSCVARXUXKDJ-VIFPVBQESA-N -1 0 306.321 -0.175 20 0 DBADRM CC1=C(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)Cn2nnnc2N1C ZINC001594090390 1016956764 /nfs/dbraw/zinc/95/67/64/1016956764.db2.gz LJNICLBRCCVOLA-IUCAKERBSA-N -1 0 306.326 -0.282 20 0 DBADRM C[C@]12CN(C(=O)CCSCC(=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC001594087190 1016956899 /nfs/dbraw/zinc/95/68/99/1016956899.db2.gz BIJJOHUXLACKJO-CHWSQXEVSA-N -1 0 314.363 -0.295 20 0 DBADRM C[C@@]1(c2nccs2)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC001594080701 1016957021 /nfs/dbraw/zinc/95/70/21/1016957021.db2.gz BEHYJNPTVXLURK-NSHDSACASA-N -1 0 312.307 -0.889 20 0 DBADRM Cc1cc(CN(C)C[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001420669911 1005336125 /nfs/dbraw/zinc/33/61/25/1005336125.db2.gz XJXQMOQTIODMJA-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001420674240 1005339367 /nfs/dbraw/zinc/33/93/67/1005339367.db2.gz UIOQDTFMCAUYOK-QMMMGPOBSA-N -1 0 310.358 -0.898 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCc1cnn(C)c1 ZINC001594138792 1016965243 /nfs/dbraw/zinc/96/52/43/1016965243.db2.gz OWBHCWRPNNPAQC-GXSJLCMTSA-N -1 0 308.338 -0.600 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC001594137780 1016965568 /nfs/dbraw/zinc/96/55/68/1016965568.db2.gz GBCQDIRIKNEWRC-BBBLOLIVSA-N -1 0 311.338 -0.955 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC001594139835 1016965875 /nfs/dbraw/zinc/96/58/75/1016965875.db2.gz WEBZZHSJWZXWBQ-MJIVVXSKSA-N -1 0 322.361 -0.152 20 0 DBADRM COc1cnc(NC(=O)C(=O)N([C@@H](C)C(=O)[O-])C2CC2)nc1 ZINC001594154517 1016967512 /nfs/dbraw/zinc/96/75/12/1016967512.db2.gz BHQHGDAYKOXUNW-ZETCQYMHSA-N -1 0 308.294 -0.112 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001594147639 1016968637 /nfs/dbraw/zinc/96/86/37/1016968637.db2.gz SRCINPHHDGUSTL-NXEZZACHSA-N -1 0 308.338 -0.297 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NCC(=O)N=S(C)(C)=O ZINC001594149339 1016968860 /nfs/dbraw/zinc/96/88/60/1016968860.db2.gz JUMLVGKTUUJELO-HTQZYQBOSA-N -1 0 305.356 -0.255 20 0 DBADRM C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001594154148 1016969016 /nfs/dbraw/zinc/96/90/16/1016969016.db2.gz VJNOPELJUFPLGS-AATLWQCWSA-N -1 0 304.368 -0.076 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC001594156643 1016969813 /nfs/dbraw/zinc/96/98/13/1016969813.db2.gz NRDLHFACPSBUGA-RKDXNWHRSA-N -1 0 324.341 -0.307 20 0 DBADRM CS(=O)(=O)CCCCCNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001594165519 1016972720 /nfs/dbraw/zinc/97/27/20/1016972720.db2.gz SOAWZTVOSBVSAV-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001594164395 1016972742 /nfs/dbraw/zinc/97/27/42/1016972742.db2.gz UXHGMBHGNIUIHN-JOYOIKCWSA-N -1 0 305.352 -0.487 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)nc1 ZINC001594155331 1016970154 /nfs/dbraw/zinc/97/01/54/1016970154.db2.gz WBORLWLRROVKKN-SCZZXKLOSA-N -1 0 322.321 -0.007 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC001594162224 1016970295 /nfs/dbraw/zinc/97/02/95/1016970295.db2.gz NIDPZALQPPJBNL-HTQZYQBOSA-N -1 0 317.305 -0.237 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001594161295 1016970393 /nfs/dbraw/zinc/97/03/93/1016970393.db2.gz OFUNMRXYMMVZCV-ZETCQYMHSA-N -1 0 310.310 -0.169 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC001594156640 1016970430 /nfs/dbraw/zinc/97/04/30/1016970430.db2.gz NRDLHFACPSBUGA-BDAKNGLRSA-N -1 0 324.341 -0.307 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC001594162227 1016970782 /nfs/dbraw/zinc/97/07/82/1016970782.db2.gz NIDPZALQPPJBNL-YUMQZZPRSA-N -1 0 317.305 -0.237 20 0 DBADRM COc1cncc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC001594155205 1016971021 /nfs/dbraw/zinc/97/10/21/1016971021.db2.gz UPXAJOPQXJXASY-BDAKNGLRSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1ncccc1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594159121 1016971097 /nfs/dbraw/zinc/97/10/97/1016971097.db2.gz FTTIEXYRUHZSOG-JTQLQIEISA-N -1 0 300.336 -0.226 20 0 DBADRM COc1ncc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])s1 ZINC001594157150 1016971253 /nfs/dbraw/zinc/97/12/53/1016971253.db2.gz MVUMCJKLSOGQKB-QMMMGPOBSA-N -1 0 306.365 -0.165 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001594162009 1016971453 /nfs/dbraw/zinc/97/14/53/1016971453.db2.gz VSNBSGUNXYIECA-BDAKNGLRSA-N -1 0 324.337 -0.064 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)nc1 ZINC001594155333 1016971646 /nfs/dbraw/zinc/97/16/46/1016971646.db2.gz WBORLWLRROVKKN-WPRPVWTQSA-N -1 0 322.321 -0.007 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCC(=O)[O-])C1 ZINC001594163971 1016973298 /nfs/dbraw/zinc/97/32/98/1016973298.db2.gz IWMSBBMYNRFSOL-RKDXNWHRSA-N -1 0 320.367 -0.951 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594164332 1016973897 /nfs/dbraw/zinc/97/38/97/1016973897.db2.gz SGXUAWTYAHLNOV-RYEJSQLPSA-N -1 0 317.319 -0.487 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1 ZINC001594163723 1016974313 /nfs/dbraw/zinc/97/43/13/1016974313.db2.gz KCNRGYAJKMXWOM-SSDOTTSWSA-N -1 0 301.324 -0.385 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)c2cc(C(=O)[O-])n[nH]2)C1 ZINC001594169722 1016975172 /nfs/dbraw/zinc/97/51/72/1016975172.db2.gz HKKGBHKJQSZIJR-ZETCQYMHSA-N -1 0 316.339 -0.738 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001594170321 1016975329 /nfs/dbraw/zinc/97/53/29/1016975329.db2.gz XQRKSGBKUBXCGC-SKDRFNHKSA-N -1 0 320.367 -0.840 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC001594170280 1016975570 /nfs/dbraw/zinc/97/55/70/1016975570.db2.gz JZRQCCVUPDBTJD-GFCCVEGCSA-N -1 0 302.352 -0.443 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)c2cc(C(=O)[O-])n[nH]2)C1 ZINC001594169721 1016975867 /nfs/dbraw/zinc/97/58/67/1016975867.db2.gz HKKGBHKJQSZIJR-SSDOTTSWSA-N -1 0 316.339 -0.738 20 0 DBADRM CS(=O)(=O)Nc1ccc(C(=O)OCC(=O)C(=O)[O-])cc1 ZINC001594169484 1016976230 /nfs/dbraw/zinc/97/62/30/1016976230.db2.gz PDOXWZNEZKHPOR-UHFFFAOYSA-N -1 0 301.276 -0.131 20 0 DBADRM CS(=O)(=O)NCC1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC001594170276 1016976372 /nfs/dbraw/zinc/97/63/72/1016976372.db2.gz JZIOXVQTVPDWOU-LLVKDONJSA-N -1 0 318.395 -0.115 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)COCC(=O)[O-] ZINC001594169842 1016976855 /nfs/dbraw/zinc/97/68/55/1016976855.db2.gz BRHUBQQAIDYSHV-UWVGGRQHSA-N -1 0 322.383 -0.688 20 0 DBADRM CS(=O)(=O)N1CCC2(CC1)NC(C1(C(=O)[O-])CCC1)=NO2 ZINC001594169922 1016977265 /nfs/dbraw/zinc/97/72/65/1016977265.db2.gz NUMQJTWFHPSMKN-UHFFFAOYSA-N -1 0 317.367 -0.074 20 0 DBADRM C[C@@H]1[C@H](C)N(C)CCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001594177592 1016979020 /nfs/dbraw/zinc/97/90/20/1016979020.db2.gz ZYFFRHRBUGFEGQ-JGVFFNPUSA-N -1 0 302.356 -0.179 20 0 DBADRM C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)NCCOCC(=O)[O-] ZINC001594176841 1016978128 /nfs/dbraw/zinc/97/81/28/1016978128.db2.gz NCAFPMHLBKCBPB-KXUCPTDWSA-N -1 0 301.343 -0.263 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1nnnn1CCCN1CCCC1=O ZINC001594174620 1016978214 /nfs/dbraw/zinc/97/82/14/1016978214.db2.gz SEUAZBZUHSATSU-GHMZBOCLSA-N -1 0 322.369 -0.015 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])o1 ZINC001594175367 1016978581 /nfs/dbraw/zinc/97/85/81/1016978581.db2.gz ZOJUSEHXHLXMKE-ZETCQYMHSA-N -1 0 303.292 -0.391 20 0 DBADRM C[C@@H]1[C@@H](C)N(C(=O)NCCOCC(=O)[O-])[C@@H](C)C(=O)N1C ZINC001594176840 1016979542 /nfs/dbraw/zinc/97/95/42/1016979542.db2.gz NCAFPMHLBKCBPB-BBBLOLIVSA-N -1 0 301.343 -0.263 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)O[C@H]1C(=O)[O-] ZINC001594179676 1016980941 /nfs/dbraw/zinc/98/09/41/1016980941.db2.gz ODARNPWPKQJCHE-ISUQUUIWSA-N -1 0 319.379 -0.101 20 0 DBADRM CSC[C@H](CCO)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001594184982 1016981492 /nfs/dbraw/zinc/98/14/92/1016981492.db2.gz TZPXORYRCUTBET-IUCAKERBSA-N -1 0 312.413 -0.516 20 0 DBADRM CSc1c(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)cnn1C ZINC001594189182 1016982310 /nfs/dbraw/zinc/98/23/10/1016982310.db2.gz UKORWPZTGSRAQG-QMMMGPOBSA-N -1 0 313.335 -0.016 20 0 DBADRM C[S@](=O)[C@@H]1CC[C@H](NC(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001594178802 1016982370 /nfs/dbraw/zinc/98/23/70/1016982370.db2.gz NZVPPJHFXRDSQL-UAXAAPNGSA-N -1 0 300.340 -0.608 20 0 DBADRM CS[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001594181598 1016982698 /nfs/dbraw/zinc/98/26/98/1016982698.db2.gz QNUNWSMOGBXDPY-MRVPVSSYSA-N -1 0 312.351 -0.130 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)Cn2cc(C(=O)[O-])cn2)CCS1(=O)=O ZINC001594179839 1016983066 /nfs/dbraw/zinc/98/30/66/1016983066.db2.gz RIDMCSLQHIVHCB-DTWKUNHWSA-N -1 0 315.351 -0.385 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])[C@@H](C)O1 ZINC001594201224 1016983731 /nfs/dbraw/zinc/98/37/31/1016983731.db2.gz CYSUONSKYMZJHW-DBIOUOCHSA-N -1 0 319.379 -0.100 20 0 DBADRM C[C@@H](NC(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1)C(=O)[O-] ZINC001594201931 1016984998 /nfs/dbraw/zinc/98/49/98/1016984998.db2.gz MMBJBXYTFCJVOI-MRVPVSSYSA-N -1 0 322.321 -0.114 20 0 DBADRM C[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CCCO2)C[C@H]1CS(N)(=O)=O ZINC001594221786 1016986160 /nfs/dbraw/zinc/98/61/60/1016986160.db2.gz OLWKHHNEVNKDHJ-PTRXPTGYSA-N -1 0 320.367 -0.997 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001594223910 1016986429 /nfs/dbraw/zinc/98/64/29/1016986429.db2.gz WAPIVYDFRMWKQY-ICCXJUOJSA-N -1 0 317.363 -0.487 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCN1CCOC1=O ZINC001594220434 1016986978 /nfs/dbraw/zinc/98/69/78/1016986978.db2.gz MJZJYTOXBIDNAK-RKDXNWHRSA-N -1 0 306.340 -0.294 20 0 DBADRM C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])O1 ZINC001594215934 1016987448 /nfs/dbraw/zinc/98/74/48/1016987448.db2.gz CHPBMLRYVXHXGE-XNDJQWLSSA-N -1 0 319.379 -0.100 20 0 DBADRM C[C@@]12C(=O)N(CN3CCO[C@H](C(=O)[O-])C3)C(=O)[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC001594230792 1016987468 /nfs/dbraw/zinc/98/74/68/1016987468.db2.gz ANYWCTCOCOJDLI-VZTWBHMWSA-N -1 0 320.345 -0.074 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001594220506 1016987665 /nfs/dbraw/zinc/98/76/65/1016987665.db2.gz SVANPZNVCKKQRK-OUAUKWLOSA-N -1 0 306.384 -0.416 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC001594225196 1016987994 /nfs/dbraw/zinc/98/79/94/1016987994.db2.gz DVSPWWAAGMDHKU-COMAGPEQSA-N -1 0 318.395 -0.069 20 0 DBADRM C[C@@H]1C[C@@H](C)[C@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)O1 ZINC001594219854 1016988027 /nfs/dbraw/zinc/98/80/27/1016988027.db2.gz RZVJBBFUAUGRNF-OAZVDXGHSA-N -1 0 319.379 -0.196 20 0 DBADRM C[C@@H]1C[C@H](C)[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])O1 ZINC001594215931 1016988059 /nfs/dbraw/zinc/98/80/59/1016988059.db2.gz CHPBMLRYVXHXGE-BTQIBKBOSA-N -1 0 319.379 -0.100 20 0 DBADRM C[C@@H]1C[C@H](C)[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])O1 ZINC001594217132 1016988103 /nfs/dbraw/zinc/98/81/03/1016988103.db2.gz OXPPZGKUQPPRTH-SGIHWFKDSA-N -1 0 305.352 -0.490 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC001594226068 1016988507 /nfs/dbraw/zinc/98/85/07/1016988507.db2.gz HDVLSPMROMYQOT-LNLATYFQSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CCS1(=O)=O ZINC001594245239 1016990291 /nfs/dbraw/zinc/99/02/91/1016990291.db2.gz GWTINTWJDYYGGY-AXFHLTTASA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccccc1CC(=O)[O-])C(=O)N(C)C ZINC001594233211 1016990444 /nfs/dbraw/zinc/99/04/44/1016990444.db2.gz NTMGUFDQFRGYJN-VIFPVBQESA-N -1 0 321.333 -0.155 20 0 DBADRM C[C@H](O)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC001594241714 1016990594 /nfs/dbraw/zinc/99/05/94/1016990594.db2.gz BUFGTUDBDNHHLW-DLOVCJGASA-N -1 0 306.318 -0.090 20 0 DBADRM C[C@@H]1C[C@H](CNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CCO1 ZINC001594238675 1016990713 /nfs/dbraw/zinc/99/07/13/1016990713.db2.gz DQVFFTZIUUARCM-RKDXNWHRSA-N -1 0 324.337 -0.012 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)CC1 ZINC001594243409 1016990740 /nfs/dbraw/zinc/99/07/40/1016990740.db2.gz VWKDEHVBIJXVLZ-NSHDSACASA-N -1 0 323.349 -0.929 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@H](C)N1C ZINC001594245436 1016990956 /nfs/dbraw/zinc/99/09/56/1016990956.db2.gz PKVFBXUALGSCDS-AOOOYVTPSA-N -1 0 323.353 -0.543 20 0 DBADRM C[C@H]1C[C@H](CO)CN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001594243773 1016990999 /nfs/dbraw/zinc/99/09/99/1016990999.db2.gz PTJNJRNLJLQFMQ-QWRGUYRKSA-N -1 0 315.370 -0.373 20 0 DBADRM C[C@H](NC(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1)C(=O)[O-] ZINC001594238231 1016991288 /nfs/dbraw/zinc/99/12/88/1016991288.db2.gz SMGVPVLXVDHYDI-QMMMGPOBSA-N -1 0 310.314 -0.497 20 0 DBADRM C[C@]12CN(C(=O)[C@@H](C(=O)[O-])C3CC3)C[C@H]1CS(=O)(=O)C2 ZINC001594247099 1016992749 /nfs/dbraw/zinc/99/27/49/1016992749.db2.gz JELNUZIUJXTFMW-OUJBWJOFSA-N -1 0 301.364 -0.010 20 0 DBADRM Cc1c(C(=O)N2CCC[C@@H]2C(=O)[O-])nnn1-c1cnn(C)c1 ZINC001594256495 1016993358 /nfs/dbraw/zinc/99/33/58/1016993358.db2.gz FQIFUJMLBAFOHZ-SNVBAGLBSA-N -1 0 304.310 -0.002 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2cnc(C(=O)[O-])cn2)CCS1(=O)=O ZINC001594262783 1016995379 /nfs/dbraw/zinc/99/53/79/1016995379.db2.gz YZLQSKMPEPNPEC-SFYZADRCSA-N -1 0 313.335 -0.130 20 0 DBADRM Cc1c(CC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cnn1C ZINC001594259865 1016995437 /nfs/dbraw/zinc/99/54/37/1016995437.db2.gz YEKHCQUMTVUDIQ-LBPRGKRZSA-N -1 0 322.365 -0.147 20 0 DBADRM C[C@@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001594358132 1016999459 /nfs/dbraw/zinc/99/94/59/1016999459.db2.gz VBXJIFHOVJBUMO-CLAHSXSESA-N -1 0 324.337 -0.276 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)Cn2cc(C(=O)[O-])nn2)CS1(=O)=O ZINC001594315176 1017000068 /nfs/dbraw/zinc/00/00/68/1017000068.db2.gz VBLUXDGONFJEKY-JGVFFNPUSA-N -1 0 316.339 -0.942 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)Cn2cc(C(=O)[O-])cn2)CS1(=O)=O ZINC001594313464 1017000357 /nfs/dbraw/zinc/00/03/57/1017000357.db2.gz JWWIESWQZWSESH-WPRPVWTQSA-N -1 0 315.351 -0.337 20 0 DBADRM C[C@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001594358134 1017000446 /nfs/dbraw/zinc/00/04/46/1017000446.db2.gz VBXJIFHOVJBUMO-RTHLEPHNSA-N -1 0 324.337 -0.276 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)CC(N)=O)CN1c1ncc(C(=O)[O-])cn1 ZINC001594315244 1017000631 /nfs/dbraw/zinc/00/06/31/1017000631.db2.gz VWEUNXAIKRZSHF-WPRPVWTQSA-N -1 0 321.337 -0.476 20 0 DBADRM C[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001594278089 1016995890 /nfs/dbraw/zinc/99/58/90/1016995890.db2.gz LOBOHHPFRMPEGX-BBBLOLIVSA-N -1 0 321.337 -0.478 20 0 DBADRM C[C@H]1C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])c2ncnn21 ZINC001594263545 1016995983 /nfs/dbraw/zinc/99/59/83/1016995983.db2.gz AJSBEWCDGSLGFD-JGVFFNPUSA-N -1 0 303.344 -0.475 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1=O ZINC001594277404 1016996195 /nfs/dbraw/zinc/99/61/95/1016996195.db2.gz PPZOSTQMAWLOKS-KCRWSQEUSA-N -1 0 310.350 -0.010 20 0 DBADRM C[C@@H]1C[C@H](O)CN1C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001594267604 1016996550 /nfs/dbraw/zinc/99/65/50/1016996550.db2.gz ZAPFQXINYNXVGZ-SCZZXKLOSA-N -1 0 324.337 -0.377 20 0 DBADRM C[C@@H]1C[C@H](S(=O)(=O)NCCC(=O)NCCC(=O)[O-])CCO1 ZINC001594265588 1016997016 /nfs/dbraw/zinc/99/70/16/1016997016.db2.gz GKPDCYWBYCJHDK-NXEZZACHSA-N -1 0 322.383 -0.546 20 0 DBADRM Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001594268991 1016997051 /nfs/dbraw/zinc/99/70/51/1016997051.db2.gz DQUIQUAJMDVHAM-SECBINFHSA-N -1 0 322.321 -0.570 20 0 DBADRM C[C@@H]1C[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C(=O)O1 ZINC001594264406 1016997627 /nfs/dbraw/zinc/99/76/27/1016997627.db2.gz QHRMIHKNSYQXAP-VXNVDRBHSA-N -1 0 306.340 -0.679 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)C2(C(=O)[O-])CCC2)CC1=O ZINC001594276379 1016997899 /nfs/dbraw/zinc/99/78/99/1016997899.db2.gz CNUWGKBNRLHBSO-KXUCPTDWSA-N -1 0 316.379 -0.078 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001594376581 1016998544 /nfs/dbraw/zinc/99/85/44/1016998544.db2.gz VHEAANYZVLMGTH-ZYHUDNBSSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CC[C@@H](N2C(=O)N[C@H](CCC(=O)[O-])C2=O)CS1(=O)=O ZINC001594309689 1016998663 /nfs/dbraw/zinc/99/86/63/1016998663.db2.gz CJCBOHJHTSDYSO-IWSPIJDZSA-N -1 0 318.351 -0.263 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)CC(N)=O)CN1c1ncc(C(=O)[O-])cn1 ZINC001594315241 1016998732 /nfs/dbraw/zinc/99/87/32/1016998732.db2.gz VWEUNXAIKRZSHF-SCZZXKLOSA-N -1 0 321.337 -0.476 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)[C@H]1CCC[C@@H](C)C1 ZINC001594356545 1016998744 /nfs/dbraw/zinc/99/87/44/1016998744.db2.gz WZCZXWRYGRILPC-VWYCJHECSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)Cn2cc(C(=O)[O-])cn2)CS1(=O)=O ZINC001594313462 1016999246 /nfs/dbraw/zinc/99/92/46/1016999246.db2.gz JWWIESWQZWSESH-WCBMZHEXSA-N -1 0 315.351 -0.337 20 0 DBADRM C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001594367561 1016999341 /nfs/dbraw/zinc/99/93/41/1016999341.db2.gz VMZACHRAZAZHSU-KKOKHZNYSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001594358133 1017001089 /nfs/dbraw/zinc/00/10/89/1017001089.db2.gz VBXJIFHOVJBUMO-RMLUDKJBSA-N -1 0 324.337 -0.276 20 0 DBADRM Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001594378495 1017002251 /nfs/dbraw/zinc/00/22/51/1017002251.db2.gz FILKKAZYICSFHR-GFCCVEGCSA-N -1 0 316.335 -0.792 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597983290 1017225061 /nfs/dbraw/zinc/22/50/61/1017225061.db2.gz YXISZAZEUBNDIG-TVLCNXBWSA-N -1 0 311.338 -0.968 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCC(=O)NCCC(=O)[O-])[C@H]1C ZINC001594392605 1017003804 /nfs/dbraw/zinc/00/38/04/1017003804.db2.gz HUJDAFJIBDUYFK-UWVGGRQHSA-N -1 0 313.354 -0.660 20 0 DBADRM Cc1cccc(CCn2nnnc2N2CCO[C@H](C(=O)[O-])C2)n1 ZINC001594403960 1017004655 /nfs/dbraw/zinc/00/46/55/1017004655.db2.gz HTIDTPAMTOKXFI-LBPRGKRZSA-N -1 0 318.337 -0.091 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C)CC2)C[C@@H](C(=O)[O-])O1 ZINC001594394912 1017004983 /nfs/dbraw/zinc/00/49/83/1017004983.db2.gz XUIGOWRDOVZYQO-AXFHLTTASA-N -1 0 314.338 -0.676 20 0 DBADRM Cc1cccc([C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C(=O)[O-])c1 ZINC001594398220 1017006601 /nfs/dbraw/zinc/00/66/01/1017006601.db2.gz SEXSPCBPUJFCQD-LLVKDONJSA-N -1 0 317.305 -0.372 20 0 DBADRM C[C@@H]1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C[C@@H]1CO ZINC001594401002 1017007577 /nfs/dbraw/zinc/00/75/77/1017007577.db2.gz POBCXSSFNJVBSV-UTUOFQBUSA-N -1 0 312.366 -0.214 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001594421104 1017007736 /nfs/dbraw/zinc/00/77/36/1017007736.db2.gz FDRJDKKXEUNAQQ-SECBINFHSA-N -1 0 307.306 -0.292 20 0 DBADRM Cc1cnccc1CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001594434013 1017008362 /nfs/dbraw/zinc/00/83/62/1017008362.db2.gz RJRIATAXTOECBO-UHFFFAOYSA-N -1 0 317.305 -0.074 20 0 DBADRM Cc1ccn(CC(=O)OCCc2cn(CC(=O)[O-])nn2)c(=O)c1 ZINC001594421615 1017008468 /nfs/dbraw/zinc/00/84/68/1017008468.db2.gz PILAXYNYXUQHHK-UHFFFAOYSA-N -1 0 320.305 -0.381 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001594427749 1017008819 /nfs/dbraw/zinc/00/88/19/1017008819.db2.gz RTZSEECOVSEIMX-CABZTGNLSA-N -1 0 317.367 -0.122 20 0 DBADRM Cc1cnc(OC2CCN(CC(=O)NCC(=O)[O-])CC2)nc1 ZINC001594430683 1017009808 /nfs/dbraw/zinc/00/98/08/1017009808.db2.gz VOPSYONHKFWAAZ-UHFFFAOYSA-N -1 0 308.338 -0.171 20 0 DBADRM Cc1cnc(CCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC001594426943 1017010076 /nfs/dbraw/zinc/01/00/76/1017010076.db2.gz DJCPCTPZRPOJLS-JTQLQIEISA-N -1 0 306.322 -0.623 20 0 DBADRM C[C@@H]1CCN(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1=O ZINC001594423541 1017010196 /nfs/dbraw/zinc/01/01/96/1017010196.db2.gz YMXQDNCFQNELRI-ZJUUUORDSA-N -1 0 304.368 -0.614 20 0 DBADRM Cc1cnccc1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001594433510 1017010358 /nfs/dbraw/zinc/01/03/58/1017010358.db2.gz AKRIZNOKLYNIGW-NSHDSACASA-N -1 0 307.306 -0.682 20 0 DBADRM C[C@@H]1CCN(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1=O ZINC001594423535 1017010764 /nfs/dbraw/zinc/01/07/64/1017010764.db2.gz YMXQDNCFQNELRI-NXEZZACHSA-N -1 0 304.368 -0.614 20 0 DBADRM Cc1nc(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001594446509 1017011265 /nfs/dbraw/zinc/01/12/65/1017011265.db2.gz WAKSMWCDSDQAEO-APPZFPTMSA-N -1 0 319.325 -0.123 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1occc1C(=O)[O-] ZINC001594439852 1017011757 /nfs/dbraw/zinc/01/17/57/1017011757.db2.gz XCTDESLMIPSFGY-XPUUQOCRSA-N -1 0 302.308 -0.219 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)Cn1nccn1 ZINC001496711879 1017012233 /nfs/dbraw/zinc/01/22/33/1017012233.db2.gz SKEUJMBKURCGMQ-UHFFFAOYSA-N -1 0 321.341 -0.706 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594439870 1017012286 /nfs/dbraw/zinc/01/22/86/1017012286.db2.gz XOJVRPNRRPVRDH-QPUJVOFHSA-N -1 0 306.322 -0.168 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)nn1C ZINC001594457004 1017018713 /nfs/dbraw/zinc/01/87/13/1017018713.db2.gz TWLRCQKIFMMGJI-VXNVDRBHSA-N -1 0 309.326 -0.369 20 0 DBADRM Cc1nc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)nn1-c1nc[nH]n1 ZINC001594446511 1017012866 /nfs/dbraw/zinc/01/28/66/1017012866.db2.gz WAKSMWCDSDQAEO-IONNQARKSA-N -1 0 319.325 -0.123 20 0 DBADRM Cc1nc(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001594446512 1017013343 /nfs/dbraw/zinc/01/33/43/1017013343.db2.gz WAKSMWCDSDQAEO-VXNVDRBHSA-N -1 0 319.325 -0.123 20 0 DBADRM CCc1c[nH]c(CC(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001496718131 1017013672 /nfs/dbraw/zinc/01/36/72/1017013672.db2.gz IBQLKKXRJLVSTK-UHFFFAOYSA-N -1 0 321.385 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)c2cnn(C)c2)CCN1CCC(=O)[O-] ZINC001594458111 1017018870 /nfs/dbraw/zinc/01/88/70/1017018870.db2.gz DVOWXHLKDVRQBT-SNVBAGLBSA-N -1 0 308.338 -0.390 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC[C@@H]1O ZINC001594455511 1017015821 /nfs/dbraw/zinc/01/58/21/1017015821.db2.gz UQFBWHAAZGZMQP-YRORDHRNSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)CC(=O)N1C ZINC001594453174 1017015969 /nfs/dbraw/zinc/01/59/69/1017015969.db2.gz FRZDTTRAVASFNZ-IDKOKCKLSA-N -1 0 311.338 -0.955 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN(C(=O)C2CCC2)C1 ZINC001428839264 1006068705 /nfs/dbraw/zinc/06/87/05/1006068705.db2.gz DDOXSZUYKVPGTE-SECBINFHSA-N -1 0 323.353 -0.546 20 0 DBADRM C[C@H]1CN(C(=O)CSCC(N)=O)CCN1CCC(=O)[O-] ZINC001594468753 1017020495 /nfs/dbraw/zinc/02/04/95/1017020495.db2.gz PZSQASYLZDKARK-VIFPVBQESA-N -1 0 303.384 -0.788 20 0 DBADRM Cc1nc2ncnn2c(C)c1CCC(=O)OCC(=O)C(=O)[O-] ZINC001594468612 1017021792 /nfs/dbraw/zinc/02/17/92/1017021792.db2.gz SZEPQYHQWZPJEL-UHFFFAOYSA-N -1 0 306.278 -0.129 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)CCS(=O)(=O)C1 ZINC001594470158 1017022562 /nfs/dbraw/zinc/02/25/62/1017022562.db2.gz CZRKHGJXTKQXNY-SECBINFHSA-N -1 0 315.351 -0.526 20 0 DBADRM C[C@@H]1CN(C(=O)NC2CC(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001594470190 1017023125 /nfs/dbraw/zinc/02/31/25/1017023125.db2.gz FBBWKDYBGRCVOH-XNWIYYODSA-N -1 0 304.368 -0.074 20 0 DBADRM O=C(NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C(F)F ZINC001428906658 1006120760 /nfs/dbraw/zinc/12/07/60/1006120760.db2.gz SGSKHCLLXFVUJO-YFKPBYRVSA-N -1 0 317.252 -0.874 20 0 DBADRM C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001594466803 1017023805 /nfs/dbraw/zinc/02/38/05/1017023805.db2.gz PVFAYUVCJPOBNI-WPRPVWTQSA-N -1 0 321.337 -0.443 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)[C@H](C)CN1CCO ZINC001594471199 1017024782 /nfs/dbraw/zinc/02/47/82/1017024782.db2.gz UJLVCIZMRUEBRJ-GHMZBOCLSA-N -1 0 310.354 -0.505 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C[C@H](C)S1(=O)=O ZINC001594474290 1017024959 /nfs/dbraw/zinc/02/49/59/1017024959.db2.gz DYBHWBJAMBOHMR-UTINFBMNSA-N -1 0 304.368 -0.076 20 0 DBADRM Cc1nccn1CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001594472022 1017025513 /nfs/dbraw/zinc/02/55/13/1017025513.db2.gz YJRGIZQZSGVBRE-LLVKDONJSA-N -1 0 308.338 -0.369 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@]2(CCCOC2)O1 ZINC001594471528 1017026053 /nfs/dbraw/zinc/02/60/53/1017026053.db2.gz XTXBIXDVRKLUDA-HZMBPMFUSA-N -1 0 324.337 -0.227 20 0 DBADRM Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001594482509 1017026917 /nfs/dbraw/zinc/02/69/17/1017026917.db2.gz YRBMTCPXZUUNJZ-SNVBAGLBSA-N -1 0 308.338 -0.414 20 0 DBADRM Cc1nn2cccnc2c1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC001594489725 1017027470 /nfs/dbraw/zinc/02/74/70/1017027470.db2.gz NBLBOOPSAXMAAM-UHFFFAOYSA-N -1 0 301.266 -0.034 20 0 DBADRM Cc1nn(CCS(=O)(=O)N2CC[C@](C)(C(=O)[O-])C2)c(=O)o1 ZINC001594489111 1017027486 /nfs/dbraw/zinc/02/74/86/1017027486.db2.gz QOHRVAGWILSABZ-NSHDSACASA-N -1 0 319.339 -0.729 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)O[C@H]1C(=O)[O-] ZINC001594485654 1017028053 /nfs/dbraw/zinc/02/80/53/1017028053.db2.gz MSGKAOGPTTYSHO-UJPOAAIJSA-N -1 0 314.382 -0.222 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)o1 ZINC001594490910 1017028708 /nfs/dbraw/zinc/02/87/08/1017028708.db2.gz UYNHDFIBAUWAQY-VXNVDRBHSA-N -1 0 310.310 -0.122 20 0 DBADRM O=C(c1ccco1)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001440544721 1006185962 /nfs/dbraw/zinc/18/59/62/1006185962.db2.gz YGXIHSWVRYRECK-CQSZACIVSA-N -1 0 321.337 -0.140 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001440548953 1006189606 /nfs/dbraw/zinc/18/96/06/1006189606.db2.gz NUGOZDZHPGBGGJ-BHDSKKPTSA-N -1 0 309.370 -0.391 20 0 DBADRM Cc1nnc(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)s1 ZINC001594491211 1017030183 /nfs/dbraw/zinc/03/01/83/1017030183.db2.gz LBQNPPWSJLQGKW-MRVPVSSYSA-N -1 0 312.351 -0.214 20 0 DBADRM CC[C@H](C)C(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001429064166 1006205313 /nfs/dbraw/zinc/20/53/13/1006205313.db2.gz HTVJBAJHKNDURW-XHNCKOQMSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001429064164 1006208156 /nfs/dbraw/zinc/20/81/56/1006208156.db2.gz HTVJBAJHKNDURW-HLTSFMKQSA-N -1 0 323.353 -0.047 20 0 DBADRM CCC(=O)N[C@H](C)CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001429068947 1006211544 /nfs/dbraw/zinc/21/15/44/1006211544.db2.gz PAZQNCGVAOUVJH-MRVPVSSYSA-N -1 0 311.342 -0.364 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001594501075 1017031801 /nfs/dbraw/zinc/03/18/01/1017031801.db2.gz ZECBKFWUHDBGTC-VIFPVBQESA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1occc1C(=O)[O-] ZINC001594499190 1017031908 /nfs/dbraw/zinc/03/19/08/1017031908.db2.gz LMIDPSFUSUKNJS-SSDOTTSWSA-N -1 0 302.308 -0.171 20 0 DBADRM C[C@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])n2)CC(=O)N1C ZINC001594505168 1017032518 /nfs/dbraw/zinc/03/25/18/1017032518.db2.gz APBSMBHJXHLYBB-VIFPVBQESA-N -1 0 306.322 -0.119 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)CCCC(N)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001440652860 1006248968 /nfs/dbraw/zinc/24/89/68/1006248968.db2.gz MLYNXSMOUSOGOE-NXEZZACHSA-N -1 0 324.385 -0.365 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001594501074 1017034476 /nfs/dbraw/zinc/03/44/76/1017034476.db2.gz ZECBKFWUHDBGTC-SECBINFHSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC001594515736 1017037890 /nfs/dbraw/zinc/03/78/90/1017037890.db2.gz QMHOCOGNOCXNRV-MNOVXSKESA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@@H](C(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001429216688 1006291171 /nfs/dbraw/zinc/29/11/71/1006291171.db2.gz FAOVZDAYWCNIOM-SECBINFHSA-N -1 0 322.365 -0.280 20 0 DBADRM C[C@@H]1CN([C@H]2CCCN(CCC(=O)[O-])C2=O)C[C@@H](CO)O1 ZINC001594509256 1017040237 /nfs/dbraw/zinc/04/02/37/1017040237.db2.gz XPXVEQPCMCFBET-WOPDTQHZSA-N -1 0 300.355 -0.466 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)N1CCOCC1 ZINC001594526035 1017043975 /nfs/dbraw/zinc/04/39/75/1017043975.db2.gz QIVNTCWVEIMOME-LLVKDONJSA-N -1 0 321.399 -0.956 20 0 DBADRM C[C@@H]1CN(CCNS(=O)(=O)CC(C)(C)C(=O)[O-])CCO1 ZINC001594531011 1017040995 /nfs/dbraw/zinc/04/09/95/1017040995.db2.gz GJPJZBRDTWKLJQ-SNVBAGLBSA-N -1 0 308.400 -0.263 20 0 DBADRM C[C@@H]1CN(CCO)CCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001594531276 1017041443 /nfs/dbraw/zinc/04/14/43/1017041443.db2.gz ISRJFBCBGJZYPU-SNVBAGLBSA-N -1 0 306.384 -0.678 20 0 DBADRM C[C@H]1CN(CCNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCO1 ZINC001594528203 1017042235 /nfs/dbraw/zinc/04/22/35/1017042235.db2.gz SPLIMKOTJZRUAS-QJPTWQEYSA-N -1 0 315.370 -0.504 20 0 DBADRM C[C@@H]1CN(CCO)CCN1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001594530870 1017043719 /nfs/dbraw/zinc/04/37/19/1017043719.db2.gz DUJRYNZRNIKSLZ-IJLUTSLNSA-N -1 0 315.370 -0.816 20 0 DBADRM C[C@H]1CN(CCO)CCN1S(=O)(=O)CCCCCC(=O)[O-] ZINC001594532252 1017044020 /nfs/dbraw/zinc/04/40/20/1017044020.db2.gz VPQSYKKPYGOMAW-LBPRGKRZSA-N -1 0 322.427 -0.040 20 0 DBADRM C[C@@H]1CN(CN(CCN2CCOCC2)CC(=O)[O-])C(=O)[C@H]1C ZINC001594532142 1017044246 /nfs/dbraw/zinc/04/42/46/1017044246.db2.gz UPZTUKARRPPPBO-OLZOCXBDSA-N -1 0 313.398 -0.223 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])no2)CCN1CCO ZINC001594554328 1017046192 /nfs/dbraw/zinc/04/61/92/1017046192.db2.gz NGDDEZDLXFNTSF-QMMMGPOBSA-N -1 0 319.339 -0.940 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001594597921 1017050397 /nfs/dbraw/zinc/05/03/97/1017050397.db2.gz GXUKYBQFNQKCPH-NKWVEPMBSA-N -1 0 322.364 -0.388 20 0 DBADRM Cc1oncc1CN(C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001440956575 1006391267 /nfs/dbraw/zinc/39/12/67/1006391267.db2.gz OMBPJLKISVOLNF-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM COCc1cc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001440978382 1006397320 /nfs/dbraw/zinc/39/73/20/1006397320.db2.gz PGJTYUPKZNVTJR-QMMMGPOBSA-N -1 0 324.341 -0.105 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001594598465 1017048869 /nfs/dbraw/zinc/04/88/69/1017048869.db2.gz KCBSSLCCTWFWRM-UWVGGRQHSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001594597115 1017049587 /nfs/dbraw/zinc/04/95/87/1017049587.db2.gz CFLDBWMCJVEREI-NNYUYHANSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594597531 1017049862 /nfs/dbraw/zinc/04/98/62/1017049862.db2.gz DXTRBQBFQFUINT-NXEZZACHSA-N -1 0 309.322 -0.200 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001594598952 1017050057 /nfs/dbraw/zinc/05/00/57/1017050057.db2.gz MVDHQVVXGQNIME-NXEZZACHSA-N -1 0 310.306 -0.845 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001594632919 1017054236 /nfs/dbraw/zinc/05/42/36/1017054236.db2.gz RIUNVSJLEXJEJL-OYNCUSHFSA-N -1 0 323.309 -0.363 20 0 DBADRM CC(C)[C@H]1C[C@@H]1C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429469118 1006432242 /nfs/dbraw/zinc/43/22/42/1006432242.db2.gz UITPQQHFUVKPFB-BDAKNGLRSA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@@H]1OCC[C@H]1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594641962 1017055435 /nfs/dbraw/zinc/05/54/35/1017055435.db2.gz FJAGETCHHNVNCC-DTWKUNHWSA-N -1 0 305.352 -0.440 20 0 DBADRM O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccon1 ZINC001441050299 1006448477 /nfs/dbraw/zinc/44/84/77/1006448477.db2.gz QKLYNJYZMYYLKD-UHFFFAOYSA-N -1 0 321.341 -0.954 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)C1(C2CC2)CC1 ZINC001441054154 1006450267 /nfs/dbraw/zinc/45/02/67/1006450267.db2.gz DOSLAVXFBQCSDS-UHFFFAOYSA-N -1 0 321.381 -0.247 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001594638915 1017056195 /nfs/dbraw/zinc/05/61/95/1017056195.db2.gz FSBUNJKPNPDTPV-RFAUZJTJSA-N -1 0 322.317 -0.021 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC001594649428 1017056300 /nfs/dbraw/zinc/05/63/00/1017056300.db2.gz WGJGRBDDIBXQHN-SDDRHHMPSA-N -1 0 320.411 -0.026 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001594598464 1017050672 /nfs/dbraw/zinc/05/06/72/1017050672.db2.gz KCBSSLCCTWFWRM-NXEZZACHSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCCOC[C@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001594603249 1017050805 /nfs/dbraw/zinc/05/08/05/1017050805.db2.gz IIKQZMCNRVRPHK-MXWKQRLJSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@H](CC(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001441079367 1006465364 /nfs/dbraw/zinc/46/53/64/1006465364.db2.gz KOOMKHSVFNVUPH-SNVBAGLBSA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(CCn1ccnc1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001441104849 1006473220 /nfs/dbraw/zinc/47/32/20/1006473220.db2.gz KOXUZHLMDIPNJT-SNVBAGLBSA-N -1 0 305.342 -0.512 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001594610700 1017053101 /nfs/dbraw/zinc/05/31/01/1017053101.db2.gz SKTVZNRGXIGWCZ-QMMMGPOBSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@@H](NC(=O)COCC1CC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001441152374 1006488694 /nfs/dbraw/zinc/48/86/94/1006488694.db2.gz ILANBRMXZSQADB-SECBINFHSA-N -1 0 309.370 -0.127 20 0 DBADRM CCCC(=O)N(C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001429609072 1006495841 /nfs/dbraw/zinc/49/58/41/1006495841.db2.gz PYIJMLMHPGSSSW-QMMMGPOBSA-N -1 0 309.326 -0.244 20 0 DBADRM C[C@@H]1c2nncn2CCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001594670754 1017057286 /nfs/dbraw/zinc/05/72/86/1017057286.db2.gz FCYYDJITWCDBEA-SECBINFHSA-N -1 0 317.305 -0.259 20 0 DBADRM CCC(=O)N(C)CCN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001594696640 1017057744 /nfs/dbraw/zinc/05/77/44/1017057744.db2.gz UJVOFSGNNHRIRL-RYUDHWBXSA-N -1 0 311.382 -0.280 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N[C@H](Cn2cncn2)C(=O)[O-])C1 ZINC001594695672 1017058094 /nfs/dbraw/zinc/05/80/94/1017058094.db2.gz MRLMYILJJAWZEC-VHSXEESVSA-N -1 0 309.326 -0.894 20 0 DBADRM CC[C@H](C(=O)N[C@H](CC1OCCO1)C(=O)[O-])N1CCCC1=O ZINC001594730014 1017063193 /nfs/dbraw/zinc/06/31/93/1017063193.db2.gz XYTLSDAFGHREMV-NXEZZACHSA-N -1 0 314.338 -0.280 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])C1 ZINC001594694865 1017059207 /nfs/dbraw/zinc/05/92/07/1017059207.db2.gz AEUWLMXOYFNPIW-WDEREUQCSA-N -1 0 308.338 -0.289 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001594718829 1017059933 /nfs/dbraw/zinc/05/99/33/1017059933.db2.gz KZCXPJILXLZEQF-MNOVXSKESA-N -1 0 312.347 -0.372 20 0 DBADRM CCC(=O)NCC(=O)N(C)CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001594707807 1017060012 /nfs/dbraw/zinc/06/00/12/1017060012.db2.gz LNIVUHVKQRRVEW-UWVGGRQHSA-N -1 0 313.354 -0.850 20 0 DBADRM CCC(=O)NCc1nc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc(=O)[nH]1 ZINC001594712649 1017060377 /nfs/dbraw/zinc/06/03/77/1017060377.db2.gz WJYHBJQUSBKWEN-RKDXNWHRSA-N -1 0 322.321 -0.455 20 0 DBADRM CCC(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001594712193 1017060773 /nfs/dbraw/zinc/06/07/73/1017060773.db2.gz AODZGHGLCQRWGI-BDAKNGLRSA-N -1 0 322.321 -0.455 20 0 DBADRM CCC(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001594712196 1017061333 /nfs/dbraw/zinc/06/13/33/1017061333.db2.gz AODZGHGLCQRWGI-RKDXNWHRSA-N -1 0 322.321 -0.455 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001594705954 1017061797 /nfs/dbraw/zinc/06/17/97/1017061797.db2.gz IQENCJIDFPGJBZ-OPRDCNLKSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001594745193 1017062358 /nfs/dbraw/zinc/06/23/58/1017062358.db2.gz MWYWCMUIXBFEOI-PWSUYJOCSA-N -1 0 311.382 -0.092 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC001594742921 1017062724 /nfs/dbraw/zinc/06/27/24/1017062724.db2.gz JAUDRMLEGUTNKZ-NXEZZACHSA-N -1 0 306.384 -0.115 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)NCC(=O)OC ZINC001594742768 1017062889 /nfs/dbraw/zinc/06/28/89/1017062889.db2.gz HNACWSXSTDGMJK-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM CC[C@](C)(OC)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001594861670 1017067769 /nfs/dbraw/zinc/06/77/69/1017067769.db2.gz HOYZFHXMPWVJJS-KPXOXKRLSA-N -1 0 307.368 -0.194 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)CN1CCOCC1)C(=O)[O-] ZINC001594898620 1017069744 /nfs/dbraw/zinc/06/97/44/1017069744.db2.gz YOGWSFRJZSCAGA-MFKMUULPSA-N -1 0 316.354 -0.523 20 0 DBADRM CC[C@@](C)(O)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001594853911 1017068149 /nfs/dbraw/zinc/06/81/49/1017068149.db2.gz PHUJZPWGVGHGBS-ZIAGYGMSSA-N -1 0 300.355 -0.465 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001429819272 1006574196 /nfs/dbraw/zinc/57/41/96/1006574196.db2.gz HUROAZQVAOGUIR-SNVBAGLBSA-N -1 0 323.353 -0.767 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)[O-] ZINC001594908578 1017069263 /nfs/dbraw/zinc/06/92/63/1017069263.db2.gz IIOAKFKGJUUXLE-BXKDBHETSA-N -1 0 310.354 -0.003 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001594747669 1017063782 /nfs/dbraw/zinc/06/37/82/1017063782.db2.gz AZKBVQZZPBKHBT-LPEHRKFASA-N -1 0 306.384 -0.069 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001594742417 1017064535 /nfs/dbraw/zinc/06/45/35/1017064535.db2.gz BOPYPPLVZSZBMJ-ZJUUUORDSA-N -1 0 306.384 -0.115 20 0 DBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC001594816550 1017065134 /nfs/dbraw/zinc/06/51/34/1017065134.db2.gz HLGOCMPIMZKPCK-SKDRFNHKSA-N -1 0 321.399 -0.339 20 0 DBADRM CC[C@@H](C(=O)OC)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001594774047 1017065546 /nfs/dbraw/zinc/06/55/46/1017065546.db2.gz DUIAIAIABORLQV-SMDDNHRTSA-N -1 0 300.355 -0.201 20 0 DBADRM CCC(C)(C)C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001594794301 1017065597 /nfs/dbraw/zinc/06/55/97/1017065597.db2.gz HGEGIXOAFMYPFC-VIFPVBQESA-N -1 0 310.354 -0.078 20 0 DBADRM CC[C@@](C)(NC(=O)c1ccnc2c(C(N)=O)cnn21)C(=O)[O-] ZINC001594848040 1017066121 /nfs/dbraw/zinc/06/61/21/1017066121.db2.gz SXAXCMSWRGYHMA-CYBMUJFWSA-N -1 0 305.294 -0.189 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)c1cc(C(=O)OC)[nH]n1)C(=O)[O-] ZINC001594852948 1017066553 /nfs/dbraw/zinc/06/65/53/1017066553.db2.gz ADWQMCXPOVACBV-SNVBAGLBSA-N -1 0 305.312 -0.272 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC001594789713 1017066722 /nfs/dbraw/zinc/06/67/22/1017066722.db2.gz CAYHMLDZJYNFGL-IIRVCBMXSA-N -1 0 310.350 -0.415 20 0 DBADRM CC[C@@](C)(NC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)C(=O)[O-] ZINC001594835177 1017066925 /nfs/dbraw/zinc/06/69/25/1017066925.db2.gz FZQMVADJADLCIA-YMTOWFKASA-N -1 0 315.370 -0.238 20 0 DBADRM CC[C@](C)(NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001594840242 1017067031 /nfs/dbraw/zinc/06/70/31/1017067031.db2.gz GQKGZDYXSOBPAI-CABZTGNLSA-N -1 0 306.384 -0.525 20 0 DBADRM COC(=O)CCCN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001441419311 1006638013 /nfs/dbraw/zinc/63/80/13/1006638013.db2.gz YGSLHCWAEMMRNK-UHFFFAOYSA-N -1 0 300.315 -0.119 20 0 DBADRM CCOCC(=O)NC1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001430140821 1006711267 /nfs/dbraw/zinc/71/12/67/1006711267.db2.gz FPUVVEHQKZQALG-UHFFFAOYSA-N -1 0 320.305 -0.095 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccc(F)cc1 ZINC001441654493 1006772790 /nfs/dbraw/zinc/77/27/90/1006772790.db2.gz AVBFOTLBYCTTGM-SNVBAGLBSA-N -1 0 309.301 -0.470 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2cnoc2C)c1[O-] ZINC001441684141 1006806784 /nfs/dbraw/zinc/80/67/84/1006806784.db2.gz MEQKPQJNIRUOGY-SNVBAGLBSA-N -1 0 309.326 -0.399 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H]1CCC1(F)F ZINC001441706025 1006823082 /nfs/dbraw/zinc/82/30/82/1006823082.db2.gz NSQLLWDPHOWTBJ-RNFRBKRXSA-N -1 0 305.285 -0.878 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C1(CCF)CC1 ZINC001441717590 1006832290 /nfs/dbraw/zinc/83/22/90/1006832290.db2.gz JJHZNFXKQWZRTE-MRVPVSSYSA-N -1 0 301.322 -0.783 20 0 DBADRM CC1(C)CC(CC(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)C1 ZINC001441741884 1006846375 /nfs/dbraw/zinc/84/63/75/1006846375.db2.gz UKVNXFRKXAYXIR-JTQLQIEISA-N -1 0 311.386 -0.097 20 0 DBADRM CCOCC(=O)NC[C@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001430436333 1006853956 /nfs/dbraw/zinc/85/39/56/1006853956.db2.gz VQVQJIHJFPDKMT-VIFPVBQESA-N -1 0 321.337 -0.706 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H](F)c1ccccc1 ZINC001441754187 1006854791 /nfs/dbraw/zinc/85/47/91/1006854791.db2.gz IZQZMESRLOWJOT-ZYHUDNBSSA-N -1 0 323.328 -0.212 20 0 DBADRM C[C@@H](Cc1ccco1)C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001441759315 1006857419 /nfs/dbraw/zinc/85/74/19/1006857419.db2.gz WCVGBSYALSJBAK-VHSXEESVSA-N -1 0 323.353 -0.451 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001430478016 1006868712 /nfs/dbraw/zinc/86/87/12/1006868712.db2.gz BGJSAEHOGPZPEN-SSDOTTSWSA-N -1 0 320.353 -0.068 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)Cc2cc[nH]n2)c1[O-] ZINC001430482405 1006869510 /nfs/dbraw/zinc/86/95/10/1006869510.db2.gz UGBLYGMUWFSSOX-SSDOTTSWSA-N -1 0 306.326 -0.376 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)Cc2ccnn2C)c1[O-] ZINC001430484073 1006871746 /nfs/dbraw/zinc/87/17/46/1006871746.db2.gz YZHZAYOYKIJCTP-QMMMGPOBSA-N -1 0 320.353 -0.366 20 0 DBADRM CN(C(=O)c1ncccc1O)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001598104884 1017233434 /nfs/dbraw/zinc/23/34/34/1017233434.db2.gz WAPWNIHYPGPMLQ-NXEZZACHSA-N -1 0 319.317 -0.209 20 0 DBADRM CN(C)C(=O)[C@H]1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001598119288 1017233846 /nfs/dbraw/zinc/23/38/46/1017233846.db2.gz NGDFTXVISVPIIM-JTQLQIEISA-N -1 0 321.333 -0.517 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NC[C@H]2C[C@H]2C(=O)[O-])O1 ZINC001598116339 1017234160 /nfs/dbraw/zinc/23/41/60/1017234160.db2.gz CCUNJRQAQLFLSG-GWOFURMSSA-N -1 0 313.354 -0.358 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NC[C@H](F)C(=O)[O-])O1 ZINC001598117489 1017234633 /nfs/dbraw/zinc/23/46/33/1017234633.db2.gz JQABATAOSRUQBM-HRDYMLBCSA-N -1 0 305.306 -0.656 20 0 DBADRM CN(C(=O)c1cnon1)[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001598097404 1017234832 /nfs/dbraw/zinc/23/48/32/1017234832.db2.gz FYYZFIXTXVPWMI-QMMMGPOBSA-N -1 0 318.293 -0.091 20 0 DBADRM CN(C)[C@H](CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccco1 ZINC001598169585 1017242324 /nfs/dbraw/zinc/24/23/24/1017242324.db2.gz GLRZEQXOAPTJJS-WDEREUQCSA-N -1 0 323.349 -0.068 20 0 DBADRM CN(C)C(=O)CNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598130376 1017235416 /nfs/dbraw/zinc/23/54/16/1017235416.db2.gz XQWCXELBAVOSRV-MRVPVSSYSA-N -1 0 310.314 -0.979 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001598127849 1017235684 /nfs/dbraw/zinc/23/56/84/1017235684.db2.gz XOUYLEBLEBWQSP-PHIMTYICSA-N -1 0 311.382 -0.234 20 0 DBADRM CN(C)C(=O)CN1CCCN(C(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001598127674 1017235941 /nfs/dbraw/zinc/23/59/41/1017235941.db2.gz MWNQFSGQQHXVBM-UHFFFAOYSA-N -1 0 324.337 -0.391 20 0 DBADRM CN(C)C(=O)COC1CN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001598131269 1017237035 /nfs/dbraw/zinc/23/70/35/1017237035.db2.gz YYSUVFGRWIDGAC-UHFFFAOYSA-N -1 0 320.367 -0.888 20 0 DBADRM CN(C)C(=O)CNC(=S)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001598130014 1017237334 /nfs/dbraw/zinc/23/73/34/1017237334.db2.gz NWGJESPDFKKWGR-QMMMGPOBSA-N -1 0 305.425 -0.301 20 0 DBADRM CN(C)C(=O)COc1ccccc1CN1CC(O)(C(=O)[O-])C1 ZINC001598132720 1017237356 /nfs/dbraw/zinc/23/73/56/1017237356.db2.gz INJVXLVNZJJOPJ-UHFFFAOYSA-N -1 0 308.334 -0.215 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001598126633 1017237386 /nfs/dbraw/zinc/23/73/86/1017237386.db2.gz OIXLINIBBRMRKK-UHFFFAOYSA-N -1 0 313.354 -0.706 20 0 DBADRM CN(C)C(=O)CCN1CCN(C(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001598127038 1017237475 /nfs/dbraw/zinc/23/74/75/1017237475.db2.gz YDRRUVVBIUJNEV-UHFFFAOYSA-N -1 0 322.365 -0.051 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598126662 1017237498 /nfs/dbraw/zinc/23/74/98/1017237498.db2.gz QNSPVLZVQNKQOA-UHFFFAOYSA-N -1 0 308.294 -0.687 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)Nc2[nH]cnc2C(=O)[O-])nn1 ZINC001598134655 1017238294 /nfs/dbraw/zinc/23/82/94/1017238294.db2.gz XGPNKSCLXYIUES-UHFFFAOYSA-N -1 0 307.270 -0.960 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(Cn2nc(C(=O)[O-])ccc2=O)C1 ZINC001598138676 1017239138 /nfs/dbraw/zinc/23/91/38/1017239138.db2.gz DPMRATNPSYEABI-SNVBAGLBSA-N -1 0 323.353 -0.413 20 0 DBADRM Cn1cc(C(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)ccc1=O ZINC001598160519 1017242459 /nfs/dbraw/zinc/24/24/59/1017242459.db2.gz GJDXPICLUXUXJD-UHFFFAOYSA-N -1 0 323.330 -0.009 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC001598139493 1017239744 /nfs/dbraw/zinc/23/97/44/1017239744.db2.gz PQRUVVUSSGTLAQ-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC001598138896 1017240100 /nfs/dbraw/zinc/24/01/00/1017240100.db2.gz NRNLIIRPUJBVHI-JTQLQIEISA-N -1 0 321.399 -0.131 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)C2=COCCO2)C1 ZINC001597998322 1017226521 /nfs/dbraw/zinc/22/65/21/1017226521.db2.gz KUJSOANOZOKEFE-VHSXEESVSA-N -1 0 310.306 -0.736 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)CCn2ccnc2)C1 ZINC001597997751 1017226695 /nfs/dbraw/zinc/22/66/95/1017226695.db2.gz AQJNJGATMNLBLX-NEPJUHHUSA-N -1 0 320.349 -0.337 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cccnn2)C1 ZINC001597998257 1017226779 /nfs/dbraw/zinc/22/67/79/1017226779.db2.gz JQYKCUHRRXIQTE-NXEZZACHSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)CCn2ccnc2)C1 ZINC001597997753 1017226802 /nfs/dbraw/zinc/22/68/02/1017226802.db2.gz AQJNJGATMNLBLX-RYUDHWBXSA-N -1 0 320.349 -0.337 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001597998426 1017226843 /nfs/dbraw/zinc/22/68/43/1017226843.db2.gz MGGYJGUWZOPWNV-WDEREUQCSA-N -1 0 319.317 -0.209 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2n[nH]cc2F)C1 ZINC001597997791 1017226936 /nfs/dbraw/zinc/22/69/36/1017226936.db2.gz BOZOMRVZMVWIGA-JGVFFNPUSA-N -1 0 310.285 -0.448 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2n[nH]cc2F)C1 ZINC001597997792 1017227206 /nfs/dbraw/zinc/22/72/06/1017227206.db2.gz BOZOMRVZMVWIGA-SFYZADRCSA-N -1 0 310.285 -0.448 20 0 DBADRM CN(C(=O)C[C@@H]1CC(=O)NC1=O)[C@H](COC1CCC1)C(=O)[O-] ZINC001598008610 1017228442 /nfs/dbraw/zinc/22/84/42/1017228442.db2.gz YBHACUXNRCOOGC-WCBMZHEXSA-N -1 0 312.322 -0.480 20 0 DBADRM CN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC001598022805 1017228482 /nfs/dbraw/zinc/22/84/82/1017228482.db2.gz IOVHUMJAGPVNSL-KXUCPTDWSA-N -1 0 311.338 -0.968 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cncnc2)C1 ZINC001597998995 1017228840 /nfs/dbraw/zinc/22/88/40/1017228840.db2.gz ZBTISVAFINVAHE-WDEREUQCSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)CN1CCN(C)[C@@H](CO)C1)c1ccccc1C(=O)[O-] ZINC001598023591 1017229692 /nfs/dbraw/zinc/22/96/92/1017229692.db2.gz ZPCIZSCHNBQVGC-GFCCVEGCSA-N -1 0 321.377 -0.044 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cncnc2)C1 ZINC001597998994 1017229760 /nfs/dbraw/zinc/22/97/60/1017229760.db2.gz ZBTISVAFINVAHE-QWRGUYRKSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)c1ccc(C(=O)[O-])[nH]1)N1CCS(=O)(=O)CC1 ZINC001598082836 1017231605 /nfs/dbraw/zinc/23/16/05/1017231605.db2.gz AKBVQMSIXOBFMZ-UHFFFAOYSA-N -1 0 301.324 -0.570 20 0 DBADRM CN(C(=O)Cn1ncn(C)c1=O)c1ccc(OCC(=O)[O-])cc1 ZINC001598042385 1017231842 /nfs/dbraw/zinc/23/18/42/1017231842.db2.gz WRLUPMXXTGIKCF-UHFFFAOYSA-N -1 0 320.305 -0.292 20 0 DBADRM CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598067180 1017231995 /nfs/dbraw/zinc/23/19/95/1017231995.db2.gz RVECRKNLMFHZLL-ONGXEEELSA-N -1 0 305.290 -0.131 20 0 DBADRM CN(C)C(=O)[C@H]1CCN(c2nnnn2[C@@H]2CC=C(C(=O)[O-])C2)C1 ZINC001598119976 1017232977 /nfs/dbraw/zinc/23/29/77/1017232977.db2.gz SDXSEQRLJHWUFJ-WDEREUQCSA-N -1 0 320.353 -0.067 20 0 DBADRM CC(C)[C@@H](F)C(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001430697281 1006998569 /nfs/dbraw/zinc/99/85/69/1006998569.db2.gz NBILGLSNNUNCLR-IONNQARKSA-N -1 0 317.321 -0.696 20 0 DBADRM CC(C)[C@H](F)C(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001430697277 1007000327 /nfs/dbraw/zinc/00/03/27/1007000327.db2.gz NBILGLSNNUNCLR-CBAPKCEASA-N -1 0 317.321 -0.696 20 0 DBADRM CC(=O)NCC[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001430928874 1007069606 /nfs/dbraw/zinc/06/96/06/1007069606.db2.gz XFWGZPVXMPHSCD-MRVPVSSYSA-N -1 0 306.326 -0.898 20 0 DBADRM C[C@H](CCNC(=O)C(C)(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001430934819 1007073188 /nfs/dbraw/zinc/07/31/88/1007073188.db2.gz LKWSNZCCCXKLKP-RXMQYKEDSA-N -1 0 319.268 -0.437 20 0 DBADRM C[C@H](CNC(=O)CC1CC1)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001430947461 1007077672 /nfs/dbraw/zinc/07/76/72/1007077672.db2.gz CUJLICZDXZBOIB-SSDOTTSWSA-N -1 0 309.326 -0.435 20 0 DBADRM Cc1nc(CN[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)c(C)o1 ZINC001442016947 1007085035 /nfs/dbraw/zinc/08/50/35/1007085035.db2.gz IKTMNJUVKKNKON-ZETCQYMHSA-N -1 0 324.341 -0.411 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)c2ccn[nH]2)c1[O-] ZINC001430969542 1007093666 /nfs/dbraw/zinc/09/36/66/1007093666.db2.gz UARHSLGDGZUWLA-SSDOTTSWSA-N -1 0 306.326 -0.057 20 0 DBADRM Cc1ccoc1C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001442035766 1007104801 /nfs/dbraw/zinc/10/48/01/1007104801.db2.gz FIBYXBLNRQRTQF-SNVBAGLBSA-N -1 0 323.353 -0.023 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)c2cncn2C)c1[O-] ZINC001431006513 1007133249 /nfs/dbraw/zinc/13/32/49/1007133249.db2.gz XOFIROIZECDMIM-MRVPVSSYSA-N -1 0 320.353 -0.047 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CCNC(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC001431066374 1007166921 /nfs/dbraw/zinc/16/69/21/1007166921.db2.gz CMLCPHXCSFWRSZ-APPZFPTMSA-N -1 0 323.353 -0.673 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cccnn2)s1 ZINC001442072661 1007177550 /nfs/dbraw/zinc/17/75/50/1007177550.db2.gz UVFSUUADUVCDJE-UHFFFAOYSA-N -1 0 300.325 -0.048 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001431124412 1007194355 /nfs/dbraw/zinc/19/43/55/1007194355.db2.gz AUJQKYOUUAQPFC-ZJUUUORDSA-N -1 0 317.349 -0.133 20 0 DBADRM COCCN(CCNC(=O)c1ncoc1C)Cc1n[nH]c(=O)[n-]1 ZINC001442167547 1007282340 /nfs/dbraw/zinc/28/23/40/1007282340.db2.gz GNYUGDRGNXNMPJ-UHFFFAOYSA-N -1 0 324.341 -0.315 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@H]1CCC1(C)C ZINC001431395843 1007393918 /nfs/dbraw/zinc/39/39/18/1007393918.db2.gz CTYHLFQIAQUGHT-MRVPVSSYSA-N -1 0 323.353 -0.093 20 0 DBADRM CCC(CC)C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001431415744 1007406160 /nfs/dbraw/zinc/40/61/60/1007406160.db2.gz QVPNHYSYHYAMEV-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM CN(CCNC(=O)c1ccn(C(F)F)n1)Cc1n[nH]c(=O)[n-]1 ZINC001442413079 1007419366 /nfs/dbraw/zinc/41/93/66/1007419366.db2.gz UDVBDHLECCZNNB-UHFFFAOYSA-N -1 0 315.284 -0.036 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001442539773 1007534477 /nfs/dbraw/zinc/53/44/77/1007534477.db2.gz XDVSAIJWWBGATI-HTQZYQBOSA-N -1 0 313.358 -0.255 20 0 DBADRM CCC(=O)N(C)CC(C)(C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001442569920 1007556334 /nfs/dbraw/zinc/55/63/34/1007556334.db2.gz SLNJSQYJZAZGBL-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@H](F)C(C)C)c1[O-] ZINC001431514744 1007556399 /nfs/dbraw/zinc/55/63/99/1007556399.db2.gz PUTGKIYGTJEHJG-DTWKUNHWSA-N -1 0 316.333 -0.375 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@@H](F)C(C)C)c1[O-] ZINC001431514746 1007559399 /nfs/dbraw/zinc/55/93/99/1007559399.db2.gz PUTGKIYGTJEHJG-IUCAKERBSA-N -1 0 316.333 -0.375 20 0 DBADRM CCN(CCNC(=O)c1cnc(C)cn1)Cc1n[nH]c(=O)[n-]1 ZINC001442625201 1007584035 /nfs/dbraw/zinc/58/40/35/1007584035.db2.gz ASKMBJBCHFRNQF-UHFFFAOYSA-N -1 0 305.342 -0.139 20 0 DBADRM CCN(CCNC(=O)c1cc[nH]c(=O)c1)Cc1n[nH]c(=O)[n-]1 ZINC001442639046 1007590822 /nfs/dbraw/zinc/59/08/22/1007590822.db2.gz FOOJBCFEYQVSFL-UHFFFAOYSA-N -1 0 306.326 -0.137 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@@H](C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001442674382 1007607833 /nfs/dbraw/zinc/60/78/33/1007607833.db2.gz XNTPDJUNOJOESO-RKDXNWHRSA-N -1 0 313.358 -0.302 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)c2ncn(C)n2)c1[O-] ZINC001442742734 1007641894 /nfs/dbraw/zinc/64/18/94/1007641894.db2.gz RJKJYUADQHTZOC-SSDOTTSWSA-N -1 0 321.341 -0.557 20 0 DBADRM CCN(CCNC(=O)c1c[n-]n2c1nccc2=O)C(=O)COC ZINC001431632472 1007647154 /nfs/dbraw/zinc/64/71/54/1007647154.db2.gz JVGIKKLIXPBVES-UHFFFAOYSA-N -1 0 321.337 -0.753 20 0 DBADRM O=C(C[C@@H]1CCC(=O)N1)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001442826842 1007673362 /nfs/dbraw/zinc/67/33/62/1007673362.db2.gz YOZWSLWRIHGVEG-UWVGGRQHSA-N -1 0 322.369 -0.740 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001431706177 1007679496 /nfs/dbraw/zinc/67/94/96/1007679496.db2.gz KHOKSZRDCHVTBH-RQJHMYQMSA-N -1 0 303.294 -0.942 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001598329990 1017255090 /nfs/dbraw/zinc/25/50/90/1017255090.db2.gz CBDHOLGHLJQVET-UHFFFAOYSA-N -1 0 315.351 -0.768 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)[C@@H]1CC12CC2 ZINC001442861240 1007689636 /nfs/dbraw/zinc/68/96/36/1007689636.db2.gz IQIUTFBJMYFNPR-YUMQZZPRSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001431746602 1007695162 /nfs/dbraw/zinc/69/51/62/1007695162.db2.gz GHBRLIYDXANEFY-SNVBAGLBSA-N -1 0 323.353 -0.719 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCCN1C(=O)CC1CC1 ZINC001431757774 1007697360 /nfs/dbraw/zinc/69/73/60/1007697360.db2.gz SOZNXSBSROIUIY-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001598259519 1017249028 /nfs/dbraw/zinc/24/90/28/1017249028.db2.gz KBILMVNEEBQXHW-BDAKNGLRSA-N -1 0 308.356 -0.984 20 0 DBADRM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598259359 1017249469 /nfs/dbraw/zinc/24/94/69/1017249469.db2.gz IQZBTTWDKCOMDR-LPEHRKFASA-N -1 0 304.368 -0.411 20 0 DBADRM CN(C)S(=O)(=O)[C@@H]1CCCN(Cn2cc(C(=O)[O-])nn2)C1 ZINC001598259296 1017249725 /nfs/dbraw/zinc/24/97/25/1017249725.db2.gz FRGXERQJKVRTDQ-SECBINFHSA-N -1 0 317.371 -0.710 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001598259793 1017249827 /nfs/dbraw/zinc/24/98/27/1017249827.db2.gz OQHABZFDJHCRTE-UHFFFAOYSA-N -1 0 302.308 -0.080 20 0 DBADRM CN(C)Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])no1 ZINC001598247178 1017250575 /nfs/dbraw/zinc/25/05/75/1017250575.db2.gz OTEQUJWFIISHKU-NSHDSACASA-N -1 0 324.337 -0.458 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CNC1CC(C(=O)[O-])C1 ZINC001598281863 1017255405 /nfs/dbraw/zinc/25/54/05/1017255405.db2.gz CEINZSRXOSPEOE-UHFFFAOYSA-N -1 0 302.356 -0.510 20 0 DBADRM CCCN(CCNC(=O)c1cnnn1CC)Cc1n[nH]c(=O)[n-]1 ZINC001442947569 1007728855 /nfs/dbraw/zinc/72/88/55/1007728855.db2.gz UQQBFJLXBDOOPW-UHFFFAOYSA-N -1 0 322.373 -0.236 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001598262169 1017251921 /nfs/dbraw/zinc/25/19/21/1017251921.db2.gz QSFGRHDESHTUSC-SECBINFHSA-N -1 0 324.424 -0.456 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)N[C@](C)(CO)C(=O)[O-])co1 ZINC001598269939 1017252155 /nfs/dbraw/zinc/25/21/55/1017252155.db2.gz XXNPDKQRWOPFBK-LLVKDONJSA-N -1 0 320.323 -0.905 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CC(C(=O)[O-])C2)c1 ZINC001598266481 1017252197 /nfs/dbraw/zinc/25/21/97/1017252197.db2.gz CJKFOTAPJKCGIT-UHFFFAOYSA-N -1 0 301.324 -0.578 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001598262513 1017252300 /nfs/dbraw/zinc/25/23/00/1017252300.db2.gz WFYQKGLTNJNFGU-UHFFFAOYSA-N -1 0 315.351 -0.323 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC001598283967 1017255431 /nfs/dbraw/zinc/25/54/31/1017255431.db2.gz TWYMVRYKNIBDNA-NTCNTBNZSA-N -1 0 313.401 -0.352 20 0 DBADRM CN(C)c1cc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])ccn1 ZINC001598287885 1017253738 /nfs/dbraw/zinc/25/37/38/1017253738.db2.gz KMHIQZLKJFRCIE-SNVBAGLBSA-N -1 0 304.310 -0.378 20 0 DBADRM CN(C)c1ccc(C(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])cn1 ZINC001598312726 1017254149 /nfs/dbraw/zinc/25/41/49/1017254149.db2.gz OGZPWYVHASYLKA-WDEREUQCSA-N -1 0 320.349 -0.286 20 0 DBADRM CN(C)c1cc(NC(=O)N2CCC(O)(C(=O)[O-])CC2)ncn1 ZINC001598307292 1017254445 /nfs/dbraw/zinc/25/44/45/1017254445.db2.gz MPEQQUZPNCEXBM-UHFFFAOYSA-N -1 0 309.326 -0.014 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(Cc2cn(C)nn2)C2CC2)c1[O-] ZINC001443000012 1007755198 /nfs/dbraw/zinc/75/51/98/1007755198.db2.gz QVLJZPOTCCVJEX-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN[C@H](C)c2nncn2C)c1[O-] ZINC001443114352 1007796028 /nfs/dbraw/zinc/79/60/28/1007796028.db2.gz ZNPBFVASEKMTOC-SECBINFHSA-N -1 0 307.358 -0.025 20 0 DBADRM CCC(=O)N1CC[C@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001432045410 1007799700 /nfs/dbraw/zinc/79/97/00/1007799700.db2.gz QEWBWPCEOKZMRK-QMMMGPOBSA-N -1 0 309.326 -0.658 20 0 DBADRM CC(=O)N[C@@H](C)C1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001443172439 1007803479 /nfs/dbraw/zinc/80/34/79/1007803479.db2.gz SZQAMQNTTTUTPT-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(CCCF)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001432089611 1007809487 /nfs/dbraw/zinc/80/94/87/1007809487.db2.gz UGVTVLJIEQEMAW-ZETCQYMHSA-N -1 0 313.289 -0.637 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)CC2CC2)C1 ZINC001443238256 1007815574 /nfs/dbraw/zinc/81/55/74/1007815574.db2.gz DQGJLJIDJMFARH-QMMMGPOBSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)[C@@H]3CCC(=O)N3)CC2)c1[O-] ZINC001432167255 1007833195 /nfs/dbraw/zinc/83/31/95/1007833195.db2.gz VJJBBHVIRIMUFF-QMMMGPOBSA-N -1 0 321.337 -0.919 20 0 DBADRM O=C(COCC(F)F)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001443437920 1007846323 /nfs/dbraw/zinc/84/63/23/1007846323.db2.gz SHXAKNYSIYETHY-QMMMGPOBSA-N -1 0 319.312 -0.127 20 0 DBADRM O=C(C1=CS(=O)(=O)CCC1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001443444736 1007848806 /nfs/dbraw/zinc/84/88/06/1007848806.db2.gz OYLYUPHBHPHHPY-VIFPVBQESA-N -1 0 313.339 -0.808 20 0 DBADRM CCCC[C@H](C(N)=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001443476898 1007859575 /nfs/dbraw/zinc/85/95/75/1007859575.db2.gz AZYCWPCFHOLJCX-SNVBAGLBSA-N -1 0 309.370 -0.118 20 0 DBADRM CCC(=O)NC1(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001432237722 1007863927 /nfs/dbraw/zinc/86/39/27/1007863927.db2.gz MYBNAVYGMGFUJT-UHFFFAOYSA-N -1 0 311.342 -0.356 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(NC(=O)C2CCCC2)CC1 ZINC001432259282 1007871401 /nfs/dbraw/zinc/87/14/01/1007871401.db2.gz BZOMCELOHXGVAR-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1nncn1C1CC1 ZINC001443585473 1007882107 /nfs/dbraw/zinc/88/21/07/1007882107.db2.gz NOZCWZSWLVKOEU-UHFFFAOYSA-N -1 0 314.309 -0.686 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001594897938 1017070216 /nfs/dbraw/zinc/07/02/16/1017070216.db2.gz TVNIUHJJDWCCOH-QXFUBDJGSA-N -1 0 323.367 -0.422 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)C1CN(C(C)=O)C1)C(=O)[O-] ZINC001594895025 1017070260 /nfs/dbraw/zinc/07/02/60/1017070260.db2.gz AEGTZBSAXCTVOX-QPUJVOFHSA-N -1 0 314.338 -0.377 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1C[C@H]2[C@H](C(=O)OC)[C@H]2C1)C(=O)[O-] ZINC001594894724 1017070437 /nfs/dbraw/zinc/07/04/37/1017070437.db2.gz YEDVARAZBQEGER-CULRXLKQSA-N -1 0 312.366 -0.047 20 0 DBADRM CC(=O)N1CCC(CNC(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001443623916 1007890242 /nfs/dbraw/zinc/89/02/42/1007890242.db2.gz MEDNAVPZJMKMBP-UHFFFAOYSA-N -1 0 313.383 -0.023 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3cccnn3)CC2)c1[O-] ZINC001432323570 1007891881 /nfs/dbraw/zinc/89/18/81/1007891881.db2.gz JXNUXBJSEDNMMQ-UHFFFAOYSA-N -1 0 316.321 -0.094 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@@H]1CCC(=O)N1C)C(=O)[O-] ZINC001594898181 1017070679 /nfs/dbraw/zinc/07/06/79/1017070679.db2.gz USCRNIQCKKFYAX-HOTUBEGUSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)Cn1c(=O)ccn(CC)c1=O)C(=O)[O-] ZINC001594908709 1017070727 /nfs/dbraw/zinc/07/07/27/1017070727.db2.gz JIQUNBKBABQXLP-JOYOIKCWSA-N -1 0 311.338 -0.355 20 0 DBADRM CC[C@H](C)C[C@H](NC(=O)c1cnn(C[C@H](O)CO)c1)C(=O)[O-] ZINC001594950232 1017072035 /nfs/dbraw/zinc/07/20/35/1017072035.db2.gz VXKAUZVUTURSTO-DLOVCJGASA-N -1 0 313.354 -0.145 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CN1CCS(=O)(=O)CC1 ZINC001594974422 1017072063 /nfs/dbraw/zinc/07/20/63/1017072063.db2.gz HOWAGYHJGRKGQG-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM CC[C@H](C)[C@H](O)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001594919817 1017072204 /nfs/dbraw/zinc/07/22/04/1017072204.db2.gz DQUHWOXDGNZOLI-VHSXEESVSA-N -1 0 303.359 -0.326 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(Cn3ccnn3)o2)CCO1 ZINC001594949067 1017072611 /nfs/dbraw/zinc/07/26/11/1017072611.db2.gz VCMPZJLGVBHZNT-LLVKDONJSA-N -1 0 306.278 -0.155 20 0 DBADRM CC[C@H](C)N(CC)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001594982644 1017072836 /nfs/dbraw/zinc/07/28/36/1017072836.db2.gz MZLYBKAJSGDUAC-HBNTYKKESA-N -1 0 300.355 -0.073 20 0 DBADRM CC[C@@H](C)[C@@H](OC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)[O-] ZINC001594922760 1017072844 /nfs/dbraw/zinc/07/28/44/1017072844.db2.gz DPDZNJGPBBJGJE-PSASIEDQSA-N -1 0 310.372 -0.233 20 0 DBADRM CC[C@H](C)C[C@H](NC(=O)C1(OC)CS(=O)(=O)C1)C(=O)[O-] ZINC001594935972 1017073148 /nfs/dbraw/zinc/07/31/48/1017073148.db2.gz FBSLFMXQPVXKOI-IUCAKERBSA-N -1 0 307.368 -0.194 20 0 DBADRM CCC(CC)(CNC(=O)c1cnn(C[C@H](O)CO)c1)C(=O)[O-] ZINC001595076399 1017074127 /nfs/dbraw/zinc/07/41/27/1017074127.db2.gz CNTAOVLBZFWCGE-NSHDSACASA-N -1 0 313.354 -0.143 20 0 DBADRM CC[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C(C)(C)O ZINC001595243350 1017080052 /nfs/dbraw/zinc/08/00/52/1017080052.db2.gz ZTJHIPYLHMCONB-UWVGGRQHSA-N -1 0 300.355 -0.025 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001595139135 1017076563 /nfs/dbraw/zinc/07/65/63/1017076563.db2.gz BIZZDIQDROXMMK-VHSXEESVSA-N -1 0 308.338 -0.060 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NS(=O)(=O)CCCC(=O)[O-] ZINC001595172615 1017078088 /nfs/dbraw/zinc/07/80/88/1017078088.db2.gz JIQDPFDPAQCTNG-QMMMGPOBSA-N -1 0 316.401 -0.902 20 0 DBADRM CC[C@](COC)(NC(=O)[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001595187468 1017078629 /nfs/dbraw/zinc/07/86/29/1017078629.db2.gz MNZYUDQNBBAXOV-JOYOIKCWSA-N -1 0 307.368 -0.193 20 0 DBADRM CC(=O)N1CC[C@@](C)(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001432580928 1007969277 /nfs/dbraw/zinc/96/92/77/1007969277.db2.gz FVOMOORPUYCPOK-CQSZACIVSA-N -1 0 318.337 -0.802 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1CC12CC2 ZINC001443953472 1007973009 /nfs/dbraw/zinc/97/30/09/1007973009.db2.gz KONDRFUQTIXADO-RKDXNWHRSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(c1cnco1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001432615367 1007978878 /nfs/dbraw/zinc/97/88/78/1007978878.db2.gz CZBWEEQDLOYSIW-UHFFFAOYSA-N -1 0 304.310 -0.154 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1cc(C)on1 ZINC001444018914 1007987917 /nfs/dbraw/zinc/98/79/17/1007987917.db2.gz PKTNNBBHIZHAMX-SECBINFHSA-N -1 0 324.341 -0.330 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1cc(C)on1 ZINC001444018921 1007988243 /nfs/dbraw/zinc/98/82/43/1007988243.db2.gz PKTNNBBHIZHAMX-VIFPVBQESA-N -1 0 324.341 -0.330 20 0 DBADRM CC[C@@H](CNC(=O)c1cnn(C)n1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001432742916 1008003677 /nfs/dbraw/zinc/00/36/77/1008003677.db2.gz VFUQVPDUJHJFIM-QMMMGPOBSA-N -1 0 321.341 -0.509 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1(C)CC1 ZINC001432761755 1008005489 /nfs/dbraw/zinc/00/54/89/1008005489.db2.gz PCOYFQXZRDVLAN-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)CNC(=O)C1CCC1 ZINC001432935761 1008042046 /nfs/dbraw/zinc/04/20/46/1008042046.db2.gz YBYJKUUYSDERKB-SECBINFHSA-N -1 0 322.365 -0.232 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC2(F)F)c1[O-] ZINC001444147983 1008049394 /nfs/dbraw/zinc/04/93/94/1008049394.db2.gz ONRAILZNIHIANJ-NKWVEPMBSA-N -1 0 318.280 -0.714 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1=O ZINC001444170698 1008060167 /nfs/dbraw/zinc/06/01/67/1008060167.db2.gz IGXPAKDIIWQRQV-SECBINFHSA-N -1 0 311.342 -0.405 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001444259770 1008103447 /nfs/dbraw/zinc/10/34/47/1008103447.db2.gz ABELQLVSVVKAGI-YUMQZZPRSA-N -1 0 302.306 -0.621 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001444368139 1008145053 /nfs/dbraw/zinc/14/50/53/1008145053.db2.gz URUNYXZAMGZDTB-RKDXNWHRSA-N -1 0 323.353 -0.269 20 0 DBADRM Cc1ccc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001444971913 1008265190 /nfs/dbraw/zinc/26/51/90/1008265190.db2.gz AXRUOSHPEDXUDV-UHFFFAOYSA-N -1 0 305.342 -0.187 20 0 DBADRM O=C(Cn1ncc(=O)c2ccccc21)NCc1n[nH]c(=O)[n-]1 ZINC001445410491 1008372587 /nfs/dbraw/zinc/37/25/87/1008372587.db2.gz DGJLOUHTRDJSKG-UHFFFAOYSA-N -1 0 300.278 -0.463 20 0 DBADRM CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001445492024 1008383074 /nfs/dbraw/zinc/38/30/74/1008383074.db2.gz UQNAUKIDLPDVLC-NXEZZACHSA-N -1 0 310.354 -0.085 20 0 DBADRM C[C@@H](CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1)[S@@](C)=O ZINC001445543639 1008394648 /nfs/dbraw/zinc/39/46/48/1008394648.db2.gz MATZQXUMSVLMQR-GTUYJWLHSA-N -1 0 322.394 -0.038 20 0 DBADRM CCCn1nnnc1CNC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001445555997 1008396921 /nfs/dbraw/zinc/39/69/21/1008396921.db2.gz YGWVZSOFTKJHHX-QMMMGPOBSA-N -1 0 322.373 -0.272 20 0 DBADRM Cc1ccnc(CNC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001445641850 1008411829 /nfs/dbraw/zinc/41/18/29/1008411829.db2.gz HEGXPSJAWCVDCD-VIFPVBQESA-N -1 0 321.341 -0.918 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCSCCCO ZINC001445649984 1008413544 /nfs/dbraw/zinc/41/35/44/1008413544.db2.gz AKAAHECMNKMJEH-UHFFFAOYSA-N -1 0 304.372 -0.299 20 0 DBADRM Cc1ncncc1C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001445685253 1008420542 /nfs/dbraw/zinc/42/05/42/1008420542.db2.gz KANVKLBDOZGEPD-MRVPVSSYSA-N -1 0 305.342 -0.141 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)Cc1cncn1C ZINC001445850276 1008439912 /nfs/dbraw/zinc/43/99/12/1008439912.db2.gz HCBFYXLONGRDHL-VIFPVBQESA-N -1 0 307.358 -0.577 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)Cc1cncn1C ZINC001445850269 1008440131 /nfs/dbraw/zinc/44/01/31/1008440131.db2.gz HCBFYXLONGRDHL-SECBINFHSA-N -1 0 307.358 -0.577 20 0 DBADRM O=C(CN1CCCCC1=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001446047695 1008467441 /nfs/dbraw/zinc/46/74/41/1008467441.db2.gz GOEOQGMKVSCDCY-JTQLQIEISA-N -1 0 322.369 -0.787 20 0 DBADRM Cc1cc(CN2CC[C@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)on1 ZINC001446121228 1008475377 /nfs/dbraw/zinc/47/53/77/1008475377.db2.gz PMGKHJLVLODISK-VIFPVBQESA-N -1 0 322.325 -0.624 20 0 DBADRM Cc1cc(C)n(CC(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001446204527 1008489474 /nfs/dbraw/zinc/48/94/74/1008489474.db2.gz FRFVPYKRHBOMPM-UHFFFAOYSA-N -1 0 319.369 -0.238 20 0 DBADRM CC(=O)NC[C@@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)C(C)C ZINC001457560851 1008534015 /nfs/dbraw/zinc/53/40/15/1008534015.db2.gz PSNGSQKLJWSHJA-SNVBAGLBSA-N -1 0 311.342 -0.508 20 0 DBADRM CC(=O)N[C@@H](CNC(=O)c1c[n-]n2c1nccc2=O)C(C)C ZINC001457619550 1008555790 /nfs/dbraw/zinc/55/57/90/1008555790.db2.gz YAWPQSQIEXHRGR-NSHDSACASA-N -1 0 305.338 -0.087 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOC[C@@H]1[C@@H]1CCCCC1=O ZINC001446586152 1008587736 /nfs/dbraw/zinc/58/77/36/1008587736.db2.gz TZZGOMBBMRUXGL-VHSXEESVSA-N -1 0 324.337 -0.324 20 0 DBADRM CCC(=O)NC[C@@H](O)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001457869283 1008663176 /nfs/dbraw/zinc/66/31/76/1008663176.db2.gz NFNIVKJYMLMROE-SSDOTTSWSA-N -1 0 308.294 -0.455 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc[nH]1 ZINC001446741399 1008739805 /nfs/dbraw/zinc/73/98/05/1008739805.db2.gz RRIFSJDMGVIVQU-CYBMUJFWSA-N -1 0 306.326 -0.795 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC2(C)C)c1[O-] ZINC001457957896 1008768139 /nfs/dbraw/zinc/76/81/39/1008768139.db2.gz FYEGORRVMDJVQI-RKDXNWHRSA-N -1 0 310.354 -0.323 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001446775084 1008781905 /nfs/dbraw/zinc/78/19/05/1008781905.db2.gz PZNSBPOPLRUKGG-UFBFGSQYSA-N -1 0 301.322 -0.689 20 0 DBADRM CC(C)[C@H](F)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001446778098 1008790211 /nfs/dbraw/zinc/79/02/11/1008790211.db2.gz XKEDTLWDCUBHHG-GWCFXTLKSA-N -1 0 315.349 -0.443 20 0 DBADRM C[C@@H](CC(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001446812739 1008808996 /nfs/dbraw/zinc/80/89/96/1008808996.db2.gz GUWYCSVKGUJKBR-BONVTDFDSA-N -1 0 323.397 -0.001 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2ncccn2)c1[O-] ZINC001458110546 1008817523 /nfs/dbraw/zinc/81/75/23/1008817523.db2.gz XVZBWAXWRJIAPS-SSDOTTSWSA-N -1 0 304.310 -0.238 20 0 DBADRM CSCCC(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001458246844 1008824955 /nfs/dbraw/zinc/82/49/55/1008824955.db2.gz YEXSXYUPOQPOTJ-ZCFIWIBFSA-N -1 0 315.355 -0.730 20 0 DBADRM O=C(NC1(CNC(=O)C2CC2)CC1)c1c[n-]n2c1nccc2=O ZINC001458828919 1008882970 /nfs/dbraw/zinc/88/29/70/1008882970.db2.gz HRVDKVDIKHWFGA-UHFFFAOYSA-N -1 0 315.333 -0.189 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NCC1(NC(=O)c2cn[nH]n2)CC1 ZINC001458966795 1008907861 /nfs/dbraw/zinc/90/78/61/1008907861.db2.gz CGSLLNHHAVJZKD-MRVPVSSYSA-N -1 0 308.342 -0.902 20 0 DBADRM O=C(CC1CCC1)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001459040655 1008925510 /nfs/dbraw/zinc/92/55/10/1008925510.db2.gz CDRZKAHVLNFHTF-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM CN(CCCN(C)C(=O)Cc1cnn(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001447329094 1009030390 /nfs/dbraw/zinc/03/03/90/1009030390.db2.gz UDXCCYAKYPXLGV-UHFFFAOYSA-N -1 0 321.385 -0.233 20 0 DBADRM CC(=O)N1CCC[C@](C)(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001459592778 1009039320 /nfs/dbraw/zinc/03/93/20/1009039320.db2.gz IHQPFYFZODYVRS-CYBMUJFWSA-N -1 0 311.342 -0.546 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC001447367458 1009047872 /nfs/dbraw/zinc/04/78/72/1009047872.db2.gz YZWJJHMRSDMGIG-SECBINFHSA-N -1 0 303.388 -0.024 20 0 DBADRM Nc1nc2nc(CN3CCC[C@]34CCOC4=O)cc(=O)n2[n-]1 ZINC001459988769 1009070449 /nfs/dbraw/zinc/07/04/49/1009070449.db2.gz JZISCLVPLLJRRE-CYBMUJFWSA-N -1 0 304.310 -0.719 20 0 DBADRM CS(C)(=O)=NC(=O)CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001460173508 1009075410 /nfs/dbraw/zinc/07/54/10/1009075410.db2.gz SMONOEXNJZIATF-QMMMGPOBSA-N -1 0 301.372 -0.056 20 0 DBADRM CC[C@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001447415697 1009078974 /nfs/dbraw/zinc/07/89/74/1009078974.db2.gz NBBCOUDYMGKIIZ-FXQIFTODSA-N -1 0 309.326 -0.294 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1CCS(=O)(=O)C1 ZINC001462798352 1009177024 /nfs/dbraw/zinc/17/70/24/1009177024.db2.gz MGBGFQUFKBGMBT-QMMMGPOBSA-N -1 0 318.442 -0.484 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCCNC(=O)c1ccc(OC)cc1 ZINC001463161097 1009194655 /nfs/dbraw/zinc/19/46/55/1009194655.db2.gz FXNUIMNLBFTRQG-UHFFFAOYSA-N -1 0 323.349 -0.001 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](C)CS(C)(=O)=O ZINC001463348138 1009209765 /nfs/dbraw/zinc/20/97/65/1009209765.db2.gz NKZXXCLOXYANOQ-MRVPVSSYSA-N -1 0 320.458 -0.238 20 0 DBADRM C[C@@](O)(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1ccccc1 ZINC001447644539 1009210076 /nfs/dbraw/zinc/21/00/76/1009210076.db2.gz JOLHVGJAPCGSTM-ZDUSSCGKSA-N -1 0 314.363 -0.524 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCNC(=O)C3)cc2=O)n1 ZINC001463546754 1009226412 /nfs/dbraw/zinc/22/64/12/1009226412.db2.gz VPRQRJZEJSJQTN-UHFFFAOYSA-N -1 0 316.321 -0.856 20 0 DBADRM COc1cc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2=O)sn1 ZINC001463694162 1009234227 /nfs/dbraw/zinc/23/42/27/1009234227.db2.gz QNAGSHWNWNPJJO-RXMQYKEDSA-N -1 0 305.337 -0.813 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C)nn2)C1=O ZINC001463651667 1009236773 /nfs/dbraw/zinc/23/67/73/1009236773.db2.gz QBYHEJYQYIEVHI-LLVKDONJSA-N -1 0 313.339 -0.301 20 0 DBADRM CC[C@@](COC)([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)OC ZINC001463837472 1009247764 /nfs/dbraw/zinc/24/77/64/1009247764.db2.gz QQWCKMQAZZVNPF-CABZTGNLSA-N -1 0 324.399 -0.649 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NCc1nc(=O)o[n-]1 ZINC001463821835 1009248655 /nfs/dbraw/zinc/24/86/55/1009248655.db2.gz YEHCVKVVZULFTH-GOSISDBHSA-N -1 0 312.373 -0.406 20 0 DBADRM CCN(OC)C(=O)C[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001463944879 1009268191 /nfs/dbraw/zinc/26/81/91/1009268191.db2.gz HTXYATVECXQIND-UHFFFAOYSA-N -1 0 320.323 -0.246 20 0 DBADRM CN(C)C(=O)C=CC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001447743620 1009281280 /nfs/dbraw/zinc/28/12/80/1009281280.db2.gz NIBMJHCQLOHWPZ-FPLPWBNLSA-N -1 0 302.294 -0.049 20 0 DBADRM C[C@H](CNC(=O)C(F)F)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001447747450 1009282412 /nfs/dbraw/zinc/28/24/12/1009282412.db2.gz YLVWRWNWPJKVQE-ZCFIWIBFSA-N -1 0 321.284 -0.645 20 0 DBADRM CN(C)c1noc(CCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])n1 ZINC001598364815 1017256755 /nfs/dbraw/zinc/25/67/55/1017256755.db2.gz DVRSVVJCOMPWLN-LDYMZIIASA-N -1 0 312.326 -0.326 20 0 DBADRM CN(C)c1ccnc(NC(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001598346708 1017257141 /nfs/dbraw/zinc/25/71/41/1017257141.db2.gz ZCSKJBDGSUJALF-UHFFFAOYSA-N -1 0 320.313 -0.346 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N[C@H](C(=O)[O-])c2cccnc2)n1 ZINC001598351979 1017257310 /nfs/dbraw/zinc/25/73/10/1017257310.db2.gz FWTONARVTMBMDG-QMMMGPOBSA-N -1 0 317.309 -0.530 20 0 DBADRM CN(C)c1noc(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001598364619 1017257442 /nfs/dbraw/zinc/25/74/42/1017257442.db2.gz NOPALVMLPHTWTF-JGVFFNPUSA-N -1 0 313.314 -0.887 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)c2ccc(C(=O)[O-])n2C)n1 ZINC001598355095 1017257779 /nfs/dbraw/zinc/25/77/79/1017257779.db2.gz YFWHWIOSRRSZDI-UHFFFAOYSA-N -1 0 320.309 -0.087 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H](O)[C@H]1CCCO1 ZINC001464082838 1009292532 /nfs/dbraw/zinc/29/25/32/1009292532.db2.gz RTEQLJZQYWUNSS-NXEZZACHSA-N -1 0 314.429 -0.132 20 0 DBADRM CN(C)c1ncc(CNC(=O)c2cc(C(=O)[O-])nn2C)n1C ZINC001598359692 1017258018 /nfs/dbraw/zinc/25/80/18/1017258018.db2.gz ZAAXXWFMZGMXEV-UHFFFAOYSA-N -1 0 306.326 -0.152 20 0 DBADRM CN(C)c1ccnc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1 ZINC001598345992 1017258181 /nfs/dbraw/zinc/25/81/81/1017258181.db2.gz LKRGEQUINKQECU-LBPRGKRZSA-N -1 0 320.349 -0.047 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])n1 ZINC001598352751 1017258394 /nfs/dbraw/zinc/25/83/94/1017258394.db2.gz QOCPQGVQDOLWHW-QMMMGPOBSA-N -1 0 308.342 -0.250 20 0 DBADRM CN(C)c1noc(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n1 ZINC001598364618 1017258489 /nfs/dbraw/zinc/25/84/89/1017258489.db2.gz NOPALVMLPHTWTF-HTQZYQBOSA-N -1 0 313.314 -0.887 20 0 DBADRM CN([C@@]1(CO)CCOC1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001598370826 1017259663 /nfs/dbraw/zinc/25/96/63/1017259663.db2.gz FYAFIHFWEFLQBU-LLVKDONJSA-N -1 0 305.308 -0.250 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c1[O-] ZINC001464305172 1009305161 /nfs/dbraw/zinc/30/51/61/1009305161.db2.gz RZJYGHFLKYYQID-VIFPVBQESA-N -1 0 316.383 -0.032 20 0 DBADRM CN(C1CC1)S(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001598371077 1017260128 /nfs/dbraw/zinc/26/01/28/1017260128.db2.gz RVRKWCPRCDVPOI-UHFFFAOYSA-N -1 0 301.328 -0.828 20 0 DBADRM CN([C@]1(CO)CCOC1)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001598366233 1017260728 /nfs/dbraw/zinc/26/07/28/1017260728.db2.gz JRCDCWYVARFKEN-JTQLQIEISA-N -1 0 306.296 -0.855 20 0 DBADRM CN(CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C1CCC1 ZINC001598380632 1017260752 /nfs/dbraw/zinc/26/07/52/1017260752.db2.gz LBRRILSMLLVZRU-SNVBAGLBSA-N -1 0 304.368 -0.819 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC001464396637 1009310824 /nfs/dbraw/zinc/31/08/24/1009310824.db2.gz BQGOHABIFGCARF-LURJTMIESA-N -1 0 321.384 -0.237 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)n1 ZINC001464431038 1009313056 /nfs/dbraw/zinc/31/30/56/1009313056.db2.gz XKOLUNRMNAUABG-UHFFFAOYSA-N -1 0 322.350 -0.097 20 0 DBADRM CN(CC(=O)NC1CC1)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598387227 1017261363 /nfs/dbraw/zinc/26/13/63/1017261363.db2.gz SRBKPVNPUJKOCW-UHFFFAOYSA-N -1 0 302.312 -0.993 20 0 DBADRM CN([C@@H]1CCNC1=O)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001598374432 1017261584 /nfs/dbraw/zinc/26/15/84/1017261584.db2.gz CHXZZDMTBIBYIX-BBBLOLIVSA-N -1 0 304.368 -0.220 20 0 DBADRM CN(CC(=O)N1CCCC1)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001598380995 1017261716 /nfs/dbraw/zinc/26/17/16/1017261716.db2.gz RUYUIVXANZARGB-ZYHUDNBSSA-N -1 0 313.354 -0.260 20 0 DBADRM CN(C1CS(=O)(=O)C1)[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001598376320 1017261931 /nfs/dbraw/zinc/26/19/31/1017261931.db2.gz QPLZPMHBEDAZIN-SNVBAGLBSA-N -1 0 304.368 -0.819 20 0 DBADRM CN(CC(=O)Nc1cccc(C(=O)[O-])n1)[C@]1(CO)CCOC1 ZINC001598400311 1017263565 /nfs/dbraw/zinc/26/35/65/1017263565.db2.gz HSKWOUJRRDJBHI-AWEZNQCLSA-N -1 0 309.322 -0.199 20 0 DBADRM CN(CC(=O)NC[C@H](F)C(=O)[O-])S(=O)(=O)c1ccccc1 ZINC001598392053 1017264720 /nfs/dbraw/zinc/26/47/20/1017264720.db2.gz XDLNHPRYVBVABI-JTQLQIEISA-N -1 0 318.326 -0.154 20 0 DBADRM CN(CC(=O)NCc1ccco1)[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001598392972 1017265173 /nfs/dbraw/zinc/26/51/73/1017265173.db2.gz XAMPWYWVWATRSU-LBPRGKRZSA-N -1 0 323.349 -0.097 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001464695971 1009336151 /nfs/dbraw/zinc/33/61/51/1009336151.db2.gz MVRXJRKJUPGWCW-BQBZGAKWSA-N -1 0 320.289 -0.307 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC001464747513 1009339090 /nfs/dbraw/zinc/33/90/90/1009339090.db2.gz TZLYPUCQNNJZAT-NSHDSACASA-N -1 0 317.305 -0.611 20 0 DBADRM COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnn[n-]1 ZINC001464850158 1009345242 /nfs/dbraw/zinc/34/52/42/1009345242.db2.gz OLEDWRUTVXIGAU-QMMMGPOBSA-N -1 0 314.346 -0.254 20 0 DBADRM CN(CC(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O)c1ncccn1 ZINC001598417296 1017267278 /nfs/dbraw/zinc/26/72/78/1017267278.db2.gz FRXPCMAIGOTBOJ-JTQLQIEISA-N -1 0 322.321 -0.468 20 0 DBADRM CN(CC(C)(C)C)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001598419505 1017267321 /nfs/dbraw/zinc/26/73/21/1017267321.db2.gz KEQFIAPOSPANGG-UWVGGRQHSA-N -1 0 300.355 -0.215 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)c1cc(C(=O)[O-])ccn1 ZINC001598435328 1017267358 /nfs/dbraw/zinc/26/73/58/1017267358.db2.gz FKPSQZGYZZLOSP-GFCCVEGCSA-N -1 0 323.349 -0.455 20 0 DBADRM CN(C[C@H](O)CN1C[C@@H](O)C[C@@H]1C(=O)[O-])C(=O)OC(C)(C)C ZINC001598437116 1017269143 /nfs/dbraw/zinc/26/91/43/1017269143.db2.gz SWMRZTNFXIUVCZ-GARJFASQSA-N -1 0 318.370 -0.266 20 0 DBADRM O=C(c1cccc2ncnn21)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001464878733 1009349043 /nfs/dbraw/zinc/34/90/43/1009349043.db2.gz DIVIAROGAZQFCU-VIFPVBQESA-N -1 0 300.282 -0.544 20 0 DBADRM CN(CC(F)(F)F)C(=O)CN1[C@H](C(=O)[O-])CCS1(=O)=O ZINC001598429285 1017268024 /nfs/dbraw/zinc/26/80/24/1017268024.db2.gz CVNYOAAARCVGLT-LURJTMIESA-N -1 0 318.273 -0.504 20 0 DBADRM CN(C[C@H](O)CN(C)c1ncc(C(=O)[O-])cn1)C(=O)C1CC1 ZINC001598432142 1017268076 /nfs/dbraw/zinc/26/80/76/1017268076.db2.gz BUSHRRGDFSFDNN-NSHDSACASA-N -1 0 308.338 -0.160 20 0 DBADRM COC(=O)[C@@H](C)CN(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001464891309 1009350167 /nfs/dbraw/zinc/35/01/67/1009350167.db2.gz OMPUDASNABWOFV-VIFPVBQESA-N -1 0 318.337 -0.044 20 0 DBADRM C[C@@H](NC(=O)c1cnc[nH]c1=O)[C@H](C)NCc1nncn1C ZINC001447850804 1009352569 /nfs/dbraw/zinc/35/25/69/1009352569.db2.gz DDPLXZUQILBMJC-DTWKUNHWSA-N -1 0 305.342 -0.393 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC001465067172 1009362866 /nfs/dbraw/zinc/36/28/66/1009362866.db2.gz MTZNFJQAGRMTHQ-MRVPVSSYSA-N -1 0 307.310 -0.490 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(CC[S@@](C)=O)CC2)c1[O-] ZINC001465321418 1009367722 /nfs/dbraw/zinc/36/77/22/1009367722.db2.gz OSXGFLDBXMWACM-HXUWFJFHSA-N -1 0 300.384 -0.440 20 0 DBADRM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC001465345098 1009370276 /nfs/dbraw/zinc/37/02/76/1009370276.db2.gz CCOSPUJHORCWRO-BDAKNGLRSA-N -1 0 324.337 -0.325 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)CSc2n[nH]c(=O)[n-]2)CC1=O ZINC001465480842 1009377194 /nfs/dbraw/zinc/37/71/94/1009377194.db2.gz VPRPDWNNECEQAT-CSMHCCOUSA-N -1 0 311.367 -0.272 20 0 DBADRM NC(=O)c1ccc(CNC(=O)c2c[n-]n3c2nccc3=O)o1 ZINC001465636494 1009383745 /nfs/dbraw/zinc/38/37/45/1009383745.db2.gz IHNSSXVOLMBPKH-UHFFFAOYSA-N -1 0 301.262 -0.356 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001465725630 1009386507 /nfs/dbraw/zinc/38/65/07/1009386507.db2.gz WVGKTPUUCHMHPO-UHNVWZDZSA-N -1 0 307.232 -0.559 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCC(=O)OCc1ccccc1 ZINC001465799754 1009388905 /nfs/dbraw/zinc/38/89/05/1009388905.db2.gz KFYCRNUMDBJWJC-UHFFFAOYSA-N -1 0 320.305 -0.061 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001466078069 1009397653 /nfs/dbraw/zinc/39/76/53/1009397653.db2.gz PLKQBKYAKFJTKG-ZETCQYMHSA-N -1 0 318.355 -0.361 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C[C@@H]1O ZINC001466148802 1009403324 /nfs/dbraw/zinc/40/33/24/1009403324.db2.gz MKAJRVJIOXRXMQ-KWQFWETISA-N -1 0 304.306 -0.281 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001466126647 1009403454 /nfs/dbraw/zinc/40/34/54/1009403454.db2.gz UIGIGKDJKAGQGB-UHFFFAOYSA-N -1 0 322.412 -0.116 20 0 DBADRM C[C@H](CO[N-]C(=O)Cn1cnc(N)n1)NC(=O)OC(C)(C)C ZINC001466138462 1009405243 /nfs/dbraw/zinc/40/52/43/1009405243.db2.gz XWAYVXXBNXNUJQ-MRVPVSSYSA-N -1 0 314.346 -0.179 20 0 DBADRM COC[C@H](NC(=O)c1ncc(Br)cc1[O-])C(N)=O ZINC001466154523 1009408201 /nfs/dbraw/zinc/40/82/01/1009408201.db2.gz FFXZMUULWLZIEK-LURJTMIESA-N -1 0 318.127 -0.220 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC001466547503 1009429095 /nfs/dbraw/zinc/42/90/95/1009429095.db2.gz VBFAPBPJWNSNRT-UHFFFAOYSA-N -1 0 309.374 -0.115 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1nc([C@H]2CCCO2)n[nH]1 ZINC001466547345 1009429689 /nfs/dbraw/zinc/42/96/89/1009429689.db2.gz NQCLIRTVAZTRPL-SSDOTTSWSA-N -1 0 307.318 -0.594 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)c1nc[n-]c(=O)c1Br ZINC001466570932 1009434131 /nfs/dbraw/zinc/43/41/31/1009434131.db2.gz LHAQRMWGKIMDCS-BYPYZUCNSA-N -1 0 320.099 -0.792 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N(C)C[C@H](C)c2nnn[n-]2)C[C@H]1C ZINC001466678083 1009436624 /nfs/dbraw/zinc/43/66/24/1009436624.db2.gz VKBINEQXTUGHIC-UTINFBMNSA-N -1 0 311.342 -0.272 20 0 DBADRM C[C@H](CN(C)C(=O)c1ccc(S(C)(=O)=O)nc1)c1nnn[n-]1 ZINC001466677957 1009436953 /nfs/dbraw/zinc/43/69/53/1009436953.db2.gz UQYUZLVBRZSFAH-MRVPVSSYSA-N -1 0 324.366 -0.126 20 0 DBADRM CCn1cc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001447997880 1009438042 /nfs/dbraw/zinc/43/80/42/1009438042.db2.gz WGWKLNUTKCABKN-SECBINFHSA-N -1 0 307.358 -0.023 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H](CCO)C1CCOCC1 ZINC001466711997 1009439116 /nfs/dbraw/zinc/43/91/16/1009439116.db2.gz VWVZDRMETPQEKM-SECBINFHSA-N -1 0 316.383 -0.104 20 0 DBADRM CCn1cc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001447997885 1009441143 /nfs/dbraw/zinc/44/11/43/1009441143.db2.gz WGWKLNUTKCABKN-VIFPVBQESA-N -1 0 307.358 -0.023 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](OCc2ccncc2)C1 ZINC001466837061 1009453296 /nfs/dbraw/zinc/45/32/96/1009453296.db2.gz BHVXXTUOUGHHDU-NSHDSACASA-N -1 0 319.321 -0.098 20 0 DBADRM Cn1nccc1COCC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC001448013173 1009454252 /nfs/dbraw/zinc/45/42/52/1009454252.db2.gz CIJBKODFZMCYFT-JTQLQIEISA-N -1 0 323.382 -0.234 20 0 DBADRM O=C(C1=C2CCCN=C2NN1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001448013063 1009455419 /nfs/dbraw/zinc/45/54/19/1009455419.db2.gz AYKOTSOFMHIUDH-QMMMGPOBSA-N -1 0 320.382 -0.630 20 0 DBADRM C=CC(=O)N(C)CC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001466901918 1009456996 /nfs/dbraw/zinc/45/69/96/1009456996.db2.gz OYPNUWHJIVAIFH-UHFFFAOYSA-N -1 0 302.294 -0.049 20 0 DBADRM Cc1cccc(C[C@@H](CO)NC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001466902271 1009457312 /nfs/dbraw/zinc/45/73/12/1009457312.db2.gz UKCLPOKXZUPYDX-NSHDSACASA-N -1 0 306.322 -0.282 20 0 DBADRM O=C(C[C@H]1CCC(=O)NC1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001448015722 1009460969 /nfs/dbraw/zinc/46/09/69/1009460969.db2.gz GSVOIHURMYBDJR-BDAKNGLRSA-N -1 0 310.383 -0.268 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1ccc(S(C)(=O)=O)nn1 ZINC001467209120 1009472550 /nfs/dbraw/zinc/47/25/50/1009472550.db2.gz ZZMCDYZCNPGNSJ-UHFFFAOYSA-N -1 0 317.327 -0.931 20 0 DBADRM NC(=O)NCCCCC(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001467283371 1009479829 /nfs/dbraw/zinc/47/98/29/1009479829.db2.gz UXMLDUIJRDWCDS-MRVPVSSYSA-N -1 0 313.387 -0.345 20 0 DBADRM NC(=O)NCCCCC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC001467283386 1009480138 /nfs/dbraw/zinc/48/01/38/1009480138.db2.gz UXMLDUIJRDWCDS-QMMMGPOBSA-N -1 0 313.387 -0.345 20 0 DBADRM CC(C)(C)OC(=O)NCC1(C(=O)[N-]OCCO)CC(O)C1 ZINC001467302204 1009484768 /nfs/dbraw/zinc/48/47/68/1009484768.db2.gz RRVKPUHXXREJJV-UHFFFAOYSA-N -1 0 304.343 -0.308 20 0 DBADRM Cc1c(CC(=O)N2CCC(O)(c3nnn[n-]3)CC2)cnn1C ZINC001467456827 1009494021 /nfs/dbraw/zinc/49/40/21/1009494021.db2.gz UJOGOZSZEBLBPE-UHFFFAOYSA-N -1 0 305.342 -0.706 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)C[C@@H]2CCC(=O)N2)c1[O-] ZINC001448050110 1009495756 /nfs/dbraw/zinc/49/57/56/1009495756.db2.gz ABEGCJHFXIOJER-CBAPKCEASA-N -1 0 323.353 -0.673 20 0 DBADRM Cc1nnccc1C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448053781 1009496156 /nfs/dbraw/zinc/49/61/56/1009496156.db2.gz LPZYZCMAXJKCCD-QMMMGPOBSA-N -1 0 305.342 -0.141 20 0 DBADRM C[C@H](CNC(=O)CCc1nccn1C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448067890 1009507605 /nfs/dbraw/zinc/50/76/05/1009507605.db2.gz LHOOZDHCNHOTDG-SNVBAGLBSA-N -1 0 321.385 -0.187 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ncc(Br)cn1 ZINC001467597553 1009510403 /nfs/dbraw/zinc/51/04/03/1009510403.db2.gz GTUXWSQHNSAYDH-UHFFFAOYSA-N -1 0 314.099 -0.112 20 0 DBADRM Cc1cc(N2CCC[C@H](NC(=O)CCc3nnn[n-]3)C2)n(C)n1 ZINC001467609665 1009510500 /nfs/dbraw/zinc/51/05/00/1009510500.db2.gz SGTAFDSBFAFTRW-NSHDSACASA-N -1 0 318.385 -0.041 20 0 DBADRM CC1(C)CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@H]1O ZINC001467755316 1009516569 /nfs/dbraw/zinc/51/65/69/1009516569.db2.gz WFVFBZZUDJUUJU-LLVKDONJSA-N -1 0 302.338 -0.082 20 0 DBADRM Cc1cnc(CN(C)[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001448123754 1009543275 /nfs/dbraw/zinc/54/32/75/1009543275.db2.gz RCLATKNUYJEDFQ-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001468229333 1009549807 /nfs/dbraw/zinc/54/98/07/1009549807.db2.gz WWNJBMLEXMPEME-QMMMGPOBSA-N -1 0 318.355 -0.885 20 0 DBADRM C[C@H](CNC(=O)C1(C)CCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001448136283 1009558002 /nfs/dbraw/zinc/55/80/02/1009558002.db2.gz ZPGMHHRYHNQIDT-SECBINFHSA-N -1 0 322.365 -0.089 20 0 DBADRM CN(CC1(O)CCC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001598443260 1017270334 /nfs/dbraw/zinc/27/03/34/1017270334.db2.gz SYCLTPQJGKPBIW-UHFFFAOYSA-N -1 0 303.340 -0.497 20 0 DBADRM CC(C)(C)OC(=O)[C@]1(C(=O)Nn2c(=O)[n-][nH]c2=O)CCCO1 ZINC001468542254 1009571681 /nfs/dbraw/zinc/57/16/81/1009571681.db2.gz WORIVSDFYFDXNB-GFCCVEGCSA-N -1 0 314.298 -0.350 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC001598470566 1017272078 /nfs/dbraw/zinc/27/20/78/1017272078.db2.gz OSDNRFXHNBVTDH-LBPRGKRZSA-N -1 0 306.384 -0.125 20 0 DBADRM Cc1noc(CNC(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)n1 ZINC001468641021 1009577397 /nfs/dbraw/zinc/57/73/97/1009577397.db2.gz XBGKREUDUWFLHT-SECBINFHSA-N -1 0 319.325 -0.048 20 0 DBADRM Cn1nncc1CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001468620632 1009580112 /nfs/dbraw/zinc/58/01/12/1009580112.db2.gz BXNUOHQQAURRPJ-UHFFFAOYSA-N -1 0 315.293 -0.675 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001598467049 1017273125 /nfs/dbraw/zinc/27/31/25/1017273125.db2.gz HDLNTGYUSHQBTI-OUAUKWLOSA-N -1 0 302.327 -0.467 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC001598471471 1017274190 /nfs/dbraw/zinc/27/41/90/1017274190.db2.gz ORFQYFRYYLIYJS-SNVBAGLBSA-N -1 0 319.383 -0.619 20 0 DBADRM CN(CCCNC(=O)CCn1cncn1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598478960 1017274993 /nfs/dbraw/zinc/27/49/93/1017274993.db2.gz FARJNMNJVJRRRK-WDEREUQCSA-N -1 0 323.353 -0.646 20 0 DBADRM CN(CCCNC(=O)CCn1cncn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598478958 1017275103 /nfs/dbraw/zinc/27/51/03/1017275103.db2.gz FARJNMNJVJRRRK-MNOVXSKESA-N -1 0 323.353 -0.646 20 0 DBADRM CN(CCCF)C(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001598477760 1017275430 /nfs/dbraw/zinc/27/54/30/1017275430.db2.gz WDQRVKMWFCWYKH-IINYFYTJSA-N -1 0 316.329 -0.246 20 0 DBADRM CN(CCCCO)C(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001598476350 1017275614 /nfs/dbraw/zinc/27/56/14/1017275614.db2.gz RCXNUCSYMQHQSA-UHFFFAOYSA-N -1 0 300.355 -0.023 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598477526 1017275729 /nfs/dbraw/zinc/27/57/29/1017275729.db2.gz QACIOTQPYHYRTI-FHUSYTEZSA-N -1 0 324.377 -0.094 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)CC(C)(C)O ZINC001598480251 1017276592 /nfs/dbraw/zinc/27/65/92/1017276592.db2.gz USJGBASHVZWVKR-UWVGGRQHSA-N -1 0 300.355 -0.167 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1ccn(C)n1 ZINC001598480194 1017277003 /nfs/dbraw/zinc/27/70/03/1017277003.db2.gz SQODZQBHEZILPS-NXEZZACHSA-N -1 0 308.338 -0.281 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C(C)(C)CN1CCOCC1 ZINC001468931597 1009602647 /nfs/dbraw/zinc/60/26/47/1009602647.db2.gz YNQRKKPYRWEXRY-UHFFFAOYSA-N -1 0 313.358 -0.742 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1ncn(C)n1 ZINC001598479378 1017277104 /nfs/dbraw/zinc/27/71/04/1017277104.db2.gz IZAVYCSJCLLSNT-IUCAKERBSA-N -1 0 309.326 -0.886 20 0 DBADRM CN(CCCNC(=O)[C@H]1CCNC1=O)c1ccnc(C(=O)[O-])n1 ZINC001598479951 1017277473 /nfs/dbraw/zinc/27/74/73/1017277473.db2.gz OXFNPNWZTGPMFP-SECBINFHSA-N -1 0 321.337 -0.747 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC12CC2 ZINC001448184694 1009605277 /nfs/dbraw/zinc/60/52/77/1009605277.db2.gz DTFPCKPGLJDYRX-VIFPVBQESA-N -1 0 307.354 -0.637 20 0 DBADRM CN(CCCNC(=O)c1ccc(C(=O)[O-])n1C)S(C)(=O)=O ZINC001598480871 1017277556 /nfs/dbraw/zinc/27/75/56/1017277556.db2.gz AFJRWOWLPCDCTL-UHFFFAOYSA-N -1 0 317.367 -0.265 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001598479900 1017277689 /nfs/dbraw/zinc/27/76/89/1017277689.db2.gz NSQNUKZOCPJZTK-JCIQBVFBSA-N -1 0 310.350 -0.436 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC001598480966 1017277949 /nfs/dbraw/zinc/27/79/49/1017277949.db2.gz OPAKLHZLXAOCQN-IQJOONFLSA-N -1 0 319.383 -0.777 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001598479903 1017277974 /nfs/dbraw/zinc/27/79/74/1017277974.db2.gz NSQNUKZOCPJZTK-RNWYCLNJSA-N -1 0 310.350 -0.436 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)CCc1nnc[nH]1 ZINC001598479974 1017277983 /nfs/dbraw/zinc/27/79/83/1017277983.db2.gz PHPLVWFMHUWMCP-VHSXEESVSA-N -1 0 323.353 -0.577 20 0 DBADRM CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)C1=COCCO1 ZINC001598482431 1017278593 /nfs/dbraw/zinc/27/85/93/1017278593.db2.gz AOUPGUWAVOTPJJ-UHFFFAOYSA-N -1 0 322.321 -0.255 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1cc[n+]([O-])cc1 ZINC001598486617 1017278696 /nfs/dbraw/zinc/27/86/96/1017278696.db2.gz SMHAJNDTMBRPHX-VXGBXAGGSA-N -1 0 321.333 -0.429 20 0 DBADRM CN(CCCNC(=O)c1cn[nH]n1)c1ccnc(C(=O)[O-])n1 ZINC001598481558 1017279044 /nfs/dbraw/zinc/27/90/44/1017279044.db2.gz TXHPGUBTYUSGOF-UHFFFAOYSA-N -1 0 305.298 -0.451 20 0 DBADRM CN(CCCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H]1CCC(=O)N1 ZINC001598483526 1017279219 /nfs/dbraw/zinc/27/92/19/1017279219.db2.gz SETHBMHNWKQLFU-SNVBAGLBSA-N -1 0 321.337 -0.286 20 0 DBADRM Cc1c[nH]cc1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001448197999 1009614323 /nfs/dbraw/zinc/61/43/23/1009614323.db2.gz BJLVWAWAAXBXSH-UHFFFAOYSA-N -1 0 320.353 -0.486 20 0 DBADRM CN(CCN(C)c1ccnc(C(=O)[O-])n1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001598485240 1017279341 /nfs/dbraw/zinc/27/93/41/1017279341.db2.gz RAYQFHUBNYCVAM-IAZYJMLFSA-N -1 0 320.349 -0.038 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])CC(=O)Nc1ccon1 ZINC001598485861 1017279380 /nfs/dbraw/zinc/27/93/80/1017279380.db2.gz GMLLDTWTCBLCKJ-UWVGGRQHSA-N -1 0 324.337 -0.276 20 0 DBADRM CN(CCCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H]1COC(=O)N1 ZINC001598483628 1017279709 /nfs/dbraw/zinc/27/97/09/1017279709.db2.gz XBBJHJVTCDFGBF-SECBINFHSA-N -1 0 323.309 -0.456 20 0 DBADRM CN(CCCn1ccnc1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001598485887 1017280217 /nfs/dbraw/zinc/28/02/17/1017280217.db2.gz XMADBCOQMLVJIA-UHFFFAOYSA-N -1 0 321.341 -0.096 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1cn(C)cn1 ZINC001598485184 1017280361 /nfs/dbraw/zinc/28/03/61/1017280361.db2.gz CUMNHUBBWLITDF-UWVGGRQHSA-N -1 0 308.338 -0.329 20 0 DBADRM CC(C)(CCNC(=O)CCCc1nnn[n-]1)S(C)(=O)=O ZINC001469073810 1009619155 /nfs/dbraw/zinc/61/91/55/1009619155.db2.gz MSVCPZOKMJFEFN-UHFFFAOYSA-N -1 0 303.388 -0.148 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)C1=CCOCC1 ZINC001598486804 1017280487 /nfs/dbraw/zinc/28/04/87/1017280487.db2.gz WBZYJNIGSDGMHD-RYUDHWBXSA-N -1 0 310.350 -0.029 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)CCc1ncccn1 ZINC001598489222 1017281082 /nfs/dbraw/zinc/28/10/82/1017281082.db2.gz LPGHGRSONGUWTP-WDEREUQCSA-N -1 0 320.349 -0.296 20 0 DBADRM Cc1nccnc1N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001448201945 1009624044 /nfs/dbraw/zinc/62/40/44/1009624044.db2.gz PXECLTPONPBCRE-UHFFFAOYSA-N -1 0 319.325 -0.863 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)CCc1cnccn1 ZINC001598489090 1017282290 /nfs/dbraw/zinc/28/22/90/1017282290.db2.gz LCZLLTWWSJPBLS-RYUDHWBXSA-N -1 0 320.349 -0.296 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1n[nH]c2c1CCC2 ZINC001598489365 1017282942 /nfs/dbraw/zinc/28/29/42/1017282942.db2.gz OLFYNTPENDVXCP-ZJUUUORDSA-N -1 0 320.349 -0.193 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1nc(=O)o[n-]1 ZINC001469342411 1009652553 /nfs/dbraw/zinc/65/25/53/1009652553.db2.gz MKBKJEOBHJGTJQ-RNFRBKRXSA-N -1 0 318.355 -0.742 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001469450170 1009656317 /nfs/dbraw/zinc/65/63/17/1009656317.db2.gz QBKRJHNAURPPOM-UHFFFAOYSA-N -1 0 308.294 -0.413 20 0 DBADRM Cn1nnc2c1CC[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C2 ZINC001469521890 1009668868 /nfs/dbraw/zinc/66/88/68/1009668868.db2.gz UBCILIUHCTWYKS-LURJTMIESA-N -1 0 309.355 -0.595 20 0 DBADRM Cc1nnc(CC(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001448280520 1009675857 /nfs/dbraw/zinc/67/58/57/1009675857.db2.gz GXHWXXOFEZYGRS-SSDOTTSWSA-N -1 0 320.357 -0.884 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001469748301 1009683700 /nfs/dbraw/zinc/68/37/00/1009683700.db2.gz CXQXXWRWXINRAF-DDIDRBJESA-N -1 0 300.340 -0.799 20 0 DBADRM COCC1(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001448308139 1009700074 /nfs/dbraw/zinc/70/00/74/1009700074.db2.gz QUYSDFNNFCDLQU-SECBINFHSA-N -1 0 309.370 -0.127 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1nc(-c2ccccn2)n[nH]1 ZINC001470160602 1009719382 /nfs/dbraw/zinc/71/93/82/1009719382.db2.gz XRLRYYURQQJPAZ-UHFFFAOYSA-N -1 0 305.298 -0.657 20 0 DBADRM COc1cc(CCC(=O)N2CCC(O)(c3nnn[n-]3)CC2)on1 ZINC001448342237 1009725011 /nfs/dbraw/zinc/72/50/11/1009725011.db2.gz FURSIFOJBCTOJN-UHFFFAOYSA-N -1 0 322.325 -0.361 20 0 DBADRM C[C@]1(CCC(=O)N2CCC(O)(c3nnn[n-]3)CC2)CCC(=O)N1 ZINC001448341510 1009725275 /nfs/dbraw/zinc/72/52/75/1009725275.db2.gz GCGZACQKPYWSQH-CYBMUJFWSA-N -1 0 322.369 -0.541 20 0 DBADRM O=C(c1cncnc1C1CC1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448350234 1009728868 /nfs/dbraw/zinc/72/88/68/1009728868.db2.gz PDZPOBDMBPVFMR-UHFFFAOYSA-N -1 0 315.337 -0.009 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2ccc(-c3nn[nH]n3)cn2)C(=O)N1C ZINC001470310386 1009732037 /nfs/dbraw/zinc/73/20/37/1009732037.db2.gz WRPOBDAWTLSLAV-LURJTMIESA-N -1 0 316.281 -0.811 20 0 DBADRM CSCC[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)c1nnn[n-]1 ZINC001470330090 1009737422 /nfs/dbraw/zinc/73/74/22/1009737422.db2.gz XNXJOZVXDGCFLL-RQJHMYQMSA-N -1 0 322.416 -0.952 20 0 DBADRM O=C(NCCOCCF)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001470522116 1009753356 /nfs/dbraw/zinc/75/33/56/1009753356.db2.gz MBNBEBSRKANIJD-UHFFFAOYSA-N -1 0 310.285 -0.018 20 0 DBADRM CN(C)c1ncnc2c1cc(C(=O)N(C)c1nnn[n-]1)n2C ZINC001470571649 1009761307 /nfs/dbraw/zinc/76/13/07/1009761307.db2.gz MTVFJDKFFUNUNR-UHFFFAOYSA-N -1 0 301.314 -0.176 20 0 DBADRM CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001470570441 1009762816 /nfs/dbraw/zinc/76/28/16/1009762816.db2.gz CRZAVZIMBPAZPF-ZETCQYMHSA-N -1 0 300.319 -0.562 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CCNC(=O)Cn2cccn2)c1[O-] ZINC001448440353 1009772820 /nfs/dbraw/zinc/77/28/20/1009772820.db2.gz JUVNPGHDJWPWMG-SECBINFHSA-N -1 0 320.353 -0.055 20 0 DBADRM Cn1nc(C(=O)[N-]n2ccc(=O)[nH]c2=O)cc1Br ZINC001470661822 1009777006 /nfs/dbraw/zinc/77/70/06/1009777006.db2.gz UXVYGJBRBGZUEA-UHFFFAOYSA-N -1 0 314.099 -0.171 20 0 DBADRM O=C(NC1CC(CO)(CO)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC001470678187 1009778139 /nfs/dbraw/zinc/77/81/39/1009778139.db2.gz WTEXBQWRDGRKHP-UHFFFAOYSA-N -1 0 304.310 -0.875 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)[N-]n2ccc(=O)[nH]c2=O)cn1 ZINC001470661774 1009779112 /nfs/dbraw/zinc/77/91/12/1009779112.db2.gz UGYWMRCOYMCUQN-UHFFFAOYSA-N -1 0 310.291 -0.869 20 0 DBADRM CNC(=O)c1c(C)[nH]nc1NC(=O)c1c[n-]n2c1nccc2=O ZINC001470722204 1009782527 /nfs/dbraw/zinc/78/25/27/1009782527.db2.gz KRBAWMLGTAMOSM-UHFFFAOYSA-N -1 0 315.293 -0.334 20 0 DBADRM O=C(C[C@H]1CC(=O)NC1=O)Nc1ccccc1-c1nn[nH]n1 ZINC001470789203 1009786559 /nfs/dbraw/zinc/78/65/59/1009786559.db2.gz KBPHURJCXGVJTK-ZETCQYMHSA-N -1 0 300.278 -0.142 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001471336380 1009817902 /nfs/dbraw/zinc/81/79/02/1009817902.db2.gz KKODVELYCKAQRW-YUMQZZPRSA-N -1 0 315.305 -0.090 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC001471483910 1009825624 /nfs/dbraw/zinc/82/56/24/1009825624.db2.gz ZLEREMATHLVGBA-OAHLLOKOSA-N -1 0 320.349 -0.497 20 0 DBADRM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NCC(=O)[N-]OC)CC2 ZINC001471479851 1009826755 /nfs/dbraw/zinc/82/67/55/1009826755.db2.gz DRSHHSYVAMAUTG-MNOVXSKESA-N -1 0 315.370 -0.375 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N(Cc1nnn[n-]1)CC(C)C ZINC001471646088 1009834811 /nfs/dbraw/zinc/83/48/11/1009834811.db2.gz AVGWPPBLTLDMNQ-VIFPVBQESA-N -1 0 318.403 -0.488 20 0 DBADRM Cn1cnnc1[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001471649820 1009835758 /nfs/dbraw/zinc/83/57/58/1009835758.db2.gz HTFXBFHZLBEVFL-SECBINFHSA-N -1 0 321.341 -0.386 20 0 DBADRM CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)CCc1nnn[n-]1 ZINC001471780085 1009844243 /nfs/dbraw/zinc/84/42/43/1009844243.db2.gz FGGAEXLLNPYEMT-ZJUUUORDSA-N -1 0 311.342 -0.251 20 0 DBADRM COC[C@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1nnn[n-]1 ZINC001471843559 1009848381 /nfs/dbraw/zinc/84/83/81/1009848381.db2.gz KUEFMDOPIPUZIU-WDEREUQCSA-N -1 0 317.305 -0.215 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2C[C@H](CO)C2)c1 ZINC001472009480 1009860057 /nfs/dbraw/zinc/86/00/57/1009860057.db2.gz SAWRTGPNWYLINJ-ZKCHVHJHSA-N -1 0 300.336 -0.460 20 0 DBADRM C[S@@](=O)CCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001471997595 1009860262 /nfs/dbraw/zinc/86/02/62/1009860262.db2.gz IGLMOIAJWHPXDT-OAQYLSRUSA-N -1 0 308.367 -0.427 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCC(CN2CCNC2=O)CC1 ZINC001472146745 1009868561 /nfs/dbraw/zinc/86/85/61/1009868561.db2.gz YLQRZBFEFYPQMQ-UHFFFAOYSA-N -1 0 307.358 -0.604 20 0 DBADRM CCC[C@@H](C)C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001448772623 1009873248 /nfs/dbraw/zinc/87/32/48/1009873248.db2.gz YVIVONMGZWUGAK-MRVPVSSYSA-N -1 0 311.342 -0.093 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001448791511 1009877893 /nfs/dbraw/zinc/87/78/93/1009877893.db2.gz IIPUPVKGECRWNI-DTWKUNHWSA-N -1 0 324.337 -0.579 20 0 DBADRM CN(CCNC(=O)[C@@H]1CC1(C)C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001448805256 1009883569 /nfs/dbraw/zinc/88/35/69/1009883569.db2.gz VRRCHOXVZHJQME-ZETCQYMHSA-N -1 0 309.326 -0.483 20 0 DBADRM COC(=O)c1cc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cnc1C ZINC001472455393 1009885426 /nfs/dbraw/zinc/88/54/26/1009885426.db2.gz MIORIXGYWSAVIW-UHFFFAOYSA-N -1 0 307.266 -0.182 20 0 DBADRM O=C(C[C@H]1CCCS(=O)(=O)C1)NCCCc1n[nH]c(=O)[n-]1 ZINC001472518884 1009886880 /nfs/dbraw/zinc/88/68/80/1009886880.db2.gz GTKIIIJALSARNF-SECBINFHSA-N -1 0 316.383 -0.226 20 0 DBADRM CS[C@@H](C)CC(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001448815219 1009891850 /nfs/dbraw/zinc/89/18/50/1009891850.db2.gz HUQIVUCHJJSZNE-JGVFFNPUSA-N -1 0 303.388 -0.781 20 0 DBADRM COC(=O)C1(O)CN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC001472612823 1009892164 /nfs/dbraw/zinc/89/21/64/1009892164.db2.gz SFXVPYRJYKDKEZ-UHFFFAOYSA-N -1 0 319.273 -0.610 20 0 DBADRM NC(=O)c1ccc(C[N-]S(=O)(=O)N=S2(=O)CCCC2)o1 ZINC001475047793 1009993148 /nfs/dbraw/zinc/99/31/48/1009993148.db2.gz FNFQDFOIZNPDHP-UHFFFAOYSA-N -1 0 321.380 -0.025 20 0 DBADRM COCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ncc[n-]1)CC2 ZINC001475078211 1009994528 /nfs/dbraw/zinc/99/45/28/1009994528.db2.gz ALTUZAHARHJUOU-MRVPVSSYSA-N -1 0 312.355 -0.559 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-][C@H](CO)C(=O)OC ZINC001475139655 1010000737 /nfs/dbraw/zinc/00/07/37/1010000737.db2.gz BNIFYDAJEFLKTP-RKDXNWHRSA-N -1 0 311.356 -0.829 20 0 DBADRM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC001475160197 1010003182 /nfs/dbraw/zinc/00/31/82/1010003182.db2.gz RNBHGWXJNVUHNJ-MRVPVSSYSA-N -1 0 303.315 -0.037 20 0 DBADRM CCOC(=O)c1n[nH]c([C@@H](C)NS(=O)(=O)N2CCCC2)n1 ZINC001475481560 1010028588 /nfs/dbraw/zinc/02/85/88/1010028588.db2.gz YKDKUFDZMCJKNF-MRVPVSSYSA-N -1 0 317.371 -0.027 20 0 DBADRM CCOCCS(=O)(=O)N[C@@H](C)c1nc(C(=O)OCC)n[nH]1 ZINC001475480790 1010029634 /nfs/dbraw/zinc/02/96/34/1010029634.db2.gz IAGAVVXFOIGHJU-QMMMGPOBSA-N -1 0 320.371 -0.002 20 0 DBADRM O=S(=O)(NCc1nnnn1-c1ccccc1)c1ncc[n-]1 ZINC001475487836 1010033694 /nfs/dbraw/zinc/03/36/94/1010033694.db2.gz VHFFZSVYXUYQCB-UHFFFAOYSA-N -1 0 305.323 -0.136 20 0 DBADRM O=C1NCCO[C@H]2CCCN(S(=O)(=O)c3ncc[n-]3)[C@@H]12 ZINC001475609962 1010041164 /nfs/dbraw/zinc/04/11/64/1010041164.db2.gz BSIPRPVZBCGGJK-DTWKUNHWSA-N -1 0 300.340 -0.922 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCOC[C@H]1O ZINC001475640534 1010043822 /nfs/dbraw/zinc/04/38/22/1010043822.db2.gz FJDIFUVSZMCWKU-CXNNERTKSA-N -1 0 314.429 -0.133 20 0 DBADRM Cc1nc(CNS(=O)(=O)c2ncc[n-]2)sc1C(N)=O ZINC001475653576 1010042923 /nfs/dbraw/zinc/04/29/23/1010042923.db2.gz QSGOENSXWPXTTE-UHFFFAOYSA-N -1 0 301.353 -0.248 20 0 DBADRM CC[C@H](NC(=O)COCc1ocnc1C(=O)OC)C(=O)[O-] ZINC001595242376 1017080342 /nfs/dbraw/zinc/08/03/42/1017080342.db2.gz CJSSSAZECVZODH-ZETCQYMHSA-N -1 0 300.267 -0.043 20 0 DBADRM CN(C)Cc1nc(CNS(=O)(=O)c2cnnn2C)co1 ZINC001475723676 1010052344 /nfs/dbraw/zinc/05/23/44/1010052344.db2.gz YDORRTMLHOYYTH-UHFFFAOYSA-N -1 0 300.344 -0.657 20 0 DBADRM CC[C@H](NC(=O)CN1CCCC2(CC2)S1(=O)=O)C(=O)[O-] ZINC001595242506 1017081347 /nfs/dbraw/zinc/08/13/47/1017081347.db2.gz JEWLCNNPJFAXOA-VIFPVBQESA-N -1 0 304.368 -0.076 20 0 DBADRM CC[C@H](COC)NC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001595198546 1017081601 /nfs/dbraw/zinc/08/16/01/1017081601.db2.gz IVXSRNRZGWCZMY-KXUCPTDWSA-N -1 0 302.327 -0.073 20 0 DBADRM CCC[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccccn1)S(N)(=O)=O ZINC001595535837 1017089066 /nfs/dbraw/zinc/08/90/66/1017089066.db2.gz ICQKNXOIQWFQMP-VHSXEESVSA-N -1 0 315.351 -0.219 20 0 DBADRM CC[C@](COC)(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC001595199302 1017081853 /nfs/dbraw/zinc/08/18/53/1017081853.db2.gz AEEGEURRJFJHFE-GFCCVEGCSA-N -1 0 324.399 -0.189 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1cccc(OCC(=O)N(C)C)c1 ZINC001475985553 1010064096 /nfs/dbraw/zinc/06/40/96/1010064096.db2.gz KXTPWOGTQRKANJ-UHFFFAOYSA-N -1 0 324.337 -0.047 20 0 DBADRM CC[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C(C)(C)O ZINC001595243354 1017082551 /nfs/dbraw/zinc/08/25/51/1017082551.db2.gz ZTJHIPYLHMCONB-ZJUUUORDSA-N -1 0 300.355 -0.025 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC001476594875 1010072985 /nfs/dbraw/zinc/07/29/85/1010072985.db2.gz GDNISFOQYYFFSE-JTQLQIEISA-N -1 0 322.373 -0.474 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC001476595133 1010073010 /nfs/dbraw/zinc/07/30/10/1010073010.db2.gz NEGTUDVKNLRWFT-NSHDSACASA-N -1 0 315.337 -0.180 20 0 DBADRM CC[C@]1(C)NC(=O)N(NC(=O)CCSCC(=O)[O-])C1=O ZINC001595371425 1017083303 /nfs/dbraw/zinc/08/33/03/1017083303.db2.gz CWIYSHKSHCJAQD-NSHDSACASA-N -1 0 303.340 -0.054 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC001476594831 1010074087 /nfs/dbraw/zinc/07/40/87/1010074087.db2.gz DZYKWBZFAXHHTE-JTQLQIEISA-N -1 0 321.385 -0.117 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC001476594821 1010074772 /nfs/dbraw/zinc/07/47/72/1010074772.db2.gz DTELUYGAAHHSKA-JTQLQIEISA-N -1 0 310.358 -0.035 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001595392452 1017083569 /nfs/dbraw/zinc/08/35/69/1017083569.db2.gz DHBFTKMTQDOMPF-YGRLFVJLSA-N -1 0 314.338 -0.938 20 0 DBADRM CCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001595365421 1017084065 /nfs/dbraw/zinc/08/40/65/1017084065.db2.gz TZQUZDGYPKZXST-VHSXEESVSA-N -1 0 310.350 -0.413 20 0 DBADRM CCC1(Cn2cc(C(=O)N[C@](C)(CO)C(=O)[O-])nn2)COC1 ZINC001595386056 1017084477 /nfs/dbraw/zinc/08/44/77/1017084477.db2.gz WWFQDQGXHHNNIQ-GFCCVEGCSA-N -1 0 312.326 -0.730 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C1=O ZINC001595371360 1017084847 /nfs/dbraw/zinc/08/48/47/1017084847.db2.gz BGRZRZNVODGNGH-HBSDOPKDSA-N -1 0 313.310 -0.935 20 0 DBADRM CCCC(=O)NCC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001595527211 1017089393 /nfs/dbraw/zinc/08/93/93/1017089393.db2.gz FDPGMFLUTYUXLR-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM CC[C@H]1CN(CN2C[C@@H](C(=O)[O-])OC2=O)C[C@H](C)S1(=O)=O ZINC001595487063 1017086641 /nfs/dbraw/zinc/08/66/41/1017086641.db2.gz HJCYSKJKTAPXGO-GUBZILKMSA-N -1 0 320.367 -0.253 20 0 DBADRM CC[C@@H]1C(=O)NCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001595402274 1017087138 /nfs/dbraw/zinc/08/71/38/1017087138.db2.gz YCWZSESRNYYHBC-SNVBAGLBSA-N -1 0 307.306 -0.717 20 0 DBADRM CC[C@@H](C(=O)N1CC(O)(C(=O)[O-])C1)N1CCO[C@@H](CC)C1 ZINC001595484589 1017088037 /nfs/dbraw/zinc/08/80/37/1017088037.db2.gz UARZLJRGTDBMKW-QWRGUYRKSA-N -1 0 300.355 -0.466 20 0 DBADRM CC[C@@H]1C(=O)NCCN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595402483 1017088364 /nfs/dbraw/zinc/08/83/64/1017088364.db2.gz ZXOXLEIETYAIHX-SNVBAGLBSA-N -1 0 306.322 -0.071 20 0 DBADRM CCCC(=O)NCC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001595527212 1017088757 /nfs/dbraw/zinc/08/87/57/1017088757.db2.gz FDPGMFLUTYUXLR-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM CC[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C(=O)OC ZINC001595243066 1017080295 /nfs/dbraw/zinc/08/02/95/1017080295.db2.gz UFIUFQXRPMIDLF-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@@H]1CC1(C)C ZINC001449075345 1010205754 /nfs/dbraw/zinc/20/57/54/1010205754.db2.gz HDTCHJDBRCEDLD-QMMMGPOBSA-N -1 0 311.342 -0.690 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001449083477 1010208524 /nfs/dbraw/zinc/20/85/24/1010208524.db2.gz MMQJYWVZNGVMQT-BDAKNGLRSA-N -1 0 311.342 -0.690 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001479237009 1010212989 /nfs/dbraw/zinc/21/29/89/1010212989.db2.gz CZTWNZCSVZHYOZ-RKDXNWHRSA-N -1 0 310.358 -0.946 20 0 DBADRM CN(CCNC(=O)CN1CCCC1=O)c1ccnc(C(=O)[O-])n1 ZINC001598490153 1017284206 /nfs/dbraw/zinc/28/42/06/1017284206.db2.gz GVIKRXHRSZQQPM-UHFFFAOYSA-N -1 0 321.337 -0.650 20 0 DBADRM CN(CCNC(=O)CCc1nnc[nH]1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598490253 1017284846 /nfs/dbraw/zinc/28/48/46/1017284846.db2.gz IZBQFBYSODTZIR-DTWKUNHWSA-N -1 0 309.326 -0.967 20 0 DBADRM CN(CCNC(=O)Cn1cccn1)c1ccnc(C(=O)[O-])n1 ZINC001598490307 1017285804 /nfs/dbraw/zinc/28/58/04/1017285804.db2.gz AUDOJPRMUSCCDR-UHFFFAOYSA-N -1 0 304.310 -0.376 20 0 DBADRM CN(CCNC(=O)[C@H]1CC[C@H]1C(=O)[O-])CCS(C)(=O)=O ZINC001598492715 1017287380 /nfs/dbraw/zinc/28/73/80/1017287380.db2.gz RJKLLQVQHWWGMY-VHSXEESVSA-N -1 0 306.384 -0.810 20 0 DBADRM CN(CCNS(C)(=O)=O)Cc1noc(CCCC(=O)[O-])n1 ZINC001598495204 1017287542 /nfs/dbraw/zinc/28/75/42/1017287542.db2.gz BEWMDFIBDHTJQB-UHFFFAOYSA-N -1 0 320.371 -0.542 20 0 DBADRM CN(CCNC(=O)c1cnn(C)n1)c1ccnc(C(=O)[O-])n1 ZINC001598492838 1017287980 /nfs/dbraw/zinc/28/79/80/1017287980.db2.gz LUPFAKZRAHVKIR-UHFFFAOYSA-N -1 0 305.298 -0.831 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001598494452 1017288726 /nfs/dbraw/zinc/28/87/26/1017288726.db2.gz YHUQNRUVTRTNHA-JTQLQIEISA-N -1 0 321.399 -0.322 20 0 DBADRM CN(CCNC(=O)c1cnn2cc[nH]c12)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598493344 1017289137 /nfs/dbraw/zinc/28/91/37/1017289137.db2.gz XYDJYDDWLFQTBX-RKDXNWHRSA-N -1 0 319.321 -0.429 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)CCc1ocnc1C(=O)[O-] ZINC001598494455 1017289168 /nfs/dbraw/zinc/28/91/68/1017289168.db2.gz YTNFKVKODYXKAN-UHFFFAOYSA-N -1 0 319.339 -0.687 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC001479462662 1010291806 /nfs/dbraw/zinc/29/18/06/1010291806.db2.gz BVYJCAFPVMHDLH-PWSUYJOCSA-N -1 0 315.370 -0.327 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001479462804 1010292000 /nfs/dbraw/zinc/29/20/00/1010292000.db2.gz DOLGRNWYWYSQSC-NWDGAFQWSA-N -1 0 320.349 -0.426 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001598495626 1017290762 /nfs/dbraw/zinc/29/07/62/1017290762.db2.gz LDUVDDWFWBNACA-ZUZCIYMTSA-N -1 0 320.349 -0.106 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1ccnnc1 ZINC001598495970 1017291102 /nfs/dbraw/zinc/29/11/02/1017291102.db2.gz RSCJIXXZBCCEHS-UHFFFAOYSA-N -1 0 302.294 -0.429 20 0 DBADRM CN(CCO)C(=O)C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001598495374 1017291551 /nfs/dbraw/zinc/29/15/51/1017291551.db2.gz FVPGFBRLYHGEMY-INIZCTEOSA-N -1 0 320.345 -0.308 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001598499115 1017293122 /nfs/dbraw/zinc/29/31/22/1017293122.db2.gz JMQMCNJZQBGUIA-VHSXEESVSA-N -1 0 307.368 -0.098 20 0 DBADRM CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001598503652 1017293500 /nfs/dbraw/zinc/29/35/00/1017293500.db2.gz UQTJHFXVUMORRP-QMMMGPOBSA-N -1 0 314.269 -0.726 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C(=O)N1CCNC(=O)C1 ZINC001598510648 1017293583 /nfs/dbraw/zinc/29/35/83/1017293583.db2.gz SVDDEUWCZZNPAU-UHFFFAOYSA-N -1 0 319.317 -0.698 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001598500742 1017293780 /nfs/dbraw/zinc/29/37/80/1017293780.db2.gz VTFCNPHRVZCAMK-HYXAFXHYSA-N -1 0 302.308 -0.262 20 0 DBADRM CN(CCOCCNC(=O)c1ccn[nH]1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598498537 1017293841 /nfs/dbraw/zinc/29/38/41/1017293841.db2.gz ZMGCQIGHGADYOY-UWVGGRQHSA-N -1 0 324.337 -0.665 20 0 DBADRM CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001598504386 1017294025 /nfs/dbraw/zinc/29/40/25/1017294025.db2.gz IRIXFXACZIGQOV-WYUUTHIRSA-N -1 0 312.366 -0.025 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001598500579 1017294130 /nfs/dbraw/zinc/29/41/30/1017294130.db2.gz JRUSLXZEKIGJGS-DTWKUNHWSA-N -1 0 308.356 -0.997 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)Cn1c(=O)cccc1C(=O)[O-] ZINC001598534828 1017294908 /nfs/dbraw/zinc/29/49/08/1017294908.db2.gz ZLCCTCHHXATJDI-UHFFFAOYSA-N -1 0 304.306 -0.061 20 0 DBADRM CO[N-]C(=O)CNC(=O)/C(=C\c1ccccc1)n1nnnc1C ZINC001598520389 1017295063 /nfs/dbraw/zinc/29/50/63/1017295063.db2.gz BQLIATXXGKMKSI-XYOKQWHBSA-N -1 0 316.321 -0.227 20 0 DBADRM C[C@@H](C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001479767395 1010366389 /nfs/dbraw/zinc/36/63/89/1010366389.db2.gz OEKDPJYCIAIADQ-VIFPVBQESA-N -1 0 308.346 -0.699 20 0 DBADRM CN(CCCNC(=O)CCc1ccnn1C)Cc1n[nH]c(=O)[n-]1 ZINC001479773801 1010372144 /nfs/dbraw/zinc/37/21/44/1010372144.db2.gz JHTWBNDIIMRWIZ-UHFFFAOYSA-N -1 0 321.385 -0.185 20 0 DBADRM Cc1cocc1C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001449216717 1010382483 /nfs/dbraw/zinc/38/24/83/1010382483.db2.gz RCOBAKYGAJKVDV-JTQLQIEISA-N -1 0 323.353 -0.023 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001449245120 1010402311 /nfs/dbraw/zinc/40/23/11/1010402311.db2.gz CKTUBIYTUGNEDG-SDDRHHMPSA-N -1 0 323.397 -0.193 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001449245119 1010404779 /nfs/dbraw/zinc/40/47/79/1010404779.db2.gz CKTUBIYTUGNEDG-GRYCIOLGSA-N -1 0 323.397 -0.193 20 0 DBADRM COCCN(CCNC(=O)c1ccncn1)Cc1n[nH]c(=O)[n-]1 ZINC001449336120 1010441169 /nfs/dbraw/zinc/44/11/69/1010441169.db2.gz CSDSQVSLTNFRDS-UHFFFAOYSA-N -1 0 321.341 -0.821 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C[C@@H]1C[C@@H]1C ZINC001449462964 1010480920 /nfs/dbraw/zinc/48/09/20/1010480920.db2.gz OIDUAOWSNNLOPB-IUCAKERBSA-N -1 0 323.353 -0.093 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001449484563 1010489366 /nfs/dbraw/zinc/48/93/66/1010489366.db2.gz LJCOGKSNAJSPIV-IUCAKERBSA-N -1 0 311.342 -0.690 20 0 DBADRM CC[C@@H]1COCCN1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001595500907 1017089732 /nfs/dbraw/zinc/08/97/32/1017089732.db2.gz VJWFSBQMOOIJKH-LPEHRKFASA-N -1 0 301.343 -0.215 20 0 DBADRM CCC[C@@H](C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])S(N)(=O)=O ZINC001595535315 1017089787 /nfs/dbraw/zinc/08/97/87/1017089787.db2.gz AEHZLMZKKLUCQN-WDSKDSINSA-N -1 0 320.289 -0.035 20 0 DBADRM C[C@@H](NC(=O)C1(C)CC1)[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001449664861 1010539794 /nfs/dbraw/zinc/53/97/94/1010539794.db2.gz HJGNAUOVVXFBEF-DTWKUNHWSA-N -1 0 322.365 -0.091 20 0 DBADRM CCC[C@@H](C(=O)N[C@@H](CC(F)F)C(=O)[O-])S(N)(=O)=O ZINC001595535982 1017091830 /nfs/dbraw/zinc/09/18/30/1017091830.db2.gz KNJORPICKPMBOK-WDSKDSINSA-N -1 0 302.299 -0.332 20 0 DBADRM CCC[C@@H](CCO)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001595592167 1017092118 /nfs/dbraw/zinc/09/21/18/1017092118.db2.gz UYLWUQIDJZIARE-WDEREUQCSA-N -1 0 300.355 -0.023 20 0 DBADRM CCC[C@@H](C)N1C[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1=O ZINC001595579953 1017092334 /nfs/dbraw/zinc/09/23/34/1017092334.db2.gz YRBXEKHLWARXFW-BFLSOPEQSA-N -1 0 300.355 -0.026 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001595537512 1017093071 /nfs/dbraw/zinc/09/30/71/1017093071.db2.gz LRDDDNAXDFGXDD-BBBLOLIVSA-N -1 0 323.367 -0.432 20 0 DBADRM CCCC[C@@H](C(=O)[O-])S(=O)(=O)CCCS(N)(=O)=O ZINC001595629684 1017093812 /nfs/dbraw/zinc/09/38/12/1017093812.db2.gz LZUAFNFOYMFVCR-QMMMGPOBSA-N -1 0 301.386 -0.277 20 0 DBADRM CCCC[C@@H](C(=O)[O-])N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001595627568 1017094110 /nfs/dbraw/zinc/09/41/10/1017094110.db2.gz KCHBTWWSLIPIOD-MNOVXSKESA-N -1 0 320.411 -0.135 20 0 DBADRM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001595619723 1017095099 /nfs/dbraw/zinc/09/50/99/1017095099.db2.gz MRYGOPWDUMROIE-MRVPVSSYSA-N -1 0 316.339 -0.603 20 0 DBADRM CCCC1(C(=O)NCC2(O)CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001595616005 1017095480 /nfs/dbraw/zinc/09/54/80/1017095480.db2.gz XGKGUYFVUXCCEK-QWRGUYRKSA-N -1 0 324.377 -0.023 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)Cn2cncn2)c1[O-] ZINC001449871475 1010585435 /nfs/dbraw/zinc/58/54/35/1010585435.db2.gz NTKNOJMKXCKUPH-QMMMGPOBSA-N -1 0 321.341 -0.708 20 0 DBADRM O=C(Cc1cc[nH]n1)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001480249659 1010589369 /nfs/dbraw/zinc/58/93/69/1010589369.db2.gz YDQMXQDKRQUYBQ-JTQLQIEISA-N -1 0 319.369 -0.196 20 0 DBADRM O=C(Cc1cc[nH]n1)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001480249660 1010590713 /nfs/dbraw/zinc/59/07/13/1010590713.db2.gz YDQMXQDKRQUYBQ-SNVBAGLBSA-N -1 0 319.369 -0.196 20 0 DBADRM CCCCN(CC)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001595742983 1017098251 /nfs/dbraw/zinc/09/82/51/1017098251.db2.gz SZBIJWNGOLSCJO-GHMZBOCLSA-N -1 0 300.355 -0.071 20 0 DBADRM CCCCNC(=O)[C@H]1CSCN1C(=O)COCC(=O)[O-] ZINC001595754397 1017098542 /nfs/dbraw/zinc/09/85/42/1017098542.db2.gz OVJJIOGCKUUMSA-SECBINFHSA-N -1 0 304.368 -0.095 20 0 DBADRM CCCCNC(=O)CN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001595754875 1017099056 /nfs/dbraw/zinc/09/90/56/1017099056.db2.gz VOCJKVXKCAJMFG-HNNXBMFYSA-N -1 0 313.398 -0.236 20 0 DBADRM CCCCNC(=O)NC(=O)CS(=O)(=O)[C@@H](C)CC(=O)[O-] ZINC001595758825 1017099082 /nfs/dbraw/zinc/09/90/82/1017099082.db2.gz GCSRMKWMPJRHQE-QMMMGPOBSA-N -1 0 308.356 -0.110 20 0 DBADRM CCCCOCCNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001595770370 1017099291 /nfs/dbraw/zinc/09/92/91/1017099291.db2.gz SIFIUPDRPZIFEV-MNOVXSKESA-N -1 0 316.354 -0.380 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001595720494 1017099305 /nfs/dbraw/zinc/09/93/05/1017099305.db2.gz DTGPHQLCWOSBJW-GFCCVEGCSA-N -1 0 307.368 -0.361 20 0 DBADRM CN(c1ncc(C(=O)[O-])cn1)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001598547787 1017298044 /nfs/dbraw/zinc/29/80/44/1017298044.db2.gz ZVEZGUYJEDTGFS-VIFPVBQESA-N -1 0 317.309 -0.356 20 0 DBADRM CN(c1ncc(C(=O)[O-])cn1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001598546436 1017298124 /nfs/dbraw/zinc/29/81/24/1017298124.db2.gz CHVJOWVFLBCMSW-SECBINFHSA-N -1 0 307.310 -0.913 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])C1=O ZINC001598546086 1017298218 /nfs/dbraw/zinc/29/82/18/1017298218.db2.gz ZYJFMDBSXCIBGG-ZETCQYMHSA-N -1 0 313.310 -0.587 20 0 DBADRM CN1C(=O)CN(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001598551028 1017298552 /nfs/dbraw/zinc/29/85/52/1017298552.db2.gz KMWSDMUBNAMYFD-SECBINFHSA-N -1 0 322.325 -0.535 20 0 DBADRM CN1C(=O)CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)C1=O ZINC001598549669 1017299094 /nfs/dbraw/zinc/29/90/94/1017299094.db2.gz SIOJTVPIXZRDOU-SSDOTTSWSA-N -1 0 316.291 -0.597 20 0 DBADRM CC(=O)N[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccccc1 ZINC001449991510 1010612897 /nfs/dbraw/zinc/61/28/97/1010612897.db2.gz XYMCYJDQEYZGEP-SNVBAGLBSA-N -1 0 317.305 -0.110 20 0 DBADRM CN1C(=O)CO[C@@H](C(=O)N2CC[C@H]2C(=O)[O-])[C@@H]1c1cccnc1 ZINC001598553868 1017300676 /nfs/dbraw/zinc/30/06/76/1017300676.db2.gz YYICPSAMVFTZIE-WCFLWFBJSA-N -1 0 319.317 -0.335 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)Nc3ccc(C(=O)[O-])nc3)C[C@H]2C1=O ZINC001598556223 1017300740 /nfs/dbraw/zinc/30/07/40/1017300740.db2.gz FHZVYVMXCOVJRJ-DTORHVGOSA-N -1 0 318.289 -0.142 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)c3ccnc(C(=O)[O-])c3)C[C@H]2C1=O ZINC001598556474 1017300865 /nfs/dbraw/zinc/30/08/65/1017300865.db2.gz HWFRNQISMQUZKR-DTORHVGOSA-N -1 0 303.274 -0.533 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)CCSCC(=O)[O-])C[C@H]2C1=O ZINC001598556055 1017301129 /nfs/dbraw/zinc/30/11/29/1017301129.db2.gz AKWQXDVOCCZANJ-OCAPTIKFSA-N -1 0 300.336 -0.733 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)c3ccoc3CC(=O)[O-])C[C@H]2C1=O ZINC001598556465 1017301167 /nfs/dbraw/zinc/30/11/67/1017301167.db2.gz HLOLIBBBGBNYAD-DTORHVGOSA-N -1 0 306.274 -0.407 20 0 DBADRM CN1C(=O)c2ccc(C(=O)N[C@](C)(CO)C(=O)[O-])cc2C1=O ZINC001598556761 1017301387 /nfs/dbraw/zinc/30/13/87/1017301387.db2.gz MKYUTZPSHWONKR-CQSZACIVSA-N -1 0 306.274 -0.522 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)Nc3ccc(C(=O)[O-])cn3)C[C@H]2C1=O ZINC001598556103 1017301440 /nfs/dbraw/zinc/30/14/40/1017301440.db2.gz CCJAMMRNJWGQHB-DTORHVGOSA-N -1 0 318.289 -0.142 20 0 DBADRM CN1C(=O)CN(CC(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)C1=O ZINC001598551586 1017301649 /nfs/dbraw/zinc/30/16/49/1017301649.db2.gz UNXRRPVCIBLEDY-UHFFFAOYSA-N -1 0 308.250 -0.682 20 0 DBADRM CN1C[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])NCC1=O ZINC001598560498 1017302679 /nfs/dbraw/zinc/30/26/79/1017302679.db2.gz RDVHYLMXGDQOOW-RYUDHWBXSA-N -1 0 323.324 -0.632 20 0 DBADRM CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NCC(=O)[O-])C1=O ZINC001598560351 1017302904 /nfs/dbraw/zinc/30/29/04/1017302904.db2.gz LMKAPPNJDLDQQU-UHFFFAOYSA-N -1 0 320.305 -0.324 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)Cc2ccc3c[nH]nc3c2)CC1=O ZINC001598561662 1017303100 /nfs/dbraw/zinc/30/31/00/1017303100.db2.gz CQXDDCANGQULJG-GFCCVEGCSA-N -1 0 316.317 -0.141 20 0 DBADRM CN1C[C@@H](C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c2ccccc2C1=O ZINC001598558792 1017303138 /nfs/dbraw/zinc/30/31/38/1017303138.db2.gz FHVRBMDCQPLYNJ-OASPWFOLSA-N -1 0 318.329 -0.098 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)C2=C[S@@](=O)CCC2)CC1=O ZINC001598561209 1017303306 /nfs/dbraw/zinc/30/33/06/1017303306.db2.gz AWHWSUFOFMWQMD-YBYGRFCBSA-N -1 0 300.336 -0.833 20 0 DBADRM CN1C[C@H](C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])CC1=O ZINC001598559397 1017303422 /nfs/dbraw/zinc/30/34/22/1017303422.db2.gz JAMRSZAEOTZOLM-NWDGAFQWSA-N -1 0 305.334 -0.081 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@H](C(=O)[O-])c2ccccn2)C1=O ZINC001598558828 1017303518 /nfs/dbraw/zinc/30/35/18/1017303518.db2.gz KAZSLVQSZJCASF-NSHDSACASA-N -1 0 306.278 -0.783 20 0 DBADRM CN1C[C@H](C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1=O ZINC001598559717 1017303559 /nfs/dbraw/zinc/30/35/59/1017303559.db2.gz KKEBDFPFNXLFBL-BDAKNGLRSA-N -1 0 307.310 -0.772 20 0 DBADRM CN1C[C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])NC1=O ZINC001598558758 1017303642 /nfs/dbraw/zinc/30/36/42/1017303642.db2.gz DSYOJWUWOUAKCY-WDEREUQCSA-N -1 0 309.297 -0.039 20 0 DBADRM CN1CC(=O)N(CC(=O)OCC(=O)C(C)(C)C(=O)[O-])C1=O ZINC001598559448 1017303680 /nfs/dbraw/zinc/30/36/80/1017303680.db2.gz XBTCDYAGLTWGLR-UHFFFAOYSA-N -1 0 300.267 -0.897 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)C(=O)Nc2ccccc2F)CC1=O ZINC001598561619 1017304009 /nfs/dbraw/zinc/30/40/09/1017304009.db2.gz FMHDIEAACJAZFE-JTQLQIEISA-N -1 0 323.280 -0.482 20 0 DBADRM CCn1ncnc1CN[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001480448571 1010644263 /nfs/dbraw/zinc/64/42/63/1010644263.db2.gz QHVBDHUFCAUEJM-QMMMGPOBSA-N -1 0 307.358 -0.057 20 0 DBADRM COCC[C@H]1COCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001450159011 1010650517 /nfs/dbraw/zinc/65/05/17/1010650517.db2.gz CPDGYXVEUKKQBG-JTQLQIEISA-N -1 0 314.342 -0.267 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1=O ZINC001598564432 1017308420 /nfs/dbraw/zinc/30/84/20/1017308420.db2.gz YKOPAHRMKODJAP-KCJUWKMLSA-N -1 0 306.322 -0.417 20 0 DBADRM CN1C[C@H](CCN2C(=O)[C@H]3CC[C@H](C(=O)[O-])CN3C2=O)CC1=O ZINC001598565398 1017308518 /nfs/dbraw/zinc/30/85/18/1017308518.db2.gz DXXFCIGWRAAJPP-OUAUKWLOSA-N -1 0 323.349 -0.018 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ncn(C(C)(C)C)n2)CC1=O ZINC001598564130 1017308796 /nfs/dbraw/zinc/30/87/96/1017308796.db2.gz QLJOTMAVTJDQQK-QMMMGPOBSA-N -1 0 309.326 -0.600 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])CC1=O ZINC001598567520 1017309273 /nfs/dbraw/zinc/30/92/73/1017309273.db2.gz HOLULSOWOQTAOP-QMMMGPOBSA-N -1 0 323.280 -0.191 20 0 DBADRM NC(=O)CCCC(=O)NC1CN(C(=O)c2ncccc2O)C1 ZINC001450397335 1010720479 /nfs/dbraw/zinc/72/04/79/1010720479.db2.gz WXHGQLOYSNQHEJ-UHFFFAOYSA-N -1 0 306.322 -0.617 20 0 DBADRM CC1(CCC(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001450447852 1010730155 /nfs/dbraw/zinc/73/01/55/1010730155.db2.gz PETMFWKXZFDWHO-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM CC(C)[C@@H](C)C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001450543224 1010754517 /nfs/dbraw/zinc/75/45/17/1010754517.db2.gz UPIHOLYZYCQBGE-SECBINFHSA-N -1 0 322.365 -0.281 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC001450549521 1010755221 /nfs/dbraw/zinc/75/52/21/1010755221.db2.gz IVLNRKVVVWMCSR-IAQYHMDHSA-N -1 0 318.333 -0.028 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C(=O)O1 ZINC001450605496 1010770771 /nfs/dbraw/zinc/77/07/71/1010770771.db2.gz YHKOOINUNMAZBQ-XVKPBYJWSA-N -1 0 318.289 -0.300 20 0 DBADRM Cc1cc(=O)c(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)cn1C ZINC001480876852 1010787288 /nfs/dbraw/zinc/78/72/88/1010787288.db2.gz UYANKOMFAIAEQN-UHFFFAOYSA-N -1 0 320.353 -0.621 20 0 DBADRM CN(CCNC(=O)[C@@H]1Cc2cccnc2C1)Cc1n[nH]c(=O)[n-]1 ZINC001480940724 1010810873 /nfs/dbraw/zinc/81/08/73/1010810873.db2.gz RSULZNBDCUXSPC-LLVKDONJSA-N -1 0 316.365 -0.132 20 0 DBADRM CCN(CCNC(=O)c1cn2c(n1)CCC2)Cc1n[nH]c(=O)[n-]1 ZINC001480976265 1010819668 /nfs/dbraw/zinc/81/96/68/1010819668.db2.gz ZVTJXXBZIGCVGL-UHFFFAOYSA-N -1 0 319.369 -0.095 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001481025024 1010828788 /nfs/dbraw/zinc/82/87/88/1010828788.db2.gz VVTVJQHLIYHDAK-WCBMZHEXSA-N -1 0 310.358 -0.885 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H](C)C1CC1 ZINC001451043582 1010841448 /nfs/dbraw/zinc/84/14/48/1010841448.db2.gz SGHPLPLWLGWEOT-APPZFPTMSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC12CC2 ZINC001451150905 1010859056 /nfs/dbraw/zinc/85/90/56/1010859056.db2.gz HQWYLINXHBNOKF-JGVFFNPUSA-N -1 0 321.337 -0.340 20 0 DBADRM CCC(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCCC1 ZINC001451205148 1010866933 /nfs/dbraw/zinc/86/69/33/1010866933.db2.gz RTWAGQFZRUITNN-UHFFFAOYSA-N -1 0 309.326 -0.148 20 0 DBADRM CC[C@H](C)C(=O)NC[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001451499135 1010971326 /nfs/dbraw/zinc/97/13/26/1010971326.db2.gz NQVQQKAJEPEBLH-SFYZADRCSA-N -1 0 311.342 -0.189 20 0 DBADRM CCN(C(=O)[C@@H](C)CC(N)=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481772209 1010995347 /nfs/dbraw/zinc/99/53/47/1010995347.db2.gz UKAAIIGWOQKDMO-UWVGGRQHSA-N -1 0 324.385 -0.555 20 0 DBADRM CCN(C(=O)[C@H](C)CC(N)=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481772208 1010996076 /nfs/dbraw/zinc/99/60/76/1010996076.db2.gz UKAAIIGWOQKDMO-NXEZZACHSA-N -1 0 324.385 -0.555 20 0 DBADRM CC(=O)N[C@H]1C[C@H](C)N(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001451661756 1011021905 /nfs/dbraw/zinc/02/19/05/1011021905.db2.gz BQLVMOYRTRJGBE-WPRPVWTQSA-N -1 0 311.342 -0.405 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNC(=O)c2ccc[nH]2)c1[O-] ZINC001451846582 1011057180 /nfs/dbraw/zinc/05/71/80/1011057180.db2.gz YFCZYJLCJJEDMF-SECBINFHSA-N -1 0 321.337 -0.385 20 0 DBADRM CN1CC[C@@H](CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1=O ZINC001451980820 1011092050 /nfs/dbraw/zinc/09/20/50/1011092050.db2.gz NUIUZGUBOIVVJG-SECBINFHSA-N -1 0 311.342 -0.546 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001452154808 1011117600 /nfs/dbraw/zinc/11/76/00/1011117600.db2.gz XQHDLUFOMMWSRD-RNFRBKRXSA-N -1 0 320.371 -0.496 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)C2CCCC2)c1[O-] ZINC001452218518 1011125477 /nfs/dbraw/zinc/12/54/77/1011125477.db2.gz KYIVLDWCRCFTLX-JTQLQIEISA-N -1 0 310.354 -0.179 20 0 DBADRM CN(CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)Cc1cncn1C ZINC001482644985 1011243058 /nfs/dbraw/zinc/24/30/58/1011243058.db2.gz CJFLISNKKRYDTC-UHFFFAOYSA-N -1 0 323.357 -0.987 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1C[C@@]12CCOC2)Cc1n[nH]c(=O)[n-]1 ZINC001482641847 1011245627 /nfs/dbraw/zinc/24/56/27/1011245627.db2.gz YNJDNKGXYVUPIF-QMTHXVAHSA-N -1 0 309.370 -0.173 20 0 DBADRM CN1C[C@H](NC(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)CC1=O ZINC001598567517 1017311181 /nfs/dbraw/zinc/31/11/81/1017311181.db2.gz HFEWKZUNLDQWLI-RKDXNWHRSA-N -1 0 321.337 -0.054 20 0 DBADRM CN1C[C@H](OC(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC001598571959 1017312615 /nfs/dbraw/zinc/31/26/15/1017312615.db2.gz GTZIXVXLHCUFRE-AXFHLTTASA-N -1 0 319.379 -0.098 20 0 DBADRM CN1C[C@H](OC(=O)CS(=O)(=O)C2CC2)C[C@@]1(C)C(=O)[O-] ZINC001598572037 1017313007 /nfs/dbraw/zinc/31/30/07/1017313007.db2.gz GZQNQSLJLWIMEN-PELKAZGASA-N -1 0 305.352 -0.346 20 0 DBADRM C[N@@H+]1C[C@@H]2CC[C@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])no3)[C@H]2C1 ZINC001598575923 1017313447 /nfs/dbraw/zinc/31/34/47/1017313447.db2.gz SDPKKCKIQQBXTQ-CIUDSAMLSA-N -1 0 315.351 -0.009 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CC[C@@H]1C[C@H](C(=O)OC)CO1 ZINC001452825108 1011421528 /nfs/dbraw/zinc/42/15/28/1011421528.db2.gz JKFCSYFDRNACEQ-VHSXEESVSA-N -1 0 302.327 -0.471 20 0 DBADRM CN1CC[C@H](C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])CC1=O ZINC001598581414 1017317063 /nfs/dbraw/zinc/31/70/63/1017317063.db2.gz TWZZTMSUISLKLP-IINYFYTJSA-N -1 0 308.338 -0.289 20 0 DBADRM CN1CCC(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CC1 ZINC001598581472 1017317315 /nfs/dbraw/zinc/31/73/15/1017317315.db2.gz UQVBSNURXAPZJV-LLVKDONJSA-N -1 0 318.395 -0.572 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])S1(=O)=O ZINC001598580028 1017318498 /nfs/dbraw/zinc/31/84/98/1017318498.db2.gz YSHZGZPECNQWNM-UTLUCORTSA-N -1 0 304.368 -0.220 20 0 DBADRM CN1CC[C@@H](C(=O)NCCCNc2ncc(C(=O)[O-])cn2)C1=O ZINC001598579709 1017318518 /nfs/dbraw/zinc/31/85/18/1017318518.db2.gz SVEMRWYASIBXLQ-JTQLQIEISA-N -1 0 321.337 -0.429 20 0 DBADRM CN1CC[C@H](COC(=O)Cn2cccc(C(=O)[O-])c2=O)C1=O ZINC001598584400 1017319652 /nfs/dbraw/zinc/31/96/52/1017319652.db2.gz YEJJYBLZYVATIC-SECBINFHSA-N -1 0 308.290 -0.432 20 0 DBADRM CN1CC[C@@H](CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1=O ZINC001598584012 1017320375 /nfs/dbraw/zinc/32/03/75/1017320375.db2.gz MMFSZUWTQCGAOC-SSDOTTSWSA-N -1 0 316.339 -0.745 20 0 DBADRM CN(CC(=O)Nc1cccc(C(=O)[O-])n1)[C@@H]1CCN(C)C1=O ZINC001598583939 1017320603 /nfs/dbraw/zinc/32/06/03/1017320603.db2.gz PAYOTSAUHBLWTF-SNVBAGLBSA-N -1 0 306.322 -0.119 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1C[C@@H](NC(=O)C2CCC2)C1 ZINC001452960776 1011478733 /nfs/dbraw/zinc/47/87/33/1011478733.db2.gz KZNBSKONOBUENU-WAAGHKOSSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001452961612 1011479548 /nfs/dbraw/zinc/47/95/48/1011479548.db2.gz QCDZOEBPZGXQGJ-IMSYWVGJSA-N -1 0 323.353 -0.644 20 0 DBADRM CCC(=O)NCC1(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001453280881 1011594880 /nfs/dbraw/zinc/59/48/80/1011594880.db2.gz QIGSJBCJFGMUAG-UHFFFAOYSA-N -1 0 311.342 -0.356 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](CO)Cc1ccccc1 ZINC001453300515 1011603583 /nfs/dbraw/zinc/60/35/83/1011603583.db2.gz DWLBZFHWARMIJL-NSHDSACASA-N -1 0 306.322 -0.249 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)c1n[nH]c2c1CCC2 ZINC001483029668 1011625994 /nfs/dbraw/zinc/62/59/94/1011625994.db2.gz YUILETMBKSRMSU-UPHRSURJSA-N -1 0 317.353 -0.202 20 0 DBADRM C[C@@H]1CN(C(=O)CCCc2nnn[n-]2)CCN1S(C)(=O)=O ZINC001453434384 1011672003 /nfs/dbraw/zinc/67/20/03/1011672003.db2.gz CIHVUGSRXNJKIB-SECBINFHSA-N -1 0 316.387 -0.985 20 0 DBADRM COCC(=O)N[C@@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001453586692 1011742772 /nfs/dbraw/zinc/74/27/72/1011742772.db2.gz KLIKKCGMIIUSHT-MRVPVSSYSA-N -1 0 320.305 -0.095 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2nnc3ccccc3n2)C(=O)N1C ZINC001453747433 1011809772 /nfs/dbraw/zinc/80/97/72/1011809772.db2.gz HFSILICSYLMNJR-ZETCQYMHSA-N -1 0 300.278 -0.048 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001453750913 1011809836 /nfs/dbraw/zinc/80/98/36/1011809836.db2.gz VVLISXIZXTVWOB-RMLUDKJBSA-N -1 0 320.305 -0.606 20 0 DBADRM CCn1ncc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001483333483 1011844143 /nfs/dbraw/zinc/84/41/43/1011844143.db2.gz MZRFJLHFHZVHJQ-MRVPVSSYSA-N -1 0 308.346 -0.628 20 0 DBADRM COc1nn(C)cc1C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001483371401 1011858387 /nfs/dbraw/zinc/85/83/87/1011858387.db2.gz WYYBWYGGACRXHU-QMMMGPOBSA-N -1 0 323.357 -0.497 20 0 DBADRM COC[C@H](OC)C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001483385940 1011862833 /nfs/dbraw/zinc/86/28/33/1011862833.db2.gz ZLPMHVSIPSODMQ-BDAKNGLRSA-N -1 0 301.347 -0.892 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001483396323 1011865916 /nfs/dbraw/zinc/86/59/16/1011865916.db2.gz MJXZKMLSLMVBBW-MRVPVSSYSA-N -1 0 312.374 -0.639 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)C[C@H]1C(N)=O ZINC001454164038 1011880224 /nfs/dbraw/zinc/88/02/24/1011880224.db2.gz MIXJHYNACNEXQC-HTQZYQBOSA-N -1 0 311.725 -0.296 20 0 DBADRM CC(=O)N[C@H](CNC(=O)c1c[n-]n2c1nccc2=O)C1CC1 ZINC001454178542 1011883167 /nfs/dbraw/zinc/88/31/67/1011883167.db2.gz VSDAMBVSPRSIMK-LLVKDONJSA-N -1 0 303.322 -0.333 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001454178965 1011883171 /nfs/dbraw/zinc/88/31/71/1011883171.db2.gz KGLUUAAGRAFPNN-SZEHBUNVSA-N -1 0 323.353 -0.644 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001454192349 1011885593 /nfs/dbraw/zinc/88/55/93/1011885593.db2.gz YLXYEGCOXFXVSO-UHFFFAOYSA-N -1 0 306.278 -0.620 20 0 DBADRM O=C(CCC1CC1)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001454378989 1011956892 /nfs/dbraw/zinc/95/68/92/1011956892.db2.gz GKXCKEFNTKUGLI-DTORHVGOSA-N -1 0 321.337 -0.150 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@H](O)c1cccnc1 ZINC001454379366 1011959615 /nfs/dbraw/zinc/95/96/15/1011959615.db2.gz IMPFELSJQYKJEI-JTQLQIEISA-N -1 0 307.310 -0.286 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N(OC)[C@H](C)CC(=O)[O-] ZINC001595787206 1017100399 /nfs/dbraw/zinc/10/03/99/1017100399.db2.gz GWDRNKUWDKNFGO-SECBINFHSA-N -1 0 310.372 -0.041 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001595786966 1017100911 /nfs/dbraw/zinc/10/09/11/1017100911.db2.gz FANSAYIYSAMIIY-UHFFFAOYSA-N -1 0 322.383 -0.952 20 0 DBADRM CCCN(C)CC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001595835409 1017100929 /nfs/dbraw/zinc/10/09/29/1017100929.db2.gz NLGMRNJUIMXHDJ-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001595787205 1017101126 /nfs/dbraw/zinc/10/11/26/1017101126.db2.gz GUWMVSAZFLIHEP-LBPRGKRZSA-N -1 0 322.383 -0.687 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001595783965 1017101262 /nfs/dbraw/zinc/10/12/62/1017101262.db2.gz XJHUHCQTKCOCFN-GFCCVEGCSA-N -1 0 307.368 -0.049 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1ncnn1C ZINC001595883355 1017103045 /nfs/dbraw/zinc/10/30/45/1017103045.db2.gz WZYOHRXIVFHFSZ-MNOVXSKESA-N -1 0 309.370 -0.136 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)CNC(C)=O ZINC001595880145 1017103153 /nfs/dbraw/zinc/10/31/53/1017103153.db2.gz SWSMMQCVSDFCMD-MNOVXSKESA-N -1 0 313.354 -0.802 20 0 DBADRM CCCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)Cn1nccn1 ZINC001595879134 1017103317 /nfs/dbraw/zinc/10/33/17/1017103317.db2.gz KNNTYNLVDIDWBH-QWRGUYRKSA-N -1 0 323.353 -0.646 20 0 DBADRM CCCN(CCC)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001595872394 1017103454 /nfs/dbraw/zinc/10/34/54/1017103454.db2.gz AZJQXQLVQAUXQX-MNOVXSKESA-N -1 0 300.355 -0.071 20 0 DBADRM CCCN(CCNC(=O)CC(N)=O)c1ccnc(C(=O)[O-])n1 ZINC001595882659 1017103770 /nfs/dbraw/zinc/10/37/70/1017103770.db2.gz KTGYVTIITKFSAX-UHFFFAOYSA-N -1 0 309.326 -0.617 20 0 DBADRM CCCN1C[C@H](C(=O)NCCC(=O)NCCC(=O)[O-])CC1=O ZINC001595895122 1017104023 /nfs/dbraw/zinc/10/40/23/1017104023.db2.gz BFNHMADWEVOJPX-SNVBAGLBSA-N -1 0 313.354 -0.658 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1ncnn1C ZINC001595883354 1017104441 /nfs/dbraw/zinc/10/44/41/1017104441.db2.gz WZYOHRXIVFHFSZ-GHMZBOCLSA-N -1 0 309.370 -0.136 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)c1cn(Cc2noc(C)n2)nn1 ZINC001595854369 1017104606 /nfs/dbraw/zinc/10/46/06/1017104606.db2.gz NBEPSYODEAEHOQ-UHFFFAOYSA-N -1 0 308.298 -0.045 20 0 DBADRM CCCN(CC(=O)NC)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001595843293 1017104644 /nfs/dbraw/zinc/10/46/44/1017104644.db2.gz LPYGTSYDQBSUGL-SNVBAGLBSA-N -1 0 313.354 -0.706 20 0 DBADRM CCCN(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001595882641 1017104938 /nfs/dbraw/zinc/10/49/38/1017104938.db2.gz KFRYBNDSYHSCJR-OBPIAQAESA-N -1 0 324.377 -0.046 20 0 DBADRM CCCN1C[C@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])CC1=O ZINC001595896197 1017106490 /nfs/dbraw/zinc/10/64/90/1017106490.db2.gz KHTWZFOTZWERJV-MWLCHTKSSA-N -1 0 308.338 -0.220 20 0 DBADRM CCCN1C[C@@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])CC1=O ZINC001595896193 1017106595 /nfs/dbraw/zinc/10/65/95/1017106595.db2.gz KHTWZFOTZWERJV-GXSJLCMTSA-N -1 0 308.338 -0.220 20 0 DBADRM CCCN1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)C(C)(C)C1=O ZINC001595911985 1017107380 /nfs/dbraw/zinc/10/73/80/1017107380.db2.gz DHKMNEFGHOZMGW-UHFFFAOYSA-N -1 0 323.353 -0.164 20 0 DBADRM O=C(Cn1cc(C2CC2)nn1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454552333 1012033466 /nfs/dbraw/zinc/03/34/66/1012033466.db2.gz FGJMSLUMXLMVOB-JTQLQIEISA-N -1 0 304.314 -0.731 20 0 DBADRM O=Cc1ccc(OCC(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1 ZINC001454553392 1012033800 /nfs/dbraw/zinc/03/38/00/1012033800.db2.gz LSVSDKKIABDZAT-LBPRGKRZSA-N -1 0 317.305 -0.009 20 0 DBADRM COC(=O)c1cccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)n1 ZINC001454554599 1012038255 /nfs/dbraw/zinc/03/82/55/1012038255.db2.gz HCHURBDPLDKFCM-JTQLQIEISA-N -1 0 318.293 -0.405 20 0 DBADRM CCn1cc(C(=O)C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cn1 ZINC001454556456 1012038440 /nfs/dbraw/zinc/03/84/40/1012038440.db2.gz VNNWIDZJYACQDI-SECBINFHSA-N -1 0 305.298 -0.801 20 0 DBADRM Cn1c2cc(CNC(=O)Cn3c(=O)[n-][nH]c3=O)ccc2oc1=O ZINC001454598515 1012057082 /nfs/dbraw/zinc/05/70/82/1012057082.db2.gz PGXBPBDTJFPTCI-UHFFFAOYSA-N -1 0 319.277 -0.549 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC1(F)F ZINC001454692319 1012098705 /nfs/dbraw/zinc/09/87/05/1012098705.db2.gz CFOWLEWRWMFXJQ-UHNVWZDZSA-N -1 0 317.252 -0.828 20 0 DBADRM CS[C@H](C)C(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001454697860 1012103028 /nfs/dbraw/zinc/10/30/28/1012103028.db2.gz LPVUQKOVAIYHPE-RNFRBKRXSA-N -1 0 317.371 -0.938 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CCNC(=O)Cn2cncn2)c1[O-] ZINC001455111198 1012222377 /nfs/dbraw/zinc/22/23/77/1012222377.db2.gz ANLVXDVKZFAERA-MRVPVSSYSA-N -1 0 321.341 -0.660 20 0 DBADRM O=C(c1ccc(-n2cncn2)nc1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001455128779 1012226521 /nfs/dbraw/zinc/22/65/21/1012226521.db2.gz CDONFFGWEVTVEB-JTQLQIEISA-N -1 0 311.309 -0.195 20 0 DBADRM CN(CCNC(=O)c1c[n-]n2c1nccc2=O)C(=O)C1CC1 ZINC001455241960 1012300600 /nfs/dbraw/zinc/30/06/00/1012300600.db2.gz MKXMNWGVLIFITA-UHFFFAOYSA-N -1 0 303.322 -0.379 20 0 DBADRM C[C@@]1(CNC(=O)CC(N)=O)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484155242 1012331231 /nfs/dbraw/zinc/33/12/31/1012331231.db2.gz SUEPQLFXDWNMRW-ZDUSSCGKSA-N -1 0 310.358 -0.896 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CC1CS(=O)(=O)C1 ZINC001455325280 1012339200 /nfs/dbraw/zinc/33/92/00/1012339200.db2.gz WYGDTVKSYSRVML-UHFFFAOYSA-N -1 0 301.372 -0.381 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@]12C[C@H]1CCC2 ZINC001455369988 1012363877 /nfs/dbraw/zinc/36/38/77/1012363877.db2.gz MDHWABKKVXXNEV-XLKFXECMSA-N -1 0 321.337 -0.339 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC2(CCNC2=O)CC1 ZINC001455446134 1012405070 /nfs/dbraw/zinc/40/50/70/1012405070.db2.gz XAGVLKSHNMSXGP-UHFFFAOYSA-N -1 0 323.353 -0.402 20 0 DBADRM CN(CCNC(=O)[C@@H]1CC12CC2)C(=O)c1cnc([O-])n(C)c1=O ZINC001455485644 1012414174 /nfs/dbraw/zinc/41/41/74/1012414174.db2.gz KRUUMJJQJWHKPZ-JTQLQIEISA-N -1 0 320.349 -0.526 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@H](COC)c2nnn[n-]2)n1 ZINC001455726837 1012494625 /nfs/dbraw/zinc/49/46/25/1012494625.db2.gz DUYDMPQLQGQPPA-SECBINFHSA-N -1 0 305.298 -0.928 20 0 DBADRM COC[C@@H](NC(=O)Cc1cnn2ccccc12)c1nnn[n-]1 ZINC001455731023 1012496196 /nfs/dbraw/zinc/49/61/96/1012496196.db2.gz UJVCGQQLDHYCIH-SNVBAGLBSA-N -1 0 301.310 -0.106 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N[C@@H](COC)c1nnn[n-]1 ZINC001455733030 1012496632 /nfs/dbraw/zinc/49/66/32/1012496632.db2.gz BTFFUWBDCNYUEP-VIFPVBQESA-N -1 0 319.387 -0.392 20 0 DBADRM COC[C@H](NC(=O)Cc1cnn2ccccc12)c1nnn[n-]1 ZINC001455731020 1012496845 /nfs/dbraw/zinc/49/68/45/1012496845.db2.gz UJVCGQQLDHYCIH-JTQLQIEISA-N -1 0 301.310 -0.106 20 0 DBADRM COC[C@H](NC(=O)c1cncc2ncn(C)c21)c1nnn[n-]1 ZINC001455730993 1012497754 /nfs/dbraw/zinc/49/77/54/1012497754.db2.gz UHFIFNUASLUGJV-VIFPVBQESA-N -1 0 302.298 -0.401 20 0 DBADRM O=C(C=Cc1ccc[nH]1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484269805 1012497824 /nfs/dbraw/zinc/49/78/24/1012497824.db2.gz HJCGWKAOXGXFRX-ARJAWSKDSA-N -1 0 318.337 -0.785 20 0 DBADRM O=C(c1nc2ncccn2n1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001455744743 1012499629 /nfs/dbraw/zinc/49/96/29/1012499629.db2.gz QMNBOMBLLCVCEO-VIFPVBQESA-N -1 0 313.325 -0.268 20 0 DBADRM COC[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1nnn[n-]1 ZINC001455738660 1012500567 /nfs/dbraw/zinc/50/05/67/1012500567.db2.gz QCMWJPHVNWYAEO-GZMMTYOYSA-N -1 0 305.294 -0.157 20 0 DBADRM CCc1c[nH]c(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001455738789 1012500637 /nfs/dbraw/zinc/50/06/37/1012500637.db2.gz ZQHXQYJNLDZIGU-UHFFFAOYSA-N -1 0 301.310 -0.327 20 0 DBADRM O=C(CC1CC1)NC[C@@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001455757290 1012506311 /nfs/dbraw/zinc/50/63/11/1012506311.db2.gz OBWPIYYBOAOHCM-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM CCN1CC(O)(CNC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC001484282331 1012521910 /nfs/dbraw/zinc/52/19/10/1012521910.db2.gz FYUCMBUTZXXLSO-UHFFFAOYSA-N -1 0 310.398 -0.442 20 0 DBADRM Cn1nccc1[C@H](O)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001456191018 1012570820 /nfs/dbraw/zinc/57/08/20/1012570820.db2.gz JMQWRPAOAHWPOZ-SECBINFHSA-N -1 0 310.314 -0.947 20 0 DBADRM O=C(N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC12CC2 ZINC001484444268 1012663842 /nfs/dbraw/zinc/66/38/42/1012663842.db2.gz QMCPWSPJLCDIDC-BONVTDFDSA-N -1 0 321.381 -0.247 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@]1(OC)CCS(=O)(=O)C1 ZINC001456383033 1012681964 /nfs/dbraw/zinc/68/19/64/1012681964.db2.gz HXZHCUPKJDOTND-NSHDSACASA-N -1 0 309.340 -0.809 20 0 DBADRM CCC1(C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001456391286 1012685230 /nfs/dbraw/zinc/68/52/30/1012685230.db2.gz RBUCNBIMNZSWTN-UHFFFAOYSA-N -1 0 309.326 -0.794 20 0 DBADRM O=C(CCCF)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001456565002 1012758736 /nfs/dbraw/zinc/75/87/36/1012758736.db2.gz SBVHWBGHGUDBEJ-UHFFFAOYSA-N -1 0 313.289 -0.779 20 0 DBADRM COCCNc1nc(CC(=O)NCC(=O)[N-]OC)cs1 ZINC001456588810 1012770903 /nfs/dbraw/zinc/77/09/03/1012770903.db2.gz HNKAKYRHRCYNLW-UHFFFAOYSA-N -1 0 302.356 -0.462 20 0 DBADRM CO[N-]C(=O)CNC(=O)CNC(=O)NCc1ccc(C)cc1 ZINC001456588938 1012771945 /nfs/dbraw/zinc/77/19/45/1012771945.db2.gz HQRYGGOADLVPRR-UHFFFAOYSA-N -1 0 308.338 -0.412 20 0 DBADRM C[C@@H](NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1)c1nn(C)cc1[O-] ZINC001456789838 1012816021 /nfs/dbraw/zinc/81/60/21/1012816021.db2.gz PCBYHOQYDRAUIP-SZEHBUNVSA-N -1 0 306.326 -0.096 20 0 DBADRM COCCn1nc(C(=O)N[C@@H](C)c2nn(C)cc2[O-])ccc1=O ZINC001456797958 1012817226 /nfs/dbraw/zinc/81/72/26/1012817226.db2.gz SVKPUNRAKLHFNH-VIFPVBQESA-N -1 0 321.337 -0.180 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1CC12CC2 ZINC001456870376 1012825631 /nfs/dbraw/zinc/82/56/31/1012825631.db2.gz AFTCUAJNULJJGQ-IUCAKERBSA-N -1 0 323.353 -0.500 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1CC12CC2 ZINC001456870368 1012825814 /nfs/dbraw/zinc/82/58/14/1012825814.db2.gz AFTCUAJNULJJGQ-DTWKUNHWSA-N -1 0 323.353 -0.500 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1CC12CC2 ZINC001456870384 1012826808 /nfs/dbraw/zinc/82/68/08/1012826808.db2.gz AFTCUAJNULJJGQ-RKDXNWHRSA-N -1 0 323.353 -0.500 20 0 DBADRM O=C(NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccco1 ZINC001485012946 1012942208 /nfs/dbraw/zinc/94/22/08/1012942208.db2.gz MWRCHNWLKHLQJQ-UHFFFAOYSA-N -1 0 321.337 -0.140 20 0 DBADRM CCCc1c(C(=O)N2CC(O)(C(N)=O)C2)[nH]c(C)c1C(=O)[O-] ZINC001596031225 1017112232 /nfs/dbraw/zinc/11/22/32/1017112232.db2.gz UOVOAGZHERAPMJ-UHFFFAOYSA-N -1 0 309.322 -0.354 20 0 DBADRM CCCn1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001596112117 1017113438 /nfs/dbraw/zinc/11/34/38/1017113438.db2.gz ODZDIPDILGWSCW-NWDGAFQWSA-N -1 0 320.349 -0.046 20 0 DBADRM CCCn1cc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nn1 ZINC001596111759 1017113553 /nfs/dbraw/zinc/11/35/53/1017113553.db2.gz DQTCLCBQIGXPST-RKDXNWHRSA-N -1 0 309.326 -0.745 20 0 DBADRM CCCn1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001596111260 1017113647 /nfs/dbraw/zinc/11/36/47/1017113647.db2.gz NFHCRLKSGQKAGL-UWVGGRQHSA-N -1 0 321.337 -0.651 20 0 DBADRM CCCS(=O)(=O)CCN1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001595980197 1017113753 /nfs/dbraw/zinc/11/37/53/1017113753.db2.gz KZEJNMCBPRTHST-UWVGGRQHSA-N -1 0 307.368 -0.383 20 0 DBADRM CCCn1cc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1 ZINC001596116708 1017114757 /nfs/dbraw/zinc/11/47/57/1017114757.db2.gz NMQSQSNEAJWTDV-MWLCHTKSSA-N -1 0 324.337 -0.474 20 0 DBADRM COCCOc1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cn1 ZINC001596197957 1017120344 /nfs/dbraw/zinc/12/03/44/1017120344.db2.gz KTDDJFYWJZEFQJ-UHFFFAOYSA-N -1 0 323.309 -0.574 20 0 DBADRM CCN(CC(=O)[O-])C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC001596221432 1017121062 /nfs/dbraw/zinc/12/10/62/1017121062.db2.gz PGPXEWVDGDCANO-UHFFFAOYSA-N -1 0 320.305 -0.821 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1cncc(C(=O)OC)c1 ZINC001596228045 1017121075 /nfs/dbraw/zinc/12/10/75/1017121075.db2.gz BBOMJOGXGLCYOW-UHFFFAOYSA-N -1 0 302.308 -0.037 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCSC[C@H]1C(=O)[O-] ZINC001596277786 1017123175 /nfs/dbraw/zinc/12/31/75/1017123175.db2.gz IHBOFPGJTHERCZ-VIFPVBQESA-N -1 0 324.424 -0.313 20 0 DBADRM CCN(CCC1CC1)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001596321289 1017125179 /nfs/dbraw/zinc/12/51/79/1017125179.db2.gz KXXBWZOXUGCPGM-RYUDHWBXSA-N -1 0 312.366 -0.071 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1cn(C)nn1 ZINC001596327238 1017125508 /nfs/dbraw/zinc/12/55/08/1017125508.db2.gz VFENKHFKHQYEAU-NEPJUHHUSA-N -1 0 309.370 -0.136 20 0 DBADRM CC[N@H+](CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1n[nH]c(=O)[n-]1 ZINC001596327033 1017127079 /nfs/dbraw/zinc/12/70/79/1017127079.db2.gz QLJMAEPMYMJXAU-DTWKUNHWSA-N -1 0 311.342 -0.441 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)Cn1nccn1 ZINC001596327257 1017127949 /nfs/dbraw/zinc/12/79/49/1017127949.db2.gz VWQCQLAZSFCXQS-MNOVXSKESA-N -1 0 323.353 -0.646 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc2nnnn2n1 ZINC001596332636 1017128107 /nfs/dbraw/zinc/12/81/07/1017128107.db2.gz KPCBXUUMAGAZKC-DTWKUNHWSA-N -1 0 319.325 -0.818 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)Cc1ccon1 ZINC001596333510 1017128881 /nfs/dbraw/zinc/12/88/81/1017128881.db2.gz RFIKJNBEBKYPHL-WDEREUQCSA-N -1 0 309.322 -0.098 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)Cc1nnc(C)[nH]1 ZINC001596332935 1017128938 /nfs/dbraw/zinc/12/89/38/1017128938.db2.gz MUORYXJTVBHWJW-VHSXEESVSA-N -1 0 323.353 -0.659 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1cn(C)cn1 ZINC001596332557 1017128994 /nfs/dbraw/zinc/12/89/94/1017128994.db2.gz JSQUEEMUUSZQOH-VHSXEESVSA-N -1 0 308.338 -0.281 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1ccc(=O)[nH]n1 ZINC001596333968 1017130661 /nfs/dbraw/zinc/13/06/61/1017130661.db2.gz XXPYOTHYTCJXTG-RKDXNWHRSA-N -1 0 322.321 -0.519 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1cnn(C)c1 ZINC001596333886 1017130682 /nfs/dbraw/zinc/13/06/82/1017130682.db2.gz XGVRLKXKRBYLFX-WDEREUQCSA-N -1 0 308.338 -0.281 20 0 DBADRM CCN(CCNC(=O)c1cnns1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596335403 1017130690 /nfs/dbraw/zinc/13/06/90/1017130690.db2.gz OZHMOTPCYDBPPK-YUMQZZPRSA-N -1 0 312.351 -0.163 20 0 DBADRM CCN(CCNc1ccnc(C(=O)[O-])n1)C(=O)Cc1cc[nH]n1 ZINC001596338999 1017130950 /nfs/dbraw/zinc/13/09/50/1017130950.db2.gz BHFWNMFALXUGIV-UHFFFAOYSA-N -1 0 318.337 -0.177 20 0 DBADRM CCN(CCNCc1nnnn1C1CC1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596339813 1017131444 /nfs/dbraw/zinc/13/14/44/1017131444.db2.gz PWYWEVNJXIQIQY-QWRGUYRKSA-N -1 0 322.369 -0.333 20 0 DBADRM CCN(CCO)C(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001596340576 1017131472 /nfs/dbraw/zinc/13/14/72/1017131472.db2.gz CTFLXEHIZVEBQY-LLVKDONJSA-N -1 0 300.355 -0.069 20 0 DBADRM CCN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1cccnn1 ZINC001596339436 1017131645 /nfs/dbraw/zinc/13/16/45/1017131645.db2.gz KOOGGRRPYRDYMX-UHFFFAOYSA-N -1 0 316.321 -0.039 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1n[nH]nc1C ZINC001596333838 1017131902 /nfs/dbraw/zinc/13/19/02/1017131902.db2.gz WLFTZNNKVWEBIX-IUCAKERBSA-N -1 0 309.326 -0.588 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1n[nH]nc1C ZINC001596333836 1017132120 /nfs/dbraw/zinc/13/21/20/1017132120.db2.gz WLFTZNNKVWEBIX-BDAKNGLRSA-N -1 0 309.326 -0.588 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1cnn(C)c1 ZINC001596333884 1017132163 /nfs/dbraw/zinc/13/21/63/1017132163.db2.gz XGVRLKXKRBYLFX-MNOVXSKESA-N -1 0 308.338 -0.281 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)CNC(=O)OC ZINC001596333634 1017132196 /nfs/dbraw/zinc/13/21/96/1017132196.db2.gz UKTKPSBJEHTRPG-IUCAKERBSA-N -1 0 315.326 -0.972 20 0 DBADRM CCN(OC)C(=O)CNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001596384571 1017133665 /nfs/dbraw/zinc/13/36/65/1017133665.db2.gz XWQFVUDQBPSBOR-SECBINFHSA-N -1 0 303.315 -0.719 20 0 DBADRM CCN(CCOCCO)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001596346037 1017133690 /nfs/dbraw/zinc/13/36/90/1017133690.db2.gz YZWRAQBWIIZGOM-UHFFFAOYSA-N -1 0 318.351 -0.201 20 0 DBADRM CCN(OC)C(=O)CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001596380607 1017134586 /nfs/dbraw/zinc/13/45/86/1017134586.db2.gz RBKCIQQLIREADZ-VHSXEESVSA-N -1 0 302.327 -0.218 20 0 DBADRM CCN(CCS(C)(=O)=O)[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001596347633 1017134911 /nfs/dbraw/zinc/13/49/11/1017134911.db2.gz XJMDKVNJBOVQKN-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM CCN1C(=O)[C@@H]2CN(Cc3oncc3C(=O)[O-])CCN2C1=O ZINC001596389852 1017135050 /nfs/dbraw/zinc/13/50/50/1017135050.db2.gz OMGPYNPGVVDIEM-VIFPVBQESA-N -1 0 308.294 -0.159 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001596383741 1017135180 /nfs/dbraw/zinc/13/51/80/1017135180.db2.gz FUQGJZVMKMUHCH-UWVGGRQHSA-N -1 0 322.383 -0.041 20 0 DBADRM CCN1C[C@H](C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CC1=O ZINC001596394986 1017135953 /nfs/dbraw/zinc/13/59/53/1017135953.db2.gz QJMZQFLHSXYCFH-YMTOWFKASA-N -1 0 309.322 -0.313 20 0 DBADRM CCN1C[C@H](CNC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CC1=O ZINC001596397759 1017137039 /nfs/dbraw/zinc/13/70/39/1017137039.db2.gz NQLYLXIWLBTPQF-DCAQKATOSA-N -1 0 313.354 -0.262 20 0 DBADRM CCN1C[C@H](CN2C(=O)[C@H]3C[C@@H](C(=O)[O-])CCN3C2=O)CC1=O ZINC001596395932 1017137054 /nfs/dbraw/zinc/13/70/54/1017137054.db2.gz JVSWVCXRCZDNMK-OUAUKWLOSA-N -1 0 323.349 -0.018 20 0 DBADRM CCN1C[C@H](CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1=O ZINC001596397420 1017137294 /nfs/dbraw/zinc/13/72/94/1017137294.db2.gz HFHQGMKNBMBPJG-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2CC[C@](OC)(C(=O)[O-])C2)CC1=O ZINC001596402674 1017137622 /nfs/dbraw/zinc/13/76/22/1017137622.db2.gz PUGSBWHQFRGPER-JOYOIKCWSA-N -1 0 320.367 -0.888 20 0 DBADRM CCN1CC[C@H]1CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001596415276 1017139488 /nfs/dbraw/zinc/13/94/88/1017139488.db2.gz NORDTPOAYHDGGO-JTQLQIEISA-N -1 0 308.338 -0.128 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)CC1=O ZINC001596403210 1017140271 /nfs/dbraw/zinc/14/02/71/1017140271.db2.gz WXHOCJDFXLSABQ-KCJUWKMLSA-N -1 0 322.408 -0.513 20 0 DBADRM CCN1CC[C@H](NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1=O ZINC001596409885 1017140810 /nfs/dbraw/zinc/14/08/10/1017140810.db2.gz RFKYIEYETZGVMM-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN1CCCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1=O ZINC001596425423 1017142032 /nfs/dbraw/zinc/14/20/32/1017142032.db2.gz DWULBKWGAAYFPQ-AOOOYVTPSA-N -1 0 304.368 -0.266 20 0 DBADRM CCN1CCO[C@H](C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])C1 ZINC001596442507 1017145637 /nfs/dbraw/zinc/14/56/37/1017145637.db2.gz MNYXXKSXCOHXEZ-FZMZJTMJSA-N -1 0 310.354 -0.437 20 0 DBADRM CCN1CCO[C@@H](C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)C1 ZINC001596442185 1017145751 /nfs/dbraw/zinc/14/57/51/1017145751.db2.gz GPPNGSVSKUGPGS-GFCCVEGCSA-N -1 0 308.338 -0.246 20 0 DBADRM CCN1CCO[C@H](C(=O)NCCNc2ncc(C(=O)[O-])cn2)C1 ZINC001596442823 1017145972 /nfs/dbraw/zinc/14/59/72/1017145972.db2.gz SOYQNKXBKFVART-NSHDSACASA-N -1 0 323.353 -0.576 20 0 DBADRM CCN1CCN(CCc2noc([C@@H](C)CC(=O)[O-])n2)C(=O)C1=O ZINC001596436628 1017146459 /nfs/dbraw/zinc/14/64/59/1017146459.db2.gz XDPPCYSVGLCBGY-VIFPVBQESA-N -1 0 324.337 -0.119 20 0 DBADRM CCNC(=O)CC(=O)NC/C=C/CNc1ncc(C(=O)[O-])cn1 ZINC001596455904 1017149056 /nfs/dbraw/zinc/14/90/56/1017149056.db2.gz BPEHSWBYEWPAGL-ONEGZZNKSA-N -1 0 321.337 -0.215 20 0 DBADRM CCNC(=O)CC(=O)NC[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001596456643 1017149123 /nfs/dbraw/zinc/14/91/23/1017149123.db2.gz XAYWREYZMMFOTI-QMMMGPOBSA-N -1 0 309.326 -0.382 20 0 DBADRM CCN1CN(CCCN2C(=O)CS/C2=C\C(=O)[O-])CC1=O ZINC001596449892 1017149512 /nfs/dbraw/zinc/14/95/12/1017149512.db2.gz NZHOFEQHPFDQHG-SDQBBNPISA-N -1 0 313.379 -0.001 20 0 DBADRM CCNC(=O)CC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001596456703 1017149984 /nfs/dbraw/zinc/14/99/84/1017149984.db2.gz ZBSQFRPJLHETPB-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM CCNC(=O)CC(=O)N(C)[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001596456613 1017150340 /nfs/dbraw/zinc/15/03/40/1017150340.db2.gz VZIIUNBDPMGLCZ-VIFPVBQESA-N -1 0 323.353 -0.040 20 0 DBADRM CCN1CN(S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)CC1=O ZINC001596450066 1017150402 /nfs/dbraw/zinc/15/04/02/1017150402.db2.gz SRFNOCLGLXPZOK-UHFFFAOYSA-N -1 0 313.335 -0.101 20 0 DBADRM CCNC(=O)N1CC[C@H](N2C(=O)N[C@H](CCC(=O)[O-])C2=O)C1 ZINC001596468893 1017151304 /nfs/dbraw/zinc/15/13/04/1017151304.db2.gz ZJKLPFRROJMSGO-DTWKUNHWSA-N -1 0 312.326 -0.425 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)NCCOCC(=O)[O-])C1 ZINC001596468647 1017151479 /nfs/dbraw/zinc/15/14/79/1017151479.db2.gz SRFLRGSRJOVTHQ-SECBINFHSA-N -1 0 302.331 -0.809 20 0 DBADRM CCNC(=O)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])CC2 ZINC001596461775 1017153007 /nfs/dbraw/zinc/15/30/07/1017153007.db2.gz JQPLIRZMKJHSBL-VXGBXAGGSA-N -1 0 323.393 -0.232 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001596462387 1017153021 /nfs/dbraw/zinc/15/30/21/1017153021.db2.gz ZGJKBOUCXJPOME-UHFFFAOYSA-N -1 0 323.305 -0.416 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N(CC(=O)[O-])CC(=O)OC)C(C)=O ZINC001596525826 1017154210 /nfs/dbraw/zinc/15/42/10/1017154210.db2.gz GZWPNTXSGJMDIA-VIFPVBQESA-N -1 0 317.294 -0.769 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001596510491 1017155705 /nfs/dbraw/zinc/15/57/05/1017155705.db2.gz OPUANSKEHGORAR-IUCAKERBSA-N -1 0 315.322 -0.092 20 0 DBADRM CCOC(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001596526619 1017157802 /nfs/dbraw/zinc/15/78/02/1017157802.db2.gz PPWJHHDXEWZMHJ-SSDOTTSWSA-N -1 0 304.324 -0.047 20 0 DBADRM CCOC(=O)[C@H]1CSCCN1Cc1cn(CC(=O)[O-])nn1 ZINC001596583099 1017160331 /nfs/dbraw/zinc/16/03/31/1017160331.db2.gz JRLUQZPWLBGWSO-SNVBAGLBSA-N -1 0 314.367 -0.157 20 0 DBADRM CCOC(=O)[C@H]1CN(CCc2cn(CC(=O)[O-])nn2)CCO1 ZINC001596585033 1017160519 /nfs/dbraw/zinc/16/05/19/1017160519.db2.gz DORKDQMAPFQLHT-LLVKDONJSA-N -1 0 312.326 -0.831 20 0 DBADRM CCOC(=O)[C@H]1CN([C@H](C)C(=O)NCC(=O)[O-])CC12COC2 ZINC001596586001 1017160600 /nfs/dbraw/zinc/16/06/00/1017160600.db2.gz WHDJZUIQYYCPKV-NXEZZACHSA-N -1 0 314.338 -0.913 20 0 DBADRM CCOC(=O)C[C@H](C)CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC001596592378 1017160696 /nfs/dbraw/zinc/16/06/96/1017160696.db2.gz HVGCMNDENCGCLU-VIFPVBQESA-N -1 0 310.372 -0.183 20 0 DBADRM CCOC(=O)C[C@@H](CO)NC(=O)c1csc(C(=O)[O-])n1 ZINC001596592563 1017160940 /nfs/dbraw/zinc/16/09/40/1017160940.db2.gz MBEVDSSQHSMKNO-LURJTMIESA-N -1 0 302.308 -0.115 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001596620223 1017163558 /nfs/dbraw/zinc/16/35/58/1017163558.db2.gz QVVFOQSOFZQGKH-XQRVVYSFSA-N -1 0 324.289 -0.132 20 0 DBADRM CCOC(=O)COCCNS(=O)(=O)c1occc1C(=O)[O-] ZINC001596628821 1017164971 /nfs/dbraw/zinc/16/49/71/1017164971.db2.gz KQXFXIOFTMEHDY-UHFFFAOYSA-N -1 0 321.307 -0.164 20 0 DBADRM CCOC(=O)N1CCC(C(=O)NCC[C@H](O)C(=O)[O-])CC1 ZINC001596642535 1017165050 /nfs/dbraw/zinc/16/50/50/1017165050.db2.gz CNWQESMVGTXLME-JTQLQIEISA-N -1 0 302.327 -0.193 20 0 DBADRM CCOC(=O)COCCN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001596629239 1017165591 /nfs/dbraw/zinc/16/55/91/1017165591.db2.gz PSQRKUBMNKXNNW-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM CCOC(=O)[C@H](C)N(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001596685848 1017167323 /nfs/dbraw/zinc/16/73/23/1017167323.db2.gz YDPGXCMCSXFLOQ-UWVGGRQHSA-N -1 0 314.338 -0.280 20 0 DBADRM CCOC(=O)c1cnn2c1nccc2C(=O)NC[C@H](O)C(=O)[O-] ZINC001596744319 1017168742 /nfs/dbraw/zinc/16/87/42/1017168742.db2.gz RFMOKMITAHRIHC-VIFPVBQESA-N -1 0 322.277 -0.919 20 0 DBADRM CCOC(=O)c1cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)on1 ZINC001596700178 1017168845 /nfs/dbraw/zinc/16/88/45/1017168845.db2.gz IUQPCQFHTBDFPB-UHFFFAOYSA-N -1 0 312.278 -0.097 20 0 DBADRM CCO[C@H](C)C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O ZINC001596773243 1017170573 /nfs/dbraw/zinc/17/05/73/1017170573.db2.gz ZRNNQMMDMMXOBS-IEBDPFPHSA-N -1 0 324.337 -0.735 20 0 DBADRM CCO[C@@H]1C[C@@](NC(=O)C2(NC(N)=O)CC2)(C(=O)[O-])C1(C)C ZINC001596814550 1017170674 /nfs/dbraw/zinc/17/06/74/1017170674.db2.gz ZSWNXHXRMCHWRH-XLKFXECMSA-N -1 0 313.354 -0.038 20 0 DBADRM CCO[C@H]1C[C@](NC(=O)C2(NC(N)=O)CC2)(C(=O)[O-])C1(C)C ZINC001596814549 1017170711 /nfs/dbraw/zinc/17/07/11/1017170711.db2.gz ZSWNXHXRMCHWRH-RTHLEPHNSA-N -1 0 313.354 -0.038 20 0 DBADRM CCOC(C)(C)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001596768330 1017170991 /nfs/dbraw/zinc/17/09/91/1017170991.db2.gz FSCNXCICTJNLKE-UHFFFAOYSA-N -1 0 312.326 -0.012 20 0 DBADRM CCO[C@H](CC)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001596780883 1017171665 /nfs/dbraw/zinc/17/16/65/1017171665.db2.gz PVPJMIXTPLJPIP-VDDIYKPWSA-N -1 0 307.368 -0.194 20 0 DBADRM CCO[C@H]1C[C@](NC(=O)CCNC(=O)CO)(C(=O)[O-])C1(C)C ZINC001596819066 1017173279 /nfs/dbraw/zinc/17/32/79/1017173279.db2.gz ZZLJINGOUHMQSZ-XPTSAGLGSA-N -1 0 316.354 -0.740 20 0 DBADRM CCO[C@H]1COCC[C@@H]1CC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001596854539 1017173616 /nfs/dbraw/zinc/17/36/16/1017173616.db2.gz DRKDGGOAUXKOHS-WYUUTHIRSA-N -1 0 301.339 -0.136 20 0 DBADRM CCOCC(=O)N1CCO[C@@H](CNc2ncc(C(=O)[O-])cn2)C1 ZINC001596861953 1017174280 /nfs/dbraw/zinc/17/42/80/1017174280.db2.gz QLRJEAHNGMSGKM-NSHDSACASA-N -1 0 324.337 -0.149 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001596872808 1017175816 /nfs/dbraw/zinc/17/58/16/1017175816.db2.gz PYGKWELMMPYXRS-ZJUUUORDSA-N -1 0 305.352 -0.117 20 0 DBADRM CCOCCCCNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001596907411 1017177845 /nfs/dbraw/zinc/17/78/45/1017177845.db2.gz HFFWXQALCOKQIJ-WDEREUQCSA-N -1 0 316.354 -0.787 20 0 DBADRM CCOCCN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])CCO2 ZINC001596928821 1017178013 /nfs/dbraw/zinc/17/80/13/1017178013.db2.gz DNNBUPQIYOVJCA-VXGBXAGGSA-N -1 0 312.366 -0.343 20 0 DBADRM CCOCCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C[C@H]21 ZINC001596897217 1017178075 /nfs/dbraw/zinc/17/80/75/1017178075.db2.gz NABVZMSCSATACO-OQEOFVATSA-N -1 0 310.350 -0.293 20 0 DBADRM CCOCCCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001596907595 1017178510 /nfs/dbraw/zinc/17/85/10/1017178510.db2.gz NWXAJORAEHTFBM-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@@H](C)/C=C/C(=O)[O-] ZINC001596945357 1017180555 /nfs/dbraw/zinc/18/05/55/1017180555.db2.gz ZCPHUTCJCVLLPS-MOVJSRMASA-N -1 0 308.356 -0.912 20 0 DBADRM CCOCCn1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cn1 ZINC001596944058 1017181366 /nfs/dbraw/zinc/18/13/66/1017181366.db2.gz GZZBKCQALBSKKT-NSHDSACASA-N -1 0 324.337 -0.665 20 0 DBADRM CCOCCNC(=O)CN1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC001596929500 1017181961 /nfs/dbraw/zinc/18/19/61/1017181961.db2.gz KNHNECLQSMWBTI-UHFFFAOYSA-N -1 0 301.387 -0.380 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)NC1CC(CC(=O)[O-])C1 ZINC001596945241 1017182027 /nfs/dbraw/zinc/18/20/27/1017182027.db2.gz WLAXXFWSBGOYRC-UHFFFAOYSA-N -1 0 322.383 -0.688 20 0 DBADRM CCON(C)C(=O)CNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001596963469 1017183393 /nfs/dbraw/zinc/18/33/93/1017183393.db2.gz KNXBFHYMVUIHCB-UHFFFAOYSA-N -1 0 317.342 -0.423 20 0 DBADRM CCO[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)C1 ZINC001596986302 1017183406 /nfs/dbraw/zinc/18/34/06/1017183406.db2.gz JXQSJYGTGLTIKA-ISTVAULSSA-N -1 0 314.338 -0.628 20 0 DBADRM CCON(C)C(=O)CN1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001596963033 1017183784 /nfs/dbraw/zinc/18/37/84/1017183784.db2.gz CXDGJONUJLENAM-RKDXNWHRSA-N -1 0 313.310 -0.476 20 0 DBADRM CCOc1cc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)[nH]n1 ZINC001597005578 1017184155 /nfs/dbraw/zinc/18/41/55/1017184155.db2.gz QCKCHGLFXPCCEJ-UHFFFAOYSA-N -1 0 320.309 -0.440 20 0 DBADRM CCON(C)C(=O)CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001596963084 1017184272 /nfs/dbraw/zinc/18/42/72/1017184272.db2.gz FIUSCRDCPAIDAL-VHSXEESVSA-N -1 0 302.327 -0.075 20 0 DBADRM CCO[C@H]1C[C@@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001596986209 1017184435 /nfs/dbraw/zinc/18/44/35/1017184435.db2.gz FASZDGSPFMSCNP-AATLWQCWSA-N -1 0 301.343 -0.169 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001596980454 1017184546 /nfs/dbraw/zinc/18/45/46/1017184546.db2.gz CYXQYTPYWZKXSK-GIPNMCIBSA-N -1 0 302.327 -0.325 20 0 DBADRM CCOc1ccc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])cn1 ZINC001597060167 1017185964 /nfs/dbraw/zinc/18/59/64/1017185964.db2.gz PGQYSZRWHQYRPJ-JTQLQIEISA-N -1 0 305.294 -0.045 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)NCc2nc(=O)o[n-]2)cc1 ZINC001597160045 1017185985 /nfs/dbraw/zinc/18/59/85/1017185985.db2.gz URYSNNUZRUHGCE-UHFFFAOYSA-N -1 0 301.266 -0.423 20 0 DBADRM CCOc1cccc(CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC001597149307 1017186066 /nfs/dbraw/zinc/18/60/66/1017186066.db2.gz FALLBPNIRKKEGQ-LLVKDONJSA-N -1 0 321.333 -0.176 20 0 DBADRM CCOc1ccc(C(=O)NCC(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC001597062370 1017186317 /nfs/dbraw/zinc/18/63/17/1017186317.db2.gz JNVFBQJQGJFJFS-NSHDSACASA-N -1 0 310.306 -0.623 20 0 DBADRM CCOc1ccncc1S(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-] ZINC001597186762 1017186686 /nfs/dbraw/zinc/18/66/86/1017186686.db2.gz ZBWDYXDRMGRVAA-SNVBAGLBSA-N -1 0 318.351 -0.017 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001597215796 1017188563 /nfs/dbraw/zinc/18/85/63/1017188563.db2.gz GHXQWPBKQGXORW-MRVPVSSYSA-N -1 0 310.397 -0.704 20 0 DBADRM CC[C@@H]1C(=O)NCCCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597293498 1017195965 /nfs/dbraw/zinc/19/59/65/1017195965.db2.gz MPFZJTSBYZEBHX-KXUCPTDWSA-N -1 0 304.368 -0.220 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCCOCCO ZINC001597784577 1017206721 /nfs/dbraw/zinc/20/67/21/1017206721.db2.gz UUECEJWCNWOJJC-UHFFFAOYSA-N -1 0 307.324 -0.173 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC001597225217 1017192631 /nfs/dbraw/zinc/19/26/31/1017192631.db2.gz NYXVRDQKYNWBNG-LLVKDONJSA-N -1 0 316.335 -0.427 20 0 DBADRM CCc1[nH]c(C(=O)N2CC3(C2)NC(=O)NC3=O)c(C)c1C(=O)[O-] ZINC001597357688 1017194938 /nfs/dbraw/zinc/19/49/38/1017194938.db2.gz HDBKPGVWZUPUAK-UHFFFAOYSA-N -1 0 320.305 -0.382 20 0 DBADRM CC[C@@H](O)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001597292080 1017196557 /nfs/dbraw/zinc/19/65/57/1017196557.db2.gz SAOHOFHZQJKZIN-SKDRFNHKSA-N -1 0 322.317 -0.248 20 0 DBADRM CCc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1C ZINC001597426462 1017198836 /nfs/dbraw/zinc/19/88/36/1017198836.db2.gz INKBKCQFHDVULC-QWRGUYRKSA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1cc(CC(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n(C)n1 ZINC001597471510 1017199133 /nfs/dbraw/zinc/19/91/33/1017199133.db2.gz PRWVXSLQIGYINV-RYUDHWBXSA-N -1 0 322.365 -0.522 20 0 DBADRM CCc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n(C)n1 ZINC001597429597 1017199166 /nfs/dbraw/zinc/19/91/66/1017199166.db2.gz LDZNEKCEQBVLFT-GHMZBOCLSA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1cc(C(=O)[O-])c(NC(=O)C(=O)NCC(=O)NC)s1 ZINC001597438862 1017199310 /nfs/dbraw/zinc/19/93/10/1017199310.db2.gz QMICKBUOGXDKDM-UHFFFAOYSA-N -1 0 313.335 -0.191 20 0 DBADRM CCc1c(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cnn1C ZINC001597402622 1017199388 /nfs/dbraw/zinc/19/93/88/1017199388.db2.gz QKGKSNKCACCJBX-NXEZZACHSA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1ccnc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC001597622460 1017202534 /nfs/dbraw/zinc/20/25/34/1017202534.db2.gz VBJDLIALKJDWGI-LLVKDONJSA-N -1 0 312.347 -0.032 20 0 DBADRM CCc1nc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)no1 ZINC001597667898 1017203268 /nfs/dbraw/zinc/20/32/68/1017203268.db2.gz ZZGAFGXNBQVOFZ-RKDXNWHRSA-N -1 0 324.337 -0.984 20 0 DBADRM CCc1nc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)sc1C(=O)[O-] ZINC001597680229 1017203468 /nfs/dbraw/zinc/20/34/68/1017203468.db2.gz KOAIGTHNONHRNS-YFKPBYRVSA-N -1 0 312.307 -0.060 20 0 DBADRM CCc1nc[nH]c1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597697403 1017203676 /nfs/dbraw/zinc/20/36/76/1017203676.db2.gz CSODGAPDKPLADH-ZJUUUORDSA-N -1 0 320.349 -0.024 20 0 DBADRM CCc1noc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)n1 ZINC001597750770 1017205279 /nfs/dbraw/zinc/20/52/79/1017205279.db2.gz JRPFOZGKGGCOES-RNFRBKRXSA-N -1 0 312.282 -0.031 20 0 DBADRM CCc1nncn1CCN1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001597735497 1017205427 /nfs/dbraw/zinc/20/54/27/1017205427.db2.gz FZMULVADQMGFHS-NXEZZACHSA-N -1 0 321.337 -0.032 20 0 DBADRM CCc1noc(CCCC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])n1 ZINC001597748869 1017205818 /nfs/dbraw/zinc/20/58/18/1017205818.db2.gz QPMBAZVDXKKUMC-SECBINFHSA-N -1 0 324.337 -0.292 20 0 DBADRM CCc1nnc(N2C[C@@H](CC(=O)[O-])[C@H](O)C2)n1CC(C)(C)O ZINC001597734496 1017206198 /nfs/dbraw/zinc/20/61/98/1017206198.db2.gz AGHRDHBJPMGLAR-NXEZZACHSA-N -1 0 312.370 -0.117 20 0 DBADRM CCc1nocc1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597754416 1017206705 /nfs/dbraw/zinc/20/67/05/1017206705.db2.gz DSTKHROUQJHCRG-DTWKUNHWSA-N -1 0 307.306 -0.102 20 0 DBADRM CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001597842812 1017207789 /nfs/dbraw/zinc/20/77/89/1017207789.db2.gz CFEQONNIIZCQSB-KXUCPTDWSA-N -1 0 323.353 -0.073 20 0 DBADRM CCn1c(-c2cn(C)nn2)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001597827464 1017207907 /nfs/dbraw/zinc/20/79/07/1017207907.db2.gz OSBWBWOVDJGOTF-SECBINFHSA-N -1 0 307.314 -0.617 20 0 DBADRM CCn1c([C@H](O)COC)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001597842563 1017208061 /nfs/dbraw/zinc/20/80/61/1017208061.db2.gz JESZDKQCWGASIZ-PRHODGIISA-N -1 0 302.306 -0.019 20 0 DBADRM CCc1ocnc1C(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597811189 1017208297 /nfs/dbraw/zinc/20/82/97/1017208297.db2.gz ZQICAVGQCIFYLN-BDAKNGLRSA-N -1 0 307.306 -0.102 20 0 DBADRM CCn1c(Cc2cnn(C)c2)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001597856188 1017208308 /nfs/dbraw/zinc/20/83/08/1017208308.db2.gz LEZBDWSYHYWRRU-LLVKDONJSA-N -1 0 320.353 -0.088 20 0 DBADRM CCn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1[C@@]1(C)CNC(=O)C1 ZINC001597858194 1017208391 /nfs/dbraw/zinc/20/83/91/1017208391.db2.gz ATCVOMSLQSOENJ-LKFCYVNXSA-N -1 0 323.353 -0.635 20 0 DBADRM CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001597842814 1017208949 /nfs/dbraw/zinc/20/89/49/1017208949.db2.gz CFEQONNIIZCQSB-OPRDCNLKSA-N -1 0 323.353 -0.073 20 0 DBADRM CCn1c(C[S@](C)=O)nnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC001597857486 1017209070 /nfs/dbraw/zinc/20/90/70/1017209070.db2.gz XSZGUTIFLUSBRO-FPVGNUTFSA-N -1 0 316.383 -0.144 20 0 DBADRM CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001597828965 1017209270 /nfs/dbraw/zinc/20/92/70/1017209270.db2.gz PGFOVZUZUPCEIU-JTQLQIEISA-N -1 0 306.326 -0.012 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)cn1 ZINC001597898105 1017211190 /nfs/dbraw/zinc/21/11/90/1017211190.db2.gz FTJRTHAIMYXJRP-NSHDSACASA-N -1 0 303.340 -0.327 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)nn1 ZINC001597887578 1017211247 /nfs/dbraw/zinc/21/12/47/1017211247.db2.gz OYIPPLDDOQLOCV-SCZZXKLOSA-N -1 0 309.326 -0.764 20 0 DBADRM CCn1cc(NC(=O)NCCn2cc(C(=O)[O-])nn2)ccc1=O ZINC001597896539 1017211438 /nfs/dbraw/zinc/21/14/38/1017211438.db2.gz PXPAAGPFLANJOQ-UHFFFAOYSA-N -1 0 320.309 -0.020 20 0 DBADRM CCn1cc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001597877004 1017211507 /nfs/dbraw/zinc/21/15/07/1017211507.db2.gz NAJBTINNMUEJGY-QKMQQOOLSA-N -1 0 321.337 -0.579 20 0 DBADRM CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001597876756 1017211936 /nfs/dbraw/zinc/21/19/36/1017211936.db2.gz IFYYSRSNSGJTFJ-KYXWUPHJSA-N -1 0 321.337 -0.604 20 0 DBADRM CCn1cc(C(=O)NC[C@H](C)Nc2ccnc(C(=O)[O-])n2)nn1 ZINC001597874059 1017212730 /nfs/dbraw/zinc/21/27/30/1017212730.db2.gz GIIMUVAVERCBDC-QMMMGPOBSA-N -1 0 319.325 -0.562 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)[N-]OCC(N)=O ZINC001597916726 1017213384 /nfs/dbraw/zinc/21/33/84/1017213384.db2.gz CBJYNDCLKNAASF-KOLCDFICSA-N -1 0 300.359 -0.260 20 0 DBADRM CCn1ccc(CNC(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)n1 ZINC001597905091 1017213682 /nfs/dbraw/zinc/21/36/82/1017213682.db2.gz VBEZDZYIRXGBID-WDEREUQCSA-N -1 0 324.337 -0.082 20 0 DBADRM CCn1ccnc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001597910916 1017214138 /nfs/dbraw/zinc/21/41/38/1017214138.db2.gz KTLAFBRPNMAGEP-MNOVXSKESA-N -1 0 320.349 -0.092 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001597898321 1017214301 /nfs/dbraw/zinc/21/43/01/1017214301.db2.gz UXWPACBBQJUPKT-VHSXEESVSA-N -1 0 303.340 -0.498 20 0 DBADRM CCn1cccc(Cn2nnnc2N2CC[C@@H](C(=O)[O-])C2)c1=O ZINC001597910852 1017214869 /nfs/dbraw/zinc/21/48/69/1017214869.db2.gz DHIYNWNREZDTQF-LLVKDONJSA-N -1 0 318.337 -0.186 20 0 DBADRM CCn1nc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)ccc1=O ZINC001597926846 1017216047 /nfs/dbraw/zinc/21/60/47/1017216047.db2.gz JTDWSSVOFBJVGX-GFCCVEGCSA-N -1 0 309.322 -0.439 20 0 DBADRM CCn1cnc2c1CCN(S(=O)(=O)N(C)CCC(=O)[O-])C2 ZINC001597922685 1017216066 /nfs/dbraw/zinc/21/60/66/1017216066.db2.gz CUSZBUNWOFHAEH-UHFFFAOYSA-N -1 0 316.383 -0.088 20 0 DBADRM CCn1nc(C)c(CNC(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001597938571 1017216878 /nfs/dbraw/zinc/21/68/78/1017216878.db2.gz ZXJYSKZLSJUMKU-UHFFFAOYSA-N -1 0 322.329 -0.604 20 0 DBADRM CCn1nc(C)cc1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597943499 1017217779 /nfs/dbraw/zinc/21/77/79/1017217779.db2.gz YGLXLNLUHCZBJM-WDEREUQCSA-N -1 0 320.349 -0.127 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])c1C ZINC001597943507 1017217788 /nfs/dbraw/zinc/21/77/88/1017217788.db2.gz ZTBUJGISXJIMIE-VIFPVBQESA-N -1 0 305.356 -0.366 20 0 DBADRM CCn1ncc(Cn2cnc3c(cnn3CC(=O)[O-])c2=O)n1 ZINC001597958837 1017218446 /nfs/dbraw/zinc/21/84/46/1017218446.db2.gz WYIXKYOIFWFUQH-UHFFFAOYSA-N -1 0 303.282 -0.663 20 0 DBADRM CCn1nccc1C(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597962674 1017219017 /nfs/dbraw/zinc/21/90/17/1017219017.db2.gz QODMUEASYOXYOB-WDEREUQCSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1ncc(CN2C(=O)[C@@H]3CC[C@H](C(=O)[O-])CN3C2=O)n1 ZINC001597957109 1017219175 /nfs/dbraw/zinc/21/91/75/1017219175.db2.gz MDVCMWNJQZVIIS-WPRPVWTQSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1ncc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)OC)n1 ZINC001597951137 1017219651 /nfs/dbraw/zinc/21/96/51/1017219651.db2.gz XZJVZRJROBQJQQ-SCZZXKLOSA-N -1 0 310.310 -0.224 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1 ZINC001597968473 1017220047 /nfs/dbraw/zinc/22/00/47/1017220047.db2.gz WCFATDVCECBQTQ-SNVBAGLBSA-N -1 0 313.339 -0.259 20 0 DBADRM CCn1ncc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)OC)n1 ZINC001597951139 1017220118 /nfs/dbraw/zinc/22/01/18/1017220118.db2.gz XZJVZRJROBQJQQ-WPRPVWTQSA-N -1 0 310.310 -0.224 20 0 DBADRM CCn1ncc(C(=O)NC[C@@H](C)Nc2ccnc(C(=O)[O-])n2)n1 ZINC001597953735 1017220233 /nfs/dbraw/zinc/22/02/33/1017220233.db2.gz QIFUDIMFRNWHDY-MRVPVSSYSA-N -1 0 319.325 -0.562 20 0 DBADRM CCn1ncc(C(=O)N(C)CCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001597951092 1017220245 /nfs/dbraw/zinc/22/02/45/1017220245.db2.gz XASPCPJAIGRPKM-UWVGGRQHSA-N -1 0 323.353 -0.451 20 0 DBADRM CCn1ncnc1COC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001597972785 1017221307 /nfs/dbraw/zinc/22/13/07/1017221307.db2.gz LRWHQAIZFCAMAX-VIFPVBQESA-N -1 0 310.310 -0.336 20 0 DBADRM CCn1nncc1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001597973987 1017221353 /nfs/dbraw/zinc/22/13/53/1017221353.db2.gz JZHLBUJGRODFJO-QMMMGPOBSA-N -1 0 305.298 -0.325 20 0 DBADRM CCn1nncc1C(=O)N(CCC(=O)[O-])CC(OC)OC ZINC001597974638 1017222114 /nfs/dbraw/zinc/22/21/14/1017222114.db2.gz XEIWSWFKOIGXDL-UHFFFAOYSA-N -1 0 300.315 -0.166 20 0 DBADRM CCn1nncc1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001597974709 1017222742 /nfs/dbraw/zinc/22/27/42/1017222742.db2.gz ZZFSXLOYNVZRGR-MRVPVSSYSA-N -1 0 316.339 -0.988 20 0 DBADRM CN(C(=O)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597981689 1017223943 /nfs/dbraw/zinc/22/39/43/1017223943.db2.gz FTEPFJXDKXVHOI-NTZHIAQWSA-N -1 0 322.361 -0.152 20 0 DBADRM CN(C(=O)C(=O)NCCO[C@H]1CCOC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597984597 1017223964 /nfs/dbraw/zinc/22/39/64/1017223964.db2.gz SDQQRVMLPXPLBC-AXFHLTTASA-N -1 0 314.338 -0.770 20 0 DBADRM CN(C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)C1CC(O)C1 ZINC001597990840 1017224003 /nfs/dbraw/zinc/22/40/03/1017224003.db2.gz VUHFXWZETOZCQC-UHFFFAOYSA-N -1 0 324.337 -0.377 20 0 DBADRM CN(C(=O)C(=O)N1CCC(C)(CO)CC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597981965 1017224159 /nfs/dbraw/zinc/22/41/59/1017224159.db2.gz IIEGYYAEZQYHMW-PHIMTYICSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(C(=O)C(=O)NC1CCC(C(=O)[O-])CC1)[C@@H]1CCNC1=O ZINC001597982805 1017224330 /nfs/dbraw/zinc/22/43/30/1017224330.db2.gz ONJNUYXBMZORSX-UDNWOFFPSA-N -1 0 311.338 -0.907 20 0 DBADRM CN(C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)[C@H]1CCSC1 ZINC001597983197 1017224901 /nfs/dbraw/zinc/22/49/01/1017224901.db2.gz XBNVXNZZEWSFFM-KXUCPTDWSA-N -1 0 316.379 -0.756 20 0 DBADRM CN(C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@@H]1CCSC1 ZINC001597983640 1017224928 /nfs/dbraw/zinc/22/49/28/1017224928.db2.gz YOHAFPSSGXQYDZ-RKDXNWHRSA-N -1 0 302.352 -0.738 20 0 DBADRM CN(C(=O)C(=O)NCCN1CCCC1=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597984468 1017224999 /nfs/dbraw/zinc/22/49/99/1017224999.db2.gz RVCLASOODUSHEU-AOOOYVTPSA-N -1 0 311.338 -0.953 20 0 DBADRM CN(C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)[C@H]1CCSC1 ZINC001597983199 1017225018 /nfs/dbraw/zinc/22/50/18/1017225018.db2.gz XBNVXNZZEWSFFM-LPEHRKFASA-N -1 0 316.379 -0.756 20 0 DBADRM CN(C(=O)C(=O)N[C@H]1CCC[C@@H]1CCO)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597982867 1017225154 /nfs/dbraw/zinc/22/51/54/1017225154.db2.gz PLDSRSBWRWKJIG-WYUUTHIRSA-N -1 0 312.366 -0.025 20 0 DBADRM CN(C(=O)[C@H]([NH3+])CCC(=O)[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC001597991581 1017225369 /nfs/dbraw/zinc/22/53/69/1017225369.db2.gz QAJZOVFXYCQRPP-OUAUKWLOSA-N -1 0 320.411 -0.007 20 0 DBADRM CN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1CS(=O)(=O)C1 ZINC001598072043 1017231101 /nfs/dbraw/zinc/23/11/01/1017231101.db2.gz HJBUDPUXQQBTSS-VHSXEESVSA-N -1 0 305.352 -0.346 20 0 DBADRM CN(C(=O)Nc1nc2n(c1C(=O)[O-])CCC2)[C@@H]1CCNC1=O ZINC001598063002 1017231281 /nfs/dbraw/zinc/23/12/81/1017231281.db2.gz ADMXKYPLMKMVSQ-SSDOTTSWSA-N -1 0 307.310 -0.120 20 0 DBADRM CN(CCCNC(=O)C(C)(C)C(N)=O)c1ncc(C(=O)[O-])cn1 ZINC001598479127 1017274047 /nfs/dbraw/zinc/27/40/47/1017274047.db2.gz SHNYAVAETUSIEI-UHFFFAOYSA-N -1 0 323.353 -0.371 20 0 DBADRM CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)CC(=O)[O-] ZINC001598499469 1017292159 /nfs/dbraw/zinc/29/21/59/1017292159.db2.gz NJKOJYDGQZBECK-UHFFFAOYSA-N -1 0 316.335 -0.354 20 0 DBADRM CN(CCOCCNC(=O)C(F)F)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598498088 1017292642 /nfs/dbraw/zinc/29/26/42/1017292642.db2.gz QCTGRTLSLZUSAV-YUMQZZPRSA-N -1 0 308.281 -0.437 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)C[C@@H](O)CC(C)(C)C)CC1=O ZINC001598561356 1017302583 /nfs/dbraw/zinc/30/25/83/1017302583.db2.gz DNWVXNREICIYEO-NXEZZACHSA-N -1 0 300.355 -0.073 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cnn3ccccc23)CC1=O ZINC001598562559 1017304739 /nfs/dbraw/zinc/30/47/39/1017304739.db2.gz BELCDYYYCXQDKI-NSHDSACASA-N -1 0 302.290 -0.298 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccnn2C2CCC2)CC1=O ZINC001598562007 1017305077 /nfs/dbraw/zinc/30/50/77/1017305077.db2.gz GGYDTVZYCFFZDE-LLVKDONJSA-N -1 0 306.322 -0.025 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@H]2COc3ccccc3O2)CC1=O ZINC001598563090 1017305297 /nfs/dbraw/zinc/30/52/97/1017305297.db2.gz NVMWVTOGUQHDPI-BXKDBHETSA-N -1 0 320.301 -0.420 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1=O ZINC001598562382 1017306060 /nfs/dbraw/zinc/30/60/60/1017306060.db2.gz KEZQGEVCGAGBLR-LDYMZIIASA-N -1 0 306.322 -0.732 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)C(=O)Nc2ccc(F)cc2)CC1=O ZINC001598563759 1017307098 /nfs/dbraw/zinc/30/70/98/1017307098.db2.gz UEXMZCKSUBMGSJ-SNVBAGLBSA-N -1 0 323.280 -0.482 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3n[nH]nc3c2)CC1=O ZINC001598563970 1017307178 /nfs/dbraw/zinc/30/71/78/1017307178.db2.gz XFACUUGATFXYRE-JTQLQIEISA-N -1 0 303.278 -0.675 20 0 DBADRM Cn1cnc2ccc(C(=O)N3CC(=O)N(C)C[C@@H]3C(=O)[O-])nc21 ZINC001598563942 1017307304 /nfs/dbraw/zinc/30/73/04/1017307304.db2.gz WYOOIOOPFRURPD-SNVBAGLBSA-N -1 0 317.305 -0.664 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C[C@@H](O)CCC2(O)CCC2)CC1=O ZINC001598564109 1017307634 /nfs/dbraw/zinc/30/76/34/1017307634.db2.gz QDMGAYAZAVGVGS-QWRGUYRKSA-N -1 0 300.355 -0.730 20 0 DBADRM CN1C[C@H](O)C[C@H]1c1nnc(N2CC[C@@](F)(C(=O)[O-])C2)n1C ZINC001598569873 1017312207 /nfs/dbraw/zinc/31/22/07/1017312207.db2.gz OCAKKULYGZPMFO-ZDMBXUJBSA-N -1 0 313.333 -0.444 20 0 DBADRM CN1CC[C@H]1CNC(=O)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001598589388 1017323689 /nfs/dbraw/zinc/32/36/89/1017323689.db2.gz ZWDMIFUIUNKIQA-ZDUSSCGKSA-N -1 0 319.361 -0.136 20 0 DBADRM CN1CCC[C@H](N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)C1=O ZINC001598596657 1017326272 /nfs/dbraw/zinc/32/62/72/1017326272.db2.gz POWMHZMILVAANA-SWLSCSKDSA-N -1 0 311.382 -0.532 20 0 DBADRM Cn1ccc([C@@H](NC(=O)[C@@H]2CCCCN(C)C2=O)C(=O)[O-])n1 ZINC001598597447 1017326444 /nfs/dbraw/zinc/32/64/44/1017326444.db2.gz CVVKUMHMXUMOMX-GXSJLCMTSA-N -1 0 308.338 -0.080 20 0 DBADRM CN1CCC[C@@H](NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1=O ZINC001598595339 1017329322 /nfs/dbraw/zinc/32/93/22/1017329322.db2.gz AHNWOXFFCAFYQV-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1CCCC[C@@H](C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])C1=O ZINC001598599326 1017329335 /nfs/dbraw/zinc/32/93/35/1017329335.db2.gz RXZMVTKKLJHOOX-QWRGUYRKSA-N -1 0 308.338 -0.289 20 0 DBADRM CN1CCC[C@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001598602468 1017330248 /nfs/dbraw/zinc/33/02/48/1017330248.db2.gz FDNNCXFMXMQSAI-HOTUBEGUSA-N -1 0 304.368 -0.915 20 0 DBADRM CN1CCN(C(=O)CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1 ZINC001598604284 1017330952 /nfs/dbraw/zinc/33/09/52/1017330952.db2.gz FTQDJOLVSYTCBV-UHFFFAOYSA-N -1 0 323.393 -0.088 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@@H](C(=O)[O-])C1 ZINC001598605364 1017332338 /nfs/dbraw/zinc/33/23/38/1017332338.db2.gz HTKCNJHZOHMNQU-MNOVXSKESA-N -1 0 318.395 -0.714 20 0 DBADRM CN1CCN(C(=O)CS(=O)(=O)C2CC2)C[C@H](C(=O)[O-])C1 ZINC001598607572 1017335493 /nfs/dbraw/zinc/33/54/93/1017335493.db2.gz QLWXLLZJIWFTGJ-SECBINFHSA-N -1 0 304.368 -0.962 20 0 DBADRM CN1CCN(C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)CC1=O ZINC001598608347 1017335818 /nfs/dbraw/zinc/33/58/18/1017335818.db2.gz XJFPHGGIGRFHTF-VIFPVBQESA-N -1 0 321.337 -0.100 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H](C(=O)[O-])C1 ZINC001598606581 1017336605 /nfs/dbraw/zinc/33/66/05/1017336605.db2.gz YOQCAMGUBCDXNJ-ZJUUUORDSA-N -1 0 304.368 -0.962 20 0 DBADRM CN1CCN(C(=O)c2cc3n(n2)CCCC3=O)C[C@@H](C(=O)[O-])C1 ZINC001598611198 1017344259 /nfs/dbraw/zinc/34/42/59/1017344259.db2.gz PCFHQHILHWABNZ-JTQLQIEISA-N -1 0 320.349 -0.052 20 0 DBADRM CN1CCN(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCCOC2)CC1 ZINC001598621370 1017351150 /nfs/dbraw/zinc/35/11/50/1017351150.db2.gz OZMYJFQUCXFPFK-GFCCVEGCSA-N -1 0 321.399 -0.908 20 0 DBADRM CN1CCN(S(=O)(=O)c2csnc2C(=O)[O-])[C@H](CO)C1 ZINC001598620375 1017352218 /nfs/dbraw/zinc/35/22/18/1017352218.db2.gz ZRWVPIWHTGRESM-ZETCQYMHSA-N -1 0 321.380 -0.862 20 0 DBADRM O=C(NCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1)C1CCC1 ZINC001497363510 1017352941 /nfs/dbraw/zinc/35/29/41/1017352941.db2.gz VKGBGIZQXGTXPT-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM CN1CCN(S(=O)(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC001598621185 1017353154 /nfs/dbraw/zinc/35/31/54/1017353154.db2.gz LJNOVUIWUZDGSR-QWRGUYRKSA-N -1 0 321.399 -0.910 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C)C(=O)C1 ZINC001598620857 1017353348 /nfs/dbraw/zinc/35/33/48/1017353348.db2.gz CTXIIPAQMSOPFV-UHFFFAOYSA-N -1 0 301.324 -0.814 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1COCCN1C ZINC001598625536 1017354471 /nfs/dbraw/zinc/35/44/71/1017354471.db2.gz OGUJTUFIQXUOJO-JTQLQIEISA-N -1 0 317.367 -0.668 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)C1=O ZINC001598623844 1017354846 /nfs/dbraw/zinc/35/48/46/1017354846.db2.gz BAZXDRSPNFLVEQ-IUODEOHRSA-N -1 0 321.333 -0.255 20 0 DBADRM CN1CCO[C@@H](C(=O)N2CCc3ccc(C(=O)[O-])nc3C2)C1=O ZINC001598624180 1017355675 /nfs/dbraw/zinc/35/56/75/1017355675.db2.gz DTWMZUKNGZPCTA-GFCCVEGCSA-N -1 0 319.317 -0.478 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001598624437 1017355828 /nfs/dbraw/zinc/35/58/28/1017355828.db2.gz XINXKHGSQZIJGE-BLFANLJRSA-N -1 0 318.395 -0.510 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001598623701 1017356642 /nfs/dbraw/zinc/35/66/42/1017356642.db2.gz ODNAPKAUEXXXME-LLVKDONJSA-N -1 0 310.354 -0.192 20 0 DBADRM CN1CCO[C@@H](C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC001598623858 1017356676 /nfs/dbraw/zinc/35/66/76/1017356676.db2.gz BEDNOWRGGFTYHC-NEPJUHHUSA-N -1 0 306.318 -0.172 20 0 DBADRM CN1N=C(C(=O)N[C@H](CC2CCOCC2)C(=O)[O-])CCC1=O ZINC001598631642 1017357509 /nfs/dbraw/zinc/35/75/09/1017357509.db2.gz RCYVSAZVNYSECT-LLVKDONJSA-N -1 0 311.338 -0.019 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598630165 1017357703 /nfs/dbraw/zinc/35/77/03/1017357703.db2.gz JORIESLQVJLYMS-QMMMGPOBSA-N -1 0 322.321 -0.441 20 0 DBADRM CN1CCn2nc(NC(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)cc2C1 ZINC001598628010 1017358259 /nfs/dbraw/zinc/35/82/59/1017358259.db2.gz JGSGCIRPRAIBEJ-ONGXEEELSA-N -1 0 323.353 -0.372 20 0 DBADRM CN1C[C@H]2CC[C@@H](CC1=O)N2S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598629173 1017358384 /nfs/dbraw/zinc/35/83/84/1017358384.db2.gz SNTJWXFISVFWNF-VHSXEESVSA-N -1 0 316.379 -0.124 20 0 DBADRM CN1CCn2nc(NC(=O)N3CC[C@@](O)(C(=O)[O-])C3)cc2C1 ZINC001598627801 1017358530 /nfs/dbraw/zinc/35/85/30/1017358530.db2.gz FULDPFHZWLMCLY-ZDUSSCGKSA-N -1 0 309.326 -0.618 20 0 DBADRM CN1CN(C(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1=O ZINC001598627810 1017358812 /nfs/dbraw/zinc/35/88/12/1017358812.db2.gz FYTRLJFGMUDNOT-UHFFFAOYSA-N -1 0 319.317 -0.100 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)C(=O)NCCCCC(=O)[O-] ZINC001598630064 1017359246 /nfs/dbraw/zinc/35/92/46/1017359246.db2.gz HVHRTJNDLLSCON-UHFFFAOYSA-N -1 0 301.343 -0.754 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598630032 1017359529 /nfs/dbraw/zinc/35/95/29/1017359529.db2.gz GVUGBYZTNTVNDN-VHSXEESVSA-N -1 0 313.354 -0.850 20 0 DBADRM CN1CCO[C@@H](C(=O)NCCOc2ccc(C(=O)[O-])cc2)C1=O ZINC001598626103 1017359765 /nfs/dbraw/zinc/35/97/65/1017359765.db2.gz SPUBKLWCUGRDPK-LBPRGKRZSA-N -1 0 322.317 -0.263 20 0 DBADRM CN1CCO[C@H](C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001598626152 1017360025 /nfs/dbraw/zinc/36/00/25/1017360025.db2.gz SUCFCXFAIGSDLY-JQWIXIFHSA-N -1 0 323.353 -0.530 20 0 DBADRM CNC(=O)C1(NS(=O)(=O)CC2(C(=O)[O-])CC2)CCOCC1 ZINC001598635595 1017361122 /nfs/dbraw/zinc/36/11/22/1017361122.db2.gz IVRNJZWAXXBQHY-UHFFFAOYSA-N -1 0 320.367 -0.934 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001598635786 1017361291 /nfs/dbraw/zinc/36/12/91/1017361291.db2.gz ORAJGZVCCDJHIL-LBPRGKRZSA-N -1 0 306.384 -0.115 20 0 DBADRM CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001598634888 1017362373 /nfs/dbraw/zinc/36/23/73/1017362373.db2.gz YZTZFBPHOFJOGW-JTQLQIEISA-N -1 0 316.335 -0.922 20 0 DBADRM CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC001598638439 1017363092 /nfs/dbraw/zinc/36/30/92/1017363092.db2.gz CVWGGJRBRISERW-UHFFFAOYSA-N -1 0 319.317 -0.543 20 0 DBADRM CNC(=O)CCCC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001598640570 1017363811 /nfs/dbraw/zinc/36/38/11/1017363811.db2.gz JWFQZBXDMXFKHV-IUCAKERBSA-N -1 0 300.311 -0.765 20 0 DBADRM CNC(=O)[C@H]1CN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])CCO1 ZINC001598638002 1017364563 /nfs/dbraw/zinc/36/45/63/1017364563.db2.gz SPJPMQREGLLOPB-GHMZBOCLSA-N -1 0 315.370 -0.951 20 0 DBADRM CNC(=O)[C@H]1CCCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001598639288 1017364668 /nfs/dbraw/zinc/36/46/68/1017364668.db2.gz OGWABIMIIUUVKQ-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CNC(=O)CN(CCOc1ccccc1C(=O)[O-])CC(=O)NC ZINC001598641418 1017364845 /nfs/dbraw/zinc/36/48/45/1017364845.db2.gz GFZMIFHBZJUSQB-UHFFFAOYSA-N -1 0 323.349 -0.442 20 0 DBADRM CNC(=O)CN1CC=C(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001598642911 1017365852 /nfs/dbraw/zinc/36/58/52/1017365852.db2.gz MOXOHAQSDJPGAU-VXGBXAGGSA-N -1 0 309.366 -0.409 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001598642902 1017365929 /nfs/dbraw/zinc/36/59/29/1017365929.db2.gz VDILEEWLTRNGIT-UHFFFAOYSA-N -1 0 310.310 -0.696 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001598642525 1017366013 /nfs/dbraw/zinc/36/60/13/1017366013.db2.gz LLWIZPSFDFIQQP-UHFFFAOYSA-N -1 0 321.333 -0.153 20 0 DBADRM CNC(=O)COc1cccc(CC(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001598646882 1017366281 /nfs/dbraw/zinc/36/62/81/1017366281.db2.gz SCBJGAUFNAWRGR-UHFFFAOYSA-N -1 0 322.317 -0.988 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC001598643029 1017366397 /nfs/dbraw/zinc/36/63/97/1017366397.db2.gz NPNFHTYBJUFDDE-UHFFFAOYSA-N -1 0 320.349 -0.280 20 0 DBADRM CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CC(=O)N1 ZINC001598645090 1017366668 /nfs/dbraw/zinc/36/66/68/1017366668.db2.gz DGLYMXBCJRKEKL-SECBINFHSA-N -1 0 321.289 -0.663 20 0 DBADRM CNC(=O)CCCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001598641997 1017366754 /nfs/dbraw/zinc/36/67/54/1017366754.db2.gz GYHMYDLGRMQAQR-IINYFYTJSA-N -1 0 313.354 -0.355 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC001598642917 1017366799 /nfs/dbraw/zinc/36/67/99/1017366799.db2.gz MSTZONBQVMJQMQ-UHFFFAOYSA-N -1 0 306.322 -0.716 20 0 DBADRM CNC(=O)CN(CC(=O)NC)Cc1ccc(C(=O)[O-])c(F)c1 ZINC001598641873 1017366858 /nfs/dbraw/zinc/36/68/58/1017366858.db2.gz KPBBRBMSFTWSCE-UHFFFAOYSA-N -1 0 311.313 -0.182 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001598643880 1017367637 /nfs/dbraw/zinc/36/76/37/1017367637.db2.gz ZBKBUDDNBVYGGZ-UHFFFAOYSA-N -1 0 316.335 -0.192 20 0 DBADRM CNC(=O)NCC(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001598650748 1017368210 /nfs/dbraw/zinc/36/82/10/1017368210.db2.gz FBNOGELLPLEGMX-LBPRGKRZSA-N -1 0 307.306 -0.038 20 0 DBADRM CNC(=O)NCC(=O)NC[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001598650756 1017368357 /nfs/dbraw/zinc/36/83/57/1017368357.db2.gz FFPDRRBVTUYHJZ-MRVPVSSYSA-N -1 0 324.341 -0.732 20 0 DBADRM CNC(=O)NC[C@@H]1CN([C@@H](C(=O)[O-])C2(OC)CCC2)CCO1 ZINC001598652361 1017368364 /nfs/dbraw/zinc/36/83/64/1017368364.db2.gz RDIBBZWZYOZIKH-MNOVXSKESA-N -1 0 315.370 -0.362 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)CCc2ocnc2C(=O)[O-])cn1 ZINC001598648450 1017369056 /nfs/dbraw/zinc/36/90/56/1017369056.db2.gz JRIGXEWWRZXJDE-UHFFFAOYSA-N -1 0 321.293 -0.113 20 0 DBADRM CNC(=O)NCC(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC001598650421 1017369143 /nfs/dbraw/zinc/36/91/43/1017369143.db2.gz AXJCEVQXLBWBDM-JTQLQIEISA-N -1 0 309.322 -0.319 20 0 DBADRM CNC(=O)N[C@@H]1CCCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001598652156 1017369575 /nfs/dbraw/zinc/36/95/75/1017369575.db2.gz HLAHWSFOXFQSSX-BBBLOLIVSA-N -1 0 319.383 -0.427 20 0 DBADRM CNC(=O)NCCNS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001598650319 1017370022 /nfs/dbraw/zinc/37/00/22/1017370022.db2.gz FVTIKXRYQJDEQC-UHFFFAOYSA-N -1 0 315.351 -0.099 20 0 DBADRM CNC(=O)NCC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001598652058 1017370035 /nfs/dbraw/zinc/37/00/35/1017370035.db2.gz OIQXVXSVCWYFQG-UHFFFAOYSA-N -1 0 308.294 -0.632 20 0 DBADRM CNC(=O)NCCC(=O)OCc1noc(CCC(=O)[O-])n1 ZINC001598653837 1017371049 /nfs/dbraw/zinc/37/10/49/1017371049.db2.gz UAUDHKIRAUEJHZ-UHFFFAOYSA-N -1 0 300.271 -0.551 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001598654381 1017371465 /nfs/dbraw/zinc/37/14/65/1017371465.db2.gz MSSPRMFQWWKGFF-SSDOTTSWSA-N -1 0 323.305 -0.417 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)CCSCC(=O)[O-] ZINC001598653438 1017372018 /nfs/dbraw/zinc/37/20/18/1017372018.db2.gz NJXOAFBNUBXLPJ-VIFPVBQESA-N -1 0 319.383 -0.649 20 0 DBADRM CNC(=O)NCCC(=O)OCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598653045 1017372035 /nfs/dbraw/zinc/37/20/35/1017372035.db2.gz JEAXUEZAKNTWLF-UHFFFAOYSA-N -1 0 324.293 -0.419 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001598653804 1017372137 /nfs/dbraw/zinc/37/21/37/1017372137.db2.gz SDWPEZATCBYUMC-QMMMGPOBSA-N -1 0 310.310 -0.517 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1 ZINC001598659735 1017374421 /nfs/dbraw/zinc/37/44/21/1017374421.db2.gz SPSZMNXZVASCNA-LLVKDONJSA-N -1 0 319.317 -0.586 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001598661913 1017375211 /nfs/dbraw/zinc/37/52/11/1017375211.db2.gz OTMVZCWBTKQWTP-NKWVEPMBSA-N -1 0 310.314 -0.261 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001598669545 1017379439 /nfs/dbraw/zinc/37/94/39/1017379439.db2.gz NNRZOAHVUUOKJW-AEJSXWLSSA-N -1 0 320.367 -0.841 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])on1 ZINC001598670715 1017380065 /nfs/dbraw/zinc/38/00/65/1017380065.db2.gz GOBFYQDBFTYRKR-SSDOTTSWSA-N -1 0 317.323 -0.473 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(Cc2ncc(C(=O)[O-])s2)C1 ZINC001598669097 1017380708 /nfs/dbraw/zinc/38/07/08/1017380708.db2.gz IOBSJYJGIBKZKG-SSDOTTSWSA-N -1 0 305.381 -0.035 20 0 DBADRM CNS(=O)(=O)NCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001598670522 1017381045 /nfs/dbraw/zinc/38/10/45/1017381045.db2.gz DMVYUQZRJRQVCS-UTLUCORTSA-N -1 0 319.383 -0.858 20 0 DBADRM CNS(=O)(=O)N1CCN(Cc2cc(C(=O)[O-])oc2C)CC1 ZINC001598671702 1017382854 /nfs/dbraw/zinc/38/28/54/1017382854.db2.gz ONQZGYQDMKASGL-UHFFFAOYSA-N -1 0 317.367 -0.132 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N[C@@H](C)/C=C\C(=O)[O-])CC1 ZINC001598671033 1017382958 /nfs/dbraw/zinc/38/29/58/1017382958.db2.gz ICIBBCKAHSTTBS-TYRPZCRBSA-N -1 0 319.383 -0.692 20 0 DBADRM CNS(=O)(=O)N1CCN([C@@H](C)c2nc(C(=O)[O-])co2)CC1 ZINC001598672275 1017383040 /nfs/dbraw/zinc/38/30/40/1017383040.db2.gz VSPMCBHZNDBQGS-QMMMGPOBSA-N -1 0 318.355 -0.484 20 0 DBADRM CNS(=O)(=O)CCN(CCC(=O)[O-])CC(=O)OC(C)(C)C ZINC001598671769 1017383091 /nfs/dbraw/zinc/38/30/91/1017383091.db2.gz JGQNXUDHKSEQNP-UHFFFAOYSA-N -1 0 324.399 -0.346 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001598670924 1017383131 /nfs/dbraw/zinc/38/31/31/1017383131.db2.gz LPWRAJQBEUNMSR-UHFFFAOYSA-N -1 0 315.351 -0.622 20 0 DBADRM CNS(=O)(=O)NC1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC001598671866 1017383233 /nfs/dbraw/zinc/38/32/33/1017383233.db2.gz UZWFWYAHOAPFGE-UHFFFAOYSA-N -1 0 317.367 -0.004 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC001598677107 1017385198 /nfs/dbraw/zinc/38/51/98/1017385198.db2.gz UIGWNNDXKMYNPP-JTQLQIEISA-N -1 0 316.335 -0.840 20 0 DBADRM CNS(=O)(=O)c1ccc(N2CC[C@](O)(C(=O)[O-])C2)c(F)c1 ZINC001598675405 1017385226 /nfs/dbraw/zinc/38/52/26/1017385226.db2.gz UDZVYEZENMTAOB-GFCCVEGCSA-N -1 0 318.326 -0.240 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NCCSCC(=O)[O-])co1 ZINC001598673630 1017385297 /nfs/dbraw/zinc/38/52/97/1017385297.db2.gz WGMMUMNLIYZXKK-UHFFFAOYSA-N -1 0 322.364 -0.265 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)N[C@H](COC)C(=O)[O-])c1 ZINC001598676295 1017385510 /nfs/dbraw/zinc/38/55/10/1017385510.db2.gz DRDWRAQDCWCXIH-SNVBAGLBSA-N -1 0 316.335 -0.576 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCOC)C(=O)[O-])o1 ZINC001598674392 1017385969 /nfs/dbraw/zinc/38/59/69/1017385969.db2.gz GUVMGKLOGGRGLO-ZETCQYMHSA-N -1 0 320.323 -0.593 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])co1 ZINC001598674636 1017385992 /nfs/dbraw/zinc/38/59/92/1017385992.db2.gz SUSUEOKRUNRDNF-IONNQARKSA-N -1 0 318.307 -0.840 20 0 DBADRM CNc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])nc1 ZINC001598678000 1017386448 /nfs/dbraw/zinc/38/64/48/1017386448.db2.gz LFPGEHFOLKEAEV-JTQLQIEISA-N -1 0 313.335 -0.553 20 0 DBADRM CNc1nc(C)cc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])n1 ZINC001598680875 1017386697 /nfs/dbraw/zinc/38/66/97/1017386697.db2.gz CTYBKTYQBRUKAV-SECBINFHSA-N -1 0 310.310 -0.227 20 0 DBADRM COC(=O)[C@@](C)(CO)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001598688113 1017387330 /nfs/dbraw/zinc/38/73/30/1017387330.db2.gz RBNMIHBGRNFPMD-CQSZACIVSA-N -1 0 311.290 -0.196 20 0 DBADRM CNc1nnc(CC(=O)N2CCOC[C@H]2CC(=O)[O-])s1 ZINC001598682682 1017388636 /nfs/dbraw/zinc/38/86/36/1017388636.db2.gz QMPULPZOBBEQQT-SSDOTTSWSA-N -1 0 300.340 -0.176 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001598689493 1017389080 /nfs/dbraw/zinc/38/90/80/1017389080.db2.gz ZDLRYIORJGAVIH-KCJUWKMLSA-N -1 0 309.340 -0.794 20 0 DBADRM COC(=O)C(C)(C)C(=O)COC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001598684819 1017389095 /nfs/dbraw/zinc/38/90/95/1017389095.db2.gz OVDBXRMGPFIBHH-UHFFFAOYSA-N -1 0 313.266 -0.712 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC[C@H](C)C1 ZINC001598694578 1017391349 /nfs/dbraw/zinc/39/13/49/1017391349.db2.gz KQVWUFISDMXWCW-DTWKUNHWSA-N -1 0 308.356 -0.431 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)c1ccccc1C ZINC001598692191 1017390240 /nfs/dbraw/zinc/39/02/40/1017390240.db2.gz CSQDTKZBHMOKII-LLVKDONJSA-N -1 0 322.317 -0.143 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H]1CCCc2nn(C)cc21 ZINC001598694742 1017390372 /nfs/dbraw/zinc/39/03/72/1017390372.db2.gz ODMFQZGHFSBSBU-KWQFWETISA-N -1 0 309.322 -0.028 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)Cc1[nH]nc2c1CCCC2 ZINC001598692592 1017391004 /nfs/dbraw/zinc/39/10/04/1017391004.db2.gz GXSVCKKPWMKESI-LLVKDONJSA-N -1 0 309.322 -0.037 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cncc(-n2ccnn2)c1 ZINC001598694222 1017391086 /nfs/dbraw/zinc/39/10/86/1017391086.db2.gz JKOIUIKHIIYIOX-SNVBAGLBSA-N -1 0 319.277 -0.592 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)C1CCN(C(=O)OC)CC1 ZINC001598692287 1017391197 /nfs/dbraw/zinc/39/11/97/1017391197.db2.gz BUINWSSYIYJSOQ-VIFPVBQESA-N -1 0 316.310 -0.403 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1COc2ccccc2O1 ZINC001598692310 1017391621 /nfs/dbraw/zinc/39/16/21/1017391621.db2.gz CFTLGWTXBIDOMU-KWQFWETISA-N -1 0 309.274 -0.041 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)C[C@@H]1CCC1(F)F ZINC001598695451 1017392787 /nfs/dbraw/zinc/39/27/87/1017392787.db2.gz VEDSJZZVRPLFEE-NKWVEPMBSA-N -1 0 315.294 -0.033 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001598699771 1017392882 /nfs/dbraw/zinc/39/28/82/1017392882.db2.gz ZQLQZJUJNNBZCE-SNVBAGLBSA-N -1 0 324.289 -0.186 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001598697223 1017392897 /nfs/dbraw/zinc/39/28/97/1017392897.db2.gz FKMQSGIWJZDORY-DCAQKATOSA-N -1 0 319.379 -0.241 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)C[C@H]1CCC1(F)F ZINC001598695452 1017393279 /nfs/dbraw/zinc/39/32/79/1017393279.db2.gz VEDSJZZVRPLFEE-RNFRBKRXSA-N -1 0 315.294 -0.033 20 0 DBADRM COC(=O)[C@@H](CCF)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598698301 1017393486 /nfs/dbraw/zinc/39/34/86/1017393486.db2.gz KGWRZCZYHCBDSY-SECBINFHSA-N -1 0 320.298 -0.041 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)/C=C\c1cnc(OC)nc1 ZINC001598695821 1017393499 /nfs/dbraw/zinc/39/34/99/1017393499.db2.gz YONSGWJJPSKVLK-ZBJFTSOASA-N -1 0 309.278 -0.369 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)/C=C/c1cnc(OC)nc1 ZINC001598695819 1017393543 /nfs/dbraw/zinc/39/35/43/1017393543.db2.gz YONSGWJJPSKVLK-NWALNABHSA-N -1 0 309.278 -0.369 20 0 DBADRM COC(=O)[C@H](CCF)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598698302 1017394153 /nfs/dbraw/zinc/39/41/53/1017394153.db2.gz KGWRZCZYHCBDSY-VIFPVBQESA-N -1 0 320.298 -0.041 20 0 DBADRM COC(=O)[C@H](CC1CCOCC1)NC(=O)COCC(=O)[O-] ZINC001598697142 1017394192 /nfs/dbraw/zinc/39/41/92/1017394192.db2.gz MSGZZNSIDGLSOP-JTQLQIEISA-N -1 0 303.311 -0.438 20 0 DBADRM COC(=O)[C@H](CC(F)F)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001598696373 1017394406 /nfs/dbraw/zinc/39/44/06/1017394406.db2.gz BUZOKDDGAAMZGX-ZETCQYMHSA-N -1 0 305.237 -0.106 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1cc(C(=O)[O-])on1)c1ccnn1C ZINC001598706711 1017395204 /nfs/dbraw/zinc/39/52/04/1017395204.db2.gz YBGBCZRMHVCTTG-VIFPVBQESA-N -1 0 308.250 -0.250 20 0 DBADRM COC(=O)[C@@H](OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C1CC1 ZINC001598711505 1017395917 /nfs/dbraw/zinc/39/59/17/1017395917.db2.gz HXTUMVYPPRJIGN-KOLCDFICSA-N -1 0 313.306 -0.196 20 0 DBADRM COC(=O)C(F)(F)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001598702264 1017395984 /nfs/dbraw/zinc/39/59/84/1017395984.db2.gz NDQNZLNDTROKPK-UHFFFAOYSA-N -1 0 324.261 -0.134 20 0 DBADRM COC(=O)[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)c1ccnn1C ZINC001598703055 1017396303 /nfs/dbraw/zinc/39/63/03/1017396303.db2.gz SHHRYKHDPIQXTH-KXUCPTDWSA-N -1 0 311.294 -0.617 20 0 DBADRM COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001598709938 1017396648 /nfs/dbraw/zinc/39/66/48/1017396648.db2.gz BOJYNMWRNNVBJW-ZETCQYMHSA-N -1 0 311.356 -0.671 20 0 DBADRM COC(=O)[C@]1(CNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CCOC1 ZINC001598720544 1017398944 /nfs/dbraw/zinc/39/89/44/1017398944.db2.gz RBOUFXGDZKAIFK-ZSJJWGNYSA-N -1 0 315.322 -0.440 20 0 DBADRM COC(=O)[C@@]1(C)C[C@@H](OC)CN1CCC(=O)N(C)CC(=O)[O-] ZINC001598719373 1017399676 /nfs/dbraw/zinc/39/96/76/1017399676.db2.gz XYQIUFSZQUXMBF-QMTHXVAHSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)C1(NC(=O)[C@H]2CCC(=O)N2)CCC(C(=O)[O-])CC1 ZINC001598724994 1017399878 /nfs/dbraw/zinc/39/98/78/1017399878.db2.gz ZBETZZAUQVEDLI-ZYTOWTHASA-N -1 0 312.322 -0.432 20 0 DBADRM COC(=O)C1(O)CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC001598724427 1017399889 /nfs/dbraw/zinc/39/98/89/1017399889.db2.gz NATLTZMWGNGUIH-NSHDSACASA-N -1 0 316.354 -0.788 20 0 DBADRM COC(=O)C1(NC(=O)c2cnnn2C)CCC(C(=O)[O-])CC1 ZINC001598726244 1017401451 /nfs/dbraw/zinc/40/14/51/1017401451.db2.gz YWMSLOYMIFFGNK-UHFFFAOYSA-N -1 0 310.310 -0.269 20 0 DBADRM COC(=O)[C@]1(CNS(=O)(=O)CCCC(=O)[O-])CCOC1 ZINC001598726575 1017401535 /nfs/dbraw/zinc/40/15/35/1017401535.db2.gz FSIBOBQFKICRSR-NSHDSACASA-N -1 0 309.340 -0.650 20 0 DBADRM COC(=O)[C@@]1(OC)CCN(C(=O)NC/C=C(/C)C(=O)[O-])C1 ZINC001598726423 1017401778 /nfs/dbraw/zinc/40/17/78/1017401778.db2.gz SZWVCMWTLXMQIV-VVOKDJNJSA-N -1 0 300.311 -0.009 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cccc[n+]1[O-] ZINC001598749334 1017405146 /nfs/dbraw/zinc/40/51/46/1017405146.db2.gz DZUHQCMCKZAUKM-KOLCDFICSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cc(OC)ncn1 ZINC001598751070 1017405420 /nfs/dbraw/zinc/40/54/20/1017405420.db2.gz LNLPWNYZUUERRS-WCBMZHEXSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cccc[n+]1[O-] ZINC001598749335 1017405437 /nfs/dbraw/zinc/40/54/37/1017405437.db2.gz DZUHQCMCKZAUKM-MWLCHTKSSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cnn(C)c1N ZINC001598750040 1017405485 /nfs/dbraw/zinc/40/54/85/1017405485.db2.gz HWJYJDIFRCZUBK-VXNVDRBHSA-N -1 0 310.310 -0.519 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CCCS(C)(=O)=O ZINC001598749246 1017405645 /nfs/dbraw/zinc/40/56/45/1017405645.db2.gz FZCBVIATEIWJTJ-UWVGGRQHSA-N -1 0 307.368 -0.241 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCCCC(N)=O ZINC001598748113 1017405654 /nfs/dbraw/zinc/40/56/54/1017405654.db2.gz DPKIKXZUXNAXHF-VHSXEESVSA-N -1 0 314.338 -0.103 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(CO)on1 ZINC001598745330 1017405784 /nfs/dbraw/zinc/40/57/84/1017405784.db2.gz LLRDOQPPECJTDJ-GMSGAONNSA-N -1 0 312.278 -0.355 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001598754603 1017406897 /nfs/dbraw/zinc/40/68/97/1017406897.db2.gz FQRJGRNNXUSBGF-RGOKHQFPSA-N -1 0 301.295 -0.999 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cn(C)ccc1=O ZINC001598754321 1017408019 /nfs/dbraw/zinc/40/80/19/1017408019.db2.gz SEBTZIZRHQZKAC-ONGXEEELSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001598754602 1017408093 /nfs/dbraw/zinc/40/80/93/1017408093.db2.gz FQRJGRNNXUSBGF-QEYWKRMJSA-N -1 0 301.295 -0.999 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1CCOC(=O)N1 ZINC001598760714 1017408162 /nfs/dbraw/zinc/40/81/62/1017408162.db2.gz AXLSOOPUGAYUST-YIZRAAEISA-N -1 0 314.294 -0.650 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN1Cc1noc(CCCC(=O)[O-])n1 ZINC001598757984 1017408250 /nfs/dbraw/zinc/40/82/50/1017408250.db2.gz RJQHBPJZBIGNIS-DTWKUNHWSA-N -1 0 313.310 -0.415 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC(=O)CNC(C)=O)C[C@H](C(=O)[O-])C1 ZINC001598755803 1017408342 /nfs/dbraw/zinc/40/83/42/1017408342.db2.gz LJABQYPECQFKQG-KXUCPTDWSA-N -1 0 301.295 -0.292 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@@H]1CCOC(=O)N1 ZINC001598760713 1017408403 /nfs/dbraw/zinc/40/84/03/1017408403.db2.gz AXLSOOPUGAYUST-VGMNWLOBSA-N -1 0 314.294 -0.650 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C[C@H]1COC(=O)C1 ZINC001598763711 1017409600 /nfs/dbraw/zinc/40/96/00/1017409600.db2.gz VRCGWZBZPSMGMW-BBBLOLIVSA-N -1 0 313.306 -0.196 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1nonc1C ZINC001598764917 1017409694 /nfs/dbraw/zinc/40/96/94/1017409694.db2.gz FVKMIBYXIFEYIV-WPRPVWTQSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cn[nH]c(=O)c1 ZINC001598765317 1017409728 /nfs/dbraw/zinc/40/97/28/1017409728.db2.gz BBBHAXKVDVOZCW-VXNVDRBHSA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCS(C)(=O)=O ZINC001598764699 1017410415 /nfs/dbraw/zinc/41/04/15/1017410415.db2.gz DHUMOUVGEIZXQX-DTWKUNHWSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CSCC(N)=O ZINC001598771028 1017411886 /nfs/dbraw/zinc/41/18/86/1017411886.db2.gz XOLJWWJUJUMBIJ-YUMQZZPRSA-N -1 0 318.351 -0.930 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(OC)nn2)C1 ZINC001598772629 1017412027 /nfs/dbraw/zinc/41/20/27/1017412027.db2.gz MEUPYPSJAZTRPJ-SCZZXKLOSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001598768414 1017412105 /nfs/dbraw/zinc/41/21/05/1017412105.db2.gz AKZRUGHWNPEEOF-QEYWKRMJSA-N -1 0 313.306 -0.340 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2cncn2C)C1 ZINC001598772118 1017412553 /nfs/dbraw/zinc/41/25/53/1017412553.db2.gz FGABGMNNVUMTAN-MWLCHTKSSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CSCC(N)=O)C1 ZINC001598776462 1017414452 /nfs/dbraw/zinc/41/44/52/1017414452.db2.gz OPBSKROQGZHIEA-SFYZADRCSA-N -1 0 318.351 -0.930 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001598774086 1017414868 /nfs/dbraw/zinc/41/48/68/1017414868.db2.gz PPOAOOSERZPLBA-XVKPBYJWSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCCC(N)=O)C1 ZINC001598774802 1017414887 /nfs/dbraw/zinc/41/48/87/1017414887.db2.gz LHYNCUBGKSSEPA-RKDXNWHRSA-N -1 0 300.311 -0.493 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)C1COC1 ZINC001598776333 1017415031 /nfs/dbraw/zinc/41/50/31/1017415031.db2.gz KBUNYZYUWLGNEJ-IONNQARKSA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(CC(=O)N2CCOCC2)C1 ZINC001598782639 1017417177 /nfs/dbraw/zinc/41/71/77/1017417177.db2.gz ZPJDNDQCKWXLSI-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(CC(=O)Nc2ccon2)C1 ZINC001598780682 1017417834 /nfs/dbraw/zinc/41/78/34/1017417834.db2.gz UOPTYAQLUDMRBG-RKDXNWHRSA-N -1 0 311.294 -0.049 20 0 DBADRM COC(=O)[C@H]1CSCCN1S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001598826333 1017436468 /nfs/dbraw/zinc/43/64/68/1017436468.db2.gz SGZDXZDIOUJIAE-HTQZYQBOSA-N -1 0 311.381 -0.373 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCc2nnc[nH]2)[C@H](C(=O)[O-])C1 ZINC001598790680 1017418552 /nfs/dbraw/zinc/41/85/52/1017418552.db2.gz FUNGXMOWDRWOOC-BDAKNGLRSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCc2cn(C)nn2)[C@H](C(=O)[O-])C1 ZINC001598789618 1017418806 /nfs/dbraw/zinc/41/88/06/1017418806.db2.gz AOQVNDLYTHVLTC-KOLCDFICSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@H]1CCC[C@@H](C(=O)NCC(=O)NCC(=O)[O-])C1 ZINC001598790916 1017418827 /nfs/dbraw/zinc/41/88/27/1017418827.db2.gz MXQFCMQIZSXQSB-BDAKNGLRSA-N -1 0 300.311 -0.717 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cnn(C)c2N)[C@@H](C(=O)[O-])C1 ZINC001598793024 1017418894 /nfs/dbraw/zinc/41/88/94/1017418894.db2.gz GBMMLQNRAQIJTD-IONNQARKSA-N -1 0 310.310 -0.519 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](C)/C=C/C(=O)[O-])C1=O ZINC001598790153 1017419099 /nfs/dbraw/zinc/41/90/99/1017419099.db2.gz OPWVRJRBBWXXFJ-FQNVXPIYSA-N -1 0 312.322 -0.457 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)[C@@H](C(=O)[O-])C1 ZINC001598793013 1017419425 /nfs/dbraw/zinc/41/94/25/1017419425.db2.gz OFVGKQUJLGMGJY-GMTAPVOTSA-N -1 0 314.338 -0.818 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)C1 ZINC001598789664 1017419484 /nfs/dbraw/zinc/41/94/84/1017419484.db2.gz MRVOEZNXIURCHU-OPRDCNLKSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1CCC[C@H](C(=O)NCC(=O)NCC(=O)[O-])C1 ZINC001598790917 1017419513 /nfs/dbraw/zinc/41/95/13/1017419513.db2.gz MXQFCMQIZSXQSB-DTWKUNHWSA-N -1 0 300.311 -0.717 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1=O ZINC001598790160 1017419981 /nfs/dbraw/zinc/41/99/81/1017419981.db2.gz OSUNPKQTRDBJNI-OPRDCNLKSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)OC/C=C(\C)C(=O)[O-])C1=O ZINC001598788641 1017420045 /nfs/dbraw/zinc/42/00/45/1017420045.db2.gz GRQYQOJIKDUOGF-CYNRKNSPSA-N -1 0 313.306 -0.028 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N(C)[C@@H](C)C(=O)[O-])C1=O ZINC001598788477 1017420124 /nfs/dbraw/zinc/42/01/24/1017420124.db2.gz PQNYVZJBOABGHQ-IUCAKERBSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cc2cncn2C)[C@@H](C(=O)[O-])C1 ZINC001598793660 1017421069 /nfs/dbraw/zinc/42/10/69/1017421069.db2.gz LYUGFXLKCXSXFR-MWLCHTKSSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)[C@@H](C(=O)[O-])C1 ZINC001598798931 1017421198 /nfs/dbraw/zinc/42/11/98/1017421198.db2.gz RUTKIUURKLKSJH-IVZWLZJFSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)[C@@H]1C ZINC001598797626 1017421205 /nfs/dbraw/zinc/42/12/05/1017421205.db2.gz FSPIPUOPBGYVJI-RNFRBKRXSA-N -1 0 318.307 -0.055 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cc2cncn2C)[C@@H](C(=O)[O-])C1 ZINC001598793656 1017421529 /nfs/dbraw/zinc/42/15/29/1017421529.db2.gz LYUGFXLKCXSXFR-GXSJLCMTSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])C1 ZINC001598793598 1017421811 /nfs/dbraw/zinc/42/18/11/1017421811.db2.gz LMBAZSQSCHSRPS-AEJSXWLSSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CO[C@H]2CCOC2)[C@H](C(=O)[O-])C1 ZINC001598795440 1017421840 /nfs/dbraw/zinc/42/18/40/1017421840.db2.gz ZMARUGHNPWBWMB-VWYCJHECSA-N -1 0 315.322 -0.343 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)[C@H](C(=O)[O-])C1 ZINC001598798930 1017421989 /nfs/dbraw/zinc/42/19/89/1017421989.db2.gz RUTKIUURKLKSJH-AEJSXWLSSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001598800129 1017422012 /nfs/dbraw/zinc/42/20/12/1017422012.db2.gz RSCSCMBRFUJLKP-QMMMGPOBSA-N -1 0 312.319 -0.872 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C2CN(C(C)=O)C2)[C@@H](C(=O)[O-])C1 ZINC001598795813 1017422251 /nfs/dbraw/zinc/42/22/51/1017422251.db2.gz ZHNWTXMBTVBHIU-MWLCHTKSSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)[C@H](C(=O)[O-])C1 ZINC001598795814 1017422589 /nfs/dbraw/zinc/42/25/89/1017422589.db2.gz ZHNWTXMBTVBHIU-ONGXEEELSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@H]1CCN1S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001598802526 1017423851 /nfs/dbraw/zinc/42/38/51/1017423851.db2.gz DEPHLFGNVDZVFU-MRVPVSSYSA-N -1 0 300.292 -0.284 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](C)CC(=O)[O-])C[C@H]1C(=O)OC ZINC001598804068 1017424016 /nfs/dbraw/zinc/42/40/16/1017424016.db2.gz SDTVFYVWVKCIQN-DJLDLDEBSA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)C1CN(C(=O)/C(C)=C/C(=O)N2CC(C(=O)[O-])C2)C1 ZINC001598804371 1017424436 /nfs/dbraw/zinc/42/44/36/1017424436.db2.gz UTMCAURAOURKDD-FPYGCLRLSA-N -1 0 310.306 -0.893 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCC[C@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001598806093 1017424521 /nfs/dbraw/zinc/42/45/21/1017424521.db2.gz BKXYQTUNWMGFSD-HBNTYKKESA-N -1 0 314.338 -0.072 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)C[C@@H]1C(=O)[O-] ZINC001598802235 1017424642 /nfs/dbraw/zinc/42/46/42/1017424642.db2.gz BORUXXHQPCOILY-LPEHRKFASA-N -1 0 312.322 -0.813 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCC[C@H](C)OC)C[C@@H]1C(=O)[O-] ZINC001598806851 1017424714 /nfs/dbraw/zinc/42/47/14/1017424714.db2.gz GEPMANAXRJEVOS-LPEHRKFASA-N -1 0 302.327 -0.073 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C2CCC2)C[C@H]1C(=O)[O-] ZINC001598803114 1017424824 /nfs/dbraw/zinc/42/48/24/1017424824.db2.gz ITKVWQXUNFRDGE-NXEZZACHSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@@H]1C(=O)[O-] ZINC001598809689 1017425958 /nfs/dbraw/zinc/42/59/58/1017425958.db2.gz IXKVMXGZKXAZSQ-DTWKUNHWSA-N -1 0 311.294 -0.357 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)C1CCC(O)CC1 ZINC001497569459 1017426210 /nfs/dbraw/zinc/42/62/10/1017426210.db2.gz SZVPFCROOVIGAI-UPHRSURJSA-N -1 0 309.370 -0.177 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@@H]1C(=O)[O-] ZINC001598809845 1017426839 /nfs/dbraw/zinc/42/68/39/1017426839.db2.gz TXPDXVGKFKRNHD-OUAUKWLOSA-N -1 0 321.333 -0.222 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C2(n3cccn3)CC2)C[C@@H]1C(=O)[O-] ZINC001598810694 1017426950 /nfs/dbraw/zinc/42/69/50/1017426950.db2.gz XCHQLLHLJRFRQS-VHSXEESVSA-N -1 0 307.306 -0.296 20 0 DBADRM COC(=O)C1CN(C(=O)[C@H]2CC[C@H]2C(=O)N2CC(C(=O)[O-])C2)C1 ZINC001598808114 1017427137 /nfs/dbraw/zinc/42/71/37/1017427137.db2.gz NRPWANUHTSXQGY-MNOVXSKESA-N -1 0 324.333 -0.813 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2NCCc3occc32)C[C@@H]1C(=O)[O-] ZINC001598807829 1017427249 /nfs/dbraw/zinc/42/72/49/1017427249.db2.gz NLHRJRDZGHMYLL-HOSYDEDBSA-N -1 0 322.317 -0.201 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@@H]1C(=O)[O-] ZINC001598808274 1017427263 /nfs/dbraw/zinc/42/72/63/1017427263.db2.gz DOIFVEWPRUNRDN-KXUCPTDWSA-N -1 0 301.295 -0.876 20 0 DBADRM O=C(CO[C@H]1CCOC1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497577926 1017427816 /nfs/dbraw/zinc/42/78/16/1017427816.db2.gz FIPPZEMAZRTRDG-YOLVWIGZSA-N -1 0 311.342 -0.922 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@@H](NC=O)C(C)C)C[C@H]1C(=O)[O-] ZINC001598814674 1017428228 /nfs/dbraw/zinc/42/82/28/1017428228.db2.gz LWTNPENRSIEUSL-UTLUCORTSA-N -1 0 300.311 -0.911 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2c3c(nn2C)CCC3)C[C@H]1C(=O)[O-] ZINC001598812694 1017428523 /nfs/dbraw/zinc/42/85/23/1017428523.db2.gz DNNVNKUENQUWRW-ZJUUUORDSA-N -1 0 321.333 -0.145 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2COC[C@H]2C)C[C@H]1C(=O)[O-] ZINC001598810787 1017428541 /nfs/dbraw/zinc/42/85/41/1017428541.db2.gz VWFKOSZIYSLCCX-ZYUZMQFOSA-N -1 0 300.311 -0.464 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCCOC2)C[C@@H]1C(=O)[O-] ZINC001598811365 1017428798 /nfs/dbraw/zinc/42/87/98/1017428798.db2.gz WDRYTTAKSIHEBG-GARJFASQSA-N -1 0 314.338 -0.072 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1C(=O)[O-] ZINC001598813649 1017429005 /nfs/dbraw/zinc/42/90/05/1017429005.db2.gz WJWZEIPERWYYOV-MNOVXSKESA-N -1 0 309.322 -0.315 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)COc2cccnc2)C[C@@H]1C(=O)[O-] ZINC001598813284 1017429215 /nfs/dbraw/zinc/42/92/15/1017429215.db2.gz UIVGUDJLMSXEJA-QWRGUYRKSA-N -1 0 308.290 -0.207 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCc2ccnn2C)C[C@H]1C(=O)[O-] ZINC001598812533 1017429669 /nfs/dbraw/zinc/42/96/69/1017429669.db2.gz ZYDIKHKUPOXQSV-MNOVXSKESA-N -1 0 324.337 -0.522 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N2CCSCC2)C[C@H]1C(=O)[O-] ZINC001598812363 1017429755 /nfs/dbraw/zinc/42/97/55/1017429755.db2.gz ZZBMALCESCOEFM-RKDXNWHRSA-N -1 0 302.352 -0.039 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCc2ccncn2)C[C@H]1C(=O)[O-] ZINC001598812052 1017429801 /nfs/dbraw/zinc/42/98/01/1017429801.db2.gz PESCGNWQCXLJRW-MNOVXSKESA-N -1 0 307.306 -0.259 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@H]1C(=O)[O-] ZINC001598815881 1017431302 /nfs/dbraw/zinc/43/13/02/1017431302.db2.gz QBYODHWJXYPHKR-NXEZZACHSA-N -1 0 308.290 -0.371 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@@H]1C(=O)[O-] ZINC001598819410 1017431742 /nfs/dbraw/zinc/43/17/42/1017431742.db2.gz BTDFMAISZXJSCR-WDEREUQCSA-N -1 0 320.301 -0.269 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2c[nH]c(C(=O)[O-])c2)C[C@H]1C(=O)OC ZINC001598815926 1017432211 /nfs/dbraw/zinc/43/22/11/1017432211.db2.gz QHIMBIMWWUWMEQ-DTORHVGOSA-N -1 0 324.289 -0.253 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cnc3n2CCC3)C[C@@H]1C(=O)[O-] ZINC001598822669 1017433568 /nfs/dbraw/zinc/43/35/68/1017433568.db2.gz RNTJCYHZLHYPOK-IUCAKERBSA-N -1 0 307.306 -0.225 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)Nc2nccs2)C[C@@H]1C(=O)[O-] ZINC001598820657 1017434295 /nfs/dbraw/zinc/43/42/95/1017434295.db2.gz IPTKQQYDVZWYCW-YUMQZZPRSA-N -1 0 313.335 -0.113 20 0 DBADRM COC(=O)[C@H]1CSCCN1CCC(=O)N(C)CC(=O)[O-] ZINC001598825943 1017436536 /nfs/dbraw/zinc/43/65/36/1017436536.db2.gz QFGPTPMBQRQUKH-SECBINFHSA-N -1 0 304.368 -0.490 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)C[C@H]1C(=O)[O-] ZINC001598824366 1017436699 /nfs/dbraw/zinc/43/66/99/1017436699.db2.gz GTRUZESJSISDCG-OPRDCNLKSA-N -1 0 321.351 -0.699 20 0 DBADRM COC(=O)/C=C\[C@@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001598832006 1017439312 /nfs/dbraw/zinc/43/93/12/1017439312.db2.gz QNFLRJIFDFHPHQ-ZBJFTSOASA-N -1 0 320.367 -0.265 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-] ZINC001598836298 1017439463 /nfs/dbraw/zinc/43/94/63/1017439463.db2.gz ZJCKIXFLFWCFSM-ZCFIWIBFSA-N -1 0 315.282 -0.383 20 0 DBADRM COC(=O)/C=C\[C@H](C)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001598830939 1017439763 /nfs/dbraw/zinc/43/97/63/1017439763.db2.gz KCOCWVYDTQTCHY-UDIARPCQSA-N -1 0 308.290 -0.220 20 0 DBADRM COC(=O)CC(=O)N1CCN(C(=O)CC(=O)[O-])[C@H](C)[C@H]1C ZINC001598831124 1017439848 /nfs/dbraw/zinc/43/98/48/1017439848.db2.gz HKLJTYOJKWCLLG-RKDXNWHRSA-N -1 0 300.311 -0.528 20 0 DBADRM COC(=O)/C=C(/C)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001598832731 1017439882 /nfs/dbraw/zinc/43/98/82/1017439882.db2.gz XAVZSJHVGUTSSK-BSKOKIOFSA-N -1 0 305.352 -0.321 20 0 DBADRM COC(=O)/C=C/[C@H](C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598832879 1017440141 /nfs/dbraw/zinc/44/01/41/1017440141.db2.gz ZEUJZTNEMIISSY-FQNVXPIYSA-N -1 0 312.322 -0.457 20 0 DBADRM COC(=O)[C@@H]1c2ccccc2OCCN1CC(=O)NCC(=O)[O-] ZINC001598830855 1017440266 /nfs/dbraw/zinc/44/02/66/1017440266.db2.gz PVPSSLFKKMWXDL-AWEZNQCLSA-N -1 0 322.317 -0.204 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)CCCCF)C[C@@H]1C(=O)[O-] ZINC001598828489 1017440422 /nfs/dbraw/zinc/44/04/22/1017440422.db2.gz XARPCTSXHWHYFQ-DTWKUNHWSA-N -1 0 311.331 -0.129 20 0 DBADRM COC(=O)/C=C\[C@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001598832004 1017440846 /nfs/dbraw/zinc/44/08/46/1017440846.db2.gz QNFLRJIFDFHPHQ-TYRPZCRBSA-N -1 0 320.367 -0.265 20 0 DBADRM COC(=O)/C=C\[C@H](C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598832880 1017440870 /nfs/dbraw/zinc/44/08/70/1017440870.db2.gz ZEUJZTNEMIISSY-NRAIBSHISA-N -1 0 312.322 -0.457 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cc(C(=O)[O-])ccn1)C(=O)OC ZINC001598841574 1017441632 /nfs/dbraw/zinc/44/16/32/1017441632.db2.gz PUNWGBVRDOYOQB-VIFPVBQESA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H]1CCc2cnn(C)c2C1)C(=O)[O-] ZINC001598839970 1017441653 /nfs/dbraw/zinc/44/16/53/1017441653.db2.gz YEPHYSDDQLBXFC-PSASIEDQSA-N -1 0 309.322 -0.343 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H]1CCCc2nn(C)cc21)C(=O)[O-] ZINC001598840130 1017441872 /nfs/dbraw/zinc/44/18/72/1017441872.db2.gz ZSMMKMMCKLRXKZ-KCJUWKMLSA-N -1 0 309.322 -0.028 20 0 DBADRM COC(=O)C[C@@H](C)CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001598838822 1017442206 /nfs/dbraw/zinc/44/22/06/1017442206.db2.gz MZDSSZYUFDXXIA-CIUDSAMLSA-N -1 0 302.327 -0.330 20 0 DBADRM COC(=O)C[C@@H](NC(=O)Cn1ccc(C(F)F)n1)C(=O)[O-] ZINC001598841967 1017442592 /nfs/dbraw/zinc/44/25/92/1017442592.db2.gz SLPZSLHYARJGDN-SSDOTTSWSA-N -1 0 305.237 -0.047 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cc(C(N)=O)cs1)C(=O)[O-] ZINC001598840189 1017442926 /nfs/dbraw/zinc/44/29/26/1017442926.db2.gz HTSAGJDFPISWBI-LURJTMIESA-N -1 0 300.292 -0.407 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)NC[C@@H](O)CC(=O)[O-])CC1 ZINC001598842147 1017444867 /nfs/dbraw/zinc/44/48/67/1017444867.db2.gz AHDDIFLINMCEEC-QMMMGPOBSA-N -1 0 309.340 -0.915 20 0 DBADRM COC(=O)CC1CC(NS(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC001598846216 1017444983 /nfs/dbraw/zinc/44/49/83/1017444983.db2.gz NSBOYXXMZSHHFM-UHFFFAOYSA-N -1 0 308.356 -0.431 20 0 DBADRM COC(=O)C[C@@]1(NS(=O)(=O)C[C@@H](C)C(=O)[O-])CCCOC1 ZINC001598843489 1017445650 /nfs/dbraw/zinc/44/56/50/1017445650.db2.gz AYVFVIYTTUQZFL-SKDRFNHKSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)C[C@H](O)CNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001598842347 1017445674 /nfs/dbraw/zinc/44/56/74/1017445674.db2.gz ZEGHKIBCRNYHGC-QMMMGPOBSA-N -1 0 309.340 -0.915 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001598852537 1017448376 /nfs/dbraw/zinc/44/83/76/1017448376.db2.gz UAYWUZDFACGDNY-PSASIEDQSA-N -1 0 309.340 -0.821 20 0 DBADRM COC(=O)CCNC(=O)CNC(C)(C)c1nocc1C(=O)[O-] ZINC001598853503 1017447027 /nfs/dbraw/zinc/44/70/27/1017447027.db2.gz FPUANVRHGGZKJY-UHFFFAOYSA-N -1 0 313.310 -0.123 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H](C)N1CCN(C)CC1)C(=O)[O-] ZINC001598856006 1017450159 /nfs/dbraw/zinc/45/01/59/1017450159.db2.gz QGAREDHXPRLYFK-GHMZBOCLSA-N -1 0 315.370 -0.855 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cnn2cccnc12)C(=O)[O-] ZINC001598857550 1017451030 /nfs/dbraw/zinc/45/10/30/1017451030.db2.gz ZOJCEIQTEPCCIZ-SECBINFHSA-N -1 0 306.278 -0.135 20 0 DBADRM COC(=O)CCN1CC[C@H](N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1=O ZINC001598854338 1017451255 /nfs/dbraw/zinc/45/12/55/1017451255.db2.gz XBYOTNDWAWQHHV-VWYCJHECSA-N -1 0 314.338 -0.676 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-] ZINC001598855743 1017451349 /nfs/dbraw/zinc/45/13/49/1017451349.db2.gz MMTWBYQDYXKOPP-PSASIEDQSA-N -1 0 324.337 -0.557 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cc(C(N)=O)cs1)C(=O)[O-] ZINC001598857077 1017451361 /nfs/dbraw/zinc/45/13/61/1017451361.db2.gz RTOKFURURIFSKS-SSDOTTSWSA-N -1 0 314.319 -0.017 20 0 DBADRM O=C(CCc1cncnc1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497631865 1017451384 /nfs/dbraw/zinc/45/13/84/1017451384.db2.gz GKPHLAYWGABLEM-UPHRSURJSA-N -1 0 317.353 -0.305 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H](C)N1CCN(C)CC1)C(=O)[O-] ZINC001598856007 1017451485 /nfs/dbraw/zinc/45/14/85/1017451485.db2.gz QGAREDHXPRLYFK-WDEREUQCSA-N -1 0 315.370 -0.855 20 0 DBADRM COC(=O)CN(C)C(=O)c1ccc(C(=O)N(C)CC(=O)[O-])nc1 ZINC001598859804 1017452212 /nfs/dbraw/zinc/45/22/12/1017452212.db2.gz VQHGOQHMNMMZJJ-UHFFFAOYSA-N -1 0 323.305 -0.517 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CC(c2ccccn2)=NO1 ZINC001598860481 1017452750 /nfs/dbraw/zinc/45/27/50/1017452750.db2.gz CXONZCIEVWIHLQ-LLVKDONJSA-N -1 0 321.289 -0.339 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cn1nc(C)c2cccnc21 ZINC001598859953 1017453219 /nfs/dbraw/zinc/45/32/19/1017453219.db2.gz BZWZELLOLZBDMJ-UHFFFAOYSA-N -1 0 320.305 -0.174 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc2c(cn1)OCCO2 ZINC001598861050 1017453428 /nfs/dbraw/zinc/45/34/28/1017453428.db2.gz SDLSPFJJKQVFGX-UHFFFAOYSA-N -1 0 310.262 -0.447 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc(OC)cnc1F ZINC001598860652 1017454168 /nfs/dbraw/zinc/45/41/68/1017454168.db2.gz DETAUERWOCMGQW-UHFFFAOYSA-N -1 0 300.242 -0.071 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1c(C)nn(C)c1C ZINC001598862520 1017455075 /nfs/dbraw/zinc/45/50/75/1017455075.db2.gz JPPDRPDHGDRTOM-UHFFFAOYSA-N -1 0 319.339 -0.715 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)N1CCOC(C)(C)C1 ZINC001598863318 1017456119 /nfs/dbraw/zinc/45/61/19/1017456119.db2.gz HUFOUCFAXPWCLN-UHFFFAOYSA-N -1 0 302.327 -0.817 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001598861875 1017456426 /nfs/dbraw/zinc/45/64/26/1017456426.db2.gz QUJFBZWPQDPISB-JTQLQIEISA-N -1 0 312.326 -0.626 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[C@@H](C)CC(=O)[O-] ZINC001598864535 1017456455 /nfs/dbraw/zinc/45/64/55/1017456455.db2.gz IYIFGKQEOMDBTH-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)NC1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC001598882283 1017463184 /nfs/dbraw/zinc/46/31/84/1017463184.db2.gz VOTHQLQJVUCIGZ-QMMMGPOBSA-N -1 0 308.356 -0.143 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001598865744 1017458139 /nfs/dbraw/zinc/45/81/39/1017458139.db2.gz WIAICBZRKMRTLK-HYXAFXHYSA-N -1 0 310.262 -0.604 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1Cc1ccc(C(=O)[O-])n1C ZINC001598865069 1017458387 /nfs/dbraw/zinc/45/83/87/1017458387.db2.gz OURFWJHSGOLICV-LLVKDONJSA-N -1 0 323.349 -0.023 20 0 DBADRM COC(=O)COCC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC001598866577 1017458886 /nfs/dbraw/zinc/45/88/86/1017458886.db2.gz YFLRCWOMFVFWCF-JTQLQIEISA-N -1 0 303.311 -0.438 20 0 DBADRM COC(=O)N(C)CCCC(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001598876382 1017460582 /nfs/dbraw/zinc/46/05/82/1017460582.db2.gz FCEQFKULZZCMDP-SECBINFHSA-N -1 0 318.326 -0.203 20 0 DBADRM COC(=O)N1CC(C)(NC(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001598875451 1017460856 /nfs/dbraw/zinc/46/08/56/1017460856.db2.gz DWVARXBXVJILTM-UHFFFAOYSA-N -1 0 311.298 -0.070 20 0 DBADRM COC(=O)Cc1occc1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001598873133 1017460924 /nfs/dbraw/zinc/46/09/24/1017460924.db2.gz BLFGVBUCSAXZOR-UHFFFAOYSA-N -1 0 322.277 -0.285 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)NC[C@H](O)CC(=O)[O-])n1 ZINC001598874876 1017461000 /nfs/dbraw/zinc/46/10/00/1017461000.db2.gz DTWJOLYUBZFNSK-SSDOTTSWSA-N -1 0 300.271 -0.987 20 0 DBADRM COC(=O)N(C)CCN1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001598877333 1017461049 /nfs/dbraw/zinc/46/10/49/1017461049.db2.gz DGUYTIUWLSLREM-DTWKUNHWSA-N -1 0 313.310 -0.188 20 0 DBADRM COC(=O)N(C)CCNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001598877588 1017461347 /nfs/dbraw/zinc/46/13/47/1017461347.db2.gz OLEJTGBGPSXFOP-UHFFFAOYSA-N -1 0 308.356 -0.141 20 0 DBADRM COC(=O)N(C)CC(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC001598875825 1017461574 /nfs/dbraw/zinc/46/15/74/1017461574.db2.gz GOJIHYHVOBRMHF-QMMMGPOBSA-N -1 0 301.324 -0.047 20 0 DBADRM COC(=O)NCCC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598883450 1017462775 /nfs/dbraw/zinc/46/27/75/1017462775.db2.gz QRYXVXQTUKPOSF-MRVPVSSYSA-N -1 0 311.298 -0.504 20 0 DBADRM COC(=O)N1CCC(C(=O)N2CCC(O)(C(=O)[O-])CC2)CC1 ZINC001598880678 1017462842 /nfs/dbraw/zinc/46/28/42/1017462842.db2.gz UXLUQDWRYWEAIM-UHFFFAOYSA-N -1 0 314.338 -0.097 20 0 DBADRM COC(=O)NCCCC(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001598883873 1017465006 /nfs/dbraw/zinc/46/50/06/1017465006.db2.gz VJJVVOLHOWSKSJ-ZJUUUORDSA-N -1 0 302.327 -0.024 20 0 DBADRM COC(=O)N1CC(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1 ZINC001598880426 1017463525 /nfs/dbraw/zinc/46/35/25/1017463525.db2.gz VYGVPFCYBLTGCU-VHSXEESVSA-N -1 0 300.311 -0.034 20 0 DBADRM COC(=O)N1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1 ZINC001598881704 1017463537 /nfs/dbraw/zinc/46/35/37/1017463537.db2.gz HMHKHRBIONFRME-OPRDCNLKSA-N -1 0 300.311 -0.225 20 0 DBADRM COC(=O)NCC(=O)O[C@@H]1C[C@H](C(=O)[O-])C[C@@H](C(=O)OC)C1 ZINC001598883105 1017463566 /nfs/dbraw/zinc/46/35/66/1017463566.db2.gz KMSSQJPCVRMTMX-IWSPIJDZSA-N -1 0 317.294 -0.072 20 0 DBADRM COC(=O)N1CCCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC001598882030 1017463583 /nfs/dbraw/zinc/46/35/83/1017463583.db2.gz OFDJNAGJWAVXDG-UHFFFAOYSA-N -1 0 303.315 -0.429 20 0 DBADRM COC(=O)N1CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC001598881464 1017463746 /nfs/dbraw/zinc/46/37/46/1017463746.db2.gz DTWPSCUOKCKHNG-NSHDSACASA-N -1 0 301.343 -0.404 20 0 DBADRM COC(=O)NCC(=O)NCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001598883467 1017463974 /nfs/dbraw/zinc/46/39/74/1017463974.db2.gz RSSFOUDYUYWMHT-UHFFFAOYSA-N -1 0 311.298 -0.917 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001598890720 1017465938 /nfs/dbraw/zinc/46/59/38/1017465938.db2.gz UXOCLQWRTVBDHA-DTWKUNHWSA-N -1 0 321.351 -0.666 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)/C=C1\SCC(=O)N1C ZINC001598890066 1017466160 /nfs/dbraw/zinc/46/61/60/1017466160.db2.gz IKBOKWKIWZMGGQ-SUKXWOPLSA-N -1 0 316.335 -0.444 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1 ZINC001598884865 1017466219 /nfs/dbraw/zinc/46/62/19/1017466219.db2.gz NQAVWICJVSBMOA-NKWVEPMBSA-N -1 0 300.271 -0.289 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CN1CCC(CO)CC1 ZINC001598890172 1017466279 /nfs/dbraw/zinc/46/62/79/1017466279.db2.gz KMAUNRMBNHISSW-LLVKDONJSA-N -1 0 316.354 -0.787 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001598890111 1017466486 /nfs/dbraw/zinc/46/64/86/1017466486.db2.gz JKIPVSFYDXKDQA-NXEZZACHSA-N -1 0 324.337 -0.328 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598884202 1017466555 /nfs/dbraw/zinc/46/65/55/1017466555.db2.gz OSAJRSFDHGRTAA-JGVFFNPUSA-N -1 0 311.298 -0.506 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001598895989 1017468564 /nfs/dbraw/zinc/46/85/64/1017468564.db2.gz SKTISXKHHFESKH-DJLDLDEBSA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)CC(C)C ZINC001598893006 1017469087 /nfs/dbraw/zinc/46/90/87/1017469087.db2.gz JUNHPSYFKHWKDU-SECBINFHSA-N -1 0 310.372 -0.185 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)c1conc1C ZINC001598892636 1017469304 /nfs/dbraw/zinc/46/93/04/1017469304.db2.gz DFOZDRICAQXTCP-SSDOTTSWSA-N -1 0 306.296 -0.332 20 0 DBADRM CCn1ccc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)n1 ZINC001497693134 1017470528 /nfs/dbraw/zinc/47/05/28/1017470528.db2.gz UFMVZWVGQPZXIK-ARJAWSKDSA-N -1 0 305.342 -0.198 20 0 DBADRM COC(=O)[C@@H]1CN(CN2C[C@H](C(=O)[O-])CC2=O)C[C@@H](C)O1 ZINC001598898882 1017470830 /nfs/dbraw/zinc/47/08/30/1017470830.db2.gz NWIVOUMEUBGTGP-BBBLOLIVSA-N -1 0 300.311 -0.861 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC2CC(C(=O)[O-])C2)C[C@@H](C)O1 ZINC001598897042 1017470854 /nfs/dbraw/zinc/47/08/54/1017470854.db2.gz KYKKKFKFRVFAOV-WOOKNIGNSA-N -1 0 300.311 -0.179 20 0 DBADRM COC(=O)[C@@H]1CN(CN2CC[C@](OC)(C(=O)[O-])C2)C(=O)O1 ZINC001598898769 1017470990 /nfs/dbraw/zinc/47/09/90/1017470990.db2.gz JRZYEKFDALEQPP-QPUJVOFHSA-N -1 0 302.283 -0.887 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)O1 ZINC001598897462 1017471513 /nfs/dbraw/zinc/47/15/13/1017471513.db2.gz OLAOKCXHUNINFT-DOLQZWNJSA-N -1 0 301.295 -0.593 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)O1 ZINC001598897802 1017471550 /nfs/dbraw/zinc/47/15/50/1017471550.db2.gz RKKCDNFLCDCPRD-RGOKHQFPSA-N -1 0 301.295 -0.999 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497699331 1017471487 /nfs/dbraw/zinc/47/14/87/1017471487.db2.gz WANQPVJFSFXXSB-PLNGDYQASA-N -1 0 324.385 -0.565 20 0 DBADRM COC(=O)[C@@H]1CO[C@H](CCC(=O)NC[C@@H](O)CC(=O)[O-])C1 ZINC001598899533 1017472088 /nfs/dbraw/zinc/47/20/88/1017472088.db2.gz APOXCBRXZYFCNX-LPEHRKFASA-N -1 0 303.311 -0.704 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC001598902882 1017473483 /nfs/dbraw/zinc/47/34/83/1017473483.db2.gz HSBFUMOFTJQRPJ-QMGXLNLGSA-N -1 0 300.311 -0.865 20 0 DBADRM COC(=O)[C@H]1O[C@H](C(=O)N2CCOC[C@H]2CC(=O)[O-])C[C@@H]1C ZINC001598909103 1017473868 /nfs/dbraw/zinc/47/38/68/1017473868.db2.gz QMJOODDXANUNEU-WYFGTUCQSA-N -1 0 315.322 -0.345 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001598908845 1017473919 /nfs/dbraw/zinc/47/39/19/1017473919.db2.gz FKYBPVRTPHSLMO-JBDRJPRFSA-N -1 0 315.326 -0.785 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001598905661 1017474739 /nfs/dbraw/zinc/47/47/39/1017474739.db2.gz FKYBPVRTPHSLMO-XSPKLOCKSA-N -1 0 315.326 -0.785 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001598906647 1017474760 /nfs/dbraw/zinc/47/47/60/1017474760.db2.gz PLUQRKLTHWLTIV-KYXWUPHJSA-N -1 0 300.311 -0.179 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC001598907512 1017474770 /nfs/dbraw/zinc/47/47/70/1017474770.db2.gz QNDMUOWZQRSJQX-QIBSRJKCSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC2(C(=O)[O-])CCC2)n[nH]1 ZINC001598954328 1017481264 /nfs/dbraw/zinc/48/12/64/1017481264.db2.gz SYYIYXMQLZYETH-UHFFFAOYSA-N -1 0 303.296 -0.518 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)N2CC[C@@](OC)(C(=O)[O-])C2)C1 ZINC001598906453 1017475056 /nfs/dbraw/zinc/47/50/56/1017475056.db2.gz OEEQXTRZXLZSSG-RVBZMBCESA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598903999 1017475098 /nfs/dbraw/zinc/47/50/98/1017475098.db2.gz WVVRPDTVLAWUNH-JRPNMDOOSA-N -1 0 307.302 -0.105 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001598903363 1017475287 /nfs/dbraw/zinc/47/52/87/1017475287.db2.gz YIWBEYFKTCQSMD-SAVGLBRCSA-N -1 0 312.322 -0.464 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)no1 ZINC001598920724 1017476199 /nfs/dbraw/zinc/47/61/99/1017476199.db2.gz YSQGXISEOPASJG-SECBINFHSA-N -1 0 308.250 -0.250 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1Cc1nnc2n1CCOC2 ZINC001598926727 1017476231 /nfs/dbraw/zinc/47/62/31/1017476231.db2.gz RZPSHPIBWBDOOF-UHFFFAOYSA-N -1 0 307.266 -0.462 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CC(=O)C2(C(=O)OC)CC2)n1 ZINC001598924135 1017476316 /nfs/dbraw/zinc/47/63/16/1017476316.db2.gz WGPYXZUYNSXORX-UHFFFAOYSA-N -1 0 310.262 -0.110 20 0 DBADRM COC(=O)c1[nH]cc(C(=O)[O-])c1NC(=O)C[C@H]1CCNC1=O ZINC001598912382 1017476369 /nfs/dbraw/zinc/47/63/69/1017476369.db2.gz KGBXOWGSIMHBOJ-ZCFIWIBFSA-N -1 0 309.278 -0.036 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC[C@@H]1C(=O)[O-] ZINC001598911272 1017476499 /nfs/dbraw/zinc/47/64/99/1017476499.db2.gz CTHMJVAUZVQUSC-ZCFIWIBFSA-N -1 0 303.296 -0.648 20 0 DBADRM COC(=O)c1c[nH]c(C(=O)[O-])c1NC(=O)C[C@@H]1CCNC1=O ZINC001598916318 1017476554 /nfs/dbraw/zinc/47/65/54/1017476554.db2.gz IJORLNKTATUUSW-LURJTMIESA-N -1 0 309.278 -0.036 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CCC2CS(=O)(=O)C2)n1 ZINC001598925316 1017477662 /nfs/dbraw/zinc/47/76/62/1017477662.db2.gz UFBDZBNPIOOVQV-UHFFFAOYSA-N -1 0 302.308 -0.197 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN1CCN(C(C)C)C(=O)C1 ZINC001598926793 1017477703 /nfs/dbraw/zinc/47/77/03/1017477703.db2.gz VOUTWOKSUVKDQA-UHFFFAOYSA-N -1 0 324.337 -0.122 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN(C)[C@H]2CCN(C)C2=O)n1 ZINC001598924033 1017477719 /nfs/dbraw/zinc/47/77/19/1017477719.db2.gz CBHRZVILXIAHPW-VIFPVBQESA-N -1 0 310.310 -0.512 20 0 DBADRM COC(=O)c1cc(C(=O)OC)n(Cc2cnc(C(=O)[O-])cn2)n1 ZINC001598926652 1017477945 /nfs/dbraw/zinc/47/79/45/1017477945.db2.gz ONZHXNXFPMBIQZ-UHFFFAOYSA-N -1 0 320.261 -0.007 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN2CCN(C(C)C)C(=O)C2)n1 ZINC001598921694 1017478042 /nfs/dbraw/zinc/47/80/42/1017478042.db2.gz HMYYFKFPGFVKBZ-UHFFFAOYSA-N -1 0 324.337 -0.122 20 0 DBADRM COC(=O)c1cc(C(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)c[nH]1 ZINC001598918677 1017478190 /nfs/dbraw/zinc/47/81/90/1017478190.db2.gz XLZRTYCUGXQYBM-BDAKNGLRSA-N -1 0 324.289 -0.253 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)n1 ZINC001598923347 1017478359 /nfs/dbraw/zinc/47/83/59/1017478359.db2.gz XYSDZWLZISBWQO-VROVMSAKSA-N -1 0 323.305 -0.324 20 0 DBADRM COC(=O)c1cc(NC(=O)NC[C@@H](O)CO)ccc1C(=O)[O-] ZINC001598945185 1017479549 /nfs/dbraw/zinc/47/95/49/1017479549.db2.gz NMPJVULDUODIGX-MRVPVSSYSA-N -1 0 312.278 -0.354 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001598955694 1017479759 /nfs/dbraw/zinc/47/97/59/1017479759.db2.gz MQVDCMCJPVUENF-RQJHMYQMSA-N -1 0 317.323 -0.272 20 0 DBADRM COC(=O)c1ccc(=O)n(Cc2noc(CCC(=O)[O-])n2)n1 ZINC001598956732 1017480040 /nfs/dbraw/zinc/48/00/40/1017480040.db2.gz SEDNZGODEIKTKX-UHFFFAOYSA-N -1 0 308.250 -0.522 20 0 DBADRM COC(=O)c1ccc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)n1C ZINC001598957642 1017480278 /nfs/dbraw/zinc/48/02/78/1017480278.db2.gz KDQDCRFPCIBCOR-DTWKUNHWSA-N -1 0 310.306 -0.281 20 0 DBADRM COC(=O)c1cc(NC(=O)N2CC(O)(C(=O)[O-])C2)cnc1C ZINC001598941614 1017480356 /nfs/dbraw/zinc/48/03/56/1017480356.db2.gz UCKFTGYMFUKLIO-UHFFFAOYSA-N -1 0 309.278 -0.160 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)cn1C ZINC001598937467 1017480977 /nfs/dbraw/zinc/48/09/77/1017480977.db2.gz SLTUYWXOXUUYBS-UHFFFAOYSA-N -1 0 323.305 -0.269 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@](C)(C(=O)[O-])C2)on1 ZINC001598952763 1017480996 /nfs/dbraw/zinc/48/09/96/1017480996.db2.gz SBTWFVMOYCEJOA-NSHDSACASA-N -1 0 318.307 -0.054 20 0 DBADRM Cc1ncc(CNC/C=C/CNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001497734438 1017482522 /nfs/dbraw/zinc/48/25/22/1017482522.db2.gz LNHJRLYVDDSDHZ-NSCUHMNNSA-N -1 0 322.325 -0.552 20 0 DBADRM Cc1nc[nH]c1CC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497734539 1017483317 /nfs/dbraw/zinc/48/33/17/1017483317.db2.gz NNXSEQFPALOSND-IHWYPQMZSA-N -1 0 305.342 -0.453 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1C(=O)[O-] ZINC001598989479 1017483720 /nfs/dbraw/zinc/48/37/20/1017483720.db2.gz ZDJZNBCBMLACRL-SSDOTTSWSA-N -1 0 317.319 -0.170 20 0 DBADRM COC(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC001598991423 1017484038 /nfs/dbraw/zinc/48/40/38/1017484038.db2.gz LPEPAFLQCIPGLV-LLVKDONJSA-N -1 0 320.301 -0.112 20 0 DBADRM COC(=O)c1ccc(NC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])nn1 ZINC001598981197 1017484117 /nfs/dbraw/zinc/48/41/17/1017484117.db2.gz MVDZVNVKVGIFBW-IMTBSYHQSA-N -1 0 310.266 -0.373 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC001598998774 1017484231 /nfs/dbraw/zinc/48/42/31/1017484231.db2.gz CDEVZYXMYBXOAP-HNNXBMFYSA-N -1 0 322.317 -0.067 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@@H](C)S(C)(=O)=O)OC ZINC001599046658 1017494751 /nfs/dbraw/zinc/49/47/51/1017494751.db2.gz KLKMERDCJYWHCI-MRVPVSSYSA-N -1 0 311.356 -0.658 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001599008674 1017486467 /nfs/dbraw/zinc/48/64/67/1017486467.db2.gz UKXINYUVWKKMJP-KNVOCYPGSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CC[C@H](OC)C[C@@H]2C(=O)[O-])cn1 ZINC001599007522 1017487238 /nfs/dbraw/zinc/48/72/38/1017487238.db2.gz JXZPMFTWAPRWHD-GZMMTYOYSA-N -1 0 323.305 -0.033 20 0 DBADRM COC(=O)c1cnn(CC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC001599011634 1017488846 /nfs/dbraw/zinc/48/88/46/1017488846.db2.gz UWHIMUMNNQWPHN-JTQLQIEISA-N -1 0 321.293 -0.795 20 0 DBADRM COC(=O)c1sccc1C(=O)NCC(=O)NCC(=O)[O-] ZINC001599022120 1017489384 /nfs/dbraw/zinc/48/93/84/1017489384.db2.gz RYNNZZYWPAEDCX-UHFFFAOYSA-N -1 0 300.292 -0.535 20 0 DBADRM CO[C@H](C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)[C@@H]1CCOC1 ZINC001599023842 1017490115 /nfs/dbraw/zinc/49/01/15/1017490115.db2.gz SFEYHMLNWIPDPU-OLUVUFQESA-N -1 0 312.322 -0.130 20 0 DBADRM COC(=O)c1coc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1 ZINC001599012211 1017490469 /nfs/dbraw/zinc/49/04/69/1017490469.db2.gz CEFYWXATVNARMB-MRVPVSSYSA-N -1 0 310.262 -0.566 20 0 DBADRM CO[C@H](C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)c1cnn(C)c1 ZINC001599023383 1017490763 /nfs/dbraw/zinc/49/07/63/1017490763.db2.gz GYKFWFODHIBZPL-FZMZJTMJSA-N -1 0 322.321 -0.060 20 0 DBADRM CO[C@](C)(CO)CNC(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC001599034502 1017491755 /nfs/dbraw/zinc/49/17/55/1017491755.db2.gz IMGFBXADGUIOQJ-LBPRGKRZSA-N -1 0 316.335 -0.102 20 0 DBADRM CO[C@@H](C(=O)OC(C)(C)C)C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001599031286 1017492965 /nfs/dbraw/zinc/49/29/65/1017492965.db2.gz YFYLKXOHNRNCIT-AMIZOPFISA-N -1 0 303.311 -0.609 20 0 DBADRM CO[C@@H](C(=O)NCCC(=O)NCCC(=O)[O-])[C@@H]1CCOC1 ZINC001599028737 1017492875 /nfs/dbraw/zinc/49/28/75/1017492875.db2.gz ROCSLRVKAMDNHC-BXKDBHETSA-N -1 0 302.327 -0.865 20 0 DBADRM CO[C@](C)(CO)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001599035165 1017492954 /nfs/dbraw/zinc/49/29/54/1017492954.db2.gz VEPUAXSDPBLHNB-ZDUSSCGKSA-N -1 0 311.294 -0.768 20 0 DBADRM CO[C@](C)(CO)CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001599035034 1017493037 /nfs/dbraw/zinc/49/30/37/1017493037.db2.gz RGYBCZLOXYPYTA-JTQLQIEISA-N -1 0 307.328 -0.908 20 0 DBADRM CO[C@](C)(CO)CNS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599034563 1017493193 /nfs/dbraw/zinc/49/31/93/1017493193.db2.gz JJEOETIKKOJPTP-NSHDSACASA-N -1 0 307.324 -0.038 20 0 DBADRM CO[C@](C)(CO)CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001599034398 1017493216 /nfs/dbraw/zinc/49/32/16/1017493216.db2.gz FUSBDIKMGLEJIQ-NSHDSACASA-N -1 0 304.324 -0.545 20 0 DBADRM CO[C@](C)(CO)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001599034709 1017493266 /nfs/dbraw/zinc/49/32/66/1017493266.db2.gz MIDRGYLMGNOVNN-HNNXBMFYSA-N -1 0 324.333 -0.234 20 0 DBADRM CO[C@@](C)(CO)CNC(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC001599034500 1017493333 /nfs/dbraw/zinc/49/33/33/1017493333.db2.gz IMGFBXADGUIOQJ-GFCCVEGCSA-N -1 0 316.335 -0.102 20 0 DBADRM COC(C)(C)CN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599032829 1017493403 /nfs/dbraw/zinc/49/34/03/1017493403.db2.gz PCVOITHGCSTNOA-ZJUUUORDSA-N -1 0 316.354 -0.836 20 0 DBADRM CO[C@@](C)([C@H](C)NC(=O)C(=O)NC[C@H](F)C(=O)[O-])C1CC1 ZINC001599035542 1017494603 /nfs/dbraw/zinc/49/46/03/1017494603.db2.gz OXNNPVXAMKWKKI-XICLSFFLSA-N -1 0 304.318 -0.155 20 0 DBADRM CO[C@@H](C)[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001599040410 1017494698 /nfs/dbraw/zinc/49/46/98/1017494698.db2.gz WBKKSQRONFMYSQ-CBAPKCEASA-N -1 0 312.326 -0.246 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)CCS(C)(=O)=O)OC ZINC001599046722 1017494733 /nfs/dbraw/zinc/49/47/33/1017494733.db2.gz LLJCESPIQRXMKV-UHFFFAOYSA-N -1 0 311.356 -0.657 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@H]1CCC(=O)N1C)OC ZINC001599046186 1017495412 /nfs/dbraw/zinc/49/54/12/1017495412.db2.gz CDEOZHFUZRQXDJ-SECBINFHSA-N -1 0 302.327 -0.471 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001599037614 1017495630 /nfs/dbraw/zinc/49/56/30/1017495630.db2.gz JQVAWOJAFPGISE-MNOVXSKESA-N -1 0 308.400 -0.168 20 0 DBADRM CO[C@H](CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-])[C@H]1CCOC1 ZINC001599052698 1017498823 /nfs/dbraw/zinc/49/88/23/1017498823.db2.gz XAJWDBBAGOGHFC-HBNTYKKESA-N -1 0 307.368 -0.779 20 0 DBADRM CO[C@@H](CCNC(=O)C(=O)NC[C@H](F)C(=O)[O-])C(F)(F)F ZINC001599044533 1017495770 /nfs/dbraw/zinc/49/57/70/1017495770.db2.gz VYXSUANMPANOOF-WDSKDSINSA-N -1 0 318.223 -0.391 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)/C=C\Cn1cncn1)OC ZINC001599047179 1017495817 /nfs/dbraw/zinc/49/58/17/1017495817.db2.gz RVWKMHPNUCHQMW-ARJAWSKDSA-N -1 0 312.326 -0.244 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@@H](CO)Nc1ncc(C(=O)[O-])cn1 ZINC001599038667 1017496001 /nfs/dbraw/zinc/49/60/01/1017496001.db2.gz RVFXLZRMCJXTPI-WPRPVWTQSA-N -1 0 312.326 -0.511 20 0 DBADRM CO[C@H](CS(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)C(C)C ZINC001599056009 1017498851 /nfs/dbraw/zinc/49/88/51/1017498851.db2.gz ATUXPCRDVZCTEM-GMTAPVOTSA-N -1 0 309.384 -0.245 20 0 DBADRM CO[C@H](CN1CCS(=O)(=O)C[C@H]1C(=O)[O-])[C@H]1CCOC1 ZINC001599052692 1017498863 /nfs/dbraw/zinc/49/88/63/1017498863.db2.gz XAJWDBBAGOGHFC-GARJFASQSA-N -1 0 307.368 -0.779 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC1(C(=O)[O-])CC(CO)C1)C(C)C ZINC001599055068 1017497180 /nfs/dbraw/zinc/49/71/80/1017497180.db2.gz AYFPIUHGKSGMPN-YZRBJQDESA-N -1 0 309.384 -0.198 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC1(C(=O)[O-])CC(CO)C1)C1CC1 ZINC001599056266 1017497497 /nfs/dbraw/zinc/49/74/97/1017497497.db2.gz MDHKGIUTEPSUHO-BSTRBVHOSA-N -1 0 307.368 -0.444 20 0 DBADRM CO[C@H](CNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001599050949 1017497520 /nfs/dbraw/zinc/49/75/20/1017497520.db2.gz DIEIQFJWXYSISH-QCNOEVLYSA-N -1 0 316.354 -0.079 20 0 DBADRM COC(CN(CCC(=O)[O-])CC(=O)N1CCOCC1)OC ZINC001599047699 1017497833 /nfs/dbraw/zinc/49/78/33/1017497833.db2.gz IOJHEKZJZPTQGH-UHFFFAOYSA-N -1 0 304.343 -0.759 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1)C(C)C ZINC001599050208 1017497905 /nfs/dbraw/zinc/49/79/05/1017497905.db2.gz GUMJOHLQLWWRFT-QWRGUYRKSA-N -1 0 316.354 -0.524 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001599055413 1017497948 /nfs/dbraw/zinc/49/79/48/1017497948.db2.gz FWDACEXEOXCNAO-DBIOUOCHSA-N -1 0 307.368 -0.180 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC[C@]1(C(=O)[O-])CCOC1)C1CC1 ZINC001599055113 1017498359 /nfs/dbraw/zinc/49/83/59/1017498359.db2.gz CAVMOCWYQMETCP-CMPLNLGQSA-N -1 0 307.368 -0.178 20 0 DBADRM COC(CN(CCC(=O)[O-])S(=O)(=O)c1ccn(C)n1)OC ZINC001599048589 1017498582 /nfs/dbraw/zinc/49/85/82/1017498582.db2.gz VCANRSALWUJTCX-UHFFFAOYSA-N -1 0 321.355 -0.496 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC1(C(=O)[O-])CC1)C1CCOCC1 ZINC001599057794 1017501477 /nfs/dbraw/zinc/50/14/77/1017501477.db2.gz VFVPNGTZIBAENS-JTQLQIEISA-N -1 0 307.368 -0.035 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)C(C)C ZINC001599049669 1017498943 /nfs/dbraw/zinc/49/89/43/1017498943.db2.gz BHQUQGFXXMHYEB-OUAUKWLOSA-N -1 0 316.354 -0.932 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@@H]1CC[C@@H]1C(=O)[O-])[C@H]1CCOC1 ZINC001599055877 1017498954 /nfs/dbraw/zinc/49/89/54/1017498954.db2.gz KAPPORCCGYKUQO-UKKRHICBSA-N -1 0 307.368 -0.180 20 0 DBADRM COC(OC)[C@@H](C)NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599062939 1017500235 /nfs/dbraw/zinc/50/02/35/1017500235.db2.gz ZRGAMNMEGSHAEY-PSASIEDQSA-N -1 0 304.343 -0.139 20 0 DBADRM CO[C@@H](Cn1nnnc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)[C@@H]1CCOC1 ZINC001599060991 1017500325 /nfs/dbraw/zinc/50/03/25/1017500325.db2.gz VYKFXEDOYWWQHN-GCHJQGSQSA-N -1 0 323.353 -0.509 20 0 DBADRM CO[C@H](Cc1ccccc1)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001599059335 1017500845 /nfs/dbraw/zinc/50/08/45/1017500845.db2.gz SGSTVSVPADHCAC-CHWSQXEVSA-N -1 0 320.345 -0.002 20 0 DBADRM CO[C@H](Cn1nnnc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)[C@@H]1CCOC1 ZINC001599060994 1017500890 /nfs/dbraw/zinc/50/08/90/1017500890.db2.gz VYKFXEDOYWWQHN-ZIQFBCGOSA-N -1 0 323.353 -0.509 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)[C@H]1CCOC1 ZINC001599056995 1017500912 /nfs/dbraw/zinc/50/09/12/1017500912.db2.gz DZQWKBURVLRAIE-HHHUOAJASA-N -1 0 319.379 -0.370 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCOC[C@H]2C)C1 ZINC001599066278 1017502434 /nfs/dbraw/zinc/50/24/34/1017502434.db2.gz MFVIGMVWVQIJSZ-ISTVAULSSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2cccnc2)C1 ZINC001599066413 1017502763 /nfs/dbraw/zinc/50/27/63/1017502763.db2.gz DDPVFLXEVNTTPA-AWEZNQCLSA-N -1 0 307.306 -0.600 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C1 ZINC001599065779 1017502788 /nfs/dbraw/zinc/50/27/88/1017502788.db2.gz MYXQHQWELGYREV-ISVAXAHUSA-N -1 0 301.343 -0.229 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](CF)C2)C1 ZINC001599064927 1017502872 /nfs/dbraw/zinc/50/28/72/1017502872.db2.gz DCBHKFMGEXFGRM-ZANVPECISA-N -1 0 302.302 -0.494 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C2=C(C)N(C)c3nnnn3C2)C1 ZINC001599065480 1017502928 /nfs/dbraw/zinc/50/29/28/1017502928.db2.gz FQWIAUKVMKTXFH-CYBMUJFWSA-N -1 0 322.325 -0.901 20 0 DBADRM CO[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)C1 ZINC001599066442 1017502953 /nfs/dbraw/zinc/50/29/53/1017502953.db2.gz DXYAFURKMDESPM-RBZYPMLTSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C2=C(C)N(C)c3nnnn3C2)C1 ZINC001599065482 1017503243 /nfs/dbraw/zinc/50/32/43/1017503243.db2.gz FQWIAUKVMKTXFH-ZDUSSCGKSA-N -1 0 322.325 -0.901 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCCNC(=O)C(C)C)C1 ZINC001599071561 1017507439 /nfs/dbraw/zinc/50/74/39/1017507439.db2.gz FBZUKBCCDWDLHS-CYBMUJFWSA-N -1 0 301.343 -0.356 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC001599066097 1017503514 /nfs/dbraw/zinc/50/35/14/1017503514.db2.gz AVDZIABNRCSWQK-AWEZNQCLSA-N -1 0 324.337 -0.322 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(CCO)C2CCC2)C1 ZINC001599067497 1017504577 /nfs/dbraw/zinc/50/45/77/1017504577.db2.gz DUVRJSBWELGZOV-CQSZACIVSA-N -1 0 314.338 -0.938 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@]23CCC(=O)N2CCS3)C1 ZINC001599066770 1017504604 /nfs/dbraw/zinc/50/46/04/1017504604.db2.gz YBDONQMHYMQVJN-QWHCGFSZSA-N -1 0 314.363 -0.246 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC[C@@H]2CC2(F)F)C1 ZINC001599066971 1017505102 /nfs/dbraw/zinc/50/51/02/1017505102.db2.gz IEAXMUCNBYGNDN-PRHODGIISA-N -1 0 320.292 -0.150 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC=C(F)C2)C1 ZINC001599067024 1017505196 /nfs/dbraw/zinc/50/51/96/1017505196.db2.gz PQRRLWQKHRKHFU-CYBMUJFWSA-N -1 0 300.286 -0.226 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H]2CCCOC2)C1 ZINC001599068557 1017505217 /nfs/dbraw/zinc/50/52/17/1017505217.db2.gz ZAEIHINPPAGZEL-HZMBPMFUSA-N -1 0 314.338 -0.769 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H](C)c2ccccn2)C1 ZINC001599067358 1017505327 /nfs/dbraw/zinc/50/53/27/1017505327.db2.gz SIUJRKXGQURHFY-MEBBXXQBSA-N -1 0 321.333 -0.039 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)Cc2ccoc2)C1 ZINC001599067960 1017505394 /nfs/dbraw/zinc/50/53/94/1017505394.db2.gz IRCSEQFRVKIUFK-CQSZACIVSA-N -1 0 310.306 -0.060 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2COC(C)(C)C2)C1 ZINC001599068441 1017505425 /nfs/dbraw/zinc/50/54/25/1017505425.db2.gz YJOAUOPVGGMAPO-OTYXRUKQSA-N -1 0 314.338 -0.628 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC[C@H]2CC2(F)F)C1 ZINC001599066973 1017505437 /nfs/dbraw/zinc/50/54/37/1017505437.db2.gz IEAXMUCNBYGNDN-UFBFGSQYSA-N -1 0 320.292 -0.150 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001599068431 1017505471 /nfs/dbraw/zinc/50/54/71/1017505471.db2.gz MVCBSPIVEUOEIW-CYBMUJFWSA-N -1 0 313.310 -0.980 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@]2(C)CC2(F)F)C1 ZINC001599067089 1017506092 /nfs/dbraw/zinc/50/60/92/1017506092.db2.gz QIINXAMKRJDGNU-NWDGAFQWSA-N -1 0 320.292 -0.150 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCc2ccco2)C1 ZINC001599070837 1017506517 /nfs/dbraw/zinc/50/65/17/1017506517.db2.gz XZXGXZDLUNEBKB-CQSZACIVSA-N -1 0 310.306 -0.360 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCCN2CCSCC2)C1 ZINC001599073230 1017506591 /nfs/dbraw/zinc/50/65/91/1017506591.db2.gz VPTIRMQIYPYPSF-CYBMUJFWSA-N -1 0 317.411 -0.080 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001599071774 1017507024 /nfs/dbraw/zinc/50/70/24/1017507024.db2.gz XSCRXOGMVCPMDH-CQSZACIVSA-N -1 0 307.306 -0.575 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cnn(C)c2C)C1 ZINC001599070175 1017507095 /nfs/dbraw/zinc/50/70/95/1017507095.db2.gz SRRFFMJPFOIJEH-CYBMUJFWSA-N -1 0 310.310 -0.631 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001599071773 1017507189 /nfs/dbraw/zinc/50/71/89/1017507189.db2.gz XSCRXOGMVCPMDH-AWEZNQCLSA-N -1 0 307.306 -0.575 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001599073271 1017507282 /nfs/dbraw/zinc/50/72/82/1017507282.db2.gz FVRHNHHUWOCNSY-CQSZACIVSA-N -1 0 320.305 -0.353 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCCN2C(=O)CCC2=O)C1 ZINC001599073093 1017507365 /nfs/dbraw/zinc/50/73/65/1017507365.db2.gz UCNKUAVDFKQTHX-CYBMUJFWSA-N -1 0 313.310 -0.980 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001599073187 1017507402 /nfs/dbraw/zinc/50/74/02/1017507402.db2.gz VCTJGCJLLBSDSX-YGRLFVJLSA-N -1 0 323.353 -0.214 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCCCC(=O)N(C)C)C1 ZINC001599072313 1017507600 /nfs/dbraw/zinc/50/76/00/1017507600.db2.gz KIRTURNVCMRBEN-CYBMUJFWSA-N -1 0 301.343 -0.260 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001599071956 1017507881 /nfs/dbraw/zinc/50/78/81/1017507881.db2.gz ZLDSQZIDCXNKCS-JOYOIKCWSA-N -1 0 320.367 -0.599 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC001599071696 1017507905 /nfs/dbraw/zinc/50/79/05/1017507905.db2.gz GFDNHJCDIVLIFI-JOYOIKCWSA-N -1 0 320.367 -0.551 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC001599079810 1017508550 /nfs/dbraw/zinc/50/85/50/1017508550.db2.gz YMRSKLLUYBINCX-SNVBAGLBSA-N -1 0 323.758 -0.062 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN([C@H]2CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC001599076359 1017508856 /nfs/dbraw/zinc/50/88/56/1017508856.db2.gz MMNGLKFEDNCMDA-CPCISQLKSA-N -1 0 324.255 -0.148 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2CCOC[C@@H]2C)C1 ZINC001599079798 1017509401 /nfs/dbraw/zinc/50/94/01/1017509401.db2.gz XZBIPDPEAMCZFM-HOSYDEDBSA-N -1 0 307.368 -0.083 20 0 DBADRM CO[C@@]1(C(=O)OCC2(CC(=O)[O-])CC2)CCS(=O)(=O)C1 ZINC001599079899 1017509664 /nfs/dbraw/zinc/50/96/64/1017509664.db2.gz BKLLVPKGTHGWHC-LBPRGKRZSA-N -1 0 306.336 -0.012 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(Cn2nc(CO)n(C)c2=S)C1 ZINC001599078248 1017509899 /nfs/dbraw/zinc/50/98/99/1017509899.db2.gz FWGUDKDWVCPUCG-LLVKDONJSA-N -1 0 302.356 -0.424 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(Cn2nnn(-c3ccccc3)c2=O)C1 ZINC001599078775 1017509911 /nfs/dbraw/zinc/50/99/11/1017509911.db2.gz KSOSNYPCTZITTE-CQSZACIVSA-N -1 0 319.321 -0.438 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnc([C@@]3(O)CCOC3)n2C)C1 ZINC001599076701 1017510221 /nfs/dbraw/zinc/51/02/21/1017510221.db2.gz DRZGTOYTITUZAK-CHWSQXEVSA-N -1 0 312.326 -0.897 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnc([C@@]3(O)CCOC3)n2C)C1 ZINC001599076702 1017510907 /nfs/dbraw/zinc/51/09/07/1017510907.db2.gz DRZGTOYTITUZAK-OLZOCXBDSA-N -1 0 312.326 -0.897 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2CCOC[C@H]2C)C1 ZINC001599079797 1017511310 /nfs/dbraw/zinc/51/13/10/1017511310.db2.gz XZBIPDPEAMCZFM-CKYFFXLPSA-N -1 0 307.368 -0.083 20 0 DBADRM COC1(CNC(=O)NCCC(=O)NCCC(=O)[O-])CCC1 ZINC001599089875 1017513159 /nfs/dbraw/zinc/51/31/59/1017513159.db2.gz MZOHMLARXIUETO-UHFFFAOYSA-N -1 0 301.343 -0.164 20 0 DBADRM CO[C@@]1(CNC(=O)COCc2ocnc2C(=O)[O-])CCOC1 ZINC001599088514 1017513981 /nfs/dbraw/zinc/51/39/81/1017513981.db2.gz BXPUUYBFONDZSP-CYBMUJFWSA-N -1 0 314.294 -0.189 20 0 DBADRM COC1(OC)CC(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1 ZINC001599095918 1017514617 /nfs/dbraw/zinc/51/46/17/1017514617.db2.gz PWKXVJRIAUMLFY-JTQLQIEISA-N -1 0 314.338 -0.423 20 0 DBADRM CO[C@@H]1CC[C@@H]1N(C)C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599104081 1017515029 /nfs/dbraw/zinc/51/50/29/1017515029.db2.gz LOESQEHHYPOWBB-OUAUKWLOSA-N -1 0 314.338 -0.676 20 0 DBADRM COC1CC(CCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC001599093646 1017515856 /nfs/dbraw/zinc/51/58/56/1017515856.db2.gz HJHYQLGATNEJHW-ILDUYXDCSA-N -1 0 314.338 -0.770 20 0 DBADRM COC1(OC)CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C[C@H]1O ZINC001599094978 1017515871 /nfs/dbraw/zinc/51/58/71/1017515871.db2.gz NUYWGEZWKMQWNS-GWOFURMSSA-N -1 0 317.338 -0.553 20 0 DBADRM CO[C@@H]1CC[C@@H]1N(C)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599102911 1017515978 /nfs/dbraw/zinc/51/59/78/1017515978.db2.gz CRCQBESIRADUFS-VHSXEESVSA-N -1 0 301.343 -0.214 20 0 DBADRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)Cn2cnc(N)n2)C(=O)[O-])C1 ZINC001599106547 1017516073 /nfs/dbraw/zinc/51/60/73/1017516073.db2.gz HUGDTOJCTNASEJ-FXPVBKGRSA-N -1 0 311.342 -0.365 20 0 DBADRM CO[C@]1(Cn2nnnc2N2CC[C@H](C(=O)[O-])[C@@H]2C)CCOC1 ZINC001599096084 1017516423 /nfs/dbraw/zinc/51/64/23/1017516423.db2.gz QUNLQVQNTDYGBM-KWBADKCTSA-N -1 0 311.342 -0.222 20 0 DBADRM CO[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001599101624 1017516439 /nfs/dbraw/zinc/51/64/39/1017516439.db2.gz BMMASDWVRJKWDJ-HTQZYQBOSA-N -1 0 310.310 -0.260 20 0 DBADRM CO[C@H]1CCN(C(=O)CS(=O)(=O)C2CC2)[C@@H](C(=O)[O-])C1 ZINC001599120877 1017517521 /nfs/dbraw/zinc/51/75/21/1017517521.db2.gz YEMPWJDYUUCWDT-WCBMZHEXSA-N -1 0 305.352 -0.346 20 0 DBADRM CO[C@@H]1CCN(C(=O)CNC(=O)N2CCCC2)[C@@H](C(=O)[O-])C1 ZINC001599120193 1017518012 /nfs/dbraw/zinc/51/80/12/1017518012.db2.gz VLCBQBNNKYUXEU-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)[C@H](C(=O)[O-])C1 ZINC001599118879 1017518133 /nfs/dbraw/zinc/51/81/33/1017518133.db2.gz GNLLVDMCFCGANU-BBBLOLIVSA-N -1 0 305.352 -0.488 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC001599120196 1017518447 /nfs/dbraw/zinc/51/84/47/1017518447.db2.gz QCWJYMMRRAYCQB-IWSPIJDZSA-N -1 0 308.356 -0.985 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)[C@@H](C(=O)[O-])C1 ZINC001599118728 1017518463 /nfs/dbraw/zinc/51/84/63/1017518463.db2.gz DPIOHAJBKFHQPF-OPRDCNLKSA-N -1 0 324.337 -0.363 20 0 DBADRM CO[C@@H]1CCN(Cc2ccc(S(N)(=O)=O)o2)[C@H](C(=O)[O-])C1 ZINC001599122710 1017518543 /nfs/dbraw/zinc/51/85/43/1017518543.db2.gz CRWFKIFNRUBYER-SCZZXKLOSA-N -1 0 318.351 -0.009 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)[C@H](C(=O)[O-])C1 ZINC001599118725 1017518574 /nfs/dbraw/zinc/51/85/74/1017518574.db2.gz DPIOHAJBKFHQPF-BBBLOLIVSA-N -1 0 324.337 -0.363 20 0 DBADRM CO[C@H]1CCN(C(=O)c2cccc(C(N)=O)n2)[C@H](C(=O)[O-])C1 ZINC001599120908 1017519090 /nfs/dbraw/zinc/51/90/90/1017519090.db2.gz DGSXZKMUMBFTFH-KWQFWETISA-N -1 0 307.306 -0.115 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)N3CCC(O)(C(=O)[O-])CC3)nc2C1 ZINC001599127408 1017520990 /nfs/dbraw/zinc/52/09/90/1017520990.db2.gz JMSNCOLKLHFWBH-JTQLQIEISA-N -1 0 323.349 -0.104 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)N[C@@]3(C(=O)[O-])C[C@@H](O)C3)nc2C1 ZINC001599127204 1017521024 /nfs/dbraw/zinc/52/10/24/1017521024.db2.gz GYWYVCRIRFNZNB-NUPCCRGMSA-N -1 0 309.322 -0.448 20 0 DBADRM COC1CCN(S(=O)(=O)N2CCSC[C@H]2C(=O)[O-])CC1 ZINC001599124182 1017521078 /nfs/dbraw/zinc/52/10/78/1017521078.db2.gz OBOKMWYTFOSNRF-JTQLQIEISA-N -1 0 324.424 -0.156 20 0 DBADRM COC1CCN(S(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001599125382 1017521838 /nfs/dbraw/zinc/52/18/38/1017521838.db2.gz YHUUUYSIXMWIKV-LBPRGKRZSA-N -1 0 322.383 -0.577 20 0 DBADRM CO[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)[C@](C)(C(=O)[O-])C1 ZINC001599136072 1017523629 /nfs/dbraw/zinc/52/36/29/1017523629.db2.gz YVLCKHCKQHPRHN-XPTSAGLGSA-N -1 0 319.321 -0.243 20 0 DBADRM CO[C@@H]1COCC[C@H]1CNC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001599137132 1017523919 /nfs/dbraw/zinc/52/39/19/1017523919.db2.gz CCLHDLPUPKEYLV-WRWGMCAJSA-N -1 0 316.354 -0.079 20 0 DBADRM COCC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)C1 ZINC001599139591 1017525924 /nfs/dbraw/zinc/52/59/24/1017525924.db2.gz MXOGWWVVDDVOKN-GHMZBOCLSA-N -1 0 310.350 -0.196 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001599138349 1017526542 /nfs/dbraw/zinc/52/65/42/1017526542.db2.gz GYFRTGNBNBCHRS-VLEAKVRGSA-N -1 0 319.379 -0.194 20 0 DBADRM COCC(=O)NC[C@H]1COCCN1c1ncc(C(=O)[O-])cn1 ZINC001599142478 1017528341 /nfs/dbraw/zinc/52/83/41/1017528341.db2.gz CSTAKOLWWBXEMZ-JTQLQIEISA-N -1 0 310.310 -0.857 20 0 DBADRM COCC(=O)N(C)CC(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC001599142035 1017528349 /nfs/dbraw/zinc/52/83/49/1017528349.db2.gz WUSQNMRYFAVMDA-ZANVPECISA-N -1 0 302.327 -0.818 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1)C(C)C ZINC001599142692 1017528401 /nfs/dbraw/zinc/52/84/01/1017528401.db2.gz GRAAQBHEFKIFHW-FOGDFJRCSA-N -1 0 316.354 -0.526 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=S)NCCCC(=O)[O-] ZINC001599141217 1017528409 /nfs/dbraw/zinc/52/84/09/1017528409.db2.gz TYQANJMYHGELID-YUMQZZPRSA-N -1 0 310.397 -0.873 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001599141681 1017528834 /nfs/dbraw/zinc/52/88/34/1017528834.db2.gz YGTPLQQMDUKBGB-OUAUKWLOSA-N -1 0 314.338 -0.770 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NCC(=O)N=[S@@](C)(=O)N(C)C ZINC001599149415 1017529874 /nfs/dbraw/zinc/52/98/74/1017529874.db2.gz XSEWIJOLVIGWOD-BIBXISHDSA-N -1 0 309.388 -0.443 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CN1CCCCS1(=O)=O ZINC001599147395 1017529926 /nfs/dbraw/zinc/52/99/26/1017529926.db2.gz UWOXJVAXJJVENL-GFCCVEGCSA-N -1 0 322.383 -0.592 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CN1CCCCC(=O)C1=O ZINC001599146784 1017530015 /nfs/dbraw/zinc/53/00/15/1017530015.db2.gz CTBZFSMJIDPUEX-CQSZACIVSA-N -1 0 314.338 -0.436 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CNC(=O)c1ccncc1 ZINC001599147075 1017530049 /nfs/dbraw/zinc/53/00/49/1017530049.db2.gz KJCCZGOAZNVTEE-CQSZACIVSA-N -1 0 309.322 -0.193 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1CCN=C2C1=NNN2C ZINC001599146849 1017530065 /nfs/dbraw/zinc/53/00/65/1017530065.db2.gz YOQJXGOWYBIEIB-AMIZOPFISA-N -1 0 311.342 -0.793 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NCC(=O)N=[S@](C)(=O)N(C)C ZINC001599149418 1017530098 /nfs/dbraw/zinc/53/00/98/1017530098.db2.gz XSEWIJOLVIGWOD-YBTHPKLGSA-N -1 0 309.388 -0.443 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)C1CCS(=O)(=O)CC1 ZINC001599146613 1017530422 /nfs/dbraw/zinc/53/04/22/1017530422.db2.gz XTRWFJKFUXQSLA-LBPRGKRZSA-N -1 0 307.368 -0.193 20 0 DBADRM COC[C@@](C)(O)CCNC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001599157291 1017534679 /nfs/dbraw/zinc/53/46/79/1017534679.db2.gz YIJHTZSQLIFTGB-BREBYQMCSA-N -1 0 304.343 -0.343 20 0 DBADRM COC[C@@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001599156176 1017534692 /nfs/dbraw/zinc/53/46/92/1017534692.db2.gz BECAIOVBBWRMTD-NSHDSACASA-N -1 0 306.340 -0.601 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001599147190 1017530944 /nfs/dbraw/zinc/53/09/44/1017530944.db2.gz PFIVKKUYUBTVBC-ISTVAULSSA-N -1 0 316.354 -0.205 20 0 DBADRM COCC(=O)NCCN1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001599143654 1017531117 /nfs/dbraw/zinc/53/11/17/1017531117.db2.gz YPHQZSPTCXGKEK-UHFFFAOYSA-N -1 0 323.353 -0.941 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NCC(=O)N=[S@@](C)(=O)N(C)C ZINC001599149417 1017531208 /nfs/dbraw/zinc/53/12/08/1017531208.db2.gz XSEWIJOLVIGWOD-PRWKNARSSA-N -1 0 309.388 -0.443 20 0 DBADRM COC[C@@](C)(NC(=O)c1ccnc(N2CCOCC2)n1)C(=O)[O-] ZINC001599153094 1017531782 /nfs/dbraw/zinc/53/17/82/1017531782.db2.gz VYPQWTALQRUYSS-CQSZACIVSA-N -1 0 324.337 -0.467 20 0 DBADRM COC[C@](C)(NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C(=O)OC ZINC001599151951 1017532596 /nfs/dbraw/zinc/53/25/96/1017532596.db2.gz JWLMGXBAYSRHIZ-LHGDZMGGSA-N -1 0 303.311 -0.441 20 0 DBADRM COC[C@](C)(NC(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001599152090 1017532516 /nfs/dbraw/zinc/53/25/16/1017532516.db2.gz WWLASMPGDVVEMV-SKDRFNHKSA-N -1 0 307.368 -0.193 20 0 DBADRM COC[C@@](C)(NCC(=O)NC(=O)NCC(F)(F)F)C(=O)[O-] ZINC001599154895 1017532696 /nfs/dbraw/zinc/53/26/96/1017532696.db2.gz ZOKAWJNKNRAGEI-SECBINFHSA-N -1 0 315.248 -0.546 20 0 DBADRM COC/C(C)=C\C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001599155799 1017532988 /nfs/dbraw/zinc/53/29/88/1017532988.db2.gz NPDDKDRQFQNZHT-BSKOKIOFSA-N -1 0 305.352 -0.321 20 0 DBADRM COC[C@@](C)(NC(=O)CCc1ocnc1C(=O)OC)C(=O)[O-] ZINC001599153257 1017533230 /nfs/dbraw/zinc/53/32/30/1017533230.db2.gz KJQSNIAYFMWYDK-CYBMUJFWSA-N -1 0 314.294 0.000 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001599156552 1017535010 /nfs/dbraw/zinc/53/50/10/1017535010.db2.gz MHNOIIKFZQRNHV-JBLDHEPKSA-N -1 0 309.384 -0.053 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CCOC[C@@H]1CC(=O)[O-] ZINC001599162401 1017533985 /nfs/dbraw/zinc/53/39/85/1017533985.db2.gz VWAQUIBTHBWDSJ-UWVGGRQHSA-N -1 0 317.342 -0.977 20 0 DBADRM COC[C@@](C)(O)CNC(=O)COCc1ocnc1C(=O)[O-] ZINC001599156635 1017534807 /nfs/dbraw/zinc/53/48/07/1017534807.db2.gz NBMOKQIYMNTRDF-LBPRGKRZSA-N -1 0 302.283 -0.597 20 0 DBADRM COC[C@H]([C@H]1CCCO1)N1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC001599158311 1017535643 /nfs/dbraw/zinc/53/56/43/1017535643.db2.gz ADUIQIIMBHVNLO-ILAIQSSSSA-N -1 0 312.322 -0.179 20 0 DBADRM COCC(COC)N1CCN(C(=O)[C@H](C)CC(=O)[O-])CC1 ZINC001599165217 1017536686 /nfs/dbraw/zinc/53/66/86/1017536686.db2.gz VHDOVVLNJLSHHN-LLVKDONJSA-N -1 0 302.371 -0.097 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001599164538 1017538119 /nfs/dbraw/zinc/53/81/19/1017538119.db2.gz MORGRBCDLFNGOR-SECBINFHSA-N -1 0 307.299 -0.191 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CCOC[C@@H]1CC(=O)[O-] ZINC001599162403 1017538278 /nfs/dbraw/zinc/53/82/78/1017538278.db2.gz VWAQUIBTHBWDSJ-ZJUUUORDSA-N -1 0 317.342 -0.977 20 0 DBADRM COC[C@H](NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1)C(N)=O ZINC001599167341 1017539170 /nfs/dbraw/zinc/53/91/70/1017539170.db2.gz RTWJIEUHRPKKEY-JRPNMDOOSA-N -1 0 306.318 -0.139 20 0 DBADRM COC[C@@H](CO)NC(=O)C(=O)Nc1cc(C)sc1C(=O)[O-] ZINC001599167408 1017539343 /nfs/dbraw/zinc/53/93/43/1017539343.db2.gz UWZYGHGJUUJXFN-SSDOTTSWSA-N -1 0 316.335 -0.183 20 0 DBADRM COC[C@H](NC(=O)[C@@H](C)Sc1nnnn1C1CC1)C(=O)[O-] ZINC001599165945 1017539518 /nfs/dbraw/zinc/53/95/18/1017539518.db2.gz HOLZPOWTDWHTDI-SVRRBLITSA-N -1 0 315.355 -0.296 20 0 DBADRM COC[C@H](NC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)[O-] ZINC001599167147 1017540542 /nfs/dbraw/zinc/54/05/42/1017540542.db2.gz IEZQLUDUNKPRDS-ONGXEEELSA-N -1 0 308.290 -0.008 20 0 DBADRM COC[C@@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)C(=O)[O-] ZINC001599169522 1017541004 /nfs/dbraw/zinc/54/10/04/1017541004.db2.gz CVOKWCNTDJLTPH-SECBINFHSA-N -1 0 321.289 -0.682 20 0 DBADRM COC[C@@H](NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1)C(C)C ZINC001599169725 1017541554 /nfs/dbraw/zinc/54/15/54/1017541554.db2.gz NNDAZRKBAPTXDO-WDEREUQCSA-N -1 0 316.354 -0.524 20 0 DBADRM COC[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-] ZINC001599170195 1017541969 /nfs/dbraw/zinc/54/19/69/1017541969.db2.gz NYDICKFUOCICQV-SNVBAGLBSA-N -1 0 306.278 -0.993 20 0 DBADRM COC[C@H](NC(=O)CCc1nc(-c2ncccn2)no1)C(=O)[O-] ZINC001599169596 1017542062 /nfs/dbraw/zinc/54/20/62/1017542062.db2.gz YYGCZEBDRPYTQD-QMMMGPOBSA-N -1 0 321.293 -0.325 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)OC ZINC001599177958 1017543969 /nfs/dbraw/zinc/54/39/69/1017543969.db2.gz SEJXPAZHBDIEKR-JTQLQIEISA-N -1 0 317.319 -0.149 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccccc1C(=O)[O-])C(=O)OC ZINC001599177818 1017544391 /nfs/dbraw/zinc/54/43/91/1017544391.db2.gz GTKHMVAOUAXZAF-VIFPVBQESA-N -1 0 317.319 -0.149 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C(N)=O ZINC001599178356 1017544638 /nfs/dbraw/zinc/54/46/38/1017544638.db2.gz PFCMIWYAKALVEM-RXMQYKEDSA-N -1 0 308.337 -0.775 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1C)C(=O)OC ZINC001599176978 1017544826 /nfs/dbraw/zinc/54/48/26/1017544826.db2.gz FYCOUZVMTLVYTB-SSDOTTSWSA-N -1 0 321.307 -0.247 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)OC ZINC001599177959 1017544836 /nfs/dbraw/zinc/54/48/36/1017544836.db2.gz SEJXPAZHBDIEKR-SNVBAGLBSA-N -1 0 317.319 -0.149 20 0 DBADRM COCC1(C(=O)NC[C@H](C)Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001599183112 1017545789 /nfs/dbraw/zinc/54/57/89/1017545789.db2.gz BHFJVRWZKCNOQV-VIFPVBQESA-N -1 0 308.338 -0.060 20 0 DBADRM COC[C@H](OC)C(=O)NC[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001599180670 1017545808 /nfs/dbraw/zinc/54/58/08/1017545808.db2.gz AEDINIZOBNPNTA-SCZZXKLOSA-N -1 0 312.326 -0.247 20 0 DBADRM COC[C@@H](OC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(=O)[O-] ZINC001599181878 1017545845 /nfs/dbraw/zinc/54/58/45/1017545845.db2.gz XNPICTWRXFDBIM-KXUCPTDWSA-N -1 0 311.290 -0.420 20 0 DBADRM COC[C@H](OC)C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001599180947 1017545932 /nfs/dbraw/zinc/54/59/32/1017545932.db2.gz DPWXUJGNSFRIJU-VIFPVBQESA-N -1 0 323.367 -0.814 20 0 DBADRM COC[C@H](OC)C(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001599180920 1017546383 /nfs/dbraw/zinc/54/63/83/1017546383.db2.gz DAKVDDHZFOLHCB-NSHDSACASA-N -1 0 324.337 -0.515 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CC1SC(=N)NC1=O ZINC001599190863 1017548452 /nfs/dbraw/zinc/54/84/52/1017548452.db2.gz LRSIYRQMCFACIM-KRTXAFLBSA-N -1 0 315.351 -0.365 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1c1nnnn1C[C@H]1CCOC1 ZINC001599196251 1017550407 /nfs/dbraw/zinc/55/04/07/1017550407.db2.gz XFLWGJMHRDDQIK-ZWNOBZJWSA-N -1 0 311.342 -0.220 20 0 DBADRM COC[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)C1 ZINC001599203869 1017551609 /nfs/dbraw/zinc/55/16/09/1017551609.db2.gz OIFFLBFQAFZLSU-YGRLFVJLSA-N -1 0 314.338 -0.817 20 0 DBADRM COCC[C@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC001599214895 1017555729 /nfs/dbraw/zinc/55/57/29/1017555729.db2.gz NNGSLALABPAIPW-UTLUCORTSA-N -1 0 302.327 -0.595 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C[C@@H](C)O1 ZINC001599206247 1017552809 /nfs/dbraw/zinc/55/28/09/1017552809.db2.gz FCWYIGXLJKMUOT-YTWAJWBKSA-N -1 0 314.338 -0.914 20 0 DBADRM COC[C@H]1CN([C@H]2CCCN(CCC(=O)[O-])C2=O)CCO1 ZINC001599206030 1017552990 /nfs/dbraw/zinc/55/29/90/1017552990.db2.gz XMOIYCGUVHEWIK-NEPJUHHUSA-N -1 0 300.355 -0.201 20 0 DBADRM COCCC(=O)NC[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001599206881 1017553157 /nfs/dbraw/zinc/55/31/57/1017553157.db2.gz CPXIKVPMWKBJQW-AOOOYVTPSA-N -1 0 308.338 -0.060 20 0 DBADRM COCCC(=O)N1CCO[C@H](CNc2ncc(C(=O)[O-])cn2)C1 ZINC001599207276 1017553355 /nfs/dbraw/zinc/55/33/55/1017553355.db2.gz KIPWEUGCGWGABP-LLVKDONJSA-N -1 0 324.337 -0.149 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C[C@@H](C)O1 ZINC001599206246 1017553488 /nfs/dbraw/zinc/55/34/88/1017553488.db2.gz FCWYIGXLJKMUOT-RCWTZXSCSA-N -1 0 314.338 -0.914 20 0 DBADRM COCCC(=O)COC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001599208240 1017553795 /nfs/dbraw/zinc/55/37/95/1017553795.db2.gz LZXRWUCGYSPNPG-SNVBAGLBSA-N -1 0 301.295 -0.542 20 0 DBADRM COC[C@@H]1COCCN1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599208257 1017554083 /nfs/dbraw/zinc/55/40/83/1017554083.db2.gz QZFJWKOBDYMWNK-LPEHRKFASA-N -1 0 317.342 -0.979 20 0 DBADRM COC[C@@H]1CCCCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001599204299 1017554218 /nfs/dbraw/zinc/55/42/18/1017554218.db2.gz DYXMAISCOOGWII-ZJUUUORDSA-N -1 0 304.318 -0.200 20 0 DBADRM COCC[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C(=O)[O-] ZINC001599214300 1017555046 /nfs/dbraw/zinc/55/50/46/1017555046.db2.gz HPWCRLUGLCLDHK-YFKPBYRVSA-N -1 0 301.255 -0.884 20 0 DBADRM COCC[C@H](CO)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001599212819 1017555208 /nfs/dbraw/zinc/55/52/08/1017555208.db2.gz ZQQRPISQQZWFAJ-SECBINFHSA-N -1 0 318.351 -0.236 20 0 DBADRM COCC[C@@H](C)NC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599210314 1017555365 /nfs/dbraw/zinc/55/53/65/1017555365.db2.gz IEGULZHIYOQLTC-KOLCDFICSA-N -1 0 316.354 -0.788 20 0 DBADRM COCC[C@H](CO)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001599211799 1017555866 /nfs/dbraw/zinc/55/58/66/1017555866.db2.gz KCFJKADTNOGBNY-MRVPVSSYSA-N -1 0 302.283 -0.597 20 0 DBADRM COCC[C@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001599209606 1017555890 /nfs/dbraw/zinc/55/58/90/1017555890.db2.gz HSFKWQHUQKIDBF-LBPRGKRZSA-N -1 0 320.367 -0.211 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1cnc(N)c(C)c1)C(=O)[O-] ZINC001599216620 1017556933 /nfs/dbraw/zinc/55/69/33/1017556933.db2.gz DGSAKYHULIXQCM-VIFPVBQESA-N -1 0 303.340 -0.260 20 0 DBADRM COCC[C@@H](NC(=O)c1cn(Cc2ccccn2)nn1)C(=O)[O-] ZINC001599217379 1017557040 /nfs/dbraw/zinc/55/70/40/1017557040.db2.gz MKVMTXBIOWJCKR-LLVKDONJSA-N -1 0 319.321 -0.059 20 0 DBADRM COCC[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)C(N)=O ZINC001599218656 1017557062 /nfs/dbraw/zinc/55/70/62/1017557062.db2.gz KBCTZJANTIHVHS-VIFPVBQESA-N -1 0 322.383 -0.559 20 0 DBADRM COCC[C@H](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001599217650 1017557206 /nfs/dbraw/zinc/55/72/06/1017557206.db2.gz LRFQOQKSIWLAEN-ZJUUUORDSA-N -1 0 320.367 -0.841 20 0 DBADRM COCC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)cn1)C(=O)[O-] ZINC001599215904 1017557241 /nfs/dbraw/zinc/55/72/41/1017557241.db2.gz DPMWLDPKEWYENE-SECBINFHSA-N -1 0 306.282 -0.519 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(N)=O ZINC001599218591 1017558555 /nfs/dbraw/zinc/55/85/55/1017558555.db2.gz JKIWIAGAYIFBDQ-ZETCQYMHSA-N -1 0 320.323 -0.545 20 0 DBADRM COCCCNC(=O)CN1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599226545 1017560345 /nfs/dbraw/zinc/56/03/45/1017560345.db2.gz ARBWKVOQTUCMII-SNVBAGLBSA-N -1 0 311.342 -0.624 20 0 DBADRM COCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001599224438 1017560377 /nfs/dbraw/zinc/56/03/77/1017560377.db2.gz QEHQHCDUDCNEKA-OQEOFVATSA-N -1 0 310.350 -0.293 20 0 DBADRM COCCCC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001599223536 1017560522 /nfs/dbraw/zinc/56/05/22/1017560522.db2.gz HILRFIYUVIORSQ-ZJUUUORDSA-N -1 0 324.337 -0.733 20 0 DBADRM COCCCn1ccc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)n1 ZINC001599229438 1017561433 /nfs/dbraw/zinc/56/14/33/1017561433.db2.gz IOHCOUINGNAXIL-UHFFFAOYSA-N -1 0 324.337 -0.018 20 0 DBADRM COCCCNC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001599225213 1017561450 /nfs/dbraw/zinc/56/14/50/1017561450.db2.gz BJNCNBSLWCATIF-IINYFYTJSA-N -1 0 314.338 -0.911 20 0 DBADRM COCCN(C)CCNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001599231965 1017562568 /nfs/dbraw/zinc/56/25/68/1017562568.db2.gz JAERXSXHYWMUOF-UHFFFAOYSA-N -1 0 319.383 -0.420 20 0 DBADRM COCCCn1nc(C(=O)N2CC(C)(C(=O)[O-])C2)ccc1=O ZINC001599230361 1017563475 /nfs/dbraw/zinc/56/34/75/1017563475.db2.gz YWOAPSKJVXRYNM-UHFFFAOYSA-N -1 0 309.322 -0.174 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1 ZINC001599233877 1017564399 /nfs/dbraw/zinc/56/43/99/1017564399.db2.gz LWFPJAGOPQRKRQ-LBPRGKRZSA-N -1 0 324.337 -0.219 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001599232241 1017564771 /nfs/dbraw/zinc/56/47/71/1017564771.db2.gz PWYYZBFFVFJUNW-VIFPVBQESA-N -1 0 312.413 -0.441 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@]1(F)CCS(=O)(=O)C1 ZINC001599235394 1017566294 /nfs/dbraw/zinc/56/62/94/1017566294.db2.gz MRXCTSQQWRBPGJ-LLVKDONJSA-N -1 0 311.331 -0.537 20 0 DBADRM COCCN1CCCN(CN2C[C@@H](C(=O)[O-])CC2=O)CC1=O ZINC001599241145 1017567080 /nfs/dbraw/zinc/56/70/80/1017567080.db2.gz YGODHVDAWUQFFD-NSHDSACASA-N -1 0 313.354 -0.942 20 0 DBADRM COCCNC(=O)CN1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001599242788 1017567932 /nfs/dbraw/zinc/56/79/32/1017567932.db2.gz VIOXLHVFYJOMIL-UHFFFAOYSA-N -1 0 323.353 -0.941 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)CC1=O ZINC001599241688 1017568114 /nfs/dbraw/zinc/56/81/14/1017568114.db2.gz ZETOQDBKJNKTNL-HZMBPMFUSA-N -1 0 314.338 -0.817 20 0 DBADRM COCCN1CCCN(C(=O)CCSCC(=O)[O-])CC1=O ZINC001599240656 1017569100 /nfs/dbraw/zinc/56/91/00/1017569100.db2.gz OLURWGYXNLOQMZ-UHFFFAOYSA-N -1 0 318.395 -0.098 20 0 DBADRM COCCN1C[C@H](C(=O)OCC(=O)C(C)(C)C(=O)[O-])CC1=O ZINC001599240583 1017569108 /nfs/dbraw/zinc/56/91/08/1017569108.db2.gz QROHYPCSXNAFJS-SECBINFHSA-N -1 0 315.322 -0.296 20 0 DBADRM COCCN1CCCN(Cc2cnc(C(=O)[O-])cn2)CC1=O ZINC001599240731 1017569465 /nfs/dbraw/zinc/56/94/65/1017569465.db2.gz QMRCGVZFKYYQBA-UHFFFAOYSA-N -1 0 308.338 -0.145 20 0 DBADRM COCCNc1nc(CC(=O)NC[C@@](C)(O)C(=O)[O-])cs1 ZINC001599247264 1017570824 /nfs/dbraw/zinc/57/08/24/1017570824.db2.gz VRSRVYAYRUZHRY-GFCCVEGCSA-N -1 0 317.367 -0.304 20 0 DBADRM COCCO[C@H]1C[C@H](CO)CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599246892 1017571649 /nfs/dbraw/zinc/57/16/49/1017571649.db2.gz KUJPRUADOASJKR-FIQHERPVSA-N -1 0 301.339 -0.421 20 0 DBADRM COCCOC[C@@H](C)NC(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001599250059 1017571874 /nfs/dbraw/zinc/57/18/74/1017571874.db2.gz UAONULYYDCYCKX-MFKMUULPSA-N -1 0 304.343 -0.077 20 0 DBADRM COCCO[C@@H](C)c1nnc(N2CCO[C@H](C(=O)[O-])C2)n1C ZINC001599249665 1017572076 /nfs/dbraw/zinc/57/20/76/1017572076.db2.gz ZNWQORLRUCHRGD-UWVGGRQHSA-N -1 0 314.342 -0.171 20 0 DBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001599247531 1017572153 /nfs/dbraw/zinc/57/21/53/1017572153.db2.gz OQXKQSVTSRCWTQ-FVCCEPFGSA-N -1 0 315.366 -0.030 20 0 DBADRM COCCOC[C@H](C)NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599249781 1017572441 /nfs/dbraw/zinc/57/24/41/1017572441.db2.gz NWPTVPKJHIWZTJ-JQWIXIFHSA-N -1 0 318.370 -0.095 20 0 DBADRM COCCOCCS(=O)(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001599251479 1017572829 /nfs/dbraw/zinc/57/28/29/1017572829.db2.gz HTZDPWNNEIJQQR-NSHDSACASA-N -1 0 311.356 -0.845 20 0 DBADRM COCCOCCN(CCO)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001599250651 1017573436 /nfs/dbraw/zinc/57/34/36/1017573436.db2.gz OGJQKZRVNFRCTB-NWDGAFQWSA-N -1 0 303.355 -0.029 20 0 DBADRM COCCOCCNC(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001599251674 1017573693 /nfs/dbraw/zinc/57/36/93/1017573693.db2.gz VKLYCNKZYJPVBW-GHMZBOCLSA-N -1 0 316.354 -0.665 20 0 DBADRM COCCOCCC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001599250901 1017574065 /nfs/dbraw/zinc/57/40/65/1017574065.db2.gz GJFGPTWPVMYZDI-GHMZBOCLSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCOCCN1CCN(c2cncc(C(=O)[O-])n2)CC1 ZINC001599251231 1017574582 /nfs/dbraw/zinc/57/45/82/1017574582.db2.gz CTJMRPTYLCAJEH-UHFFFAOYSA-N -1 0 310.354 -0.040 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC001599262527 1017575718 /nfs/dbraw/zinc/57/57/18/1017575718.db2.gz XTCQVZZTZHLMQW-NXEZZACHSA-N -1 0 307.368 -0.241 20 0 DBADRM COCCn1c([C@@H](C)CO)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001599265114 1017575784 /nfs/dbraw/zinc/57/57/84/1017575784.db2.gz IEXVDWVPUMTSQT-UWVGGRQHSA-N -1 0 314.342 -0.690 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001599262454 1017576163 /nfs/dbraw/zinc/57/61/63/1017576163.db2.gz SVUNMRDHDDIKDL-SNVBAGLBSA-N -1 0 311.381 -0.876 20 0 DBADRM COCCn1c(C)nnc1N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001599268130 1017576178 /nfs/dbraw/zinc/57/61/78/1017576178.db2.gz LPHLQEINRNVJNZ-UWVGGRQHSA-N -1 0 312.326 -0.457 20 0 DBADRM COCCS(=O)(=O)CC(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC001599262445 1017576441 /nfs/dbraw/zinc/57/64/41/1017576441.db2.gz SPMBKIFRQQOYMD-VIFPVBQESA-N -1 0 307.368 -0.098 20 0 DBADRM COCCn1c(COC)nnc1N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001599269576 1017576859 /nfs/dbraw/zinc/57/68/59/1017576859.db2.gz VZQIMOJMHVJEGK-ZDUSSCGKSA-N -1 0 314.342 -0.249 20 0 DBADRM COCCc1noc(CN2[C@H](C(=O)[O-])CCS2(=O)=O)n1 ZINC001599264949 1017577008 /nfs/dbraw/zinc/57/70/08/1017577008.db2.gz LBKZOHQGJCAMSK-ZETCQYMHSA-N -1 0 305.312 -0.753 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001599315588 1017586558 /nfs/dbraw/zinc/58/65/58/1017586558.db2.gz ZFMNKYWWFLHUNC-LPEHRKFASA-N -1 0 302.327 -0.219 20 0 DBADRM COCCn1ncc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])c1C ZINC001599274090 1017578186 /nfs/dbraw/zinc/57/81/86/1017578186.db2.gz WTWGYGICJJAALI-GFCCVEGCSA-N -1 0 321.337 -0.082 20 0 DBADRM COCCn1ncc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1C ZINC001599273623 1017578318 /nfs/dbraw/zinc/57/83/18/1017578318.db2.gz KHUAYUYYVKTHCS-MNOVXSKESA-N -1 0 311.338 -0.254 20 0 DBADRM COCCn1cc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c(=O)cc1C ZINC001599272103 1017578353 /nfs/dbraw/zinc/57/83/53/1017578353.db2.gz OQJVRVXLMYEKOX-ZYHUDNBSSA-N -1 0 324.333 -0.537 20 0 DBADRM COCCn1cc(S(=O)(=O)NCC(F)(F)C(=O)[O-])cn1 ZINC001599272972 1017579045 /nfs/dbraw/zinc/57/90/45/1017579045.db2.gz SYTCJCAKNUNNOP-UHFFFAOYSA-N -1 0 313.282 -0.472 20 0 DBADRM COCCn1cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])ccc1=O ZINC001599272531 1017579195 /nfs/dbraw/zinc/57/91/95/1017579195.db2.gz RQBUMIJGCZKTRT-MNOVXSKESA-N -1 0 310.306 -0.845 20 0 DBADRM COCCn1cc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)nn1 ZINC001599271857 1017579361 /nfs/dbraw/zinc/57/93/61/1017579361.db2.gz LZFOLUZWPALRJO-IINYFYTJSA-N -1 0 324.337 -0.512 20 0 DBADRM COC[C@@H](C(N)=O)N(C)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001599277749 1017580810 /nfs/dbraw/zinc/58/08/10/1017580810.db2.gz MEPCMXFTLRTDPY-AEJSXWLSSA-N -1 0 302.327 -0.785 20 0 DBADRM COCc1cc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)no1 ZINC001599279885 1017581464 /nfs/dbraw/zinc/58/14/64/1017581464.db2.gz ZZSZLYSGQCSXRY-UHFFFAOYSA-N -1 0 321.293 -0.427 20 0 DBADRM COCc1noc(CNCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001599307882 1017582806 /nfs/dbraw/zinc/58/28/06/1017582806.db2.gz HHIFXQCTFOJHPT-DTWKUNHWSA-N -1 0 312.326 -0.515 20 0 DBADRM COCn1nccc1S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])[C@H]2C[C@H]21 ZINC001599309424 1017582825 /nfs/dbraw/zinc/58/28/25/1017582825.db2.gz XSMWFANTAKXALJ-QCLAVDOMSA-N -1 0 315.351 -0.126 20 0 DBADRM COCc1n[nH]c(CNC(=O)Nc2cc(C(=O)[O-])n(C)n2)n1 ZINC001599306426 1017583364 /nfs/dbraw/zinc/58/33/64/1017583364.db2.gz SQGYKDJDNUNKMB-UHFFFAOYSA-N -1 0 309.286 -0.296 20 0 DBADRM COCc1n[nH]c(CNC(=O)Cc2ccc(C(=O)[O-])nc2)n1 ZINC001599306163 1017584013 /nfs/dbraw/zinc/58/40/13/1017584013.db2.gz IEWCWAGZYGQKRD-UHFFFAOYSA-N -1 0 305.294 -0.097 20 0 DBADRM COCc1nsc(N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)n1 ZINC001599306692 1017584240 /nfs/dbraw/zinc/58/42/40/1017584240.db2.gz FZGHQQBIWSFCGH-NKWVEPMBSA-N -1 0 301.324 -0.006 20 0 DBADRM COCn1nccc1S(=O)(=O)N[C@@](C)(COC)C(=O)[O-] ZINC001599307623 1017584925 /nfs/dbraw/zinc/58/49/25/1017584925.db2.gz CULGKQRUEVITRS-JTQLQIEISA-N -1 0 307.328 -0.745 20 0 DBADRM CON1CCC(NC(=O)C(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001599319093 1017585735 /nfs/dbraw/zinc/58/57/35/1017585735.db2.gz SKYOARHOMBQHRX-UHFFFAOYSA-N -1 0 322.321 -0.140 20 0 DBADRM CON(C(=O)CCSc1nnnn1C)[C@H](C)CC(=O)[O-] ZINC001599309791 1017585796 /nfs/dbraw/zinc/58/57/96/1017585796.db2.gz LGQFYTLAZUBJTO-SSDOTTSWSA-N -1 0 303.344 -0.055 20 0 DBADRM CON(C)C(=O)[C@@H](C)NS(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001599314435 1017586239 /nfs/dbraw/zinc/58/62/39/1017586239.db2.gz DJGIWCODYYDDGW-XNWIYYODSA-N -1 0 322.383 -0.043 20 0 DBADRM CON(C)CCNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001599316992 1017586408 /nfs/dbraw/zinc/58/64/08/1017586408.db2.gz XMUGJSOEWFITBI-UHFFFAOYSA-N -1 0 301.324 -0.006 20 0 DBADRM CON(C)C(=O)[C@H](C)N1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001599315087 1017586500 /nfs/dbraw/zinc/58/65/00/1017586500.db2.gz MFORRPNEVLHRCK-YIZRAAEISA-N -1 0 313.310 -0.478 20 0 DBADRM CON(C(=O)c1ccnc2c(C(N)=O)cnn21)[C@H](C)CC(=O)[O-] ZINC001599312028 1017586746 /nfs/dbraw/zinc/58/67/46/1017586746.db2.gz BJSPLNVWOZWJPW-SSDOTTSWSA-N -1 0 321.293 -0.305 20 0 DBADRM CON1CCC(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])CC1 ZINC001599318673 1017586999 /nfs/dbraw/zinc/58/69/99/1017586999.db2.gz OQUQNEWMUJUREB-NSHDSACASA-N -1 0 313.354 -0.548 20 0 DBADRM CON1CCC(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CC1 ZINC001599318815 1017587124 /nfs/dbraw/zinc/58/71/24/1017587124.db2.gz RVDJUMZYUOTJMO-LLVKDONJSA-N -1 0 316.354 -0.018 20 0 DBADRM CON1CCC(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC001599319075 1017587175 /nfs/dbraw/zinc/58/71/75/1017587175.db2.gz RWQCWEQYCKLQBY-NSHDSACASA-N -1 0 301.343 -0.103 20 0 DBADRM CO[C@H](C)CNC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001599323680 1017588405 /nfs/dbraw/zinc/58/84/05/1017588405.db2.gz HZHPEAQRNVTMGI-WDEREUQCSA-N -1 0 315.370 -0.855 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001599322108 1017588997 /nfs/dbraw/zinc/58/89/97/1017588997.db2.gz HFAWHROKRWOORT-GHMZBOCLSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001599322909 1017589358 /nfs/dbraw/zinc/58/93/58/1017589358.db2.gz YFCPHITUTNTQRM-YTWAJWBKSA-N -1 0 307.368 -0.037 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001599322931 1017589452 /nfs/dbraw/zinc/58/94/52/1017589452.db2.gz ZAPIBTSGXYJERE-RKDXNWHRSA-N -1 0 311.294 -0.510 20 0 DBADRM COc1c2cnn(C)c2ncc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001599327979 1017590795 /nfs/dbraw/zinc/59/07/95/1017590795.db2.gz AVIFSYPFQUGDQA-JTQLQIEISA-N -1 0 320.305 -0.098 20 0 DBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 ZINC001599383641 1017596945 /nfs/dbraw/zinc/59/69/45/1017596945.db2.gz VVANJHYHTWKTCI-WDSKDSINSA-N -1 0 323.348 -0.819 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)NCCSCC(=O)[O-] ZINC001599329428 1017591469 /nfs/dbraw/zinc/59/14/69/1017591469.db2.gz ZHVPYBICSFISHV-UHFFFAOYSA-N -1 0 303.296 -0.556 20 0 DBADRM CO[C@@H]1CN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C[C@@H]1OC ZINC001599325963 1017591989 /nfs/dbraw/zinc/59/19/89/1017591989.db2.gz VXMLIRAKSRFWRP-SDDRHHMPSA-N -1 0 302.371 -0.053 20 0 DBADRM CO[C@@]1(C)C[C@H]1n1nnnc1N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001599324277 1017592045 /nfs/dbraw/zinc/59/20/45/1017592045.db2.gz YSCPWAROYVJRKE-GIFSMMMISA-N -1 0 323.353 -0.050 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599324196 1017593169 /nfs/dbraw/zinc/59/31/69/1017593169.db2.gz UWTUTVKQVZVGPN-MXWKQRLJSA-N -1 0 302.327 -0.733 20 0 DBADRM COc1cc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])nn1C ZINC001599353364 1017593919 /nfs/dbraw/zinc/59/39/19/1017593919.db2.gz WOKJCOOMJDJDCH-QMMMGPOBSA-N -1 0 313.310 -0.235 20 0 DBADRM COc1cc(C(=O)NCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])ccn1 ZINC001599354336 1017594014 /nfs/dbraw/zinc/59/40/14/1017594014.db2.gz QPOOZTQWZNRAAA-WDEREUQCSA-N -1 0 321.333 -0.001 20 0 DBADRM COc1c(NCCCN2C(=O)CNC2=O)ncnc1C(=O)[O-] ZINC001599343963 1017594414 /nfs/dbraw/zinc/59/44/14/1017594414.db2.gz CGCIYPFOHOAHPB-UHFFFAOYSA-N -1 0 309.282 -0.463 20 0 DBADRM COc1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)on1 ZINC001599349887 1017594555 /nfs/dbraw/zinc/59/45/55/1017594555.db2.gz IQGUPZVDGTVGMT-RKDXNWHRSA-N -1 0 323.305 -0.313 20 0 DBADRM COc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])ccn1 ZINC001599351456 1017594761 /nfs/dbraw/zinc/59/47/61/1017594761.db2.gz UOZXJNFAUKMKDF-VIFPVBQESA-N -1 0 314.319 -0.586 20 0 DBADRM COc1cc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])ccn1 ZINC001599354334 1017595548 /nfs/dbraw/zinc/59/55/48/1017595548.db2.gz QPOOZTQWZNRAAA-MNOVXSKESA-N -1 0 321.333 -0.001 20 0 DBADRM COc1cc(F)cc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001599425700 1017596453 /nfs/dbraw/zinc/59/64/53/1017596453.db2.gz KIBUPXCSURUNLX-VIFPVBQESA-N -1 0 314.269 -0.275 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)NC[C@@H](O)CC(=O)[O-] ZINC001599426741 1017596891 /nfs/dbraw/zinc/59/68/91/1017596891.db2.gz CGFRAVKPDURHEJ-QMMMGPOBSA-N -1 0 307.299 -0.052 20 0 DBADRM COc1cc(NC(=O)C(=O)NC/C=C\CO)ccc1C(=O)[O-] ZINC001599428766 1017597329 /nfs/dbraw/zinc/59/73/29/1017597329.db2.gz BTXTZSWTLMABHJ-IHWYPQMZSA-N -1 0 308.290 -0.003 20 0 DBADRM COc1cc(CC(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])ccn1 ZINC001599400430 1017597438 /nfs/dbraw/zinc/59/74/38/1017597438.db2.gz ILKKPUAXINFJBM-WDEREUQCSA-N -1 0 321.333 -0.414 20 0 DBADRM COc1cc(CO)ccc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001599417986 1017597777 /nfs/dbraw/zinc/59/77/77/1017597777.db2.gz VMCMTRGNKMKAJZ-NSHDSACASA-N -1 0 322.317 -0.397 20 0 DBADRM COc1cc(CC(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])ccn1 ZINC001599400428 1017598197 /nfs/dbraw/zinc/59/81/97/1017598197.db2.gz ILKKPUAXINFJBM-QWRGUYRKSA-N -1 0 321.333 -0.414 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)NC[C@H](O)CC(=O)[O-] ZINC001599426740 1017598298 /nfs/dbraw/zinc/59/82/98/1017598298.db2.gz CGFRAVKPDURHEJ-MRVPVSSYSA-N -1 0 307.299 -0.052 20 0 DBADRM COc1ccc(C(=O)N[C@](C)(CO)C(=O)[O-])cc1OCCO ZINC001599482988 1017599407 /nfs/dbraw/zinc/59/94/07/1017599407.db2.gz LIBMNLAAWOKERM-CQSZACIVSA-N -1 0 313.306 -0.368 20 0 DBADRM COc1ccc([C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(=O)[O-])cc1 ZINC001599520007 1017599282 /nfs/dbraw/zinc/59/92/82/1017599282.db2.gz KALFTVLSHCITQQ-ONGXEEELSA-N -1 0 321.289 -0.465 20 0 DBADRM COc1cc(OC)nc(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])n1 ZINC001599455524 1017599556 /nfs/dbraw/zinc/59/95/56/1017599556.db2.gz VEUVDFINQKOJFJ-GMSGAONNSA-N -1 0 311.294 -0.287 20 0 DBADRM COc1cc(OC)nc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)n1 ZINC001599455492 1017599918 /nfs/dbraw/zinc/59/99/18/1017599918.db2.gz ULLKUIDBWOWDKH-ZDUSSCGKSA-N -1 0 311.294 -0.285 20 0 DBADRM COc1ccc(C(=O)NCC(=O)NCC(=O)[O-])c(Cl)n1 ZINC001599483301 1017600092 /nfs/dbraw/zinc/60/00/92/1017600092.db2.gz XOEBTKXNKVXCMS-UHFFFAOYSA-N -1 0 301.686 -0.326 20 0 DBADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)CCNC(=O)CO)cc1 ZINC001599509895 1017600139 /nfs/dbraw/zinc/60/01/39/1017600139.db2.gz FNWZYZVRNSPHDL-LBPRGKRZSA-N -1 0 324.333 -0.174 20 0 DBADRM COc1ccc([C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C(=O)[O-])cc1O ZINC001599520301 1017600837 /nfs/dbraw/zinc/60/08/37/1017600837.db2.gz ZQQBFVLSOWVAAR-LDYMZIIASA-N -1 0 323.305 -0.334 20 0 DBADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001599493727 1017601129 /nfs/dbraw/zinc/60/11/29/1017601129.db2.gz IGZQMGSKIAZORB-UHFFFAOYSA-N -1 0 314.319 -0.486 20 0 DBADRM COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001599535303 1017601991 /nfs/dbraw/zinc/60/19/91/1017601991.db2.gz MFHAQADDHNEIRL-SECBINFHSA-N -1 0 310.306 -0.106 20 0 DBADRM COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001599535304 1017602531 /nfs/dbraw/zinc/60/25/31/1017602531.db2.gz MFHAQADDHNEIRL-VIFPVBQESA-N -1 0 310.306 -0.106 20 0 DBADRM COc1ccc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])cc1F ZINC001599587609 1017602711 /nfs/dbraw/zinc/60/27/11/1017602711.db2.gz KHTMPOOPUVDSOM-MRVPVSSYSA-N -1 0 314.269 -0.275 20 0 DBADRM COc1ccc(F)c(CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])c1 ZINC001599581115 1017603092 /nfs/dbraw/zinc/60/30/92/1017603092.db2.gz APRJJHKYWSPGDN-JTQLQIEISA-N -1 0 316.260 -0.011 20 0 DBADRM COc1ccc([C@H](NCC(=O)N2CCNC2=O)C(=O)[O-])cc1O ZINC001599528455 1017603133 /nfs/dbraw/zinc/60/31/33/1017603133.db2.gz VQFMLTZLDCAHEJ-LBPRGKRZSA-N -1 0 323.305 -0.332 20 0 DBADRM COc1ccc([C@@H](NC(=O)C[C@H]2CC(=O)N2)C(=O)[O-])cc1O ZINC001599520694 1017603172 /nfs/dbraw/zinc/60/31/72/1017603172.db2.gz VFMBREWPMSJFDC-AMIZOPFISA-N -1 0 308.290 -0.079 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)nc1 ZINC001599563894 1017603576 /nfs/dbraw/zinc/60/35/76/1017603576.db2.gz XVDPGTGXKPZMOB-LLVKDONJSA-N -1 0 323.305 -0.982 20 0 DBADRM COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001599572462 1017603856 /nfs/dbraw/zinc/60/38/56/1017603856.db2.gz MDPVUSRJMYBEPW-MNOVXSKESA-N -1 0 320.349 -0.056 20 0 DBADRM COc1cccc([C@@H](O)C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC001599661243 1017605987 /nfs/dbraw/zinc/60/59/87/1017605987.db2.gz ZZLTZHZJQTXSSF-DGCLKSJQSA-N -1 0 322.317 -0.470 20 0 DBADRM COc1cccc(C(=O)NCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001599643090 1017606168 /nfs/dbraw/zinc/60/61/68/1017606168.db2.gz SFIBDNYYPQPRMJ-WCQYABFASA-N -1 0 322.317 -0.217 20 0 DBADRM COc1ccc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])c(C)n1 ZINC001599588068 1017606270 /nfs/dbraw/zinc/60/62/70/1017606270.db2.gz OLPAMNIYDXKILZ-MRVPVSSYSA-N -1 0 311.294 -0.711 20 0 DBADRM COc1ccc2c(c1)ncc(C(=O)N[C@H](CO)C(=O)[O-])c2O ZINC001599626739 1017606663 /nfs/dbraw/zinc/60/66/63/1017606663.db2.gz VXKXKNCMPQHPCV-LLVKDONJSA-N -1 0 306.274 -0.288 20 0 DBADRM COc1cccc(CC(=O)NCCC(=O)NCCC(=O)[O-])n1 ZINC001599664464 1017606774 /nfs/dbraw/zinc/60/67/74/1017606774.db2.gz BYQMPLROCPCXSU-UHFFFAOYSA-N -1 0 309.322 -0.270 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N[C@@H](CCF)C(=O)[O-])CC1 ZINC001599754409 1017623457 /nfs/dbraw/zinc/62/34/57/1017623457.db2.gz UDOAJWUWLDUHMU-VIFPVBQESA-N -1 0 310.347 -0.413 20 0 DBADRM COc1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001599678872 1017608123 /nfs/dbraw/zinc/60/81/23/1017608123.db2.gz PGPAWEVDLVBKPD-ONGXEEELSA-N -1 0 322.317 -0.072 20 0 DBADRM COc1ccccc1C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599695932 1017608242 /nfs/dbraw/zinc/60/82/42/1017608242.db2.gz LXAHEFMHSBTVCF-UHFFFAOYSA-N -1 0 322.317 -0.025 20 0 DBADRM COc1cccc(CO[C@@H](C)C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001599675224 1017609258 /nfs/dbraw/zinc/60/92/58/1017609258.db2.gz SHHKHXKROIJKKK-JTQLQIEISA-N -1 0 324.333 -0.083 20 0 DBADRM COc1cncc(C(=O)OCCCc2cn(CC(=O)[O-])nn2)n1 ZINC001599726831 1017610477 /nfs/dbraw/zinc/61/04/77/1017610477.db2.gz VLCQPXOTHCQFER-UHFFFAOYSA-N -1 0 321.293 -0.049 20 0 DBADRM COc1cnc(C(=O)NCCNc2ncc(C(=O)[O-])cn2)nc1 ZINC001599723433 1017610528 /nfs/dbraw/zinc/61/05/28/1017610528.db2.gz NJTDMNRJXLEVAV-UHFFFAOYSA-N -1 0 318.293 -0.185 20 0 DBADRM COc1cncnc1NC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001599728143 1017610960 /nfs/dbraw/zinc/61/09/60/1017610960.db2.gz IYISGCWVVQWZCS-MRVPVSSYSA-N -1 0 306.278 -0.287 20 0 DBADRM COc1cncc(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001599726235 1017611262 /nfs/dbraw/zinc/61/12/62/1017611262.db2.gz HSBPZDICFDTOLP-UHFFFAOYSA-N -1 0 323.305 -0.035 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)N[C@@H](CF)C(=O)[O-])o1 ZINC001599761466 1017626841 /nfs/dbraw/zinc/62/68/41/1017626841.db2.gz PIYICFDPQJNWGS-ZETCQYMHSA-N -1 0 308.287 -0.519 20 0 DBADRM COc1nccnc1CN(CCN1CCOCC1)CC(=O)[O-] ZINC001599738263 1017613187 /nfs/dbraw/zinc/61/31/87/1017613187.db2.gz AYNYCZCQHXZVKV-UHFFFAOYSA-N -1 0 310.354 -0.296 20 0 DBADRM COc1ncccc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001599737023 1017613205 /nfs/dbraw/zinc/61/32/05/1017613205.db2.gz YQSQLFAOLLDINS-VIFPVBQESA-N -1 0 314.319 -0.586 20 0 DBADRM COc1ncc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)cn1 ZINC001599732857 1017613583 /nfs/dbraw/zinc/61/35/83/1017613583.db2.gz BDXYCXBGXXJAMA-ZDUSSCGKSA-N -1 0 306.278 -0.069 20 0 DBADRM COc1ncc(C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)cn1 ZINC001599733395 1017613690 /nfs/dbraw/zinc/61/36/90/1017613690.db2.gz XERFEEWCOJMTSD-JTQLQIEISA-N -1 0 311.294 -0.133 20 0 DBADRM COc1cccnc1C(=O)NCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599732463 1017613699 /nfs/dbraw/zinc/61/36/99/1017613699.db2.gz QVPDSBSLSNTTST-DTWKUNHWSA-N -1 0 307.306 -0.343 20 0 DBADRM COc1ncccc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001599737826 1017613736 /nfs/dbraw/zinc/61/37/36/1017613736.db2.gz UJGHDFPKLVBBQU-QMMMGPOBSA-N -1 0 302.308 -0.436 20 0 DBADRM COc1ncccc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001599737022 1017613802 /nfs/dbraw/zinc/61/38/02/1017613802.db2.gz YQSQLFAOLLDINS-SECBINFHSA-N -1 0 314.319 -0.586 20 0 DBADRM COc1ncccc1C(=O)N(C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001599737017 1017613899 /nfs/dbraw/zinc/61/38/99/1017613899.db2.gz YLJQOHWQTDVMNO-MNOVXSKESA-N -1 0 321.333 -0.001 20 0 DBADRM COc1cccnc1C(=O)NCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001599732462 1017614054 /nfs/dbraw/zinc/61/40/54/1017614054.db2.gz QVPDSBSLSNTTST-BDAKNGLRSA-N -1 0 307.306 -0.343 20 0 DBADRM COc1ncccc1NC(=O)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001599737676 1017614253 /nfs/dbraw/zinc/61/42/53/1017614253.db2.gz RUYHCJAEOSOTJG-NXEZZACHSA-N -1 0 323.305 -0.535 20 0 DBADRM COc1ncc(CN2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c(C)n1 ZINC001599734355 1017614281 /nfs/dbraw/zinc/61/42/81/1017614281.db2.gz LMOUEVSNFQMDOH-NWDGAFQWSA-N -1 0 320.349 -0.185 20 0 DBADRM COc1ncccc1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001599736786 1017614291 /nfs/dbraw/zinc/61/42/91/1017614291.db2.gz LEIFQLKCMXSBAT-UHFFFAOYSA-N -1 0 317.305 -0.158 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CC1 ZINC001599744199 1017614899 /nfs/dbraw/zinc/61/48/99/1017614899.db2.gz QIKARZSQRFSSOJ-VIFPVBQESA-N -1 0 305.352 -0.752 20 0 DBADRM COc1nnccc1NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599739115 1017615007 /nfs/dbraw/zinc/61/50/07/1017615007.db2.gz ZIRUQQBTJOXJMG-UHFFFAOYSA-N -1 0 311.298 -0.412 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCC1 ZINC001599743235 1017615196 /nfs/dbraw/zinc/61/51/96/1017615196.db2.gz GDKSKGFGXIOUEB-VIFPVBQESA-N -1 0 305.352 -0.344 20 0 DBADRM COc1nn(C)cc1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599739531 1017615377 /nfs/dbraw/zinc/61/53/77/1017615377.db2.gz PKAKGMUYBPSGKZ-IUCAKERBSA-N -1 0 322.321 -0.910 20 0 DBADRM C[S@@](=N)(=O)N1CCN(C(=S)NCCCC(=O)[O-])CC1 ZINC001599744232 1017615655 /nfs/dbraw/zinc/61/56/55/1017615655.db2.gz ZCUGQILUSQRXCY-IBGZPJMESA-N -1 0 308.429 -0.065 20 0 DBADRM CP(C)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001599742718 1017615860 /nfs/dbraw/zinc/61/58/60/1017615860.db2.gz MWHGNEPLLIPNAE-UHFFFAOYSA-N -1 0 312.262 -0.135 20 0 DBADRM COc1nn(C)cc1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599739530 1017616083 /nfs/dbraw/zinc/61/60/83/1017616083.db2.gz PKAKGMUYBPSGKZ-DTWKUNHWSA-N -1 0 322.321 -0.910 20 0 DBADRM COc1ncnc(N(C)C)c1NC(=O)C(=O)NC1(C(=O)[O-])CC1 ZINC001599738518 1017616543 /nfs/dbraw/zinc/61/65/43/1017616543.db2.gz INRTYHJQLRBTOU-UHFFFAOYSA-N -1 0 323.309 -0.777 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(c2nccnc2C(=O)[O-])CCO1 ZINC001599748143 1017617525 /nfs/dbraw/zinc/61/75/25/1017617525.db2.gz BPPMYTWYGOBOIL-QMMMGPOBSA-N -1 0 301.324 -0.575 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC001599746608 1017618324 /nfs/dbraw/zinc/61/83/24/1017618324.db2.gz KQOBRTGKFHIVNL-UHFFFAOYSA-N -1 0 315.351 -0.383 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(c2ncncc2C(=O)[O-])CCO1 ZINC001599749414 1017618476 /nfs/dbraw/zinc/61/84/76/1017618476.db2.gz QCJGLZSWLZKWPE-MRVPVSSYSA-N -1 0 301.324 -0.575 20 0 DBADRM CS(=O)(=O)C1(CNS(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001599745742 1017618769 /nfs/dbraw/zinc/61/87/69/1017618769.db2.gz KYNWYPZCAAJIQT-UHFFFAOYSA-N -1 0 311.381 -0.652 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC001599746918 1017618941 /nfs/dbraw/zinc/61/89/41/1017618941.db2.gz UQODAUOHOPHCMR-UHFFFAOYSA-N -1 0 315.351 -0.383 20 0 DBADRM CS(=O)(=O)CCCN1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001599751011 1017619583 /nfs/dbraw/zinc/61/95/83/1017619583.db2.gz VEOGJFPTIZGZCD-RKDXNWHRSA-N -1 0 318.351 -0.452 20 0 DBADRM CS(=O)(=O)C[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])c1ccccc1 ZINC001599749757 1017620061 /nfs/dbraw/zinc/62/00/61/1017620061.db2.gz WQFOGUXPFKOMFF-MNOVXSKESA-N -1 0 315.347 -0.624 20 0 DBADRM CS(=O)(=O)CCCNC(=O)CCc1ocnc1C(=O)[O-] ZINC001599750782 1017620825 /nfs/dbraw/zinc/62/08/25/1017620825.db2.gz JFHWZNPLUFADQS-UHFFFAOYSA-N -1 0 304.324 -0.144 20 0 DBADRM CS(=O)(=O)CCCC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001599751338 1017620834 /nfs/dbraw/zinc/62/08/34/1017620834.db2.gz YVXAIELZAYAHCU-UHFFFAOYSA-N -1 0 307.368 -0.191 20 0 DBADRM CS(=O)(=O)CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C1CC1 ZINC001599751412 1017620911 /nfs/dbraw/zinc/62/09/11/1017620911.db2.gz LYRJXIWZYBGORL-ZJUUUORDSA-N -1 0 305.352 -0.346 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001599755973 1017622595 /nfs/dbraw/zinc/62/25/95/1017622595.db2.gz TVRICWMKKXEOQH-OPRDCNLKSA-N -1 0 319.383 -0.427 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)NC2(CC(=O)[O-])CCCC2)C1 ZINC001599754045 1017622903 /nfs/dbraw/zinc/62/29/03/1017622903.db2.gz OESUIQPQGJSLKA-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM CS(=O)(=O)N=S1(=O)CCN(CC2(C(=O)[O-])CC2)CC1 ZINC001599757700 1017624586 /nfs/dbraw/zinc/62/45/86/1017624586.db2.gz VZTDIERONKXNAN-UHFFFAOYSA-N -1 0 310.397 -0.406 20 0 DBADRM CS(=O)(=O)NCCC(=O)O[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001599758970 1017624830 /nfs/dbraw/zinc/62/48/30/1017624830.db2.gz CGIVRSOGQQJSFW-RGOKHQFPSA-N -1 0 305.352 -0.032 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001599758329 1017625177 /nfs/dbraw/zinc/62/51/77/1017625177.db2.gz MHNBCEUJJNVXBZ-UKKRHICBSA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001599758054 1017625601 /nfs/dbraw/zinc/62/56/01/1017625601.db2.gz IOTIUAQFBHENFX-WCBMZHEXSA-N -1 0 320.367 -0.984 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001599757103 1017625715 /nfs/dbraw/zinc/62/57/15/1017625715.db2.gz BZLJUPNAWMDGOQ-MMWGEVLESA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C1(F)CCOCC1)C(=O)[O-] ZINC001599762222 1017626879 /nfs/dbraw/zinc/62/68/79/1017626879.db2.gz HNKSHWUXLCOCEA-GZMMTYOYSA-N -1 0 323.342 -0.491 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC001599759493 1017627357 /nfs/dbraw/zinc/62/73/57/1017627357.db2.gz WPAVAYNKNCDSKF-SECBINFHSA-N -1 0 314.367 -0.454 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@@H]1CCCS1)C(=O)[O-] ZINC001599763278 1017627693 /nfs/dbraw/zinc/62/76/93/1017627693.db2.gz YHOHIEIMEZGPEE-DKCNOQQISA-N -1 0 307.393 -0.114 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(c2nccc(C(=O)[O-])n2)C1 ZINC001599759504 1017627748 /nfs/dbraw/zinc/62/77/48/1017627748.db2.gz XCNVUDIRXGFFHB-QMMMGPOBSA-N -1 0 300.340 -0.450 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@H](NC(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001599762484 1017627757 /nfs/dbraw/zinc/62/77/57/1017627757.db2.gz KGWZGLQDKAWCHS-KYZUINATSA-N -1 0 301.324 -0.727 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNS(=O)(=O)c1ccco1)C(=O)[O-] ZINC001599763458 1017627834 /nfs/dbraw/zinc/62/78/34/1017627834.db2.gz GZBYOEAJSYSMON-OIBJUYFYSA-N -1 0 323.348 -0.554 20 0 DBADRM CS(=O)(=O)c1ccc2ncnc(N3CC(O)(C(=O)[O-])C3)c2c1 ZINC001599772646 1017628740 /nfs/dbraw/zinc/62/87/40/1017628740.db2.gz GRSNDVSIRFTMQM-UHFFFAOYSA-N -1 0 323.330 -0.331 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)o1 ZINC001599767679 1017628766 /nfs/dbraw/zinc/62/87/66/1017628766.db2.gz WPXRTJCOYVNBIO-HTQZYQBOSA-N -1 0 317.319 -0.409 20 0 DBADRM CS(=O)(=O)c1ccc(/C=C\C(=O)NC[C@H](O)C(=O)[O-])o1 ZINC001599770359 1017629464 /nfs/dbraw/zinc/62/94/64/1017629464.db2.gz LQFZLVQOAMOZMT-LTMVXPGCSA-N -1 0 303.292 -0.742 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])co1 ZINC001599764550 1017629617 /nfs/dbraw/zinc/62/96/17/1017629617.db2.gz YGRPWAGMSKTZAY-SCZZXKLOSA-N -1 0 317.319 -0.267 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])co1 ZINC001599765418 1017629686 /nfs/dbraw/zinc/62/96/86/1017629686.db2.gz LKZCJNYQJGAFEY-IONNQARKSA-N -1 0 303.292 -0.345 20 0 DBADRM CS(=O)(=O)c1ccnc(N2CCN(CC(=O)[O-])CC2)n1 ZINC001599773825 1017629943 /nfs/dbraw/zinc/62/99/43/1017629943.db2.gz NIRMFGVXSHXDAB-UHFFFAOYSA-N -1 0 300.340 -0.913 20 0 DBADRM CS(=O)(=O)c1ccc(/C=C/C(=O)NC[C@@H](O)CC(=O)[O-])o1 ZINC001599769853 1017630100 /nfs/dbraw/zinc/63/01/00/1017630100.db2.gz DVSVZRMANYEBNE-KHVHVRLGSA-N -1 0 317.319 -0.352 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)CCNc1cnc(C(=O)[O-])cn1 ZINC001599779974 1017631359 /nfs/dbraw/zinc/63/13/59/1017631359.db2.gz BGHYLIQDYQLNCR-UHFFFAOYSA-N -1 0 322.368 -0.356 20 0 DBADRM C[S@](=O)C1(CNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC001599775579 1017631536 /nfs/dbraw/zinc/63/15/36/1017631536.db2.gz OFYGGTGYAATVOE-QKVFXAPYSA-N -1 0 316.379 -0.663 20 0 DBADRM CS[C@H](C)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599783732 1017631692 /nfs/dbraw/zinc/63/16/92/1017631692.db2.gz PQAUMZXQRCNYMH-HLTSFMKQSA-N -1 0 304.368 -0.852 20 0 DBADRM CS(=O)(=O)c1ncnn1[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001599775398 1017631952 /nfs/dbraw/zinc/63/19/52/1017631952.db2.gz LTRNHKXUIXNWMN-MRVPVSSYSA-N -1 0 316.339 -0.680 20 0 DBADRM C[S@](=O)C1(CNC(=O)NCCC(=O)NCCC(=O)[O-])CC1 ZINC001599776290 1017632245 /nfs/dbraw/zinc/63/22/45/1017632245.db2.gz YRZFBGJDXRTCBR-NRFANRHFSA-N -1 0 319.383 -0.822 20 0 DBADRM C[S@](=O)CCN1CCN(C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)CC1 ZINC001599776389 1017632305 /nfs/dbraw/zinc/63/23/05/1017632305.db2.gz HBZCBUNXBBGMMC-ARNPGYACSA-N -1 0 310.366 -0.052 20 0 DBADRM CS(C)(=O)=NCCNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001599781117 1017632498 /nfs/dbraw/zinc/63/24/98/1017632498.db2.gz MHOXLWFGHYJBRN-UHFFFAOYSA-N -1 0 310.353 -0.016 20 0 DBADRM C[S@](=O)CCNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599776956 1017632603 /nfs/dbraw/zinc/63/26/03/1017632603.db2.gz NXUZYQQKBADIRT-ZEDNOMKYSA-N -1 0 315.355 -0.689 20 0 DBADRM CSCc1noc(CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)n1 ZINC001599804804 1017633352 /nfs/dbraw/zinc/63/33/52/1017633352.db2.gz VDVPWTDIBYZTSU-LDWIPMOCSA-N -1 0 303.340 -0.185 20 0 DBADRM CSC[C@@H](C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001599791651 1017634248 /nfs/dbraw/zinc/63/42/48/1017634248.db2.gz ACLUGXBLTYJRCL-VHSKPIJISA-N -1 0 309.409 -0.010 20 0 DBADRM CSCC[C@H](C)NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599794926 1017635318 /nfs/dbraw/zinc/63/53/18/1017635318.db2.gz CTXKLGJZSQIGGD-GUBZILKMSA-N -1 0 318.395 -0.055 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001599836583 1017636032 /nfs/dbraw/zinc/63/60/32/1017636032.db2.gz NSUHEENFJGLNIA-DTWKUNHWSA-N -1 0 321.337 -0.818 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001599836378 1017636223 /nfs/dbraw/zinc/63/62/23/1017636223.db2.gz IFYTZDKDWIJLGQ-RTHLEPHNSA-N -1 0 321.337 -0.240 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)Cc1ccn(C)n1 ZINC001599836127 1017636665 /nfs/dbraw/zinc/63/66/65/1017636665.db2.gz AGVRMTLXJHSOSF-VIFPVBQESA-N -1 0 318.337 -0.511 20 0 DBADRM C[C@@H](CCNC(=O)Cc1nc[nH]n1)Nc1ccnc(C(=O)[O-])n1 ZINC001599836037 1017636920 /nfs/dbraw/zinc/63/69/20/1017636920.db2.gz YNXXFLPXFZDHTH-QMMMGPOBSA-N -1 0 319.325 -0.736 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@]1(C)CCOC1 ZINC001599836993 1017637365 /nfs/dbraw/zinc/63/73/65/1017637365.db2.gz SZZNZGZDXTUTQO-LKFCYVNXSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001599836821 1017637487 /nfs/dbraw/zinc/63/74/87/1017637487.db2.gz VLSLPIQIEBIODS-WPRPVWTQSA-N -1 0 321.337 -0.288 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cccc(=O)[nH]2)C[C@H]1C(=O)[O-] ZINC001599847821 1017638592 /nfs/dbraw/zinc/63/85/92/1017638592.db2.gz HMVKOUJCNOEVLR-MWLCHTKSSA-N -1 0 321.333 -0.075 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)[O-] ZINC001599843527 1017639079 /nfs/dbraw/zinc/63/90/79/1017639079.db2.gz IEVGIIIJKJGQSG-OQPBUACISA-N -1 0 312.297 -0.565 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)C(=O)[O-] ZINC001599843616 1017639143 /nfs/dbraw/zinc/63/91/43/1017639143.db2.gz MBRKYRDRWCEPIB-OQPBUACISA-N -1 0 305.290 -0.653 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)C(=O)[O-] ZINC001599846107 1017639311 /nfs/dbraw/zinc/63/93/11/1017639311.db2.gz RXGPXHKCDJUGBR-KCJUWKMLSA-N -1 0 315.347 -0.205 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C(=O)[O-] ZINC001599845736 1017639394 /nfs/dbraw/zinc/63/93/94/1017639394.db2.gz WOCUQCSRBFTTFZ-ANLVUFKYSA-N -1 0 320.298 -0.963 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccc(S(C)(=O)=O)s1)C(=O)[O-] ZINC001599844912 1017639464 /nfs/dbraw/zinc/63/94/64/1017639464.db2.gz GQHYCQPFVNJCGV-XRGYYRRGSA-N -1 0 307.349 -0.285 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@H]1Cc2cc(F)ccc2NC1=O)C(=O)[O-] ZINC001599844636 1017639476 /nfs/dbraw/zinc/63/94/76/1017639476.db2.gz SBUWXSURYAUAJS-CGYDSVCVSA-N -1 0 310.281 -0.113 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)nc1F)C(=O)[O-] ZINC001599844985 1017639546 /nfs/dbraw/zinc/63/95/46/1017639546.db2.gz DAZATXBSPGZNOP-FBCQKBJTSA-N -1 0 312.706 -0.014 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CNC(=O)c1cc(Cl)ccn1)C(=O)[O-] ZINC001599843376 1017639645 /nfs/dbraw/zinc/63/96/45/1017639645.db2.gz DHXYGXULGHBUSO-LDWIPMOCSA-N -1 0 315.713 -0.585 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)[C@H](C)C1 ZINC001599848068 1017640966 /nfs/dbraw/zinc/64/09/66/1017640966.db2.gz DPXCDVCWXMUOLR-WYUUTHIRSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCCC(F)(F)C2)C[C@@H](C(=O)[O-])O1 ZINC001599849071 1017641084 /nfs/dbraw/zinc/64/10/84/1017641084.db2.gz DOZZYNMOWNWONR-BDAKNGLRSA-N -1 0 320.292 -0.055 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)CO)C[C@@H](C(=O)[O-])O1 ZINC001599848247 1017641166 /nfs/dbraw/zinc/64/11/66/1017641166.db2.gz WFAQMDNIFSMBPE-ZJUUUORDSA-N -1 0 316.354 -0.836 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)O)C[C@H]1CC(=O)[O-] ZINC001599848236 1017641597 /nfs/dbraw/zinc/64/15/97/1017641597.db2.gz VOHMDBGWMCMWHS-NXEZZACHSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CO)C2)C[C@H]1CC(=O)[O-] ZINC001599849293 1017641808 /nfs/dbraw/zinc/64/18/08/1017641808.db2.gz IWKSQAPZQVAUOR-IJLUTSLNSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CCCCCO)C[C@H]1C(=O)[O-] ZINC001599848242 1017641922 /nfs/dbraw/zinc/64/19/22/1017641922.db2.gz VXEDLWZSRLNDCZ-GHMZBOCLSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C2(N3CCOCC3)CCC2)C[C@@H](C(=O)[O-])O1 ZINC001599852447 1017642866 /nfs/dbraw/zinc/64/28/66/1017642866.db2.gz GIKPOTMBMDIYCA-NEPJUHHUSA-N -1 0 312.366 -0.058 20 0 DBADRM C[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001599853424 1017643071 /nfs/dbraw/zinc/64/30/71/1017643071.db2.gz SCPAVRHMJRYENC-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)C[C@@H](C(=O)[O-])O1 ZINC001599850387 1017643286 /nfs/dbraw/zinc/64/32/86/1017643286.db2.gz AZLFSGKXVAZFSN-IIRVCBMXSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC2COC(C)(C)OC2)C[C@H]1C(=O)[O-] ZINC001599850574 1017644176 /nfs/dbraw/zinc/64/41/76/1017644176.db2.gz DLMPNCZGAGLFFY-PSASIEDQSA-N -1 0 314.338 -0.567 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)CCS1(=O)=O ZINC001599856134 1017645440 /nfs/dbraw/zinc/64/54/40/1017645440.db2.gz SKNBISJVYASLOF-MRVPVSSYSA-N -1 0 301.324 -0.773 20 0 DBADRM C[C@@H]1CN(C(=O)NC2CC(NS(C)(=O)=O)C2)C[C@H]1C(=O)[O-] ZINC001599857547 1017645854 /nfs/dbraw/zinc/64/58/54/1017645854.db2.gz LYIBEUHJUBOQIU-SEZDTBSWSA-N -1 0 319.383 -0.571 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001599856772 1017646192 /nfs/dbraw/zinc/64/61/92/1017646192.db2.gz OTBSRHLJLWFMKA-DOLQZWNJSA-N -1 0 319.383 -0.727 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@H](CO)OC(C)(C)C2)O[C@H]1C(=O)[O-] ZINC001599872118 1017647371 /nfs/dbraw/zinc/64/73/71/1017647371.db2.gz JVNZVDSKCPBPMC-GWOFURMSSA-N -1 0 301.339 -0.137 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)C[C@@H](C(=O)[O-])O1 ZINC001599868095 1017648383 /nfs/dbraw/zinc/64/83/83/1017648383.db2.gz WWQYGNVNAKUOHA-XXFSISAASA-N -1 0 305.352 -0.190 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC[C@H](CS(C)(=O)=O)C2)O[C@H]1C(=O)[O-] ZINC001599873275 1017649929 /nfs/dbraw/zinc/64/99/29/1017649929.db2.gz JQTBQGWLYOJFDA-LMLFDSFASA-N -1 0 319.379 -0.242 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]3CCNC(=O)[C@H]32)O[C@H]1C(=O)[O-] ZINC001599874859 1017650285 /nfs/dbraw/zinc/65/02/85/1017650285.db2.gz ROOWJVCUSXZMII-PZWNZHSQSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2)O[C@H]1C(=O)[O-] ZINC001599874459 1017650852 /nfs/dbraw/zinc/65/08/52/1017650852.db2.gz IKGLIQYWZZZMFZ-YUSALJHKSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@@H]1[C@H](O)CCCN1CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001599883505 1017651655 /nfs/dbraw/zinc/65/16/55/1017651655.db2.gz QAUPEJOCMVSJGL-RULNRJAQSA-N -1 0 313.354 -0.036 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001599880936 1017651731 /nfs/dbraw/zinc/65/17/31/1017651731.db2.gz KDCTZRGECFNFLL-OPRDCNLKSA-N -1 0 308.338 -0.516 20 0 DBADRM C[C@@]1(C(=O)NCCNc2ncc(C(=O)[O-])cn2)CCC(=O)N1 ZINC001599883069 1017651977 /nfs/dbraw/zinc/65/19/77/1017651977.db2.gz VRNWZLOMMACSEB-ZDUSSCGKSA-N -1 0 307.310 -0.628 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1csc(=O)[nH]1 ZINC001599890685 1017652022 /nfs/dbraw/zinc/65/20/22/1017652022.db2.gz BZINICCZZFDDPX-ZCFIWIBFSA-N -1 0 323.334 -0.011 20 0 DBADRM C[C@H](C(=O)N[C@@](C)(CO)C(=O)[O-])N1Cc2ccccc2C1=O ZINC001599885749 1017652561 /nfs/dbraw/zinc/65/25/61/1017652561.db2.gz PEWCVIYWTZNICL-PSLIRLAXSA-N -1 0 306.318 -0.017 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)c1c2c(nn1C)CCS(=O)(=O)C2 ZINC001599885657 1017652800 /nfs/dbraw/zinc/65/28/00/1017652800.db2.gz KQRYZJFMFNNICQ-SSDOTTSWSA-N -1 0 315.351 -0.564 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC001599895835 1017654223 /nfs/dbraw/zinc/65/42/23/1017654223.db2.gz JEFXKPHQLAXXKA-IUCAKERBSA-N -1 0 301.343 -0.215 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1CCNC1=O ZINC001599891983 1017654402 /nfs/dbraw/zinc/65/44/02/1017654402.db2.gz VXCOAPGROBBVMG-VXNVDRBHSA-N -1 0 307.310 -0.773 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)Cn1cc(Cl)cn1)C(=O)[O-] ZINC001599896187 1017654753 /nfs/dbraw/zinc/65/47/53/1017654753.db2.gz PSOLNXSFFFVJGE-BQBZGAKWSA-N -1 0 302.718 -0.370 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCO[C@@H]2CCC[C@@H]21)C(=O)[O-] ZINC001599895809 1017654842 /nfs/dbraw/zinc/65/48/42/1017654842.db2.gz BGZLVMYRVWGRCF-XWLWVQCSSA-N -1 0 313.354 -0.073 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H]1CCn2ccnc2C1)C(=O)[O-] ZINC001599895934 1017655007 /nfs/dbraw/zinc/65/50/07/1017655007.db2.gz DJPDWEPOSDGEFF-GUBZILKMSA-N -1 0 323.353 -0.525 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)C1=CS(=O)(=O)CCC1)C(=O)[O-] ZINC001599895053 1017655021 /nfs/dbraw/zinc/65/50/21/1017655021.db2.gz FFWONGZZFPJCBO-YUMQZZPRSA-N -1 0 318.351 -0.827 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1CCN(C)C1=O ZINC001599892182 1017655429 /nfs/dbraw/zinc/65/54/29/1017655429.db2.gz YBQGCCKYZUETHK-SCZZXKLOSA-N -1 0 321.337 -0.430 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCO[C@@H](CF)C1)C(=O)[O-] ZINC001599896671 1017657026 /nfs/dbraw/zinc/65/70/26/1017657026.db2.gz MHHIYDYKEUEJIN-CIUDSAMLSA-N -1 0 305.306 -0.656 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC[C@H]1C(C)(C)O)C(=O)[O-] ZINC001599897655 1017657213 /nfs/dbraw/zinc/65/72/13/1017657213.db2.gz KTDGGYZUNSRRLJ-GUBZILKMSA-N -1 0 315.370 -0.091 20 0 DBADRM C[C@H](O)C1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC001599897480 1017657240 /nfs/dbraw/zinc/65/72/40/1017657240.db2.gz HLSSMLMIFWDEAL-GUBZILKMSA-N -1 0 315.370 -0.233 20 0 DBADRM C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)C(=O)N1CCCC1 ZINC001599901620 1017659128 /nfs/dbraw/zinc/65/91/28/1017659128.db2.gz MIRVBYXQXYQJJR-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC[C@H](O)CC1)C(=O)[O-] ZINC001599898675 1017659473 /nfs/dbraw/zinc/65/94/73/1017659473.db2.gz YXBTVEICEMRZHI-GUBZILKMSA-N -1 0 301.343 -0.479 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@](C)(O)C2)CC[C@H]1C(=O)[O-] ZINC001599910367 1017661342 /nfs/dbraw/zinc/66/13/42/1017661342.db2.gz SKHBJFUSTHJHRQ-RWSFTLGLSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC(C)(O)CC2)C[C@]1(C)C(=O)[O-] ZINC001599910221 1017661711 /nfs/dbraw/zinc/66/17/11/1017661711.db2.gz NWTJPKRAANCLPU-BONVTDFDSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CC(c3cnn(C)c3)=NO2)C[C@@H](C(=O)[O-])O1 ZINC001599914940 1017663115 /nfs/dbraw/zinc/66/31/15/1017663115.db2.gz XKVDUIOITGGIRW-AXTRIDKLSA-N -1 0 322.321 -0.386 20 0 DBADRM C[C@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@@H](C(=O)[O-])O1 ZINC001599915235 1017663603 /nfs/dbraw/zinc/66/36/03/1017663603.db2.gz RUGBJDCHDPRELG-IUCAKERBSA-N -1 0 305.352 -0.346 20 0 DBADRM C[C@H]1CN(C(=O)NCCCC(=O)N(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599920827 1017665013 /nfs/dbraw/zinc/66/50/13/1017665013.db2.gz SHIBQRYIBSPLMP-UWVGGRQHSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@@H](C(=O)[O-])O1 ZINC001599924850 1017665638 /nfs/dbraw/zinc/66/56/38/1017665638.db2.gz KZFGGYGRXFQZEC-XPUUQOCRSA-N -1 0 318.307 -0.759 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)C[C@H](C)N1CCO ZINC001599918861 1017665751 /nfs/dbraw/zinc/66/57/51/1017665751.db2.gz VJVKFOLWAOTVIB-PHIMTYICSA-N -1 0 310.354 -0.505 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@@H](C(=O)[O-])O1 ZINC001599919579 1017665903 /nfs/dbraw/zinc/66/59/03/1017665903.db2.gz AEKUIDZLNHUCFV-OSUNSFLBSA-N -1 0 314.338 -0.326 20 0 DBADRM C[C@H]1CN(S(=O)(=O)C[C@H]2CN(C)CCO2)CC[C@H]1C(=O)[O-] ZINC001599930657 1017667854 /nfs/dbraw/zinc/66/78/54/1017667854.db2.gz PPSLYMWWBGSYLH-QJPTWQEYSA-N -1 0 320.411 -0.311 20 0 DBADRM C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(C(=O)[O-])n1C ZINC001599933496 1017668148 /nfs/dbraw/zinc/66/81/48/1017668148.db2.gz AHRBUPPCDZYBQI-JGVFFNPUSA-N -1 0 300.336 -0.114 20 0 DBADRM C[C@H]1CN(c2nnnn2C[C@@]2(C)CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599933125 1017668506 /nfs/dbraw/zinc/66/85/06/1017668506.db2.gz KSZSMSIQUPVKRM-OUJBWJOFSA-N -1 0 311.342 -0.222 20 0 DBADRM C[C@H]1CN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@]1(C)C(=O)[O-] ZINC001599928170 1017668872 /nfs/dbraw/zinc/66/88/72/1017668872.db2.gz WENYBMDDAORVJC-CWSCBRNRSA-N -1 0 318.395 -0.668 20 0 DBADRM C[C@H]1CN(c2nnnn2CCN2CCOCC2)CC[C@H]1C(=O)[O-] ZINC001599933027 1017668888 /nfs/dbraw/zinc/66/88/88/1017668888.db2.gz HHJRCUZLBUXTDE-NWDGAFQWSA-N -1 0 324.385 -0.448 20 0 DBADRM C[C@H]1CN(c2nnnn2C[C@@H]2COCCO2)C[C@]1(C)C(=O)[O-] ZINC001599933669 1017668975 /nfs/dbraw/zinc/66/89/75/1017668975.db2.gz TVTQSFYZBWDLMC-CWSCBRNRSA-N -1 0 311.342 -0.365 20 0 DBADRM C[C@H]1CN(CCc2cn(CC(=O)[O-])nn2)CCS1(=O)=O ZINC001599928775 1017669064 /nfs/dbraw/zinc/66/90/64/1017669064.db2.gz WZJAVMIXIDFSRB-VIFPVBQESA-N -1 0 302.356 -0.976 20 0 DBADRM Cc1nc[nH]c1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001599967774 1017670870 /nfs/dbraw/zinc/67/08/70/1017670870.db2.gz OCKUEMINGULOOP-NXEZZACHSA-N -1 0 306.322 -0.278 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC001599954715 1017670913 /nfs/dbraw/zinc/67/09/13/1017670913.db2.gz STNPQKQCVPZKAH-MRVPVSSYSA-N -1 0 315.351 -0.167 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCn2c(CO)nnc2C1 ZINC001599959042 1017671780 /nfs/dbraw/zinc/67/17/80/1017671780.db2.gz OBAUIPCNUKWHKG-UHFFFAOYSA-N -1 0 319.321 -0.196 20 0 DBADRM Cc1nc[nH]c1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001599967557 1017671976 /nfs/dbraw/zinc/67/19/76/1017671976.db2.gz JKFCAOUQIWAERU-UWVGGRQHSA-N -1 0 306.322 -0.277 20 0 DBADRM Cc1nc[nH]c1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C[C@H]21 ZINC001599967496 1017672221 /nfs/dbraw/zinc/67/22/21/1017672221.db2.gz GTZBXBREPBPUEV-OMHSBUABSA-N -1 0 318.333 -0.375 20 0 DBADRM C[C@]12CSC[C@H]1CN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C2 ZINC001599939007 1017672359 /nfs/dbraw/zinc/67/23/59/1017672359.db2.gz BUMWZHHGWXNSQI-LWINAJNOSA-N -1 0 304.343 -0.263 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C[C@H]21 ZINC001599969448 1017673311 /nfs/dbraw/zinc/67/33/11/1017673311.db2.gz WGLPIMYGAYWSNB-HKWYAPCNSA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1n[nH]cc1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001599969522 1017673856 /nfs/dbraw/zinc/67/38/56/1017673856.db2.gz YPUXAFVMYZRKQN-GZMMTYOYSA-N -1 0 301.324 -0.664 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001599968253 1017674072 /nfs/dbraw/zinc/67/40/72/1017674072.db2.gz NXHDRRWKYPVUHO-MRVPVSSYSA-N -1 0 318.337 -0.212 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001599969099 1017674832 /nfs/dbraw/zinc/67/48/32/1017674832.db2.gz IEPVCDSPEZCEBZ-ZETCQYMHSA-N -1 0 304.310 -0.141 20 0 DBADRM Cc1nc[nH]c1CC(=O)NCC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599968064 1017674931 /nfs/dbraw/zinc/67/49/31/1017674931.db2.gz JDRNQQRTHFIPSK-QWRGUYRKSA-N -1 0 320.349 -0.444 20 0 DBADRM Cc1n[nH]cc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599968958 1017675128 /nfs/dbraw/zinc/67/51/28/1017675128.db2.gz ZSLAJPFDUKZQMD-ZJUUUORDSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)C2(S(N)(=O)=O)CC2)n1C ZINC001599989757 1017676182 /nfs/dbraw/zinc/67/61/82/1017676182.db2.gz RAGQBDHAHZFXQI-UHFFFAOYSA-N -1 0 315.351 -0.531 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNS(=O)(=O)c2nncn2C)n1C ZINC001599995844 1017676183 /nfs/dbraw/zinc/67/61/83/1017676183.db2.gz NOZFLDCXRMSUHR-UHFFFAOYSA-N -1 0 313.339 -0.361 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)c2cn(C)c(=O)n2C)n1C ZINC001599992654 1017676542 /nfs/dbraw/zinc/67/65/42/1017676542.db2.gz BQIYTLBGKSAEKC-UHFFFAOYSA-N -1 0 306.322 -0.001 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@H](C)CCO)cnn1CC(=O)[O-] ZINC001600026210 1017677870 /nfs/dbraw/zinc/67/78/70/1017677870.db2.gz HZSZBRLDOUVNRD-MRVPVSSYSA-N -1 0 312.326 -0.651 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nnn1C ZINC001600024715 1017678097 /nfs/dbraw/zinc/67/80/97/1017678097.db2.gz KJQSDIXABAFCAK-IONNQARKSA-N -1 0 309.326 -0.369 20 0 DBADRM Cc1c(CC(=O)N2CC(O)(C(=O)[O-])C2)nnn1-c1ccccc1 ZINC001600008798 1017678105 /nfs/dbraw/zinc/67/81/05/1017678105.db2.gz BXIWHGOUBVLXEN-UHFFFAOYSA-N -1 0 316.317 -0.224 20 0 DBADRM Cc1c(C(=O)OCC(=O)NCC(=O)[O-])cnn1-c1ccncc1 ZINC001600007244 1017678201 /nfs/dbraw/zinc/67/82/01/1017678201.db2.gz SHOPADAXJHRRSU-UHFFFAOYSA-N -1 0 318.289 -0.067 20 0 DBADRM Cc1c([C@H](C)NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cnn1C ZINC001600009245 1017678290 /nfs/dbraw/zinc/67/82/90/1017678290.db2.gz UJPWYIHWJRZZNK-WCBMZHEXSA-N -1 0 308.338 -0.161 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cnn1C ZINC001600010551 1017678322 /nfs/dbraw/zinc/67/83/22/1017678322.db2.gz PYMMTHCEKUHSNO-KOLCDFICSA-N -1 0 308.338 -0.334 20 0 DBADRM Cc1c(NC(=O)C(=O)N(C)C[C@H]2CCOC2)cnn1CC(=O)[O-] ZINC001600025025 1017678373 /nfs/dbraw/zinc/67/83/73/1017678373.db2.gz QVOPVIONLBKONV-SNVBAGLBSA-N -1 0 324.337 -0.290 20 0 DBADRM Cc1c(NC(=O)C(=O)NCC(C)(C)CO)cnn1CC(=O)[O-] ZINC001600027046 1017678456 /nfs/dbraw/zinc/67/84/56/1017678456.db2.gz QCIDNGMCIXCCNU-UHFFFAOYSA-N -1 0 312.326 -0.651 20 0 DBADRM Cc1c(NC(=O)C(=O)NC2(CC(=O)[O-])CCCC2)nnn1C ZINC001600027732 1017678473 /nfs/dbraw/zinc/67/84/73/1017678473.db2.gz JKFIDFRFXCFMOL-UHFFFAOYSA-N -1 0 309.326 -0.034 20 0 DBADRM Cc1c(C(=O)O[C@@H]2COC[C@H]2n2cc(C(=O)[O-])nn2)cnn1C ZINC001600007439 1017678748 /nfs/dbraw/zinc/67/87/48/1017678748.db2.gz NSLKOBHSGWDCEP-GHMZBOCLSA-N -1 0 321.293 -0.185 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@@H](C)[C@H]2CO)cnn1CC(=O)[O-] ZINC001600025898 1017678824 /nfs/dbraw/zinc/67/88/24/1017678824.db2.gz JOLUTUWOVBBSJF-LDYMZIIASA-N -1 0 324.337 -0.556 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@H](C)[C@@H]2CO)cnn1CC(=O)[O-] ZINC001600025895 1017678937 /nfs/dbraw/zinc/67/89/37/1017678937.db2.gz JOLUTUWOVBBSJF-KWQFWETISA-N -1 0 324.337 -0.556 20 0 DBADRM Cc1c(NC(=O)[C@H](C)N2CCN(C)CC2)cnn1CC(=O)[O-] ZINC001600031200 1017679687 /nfs/dbraw/zinc/67/96/87/1017679687.db2.gz SFWXHSSGCNFLGR-NSHDSACASA-N -1 0 309.370 -0.149 20 0 DBADRM Cc1c(NC(=O)[C@@H](C)NS(C)(=O)=O)cnn1CC(=O)[O-] ZINC001600030963 1017679728 /nfs/dbraw/zinc/67/97/28/1017679728.db2.gz OLDLFQKKIKQWAG-ZCFIWIBFSA-N -1 0 304.328 -0.848 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCOCC(=O)[O-])cccc1C(N)=O ZINC001600028755 1017679762 /nfs/dbraw/zinc/67/97/62/1017679762.db2.gz LCVDLTUCINSQFK-UHFFFAOYSA-N -1 0 323.305 -0.750 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@@H]2CC[C@H](O)C2)cnn1CC(=O)[O-] ZINC001600028181 1017679867 /nfs/dbraw/zinc/67/98/67/1017679867.db2.gz ZYOZTSIMCGTFTD-ZJUUUORDSA-N -1 0 324.337 -0.508 20 0 DBADRM Cc1c(NC(=O)CCn2cc[nH]c(=O)c2=O)cnn1CC(=O)[O-] ZINC001600034129 1017680311 /nfs/dbraw/zinc/68/03/11/1017680311.db2.gz VJABAVSZCQIQQU-UHFFFAOYSA-N -1 0 321.293 -0.845 20 0 DBADRM Cc1cc(=O)[nH]c(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001600064719 1017681520 /nfs/dbraw/zinc/68/15/20/1017681520.db2.gz BGDOPGPHFLUVJJ-VHSXEESVSA-N -1 0 306.322 -0.140 20 0 DBADRM Cc1cc(=O)c(C(=O)OCCc2cn(CC(=O)[O-])nn2)c[nH]1 ZINC001600066451 1017681789 /nfs/dbraw/zinc/68/17/89/1017681789.db2.gz IVKDNVVTUYONFB-UHFFFAOYSA-N -1 0 306.278 -0.241 20 0 DBADRM Cc1cc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)ncc1C(N)=O ZINC001600080044 1017681892 /nfs/dbraw/zinc/68/18/92/1017681892.db2.gz MBGIUNDJPQFRLU-GFCCVEGCSA-N -1 0 321.333 -0.213 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001600066495 1017682569 /nfs/dbraw/zinc/68/25/69/1017682569.db2.gz JZQMHEFUZOOYFJ-UWVGGRQHSA-N -1 0 321.333 -0.046 20 0 DBADRM Cc1cc(C(=O)NC[C@H](O)CNc2ncc(C(=O)[O-])cn2)on1 ZINC001600091819 1017683365 /nfs/dbraw/zinc/68/33/65/1017683365.db2.gz JLXZONJDDNCCFR-VIFPVBQESA-N -1 0 321.293 -0.326 20 0 DBADRM Cc1cc(C(=O)NCCN(CCO)C(=O)[C@H]2C[C@H]2C(=O)[O-])co1 ZINC001600092653 1017683470 /nfs/dbraw/zinc/68/34/70/1017683470.db2.gz VPTAAGMATPOQJU-NWDGAFQWSA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2C(=O)[O-])co1 ZINC001600092657 1017684065 /nfs/dbraw/zinc/68/40/65/1017684065.db2.gz VPTAAGMATPOQJU-VXGBXAGGSA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n(C)n1 ZINC001600093674 1017684208 /nfs/dbraw/zinc/68/42/08/1017684208.db2.gz OCPOCVOAKKYTBJ-MNOVXSKESA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)no1 ZINC001600080713 1017684239 /nfs/dbraw/zinc/68/42/39/1017684239.db2.gz JNLGWRXFOHCSHH-ZJUUUORDSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1cc(C(=O)NCCNS(=O)(=O)N(C)C)oc1C(=O)[O-] ZINC001600092790 1017684312 /nfs/dbraw/zinc/68/43/12/1017684312.db2.gz BBSVBBOVCNNLCH-UHFFFAOYSA-N -1 0 319.339 -0.588 20 0 DBADRM Cc1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)ncc1C(N)=O ZINC001600083669 1017684329 /nfs/dbraw/zinc/68/43/29/1017684329.db2.gz HSBMNMVELVRDCK-SECBINFHSA-N -1 0 307.306 -0.195 20 0 DBADRM Cc1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001600093548 1017684355 /nfs/dbraw/zinc/68/43/55/1017684355.db2.gz GMBAUWAGFYRLEQ-UWVGGRQHSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001600119188 1017685165 /nfs/dbraw/zinc/68/51/65/1017685165.db2.gz KXQMBMFSJJCJPL-JTQLQIEISA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1cc(C(=O)[O-])nc(NC2CCN(S(N)(=O)=O)CC2)n1 ZINC001600128280 1017685523 /nfs/dbraw/zinc/68/55/23/1017685523.db2.gz ZBXXMTLOTYNMSO-UHFFFAOYSA-N -1 0 315.355 -0.437 20 0 DBADRM Cc1cc([C@@H](NC(=O)CN2C(=O)CNC2=O)C(=O)[O-])ccc1F ZINC001600145750 1017686002 /nfs/dbraw/zinc/68/60/02/1017686002.db2.gz IAAHHQXRFBOUGW-GFCCVEGCSA-N -1 0 323.280 -0.072 20 0 DBADRM Cc1cc([C@@H](C)N2CCN3C(=O)C(=O)NC[C@@H]3C2)oc1C(=O)[O-] ZINC001600149162 1017686096 /nfs/dbraw/zinc/68/60/96/1017686096.db2.gz HVHKQDKVAKEQFY-NXEZZACHSA-N -1 0 321.333 -0.010 20 0 DBADRM Cc1cc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n[nH]1 ZINC001600187426 1017687160 /nfs/dbraw/zinc/68/71/60/1017687160.db2.gz ZPSGZKXTSJVRCY-CNVPUSNMSA-N -1 0 320.349 -0.255 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCSC[C@H]2C(=O)[O-])c(=O)n1 ZINC001600177208 1017687186 /nfs/dbraw/zinc/68/71/86/1017687186.db2.gz AZJFJGAPZJRVDT-JTQLQIEISA-N -1 0 311.363 -0.111 20 0 DBADRM Cc1cc(CC(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001600187281 1017687235 /nfs/dbraw/zinc/68/72/35/1017687235.db2.gz CHIIFPAVXGEZNH-VXGBXAGGSA-N -1 0 320.349 -0.349 20 0 DBADRM Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])c(C)n1 ZINC001600162127 1017687305 /nfs/dbraw/zinc/68/73/05/1017687305.db2.gz FKZMMWQBWKSAQB-JTQLQIEISA-N -1 0 309.322 -0.103 20 0 DBADRM Cc1cc(C)cc(CCNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001600172591 1017688090 /nfs/dbraw/zinc/68/80/90/1017688090.db2.gz YRFDWUDGGOHGTJ-UHFFFAOYSA-N -1 0 320.345 -0.380 20 0 DBADRM Cc1cc(CC(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n(C)n1 ZINC001600186990 1017688101 /nfs/dbraw/zinc/68/81/01/1017688101.db2.gz DSOXHMCHNZPNGA-GHMZBOCLSA-N -1 0 308.338 -0.776 20 0 DBADRM Cc1ccc(C(=O)NC[C@H](F)C(=O)[O-])cc1S(N)(=O)=O ZINC001600339736 1017697264 /nfs/dbraw/zinc/69/72/64/1017697264.db2.gz AMHDRJFCSSZJBA-QMMMGPOBSA-N -1 0 304.299 -0.205 20 0 DBADRM Cc1cc(CNCCN(CCO)C(=O)[C@H]2C[C@H]2C(=O)[O-])nn1C ZINC001600205458 1017689478 /nfs/dbraw/zinc/68/94/78/1017689478.db2.gz KHRVOLWRGBUQEL-QWHCGFSZSA-N -1 0 324.381 -0.640 20 0 DBADRM Cc1cc(N(C)CCNC(=O)N(C)C)n2nc(C(=O)[O-])nc2n1 ZINC001600235887 1017689616 /nfs/dbraw/zinc/68/96/16/1017689616.db2.gz XJBZBOAIDBTJAU-UHFFFAOYSA-N -1 0 321.341 -0.162 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])no1 ZINC001600214686 1017689912 /nfs/dbraw/zinc/68/99/12/1017689912.db2.gz DXPQFEZHOGSXDZ-VIFPVBQESA-N -1 0 317.323 -0.960 20 0 DBADRM Cc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nc(CO)n1 ZINC001600240678 1017691966 /nfs/dbraw/zinc/69/19/66/1017691966.db2.gz VBQUCMVAKGZOJA-MNOVXSKESA-N -1 0 320.349 -0.353 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cn(C)c1=O ZINC001600245083 1017692210 /nfs/dbraw/zinc/69/22/10/1017692210.db2.gz ZZZZPAMCBREKOW-OAHLLOKOSA-N -1 0 321.333 -0.045 20 0 DBADRM Cc1cc(N2CCS(=O)(=O)CC2)n2nc(C(=O)[O-])nc2n1 ZINC001600242290 1017692226 /nfs/dbraw/zinc/69/22/26/1017692226.db2.gz GFSSVPLLGZSHEN-UHFFFAOYSA-N -1 0 311.323 -0.634 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@H]2COCCO2)c(C(=O)[O-])[nH]1 ZINC001600248554 1017693625 /nfs/dbraw/zinc/69/36/25/1017693625.db2.gz KLVFYFUOMFMYJO-QMMMGPOBSA-N -1 0 311.294 -0.509 20 0 DBADRM Cc1cc(NCCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])nc(CO)n1 ZINC001600281005 1017694122 /nfs/dbraw/zinc/69/41/22/1017694122.db2.gz OJYUHDUKXFOVKJ-UWVGGRQHSA-N -1 0 308.338 -0.084 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCc2ncn(C)n2)c(C(=O)[O-])[nH]1 ZINC001600250267 1017694183 /nfs/dbraw/zinc/69/41/83/1017694183.db2.gz JCCZQTGEXSEHFR-UHFFFAOYSA-N -1 0 306.282 -0.595 20 0 DBADRM Cc1cc(NCCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nc(CO)n1 ZINC001600281008 1017694330 /nfs/dbraw/zinc/69/43/30/1017694330.db2.gz OJYUHDUKXFOVKJ-ZJUUUORDSA-N -1 0 308.338 -0.084 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCn2ncnn2)c(C(=O)[O-])s1 ZINC001600264029 1017694335 /nfs/dbraw/zinc/69/43/35/1017694335.db2.gz SDPIQAZKGRPWGZ-UHFFFAOYSA-N -1 0 324.322 -0.504 20 0 DBADRM Cc1cc(S(=O)(=O)NCc2cn(C)nn2)oc1C(=O)[O-] ZINC001600300128 1017695781 /nfs/dbraw/zinc/69/57/81/1017695781.db2.gz BNSRMESTELRXKP-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCC[C@](O)(CO)C2)oc1C(=O)[O-] ZINC001600294759 1017695893 /nfs/dbraw/zinc/69/58/93/1017695893.db2.gz OGARJOWUMRISAY-GFCCVEGCSA-N -1 0 319.335 -0.206 20 0 DBADRM Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001600302033 1017695964 /nfs/dbraw/zinc/69/59/64/1017695964.db2.gz JDWBSYXPACQYFR-LURJTMIESA-N -1 0 322.364 -0.731 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])sn1 ZINC001600300354 1017696045 /nfs/dbraw/zinc/69/60/45/1017696045.db2.gz KURVZBGTILJTSH-BQBZGAKWSA-N -1 0 321.380 -0.292 20 0 DBADRM Cc1cc(S(=O)(=O)NCCn2cncn2)oc1C(=O)[O-] ZINC001600299831 1017696207 /nfs/dbraw/zinc/69/62/07/1017696207.db2.gz KRBIDBRSPIOPLF-UHFFFAOYSA-N -1 0 300.296 -0.144 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@]2(C)CCNC2=O)oc1C(=O)[O-] ZINC001600297617 1017696505 /nfs/dbraw/zinc/69/65/05/1017696505.db2.gz SZTTZHOILWAWBY-NSHDSACASA-N -1 0 302.308 -0.157 20 0 DBADRM Cc1ccc(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c(=O)n1C ZINC001600415549 1017697299 /nfs/dbraw/zinc/69/72/99/1017697299.db2.gz SQLABFJCWVSRJX-NWDGAFQWSA-N -1 0 323.349 -0.329 20 0 DBADRM Cc1ccc(C(=O)N[C@@](C)(CO)C(=O)[O-])cc1S(N)(=O)=O ZINC001600337864 1017697442 /nfs/dbraw/zinc/69/74/42/1017697442.db2.gz OUDYVYZALHXIPP-LBPRGKRZSA-N -1 0 316.335 -0.792 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cccc(=O)[nH]1 ZINC001498255280 1017697651 /nfs/dbraw/zinc/69/76/51/1017697651.db2.gz QTDAKGCGVDGZAV-MRVPVSSYSA-N -1 0 306.326 -0.139 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CC(=O)N(C)C1 ZINC001600348278 1017697828 /nfs/dbraw/zinc/69/78/28/1017697828.db2.gz BMUIRGFQXPJFHW-UHFFFAOYSA-N -1 0 305.290 -0.110 20 0 DBADRM Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001600331517 1017697937 /nfs/dbraw/zinc/69/79/37/1017697937.db2.gz GLZHJAKCCHBNBY-MNOVXSKESA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1ccc([C@@H](C)CNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001600369426 1017698046 /nfs/dbraw/zinc/69/80/46/1017698046.db2.gz NLVYLRFCNHRKGE-NSHDSACASA-N -1 0 320.345 -0.127 20 0 DBADRM Cc1ccc(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c(=O)n1C ZINC001600415551 1017698219 /nfs/dbraw/zinc/69/82/19/1017698219.db2.gz SQLABFJCWVSRJX-RYUDHWBXSA-N -1 0 323.349 -0.329 20 0 DBADRM Cc1ccc(C(=O)NCCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])nn1 ZINC001600340882 1017698230 /nfs/dbraw/zinc/69/82/30/1017698230.db2.gz YTJQIGIIFJCXME-VHSXEESVSA-N -1 0 306.322 -0.258 20 0 DBADRM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)CN1CCNC(=O)C1 ZINC001600344282 1017698388 /nfs/dbraw/zinc/69/83/88/1017698388.db2.gz GJAAHZIHYNEONR-UHFFFAOYSA-N -1 0 307.306 -0.231 20 0 DBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)NC[C@@H](O)CC(=O)[O-])C2=O ZINC001600491878 1017699400 /nfs/dbraw/zinc/69/94/00/1017699400.db2.gz ANOCEVNVHSIBGJ-VIFPVBQESA-N -1 0 320.301 -0.457 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(=O)[nH]1 ZINC001600440601 1017699876 /nfs/dbraw/zinc/69/98/76/1017699876.db2.gz ZYWKFCFANAGLRE-SECBINFHSA-N -1 0 309.278 -0.654 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001600439828 1017700054 /nfs/dbraw/zinc/70/00/54/1017700054.db2.gz PYWYNFYDCMBUIK-GHMZBOCLSA-N -1 0 307.306 -0.235 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001600595530 1017700949 /nfs/dbraw/zinc/70/09/49/1017700949.db2.gz IBNRKWVXMUWWAC-NXEZZACHSA-N -1 0 309.322 -0.007 20 0 DBADRM Cc1cccc([C@@H](CC(=O)N2CC(O)(C(=O)[O-])C2)NC(N)=O)c1 ZINC001600518161 1017701039 /nfs/dbraw/zinc/70/10/39/1017701039.db2.gz KOGVQNPYFJVRAC-LLVKDONJSA-N -1 0 321.333 -0.248 20 0 DBADRM Cc1ccn([C@H](C)CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC001600594958 1017701067 /nfs/dbraw/zinc/70/10/67/1017701067.db2.gz XGRBLJZDRHNUME-GHMZBOCLSA-N -1 0 308.338 -0.056 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@H](CCF)C(=O)[O-] ZINC001600509628 1017701382 /nfs/dbraw/zinc/70/13/82/1017701382.db2.gz FFKHRFRCUFEOAJ-YGRLFVJLSA-N -1 0 314.313 -0.163 20 0 DBADRM Cc1ccn(CC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])c(=O)c1 ZINC001600595131 1017701521 /nfs/dbraw/zinc/70/15/21/1017701521.db2.gz GGTOUQBZEOHVGZ-JTQLQIEISA-N -1 0 305.294 -0.982 20 0 DBADRM Cc1ccn([C@H](C)CC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])n1 ZINC001600594583 1017701836 /nfs/dbraw/zinc/70/18/36/1017701836.db2.gz GFFQKUNYUVAZQJ-GHMZBOCLSA-N -1 0 308.338 -0.104 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)N[C@@H](CF)C(=O)[O-])c(=O)c1 ZINC001600595153 1017702439 /nfs/dbraw/zinc/70/24/39/1017702439.db2.gz HMCBJLQGLXKBBO-ZANVPECISA-N -1 0 300.286 -0.553 20 0 DBADRM Cc1ccn2ncc(C(=O)N3CC(=O)N(C)C[C@@H]3C(=O)[O-])c2n1 ZINC001600596429 1017702668 /nfs/dbraw/zinc/70/26/68/1017702668.db2.gz LPJKLPSRIGOGOT-SNVBAGLBSA-N -1 0 317.305 -0.595 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600611211 1017702885 /nfs/dbraw/zinc/70/28/85/1017702885.db2.gz BLNZIOFXNJYMHD-XWLWVQCSSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1ccnn1CC(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600608051 1017703089 /nfs/dbraw/zinc/70/30/89/1017703089.db2.gz VGQGCPUVBLWYBM-NWDGAFQWSA-N -1 0 320.349 -0.419 20 0 DBADRM Cc1ccn(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600595848 1017703325 /nfs/dbraw/zinc/70/33/25/1017703325.db2.gz ZHSCMTUWRKTBKU-DDHJBXDOSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1cn(C)nc1C(=O)NCCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600611284 1017703778 /nfs/dbraw/zinc/70/37/78/1017703778.db2.gz FDLXMRAMZKORML-VHSXEESVSA-N -1 0 308.338 -0.315 20 0 DBADRM Cc1ccnc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])c1 ZINC001600599884 1017703852 /nfs/dbraw/zinc/70/38/52/1017703852.db2.gz JCWUEKJYQRNGFV-RYUDHWBXSA-N -1 0 318.333 -0.031 20 0 DBADRM Cc1ccnc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1 ZINC001600601743 1017704072 /nfs/dbraw/zinc/70/40/72/1017704072.db2.gz VEDALXWWYXSZEG-SNVBAGLBSA-N -1 0 306.322 -0.276 20 0 DBADRM Cc1cnc(CN2CC(O)(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001600620792 1017704806 /nfs/dbraw/zinc/70/48/06/1017704806.db2.gz RLHHICCICYCTQM-VHSXEESVSA-N -1 0 309.322 -0.633 20 0 DBADRM Cc1cnc(C(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])cn1 ZINC001600616537 1017705449 /nfs/dbraw/zinc/70/54/49/1017705449.db2.gz CFRBJNLQKLIRJI-UHFFFAOYSA-N -1 0 307.266 -0.170 20 0 DBADRM Cc1cnc(Cn2cnc3c(cnn3CC(=O)[O-])c2=O)cn1 ZINC001600623134 1017705560 /nfs/dbraw/zinc/70/55/60/1017705560.db2.gz FJKXTOORAXMRKK-UHFFFAOYSA-N -1 0 300.278 -0.176 20 0 DBADRM Cc1cn2nc(C(=O)N3CC[C@@](F)(C(=O)[O-])C3)cc2c(=O)[nH]1 ZINC001600614326 1017705784 /nfs/dbraw/zinc/70/57/84/1017705784.db2.gz DBGVEQXJFDDSNH-ZDUSSCGKSA-N -1 0 308.269 -0.030 20 0 DBADRM Cc1cnc2nc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)nn2c1 ZINC001600627115 1017705849 /nfs/dbraw/zinc/70/58/49/1017705849.db2.gz MPUDTZSVAJTYHM-SECBINFHSA-N -1 0 305.294 -0.252 20 0 DBADRM Cc1cn2cc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])ccc2n1 ZINC001600613798 1017706076 /nfs/dbraw/zinc/70/60/76/1017706076.db2.gz WBUORMWUNBWYSL-SNVBAGLBSA-N -1 0 320.305 -0.467 20 0 DBADRM Cc1cnn(CC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)c1 ZINC001600636378 1017706397 /nfs/dbraw/zinc/70/63/97/1017706397.db2.gz DBKGARKAAHGEAH-UHFFFAOYSA-N -1 0 315.351 -0.660 20 0 DBADRM Cc1cnn(C)c1C(=O)NCCCNc1ccnc(C(=O)[O-])n1 ZINC001600635353 1017706723 /nfs/dbraw/zinc/70/67/23/1017706723.db2.gz MANNHGXJNBBNAL-UHFFFAOYSA-N -1 0 318.337 -0.129 20 0 DBADRM Cc1cnn(C)c1NC(=O)C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC001600635414 1017707141 /nfs/dbraw/zinc/70/71/41/1017707141.db2.gz HGLTVADOEDOHQW-ZETCQYMHSA-N -1 0 316.264 -0.012 20 0 DBADRM Cc1cncn1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600631571 1017707327 /nfs/dbraw/zinc/70/73/27/1017707327.db2.gz CXUUTWRKNUKCTR-WHOHXGKFSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001600635695 1017707488 /nfs/dbraw/zinc/70/74/88/1017707488.db2.gz SKDSRHLTNRGSHM-BDAKNGLRSA-N -1 0 303.340 -0.673 20 0 DBADRM Cc1cnccc1CC(=O)NCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600630103 1017707642 /nfs/dbraw/zinc/70/76/42/1017707642.db2.gz NDOCIWZBKAIJMT-NEPJUHHUSA-N -1 0 305.334 -0.114 20 0 DBADRM Cc1cnn(CC(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)c1 ZINC001600637681 1017709682 /nfs/dbraw/zinc/70/96/82/1017709682.db2.gz UTLPJEIVPUCZNU-UHFFFAOYSA-N -1 0 318.337 -0.328 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC001600643734 1017709906 /nfs/dbraw/zinc/70/99/06/1017709906.db2.gz RDEIWRIRAHUZNK-RKDXNWHRSA-N -1 0 310.306 -0.022 20 0 DBADRM Cc1conc1CS(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001600644921 1017710158 /nfs/dbraw/zinc/71/01/58/1017710158.db2.gz JOZJCUSYVMNANL-UHFFFAOYSA-N -1 0 304.324 -0.276 20 0 DBADRM Cc1nnc(CC(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]1 ZINC001600670875 1017710645 /nfs/dbraw/zinc/71/06/45/1017710645.db2.gz AQYKANNDJGMBIU-UWVGGRQHSA-N -1 0 321.337 -0.954 20 0 DBADRM Cc1nc(N2CCN(C(=O)CCSCC(=O)[O-])CC2)n[nH]1 ZINC001600670756 1017710746 /nfs/dbraw/zinc/71/07/46/1017710746.db2.gz LAVKICMMDGPFCH-UHFFFAOYSA-N -1 0 313.383 -0.030 20 0 DBADRM Cc1nnc(CC(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)[nH]1 ZINC001600670949 1017711143 /nfs/dbraw/zinc/71/11/43/1017711143.db2.gz CSTXYPDWCFMNHS-UHFFFAOYSA-N -1 0 319.325 -0.864 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600668167 1017711188 /nfs/dbraw/zinc/71/11/88/1017711188.db2.gz QDKLFVKALQFIRX-RYUDHWBXSA-N -1 0 320.349 -0.383 20 0 DBADRM Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001600667450 1017712302 /nfs/dbraw/zinc/71/23/02/1017712302.db2.gz TZPULVIMNIXHIK-XCBNKYQSSA-N -1 0 308.338 -0.068 20 0 DBADRM Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001600667893 1017712319 /nfs/dbraw/zinc/71/23/19/1017712319.db2.gz JIYIHOZVKBUYEL-PELKAZGASA-N -1 0 322.365 -0.041 20 0 DBADRM Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001600667449 1017712490 /nfs/dbraw/zinc/71/24/90/1017712490.db2.gz TZPULVIMNIXHIK-OIBJUYFYSA-N -1 0 308.338 -0.068 20 0 DBADRM Cc1nnc(CN(CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])C2CC2)[nH]1 ZINC001600671391 1017712909 /nfs/dbraw/zinc/71/29/09/1017712909.db2.gz KTQQDKZQCBGVAS-WDEREUQCSA-N -1 0 307.354 -0.086 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCCn2cncn2)c1C(=O)[O-] ZINC001600674667 1017712883 /nfs/dbraw/zinc/71/28/83/1017712883.db2.gz USZLQBNKXVQKQT-UHFFFAOYSA-N -1 0 314.327 -0.624 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]1 ZINC001600671525 1017713160 /nfs/dbraw/zinc/71/31/60/1017713160.db2.gz MASSPFVPCSSMII-AATLWQCWSA-N -1 0 321.337 -0.860 20 0 DBADRM Cc1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(=O)[O-])[nH]1 ZINC001600671690 1017714210 /nfs/dbraw/zinc/71/42/10/1017714210.db2.gz VBRGHUVULHJGRX-KUNJHIDRSA-N -1 0 305.338 -0.620 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@H]2CC[C@@H](O)C2)c1C(=O)[O-] ZINC001600673570 1017714238 /nfs/dbraw/zinc/71/42/38/1017714238.db2.gz KELIDSHDOHJMGC-JGVFFNPUSA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1nnc(CN(CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C2CC2)[nH]1 ZINC001600671390 1017714942 /nfs/dbraw/zinc/71/49/42/1017714942.db2.gz KTQQDKZQCBGVAS-QWRGUYRKSA-N -1 0 307.354 -0.086 20 0 DBADRM Cc1nc(SCC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)n[nH]1 ZINC001600674126 1017715178 /nfs/dbraw/zinc/71/51/78/1017715178.db2.gz BNIAMKBGQMFWBW-JGVFFNPUSA-N -1 0 300.340 -0.501 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCC[S@@](C)=O)c1C(=O)[O-] ZINC001600673611 1017715342 /nfs/dbraw/zinc/71/53/42/1017715342.db2.gz KMGGBVWSHQKFNZ-GOSISDBHSA-N -1 0 309.369 -0.537 20 0 DBADRM Cc1nc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c[nH]1 ZINC001600682047 1017715894 /nfs/dbraw/zinc/71/58/94/1017715894.db2.gz DQWSXXILHMJIDI-NXEZZACHSA-N -1 0 306.322 -0.278 20 0 DBADRM Cc1nc(C(=O)N2CC[C@@H](Nc3ccnc(C(=O)[O-])n3)C2)c[nH]1 ZINC001600683082 1017715937 /nfs/dbraw/zinc/71/59/37/1017715937.db2.gz XTKLIZCFEKRSCK-SECBINFHSA-N -1 0 316.321 -0.045 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C[C@H]21 ZINC001600675986 1017716293 /nfs/dbraw/zinc/71/62/93/1017716293.db2.gz ZKSGBGZTUCPYKF-HTFKAIDBSA-N -1 0 319.321 -0.980 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001600675555 1017716556 /nfs/dbraw/zinc/71/65/56/1017716556.db2.gz FSGFSMRWTBTDHJ-VIFPVBQESA-N -1 0 317.309 -0.390 20 0 DBADRM Cc1n[nH]nc1C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600675996 1017716566 /nfs/dbraw/zinc/71/65/66/1017716566.db2.gz ZURQRLITMCEDPR-ZJUUUORDSA-N -1 0 323.353 -0.246 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C[C@H]21 ZINC001600675987 1017716769 /nfs/dbraw/zinc/71/67/69/1017716769.db2.gz ZKSGBGZTUCPYKF-KSFAHDSMSA-N -1 0 319.321 -0.980 20 0 DBADRM Cc1nc(C)c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])[nH]1 ZINC001600683004 1017717037 /nfs/dbraw/zinc/71/70/37/1017717037.db2.gz SRUQXYSMLQVGEC-MRVPVSSYSA-N -1 0 301.324 -0.650 20 0 DBADRM Cc1nc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)co1 ZINC001600682527 1017717162 /nfs/dbraw/zinc/71/71/62/1017717162.db2.gz FUXPSIDYZYYFJF-ZJUUUORDSA-N -1 0 307.306 -0.108 20 0 DBADRM CCn1ccc(CC(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001498288701 1017717552 /nfs/dbraw/zinc/71/75/52/1017717552.db2.gz NESQSYAVKHYTNB-SNVBAGLBSA-N -1 0 321.385 -0.094 20 0 DBADRM Cc1nc(CN2CC(CCO)(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)co1 ZINC001600700340 1017718154 /nfs/dbraw/zinc/71/81/54/1017718154.db2.gz KLTAKZMTYOULQW-VXGBXAGGSA-N -1 0 323.349 -0.243 20 0 DBADRM Cc1nc(CCn2nnnc2N2CCO[C@H](C(=O)[O-])C2)cs1 ZINC001600699743 1017718399 /nfs/dbraw/zinc/71/83/99/1017718399.db2.gz SIEQKSBKZBIHEK-JTQLQIEISA-N -1 0 324.366 -0.029 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N[C@@H](CCF)C(=O)[O-])nn2)no1 ZINC001600709336 1017718649 /nfs/dbraw/zinc/71/86/49/1017718649.db2.gz MLRDTGQMJAZGOZ-ZETCQYMHSA-N -1 0 312.261 -0.440 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N[C@H](CCF)C(=O)[O-])nn2)no1 ZINC001600709331 1017718798 /nfs/dbraw/zinc/71/87/98/1017718798.db2.gz MLRDTGQMJAZGOZ-SSDOTTSWSA-N -1 0 312.261 -0.440 20 0 DBADRM Cc1nc([C@@H]2COCCN2C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)no1 ZINC001600694056 1017719094 /nfs/dbraw/zinc/71/90/94/1017719094.db2.gz DCCFKLDEJLFFDC-AEJSXWLSSA-N -1 0 311.294 -0.090 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)[nH]1 ZINC001600699930 1017719430 /nfs/dbraw/zinc/71/94/30/1017719430.db2.gz DTGNLMMBHODQGH-PHIMTYICSA-N -1 0 307.354 -0.132 20 0 DBADRM Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C2 ZINC001600724600 1017720191 /nfs/dbraw/zinc/72/01/91/1017720191.db2.gz VJHPXVXOKRPMJA-GARJFASQSA-N -1 0 307.350 -0.122 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC(C(=O)[O-])C1 ZINC001600731742 1017720258 /nfs/dbraw/zinc/72/02/58/1017720258.db2.gz GSCSLTVALKXDLA-UHFFFAOYSA-N -1 0 304.310 -0.591 20 0 DBADRM Cc1ncc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1C ZINC001600732944 1017720752 /nfs/dbraw/zinc/72/07/52/1017720752.db2.gz HUDJMMHSBYSUSI-NXEZZACHSA-N -1 0 308.338 -0.363 20 0 DBADRM Cc1nc2ccnn2c(C)c1C(=O)NCC(=O)NCC(=O)[O-] ZINC001600729787 1017720951 /nfs/dbraw/zinc/72/09/51/1017720951.db2.gz HBZLNJJWVCBREA-UHFFFAOYSA-N -1 0 305.294 -0.723 20 0 DBADRM Cc1ncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1C ZINC001600734457 1017720989 /nfs/dbraw/zinc/72/09/89/1017720989.db2.gz WSPCUBUAKJFRSF-XWLWVQCSSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1ncc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c(N)n1 ZINC001600733241 1017721075 /nfs/dbraw/zinc/72/10/75/1017721075.db2.gz LPPRVDKASXKTMJ-SECBINFHSA-N -1 0 307.310 -0.827 20 0 DBADRM Cc1nc2ccccc2c(=O)n1CC(=O)N[C@H](CO)C(=O)[O-] ZINC001600728779 1017721299 /nfs/dbraw/zinc/72/12/99/1017721299.db2.gz YISDKNAZHUYGDM-LLVKDONJSA-N -1 0 305.290 -0.733 20 0 DBADRM Cc1ncc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c(N)n1 ZINC001600733242 1017721440 /nfs/dbraw/zinc/72/14/40/1017721440.db2.gz LPPRVDKASXKTMJ-VIFPVBQESA-N -1 0 307.310 -0.827 20 0 DBADRM Cc1nccc(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)n1 ZINC001600748795 1017722202 /nfs/dbraw/zinc/72/22/02/1017722202.db2.gz JBORHXGPKRKRFK-JOYOIKCWSA-N -1 0 313.335 -0.597 20 0 DBADRM Cc1ncc(CN2CC(CCO)(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001600736126 1017723033 /nfs/dbraw/zinc/72/30/33/1017723033.db2.gz QFTPRFFIVDHVTE-NWDGAFQWSA-N -1 0 323.349 -0.243 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CC(=O)N[C@@H](C)C2)cc1C(=O)[O-] ZINC001600741516 1017723304 /nfs/dbraw/zinc/72/33/04/1017723304.db2.gz HDCGNOARHQOVRJ-ZETCQYMHSA-N -1 0 313.335 -0.403 20 0 DBADRM Cc1ncc(NC(=O)c2cn(C)c(=O)n(C)c2=O)cc1C(=O)[O-] ZINC001600742032 1017723691 /nfs/dbraw/zinc/72/36/91/1017723691.db2.gz HDTUMHMWRBQGSW-UHFFFAOYSA-N -1 0 318.289 -0.262 20 0 DBADRM Cc1ncc2n1C[C@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])CC2 ZINC001600749759 1017724015 /nfs/dbraw/zinc/72/40/15/1017724015.db2.gz YIFVVASMVMXDCS-PWSUYJOCSA-N -1 0 318.337 -0.385 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001600757385 1017724178 /nfs/dbraw/zinc/72/41/78/1017724178.db2.gz VTBJWBUYMJKWLD-UHFFFAOYSA-N -1 0 308.338 -0.369 20 0 DBADRM Cc1ncoc1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600758142 1017724457 /nfs/dbraw/zinc/72/44/57/1017724457.db2.gz AIIDQPJTFBRTQU-UWVGGRQHSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1ncc2n1C[C@H](C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-])CC2 ZINC001600749639 1017724732 /nfs/dbraw/zinc/72/47/32/1017724732.db2.gz USYTVBNTFWOENM-ZYHUDNBSSA-N -1 0 320.349 -0.492 20 0 DBADRM Cc1ncn(C)c1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600758577 1017725685 /nfs/dbraw/zinc/72/56/85/1017725685.db2.gz PUZAQHZEYMNVEU-VHSXEESVSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)OCC(=O)C2(C(=O)[O-])CC2)c1C ZINC001600767197 1017726169 /nfs/dbraw/zinc/72/61/69/1017726169.db2.gz OUSYXUANWQWERX-UHFFFAOYSA-N -1 0 308.290 -0.012 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001600765945 1017726359 /nfs/dbraw/zinc/72/63/59/1017726359.db2.gz WVTGOQUZFLFGMX-CQSZACIVSA-N -1 0 317.305 -0.056 20 0 DBADRM Cc1ncn(C)c1C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001498310680 1017726479 /nfs/dbraw/zinc/72/64/79/1017726479.db2.gz GVXAVLQSSNDMFI-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001600767984 1017726819 /nfs/dbraw/zinc/72/68/19/1017726819.db2.gz CNIZENWTMODOJY-LLVKDONJSA-N -1 0 322.365 -0.306 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001600769254 1017726857 /nfs/dbraw/zinc/72/68/57/1017726857.db2.gz RDNVMGQLQREJLQ-KWQFWETISA-N -1 0 322.365 -0.106 20 0 DBADRM Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H](CO)C(=O)[O-])[nH]n1 ZINC001600767971 1017727008 /nfs/dbraw/zinc/72/70/08/1017727008.db2.gz BCXZWWKTVZPPPK-JTQLQIEISA-N -1 0 307.310 -0.398 20 0 DBADRM Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@H](O)CC(=O)[O-])[nH]n1 ZINC001600768003 1017727212 /nfs/dbraw/zinc/72/72/12/1017727212.db2.gz DLMWZRVVJSYESP-SECBINFHSA-N -1 0 321.337 -0.008 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001600771227 1017727223 /nfs/dbraw/zinc/72/72/23/1017727223.db2.gz XPADWQSPYTVUJU-WDEREUQCSA-N -1 0 311.338 -0.290 20 0 DBADRM Cc1nn(C)c(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1C ZINC001600772157 1017727553 /nfs/dbraw/zinc/72/75/53/1017727553.db2.gz AMKCPNKTVYGHEZ-VHSXEESVSA-N -1 0 324.337 -0.588 20 0 DBADRM Cc1nn(-c2ccccn2)c(C)c1CC(=O)NC[C@H](O)C(=O)[O-] ZINC001600765118 1017727616 /nfs/dbraw/zinc/72/76/16/1017727616.db2.gz DSUZOYBRABKTTI-LBPRGKRZSA-N -1 0 318.333 -0.012 20 0 DBADRM Cc1nn(C)cc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600776175 1017728107 /nfs/dbraw/zinc/72/81/07/1017728107.db2.gz LISZLRUNUAAXTO-GHMZBOCLSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1nn(C)c(NC(=O)CN2CCC(=O)NC2=O)c1C(=O)[O-] ZINC001600773040 1017728714 /nfs/dbraw/zinc/72/87/14/1017728714.db2.gz FZWKSNGAKGCELM-UHFFFAOYSA-N -1 0 309.282 -0.693 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001600772655 1017728727 /nfs/dbraw/zinc/72/87/27/1017728727.db2.gz MSTGGBKMNAOKKN-SNVBAGLBSA-N -1 0 323.758 -0.408 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001600777987 1017728949 /nfs/dbraw/zinc/72/89/49/1017728949.db2.gz UDZKEWWSRQJKBN-PSASIEDQSA-N -1 0 303.340 -0.673 20 0 DBADRM Cc1nn(CC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c(=O)o1 ZINC001600778669 1017729198 /nfs/dbraw/zinc/72/91/98/1017729198.db2.gz NIWFQXWSEKHZEQ-TVQRCGJNSA-N -1 0 311.294 -0.906 20 0 DBADRM Cc1nnc(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])s1 ZINC001600792367 1017730187 /nfs/dbraw/zinc/73/01/87/1017730187.db2.gz MSYMAXPRSTVBOW-ZETCQYMHSA-N -1 0 319.364 -0.901 20 0 DBADRM Cc1nn(CC(F)F)c(C)c1C(=O)NCC(=O)NCC(=O)[O-] ZINC001600782380 1017730394 /nfs/dbraw/zinc/73/03/94/1017730394.db2.gz FKYJEMXFSDZOQC-UHFFFAOYSA-N -1 0 318.280 -0.304 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)CN1CCCNC1=O ZINC001600781675 1017730419 /nfs/dbraw/zinc/73/04/19/1017730419.db2.gz WKRHXPXOHWUASL-UHFFFAOYSA-N -1 0 323.353 -0.384 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@@H]1OCCN(C)C1=O ZINC001600781134 1017730801 /nfs/dbraw/zinc/73/08/01/1017730801.db2.gz PHUJVMYCZMESCV-LBPRGKRZSA-N -1 0 324.337 -0.942 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)c1cc(=O)n(C)cn1 ZINC001600779870 1017731041 /nfs/dbraw/zinc/73/10/41/1017731041.db2.gz PBIVDLLAYHQDIH-UHFFFAOYSA-N -1 0 319.321 -0.392 20 0 DBADRM Cc1nn(CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)c(=O)n1C ZINC001600779131 1017731198 /nfs/dbraw/zinc/73/11/98/1017731198.db2.gz TVLWNGJOYRTSCH-WOPDTQHZSA-N -1 0 322.365 -0.008 20 0 DBADRM Cc1nnc(CNS(=O)(=O)c2occc2C(=O)[O-])n1C ZINC001600795242 1017731821 /nfs/dbraw/zinc/73/18/21/1017731821.db2.gz OZSFZHHCGSUUHX-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccnn1C)CC2 ZINC001600799968 1017731888 /nfs/dbraw/zinc/73/18/88/1017731888.db2.gz IQSREDIBBPBVQQ-BXKDBHETSA-N -1 0 318.337 -0.175 20 0 DBADRM Cc1nnccc1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600799590 1017732284 /nfs/dbraw/zinc/73/22/84/1017732284.db2.gz ALQDZFIHAJORKH-GHMZBOCLSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1nnccc1C(=O)NCC1(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600799592 1017732754 /nfs/dbraw/zinc/73/27/54/1017732754.db2.gz ALQDZFIHAJORKH-QWRGUYRKSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1nnc(CNS(=O)(=O)c2csnc2C(=O)[O-])n1C ZINC001600794939 1017732773 /nfs/dbraw/zinc/73/27/73/1017732773.db2.gz HQXSBXAKJDMVDW-UHFFFAOYSA-N -1 0 317.352 -0.243 20 0 DBADRM Cc1nnc(-c2nnc(N3CCO[C@@H](C(=O)[O-])C3)n2C)s1 ZINC001600792805 1017732875 /nfs/dbraw/zinc/73/28/75/1017732875.db2.gz BUXHAXAGKHXKOV-SSDOTTSWSA-N -1 0 310.339 -0.068 20 0 DBADRM Cc1n[nH]c(=O)c(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)c1C ZINC001600798582 1017733081 /nfs/dbraw/zinc/73/30/81/1017733081.db2.gz NHVCLABMHNPTGE-JTQLQIEISA-N -1 0 310.310 -0.206 20 0 DBADRM Cc1noc(CCCNC(=O)Cn2cccc(C(=O)[O-])c2=O)n1 ZINC001600812852 1017733684 /nfs/dbraw/zinc/73/36/84/1017733684.db2.gz MYMYMOGHNOKOLY-UHFFFAOYSA-N -1 0 320.305 -0.013 20 0 DBADRM Cc1nnsc1Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC001600803109 1017733756 /nfs/dbraw/zinc/73/37/56/1017733756.db2.gz VOXZWOAUAORCTN-UHFFFAOYSA-N -1 0 306.307 -0.114 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)n1 ZINC001600812775 1017733956 /nfs/dbraw/zinc/73/39/56/1017733956.db2.gz IMCBLWVCHUOUFQ-CBAPKCEASA-N -1 0 310.310 -0.642 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)CC2 ZINC001600801082 1017734132 /nfs/dbraw/zinc/73/41/32/1017734132.db2.gz JIFMQBUBTDNNRO-AAEUAGOBSA-N -1 0 322.365 -0.167 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)n1 ZINC001600812777 1017734274 /nfs/dbraw/zinc/73/42/74/1017734274.db2.gz IMCBLWVCHUOUFQ-VXNVDRBHSA-N -1 0 310.310 -0.642 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)CC2 ZINC001600801085 1017734371 /nfs/dbraw/zinc/73/43/71/1017734371.db2.gz JIFMQBUBTDNNRO-DGCLKSJQSA-N -1 0 322.365 -0.167 20 0 DBADRM Cc1nnsc1C(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001600802837 1017734556 /nfs/dbraw/zinc/73/45/56/1017734556.db2.gz RJXXAQURNIZGNO-LURJTMIESA-N -1 0 322.350 -0.013 20 0 DBADRM Cc1noc(CNS(=O)(=O)c2cc(C(=O)[O-])cn2C)n1 ZINC001600814404 1017734955 /nfs/dbraw/zinc/73/49/55/1017734955.db2.gz DYJHWDIOXFUWJJ-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600818000 1017735014 /nfs/dbraw/zinc/73/50/14/1017735014.db2.gz UHKSANCOFSKSGU-JXUBOQSCSA-N -1 0 322.321 -0.277 20 0 DBADRM Cc1nocc1C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600816719 1017735130 /nfs/dbraw/zinc/73/51/30/1017735130.db2.gz LVKRGCIRJLWROG-DTWKUNHWSA-N -1 0 323.305 -0.993 20 0 DBADRM Cc1nonc1CNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001600818612 1017735280 /nfs/dbraw/zinc/73/52/80/1017735280.db2.gz KGJUGBOQIQYDGB-GFCCVEGCSA-N -1 0 309.282 -0.107 20 0 DBADRM Cc1nonc1C(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600817361 1017735316 /nfs/dbraw/zinc/73/53/16/1017735316.db2.gz AZIWKSHDAVJNQS-ZJUUUORDSA-N -1 0 322.321 -0.227 20 0 DBADRM Cc1nocc1C(=O)NC[C@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001600817011 1017735399 /nfs/dbraw/zinc/73/53/99/1017735399.db2.gz UONWEMZRUKPPAM-VIFPVBQESA-N -1 0 321.293 -0.326 20 0 DBADRM Cc1nonc1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600817599 1017735629 /nfs/dbraw/zinc/73/56/29/1017735629.db2.gz JALAINBTIZWJJX-KYXWUPHJSA-N -1 0 322.321 -0.277 20 0 DBADRM Cc1oc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1S(C)(=O)=O ZINC001600821675 1017735639 /nfs/dbraw/zinc/73/56/39/1017735639.db2.gz GOILVBLQICZKDF-GFCCVEGCSA-N -1 0 317.319 -0.347 20 0 DBADRM Cc1nonc1CC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001600817917 1017735734 /nfs/dbraw/zinc/73/57/34/1017735734.db2.gz SBLKDVNDHUKUIW-MRVPVSSYSA-N -1 0 317.323 -0.979 20 0 DBADRM Cc1nonc1CC(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001600817893 1017736003 /nfs/dbraw/zinc/73/60/03/1017736003.db2.gz RDYYWRRDTUTZJE-SSDOTTSWSA-N -1 0 320.309 -0.553 20 0 DBADRM Cc1nonc1CC(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001600817653 1017736265 /nfs/dbraw/zinc/73/62/65/1017736265.db2.gz KXEBJMICYCUJEI-ZETCQYMHSA-N -1 0 320.309 -0.553 20 0 DBADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001600838669 1017736774 /nfs/dbraw/zinc/73/67/74/1017736774.db2.gz NSBHGNLZZZJQPV-HTQZYQBOSA-N -1 0 316.335 -0.006 20 0 DBADRM Cc1oc(C(=O)[O-])cc1COC(=O)Cn1ccc(=O)n(C)c1=O ZINC001600833440 1017737149 /nfs/dbraw/zinc/73/71/49/1017737149.db2.gz RVIGLTLNMSRUOA-UHFFFAOYSA-N -1 0 322.273 -0.110 20 0 DBADRM Cc1oc(CS(=O)(=O)Cc2nnn(C)n2)cc1C(=O)[O-] ZINC001600855795 1017737200 /nfs/dbraw/zinc/73/72/00/1017737200.db2.gz BJNFXHRCHIBOGD-UHFFFAOYSA-N -1 0 300.296 -0.075 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC1CC(CO)(CO)C1 ZINC001600836826 1017737212 /nfs/dbraw/zinc/73/72/12/1017737212.db2.gz TURPGKOHGBNJAV-UHFFFAOYSA-N -1 0 319.335 -0.302 20 0 DBADRM Cc1oc(CNC(=O)C(=O)NCCn2ccnc2)cc1C(=O)[O-] ZINC001600846517 1017737452 /nfs/dbraw/zinc/73/74/52/1017737452.db2.gz UGQJSVDFIPHIJH-UHFFFAOYSA-N -1 0 320.305 -0.085 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)NN1CCS(=O)(=O)CC1 ZINC001600826426 1017737715 /nfs/dbraw/zinc/73/77/15/1017737715.db2.gz RCJJHHPDGCMONF-UHFFFAOYSA-N -1 0 302.308 -0.339 20 0 DBADRM Cc1oc(CNS(=O)(=O)[C@@H]2COC[C@H]2O)cc1C(=O)[O-] ZINC001600854208 1017737756 /nfs/dbraw/zinc/73/77/56/1017737756.db2.gz CUPZDDKXMOEZDQ-NXEZZACHSA-N -1 0 305.308 -0.535 20 0 DBADRM Cc1oc(C(=O)N[C@H](CCF)C(=O)[O-])cc1S(N)(=O)=O ZINC001600823218 1017737775 /nfs/dbraw/zinc/73/77/75/1017737775.db2.gz IJRDAEVDFRGKND-ZCFIWIBFSA-N -1 0 308.287 -0.222 20 0 DBADRM Cc1occc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600860438 1017738397 /nfs/dbraw/zinc/73/83/97/1017738397.db2.gz IBPCTFSAUTULEK-MNOVXSKESA-N -1 0 322.317 -0.388 20 0 DBADRM Cc1occc1CNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001600861059 1017738527 /nfs/dbraw/zinc/73/85/27/1017738527.db2.gz BCRBMNRIIPCTBX-LLVKDONJSA-N -1 0 310.306 -0.094 20 0 DBADRM C[C@@H](CN(C)Cc1ncccn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001498330692 1017738551 /nfs/dbraw/zinc/73/85/51/1017738551.db2.gz OQLQWWVKWADYMC-QMMMGPOBSA-N -1 0 319.325 -0.677 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)cnc21 ZINC001600894086 1017738946 /nfs/dbraw/zinc/73/89/46/1017738946.db2.gz RIRSBAJCBJXBNC-FKQCQYRASA-N -1 0 318.289 -0.373 20 0 DBADRM Cc1sc(S(N)(=O)=O)cc1C(=O)NCCOCC(=O)[O-] ZINC001600889369 1017739169 /nfs/dbraw/zinc/73/91/69/1017739169.db2.gz HHFSOOXTMCIOJJ-UHFFFAOYSA-N -1 0 322.364 -0.465 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001600864011 1017739185 /nfs/dbraw/zinc/73/91/85/1017739185.db2.gz GFRNLHSLKPQVDX-RNFRBKRXSA-N -1 0 305.312 -0.979 20 0 DBADRM Cc1ocnc1CNC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001600862224 1017739190 /nfs/dbraw/zinc/73/91/90/1017739190.db2.gz ZKPKUOZJOPZLDC-XVKPBYJWSA-N -1 0 311.294 -0.700 20 0 DBADRM Cn1c(=O)n2c(c1C(=O)N[C@H]1CCO[C@H]1C(=O)[O-])CCCC2 ZINC001600899367 1017740582 /nfs/dbraw/zinc/74/05/82/1017740582.db2.gz OUQYEKLWNYJGAR-GZMMTYOYSA-N -1 0 309.322 -0.505 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)c1=O ZINC001600896030 1017740919 /nfs/dbraw/zinc/74/09/19/1017740919.db2.gz PHKIKGRTVWMSDO-JTQLQIEISA-N -1 0 319.273 -0.253 20 0 DBADRM Cn1c(=O)cccc1C(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600900154 1017741071 /nfs/dbraw/zinc/74/10/71/1017741071.db2.gz JDBHQMWIXCORKG-ZJUUUORDSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC001600902476 1017741628 /nfs/dbraw/zinc/74/16/28/1017741628.db2.gz JHFOSDGRLQXJEA-QMMMGPOBSA-N -1 0 315.351 -0.513 20 0 DBADRM Cn1c(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)c[nH]c1=O ZINC001600899140 1017741721 /nfs/dbraw/zinc/74/17/21/1017741721.db2.gz XFRPABBLFNKSBP-BDAKNGLRSA-N -1 0 322.321 -0.869 20 0 DBADRM Cn1c(C[C@@H]2CCNC(=O)C2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001600910823 1017742572 /nfs/dbraw/zinc/74/25/72/1017742572.db2.gz AKJHZWPGXPOUQP-VHSXEESVSA-N -1 0 307.354 -0.205 20 0 DBADRM CN1C(=O)N=NC1CNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001600918377 1017742713 /nfs/dbraw/zinc/74/27/13/1017742713.db2.gz PEIJDJPJASTFQX-UHFFFAOYSA-N -1 0 312.307 -0.303 20 0 DBADRM Cn1c([C@H]2CCNC(=O)C2)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001600912111 1017743170 /nfs/dbraw/zinc/74/31/70/1017743170.db2.gz VXDAVQFDVFUDRN-SDBXPKJASA-N -1 0 311.317 -0.188 20 0 DBADRM Cn1c([C@@H]2CCNC(=O)C2)nnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC001600909504 1017743250 /nfs/dbraw/zinc/74/32/50/1017743250.db2.gz BWLQOGSQQLBUEJ-ZJUUUORDSA-N -1 0 323.353 -0.511 20 0 DBADRM Cn1c([C@@H]2CCNC(=O)C2)nnc1N1CCO[C@H](CC(=O)[O-])C1 ZINC001600909499 1017743823 /nfs/dbraw/zinc/74/38/23/1017743823.db2.gz BWLQOGSQQLBUEJ-NXEZZACHSA-N -1 0 323.353 -0.511 20 0 DBADRM Cn1c(C[C@H]2CCNC(=O)C2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001600910807 1017743913 /nfs/dbraw/zinc/74/39/13/1017743913.db2.gz AKJHZWPGXPOUQP-NXEZZACHSA-N -1 0 307.354 -0.205 20 0 DBADRM Cn1c(CC(=O)N[C@H](CO)C(=O)[O-])nnc1-c1ccccc1 ZINC001600912300 1017744089 /nfs/dbraw/zinc/74/40/89/1017744089.db2.gz PZRZSWZLARGTJE-SNVBAGLBSA-N -1 0 304.306 -0.414 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)NCc1ncc(C(=O)[O-])s1 ZINC001600914236 1017744099 /nfs/dbraw/zinc/74/40/99/1017744099.db2.gz DEXCDBPTYBVFOZ-UHFFFAOYSA-N -1 0 312.311 -0.325 20 0 DBADRM Cn1c(=O)cc(COC(=O)c2occc2C(=O)[O-])n(C)c1=O ZINC001600919101 1017744139 /nfs/dbraw/zinc/74/41/39/1017744139.db2.gz MGWODSYRJMXHGN-UHFFFAOYSA-N -1 0 308.246 -0.268 20 0 DBADRM Cn1c(CC(=O)N[C@](C)(CO)C(=O)[O-])nnc1-c1ccccc1 ZINC001600912160 1017744296 /nfs/dbraw/zinc/74/42/96/1017744296.db2.gz NGWZAGKLRNSJBF-OAHLLOKOSA-N -1 0 318.333 -0.024 20 0 DBADRM Cn1c([C@H]2CCNC(=O)C2)nnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC001600909500 1017744303 /nfs/dbraw/zinc/74/43/03/1017744303.db2.gz BWLQOGSQQLBUEJ-UWVGGRQHSA-N -1 0 323.353 -0.511 20 0 DBADRM Cn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1C1(CO)CCOCC1 ZINC001600920496 1017745120 /nfs/dbraw/zinc/74/51/20/1017745120.db2.gz KLRZBFWFSGTODM-SNVBAGLBSA-N -1 0 310.354 -0.234 20 0 DBADRM Cn1cc(C(=O)CCC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cn1 ZINC001600927917 1017745369 /nfs/dbraw/zinc/74/53/69/1017745369.db2.gz LBLGAVVCGVVCJZ-YPMHNXCESA-N -1 0 309.322 -0.181 20 0 DBADRM Cn1cc(-c2cn([C@@H]3CCN(CCC(=O)[O-])C3=O)nn2)cn1 ZINC001600924731 1017745577 /nfs/dbraw/zinc/74/55/77/1017745577.db2.gz MEHXKAAEFKBCJM-LLVKDONJSA-N -1 0 304.310 -0.073 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001600922049 1017745857 /nfs/dbraw/zinc/74/58/57/1017745857.db2.gz TYYNJLIICWWEHE-RNFRBKRXSA-N -1 0 323.758 -0.470 20 0 DBADRM Cn1cc(-c2n[nH]cc2C(=O)N2CCC(O)(C(=O)[O-])CC2)cn1 ZINC001600925479 1017746103 /nfs/dbraw/zinc/74/61/03/1017746103.db2.gz KBRAATZHVBDTCR-UHFFFAOYSA-N -1 0 319.321 -0.138 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]c1=O ZINC001600930578 1017746495 /nfs/dbraw/zinc/74/64/95/1017746495.db2.gz XMSUFQYLIUADMI-JBDRJPRFSA-N -1 0 322.321 -0.777 20 0 DBADRM Cn1cc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c(=O)n(C)c1=O ZINC001600931051 1017746945 /nfs/dbraw/zinc/74/69/45/1017746945.db2.gz GDTRGKIPOZIRCY-VIFPVBQESA-N -1 0 311.338 -0.297 20 0 DBADRM Cn1cc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)[nH]c1=O ZINC001600928866 1017746962 /nfs/dbraw/zinc/74/69/62/1017746962.db2.gz PPCOGIWCMIMIFY-SSDOTTSWSA-N -1 0 306.282 -0.497 20 0 DBADRM Cn1cc(C(=O)N[C@H](C(=O)[O-])c2cccnc2)c(=O)[nH]c1=O ZINC001600928641 1017747146 /nfs/dbraw/zinc/74/71/46/1017747146.db2.gz IRCRQLFJDPKZPE-VIFPVBQESA-N -1 0 304.262 -0.563 20 0 DBADRM Cn1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]c1=O ZINC001600929725 1017747494 /nfs/dbraw/zinc/74/74/94/1017747494.db2.gz CQBIZVPJGBXIQI-RKDXNWHRSA-N -1 0 322.321 -0.965 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]c1=O ZINC001600930577 1017748064 /nfs/dbraw/zinc/74/80/64/1017748064.db2.gz XMSUFQYLIUADMI-FNCVBFRFSA-N -1 0 322.321 -0.777 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001600930315 1017748160 /nfs/dbraw/zinc/74/81/60/1017748160.db2.gz SRQBGKMGBLTILH-XWLWVQCSSA-N -1 0 306.322 -0.482 20 0 DBADRM Cn1cc(C(=O)NCC2(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CCC2)cn1 ZINC001600929987 1017748239 /nfs/dbraw/zinc/74/82/39/1017748239.db2.gz LNJVICUJMHBIDJ-QWRGUYRKSA-N -1 0 320.349 -0.091 20 0 DBADRM Cn1cc(C(=O)CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)cn1 ZINC001600928418 1017748289 /nfs/dbraw/zinc/74/82/89/1017748289.db2.gz URBMRXGGFGXIIT-SNVBAGLBSA-N -1 0 322.321 -0.958 20 0 DBADRM Cn1cc(C(=O)Nc2nc3n(c2C(=O)[O-])CCC3)c(=O)[nH]c1=O ZINC001600932749 1017748903 /nfs/dbraw/zinc/74/89/03/1017748903.db2.gz OXVVYPBNLYMQBI-UHFFFAOYSA-N -1 0 319.277 -0.421 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)CNC(=O)c2ccncc2)n1 ZINC001600933863 1017749148 /nfs/dbraw/zinc/74/91/48/1017749148.db2.gz RNOPBOIBUGUVEB-UHFFFAOYSA-N -1 0 303.278 -0.118 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)cn1 ZINC001600942631 1017749663 /nfs/dbraw/zinc/74/96/63/1017749663.db2.gz LAHDXJWLGYMDNB-BXKDBHETSA-N -1 0 319.321 -0.001 20 0 DBADRM Cn1cc([C@H]2CN(C(=O)c3cnc(C(=O)[O-])cn3)CCN2)cn1 ZINC001600944923 1017749709 /nfs/dbraw/zinc/74/97/09/1017749709.db2.gz VOTLSEUGMKEWGA-GFCCVEGCSA-N -1 0 316.321 -0.305 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)NC1CC(CC(N)=O)C1 ZINC001600940334 1017749750 /nfs/dbraw/zinc/74/97/50/1017749750.db2.gz QWTHKTQFEYDGPH-UHFFFAOYSA-N -1 0 315.351 -0.344 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)N3CCN(CC(=O)[O-])CC3)C2)cn1 ZINC001600946810 1017750615 /nfs/dbraw/zinc/75/06/15/1017750615.db2.gz USZQTNXEKNHDDJ-LBPRGKRZSA-N -1 0 321.337 -0.858 20 0 DBADRM Cn1cc([C@H](NCC(=O)NCCC(=O)[O-])C2(CO)CCC2)cn1 ZINC001600941782 1017750709 /nfs/dbraw/zinc/75/07/09/1017750709.db2.gz YKBLDGFBJOBEPS-AWEZNQCLSA-N -1 0 324.381 -0.196 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)N[C@@]3(C(=O)[O-])CCOC3)C2)cn1 ZINC001600944727 1017750758 /nfs/dbraw/zinc/75/07/58/1017750758.db2.gz KALMBNXIWOXKLI-GWCFXTLKSA-N -1 0 308.294 -0.727 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001600941505 1017751250 /nfs/dbraw/zinc/75/12/50/1017751250.db2.gz UHCXMRTWYSJSPO-ZJUUUORDSA-N -1 0 318.351 -0.913 20 0 DBADRM Cn1cc(C[C@H](CO)CNC(=O)c2cc(C(=O)[O-])on2)cn1 ZINC001600947377 1017751530 /nfs/dbraw/zinc/75/15/30/1017751530.db2.gz LOZIYRFCJCLTEQ-VIFPVBQESA-N -1 0 308.294 -0.313 20 0 DBADRM Cn1cc(CCCNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC001600949915 1017751983 /nfs/dbraw/zinc/75/19/83/1017751983.db2.gz IHAWNWKCHGKTCO-LBPRGKRZSA-N -1 0 322.365 -0.208 20 0 DBADRM Cn1cc(CCCN2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)cn1 ZINC001600950524 1017752327 /nfs/dbraw/zinc/75/23/27/1017752327.db2.gz XYSXXRULLBNXCQ-MXWKQRLJSA-N -1 0 306.322 -0.006 20 0 DBADRM Cn1cc(CCCNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)cn1 ZINC001600949955 1017753341 /nfs/dbraw/zinc/75/33/41/1017753341.db2.gz JXZVYXKDVVGNAJ-UHFFFAOYSA-N -1 0 313.339 -0.248 20 0 DBADRM Cn1cc(CC(=O)OCC(=O)NCCC(=O)[O-])c(Cl)n1 ZINC001600948873 1017753407 /nfs/dbraw/zinc/75/34/07/1017753407.db2.gz UWPPALHRISHGCW-UHFFFAOYSA-N -1 0 303.702 -0.250 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCn3nncc3C2)cc1C(=O)[O-] ZINC001600958127 1017753948 /nfs/dbraw/zinc/75/39/48/1017753948.db2.gz ATPFBGABXCYJIX-UHFFFAOYSA-N -1 0 318.293 -0.704 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cn1 ZINC001600959590 1017754272 /nfs/dbraw/zinc/75/42/72/1017754272.db2.gz SWBGBEHHWYPYMO-LKFCYVNXSA-N -1 0 322.321 -0.692 20 0 DBADRM Cn1cc(N2CCN(C(=O)c3ccc(C(=O)[O-])[nH]3)CC2=O)cn1 ZINC001600959378 1017754420 /nfs/dbraw/zinc/75/44/20/1017754420.db2.gz SHGRFZMRCFLFSW-UHFFFAOYSA-N -1 0 317.305 -0.065 20 0 DBADRM Cn1cc(CNC(=O)C(=O)Nc2sccc2C(=O)[O-])nn1 ZINC001600953429 1017754821 /nfs/dbraw/zinc/75/48/21/1017754821.db2.gz FMGYZKQNMQHDLW-UHFFFAOYSA-N -1 0 309.307 -0.170 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@H](CO)C2CCC2)cc1C(=O)[O-] ZINC001600958360 1017755219 /nfs/dbraw/zinc/75/52/19/1017755219.db2.gz FGEKLPNCJPYRFG-SNVBAGLBSA-N -1 0 309.322 -0.061 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)nn1 ZINC001600958979 1017755250 /nfs/dbraw/zinc/75/52/50/1017755250.db2.gz MSYAFTNRMNIQHF-VIFPVBQESA-N -1 0 315.289 -0.031 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCNC(=O)CC2)cc1C(=O)[O-] ZINC001600958114 1017755352 /nfs/dbraw/zinc/75/53/52/1017755352.db2.gz ACBLJVFQOYGILO-UHFFFAOYSA-N -1 0 308.294 -0.990 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@H](CC2CC2)C(=O)[O-])ccc1=O ZINC001600958537 1017755421 /nfs/dbraw/zinc/75/54/21/1017755421.db2.gz HAKFNJWGGHVPCH-JTQLQIEISA-N -1 0 321.333 -0.059 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCCOCCF)cc1C(=O)[O-] ZINC001600960904 1017756167 /nfs/dbraw/zinc/75/61/67/1017756167.db2.gz PJLJMRPPJAJTEE-UHFFFAOYSA-N -1 0 301.274 -0.236 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)Nc3[nH]cnc3C(=O)[O-])CC2=O)cn1 ZINC001600962356 1017756727 /nfs/dbraw/zinc/75/67/27/1017756727.db2.gz VZWPFDICBMWYCN-SSDOTTSWSA-N -1 0 318.293 -0.167 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCc2ccc(CC(=O)[O-])cc2)nn1 ZINC001600961539 1017756850 /nfs/dbraw/zinc/75/68/50/1017756850.db2.gz XAUCEIOMVUSGAH-UHFFFAOYSA-N -1 0 317.305 -0.303 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N(CC(=O)[O-])C3CC3)CC2=O)cn1 ZINC001600960993 1017757130 /nfs/dbraw/zinc/75/71/30/1017757130.db2.gz HGEAURPDJHUSBE-SECBINFHSA-N -1 0 306.322 -0.151 20 0 DBADRM Cn1cc(NC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001600963165 1017757426 /nfs/dbraw/zinc/75/74/26/1017757426.db2.gz USTRTAFYUFLMPG-CQSZACIVSA-N -1 0 323.353 -0.187 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCCC(=O)[O-])c(C(F)(F)F)n1 ZINC001600960514 1017758309 /nfs/dbraw/zinc/75/83/09/1017758309.db2.gz MJDPMGARVFUHOG-UHFFFAOYSA-N -1 0 308.216 -0.032 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001498376779 1017758834 /nfs/dbraw/zinc/75/88/34/1017758834.db2.gz SJDWBIMBWXDFEE-SSDOTTSWSA-N -1 0 309.330 -0.800 20 0 DBADRM Cn1cc2cnn(CN3CCOC[C@@H]3CC(=O)[O-])c(=O)c2n1 ZINC001600971128 1017759120 /nfs/dbraw/zinc/75/91/20/1017759120.db2.gz OZQAONZYATWGPK-JTQLQIEISA-N -1 0 307.310 -0.737 20 0 DBADRM Cn1ccc(=O)c(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])c1 ZINC001600972128 1017759546 /nfs/dbraw/zinc/75/95/46/1017759546.db2.gz NDHFGEWYUIGFAY-JTQLQIEISA-N -1 0 310.306 -0.279 20 0 DBADRM Cn1ccc(=O)n(CCCNC(=O)c2cc(C(=O)[O-])no2)c1=O ZINC001600970984 1017759895 /nfs/dbraw/zinc/75/98/95/1017759895.db2.gz JPMNRNOCDNDPCR-UHFFFAOYSA-N -1 0 322.277 -0.947 20 0 DBADRM Cn1ccc(-n2cc(CN[C@]3(CC(=O)[O-])CCOC3)nn2)n1 ZINC001600972156 1017760560 /nfs/dbraw/zinc/76/05/60/1017760560.db2.gz ODDGWOADPQAWJS-ZDUSSCGKSA-N -1 0 306.326 -0.276 20 0 DBADRM Cn1ccc(=O)c(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1 ZINC001600972384 1017760684 /nfs/dbraw/zinc/76/06/84/1017760684.db2.gz ZETCSHCUCTVOIL-UHFFFAOYSA-N -1 0 303.278 -0.628 20 0 DBADRM CN(C(=O)C(=O)NCCc1ccn(C)n1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001600976134 1017762639 /nfs/dbraw/zinc/76/26/39/1017762639.db2.gz PVCYVDRXQATGEP-JGZJWPJOSA-N -1 0 308.338 -0.600 20 0 DBADRM Cn1ccc(NC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)n1 ZINC001600975600 1017762669 /nfs/dbraw/zinc/76/26/69/1017762669.db2.gz PCQDRFARCLQXGT-WRWORJQWSA-N -1 0 316.339 -0.571 20 0 DBADRM Cn1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[C@@H]4C(=O)[O-])C[C@H]32)c1 ZINC001600972760 1017762718 /nfs/dbraw/zinc/76/27/18/1017762718.db2.gz WAVKVIMNJNNNOA-JZRPKSSGSA-N -1 0 317.345 -0.068 20 0 DBADRM Cn1ccc([C@@H](NC(=O)c2cccc(C(N)=O)n2)C(=O)[O-])n1 ZINC001600973567 1017763392 /nfs/dbraw/zinc/76/33/92/1017763392.db2.gz SLQFUVPAUQBXMN-SNVBAGLBSA-N -1 0 303.278 -0.530 20 0 DBADRM Cn1ccc(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])n1 ZINC001600974124 1017763812 /nfs/dbraw/zinc/76/38/12/1017763812.db2.gz REJMABMYJUODAF-UHFFFAOYSA-N -1 0 310.354 -0.792 20 0 DBADRM Cn1cccc1C(=O)N1CCN(C(=O)COCC(=O)[O-])CC1 ZINC001600978856 1017763906 /nfs/dbraw/zinc/76/39/06/1017763906.db2.gz SKMQXELXSPZVHS-UHFFFAOYSA-N -1 0 309.322 -0.589 20 0 DBADRM Cn1ccc(S(=O)(=O)NCC2(CC(=O)[O-])CCOCC2)n1 ZINC001600977704 1017763995 /nfs/dbraw/zinc/76/39/95/1017763995.db2.gz IJCDFJLRCVXBKQ-UHFFFAOYSA-N -1 0 317.367 -0.030 20 0 DBADRM Cn1ccc([C@@H](NC(=O)c2cnn3c2OCCC3)C(=O)[O-])n1 ZINC001600973595 1017764738 /nfs/dbraw/zinc/76/47/38/1017764738.db2.gz TXHAFCMLBLKPGV-SNVBAGLBSA-N -1 0 305.294 -0.045 20 0 DBADRM Cn1ccnc1CCC(=O)NCCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600985442 1017766332 /nfs/dbraw/zinc/76/63/32/1017766332.db2.gz JWUZPQZKWLGHET-WDEREUQCSA-N -1 0 322.365 -0.304 20 0 DBADRM Cn1cccc1C(=O)C(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001600979543 1017766839 /nfs/dbraw/zinc/76/68/39/1017766839.db2.gz NOZANJRNWLXLGF-SECBINFHSA-N -1 0 310.306 -0.070 20 0 DBADRM Cn1ccnc1[C@H]1C[C@H](NC(=O)N2CC(O)(C(=O)[O-])C2)CCO1 ZINC001600984483 1017767972 /nfs/dbraw/zinc/76/79/72/1017767972.db2.gz MBVAHLWLCGHJIX-NXEZZACHSA-N -1 0 324.337 -0.519 20 0 DBADRM Cn1ccnc1C1(O)CN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001600983922 1017768425 /nfs/dbraw/zinc/76/84/25/1017768425.db2.gz DMFJTPULERASKS-UHFFFAOYSA-N -1 0 302.290 -0.143 20 0 DBADRM Cn1cccc1C(=O)C(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-] ZINC001600979752 1017769454 /nfs/dbraw/zinc/76/94/54/1017769454.db2.gz WEFQXZLQWACHFN-UHFFFAOYSA-N -1 0 322.277 -0.361 20 0 DBADRM Cn1cccc1CNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001600981702 1017769524 /nfs/dbraw/zinc/76/95/24/1017769524.db2.gz WZQGYXLJCKUZPU-LLVKDONJSA-N -1 0 309.322 -0.657 20 0 DBADRM Cn1ccnc1[C@H]1C[C@@H](NC(=O)N2CC(O)(C(=O)[O-])C2)CCO1 ZINC001600984485 1017769551 /nfs/dbraw/zinc/76/95/51/1017769551.db2.gz MBVAHLWLCGHJIX-VHSXEESVSA-N -1 0 324.337 -0.519 20 0 DBADRM Cn1cnc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001600987740 1017770376 /nfs/dbraw/zinc/77/03/76/1017770376.db2.gz TYWZXKJWNZPQKH-DBIOUOCHSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1cnc(C(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CCC2)c1 ZINC001600987393 1017770458 /nfs/dbraw/zinc/77/04/58/1017770458.db2.gz ODXMFAHMEUEGHZ-ZJUUUORDSA-N -1 0 320.349 -0.091 20 0 DBADRM Cn1cnc(CCCNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])n1 ZINC001600990099 1017771126 /nfs/dbraw/zinc/77/11/26/1017771126.db2.gz KHOXTWVSTKZVGG-MWLCHTKSSA-N -1 0 311.342 -0.463 20 0 DBADRM Cn1cnc(NC(=O)C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)n1 ZINC001600989534 1017771721 /nfs/dbraw/zinc/77/17/21/1017771721.db2.gz LLOIEGVCPPAYBS-YMTOWFKASA-N -1 0 321.337 -0.143 20 0 DBADRM Cn1cnc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cc1=O ZINC001600987971 1017772162 /nfs/dbraw/zinc/77/21/62/1017772162.db2.gz VEZZWPGHWQUVRL-LKFCYVNXSA-N -1 0 307.306 -0.656 20 0 DBADRM Cn1ccc([C@H](NC(=O)CCn2ccccc2=O)C(=O)[O-])n1 ZINC001600989443 1017772216 /nfs/dbraw/zinc/77/22/16/1017772216.db2.gz MOJSQOVNXIYZPL-ZDUSSCGKSA-N -1 0 304.306 -0.086 20 0 DBADRM Cn1cnn(CCC(=O)N[C@H](C(=O)[O-])c2ccccc2)c1=O ZINC001600994789 1017773912 /nfs/dbraw/zinc/77/39/12/1017773912.db2.gz VZYUQBSWBHBOFI-LBPRGKRZSA-N -1 0 304.306 -0.086 20 0 DBADRM Cn1cnn(CCC(=O)NCCSCCC(=O)[O-])c1=O ZINC001600994689 1017774402 /nfs/dbraw/zinc/77/44/02/1017774402.db2.gz QTHWGSZIWNADEN-UHFFFAOYSA-N -1 0 302.356 -0.704 20 0 DBADRM Cn1cncc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600992783 1017775053 /nfs/dbraw/zinc/77/50/53/1017775053.db2.gz UTRWIVIUROCGBA-VLEAKVRGSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1cncc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600992781 1017776132 /nfs/dbraw/zinc/77/61/32/1017776132.db2.gz UTRWIVIUROCGBA-LMLFDSFASA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1cnn(CCC(=O)Nc2cccc(C(=O)[O-])c2N)c1=O ZINC001600994420 1017776149 /nfs/dbraw/zinc/77/61/49/1017776149.db2.gz IUOJJJXZZITGCY-UHFFFAOYSA-N -1 0 305.294 -0.109 20 0 DBADRM Cn1cnnc1[C@@H](CO)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001600994855 1017776650 /nfs/dbraw/zinc/77/66/50/1017776650.db2.gz ZHOZCUBMHYKURK-HYYFJVDXSA-N -1 0 306.278 -0.031 20 0 DBADRM Cn1cncc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600992788 1017777169 /nfs/dbraw/zinc/77/71/69/1017777169.db2.gz UTRWIVIUROCGBA-ZRUFSTJUSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001600994634 1017777537 /nfs/dbraw/zinc/77/75/37/1017777537.db2.gz OLJYGQDBMLUUAD-SECBINFHSA-N -1 0 319.325 -0.489 20 0 DBADRM Cn1cnn(CCC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1=O ZINC001600996728 1017778000 /nfs/dbraw/zinc/77/80/00/1017778000.db2.gz ZAAQXVWVMVVXEC-UMNHJUIQSA-N -1 0 308.338 -0.316 20 0 DBADRM Cn1cnnc1COCC(=O)Nc1cc(C(=O)[O-])c[nH]c1=O ZINC001600996272 1017778610 /nfs/dbraw/zinc/77/86/10/1017778610.db2.gz VIBPOFFJROFHJM-UHFFFAOYSA-N -1 0 307.266 -0.231 20 0 DBADRM Cn1nc(C(=O)NCCc2ncc(C(=O)[O-])s2)ccc1=O ZINC001600998472 1017779044 /nfs/dbraw/zinc/77/90/44/1017779044.db2.gz AYJVFIUSXZTHFD-UHFFFAOYSA-N -1 0 308.319 -0.093 20 0 DBADRM Cn1cnn(CCC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1=O ZINC001600996027 1017779069 /nfs/dbraw/zinc/77/90/69/1017779069.db2.gz PHNDCIDFVIPPTK-SNVBAGLBSA-N -1 0 308.338 -0.315 20 0 DBADRM Cn1nc(Br)nc1CN1CC[C@](O)(C(=O)[O-])C1 ZINC001600998657 1017779139 /nfs/dbraw/zinc/77/91/39/1017779139.db2.gz FRQMJDFYJCCHSQ-SECBINFHSA-N -1 0 305.132 -0.401 20 0 DBADRM Cn1cnn(CC(=O)N[C@@H](Cc2ccccc2O)C(=O)[O-])c1=O ZINC001600996101 1017779218 /nfs/dbraw/zinc/77/92/18/1017779218.db2.gz QUIMEZAKPCNQGD-JTQLQIEISA-N -1 0 320.305 -0.901 20 0 DBADRM Cn1cnnc1CNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001600995571 1017779341 /nfs/dbraw/zinc/77/93/41/1017779341.db2.gz GNZZJYKBEMSWES-UHFFFAOYSA-N -1 0 309.307 -0.170 20 0 DBADRM Cn1cnnc1CCCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001600995948 1017779946 /nfs/dbraw/zinc/77/99/46/1017779946.db2.gz GIJUVZACUTUCPT-SNVBAGLBSA-N -1 0 323.353 -0.813 20 0 DBADRM Cn1cnn(CCC(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])c1=O ZINC001600995983 1017780372 /nfs/dbraw/zinc/78/03/72/1017780372.db2.gz OYUNUBGIHDQYDH-UWVGGRQHSA-N -1 0 312.326 -0.890 20 0 DBADRM Cn1cnnc1[C@@H]1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001600995855 1017780553 /nfs/dbraw/zinc/78/05/53/1017780553.db2.gz DSGZRISXGAHKDC-SECBINFHSA-N -1 0 314.367 -0.059 20 0 DBADRM Cn1nc(Br)cc1C(=O)NCC(=O)NCC(=O)[O-] ZINC001600997931 1017780742 /nfs/dbraw/zinc/78/07/42/1017780742.db2.gz IFISHTYZJNUYNK-UHFFFAOYSA-N -1 0 319.115 -0.887 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001601002830 1017781361 /nfs/dbraw/zinc/78/13/61/1017781361.db2.gz IVPCPDPUHBDARQ-UHFFFAOYSA-N -1 0 313.335 -0.118 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)N1CCN2CCOC[C@H]2C1 ZINC001601004308 1017781685 /nfs/dbraw/zinc/78/16/85/1017781685.db2.gz POGBVXDAFMAGLB-SECBINFHSA-N -1 0 309.326 -0.333 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCCS(=O)(=O)CC1 ZINC001601000881 1017781772 /nfs/dbraw/zinc/78/17/72/1017781772.db2.gz PYGULVNBALQKBD-UHFFFAOYSA-N -1 0 301.324 -0.621 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC001601000812 1017781801 /nfs/dbraw/zinc/78/18/01/1017781801.db2.gz LBWFVDOVVKTTCH-JTQLQIEISA-N -1 0 308.338 -0.335 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)COc1cccnc1 ZINC001498408076 1017784074 /nfs/dbraw/zinc/78/40/74/1017784074.db2.gz GQBFSGNDCLZPJF-SNVBAGLBSA-N -1 0 320.353 -0.079 20 0 DBADRM Cn1nc(C2CC2)cc1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001601012549 1017783828 /nfs/dbraw/zinc/78/38/28/1017783828.db2.gz CBYPWYFOMLWACP-JTQLQIEISA-N -1 0 320.349 -0.153 20 0 DBADRM Cn1nc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1C(=O)[O-] ZINC001601012814 1017783855 /nfs/dbraw/zinc/78/38/55/1017783855.db2.gz FIDXLQDRGGXIMT-UHFFFAOYSA-N -1 0 309.282 -0.613 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCC1CCOCC1 ZINC001601023094 1017784960 /nfs/dbraw/zinc/78/49/60/1017784960.db2.gz LVXIIDHELMUVEZ-UHFFFAOYSA-N -1 0 310.310 -0.400 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCC1(O)CCCC1 ZINC001601023657 1017785163 /nfs/dbraw/zinc/78/51/63/1017785163.db2.gz STHDJNSZSSVJNR-UHFFFAOYSA-N -1 0 310.310 -0.522 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCC1(CO)CCC1 ZINC001601022791 1017786039 /nfs/dbraw/zinc/78/60/39/1017786039.db2.gz HCWQUKZUFCABEE-UHFFFAOYSA-N -1 0 324.337 -0.274 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC001601023788 1017786092 /nfs/dbraw/zinc/78/60/92/1017786092.db2.gz WIQXGKXLLAMWLX-ZETCQYMHSA-N -1 0 308.298 -0.640 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC1CCC(C)(O)CC1 ZINC001601021717 1017787176 /nfs/dbraw/zinc/78/71/76/1017787176.db2.gz KLPSZIYMVUVRFF-UHFFFAOYSA-N -1 0 324.337 -0.133 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001601023233 1017787541 /nfs/dbraw/zinc/78/75/41/1017787541.db2.gz OTGCSDLFOUYINB-ZDUSSCGKSA-N -1 0 307.310 -0.138 20 0 DBADRM Cn1ncc(CCCNS(=O)(=O)c2n[nH]cc2C(=O)[O-])n1 ZINC001601026381 1017788171 /nfs/dbraw/zinc/78/81/71/1017788171.db2.gz UBLNORVYLGPDRL-UHFFFAOYSA-N -1 0 314.327 -0.853 20 0 DBADRM Cn1nccc1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001601031840 1017789290 /nfs/dbraw/zinc/78/92/90/1017789290.db2.gz NKXBAGUIYROQBX-LTFJCZIQSA-N -1 0 306.322 -0.457 20 0 DBADRM Cn1nccc1C(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601031437 1017790514 /nfs/dbraw/zinc/79/05/14/1017790514.db2.gz CQZFSEQBTIEREZ-MNOVXSKESA-N -1 0 320.349 -0.185 20 0 DBADRM Cn1ncc2c1nc(CN1CCC(O)(C(=O)[O-])CC1)[nH]c2=O ZINC001601030064 1017791165 /nfs/dbraw/zinc/79/11/65/1017791165.db2.gz XYFQCDMRPOJMFL-UHFFFAOYSA-N -1 0 307.310 -0.520 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)NCCn1cc(C(=O)[O-])nn1)CC2 ZINC001601030990 1017791249 /nfs/dbraw/zinc/79/12/49/1017791249.db2.gz OBYXKHYGHGQALN-SECBINFHSA-N -1 0 318.337 -0.369 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)NOCCCC(=O)[O-])[nH]c2=O ZINC001601029597 1017791269 /nfs/dbraw/zinc/79/12/69/1017791269.db2.gz JMWDAOBBDQQEBT-UHFFFAOYSA-N -1 0 323.309 -0.086 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)/C=C/CN1CCOCC1)C(=O)[O-] ZINC001601033188 1017793186 /nfs/dbraw/zinc/79/31/86/1017793186.db2.gz VNCZPXQHYBUIFL-YWVDXFKGSA-N -1 0 308.338 -0.450 20 0 DBADRM Cn1nccc1[C@@H]1COCCN1CN1C[C@@H](C(=O)[O-])CC1=O ZINC001601037915 1017794296 /nfs/dbraw/zinc/79/42/96/1017794296.db2.gz NELKAZXEOAZSLH-JQWIXIFHSA-N -1 0 308.338 -0.316 20 0 DBADRM Cn1ncnc1CCCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001601038606 1017794603 /nfs/dbraw/zinc/79/46/03/1017794603.db2.gz CKSATEKCDLXXFS-SNVBAGLBSA-N -1 0 323.353 -0.813 20 0 DBADRM Cn1nccc1[C@@H]1COCCN1Cc1cn(CC(=O)[O-])nn1 ZINC001601038328 1017794715 /nfs/dbraw/zinc/79/47/15/1017794715.db2.gz RURBRRMLNRZMHF-LBPRGKRZSA-N -1 0 306.326 -0.330 20 0 DBADRM Cn1ncnc1C1(O)CCN(C(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001601038794 1017795970 /nfs/dbraw/zinc/79/59/70/1017795970.db2.gz MDXLYTXERCFEKZ-UHFFFAOYSA-N -1 0 319.321 -0.035 20 0 DBADRM CCCn1cc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001498418049 1017797010 /nfs/dbraw/zinc/79/70/10/1017797010.db2.gz KELLVZFCCNEMFW-VIFPVBQESA-N -1 0 322.373 -0.238 20 0 DBADRM Cn1nnc(CNS(=O)(=O)CC2(C(=O)[O-])CCCC2)n1 ZINC001601040634 1017798894 /nfs/dbraw/zinc/79/88/94/1017798894.db2.gz MPLNCTYDTLGBSQ-UHFFFAOYSA-N -1 0 303.344 -0.726 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)CC2 ZINC001601042154 1017799286 /nfs/dbraw/zinc/79/92/86/1017799286.db2.gz ILQMDVIDIDPCCG-VHSXEESVSA-N -1 0 308.338 -0.378 20 0 DBADRM Cn1nnc2cc(NC(=O)C(=O)NC(C)(C)C(=O)[O-])ccc21 ZINC001601041403 1017800020 /nfs/dbraw/zinc/80/00/20/1017800020.db2.gz GZBIWBPYNDSCTK-UHFFFAOYSA-N -1 0 305.294 -0.114 20 0 DBADRM Cn1nnnc1C1CCN(CN2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001601044152 1017800332 /nfs/dbraw/zinc/80/03/32/1017800332.db2.gz GFVLTLLDGGOIEN-SNVBAGLBSA-N -1 0 308.342 -0.720 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)CC2 ZINC001601043502 1017800402 /nfs/dbraw/zinc/80/04/02/1017800402.db2.gz UKVZTGUFHPIOJN-KXUCPTDWSA-N -1 0 308.338 -0.786 20 0 DBADRM Cn1nnnc1CNC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCC1 ZINC001601045544 1017800422 /nfs/dbraw/zinc/80/04/22/1017800422.db2.gz CAKJBDHARHDEBO-IUCAKERBSA-N -1 0 308.342 -0.941 20 0 DBADRM Cn1nnc2cc(C(=O)N3CCC[C@H](O)[C@@H]3C(=O)[O-])cnc21 ZINC001601044006 1017801027 /nfs/dbraw/zinc/80/10/27/1017801027.db2.gz WEROGLNQQPKZLB-VHSXEESVSA-N -1 0 305.294 -0.587 20 0 DBADRM Cn1nnnc1CCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001601044359 1017801089 /nfs/dbraw/zinc/80/10/89/1017801089.db2.gz SDENWCSXDXYALV-VHSXEESVSA-N -1 0 308.342 -0.495 20 0 DBADRM Cn1nnnc1-c1ccc(NC(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001601044972 1017801135 /nfs/dbraw/zinc/80/11/35/1017801135.db2.gz PLDMZXXKTSKOOI-UHFFFAOYSA-N -1 0 318.293 -0.460 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N[C@@]1(CC(=O)[O-])CCOC1)CC2 ZINC001601043201 1017801155 /nfs/dbraw/zinc/80/11/55/1017801155.db2.gz QZVNUBIUPDWUCZ-LKFCYVNXSA-N -1 0 308.338 -0.330 20 0 DBADRM Cn1nnnc1CCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001601044504 1017801363 /nfs/dbraw/zinc/80/13/63/1017801363.db2.gz ZQNNBRVILBTWAI-UHFFFAOYSA-N -1 0 314.327 -0.853 20 0 DBADRM Cn1nnnc1CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC001601046586 1017801570 /nfs/dbraw/zinc/80/15/70/1017801570.db2.gz ODWILZULCVVCRA-MNOVXSKESA-N -1 0 322.369 -0.599 20 0 DBADRM Cn1nnnc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001601046595 1017801649 /nfs/dbraw/zinc/80/16/49/1017801649.db2.gz OFBHHNGZUZIBEH-LMLFDSFASA-N -1 0 320.353 -0.894 20 0 DBADRM Cn1oc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cc1=O ZINC001601045925 1017801765 /nfs/dbraw/zinc/80/17/65/1017801765.db2.gz RURCTQJBSOJNEJ-KZVJFYERSA-N -1 0 323.305 -0.924 20 0 DBADRM Cn1nnnc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001601046599 1017801988 /nfs/dbraw/zinc/80/19/88/1017801988.db2.gz OFBHHNGZUZIBEH-YTWAJWBKSA-N -1 0 320.353 -0.894 20 0 DBADRM NC(=O)C(=O)N1CCCC[C@H]1CCNc1ccnc(C(=O)[O-])n1 ZINC001601137343 1017808507 /nfs/dbraw/zinc/80/85/07/1017808507.db2.gz NWISNVISTISZAE-VIFPVBQESA-N -1 0 321.337 -0.735 20 0 DBADRM NC(=O)[C@@]1(NCc2nc3cc(C(=O)[O-])ccc3[nH]2)CCOC1 ZINC001601139279 1017808832 /nfs/dbraw/zinc/80/88/32/1017808832.db2.gz QSUNIEAMFNOQFP-CQSZACIVSA-N -1 0 304.306 -0.005 20 0 DBADRM NC(=O)C1(NS(=O)(=O)CC2(C(=O)[O-])CC2)CCCCC1 ZINC001601138445 1017808926 /nfs/dbraw/zinc/80/89/26/1017808926.db2.gz GCPRQJLADVJDAR-UHFFFAOYSA-N -1 0 304.368 -0.041 20 0 DBADRM NC(=O)[C@H](NC(=O)Cn1cc(C(=O)[O-])cn1)c1ccccn1 ZINC001601137653 1017808998 /nfs/dbraw/zinc/80/89/98/1017808998.db2.gz BUGBDGDFAIOKOP-LLVKDONJSA-N -1 0 303.278 -0.681 20 0 DBADRM NC(=O)[C@]1(NCC(=O)Nc2ccccc2C(=O)[O-])CCOC1 ZINC001601138473 1017809403 /nfs/dbraw/zinc/80/94/03/1017809403.db2.gz HPXKOMJBYNQKEO-AWEZNQCLSA-N -1 0 307.306 -0.443 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)CC2(C(=O)[O-])CCC2)O1 ZINC001601142950 1017809571 /nfs/dbraw/zinc/80/95/71/1017809571.db2.gz VTCKCHWTFXZMKC-DTWKUNHWSA-N -1 0 320.367 -0.806 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)Nc2cccc(CC(=O)[O-])n2)CC1 ZINC001601141536 1017809897 /nfs/dbraw/zinc/80/98/97/1017809897.db2.gz XNPSIQDGWBRMJJ-UHFFFAOYSA-N -1 0 322.321 -0.447 20 0 DBADRM NC(=O)[C@]1(O)CCN(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC001601140677 1017810030 /nfs/dbraw/zinc/81/00/30/1017810030.db2.gz JNDSEQDNJCZOTE-AWEZNQCLSA-N -1 0 308.290 -0.788 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)CCCCCC(=O)[O-])O1 ZINC001601142028 1017810118 /nfs/dbraw/zinc/81/01/18/1017810118.db2.gz FTDAVBKUSAVNOA-UWVGGRQHSA-N -1 0 322.383 -0.416 20 0 DBADRM NC(=O)[C@H]1CN(CC(=O)NC2(C(=O)[O-])CCCCC2)CCO1 ZINC001601145995 1017810805 /nfs/dbraw/zinc/81/08/05/1017810805.db2.gz KOYSNOQBUJNLHJ-SNVBAGLBSA-N -1 0 313.354 -0.924 20 0 DBADRM NC(=O)CC(=O)N1CC[C@@H](CCNc2ccnc(C(=O)[O-])n2)C1 ZINC001601144933 1017810880 /nfs/dbraw/zinc/81/08/80/1017810880.db2.gz ADOVAGRKAALYHQ-SECBINFHSA-N -1 0 321.337 -0.877 20 0 DBADRM NC(=O)C1CN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C1 ZINC001601145548 1017810895 /nfs/dbraw/zinc/81/08/95/1017810895.db2.gz GLTCPYWXIVXZPT-UHFFFAOYSA-N -1 0 308.699 -0.263 20 0 DBADRM NC(=O)CC(=O)N[C@@H]1CCC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001601144954 1017811088 /nfs/dbraw/zinc/81/10/88/1017811088.db2.gz AGDAKDDGFBELRX-DTWKUNHWSA-N -1 0 321.337 -0.689 20 0 DBADRM NC(=O)CC(=O)NCCCN(c1ncc(C(=O)[O-])cn1)C1CC1 ZINC001601145777 1017811163 /nfs/dbraw/zinc/81/11/63/1017811163.db2.gz MCAHYFCGFXFIGN-UHFFFAOYSA-N -1 0 321.337 -0.475 20 0 DBADRM NC(=O)CC(=O)N1CCC[C@@H](CNc2ncc(C(=O)[O-])cn2)C1 ZINC001601145967 1017811474 /nfs/dbraw/zinc/81/14/74/1017811474.db2.gz NUQIRQZDZNLLNF-VIFPVBQESA-N -1 0 321.337 -0.299 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001601143938 1017811540 /nfs/dbraw/zinc/81/15/40/1017811540.db2.gz DPHBZNIUBAHNNW-ZJUUUORDSA-N -1 0 313.354 -0.625 20 0 DBADRM NC(=O)CC(=O)N1CC[C@H]2CN(c3ccnc(C(=O)[O-])n3)C[C@H]21 ZINC001601145686 1017811584 /nfs/dbraw/zinc/81/15/84/1017811584.db2.gz KUHPOUMMTTXEBI-DTWKUNHWSA-N -1 0 319.321 -0.913 20 0 DBADRM NC(=O)CC1(CNC(=O)Cn2cc(C(=O)[O-])nn2)CCCCC1 ZINC001601147339 1017812189 /nfs/dbraw/zinc/81/21/89/1017812189.db2.gz MELSIBJTCNAXGT-UHFFFAOYSA-N -1 0 323.353 -0.082 20 0 DBADRM NC(=O)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCCC1 ZINC001601146407 1017812263 /nfs/dbraw/zinc/81/22/63/1017812263.db2.gz SKOKIQUQUZMJMB-RKDXNWHRSA-N -1 0 311.338 -0.872 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2ccsc2C(=O)[O-])C[C@H]1C(N)=O ZINC001601147063 1017812290 /nfs/dbraw/zinc/81/22/90/1017812290.db2.gz XDNKTFZRXZGLMA-KNVOCYPGSA-N -1 0 311.319 -0.895 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cn2)CCO1 ZINC001601148463 1017812619 /nfs/dbraw/zinc/81/26/19/1017812619.db2.gz OAZJYGLGMMHBFO-VIFPVBQESA-N -1 0 308.294 -0.112 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C[C@@H]1C(N)=O ZINC001601146845 1017812698 /nfs/dbraw/zinc/81/26/98/1017812698.db2.gz VVBZJXJOMUZOHA-IUCAKERBSA-N -1 0 323.349 -0.933 20 0 DBADRM NC(=O)CC1CC(NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001601147678 1017812784 /nfs/dbraw/zinc/81/27/84/1017812784.db2.gz QNBBLUDMOKCJHB-OAQUUNCKSA-N -1 0 324.337 -0.345 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001601149462 1017812973 /nfs/dbraw/zinc/81/29/73/1017812973.db2.gz XXVVMQMUWVIKAN-QMMMGPOBSA-N -1 0 311.298 -0.924 20 0 DBADRM NC(=O)C[C@H]1COCCN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001601149190 1017813088 /nfs/dbraw/zinc/81/30/88/1017813088.db2.gz VOUMNDJGMHITOX-LBPRGKRZSA-N -1 0 321.333 -0.101 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001601149457 1017813231 /nfs/dbraw/zinc/81/32/31/1017813231.db2.gz XXVVMQMUWVIKAN-MRVPVSSYSA-N -1 0 311.298 -0.924 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2cc(F)cc(C(=O)[O-])c2)CC1=O ZINC001601150589 1017813371 /nfs/dbraw/zinc/81/33/71/1017813371.db2.gz AVOPKMFJVYDVOW-UHFFFAOYSA-N -1 0 323.280 -0.706 20 0 DBADRM NC(=O)Cc1ccc(CNS(=O)(=O)CCCC(=O)[O-])cc1 ZINC001601151805 1017813494 /nfs/dbraw/zinc/81/34/94/1017813494.db2.gz APQRVJFMHBHHRS-UHFFFAOYSA-N -1 0 314.363 -0.001 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC001601150851 1017813542 /nfs/dbraw/zinc/81/35/42/1017813542.db2.gz JAXBBMWDWVYGRL-UHFFFAOYSA-N -1 0 309.297 -0.233 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1=O ZINC001601151277 1017813744 /nfs/dbraw/zinc/81/37/44/1017813744.db2.gz YFFBTHQISHOZAS-UHFFFAOYSA-N -1 0 305.290 -0.846 20 0 DBADRM NC(=O)CN1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)CC1 ZINC001601151210 1017814035 /nfs/dbraw/zinc/81/40/35/1017814035.db2.gz UDRDLTIHUIVYEJ-UHFFFAOYSA-N -1 0 317.349 -0.136 20 0 DBADRM NC(=O)Cn1cc(NC(=O)CCSCC(=O)[O-])ccc1=O ZINC001601154466 1017814233 /nfs/dbraw/zinc/81/42/33/1017814233.db2.gz IQPXYGXOVMKXCX-UHFFFAOYSA-N -1 0 313.335 -0.520 20 0 DBADRM NC(=O)N1CC[C@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001601154739 1017814288 /nfs/dbraw/zinc/81/42/88/1017814288.db2.gz UREDFQCUCHAVGS-SSDOTTSWSA-N -1 0 316.339 -0.608 20 0 DBADRM NC(=O)Cn1cc(C(=O)Oc2ccc(CC(=O)[O-])cc2F)nn1 ZINC001601153423 1017814493 /nfs/dbraw/zinc/81/44/93/1017814493.db2.gz MVGXBLVKXLKTON-UHFFFAOYSA-N -1 0 322.252 -0.251 20 0 DBADRM NC(=O)Cn1cc(NC(=O)NC[C@H]2C[C@H]2C(=O)[O-])ccc1=O ZINC001601154504 1017814769 /nfs/dbraw/zinc/81/47/69/1017814769.db2.gz KUHSSPMPCHHWJB-VXNVDRBHSA-N -1 0 308.294 -0.824 20 0 DBADRM NC(=O)Cn1cc(C(=O)NCc2ccccc2CC(=O)[O-])nn1 ZINC001601153311 1017815047 /nfs/dbraw/zinc/81/50/47/1017815047.db2.gz IPQQTPKPTZGFRD-UHFFFAOYSA-N -1 0 317.305 -0.680 20 0 DBADRM NC(=O)Cn1cc(C(=O)OCc2cccc(C(=O)[O-])n2)nn1 ZINC001601153853 1017815107 /nfs/dbraw/zinc/81/51/07/1017815107.db2.gz YTXNPAUWWIPVFC-UHFFFAOYSA-N -1 0 305.250 -0.786 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)NC[C@]2(C(=O)[O-])CCOC2)O1 ZINC001601157270 1017815292 /nfs/dbraw/zinc/81/52/92/1017815292.db2.gz SPUMBQLPBVMSJN-ISTVAULSSA-N -1 0 314.338 -0.593 20 0 DBADRM NC(=O)NCCCCCC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001601156586 1017815305 /nfs/dbraw/zinc/81/53/05/1017815305.db2.gz WKYCHUBLPDJUDN-UHFFFAOYSA-N -1 0 301.343 -0.347 20 0 DBADRM NC(=O)[C@@H]1CCCN1CCCNS(=O)(=O)CCCC(=O)[O-] ZINC001601158072 1017815489 /nfs/dbraw/zinc/81/54/89/1017815489.db2.gz AKMNCZLLTNQFFF-JTQLQIEISA-N -1 0 321.399 -0.890 20 0 DBADRM NC(=O)NC1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC001601157776 1017815541 /nfs/dbraw/zinc/81/55/41/1017815541.db2.gz NDEUWIBPOGXLOG-UHFFFAOYSA-N -1 0 319.383 -0.296 20 0 DBADRM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2cccnc2C(=O)[O-])C1 ZINC001601158285 1017815569 /nfs/dbraw/zinc/81/55/69/1017815569.db2.gz VIJZNHOLBCBNCS-SSDOTTSWSA-N -1 0 314.323 -0.789 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)O1 ZINC001601156925 1017815637 /nfs/dbraw/zinc/81/56/37/1017815637.db2.gz JSZCLCJGAAVBAA-PPKCKEKNSA-N -1 0 322.321 -0.435 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCc3ccc(C(=O)[O-])nc3C2)O1 ZINC001601158772 1017815771 /nfs/dbraw/zinc/81/57/71/1017815771.db2.gz QQDXLMPWHJLSCJ-NWDGAFQWSA-N -1 0 319.317 -0.303 20 0 DBADRM NC(=O)N[C@@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001601158277 1017815829 /nfs/dbraw/zinc/81/58/29/1017815829.db2.gz VDNKUZISOZXDFW-MRVPVSSYSA-N -1 0 307.310 -0.539 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCOC[C@H]2CC(=O)[O-])O1 ZINC001601157220 1017815881 /nfs/dbraw/zinc/81/58/81/1017815881.db2.gz RKCDSDHIEWELIK-MXWKQRLJSA-N -1 0 314.338 -0.498 20 0 DBADRM NC(=O)c1cc(N2CCC([C@@H](O)C(=O)[O-])CC2)nc(Cl)n1 ZINC001601161957 1017816534 /nfs/dbraw/zinc/81/65/34/1017816534.db2.gz UKBCGXRCGPEBDB-SECBINFHSA-N -1 0 314.729 -0.109 20 0 DBADRM NC(=O)c1ccc(C(=O)NCC[C@H](O)C(=O)[O-])nc1Cl ZINC001601163081 1017816670 /nfs/dbraw/zinc/81/66/70/1017816670.db2.gz ZLWQCSKUKQWOKL-ZETCQYMHSA-N -1 0 301.686 -0.601 20 0 DBADRM NC(=O)c1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001601162761 1017816885 /nfs/dbraw/zinc/81/68/85/1017816885.db2.gz LRBMXFBLGOMMBQ-SFYZADRCSA-N -1 0 321.289 -0.960 20 0 DBADRM NC(=O)c1ccc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001601162762 1017817116 /nfs/dbraw/zinc/81/71/16/1017817116.db2.gz LRBMXFBLGOMMBQ-YUMQZZPRSA-N -1 0 321.289 -0.960 20 0 DBADRM NC(=O)c1ccc(CC(=O)NC2(C(=O)[O-])CC(CO)C2)cc1 ZINC001601164263 1017817514 /nfs/dbraw/zinc/81/75/14/1017817514.db2.gz LIZUPRQMUFCIMH-UHFFFAOYSA-N -1 0 306.318 -0.330 20 0 DBADRM NC(=O)c1cc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])c[nH]1 ZINC001601164184 1017817537 /nfs/dbraw/zinc/81/75/37/1017817537.db2.gz VZFONDXWCWCHBO-MRVPVSSYSA-N -1 0 311.294 -0.550 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001601164641 1017818155 /nfs/dbraw/zinc/81/81/55/1017818155.db2.gz QZRFCWNKVCQONY-ZYHUDNBSSA-N -1 0 307.306 -0.841 20 0 DBADRM NC(=O)c1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)co1 ZINC001601164247 1017818351 /nfs/dbraw/zinc/81/83/51/1017818351.db2.gz WEHIYOLCMVPZHA-RKDXNWHRSA-N -1 0 321.289 -0.960 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1 ZINC001601164139 1017818391 /nfs/dbraw/zinc/81/83/91/1017818391.db2.gz JUVAUYPWODLMFQ-JTQLQIEISA-N -1 0 307.306 -0.575 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001601166996 1017818493 /nfs/dbraw/zinc/81/84/93/1017818493.db2.gz ACVNEUBRRQCBMP-UHFFFAOYSA-N -1 0 308.290 -0.788 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC001601170707 1017818684 /nfs/dbraw/zinc/81/86/84/1017818684.db2.gz JYIQEAQGMNYLMU-VIFPVBQESA-N -1 0 303.278 -0.579 20 0 DBADRM NC(=O)c1ncn(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)n1 ZINC001601172853 1017818701 /nfs/dbraw/zinc/81/87/01/1017818701.db2.gz BOXYJGLUIRSTMD-JTQLQIEISA-N -1 0 303.278 -0.681 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC001601168989 1017818753 /nfs/dbraw/zinc/81/87/53/1017818753.db2.gz OLKVRWWGUOPZFE-URLYPYJESA-N -1 0 310.331 -0.263 20 0 DBADRM NC(=O)c1cnc(C(=O)NCCOCC(=O)[O-])c(Cl)c1 ZINC001601170422 1017818797 /nfs/dbraw/zinc/81/87/97/1017818797.db2.gz WMJHRQWOSYFDCZ-UHFFFAOYSA-N -1 0 301.686 -0.335 20 0 DBADRM NC(=O)c1csc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC001601171971 1017818975 /nfs/dbraw/zinc/81/89/75/1017818975.db2.gz HVEKMKSYEPTHTK-ZCFIWIBFSA-N -1 0 300.296 -0.441 20 0 DBADRM NC(=O)c1cnc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c(Cl)c1 ZINC001601170138 1017819336 /nfs/dbraw/zinc/81/93/36/1017819336.db2.gz SIIKKHXQLQWNBE-LBPRGKRZSA-N -1 0 313.697 -0.193 20 0 DBADRM NC(=O)c1ncn(CC(=O)N[C@@H](C(=O)[O-])c2ccsc2)n1 ZINC001601173032 1017819437 /nfs/dbraw/zinc/81/94/37/1017819437.db2.gz FPPDHRAZLQEDDZ-MRVPVSSYSA-N -1 0 309.307 -0.619 20 0 DBADRM NC(=O)c1nccnc1C(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001601171782 1017819522 /nfs/dbraw/zinc/81/95/22/1017819522.db2.gz CBBNNYMCPYGURK-UHFFFAOYSA-N -1 0 322.321 -0.423 20 0 DBADRM NC(=O)c1csc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC001601171970 1017819569 /nfs/dbraw/zinc/81/95/69/1017819569.db2.gz HVEKMKSYEPTHTK-LURJTMIESA-N -1 0 300.296 -0.441 20 0 DBADRM NC(=O)c1ncn(CC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)n1 ZINC001601174140 1017819820 /nfs/dbraw/zinc/81/98/20/1017819820.db2.gz RRUSEBVPRKTBQL-UHFFFAOYSA-N -1 0 321.268 -0.218 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@@]2(C(=O)[O-])CCSC2)S1 ZINC001601178120 1017820765 /nfs/dbraw/zinc/82/07/65/1017820765.db2.gz IZLWSZSBWAZEBE-FWOIEVBISA-N -1 0 303.365 -0.381 20 0 DBADRM NS(=O)(=O)C1(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])CC1 ZINC001601191977 1017822187 /nfs/dbraw/zinc/82/21/87/1017822187.db2.gz FLTZOQPQLNBJHO-SSDOTTSWSA-N -1 0 319.364 -0.924 20 0 DBADRM NS(=O)(=O)C1(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC001601192708 1017822202 /nfs/dbraw/zinc/82/22/02/1017822202.db2.gz UNVZCRLOAICERN-SNVBAGLBSA-N -1 0 312.347 -0.380 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001601194416 1017823201 /nfs/dbraw/zinc/82/32/01/1017823201.db2.gz QSZDMVWREGLGMY-UHFFFAOYSA-N -1 0 315.351 -0.146 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@@H](C(=O)[O-])c1cccnc1 ZINC001601193289 1017823529 /nfs/dbraw/zinc/82/35/29/1017823529.db2.gz SXCPJIJEQBTRKU-SNVBAGLBSA-N -1 0 301.324 -0.608 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001601193217 1017823557 /nfs/dbraw/zinc/82/35/57/1017823557.db2.gz QQSJOLFEPFYZLU-SECBINFHSA-N -1 0 324.424 -0.136 20 0 DBADRM NS(=O)(=O)CCNC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001601194230 1017823834 /nfs/dbraw/zinc/82/38/34/1017823834.db2.gz XZUDTAYVMKTFEE-GWCFXTLKSA-N -1 0 312.347 -0.350 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(Cc2noc(CCCC(=O)[O-])n2)C1 ZINC001601194159 1017823984 /nfs/dbraw/zinc/82/39/84/1017823984.db2.gz ODILPXGVXBKBHA-MRVPVSSYSA-N -1 0 318.355 -0.660 20 0 DBADRM NS(=O)(=O)CCCC(=O)NCc1ncc(C(=O)[O-])s1 ZINC001601193282 1017824108 /nfs/dbraw/zinc/82/41/08/1017824108.db2.gz SSVLSPWNMFYLGH-UHFFFAOYSA-N -1 0 307.353 -0.474 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001601192891 1017824110 /nfs/dbraw/zinc/82/41/10/1017824110.db2.gz XJWWHYQEPIVBAH-AEJSXWLSSA-N -1 0 320.367 -0.854 20 0 DBADRM NS(=O)(=O)NC1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC001601195350 1017824239 /nfs/dbraw/zinc/82/42/39/1017824239.db2.gz QHXWJWZTHHPSOZ-UHFFFAOYSA-N -1 0 317.298 -0.859 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H](CCF)C(=O)[O-])nc1 ZINC001601197244 1017824416 /nfs/dbraw/zinc/82/44/16/1017824416.db2.gz SJEKBWHPOVHRRC-QMMMGPOBSA-N -1 0 305.287 -0.728 20 0 DBADRM NS(=O)(=O)c1cc(CN2CCC[C@H](O)[C@@H]2C(=O)[O-])co1 ZINC001601196986 1017824489 /nfs/dbraw/zinc/82/44/89/1017824489.db2.gz XYFZBOHVHLXVAD-WCBMZHEXSA-N -1 0 304.324 -0.663 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)o1 ZINC001601197450 1017824755 /nfs/dbraw/zinc/82/47/55/1017824755.db2.gz ZJXXXQJOOLHQGL-NSHDSACASA-N -1 0 318.307 -0.709 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@@H]2C(=O)[O-])oc1Cl ZINC001601195685 1017824782 /nfs/dbraw/zinc/82/47/82/1017824782.db2.gz BZJDAVKBQMKDLG-SCSAIBSYSA-N -1 0 308.699 -0.121 20 0 DBADRM NS(=O)(=O)c1cc(CN2CC(O)(C(=O)[O-])C2)ccc1Cl ZINC001601195502 1017825232 /nfs/dbraw/zinc/82/52/32/1017825232.db2.gz AQYRLCNIMCCXDJ-UHFFFAOYSA-N -1 0 320.754 -0.381 20 0 DBADRM NS(=O)(=O)c1cc(CN2CCOC[C@@H]2CC(=O)[O-])co1 ZINC001601196475 1017825353 /nfs/dbraw/zinc/82/53/53/1017825353.db2.gz LGEKCLSUYKHQOY-VIFPVBQESA-N -1 0 304.324 -0.398 20 0 DBADRM NS(=O)(=O)c1ccc(CN2CCC[C@H](O)[C@@H]2C(=O)[O-])o1 ZINC001601197866 1017826465 /nfs/dbraw/zinc/82/64/65/1017826465.db2.gz AZNNZUGIINXLSP-WCBMZHEXSA-N -1 0 304.324 -0.663 20 0 DBADRM [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)CC[C@H]1F ZINC001601203034 1017826762 /nfs/dbraw/zinc/82/67/62/1017826762.db2.gz QWJGOYAVEHELER-NXEZZACHSA-N -1 0 301.318 -0.793 20 0 DBADRM Nc1ccnc(CNC2(C(=O)[O-])CCS(=O)(=O)CC2)n1 ZINC001601218842 1017826954 /nfs/dbraw/zinc/82/69/54/1017826954.db2.gz QFXVUYFOUPYYLK-UHFFFAOYSA-N -1 0 300.340 -0.820 20 0 DBADRM Nc1cc(S(N)(=O)=O)ccc1C(=O)OCC1(C(=O)[O-])CC1 ZINC001601214234 1017827030 /nfs/dbraw/zinc/82/70/30/1017827030.db2.gz HUCZDGROYWQKGW-UHFFFAOYSA-N -1 0 314.319 -0.062 20 0 DBADRM Nc1ccnc(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])n1 ZINC001601218800 1017827053 /nfs/dbraw/zinc/82/70/53/1017827053.db2.gz OQESBQNHFRUSQJ-MRVPVSSYSA-N -1 0 300.340 -0.868 20 0 DBADRM Nc1cccc(S(=O)(=O)NCCC(=O)NCCC(=O)[O-])c1 ZINC001601217588 1017827268 /nfs/dbraw/zinc/82/72/68/1017827268.db2.gz OHSJDYAWPWVTOF-UHFFFAOYSA-N -1 0 315.351 -0.472 20 0 DBADRM Nc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c(F)c1 ZINC001601216429 1017827385 /nfs/dbraw/zinc/82/73/85/1017827385.db2.gz AQDSRDDUJBPOEU-SECBINFHSA-N -1 0 304.299 -0.118 20 0 DBADRM Nc1ncc(S(=O)(=O)NC2(CC(=O)[O-])CCOCC2)cn1 ZINC001601220990 1017827905 /nfs/dbraw/zinc/82/79/05/1017827905.db2.gz DQBSBILTDBWQGN-UHFFFAOYSA-N -1 0 316.339 -0.639 20 0 DBADRM Nc1ncc2c(n1)CCN(C(=O)c1cnc(C(=O)[O-])cn1)C2 ZINC001601221922 1017827933 /nfs/dbraw/zinc/82/79/33/1017827933.db2.gz SAUSYSVUYJVHPX-UHFFFAOYSA-N -1 0 300.278 -0.255 20 0 DBADRM Nc1ncc2c(n1)CN([C@H]1CCN(CCC(=O)[O-])C1=O)CC2 ZINC001601221629 1017828299 /nfs/dbraw/zinc/82/82/99/1017828299.db2.gz KMXCHQJHKGEZKW-NSHDSACASA-N -1 0 305.338 -0.508 20 0 DBADRM Nc1ncc(S(=O)(=O)N2CCSC[C@@H]2CC(=O)[O-])cn1 ZINC001601221186 1017828569 /nfs/dbraw/zinc/82/85/69/1017828569.db2.gz MNCRVCRGMPYEGN-ZETCQYMHSA-N -1 0 318.380 -0.360 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601221057 1017828583 /nfs/dbraw/zinc/82/85/83/1017828583.db2.gz HCSZLPGQCGFUMU-POYBYMJQSA-N -1 0 321.742 -0.162 20 0 DBADRM Nc1ncn(CC(=O)NCCOc2ccc(C(=O)[O-])cc2)n1 ZINC001601222123 1017828719 /nfs/dbraw/zinc/82/87/19/1017828719.db2.gz LBOMVJFEEXGEDJ-UHFFFAOYSA-N -1 0 305.294 -0.246 20 0 DBADRM Nc1nnc(CC(=O)N[C@@]2(CC(=O)[O-])CCCOC2)s1 ZINC001601224518 1017829243 /nfs/dbraw/zinc/82/92/43/1017829243.db2.gz NRIVULHHEMIXOH-LLVKDONJSA-N -1 0 300.340 -0.197 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C1 ZINC001601228079 1017829695 /nfs/dbraw/zinc/82/96/95/1017829695.db2.gz UMIVZILNIRTXLM-LURJTMIESA-N -1 0 310.228 -0.802 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C[C@H]1COCC2 ZINC001601228817 1017829718 /nfs/dbraw/zinc/82/97/18/1017829718.db2.gz XKFLDBOOTJAPAT-GBIKHYSHSA-N -1 0 317.363 -0.629 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001601228303 1017829751 /nfs/dbraw/zinc/82/97/51/1017829751.db2.gz NKSMMJQDBZJHIF-SBMIAAHKSA-N -1 0 302.352 -0.609 20 0 DBADRM Nc1nnn(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)n1 ZINC001601224597 1017829858 /nfs/dbraw/zinc/82/98/58/1017829858.db2.gz PIUFRLPKAGWZQJ-LPEHRKFASA-N -1 0 308.342 -0.253 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001601248195 1017830169 /nfs/dbraw/zinc/83/01/69/1017830169.db2.gz JNNSKPKCIINBFY-FXPVBKGRSA-N -1 0 303.336 -0.459 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)C[C@@H]2CCOC2)nc1 ZINC001601256399 1017830184 /nfs/dbraw/zinc/83/01/84/1017830184.db2.gz NAIPVBWXGHAFPO-GXSJLCMTSA-N -1 0 324.337 -0.510 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)C[C@@H]2CCOC2)nc1 ZINC001601257138 1017830486 /nfs/dbraw/zinc/83/04/86/1017830486.db2.gz SGNBGFKXANVOKK-ONGXEEELSA-N -1 0 324.337 -0.510 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 ZINC001601246787 1017830636 /nfs/dbraw/zinc/83/06/36/1017830636.db2.gz CXKAWQJWPCZWSR-VLLVSFFDSA-N -1 0 322.361 -0.415 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001601248203 1017830653 /nfs/dbraw/zinc/83/06/53/1017830653.db2.gz JQMFMSXYDXNFFQ-BDAKNGLRSA-N -1 0 319.335 -0.733 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)CCCN2C(=O)CCC2=O)nn1 ZINC001601268013 1017831119 /nfs/dbraw/zinc/83/11/19/1017831119.db2.gz MOALEXUHAIOJHA-UHFFFAOYSA-N -1 0 323.309 -0.978 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CC[C@H]2NC(=O)NC2=O)cn1 ZINC001601265873 1017831634 /nfs/dbraw/zinc/83/16/34/1017831634.db2.gz XYAZHHAOSJAFGC-MRVPVSSYSA-N -1 0 306.278 -0.616 20 0 DBADRM O=C([O-])c1coc(CNC(=O)CCCN2C(=O)CCC2=O)n1 ZINC001601267891 1017831282 /nfs/dbraw/zinc/83/12/82/1017831282.db2.gz GXNPZFMPBVYKMS-UHFFFAOYSA-N -1 0 309.278 -0.082 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNC(=O)CCCn1ccnc1 ZINC001601274574 1017831465 /nfs/dbraw/zinc/83/14/65/1017831465.db2.gz ZQPAGYNQZLOFCI-MNOVXSKESA-N -1 0 308.338 -0.384 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC001601267815 1017831522 /nfs/dbraw/zinc/83/15/22/1017831522.db2.gz CDRAZZRMLBONRU-NSHDSACASA-N -1 0 320.301 -0.376 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)CCC(F)F)n1 ZINC001601262869 1017831662 /nfs/dbraw/zinc/83/16/62/1017831662.db2.gz SSEYXXZUMPRWHK-ZETCQYMHSA-N -1 0 318.280 -0.469 20 0 DBADRM O=C([O-])c1cnc(NCCNC(=O)CCCn2cncn2)nc1 ZINC001601277089 1017832264 /nfs/dbraw/zinc/83/22/64/1017832264.db2.gz XDVJYEQFVHUOIO-UHFFFAOYSA-N -1 0 319.325 -0.225 20 0 DBADRM O=C([O-])c1cnc(CNC(=O)CCN2C(=O)CCC2=O)s1 ZINC001601276969 1017832304 /nfs/dbraw/zinc/83/23/04/1017832304.db2.gz VKRCLQWUTZWHTL-UHFFFAOYSA-N -1 0 311.319 -0.003 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)CCc2c[nH]cn2)CC1 ZINC001601286715 1017832322 /nfs/dbraw/zinc/83/23/22/1017832322.db2.gz LEGXTXVAQKDSSX-MNOVXSKESA-N -1 0 320.349 -0.172 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCNC(=O)OCC(F)(F)F ZINC001601277505 1017832436 /nfs/dbraw/zinc/83/24/36/1017832436.db2.gz KIUJYLKGDBSRJG-YFKPBYRVSA-N -1 0 302.205 -0.773 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)CCN1C(=O)CCNC1=S ZINC001601275346 1017832582 /nfs/dbraw/zinc/83/25/82/1017832582.db2.gz DZJOPSOQTDENDP-UHFFFAOYSA-N -1 0 311.323 -0.457 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)CCNS(=O)(=O)c1cccnc1 ZINC001601278565 1017832791 /nfs/dbraw/zinc/83/27/91/1017832791.db2.gz FQHUANALOFJWAE-SECBINFHSA-N -1 0 319.314 -0.711 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)NCC[C@@]2(O)CCOC2)C1 ZINC001601284497 1017832926 /nfs/dbraw/zinc/83/29/26/1017832926.db2.gz XUHXTKMRYHXRLJ-MISXGVKJSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)CCN2C(=O)CCNC2=S)C1 ZINC001601275859 1017833029 /nfs/dbraw/zinc/83/30/29/1017833029.db2.gz KUMSCKJXCZOEBK-GFCCVEGCSA-N -1 0 317.342 -0.492 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCc1nc(-c2nc[nH]n2)no1)C1CC1 ZINC001601294378 1017833434 /nfs/dbraw/zinc/83/34/34/1017833434.db2.gz JAHRKZYTKIQYMH-SECBINFHSA-N -1 0 306.282 -0.233 20 0 DBADRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001601299627 1017833525 /nfs/dbraw/zinc/83/35/25/1017833525.db2.gz CKIJUZBJRYMOIX-LURJTMIESA-N -1 0 323.227 -0.552 20 0 DBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)NC1(C(=O)[O-])CCC1 ZINC001601301417 1017833539 /nfs/dbraw/zinc/83/35/39/1017833539.db2.gz AQWBWXHAWXHHPW-UHFFFAOYSA-N -1 0 309.322 -0.026 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)CCn2ccnc2)C1 ZINC001601299575 1017833686 /nfs/dbraw/zinc/83/36/86/1017833686.db2.gz NEZZWTQTXRNFLP-BJDJZHNGSA-N -1 0 320.349 -0.243 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001601296683 1017833983 /nfs/dbraw/zinc/83/39/83/1017833983.db2.gz LKTXORHQLXAPBJ-JXUBOQSCSA-N -1 0 321.337 -0.779 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)CCc2nnc[nH]2)C1 ZINC001601296501 1017834287 /nfs/dbraw/zinc/83/42/87/1017834287.db2.gz ITDWICTZKGCYQS-UWVGGRQHSA-N -1 0 321.337 -0.967 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)CCc2nc3cccnc3[nH]2)C1 ZINC001601295723 1017834300 /nfs/dbraw/zinc/83/43/00/1017834300.db2.gz YDJHMSLFJRJPNJ-AWEZNQCLSA-N -1 0 304.306 -0.062 20 0 DBADRM O=C([O-])C1(O)CCN(CC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC001601303834 1017835009 /nfs/dbraw/zinc/83/50/09/1017835009.db2.gz HCQBEOXAAIMQIB-GFCCVEGCSA-N -1 0 312.366 -0.465 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CN1CC[C@H](c2ccccc2)NC1=O ZINC001601305190 1017835213 /nfs/dbraw/zinc/83/52/13/1017835213.db2.gz ZOFOIUKMNVOBDU-NEPJUHHUSA-N -1 0 321.333 -0.295 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC001601302297 1017835302 /nfs/dbraw/zinc/83/53/02/1017835302.db2.gz IPMPJSAZURXCJJ-ZETCQYMHSA-N -1 0 321.293 -0.916 20 0 DBADRM O=C([O-])[C@@H]1CCS(=O)(=O)N1CC(=O)NCC(F)(F)F ZINC001601303107 1017835406 /nfs/dbraw/zinc/83/54/06/1017835406.db2.gz JMSMDTHNCSYAEX-YFKPBYRVSA-N -1 0 304.246 -0.846 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(CC(=O)NCC(=O)c2ccccc2)C1 ZINC001601307086 1017835799 /nfs/dbraw/zinc/83/57/99/1017835799.db2.gz VSSNVDHDPADGLA-OLZOCXBDSA-N -1 0 320.345 -0.247 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)O[C@H]1CCN(C2CC2)C1=O ZINC001601310002 1017835979 /nfs/dbraw/zinc/83/59/79/1017835979.db2.gz JEFJPFPSYYPIEH-QWRGUYRKSA-N -1 0 324.333 -0.384 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NC[C@H]2CCC[C@H](O)C2)C1=O ZINC001601309748 1017836287 /nfs/dbraw/zinc/83/62/87/1017836287.db2.gz DDYKYKHPGHFWDX-SRVKXCTJSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NC2(CF)CCOCC2)C1=O ZINC001601307461 1017836326 /nfs/dbraw/zinc/83/63/26/1017836326.db2.gz BDOQBMYDLZOFOX-JTQLQIEISA-N -1 0 316.329 -0.056 20 0 DBADRM O=C(CN1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1)NCC1CCC1 ZINC001601306572 1017836374 /nfs/dbraw/zinc/83/63/74/1017836374.db2.gz SDJSRCTWNOMLSK-OLZOCXBDSA-N -1 0 323.393 -0.329 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NCCc2cnc(=O)[nH]c2)C1=O ZINC001601309541 1017836392 /nfs/dbraw/zinc/83/63/92/1017836392.db2.gz BOXCJSIGMMVSDY-JTQLQIEISA-N -1 0 322.321 -0.836 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)N[C@H]1CCCCNC1=O ZINC001601308793 1017836451 /nfs/dbraw/zinc/83/64/51/1017836451.db2.gz QVTKWGJUGDDLJO-UWVGGRQHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2CCC[C@H]2CCO)C1=O ZINC001601309315 1017836491 /nfs/dbraw/zinc/83/64/91/1017836491.db2.gz YTHVLPKJBVUKOZ-SRVKXCTJSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NCCSCCCO)C1=O ZINC001601310538 1017836966 /nfs/dbraw/zinc/83/69/66/1017836966.db2.gz NAKIWHKPCNXCJU-JTQLQIEISA-N -1 0 318.395 -0.459 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NCc2cnc3n2CCC3)C1=O ZINC001601310315 1017837001 /nfs/dbraw/zinc/83/70/01/1017837001.db2.gz KLEOVWUPIJLEQN-NSHDSACASA-N -1 0 320.349 -0.231 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)O[C@H]1CC(=O)N(C2CC2)C1 ZINC001601310805 1017837035 /nfs/dbraw/zinc/83/70/35/1017837035.db2.gz RAYKEEAHHUBLBV-WDEREUQCSA-N -1 0 324.333 -0.384 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)CN2CCN(C3CC3)C2=O)CC1 ZINC001601314349 1017837072 /nfs/dbraw/zinc/83/70/72/1017837072.db2.gz GJAGQAYXLFOCFL-UHFFFAOYSA-N -1 0 311.338 -0.676 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)CN1CCCCC(=O)C1=O ZINC001601314990 1017837326 /nfs/dbraw/zinc/83/73/26/1017837326.db2.gz SXDCTMCNGGYRLF-SNVBAGLBSA-N -1 0 322.321 -0.897 20 0 DBADRM O=C(CN1CCCCC1=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001601315145 1017837579 /nfs/dbraw/zinc/83/75/79/1017837579.db2.gz UONXUEJTLQYNBH-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1CC(=O)NCC(=O)c1ccccc1 ZINC001601310643 1017837714 /nfs/dbraw/zinc/83/77/14/1017837714.db2.gz QICUCHXOJXITDH-IUODEOHRSA-N -1 0 320.345 -0.105 20 0 DBADRM O=C(CN1CCCCC1=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001601315146 1017837796 /nfs/dbraw/zinc/83/77/96/1017837796.db2.gz UONXUEJTLQYNBH-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM O=C([O-])C1(NC(=O)CN2CCOC[C@@H](O)C2)CCCCC1 ZINC001601316651 1017837928 /nfs/dbraw/zinc/83/79/28/1017837928.db2.gz HMAASOZYZJYPMI-NSHDSACASA-N -1 0 300.355 -0.417 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](CN2CCN(CC(=O)NC3CC3)CC2)C1(F)F ZINC001601315915 1017838148 /nfs/dbraw/zinc/83/81/48/1017838148.db2.gz HZXMAEFUPLKCIE-PWSUYJOCSA-N -1 0 317.336 -0.152 20 0 DBADRM O=C([O-])C1(NC(=O)CN2CCN(CCO)CC2)CCCCC1 ZINC001601315817 1017838302 /nfs/dbraw/zinc/83/83/02/1017838302.db2.gz CCVRHYIQRSJAJK-UHFFFAOYSA-N -1 0 313.398 -0.500 20 0 DBADRM O=C(CN1CCOC[C@@H]1CCO)NC1(C(=O)[O-])CCCCC1 ZINC001601316606 1017838534 /nfs/dbraw/zinc/83/85/34/1017838534.db2.gz FNABBVXWDJOPTH-LBPRGKRZSA-N -1 0 314.382 -0.027 20 0 DBADRM O=C(CN1CCNCC1=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001601316701 1017838548 /nfs/dbraw/zinc/83/85/48/1017838548.db2.gz RHMKNSNOBGEWEX-GFCCVEGCSA-N -1 0 311.382 -0.185 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CN1CCOCC1)Cc1ccncc1 ZINC001601317073 1017838698 /nfs/dbraw/zinc/83/86/98/1017838698.db2.gz UBZKGBNSKSXJBZ-CYBMUJFWSA-N -1 0 307.350 -0.227 20 0 DBADRM O=C(CN1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1)NCC1CC1 ZINC001601315565 1017838830 /nfs/dbraw/zinc/83/88/30/1017838830.db2.gz PENOOZOHLDXJDO-STQMWFEESA-N -1 0 323.393 -0.232 20 0 DBADRM O=C([O-])c1cnc(N2CCN(CC(=O)NC3CC3)CC2)cn1 ZINC001601316723 1017838890 /nfs/dbraw/zinc/83/88/90/1017838890.db2.gz RVPDZTFNCAXYBP-UHFFFAOYSA-N -1 0 305.338 -0.425 20 0 DBADRM O=C([O-])C12CCC(CC1)N2C(=O)CN1CCS(=O)(=O)CC1 ZINC001601319749 1017839793 /nfs/dbraw/zinc/83/97/93/1017839793.db2.gz YRCRBBNXTDJXCQ-UHFFFAOYSA-N -1 0 316.379 -0.675 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CNC(=O)N1CCc2ccccc2C1 ZINC001601321786 1017839886 /nfs/dbraw/zinc/83/98/86/1017839886.db2.gz REEGVYPOOZARQN-LBPRGKRZSA-N -1 0 321.333 -0.684 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)CNC(=O)OCc1ccccc1 ZINC001601322771 1017839979 /nfs/dbraw/zinc/83/99/79/1017839979.db2.gz YOWBTCIQLGKKSI-NSHDSACASA-N -1 0 310.306 -0.135 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CCNC(=O)CO)[C@H]2CCCC[C@H]12 ZINC001601330374 1017840648 /nfs/dbraw/zinc/84/06/48/1017840648.db2.gz VGDYUUQLUGSFNH-WOPDTQHZSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NCC[C@]1(O)CCOC1 ZINC001601339798 1017840731 /nfs/dbraw/zinc/84/07/31/1017840731.db2.gz CVCUCLBRSUWMPV-ZDUSSCGKSA-N -1 0 314.294 -0.453 20 0 DBADRM O=C(COC[C@H]1CCCO1)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001601337531 1017840879 /nfs/dbraw/zinc/84/08/79/1017840879.db2.gz AWBLNYWGEZAYSI-GHMZBOCLSA-N -1 0 317.338 -0.096 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC001601327717 1017840894 /nfs/dbraw/zinc/84/08/94/1017840894.db2.gz UIANHOPFFOMEIK-VIFPVBQESA-N -1 0 322.289 -0.357 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CCNC(=O)CO)[C@@H]2CCCC[C@@H]21 ZINC001601330371 1017840912 /nfs/dbraw/zinc/84/09/12/1017840912.db2.gz VGDYUUQLUGSFNH-GRYCIOLGSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)CCNC(=O)CO ZINC001601330528 1017841075 /nfs/dbraw/zinc/84/10/75/1017841075.db2.gz YIDATYDRSFGETP-QMMMGPOBSA-N -1 0 310.310 -0.969 20 0 DBADRM O=C([O-])C1(C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC001601330751 1017841084 /nfs/dbraw/zinc/84/10/84/1017841084.db2.gz CFNYCYNYWQVVMG-UHFFFAOYSA-N -1 0 324.333 -0.525 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CNC(=O)Cc2ccc(O)cc2)CCO1 ZINC001601361032 1017841362 /nfs/dbraw/zinc/84/13/62/1017841362.db2.gz FPLRRDGMEPAXDO-LBPRGKRZSA-N -1 0 322.317 -0.637 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NCC(=O)N1CCCC1 ZINC001601341091 1017841623 /nfs/dbraw/zinc/84/16/23/1017841623.db2.gz RCIPKSMTPDFMIW-UHFFFAOYSA-N -1 0 311.294 -0.372 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NC[C@@H]1CCCNC1=O ZINC001601341185 1017841725 /nfs/dbraw/zinc/84/17/25/1017841725.db2.gz VDOILHZUSVCVQV-QMMMGPOBSA-N -1 0 311.294 -0.468 20 0 DBADRM O=C([O-])c1cnc(CCNC(=O)C[C@@H]2NC(=O)NC2=O)s1 ZINC001601352980 1017841851 /nfs/dbraw/zinc/84/18/51/1017841851.db2.gz WOFOTLFNZZOHOU-YFKPBYRVSA-N -1 0 312.307 -0.902 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NC[C@H]2CN3CCN2CC3)cn1 ZINC001601358638 1017841903 /nfs/dbraw/zinc/84/19/03/1017841903.db2.gz WHJDYHXQNHSTMD-LBPRGKRZSA-N -1 0 304.350 -0.562 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)Cc1cncnc1 ZINC001601372219 1017842699 /nfs/dbraw/zinc/84/26/99/1017842699.db2.gz RYKPIGMSBAVBEM-VHYYUZIWSA-N -1 0 318.333 -0.472 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)CNC(=O)Cc2ccccc2)C1 ZINC001601368058 1017843238 /nfs/dbraw/zinc/84/32/38/1017843238.db2.gz USPKOYUDEJBLMT-OAHLLOKOSA-N -1 0 306.318 -0.607 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)Cc2ccon2)nc1 ZINC001601371474 1017843267 /nfs/dbraw/zinc/84/32/67/1017843267.db2.gz OBQSRZNWNQNOMI-SNVBAGLBSA-N -1 0 321.293 -0.706 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)Cc2csc(-c3nc[nH]n3)n2)C1 ZINC001601374193 1017843749 /nfs/dbraw/zinc/84/37/49/1017843749.db2.gz YQIRALMALREGOG-LBPRGKRZSA-N -1 0 323.334 -0.481 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)Cc3cnoc3)CC2)n1 ZINC001601374459 1017843800 /nfs/dbraw/zinc/84/38/00/1017843800.db2.gz VCBCUTNENBZNBS-UHFFFAOYSA-N -1 0 317.305 -0.112 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)Cc1nnc(C2CC2)[nH]1 ZINC001601375810 1017843829 /nfs/dbraw/zinc/84/38/29/1017843829.db2.gz ZTOVYLDSRNFLIH-SECBINFHSA-N -1 0 304.310 -0.240 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC[C@H](C3OCCO3)C2)CC1 ZINC001601709586 1017867412 /nfs/dbraw/zinc/86/74/12/1017867412.db2.gz CTXXBQVUWBFLPD-VIFPVBQESA-N -1 0 305.352 -0.124 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NCc2cc(=O)[nH]c(=S)[nH]2)c1 ZINC001601379609 1017843974 /nfs/dbraw/zinc/84/39/74/1017843974.db2.gz AQYNKCCQUHPTHK-UHFFFAOYSA-N -1 0 309.307 -0.318 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)Cc2cscn2)C1 ZINC001601374859 1017844218 /nfs/dbraw/zinc/84/42/18/1017844218.db2.gz BKHBFLQSHPDUGV-QWRGUYRKSA-N -1 0 323.374 -0.019 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)Cc2ncc[nH]2)CCC1 ZINC001601376291 1017844276 /nfs/dbraw/zinc/84/42/76/1017844276.db2.gz PWHZLLLZUYXLMV-VHSXEESVSA-N -1 0 320.349 -0.172 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCc2nc(C(F)(F)F)n[nH]2)nn1 ZINC001601381801 1017844970 /nfs/dbraw/zinc/84/49/70/1017844970.db2.gz IQJCWQPBVQYZHJ-UHFFFAOYSA-N -1 0 319.203 -0.570 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)Cn2cccn2)C1 ZINC001601389393 1017846094 /nfs/dbraw/zinc/84/60/94/1017846094.db2.gz NJEPXTSZZZXLBR-WRWGMCAJSA-N -1 0 320.349 -0.385 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)Cn2cncn2)CCC1 ZINC001601389744 1017846296 /nfs/dbraw/zinc/84/62/96/1017846296.db2.gz SNDKIMGQXSNHOF-UWVGGRQHSA-N -1 0 321.337 -0.846 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)Cn1cccnc1=O ZINC001601389622 1017846460 /nfs/dbraw/zinc/84/64/60/1017846460.db2.gz VNDMSBFAFJJMJH-QWRGUYRKSA-N -1 0 309.322 -0.371 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N[C@@H](CO)CC(F)(F)F)c1=O ZINC001601386893 1017846475 /nfs/dbraw/zinc/84/64/75/1017846475.db2.gz QJEOCUJIKBNLND-SSDOTTSWSA-N -1 0 322.239 -0.024 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cn2cccn2)C1 ZINC001601389115 1017846632 /nfs/dbraw/zinc/84/66/32/1017846632.db2.gz AXBYHQYOWNWKFP-USZNOCQGSA-N -1 0 320.349 -0.385 20 0 DBADRM O=C([O-])C1(NC(=O)Cn2ncc3cccnc32)CC(CO)C1 ZINC001601391560 1017846879 /nfs/dbraw/zinc/84/68/79/1017846879.db2.gz MKZZYUGVXDPXIS-UHFFFAOYSA-N -1 0 304.306 -0.227 20 0 DBADRM O=C([O-])C1(C2(O)CCN(C(=O)[C@]3(O)CCOC3)CC2)CCC1 ZINC001601392777 1017846925 /nfs/dbraw/zinc/84/69/25/1017846925.db2.gz VACDPAGMXVQMIJ-AWEZNQCLSA-N -1 0 313.350 -0.254 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001601391266 1017846938 /nfs/dbraw/zinc/84/69/38/1017846938.db2.gz GLHATQHWCPHVLP-GWOFURMSSA-N -1 0 321.337 -0.990 20 0 DBADRM O=C([O-])[C@H](CC(F)F)NC(=O)Cn1ncn2nccc2c1=O ZINC001601391918 1017847013 /nfs/dbraw/zinc/84/70/13/1017847013.db2.gz WAZIMWDPBANLBY-LURJTMIESA-N -1 0 315.236 -0.884 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)N[C@H](CC1CC1)C(=O)[O-] ZINC001601391040 1017847105 /nfs/dbraw/zinc/84/71/05/1017847105.db2.gz IAXFSHWRRBXWFO-SNVBAGLBSA-N -1 0 308.338 -0.249 20 0 DBADRM O=C([O-])c1ccc(COC(=O)Cn2ncn3nccc3c2=O)o1 ZINC001601391424 1017847174 /nfs/dbraw/zinc/84/71/74/1017847174.db2.gz LMGCRIJMKOVBRD-UHFFFAOYSA-N -1 0 318.245 -0.074 20 0 DBADRM O=C([O-])[C@H](CNC(=O)Cn1ncn2nccc2c1=O)CC1CC1 ZINC001601391864 1017847280 /nfs/dbraw/zinc/84/72/80/1017847280.db2.gz RZJFISLAIQOLEC-JTQLQIEISA-N -1 0 319.321 -0.492 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1cc(N2CCOCC2)ncn1)C1CC1 ZINC001601392999 1017847287 /nfs/dbraw/zinc/84/72/87/1017847287.db2.gz CEAMHDJFPLZWLY-GFCCVEGCSA-N -1 0 306.322 -0.094 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ncnn1 ZINC001601391110 1017847334 /nfs/dbraw/zinc/84/73/34/1017847334.db2.gz FFOYSQFBSDGNIO-LBPRGKRZSA-N -1 0 314.305 -0.034 20 0 DBADRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001601408534 1017847529 /nfs/dbraw/zinc/84/75/29/1017847529.db2.gz IEGSAZPZZDCBRX-HBNTYKKESA-N -1 0 308.338 -0.021 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)c1cnn2ccncc12 ZINC001601426026 1017848012 /nfs/dbraw/zinc/84/80/12/1017848012.db2.gz PPAUMACKIGQYNH-JTQLQIEISA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])C1(NC(=O)[C@@H]2CCc3nncn3CC2)CC(CO)C1 ZINC001601428006 1017848046 /nfs/dbraw/zinc/84/80/46/1017848046.db2.gz QQQYLUTUAKSYAB-OPASDULOSA-N -1 0 308.338 -0.428 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001601420510 1017848222 /nfs/dbraw/zinc/84/82/22/1017848222.db2.gz VCZIRMSTJYGYMA-JTQLQIEISA-N -1 0 321.264 -0.453 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)c1ccc2nncn2c1 ZINC001601426641 1017848359 /nfs/dbraw/zinc/84/83/59/1017848359.db2.gz ZZFBHYFPHLIKEQ-SNVBAGLBSA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001601425521 1017848400 /nfs/dbraw/zinc/84/84/00/1017848400.db2.gz CKSURPLWROFIOM-MNOVXSKESA-N -1 0 303.322 -0.088 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)CCOC1 ZINC001601430602 1017848786 /nfs/dbraw/zinc/84/87/86/1017848786.db2.gz MYYLTLHUFLBCDO-JXTJILHLSA-N -1 0 311.290 -0.933 20 0 DBADRM O=C([O-])C1(NC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)CCOCC1 ZINC001601431061 1017848874 /nfs/dbraw/zinc/84/88/74/1017848874.db2.gz OBPUVIXVWLAOGJ-FGWVZKOKSA-N -1 0 311.334 -0.022 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C1 ZINC001601440443 1017849075 /nfs/dbraw/zinc/84/90/75/1017849075.db2.gz PZBRTMUWXAKBGX-QCNOEVLYSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@@H]2CCC(F)(F)C2)C1 ZINC001601436676 1017849078 /nfs/dbraw/zinc/84/90/78/1017849078.db2.gz BKTZGAHUKAGFDU-DJLDLDEBSA-N -1 0 320.292 -0.416 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)nn1 ZINC001601434979 1017849195 /nfs/dbraw/zinc/84/91/95/1017849195.db2.gz XYXOMTFSTLDVDR-SECBINFHSA-N -1 0 322.325 -0.961 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC2CC3(CC3(F)F)C2)CCO1 ZINC001601435543 1017849243 /nfs/dbraw/zinc/84/92/43/1017849243.db2.gz CDYMILAOBKWPLU-UWZOBUBJSA-N -1 0 318.276 -0.398 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)O1 ZINC001601433470 1017849447 /nfs/dbraw/zinc/84/94/47/1017849447.db2.gz FUGKRNXRHXYOGC-MXWKQRLJSA-N -1 0 311.338 -0.319 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)cn1 ZINC001601434144 1017849480 /nfs/dbraw/zinc/84/94/80/1017849480.db2.gz OUIVFCORIYUZRC-VIFPVBQESA-N -1 0 319.321 -0.149 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@H]2C(=O)NCC23CCOCC3)ccn1 ZINC001601434218 1017849606 /nfs/dbraw/zinc/84/96/06/1017849606.db2.gz HZGOZKAUNIXYLA-NSHDSACASA-N -1 0 319.317 -0.195 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC001601447180 1017850061 /nfs/dbraw/zinc/85/00/61/1017850061.db2.gz VVIZLBIVKCQYQS-PWSUYJOCSA-N -1 0 324.308 -0.151 20 0 DBADRM O=C([O-])c1cc(C(=O)NC2CCN([C@@H]3CCOC3=O)CC2)no1 ZINC001601441616 1017850202 /nfs/dbraw/zinc/85/02/02/1017850202.db2.gz OCGIJAPMBFJFPL-SNVBAGLBSA-N -1 0 323.305 -0.118 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2cccc(=O)[nH]2)C1 ZINC001601447695 1017850254 /nfs/dbraw/zinc/85/02/54/1017850254.db2.gz IZCUOHOHABDHBQ-RKDXNWHRSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])C1CC2(C1)C[C@@H](NC(=O)N[C@@H]1COC[C@H]1O)CCO2 ZINC001601445508 1017850259 /nfs/dbraw/zinc/85/02/59/1017850259.db2.gz BGHHWRGLVWRTLQ-QGEVJVQHSA-N -1 0 314.338 -0.542 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)CNC(=O)c2ccsc2)C1 ZINC001601446319 1017850480 /nfs/dbraw/zinc/85/04/80/1017850480.db2.gz KPEULGATPZLJMN-ZJUUUORDSA-N -1 0 312.347 -0.228 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)CNC(=O)c2ccsc2)C1 ZINC001601446313 1017850483 /nfs/dbraw/zinc/85/04/83/1017850483.db2.gz KPEULGATPZLJMN-NXEZZACHSA-N -1 0 312.347 -0.228 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2ccncc2F)C1 ZINC001601447840 1017850593 /nfs/dbraw/zinc/85/05/93/1017850593.db2.gz KNEHYCLHZANFQX-UWVGGRQHSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC001601441563 1017850617 /nfs/dbraw/zinc/85/06/17/1017850617.db2.gz LLHGRHXRHPGYFI-TUAOUCFPSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2cnn(CCF)c2)C1 ZINC001601447714 1017850699 /nfs/dbraw/zinc/85/06/99/1017850699.db2.gz JHDUQUFLZPLDRK-WDEREUQCSA-N -1 0 324.312 -0.486 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(=O)NC1CCOCC1)C2 ZINC001601443075 1017850764 /nfs/dbraw/zinc/85/07/64/1017850764.db2.gz CMEUVZDULDKVFX-BONVTDFDSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2cnn(CCF)c2)C1 ZINC001601447704 1017850949 /nfs/dbraw/zinc/85/09/49/1017850949.db2.gz JHDUQUFLZPLDRK-GHMZBOCLSA-N -1 0 324.312 -0.486 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCOC1 ZINC001601452509 1017851113 /nfs/dbraw/zinc/85/11/13/1017851113.db2.gz OLOTYNBRJWTNRQ-AEJSXWLSSA-N -1 0 305.352 -0.725 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C1=CCS(=O)(=O)C1)[C@@H]1CCOC1 ZINC001601451797 1017851483 /nfs/dbraw/zinc/85/14/83/1017851483.db2.gz JRQWBCXQENEXKE-PSASIEDQSA-N -1 0 303.336 -0.805 20 0 DBADRM O=C([O-])c1cn(-c2cccc(NC(=O)NC[C@@H](O)CO)c2)nn1 ZINC001601466324 1017851638 /nfs/dbraw/zinc/85/16/38/1017851638.db2.gz JSZAXTDBNQSDPC-SNVBAGLBSA-N -1 0 321.293 -0.560 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC001601449039 1017851749 /nfs/dbraw/zinc/85/17/49/1017851749.db2.gz UGIPAHKWZSDIBF-VHSXEESVSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001601449392 1017851977 /nfs/dbraw/zinc/85/19/77/1017851977.db2.gz WGOXEXCYCYEPDL-NXEZZACHSA-N -1 0 318.333 -0.052 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NCC(F)F)Cc1ccncc1 ZINC001601461186 1017852003 /nfs/dbraw/zinc/85/20/03/1017852003.db2.gz PGSXGJINGKDVNN-SECBINFHSA-N -1 0 315.276 -0.178 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCC1(CNC(=O)c2nnc[nH]2)CC1 ZINC001601475060 1017852253 /nfs/dbraw/zinc/85/22/53/1017852253.db2.gz ZYIQEVBIQGXMRJ-IUCAKERBSA-N -1 0 321.337 -0.458 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCC2(C3CC3)CCC2)C1 ZINC001601474702 1017852278 /nfs/dbraw/zinc/85/22/78/1017852278.db2.gz JDHPZUYRVSDACL-ZYHUDNBSSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2cc[nH]c(=O)c2)CC1 ZINC001601475729 1017852326 /nfs/dbraw/zinc/85/23/26/1017852326.db2.gz HMCCCTTXFRSULH-VHSXEESVSA-N -1 0 319.317 -0.114 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)c3cn[nH]c3)CC2)n1 ZINC001601475405 1017852431 /nfs/dbraw/zinc/85/24/31/1017852431.db2.gz BGNYRDLKUZAUNK-UHFFFAOYSA-N -1 0 302.294 -0.306 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)[C@H]2COCCN2CC(F)F)CCOC1 ZINC001601473125 1017852550 /nfs/dbraw/zinc/85/25/50/1017852550.db2.gz ITMXDGWVYLOGON-NOZJJQNGSA-N -1 0 322.308 -0.440 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)CCOC1 ZINC001601474250 1017852632 /nfs/dbraw/zinc/85/26/32/1017852632.db2.gz WUXVDBBNWYBRKK-NHYWBVRUSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)c2ccnc3[nH]c(=O)[nH]c32)CCOC1 ZINC001601471281 1017852967 /nfs/dbraw/zinc/85/29/67/1017852967.db2.gz BSSUETNGUKMWLY-ZDUSSCGKSA-N -1 0 306.278 -0.115 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ncc[nH]2)CCC1 ZINC001601475460 1017852998 /nfs/dbraw/zinc/85/29/98/1017852998.db2.gz CZVXSGNBBSXMND-RKDXNWHRSA-N -1 0 306.322 -0.101 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2ccncc2)C1 ZINC001601487772 1017853216 /nfs/dbraw/zinc/85/32/16/1017853216.db2.gz ITTAHYJQDJKMPO-RYUDHWBXSA-N -1 0 303.318 -0.010 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCC2CC3(C2)OCCO3)C1 ZINC001601479065 1017853346 /nfs/dbraw/zinc/85/33/46/1017853346.db2.gz OPDBBEXRIPUWDD-SNVBAGLBSA-N -1 0 312.322 -0.811 20 0 DBADRM O=C([O-])c1nccc(NC2CC(CNC(=O)c3cn[nH]n3)C2)n1 ZINC001601479561 1017853705 /nfs/dbraw/zinc/85/37/05/1017853705.db2.gz QPTHNIDWAWTDLL-UHFFFAOYSA-N -1 0 317.309 -0.665 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)C(=O)NC[C@@H]1CCOC1)CC2 ZINC001601486697 1017853754 /nfs/dbraw/zinc/85/37/54/1017853754.db2.gz QBDCHRQCQJDIQT-RWSFTLGLSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NC[C@@H]2CCC3(CCOCC3)O2)C1 ZINC001601481024 1017854043 /nfs/dbraw/zinc/85/40/43/1017854043.db2.gz JOLQQRUQPZPWSZ-JTQLQIEISA-N -1 0 314.338 -0.445 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC001601485780 1017854109 /nfs/dbraw/zinc/85/41/09/1017854109.db2.gz ZWOHUBIWFZCSJM-IVZWLZJFSA-N -1 0 304.368 -0.169 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)CCNC(=O)c1ccco1 ZINC001601490494 1017854342 /nfs/dbraw/zinc/85/43/42/1017854342.db2.gz CHYOBEQNDVIZJY-BXKDBHETSA-N -1 0 310.306 -0.164 20 0 DBADRM O=C([O-])c1nccc(NCC=CCNC(=O)c2ccn[nH]2)n1 ZINC001601491095 1017854545 /nfs/dbraw/zinc/85/45/45/1017854545.db2.gz JAURDMIJTUEEGU-OWOJBTEDSA-N -1 0 302.294 -0.282 20 0 DBADRM O=C([O-])c1nccc(NC/C=C/CNC(=O)c2cn[nH]c2)n1 ZINC001601490651 1017854723 /nfs/dbraw/zinc/85/47/23/1017854723.db2.gz DWBNKYJXDZCDAU-OWOJBTEDSA-N -1 0 302.294 -0.282 20 0 DBADRM O=C([O-])c1nccc(NCC=CCNC(=O)c2cnsn2)n1 ZINC001601493576 1017854806 /nfs/dbraw/zinc/85/48/06/1017854806.db2.gz ZRXZRLDMWHCLML-OWOJBTEDSA-N -1 0 320.334 -0.154 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NCC2Cc3ccccc3C2)C1 ZINC001601489400 1017854813 /nfs/dbraw/zinc/85/48/13/1017854813.db2.gz NQFGEDGKAMDTSF-UHFFFAOYSA-N -1 0 318.329 -0.825 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2cccnn2)C1 ZINC001601488329 1017855020 /nfs/dbraw/zinc/85/50/20/1017855020.db2.gz OZYBDFLQZKBXIC-UWVGGRQHSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)NCCCn2ccnn2)C1 ZINC001601500724 1017855456 /nfs/dbraw/zinc/85/54/56/1017855456.db2.gz LNFMPZGBXKFHKG-JTQLQIEISA-N -1 0 309.326 -0.892 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCNC(=O)c1cnccn1)C1CC1 ZINC001601501965 1017856044 /nfs/dbraw/zinc/85/60/44/1017856044.db2.gz VLQHKLLUWTUBJD-GHMZBOCLSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1cccc(=O)[nH]1 ZINC001601498711 1017856117 /nfs/dbraw/zinc/85/61/17/1017856117.db2.gz HOSDEPWMOKRNPJ-RKDXNWHRSA-N -1 0 307.306 -0.256 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)C1=CCCC1 ZINC001601501609 1017856152 /nfs/dbraw/zinc/85/61/52/1017856152.db2.gz FACRUVBMZTZUQO-NWDGAFQWSA-N -1 0 310.350 -0.246 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)NCCCN2C(=O)CNC2=O)C1 ZINC001601497891 1017856288 /nfs/dbraw/zinc/85/62/88/1017856288.db2.gz FDPQGRYLVLLWKZ-SECBINFHSA-N -1 0 310.310 -0.599 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNC(=O)c1ccnc2[nH]cnc21 ZINC001601503960 1017856921 /nfs/dbraw/zinc/85/69/21/1017856921.db2.gz OLFXLDHSTCIUKI-IUCAKERBSA-N -1 0 317.305 -0.475 20 0 DBADRM O=C(NCCOC[C@H]1CCCO1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601505144 1017857120 /nfs/dbraw/zinc/85/71/20/1017857120.db2.gz BUHPCOAOJQCDKO-OUAUKWLOSA-N -1 0 314.338 -0.722 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1cc2ncccn2n1 ZINC001601502906 1017857128 /nfs/dbraw/zinc/85/71/28/1017857128.db2.gz CNJKRRWMGUROLW-RKDXNWHRSA-N -1 0 317.305 -0.704 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1ccnc2[nH]cnc21 ZINC001601503957 1017857143 /nfs/dbraw/zinc/85/71/43/1017857143.db2.gz OLFXLDHSTCIUKI-DTWKUNHWSA-N -1 0 317.305 -0.475 20 0 DBADRM O=C(NCCOC[C@@H]1CCCO1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601505143 1017857150 /nfs/dbraw/zinc/85/71/50/1017857150.db2.gz BUHPCOAOJQCDKO-AXFHLTTASA-N -1 0 314.338 -0.722 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNC(=O)c1ccnc2[nH]cnc21 ZINC001601503954 1017857437 /nfs/dbraw/zinc/85/74/37/1017857437.db2.gz OLFXLDHSTCIUKI-BDAKNGLRSA-N -1 0 317.305 -0.475 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)C(=O)N[C@H]2CCOC2)cc1 ZINC001601507778 1017857923 /nfs/dbraw/zinc/85/79/23/1017857923.db2.gz HSBMAVHTJOINOE-LBPRGKRZSA-N -1 0 306.318 -0.051 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCCc2ccccn2)C1 ZINC001601515121 1017858004 /nfs/dbraw/zinc/85/80/04/1017858004.db2.gz SQKJFEXLPNAHKN-ZYHUDNBSSA-N -1 0 321.333 -0.966 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@@H]2COC[C@@H]2C2CC2)nn1 ZINC001601517825 1017858056 /nfs/dbraw/zinc/85/80/56/1017858056.db2.gz OCTYGXZIKMKMDR-MWLCHTKSSA-N -1 0 309.326 -0.300 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCCc2ccccn2)C1 ZINC001601515120 1017858415 /nfs/dbraw/zinc/85/84/15/1017858415.db2.gz SQKJFEXLPNAHKN-PWSUYJOCSA-N -1 0 321.333 -0.966 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NCCc2ccccc2F)C1 ZINC001601515149 1017858542 /nfs/dbraw/zinc/85/85/42/1017858542.db2.gz VETZGVKAONJJEJ-UHFFFAOYSA-N -1 0 310.281 -0.858 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCc2cccc(CO)c2)nn1 ZINC001601518867 1017858786 /nfs/dbraw/zinc/85/87/86/1017858786.db2.gz XHERKQABFBNVQM-UHFFFAOYSA-N -1 0 319.321 -0.032 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001601521605 1017859085 /nfs/dbraw/zinc/85/90/85/1017859085.db2.gz ZJKZLGLHGPUSDU-UTLUCORTSA-N -1 0 302.302 -0.447 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001601522763 1017859111 /nfs/dbraw/zinc/85/91/11/1017859111.db2.gz FUBBAZNKHZTODO-RNWYCLNJSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC001601520680 1017859272 /nfs/dbraw/zinc/85/92/72/1017859272.db2.gz LZSCFLQIGZGHNK-QWRGUYRKSA-N -1 0 309.297 -0.064 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC001601519728 1017859397 /nfs/dbraw/zinc/85/93/97/1017859397.db2.gz CWWRAOYHMYLCHH-WDSKDSINSA-N -1 0 316.207 -0.685 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N(C[C@H]1CCOC1)C1CC1 ZINC001601520078 1017859444 /nfs/dbraw/zinc/85/94/44/1017859444.db2.gz BVWRMPYILRXKMB-SCZZXKLOSA-N -1 0 302.302 -0.447 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001601522679 1017859498 /nfs/dbraw/zinc/85/94/98/1017859498.db2.gz AVJNEDIOBOHIKI-RMPHRYRLSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC001601524162 1017860136 /nfs/dbraw/zinc/86/01/36/1017860136.db2.gz WDFYUQZBRRXYSN-NSHDSACASA-N -1 0 320.301 -0.489 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001601523303 1017860190 /nfs/dbraw/zinc/86/01/90/1017860190.db2.gz CCFKETYNEAIKNW-ZJUUUORDSA-N -1 0 313.331 -0.491 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC001601526869 1017860328 /nfs/dbraw/zinc/86/03/28/1017860328.db2.gz IXTUYBCQXKPIOZ-ROHXPCBUSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001601524258 1017860415 /nfs/dbraw/zinc/86/04/15/1017860415.db2.gz POHLAAQTAKFTCT-NEPJUHHUSA-N -1 0 306.318 -0.290 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001601527035 1017860830 /nfs/dbraw/zinc/86/08/30/1017860830.db2.gz ODGLSJJMTBMCSH-BGZDPUMWSA-N -1 0 324.312 -0.106 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](CCF)C1 ZINC001601526841 1017860606 /nfs/dbraw/zinc/86/06/06/1017860606.db2.gz IAWWWTFXUIKAMX-KXUCPTDWSA-N -1 0 302.302 -0.590 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CO)C1CCOCC1 ZINC001601524384 1017860633 /nfs/dbraw/zinc/86/06/33/1017860633.db2.gz XZNBINKETLEADJ-IJLUTSLNSA-N -1 0 316.354 -0.437 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)c2cnns2)C1 ZINC001601526429 1017860645 /nfs/dbraw/zinc/86/06/45/1017860645.db2.gz AHFGRWCLQSGTAH-JBDRJPRFSA-N -1 0 324.362 -0.117 20 0 DBADRM O=C(NCc1nc2c(c(=O)[nH]1)COCC2)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001601548965 1017860934 /nfs/dbraw/zinc/86/09/34/1017860934.db2.gz AKCMCRLVIFVLIE-ZKCHVHJHSA-N -1 0 322.321 -0.083 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001601527260 1017860952 /nfs/dbraw/zinc/86/09/52/1017860952.db2.gz VQJXQJJJIMLYFB-ROHXPCBUSA-N -1 0 322.361 -0.103 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001601527038 1017861005 /nfs/dbraw/zinc/86/10/05/1017861005.db2.gz ODGLSJJMTBMCSH-XSPKLOCKSA-N -1 0 324.312 -0.106 20 0 DBADRM O=C(NCc1cccc(CO)c1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001601541256 1017861098 /nfs/dbraw/zinc/86/10/98/1017861098.db2.gz JTRGXADFFJIVJA-HAQNSBGRSA-N -1 0 306.318 -0.226 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001601527321 1017861150 /nfs/dbraw/zinc/86/11/50/1017861150.db2.gz YXHYSRQNOLASNS-FDYHWXHSSA-N -1 0 323.393 -0.044 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)C2=NN(CCO)C(=O)CC2)nc1 ZINC001601534371 1017861323 /nfs/dbraw/zinc/86/13/23/1017861323.db2.gz NGIGSEDZGGWYSR-UHFFFAOYSA-N -1 0 320.305 -0.633 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)C(=O)N[C@H]2CCNC2=O)s1 ZINC001601535886 1017861441 /nfs/dbraw/zinc/86/14/41/1017861441.db2.gz SUJAJVBFKNZVJL-ZETCQYMHSA-N -1 0 311.319 -0.933 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)C(=O)NCc2ccncc2)C1 ZINC001601545669 1017861701 /nfs/dbraw/zinc/86/17/01/1017861701.db2.gz ZOXKMMYZGQWJIF-NSHDSACASA-N -1 0 323.374 -0.026 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001601570979 1017862531 /nfs/dbraw/zinc/86/25/31/1017862531.db2.gz TWBVSIMYVHZFIA-ZNSHCXBVSA-N -1 0 306.322 -0.604 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC001601569574 1017862555 /nfs/dbraw/zinc/86/25/55/1017862555.db2.gz GDLXQUYCXAEFKJ-BKPPORCPSA-N -1 0 324.255 -0.245 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1nc2ncc(CCO)cn2n1 ZINC001601571472 1017862561 /nfs/dbraw/zinc/86/25/61/1017862561.db2.gz SOHQENAMXYHJKL-BDAKNGLRSA-N -1 0 305.294 -0.748 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCC(CCCO)CC1 ZINC001601571122 1017862818 /nfs/dbraw/zinc/86/28/18/1017862818.db2.gz CFHQBLUDKBPHEH-TXEJJXNPSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)C1 ZINC001601572647 1017862955 /nfs/dbraw/zinc/86/29/55/1017862955.db2.gz QHHBTKIFVPBQAT-IZLWQMGWSA-N -1 0 319.317 -0.063 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2cnccn2)C1 ZINC001601574714 1017863281 /nfs/dbraw/zinc/86/32/81/1017863281.db2.gz ZBUIXAVMSMAJOM-VLEAKVRGSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2C[C@@H](NC(=O)C3=COCCO3)C2)n1 ZINC001601578206 1017863443 /nfs/dbraw/zinc/86/34/43/1017863443.db2.gz VODYVFSHFZIADH-KYZUINATSA-N -1 0 320.305 -0.456 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC001601581212 1017863977 /nfs/dbraw/zinc/86/39/77/1017863977.db2.gz QTGSIOMCVBJRLF-UHFFFAOYSA-N -1 0 322.256 -0.535 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001601579149 1017863824 /nfs/dbraw/zinc/86/38/24/1017863824.db2.gz WEBWIWWWWLIKFB-KKFJDGPESA-N -1 0 317.363 -0.704 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001601579086 1017863889 /nfs/dbraw/zinc/86/38/89/1017863889.db2.gz UEKUQGINUKREFZ-CVZFUDJDSA-N -1 0 316.313 -0.009 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC001601602965 1017863897 /nfs/dbraw/zinc/86/38/97/1017863897.db2.gz WNOHDVDSUWMPRV-QMMMGPOBSA-N -1 0 304.661 -0.021 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccn1 ZINC001601578598 1017863939 /nfs/dbraw/zinc/86/39/39/1017863939.db2.gz QPVIXALSIZNQHC-OGBGREFGSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)c2ccnnc2)C1 ZINC001601578214 1017864037 /nfs/dbraw/zinc/86/40/37/1017864037.db2.gz VRGBKEQLZJKTSH-GWOFURMSSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnco1 ZINC001601579476 1017864053 /nfs/dbraw/zinc/86/40/53/1017864053.db2.gz WQLGJWAHTQHNJD-CDDJKKQXSA-N -1 0 305.290 -0.418 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NN2CCCNC2=O)cc1 ZINC001601597227 1017864068 /nfs/dbraw/zinc/86/40/68/1017864068.db2.gz QSGFBGVCXVTACX-UHFFFAOYSA-N -1 0 306.278 -0.230 20 0 DBADRM O=C([O-])c1csc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC001601584353 1017864100 /nfs/dbraw/zinc/86/41/00/1017864100.db2.gz CTNYOVHPUZPPFE-RNFRBKRXSA-N -1 0 320.348 -0.274 20 0 DBADRM O=C([O-])c1ccc(NC(=O)c2cnn(C[C@H](O)CO)c2)cc1O ZINC001601599723 1017864123 /nfs/dbraw/zinc/86/41/23/1017864123.db2.gz WVDOGVFEIKHWTE-JTQLQIEISA-N -1 0 321.289 -0.108 20 0 DBADRM O=C([O-])C1(NC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1 ZINC001601594016 1017864192 /nfs/dbraw/zinc/86/41/92/1017864192.db2.gz KADMRFZZRLLLTL-UHFFFAOYSA-N -1 0 316.277 -0.666 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001601577972 1017864281 /nfs/dbraw/zinc/86/42/81/1017864281.db2.gz SNCGPQMIEOGTNY-ZYUZMQFOSA-N -1 0 306.322 -0.245 20 0 DBADRM O=C([O-])[C@H](CNS(=O)(=O)C[C@@H]1CCCO1)[C@H]1CCOC1 ZINC001601652915 1017865039 /nfs/dbraw/zinc/86/50/39/1017865039.db2.gz GRWARRQVKIYUGC-GARJFASQSA-N -1 0 307.368 -0.178 20 0 DBADRM O=C([O-])[C@H](CCF)NC(=O)C1(n2cnnn2)CCOCC1 ZINC001601645704 1017865044 /nfs/dbraw/zinc/86/50/44/1017865044.db2.gz UYGIBFCZQBLIKW-QMMMGPOBSA-N -1 0 301.278 -0.892 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NS(=O)(=O)C[C@@H]1CCCOC1 ZINC001601645118 1017865243 /nfs/dbraw/zinc/86/52/43/1017865243.db2.gz LAXPRLOFMBJGPJ-ZJUUUORDSA-N -1 0 323.367 -0.451 20 0 DBADRM O=C([O-])[C@H](CNS(=O)(=O)CCn1cccn1)[C@@H]1CCOC1 ZINC001601654231 1017865322 /nfs/dbraw/zinc/86/53/22/1017865322.db2.gz ZNWJVKRWFGYMGG-GHMZBOCLSA-N -1 0 317.367 -0.460 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)C1(CO)CCOCC1 ZINC001601645749 1017865574 /nfs/dbraw/zinc/86/55/74/1017865574.db2.gz OPOLTUUMZQBGKH-JTQLQIEISA-N -1 0 317.338 -0.502 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC001601656314 1017865743 /nfs/dbraw/zinc/86/57/43/1017865743.db2.gz CWJIBIBVMPBQJG-VHSXEESVSA-N -1 0 316.379 -0.360 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001601656370 1017865806 /nfs/dbraw/zinc/86/58/06/1017865806.db2.gz GTDPIOZDCNHXJU-CHWSQXEVSA-N -1 0 308.334 -0.551 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001601657262 1017866441 /nfs/dbraw/zinc/86/64/41/1017866441.db2.gz WPVAZGRZHRKPMR-YFKPBYRVSA-N -1 0 321.698 -0.400 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@H]1Cc2ccccc2O1 ZINC001601663255 1017866722 /nfs/dbraw/zinc/86/67/22/1017866722.db2.gz RJECRMHGMDOJSD-ZYHUDNBSSA-N -1 0 302.290 -0.149 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001601664174 1017866762 /nfs/dbraw/zinc/86/67/62/1017866762.db2.gz ZXQNNKFTBXGAKD-MNOVXSKESA-N -1 0 321.337 -0.752 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)[C@H]2CCCc3nn[nH]c32)CC1 ZINC001601682584 1017867430 /nfs/dbraw/zinc/86/74/30/1017867430.db2.gz KHTVUZCOHHSTIP-CABZTGNLSA-N -1 0 308.338 -0.091 20 0 DBADRM O=C([O-])[C@H](O)C1CC[NH+](Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC001601684327 1017867469 /nfs/dbraw/zinc/86/74/69/1017867469.db2.gz JMCFBZISBOWWRU-CYBMUJFWSA-N -1 0 306.322 -0.320 20 0 DBADRM O=C([O-])[C@@]1(CNS(=O)(=O)CCn2cccn2)CCOC1 ZINC001601711390 1017867851 /nfs/dbraw/zinc/86/78/51/1017867851.db2.gz QZYVYXBXAUYMOA-LLVKDONJSA-N -1 0 303.340 -0.706 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H](CO)[C@H]2CCOC2)CC1 ZINC001601713919 1017868484 /nfs/dbraw/zinc/86/84/84/1017868484.db2.gz SARKRGWVALNBKD-UWVGGRQHSA-N -1 0 307.368 -0.584 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H](CO)[C@@H]2CCOC2)CC1 ZINC001601713921 1017868512 /nfs/dbraw/zinc/86/85/12/1017868512.db2.gz SARKRGWVALNBKD-ZJUUUORDSA-N -1 0 307.368 -0.584 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCO[C@H]2CCOC2)CCC1 ZINC001601716214 1017868563 /nfs/dbraw/zinc/86/85/63/1017868563.db2.gz NGNXCLQFGONANO-JTQLQIEISA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(c2nnc(CO)n2C[C@@H]2CCOC2)C1 ZINC001601721061 1017868709 /nfs/dbraw/zinc/86/87/09/1017868709.db2.gz VPZQSMMSFANNQP-TVQRCGJNSA-N -1 0 314.317 -0.190 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCOCCCO)CCCC1 ZINC001601715694 1017868758 /nfs/dbraw/zinc/86/87/58/1017868758.db2.gz AKOVITCVNLFFKW-UHFFFAOYSA-N -1 0 309.384 -0.050 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCO[C@]3(CCOC3)C2)CC1 ZINC001601712066 1017868785 /nfs/dbraw/zinc/86/87/85/1017868785.db2.gz PGGLDQQVSYIGQY-GFCCVEGCSA-N -1 0 305.352 -0.328 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)CCC1 ZINC001601713844 1017868859 /nfs/dbraw/zinc/86/88/59/1017868859.db2.gz ZLSMWYADHQPELE-UWVGGRQHSA-N -1 0 307.368 -0.896 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCn2cnnc2)CCCC1 ZINC001601716552 1017868941 /nfs/dbraw/zinc/86/89/41/1017868941.db2.gz VBCGZAHATJGUCS-UHFFFAOYSA-N -1 0 302.356 -0.158 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCc2nnc3n2CCOC3)CC1 ZINC001601715693 1017868950 /nfs/dbraw/zinc/86/89/50/1017868950.db2.gz ANDKYFKVZBJWFR-UHFFFAOYSA-N -1 0 316.339 -0.908 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCCOCCO)CCCC1 ZINC001601716593 1017869127 /nfs/dbraw/zinc/86/91/27/1017869127.db2.gz WWVDSNOQNBZFEW-UHFFFAOYSA-N -1 0 309.384 -0.050 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)CCC2CCOCC2)C1 ZINC001601723213 1017869580 /nfs/dbraw/zinc/86/95/80/1017869580.db2.gz CYXVGCSJBZZJAY-LBPRGKRZSA-N -1 0 307.368 -0.346 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)CCC[C@@H]2CCOC2)C1 ZINC001601723662 1017870078 /nfs/dbraw/zinc/87/00/78/1017870078.db2.gz STPRXALUAJPSPP-ZYHUDNBSSA-N -1 0 307.368 -0.346 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@@]2(O)CCc3ccccc3C2)C1 ZINC001601722806 1017870193 /nfs/dbraw/zinc/87/01/93/1017870193.db2.gz XJZZZHXVAUHJAH-CVEARBPZSA-N -1 0 305.330 -0.046 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001601723318 1017870263 /nfs/dbraw/zinc/87/02/63/1017870263.db2.gz HCVKYRDBSRAXCH-STQMWFEESA-N -1 0 318.395 -0.677 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)CCn2cccn2)CC(CO)C1 ZINC001601721888 1017870397 /nfs/dbraw/zinc/87/03/97/1017870397.db2.gz FHXIKQCSBCQWJT-UHFFFAOYSA-N -1 0 303.340 -0.972 20 0 DBADRM O=C([O-])C12CC(C(=O)N[C@H](CO)[C@H](O)c3cccnc3)(C1)C2 ZINC001601728109 1017870405 /nfs/dbraw/zinc/87/04/05/1017870405.db2.gz PXIZZSIATZYHBY-ASNHAOSHSA-N -1 0 306.318 -0.153 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)CCCN2CCOCC2)CCC1 ZINC001601722098 1017870419 /nfs/dbraw/zinc/87/04/19/1017870419.db2.gz SJJLCKLCLSXSLZ-UHFFFAOYSA-N -1 0 306.384 -0.365 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CC(N3CCCC3=O)C2)C1 ZINC001601736867 1017870950 /nfs/dbraw/zinc/87/09/50/1017870950.db2.gz LOIMGWGXDONKGL-SNVBAGLBSA-N -1 0 321.333 -0.891 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001601734515 1017871117 /nfs/dbraw/zinc/87/11/17/1017871117.db2.gz MREJGTLOVNQLBR-JTQLQIEISA-N -1 0 307.310 -0.532 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CC([C@H]3CCOC3)C2)C1 ZINC001601735669 1017871222 /nfs/dbraw/zinc/87/12/22/1017871222.db2.gz BCVBWTCLZXDJQQ-JQWIXIFHSA-N -1 0 308.334 -0.229 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC001601735555 1017871398 /nfs/dbraw/zinc/87/13/98/1017871398.db2.gz SCYYQDRUKUPSAX-RKDXNWHRSA-N -1 0 308.294 -0.895 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)C(=O)N[C@@H]3CC34CCC4)C2)C1 ZINC001601740702 1017872064 /nfs/dbraw/zinc/87/20/64/1017872064.db2.gz WTJPQIXXVUZVNS-MEBBXXQBSA-N -1 0 321.333 -0.123 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)C(=O)N3CC[C@H](F)C3)C2)C1 ZINC001601739966 1017872135 /nfs/dbraw/zinc/87/21/35/1017872135.db2.gz RQPMQCSJARIKJJ-ISVAXAHUSA-N -1 0 313.285 -0.611 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)Cn1ncc2cccnc21 ZINC001601751114 1017872195 /nfs/dbraw/zinc/87/21/95/1017872195.db2.gz KQAXUNPYZQSNDE-PWSUYJOCSA-N -1 0 304.306 -0.132 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)COc1ccc(CO)cc1 ZINC001601750491 1017872201 /nfs/dbraw/zinc/87/22/01/1017872201.db2.gz HRTDIYHZRAKNAN-JSGCOSHPSA-N -1 0 309.318 -0.006 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1S(=O)(=O)CC1CCOCC1 ZINC001601753578 1017872315 /nfs/dbraw/zinc/87/23/15/1017872315.db2.gz MDNWUVZLQXWRRY-WDEREUQCSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)C1CN(CC(F)(F)F)C1 ZINC001601749935 1017872461 /nfs/dbraw/zinc/87/24/61/1017872461.db2.gz GEVVRKHXWXDEOC-DTWKUNHWSA-N -1 0 310.272 -0.083 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)NCC(=O)N3CCCC3)C2)C1 ZINC001601745168 1017872620 /nfs/dbraw/zinc/87/26/20/1017872620.db2.gz LYBIOSHUHOAWOS-CQSZACIVSA-N -1 0 324.337 -0.376 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1cccc(-n2cnnn2)c1 ZINC001601758569 1017873042 /nfs/dbraw/zinc/87/30/42/1017873042.db2.gz RFESUKROLPTGLJ-NWDGAFQWSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1Cc1nnn(CC(F)(F)F)n1 ZINC001601754313 1017873285 /nfs/dbraw/zinc/87/32/85/1017873285.db2.gz NPLNYVXJTXXDNG-XPUUQOCRSA-N -1 0 309.248 -0.355 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001601758375 1017873308 /nfs/dbraw/zinc/87/33/08/1017873308.db2.gz PSRRTFVMBAEDJW-RKDXNWHRSA-N -1 0 306.278 -0.286 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)N[C@H]2CCC3(C2)OCCO3)C1 ZINC001601762856 1017874400 /nfs/dbraw/zinc/87/44/00/1017874400.db2.gz NCYBTBMKZDZYKS-OUAUKWLOSA-N -1 0 314.338 -0.241 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)NCCS(=O)(=O)C2CC2)C1 ZINC001601764822 1017874413 /nfs/dbraw/zinc/87/44/13/1017874413.db2.gz UYZTUBVOGJXMKY-DTWKUNHWSA-N -1 0 320.367 -0.959 20 0 DBADRM O=C([O-])C1CC(NC(=O)N(CCO)CCN2CCOCC2)C1 ZINC001601760554 1017874558 /nfs/dbraw/zinc/87/45/58/1017874558.db2.gz LBKDZHRXKFROEB-UHFFFAOYSA-N -1 0 315.370 -0.814 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CC(C3CCCC3)C2)C1 ZINC001601760250 1017874799 /nfs/dbraw/zinc/87/47/99/1017874799.db2.gz IWCABTRRUFKCAM-DGCLKSJQSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)Cn2ncc3cccnc32)C1 ZINC001601763216 1017875149 /nfs/dbraw/zinc/87/51/49/1017875149.db2.gz OHEHAEJXJKQVDU-QWRGUYRKSA-N -1 0 304.306 -0.275 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001601765346 1017875344 /nfs/dbraw/zinc/87/53/44/1017875344.db2.gz KKLSHBKMXYUFPT-WPRPVWTQSA-N -1 0 317.363 -0.895 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)NCc2cnn(CCF)c2)C1 ZINC001601766217 1017875444 /nfs/dbraw/zinc/87/54/44/1017875444.db2.gz VSYQUHYZRQFTKB-WDEREUQCSA-N -1 0 314.317 -0.170 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2ccc3[nH]c(CO)nc3c2)C1 ZINC001601766270 1017875861 /nfs/dbraw/zinc/87/58/61/1017875861.db2.gz SCICUKXYTGTLHR-VHSXEESVSA-N -1 0 319.317 -0.037 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001601766863 1017875879 /nfs/dbraw/zinc/87/58/79/1017875879.db2.gz VFFCFDZSXQCSFC-SRVKXCTJSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC001601768561 1017875922 /nfs/dbraw/zinc/87/59/22/1017875922.db2.gz JOSKKZYZACYQPQ-NZFPMDFQSA-N -1 0 305.352 -0.597 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001601767473 1017876076 /nfs/dbraw/zinc/87/60/76/1017876076.db2.gz FPTNRVZVHLCEMU-JQWIXIFHSA-N -1 0 317.305 -0.430 20 0 DBADRM CCC(=O)NC[C@@H](CC)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001498862711 1017876154 /nfs/dbraw/zinc/87/61/54/1017876154.db2.gz YRTCXXMMFBNTOQ-SECBINFHSA-N -1 0 320.353 -0.508 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001601765902 1017876181 /nfs/dbraw/zinc/87/61/81/1017876181.db2.gz AQACMDLEUXDNCH-GHMZBOCLSA-N -1 0 317.305 -0.430 20 0 DBADRM CCC(=O)NC[C@H](CC)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001498862712 1017876444 /nfs/dbraw/zinc/87/64/44/1017876444.db2.gz YRTCXXMMFBNTOQ-VIFPVBQESA-N -1 0 320.353 -0.508 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1cnon1)C2 ZINC001601775317 1017876785 /nfs/dbraw/zinc/87/67/85/1017876785.db2.gz AQMOEZPCURBZPV-BDAKNGLRSA-N -1 0 320.305 -0.535 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(Cc2cn(C[C@H]3CCCO3)nn2)C1 ZINC001601770274 1017876826 /nfs/dbraw/zinc/87/68/26/1017876826.db2.gz WAIUMZNTVXNAHM-KGYLQXTDSA-N -1 0 310.354 -0.276 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC1 ZINC001601775963 1017876974 /nfs/dbraw/zinc/87/69/74/1017876974.db2.gz PINBFKXCCGZCTO-XQHKEYJVSA-N -1 0 321.377 -0.385 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CCO)CCNCc1nncs1 ZINC001601775714 1017877055 /nfs/dbraw/zinc/87/70/55/1017877055.db2.gz JQAGZJUGJNUSRH-DTWKUNHWSA-N -1 0 314.367 -0.831 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)c1nc[nH]n1)C2 ZINC001601775460 1017877072 /nfs/dbraw/zinc/87/70/72/1017877072.db2.gz DQFKPUMISVTFCN-DTWKUNHWSA-N -1 0 319.321 -0.800 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(Cc2nnn(CC(F)(F)F)n2)C1 ZINC001601770587 1017877096 /nfs/dbraw/zinc/87/70/96/1017877096.db2.gz XTISIXWFUMVDMU-RNFRBKRXSA-N -1 0 309.248 -0.497 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(Cc2nnn(CC(F)(F)F)n2)C1 ZINC001601770584 1017877312 /nfs/dbraw/zinc/87/73/12/1017877312.db2.gz XTISIXWFUMVDMU-BQBZGAKWSA-N -1 0 309.248 -0.497 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001601776996 1017877954 /nfs/dbraw/zinc/87/79/54/1017877954.db2.gz BFWUEWXXNZEAQE-QWRGUYRKSA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001601776998 1017877998 /nfs/dbraw/zinc/87/79/98/1017877998.db2.gz BFWUEWXXNZEAQE-WDEREUQCSA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)COC2CCCC2)C1 ZINC001601776789 1017878008 /nfs/dbraw/zinc/87/80/08/1017878008.db2.gz CGQMBVAIQNJFFQ-RYUDHWBXSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C(F)F)C[C@@H]2C1 ZINC001601776684 1017878020 /nfs/dbraw/zinc/87/80/20/1017878020.db2.gz DFNZHYOEDXTBTA-KZVJFYERSA-N -1 0 302.277 -0.111 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001601776577 1017878074 /nfs/dbraw/zinc/87/80/74/1017878074.db2.gz BBVBRXSMADHXMG-IUCAKERBSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(Cc2nnc(C3CC3)o2)C1 ZINC001601776749 1017878279 /nfs/dbraw/zinc/87/82/79/1017878279.db2.gz BXXHBRNJIBPAGP-VHSXEESVSA-N -1 0 306.322 -0.032 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001601776650 1017878392 /nfs/dbraw/zinc/87/83/92/1017878392.db2.gz CUJYPQOCLFKZQP-ZJUUUORDSA-N -1 0 320.305 -0.813 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001601776260 1017878396 /nfs/dbraw/zinc/87/83/96/1017878396.db2.gz XCOOKIHCAVKYNA-YBXAARCKSA-N -1 0 322.361 -0.557 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(Cc2nnc(C3CC3)o2)C1 ZINC001601776747 1017878556 /nfs/dbraw/zinc/87/85/56/1017878556.db2.gz BXXHBRNJIBPAGP-NXEZZACHSA-N -1 0 306.322 -0.032 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCOC2(CN(C(=O)C3CC3)C2)C1 ZINC001601776678 1017878589 /nfs/dbraw/zinc/87/85/89/1017878589.db2.gz DDXFECBSPDSTGI-WDEREUQCSA-N -1 0 308.334 -0.443 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2csnn2)CC1 ZINC001601777539 1017878866 /nfs/dbraw/zinc/87/88/66/1017878866.db2.gz FWDIGZWDZZKNDG-RKDXNWHRSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2ccncn2)CC1 ZINC001601777183 1017878939 /nfs/dbraw/zinc/87/89/39/1017878939.db2.gz DMUAURSOPBQIRF-GHMZBOCLSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNCc1cn(CC2CC2)nn1 ZINC001601777482 1017879257 /nfs/dbraw/zinc/87/92/57/1017879257.db2.gz DRRXLDJZUATGJZ-NWDGAFQWSA-N -1 0 307.354 -0.385 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNCc1cn(CC2CC2)nn1 ZINC001601777480 1017879470 /nfs/dbraw/zinc/87/94/70/1017879470.db2.gz DRRXLDJZUATGJZ-NEPJUHHUSA-N -1 0 307.354 -0.385 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2csnn2)C1 ZINC001601777758 1017879521 /nfs/dbraw/zinc/87/95/21/1017879521.db2.gz FLMUYYKWZYWXMZ-YUMQZZPRSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2csnn2)C1 ZINC001601777756 1017879729 /nfs/dbraw/zinc/87/97/29/1017879729.db2.gz FLMUYYKWZYWXMZ-JGVFFNPUSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001601777829 1017879861 /nfs/dbraw/zinc/87/98/61/1017879861.db2.gz ARPWDIMHTNDMRN-FNCVBFRFSA-N -1 0 309.326 -0.785 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001601779037 1017880071 /nfs/dbraw/zinc/88/00/71/1017880071.db2.gz KPNBRMVYHNGGTC-KVSVUVNWSA-N -1 0 322.361 -0.293 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2n[nH]cc2F)CC1 ZINC001601779477 1017880260 /nfs/dbraw/zinc/88/02/60/1017880260.db2.gz LVJWIZNKKYZERV-IUCAKERBSA-N -1 0 324.312 -0.010 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001601779034 1017880407 /nfs/dbraw/zinc/88/04/07/1017880407.db2.gz KPNBRMVYHNGGTC-FHUSYTEZSA-N -1 0 322.361 -0.293 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1=CCN(C(=O)c2nc[nH]n2)CC1 ZINC001601778590 1017880420 /nfs/dbraw/zinc/88/04/20/1017880420.db2.gz JOVBGLLNTUOWRL-NXEZZACHSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2cccnc2)C1 ZINC001601780021 1017880510 /nfs/dbraw/zinc/88/05/10/1017880510.db2.gz KOLFHEDCRNCMTR-NEPJUHHUSA-N -1 0 303.318 -0.010 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC/C=C/CNc1nccn2nnnc12 ZINC001601779966 1017880518 /nfs/dbraw/zinc/88/05/18/1017880518.db2.gz KHZUDPMCRZUWPG-NPIHWTNLSA-N -1 0 317.309 -0.676 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001601779158 1017880641 /nfs/dbraw/zinc/88/06/41/1017880641.db2.gz ONMPCBWUKGQJBU-OBPIAQAESA-N -1 0 322.361 -0.340 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2=O)CC1 ZINC001601778778 1017880663 /nfs/dbraw/zinc/88/06/63/1017880663.db2.gz MSBHEZCJEXGYCR-WDEREUQCSA-N -1 0 323.349 -1.000 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC/C=C\CNc1nccn2nnnc12 ZINC001601779970 1017880681 /nfs/dbraw/zinc/88/06/81/1017880681.db2.gz KHZUDPMCRZUWPG-WDESOFOKSA-N -1 0 317.309 -0.676 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2n[nH]cc2F)CC1 ZINC001601779475 1017880795 /nfs/dbraw/zinc/88/07/95/1017880795.db2.gz LVJWIZNKKYZERV-DTWKUNHWSA-N -1 0 324.312 -0.010 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2cncnc2)CC1 ZINC001601779077 1017880833 /nfs/dbraw/zinc/88/08/33/1017880833.db2.gz LCVWLZIWGQDYKY-RYUDHWBXSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2n[nH]cc2F)CC1 ZINC001601779472 1017881016 /nfs/dbraw/zinc/88/10/16/1017881016.db2.gz LVJWIZNKKYZERV-BDAKNGLRSA-N -1 0 324.312 -0.010 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)CC2(O)CCC2)C1 ZINC001601780339 1017881845 /nfs/dbraw/zinc/88/18/45/1017881845.db2.gz KWPJLBWDJQGQGY-GHMZBOCLSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1=CCN(C(=O)c2cn[nH]n2)CC1 ZINC001601780966 1017882063 /nfs/dbraw/zinc/88/20/63/1017882063.db2.gz QOCGINFMCXCIEZ-ZJUUUORDSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(CC(=O)N2CCCCC2)C1 ZINC001601780372 1017882180 /nfs/dbraw/zinc/88/21/80/1017882180.db2.gz KZCSYKPGSSQFKI-STQMWFEESA-N -1 0 323.393 -0.232 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)Cc2ccon2)CC1 ZINC001601782782 1017882355 /nfs/dbraw/zinc/88/23/55/1017882355.db2.gz YNBDQGKDLSDNEZ-VXGBXAGGSA-N -1 0 321.333 -0.001 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001601783313 1017882449 /nfs/dbraw/zinc/88/24/49/1017882449.db2.gz WULWMXMTRVEMBN-RKDXNWHRSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)CCc2c[nH]cn2)C1 ZINC001601782370 1017882518 /nfs/dbraw/zinc/88/25/18/1017882518.db2.gz QOXJSMPTYNPYIX-RYUDHWBXSA-N -1 0 320.349 -0.362 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(O)CCN(C(=O)C2CCC2)CC1 ZINC001601782367 1017882695 /nfs/dbraw/zinc/88/26/95/1017882695.db2.gz UWMUMRKMLGPIOR-RYUDHWBXSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2cnsn2)C1 ZINC001601783111 1017883087 /nfs/dbraw/zinc/88/30/87/1017883087.db2.gz SROFGKGMQGPJME-HTQZYQBOSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2cnsn2)C1 ZINC001601783114 1017882779 /nfs/dbraw/zinc/88/27/79/1017882779.db2.gz SROFGKGMQGPJME-SFYZADRCSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)Cc2cnoc2)C1 ZINC001601783812 1017883012 /nfs/dbraw/zinc/88/30/12/1017883012.db2.gz UHPMXJVXVYRIEV-QWRGUYRKSA-N -1 0 307.306 -0.488 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1nc(CNCCF)cc(=O)[nH]1 ZINC001601783218 1017883067 /nfs/dbraw/zinc/88/30/67/1017883067.db2.gz SNKJAZYPQXRYJT-DTWKUNHWSA-N -1 0 312.301 -0.422 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(CC(=O)N2CCCCC2)C1 ZINC001601781728 1017883093 /nfs/dbraw/zinc/88/30/93/1017883093.db2.gz STUTZCGRXQHWDN-NEPJUHHUSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2ncccc2O)C1 ZINC001601781722 1017883105 /nfs/dbraw/zinc/88/31/05/1017883105.db2.gz STDFZIJVHQLOKT-IUCAKERBSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001601785585 1017883647 /nfs/dbraw/zinc/88/36/47/1017883647.db2.gz YTQFRVGRUXMILD-FHUSYTEZSA-N -1 0 304.350 -0.350 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001601785591 1017883773 /nfs/dbraw/zinc/88/37/73/1017883773.db2.gz YTQFRVGRUXMILD-OBPIAQAESA-N -1 0 304.350 -0.350 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=COCCO3)C[C@H]21 ZINC001601784028 1017883860 /nfs/dbraw/zinc/88/38/60/1017883860.db2.gz UPVKPTHXAGRIBC-OMHSBUABSA-N -1 0 322.317 -0.832 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001601784370 1017883922 /nfs/dbraw/zinc/88/39/22/1017883922.db2.gz VRMVQMMQGVIEKN-JCIQBVFBSA-N -1 0 308.334 -0.826 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2cnsn2)CC1 ZINC001601783941 1017883938 /nfs/dbraw/zinc/88/39/38/1017883938.db2.gz XSBDGJISKNRDDO-RKDXNWHRSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2c[nH]nc2C2CC2)C1 ZINC001601784480 1017884439 /nfs/dbraw/zinc/88/44/39/1017884439.db2.gz YOWNKHXKXODODW-UWVGGRQHSA-N -1 0 318.333 -0.052 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cccnn3)C[C@H]21 ZINC001601783853 1017884452 /nfs/dbraw/zinc/88/44/52/1017884452.db2.gz TZFYIOVTCBXXSF-ULHKAFAUSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC001601813142 1017884649 /nfs/dbraw/zinc/88/46/49/1017884649.db2.gz BQLIBANLSFPVGE-ZDCRXTMVSA-N -1 0 307.368 -0.301 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC3(C2)C[C@H](O)CNC3=O)C1 ZINC001601801933 1017885083 /nfs/dbraw/zinc/88/50/83/1017885083.db2.gz SVDOPGCAKFZUFM-AXFHLTTASA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@@]1(O)CCOC1 ZINC001601810098 1017885178 /nfs/dbraw/zinc/88/51/78/1017885178.db2.gz KKFOMMOKNIOWBS-SCVCMEIPSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCc3ncncc3C2)CC1 ZINC001601820830 1017885811 /nfs/dbraw/zinc/88/58/11/1017885811.db2.gz TWUSYUTWXCLHNW-UHFFFAOYSA-N -1 0 318.333 -0.316 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC[C@@](F)(CO)C2)C1=O ZINC001601819053 1017885990 /nfs/dbraw/zinc/88/59/90/1017885990.db2.gz RTTCTYAKVOAUQF-ZANVPECISA-N -1 0 302.302 -0.758 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C3OCCO3)C2)C1 ZINC001601819773 1017886032 /nfs/dbraw/zinc/88/60/32/1017886032.db2.gz ILQFLEOGDIVFBV-NXEZZACHSA-N -1 0 312.322 -0.859 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)Cn2ncnn2)[C@@H]([C@@H]2CCCO2)C1 ZINC001601821788 1017886370 /nfs/dbraw/zinc/88/63/70/1017886370.db2.gz JVAZAZQQUCMENZ-MXWKQRLJSA-N -1 0 309.326 -0.456 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001601820084 1017886595 /nfs/dbraw/zinc/88/65/95/1017886595.db2.gz DSSHMFVCHRHPEW-HTQZYQBOSA-N -1 0 324.255 -0.291 20 0 DBADRM O=C([O-])C1CCN(C(=O)COC(=O)[C@@H](O)c2cccnc2)CC1 ZINC001601823258 1017886961 /nfs/dbraw/zinc/88/69/61/1017886961.db2.gz XAOKKUGKSJZHII-ZDUSSCGKSA-N -1 0 322.317 -0.019 20 0 DBADRM O=C([O-])[C@@H]1CCN1C(=O)CNS(=O)(=O)c1ccccc1F ZINC001601834516 1017887003 /nfs/dbraw/zinc/88/70/03/1017887003.db2.gz OLQOQPJFMWXDSD-VIFPVBQESA-N -1 0 316.310 -0.211 20 0 DBADRM O=C([O-])[C@H]1CCN1C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001601835132 1017887240 /nfs/dbraw/zinc/88/72/40/1017887240.db2.gz WVTDKWDPHXBNTA-SCZZXKLOSA-N -1 0 311.319 -0.598 20 0 DBADRM O=C([O-])[C@H]1CCS(=O)(=O)N1CC(=O)N1CCCCCC1 ZINC001601837584 1017887615 /nfs/dbraw/zinc/88/76/15/1017887615.db2.gz IJDMHLVNPFUODZ-SNVBAGLBSA-N -1 0 304.368 -0.122 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CCO1 ZINC001601844466 1017888109 /nfs/dbraw/zinc/88/81/09/1017888109.db2.gz ILINSUINWUQICH-RXMQYKEDSA-N -1 0 323.231 -0.182 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCC2(O)CCOCC2)CCO1 ZINC001601844993 1017888356 /nfs/dbraw/zinc/88/83/56/1017888356.db2.gz FEDHQEHKCRYBAV-SNVBAGLBSA-N -1 0 302.327 -0.587 20 0 DBADRM O=C([O-])[C@H]1CN(Cn2ncn(-c3ccccc3)c2=O)CCO1 ZINC001601848890 1017888522 /nfs/dbraw/zinc/88/85/22/1017888522.db2.gz OSSRLOWXCAGZLI-GFCCVEGCSA-N -1 0 304.306 -0.223 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2ncc3c(n2)CCOC3)CCO1 ZINC001601845211 1017888578 /nfs/dbraw/zinc/88/85/78/1017888578.db2.gz WHUKFWDNOPYHKK-NSHDSACASA-N -1 0 322.321 -0.456 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N(CC[C@]3(O)CCOC3)C(=O)[C@@H]2C1 ZINC001601842962 1017888588 /nfs/dbraw/zinc/88/85/88/1017888588.db2.gz QSALCLMSZRGBMH-BFVZDQMLSA-N -1 0 312.322 -0.345 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2[C@@H]2CO[C@@H](C3CC3)C2)CCO1 ZINC001601849654 1017888748 /nfs/dbraw/zinc/88/87/48/1017888748.db2.gz JNUTYMVTMPTBFE-AXFHLTTASA-N -1 0 309.326 -0.297 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2CCOCC(F)F)CCO1 ZINC001601849263 1017888919 /nfs/dbraw/zinc/88/89/19/1017888919.db2.gz FMBFBYGPNHZWOA-SSDOTTSWSA-N -1 0 307.257 -0.755 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001601852132 1017889382 /nfs/dbraw/zinc/88/93/82/1017889382.db2.gz XITABEDVXDFKBX-NXEZZACHSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)CCOCC1CCC1 ZINC001601853709 1017889696 /nfs/dbraw/zinc/88/96/96/1017889696.db2.gz LDPSQEMPSXZMMV-LLVKDONJSA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1cc(N2CCOCC2)ncn1 ZINC001601853043 1017889999 /nfs/dbraw/zinc/88/99/99/1017889999.db2.gz SBOUZBLUBFSESB-NSHDSACASA-N -1 0 322.321 -0.761 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(Cl)nn1 ZINC001601854123 1017890011 /nfs/dbraw/zinc/89/00/11/1017890011.db2.gz PSVJVZIWMSUPHP-SSDOTTSWSA-N -1 0 319.726 -0.546 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC001601853340 1017890031 /nfs/dbraw/zinc/89/00/31/1017890031.db2.gz WCTFIERTLREDIG-XHDPSFHLSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCc1cn[nH]c1 ZINC001601854233 1017890079 /nfs/dbraw/zinc/89/00/79/1017890079.db2.gz XFEVVJFTKNKDTA-SECBINFHSA-N -1 0 301.324 -0.948 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CCOC1CCOCC1 ZINC001601854566 1017890533 /nfs/dbraw/zinc/89/05/33/1017890533.db2.gz PCQCIVMFGBIALF-NSHDSACASA-N -1 0 307.368 -0.634 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc2nc[nH]c21 ZINC001601854240 1017890682 /nfs/dbraw/zinc/89/06/82/1017890682.db2.gz XNEUGAYLJONJOU-SNVBAGLBSA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])C[C@H](NC(=O)CN1C(=O)CNC1=O)c1cccs1 ZINC001601901224 1017890823 /nfs/dbraw/zinc/89/08/23/1017890823.db2.gz MYZBCUCXSNMGMU-ZETCQYMHSA-N -1 0 311.319 -0.068 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)c1nc2n(n1)CCCN2)c1ccncc1 ZINC001601906850 1017890831 /nfs/dbraw/zinc/89/08/31/1017890831.db2.gz HGLNTPNMSYTAEQ-SNVBAGLBSA-N -1 0 316.321 -0.308 20 0 DBADRM O=C([O-])C[C@H](NC(=O)c1nc2n(n1)CCCN2)c1ccncc1 ZINC001601906849 1017890878 /nfs/dbraw/zinc/89/08/78/1017890878.db2.gz HGLNTPNMSYTAEQ-JTQLQIEISA-N -1 0 316.321 -0.308 20 0 DBADRM O=C([O-])/C=C\c1ccc(C(=O)NC[C@H](O)Cn2ccnn2)o1 ZINC001601877205 1017891023 /nfs/dbraw/zinc/89/10/23/1017891023.db2.gz WIUTURMESCDFQL-MDHMXLOGSA-N -1 0 306.278 -0.240 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)C(=O)N1CCN(C2CC2)CC1)C1CC1 ZINC001601891438 1017891031 /nfs/dbraw/zinc/89/10/31/1017891031.db2.gz KSGHFZXYQGYSCL-LBPRGKRZSA-N -1 0 323.393 -0.090 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)Cn1nc2n(c1=O)CCCC2)C1CC1 ZINC001601901850 1017891187 /nfs/dbraw/zinc/89/11/87/1017891187.db2.gz KAJQIEOQVSIXCL-SNVBAGLBSA-N -1 0 308.338 -0.249 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)CNC(=O)c1ncccc1O)C1CC1 ZINC001601900153 1017891195 /nfs/dbraw/zinc/89/11/95/1017891195.db2.gz FABHUPNSGRDJQR-SECBINFHSA-N -1 0 307.306 -0.114 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC001601908793 1017891683 /nfs/dbraw/zinc/89/16/83/1017891683.db2.gz KVCZXRLYNSPAMP-SECBINFHSA-N -1 0 310.310 -0.890 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)[C@H]1COCCN1CC(F)(F)F ZINC001601910888 1017892077 /nfs/dbraw/zinc/89/20/77/1017892077.db2.gz UKXGXMDGAORTJO-JGVFFNPUSA-N -1 0 314.260 -0.799 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Cc1ccc(-n2cnnc2)cc1 ZINC001601910499 1017892135 /nfs/dbraw/zinc/89/21/35/1017892135.db2.gz OVFDQNWZASRBCE-LBPRGKRZSA-N -1 0 304.306 -0.238 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)CCO2 ZINC001601909235 1017892173 /nfs/dbraw/zinc/89/21/73/1017892173.db2.gz PEBLWZPDNWDLLI-SNVBAGLBSA-N -1 0 308.290 -0.488 20 0 DBADRM O=C([O-])C[C@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)C1CCCC1 ZINC001601909004 1017892228 /nfs/dbraw/zinc/89/22/28/1017892228.db2.gz VKYFZCBLVQEENZ-HBNTYKKESA-N -1 0 307.368 -0.301 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC001601911943 1017892332 /nfs/dbraw/zinc/89/23/32/1017892332.db2.gz NUBQERAMAFXCAF-QMMMGPOBSA-N -1 0 321.289 -0.946 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC001601909448 1017892758 /nfs/dbraw/zinc/89/27/58/1017892758.db2.gz RBCXDUQPDYJQAE-UWVGGRQHSA-N -1 0 310.306 -0.420 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)CNC(=O)OCc1ccccc1 ZINC001601909349 1017892830 /nfs/dbraw/zinc/89/28/30/1017892830.db2.gz CXJNQZYDEIHCMO-LLVKDONJSA-N -1 0 310.306 -0.135 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)CCO2 ZINC001601909234 1017892850 /nfs/dbraw/zinc/89/28/50/1017892850.db2.gz PEBLWZPDNWDLLI-JTQLQIEISA-N -1 0 308.290 -0.488 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@]2(F)CCS(=O)(=O)C2)CCOCC1 ZINC001601925389 1017893345 /nfs/dbraw/zinc/89/33/45/1017893345.db2.gz MYNDXSSSIWERID-LBPRGKRZSA-N -1 0 323.342 -0.347 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)CC1 ZINC001601921338 1017893472 /nfs/dbraw/zinc/89/34/72/1017893472.db2.gz BKTADUKUARKNSE-ZMFHDSSTSA-N -1 0 307.393 -0.224 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)CCC(=O)N2CCOCC2)CCOC1 ZINC001601925749 1017893514 /nfs/dbraw/zinc/89/35/14/1017893514.db2.gz UUWTYIUNULSRSE-CQSZACIVSA-N -1 0 314.338 -0.625 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@@H]2CCc3nnnn3CC2)CCOCC1 ZINC001601926273 1017893557 /nfs/dbraw/zinc/89/35/57/1017893557.db2.gz HMKMGMNFSJJOHW-SNVBAGLBSA-N -1 0 323.353 -0.234 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)C[C@H]2CCCS2(=O)=O)CCOC1 ZINC001601925513 1017893585 /nfs/dbraw/zinc/89/35/85/1017893585.db2.gz SIFVUPVBDNGUED-BXKDBHETSA-N -1 0 305.352 -0.296 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)C(=O)Nc2cnsn2)CCOC1 ZINC001601924153 1017893696 /nfs/dbraw/zinc/89/36/96/1017893696.db2.gz FNLCGPOOARWFIR-JTQLQIEISA-N -1 0 300.296 -0.773 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)CNC(=O)c2cccc(O)c2)CCOC1 ZINC001601926735 1017893968 /nfs/dbraw/zinc/89/39/68/1017893968.db2.gz BWNYXLWUSBDGSE-HNNXBMFYSA-N -1 0 322.317 -0.128 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCS(=O)(=O)CC1 ZINC001601930667 1017894166 /nfs/dbraw/zinc/89/41/66/1017894166.db2.gz KPZRXIHOKZQCOZ-JZYVYDRUSA-N -1 0 317.363 -0.583 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)CCN2CCOC2=O)CCCOC1 ZINC001601927034 1017894237 /nfs/dbraw/zinc/89/42/37/1017894237.db2.gz YWEGTVPYZDDUJM-ZDUSSCGKSA-N -1 0 300.311 -0.031 20 0 DBADRM O=C([O-])CC1(NC(=O)COC(F)F)CCS(=O)(=O)CC1 ZINC001601927385 1017894273 /nfs/dbraw/zinc/89/42/73/1017894273.db2.gz JHXJAHKHIFGQFV-UHFFFAOYSA-N -1 0 315.294 -0.236 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CN1CCc2ccccc21 ZINC001601938641 1017895107 /nfs/dbraw/zinc/89/51/07/1017895107.db2.gz CUADYPZFCPXKTP-ZDUSSCGKSA-N -1 0 317.345 -0.149 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1n[nH]c2ccccc21 ZINC001601939326 1017895542 /nfs/dbraw/zinc/89/55/42/1017895542.db2.gz CLDZLLPAXWOMPC-SNVBAGLBSA-N -1 0 302.290 -0.022 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cccc2n[nH]nc21 ZINC001601942732 1017895993 /nfs/dbraw/zinc/89/59/93/1017895993.db2.gz WJIVQRXLGNDEFP-VIFPVBQESA-N -1 0 303.278 -0.627 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cc1ccc2c(c1)OCO2 ZINC001601940735 1017896015 /nfs/dbraw/zinc/89/60/15/1017896015.db2.gz VIIQCTSMBOBSMF-SNVBAGLBSA-N -1 0 320.301 -0.241 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001601950195 1017896121 /nfs/dbraw/zinc/89/61/21/1017896121.db2.gz KGPKEQMCPHCKEN-JTQLQIEISA-N -1 0 308.338 -0.153 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC001601952143 1017897324 /nfs/dbraw/zinc/89/73/24/1017897324.db2.gz POSHNLYYIJJFML-QCNOEVLYSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NC2CCSCC2)CCO1 ZINC001601957407 1017897403 /nfs/dbraw/zinc/89/74/03/1017897403.db2.gz FBZGEYQJHRGLER-JTQLQIEISA-N -1 0 316.379 -0.300 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001601951766 1017897651 /nfs/dbraw/zinc/89/76/51/1017897651.db2.gz JRXJAVLAPKHKFE-JQWIXIFHSA-N -1 0 309.366 -0.195 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)CCO1 ZINC001601957342 1017897948 /nfs/dbraw/zinc/89/79/48/1017897948.db2.gz CPURMCSIGIVTGD-WHOHXGKFSA-N -1 0 310.350 -0.007 20 0 DBADRM Cn1nccc1CCC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001498985082 1017898136 /nfs/dbraw/zinc/89/81/36/1017898136.db2.gz CQWXFNBNPRNICV-LLVKDONJSA-N -1 0 319.369 -0.433 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCCCOC(F)F)CCO1 ZINC001601959559 1017898260 /nfs/dbraw/zinc/89/82/60/1017898260.db2.gz XCUWBKKBCNUTES-MRVPVSSYSA-N -1 0 324.280 -0.566 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NCCO[C@@H]2CCOC2)CCO1 ZINC001601960338 1017898391 /nfs/dbraw/zinc/89/83/91/1017898391.db2.gz RLAKQXUSYOMKEZ-MNOVXSKESA-N -1 0 302.327 -0.323 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)Cc2nc3ncccn3n2)CCO1 ZINC001601960728 1017898580 /nfs/dbraw/zinc/89/85/80/1017898580.db2.gz VTDLPAMVDGUUGY-VIFPVBQESA-N -1 0 305.294 -0.631 20 0 DBADRM Cn1nccc1CCC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001498985084 1017898667 /nfs/dbraw/zinc/89/86/67/1017898667.db2.gz CQWXFNBNPRNICV-NSHDSACASA-N -1 0 319.369 -0.433 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1S(=O)(=O)N1CCCOCC1 ZINC001601967674 1017898902 /nfs/dbraw/zinc/89/89/02/1017898902.db2.gz MJWOAOSISQACMO-JTQLQIEISA-N -1 0 324.424 -0.154 20 0 DBADRM O=C([O-])C[C@H]1COCCN1Cn1nnc(-c2cscn2)n1 ZINC001601964259 1017899284 /nfs/dbraw/zinc/89/92/84/1017899284.db2.gz ABIYECCUESPGAG-QMMMGPOBSA-N -1 0 310.339 -0.070 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001601966517 1017899321 /nfs/dbraw/zinc/89/93/21/1017899321.db2.gz VAXGLORDQWMKGG-ZJUUUORDSA-N -1 0 303.336 -0.363 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)[C@H]1CCc2nnnn2CC1 ZINC001601964531 1017899379 /nfs/dbraw/zinc/89/93/79/1017899379.db2.gz BYSOJSIESOKRFX-UWVGGRQHSA-N -1 0 309.326 -0.672 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001601964772 1017899410 /nfs/dbraw/zinc/89/94/10/1017899410.db2.gz BAZPHKKLGKHGHY-WDEREUQCSA-N -1 0 324.337 -0.370 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1CN1CCSC1=O ZINC001601967826 1017899496 /nfs/dbraw/zinc/89/94/96/1017899496.db2.gz IBRLSVNTTQVQDL-MRVPVSSYSA-N -1 0 308.381 -0.314 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)c1cccn2c(=O)[nH]nc12 ZINC001601966060 1017899531 /nfs/dbraw/zinc/89/95/31/1017899531.db2.gz UVPZSOCONLTPCK-QMMMGPOBSA-N -1 0 306.278 -0.249 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1CCOCC(F)F ZINC001601967855 1017899776 /nfs/dbraw/zinc/89/97/76/1017899776.db2.gz IUXIDMQOGLAOIR-QMMMGPOBSA-N -1 0 301.311 -0.158 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1CCC[C@@](O)(CO)C1 ZINC001601986977 1017900615 /nfs/dbraw/zinc/90/06/15/1017900615.db2.gz LROMWHHGCMMZDY-LBPRGKRZSA-N -1 0 309.384 -0.220 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1CN1CC2(CC2)CC1=O ZINC001601969253 1017901475 /nfs/dbraw/zinc/90/14/75/1017901475.db2.gz ZZBWXCRKFDQBFC-SNVBAGLBSA-N -1 0 316.379 -0.470 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1[C@@H]1CCN(C2CC2)C1=O ZINC001601968853 1017901634 /nfs/dbraw/zinc/90/16/34/1017901634.db2.gz UGZIBEQWMHBYAA-WDEREUQCSA-N -1 0 316.379 -0.677 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N[C@@H]1CCC(=O)NC1=O ZINC001601986352 1017901886 /nfs/dbraw/zinc/90/18/86/1017901886.db2.gz MHKVYDHACMVQER-MRVPVSSYSA-N -1 0 306.340 -0.644 20 0 DBADRM O=C([O-])CCC(=O)COC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001601969682 1017902526 /nfs/dbraw/zinc/90/25/26/1017902526.db2.gz XHWGZLIACDLLGA-PHIMTYICSA-N -1 0 323.301 -0.085 20 0 DBADRM O=C([O-])CCC(=O)COC(=O)CCN1CCCS1(=O)=O ZINC001601969069 1017903410 /nfs/dbraw/zinc/90/34/10/1017903410.db2.gz MOAKXUXCOOVCFY-UHFFFAOYSA-N -1 0 307.324 -0.611 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001601987811 1017903565 /nfs/dbraw/zinc/90/35/65/1017903565.db2.gz XUEJGDMFMPKYGS-JTQLQIEISA-N -1 0 308.338 -0.246 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1CN1CC2(CC2)CC1=O ZINC001601969252 1017903671 /nfs/dbraw/zinc/90/36/71/1017903671.db2.gz ZZBWXCRKFDQBFC-JTQLQIEISA-N -1 0 316.379 -0.470 20 0 DBADRM O=C([O-])CCCONC(=O)c1ccnc(N2CCOCC2)n1 ZINC001601996177 1017905304 /nfs/dbraw/zinc/90/53/04/1017905304.db2.gz HYUSGIFLHFYUNX-UHFFFAOYSA-N -1 0 310.310 -0.161 20 0 DBADRM O=C([O-])CCCc1nc(CN2CCN3CCOC[C@@H]3C2)no1 ZINC001602000728 1017906478 /nfs/dbraw/zinc/90/64/78/1017906478.db2.gz BPVNEYBJLGWMLO-NSHDSACASA-N -1 0 310.354 -0.007 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001601998412 1017907607 /nfs/dbraw/zinc/90/76/07/1017907607.db2.gz CXNVAZVWLFDPBU-JTQLQIEISA-N -1 0 319.383 -0.283 20 0 DBADRM O=C([O-])CCCONC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC001601996477 1017907609 /nfs/dbraw/zinc/90/76/09/1017907609.db2.gz YANWQBOWWINWNU-UHFFFAOYSA-N -1 0 307.262 -0.257 20 0 DBADRM O=C([O-])CCCc1nc(CN2CCN3C(=O)NC(=O)[C@H]3C2)no1 ZINC001602000959 1017908013 /nfs/dbraw/zinc/90/80/13/1017908013.db2.gz FHQKHAJCWYDYEK-MRVPVSSYSA-N -1 0 323.309 -0.787 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)c2cn3c(n2)COCC3)C1=O ZINC001602011721 1017908892 /nfs/dbraw/zinc/90/88/92/1017908892.db2.gz SDFKDXJCJBPMSL-JTQLQIEISA-N -1 0 323.305 -0.354 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC(F)F ZINC001602005646 1017909960 /nfs/dbraw/zinc/90/99/60/1017909960.db2.gz HJGBLWGNUILWPY-QMMMGPOBSA-N -1 0 308.281 -0.150 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)c2cnn3c2OCCC3)C1=O ZINC001602011041 1017911913 /nfs/dbraw/zinc/91/19/13/1017911913.db2.gz KJNBEXAPYNELPL-JTQLQIEISA-N -1 0 323.305 -0.102 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](OC(=O)[C@@H]2CCC(=O)NC2)C1=O ZINC001602012963 1017914071 /nfs/dbraw/zinc/91/40/71/1017914071.db2.gz SQTSFDOCWHORTI-NXEZZACHSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCN1CCC[C@H](OC(=O)C[C@@H]2COC(=O)C2)C1=O ZINC001602014299 1017915236 /nfs/dbraw/zinc/91/52/36/1017915236.db2.gz KCRTZXQNLZSGDA-ZJUUUORDSA-N -1 0 313.306 -0.052 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](OC(=O)c2cc[n+]([O-])cc2)C1=O ZINC001602013822 1017915359 /nfs/dbraw/zinc/91/53/59/1017915359.db2.gz JNNUTCRQVZZVGS-LLVKDONJSA-N -1 0 308.290 -0.058 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCC12CCOCC2 ZINC001602017801 1017918975 /nfs/dbraw/zinc/91/89/75/1017918975.db2.gz KNFIFXIWLJPDCX-UHFFFAOYSA-N -1 0 313.354 -0.068 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)[C@H](O)c2cccnc2)C1=O ZINC001602017423 1017919664 /nfs/dbraw/zinc/91/96/64/1017919664.db2.gz XQGHUXGMDCYOMM-CMPLNLGQSA-N -1 0 308.290 -0.266 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@@H](CO)CC(F)F ZINC001602019098 1017919674 /nfs/dbraw/zinc/91/96/74/1017919674.db2.gz IGHGEMHVBUIHDP-SSDOTTSWSA-N -1 0 311.285 -0.717 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001602018081 1017919871 /nfs/dbraw/zinc/91/98/71/1017919871.db2.gz HBIPDQSVEJWBTC-UHFFFAOYSA-N -1 0 321.293 -0.854 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)[C@@H](O)c2cccnc2)C1=O ZINC001602017424 1017920275 /nfs/dbraw/zinc/92/02/75/1017920275.db2.gz XQGHUXGMDCYOMM-JQWIXIFHSA-N -1 0 308.290 -0.266 20 0 DBADRM O=C([O-])CCNC(=O)c1ccc(NC(=O)Cn2ncnn2)cc1 ZINC001602023500 1017923156 /nfs/dbraw/zinc/92/31/56/1017923156.db2.gz RICGRWKGUIQONV-UHFFFAOYSA-N -1 0 318.293 -0.484 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)[C@@H]1COCCN1CC(F)F ZINC001602021500 1017923179 /nfs/dbraw/zinc/92/31/79/1017923179.db2.gz KMKCSWZFGWQBDO-QMMMGPOBSA-N -1 0 324.280 -0.914 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cnn2c1NCCC2 ZINC001602020306 1017923355 /nfs/dbraw/zinc/92/33/55/1017923355.db2.gz SAXVAYDRYGXCCW-UHFFFAOYSA-N -1 0 309.326 -0.591 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCc1cscn1 ZINC001602020904 1017923615 /nfs/dbraw/zinc/92/36/15/1017923615.db2.gz UVPDBLZEIYXMJB-UHFFFAOYSA-N -1 0 300.340 -0.077 20 0 DBADRM Cc1cncn1CC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001499022271 1017924552 /nfs/dbraw/zinc/92/45/52/1017924552.db2.gz VLMXIMHNPHDYBA-JTQLQIEISA-N -1 0 305.342 -0.594 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=S)NC[C@H]1CCCO1 ZINC001602020363 1017924611 /nfs/dbraw/zinc/92/46/11/1017924611.db2.gz UDPOBVDSYZXDSK-SECBINFHSA-N -1 0 303.384 -0.390 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1nccnc1Cl ZINC001602020595 1017925075 /nfs/dbraw/zinc/92/50/75/1017925075.db2.gz WXHJSNRJSOJJGN-UHFFFAOYSA-N -1 0 300.702 -0.159 20 0 DBADRM O=C([O-])CC[C@H]1NC(=O)N(c2cnn(-c3ncccn3)c2)C1=O ZINC001602038573 1017927662 /nfs/dbraw/zinc/92/76/62/1017927662.db2.gz DJZZMGVTLCEZEM-SECBINFHSA-N -1 0 316.277 -0.048 20 0 DBADRM O=C([O-])CCc1nnn(CC(=O)NCC(=O)c2ccccc2)n1 ZINC001602048917 1017929187 /nfs/dbraw/zinc/92/91/87/1017929187.db2.gz KGJUUIUZUCJTST-UHFFFAOYSA-N -1 0 317.305 -0.311 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCC(CO)(CO)C2)O1 ZINC001602034558 1017929213 /nfs/dbraw/zinc/92/92/13/1017929213.db2.gz JDSDVEUPRXGQJT-WDEREUQCSA-N -1 0 301.339 -0.398 20 0 DBADRM O=C([O-])CN1CCN(C(=O)c2ccnc3c2CC(=O)N3)CC1 ZINC001602060999 1017931370 /nfs/dbraw/zinc/93/13/70/1017931370.db2.gz PJXCXTFHWWRVJC-UHFFFAOYSA-N -1 0 304.306 -0.581 20 0 DBADRM O=C([O-])CN1CCN(S(=O)(=O)c2c[nH]nc2Cl)CC1 ZINC001602062382 1017931990 /nfs/dbraw/zinc/93/19/90/1017931990.db2.gz QMDVKVNMNIXNQR-UHFFFAOYSA-N -1 0 308.747 -0.546 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CCc1ncccn1 ZINC001602054874 1017932715 /nfs/dbraw/zinc/93/27/15/1017932715.db2.gz JRKZEYOHVNHEOB-UHFFFAOYSA-N -1 0 322.365 -0.345 20 0 DBADRM O=C([O-])CN1CCN(C(=O)[C@H]2CC(c3ccccn3)=NO2)CC1 ZINC001602063002 1017933486 /nfs/dbraw/zinc/93/34/86/1017933486.db2.gz GMVBSMMBCABFKQ-CYBMUJFWSA-N -1 0 318.333 -0.197 20 0 DBADRM O=C([O-])CN(CCc1ccccc1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001602056028 1017933808 /nfs/dbraw/zinc/93/38/08/1017933808.db2.gz RUFPCDXXOLDUCA-NSHDSACASA-N -1 0 319.317 -0.260 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)C(=O)c1ccc(O)cc1 ZINC001602064358 1017934587 /nfs/dbraw/zinc/93/45/87/1017934587.db2.gz RWCQBPLBFYALQQ-LLVKDONJSA-N -1 0 320.301 -0.233 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1CO ZINC001602064624 1017935474 /nfs/dbraw/zinc/93/54/74/1017935474.db2.gz CDQXDPQDAOVORD-CYBMUJFWSA-N -1 0 320.345 -0.087 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)Cn1cc(C2CC2)cn1 ZINC001602065550 1017935595 /nfs/dbraw/zinc/93/55/95/1017935595.db2.gz JLOMARGVSFALGV-LBPRGKRZSA-N -1 0 320.349 -0.048 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCn2ccnc2C1 ZINC001602064543 1017935740 /nfs/dbraw/zinc/93/57/40/1017935740.db2.gz ZJAGBBIIAZADSH-MNOVXSKESA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)c1cccnc1 ZINC001602064098 1017935942 /nfs/dbraw/zinc/93/59/42/1017935942.db2.gz KCTGIACHETZSKL-JQWIXIFHSA-N -1 0 307.306 -0.693 20 0 DBADRM O=C([O-])CNC(=O)CN1CCn2c(cnc2C(F)(F)F)C1 ZINC001602065901 1017936514 /nfs/dbraw/zinc/93/65/14/1017936514.db2.gz JUCMLBUEVXRAEW-UHFFFAOYSA-N -1 0 306.244 -0.082 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCn2ccnc2C1 ZINC001602064542 1017936800 /nfs/dbraw/zinc/93/68/00/1017936800.db2.gz ZJAGBBIIAZADSH-GHMZBOCLSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1ccc(CO)nc1 ZINC001602064752 1017937392 /nfs/dbraw/zinc/93/73/92/1017937392.db2.gz AXFRDCLRIMQXHH-LLVKDONJSA-N -1 0 307.306 -0.621 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)CC1OCCCO1 ZINC001602063751 1017937649 /nfs/dbraw/zinc/93/76/49/1017937649.db2.gz AQLBJKHWIOAROO-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001602064407 1017937834 /nfs/dbraw/zinc/93/78/34/1017937834.db2.gz UCOPBDDGXSOQMS-BXKDBHETSA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@H](O)c1ccccc1 ZINC001602067610 1017938703 /nfs/dbraw/zinc/93/87/03/1017938703.db2.gz UBMNCXIPQRWLHB-DGCLKSJQSA-N -1 0 306.318 -0.088 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001602066535 1017939189 /nfs/dbraw/zinc/93/91/89/1017939189.db2.gz VDBIYQGTHDHUIB-SSDOTTSWSA-N -1 0 311.260 -0.812 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)Cn1cc(C2CC2)nn1 ZINC001602068373 1017939354 /nfs/dbraw/zinc/93/93/54/1017939354.db2.gz ZUCHFSWGLRCROF-LLVKDONJSA-N -1 0 321.337 -0.653 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1c[nH]nc1-c1cccnc1 ZINC001602069381 1017940466 /nfs/dbraw/zinc/94/04/66/1017940466.db2.gz CSSOAGDKDAZIAX-UHFFFAOYSA-N -1 0 303.278 -0.598 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1CC(=O)NCc1ccccn1 ZINC001602067189 1017941399 /nfs/dbraw/zinc/94/13/99/1017941399.db2.gz QFRMSRJPUMNOKA-GFCCVEGCSA-N -1 0 320.349 -0.637 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cnc(OCC2CC2)cn1 ZINC001602070317 1017943847 /nfs/dbraw/zinc/94/38/47/1017943847.db2.gz OSCOOMFYUIBGFQ-UHFFFAOYSA-N -1 0 309.278 -0.377 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1CCC[C@@H](C(F)(F)F)N1 ZINC001602070465 1017944058 /nfs/dbraw/zinc/94/40/58/1017944058.db2.gz FESYODSYUAQPEW-RQJHMYQMSA-N -1 0 312.244 -0.197 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cnn(-c2ccncc2)c1 ZINC001602069849 1017944242 /nfs/dbraw/zinc/94/42/42/1017944242.db2.gz IUUAYOHQVCFPID-UHFFFAOYSA-N -1 0 303.278 -0.802 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccc2ccc(=O)[nH]c21 ZINC001602069857 1017944856 /nfs/dbraw/zinc/94/48/56/1017944856.db2.gz JIMJHGOXEAQKTB-UHFFFAOYSA-N -1 0 303.274 -0.129 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(N2C(=O)N[C@H](CF)C2=O)cc1 ZINC001602071638 1017944910 /nfs/dbraw/zinc/94/49/10/1017944910.db2.gz UHVFSVJQYIBSBX-SNVBAGLBSA-N -1 0 323.280 -0.176 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccn(C2CCOCC2)n1 ZINC001602070404 1017945006 /nfs/dbraw/zinc/94/50/06/1017945006.db2.gz ZVDYOUAVTQUYOW-UHFFFAOYSA-N -1 0 311.294 -0.408 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C[C@@H]2CC(=O)N2)cc1 ZINC001602073590 1017945444 /nfs/dbraw/zinc/94/54/44/1017945444.db2.gz RDJMHKQDUDLZED-SNVBAGLBSA-N -1 0 305.290 -0.282 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1csc(-c2ncc[nH]2)n1 ZINC001602069819 1017945660 /nfs/dbraw/zinc/94/56/60/1017945660.db2.gz GSRYOIFVCQVGLN-UHFFFAOYSA-N -1 0 309.307 -0.536 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)NC2CC2)cc1 ZINC001602071470 1017945903 /nfs/dbraw/zinc/94/59/03/1017945903.db2.gz HZYSIOKXJGJMNH-UHFFFAOYSA-N -1 0 319.317 -0.353 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cncc(-n2ccnn2)c1 ZINC001602070312 1017946416 /nfs/dbraw/zinc/94/64/16/1017946416.db2.gz NXDUVDWPWBJEMF-UHFFFAOYSA-N -1 0 305.250 -0.980 20 0 DBADRM O=C([O-])COCCNC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC001602079287 1017947149 /nfs/dbraw/zinc/94/71/49/1017947149.db2.gz BIOPVWOPBDHNKQ-JTQLQIEISA-N -1 0 318.326 -0.691 20 0 DBADRM O=C([O-])COCCNC(=O)c1cc(N2CCOCC2)ccn1 ZINC001602079089 1017947276 /nfs/dbraw/zinc/94/72/76/1017947276.db2.gz CDPHXDKUKQLQKK-UHFFFAOYSA-N -1 0 309.322 -0.251 20 0 DBADRM O=C([O-])COCC(=O)NC1CCN(C(=O)c2ccncc2)CC1 ZINC001602077278 1017948287 /nfs/dbraw/zinc/94/82/87/1017948287.db2.gz ZOPJZFQJCVDJBS-UHFFFAOYSA-N -1 0 321.333 -0.096 20 0 DBADRM O=C([O-])COCCNC(=O)c1ccc(CN2CCOCC2)o1 ZINC001602079078 1017948943 /nfs/dbraw/zinc/94/89/43/1017948943.db2.gz BDPOVISEXXZBAT-UHFFFAOYSA-N -1 0 312.322 -0.057 20 0 DBADRM O=C([O-])COCCNC(=O)c1cnc2c(c1)NC(=O)CS2 ZINC001602079404 1017949980 /nfs/dbraw/zinc/94/99/80/1017949980.db2.gz XLTOBMDXCWDDLW-UHFFFAOYSA-N -1 0 311.319 -0.043 20 0 DBADRM O=C([O-])COCC(=O)N[C@@H](CO)c1nc(-c2ccccc2)no1 ZINC001602076836 1017950418 /nfs/dbraw/zinc/95/04/18/1017950418.db2.gz XDMFNWUCIGEFII-JTQLQIEISA-N -1 0 321.289 -0.013 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@H]2O)c1 ZINC001602093296 1017951188 /nfs/dbraw/zinc/95/11/88/1017951188.db2.gz HGRHIQHGKKWHRN-GHMZBOCLSA-N -1 0 308.290 -0.272 20 0 DBADRM O=C([O-])COCCNC(=O)NCc1ccnc(-n2cncn2)c1 ZINC001602079676 1017952568 /nfs/dbraw/zinc/95/25/68/1017952568.db2.gz CYTQPFJUYSEHCV-UHFFFAOYSA-N -1 0 320.309 -0.437 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)CN2CCNC(=O)C2)c1 ZINC001602092674 1017952710 /nfs/dbraw/zinc/95/27/10/1017952710.db2.gz KRBGUQRMJGZYRM-UHFFFAOYSA-N -1 0 307.306 -0.480 20 0 DBADRM O=C([O-])COCCNC(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC001602079658 1017953177 /nfs/dbraw/zinc/95/31/77/1017953177.db2.gz BHTZALQZDCZFLE-UHFFFAOYSA-N -1 0 311.220 -0.276 20 0 DBADRM O=C([O-])CSCCC(=O)N(CCO)CCN1CCOCC1 ZINC001602097000 1017953950 /nfs/dbraw/zinc/95/39/50/1017953950.db2.gz AMOUDTQPRJVFRU-UHFFFAOYSA-N -1 0 320.411 -0.653 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)N2CC[C@@H](O)[C@@H](CO)C2)n1 ZINC001602136108 1017955878 /nfs/dbraw/zinc/95/58/78/1017955878.db2.gz LBUGXCUATGROSG-MWLCHTKSSA-N -1 0 309.322 -0.084 20 0 DBADRM O=C([O-])CSCCNC(=O)C(=O)Nc1cnn(CCF)c1 ZINC001602099489 1017956576 /nfs/dbraw/zinc/95/65/76/1017956576.db2.gz SDOQFHSWAWETPP-UHFFFAOYSA-N -1 0 318.330 -0.275 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)NN2CCCNC2=O)cc1 ZINC001602121693 1017956791 /nfs/dbraw/zinc/95/67/91/1017956791.db2.gz MACJIMUBGLLMHB-UHFFFAOYSA-N -1 0 320.305 -0.301 20 0 DBADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)Cn1ncn2nccc2c1=O ZINC001602105694 1017957014 /nfs/dbraw/zinc/95/70/14/1017957014.db2.gz BIIFDQOMOHDDQO-VHSXEESVSA-N -1 0 319.321 -0.349 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)NC[C@H](O)Cn2ccnn2)C1 ZINC001602110923 1017957725 /nfs/dbraw/zinc/95/77/25/1017957725.db2.gz SPPJVECXUWWAGR-VWYCJHECSA-N -1 0 311.342 -0.418 20 0 DBADRM O=C([O-])C[C@@H](O)CN1C(=O)c2cc(F)ccc2S1(=O)=O ZINC001602105124 1017958223 /nfs/dbraw/zinc/95/82/23/1017958223.db2.gz PMZKCPHSEKTGDD-SSDOTTSWSA-N -1 0 303.267 -0.194 20 0 DBADRM O=C([O-])Cc1cccc(C(=O)NCCCN2C(=O)CNC2=O)c1 ZINC001602132782 1017958262 /nfs/dbraw/zinc/95/82/62/1017958262.db2.gz OBIFRDZAGJUQAE-UHFFFAOYSA-N -1 0 319.317 -0.015 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)N2CC[C@H](O)[C@@H](CO)C2)n1 ZINC001602136107 1017958557 /nfs/dbraw/zinc/95/85/57/1017958557.db2.gz LBUGXCUATGROSG-KOLCDFICSA-N -1 0 309.322 -0.084 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001602144596 1017959245 /nfs/dbraw/zinc/95/92/45/1017959245.db2.gz GOKNGJAGNBJSDE-LLVKDONJSA-N -1 0 319.317 -0.082 20 0 DBADRM O=C([O-])Cc1occc1C(=O)NCc1nnc2n1CCNC2=O ZINC001602155182 1017961485 /nfs/dbraw/zinc/96/14/85/1017961485.db2.gz IUFVWMBZLCIVHO-UHFFFAOYSA-N -1 0 319.277 -0.828 20 0 DBADRM O=C([O-])Cc1occc1C(=O)NCCn1ccc(=O)[nH]c1=O ZINC001602155281 1017961504 /nfs/dbraw/zinc/96/15/04/1017961504.db2.gz BYNUWLOZFNKWST-UHFFFAOYSA-N -1 0 307.262 -0.401 20 0 DBADRM O=C([O-])Cc1sccc1C(=O)NCCN1CCNC(=O)C1 ZINC001602156823 1017961746 /nfs/dbraw/zinc/96/17/46/1017961746.db2.gz APPBVGXKYLFHGX-UHFFFAOYSA-N -1 0 311.363 -0.463 20 0 DBADRM O=C([O-])Cc1occc1C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001602155694 1017961889 /nfs/dbraw/zinc/96/18/89/1017961889.db2.gz RJJFFJQCSQZPCW-CQSZACIVSA-N -1 0 324.289 -0.142 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)N2CCS(=O)(=O)CC2)n1 ZINC001602139471 1017961966 /nfs/dbraw/zinc/96/19/66/1017961966.db2.gz XQXUWQIRNOOWOP-UHFFFAOYSA-N -1 0 313.335 -0.029 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CN1CCCCC1=O)c2=O ZINC001602167214 1017967468 /nfs/dbraw/zinc/96/74/68/1017967468.db2.gz JFRMIJSUDCRGTG-UHFFFAOYSA-N -1 0 305.294 -0.352 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)n1 ZINC001602165623 1017967525 /nfs/dbraw/zinc/96/75/25/1017967525.db2.gz OIXNJRFDZDUOLM-QMMMGPOBSA-N -1 0 316.339 -0.476 20 0 DBADRM O=C([O-])[C@@H](F)CNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001602170608 1017971409 /nfs/dbraw/zinc/97/14/09/1017971409.db2.gz JMPNUFSQUOMWCG-CBAPKCEASA-N -1 0 307.303 -0.455 20 0 DBADRM O=C([O-])[C@@H](F)CNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC001602170626 1017971328 /nfs/dbraw/zinc/97/13/28/1017971328.db2.gz LCZIGPAVQQTJNG-YFKPBYRVSA-N -1 0 322.245 -0.039 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCN(CCO)CC2)C1 ZINC001602191313 1017971837 /nfs/dbraw/zinc/97/18/37/1017971837.db2.gz CJCSXBRONYQFTR-NWDGAFQWSA-N -1 0 300.355 -0.607 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCOC[C@@H]2C[C@@H]2CCOC2)C(=O)O1 ZINC001602188085 1017972144 /nfs/dbraw/zinc/97/21/44/1017972144.db2.gz GSTVCSAHNXZMOR-SRVKXCTJSA-N -1 0 314.338 -0.023 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C2=NN(CCO)C(=O)CC2)C[C@H]1C1CC1 ZINC001602181277 1017973422 /nfs/dbraw/zinc/97/34/22/1017973422.db2.gz XKRUWARSANQJFX-WDEREUQCSA-N -1 0 323.349 -0.474 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001602197150 1017974011 /nfs/dbraw/zinc/97/40/11/1017974011.db2.gz QQERODNUBYYDCK-QXEWZRGKSA-N -1 0 312.301 -0.048 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)Cn1c(=O)cnc2ccccc21 ZINC001602190726 1017974422 /nfs/dbraw/zinc/97/44/22/1017974422.db2.gz DGCLEUSJOBCIJW-SKDRFNHKSA-N -1 0 317.301 -0.557 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)[C@H]3C[C@H](O)CN3c3ccncn3)C[C@@H]21 ZINC001602206818 1017977734 /nfs/dbraw/zinc/97/77/34/1017977734.db2.gz VEGSCEKYVQZHLV-ZTVLKNOQSA-N -1 0 318.333 -0.795 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)C[C@@H]21 ZINC001602204413 1017977756 /nfs/dbraw/zinc/97/77/56/1017977756.db2.gz GLFJFZIEPKSEHW-MVVXRAEJSA-N -1 0 307.350 -0.031 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CC3(n4cnnn4)CCOCC3)C[C@@H]21 ZINC001602206823 1017978211 /nfs/dbraw/zinc/97/82/11/1017978211.db2.gz KCTNPIKATUIEGB-IAZYJMLFSA-N -1 0 321.337 -0.642 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)NC[C@@H]3CCCS(=O)(=O)C3)C[C@@H]21 ZINC001602204721 1017978494 /nfs/dbraw/zinc/97/84/94/1017978494.db2.gz KIHVSDLUGCJLCG-UKKRHICBSA-N -1 0 316.379 -0.217 20 0 DBADRM O=C([O-])[C@]12CN(c3nnnn3C[C@H]3CCOC3)C[C@H]1COCC2 ZINC001602208198 1017979695 /nfs/dbraw/zinc/97/96/95/1017979695.db2.gz DLWLLTRUYCFCBT-UHIISALHSA-N -1 0 323.353 -0.363 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)[C@H]3COCCN3CC(F)F)C[C@@H]21 ZINC001602207522 1017980231 /nfs/dbraw/zinc/98/02/31/1017980231.db2.gz ZWSFZIHZSOPQOB-LOKLDPHHSA-N -1 0 304.293 -0.259 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN(c3nccnn3)CC2)on1 ZINC001602243123 1017980897 /nfs/dbraw/zinc/98/08/97/1017980897.db2.gz JWMJZRBJLJHMLD-UHFFFAOYSA-N -1 0 304.266 -0.480 20 0 DBADRM O=C([O-])c1c(F)cccc1S(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC001602230276 1017981599 /nfs/dbraw/zinc/98/15/99/1017981599.db2.gz TYUSXMMVWWOTEB-APPZFPTMSA-N -1 0 319.310 -0.502 20 0 DBADRM O=C([O-])c1c(N2C[C@@H]3C[C@]3(O)C2)ncnc1N1C[C@@H]2C[C@]2(O)C1 ZINC001602230363 1017982470 /nfs/dbraw/zinc/98/24/70/1017982470.db2.gz CNFRNUNMPKKHET-DMAMZFHHSA-N -1 0 318.333 -0.683 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001602221515 1017983200 /nfs/dbraw/zinc/98/32/00/1017983200.db2.gz YMCRNIRCUZDSRY-KXNHARMFSA-N -1 0 319.379 -0.206 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@H](CCO)[C@H](CO)C2)c[nH]1 ZINC001602288822 1017983794 /nfs/dbraw/zinc/98/37/94/1017983794.db2.gz KPNRISDKNDVYTB-IUCAKERBSA-N -1 0 318.351 -0.676 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@@H](c3nnc[nH]3)C2)on1 ZINC001602289798 1017984186 /nfs/dbraw/zinc/98/41/86/1017984186.db2.gz XNMIOIOWHIBBGL-ZCFIWIBFSA-N -1 0 313.295 -0.331 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@@H](N3CC=CC3)C2)n[nH]1 ZINC001602289878 1017985251 /nfs/dbraw/zinc/98/52/51/1017985251.db2.gz YNZRAMVEHAVGIM-SECBINFHSA-N -1 0 312.351 -0.257 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H]3C[C@H](O)CC[C@@H]3C2)n[nH]1 ZINC001602292379 1017985300 /nfs/dbraw/zinc/98/53/00/1017985300.db2.gz JSINJLOVHHFGKN-HRDYMLBCSA-N -1 0 315.351 -0.111 20 0 DBADRM O=C([O-])c1cc(F)cc(C(=O)NC[C@@]2(CO)COCCN2)c1 ZINC001602269648 1017985564 /nfs/dbraw/zinc/98/55/64/1017985564.db2.gz OKRGRBOSSUHZOL-CQSZACIVSA-N -1 0 312.297 -0.395 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@H](O)CC(F)(F)C2)on1 ZINC001602289286 1017986049 /nfs/dbraw/zinc/98/60/49/1017986049.db2.gz VJJGBGXSBQIVFR-RXMQYKEDSA-N -1 0 312.250 -0.237 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)s1 ZINC001602316963 1017988824 /nfs/dbraw/zinc/98/88/24/1017988824.db2.gz KBQPAPZAPXVDKV-SSDOTTSWSA-N -1 0 310.331 -0.231 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)[nH]1 ZINC001602321038 1017989417 /nfs/dbraw/zinc/98/94/17/1017989417.db2.gz ONTHFVVMHJLFIU-RYUDHWBXSA-N -1 0 305.290 -0.068 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCOC(F)(F)F)n[nH]1 ZINC001602296124 1017989979 /nfs/dbraw/zinc/98/99/79/1017989979.db2.gz QPVKPSVXBNPWRE-UHFFFAOYSA-N -1 0 303.218 -0.077 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@H](CO)CN2CCOCC2)s1 ZINC001602320174 1017990095 /nfs/dbraw/zinc/99/00/95/1017990095.db2.gz ZTLHNDFWYBDZPA-VIFPVBQESA-N -1 0 314.363 -0.131 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cn1 ZINC001602333756 1017991405 /nfs/dbraw/zinc/99/14/05/1017991405.db2.gz ANZHGHONLIIBJG-SNVBAGLBSA-N -1 0 318.289 -0.915 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCc2nnc3c(=O)[nH]ccn23)[nH]1 ZINC001602323743 1017991717 /nfs/dbraw/zinc/99/17/17/1017991717.db2.gz XJVHLLVNVHYYSF-UHFFFAOYSA-N -1 0 302.250 -0.626 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCC2(O)CCS(=O)(=O)CC2)o1 ZINC001602322010 1017992369 /nfs/dbraw/zinc/99/23/69/1017992369.db2.gz SZKKGINHVVWLMX-UHFFFAOYSA-N -1 0 317.319 -0.353 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCCCNC2=O)cn1 ZINC001602397392 1017994847 /nfs/dbraw/zinc/99/48/47/1017994847.db2.gz YIWSIMZPHQRUAF-VIFPVBQESA-N -1 0 313.335 -0.273 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)cn1 ZINC001602401376 1017995206 /nfs/dbraw/zinc/99/52/06/1017995206.db2.gz KDFVPZCFWXKCMB-PSASIEDQSA-N -1 0 302.308 -0.792 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@](F)(CO)C2)cn1 ZINC001602395073 1017995840 /nfs/dbraw/zinc/99/58/40/1017995840.db2.gz MRYMGKKMQCAVPC-NSHDSACASA-N -1 0 304.299 -0.125 20 0 DBADRM O=C([O-])c1ccc2c(c1)N(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)CC2 ZINC001602422374 1017996266 /nfs/dbraw/zinc/99/62/66/1017996266.db2.gz RHOMIEDKLWWEQX-MGPQQGTHSA-N -1 0 319.313 -0.313 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCN([C@H]3CCOC3)CC2)n1 ZINC001602477109 1017998334 /nfs/dbraw/zinc/99/83/34/1017998334.db2.gz AUSWQMACQAYVHD-NSHDSACASA-N -1 0 308.338 -0.486 20 0 DBADRM O=C([O-])c1cccc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)n1 ZINC001602433401 1018000211 /nfs/dbraw/zinc/00/02/11/1018000211.db2.gz NWODUEVINWOLJW-LBPRGKRZSA-N -1 0 314.319 -0.941 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCC[C@H]2C2OCCO2)c1=O ZINC001602474853 1018000664 /nfs/dbraw/zinc/00/06/64/1018000664.db2.gz CNKMAMFXEXQDOW-NSHDSACASA-N -1 0 322.317 -0.090 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)NC[C@H]1CCCS1(=O)=O ZINC001602488820 1018001442 /nfs/dbraw/zinc/00/14/42/1018001442.db2.gz MJPACQNJYVGYDO-SSDOTTSWSA-N -1 0 323.348 -0.167 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC001602482602 1018001843 /nfs/dbraw/zinc/00/18/43/1018001843.db2.gz WJHXGMLXVLTMCI-OCAPTIKFSA-N -1 0 304.262 -0.484 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NC[C@H](O)[C@@H]2CCCO2)c1 ZINC001602484874 1018002061 /nfs/dbraw/zinc/00/20/61/1018002061.db2.gz RWEPRTQQYNBVRZ-UWVGGRQHSA-N -1 0 316.335 -0.402 20 0 DBADRM O=C([O-])c1ccoc1CN1CCN2[C@H](CNS2(=O)=O)C1 ZINC001602485917 1018002153 /nfs/dbraw/zinc/00/21/53/1018002153.db2.gz HUHLUHXAGWTJSV-MRVPVSSYSA-N -1 0 301.324 -0.688 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCN(C(=O)C3CC3)CC2)n1 ZINC001602477230 1018002697 /nfs/dbraw/zinc/00/26/97/1018002697.db2.gz IMCHIHFVEIGNMT-UHFFFAOYSA-N -1 0 306.322 -0.338 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)nn1 ZINC001602492748 1018003563 /nfs/dbraw/zinc/00/35/63/1018003563.db2.gz JUSPSIIMBLHJQI-VHSXEESVSA-N -1 0 310.310 -0.445 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)nn1 ZINC001602501975 1018004553 /nfs/dbraw/zinc/00/45/53/1018004553.db2.gz LEQIBLCMNHDUML-MRVPVSSYSA-N -1 0 316.321 -0.112 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CN3CCSC3=O)C2)nn1 ZINC001602501934 1018004812 /nfs/dbraw/zinc/00/48/12/1018004812.db2.gz IZRZWEZKOURQOP-UHFFFAOYSA-N -1 0 311.323 -0.472 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@@H]3CCCC34OCCO4)C2)nn1 ZINC001602501968 1018004893 /nfs/dbraw/zinc/00/48/93/1018004893.db2.gz KISATVACEOLBNV-JTQLQIEISA-N -1 0 322.321 -0.097 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)NCCc3cn[nH]c3)C2)nn1 ZINC001602499291 1018005575 /nfs/dbraw/zinc/00/55/75/1018005575.db2.gz PCADWKJADSCBTI-JTQLQIEISA-N -1 0 319.325 -0.102 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(S(=O)(=O)N3CCCC3)C2)nn1 ZINC001602500826 1018006196 /nfs/dbraw/zinc/00/61/96/1018006196.db2.gz SKPPKYFNMOTLCU-SECBINFHSA-N -1 0 315.355 -0.436 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCOC[C@H]2C2CC2)nn1 ZINC001602503235 1018007212 /nfs/dbraw/zinc/00/72/12/1018007212.db2.gz FZDWQELGKWKJQS-NSHDSACASA-N -1 0 309.326 -0.203 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)/C=C\CN3CCOCC3)C2)nn1 ZINC001602502342 1018007500 /nfs/dbraw/zinc/00/75/00/1018007500.db2.gz YHFAYKSRBLZBNE-UPHRSURJSA-N -1 0 321.337 -0.752 20 0 DBADRM O=C([O-])c1cn(CCOC(=O)[C@H]2CCCCS2(=O)=O)nn1 ZINC001602504377 1018007548 /nfs/dbraw/zinc/00/75/48/1018007548.db2.gz IBCQXVXHBAAVME-SECBINFHSA-N -1 0 317.323 -0.513 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@H]2CCn3ccnc3C2)nn1 ZINC001602503783 1018008534 /nfs/dbraw/zinc/00/85/34/1018008534.db2.gz VHZDJQJKUUUJCB-VIFPVBQESA-N -1 0 304.310 -0.448 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)nn1 ZINC001602502517 1018008829 /nfs/dbraw/zinc/00/88/29/1018008829.db2.gz FOGMKMJGPVYYAK-HORACTTISA-N -1 0 312.351 -0.512 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)cn1 ZINC001602508677 1018009920 /nfs/dbraw/zinc/00/99/20/1018009920.db2.gz BTLYSLWLCSIQCV-VIFPVBQESA-N -1 0 319.321 -0.195 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC1(CF)CCOCC1 ZINC001602508003 1018010677 /nfs/dbraw/zinc/01/06/77/1018010677.db2.gz UFXZIULQHVZGGE-UHFFFAOYSA-N -1 0 307.303 -0.095 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)nc1 ZINC001602524666 1018010748 /nfs/dbraw/zinc/01/07/48/1018010748.db2.gz FOQZKKYYNKAVKR-WYUUTHIRSA-N -1 0 318.333 -0.238 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cn1 ZINC001602507609 1018011295 /nfs/dbraw/zinc/01/12/95/1018011295.db2.gz RHURUSWSMLBKIL-QWHCGFSZSA-N -1 0 320.349 -0.154 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCc2nc([C@H]3CCOC3)n[nH]2)cn1 ZINC001602509331 1018011673 /nfs/dbraw/zinc/01/16/73/1018011673.db2.gz YRXMJQNKAXZIRA-ZETCQYMHSA-N -1 0 318.293 -0.273 20 0 DBADRM O=C([O-])c1cn(CN2CCCS(=O)(=O)C[C@H]2C2CC2)nn1 ZINC001602504916 1018011723 /nfs/dbraw/zinc/01/17/23/1018011723.db2.gz CNPDGHWISGHJLH-NSHDSACASA-N -1 0 314.367 -0.167 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)C3CC3)[C@H](O)C2)nc1 ZINC001602526092 1018012673 /nfs/dbraw/zinc/01/26/73/1018012673.db2.gz XFXQZKPGWZJXRS-WDEREUQCSA-N -1 0 306.322 -0.359 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)[C@H]2CC23CC3)nc1 ZINC001602529591 1018012758 /nfs/dbraw/zinc/01/27/58/1018012758.db2.gz GOWCJLKBPZRZQV-VHSXEESVSA-N -1 0 306.322 -0.136 20 0 DBADRM O=C([O-])c1cnc(NC[C@H]2CCN(C(=O)c3cn[nH]n3)C2)nc1 ZINC001602531306 1018013477 /nfs/dbraw/zinc/01/34/77/1018013477.db2.gz ZRCULHPLASABPQ-MRVPVSSYSA-N -1 0 317.309 -0.133 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)[C@]3(F)CCOC3)CC2)nc1 ZINC001602527405 1018013560 /nfs/dbraw/zinc/01/35/60/1018013560.db2.gz USYUIZIAFHMFIH-AWEZNQCLSA-N -1 0 324.312 -0.048 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)c2cccnn2)nc1 ZINC001602529330 1018013887 /nfs/dbraw/zinc/01/38/87/1018013887.db2.gz JORBYEAFQKMGOA-SECBINFHSA-N -1 0 318.293 -0.832 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)c3nnc[nH]3)C2)nc1 ZINC001602525768 1018013947 /nfs/dbraw/zinc/01/39/47/1018013947.db2.gz LIWVVKJNKNFGND-QMMMGPOBSA-N -1 0 303.282 -0.698 20 0 DBADRM O=C([O-])c1cnc(N(CCNC(=O)c2cn[nH]n2)C2CC2)nc1 ZINC001602525226 1018014281 /nfs/dbraw/zinc/01/42/81/1018014281.db2.gz JPTLBIDWAZFHHJ-UHFFFAOYSA-N -1 0 317.309 -0.308 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCCS(=O)(=O)CC2)c1 ZINC001602545884 1018015203 /nfs/dbraw/zinc/01/52/03/1018015203.db2.gz YKGMBYJYNBCLLW-UHFFFAOYSA-N -1 0 301.324 -0.772 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N2CC[C@H](O)[C@@H](F)C2)c1 ZINC001602542338 1018015238 /nfs/dbraw/zinc/01/52/38/1018015238.db2.gz UKAQWCWRKSFOFC-UWVGGRQHSA-N -1 0 304.299 -0.127 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCOC[C@@H]2c2ncon2)c1 ZINC001602545186 1018016196 /nfs/dbraw/zinc/01/61/96/1018016196.db2.gz OSLZZFUYRCSYBO-SECBINFHSA-N -1 0 307.266 -0.436 20 0 DBADRM O=C([O-])c1nccc(N2CCN(C(=O)c3cncnc3)CC2)n1 ZINC001602572106 1018018349 /nfs/dbraw/zinc/01/83/49/1018018349.db2.gz OWXPINUDCBJJGY-UHFFFAOYSA-N -1 0 314.305 -0.073 20 0 DBADRM O=C([O-])c1nc(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cs1 ZINC001602566090 1018019119 /nfs/dbraw/zinc/01/91/19/1018019119.db2.gz CATDKEACWDESAO-KNVOCYPGSA-N -1 0 316.360 -0.042 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)[C@H]2CCCNC2=O)n1 ZINC001602573142 1018019184 /nfs/dbraw/zinc/01/91/84/1018019184.db2.gz IVKMTYPGMYDILP-VIFPVBQESA-N -1 0 321.337 -0.959 20 0 DBADRM O=C([O-])c1coc(CNC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)n1 ZINC001602554249 1018019307 /nfs/dbraw/zinc/01/93/07/1018019307.db2.gz DDHWNYRUZSJDJF-QIPHIMSASA-N -1 0 322.273 -0.290 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)[C@H]2CCCOC2)n1 ZINC001602573373 1018019510 /nfs/dbraw/zinc/01/95/10/1018019510.db2.gz NDFSBORWAAMYGZ-JTQLQIEISA-N -1 0 308.338 -0.059 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)c3cocn3)C2)n1 ZINC001602575523 1018020366 /nfs/dbraw/zinc/02/03/66/1018020366.db2.gz ZLMWJBDBQZAREF-QMMMGPOBSA-N -1 0 303.278 -0.089 20 0 DBADRM O=C([O-])c1nccc(NC/C=C\CNC(=O)c2cnco2)n1 ZINC001602574007 1018020381 /nfs/dbraw/zinc/02/03/81/1018020381.db2.gz YSZHKDSTOHDRIS-UPHRSURJSA-N -1 0 303.278 -0.017 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)n1 ZINC001602575051 1018020397 /nfs/dbraw/zinc/02/03/97/1018020397.db2.gz VTOJUDMJMVNGTR-JZYVYDRUSA-N -1 0 318.333 -0.450 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@H](NC(=O)[C@@H]3COCCO3)C2)n1 ZINC001602578510 1018020696 /nfs/dbraw/zinc/02/06/96/1018020696.db2.gz UJAGQIHMOPHSGL-GUBZILKMSA-N -1 0 322.321 -0.929 20 0 DBADRM O=C([O-])c1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCOC2)n1 ZINC001602574876 1018021178 /nfs/dbraw/zinc/02/11/78/1018021178.db2.gz YHRGYKMTSWPSNE-UXCLJVHYSA-N -1 0 318.333 -0.238 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NCC[C@]1(O)CCOC1 ZINC001602578491 1018021592 /nfs/dbraw/zinc/02/15/92/1018021592.db2.gz VCEVKYORQUMZBX-LBPRGKRZSA-N -1 0 316.335 -0.400 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)N1CCC(CO)(CO)CC1 ZINC001602582162 1018022022 /nfs/dbraw/zinc/02/20/22/1018022022.db2.gz GQSRVUPCBFBCPA-UHFFFAOYSA-N -1 0 312.322 -0.101 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CCN(C(=O)C2CC2)C1 ZINC001602585082 1018022200 /nfs/dbraw/zinc/02/22/00/1018022200.db2.gz NLFOSQLKYRJFSM-UHFFFAOYSA-N -1 0 323.305 -0.072 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)N1C[C@H](CCO)[C@H](CO)C1 ZINC001602581216 1018022325 /nfs/dbraw/zinc/02/23/25/1018022325.db2.gz PQKCEXOABBMFTN-UWVGGRQHSA-N -1 0 312.322 -0.245 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1C[C@@H](O)C2(CC2)C1 ZINC001602584281 1018022464 /nfs/dbraw/zinc/02/24/64/1018022464.db2.gz CSPSBCBUTAKFPR-ZCFIWIBFSA-N -1 0 304.349 -0.013 20 0 DBADRM O=C([O-])c1ncn(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)n1 ZINC001602580265 1018022705 /nfs/dbraw/zinc/02/27/05/1018022705.db2.gz PQCUGJYLYSBSGA-BDAKNGLRSA-N -1 0 300.340 -0.415 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NCCOCCCO ZINC001602583138 1018023220 /nfs/dbraw/zinc/02/32/20/1018023220.db2.gz QAQWOWVTACLSMW-UHFFFAOYSA-N -1 0 310.353 -0.481 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NCCc1nnc[nH]1 ZINC001602589292 1018023482 /nfs/dbraw/zinc/02/34/82/1018023482.db2.gz YACKPXFETAZSMR-UHFFFAOYSA-N -1 0 303.325 -0.520 20 0 DBADRM O=C([O-])c1occc1CN1CCS(=O)(=O)C[C@H]1CCO ZINC001602590997 1018023955 /nfs/dbraw/zinc/02/39/55/1018023955.db2.gz NXNMVPZKVPOHRF-SNVBAGLBSA-N -1 0 303.336 -0.041 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001602584720 1018024048 /nfs/dbraw/zinc/02/40/48/1018024048.db2.gz JEMMYMNDAFVAON-IUCAKERBSA-N -1 0 314.294 -0.909 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001602623739 1018024364 /nfs/dbraw/zinc/02/43/64/1018024364.db2.gz DJFPEFXCXZTNPR-CQSZACIVSA-N -1 0 302.290 -0.071 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC001602621734 1018024453 /nfs/dbraw/zinc/02/44/53/1018024453.db2.gz BTHIMXLFEUNNFM-PSVAKVPMSA-N -1 0 303.336 -1.000 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2cnc(-c3ccccn3)nc2)C1 ZINC001602627917 1018025167 /nfs/dbraw/zinc/02/51/67/1018025167.db2.gz QSONYYQESKZHAZ-UHFFFAOYSA-N -1 0 300.274 -0.190 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2ccc3[nH]c(CO)nc3c2)C1 ZINC001602625371 1018025736 /nfs/dbraw/zinc/02/57/36/1018025736.db2.gz DSCVGHTXAAGEGH-CQSZACIVSA-N -1 0 305.290 -0.283 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2ccc(CN3CCOCC3)o2)C1 ZINC001602624857 1018025869 /nfs/dbraw/zinc/02/58/69/1018025869.db2.gz JKEMFSDIYDXFAN-HNNXBMFYSA-N -1 0 324.333 -0.227 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001602624301 1018026028 /nfs/dbraw/zinc/02/60/28/1018026028.db2.gz YEWICMNMDZTWOR-AWEZNQCLSA-N -1 0 308.290 -0.479 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)nn1 ZINC001602633178 1018027109 /nfs/dbraw/zinc/02/71/09/1018027109.db2.gz BZSGPFUUJMJZCH-IUCAKERBSA-N -1 0 308.294 -0.297 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2cnc3ccnn3c2C(F)F)C1 ZINC001602629922 1018027356 /nfs/dbraw/zinc/02/73/56/1018027356.db2.gz RWABXROVQCXSIH-UHFFFAOYSA-N -1 0 312.232 -0.062 20 0 DBADRM O=C([O-])c1cc(F)ccc1S(=O)(=O)N[C@H]1CNC(=O)C1 ZINC001602635215 1018027649 /nfs/dbraw/zinc/02/76/49/1018027649.db2.gz FIPWAVVJRPFOKJ-SSDOTTSWSA-N -1 0 302.283 -0.309 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C1 ZINC001602631492 1018028227 /nfs/dbraw/zinc/02/82/27/1018028227.db2.gz CWSGCTBRYOHJAP-VIFPVBQESA-N -1 0 308.265 -0.091 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)C1 ZINC001602636190 1018028407 /nfs/dbraw/zinc/02/84/07/1018028407.db2.gz PCXVPKZTIOMKGF-JTQLQIEISA-N -1 0 319.317 -0.047 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)NC[C@@H]3CNC(=O)C3)C2)nn1 ZINC001602636476 1018028540 /nfs/dbraw/zinc/02/85/40/1018028540.db2.gz GFXOXMHMAATEPT-IUCAKERBSA-N -1 0 322.325 -0.931 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)CN2CCCCC(=O)C2=O)CC1 ZINC001602643991 1018028945 /nfs/dbraw/zinc/02/89/45/1018028945.db2.gz QEZLFLPWEQABKP-UHFFFAOYSA-N -1 0 312.322 -0.994 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001602644376 1018028957 /nfs/dbraw/zinc/02/89/57/1018028957.db2.gz VNAPYDUAMAEHHA-DTWKUNHWSA-N -1 0 300.311 -0.622 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001602638856 1018029054 /nfs/dbraw/zinc/02/90/54/1018029054.db2.gz LMYBXFIPUYAHQU-SECBINFHSA-N -1 0 319.273 -0.755 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001602643590 1018029220 /nfs/dbraw/zinc/02/92/20/1018029220.db2.gz VIOAZIXANKUBQI-DTWKUNHWSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccc([C@H]3CCC(=O)N3)cc2)C1 ZINC001602638919 1018029332 /nfs/dbraw/zinc/02/93/32/1018029332.db2.gz MVXLGDXGNPQOAV-LLVKDONJSA-N -1 0 304.302 -0.091 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC001602642301 1018029516 /nfs/dbraw/zinc/02/95/16/1018029516.db2.gz CJSJUDCSGPZMTH-XWLWVQCSSA-N -1 0 323.349 -0.907 20 0 DBADRM O=C([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1CNC(=O)C1 ZINC001602638075 1018030195 /nfs/dbraw/zinc/03/01/95/1018030195.db2.gz YPOGKCQABFXTNE-VIFPVBQESA-N -1 0 312.347 -0.060 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)[C@H]3CCC(=O)NC3)C2)nn1 ZINC001602642776 1018030406 /nfs/dbraw/zinc/03/04/06/1018030406.db2.gz NPHFRGNNUSZMCE-VHSXEESVSA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC(N3CCCC3=O)C2)CCC1 ZINC001602644242 1018030448 /nfs/dbraw/zinc/03/04/48/1018030448.db2.gz WKBNYDVMLFCXSF-UHFFFAOYSA-N -1 0 316.379 -0.122 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)C1 ZINC001602645359 1018031222 /nfs/dbraw/zinc/03/12/22/1018031222.db2.gz CUZZDHHTPYJDFS-HNNXBMFYSA-N -1 0 320.301 -0.032 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc2c(c1)C(=O)CCO2 ZINC001602645413 1018032045 /nfs/dbraw/zinc/03/20/45/1018032045.db2.gz MIRIWLNICFPFSN-VIFPVBQESA-N -1 0 315.303 -0.624 20 0 DBADRM O=C([O-])c1cnc(N[C@@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)nc1 ZINC001602646716 1018032826 /nfs/dbraw/zinc/03/28/26/1018032826.db2.gz VPJKSTVGRMHESM-OPRDCNLKSA-N -1 0 319.321 -0.488 20 0 DBADRM O=C([O-])c1cc(F)ccc1NC(=O)C(=O)NN1CC(=O)NC1=O ZINC001602650242 1018032844 /nfs/dbraw/zinc/03/28/44/1018032844.db2.gz GICLWRBNZWGEJM-UHFFFAOYSA-N -1 0 324.224 -0.955 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2CCCNC(=O)C2)n1 ZINC001602649617 1018032999 /nfs/dbraw/zinc/03/29/99/1018032999.db2.gz VTKALISDOYYPHK-UHFFFAOYSA-N -1 0 306.278 -0.933 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C1CC1 ZINC001602654729 1018033689 /nfs/dbraw/zinc/03/36/89/1018033689.db2.gz CPRAIMNRALUNLB-PUUHTONNSA-N -1 0 309.322 -0.266 20 0 DBADRM O=C([O-])c1sccc1-n1cc(CN2CCNC(=O)C2)nn1 ZINC001602650424 1018033795 /nfs/dbraw/zinc/03/37/95/1018033795.db2.gz OIQRSIIHLCGZQZ-UHFFFAOYSA-N -1 0 307.335 -0.041 20 0 DBADRM O=C([O-])c1nc(C(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)cs1 ZINC001602651839 1018034393 /nfs/dbraw/zinc/03/43/93/1018034393.db2.gz PJRCEBPKSVPREJ-XPUUQOCRSA-N -1 0 311.319 -0.429 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001602653344 1018034468 /nfs/dbraw/zinc/03/44/68/1018034468.db2.gz POOLXJLFSQKTCD-SFYZADRCSA-N -1 0 305.290 -0.516 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001602652479 1018034761 /nfs/dbraw/zinc/03/47/61/1018034761.db2.gz QGCQAPULMZLIQO-RKDXNWHRSA-N -1 0 320.301 -0.075 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)[C@@H]1CSCC(=O)N1 ZINC001602654066 1018035032 /nfs/dbraw/zinc/03/50/32/1018035032.db2.gz RMKWJJQWOJDYAA-ZJUUUORDSA-N -1 0 309.347 -0.575 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001602656597 1018036151 /nfs/dbraw/zinc/03/61/51/1018036151.db2.gz VNSNKYYAGGSNKN-VGRMVHKJSA-N -1 0 324.255 -0.510 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)[C@H]3CCOC(=O)N3)C2)nn1 ZINC001602656489 1018036185 /nfs/dbraw/zinc/03/61/85/1018036185.db2.gz PJJHPCHBEJWCCD-JGVFFNPUSA-N -1 0 309.282 -0.752 20 0 DBADRM O=C([O-])c1cncc(NC[C@@H]2CCC[C@]23NC(=O)NC3=O)n1 ZINC001602655171 1018036256 /nfs/dbraw/zinc/03/62/56/1018036256.db2.gz NKSPTNTYIKDJCS-CPFSXVBKSA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](S(=O)(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)C1 ZINC001602659884 1018037975 /nfs/dbraw/zinc/03/79/75/1018037975.db2.gz WMKWJMYDQCKDCM-IMSYWVGJSA-N -1 0 318.351 -0.390 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@H]1C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001602660236 1018038189 /nfs/dbraw/zinc/03/81/89/1018038189.db2.gz XYQPKAPTBYUMQM-TUAOUCFPSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1COC(=O)N1)c1ccc2c(c1)CCO2 ZINC001602659155 1018038262 /nfs/dbraw/zinc/03/82/62/1018038262.db2.gz MYEHOCJAKZVVKK-ONGXEEELSA-N -1 0 306.274 -0.028 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)[C@H]([C@H]2CCCO2)C1 ZINC001602659954 1018038932 /nfs/dbraw/zinc/03/89/32/1018038932.db2.gz YNYQZFPHYJZSPJ-XWLWVQCSSA-N -1 0 312.322 -0.034 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)[C@@H]([C@H]2CCCO2)C1 ZINC001602659953 1018039039 /nfs/dbraw/zinc/03/90/39/1018039039.db2.gz YNYQZFPHYJZSPJ-UKKRHICBSA-N -1 0 312.322 -0.034 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)[C@H]3COC(=O)N3)C2)nn1 ZINC001602658118 1018039124 /nfs/dbraw/zinc/03/91/24/1018039124.db2.gz OOWRBARRWAPIEE-IONNQARKSA-N -1 0 309.282 -0.752 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC3(C2)CCNC(=O)O3)o1 ZINC001602659774 1018039580 /nfs/dbraw/zinc/03/95/80/1018039580.db2.gz SPBGFADIETXIIC-UHFFFAOYSA-N -1 0 316.291 -0.149 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)CCN2CCOC2=O)CCSC1 ZINC001602663535 1018039628 /nfs/dbraw/zinc/03/96/28/1018039628.db2.gz UGCFXMUUXVCINL-JTQLQIEISA-N -1 0 324.380 -0.682 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC3(C2)CCNC(=O)O3)CCC1 ZINC001602659407 1018039643 /nfs/dbraw/zinc/03/96/43/1018039643.db2.gz POFMCORWOSZOSI-UHFFFAOYSA-N -1 0 318.351 -0.245 20 0 DBADRM O=C([O-])C12CC(C(=O)NC[C@@]34COC(=O)N3CCOC4)(C1)C2 ZINC001602660784 1018039670 /nfs/dbraw/zinc/03/96/70/1018039670.db2.gz HCWQRYJWNMPBDL-JXQTWKCFSA-N -1 0 310.306 -0.421 20 0 DBADRM O=Cc1c[nH]c(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c1 ZINC001602662563 1018039685 /nfs/dbraw/zinc/03/96/85/1018039685.db2.gz VZTHWQUKSGWVBT-UHFFFAOYSA-N -1 0 309.322 -0.314 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C[C@H]2C(=O)Nc3c2cccc3F)C1 ZINC001602658736 1018039756 /nfs/dbraw/zinc/03/97/56/1018039756.db2.gz KECUNDCTTTXIJI-MRVPVSSYSA-N -1 0 308.265 -0.091 20 0 DBADRM O=Cc1cn(CC(=O)N[C@@H](CO)C(=O)[O-])nc1-c1ccccc1 ZINC001602669388 1018040974 /nfs/dbraw/zinc/04/09/74/1018040974.db2.gz MZNPGTDBKVVRLV-LBPRGKRZSA-N -1 0 317.301 -0.076 20 0 DBADRM O=Cc1ccccc1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001602668958 1018042057 /nfs/dbraw/zinc/04/20/57/1018042057.db2.gz RNVNUYGOFCGWNC-UHFFFAOYSA-N -1 0 324.318 -0.233 20 0 DBADRM C=CC(=O)NCCC(=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001602713344 1018050127 /nfs/dbraw/zinc/05/01/27/1018050127.db2.gz ZWCANVIDIVJQLK-UHFFFAOYSA-N -1 0 308.294 -0.258 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@H](C)C(=O)[O-])C1 ZINC001602751420 1018056640 /nfs/dbraw/zinc/05/66/40/1018056640.db2.gz XYBWMGMQDGUTSI-SCZZXKLOSA-N -1 0 300.311 -0.623 20 0 DBADRM CC(=O)N1CC[C@H](CN(C)C(=O)NCCOCC(=O)[O-])C1 ZINC001602743960 1018056848 /nfs/dbraw/zinc/05/68/48/1018056848.db2.gz AFNKKJDAOFJSJM-LLVKDONJSA-N -1 0 301.343 -0.403 20 0 DBADRM CC(=O)N1CCC(NC(=O)C(=O)NCCCCC(=O)[O-])CC1 ZINC001602744252 1018056981 /nfs/dbraw/zinc/05/69/81/1018056981.db2.gz KOCIMTDBHALPPZ-UHFFFAOYSA-N -1 0 313.354 -0.515 20 0 DBADRM Cn1ccc(=O)c(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)c1 ZINC001499284524 1018057061 /nfs/dbraw/zinc/05/70/61/1018057061.db2.gz AHAIGDCXDVIUJT-UHFFFAOYSA-N -1 0 318.337 -0.739 20 0 DBADRM CC(=O)N1CCC(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1 ZINC001602744181 1018058013 /nfs/dbraw/zinc/05/80/13/1018058013.db2.gz ISQBXMWLDJXNDR-WFASDCNBSA-N -1 0 310.350 -0.196 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@@H](C)C(=O)[O-])C1 ZINC001602751425 1018058366 /nfs/dbraw/zinc/05/83/66/1018058366.db2.gz XYBWMGMQDGUTSI-WPRPVWTQSA-N -1 0 300.311 -0.623 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C\Cn1cncn1)[C@@H](C)C(=O)[O-] ZINC001602753908 1018059010 /nfs/dbraw/zinc/05/90/10/1018059010.db2.gz VKGVCOLBLSJGMQ-XOULXFPDSA-N -1 0 309.326 -0.728 20 0 DBADRM CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC001602765331 1018059026 /nfs/dbraw/zinc/05/90/26/1018059026.db2.gz LASFZSCSZSPHQA-AWEZNQCLSA-N -1 0 323.305 -0.465 20 0 DBADRM CC(=O)NCCN(CC(=O)Nc1ccncc1)[C@@H](C)C(=O)[O-] ZINC001602757404 1018059781 /nfs/dbraw/zinc/05/97/81/1018059781.db2.gz GFDMIRXBZUSRLM-JTQLQIEISA-N -1 0 308.338 -0.647 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001602760734 1018059834 /nfs/dbraw/zinc/05/98/34/1018059834.db2.gz QVUCWRUAUXMKKH-GHMZBOCLSA-N -1 0 314.338 -0.234 20 0 DBADRM CC(=O)NCCN(C(=O)c1cnc2n1CCOC2)[C@@H](C)C(=O)[O-] ZINC001602758093 1018060477 /nfs/dbraw/zinc/06/04/77/1018060477.db2.gz VCQLUJZEJTWSMY-VIFPVBQESA-N -1 0 324.337 -0.535 20 0 DBADRM CC(=O)NCCN(C(=O)Cn1cc(Cl)cn1)[C@H](C)C(=O)[O-] ZINC001602755682 1018060708 /nfs/dbraw/zinc/06/07/08/1018060708.db2.gz JANCSGZLOHHGOG-MRVPVSSYSA-N -1 0 316.745 -0.026 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H](NC(N)=O)C(C)C)[C@@H](C)C(=O)[O-] ZINC001602755874 1018061288 /nfs/dbraw/zinc/06/12/88/1018061288.db2.gz SKMHLHOIBOWFGU-WPRPVWTQSA-N -1 0 316.358 -0.883 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])n1cccc1 ZINC001602789754 1018062303 /nfs/dbraw/zinc/06/23/03/1018062303.db2.gz WBHNLNASAKQOCU-NXEZZACHSA-N -1 0 300.336 -0.241 20 0 DBADRM CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)nc1 ZINC001602765361 1018063586 /nfs/dbraw/zinc/06/35/86/1018063586.db2.gz NROGNJMYIOCONR-UHFFFAOYSA-N -1 0 320.305 -0.591 20 0 DBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccnn1C)N1CCN(C)CC1 ZINC001602788604 1018063777 /nfs/dbraw/zinc/06/37/77/1018063777.db2.gz GZSZOLBSTKNNGQ-PWSUYJOCSA-N -1 0 309.370 -0.702 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])n1cccc1 ZINC001602789755 1018063826 /nfs/dbraw/zinc/06/38/26/1018063826.db2.gz WBHNLNASAKQOCU-UWVGGRQHSA-N -1 0 300.336 -0.241 20 0 DBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602854842 1018068984 /nfs/dbraw/zinc/06/89/84/1018068984.db2.gz ZTMVDBYAFPKUOS-FZNYLWTLSA-N -1 0 313.354 -0.371 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@H]2CCS(=O)(=O)N2)cn1 ZINC001602838390 1018070481 /nfs/dbraw/zinc/07/04/81/1018070481.db2.gz RTRQHTCFWDTEJV-MRVPVSSYSA-N -1 0 316.339 -0.667 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N2CC[C@@H](NC(N)=O)C2)n1 ZINC001602838795 1018070545 /nfs/dbraw/zinc/07/05/45/1018070545.db2.gz GODYJWFXSMNBRW-MRVPVSSYSA-N -1 0 324.341 -0.023 20 0 DBADRM CC(C)(C)N1C[C@H](CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1=O ZINC001602868080 1018072023 /nfs/dbraw/zinc/07/20/23/1018072023.db2.gz DOBIDEQMLCORMC-WPRPVWTQSA-N -1 0 311.338 -0.021 20 0 DBADRM CC(C)(C)OC(=O)NCCN(CCO)CC(=O)NCC(=O)[O-] ZINC001602905539 1018075360 /nfs/dbraw/zinc/07/53/60/1018075360.db2.gz PLVFWLRICBWTHX-UHFFFAOYSA-N -1 0 319.358 -0.994 20 0 DBADRM CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](NC(=O)C(=O)[O-])CO2 ZINC001602881749 1018073194 /nfs/dbraw/zinc/07/31/94/1018073194.db2.gz IXBBORRCOTVGSH-MRVPVSSYSA-N -1 0 300.311 -0.034 20 0 DBADRM CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001602871734 1018073715 /nfs/dbraw/zinc/07/37/15/1018073715.db2.gz RHONNALMDJCDRN-SNVBAGLBSA-N -1 0 323.353 -0.118 20 0 DBADRM CC(C)(C)OC(=O)NCCNC(=O)c1cn(CC(=O)[O-])nn1 ZINC001602905694 1018074989 /nfs/dbraw/zinc/07/49/89/1018074989.db2.gz YUFULLAVYOLFGH-UHFFFAOYSA-N -1 0 313.314 -0.383 20 0 DBADRM CC(C)(C)n1cnc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)n1 ZINC001602928354 1018076800 /nfs/dbraw/zinc/07/68/00/1018076800.db2.gz VBIKEKAJPFZIQY-MRVPVSSYSA-N -1 0 310.310 -0.125 20 0 DBADRM CC(C)(C)n1cc(C(=O)NCCOCCOCC(=O)[O-])nn1 ZINC001602928345 1018079950 /nfs/dbraw/zinc/07/99/50/1018079950.db2.gz UMSCVFUMLBCGCF-UHFFFAOYSA-N -1 0 314.342 -0.119 20 0 DBADRM C[C@H](Cc1c[nH]cn1)C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001499376369 1018084774 /nfs/dbraw/zinc/08/47/74/1018084774.db2.gz CWQHKEAVASUZTP-SECBINFHSA-N -1 0 319.369 -0.149 20 0 DBADRM C/C(=C\CNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC001602963525 1018085053 /nfs/dbraw/zinc/08/50/53/1018085053.db2.gz FQPSHZBOTJICMC-KMOPYBJPSA-N -1 0 307.306 -0.756 20 0 DBADRM C/C(=C\CNC(=O)N1CCc2nn(C)c(=O)cc2C1)C(=O)[O-] ZINC001602972780 1018088898 /nfs/dbraw/zinc/08/88/98/1018088898.db2.gz LTMQKVJVTPWAMX-YCRREMRBSA-N -1 0 306.322 -0.121 20 0 DBADRM C[C@H](C(=O)N(C)C[C@@H]1CCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001602989014 1018089048 /nfs/dbraw/zinc/08/90/48/1018089048.db2.gz RADMZFKGADULQY-BDAKNGLRSA-N -1 0 306.330 -0.343 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC001602978728 1018091221 /nfs/dbraw/zinc/09/12/21/1018091221.db2.gz OWYVEAVHANGMCS-NXEZZACHSA-N -1 0 321.399 -0.324 20 0 DBADRM CC(=O)C1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC001602995846 1018092095 /nfs/dbraw/zinc/09/20/95/1018092095.db2.gz VKWYZWWHAZDSGL-UHFFFAOYSA-N -1 0 315.351 -0.043 20 0 DBADRM CC(C)[C@@](C)(CO)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001603004158 1018092174 /nfs/dbraw/zinc/09/21/74/1018092174.db2.gz BIBUBKBATIATRL-PRHODGIISA-N -1 0 308.346 -0.458 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H](O)[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001602998590 1018092677 /nfs/dbraw/zinc/09/26/77/1018092677.db2.gz QVFSULICLCUNIF-CIUDSAMLSA-N -1 0 306.330 -0.609 20 0 DBADRM CC(C)[C@@H](CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001602991983 1018093222 /nfs/dbraw/zinc/09/32/22/1018093222.db2.gz XGGJSEWMELEICU-SSDOTTSWSA-N -1 0 319.339 -0.879 20 0 DBADRM C[C@H](C(=O)N(C)c1ccnn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001602991744 1018093338 /nfs/dbraw/zinc/09/33/38/1018093338.db2.gz WOILABIVIPASMC-SSDOTTSWSA-N -1 0 302.302 -0.584 20 0 DBADRM C[C@@H](C(=O)N1CCC2(CCO2)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603001242 1018093831 /nfs/dbraw/zinc/09/38/31/1018093831.db2.gz UBFJHXBMMRSSAM-VIFPVBQESA-N -1 0 318.341 -0.199 20 0 DBADRM CC(=O)N(C)c1ccc(NC(=O)NCC(=O)NCC(=O)[O-])cn1 ZINC001603006229 1018095866 /nfs/dbraw/zinc/09/58/66/1018095866.db2.gz LSECZMRFYRXKNR-UHFFFAOYSA-N -1 0 323.309 -0.613 20 0 DBADRM C[C@@H](C(=O)NC[C@@H](CO)CC1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603010164 1018099688 /nfs/dbraw/zinc/09/96/88/1018099688.db2.gz TXFKJKMHOLFVEX-WPRPVWTQSA-N -1 0 320.357 -0.456 20 0 DBADRM C[C@@H](C(=O)NCc1ccncn1)n1cnc(-c2nnn[n-]2)n1 ZINC001603019816 1018100344 /nfs/dbraw/zinc/10/03/44/1018100344.db2.gz RKAOCLOZIOAFDG-ZETCQYMHSA-N -1 0 300.286 -0.874 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001603016461 1018100980 /nfs/dbraw/zinc/10/09/80/1018100980.db2.gz LFMLSAFAUWXOPO-DOMZBBRYSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](C(=O)Nc1ccc(F)nn1)n1cnc(-c2nnn[n-]2)n1 ZINC001603029263 1018102666 /nfs/dbraw/zinc/10/26/66/1018102666.db2.gz WIJZUSCEAZRCBN-YFKPBYRVSA-N -1 0 304.249 -0.413 20 0 DBADRM CC(C)COCCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001603030812 1018102959 /nfs/dbraw/zinc/10/29/59/1018102959.db2.gz RIQKSIXKJWOQSR-SNVBAGLBSA-N -1 0 307.368 -0.241 20 0 DBADRM C[C@H](C(=O)NCc1cncc(F)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001603019942 1018106031 /nfs/dbraw/zinc/10/60/31/1018106031.db2.gz VIPFVVFRYUCJSW-SSDOTTSWSA-N -1 0 317.288 -0.130 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001603025657 1018107034 /nfs/dbraw/zinc/10/70/34/1018107034.db2.gz ITWGFUQNCIRSBY-VXGBXAGGSA-N -1 0 313.354 -0.526 20 0 DBADRM Cn1cc(CCC(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC001499466339 1018107757 /nfs/dbraw/zinc/10/77/57/1018107757.db2.gz SIOLXUCFHLWMBS-UHFFFAOYSA-N -1 0 320.357 -0.990 20 0 DBADRM C[C@@H](C(=O)OC[C@@]1(C)CCNC1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001603032342 1018108103 /nfs/dbraw/zinc/10/81/03/1018108103.db2.gz PWSCHXBAOOSIHW-JVXZTZIISA-N -1 0 320.313 -0.911 20 0 DBADRM C[C@H](C(=O)OCC[C@@H]1CCNC1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001603033319 1018108716 /nfs/dbraw/zinc/10/87/16/1018108716.db2.gz XAPYNWCSQVTOLZ-SFYZADRCSA-N -1 0 320.313 -0.911 20 0 DBADRM C[C@@H](C(=O)OCCOCC1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603032424 1018109411 /nfs/dbraw/zinc/10/94/11/1018109411.db2.gz QHNNBLDLNOKZND-QMMMGPOBSA-N -1 0 307.314 -0.011 20 0 DBADRM CC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001603039873 1018110255 /nfs/dbraw/zinc/11/02/55/1018110255.db2.gz LOVHLSMPVQYAFQ-SECBINFHSA-N -1 0 313.335 -0.321 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001603035621 1018110469 /nfs/dbraw/zinc/11/04/69/1018110469.db2.gz GXHUASMJEUWBBX-QMMMGPOBSA-N -1 0 309.326 -0.748 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001603042005 1018110482 /nfs/dbraw/zinc/11/04/82/1018110482.db2.gz CXANDRVPGGJDPL-MGCOHNPYSA-N -1 0 307.310 -0.630 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@H]1C(=O)[O-] ZINC001603035030 1018111189 /nfs/dbraw/zinc/11/11/89/1018111189.db2.gz HYRKCDTXSBZFHV-VIFPVBQESA-N -1 0 313.354 -0.519 20 0 DBADRM CC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001603043033 1018113099 /nfs/dbraw/zinc/11/30/99/1018113099.db2.gz YKMATACRDFXQBB-GZMMTYOYSA-N -1 0 321.337 -0.430 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)C(N)=O ZINC001603052396 1018113277 /nfs/dbraw/zinc/11/32/77/1018113277.db2.gz JPOZSOSCZURQRR-LBPRGKRZSA-N -1 0 319.317 -0.393 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)CCCc1nc(C)no1)C(=O)[O-] ZINC001603055494 1018113656 /nfs/dbraw/zinc/11/36/56/1018113656.db2.gz QBERLKBWSOEMMU-VIFPVBQESA-N -1 0 319.339 -0.685 20 0 DBADRM CC(C)C[C@H](CO)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603048373 1018114226 /nfs/dbraw/zinc/11/42/26/1018114226.db2.gz PSFCDRVZSDHJRP-SECBINFHSA-N -1 0 312.326 -0.571 20 0 DBADRM CC(=O)NCc1cn(C2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001603052711 1018114476 /nfs/dbraw/zinc/11/44/76/1018114476.db2.gz QNBQUXPBBMQSGE-QWRGUYRKSA-N -1 0 307.310 -0.982 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])C(N)=O ZINC001603052630 1018114945 /nfs/dbraw/zinc/11/49/45/1018114945.db2.gz ORRWGVBKPFZGNS-IUCAKERBSA-N -1 0 301.343 -0.628 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC001603120708 1018116551 /nfs/dbraw/zinc/11/65/51/1018116551.db2.gz OBPAFHCZOJFDKF-LURJTMIESA-N -1 0 311.269 -0.158 20 0 DBADRM CC(C)[C@@H](CO)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603088235 1018118292 /nfs/dbraw/zinc/11/82/92/1018118292.db2.gz ZLHQAJSGHGBTSQ-SECBINFHSA-N -1 0 307.368 -0.601 20 0 DBADRM CC(=O)OC[C@H](CO)NC(=O)CCc1ocnc1C(=O)[O-] ZINC001603087431 1018117331 /nfs/dbraw/zinc/11/73/31/1018117331.db2.gz ASGFSMDIGSJHAG-QMMMGPOBSA-N -1 0 300.267 -0.654 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001603099367 1018118529 /nfs/dbraw/zinc/11/85/29/1018118529.db2.gz AKTZRBSXHLAADD-JTQLQIEISA-N -1 0 318.355 -0.520 20 0 DBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1nc2n(n1)CCCC2)C(=O)[O-] ZINC001603088224 1018118763 /nfs/dbraw/zinc/11/87/63/1018118763.db2.gz XBSGLRMDPPASNA-SECBINFHSA-N -1 0 309.326 -0.222 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001603075263 1018119136 /nfs/dbraw/zinc/11/91/36/1018119136.db2.gz LAAHWGKULPHEDL-ZJUUUORDSA-N -1 0 321.399 -0.133 20 0 DBADRM CC(C)OC[C@H]1CN(C(=O)c2cn(CC(=O)[O-])nn2)CCO1 ZINC001603075453 1018119662 /nfs/dbraw/zinc/11/96/62/1018119662.db2.gz CSNVTVRATFZYAY-SNVBAGLBSA-N -1 0 312.326 -0.371 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC001603125244 1018121739 /nfs/dbraw/zinc/12/17/39/1018121739.db2.gz FLBGZOKKSDAYIH-QMMMGPOBSA-N -1 0 315.351 -0.004 20 0 DBADRM CC(=O)N[C@@](C)(CNC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001499557020 1018122331 /nfs/dbraw/zinc/12/23/31/1018122331.db2.gz JNAYOUDBMMRFQR-AWEZNQCLSA-N -1 0 308.338 -0.480 20 0 DBADRM CC(=O)c1cn(CC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)nn1 ZINC001603124208 1018122363 /nfs/dbraw/zinc/12/23/63/1018122363.db2.gz SRTXNTPJXGOPJL-JTQLQIEISA-N -1 0 323.353 -0.512 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001603127754 1018122982 /nfs/dbraw/zinc/12/29/82/1018122982.db2.gz XKYZRMYTEQVQOB-VIFPVBQESA-N -1 0 306.322 -0.389 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC001603133084 1018123149 /nfs/dbraw/zinc/12/31/49/1018123149.db2.gz JAKPEJPVYALBPR-YDNLMGDJSA-N -1 0 304.368 -0.126 20 0 DBADRM C[C@H](C(=O)N1CC(O)(C(=O)[O-])C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001603139473 1018123217 /nfs/dbraw/zinc/12/32/17/1018123217.db2.gz DJMVAUPYJKBDCT-BBBLOLIVSA-N -1 0 324.333 -0.792 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1)C(=O)[O-] ZINC001603144999 1018125085 /nfs/dbraw/zinc/12/50/85/1018125085.db2.gz KYGDWUYBBGVNEU-OUAUKWLOSA-N -1 0 315.370 -0.999 20 0 DBADRM COCCC(=O)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001499590000 1018126692 /nfs/dbraw/zinc/12/66/92/1018126692.db2.gz NOYRZQXZYJUPLH-CQSZACIVSA-N -1 0 309.370 -0.029 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC001603144998 1018127297 /nfs/dbraw/zinc/12/72/97/1018127297.db2.gz KYGDWUYBBGVNEU-MXWKQRLJSA-N -1 0 315.370 -0.999 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)S(C)(=O)=O ZINC001603141844 1018127973 /nfs/dbraw/zinc/12/79/73/1018127973.db2.gz WDPBWZWJAHLDNI-WRWORJQWSA-N -1 0 304.324 -0.749 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCO[C@@]2(CCOC2)C1)C(=O)[O-] ZINC001603145302 1018128281 /nfs/dbraw/zinc/12/82/81/1018128281.db2.gz OVSNMBWXVONNKM-YGRLFVJLSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC(C)(CO)CC1)C(=O)[O-] ZINC001603145829 1018130753 /nfs/dbraw/zinc/13/07/53/1018130753.db2.gz XHFXQRZOOIEEFC-JTQLQIEISA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@@H](C(=O)NC1(C(=O)[O-])CC(CO)C1)[C@H](C)S(C)(=O)=O ZINC001603154447 1018131971 /nfs/dbraw/zinc/13/19/71/1018131971.db2.gz DZRQXESYOIUBPN-KXKCCUNLSA-N -1 0 307.368 -0.603 20 0 DBADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1F)N1CCNCC1=O ZINC001603152411 1018132656 /nfs/dbraw/zinc/13/26/56/1018132656.db2.gz BQYALGBUYIXDME-NOZJJQNGSA-N -1 0 323.324 -0.112 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001603158823 1018134722 /nfs/dbraw/zinc/13/47/22/1018134722.db2.gz GELBFRMKWLSYTH-GHMZBOCLSA-N -1 0 315.370 -0.998 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC001603162013 1018136344 /nfs/dbraw/zinc/13/63/44/1018136344.db2.gz UEZRENARTRACML-PSASIEDQSA-N -1 0 324.337 -0.090 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])Cn1cccn1 ZINC001603158952 1018136508 /nfs/dbraw/zinc/13/65/08/1018136508.db2.gz MTBCKNJEDMAOQB-QWRGUYRKSA-N -1 0 310.354 -0.186 20 0 DBADRM C[C@@H](CNC(=O)NC[C@@]12COC(=O)N1CCOC2)C(=O)[O-] ZINC001603176397 1018138805 /nfs/dbraw/zinc/13/88/05/1018138805.db2.gz DFRGNJXPCWYGNP-QPUJVOFHSA-N -1 0 301.299 -0.773 20 0 DBADRM C[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC001603173495 1018139209 /nfs/dbraw/zinc/13/92/09/1018139209.db2.gz NLZDZXLCUCLLOM-XVKPBYJWSA-N -1 0 319.310 -0.450 20 0 DBADRM C[C@@H](CNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C)C1)C(=O)[O-] ZINC001603175459 1018139381 /nfs/dbraw/zinc/13/93/81/1018139381.db2.gz NOPZGUUACPNOED-SBMIAAHKSA-N -1 0 304.368 -0.217 20 0 DBADRM C[C@@H](CNC(=O)C1(C(=O)[O-])CCOCC1)CN1CCOCC1 ZINC001603168345 1018140570 /nfs/dbraw/zinc/14/05/70/1018140570.db2.gz PSEJNNRTICDDEQ-LBPRGKRZSA-N -1 0 314.382 -0.048 20 0 DBADRM CC(C)(O)CO[N-]C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001603172896 1018141720 /nfs/dbraw/zinc/14/17/20/1018141720.db2.gz XGZAYOSAZRKTJU-JTQLQIEISA-N -1 0 307.310 -0.281 20 0 DBADRM C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C12CCC[NH+](CCC1)C2 ZINC001603201440 1018143412 /nfs/dbraw/zinc/14/34/12/1018143412.db2.gz GFZRLIOLQLDEGZ-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CC(C)=CCCn1c(=O)c(-c2nnn[n-]2)c(C)n(CCO)c1=O ZINC001603186374 1018144540 /nfs/dbraw/zinc/14/45/40/1018144540.db2.gz NVPCHVAUPLREEY-UHFFFAOYSA-N -1 0 320.353 -0.153 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)C1=NN(CCO)C(=O)CC1)C1CCC1 ZINC001603191691 1018145534 /nfs/dbraw/zinc/14/55/34/1018145534.db2.gz UXIANQFNZKIYEK-VIFPVBQESA-N -1 0 311.338 -0.189 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001603199531 1018145569 /nfs/dbraw/zinc/14/55/69/1018145569.db2.gz LSKSVQRLQSKMTQ-QONUSYMYSA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@H](C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O)S(C)(=O)=O ZINC001603220533 1018146209 /nfs/dbraw/zinc/14/62/09/1018146209.db2.gz GVDJQYDFNAIRIK-HTQZYQBOSA-N -1 0 307.324 -0.962 20 0 DBADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])CCCO1)C1(S(C)(=O)=O)CC1 ZINC001603215660 1018146499 /nfs/dbraw/zinc/14/64/99/1018146499.db2.gz JQQGCWWGLNBYHO-UFBFGSQYSA-N -1 0 305.352 -0.298 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001603207704 1018147249 /nfs/dbraw/zinc/14/72/49/1018147249.db2.gz GJFCRTHASIGQOA-KWBADKCTSA-N -1 0 309.326 -0.591 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603207673 1018147575 /nfs/dbraw/zinc/14/75/75/1018147575.db2.gz DQENHXXUUALITK-VIFPVBQESA-N -1 0 320.309 -0.692 20 0 DBADRM C[C@@H](NC(=O)[C@H](CO)NC(N)=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603215936 1018148581 /nfs/dbraw/zinc/14/85/81/1018148581.db2.gz LPQHPHCFHSHYNV-XAVMHZPKSA-N -1 0 301.343 -0.733 20 0 DBADRM C[C@@H](NC(=O)NCCOCCOCC(=O)[O-])c1cn[nH]c1 ZINC001603232340 1018150945 /nfs/dbraw/zinc/15/09/45/1018150945.db2.gz DBZVCFPHIODHTL-SECBINFHSA-N -1 0 300.315 -0.112 20 0 DBADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CNOC2)C1 ZINC001603249869 1018151059 /nfs/dbraw/zinc/15/10/59/1018151059.db2.gz HRXLAYKFWNOWFT-VHSXEESVSA-N -1 0 313.354 -0.645 20 0 DBADRM CC(C)(C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])N1CCOCC1 ZINC001603234834 1018151587 /nfs/dbraw/zinc/15/15/87/1018151587.db2.gz CXIQBXXNPDIAFY-JTQLQIEISA-N -1 0 316.354 -0.570 20 0 DBADRM CC(C)(C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])S(C)(=O)=O ZINC001603235712 1018151924 /nfs/dbraw/zinc/15/19/24/1018151924.db2.gz VDVXXRRTBXAHGD-ZETCQYMHSA-N -1 0 309.340 -0.858 20 0 DBADRM CC(C)[C@@H](O)CCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603231003 1018152041 /nfs/dbraw/zinc/15/20/41/1018152041.db2.gz IHSOLGMAGYEQBM-VIFPVBQESA-N -1 0 323.361 -0.836 20 0 DBADRM CC(C)(C(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001603235775 1018152441 /nfs/dbraw/zinc/15/24/41/1018152441.db2.gz XPIPBNXDYCAMEA-JTQLQIEISA-N -1 0 322.365 -0.078 20 0 DBADRM CC(C)[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCO1 ZINC001603246759 1018152459 /nfs/dbraw/zinc/15/24/59/1018152459.db2.gz WBZJAWXAWFFIMW-SNVBAGLBSA-N -1 0 320.357 -0.268 20 0 DBADRM C[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)c1ncn(C)n1 ZINC001603240325 1018152481 /nfs/dbraw/zinc/15/24/81/1018152481.db2.gz HNGTYLLUXGCTBS-MRVPVSSYSA-N -1 0 305.294 -0.448 20 0 DBADRM C[C@H](NC(=O)NCCOCCOCC(=O)[O-])c1cn[nH]c1 ZINC001603232341 1018152898 /nfs/dbraw/zinc/15/28/98/1018152898.db2.gz DBZVCFPHIODHTL-VIFPVBQESA-N -1 0 300.315 -0.112 20 0 DBADRM CN(CC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)C(=O)C1CC1 ZINC001499683257 1018154017 /nfs/dbraw/zinc/15/40/17/1018154017.db2.gz HTIPSRNPXVLISI-UHFFFAOYSA-N -1 0 322.369 -0.979 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001603265497 1018155219 /nfs/dbraw/zinc/15/52/19/1018155219.db2.gz LEVBKPWETREKJH-VHSXEESVSA-N -1 0 324.337 -0.474 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603265057 1018155525 /nfs/dbraw/zinc/15/55/25/1018155525.db2.gz GCWWZCIVOQOFDI-RDDDGLTNSA-N -1 0 310.310 -0.818 20 0 DBADRM CC(C)C[C@H](O)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001603264635 1018155537 /nfs/dbraw/zinc/15/55/37/1018155537.db2.gz HMAGFWTYVYWHSN-ZETCQYMHSA-N -1 0 309.330 -0.515 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCS1(=O)=O ZINC001603374359 1018178688 /nfs/dbraw/zinc/17/86/88/1018178688.db2.gz BXPFQOVCJJISPF-BHNWBGBOSA-N -1 0 304.324 -0.702 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1cnc2n1CCCC2)C(=O)[O-] ZINC001603262696 1018156706 /nfs/dbraw/zinc/15/67/06/1018156706.db2.gz AVTIEMYQWYUEJD-NSHDSACASA-N -1 0 303.340 -0.667 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001603266236 1018156899 /nfs/dbraw/zinc/15/68/99/1018156899.db2.gz RIKVATQNQNWVCT-TUAOUCFPSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC001603264749 1018156924 /nfs/dbraw/zinc/15/69/24/1018156924.db2.gz CMDMAKVOUZCWMC-WDEREUQCSA-N -1 0 300.355 -0.023 20 0 DBADRM CC(C)(C(=O)[O-])c1csc(NC(=O)C(=O)NCCO)n1 ZINC001603275833 1018159693 /nfs/dbraw/zinc/15/96/93/1018159693.db2.gz ZYXVOWWTHOSMDU-UHFFFAOYSA-N -1 0 301.324 -0.448 20 0 DBADRM C[C@@H](O)[C@H]1CCCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001603266467 1018159705 /nfs/dbraw/zinc/15/97/05/1018159705.db2.gz WXMPLRDMNPIBHB-NEPJUHHUSA-N -1 0 318.370 -0.093 20 0 DBADRM C[C@@H](OC(=O)C1(C(=O)[O-])CCSCC1)C(=O)NC(N)=O ZINC001603272976 1018160402 /nfs/dbraw/zinc/16/04/02/1018160402.db2.gz WBLIUBSHOGFDFI-ZCFIWIBFSA-N -1 0 304.324 -0.289 20 0 DBADRM C[C@H](c1ccccc1)[C@@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C(N)=O ZINC001603286986 1018160470 /nfs/dbraw/zinc/16/04/70/1018160470.db2.gz OEHJEDIKOVKIPY-JFUSQASVSA-N -1 0 319.317 -0.010 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccnc(S(N)(=O)=O)c2)C1 ZINC001603307391 1018161641 /nfs/dbraw/zinc/16/16/41/1018161641.db2.gz WKDXLUYOQJPDMZ-LBPRGKRZSA-N -1 0 313.335 -0.334 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(F)(F)C(=O)N2CCOCC2)C1 ZINC001603297224 1018162830 /nfs/dbraw/zinc/16/28/30/1018162830.db2.gz OFVQEMSZYGNINH-GFCCVEGCSA-N -1 0 320.292 -0.196 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC1 ZINC001603301340 1018162895 /nfs/dbraw/zinc/16/28/95/1018162895.db2.gz OFLCLHHKBZSMGY-UHFFFAOYSA-N -1 0 316.339 -0.616 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(F)(F)C[C@H]2CO)C1 ZINC001603296999 1018163276 /nfs/dbraw/zinc/16/32/76/1018163276.db2.gz FEEXVWIHFACGAI-QPUJVOFHSA-N -1 0 320.292 -0.462 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001603308923 1018163536 /nfs/dbraw/zinc/16/35/36/1018163536.db2.gz DKEGXWSDFVYBMO-VIFPVBQESA-N -1 0 318.355 -0.854 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@](F)(CO)C2)C1 ZINC001603297379 1018164071 /nfs/dbraw/zinc/16/40/71/1018164071.db2.gz SQZUOPWGPUJCTC-QWHCGFSZSA-N -1 0 302.302 -0.758 20 0 DBADRM CC1(C)[C@H](O)C[C@@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603314767 1018166171 /nfs/dbraw/zinc/16/61/71/1018166171.db2.gz OMFNPTZYLIRVTE-JGVFFNPUSA-N -1 0 310.310 -0.818 20 0 DBADRM CC1(C)C[C@H](NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC001603315295 1018166310 /nfs/dbraw/zinc/16/63/10/1018166310.db2.gz AUUKSNSSLQOMAD-ZJUUUORDSA-N -1 0 314.338 -0.628 20 0 DBADRM CC(C)(C)C[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C(=O)[O-] ZINC001603322539 1018166754 /nfs/dbraw/zinc/16/67/54/1018166754.db2.gz FHTMCVZQQUHJQA-LNFKQOIKSA-N -1 0 301.339 -0.595 20 0 DBADRM CC(C)(C)C[C@@H](NC(=O)c1cnn(C[C@H](O)CO)c1)C(=O)[O-] ZINC001603328517 1018166758 /nfs/dbraw/zinc/16/67/58/1018166758.db2.gz YGPPEUUPOOSMFX-WDEREUQCSA-N -1 0 313.354 -0.145 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCc1nnc2c(=O)[nH]ccn12 ZINC001603321081 1018166830 /nfs/dbraw/zinc/16/68/30/1018166830.db2.gz PIVJFDRERBWOOU-AWEZNQCLSA-N -1 0 319.321 -0.423 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@@H]1O ZINC001603314768 1018166889 /nfs/dbraw/zinc/16/68/89/1018166889.db2.gz OMFNPTZYLIRVTE-SFYZADRCSA-N -1 0 310.310 -0.818 20 0 DBADRM CC(C)(C)C[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C(=O)[O-] ZINC001603322538 1018167733 /nfs/dbraw/zinc/16/77/33/1018167733.db2.gz FHTMCVZQQUHJQA-GWOFURMSSA-N -1 0 301.339 -0.595 20 0 DBADRM CC1(C)[C@@H](NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CS1(=O)=O ZINC001603336555 1018169414 /nfs/dbraw/zinc/16/94/14/1018169414.db2.gz LUAIIDYEVWMBIA-UTLUCORTSA-N -1 0 319.379 -0.052 20 0 DBADRM CC(C)OC1CN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001603348219 1018170126 /nfs/dbraw/zinc/17/01/26/1018170126.db2.gz ZHUBSGSFHGZDKD-UHFFFAOYSA-N -1 0 321.345 -0.723 20 0 DBADRM CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001603345683 1018170930 /nfs/dbraw/zinc/17/09/30/1018170930.db2.gz RBXZIBUBCNRBRS-JTQLQIEISA-N -1 0 323.353 -0.118 20 0 DBADRM C[C@]1(c2nc(-c3cn(CC(=O)[O-])c(=O)[nH]c3=O)no2)CCOC1 ZINC001603348396 1018171414 /nfs/dbraw/zinc/17/14/14/1018171414.db2.gz VRUDPWTYCXVGSZ-ZDUSSCGKSA-N -1 0 322.277 -0.239 20 0 DBADRM CC(C)(C)N1CC[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001603345000 1018171463 /nfs/dbraw/zinc/17/14/63/1018171463.db2.gz YXTUJJIOYKXSOZ-VHSXEESVSA-N -1 0 318.395 -0.431 20 0 DBADRM CC(C)(C)N1C[C@H](C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1=O ZINC001603344314 1018172091 /nfs/dbraw/zinc/17/20/91/1018172091.db2.gz VYWGDSWZWAUUGX-GMTAPVOTSA-N -1 0 312.366 -0.073 20 0 DBADRM CC1(O)CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001603347753 1018172632 /nfs/dbraw/zinc/17/26/32/1018172632.db2.gz ODQXZXJHYQTFLQ-UHFFFAOYSA-N -1 0 310.310 -0.720 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCc2cnccn2)C1 ZINC001603355107 1018173353 /nfs/dbraw/zinc/17/33/53/1018173353.db2.gz NTQSAOWSCNUZMI-WDEREUQCSA-N -1 0 320.349 -0.296 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)C[C@H]2C[C@@H](O)C2)C1 ZINC001603355634 1018173402 /nfs/dbraw/zinc/17/34/02/1018173402.db2.gz UZEMYNLFGUHRDK-NNYUYHANSA-N -1 0 312.366 -0.215 20 0 DBADRM CC1=C(C(=O)Nc2c[nH]nc2C(=O)[O-])Cn2nnnc2N1C ZINC001603352630 1018173778 /nfs/dbraw/zinc/17/37/78/1018173778.db2.gz VXJFRGJJVYBZKQ-UHFFFAOYSA-N -1 0 304.270 -0.543 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ncn(C)n2)C1 ZINC001603355661 1018173969 /nfs/dbraw/zinc/17/39/69/1018173969.db2.gz VJTPGKMTVFVKKI-RKDXNWHRSA-N -1 0 309.326 -1.000 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2nncn2C)C1 ZINC001603355146 1018174094 /nfs/dbraw/zinc/17/40/94/1018174094.db2.gz OMAAZWVBKKICEH-VHSXEESVSA-N -1 0 323.353 -0.657 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NC[C@@H](O)CC(=O)[O-])C1 ZINC001603359161 1018174180 /nfs/dbraw/zinc/17/41/80/1018174180.db2.gz PVQWGKVIBZRRAX-CBAPKCEASA-N -1 0 316.310 -0.575 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCn3cnnc3C2)C1 ZINC001603354428 1018174864 /nfs/dbraw/zinc/17/48/64/1018174864.db2.gz GQJAJHPWVBNXLO-UWVGGRQHSA-N -1 0 321.337 -0.811 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(CCO)C2CCC2)C1 ZINC001603355381 1018175074 /nfs/dbraw/zinc/17/50/74/1018175074.db2.gz QCIRVBZQRFDAOP-MNOVXSKESA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)(C)OC(=O)CCN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001603371415 1018176109 /nfs/dbraw/zinc/17/61/09/1018176109.db2.gz SQRNKVPYDJTMLR-VIFPVBQESA-N -1 0 307.368 -0.098 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2cc(C(=O)[O-])nn2C)CCS1(=O)=O ZINC001603379719 1018176994 /nfs/dbraw/zinc/17/69/94/1018176994.db2.gz BESLGOIRSCDFHO-YUMQZZPRSA-N -1 0 315.351 -0.186 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCO1 ZINC001603375890 1018177054 /nfs/dbraw/zinc/17/70/54/1018177054.db2.gz XBRARHRIVHGGMY-VHSXEESVSA-N -1 0 319.379 -0.050 20 0 DBADRM CC(C)(C)OC(=O)CN1CC[C@H](N[C@@](C)(CO)C(=O)[O-])C1=O ZINC001603373668 1018177679 /nfs/dbraw/zinc/17/76/79/1018177679.db2.gz HGHFGSPFOVZWNJ-XPTSAGLGSA-N -1 0 316.354 -0.646 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2cc(C(=O)[O-])nn2C)CCS1(=O)=O ZINC001603379717 1018177758 /nfs/dbraw/zinc/17/77/58/1018177758.db2.gz BESLGOIRSCDFHO-JGVFFNPUSA-N -1 0 315.351 -0.186 20 0 DBADRM C[C@@H]1C[C@@H](CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC001603375621 1018178476 /nfs/dbraw/zinc/17/84/76/1018178476.db2.gz CTVLYQDDXTVZSF-VWYCJHECSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC001603375735 1018178701 /nfs/dbraw/zinc/17/87/01/1018178701.db2.gz VPMIXMSAZVJWHV-UEKVPHQBSA-N -1 0 312.366 -0.214 20 0 DBADRM CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N[C@H](CO)C(=O)[O-])C1 ZINC001603379554 1018178847 /nfs/dbraw/zinc/17/88/47/1018178847.db2.gz UPALHKJQOHRRFW-RKDXNWHRSA-N -1 0 320.317 -0.247 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)c2cn(CC(=O)[O-])nn2)CS1(=O)=O ZINC001603398197 1018180619 /nfs/dbraw/zinc/18/06/19/1018180619.db2.gz UZUFCLGNKJADOA-YUMQZZPRSA-N -1 0 316.339 -0.942 20 0 DBADRM C[C@H]1CCN(C(=O)NCCOCCOCC(=O)[O-])C[C@H]1CO ZINC001603421797 1018181816 /nfs/dbraw/zinc/18/18/16/1018181816.db2.gz KPEWWKKVLHNCBA-RYUDHWBXSA-N -1 0 318.370 -0.236 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCOCCOCC(=O)[O-])C[C@H]1CO ZINC001603421795 1018181960 /nfs/dbraw/zinc/18/19/60/1018181960.db2.gz KPEWWKKVLHNCBA-NEPJUHHUSA-N -1 0 318.370 -0.236 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(N)=O ZINC001603382659 1018181999 /nfs/dbraw/zinc/18/19/99/1018181999.db2.gz UMDCQVMDNFLAPJ-MRVPVSSYSA-N -1 0 314.327 -0.752 20 0 DBADRM C[C@H]1CC[C@H](CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)O1 ZINC001603395389 1018182755 /nfs/dbraw/zinc/18/27/55/1018182755.db2.gz WPODYBNTVVEHTL-VHSXEESVSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CN(C)CCO2)[C@@H]1C(=O)[O-] ZINC001603415075 1018182781 /nfs/dbraw/zinc/18/27/81/1018182781.db2.gz VQEVFSIQGYVQHL-WOPDTQHZSA-N -1 0 320.411 -0.168 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C[C@@H](C)S1(=O)=O ZINC001603438713 1018184590 /nfs/dbraw/zinc/18/45/90/1018184590.db2.gz DWPFINWZPCTCPU-KBVBSXBZSA-N -1 0 305.352 -0.346 20 0 DBADRM C[C@@H]1CCN(c2nnc([C@H]3CNC(=O)C3)n2C)C[C@@H]1C(=O)[O-] ZINC001603433012 1018185252 /nfs/dbraw/zinc/18/52/52/1018185252.db2.gz BMXUDHJBOCQLIA-BBBLOLIVSA-N -1 0 307.354 -0.034 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)C[C@H]1C(=O)[O-] ZINC001603426154 1018185859 /nfs/dbraw/zinc/18/58/59/1018185859.db2.gz BAQQOQQLSSYCTM-ADEWGFFLSA-N -1 0 311.338 -0.581 20 0 DBADRM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001603434552 1018185946 /nfs/dbraw/zinc/18/59/46/1018185946.db2.gz SEHKEWOVWWXHOR-CABZTGNLSA-N -1 0 320.349 -0.169 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001603449342 1018187627 /nfs/dbraw/zinc/18/76/27/1018187627.db2.gz OCFANEIBQBGJMW-UHFFFAOYSA-N -1 0 302.327 -0.147 20 0 DBADRM C[C@@H]1CN(CN2C[C@H](C(=O)[O-])CC2=O)CCS(=O)(=O)C1 ZINC001603460219 1018188227 /nfs/dbraw/zinc/18/82/27/1018188227.db2.gz AUUAENHQICQPDE-NXEZZACHSA-N -1 0 304.368 -0.757 20 0 DBADRM C[C@H](CC(C)(C)O)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001603451081 1018188598 /nfs/dbraw/zinc/18/85/98/1018188598.db2.gz HMIZMQTXQWTEHM-SSDOTTSWSA-N -1 0 323.357 -0.775 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(CC(=O)[O-])nn2)Cc2cncnc21 ZINC001603452900 1018189429 /nfs/dbraw/zinc/18/94/29/1018189429.db2.gz ATRGKWANYDYJLN-MRVPVSSYSA-N -1 0 302.294 -0.088 20 0 DBADRM CC[C@H](C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)C(=O)OC ZINC001603487727 1018191472 /nfs/dbraw/zinc/19/14/72/1018191472.db2.gz AHIKKVRDCXISFA-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@@H]1COCC[C@H]1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001603474264 1018191594 /nfs/dbraw/zinc/19/15/94/1018191594.db2.gz SXFROGLPWKWQTF-FBIMIBRVSA-N -1 0 317.367 -0.110 20 0 DBADRM C[C@@H]1COCC[C@H]1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001603472620 1018191670 /nfs/dbraw/zinc/19/16/70/1018191670.db2.gz CZGPJMUFPOPZFF-PRULPYPASA-N -1 0 319.379 -0.226 20 0 DBADRM C[C@@H]1CN(c2nnnn2[C@H]2CCN(C)C2=O)CC[C@H]1C(=O)[O-] ZINC001603470832 1018192230 /nfs/dbraw/zinc/19/22/30/1018192230.db2.gz PLTYPUAEDWTPRL-BBBLOLIVSA-N -1 0 308.342 -0.377 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001603479614 1018192520 /nfs/dbraw/zinc/19/25/20/1018192520.db2.gz GMOCRTSVDPUSBD-RFAUZJTJSA-N -1 0 322.317 -0.021 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)N1CC=C(N)N1 ZINC001603485406 1018192617 /nfs/dbraw/zinc/19/26/17/1018192617.db2.gz LYZAAXFMCIYKDN-MRVPVSSYSA-N -1 0 314.342 -0.109 20 0 DBADRM C[C@@H]1COCC[C@@H]1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001603472619 1018193112 /nfs/dbraw/zinc/19/31/12/1018193112.db2.gz CZGPJMUFPOPZFF-HNCHTBHHSA-N -1 0 319.379 -0.226 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001603473866 1018193129 /nfs/dbraw/zinc/19/31/29/1018193129.db2.gz QQIFMMJTCIHQPF-WYUUTHIRSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@H]1[C@H](C(=O)NCC(=O)[O-])[C@H]1C(=O)NCC(=O)OC(C)(C)C ZINC001603481905 1018194065 /nfs/dbraw/zinc/19/40/65/1018194065.db2.gz GVGKWKCMAQWHDA-SWPVVBRQSA-N -1 0 314.338 -0.473 20 0 DBADRM CC(C)(C)OC(=O)c1cnc(C(=O)N[C@@H](CO)C(=O)[O-])cn1 ZINC001603506805 1018195188 /nfs/dbraw/zinc/19/51/88/1018195188.db2.gz KRMRSJKQRVYFRC-VIFPVBQESA-N -1 0 311.294 -0.393 20 0 DBADRM C[C@H](CN1CCOCC1)N(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001603516644 1018198068 /nfs/dbraw/zinc/19/80/68/1018198068.db2.gz CMCIMVQPSMNTON-SNVBAGLBSA-N -1 0 304.358 -0.186 20 0 DBADRM CC[C@@H](CCO)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603550055 1018201092 /nfs/dbraw/zinc/20/10/92/1018201092.db2.gz YHVKUVLXKQZICC-VIFPVBQESA-N -1 0 307.368 -0.457 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CC[C@H](C(C)(C)O)C1)C(=O)[O-] ZINC001603550181 1018202310 /nfs/dbraw/zinc/20/23/10/1018202310.db2.gz ZZMJWRIBGYGVHE-UWVGGRQHSA-N -1 0 300.355 -0.167 20 0 DBADRM CC[C@H](CCO)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603549352 1018202749 /nfs/dbraw/zinc/20/27/49/1018202749.db2.gz QQPSBLBSGNBKNA-SNVBAGLBSA-N -1 0 321.395 -0.209 20 0 DBADRM CC[C@H](Cn1nnnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)OC ZINC001603574824 1018204775 /nfs/dbraw/zinc/20/47/75/1018204775.db2.gz DKPHEJJESYYRMX-GIPNMCIBSA-N -1 0 311.342 -0.365 20 0 DBADRM CC[C@@H](CNC(=O)CCC(=O)N1CCC(O)CC1)C(=O)[O-] ZINC001603553019 1018205928 /nfs/dbraw/zinc/20/59/28/1018205928.db2.gz XVQRVTLYSSDPFI-JTQLQIEISA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@H](COCC1CC1)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001603569156 1018206031 /nfs/dbraw/zinc/20/60/31/1018206031.db2.gz LEWNSRPZMITWLN-QMMMGPOBSA-N -1 0 306.330 -0.611 20 0 DBADRM CC[C@@H](CO)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001603574507 1018206131 /nfs/dbraw/zinc/20/61/31/1018206131.db2.gz DHMQGLXWTSEQKT-QWRGUYRKSA-N -1 0 312.366 -0.071 20 0 DBADRM CC[C@@H](CNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001603560950 1018206430 /nfs/dbraw/zinc/20/64/30/1018206430.db2.gz HVBYKAKGLPJCBC-UWVGGRQHSA-N -1 0 321.399 -0.322 20 0 DBADRM CC(C)(C)n1nnnc1CN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001603574383 1018206915 /nfs/dbraw/zinc/20/69/15/1018206915.db2.gz VGHWMRMLOWDNOI-SECBINFHSA-N -1 0 310.358 -0.407 20 0 DBADRM CC(C)(C)n1nnnc1N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001603575720 1018206937 /nfs/dbraw/zinc/20/69/37/1018206937.db2.gz DBKFNMXGBFYHEB-AWEZNQCLSA-N -1 0 324.385 -0.206 20 0 DBADRM CC(C)(C)n1cnc(C(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001603568641 1018207349 /nfs/dbraw/zinc/20/73/49/1018207349.db2.gz XQZJGZWUASGPQU-UHFFFAOYSA-N -1 0 307.314 -0.247 20 0 DBADRM CC(C)(C)n1nnnc1CN1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001603574384 1018207509 /nfs/dbraw/zinc/20/75/09/1018207509.db2.gz VGHWMRMLOWDNOI-VIFPVBQESA-N -1 0 310.358 -0.407 20 0 DBADRM CC[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(C)(C)O ZINC001603578603 1018210238 /nfs/dbraw/zinc/21/02/38/1018210238.db2.gz RIEMUHDPBOKLQR-ZJUUUORDSA-N -1 0 300.355 -0.025 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001603582324 1018211238 /nfs/dbraw/zinc/21/12/38/1018211238.db2.gz ISCNIPQHNPQKBH-MFKMUULPSA-N -1 0 302.327 -0.770 20 0 DBADRM C[C@@H](NC(=O)C1CC1)[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001603611550 1018211866 /nfs/dbraw/zinc/21/18/66/1018211866.db2.gz TUYQYUSEVVBWTI-JGVFFNPUSA-N -1 0 302.342 -0.206 20 0 DBADRM CC[C@H]1CN(C(=O)c2cn(CC(=O)[O-])nn2)C[C@]2(CCOC2)O1 ZINC001603624240 1018214732 /nfs/dbraw/zinc/21/47/32/1018214732.db2.gz CLEXQTHFKGBOJL-HZMBPMFUSA-N -1 0 324.337 -0.227 20 0 DBADRM CC(C)(CNC(=O)c1c[nH]c(C(=O)[O-])c1)CS(N)(=O)=O ZINC001603638856 1018216316 /nfs/dbraw/zinc/21/63/16/1018216316.db2.gz FUBVZPDGWLYGBJ-UHFFFAOYSA-N -1 0 303.340 -0.243 20 0 DBADRM CC(C)(CNS(C)(=O)=O)NC(=O)c1cccc(C(=O)[O-])n1 ZINC001603647701 1018217004 /nfs/dbraw/zinc/21/70/04/1018217004.db2.gz OCLYGGLQNGSTOW-UHFFFAOYSA-N -1 0 315.351 -0.163 20 0 DBADRM CCCN(C)S(=O)(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603654695 1018218031 /nfs/dbraw/zinc/21/80/31/1018218031.db2.gz BENNGGQWVQZXEN-JTQLQIEISA-N -1 0 321.399 -0.372 20 0 DBADRM CCCN(CC(=O)[O-])[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001603666829 1018219622 /nfs/dbraw/zinc/21/96/22/1018219622.db2.gz UARRLENLQSHQQL-QWRGUYRKSA-N -1 0 320.411 -0.183 20 0 DBADRM CC(C)(NC(=O)C[C@@H]1NC(=O)NC1=O)c1cc(C(=O)[O-])on1 ZINC001603673168 1018219683 /nfs/dbraw/zinc/21/96/83/1018219683.db2.gz IOBHGZCILVCBHY-YFKPBYRVSA-N -1 0 310.266 -0.678 20 0 DBADRM C[C@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)[C@H]1CCOC1 ZINC001603676921 1018220791 /nfs/dbraw/zinc/22/07/91/1018220791.db2.gz NLXMYKCYPHBCRB-IUCAKERBSA-N -1 0 324.366 -0.035 20 0 DBADRM CCCc1cnc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])s1 ZINC001603692889 1018221790 /nfs/dbraw/zinc/22/17/90/1018221790.db2.gz RASOZNJCHNSBHY-GFCCVEGCSA-N -1 0 315.351 -0.014 20 0 DBADRM CC1(NC(=O)Cc2cc[nH]n2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001499975225 1018222616 /nfs/dbraw/zinc/22/26/16/1018222616.db2.gz FLJYTQCFBXIOEI-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM CC(C)(O)CC(=O)NC/C=C\CNc1ccnc(C(=O)[O-])n1 ZINC001603689462 1018223743 /nfs/dbraw/zinc/22/37/43/1018223743.db2.gz HVANLFXHNRIALM-ARJAWSKDSA-N -1 0 308.338 -0.158 20 0 DBADRM CC(C)(c1nnc(C(=O)N2CC[C@H]2C(=O)[O-])o1)S(C)(=O)=O ZINC001603698076 1018225706 /nfs/dbraw/zinc/22/57/06/1018225706.db2.gz WZPOIDATTHVQNV-LURJTMIESA-N -1 0 317.323 -0.352 20 0 DBADRM CC(C)=CC(=O)N(CCO)CCNc1ccnc(C(=O)[O-])n1 ZINC001603697756 1018228174 /nfs/dbraw/zinc/22/81/74/1018228174.db2.gz PEGXHWKHBMRMIS-UHFFFAOYSA-N -1 0 308.338 -0.204 20 0 DBADRM CCN(C(=O)C(=O)Nc1cncc(C(=O)[O-])c1)[C@H]1CCNC1=O ZINC001603705873 1018229462 /nfs/dbraw/zinc/22/94/62/1018229462.db2.gz PPNBGDKMBQKREF-JTQLQIEISA-N -1 0 320.305 -0.545 20 0 DBADRM CCN(C(=O)C(=O)Nc1ccn(CCOC)n1)[C@@H](C)C(=O)[O-] ZINC001603706328 1018229741 /nfs/dbraw/zinc/22/97/41/1018229741.db2.gz YJWPVZWSKIFIKP-VIFPVBQESA-N -1 0 312.326 -0.210 20 0 DBADRM CCN(C(=O)c1cn(Cc2noc(C)n2)nn1)[C@H](C)C(=O)[O-] ZINC001603714266 1018230195 /nfs/dbraw/zinc/23/01/95/1018230195.db2.gz FHKYEQACXSLUQP-SSDOTTSWSA-N -1 0 308.298 -0.047 20 0 DBADRM CCN(CCS(C)(=O)=O)C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001603747274 1018232132 /nfs/dbraw/zinc/23/21/32/1018232132.db2.gz GQRQRBLWXSLZNL-VIFPVBQESA-N -1 0 322.383 -0.941 20 0 DBADRM CCN(CC)C(=O)[C@H]1CSCN1C(=O)COCC(=O)[O-] ZINC001603722478 1018232192 /nfs/dbraw/zinc/23/21/92/1018232192.db2.gz KTEYBLRKMFZWGZ-SECBINFHSA-N -1 0 304.368 -0.143 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001603725819 1018232477 /nfs/dbraw/zinc/23/24/77/1018232477.db2.gz YUCZJHBGZIIPIB-JTQLQIEISA-N -1 0 313.354 -0.706 20 0 DBADRM CCN(C)C(=O)Cn1nnnc1N1CCC[C@@H](CC(=O)[O-])C1 ZINC001603724728 1018233503 /nfs/dbraw/zinc/23/35/03/1018233503.db2.gz UKKMYJPDZWRSSB-JTQLQIEISA-N -1 0 310.358 -0.158 20 0 DBADRM C[C@@H](c1nc(-c2ccncn2)no1)n1cnc(-c2nnn[n-]2)n1 ZINC001603738715 1018233526 /nfs/dbraw/zinc/23/35/26/1018233526.db2.gz JQZIHLSLAKPYFB-LURJTMIESA-N -1 0 311.269 -0.093 20 0 DBADRM CCN(CCO)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603739160 1018233815 /nfs/dbraw/zinc/23/38/15/1018233815.db2.gz JWBGFECVBJBTIJ-JTQLQIEISA-N -1 0 301.343 -0.524 20 0 DBADRM CCN1CCC[C@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)C1=O ZINC001603760542 1018235475 /nfs/dbraw/zinc/23/54/75/1018235475.db2.gz XZONGPBWANHDNN-NSHDSACASA-N -1 0 321.333 -0.326 20 0 DBADRM CC(C)[C@@H]1CCN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001603752313 1018235539 /nfs/dbraw/zinc/23/55/39/1018235539.db2.gz AEFNPAVUJMRPLD-GRYCIOLGSA-N -1 0 312.366 -0.215 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1 ZINC001603763380 1018236735 /nfs/dbraw/zinc/23/67/35/1018236735.db2.gz ANBIQQNFFPUNKQ-HNNXBMFYSA-N -1 0 311.382 -0.232 20 0 DBADRM CCN1C[C@@H](C(=O)NCCOCCOCC(=O)[O-])CC1=O ZINC001603756134 1018237186 /nfs/dbraw/zinc/23/71/86/1018237186.db2.gz FMPXNRRBJFHSGS-JTQLQIEISA-N -1 0 302.327 -0.911 20 0 DBADRM CCN(OC)C(=O)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001603756896 1018236837 /nfs/dbraw/zinc/23/68/37/1018236837.db2.gz QRAVKUKZTPKDGI-UHFFFAOYSA-N -1 0 324.293 -0.756 20 0 DBADRM CCN1C[C@H](NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1=O ZINC001603757366 1018237136 /nfs/dbraw/zinc/23/71/36/1018237136.db2.gz XZUXSCNVBOSZIG-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(C)C[C@H](NC(=O)CN[C@H](CO)c1cnn(C)c1)C(=O)[O-] ZINC001603777222 1018238344 /nfs/dbraw/zinc/23/83/44/1018238344.db2.gz SIWUITXCXJNQRE-NWDGAFQWSA-N -1 0 312.370 -0.341 20 0 DBADRM CCNC(=O)CN(CC)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603767951 1018238429 /nfs/dbraw/zinc/23/84/29/1018238429.db2.gz IRRBGCIFPIXCND-JTQLQIEISA-N -1 0 313.354 -0.706 20 0 DBADRM CCOC(=O)[C@H](F)C1CN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001603779582 1018239263 /nfs/dbraw/zinc/23/92/63/1018239263.db2.gz FKHNQOOQQWPAMJ-SNVBAGLBSA-N -1 0 314.273 -0.664 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001603768766 1018239988 /nfs/dbraw/zinc/23/99/88/1018239988.db2.gz YZRYCMLELXSWTI-SECBINFHSA-N -1 0 315.370 -0.556 20 0 DBADRM CCOC(=O)N1C[C@H](NC(=O)NC[C@@H](C)C(=O)[O-])[C@@H](CO)C1 ZINC001603800499 1018241881 /nfs/dbraw/zinc/24/18/81/1018241881.db2.gz DAMRUMGWVNIOCN-BBBLOLIVSA-N -1 0 317.342 -0.545 20 0 DBADRM CCOC(=O)C1(O)CCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001603787600 1018242821 /nfs/dbraw/zinc/24/28/21/1018242821.db2.gz VQGCVHGTOWTAOM-JTQLQIEISA-N -1 0 314.338 -0.938 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)C2(C(=O)[O-])CCOCC2)CCO1 ZINC001603792240 1018242917 /nfs/dbraw/zinc/24/29/17/1018242917.db2.gz NFBZJZXCFYBHQS-SNVBAGLBSA-N -1 0 315.322 -0.342 20 0 DBADRM CC1(C)OCC[C@@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001603795823 1018243242 /nfs/dbraw/zinc/24/32/42/1018243242.db2.gz ZRIICLQTPLHTEY-MRVPVSSYSA-N -1 0 306.330 -0.611 20 0 DBADRM CCOC(=O)[C@@H]1CSCCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001603791850 1018243495 /nfs/dbraw/zinc/24/34/95/1018243495.db2.gz AGEDDYZXQGUWEZ-DTWKUNHWSA-N -1 0 316.335 -0.277 20 0 DBADRM CCOC(=O)N[C@H]1CCCN([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001603803740 1018243739 /nfs/dbraw/zinc/24/37/39/1018243739.db2.gz YKUNWBBMAQFZCU-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM CCOC(=O)C[C@H](CO)NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001603793082 1018243871 /nfs/dbraw/zinc/24/38/71/1018243871.db2.gz AWBQGUUVUGTBHI-SNVBAGLBSA-N -1 0 317.338 -0.312 20 0 DBADRM CCOC(=O)c1nc[nH]c1CNC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001603810249 1018245197 /nfs/dbraw/zinc/24/51/97/1018245197.db2.gz DQBREJSWCYPYNQ-CYBMUJFWSA-N -1 0 311.294 -0.164 20 0 DBADRM CCOC(=O)c1cnn2c1nccc2C(=O)OCC(=O)C(=O)[O-] ZINC001603818778 1018245633 /nfs/dbraw/zinc/24/56/33/1018245633.db2.gz JRTPSXJOJHXMBC-UHFFFAOYSA-N -1 0 321.245 -0.284 20 0 DBADRM CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)c3cn(CC(=O)[O-])nn3)C[C@@H]21 ZINC001603806022 1018246225 /nfs/dbraw/zinc/24/62/25/1018246225.db2.gz IYSQJERAWIDVRM-VDDIYKPWSA-N -1 0 322.321 -0.366 20 0 DBADRM C[C@H]1[C@H](CO)CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001603835802 1018249641 /nfs/dbraw/zinc/24/96/41/1018249641.db2.gz OYCGUHRAGMLASK-IUCAKERBSA-N -1 0 306.330 -0.922 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2coc(-c3nn[nH]n3)c2)C(=O)N1C ZINC001603830102 1018249996 /nfs/dbraw/zinc/24/99/96/1018249996.db2.gz GAYYZHCAMKQUFK-RXMQYKEDSA-N -1 0 305.254 -0.613 20 0 DBADRM CC(C)CSCCNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001603831564 1018250187 /nfs/dbraw/zinc/25/01/87/1018250187.db2.gz OUUOZWHHTOSHHY-UHFFFAOYSA-N -1 0 304.368 -0.850 20 0 DBADRM C[C@H]1[C@@H](CO)CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001603835799 1018250239 /nfs/dbraw/zinc/25/02/39/1018250239.db2.gz OYCGUHRAGMLASK-DTWKUNHWSA-N -1 0 306.330 -0.922 20 0 DBADRM CCO[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001603850301 1018253002 /nfs/dbraw/zinc/25/30/02/1018253002.db2.gz WFSHRBIWQZKYLA-DTORHVGOSA-N -1 0 310.310 -0.410 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001603858791 1018253698 /nfs/dbraw/zinc/25/36/98/1018253698.db2.gz HADSKPLONARXKE-SECBINFHSA-N -1 0 305.356 -0.347 20 0 DBADRM C[C@@H]1C[C@@H](CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001603845404 1018254006 /nfs/dbraw/zinc/25/40/06/1018254006.db2.gz CVOLXBGBQBEMFP-ZJUUUORDSA-N -1 0 320.357 -0.220 20 0 DBADRM C[C@@H]1C[C@@H](C)N(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001603846354 1018254050 /nfs/dbraw/zinc/25/40/50/1018254050.db2.gz IZSJFFKXFYSFQM-RKDXNWHRSA-N -1 0 305.346 -0.102 20 0 DBADRM CCOc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])[nH]n1 ZINC001603857917 1018254745 /nfs/dbraw/zinc/25/47/45/1018254745.db2.gz VYLQKICARXGGKX-MRVPVSSYSA-N -1 0 317.323 -0.868 20 0 DBADRM CC1CC(C(=O)NCCNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001603844706 1018255415 /nfs/dbraw/zinc/25/54/15/1018255415.db2.gz IRNHGHRRAIZBCU-UHFFFAOYSA-N -1 0 302.342 -0.347 20 0 DBADRM C[C@H]1C[C@H](C)N(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001603846352 1018255688 /nfs/dbraw/zinc/25/56/88/1018255688.db2.gz IZSJFFKXFYSFQM-IUCAKERBSA-N -1 0 305.346 -0.102 20 0 DBADRM C[C@@H]1CC[C@H](C)CN1c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001603873836 1018257264 /nfs/dbraw/zinc/25/72/64/1018257264.db2.gz CLNROMVQMSZHLS-JGVFFNPUSA-N -1 0 305.342 -0.122 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1=O ZINC001603888581 1018258104 /nfs/dbraw/zinc/25/81/04/1018258104.db2.gz ZJDUMGJDHPAXDX-GUBZILKMSA-N -1 0 311.338 -0.909 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1=O ZINC001603887655 1018258114 /nfs/dbraw/zinc/25/81/14/1018258114.db2.gz SJKYMLDIAKCMHC-TURQNECASA-N -1 0 312.322 -0.483 20 0 DBADRM CCS(=O)(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001603893878 1018258678 /nfs/dbraw/zinc/25/86/78/1018258678.db2.gz BPYQQMXWPQOQAY-XEVUQIKYSA-N -1 0 305.352 -0.078 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001603894535 1018258734 /nfs/dbraw/zinc/25/87/34/1018258734.db2.gz RHZPHEQTMIFWRU-PSASIEDQSA-N -1 0 306.384 -0.069 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)C1 ZINC001603885837 1018258763 /nfs/dbraw/zinc/25/87/63/1018258763.db2.gz QYSILENBWVSGAY-VHSXEESVSA-N -1 0 319.379 -0.098 20 0 DBADRM CNC(=O)CC(=O)NC[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001500176495 1018259205 /nfs/dbraw/zinc/25/92/05/1018259205.db2.gz FAWISGPVAOJEHE-ZETCQYMHSA-N -1 0 311.342 -0.958 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001603895261 1018260730 /nfs/dbraw/zinc/26/07/30/1018260730.db2.gz QURAEKMQLWAADX-QMMMGPOBSA-N -1 0 314.385 -0.476 20 0 DBADRM CC(C)NC(=O)[C@@H](C)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001603897049 1018260823 /nfs/dbraw/zinc/26/08/23/1018260823.db2.gz XUBVSIKIDJYIFB-VGMNWLOBSA-N -1 0 316.358 -0.824 20 0 DBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC(C(=O)[O-])C2)c1 ZINC001603904590 1018261536 /nfs/dbraw/zinc/26/15/36/1018261536.db2.gz DIDDZANBVPZQRU-UHFFFAOYSA-N -1 0 315.351 -0.142 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CCn1ncn(C)c1=O ZINC001603916494 1018262209 /nfs/dbraw/zinc/26/22/09/1018262209.db2.gz CLCVQFBLPYAXMJ-JTQLQIEISA-N -1 0 314.342 -0.692 20 0 DBADRM C[C@@H]1CN(CCNc2ccnc(-c3nnn[n-]3)n2)[C@H](C)CO1 ZINC001603936129 1018264705 /nfs/dbraw/zinc/26/47/05/1018264705.db2.gz HWQUNECRVAFBLM-NXEZZACHSA-N -1 0 304.358 -0.400 20 0 DBADRM CC[C@H](C)[C@H](NS(=O)(=O)C[C@H]1CN(C)CCO1)C(=O)[O-] ZINC001603938581 1018265180 /nfs/dbraw/zinc/26/51/80/1018265180.db2.gz YETWHJKKNARIFM-AXFHLTTASA-N -1 0 308.400 -0.264 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001603967138 1018269364 /nfs/dbraw/zinc/26/93/64/1018269364.db2.gz MSAGICUWVGQRIN-BXUZGUMPSA-N -1 0 300.355 -0.609 20 0 DBADRM CC[C@H](NC(=O)c1nnn(Cc2noc(C)n2)c1C)C(=O)[O-] ZINC001603954752 1018269614 /nfs/dbraw/zinc/26/96/14/1018269614.db2.gz HALJTHHARWSYBB-QMMMGPOBSA-N -1 0 308.298 -0.081 20 0 DBADRM CCC(=O)C1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001603965992 1018270870 /nfs/dbraw/zinc/27/08/70/1018270870.db2.gz UENZFJIJUFFWOJ-UHFFFAOYSA-N -1 0 304.314 -0.666 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001603967240 1018271673 /nfs/dbraw/zinc/27/16/73/1018271673.db2.gz PGQYDVOKSYXJOI-MWLCHTKSSA-N -1 0 308.338 -0.374 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC[C@@H]1C(=O)NC1CC1)C(=O)[O-] ZINC001603973311 1018273120 /nfs/dbraw/zinc/27/31/20/1018273120.db2.gz XGDZAQSXBGTCSL-YPMHNXCESA-N -1 0 311.382 -0.045 20 0 DBADRM CCc1nc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(C)o1 ZINC001603980694 1018274731 /nfs/dbraw/zinc/27/47/31/1018274731.db2.gz NOYRHBNKBSXDCM-QMMMGPOBSA-N -1 0 316.335 -0.131 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001603979625 1018275673 /nfs/dbraw/zinc/27/56/73/1018275673.db2.gz AREOOVLTQSVUNF-JTQLQIEISA-N -1 0 309.326 -0.273 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCN2C(=O)OCC[C@H]2C1)C(=O)[O-] ZINC001603973429 1018276014 /nfs/dbraw/zinc/27/60/14/1018276014.db2.gz YPRKHDLKWLNTOZ-JQWIXIFHSA-N -1 0 313.354 -0.262 20 0 DBADRM CCn1cnc2c1CCN(CCS(=O)(=O)CC(=O)[O-])C2 ZINC001604018624 1018278669 /nfs/dbraw/zinc/27/86/69/1018278669.db2.gz XBPGVJQLGBAAHK-UHFFFAOYSA-N -1 0 301.368 -0.240 20 0 DBADRM CN(C)CCN(CC(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001604064049 1018290111 /nfs/dbraw/zinc/29/01/11/1018290111.db2.gz GXMCQCIFHJRJGX-SNVBAGLBSA-N -1 0 321.399 -0.827 20 0 DBADRM CCn1cc(S(=O)(=O)N(CCC(=O)OC)CC(=O)[O-])cn1 ZINC001604018359 1018279736 /nfs/dbraw/zinc/27/97/36/1018279736.db2.gz ZVZCABHCSFFSHT-UHFFFAOYSA-N -1 0 319.339 -0.459 20 0 DBADRM CC[C@@H](C[C@H](C)CO)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001604014956 1018280242 /nfs/dbraw/zinc/28/02/42/1018280242.db2.gz BJLMFFVZDJACFT-IUCAKERBSA-N -1 0 308.346 -0.629 20 0 DBADRM CN(C(=O)COC(=O)c1cccn(CC(=O)[O-])c1=O)C1CC1 ZINC001604029093 1018280746 /nfs/dbraw/zinc/28/07/46/1018280746.db2.gz ZTTWZEAWWBKIMI-UHFFFAOYSA-N -1 0 308.290 -0.290 20 0 DBADRM CN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001604040529 1018282870 /nfs/dbraw/zinc/28/28/70/1018282870.db2.gz CMXKBIBBEXFNMS-SFYZADRCSA-N -1 0 301.324 -0.794 20 0 DBADRM CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)NCC(=O)[O-] ZINC001604046509 1018283330 /nfs/dbraw/zinc/28/33/30/1018283330.db2.gz XZXJEYMQHJPHDE-UHFFFAOYSA-N -1 0 311.269 -0.333 20 0 DBADRM CN(C)C(=O)c1ccc(NC(=O)c2cn(CC(=O)[O-])nn2)nc1 ZINC001604046513 1018284629 /nfs/dbraw/zinc/28/46/29/1018284629.db2.gz LYHRFLAZJRWLPJ-UHFFFAOYSA-N -1 0 318.293 -0.288 20 0 DBADRM CN(C)C(=O)CCCn1nnnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001604041597 1018284907 /nfs/dbraw/zinc/28/49/07/1018284907.db2.gz SJNVKBGAFHIOLR-JTQLQIEISA-N -1 0 310.358 -0.158 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001604055958 1018286084 /nfs/dbraw/zinc/28/60/84/1018286084.db2.gz RTNALIPUIPNLCH-FGEFZZPRSA-N -1 0 308.338 -0.083 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1coc(CS(C)(=O)=O)n1 ZINC001604058886 1018287141 /nfs/dbraw/zinc/28/71/41/1018287141.db2.gz HXQYRXFAKTUPPD-SDLBARTOSA-N -1 0 302.308 -0.022 20 0 DBADRM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN[C@@](C)(CO)C(=O)[O-] ZINC001604051639 1018287364 /nfs/dbraw/zinc/28/73/64/1018287364.db2.gz PQLDLRYTKKKYKH-OTYXRUKQSA-N -1 0 310.354 -0.360 20 0 DBADRM C[C@@H](C1CC1)n1nccc1NC(=O)CN[C@](C)(CO)C(=O)[O-] ZINC001604051638 1018288465 /nfs/dbraw/zinc/28/84/65/1018288465.db2.gz PQLDLRYTKKKYKH-LKFCYVNXSA-N -1 0 310.354 -0.360 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)C1CN(S(C)(=O)=O)C1)C1CC1 ZINC001604078852 1018289154 /nfs/dbraw/zinc/28/91/54/1018289154.db2.gz KJHHCSIXACPCLR-LBPRGKRZSA-N -1 0 304.368 -0.363 20 0 DBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CCC(=O)[O-] ZINC001604075291 1018289453 /nfs/dbraw/zinc/28/94/53/1018289453.db2.gz AZTYCYLUDREHEK-UHFFFAOYSA-N -1 0 316.401 -0.996 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)NCC1(C(=O)[O-])CCC1 ZINC001604083483 1018289493 /nfs/dbraw/zinc/28/94/93/1018289493.db2.gz KVIZFFHNCMQYJS-SFHVURJKSA-N -1 0 313.401 -0.350 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CN[C@]2(C(=O)[O-])CCOC2)o1 ZINC001604083155 1018292803 /nfs/dbraw/zinc/29/28/03/1018292803.db2.gz FVILCKWHPHFMDM-GFCCVEGCSA-N -1 0 318.351 -0.137 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC001604103914 1018295579 /nfs/dbraw/zinc/29/55/79/1018295579.db2.gz QVEOYONMLQWLPY-NWDGAFQWSA-N -1 0 302.371 -0.361 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001604094238 1018295652 /nfs/dbraw/zinc/29/56/52/1018295652.db2.gz LKHLFHKCJQPIQN-BBBLOLIVSA-N -1 0 306.384 -0.069 20 0 DBADRM CC[C@@H]1CCCN1C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001604105785 1018296004 /nfs/dbraw/zinc/29/60/04/1018296004.db2.gz LIGOPAGZPKTHQJ-MRVPVSSYSA-N -1 0 319.325 -0.470 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001604124968 1018297140 /nfs/dbraw/zinc/29/71/40/1018297140.db2.gz HIYVTQAMNWWAFU-HLTSFMKQSA-N -1 0 321.337 -0.833 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001604125647 1018301682 /nfs/dbraw/zinc/30/16/82/1018301682.db2.gz XDNLRJIXUODSOE-BDAKNGLRSA-N -1 0 321.337 -0.619 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(=O)[O-] ZINC001604209449 1018321684 /nfs/dbraw/zinc/32/16/84/1018321684.db2.gz HCMKPMSWMONYTP-YIZRAAEISA-N -1 0 306.340 -0.533 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001604125271 1018303237 /nfs/dbraw/zinc/30/32/37/1018303237.db2.gz NAYJHZSEZKNLTP-DTWKUNHWSA-N -1 0 309.326 -0.349 20 0 DBADRM C[C@](CCF)(NC(=O)[C@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001604140950 1018303251 /nfs/dbraw/zinc/30/32/51/1018303251.db2.gz XKZAVDYMULUNHX-JVXZTZIISA-N -1 0 300.290 -0.135 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@H](c2nccn2C)C1 ZINC001604133806 1018303303 /nfs/dbraw/zinc/30/33/03/1018303303.db2.gz JPWHLCHCHAJKPJ-JTQLQIEISA-N -1 0 308.338 -0.331 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1COC(=O)N1 ZINC001604141432 1018303696 /nfs/dbraw/zinc/30/36/96/1018303696.db2.gz HROVRYGIIJGINS-HTQZYQBOSA-N -1 0 323.309 -0.988 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@@H](C)CCNc1ccnc(C(=O)[O-])n1 ZINC001604140961 1018304015 /nfs/dbraw/zinc/30/40/15/1018304015.db2.gz CPHFKOTWGYKZGG-GXSJLCMTSA-N -1 0 310.354 -0.080 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001604125272 1018304033 /nfs/dbraw/zinc/30/40/33/1018304033.db2.gz NAYJHZSEZKNLTP-IUCAKERBSA-N -1 0 309.326 -0.349 20 0 DBADRM CCC[C@@H](C)NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001604138527 1018304334 /nfs/dbraw/zinc/30/43/34/1018304334.db2.gz ZRXFBUBOLKSMSU-SSDOTTSWSA-N -1 0 307.314 -0.566 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1ccnc(C(=O)[O-])n1 ZINC001604153349 1018306102 /nfs/dbraw/zinc/30/61/02/1018306102.db2.gz JBJURRLQZITGFF-RKDXNWHRSA-N -1 0 321.337 -0.866 20 0 DBADRM C[C@@H](CN(C(=O)C1CN(S(C)(=O)=O)C1)C1CC1)C(=O)[O-] ZINC001604149446 1018306385 /nfs/dbraw/zinc/30/63/85/1018306385.db2.gz ABPRDYNQZMEHBP-QMMMGPOBSA-N -1 0 304.368 -0.411 20 0 DBADRM CCC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)n1C)c1nnn[n-]1 ZINC001604144231 1018306460 /nfs/dbraw/zinc/30/64/60/1018306460.db2.gz HOVOSSZVJJLFAG-SSDOTTSWSA-N -1 0 316.329 -0.011 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)c1cn(C)cn1 ZINC001604141686 1018307354 /nfs/dbraw/zinc/30/73/54/1018307354.db2.gz KFKHLAHHRZEVPM-SECBINFHSA-N -1 0 318.337 -0.049 20 0 DBADRM C[C@H](CN(C(=O)Cn1ncn2nccc2c1=O)C1CC1)C(=O)[O-] ZINC001604150009 1018307456 /nfs/dbraw/zinc/30/74/56/1018307456.db2.gz NBBYTBQPNQUIHV-SECBINFHSA-N -1 0 319.321 -0.397 20 0 DBADRM C[C@H](CS(=O)(=O)NCc1nc(C(F)(F)F)n[nH]1)C(=O)[O-] ZINC001604208219 1018321781 /nfs/dbraw/zinc/32/17/81/1018321781.db2.gz AQXPKFUSNQFLRG-SCSAIBSYSA-N -1 0 316.261 -0.036 20 0 DBADRM C[C@H](CCNC(=O)[C@H]1CCC(=O)N1)Nc1ccnc(C(=O)[O-])n1 ZINC001604141582 1018307798 /nfs/dbraw/zinc/30/77/98/1018307798.db2.gz JOHVDVFEDGWTKW-RKDXNWHRSA-N -1 0 321.337 -0.818 20 0 DBADRM CN(CCCCO)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001604168285 1018308854 /nfs/dbraw/zinc/30/88/54/1018308854.db2.gz ARHASGAXPFTWRM-NSHDSACASA-N -1 0 300.355 -0.069 20 0 DBADRM CCCC[C@](C)(CO)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001604162609 1018309527 /nfs/dbraw/zinc/30/95/27/1018309527.db2.gz XTTBSPFDWXJNHT-GFCCVEGCSA-N -1 0 308.346 -0.484 20 0 DBADRM C[C@@H](CN1CCOCC1)C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001604166382 1018309613 /nfs/dbraw/zinc/30/96/13/1018309613.db2.gz AQEOUHRSCOKTPT-NWDGAFQWSA-N -1 0 300.355 -0.343 20 0 DBADRM CN(CCCNC(=O)C1CCC1)C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001604169114 1018309678 /nfs/dbraw/zinc/30/96/78/1018309678.db2.gz YICAEFKSLWMHTA-NSHDSACASA-N -1 0 311.338 -0.019 20 0 DBADRM CN(CCCCO)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001604168373 1018309890 /nfs/dbraw/zinc/30/98/90/1018309890.db2.gz HOTVHWDGPNTBPI-NSHDSACASA-N -1 0 315.370 -0.134 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-])S(C)(=O)=O ZINC001604169970 1018310510 /nfs/dbraw/zinc/31/05/10/1018310510.db2.gz XSQKHKYVJFCLQW-DTWKUNHWSA-N -1 0 320.367 -0.999 20 0 DBADRM C[C@H](CNC(=O)Cn1cncn1)Nc1ncc(C(=O)[O-])cn1 ZINC001604174708 1018311814 /nfs/dbraw/zinc/31/18/14/1018311814.db2.gz VGPGNYPOILKXLG-MRVPVSSYSA-N -1 0 305.298 -0.617 20 0 DBADRM C[C@H](CNC(=O)N1CC(O)(C(=O)[O-])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001604174743 1018311967 /nfs/dbraw/zinc/31/19/67/1018311967.db2.gz XHPDWTAXDNRNPY-MXWKQRLJSA-N -1 0 315.370 -0.675 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCNC1=O)N(C)c1ccnc(C(=O)[O-])n1 ZINC001604172778 1018311983 /nfs/dbraw/zinc/31/19/83/1018311983.db2.gz DRHPDLMQOBCCNT-RKDXNWHRSA-N -1 0 321.337 -0.748 20 0 DBADRM C[C@@H](CNC(=O)[C@@H](C)CC(N)=O)CNc1ncc(C(=O)[O-])cn1 ZINC001604172205 1018312494 /nfs/dbraw/zinc/31/24/94/1018312494.db2.gz SCGXNSSKUIQBGE-IUCAKERBSA-N -1 0 323.353 -0.150 20 0 DBADRM C[C@@H](CNC(=O)Cc1nc[nH]n1)N(C)c1ncc(C(=O)[O-])cn1 ZINC001604174635 1018312821 /nfs/dbraw/zinc/31/28/21/1018312821.db2.gz SHFDHTZRFZGGCW-QMMMGPOBSA-N -1 0 319.325 -0.524 20 0 DBADRM C[C@H](CNC(=O)Cn1cccc(C(=O)[O-])c1=O)S(C)(=O)=O ZINC001604174670 1018312898 /nfs/dbraw/zinc/31/28/98/1018312898.db2.gz UFWMDVIFQPOWAS-MRVPVSSYSA-N -1 0 316.335 -0.904 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCOC1)CNc1ccnc(C(=O)[O-])n1 ZINC001604173182 1018313184 /nfs/dbraw/zinc/31/31/84/1018313184.db2.gz NTIZQZQCAQOFLE-UWVGGRQHSA-N -1 0 308.338 -0.203 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001604177703 1018313765 /nfs/dbraw/zinc/31/37/65/1018313765.db2.gz ZEUXIUJAULQUFX-ARJAWSKDSA-N -1 0 316.335 -0.001 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1cnn(C)c1 ZINC001604190020 1018313823 /nfs/dbraw/zinc/31/38/23/1018313823.db2.gz HVTUAADIOWHQPM-SECBINFHSA-N -1 0 318.337 -0.097 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001604181295 1018313907 /nfs/dbraw/zinc/31/39/07/1018313907.db2.gz SNTOWWWCHIQTOI-IONNQARKSA-N -1 0 307.310 -0.630 20 0 DBADRM C[C@](CO)(NC(=O)CCCNC(=O)c1cccnc1)C(=O)[O-] ZINC001604190573 1018313985 /nfs/dbraw/zinc/31/39/85/1018313985.db2.gz JKSSZZYOQOIXGW-CQSZACIVSA-N -1 0 309.322 -0.457 20 0 DBADRM CN(Cc1cccc(C(N)=O)c1)C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001604188701 1018314013 /nfs/dbraw/zinc/31/40/13/1018314013.db2.gz LKNJSVLTNLVVFX-LLVKDONJSA-N -1 0 305.290 -0.027 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001500308001 1018314541 /nfs/dbraw/zinc/31/45/41/1018314541.db2.gz JOISOBGYMHTJCT-BQBZGAKWSA-N -1 0 315.305 -0.487 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C[NH+]1CCN(C)CC1 ZINC001604183635 1018314722 /nfs/dbraw/zinc/31/47/22/1018314722.db2.gz NMXHPXQYBQAOPP-XQQFMLRXSA-N -1 0 313.398 -0.382 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001500308012 1018314737 /nfs/dbraw/zinc/31/47/37/1018314737.db2.gz JOISOBGYMHTJCT-RQJHMYQMSA-N -1 0 315.305 -0.487 20 0 DBADRM C[C@](CO)(NC(=O)CNC(=O)NC1CCCCC1)C(=O)[O-] ZINC001604190077 1018315140 /nfs/dbraw/zinc/31/51/40/1018315140.db2.gz GEGSTGBFWIWFCJ-CYBMUJFWSA-N -1 0 301.343 -0.430 20 0 DBADRM CN(CCn1cccn1)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001604181678 1018315244 /nfs/dbraw/zinc/31/52/44/1018315244.db2.gz XIYXXVGRMVLCCK-CQSZACIVSA-N -1 0 308.338 -0.335 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H](C(N)=O)c1ccccn1)C(=O)[O-] ZINC001604210189 1018323403 /nfs/dbraw/zinc/32/34/03/1018323403.db2.gz LLUYOTGBIOWPHA-VXNVDRBHSA-N -1 0 301.324 -0.752 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)N(C)C(=O)c1cn(C)nn1 ZINC001604189493 1018315832 /nfs/dbraw/zinc/31/58/32/1018315832.db2.gz APGBWJVEUVKONC-MRVPVSSYSA-N -1 0 319.325 -0.124 20 0 DBADRM CN1C(=O)NCC12CCN(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)CC2 ZINC001604196786 1018316472 /nfs/dbraw/zinc/31/64/72/1018316472.db2.gz PLLDUIDGNFGDBD-VIFPVBQESA-N -1 0 310.310 -0.768 20 0 DBADRM C[C@@](CO)(NC(=O)CN1C(=O)CCc2ccccc21)C(=O)[O-] ZINC001604191768 1018316886 /nfs/dbraw/zinc/31/68/86/1018316886.db2.gz QKPOFTIOCVEOFP-HNNXBMFYSA-N -1 0 306.318 -0.082 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)Cn1ccnc1 ZINC001604191478 1018316939 /nfs/dbraw/zinc/31/69/39/1018316939.db2.gz WABQGQBJFZPGSZ-SNVBAGLBSA-N -1 0 318.337 -0.248 20 0 DBADRM C[C@@](CO)(NC(=O)Cn1nnnc1-c1ccccc1)C(=O)[O-] ZINC001604193121 1018317167 /nfs/dbraw/zinc/31/71/67/1018317167.db2.gz DWSBRYCVYODHIN-ZDUSSCGKSA-N -1 0 305.294 -0.708 20 0 DBADRM CN(Cc1nnc2n1CCN(C)C2=O)C(=O)CCCC(=O)[O-] ZINC001604195724 1018317190 /nfs/dbraw/zinc/31/71/90/1018317190.db2.gz UPPUHFUVEIZLGU-UHFFFAOYSA-N -1 0 309.326 -0.423 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001604191249 1018317478 /nfs/dbraw/zinc/31/74/78/1018317478.db2.gz MQBPNTICBAFQJW-UHFFFAOYSA-N -1 0 309.384 -0.458 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1ccc2c(c1)C(=O)CC2)C(=O)[O-] ZINC001604199201 1018319006 /nfs/dbraw/zinc/31/90/06/1018319006.db2.gz VPMYWTRMQOWBHA-CYBMUJFWSA-N -1 0 313.331 -0.071 20 0 DBADRM C[C@@H](CO)CCCNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001604199234 1018319127 /nfs/dbraw/zinc/31/91/27/1018319127.db2.gz WWPIIUMTCBJDIS-UTLUCORTSA-N -1 0 303.359 -0.328 20 0 DBADRM CN1CC[C@H](C(=O)O[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1=O ZINC001604202590 1018319356 /nfs/dbraw/zinc/31/93/56/1018319356.db2.gz HPMFUEFIAJJAOR-VHSXEESVSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1C[C@@H](CCn2nnnc2N2CC[C@@](C)(C(=O)[O-])C2)CC1=O ZINC001604200843 1018319805 /nfs/dbraw/zinc/31/98/05/1018319805.db2.gz JGSYGNBHYQAJGS-IINYFYTJSA-N -1 0 322.369 -0.158 20 0 DBADRM CN1CC(=O)Nc2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cnc21 ZINC001604200553 1018320255 /nfs/dbraw/zinc/32/02/55/1018320255.db2.gz DQGAWZPGYRUMPD-SNVBAGLBSA-N -1 0 320.305 -0.605 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@H](C(N)=O)c1ccccn1)C(=O)[O-] ZINC001604210185 1018322227 /nfs/dbraw/zinc/32/22/27/1018322227.db2.gz LLUYOTGBIOWPHA-APPZFPTMSA-N -1 0 301.324 -0.752 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)C(=O)[O-] ZINC001604206489 1018322712 /nfs/dbraw/zinc/32/27/12/1018322712.db2.gz LUHHFUJDUHVQIO-GHMZBOCLSA-N -1 0 322.427 -0.186 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1)C(=O)[O-] ZINC001604207001 1018322831 /nfs/dbraw/zinc/32/28/31/1018322831.db2.gz VTSSZZBEQSPMAZ-VGMNWLOBSA-N -1 0 313.397 -0.456 20 0 DBADRM C[C@@H](CS(=O)(=O)NC[C@@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC001604210615 1018323745 /nfs/dbraw/zinc/32/37/45/1018323745.db2.gz XYRNNBZTNXDSSE-IUCAKERBSA-N -1 0 307.372 -0.583 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001604211865 1018326524 /nfs/dbraw/zinc/32/65/24/1018326524.db2.gz YSXMFGMINBPAOG-CABZTGNLSA-N -1 0 307.368 -0.193 20 0 DBADRM CCC[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1)C(=O)[O-] ZINC001604237647 1018328467 /nfs/dbraw/zinc/32/84/67/1018328467.db2.gz SHIZHBQRDPYWGZ-ZCFIWIBFSA-N -1 0 315.311 -0.009 20 0 DBADRM CNC(=O)CN1CCN(C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC001604237152 1018328986 /nfs/dbraw/zinc/32/89/86/1018328986.db2.gz XPVKGSMPRVCPFD-UHFFFAOYSA-N -1 0 321.337 -0.325 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001604231800 1018329571 /nfs/dbraw/zinc/32/95/71/1018329571.db2.gz HNLXBYSKGCQOLW-OPRDCNLKSA-N -1 0 313.354 -0.804 20 0 DBADRM CNC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC001604231913 1018329692 /nfs/dbraw/zinc/32/96/92/1018329692.db2.gz KCLVBCJCFCCQQU-NXEZZACHSA-N -1 0 313.354 -0.946 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001604231872 1018330022 /nfs/dbraw/zinc/33/00/22/1018330022.db2.gz ISNIHCFPOMWWGR-BBBLOLIVSA-N -1 0 319.383 -0.716 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)Nc2ccnc(C(=O)[O-])c2)CCO1 ZINC001604232006 1018330067 /nfs/dbraw/zinc/33/00/67/1018330067.db2.gz LCNRRZVLCWMVEA-JTQLQIEISA-N -1 0 308.294 -0.242 20 0 DBADRM CNC(=O)[C@H](CCSC)NC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001604239772 1018330242 /nfs/dbraw/zinc/33/02/42/1018330242.db2.gz BVVNARZLBKBSHF-LURJTMIESA-N -1 0 300.340 -0.295 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001604236816 1018330658 /nfs/dbraw/zinc/33/06/58/1018330658.db2.gz JJFGIBVKROJJEJ-UHFFFAOYSA-N -1 0 321.333 -0.153 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C(=O)[O-] ZINC001604241984 1018332415 /nfs/dbraw/zinc/33/24/15/1018332415.db2.gz HIVAKDLNLWOHBV-ISTVAULSSA-N -1 0 308.338 -0.256 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001604248493 1018332515 /nfs/dbraw/zinc/33/25/15/1018332515.db2.gz FHOVZTKJTNRFEZ-VHSXEESVSA-N -1 0 309.326 -0.894 20 0 DBADRM CNC(=O)N1CCN(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CC1 ZINC001604241533 1018332843 /nfs/dbraw/zinc/33/28/43/1018332843.db2.gz ZFKBUVYUJGVCCV-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(Cc2cc(C(=O)[O-])nn2C)C1 ZINC001604249732 1018334280 /nfs/dbraw/zinc/33/42/80/1018334280.db2.gz QFAUMEFQIJAQPA-JTQLQIEISA-N -1 0 316.383 -0.368 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccn(C)n1 ZINC001604256376 1018334992 /nfs/dbraw/zinc/33/49/92/1018334992.db2.gz PIKUYOARMWJGDN-OPRDCNLKSA-N -1 0 308.338 -0.224 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001604249973 1018335463 /nfs/dbraw/zinc/33/54/63/1018335463.db2.gz VTHLWBHOCLZGAK-JTQLQIEISA-N -1 0 321.399 -0.178 20 0 DBADRM COC(=O)[C@H](C)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604262375 1018336013 /nfs/dbraw/zinc/33/60/13/1018336013.db2.gz FIVSNUYAKZWNSG-RKDXNWHRSA-N -1 0 300.311 -0.765 20 0 DBADRM COC(=O)C(C)(C)N1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC1 ZINC001604262285 1018336263 /nfs/dbraw/zinc/33/62/63/1018336263.db2.gz CHPDARXYHHAKRN-CQSZACIVSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001604267361 1018336696 /nfs/dbraw/zinc/33/66/96/1018336696.db2.gz GWAWBGIMRPPZGU-HGNGGELXSA-N -1 0 314.294 -0.557 20 0 DBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001604267910 1018337999 /nfs/dbraw/zinc/33/79/99/1018337999.db2.gz PKJDTNPPGJPUPN-QWRGUYRKSA-N -1 0 324.337 -0.173 20 0 DBADRM COC(=O)[C@@H](Cn1cncn1)NC(=O)C1(C(=O)[O-])CC=CC1 ZINC001604268924 1018338696 /nfs/dbraw/zinc/33/86/96/1018338696.db2.gz ZHNQCOKEJPNVQD-SECBINFHSA-N -1 0 308.294 -0.643 20 0 DBADRM C[C@@H](NC(=O)CN1CCSC[C@H]1C(=O)[O-])C(=O)N(C)C ZINC001604275819 1018339093 /nfs/dbraw/zinc/33/90/93/1018339093.db2.gz SWSFOZVGMZPLOD-BDAKNGLRSA-N -1 0 303.384 -0.919 20 0 DBADRM COC(=O)[C@@]1(C)C[C@@H](OC)CN1CCS(=O)(=O)CC(=O)[O-] ZINC001604272734 1018339376 /nfs/dbraw/zinc/33/93/76/1018339376.db2.gz ZEHGZIAOCOFDPG-BXKDBHETSA-N -1 0 323.367 -0.862 20 0 DBADRM CCN(CC(N)=O)C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001604276397 1018339518 /nfs/dbraw/zinc/33/95/18/1018339518.db2.gz BTMHQXXCMCMBBV-UHFFFAOYSA-N -1 0 305.298 -0.777 20 0 DBADRM COC(=O)[C@]1(N2CCN(C(=O)[C@@H](C)C(=O)[O-])CC2)CCOC1 ZINC001604275472 1018340023 /nfs/dbraw/zinc/34/00/23/1018340023.db2.gz BOHPWOCPLQHVOI-YGRLFVJLSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@H](NC(=O)CN1CCSC[C@@H]1C(=O)[O-])C(=O)N(C)C ZINC001604275822 1018340088 /nfs/dbraw/zinc/34/00/88/1018340088.db2.gz SWSFOZVGMZPLOD-DTWKUNHWSA-N -1 0 303.384 -0.919 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])CCC1 ZINC001604275762 1018340270 /nfs/dbraw/zinc/34/02/70/1018340270.db2.gz LHCGQHFMDVYSMP-MRVPVSSYSA-N -1 0 307.324 -0.803 20 0 DBADRM COC(=O)C1(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC001604276016 1018340544 /nfs/dbraw/zinc/34/05/44/1018340544.db2.gz RCJXNXOBASXPMT-QMMMGPOBSA-N -1 0 306.340 -0.677 20 0 DBADRM C[C@H](NC(=O)Cn1ccc(C(=O)[O-])n1)c1nnc2n1CCC2 ZINC001604276609 1018340783 /nfs/dbraw/zinc/34/07/83/1018340783.db2.gz CCUMZJYPRMIEML-QMMMGPOBSA-N -1 0 304.310 -0.004 20 0 DBADRM C[C@@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)[C@@H](O)C(F)(F)F ZINC001604277282 1018341228 /nfs/dbraw/zinc/34/12/28/1018341228.db2.gz KLVABPHYRXWTBR-HZGVNTEJSA-N -1 0 322.239 -0.026 20 0 DBADRM COC(=O)C1=CC[C@@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001604279834 1018341907 /nfs/dbraw/zinc/34/19/07/1018341907.db2.gz FYDMAKURPUBSMW-RWSFTLGLSA-N -1 0 324.333 -0.009 20 0 DBADRM C[C@H](NC(=O)Cn1cncn1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604277967 1018342489 /nfs/dbraw/zinc/34/24/89/1018342489.db2.gz UMHZQQSFVHTMPZ-IUCAKERBSA-N -1 0 319.325 -0.807 20 0 DBADRM C[C@H](NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)c1nnnn1C ZINC001604286782 1018342593 /nfs/dbraw/zinc/34/25/93/1018342593.db2.gz OOALRHJDEZLYRV-MWODSPESSA-N -1 0 324.341 -0.596 20 0 DBADRM C[C@@H](NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC001604283107 1018342782 /nfs/dbraw/zinc/34/27/82/1018342782.db2.gz PDJYJROYMODUSS-QCNOEVLYSA-N -1 0 315.370 -0.411 20 0 DBADRM C[C@@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)c1nccn1C ZINC001604287638 1018343530 /nfs/dbraw/zinc/34/35/30/1018343530.db2.gz LPWPJCCIPKYRJX-MRVPVSSYSA-N -1 0 307.314 -0.230 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)Cn1cncn1)C[C@H]2C(=O)[O-] ZINC001604283220 1018343775 /nfs/dbraw/zinc/34/37/75/1018343775.db2.gz DYEIJMGERRMTCQ-XIRUVYRFSA-N -1 0 322.321 -0.610 20 0 DBADRM COC(=O)C1=NOC2(C1)CCN(C(=O)[C@@H](OC)C(=O)[O-])CC2 ZINC001604280308 1018344398 /nfs/dbraw/zinc/34/43/98/1018344398.db2.gz NOBPGVWOZPPAJP-SECBINFHSA-N -1 0 314.294 -0.604 20 0 DBADRM COC(=O)[C@H]1CSCCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001604293903 1018345454 /nfs/dbraw/zinc/34/54/54/1018345454.db2.gz ZTNLZFBWMJXYME-SFYZADRCSA-N -1 0 302.308 -0.667 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)/C=C/c1cnc(OC)nc1 ZINC001604303427 1018345645 /nfs/dbraw/zinc/34/56/45/1018345645.db2.gz MXPPWCKLHACITH-ONEGZZNKSA-N -1 0 323.305 -0.025 20 0 DBADRM COC(=O)[C@@H]1CSCCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001604292620 1018345787 /nfs/dbraw/zinc/34/57/87/1018345787.db2.gz JLCYGIUJNALBBB-UWVGGRQHSA-N -1 0 316.379 -0.285 20 0 DBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC001604292762 1018345976 /nfs/dbraw/zinc/34/59/76/1018345976.db2.gz MAKYLPGMJYYRNS-JTQLQIEISA-N -1 0 321.289 -0.764 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CCCC(=O)N1C ZINC001604303549 1018346260 /nfs/dbraw/zinc/34/62/60/1018346260.db2.gz QWHSOBDSDKYHPK-SECBINFHSA-N -1 0 300.311 -0.526 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H](NC(C)=O)C(C)C ZINC001604302766 1018346271 /nfs/dbraw/zinc/34/62/71/1018346271.db2.gz APQHRWDQKIRAFI-LBPRGKRZSA-N -1 0 302.327 -0.377 20 0 DBADRM COC(=O)[C@H]1CSCCN(CN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC001604292619 1018347252 /nfs/dbraw/zinc/34/72/52/1018347252.db2.gz JLCYGIUJNALBBB-NXEZZACHSA-N -1 0 316.379 -0.285 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001604303500 1018347562 /nfs/dbraw/zinc/34/75/62/1018347562.db2.gz OLYCDPGXOIKHBF-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM C[C@@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1nnc2c(=O)[nH]ccn21 ZINC001604306266 1018348235 /nfs/dbraw/zinc/34/82/35/1018348235.db2.gz NWWXMLYZBIVYEG-PRJMDXOYSA-N -1 0 305.294 -0.294 20 0 DBADRM C[C@](NC(=O)c1cn(CC(N)=O)nn1)(C(=O)[O-])c1ccccc1 ZINC001604316432 1018348439 /nfs/dbraw/zinc/34/84/39/1018348439.db2.gz NHCUOQCKDNYTJD-CQSZACIVSA-N -1 0 317.305 -0.507 20 0 DBADRM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@H](CO)C(=O)[O-] ZINC001604306930 1018348488 /nfs/dbraw/zinc/34/84/88/1018348488.db2.gz KIHIRYMIOHAGAM-GMSGAONNSA-N -1 0 320.305 -0.757 20 0 DBADRM C[C@@](NC(=O)c1cn(CC(N)=O)nn1)(C(=O)[O-])c1ccccc1 ZINC001604316428 1018349134 /nfs/dbraw/zinc/34/91/34/1018349134.db2.gz NHCUOQCKDNYTJD-AWEZNQCLSA-N -1 0 317.305 -0.507 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001604312389 1018349595 /nfs/dbraw/zinc/34/95/95/1018349595.db2.gz AFQWUAXDGRSBSY-WCBMZHEXSA-N -1 0 321.293 -0.741 20 0 DBADRM C[C@H](NC(=O)c1cnn(C)n1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604315423 1018350246 /nfs/dbraw/zinc/35/02/46/1018350246.db2.gz ARIXUVSIYRIABZ-YUMQZZPRSA-N -1 0 319.325 -0.656 20 0 DBADRM COC(=O)CN(C(=O)[C@H]1CC(C(=O)[O-])=NO1)C1CCOCC1 ZINC001604326244 1018350943 /nfs/dbraw/zinc/35/09/43/1018350943.db2.gz MZFASGNDFRRECR-SNVBAGLBSA-N -1 0 314.294 -0.604 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)Cc1ccon1)C(=O)[O-] ZINC001604322714 1018351256 /nfs/dbraw/zinc/35/12/56/1018351256.db2.gz ZZNOGKOVSHNPOH-QMMMGPOBSA-N -1 0 306.296 -0.500 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H](C)N1C(=O)CCC1=O)C(=O)[O-] ZINC001604317951 1018351513 /nfs/dbraw/zinc/35/15/13/1018351513.db2.gz KYTNAHZDIHLQIY-YUMQZZPRSA-N -1 0 314.294 -0.954 20 0 DBADRM CCN(CCO)S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001604318548 1018352042 /nfs/dbraw/zinc/35/20/42/1018352042.db2.gz ASOZBXWDUKHKKG-UHFFFAOYSA-N -1 0 303.369 -0.069 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H]1CCCc2nn[nH]c21)C(=O)[O-] ZINC001604317605 1018352086 /nfs/dbraw/zinc/35/20/86/1018352086.db2.gz CHUSLFUTCJBARQ-CBAPKCEASA-N -1 0 310.310 -0.253 20 0 DBADRM C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C(=O)NCCF ZINC001604349788 1018355206 /nfs/dbraw/zinc/35/52/06/1018355206.db2.gz AVXSRNCMAKEOOH-QMMMGPOBSA-N -1 0 310.347 -0.365 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1cnn2cccnc12)C(=O)[O-] ZINC001604322706 1018352281 /nfs/dbraw/zinc/35/22/81/1018352281.db2.gz ZOJCEIQTEPCCIZ-VIFPVBQESA-N -1 0 306.278 -0.135 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H]1CCC[C@H](C(N)=O)C1)C(=O)[O-] ZINC001604318297 1018352315 /nfs/dbraw/zinc/35/23/15/1018352315.db2.gz RWGJQNOCFLTIST-GUBZILKMSA-N -1 0 314.338 -0.199 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)CC1(N(C)C)CC1)C(=O)[O-] ZINC001604321967 1018352548 /nfs/dbraw/zinc/35/25/48/1018352548.db2.gz HQZHQAQPGRLMFR-VIFPVBQESA-N -1 0 322.383 -0.594 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1cc(C)c(C(N)=O)cn1)C(=O)[O-] ZINC001604320753 1018353261 /nfs/dbraw/zinc/35/32/61/1018353261.db2.gz IJSKWQKJIAPEPZ-VIFPVBQESA-N -1 0 323.305 -0.375 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001604318041 1018353367 /nfs/dbraw/zinc/35/33/67/1018353367.db2.gz MAEDZWANEZWXNW-NSHDSACASA-N -1 0 316.354 -0.081 20 0 DBADRM CCN1CCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001604344039 1018353915 /nfs/dbraw/zinc/35/39/15/1018353915.db2.gz HFQHSJOXWPWGIE-UWVGGRQHSA-N -1 0 319.373 -0.428 20 0 DBADRM COC(=O)[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(C)C ZINC001604348021 1018354639 /nfs/dbraw/zinc/35/46/39/1018354639.db2.gz HFGQXQDJNDMAIV-ONGXEEELSA-N -1 0 314.338 -0.377 20 0 DBADRM CCN1CC[C@H](OC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1=O ZINC001604340935 1018356211 /nfs/dbraw/zinc/35/62/11/1018356211.db2.gz PBMXQFYILMXAEP-YUMQZZPRSA-N -1 0 320.313 -0.817 20 0 DBADRM C[C@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)[C@H]1CN(C)CCO1 ZINC001604349172 1018356561 /nfs/dbraw/zinc/35/65/61/1018356561.db2.gz LDBBGHLCMRADIV-VHSXEESVSA-N -1 0 306.384 -0.368 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C(=O)[O-])c1cccnc1 ZINC001604359519 1018357642 /nfs/dbraw/zinc/35/76/42/1018357642.db2.gz VYBJCPSTEFQUNK-CBAPKCEASA-N -1 0 301.324 -0.739 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C[C@H]1C ZINC001604359522 1018358460 /nfs/dbraw/zinc/35/84/60/1018358460.db2.gz LFMQHZQBUYPMLC-BBBLOLIVSA-N -1 0 320.367 -0.479 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2cccc(-c3nn[nH]n3)c2)c1[O-] ZINC001604372107 1018360972 /nfs/dbraw/zinc/36/09/72/1018360972.db2.gz UJMRKTUBPLHREA-SECBINFHSA-N -1 0 316.277 -0.145 20 0 DBADRM CCOC(=O)[C@H](C)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604360595 1018361443 /nfs/dbraw/zinc/36/14/43/1018361443.db2.gz DHJQVTUBUUJTGQ-HTQZYQBOSA-N -1 0 322.329 -0.665 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccnc(NC(=O)C2CC2)c1)C(=O)[O-] ZINC001604373164 1018361541 /nfs/dbraw/zinc/36/15/41/1018361541.db2.gz DVQZYDNSRGBVJO-CQSZACIVSA-N -1 0 307.306 -0.005 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)NCCCC(=O)[O-] ZINC001604366406 1018362128 /nfs/dbraw/zinc/36/21/28/1018362128.db2.gz VQXXCCLQNUBLGG-UHFFFAOYSA-N -1 0 305.312 -0.352 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)C1 ZINC001604361403 1018363444 /nfs/dbraw/zinc/36/34/44/1018363444.db2.gz MNBKMDHYGBRJQV-VHSKPIJISA-N -1 0 307.324 -0.899 20 0 DBADRM CC(=O)NCC[C@@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001500623163 1018363901 /nfs/dbraw/zinc/36/39/01/1018363901.db2.gz DVOKHGYNKAJVNQ-JTQLQIEISA-N -1 0 311.342 -0.403 20 0 DBADRM CC(C)(C)N1CCC[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])C1=O ZINC001604373456 1018364207 /nfs/dbraw/zinc/36/42/07/1018364207.db2.gz HATKKNXYYIJGNW-LKFCYVNXSA-N -1 0 300.355 -0.025 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)on1 ZINC001604375903 1018364595 /nfs/dbraw/zinc/36/45/95/1018364595.db2.gz DJWMLUFEIGPQQI-UHFFFAOYSA-N -1 0 318.307 -0.054 20 0 DBADRM C[C@](O)(CO)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001604376904 1018364782 /nfs/dbraw/zinc/36/47/82/1018364782.db2.gz VFZDWWYTTYTCNV-CQSZACIVSA-N -1 0 310.306 -0.888 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C1 ZINC001604379806 1018365624 /nfs/dbraw/zinc/36/56/24/1018365624.db2.gz HZASLBMDLPBCHP-ZVXAKGHKSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@](O)(CO)CNC(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC001604377012 1018365974 /nfs/dbraw/zinc/36/59/74/1018365974.db2.gz ZHCUNTZHWRDGNJ-NSHDSACASA-N -1 0 318.355 -0.190 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001604378692 1018366142 /nfs/dbraw/zinc/36/61/42/1018366142.db2.gz NMVRIIVFFARCRE-GAIPPQHRSA-N -1 0 312.366 -0.169 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cn1C ZINC001604374896 1018366184 /nfs/dbraw/zinc/36/61/84/1018366184.db2.gz HTIKNNMQFPCJDO-SECBINFHSA-N -1 0 323.305 -0.174 20 0 DBADRM C[C@@](O)(CO)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001604376101 1018366300 /nfs/dbraw/zinc/36/63/00/1018366300.db2.gz HGTXSNPAMHETQF-ZDUSSCGKSA-N -1 0 314.269 -0.678 20 0 DBADRM CC(C)(C)N1CCC[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])C1=O ZINC001604373458 1018366381 /nfs/dbraw/zinc/36/63/81/1018366381.db2.gz HATKKNXYYIJGNW-XPTSAGLGSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@@](O)(CNC(=O)[C@@]1(C)Oc2ccccc2NC1=O)C(=O)[O-] ZINC001604373896 1018366701 /nfs/dbraw/zinc/36/67/01/1018366701.db2.gz PNNPAQVGYIFEAM-ZIAGYGMSSA-N -1 0 308.290 -0.272 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)c2ccoc2CC(=O)[O-])CC1 ZINC001604380310 1018367238 /nfs/dbraw/zinc/36/72/38/1018367238.db2.gz ZETJTADPKQJQTO-VIFPVBQESA-N -1 0 310.306 -0.428 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)COCc2ocnc2C(=O)[O-])CCO1 ZINC001604381511 1018367412 /nfs/dbraw/zinc/36/74/12/1018367412.db2.gz WTQGAMZDFQWPCA-BDAKNGLRSA-N -1 0 314.294 -0.502 20 0 DBADRM C[C@H](O)CN(C(=O)Nc1cc(C(=O)[O-])nn1C)[C@@H](C)CO ZINC001604386190 1018367622 /nfs/dbraw/zinc/36/76/22/1018367622.db2.gz CZWSCTDRISTHGM-YUMQZZPRSA-N -1 0 300.315 -0.286 20 0 DBADRM C[C@H](O)CN1CCN(S(=O)(=O)CCCCCC(=O)[O-])CC1 ZINC001604387007 1018368244 /nfs/dbraw/zinc/36/82/44/1018368244.db2.gz IIRDMFQIWFNDMW-LBPRGKRZSA-N -1 0 322.427 -0.040 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001604384901 1018368539 /nfs/dbraw/zinc/36/85/39/1018368539.db2.gz YPQXECZLRIHLAJ-KQSJRHEJSA-N -1 0 312.366 -0.169 20 0 DBADRM C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001604386751 1018369099 /nfs/dbraw/zinc/36/90/99/1018369099.db2.gz DBGNARFFHFQFAG-MMWGEVLESA-N -1 0 314.338 -0.941 20 0 DBADRM C[C@@H](O)CN(C(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)C1CC1 ZINC001604384742 1018369332 /nfs/dbraw/zinc/36/93/32/1018369332.db2.gz XDFCINBBPXWMMC-GMTAPVOTSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@H](OC(=O)C1(C)COC(C)(C)OC1)C(=O)NCC(=O)[O-] ZINC001604394837 1018371370 /nfs/dbraw/zinc/37/13/70/1018371370.db2.gz SNAJZWCVQRLWMD-QMMMGPOBSA-N -1 0 303.311 -0.092 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1 ZINC001604400824 1018372104 /nfs/dbraw/zinc/37/21/04/1018372104.db2.gz AUUWSHDOOSJNDX-QMMMGPOBSA-N -1 0 319.339 -0.210 20 0 DBADRM C[C@@H](OC(=O)CCc1ccccc1C(N)=O)C(=O)NCC(=O)[O-] ZINC001604396887 1018372186 /nfs/dbraw/zinc/37/21/86/1018372186.db2.gz CHGDKIRUUKVKBF-SECBINFHSA-N -1 0 322.317 -0.149 20 0 DBADRM C[C@@H](OC(=O)C1(C)COC(C)(C)OC1)C(=O)NCC(=O)[O-] ZINC001604394836 1018372442 /nfs/dbraw/zinc/37/24/42/1018372442.db2.gz SNAJZWCVQRLWMD-MRVPVSSYSA-N -1 0 303.311 -0.092 20 0 DBADRM COC(=O)c1csc(CN2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC001604410798 1018373625 /nfs/dbraw/zinc/37/36/25/1018373625.db2.gz GCSINZYQTRMYGY-UHFFFAOYSA-N -1 0 313.335 -0.342 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001604411210 1018373887 /nfs/dbraw/zinc/37/38/87/1018373887.db2.gz UQMFDZIQIUOWAU-QMMMGPOBSA-N -1 0 312.278 -0.089 20 0 DBADRM C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1)C(=O)C(=O)[O-] ZINC001604402244 1018375700 /nfs/dbraw/zinc/37/57/00/1018375700.db2.gz NGIGWJBARIZMCQ-QMMMGPOBSA-N -1 0 315.303 -0.450 20 0 DBADRM COC(=O)c1coc([C@@H](C)N2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC001604402857 1018375782 /nfs/dbraw/zinc/37/57/82/1018375782.db2.gz BWBKGQKPNAWFRF-MRVPVSSYSA-N -1 0 311.294 -0.249 20 0 DBADRM CCO[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001604412298 1018376049 /nfs/dbraw/zinc/37/60/49/1018376049.db2.gz ORRGRDVTUUNZQL-MRVPVSSYSA-N -1 0 321.341 -0.741 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCNC(=O)[C@H]1c1ccccc1F ZINC001604420750 1018377050 /nfs/dbraw/zinc/37/70/50/1018377050.db2.gz CNIPECIEZAWMHN-MNOVXSKESA-N -1 0 310.281 -0.075 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1cc(=O)n(-c2ccccc2)n1C ZINC001604431481 1018379694 /nfs/dbraw/zinc/37/96/94/1018379694.db2.gz CGHXAUJHOUWYLV-CYBMUJFWSA-N -1 0 319.317 -0.108 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cc(C)c(-c2nn[nH]n2)cn1 ZINC001604438272 1018379926 /nfs/dbraw/zinc/37/99/26/1018379926.db2.gz SLDNFFGRVRVCTE-UHFFFAOYSA-N -1 0 305.298 -0.632 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC001604424818 1018380715 /nfs/dbraw/zinc/38/07/15/1018380715.db2.gz VLWXETDHTUGHRM-WRWORJQWSA-N -1 0 319.260 -0.080 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCCNS(=O)(=O)c1cccs1 ZINC001604432655 1018380733 /nfs/dbraw/zinc/38/07/33/1018380733.db2.gz UQTUBXSTAQFNPA-MRVPVSSYSA-N -1 0 322.364 -0.758 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCC1(O)CCC2(CC1)OCCO2 ZINC001604433105 1018381321 /nfs/dbraw/zinc/38/13/21/1018381321.db2.gz YNGMSBSIFWKYOH-VIFPVBQESA-N -1 0 303.311 -0.750 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC001604432567 1018381879 /nfs/dbraw/zinc/38/18/79/1018381879.db2.gz RZTZDSKOGYUIAX-LBPRGKRZSA-N -1 0 312.297 -0.300 20 0 DBADRM CCO[N-]C(=O)CNC(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC001604438300 1018381931 /nfs/dbraw/zinc/38/19/31/1018381931.db2.gz UGGMMSPSYWTAFZ-UHFFFAOYSA-N -1 0 320.309 -0.571 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1ncc(Br)cn1 ZINC001604434783 1018382490 /nfs/dbraw/zinc/38/24/90/1018382490.db2.gz NIDQCELMAXEGOI-SSDOTTSWSA-N -1 0 304.100 -0.045 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)OC[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001604461347 1018382956 /nfs/dbraw/zinc/38/29/56/1018382956.db2.gz IDNZGOQGZHPLTF-BXKDBHETSA-N -1 0 323.367 -0.309 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)O[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC001604446169 1018383557 /nfs/dbraw/zinc/38/35/57/1018383557.db2.gz PACYLGIJWOVDDY-VHSXEESVSA-N -1 0 311.294 -0.442 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 ZINC001604442512 1018383660 /nfs/dbraw/zinc/38/36/60/1018383660.db2.gz VSPKFMPPRBTYMY-VIFPVBQESA-N -1 0 317.323 -0.630 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CC(c2[nH]nc3c2COCC3)C1 ZINC001604450389 1018383869 /nfs/dbraw/zinc/38/38/69/1018383869.db2.gz HJMCLSLALWUWJV-AWEZNQCLSA-N -1 0 309.322 -0.102 20 0 DBADRM C[C@H](Sc1ccccc1C(=O)N[C@@H](CO)C(=O)[O-])C(N)=O ZINC001604455602 1018383974 /nfs/dbraw/zinc/38/39/74/1018383974.db2.gz GGGCAQOIHNJCOQ-CBAPKCEASA-N -1 0 312.347 -0.172 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC001604455046 1018384045 /nfs/dbraw/zinc/38/40/45/1018384045.db2.gz LZRIUBCIBRHDJE-AWEZNQCLSA-N -1 0 315.370 -0.901 20 0 DBADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H](CO)C(=O)[O-])C(N)=O ZINC001604455600 1018384565 /nfs/dbraw/zinc/38/45/65/1018384565.db2.gz GGGCAQOIHNJCOQ-APPZFPTMSA-N -1 0 312.347 -0.172 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC(CN2CCNC2=O)CC1 ZINC001604451713 1018385299 /nfs/dbraw/zinc/38/52/99/1018385299.db2.gz XYIJHLDIRMPMBM-CQSZACIVSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@H](c1cnn(C)c1)n1nnnc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001604475464 1018385960 /nfs/dbraw/zinc/38/59/60/1018385960.db2.gz KXSSGSQKQDRZIG-CPOMMVLXSA-N -1 0 303.326 -0.217 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)OCc1nc2c(cnn2C)c(=O)[nH]1 ZINC001604473254 1018386580 /nfs/dbraw/zinc/38/65/80/1018386580.db2.gz UJLIXQPKTAKZIZ-GFCCVEGCSA-N -1 0 310.266 -0.398 20 0 DBADRM COC1(C(=O)Nc2ncccc2C(=O)[O-])CS(=O)(=O)C1 ZINC001604481321 1018387588 /nfs/dbraw/zinc/38/75/88/1018387588.db2.gz UHUBDYHKQCBPFU-UHFFFAOYSA-N -1 0 300.292 -0.468 20 0 DBADRM COC(CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)OC ZINC001604470874 1018387639 /nfs/dbraw/zinc/38/76/39/1018387639.db2.gz FTNSTJOCOMSMMP-UHFFFAOYSA-N -1 0 309.340 -0.999 20 0 DBADRM CO[C@H](CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C1CC1 ZINC001604471747 1018388083 /nfs/dbraw/zinc/38/80/83/1018388083.db2.gz YXGFBURGNHMMPL-SNVBAGLBSA-N -1 0 319.379 -0.193 20 0 DBADRM CO[C@H](C)[C@@H](C)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001604472089 1018388249 /nfs/dbraw/zinc/38/82/49/1018388249.db2.gz RZAFHRQTZXCSFF-RKDXNWHRSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@@]1(C(=O)NCCCNc2ncc(C(=O)[O-])cn2)CCNC1=O ZINC001604487638 1018390430 /nfs/dbraw/zinc/39/04/30/1018390430.db2.gz ZZPJAZCWTCVFSV-AWEZNQCLSA-N -1 0 321.337 -0.381 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCNC(=O)CC2)C1 ZINC001604489515 1018390759 /nfs/dbraw/zinc/39/07/59/1018390759.db2.gz GJZNQCFXVGNGNR-CQSZACIVSA-N -1 0 311.338 -0.952 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CCOC1 ZINC001604487487 1018390928 /nfs/dbraw/zinc/39/09/28/1018390928.db2.gz OEAOYJRSHKKLFV-KBPBESRZSA-N -1 0 314.338 -0.769 20 0 DBADRM COC1(c2cnnn2C)CN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001604491864 1018392000 /nfs/dbraw/zinc/39/20/00/1018392000.db2.gz SDJUKPATGXDBBX-ZDUSSCGKSA-N -1 0 310.310 -0.867 20 0 DBADRM CO[C@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)[C@@](C)(CO)C1 ZINC001604504564 1018394139 /nfs/dbraw/zinc/39/41/39/1018394139.db2.gz CLIRRVQDNGHKQN-MEBBXXQBSA-N -1 0 324.333 -0.455 20 0 DBADRM CO[C@H]1COCC[C@@H]1N(C)C(=O)C(=O)NCCCC(=O)[O-] ZINC001604505206 1018394303 /nfs/dbraw/zinc/39/43/03/1018394303.db2.gz QULYAGUSNPBASL-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM COCC(=O)Nc1cccc(CNC(=O)[C@@H](OC)C(=O)[O-])c1 ZINC001604505528 1018394582 /nfs/dbraw/zinc/39/45/82/1018394582.db2.gz ZTBRQXWRFGKQLQ-GFCCVEGCSA-N -1 0 310.306 -0.013 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)OCc1oncc1C(=O)[O-] ZINC001604507278 1018394676 /nfs/dbraw/zinc/39/46/76/1018394676.db2.gz PJHXQDUJWZSSIK-UHFFFAOYSA-N -1 0 311.250 -0.254 20 0 DBADRM CC1(C)CC(=O)NCCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001604512560 1018394852 /nfs/dbraw/zinc/39/48/52/1018394852.db2.gz SHEXHZMUZGRMFN-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001604501801 1018394941 /nfs/dbraw/zinc/39/49/41/1018394941.db2.gz FTFLSXHSZWWJQE-NEPJUHHUSA-N -1 0 312.366 -0.201 20 0 DBADRM COC[C@](C)(O)CCNC(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001604507637 1018395220 /nfs/dbraw/zinc/39/52/20/1018395220.db2.gz KLEHNUAGWIKZHP-ZIAGYGMSSA-N -1 0 318.370 -0.093 20 0 DBADRM COC[C@@](C)(O)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001604507841 1018395672 /nfs/dbraw/zinc/39/56/72/1018395672.db2.gz RLGKSVKQMWEWBL-URQSVNDISA-N -1 0 301.339 -0.088 20 0 DBADRM COCC(=O)Nc1cccc(CNC(=O)[C@H](OC)C(=O)[O-])c1 ZINC001604505529 1018395724 /nfs/dbraw/zinc/39/57/24/1018395724.db2.gz ZTBRQXWRFGKQLQ-LBPRGKRZSA-N -1 0 310.306 -0.013 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccnc2)C1 ZINC001604523195 1018396666 /nfs/dbraw/zinc/39/66/66/1018396666.db2.gz NPWXTFLAMVCTJS-AWEZNQCLSA-N -1 0 307.306 -0.030 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H](C)OC)C1 ZINC001604524013 1018397904 /nfs/dbraw/zinc/39/79/04/1018397904.db2.gz ZJSBZTSAPQGMSQ-NOZJJQNGSA-N -1 0 302.327 -0.913 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)NCCC(=O)NCCC(=O)[O-])CO1 ZINC001604519926 1018397923 /nfs/dbraw/zinc/39/79/23/1018397923.db2.gz WZYRQZZBPPQOGV-VIFPVBQESA-N -1 0 322.383 -0.546 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001604522672 1018397996 /nfs/dbraw/zinc/39/79/96/1018397996.db2.gz CXUKDFKYJFFKSP-JOYOIKCWSA-N -1 0 307.368 -0.383 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC001604534221 1018398029 /nfs/dbraw/zinc/39/80/29/1018398029.db2.gz XOTSAQKGWNJMQL-PKFCDNJMSA-N -1 0 314.338 -0.072 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H](C)OC)C1 ZINC001604524014 1018398152 /nfs/dbraw/zinc/39/81/52/1018398152.db2.gz ZJSBZTSAPQGMSQ-RNCFNFMXSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCCc2cnccn2)CCO1 ZINC001604551458 1018398816 /nfs/dbraw/zinc/39/88/16/1018398816.db2.gz WUWSXKPIYLDMFQ-AWEZNQCLSA-N -1 0 324.337 -0.469 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)/C=C\c2cn(C)cn2)CCO1 ZINC001604551546 1018398969 /nfs/dbraw/zinc/39/89/69/1018398969.db2.gz RPDPTYGDPPWWTN-VQTKUKTRSA-N -1 0 309.322 -0.238 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)Cn2nc(C)cc2C)CCO1 ZINC001604549960 1018398982 /nfs/dbraw/zinc/39/89/82/1018398982.db2.gz FIKDQUXRUUETJP-AWEZNQCLSA-N -1 0 311.338 -0.171 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCCC(=O)N2C)CCO1 ZINC001604550663 1018399054 /nfs/dbraw/zinc/39/90/54/1018399054.db2.gz KGBQQPPADAJCOY-HZMBPMFUSA-N -1 0 314.338 -0.674 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CCc2cnn(C)n2)CCO1 ZINC001604550442 1018399372 /nfs/dbraw/zinc/39/93/72/1018399372.db2.gz IFTFJVDBNKAACT-CYBMUJFWSA-N -1 0 312.326 -0.924 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)COC[C@H]2CCCO2)CCO1 ZINC001604551262 1018399647 /nfs/dbraw/zinc/39/96/47/1018399647.db2.gz PRDBXSKWKBMVED-RISCZKNCSA-N -1 0 317.338 -0.489 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)N[C@H](C)[C@H](C)OC)CCO1 ZINC001604549323 1018399725 /nfs/dbraw/zinc/39/97/25/1018399725.db2.gz DMQCPINXFRCNMU-GBIKHYSHSA-N -1 0 304.343 -0.079 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)Cc2cncc(O)c2)CCO1 ZINC001604551856 1018400351 /nfs/dbraw/zinc/40/03/51/1018400351.db2.gz WWMCDZSPXRVWSW-CQSZACIVSA-N -1 0 310.306 -0.342 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C[C@](C)(O)C2CC2)CCO1 ZINC001604551935 1018400380 /nfs/dbraw/zinc/40/03/80/1018400380.db2.gz YPRUPPIBNWKWQU-UONOGXRCSA-N -1 0 301.339 -0.134 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@]2(O)CCSC2)CCO1 ZINC001604549123 1018400458 /nfs/dbraw/zinc/40/04/58/1018400458.db2.gz BIPBHVWISUZOTN-VXGBXAGGSA-N -1 0 305.352 -0.817 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CC(=O)NC2CCCC2)CCO1 ZINC001604557011 1018401385 /nfs/dbraw/zinc/40/13/85/1018401385.db2.gz DBUGCVQKTVYQGD-AWEZNQCLSA-N -1 0 300.355 -0.153 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)N(C)CC(C)C)CCO1 ZINC001604563893 1018401482 /nfs/dbraw/zinc/40/14/82/1018401482.db2.gz DDUCXWOIGPPFAH-GFCCVEGCSA-N -1 0 324.399 -0.379 20 0 DBADRM CC1=C(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)S(=O)(=O)CCO1 ZINC001604608144 1018413381 /nfs/dbraw/zinc/41/33/81/1018413381.db2.gz XVIGIFBMTQDGDB-SECBINFHSA-N -1 0 301.320 -0.048 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cn(CC3CC3)nn2)CCO1 ZINC001604558683 1018402382 /nfs/dbraw/zinc/40/23/82/1018402382.db2.gz RIQSMMDDZUVQOD-CQSZACIVSA-N -1 0 324.337 -0.370 20 0 DBADRM CC1(C)OCC(NC(=O)C(=O)Nc2cccc(C(=O)[O-])n2)CO1 ZINC001604559954 1018403027 /nfs/dbraw/zinc/40/30/27/1018403027.db2.gz MAHHZLVKGIKQLI-UHFFFAOYSA-N -1 0 323.305 -0.014 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2nc(C3CC3)nn2C)CCO1 ZINC001604559296 1018403146 /nfs/dbraw/zinc/40/31/46/1018403146.db2.gz VXSKLLMMXJTODU-AWEZNQCLSA-N -1 0 324.337 -0.365 20 0 DBADRM COC[C@@H]1CN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCO1 ZINC001604567207 1018404697 /nfs/dbraw/zinc/40/46/97/1018404697.db2.gz KJMUTLACEBCXGX-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@]1(CN2C(=O)[C@@H]3CC[C@H](C(=O)[O-])CN3C2=O)CCC(=O)N1 ZINC001604571498 1018404804 /nfs/dbraw/zinc/40/48/04/1018404804.db2.gz NCIMAWYBXZJAPD-UINNMSKDSA-N -1 0 309.322 -0.218 20 0 DBADRM C[C@]1(CC(=O)N2CCC(C(=O)[O-])CC2)CCS(=O)(=O)N1 ZINC001604569201 1018404860 /nfs/dbraw/zinc/40/48/60/1018404860.db2.gz SIEJWHFZAOVECK-GFCCVEGCSA-N -1 0 304.368 -0.219 20 0 DBADRM COC[C@@H]1CN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCO1 ZINC001604567205 1018405386 /nfs/dbraw/zinc/40/53/86/1018405386.db2.gz KJMUTLACEBCXGX-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@]1(CC(=O)N2CC[C@](F)(C(=O)[O-])C2)CCS(=O)(=O)N1 ZINC001604568592 1018405435 /nfs/dbraw/zinc/40/54/35/1018405435.db2.gz FPZKXCYIPITWEP-WDEREUQCSA-N -1 0 308.331 -0.517 20 0 DBADRM COC[C@H]1CCCN1NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604566968 1018405561 /nfs/dbraw/zinc/40/55/61/1018405561.db2.gz FOGSXDUYOCTKJR-MNOVXSKESA-N -1 0 313.354 -0.548 20 0 DBADRM CC1(CC(=O)NC[C@H](CO)Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001604569543 1018405619 /nfs/dbraw/zinc/40/56/19/1018405619.db2.gz WUSLCYUFWBWFJW-SECBINFHSA-N -1 0 308.338 -0.324 20 0 DBADRM COCC1(CS(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)CCC1 ZINC001604567105 1018405667 /nfs/dbraw/zinc/40/56/67/1018405667.db2.gz GVAANACARWDHDZ-LBPRGKRZSA-N -1 0 307.368 -0.034 20 0 DBADRM COCC[C@](C)(O)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604573943 1018406599 /nfs/dbraw/zinc/40/65/99/1018406599.db2.gz ONUVDBZWPYNSNX-YGRLFVJLSA-N -1 0 316.354 -0.787 20 0 DBADRM COCC[C@](C)(O)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604573940 1018407159 /nfs/dbraw/zinc/40/71/59/1018407159.db2.gz ONUVDBZWPYNSNX-HZMBPMFUSA-N -1 0 316.354 -0.787 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1(F)F ZINC001604575981 1018407316 /nfs/dbraw/zinc/40/73/16/1018407316.db2.gz UNKDGDKBYYZVAE-JOAULVNJSA-N -1 0 320.292 -0.558 20 0 DBADRM C[C@]1(CNC(=O)C(N)=O)CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001604575345 1018407903 /nfs/dbraw/zinc/40/79/03/1018407903.db2.gz JWFULGGIVIAJNQ-CQSZACIVSA-N -1 0 321.337 -0.617 20 0 DBADRM COCCN(CC(=O)[O-])c1cc(C)nc(S(C)(=O)=O)n1 ZINC001604593111 1018409344 /nfs/dbraw/zinc/40/93/44/1018409344.db2.gz XVMGCIVELAPGBH-UHFFFAOYSA-N -1 0 303.340 -0.274 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N1CC(C)(O)C1 ZINC001604594995 1018408913 /nfs/dbraw/zinc/40/89/13/1018408913.db2.gz CVWVTWRETLVXSV-QMMMGPOBSA-N -1 0 302.327 -0.052 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC001604596366 1018409543 /nfs/dbraw/zinc/40/95/43/1018409543.db2.gz KPSCIRVJQDLQLR-NWDGAFQWSA-N -1 0 317.386 -0.162 20 0 DBADRM CCc1noc(Cn2c(=O)c(-c3nnn[n-]3)cn(CC)c2=O)n1 ZINC001604587725 1018409627 /nfs/dbraw/zinc/40/96/27/1018409627.db2.gz IHCRQIJLRWMGKV-UHFFFAOYSA-N -1 0 318.297 -0.796 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C1(S(C)(=O)=O)CCC1 ZINC001604597985 1018409679 /nfs/dbraw/zinc/40/96/79/1018409679.db2.gz RMALEGYVTNEOPO-UHFFFAOYSA-N -1 0 307.368 -0.097 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)C1(S(C)(=O)=O)CCOCC1 ZINC001604584582 1018410159 /nfs/dbraw/zinc/41/01/59/1018410159.db2.gz RVYBATYGZZVPBH-UHFFFAOYSA-N -1 0 323.367 -0.860 20 0 DBADRM CC1(O)CCC(NC(=O)NCCC(=O)NCCC(=O)[O-])CC1 ZINC001604596260 1018410450 /nfs/dbraw/zinc/41/04/50/1018410450.db2.gz MJZGJAAJLRGPMN-UHFFFAOYSA-N -1 0 315.370 -0.040 20 0 DBADRM C[C@]1(NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CCOC1=O ZINC001604589886 1018410462 /nfs/dbraw/zinc/41/04/62/1018410462.db2.gz FSEOXEHTRHFSCD-RNCFNFMXSA-N -1 0 300.311 -0.441 20 0 DBADRM C[C@]1(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)CCNC1=O ZINC001604598266 1018411720 /nfs/dbraw/zinc/41/17/20/1018411720.db2.gz RYUVJSSWJVLKFW-NSHDSACASA-N -1 0 304.368 -0.171 20 0 DBADRM CC1=C(C(=O)NC[C@](C)(O)C(=O)[O-])[C@H](C)n2ncnc2N1C ZINC001604607651 1018412042 /nfs/dbraw/zinc/41/20/42/1018412042.db2.gz KHBAFOWSUABFKR-SDBXPKJASA-N -1 0 309.326 -0.485 20 0 DBADRM C[C@]12CN(C(=O)c3ccc(C(=O)[O-])[nH]3)C[C@]1(C)C(=O)NC2=O ZINC001604605522 1018412061 /nfs/dbraw/zinc/41/20/61/1018412061.db2.gz HHEOOFJQGXXGRB-ZIAGYGMSSA-N -1 0 305.290 -0.162 20 0 DBADRM CC1=C(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)[C@@H](C)n2nnnc2N1C ZINC001604607954 1018412170 /nfs/dbraw/zinc/41/21/70/1018412170.db2.gz PTSPJOBIEFDZOV-OQPBUACISA-N -1 0 324.316 -0.017 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCOC(F)F)c1=O ZINC001604601453 1018412686 /nfs/dbraw/zinc/41/26/86/1018412686.db2.gz WISYDZYBIXWNSL-UHFFFAOYSA-N -1 0 302.241 -0.551 20 0 DBADRM C[C@@]12CN(C(=S)NCCCC(=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001604607280 1018412771 /nfs/dbraw/zinc/41/27/71/1018412771.db2.gz XGHMWRVFBOSAKN-STQMWFEESA-N -1 0 313.379 -0.290 20 0 DBADRM COCCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001604611468 1018412819 /nfs/dbraw/zinc/41/28/19/1018412819.db2.gz BDSJJPWOBOJDAQ-GMTAPVOTSA-N -1 0 314.338 -0.770 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NC[C@H](C)S(C)(=O)=O ZINC001604600747 1018413073 /nfs/dbraw/zinc/41/30/73/1018413073.db2.gz UDHIRXMHNHOTMM-VIFPVBQESA-N -1 0 310.372 -0.448 20 0 DBADRM CC1=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)[C@@H](C)n2ncnc2N1C ZINC001604607367 1018413116 /nfs/dbraw/zinc/41/31/16/1018413116.db2.gz MMHWWSJQAFCTLI-MRTMQBJTSA-N -1 0 309.326 -0.487 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n([C@@H]2COC(C)(C)C2)c1=O ZINC001604599618 1018413215 /nfs/dbraw/zinc/41/32/15/1018413215.db2.gz UXBXKWKCIDXYHL-QMMMGPOBSA-N -1 0 306.326 -0.050 20 0 DBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001604617351 1018414117 /nfs/dbraw/zinc/41/41/17/1018414117.db2.gz BZVQZMXNCATTLV-SDDRHHMPSA-N -1 0 316.354 -0.077 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)Nc1c(C(=O)[O-])cnn1C ZINC001604616300 1018414266 /nfs/dbraw/zinc/41/42/66/1018414266.db2.gz PCEGCAXWHONPLU-SSDOTTSWSA-N -1 0 308.298 -0.248 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC001604617917 1018414759 /nfs/dbraw/zinc/41/47/59/1018414759.db2.gz JZUZEZIQHDOQDB-SNVBAGLBSA-N -1 0 315.351 -0.109 20 0 DBADRM C[C@H]1C(=O)NCCN1S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001604620814 1018415240 /nfs/dbraw/zinc/41/52/40/1018415240.db2.gz CJOLYYJABDJHOA-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1=O ZINC001604614664 1018415573 /nfs/dbraw/zinc/41/55/73/1018415573.db2.gz OTDYVMXCVLZJGO-ZYHUDNBSSA-N -1 0 324.333 -0.312 20 0 DBADRM COCCOC1(CNC(=O)[C@@](C)(OC)C(=O)[O-])CCOCC1 ZINC001604611673 1018415590 /nfs/dbraw/zinc/41/55/90/1018415590.db2.gz IMUIJAGQAHSYPP-CYBMUJFWSA-N -1 0 319.354 -0.196 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001604617966 1018415626 /nfs/dbraw/zinc/41/56/26/1018415626.db2.gz PFCQUBRCRWUJSU-SNVBAGLBSA-N -1 0 302.327 -0.911 20 0 DBADRM CCn1nc(C)c(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1C ZINC001604617645 1018415865 /nfs/dbraw/zinc/41/58/65/1018415865.db2.gz QKRVQXUTPKUULJ-UHFFFAOYSA-N -1 0 316.329 -0.070 20 0 DBADRM COCCn1cc(C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])cn1 ZINC001604629890 1018416974 /nfs/dbraw/zinc/41/69/74/1018416974.db2.gz NYWUAOLCUYRALO-JTQLQIEISA-N -1 0 313.310 -0.334 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCN(C2CC2)CC1 ZINC001604625344 1018417701 /nfs/dbraw/zinc/41/77/01/1018417701.db2.gz XVLJJMJLLYEHAE-JQWIXIFHSA-N -1 0 309.366 -0.385 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCC(CCO)CC1 ZINC001604623304 1018418363 /nfs/dbraw/zinc/41/83/63/1018418363.db2.gz KKSPHGUBDBPWMC-PWSUYJOCSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001604635449 1018419911 /nfs/dbraw/zinc/41/99/11/1018419911.db2.gz BRBRVAIVUQAGSI-GMTAPVOTSA-N -1 0 306.384 -0.558 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=S)NCCN1CCOCC1 ZINC001604638302 1018420482 /nfs/dbraw/zinc/42/04/82/1018420482.db2.gz WRZUNWOWDILPNE-MNOVXSKESA-N -1 0 301.412 -0.012 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=S)NCCN1CCOCC1 ZINC001604638304 1018421283 /nfs/dbraw/zinc/42/12/83/1018421283.db2.gz WRZUNWOWDILPNE-WDEREUQCSA-N -1 0 301.412 -0.012 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1nccn1S(=O)(=O)N(C)C ZINC001604636049 1018421302 /nfs/dbraw/zinc/42/13/02/1018421302.db2.gz FFGJOMWYYDIFEI-ZJUUUORDSA-N -1 0 316.383 -0.167 20 0 DBADRM CONC(=O)C1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001604661160 1018421845 /nfs/dbraw/zinc/42/18/45/1018421845.db2.gz CHHHHDFVEXEFSI-CYBMUJFWSA-N -1 0 300.311 -0.464 20 0 DBADRM CON(C(=O)c1ccc2c(c1)NC(=O)CNC2=O)[C@@H](C)C(=O)[O-] ZINC001604661004 1018422342 /nfs/dbraw/zinc/42/23/42/1018422342.db2.gz LUJRMQCJCNNGSK-ZETCQYMHSA-N -1 0 321.289 -0.155 20 0 DBADRM COCc1nocc1C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001604651340 1018422627 /nfs/dbraw/zinc/42/26/27/1018422627.db2.gz NZDYDYMWQPQKPB-ZDUSSCGKSA-N -1 0 314.294 -0.237 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC2(CC(=O)[O-])CCS(=O)(=O)CC2)CO1 ZINC001604648598 1018423039 /nfs/dbraw/zinc/42/30/39/1018423039.db2.gz UYLSCUMUNGDLDQ-ZJUUUORDSA-N -1 0 319.379 -0.050 20 0 DBADRM COCc1nc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])co1 ZINC001604648427 1018423116 /nfs/dbraw/zinc/42/31/16/1018423116.db2.gz GCZMLIWIIFDJOV-MRVPVSSYSA-N -1 0 313.310 -0.128 20 0 DBADRM COCc1nc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])co1 ZINC001604648428 1018423556 /nfs/dbraw/zinc/42/35/56/1018423556.db2.gz GCZMLIWIIFDJOV-QMMMGPOBSA-N -1 0 313.310 -0.128 20 0 DBADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001604659192 1018423742 /nfs/dbraw/zinc/42/37/42/1018423742.db2.gz RDOOJAPNIVFPJM-IUCAKERBSA-N -1 0 323.349 -0.202 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H](CO)C[C@H](C)C2)C[C@H]1C(=O)[O-] ZINC001604663192 1018424923 /nfs/dbraw/zinc/42/49/23/1018424923.db2.gz NCXZWBGORSFDJM-IRCOFANPSA-N -1 0 312.366 -0.358 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(N)=O)CCN1c1ncc(C(=O)[O-])cn1 ZINC001604671755 1018424982 /nfs/dbraw/zinc/42/49/82/1018424982.db2.gz DGIYMLFGDBZESW-APPZFPTMSA-N -1 0 307.310 -0.866 20 0 DBADRM C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC001604662340 1018425134 /nfs/dbraw/zinc/42/51/34/1018425134.db2.gz FSKAYSZXXMLSMJ-UTUOFQBUSA-N -1 0 312.366 -0.214 20 0 DBADRM CC1CC(CNC(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001604667293 1018426038 /nfs/dbraw/zinc/42/60/38/1018426038.db2.gz RSQKQSPUGKYUNZ-RTYFJBAXSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)C[C@H](CO)C2)C[C@H]1C(=O)[O-] ZINC001604663194 1018426086 /nfs/dbraw/zinc/42/60/86/1018426086.db2.gz NCXZWBGORSFDJM-WISYIIOYSA-N -1 0 312.366 -0.358 20 0 DBADRM CO[C@H]1C[C@@H](CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001604669195 1018426244 /nfs/dbraw/zinc/42/62/44/1018426244.db2.gz PBMZLTSZKDYSJX-AOOOYVTPSA-N -1 0 319.379 -0.193 20 0 DBADRM C[C@H]1C[C@H](CO)CN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC001604662338 1018426529 /nfs/dbraw/zinc/42/65/29/1018426529.db2.gz FSKAYSZXXMLSMJ-SRVKXCTJSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C(=O)O1 ZINC001604673234 1018427096 /nfs/dbraw/zinc/42/70/96/1018427096.db2.gz ULRXFHWFGXDWNU-BFHDXFOESA-N -1 0 311.294 -0.295 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C(=O)O1 ZINC001604673237 1018427664 /nfs/dbraw/zinc/42/76/64/1018427664.db2.gz ULRXFHWFGXDWNU-UJVNDKKSSA-N -1 0 311.294 -0.295 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C(=O)O1 ZINC001604677166 1018427771 /nfs/dbraw/zinc/42/77/71/1018427771.db2.gz RNQNKZWZGIKDFC-LFNDISMMSA-N -1 0 312.322 -0.177 20 0 DBADRM C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccn2)C(=O)O1 ZINC001604678326 1018427777 /nfs/dbraw/zinc/42/77/77/1018427777.db2.gz YQRNCJDIQUGQQZ-HTRCEHHLSA-N -1 0 300.292 -0.238 20 0 DBADRM C[C@H]1C[C@H](NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C(=O)O1 ZINC001604677172 1018427996 /nfs/dbraw/zinc/42/79/96/1018427996.db2.gz RNQNKZWZGIKDFC-RUMNANIHSA-N -1 0 312.322 -0.177 20 0 DBADRM C[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C(=O)N1c1cnn(C)c1 ZINC001604675889 1018428082 /nfs/dbraw/zinc/42/80/82/1018428082.db2.gz BFICLNSCQDZLPC-WCBMZHEXSA-N -1 0 316.321 -0.064 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CS1 ZINC001604672559 1018428584 /nfs/dbraw/zinc/42/85/84/1018428584.db2.gz ODZVMEMEGKLREN-KATARQTJSA-N -1 0 316.379 -0.303 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1=O ZINC001604688239 1018431585 /nfs/dbraw/zinc/43/15/85/1018431585.db2.gz HVCJWDXNYDZEDN-UVOCVTCTSA-N -1 0 316.379 -0.222 20 0 DBADRM C[C@H]1CC[C@@H](CNC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)O1 ZINC001604699526 1018432845 /nfs/dbraw/zinc/43/28/45/1018432845.db2.gz XZMYVTABSJEBDX-VLEAKVRGSA-N -1 0 314.338 -0.629 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)[nH]n1 ZINC001604721480 1018432901 /nfs/dbraw/zinc/43/29/01/1018432901.db2.gz BJTRODCEZSYRDJ-YUMQZZPRSA-N -1 0 310.310 -0.074 20 0 DBADRM CN(CC(=O)C(C)(C)C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001604708647 1018434647 /nfs/dbraw/zinc/43/46/47/1018434647.db2.gz QSZTXCLLXOIWPD-UHFFFAOYSA-N -1 0 306.330 -0.468 20 0 DBADRM CC(C)C(=O)NC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001500741979 1018434935 /nfs/dbraw/zinc/43/49/35/1018434935.db2.gz JEEMBHVXXAPERC-SECBINFHSA-N -1 0 313.358 -0.398 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@H]2CCN=C3C2=NNN3C)[C@@H](C(=O)[O-])C1 ZINC001604743144 1018436689 /nfs/dbraw/zinc/43/66/89/1018436689.db2.gz HXLWKUOPHBUYMF-KXUCPTDWSA-N -1 0 307.354 -0.078 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001604739661 1018436761 /nfs/dbraw/zinc/43/67/61/1018436761.db2.gz CZRLTDKDZSVBHD-DTWKUNHWSA-N -1 0 308.356 -0.479 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001604739663 1018436960 /nfs/dbraw/zinc/43/69/60/1018436960.db2.gz CZRLTDKDZSVBHD-RKDXNWHRSA-N -1 0 308.356 -0.479 20 0 DBADRM CC1CCN(C(=O)C(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)CC1 ZINC001604742146 1018437096 /nfs/dbraw/zinc/43/70/96/1018437096.db2.gz QBHSEWKNWVPKFU-LLVKDONJSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1 ZINC001604733706 1018437262 /nfs/dbraw/zinc/43/72/62/1018437262.db2.gz GPELEQCUWLYPMK-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)CCN2CCOC2=O)[C@H](C(=O)[O-])C1 ZINC001604757288 1018438737 /nfs/dbraw/zinc/43/87/37/1018438737.db2.gz MCCHJBJHMRWHIY-UWVGGRQHSA-N -1 0 320.367 -0.047 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])C1 ZINC001604757393 1018440158 /nfs/dbraw/zinc/44/01/58/1018440158.db2.gz OWMOIYQFDXROMG-ZJUUUORDSA-N -1 0 319.383 -0.762 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)CCN2CCOC2=O)[C@@H](C(=O)[O-])C1 ZINC001604757287 1018440289 /nfs/dbraw/zinc/44/02/89/1018440289.db2.gz MCCHJBJHMRWHIY-NXEZZACHSA-N -1 0 320.367 -0.047 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCC1(F)F ZINC001604768532 1018441601 /nfs/dbraw/zinc/44/16/01/1018441601.db2.gz PAUNJEZFWNKYFT-BDAKNGLRSA-N -1 0 320.292 -0.198 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C[C@]1(C)CO ZINC001604768959 1018442185 /nfs/dbraw/zinc/44/21/85/1018442185.db2.gz NBLQVGCYIGFJBL-XLKFXECMSA-N -1 0 324.337 -0.466 20 0 DBADRM C[C@H]1CCn2cc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])nc2C1 ZINC001604767281 1018442366 /nfs/dbraw/zinc/44/23/66/1018442366.db2.gz SLVZIHDZVLWAAL-ONGXEEELSA-N -1 0 320.349 -0.119 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001604761254 1018442390 /nfs/dbraw/zinc/44/23/90/1018442390.db2.gz TYZOHIJPGSJJDU-KWQFWETISA-N -1 0 319.317 -0.036 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@@H](O)CC(=O)[O-])c2ccccc2O1 ZINC001604769198 1018444302 /nfs/dbraw/zinc/44/43/02/1018444302.db2.gz RNDOEFQGAMRGAP-ZJUUUORDSA-N -1 0 322.317 -0.248 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C)C2)C[C@@H](C(=O)[O-])O1 ZINC001604769227 1018444525 /nfs/dbraw/zinc/44/45/25/1018444525.db2.gz SEDKJZAJNFSSRA-DCAQKATOSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@@H]1CN(C(=O)CCCn2ccc(C(=O)[O-])n2)C[C@@H](CO)O1 ZINC001604770372 1018444942 /nfs/dbraw/zinc/44/49/42/1018444942.db2.gz TYSWJURZOYMPJM-MNOVXSKESA-N -1 0 311.338 -0.030 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C[C@H](C)S1(=O)=O ZINC001604779117 1018446930 /nfs/dbraw/zinc/44/69/30/1018446930.db2.gz BJBBCXQJUDDZRP-QEYWKRMJSA-N -1 0 305.352 -0.347 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)[C@@H](C)CN1CCO ZINC001604779093 1018447389 /nfs/dbraw/zinc/44/73/89/1018447389.db2.gz ATFNLPOWKQVGOJ-KXNHARMFSA-N -1 0 300.355 -0.468 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1Nc1ccnc(C(=O)[O-])n1 ZINC001604784540 1018448211 /nfs/dbraw/zinc/44/82/11/1018448211.db2.gz ZTTJMENMOFGCPT-PSASIEDQSA-N -1 0 316.321 -0.108 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)NCC(C)(C)F ZINC001604789332 1018450798 /nfs/dbraw/zinc/45/07/98/1018450798.db2.gz ULIYZFZCCIBJIE-JTQLQIEISA-N -1 0 317.361 -0.142 20 0 DBADRM C[C@@H]1COCCN1CCNS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001604820829 1018456773 /nfs/dbraw/zinc/45/67/73/1018456773.db2.gz YCMMUFZHEUUEQB-SNVBAGLBSA-N -1 0 306.384 -0.509 20 0 DBADRM C[C@H](CS(=O)(=O)NCCN1C[C@@H](C)OC[C@@H]1C)C(=O)[O-] ZINC001604796631 1018453802 /nfs/dbraw/zinc/45/38/02/1018453802.db2.gz QMUHWRMUSLWOHB-OUAUKWLOSA-N -1 0 308.400 -0.264 20 0 DBADRM C[C@@H]1CN(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C(=O)[C@H]1C ZINC001604798619 1018454057 /nfs/dbraw/zinc/45/40/57/1018454057.db2.gz VXHHUENHCVCIMK-VWYCJHECSA-N -1 0 318.395 -0.368 20 0 DBADRM C[C@@H]1CN(CCNC(=O)Cn2ccc(C(=O)[O-])n2)[C@H](C)CO1 ZINC001604796151 1018454146 /nfs/dbraw/zinc/45/41/46/1018454146.db2.gz NCLKMTIAYHFHKO-GHMZBOCLSA-N -1 0 310.354 -0.193 20 0 DBADRM C[C@@H]1CN(CCN2CCS(=O)(=O)C[C@H]2C(=O)[O-])C[C@@H](C)O1 ZINC001604797280 1018454407 /nfs/dbraw/zinc/45/44/07/1018454407.db2.gz VAWKWIPDFHKQFU-UTUOFQBUSA-N -1 0 320.411 -0.721 20 0 DBADRM C[C@H]1C(=O)N(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C[C@H]1C ZINC001604798617 1018454450 /nfs/dbraw/zinc/45/44/50/1018454450.db2.gz VXHHUENHCVCIMK-MXWKQRLJSA-N -1 0 318.395 -0.368 20 0 DBADRM C[C@H]1COCC[C@H]1CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604818851 1018455518 /nfs/dbraw/zinc/45/55/18/1018455518.db2.gz LUXXRJRPVOSBFW-QWRGUYRKSA-N -1 0 315.370 -0.061 20 0 DBADRM C[C@@H]1COCC[C@@H]1S(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC001604820444 1018455530 /nfs/dbraw/zinc/45/55/30/1018455530.db2.gz QYINQKXORCOJSX-MNOVXSKESA-N -1 0 306.384 -0.557 20 0 DBADRM C[C@@H]1COCCN1CCNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001604819060 1018455703 /nfs/dbraw/zinc/45/57/03/1018455703.db2.gz AXNLAAUAQVVNEC-SECBINFHSA-N -1 0 318.351 -0.023 20 0 DBADRM C[C@@H]1CN(c2ccc(C(=O)N[C@@H](CO)C(=O)[O-])cn2)C[C@@H](C)O1 ZINC001604807833 1018456252 /nfs/dbraw/zinc/45/62/52/1018456252.db2.gz FWGGWSUKHZBIPN-FOGDFJRCSA-N -1 0 323.349 -0.130 20 0 DBADRM C[C@H]1COCCN1CCNS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001604820828 1018456293 /nfs/dbraw/zinc/45/62/93/1018456293.db2.gz YCMMUFZHEUUEQB-JTQLQIEISA-N -1 0 306.384 -0.509 20 0 DBADRM C[C@@H]1COCCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001604819667 1018456436 /nfs/dbraw/zinc/45/64/36/1018456436.db2.gz HSVKLNPZZLFXDU-DDIVZENXSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@H]1COCC[C@H]1NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604819818 1018456458 /nfs/dbraw/zinc/45/64/58/1018456458.db2.gz TWDXHJACWBDPCV-VHSXEESVSA-N -1 0 301.343 -0.308 20 0 DBADRM C[C@H]1OCC[C@@H]1N(CCO)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001604836813 1018459001 /nfs/dbraw/zinc/45/90/01/1018459001.db2.gz YXIXSSNNWSUTOR-ZJUUUORDSA-N -1 0 309.384 -0.101 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001604816671 1018456897 /nfs/dbraw/zinc/45/68/97/1018456897.db2.gz HOWGVOSHSFCHRD-DTWKUNHWSA-N -1 0 323.305 -0.674 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604836847 1018458748 /nfs/dbraw/zinc/45/87/48/1018458748.db2.gz ZLNLLMQDXRJQMA-DTWKUNHWSA-N -1 0 308.356 -0.936 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)NC[C@H](C(=O)[O-])[C@H]3CCOC3)cc2CN1 ZINC001604828385 1018459007 /nfs/dbraw/zinc/45/90/07/1018459007.db2.gz VCHWZRGGNRVZQN-SCVCMEIPSA-N -1 0 322.365 -0.158 20 0 DBADRM CN(c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001604829469 1018459436 /nfs/dbraw/zinc/45/94/36/1018459436.db2.gz FOIRSFGNTMYPJM-LLVKDONJSA-N -1 0 315.337 -0.611 20 0 DBADRM C[C@@H]1OCCN(C(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])[C@H]1C ZINC001604838376 1018460590 /nfs/dbraw/zinc/46/05/90/1018460590.db2.gz UHIRNOUYXALVPR-UKKRHICBSA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@H]1OCC[C@]1(C)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604836935 1018461083 /nfs/dbraw/zinc/46/10/83/1018461083.db2.gz YMIZTBIDLGIQQL-RNCFNFMXSA-N -1 0 301.343 -0.166 20 0 DBADRM C[C@@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)C1CC(=O)C1 ZINC001604838407 1018461148 /nfs/dbraw/zinc/46/11/48/1018461148.db2.gz JWZGWNBVUPXUHB-XVKPBYJWSA-N -1 0 314.363 -0.154 20 0 DBADRM COc1ccc2c(c1)C(=O)N([C@@H]1CCN(CC(=O)[O-])C1=O)C2=O ZINC001604842785 1018461296 /nfs/dbraw/zinc/46/12/96/1018461296.db2.gz FIXZGVORIOSGSM-LLVKDONJSA-N -1 0 318.285 -0.023 20 0 DBADRM C[C@H]1OCCN(C(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])[C@@H]1C ZINC001604838372 1018461767 /nfs/dbraw/zinc/46/17/67/1018461767.db2.gz UHIRNOUYXALVPR-GWOFURMSSA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCn2cnnc2[C@H]1C)C(=O)[O-] ZINC001604844504 1018462137 /nfs/dbraw/zinc/46/21/37/1018462137.db2.gz HXPFNDBJRZBVQO-XHNCKOQMSA-N -1 0 324.341 -0.658 20 0 DBADRM C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1c[nH]cn1 ZINC001604842108 1018462367 /nfs/dbraw/zinc/46/23/67/1018462367.db2.gz OBQCWYSRFGKOHD-IONNQARKSA-N -1 0 312.351 -0.096 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC001604853702 1018464616 /nfs/dbraw/zinc/46/46/16/1018464616.db2.gz WZUMXZBLXVQUHK-ONGXEEELSA-N -1 0 308.338 -0.220 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC001604853700 1018465468 /nfs/dbraw/zinc/46/54/68/1018465468.db2.gz WZUMXZBLXVQUHK-KOLCDFICSA-N -1 0 308.338 -0.220 20 0 DBADRM CCC(=O)N[C@H](CCSC)C(=O)N[C@@H](COC)C(=O)[O-] ZINC001604859637 1018467440 /nfs/dbraw/zinc/46/74/40/1018467440.db2.gz KRLMXPNPEXIVFF-BDAKNGLRSA-N -1 0 306.384 -0.150 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001604858745 1018469784 /nfs/dbraw/zinc/46/97/84/1018469784.db2.gz DUXAWVKNYOBHRW-QMMMGPOBSA-N -1 0 309.326 -0.961 20 0 DBADRM CC[C@H](C(=O)N[C@H](Cn1cncn1)C(=O)[O-])N1CCCC1=O ZINC001604868353 1018470656 /nfs/dbraw/zinc/47/06/56/1018470656.db2.gz HRNRJTKQEJTVHD-NXEZZACHSA-N -1 0 309.326 -0.752 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC001604873012 1018472283 /nfs/dbraw/zinc/47/22/83/1018472283.db2.gz FGHLJITUDKLLFV-GUBZILKMSA-N -1 0 305.352 -0.488 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001604869750 1018472296 /nfs/dbraw/zinc/47/22/96/1018472296.db2.gz XHXWYQLXOCGFCU-MNOVXSKESA-N -1 0 320.411 -0.326 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC001604873011 1018473109 /nfs/dbraw/zinc/47/31/09/1018473109.db2.gz FGHLJITUDKLLFV-AEJSXWLSSA-N -1 0 305.352 -0.488 20 0 DBADRM CNC(=O)CCN(C)C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001604880199 1018474384 /nfs/dbraw/zinc/47/43/84/1018474384.db2.gz VCYZOKIYAJWYPG-UHFFFAOYSA-N -1 0 304.310 -0.220 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3cnn(C)c3)C2)c1[O-] ZINC001500814466 1018474820 /nfs/dbraw/zinc/47/48/20/1018474820.db2.gz AAGXYDGDPVJTFH-UHFFFAOYSA-N -1 0 320.353 -0.866 20 0 DBADRM CNC(=O)C1(C(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001604875628 1018476034 /nfs/dbraw/zinc/47/60/34/1018476034.db2.gz SEZLURHPKYNIMU-UHFFFAOYSA-N -1 0 302.294 -0.197 20 0 DBADRM CNC(=O)Cn1c(=O)c(-c2nnn[n-]2)ccc1C(F)(F)F ZINC001604883232 1018478572 /nfs/dbraw/zinc/47/85/72/1018478572.db2.gz NGZSXEIDMDRUGS-UHFFFAOYSA-N -1 0 302.216 -0.207 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)nc1 ZINC001604900873 1018479893 /nfs/dbraw/zinc/47/98/93/1018479893.db2.gz XBWTUZRCEBWNLN-DTWKUNHWSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1ccnc(C[S@](=O)CC(=O)NCC(=O)[O-])c1OC ZINC001604898763 1018479908 /nfs/dbraw/zinc/47/99/08/1018479908.db2.gz KATYLGQZLYWCCT-NRFANRHFSA-N -1 0 316.335 -0.452 20 0 DBADRM COC(=O)[C@@H](C)CN(C)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604903073 1018480501 /nfs/dbraw/zinc/48/05/01/1018480501.db2.gz FHNQFQKLCHMEGN-YUMQZZPRSA-N -1 0 322.329 -0.713 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)nc1 ZINC001604900854 1018481197 /nfs/dbraw/zinc/48/11/97/1018481197.db2.gz WVBZZKQZTNLYOO-SCZZXKLOSA-N -1 0 322.321 -0.007 20 0 DBADRM COC(=O)[C@@H](OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)C ZINC001604909539 1018484118 /nfs/dbraw/zinc/48/41/18/1018484118.db2.gz NCMIZKXTMZAFPF-SFYZADRCSA-N -1 0 323.313 -0.240 20 0 DBADRM CC/C(C)=C\C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001604917586 1018484729 /nfs/dbraw/zinc/48/47/29/1018484729.db2.gz CSACLMKOAADMFP-BMMYIHMSSA-N -1 0 310.350 -0.247 20 0 DBADRM CC/C(C)=C\C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001604917588 1018484926 /nfs/dbraw/zinc/48/49/26/1018484926.db2.gz CSACLMKOAADMFP-MTUFZTHRSA-N -1 0 310.350 -0.247 20 0 DBADRM CS(=O)(=O)C1(C(=O)NCC2(C(=O)[O-])CCC2)CCOCC1 ZINC001604913640 1018485007 /nfs/dbraw/zinc/48/50/07/1018485007.db2.gz CUICIFBQVCQMGK-UHFFFAOYSA-N -1 0 319.379 -0.049 20 0 DBADRM COc1ncc(/C=C\C(=O)OCc2cn(CC(=O)[O-])nn2)cn1 ZINC001604907207 1018485224 /nfs/dbraw/zinc/48/52/24/1018485224.db2.gz UZWMQJCLAHAFAB-IHWYPQMZSA-N -1 0 319.277 -0.082 20 0 DBADRM CS(=O)(=O)N=S1(=O)CCN(C(=O)CCC(=O)[O-])CC1 ZINC001604927850 1018489429 /nfs/dbraw/zinc/48/94/29/1018489429.db2.gz XUNGIIFMVQVNKH-UHFFFAOYSA-N -1 0 312.369 -0.879 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001604927346 1018490167 /nfs/dbraw/zinc/49/01/67/1018490167.db2.gz GTVOHESPRGKCNL-VIFPVBQESA-N -1 0 320.367 -0.982 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H]2C[C@H]1C[S@@]2=O)C(=O)[O-] ZINC001604931229 1018492205 /nfs/dbraw/zinc/49/22/05/1018492205.db2.gz HTYHRIILVAKSGT-UCRVDIRKSA-N -1 0 302.396 -0.193 20 0 DBADRM CS(=O)(=O)NCCOC(=O)C1(C(=O)[O-])CCSCC1 ZINC001604932033 1018492373 /nfs/dbraw/zinc/49/23/73/1018492373.db2.gz MOMNXERNJVXWNL-UHFFFAOYSA-N -1 0 311.381 -0.323 20 0 DBADRM COC(=O)COCC(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001604941123 1018492978 /nfs/dbraw/zinc/49/29/78/1018492978.db2.gz ROQNRPOPAGDHQL-UHFFFAOYSA-N -1 0 307.266 -0.534 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1[C@@H](CO)CC[C@@H]1CO)C(=O)[O-] ZINC001604931665 1018493029 /nfs/dbraw/zinc/49/30/29/1018493029.db2.gz JZYUEZACFGGTGM-WGBDABJCSA-N -1 0 302.371 -0.581 20 0 DBADRM C[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001604944550 1018495564 /nfs/dbraw/zinc/49/55/64/1018495564.db2.gz YKMHTKRHGLJBPN-HORACTTISA-N -1 0 314.367 -0.218 20 0 DBADRM CC[C@@H](C)C[C@H](NS(=O)(=O)N1CCN(C)CC1)C(=O)[O-] ZINC001604954290 1018496164 /nfs/dbraw/zinc/49/61/64/1018496164.db2.gz CZOBPEPGDHHRKK-MNOVXSKESA-N -1 0 307.416 -0.042 20 0 DBADRM C[C@@H](O)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001604994331 1018501551 /nfs/dbraw/zinc/50/15/51/1018501551.db2.gz PLDPEYCSZHINSP-FSDSQADBSA-N -1 0 312.244 -0.510 20 0 DBADRM COC(C)(C)CCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604995500 1018502732 /nfs/dbraw/zinc/50/27/32/1018502732.db2.gz JRRIRYZKCQKPQN-QMMMGPOBSA-N -1 0 308.346 -0.050 20 0 DBADRM CO[C@@H](C(=O)Nc1c[nH]nc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC001604996569 1018502825 /nfs/dbraw/zinc/50/28/25/1018502825.db2.gz YNNOUACTYGGOKV-QMMMGPOBSA-N -1 0 323.313 -0.115 20 0 DBADRM C[C@@H](CO)N(C)C(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001604979251 1018502886 /nfs/dbraw/zinc/50/28/86/1018502886.db2.gz VIFGLWVYZBDXQR-QWRGUYRKSA-N -1 0 300.355 -0.071 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H](C)CCNc1cnc(-c2nn[nH]n2)cn1 ZINC001604999203 1018504027 /nfs/dbraw/zinc/50/40/27/1018504027.db2.gz AUIZCZIJRUZYSG-DTWKUNHWSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H](C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001605000252 1018505441 /nfs/dbraw/zinc/50/54/41/1018505441.db2.gz VJLQTJMPIMAPDG-BDAKNGLRSA-N -1 0 320.357 -0.580 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001605011696 1018505742 /nfs/dbraw/zinc/50/57/42/1018505742.db2.gz FWJZAYYQLPQMAC-YTWAJWBKSA-N -1 0 319.379 -0.194 20 0 DBADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)Cn1ncn2nccc2c1=O ZINC001604999596 1018507253 /nfs/dbraw/zinc/50/72/53/1018507253.db2.gz PXTQGWZXJXNAAV-MWLCHTKSSA-N -1 0 319.321 -0.255 20 0 DBADRM C[C@@H](C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C(F)(F)F ZINC001500902756 1018507833 /nfs/dbraw/zinc/50/78/33/1018507833.db2.gz SQIZBKSJLRAHCY-LURJTMIESA-N -1 0 323.275 -0.628 20 0 DBADRM CC[C@@H](CN1CCOCC1)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605024338 1018509030 /nfs/dbraw/zinc/50/90/30/1018509030.db2.gz GXEAVXHXBULINV-SDDRHHMPSA-N -1 0 320.411 -0.120 20 0 DBADRM CC[C@@H](CNC(=O)Cc1ncc[nH]1)Nc1ccnc(C(=O)[O-])n1 ZINC001605033074 1018509065 /nfs/dbraw/zinc/50/90/65/1018509065.db2.gz PQTVSCIIUVYIGX-VIFPVBQESA-N -1 0 318.337 -0.131 20 0 DBADRM CO[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C[C@@H]1C ZINC001605031728 1018510732 /nfs/dbraw/zinc/51/07/32/1018510732.db2.gz BKXRDCNLUUEVCL-JGVFFNPUSA-N -1 0 321.341 -0.885 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001605025742 1018511232 /nfs/dbraw/zinc/51/12/32/1018511232.db2.gz BAOMSDFXLKXORE-KCJUWKMLSA-N -1 0 307.306 -0.052 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)Nc1ccnc(C(=O)[O-])n1 ZINC001605035821 1018512612 /nfs/dbraw/zinc/51/26/12/1018512612.db2.gz STOOHVIWDBUYCN-RKDXNWHRSA-N -1 0 321.337 -0.818 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001605041450 1018515848 /nfs/dbraw/zinc/51/58/48/1018515848.db2.gz LBXDZSMTFRODBY-SSDOTTSWSA-N -1 0 303.340 -0.230 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001605041240 1018517475 /nfs/dbraw/zinc/51/74/75/1018517475.db2.gz BBALAAIZSJJTJS-HRDYMLBCSA-N -1 0 308.356 -0.937 20 0 DBADRM CC[C@](COC)(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(=O)OC ZINC001605049132 1018518313 /nfs/dbraw/zinc/51/83/13/1018518313.db2.gz LJTHFXPTYJTGBP-VYUIOLGVSA-N -1 0 303.311 -0.297 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@@H]1CCN=C2C1=NNN2C)C(=O)[O-] ZINC001605048355 1018518418 /nfs/dbraw/zinc/51/84/18/1018518418.db2.gz LCWZQLWTZMJPST-OQPBUACISA-N -1 0 311.342 -0.793 20 0 DBADRM CC[C@@H](CO)N1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC001605046382 1018518427 /nfs/dbraw/zinc/51/84/27/1018518427.db2.gz NSOHDVGCDVUEGN-NSHDSACASA-N -1 0 323.415 -0.974 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@H]1CCN=C2C1=NNN2C)C(=O)[O-] ZINC001605048357 1018518538 /nfs/dbraw/zinc/51/85/38/1018518538.db2.gz LCWZQLWTZMJPST-SDBXPKJASA-N -1 0 311.342 -0.793 20 0 DBADRM CC[C@](COC)(NC(=O)c1cn(C(F)(F)CO)nn1)C(=O)[O-] ZINC001605052356 1018518550 /nfs/dbraw/zinc/51/85/50/1018518550.db2.gz GHZRMJTYFPYNLH-SNVBAGLBSA-N -1 0 322.268 -0.571 20 0 DBADRM C[C@H]1C[C@@H](O)CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001605062760 1018520748 /nfs/dbraw/zinc/52/07/48/1018520748.db2.gz GYSXWQNWUZVQCL-VHSXEESVSA-N -1 0 319.379 -0.505 20 0 DBADRM CC[C@@H](F)C(=O)N(C)C[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001605068918 1018521317 /nfs/dbraw/zinc/52/13/17/1018521317.db2.gz OJFDAXQDUDWMMZ-DTWKUNHWSA-N -1 0 314.317 -0.424 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N(CCC(=O)[O-])CC(OC)OC ZINC001605090378 1018526839 /nfs/dbraw/zinc/52/68/39/1018526839.db2.gz YMBKPIZWAYHXMY-JTQLQIEISA-N -1 0 304.343 -0.177 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001605090370 1018529761 /nfs/dbraw/zinc/52/97/61/1018529761.db2.gz YFMSILCNUUJQBC-PSASIEDQSA-N -1 0 323.353 -0.572 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@@H](CCOC)C(=O)[O-])nn1 ZINC001605114262 1018533081 /nfs/dbraw/zinc/53/30/81/1018533081.db2.gz PJKNSNYKUPXHQM-BDAKNGLRSA-N -1 0 300.315 -0.732 20 0 DBADRM COCCOC(=O)N(C)Cn1cnc(-c2nnn[n-]2)cc1=O ZINC001605109754 1018533559 /nfs/dbraw/zinc/53/35/59/1018533559.db2.gz GARMHJHPTPDVOR-UHFFFAOYSA-N -1 0 309.286 -0.904 20 0 DBADRM CC[C@@]1(CO)CCCN1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001605143683 1018535234 /nfs/dbraw/zinc/53/52/34/1018535234.db2.gz FESHHIOWOGIHSY-AWEZNQCLSA-N -1 0 315.370 -0.086 20 0 DBADRM CO[N-]C(=O)CNC(=O)C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001605144113 1018538924 /nfs/dbraw/zinc/53/89/24/1018538924.db2.gz PHKLSVOZOYKHAS-UHFFFAOYSA-N -1 0 316.321 -0.308 20 0 DBADRM CC[C@H]1C(=O)NCCN1Cn1nc(C(=O)[O-])cc1C(=O)OC ZINC001605151775 1018539245 /nfs/dbraw/zinc/53/92/45/1018539245.db2.gz WUYMIPWKPVBITN-VIFPVBQESA-N -1 0 310.310 -0.464 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)CC1CC1 ZINC001500984001 1018540554 /nfs/dbraw/zinc/54/05/54/1018540554.db2.gz ZOYQXTUWXNOFGO-UHFFFAOYSA-N -1 0 309.326 -0.387 20 0 DBADRM CC[C@]1(COC)NC(=O)N(C[C@@H]2CCO[C@@H]2C(=O)[O-])C1=O ZINC001605144801 1018540625 /nfs/dbraw/zinc/54/06/25/1018540625.db2.gz FSUDKTVJXJZNEE-MWODSPESSA-N -1 0 300.311 -0.177 20 0 DBADRM Cc1cc(CCNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)nn1C ZINC001605165494 1018541789 /nfs/dbraw/zinc/54/17/89/1018541789.db2.gz JNWQDVOGOVTWBH-LBPRGKRZSA-N -1 0 322.365 -0.290 20 0 DBADRM COc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1nnc[nH]1 ZINC001605190037 1018541869 /nfs/dbraw/zinc/54/18/69/1018541869.db2.gz ULASTBPOPKRZEC-UHFFFAOYSA-N -1 0 322.310 -0.206 20 0 DBADRM Cc1cc(N2CCC(NC(=O)C(=O)NCCC(=O)[O-])CC2)n[nH]1 ZINC001605187460 1018542763 /nfs/dbraw/zinc/54/27/63/1018542763.db2.gz YXNMLGSKXUXPEK-UHFFFAOYSA-N -1 0 323.353 -0.606 20 0 DBADRM CC[C@@H]1CN(CN2C[C@H](C(=O)[O-])CC2=O)C[C@H](C)S1(=O)=O ZINC001605179296 1018543366 /nfs/dbraw/zinc/54/33/66/1018543366.db2.gz PPUBBSFTPRFTFF-HBNTYKKESA-N -1 0 318.395 -0.226 20 0 DBADRM CC[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC001605180084 1018543978 /nfs/dbraw/zinc/54/39/78/1018543978.db2.gz FIMUJHMBULVMSW-MYQWFSQQSA-N -1 0 310.350 -0.007 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C[C@@H](CC)O1 ZINC001605171559 1018544123 /nfs/dbraw/zinc/54/41/23/1018544123.db2.gz VYGKEXMSKFUWFW-NXEZZACHSA-N -1 0 314.338 -0.940 20 0 DBADRM CCCC(=O)NCC(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001605191106 1018545118 /nfs/dbraw/zinc/54/51/18/1018545118.db2.gz UWGFUTLVSZETNC-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM CCC[C@@H](C(=O)NC1(C(=O)[O-])CCSCC1)S(N)(=O)=O ZINC001605193096 1018545998 /nfs/dbraw/zinc/54/59/98/1018545998.db2.gz RGKBFJXKHAUGGG-QMMMGPOBSA-N -1 0 324.424 -0.090 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001605192949 1018546040 /nfs/dbraw/zinc/54/60/40/1018546040.db2.gz FNZCVILXLLFXAM-HLTSFMKQSA-N -1 0 311.356 -0.528 20 0 DBADRM CCC[C@H](C(=O)N1CCSC[C@@H]1C(=O)[O-])S(N)(=O)=O ZINC001605192384 1018546577 /nfs/dbraw/zinc/54/65/77/1018546577.db2.gz MEBYCPGLLYFOEV-HTQZYQBOSA-N -1 0 310.397 -0.528 20 0 DBADRM CCC[C@H](C(=O)N[C@@](CC)(COC)C(=O)[O-])S(N)(=O)=O ZINC001605192026 1018546596 /nfs/dbraw/zinc/54/65/96/1018546596.db2.gz HOLIYQGZBZBXED-KCJUWKMLSA-N -1 0 310.372 -0.560 20 0 DBADRM CCCCC[C@@H](NC(=O)C1(OC)CS(=O)(=O)C1)C(=O)[O-] ZINC001605258513 1018551914 /nfs/dbraw/zinc/55/19/14/1018551914.db2.gz PMAIMEOVHBQISF-SECBINFHSA-N -1 0 307.368 -0.050 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001605289941 1018552718 /nfs/dbraw/zinc/55/27/18/1018552718.db2.gz RFQBMSPBTJGXPF-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM CCCN([C@H](C)C(=O)[O-])S(=O)(=O)CCN1CCOC1=O ZINC001605302249 1018553226 /nfs/dbraw/zinc/55/32/26/1018553226.db2.gz LVIAFCBVSNKEFJ-SECBINFHSA-N -1 0 308.356 -0.047 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCOCCOCC(=O)[O-])nn1 ZINC001605306254 1018553323 /nfs/dbraw/zinc/55/33/23/1018553323.db2.gz AGQBLKDIWPTPFC-UHFFFAOYSA-N -1 0 319.339 -0.819 20 0 DBADRM Cc1ccc(N2CCN(CC(=O)NCC(=O)[O-])CC2=O)cc1 ZINC001605288562 1018553915 /nfs/dbraw/zinc/55/39/15/1018553915.db2.gz XLSVPOHFJCHDHX-UHFFFAOYSA-N -1 0 305.334 -0.156 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001605271682 1018556135 /nfs/dbraw/zinc/55/61/35/1018556135.db2.gz BNYSRBDCUGKKKF-WDEREUQCSA-N -1 0 321.395 -0.115 20 0 DBADRM CCCNC(=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001605330494 1018558018 /nfs/dbraw/zinc/55/80/18/1018558018.db2.gz GDXNERODDDQZBV-UHFFFAOYSA-N -1 0 324.337 -0.306 20 0 DBADRM CCCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001605325988 1018558903 /nfs/dbraw/zinc/55/89/03/1018558903.db2.gz CLCCWPQDYIVWFW-QMMMGPOBSA-N -1 0 322.321 -0.251 20 0 DBADRM C[S@](=N)(=O)N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001605353094 1018561358 /nfs/dbraw/zinc/56/13/58/1018561358.db2.gz ZPYLUVZJXNUDDS-OAQYLSRUSA-N -1 0 309.359 -0.630 20 0 DBADRM COc1nn(C)cc1NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001605352657 1018561564 /nfs/dbraw/zinc/56/15/64/1018561564.db2.gz UBVUGYKNFQILDY-ZCFIWIBFSA-N -1 0 318.301 -0.600 20 0 DBADRM CCCOc1ccnc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])n1 ZINC001605353902 1018563558 /nfs/dbraw/zinc/56/35/58/1018563558.db2.gz BWFLLVDWDXFRHP-ZJUUUORDSA-N -1 0 309.322 -0.146 20 0 DBADRM CCC[C@H](O)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001605360762 1018566390 /nfs/dbraw/zinc/56/63/90/1018566390.db2.gz CLUCLPDMIRLYJJ-SMDDNHRTSA-N -1 0 300.355 -0.465 20 0 DBADRM Cc1ccncc1[C@H](C)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001605365971 1018569011 /nfs/dbraw/zinc/56/90/11/1018569011.db2.gz SXBRCRJUVOHQIN-JQWIXIFHSA-N -1 0 321.333 -0.121 20 0 DBADRM Cc1ccn(CC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001605360296 1018569087 /nfs/dbraw/zinc/56/90/87/1018569087.db2.gz VYQCNDCGANKIOQ-LLVKDONJSA-N -1 0 308.338 -0.227 20 0 DBADRM CCCc1cnc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])s1 ZINC001605378121 1018569802 /nfs/dbraw/zinc/56/98/02/1018569802.db2.gz NDFNJCXLSMBUKT-ZETCQYMHSA-N -1 0 315.351 -0.014 20 0 DBADRM CCCc1nnc(SCC(=O)N[C@H](CF)C(=O)[O-])n1N ZINC001605383637 1018570526 /nfs/dbraw/zinc/57/05/26/1018570526.db2.gz MXTLHFUUWPEIOE-ZCFIWIBFSA-N -1 0 305.335 -0.425 20 0 DBADRM CCCn1cc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c(C)n1 ZINC001605384840 1018571862 /nfs/dbraw/zinc/57/18/62/1018571862.db2.gz FTRYEJVEOJITIS-LLVKDONJSA-N -1 0 308.338 -0.031 20 0 DBADRM Cc1csc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC001605380312 1018572178 /nfs/dbraw/zinc/57/21/78/1018572178.db2.gz FVYMCKDHEZIKMP-QMMMGPOBSA-N -1 0 313.335 -0.620 20 0 DBADRM CCCn1nnnc1N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001605391318 1018573111 /nfs/dbraw/zinc/57/31/11/1018573111.db2.gz NESNHIHEXVOOPZ-CYBMUJFWSA-N -1 0 310.358 -0.551 20 0 DBADRM CCN([C@H]1CCNC1=O)S(=O)(=O)c1scnc1C(=O)[O-] ZINC001605411429 1018573642 /nfs/dbraw/zinc/57/36/42/1018573642.db2.gz KCTGZCPXQDNMSM-LURJTMIESA-N -1 0 319.364 -0.260 20 0 DBADRM C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ncccc1F ZINC001605403807 1018574036 /nfs/dbraw/zinc/57/40/36/1018574036.db2.gz UVSLOKKPHNTQIG-SSDOTTSWSA-N -1 0 317.288 -0.130 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)CN[C@@]1(C(=O)[O-])CCOC1 ZINC001605413928 1018574126 /nfs/dbraw/zinc/57/41/26/1018574126.db2.gz QKTFIOPGHZKGKG-AWEZNQCLSA-N -1 0 315.370 -0.807 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)c3cc(C(=O)[O-])n[nH]3)CC2)[nH]1 ZINC001605403547 1018574465 /nfs/dbraw/zinc/57/44/65/1018574465.db2.gz MHPVNBJNBPBMFA-UHFFFAOYSA-N -1 0 319.325 -0.508 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cn1C ZINC001605413307 1018575043 /nfs/dbraw/zinc/57/50/43/1018575043.db2.gz DCAANOCFDHWJCH-CABZTGNLSA-N -1 0 315.351 -0.550 20 0 DBADRM Cc1nc(Cn2nnc(C(=O)NC(C)(C)C(=O)[O-])c2C)no1 ZINC001605408399 1018576835 /nfs/dbraw/zinc/57/68/35/1018576835.db2.gz QUOZYBZSAAUHEO-UHFFFAOYSA-N -1 0 308.298 -0.081 20 0 DBADRM C[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001605409624 1018576913 /nfs/dbraw/zinc/57/69/13/1018576913.db2.gz HUOPMJWYOHELGL-HTQZYQBOSA-N -1 0 305.342 -0.122 20 0 DBADRM Cc1nccn1C[C@@H](C)CNC(=O)C(=O)N(C)CCC(=O)[O-] ZINC001605423970 1018577324 /nfs/dbraw/zinc/57/73/24/1018577324.db2.gz ADVBFSPQRDKMDO-JTQLQIEISA-N -1 0 310.354 -0.123 20 0 DBADRM CCN(CC(C)(C)O)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001605418222 1018578668 /nfs/dbraw/zinc/57/86/68/1018578668.db2.gz TWUWDRZHLIMRLT-SNVBAGLBSA-N -1 0 300.355 -0.071 20 0 DBADRM CCN(CC(F)(F)F)C(=O)CN(CC(=O)[O-])CC(=O)OC ZINC001605418809 1018578695 /nfs/dbraw/zinc/57/86/95/1018578695.db2.gz AUUWOAYRALBOOD-UHFFFAOYSA-N -1 0 314.260 -0.043 20 0 DBADRM CCN(CCC(=O)NC)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001605438692 1018582724 /nfs/dbraw/zinc/58/27/24/1018582724.db2.gz IKUMWYTVNBTNPZ-UHFFFAOYSA-N -1 0 304.328 -0.745 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)c1C ZINC001605434637 1018583445 /nfs/dbraw/zinc/58/34/45/1018583445.db2.gz ZOHPZIMARPMWRQ-VIFPVBQESA-N -1 0 323.305 -0.761 20 0 DBADRM CCN(CCS(C)(=O)=O)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001605453208 1018590045 /nfs/dbraw/zinc/59/00/45/1018590045.db2.gz MKATVBRUKBOHAK-UHFFFAOYSA-N -1 0 313.397 -0.453 20 0 DBADRM Cc1noc(CCCNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001605448672 1018591084 /nfs/dbraw/zinc/59/10/84/1018591084.db2.gz HQPANVADOHBYFX-SNVBAGLBSA-N -1 0 324.337 -0.250 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)n1 ZINC001605449110 1018591421 /nfs/dbraw/zinc/59/14/21/1018591421.db2.gz SBIDZWWBIZPEED-UHFFFAOYSA-N -1 0 319.277 -0.231 20 0 DBADRM CCN1C(=O)N[C@@H](c2cn(CC(=O)[O-])nn2)C(C(=O)OC)=C1C ZINC001605466076 1018592032 /nfs/dbraw/zinc/59/20/32/1018592032.db2.gz MNSIQDODKMUECR-NSHDSACASA-N -1 0 323.309 -0.104 20 0 DBADRM CCN1C[C@H](C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)CC1=O ZINC001605465780 1018592458 /nfs/dbraw/zinc/59/24/58/1018592458.db2.gz IMLCBYUXOLDGRJ-MRVPVSSYSA-N -1 0 306.322 -0.098 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(C[C@@H](O)CCC(C)C)c(=O)n1C ZINC001605462811 1018593467 /nfs/dbraw/zinc/59/34/67/1018593467.db2.gz JZGWDPHLMHYTKF-JTQLQIEISA-N -1 0 322.369 -0.167 20 0 DBADRM Cn1c(=O)cc(COC(=O)c2ncccc2C(=O)[O-])n(C)c1=O ZINC001605466292 1018593645 /nfs/dbraw/zinc/59/36/45/1018593645.db2.gz GTUKHDJHPAHIMM-UHFFFAOYSA-N -1 0 319.273 -0.466 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(C[C@H]2CCCOC2)c(=O)n1C ZINC001605462919 1018594122 /nfs/dbraw/zinc/59/41/22/1018594122.db2.gz LIHDHPKNMSYTCR-SECBINFHSA-N -1 0 306.326 -0.538 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1=O ZINC001605467383 1018594406 /nfs/dbraw/zinc/59/44/06/1018594406.db2.gz KNPJCNPFJPVUEX-WDEREUQCSA-N -1 0 321.333 -0.884 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)CC1=O ZINC001605470264 1018594994 /nfs/dbraw/zinc/59/49/94/1018594994.db2.gz ABYKNKBCVQNOLY-NXEZZACHSA-N -1 0 304.368 -0.220 20 0 DBADRM CC(C)OCC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001501208720 1018597717 /nfs/dbraw/zinc/59/77/17/1018597717.db2.gz JMGYVAJZWNAYSK-PHIMTYICSA-N -1 0 309.370 -0.175 20 0 DBADRM Cc1c(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)ccn1C ZINC001605476552 1018599090 /nfs/dbraw/zinc/59/90/90/1018599090.db2.gz ASWMWHJWAHLKOM-UHFFFAOYSA-N -1 0 301.314 -0.465 20 0 DBADRM CCN1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)CC1=O ZINC001605487135 1018599512 /nfs/dbraw/zinc/59/95/12/1018599512.db2.gz ZDZUFJLDWSFXOT-UHFFFAOYSA-N -1 0 306.278 -0.634 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605484884 1018599701 /nfs/dbraw/zinc/59/97/01/1018599701.db2.gz AHACPQHVCQUODF-HBNTYKKESA-N -1 0 314.338 -0.961 20 0 DBADRM CCN1CCO[C@H](C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)C1 ZINC001605482712 1018600834 /nfs/dbraw/zinc/60/08/34/1018600834.db2.gz ATRSHPOKJHPQLG-SMDDNHRTSA-N -1 0 300.355 -0.153 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001605484881 1018602781 /nfs/dbraw/zinc/60/27/81/1018602781.db2.gz AHACPQHVCQUODF-GARJFASQSA-N -1 0 314.338 -0.961 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(c3nnc(CO)n3C)C2)cn1 ZINC001605488294 1018602844 /nfs/dbraw/zinc/60/28/44/1018602844.db2.gz GISBSRYKRIXWSK-ZJUUUORDSA-N -1 0 320.353 -0.264 20 0 DBADRM CCNC(=O)CC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001605489886 1018603884 /nfs/dbraw/zinc/60/38/84/1018603884.db2.gz MXXIVMKVXLBCCZ-UHFFFAOYSA-N -1 0 321.333 -0.105 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001605493218 1018604744 /nfs/dbraw/zinc/60/47/44/1018604744.db2.gz OWFHWRKGFGAWIJ-UHFFFAOYSA-N -1 0 308.338 -0.393 20 0 DBADRM CCNC(=O)CC(=O)NCCCNc1ccnc(C(=O)[O-])n1 ZINC001605490327 1018605049 /nfs/dbraw/zinc/60/50/49/1018605049.db2.gz SZVVVTQUDPHYEN-UHFFFAOYSA-N -1 0 309.326 -0.959 20 0 DBADRM CCNC(=O)C[C@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001605490748 1018605749 /nfs/dbraw/zinc/60/57/49/1018605749.db2.gz XCUXSMFRTGYIAJ-SNVBAGLBSA-N -1 0 323.353 -0.116 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-])C(C)=O ZINC001605507568 1018606595 /nfs/dbraw/zinc/60/65/95/1018606595.db2.gz GIJDGIJHDTZVKU-CKYFFXLPSA-N -1 0 315.322 -0.419 20 0 DBADRM CCOC(=O)[C@@H](CO)NC(=O)CCc1ocnc1C(=O)[O-] ZINC001605508192 1018607250 /nfs/dbraw/zinc/60/72/50/1018607250.db2.gz HVWDNLCPMUKWCE-SSDOTTSWSA-N -1 0 300.267 -0.654 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@H](C)CC(N)=O ZINC001605506749 1018607495 /nfs/dbraw/zinc/60/74/95/1018607495.db2.gz OPSUUJROWAAABY-ZCFIWIBFSA-N -1 0 305.298 -0.731 20 0 DBADRM Cn1ccc(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)c1 ZINC001605505857 1018607935 /nfs/dbraw/zinc/60/79/35/1018607935.db2.gz SOGPNQDHXFERAG-UHFFFAOYSA-N -1 0 305.294 -0.439 20 0 DBADRM Cn1cc([C@@H]2C[C@H]2C(=O)NCCOCCOCC(=O)[O-])cn1 ZINC001605501569 1018608589 /nfs/dbraw/zinc/60/85/89/1018608589.db2.gz RNYHRQAFCGGZIN-NWDGAFQWSA-N -1 0 311.338 -0.242 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001605498791 1018608606 /nfs/dbraw/zinc/60/86/06/1018608606.db2.gz GFSBUPYCMIREMG-UHEGKEBESA-N -1 0 316.379 -0.219 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)Nc1ncn(C)n1 ZINC001605510871 1018609860 /nfs/dbraw/zinc/60/98/60/1018609860.db2.gz LXYZBPCFZZYOBG-UHFFFAOYSA-N -1 0 301.270 -0.343 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NC[C@H]1COCO1 ZINC001605509917 1018610459 /nfs/dbraw/zinc/61/04/59/1018610459.db2.gz LMYAMIJTDZTVMH-ZETCQYMHSA-N -1 0 306.282 -0.622 20 0 DBADRM CCOC(=O)[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CC1 ZINC001605517331 1018611014 /nfs/dbraw/zinc/61/10/14/1018611014.db2.gz YRPVIVZKYVAXHR-MRVPVSSYSA-N -1 0 317.323 -0.272 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)Nc1nnn(C)n1 ZINC001605510418 1018611072 /nfs/dbraw/zinc/61/10/72/1018611072.db2.gz AEJCIYJPWHJIJI-UHFFFAOYSA-N -1 0 302.258 -0.948 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCCn1cccn1 ZINC001605510611 1018611176 /nfs/dbraw/zinc/61/11/76/1018611176.db2.gz SBHUXZDUHCTXCG-UHFFFAOYSA-N -1 0 314.309 -0.098 20 0 DBADRM Cn1ccnc1N1CCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001605511668 1018611582 /nfs/dbraw/zinc/61/15/82/1018611582.db2.gz FUDPMZCOZACGFD-NSHDSACASA-N -1 0 307.354 -0.772 20 0 DBADRM Cn1cnc(NC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001605519767 1018611906 /nfs/dbraw/zinc/61/19/06/1018611906.db2.gz PVQFJNNMVMKXRL-QMMMGPOBSA-N -1 0 310.314 -0.598 20 0 DBADRM Cn1cccc1C(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001605511591 1018611988 /nfs/dbraw/zinc/61/19/88/1018611988.db2.gz NZMWRYZXDLJWOT-SNVBAGLBSA-N -1 0 300.336 -0.609 20 0 DBADRM Cn1ccnc1CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001605512643 1018612068 /nfs/dbraw/zinc/61/20/68/1018612068.db2.gz YKNQYUDIFKLIDS-WDEREUQCSA-N -1 0 320.349 -0.395 20 0 DBADRM Cn1cnnc1C1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001605522374 1018614462 /nfs/dbraw/zinc/61/44/62/1018614462.db2.gz FSSJHZAPHHEYEJ-SNVBAGLBSA-N -1 0 307.310 -0.249 20 0 DBADRM Cn1nc(Br)cc1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001605528693 1018615208 /nfs/dbraw/zinc/61/52/08/1018615208.db2.gz RFKSLOOCKWMSAU-SECBINFHSA-N -1 0 306.116 -0.252 20 0 DBADRM CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cn1cnc(C(=O)[O-])n1 ZINC001605534690 1018616436 /nfs/dbraw/zinc/61/64/36/1018616436.db2.gz FTGCFSKCVQUOOZ-UWVGGRQHSA-N -1 0 312.326 -0.024 20 0 DBADRM Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)NCCC(=O)[O-] ZINC001605544991 1018617411 /nfs/dbraw/zinc/61/74/11/1018617411.db2.gz BJYIYZLWFOWNBG-SECBINFHSA-N -1 0 310.310 -0.199 20 0 DBADRM Cn1nccc1[C@H](NC(=O)c1cn2c(n1)COCC2)C(=O)[O-] ZINC001605568578 1018624525 /nfs/dbraw/zinc/62/45/25/1018624525.db2.gz WWAMFVTZSBMDJK-NSHDSACASA-N -1 0 305.294 -0.298 20 0 DBADRM CCOC(=O)c1cnc(C)c(C(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001605580324 1018626634 /nfs/dbraw/zinc/62/66/34/1018626634.db2.gz VVLBBNGGUFAIKE-UHFFFAOYSA-N -1 0 308.290 -0.162 20 0 DBADRM Cn1nnc2cc(C(=O)NCCOCCOCC(=O)[O-])ccc21 ZINC001605571263 1018628418 /nfs/dbraw/zinc/62/84/18/1018628418.db2.gz NYPBJWJPSGNPBW-UHFFFAOYSA-N -1 0 322.321 -0.184 20 0 DBADRM CCOC(=O)c1cnc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])cn1 ZINC001605579837 1018628548 /nfs/dbraw/zinc/62/85/48/1018628548.db2.gz KPBBMINUGOUBDQ-SNVBAGLBSA-N -1 0 322.321 -0.177 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NCC(=O)N2CCN(C)CC2)n1 ZINC001605573402 1018629474 /nfs/dbraw/zinc/62/94/74/1018629474.db2.gz TXEMPMCXSYNWAD-UHFFFAOYSA-N -1 0 317.357 -0.849 20 0 DBADRM CCO[C@@H]1C[C@](NC(=O)CCNC(N)=O)(C(=O)[O-])C1(C)C ZINC001605603814 1018631395 /nfs/dbraw/zinc/63/13/95/1018631395.db2.gz GQHJDMCJTHIIQI-OQPBUACISA-N -1 0 301.343 -0.181 20 0 DBADRM Cc1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)cc(=O)[nH]1 ZINC001605613526 1018632541 /nfs/dbraw/zinc/63/25/41/1018632541.db2.gz JLWNXWNMCJMMSZ-UHFFFAOYSA-N -1 0 315.297 -0.703 20 0 DBADRM CCO[C@H]1C[C@@](NC(=O)CS(C)(=O)=O)(C(=O)[O-])C1(C)C ZINC001605603850 1018633337 /nfs/dbraw/zinc/63/33/37/1018633337.db2.gz HPHMSPQYPHANTF-QPUJVOFHSA-N -1 0 307.368 -0.194 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001605624310 1018634877 /nfs/dbraw/zinc/63/48/77/1018634877.db2.gz AKPXDJADTOUQKI-SNVBAGLBSA-N -1 0 313.310 -0.382 20 0 DBADRM CCOC1CC2(C[C@@H]2C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC001605615400 1018634932 /nfs/dbraw/zinc/63/49/32/1018634932.db2.gz MPNBIENUBHZIIH-YJVGMPMCSA-N -1 0 310.350 -0.007 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1nnn2cc(C)[nH]c(=O)c12 ZINC001605622602 1018635056 /nfs/dbraw/zinc/63/50/56/1018635056.db2.gz UHJBRFUTUBGZLQ-QMMMGPOBSA-N -1 0 323.309 -0.300 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cnc2c(c1)nnn2C ZINC001605622642 1018635773 /nfs/dbraw/zinc/63/57/73/1018635773.db2.gz VAPQHMNPBLWTNB-SNVBAGLBSA-N -1 0 307.310 -0.075 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC001605627224 1018638593 /nfs/dbraw/zinc/63/85/93/1018638593.db2.gz XKXIOGWLDUBOCV-JKERVTFKSA-N -1 0 307.262 -0.263 20 0 DBADRM CCOCCO[C@@H](C)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001605638140 1018640923 /nfs/dbraw/zinc/64/09/23/1018640923.db2.gz KRIGBFAXCNNGPM-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM NC(=O)Cc1csc(NC(=O)c2cnc(C(=O)[O-])cn2)n1 ZINC001605634356 1018640946 /nfs/dbraw/zinc/64/09/46/1018640946.db2.gz LNZUQALERWOMDE-UHFFFAOYSA-N -1 0 307.291 -0.089 20 0 DBADRM NS(=O)(=O)c1n[nH]cc1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001605649088 1018642731 /nfs/dbraw/zinc/64/27/31/1018642731.db2.gz ORUYWVNHACTJDP-SSDOTTSWSA-N -1 0 316.339 -0.616 20 0 DBADRM CCO[C@@H]1COC[C@H]1N1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001605651753 1018642903 /nfs/dbraw/zinc/64/29/03/1018642903.db2.gz RTNKSFMUMIZKBC-UKKRHICBSA-N -1 0 312.322 -0.082 20 0 DBADRM NC1=CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)N1 ZINC001605643080 1018642968 /nfs/dbraw/zinc/64/29/68/1018642968.db2.gz KUICLBYKLYQRMH-NSHDSACASA-N -1 0 301.306 -0.147 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)C2(C(=O)[O-])CCCCC2)CC1 ZINC001605643129 1018643425 /nfs/dbraw/zinc/64/34/25/1018643425.db2.gz MDEDVPLVARSRNP-UHFFFAOYSA-N -1 0 304.368 -0.041 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001605651334 1018643585 /nfs/dbraw/zinc/64/35/85/1018643585.db2.gz ABMVSOINNSUNAY-UTUOFQBUSA-N -1 0 316.354 -0.343 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CC1 ZINC001605643391 1018643718 /nfs/dbraw/zinc/64/37/18/1018643718.db2.gz SHERTMYVFFTOGP-BDAKNGLRSA-N -1 0 320.367 -0.806 20 0 DBADRM CCOc1ccc(C(=O)NCC(=O)NC[C@H](O)CC(=O)[O-])cc1 ZINC001605679165 1018645107 /nfs/dbraw/zinc/64/51/07/1018645107.db2.gz CZTHVVHABIIXQY-LLVKDONJSA-N -1 0 324.333 -0.233 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C[C@H]1CCS(=O)(=O)C1)C2 ZINC001605670336 1018645944 /nfs/dbraw/zinc/64/59/44/1018645944.db2.gz KAEMGLJDBAKLMR-GIPNMCIBSA-N -1 0 317.363 -0.629 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)C1CCC1 ZINC001605693784 1018646716 /nfs/dbraw/zinc/64/67/16/1018646716.db2.gz HFZVFSLYLMSUPD-LLVKDONJSA-N -1 0 318.395 -0.666 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@H](Cc1ccccc1O)C(=O)[O-] ZINC001605718858 1018649149 /nfs/dbraw/zinc/64/91/49/1018649149.db2.gz PYYMITIJZVWFNB-SNVBAGLBSA-N -1 0 315.347 -0.061 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CN1CCS(=O)(=O)CC1)C1CCC1 ZINC001605693789 1018649251 /nfs/dbraw/zinc/64/92/51/1018649251.db2.gz HFZVFSLYLMSUPD-NSHDSACASA-N -1 0 318.395 -0.666 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001605719979 1018649499 /nfs/dbraw/zinc/64/94/99/1018649499.db2.gz FZEMNSPAWCVVGR-QMMMGPOBSA-N -1 0 303.340 -0.479 20 0 DBADRM CCS(=O)(=O)C1CCN(Cc2cn(CC(=O)[O-])nn2)CC1 ZINC001605719059 1018649792 /nfs/dbraw/zinc/64/97/92/1018649792.db2.gz STJCGAWSRURSKW-UHFFFAOYSA-N -1 0 316.383 -0.238 20 0 DBADRM CCS(=O)(=O)C1(CN2C(=O)N[C@H](CCC(=O)[O-])C2=O)CC1 ZINC001605719175 1018649834 /nfs/dbraw/zinc/64/98/34/1018649834.db2.gz XFJKJJXUOMHIMW-MRVPVSSYSA-N -1 0 318.351 -0.261 20 0 DBADRM CCS(=O)(=O)CC(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001605720301 1018650273 /nfs/dbraw/zinc/65/02/73/1018650273.db2.gz HSOGOALFBCJIDL-QMMMGPOBSA-N -1 0 307.324 -0.960 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)CN1CCOCC1=O ZINC001605693907 1018650446 /nfs/dbraw/zinc/65/04/46/1018650446.db2.gz NLMVEOJGYSMHAM-NSHDSACASA-N -1 0 307.306 -0.948 20 0 DBADRM CCS(=O)(=O)CC(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001605720296 1018650736 /nfs/dbraw/zinc/65/07/36/1018650736.db2.gz HSOGOALFBCJIDL-MRVPVSSYSA-N -1 0 307.324 -0.960 20 0 DBADRM O=C([O-])C(=O)COC(=O)Cn1ccc(Br)cc1=O ZINC001605725120 1018651690 /nfs/dbraw/zinc/65/16/90/1018651690.db2.gz BDEFZFBVZVJWSK-UHFFFAOYSA-N -1 0 318.079 -0.192 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001605726638 1018651770 /nfs/dbraw/zinc/65/17/70/1018651770.db2.gz ZOXBOAYDUMAXOL-HLTSFMKQSA-N -1 0 308.356 -0.985 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001605725824 1018652009 /nfs/dbraw/zinc/65/20/09/1018652009.db2.gz IIQMXDPTLKBQHI-PSASIEDQSA-N -1 0 306.384 -0.069 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC001605726551 1018652156 /nfs/dbraw/zinc/65/21/56/1018652156.db2.gz VZHAQDHNZHWHIQ-NTSWFWBYSA-N -1 0 320.289 -0.164 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001605726554 1018652420 /nfs/dbraw/zinc/65/24/20/1018652420.db2.gz VZHAQDHNZHWHIQ-WDSKDSINSA-N -1 0 320.289 -0.164 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001605724616 1018652943 /nfs/dbraw/zinc/65/29/43/1018652943.db2.gz ABOHCCQQTPEZDU-QWRGUYRKSA-N -1 0 318.395 -0.115 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001605727444 1018653248 /nfs/dbraw/zinc/65/32/48/1018653248.db2.gz DTJCDMGRAHPMEN-UHFFFAOYSA-N -1 0 303.340 -0.228 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1ccn2nnnc2c1 ZINC001605728786 1018654403 /nfs/dbraw/zinc/65/44/03/1018654403.db2.gz BAROXVHCXFVXCK-LLVKDONJSA-N -1 0 312.289 -0.055 20 0 DBADRM CCSCCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001605738611 1018654610 /nfs/dbraw/zinc/65/46/10/1018654610.db2.gz AVJIHTIBIHMJBB-ZJUUUORDSA-N -1 0 318.395 -0.460 20 0 DBADRM O=C([O-])c1c[nH]nc1NC(=O)Cn1nnc2ccccc2c1=O ZINC001605732188 1018654823 /nfs/dbraw/zinc/65/48/23/1018654823.db2.gz XRXLPBLSMYQPJB-UHFFFAOYSA-N -1 0 314.261 -0.149 20 0 DBADRM CC[S@](=O)CCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605736847 1018655308 /nfs/dbraw/zinc/65/53/08/1018655308.db2.gz RPPDYNCJFGAQIL-FQJNGZCASA-N -1 0 320.367 -0.730 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]CC[N@H+](C)CC(=O)[O-] ZINC001605734550 1018655723 /nfs/dbraw/zinc/65/57/23/1018655723.db2.gz NVJYVSFJBBLBFO-UHFFFAOYSA-N -1 0 315.417 -0.655 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC001605742618 1018656081 /nfs/dbraw/zinc/65/60/81/1018656081.db2.gz BVOADDOWMKNAOT-PSASIEDQSA-N -1 0 310.310 -0.722 20 0 DBADRM CC[C@@H](C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1)N(C)C ZINC001605746913 1018656382 /nfs/dbraw/zinc/65/63/82/1018656382.db2.gz KIBCTRQJRFGDRA-JTQLQIEISA-N -1 0 320.411 -0.135 20 0 DBADRM CC[S@](=O)c1ccccc1C(=O)NCC(=O)NCC(=O)[O-] ZINC001605735126 1018656432 /nfs/dbraw/zinc/65/64/32/1018656432.db2.gz CWUJOYCMUTWZKG-NRFANRHFSA-N -1 0 312.347 -0.255 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)Nc1n[nH]nc1C(=O)NC1CC1 ZINC001605742678 1018656485 /nfs/dbraw/zinc/65/64/85/1018656485.db2.gz COFKHJMFJOYAKG-SSDOTTSWSA-N -1 0 308.298 -0.222 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001605752582 1018657628 /nfs/dbraw/zinc/65/76/28/1018657628.db2.gz ISSITCGVYKHBAO-WCBMZHEXSA-N -1 0 306.322 -0.684 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001605752515 1018658895 /nfs/dbraw/zinc/65/88/95/1018658895.db2.gz BHFYQRQEJKEMAM-VHSXEESVSA-N -1 0 306.322 -0.684 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001605749379 1018658998 /nfs/dbraw/zinc/65/89/98/1018658998.db2.gz MSNMRLQLURHEMO-GUBZILKMSA-N -1 0 321.337 -0.077 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCc3nnnn3CC2)C1 ZINC001605752658 1018659570 /nfs/dbraw/zinc/65/95/70/1018659570.db2.gz MXHZCFJWKGHTSB-BBBLOLIVSA-N -1 0 308.342 -0.070 20 0 DBADRM CCc1c(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)[nH]c(C)c1C(N)=O ZINC001605777188 1018661050 /nfs/dbraw/zinc/66/10/50/1018661050.db2.gz FDSCOZBHHHEMRW-RKDXNWHRSA-N -1 0 323.349 -0.108 20 0 DBADRM CCc1cc(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)n[nH]1 ZINC001605798608 1018661508 /nfs/dbraw/zinc/66/15/08/1018661508.db2.gz OUUSXKOKTXDUAY-UHFFFAOYSA-N -1 0 308.338 -0.089 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NCCC2CC(O)C2)c1 ZINC001605775189 1018662944 /nfs/dbraw/zinc/66/29/44/1018662944.db2.gz IQBGAJIBTQMRRY-UHFFFAOYSA-N -1 0 307.306 -0.005 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])nn1C ZINC001605800008 1018663193 /nfs/dbraw/zinc/66/31/93/1018663193.db2.gz VISFHXXAFMAYRA-CBAPKCEASA-N -1 0 312.301 -0.055 20 0 DBADRM CCc1cc(NC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)n(C)n1 ZINC001605800594 1018663243 /nfs/dbraw/zinc/66/32/43/1018663243.db2.gz AUFOBRMDGZAYNT-UHFFFAOYSA-N -1 0 320.309 -0.009 20 0 DBADRM CCc1n[nH]cc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001605777156 1018663307 /nfs/dbraw/zinc/66/33/07/1018663307.db2.gz CLNXZPJXSDQBIL-ZJUUUORDSA-N -1 0 320.349 -0.023 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)c(NC[C@H](C)NC(=O)CC(N)=O)n1 ZINC001605785654 1018663619 /nfs/dbraw/zinc/66/36/19/1018663619.db2.gz JWDKTRBTUJQAGJ-QMMMGPOBSA-N -1 0 318.341 -0.638 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cn1 ZINC001605861115 1018666327 /nfs/dbraw/zinc/66/63/27/1018666327.db2.gz JMSVSEIXQDKLMO-KOLCDFICSA-N -1 0 322.321 -0.586 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC001605837423 1018667230 /nfs/dbraw/zinc/66/72/30/1018667230.db2.gz JONQNWCQUAFLJD-XDMRBOTDSA-N -1 0 310.350 -0.271 20 0 DBADRM CCc1ccc(NC(=O)C(=O)NC(CO)CO)c(C(=O)[O-])c1 ZINC001605818163 1018667273 /nfs/dbraw/zinc/66/72/73/1018667273.db2.gz QWFDEIZIYQEJGL-UHFFFAOYSA-N -1 0 310.306 -0.645 20 0 DBADRM CCc1nnc(CN2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)o1 ZINC001605869793 1018668541 /nfs/dbraw/zinc/66/85/41/1018668541.db2.gz LZVSTCKOGQYDIR-VHSXEESVSA-N -1 0 308.338 -0.003 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001605867273 1018668682 /nfs/dbraw/zinc/66/86/82/1018668682.db2.gz UPJBKFBJVZHPIW-HTQZYQBOSA-N -1 0 315.307 -0.941 20 0 DBADRM CCc1nnsc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001605874643 1018669105 /nfs/dbraw/zinc/66/91/05/1018669105.db2.gz ZVOBIBZXPGWMKK-SSDOTTSWSA-N -1 0 319.364 -0.576 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)C(=O)Nc1cnsn1 ZINC001605873921 1018669153 /nfs/dbraw/zinc/66/91/53/1018669153.db2.gz PQJNHUUGERJVLK-QMMMGPOBSA-N -1 0 321.318 -0.316 20 0 DBADRM O=C([O-])C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O ZINC001605878799 1018669314 /nfs/dbraw/zinc/66/93/14/1018669314.db2.gz PARXPVBJMXRKIN-CQSZACIVSA-N -1 0 304.258 -0.130 20 0 DBADRM CCC1N=NC(=S)N1CCNC(=O)[C@H]([NH3+])CCC(=O)[O-] ZINC001605873387 1018669364 /nfs/dbraw/zinc/66/93/64/1018669364.db2.gz IFHHWPXQIZBYQX-SSDOTTSWSA-N -1 0 301.372 -0.563 20 0 DBADRM CCc1nnc(CN2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)o1 ZINC001605869792 1018669765 /nfs/dbraw/zinc/66/97/65/1018669765.db2.gz LZVSTCKOGQYDIR-UWVGGRQHSA-N -1 0 308.338 -0.003 20 0 DBADRM CCc1nncn1CCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001605873669 1018669964 /nfs/dbraw/zinc/66/99/64/1018669964.db2.gz KUQJUMDBMLOCAH-UHFFFAOYSA-N -1 0 323.353 -0.720 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1C[C@@H](O)C[C@H]1CO ZINC001605863282 1018670250 /nfs/dbraw/zinc/67/02/50/1018670250.db2.gz LYRGIJQIGUPKBT-IUCAKERBSA-N -1 0 308.290 -0.723 20 0 DBADRM CCc1noc(COCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])n1 ZINC001605877680 1018670496 /nfs/dbraw/zinc/67/04/96/1018670496.db2.gz PXCCNUGTKQBDDX-VIFPVBQESA-N -1 0 323.309 -0.316 20 0 DBADRM O=C([O-])C1(C(=O)OC[C@H]2CCOC2)CCS(=O)(=O)CC1 ZINC001605950774 1018682412 /nfs/dbraw/zinc/68/24/12/1018682412.db2.gz DUTZJXHIICCGOK-VIFPVBQESA-N -1 0 306.336 -0.154 20 0 DBADRM CCn1cc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001605915013 1018672202 /nfs/dbraw/zinc/67/22/02/1018672202.db2.gz AJMKBLSKWYMJST-UWVGGRQHSA-N -1 0 321.337 -0.699 20 0 DBADRM CCn1c(CS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001605907118 1018672406 /nfs/dbraw/zinc/67/24/06/1018672406.db2.gz YKNZLQKQKWBOOG-MRVPVSSYSA-N -1 0 302.356 -0.247 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)C2=C[S@](=O)CCC2)CC1 ZINC001605885801 1018672892 /nfs/dbraw/zinc/67/28/92/1018672892.db2.gz RAXHMQFTHGYBRF-HXUWFJFHSA-N -1 0 300.336 -0.832 20 0 DBADRM CCn1c(=O)[nH]c2cc(C(=O)NCC(=O)NCC(=O)[O-])ccc21 ZINC001605899374 1018672947 /nfs/dbraw/zinc/67/29/47/1018672947.db2.gz NXLGLUJFOOTMLA-UHFFFAOYSA-N -1 0 320.305 -0.308 20 0 DBADRM CCn1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001605915012 1018673012 /nfs/dbraw/zinc/67/30/12/1018673012.db2.gz AJMKBLSKWYMJST-NXEZZACHSA-N -1 0 321.337 -0.699 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ccnc3ccnn32)CC1 ZINC001605885652 1018673237 /nfs/dbraw/zinc/67/32/37/1018673237.db2.gz DCQMQOLKWDCNTE-UHFFFAOYSA-N -1 0 303.278 -0.902 20 0 DBADRM CCn1cc(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001605915509 1018673985 /nfs/dbraw/zinc/67/39/85/1018673985.db2.gz PSINRGJNTXXBAC-RYUDHWBXSA-N -1 0 320.349 -0.094 20 0 DBADRM CCn1cc(C(=O)C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)cn1 ZINC001605915558 1018674204 /nfs/dbraw/zinc/67/42/04/1018674204.db2.gz SFNZRKYBGHGKLL-KOLCDFICSA-N -1 0 309.322 -0.061 20 0 DBADRM CCn1cc(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)nn1 ZINC001605917305 1018674363 /nfs/dbraw/zinc/67/43/63/1018674363.db2.gz OFFHDFQXJZZBLB-UHFFFAOYSA-N -1 0 319.325 -0.560 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN([C@@H]3CCOC3)CC2)CCOCC1 ZINC001605916017 1018675526 /nfs/dbraw/zinc/67/55/26/1018675526.db2.gz CRLYKZKBWRYWRB-GFCCVEGCSA-N -1 0 312.366 -0.199 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CCN3CCOC[C@@]3(CO)C2)CC=CCC1 ZINC001605916189 1018675545 /nfs/dbraw/zinc/67/55/45/1018675545.db2.gz LJEIURMFDKCZSL-HOTGVXAUSA-N -1 0 324.377 -0.297 20 0 DBADRM CCn1cc(CC(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001605920315 1018675583 /nfs/dbraw/zinc/67/55/83/1018675583.db2.gz ISJWGXAQXNGHKN-RYUDHWBXSA-N -1 0 320.349 -0.507 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])cn1 ZINC001605924428 1018677658 /nfs/dbraw/zinc/67/76/58/1018677658.db2.gz CQVPELVXQHVWBP-WPRPVWTQSA-N -1 0 303.340 -0.329 20 0 DBADRM O=C([O-])C1(C(=O)NCC[C@@H]2CCCS2(=O)=O)CCOCC1 ZINC001605924940 1018677795 /nfs/dbraw/zinc/67/77/95/1018677795.db2.gz GTOOBYALGIGOQP-JTQLQIEISA-N -1 0 319.379 -0.049 20 0 DBADRM CCn1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])n1 ZINC001605926362 1018678144 /nfs/dbraw/zinc/67/81/44/1018678144.db2.gz VIPXRTIGORUZDC-UHFFFAOYSA-N -1 0 310.354 -0.238 20 0 DBADRM CCn1ncc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1C ZINC001605941741 1018679011 /nfs/dbraw/zinc/67/90/11/1018679011.db2.gz ZGFWILTVAWMEKS-WDEREUQCSA-N -1 0 320.349 -0.127 20 0 DBADRM CCn1nccc1S(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001605946296 1018679122 /nfs/dbraw/zinc/67/91/22/1018679122.db2.gz SAUPBQINFOEEMB-PSASIEDQSA-N -1 0 303.340 -0.498 20 0 DBADRM CCn1ncc(CN2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001605940816 1018679855 /nfs/dbraw/zinc/67/98/55/1018679855.db2.gz GMKHXEDLSVZVNO-VXGBXAGGSA-N -1 0 307.354 -0.433 20 0 DBADRM CCn1nccc1S(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001605946297 1018680051 /nfs/dbraw/zinc/68/00/51/1018680051.db2.gz SAUPBQINFOEEMB-SCZZXKLOSA-N -1 0 303.340 -0.498 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CCC[C@](C)(C(=O)[O-])C2)n1 ZINC001605941608 1018680250 /nfs/dbraw/zinc/68/02/50/1018680250.db2.gz ZPGOMIMMJGXWQK-AWEZNQCLSA-N -1 0 323.353 -0.373 20 0 DBADRM CCn1nccc1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001605945659 1018680510 /nfs/dbraw/zinc/68/05/10/1018680510.db2.gz SFEZXRYQRSLMEY-HNNXBMFYSA-N -1 0 322.365 -0.096 20 0 DBADRM CCn1ncc(CNS(=O)(=O)c2cc(C(=O)[O-])no2)n1 ZINC001605941478 1018680675 /nfs/dbraw/zinc/68/06/75/1018680675.db2.gz XMWMEZDCMXDPJS-UHFFFAOYSA-N -1 0 301.284 -0.537 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001605955649 1018681357 /nfs/dbraw/zinc/68/13/57/1018681357.db2.gz BHSXEDWPXDZDLD-DTWKUNHWSA-N -1 0 322.321 -0.871 20 0 DBADRM O=C([O-])C1(C(=O)OC[C@@H]2CCCO2)CCS(=O)(=O)CC1 ZINC001605952444 1018681629 /nfs/dbraw/zinc/68/16/29/1018681629.db2.gz WUTDUKCCVAVYGJ-VIFPVBQESA-N -1 0 306.336 -0.012 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cncn2C)C1 ZINC001605956038 1018681701 /nfs/dbraw/zinc/68/17/01/1018681701.db2.gz FCXOPHCGQLCONQ-ZJUUUORDSA-N -1 0 306.322 -0.576 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)CCc2ccon2)C1 ZINC001605955977 1018682060 /nfs/dbraw/zinc/68/20/60/1018682060.db2.gz CYJZYTLLWIYHMN-RYUDHWBXSA-N -1 0 321.333 -0.003 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001605957522 1018682549 /nfs/dbraw/zinc/68/25/49/1018682549.db2.gz RPSVKHZTZJNUAI-RKDXNWHRSA-N -1 0 322.321 -0.871 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@H](C(C)(C)O)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605952357 1018682611 /nfs/dbraw/zinc/68/26/11/1018682611.db2.gz UPYWXYDJGZHEPW-GARJFASQSA-N -1 0 312.366 -0.073 20 0 DBADRM Cc1ccn(CN(C)Cc2cn(C)nn2)c(=O)c1-c1nnn[n-]1 ZINC001605948524 1018682639 /nfs/dbraw/zinc/68/26/39/1018682639.db2.gz ARLRBXMTWPTFJV-UHFFFAOYSA-N -1 0 315.341 -0.445 20 0 DBADRM CN(C(=O)C(=O)Nc1sccc1C(=O)[O-])[C@H]1CCNC1=O ZINC001605951144 1018683259 /nfs/dbraw/zinc/68/32/59/1018683259.db2.gz TYCOIMRXAPEHMY-ZETCQYMHSA-N -1 0 311.319 -0.268 20 0 DBADRM CN(C(=O)CCn1cccn1)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001605960753 1018684358 /nfs/dbraw/zinc/68/43/58/1018684358.db2.gz HJGHNSATOVOUTA-VXGBXAGGSA-N -1 0 320.349 -0.337 20 0 DBADRM CN(C(=O)CN1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1)C1CC1 ZINC001605960934 1018685377 /nfs/dbraw/zinc/68/53/77/1018685377.db2.gz OBDBLZXAAYCQDM-VXGBXAGGSA-N -1 0 309.366 -0.624 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(Cc2nnnn2C2CC2)C1 ZINC001605957874 1018685946 /nfs/dbraw/zinc/68/59/46/1018685946.db2.gz WKOMSHPPYVPLLM-QWRGUYRKSA-N -1 0 320.353 -0.629 20 0 DBADRM CN(C(=O)CN1CCOCC1=O)[C@@H](COC1CCC1)C(=O)[O-] ZINC001605961811 1018686051 /nfs/dbraw/zinc/68/60/51/1018686051.db2.gz GLDHOPLBMAOERK-NSHDSACASA-N -1 0 314.338 -0.674 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2ccn(C)n2)C1 ZINC001605958211 1018686106 /nfs/dbraw/zinc/68/61/06/1018686106.db2.gz XKNFVDGPNHMYAH-ZJUUUORDSA-N -1 0 306.322 -0.576 20 0 DBADRM CN(C)C(=O)/C=C/C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001605992891 1018687790 /nfs/dbraw/zinc/68/77/90/1018687790.db2.gz ATZRNQBRAIDDEC-NWALNABHSA-N -1 0 307.310 -0.606 20 0 DBADRM CN(C(=O)c1ccnn1C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605985555 1018687911 /nfs/dbraw/zinc/68/79/11/1018687911.db2.gz VOFPRLVDLYDOMT-UWVGGRQHSA-N -1 0 306.322 -0.576 20 0 DBADRM CN(C(=O)c1nc[nH]n1)[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001605988523 1018688004 /nfs/dbraw/zinc/68/80/04/1018688004.db2.gz GLOYAVVWXZMWNX-VIFPVBQESA-N -1 0 317.309 -0.356 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)C1 ZINC001605977958 1018688392 /nfs/dbraw/zinc/68/83/92/1018688392.db2.gz ORNXAZWJUZAIQI-VWYCJHECSA-N -1 0 316.379 -0.472 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CC(=O)N(CCC(F)(F)F)C2)C1 ZINC001605978645 1018688447 /nfs/dbraw/zinc/68/84/47/1018688447.db2.gz ZRERHHTUOJKDED-QMMMGPOBSA-N -1 0 323.271 -0.069 20 0 DBADRM CN(C(=O)c1ccc(S(N)(=O)=O)cn1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605981800 1018689084 /nfs/dbraw/zinc/68/90/84/1018689084.db2.gz CCHHEXXOCYRXLH-OCAPTIKFSA-N -1 0 313.335 -0.336 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=S)NCCCC(=O)[O-])O1 ZINC001605990974 1018689176 /nfs/dbraw/zinc/68/91/76/1018689176.db2.gz CNHOTMYADBWXBU-VHSXEESVSA-N -1 0 317.411 -0.049 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(OCc2nnn(CC(F)(F)F)n2)C1 ZINC001605977788 1018689214 /nfs/dbraw/zinc/68/92/14/1018689214.db2.gz MOHXWZGMAGMUQJ-RXMQYKEDSA-N -1 0 309.204 -0.400 20 0 DBADRM CN(C(=O)Nc1nn(C)cc1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001605973289 1018689230 /nfs/dbraw/zinc/68/92/30/1018689230.db2.gz AZNJPPONARODJA-SSDOTTSWSA-N -1 0 316.339 -0.231 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)c3ncc[nH]3)CC2)C1 ZINC001605973831 1018689265 /nfs/dbraw/zinc/68/92/65/1018689265.db2.gz GRFDKVGSSYUKSD-VIFPVBQESA-N -1 0 306.322 -0.053 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC001605999901 1018690042 /nfs/dbraw/zinc/69/00/42/1018690042.db2.gz GDDFSEPCGMVSGW-GXSJLCMTSA-N -1 0 323.349 -0.811 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCc3cc[nH]c(=O)c3C2)C1 ZINC001606000310 1018690307 /nfs/dbraw/zinc/69/03/07/1018690307.db2.gz XEUDNHLPXSWTON-JTQLQIEISA-N -1 0 319.317 -0.395 20 0 DBADRM CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001605993668 1018690348 /nfs/dbraw/zinc/69/03/48/1018690348.db2.gz HMSOEVVEVKEJSP-QMMMGPOBSA-N -1 0 322.408 -0.356 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)C1 ZINC001605999902 1018690507 /nfs/dbraw/zinc/69/05/07/1018690507.db2.gz GDDFSEPCGMVSGW-KOLCDFICSA-N -1 0 323.349 -0.811 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCc3cc[nH]c(=O)c3C2)C1 ZINC001606000311 1018690840 /nfs/dbraw/zinc/69/08/40/1018690840.db2.gz XEUDNHLPXSWTON-SNVBAGLBSA-N -1 0 319.317 -0.395 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@H](CCCO)C2)CC1 ZINC001605999863 1018691187 /nfs/dbraw/zinc/69/11/87/1018691187.db2.gz CPAMVTWPRXFJMX-NSHDSACASA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@@H](n3cccn3)C2)CC1 ZINC001606000024 1018691908 /nfs/dbraw/zinc/69/19/08/1018691908.db2.gz LUFLXCRLZYJPLO-GFCCVEGCSA-N -1 0 320.349 -0.020 20 0 DBADRM CN(C)[C@]1(C(=O)N[C@@H](CO)C(=O)[O-])COc2ccccc2C1 ZINC001606011463 1018694299 /nfs/dbraw/zinc/69/42/99/1018694299.db2.gz NCBOHZYAWPCDAX-NHYWBVRUSA-N -1 0 308.334 -0.516 20 0 DBADRM CN(C)C1(CS(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)CC1 ZINC001606012617 1018694416 /nfs/dbraw/zinc/69/44/16/1018694416.db2.gz IEKHQXWWPROMHT-UHFFFAOYSA-N -1 0 306.384 -0.774 20 0 DBADRM CN(C)C(=O)Cn1nnnc1N1CCC(CCC(=O)[O-])CC1 ZINC001606004986 1018694485 /nfs/dbraw/zinc/69/44/85/1018694485.db2.gz ZVVLEPHXLZJIDI-UHFFFAOYSA-N -1 0 310.358 -0.158 20 0 DBADRM O=C([O-])C1CCN(C(=O)c2nc3ncc(CCO)cn3n2)CC1 ZINC001606026227 1018701853 /nfs/dbraw/zinc/70/18/53/1018701853.db2.gz KSEYMHPQZXDFAR-UHFFFAOYSA-N -1 0 319.321 -0.404 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=S)NCCCC(=O)[O-])CC1 ZINC001606038254 1018702925 /nfs/dbraw/zinc/70/29/25/1018702925.db2.gz XOYURRCYXODISH-UHFFFAOYSA-N -1 0 323.440 -0.261 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1cccnc1 ZINC001606038249 1018703069 /nfs/dbraw/zinc/70/30/69/1018703069.db2.gz XKLGRZCAGSWMBO-JTQLQIEISA-N -1 0 301.324 -0.785 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001606037940 1018703293 /nfs/dbraw/zinc/70/32/93/1018703293.db2.gz RDTMQXCXTMZZLC-NXEZZACHSA-N -1 0 322.383 -0.879 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001606037118 1018703370 /nfs/dbraw/zinc/70/33/70/1018703370.db2.gz ATCDHQXCFHKJFJ-ONEGZZNKSA-N -1 0 316.335 -0.001 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001606037726 1018703463 /nfs/dbraw/zinc/70/34/63/1018703463.db2.gz OKHBKABCMHVPMT-SKDRFNHKSA-N -1 0 304.368 -0.266 20 0 DBADRM O=C([O-])C1CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC001606031707 1018704187 /nfs/dbraw/zinc/70/41/87/1018704187.db2.gz XXSZXZWXNOZDMU-UHFFFAOYSA-N -1 0 309.322 -0.216 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](CF)C(=O)[O-])cn1 ZINC001606041817 1018704871 /nfs/dbraw/zinc/70/48/71/1018704871.db2.gz VBTDTTZCHFIRLV-QMMMGPOBSA-N -1 0 319.314 -0.516 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC001606045791 1018705306 /nfs/dbraw/zinc/70/53/06/1018705306.db2.gz RMMFCEUNEADICH-LZVRBXCZSA-N -1 0 313.401 -0.352 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC001606045790 1018705969 /nfs/dbraw/zinc/70/59/69/1018705969.db2.gz RMMFCEUNEADICH-DYBLOJMWSA-N -1 0 313.401 -0.352 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN1CCSC[C@H](C(=O)[O-])C1 ZINC001606044780 1018706651 /nfs/dbraw/zinc/70/66/51/1018706651.db2.gz BBZFAVLJPCSXBH-GSDQLPOLSA-N -1 0 323.440 -0.163 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2CCc2cccnc2)CCO1 ZINC001606048757 1018706946 /nfs/dbraw/zinc/70/69/46/1018706946.db2.gz OKWNBAKTRJKGRF-NSHDSACASA-N -1 0 304.310 -0.399 20 0 DBADRM CN(C)c1cccc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])c1 ZINC001606061366 1018708710 /nfs/dbraw/zinc/70/87/10/1018708710.db2.gz IHXHEBKUXKAGLS-LBPRGKRZSA-N -1 0 302.352 -0.134 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCCn1cccn1 ZINC001606053691 1018708891 /nfs/dbraw/zinc/70/88/91/1018708891.db2.gz HVCWUZLDRZWZPO-JTQLQIEISA-N -1 0 315.351 -0.627 20 0 DBADRM O=C([O-])/C=C\c1cc(C(=O)N[C@H](CO)CN2CCOCC2)co1 ZINC001606062232 1018708901 /nfs/dbraw/zinc/70/89/01/1018708901.db2.gz BLJCODGKBSTOOL-BIOMNHJASA-N -1 0 324.333 -0.200 20 0 DBADRM O=C([O-])C=Cc1cc(C(=O)N2CC3(C2)NC(=O)NC3=O)co1 ZINC001606063633 1018709505 /nfs/dbraw/zinc/70/95/05/1018709505.db2.gz SHJBJMQKFHUNJJ-OWOJBTEDSA-N -1 0 305.246 -0.589 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CCO[C@H]1CCCCO1 ZINC001606056924 1018709588 /nfs/dbraw/zinc/70/95/88/1018709588.db2.gz GLSIXVQQIPKYIP-QWRGUYRKSA-N -1 0 307.368 -0.287 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc2nc[nH]c2n1 ZINC001606056905 1018709903 /nfs/dbraw/zinc/70/99/03/1018709903.db2.gz FFGQLFUJCDNREE-VIFPVBQESA-N -1 0 324.318 -0.718 20 0 DBADRM CN(C1CS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001606075663 1018710829 /nfs/dbraw/zinc/71/08/29/1018710829.db2.gz AOTABHCBZQLILR-UHFFFAOYSA-N -1 0 322.364 -0.859 20 0 DBADRM O=C([O-])CC1(C(=O)N2CCN(CCO)CC2)CCOCC1 ZINC001606070797 1018710863 /nfs/dbraw/zinc/71/08/63/1018710863.db2.gz UCKNRWNNTUAKMI-UHFFFAOYSA-N -1 0 300.355 -0.606 20 0 DBADRM CN([C@@H]1CC(C)(C)OC1=O)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606072707 1018710943 /nfs/dbraw/zinc/71/09/43/1018710943.db2.gz STUQNSLGZGRBOD-SSDOTTSWSA-N -1 0 317.323 -0.178 20 0 DBADRM CN(C)c1noc(CNC(=O)Nc2ccn(CC(=O)[O-])n2)n1 ZINC001606070224 1018711166 /nfs/dbraw/zinc/71/11/66/1018711166.db2.gz LKKWPXXYKWVFNK-UHFFFAOYSA-N -1 0 309.286 -0.262 20 0 DBADRM CN([C@@]1(CO)CCOC1)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001606072761 1018711976 /nfs/dbraw/zinc/71/19/76/1018711976.db2.gz VODXGCRCEYVMCQ-GFCCVEGCSA-N -1 0 307.368 -0.346 20 0 DBADRM CN(C1CCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1)S(C)(=O)=O ZINC001606075269 1018712335 /nfs/dbraw/zinc/71/23/35/1018712335.db2.gz GCPHYQYGDQKDSL-AOOOYVTPSA-N -1 0 318.395 -0.020 20 0 DBADRM O=C([O-])CC1(NC(=O)CCN2C(=O)CCNC2=S)CCC1 ZINC001606077848 1018712885 /nfs/dbraw/zinc/71/28/85/1018712885.db2.gz IRAXQCWOTZAUOS-UHFFFAOYSA-N -1 0 313.379 -0.003 20 0 DBADRM Cc1ncc(S(=O)(=O)NC[C@@H](O)C2CC2)cc1-c1nn[nH]n1 ZINC001606091956 1018714451 /nfs/dbraw/zinc/71/44/51/1018714451.db2.gz UUPQHVZBCSIRAC-LLVKDONJSA-N -1 0 324.366 -0.381 20 0 DBADRM CN(CC(=O)NC1CC1)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001606080806 1018714819 /nfs/dbraw/zinc/71/48/19/1018714819.db2.gz RLELORZDEUGWBY-UHFFFAOYSA-N -1 0 307.306 -0.717 20 0 DBADRM Cc1ncc(S(=O)(=O)NC[C@H](O)C2CC2)cc1-c1nn[nH]n1 ZINC001606091957 1018715178 /nfs/dbraw/zinc/71/51/78/1018715178.db2.gz UUPQHVZBCSIRAC-NSHDSACASA-N -1 0 324.366 -0.381 20 0 DBADRM CN(C[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)CCCF ZINC001606095169 1018716572 /nfs/dbraw/zinc/71/65/72/1018716572.db2.gz HQHGKISVVBYUSH-VIFPVBQESA-N -1 0 314.317 -0.422 20 0 DBADRM CN(C[C@@H](O)CNc1ncc(C(=O)[O-])cn1)C(=O)c1cocn1 ZINC001606095100 1018716827 /nfs/dbraw/zinc/71/68/27/1018716827.db2.gz GYXNNXNVIIWEBB-VIFPVBQESA-N -1 0 321.293 -0.292 20 0 DBADRM CN1C(=O)CC[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCC2)C1=O ZINC001606185421 1018717591 /nfs/dbraw/zinc/71/75/91/1018717591.db2.gz SUNTXULCPAHOMN-MRVPVSSYSA-N -1 0 318.351 -0.692 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001606186783 1018717986 /nfs/dbraw/zinc/71/79/86/1018717986.db2.gz OPORTQAPYPVMKW-UWVGGRQHSA-N -1 0 312.322 -0.384 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001606095802 1018718128 /nfs/dbraw/zinc/71/81/28/1018718128.db2.gz BTEHOCZTEJAEOR-SECBINFHSA-N -1 0 308.356 -0.621 20 0 DBADRM CN(C[C@H](O)C1(O)CCOCC1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001606094375 1018718944 /nfs/dbraw/zinc/71/89/44/1018718944.db2.gz VBFLLZNSGYXAQY-STQMWFEESA-N -1 0 317.382 -0.157 20 0 DBADRM CN(CC1CC1)C(=O)CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001606095971 1018719303 /nfs/dbraw/zinc/71/93/03/1018719303.db2.gz DWMFRNHHUBKARP-UHFFFAOYSA-N -1 0 318.395 -0.524 20 0 DBADRM CN(C[C@@H](O)CNc1ncc(C(=O)[O-])cn1)C(=O)c1ccon1 ZINC001606095123 1018719453 /nfs/dbraw/zinc/71/94/53/1018719453.db2.gz HGQLKDWACGYFIC-VIFPVBQESA-N -1 0 321.293 -0.292 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@@H](CO)c1cccnc1 ZINC001606105972 1018720604 /nfs/dbraw/zinc/72/06/04/1018720604.db2.gz WBCNYWLGELSHTG-NSHDSACASA-N -1 0 317.367 -0.602 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])[C@@H]1c1cccnc1 ZINC001606191106 1018721710 /nfs/dbraw/zinc/72/17/10/1018721710.db2.gz FVXARYQRABRSFA-GMXABZIVSA-N -1 0 321.333 -0.447 20 0 DBADRM CN1CC(=O)N(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)C1=O ZINC001606196147 1018722056 /nfs/dbraw/zinc/72/20/56/1018722056.db2.gz CGSKKDNXOSIOLB-GARJFASQSA-N -1 0 323.349 -0.018 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CC[C@@H](CO)[C@@H](O)C2)CO1 ZINC001606108306 1018722559 /nfs/dbraw/zinc/72/25/59/1018722559.db2.gz RTMYHNHTYZHDNJ-YFKTTZPYSA-N -1 0 301.339 -0.542 20 0 DBADRM Cc1ncsc1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001606104406 1018722975 /nfs/dbraw/zinc/72/29/75/1018722975.db2.gz SRXRWJSAAPWYPC-UHFFFAOYSA-N -1 0 305.327 -0.460 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@H](CO)c1cccnc1 ZINC001606105970 1018723101 /nfs/dbraw/zinc/72/31/01/1018723101.db2.gz WBCNYWLGELSHTG-LLVKDONJSA-N -1 0 317.367 -0.602 20 0 DBADRM CN1C(=O)CN(CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001606189446 1018723043 /nfs/dbraw/zinc/72/30/43/1018723043.db2.gz LKOLMXGIVBAHDH-QMMMGPOBSA-N -1 0 308.298 -0.925 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCCC[C@@H]1C1OCCO1 ZINC001606190367 1018723206 /nfs/dbraw/zinc/72/32/06/1018723206.db2.gz SCYIQFRQNMOORB-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@H](C(=O)[O-])c2ccccn2)C1=O ZINC001606189687 1018723424 /nfs/dbraw/zinc/72/34/24/1018723424.db2.gz QYTAUGLOOQOPOA-NSHDSACASA-N -1 0 306.278 -0.783 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]c1n[nH]c(C)c1-c1nn[nH]n1 ZINC001606115019 1018723871 /nfs/dbraw/zinc/72/38/71/1018723871.db2.gz HZISNBKMAQVTMF-UHFFFAOYSA-N -1 0 323.342 -0.259 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NCc2nnc3n2CCOC3)CO1 ZINC001606112682 1018724562 /nfs/dbraw/zinc/72/45/62/1018724562.db2.gz XTTVCISRXDVTEC-NXEZZACHSA-N -1 0 324.337 -0.306 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1cnn(C)n1 ZINC001606121366 1018724619 /nfs/dbraw/zinc/72/46/19/1018724619.db2.gz RTGPUCMOTJIXFZ-VHSXEESVSA-N -1 0 323.353 -0.544 20 0 DBADRM CN1CC(=O)N(CC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1=O ZINC001606197461 1018725525 /nfs/dbraw/zinc/72/55/25/1018725525.db2.gz ZGZQZODAJYZQOD-OTYXRUKQSA-N -1 0 309.322 -0.264 20 0 DBADRM CN(CCC(N)=O)S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001606111077 1018726050 /nfs/dbraw/zinc/72/60/50/1018726050.db2.gz JTQIXRRODJUYSR-UHFFFAOYSA-N -1 0 318.326 -0.051 20 0 DBADRM CN1C[C@@H](C(=O)NCCOc2ccc(C(=O)[O-])cc2)NC1=O ZINC001606197915 1018726775 /nfs/dbraw/zinc/72/67/75/1018726775.db2.gz OHTHGMKWFUNNMA-NSHDSACASA-N -1 0 307.306 -0.097 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)Cc2[nH]nc3ccccc32)CC1=O ZINC001606200246 1018726802 /nfs/dbraw/zinc/72/68/02/1018726802.db2.gz OEVIKYXRHHKHDI-LBPRGKRZSA-N -1 0 316.317 -0.141 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001606115458 1018726938 /nfs/dbraw/zinc/72/69/38/1018726938.db2.gz IFVLUOMTZSNEOV-QMMMGPOBSA-N -1 0 311.298 -0.677 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)C(=O)Nc2ccccc2)CC1=O ZINC001606198369 1018726965 /nfs/dbraw/zinc/72/69/65/1018726965.db2.gz UNNUWVWOPIGCNC-SNVBAGLBSA-N -1 0 305.290 -0.621 20 0 DBADRM CN1C[C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])NCC1=O ZINC001606198155 1018727032 /nfs/dbraw/zinc/72/70/32/1018727032.db2.gz RDVHYLMXGDQOOW-NEPJUHHUSA-N -1 0 323.324 -0.632 20 0 DBADRM Cn1ncc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c1Cl ZINC001606199701 1018727217 /nfs/dbraw/zinc/72/72/17/1018727217.db2.gz IDRYGPCRUAJUFF-ZETCQYMHSA-N -1 0 300.702 -0.559 20 0 DBADRM Cn1cnc2cc(C(=O)N3CC(=O)N(C)C[C@H]3C(=O)[O-])ccc21 ZINC001606198925 1018727607 /nfs/dbraw/zinc/72/76/07/1018727607.db2.gz BNNOQJXLSRLTSR-LBPRGKRZSA-N -1 0 316.317 -0.059 20 0 DBADRM CN1CC2(CN(S(=O)(=O)C3(C(=O)[O-])CCC3)C2)OC1=O ZINC001606207850 1018734246 /nfs/dbraw/zinc/73/42/46/1018734246.db2.gz HTMONXXBLZQTKD-UHFFFAOYSA-N -1 0 304.324 -0.540 20 0 DBADRM Cn1c(=O)[nH]c(N2CCC[C@H](CCF)C2)c(-c2nnn[n-]2)c1=O ZINC001606202936 1018729592 /nfs/dbraw/zinc/72/95/92/1018729592.db2.gz TVUFCNVEYAUFBN-MRVPVSSYSA-N -1 0 323.332 -0.170 20 0 DBADRM CN1C[C@H](OC(=O)Cn2cccc(C(=O)[O-])c2=O)CCC1=O ZINC001606204611 1018729711 /nfs/dbraw/zinc/72/97/11/1018729711.db2.gz HFBPBXRERBRURB-SECBINFHSA-N -1 0 308.290 -0.290 20 0 DBADRM Cn1c(=O)[nH]c(N(CC2CC2)CC2CC2)c(-c2nnn[n-]2)c1=O ZINC001606201545 1018730781 /nfs/dbraw/zinc/73/07/81/1018730781.db2.gz CLIVPYLLIQRHSU-UHFFFAOYSA-N -1 0 317.353 -0.120 20 0 DBADRM CN1C[C@H](NC(=O)Cn2cccc(C(=O)[O-])c2=O)CCC1=O ZINC001606202988 1018731233 /nfs/dbraw/zinc/73/12/33/1018731233.db2.gz NSEXWDIVORFWFU-SECBINFHSA-N -1 0 307.306 -0.717 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C[C@@H](O)CC2(O)CCCC2)CC1=O ZINC001606201656 1018731660 /nfs/dbraw/zinc/73/16/60/1018731660.db2.gz DCITWAJPEXHBCS-QWRGUYRKSA-N -1 0 300.355 -0.730 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C[C@H]2CCC3(CCOCC3)O2)CC1=O ZINC001606204480 1018731782 /nfs/dbraw/zinc/73/17/82/1018731782.db2.gz UAYPWGOSLBLRDJ-VXGBXAGGSA-N -1 0 312.366 -0.058 20 0 DBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N2CC=C[C@H]2CO)CC1 ZINC001606125938 1018732133 /nfs/dbraw/zinc/73/21/33/1018732133.db2.gz DCKDZEHAOHEOQW-LBPRGKRZSA-N -1 0 310.350 -0.151 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)c1cc(C(=O)[O-])no1 ZINC001606127825 1018732779 /nfs/dbraw/zinc/73/27/79/1018732779.db2.gz ZMIVGFIRCZTBHP-UHFFFAOYSA-N -1 0 317.323 -0.520 20 0 DBADRM CN1CC2(CN(C(=O)Nc3cc(C(=O)[O-])n(C)n3)C2)OC1=O ZINC001606208190 1018733011 /nfs/dbraw/zinc/73/30/11/1018733011.db2.gz JLVPIGOIULOFGB-UHFFFAOYSA-N -1 0 309.282 -0.213 20 0 DBADRM CN(CCOCCO)C(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001606135166 1018735588 /nfs/dbraw/zinc/73/55/88/1018735588.db2.gz RZTLMUSGNVXNFH-UHFFFAOYSA-N -1 0 316.335 -0.148 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001606138759 1018735855 /nfs/dbraw/zinc/73/58/55/1018735855.db2.gz BPXRLJORGPCBKL-UHFFFAOYSA-N -1 0 304.328 -0.373 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])CC1=O ZINC001606209538 1018736849 /nfs/dbraw/zinc/73/68/49/1018736849.db2.gz WMWDAAYZXMGYFJ-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1ccn(C)n1 ZINC001606132867 1018738697 /nfs/dbraw/zinc/73/86/97/1018738697.db2.gz HZKFQVRJQFUSSP-UHFFFAOYSA-N -1 0 304.310 -0.486 20 0 DBADRM Cn1c(=O)[nH]c(NCCC2CC(O)C2)c(-c2nnn[n-]2)c1=O ZINC001606205884 1018738849 /nfs/dbraw/zinc/73/88/49/1018738849.db2.gz LLKBADRJRCYJQY-UHFFFAOYSA-N -1 0 307.314 -0.761 20 0 DBADRM CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001606142869 1018739693 /nfs/dbraw/zinc/73/96/93/1018739693.db2.gz LDUBLYWRFKPKHJ-LBPRGKRZSA-N -1 0 324.333 -0.546 20 0 DBADRM CN(Cc1ccccc1)C(=O)CN1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001606166714 1018739729 /nfs/dbraw/zinc/73/97/29/1018739729.db2.gz FBGCHNBUBCZTMY-CYBMUJFWSA-N -1 0 319.361 -0.128 20 0 DBADRM CN1CC[C@@](Cc2ccccc2)(C(=O)N[C@@H](CO)C(=O)[O-])C1=O ZINC001606212216 1018739915 /nfs/dbraw/zinc/73/99/15/1018739915.db2.gz FPIUNEBCQDODFH-BLLLJJGKSA-N -1 0 320.345 -0.361 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)C1=O ZINC001606212700 1018740014 /nfs/dbraw/zinc/74/00/14/1018740014.db2.gz QFILOBSYMJTCCI-SSOKKCIESA-N -1 0 310.350 -0.007 20 0 DBADRM Cc1nsc(C)c1Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC001606139282 1018740124 /nfs/dbraw/zinc/74/01/24/1018740124.db2.gz JECLNYNVKYYWRO-UHFFFAOYSA-N -1 0 319.350 -0.151 20 0 DBADRM CN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001606143432 1018742660 /nfs/dbraw/zinc/74/26/60/1018742660.db2.gz XLGIZOMSVSNBFT-QMMMGPOBSA-N -1 0 310.310 -0.306 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CC[C@@H]2COC(C)(C)O2)c1=O ZINC001606221763 1018744442 /nfs/dbraw/zinc/74/44/42/1018744442.db2.gz OJTYFCTYJBPVKD-MRVPVSSYSA-N -1 0 322.325 -0.731 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2COCC2(C)C)n(C)c1=O ZINC001606218361 1018744599 /nfs/dbraw/zinc/74/45/99/1018744599.db2.gz JDHVKVNJHCGXEK-SSDOTTSWSA-N -1 0 321.341 -0.899 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCC2=CCCC2)n(C)c1=O ZINC001606218127 1018744984 /nfs/dbraw/zinc/74/49/84/1018744984.db2.gz AJKYHDNNVNLWAR-UHFFFAOYSA-N -1 0 303.326 -0.214 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@H]2CCCOC2)n(C)c1=O ZINC001606218670 1018745426 /nfs/dbraw/zinc/74/54/26/1018745426.db2.gz UBZSDDASFAYTSM-QMMMGPOBSA-N -1 0 321.341 -0.897 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCc2cccnc2)n(C)c1=O ZINC001606218927 1018746146 /nfs/dbraw/zinc/74/61/46/1018746146.db2.gz ZPZLYTTUNTWTMZ-UHFFFAOYSA-N -1 0 314.309 -0.729 20 0 DBADRM CN(Cc1cn(C)nn1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001606172341 1018746229 /nfs/dbraw/zinc/74/62/29/1018746229.db2.gz BVDDOPWZMGXIID-UHFFFAOYSA-N -1 0 302.356 -0.168 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC001606221596 1018747518 /nfs/dbraw/zinc/74/75/18/1018747518.db2.gz LBCGFMNBXGGKPY-UHFFFAOYSA-N -1 0 302.269 -0.086 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)c2cncc(C(=O)[O-])c2)CC1=O ZINC001606218759 1018749064 /nfs/dbraw/zinc/74/90/64/1018749064.db2.gz AYAKTDYLUGVXHV-VIFPVBQESA-N -1 0 313.335 -0.321 20 0 DBADRM CN1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001606218434 1018749356 /nfs/dbraw/zinc/74/93/56/1018749356.db2.gz FLLMOLZLKSNRNW-NWDGAFQWSA-N -1 0 311.382 -0.090 20 0 DBADRM CN1CCC[C@H](NS(=O)(=O)c2occc2C(=O)[O-])C1=O ZINC001606226714 1018750218 /nfs/dbraw/zinc/75/02/18/1018750218.db2.gz KFBDSPGEZNWTPC-QMMMGPOBSA-N -1 0 302.308 -0.123 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@H](C(=O)[O-])C1 ZINC001606228427 1018752336 /nfs/dbraw/zinc/75/23/36/1018752336.db2.gz IIOKCBNZSAGVGU-MNOVXSKESA-N -1 0 318.395 -0.572 20 0 DBADRM CN1CCC[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])C1=O ZINC001606223811 1018753183 /nfs/dbraw/zinc/75/31/83/1018753183.db2.gz UWHDUHYRBMADNR-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1CCCC[C@H](C(=O)NCCC(=O)NCCC(=O)[O-])C1=O ZINC001606226676 1018754269 /nfs/dbraw/zinc/75/42/69/1018754269.db2.gz VKWVIJGLWKUWII-SNVBAGLBSA-N -1 0 313.354 -0.658 20 0 DBADRM CN1CCN(C(=O)CCNC(=S)NCCCC(=O)[O-])CC1 ZINC001606233476 1018763739 /nfs/dbraw/zinc/76/37/39/1018763739.db2.gz RPYXWWBIRGRIFW-UHFFFAOYSA-N -1 0 316.427 -0.521 20 0 DBADRM Cn1cc(Cl)cc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001606242408 1018773919 /nfs/dbraw/zinc/77/39/19/1018773919.db2.gz WZFPRQUSDYXJOK-UHFFFAOYSA-N -1 0 321.732 -0.120 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC[C@H](c3ncon3)C2)C1=O ZINC001606247356 1018775694 /nfs/dbraw/zinc/77/56/94/1018775694.db2.gz FXOJTJOKJGJOAX-VHSXEESVSA-N -1 0 322.321 -0.291 20 0 DBADRM CN1CCO[C@@H](C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)C1=O ZINC001606246870 1018775894 /nfs/dbraw/zinc/77/58/94/1018775894.db2.gz AHDLVAJJSUKLDQ-VXGBXAGGSA-N -1 0 320.301 -0.278 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1=O ZINC001606247762 1018776470 /nfs/dbraw/zinc/77/64/70/1018776470.db2.gz JEZFIYZCZZLUHM-WDEREUQCSA-N -1 0 324.333 -0.384 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C1 ZINC001606248595 1018776958 /nfs/dbraw/zinc/77/69/58/1018776958.db2.gz CJKHJTDGOPKQRM-SDDRHHMPSA-N -1 0 320.411 -0.120 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC(N3CCCC3=O)C2)C1=O ZINC001606248097 1018777358 /nfs/dbraw/zinc/77/73/58/1018777358.db2.gz OMLZKAXDQMLPAX-NSHDSACASA-N -1 0 323.349 -0.857 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)[C@H]2CCc3ncncc3C2)C1=O ZINC001606247106 1018777587 /nfs/dbraw/zinc/77/75/87/1018777587.db2.gz FFIPASBTLRYBBU-JOYOIKCWSA-N -1 0 319.317 -0.190 20 0 DBADRM CN1CN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])CC1=O ZINC001606252717 1018778710 /nfs/dbraw/zinc/77/87/10/1018778710.db2.gz XSEQWDAJPMPZQD-UHFFFAOYSA-N -1 0 309.253 -0.280 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCc3n[nH]nc3C2)C1=O ZINC001606250311 1018779608 /nfs/dbraw/zinc/77/96/08/1018779608.db2.gz KOALYPFRIKVKIW-QMMMGPOBSA-N -1 0 307.310 -0.987 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1=O ZINC001606253658 1018781649 /nfs/dbraw/zinc/78/16/49/1018781649.db2.gz VKRCYVYSIABXFX-JYMMUIJESA-N -1 0 308.334 -0.398 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1=O ZINC001606255095 1018782092 /nfs/dbraw/zinc/78/20/92/1018782092.db2.gz DQUXCRILWJWLCH-BZRINJCVSA-N -1 0 322.361 -0.008 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC001606258623 1018782600 /nfs/dbraw/zinc/78/26/00/1018782600.db2.gz GFNKRFSSKMYQOE-NTSWFWBYSA-N -1 0 321.259 -0.267 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](N2C(=O)[C@H]3CCCN3C2=O)C1=O ZINC001606257868 1018783077 /nfs/dbraw/zinc/78/30/77/1018783077.db2.gz QNOJUSTWHOPYGI-NXEZZACHSA-N -1 0 309.322 -0.121 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)c2ccc[n+]([O-])c2)C1=O ZINC001606255191 1018783093 /nfs/dbraw/zinc/78/30/93/1018783093.db2.gz HCPKNJGRDUAIGQ-LLVKDONJSA-N -1 0 307.306 -0.485 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCc2nnc(C3CC3)[nH]2)C1=O ZINC001606253213 1018783429 /nfs/dbraw/zinc/78/34/29/1018783429.db2.gz MEUNSJLVXQUFLF-VIFPVBQESA-N -1 0 321.337 -0.379 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N[C@H]2CCC[C@@H]2O)C1=O ZINC001606255858 1018783760 /nfs/dbraw/zinc/78/37/60/1018783760.db2.gz SPRUOIJQHDERRR-DCAQKATOSA-N -1 0 313.354 -0.335 20 0 DBADRM O=C([O-])CNC(=O)CN1CCCC[C@@H]1COC(=O)NC1CC1 ZINC001606264470 1018786026 /nfs/dbraw/zinc/78/60/26/1018786026.db2.gz NFUPOENQFKLVJI-LLVKDONJSA-N -1 0 313.354 -0.070 20 0 DBADRM CNC(=O)[C@H]1CCCCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001606262445 1018786177 /nfs/dbraw/zinc/78/61/77/1018786177.db2.gz ZBMMLGNXWGEWKV-SECBINFHSA-N -1 0 304.368 -0.076 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001606261571 1018788092 /nfs/dbraw/zinc/78/80/92/1018788092.db2.gz CEPDYYJOEAJVKX-RKDXNWHRSA-N -1 0 315.351 -0.094 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001606260363 1018788289 /nfs/dbraw/zinc/78/82/89/1018788289.db2.gz WPFACJWCHLFSMT-MRVPVSSYSA-N -1 0 300.336 -0.274 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001606264142 1018788388 /nfs/dbraw/zinc/78/83/88/1018788388.db2.gz VOMVCBUCLLWTJB-ZDCRXTMVSA-N -1 0 313.354 -0.622 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)Nc2cccc(CC(=O)[O-])n2)CCO1 ZINC001606265761 1018789806 /nfs/dbraw/zinc/78/98/06/1018789806.db2.gz AJNQNIJVMDKMRM-JTQLQIEISA-N -1 0 322.321 -0.313 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001606267206 1018792543 /nfs/dbraw/zinc/79/25/43/1018792543.db2.gz RPEGOMGVZKFXGJ-UHFFFAOYSA-N -1 0 321.333 -0.153 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])nn2C)CCO1 ZINC001606265833 1018792731 /nfs/dbraw/zinc/79/27/31/1018792731.db2.gz CRSHNBHEXHGLBZ-QMMMGPOBSA-N -1 0 311.298 -0.903 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@]2(C)C=CCC2)c1[O-] ZINC001501488746 1018794480 /nfs/dbraw/zinc/79/44/80/1018794480.db2.gz BAOOQMCIRALDOM-MEBBXXQBSA-N -1 0 322.365 -0.013 20 0 DBADRM O=C([O-])COCC(=O)N[C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC001606273328 1018795093 /nfs/dbraw/zinc/79/50/93/1018795093.db2.gz BDMGIZCMMASNAF-ZWNOBZJWSA-N -1 0 301.339 -0.086 20 0 DBADRM CNC(=O)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])CC2 ZINC001606271555 1018797676 /nfs/dbraw/zinc/79/76/76/1018797676.db2.gz VORNLXFQSSARDD-GHMZBOCLSA-N -1 0 309.366 -0.623 20 0 DBADRM O=C([O-])COCCOCCNC(=O)C(F)(F)C1(O)CCC1 ZINC001606279160 1018799018 /nfs/dbraw/zinc/79/90/18/1018799018.db2.gz WUILGUILLLMTSB-UHFFFAOYSA-N -1 0 311.281 -0.229 20 0 DBADRM CNC(=O)Cc1nc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)cs1 ZINC001606277998 1018799152 /nfs/dbraw/zinc/79/91/52/1018799152.db2.gz XMPFHCCINCKQCS-SCZZXKLOSA-N -1 0 313.379 -0.301 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)c2ccc(C(=O)[O-])n2C)n1 ZINC001606277824 1018800029 /nfs/dbraw/zinc/80/00/29/1018800029.db2.gz TXQAJTHUSBMZNW-UHFFFAOYSA-N -1 0 306.282 -0.687 20 0 DBADRM CNC(=O)N[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001606278297 1018800044 /nfs/dbraw/zinc/80/00/44/1018800044.db2.gz QNDYWBXHTOGVNP-SNVBAGLBSA-N -1 0 309.326 -0.499 20 0 DBADRM CNC(=O)NC(=O)Cn1cnc2cc(C(=O)[O-])ccc2c1=O ZINC001606278301 1018800649 /nfs/dbraw/zinc/80/06/49/1018800649.db2.gz QUZGWTQEAALQRO-UHFFFAOYSA-N -1 0 304.262 -0.450 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]c1ncccc1-c1nn[nH]n1 ZINC001606282759 1018801366 /nfs/dbraw/zinc/80/13/66/1018801366.db2.gz WCZIMKDMMPVKSJ-UHFFFAOYSA-N -1 0 306.311 -0.204 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CC2)CCO1 ZINC001606280258 1018801698 /nfs/dbraw/zinc/80/16/98/1018801698.db2.gz FGTYZIDLKPBPQX-SECBINFHSA-N -1 0 314.342 -0.809 20 0 DBADRM Cn1nccc1[C@H]1CN(c2ccnc(-c3nnn[n-]3)n2)CCO1 ZINC001606282215 1018802070 /nfs/dbraw/zinc/80/20/70/1018802070.db2.gz UNLAWNLVVSMAJX-SNVBAGLBSA-N -1 0 313.325 -0.032 20 0 DBADRM CNC(=O)NCCC(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001606280927 1018802238 /nfs/dbraw/zinc/80/22/38/1018802238.db2.gz MNKLXTWNXZQCGO-UHFFFAOYSA-N -1 0 310.314 -0.978 20 0 DBADRM CNC(=O)NCC(=O)NCCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001606280249 1018802280 /nfs/dbraw/zinc/80/22/80/1018802280.db2.gz FCKLOILRYYROAA-UHFFFAOYSA-N -1 0 324.341 -0.954 20 0 DBADRM CNC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NCC(=O)[O-] ZINC001606279762 1018802547 /nfs/dbraw/zinc/80/25/47/1018802547.db2.gz RDMZMBDTJDQAEW-LBPRGKRZSA-N -1 0 305.334 -0.640 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N[C@H]1Cc2cncn2C1 ZINC001606284786 1018803038 /nfs/dbraw/zinc/80/30/38/1018803038.db2.gz LVYUOJIRKNYHTQ-JTQLQIEISA-N -1 0 312.326 -0.775 20 0 DBADRM O=C([O-])COCCOCCNC(=O)Nc1cnc2nccn2c1 ZINC001606284819 1018803390 /nfs/dbraw/zinc/80/33/90/1018803390.db2.gz MYACJGBWIDYHBE-UHFFFAOYSA-N -1 0 323.309 -0.031 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC001606286406 1018803718 /nfs/dbraw/zinc/80/37/18/1018803718.db2.gz WJAZCLYACOXDAW-YPMHNXCESA-N -1 0 309.318 -0.035 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001606284857 1018804314 /nfs/dbraw/zinc/80/43/14/1018804314.db2.gz OYOWBFKUMZCGFI-SWHJWPDWSA-N -1 0 320.367 -0.981 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1nccnc1Cl ZINC001606286344 1018804335 /nfs/dbraw/zinc/80/43/35/1018804335.db2.gz SGXUKMZJWCKRMV-UHFFFAOYSA-N -1 0 303.702 -0.022 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCC[C@@H](CO)CC1 ZINC001606284448 1018804363 /nfs/dbraw/zinc/80/43/63/1018804363.db2.gz CVCVDSHZWKRCOR-GFCCVEGCSA-N -1 0 318.370 -0.092 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)NCCOCC(=O)[O-])cc1 ZINC001606290236 1018805247 /nfs/dbraw/zinc/80/52/47/1018805247.db2.gz QUSQZKOJESZGBG-UHFFFAOYSA-N -1 0 323.305 -0.798 20 0 DBADRM CNC(=O)c1cccc(CCNC(=O)NCCOCC(=O)[O-])c1 ZINC001606290701 1018805272 /nfs/dbraw/zinc/80/52/72/1018805272.db2.gz DZTSBLXXZLLDLG-UHFFFAOYSA-N -1 0 323.349 -0.011 20 0 DBADRM CNC(=O)c1ccsc1NC(=O)NCC(=O)NCC(=O)[O-] ZINC001606292164 1018805337 /nfs/dbraw/zinc/80/53/37/1018805337.db2.gz FUTGNQMXUAHRNM-UHFFFAOYSA-N -1 0 314.323 -0.570 20 0 DBADRM O=C([O-])CS(=O)(=O)CCS[C@H]1CCCS(=O)(=O)C1 ZINC001606296267 1018805767 /nfs/dbraw/zinc/80/57/67/1018805767.db2.gz AVRJQAUWYVUZHT-QMMMGPOBSA-N -1 0 316.422 -0.204 20 0 DBADRM CNC(=O)c1cccc(CCC(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001606290602 1018805854 /nfs/dbraw/zinc/80/58/54/1018805854.db2.gz AVFLEOHTHSUNJT-UHFFFAOYSA-N -1 0 321.333 -0.704 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1c1ncncc1C(=O)[O-] ZINC001606302602 1018806562 /nfs/dbraw/zinc/80/65/62/1018806562.db2.gz JSXKZNQGNCDIDH-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(c2ccc(C(=O)[O-])nn2)C1 ZINC001606302245 1018806572 /nfs/dbraw/zinc/80/65/72/1018806572.db2.gz FDDUXTVJHOGTKP-SECBINFHSA-N -1 0 314.367 -0.060 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001606302434 1018806582 /nfs/dbraw/zinc/80/65/82/1018806582.db2.gz HTNYLBWEBRXKCX-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=S)NCCCC(=O)[O-])C1 ZINC001606299303 1018807003 /nfs/dbraw/zinc/80/70/03/1018807003.db2.gz XNOTYQWUKSTQGH-MRVPVSSYSA-N -1 0 309.413 -0.651 20 0 DBADRM O=C([O-])CSCC(=O)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001606300327 1018807330 /nfs/dbraw/zinc/80/73/30/1018807330.db2.gz BFNPJYWWVJFNAN-VIFPVBQESA-N -1 0 316.379 -0.706 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001606303428 1018807726 /nfs/dbraw/zinc/80/77/26/1018807726.db2.gz BVFZUOQRSBWCBV-UHFFFAOYSA-N -1 0 301.324 -0.314 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1cccc(C(=O)[O-])c1O ZINC001606303445 1018808045 /nfs/dbraw/zinc/80/80/45/1018808045.db2.gz CPGVQXJTEXYUPF-UHFFFAOYSA-N -1 0 303.296 -0.917 20 0 DBADRM CNc1cnc(C(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)[O-])cn1 ZINC001606312793 1018808092 /nfs/dbraw/zinc/80/80/92/1018808092.db2.gz CBHYCGOKTDHDEU-PSASIEDQSA-N -1 0 322.321 -0.003 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001606303158 1018808615 /nfs/dbraw/zinc/80/86/15/1018808615.db2.gz SXBNFHQTEHXCEC-UHFFFAOYSA-N -1 0 319.343 -0.821 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(c2nccnc2C(=O)[O-])C1 ZINC001606303270 1018808703 /nfs/dbraw/zinc/80/87/03/1018808703.db2.gz YHVZAOWWXWNTMD-SECBINFHSA-N -1 0 314.367 -0.060 20 0 DBADRM CNS(=O)(=O)c1ccc(CCNC(=O)CC(=O)[O-])cc1 ZINC001606305390 1018808731 /nfs/dbraw/zinc/80/87/31/1018808731.db2.gz HSRMNHVLQCSYNR-UHFFFAOYSA-N -1 0 300.336 -0.272 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001606315508 1018809094 /nfs/dbraw/zinc/80/90/94/1018809094.db2.gz GESKEZYEBSLUPA-BDAKNGLRSA-N -1 0 323.367 -0.575 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)/C=C\CN1CCOCC1 ZINC001606324096 1018809133 /nfs/dbraw/zinc/80/91/33/1018809133.db2.gz UGQFOLMJINEPCK-ZMWSMAPVSA-N -1 0 300.311 -0.993 20 0 DBADRM CNc1ncnc2cc(C(=O)N3CC(O)(C(=O)[O-])C3)ccc21 ZINC001606315884 1018809333 /nfs/dbraw/zinc/80/93/33/1018809333.db2.gz YHWLQYNLPVOEIJ-UHFFFAOYSA-N -1 0 302.290 -0.057 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC001606324144 1018809353 /nfs/dbraw/zinc/80/93/53/1018809353.db2.gz URAJXOQHCYOGOC-PSASIEDQSA-N -1 0 314.338 -0.186 20 0 DBADRM CNc1nnc(CC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)s1 ZINC001606315103 1018809372 /nfs/dbraw/zinc/80/93/72/1018809372.db2.gz IHUHSZNUMUFLNE-RNFRBKRXSA-N -1 0 300.340 -0.584 20 0 DBADRM COC(=O)/C(C)=C/CNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001606320706 1018809688 /nfs/dbraw/zinc/80/96/88/1018809688.db2.gz PRAKFOKYUZXEBS-LLMHMKPQSA-N -1 0 313.354 -0.237 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001606315947 1018809786 /nfs/dbraw/zinc/80/97/86/1018809786.db2.gz OPMVECMLOMJXQB-LBPRGKRZSA-N -1 0 323.367 -0.309 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001606315787 1018809883 /nfs/dbraw/zinc/80/98/83/1018809883.db2.gz LEPAOMODYBWTOZ-DTWKUNHWSA-N -1 0 323.367 -0.717 20 0 DBADRM CNc1nnc(CC(=O)N[C@@H](CC(=O)[O-])C(=O)OC)s1 ZINC001606315920 1018809984 /nfs/dbraw/zinc/80/99/84/1018809984.db2.gz ZBWSLEDEMIWZKX-YFKPBYRVSA-N -1 0 302.312 -0.745 20 0 DBADRM COC(=O)/C(C)=C/CNC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1 ZINC001606320705 1018810001 /nfs/dbraw/zinc/81/00/01/1018810001.db2.gz PRAKFOKYUZXEBS-INJWIWPUSA-N -1 0 313.354 -0.237 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001606321269 1018810294 /nfs/dbraw/zinc/81/02/94/1018810294.db2.gz FIEZVMNTVNWLGI-XCBNKYQSSA-N -1 0 311.381 -0.325 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCCC[C@H]1C ZINC001606326610 1018810889 /nfs/dbraw/zinc/81/08/89/1018810889.db2.gz ZNQDFFFQSWRRTQ-RKDXNWHRSA-N -1 0 308.356 -0.289 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1nc2ncc(C)cn2n1 ZINC001606325621 1018811033 /nfs/dbraw/zinc/81/10/33/1018811033.db2.gz NHNNDSWPNFDMTG-ZETCQYMHSA-N -1 0 307.266 -0.821 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@@H](O)Cc2cccc(F)c2)nn1 ZINC001606326740 1018811299 /nfs/dbraw/zinc/81/12/99/1018811299.db2.gz UNALJYHPACMHIJ-NSHDSACASA-N -1 0 322.296 -0.165 20 0 DBADRM COC(=O)[C@H](CC(F)F)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001606325145 1018811892 /nfs/dbraw/zinc/81/18/92/1018811892.db2.gz IRIRWMBORFZTNP-LURJTMIESA-N -1 0 318.298 -0.576 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)C2CCS(=O)(=O)CC2)cn1 ZINC001606339683 1018812272 /nfs/dbraw/zinc/81/22/72/1018812272.db2.gz VJWPORITLRRNCQ-UHFFFAOYSA-N -1 0 301.324 -0.269 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)c1cc(C(=O)[O-])ccn1 ZINC001606332702 1018812562 /nfs/dbraw/zinc/81/25/62/1018812562.db2.gz RCDMRZDLQKEMTB-JTQLQIEISA-N -1 0 324.289 -0.186 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC001606341376 1018813238 /nfs/dbraw/zinc/81/32/38/1018813238.db2.gz SWVBPBPICWXPBW-DTORHVGOSA-N -1 0 308.294 -0.704 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@@H]2COc3ccccc3O2)nn1 ZINC001606331862 1018813270 /nfs/dbraw/zinc/81/32/70/1018813270.db2.gz ZUDYBMQYZLEVNC-SECBINFHSA-N -1 0 318.289 -0.068 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCc2cccnc2)n1 ZINC001606341002 1018813277 /nfs/dbraw/zinc/81/32/77/1018813277.db2.gz LRGMPPNCXAWIBQ-UHFFFAOYSA-N -1 0 303.278 -0.382 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC001606332426 1018813293 /nfs/dbraw/zinc/81/32/93/1018813293.db2.gz KHIJQFGKYANZRO-UTLUCORTSA-N -1 0 303.311 -0.345 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCc2cc(=O)[nH]c(C3CC3)n2)nn1 ZINC001606331243 1018813312 /nfs/dbraw/zinc/81/33/12/1018813312.db2.gz RJPQPSPPDSTVLQ-UHFFFAOYSA-N -1 0 318.293 -0.334 20 0 DBADRM COC(=O)[C@]1(C)CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001606347709 1018813736 /nfs/dbraw/zinc/81/37/36/1018813736.db2.gz LFDOIUNWOABVJR-LLVKDONJSA-N -1 0 317.323 -0.318 20 0 DBADRM COC(=O)C1(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CC1 ZINC001606349696 1018813870 /nfs/dbraw/zinc/81/38/70/1018813870.db2.gz OHGYFYYTEBLUMH-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001606351632 1018814414 /nfs/dbraw/zinc/81/44/14/1018814414.db2.gz GQILWATXQWFHQD-SNVBAGLBSA-N -1 0 321.286 -0.616 20 0 DBADRM COC(=O)C1(NC(=O)C[C@@H]2CC(=O)N2)CCC(C(=O)[O-])CC1 ZINC001606352482 1018814908 /nfs/dbraw/zinc/81/49/08/1018814908.db2.gz BPPZFJYPHOMRDX-PUUHTONNSA-N -1 0 312.322 -0.432 20 0 DBADRM COC(=O)C1(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CC1 ZINC001606346884 1018815011 /nfs/dbraw/zinc/81/50/11/1018815011.db2.gz OKYGDLKIQJHHIV-MRVPVSSYSA-N -1 0 301.295 -0.338 20 0 DBADRM COC(=O)C1(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC001606349150 1018815090 /nfs/dbraw/zinc/81/50/90/1018815090.db2.gz HUASJBPBZITZAJ-UHFFFAOYSA-N -1 0 302.308 -0.056 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)Nc2ccc(C(=O)[O-])cn2)C1 ZINC001606357795 1018815468 /nfs/dbraw/zinc/81/54/68/1018815468.db2.gz SRDCVBDAJUNPTA-ZDUSSCGKSA-N -1 0 309.278 -0.079 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CCC1 ZINC001606357039 1018816269 /nfs/dbraw/zinc/81/62/69/1018816269.db2.gz MYGCBVIIOKPFHM-BRPSZJMVSA-N -1 0 303.336 -0.326 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)[C@@H]2CCCCS2(=O)=O)n1 ZINC001606354361 1018816298 /nfs/dbraw/zinc/81/62/98/1018816298.db2.gz XATHHJPFQYQOOP-ZETCQYMHSA-N -1 0 302.312 -0.732 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)OCCN2CCOCC2)c1=O ZINC001606354072 1018816538 /nfs/dbraw/zinc/81/65/38/1018816538.db2.gz RIDDJBVUDPZDMO-UHFFFAOYSA-N -1 0 310.306 -0.578 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCC[N@@H+]2CCCOCC2)c1=O ZINC001606355318 1018816692 /nfs/dbraw/zinc/81/66/92/1018816692.db2.gz OTSJTMOXTAWIQR-UHFFFAOYSA-N -1 0 323.349 -0.615 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)c2cncc(-n3ccnn3)c2)n1 ZINC001606360357 1018817135 /nfs/dbraw/zinc/81/71/35/1018817135.db2.gz JGQYEHLRPCVXJB-UHFFFAOYSA-N -1 0 314.265 -0.409 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@H](O)c1cccnc1 ZINC001606373369 1018817516 /nfs/dbraw/zinc/81/75/16/1018817516.db2.gz VWBXJGANUKYEAT-ZMLRMANQSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCCn1cncn1 ZINC001606371550 1018817523 /nfs/dbraw/zinc/81/75/23/1018817523.db2.gz TYAYARAAXDPNAP-MNOVXSKESA-N -1 0 324.337 -0.077 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CCN1CCOCC1 ZINC001606374552 1018818044 /nfs/dbraw/zinc/81/80/44/1018818044.db2.gz GOHJZHOISLNARK-NEPJUHHUSA-N -1 0 300.355 -0.343 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CCCS(N)(=O)=O ZINC001606375053 1018818165 /nfs/dbraw/zinc/81/81/65/1018818165.db2.gz RFOJALVWGDNAFD-IUCAKERBSA-N -1 0 308.356 -0.997 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(OC)ncn1 ZINC001606383638 1018819109 /nfs/dbraw/zinc/81/91/09/1018819109.db2.gz IBWSMLUUJBDNKW-SCZZXKLOSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C[C@@H](O)C1(O)CCCC1 ZINC001606376127 1018819246 /nfs/dbraw/zinc/81/92/46/1018819246.db2.gz VRFBUBBAJYOMBI-SDDRHHMPSA-N -1 0 315.366 -0.009 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CN(C)C(C)=O ZINC001606383851 1018819447 /nfs/dbraw/zinc/81/94/47/1018819447.db2.gz KYDLLHACOFOOLQ-VHSXEESVSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC(=O)Cn2cc(C(=O)[O-])cn2)CN1C ZINC001606378741 1018819564 /nfs/dbraw/zinc/81/95/64/1018819564.db2.gz VMDUYEGCAPMEDU-UWVGGRQHSA-N -1 0 311.294 -0.630 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(CO)on1 ZINC001606383701 1018819772 /nfs/dbraw/zinc/81/97/72/1018819772.db2.gz JAQRJZRWQVLEDQ-GMSGAONNSA-N -1 0 312.278 -0.355 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(OC)ncn1 ZINC001606383639 1018819960 /nfs/dbraw/zinc/81/99/60/1018819960.db2.gz IBWSMLUUJBDNKW-WCBMZHEXSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CN(C)C(C)=O)C1 ZINC001606391275 1018820661 /nfs/dbraw/zinc/82/06/61/1018820661.db2.gz GJHCIYXABFOWIZ-NXEZZACHSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cnncc2O)C1 ZINC001606394602 1018822028 /nfs/dbraw/zinc/82/20/28/1018822028.db2.gz PCSCNJDWXVBEFZ-CBAPKCEASA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(OC)ncn2)C1 ZINC001606392083 1018822327 /nfs/dbraw/zinc/82/23/27/1018822327.db2.gz LSIUCRGNTXWZID-SCZZXKLOSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cnc(C)nc2N)C1 ZINC001606395274 1018822628 /nfs/dbraw/zinc/82/26/28/1018822628.db2.gz VXVPLMUACNTCMU-PSASIEDQSA-N -1 0 322.321 -0.154 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(CO)on2)C1 ZINC001606393930 1018822966 /nfs/dbraw/zinc/82/29/66/1018822966.db2.gz WOTCXJDFDSTAPC-OIBJUYFYSA-N -1 0 312.278 -0.355 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(CO)on2)C1 ZINC001606393929 1018823103 /nfs/dbraw/zinc/82/31/03/1018823103.db2.gz WOTCXJDFDSTAPC-GMSGAONNSA-N -1 0 312.278 -0.355 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCc2cn[nH]n2)[C@H](C(=O)[O-])C1 ZINC001606402948 1018823701 /nfs/dbraw/zinc/82/37/01/1018823701.db2.gz IHIAYRGRFVYXHF-SCZZXKLOSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N(C)[C@H](C)C(=O)[O-])C1=O ZINC001606404691 1018824301 /nfs/dbraw/zinc/82/43/01/1018824301.db2.gz PQNYVZJBOABGHQ-BDAKNGLRSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001606405173 1018824541 /nfs/dbraw/zinc/82/45/41/1018824541.db2.gz YDENXKBRUSPZBE-MRVPVSSYSA-N -1 0 312.278 -0.089 20 0 DBADRM NC(=O)[C@]1(O)CCN(c2nc(-c3nnn[n-]3)c(Cl)s2)C1 ZINC001606404137 1018825013 /nfs/dbraw/zinc/82/50/13/1018825013.db2.gz FWIYSAGMLJSKIJ-VIFPVBQESA-N -1 0 315.746 -0.597 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cc(=O)[nH]cn2)[C@@H](C(=O)[O-])C1 ZINC001606407674 1018825860 /nfs/dbraw/zinc/82/58/60/1018825860.db2.gz SKJMKYQLSZQZMB-IONNQARKSA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCOCCF)C[C@@H]1C(=O)[O-] ZINC001606423611 1018832663 /nfs/dbraw/zinc/83/26/63/1018832663.db2.gz RDZKDZLJKDNYGG-IUCAKERBSA-N -1 0 306.290 -0.512 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1ccnc(-c2nnn[n-]2)n1 ZINC001606409456 1018826754 /nfs/dbraw/zinc/82/67/54/1018826754.db2.gz LXMFCLGRDGAAEK-NRPADANISA-N -1 0 300.326 -0.253 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1c1ccnc(-c2nnn[n-]2)n1 ZINC001606409455 1018827174 /nfs/dbraw/zinc/82/71/74/1018827174.db2.gz LXMFCLGRDGAAEK-MRTMQBJTSA-N -1 0 300.326 -0.253 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)/C=C(/C)C(=O)N1CC[C@H]1C(=O)[O-] ZINC001606415405 1018828910 /nfs/dbraw/zinc/82/89/10/1018828910.db2.gz FPEQNCQETVEBKS-OWSSEVEYSA-N -1 0 310.306 -0.608 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCCCC(N)=O)C[C@@H]1C(=O)[O-] ZINC001606417808 1018830187 /nfs/dbraw/zinc/83/01/87/1018830187.db2.gz JPMVOKGEVPQCIV-IUCAKERBSA-N -1 0 300.311 -0.636 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@]2(O)CCSC2)C[C@H]1C(=O)[O-] ZINC001606418116 1018829757 /nfs/dbraw/zinc/82/97/57/1018829757.db2.gz WAZJRGYCIIIXEW-DNSOKLHBSA-N -1 0 303.336 -0.813 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C(C)C)C[C@@H]1C(=O)[O-] ZINC001606417861 1018829917 /nfs/dbraw/zinc/82/99/17/1018829917.db2.gz SUWNFYMCXAHHKK-DTWKUNHWSA-N -1 0 300.311 -0.815 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CNCC(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001606417699 1018830227 /nfs/dbraw/zinc/83/02/27/1018830227.db2.gz ITLXAUMLKDHBJV-NKWVEPMBSA-N -1 0 312.244 -0.530 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCCF)C[C@@H]1C(=O)[O-] ZINC001606418160 1018830380 /nfs/dbraw/zinc/83/03/80/1018830380.db2.gz WNLFNBZFAHPSKJ-DTWKUNHWSA-N -1 0 318.301 -0.863 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@]2(O)CCSC2)C[C@H]1C(=O)[O-] ZINC001606418128 1018830501 /nfs/dbraw/zinc/83/05/01/1018830501.db2.gz WAZJRGYCIIIXEW-RWYTXXIDSA-N -1 0 303.336 -0.813 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2ncoc2C)C[C@@H]1C(=O)[O-] ZINC001606420349 1018831075 /nfs/dbraw/zinc/83/10/75/1018831075.db2.gz GVJIIDBNBWJOGT-IUCAKERBSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2nc(C)no2)C[C@H]1C(=O)[O-] ZINC001606419486 1018831613 /nfs/dbraw/zinc/83/16/13/1018831613.db2.gz DCJJDKLLLIZBGH-HTQZYQBOSA-N -1 0 312.282 -0.607 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1C(=O)[O-] ZINC001606422183 1018831740 /nfs/dbraw/zinc/83/17/40/1018831740.db2.gz NGICGLGSSBIEAX-BDAKNGLRSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1C(=O)[O-] ZINC001606420454 1018832081 /nfs/dbraw/zinc/83/20/81/1018832081.db2.gz UXWLODLNNRDBPQ-GHMZBOCLSA-N -1 0 322.317 -0.511 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCc2ocnc2C(=O)[O-])CCO1 ZINC001606420217 1018832087 /nfs/dbraw/zinc/83/20/87/1018832087.db2.gz TVPOSGAFZUYFLC-VIFPVBQESA-N -1 0 312.278 -0.294 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2cn(C)cn2)C[C@H]1C(=O)[O-] ZINC001606420643 1018832155 /nfs/dbraw/zinc/83/21/55/1018832155.db2.gz IIVQBAFCBXPRHQ-ZJUUUORDSA-N -1 0 310.310 -0.565 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2cc(C)no2)C[C@H]1C(=O)[O-] ZINC001606423364 1018832530 /nfs/dbraw/zinc/83/25/30/1018832530.db2.gz PXZOTUHJDJJNLE-ZJUUUORDSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2nnc(C3CC3)o2)C[C@@H]1C(=O)[O-] ZINC001606424695 1018832586 /nfs/dbraw/zinc/83/25/86/1018832586.db2.gz ABXSHYRPURAZFK-JGVFFNPUSA-N -1 0 309.278 -0.107 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)C[C@H]1C(=O)[O-] ZINC001606423643 1018832758 /nfs/dbraw/zinc/83/27/58/1018832758.db2.gz RJNMSUKVPIMBCN-VPJKUYQRSA-N -1 0 312.322 -0.179 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cnn(C(C)C)c2N)C[C@H]1C(=O)[O-] ZINC001606425702 1018832769 /nfs/dbraw/zinc/83/27/69/1018832769.db2.gz MSYLRDFGHFLSBN-ZJUUUORDSA-N -1 0 324.337 -0.008 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cc(C=O)n(C)n2)C[C@@H]1C(=O)[O-] ZINC001606424011 1018833700 /nfs/dbraw/zinc/83/37/00/1018833700.db2.gz ZHYBNRSNDWUKFR-DTWKUNHWSA-N -1 0 309.278 -0.822 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)Nc2ccccn2)C[C@H]1C(=O)[O-] ZINC001606430126 1018834306 /nfs/dbraw/zinc/83/43/06/1018834306.db2.gz MLNUIFZHCYAZOC-NXEZZACHSA-N -1 0 307.306 -0.174 20 0 DBADRM COC(=O)[C@H]1CSCCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606428487 1018834401 /nfs/dbraw/zinc/83/44/01/1018834401.db2.gz ACTREFLGHBFQAQ-HRDYMLBCSA-N -1 0 323.392 -0.230 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@H]1C(=O)[O-] ZINC001606426562 1018834542 /nfs/dbraw/zinc/83/45/42/1018834542.db2.gz RWZTZEPXTOACLP-HTQZYQBOSA-N -1 0 318.289 -0.096 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@H]1C(=O)[O-] ZINC001606428623 1018835602 /nfs/dbraw/zinc/83/56/02/1018835602.db2.gz FZRVPOZRZNBYKR-RNFRBKRXSA-N -1 0 312.244 -0.530 20 0 DBADRM COC(=O)[C@H]1CSCCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001606428711 1018835145 /nfs/dbraw/zinc/83/51/45/1018835145.db2.gz CZJFVDJOYIFJOI-MRVPVSSYSA-N -1 0 323.392 -0.086 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)Nc2ccccn2)C[C@H]1C(=O)[O-] ZINC001606430129 1018835634 /nfs/dbraw/zinc/83/56/34/1018835634.db2.gz MLNUIFZHCYAZOC-ZJUUUORDSA-N -1 0 307.306 -0.174 20 0 DBADRM COC(=O)[C@H]1CN(c2ncnc3c2cnn3C)C[C@@H]1C(=O)[O-] ZINC001606431216 1018837290 /nfs/dbraw/zinc/83/72/90/1018837290.db2.gz IJBGPOQCGMXNKF-IUCAKERBSA-N -1 0 305.294 -0.327 20 0 DBADRM COC(=O)C[C@H](NC(=O)CCc1cc(OC)no1)C(=O)[O-] ZINC001606439966 1018837867 /nfs/dbraw/zinc/83/78/67/1018837867.db2.gz DTAMXXQTVBGHNC-QMMMGPOBSA-N -1 0 300.267 -0.252 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H](C)Sc1nncn1C)C(=O)[O-] ZINC001606438354 1018837874 /nfs/dbraw/zinc/83/78/74/1018837874.db2.gz GUQDRMKCRGQLJZ-RNFRBKRXSA-N -1 0 316.339 -0.572 20 0 DBADRM NCc1nc(Cn2cc3c(c(-c4nnn[n-]4)c2=O)CCC3)no1 ZINC001606439751 1018838030 /nfs/dbraw/zinc/83/80/30/1018838030.db2.gz FMKATGNXMYJNKZ-UHFFFAOYSA-N -1 0 314.309 -0.593 20 0 DBADRM COC(=O)C[C@@H](C)CC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001606439118 1018838056 /nfs/dbraw/zinc/83/80/56/1018838056.db2.gz BOKREKCOIRNSRD-DTWKUNHWSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CN1CCN(C2CC2)C1=O)C(=O)[O-] ZINC001606441056 1018838327 /nfs/dbraw/zinc/83/83/27/1018838327.db2.gz WUJVRNCMGQOGLV-SECBINFHSA-N -1 0 313.310 -0.981 20 0 DBADRM COC(=O)C[C@H](NC(=O)COCc1cc(C)no1)C(=O)[O-] ZINC001606440303 1018838355 /nfs/dbraw/zinc/83/83/55/1018838355.db2.gz KBHKFGONTJXVDF-VIFPVBQESA-N -1 0 300.267 -0.368 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccccc1N)C(=O)[O-] ZINC001606443071 1018840672 /nfs/dbraw/zinc/84/06/72/1018840672.db2.gz IISQPYHHVIBEMH-QMMMGPOBSA-N -1 0 302.308 -0.437 20 0 DBADRM COC(=O)CCCCNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001606452698 1018841576 /nfs/dbraw/zinc/84/15/76/1018841576.db2.gz CDROOLFUKXSXHN-NXEZZACHSA-N -1 0 302.327 -0.193 20 0 DBADRM COC(=O)C[C@@H]1CSCCN1[C@H](C)C(=O)NCC(=O)[O-] ZINC001606447669 1018842100 /nfs/dbraw/zinc/84/21/00/1018842100.db2.gz WHYIXSDKKXDVLR-RKDXNWHRSA-N -1 0 304.368 -0.444 20 0 DBADRM COC(=O)CC[C@@H](C(=O)OC)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001606448087 1018842402 /nfs/dbraw/zinc/84/24/02/1018842402.db2.gz CNEKHXBUAMTQLZ-UTLUCORTSA-N -1 0 303.311 -0.345 20 0 DBADRM COC(=O)CCN1CCN(C(=O)NC[C@H](F)C(=O)[O-])[C@H](C)C1 ZINC001606454385 1018842473 /nfs/dbraw/zinc/84/24/73/1018842473.db2.gz FITXIMIBQRPEAE-ZJUUUORDSA-N -1 0 319.333 -0.312 20 0 DBADRM COC(=O)CC[C@H](C(=O)OC)N1CCC(O)(C(=O)[O-])CC1 ZINC001606449004 1018842721 /nfs/dbraw/zinc/84/27/21/1018842721.db2.gz SCMLLRLVFSWXMI-SECBINFHSA-N -1 0 303.311 -0.607 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1C[C@H]1CCCO1)C2 ZINC001606458698 1018843328 /nfs/dbraw/zinc/84/33/28/1018843328.db2.gz ISAGCIGUOCNSJK-GIPNMCIBSA-N -1 0 309.326 -0.611 20 0 DBADRM COC(=O)CN(C)C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001606464375 1018844245 /nfs/dbraw/zinc/84/42/45/1018844245.db2.gz XRZXSFKGWKFRLQ-QMMMGPOBSA-N -1 0 318.326 -0.014 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1C[C@H]1CCCCO1)C2 ZINC001606458551 1018844342 /nfs/dbraw/zinc/84/43/42/1018844342.db2.gz FREWZHLHDSJNSV-JTNHKYCSSA-N -1 0 323.353 -0.220 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CCC1(F)F ZINC001606468591 1018845211 /nfs/dbraw/zinc/84/52/11/1018845211.db2.gz NAKXXAAIPKOQPT-ZETCQYMHSA-N -1 0 315.294 -0.079 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cnc([C@H](C)O)s1 ZINC001606468229 1018845965 /nfs/dbraw/zinc/84/59/65/1018845965.db2.gz SLEILGGVUMHAMI-LURJTMIESA-N -1 0 302.308 -0.104 20 0 DBADRM COC(=O)C[C@@H](OC(=O)COc1c(C)nn(C)c1C)C(=O)[O-] ZINC001606476351 1018846236 /nfs/dbraw/zinc/84/62/36/1018846236.db2.gz GFVHPLRNAKIJSW-SECBINFHSA-N -1 0 314.294 -0.025 20 0 DBADRM COC(=O)CSCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001606474516 1018846518 /nfs/dbraw/zinc/84/65/18/1018846518.db2.gz CHZPUAPXPXIZCE-VIFPVBQESA-N -1 0 315.351 -0.182 20 0 DBADRM COC(=O)CSCCC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001606474983 1018846622 /nfs/dbraw/zinc/84/66/22/1018846622.db2.gz XEMHZDMDISFYKO-RKDXNWHRSA-N -1 0 305.352 -0.017 20 0 DBADRM COC(=O)N(C)CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001606486347 1018846891 /nfs/dbraw/zinc/84/68/91/1018846891.db2.gz LZDIAQBROBFXLV-BDAKNGLRSA-N -1 0 315.326 -0.878 20 0 DBADRM COC(=O)COc1cccc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC001606473704 1018847242 /nfs/dbraw/zinc/84/72/42/1018847242.db2.gz TVJYGZWHPPNLPA-HNNXBMFYSA-N -1 0 323.301 -0.100 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)NC2(CC(=O)[O-])CC2)cn1 ZINC001606483793 1018847360 /nfs/dbraw/zinc/84/73/60/1018847360.db2.gz DDFNZQKCPOIUHL-UHFFFAOYSA-N -1 0 317.323 -0.658 20 0 DBADRM COC(=O)COCC(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC001606473998 1018847424 /nfs/dbraw/zinc/84/74/24/1018847424.db2.gz LOZUAYPHIFQCAF-UHFFFAOYSA-N -1 0 303.296 -0.317 20 0 DBADRM COC(=O)N1CCC(CNC(=O)N2CC(O)(C(=O)[O-])C2)CC1 ZINC001606490993 1018847932 /nfs/dbraw/zinc/84/79/32/1018847932.db2.gz YXMXTAWTLPTLJA-UHFFFAOYSA-N -1 0 315.326 -0.694 20 0 DBADRM COC(=O)NCC(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001606493319 1018848037 /nfs/dbraw/zinc/84/80/37/1018848037.db2.gz BYMWAXDCDLCPCJ-SECBINFHSA-N -1 0 323.309 -0.456 20 0 DBADRM COC(=O)NCCNC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001606494562 1018848271 /nfs/dbraw/zinc/84/82/71/1018848271.db2.gz FYARNBUFUHTJNE-MRVPVSSYSA-N -1 0 305.356 -0.198 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001606501366 1018848443 /nfs/dbraw/zinc/84/84/43/1018848443.db2.gz VDPJFQUPFRWQKT-GMSGAONNSA-N -1 0 311.294 -0.521 20 0 DBADRM COC(=O)N1CCN(C(=O)C(=O)NCCCCC(=O)[O-])CC1 ZINC001606491365 1018848594 /nfs/dbraw/zinc/84/85/94/1018848594.db2.gz DFBCLBQPWFXANZ-UHFFFAOYSA-N -1 0 315.326 -0.732 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)c2cnn(C[C@@H](O)CO)c2)cc1 ZINC001606489089 1018848621 /nfs/dbraw/zinc/84/86/21/1018848621.db2.gz ATVCLKKPYWIJAB-CYBMUJFWSA-N -1 0 319.317 -0.136 20 0 DBADRM COC(=O)N1CC(NC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001606488225 1018848846 /nfs/dbraw/zinc/84/88/46/1018848846.db2.gz UKATWNDSSBGTGA-APPZFPTMSA-N -1 0 301.299 -0.680 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)[C@H](C)C1CC1 ZINC001606504659 1018849427 /nfs/dbraw/zinc/84/94/27/1018849427.db2.gz AUBHXJRHRZMVIH-PSASIEDQSA-N -1 0 322.383 -0.043 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCc2nncn2CC1 ZINC001606505011 1018849941 /nfs/dbraw/zinc/84/99/41/1018849941.db2.gz JWGMNLYVQYOKRN-VHSXEESVSA-N -1 0 324.337 -0.247 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1 ZINC001606509544 1018849979 /nfs/dbraw/zinc/84/99/79/1018849979.db2.gz GOMLOJDABARXOH-ZNSHCXBVSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1cnc(C(=O)[O-])cc1=O)C(C)C ZINC001606505886 1018850074 /nfs/dbraw/zinc/85/00/74/1018850074.db2.gz LWRROVIRGSMRGM-NSHDSACASA-N -1 0 311.294 -0.745 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cccn2c(=O)[nH]nc12 ZINC001606505057 1018850270 /nfs/dbraw/zinc/85/02/70/1018850270.db2.gz JXRSXWRSZOIZKC-MRVPVSSYSA-N -1 0 322.277 -0.429 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])C1 ZINC001606519220 1018850814 /nfs/dbraw/zinc/85/08/14/1018850814.db2.gz CKCROPFCOHGGNU-HRDYMLBCSA-N -1 0 323.392 -0.230 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001606519752 1018850835 /nfs/dbraw/zinc/85/08/35/1018850835.db2.gz LVIXSGSLWDSWIM-DOLQZWNJSA-N -1 0 321.351 -0.653 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N[C@@]2(CC(=O)[O-])CCOC2)C[C@H]1C ZINC001606514332 1018850871 /nfs/dbraw/zinc/85/08/71/1018850871.db2.gz JLVFQCWXDZKZCJ-RSVSFAPFSA-N -1 0 315.322 -0.297 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])C1 ZINC001606520054 1018850934 /nfs/dbraw/zinc/85/09/34/1018850934.db2.gz VSKXIYORGWVFDU-AEJSXWLSSA-N -1 0 315.322 -0.092 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCSC[C@H](C(=O)[O-])C2)O1 ZINC001606510826 1018851294 /nfs/dbraw/zinc/85/12/94/1018851294.db2.gz YBWWNCZRUOYLFY-BBBLOLIVSA-N -1 0 317.363 -0.017 20 0 DBADRM COC(=O)[C@@H]1CN(CN2C[C@@H](C(=O)[O-])OC2=O)C[C@@H](C)O1 ZINC001606510957 1018851838 /nfs/dbraw/zinc/85/18/38/1018851838.db2.gz TWNFRSNLOSCDMG-VGMNWLOBSA-N -1 0 302.283 -0.888 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@@H](OC)C[C@@H]2C(=O)[O-])O1 ZINC001606516049 1018851917 /nfs/dbraw/zinc/85/19/17/1018851917.db2.gz FEUYSWRQINJBBN-CHWFTXMASA-N -1 0 315.322 -0.202 20 0 DBADRM COC(=O)c1c[nH]c(C(=O)[O-])c1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001606527554 1018852297 /nfs/dbraw/zinc/85/22/97/1018852297.db2.gz MKTDLFAOSQOQNS-ZCFIWIBFSA-N -1 0 309.278 -0.084 20 0 DBADRM COC(=O)c1cc(C(=O)CN2CCN(CC(=O)[O-])CC2)c(C)[nH]1 ZINC001606535004 1018852590 /nfs/dbraw/zinc/85/25/90/1018852590.db2.gz OKKILMKWSCDDBI-UHFFFAOYSA-N -1 0 323.349 -0.005 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN2CCC(C(N)=O)CC2)n1 ZINC001606536762 1018852761 /nfs/dbraw/zinc/85/27/61/1018852761.db2.gz KESCRVKZFSUYFU-UHFFFAOYSA-N -1 0 310.310 -0.477 20 0 DBADRM COC(=O)[C@@]12C[C@@H]1C[C@@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C2 ZINC001606521722 1018853151 /nfs/dbraw/zinc/85/31/51/1018853151.db2.gz UKOFANCXROAZQZ-APOZVJGGSA-N -1 0 305.352 -0.032 20 0 DBADRM O=C(CCOCC1CC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001606525484 1018853158 /nfs/dbraw/zinc/85/31/58/1018853158.db2.gz NCJMNQNZFSNJCO-UHFFFAOYSA-N -1 0 306.330 -0.609 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)NC[C@H](F)C(=O)[O-] ZINC001606525431 1018853406 /nfs/dbraw/zinc/85/34/06/1018853406.db2.gz SZPKPZYFHQSNRM-YFKPBYRVSA-N -1 0 309.275 -0.794 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)c2cnn(C[C@H](O)CO)c2)c1 ZINC001606533872 1018853422 /nfs/dbraw/zinc/85/34/22/1018853422.db2.gz LMOHVLYWASCAEK-JTQLQIEISA-N -1 0 306.278 -0.418 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001606537738 1018853547 /nfs/dbraw/zinc/85/35/47/1018853547.db2.gz SABQCTKHJYKQSI-KLBQYZOKSA-N -1 0 313.335 -0.469 20 0 DBADRM COC(=O)c1c[nH]c(C(=O)[O-])c1NC(=O)[C@H](C)S(C)(=O)=O ZINC001606527535 1018853570 /nfs/dbraw/zinc/85/35/70/1018853570.db2.gz MBUCMHGZKJXUJO-YFKPBYRVSA-N -1 0 318.307 -0.129 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCOC(=O)C1CC1 ZINC001606552127 1018854156 /nfs/dbraw/zinc/85/41/56/1018854156.db2.gz JJNLCPUVLXWKST-VIFPVBQESA-N -1 0 306.340 -0.677 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)N1CCN(C(=O)CO)CC1 ZINC001606546407 1018854338 /nfs/dbraw/zinc/85/43/38/1018854338.db2.gz PNNRTYWUCSDREM-UHFFFAOYSA-N -1 0 308.294 -0.552 20 0 DBADRM COC(=O)c1cc(NC(=O)CCNC(=O)CO)cc(C(=O)[O-])c1 ZINC001606550737 1018854598 /nfs/dbraw/zinc/85/45/98/1018854598.db2.gz SSLFBJCWSXOFDQ-UHFFFAOYSA-N -1 0 324.289 -0.392 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCNC(=O)C1)c1ccc(F)cc1 ZINC001606564052 1018855095 /nfs/dbraw/zinc/85/50/95/1018855095.db2.gz OWJPBLKCUHWRPI-CYBMUJFWSA-N -1 0 309.297 -0.501 20 0 DBADRM O=C(CNc1ccnc(-c2nnn[n-]2)n1)NC1CCCCC1 ZINC001606559374 1018855105 /nfs/dbraw/zinc/85/51/05/1018855105.db2.gz DWHFLCWQIOTCOV-UHFFFAOYSA-N -1 0 302.342 -0.061 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)NCCO3)CCO1 ZINC001606566169 1018855520 /nfs/dbraw/zinc/85/55/20/1018855520.db2.gz GEGHKAWQYQVHNY-GFCCVEGCSA-N -1 0 320.301 -0.266 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@@H]2CSCC(=O)N2)CCOCC1 ZINC001606563773 1018856139 /nfs/dbraw/zinc/85/61/39/1018856139.db2.gz IPYAEIJYTDHXBS-QMMMGPOBSA-N -1 0 302.352 -0.784 20 0 DBADRM O=C([O-])[C@@H](C(=O)NCCCN1CCNC(=O)C1)C1CCCC1 ZINC001606563920 1018856214 /nfs/dbraw/zinc/85/62/14/1018856214.db2.gz MCWTXUUFQGVWIN-CYBMUJFWSA-N -1 0 311.382 -0.185 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)OCc1cc(-c2nn[nH]n2)ccn1 ZINC001606580627 1018857080 /nfs/dbraw/zinc/85/70/80/1018857080.db2.gz WPPHPLJBAADBQK-UHFFFAOYSA-N -1 0 323.334 -0.118 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)nc1)N[C@]1(CO)CCOC1 ZINC001606593991 1018857411 /nfs/dbraw/zinc/85/74/11/1018857411.db2.gz BOWCUPZTXNDXJV-ZDUSSCGKSA-N -1 0 304.310 -0.928 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])o1 ZINC001606607233 1018858236 /nfs/dbraw/zinc/85/82/36/1018858236.db2.gz SXHJQCFYPOFDJM-LURJTMIESA-N -1 0 307.280 -0.820 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H](CO)CC1CCC1 ZINC001606620351 1018860192 /nfs/dbraw/zinc/86/01/92/1018860192.db2.gz JWRGGYZNFPDZST-SECBINFHSA-N -1 0 306.330 -0.875 20 0 DBADRM COC(=O)c1cn(C2CN(C(=O)C[C@@H](C)CC(=O)[O-])C2)nn1 ZINC001606623070 1018860509 /nfs/dbraw/zinc/86/05/09/1018860509.db2.gz OHNJDCCBPRRAGL-MRVPVSSYSA-N -1 0 310.310 -0.051 20 0 DBADRM COC(=O)c1cn([C@H]2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])C2)nn1 ZINC001606622771 1018860591 /nfs/dbraw/zinc/86/05/91/1018860591.db2.gz CLPWLTAHCXMVKL-LPEHRKFASA-N -1 0 322.321 -0.051 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cc(=O)c(Cl)c[nH]1 ZINC001606623426 1018860760 /nfs/dbraw/zinc/86/07/60/1018860760.db2.gz IXSMGWHHJBUIPG-UHFFFAOYSA-N -1 0 321.688 -0.149 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC2(C1)CCOCC2 ZINC001606620966 1018861256 /nfs/dbraw/zinc/86/12/56/1018861256.db2.gz XECTYYFXMUFVRR-UHFFFAOYSA-N -1 0 304.314 -0.903 20 0 DBADRM COC(=O)c1cn(C2CN(C(=O)C34CC(C(=O)[O-])(C3)C4)C2)nn1 ZINC001606623391 1018861466 /nfs/dbraw/zinc/86/14/66/1018861466.db2.gz WVLPGESNMUMVPK-UHFFFAOYSA-N -1 0 320.305 -0.297 20 0 DBADRM COC(=O)c1cnn(CC(=O)NCCSCC(=O)[O-])c1 ZINC001606630049 1018861972 /nfs/dbraw/zinc/86/19/72/1018861972.db2.gz UVBLXXKZWHGPEK-UHFFFAOYSA-N -1 0 301.324 -0.396 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001606625746 1018862297 /nfs/dbraw/zinc/86/22/97/1018862297.db2.gz NSVJFOWMECBYPY-BQBZGAKWSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)c1cn(CC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])nn1 ZINC001606625449 1018862839 /nfs/dbraw/zinc/86/28/39/1018862839.db2.gz JNMWLMIPBWGYAI-DTWKUNHWSA-N -1 0 310.310 -0.176 20 0 DBADRM COC(=O)c1nccc(NC(=O)c2ccc(C(=O)[O-])n2C)n1 ZINC001606635566 1018862845 /nfs/dbraw/zinc/86/28/45/1018862845.db2.gz GRDODMBUNNKZKD-UHFFFAOYSA-N -1 0 304.262 -0.026 20 0 DBADRM COC(C)(C)CN(C)C(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001606656797 1018863526 /nfs/dbraw/zinc/86/35/26/1018863526.db2.gz YDPQOCFHNHMQPJ-ZJUUUORDSA-N -1 0 316.354 -0.430 20 0 DBADRM CO[C@H](C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-])[C@@H]1CCOC1 ZINC001606649803 1018863546 /nfs/dbraw/zinc/86/35/46/1018863546.db2.gz XRTOMWLJRAOMHE-SUNKGSAMSA-N -1 0 311.338 -0.106 20 0 DBADRM CO[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])c1cnn(C)c1 ZINC001606644257 1018864003 /nfs/dbraw/zinc/86/40/03/1018864003.db2.gz IYLFHFFZRLKLKX-JQWIXIFHSA-N -1 0 324.337 -0.701 20 0 DBADRM CO[C@H](C(=O)NCCCNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001606652108 1018864054 /nfs/dbraw/zinc/86/40/54/1018864054.db2.gz ZBYWGROYJTXUGX-NSHDSACASA-N -1 0 308.338 -0.060 20 0 DBADRM CO[C@@](C)(CO)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001606660309 1018864078 /nfs/dbraw/zinc/86/40/78/1018864078.db2.gz ZYDODVYOTWYVFA-CQSZACIVSA-N -1 0 310.306 -0.163 20 0 DBADRM CO[C@@](C)(C(=O)NCCOCC(=O)[O-])C(=O)OC(C)(C)C ZINC001606650873 1018864181 /nfs/dbraw/zinc/86/41/81/1018864181.db2.gz CRMBYOPQJYESHT-ZDUSSCGKSA-N -1 0 305.327 -0.049 20 0 DBADRM CO[C@@](C)(CO)CNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001606660029 1018864260 /nfs/dbraw/zinc/86/42/60/1018864260.db2.gz UXJYWVLKBPZLBW-GFCCVEGCSA-N -1 0 318.351 -0.236 20 0 DBADRM CO[C@H](C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-])[C@H]1CCOC1 ZINC001606649801 1018864697 /nfs/dbraw/zinc/86/46/97/1018864697.db2.gz XRTOMWLJRAOMHE-COPLHBTASA-N -1 0 311.338 -0.106 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])C(F)(F)F ZINC001606674021 1018865585 /nfs/dbraw/zinc/86/55/85/1018865585.db2.gz SWBUKMVVIVKEQU-WHFBIAKZSA-N -1 0 304.196 -0.781 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C(F)(F)F ZINC001606674220 1018865816 /nfs/dbraw/zinc/86/58/16/1018865816.db2.gz XYLPAGKWSQALBG-ACZMJKKPSA-N -1 0 312.244 -0.341 20 0 DBADRM CO[C@H](CNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001606676600 1018866014 /nfs/dbraw/zinc/86/60/14/1018866014.db2.gz REOXRWYEMXXFTF-DDHJBXDOSA-N -1 0 316.354 -0.485 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001606661510 1018866048 /nfs/dbraw/zinc/86/60/48/1018866048.db2.gz NZJANTPAESDGOE-DTWKUNHWSA-N -1 0 308.356 -0.984 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC1CC(C(=O)[O-])C1)[C@H]1CCOC1 ZINC001606682613 1018866334 /nfs/dbraw/zinc/86/63/34/1018866334.db2.gz FWDACEXEOXCNAO-PMUOWJKOSA-N -1 0 307.368 -0.180 20 0 DBADRM CO[C@@H](Cc1ccccc1)CS(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC001606685061 1018866652 /nfs/dbraw/zinc/86/66/52/1018866652.db2.gz DBOHVDURHAAQPR-RYUDHWBXSA-N -1 0 317.363 -0.391 20 0 DBADRM CO[C@H](Cc1ccccc1)CS(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC001606685059 1018866681 /nfs/dbraw/zinc/86/66/81/1018866681.db2.gz DBOHVDURHAAQPR-NEPJUHHUSA-N -1 0 317.363 -0.391 20 0 DBADRM COC1(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])CS(=O)(=O)C1 ZINC001606690448 1018866856 /nfs/dbraw/zinc/86/68/56/1018866856.db2.gz QFBNHFMYVDQZJP-SECBINFHSA-N -1 0 305.352 -0.583 20 0 DBADRM CO[C@]1(C(=O)N[C@@H](CC(=O)[O-])C2CC2)CCS(=O)(=O)C1 ZINC001606690442 1018866876 /nfs/dbraw/zinc/86/68/76/1018866876.db2.gz PXAXHEUZTOOBFZ-JOYOIKCWSA-N -1 0 305.352 -0.440 20 0 DBADRM COC1(C(=O)NCc2ncc(C(=O)[O-])s2)CS(=O)(=O)C1 ZINC001606690541 1018866920 /nfs/dbraw/zinc/86/69/20/1018866920.db2.gz VXKVZLAKJRUDDG-UHFFFAOYSA-N -1 0 320.348 -0.729 20 0 DBADRM CO[C@H](CS(=O)(=O)NC[C@H](O)C(=O)[O-])C1CCCCC1 ZINC001606683339 1018867125 /nfs/dbraw/zinc/86/71/25/1018867125.db2.gz SBNFBPSGTKZMDC-WDEREUQCSA-N -1 0 309.384 -0.053 20 0 DBADRM CO[C@@H](Cc1ccccc1)CS(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC001606685060 1018867283 /nfs/dbraw/zinc/86/72/83/1018867283.db2.gz DBOHVDURHAAQPR-NWDGAFQWSA-N -1 0 317.363 -0.391 20 0 DBADRM CO[C@@H](Cn1nnnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C1CC1 ZINC001606685512 1018867351 /nfs/dbraw/zinc/86/73/51/1018867351.db2.gz UIADGBDHEZJAGF-MIMYLULJSA-N -1 0 311.342 -0.224 20 0 DBADRM COC1(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CS(=O)(=O)C1 ZINC001606690585 1018867681 /nfs/dbraw/zinc/86/76/81/1018867681.db2.gz YCGBKHKKGQTKDI-CABZTGNLSA-N -1 0 317.363 -0.487 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCCOCC2)C1 ZINC001606691571 1018868020 /nfs/dbraw/zinc/86/80/20/1018868020.db2.gz ONGJHQQIKUNCQO-HZMBPMFUSA-N -1 0 314.338 -0.626 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1 ZINC001606696540 1018868084 /nfs/dbraw/zinc/86/80/84/1018868084.db2.gz DGBYURXRXLSGHU-CABZTGNLSA-N -1 0 320.367 -0.551 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CSc2n[nH]c(C)n2)C1 ZINC001606696246 1018868180 /nfs/dbraw/zinc/86/81/80/1018868180.db2.gz BXOLKJMJCFZHJV-NSHDSACASA-N -1 0 300.340 -0.093 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H](C)OC[C@H]2C)C1 ZINC001606692610 1018868730 /nfs/dbraw/zinc/86/87/30/1018868730.db2.gz ZABZQYDOYCUYRN-GPCCPHFNSA-N -1 0 314.338 -0.676 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@@](C)(O)Cn2ccccc2=O)C1 ZINC001606696690 1018868854 /nfs/dbraw/zinc/86/88/54/1018868854.db2.gz NAWQFOMTXCMJSX-GJZGRUSLSA-N -1 0 324.333 -0.699 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC001606697159 1018868924 /nfs/dbraw/zinc/86/89/24/1018868924.db2.gz KWMWSDZOBBHLGL-CQSZACIVSA-N -1 0 307.306 -0.487 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCCCC(=O)NC2CC2)C1 ZINC001606699244 1018869483 /nfs/dbraw/zinc/86/94/83/1018869483.db2.gz QYIQXCDRNCKWII-CQSZACIVSA-N -1 0 313.354 -0.070 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001606700387 1018869602 /nfs/dbraw/zinc/86/96/02/1018869602.db2.gz JYZFCPNPVOMDCG-AWEZNQCLSA-N -1 0 317.305 -0.022 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001606700390 1018869744 /nfs/dbraw/zinc/86/97/44/1018869744.db2.gz JYZFCPNPVOMDCG-CQSZACIVSA-N -1 0 317.305 -0.022 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001606700789 1018870278 /nfs/dbraw/zinc/87/02/78/1018870278.db2.gz RHFGZVASIQBAQN-ZDUSSCGKSA-N -1 0 318.293 -0.423 20 0 DBADRM COC1([C@H](C(=O)[O-])N(C)CC(=O)N2CCOCC2)CCC1 ZINC001606709094 1018870941 /nfs/dbraw/zinc/87/09/41/1018870941.db2.gz VCSPNOBGPYRXJH-LBPRGKRZSA-N -1 0 300.355 -0.201 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnnn2CCc2cccnc2)C1 ZINC001606707034 1018870994 /nfs/dbraw/zinc/87/09/94/1018870994.db2.gz UMHLGZIVCSXJLQ-AWEZNQCLSA-N -1 0 318.337 -0.009 20 0 DBADRM CO[C@@]1(CNC(=O)N2CC[C@@](OC)(C(=O)[O-])C2)CCOC1 ZINC001606716843 1018871216 /nfs/dbraw/zinc/87/12/16/1018871216.db2.gz MHVDBQXDKJBNDP-OLZOCXBDSA-N -1 0 302.327 -0.323 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCn2ccnc2)C1 ZINC001606705421 1018871275 /nfs/dbraw/zinc/87/12/75/1018871275.db2.gz FGUQOMAEPVZRIQ-LLVKDONJSA-N -1 0 303.340 -0.612 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)CCOC1 ZINC001606715081 1018871298 /nfs/dbraw/zinc/87/12/98/1018871298.db2.gz ZAIKVQBJGFSHNL-CQSZACIVSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C(C=C1CCC1)NC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001501775255 1018871393 /nfs/dbraw/zinc/87/13/93/1018871393.db2.gz PECHMOJQPNNYNC-UPHRSURJSA-N -1 0 321.337 -0.412 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001606707021 1018871605 /nfs/dbraw/zinc/87/16/05/1018871605.db2.gz UOLSEIACENBMAI-FZMZJTMJSA-N -1 0 310.354 -0.010 20 0 DBADRM COC1(C(=O)O[C@H]2CCC[C@H](C(=O)[O-])C2)CS(=O)(=O)C1 ZINC001606707578 1018871684 /nfs/dbraw/zinc/87/16/84/1018871684.db2.gz YADDAEXGROMMRL-IUCAKERBSA-N -1 0 306.336 -0.013 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)CCOC1 ZINC001606713970 1018871995 /nfs/dbraw/zinc/87/19/95/1018871995.db2.gz CIKQFMHOKOVFIP-RBZYPMLTSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@H]1CCN(C(=O)CCCCNC(N)=O)[C@H](C(=O)[O-])C1 ZINC001606749286 1018873058 /nfs/dbraw/zinc/87/30/58/1018873058.db2.gz AGYKIJIGKMGJKS-UWVGGRQHSA-N -1 0 301.343 -0.084 20 0 DBADRM CO[C@H]1CCC[C@H]1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001606743614 1018872548 /nfs/dbraw/zinc/87/25/48/1018872548.db2.gz YTMXQWJTCOFFTE-ZJUUUORDSA-N -1 0 308.338 -0.060 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@H](C)N2CCN(C)CC2)[C@H](C(=O)[O-])C1 ZINC001606748010 1018872610 /nfs/dbraw/zinc/87/26/10/1018872610.db2.gz CESHOFILYWDSGX-XQQFMLRXSA-N -1 0 313.398 -0.287 20 0 DBADRM CO[C@@H]1CC[C@@H](NC(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001606732912 1018872788 /nfs/dbraw/zinc/87/27/88/1018872788.db2.gz MNTDXCVGRIXJMM-NXEZZACHSA-N -1 0 301.343 -0.166 20 0 DBADRM COC1(OC)CCOC[C@H]1NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001606724728 1018872820 /nfs/dbraw/zinc/87/28/20/1018872820.db2.gz ZAPQSBKZMOHFDT-SNVBAGLBSA-N -1 0 313.310 -0.525 20 0 DBADRM COC1(OC)CCN(C(=O)c2ccnc(C(=O)[O-])c2)C[C@@H]1O ZINC001606722583 1018872952 /nfs/dbraw/zinc/87/29/52/1018872952.db2.gz ILYWPVVMOZSJEV-NSHDSACASA-N -1 0 310.306 -0.024 20 0 DBADRM CO[C@@H]1CCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001606740903 1018873043 /nfs/dbraw/zinc/87/30/43/1018873043.db2.gz FOJOZBRZHXCVJM-GMTAPVOTSA-N -1 0 319.379 -0.098 20 0 DBADRM CO[C@@H]1CC[C@H](NC(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001606732914 1018873443 /nfs/dbraw/zinc/87/34/43/1018873443.db2.gz MNTDXCVGRIXJMM-VHSXEESVSA-N -1 0 301.343 -0.166 20 0 DBADRM CO[C@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C12CCC2 ZINC001606723644 1018873451 /nfs/dbraw/zinc/87/34/51/1018873451.db2.gz WJYDVKONHUCZQU-MMWGEVLESA-N -1 0 310.350 -0.103 20 0 DBADRM CO[C@H]1CCN(Cc2nnc3c(=O)n(C)ccn23)[C@H](C(=O)[O-])C1 ZINC001606762491 1018874214 /nfs/dbraw/zinc/87/42/14/1018874214.db2.gz ZWXASOLRQHUNQH-UWVGGRQHSA-N -1 0 321.337 -0.508 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)N=S(C)(C)=O)[C@H](C(=O)[O-])C1 ZINC001606762478 1018874221 /nfs/dbraw/zinc/87/42/21/1018874221.db2.gz ZLZYRQRFUBRFOC-YUMQZZPRSA-N -1 0 314.385 -0.477 20 0 DBADRM COCC(=O)NCCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC001606774141 1018874808 /nfs/dbraw/zinc/87/48/08/1018874808.db2.gz GDNNEKSCYJLLHD-UHFFFAOYSA-N -1 0 302.327 -0.769 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001606771791 1018874911 /nfs/dbraw/zinc/87/49/11/1018874911.db2.gz JJCJKQFTUSGDOC-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM COCC(=O)NCCC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001606774169 1018875035 /nfs/dbraw/zinc/87/50/35/1018875035.db2.gz HPDHQCBJSDLMRH-VHSXEESVSA-N -1 0 302.327 -0.722 20 0 DBADRM COCC(=O)N1CCC(CNc2ccnc(C(=O)[O-])n2)CC1 ZINC001606772708 1018875174 /nfs/dbraw/zinc/87/51/74/1018875174.db2.gz VYIZQFUZGYXGJI-UHFFFAOYSA-N -1 0 308.338 -0.106 20 0 DBADRM COCC(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001606774709 1018875235 /nfs/dbraw/zinc/87/52/35/1018875235.db2.gz XXNKFNUPNGWXNM-VHSXEESVSA-N -1 0 308.338 -0.060 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CCC(O)(C(=O)[O-])CC1)C(C)C ZINC001606774670 1018875617 /nfs/dbraw/zinc/87/56/17/1018875617.db2.gz VZMXWBCPDQHDII-NSHDSACASA-N -1 0 316.354 -0.788 20 0 DBADRM COCC(=O)NCCC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001606774385 1018875758 /nfs/dbraw/zinc/87/57/58/1018875758.db2.gz NWAIXWKNXVGPIF-UHFFFAOYSA-N -1 0 313.310 -0.123 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)N1CCN(C)CC1 ZINC001606779788 1018876667 /nfs/dbraw/zinc/87/66/67/1018876667.db2.gz KCBLCHVLPJNLCF-RISCZKNCSA-N -1 0 301.387 -0.382 20 0 DBADRM CC(C)[C@@H](F)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001501815981 1018877366 /nfs/dbraw/zinc/87/73/66/1018877366.db2.gz FNXHNGZYRMPFFT-GXSJLCMTSA-N -1 0 315.349 -0.179 20 0 DBADRM O=C(NCCc1ccc(-c2nn[nH]n2)cc1)[C@H]1COCCO1 ZINC001606793317 1018877725 /nfs/dbraw/zinc/87/77/25/1018877725.db2.gz IAALCUCPPLZGRK-GFCCVEGCSA-N -1 0 303.322 -0.059 20 0 DBADRM COC[C@](C)(NC(=O)c1cn(C2CCOCC2)nn1)C(=O)[O-] ZINC001606791609 1018878812 /nfs/dbraw/zinc/87/88/12/1018878812.db2.gz SSXDFAZNDDPWNK-ZDUSSCGKSA-N -1 0 312.326 -0.151 20 0 DBADRM COC[C@@](C)(NC(=O)c1ccnc(S(C)(=O)=O)n1)C(=O)[O-] ZINC001606791886 1018878885 /nfs/dbraw/zinc/87/88/85/1018878885.db2.gz VIKDVERDCMPXJB-LLVKDONJSA-N -1 0 317.323 -0.900 20 0 DBADRM COCC(COC)N1CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC001606804385 1018879268 /nfs/dbraw/zinc/87/92/68/1018879268.db2.gz HOAVHEYLEQMVDE-OLZOCXBDSA-N -1 0 314.382 -0.097 20 0 DBADRM COC[C@@H](CCO)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001606800212 1018879458 /nfs/dbraw/zinc/87/94/58/1018879458.db2.gz FYWDUBAXKMPJNP-SECBINFHSA-N -1 0 304.324 -0.545 20 0 DBADRM O=C(NCCc1n[n-]c(=S)o1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001606802388 1018879757 /nfs/dbraw/zinc/87/97/57/1018879757.db2.gz OKOPRLWOBIOVCX-UHFFFAOYSA-N -1 0 306.311 -0.161 20 0 DBADRM O=C(NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C1CCCC1 ZINC001606801707 1018879779 /nfs/dbraw/zinc/87/97/79/1018879779.db2.gz DSPZHFUMIZTMMI-UHFFFAOYSA-N -1 0 319.325 -0.565 20 0 DBADRM COC[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])nc1)OC ZINC001606800157 1018879804 /nfs/dbraw/zinc/87/98/04/1018879804.db2.gz DQDDROZMLLBYLF-MRVPVSSYSA-N -1 0 304.324 -0.281 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NCC1CC=CC1 ZINC001606803447 1018880602 /nfs/dbraw/zinc/88/06/02/1018880602.db2.gz WXYSALJERAFXLN-UHFFFAOYSA-N -1 0 303.330 -0.276 20 0 DBADRM O=C(NCCn1cnnc1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001606802164 1018880652 /nfs/dbraw/zinc/88/06/52/1018880652.db2.gz HCJICTNIJQAONC-UHFFFAOYSA-N -1 0 300.282 -0.406 20 0 DBADRM COC[C@@H](CO)NC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001606805264 1018881069 /nfs/dbraw/zinc/88/10/69/1018881069.db2.gz YQZNIPKKBJNFRE-SECBINFHSA-N -1 0 300.315 -0.168 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)C(N)=O ZINC001606816077 1018881122 /nfs/dbraw/zinc/88/11/22/1018881122.db2.gz MHSUKYDPSOFHQF-SECBINFHSA-N -1 0 320.298 -0.698 20 0 DBADRM COC[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)C(N)=O ZINC001606807666 1018881312 /nfs/dbraw/zinc/88/13/12/1018881312.db2.gz ONWGNXRLKHIYTN-SNVBAGLBSA-N -1 0 311.294 -0.228 20 0 DBADRM COC[C@@H](NC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(=O)[O-] ZINC001606813730 1018881358 /nfs/dbraw/zinc/88/13/58/1018881358.db2.gz YJJLETRDMPFQAM-SECBINFHSA-N -1 0 312.326 -0.277 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1COCCN1C1CCCC1)C(=O)[O-] ZINC001606806276 1018881688 /nfs/dbraw/zinc/88/16/88/1018881688.db2.gz LTMFAHJLOIYIGO-RYUDHWBXSA-N -1 0 300.355 -0.154 20 0 DBADRM COCC(COC)OC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606805188 1018881938 /nfs/dbraw/zinc/88/19/38/1018881938.db2.gz XCSPZTPQDWIMMU-JTQLQIEISA-N -1 0 303.311 -0.486 20 0 DBADRM COC[C@H](CO)NC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001606805265 1018881982 /nfs/dbraw/zinc/88/19/82/1018881982.db2.gz YQZNIPKKBJNFRE-VIFPVBQESA-N -1 0 300.315 -0.168 20 0 DBADRM COC[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)[C@@H]1CCCOC1 ZINC001606808999 1018881992 /nfs/dbraw/zinc/88/19/92/1018881992.db2.gz DUVVZOVDDIEKFD-MWLCHTKSSA-N -1 0 312.326 -0.466 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)[O-] ZINC001606806178 1018882002 /nfs/dbraw/zinc/88/20/02/1018882002.db2.gz ITFSAWNVPUYLSQ-YUMQZZPRSA-N -1 0 314.260 -0.535 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C(=O)[O-] ZINC001606814054 1018882088 /nfs/dbraw/zinc/88/20/88/1018882088.db2.gz ZWFWSGHXEAUCLM-DOLQZWNJSA-N -1 0 305.352 -0.442 20 0 DBADRM COC[C@H](OC)C(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-] ZINC001606823669 1018882798 /nfs/dbraw/zinc/88/27/98/1018882798.db2.gz WJAYSXXDOKYDGZ-LURJTMIESA-N -1 0 303.271 -0.921 20 0 DBADRM COC[C@H](OC)C(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001606823493 1018882924 /nfs/dbraw/zinc/88/29/24/1018882924.db2.gz WCDHAFLWHQUEQT-NSHDSACASA-N -1 0 324.337 -0.515 20 0 DBADRM COCC1(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001606821390 1018883195 /nfs/dbraw/zinc/88/31/95/1018883195.db2.gz CLBIGOQTAHSPIE-QWRGUYRKSA-N -1 0 310.350 -0.197 20 0 DBADRM COCC1(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001606821389 1018883338 /nfs/dbraw/zinc/88/33/38/1018883338.db2.gz CLBIGOQTAHSPIE-MNOVXSKESA-N -1 0 310.350 -0.197 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)C(N)=O ZINC001606818630 1018883504 /nfs/dbraw/zinc/88/35/04/1018883504.db2.gz NNZGPOANKXWEHX-JTQLQIEISA-N -1 0 316.335 -0.908 20 0 DBADRM COC[C@@H](OC)C(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001606823492 1018883534 /nfs/dbraw/zinc/88/35/34/1018883534.db2.gz WCDHAFLWHQUEQT-LLVKDONJSA-N -1 0 324.337 -0.515 20 0 DBADRM COC[C@H](O)C(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001606818611 1018883548 /nfs/dbraw/zinc/88/35/48/1018883548.db2.gz MTNARUOZVSMAHA-WPRPVWTQSA-N -1 0 303.311 -0.751 20 0 DBADRM COC[C@H](OC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001606818640 1018883625 /nfs/dbraw/zinc/88/36/25/1018883625.db2.gz NSHOUENZOVBHTC-SCZZXKLOSA-N -1 0 311.294 -0.584 20 0 DBADRM COC[C@H](OC(=O)c1ccc(OC)c(-n2cnnn2)c1)C(=O)[O-] ZINC001606821842 1018883639 /nfs/dbraw/zinc/88/36/39/1018883639.db2.gz VEMVFPBYHXCTKA-NSHDSACASA-N -1 0 322.277 -0.073 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N=S(C)(C)=O ZINC001606834653 1018884082 /nfs/dbraw/zinc/88/40/82/1018884082.db2.gz VABYUJBEAXUTCH-VIFPVBQESA-N -1 0 314.385 -0.476 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(C(N)=O)nc1 ZINC001606833168 1018884535 /nfs/dbraw/zinc/88/45/35/1018884535.db2.gz LBFPVCQWLKHWQK-CQSZACIVSA-N -1 0 307.306 -0.114 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1Cc1cn(CC(=O)OC)nn1 ZINC001606834247 1018885239 /nfs/dbraw/zinc/88/52/39/1018885239.db2.gz MPFMIFIDEMXBPY-CYBMUJFWSA-N -1 0 312.326 -0.483 20 0 DBADRM COC[C@@H]1CC[C@H]([C@H]2COCCN2C[C@@](C)(O)C(=O)[O-])O1 ZINC001606845296 1018885663 /nfs/dbraw/zinc/88/56/63/1018885663.db2.gz JUGQAEIRLPFZNS-FMCLSXCISA-N -1 0 303.355 -0.283 20 0 DBADRM COCC1(O)CN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001606842911 1018885930 /nfs/dbraw/zinc/88/59/30/1018885930.db2.gz XSHMMAYMOLSARP-VHSXEESVSA-N -1 0 307.368 -0.347 20 0 DBADRM COC[C@@]1(CO)CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001606840606 1018886617 /nfs/dbraw/zinc/88/66/17/1018886617.db2.gz FLUXBSBOFYEREN-LBPRGKRZSA-N -1 0 321.395 -0.098 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cc(-c2nn[nH]n2)ccc1F ZINC001606844899 1018886678 /nfs/dbraw/zinc/88/66/78/1018886678.db2.gz PIGJSIGOVKTFHZ-UHFFFAOYSA-N -1 0 304.245 -0.241 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCO1 ZINC001606847434 1018886843 /nfs/dbraw/zinc/88/68/43/1018886843.db2.gz BIQORRZUZXRSNF-MRVPVSSYSA-N -1 0 319.339 -0.548 20 0 DBADRM COCC[C@](C)(O)CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001606852919 1018887287 /nfs/dbraw/zinc/88/72/87/1018887287.db2.gz VSMJJISFFNWNSZ-LBPRGKRZSA-N -1 0 318.351 -0.154 20 0 DBADRM COCCC(=O)N1C[C@H](C)N(C(=O)CCOC)C[C@@H]1C(=O)[O-] ZINC001606850301 1018887774 /nfs/dbraw/zinc/88/77/74/1018887774.db2.gz REMGVCMZCRIZFF-WDEREUQCSA-N -1 0 316.354 -0.428 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001606852646 1018887819 /nfs/dbraw/zinc/88/78/19/1018887819.db2.gz PTIAGGGNWGOCEP-UWVGGRQHSA-N -1 0 322.383 -0.594 20 0 DBADRM COCC[C@@](C)(O)CNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001606852992 1018887925 /nfs/dbraw/zinc/88/79/25/1018887925.db2.gz YBRJZHLRIAESHB-GFCCVEGCSA-N -1 0 318.351 -0.154 20 0 DBADRM COCCOCCCNC(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001606904030 1018894379 /nfs/dbraw/zinc/89/43/79/1018894379.db2.gz YLAPOEHHACOHRT-CYBMUJFWSA-N -1 0 304.343 -0.075 20 0 DBADRM COCCOCC(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001606901391 1018894578 /nfs/dbraw/zinc/89/45/78/1018894578.db2.gz YKFHGGGIFLAXIP-ZJUUUORDSA-N -1 0 303.311 -0.486 20 0 DBADRM COCC[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606864695 1018888959 /nfs/dbraw/zinc/88/89/59/1018888959.db2.gz GOMTZKOBJDQKKE-QMMMGPOBSA-N -1 0 320.323 -0.201 20 0 DBADRM COCCCN(CCO)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001606869291 1018888981 /nfs/dbraw/zinc/88/89/81/1018888981.db2.gz CDOYZNBLXJIXRA-UHFFFAOYSA-N -1 0 307.328 -0.873 20 0 DBADRM COCC[C@@H](NC(=O)CCc1ocnc1C(=O)[O-])C(=O)OC ZINC001606858737 1018889044 /nfs/dbraw/zinc/88/90/44/1018889044.db2.gz PLONCSVUWQOHPV-MRVPVSSYSA-N -1 0 314.294 0.000 20 0 DBADRM COCCS(=O)(=O)CC(=O)NCc1cc(C(=O)[O-])co1 ZINC001606919934 1018896127 /nfs/dbraw/zinc/89/61/27/1018896127.db2.gz MINJOHHPQMYTOM-UHFFFAOYSA-N -1 0 305.308 -0.345 20 0 DBADRM COCC[C@@H](CO)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001606855925 1018889227 /nfs/dbraw/zinc/88/92/27/1018889227.db2.gz LGFNIOVITQZYDC-ZETCQYMHSA-N -1 0 307.328 -0.908 20 0 DBADRM COCC[C@@]1(NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCOC1 ZINC001606866414 1018889344 /nfs/dbraw/zinc/88/93/44/1018889344.db2.gz CPEBDCWHNNSPEG-LLVKDONJSA-N -1 0 319.339 -0.418 20 0 DBADRM COCCCNC(=O)[C@H](C)[N@H+]1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001606869299 1018889391 /nfs/dbraw/zinc/88/93/91/1018889391.db2.gz HUVZHUSCBVTENQ-AXFHLTTASA-N -1 0 316.354 -0.667 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001606855520 1018889646 /nfs/dbraw/zinc/88/96/46/1018889646.db2.gz HVGOCHXBEHGVQX-VGMNWLOBSA-N -1 0 310.372 -0.691 20 0 DBADRM COCC[C@H](NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC001606855420 1018889691 /nfs/dbraw/zinc/88/96/91/1018889691.db2.gz VRMUCCMNJPGVGJ-ZJUUUORDSA-N -1 0 319.379 -0.193 20 0 DBADRM COCCCS(=O)(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001606878351 1018890176 /nfs/dbraw/zinc/89/01/76/1018890176.db2.gz JILCAPYYIMQFEJ-VHSXEESVSA-N -1 0 323.367 -0.309 20 0 DBADRM COCCCOC1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001606871253 1018890301 /nfs/dbraw/zinc/89/03/01/1018890301.db2.gz GEJBNOTZXNBZPQ-UHFFFAOYSA-N -1 0 319.339 -0.466 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001606878941 1018890528 /nfs/dbraw/zinc/89/05/28/1018890528.db2.gz YMSIVKWTBXQQNF-NXEZZACHSA-N -1 0 322.383 -0.736 20 0 DBADRM COCCCOCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001606871228 1018890948 /nfs/dbraw/zinc/89/09/48/1018890948.db2.gz FLIZYIMWNZZPFH-QWRGUYRKSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCCS(=O)(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001606878349 1018891026 /nfs/dbraw/zinc/89/10/26/1018891026.db2.gz JILCAPYYIMQFEJ-NXEZZACHSA-N -1 0 323.367 -0.309 20 0 DBADRM COCCCNC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001606869985 1018891034 /nfs/dbraw/zinc/89/10/34/1018891034.db2.gz QPFDQZXFOHSKLQ-NSHDSACASA-N -1 0 315.370 -0.854 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)/C=C\CN1CCOCC1 ZINC001606885177 1018892075 /nfs/dbraw/zinc/89/20/75/1018892075.db2.gz XXXIJESOIGJEIA-IHWYPQMZSA-N -1 0 300.355 -0.176 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC001606887028 1018892315 /nfs/dbraw/zinc/89/23/15/1018892315.db2.gz DCEBOUFVWRYIRC-VHSXEESVSA-N -1 0 303.311 -0.343 20 0 DBADRM COCCN1CN([C@@H]2CCCN(CCC(=O)[O-])C2=O)CC1=O ZINC001606894770 1018892769 /nfs/dbraw/zinc/89/27/69/1018892769.db2.gz HMOROZPFNZIRGH-LLVKDONJSA-N -1 0 313.354 -0.800 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)/C=C/CN1CCOCC1 ZINC001606885178 1018892935 /nfs/dbraw/zinc/89/29/35/1018892935.db2.gz XXXIJESOIGJEIA-NSCUHMNNSA-N -1 0 300.355 -0.176 20 0 DBADRM COCCNc1nc(CC(=O)N[C@H](CO)C(=O)[O-])cs1 ZINC001606898257 1018893416 /nfs/dbraw/zinc/89/34/16/1018893416.db2.gz CZKBOPGFMVJGRU-MRVPVSSYSA-N -1 0 303.340 -0.694 20 0 DBADRM COCCN1CCN(C(=O)c2ccoc2CC(=O)[O-])CC1=O ZINC001606895136 1018893446 /nfs/dbraw/zinc/89/34/46/1018893446.db2.gz KOBXZTRXVUIOLU-UHFFFAOYSA-N -1 0 310.306 -0.163 20 0 DBADRM COCCOCC(=O)N1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001606900393 1018893565 /nfs/dbraw/zinc/89/35/65/1018893565.db2.gz HUJFOIVPWXADOV-UHFFFAOYSA-N -1 0 324.337 -0.514 20 0 DBADRM COCCOC1CN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001606901447 1018893692 /nfs/dbraw/zinc/89/36/92/1018893692.db2.gz YUVFRLAEBOMUBL-UHFFFAOYSA-N -1 0 310.306 -0.580 20 0 DBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)NC[C@H](F)C(=O)[O-] ZINC001606900535 1018894247 /nfs/dbraw/zinc/89/42/47/1018894247.db2.gz JSYGUUNZHKCSNV-LPEHRKFASA-N -1 0 308.306 -0.471 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001606904075 1018894428 /nfs/dbraw/zinc/89/44/28/1018894428.db2.gz YXYVZECTLVIFBV-WDEREUQCSA-N -1 0 316.354 -0.380 20 0 DBADRM COCCOC[C@@H](C)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001606903589 1018894520 /nfs/dbraw/zinc/89/45/20/1018894520.db2.gz PCYGLPVBAGRXAX-SECBINFHSA-N -1 0 315.330 -0.673 20 0 DBADRM COCCOCCN(CCO)C(=O)c1ccnc(C(=O)[O-])c1 ZINC001606904557 1018895542 /nfs/dbraw/zinc/89/55/42/1018895542.db2.gz OHYPTZRLBCYYJP-UHFFFAOYSA-N -1 0 312.322 -0.123 20 0 DBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001606937134 1018896614 /nfs/dbraw/zinc/89/66/14/1018896614.db2.gz MYBHLFSEHWORDM-LURJTMIESA-N -1 0 322.364 -0.433 20 0 DBADRM COCCn1cc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c(C)n1 ZINC001606929269 1018896708 /nfs/dbraw/zinc/89/67/08/1018896708.db2.gz KPEGBMGCDCEGPC-WDEREUQCSA-N -1 0 311.338 -0.254 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)NCC1(C(=O)[O-])CC1)C2 ZINC001606934091 1018896745 /nfs/dbraw/zinc/89/67/45/1018896745.db2.gz YXOVDJILWJIIMZ-UHFFFAOYSA-N -1 0 323.353 -0.143 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001606937172 1018896999 /nfs/dbraw/zinc/89/69/99/1018896999.db2.gz OSZYIINMFZSCOK-NWDGAFQWSA-N -1 0 322.317 -0.069 20 0 DBADRM COC[C@@H](C(N)=O)N(C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001606936747 1018897392 /nfs/dbraw/zinc/89/73/92/1018897392.db2.gz BAWUXIAENXUGRT-NSHDSACASA-N -1 0 309.322 -0.245 20 0 DBADRM COCCn1cc(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)ccc1=O ZINC001606929375 1018897487 /nfs/dbraw/zinc/89/74/87/1018897487.db2.gz PGWIBXZQJMGPQB-JQWIXIFHSA-N -1 0 324.333 -0.191 20 0 DBADRM COCCn1ccc(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001606932466 1018897529 /nfs/dbraw/zinc/89/75/29/1018897529.db2.gz AYCYPZAGRYOZBY-UWVGGRQHSA-N -1 0 312.326 -0.171 20 0 DBADRM O=C(Nc1c[nH]nc1-c1nnn[n-]1)C1CCS(=O)(=O)CC1 ZINC001606945480 1018898295 /nfs/dbraw/zinc/89/82/95/1018898295.db2.gz GHODTOHKCCAXKI-UHFFFAOYSA-N -1 0 311.327 -0.647 20 0 DBADRM COCc1cc(CNC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)no1 ZINC001606942149 1018898367 /nfs/dbraw/zinc/89/83/67/1018898367.db2.gz SJWFEOABNGONIE-CMPLNLGQSA-N -1 0 318.351 -0.202 20 0 DBADRM O=C(Nc1c[nH]nc1-c1nnn[n-]1)c1cn(-c2cccnc2)nn1 ZINC001606946091 1018898583 /nfs/dbraw/zinc/89/85/83/1018898583.db2.gz UGOLKVANDFNARH-UHFFFAOYSA-N -1 0 323.280 -0.182 20 0 DBADRM COCc1ccc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])cc1 ZINC001606963760 1018898686 /nfs/dbraw/zinc/89/86/86/1018898686.db2.gz VODZSTYAAANSTP-LBPRGKRZSA-N -1 0 303.336 -0.053 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001606939324 1018898938 /nfs/dbraw/zinc/89/89/38/1018898938.db2.gz WXMXSFMRXDBXGY-SECBINFHSA-N -1 0 303.336 -0.021 20 0 DBADRM COC[C@H](O)CNC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001606939229 1018898978 /nfs/dbraw/zinc/89/89/78/1018898978.db2.gz SBJIYRQFXMISMY-GFCCVEGCSA-N -1 0 324.333 -0.234 20 0 DBADRM O=C(Nc1c[nH]nc1-c1nnn[n-]1)[C@@H]1CCCCS1(=O)=O ZINC001606946131 1018899443 /nfs/dbraw/zinc/89/94/43/1018899443.db2.gz WAQCDGCTOYGRRM-ZETCQYMHSA-N -1 0 311.327 -0.504 20 0 DBADRM CON(C(=O)Cn1nc2n(c1=O)CCCC2)[C@H](C)CC(=O)[O-] ZINC001606987512 1018899917 /nfs/dbraw/zinc/89/99/17/1018899917.db2.gz SJNMLJKFEJOBLS-SECBINFHSA-N -1 0 312.326 -0.366 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001606989944 1018900116 /nfs/dbraw/zinc/90/01/16/1018900116.db2.gz IWHSDNAAJLNYDH-SSDOTTSWSA-N -1 0 324.293 -0.757 20 0 DBADRM CON(C)C(=O)CNC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001606990397 1018900525 /nfs/dbraw/zinc/90/05/25/1018900525.db2.gz YRFJDQNNLBWWMH-UHFFFAOYSA-N -1 0 313.314 -0.156 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001606990344 1018901447 /nfs/dbraw/zinc/90/14/47/1018901447.db2.gz WIWAKEQGASYHMR-DTWKUNHWSA-N -1 0 319.383 -0.146 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])CC2 ZINC001606978114 1018901306 /nfs/dbraw/zinc/90/13/06/1018901306.db2.gz PQRHDIRGIUENJH-BBBLOLIVSA-N -1 0 308.338 -0.034 20 0 DBADRM COCc1n[nH]c(CNC(=O)Nc2ccn(CC(=O)[O-])n2)n1 ZINC001606981237 1018901330 /nfs/dbraw/zinc/90/13/30/1018901330.db2.gz JONSLNKTROOUKM-UHFFFAOYSA-N -1 0 309.286 -0.446 20 0 DBADRM CON(C)C(=O)[C@@H](C)NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001606989754 1018901402 /nfs/dbraw/zinc/90/14/02/1018901402.db2.gz DZJHOVPWVIDKTA-SSDOTTSWSA-N -1 0 320.323 -0.027 20 0 DBADRM COCc1nnc2n1CCN(C(=O)NC[C@H](F)C(=O)[O-])C2 ZINC001606981986 1018902687 /nfs/dbraw/zinc/90/26/87/1018902687.db2.gz SLECYWUFXVPGRD-ZETCQYMHSA-N -1 0 301.278 -0.628 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001607000133 1018903292 /nfs/dbraw/zinc/90/32/92/1018903292.db2.gz UWTUTVKQVZVGPN-HBNTYKKESA-N -1 0 302.327 -0.733 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001606999264 1018904840 /nfs/dbraw/zinc/90/48/40/1018904840.db2.gz RDEZJSHUDDENLU-IJLUTSLNSA-N -1 0 316.354 -0.343 20 0 DBADRM CO[C@H](C)Cn1nnnc1N1C[C@@H]2COCC[C@]2(C(=O)[O-])C1 ZINC001607002298 1018904909 /nfs/dbraw/zinc/90/49/09/1018904909.db2.gz DUHAERXZMGARGK-BREBYQMCSA-N -1 0 311.342 -0.365 20 0 DBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001607000070 1018905785 /nfs/dbraw/zinc/90/57/85/1018905785.db2.gz QZQGMRVWOIYLKQ-NXEZZACHSA-N -1 0 308.356 -0.969 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001606999265 1018906004 /nfs/dbraw/zinc/90/60/04/1018906004.db2.gz RDEZJSHUDDENLU-UTUOFQBUSA-N -1 0 316.354 -0.343 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001606999658 1018906518 /nfs/dbraw/zinc/90/65/18/1018906518.db2.gz BFNANQTXVTWDAF-GIPNMCIBSA-N -1 0 313.310 -0.585 20 0 DBADRM COc1cc(=O)[nH]cc1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001607055966 1018928176 /nfs/dbraw/zinc/92/81/76/1018928176.db2.gz KLIIGXFAQCKHQV-MRVPVSSYSA-N -1 0 309.278 -0.789 20 0 DBADRM O=S(=O)(NCCn1cnnc1)c1ccc(-c2nnn[n-]2)o1 ZINC001607066739 1018934652 /nfs/dbraw/zinc/93/46/52/1018934652.db2.gz UZNSNXSVBRZKTN-UHFFFAOYSA-N -1 0 310.299 -0.970 20 0 DBADRM O=S(=O)(N[C@@H]1CCCC[C@H]1O)c1cccnc1-c1nnn[n-]1 ZINC001607067418 1018936228 /nfs/dbraw/zinc/93/62/28/1018936228.db2.gz HYXZYKAYVKZYOM-RKDXNWHRSA-N -1 0 324.366 -0.157 20 0 DBADRM O=S(=O)(NC[C@H]1CC[C@H](O)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001607061435 1018937958 /nfs/dbraw/zinc/93/79/58/1018937958.db2.gz GFWSRVNWOQABKH-YUMQZZPRSA-N -1 0 313.339 -0.101 20 0 DBADRM COc1cc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])ccc1O ZINC001607074266 1018944261 /nfs/dbraw/zinc/94/42/61/1018944261.db2.gz WGDDNKDBXFJHQZ-SECBINFHSA-N -1 0 306.278 -0.125 20 0 DBADRM O=S1(=O)CCC[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001607073485 1018946049 /nfs/dbraw/zinc/94/60/49/1018946049.db2.gz MEWCONQPTJPARB-MRVPVSSYSA-N -1 0 309.355 -0.685 20 0 DBADRM COc1cc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)ncn1 ZINC001607068448 1018946492 /nfs/dbraw/zinc/94/64/92/1018946492.db2.gz WFKOWPMBLOYONL-ZDUSSCGKSA-N -1 0 306.278 -0.069 20 0 DBADRM O=S1(=O)C[C@@H]2CCN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001607074938 1018951331 /nfs/dbraw/zinc/95/13/31/1018951331.db2.gz RCDBTWDDAOOACK-IUCAKERBSA-N -1 0 321.366 -0.472 20 0 DBADRM O=c1cc(Cn2cnc(-c3nnn[n-]3)cc2=O)nc(C2CC2)[nH]1 ZINC001607091091 1018958369 /nfs/dbraw/zinc/95/83/69/1018958369.db2.gz GUVRSHUYMIKHMG-UHFFFAOYSA-N -1 0 312.293 -0.155 20 0 DBADRM O=c1c(-c2nnn[n-]2)ccc(C(F)(F)F)n1C[C@@H](O)CO ZINC001607092135 1018960629 /nfs/dbraw/zinc/96/06/29/1018960629.db2.gz OZADRXSZTWQJAU-RXMQYKEDSA-N -1 0 305.216 -0.600 20 0 DBADRM c1cc(N[C@@H]2CCOC23CCOCC3)nc(-c2nnn[n-]2)n1 ZINC001607119984 1018975709 /nfs/dbraw/zinc/97/57/09/1018975709.db2.gz OYXIXGQXRMBKDF-SECBINFHSA-N -1 0 303.326 -0.171 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CC(=O)N(C)C1 ZINC001607121497 1018978070 /nfs/dbraw/zinc/97/80/70/1018978070.db2.gz OJEUGISGJUHMBF-UHFFFAOYSA-N -1 0 321.289 -0.410 20 0 DBADRM COc1ccc([C@H](NCC(=O)N2CCOCC2)C(=O)[O-])cc1O ZINC001607231550 1018980656 /nfs/dbraw/zinc/98/06/56/1018980656.db2.gz MIZNGOTXNQMHKS-AWEZNQCLSA-N -1 0 324.333 -0.025 20 0 DBADRM COc1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1S(C)(=O)=O ZINC001607205318 1018980961 /nfs/dbraw/zinc/98/09/61/1018980961.db2.gz FJFMSJRADXQDHW-QMMMGPOBSA-N -1 0 317.319 -0.726 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)[nH]n1 ZINC001607171358 1018981077 /nfs/dbraw/zinc/98/10/77/1018981077.db2.gz OGOYJTIJJKUMRA-LBPRGKRZSA-N -1 0 312.282 -0.941 20 0 DBADRM COc1ccc(C(=O)N[C@H](CO)C(=O)[O-])cc1N1CCNC1=O ZINC001607205570 1018981208 /nfs/dbraw/zinc/98/12/08/1018981208.db2.gz LMJAUMVPODKBKR-SECBINFHSA-N -1 0 323.305 -0.600 20 0 DBADRM COc1cc(OC)nc(C(=O)N2CCC(O)(C(=O)[O-])CC2)n1 ZINC001607185755 1018981315 /nfs/dbraw/zinc/98/13/15/1018981315.db2.gz CRLHLYZTLOQSDD-UHFFFAOYSA-N -1 0 311.294 -0.455 20 0 DBADRM COc1cc(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)ccn1 ZINC001607164186 1018981783 /nfs/dbraw/zinc/98/17/83/1018981783.db2.gz JNBAYWNALIVPBR-UHFFFAOYSA-N -1 0 312.307 -0.010 20 0 DBADRM COc1ccc2c(c1)C[C@@H](C(=O)NCC(=O)NCC(=O)[O-])CO2 ZINC001607293270 1018982677 /nfs/dbraw/zinc/98/26/77/1018982677.db2.gz CNYWWJVZQYSHIG-SNVBAGLBSA-N -1 0 322.317 -0.437 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)c(C(=O)[O-])c1 ZINC001607289674 1018982883 /nfs/dbraw/zinc/98/28/83/1018982883.db2.gz HLHLVMUQZZTZLP-ZJUUUORDSA-N -1 0 317.319 -0.569 20 0 DBADRM COc1cccc([C@@H](OC(=O)Cn2ncn(C)c2=O)C(=O)[O-])c1 ZINC001607314813 1018983953 /nfs/dbraw/zinc/98/39/53/1018983953.db2.gz GBLHHGZRPISINB-GFCCVEGCSA-N -1 0 321.289 -0.041 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC001607277492 1018984287 /nfs/dbraw/zinc/98/42/87/1018984287.db2.gz DBRPWARQFBPJMZ-GFCCVEGCSA-N -1 0 317.319 -0.077 20 0 DBADRM COc1cccc(C2=NO[C@@H](C(=O)N[C@H](CO)C(=O)[O-])C2)c1 ZINC001607315224 1018984438 /nfs/dbraw/zinc/98/44/38/1018984438.db2.gz BCOVWFWMJGNQBM-VXGBXAGGSA-N -1 0 308.290 -0.250 20 0 DBADRM COc1ccc(CN2CC[C@H]2C(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC001607253817 1018985521 /nfs/dbraw/zinc/98/55/21/1018985521.db2.gz LTXPSWRDMSHTHN-STQMWFEESA-N -1 0 308.334 -0.169 20 0 DBADRM COc1cccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1OC ZINC001607329311 1018986624 /nfs/dbraw/zinc/98/66/24/1018986624.db2.gz QICLSAVAJLTMHM-ZETCQYMHSA-N -1 0 305.308 -0.572 20 0 DBADRM COc1nc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)co1 ZINC001607354595 1018987004 /nfs/dbraw/zinc/98/70/04/1018987004.db2.gz BZKCVYFTHBRQQB-BDAKNGLRSA-N -1 0 323.305 -0.312 20 0 DBADRM CS(=O)(=O)CCN1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001607370921 1018994568 /nfs/dbraw/zinc/99/45/68/1018994568.db2.gz WUJNGWGYUDRORA-YUMQZZPRSA-N -1 0 304.324 -0.842 20 0 DBADRM COc1cncc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1C ZINC001607353260 1018987195 /nfs/dbraw/zinc/98/71/95/1018987195.db2.gz MRHYYPKOWGRGOW-SNVBAGLBSA-N -1 0 307.306 -0.186 20 0 DBADRM COc1nc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)co1 ZINC001607354597 1018987965 /nfs/dbraw/zinc/98/79/65/1018987965.db2.gz BZKCVYFTHBRQQB-DTWKUNHWSA-N -1 0 323.305 -0.312 20 0 DBADRM COc1nc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)co1 ZINC001607354844 1018988247 /nfs/dbraw/zinc/98/82/47/1018988247.db2.gz FLAXUVBZZXGKOL-BDAKNGLRSA-N -1 0 323.305 -0.408 20 0 DBADRM COc1cncc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC001607353847 1018988415 /nfs/dbraw/zinc/98/84/15/1018988415.db2.gz CTPMRHUEDWWVLY-NSHDSACASA-N -1 0 300.336 -0.226 20 0 DBADRM COc1ncc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])s1 ZINC001607361666 1018989590 /nfs/dbraw/zinc/98/95/90/1018989590.db2.gz ZELXSKHDLHFCAD-XPUUQOCRSA-N -1 0 322.364 -0.250 20 0 DBADRM COc1ncc(/C=C/C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cn1 ZINC001607359805 1018991646 /nfs/dbraw/zinc/99/16/46/1018991646.db2.gz OLDJZRPEOVYINU-VMZHVLLKSA-N -1 0 320.305 -0.700 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001607361896 1018991751 /nfs/dbraw/zinc/99/17/51/1018991751.db2.gz VLRZOFVKQWIZBE-OCAPTIKFSA-N -1 0 308.294 -0.255 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)CCCCCC(=O)[O-] ZINC001607370811 1018992827 /nfs/dbraw/zinc/99/28/27/1018992827.db2.gz SVLCKLHKDRJXNK-UHFFFAOYSA-N -1 0 301.386 -0.405 20 0 DBADRM CS(=O)(=O)CCNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001607370298 1018993199 /nfs/dbraw/zinc/99/31/99/1018993199.db2.gz JEYIJBTULJNEJT-UHFFFAOYSA-N -1 0 320.348 -0.454 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)Nc2ccc(C(=O)[O-])nn2)CC1 ZINC001607366943 1018993332 /nfs/dbraw/zinc/99/33/32/1018993332.db2.gz PKQBNGCDBJTYFG-UHFFFAOYSA-N -1 0 314.323 -0.127 20 0 DBADRM CS(=O)(=O)CCCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001607368882 1018993645 /nfs/dbraw/zinc/99/36/45/1018993645.db2.gz WSHGJISZDYWLBO-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM CS(=O)(=O)CC(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001607367200 1018994359 /nfs/dbraw/zinc/99/43/59/1018994359.db2.gz SNZRLZATOSSNCP-UHFFFAOYSA-N -1 0 321.351 -0.522 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001607371938 1018995572 /nfs/dbraw/zinc/99/55/72/1018995572.db2.gz LSBRDNMRODZINV-BXKDBHETSA-N -1 0 320.367 -0.982 20 0 DBADRM CS[C@H](C)CNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001607391106 1019001101 /nfs/dbraw/zinc/00/11/01/1019001101.db2.gz ZBFZRCGLZGJHQT-HLTSFMKQSA-N -1 0 304.368 -0.445 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(c2cc(C(=O)[O-])ncn2)C1 ZINC001607374299 1018996135 /nfs/dbraw/zinc/99/61/35/1018996135.db2.gz SGNFRRNLUYFSFL-QMMMGPOBSA-N -1 0 300.340 -0.450 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001607372362 1018997054 /nfs/dbraw/zinc/99/70/54/1018997054.db2.gz ZWBJLLMJPHRUQM-AOOOYVTPSA-N -1 0 304.368 -0.409 20 0 DBADRM CS(=O)(=O)NC1CN(Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC001607374898 1018997563 /nfs/dbraw/zinc/99/75/63/1018997563.db2.gz LOMVNKPSYAGJKL-UHFFFAOYSA-N -1 0 314.363 -0.117 20 0 DBADRM CS(=O)(=O)c1nccn1Cc1noc(CCC(=O)[O-])n1 ZINC001607383241 1018998543 /nfs/dbraw/zinc/99/85/43/1018998543.db2.gz QULPGCBORDOHIO-UHFFFAOYSA-N -1 0 300.296 -0.265 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001502105577 1018998995 /nfs/dbraw/zinc/99/89/95/1018998995.db2.gz UJDRHCUHKPHCRG-MWLCHTKSSA-N -1 0 324.385 -0.494 20 0 DBADRM CS(=O)(=O)c1nnc(CN[C@@]2(CC(=O)[O-])CCOC2)s1 ZINC001607383155 1018998972 /nfs/dbraw/zinc/99/89/72/1018998972.db2.gz LUDIQPPSWWFROW-SNVBAGLBSA-N -1 0 321.380 -0.335 20 0 DBADRM C[S@](=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC001607383969 1018999049 /nfs/dbraw/zinc/99/90/49/1018999049.db2.gz LRAVRPGVRRRYLO-XFNZEKPQSA-N -1 0 324.358 -0.161 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC001607375391 1018999420 /nfs/dbraw/zinc/99/94/20/1018999420.db2.gz UHZJDZASBBMYEN-MRVPVSSYSA-N -1 0 300.340 -0.702 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001607384563 1018999632 /nfs/dbraw/zinc/99/96/32/1018999632.db2.gz HKNYGZHAGSXMJL-HMVNSEHLSA-N -1 0 316.379 -0.806 20 0 DBADRM CS[C@@H](CO)[C@H](C)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001607390327 1019001945 /nfs/dbraw/zinc/00/19/45/1019001945.db2.gz SSZNZFFPTYVYFU-CBAPKCEASA-N -1 0 317.371 -0.612 20 0 DBADRM CS[C@@H](CO)[C@@H](C)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001607390559 1019002446 /nfs/dbraw/zinc/00/24/46/1019002446.db2.gz VYWNIARTDOVQOW-DOLQZWNJSA-N -1 0 306.384 -0.112 20 0 DBADRM CSCCCNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001607396430 1019003266 /nfs/dbraw/zinc/00/32/66/1019003266.db2.gz DQWHLOTWQAFEJB-BDAKNGLRSA-N -1 0 304.368 -0.444 20 0 DBADRM CSC[C@](C)(O)CNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001607392691 1019003315 /nfs/dbraw/zinc/00/33/15/1019003315.db2.gz IOGCAORABHNULB-LLVKDONJSA-N -1 0 317.371 -0.611 20 0 DBADRM C[C@@H](CO)N(C)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001607418823 1019003701 /nfs/dbraw/zinc/00/37/01/1019003701.db2.gz LWTXYHULPUYPTF-VIFPVBQESA-N -1 0 310.306 -0.072 20 0 DBADRM CSCCn1nnnc1N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001607399380 1019004013 /nfs/dbraw/zinc/00/40/13/1019004013.db2.gz GZQCIZVISJMBEX-SECBINFHSA-N -1 0 301.372 -0.302 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)CO[C@@H]1CCOC1 ZINC001607418861 1019004185 /nfs/dbraw/zinc/00/41/85/1019004185.db2.gz NEUXLYDGKQHSKS-GXSJLCMTSA-N -1 0 324.337 -0.103 20 0 DBADRM C[C@@H](O)CN(C)C(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001607424096 1019004219 /nfs/dbraw/zinc/00/42/19/1019004219.db2.gz FUYHUIBMCYNGML-SSDOTTSWSA-N -1 0 324.289 -0.109 20 0 DBADRM CSCc1noc(CCC(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)n1 ZINC001607401125 1019004676 /nfs/dbraw/zinc/00/46/76/1019004676.db2.gz VSOKCTKGVUECCU-OGXFKERWSA-N -1 0 315.351 -0.041 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)CN1CCCC1=O ZINC001607418809 1019005034 /nfs/dbraw/zinc/00/50/34/1019005034.db2.gz KYMUKIASYVPSAC-VIFPVBQESA-N -1 0 321.337 -0.286 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC001607424904 1019008146 /nfs/dbraw/zinc/00/81/46/1019008146.db2.gz SDACAMTUEVGPTF-MUWHJKNJSA-N -1 0 302.308 -0.951 20 0 DBADRM C[C@@H](O)Cc1nnc(N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n1C ZINC001607423848 1019005997 /nfs/dbraw/zinc/00/59/97/1019005997.db2.gz GPCMZYPFCGKCGU-ISTVAULSSA-N -1 0 310.354 -0.334 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)Cc1noc2c1CCCC2)C(=O)[O-] ZINC001607425722 1019006260 /nfs/dbraw/zinc/00/62/60/1019006260.db2.gz UZNFSXAMOLPZJS-HQJQHLMTSA-N -1 0 318.351 -0.193 20 0 DBADRM C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001607427218 1019006320 /nfs/dbraw/zinc/00/63/20/1019006320.db2.gz BJPDSHDKZAMOOY-BDAKNGLRSA-N -1 0 321.337 -0.879 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]23CCOC3)C[C@H]1CC(=O)[O-] ZINC001607428796 1019006523 /nfs/dbraw/zinc/00/65/23/1019006523.db2.gz NQRZDYTUYIBWAF-HFAKWTLXSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC001607424864 1019007455 /nfs/dbraw/zinc/00/74/55/1019007455.db2.gz PXJVSGVRECKNPI-LDWIPMOCSA-N -1 0 319.310 -0.207 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001607424245 1019007493 /nfs/dbraw/zinc/00/74/93/1019007493.db2.gz PGYNVXSISSQDAC-MRTMQBJTSA-N -1 0 320.342 -0.788 20 0 DBADRM C[C@@H]1CN(C(=O)NCC(C)(C)C(=O)[O-])CCN1S(C)(=O)=O ZINC001607432334 1019008719 /nfs/dbraw/zinc/00/87/19/1019008719.db2.gz UGTSGTALICAVTD-SECBINFHSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@@H](C(=O)[O-])O1 ZINC001607436555 1019009071 /nfs/dbraw/zinc/00/90/71/1019009071.db2.gz CZZYGLOTTLJCKH-SVRRBLITSA-N -1 0 318.307 -0.759 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)C[C@H]1C(=O)[O-] ZINC001607430334 1019009210 /nfs/dbraw/zinc/00/92/10/1019009210.db2.gz YRJBLDHFOYNODC-KXNHARMFSA-N -1 0 320.349 -0.405 20 0 DBADRM C[C@@H]1CN(C(=O)C2(n3cnnn3)CCOCC2)C[C@H]1CC(=O)[O-] ZINC001607430044 1019009264 /nfs/dbraw/zinc/00/92/64/1019009264.db2.gz LVLMANVCNVBWJW-GHMZBOCLSA-N -1 0 323.353 -0.252 20 0 DBADRM C[C@@H]1CN(CC(=O)Nc2ccccc2C(N)=O)C[C@@H](C(=O)[O-])O1 ZINC001607437514 1019009376 /nfs/dbraw/zinc/00/93/76/1019009376.db2.gz UOULBJLVJZNAGL-SKDRFNHKSA-N -1 0 321.333 -0.102 20 0 DBADRM C[C@@H]1CN(C(=O)c2cccnc2OCCO)C[C@@H](C(=O)[O-])O1 ZINC001607436277 1019010691 /nfs/dbraw/zinc/01/06/91/1019010691.db2.gz OQNGCRPXQZWIFE-KOLCDFICSA-N -1 0 310.306 -0.233 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])o2)C[C@H]1CS(N)(=O)=O ZINC001607435539 1019010949 /nfs/dbraw/zinc/01/09/49/1019010949.db2.gz NMPPWDXKVAEOQI-SFYZADRCSA-N -1 0 316.335 -0.026 20 0 DBADRM C[C@@H]1CN(c2nnnn2CC[C@H]2CC(=O)N(C)C2)C[C@H]1C(=O)[O-] ZINC001607440111 1019011627 /nfs/dbraw/zinc/01/16/27/1019011627.db2.gz CUEARIQWDXNHBL-OUAUKWLOSA-N -1 0 322.369 -0.302 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCOCCS(C)(=O)=O)O[C@H]1C(=O)[O-] ZINC001607442450 1019013008 /nfs/dbraw/zinc/01/30/08/1019013008.db2.gz BANWJWNFBJGUSU-OPRDCNLKSA-N -1 0 323.367 -0.958 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)O[C@H]1C(=O)[O-] ZINC001607439725 1019013586 /nfs/dbraw/zinc/01/35/86/1019013586.db2.gz MAYAFFAPSCGQMA-UYNYGYNWSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1cnccn1 ZINC001607454734 1019014799 /nfs/dbraw/zinc/01/47/99/1019014799.db2.gz WZJSKDWIFCNTMJ-VHSXEESVSA-N -1 0 306.322 -0.023 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cc2ncccn2n1)C(=O)[O-] ZINC001607458663 1019014931 /nfs/dbraw/zinc/01/49/31/1019014931.db2.gz PKHDLBGTOGSPKS-YUMQZZPRSA-N -1 0 305.294 -0.563 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1cccc(=O)[nH]1 ZINC001607453453 1019015388 /nfs/dbraw/zinc/01/53/88/1019015388.db2.gz DWUKFWPJUZCRDG-MRVPVSSYSA-N -1 0 317.305 -0.072 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)CCCn1ccccc1=O)C(=O)[O-] ZINC001607457896 1019015693 /nfs/dbraw/zinc/01/56/93/1019015693.db2.gz BBAGPRVGCRTGDH-QWRGUYRKSA-N -1 0 323.349 -0.278 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)Nc1cc(N(C)C)ncn1)C(=O)[O-] ZINC001607458852 1019015816 /nfs/dbraw/zinc/01/58/16/1019015816.db2.gz QTLVPUWJAUNWIH-YUMQZZPRSA-N -1 0 324.341 -0.358 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)Cc1cnn2ccccc12)C(=O)[O-] ZINC001607458241 1019015832 /nfs/dbraw/zinc/01/58/32/1019015832.db2.gz IKQDEBLJUVWVAW-UWVGGRQHSA-N -1 0 318.333 -0.029 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1CCc2n[nH]cc2C1)C(=O)[O-] ZINC001607457988 1019015849 /nfs/dbraw/zinc/01/58/49/1019015849.db2.gz AYYGCQKVUQOMOC-OYNCUSHFSA-N -1 0 323.353 -0.456 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1cccnn1 ZINC001607453663 1019016676 /nfs/dbraw/zinc/01/66/76/1019016676.db2.gz JWOAQDTXAIWASS-MRVPVSSYSA-N -1 0 302.294 -0.383 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001607454140 1019016683 /nfs/dbraw/zinc/01/66/83/1019016683.db2.gz RXWIGKBMBKXXSD-SNXWAXQRSA-N -1 0 306.322 -0.016 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)CN1CCOCC1 ZINC001607453366 1019016745 /nfs/dbraw/zinc/01/67/45/1019016745.db2.gz ARQPZCDRXBCCBM-SNVBAGLBSA-N -1 0 323.353 -0.576 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCO[C@H](C(F)F)C1)C(=O)[O-] ZINC001607459209 1019017899 /nfs/dbraw/zinc/01/78/99/1019017899.db2.gz MEUNMEFEDQUDTM-FXQIFTODSA-N -1 0 323.296 -0.360 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)C[C@]1(C)C(=O)[O-] ZINC001607466316 1019018403 /nfs/dbraw/zinc/01/84/03/1019018403.db2.gz DVVRMXAHTQKHPL-HNHYXYPQSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@H](NC(N)=O)C(=O)N1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1 ZINC001607460943 1019018487 /nfs/dbraw/zinc/01/84/87/1019018487.db2.gz KEEOFOFXSNGIQR-NAKRPEOUSA-N -1 0 313.354 -0.086 20 0 DBADRM C[C@H]1C(=O)NCCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001607462962 1019018798 /nfs/dbraw/zinc/01/87/98/1019018798.db2.gz JSLGSGDLXBXDMJ-LURJTMIESA-N -1 0 302.312 -0.993 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=S)NC[C@@H]1CCCCO1)C(=O)[O-] ZINC001607459954 1019019134 /nfs/dbraw/zinc/01/91/34/1019019134.db2.gz OOMHTABFJBHIDN-GUBZILKMSA-N -1 0 317.411 -0.003 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cnc2c(cnn2C)c1)C(=O)[O-] ZINC001607459929 1019019164 /nfs/dbraw/zinc/01/91/64/1019019164.db2.gz NJPHNOKKQNEQBK-YUMQZZPRSA-N -1 0 319.321 -0.324 20 0 DBADRM C[C@H](O)CNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001607462165 1019019274 /nfs/dbraw/zinc/01/92/74/1019019274.db2.gz PIMSBIZBJJLFRI-VIFPVBQESA-N -1 0 309.322 -0.068 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCc2ccoc2)C[C@@H](C(=O)[O-])O1 ZINC001607467804 1019019636 /nfs/dbraw/zinc/01/96/36/1019019636.db2.gz KSHNYBHMTXLCMF-ONGXEEELSA-N -1 0 310.306 -0.361 20 0 DBADRM C[C@H]1CN(C(=O)NCCO[C@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001607469635 1019019653 /nfs/dbraw/zinc/01/96/53/1019019653.db2.gz TZVKIGDGSZIIOG-DCAQKATOSA-N -1 0 302.327 -0.325 20 0 DBADRM C[C@H]1CN(C(=O)NCc2ccc(C(N)=O)o2)C[C@@H](C(=O)[O-])O1 ZINC001607472676 1019019743 /nfs/dbraw/zinc/01/97/43/1019019743.db2.gz NXWNDYXQXPGAES-XVKPBYJWSA-N -1 0 311.294 -0.238 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC=CO2)C[C@@H](C(=O)[O-])O1 ZINC001607467795 1019019911 /nfs/dbraw/zinc/01/99/11/1019019911.db2.gz KAGNOTCZFQWGFT-DCAQKATOSA-N -1 0 312.322 -0.504 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@@H](C(=O)[O-])O1 ZINC001607468139 1019019978 /nfs/dbraw/zinc/01/99/78/1019019978.db2.gz GIBCKFPLSJWKPW-NGZCFLSTSA-N -1 0 322.321 -0.537 20 0 DBADRM C[C@H]1CN(C(=O)NCC2(S(C)(=O)=O)CC2)C[C@@H](C(=O)[O-])O1 ZINC001607470003 1019020381 /nfs/dbraw/zinc/02/03/81/1019020381.db2.gz JXPOFMPNPSGHOO-IUCAKERBSA-N -1 0 320.367 -0.553 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CC2(O)CCC2)C[C@]1(C)C(=O)[O-] ZINC001607467248 1019020412 /nfs/dbraw/zinc/02/04/12/1019020412.db2.gz RYCANHHNAGMMAB-HZMBPMFUSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2COCCN2CC(F)F)C[C@@H](C(=O)[O-])O1 ZINC001607468201 1019020472 /nfs/dbraw/zinc/02/04/72/1019020472.db2.gz HERUEOQLDHUUDK-GUBZILKMSA-N -1 0 322.308 -0.347 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC[C@H]1C(=O)[O-] ZINC001607470811 1019020948 /nfs/dbraw/zinc/02/09/48/1019020948.db2.gz XUHXEEZTRALPSS-ZDCRXTMVSA-N -1 0 313.354 -0.229 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CC2(F)F)C[C@@H](C(=O)[O-])O1 ZINC001607468187 1019021263 /nfs/dbraw/zinc/02/12/63/1019021263.db2.gz SFCHAFVHEPYASI-CIUDSAMLSA-N -1 0 320.292 -0.152 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001607484076 1019023484 /nfs/dbraw/zinc/02/34/84/1019023484.db2.gz SNBSBNRVPBROCR-PSASIEDQSA-N -1 0 311.294 -0.825 20 0 DBADRM Cc1c(Br)c(C(=O)NC[C@H](O)C(=O)[O-])nn1C ZINC001607502365 1019025203 /nfs/dbraw/zinc/02/52/03/1019025203.db2.gz QJASSAAYVLNWNV-YFKPBYRVSA-N -1 0 306.116 -0.334 20 0 DBADRM Cc1[nH]ccc1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001607499571 1019025309 /nfs/dbraw/zinc/02/53/09/1019025309.db2.gz OQGMBMUTARLZJD-VXGBXAGGSA-N -1 0 323.349 -0.405 20 0 DBADRM Cc1nc[nH]c1C(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001607500276 1019025329 /nfs/dbraw/zinc/02/53/29/1019025329.db2.gz ZDBYJMSGJLRNJK-SSDOTTSWSA-N -1 0 304.310 -0.141 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001607499733 1019025978 /nfs/dbraw/zinc/02/59/78/1019025978.db2.gz RHLHFMRSJCIGSB-JOYOIKCWSA-N -1 0 320.305 -0.768 20 0 DBADRM Cc1c(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cnn1C ZINC001607508175 1019027232 /nfs/dbraw/zinc/02/72/32/1019027232.db2.gz JISJFXSIOFRXCZ-NXEZZACHSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1c(C(=O)OCCCC(=O)C(=O)[O-])nnn1-c1cnn(C)c1 ZINC001607524168 1019028017 /nfs/dbraw/zinc/02/80/17/1019028017.db2.gz FQVLTHIOWUCVSK-UHFFFAOYSA-N -1 0 321.293 -0.100 20 0 DBADRM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N[C@H](CF)C(=O)[O-] ZINC001607533854 1019028287 /nfs/dbraw/zinc/02/82/87/1019028287.db2.gz JMMZRPUAEOPZNS-SECBINFHSA-N -1 0 322.289 -0.066 20 0 DBADRM Cc1c(NC(=O)C(=O)N(CCCO)C2CC2)cnn1CC(=O)[O-] ZINC001607535968 1019028350 /nfs/dbraw/zinc/02/83/50/1019028350.db2.gz YOENWAJWXAVSBD-UHFFFAOYSA-N -1 0 324.337 -0.412 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@H](O)[C@@H](C)C2)cnn1CC(=O)[O-] ZINC001607535797 1019028468 /nfs/dbraw/zinc/02/84/68/1019028468.db2.gz XJKIZHUFZBNYRV-KWQFWETISA-N -1 0 324.337 -0.556 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCn2ncnn2)cccc1C(=O)[O-] ZINC001607536211 1019028590 /nfs/dbraw/zinc/02/85/90/1019028590.db2.gz DOEATIYIIDYWGV-UHFFFAOYSA-N -1 0 318.293 -0.565 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])cccc1N(C)C ZINC001607537581 1019029463 /nfs/dbraw/zinc/02/94/63/1019029463.db2.gz VDDJBHJZZISNQG-SNVBAGLBSA-N -1 0 323.349 -0.049 20 0 DBADRM Cc1c(CNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)cnn1C ZINC001607527900 1019029794 /nfs/dbraw/zinc/02/97/94/1019029794.db2.gz LIKVSKNTCRPRHC-UHFFFAOYSA-N -1 0 320.309 -0.585 20 0 DBADRM Cc1cc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)ncn1 ZINC001607572260 1019030833 /nfs/dbraw/zinc/03/08/33/1019030833.db2.gz ZSZWBFWIJMUAIQ-HNNXBMFYSA-N -1 0 320.349 -0.213 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](O)CS(C)(=O)=O)oc1C(=O)[O-] ZINC001607578120 1019031541 /nfs/dbraw/zinc/03/15/41/1019031541.db2.gz MASAEOCJQWENKZ-SSDOTTSWSA-N -1 0 305.308 -0.578 20 0 DBADRM Cc1cc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c(C)n1NC(N)=O ZINC001607569795 1019031876 /nfs/dbraw/zinc/03/18/76/1019031876.db2.gz QMHBVRFHSLHAIC-UWVGGRQHSA-N -1 0 324.337 -0.365 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001607581487 1019031921 /nfs/dbraw/zinc/03/19/21/1019031921.db2.gz OWYSIIVIRRXXQL-UTINFBMNSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1cc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n(C)n1 ZINC001607570057 1019032211 /nfs/dbraw/zinc/03/22/11/1019032211.db2.gz XKONHARLNALDRW-QWRGUYRKSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cc(C(=O)[O-])nc(NCC2(O)CCS(=O)(=O)CC2)n1 ZINC001607599973 1019033302 /nfs/dbraw/zinc/03/33/02/1019033302.db2.gz BQBANXGBOZMXKR-UHFFFAOYSA-N -1 0 315.351 -0.165 20 0 DBADRM Cc1cc(CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n(C)n1 ZINC001607635975 1019033935 /nfs/dbraw/zinc/03/39/35/1019033935.db2.gz JGJGLGQHPQHQLD-VXGBXAGGSA-N -1 0 320.349 -0.681 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)c(=O)n1 ZINC001607629637 1019034181 /nfs/dbraw/zinc/03/41/81/1019034181.db2.gz GIZQZGYSZLITAE-LLVKDONJSA-N -1 0 309.322 -0.438 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1C[C@@H](O)C[C@H]1CO ZINC001607595414 1019034294 /nfs/dbraw/zinc/03/42/94/1019034294.db2.gz JTMZTQWYYGPXPM-QWRGUYRKSA-N -1 0 322.317 -0.414 20 0 DBADRM Cc1cc(CC(=O)N2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001607635543 1019034998 /nfs/dbraw/zinc/03/49/98/1019034998.db2.gz BPLSFERVJODAKY-RYUDHWBXSA-N -1 0 320.349 -0.444 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)N(CCO)CCOCCO ZINC001607602054 1019035045 /nfs/dbraw/zinc/03/50/45/1019035045.db2.gz LMFTZUJCICONCL-UHFFFAOYSA-N -1 0 301.295 -0.270 20 0 DBADRM Cc1cc(CNC(=O)CN2CCN(C)C(=O)C2)oc1C(=O)[O-] ZINC001607643686 1019035137 /nfs/dbraw/zinc/03/51/37/1019035137.db2.gz RENMMTIZMYCFKU-UHFFFAOYSA-N -1 0 309.322 -0.324 20 0 DBADRM Cc1cc(F)c(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1C(=O)[O-] ZINC001607662285 1019036462 /nfs/dbraw/zinc/03/64/62/1019036462.db2.gz ZTOMFWGPTUBURG-NXEZZACHSA-N -1 0 319.310 -0.130 20 0 DBADRM Cc1cc(COCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])on1 ZINC001607651602 1019036583 /nfs/dbraw/zinc/03/65/83/1019036583.db2.gz YGQLUUHKSUGRBN-SNVBAGLBSA-N -1 0 311.294 -0.699 20 0 DBADRM Cc1cc(NC(=O)[C@@H]2CCN(C)S2(=O)=O)c(C(=O)[O-])[nH]1 ZINC001607675946 1019037474 /nfs/dbraw/zinc/03/74/74/1019037474.db2.gz APNBZQKYDAWODW-QMMMGPOBSA-N -1 0 301.324 -0.006 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H](CO)CCF)c(C(=O)[O-])[nH]1 ZINC001607671160 1019037666 /nfs/dbraw/zinc/03/76/66/1019037666.db2.gz XEJOPBICROOVKX-ZETCQYMHSA-N -1 0 301.274 -0.203 20 0 DBADRM Cc1cc(NCCNC(=O)Cn2cc(C(=O)[O-])cn2)n(C)n1 ZINC001607694963 1019038192 /nfs/dbraw/zinc/03/81/92/1019038192.db2.gz SEBZQCSXCQAFSL-UHFFFAOYSA-N -1 0 306.326 -0.148 20 0 DBADRM Cc1cc(NC(=O)N2CC(O)(C(=O)[O-])C2)ccc1-n1cnnn1 ZINC001607681418 1019038358 /nfs/dbraw/zinc/03/83/58/1019038358.db2.gz YUNAJMJJHFYOGA-UHFFFAOYSA-N -1 0 318.293 -0.366 20 0 DBADRM Cc1cc2[nH]c(=O)c(C(=O)OCCCC(=O)C(=O)[O-])cn2n1 ZINC001607708984 1019040014 /nfs/dbraw/zinc/04/00/14/1019040014.db2.gz DVSKDNAEGDRMPQ-UHFFFAOYSA-N -1 0 307.262 -0.078 20 0 DBADRM Cc1ccc([C@@H](O)CNS(=O)(=O)N(C)CCC(=O)[O-])o1 ZINC001607761255 1019040965 /nfs/dbraw/zinc/04/09/65/1019040965.db2.gz VUPRAMIPKXRHHE-VIFPVBQESA-N -1 0 306.340 -0.138 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)NC1(C(=O)[O-])CCC1 ZINC001607710453 1019041183 /nfs/dbraw/zinc/04/11/83/1019041183.db2.gz JBOXXAMLJAAZSA-UHFFFAOYSA-N -1 0 302.308 -0.027 20 0 DBADRM Cc1cccc(CN(C)C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001607851284 1019041753 /nfs/dbraw/zinc/04/17/53/1019041753.db2.gz PIGYVLHIKYIAOL-UHFFFAOYSA-N -1 0 306.318 -0.389 20 0 DBADRM Cc1cccc(C[C@H](CNC(=O)Cn2nnc(N)n2)C(=O)[O-])c1 ZINC001607848396 1019042294 /nfs/dbraw/zinc/04/22/94/1019042294.db2.gz ACEYHPQIMPYALJ-LLVKDONJSA-N -1 0 318.337 -0.377 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)cc1C(=O)[O-] ZINC001607793332 1019042339 /nfs/dbraw/zinc/04/23/39/1019042339.db2.gz CKICYZICAHREID-LLVKDONJSA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1cccc(NC(=O)C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1 ZINC001607857411 1019042509 /nfs/dbraw/zinc/04/25/09/1019042509.db2.gz PXIIDYDDRVVQFQ-LLVKDONJSA-N -1 0 319.317 -0.313 20 0 DBADRM Cc1ccc(CCNC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)o1 ZINC001607777655 1019043238 /nfs/dbraw/zinc/04/32/38/1019043238.db2.gz VPEFMQHJALSJIP-GFCCVEGCSA-N -1 0 324.333 -0.051 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)nc1C ZINC001607781470 1019043298 /nfs/dbraw/zinc/04/32/98/1019043298.db2.gz OZPKTLZCEHMZAE-LBPRGKRZSA-N -1 0 321.333 -0.373 20 0 DBADRM Cc1cn(C)nc1C(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001607901558 1019044517 /nfs/dbraw/zinc/04/45/17/1019044517.db2.gz RRXUGBSPNQBHAC-ZJUUUORDSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1ccccc1[C@H](CC(=O)N1CC(O)(C(=O)[O-])C1)NC(N)=O ZINC001607874965 1019045070 /nfs/dbraw/zinc/04/50/70/1019045070.db2.gz DLVHZFIYECXRDX-NSHDSACASA-N -1 0 321.333 -0.248 20 0 DBADRM Cc1ccnc(C(=O)NCC2(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001607892651 1019045204 /nfs/dbraw/zinc/04/52/04/1019045204.db2.gz DJEGFPOQIVOOII-UWVGGRQHSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1ccn2ncc(C(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)c2n1 ZINC001607892484 1019045330 /nfs/dbraw/zinc/04/53/30/1019045330.db2.gz BERMKYLJOCCPHI-UWVGGRQHSA-N -1 0 304.306 -0.055 20 0 DBADRM Cc1cn2nc(C(=O)N3CCN(CC(=O)[O-])CC3)cc2c(=O)[nH]1 ZINC001607903126 1019045767 /nfs/dbraw/zinc/04/57/67/1019045767.db2.gz ONSFZRIHHXHTQP-UHFFFAOYSA-N -1 0 319.321 -0.827 20 0 DBADRM Cc1cnn(CC(=O)N[C@@H](C)CNc2ccnc(C(=O)[O-])n2)c1 ZINC001607916177 1019047580 /nfs/dbraw/zinc/04/75/80/1019047580.db2.gz KIOXDUNWVRLJGA-JTQLQIEISA-N -1 0 318.337 -0.282 20 0 DBADRM Cc1cnn(CC(=O)NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)c1 ZINC001607916152 1019048613 /nfs/dbraw/zinc/04/86/13/1019048613.db2.gz JIXKRWPXDHQDMK-QWRGUYRKSA-N -1 0 320.349 -0.323 20 0 DBADRM Cc1cncc(CNC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001607909730 1019048856 /nfs/dbraw/zinc/04/88/56/1019048856.db2.gz LYQONDLIRPKATK-NWDGAFQWSA-N -1 0 321.333 -0.700 20 0 DBADRM Cc1cn2nnc(C(=O)N3CC[C@@](F)(C(=O)[O-])C3)c2c(=O)[nH]1 ZINC001607903638 1019048871 /nfs/dbraw/zinc/04/88/71/1019048871.db2.gz YUPQWHCSHOEKGW-LBPRGKRZSA-N -1 0 309.257 -0.223 20 0 DBADRM Cc1nnc(CC(=O)NC[C@@H](C)Nc2ccnc(C(=O)[O-])n2)[nH]1 ZINC001607937136 1019050885 /nfs/dbraw/zinc/05/08/85/1019050885.db2.gz TXZGXEONVGPQHJ-SSDOTTSWSA-N -1 0 319.325 -0.817 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)CC2(O)CCC2)c1C(=O)[O-] ZINC001607936869 1019051165 /nfs/dbraw/zinc/05/11/65/1019051165.db2.gz LXMQYOLYHYSASG-UHFFFAOYSA-N -1 0 303.340 -0.048 20 0 DBADRM Cc1coc(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC001607918264 1019051281 /nfs/dbraw/zinc/05/12/81/1019051281.db2.gz NVAZJJUGLYTPLB-GHMZBOCLSA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2C[C@H]3C[C@@]3(CO)C2)c1C(=O)[O-] ZINC001607936896 1019052182 /nfs/dbraw/zinc/05/21/82/1019052182.db2.gz MOOROCBOMQZPGW-HQJQHLMTSA-N -1 0 301.324 -0.581 20 0 DBADRM Cc1csc(C(=O)[O-])c1NC(=O)C(=O)N1CCNC(=O)C1 ZINC001607923458 1019052304 /nfs/dbraw/zinc/05/23/04/1019052304.db2.gz NSULGYYBSRHXAU-UHFFFAOYSA-N -1 0 311.319 -0.348 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@H](O)[C@@H](F)C2)c1C(=O)[O-] ZINC001607936271 1019052713 /nfs/dbraw/zinc/05/27/13/1019052713.db2.gz BBEWXIZQAQBMCY-BQBZGAKWSA-N -1 0 307.303 -0.490 20 0 DBADRM Cc1csc(S(=O)(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c1 ZINC001607934085 1019052880 /nfs/dbraw/zinc/05/28/80/1019052880.db2.gz MSCYUKFOPUKJIV-QMMMGPOBSA-N -1 0 318.376 -0.028 20 0 DBADRM Cc1nnc(CC(=O)NC[C@H](C)Nc2ccnc(C(=O)[O-])n2)[nH]1 ZINC001607937137 1019052914 /nfs/dbraw/zinc/05/29/14/1019052914.db2.gz TXZGXEONVGPQHJ-ZETCQYMHSA-N -1 0 319.325 -0.817 20 0 DBADRM Cc1nnc([C@@H]2CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C2)[nH]1 ZINC001607952583 1019053800 /nfs/dbraw/zinc/05/38/00/1019053800.db2.gz VHIHLWIPYFHXAJ-IONNQARKSA-N -1 0 302.356 -0.047 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@@]2(C)CCC(=O)N2)c1C(=O)[O-] ZINC001607939321 1019054471 /nfs/dbraw/zinc/05/44/71/1019054471.db2.gz BLNLHAKGYFWUOG-LLVKDONJSA-N -1 0 316.339 -0.637 20 0 DBADRM Cc1nc([C@@H]2COCCN2C(=O)NCCOCC(=O)[O-])no1 ZINC001607952088 1019054797 /nfs/dbraw/zinc/05/47/97/1019054797.db2.gz NILACDPFTYIERD-VIFPVBQESA-N -1 0 314.298 -0.438 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@@H]2COCCO2)c1C(=O)[O-] ZINC001607941068 1019054818 /nfs/dbraw/zinc/05/48/18/1019054818.db2.gz XAUSUUNAIXNBMU-SSDOTTSWSA-N -1 0 305.312 -0.890 20 0 DBADRM Cc1nc(C)c(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)[nH]1 ZINC001607955788 1019055191 /nfs/dbraw/zinc/05/51/91/1019055191.db2.gz IXQCCXQDKVCSMT-SNVBAGLBSA-N -1 0 308.338 -0.034 20 0 DBADRM Cc1nnc(CN2CCN(c3cc(C(=O)[O-])ncn3)CC2)[nH]1 ZINC001607955848 1019055340 /nfs/dbraw/zinc/05/53/40/1019055340.db2.gz KDXWOMIHLLGTMB-UHFFFAOYSA-N -1 0 303.326 -0.076 20 0 DBADRM Cc1nc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)sc1C ZINC001607967761 1019057529 /nfs/dbraw/zinc/05/75/29/1019057529.db2.gz CRHOXPRUGINNFC-SNVBAGLBSA-N -1 0 306.365 -0.030 20 0 DBADRM Cc1nc2n(n1)CCN(S(=O)(=O)CC1(C(=O)[O-])CCC1)C2 ZINC001607976865 1019058512 /nfs/dbraw/zinc/05/85/12/1019058512.db2.gz RISZRYBWECQSRM-UHFFFAOYSA-N -1 0 314.367 -0.013 20 0 DBADRM Cc1ncn(C)c1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607991339 1019061464 /nfs/dbraw/zinc/06/14/64/1019061464.db2.gz XJMYSUORVRPJGJ-QWRGUYRKSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1nccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001607987981 1019061647 /nfs/dbraw/zinc/06/16/47/1019061647.db2.gz VSGBQFDEESOHLD-GHMZBOCLSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1ncc(S(=O)(=O)N(C)C(C)(C)C(N)=O)cc1C(=O)[O-] ZINC001607984162 1019061884 /nfs/dbraw/zinc/06/18/84/1019061884.db2.gz UMOONLSDMYLSEN-UHFFFAOYSA-N -1 0 315.351 -0.027 20 0 DBADRM Cc1ncoc1C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607992621 1019062190 /nfs/dbraw/zinc/06/21/90/1019062190.db2.gz DLOXTRXUQLTZGP-UWVGGRQHSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1ncn(C)c1C(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607991285 1019062413 /nfs/dbraw/zinc/06/24/13/1019062413.db2.gz VWBRXGBMQHRETD-WDEREUQCSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1ncncc1C(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001607991018 1019062463 /nfs/dbraw/zinc/06/24/63/1019062463.db2.gz SZCYGNBGBWZGGP-UWVGGRQHSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1nn(CC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])c(=O)n1C ZINC001608005294 1019063137 /nfs/dbraw/zinc/06/31/37/1019063137.db2.gz HWKQRWOIHGNKGH-SSDOTTSWSA-N -1 0 304.253 -0.789 20 0 DBADRM Cc1nn(CC(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])c(=O)o1 ZINC001608003650 1019063346 /nfs/dbraw/zinc/06/33/46/1019063346.db2.gz KDLIIOUWDMXCDX-SNVBAGLBSA-N -1 0 321.289 -0.338 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@H](C)S(C)(=O)=O ZINC001608003616 1019064193 /nfs/dbraw/zinc/06/41/93/1019064193.db2.gz IUAIPGUVUQBKQK-VIFPVBQESA-N -1 0 317.367 -0.366 20 0 DBADRM Cc1nn(C)c(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1C ZINC001608002074 1019064271 /nfs/dbraw/zinc/06/42/71/1019064271.db2.gz QJXUZOHZRIGREP-SNVBAGLBSA-N -1 0 324.337 -0.322 20 0 DBADRM Cc1nnccc1NC(=O)C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001608018717 1019066350 /nfs/dbraw/zinc/06/63/50/1019066350.db2.gz YQQOJVZXIIVBPU-CYBMUJFWSA-N -1 0 308.294 -0.526 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N2CC(O)(C(=O)[O-])C2)c(F)c1 ZINC001608020305 1019066961 /nfs/dbraw/zinc/06/69/61/1019066961.db2.gz HKOSAAHQTPEWCX-UHFFFAOYSA-N -1 0 321.268 -0.619 20 0 DBADRM Cc1nnc(CNC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)s1 ZINC001608016888 1019067760 /nfs/dbraw/zinc/06/77/60/1019067760.db2.gz ZJIJDZBZTKVVMF-OIBJUYFYSA-N -1 0 305.381 -0.176 20 0 DBADRM Cc1n[nH]c(=O)c(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1C ZINC001608017991 1019068205 /nfs/dbraw/zinc/06/82/05/1019068205.db2.gz BPGVPQRYQMDKTJ-NXEZZACHSA-N -1 0 324.337 -0.224 20 0 DBADRM Cc1nnccc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608017614 1019068246 /nfs/dbraw/zinc/06/82/46/1019068246.db2.gz FVIZIJYTKXOURE-NEPJUHHUSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N2CCNC(=O)[C@@H]2C)cc1C(=O)[O-] ZINC001608049157 1019069050 /nfs/dbraw/zinc/06/90/50/1019069050.db2.gz AJZQXOFOPQBQIG-ZETCQYMHSA-N -1 0 323.305 -0.751 20 0 DBADRM Cc1noc([C@H]2OCC[C@H]2NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)n1 ZINC001608029451 1019069333 /nfs/dbraw/zinc/06/93/33/1019069333.db2.gz VAQZSMOYKMXICP-IMSYWVGJSA-N -1 0 311.294 -0.044 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H](CO)CN1CCOCC1 ZINC001608033835 1019069349 /nfs/dbraw/zinc/06/93/49/1019069349.db2.gz FHLCLYYLUWQTHP-SNVBAGLBSA-N -1 0 312.322 -0.291 20 0 DBADRM Cc1nonc1CC(=O)NCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001608030439 1019069507 /nfs/dbraw/zinc/06/95/07/1019069507.db2.gz CECWRRNWELNCEA-UHFFFAOYSA-N -1 0 320.309 -0.339 20 0 DBADRM Cc1oc(CNC(=O)NCCN2CCNC(=O)C2)cc1C(=O)[O-] ZINC001608048614 1019069527 /nfs/dbraw/zinc/06/95/27/1019069527.db2.gz KPZUUKDXBJDYJB-UHFFFAOYSA-N -1 0 324.337 -0.483 20 0 DBADRM Cc1oc(C(=O)NOCCCC(=O)[O-])cc1S(N)(=O)=O ZINC001608032288 1019069938 /nfs/dbraw/zinc/06/99/38/1019069938.db2.gz WYYPZPWUMCPJCI-UHFFFAOYSA-N -1 0 306.296 -0.238 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C)C[C@@H]1CO ZINC001608038194 1019070596 /nfs/dbraw/zinc/07/05/96/1019070596.db2.gz BVSATICEAHJNKD-SECBINFHSA-N -1 0 318.351 -0.417 20 0 DBADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@@H](CF)C(=O)[O-] ZINC001608043392 1019070897 /nfs/dbraw/zinc/07/08/97/1019070897.db2.gz QETZCJZTXQJBBG-LURJTMIESA-N -1 0 308.287 -0.304 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001608041435 1019070959 /nfs/dbraw/zinc/07/09/59/1019070959.db2.gz JQGLSQJXFYUEFS-SSDOTTSWSA-N -1 0 302.308 -0.075 20 0 DBADRM Cc1nonc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608031500 1019071045 /nfs/dbraw/zinc/07/10/45/1019071045.db2.gz VMAQDBVXWRUOTM-BDAKNGLRSA-N -1 0 308.294 -0.713 20 0 DBADRM Cc1ocnc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608056620 1019071434 /nfs/dbraw/zinc/07/14/34/1019071434.db2.gz OIDJMSFNQRJEKB-ZJUUUORDSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1sc(=O)n(CC(=O)N2CCC(O)(C(=O)[O-])CC2)c1C ZINC001608057960 1019071482 /nfs/dbraw/zinc/07/14/82/1019071482.db2.gz CRHWORNWCSIVEJ-UHFFFAOYSA-N -1 0 314.363 -0.035 20 0 DBADRM Cn1c2sc(C(=O)NC3(C(=O)[O-])CC3)cc2c(=O)n(C)c1=O ZINC001608076902 1019071834 /nfs/dbraw/zinc/07/18/34/1019071834.db2.gz QVYWIQWDXAZLJQ-UHFFFAOYSA-N -1 0 323.330 -0.354 20 0 DBADRM Cn1c2ccccc2n(CCC(=O)N[C@@](C)(CO)C(=O)[O-])c1=O ZINC001608077834 1019072441 /nfs/dbraw/zinc/07/24/41/1019072441.db2.gz MAGVPXKKZBXSOK-HNNXBMFYSA-N -1 0 321.333 -0.318 20 0 DBADRM Cn1c(CN2C[C@@H](O)C[C@H]2C(=O)[O-])nc2ccccc2c1=O ZINC001608085583 1019074817 /nfs/dbraw/zinc/07/48/17/1019074817.db2.gz JWFKQKHNVKHENR-CABZTGNLSA-N -1 0 303.318 -0.047 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001608082954 1019074860 /nfs/dbraw/zinc/07/48/60/1019074860.db2.gz NQYXGWHKBHNQJJ-LDYMZIIASA-N -1 0 307.306 -0.547 20 0 DBADRM Cn1c(=O)cc(N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)n(C)c1=O ZINC001608091129 1019075038 /nfs/dbraw/zinc/07/50/38/1019075038.db2.gz WZPYRRFVTFLKLH-LLVKDONJSA-N -1 0 321.255 -0.073 20 0 DBADRM Cn1c([C@@H]2CC=C[C@H](O)C2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001608091701 1019075764 /nfs/dbraw/zinc/07/57/64/1019075764.db2.gz GMMDVRKUYLDWLC-VWYCJHECSA-N -1 0 308.338 -0.101 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001608097639 1019076957 /nfs/dbraw/zinc/07/69/57/1019076957.db2.gz DJNBUNVVJRYWJR-PDEGPIFNSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1cc(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC001608096828 1019076977 /nfs/dbraw/zinc/07/69/77/1019076977.db2.gz SUMMZAKHKIBJIW-CQSZACIVSA-N -1 0 309.322 -0.543 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC001608100126 1019077055 /nfs/dbraw/zinc/07/70/55/1019077055.db2.gz SBIDKKXQOMUODN-KNVOCYPGSA-N -1 0 314.248 -0.220 20 0 DBADRM Cn1cc(C(=O)N2CC(O)(C(=O)[O-])C2)c(-c2cccnc2)n1 ZINC001608097331 1019077111 /nfs/dbraw/zinc/07/71/11/1019077111.db2.gz WXYNJYMZHZVEDU-UHFFFAOYSA-N -1 0 302.290 -0.246 20 0 DBADRM Cn1cc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])ccc1=O ZINC001608098684 1019077263 /nfs/dbraw/zinc/07/72/63/1019077263.db2.gz UWLLPNKQOOSBJA-JTQLQIEISA-N -1 0 310.306 -0.279 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001608100805 1019077475 /nfs/dbraw/zinc/07/74/75/1019077475.db2.gz BBNODMPIQNFSLY-UHFFFAOYSA-N -1 0 321.297 -0.749 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCCNC1=O ZINC001608100604 1019078143 /nfs/dbraw/zinc/07/81/43/1019078143.db2.gz BCFLDGQOYGUFMD-QMMMGPOBSA-N -1 0 301.324 -0.720 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001608103014 1019079087 /nfs/dbraw/zinc/07/90/87/1019079087.db2.gz HWEDJSVOCLBMFD-GFCCVEGCSA-N -1 0 324.297 -0.964 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)NC2CCS(=O)(=O)CC2)n1 ZINC001608103855 1019079181 /nfs/dbraw/zinc/07/91/81/1019079181.db2.gz VSNHHACXRYWYJO-UHFFFAOYSA-N -1 0 316.339 -0.183 20 0 DBADRM Cn1cc([C@H]2CN(C(=O)c3cc(C(=O)[O-])no3)CCN2)cn1 ZINC001608108129 1019079569 /nfs/dbraw/zinc/07/95/69/1019079569.db2.gz XSMGMYYQBPLVPH-SNVBAGLBSA-N -1 0 305.294 -0.107 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)CCCn2ccc(C(=O)[O-])n2)cn1 ZINC001608106556 1019080382 /nfs/dbraw/zinc/08/03/82/1019080382.db2.gz XBSHPMGLBVRBGL-GFCCVEGCSA-N -1 0 321.337 -0.055 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC001608101247 1019080552 /nfs/dbraw/zinc/08/05/52/1019080552.db2.gz WKOVEMLRGDGOIA-WRXNHJIOSA-N -1 0 301.324 -0.735 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)C2=O)cn1 ZINC001608117207 1019082540 /nfs/dbraw/zinc/08/25/40/1019082540.db2.gz GVMCCSAIJATPDX-NGZCFLSTSA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1ccc(=O)c(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c1 ZINC001608123706 1019084334 /nfs/dbraw/zinc/08/43/34/1019084334.db2.gz QUFYNQVVMOBJGF-CQSZACIVSA-N -1 0 305.290 -0.169 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](CO)[C@H]2CCOC2)cc1C(=O)[O-] ZINC001608121754 1019084789 /nfs/dbraw/zinc/08/47/89/1019084789.db2.gz BIOYYZNVEADTAX-WCBMZHEXSA-N -1 0 318.351 -0.601 20 0 DBADRM Cn1ccc(=O)c(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001608123316 1019085262 /nfs/dbraw/zinc/08/52/62/1019085262.db2.gz GUNDVSALWJZENI-VHSXEESVSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1ccc(-c2cc(C(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)no2)n1 ZINC001608123050 1019085378 /nfs/dbraw/zinc/08/53/78/1019085378.db2.gz LJHQVWNJYCHSBP-BDAKNGLRSA-N -1 0 320.305 -0.017 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H](CCF)C(=O)[O-] ZINC001608122349 1019085805 /nfs/dbraw/zinc/08/58/05/1019085805.db2.gz RBXUCWKSEWTHEN-SSDOTTSWSA-N -1 0 307.303 -0.785 20 0 DBADRM Cn1ccc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001608126092 1019085844 /nfs/dbraw/zinc/08/58/44/1019085844.db2.gz COIDIDMRWLKRNI-DDHJBXDOSA-N -1 0 320.349 -0.553 20 0 DBADRM Cn1ccc(=O)c(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001608123315 1019085885 /nfs/dbraw/zinc/08/58/85/1019085885.db2.gz GUNDVSALWJZENI-UWVGGRQHSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1ccc(-n2cc(CN3CCOC[C@H]3CC(=O)[O-])nn2)n1 ZINC001608123563 1019086045 /nfs/dbraw/zinc/08/60/45/1019086045.db2.gz MPOCSGWEZMKBPY-LLVKDONJSA-N -1 0 306.326 -0.324 20 0 DBADRM Cn1ccc(=O)c(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001608123312 1019086100 /nfs/dbraw/zinc/08/61/00/1019086100.db2.gz GPXUAGVQITWLTO-ZJUUUORDSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)c1Cl ZINC001608135156 1019087239 /nfs/dbraw/zinc/08/72/39/1019087239.db2.gz DLIADJWDWMWJDC-JTQLQIEISA-N -1 0 323.758 -0.014 20 0 DBADRM Cn1ccnc(NC(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)c1=O ZINC001608129587 1019087274 /nfs/dbraw/zinc/08/72/74/1019087274.db2.gz SOXLCRDVXUQUQR-IUCAKERBSA-N -1 0 310.310 -0.361 20 0 DBADRM Cn1cccc(C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])c1=O ZINC001608129535 1019087419 /nfs/dbraw/zinc/08/74/19/1019087419.db2.gz BQUOMFOANWMYJP-CQSZACIVSA-N -1 0 304.306 -0.145 20 0 DBADRM Cn1cnc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@@H]4C(=O)[O-])C[C@H]32)c1 ZINC001608133276 1019088822 /nfs/dbraw/zinc/08/88/22/1019088822.db2.gz BRAZHHZZFDUISL-ULHKAFAUSA-N -1 0 318.333 -0.673 20 0 DBADRM Cn1cnc(/C=C\C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC001608133736 1019088900 /nfs/dbraw/zinc/08/89/00/1019088900.db2.gz HQDCZGSYANWWSS-ZMWSMAPVSA-N -1 0 313.335 -0.857 20 0 DBADRM Cn1cnn(CC(=O)OCC(=O)c2cccc(C(=O)[O-])c2)c1=O ZINC001608137393 1019089571 /nfs/dbraw/zinc/08/95/71/1019089571.db2.gz KKHNKWFZGIEVSB-UHFFFAOYSA-N -1 0 319.273 -0.294 20 0 DBADRM Cn1cnn(CCC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c1=O ZINC001608137640 1019089616 /nfs/dbraw/zinc/08/96/16/1019089616.db2.gz RNRDCHPPXYKXND-NSHDSACASA-N -1 0 319.321 -0.821 20 0 DBADRM Cn1cnn(CC(=O)O[C@H](Cc2ccccc2)C(=O)[O-])c1=O ZINC001608137678 1019089696 /nfs/dbraw/zinc/08/96/96/1019089696.db2.gz SNNWEUMSGWGXRP-LLVKDONJSA-N -1 0 305.290 -0.179 20 0 DBADRM Cn1cnn(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)c1=O ZINC001608137833 1019090867 /nfs/dbraw/zinc/09/08/67/1019090867.db2.gz WIJBVBYRIBXBQZ-UHFFFAOYSA-N -1 0 307.314 -0.834 20 0 DBADRM Cn1cnn(CCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1=O ZINC001608137827 1019091368 /nfs/dbraw/zinc/09/13/68/1019091368.db2.gz VZYUQBSWBHBOFI-GFCCVEGCSA-N -1 0 304.306 -0.086 20 0 DBADRM Cn1cnn(CC(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)c1=O ZINC001608137320 1019091483 /nfs/dbraw/zinc/09/14/83/1019091483.db2.gz GPHCCQUOCSFYMP-NSHDSACASA-N -1 0 318.289 -0.539 20 0 DBADRM Cn1nc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1C(=O)[O-] ZINC001608149413 1019092121 /nfs/dbraw/zinc/09/21/21/1019092121.db2.gz YVDPGKXUPGUGIK-SSDOTTSWSA-N -1 0 316.339 -0.519 20 0 DBADRM Cn1cnnc1CN1CCC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608139815 1019092187 /nfs/dbraw/zinc/09/21/87/1019092187.db2.gz VJAQGGGYPYOPEH-QWRGUYRKSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1nc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1C=O ZINC001608139240 1019092414 /nfs/dbraw/zinc/09/24/14/1019092414.db2.gz DSVJYZNODDYOIC-SNVBAGLBSA-N -1 0 308.294 -0.962 20 0 DBADRM Cn1nc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1OC(F)F ZINC001608142492 1019092586 /nfs/dbraw/zinc/09/25/86/1019092586.db2.gz QYLMPPYNJYJAQO-VDTYLAMSSA-N -1 0 305.237 -0.319 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N(CCCCO)C1CC1 ZINC001608155458 1019093613 /nfs/dbraw/zinc/09/36/13/1019093613.db2.gz RNTTWMOIUZRETB-UHFFFAOYSA-N -1 0 324.337 -0.180 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N[C@@H](CO)C1CCC1 ZINC001608155062 1019093573 /nfs/dbraw/zinc/09/35/73/1019093573.db2.gz LYBSGNBXYBZOBV-VIFPVBQESA-N -1 0 310.310 -0.666 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1CCS(=O)(=O)CCO1 ZINC001608156626 1019093758 /nfs/dbraw/zinc/09/37/58/1019093758.db2.gz TZZOTLMMRLFJHR-UHFFFAOYSA-N -1 0 318.311 -0.688 20 0 DBADRM Cn1ncc(C(=O)NCCC(=O)NCCC(=O)[O-])c1Cl ZINC001608155930 1019094051 /nfs/dbraw/zinc/09/40/51/1019094051.db2.gz SNTMNHYGTURHCQ-UHFFFAOYSA-N -1 0 302.718 -0.216 20 0 DBADRM Cn1nc(NC(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1C(=O)[O-] ZINC001608149891 1019095638 /nfs/dbraw/zinc/09/56/38/1019095638.db2.gz OANKXLNBLLIMBB-CYBMUJFWSA-N -1 0 307.310 -0.138 20 0 DBADRM Cn1nc2c(c1C(=O)NCCC(=O)NCCC(=O)[O-])CCC2 ZINC001608151304 1019095753 /nfs/dbraw/zinc/09/57/53/1019095753.db2.gz KSIGVNRHKSPPBW-UHFFFAOYSA-N -1 0 308.338 -0.380 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC001608154970 1019095835 /nfs/dbraw/zinc/09/58/35/1019095835.db2.gz KLKRXGBYIKIIII-UHFFFAOYSA-N -1 0 321.337 -0.637 20 0 DBADRM Cn1nnc(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)n1 ZINC001608165088 1019096770 /nfs/dbraw/zinc/09/67/70/1019096770.db2.gz BPDHHBJZKKKJFW-AEJSXWLSSA-N -1 0 309.326 -0.306 20 0 DBADRM Cn1nccc1[C@@H]1CN([C@H]2CCN(CCC(=O)[O-])C2=O)CCO1 ZINC001608164882 1019097019 /nfs/dbraw/zinc/09/70/19/1019097019.db2.gz AUDLFCFAAYFXSW-STQMWFEESA-N -1 0 322.365 -0.131 20 0 DBADRM Cn1nccc1CCN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608165049 1019097271 /nfs/dbraw/zinc/09/72/71/1019097271.db2.gz GYVOFFGGLHOTBI-QWHCGFSZSA-N -1 0 306.366 -0.173 20 0 DBADRM Cn1[nH]cnc1=NC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001608165238 1019098073 /nfs/dbraw/zinc/09/80/73/1019098073.db2.gz GCKGUFILLXHKNM-UHFFFAOYSA-N -1 0 308.298 -0.536 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CN1CCC(CO)CC1)C(=O)[O-] ZINC001608162711 1019098386 /nfs/dbraw/zinc/09/83/86/1019098386.db2.gz PWRWGCSFSJGDPP-ZDUSSCGKSA-N -1 0 310.354 -0.634 20 0 DBADRM Cn1nnc(C(=O)N2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)n1 ZINC001608165094 1019098489 /nfs/dbraw/zinc/09/84/89/1019098489.db2.gz BPDHHBJZKKKJFW-LPEHRKFASA-N -1 0 309.326 -0.306 20 0 DBADRM Cn1ncc2cc(C(=O)NCCn3cc(C(=O)[O-])nn3)cnc21 ZINC001608160842 1019098622 /nfs/dbraw/zinc/09/86/22/1019098622.db2.gz LPWYSKRTOREUHL-UHFFFAOYSA-N -1 0 315.293 -0.312 20 0 DBADRM Cn1nncc1CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001608167357 1019099135 /nfs/dbraw/zinc/09/91/35/1019099135.db2.gz CWLWUURYHUWTEV-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cn1nnc(C(=O)N2CCOc3c(cccc3C(=O)[O-])C2)n1 ZINC001608166153 1019099455 /nfs/dbraw/zinc/09/94/55/1019099455.db2.gz XSDVMSNQTNXWHS-UHFFFAOYSA-N -1 0 303.278 -0.057 20 0 DBADRM Cn1nncc1CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001608168060 1019099819 /nfs/dbraw/zinc/09/98/19/1019099819.db2.gz PATJATYASSCWDF-UHFFFAOYSA-N -1 0 317.305 -0.303 20 0 DBADRM Cn1nnc2cc(C(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)ccc21 ZINC001608168077 1019100079 /nfs/dbraw/zinc/10/00/79/1019100079.db2.gz OCMPIZAULFXETQ-NXEZZACHSA-N -1 0 304.306 -0.124 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-])CC2 ZINC001608167911 1019100161 /nfs/dbraw/zinc/10/01/61/1019100161.db2.gz RPSPGMFPYJLIJS-FXAINCCUSA-N -1 0 308.338 -0.644 20 0 DBADRM Cn1nnc(CNCC2(CCNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001608167589 1019100731 /nfs/dbraw/zinc/10/07/31/1019100731.db2.gz NMJAPPBEPYSMGH-NXEZZACHSA-N -1 0 322.369 -0.693 20 0 DBADRM Cn1nnnc1CCCNC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001608169243 1019103167 /nfs/dbraw/zinc/10/31/67/1019103167.db2.gz POFWCCRNCCLKOB-UHFFFAOYSA-N -1 0 304.310 -0.405 20 0 DBADRM Cn1oc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cc1=O ZINC001608169755 1019103331 /nfs/dbraw/zinc/10/33/31/1019103331.db2.gz LATYMHAEUKNIQX-HTQZYQBOSA-N -1 0 323.305 -0.922 20 0 DBADRM Cn1nncc1NC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001608169022 1019105137 /nfs/dbraw/zinc/10/51/37/1019105137.db2.gz CQEGIZNRPRXSKT-QMMMGPOBSA-N -1 0 320.313 -0.026 20 0 DBADRM Cn1nncc1NC(=O)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001608169332 1019105405 /nfs/dbraw/zinc/10/54/05/1019105405.db2.gz QRKWGBAGNZCGGT-UHFFFAOYSA-N -1 0 317.305 -0.303 20 0 DBADRM Cn1nnnc1CN1CC=C(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608170216 1019106112 /nfs/dbraw/zinc/10/61/12/1019106112.db2.gz VTIXRYJUZDYLIC-GHMZBOCLSA-N -1 0 320.353 -0.821 20 0 DBADRM NC(=O)C(=O)N[C@H]1CCC[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001608227479 1019114824 /nfs/dbraw/zinc/11/48/24/1019114824.db2.gz SOKYZEYZMIOGJJ-APPZFPTMSA-N -1 0 307.310 -0.643 20 0 DBADRM NC(=O)CC(=O)NCC1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001608229027 1019115658 /nfs/dbraw/zinc/11/56/58/1019115658.db2.gz ATNXMQBCDGMDQV-UHFFFAOYSA-N -1 0 321.337 -0.617 20 0 DBADRM NC(=O)C(=O)N[C@@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C12CCC2 ZINC001608226931 1019116146 /nfs/dbraw/zinc/11/61/46/1019116146.db2.gz HHWQLQLACGTMLR-BDAKNGLRSA-N -1 0 319.321 -0.501 20 0 DBADRM NC(=O)[C@@H](NC(=O)Cn1ccc(C(=O)[O-])n1)c1ccccc1 ZINC001608227724 1019116616 /nfs/dbraw/zinc/11/66/16/1019116616.db2.gz CYUUMUIWAQRYHD-LBPRGKRZSA-N -1 0 302.290 -0.076 20 0 DBADRM NC(=O)C(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C12CCC2 ZINC001608226932 1019116850 /nfs/dbraw/zinc/11/68/50/1019116850.db2.gz HHWQLQLACGTMLR-DTWKUNHWSA-N -1 0 319.321 -0.501 20 0 DBADRM NC(=O)[C@H]1CN(S(=O)(=O)c2ccsc2C(=O)[O-])CCO1 ZINC001608230263 1019117847 /nfs/dbraw/zinc/11/78/47/1019117847.db2.gz UBLOZQJGOCBBQA-ZCFIWIBFSA-N -1 0 320.348 -0.679 20 0 DBADRM NC(=O)[C@]1(NS(=O)(=O)c2ccccc2C(=O)[O-])CCOC1 ZINC001608229797 1019117980 /nfs/dbraw/zinc/11/79/80/1019117980.db2.gz PFQPQVDNACPJEC-LBPRGKRZSA-N -1 0 314.319 -0.693 20 0 DBADRM NC(=O)[C@@H]1CN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CCO1 ZINC001608229635 1019118666 /nfs/dbraw/zinc/11/86/66/1019118666.db2.gz MYKUNFKTZJRULX-KXUCPTDWSA-N -1 0 320.367 -0.854 20 0 DBADRM NC(=O)CC1(CN2C(=O)[C@@H]3CC[C@@H](C(=O)[O-])CN3C2=O)CC1 ZINC001608231061 1019119262 /nfs/dbraw/zinc/11/92/62/1019119262.db2.gz QFBYDVQQZAXXSB-BDAKNGLRSA-N -1 0 309.322 -0.231 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1 ZINC001608229702 1019119724 /nfs/dbraw/zinc/11/97/24/1019119724.db2.gz NEHFOOBZGYYTLG-VHSXEESVSA-N -1 0 314.338 -0.762 20 0 DBADRM NC(=O)CN1CCC[C@@H](NC(=O)CCc2ocnc2C(=O)[O-])C1 ZINC001608234927 1019121163 /nfs/dbraw/zinc/12/11/63/1019121163.db2.gz QEURAGNVKCGFGV-SECBINFHSA-N -1 0 324.337 -0.629 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)Cc2ccc(C(=O)[O-])nc2)O1 ZINC001608231975 1019121349 /nfs/dbraw/zinc/12/13/49/1019121349.db2.gz IZRUADYFDQHOCX-KOLCDFICSA-N -1 0 307.306 -0.529 20 0 DBADRM NC(=O)CCCC(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001608232599 1019122508 /nfs/dbraw/zinc/12/25/08/1019122508.db2.gz VHKOABPNYKGQRI-UHFFFAOYSA-N -1 0 320.367 -0.820 20 0 DBADRM NC(=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001608234602 1019123372 /nfs/dbraw/zinc/12/33/72/1019123372.db2.gz YOTWNFPRGAWYNJ-UHFFFAOYSA-N -1 0 313.697 -0.032 20 0 DBADRM NC(=O)C[C@@H]1COCCN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC001608231682 1019123684 /nfs/dbraw/zinc/12/36/84/1019123684.db2.gz IKGDXHDZDZURIG-SNVBAGLBSA-N -1 0 321.333 -0.101 20 0 DBADRM NC(=O)CN1CCCN(C(=O)Cc2ccc(C(=O)[O-])nc2)CC1 ZINC001608234890 1019123938 /nfs/dbraw/zinc/12/39/38/1019123938.db2.gz OTDARYMJTUACSN-UHFFFAOYSA-N -1 0 320.349 -0.658 20 0 DBADRM NC(=O)Cn1cc(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)nn1 ZINC001608237090 1019125502 /nfs/dbraw/zinc/12/55/02/1019125502.db2.gz PWQQPXOJJJWIRB-RNCFNFMXSA-N -1 0 307.310 -0.767 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)C1 ZINC001608236706 1019125983 /nfs/dbraw/zinc/12/59/83/1019125983.db2.gz FOFJTMAHUFOCRP-GARJFASQSA-N -1 0 313.354 -0.369 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)C1 ZINC001608236693 1019127891 /nfs/dbraw/zinc/12/78/91/1019127891.db2.gz FOFJTMAHUFOCRP-AXFHLTTASA-N -1 0 313.354 -0.369 20 0 DBADRM NC(=O)c1ccc(CC(=O)Nc2ccnc(C(=O)[O-])n2)cn1 ZINC001608242767 1019129763 /nfs/dbraw/zinc/12/97/63/1019129763.db2.gz ISSQFFZZKURFCW-UHFFFAOYSA-N -1 0 301.262 -0.728 20 0 DBADRM NC(=O)c1cc(C(=O)OCCCc2cn(CC(=O)[O-])nn2)co1 ZINC001608240896 1019129825 /nfs/dbraw/zinc/12/98/25/1019129825.db2.gz FEIAVIJGUZJPKW-UHFFFAOYSA-N -1 0 322.277 -0.156 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])O1 ZINC001608239353 1019130340 /nfs/dbraw/zinc/13/03/40/1019130340.db2.gz CMIZGDQCWSMOMQ-MWGHHZFTSA-N -1 0 314.338 -0.764 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001608240492 1019130525 /nfs/dbraw/zinc/13/05/25/1019130525.db2.gz OHCTVCNMNWZASV-ITMYJUKJSA-N -1 0 309.322 -0.280 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)nc1 ZINC001608243673 1019132607 /nfs/dbraw/zinc/13/26/07/1019132607.db2.gz XHCYHFKBCDLPEQ-AWEZNQCLSA-N -1 0 318.289 -0.374 20 0 DBADRM NC(=O)c1cn(CCOC(=O)c2ccc(C(=O)[O-])cc2)nn1 ZINC001608246905 1019132702 /nfs/dbraw/zinc/13/27/02/1019132702.db2.gz JIWZELLRIBZHCA-UHFFFAOYSA-N -1 0 304.262 -0.068 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])c1 ZINC001608244906 1019132758 /nfs/dbraw/zinc/13/27/58/1019132758.db2.gz DLVFKQSWXMQFGY-WPRPVWTQSA-N -1 0 316.310 -0.029 20 0 DBADRM NC(=O)c1csc(NC(=O)Cn2cccc(C(=O)[O-])c2=O)n1 ZINC001608245432 1019133129 /nfs/dbraw/zinc/13/31/29/1019133129.db2.gz NRDUBYQVBBYJNZ-UHFFFAOYSA-N -1 0 322.302 -0.259 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001608246336 1019133498 /nfs/dbraw/zinc/13/34/98/1019133498.db2.gz QKOBMPBUJKSVQS-OAHLLOKOSA-N -1 0 321.333 -0.053 20 0 DBADRM NC(=O)c1ccc(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1 ZINC001608244279 1019133761 /nfs/dbraw/zinc/13/37/61/1019133761.db2.gz QQQFPBLFNFNPIF-GFCCVEGCSA-N -1 0 305.334 -0.049 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cn1 ZINC001608243682 1019133981 /nfs/dbraw/zinc/13/39/81/1019133981.db2.gz XREQLRKCIANDKW-NSHDSACASA-N -1 0 307.306 -0.522 20 0 DBADRM NC(=O)c1ncn(CC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)n1 ZINC001608248866 1019137445 /nfs/dbraw/zinc/13/74/45/1019137445.db2.gz QYXNRINDMNLFGZ-SNVBAGLBSA-N -1 0 323.353 -0.226 20 0 DBADRM NC(=O)c1ncn(CC(=O)NCC2(CC(=O)[O-])CCCC2)n1 ZINC001608247792 1019137731 /nfs/dbraw/zinc/13/77/31/1019137731.db2.gz LMRUJGOQFUXFQX-UHFFFAOYSA-N -1 0 309.326 -0.472 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@@H](C(=O)[O-])c2cccnc2)S1 ZINC001608251117 1019138412 /nfs/dbraw/zinc/13/84/12/1019138412.db2.gz QNUXYDVIXSBJHG-VXNVDRBHSA-N -1 0 308.319 -0.120 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001608259482 1019140932 /nfs/dbraw/zinc/14/09/32/1019140932.db2.gz MFYHICCRHQVBGL-MRVPVSSYSA-N -1 0 313.335 -0.470 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])co1 ZINC001608261699 1019144469 /nfs/dbraw/zinc/14/44/69/1019144469.db2.gz BPKWSCZMTUKRON-HTQZYQBOSA-N -1 0 302.308 -0.090 20 0 DBADRM NS(=O)(=O)NC1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC001608261338 1019144989 /nfs/dbraw/zinc/14/49/89/1019144989.db2.gz SEWWLCOFEDVZEI-UHFFFAOYSA-N -1 0 317.367 -0.975 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)o1 ZINC001608263495 1019145021 /nfs/dbraw/zinc/14/50/21/1019145021.db2.gz SXMGAWNLSFLPGG-HTQZYQBOSA-N -1 0 304.324 -0.806 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](CC2CC2)C(=O)[O-])C1 ZINC001608260932 1019145191 /nfs/dbraw/zinc/14/51/91/1019145191.db2.gz CWBILKPIWZYNLO-ZJUUUORDSA-N -1 0 319.383 -0.729 20 0 DBADRM NS(=O)(=O)N1CCN(Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC001608261889 1019145241 /nfs/dbraw/zinc/14/52/41/1019145241.db2.gz ZOURAHHADZJFGR-UHFFFAOYSA-N -1 0 317.342 -0.155 20 0 DBADRM NS(=O)(=O)NC[C@@H]1CCCN(c2ccc(C(=O)[O-])nn2)C1 ZINC001608261496 1019145271 /nfs/dbraw/zinc/14/52/71/1019145271.db2.gz UPOSROWGPHFJJD-QMMMGPOBSA-N -1 0 315.355 -0.816 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)O[C@H](C(=O)[O-])C2CC2)ccn1 ZINC001608261695 1019145576 /nfs/dbraw/zinc/14/55/76/1019145576.db2.gz BHXKKXLCEKGDIC-VIFPVBQESA-N -1 0 300.292 -0.251 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](CC2CC2)C(=O)[O-])C1 ZINC001608260931 1019145624 /nfs/dbraw/zinc/14/56/24/1019145624.db2.gz CWBILKPIWZYNLO-VHSXEESVSA-N -1 0 319.383 -0.729 20 0 DBADRM NS(=O)(=O)c1cccc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])c1 ZINC001608264938 1019146774 /nfs/dbraw/zinc/14/67/74/1019146774.db2.gz SAZWKFFBBSSQKL-ONGXEEELSA-N -1 0 300.336 -0.646 20 0 DBADRM Nc1ccccc1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001608274749 1019147768 /nfs/dbraw/zinc/14/77/68/1019147768.db2.gz TVUYNJLYQSZGBI-UHFFFAOYSA-N -1 0 311.323 -0.463 20 0 DBADRM NS(=O)(=O)c1cccc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])c1 ZINC001608264937 1019149275 /nfs/dbraw/zinc/14/92/75/1019149275.db2.gz SAZWKFFBBSSQKL-GXSJLCMTSA-N -1 0 300.336 -0.646 20 0 DBADRM Nc1nccnc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608277016 1019149870 /nfs/dbraw/zinc/14/98/70/1019149870.db2.gz CWVVWGROFZNCBT-JBDRJPRFSA-N -1 0 319.321 -0.844 20 0 DBADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)NCC(=O)N1CCOCC1 ZINC001608286556 1019151523 /nfs/dbraw/zinc/15/15/23/1019151523.db2.gz YNMKPFFXSBBFSC-RQOWECAXSA-N -1 0 308.290 -0.034 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)/C=C/c1cncc(O)c1 ZINC001608289132 1019151909 /nfs/dbraw/zinc/15/19/09/1019151909.db2.gz QXJPSQWTMYAMGA-GXFZAYBSSA-N -1 0 303.278 -0.339 20 0 DBADRM Nc1ncn(CC(=O)N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)n1 ZINC001608278213 1019152195 /nfs/dbraw/zinc/15/21/95/1019152195.db2.gz WKXMQUVLUUSOIU-CQSZACIVSA-N -1 0 323.353 -0.531 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CC1(O)CCOCC1)[C@H]1CCOC1 ZINC001608291785 1019152328 /nfs/dbraw/zinc/15/23/28/1019152328.db2.gz ROPBTFGJBVZURC-WDEREUQCSA-N -1 0 301.339 -0.229 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)C2=CS(=O)(=O)CCC2)CC1 ZINC001608279240 1019152847 /nfs/dbraw/zinc/15/28/47/1019152847.db2.gz QXAGQGYILYVFPQ-UHFFFAOYSA-N -1 0 303.336 -0.483 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001502741084 1019153024 /nfs/dbraw/zinc/15/30/24/1019153024.db2.gz PEAQTQKJHBDCLM-IUCAKERBSA-N -1 0 310.354 -0.234 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)C[C@H]2COC(=O)C2)n1 ZINC001608296373 1019154051 /nfs/dbraw/zinc/15/40/51/1019154051.db2.gz ISEQKSYLVJLQLR-MRVPVSSYSA-N -1 0 308.294 -0.922 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001608296283 1019154378 /nfs/dbraw/zinc/15/43/78/1019154378.db2.gz GWLIBNNMRRFEQE-NXEZZACHSA-N -1 0 315.351 -0.723 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)CC2CCCC2)C1 ZINC001608294571 1019154887 /nfs/dbraw/zinc/15/48/87/1019154887.db2.gz WJBASCSNQXQIKL-NWDGAFQWSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001608296287 1019155451 /nfs/dbraw/zinc/15/54/51/1019155451.db2.gz GWLIBNNMRRFEQE-ZJUUUORDSA-N -1 0 315.351 -0.723 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001608296285 1019155852 /nfs/dbraw/zinc/15/58/52/1019155852.db2.gz GWLIBNNMRRFEQE-VHSXEESVSA-N -1 0 315.351 -0.723 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)NC[C@]1(C(=O)[O-])CCOC1 ZINC001608299203 1019156227 /nfs/dbraw/zinc/15/62/27/1019156227.db2.gz OZVHDHRALQPBNY-CQSZACIVSA-N -1 0 314.338 -0.767 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)CCC2CC2)C1 ZINC001608300081 1019156265 /nfs/dbraw/zinc/15/62/65/1019156265.db2.gz FYBWZSRVVOFGCW-WDEREUQCSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(NC(=O)CCn2ccnc2)CC1 ZINC001608324153 1019157807 /nfs/dbraw/zinc/15/78/07/1019157807.db2.gz RTXNPIKDOQJURN-QWRGUYRKSA-N -1 0 320.349 -0.241 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCNC(=O)c1cc2ccccc2[nH]1 ZINC001608311723 1019158037 /nfs/dbraw/zinc/15/80/37/1019158037.db2.gz RRIBEQMXQCBQKB-LBPRGKRZSA-N -1 0 319.317 -0.151 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NC[C@H]1CCCS1(=O)=O ZINC001608313342 1019158386 /nfs/dbraw/zinc/15/83/86/1019158386.db2.gz JPARTICNNHNWGJ-HBNTYKKESA-N -1 0 319.379 -0.050 20 0 DBADRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)CCn1cnccc1=O ZINC001608325253 1019158593 /nfs/dbraw/zinc/15/85/93/1019158593.db2.gz PSVZMCRLNXKFBN-WDEREUQCSA-N -1 0 309.322 -0.228 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCn1cnccc1=O)c1ccccn1 ZINC001608325531 1019158972 /nfs/dbraw/zinc/15/89/72/1019158972.db2.gz ZZTHCJCVSWZUDZ-ZDUSSCGKSA-N -1 0 302.290 -0.030 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)CCN2C(=O)CCNC2=S)C1 ZINC001608309678 1019159271 /nfs/dbraw/zinc/15/92/71/1019159271.db2.gz VOKFCTFGICRZFR-SECBINFHSA-N -1 0 311.363 -0.227 20 0 DBADRM O=C([O-])[C@H](CC1CC1)NC(=O)CCN1C(=O)CCNC1=S ZINC001608309708 1019159327 /nfs/dbraw/zinc/15/93/27/1019159327.db2.gz WEBJZYKMFDOWGN-VIFPVBQESA-N -1 0 313.379 -0.147 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)CCn2cnccc2=O)C1(F)F ZINC001608325232 1019159348 /nfs/dbraw/zinc/15/93/48/1019159348.db2.gz OQSBPRXFQWELQA-XVKPBYJWSA-N -1 0 301.249 -0.285 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)CCc2cn[nH]n2)CC1 ZINC001608317388 1019159532 /nfs/dbraw/zinc/15/95/32/1019159532.db2.gz WWOMKTTVRYRCHI-NXEZZACHSA-N -1 0 321.337 -0.777 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC001608311638 1019160520 /nfs/dbraw/zinc/16/05/20/1019160520.db2.gz ODYXUJYKHJXNSP-JTQLQIEISA-N -1 0 320.305 -0.756 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCCC2(CC2)S1(=O)=O)C1CC1 ZINC001608330273 1019161912 /nfs/dbraw/zinc/16/19/12/1019161912.db2.gz DCYITIRWIGSEIZ-NSHDSACASA-N -1 0 316.379 -0.076 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(CC(=O)NCC(F)(F)F)C2)nn1 ZINC001608328824 1019161957 /nfs/dbraw/zinc/16/19/57/1019161957.db2.gz BAUIGGVQPOSLOO-SSDOTTSWSA-N -1 0 321.259 -0.098 20 0 DBADRM O=C([O-])C1(NC(=O)CN2C[C@@H](O)[C@H](CO)C2)CCCCC1 ZINC001608327088 1019162267 /nfs/dbraw/zinc/16/22/67/1019162267.db2.gz CQNYQLBVVFRSDW-WDEREUQCSA-N -1 0 300.355 -0.825 20 0 DBADRM O=C([O-])c1ccc(NC(=O)CN2CCCNS2(=O)=O)cc1 ZINC001608330467 1019162594 /nfs/dbraw/zinc/16/25/94/1019162594.db2.gz BKAONRHNKTTXQC-UHFFFAOYSA-N -1 0 313.335 -0.137 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC001608330589 1019162838 /nfs/dbraw/zinc/16/28/38/1019162838.db2.gz NTUABTFDNZACAE-JTQLQIEISA-N -1 0 316.333 -0.985 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)OCCc2cnccn2)C1=O ZINC001608333700 1019163921 /nfs/dbraw/zinc/16/39/21/1019163921.db2.gz VXETUHOAWINQDD-LLVKDONJSA-N -1 0 307.306 -0.115 20 0 DBADRM O=C(CN1CCCCC(=O)C1=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001608331431 1019164152 /nfs/dbraw/zinc/16/41/52/1019164152.db2.gz RKFJRNSCLFYIOR-ZDUSSCGKSA-N -1 0 314.363 -0.356 20 0 DBADRM O=C(CN1CCOCC1)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001608334080 1019164480 /nfs/dbraw/zinc/16/44/80/1019164480.db2.gz WUWLLSYAQGTCNG-NEPJUHHUSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C(CN1CCCCC(=O)C1=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001608331973 1019164830 /nfs/dbraw/zinc/16/48/30/1019164830.db2.gz ZMQARRFSYOJEHS-AWEZNQCLSA-N -1 0 312.322 -0.825 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)OCCc2cnccn2)C1=O ZINC001608333701 1019164966 /nfs/dbraw/zinc/16/49/66/1019164966.db2.gz VXETUHOAWINQDD-NSHDSACASA-N -1 0 307.306 -0.115 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC001608338706 1019165657 /nfs/dbraw/zinc/16/56/57/1019165657.db2.gz LJEKSHFPOMIOEW-SECBINFHSA-N -1 0 302.233 -0.744 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)CNCC(F)(F)F ZINC001608341272 1019166223 /nfs/dbraw/zinc/16/62/23/1019166223.db2.gz CCDRLSGFTOSHCM-LURJTMIESA-N -1 0 300.233 -0.529 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N[C@H]1Cc2cncn2C1 ZINC001608348476 1019166271 /nfs/dbraw/zinc/16/62/71/1019166271.db2.gz RGJUFOHGUGBHBW-QMMMGPOBSA-N -1 0 306.278 -0.173 20 0 DBADRM O=C([O-])c1cccc(NC(=O)COC(=O)[C@H]2CCCC(=O)N2)n1 ZINC001608344689 1019166336 /nfs/dbraw/zinc/16/63/36/1019166336.db2.gz OADAHKHEOGLXRU-SECBINFHSA-N -1 0 321.289 -0.070 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC001608338708 1019166349 /nfs/dbraw/zinc/16/63/49/1019166349.db2.gz LJEKSHFPOMIOEW-VIFPVBQESA-N -1 0 302.233 -0.744 20 0 DBADRM O=C([O-])C1(CNC(=O)CNS(=O)(=O)c2cccnc2)CC1 ZINC001608340199 1019167156 /nfs/dbraw/zinc/16/71/56/1019167156.db2.gz YXDLISWPZXKAJE-UHFFFAOYSA-N -1 0 313.335 -0.659 20 0 DBADRM O=C(COc1ccccc1)NCC(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001608350605 1019167623 /nfs/dbraw/zinc/16/76/23/1019167623.db2.gz UOJOKTOPJZWSSD-AVCCJPFPSA-N -1 0 322.317 -0.724 20 0 DBADRM O=C(COCc1ocnc1C(=O)[O-])NCCCc1c[nH][nH]c1=O ZINC001608348673 1019167658 /nfs/dbraw/zinc/16/76/58/1019167658.db2.gz YZOQMWPDHOOBEY-MRVPVSSYSA-N -1 0 324.293 -0.482 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC001608352940 1019168583 /nfs/dbraw/zinc/16/85/83/1019168583.db2.gz LZNIEZXFBKLCHW-VIFPVBQESA-N -1 0 321.738 -0.325 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC001608356710 1019168709 /nfs/dbraw/zinc/16/87/09/1019168709.db2.gz WKEGELNXTNTPJD-VHSXEESVSA-N -1 0 323.280 -0.334 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)CC1C(=O)N=CNC1=O ZINC001608357535 1019168734 /nfs/dbraw/zinc/16/87/34/1019168734.db2.gz MQISQSQXXGBIFC-CBAPKCEASA-N -1 0 311.294 -0.431 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)Cc2cncnc2)C1 ZINC001608370000 1019168892 /nfs/dbraw/zinc/16/88/92/1019168892.db2.gz QTMMCOBTQKKATO-WRWGMCAJSA-N -1 0 318.333 -0.497 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CC1C(=O)N=CNC1=O)[C@H]1CCOC1 ZINC001608357188 1019169080 /nfs/dbraw/zinc/16/90/80/1019169080.db2.gz FHMCGVMMPDEDAX-IONNQARKSA-N -1 0 311.294 -0.716 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1F ZINC001608356068 1019169777 /nfs/dbraw/zinc/16/97/77/1019169777.db2.gz CBRVVUCEXGIYDM-WPRPVWTQSA-N -1 0 309.253 -0.334 20 0 DBADRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)CC1C(=O)N=CNC1=O ZINC001608357539 1019169871 /nfs/dbraw/zinc/16/98/71/1019169871.db2.gz MQISQSQXXGBIFC-VXNVDRBHSA-N -1 0 311.294 -0.431 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Cc2ccn(CC(F)(F)F)n2)C1 ZINC001608369478 1019170005 /nfs/dbraw/zinc/17/00/05/1019170005.db2.gz OMXJHTNISAQICT-UHFFFAOYSA-N -1 0 307.228 -0.354 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)Cc2cncnc2)C1 ZINC001608369997 1019170088 /nfs/dbraw/zinc/17/00/88/1019170088.db2.gz QTMMCOBTQKKATO-KXNHARMFSA-N -1 0 318.333 -0.497 20 0 DBADRM O=C(NCCN1CCNC1=S)c1ccc2oc(=O)nc-2[n-]1 ZINC001608353508 1019170656 /nfs/dbraw/zinc/17/06/56/1019170656.db2.gz UIAXRVFBECKELX-UHFFFAOYSA-N -1 0 307.335 -0.152 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)Cc3c[nH]cn3)CC2)n1 ZINC001608369654 1019170816 /nfs/dbraw/zinc/17/08/16/1019170816.db2.gz DXJNLDCAWIBDGE-UHFFFAOYSA-N -1 0 316.321 -0.377 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)Cc2cncnc2)C1 ZINC001608369993 1019171005 /nfs/dbraw/zinc/17/10/05/1019171005.db2.gz QTMMCOBTQKKATO-BJDJZHNGSA-N -1 0 318.333 -0.497 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)CC2C(=O)N=CNC2=O)C1(F)F ZINC001608357194 1019171093 /nfs/dbraw/zinc/17/10/93/1019171093.db2.gz FSSCNCQYYXFTIP-FSPLSTOPSA-N -1 0 303.221 -0.488 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(NC(=O)Cc2ncccc2F)C1 ZINC001608371906 1019172597 /nfs/dbraw/zinc/17/25/97/1019172597.db2.gz YCFPVBBESNSOLW-ZJUUUORDSA-N -1 0 321.308 -0.189 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)Cc3ncc[nH]3)C2)n1 ZINC001608371469 1019172625 /nfs/dbraw/zinc/17/26/25/1019172625.db2.gz LVKMSZMPQGWYAN-VIFPVBQESA-N -1 0 316.321 -0.165 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)Cc2ncc[nH]2)CC1 ZINC001608371292 1019172641 /nfs/dbraw/zinc/17/26/41/1019172641.db2.gz FERLDPIIRHIRSG-WDEREUQCSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])c1cnc(N[C@@H]2C[C@H](NC(=O)Cc3nc[nH]n3)C2)nc1 ZINC001608371627 1019172855 /nfs/dbraw/zinc/17/28/55/1019172855.db2.gz OXZQJJGDWGAOQR-DTORHVGOSA-N -1 0 317.309 -0.405 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NC[C@@H]2CCCCS2(=O)=O)c1 ZINC001608374893 1019172989 /nfs/dbraw/zinc/17/29/89/1019172989.db2.gz HNLPDXWTWHRBBE-JTQLQIEISA-N -1 0 315.351 -0.335 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)Cc1cnn(-c2ccccc2)n1 ZINC001608370073 1019173708 /nfs/dbraw/zinc/17/37/08/1019173708.db2.gz VFEKBTHAHHMMKV-LBPRGKRZSA-N -1 0 304.306 -0.238 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)Cn1cc(Cl)cn1 ZINC001608376994 1019174719 /nfs/dbraw/zinc/17/47/19/1019174719.db2.gz GDAGAHZYGQFBNK-MRVPVSSYSA-N -1 0 303.702 -0.131 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)c1cncc2[nH]cnc21 ZINC001608396125 1019177918 /nfs/dbraw/zinc/17/79/18/1019177918.db2.gz KMAGWCXWMYSNSX-QMMMGPOBSA-N -1 0 306.278 -0.096 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001608401536 1019177959 /nfs/dbraw/zinc/17/79/59/1019177959.db2.gz CSHRIOYKYZGCOU-VIFPVBQESA-N -1 0 318.293 -0.466 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC001608396219 1019178412 /nfs/dbraw/zinc/17/84/12/1019178412.db2.gz ZUCLVMKZDUDVOO-LLVKDONJSA-N -1 0 321.264 -0.453 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001608396706 1019178762 /nfs/dbraw/zinc/17/87/62/1019178762.db2.gz OPVCJEMOCHIHRT-LDYMZIIASA-N -1 0 309.322 -0.153 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)[C@@H]1CCc2nncn2CC1 ZINC001608397655 1019179500 /nfs/dbraw/zinc/17/95/00/1019179500.db2.gz XIKYTXRXCZUIIP-ZJUUUORDSA-N -1 0 324.337 -0.437 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001608402649 1019179583 /nfs/dbraw/zinc/17/95/83/1019179583.db2.gz JNASUAIACRDGHW-GZMMTYOYSA-N -1 0 304.310 -0.624 20 0 DBADRM O=C([O-])C1(NC(=O)C2=CS(=O)(=O)CCC2)CCOCC1 ZINC001608405056 1019180249 /nfs/dbraw/zinc/18/02/49/1019180249.db2.gz HMYLQZGWXKVIAI-UHFFFAOYSA-N -1 0 303.336 -0.171 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001608397308 1019180619 /nfs/dbraw/zinc/18/06/19/1019180619.db2.gz TYDWPWMWUFUPSW-VHSXEESVSA-N -1 0 309.322 -0.222 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)N[C@H]2CC=CCC2)CC1 ZINC001608408701 1019181320 /nfs/dbraw/zinc/18/13/20/1019181320.db2.gz JMTOTUDOJQNKBX-RYUDHWBXSA-N -1 0 310.350 -0.105 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC001608411198 1019181610 /nfs/dbraw/zinc/18/16/10/1019181610.db2.gz VGHYSTAZNXIHND-UWVGGRQHSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)c3ccn[nH]3)C2)n1 ZINC001608413579 1019181680 /nfs/dbraw/zinc/18/16/80/1019181680.db2.gz ZCGYNUMTMNTMTL-QMMMGPOBSA-N -1 0 302.294 -0.093 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N[C@@H]2CCCc3sccc32)C1 ZINC001608410912 1019181931 /nfs/dbraw/zinc/18/19/31/1019181931.db2.gz JISMNSBVNGDFFU-SECBINFHSA-N -1 0 324.358 -0.100 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)C1 ZINC001608413085 1019182061 /nfs/dbraw/zinc/18/20/61/1019182061.db2.gz TVCURNCEHDUNHL-BXKDBHETSA-N -1 0 316.379 -0.118 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)N[C@@H]2CCCC23CC3)C1 ZINC001608408791 1019182079 /nfs/dbraw/zinc/18/20/79/1019182079.db2.gz CMLHDWWVIGSCON-GARJFASQSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2cnccn2)CC1 ZINC001608409420 1019182115 /nfs/dbraw/zinc/18/21/15/1019182115.db2.gz AWGZKZKUBFTFRM-MNOVXSKESA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)CNC(=O)c1cccs1 ZINC001608414403 1019182288 /nfs/dbraw/zinc/18/22/88/1019182288.db2.gz GBEQEVLUICCWDP-KCJUWKMLSA-N -1 0 312.347 -0.086 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2ccc(F)cn2)C1 ZINC001608414058 1019183057 /nfs/dbraw/zinc/18/30/57/1019183057.db2.gz PGGAJYJNONHYRO-VHSXEESVSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC001608407465 1019183534 /nfs/dbraw/zinc/18/35/34/1019183534.db2.gz IALUJGNXYNHUEX-XWLWVQCSSA-N -1 0 323.349 -0.765 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)C2=CCOCC2)nc1 ZINC001608422321 1019185279 /nfs/dbraw/zinc/18/52/79/1019185279.db2.gz WMDDLCRJIZULGU-NSHDSACASA-N -1 0 322.321 -0.590 20 0 DBADRM O=C([O-])c1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](O)CO ZINC001608423522 1019185639 /nfs/dbraw/zinc/18/56/39/1019185639.db2.gz BAEUVKLTUUWUHT-SSDOTTSWSA-N -1 0 316.697 -0.554 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)C2=CS(=O)(=O)CCC2)CCOC1 ZINC001608427735 1019186066 /nfs/dbraw/zinc/18/60/66/1019186066.db2.gz CIXLKBBGUJOHEO-LBPRGKRZSA-N -1 0 303.336 -0.314 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)C2CC=CC2)C1 ZINC001608430229 1019186159 /nfs/dbraw/zinc/18/61/59/1019186159.db2.gz JGWLIFVSYUEVDP-MNOVXSKESA-N -1 0 308.334 -0.637 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)c2cnsn2)CC1 ZINC001608429304 1019186180 /nfs/dbraw/zinc/18/61/80/1019186180.db2.gz ANNNWZVYRDVEKJ-RQJHMYQMSA-N -1 0 310.335 -0.363 20 0 DBADRM O=C(NC[C@H]1CCCS(=O)(=O)C1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001608434867 1019187188 /nfs/dbraw/zinc/18/71/88/1019187188.db2.gz PIBSKTONJYCZSM-BBBLOLIVSA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001608437994 1019188277 /nfs/dbraw/zinc/18/82/77/1019188277.db2.gz FJZATWYAHAORRH-VHSXEESVSA-N -1 0 320.305 -0.909 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC001608431891 1019189023 /nfs/dbraw/zinc/18/90/23/1019189023.db2.gz HQZFTRJYZPUFLP-KKOKHZNYSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@@H]2CCC=CO2)C1 ZINC001608435066 1019189158 /nfs/dbraw/zinc/18/91/58/1019189158.db2.gz JGWDQRZQNCKOOK-VWYCJHECSA-N -1 0 312.322 -0.911 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@H]2CCCNC2=O)n1 ZINC001608434215 1019189305 /nfs/dbraw/zinc/18/93/05/1019189305.db2.gz JLLWVCMQDCPSNW-MRVPVSSYSA-N -1 0 320.305 -0.639 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](O)C2)n1 ZINC001608433735 1019189404 /nfs/dbraw/zinc/18/94/04/1019189404.db2.gz BODPQXHASOVFAP-RKDXNWHRSA-N -1 0 307.306 -0.005 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)NCCN2CCCS2(=O)=O)C1 ZINC001608446269 1019190668 /nfs/dbraw/zinc/19/06/68/1019190668.db2.gz LZLUSZUCEJEALB-SNVBAGLBSA-N -1 0 317.367 -0.506 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC001608452141 1019190909 /nfs/dbraw/zinc/19/09/09/1019190909.db2.gz KLNIRHRXUUZPCX-UHFFFAOYSA-N -1 0 322.317 -0.159 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCNC(=O)c2cccnc2)O1 ZINC001608446130 1019191392 /nfs/dbraw/zinc/19/13/92/1019191392.db2.gz ZWGABWSGHPRGMY-MNOVXSKESA-N -1 0 307.306 -0.440 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCCc2ccco2)C1 ZINC001608454525 1019191449 /nfs/dbraw/zinc/19/14/49/1019191449.db2.gz KPRUNIWQTVJPLT-ZJUUUORDSA-N -1 0 310.306 -0.768 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001608456745 1019192212 /nfs/dbraw/zinc/19/22/12/1019192212.db2.gz ATENGJNSPSSJHM-KXUCPTDWSA-N -1 0 302.302 -0.447 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001608460248 1019192603 /nfs/dbraw/zinc/19/26/03/1019192603.db2.gz FBJKEGKOQHJDIN-JHJVBQTASA-N -1 0 323.393 -0.090 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)NC[C@]23C[C@H]2CCC3)CC1 ZINC001608458062 1019193107 /nfs/dbraw/zinc/19/31/07/1019193107.db2.gz YYMJQVKQCRRIGV-HSMVNMDESA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC001608461748 1019194048 /nfs/dbraw/zinc/19/40/48/1019194048.db2.gz ZZGFCXRFIPPSRQ-KBVBSXBZSA-N -1 0 311.338 -0.461 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)c2cnsn2)C1 ZINC001608461260 1019194149 /nfs/dbraw/zinc/19/41/49/1019194149.db2.gz RZDRPXXCFFXVRO-FNCVBFRFSA-N -1 0 324.362 -0.117 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2C[C@@H](NC(=O)c3cocn3)C2)n1 ZINC001608492559 1019195121 /nfs/dbraw/zinc/19/51/21/1019195121.db2.gz LDZXIPRGYBZRDF-ZKCHVHJHSA-N -1 0 303.278 -0.042 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001608491657 1019195329 /nfs/dbraw/zinc/19/53/29/1019195329.db2.gz LZNWQVGDJLLXAQ-BZNPZCIMSA-N -1 0 320.305 -0.720 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001608492576 1019196279 /nfs/dbraw/zinc/19/62/79/1019196279.db2.gz LLWNINOPGZHWEC-NAKRPEOUSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)c1cnn2ncccc12 ZINC001608487031 1019196465 /nfs/dbraw/zinc/19/64/65/1019196465.db2.gz MOEZNCJWKNHVOT-SNVBAGLBSA-N -1 0 300.278 -0.122 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)C1 ZINC001608491049 1019197083 /nfs/dbraw/zinc/19/70/83/1019197083.db2.gz PBWNZEVFEYMRRX-XWLWVQCSSA-N -1 0 316.379 -0.074 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NS(=O)(=O)[C@H]1CCOC1 ZINC001608533349 1019200148 /nfs/dbraw/zinc/20/01/48/1019200148.db2.gz BMYHNZMUKHWOLR-DTWKUNHWSA-N -1 0 309.340 -0.699 20 0 DBADRM O=C([O-])[C@H](CC(F)(F)F)NS(=O)(=O)N1CCCOCC1 ZINC001608530374 1019201904 /nfs/dbraw/zinc/20/19/04/1019201904.db2.gz SJFXREBHRPRSCZ-ZETCQYMHSA-N -1 0 320.289 -0.051 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@]1(O)CCOC1)Cc1ccc(O)cc1 ZINC001608535420 1019202439 /nfs/dbraw/zinc/20/24/39/1019202439.db2.gz KYIHLTBYBLNKJH-NHYWBVRUSA-N -1 0 309.318 -0.097 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)NOC[C@H]2CCOC2)CC1 ZINC001608556278 1019203824 /nfs/dbraw/zinc/20/38/24/1019203824.db2.gz ZIFMJIAYZAXJIN-GXSJLCMTSA-N -1 0 302.327 -0.178 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(S(=O)(=O)CCn2cccn2)CC1 ZINC001608557521 1019204051 /nfs/dbraw/zinc/20/40/51/1019204051.db2.gz NCRSZNHVNZZCNH-NSHDSACASA-N -1 0 317.367 -0.630 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC001608555636 1019204150 /nfs/dbraw/zinc/20/41/50/1019204150.db2.gz XOLUVZKEYOJGAW-JQWIXIFHSA-N -1 0 323.353 -0.690 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)CCN2CCOCC2)CC1 ZINC001608554513 1019204286 /nfs/dbraw/zinc/20/42/86/1019204286.db2.gz QNWDYXLCFQYZIY-ZDUSSCGKSA-N -1 0 300.355 -0.607 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(Cc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC001608557868 1019204476 /nfs/dbraw/zinc/20/44/76/1019204476.db2.gz PTAHMTLRMXMAOZ-BXUZGUMPSA-N -1 0 324.381 -0.028 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)NCC[C@]2(O)CCOC2)CC1 ZINC001608554276 1019204844 /nfs/dbraw/zinc/20/48/44/1019204844.db2.gz HHOJPQSGXMLQOM-FZMZJTMJSA-N -1 0 316.354 -0.605 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)NCC[C@]2(O)CCOC2)CC1 ZINC001608554283 1019205135 /nfs/dbraw/zinc/20/51/35/1019205135.db2.gz HHOJPQSGXMLQOM-RISCZKNCSA-N -1 0 316.354 -0.605 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(Cc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC001608557870 1019205249 /nfs/dbraw/zinc/20/52/49/1019205249.db2.gz PTAHMTLRMXMAOZ-RISCZKNCSA-N -1 0 324.381 -0.028 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)c2cnc3n2CCOC3)CC1 ZINC001608556420 1019205501 /nfs/dbraw/zinc/20/55/01/1019205501.db2.gz AUABSNKJFVCUCB-GFCCVEGCSA-N -1 0 309.322 -0.289 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(S(=O)(=O)c2ccns2)CC1 ZINC001608557800 1019205925 /nfs/dbraw/zinc/20/59/25/1019205925.db2.gz OEBJHRUYWCXLNA-VIFPVBQESA-N -1 0 306.365 -0.011 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)CC[C@@H]2CCCCO2)C1 ZINC001608578378 1019206723 /nfs/dbraw/zinc/20/67/23/1019206723.db2.gz FOUBHKQAYWDIOV-CMPLNLGQSA-N -1 0 307.368 -0.203 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CCOCC3(CC3)C2)C1 ZINC001608587459 1019211902 /nfs/dbraw/zinc/21/19/02/1019211902.db2.gz RZPOYXTUBRCSOA-NSHDSACASA-N -1 0 308.334 -0.085 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](C(F)F)C2)C1 ZINC001608586159 1019212629 /nfs/dbraw/zinc/21/26/29/1019212629.db2.gz HRIFTKAGDVNTLF-RKDXNWHRSA-N -1 0 318.276 -0.232 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001608594139 1019212840 /nfs/dbraw/zinc/21/28/40/1019212840.db2.gz AYQKMORKAXLBMX-YWVKMMECSA-N -1 0 303.336 -0.629 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)C1 ZINC001608586102 1019213140 /nfs/dbraw/zinc/21/31/40/1019213140.db2.gz HBPWIKWXKBEYLE-NSHDSACASA-N -1 0 307.350 -0.417 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)C1 ZINC001608586959 1019213844 /nfs/dbraw/zinc/21/38/44/1019213844.db2.gz NSXZMIFGZUGDMB-SRVKXCTJSA-N -1 0 318.333 -0.294 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CCOCC3(CC3)C2)C1 ZINC001608587458 1019213888 /nfs/dbraw/zinc/21/38/88/1019213888.db2.gz RZPOYXTUBRCSOA-LLVKDONJSA-N -1 0 308.334 -0.085 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@H]2CCCN(C3CC3)C2=O)C1 ZINC001608601056 1019214574 /nfs/dbraw/zinc/21/45/74/1019214574.db2.gz IJZSXIVSUMLRIY-YUSALJHKSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2cnc3nccnc3c2)C1 ZINC001608601701 1019214895 /nfs/dbraw/zinc/21/48/95/1019214895.db2.gz MCQKWTOZDSHPRQ-VHSXEESVSA-N -1 0 302.290 -0.068 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001608599373 1019215649 /nfs/dbraw/zinc/21/56/49/1019215649.db2.gz AXLACOLPZQUXCM-MXWKQRLJSA-N -1 0 308.338 -0.475 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(S(=O)(=O)c2c[nH]nc2Cl)C1 ZINC001608601329 1019216484 /nfs/dbraw/zinc/21/64/84/1019216484.db2.gz IYEJRBSDCKPGOG-RITPCOANSA-N -1 0 309.731 -0.481 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2cccnc2OCCO)C1 ZINC001608602392 1019216736 /nfs/dbraw/zinc/21/67/36/1019216736.db2.gz SQHHLKRVYGOTFE-ZJUUUORDSA-N -1 0 310.306 -0.640 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(CC(=O)N2CCC2)CC1 ZINC001608609664 1019218210 /nfs/dbraw/zinc/21/82/10/1019218210.db2.gz CKLFFNYGYZFVBV-NWDGAFQWSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1cc[nH]c1 ZINC001608609593 1019218993 /nfs/dbraw/zinc/21/89/93/1019218993.db2.gz CPBNMBFGLBHVBW-GHMZBOCLSA-N -1 0 309.322 -0.714 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)Cn2ccnc2)CC1 ZINC001608609482 1019219344 /nfs/dbraw/zinc/21/93/44/1019219344.db2.gz AUXVXHIAORZUFI-WDEREUQCSA-N -1 0 306.322 -0.725 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cnsn2)CC1 ZINC001608610061 1019220689 /nfs/dbraw/zinc/22/06/89/1019220689.db2.gz GEEJHJUYIYDXOZ-SFYZADRCSA-N -1 0 310.335 -0.457 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(CCO)CCOCCO)C1 ZINC001608620863 1019227663 /nfs/dbraw/zinc/22/76/63/1019227663.db2.gz UJEDMPBECDOPTM-VXGBXAGGSA-N -1 0 303.355 -0.293 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)C2CCOCC2)C1 ZINC001608610844 1019220894 /nfs/dbraw/zinc/22/08/94/1019220894.db2.gz LDBBDPNICBXSBH-NWDGAFQWSA-N -1 0 310.350 -0.292 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cnc3n2CCC3)C1 ZINC001608609682 1019220997 /nfs/dbraw/zinc/22/09/97/1019220997.db2.gz CUEUTJPNZHXQMB-ZJUUUORDSA-N -1 0 318.333 -0.509 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]n1 ZINC001608610091 1019221375 /nfs/dbraw/zinc/22/13/75/1019221375.db2.gz GTPKKMDHOGSBQL-LMLFDSFASA-N -1 0 318.333 -0.054 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnns3)C[C@H]21 ZINC001608609974 1019222021 /nfs/dbraw/zinc/22/20/21/1019222021.db2.gz GNPSRIKGXHZXMR-UFNQKSLJSA-N -1 0 322.346 -0.555 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2n[nH]cc2F)CC1 ZINC001608610222 1019223485 /nfs/dbraw/zinc/22/34/85/1019223485.db2.gz HCJMIXWPIAATJW-YUMQZZPRSA-N -1 0 310.285 -0.446 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)C2CCOCC2)C1 ZINC001608610846 1019223533 /nfs/dbraw/zinc/22/35/33/1019223533.db2.gz LDBBDPNICBXSBH-VXGBXAGGSA-N -1 0 310.350 -0.292 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2ncccn2)CC1 ZINC001608611377 1019224427 /nfs/dbraw/zinc/22/44/27/1019224427.db2.gz PDKINWGHFVGJPV-GHMZBOCLSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)C2=CCOCC2)C1 ZINC001608611989 1019225215 /nfs/dbraw/zinc/22/52/15/1019225215.db2.gz SFFLUUBBHOMLQL-NWDGAFQWSA-N -1 0 308.334 -0.372 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cnsn3)C[C@H]21 ZINC001608611217 1019225366 /nfs/dbraw/zinc/22/53/66/1019225366.db2.gz QADJTEQGKLVPCX-LADJIXMOSA-N -1 0 308.363 -0.195 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]n1 ZINC001608611091 1019225720 /nfs/dbraw/zinc/22/57/20/1019225720.db2.gz NEERDDOXSQZTHN-JXUBOQSCSA-N -1 0 319.321 -0.659 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(F)cn3)C[C@H]21 ZINC001608612029 1019225947 /nfs/dbraw/zinc/22/59/47/1019225947.db2.gz XREVUNXWRLJPNJ-BLHGMNIDSA-N -1 0 306.297 -0.113 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(Cc2nnc(C3CC3)[nH]2)C1 ZINC001608611777 1019226464 /nfs/dbraw/zinc/22/64/64/1019226464.db2.gz RHEAGMCBDANHEN-ZJUUUORDSA-N -1 0 305.338 -0.297 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCOC2(CN(C(=O)C(F)F)C2)C1 ZINC001608612375 1019227980 /nfs/dbraw/zinc/22/79/80/1019227980.db2.gz VEJXEFISLCYEAE-HTQZYQBOSA-N -1 0 318.276 -0.588 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2ccnc(F)c2)C1 ZINC001608612599 1019228355 /nfs/dbraw/zinc/22/83/55/1019228355.db2.gz XTZFVNXFCMNOCQ-NXEZZACHSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]2C(=O)N(CC[C@@]3(O)CCOC3)C(=O)N2C1 ZINC001608620743 1019228578 /nfs/dbraw/zinc/22/85/78/1019228578.db2.gz RLYKGZDYPDXORA-ISTVAULSSA-N -1 0 312.322 -0.345 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001608612419 1019228648 /nfs/dbraw/zinc/22/86/48/1019228648.db2.gz VSOVUICAMQCSRN-BDAKNGLRSA-N -1 0 320.305 -0.909 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2ccnc(F)c2)C1 ZINC001608612602 1019229570 /nfs/dbraw/zinc/22/95/70/1019229570.db2.gz XTZFVNXFCMNOCQ-ZJUUUORDSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cocn3)C[C@H]21 ZINC001608612213 1019229871 /nfs/dbraw/zinc/22/98/71/1019229871.db2.gz YWOMEFXUJJDYRP-KSFAHDSMSA-N -1 0 305.290 -0.418 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC(F)(F)C[C@@H]2CO)C1=O ZINC001608630149 1019231863 /nfs/dbraw/zinc/23/18/63/1019231863.db2.gz ZRAZWOMAYKFCPP-RKDXNWHRSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCC[C@](O)(CO)C1 ZINC001608626931 1019232635 /nfs/dbraw/zinc/23/26/35/1019232635.db2.gz PHBKWXSCMNXQTP-NTZNESFSSA-N -1 0 321.395 -0.221 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCO[C@H](CCF)C2)C1=O ZINC001608629829 1019232852 /nfs/dbraw/zinc/23/28/52/1019232852.db2.gz SYSXRZBBRIAAMR-MNOVXSKESA-N -1 0 316.329 -0.103 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCC2CC3(C2)OCCO3)CCO1 ZINC001608643395 1019233553 /nfs/dbraw/zinc/23/35/53/1019233553.db2.gz RXQVNRBKUARHGO-SNVBAGLBSA-N -1 0 300.311 -0.366 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2C[C@H]2CC[C@H](C3CC3)O2)CCO1 ZINC001608646108 1019233898 /nfs/dbraw/zinc/23/38/98/1019233898.db2.gz IDXLFGNKVZXQGY-UTUOFQBUSA-N -1 0 323.353 -0.080 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC2CN(c3ccncn3)C2)CCO1 ZINC001608643356 1019234292 /nfs/dbraw/zinc/23/42/92/1019234292.db2.gz NMOVLWRSTAGAPS-JTQLQIEISA-N -1 0 307.310 -0.840 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2COc3ccc(O)cc3O2)CCO1 ZINC001608642803 1019234530 /nfs/dbraw/zinc/23/45/30/1019234530.db2.gz XBXAZDPNMNHWKF-RYUDHWBXSA-N -1 0 309.274 -0.156 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N(CCCn3cncn3)C(=O)[C@H]2C1 ZINC001608639876 1019234575 /nfs/dbraw/zinc/23/45/75/1019234575.db2.gz IDMDMRHBHCJUHU-NXEZZACHSA-N -1 0 307.310 -0.204 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1cncs1 ZINC001608647607 1019235702 /nfs/dbraw/zinc/23/57/02/1019235702.db2.gz JHEFTDDARVQRGU-QMMMGPOBSA-N -1 0 304.349 -0.604 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)NC[C@@H]2COCCO2)C1 ZINC001608648296 1019236376 /nfs/dbraw/zinc/23/63/76/1019236376.db2.gz VYBWDHYQZALLDZ-VHSXEESVSA-N -1 0 304.368 -0.139 20 0 DBADRM O=C([O-])/C=C1/SCC(=O)N1CCCN1CCn2ncnc2C1 ZINC001608655776 1019236793 /nfs/dbraw/zinc/23/67/93/1019236793.db2.gz LLOZAMUMPJXMJH-WUXMJOGZSA-N -1 0 323.378 -0.015 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)CCCS(=O)(=O)N1CCCC1 ZINC001608675172 1019237636 /nfs/dbraw/zinc/23/76/36/1019237636.db2.gz CQRVRWRSISNZQE-JTQLQIEISA-N -1 0 322.383 -0.856 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CCO)C1CC1 ZINC001608664882 1019237720 /nfs/dbraw/zinc/23/77/20/1019237720.db2.gz NDECOMNKHYFDAM-NWDGAFQWSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(n1)CCC2 ZINC001608675040 1019237798 /nfs/dbraw/zinc/23/77/98/1019237798.db2.gz AZFJSHSBMQWKAU-SECBINFHSA-N -1 0 307.306 -0.539 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC001608675016 1019237858 /nfs/dbraw/zinc/23/78/58/1019237858.db2.gz AVDVGVKTEBOSHD-KCJUWKMLSA-N -1 0 308.290 -0.272 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC001608674914 1019238436 /nfs/dbraw/zinc/23/84/36/1019238436.db2.gz CTIVDVFJEZJVNP-UWVGGRQHSA-N -1 0 312.326 -0.123 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)NCCN1CCNC(=O)C1)C1CC1 ZINC001608667209 1019238702 /nfs/dbraw/zinc/23/87/02/1019238702.db2.gz YXTKTQYTCDYGJX-NSHDSACASA-N -1 0 312.370 -0.782 20 0 DBADRM O=C([O-])CC1(NC(=O)Cn2cccn2)CCS(=O)(=O)CC1 ZINC001608683847 1019239817 /nfs/dbraw/zinc/23/98/17/1019239817.db2.gz LSIFVVWSTGKHNA-UHFFFAOYSA-N -1 0 315.351 -0.579 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1scnc1C1CC1 ZINC001608676492 1019240555 /nfs/dbraw/zinc/24/05/55/1019240555.db2.gz UVCDIPJVOVMJID-ZETCQYMHSA-N -1 0 313.335 -0.089 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)CNC(=O)OCC(F)(F)F ZINC001608676289 1019240752 /nfs/dbraw/zinc/24/07/52/1019240752.db2.gz QPNMCQTYFYHBTQ-RXMQYKEDSA-N -1 0 302.205 -0.773 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Cn1ncc2ccccc2c1=O ZINC001608676007 1019240936 /nfs/dbraw/zinc/24/09/36/1019240936.db2.gz NJPSPWOWPBKVPX-SNVBAGLBSA-N -1 0 305.290 -0.652 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1scnc1C1CC1 ZINC001608676491 1019241120 /nfs/dbraw/zinc/24/11/20/1019241120.db2.gz UVCDIPJVOVMJID-SSDOTTSWSA-N -1 0 313.335 -0.089 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC001608676258 1019241259 /nfs/dbraw/zinc/24/12/59/1019241259.db2.gz QBDSMRNBXVAILG-SNVBAGLBSA-N -1 0 316.260 -0.354 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)C1 ZINC001608690373 1019243710 /nfs/dbraw/zinc/24/37/10/1019243710.db2.gz KBMYVIDEIQWVTE-AMDVSUOASA-N -1 0 320.292 -0.416 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1CC(=O)N1CCOC[C@H]1C1CC1 ZINC001608700994 1019245134 /nfs/dbraw/zinc/24/51/34/1019245134.db2.gz FYDFXVUERXYNFJ-OLZOCXBDSA-N -1 0 312.366 -0.201 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC001608698376 1019245346 /nfs/dbraw/zinc/24/53/46/1019245346.db2.gz CGAOIVCLZDOUNE-NXEZZACHSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)c1ccnc2[nH]c(=O)[nH]c21 ZINC001608701212 1019245919 /nfs/dbraw/zinc/24/59/19/1019245919.db2.gz RLRUNJWFWIBEHC-ZETCQYMHSA-N -1 0 306.278 -0.021 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCCc2ccoc2)CCO1 ZINC001608698399 1019245999 /nfs/dbraw/zinc/24/59/99/1019245999.db2.gz CSWGOIDMQPNZTM-LLVKDONJSA-N -1 0 310.306 -0.360 20 0 DBADRM O=C([O-])CCCCCCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001608710867 1019247324 /nfs/dbraw/zinc/24/73/24/1019247324.db2.gz SYOFBLLWWSGCMM-UHFFFAOYSA-N -1 0 320.411 -0.132 20 0 DBADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C(=O)N2CC=C[C@@H]2CO)C1 ZINC001608707122 1019247708 /nfs/dbraw/zinc/24/77/08/1019247708.db2.gz LBHVWMAPRYOFJC-NWDGAFQWSA-N -1 0 310.350 -0.151 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1ncnc2[nH]ccc21 ZINC001574729111 1019248170 /nfs/dbraw/zinc/24/81/70/1019248170.db2.gz DMIYTMZQOFHIJV-UHFFFAOYSA-N -1 0 308.294 -0.243 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCC=CO1 ZINC001608702633 1019248127 /nfs/dbraw/zinc/24/81/27/1019248127.db2.gz VIKWCHBLZYLTJC-NXEZZACHSA-N -1 0 303.336 -0.221 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)CCC(=O)N1CCOCC1 ZINC001608701396 1019248983 /nfs/dbraw/zinc/24/89/83/1019248983.db2.gz AQGFIXRWYNWZFA-NSHDSACASA-N -1 0 314.338 -0.673 20 0 DBADRM O=C([O-])C[C@H]1CN(c2nnnn2CC2CCOCC2)CCO1 ZINC001608701866 1019249075 /nfs/dbraw/zinc/24/90/75/1019249075.db2.gz RIITUWJDAHXYNE-NSHDSACASA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])CCCc1nc(CN2C(=O)NC3(CC(O)C3)C2=O)no1 ZINC001608718909 1019249740 /nfs/dbraw/zinc/24/97/40/1019249740.db2.gz GUNAUIMNPVJSRJ-UHFFFAOYSA-N -1 0 324.293 -0.578 20 0 DBADRM O=C([O-])CCCCNC(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001608713008 1019250043 /nfs/dbraw/zinc/25/00/43/1019250043.db2.gz DHOPKBJGTJKVRV-ZDUSSCGKSA-N -1 0 315.326 -0.238 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001608721269 1019250066 /nfs/dbraw/zinc/25/00/66/1019250066.db2.gz GYHRWCFMMMOLET-BDAKNGLRSA-N -1 0 313.310 -0.933 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC001608712743 1019251086 /nfs/dbraw/zinc/25/10/86/1019251086.db2.gz OBKXQLIOSQSCOE-QMMMGPOBSA-N -1 0 308.281 -0.414 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)C[C@H]2CCC(=O)NC2)C1=O ZINC001608724027 1019254891 /nfs/dbraw/zinc/25/48/91/1019254891.db2.gz DSTBVZGSKDEKPM-NXEZZACHSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCc1csc(NC(=O)CCNC(=O)CO)n1 ZINC001608741685 1019257322 /nfs/dbraw/zinc/25/73/22/1019257322.db2.gz WZAOZJGGTQFEOM-UHFFFAOYSA-N -1 0 301.324 -0.403 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC001608728047 1019257363 /nfs/dbraw/zinc/25/73/63/1019257363.db2.gz OIGZPUILIGLHLO-MNOVXSKESA-N -1 0 313.354 -0.308 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@H](CCO)C1CC1 ZINC001608727867 1019258187 /nfs/dbraw/zinc/25/81/87/1019258187.db2.gz HULXRWRNVNJLQV-SNVBAGLBSA-N -1 0 301.343 -0.572 20 0 DBADRM O=C([O-])CN1CCN(C(=O)[C@H]2CC(c3cccnc3)=NO2)CC1 ZINC001608748527 1019259880 /nfs/dbraw/zinc/25/98/80/1019259880.db2.gz FDNYFQTXJRAERC-CYBMUJFWSA-N -1 0 318.333 -0.197 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCc1nc2ccccc2oc1=O ZINC001574806255 1019259725 /nfs/dbraw/zinc/25/97/25/1019259725.db2.gz YFPYBWMDDVXELU-JTQLQIEISA-N -1 0 306.274 -0.318 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)CCc1cnccn1 ZINC001608750273 1019261449 /nfs/dbraw/zinc/26/14/49/1019261449.db2.gz HVPQMWKGEHOKSX-LLVKDONJSA-N -1 0 306.322 -0.399 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1 ZINC001574813606 1019261651 /nfs/dbraw/zinc/26/16/51/1019261651.db2.gz QBHGPYTVHBFQTG-LLVKDONJSA-N -1 0 323.280 -0.130 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCc2nccn2C1 ZINC001608750046 1019261937 /nfs/dbraw/zinc/26/19/37/1019261937.db2.gz CZPRYHDXCVIDAZ-MNOVXSKESA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1coc(-c2cccnc2)n1 ZINC001608752627 1019263263 /nfs/dbraw/zinc/26/32/63/1019263263.db2.gz GZAPOAUJBSNYMW-UHFFFAOYSA-N -1 0 304.262 -0.333 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001608750529 1019263276 /nfs/dbraw/zinc/26/32/76/1019263276.db2.gz LVVUJTSLCRMNBD-FXPVBKGRSA-N -1 0 306.322 -0.295 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)c2ccc(F)cc2S1(=O)=O ZINC001608752151 1019263364 /nfs/dbraw/zinc/26/33/64/1019263364.db2.gz MLGUNHLTDASUHT-UHFFFAOYSA-N -1 0 316.266 -0.829 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCc2cncn2C1 ZINC001608750461 1019263390 /nfs/dbraw/zinc/26/33/90/1019263390.db2.gz JRLZXQCVEHIXJH-PWSUYJOCSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1Cc1nnc2n1CCCC2 ZINC001608750595 1019263647 /nfs/dbraw/zinc/26/36/47/1019263647.db2.gz GZXAYJCPVMBZKN-JTQLQIEISA-N -1 0 307.354 -0.220 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@H]1COc2ccc(F)cc2C1 ZINC001608752127 1019264202 /nfs/dbraw/zinc/26/42/02/1019264202.db2.gz LPLHMMQTZCTUGW-SECBINFHSA-N -1 0 310.281 -0.306 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cnc(Cl)cn1 ZINC001608750436 1019264401 /nfs/dbraw/zinc/26/44/01/1019264401.db2.gz FQUKFQJDXDNTIU-QMMMGPOBSA-N -1 0 312.713 -0.065 20 0 DBADRM O=C([O-])COCC(=O)NCC[C@]1(O)C(=O)Nc2ccccc21 ZINC001608756492 1019266031 /nfs/dbraw/zinc/26/60/31/1019266031.db2.gz GKNWYCBWMRUTHW-CQSZACIVSA-N -1 0 308.290 -0.566 20 0 DBADRM O=C([O-])COCCNC(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC001608756942 1019266514 /nfs/dbraw/zinc/26/65/14/1019266514.db2.gz KTMAOAXYVJHRQF-HNNXBMFYSA-N -1 0 306.318 -0.338 20 0 DBADRM O=C([O-])COCCNC(=O)NC[C@H](CO)Cc1ccco1 ZINC001608757520 1019266600 /nfs/dbraw/zinc/26/66/00/1019266600.db2.gz IKXWULBWJCUTAM-SNVBAGLBSA-N -1 0 300.311 -0.169 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)CSc1nc2ccccc2[nH]1 ZINC001608752970 1019266914 /nfs/dbraw/zinc/26/69/14/1019266914.db2.gz DNSWZXQWAUTGHM-UHFFFAOYSA-N -1 0 322.346 -0.028 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)C[C@@H]1CC2(CCC2)CO1 ZINC001608752899 1019266951 /nfs/dbraw/zinc/26/69/51/1019266951.db2.gz VNXXBPWSGQUTBA-VIFPVBQESA-N -1 0 320.367 -0.934 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Cc1ccc2c(c1)CCCO2 ZINC001608753190 1019267205 /nfs/dbraw/zinc/26/72/05/1019267205.db2.gz PQTQHSPXMHQCPI-UHFFFAOYSA-N -1 0 306.318 -0.129 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C[C@@H]2CC(=O)N2)cc1 ZINC001608753605 1019267385 /nfs/dbraw/zinc/26/73/85/1019267385.db2.gz CWLAJVPZDDDXJV-LLVKDONJSA-N -1 0 319.317 -0.353 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1cccc(Cl)n1 ZINC001608756801 1019267798 /nfs/dbraw/zinc/26/77/98/1019267798.db2.gz AZJBBKOLDJNKFG-UHFFFAOYSA-N -1 0 301.686 -0.109 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccnc(-n2ccnc2)c1 ZINC001608753034 1019267863 /nfs/dbraw/zinc/26/78/63/1019267863.db2.gz ZQTNYQWFDKNLGW-UHFFFAOYSA-N -1 0 303.278 -0.802 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)C[C@H]1CC2(CCC2)CO1 ZINC001608752898 1019268720 /nfs/dbraw/zinc/26/87/20/1019268720.db2.gz VNXXBPWSGQUTBA-SECBINFHSA-N -1 0 320.367 -0.934 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)C(=O)N1CC[C@H](CO)C1 ZINC001608788652 1019269581 /nfs/dbraw/zinc/26/95/81/1019269581.db2.gz YXALRTTZIUNIML-NSHDSACASA-N -1 0 320.345 -0.229 20 0 DBADRM O=C([O-])COCCNC(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC001608757713 1019269896 /nfs/dbraw/zinc/26/98/96/1019269896.db2.gz WKDPAWSZFAXTLC-VIFPVBQESA-N -1 0 308.356 -0.788 20 0 DBADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1(n2cnnn2)CCOCC1 ZINC001608770074 1019269914 /nfs/dbraw/zinc/26/99/14/1019269914.db2.gz KSXSUYBDYTWLAU-WDEREUQCSA-N -1 0 323.353 -0.062 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)C(=O)N1CC[C@@H](CO)C1 ZINC001608788651 1019270279 /nfs/dbraw/zinc/27/02/79/1019270279.db2.gz YXALRTTZIUNIML-LLVKDONJSA-N -1 0 320.345 -0.229 20 0 DBADRM O=C([O-])COc1ccccc1CN1CC2(C1)NC(=O)NC2=O ZINC001608765170 1019271105 /nfs/dbraw/zinc/27/11/05/1019271105.db2.gz OAPBTTWFACUJSR-UHFFFAOYSA-N -1 0 305.290 -0.456 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC001608772413 1019271314 /nfs/dbraw/zinc/27/13/14/1019271314.db2.gz JWLPIWVRJUJLEK-KXUCPTDWSA-N -1 0 324.337 -0.425 20 0 DBADRM O=C([O-])CSCCC(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001608766735 1019272028 /nfs/dbraw/zinc/27/20/28/1019272028.db2.gz BPMZATXIGANCKQ-GFCCVEGCSA-N -1 0 318.351 -0.468 20 0 DBADRM O=C([O-])CSCCC(=O)N[C@@H](CO)[C@H](O)c1cccnc1 ZINC001608766902 1019272390 /nfs/dbraw/zinc/27/23/90/1019272390.db2.gz PZUFVLRCAMTWPS-GXFFZTMASA-N -1 0 314.363 -0.200 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)c1 ZINC001608787428 1019272608 /nfs/dbraw/zinc/27/26/08/1019272608.db2.gz MTIFJPNHVNGYRI-NEPJUHHUSA-N -1 0 315.347 -0.570 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@H]2CCc3nncn3CC2)n[nH]1 ZINC001608793185 1019274121 /nfs/dbraw/zinc/27/41/21/1019274121.db2.gz ACOKRXVWPYCLMD-ZETCQYMHSA-N -1 0 305.298 -0.386 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)/C=C/Cn2cncn2)nn1 ZINC001608796710 1019274466 /nfs/dbraw/zinc/27/44/66/1019274466.db2.gz MVZVIAYJIAABNA-OWOJBTEDSA-N -1 0 306.282 -0.704 20 0 DBADRM O=C([O-])Cn1cc(CCSCCN2CCOCC2)nn1 ZINC001608796939 1019274593 /nfs/dbraw/zinc/27/45/93/1019274593.db2.gz CHWYXVCJPSMVLY-UHFFFAOYSA-N -1 0 300.384 -0.029 20 0 DBADRM O=C([O-])Cn1cc(CN2CCN(C(=O)N3CCCC3)CC2)nn1 ZINC001608797246 1019275600 /nfs/dbraw/zinc/27/56/00/1019275600.db2.gz XQHHXLLJEZVSQJ-UHFFFAOYSA-N -1 0 322.369 -0.304 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)N2C[C@@H](O)[C@H](CO)C2)n1 ZINC001608792533 1019275854 /nfs/dbraw/zinc/27/58/54/1019275854.db2.gz LRVWZRXWIMSACR-POYBYMJQSA-N -1 0 301.324 -0.413 20 0 DBADRM O=C([O-])Cn1cc(CC[N@@H+]2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)nn1 ZINC001608796326 1019276551 /nfs/dbraw/zinc/27/65/51/1019276551.db2.gz PLDZQYARXWEHPA-VIFPVBQESA-N -1 0 321.341 -0.392 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC3(COC3)C2)C[C@H]1C1CC1 ZINC001608805757 1019277619 /nfs/dbraw/zinc/27/76/19/1019277619.db2.gz ICJFNSZFHCORSB-NWDGAFQWSA-N -1 0 322.361 -0.196 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N[C@H](CO)C2CCOCC2)C1 ZINC001608805379 1019278067 /nfs/dbraw/zinc/27/80/67/1019278067.db2.gz NMLCNIADDIZARQ-GRYCIOLGSA-N -1 0 321.395 -0.053 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001608801294 1019278153 /nfs/dbraw/zinc/27/81/53/1019278153.db2.gz PEYUVNRPNRTEPI-UWVGGRQHSA-N -1 0 315.305 -0.460 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)C1(N2CCOCC2)CC1 ZINC001608800031 1019278291 /nfs/dbraw/zinc/27/82/91/1019278291.db2.gz INUJUQTUPAULNU-LLVKDONJSA-N -1 0 308.338 -0.614 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC001608801021 1019279025 /nfs/dbraw/zinc/27/90/25/1019279025.db2.gz DMHBTDZOFZHXLF-QWRGUYRKSA-N -1 0 303.334 -0.085 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(C[C@@H]1CCNC(=O)CC1)c2=O ZINC001608799320 1019280244 /nfs/dbraw/zinc/28/02/44/1019280244.db2.gz DWJDZCFHRPFJEM-VIFPVBQESA-N -1 0 319.321 -0.406 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001608811189 1019281164 /nfs/dbraw/zinc/28/11/64/1019281164.db2.gz WXTDPUBCDRXWBP-SDDRHHMPSA-N -1 0 309.366 -0.623 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)C1CCN(c2cnccn2)CC1 ZINC001608810036 1019281222 /nfs/dbraw/zinc/28/12/22/1019281222.db2.gz BJILUVXKOAWQEA-NEPJUHHUSA-N -1 0 320.349 -0.261 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cscn1 ZINC001608813297 1019281900 /nfs/dbraw/zinc/28/19/00/1019281900.db2.gz WEDBIZJECVOKTO-XPUUQOCRSA-N -1 0 324.318 -0.637 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@](O)(C(F)F)C1 ZINC001608814807 1019281921 /nfs/dbraw/zinc/28/19/21/1019281921.db2.gz YBVNDEGRYULHFD-DNSOKLHBSA-N -1 0 308.281 -0.112 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N([C@@H]2CC(=O)N(C3CC3)C2)C1=O ZINC001608814394 1019282110 /nfs/dbraw/zinc/28/21/10/1019282110.db2.gz VNYSHBBXXKCMJG-CDLYGTGVSA-N -1 0 307.306 -0.609 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)C1=COCCC1 ZINC001608813405 1019282536 /nfs/dbraw/zinc/28/25/36/1019282536.db2.gz PAMRAOVRZJCAPM-UWVGGRQHSA-N -1 0 323.305 -0.713 20 0 DBADRM O=C([O-])c1c(F)cccc1S(=O)(=O)N1C[C@H](O)C[C@H](O)C1 ZINC001608828943 1019284710 /nfs/dbraw/zinc/28/47/10/1019284710.db2.gz DQIHBJCCPLPOPR-OCAPTIKFSA-N -1 0 319.310 -0.360 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001608818267 1019284751 /nfs/dbraw/zinc/28/47/51/1019284751.db2.gz YLBSOQCAWAXPSM-YFKPBYRVSA-N -1 0 302.230 -0.243 20 0 DBADRM O=C([O-])c1c(NC(=O)N2CC[C@H](O)[C@H](CO)C2)nc2n1CCC2 ZINC001608829806 1019285000 /nfs/dbraw/zinc/28/50/00/1019285000.db2.gz OMUSTHSSZFROMH-IUCAKERBSA-N -1 0 324.337 -0.266 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)Cn1nnnc1-c1ccccc1 ZINC001608823256 1019285631 /nfs/dbraw/zinc/28/56/31/1019285631.db2.gz HHZGICKHUZNGHT-GHMZBOCLSA-N -1 0 317.305 -0.614 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCOC1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574874076 1019286778 /nfs/dbraw/zinc/28/67/78/1019286778.db2.gz BLBKGLRPFXABIF-IUCAKERBSA-N -1 0 318.341 -0.968 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](C(=O)N2CCO[C@H](CN3CCOCC3)C2)C1 ZINC001608821116 1019286876 /nfs/dbraw/zinc/28/68/76/1019286876.db2.gz FCBJYUVWVFALJT-FRRDWIJNSA-N -1 0 312.366 -0.343 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@H](CO)[C@H]2CCCOC2)C1 ZINC001608824330 1019287437 /nfs/dbraw/zinc/28/74/37/1019287437.db2.gz QXNSYJUXYMDSEP-UKKRHICBSA-N -1 0 307.368 -0.444 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)c[nH]1 ZINC001608836310 1019289165 /nfs/dbraw/zinc/28/91/65/1019289165.db2.gz VBDAMFKHNOKCEO-AWEZNQCLSA-N -1 0 309.322 -0.768 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C3CCC2(CO)CC3)n[nH]1 ZINC001608857959 1019290082 /nfs/dbraw/zinc/29/00/82/1019290082.db2.gz MTYUSCFSNQLXSN-UHFFFAOYSA-N -1 0 301.324 -0.214 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H](CO)C2CCOCC2)c[nH]1 ZINC001608860007 1019290160 /nfs/dbraw/zinc/29/01/60/1019290160.db2.gz QWLUWWLSCSVKHT-NSHDSACASA-N -1 0 318.351 -0.221 20 0 DBADRM O=C([O-])c1cc(F)ccc1S(=O)(=O)N[C@H]1CCNC1=O ZINC001608851504 1019290264 /nfs/dbraw/zinc/29/02/64/1019290264.db2.gz DOZXAWFWYJDZGN-QMMMGPOBSA-N -1 0 302.283 -0.309 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)c[nH]1 ZINC001608859010 1019290331 /nfs/dbraw/zinc/29/03/31/1019290331.db2.gz WVVBLKOPTPGBCO-SECBINFHSA-N -1 0 315.351 -0.582 20 0 DBADRM O=C([O-])c1ccc(NC(=O)N(CCO)CCOCCO)nn1 ZINC001608900206 1019292088 /nfs/dbraw/zinc/29/20/88/1019292088.db2.gz YEEAVLZQBUJDKE-UHFFFAOYSA-N -1 0 314.298 -0.990 20 0 DBADRM O=C([O-])c1ccc(N2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)nn1 ZINC001608898551 1019293420 /nfs/dbraw/zinc/29/34/20/1019293420.db2.gz GMFMVWDDRTWILP-AOOOYVTPSA-N -1 0 306.322 -0.406 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CC[C@@H](CN3CCCC3=O)C2)n1 ZINC001608870408 1019293486 /nfs/dbraw/zinc/29/34/86/1019293486.db2.gz BMPFWLPJVSARMO-LLVKDONJSA-N -1 0 320.349 -0.157 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN(CCn3cncn3)CC2)[nH]1 ZINC001608872691 1019294081 /nfs/dbraw/zinc/29/40/81/1019294081.db2.gz AZKKIFFGHLXZEW-UHFFFAOYSA-N -1 0 318.337 -0.238 20 0 DBADRM O=C([O-])c1ccc(NC(=O)N2CCS(=O)(=O)CCO2)cn1 ZINC001608901733 1019294763 /nfs/dbraw/zinc/29/47/63/1019294763.db2.gz FRVNMSRZCAQUDN-UHFFFAOYSA-N -1 0 315.307 -0.026 20 0 DBADRM C[C@H](CNC(=O)CC(C)(C)O)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574886665 1019295368 /nfs/dbraw/zinc/29/53/68/1019295368.db2.gz UYXLRMYVHNZJDE-MRVPVSSYSA-N -1 0 320.357 -0.266 20 0 DBADRM O=C([O-])c1ccnc(C(=O)NC[C@]23COC(=O)N2CCOC3)c1 ZINC001608951669 1019295537 /nfs/dbraw/zinc/29/55/37/1019295537.db2.gz IJFFJQKEWAKRBY-AWEZNQCLSA-N -1 0 321.289 -0.269 20 0 DBADRM O=C([O-])c1cccc(C(=O)NCCCn2cc(CO)nn2)n1 ZINC001608929073 1019295714 /nfs/dbraw/zinc/29/57/14/1019295714.db2.gz RALHETZTYOUIQI-UHFFFAOYSA-N -1 0 305.294 -0.316 20 0 DBADRM O=C([O-])c1cccc(CS(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)c1 ZINC001608932385 1019296190 /nfs/dbraw/zinc/29/61/90/1019296190.db2.gz FXIJGMCBVFBLPZ-NEPJUHHUSA-N -1 0 315.347 -0.358 20 0 DBADRM O=C([O-])c1cccc(C(=O)N[C@H](CO)[C@@H](O)c2cccnc2)n1 ZINC001608928727 1019296277 /nfs/dbraw/zinc/29/62/77/1019296277.db2.gz IPDIFBMTQFOVGW-OLZOCXBDSA-N -1 0 317.301 -0.001 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCN(c3cccnn3)CC2)n1 ZINC001608950781 1019296748 /nfs/dbraw/zinc/29/67/48/1019296748.db2.gz KOMPBLWSDSSWFZ-UHFFFAOYSA-N -1 0 316.321 -0.280 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC001608951280 1019297034 /nfs/dbraw/zinc/29/70/34/1019297034.db2.gz NYXXOHOWHWDDTN-VIFPVBQESA-N -1 0 304.262 -0.844 20 0 DBADRM O=C([O-])c1ccnc(N2CCO[C@@]3(CCS(=O)(=O)C3)C2)n1 ZINC001608952826 1019297085 /nfs/dbraw/zinc/29/70/85/1019297085.db2.gz PCTLVTKXTSEAKO-LBPRGKRZSA-N -1 0 313.335 -0.431 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@H](O)[C@@H]2CCCO2)o1 ZINC001608911988 1019297254 /nfs/dbraw/zinc/29/72/54/1019297254.db2.gz JPSLOJNQOJPLFK-YUMQZZPRSA-N -1 0 305.308 -0.204 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCN(C[C@@H]3CCCO3)CC2)n1 ZINC001608950932 1019297435 /nfs/dbraw/zinc/29/74/35/1019297435.db2.gz VHNKXZIMIMVHGV-LBPRGKRZSA-N -1 0 322.365 -0.096 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N1CCN2CCOC[C@H]2C1 ZINC001608955635 1019297945 /nfs/dbraw/zinc/29/79/45/1019297945.db2.gz HWLJUPGHOPLWDZ-SECBINFHSA-N -1 0 316.335 -0.317 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)NCCNC(=O)C1CC1 ZINC001608956362 1019298152 /nfs/dbraw/zinc/29/81/52/1019298152.db2.gz PYNUKUSRUIFJPM-UHFFFAOYSA-N -1 0 302.308 -0.218 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3cccc4n[nH]nc43)C2)nn1 ZINC001608962851 1019298253 /nfs/dbraw/zinc/29/82/53/1019298253.db2.gz DZMDBUMMGGADTD-UHFFFAOYSA-N -1 0 313.277 -0.055 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N1CCN2CCOC[C@@H]2C1 ZINC001608955636 1019298340 /nfs/dbraw/zinc/29/83/40/1019298340.db2.gz HWLJUPGHOPLWDZ-VIFPVBQESA-N -1 0 316.335 -0.317 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)N[C@H]3CCOC3=O)C2)nn1 ZINC001608958022 1019298644 /nfs/dbraw/zinc/29/86/44/1019298644.db2.gz AUAIDSDOANPAQB-BDAKNGLRSA-N -1 0 323.309 -0.362 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N[C@H](CO)[C@H]2CCOC2)c1 ZINC001608954306 1019298787 /nfs/dbraw/zinc/29/87/87/1019298787.db2.gz DBMYITDVCOEFDY-VHSXEESVSA-N -1 0 316.335 -0.545 20 0 DBADRM O=C([O-])c1cn(C2CN(CN3C[C@]4(CCOC4)CC3=O)C2)nn1 ZINC001608963076 1019299340 /nfs/dbraw/zinc/29/93/40/1019299340.db2.gz UELIPSWAPUBKOJ-AWEZNQCLSA-N -1 0 321.337 -0.571 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)N[C@H]3CCOC3=O)C2)nn1 ZINC001608958023 1019299596 /nfs/dbraw/zinc/29/95/96/1019299596.db2.gz AUAIDSDOANPAQB-IUCAKERBSA-N -1 0 323.309 -0.362 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(S(=O)(=O)[C@H]3CCOC3)C2)nn1 ZINC001608962451 1019299721 /nfs/dbraw/zinc/29/97/21/1019299721.db2.gz TWKQXZNYZGZRJX-IUCAKERBSA-N -1 0 316.339 -0.658 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3cnc4cccnn43)C2)nn1 ZINC001608962918 1019300294 /nfs/dbraw/zinc/30/02/94/1019300294.db2.gz JZJLNKXXNWUZMK-UHFFFAOYSA-N -1 0 313.277 -0.284 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)C[C@H]3CCNC3=O)C2)nn1 ZINC001608957415 1019300391 /nfs/dbraw/zinc/30/03/91/1019300391.db2.gz CDOJAJIYPZXZNH-ZJUUUORDSA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2nccn3ccnc23)nn1 ZINC001608963913 1019302410 /nfs/dbraw/zinc/30/24/10/1019302410.db2.gz OJOLCDJKQNJDSD-UHFFFAOYSA-N -1 0 301.266 -0.551 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@H](O)c1ccco1 ZINC001608965297 1019302465 /nfs/dbraw/zinc/30/24/65/1019302465.db2.gz JRDHZNKIBLFHSO-ZETCQYMHSA-N -1 0 301.280 -0.287 20 0 DBADRM O=C([O-])c1cn(CCOC(=O)c2cnn3ccncc23)nn1 ZINC001608964507 1019303002 /nfs/dbraw/zinc/30/30/02/1019303002.db2.gz UDVANJRPLVGLMH-UHFFFAOYSA-N -1 0 302.250 -0.124 20 0 DBADRM O=C([O-])c1cn(CN2CCN(C(=O)c3ccccn3)CC2)nn1 ZINC001608964891 1019304030 /nfs/dbraw/zinc/30/40/30/1019304030.db2.gz OSUXRLLMZRDVDP-UHFFFAOYSA-N -1 0 316.321 -0.213 20 0 DBADRM O=C([O-])c1cnc(NC/C=C\CNC(=O)[C@@H]2COCCO2)nc1 ZINC001608977625 1019304530 /nfs/dbraw/zinc/30/45/30/1019304530.db2.gz SPMJNBMZIBVYJV-BVBSBALXSA-N -1 0 322.321 -0.326 20 0 DBADRM O=C([O-])c1cncc(CN2CCN3[C@@H](CNS3(=O)=O)C2)c1 ZINC001608980663 1019305105 /nfs/dbraw/zinc/30/51/05/1019305105.db2.gz KBRXOUZCBKSMGJ-NSHDSACASA-N -1 0 312.351 -0.886 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N[C@H](CO)[C@@H]2CCOC2)c1 ZINC001608982528 1019305158 /nfs/dbraw/zinc/30/51/58/1019305158.db2.gz NKUCUOYTOPONFJ-LDYMZIIASA-N -1 0 316.335 -0.545 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CC[C@@H](N3CCCC3=O)C2)c1 ZINC001608984185 1019305405 /nfs/dbraw/zinc/30/54/05/1019305405.db2.gz ZHPSJXILSKWENT-LLVKDONJSA-N -1 0 306.322 -0.195 20 0 DBADRM O=C([O-])c1cncc(C(=O)OCCN2CCCS2(=O)=O)c1 ZINC001608979906 1019305683 /nfs/dbraw/zinc/30/56/83/1019305683.db2.gz ACQBPDWCMFXBEX-UHFFFAOYSA-N -1 0 314.319 -0.028 20 0 DBADRM O=C([O-])c1coc(CNC(=O)[C@H]2COCCN2CC(F)F)n1 ZINC001608988404 1019305866 /nfs/dbraw/zinc/30/58/66/1019305866.db2.gz GLJCLZGZBTUJRN-MRVPVSSYSA-N -1 0 319.264 -0.045 20 0 DBADRM O=C([O-])c1cncc(CN2CCS(=O)(=O)C[C@H]2CCO)c1 ZINC001608980913 1019306065 /nfs/dbraw/zinc/30/60/65/1019306065.db2.gz VOSWTOVSILFPJU-GFCCVEGCSA-N -1 0 314.363 -0.239 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC001608982540 1019306231 /nfs/dbraw/zinc/30/62/31/1019306231.db2.gz NXSWIIOKQHUZJE-OWXODZSWSA-N -1 0 316.360 -0.326 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)c2ccsn2)nc1 ZINC001608976187 1019306536 /nfs/dbraw/zinc/30/65/36/1019306536.db2.gz JDGJIYYZGRZVTQ-MRVPVSSYSA-N -1 0 323.334 -0.166 20 0 DBADRM O=C([O-])c1nc(N2CCC[C@H]2CNC(=O)c2nnc[n-]2)cc[nH+]1 ZINC001608997988 1019307528 /nfs/dbraw/zinc/30/75/28/1019307528.db2.gz VVSDZOLTXXIFMO-QMMMGPOBSA-N -1 0 317.309 -0.308 20 0 DBADRM O=C([O-])c1ncccc1OS(=O)(=O)CCN1CCOC1=O ZINC001609000324 1019307818 /nfs/dbraw/zinc/30/78/18/1019307818.db2.gz WDXVLSPMLHOVFQ-UHFFFAOYSA-N -1 0 316.291 -0.059 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)[C@]2(F)CCOC2)n1 ZINC001608998851 1019308294 /nfs/dbraw/zinc/30/82/94/1019308294.db2.gz GAIQSNKFOLSYDP-ZDUSSCGKSA-N -1 0 312.301 -0.357 20 0 DBADRM O=C([O-])c1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)n1 ZINC001608998586 1019308513 /nfs/dbraw/zinc/30/85/13/1019308513.db2.gz UJBHCCSZUKIGQL-OPRDCNLKSA-N -1 0 322.321 -0.981 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CNC(=O)[C@@H]2CCOC2)C2CC2)n1 ZINC001608999006 1019309074 /nfs/dbraw/zinc/30/90/74/1019309074.db2.gz KEZRKBVMKOHMIB-MNOVXSKESA-N -1 0 320.349 -0.060 20 0 DBADRM O=C([O-])c1nccc(N2CCN(C(=O)Cc3cc[nH]n3)CC2)n1 ZINC001608998066 1019309181 /nfs/dbraw/zinc/30/91/81/1019309181.db2.gz XZAACSWNPCJRLX-UHFFFAOYSA-N -1 0 316.321 -0.211 20 0 DBADRM O=C([O-])c1nccc(N2CCN(C(=O)c3cn[nH]c3)CC2)n1 ZINC001608998487 1019309673 /nfs/dbraw/zinc/30/96/73/1019309673.db2.gz QKHFVDNROFSJSU-UHFFFAOYSA-N -1 0 302.294 -0.140 20 0 DBADRM O=C([O-])c1nc(C(=O)OCC(=O)N2CCOCC2)cs1 ZINC001609017489 1019310866 /nfs/dbraw/zinc/31/08/66/1019310866.db2.gz QXWUUAPKHFYKGC-UHFFFAOYSA-N -1 0 300.292 -0.143 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)NC[C@H]1COCCN1 ZINC001609010365 1019311314 /nfs/dbraw/zinc/31/13/14/1019311314.db2.gz LIBDOXGYNYGMGT-ZETCQYMHSA-N -1 0 306.365 -0.287 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CC(=O)N(C2CC2)C1 ZINC001609003003 1019311861 /nfs/dbraw/zinc/31/18/61/1019311861.db2.gz RQBOSUYOTFTCLW-UHFFFAOYSA-N -1 0 309.278 -0.320 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1cccc2c1OCCC2 ZINC001574924672 1019313045 /nfs/dbraw/zinc/31/30/45/1019313045.db2.gz CDVCBBNDAOFLQQ-VIFPVBQESA-N -1 0 301.320 -0.265 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2ccc(Cn3cncn3)cc2)C1 ZINC001609028555 1019314794 /nfs/dbraw/zinc/31/47/94/1019314794.db2.gz WCOKMUBMNGZSSL-OAHLLOKOSA-N -1 0 316.317 -0.012 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N2CCC(=O)NCC23COC3)cn1 ZINC001609038594 1019315395 /nfs/dbraw/zinc/31/53/95/1019315395.db2.gz LSUGSHFHVQURRL-UHFFFAOYSA-N -1 0 319.317 -0.560 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)NCC[C@H]2CNC(=O)C2)C1 ZINC001609035457 1019315601 /nfs/dbraw/zinc/31/56/01/1019315601.db2.gz PKLQEXGAPWEATF-ZJUUUORDSA-N -1 0 315.395 -0.028 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C[C@@H]3CCC(=O)NC3)C[C@H]1COCC2 ZINC001609036238 1019315621 /nfs/dbraw/zinc/31/56/21/1019315621.db2.gz XNRRXMUDKARGFG-ZIBATOQPSA-N -1 0 310.350 -0.148 20 0 DBADRM O=C(C[C@H]1CC(=O)NC1=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609035433 1019315722 /nfs/dbraw/zinc/31/57/22/1019315722.db2.gz OVSQHYZVFHKEQT-WDEREUQCSA-N -1 0 304.302 -0.149 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)C[C@H]3CCC(=O)NC3)C2)nn1 ZINC001609035300 1019315753 /nfs/dbraw/zinc/31/57/53/1019315753.db2.gz DGICZOAQGZDOAK-MRVPVSSYSA-N -1 0 307.310 -0.724 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N[C@@H]1CCNC(=O)CC1 ZINC001609037258 1019316020 /nfs/dbraw/zinc/31/60/20/1019316020.db2.gz QSPITOVIOUECOK-ZETCQYMHSA-N -1 0 302.308 -0.075 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CC[C@@H](N3CCCC3=O)C2)C1 ZINC001609038049 1019316474 /nfs/dbraw/zinc/31/64/74/1019316474.db2.gz OGBURMKPEZDUMZ-MXWKQRLJSA-N -1 0 316.379 -0.124 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)C[C@H]3CCC(=O)N3)C2)nn1 ZINC001609036006 1019317396 /nfs/dbraw/zinc/31/73/96/1019317396.db2.gz QPRFGBXNRSTINE-ZJUUUORDSA-N -1 0 321.337 -0.192 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)c1ccnc2c1CC(=O)N2 ZINC001609043202 1019318167 /nfs/dbraw/zinc/31/81/67/1019318167.db2.gz WOETZGVITKMKNV-SECBINFHSA-N -1 0 321.289 -0.478 20 0 DBADRM O=C([O-])c1c(NC(=O)[C@@H]2CC(=O)NC(=O)N2)nc2n1CCC2 ZINC001609043237 1019318349 /nfs/dbraw/zinc/31/83/49/1019318349.db2.gz YHNLPLFWOPEGDV-YFKPBYRVSA-N -1 0 307.266 -0.936 20 0 DBADRM O=C([O-])C1(NC(=O)C2CCC3(CC2)NC(=O)NC3=O)CCC1 ZINC001609043971 1019318676 /nfs/dbraw/zinc/31/86/76/1019318676.db2.gz IMFGHAHLWUYGGS-UHFFFAOYSA-N -1 0 309.322 -0.122 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)on1 ZINC001609043521 1019318719 /nfs/dbraw/zinc/31/87/19/1019318719.db2.gz BOZVWAMNNGIJOO-GFCCVEGCSA-N -1 0 308.250 -0.813 20 0 DBADRM O=C([O-])C1(CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001609043689 1019318760 /nfs/dbraw/zinc/31/87/60/1019318760.db2.gz DUVWETIMSBCAAQ-UHFFFAOYSA-N -1 0 309.322 -0.264 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)[C@H]3CSC(=O)N3)C2)nn1 ZINC001609043343 1019318942 /nfs/dbraw/zinc/31/89/42/1019318942.db2.gz CCQDMRHYDZAJPS-POYBYMJQSA-N -1 0 311.323 -0.425 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)n1 ZINC001609043712 1019319334 /nfs/dbraw/zinc/31/93/34/1019319334.db2.gz FIAITPLZJQAYJI-UHFFFAOYSA-N -1 0 318.289 -0.406 20 0 DBADRM O=C([O-])c1c(NC(=O)N2CCCNC(=O)C2)nc2n1CCC2 ZINC001609040561 1019319502 /nfs/dbraw/zinc/31/95/02/1019319502.db2.gz OFBIZPDCIXLUDH-UHFFFAOYSA-N -1 0 307.310 -0.119 20 0 DBADRM O=C([O-])c1cnc(CCNC(=O)[C@@H]2CSCC(=O)N2)s1 ZINC001609042640 1019319850 /nfs/dbraw/zinc/31/98/50/1019319850.db2.gz RHHNNUJTRMNLTQ-LURJTMIESA-N -1 0 315.376 -0.268 20 0 DBADRM O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)CN1CCNC(=O)C1 ZINC001609041052 1019319924 /nfs/dbraw/zinc/31/99/24/1019319924.db2.gz MJQRJNCPHBPOFD-GFCCVEGCSA-N -1 0 323.324 -0.631 20 0 DBADRM O=C([O-])[C@H]1CN(CC(=O)N2CCNC(=O)C2)c2ccccc2O1 ZINC001609040235 1019320324 /nfs/dbraw/zinc/32/03/24/1019320324.db2.gz AMRZWIKCOKEPGD-GFCCVEGCSA-N -1 0 319.317 -0.703 20 0 DBADRM CC[C@H](OC)C(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001574945327 1019321015 /nfs/dbraw/zinc/32/10/15/1019321015.db2.gz RHWWSRHQUAOSPR-JTQLQIEISA-N -1 0 321.337 -0.706 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)NC[C@H]2CCCNC2=O)CC1 ZINC001609045051 1019322085 /nfs/dbraw/zinc/32/20/85/1019322085.db2.gz IJSFWORQXBTTOO-GHMZBOCLSA-N -1 0 313.354 -0.620 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCCCN2CCOC2=O)C1 ZINC001609047109 1019323032 /nfs/dbraw/zinc/32/30/32/1019323032.db2.gz LRHBJRNTKIBWPD-DTORHVGOSA-N -1 0 306.340 -0.389 20 0 DBADRM O=Cc1c[nH]c(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c1 ZINC001609048033 1019323778 /nfs/dbraw/zinc/32/37/78/1019323778.db2.gz ZYLRHEKDJQFPLM-SECBINFHSA-N -1 0 314.319 -0.459 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)C1 ZINC001609050104 1019324923 /nfs/dbraw/zinc/32/49/23/1019324923.db2.gz JIZRDAFVCASEBP-OCAPTIKFSA-N -1 0 307.306 -0.018 20 0 DBADRM C[C@@H](C(=O)N[C@H](CO)C1CCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068298 1019328963 /nfs/dbraw/zinc/32/89/63/1019328963.db2.gz HIONGCCYRGYNQC-WCBMZHEXSA-N -1 0 320.357 -0.314 20 0 DBADRM C[C@H](C(=O)N[C@]1(C)CCO[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001609069318 1019330352 /nfs/dbraw/zinc/33/03/52/1019330352.db2.gz VXAHCFOQMFCSST-RGNHYFCHSA-N -1 0 306.330 -0.297 20 0 DBADRM C[C@@H](C(=O)NCC(=O)C(C)(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001609069678 1019333003 /nfs/dbraw/zinc/33/30/03/1019333003.db2.gz CXQNOTXKNAWSAN-ZETCQYMHSA-N -1 0 306.330 -0.249 20 0 DBADRM C[C@H](C(=O)N[C@]1(C)CCCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609069187 1019333862 /nfs/dbraw/zinc/33/38/62/1019333862.db2.gz SKNFFFVYGYAOSW-PRHODGIISA-N -1 0 306.330 -0.296 20 0 DBADRM CC(C)(C(=O)NCCn1cnc(-c2nnn[n-]2)n1)C(F)F ZINC001609073120 1019333925 /nfs/dbraw/zinc/33/39/25/1019333925.db2.gz WGUJKHZOCCFSBH-UHFFFAOYSA-N -1 0 300.273 -0.134 20 0 DBADRM C[C@H](C(=O)N[C@H](CO)C1CCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068283 1019334760 /nfs/dbraw/zinc/33/47/60/1019334760.db2.gz HIONGCCYRGYNQC-PSASIEDQSA-N -1 0 320.357 -0.314 20 0 DBADRM C[C@H](C(=O)N[C@@]1(C)CCO[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001609069317 1019335181 /nfs/dbraw/zinc/33/51/81/1019335181.db2.gz VXAHCFOQMFCSST-LWINAJNOSA-N -1 0 306.330 -0.297 20 0 DBADRM C[C@H](NC(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCOC1 ZINC001609120281 1019342247 /nfs/dbraw/zinc/34/22/47/1019342247.db2.gz CSFZDWXUTGGPLS-DTWKUNHWSA-N -1 0 321.345 -0.818 20 0 DBADRM C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H]1CCCOC1 ZINC001609120152 1019345275 /nfs/dbraw/zinc/34/52/75/1019345275.db2.gz XMYWDIHVAFWJGQ-BDAKNGLRSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)C(C)(C)O ZINC001609125838 1019350935 /nfs/dbraw/zinc/35/09/35/1019350935.db2.gz SKQUSQSPRGCOFO-SSDOTTSWSA-N -1 0 312.355 -0.301 20 0 DBADRM C[C@@H](O)CN(C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)[C@H](C)CO ZINC001609129000 1019351736 /nfs/dbraw/zinc/35/17/36/1019351736.db2.gz KMIVXPLWMNJPCC-RKDXNWHRSA-N -1 0 321.337 -0.224 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)c2ccnc(-c3nn[nH]n3)c2)CC1 ZINC001609150626 1019357615 /nfs/dbraw/zinc/35/76/15/1019357615.db2.gz JAJWKIKSJFLLEW-UHFFFAOYSA-N -1 0 308.323 -0.126 20 0 DBADRM C[C@]1(NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCCOC1 ZINC001609149967 1019357780 /nfs/dbraw/zinc/35/77/80/1019357780.db2.gz HBWDYEAUOHOEGO-LBPRGKRZSA-N -1 0 321.345 -0.674 20 0 DBADRM CC1(C)CC[C@H]1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609145098 1019358608 /nfs/dbraw/zinc/35/86/08/1019358608.db2.gz ZWDFLLCPUSYLBQ-MRVPVSSYSA-N -1 0 305.346 -0.054 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CCn2cnc(-c3nnn[n-]3)n2)C1=O ZINC001609148544 1019360346 /nfs/dbraw/zinc/36/03/46/1019360346.db2.gz AWVNLPWXMWFABI-LBPRGKRZSA-N -1 0 317.313 -0.821 20 0 DBADRM CC(C)CC(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001505596274 1019364294 /nfs/dbraw/zinc/36/42/94/1019364294.db2.gz QOSLACRJNSDLNC-SECBINFHSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@H]1CN(C(=O)COc2cnc(-c3nnn[n-]3)nc2)CCO1 ZINC001609171504 1019366299 /nfs/dbraw/zinc/36/62/99/1019366299.db2.gz RSUYQDOEPOMROA-QMMMGPOBSA-N -1 0 305.298 -0.717 20 0 DBADRM CC[C@H](C)C[C@H](CO)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609185242 1019367815 /nfs/dbraw/zinc/36/78/15/1019367815.db2.gz CPMVVVBDRIPZTK-LPEHRKFASA-N -1 0 322.373 -0.068 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc2c(c1)C(=O)CCO2 ZINC001575041287 1019368176 /nfs/dbraw/zinc/36/81/76/1019368176.db2.gz KOFJVRUZQYAIFJ-JTQLQIEISA-N -1 0 315.303 -0.624 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NS(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC001575039396 1019368286 /nfs/dbraw/zinc/36/82/86/1019368286.db2.gz JYIVPEVEGBGJQQ-NQMVMOMDSA-N -1 0 302.352 -0.468 20 0 DBADRM CCC1(O)CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001609198409 1019368875 /nfs/dbraw/zinc/36/88/75/1019368875.db2.gz YMCBHKSUJVFAQC-UHFFFAOYSA-N -1 0 306.330 -0.778 20 0 DBADRM CC[C@@]1(O)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001609197948 1019369612 /nfs/dbraw/zinc/36/96/12/1019369612.db2.gz DFVSVOZQCJLPMX-LLVKDONJSA-N -1 0 313.339 -0.005 20 0 DBADRM CC[C@H](C)[C@](C)(O)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609184059 1019370979 /nfs/dbraw/zinc/37/09/79/1019370979.db2.gz ORSSPFWDZWEDMC-MWODSPESSA-N -1 0 322.373 -0.068 20 0 DBADRM CCCn1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)cn1 ZINC001609218613 1019375170 /nfs/dbraw/zinc/37/51/70/1019375170.db2.gz XABYKDSJWMCBML-UHFFFAOYSA-N -1 0 316.329 -0.505 20 0 DBADRM CCN(CC(=O)OC)Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001609221755 1019376368 /nfs/dbraw/zinc/37/63/68/1019376368.db2.gz SSHFNXUTYCZFND-UHFFFAOYSA-N -1 0 306.326 -0.211 20 0 DBADRM CCCNC(=O)[C@@H](C)OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609215653 1019376962 /nfs/dbraw/zinc/37/69/62/1019376962.db2.gz XJRPLBINFSQBRG-HTQZYQBOSA-N -1 0 322.329 -0.523 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001505615552 1019377472 /nfs/dbraw/zinc/37/74/72/1019377472.db2.gz SBXYZIMQZDOUNI-HTQZYQBOSA-N -1 0 309.326 -0.340 20 0 DBADRM CCCc1nc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)co1 ZINC001609217886 1019379625 /nfs/dbraw/zinc/37/96/25/1019379625.db2.gz UXAWJZPXIWOZFI-UHFFFAOYSA-N -1 0 317.313 -0.171 20 0 DBADRM CCN(CC(C)C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001609222245 1019379787 /nfs/dbraw/zinc/37/97/87/1019379787.db2.gz SIQVLWXVBWADFX-UHFFFAOYSA-N -1 0 307.358 -0.254 20 0 DBADRM CCOC(=O)CCC(=O)COc1cnc(-c2nnn[n-]2)nc1 ZINC001609232278 1019381700 /nfs/dbraw/zinc/38/17/00/1019381700.db2.gz KYDMMDMXUMVDHZ-UHFFFAOYSA-N -1 0 306.282 -0.052 20 0 DBADRM CCOC(=O)CCCCn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001609233322 1019384438 /nfs/dbraw/zinc/38/44/38/1019384438.db2.gz RIRAIPBGIQOYQZ-UHFFFAOYSA-N -1 0 308.298 -0.138 20 0 DBADRM CCc1onc(C)c1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001609256434 1019390010 /nfs/dbraw/zinc/39/00/10/1019390010.db2.gz JHAACBLQOGNKQU-UHFFFAOYSA-N -1 0 303.286 -0.044 20 0 DBADRM CCOc1nccnc1NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609246971 1019390360 /nfs/dbraw/zinc/39/03/60/1019390360.db2.gz PEWXUUTZAHXXJC-UHFFFAOYSA-N -1 0 302.302 -0.241 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCc2cncs2)c1=O ZINC001609257597 1019391468 /nfs/dbraw/zinc/39/14/68/1019391468.db2.gz DLZCXTOXROAXEH-UHFFFAOYSA-N -1 0 319.350 -0.091 20 0 DBADRM CCc1nnc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)s1 ZINC001609255229 1019392123 /nfs/dbraw/zinc/39/21/23/1019392123.db2.gz GVJOVAIXZZESMZ-UHFFFAOYSA-N -1 0 320.342 -0.812 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCOCC2CC2)c1=O ZINC001609258245 1019392967 /nfs/dbraw/zinc/39/29/67/1019392967.db2.gz YNKJNQRLBJLTPK-UHFFFAOYSA-N -1 0 306.326 -0.363 20 0 DBADRM CO[C@H](CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001609308975 1019417986 /nfs/dbraw/zinc/41/79/86/1019417986.db2.gz INRPKRXESIPTLK-IONNQARKSA-N -1 0 306.330 -0.440 20 0 DBADRM COC(C)(C)CNS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001609308008 1019419655 /nfs/dbraw/zinc/41/96/55/1019419655.db2.gz ZJKPEZYCGAJGLP-UHFFFAOYSA-N -1 0 312.355 -0.035 20 0 DBADRM COC(=O)CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609299221 1019420777 /nfs/dbraw/zinc/42/07/77/1019420777.db2.gz FEVZLKUZRJJXJC-UHFFFAOYSA-N -1 0 301.284 -0.747 20 0 DBADRM CO[C@@H](CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001609308973 1019422075 /nfs/dbraw/zinc/42/20/75/1019422075.db2.gz INRPKRXESIPTLK-APPZFPTMSA-N -1 0 306.330 -0.440 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CCC2(O)CC2)c1 ZINC001609301972 1019423887 /nfs/dbraw/zinc/42/38/87/1019423887.db2.gz LMRVAHHKZJIDQM-UHFFFAOYSA-N -1 0 305.294 -0.270 20 0 DBADRM CO[C@H](CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1)C(C)C ZINC001609310999 1019428073 /nfs/dbraw/zinc/42/80/73/1019428073.db2.gz QTNAXHJOTBPPKS-SECBINFHSA-N -1 0 323.361 -0.572 20 0 DBADRM COCCCCCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609322987 1019429310 /nfs/dbraw/zinc/42/93/10/1019429310.db2.gz VZWFJXIYIRMGAE-UHFFFAOYSA-N -1 0 323.361 -0.426 20 0 DBADRM COC[C@@H](O)CCNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609318213 1019430197 /nfs/dbraw/zinc/43/01/97/1019430197.db2.gz VCOUEPXSWFMLSX-VIFPVBQESA-N -1 0 307.310 -0.301 20 0 DBADRM COC[C@H]1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001609320069 1019432543 /nfs/dbraw/zinc/43/25/43/1019432543.db2.gz WNNATEDGELMZCT-VIFPVBQESA-N -1 0 324.366 -0.081 20 0 DBADRM COc1ccc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)cn1 ZINC001609352246 1019445517 /nfs/dbraw/zinc/44/55/17/1019445517.db2.gz SVGKMUXCGMWVHM-UHFFFAOYSA-N -1 0 315.297 -0.708 20 0 DBADRM Cc1ccc(O)c(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC001609426993 1019455259 /nfs/dbraw/zinc/45/52/59/1019455259.db2.gz DNLLADSVIVNKIF-UHFFFAOYSA-N -1 0 301.270 -0.494 20 0 DBADRM Cc1csc(=O)n1CCn1cnc(-c2nnn[n-]2)cc1=O ZINC001609442227 1019458756 /nfs/dbraw/zinc/45/87/56/1019458756.db2.gz XOIDJHNVIDJBAV-UHFFFAOYSA-N -1 0 305.323 -0.345 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2[C@@H]3CCC[C@@H]32)n(C)c1=O ZINC001609476483 1019473573 /nfs/dbraw/zinc/47/35/73/1019473573.db2.gz GJQCRCZUGGQCBC-SRSLHRDFSA-N -1 0 303.326 -0.526 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC001609477164 1019477114 /nfs/dbraw/zinc/47/71/14/1019477114.db2.gz CXISMEYVFOEJBR-UHFFFAOYSA-N -1 0 302.269 -0.086 20 0 DBADRM FC(F)(F)CNC(=S)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609483889 1019479159 /nfs/dbraw/zinc/47/91/59/1019479159.db2.gz CCQZTKQUYKXSQP-UHFFFAOYSA-N -1 0 321.292 -0.515 20 0 DBADRM NC(=O)[C@H](NCCn1cnc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001609501226 1019489616 /nfs/dbraw/zinc/48/96/16/1019489616.db2.gz IRVAFBNIBNISOW-SNVBAGLBSA-N -1 0 313.325 -0.726 20 0 DBADRM Nc1ccc2c(ncnc2NCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001609513257 1019493519 /nfs/dbraw/zinc/49/35/19/1019493519.db2.gz XGFZKOCKIISODC-UHFFFAOYSA-N -1 0 324.312 -0.509 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ncccc1F ZINC001609538007 1019500348 /nfs/dbraw/zinc/50/03/48/1019500348.db2.gz JZMCLWLXIIFMKR-UHFFFAOYSA-N -1 0 303.261 -0.691 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC001609537398 1019502788 /nfs/dbraw/zinc/50/27/88/1019502788.db2.gz ODVHLACVPCDWFL-UWVGGRQHSA-N -1 0 318.341 -0.514 20 0 DBADRM O=C(Cn1cnnc1-c1nnn[n-]1)NCc1ccccc1F ZINC001609538376 1019506462 /nfs/dbraw/zinc/50/64/62/1019506462.db2.gz JBCVMMFQUULBAY-UHFFFAOYSA-N -1 0 302.273 -0.086 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCCOCC1CC1 ZINC001609538072 1019506962 /nfs/dbraw/zinc/50/69/62/1019506962.db2.gz QCCJLWMHCZZFFV-UHFFFAOYSA-N -1 0 306.330 -0.609 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ocnc1C1CC1 ZINC001609552228 1019511739 /nfs/dbraw/zinc/51/17/39/1019511739.db2.gz DYCBPRGKKSBCBD-UHFFFAOYSA-N -1 0 315.297 -0.246 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NC[C@@H]1CCN1C(=O)C1CC1 ZINC001505788752 1019513886 /nfs/dbraw/zinc/51/38/86/1019513886.db2.gz DURDXVZBDHGCHD-VIFPVBQESA-N -1 0 321.337 -0.658 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001609571671 1019516783 /nfs/dbraw/zinc/51/67/83/1019516783.db2.gz PXMGTKMIAXOCFP-VIFPVBQESA-N -1 0 324.322 -0.501 20 0 DBADRM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC001609591317 1019523462 /nfs/dbraw/zinc/52/34/62/1019523462.db2.gz RZMNPECPGZHTMF-LLVKDONJSA-N -1 0 321.399 -0.562 20 0 DBADRM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC001609591318 1019527347 /nfs/dbraw/zinc/52/73/47/1019527347.db2.gz RZMNPECPGZHTMF-NSHDSACASA-N -1 0 321.399 -0.562 20 0 DBADRM O=S(=O)(NC1(CCO)CC1)c1cccnc1-c1nnn[n-]1 ZINC001609594098 1019527540 /nfs/dbraw/zinc/52/75/40/1019527540.db2.gz VLAGVNBYVTVKHN-UHFFFAOYSA-N -1 0 310.339 -0.545 20 0 DBADRM O=c1[n-]c([C@H]2CCCN(c3cnc(-c4nn[nH]n4)cn3)C2)n[nH]1 ZINC001609605126 1019529528 /nfs/dbraw/zinc/52/95/28/1019529528.db2.gz JYBBCOOBWLLCAF-ZETCQYMHSA-N -1 0 314.313 -0.136 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001609599169 1019529754 /nfs/dbraw/zinc/52/97/54/1019529754.db2.gz KCLVVMBJOAQLCY-JQWIXIFHSA-N -1 0 321.337 -0.239 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1C(=O)c1cc[nH]c1 ZINC001505819357 1019530673 /nfs/dbraw/zinc/53/06/73/1019530673.db2.gz PQVFNCAUHCFJLQ-VIFPVBQESA-N -1 0 320.309 -0.952 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1Cc1cn(CC2CC2)nn1 ZINC001609604446 1019531334 /nfs/dbraw/zinc/53/13/34/1019531334.db2.gz QKWMRMFFRRINEA-UHFFFAOYSA-N -1 0 315.297 -0.821 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1CCOCC(F)(F)F ZINC001609604311 1019531517 /nfs/dbraw/zinc/53/15/17/1019531517.db2.gz HDWUIDYMWLEOQZ-UHFFFAOYSA-N -1 0 306.204 -0.292 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001609620327 1019533635 /nfs/dbraw/zinc/53/36/35/1019533635.db2.gz UOVZLTDUQJLXOI-UHFFFAOYSA-N -1 0 309.278 -0.719 20 0 DBADRM C[C@H](C(=O)N[C@]1(CC(=O)[O-])CCCOC1)N1CCN(C)CC1 ZINC001609634784 1019538426 /nfs/dbraw/zinc/53/84/26/1019538426.db2.gz NBOXLOXWAVDZAG-DOMZBBRYSA-N -1 0 313.398 -0.238 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)COC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001609648114 1019541702 /nfs/dbraw/zinc/54/17/02/1019541702.db2.gz NUGKCPCWOUFUKN-MRVPVSSYSA-N -1 0 323.305 -0.014 20 0 DBADRM C[C@@H](C(=O)NCC1(C(=O)[O-])CC1)S(=O)(=O)C1CCOCC1 ZINC001609636726 1019542117 /nfs/dbraw/zinc/54/21/17/1019542117.db2.gz YDDKKFARUCYNCU-VIFPVBQESA-N -1 0 319.379 -0.050 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@@H]3CC(C(=O)[O-])=NO3)[C@H]2C1 ZINC001609645838 1019542640 /nfs/dbraw/zinc/54/26/40/1019542640.db2.gz RGBGQDMWMDMWPB-ZPFDUUQYSA-N -1 0 323.349 -0.021 20 0 DBADRM C[C@@H](C(=O)OCc1noc(CCC(=O)[O-])n1)S(C)(=O)=O ZINC001609647032 1019542870 /nfs/dbraw/zinc/54/28/70/1019542870.db2.gz OOWWMMQETPJPKT-LURJTMIESA-N -1 0 306.296 -0.437 20 0 DBADRM CC(C)(C)NC(=O)N1CCN(CCC(=O)NCC(=O)[O-])CC1 ZINC001609658074 1019544216 /nfs/dbraw/zinc/54/42/16/1019544216.db2.gz WESNXAIFSFVCAV-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM CC(C)(C)C(=O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001609653057 1019544582 /nfs/dbraw/zinc/54/45/82/1019544582.db2.gz PBNIJUWTZYMMLY-UHFFFAOYSA-N -1 0 303.340 -0.139 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@H](C)C(=O)[O-])CC1 ZINC001609663152 1019544662 /nfs/dbraw/zinc/54/46/62/1019544662.db2.gz WPKVWHJTDCFGNB-RKDXNWHRSA-N -1 0 300.311 -0.671 20 0 DBADRM CC(C)(C)N1CC[C@@H](OC(=O)Cn2cc(C(=O)[O-])nn2)C1=O ZINC001609657803 1019545006 /nfs/dbraw/zinc/54/50/06/1019545006.db2.gz HTNRGRNSTBWSEJ-SECBINFHSA-N -1 0 310.310 -0.081 20 0 DBADRM CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])C1 ZINC001609660040 1019545465 /nfs/dbraw/zinc/54/54/65/1019545465.db2.gz VZKKSPIZDWHBPF-ZJUUUORDSA-N -1 0 314.338 -0.100 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)COC(=O)C1(C(=O)[O-])CC1 ZINC001609658072 1019545502 /nfs/dbraw/zinc/54/55/02/1019545502.db2.gz WBZWBZYSSUSKCN-UHFFFAOYSA-N -1 0 300.311 -0.575 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CN1CCOC[C@H]1CC(=O)[O-] ZINC001609657791 1019546064 /nfs/dbraw/zinc/54/60/64/1019546064.db2.gz HAXZQRVKILZTSI-SNVBAGLBSA-N -1 0 315.370 -0.807 20 0 DBADRM CC(C)(CS(=O)(=O)NCC(=O)NCc1ccco1)C(=O)[O-] ZINC001609677717 1019546512 /nfs/dbraw/zinc/54/65/12/1019546512.db2.gz BPELQQDCAGMLLF-UHFFFAOYSA-N -1 0 318.351 -0.074 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001609708841 1019549901 /nfs/dbraw/zinc/54/99/01/1019549901.db2.gz GOMWBDLXFWZNRH-DTORHVGOSA-N -1 0 300.311 -0.576 20 0 DBADRM CC(C)[C@@H](OC(=O)COCC(=O)[O-])C(=O)N1CCOCC1 ZINC001609687774 1019548038 /nfs/dbraw/zinc/54/80/38/1019548038.db2.gz UVFTXGDDBSLSAT-GFCCVEGCSA-N -1 0 303.311 -0.486 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)OCC(=O)N1CCN(c2cnccn2)CC1 ZINC001609706600 1019550040 /nfs/dbraw/zinc/55/00/40/1019550040.db2.gz ZMBIBRLRFIAOHQ-JTQLQIEISA-N -1 0 322.321 -0.611 20 0 DBADRM CC(C)CN(CCC(=O)[O-])CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001609698459 1019550406 /nfs/dbraw/zinc/55/04/06/1019550406.db2.gz HKOGCNSZAHRSGF-LLVKDONJSA-N -1 0 320.411 -0.278 20 0 DBADRM CC(C)OC[C@@H](CO)N(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001609710526 1019550648 /nfs/dbraw/zinc/55/06/48/1019550648.db2.gz YGBXHDCCBNCIKW-SNVBAGLBSA-N -1 0 312.388 -0.645 20 0 DBADRM CC(C)CNC(=O)CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001609699689 1019551502 /nfs/dbraw/zinc/55/15/02/1019551502.db2.gz ZODAIDUWWLKCIN-UHFFFAOYSA-N -1 0 321.380 -0.108 20 0 DBADRM CC(C)CN1CCN(S(=O)(=O)CCCC(=O)[O-])CC1=O ZINC001609699182 1019551618 /nfs/dbraw/zinc/55/16/18/1019551618.db2.gz VYSRNLOEGUSOHK-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM CC(C)C[C@H](NC(=O)CNS(=O)(=O)N1CCC1)C(=O)[O-] ZINC001609702379 1019552456 /nfs/dbraw/zinc/55/24/56/1019552456.db2.gz CCQHLXLZWZXIBH-VIFPVBQESA-N -1 0 307.372 -0.858 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1=O ZINC001609706158 1019552591 /nfs/dbraw/zinc/55/25/91/1019552591.db2.gz WYHARAZORJEMKC-VWYCJHECSA-N -1 0 313.354 -0.527 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)CN(C)c1ncccn1)C(=O)[O-] ZINC001609716512 1019553648 /nfs/dbraw/zinc/55/36/48/1019553648.db2.gz KXMLICHAJPYYNA-LBPRGKRZSA-N -1 0 324.337 -0.319 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-])c1 ZINC001609724359 1019554028 /nfs/dbraw/zinc/55/40/28/1019554028.db2.gz LWWREUMPEVZEFV-VIFPVBQESA-N -1 0 305.356 -0.034 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC[C@@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC001609716336 1019554378 /nfs/dbraw/zinc/55/43/78/1019554378.db2.gz DUFZTKBQRFJDNB-KOLCDFICSA-N -1 0 306.384 -0.669 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC001609731886 1019554643 /nfs/dbraw/zinc/55/46/43/1019554643.db2.gz HRWJPIOWNQPXEQ-NXEZZACHSA-N -1 0 321.399 -0.516 20 0 DBADRM CC(C)[C@H](NC(=O)CN1C[C@@H](C)S(=O)(=O)[C@H](C)C1)C(=O)[O-] ZINC001609716773 1019556002 /nfs/dbraw/zinc/55/60/02/1019556002.db2.gz TZAUQRHLLUTYDD-FOGDFJRCSA-N -1 0 320.411 -0.281 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@H](O)c1cccnc1)C(=O)[O-] ZINC001609716403 1019556146 /nfs/dbraw/zinc/55/61/46/1019556146.db2.gz HGLUYKAWTFIIOH-NWDGAFQWSA-N -1 0 310.306 -0.116 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001609737322 1019556172 /nfs/dbraw/zinc/55/61/72/1019556172.db2.gz SLTDMJIARUZENH-QMMMGPOBSA-N -1 0 307.306 -0.049 20 0 DBADRM CC(C)[C@H](NC(=O)CN(C)C[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001609715937 1019556356 /nfs/dbraw/zinc/55/63/56/1019556356.db2.gz KYFPYDBUBVLKIX-PWSUYJOCSA-N -1 0 320.411 -0.422 20 0 DBADRM CC(C)n1nccc1NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001609725155 1019556541 /nfs/dbraw/zinc/55/65/41/1019556541.db2.gz MWPAZUIVIALYFI-UWVGGRQHSA-N -1 0 324.337 -0.304 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC[C@@H](CS(C)(=O)=O)C1)C(=O)[O-] ZINC001609716924 1019556738 /nfs/dbraw/zinc/55/67/38/1019556738.db2.gz YVVXUYFFNWEYRZ-PWSUYJOCSA-N -1 0 320.411 -0.422 20 0 DBADRM C[C@H](Cc1ccco1)NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001609749104 1019557539 /nfs/dbraw/zinc/55/75/39/1019557539.db2.gz APKGWADVLRDAHL-VWYCJHECSA-N -1 0 324.333 -0.379 20 0 DBADRM C[C@H](CNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)Cn1cccn1 ZINC001609745636 1019557876 /nfs/dbraw/zinc/55/78/76/1019557876.db2.gz YQBGIVJOSSWWJU-GRYCIOLGSA-N -1 0 310.354 -0.004 20 0 DBADRM C[C@@H](CN1CCOCC1)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001609743054 1019558572 /nfs/dbraw/zinc/55/85/72/1019558572.db2.gz BXRWLDZCLJRHES-VIFPVBQESA-N -1 0 318.351 -0.023 20 0 DBADRM C[C@H](CO)CCCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001609747891 1019558648 /nfs/dbraw/zinc/55/86/48/1019558648.db2.gz YQOQPBMNVIWFGY-WDEREUQCSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@H](C)S(=O)(=O)CC1)C(=O)[O-] ZINC001609747223 1019558736 /nfs/dbraw/zinc/55/87/36/1019558736.db2.gz HSBAPIYTQFFUJU-BDAKNGLRSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001609749463 1019558981 /nfs/dbraw/zinc/55/89/81/1019558981.db2.gz IZZCNGSKIYCFLA-VOKTVRLQSA-N -1 0 306.384 -0.380 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C)C(=O)[O-] ZINC001609747605 1019559087 /nfs/dbraw/zinc/55/90/87/1019559087.db2.gz MOHINEYMSJVRKN-GRYCIOLGSA-N -1 0 320.411 -0.168 20 0 DBADRM C[C@@H](CO)CCCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001609747889 1019559580 /nfs/dbraw/zinc/55/95/80/1019559580.db2.gz YQOQPBMNVIWFGY-MNOVXSKESA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001609737389 1019560037 /nfs/dbraw/zinc/56/00/37/1019560037.db2.gz WLBHQCMTTRUOMA-ZCFIWIBFSA-N -1 0 311.269 -0.158 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ncn(C)n1 ZINC001609756335 1019562416 /nfs/dbraw/zinc/56/24/16/1019562416.db2.gz DCRYVYQAGFCHCG-DTWKUNHWSA-N -1 0 309.326 -0.542 20 0 DBADRM C[C@](O)(CNC(=O)CN1Cc2ccccc2OC1=O)C(=O)[O-] ZINC001609784212 1019562508 /nfs/dbraw/zinc/56/25/08/1019562508.db2.gz DHHORIMOVIWYHH-AWEZNQCLSA-N -1 0 308.290 -0.047 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@@]2(CC(=O)[O-])CCCOC2)nn1 ZINC001609790870 1019564058 /nfs/dbraw/zinc/56/40/58/1019564058.db2.gz JWUPYWPSSQAYFL-TVQRCGJNSA-N -1 0 312.326 -0.529 20 0 DBADRM C[C@@H](OC(=O)C1(C(=O)[O-])CC1)C(=O)N1CCC(C(N)=O)CC1 ZINC001609788709 1019564375 /nfs/dbraw/zinc/56/43/75/1019564375.db2.gz DOOJQRPCMILILZ-MRVPVSSYSA-N -1 0 312.322 -0.493 20 0 DBADRM C[C@H](O)CN(CCO)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001609787817 1019564815 /nfs/dbraw/zinc/56/48/15/1019564815.db2.gz SJBYDBYSCJTISK-QMMMGPOBSA-N -1 0 317.367 -0.616 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001609789248 1019565131 /nfs/dbraw/zinc/56/51/31/1019565131.db2.gz FRUJEFHYEWGNRK-QWRGUYRKSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@@H](OC(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)NCC(=O)[O-] ZINC001609791498 1019566908 /nfs/dbraw/zinc/56/69/08/1019566908.db2.gz APWPQVYXGPJEJT-RKDXNWHRSA-N -1 0 321.351 -0.666 20 0 DBADRM C[C@H](OC(=O)CCCS(N)(=O)=O)C(=O)C(C)(C)C(=O)[O-] ZINC001609793899 1019567170 /nfs/dbraw/zinc/56/71/70/1019567170.db2.gz TVVGHCMNURLINZ-ZETCQYMHSA-N -1 0 309.340 -0.333 20 0 DBADRM C[C@@H](OC(=O)CNC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC001609795321 1019567188 /nfs/dbraw/zinc/56/71/88/1019567188.db2.gz XSVRAKSGCNGMOK-SSDOTTSWSA-N -1 0 304.299 -0.356 20 0 DBADRM C[C@@H](O)CN1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001609791271 1019568134 /nfs/dbraw/zinc/56/81/34/1019568134.db2.gz OHDQGZJQNWISGK-LLVKDONJSA-N -1 0 322.365 -0.283 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CCc2cnn(C)c2C1)C(=O)NCC(=O)[O-] ZINC001609791968 1019568167 /nfs/dbraw/zinc/56/81/67/1019568167.db2.gz DMIFCRTWOWCUPO-RKDXNWHRSA-N -1 0 309.322 -0.343 20 0 DBADRM COc1ccc(-n2cc(C(=O)[N-]N3CC(=O)NC3=O)nn2)cc1 ZINC001609792843 1019568199 /nfs/dbraw/zinc/56/81/99/1019568199.db2.gz RDHOCUHLUADJAP-UHFFFAOYSA-N -1 0 316.277 -0.528 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)O[C@H](C)C(=O)C(C)(C)C(=O)[O-])nn1 ZINC001609798899 1019568869 /nfs/dbraw/zinc/56/88/69/1019568869.db2.gz LHJXODMCZGGCPF-HTQZYQBOSA-N -1 0 313.310 -0.057 20 0 DBADRM C[C@H](OC(=O)c1ccncc1C(=O)[O-])C(=O)N1CCNC1=O ZINC001609803652 1019569793 /nfs/dbraw/zinc/56/97/93/1019569793.db2.gz ZBIQQSWCLDIQIU-ZETCQYMHSA-N -1 0 307.262 -0.123 20 0 DBADRM CC(C)Cc1noc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001609813755 1019570225 /nfs/dbraw/zinc/57/02/25/1019570225.db2.gz WWNQQACNAAIESN-VIFPVBQESA-N -1 0 317.367 -0.048 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)CNS(=O)(=O)c2cccs2)C1 ZINC001609812269 1019572109 /nfs/dbraw/zinc/57/21/09/1019572109.db2.gz SIAGFYGJYHMJKT-UHFFFAOYSA-N -1 0 318.376 -0.041 20 0 DBADRM C[C@@]1(CCCC(=O)N[C@@H](CC(F)F)C(=O)[O-])NC(=O)NC1=O ZINC001609823660 1019573083 /nfs/dbraw/zinc/57/30/83/1019573083.db2.gz QMBUPRWYXKDJKB-QTTZVWFDSA-N -1 0 321.280 -0.021 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001609830460 1019573133 /nfs/dbraw/zinc/57/31/33/1019573133.db2.gz KVQBSTDRPADMHZ-QMMMGPOBSA-N -1 0 322.321 -0.649 20 0 DBADRM CC1(C)CN(CN2C[C@@H](C(=O)[O-])OC2=O)CCS1(=O)=O ZINC001609817804 1019573958 /nfs/dbraw/zinc/57/39/58/1019573958.db2.gz CGEZNRLBIOCUGV-QMMMGPOBSA-N -1 0 306.340 -0.642 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001609831720 1019574088 /nfs/dbraw/zinc/57/40/88/1019574088.db2.gz VTXBTTQUGVQWLA-LKFCYVNXSA-N -1 0 311.338 -0.654 20 0 DBADRM C[C@]1(CO)CCCN1C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001609822022 1019574439 /nfs/dbraw/zinc/57/44/39/1019574439.db2.gz JYCRFSJICKZUSM-IINYFYTJSA-N -1 0 314.338 -0.938 20 0 DBADRM CC1(Cn2cc(C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)nn2)COC1 ZINC001609821260 1019574742 /nfs/dbraw/zinc/57/47/42/1019574742.db2.gz DDSZXCGCEMXDRM-VHSXEESVSA-N -1 0 324.337 -0.778 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NCCC1CS(=O)(=O)C1 ZINC001609830977 1019574758 /nfs/dbraw/zinc/57/47/58/1019574758.db2.gz HTYSFKDGAOZUAV-PSASIEDQSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCN(CC2CC2)CC1 ZINC001609835115 1019577873 /nfs/dbraw/zinc/57/78/73/1019577873.db2.gz PGXBQYJPPSNYPN-DGCLKSJQSA-N -1 0 323.393 -0.138 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)C[C@@H]1O ZINC001609862605 1019578601 /nfs/dbraw/zinc/57/86/01/1019578601.db2.gz JGQCERWXVLAKOG-CABZTGNLSA-N -1 0 322.317 -0.072 20 0 DBADRM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1C(=O)Cn1ncn(C)c1=O ZINC001609848576 1019578960 /nfs/dbraw/zinc/57/89/60/1019578960.db2.gz GBJHJHJILIXHCK-RCWTZXSCSA-N -1 0 324.337 -0.797 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC[S@]1=O ZINC001609860541 1019580443 /nfs/dbraw/zinc/58/04/43/1019580443.db2.gz NCTMLXXXUAITSP-NIVTXAMTSA-N -1 0 312.413 -0.519 20 0 DBADRM C[C@@H]1CN(CC(=O)NC2(C(=O)[O-])CCCCC2)C[C@@H](CO)O1 ZINC001609871406 1019582203 /nfs/dbraw/zinc/58/22/03/1019582203.db2.gz VNGUJOGLIJSLCD-NEPJUHHUSA-N -1 0 314.382 -0.028 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001505902352 1019583203 /nfs/dbraw/zinc/58/32/03/1019583203.db2.gz PIONHQSXJXPSTM-SECBINFHSA-N -1 0 305.342 -0.141 20 0 DBADRM C[C@@H]1CN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)CC(=O)N1 ZINC001609868180 1019583738 /nfs/dbraw/zinc/58/37/38/1019583738.db2.gz DZQLKMBOHSGPAK-PWSUYJOCSA-N -1 0 308.334 -0.055 20 0 DBADRM C/C=C/C[C@@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001609881065 1019586011 /nfs/dbraw/zinc/58/60/11/1019586011.db2.gz LAVNDDJCODYBCR-FSIBCCDJSA-N -1 0 324.337 -0.342 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)OCC(=O)NCCC(=O)[O-])C1 ZINC001609883829 1019586042 /nfs/dbraw/zinc/58/60/42/1019586042.db2.gz SAFXEZXQTUODOE-JTQLQIEISA-N -1 0 314.338 -0.231 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC001609881619 1019586386 /nfs/dbraw/zinc/58/63/86/1019586386.db2.gz BAIYWAAPIUJHNL-SNVBAGLBSA-N -1 0 313.354 -0.515 20 0 DBADRM C[C@H]1NC(=O)N(CCOC(=O)c2ccc(C(=O)[O-])n2C)C1=O ZINC001609879188 1019586427 /nfs/dbraw/zinc/58/64/27/1019586427.db2.gz PGBSUYQUBAWACY-SSDOTTSWSA-N -1 0 309.278 -0.180 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)N[C@H](CC(=O)OC)C(=O)[O-])C1 ZINC001609882935 1019586740 /nfs/dbraw/zinc/58/67/40/1019586740.db2.gz KVLLVNYLPIXHPC-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@H]1OCC[C@@]12CN(C(=O)Cn1cc(C(=O)[O-])nn1)CCO2 ZINC001609878957 1019586859 /nfs/dbraw/zinc/58/68/59/1019586859.db2.gz NYNLCFQMWNFXKZ-NOZJJQNGSA-N -1 0 310.310 -0.617 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC001609877634 1019587565 /nfs/dbraw/zinc/58/75/65/1019587565.db2.gz AZIOZBMSLSDGKK-NGZCFLSTSA-N -1 0 300.311 -0.034 20 0 DBADRM CCC(=O)N1CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC001609883087 1019587669 /nfs/dbraw/zinc/58/76/69/1019587669.db2.gz MWNLRHRXNXPBJC-UHFFFAOYSA-N -1 0 313.335 -0.020 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CCO1 ZINC001575475847 1019588852 /nfs/dbraw/zinc/58/88/52/1019588852.db2.gz ZFNSBBIXGMULBZ-UFBFGSQYSA-N -1 0 319.321 -0.206 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)[C@H](C)NS(C)(=O)=O ZINC001609913664 1019588805 /nfs/dbraw/zinc/58/88/05/1019588805.db2.gz NXSUHZBDRVGHDN-QMMMGPOBSA-N -1 0 323.367 -0.073 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC001609891159 1019589255 /nfs/dbraw/zinc/58/92/55/1019589255.db2.gz KLGCMTKRASCRQV-MRVPVSSYSA-N -1 0 303.340 -0.023 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NC[C@H](O)C(=O)[O-] ZINC001609908926 1019589291 /nfs/dbraw/zinc/58/92/91/1019589291.db2.gz FSYTUUWDMPWPOS-VWYCJHECSA-N -1 0 315.370 -0.232 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@H](C)O[C@H](CO)C1)C(=O)[O-] ZINC001609897963 1019589638 /nfs/dbraw/zinc/58/96/38/1019589638.db2.gz AZGOJQKOJHGWHM-ZPFDUUQYSA-N -1 0 302.371 -0.317 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)Nc1cc(N(C)C)ncn1)C(=O)[O-] ZINC001609887390 1019590074 /nfs/dbraw/zinc/59/00/74/1019590074.db2.gz HWEKWSSAVTVHNQ-MRVPVSSYSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N(C)CCC(=O)[O-] ZINC001609904038 1019590243 /nfs/dbraw/zinc/59/02/43/1019590243.db2.gz XJOFSQJRUMIJNB-NSHDSACASA-N -1 0 315.370 -0.901 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)N[C@@H](CF)C(=O)[O-])C1=O ZINC001609941106 1019592156 /nfs/dbraw/zinc/59/21/56/1019592156.db2.gz GMXKPQNCPOYVOY-ZETCQYMHSA-N -1 0 303.290 -0.364 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@H](C)[S@@]1=O ZINC001609948126 1019592578 /nfs/dbraw/zinc/59/25/78/1019592578.db2.gz UMJPLVLJVYLGQS-JYFUKTADSA-N -1 0 314.367 -0.266 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)N[C@H](CF)C(=O)[O-])C1=O ZINC001609941105 1019592809 /nfs/dbraw/zinc/59/28/09/1019592809.db2.gz GMXKPQNCPOYVOY-SSDOTTSWSA-N -1 0 303.290 -0.364 20 0 DBADRM CC[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@@]2(CCOC2)O1 ZINC001609948129 1019593403 /nfs/dbraw/zinc/59/34/03/1019593403.db2.gz UPMXHVXHJLUXDK-IINYFYTJSA-N -1 0 324.337 -0.227 20 0 DBADRM CC[C@H](CSC)NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001609923938 1019593503 /nfs/dbraw/zinc/59/35/03/1019593503.db2.gz BMDSTJZMWLJGQG-OPRDCNLKSA-N -1 0 318.395 -0.462 20 0 DBADRM C[C@H](OC(=O)[C@@H](C)C(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001609972108 1019594568 /nfs/dbraw/zinc/59/45/68/1019594568.db2.gz ATENYPIDLHRCES-XHNCKOQMSA-N -1 0 321.351 -0.716 20 0 DBADRM CCCN1C[C@H](C(=O)NCCn2cc(C(=O)[O-])nn2)CC1=O ZINC001609977490 1019594861 /nfs/dbraw/zinc/59/48/61/1019594861.db2.gz DFHPKUFCEQRSSP-SECBINFHSA-N -1 0 309.326 -0.649 20 0 DBADRM CC[C@H]1CCN(C(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC001609953022 1019595089 /nfs/dbraw/zinc/59/50/89/1019595089.db2.gz XCNQMDCDPZXINJ-JQWIXIFHSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H](OC(=O)[C@@H](C)C(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001609972105 1019595231 /nfs/dbraw/zinc/59/52/31/1019595231.db2.gz ATENYPIDLHRCES-CIUDSAMLSA-N -1 0 321.351 -0.716 20 0 DBADRM CCCN(C)S(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001609975720 1019595967 /nfs/dbraw/zinc/59/59/67/1019595967.db2.gz YOOJLSZZXMEQFO-SECBINFHSA-N -1 0 307.372 -0.762 20 0 DBADRM CCC[C@](C)(NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001609954166 1019596741 /nfs/dbraw/zinc/59/67/41/1019596741.db2.gz ZFKVNNLYVLODCR-MFKMUULPSA-N -1 0 320.411 -0.135 20 0 DBADRM CCCC[C@H](C(=O)[O-])S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1O ZINC001609962877 1019596894 /nfs/dbraw/zinc/59/68/94/1019596894.db2.gz OPZSCOLNWBLIBR-HLTSFMKQSA-N -1 0 314.381 -0.798 20 0 DBADRM CCN1CCN(CC(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(=O)C1=O ZINC001610005668 1019597413 /nfs/dbraw/zinc/59/74/13/1019597413.db2.gz KRFMQVQDGXSKHS-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM CCCc1c(C(=O)NC[C@H](O)C(=O)NC)[nH]c(C)c1C(=O)[O-] ZINC001609986242 1019597695 /nfs/dbraw/zinc/59/76/95/1019597695.db2.gz QWYGNPAIRNDHLX-VIFPVBQESA-N -1 0 311.338 -0.189 20 0 DBADRM CCN(C[C@H](O)C(F)(F)F)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001609994148 1019598176 /nfs/dbraw/zinc/59/81/76/1019598176.db2.gz KCXUPFXAQDGWRP-ZETCQYMHSA-N -1 0 310.232 -0.252 20 0 DBADRM CCN(C)C(=O)CNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001609989267 1019599780 /nfs/dbraw/zinc/59/97/80/1019599780.db2.gz CYMXHLCLRCWSJZ-NSHDSACASA-N -1 0 301.343 -0.668 20 0 DBADRM CCOC(=O)[C@H](CO)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001610012822 1019601178 /nfs/dbraw/zinc/60/11/78/1019601178.db2.gz NHUZATIVGGPHHP-NSHDSACASA-N -1 0 311.290 -0.196 20 0 DBADRM CCNC(=O)NC(=O)C[NH+]1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001610008751 1019601498 /nfs/dbraw/zinc/60/14/98/1019601498.db2.gz RMWYAAGVWCJYDI-UHFFFAOYSA-N -1 0 312.326 -0.472 20 0 DBADRM CCOC(=O)CC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-] ZINC001610013128 1019601892 /nfs/dbraw/zinc/60/18/92/1019601892.db2.gz BNJNXWKPRMVQES-UHFFFAOYSA-N -1 0 315.370 -0.900 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@H]([NH3+])CCC(=O)[O-])[C@H]1CCCOC1 ZINC001610011678 1019602004 /nfs/dbraw/zinc/60/20/04/1019602004.db2.gz AYUCDBCBLNHUFK-HOSYDEDBSA-N -1 0 316.354 -0.347 20 0 DBADRM CCOC(=O)[C@@H](CO)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001610012807 1019602405 /nfs/dbraw/zinc/60/24/05/1019602405.db2.gz NHUZATIVGGPHHP-LLVKDONJSA-N -1 0 311.290 -0.196 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001610010305 1019602632 /nfs/dbraw/zinc/60/26/32/1019602632.db2.gz CGYOTELQWGWXHA-UHFFFAOYSA-N -1 0 324.289 -0.175 20 0 DBADRM CCNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001610009352 1019602674 /nfs/dbraw/zinc/60/26/74/1019602674.db2.gz OGAMFMPKJNHPHS-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM CCNC(=O)CC(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001610008910 1019602886 /nfs/dbraw/zinc/60/28/86/1019602886.db2.gz YLJUPQYZEYVWSF-UHFFFAOYSA-N -1 0 314.338 -0.041 20 0 DBADRM CCOC(=O)C1(C(=O)NC[C@](C)(O)C(=O)[O-])CCOCC1 ZINC001610013551 1019604797 /nfs/dbraw/zinc/60/47/97/1019604797.db2.gz AAMPZCYWIADUQZ-LBPRGKRZSA-N -1 0 303.311 -0.702 20 0 DBADRM CCOC(=O)CN(C)C(=O)COC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001610015886 1019605570 /nfs/dbraw/zinc/60/55/70/1019605570.db2.gz KZECQUBMFHNIRZ-UHFFFAOYSA-N -1 0 312.278 -0.109 20 0 DBADRM CCOC(=O)NCCCC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001610019264 1019605585 /nfs/dbraw/zinc/60/55/85/1019605585.db2.gz OAGYPENZFAASJI-KOLCDFICSA-N -1 0 302.327 -0.051 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(CCO)CC2)C1 ZINC001610018769 1019606410 /nfs/dbraw/zinc/60/64/10/1019606410.db2.gz NBMUXRJQDAWCGA-HNNXBMFYSA-N -1 0 312.366 -0.069 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001610032101 1019606560 /nfs/dbraw/zinc/60/65/60/1019606560.db2.gz YILFHMMFDAJMMW-ZJUUUORDSA-N -1 0 307.368 -0.241 20 0 DBADRM CCO[C@@H]1C[C@@H]1C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001610028000 1019606625 /nfs/dbraw/zinc/60/66/25/1019606625.db2.gz BEYZLBGPDDIGFO-VHSXEESVSA-N -1 0 319.379 -0.050 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccnn1COC ZINC001610033323 1019606998 /nfs/dbraw/zinc/60/69/98/1019606998.db2.gz GQMGLKJARRULEF-SECBINFHSA-N -1 0 321.355 -0.403 20 0 DBADRM CCS(=O)(=O)C1CCN([C@@H](C)C(=O)NCC(=O)[O-])CC1 ZINC001610051069 1019607913 /nfs/dbraw/zinc/60/79/13/1019607913.db2.gz LUOJTNCLCIWYRA-VIFPVBQESA-N -1 0 306.384 -0.525 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC001610048366 1019608126 /nfs/dbraw/zinc/60/81/26/1019608126.db2.gz NZFHBIGKTRFDSF-MRVPVSSYSA-N -1 0 310.397 -0.656 20 0 DBADRM C[C@]1(O)CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC001610053938 1019608314 /nfs/dbraw/zinc/60/83/14/1019608314.db2.gz NVCHIYGYOWRHGE-HZMBPMFUSA-N -1 0 314.338 -0.938 20 0 DBADRM CCSCCCNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001610052221 1019608525 /nfs/dbraw/zinc/60/85/25/1019608525.db2.gz HAJUIJGQYRTLJT-JTQLQIEISA-N -1 0 318.395 -0.052 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001610050092 1019608750 /nfs/dbraw/zinc/60/87/50/1019608750.db2.gz SUIIEICWFFLUHP-ZLVALASMSA-N -1 0 304.368 -0.807 20 0 DBADRM C[C@H]1CCCN(C(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1 ZINC001610081943 1019610513 /nfs/dbraw/zinc/61/05/13/1019610513.db2.gz ZWYWWDGJAXXTAU-WDEREUQCSA-N -1 0 318.395 -0.572 20 0 DBADRM CCn1cncc1S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001610084188 1019610785 /nfs/dbraw/zinc/61/07/85/1019610785.db2.gz PGPYLTLRLVZCTB-RKDXNWHRSA-N -1 0 303.340 -0.641 20 0 DBADRM CCn1nccc1NC(=O)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001610086477 1019610878 /nfs/dbraw/zinc/61/08/78/1019610878.db2.gz QKWFNTBMWXNXIQ-SCZZXKLOSA-N -1 0 310.310 -0.722 20 0 DBADRM CCn1cnnc1CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001610084250 1019611315 /nfs/dbraw/zinc/61/13/15/1019611315.db2.gz VPTGDTVPXQKWGM-UHFFFAOYSA-N -1 0 314.327 -0.494 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001610068614 1019611748 /nfs/dbraw/zinc/61/17/48/1019611748.db2.gz WGZABQAWMKWOOX-VIFPVBQESA-N -1 0 319.317 -0.401 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-] ZINC001610085543 1019611905 /nfs/dbraw/zinc/61/19/05/1019611905.db2.gz DYYTZGGTBYMNAS-SSDOTTSWSA-N -1 0 305.312 -0.802 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])no1 ZINC001610059360 1019611991 /nfs/dbraw/zinc/61/19/91/1019611991.db2.gz TYWLMFIIWSRYPY-WCBMZHEXSA-N -1 0 311.294 -0.388 20 0 DBADRM CCn1cccc(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1=O ZINC001610084332 1019612036 /nfs/dbraw/zinc/61/20/36/1019612036.db2.gz BVCWWPCWHZZUIT-VXGBXAGGSA-N -1 0 323.349 -0.155 20 0 DBADRM CN(C(=O)C(=O)Nc1cccc(F)c1C(=O)[O-])[C@H]1CCNC1=O ZINC001610089256 1019613407 /nfs/dbraw/zinc/61/34/07/1019613407.db2.gz CDRGNHTZXFPPHQ-VIFPVBQESA-N -1 0 323.280 -0.191 20 0 DBADRM CCn1ncc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])n1 ZINC001610087458 1019614164 /nfs/dbraw/zinc/61/41/64/1019614164.db2.gz AHDVOGUPRTUNIA-WPRPVWTQSA-N -1 0 310.310 -0.224 20 0 DBADRM CCn1cc(-c2nn(C)cc2C(=O)N[C@H](CO)C(=O)[O-])cn1 ZINC001610086794 1019614175 /nfs/dbraw/zinc/61/41/75/1019614175.db2.gz WNXTWPIAKBXNHW-SNVBAGLBSA-N -1 0 307.310 -0.521 20 0 DBADRM CCn1nccc1NC(=O)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001610086481 1019614546 /nfs/dbraw/zinc/61/45/46/1019614546.db2.gz QKWFNTBMWXNXIQ-WPRPVWTQSA-N -1 0 310.310 -0.722 20 0 DBADRM CN(C)C(=O)[C@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001610094131 1019614921 /nfs/dbraw/zinc/61/49/21/1019614921.db2.gz HSONZGWYDQHUOB-JTQLQIEISA-N -1 0 318.395 -0.019 20 0 DBADRM CCn1c(N)c(C(=O)CN2CC[C@@H](C(=O)[O-])[C@H]2C)c(=O)[nH]c1=O ZINC001610087858 1019614953 /nfs/dbraw/zinc/61/49/53/1019614953.db2.gz ZOYHTHANXKTLIX-HTQZYQBOSA-N -1 0 324.337 -0.471 20 0 DBADRM CN(C)C(=O)NCCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001610094785 1019615174 /nfs/dbraw/zinc/61/51/74/1019615174.db2.gz AUJYAOZIYHAXSG-UHFFFAOYSA-N -1 0 316.339 -0.671 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001610108708 1019617739 /nfs/dbraw/zinc/61/77/39/1019617739.db2.gz AFPDTCGXSOVXQW-CYBMUJFWSA-N -1 0 319.361 -0.080 20 0 DBADRM CN(C)c1ncccc1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001610107587 1019617829 /nfs/dbraw/zinc/61/78/29/1019617829.db2.gz GLEWNNZJLHBHJF-UHFFFAOYSA-N -1 0 304.310 -0.133 20 0 DBADRM CN([C@H]1CCNC1=O)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001610108077 1019618289 /nfs/dbraw/zinc/61/82/89/1019618289.db2.gz XIGSZOCDQFTSES-YFKPBYRVSA-N -1 0 305.337 -0.650 20 0 DBADRM CC1(C(=O)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)CCCC1 ZINC001575519925 1019618374 /nfs/dbraw/zinc/61/83/74/1019618374.db2.gz KLULGOSHPWNLRP-UHFFFAOYSA-N -1 0 309.326 -0.291 20 0 DBADRM CN(CCS(C)(=O)=O)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001610117079 1019619973 /nfs/dbraw/zinc/61/99/73/1019619973.db2.gz RNTUKAOVJQNXMH-UHFFFAOYSA-N -1 0 322.364 -0.555 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC001610114207 1019620105 /nfs/dbraw/zinc/62/01/05/1019620105.db2.gz IASSKARRILCJET-PWSUYJOCSA-N -1 0 322.383 -0.435 20 0 DBADRM CN(CC(=O)Nc1nc(CC(=O)[O-])cs1)Cc1nc[nH]n1 ZINC001610111242 1019620339 /nfs/dbraw/zinc/62/03/39/1019620339.db2.gz UESNQOCZOBIPGX-UHFFFAOYSA-N -1 0 310.339 -0.041 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001610115960 1019620391 /nfs/dbraw/zinc/62/03/91/1019620391.db2.gz AUFCHLFCNDGKEV-UHFFFAOYSA-N -1 0 315.351 -0.180 20 0 DBADRM CN(CCC(=O)NCC(=O)[O-])Cc1ncnn1CC(F)F ZINC001610115883 1019620402 /nfs/dbraw/zinc/62/04/02/1019620402.db2.gz WRPMMDOYDCKVFX-UHFFFAOYSA-N -1 0 305.285 -0.434 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC001610114267 1019620476 /nfs/dbraw/zinc/62/04/76/1019620476.db2.gz LZSCCNFQQPGGPI-VIFPVBQESA-N -1 0 321.399 -0.373 20 0 DBADRM CN(CC(=O)Nc1cccc(C(=O)[O-])c1N)S(C)(=O)=O ZINC001610111254 1019620862 /nfs/dbraw/zinc/62/08/62/1019620862.db2.gz UYNNOZDLPISSHF-UHFFFAOYSA-N -1 0 301.324 -0.203 20 0 DBADRM CN(CCO)C(=O)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001610119126 1019621593 /nfs/dbraw/zinc/62/15/93/1019621593.db2.gz UDMNGVQSJUSLOD-UHFFFAOYSA-N -1 0 306.318 -0.280 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610127271 1019623001 /nfs/dbraw/zinc/62/30/01/1019623001.db2.gz CFMUTBFBRPGEPC-GXSJLCMTSA-N -1 0 321.337 -0.239 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1=O ZINC001610132471 1019624344 /nfs/dbraw/zinc/62/43/44/1019624344.db2.gz GAKIVYKNGVPJGV-VHSXEESVSA-N -1 0 323.349 -0.953 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)c2cc(C(=O)[O-])on2)CC1 ZINC001610134581 1019625924 /nfs/dbraw/zinc/62/59/24/1019625924.db2.gz QNNGNIWMRDOLER-UHFFFAOYSA-N -1 0 310.310 -0.733 20 0 DBADRM CN1CCN([C@@H](C(=O)N[C@@H](CO)C(=O)[O-])c2ccccc2)CC1 ZINC001610136323 1019628811 /nfs/dbraw/zinc/62/88/11/1019628811.db2.gz FGXAZKGTDUNGKG-UONOGXRCSA-N -1 0 321.377 -0.463 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001610138107 1019629019 /nfs/dbraw/zinc/62/90/19/1019629019.db2.gz ABDCFTIMLDOJPT-WFJJYUMRSA-N -1 0 323.349 -0.906 20 0 DBADRM CNC(=O)c1ccc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])cn1 ZINC001610142585 1019630782 /nfs/dbraw/zinc/63/07/82/1019630782.db2.gz GPKNYJSCCADMKH-LLVKDONJSA-N -1 0 317.305 -0.479 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001610140389 1019631047 /nfs/dbraw/zinc/63/10/47/1019631047.db2.gz LSMLOVBLVYZNLA-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM CNC(=O)NCCC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC001610140630 1019631290 /nfs/dbraw/zinc/63/12/90/1019631290.db2.gz CNJJWYKFOZOSDZ-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccn2)CCO1 ZINC001610139510 1019631320 /nfs/dbraw/zinc/63/13/20/1019631320.db2.gz QIXCGCPXHXOYJH-VIFPVBQESA-N -1 0 308.294 -0.242 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)CCSCC(=O)[O-])n1 ZINC001610142084 1019631504 /nfs/dbraw/zinc/63/15/04/1019631504.db2.gz IMCXCWBCEVDLII-UHFFFAOYSA-N -1 0 301.328 -0.830 20 0 DBADRM CNC(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(O)c1 ZINC001610141207 1019631687 /nfs/dbraw/zinc/63/16/87/1019631687.db2.gz XFMNGGBNOACPOW-LLVKDONJSA-N -1 0 311.294 -0.428 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1cccc(C(=O)[O-])c1C ZINC001610147292 1019632717 /nfs/dbraw/zinc/63/27/17/1019632717.db2.gz NZLONCJYARFYLH-UHFFFAOYSA-N -1 0 301.324 -0.314 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)c2cc(C(=O)[O-])on2)CC1 ZINC001610145610 1019633112 /nfs/dbraw/zinc/63/31/12/1019633112.db2.gz ACVXDEIVEADIKA-UHFFFAOYSA-N -1 0 317.323 -0.473 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(Cc2oncc2C(=O)[O-])C1 ZINC001610145878 1019633523 /nfs/dbraw/zinc/63/35/23/1019633523.db2.gz FSWRZNSXBDLUID-QMMMGPOBSA-N -1 0 303.340 -0.114 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@](C)(COC)C(=O)[O-])co1 ZINC001610148523 1019633587 /nfs/dbraw/zinc/63/35/87/1019633587.db2.gz KOISTHVJWVUJLS-NSHDSACASA-N -1 0 320.323 -0.593 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)CC[C@H]1CCOC1 ZINC001610150716 1019634026 /nfs/dbraw/zinc/63/40/26/1019634026.db2.gz JFHQLASKNYVQJV-BDAKNGLRSA-N -1 0 309.340 -0.651 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)N[C@H](CF)C(=O)[O-])c1 ZINC001610146520 1019634212 /nfs/dbraw/zinc/63/42/12/1019634212.db2.gz ATZWETGTISVMIC-SECBINFHSA-N -1 0 304.299 -0.253 20 0 DBADRM CNS(=O)(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)C(=O)[O-])c1 ZINC001610147598 1019634237 /nfs/dbraw/zinc/63/42/37/1019634237.db2.gz RCDMZKBBWPYDJS-RXMQYKEDSA-N -1 0 304.280 -0.878 20 0 DBADRM COC(=O)[C@H](O)C1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC001610156441 1019635779 /nfs/dbraw/zinc/63/57/79/1019635779.db2.gz SQQQLPBYAAPSNE-PSASIEDQSA-N -1 0 323.367 -0.717 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CN1CCCCCCC1=O ZINC001610154600 1019635811 /nfs/dbraw/zinc/63/58/11/1019635811.db2.gz YTFSQAYLCNGNBR-SNVBAGLBSA-N -1 0 314.338 -0.088 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001610152188 1019635941 /nfs/dbraw/zinc/63/59/41/1019635941.db2.gz HRXPJYUGHAXFQM-PSASIEDQSA-N -1 0 323.367 -0.717 20 0 DBADRM COC(=O)C1(O)CCN(C(=O)Nc2ccc(C(=O)[O-])nn2)CC1 ZINC001610156833 1019636040 /nfs/dbraw/zinc/63/60/40/1019636040.db2.gz OCKHPVLTOMYFEM-UHFFFAOYSA-N -1 0 324.293 -0.293 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)c1ccn(C)n1 ZINC001610154271 1019636149 /nfs/dbraw/zinc/63/61/49/1019636149.db2.gz MSBJTJWKLOLQLI-JTQLQIEISA-N -1 0 319.277 -0.448 20 0 DBADRM COC(=O)[C@@H](CF)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001610152044 1019636166 /nfs/dbraw/zinc/63/61/66/1019636166.db2.gz WGQQTBDBONHNFU-SSDOTTSWSA-N -1 0 308.287 -0.487 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC001610240532 1019653706 /nfs/dbraw/zinc/65/37/06/1019653706.db2.gz SXIOKFDSBQIVNV-JTQLQIEISA-N -1 0 308.356 -0.668 20 0 DBADRM COC(=O)C1(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001610155998 1019636187 /nfs/dbraw/zinc/63/61/87/1019636187.db2.gz FIUNZQGDRANGDU-UHFFFAOYSA-N -1 0 300.292 -0.236 20 0 DBADRM COC(=O)C1(NC(=O)[C@H](C)CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001610157507 1019636429 /nfs/dbraw/zinc/63/64/29/1019636429.db2.gz ZPFCZVCKGRYJFQ-MRVPVSSYSA-N -1 0 321.351 -0.666 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCCC12OCCO2 ZINC001610153724 1019636560 /nfs/dbraw/zinc/63/65/60/1019636560.db2.gz TZMYWOWGQSQBHP-IUCAKERBSA-N -1 0 301.295 -0.338 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@H](C(=O)[O-])C1 ZINC001610168356 1019639910 /nfs/dbraw/zinc/63/99/10/1019639910.db2.gz HLGXYKHIKBSULR-MNOVXSKESA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)C[C@@H]1COCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001610179334 1019641437 /nfs/dbraw/zinc/64/14/37/1019641437.db2.gz AMKNSUKKZVWQKY-MRVPVSSYSA-N -1 0 309.278 -0.421 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC001610181974 1019641758 /nfs/dbraw/zinc/64/17/58/1019641758.db2.gz JPQHQFMCPKPTDI-NSHDSACASA-N -1 0 321.289 -0.339 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cc(OC(F)F)n(C)n1)C(=O)[O-] ZINC001610178071 1019641835 /nfs/dbraw/zinc/64/18/35/1019641835.db2.gz LFPLLQKEQKCXAG-ZCFIWIBFSA-N -1 0 321.236 -0.232 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CC1OCCO1 ZINC001610177496 1019641851 /nfs/dbraw/zinc/64/18/51/1019641851.db2.gz VNUXDPSPXHXTBI-DTWKUNHWSA-N -1 0 301.295 -0.386 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc(F)cc2n[nH]nc21 ZINC001610181941 1019641862 /nfs/dbraw/zinc/64/18/62/1019641862.db2.gz GVDVAXMLOKCJOW-UHFFFAOYSA-N -1 0 310.241 -0.203 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)[C@@H](C(=O)[O-])C1 ZINC001610175021 1019641946 /nfs/dbraw/zinc/64/19/46/1019641946.db2.gz ZZGUUKGOQBIJMO-OPRDCNLKSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@H]1COCCN1CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001610176327 1019642259 /nfs/dbraw/zinc/64/22/59/1019642259.db2.gz BYFDAGBOZBEUCW-KOLCDFICSA-N -1 0 302.327 -0.914 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccnc2c1nnn2C)C(=O)[O-] ZINC001610178089 1019642541 /nfs/dbraw/zinc/64/25/41/1019642541.db2.gz MRZFQRJARKVIHQ-SSDOTTSWSA-N -1 0 307.266 -0.891 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CCCc2nn(C)cc21 ZINC001610182178 1019643962 /nfs/dbraw/zinc/64/39/62/1019643962.db2.gz TZIHRNFVOKARAB-VIFPVBQESA-N -1 0 309.322 -0.074 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)c1cncc(C(=O)[O-])c1 ZINC001610183843 1019643977 /nfs/dbraw/zinc/64/39/77/1019643977.db2.gz FQRPLIYFDWCXQW-UHFFFAOYSA-N -1 0 310.262 -0.432 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cc(=O)c(OC)co1)C(=O)[O-] ZINC001610183100 1019645531 /nfs/dbraw/zinc/64/55/31/1019645531.db2.gz QFKOLLNPGJOQHU-SSDOTTSWSA-N -1 0 313.262 -0.215 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cc(C)cnc1N ZINC001610184299 1019645667 /nfs/dbraw/zinc/64/56/67/1019645667.db2.gz VLAXPJYGEJIYON-UHFFFAOYSA-N -1 0 317.323 -0.779 20 0 DBADRM COC(=O)N1CC(NS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001610187564 1019647038 /nfs/dbraw/zinc/64/70/38/1019647038.db2.gz NJRHRCVZKJDQCS-VHSXEESVSA-N -1 0 320.367 0.000 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001610190617 1019647511 /nfs/dbraw/zinc/64/75/11/1019647511.db2.gz OIBBJXQPLZZPLE-SFYZADRCSA-N -1 0 319.291 -0.725 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)CC[C@H]1CCOC1 ZINC001610193650 1019648775 /nfs/dbraw/zinc/64/87/75/1019648775.db2.gz LCOQOBIJEUKAID-NXEZZACHSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)NCC(=O)NCC(=O)[O-])CC1 ZINC001610192000 1019648792 /nfs/dbraw/zinc/64/87/92/1019648792.db2.gz HKVZCOTVUIKQIR-KYZUINATSA-N -1 0 300.311 -0.717 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cn1 ZINC001610217910 1019650197 /nfs/dbraw/zinc/65/01/97/1019650197.db2.gz LBRHYVVNOJFMRV-QMMMGPOBSA-N -1 0 309.278 -0.421 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)NCCC(=O)[O-])C[C@]2(CCOC2)O1 ZINC001610195583 1019650523 /nfs/dbraw/zinc/65/05/23/1019650523.db2.gz YKFBJSJVNWCSNC-YGRLFVJLSA-N -1 0 314.338 -0.626 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])cn1C ZINC001610206567 1019651588 /nfs/dbraw/zinc/65/15/88/1019651588.db2.gz SGEKNYNIYQHXPJ-ZETCQYMHSA-N -1 0 308.287 -0.487 20 0 DBADRM CO[C@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001610237056 1019652683 /nfs/dbraw/zinc/65/26/83/1019652683.db2.gz WMDVHSMTZANGCP-SCZZXKLOSA-N -1 0 324.337 -0.012 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@H](NCc2nc(N)nc(N)n2)C(=O)[O-])C1 ZINC001610235884 1019652933 /nfs/dbraw/zinc/65/29/33/1019652933.db2.gz RHOHSQQDJLSGPQ-XKSSXDPKSA-N -1 0 310.358 -0.216 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@H]1CCNC(=O)CC1)OC ZINC001610232045 1019653382 /nfs/dbraw/zinc/65/33/82/1019653382.db2.gz SEPNSPOQGDGQAQ-SNVBAGLBSA-N -1 0 316.354 -0.175 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)C[C@@H]1CCCC(=O)N1)OC ZINC001610229314 1019653618 /nfs/dbraw/zinc/65/36/18/1019653618.db2.gz ITRNEHRWMIXOTK-JTQLQIEISA-N -1 0 316.354 -0.033 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)c2ccn(C)n2)[C@H](C(=O)[O-])C1 ZINC001610240526 1019653952 /nfs/dbraw/zinc/65/39/52/1019653952.db2.gz SPZVCSJPLBHDAR-IUCAKERBSA-N -1 0 303.340 -0.327 20 0 DBADRM CO[C@H](C)CN(C)C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001610224756 1019654132 /nfs/dbraw/zinc/65/41/32/1019654132.db2.gz AFHAZLMZJIKCAF-MRVPVSSYSA-N -1 0 312.326 -0.292 20 0 DBADRM CO[C@@H]1CCN(CC(=O)NC[C@@H]2CCCO2)[C@H](C(=O)[O-])C1 ZINC001610238527 1019654287 /nfs/dbraw/zinc/65/42/87/1019654287.db2.gz WMDCUAVTAWQIGN-WOPDTQHZSA-N -1 0 300.355 -0.154 20 0 DBADRM COC[C@H](NC(=O)[C@](C)(O)Cn1ccc(C)cc1=O)C(=O)[O-] ZINC001610246332 1019655116 /nfs/dbraw/zinc/65/51/16/1019655116.db2.gz ZGGYKABJYGCFSJ-IINYFYTJSA-N -1 0 312.322 -0.876 20 0 DBADRM COC[C@@H](CNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)OC ZINC001610246210 1019656057 /nfs/dbraw/zinc/65/60/57/1019656057.db2.gz BHRLMJJGDRZCPN-MISXGVKJSA-N -1 0 316.354 -0.220 20 0 DBADRM COC[C@](C)(NC(=O)c1cc(S(N)(=O)=O)oc1C)C(=O)[O-] ZINC001610245852 1019656069 /nfs/dbraw/zinc/65/60/69/1019656069.db2.gz PXTUPTDRJNJXKU-NSHDSACASA-N -1 0 320.323 -0.545 20 0 DBADRM COC[C@@H](NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C1CC1 ZINC001610245989 1019656119 /nfs/dbraw/zinc/65/61/19/1019656119.db2.gz XGDSSUUVOJCVFU-SECBINFHSA-N -1 0 310.310 -0.402 20 0 DBADRM COC[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1 ZINC001610249842 1019660025 /nfs/dbraw/zinc/66/00/25/1019660025.db2.gz GZGRCWPUYCAXSX-GARJFASQSA-N -1 0 302.327 -0.325 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)C(N)=O ZINC001610250407 1019660252 /nfs/dbraw/zinc/66/02/52/1019660252.db2.gz JMGNZNNUWSPZBG-JTQLQIEISA-N -1 0 316.335 -0.528 20 0 DBADRM COCC[C@@](C)(O)CNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001610253393 1019661483 /nfs/dbraw/zinc/66/14/83/1019661483.db2.gz XIOAGAFQQWXXGJ-LLVKDONJSA-N -1 0 309.384 -0.052 20 0 DBADRM COCCCn1cnnc1S[C@H](C)C(=O)NCC(=O)[O-] ZINC001610258337 1019661544 /nfs/dbraw/zinc/66/15/44/1019661544.db2.gz LUQOQIGLMQRHQG-MRVPVSSYSA-N -1 0 302.356 -0.004 20 0 DBADRM COCCN(CCO)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001610260440 1019662308 /nfs/dbraw/zinc/66/23/08/1019662308.db2.gz YKNPSPWSYKJHRI-MNOVXSKESA-N -1 0 309.384 -0.100 20 0 DBADRM COCCCS(=O)(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001610256902 1019662624 /nfs/dbraw/zinc/66/26/24/1019662624.db2.gz JXSXFKBREYNOQO-NXEZZACHSA-N -1 0 323.367 -0.309 20 0 DBADRM COCCCS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001610257130 1019662727 /nfs/dbraw/zinc/66/27/27/1019662727.db2.gz WRSPTUBLLWUCSG-VHSXEESVSA-N -1 0 323.367 -0.309 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)CCO1 ZINC001610253503 1019662905 /nfs/dbraw/zinc/66/29/05/1019662905.db2.gz DRLFOYRELFPMTI-OUAUKWLOSA-N -1 0 314.338 -0.818 20 0 DBADRM COCCn1c(COC)nnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC001610265094 1019663786 /nfs/dbraw/zinc/66/37/86/1019663786.db2.gz CSGJMLFPJDUYJG-JTQLQIEISA-N -1 0 314.342 -0.249 20 0 DBADRM COCCn1cc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)ccc1=O ZINC001610267639 1019664248 /nfs/dbraw/zinc/66/42/48/1019664248.db2.gz PUFOEIFUPFNXMN-UHFFFAOYSA-N -1 0 321.293 -0.508 20 0 DBADRM COCCOCCN1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001610260917 1019664591 /nfs/dbraw/zinc/66/45/91/1019664591.db2.gz FZEKOULETQVTGI-ZJUUUORDSA-N -1 0 300.311 -0.223 20 0 DBADRM COCCn1cc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])c(C)n1 ZINC001610268129 1019664605 /nfs/dbraw/zinc/66/46/05/1019664605.db2.gz SESOINMBFDNXFW-SECBINFHSA-N -1 0 313.310 -0.416 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)n1 ZINC001610267076 1019665330 /nfs/dbraw/zinc/66/53/30/1019665330.db2.gz JGSMVDLSLKQTMX-JZYVYDRUSA-N -1 0 322.321 -0.743 20 0 DBADRM COCCO[C@H]1COCC[C@H]1NC(=O)NCC1(C(=O)[O-])CC1 ZINC001610263484 1019665575 /nfs/dbraw/zinc/66/55/75/1019665575.db2.gz MMULRRRZWFPULY-MNOVXSKESA-N -1 0 316.354 -0.029 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001610276327 1019667049 /nfs/dbraw/zinc/66/70/49/1019667049.db2.gz XXUKVAMHAWLCME-UHFFFAOYSA-N -1 0 320.298 -0.178 20 0 DBADRM CON(C)C(=O)CNC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001610275745 1019667628 /nfs/dbraw/zinc/66/76/28/1019667628.db2.gz MODAVCQXNCXEBW-MRVPVSSYSA-N -1 0 305.356 -0.535 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])nn1C ZINC001610300611 1019668046 /nfs/dbraw/zinc/66/80/46/1019668046.db2.gz WNTDYETZXPGIOM-QMMMGPOBSA-N -1 0 310.310 -0.167 20 0 DBADRM C[C@@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)N(C)CCF ZINC001506024374 1019670516 /nfs/dbraw/zinc/67/05/16/1019670516.db2.gz RLILEPLRBFVQOC-VIFPVBQESA-N -1 0 310.333 -0.523 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)C(=O)c1cnc(C(=O)[O-])cn1 ZINC001610351948 1019671536 /nfs/dbraw/zinc/67/15/36/1019671536.db2.gz HJPWZBNWHRWWRN-JTQLQIEISA-N -1 0 311.294 -0.175 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1O ZINC001610333909 1019671690 /nfs/dbraw/zinc/67/16/90/1019671690.db2.gz OKUAHZCQUKWAPZ-AOOOYVTPSA-N -1 0 322.317 -0.004 20 0 DBADRM CS(=O)(=O)CCCC(=O)N[C@H](Cn1ccnc1)C(=O)[O-] ZINC001610373657 1019673436 /nfs/dbraw/zinc/67/34/36/1019673436.db2.gz UGHAQMMACBWRRM-SECBINFHSA-N -1 0 303.340 -0.723 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001610373167 1019674010 /nfs/dbraw/zinc/67/40/10/1019674010.db2.gz PEQDMLUNBGOQFX-UHFFFAOYSA-N -1 0 308.337 -0.897 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001610373576 1019674054 /nfs/dbraw/zinc/67/40/54/1019674054.db2.gz ZRKBKMVCMMKONM-HTQZYQBOSA-N -1 0 310.310 -0.454 20 0 DBADRM CS(=O)(=O)CCNC(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC001610373737 1019674127 /nfs/dbraw/zinc/67/41/27/1019674127.db2.gz YMUSZEITMJIMPB-UHFFFAOYSA-N -1 0 320.348 -0.454 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001610375609 1019674316 /nfs/dbraw/zinc/67/43/16/1019674316.db2.gz QETZJUFSQGAHRK-RKWZHAFESA-N -1 0 302.352 -0.609 20 0 DBADRM COc1ccncc1NC(=O)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001610369983 1019674325 /nfs/dbraw/zinc/67/43/25/1019674325.db2.gz SEMBQRRGQBTNJU-GXSJLCMTSA-N -1 0 323.305 -0.535 20 0 DBADRM COc1cccn2c(=O)n(CC(=O)N[C@H](C(=O)[O-])C(C)C)nc12 ZINC001610369990 1019674391 /nfs/dbraw/zinc/67/43/91/1019674391.db2.gz VRKXNCDLFZBSGZ-NSHDSACASA-N -1 0 322.321 -0.270 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)c2cc(C(=O)[O-])no2)C1 ZINC001610372631 1019674773 /nfs/dbraw/zinc/67/47/73/1019674773.db2.gz QSHNPIXCRWXYPM-ZETCQYMHSA-N -1 0 302.308 -0.121 20 0 DBADRM CS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001610373876 1019674812 /nfs/dbraw/zinc/67/48/12/1019674812.db2.gz ZMUQXZRJBFYILK-MRVPVSSYSA-N -1 0 316.339 -0.382 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CC1 ZINC001610373286 1019674853 /nfs/dbraw/zinc/67/48/53/1019674853.db2.gz VEAXMZUFBBUYON-JOYOIKCWSA-N -1 0 317.363 -0.487 20 0 DBADRM CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001610381323 1019676317 /nfs/dbraw/zinc/67/63/17/1019676317.db2.gz UANMULHGIONUGV-IYSWYEEDSA-N -1 0 323.396 -0.193 20 0 DBADRM CS[C@H](C)CNC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001610380555 1019676723 /nfs/dbraw/zinc/67/67/23/1019676723.db2.gz OSXLJFZRZUUTEH-PSASIEDQSA-N -1 0 318.395 -0.462 20 0 DBADRM CCOc1ccccc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001610383216 1019676776 /nfs/dbraw/zinc/67/67/76/1019676776.db2.gz JFOQLCMALPSLCN-AWEZNQCLSA-N -1 0 310.306 -0.024 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCCOCC2)cnn1CC(=O)[O-] ZINC001610420294 1019679082 /nfs/dbraw/zinc/67/90/82/1019679082.db2.gz JVOQBMMOGVFUFA-UHFFFAOYSA-N -1 0 310.310 -0.536 20 0 DBADRM Cc1cc(C(=O)NCC(=O)NCC(=O)[O-])ccc1-n1cncn1 ZINC001610436193 1019679455 /nfs/dbraw/zinc/67/94/55/1019679455.db2.gz DZYWIAQZZWEUOB-UHFFFAOYSA-N -1 0 317.305 -0.494 20 0 DBADRM C[C@@H]1CN(CCN(C)CC(=O)NCCC(=O)[O-])C[C@H](C)O1 ZINC001610396029 1019680379 /nfs/dbraw/zinc/68/03/79/1019680379.db2.gz QBKJQLWXDGJUMS-TXEJJXNPSA-N -1 0 301.387 -0.382 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)cccc1C(=O)[O-] ZINC001610418417 1019680668 /nfs/dbraw/zinc/68/06/68/1019680668.db2.gz AIUBLVOUFQSDIM-VIFPVBQESA-N -1 0 319.317 -0.034 20 0 DBADRM CCN1C(=S)N=NC1CCNC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001610463017 1019681728 /nfs/dbraw/zinc/68/17/28/1019681728.db2.gz PKMAATRHTLOFFN-ZETCQYMHSA-N -1 0 313.339 -0.525 20 0 DBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N1CC[C@H](O)C1 ZINC001610477060 1019682131 /nfs/dbraw/zinc/68/21/31/1019682131.db2.gz DENAABKUSHIEHN-JTQLQIEISA-N -1 0 322.317 -0.010 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCSCC(=O)[O-])n(C)n1 ZINC001610470481 1019682673 /nfs/dbraw/zinc/68/26/73/1019682673.db2.gz BNDUOFRIJNUDMR-UHFFFAOYSA-N -1 0 300.340 -0.399 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CC(C)(C(N)=O)C1 ZINC001610439263 1019682703 /nfs/dbraw/zinc/68/27/03/1019682703.db2.gz RSMXPFMPXDFNHX-UHFFFAOYSA-N -1 0 319.317 -0.034 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC001610439167 1019683090 /nfs/dbraw/zinc/68/30/90/1019683090.db2.gz NRZIQUWWWRVLJV-VIFPVBQESA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)[C@H]2CCNC2=O)c(C(=O)[O-])[nH]1 ZINC001610467623 1019683234 /nfs/dbraw/zinc/68/32/34/1019683234.db2.gz GMRDDCVRXKACPN-QMMMGPOBSA-N -1 0 308.294 -0.693 20 0 DBADRM Cc1cc(C(=O)NC[C@H](O)C(=O)[O-])cc(S(N)(=O)=O)c1C ZINC001610436341 1019683759 /nfs/dbraw/zinc/68/37/59/1019683759.db2.gz FWWVDYGXYBMNRM-VIFPVBQESA-N -1 0 316.335 -0.874 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCC(=O)N(C)C ZINC001610485715 1019685177 /nfs/dbraw/zinc/68/51/77/1019685177.db2.gz DPIJEGVJSWPMOZ-UHFFFAOYSA-N -1 0 307.306 -0.164 20 0 DBADRM Cc1ccc(-n2cc(C(=O)NCC(=O)NCC(=O)[O-])nn2)cc1 ZINC001610481766 1019685373 /nfs/dbraw/zinc/68/53/73/1019685373.db2.gz VXRDHQJOPMLEQT-UHFFFAOYSA-N -1 0 317.305 -0.494 20 0 DBADRM Cc1ccc(C(=O)NC[C@H](O)C(=O)[O-])cc1S(C)(=O)=O ZINC001610484900 1019685642 /nfs/dbraw/zinc/68/56/42/1019685642.db2.gz NHQKALUMAYLTAO-VIFPVBQESA-N -1 0 301.320 -0.426 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(=O)[nH]1 ZINC001610504375 1019686609 /nfs/dbraw/zinc/68/66/09/1019686609.db2.gz PBQQOLYENNSWHL-VIFPVBQESA-N -1 0 323.305 -0.264 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001610549632 1019686834 /nfs/dbraw/zinc/68/68/34/1019686834.db2.gz SZUXJUHIARMQRW-UHFFFAOYSA-N -1 0 317.309 -0.436 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC001610543534 1019687020 /nfs/dbraw/zinc/68/70/20/1019687020.db2.gz SZYCEGSXEIBKGL-ZETCQYMHSA-N -1 0 309.278 -0.425 20 0 DBADRM Cc1nc2ncnn2c(C)c1C(=O)OCC(=O)NCCC(=O)[O-] ZINC001610562102 1019688515 /nfs/dbraw/zinc/68/85/15/1019688515.db2.gz ZNDABCSCTLYHSX-UHFFFAOYSA-N -1 0 321.293 -0.511 20 0 DBADRM Cc1nc(=NS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)n(C)[nH]1 ZINC001610558730 1019689281 /nfs/dbraw/zinc/68/92/81/1019689281.db2.gz XXHMQRVBNBHPOA-UHFFFAOYSA-N -1 0 300.296 -0.054 20 0 DBADRM Cc1nc(CN(C)S(=O)(=O)c2cnn(CC(=O)[O-])c2)no1 ZINC001610554950 1019689396 /nfs/dbraw/zinc/68/93/96/1019689396.db2.gz SYWLMDNRQCPXGD-UHFFFAOYSA-N -1 0 315.311 -0.520 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])n1 ZINC001610564146 1019689720 /nfs/dbraw/zinc/68/97/20/1019689720.db2.gz LTOWIDZZNCSBIL-LLVKDONJSA-N -1 0 306.322 -0.133 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])sc1C ZINC001610560056 1019690015 /nfs/dbraw/zinc/69/00/15/1019690015.db2.gz ARECDJPWZKTVSU-SFYZADRCSA-N -1 0 306.365 -0.032 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCNC1=O ZINC001610580353 1019691514 /nfs/dbraw/zinc/69/15/14/1019691514.db2.gz JNVFSHSJIOBGAD-SSDOTTSWSA-N -1 0 302.308 -0.205 20 0 DBADRM Cc1noc(CCCNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])n1 ZINC001610576088 1019692192 /nfs/dbraw/zinc/69/21/92/1019692192.db2.gz FWIYFJDQWGZFGS-SNVBAGLBSA-N -1 0 324.337 -0.107 20 0 DBADRM Cc1noc(C)c1NC(=O)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001610576082 1019692210 /nfs/dbraw/zinc/69/22/10/1019692210.db2.gz WPXDUYGPNMYJIV-WCBMZHEXSA-N -1 0 311.294 -0.334 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)nn1 ZINC001610598815 1019694986 /nfs/dbraw/zinc/69/49/86/1019694986.db2.gz AMWYSNIFPAUXEP-MRVPVSSYSA-N -1 0 305.298 -0.418 20 0 DBADRM C[C@H](CNC(=O)Cn1ccccc1=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001506054969 1019694991 /nfs/dbraw/zinc/69/49/91/1019694991.db2.gz YFASLJGCGBMGAX-SNVBAGLBSA-N -1 0 320.353 -0.691 20 0 DBADRM Cn1cc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c(=O)n(C)c1=O ZINC001610600408 1019695849 /nfs/dbraw/zinc/69/58/49/1019695849.db2.gz NSAVGWACAXIQHY-SECBINFHSA-N -1 0 311.338 -0.297 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-] ZINC001610599363 1019696158 /nfs/dbraw/zinc/69/61/58/1019696158.db2.gz WDHKFSYZSZQMCO-LURJTMIESA-N -1 0 311.747 -0.424 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@@H](O)C(F)(F)F)cc1C(=O)[O-] ZINC001610604847 1019697506 /nfs/dbraw/zinc/69/75/06/1019697506.db2.gz MZHRTYRSROWERK-SSDOTTSWSA-N -1 0 323.227 -0.299 20 0 DBADRM Cn1ccc(S(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)n1 ZINC001610609537 1019697560 /nfs/dbraw/zinc/69/75/60/1019697560.db2.gz GKRSYNMMSMMBTR-SNVBAGLBSA-N -1 0 303.340 -0.734 20 0 DBADRM Cn1ccc(CCC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)n1 ZINC001610610497 1019697683 /nfs/dbraw/zinc/69/76/83/1019697683.db2.gz YQFJANMCPIMSPD-UHFFFAOYSA-N -1 0 304.310 -0.274 20 0 DBADRM Cn1ccc(CNC(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)n1 ZINC001610608023 1019698032 /nfs/dbraw/zinc/69/80/32/1019698032.db2.gz IWNODCANSLUFMW-LLVKDONJSA-N -1 0 320.349 -0.250 20 0 DBADRM Cn1cc(N2CCN(Cc3cc(C(=O)[O-])no3)CC2=O)cn1 ZINC001610604221 1019698086 /nfs/dbraw/zinc/69/80/86/1019698086.db2.gz FKAGYIGLFIMOFZ-UHFFFAOYSA-N -1 0 305.294 -0.045 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCCOC2)c1 ZINC001610611574 1019699827 /nfs/dbraw/zinc/69/98/27/1019699827.db2.gz YXDWTDDFYBUHDX-LLVKDONJSA-N -1 0 303.340 -0.278 20 0 DBADRM Cn1cnc(CNS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC001610611275 1019699913 /nfs/dbraw/zinc/69/99/13/1019699913.db2.gz LKOKHXLCDCHZDX-DTWKUNHWSA-N -1 0 302.356 -0.122 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N[C@@H](CO)C(C)(C)C ZINC001610614053 1019700077 /nfs/dbraw/zinc/70/00/77/1019700077.db2.gz CSMLLIQQJXHFHQ-QMMMGPOBSA-N -1 0 312.326 -0.420 20 0 DBADRM Cn1ncc2cc(S(=O)(=O)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)cnc21 ZINC001610614948 1019700955 /nfs/dbraw/zinc/70/09/55/1019700955.db2.gz FRVPMNMTRSOWEE-URLYPYJESA-N -1 0 322.346 -0.081 20 0 DBADRM Cn1cnn(CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1=O ZINC001610611283 1019701302 /nfs/dbraw/zinc/70/13/02/1019701302.db2.gz GGNDVXCMSUNDSC-QMMMGPOBSA-N -1 0 310.335 -0.025 20 0 DBADRM Cn1ncc2cc(C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)cnc21 ZINC001610615491 1019703028 /nfs/dbraw/zinc/70/30/28/1019703028.db2.gz VQTQBEKRESSQDR-WDEREUQCSA-N -1 0 304.306 -0.124 20 0 DBADRM Cn1nccc1[C@H](NC[C@H](O)COC1CCOCC1)C(=O)[O-] ZINC001610616246 1019703101 /nfs/dbraw/zinc/70/31/01/1019703101.db2.gz YGMPCGAGUCKFHK-GWCFXTLKSA-N -1 0 313.354 -0.308 20 0 DBADRM Cn1nncc1C(=O)OCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001610618687 1019703380 /nfs/dbraw/zinc/70/33/80/1019703380.db2.gz ZROBZGVVIJJWMT-UHFFFAOYSA-N -1 0 305.250 -0.296 20 0 DBADRM Cn1ncc2c1nc(CN1CCOC[C@H]1CC(=O)[O-])[nH]c2=O ZINC001610615400 1019704046 /nfs/dbraw/zinc/70/40/46/1019704046.db2.gz KORQQFUVRONPFW-MRVPVSSYSA-N -1 0 307.310 -0.256 20 0 DBADRM NC(=O)[C@H]1CCCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001610634641 1019705160 /nfs/dbraw/zinc/70/51/60/1019705160.db2.gz FBVBIARHYIJKKZ-ZCFIWIBFSA-N -1 0 319.364 -0.130 20 0 DBADRM NC(=O)C[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001610635040 1019705350 /nfs/dbraw/zinc/70/53/50/1019705350.db2.gz BGTZEVTZWUXYHO-BBBLOLIVSA-N -1 0 311.338 -0.920 20 0 DBADRM NC(=O)[C@H]1CCCCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001610634995 1019705369 /nfs/dbraw/zinc/70/53/69/1019705369.db2.gz IPBZMRUHGJYUCI-SECBINFHSA-N -1 0 304.368 -0.089 20 0 DBADRM NC(=O)C1(CNC(=O)c2ccoc2CC(=O)[O-])CCOCC1 ZINC001610635150 1019705810 /nfs/dbraw/zinc/70/58/10/1019705810.db2.gz PBKBZMLYBZXAJY-UHFFFAOYSA-N -1 0 310.306 -0.081 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC001610635769 1019705908 /nfs/dbraw/zinc/70/59/08/1019705908.db2.gz QRPXLHIJELYMRW-OPRDCNLKSA-N -1 0 311.338 -0.920 20 0 DBADRM NC(=O)c1ncn(CC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC001610640732 1019709058 /nfs/dbraw/zinc/70/90/58/1019709058.db2.gz COIOZFHIXFXTJZ-VIFPVBQESA-N -1 0 315.289 -0.408 20 0 DBADRM NC(=O)NCCCCC(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001610638670 1019709446 /nfs/dbraw/zinc/70/94/46/1019709446.db2.gz VWCRNSDCXNFTKU-CYBMUJFWSA-N -1 0 301.343 -0.035 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1 ZINC001610640297 1019709917 /nfs/dbraw/zinc/70/99/17/1019709917.db2.gz JTFKSVJWVKIIEK-NXEZZACHSA-N -1 0 322.321 -0.843 20 0 DBADRM NC(=O)N1CCN2C(=O)N(Cc3ccoc3C(=O)[O-])C(=O)[C@@H]2C1 ZINC001610638551 1019709970 /nfs/dbraw/zinc/70/99/70/1019709970.db2.gz GAQYYNZECQGZII-QMMMGPOBSA-N -1 0 322.277 -0.495 20 0 DBADRM NC(=O)COCCNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001610637851 1019710226 /nfs/dbraw/zinc/71/02/26/1019710226.db2.gz OOHXIQGIARVYCA-UHFFFAOYSA-N -1 0 315.307 -0.997 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1 ZINC001610640138 1019710397 /nfs/dbraw/zinc/71/03/97/1019710397.db2.gz GPQUSGZHATUGOW-NEPJUHHUSA-N -1 0 321.333 -0.238 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCSC[C@@H](C(=O)[O-])C2)S1 ZINC001610643678 1019713152 /nfs/dbraw/zinc/71/31/52/1019713152.db2.gz UDVNUNNFUOFFCI-NKWVEPMBSA-N -1 0 317.392 -0.181 20 0 DBADRM O=C(CN1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O)NCC1CC1 ZINC001610661656 1019713819 /nfs/dbraw/zinc/71/38/19/1019713819.db2.gz FVEMRBIAVOPDMC-VHSXEESVSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C(C[C@@H]1CCCO1)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001610652132 1019714960 /nfs/dbraw/zinc/71/49/60/1019714960.db2.gz RRKNSXGOPZIQDZ-VIFPVBQESA-N -1 0 305.352 -0.296 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCC(=O)Nc2ccncc2)on1 ZINC001610656843 1019716032 /nfs/dbraw/zinc/71/60/32/1019716032.db2.gz ADCXLCRCRXEMNP-UHFFFAOYSA-N -1 0 304.262 -0.052 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)Cc1cccc(F)c1 ZINC001610676182 1019716714 /nfs/dbraw/zinc/71/67/14/1019716714.db2.gz RZUPOCSJVRVPHM-NEPJUHHUSA-N -1 0 324.308 -0.469 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)COCCNC(=O)c1ccccc1 ZINC001610669692 1019716997 /nfs/dbraw/zinc/71/69/97/1019716997.db2.gz XECLTIPLDOODDA-NSHDSACASA-N -1 0 312.297 -0.028 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)CNC(=O)Cc2ccccc2)C1 ZINC001610674610 1019717324 /nfs/dbraw/zinc/71/73/24/1019717324.db2.gz BNCJXCBUEGTPRN-QWHCGFSZSA-N -1 0 320.345 -0.361 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@H]2COc3ccccc3C2=O)nn1 ZINC001610677608 1019718417 /nfs/dbraw/zinc/71/84/17/1019718417.db2.gz ZEQNVLGKLUTORX-JTQLQIEISA-N -1 0 316.273 -0.264 20 0 DBADRM O=C([O-])c1cccc(CC(=O)N[C@@H](CO)CN2CCOCC2)c1 ZINC001610674977 1019718433 /nfs/dbraw/zinc/71/84/33/1019718433.db2.gz QVXRCOZIGDNGNW-CQSZACIVSA-N -1 0 322.361 -0.263 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NC(C2CC2)C2CC2)C1 ZINC001610681512 1019718447 /nfs/dbraw/zinc/71/84/47/1019718447.db2.gz MULSMXLAVYYNDW-WDEREUQCSA-N -1 0 310.350 -0.415 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@@H](CO)c2ccc(F)cc2)nn1 ZINC001610677032 1019718726 /nfs/dbraw/zinc/71/87/26/1019718726.db2.gz BTIUOAZXRZVTBX-NSHDSACASA-N -1 0 308.269 -0.035 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCSC1 ZINC001610683561 1019719140 /nfs/dbraw/zinc/71/91/40/1019719140.db2.gz VLGBLRQYSWKOQZ-ISVAXAHUSA-N -1 0 324.362 -0.161 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)CNC(=O)c2ccccn2)CC1 ZINC001610688160 1019719551 /nfs/dbraw/zinc/71/95/51/1019719551.db2.gz ZYAKHPHABIWVGN-UHFFFAOYSA-N -1 0 307.306 -0.751 20 0 DBADRM O=C([O-])C1(CNC(=O)NCC2CCS(=O)(=O)CC2)CC1 ZINC001610689753 1019719930 /nfs/dbraw/zinc/71/99/30/1019719930.db2.gz AGDFHLQECZEHHG-UHFFFAOYSA-N -1 0 304.368 -0.025 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCCn2cc(CO)nn2)cn1 ZINC001610693185 1019719950 /nfs/dbraw/zinc/71/99/50/1019719950.db2.gz RQMFBSGFPICQBY-UHFFFAOYSA-N -1 0 305.294 -0.316 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCC(C2CC2)C2CC2)C1 ZINC001610684533 1019720800 /nfs/dbraw/zinc/72/08/00/1019720800.db2.gz ASVFZUVUNFYCJW-VXGBXAGGSA-N -1 0 324.377 -0.167 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@@H]2CC=CCC2)C1 ZINC001610693013 1019721025 /nfs/dbraw/zinc/72/10/25/1019721025.db2.gz YOKMMCLWWYXRBB-IJLUTSLNSA-N -1 0 310.350 -0.247 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCOCCCO)cc1 ZINC001610694160 1019721299 /nfs/dbraw/zinc/72/12/99/1019721299.db2.gz UVJNTKUPCAWTDD-UHFFFAOYSA-N -1 0 310.306 -0.162 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)C2=NN(CCO)C(=O)CC2)o1 ZINC001610697630 1019721493 /nfs/dbraw/zinc/72/14/93/1019721493.db2.gz WEZSBVCBBXUHON-UHFFFAOYSA-N -1 0 309.278 -0.435 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC2CCSCC2)C1 ZINC001610688474 1019721781 /nfs/dbraw/zinc/72/17/81/1019721781.db2.gz YLJZTLNWQVNRNV-SCZZXKLOSA-N -1 0 316.379 -0.708 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC001610701451 1019722361 /nfs/dbraw/zinc/72/23/61/1019722361.db2.gz JYNPNTCKYADBIX-JTQLQIEISA-N -1 0 321.264 -0.453 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CCN3)CCO1 ZINC001610710531 1019722479 /nfs/dbraw/zinc/72/24/79/1019722479.db2.gz SQWUOFOZSFUJLM-GFCCVEGCSA-N -1 0 319.317 -0.095 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC001610721109 1019722604 /nfs/dbraw/zinc/72/26/04/1019722604.db2.gz HIWKYSBRHCJLTM-GHMZBOCLSA-N -1 0 319.379 -0.362 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)NC[C@H]2COCCO2)CC1 ZINC001610721485 1019722953 /nfs/dbraw/zinc/72/29/53/1019722953.db2.gz BPCZYHMTZKLPMO-QWRGUYRKSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)NCc2cccnc2)CC1 ZINC001610698390 1019722968 /nfs/dbraw/zinc/72/29/68/1019722968.db2.gz SERXCKBXJIHYMW-LBPRGKRZSA-N -1 0 321.333 -0.618 20 0 DBADRM O=C([O-])C1(NC(=O)C(=O)Nc2cccc3c2CNC3=O)CC1 ZINC001610710513 1019723062 /nfs/dbraw/zinc/72/30/62/1019723062.db2.gz RZVVZFBMCFEXOQ-UHFFFAOYSA-N -1 0 303.274 -0.398 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)[C@@H]2CCCNC2=O)c1[O-] ZINC001575783251 1019723231 /nfs/dbraw/zinc/72/32/31/1019723231.db2.gz ANJPRLKUZISDDT-SECBINFHSA-N -1 0 323.353 -0.814 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@]2(O)CCOC2)CCCC1 ZINC001610727165 1019723500 /nfs/dbraw/zinc/72/35/00/1019723500.db2.gz CAVDUAAZLSEDDO-GFCCVEGCSA-N -1 0 307.368 -0.298 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC001610721111 1019723532 /nfs/dbraw/zinc/72/35/32/1019723532.db2.gz HIWKYSBRHCJLTM-QWRGUYRKSA-N -1 0 319.379 -0.362 20 0 DBADRM CC1(C(=O)NCC2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)CC1 ZINC001506095844 1019723780 /nfs/dbraw/zinc/72/37/80/1019723780.db2.gz RHRBLKJAILYYAR-UHFFFAOYSA-N -1 0 307.310 -0.539 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C2=NN(CCO)C(=O)CC2)c1 ZINC001610710629 1019724038 /nfs/dbraw/zinc/72/40/38/1019724038.db2.gz HQYSUAIAHSPWSV-UHFFFAOYSA-N -1 0 306.278 -0.311 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(S(=O)(=O)CC[C@@H]2CCCO2)C1 ZINC001610734151 1019724785 /nfs/dbraw/zinc/72/47/85/1019724785.db2.gz AFLCHROPHUCUEI-MXWKQRLJSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CCC[C@H](N3CCCC3=O)C2)C1 ZINC001610735063 1019724922 /nfs/dbraw/zinc/72/49/22/1019724922.db2.gz MVGDUOUIAGKQEG-RYUDHWBXSA-N -1 0 309.366 -0.036 20 0 DBADRM O=C([O-])CS(=O)(=O)CCSc1nc2cncnc2[nH]1 ZINC001611488709 1019765566 /nfs/dbraw/zinc/76/55/66/1019765566.db2.gz STUQXEKDWDWYRF-UHFFFAOYSA-N -1 0 302.337 -0.056 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H](CO)[C@@H]2CCOC2)CCC1 ZINC001610727310 1019725770 /nfs/dbraw/zinc/72/57/70/1019725770.db2.gz FQFSRDUBUKAXNF-MNOVXSKESA-N -1 0 321.395 -0.194 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1cc2c(cn1)OCCO2 ZINC001610731816 1019726501 /nfs/dbraw/zinc/72/65/01/1019726501.db2.gz BCYNQOAANVJGSD-BXKDBHETSA-N -1 0 308.290 -0.097 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2cc3c(cn2)OCCO3)C1 ZINC001610737072 1019726876 /nfs/dbraw/zinc/72/68/76/1019726876.db2.gz IYCGCEPOALAHMB-RKDXNWHRSA-N -1 0 308.290 -0.240 20 0 DBADRM O=C([O-])[C@H]1COCCN1Cc1nnnn1CC1CCOCC1 ZINC001610746852 1019728211 /nfs/dbraw/zinc/72/82/11/1019728211.db2.gz SAWCYUCPWUVFHO-LLVKDONJSA-N -1 0 311.342 -0.615 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCO[C@]3(CCOC3)C2)CC1 ZINC001610742574 1019729128 /nfs/dbraw/zinc/72/91/28/1019729128.db2.gz IVOMTZMNVJEUFF-OAHLLOKOSA-N -1 0 312.366 -0.199 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2cc(Cn3cccn3)on2)C1 ZINC001610738917 1019729372 /nfs/dbraw/zinc/72/93/72/1019729372.db2.gz RVKBGQICOCDEQA-ZJUUUORDSA-N -1 0 320.305 -0.173 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cn(C2CCC2)nn1 ZINC001610762101 1019731360 /nfs/dbraw/zinc/73/13/60/1019731360.db2.gz TYDDMWXMJNFSFS-SNVBAGLBSA-N -1 0 307.310 -0.582 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)[C@H](O)C2CCOCC2)CCCOC1 ZINC001610755981 1019731724 /nfs/dbraw/zinc/73/17/24/1019731724.db2.gz CXTWNDCQMYSJCL-OCCSQVGLSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC001610769594 1019732686 /nfs/dbraw/zinc/73/26/86/1019732686.db2.gz MLKJHALRFAQKNI-GFCCVEGCSA-N -1 0 320.349 -0.465 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCc2cccnc2)CCO1 ZINC001610763193 1019732925 /nfs/dbraw/zinc/73/29/25/1019732925.db2.gz MXKZPCXUJZCAPL-NSHDSACASA-N -1 0 307.306 -0.600 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCC2CCOCC2)CCO1 ZINC001610763450 1019733400 /nfs/dbraw/zinc/73/34/00/1019733400.db2.gz SSNIRVRSQRCEEW-NSHDSACASA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001610765193 1019733609 /nfs/dbraw/zinc/73/36/09/1019733609.db2.gz KXYCIIMESLRMOQ-YUMQZZPRSA-N -1 0 315.351 -0.607 20 0 DBADRM O=C([O-])CCNC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC001610774287 1019733997 /nfs/dbraw/zinc/73/39/97/1019733997.db2.gz NXBVTRUZJOJOLD-UHFFFAOYSA-N -1 0 311.294 -0.689 20 0 DBADRM O=C([O-])CCCc1nc(CN2CCN3C(=O)N=NC3C2)no1 ZINC001610771975 1019735121 /nfs/dbraw/zinc/73/51/21/1019735121.db2.gz QNDIHCINTGNJNB-UHFFFAOYSA-N -1 0 308.298 -0.210 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC001610783109 1019735698 /nfs/dbraw/zinc/73/56/98/1019735698.db2.gz MSYHXYSLOSQAJE-UWVGGRQHSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CCc1c[nH]cn1 ZINC001610779927 1019736168 /nfs/dbraw/zinc/73/61/68/1019736168.db2.gz LDUWTFKWXKIADF-UHFFFAOYSA-N -1 0 310.354 -0.412 20 0 DBADRM O=C([O-])CSCCNC(=O)NCCC1CS(=O)(=O)C1 ZINC001610790588 1019736265 /nfs/dbraw/zinc/73/62/65/1019736265.db2.gz PRBXKFRYXMJIMI-UHFFFAOYSA-N -1 0 310.397 -0.462 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccnc(OC2CCC2)c1 ZINC001610782192 1019738001 /nfs/dbraw/zinc/73/80/01/1019738001.db2.gz HKCXXBOSRKUWHP-UHFFFAOYSA-N -1 0 307.306 -0.057 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CS(=O)(=O)C1CCCC1 ZINC001610802771 1019738548 /nfs/dbraw/zinc/73/85/48/1019738548.db2.gz ZWBVSONDOSVCCT-SCZZXKLOSA-N -1 0 305.352 -0.610 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCc3c[nH]nc3C2)C1 ZINC001610804263 1019738888 /nfs/dbraw/zinc/73/88/88/1019738888.db2.gz OAABVLWOKOIVBG-JTQLQIEISA-N -1 0 306.322 -0.382 20 0 DBADRM O=C([O-])Cn1cc(CCN2CCO[C@]3(CCCOC3)C2)nn1 ZINC001610799709 1019739911 /nfs/dbraw/zinc/73/99/11/1019739911.db2.gz ALNULEAGLFYXTH-CQSZACIVSA-N -1 0 310.354 -0.213 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCO[C@H](C3CC3)C2)nn1 ZINC001610858797 1019741901 /nfs/dbraw/zinc/74/19/01/1019741901.db2.gz CKNHQKXKYMULOP-NSHDSACASA-N -1 0 309.326 -0.203 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2cnn3c2CCCC3)nn1 ZINC001610859962 1019742123 /nfs/dbraw/zinc/74/21/23/1019742123.db2.gz BEMYCQPMJOFHDS-UHFFFAOYSA-N -1 0 304.310 -0.061 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)on1 ZINC001610808635 1019742486 /nfs/dbraw/zinc/74/24/86/1019742486.db2.gz GCSPMNTWNICWFP-JTQLQIEISA-N -1 0 323.305 -0.164 20 0 DBADRM O=C([O-])c1ccccc1OCCN1CCN(C(=O)CO)CC1 ZINC001610853385 1019743376 /nfs/dbraw/zinc/74/33/76/1019743376.db2.gz QHOKOEMSUITEPD-UHFFFAOYSA-N -1 0 308.334 -0.100 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCO[C@@]3(CCSC3)C2)nn1 ZINC001610859647 1019743473 /nfs/dbraw/zinc/74/34/73/1019743473.db2.gz VRASYKUJHIHLMP-LBPRGKRZSA-N -1 0 312.351 -0.289 20 0 DBADRM O=C([O-])c1cncnc1NCCS(=O)(=O)N1CCOCC1 ZINC001610865571 1019744177 /nfs/dbraw/zinc/74/41/77/1019744177.db2.gz YDRMCKYVAZZVLA-UHFFFAOYSA-N -1 0 316.339 -0.751 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1C[C@@H](O)C2(CC2)C1 ZINC001610872231 1019746989 /nfs/dbraw/zinc/74/69/89/1019746989.db2.gz CGEGWBHGEJRJEH-SSDOTTSWSA-N -1 0 304.349 -0.013 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)NCCN2CCOCC2)c1 ZINC001610865967 1019747194 /nfs/dbraw/zinc/74/71/94/1019747194.db2.gz WUFYVBPWUVOYAZ-UHFFFAOYSA-N -1 0 315.351 -0.610 20 0 DBADRM O=C([O-])C12CCC(C(=O)NCCCN3CCNC(=O)C3)(CC1)C2 ZINC001610885944 1019747588 /nfs/dbraw/zinc/74/75/88/1019747588.db2.gz MDPJWGVOKRVPCY-UHFFFAOYSA-N -1 0 323.393 -0.040 20 0 DBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2cscn2)nn1 ZINC001610860261 1019747890 /nfs/dbraw/zinc/74/78/90/1019747890.db2.gz QOCIRTCGZSHFDP-UHFFFAOYSA-N -1 0 303.325 -0.589 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC001610920727 1019749159 /nfs/dbraw/zinc/74/91/59/1019749159.db2.gz VRJSJRGOFFRPGB-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM CN(CC(=O)[O-])c1ccc(S(N)(=O)=O)cc1S(C)(=O)=O ZINC001610916205 1019749411 /nfs/dbraw/zinc/74/94/11/1019749411.db2.gz PDOQITKYWDHXJZ-UHFFFAOYSA-N -1 0 322.364 -0.742 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001610886927 1019749652 /nfs/dbraw/zinc/74/96/52/1019749652.db2.gz LQPNSNVHQQKRLV-DTWKUNHWSA-N -1 0 321.289 -0.680 20 0 DBADRM CN(C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1)[C@H]1CCNC1=O ZINC001610887870 1019750424 /nfs/dbraw/zinc/75/04/24/1019750424.db2.gz ZFHCLCKXGLLRBV-NSHDSACASA-N -1 0 319.317 -0.652 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC001610920509 1019750533 /nfs/dbraw/zinc/75/05/33/1019750533.db2.gz KXUYGFXBJSKCSN-ZETCQYMHSA-N -1 0 312.244 -0.291 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001610892429 1019750667 /nfs/dbraw/zinc/75/06/67/1019750667.db2.gz PFDBCUCKLCJHPP-UHFFFAOYSA-N -1 0 313.354 -0.660 20 0 DBADRM CN1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1=O ZINC001610956192 1019751981 /nfs/dbraw/zinc/75/19/81/1019751981.db2.gz CRTLFCSJJKHLFN-UHFFFAOYSA-N -1 0 309.253 -0.280 20 0 DBADRM CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)NCCC(=O)[O-] ZINC001610944767 1019752001 /nfs/dbraw/zinc/75/20/01/1019752001.db2.gz HVFCPZQBYMGIMS-UHFFFAOYSA-N -1 0 321.333 -0.648 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC001610956276 1019752729 /nfs/dbraw/zinc/75/27/29/1019752729.db2.gz MNZNDHOTVKFPIN-AWEZNQCLSA-N -1 0 309.322 -0.068 20 0 DBADRM COC(=O)C1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001610968623 1019753001 /nfs/dbraw/zinc/75/30/01/1019753001.db2.gz HFEMESCCCJLXHV-SNVBAGLBSA-N -1 0 312.322 -0.669 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001610956267 1019753014 /nfs/dbraw/zinc/75/30/14/1019753014.db2.gz LMJMHTGGJFSEFI-QMMMGPOBSA-N -1 0 307.306 -0.036 20 0 DBADRM COC(=O)C(C)(C)N1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC001610964725 1019753507 /nfs/dbraw/zinc/75/35/07/1019753507.db2.gz HMRPIGUKNUZSID-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM CN1C(=O)COc2cc(NC(=O)C(=O)NCC(=O)[O-])ccc21 ZINC001610944744 1019753782 /nfs/dbraw/zinc/75/37/82/1019753782.db2.gz DZCLZTDZKZZTOR-UHFFFAOYSA-N -1 0 307.262 -0.819 20 0 DBADRM CS(=O)(=O)Cc1noc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC001611078320 1019754657 /nfs/dbraw/zinc/75/46/57/1019754657.db2.gz BYLVSIZZCZPZCA-ZCFIWIBFSA-N -1 0 318.311 -0.447 20 0 DBADRM COc1c(NC(=O)C(=O)N[C@H](C)CC(=O)[O-])cccc1C(N)=O ZINC001611024024 1019754847 /nfs/dbraw/zinc/75/48/47/1019754847.db2.gz OAFKRKZOCCFDJP-SSDOTTSWSA-N -1 0 323.305 -0.288 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)CSCC(=O)[O-] ZINC001611078339 1019754890 /nfs/dbraw/zinc/75/48/90/1019754890.db2.gz FLUJBZIOVMXCPZ-SECBINFHSA-N -1 0 324.424 -0.266 20 0 DBADRM CO[C@@H]1CC[C@@H]2OCCN(CCS(=O)(=O)CC(=O)[O-])[C@H]2C1 ZINC001610991529 1019755657 /nfs/dbraw/zinc/75/56/57/1019755657.db2.gz TUORHJKKPXHQIM-WOPDTQHZSA-N -1 0 321.395 -0.246 20 0 DBADRM COc1cccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c1F ZINC001611066619 1019756051 /nfs/dbraw/zinc/75/60/51/1019756051.db2.gz CVCJTEUGPOEDDV-ZDUSSCGKSA-N -1 0 314.269 -0.275 20 0 DBADRM CO[C@H](C)c1noc(C[S@@](=O)CC(=O)NCC(=O)[O-])n1 ZINC001610990541 1019756592 /nfs/dbraw/zinc/75/65/92/1019756592.db2.gz AAOJYODKDVWKEY-ZFFJSCCISA-N -1 0 305.312 -0.774 20 0 DBADRM COCCCn1ccc(NC(=O)NC[C@](C)(O)C(=O)[O-])n1 ZINC001611000513 1019756616 /nfs/dbraw/zinc/75/66/16/1019756616.db2.gz TULZQGKDPXUBQE-LBPRGKRZSA-N -1 0 300.315 -0.123 20 0 DBADRM COc1cc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])nn1C ZINC001611024119 1019756801 /nfs/dbraw/zinc/75/68/01/1019756801.db2.gz WYRJORIPWPKJMH-MRVPVSSYSA-N -1 0 312.326 -0.520 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ccccc2)n1)C(=O)[O-] ZINC001611093265 1019756980 /nfs/dbraw/zinc/75/69/80/1019756980.db2.gz UQOCKLFBUQBCAW-MRVPVSSYSA-N -1 0 303.278 -0.205 20 0 DBADRM Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)NCCC(=O)[O-])C2 ZINC001611244340 1019757563 /nfs/dbraw/zinc/75/75/63/1019757563.db2.gz QBQMMYLJZAQGRO-JTQLQIEISA-N -1 0 306.322 -0.651 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)nn2)no1 ZINC001611238235 1019758041 /nfs/dbraw/zinc/75/80/41/1019758041.db2.gz QVGGMCHOIBKEAA-SNVBAGLBSA-N -1 0 308.298 -0.143 20 0 DBADRM Cc1cc2c(cc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])OCO2 ZINC001611162620 1019759660 /nfs/dbraw/zinc/75/96/60/1019759660.db2.gz WCZFBXGSVYCRDK-CQSZACIVSA-N -1 0 324.289 -0.386 20 0 DBADRM NC(=O)c1ncn(C2CCN(C(=O)CCC(=O)[O-])CC2)c1N ZINC001611313805 1019760358 /nfs/dbraw/zinc/76/03/58/1019760358.db2.gz UCAVLVMJNUOHAU-UHFFFAOYSA-N -1 0 309.326 -0.408 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)C(=O)NC[C@@H]2COCCO2)c1 ZINC001611338600 1019761221 /nfs/dbraw/zinc/76/12/21/1019761221.db2.gz ZXGVFFXSRYAAFU-GFCCVEGCSA-N -1 0 322.317 -0.467 20 0 DBADRM O=C([O-])C(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC001611334061 1019761668 /nfs/dbraw/zinc/76/16/68/1019761668.db2.gz DGGQZOBETPSGRV-VHSXEESVSA-N -1 0 300.311 -0.033 20 0 DBADRM Cn1nccc1[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001611286273 1019761823 /nfs/dbraw/zinc/76/18/23/1019761823.db2.gz SHYMLQXPKKXKIK-UWJYBYFXSA-N -1 0 322.321 -0.014 20 0 DBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cn1 ZINC001611309371 1019762440 /nfs/dbraw/zinc/76/24/40/1019762440.db2.gz CLWWSMNTBPSIAB-SECBINFHSA-N -1 0 306.278 -0.805 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc[nH]2)CCO1 ZINC001611387307 1019763223 /nfs/dbraw/zinc/76/32/23/1019763223.db2.gz YUAKBGSYWBNHMO-NEPJUHHUSA-N -1 0 321.333 -0.010 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ncccc1F ZINC001611401758 1019763315 /nfs/dbraw/zinc/76/33/15/1019763315.db2.gz PMHZWBKDFQKPQJ-SNVBAGLBSA-N -1 0 316.310 -0.527 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CN2CCc3ccccc3C2=O)CCO1 ZINC001611391772 1019763417 /nfs/dbraw/zinc/76/34/17/1019763417.db2.gz NDCMHMBLDGOAGQ-CYBMUJFWSA-N -1 0 318.329 -0.003 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc[nH]2)CCO1 ZINC001611387309 1019763645 /nfs/dbraw/zinc/76/36/45/1019763645.db2.gz YUAKBGSYWBNHMO-NWDGAFQWSA-N -1 0 321.333 -0.010 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCN(Cc3cccnc3)CC2)C1 ZINC001611362025 1019763663 /nfs/dbraw/zinc/76/36/63/1019763663.db2.gz MDZKBWUHOAXEMG-ZDUSSCGKSA-N -1 0 318.333 -0.045 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1C[C@@]12CCOC2 ZINC001611401869 1019764514 /nfs/dbraw/zinc/76/45/14/1019764514.db2.gz RXOSTTQNMUDOMF-VDDIYKPWSA-N -1 0 303.336 -0.877 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC(=O)N(CCC(F)(F)F)C2)C1 ZINC001611361797 1019764926 /nfs/dbraw/zinc/76/49/26/1019764926.db2.gz HPQPTEXSIXDGCL-ZETCQYMHSA-N -1 0 323.227 -0.203 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NC[C@H]2CCCS(=O)(=O)C2)C1 ZINC001611362407 1019765176 /nfs/dbraw/zinc/76/51/76/1019765176.db2.gz VDZGUQSEKQXLNT-APPZFPTMSA-N -1 0 304.324 -0.843 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCCC[C@@H]1C1OCCO1 ZINC001611488435 1019765728 /nfs/dbraw/zinc/76/57/28/1019765728.db2.gz KUMLTOMGVFXDDD-SNVBAGLBSA-N -1 0 307.368 -0.287 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC001611488726 1019766788 /nfs/dbraw/zinc/76/67/88/1019766788.db2.gz UOQGKALGGLNFBL-WDEREUQCSA-N -1 0 319.379 -0.444 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCOC[C@H]1[C@H]1CCCC1=O ZINC001611488724 1019767019 /nfs/dbraw/zinc/76/70/19/1019767019.db2.gz UOQGKALGGLNFBL-MNOVXSKESA-N -1 0 319.379 -0.444 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCCC[C@H]1C1OCCO1 ZINC001611488433 1019767376 /nfs/dbraw/zinc/76/73/76/1019767376.db2.gz KUMLTOMGVFXDDD-JTQLQIEISA-N -1 0 307.368 -0.287 20 0 DBADRM O=C([O-])Cc1noc([C@@H]2CC(=O)N(CCN3CCOCC3)C2)n1 ZINC001611519394 1019767750 /nfs/dbraw/zinc/76/77/50/1019767750.db2.gz MEEKEAMAHSCHPN-SNVBAGLBSA-N -1 0 324.337 -0.655 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)NCc2nnn[n-]2)c(F)c1 ZINC001614991325 1019774523 /nfs/dbraw/zinc/77/45/23/1019774523.db2.gz FTZSOBYDFHPONY-UHFFFAOYSA-N -1 0 303.261 -0.447 20 0 DBADRM CC[C@@H](F)C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001506172305 1019776309 /nfs/dbraw/zinc/77/63/09/1019776309.db2.gz ZCLIGGAPVWESRG-SSDOTTSWSA-N -1 0 315.305 -0.798 20 0 DBADRM Cn1cnc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)cc1=O ZINC001616333037 1019776496 /nfs/dbraw/zinc/77/64/96/1019776496.db2.gz KZJXMFXAPIPVQW-UHFFFAOYSA-N -1 0 313.277 -0.286 20 0 DBADRM O=C(c1ccc2n[nH]nc2n1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001616142429 1019776665 /nfs/dbraw/zinc/77/66/65/1019776665.db2.gz NMVSFOOUCNFEIJ-QMMMGPOBSA-N -1 0 301.270 -0.920 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001616679361 1019782019 /nfs/dbraw/zinc/78/20/19/1019782019.db2.gz XFLYDCVZALASTP-GHMZBOCLSA-N -1 0 315.370 -0.523 20 0 DBADRM C[C@@H](C(=O)N1C[C@H](C)C[C@H](CO)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001575976173 1019783091 /nfs/dbraw/zinc/78/30/91/1019783091.db2.gz IHJQSPYKIILKKA-UTLUCORTSA-N -1 0 320.357 -0.504 20 0 DBADRM CCC(C)(C)C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001576014945 1019791452 /nfs/dbraw/zinc/79/14/52/1019791452.db2.gz MIBCLWCAKUWAIG-UHFFFAOYSA-N -1 0 311.342 -0.045 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)[N-]N2C(=O)N[C@](C)(CC)C2=O)nn1 ZINC001618561412 1019796291 /nfs/dbraw/zinc/79/62/91/1019796291.db2.gz ZFXQFSSOWCIFIJ-ISVAXAHUSA-N -1 0 324.341 -0.586 20 0 DBADRM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C(=O)O1 ZINC001576031574 1019797101 /nfs/dbraw/zinc/79/71/01/1019797101.db2.gz WDMYNNAVENKGOS-RITPCOANSA-N -1 0 313.295 -0.558 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N(C)CCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001576075507 1019804900 /nfs/dbraw/zinc/80/49/00/1019804900.db2.gz GMEKJWYCDZJWKQ-ZJUUUORDSA-N -1 0 316.369 -0.005 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001576085705 1019808128 /nfs/dbraw/zinc/80/81/28/1019808128.db2.gz OPRIMBQWPMPMKU-DTWKUNHWSA-N -1 0 314.353 -0.205 20 0 DBADRM C[C@@H]1C[C@H]1CNC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576097682 1019809761 /nfs/dbraw/zinc/80/97/61/1019809761.db2.gz QJZBPSMEOVJWNL-SFYZADRCSA-N -1 0 319.325 -0.709 20 0 DBADRM C[C@@H]1CC[C@@H](CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)O1 ZINC001576113024 1019812399 /nfs/dbraw/zinc/81/23/99/1019812399.db2.gz BTPWYKRBWDPWAH-BDAKNGLRSA-N -1 0 321.345 -0.675 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001576124963 1019812431 /nfs/dbraw/zinc/81/24/31/1019812431.db2.gz CNZUHHFITHEUFA-SFYZADRCSA-N -1 0 319.325 -0.566 20 0 DBADRM C[C@H]1CC[C@@H]1NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576143561 1019816333 /nfs/dbraw/zinc/81/63/33/1019816333.db2.gz VRYZNLAXTZHNMD-XPUUQOCRSA-N -1 0 305.298 -0.956 20 0 DBADRM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576290461 1019834593 /nfs/dbraw/zinc/83/45/93/1019834593.db2.gz JPZBVALAXKWZMD-VHSXEESVSA-N -1 0 319.369 -0.278 20 0 DBADRM C[C@H]1CN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCC1=O ZINC001576280097 1019834620 /nfs/dbraw/zinc/83/46/20/1019834620.db2.gz LQKKNOAOPZJNPX-QMMMGPOBSA-N -1 0 319.329 -0.921 20 0 DBADRM CC(=O)NC[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCCC1 ZINC001506368000 1019835739 /nfs/dbraw/zinc/83/57/39/1019835739.db2.gz KGERYCIHGWVEBO-VIFPVBQESA-N -1 0 309.326 -0.293 20 0 DBADRM CC(C)=CC(=O)N(C)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001576331925 1019837509 /nfs/dbraw/zinc/83/75/09/1019837509.db2.gz MKIHYLQOAVVAMU-JTQLQIEISA-N -1 0 323.353 -0.285 20 0 DBADRM CCC(=O)N(C)CCOCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001576409625 1019847125 /nfs/dbraw/zinc/84/71/25/1019847125.db2.gz FYRALJDBCPOYKH-UHFFFAOYSA-N -1 0 320.357 -0.625 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@](C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001506469840 1019851863 /nfs/dbraw/zinc/85/18/63/1019851863.db2.gz MEMWKVQRGLOIKM-FZNYLWTLSA-N -1 0 323.353 -0.548 20 0 DBADRM CCC(=O)NC[C@H]1CN(c2ccnc(-c3nnn[n-]3)n2)CCO1 ZINC001576486372 1019856135 /nfs/dbraw/zinc/85/61/35/1019856135.db2.gz HMDNKVOSHGWJCS-VIFPVBQESA-N -1 0 318.341 -0.612 20 0 DBADRM C[C@@H](NC(=O)Cc1cnn(C)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001506594505 1019868542 /nfs/dbraw/zinc/86/85/42/1019868542.db2.gz QRTZOLRLSIVDOH-SECBINFHSA-N -1 0 319.369 -0.577 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001576582608 1019869794 /nfs/dbraw/zinc/86/97/94/1019869794.db2.gz TVXJOYAUWGJSNE-BDAKNGLRSA-N -1 0 320.357 -0.986 20 0 DBADRM CC[C@H](C)C(=O)NC[C@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001576581655 1019870489 /nfs/dbraw/zinc/87/04/89/1019870489.db2.gz OHEPTGCLQWXXEG-DTWKUNHWSA-N -1 0 320.357 -0.986 20 0 DBADRM CC[C@H](C)C(=O)NC[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001576582609 1019870747 /nfs/dbraw/zinc/87/07/47/1019870747.db2.gz TVXJOYAUWGJSNE-DTWKUNHWSA-N -1 0 320.357 -0.986 20 0 DBADRM CC[C@H](C)C(=O)NC[C@@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001576581656 1019870988 /nfs/dbraw/zinc/87/09/88/1019870988.db2.gz OHEPTGCLQWXXEG-IUCAKERBSA-N -1 0 320.357 -0.986 20 0 DBADRM CC[C@@H](C)C[C@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001576642200 1019876522 /nfs/dbraw/zinc/87/65/22/1019876522.db2.gz UFUCCZGDMCGGNS-HTQZYQBOSA-N -1 0 323.357 -0.125 20 0 DBADRM C[C@H](NC(=O)Cc1ccn(C)n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001506621884 1019876497 /nfs/dbraw/zinc/87/64/97/1019876497.db2.gz MBVPOAOHPVGHEM-VIFPVBQESA-N -1 0 319.369 -0.577 20 0 DBADRM CCC(CC)(CO)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001576718621 1019881367 /nfs/dbraw/zinc/88/13/67/1019881367.db2.gz PYMJZSAODANSOH-UHFFFAOYSA-N -1 0 323.357 -0.123 20 0 DBADRM CCC(CC)[C@H](O)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001576745677 1019884474 /nfs/dbraw/zinc/88/44/74/1019884474.db2.gz JHLHHEDVLGVNAN-MRVPVSSYSA-N -1 0 323.357 -0.125 20 0 DBADRM CC[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C(=O)OC ZINC001576924727 1019951772 /nfs/dbraw/zinc/95/17/72/1019951772.db2.gz IHOGXTIHTNREJU-LURJTMIESA-N -1 0 323.313 -0.723 20 0 DBADRM CC[C@H](F)C(=O)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576938450 1019956596 /nfs/dbraw/zinc/95/65/96/1019956596.db2.gz ZRYKUXMTUCZYKB-IUCAKERBSA-N -1 0 320.332 -0.161 20 0 DBADRM CC[C@H](F)C(=O)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576938448 1019958250 /nfs/dbraw/zinc/95/82/50/1019958250.db2.gz ZRYKUXMTUCZYKB-BDAKNGLRSA-N -1 0 320.332 -0.161 20 0 DBADRM CC[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1noc(C)n1 ZINC001576977084 1019972697 /nfs/dbraw/zinc/97/26/97/1019972697.db2.gz YMPOAKXMUTVEBY-SSDOTTSWSA-N -1 0 318.301 -0.583 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)NC ZINC001576995151 1019976726 /nfs/dbraw/zinc/97/67/26/1019976726.db2.gz VZXYEYMRGGLEOT-ZCFIWIBFSA-N -1 0 314.327 -0.737 20 0 DBADRM CC[C@@H](OC)C(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001577002754 1019979145 /nfs/dbraw/zinc/97/91/45/1019979145.db2.gz JMDFXEIQSYMIIV-SECBINFHSA-N -1 0 320.357 -0.626 20 0 DBADRM CC[C@@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@@H]1C ZINC001577159728 1020015741 /nfs/dbraw/zinc/01/57/41/1020015741.db2.gz ARTBSKMRUHSOGH-RKDXNWHRSA-N -1 0 319.369 -0.111 20 0 DBADRM CCCC(=O)N(CCO)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001577188203 1020024011 /nfs/dbraw/zinc/02/40/11/1020024011.db2.gz RGFWLRBRLSXGCZ-UHFFFAOYSA-N -1 0 320.357 -0.889 20 0 DBADRM CCCC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001577184895 1020025332 /nfs/dbraw/zinc/02/53/32/1020025332.db2.gz OXTLGNPBJLGYBO-SECBINFHSA-N -1 0 320.357 -0.890 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2[C@H]3CN(Cc4cn[nH]n4)C[C@H]32)c1[O-] ZINC001577519611 1020072858 /nfs/dbraw/zinc/07/28/58/1020072858.db2.gz ZWQQHUNRPWKZMK-RTCCRHLQSA-N -1 0 317.353 -0.350 20 0 DBADRM CCCOC(=O)CCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001577686744 1020105814 /nfs/dbraw/zinc/10/58/14/1020105814.db2.gz GEYBAKXBLHBIHV-UHFFFAOYSA-N -1 0 323.313 -0.579 20 0 DBADRM C[C@@H](C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)n1cccc1 ZINC001507189030 1020152484 /nfs/dbraw/zinc/15/24/84/1020152484.db2.gz NNGZLAPVOSNCEC-VHSXEESVSA-N -1 0 308.342 -0.860 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C1=CCCCCC1 ZINC001507196414 1020169793 /nfs/dbraw/zinc/16/97/93/1020169793.db2.gz WFXLQCWWABEJRH-LLVKDONJSA-N -1 0 309.370 -0.033 20 0 DBADRM CCN1C[C@@H](C(=O)NCc2cncc(-c3nn[nH]n3)c2)CC1=O ZINC001578212370 1020205228 /nfs/dbraw/zinc/20/52/28/1020205228.db2.gz HJFRLIJMNRGALA-NSHDSACASA-N -1 0 315.337 -0.254 20 0 DBADRM CCN1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nn[nH]n3)c1)CO2 ZINC001578215228 1020205257 /nfs/dbraw/zinc/20/52/57/1020205257.db2.gz KRWMMNGTMSCINR-SNVBAGLBSA-N -1 0 317.353 -0.212 20 0 DBADRM CCNc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cn1 ZINC001578241204 1020206381 /nfs/dbraw/zinc/20/63/81/1020206381.db2.gz MZRQJQFWLIFZED-UHFFFAOYSA-N -1 0 314.313 -0.076 20 0 DBADRM CCOC(=O)CCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001578245281 1020207796 /nfs/dbraw/zinc/20/77/96/1020207796.db2.gz KRWCARDKACJHDF-UHFFFAOYSA-N -1 0 309.286 -0.969 20 0 DBADRM CCOC(=O)CCNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001578245538 1020207943 /nfs/dbraw/zinc/20/79/43/1020207943.db2.gz VQJXIXORRMYTSG-UHFFFAOYSA-N -1 0 320.309 -0.041 20 0 DBADRM CCO[C@@H](C)C(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001578296068 1020210486 /nfs/dbraw/zinc/21/04/86/1020210486.db2.gz HWQYBDLTDGHYAJ-IUCAKERBSA-N -1 0 320.357 -0.580 20 0 DBADRM CCO[C@@H](C)C(=O)NC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001578289206 1020211514 /nfs/dbraw/zinc/21/15/14/1020211514.db2.gz SVYBMJFDFRDWEO-BDAKNGLRSA-N -1 0 320.357 -0.580 20 0 DBADRM CCOCC(=O)N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001578352276 1020216399 /nfs/dbraw/zinc/21/63/99/1020216399.db2.gz AFAQLYXZJBTQID-UHFFFAOYSA-N -1 0 318.341 -0.658 20 0 DBADRM CCOCC(=O)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001578346539 1020217126 /nfs/dbraw/zinc/21/71/26/1020217126.db2.gz AUAOUPFMQNNFIC-VIFPVBQESA-N -1 0 318.341 -0.872 20 0 DBADRM CCOCC(=O)NCC1(Nc2cncc(-c3nn[nH]n3)n2)CC1 ZINC001578360533 1020221341 /nfs/dbraw/zinc/22/13/41/1020221341.db2.gz HOPQAVWBYQWBOA-UHFFFAOYSA-N -1 0 318.341 -0.246 20 0 DBADRM CCOCC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001578362804 1020222021 /nfs/dbraw/zinc/22/20/21/1020222021.db2.gz XFQGPFFZBYUQHB-UHFFFAOYSA-N -1 0 321.341 -0.581 20 0 DBADRM CCOCC(=O)NCC1(Nc2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001578360431 1020222957 /nfs/dbraw/zinc/22/29/57/1020222957.db2.gz DTUZKDVGYPIYBM-UHFFFAOYSA-N -1 0 318.341 -0.246 20 0 DBADRM CCc1nn(CCn2cnnn2)c(=O)c(-c2nnn[n-]2)c1CC ZINC001578699968 1020285835 /nfs/dbraw/zinc/28/58/35/1020285835.db2.gz DVYIIEPGAUSSRC-UHFFFAOYSA-N -1 0 316.329 -0.765 20 0 DBADRM CCn1cc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)cn1 ZINC001578757792 1020290743 /nfs/dbraw/zinc/29/07/43/1020290743.db2.gz GFIKJIPTHUPOEN-UHFFFAOYSA-N -1 0 317.313 -0.506 20 0 DBADRM CCn1ncn([N-]C(=O)c2cc(-c3nn[nH]n3)ccc2F)c1=O ZINC001578828844 1020312214 /nfs/dbraw/zinc/31/22/14/1020312214.db2.gz WEPBXLCKOKQIOH-UHFFFAOYSA-N -1 0 318.272 -0.232 20 0 DBADRM CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1cc(-c2nn[nH]n2)ccn1 ZINC001578893373 1020326196 /nfs/dbraw/zinc/32/61/96/1020326196.db2.gz HYDHVLDDTLYACR-DTWKUNHWSA-N -1 0 317.309 -0.743 20 0 DBADRM CN(C(=O)c1ccc(-c2nn[nH]n2)n1C)[C@@H]1CCS(=O)(=O)C1 ZINC001578922364 1020329839 /nfs/dbraw/zinc/32/98/39/1020329839.db2.gz GRGOPZHKAZIHRA-MRVPVSSYSA-N -1 0 324.366 -0.536 20 0 DBADRM CN(C(=O)c1ccc(-c2nn[nH]n2)n1C)[C@@H]1CCCCNC1=O ZINC001578922464 1020330335 /nfs/dbraw/zinc/33/03/35/1020330335.db2.gz KOIZRVJFTJJQNA-SNVBAGLBSA-N -1 0 317.353 -0.054 20 0 DBADRM CN(C[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1)C(=O)C1CC1 ZINC001579046902 1020358176 /nfs/dbraw/zinc/35/81/76/1020358176.db2.gz HNLPFTNNEHKCDM-SECBINFHSA-N -1 0 318.341 -0.702 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCCO1)c1ccnc(-c2nnn[n-]2)n1 ZINC001579169493 1020388087 /nfs/dbraw/zinc/38/80/87/1020388087.db2.gz PJWACOWWJQAYDL-VIFPVBQESA-N -1 0 318.341 -0.612 20 0 DBADRM CN(CCNc1ccc(-c2nn[nH]n2)cn1)C(=O)c1cnon1 ZINC001579208789 1020389988 /nfs/dbraw/zinc/38/99/88/1020389988.db2.gz VATWZIZMAKVWCS-UHFFFAOYSA-N -1 0 315.297 -0.171 20 0 DBADRM CN(CCn1cnnc1)C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001579232717 1020398665 /nfs/dbraw/zinc/39/86/65/1020398665.db2.gz NTUIIMCEHAYQEP-UHFFFAOYSA-N -1 0 314.309 -0.064 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579266788 1020401403 /nfs/dbraw/zinc/40/14/03/1020401403.db2.gz XSDPAFUTBZRWIU-UHFFFAOYSA-N -1 0 315.293 -0.256 20 0 DBADRM CN(Cc1ccco1)C(=O)Cn1cnc(-c2nnn[n-]2)cc1=O ZINC001579262276 1020402491 /nfs/dbraw/zinc/40/24/91/1020402491.db2.gz FHFFBFYREIFXKJ-UHFFFAOYSA-N -1 0 315.293 -0.325 20 0 DBADRM CN1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001579322562 1020407297 /nfs/dbraw/zinc/40/72/97/1020407297.db2.gz BLNLQEXNMYPCDM-DTORHVGOSA-N -1 0 324.366 -0.073 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2nncs2)c1 ZINC001579477723 1020473476 /nfs/dbraw/zinc/47/34/76/1020473476.db2.gz VWINXUOOFGXGCR-UHFFFAOYSA-N -1 0 319.306 -0.285 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001579474416 1020474702 /nfs/dbraw/zinc/47/47/02/1020474702.db2.gz AZGDJMPGWRWQGU-BIIVOSGPSA-N -1 0 320.313 -0.913 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)[C@@H]1CC12CCC2 ZINC001507704696 1020475628 /nfs/dbraw/zinc/47/56/28/1020475628.db2.gz CFZJWONSQUUMNS-MNOVXSKESA-N -1 0 323.397 -0.048 20 0 DBADRM CO[C@@H](C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001579532985 1020479164 /nfs/dbraw/zinc/47/91/64/1020479164.db2.gz DFXRKGHQOHWKBA-IUCAKERBSA-N -1 0 320.357 -0.050 20 0 DBADRM CO[C@@H](C(=O)NCc1cncc(-c2nn[nH]n2)c1)[C@@H]1CCOC1 ZINC001579526006 1020479428 /nfs/dbraw/zinc/47/94/28/1020479428.db2.gz HVOMQWAKVGSURN-ZYHUDNBSSA-N -1 0 318.337 -0.071 20 0 DBADRM CO[C@@H](C(=O)Nc1n[nH]cc1-c1nn[nH]n1)C(=O)OC(C)(C)C ZINC001579531288 1020480051 /nfs/dbraw/zinc/48/00/51/1020480051.db2.gz VUQQYWJRSMKIEQ-ZETCQYMHSA-N -1 0 323.313 -0.115 20 0 DBADRM CO[C@H](C)C(=O)N(C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579532965 1020481086 /nfs/dbraw/zinc/48/10/86/1020481086.db2.gz OAOZMRNRRSZLDE-MRVPVSSYSA-N -1 0 321.341 -0.582 20 0 DBADRM CO[C@H](C)C(=O)N(C)CCNc1nccnc1-c1nn[nH]n1 ZINC001579533309 1020481509 /nfs/dbraw/zinc/48/15/09/1020481509.db2.gz QXCXSPTXPCUSAS-MRVPVSSYSA-N -1 0 306.330 -0.438 20 0 DBADRM CO[C@H](C(=O)NCCNc1cnc(-c2nn[nH]n2)cn1)C1CC1 ZINC001579525729 1020482908 /nfs/dbraw/zinc/48/29/08/1020482908.db2.gz UIVARSMXPIVGAR-NSHDSACASA-N -1 0 318.341 -0.390 20 0 DBADRM CO[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001579533427 1020483016 /nfs/dbraw/zinc/48/30/16/1020483016.db2.gz IYLZFTFVJKLJRE-BDAKNGLRSA-N -1 0 320.357 -0.050 20 0 DBADRM CO[C@H](C)C(=O)N[C@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001579543880 1020484172 /nfs/dbraw/zinc/48/41/72/1020484172.db2.gz CLFGWTROGZDDRM-ZJUUUORDSA-N -1 0 317.353 -0.009 20 0 DBADRM CO[C@H](C)C(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001579543562 1020484660 /nfs/dbraw/zinc/48/46/60/1020484660.db2.gz BCSYRLHXXJQUNO-RKDXNWHRSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@H](C)C(=O)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579536725 1020487684 /nfs/dbraw/zinc/48/76/84/1020487684.db2.gz SPIGNYMGUQSZJP-BDAKNGLRSA-N -1 0 318.341 -0.874 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[nH]n1 ZINC001579539052 1020487723 /nfs/dbraw/zinc/48/77/23/1020487723.db2.gz FMBWGXTTXMVUPX-IUCAKERBSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H](C)CN(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001579539345 1020488598 /nfs/dbraw/zinc/48/85/98/1020488598.db2.gz IDWVVBAFIHWAMI-BDAKNGLRSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@H](C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579536728 1020489086 /nfs/dbraw/zinc/48/90/86/1020489086.db2.gz SPIGNYMGUQSZJP-RKDXNWHRSA-N -1 0 318.341 -0.874 20 0 DBADRM CO[C@@H](C)CC(=O)NCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579566247 1020495797 /nfs/dbraw/zinc/49/57/97/1020495797.db2.gz IAKRIGPDZSLGBH-QMMMGPOBSA-N -1 0 321.341 -0.534 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001579561450 1020497734 /nfs/dbraw/zinc/49/77/34/1020497734.db2.gz ICWKRLRUFCAIOQ-BDAKNGLRSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@H](C)C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579552844 1020499860 /nfs/dbraw/zinc/49/98/60/1020499860.db2.gz UBLQQTVAPLXDBS-IWSPIJDZSA-N -1 0 318.341 -0.827 20 0 DBADRM COCC(=O)N(C)[C@@H](C)CNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001579617731 1020502682 /nfs/dbraw/zinc/50/26/82/1020502682.db2.gz GENQOYZLWZAPDA-VIFPVBQESA-N -1 0 320.357 -0.130 20 0 DBADRM COCC(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001579623376 1020507148 /nfs/dbraw/zinc/50/71/48/1020507148.db2.gz LHIFHOMWIMYQHU-QMMMGPOBSA-N -1 0 306.330 -0.438 20 0 DBADRM COCC(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001579623375 1020508005 /nfs/dbraw/zinc/50/80/05/1020508005.db2.gz LHIFHOMWIMYQHU-MRVPVSSYSA-N -1 0 306.330 -0.438 20 0 DBADRM COCC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001579623777 1020508048 /nfs/dbraw/zinc/50/80/48/1020508048.db2.gz LGBALPKXWXXDGT-PSASIEDQSA-N -1 0 318.341 -0.438 20 0 DBADRM COCC(=O)N1CC[C@H](N(C)c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579629255 1020512537 /nfs/dbraw/zinc/51/25/37/1020512537.db2.gz ZPGNCCGVRNEKPN-VIFPVBQESA-N -1 0 318.341 -0.660 20 0 DBADRM COC[C@@H](CCO)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579697823 1020536330 /nfs/dbraw/zinc/53/63/30/1020536330.db2.gz RSGRMRFFAOVLGA-MRVPVSSYSA-N -1 0 322.325 -0.597 20 0 DBADRM COCCC(=O)NC[C@H](C)N(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001579763525 1020550660 /nfs/dbraw/zinc/55/06/60/1020550660.db2.gz AMMDVEYEAGEVMQ-VIFPVBQESA-N -1 0 320.357 -0.366 20 0 DBADRM COCCC(=O)N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001579758991 1020551038 /nfs/dbraw/zinc/55/10/38/1020551038.db2.gz OGCORCQATUTWLG-UHFFFAOYSA-N -1 0 318.341 -0.658 20 0 DBADRM CON1CCC(Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC1 ZINC001579848718 1020569725 /nfs/dbraw/zinc/56/97/25/1020569725.db2.gz NIMCVIAYCANDMK-UHFFFAOYSA-N -1 0 322.329 -0.896 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@H]2CCN(C)C2=O)c1[O-] ZINC001579884393 1020583254 /nfs/dbraw/zinc/58/32/54/1020583254.db2.gz BOMLCNCHBSOBNK-VXNVDRBHSA-N -1 0 323.353 -0.863 20 0 DBADRM C[C@@H](NC(=O)C(C)(F)F)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001508454201 1020593780 /nfs/dbraw/zinc/59/37/80/1020593780.db2.gz OMSAOQCXHPYZGJ-NTSWFWBYSA-N -1 0 321.284 -0.646 20 0 DBADRM COc1cc(CNC(=O)[C@H]2COC(=O)N2)ccc1-c1nn[nH]n1 ZINC001579926211 1020596750 /nfs/dbraw/zinc/59/67/50/1020596750.db2.gz PNNAZALETMIKNS-SECBINFHSA-N -1 0 318.293 -0.400 20 0 DBADRM COc1ccc(CNC(=O)[C@@H](O)C(C)(C)O)cc1-c1nn[nH]n1 ZINC001580010071 1020627485 /nfs/dbraw/zinc/62/74/85/1020627485.db2.gz DRDZQQSDZFVQLM-LLVKDONJSA-N -1 0 321.337 -0.377 20 0 DBADRM CS[C@@H](C)C(=O)NC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001580187917 1020664825 /nfs/dbraw/zinc/66/48/25/1020664825.db2.gz NNALNZOTKQRXEK-SFYZADRCSA-N -1 0 322.398 -0.253 20 0 DBADRM CS[C@@H](C)C(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001580176411 1020665081 /nfs/dbraw/zinc/66/50/81/1020665081.db2.gz SJQDOZYNNGZZFE-QMMMGPOBSA-N -1 0 322.398 -0.300 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1ccn[nH]1 ZINC001580416351 1020709487 /nfs/dbraw/zinc/70/94/87/1020709487.db2.gz AFAYLQVOOLMVTD-SSDOTTSWSA-N -1 0 314.313 -0.968 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1ccoc1 ZINC001580417185 1020711687 /nfs/dbraw/zinc/71/16/87/1020711687.db2.gz WDZLDJXMLQKBPM-MRVPVSSYSA-N -1 0 314.309 -0.098 20 0 DBADRM CC[C@H](C)C(=O)N(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001508979649 1020714407 /nfs/dbraw/zinc/71/44/07/1020714407.db2.gz IORJJUCCWNLGBQ-YUMQZZPRSA-N -1 0 311.342 -0.094 20 0 DBADRM Cc1c(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)cnn1C ZINC001580551089 1020750761 /nfs/dbraw/zinc/75/07/61/1020750761.db2.gz SPOMSHVHSKHXCQ-UHFFFAOYSA-N -1 0 317.313 -0.680 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@]1(C(F)(F)F)CCCN1 ZINC001580577937 1020755873 /nfs/dbraw/zinc/75/58/73/1020755873.db2.gz LTLFAICISPYMLL-SECBINFHSA-N -1 0 309.248 -0.510 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CCC[C@H]1C(N)=O ZINC001580598233 1020759413 /nfs/dbraw/zinc/75/94/13/1020759413.db2.gz SZPJZDXULKUGGG-QMMMGPOBSA-N -1 0 317.309 -0.634 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CCN(C)C(=O)C1 ZINC001580598038 1020760105 /nfs/dbraw/zinc/76/01/05/1020760105.db2.gz PUQQEXUTNSZGLT-UHFFFAOYSA-N -1 0 317.309 -0.810 20 0 DBADRM CCCC(=O)N[C@H](C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001509370080 1020778597 /nfs/dbraw/zinc/77/85/97/1020778597.db2.gz DKMKSIDNQGUIDB-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM CCCC(=O)N[C@@H](C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001509370083 1020779035 /nfs/dbraw/zinc/77/90/35/1020779035.db2.gz DKMKSIDNQGUIDB-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NCCNC(=O)c2cocn2)n1 ZINC001580746213 1020796495 /nfs/dbraw/zinc/79/64/95/1020796495.db2.gz FKBWTZFWWUGBNY-UHFFFAOYSA-N -1 0 315.297 -0.205 20 0 DBADRM Cc1cc(F)c(-c2nn[nH]n2)cc1NC(=O)[C@@H](CO)NC(N)=O ZINC001580933074 1020814527 /nfs/dbraw/zinc/81/45/27/1020814527.db2.gz OUXUFYBCOJRQOP-SECBINFHSA-N -1 0 323.288 -0.718 20 0 DBADRM Cc1cc(F)c(-c2nn[nH]n2)cc1NC(=O)NC[C@@H](O)CO ZINC001580931471 1020814541 /nfs/dbraw/zinc/81/45/41/1020814541.db2.gz GJXHWMSBAMJPDY-SSDOTTSWSA-N -1 0 310.289 -0.211 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)c(NCc2cn(C)c(=O)[nH]c2=O)n1 ZINC001581128682 1020824003 /nfs/dbraw/zinc/82/40/03/1020824003.db2.gz ZKVMQZHWSNTXGO-UHFFFAOYSA-N -1 0 314.309 -0.018 20 0 DBADRM Cc1ccc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)nc1 ZINC001581200709 1020828034 /nfs/dbraw/zinc/82/80/34/1020828034.db2.gz VLJJKUKJMYVUDK-UHFFFAOYSA-N -1 0 314.309 -0.018 20 0 DBADRM Cc1nc(-c2nn[nH]n2)cc(N2CC[C@@H](CS(N)(=O)=O)C2)n1 ZINC001581411251 1020833491 /nfs/dbraw/zinc/83/34/91/1020833491.db2.gz RNQCFAPZUBIUTC-MRVPVSSYSA-N -1 0 324.370 -0.920 20 0 DBADRM Cc1n[nH]c(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)c1C ZINC001581400022 1020833828 /nfs/dbraw/zinc/83/38/28/1020833828.db2.gz MEKVPAMWWZRRAU-UHFFFAOYSA-N -1 0 317.313 -0.382 20 0 DBADRM Cc1ncc(C(=O)NCc2nc(-c3nn[nH]n3)cs2)c(N)n1 ZINC001581542828 1020838199 /nfs/dbraw/zinc/83/81/99/1020838199.db2.gz YUOOPJCLXYSCCO-UHFFFAOYSA-N -1 0 317.338 -0.066 20 0 DBADRM C[C@@H](NC(=O)C(N)=O)C1CCN(C(=O)c2ncccc2O)CC1 ZINC001581543247 1020838522 /nfs/dbraw/zinc/83/85/22/1020838522.db2.gz IZWMIDJDOWTTFD-SECBINFHSA-N -1 0 320.349 -0.371 20 0 DBADRM Cc1nn(C)c(N2CCN([C@@H]3CCOC3)CC2)c1-c1nn[nH]n1 ZINC001581593416 1020838908 /nfs/dbraw/zinc/83/89/08/1020838908.db2.gz BHVHJNOEIPMUPH-LLVKDONJSA-N -1 0 318.385 -0.180 20 0 DBADRM Cc1nn(CC(=O)NCc2ccc(-c3nn[nH]n3)s2)c(=O)o1 ZINC001581603126 1020839406 /nfs/dbraw/zinc/83/94/06/1020839406.db2.gz JGEKJVWVXMIGTQ-UHFFFAOYSA-N -1 0 321.322 -0.297 20 0 DBADRM Cc1ncccc1CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001581561950 1020839438 /nfs/dbraw/zinc/83/94/38/1020839438.db2.gz CMPFYMSULBPIFZ-UHFFFAOYSA-N -1 0 314.309 -0.018 20 0 DBADRM Cc1nn(C)c(NC(=O)CCc2cnn(C)n2)c1-c1nn[nH]n1 ZINC001581593755 1020839609 /nfs/dbraw/zinc/83/96/09/1020839609.db2.gz RCOAMENVOYOWDS-UHFFFAOYSA-N -1 0 316.329 -0.392 20 0 DBADRM Cc1nn(CC(=O)NCc2nc(-c3nn[nH]n3)cs2)c(=O)o1 ZINC001581603079 1020839693 /nfs/dbraw/zinc/83/96/93/1020839693.db2.gz HARCMNPUVRCNQS-UHFFFAOYSA-N -1 0 322.310 -0.902 20 0 DBADRM Cc1nnc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)s1 ZINC001581611603 1020840333 /nfs/dbraw/zinc/84/03/33/1020840333.db2.gz YEUFHZRBQWNJAN-UHFFFAOYSA-N -1 0 321.326 -0.562 20 0 DBADRM Cc1nnc(Sc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)s1 ZINC001581611660 1020840435 /nfs/dbraw/zinc/84/04/35/1020840435.db2.gz AAYIBXDDKNCDTM-UHFFFAOYSA-N -1 0 324.351 -0.435 20 0 DBADRM Cn1c(=O)[nH]c(NCc2ncccc2F)c(-c2nnn[n-]2)c1=O ZINC001581747303 1020842832 /nfs/dbraw/zinc/84/28/32/1020842832.db2.gz HVTZVTBPDWYYJI-UHFFFAOYSA-N -1 0 318.272 -0.188 20 0 DBADRM Cn1c(=O)[nH]c(NCCc2ccoc2)c(-c2nnn[n-]2)c1=O ZINC001581747301 1020843505 /nfs/dbraw/zinc/84/35/05/1020843505.db2.gz HTBDMGHZCKDPKG-UHFFFAOYSA-N -1 0 303.282 -0.086 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H]2C[C@H](O)C23CCC3)c(-c2nnn[n-]2)c1=O ZINC001581747915 1020844214 /nfs/dbraw/zinc/84/42/14/1020844214.db2.gz KEPRDQPOKPDLCU-BQBZGAKWSA-N -1 0 319.325 -0.619 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2CCCC[C@@H]2F)n(C)c1=O ZINC001581752865 1020844336 /nfs/dbraw/zinc/84/43/36/1020844336.db2.gz BMOOLNRMPKOODA-JGVFFNPUSA-N -1 0 323.332 -0.043 20 0 DBADRM Cn1c(=O)[nH]c(NCC(C)(C)C(C)(C)O)c(-c2nnn[n-]2)c1=O ZINC001581747670 1020844608 /nfs/dbraw/zinc/84/46/08/1020844608.db2.gz DXKYRNGAWWWFNE-UHFFFAOYSA-N -1 0 323.357 -0.125 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H](CO)CC(F)F)c(-c2nnn[n-]2)c1=O ZINC001581748258 1020844672 /nfs/dbraw/zinc/84/46/72/1020844672.db2.gz VHVJHSCAISJRSU-BYPYZUCNSA-N -1 0 317.256 -0.906 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)Nc1c[nH]nc1-c1nnn[n-]1)CC2 ZINC001581846192 1020851013 /nfs/dbraw/zinc/85/10/13/1020851013.db2.gz YVEWKMBEHLLTBM-LURJTMIESA-N -1 0 314.313 -0.538 20 0 DBADRM O=C(C1CC1)N1CCC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001581923576 1020860166 /nfs/dbraw/zinc/86/01/66/1020860166.db2.gz WLMZNUCCFMZQTG-JTQLQIEISA-N -1 0 314.353 -0.109 20 0 DBADRM CC(C)(C)/C=C/C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001581961184 1020863247 /nfs/dbraw/zinc/86/32/47/1020863247.db2.gz FQCCZKPRUHRLLV-SNAWJCMRSA-N -1 0 323.353 -0.381 20 0 DBADRM O=C(CCCF)N[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001582046764 1020871235 /nfs/dbraw/zinc/87/12/35/1020871235.db2.gz YSRVIBGGDDNORR-DTORHVGOSA-N -1 0 320.332 -0.113 20 0 DBADRM C/C=C(\C)C(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001510680938 1020876129 /nfs/dbraw/zinc/87/61/29/1020876129.db2.gz QUEPGZIEHHESOL-WVXIBAHESA-N -1 0 309.326 -0.174 20 0 DBADRM O=C(CN1C[C@H](O)[C@@H](CO)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001582098792 1020876508 /nfs/dbraw/zinc/87/65/08/1020876508.db2.gz YVQFEQYFWLIMHA-PWSUYJOCSA-N -1 0 318.337 -0.910 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)N1C[C@@H](O)[C@H](CO)C1 ZINC001582130334 1020879102 /nfs/dbraw/zinc/87/91/02/1020879102.db2.gz SGRVZKBQUSZAOQ-GXSJLCMTSA-N -1 0 319.321 -0.943 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)N1C[C@H](O)[C@H](CO)C1 ZINC001582130337 1020879352 /nfs/dbraw/zinc/87/93/52/1020879352.db2.gz SGRVZKBQUSZAOQ-ONGXEEELSA-N -1 0 319.321 -0.943 20 0 DBADRM O=C(Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O)Nc1ccccc1 ZINC001582185162 1020883754 /nfs/dbraw/zinc/88/37/54/1020883754.db2.gz COPMNPCVBOELMU-UHFFFAOYSA-N -1 0 313.277 -0.232 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N[C@@H]1C[C@H]1C1CC1 ZINC001582187521 1020883944 /nfs/dbraw/zinc/88/39/44/1020883944.db2.gz FRVAPCGPZKLNJS-IONNQARKSA-N -1 0 317.309 -0.956 20 0 DBADRM O=C(Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O)NCc1ccco1 ZINC001582185328 1020884094 /nfs/dbraw/zinc/88/40/94/1020884094.db2.gz GSFFUMUFZRQKHB-UHFFFAOYSA-N -1 0 317.265 -0.962 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1ccc(-c2nn[nH]n2)s1 ZINC001582185842 1020884309 /nfs/dbraw/zinc/88/43/09/1020884309.db2.gz VVGMDJDLUYWEDG-UHFFFAOYSA-N -1 0 322.310 -0.753 20 0 DBADRM CC/C(C)=C/C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001582217952 1020886231 /nfs/dbraw/zinc/88/62/31/1020886231.db2.gz HCJBLVGMNQWDIL-XBXARRHUSA-N -1 0 321.337 -0.173 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)[C@@H]1CCNC1=O ZINC001582425291 1020896364 /nfs/dbraw/zinc/89/63/64/1020896364.db2.gz RQMAKDADXKLAGF-RKDXNWHRSA-N -1 0 323.353 -0.816 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CC=CC1 ZINC001582518085 1020900357 /nfs/dbraw/zinc/90/03/57/1020900357.db2.gz MLQQTRJSBKFPIY-JTQLQIEISA-N -1 0 323.353 -0.334 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)C1=C[S@@](=O)CCC1 ZINC001582527992 1020902886 /nfs/dbraw/zinc/90/28/86/1020902886.db2.gz BPDPTSSPPONSMH-QFIPXVFZSA-N -1 0 322.354 -0.999 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CC[C@]12CCOC2 ZINC001582528293 1020903246 /nfs/dbraw/zinc/90/32/46/1020903246.db2.gz NPKZSEUFTNQSBU-GFCCVEGCSA-N -1 0 319.329 -0.967 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCO[C@H]1C1CC1 ZINC001582528735 1020905178 /nfs/dbraw/zinc/90/51/78/1020905178.db2.gz KPWWMOJHVZSVHG-ZJUUUORDSA-N -1 0 318.341 -0.611 20 0 DBADRM O=C(NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)OC1CCC1 ZINC001582528512 1020906385 /nfs/dbraw/zinc/90/63/85/1020906385.db2.gz YKOPALGKMCVFGS-UHFFFAOYSA-N -1 0 321.297 -0.592 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCCC[C@H]1O ZINC001582528919 1020906578 /nfs/dbraw/zinc/90/65/78/1020906578.db2.gz SYMZRUXAQOFJMU-RKDXNWHRSA-N -1 0 321.345 -0.939 20 0 DBADRM O=C(c1ccc(F)c(-c2nn[nH]n2)c1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001582703546 1020920151 /nfs/dbraw/zinc/92/01/51/1020920151.db2.gz GUJFAFCHEDEWML-BXKDBHETSA-N -1 0 321.312 -0.179 20 0 DBADRM O=C(c1ccc(F)c(-c2nn[nH]n2)c1)N1CC(NC2COC2)C1 ZINC001582703953 1020920234 /nfs/dbraw/zinc/92/02/34/1020920234.db2.gz RHEWCARBAFLTMQ-UHFFFAOYSA-N -1 0 318.312 -0.181 20 0 DBADRM O=S(=O)(NC1(c2ncon2)CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001582792497 1020922215 /nfs/dbraw/zinc/92/22/15/1020922215.db2.gz GKSOJPLCMWDIPT-UHFFFAOYSA-N -1 0 323.294 -0.190 20 0 DBADRM O=C1NCCc2ccc(CNc3ccnc(-c4nnn[n-]4)n3)cc21 ZINC001582788440 1020922553 /nfs/dbraw/zinc/92/25/53/1020922553.db2.gz MYTRQBLDIYHYBZ-UHFFFAOYSA-N -1 0 322.332 -0.023 20 0 DBADRM O=S(=O)(NCC1OCCCO1)c1ccc(-c2nnn[n-]2)o1 ZINC001582795900 1020924510 /nfs/dbraw/zinc/92/45/10/1020924510.db2.gz VARUNTXCKGKRMK-UHFFFAOYSA-N -1 0 315.311 -0.499 20 0 DBADRM O=S(=O)(N[C@@H]1CC[C@H]1O)c1ccsc1-c1nnn[n-]1 ZINC001582797843 1020925583 /nfs/dbraw/zinc/92/55/83/1020925583.db2.gz MDYCZMWEOIAIQW-PHDIDXHHSA-N -1 0 301.353 -0.270 20 0 DBADRM O=c1[n-]c([C@H]2CCCN(c3nnccc3-c3nn[nH]n3)C2)n[nH]1 ZINC001582808991 1020926946 /nfs/dbraw/zinc/92/69/46/1020926946.db2.gz OQUKEOACXQFGNQ-ZETCQYMHSA-N -1 0 314.313 -0.136 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)NC(=O)c1cn[nH]n1 ZINC001582925140 1020939888 /nfs/dbraw/zinc/93/98/88/1020939888.db2.gz XWAYJOSJWHQBLY-UWVGGRQHSA-N -1 0 322.369 -0.846 20 0 DBADRM C/C=C(\C)C(=O)N(C)CCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001582942607 1020943704 /nfs/dbraw/zinc/94/37/04/1020943704.db2.gz MCDFXKQYTQWUJE-UXBLZVDNSA-N -1 0 322.365 -0.018 20 0 DBADRM CC/C=C(/C)C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001584889926 1021038112 /nfs/dbraw/zinc/03/81/12/1021038112.db2.gz QLKFJSCNWYUHED-WTKPLQERSA-N -1 0 323.353 -0.189 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2cn[nH]c2-c2cnn(C)c2)C(=O)N1C ZINC001585138937 1021046668 /nfs/dbraw/zinc/04/66/68/1021046668.db2.gz XAZUMHUVQCYBDV-ZETCQYMHSA-N -1 0 317.309 -0.263 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2cn(C[C@H]3CCOC3)nn2)C(=O)N1C ZINC001585143859 1021047998 /nfs/dbraw/zinc/04/79/98/1021047998.db2.gz XBOVOPJHRSTTQL-DTWKUNHWSA-N -1 0 322.325 -0.758 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CC[C@H](NC(=O)C2CC2)C1 ZINC001511448258 1021049562 /nfs/dbraw/zinc/04/95/62/1021049562.db2.gz MCLFFMKIGPEYDK-WPRPVWTQSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@]1(CCCC(=O)N2CC[C@H](c3nnn[n-]3)C2)NC(=O)NC1=O ZINC001588217325 1021087604 /nfs/dbraw/zinc/08/76/04/1021087604.db2.gz FETIUDKFYKFIMF-ISVAXAHUSA-N -1 0 321.341 -0.716 20 0 DBADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1ccnn1C)CN1CCOCC1 ZINC001588481643 1021102363 /nfs/dbraw/zinc/10/23/63/1021102363.db2.gz YPHYRVQSVCKQKP-RBJHHQRMSA-N -1 0 322.365 -0.060 20 0 DBADRM CC(=O)N1CC[C@@H](COC(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001588494994 1021106606 /nfs/dbraw/zinc/10/66/06/1021106606.db2.gz UCQOOIOYERYPPG-LLVKDONJSA-N -1 0 322.317 -0.042 20 0 DBADRM CC(=O)N1CC[C@@H](CN(C)C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC001588492417 1021107178 /nfs/dbraw/zinc/10/71/78/1021107178.db2.gz HTQQGTNMSAHQMR-NSHDSACASA-N -1 0 313.354 -0.706 20 0 DBADRM CC(=O)N1CC[C@H](CNC(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001588495005 1021107207 /nfs/dbraw/zinc/10/72/07/1021107207.db2.gz UOZPSYZISHPGAA-LLVKDONJSA-N -1 0 321.333 -0.469 20 0 DBADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccon1)[C@H](C)C(=O)[O-] ZINC001588502120 1021107823 /nfs/dbraw/zinc/10/78/23/1021107823.db2.gz OOIDLKYUVUZPBA-SSDOTTSWSA-N -1 0 312.282 -0.949 20 0 DBADRM CC(=O)NCCN(C(=O)c1cnc2cccnn21)[C@H](C)C(=O)[O-] ZINC001588508164 1021108331 /nfs/dbraw/zinc/10/83/31/1021108331.db2.gz CEVAUZVPAOZQCL-SECBINFHSA-N -1 0 319.321 -0.219 20 0 DBADRM CC(=O)NCCN(C(=O)CC1OCCCO1)[C@@H](C)C(=O)[O-] ZINC001588506656 1021108348 /nfs/dbraw/zinc/10/83/48/1021108348.db2.gz MHSGJXGDXRBDPE-VIFPVBQESA-N -1 0 302.327 -0.423 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCCn2ncnc21)[C@H](C)C(=O)[O-] ZINC001588506972 1021108360 /nfs/dbraw/zinc/10/83/60/1021108360.db2.gz XMRGTJGSTOWKNU-KOLCDFICSA-N -1 0 323.353 -0.407 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccnc2n[nH]nc21)[C@@H](C)C(=O)[O-] ZINC001588508472 1021108384 /nfs/dbraw/zinc/10/83/84/1021108384.db2.gz JQTVFLDDPNONRH-ZETCQYMHSA-N -1 0 320.309 -0.596 20 0 DBADRM CC(=O)NCCN(C(=O)c1cc2n(n1)CCO2)[C@H](C)C(=O)[O-] ZINC001588508230 1021109066 /nfs/dbraw/zinc/10/90/66/1021109066.db2.gz GBIVQVMKKSFLMY-MRVPVSSYSA-N -1 0 310.310 -0.673 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc(CO)nc1)[C@@H](C)C(=O)[O-] ZINC001588508487 1021109460 /nfs/dbraw/zinc/10/94/60/1021109460.db2.gz MVYVSJLAGCCJGR-VIFPVBQESA-N -1 0 309.322 -0.375 20 0 DBADRM CC(=O)NCCN(C(=O)c1cc2n(n1)CCCO2)[C@@H](C)C(=O)[O-] ZINC001588508755 1021109485 /nfs/dbraw/zinc/10/94/85/1021109485.db2.gz QVOFVNMUWSUKQF-VIFPVBQESA-N -1 0 324.337 -0.283 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@H](C)C(=O)[O-] ZINC001588507814 1021109498 /nfs/dbraw/zinc/10/94/98/1021109498.db2.gz SNAHARFCOHNYLH-IEBDPFPHSA-N -1 0 313.354 -0.674 20 0 DBADRM CC(=O)NCCN(C(=O)c1nnc(C)s1)[C@H](C)C(=O)[O-] ZINC001588509134 1021110074 /nfs/dbraw/zinc/11/00/74/1021110074.db2.gz ZCMSINKZTPLFNR-ZCFIWIBFSA-N -1 0 300.340 -0.102 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001588515152 1021110425 /nfs/dbraw/zinc/11/04/25/1021110425.db2.gz FLQDPYKVTFLFHI-NSHDSACASA-N -1 0 313.354 -0.707 20 0 DBADRM CC(=O)OCC(C)(C)CC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001588525698 1021111496 /nfs/dbraw/zinc/11/14/96/1021111496.db2.gz AMBNGLFXPRPIIY-UHFFFAOYSA-N -1 0 314.338 -0.279 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001588513343 1021111647 /nfs/dbraw/zinc/11/16/47/1021111647.db2.gz LJSWTHPTCJMICZ-NSHDSACASA-N -1 0 313.354 -0.802 20 0 DBADRM CC(=O)c1cc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])on1 ZINC001588528080 1021113202 /nfs/dbraw/zinc/11/32/02/1021113202.db2.gz PKSMSZFABAVVEG-SNVBAGLBSA-N -1 0 302.308 -0.439 20 0 DBADRM CC(=O)c1cn(CC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])nn1 ZINC001588534393 1021114119 /nfs/dbraw/zinc/11/41/19/1021114119.db2.gz ZOSPJGIWFAJTHV-NSHDSACASA-N -1 0 317.305 -0.312 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001588565699 1021116685 /nfs/dbraw/zinc/11/66/85/1021116685.db2.gz WQIRHLKBJLOTRN-SECBINFHSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001588576230 1021117833 /nfs/dbraw/zinc/11/78/33/1021117833.db2.gz PGNQHMIZMIJVOK-IWSPIJDZSA-N -1 0 302.327 -0.197 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001588563423 1021118321 /nfs/dbraw/zinc/11/83/21/1021118321.db2.gz SNXOMJJTMJGQKL-ZJUUUORDSA-N -1 0 306.384 -0.716 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)c1cn(C(F)(F)CO)nn1)C1CC1 ZINC001588591508 1021119271 /nfs/dbraw/zinc/11/92/71/1021119271.db2.gz PMLKSKHTUFDBGZ-ZCFIWIBFSA-N -1 0 304.253 -0.103 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)OCc1nc(CS(C)(=O)=O)no1 ZINC001588616918 1021119333 /nfs/dbraw/zinc/11/93/33/1021119333.db2.gz IFCYPVXUVRDHIL-UHFFFAOYSA-N -1 0 306.296 -0.232 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CCS(=O)(=O)CC(=O)[O-] ZINC001588606969 1021120001 /nfs/dbraw/zinc/12/00/01/1021120001.db2.gz OYOIGMARCBNWBK-RKDXNWHRSA-N -1 0 315.413 -0.761 20 0 DBADRM C[C@H](C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O)N1CCSCC1 ZINC001588606534 1021120190 /nfs/dbraw/zinc/12/01/90/1021120190.db2.gz IRGJBINIGVBNRN-NXEZZACHSA-N -1 0 316.379 -0.348 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N1CCO[C@H](CN2CCOCC2)C1 ZINC001588611478 1021120418 /nfs/dbraw/zinc/12/04/18/1021120418.db2.gz TYYKBWYZQMJTCR-LLVKDONJSA-N -1 0 300.355 -0.343 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N[C@]2(CO)CCOC2)n1 ZINC001588622601 1021121943 /nfs/dbraw/zinc/12/19/43/1021121943.db2.gz CLNFOSCYFFYGKG-ZDUSSCGKSA-N -1 0 312.326 -0.024 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)CCCS(N)(=O)=O)n1 ZINC001588621356 1021122382 /nfs/dbraw/zinc/12/23/82/1021122382.db2.gz FOCIXQQFTQMAFZ-UHFFFAOYSA-N -1 0 318.355 -0.290 20 0 DBADRM C=CC(=O)N(CC)CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001588654710 1021123831 /nfs/dbraw/zinc/12/38/31/1021123831.db2.gz ITUSDMYGTKBISS-SNVBAGLBSA-N -1 0 311.338 -0.787 20 0 DBADRM CC(C)(C)[C@@H](CO)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001588640948 1021125017 /nfs/dbraw/zinc/12/50/17/1021125017.db2.gz RKBWQZMSMGBFON-MRVPVSSYSA-N -1 0 312.326 -0.571 20 0 DBADRM CC(C)(C)OC(=O)NCCN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001588715211 1021127843 /nfs/dbraw/zinc/12/78/43/1021127843.db2.gz CBBSEGPYXMMBLT-VIFPVBQESA-N -1 0 322.383 -0.305 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)NCC(=O)[O-])[C@H]2C[C@H]21 ZINC001588694975 1021127935 /nfs/dbraw/zinc/12/79/35/1021127935.db2.gz USHBGUDRENTJSZ-VHSXEESVSA-N -1 0 313.354 -0.119 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001588716731 1021128378 /nfs/dbraw/zinc/12/83/78/1021128378.db2.gz XWQQNUOHMRKZHO-BDAKNGLRSA-N -1 0 302.327 -0.052 20 0 DBADRM CC(C)(C)OC(=O)NOCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001588718604 1021129044 /nfs/dbraw/zinc/12/90/44/1021129044.db2.gz DTZSEXNHCZIXOC-MRVPVSSYSA-N -1 0 304.299 -0.245 20 0 DBADRM CC(C)(CCNC(=O)NCc1nnc2n1CCNC2=O)C(=O)[O-] ZINC001588773473 1021131649 /nfs/dbraw/zinc/13/16/49/1021131649.db2.gz BJIPFNKYUQWPHO-UHFFFAOYSA-N -1 0 324.341 -0.678 20 0 DBADRM CC(C)(O)[C@@H]1CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001588796092 1021132808 /nfs/dbraw/zinc/13/28/08/1021132808.db2.gz SELYXQGNIAUHSJ-MNOVXSKESA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)(O)C1CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001588795207 1021133392 /nfs/dbraw/zinc/13/33/92/1021133392.db2.gz BACMSTMTLWLLHR-UHFFFAOYSA-N -1 0 307.306 -0.052 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1 ZINC001588808878 1021134165 /nfs/dbraw/zinc/13/41/65/1021134165.db2.gz ZTHXTBKBGHQHEU-IVZWLZJFSA-N -1 0 306.384 -0.083 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCCN(CC(=O)N(C)C)CC1 ZINC001588803083 1021134723 /nfs/dbraw/zinc/13/47/23/1021134723.db2.gz LVHRSRDJUVOXSC-CYBMUJFWSA-N -1 0 313.398 -0.034 20 0 DBADRM CC(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001588881058 1021146954 /nfs/dbraw/zinc/14/69/54/1021146954.db2.gz NRISQYIAFGIYBS-QWRGUYRKSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@@](C)(CO)C1)C(=O)[O-] ZINC001588815289 1021136135 /nfs/dbraw/zinc/13/61/35/1021136135.db2.gz KIDVCQGTPFSXFE-JRPNMDOOSA-N -1 0 314.382 -0.064 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1C[C@H](C)[C@@](C)(CO)C1)C(=O)[O-] ZINC001588815292 1021137668 /nfs/dbraw/zinc/13/76/68/1021137668.db2.gz KIDVCQGTPFSXFE-ZIBATOQPSA-N -1 0 314.382 -0.064 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CCC(S(N)(=O)=O)CC1)C(=O)[O-] ZINC001588822576 1021137675 /nfs/dbraw/zinc/13/76/75/1021137675.db2.gz JHIKQRSRDVOTRB-SNVBAGLBSA-N -1 0 321.399 -0.194 20 0 DBADRM CC(C)[C@H](CNC(=O)Nc1ccc(=O)n(CC(N)=O)c1)C(=O)[O-] ZINC001588827150 1021139808 /nfs/dbraw/zinc/13/98/08/1021139808.db2.gz LMTJOFCXXLLAPN-JTQLQIEISA-N -1 0 324.337 -0.188 20 0 DBADRM CC(=O)NC1CCC(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001588840157 1021140148 /nfs/dbraw/zinc/14/01/48/1021140148.db2.gz NVZUTJABGRLBGY-UHFFFAOYSA-N -1 0 302.342 -0.062 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC001588843256 1021141348 /nfs/dbraw/zinc/14/13/48/1021141348.db2.gz HCTGXABHKOLJQF-SKDRFNHKSA-N -1 0 315.370 -0.382 20 0 DBADRM CC(C)C[C@@H](CNC(=O)N(C)CCNS(C)(=O)=O)C(=O)[O-] ZINC001588846873 1021141426 /nfs/dbraw/zinc/14/14/26/1021141426.db2.gz PODBEDMKYDRKBX-JTQLQIEISA-N -1 0 323.415 -0.076 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N(C)CCCC(=O)[O-] ZINC001588843163 1021142208 /nfs/dbraw/zinc/14/22/08/1021142208.db2.gz BWMQVUUAGHTWEF-JTQLQIEISA-N -1 0 315.370 -0.284 20 0 DBADRM CC(C)C[C@H](CNC(=O)NC[C@H](O)CS(C)(=O)=O)C(=O)[O-] ZINC001588852813 1021142839 /nfs/dbraw/zinc/14/28/39/1021142839.db2.gz PXOXDARQSGUGKW-ZJUUUORDSA-N -1 0 324.399 -0.562 20 0 DBADRM CC(=O)NCCCCCn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC001588861539 1021145042 /nfs/dbraw/zinc/14/50/42/1021145042.db2.gz JNBWSPYHPBYHNO-UHFFFAOYSA-N -1 0 321.341 -0.967 20 0 DBADRM CC(C)C[C@@H](NS(=O)(=O)CCN1CCOC1=O)C(=O)[O-] ZINC001588887548 1021147440 /nfs/dbraw/zinc/14/74/40/1021147440.db2.gz RITSXHFFNWIPED-SECBINFHSA-N -1 0 308.356 -0.143 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(c2cc(C(=O)[O-])ccn2)CC1 ZINC001588923167 1021152216 /nfs/dbraw/zinc/15/22/16/1021152216.db2.gz HSIZFXWWSMQBSL-UHFFFAOYSA-N -1 0 320.349 -0.047 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001588927524 1021152367 /nfs/dbraw/zinc/15/23/67/1021152367.db2.gz QKIDALVRDCZSLV-GFCCVEGCSA-N -1 0 321.399 -0.564 20 0 DBADRM CC(C)NC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001588923328 1021153028 /nfs/dbraw/zinc/15/30/28/1021153028.db2.gz SAFQGJSAVVFUEA-NXEZZACHSA-N -1 0 313.354 -0.661 20 0 DBADRM CC(C)NC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001588927772 1021153288 /nfs/dbraw/zinc/15/32/88/1021153288.db2.gz GBEGBMOPMNGLFU-ONGXEEELSA-N -1 0 311.338 -0.021 20 0 DBADRM CC(C)OC[C@@H]1CN(C(=O)C(=O)NCCC(=O)[O-])CCO1 ZINC001588933243 1021154842 /nfs/dbraw/zinc/15/48/42/1021154842.db2.gz JFTCJLPDTVMWOJ-JTQLQIEISA-N -1 0 302.327 -0.770 20 0 DBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1ccc2ncnn2c1)C(=O)[O-] ZINC001588943074 1021157485 /nfs/dbraw/zinc/15/74/85/1021157485.db2.gz MVGOCKULVGFUBP-SNVBAGLBSA-N -1 0 305.294 -0.107 20 0 DBADRM C[C@H](C(=O)N1CC(C(C)(C)O)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588944903 1021157508 /nfs/dbraw/zinc/15/75/08/1021157508.db2.gz GEPMAPKVFRLGPF-SSDOTTSWSA-N -1 0 306.330 -0.752 20 0 DBADRM C/C(=C/C(=O)[O-])CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O ZINC001588947531 1021159025 /nfs/dbraw/zinc/15/90/25/1021159025.db2.gz YYPHEVWGZWJXDX-VURMDHGXSA-N -1 0 316.335 -0.484 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H]1C(C)(C)O)n1cnc(-c2nnn[n-]2)n1 ZINC001588954020 1021161440 /nfs/dbraw/zinc/16/14/40/1021161440.db2.gz FEGVKAYPVYYUTG-BDAKNGLRSA-N -1 0 320.357 -0.219 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H]1C(C)(C)O)n1cnc(-c2nnn[n-]2)n1 ZINC001588954023 1021162390 /nfs/dbraw/zinc/16/23/90/1021162390.db2.gz FEGVKAYPVYYUTG-RKDXNWHRSA-N -1 0 320.357 -0.219 20 0 DBADRM C[C@H](C(=O)N1CCCC[C@@H]1CCO)n1cnc(-c2nnn[n-]2)n1 ZINC001588957011 1021163103 /nfs/dbraw/zinc/16/31/03/1021163103.db2.gz OAMRPHDIKMUEAG-NXEZZACHSA-N -1 0 320.357 -0.217 20 0 DBADRM C[C@@H](C(=O)N1CCC2(COC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588952280 1021163672 /nfs/dbraw/zinc/16/36/72/1021163672.db2.gz ROQTUMMYKVAFFR-QMMMGPOBSA-N -1 0 304.314 -0.732 20 0 DBADRM CC(C)[C@@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001588950845 1021163948 /nfs/dbraw/zinc/16/39/48/1021163948.db2.gz DIIHXLRKHMLQBF-VXNVDRBHSA-N -1 0 311.298 -0.775 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](CO)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588954860 1021164457 /nfs/dbraw/zinc/16/44/57/1021164457.db2.gz PLGLYSZMOQLARH-ZJUUUORDSA-N -1 0 320.357 -0.360 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)[O-] ZINC001588960849 1021164873 /nfs/dbraw/zinc/16/48/73/1021164873.db2.gz NNAVFGNSFIEMMT-SKLCBMLGSA-N -1 0 301.390 -0.496 20 0 DBADRM C[C@@H](C(=O)N1CC[C@H](O)C(C)(C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588952255 1021165028 /nfs/dbraw/zinc/16/50/28/1021165028.db2.gz QPJNCTRLPVCEMQ-IUCAKERBSA-N -1 0 320.357 -0.361 20 0 DBADRM C[C@H](C(=O)N[C@H](CCO)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588970992 1021166583 /nfs/dbraw/zinc/16/65/83/1021166583.db2.gz SIICQUNBSNKYPA-VXNVDRBHSA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@H](C(=O)N[C@@H]1C[C@@H](O)C12CCC2)n1cnc(-c2nnn[n-]2)n1 ZINC001588970349 1021167542 /nfs/dbraw/zinc/16/75/42/1021167542.db2.gz FQDFJNBAHNKLDO-IWSPIJDZSA-N -1 0 318.341 -0.561 20 0 DBADRM C[C@H](C(=O)N=c1sccn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001588965624 1021169560 /nfs/dbraw/zinc/16/95/60/1021169560.db2.gz GQBQRWKLWHJVKD-ZCFIWIBFSA-N -1 0 305.327 -0.453 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCCOCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588974035 1021170670 /nfs/dbraw/zinc/17/06/70/1021170670.db2.gz XAOSBYURNJKRDJ-BDAKNGLRSA-N -1 0 306.330 -0.296 20 0 DBADRM C/C(=C/CNC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)C(=O)[O-] ZINC001588968206 1021170743 /nfs/dbraw/zinc/17/07/43/1021170743.db2.gz LDRPJMQUUPJIRJ-ZUYFITGHSA-N -1 0 319.383 -0.307 20 0 DBADRM C[C@H](C(=O)NC1(CO)CCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588970612 1021171194 /nfs/dbraw/zinc/17/11/94/1021171194.db2.gz LNYUPPKYTFTOCB-MRVPVSSYSA-N -1 0 306.330 -0.560 20 0 DBADRM C[C@@H](C(=O)NC1COC(C)(C)OC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588980039 1021172658 /nfs/dbraw/zinc/17/26/58/1021172658.db2.gz SKCIMZHXVHMAOE-ZETCQYMHSA-N -1 0 322.329 -0.713 20 0 DBADRM CC(C)n1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC001588982617 1021174487 /nfs/dbraw/zinc/17/44/87/1021174487.db2.gz PVWLJWGPGMJUOX-SECBINFHSA-N -1 0 310.310 -0.286 20 0 DBADRM C[C@@H](C(=O)NCCOCC1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588992092 1021174968 /nfs/dbraw/zinc/17/49/68/1021174968.db2.gz NNCPOBRXWJKYOC-QMMMGPOBSA-N -1 0 306.330 -0.438 20 0 DBADRM C[C@H](C(=O)NCC1([S@](C)=O)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588983739 1021175294 /nfs/dbraw/zinc/17/52/94/1021175294.db2.gz JPVSCVIYIJABQB-YNSPTIENSA-N -1 0 324.370 -0.954 20 0 DBADRM CC(C)n1ncc(C(=O)NCCOCCOCC(=O)[O-])c1N ZINC001588987248 1021175747 /nfs/dbraw/zinc/17/57/47/1021175747.db2.gz PWPNSNYNWCWWQF-UHFFFAOYSA-N -1 0 314.342 -0.106 20 0 DBADRM C[C@H](CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])n1cccn1 ZINC001588988755 1021175574 /nfs/dbraw/zinc/17/55/74/1021175574.db2.gz HVLHJFKSKNMWAC-NXEZZACHSA-N -1 0 315.351 -0.456 20 0 DBADRM CC(C)n1[nH]cnc1=NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588988392 1021176031 /nfs/dbraw/zinc/17/60/31/1021176031.db2.gz HCYRJEMOHHZZOV-CYBMUJFWSA-N -1 0 309.326 -0.457 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC001588993787 1021178154 /nfs/dbraw/zinc/17/81/54/1021178154.db2.gz IVPFSDYTZUMQDT-QMMMGPOBSA-N -1 0 318.293 -0.420 20 0 DBADRM C[C@@H](C(=O)NCc1cncn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001589000343 1021178281 /nfs/dbraw/zinc/17/82/81/1021178281.db2.gz ZCJMDGKAGKIKEW-ZETCQYMHSA-N -1 0 302.302 -0.931 20 0 DBADRM C[C@@H](C(=O)[N-]OC1CC[NH+](C)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001589003174 1021179841 /nfs/dbraw/zinc/17/98/41/1021179841.db2.gz REPCQJKQSYPLLN-QMMMGPOBSA-N -1 0 321.345 -0.839 20 0 DBADRM C[C@@H](C(=O)NCCc1nccs1)n1cnc(-c2nnn[n-]2)n1 ZINC001588996501 1021179901 /nfs/dbraw/zinc/17/99/01/1021179901.db2.gz VAGQJTHHCBKOCB-ZETCQYMHSA-N -1 0 319.354 -0.165 20 0 DBADRM C[C@@H](C(=O)NCc1cccnn1)n1cnc(-c2nnn[n-]2)n1 ZINC001589000321 1021179933 /nfs/dbraw/zinc/17/99/33/1021179933.db2.gz YJJXLLHICUHIDP-ZETCQYMHSA-N -1 0 300.286 -0.874 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)CC(=O)[O-] ZINC001589123296 1021195648 /nfs/dbraw/zinc/19/56/48/1021195648.db2.gz RWWGHFLSUKCDIV-WPRPVWTQSA-N -1 0 300.311 -0.480 20 0 DBADRM C[C@H](C(=O)O[C@H]1CCC(=O)N(C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001589025655 1021182697 /nfs/dbraw/zinc/18/26/97/1021182697.db2.gz AQSJCFQLYQTTRC-SFYZADRCSA-N -1 0 320.313 -0.817 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2)n1cnc(-c2nnn[n-]2)n1 ZINC001589006682 1021183159 /nfs/dbraw/zinc/18/31/59/1021183159.db2.gz MWYQRPFYDZKANP-RBXMUDONSA-N -1 0 304.314 -0.545 20 0 DBADRM C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2)n1cnc(-c2nnn[n-]2)n1 ZINC001589006680 1021183259 /nfs/dbraw/zinc/18/32/59/1021183259.db2.gz MWYQRPFYDZKANP-BZNPZCIMSA-N -1 0 304.314 -0.545 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCC[C@@H]1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001589005168 1021183398 /nfs/dbraw/zinc/18/33/98/1021183398.db2.gz CDCVJOUCSDATIK-IWSPIJDZSA-N -1 0 306.330 -0.704 20 0 DBADRM CC(=O)N1CC(C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)C1 ZINC001589058632 1021186429 /nfs/dbraw/zinc/18/64/29/1021186429.db2.gz YDMSWMHNKRJCFE-NSHDSACASA-N -1 0 300.311 -0.767 20 0 DBADRM C[C@H](C(=O)OCCCc1cn[nH]c1)n1cnc(-c2nnn[n-]2)n1 ZINC001589031332 1021188110 /nfs/dbraw/zinc/18/81/10/1021188110.db2.gz ZYGSAQPFNSGONL-MRVPVSSYSA-N -1 0 317.313 -0.082 20 0 DBADRM C[C@H](C(=O)OCc1ccn(C)n1)n1cnc(-c2nnn[n-]2)n1 ZINC001589030971 1021189621 /nfs/dbraw/zinc/18/96/21/1021189621.db2.gz RHWLCQZUQIPHJV-SSDOTTSWSA-N -1 0 303.286 -0.504 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001589076093 1021190360 /nfs/dbraw/zinc/19/03/60/1021190360.db2.gz ZNZDUDZITQDVMD-VHSXEESVSA-N -1 0 300.311 -0.670 20 0 DBADRM CC(=O)N1CCO[C@@H](C(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC001589087000 1021191382 /nfs/dbraw/zinc/19/13/82/1021191382.db2.gz HYFOTIUZECQPLO-SECBINFHSA-N -1 0 313.335 -0.044 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001589076090 1021191606 /nfs/dbraw/zinc/19/16/06/1021191606.db2.gz ZNZDUDZITQDVMD-NXEZZACHSA-N -1 0 300.311 -0.670 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@@H](C)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001589080356 1021191625 /nfs/dbraw/zinc/19/16/25/1021191625.db2.gz WRKPPSMCAUBPMI-SNVBAGLBSA-N -1 0 323.353 -0.541 20 0 DBADRM CC(=O)N1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)[C@@H](C)C1 ZINC001589079689 1021191787 /nfs/dbraw/zinc/19/17/87/1021191787.db2.gz KJNLXWJYKKWGEC-JTQLQIEISA-N -1 0 321.333 -0.374 20 0 DBADRM CC(=O)N1CCC[C@H](CNC(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001589071051 1021191988 /nfs/dbraw/zinc/19/19/88/1021191988.db2.gz SWLFSFUZFRNNGB-LLVKDONJSA-N -1 0 308.338 -0.044 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)C[C@H](C)CC(=O)[O-])CC1 ZINC001589079553 1021192396 /nfs/dbraw/zinc/19/23/96/1021192396.db2.gz HIOMGGYYKLSVLP-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM CC(=O)N1CCO[C@@H](C(=O)N2CCSC[C@@H]2C(=O)[O-])C1 ZINC001589087357 1021192600 /nfs/dbraw/zinc/19/26/00/1021192600.db2.gz VNRANLVEPILXMY-NXEZZACHSA-N -1 0 302.352 -0.738 20 0 DBADRM CC(=O)N1CCO[C@@H](C(=O)N[C@@]2(C(=O)[O-])CCSC2)C1 ZINC001589086632 1021193055 /nfs/dbraw/zinc/19/30/55/1021193055.db2.gz CPRJOIWZAQAUKD-SKDRFNHKSA-N -1 0 302.352 -0.690 20 0 DBADRM CC(=O)N1CCO[C@H](C(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC001589087001 1021193456 /nfs/dbraw/zinc/19/34/56/1021193456.db2.gz HYFOTIUZECQPLO-VIFPVBQESA-N -1 0 313.335 -0.044 20 0 DBADRM CC(=O)N[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001589120902 1021195124 /nfs/dbraw/zinc/19/51/24/1021195124.db2.gz DGRQOGAEYLYPKY-SSDOTTSWSA-N -1 0 302.312 -0.993 20 0 DBADRM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cccnc2C(=O)[O-])C1 ZINC001589087942 1021195145 /nfs/dbraw/zinc/19/51/45/1021195145.db2.gz YQCWCZDIOSBRRQ-SECBINFHSA-N -1 0 313.335 -0.321 20 0 DBADRM CC(=O)N[C@@H](CCC(C)C)C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001589112067 1021195401 /nfs/dbraw/zinc/19/54/01/1021195401.db2.gz AIMDICVJNLIDJC-SMDDNHRTSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)C1(C(=O)[O-])CC1 ZINC001589093940 1021195856 /nfs/dbraw/zinc/19/58/56/1021195856.db2.gz XEFRNWKRECRVLR-MRVPVSSYSA-N -1 0 301.320 -0.115 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)C2(C(=O)[O-])CC2)C1 ZINC001589119586 1021196236 /nfs/dbraw/zinc/19/62/36/1021196236.db2.gz DUSYHJHYUQZGCB-JTQLQIEISA-N -1 0 312.322 -0.479 20 0 DBADRM CC(C)(C)C[C@@H](O)CC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589118125 1021196614 /nfs/dbraw/zinc/19/66/14/1021196614.db2.gz BQYZXXSPHKUASD-VIFPVBQESA-N -1 0 322.373 -0.238 20 0 DBADRM CC(C)(C)[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001589105005 1021197069 /nfs/dbraw/zinc/19/70/69/1021197069.db2.gz MBSWLRJBLLJDAC-SECBINFHSA-N -1 0 320.357 -0.268 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N1CCc2ccc(C(=O)[O-])cc21)C(N)=O ZINC001589153162 1021199097 /nfs/dbraw/zinc/19/90/97/1021199097.db2.gz PVECTJMCHRIBLA-NSHDSACASA-N -1 0 319.317 -0.346 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001589127901 1021199670 /nfs/dbraw/zinc/19/96/70/1021199670.db2.gz XBMPXNYLORPXBG-UHFFFAOYSA-N -1 0 323.353 -0.713 20 0 DBADRM CC(=O)NCCNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589143435 1021199718 /nfs/dbraw/zinc/19/97/18/1021199718.db2.gz DNEGPOOHJXHJKJ-VIFPVBQESA-N -1 0 310.314 -0.931 20 0 DBADRM CC(C)(C)N1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)CC1=O ZINC001589133846 1021200053 /nfs/dbraw/zinc/20/00/53/1021200053.db2.gz GMZZMWVJUBGJSR-MRVPVSSYSA-N -1 0 302.342 -0.110 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001589127734 1021200377 /nfs/dbraw/zinc/20/03/77/1021200377.db2.gz MEEGCHYUPTZSPC-UHFFFAOYSA-N -1 0 301.343 -0.754 20 0 DBADRM CC(C)(C)NC(=O)NC(=O)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001589140919 1021201113 /nfs/dbraw/zinc/20/11/13/1021201113.db2.gz FYEFKERZJPBWDW-UHFFFAOYSA-N -1 0 319.325 -0.347 20 0 DBADRM CC(=O)N[C@H](CC1CCC1)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001589165260 1021202364 /nfs/dbraw/zinc/20/23/64/1021202364.db2.gz BNFUKEBJESEDML-FRRDWIJNSA-N -1 0 312.366 -0.025 20 0 DBADRM CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@H](O)C(=O)[O-])c1 ZINC001589180702 1021202814 /nfs/dbraw/zinc/20/28/14/1021202814.db2.gz DJOHIPMUIWXARJ-LBPRGKRZSA-N -1 0 323.305 -0.221 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C(N)=O ZINC001589153451 1021203624 /nfs/dbraw/zinc/20/36/24/1021203624.db2.gz YLNYQSFUEUVZLS-QFOLPQNPSA-N -1 0 311.338 -0.922 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)Cc1nc(C(C)C)no1)C(=O)[O-] ZINC001589155985 1021203710 /nfs/dbraw/zinc/20/37/10/1021203710.db2.gz MVKQSFKLELGOKK-QMMMGPOBSA-N -1 0 319.339 -0.303 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)Cc1nnc(C(C)C)[nH]1)C(=O)[O-] ZINC001589155766 1021204249 /nfs/dbraw/zinc/20/42/49/1021204249.db2.gz KXRROHBVXZNHDW-QMMMGPOBSA-N -1 0 318.355 -0.568 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)Cc1ncnn1C(C)(C)C)C(=O)[O-] ZINC001589157983 1021204958 /nfs/dbraw/zinc/20/49/58/1021204958.db2.gz ZJDCWZZIQJNIFU-FPVGNUTFSA-N -1 0 316.383 -0.129 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001589228429 1021205016 /nfs/dbraw/zinc/20/50/16/1021205016.db2.gz HBAPDAOYJXCSRL-WPRPVWTQSA-N -1 0 309.340 -0.557 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)CCNC(=O)NC(C)C)C(=O)[O-] ZINC001589156000 1021205194 /nfs/dbraw/zinc/20/51/94/1021205194.db2.gz NDXZQNOJAJVVHN-GWNMQOMSSA-N -1 0 307.372 -0.968 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])s1 ZINC001589225057 1021205438 /nfs/dbraw/zinc/20/54/38/1021205438.db2.gz PMXMWKFSXCVDOD-ZCFIWIBFSA-N -1 0 323.352 -0.785 20 0 DBADRM CC(=O)Nc1cnccc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001589223116 1021205472 /nfs/dbraw/zinc/20/54/72/1021205472.db2.gz MFGOJAXKZJLCMW-ZJUUUORDSA-N -1 0 307.306 -0.052 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)CNC(=O)[C@H]1C[C@@H]1C ZINC001512461271 1021205778 /nfs/dbraw/zinc/20/57/78/1021205778.db2.gz AHQYXISXYQRYSY-YIZRAAEISA-N -1 0 323.353 -0.094 20 0 DBADRM CC(=O)c1cn(CC(=O)N[C@@H](C(=O)[O-])c2cccnc2)nn1 ZINC001589319102 1021206792 /nfs/dbraw/zinc/20/67/92/1021206792.db2.gz YTVIZTZZAXOBFL-GFCCVEGCSA-N -1 0 303.278 -0.182 20 0 DBADRM CC(=O)c1cn(C[C@H]2CC(C(=O)[O-])=C(C)O2)c(=O)n(C)c1=O ZINC001589318481 1021209588 /nfs/dbraw/zinc/20/95/88/1021209588.db2.gz GDZFQJQDYJHBPD-SECBINFHSA-N -1 0 308.290 -0.103 20 0 DBADRM CC(=O)c1cccc(O[C@H](C)C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001589311823 1021210008 /nfs/dbraw/zinc/21/00/08/1021210008.db2.gz YNZVUDIAXRVGDY-SNVBAGLBSA-N -1 0 322.317 -0.027 20 0 DBADRM CC(=O)c1cn(CC(=O)NCCSCCC(=O)[O-])nn1 ZINC001589318969 1021210039 /nfs/dbraw/zinc/21/00/39/1021210039.db2.gz UTTSVLLWMSNMRT-UHFFFAOYSA-N -1 0 300.340 -0.195 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001589338092 1021212899 /nfs/dbraw/zinc/21/28/99/1021212899.db2.gz ZTEYUFQCRNQEIT-VQVTYTSYSA-N -1 0 314.310 -0.652 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)n1cccn1 ZINC001589336576 1021213608 /nfs/dbraw/zinc/21/36/08/1021213608.db2.gz JWNGMSLEDDTJPP-DCQANWLSSA-N -1 0 320.349 -0.309 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@H](NC(N)=O)C1 ZINC001589350732 1021216041 /nfs/dbraw/zinc/21/60/41/1021216041.db2.gz SWLRDYSFPPFIQR-KOLCDFICSA-N -1 0 312.370 -0.559 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)Oc1cccnc1C(=O)[O-] ZINC001589337522 1021217015 /nfs/dbraw/zinc/21/70/15/1021217015.db2.gz UHXKEVBANOXJNL-SSDOTTSWSA-N -1 0 302.308 -0.035 20 0 DBADRM C[C@@H](C(=O)N(C)[C@@H](COC1CCC1)C(=O)[O-])S(C)(=O)=O ZINC001589338060 1021218332 /nfs/dbraw/zinc/21/83/32/1021218332.db2.gz YTHSBEIGDNTQTG-WPRPVWTQSA-N -1 0 307.368 -0.100 20 0 DBADRM C[C@H](C(=O)N1CC[C@H]1C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001589357153 1021220107 /nfs/dbraw/zinc/22/01/07/1021220107.db2.gz VYMWNBGMNRFNFL-SCZZXKLOSA-N -1 0 305.352 -0.346 20 0 DBADRM C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001589375394 1021220437 /nfs/dbraw/zinc/22/04/37/1021220437.db2.gz UKFNDVYGAJNAPJ-KXUCPTDWSA-N -1 0 315.370 -0.233 20 0 DBADRM C[C@H](C(=O)NC(=O)NC1CC1)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001589376825 1021222216 /nfs/dbraw/zinc/22/22/16/1021222216.db2.gz ZZMLGKFDOLZYCL-KCJUWKMLSA-N -1 0 313.354 -0.479 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-])n1ccnc1 ZINC001589364528 1021223460 /nfs/dbraw/zinc/22/34/60/1021223460.db2.gz HTTBYDYELAYRAP-UWVGGRQHSA-N -1 0 315.351 -0.456 20 0 DBADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])C1CCOCC1)N1CCN(C)CC1 ZINC001589376344 1021223527 /nfs/dbraw/zinc/22/35/27/1021223527.db2.gz YOSVEMQPGVZZMZ-AAEUAGOBSA-N -1 0 313.398 -0.382 20 0 DBADRM C[C@H](C(=O)N1CC[C@H]1C(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC001589357000 1021225556 /nfs/dbraw/zinc/22/55/56/1021225556.db2.gz UMFHPFZSNSWHBO-BDAKNGLRSA-N -1 0 309.322 -0.075 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CC(=O)N(CCC(F)(F)F)C1 ZINC001589396307 1021226607 /nfs/dbraw/zinc/22/66/07/1021226607.db2.gz CWWBDJIQEUZOLC-SSDOTTSWSA-N -1 0 311.260 -0.370 20 0 DBADRM C[C@@H](C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-])S(C)(=O)=O ZINC001589389302 1021227703 /nfs/dbraw/zinc/22/77/03/1021227703.db2.gz XUKMOCDMPJJWHF-WPRPVWTQSA-N -1 0 300.336 -0.373 20 0 DBADRM C[C@H](C(=O)N[C@H](CC1OCCO1)C(=O)[O-])N1CCSCC1 ZINC001589386449 1021229331 /nfs/dbraw/zinc/22/93/31/1021229331.db2.gz XVJRVMQUYKDYGP-NXEZZACHSA-N -1 0 318.395 -0.244 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1C(=O)[O-] ZINC001589393837 1021232112 /nfs/dbraw/zinc/23/21/12/1021232112.db2.gz WOULMSKNASVZSX-RKDXNWHRSA-N -1 0 309.322 -0.733 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@H](c2ccnc(N)n2)C1 ZINC001589396522 1021233780 /nfs/dbraw/zinc/23/37/80/1021233780.db2.gz GHDJJCYYWWVWGL-ZJUUUORDSA-N -1 0 307.354 -0.173 20 0 DBADRM C[C@H](C(=O)NC[C@H](O)C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC001589413912 1021236147 /nfs/dbraw/zinc/23/61/47/1021236147.db2.gz QZPGASMYTOSGII-KWQFWETISA-N -1 0 315.347 -0.245 20 0 DBADRM C[C@H](C(=O)NCCNc1ncc(C(=O)[O-])cn1)n1cncn1 ZINC001589410244 1021236855 /nfs/dbraw/zinc/23/68/55/1021236855.db2.gz YRHVQEWXVFJLPK-MRVPVSSYSA-N -1 0 305.298 -0.444 20 0 DBADRM CC(C(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1)=C1CCC1 ZINC001589403191 1021236907 /nfs/dbraw/zinc/23/69/07/1021236907.db2.gz BNLHGYAZYASQLM-LLVKDONJSA-N -1 0 320.349 -0.014 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H](C)n1cncn1 ZINC001589422017 1021247888 /nfs/dbraw/zinc/24/78/88/1021247888.db2.gz DOJFLAMTFAKMTD-BDAKNGLRSA-N -1 0 319.325 -0.056 20 0 DBADRM CC(C)(C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)S(=O)(=O)C1CC1 ZINC001589560374 1021257234 /nfs/dbraw/zinc/25/72/34/1021257234.db2.gz ALDGBTVJJVNLFB-IUCAKERBSA-N -1 0 319.379 -0.364 20 0 DBADRM C[C@H](C(=O)OC(C)(C)C)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001589539711 1021257630 /nfs/dbraw/zinc/25/76/30/1021257630.db2.gz FQNJMONWRAXEAK-IUCAKERBSA-N -1 0 314.338 -0.234 20 0 DBADRM C[C@@H](C(=O)OCC(=O)NCC(=O)[O-])N(C)CC(F)(F)F ZINC001589542417 1021257788 /nfs/dbraw/zinc/25/77/88/1021257788.db2.gz AXJMMSXCRXAKAQ-LURJTMIESA-N -1 0 300.233 -0.387 20 0 DBADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CCNC(=O)CO)C1 ZINC001589605106 1021258498 /nfs/dbraw/zinc/25/84/98/1021258498.db2.gz DYFXJISGTVAIJS-SNVBAGLBSA-N -1 0 300.355 -0.166 20 0 DBADRM CC(C)(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])S(=O)(=O)C1CC1 ZINC001589572958 1021259444 /nfs/dbraw/zinc/25/94/44/1021259444.db2.gz ZIPQWCHDTVQCFT-PSASIEDQSA-N -1 0 319.379 -0.052 20 0 DBADRM CC(C)(C(=O)N1CCO[C@@H](CC(=O)[O-])C1)N1CCOCC1 ZINC001589562549 1021260555 /nfs/dbraw/zinc/26/05/55/1021260555.db2.gz FBSZUSAJZBIXKN-NSHDSACASA-N -1 0 300.355 -0.201 20 0 DBADRM CC(C)(C(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1)S(C)(=O)=O ZINC001589567059 1021260695 /nfs/dbraw/zinc/26/06/95/1021260695.db2.gz NHMRFVWJTLLRRL-IUCAKERBSA-N -1 0 307.368 -0.337 20 0 DBADRM CC(C)(C(=O)NCCn1cc(C(=O)[O-])nn1)n1cc(N)cn1 ZINC001589572957 1021261377 /nfs/dbraw/zinc/26/13/77/1021261377.db2.gz ZFJUONYQEYCFPM-UHFFFAOYSA-N -1 0 307.314 -0.694 20 0 DBADRM CC(C)[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CCO1 ZINC001589518913 1021262415 /nfs/dbraw/zinc/26/24/15/1021262415.db2.gz VGHBDJNOPKLOCK-QMMMGPOBSA-N -1 0 321.341 -0.885 20 0 DBADRM CC(C)[C@@H]1C[C@H]1C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001589501382 1021263675 /nfs/dbraw/zinc/26/36/75/1021263675.db2.gz FMNJSIKVIXMWJV-VHSXEESVSA-N -1 0 316.369 -0.101 20 0 DBADRM CC(C)CS(=O)(=O)C=C([O-])n1ncc(-c2nn[nH]n2)c1N ZINC001589651171 1021271362 /nfs/dbraw/zinc/27/13/62/1021271362.db2.gz GUYGHQKTIJGVPA-UHFFFAOYSA-N -1 0 313.343 -0.644 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)NC[C@H]2CCOC2)cn1 ZINC001589660412 1021271818 /nfs/dbraw/zinc/27/18/18/1021271818.db2.gz JUEFKJJTGRIUDD-SECBINFHSA-N -1 0 324.337 -0.206 20 0 DBADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)NC[C@H](O)CO)cc1 ZINC001589632981 1021273100 /nfs/dbraw/zinc/27/31/00/1021273100.db2.gz XKIJFIIONWEPFM-NSHDSACASA-N -1 0 324.333 -0.543 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)CN2C(=O)CCC2=O)cn1 ZINC001589663858 1021275326 /nfs/dbraw/zinc/27/53/26/1021275326.db2.gz PKJYDFIJMPIFQV-UHFFFAOYSA-N -1 0 308.294 -0.210 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001589690511 1021276496 /nfs/dbraw/zinc/27/64/96/1021276496.db2.gz XPXZSCAUQALPAE-UHFFFAOYSA-N -1 0 301.343 -0.754 20 0 DBADRM CC(C)(C)C(=O)N(CCO)CCNc1ccnc(C(=O)[O-])n1 ZINC001589687121 1021276631 /nfs/dbraw/zinc/27/66/31/1021276631.db2.gz RHILFRLKEKUKIB-UHFFFAOYSA-N -1 0 310.354 -0.124 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)NCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001589690293 1021279558 /nfs/dbraw/zinc/27/95/58/1021279558.db2.gz LWFQLZIZLTXZCF-BDAKNGLRSA-N -1 0 313.354 -0.898 20 0 DBADRM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001589690175 1021284094 /nfs/dbraw/zinc/28/40/94/1021284094.db2.gz FWCIFGZSCMEBCE-YUMQZZPRSA-N -1 0 304.368 -0.504 20 0 DBADRM CC(C)(C)[C@H]1CNC(=O)CN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001589735862 1021286289 /nfs/dbraw/zinc/28/62/89/1021286289.db2.gz YANYQFMDZDPUEJ-SNVBAGLBSA-N -1 0 308.338 -0.046 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1cn(CC(=O)[O-])nn1 ZINC001589722645 1021291391 /nfs/dbraw/zinc/29/13/91/1021291391.db2.gz LUNCWHNRCSHAHQ-ONGXEEELSA-N -1 0 300.359 -0.390 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)NCCOCC(=O)[O-] ZINC001589722533 1021292267 /nfs/dbraw/zinc/29/22/67/1021292267.db2.gz IZIJJCDNJYEFQB-ZJUUUORDSA-N -1 0 306.359 -0.455 20 0 DBADRM CC(C)(C)[C@H](O)C[C@H](CO)NCc1cn(CC(=O)[O-])nn1 ZINC001589722644 1021295335 /nfs/dbraw/zinc/29/53/35/1021295335.db2.gz LUNCWHNRCSHAHQ-MWLCHTKSSA-N -1 0 300.359 -0.390 20 0 DBADRM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)NCCOCC(=O)[O-] ZINC001589722530 1021295672 /nfs/dbraw/zinc/29/56/72/1021295672.db2.gz IZIJJCDNJYEFQB-NXEZZACHSA-N -1 0 306.359 -0.455 20 0 DBADRM CC(C)(C)[C@@H](O)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001589721267 1021297983 /nfs/dbraw/zinc/29/79/83/1021297983.db2.gz ZCKQYAQUTWXPRN-XHDPSFHLSA-N -1 0 314.382 -0.219 20 0 DBADRM CC(C)(C)CC(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1 ZINC001589740838 1021301435 /nfs/dbraw/zinc/30/14/35/1021301435.db2.gz LLRYLKJJXYJKBR-VIFPVBQESA-N -1 0 310.354 -0.078 20 0 DBADRM CC(C)n1cc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)nn1 ZINC001589781871 1021301780 /nfs/dbraw/zinc/30/17/80/1021301780.db2.gz KKODFHKRRWOXSY-UHFFFAOYSA-N -1 0 303.286 -0.650 20 0 DBADRM C[C@H](CC(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001589792699 1021302337 /nfs/dbraw/zinc/30/23/37/1021302337.db2.gz ICPPMZZOALPWRN-NXEZZACHSA-N -1 0 320.357 -0.220 20 0 DBADRM CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001589740937 1021303941 /nfs/dbraw/zinc/30/39/41/1021303941.db2.gz SDXXQRMSPRTPGW-ZJUUUORDSA-N -1 0 312.366 -0.167 20 0 DBADRM CC(C)(C)N1CCC[C@@H](C(=O)NCC(=O)NCC(=O)[O-])C1=O ZINC001589818014 1021310910 /nfs/dbraw/zinc/31/09/10/1021310910.db2.gz KMMZJNMQUCNOBI-VIFPVBQESA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001589834878 1021311977 /nfs/dbraw/zinc/31/19/77/1021311977.db2.gz OOHRGSPFPZPXHI-GFCCVEGCSA-N -1 0 322.383 -0.546 20 0 DBADRM CC(C)C(=O)NC[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001589849760 1021323213 /nfs/dbraw/zinc/32/32/13/1021323213.db2.gz LSTAIVOOANOCHV-VIFPVBQESA-N -1 0 304.358 -0.101 20 0 DBADRM CC(C)(C)OC(=O)CCNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001589877689 1021329966 /nfs/dbraw/zinc/32/99/66/1021329966.db2.gz CUZYCYFQHIEVLF-DTORHVGOSA-N -1 0 314.338 -0.186 20 0 DBADRM CC(C)(C)OC(=O)N1CC(C(=O)NC[C@](C)(O)C(=O)[O-])C1 ZINC001589910275 1021332023 /nfs/dbraw/zinc/33/20/23/1021332023.db2.gz ZTFYKRGGHULNEU-ZDUSSCGKSA-N -1 0 302.327 -0.195 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001589891993 1021333899 /nfs/dbraw/zinc/33/38/99/1021333899.db2.gz XCUZMXYDDWLERN-BXKDBHETSA-N -1 0 317.338 -0.219 20 0 DBADRM C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001589928016 1021336042 /nfs/dbraw/zinc/33/60/42/1021336042.db2.gz SPGGMENTAYBZGZ-MRVPVSSYSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1cc[nH]c(=O)c1 ZINC001589928268 1021336432 /nfs/dbraw/zinc/33/64/32/1021336432.db2.gz YKMZCSQCMIYMNA-SSDOTTSWSA-N -1 0 315.297 -0.564 20 0 DBADRM CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)CC(=O)[O-])C1 ZINC001589929445 1021336620 /nfs/dbraw/zinc/33/66/20/1021336620.db2.gz AHLDDEKMDLLVDA-UHFFFAOYSA-N -1 0 302.327 -0.051 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC001589928911 1021338193 /nfs/dbraw/zinc/33/81/93/1021338193.db2.gz MRPRNQBCTAQPIY-VIFPVBQESA-N -1 0 314.338 -0.099 20 0 DBADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)CO)C[C@@H]2C(=O)[O-] ZINC001589947872 1021338910 /nfs/dbraw/zinc/33/89/10/1021338910.db2.gz HMMISQMIVCEIIK-SECBINFHSA-N -1 0 314.338 -0.241 20 0 DBADRM C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1cc[nH]c(=O)c1 ZINC001589928269 1021339238 /nfs/dbraw/zinc/33/92/38/1021339238.db2.gz YKMZCSQCMIYMNA-ZETCQYMHSA-N -1 0 315.297 -0.564 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)c1ncnn1C ZINC001589976686 1021343060 /nfs/dbraw/zinc/34/30/60/1021343060.db2.gz UQEXKCKBSBCCMC-ZCFIWIBFSA-N -1 0 324.326 -0.372 20 0 DBADRM C[C@](O)(CNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1)C(=O)[O-] ZINC001589988789 1021343290 /nfs/dbraw/zinc/34/32/90/1021343290.db2.gz PNBQCNFPJFQLDR-LBPRGKRZSA-N -1 0 324.272 -0.037 20 0 DBADRM C[C@](O)(CNC(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)[O-] ZINC001589988602 1021346289 /nfs/dbraw/zinc/34/62/89/1021346289.db2.gz NAKGRVWHDMJBSO-LBPRGKRZSA-N -1 0 324.272 -0.037 20 0 DBADRM C[C@@](O)(CC(=O)NCCn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001589989126 1021347521 /nfs/dbraw/zinc/34/75/21/1021347521.db2.gz DOGFKKZIBKHGKG-GFCCVEGCSA-N -1 0 306.330 -0.875 20 0 DBADRM C[C@@H](O)CN(C1CC1)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001590000412 1021357332 /nfs/dbraw/zinc/35/73/32/1021357332.db2.gz NCEIMDIMOWGANH-MRVPVSSYSA-N -1 0 324.366 -0.204 20 0 DBADRM C[C@H](O)C[C@H](C)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001589999531 1021358270 /nfs/dbraw/zinc/35/82/70/1021358270.db2.gz WXZYQUVZXHJULE-BQBZGAKWSA-N -1 0 309.330 -0.515 20 0 DBADRM C[C@@H](c1nc(-c2cn(C)nn2)no1)n1cnc(-c2nnn[n-]2)n1 ZINC001590054408 1021372931 /nfs/dbraw/zinc/37/29/31/1021372931.db2.gz SDQWQDKUAOTAIP-YFKPBYRVSA-N -1 0 314.273 -0.754 20 0 DBADRM C[C@H](OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(=O)C1CC1 ZINC001590004396 1021373175 /nfs/dbraw/zinc/37/31/75/1021373175.db2.gz HTKDQPRFKGDJDJ-BQBZGAKWSA-N -1 0 305.298 -0.070 20 0 DBADRM C[C@@H](O)c1cn(C2CN(c3ccnc(-c4nnn[n-]4)n3)C2)nn1 ZINC001590004206 1021374763 /nfs/dbraw/zinc/37/47/63/1021374763.db2.gz SERCTLQCZNDFHI-SSDOTTSWSA-N -1 0 314.313 -0.637 20 0 DBADRM C[C@H](C(=O)O[C@@H](C)C(=O)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001590004401 1021378266 /nfs/dbraw/zinc/37/82/66/1021378266.db2.gz HTKDQPRFKGDJDJ-RQJHMYQMSA-N -1 0 305.298 -0.070 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001590097608 1021382653 /nfs/dbraw/zinc/38/26/53/1021382653.db2.gz KZCCFJWRBQJYGB-AATLWQCWSA-N -1 0 314.338 -0.197 20 0 DBADRM C[C@]1(CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCOC1 ZINC001590130604 1021390729 /nfs/dbraw/zinc/39/07/29/1021390729.db2.gz POPTZNWQUAPBQK-GFCCVEGCSA-N -1 0 321.345 -0.816 20 0 DBADRM C[C@]1(C2CC2)COCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590122253 1021390913 /nfs/dbraw/zinc/39/09/13/1021390913.db2.gz RZJOASBGGBSZHO-CYBMUJFWSA-N -1 0 318.341 -0.514 20 0 DBADRM CC1(C)CO[C@H](CC(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590112665 1021391728 /nfs/dbraw/zinc/39/17/28/1021391728.db2.gz MUXVXKGHMKWULM-SECBINFHSA-N -1 0 320.357 -0.220 20 0 DBADRM CC1(C)OC[C@@H]2C[C@@]21C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590120276 1021392747 /nfs/dbraw/zinc/39/27/47/1021392747.db2.gz WZFSSPVQYQAIRS-SDBXPKJASA-N -1 0 318.341 -0.611 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2sccc2-c2nn[nH]n2)C(=O)N1C ZINC001590164136 1021404486 /nfs/dbraw/zinc/40/44/86/1021404486.db2.gz BHGOUIQWCZXFPX-RXMQYKEDSA-N -1 0 321.322 -0.145 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590164542 1021409868 /nfs/dbraw/zinc/40/98/68/1021409868.db2.gz FUDJMZHTVLLPTG-ZETCQYMHSA-N -1 0 302.294 -0.467 20 0 DBADRM CC(C)(C)OC(=O)NCCOCC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001590202018 1021412688 /nfs/dbraw/zinc/41/26/88/1021412688.db2.gz ZMWQVKLJXZIRNW-CYBMUJFWSA-N -1 0 320.342 -0.521 20 0 DBADRM C[C@@H]1C[C@H](C)CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001590189174 1021425265 /nfs/dbraw/zinc/42/52/65/1021425265.db2.gz HRTVVGKSSBJMSV-OCAPTIKFSA-N -1 0 305.342 -0.264 20 0 DBADRM C[C@@H]1C[C@@H](CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@@H](C)O1 ZINC001590194106 1021425810 /nfs/dbraw/zinc/42/58/10/1021425810.db2.gz PLWFXJUAFYLEEL-PRJMDXOYSA-N -1 0 321.341 -0.109 20 0 DBADRM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590218391 1021427116 /nfs/dbraw/zinc/42/71/16/1021427116.db2.gz KFKGUEOSQWUKOD-KATARQTJSA-N -1 0 302.342 -0.134 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001590215955 1021427948 /nfs/dbraw/zinc/42/79/48/1021427948.db2.gz LMKLVKHKNNNTMK-MUWHJKNJSA-N -1 0 308.323 -0.277 20 0 DBADRM C[C@@H]1C[C@H](NS(=O)(=O)c2cccnc2-c2nnn[n-]2)C(=O)O1 ZINC001590206352 1021428947 /nfs/dbraw/zinc/42/89/47/1021428947.db2.gz INMXOEUPAIAPKB-RQJHMYQMSA-N -1 0 324.322 -0.756 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001590267715 1021432812 /nfs/dbraw/zinc/43/28/12/1021432812.db2.gz LNCXEKHCNJPMLA-JGVFFNPUSA-N -1 0 300.311 -0.443 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCS1 ZINC001590263501 1021433731 /nfs/dbraw/zinc/43/37/31/1021433731.db2.gz IFTKNQXGTIBIPP-QMMMGPOBSA-N -1 0 308.371 -0.188 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590234058 1021439118 /nfs/dbraw/zinc/43/91/18/1021439118.db2.gz QYSKDSKURCVIRH-IUCAKERBSA-N -1 0 305.346 -0.054 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H](C)[C@H]1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001590264061 1021439223 /nfs/dbraw/zinc/43/92/23/1021439223.db2.gz PYDQNLOERLANAH-HRDYMLBCSA-N -1 0 306.330 -0.752 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001590274990 1021441440 /nfs/dbraw/zinc/44/14/40/1021441440.db2.gz WJEQNOSBFGOGCB-IWSPIJDZSA-N -1 0 302.327 -0.291 20 0 DBADRM C[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C[C@@H]1F ZINC001590276248 1021442293 /nfs/dbraw/zinc/44/22/93/1021442293.db2.gz LIDXEGVWKPBHAT-RQJHMYQMSA-N -1 0 309.305 -0.562 20 0 DBADRM C[C@H]1CN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCCO1 ZINC001590291670 1021445819 /nfs/dbraw/zinc/44/58/19/1021445819.db2.gz OJBQFAASPGUGKH-VIFPVBQESA-N -1 0 321.345 -0.721 20 0 DBADRM C[C@H]1Cn2nccc2N(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590291092 1021446085 /nfs/dbraw/zinc/44/60/85/1021446085.db2.gz IAIVBODJBWUUGU-MRVPVSSYSA-N -1 0 314.313 -0.662 20 0 DBADRM CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC001590295869 1021447378 /nfs/dbraw/zinc/44/73/78/1021447378.db2.gz BMCVAWONPWLOCE-CIUDSAMLSA-N -1 0 302.327 -0.149 20 0 DBADRM C/C=C(\C)C(=O)N(C)C[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001514577827 1021452452 /nfs/dbraw/zinc/45/24/52/1021452452.db2.gz SHDPHPLHZTXQRY-WXLQGSQKSA-N -1 0 323.353 -0.285 20 0 DBADRM C[C@H]1[C@@H](C)N(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C[C@H]1C ZINC001590313385 1021453325 /nfs/dbraw/zinc/45/33/25/1021453325.db2.gz PFGUBCGIFWUFBE-BWZBUEFSSA-N -1 0 305.342 -0.266 20 0 DBADRM C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C(C)(C)C1 ZINC001590311997 1021457297 /nfs/dbraw/zinc/45/72/97/1021457297.db2.gz GDUWUFGETVMUMO-ZETCQYMHSA-N -1 0 305.342 -0.122 20 0 DBADRM C[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C[C@H](C)S1 ZINC001590312322 1021457449 /nfs/dbraw/zinc/45/74/49/1021457449.db2.gz HOZWFLMGJFIEIG-BQBZGAKWSA-N -1 0 323.382 -0.416 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590326110 1021460647 /nfs/dbraw/zinc/46/06/47/1021460647.db2.gz ODHBBXPVKDJKJW-VIFPVBQESA-N -1 0 306.326 -0.090 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CSC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590328247 1021463147 /nfs/dbraw/zinc/46/31/47/1021463147.db2.gz FRVYZNOZFZCREC-CSMHCCOUSA-N -1 0 308.371 -0.113 20 0 DBADRM C[C@H]1OC(=O)N[C@@H]1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001590334321 1021463267 /nfs/dbraw/zinc/46/32/67/1021463267.db2.gz JVMAPKVTUMMNBW-MUWHJKNJSA-N -1 0 304.266 -0.226 20 0 DBADRM CN(C[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1(C)CC1 ZINC001514644134 1021463552 /nfs/dbraw/zinc/46/35/52/1021463552.db2.gz RHFMKESEDKMNNI-MRVPVSSYSA-N -1 0 321.337 -0.244 20 0 DBADRM CC(=O)N1CC[C@H]1CN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001514659331 1021469259 /nfs/dbraw/zinc/46/92/59/1021469259.db2.gz BVTKMRSWZBWCPP-VIFPVBQESA-N -1 0 309.326 -0.705 20 0 DBADRM C[C@@H]1SCC[C@@H]1Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001590339748 1021470404 /nfs/dbraw/zinc/47/04/04/1021470404.db2.gz XWWSPTCPLJWMDT-BQBZGAKWSA-N -1 0 323.382 -0.430 20 0 DBADRM C[C@H]1SCC[C@H]1Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001590339753 1021473281 /nfs/dbraw/zinc/47/32/81/1021473281.db2.gz XWWSPTCPLJWMDT-RNFRBKRXSA-N -1 0 323.382 -0.430 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590338058 1021473886 /nfs/dbraw/zinc/47/38/86/1021473886.db2.gz UETQNTTYSIDZFZ-UTINFBMNSA-N -1 0 320.357 -0.366 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590338056 1021474080 /nfs/dbraw/zinc/47/40/80/1021474080.db2.gz UETQNTTYSIDZFZ-RGOKHQFPSA-N -1 0 320.357 -0.366 20 0 DBADRM CC(C)(C)OCCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001590382969 1021476289 /nfs/dbraw/zinc/47/62/89/1021476289.db2.gz VJXXBVMBFLVQBQ-JTQLQIEISA-N -1 0 316.354 -0.380 20 0 DBADRM CCC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590365864 1021479450 /nfs/dbraw/zinc/47/94/50/1021479450.db2.gz USTWSEHIIBDROC-BDAKNGLRSA-N -1 0 318.341 -0.011 20 0 DBADRM CCC(=O)[C@@H]1CCCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590360438 1021482303 /nfs/dbraw/zinc/48/23/03/1021482303.db2.gz ZZTRONOWJMMKPG-VIFPVBQESA-N -1 0 318.341 -0.182 20 0 DBADRM CC[C@@](C)(CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)OC ZINC001590381043 1021482829 /nfs/dbraw/zinc/48/28/29/1021482829.db2.gz HJYGNBKJDQGUAK-LBPRGKRZSA-N -1 0 309.330 -0.107 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001590422341 1021484588 /nfs/dbraw/zinc/48/45/88/1021484588.db2.gz MNOMHMQNBSMLED-VIFPVBQESA-N -1 0 317.367 -0.265 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001590422107 1021485846 /nfs/dbraw/zinc/48/58/46/1021485846.db2.gz FYMZRXVNNXOXRR-GFCCVEGCSA-N -1 0 307.368 -0.050 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001590422658 1021490853 /nfs/dbraw/zinc/49/08/53/1021490853.db2.gz QSAVHISSCFFRMQ-WPRPVWTQSA-N -1 0 307.368 -0.364 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001590422655 1021491277 /nfs/dbraw/zinc/49/12/77/1021491277.db2.gz QSAVHISSCFFRMQ-PSASIEDQSA-N -1 0 307.368 -0.364 20 0 DBADRM CCC1(C(=O)NCCNc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001590488555 1021506008 /nfs/dbraw/zinc/50/60/08/1021506008.db2.gz XLXZNCANPADSQZ-UHFFFAOYSA-N -1 0 302.342 -0.203 20 0 DBADRM CCC1(NC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC1 ZINC001590496987 1021506755 /nfs/dbraw/zinc/50/67/55/1021506755.db2.gz YUGSSGIKFDIXQZ-UHFFFAOYSA-N -1 0 305.298 -0.812 20 0 DBADRM CC[C@@]1(O)CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590499726 1021508768 /nfs/dbraw/zinc/50/87/68/1021508768.db2.gz HDQQSUFAPYUCNO-GFCCVEGCSA-N -1 0 306.330 -0.778 20 0 DBADRM CCC1(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)COC1 ZINC001590492932 1021509020 /nfs/dbraw/zinc/50/90/20/1021509020.db2.gz SFDUNNMPYLNPBU-MRVPVSSYSA-N -1 0 306.330 -0.438 20 0 DBADRM CC[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001590513192 1021510138 /nfs/dbraw/zinc/51/01/38/1021510138.db2.gz OVCMWERKBZJNMC-MRVPVSSYSA-N -1 0 305.342 -0.120 20 0 DBADRM CCC1(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)COC1 ZINC001590492934 1021512298 /nfs/dbraw/zinc/51/22/98/1021512298.db2.gz SFDUNNMPYLNPBU-QMMMGPOBSA-N -1 0 306.330 -0.438 20 0 DBADRM CC[C@@H]1COCCN1C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590526720 1021514903 /nfs/dbraw/zinc/51/49/03/1021514903.db2.gz RZILSNDEDDKOEN-DTWKUNHWSA-N -1 0 306.330 -0.343 20 0 DBADRM CCC[C@H](CCO)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590556772 1021516844 /nfs/dbraw/zinc/51/68/44/1021516844.db2.gz XLYNXXWMIQSDKO-RKDXNWHRSA-N -1 0 308.346 -0.314 20 0 DBADRM CC(C)(C)n1cc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])nn1 ZINC001590587522 1021516954 /nfs/dbraw/zinc/51/69/54/1021516954.db2.gz UGVAIVQAQUZZJW-MRVPVSSYSA-N -1 0 312.326 -0.021 20 0 DBADRM CCC[C@@H](OCC)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590561910 1021518780 /nfs/dbraw/zinc/51/87/80/1021518780.db2.gz KWBPAMBUWSTKQR-SECBINFHSA-N -1 0 308.346 -0.220 20 0 DBADRM CCC[C@H](O)Cn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O ZINC001590559980 1021520215 /nfs/dbraw/zinc/52/02/15/1021520215.db2.gz WRVZAJDZVGMXSZ-VIFPVBQESA-N -1 0 307.310 -0.024 20 0 DBADRM CC[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@@H](C)CO1 ZINC001590519118 1021522141 /nfs/dbraw/zinc/52/21/41/1021522141.db2.gz VXIWLODIPJMTJT-IUCAKERBSA-N -1 0 306.330 -0.516 20 0 DBADRM CC(C)(CNC(=S)NCCNS(C)(=O)=O)CC(=O)[O-] ZINC001590758278 1021569216 /nfs/dbraw/zinc/56/92/16/1021569216.db2.gz ARRNDQKXMAOQTR-UHFFFAOYSA-N -1 0 311.429 -0.499 20 0 DBADRM CCCCc1nc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)no1 ZINC001590614186 1021524033 /nfs/dbraw/zinc/52/40/33/1021524033.db2.gz HZQWOAPLJCYEMD-UHFFFAOYSA-N -1 0 318.297 -0.097 20 0 DBADRM CCCN(CC(=O)OC)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590621273 1021524984 /nfs/dbraw/zinc/52/49/84/1021524984.db2.gz FXXQKZLEAIHCEE-MRVPVSSYSA-N -1 0 322.329 -0.569 20 0 DBADRM CC(C)(CC(=O)[O-])CC(=O)NCCc1nnc2n1CCNC2=O ZINC001590631752 1021527920 /nfs/dbraw/zinc/52/79/20/1021527920.db2.gz BVLJYYPECFDZQY-UHFFFAOYSA-N -1 0 323.353 -0.429 20 0 DBADRM CCCCN(CCO)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590600938 1021528705 /nfs/dbraw/zinc/52/87/05/1021528705.db2.gz DXJQTDNFCLJQJP-VIFPVBQESA-N -1 0 308.346 -0.360 20 0 DBADRM CCCOC(=O)[C@H](C)OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590639715 1021534494 /nfs/dbraw/zinc/53/44/94/1021534494.db2.gz KCIDJPOMLKEHER-SFYZADRCSA-N -1 0 323.313 -0.096 20 0 DBADRM CC(C)(CCNS(=O)(=O)CCN1CCOC1=O)C(=O)[O-] ZINC001590689395 1021542259 /nfs/dbraw/zinc/54/22/59/1021542259.db2.gz DVMLXYPXRSAXFZ-UHFFFAOYSA-N -1 0 308.356 -0.141 20 0 DBADRM CCN(C[C@@H](C)OC)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590680463 1021543001 /nfs/dbraw/zinc/54/30/01/1021543001.db2.gz CTGJQPLIVVBLAD-RKDXNWHRSA-N -1 0 308.346 -0.097 20 0 DBADRM CCN(C[C@H]1CCOC1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590690923 1021544133 /nfs/dbraw/zinc/54/41/33/1021544133.db2.gz MJRZALVOXBLTJG-SECBINFHSA-N -1 0 306.330 -0.657 20 0 DBADRM CCN(CC1CCC1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590691227 1021545563 /nfs/dbraw/zinc/54/55/63/1021545563.db2.gz IYGCUYJBEHCROQ-UHFFFAOYSA-N -1 0 305.342 -0.120 20 0 DBADRM CC(C)(CNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)C1CCCC1 ZINC001590702635 1021550032 /nfs/dbraw/zinc/55/00/32/1021550032.db2.gz NFJJUGGTOLUHFM-UHFFFAOYSA-N -1 0 312.366 -0.023 20 0 DBADRM CC(C)(CNC(=O)N1CCO[C@@H](CC(N)=O)C1)CC(=O)[O-] ZINC001590718360 1021554638 /nfs/dbraw/zinc/55/46/38/1021554638.db2.gz VPTAXYNTTFRLAV-VIFPVBQESA-N -1 0 301.343 -0.227 20 0 DBADRM CCN(CCSC)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590718283 1021554671 /nfs/dbraw/zinc/55/46/71/1021554671.db2.gz DQLFOTVKXUNQBR-UHFFFAOYSA-N -1 0 311.371 -0.557 20 0 DBADRM CC(C)(CNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)CC(=O)[O-] ZINC001590717997 1021557410 /nfs/dbraw/zinc/55/74/10/1021557410.db2.gz FSUDYSUMDCVWJL-QMMMGPOBSA-N -1 0 312.326 -0.567 20 0 DBADRM CCN1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CC1=O ZINC001590728300 1021558002 /nfs/dbraw/zinc/55/80/02/1021558002.db2.gz CEUXRKGALXWTTL-SECBINFHSA-N -1 0 316.321 -0.077 20 0 DBADRM CCNC(=O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590740112 1021562130 /nfs/dbraw/zinc/56/21/30/1021562130.db2.gz DSLLDNUIZLFOLJ-UHFFFAOYSA-N -1 0 304.310 -0.220 20 0 DBADRM CCOC(=O)COCCn1cc(C)cc(-c2nnn[n-]2)c1=O ZINC001590765306 1021574859 /nfs/dbraw/zinc/57/48/59/1021574859.db2.gz GVPXRJDJBSOSDX-UHFFFAOYSA-N -1 0 307.310 -0.083 20 0 DBADRM CC(C)(CNS(=O)(=O)c1cccnc1C(=O)[O-])OCCO ZINC001590771170 1021578876 /nfs/dbraw/zinc/57/88/76/1021578876.db2.gz NVGNFBJGLSWIKY-UHFFFAOYSA-N -1 0 318.351 -0.154 20 0 DBADRM CCO[C@H]1[C@H](C(=O)NCCn2cnc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001590786121 1021583660 /nfs/dbraw/zinc/58/36/60/1021583660.db2.gz CHNCWULZXHANQS-DJLDLDEBSA-N -1 0 306.330 -0.755 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCO[C@]2(CCOC2)C1)C(=O)[O-] ZINC001590797742 1021584203 /nfs/dbraw/zinc/58/42/03/1021584203.db2.gz BVEBTBNODKVZFS-GFCCVEGCSA-N -1 0 307.368 -0.082 20 0 DBADRM CCOCC(=O)NCCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001590799297 1021584829 /nfs/dbraw/zinc/58/48/29/1021584829.db2.gz ZCOHADLOMQDYCK-UHFFFAOYSA-N -1 0 320.357 -0.364 20 0 DBADRM CC(C)(CS(=O)(=O)NC[C@@H]1CCCS1(=O)=O)C(=O)[O-] ZINC001590804582 1021587435 /nfs/dbraw/zinc/58/74/35/1021587435.db2.gz XZSMTKNWMXNEKI-QMMMGPOBSA-N -1 0 313.397 -0.406 20 0 DBADRM CC(C)(CS(=O)(=O)N[C@H](CO)C[C@H]1CCCO1)C(=O)[O-] ZINC001590799313 1021588139 /nfs/dbraw/zinc/58/81/39/1021588139.db2.gz PUTJEEVBAICJDP-VHSXEESVSA-N -1 0 309.384 -0.053 20 0 DBADRM CCOCCO[C@H](C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590814657 1021588301 /nfs/dbraw/zinc/58/83/01/1021588301.db2.gz IWADDLIERQPFMS-SECBINFHSA-N -1 0 324.345 -0.984 20 0 DBADRM CC(C)(CS(=O)(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1)C(=O)[O-] ZINC001590803040 1021589000 /nfs/dbraw/zinc/58/90/00/1021589000.db2.gz IEAFZHUWJZEBPK-BBBLOLIVSA-N -1 0 307.368 -0.180 20 0 DBADRM CCO[N-]C(=O)CN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001590818465 1021594307 /nfs/dbraw/zinc/59/43/07/1021594307.db2.gz AMNKSUZJIVFZPY-NSHDSACASA-N -1 0 319.325 -0.950 20 0 DBADRM CC(C)(NC(=O)C(=O)Nc1cccnc1-n1cncn1)C(=O)[O-] ZINC001590836747 1021594467 /nfs/dbraw/zinc/59/44/67/1021594467.db2.gz XEPKAQQPBZQEMG-UHFFFAOYSA-N -1 0 318.293 -0.420 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ncc(-c2nn[nH]n2)cc1C ZINC001590818722 1021596198 /nfs/dbraw/zinc/59/61/98/1021596198.db2.gz IUCPCJXOHXHQPF-UHFFFAOYSA-N -1 0 305.298 -0.632 20 0 DBADRM CC(C)(F)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001590827118 1021596843 /nfs/dbraw/zinc/59/68/43/1021596843.db2.gz PXNNDRYURUGBPE-BDAKNGLRSA-N -1 0 304.318 -0.608 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)OCc1oncc1C(=O)[O-] ZINC001590880972 1021599719 /nfs/dbraw/zinc/59/97/19/1021599719.db2.gz PPFCJZHXKMLLAZ-UHFFFAOYSA-N -1 0 306.296 -0.256 20 0 DBADRM CC(C)(O)[C@@H]1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1 ZINC001590892696 1021605156 /nfs/dbraw/zinc/60/51/56/1021605156.db2.gz IBQXGOAFOJWDQH-MNOVXSKESA-N -1 0 312.366 -0.071 20 0 DBADRM CCc1cc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)nn1C ZINC001590882532 1021605890 /nfs/dbraw/zinc/60/58/90/1021605890.db2.gz JFGGOQQWXAIFGH-SSDOTTSWSA-N -1 0 316.329 -0.046 20 0 DBADRM CC(C)(O)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001590893078 1021607198 /nfs/dbraw/zinc/60/71/98/1021607198.db2.gz CWFUPVKDFJUKJG-LMLFDSFASA-N -1 0 312.366 -0.121 20 0 DBADRM CC(C)(O)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001590893082 1021607885 /nfs/dbraw/zinc/60/78/85/1021607885.db2.gz CWFUPVKDFJUKJG-YTWAJWBKSA-N -1 0 312.366 -0.121 20 0 DBADRM CCc1nn(Cc2cnn(C)n2)c(=O)c(-c2nnn[n-]2)c1CC ZINC001590929728 1021610266 /nfs/dbraw/zinc/61/02/66/1021610266.db2.gz PNUJRTMXDOLQII-UHFFFAOYSA-N -1 0 315.341 -0.275 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2CC[C@H](C)O2)c1=O ZINC001590950091 1021615519 /nfs/dbraw/zinc/61/55/19/1021615519.db2.gz QKIAANVRSGTBBF-IUCAKERBSA-N -1 0 306.326 -0.223 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)NCCSCCC(=O)[O-] ZINC001590938602 1021615887 /nfs/dbraw/zinc/61/58/87/1021615887.db2.gz GZADXYFRBPXOJN-VIFPVBQESA-N -1 0 306.384 -0.556 20 0 DBADRM CC(C)C(=O)NCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001590940372 1021616106 /nfs/dbraw/zinc/61/61/06/1021616106.db2.gz ZFYYZOHZQQMZAR-UHFFFAOYSA-N -1 0 322.321 -0.393 20 0 DBADRM CC(C)[C@@H](C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)N(C)C ZINC001590957041 1021616483 /nfs/dbraw/zinc/61/64/83/1021616483.db2.gz JJJQSRVDKGJRQS-OUJBWJOFSA-N -1 0 320.411 -0.423 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2ncc(C)cn2)c1=O ZINC001590949943 1021617672 /nfs/dbraw/zinc/61/76/72/1021617672.db2.gz RKSWPSCNWGDLQK-UHFFFAOYSA-N -1 0 314.309 -0.643 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001590939526 1021617843 /nfs/dbraw/zinc/61/78/43/1021617843.db2.gz YNQJNQKAEKVXHG-MNOVXSKESA-N -1 0 312.366 -0.167 20 0 DBADRM CC(C)[C@@](C)(NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C(N)=O ZINC001590969139 1021622196 /nfs/dbraw/zinc/62/21/96/1021622196.db2.gz XXEFENZHWVHCQQ-YMTOWFKASA-N -1 0 313.354 -0.674 20 0 DBADRM CN(C(=O)COc1ccccc1-c1nn[nH]n1)c1nnn[n-]1 ZINC001590983168 1021623655 /nfs/dbraw/zinc/62/36/55/1021623655.db2.gz ZUBAFFQHEPVCMT-UHFFFAOYSA-N -1 0 301.270 -0.578 20 0 DBADRM CN(C(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCOC1 ZINC001590985388 1021624385 /nfs/dbraw/zinc/62/43/85/1021624385.db2.gz MVFPVGILKSHUHD-SECBINFHSA-N -1 0 321.345 -0.721 20 0 DBADRM CN(C)C(=O)Cn1ccc(Nc2ccnc(-c3nnn[n-]3)n2)n1 ZINC001591004111 1021630496 /nfs/dbraw/zinc/63/04/96/1021630496.db2.gz TUADUXMNCBBAJI-UHFFFAOYSA-N -1 0 314.313 -0.893 20 0 DBADRM CN(C)C(=O)Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCCC2 ZINC001591004107 1021632137 /nfs/dbraw/zinc/63/21/37/1021632137.db2.gz SVCMSVJAHZTYHB-UHFFFAOYSA-N -1 0 302.338 -0.005 20 0 DBADRM CN(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC001591022622 1021636129 /nfs/dbraw/zinc/63/61/29/1021636129.db2.gz CZSGWQXFILOPCD-UHFFFAOYSA-N -1 0 302.341 -0.536 20 0 DBADRM CC[C@@H](C)C(=O)NCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001522522343 1021749538 /nfs/dbraw/zinc/74/95/38/1021749538.db2.gz XPONJVIZVWTVDF-MRVPVSSYSA-N -1 0 306.326 -0.690 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCNC(=O)C1CC=CC1 ZINC001522562718 1021784913 /nfs/dbraw/zinc/78/49/13/1021784913.db2.gz CFENGFORRUOYFR-UHFFFAOYSA-N -1 0 321.337 -0.586 20 0 DBADRM C[C@H]1CCC[C@@]1(C)C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001522772912 1021864713 /nfs/dbraw/zinc/86/47/13/1021864713.db2.gz MDVQFPLPPAQYQE-RMLUDKJBSA-N -1 0 323.353 -0.045 20 0 DBADRM C[C@H]1CCC[C@]1(C)C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001522772917 1021865175 /nfs/dbraw/zinc/86/51/75/1021865175.db2.gz MDVQFPLPPAQYQE-RTHLEPHNSA-N -1 0 323.353 -0.045 20 0 DBADRM C[C@@]1(C(=O)NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)C=CCC1 ZINC001522782189 1021866501 /nfs/dbraw/zinc/86/65/01/1021866501.db2.gz JSNHRXZTVAUAMH-CYBMUJFWSA-N -1 0 309.326 -0.722 20 0 DBADRM CC(C)[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001522973691 1021942867 /nfs/dbraw/zinc/94/28/67/1021942867.db2.gz BTICZRIHLLRRMB-DTWKUNHWSA-N -1 0 323.353 -0.189 20 0 DBADRM CC(C)[C@H]1C[C@@H]1C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001522973683 1021944759 /nfs/dbraw/zinc/94/47/59/1021944759.db2.gz BTICZRIHLLRRMB-BDAKNGLRSA-N -1 0 323.353 -0.189 20 0 DBADRM CC/C(C)=C\C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001523045502 1021974036 /nfs/dbraw/zinc/97/40/36/1021974036.db2.gz MHJHPCJLTNHACN-JGAIRUGNSA-N -1 0 321.337 -0.030 20 0 DBADRM CCCC(=O)NC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001523237230 1022027114 /nfs/dbraw/zinc/02/71/14/1022027114.db2.gz PVLOUCRDFCMUCS-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCCNC(=O)C2=COCCO2)c1[O-] ZINC001523349569 1022046310 /nfs/dbraw/zinc/04/63/10/1022046310.db2.gz YECAEYDGGOZFOA-UHFFFAOYSA-N -1 0 324.337 -0.110 20 0 DBADRM O=C(N[C@@H](CNC(=O)C(F)F)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001524302205 1022232081 /nfs/dbraw/zinc/23/20/81/1022232081.db2.gz OKGIJLIZWDXLEB-YFKPBYRVSA-N -1 0 317.252 -0.828 20 0 DBADRM CCC1(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001525562439 1022408655 /nfs/dbraw/zinc/40/86/55/1022408655.db2.gz MBALHTROLJWFPD-DTORHVGOSA-N -1 0 323.353 -0.357 20 0 DBADRM CC/C=C(\C)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001526426821 1022498210 /nfs/dbraw/zinc/49/82/10/1022498210.db2.gz UKZABLXAYSIFAN-IVGLGHLBSA-N -1 0 309.326 -0.126 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@H](C)n2cncn2)c1[O-] ZINC001526506402 1022512909 /nfs/dbraw/zinc/51/29/09/1022512909.db2.gz PBGIIDUHRFZJAT-CBAPKCEASA-N -1 0 321.341 -0.489 20 0 DBADRM COC[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C)c1nnn[n-]1 ZINC001558340115 1023956389 /nfs/dbraw/zinc/95/63/89/1023956389.db2.gz VTWGVYFLEXWTAL-VIFPVBQESA-N -1 0 317.309 -0.091 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCc1nnc2ccccn21 ZINC001558408456 1023960717 /nfs/dbraw/zinc/96/07/17/1023960717.db2.gz OKEWOXVSDKRDIU-UHFFFAOYSA-N -1 0 303.282 -0.909 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccc(N2CCOCC2)cn1 ZINC001562641869 1024020742 /nfs/dbraw/zinc/02/07/42/1024020742.db2.gz QZMNHERTRMYJIW-UHFFFAOYSA-N -1 0 309.326 -0.283 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCc1nnc2n1CCCCC2 ZINC001563578517 1024028408 /nfs/dbraw/zinc/02/84/08/1024028408.db2.gz WMJCMCBTOYLXAE-UHFFFAOYSA-N -1 0 310.358 -0.476 20 0 DBADRM COc1ccc(CNC(=O)C=CC(=O)NCc2nnn[n-]2)cc1 ZINC001565584509 1024061076 /nfs/dbraw/zinc/06/10/76/1024061076.db2.gz YHGPLJVSCJOJRR-SREVYHEPSA-N -1 0 316.321 -0.303 20 0 DBADRM CC(C)(C)OC(=O)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001565640635 1024065069 /nfs/dbraw/zinc/06/50/69/1024065069.db2.gz RGYKSOBZVGVFKW-UHFFFAOYSA-N -1 0 315.330 -0.280 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1nccn1C ZINC001566471177 1024195600 /nfs/dbraw/zinc/19/56/00/1024195600.db2.gz PWUXRACTNNSXHB-UHFFFAOYSA-N -1 0 321.341 -0.732 20 0 DBADRM Cc1cc(CN(C)CCCNC(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001566471342 1024197099 /nfs/dbraw/zinc/19/70/99/1024197099.db2.gz WBLXATWCCNVXCB-UHFFFAOYSA-N -1 0 322.325 -0.169 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)NCCc2n[n-]c(=S)o2)O1 ZINC001567852982 1024834805 /nfs/dbraw/zinc/83/48/05/1024834805.db2.gz QCSBDZAHXRNPDO-SFYZADRCSA-N -1 0 314.367 -0.170 20 0 DBADRM O=C(CCOCC(F)F)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001567874096 1024838096 /nfs/dbraw/zinc/83/80/96/1024838096.db2.gz IJIUHZJXMLMLBU-QMMMGPOBSA-N -1 0 319.312 -0.127 20 0 DBADRM O=Cc1cncc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c1 ZINC001568081512 1024862616 /nfs/dbraw/zinc/86/26/16/1024862616.db2.gz HMHCEDDWXMPAQK-UHFFFAOYSA-N -1 0 302.294 -0.469 20 0 DBADRM C[C@@H](C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)n1cccn1 ZINC001568820351 1025027978 /nfs/dbraw/zinc/02/79/78/1025027978.db2.gz XCLSSNBHWDAORC-ZMWSMAPVSA-N -1 0 305.342 -0.270 20 0 DBADRM Cc1nn(C)cc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001568829144 1025031824 /nfs/dbraw/zinc/03/18/24/1025031824.db2.gz NTOMIOWGDPYKFV-ARJAWSKDSA-N -1 0 305.342 -0.372 20 0 DBADRM CCn1ccnc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001568843088 1025040021 /nfs/dbraw/zinc/04/00/21/1025040021.db2.gz HCBFTVRITQVMQD-ONEGZZNKSA-N -1 0 305.342 -0.198 20 0 DBADRM CCc1nn(C)cc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001568867741 1025057095 /nfs/dbraw/zinc/05/70/95/1025057095.db2.gz YEJMDVXMWHJXER-SNAWJCMRSA-N -1 0 319.369 -0.118 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001568922714 1025084915 /nfs/dbraw/zinc/08/49/15/1025084915.db2.gz BPKDODHDSVTJBR-YEZKRMTDSA-N -1 0 310.358 -0.813 20 0 DBADRM CO[C@@]1(C(=O)[N-]OC2CCN(C)CC2)CCS(=O)(=O)C1 ZINC001568987458 1025109375 /nfs/dbraw/zinc/10/93/75/1025109375.db2.gz OANBYWFCRCSTBT-LBPRGKRZSA-N -1 0 306.384 -0.668 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC001569004194 1025110231 /nfs/dbraw/zinc/11/02/31/1025110231.db2.gz MUGMFISNJFWMSC-LLVKDONJSA-N -1 0 319.277 -0.447 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 ZINC001569004195 1025111335 /nfs/dbraw/zinc/11/13/35/1025111335.db2.gz MUGMFISNJFWMSC-NSHDSACASA-N -1 0 319.277 -0.447 20 0 DBADRM CC(C)(CO)O[N-]C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001569243236 1025183385 /nfs/dbraw/zinc/18/33/85/1025183385.db2.gz HJEPLLZIWKBKJW-MNOVXSKESA-N -1 0 309.322 -0.224 20 0 DBADRM Cc1ccc(-n2cnnc2)c(C(=O)Nn2c(=O)[n-][nH]c2=O)c1 ZINC001569827415 1025374230 /nfs/dbraw/zinc/37/42/30/1025374230.db2.gz NEAXWNUWEKSNDM-UHFFFAOYSA-N -1 0 301.266 -0.038 20 0 DBADRM O=C(NCc1nc2ncccn2n1)c1c[n-]n2c1nccc2=O ZINC001570414776 1025606048 /nfs/dbraw/zinc/60/60/48/1025606048.db2.gz CMPXIZSJTVORAR-UHFFFAOYSA-N -1 0 310.277 -0.610 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@H](CC2OCCO2)C(=O)[O-])CC1=O ZINC001571069115 1025808803 /nfs/dbraw/zinc/80/88/03/1025808803.db2.gz DTFQGZGSHKLTCQ-RKDXNWHRSA-N -1 0 300.311 -0.813 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001571069305 1025809033 /nfs/dbraw/zinc/80/90/33/1025809033.db2.gz JJPQBYVYKRLUFT-KYXWUPHJSA-N -1 0 300.311 -0.321 20 0 DBADRM C[C@@H](CNC(=O)Cc1ccc(C(=O)[O-])nc1)S(C)(=O)=O ZINC001571071936 1025809245 /nfs/dbraw/zinc/80/92/45/1025809245.db2.gz DBPDKBLRTYNNPM-QMMMGPOBSA-N -1 0 300.336 -0.128 20 0 DBADRM CC(C)(O)[C@@H](O)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001571069117 1025809799 /nfs/dbraw/zinc/80/97/99/1025809799.db2.gz DTKQQGPIPXKEPV-VIFPVBQESA-N -1 0 300.311 -0.660 20 0 DBADRM C[C@]1(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CCNC(=O)C1 ZINC001571070329 1025810016 /nfs/dbraw/zinc/81/00/16/1025810016.db2.gz YRZCUIJZNASOSM-SDBXPKJASA-N -1 0 300.311 -0.765 20 0 DBADRM CC(C)C1(O)CN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001571074561 1025810566 /nfs/dbraw/zinc/81/05/66/1025810566.db2.gz NRZRKXLRIGMFGZ-UHFFFAOYSA-N -1 0 301.343 -0.620 20 0 DBADRM O=C([O-])c1cc(N2CCS(=O)(=O)C[C@H]2CCO)ncn1 ZINC001571074388 1025811407 /nfs/dbraw/zinc/81/14/07/1025811407.db2.gz JAECHKNMVPHGQE-MRVPVSSYSA-N -1 0 301.324 -0.839 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)Cc1ccoc1)C(=O)[O-] ZINC001571075011 1025812144 /nfs/dbraw/zinc/81/21/44/1025812144.db2.gz RWLBRHDOZNQCEJ-JOYOIKCWSA-N -1 0 301.320 -0.174 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001571074344 1025811947 /nfs/dbraw/zinc/81/19/47/1025811947.db2.gz HILBCFKRKUJLOH-DOLQZWNJSA-N -1 0 301.295 -0.687 20 0 DBADRM Cn1nnc(C(=O)N2Cc3cc(O)ccc3C[C@@H]2C(=O)[O-])n1 ZINC001571079073 1025812093 /nfs/dbraw/zinc/81/20/93/1025812093.db2.gz BHYKUASBYJKZHD-SNVBAGLBSA-N -1 0 303.278 -0.433 20 0 DBADRM CC(C)OC(=O)CC[C@H](C)NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001571077072 1025812279 /nfs/dbraw/zinc/81/22/79/1025812279.db2.gz SVSPJGJIMCOVPN-VIFPVBQESA-N -1 0 302.327 -0.052 20 0 DBADRM CCOc1ccc(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)cn1 ZINC001571077223 1025812523 /nfs/dbraw/zinc/81/25/23/1025812523.db2.gz XAFOHKDLYJALRW-UHFFFAOYSA-N -1 0 302.308 -0.700 20 0 DBADRM Cc1cnc(CNC(=O)Cn2cccc(C(=O)[O-])c2=O)nc1 ZINC001571076804 1025813550 /nfs/dbraw/zinc/81/35/50/1025813550.db2.gz KXFCPAXDWCFNQU-UHFFFAOYSA-N -1 0 302.290 -0.039 20 0 DBADRM Cn1nccc1S(=O)(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001571079969 1025814356 /nfs/dbraw/zinc/81/43/56/1025814356.db2.gz QYBZDPULGSRSQR-VIFPVBQESA-N -1 0 302.356 -0.943 20 0 DBADRM CS(=O)(=O)N1CCC(n2nnc(CCC(=O)[O-])n2)CC1 ZINC001571079520 1025814568 /nfs/dbraw/zinc/81/45/68/1025814568.db2.gz HBRSDWRFIABYLG-UHFFFAOYSA-N -1 0 303.344 -0.713 20 0 DBADRM CN(C(=O)c1cc(C(=O)[O-])on1)N1CCS(=O)(=O)CC1 ZINC001571080139 1025814986 /nfs/dbraw/zinc/81/49/86/1025814986.db2.gz MVAULFSMIWKWOG-UHFFFAOYSA-N -1 0 303.296 -0.910 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@@H]2CCCN2C)c1C(=O)[O-] ZINC001571080358 1025815586 /nfs/dbraw/zinc/81/55/86/1025815586.db2.gz VINOYJJEIXXPII-QMMMGPOBSA-N -1 0 302.356 -0.211 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(Cc2oncc2C(=O)[O-])C1 ZINC001571079308 1025815697 /nfs/dbraw/zinc/81/56/97/1025815697.db2.gz DGBUGBIYLJHREA-QMMMGPOBSA-N -1 0 303.340 -0.256 20 0 DBADRM C[C@@H](O)CN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)[C@@H](C)CO ZINC001571081024 1025817383 /nfs/dbraw/zinc/81/73/83/1025817383.db2.gz AIDXXMGGWYBLCL-WHOHXGKFSA-N -1 0 303.355 -0.154 20 0 DBADRM Cc1nnsc1CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571080822 1025816798 /nfs/dbraw/zinc/81/67/98/1025816798.db2.gz WBVFVTBVBSHIJL-UHFFFAOYSA-N -1 0 303.325 -0.254 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccc(Cn2cncn2)cc1)C(=O)[O-] ZINC001571084377 1025816833 /nfs/dbraw/zinc/81/68/33/1025816833.db2.gz BINRMKLOUJOZEB-SKDRFNHKSA-N -1 0 304.306 -0.110 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)c1cccc(-n2cnnn2)c1 ZINC001571080472 1025816839 /nfs/dbraw/zinc/81/68/39/1025816839.db2.gz WUUBXAKCZPVDKG-GSJFWJNXSA-N -1 0 303.278 -0.630 20 0 DBADRM CCc1nc2c(nccc2C(=O)NCC(=O)NCC(=O)[O-])[nH]1 ZINC001571084269 1025816886 /nfs/dbraw/zinc/81/68/86/1025816886.db2.gz HUBYCCZBHDOYNO-UHFFFAOYSA-N -1 0 305.294 -0.549 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)c1occc1C(=O)[O-] ZINC001571084256 1025816956 /nfs/dbraw/zinc/81/69/56/1025816956.db2.gz HLAVHCJDRYHOKT-RDDDGLTNSA-N -1 0 305.308 -0.204 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1 ZINC001571080627 1025817007 /nfs/dbraw/zinc/81/70/07/1025817007.db2.gz UANRESUCEQRRDQ-IVZWLZJFSA-N -1 0 303.311 -0.751 20 0 DBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001571084565 1025817018 /nfs/dbraw/zinc/81/70/18/1025817018.db2.gz LCOGDUDVWXWYBJ-ANLVUFKYSA-N -1 0 305.308 -0.445 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1c[nH]nc1-c1ccccn1 ZINC001571080563 1025817136 /nfs/dbraw/zinc/81/71/36/1025817136.db2.gz YBLKINXGBBHRGX-UHFFFAOYSA-N -1 0 303.278 -0.598 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cccc3n[nH]nc32)CC1=O ZINC001571080652 1025817158 /nfs/dbraw/zinc/81/71/58/1025817158.db2.gz ZJXPICQBKCAAAK-VIFPVBQESA-N -1 0 303.278 -0.675 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccc2nc[nH]c(=O)c21 ZINC001571084410 1025817279 /nfs/dbraw/zinc/81/72/79/1025817279.db2.gz CUMANHOGJVUZSQ-UHFFFAOYSA-N -1 0 304.262 -0.734 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001571085487 1025818404 /nfs/dbraw/zinc/81/84/04/1025818404.db2.gz PWMQFTARQPSXAY-SVWIBVJCSA-N -1 0 304.324 -0.227 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cc1ccc(S(C)(=O)=O)o1 ZINC001571084886 1025818792 /nfs/dbraw/zinc/81/87/92/1025818792.db2.gz QGKPZXIMMGECSR-UHFFFAOYSA-N -1 0 305.308 -0.257 20 0 DBADRM Cn1cc(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)n(C)c1=O ZINC001571084961 1025818900 /nfs/dbraw/zinc/81/89/00/1025818900.db2.gz RZNOCQZNNYEKNU-UHFFFAOYSA-N -1 0 305.294 -0.615 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)N1CC(NC(=O)[O-])C1)c2=O ZINC001571085202 1025819066 /nfs/dbraw/zinc/81/90/66/1025819066.db2.gz VXCCQAGHMHPJOC-UHFFFAOYSA-N -1 0 305.294 -0.636 20 0 DBADRM O=C(CCc1nc2cccnc2[nH]1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001571085489 1025819241 /nfs/dbraw/zinc/81/92/41/1025819241.db2.gz PXFRKBACEFVQFF-XZWHAEGMSA-N -1 0 304.306 -0.015 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)[O-] ZINC001571085338 1025819409 /nfs/dbraw/zinc/81/94/09/1025819409.db2.gz ZPVDNYXSXCIIKF-XCBNKYQSSA-N -1 0 305.290 -0.503 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)NCc3cccnn3)C2)C1 ZINC001571085280 1025819566 /nfs/dbraw/zinc/81/95/66/1025819566.db2.gz YNJIMBHZFSMJRZ-ZDUSSCGKSA-N -1 0 305.294 -0.008 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)c1cc(C(=O)[O-])on1 ZINC001571084608 1025819584 /nfs/dbraw/zinc/81/95/84/1025819584.db2.gz MVOOSYYHGZVSLG-UHFFFAOYSA-N -1 0 305.312 -0.570 20 0 DBADRM Cc1nn(CC(=O)Nc2cnc(C)c(C(=O)[O-])c2)c(=O)n1C ZINC001571085204 1025819688 /nfs/dbraw/zinc/81/96/88/1025819688.db2.gz VZYOSKZHOFFBLL-UHFFFAOYSA-N -1 0 305.294 -0.069 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnco3)C[C@H]21 ZINC001571084585 1025819715 /nfs/dbraw/zinc/81/97/15/1025819715.db2.gz LTQZEJZBHZFFOJ-KSFAHDSMSA-N -1 0 305.290 -0.418 20 0 DBADRM Cn1nc(C2CC2)cc1CNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001571085402 1025819747 /nfs/dbraw/zinc/81/97/47/1025819747.db2.gz OPQKQFXDNGSBHY-UHFFFAOYSA-N -1 0 304.310 -0.096 20 0 DBADRM CN1N=C(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)CCC1=O ZINC001571085156 1025819862 /nfs/dbraw/zinc/81/98/62/1025819862.db2.gz UOAUAHAWDUQROD-UHFFFAOYSA-N -1 0 305.294 -0.358 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001571085727 1025819918 /nfs/dbraw/zinc/81/99/18/1025819918.db2.gz CVVNVIBRCVLBBM-UTINFBMNSA-N -1 0 304.368 -0.316 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccn(CCn3cccn3)n2)C1 ZINC001571084822 1025819930 /nfs/dbraw/zinc/81/99/30/1025819930.db2.gz OUNYYTVTUUGLIT-UHFFFAOYSA-N -1 0 305.294 -0.949 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001571086758 1025820701 /nfs/dbraw/zinc/82/07/01/1025820701.db2.gz WEBVEJLUGHGVKO-UHFFFAOYSA-N -1 0 304.328 -0.662 20 0 DBADRM Cn1cc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])c(C2CC2)n1 ZINC001571086084 1025821308 /nfs/dbraw/zinc/82/13/08/1025821308.db2.gz WNLDDNYIWJEBMW-SNVBAGLBSA-N -1 0 304.310 -0.228 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccsc1 ZINC001571086338 1025821448 /nfs/dbraw/zinc/82/14/48/1025821448.db2.gz KIZJCSMVRWJFGC-YUMQZZPRSA-N -1 0 304.349 -0.318 20 0 DBADRM O=C([O-])[C@@H](CC(F)F)NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001571085804 1025821465 /nfs/dbraw/zinc/82/14/65/1025821465.db2.gz TYNGSFWJDRAHIA-PHDIDXHHSA-N -1 0 304.253 -0.229 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001571086331 1025821754 /nfs/dbraw/zinc/82/17/54/1025821754.db2.gz JSAADQONFSFLGH-ZCFIWIBFSA-N -1 0 304.328 -0.327 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@H](O)C1CCC1)C(=O)[O-] ZINC001571087542 1025822477 /nfs/dbraw/zinc/82/24/77/1025822477.db2.gz DJAJULMZKPAUDY-YGOYTEALSA-N -1 0 305.352 -0.849 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCS1(=O)=O ZINC001571087551 1025822628 /nfs/dbraw/zinc/82/26/28/1025822628.db2.gz DTKIQJYUIFWJTG-RGOKHQFPSA-N -1 0 305.352 -0.300 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CCN1CCOC1=O ZINC001571091248 1025823068 /nfs/dbraw/zinc/82/30/68/1025823068.db2.gz CCPGZJZTGGVQJY-DTWKUNHWSA-N -1 0 306.340 -0.437 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(C(C)(C)C)n1 ZINC001571087675 1025823241 /nfs/dbraw/zinc/82/32/41/1025823241.db2.gz JNDHHQGPOKPOGZ-ZETCQYMHSA-N -1 0 305.356 -0.559 20 0 DBADRM O=C([O-])c1cnc(CNC(=O)[C@H]2CCS(=O)(=O)N2)s1 ZINC001571087749 1025823605 /nfs/dbraw/zinc/82/36/05/1025823605.db2.gz LYRUKRDNZUHTQX-RXMQYKEDSA-N -1 0 305.337 -0.851 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)[C@H]2C[C@H]21 ZINC001571091383 1025824325 /nfs/dbraw/zinc/82/43/25/1025824325.db2.gz DXXJFVQBJBRULO-LRPJSKTQSA-N -1 0 306.322 -0.229 20 0 DBADRM CCOC(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)CC(=O)[O-] ZINC001571091887 1025824604 /nfs/dbraw/zinc/82/46/04/1025824604.db2.gz LHEBLUCYPIOJKR-HTQZYQBOSA-N -1 0 306.340 -0.530 20 0 DBADRM O=C([O-])COc1ccc(C(=O)NCc2nc(CO)n[nH]2)cc1 ZINC001571091764 1025825261 /nfs/dbraw/zinc/82/52/61/1025825261.db2.gz JEVGLVICHLGKBM-UHFFFAOYSA-N -1 0 306.278 -0.310 20 0 DBADRM CNc1ncccc1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001571092088 1025825469 /nfs/dbraw/zinc/82/54/69/1025825469.db2.gz ODNXOOWVFYILGX-JTQLQIEISA-N -1 0 306.322 -0.071 20 0 DBADRM CN(C(C)(C)C(N)=O)S(=O)(=O)c1scnc1C(=O)[O-] ZINC001571095747 1025826259 /nfs/dbraw/zinc/82/62/59/1025826259.db2.gz AOGJTGDWROYMIQ-UHFFFAOYSA-N -1 0 307.353 -0.274 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC001571096125 1025826473 /nfs/dbraw/zinc/82/64/73/1025826473.db2.gz JZQCLCDPVMSJOW-LLVKDONJSA-N -1 0 307.306 -0.507 20 0 DBADRM Cc1nccc(NC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])n1 ZINC001571095962 1025826957 /nfs/dbraw/zinc/82/69/57/1025826957.db2.gz GYCKWTLBKYPORG-SECBINFHSA-N -1 0 307.310 -0.018 20 0 DBADRM CN1C[C@H](C(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])NC1=O ZINC001571097310 1025828256 /nfs/dbraw/zinc/82/82/56/1025828256.db2.gz ZIILPOPPOXJCDA-NXEZZACHSA-N -1 0 307.306 -0.472 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)c[nH]1 ZINC001571097284 1025828272 /nfs/dbraw/zinc/82/82/72/1025828272.db2.gz YKECEQHOOKZSFP-WDEREUQCSA-N -1 0 307.306 -0.168 20 0 DBADRM COC[C@H]1COCCN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001571096511 1025828418 /nfs/dbraw/zinc/82/84/18/1025828418.db2.gz LVKMSJCSDXPQJA-VWYCJHECSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-])[C@@H](C)S(C)(=O)=O ZINC001571096568 1025828623 /nfs/dbraw/zinc/82/86/23/1025828623.db2.gz NULACWSTHVDSFM-QCLAVDOMSA-N -1 0 307.368 -0.508 20 0 DBADRM CN1C[C@@H](C(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])NC1=O ZINC001571097313 1025828708 /nfs/dbraw/zinc/82/87/08/1025828708.db2.gz ZIILPOPPOXJCDA-ZJUUUORDSA-N -1 0 307.306 -0.472 20 0 DBADRM CC(=O)N1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])nn2)C1 ZINC001571096996 1025829035 /nfs/dbraw/zinc/82/90/35/1025829035.db2.gz VICOTFVCEVAQGC-WDEREUQCSA-N -1 0 307.310 -0.982 20 0 DBADRM C[C@H](C(=O)N[C@]1(CC(=O)[O-])CCOC1)[C@@H](C)S(C)(=O)=O ZINC001571096528 1025829046 /nfs/dbraw/zinc/82/90/46/1025829046.db2.gz MMETWHFMJDYTRH-SBMIAAHKSA-N -1 0 307.368 -0.194 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCO[C@@H](CCF)C2)n[nH]1 ZINC001571096645 1025829177 /nfs/dbraw/zinc/82/91/77/1025829177.db2.gz PPSJROJTYUMUNU-ZETCQYMHSA-N -1 0 307.303 -0.143 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](O)c2cccnc2)C[C@H]1C(=O)[O-] ZINC001571098434 1025829888 /nfs/dbraw/zinc/82/98/88/1025829888.db2.gz SLVSWFSVXPCHSX-MXWKQRLJSA-N -1 0 308.290 -0.553 20 0 DBADRM CN1CCN(S(=O)(=O)N[C@H](CC(C)(C)C)C(=O)[O-])CC1 ZINC001571098209 1025830230 /nfs/dbraw/zinc/83/02/30/1025830230.db2.gz OHAMTIPQILVTQI-SNVBAGLBSA-N -1 0 307.416 -0.042 20 0 DBADRM Cn1cnc(CCNC(=O)COCc2ocnc2C(=O)[O-])c1 ZINC001571098374 1025830591 /nfs/dbraw/zinc/83/05/91/1025830591.db2.gz RHRRHNPPWPCZDJ-UHFFFAOYSA-N -1 0 308.294 -0.018 20 0 DBADRM COC(=O)c1cn(C2CN(C(=O)[C@H]3C[C@@H](C(=O)[O-])C3)C2)nn1 ZINC001571098438 1025830754 /nfs/dbraw/zinc/83/07/54/1025830754.db2.gz SPVFBTGGTHEHHE-OCAPTIKFSA-N -1 0 308.294 -0.441 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001571098172 1025830765 /nfs/dbraw/zinc/83/07/65/1025830765.db2.gz NUCSIDNBKDJWIE-UHFFFAOYSA-N -1 0 308.294 -0.721 20 0 DBADRM C[C@H](NC(=O)[C@H](C)Nc1nc2c(cnn2C)c(=O)[nH]1)C(=O)[O-] ZINC001571097616 1025830848 /nfs/dbraw/zinc/83/08/48/1025830848.db2.gz BEXCTICOGXFPLE-WDSKDSINSA-N -1 0 308.298 -0.541 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2c[nH]cc(C)c2=O)C[C@@H]1C(=O)[O-] ZINC001571098081 1025831345 /nfs/dbraw/zinc/83/13/45/1025831345.db2.gz LUDGXLVSCMVKMY-VHSXEESVSA-N -1 0 308.290 -0.371 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)[C@]2(F)CCS(=O)(=O)C2)CCOC1 ZINC001571101193 1025831969 /nfs/dbraw/zinc/83/19/69/1025831969.db2.gz WMNATCCLVYAEPB-QWRGUYRKSA-N -1 0 309.315 -0.879 20 0 DBADRM Cc1ccnn1CC(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-] ZINC001571101317 1025832145 /nfs/dbraw/zinc/83/21/45/1025832145.db2.gz YPLXHXBUFGKZIW-UHFFFAOYSA-N -1 0 309.282 -0.377 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ncc(OC)cn2)C[C@@H]1C(=O)[O-] ZINC001571100534 1025832323 /nfs/dbraw/zinc/83/23/23/1025832323.db2.gz KEAYYLFQIFUODD-IUCAKERBSA-N -1 0 309.278 -0.569 20 0 DBADRM Cc1cc(C(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])n(C)n1 ZINC001571100602 1025832612 /nfs/dbraw/zinc/83/26/12/1025832612.db2.gz MJLBTQDRDYQAQR-UHFFFAOYSA-N -1 0 309.282 -0.227 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@@H](C(=O)[O-])O1 ZINC001571101500 1025833079 /nfs/dbraw/zinc/83/30/79/1025833079.db2.gz CSAXXFCCWRFWPF-AEJSXWLSSA-N -1 0 309.326 -0.674 20 0 DBADRM Cc1cc(CNC(=O)CN2CCC(=O)NC2=O)oc1C(=O)[O-] ZINC001571100286 1025833180 /nfs/dbraw/zinc/83/31/80/1025833180.db2.gz DGKQHPAALVUHBR-UHFFFAOYSA-N -1 0 309.278 -0.156 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(Cc3ccno3)CC2)O1 ZINC001571102736 1025833779 /nfs/dbraw/zinc/83/37/79/1025833779.db2.gz QNFACIXUVWUTSH-NEPJUHHUSA-N -1 0 309.322 -0.049 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)C2=CCOCC2)C1 ZINC001571103253 1025834257 /nfs/dbraw/zinc/83/42/57/1025834257.db2.gz UPLPLLCFVBLJTO-KXNHARMFSA-N -1 0 308.334 -0.183 20 0 DBADRM CC[C@@H](NC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21)C(N)=O ZINC001571102614 1025834297 /nfs/dbraw/zinc/83/42/97/1025834297.db2.gz ORZKYIIHYSPSHA-SFYZADRCSA-N -1 0 309.326 -0.021 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1)C(=O)[O-] ZINC001571103136 1025834438 /nfs/dbraw/zinc/83/44/38/1025834438.db2.gz XFZYGRGEXVXLIQ-ZJUUUORDSA-N -1 0 309.326 -0.858 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)C2=CCOCC2)C1 ZINC001571103256 1025834580 /nfs/dbraw/zinc/83/45/80/1025834580.db2.gz UPLPLLCFVBLJTO-WHOHXGKFSA-N -1 0 308.334 -0.183 20 0 DBADRM Cc1c(CC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cnn1C ZINC001571103238 1025834643 /nfs/dbraw/zinc/83/46/43/1025834643.db2.gz UOICDRDDVJYNSA-LLVKDONJSA-N -1 0 308.338 -0.537 20 0 DBADRM CCOC(=O)CCS(=O)(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001571103187 1025834928 /nfs/dbraw/zinc/83/49/28/1025834928.db2.gz YAVXMEUSPCKYOC-NSHDSACASA-N -1 0 309.340 -0.650 20 0 DBADRM CCn1nc(C)c(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])n1 ZINC001571102304 1025835028 /nfs/dbraw/zinc/83/50/28/1025835028.db2.gz MENZLKANBBEWMN-VIFPVBQESA-N -1 0 309.326 -0.588 20 0 DBADRM NS(=O)(=O)CCCC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001571103502 1025835750 /nfs/dbraw/zinc/83/57/50/1025835750.db2.gz YALZXVLYEWPNMW-UHFFFAOYSA-N -1 0 308.356 -0.947 20 0 DBADRM CC(C)OCC[C@@H](O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001571106671 1025836288 /nfs/dbraw/zinc/83/62/88/1025836288.db2.gz QGGPGWPPVKZCFG-GHMZBOCLSA-N -1 0 309.384 -0.654 20 0 DBADRM CC(C)OCC[C@@H](O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001571106673 1025836418 /nfs/dbraw/zinc/83/64/18/1025836418.db2.gz QGGPGWPPVKZCFG-MNOVXSKESA-N -1 0 309.384 -0.654 20 0 DBADRM CC1(Cn2cc(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])nn2)COC1 ZINC001571106635 1025836803 /nfs/dbraw/zinc/83/68/03/1025836803.db2.gz SZGCHCPTWVBRNP-WCBMZHEXSA-N -1 0 310.310 -0.714 20 0 DBADRM CC(C)COC[C@@H](O)CNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001571106489 1025836909 /nfs/dbraw/zinc/83/69/09/1025836909.db2.gz MTKWOEIWQRPPEV-JTQLQIEISA-N -1 0 309.384 -0.053 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C1=C2CCCN=C2NN1 ZINC001571106425 1025836988 /nfs/dbraw/zinc/83/69/88/1025836988.db2.gz OWZZIWNJLXPXTP-MRVPVSSYSA-N -1 0 310.310 -0.937 20 0 DBADRM C[C@](O)(CNC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2O)C(=O)[O-] ZINC001571105988 1025837070 /nfs/dbraw/zinc/83/70/70/1025837070.db2.gz CSVAIONDPHLXQS-HZMBPMFUSA-N -1 0 310.306 -0.278 20 0 DBADRM CNC(=O)N[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])nn2C)C1 ZINC001571106613 1025837099 /nfs/dbraw/zinc/83/70/99/1025837099.db2.gz SPZHQEBEOFGISO-ZETCQYMHSA-N -1 0 310.314 -0.347 20 0 DBADRM O=C([O-])C(F)(F)CNS(=O)(=O)c1cnn2c1OCCC2 ZINC001571107703 1025837602 /nfs/dbraw/zinc/83/76/02/1025837602.db2.gz FNIJOEMQYJRDLE-UHFFFAOYSA-N -1 0 311.266 -0.336 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1COC[C@H]1O ZINC001571106684 1025837624 /nfs/dbraw/zinc/83/76/24/1025837624.db2.gz URLCIQHOSDXBGP-JVUFJMBOSA-N -1 0 310.310 -0.525 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001571106707 1025837762 /nfs/dbraw/zinc/83/77/62/1025837762.db2.gz VCIBJIJNCVLOCD-JGVFFNPUSA-N -1 0 310.310 -0.734 20 0 DBADRM COC(=O)COCC(=O)N[C@H](Cc1ccccc1O)C(=O)[O-] ZINC001571108138 1025837921 /nfs/dbraw/zinc/83/79/21/1025837921.db2.gz KDLBGLOVRDXHSP-SNVBAGLBSA-N -1 0 311.290 -0.306 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)NCc2nnc3n2CCOC3)C1 ZINC001571106896 1025838014 /nfs/dbraw/zinc/83/80/14/1025838014.db2.gz WUDALICPPWRMSS-QMMMGPOBSA-N -1 0 310.314 -0.640 20 0 DBADRM COc1cc(OC)nc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC001571107775 1025838357 /nfs/dbraw/zinc/83/83/57/1025838357.db2.gz GKLBDMMVNYDZGT-MRVPVSSYSA-N -1 0 311.294 -0.191 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)C[C@H](C)O1 ZINC001571108525 1025838628 /nfs/dbraw/zinc/83/86/28/1025838628.db2.gz VFQRAFRCLFXBAR-WPRPVWTQSA-N -1 0 311.294 -0.630 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001571108353 1025838940 /nfs/dbraw/zinc/83/89/40/1025838940.db2.gz PPCOXFBLXXRXCY-JUWDTYFHSA-N -1 0 311.269 -0.504 20 0 DBADRM CC(C)(C)n1nnc(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)n1 ZINC001571110993 1025839236 /nfs/dbraw/zinc/83/92/36/1025839236.db2.gz BKLNWZSGYWJSJE-RKDXNWHRSA-N -1 0 311.342 -0.105 20 0 DBADRM COc1cc(NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])ncn1 ZINC001571110956 1025839383 /nfs/dbraw/zinc/83/93/83/1025839383.db2.gz ASCVCHNNKSLYSJ-BQBZGAKWSA-N -1 0 311.298 -0.416 20 0 DBADRM CC(C)(C)n1nnc(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)n1 ZINC001571110990 1025839744 /nfs/dbraw/zinc/83/97/44/1025839744.db2.gz BKLNWZSGYWJSJE-BDAKNGLRSA-N -1 0 311.342 -0.105 20 0 DBADRM CNc1ncc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])s1 ZINC001571111883 1025840102 /nfs/dbraw/zinc/84/01/02/1025840102.db2.gz GAQADHPQUSQKIS-SSDOTTSWSA-N -1 0 312.351 -0.010 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCC(F)(F)C(=O)[O-])c[nH]1 ZINC001571111903 1025839899 /nfs/dbraw/zinc/83/98/99/1025839899.db2.gz GKNDMMZLCAMUCF-UHFFFAOYSA-N -1 0 312.250 -0.201 20 0 DBADRM CCn1nc(C)c(CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])n1 ZINC001571111249 1025840403 /nfs/dbraw/zinc/84/04/03/1025840403.db2.gz HYTXVCNMCQMKRN-MWLCHTKSSA-N -1 0 311.342 -0.105 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001571111920 1025840437 /nfs/dbraw/zinc/84/04/37/1025840437.db2.gz GSFFDQCXHKGWAW-OQPBUACISA-N -1 0 312.326 -0.345 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)CCN1CCCC1=O ZINC001571111474 1025840675 /nfs/dbraw/zinc/84/06/75/1025840675.db2.gz LSUCRMRMQQAQBZ-JTQLQIEISA-N -1 0 311.338 -0.809 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001571112341 1025841168 /nfs/dbraw/zinc/84/11/68/1025841168.db2.gz LGAZJZARSDDVDV-SFYZADRCSA-N -1 0 312.278 -0.043 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)O1 ZINC001571112733 1025841302 /nfs/dbraw/zinc/84/13/02/1025841302.db2.gz QXNHYZADQOYZQI-VLEAKVRGSA-N -1 0 312.322 -0.875 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@]1(CO)COCCN1 ZINC001571112387 1025841450 /nfs/dbraw/zinc/84/14/50/1025841450.db2.gz LZHMEBPCSLCEMU-AWEZNQCLSA-N -1 0 312.322 -0.704 20 0 DBADRM CCC1(Cn2cc(C(=O)NCC[C@H](O)C(=O)[O-])nn2)COC1 ZINC001571112813 1025841524 /nfs/dbraw/zinc/84/15/24/1025841524.db2.gz SOKDQUCPDHXAHB-JTQLQIEISA-N -1 0 312.326 -0.730 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-] ZINC001571112919 1025841824 /nfs/dbraw/zinc/84/18/24/1025841824.db2.gz TXXOPDVVVCWZPC-ZCFIWIBFSA-N -1 0 312.282 -0.962 20 0 DBADRM CNC(=O)Cc1noc(CN2C[C@@H](OC)C[C@]2(C)C(=O)[O-])n1 ZINC001571113195 1025842021 /nfs/dbraw/zinc/84/20/21/1025842021.db2.gz XCLFGPZEWDGADU-ISVAXAHUSA-N -1 0 312.326 -0.578 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 ZINC001571112239 1025842535 /nfs/dbraw/zinc/84/25/35/1025842535.db2.gz ARUZTILTPXOSJT-MRVPVSSYSA-N -1 0 311.381 -0.795 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001571116884 1025843311 /nfs/dbraw/zinc/84/33/11/1025843311.db2.gz OGNOQUHPXTURAH-NXEZZACHSA-N -1 0 313.354 -0.532 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@]12C[C@H]1COC2(C)C)C(=O)[O-] ZINC001571116938 1025843616 /nfs/dbraw/zinc/84/36/16/1025843616.db2.gz PCCULTVLWARVST-OSGJSWLFSA-N -1 0 313.354 -0.169 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])ccn1 ZINC001571118617 1025843628 /nfs/dbraw/zinc/84/36/28/1025843628.db2.gz IACZAXRXUXTAJA-BDAKNGLRSA-N -1 0 313.335 -0.288 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NCC1(C(=O)[O-])CC1 ZINC001571116929 1025843726 /nfs/dbraw/zinc/84/37/26/1025843726.db2.gz OYFALGZXAFZHIU-VIFPVBQESA-N -1 0 313.354 -0.626 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])o1 ZINC001571118199 1025843948 /nfs/dbraw/zinc/84/39/48/1025843948.db2.gz AIAGLZRLVHOJLF-ACZMJKKPSA-N -1 0 313.314 -0.284 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NCC[C@H]2CNC(=O)C2)c1 ZINC001571118255 1025844050 /nfs/dbraw/zinc/84/40/50/1025844050.db2.gz BWMCMGPCDXJVHI-MRVPVSSYSA-N -1 0 313.335 -0.416 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN3C(=O)CC[C@@H]3C2)n[nH]1 ZINC001571120270 1025845071 /nfs/dbraw/zinc/84/50/71/1025845071.db2.gz RNLABDWAPYBGFO-SSDOTTSWSA-N -1 0 314.323 -0.897 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)c3ccncn3)C2)n1 ZINC001571119973 1025845384 /nfs/dbraw/zinc/84/53/84/1025845384.db2.gz OASQINDGZLYSGS-VIFPVBQESA-N -1 0 314.305 -0.287 20 0 DBADRM CC(=O)N[C@H]1CCN(S(=O)(=O)c2cccnc2C(=O)[O-])C1 ZINC001571118929 1025846156 /nfs/dbraw/zinc/84/61/56/1025846156.db2.gz MXYDUQIELYSIOJ-VIFPVBQESA-N -1 0 313.335 -0.321 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3cc(C(=O)[O-])ncn3)C[C@H]21 ZINC001571119071 1025846452 /nfs/dbraw/zinc/84/64/52/1025846452.db2.gz SOTOQZYOSQGEHT-SFGNSQDASA-N -1 0 313.335 -0.577 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)CCc1noc2ccccc21 ZINC001571119436 1025846482 /nfs/dbraw/zinc/84/64/82/1025846482.db2.gz FRPDOOIFUPFRLE-SNVBAGLBSA-N -1 0 314.319 -0.265 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])[C@@H](O)C1 ZINC001571123897 1025846770 /nfs/dbraw/zinc/84/67/70/1025846770.db2.gz VGXXCDUGUJQSPZ-JLIMGVALSA-N -1 0 314.338 -0.197 20 0 DBADRM O=C([O-])c1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)c2nc[nH]n2)n1 ZINC001571122726 1025847552 /nfs/dbraw/zinc/84/75/52/1025847552.db2.gz HTUAZPKLMALRER-YUMQZZPRSA-N -1 0 315.293 -0.604 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)N=S(C)(C)=O)[C@@](C)(C(=O)[O-])C1 ZINC001571123779 1025848070 /nfs/dbraw/zinc/84/80/70/1025848070.db2.gz WEOQIXSUJPMXLK-VXNVDRBHSA-N -1 0 314.385 -0.477 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001571125639 1025848549 /nfs/dbraw/zinc/84/85/49/1025848549.db2.gz GZSKQEODISTKCG-WDEREUQCSA-N -1 0 315.370 -0.197 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@H]1CCC[C@H]1CCO ZINC001571126390 1025848695 /nfs/dbraw/zinc/84/86/95/1025848695.db2.gz QLOROZUPGRCVBC-QWRGUYRKSA-N -1 0 315.370 -0.182 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(Cc2ccc(-n3ccnc3)nc2)CC1=O ZINC001571125553 1025848880 /nfs/dbraw/zinc/84/88/80/1025848880.db2.gz JXWOBPNBDHLIDQ-GFCCVEGCSA-N -1 0 315.333 -0.006 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@H](C)[C@@H](CO)C1)C(=O)[O-] ZINC001571126459 1025848929 /nfs/dbraw/zinc/84/89/29/1025848929.db2.gz RPKRXGDPASCCIO-XWLWVQCSSA-N -1 0 315.370 -0.376 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)N[C@@H]2COCC[C@H]2O)c1 ZINC001571125052 1025849143 /nfs/dbraw/zinc/84/91/43/1025849143.db2.gz AAFOFGNAFHEPQF-VXGBXAGGSA-N -1 0 315.347 -0.258 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NC[C@H]2CCCCS2(=O)=O)n1 ZINC001571126598 1025849266 /nfs/dbraw/zinc/84/92/66/1025849266.db2.gz SWCLAUYTLINSDC-SECBINFHSA-N -1 0 315.351 -0.335 20 0 DBADRM CN1C[C@@H](CCNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1=O ZINC001571125528 1025849647 /nfs/dbraw/zinc/84/96/47/1025849647.db2.gz JAEQFDVYDICJEO-QMMMGPOBSA-N -1 0 315.351 -0.140 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@@H]1CCC[C@H]1CCO ZINC001571126391 1025849672 /nfs/dbraw/zinc/84/96/72/1025849672.db2.gz QLOROZUPGRCVBC-WDEREUQCSA-N -1 0 315.370 -0.182 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@H](C)[C@H](CO)C1)C(=O)[O-] ZINC001571126455 1025849829 /nfs/dbraw/zinc/84/98/29/1025849829.db2.gz RPKRXGDPASCCIO-NAKRPEOUSA-N -1 0 315.370 -0.376 20 0 DBADRM Cn1nccc1[C@H](NS(=O)(=O)C1CCC(=O)CC1)C(=O)[O-] ZINC001571126610 1025849877 /nfs/dbraw/zinc/84/98/77/1025849877.db2.gz TXDYAPHZUXEKSP-NSHDSACASA-N -1 0 315.351 -0.023 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCc2nnnn2CC2CC2)CC1 ZINC001571126349 1025849998 /nfs/dbraw/zinc/84/99/98/1025849998.db2.gz RBAXKESEFPEUJG-UHFFFAOYSA-N -1 0 315.355 -0.633 20 0 DBADRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)CCNC(=O)CO)C(=O)[O-])C1 ZINC001571131284 1025850565 /nfs/dbraw/zinc/85/05/65/1025850565.db2.gz AERFDCZUUKILSR-BREBYQMCSA-N -1 0 316.354 -0.740 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001571126841 1025850575 /nfs/dbraw/zinc/85/05/75/1025850575.db2.gz XAMKCZVBUJXVSK-VXNVDRBHSA-N -1 0 315.351 -0.300 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(F)c(O)c1 ZINC001571131046 1025850849 /nfs/dbraw/zinc/85/08/49/1025850849.db2.gz QGAYCZSGCFNOJG-SECBINFHSA-N -1 0 317.294 -0.145 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001571128758 1025851284 /nfs/dbraw/zinc/85/12/84/1025851284.db2.gz QXGJIMOODFZACV-QMMMGPOBSA-N -1 0 316.335 -0.144 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001571128246 1025851466 /nfs/dbraw/zinc/85/14/66/1025851466.db2.gz JHMAVRHUKLEIKY-RKDXNWHRSA-N -1 0 316.335 -0.138 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)[C@@H](C(N)=O)C1 ZINC001571131525 1025852879 /nfs/dbraw/zinc/85/28/79/1025852879.db2.gz JKKRCGJOKPIASF-HTRCEHHLSA-N -1 0 316.339 -0.618 20 0 DBADRM CC(C)(C)n1ncnc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001571131626 1025852936 /nfs/dbraw/zinc/85/29/36/1025852936.db2.gz NLBRXRFVAGLLGG-SECBINFHSA-N -1 0 316.383 -0.283 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@H](C(=O)NC[C@H](O)CC(=O)[O-])C1 ZINC001571131467 1025852983 /nfs/dbraw/zinc/85/29/83/1025852983.db2.gz HOKQZLRTIRCIPM-ZJUUUORDSA-N -1 0 316.354 -0.788 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)N3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC001571131347 1025853087 /nfs/dbraw/zinc/85/30/87/1025853087.db2.gz CUKJGTQNHJFNKY-YTWAJWBKSA-N -1 0 316.379 -0.074 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H](C(N)=O)C1 ZINC001571131621 1025853291 /nfs/dbraw/zinc/85/32/91/1025853291.db2.gz NGBIOOGBYZTCFR-POYBYMJQSA-N -1 0 316.339 -0.618 20 0 DBADRM CCOC[C@@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCO1 ZINC001571131601 1025853807 /nfs/dbraw/zinc/85/38/07/1025853807.db2.gz MATSSKUBDPTQCG-GRYCIOLGSA-N -1 0 316.354 -0.077 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC001571133112 1025854505 /nfs/dbraw/zinc/85/45/05/1025854505.db2.gz KNFFVRKZTBNZGP-SECBINFHSA-N -1 0 317.319 -0.125 20 0 DBADRM NC(=O)c1cccc(CN2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001571132830 1025854616 /nfs/dbraw/zinc/85/46/16/1025854616.db2.gz AOTQXFJUQZAQRU-STQMWFEESA-N -1 0 317.345 -0.193 20 0 DBADRM O=C([O-])[C@@H](F)CNS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001571133150 1025854873 /nfs/dbraw/zinc/85/48/73/1025854873.db2.gz IVBHMURFQCNXLB-SFYZADRCSA-N -1 0 317.360 -0.847 20 0 DBADRM O=C([O-])[C@@H](F)CNS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001571133154 1025854918 /nfs/dbraw/zinc/85/49/18/1025854918.db2.gz IVBHMURFQCNXLB-YUMQZZPRSA-N -1 0 317.360 -0.847 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001571133440 1025855534 /nfs/dbraw/zinc/85/55/34/1025855534.db2.gz NZKOICTWHWUSSW-ONGXEEELSA-N -1 0 317.367 -0.419 20 0 DBADRM CCOC(=O)[C@](C)(O)CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001571132941 1025855567 /nfs/dbraw/zinc/85/55/67/1025855567.db2.gz IDSPTZLUOGTKPU-IMSIIYSGSA-N -1 0 317.338 -0.313 20 0 DBADRM COC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(C)C ZINC001571133079 1025855946 /nfs/dbraw/zinc/85/59/46/1025855946.db2.gz KFONZHBQOJUOPC-CIUDSAMLSA-N -1 0 317.342 -0.539 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCC(=O)NCC(F)(F)F)CCC1 ZINC001571137738 1025857014 /nfs/dbraw/zinc/85/70/14/1025857014.db2.gz LUKKVNSXOFZYHI-UHFFFAOYSA-N -1 0 318.273 -0.408 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)n[nH]1 ZINC001571133931 1025857172 /nfs/dbraw/zinc/85/71/72/1025857172.db2.gz ZHVGILSOACKRMJ-UHFFFAOYSA-N -1 0 317.323 -0.318 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NC[C@H](CO)Cc2cccnc2)n1 ZINC001571138669 1025858373 /nfs/dbraw/zinc/85/83/73/1025858373.db2.gz DPUHRVZFUDMTGF-GFCCVEGCSA-N -1 0 318.333 -0.056 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])c(F)c1 ZINC001571139385 1025858713 /nfs/dbraw/zinc/85/87/13/1025858713.db2.gz KISUAGGZHVJVGC-LDYMZIIASA-N -1 0 318.326 -0.507 20 0 DBADRM Cc1nccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001571139773 1025858938 /nfs/dbraw/zinc/85/89/38/1025858938.db2.gz MHYSVYVSOSIZQK-MNOVXSKESA-N -1 0 318.333 -0.210 20 0 DBADRM C[C@](O)(CNC(=O)c1cc(S(C)(=O)=O)ccc1F)C(=O)[O-] ZINC001571140639 1025859036 /nfs/dbraw/zinc/85/90/36/1025859036.db2.gz HXZXAVROJBBMBM-LBPRGKRZSA-N -1 0 319.310 -0.205 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[C@H]4C(=O)[O-])C[C@H]32)n1 ZINC001571140096 1025859392 /nfs/dbraw/zinc/85/93/92/1025859392.db2.gz PHOULEUTSIGGEN-OGBGREFGSA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4C(=O)[O-])C[C@H]32)no1 ZINC001571142869 1025860821 /nfs/dbraw/zinc/86/08/21/1025860821.db2.gz BPDPVQOWKIWNTR-OMHSBUABSA-N -1 0 319.317 -0.110 20 0 DBADRM Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001571140937 1025860957 /nfs/dbraw/zinc/86/09/57/1025860957.db2.gz VRLYYENWHFCQOB-XWLWVQCSSA-N -1 0 318.333 -0.117 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CC(N3CC[C@@H](O)C3)C2)C1 ZINC001571141371 1025861311 /nfs/dbraw/zinc/86/13/11/1025861311.db2.gz NCNNGLMNARGURZ-JLLWLGSASA-N -1 0 318.395 -0.680 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001571142161 1025861378 /nfs/dbraw/zinc/86/13/78/1025861378.db2.gz XDTSUMFQZJBUGL-MRVPVSSYSA-N -1 0 319.277 -0.921 20 0 DBADRM Cc1nc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4C(=O)[O-])C[C@H]32)co1 ZINC001571142995 1025861722 /nfs/dbraw/zinc/86/17/22/1025861722.db2.gz HAGACBGRBBVONW-OMHSBUABSA-N -1 0 319.317 -0.110 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001571141105 1025861809 /nfs/dbraw/zinc/86/18/09/1025861809.db2.gz LFMDFMDLSPIDTA-ZETCQYMHSA-N -1 0 319.268 -0.308 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N(CC(=O)[O-])CC(C)C ZINC001571143337 1025862242 /nfs/dbraw/zinc/86/22/42/1025862242.db2.gz TXCOMZJRVALGED-UHFFFAOYSA-N -1 0 319.339 -0.072 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@@H]1CCCC[C@H]1O ZINC001571144426 1025862164 /nfs/dbraw/zinc/86/21/64/1025862164.db2.gz MLCBQAZEKKCNJV-GARJFASQSA-N -1 0 319.379 -0.362 20 0 DBADRM Cc1nc(C)c(CC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c(=O)[nH]1 ZINC001571143181 1025862362 /nfs/dbraw/zinc/86/23/62/1025862362.db2.gz NNVDMDPGMMUKCN-NSHDSACASA-N -1 0 319.321 -0.123 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])c(C(C)(C)C)n1 ZINC001571144407 1025862389 /nfs/dbraw/zinc/86/23/89/1025862389.db2.gz MCHNGLPMMYMAEU-QMMMGPOBSA-N -1 0 319.383 -0.169 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@@H](C(=O)[O-])c2cccnc2)nn1 ZINC001571143477 1025862899 /nfs/dbraw/zinc/86/28/99/1025862899.db2.gz ZRMPIIXOUXQBKU-CMPLNLGQSA-N -1 0 319.321 0.000 20 0 DBADRM Cn1nccc1[C@@H](NCc1nc2c(c(=O)[nH]1)COCC2)C(=O)[O-] ZINC001571143390 1025863174 /nfs/dbraw/zinc/86/31/74/1025863174.db2.gz VXIMRNJQLGRJPO-GFCCVEGCSA-N -1 0 319.321 -0.096 20 0 DBADRM CO[C@H]1COCC[C@@H]1N(C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571143100 1025863341 /nfs/dbraw/zinc/86/33/41/1025863341.db2.gz LHTVYABDEVKMCR-IUCAKERBSA-N -1 0 319.339 -0.468 20 0 DBADRM CN(CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1)C(=O)[O-] ZINC001571144280 1025863358 /nfs/dbraw/zinc/86/33/58/1025863358.db2.gz IOAQBLQAVIBWIZ-JOYOIKCWSA-N -1 0 319.383 -0.328 20 0 DBADRM CC1(C)COc2c(S(=O)(=O)NC[C@H](O)C(=O)[O-])cnn2C1 ZINC001571143138 1025863430 /nfs/dbraw/zinc/86/34/30/1025863430.db2.gz MJUHANWPQVDRFM-ZETCQYMHSA-N -1 0 319.339 -0.975 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1cc(OC)ccc1C(=O)[O-] ZINC001571143434 1025863708 /nfs/dbraw/zinc/86/37/08/1025863708.db2.gz XKAXYNOLOXJNGG-QMMMGPOBSA-N -1 0 319.335 -0.321 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001571144535 1025864470 /nfs/dbraw/zinc/86/44/70/1025864470.db2.gz OGEKGZAACCUDOK-VPOLOUISSA-N -1 0 319.379 -0.052 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001571145320 1025864492 /nfs/dbraw/zinc/86/44/92/1025864492.db2.gz SDRNSEPHDJLBQI-JTQLQIEISA-N -1 0 320.252 -0.865 20 0 DBADRM CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)NC[C@H](F)C(=O)[O-])c1 ZINC001571145046 1025865021 /nfs/dbraw/zinc/86/50/21/1025865021.db2.gz HNQACKIECAFODF-QMMMGPOBSA-N -1 0 320.298 -0.267 20 0 DBADRM Cc1ncc(NC(=O)c2cnn(C[C@H](O)CO)c2)cc1C(=O)[O-] ZINC001571145630 1025865163 /nfs/dbraw/zinc/86/51/63/1025865163.db2.gz FBGXJILZEGXKRL-NSHDSACASA-N -1 0 320.305 -0.110 20 0 DBADRM C[C@@](CO)(NC(=O)[C@]1(c2ccccc2)CCC(=O)NC1)C(=O)[O-] ZINC001571145688 1025865311 /nfs/dbraw/zinc/86/53/11/1025865311.db2.gz GPLBQCIKYXDPMH-JKSUJKDBSA-N -1 0 320.345 -0.214 20 0 DBADRM Cc1nnsc1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001571144733 1025865360 /nfs/dbraw/zinc/86/53/60/1025865360.db2.gz WBUYUSCXLNCMSF-QUBYGPBYSA-N -1 0 319.364 -0.536 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001571144585 1025865454 /nfs/dbraw/zinc/86/54/54/1025865454.db2.gz PLCWYRPELGUJJQ-UWVGGRQHSA-N -1 0 319.383 -0.137 20 0 DBADRM COc1cccc([C@H](O)C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])c1 ZINC001571145582 1025865637 /nfs/dbraw/zinc/86/56/37/1025865637.db2.gz CQKTVKFCLKZJMJ-RYUDHWBXSA-N -1 0 320.305 -0.410 20 0 DBADRM COc1ccccc1[C@@H](O)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001571145729 1025866046 /nfs/dbraw/zinc/86/60/46/1025866046.db2.gz IFWWFVJKZNOBOL-GFCCVEGCSA-N -1 0 320.305 -0.165 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N[C@H](CO)[C@@H](O)c2ccccn2)n1 ZINC001571146459 1025866480 /nfs/dbraw/zinc/86/64/80/1025866480.db2.gz YMTOMELCLIHTAQ-YPMHNXCESA-N -1 0 320.305 -0.813 20 0 DBADRM Cn1cnc(C(=O)NC2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)c1 ZINC001571146170 1025866661 /nfs/dbraw/zinc/86/66/61/1025866661.db2.gz SNBBTBFTYHJBKE-WDEREUQCSA-N -1 0 320.349 -0.138 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)n1 ZINC001571146456 1025866780 /nfs/dbraw/zinc/86/67/80/1025866780.db2.gz YMTOMELCLIHTAQ-AAEUAGOBSA-N -1 0 320.305 -0.813 20 0 DBADRM COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001571145992 1025867018 /nfs/dbraw/zinc/86/70/18/1025867018.db2.gz QEEIXKSQKDAGCO-BDAKNGLRSA-N -1 0 320.342 -0.522 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCO[C@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001571145965 1025867085 /nfs/dbraw/zinc/86/70/85/1025867085.db2.gz PEZFETOFKLLPTN-AXFHLTTASA-N -1 0 320.349 -0.108 20 0 DBADRM Cn1cnnc1[C@H](CO)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001571146012 1025867193 /nfs/dbraw/zinc/86/71/93/1025867193.db2.gz QSXPLMRTKDUWCG-NSHDSACASA-N -1 0 320.305 -0.258 20 0 DBADRM Cc1cnc2c(C(=O)N[C@H](CC3OCCO3)C(=O)[O-])cnn2c1 ZINC001571146186 1025867213 /nfs/dbraw/zinc/86/72/13/1025867213.db2.gz SVEIUKHQVZELTP-SNVBAGLBSA-N -1 0 320.305 -0.016 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N[C@@H](CO)[C@H](O)c2ccccn2)n1 ZINC001571146458 1025867542 /nfs/dbraw/zinc/86/75/42/1025867542.db2.gz YMTOMELCLIHTAQ-WCQYABFASA-N -1 0 320.305 -0.813 20 0 DBADRM C[C@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@@H](C(=O)[O-])O1 ZINC001571149919 1025867973 /nfs/dbraw/zinc/86/79/73/1025867973.db2.gz PRXODNFGKMBWOR-XVKPBYJWSA-N -1 0 321.289 -0.273 20 0 DBADRM Cc1cn2nnc(C(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)c2c(=O)[nH]1 ZINC001571149689 1025869062 /nfs/dbraw/zinc/86/90/62/1025869062.db2.gz HHNQOUZPKYZHMW-SFYZADRCSA-N -1 0 321.293 -0.954 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(Cc2nnnn2C2CC2)C1 ZINC001571149414 1025869095 /nfs/dbraw/zinc/86/90/95/1025869095.db2.gz XFTONRUOWCYYEY-QWRGUYRKSA-N -1 0 320.353 -0.723 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC001571149361 1025869346 /nfs/dbraw/zinc/86/93/46/1025869346.db2.gz VOLXJUWHHNGVMI-QMMMGPOBSA-N -1 0 320.371 -0.318 20 0 DBADRM CCn1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001571151128 1025869948 /nfs/dbraw/zinc/86/99/48/1025869948.db2.gz RDXLMFWIGWVKFV-ZJUUUORDSA-N -1 0 321.337 -0.697 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001571150951 1025869960 /nfs/dbraw/zinc/86/99/60/1025869960.db2.gz PFBXOSPBFWCVTA-NXEZZACHSA-N -1 0 321.337 -0.871 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)CCc2ccon2)CC1 ZINC001571150576 1025870018 /nfs/dbraw/zinc/87/00/18/1025870018.db2.gz JXJTVKSHVFSBDG-VXGBXAGGSA-N -1 0 321.333 -0.001 20 0 DBADRM COC(=O)CCCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001571150549 1025870327 /nfs/dbraw/zinc/87/03/27/1025870327.db2.gz JKOPYXCVFZYSOB-SECBINFHSA-N -1 0 321.351 -0.570 20 0 DBADRM C[C@H](Cc1cnn(C)c1)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001571150373 1025870351 /nfs/dbraw/zinc/87/03/51/1025870351.db2.gz HOPWWWKXYTYCNH-SECBINFHSA-N -1 0 321.341 -0.360 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001571151164 1025870391 /nfs/dbraw/zinc/87/03/91/1025870391.db2.gz ROLFRLQHUSCGAD-ZYUZMQFOSA-N -1 0 321.337 -0.840 20 0 DBADRM CN(C(=O)c1cn[nH]n1)C1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001571150909 1025870586 /nfs/dbraw/zinc/87/05/86/1025870586.db2.gz NWRAYUCCCKDQMT-ZJUUUORDSA-N -1 0 321.337 -0.412 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001571150540 1025870710 /nfs/dbraw/zinc/87/07/10/1025870710.db2.gz JCMBIVSMNNEMMA-ZYUZMQFOSA-N -1 0 321.337 -0.542 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)Cn2cncn2)C1 ZINC001571150381 1025870906 /nfs/dbraw/zinc/87/09/06/1025870906.db2.gz HRBCHNKLLOKTRJ-NAKRPEOUSA-N -1 0 321.337 -0.990 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1cccnc1 ZINC001571150580 1025870981 /nfs/dbraw/zinc/87/09/81/1025870981.db2.gz KIKKNXVACQIXKO-FIXISWKDSA-N -1 0 321.333 -0.079 20 0 DBADRM CN(CCCC(=O)NCc1nnc2c(=O)n(C)ccn12)C(=O)[O-] ZINC001571153476 1025872174 /nfs/dbraw/zinc/87/21/74/1025872174.db2.gz OTGKJOWEYVBKOQ-UHFFFAOYSA-N -1 0 322.325 -0.566 20 0 DBADRM Cc1c(C(=O)N2CC[C@](F)(C(=O)[O-])C2)nnn1-c1cnn(C)c1 ZINC001571153457 1025872333 /nfs/dbraw/zinc/87/23/33/1025872333.db2.gz OARXPBYLZKWYTC-CYBMUJFWSA-N -1 0 322.300 -0.052 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)N1CC[C@@](F)(C(=O)[O-])C1)c2=O ZINC001571152791 1025872348 /nfs/dbraw/zinc/87/23/48/1025872348.db2.gz FUCYTFAGUQDHAD-AWEZNQCLSA-N -1 0 322.296 -0.089 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001571152414 1025872940 /nfs/dbraw/zinc/87/29/40/1025872940.db2.gz BEZQAIUNQBINRP-MRVPVSSYSA-N -1 0 322.277 -0.391 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001571153438 1025873270 /nfs/dbraw/zinc/87/32/70/1025873270.db2.gz NNAOIGPBJKJNDJ-UTINFBMNSA-N -1 0 322.321 -0.595 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)NCc1ncc(C(=O)[O-])s1 ZINC001571154460 1025873677 /nfs/dbraw/zinc/87/36/77/1025873677.db2.gz LVBBRJNTKFXDCZ-LURJTMIESA-N -1 0 321.380 -0.215 20 0 DBADRM Cc1nonc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001571154208 1025873704 /nfs/dbraw/zinc/87/37/04/1025873704.db2.gz VSRCMSHITGUOPL-ZYUZMQFOSA-N -1 0 322.321 -0.595 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001571154916 1025873756 /nfs/dbraw/zinc/87/37/56/1025873756.db2.gz XSJTVKCWLXMHHN-CMPLNLGQSA-N -1 0 321.395 -0.221 20 0 DBADRM Cc1nonc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001571154206 1025874197 /nfs/dbraw/zinc/87/41/97/1025874197.db2.gz VSRCMSHITGUOPL-XKNYDFJKSA-N -1 0 322.321 -0.595 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(CC(=O)Nc2ccon2)C1 ZINC001571154084 1025875108 /nfs/dbraw/zinc/87/51/08/1025875108.db2.gz UKKCYASCMCTHJO-VHSXEESVSA-N -1 0 322.321 -0.618 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)N1CCCC[C@H]1C)C(=O)[O-] ZINC001571154623 1025875134 /nfs/dbraw/zinc/87/51/34/1025875134.db2.gz QDMRSITWKZAGFV-UTLUCORTSA-N -1 0 321.399 -0.327 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571154155 1025875185 /nfs/dbraw/zinc/87/51/85/1025875185.db2.gz UZRKQGMVYLRCSS-DTWKUNHWSA-N -1 0 322.321 -0.571 20 0 DBADRM CN(C(=O)CCCS(N)(=O)=O)[C@@H](COC1CCC1)C(=O)[O-] ZINC001571156466 1025875648 /nfs/dbraw/zinc/87/56/48/1025875648.db2.gz WXVVDYLFTVCOIR-JTQLQIEISA-N -1 0 322.383 -0.464 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001571155879 1025875881 /nfs/dbraw/zinc/87/58/81/1025875881.db2.gz GZKAEESCZWPAIT-KXUCPTDWSA-N -1 0 322.383 -0.880 20 0 DBADRM CC(C)c1[nH]c(CN2CCN(CC(N)=O)C(=O)C2)cc1C(=O)[O-] ZINC001571156219 1025876302 /nfs/dbraw/zinc/87/63/02/1025876302.db2.gz NXICSSVIEPDSMC-UHFFFAOYSA-N -1 0 322.365 -0.034 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3CCOCC3)C[C@H]21 ZINC001571155902 1025876460 /nfs/dbraw/zinc/87/64/60/1025876460.db2.gz HNCMESXLEZRTLA-OBPIAQAESA-N -1 0 322.361 -0.293 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@H](NC(=O)[O-])C1)CS(N)(=O)=O ZINC001571156385 1025876605 /nfs/dbraw/zinc/87/66/05/1025876605.db2.gz UKVHPSSLXMXPIE-QMMMGPOBSA-N -1 0 322.387 -0.647 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001571158383 1025876773 /nfs/dbraw/zinc/87/67/73/1025876773.db2.gz LITSXNORERYVSI-CYBMUJFWSA-N -1 0 323.349 -0.351 20 0 DBADRM COc1cc(S(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)sn1 ZINC001571156494 1025876851 /nfs/dbraw/zinc/87/68/51/1025876851.db2.gz XZWVESMZURRCPB-UHFFFAOYSA-N -1 0 322.364 -0.344 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NC1CCN(S(N)(=O)=O)CC1 ZINC001571156191 1025876888 /nfs/dbraw/zinc/87/68/88/1025876888.db2.gz MWJZRPDEMJIADF-VIFPVBQESA-N -1 0 322.387 -0.937 20 0 DBADRM CN(Cc1nnn(C)n1)C1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001571156201 1025876947 /nfs/dbraw/zinc/87/69/47/1025876947.db2.gz NDIAEPYZARQYQT-MNOVXSKESA-N -1 0 322.369 -0.646 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCOCC1 ZINC001571155920 1025876994 /nfs/dbraw/zinc/87/69/94/1025876994.db2.gz HYGFBLQGKHANNY-JZRPKSSGSA-N -1 0 322.361 -0.293 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CCCS(=O)(=O)N1CCCC1)C(=O)[O-] ZINC001571156398 1025877060 /nfs/dbraw/zinc/87/70/60/1025877060.db2.gz UUHOONXMQBBNCV-KOLCDFICSA-N -1 0 322.383 -0.858 20 0 DBADRM O=C([O-])N1CCC(C(=O)N[C@H](CO)[C@@H](O)c2ccccn2)CC1 ZINC001571158429 1025877478 /nfs/dbraw/zinc/87/74/78/1025877478.db2.gz MMLYFQWXPDUMGQ-OLZOCXBDSA-N -1 0 323.349 -0.018 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NS(=O)(=O)C[C@H]1CCOC1 ZINC001571158423 1025877526 /nfs/dbraw/zinc/87/75/26/1025877526.db2.gz MDVYBKMAEXYJGV-UWVGGRQHSA-N -1 0 323.367 -0.451 20 0 DBADRM CC1(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCN(CC(=O)NC2CC2)CC1 ZINC001571160798 1025877705 /nfs/dbraw/zinc/87/77/05/1025877705.db2.gz HEJWUIOLRJGXKL-VXGBXAGGSA-N -1 0 323.393 -0.044 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001571159183 1025878477 /nfs/dbraw/zinc/87/84/77/1025878477.db2.gz BDZSUCZHSZBCIS-RKDXNWHRSA-N -1 0 323.309 -0.761 20 0 DBADRM Cc1nnc(C2CN(S(=O)(=O)c3cncc(C(=O)[O-])c3)C2)[nH]1 ZINC001571158611 1025878648 /nfs/dbraw/zinc/87/86/48/1025878648.db2.gz PPWSXZCZDORGSB-UHFFFAOYSA-N -1 0 323.334 -0.006 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)no1 ZINC001571159202 1025878750 /nfs/dbraw/zinc/87/87/50/1025878750.db2.gz BXOJQGXUMQSMPI-MRVPVSSYSA-N -1 0 323.305 -0.524 20 0 DBADRM C[C@H](C(=O)[O-])N(CC(F)F)S(=O)(=O)CCS(C)(=O)=O ZINC001571158551 1025879329 /nfs/dbraw/zinc/87/93/29/1025879329.db2.gz NDRVPPDENXRKLZ-ZCFIWIBFSA-N -1 0 323.339 -0.599 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2ccnc(OC)n2)C[C@H]1C(=O)[O-] ZINC001571163997 1025879691 /nfs/dbraw/zinc/87/96/91/1025879691.db2.gz YQDUJCUOTNYPAL-SFYZADRCSA-N -1 0 324.293 -0.177 20 0 DBADRM COCc1noc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001571163408 1025880018 /nfs/dbraw/zinc/88/00/18/1025880018.db2.gz KRXKTOYUEKYYAS-ZJUUUORDSA-N -1 0 324.337 -0.419 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2cnn(C)c(=O)c2)C[C@H]1C(=O)[O-] ZINC001571163955 1025880082 /nfs/dbraw/zinc/88/00/82/1025880082.db2.gz XVHAXQIJIPDHIV-BDAKNGLRSA-N -1 0 324.293 -0.882 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])CC2 ZINC001571162967 1025880161 /nfs/dbraw/zinc/88/01/61/1025880161.db2.gz AIRKGARXCPZNAJ-SCZZXKLOSA-N -1 0 324.337 -0.748 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@@H]1C(=O)[O-] ZINC001571163439 1025880429 /nfs/dbraw/zinc/88/04/29/1025880429.db2.gz MABUKGVEPSLCGE-IUCAKERBSA-N -1 0 324.337 -0.021 20 0 DBADRM CO[C@H]1CN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)[C@@](C)(C(=O)[O-])C1 ZINC001571163579 1025880653 /nfs/dbraw/zinc/88/06/53/1025880653.db2.gz NBSRMOGXNGJXSQ-IDTAVKCVSA-N -1 0 324.337 -0.322 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)n[nH]1 ZINC001571163976 1025880868 /nfs/dbraw/zinc/88/08/68/1025880868.db2.gz YIAXTYPXJQOKFT-RQJHMYQMSA-N -1 0 324.215 -0.283 20 0 DBADRM CCc1cc(CNC(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)[nH]n1 ZINC001571163594 1025880902 /nfs/dbraw/zinc/88/09/02/1025880902.db2.gz NJPHKHCRDUXTLU-WDEREUQCSA-N -1 0 324.337 -0.013 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2cnn(C)c(=O)c2)C[C@@H]1C(=O)[O-] ZINC001571163957 1025880919 /nfs/dbraw/zinc/88/09/19/1025880919.db2.gz XVHAXQIJIPDHIV-IUCAKERBSA-N -1 0 324.293 -0.882 20 0 DBADRM CN(CCN(C)C(=O)NCC(C)(C)CS(N)(=O)=O)C(=O)[O-] ZINC001571164605 1025881633 /nfs/dbraw/zinc/88/16/33/1025881633.db2.gz CANRBWZALWRQTP-UHFFFAOYSA-N -1 0 324.403 -0.448 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2cnsn2)CC1 ZINC001571165364 1025881640 /nfs/dbraw/zinc/88/16/40/1025881640.db2.gz MGIFUAJDKMLTEP-IUCAKERBSA-N -1 0 324.362 -0.020 20 0 DBADRM COCCN(C)S(=O)(=O)N(C)[C@H](COC1CCC1)C(=O)[O-] ZINC001571165914 1025881765 /nfs/dbraw/zinc/88/17/65/1025881765.db2.gz QMWZDKSKZJATQR-LLVKDONJSA-N -1 0 324.399 -0.237 20 0 DBADRM CC(C)(O)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C2 ZINC001571166059 1025882788 /nfs/dbraw/zinc/88/27/88/1025882788.db2.gz SAJIFCKGZWJZLV-MNOVXSKESA-N -1 0 324.377 -0.071 20 0 DBADRM CC[C@@H](NC(=O)Cn1ccc(C(=O)[O-])n1)C(=O)N1CCOCC1 ZINC001571164023 1025882797 /nfs/dbraw/zinc/88/27/97/1025882797.db2.gz ZSBVCCOHGSMURM-SNVBAGLBSA-N -1 0 324.337 -0.665 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCc2nnnn2CC2CC2)C1 ZINC001571165985 1025882819 /nfs/dbraw/zinc/88/28/19/1025882819.db2.gz RDCJNIKQZYLDRF-ZDUSSCGKSA-N -1 0 324.341 -0.532 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC(Cc2nn[nH]n2)CC1)C(=O)[O-] ZINC001571164742 1025882922 /nfs/dbraw/zinc/88/29/22/1025882922.db2.gz DHECPRCKWNNYHN-ZDUSSCGKSA-N -1 0 324.385 -0.320 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@@]2(C)C=CCC2)c1[O-] ZINC001572349139 1026363337 /nfs/dbraw/zinc/36/33/37/1026363337.db2.gz LAQWGUYGYBUTCI-BMIGLBTASA-N -1 0 322.365 -0.013 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001573381266 1026558488 /nfs/dbraw/zinc/55/84/88/1026558488.db2.gz FWPQLNTVXNKOHG-HTQZYQBOSA-N -1 0 318.355 -0.744 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)c2ccnc3c(C(=O)[O-])cnn32)C1 ZINC001573371579 1026558642 /nfs/dbraw/zinc/55/86/42/1026558642.db2.gz WTXZRYPOCMKUOY-VIFPVBQESA-N -1 0 317.305 -0.222 20 0 DBADRM CC(=O)N(C)CC(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001573370905 1026558877 /nfs/dbraw/zinc/55/88/77/1026558877.db2.gz NZIGCDHIKGILEY-FQEVSTJZSA-N -1 0 304.368 -0.711 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001573383724 1026559654 /nfs/dbraw/zinc/55/96/54/1026559654.db2.gz URVJLCNMLAWKEK-CQSZACIVSA-N -1 0 313.354 -0.972 20 0 DBADRM CC(=O)N[C@](C)(C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(C)C ZINC001573371203 1026559469 /nfs/dbraw/zinc/55/94/69/1026559469.db2.gz RSJDGEWUKSCDIO-QIBSRJKCSA-N -1 0 315.370 -0.369 20 0 DBADRM C[C@@H](C(=O)[O-])C1CN(C(=O)CNC(=O)c2ncccc2O)C1 ZINC001573398417 1026561571 /nfs/dbraw/zinc/56/15/71/1026561571.db2.gz FHEMEDVZXMYVAF-MRVPVSSYSA-N -1 0 307.306 -0.304 20 0 DBADRM CC(=O)CCCC(=O)N1C[C@H](NC(=O)CNC(=O)[O-])[C@@H](C)C1 ZINC001573398815 1026562201 /nfs/dbraw/zinc/56/22/01/1026562201.db2.gz DORIQEHMIOJDNY-ONGXEEELSA-N -1 0 313.354 -0.024 20 0 DBADRM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573401720 1026562789 /nfs/dbraw/zinc/56/27/89/1026562789.db2.gz GJUSWMGSZSYNGU-NSHDSACASA-N -1 0 321.337 -0.334 20 0 DBADRM C[C@H](C(=O)[O-])C1CN(C(=O)CCn2cnc3c2ncnc3N)C1 ZINC001573400138 1026562833 /nfs/dbraw/zinc/56/28/33/1026562833.db2.gz ULTNKLVXLDZOQX-QMMMGPOBSA-N -1 0 318.337 -0.022 20 0 DBADRM CC(=O)C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001573399471 1026562877 /nfs/dbraw/zinc/56/28/77/1026562877.db2.gz JSKJVJICAPMQSY-QMMMGPOBSA-N -1 0 317.323 -0.524 20 0 DBADRM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)CNC(=O)[O-])C[C@H]1C ZINC001573400511 1026562961 /nfs/dbraw/zinc/56/29/61/1026562961.db2.gz WXIGMSWCTHLSON-MWLCHTKSSA-N -1 0 313.354 -0.024 20 0 DBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccncc1)n1cncn1 ZINC001573400098 1026563744 /nfs/dbraw/zinc/56/37/44/1026563744.db2.gz SRCJBHCGOPILPR-MIMYLULJSA-N -1 0 305.294 -0.463 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001573401029 1026564193 /nfs/dbraw/zinc/56/41/93/1026564193.db2.gz KWDQVQRJXWMRQZ-LLVKDONJSA-N -1 0 321.337 -0.652 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001573402221 1026564951 /nfs/dbraw/zinc/56/49/51/1026564951.db2.gz JKCMJXQFGBOZFO-QMMMGPOBSA-N -1 0 309.326 -0.430 20 0 DBADRM CC(=O)N(C)CC(=O)NCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001573403942 1026565042 /nfs/dbraw/zinc/56/50/42/1026565042.db2.gz WKXPVIMIHZQWOP-UHFFFAOYSA-N -1 0 309.326 -0.795 20 0 DBADRM CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001573406922 1026565085 /nfs/dbraw/zinc/56/50/85/1026565085.db2.gz IXNXCOFQYPNUNX-ZIAGYGMSSA-N -1 0 317.338 -0.171 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H](C)CN(C)c1ncc(C(=O)[O-])cn1 ZINC001573404138 1026565114 /nfs/dbraw/zinc/56/51/14/1026565114.db2.gz ZGXBUADYRCYKCC-VIFPVBQESA-N -1 0 323.353 -0.406 20 0 DBADRM CC(=O)N1CCC[C@H](N(CCO)c2ncc(C(=O)[O-])cn2)C1 ZINC001573409514 1026565514 /nfs/dbraw/zinc/56/55/14/1026565514.db2.gz DVHXIGHRJMMMOO-LBPRGKRZSA-N -1 0 308.338 -0.016 20 0 DBADRM CC(=O)N1CCC(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001573409243 1026565647 /nfs/dbraw/zinc/56/56/47/1026565647.db2.gz CUORNXABFMIXJY-ZYHUDNBSSA-N -1 0 313.354 -0.214 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1ccnc(C(=O)[O-])n1 ZINC001573403556 1026565738 /nfs/dbraw/zinc/56/57/38/1026565738.db2.gz RSVYCXNMTODTAG-SECBINFHSA-N -1 0 323.353 -0.406 20 0 DBADRM C[C@H](C(=O)[O-])C1CN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001573407514 1026566029 /nfs/dbraw/zinc/56/60/29/1026566029.db2.gz LRQXEGJXGZZCPM-LURJTMIESA-N -1 0 302.308 -0.280 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573402157 1026566193 /nfs/dbraw/zinc/56/61/93/1026566193.db2.gz HTQIBEPTEKNDEM-VIFPVBQESA-N -1 0 323.353 -0.183 20 0 DBADRM CC(=O)N1CCC(NC(=O)Cn2cnc(C(=O)[O-])cc2=O)CC1 ZINC001573411303 1026567293 /nfs/dbraw/zinc/56/72/93/1026567293.db2.gz OFUWKFBTUABXCO-UHFFFAOYSA-N -1 0 322.321 -0.931 20 0 DBADRM CC(=O)N1CCC(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])CC1 ZINC001573410416 1026567576 /nfs/dbraw/zinc/56/75/76/1026567576.db2.gz OPHJEWIMLODTLL-LLVKDONJSA-N -1 0 314.338 -0.423 20 0 DBADRM CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(C)C ZINC001573416838 1026567690 /nfs/dbraw/zinc/56/76/90/1026567690.db2.gz BJVPBXHZKRWSMX-NRPADANISA-N -1 0 301.343 -0.759 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001573414635 1026567793 /nfs/dbraw/zinc/56/77/93/1026567793.db2.gz VWKCQUYDQFJHAN-LLVKDONJSA-N -1 0 321.337 -0.286 20 0 DBADRM CC(=O)N1C[C@H](C(=O)NCC[C@H](O)C(=O)[O-])Oc2ccccc21 ZINC001573410609 1026567846 /nfs/dbraw/zinc/56/78/46/1026567846.db2.gz SORWUBKYGJHXJQ-WCQYABFASA-N -1 0 322.317 -0.248 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])C1 ZINC001573411061 1026567861 /nfs/dbraw/zinc/56/78/61/1026567861.db2.gz HYPCTHWGOYOKAM-QWRGUYRKSA-N -1 0 314.338 -0.423 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)c1ncc(C(=O)[O-])cn1 ZINC001573421955 1026568854 /nfs/dbraw/zinc/56/88/54/1026568854.db2.gz NXWLZMVDVHJLTK-RKDXNWHRSA-N -1 0 323.353 -0.360 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H](CNC(=O)CNC(=O)[O-])C(C)C ZINC001573422453 1026568881 /nfs/dbraw/zinc/56/88/81/1026568881.db2.gz PZPVMEMUPOTKIC-PSASIEDQSA-N -1 0 316.358 -0.964 20 0 DBADRM CC(=O)N[C@@](C)(C(=O)N[C@H](CC1OCCO1)C(=O)[O-])C(C)C ZINC001573418447 1026569124 /nfs/dbraw/zinc/56/91/24/1026569124.db2.gz QYQOEFDDAGJIRV-QMTHXVAHSA-N -1 0 316.354 -0.130 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)CCNc1ncc(C(=O)[O-])cn1 ZINC001573421803 1026569206 /nfs/dbraw/zinc/56/92/06/1026569206.db2.gz NGXKGRMCAXOHCS-MRVPVSSYSA-N -1 0 309.326 -0.430 20 0 DBADRM CC(=O)N1CCc2sc(CNC(=O)CNC(=O)[O-])nc2C1 ZINC001573418089 1026569444 /nfs/dbraw/zinc/56/94/44/1026569444.db2.gz NOXSRVGBYOAHJU-UHFFFAOYSA-N -1 0 312.351 -0.069 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001573421010 1026569497 /nfs/dbraw/zinc/56/94/97/1026569497.db2.gz GYNFLLHEMLCYAP-IUCAKERBSA-N -1 0 323.353 -0.620 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001573422081 1026569733 /nfs/dbraw/zinc/56/97/33/1026569733.db2.gz PCKCATIDEWNMEY-QMMMGPOBSA-N -1 0 321.337 -0.818 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)c1ncc(C(=O)[O-])cn1 ZINC001573421769 1026569862 /nfs/dbraw/zinc/56/98/62/1026569862.db2.gz LSXFSCJMYOCVLV-VIFPVBQESA-N -1 0 323.353 -0.406 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])no1 ZINC001573427811 1026571131 /nfs/dbraw/zinc/57/11/31/1026571131.db2.gz JOOXIZHKEPMHBB-VIFPVBQESA-N -1 0 324.293 -0.562 20 0 DBADRM CC(=O)NCC(=O)N(C)CCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001573427600 1026571141 /nfs/dbraw/zinc/57/11/41/1026571141.db2.gz CBCYSWNLZHTLLG-UHFFFAOYSA-N -1 0 323.353 -0.404 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001573427606 1026572027 /nfs/dbraw/zinc/57/20/27/1026572027.db2.gz CDWGOWGQKYBAHJ-VWYCJHECSA-N -1 0 311.338 -0.907 20 0 DBADRM CC(=O)NC1(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CCCCC1 ZINC001573427529 1026572199 /nfs/dbraw/zinc/57/21/99/1026572199.db2.gz ZFPNEFLJCYUTBR-NSHDSACASA-N -1 0 323.353 -0.314 20 0 DBADRM CC(=O)N[C@@H]1CCN([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001573428188 1026572509 /nfs/dbraw/zinc/57/25/09/1026572509.db2.gz RTYWWVCPEXCGRQ-ZWNOBZJWSA-N -1 0 311.382 -0.092 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@H](N(C)c2ncc(C(=O)[O-])cn2)C1 ZINC001573428183 1026573646 /nfs/dbraw/zinc/57/36/46/1026573646.db2.gz RMTSMHRWDMPRRM-NSHDSACASA-N -1 0 321.337 -0.652 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001573430628 1026573682 /nfs/dbraw/zinc/57/36/82/1026573682.db2.gz UDTUSOLPABTHMM-SECBINFHSA-N -1 0 301.343 -0.756 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1C ZINC001573430546 1026573960 /nfs/dbraw/zinc/57/39/60/1026573960.db2.gz RKYIEOFAOCAEDB-PSASIEDQSA-N -1 0 321.337 -0.748 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001573436356 1026574571 /nfs/dbraw/zinc/57/45/71/1026574571.db2.gz MXZMEXYOPZFCSN-GHMZBOCLSA-N -1 0 316.354 -0.130 20 0 DBADRM CC(=O)NC[C@H]1CC2(CO1)CCN(C(=O)CNC(=O)[O-])CC2 ZINC001573433937 1026575889 /nfs/dbraw/zinc/57/58/89/1026575889.db2.gz JEEKUOIAGQLIAR-LLVKDONJSA-N -1 0 313.354 -0.212 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001573436357 1026575957 /nfs/dbraw/zinc/57/59/57/1026575957.db2.gz MXZMEXYOPZFCSN-MNOVXSKESA-N -1 0 316.354 -0.130 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)C(N)=O ZINC001573435866 1026576242 /nfs/dbraw/zinc/57/62/42/1026576242.db2.gz BGBWDIAVDXTFRP-DTWKUNHWSA-N -1 0 301.343 -0.628 20 0 DBADRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001573457880 1026577529 /nfs/dbraw/zinc/57/75/29/1026577529.db2.gz NNAUCIOAZXQXJW-KXUCPTDWSA-N -1 0 319.379 -0.100 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)NCc2[nH]cnc2C(=O)[O-])n1 ZINC001573474968 1026579128 /nfs/dbraw/zinc/57/91/28/1026579128.db2.gz ABSHSOXHVXLKLS-UHFFFAOYSA-N -1 0 307.314 -0.292 20 0 DBADRM CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)[C@H](O)CC(=O)[O-])C1 ZINC001573467966 1026579156 /nfs/dbraw/zinc/57/91/56/1026579156.db2.gz AHIXSFBKONWPJX-IWSPIJDZSA-N -1 0 302.327 -0.006 20 0 DBADRM CC(C)(CNC(=O)N1CC([C@H](F)C(=O)[O-])C1)S(C)(=O)=O ZINC001573481918 1026579218 /nfs/dbraw/zinc/57/92/18/1026579218.db2.gz GYUIEXQNTSUDTI-QMMMGPOBSA-N -1 0 310.347 -0.126 20 0 DBADRM CC(C)(C)OC(=O)NCCN(CCO)C(=O)CCNC(=O)[O-] ZINC001573468994 1026579428 /nfs/dbraw/zinc/57/94/28/1026579428.db2.gz VKUAXWNQRJDUHD-UHFFFAOYSA-N -1 0 319.358 -0.010 20 0 DBADRM CC(C)(CCNC(=O)c1nc2ncc(CCO)cn2n1)C(=O)[O-] ZINC001573474832 1026579715 /nfs/dbraw/zinc/57/97/15/1026579715.db2.gz MZRRQGHJJIXAPP-UHFFFAOYSA-N -1 0 321.337 -0.110 20 0 DBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)N[C@@H](CO)CC(=O)[O-] ZINC001573469315 1026580377 /nfs/dbraw/zinc/58/03/77/1026580377.db2.gz LYWJJXXDLYNGCH-SECBINFHSA-N -1 0 318.370 -0.352 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)Nc1ncc(CC(=O)[O-])s1 ZINC001573493358 1026581240 /nfs/dbraw/zinc/58/12/40/1026581240.db2.gz OTXOCRYIORKBHC-QMMMGPOBSA-N -1 0 315.351 -0.158 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001573485032 1026581283 /nfs/dbraw/zinc/58/12/83/1026581283.db2.gz SLQIRRLLCOZJCT-HRDYMLBCSA-N -1 0 304.368 -0.507 20 0 DBADRM CC(C)(NS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)c1ncon1 ZINC001573483870 1026581468 /nfs/dbraw/zinc/58/14/68/1026581468.db2.gz FXDILIFNQCYDRN-QMMMGPOBSA-N -1 0 318.355 -0.064 20 0 DBADRM CC(C)(NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(=O)[O-] ZINC001573482990 1026581960 /nfs/dbraw/zinc/58/19/60/1026581960.db2.gz MBRFWZDEHFSVQV-MNOVXSKESA-N -1 0 300.355 -0.154 20 0 DBADRM CC(C)C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)NC(=O)[O-] ZINC001573501669 1026582476 /nfs/dbraw/zinc/58/24/76/1026582476.db2.gz GQTXFKYPZYDHBP-KXUCPTDWSA-N -1 0 301.343 -0.182 20 0 DBADRM CC(C)[C@H](CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C(=O)[O-] ZINC001573489611 1026582571 /nfs/dbraw/zinc/58/25/71/1026582571.db2.gz GFIBZMJGNVPOQZ-JOYOIKCWSA-N -1 0 306.384 -0.069 20 0 DBADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])cn1)CS(N)(=O)=O ZINC001573482404 1026582962 /nfs/dbraw/zinc/58/29/62/1026582962.db2.gz XAWYQEUHMJBQMW-UHFFFAOYSA-N -1 0 315.351 -0.176 20 0 DBADRM CC(=O)N(CCc1ccccc1)CC(=O)N[C@H](CO)C(=O)[O-] ZINC001573510179 1026584039 /nfs/dbraw/zinc/58/40/39/1026584039.db2.gz SLKJOZUNOFPHPX-CYBMUJFWSA-N -1 0 308.334 -0.361 20 0 DBADRM CC(C)NC(=O)CCCC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001573525303 1026584441 /nfs/dbraw/zinc/58/44/41/1026584441.db2.gz UOTADLDTMKHZQW-VHSXEESVSA-N -1 0 315.370 -0.225 20 0 DBADRM CC(C)COC[C@@H](O)CNC(=O)Nc1ncn(CC(=O)[O-])n1 ZINC001573516368 1026584615 /nfs/dbraw/zinc/58/46/15/1026584615.db2.gz QPPJWXBBQJEEDX-VIFPVBQESA-N -1 0 315.330 -0.482 20 0 DBADRM CC(C)C[C@@H](C(N)=O)N(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001573516567 1026585101 /nfs/dbraw/zinc/58/51/01/1026585101.db2.gz XQDMKMNVOORQMG-UWVGGRQHSA-N -1 0 321.399 -0.388 20 0 DBADRM CC(C)C[C@@H](O)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001573516805 1026585190 /nfs/dbraw/zinc/58/51/90/1026585190.db2.gz JCKZKGTUYLZXSW-SNVBAGLBSA-N -1 0 321.395 -0.211 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC001573530672 1026585397 /nfs/dbraw/zinc/58/53/97/1026585397.db2.gz BELZMDWRVNQPAO-UWVGGRQHSA-N -1 0 301.343 -0.325 20 0 DBADRM C[C@H](CCC(=O)[O-])NC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001573540733 1026586083 /nfs/dbraw/zinc/58/60/83/1026586083.db2.gz NRPAQQKQVBMBRN-KCJUWKMLSA-N -1 0 308.356 -0.912 20 0 DBADRM C[C@](CNC(=O)CCNC(=O)CO)(C(=O)[O-])c1ccccc1 ZINC001573544046 1026586216 /nfs/dbraw/zinc/58/62/16/1026586216.db2.gz DMSYZGNGSZWGLK-OAHLLOKOSA-N -1 0 308.334 -0.356 20 0 DBADRM CC(C)c1nc([C@@H]2COCCN2C(=O)[C@@H](O)CC(=O)[O-])no1 ZINC001573532836 1026586338 /nfs/dbraw/zinc/58/63/38/1026586338.db2.gz CYMLKRXQZXXRME-IUCAKERBSA-N -1 0 313.310 -0.072 20 0 DBADRM CC(C)c1nnnn1CC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001573533213 1026586404 /nfs/dbraw/zinc/58/64/04/1026586404.db2.gz LKKZMENIRMPGKG-ZJUUUORDSA-N -1 0 311.342 -0.065 20 0 DBADRM C[C@@H](CN(C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)[O-])C1)c1nnn[n-]1 ZINC001573543661 1026586534 /nfs/dbraw/zinc/58/65/34/1026586534.db2.gz UIGKAPOCYKCQEG-VHSXEESVSA-N -1 0 310.358 -0.442 20 0 DBADRM C[C@H](CC(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1)NC(N)=O ZINC001573536246 1026586661 /nfs/dbraw/zinc/58/66/61/1026586661.db2.gz WXVHGDTZZBJODH-ZEDNOMKYSA-N -1 0 319.383 -0.742 20 0 DBADRM C[C@@H](CCC(=O)[O-])NC(=O)NC[C@@]1(OCCO)CCOC1 ZINC001573540189 1026586872 /nfs/dbraw/zinc/58/68/72/1026586872.db2.gz GRDJJHGYCLCSEC-GWCFXTLKSA-N -1 0 304.343 -0.293 20 0 DBADRM C[C@H](CCC(=O)[O-])NC(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001573540736 1026587695 /nfs/dbraw/zinc/58/76/95/1026587695.db2.gz NRPAQQKQVBMBRN-LDYMZIIASA-N -1 0 308.356 -0.912 20 0 DBADRM C[C@@H](CN(C)C(=O)C[N@@H+]1CCC[C@H](C(=O)[O-])C1)c1nnn[n-]1 ZINC001573543660 1026587708 /nfs/dbraw/zinc/58/77/08/1026587708.db2.gz UIGKAPOCYKCQEG-UWVGGRQHSA-N -1 0 310.358 -0.442 20 0 DBADRM C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001573543327 1026587858 /nfs/dbraw/zinc/58/78/58/1026587858.db2.gz PWGKLZGZTIWMKB-ZCFIWIBFSA-N -1 0 305.312 -0.983 20 0 DBADRM C[C@H](CCC(=O)[O-])NC(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001573541843 1026587891 /nfs/dbraw/zinc/58/78/91/1026587891.db2.gz ZRHXJYGQYPEZBT-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NC(=O)NCCc1cn(C)cn1)C(=O)[O-] ZINC001573554021 1026589213 /nfs/dbraw/zinc/58/92/13/1026589213.db2.gz OQZWYHAFAOBVIU-DTWKUNHWSA-N -1 0 311.342 -0.760 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(=O)[O-] ZINC001573553067 1026589263 /nfs/dbraw/zinc/58/92/63/1026589263.db2.gz VUXRPDZWJROBHN-UTUOFQBUSA-N -1 0 300.355 -0.297 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573550106 1026589869 /nfs/dbraw/zinc/58/98/69/1026589869.db2.gz JBSPNZUWDHIQND-VWYCJHECSA-N -1 0 311.342 -0.459 20 0 DBADRM C[C@H](CNC(=O)Nc1n[nH]nc1C(=O)NC1CC1)CC(=O)[O-] ZINC001573552790 1026589939 /nfs/dbraw/zinc/58/99/39/1026589939.db2.gz TZWWLMUBLDLGDD-LURJTMIESA-N -1 0 310.314 -0.071 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H](C)c1ccn(C)n1)C(=O)[O-] ZINC001573551790 1026590066 /nfs/dbraw/zinc/59/00/66/1026590066.db2.gz BYQCERNOPIKMBN-CIUDSAMLSA-N -1 0 311.342 -0.242 20 0 DBADRM C[C@H](CNC(=O)N1CC[C@H](CS(N)(=O)=O)C1)CC(=O)[O-] ZINC001573544646 1026590120 /nfs/dbraw/zinc/59/01/20/1026590120.db2.gz SNVKIJMPNFTHPV-IUCAKERBSA-N -1 0 307.372 -0.583 20 0 DBADRM C[C@@H](CNC(=O)NCC1(OCCO)CCOCC1)CC(=O)[O-] ZINC001573544327 1026590212 /nfs/dbraw/zinc/59/02/12/1026590212.db2.gz JCUDAABBBWYHPB-LLVKDONJSA-N -1 0 318.370 -0.046 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1nc(C(=O)[O-])n[nH]1 ZINC001573559274 1026590964 /nfs/dbraw/zinc/59/09/64/1026590964.db2.gz CBDARPVPTFULQD-NTSWFWBYSA-N -1 0 302.312 -0.885 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573554712 1026591560 /nfs/dbraw/zinc/59/15/60/1026591560.db2.gz ZFEUDBZRMXDOGK-LPEHRKFASA-N -1 0 315.370 -0.376 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cnn2c1NCCC2)C(=O)[O-] ZINC001573560171 1026591746 /nfs/dbraw/zinc/59/17/46/1026591746.db2.gz RFDDQVSLGCFIGR-YUMQZZPRSA-N -1 0 309.326 -0.594 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NC(=O)Nc1ccn(C)c(=O)c1)C(=O)[O-] ZINC001573554270 1026591852 /nfs/dbraw/zinc/59/18/52/1026591852.db2.gz RAUACUPFRZGWIH-JGVFFNPUSA-N -1 0 310.310 -0.515 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1ccnc2n[nH]nc21)C(=O)[O-] ZINC001573559833 1026591978 /nfs/dbraw/zinc/59/19/78/1026591978.db2.gz KPHYBFDBVBXJKR-WDSKDSINSA-N -1 0 306.282 -0.940 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NC(=O)c1ncccc1N(C)C)C(=O)[O-] ZINC001573559790 1026592060 /nfs/dbraw/zinc/59/20/60/1026592060.db2.gz JKWCIKNXUJCKJI-DTWKUNHWSA-N -1 0 308.338 -0.145 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@@](C)(C(=O)[O-])C1)C1N=NC(=O)N1C ZINC001573562570 1026592478 /nfs/dbraw/zinc/59/24/78/1026592478.db2.gz NIKVMMLJNIYPEE-JVXZTZIISA-N -1 0 313.314 -0.533 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NC(=O)c1cncc2ncn(C)c21)C(=O)[O-] ZINC001573560738 1026593272 /nfs/dbraw/zinc/59/32/72/1026593272.db2.gz XFUUUEMWDYXHAC-JGVFFNPUSA-N -1 0 319.321 -0.324 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CCN(C(=O)[O-])CC1 ZINC001573568900 1026593296 /nfs/dbraw/zinc/59/32/96/1026593296.db2.gz HUJRCORIVZIEMO-DVVUODLYSA-N -1 0 313.354 -0.086 20 0 DBADRM C[C@H](NC(=O)N1CCS(=O)(=O)CC1)c1nc(C(=O)[O-])n[nH]1 ZINC001573561089 1026593482 /nfs/dbraw/zinc/59/34/82/1026593482.db2.gz BZBUQZCWRPSTDU-LURJTMIESA-N -1 0 317.327 -0.996 20 0 DBADRM C[C@H](NC(=O)Cc1nnc(C2CC2)[nH]1)c1nc(C(=O)[O-])n[nH]1 ZINC001573562512 1026593601 /nfs/dbraw/zinc/59/36/01/1026593601.db2.gz NBCWGIIBRCCILF-YFKPBYRVSA-N -1 0 305.298 -0.082 20 0 DBADRM C[C@H](NC(=O)COCc1nccn1C)c1nc(C(=O)[O-])n[nH]1 ZINC001573561126 1026594107 /nfs/dbraw/zinc/59/41/07/1026594107.db2.gz CLAQEOZPMXSSBK-ZETCQYMHSA-N -1 0 308.298 -0.370 20 0 DBADRM C[C@H](NC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO)c1ncn(C)n1 ZINC001573562956 1026593955 /nfs/dbraw/zinc/59/39/55/1026593955.db2.gz QPGCSRVVDRWERS-CIUDSAMLSA-N -1 0 312.330 -0.854 20 0 DBADRM C[C@@H](CCCO)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001573579793 1026594883 /nfs/dbraw/zinc/59/48/83/1026594883.db2.gz KOJAPIUWNCFQMK-WDEREUQCSA-N -1 0 315.370 -0.088 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](CC(=O)[O-])c1ccncc1 ZINC001573578525 1026594909 /nfs/dbraw/zinc/59/49/09/1026594909.db2.gz GWUZPIXMUAJOSI-PSASIEDQSA-N -1 0 315.351 -0.349 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)Nc2nnc(CC(=O)[O-])s2)CCO1 ZINC001573580204 1026595148 /nfs/dbraw/zinc/59/51/48/1026595148.db2.gz CGILCQXFTAKPDM-NKWVEPMBSA-N -1 0 316.339 -0.221 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NCc1nc(CC(=O)[O-])cs1 ZINC001573579488 1026596116 /nfs/dbraw/zinc/59/61/16/1026596116.db2.gz VFTWMUZCBJPPHX-LURJTMIESA-N -1 0 321.380 -0.676 20 0 DBADRM C[C@H](CCO)CCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001573579260 1026596138 /nfs/dbraw/zinc/59/61/38/1026596138.db2.gz HJBOETSRSMNQCO-JTQLQIEISA-N -1 0 321.395 -0.209 20 0 DBADRM CC(=O)c1cn(C2CN(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C2)nn1 ZINC001573578418 1026596594 /nfs/dbraw/zinc/59/65/94/1026596594.db2.gz APLLLJNZMGWEFX-KYZUINATSA-N -1 0 307.310 -0.090 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)NC[C@@H](C)CC(=O)[O-] ZINC001573625798 1026604659 /nfs/dbraw/zinc/60/46/59/1026604659.db2.gz LGLGZUANLWXEPR-ZETCQYMHSA-N -1 0 303.340 -0.252 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccc(Cc2nnc[nH]2)cc1)C(=O)[O-] ZINC001573581773 1026597846 /nfs/dbraw/zinc/59/78/46/1026597846.db2.gz KOODFEATTHKSJC-CQSZACIVSA-N -1 0 304.306 -0.039 20 0 DBADRM C[C@H](O)CN(C(=O)NCc1cc(C(=O)[O-])no1)[C@@H](C)CO ZINC001573581838 1026598726 /nfs/dbraw/zinc/59/87/26/1026598726.db2.gz KXIJPMVKJHZCAW-YUMQZZPRSA-N -1 0 301.299 -0.354 20 0 DBADRM C[C@H](O)[C@@H](O)CNC(=O)Nc1c(C(=O)[O-])nc2ccccn21 ZINC001573582977 1026598806 /nfs/dbraw/zinc/59/88/06/1026598806.db2.gz QEFGEYLQMRZABR-YUMQZZPRSA-N -1 0 308.294 -0.104 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(C(=O)c2ccc(S(C)(=O)=O)o2)CCO1 ZINC001573601247 1026599806 /nfs/dbraw/zinc/59/98/06/1026599806.db2.gz NCAYXRWQWQGQOF-LBPRGKRZSA-N -1 0 317.319 -0.001 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)c1nnc2c(=O)[nH]ccn21 ZINC001573611339 1026601464 /nfs/dbraw/zinc/60/14/64/1026601464.db2.gz SGKNDCUAGWBPDD-SVRRBLITSA-N -1 0 305.294 -0.294 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(C(=O)c2cnc3c(c2)NC(=O)CO3)CCO1 ZINC001573606870 1026602265 /nfs/dbraw/zinc/60/22/65/1026602265.db2.gz ZJMWMSUDBHHZQI-AWEZNQCLSA-N -1 0 321.289 -0.272 20 0 DBADRM CC1=C(C(=O)N2CCC[C@@H](C(=O)[O-])C2)S(=O)(=O)CCO1 ZINC001573626243 1026603010 /nfs/dbraw/zinc/60/30/10/1026603010.db2.gz NPMGHPHYKMALNX-SECBINFHSA-N -1 0 303.336 -0.014 20 0 DBADRM C[C@@]1(NS(=O)(=O)C2(C(=O)[O-])CCC2)CCS(=O)(=O)C1 ZINC001573627243 1026603070 /nfs/dbraw/zinc/60/30/70/1026603070.db2.gz XKZBPDGTROUXLA-SECBINFHSA-N -1 0 311.381 -0.510 20 0 DBADRM CC1=NO[C@H](CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)C1 ZINC001573626224 1026603661 /nfs/dbraw/zinc/60/36/61/1026603661.db2.gz NHJSIVZJUNUSDQ-KXUCPTDWSA-N -1 0 300.315 -0.579 20 0 DBADRM C[C@@H]1[C@@H](CO)CCN1S(=O)(=O)Cc1cc(C(=O)[O-])no1 ZINC001573632678 1026604161 /nfs/dbraw/zinc/60/41/61/1026604161.db2.gz MKLSEDNTUJUOHF-HTQZYQBOSA-N -1 0 304.324 -0.095 20 0 DBADRM C[C@@]1(C2CCN(C(=O)[C@@H](O)CC(=O)[O-])CC2)COC(=O)N1 ZINC001573620459 1026604174 /nfs/dbraw/zinc/60/41/74/1026604174.db2.gz XNTNGBFUQFVRPB-ZANVPECISA-N -1 0 300.311 -0.441 20 0 DBADRM CC1=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])Cn2nnnc2N1C ZINC001573624527 1026604224 /nfs/dbraw/zinc/60/42/24/1026604224.db2.gz DBASIGCVCNQIPD-SCZZXKLOSA-N -1 0 306.326 -0.234 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)[C@H](C)O1 ZINC001573633839 1026606200 /nfs/dbraw/zinc/60/62/00/1026606200.db2.gz CIYXWWMLNGLHKP-NZHYYXIDSA-N -1 0 301.343 -0.178 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CCN(c2nc(N)nc(C(=O)[O-])n2)CC1 ZINC001573636935 1026606809 /nfs/dbraw/zinc/60/68/09/1026606809.db2.gz VEKWLLFRDIVQFY-SFYZADRCSA-N -1 0 306.326 -0.543 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)[O-])cc2CN1CCCC(=O)NC(N)=O ZINC001573653550 1026608727 /nfs/dbraw/zinc/60/87/27/1026608727.db2.gz BHKWVCYQCOQOHE-MRVPVSSYSA-N -1 0 309.326 -0.240 20 0 DBADRM C[C@H]1CN=C(N2CCN(C(=O)[C@H](O)CC(=O)[O-])CC2)S1 ZINC001573653782 1026608810 /nfs/dbraw/zinc/60/88/10/1026608810.db2.gz CRZSRSCLPJLIJR-DTWKUNHWSA-N -1 0 301.368 -0.543 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)NCc1cnnn1C ZINC001573655833 1026609105 /nfs/dbraw/zinc/60/91/05/1026609105.db2.gz ZZXYALOQOPEUHZ-MRVPVSSYSA-N -1 0 319.325 -0.176 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)[C@@H](O)c1cnn(C)c1 ZINC001573653859 1026609265 /nfs/dbraw/zinc/60/92/65/1026609265.db2.gz DPQFFMLLVYRWJY-PELKAZGASA-N -1 0 319.321 -0.221 20 0 DBADRM CC1(C)CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C[C@H]1O ZINC001573675802 1026616694 /nfs/dbraw/zinc/61/66/94/1026616694.db2.gz PWSUUPIXZBROLI-SECBINFHSA-N -1 0 319.379 -0.505 20 0 DBADRM C[C@@]1(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCC(=O)N1 ZINC001573684189 1026618581 /nfs/dbraw/zinc/61/85/81/1026618581.db2.gz KQWCXHNATOUMHK-OTYXRUKQSA-N -1 0 311.338 -0.906 20 0 DBADRM C[C@]12CN(C(=O)C3(C(=O)[O-])CCOCC3)C[C@]1(C)C(=O)NC2=O ZINC001573689682 1026620244 /nfs/dbraw/zinc/62/02/44/1026620244.db2.gz PQQFPRPGNAKZTO-ZIAGYGMSSA-N -1 0 324.333 -0.621 20 0 DBADRM C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001573691276 1026620400 /nfs/dbraw/zinc/62/04/00/1026620400.db2.gz USRWQUDGDBHVOJ-MIMYLULJSA-N -1 0 317.363 -0.298 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)NCCOCCOCC(=O)[O-])C(=O)O1 ZINC001573699717 1026620937 /nfs/dbraw/zinc/62/09/37/1026620937.db2.gz AJTACPRBWMBMSK-DTWKUNHWSA-N -1 0 304.299 -0.893 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@H](C)CCS(C)(=O)=O ZINC001573723951 1026622024 /nfs/dbraw/zinc/62/20/24/1026622024.db2.gz AOSSAKBTTVRUJF-RKDXNWHRSA-N -1 0 315.413 -0.018 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NC[C@@H](CO)[C@@H]1CCOC1 ZINC001573724065 1026623276 /nfs/dbraw/zinc/62/32/76/1026623276.db2.gz CTWYUPVPSHOXQA-OUAUKWLOSA-N -1 0 309.384 -0.196 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N[C@@H](C(N)=O)c1ccccn1 ZINC001573725027 1026625301 /nfs/dbraw/zinc/62/53/01/1026625301.db2.gz WMJLWECBFTWYIB-VHSXEESVSA-N -1 0 315.351 -0.219 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NCCn1cnccc1=O ZINC001573725375 1026625413 /nfs/dbraw/zinc/62/54/13/1026625413.db2.gz ZBJFARAIPOYGHH-SECBINFHSA-N -1 0 303.340 -0.584 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N1CC[C@](O)(C(=O)OC)C1 ZINC001573724321 1026625437 /nfs/dbraw/zinc/62/54/37/1026625437.db2.gz IKKGFWSTJWPJRR-LDYMZIIASA-N -1 0 309.340 -0.821 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@@H](C(N)=O)c1ccccn1 ZINC001573725025 1026625536 /nfs/dbraw/zinc/62/55/36/1026625536.db2.gz WMJLWECBFTWYIB-NXEZZACHSA-N -1 0 315.351 -0.219 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NCC(=O)c1cnn(C)c1 ZINC001573724903 1026625649 /nfs/dbraw/zinc/62/56/49/1026625649.db2.gz UHOISIZEAYPFCA-JTQLQIEISA-N -1 0 303.340 -0.225 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NCCS(=O)(=O)C1CC1 ZINC001573724274 1026625813 /nfs/dbraw/zinc/62/58/13/1026625813.db2.gz HXHHARWFXXVAIA-SECBINFHSA-N -1 0 313.397 -0.264 20 0 DBADRM CCCNC(=O)[C@H](C)NS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001573760488 1026627875 /nfs/dbraw/zinc/62/78/75/1026627875.db2.gz OWRXDBUCYFKTPD-DTWKUNHWSA-N -1 0 307.372 -0.716 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)C1=CN(C)S(=O)(=O)N=C1C ZINC001573750871 1026628033 /nfs/dbraw/zinc/62/80/33/1026628033.db2.gz KWEBFLUDCDGHQP-UHFFFAOYSA-N -1 0 303.340 -0.155 20 0 DBADRM C[C@H]1CN(C(=O)c2cnc(C(=O)[O-])cn2)[C@@H](C)CN1CCO ZINC001573747607 1026628365 /nfs/dbraw/zinc/62/83/65/1026628365.db2.gz GFIRCNXYXPGZSX-UWVGGRQHSA-N -1 0 308.338 -0.298 20 0 DBADRM CCCN(C(=O)CN1CCS(=O)(=O)CC1)[C@@H](C)C(=O)[O-] ZINC001573744092 1026628566 /nfs/dbraw/zinc/62/85/66/1026628566.db2.gz OMXRRZIKPNISFQ-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM CCCN(C(=O)Cn1cc(C(C)=O)nn1)[C@H](COC)C(=O)[O-] ZINC001573744404 1026628419 /nfs/dbraw/zinc/62/84/19/1026628419.db2.gz RUXFUWPCEXXQHW-LLVKDONJSA-N -1 0 312.326 -0.181 20 0 DBADRM CCCN(C(=O)CNC(=O)CNC(C)=O)[C@@H](CC)C(=O)[O-] ZINC001573743965 1026628713 /nfs/dbraw/zinc/62/87/13/1026628713.db2.gz MHGOQTFSKSUNGZ-JTQLQIEISA-N -1 0 301.343 -0.660 20 0 DBADRM CCN1C[C@H](C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)CC1=O ZINC001573776860 1026629829 /nfs/dbraw/zinc/62/98/29/1026629829.db2.gz DGAFFQLQQHJOSP-RTXFEEFZSA-N -1 0 321.333 -0.447 20 0 DBADRM CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001573777207 1026630235 /nfs/dbraw/zinc/63/02/35/1026630235.db2.gz YTNMJZNOWKENEK-UWVGGRQHSA-N -1 0 323.349 -0.034 20 0 DBADRM CCN(CC(=O)N(C)CC(=O)[O-])[C@@H](C)CS(=O)(=O)CC ZINC001573769626 1026630254 /nfs/dbraw/zinc/63/02/54/1026630254.db2.gz DPUFMOIVXQEWBW-JTQLQIEISA-N -1 0 308.400 -0.326 20 0 DBADRM CCN(C(=O)Cn1ncc(C(=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1 ZINC001573770569 1026630488 /nfs/dbraw/zinc/63/04/88/1026630488.db2.gz XLHSWZYFTRIIGS-MRVPVSSYSA-N -1 0 316.339 -0.988 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573769103 1026630615 /nfs/dbraw/zinc/63/06/15/1026630615.db2.gz BVAKUKJWDWTYOE-NXEZZACHSA-N -1 0 316.358 -0.875 20 0 DBADRM CCN(CC(=O)[O-])C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC001573769367 1026630714 /nfs/dbraw/zinc/63/07/14/1026630714.db2.gz PVZYVHVABPHIAI-UHFFFAOYSA-N -1 0 317.342 -0.440 20 0 DBADRM CCOC(=O)[C@]1(CNC(=O)[C@H](O)CC(=O)[O-])CCCOC1 ZINC001573784323 1026631645 /nfs/dbraw/zinc/63/16/45/1026631645.db2.gz JCUZOFKSMOOAHL-RNCFNFMXSA-N -1 0 303.311 -0.702 20 0 DBADRM CCOC(=O)C1(CNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1 ZINC001573785018 1026631868 /nfs/dbraw/zinc/63/18/68/1026631868.db2.gz OUQAGUVKSFMLIW-SECBINFHSA-N -1 0 320.367 -0.287 20 0 DBADRM CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)[C@H](O)CC(=O)[O-] ZINC001573784240 1026631908 /nfs/dbraw/zinc/63/19/08/1026631908.db2.gz HBJCNYZBPDMNMC-PWSUYJOCSA-N -1 0 310.306 -0.020 20 0 DBADRM CCN1CC[C@H]1CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573778424 1026632183 /nfs/dbraw/zinc/63/21/83/1026632183.db2.gz VUDOPSQURFBEBF-QMMMGPOBSA-N -1 0 302.356 -0.211 20 0 DBADRM CCNC(=O)C(C)(C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573778511 1026632337 /nfs/dbraw/zinc/63/23/37/1026632337.db2.gz YINBHAKMWZPWQL-UHFFFAOYSA-N -1 0 318.355 -0.391 20 0 DBADRM CCOC(=O)[C@H]1CCCCN1C(=O)Cn1ncc(C(=O)[O-])n1 ZINC001573784265 1026632540 /nfs/dbraw/zinc/63/25/40/1026632540.db2.gz HWNLSHHMJRFEJU-SNVBAGLBSA-N -1 0 310.310 -0.080 20 0 DBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)Cn1ncc(C(=O)[O-])n1 ZINC001573784264 1026633312 /nfs/dbraw/zinc/63/33/12/1026633312.db2.gz HWNLSHHMJRFEJU-JTQLQIEISA-N -1 0 310.310 -0.080 20 0 DBADRM CCOC(=O)C[C@H](CO)NC(=O)[C@H]1CSCN1C(=O)[O-] ZINC001573786596 1026634742 /nfs/dbraw/zinc/63/47/42/1026634742.db2.gz WCIHIDQIEBASOY-HTQZYQBOSA-N -1 0 306.340 -0.530 20 0 DBADRM CCOC(=O)c1cnn(CC(=O)N2CCN(C(=O)[O-])CC2)n1 ZINC001573794511 1026636015 /nfs/dbraw/zinc/63/60/15/1026636015.db2.gz ZNMUVLFJQRJEII-UHFFFAOYSA-N -1 0 311.298 -0.723 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001573792416 1026636529 /nfs/dbraw/zinc/63/65/29/1026636529.db2.gz WULFQBIIAMXYGB-QCLAVDOMSA-N -1 0 314.338 -0.330 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573792386 1026636892 /nfs/dbraw/zinc/63/68/92/1026636892.db2.gz VZNSCXBBPCJARG-YTWAJWBKSA-N -1 0 314.338 -0.337 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573792385 1026637136 /nfs/dbraw/zinc/63/71/36/1026637136.db2.gz VZNSCXBBPCJARG-UKKRHICBSA-N -1 0 314.338 -0.337 20 0 DBADRM CC[C@@H]1OCC[C@H]1NS(=O)(=O)N1CCN(C(=O)[O-])CC1 ZINC001573815710 1026638035 /nfs/dbraw/zinc/63/80/35/1026638035.db2.gz ZUUVUCHHOZFMCU-ZJUUUORDSA-N -1 0 307.372 -0.316 20 0 DBADRM CC[C@H]1CN(CC(=O)N[C@H](C)C(=O)N(C)C)C[C@]1(F)C(=O)[O-] ZINC001573824342 1026638347 /nfs/dbraw/zinc/63/83/47/1026638347.db2.gz LUXKJXJCYMPZGI-ISTVAULSSA-N -1 0 317.361 -0.286 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([C@H](F)C(=O)[O-])C1 ZINC001573807344 1026638434 /nfs/dbraw/zinc/63/84/34/1026638434.db2.gz HOZBAFCVPJYQRQ-SCZZXKLOSA-N -1 0 310.347 -0.461 20 0 DBADRM CC[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573815329 1026638655 /nfs/dbraw/zinc/63/86/55/1026638655.db2.gz RUYHMZCBRXOOFL-RGOKHQFPSA-N -1 0 301.343 -0.169 20 0 DBADRM CC[C@H]1CN(C(=O)CN(C)C(=O)COC)C[C@]1(F)C(=O)[O-] ZINC001573816845 1026638814 /nfs/dbraw/zinc/63/88/14/1026638814.db2.gz FYOUMZHWLSYFPT-TVQRCGJNSA-N -1 0 304.318 -0.248 20 0 DBADRM CC[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573815328 1026639497 /nfs/dbraw/zinc/63/94/97/1026639497.db2.gz RUYHMZCBRXOOFL-QEYWKRMJSA-N -1 0 301.343 -0.169 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001573820687 1026639504 /nfs/dbraw/zinc/63/95/04/1026639504.db2.gz QYDPDXVOWOHGFQ-HNNXBMFYSA-N -1 0 311.382 -0.136 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)N2CCN3C(=O)N=NC3C2)n1 ZINC001573847694 1026640826 /nfs/dbraw/zinc/64/08/26/1026640826.db2.gz ZMQMVKBOTNVMGR-UHFFFAOYSA-N -1 0 321.297 -0.054 20 0 DBADRM CCCN(C(=O)c1cc(C(=O)[O-])n[nH]1)[C@H]1CC(=O)N(C)C1=O ZINC001573849360 1026640977 /nfs/dbraw/zinc/64/09/77/1026640977.db2.gz CKYGWWWAVCEMQX-VIFPVBQESA-N -1 0 308.294 -0.283 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001573831614 1026641079 /nfs/dbraw/zinc/64/10/79/1026641079.db2.gz DWJQPOSCRRTBPH-UWVGGRQHSA-N -1 0 323.367 -0.167 20 0 DBADRM CCc1ncc(C(=O)[O-])c(N2CCC[C@@H](S(N)(=O)=O)C2)n1 ZINC001573837630 1026641823 /nfs/dbraw/zinc/64/18/23/1026641823.db2.gz LKGOCXAZOFVYRY-MRVPVSSYSA-N -1 0 314.367 -0.006 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)C2(OC)CS(=O)(=O)C2)n1 ZINC001573844716 1026641913 /nfs/dbraw/zinc/64/19/13/1026641913.db2.gz MISFMIRZYBCRSH-UHFFFAOYSA-N -1 0 317.323 -0.647 20 0 DBADRM CN(C)C1(CS(=O)(=O)NCc2[nH]cnc2C(=O)[O-])CC1 ZINC001573858506 1026642973 /nfs/dbraw/zinc/64/29/73/1026642973.db2.gz HAYCGOAOWQVCRF-UHFFFAOYSA-N -1 0 302.356 -0.379 20 0 DBADRM CN(C(=O)CCCS(N)(=O)=O)[C@H](C(=O)[O-])c1cccnc1 ZINC001573852834 1026643017 /nfs/dbraw/zinc/64/30/17/1026643017.db2.gz RATXOJCRJXVVPD-NSHDSACASA-N -1 0 315.351 -0.266 20 0 DBADRM CN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@H](C(=O)[O-])c1cccnc1 ZINC001573851306 1026643062 /nfs/dbraw/zinc/64/30/62/1026643062.db2.gz UQIRPZNAWWFWCU-ZJUUUORDSA-N -1 0 313.335 -0.643 20 0 DBADRM CN(C(=O)Nc1ncc(C(=O)[O-])n1C)[C@@H]1CCS(=O)(=O)C1 ZINC001573853099 1026643582 /nfs/dbraw/zinc/64/35/82/1026643582.db2.gz WKUKBKGQDHUTFU-SSDOTTSWSA-N -1 0 316.339 -0.231 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)NCC2N=NC(=O)N2C)CC1 ZINC001573851907 1026643786 /nfs/dbraw/zinc/64/37/86/1026643786.db2.gz GTGBVBICUCIWKP-UHFFFAOYSA-N -1 0 312.330 -0.196 20 0 DBADRM CN(C)C(=O)[C@H]1CCN(C(=O)NCc2cc(C(=O)[O-])no2)C1 ZINC001573859530 1026644954 /nfs/dbraw/zinc/64/49/54/1026644954.db2.gz XYDRANYHQPBAGL-QMMMGPOBSA-N -1 0 310.310 -0.008 20 0 DBADRM CN(CC(=O)[O-])C(=O)CN1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC001573864692 1026645134 /nfs/dbraw/zinc/64/51/34/1026645134.db2.gz LACHBXALEQCKDF-ZDUSSCGKSA-N -1 0 310.354 -0.302 20 0 DBADRM C[N@H+](CC(=O)N[C@H](C(=O)[O-])C1CCOCC1)[C@@H]1CCC[C@H]1O ZINC001573864822 1026645189 /nfs/dbraw/zinc/64/51/89/1026645189.db2.gz NVYVDZIJJKORCZ-BZPMIXESSA-N -1 0 314.382 -0.172 20 0 DBADRM CN(CC(=O)N[C@H](CC(=O)[O-])c1ccncc1)S(C)(=O)=O ZINC001573864496 1026645244 /nfs/dbraw/zinc/64/52/44/1026645244.db2.gz GZBNZYQFJCALCS-SNVBAGLBSA-N -1 0 315.351 -0.395 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)Nc1[nH]nc(C(=O)[O-])c1C1CC1 ZINC001573863731 1026645778 /nfs/dbraw/zinc/64/57/78/1026645778.db2.gz KLHIDUKURWVULP-UHFFFAOYSA-N -1 0 316.339 -0.185 20 0 DBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H](O)CC(=O)[O-])c1 ZINC001573864259 1026645842 /nfs/dbraw/zinc/64/58/42/1026645842.db2.gz ZJNQTFXPPVYNBG-JTQLQIEISA-N -1 0 316.335 -0.289 20 0 DBADRM CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H](O)CC(=O)[O-] ZINC001573871177 1026647392 /nfs/dbraw/zinc/64/73/92/1026647392.db2.gz WQGFQGVSYGOGJU-NSHDSACASA-N -1 0 302.371 -0.361 20 0 DBADRM CN(CCCn1cnc2c1ncnc2N)C(=O)CCNC(=O)[O-] ZINC001573873176 1026650044 /nfs/dbraw/zinc/65/00/44/1026650044.db2.gz ZKWQBNYOHJHCGM-UHFFFAOYSA-N -1 0 321.341 -0.085 20 0 DBADRM CN1C[C@@H](CCNC(=O)Nc2ncn(CC(=O)[O-])n2)CC1=O ZINC001573882639 1026650345 /nfs/dbraw/zinc/65/03/45/1026650345.db2.gz GYVFQRJBURRMBM-QMMMGPOBSA-N -1 0 310.314 -0.647 20 0 DBADRM CN1C[C@H](C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccncc2)CC1=O ZINC001573883156 1026650392 /nfs/dbraw/zinc/65/03/92/1026650392.db2.gz PAXDSVZKEHEPRM-YUSALJHKSA-N -1 0 307.306 -0.837 20 0 DBADRM CN(CCc1ncon1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001573876831 1026650813 /nfs/dbraw/zinc/65/08/13/1026650813.db2.gz UEHIBEIFRXDIMT-MRVPVSSYSA-N -1 0 304.328 -0.662 20 0 DBADRM CN1C[C@H](C(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccncc2)CC1=O ZINC001573883152 1026651231 /nfs/dbraw/zinc/65/12/31/1026651231.db2.gz PAXDSVZKEHEPRM-ADEWGFFLSA-N -1 0 307.306 -0.837 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)Nc2cn(C)cc2C(=O)[O-])CCO1 ZINC001573889179 1026653072 /nfs/dbraw/zinc/65/30/72/1026653072.db2.gz FQAPMOTWPQRPHA-SNVBAGLBSA-N -1 0 310.310 -0.298 20 0 DBADRM CN1CCN(Cc2cnc3c(C(=O)[O-])cnn3c2)[C@@H](CO)C1 ZINC001573885628 1026653082 /nfs/dbraw/zinc/65/30/82/1026653082.db2.gz SOVFRPNJPOAYSN-LLVKDONJSA-N -1 0 305.338 -0.464 20 0 DBADRM CCOC(=O)[C@H](C)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001573888289 1026653552 /nfs/dbraw/zinc/65/35/52/1026653552.db2.gz ULRMSIKGEHOTFO-NXEZZACHSA-N -1 0 314.338 -0.375 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC001573890206 1026655037 /nfs/dbraw/zinc/65/50/37/1026655037.db2.gz KLFMLPZANSKPMQ-UWVGGRQHSA-N -1 0 311.342 -0.525 20 0 DBADRM CNC(=O)CCCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001573890151 1026655539 /nfs/dbraw/zinc/65/55/39/1026655539.db2.gz IVIAYJBVNGGIKL-OLZOCXBDSA-N -1 0 309.322 -0.399 20 0 DBADRM CNC(=O)N[C@@H]1CCN(C(=O)Nc2ncc(C(=O)[O-])n2C)C1 ZINC001573890004 1026655621 /nfs/dbraw/zinc/65/56/21/1026655621.db2.gz HIZCGSRBRPISHE-SSDOTTSWSA-N -1 0 310.314 -0.347 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1Cc1[nH]nc(C)c1C(=O)[O-] ZINC001573890434 1026655640 /nfs/dbraw/zinc/65/56/40/1026655640.db2.gz PAADHEGJZGRZMM-SECBINFHSA-N -1 0 311.342 -0.454 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001573889519 1026655657 /nfs/dbraw/zinc/65/56/57/1026655657.db2.gz PTTRZHVRIMYIMZ-RKDXNWHRSA-N -1 0 304.368 -0.172 20 0 DBADRM COC(=O)[C@@](C)(O)CNC(=O)CC1(C(=O)[O-])CCOCC1 ZINC001573907016 1026657883 /nfs/dbraw/zinc/65/78/83/1026657883.db2.gz JERFTAMYONGLGU-LBPRGKRZSA-N -1 0 303.311 -0.702 20 0 DBADRM CCOC(=O)c1cc2n(n1)C[C@@H](C)N(CC(=O)NCC(=O)[O-])C2 ZINC001573903285 1026657912 /nfs/dbraw/zinc/65/79/12/1026657912.db2.gz NIBRHGREKKRDJX-SECBINFHSA-N -1 0 324.337 -0.535 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001573894751 1026657954 /nfs/dbraw/zinc/65/79/54/1026657954.db2.gz LCTUQINKYPLSLD-TVQRCGJNSA-N -1 0 303.311 -0.750 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001573894752 1026658287 /nfs/dbraw/zinc/65/82/87/1026658287.db2.gz LCTUQINKYPLSLD-ZANVPECISA-N -1 0 303.311 -0.750 20 0 DBADRM CCOC(=O)Cc1csc(CNC(=O)[C@H](OC)C(=O)[O-])n1 ZINC001573896072 1026658505 /nfs/dbraw/zinc/65/85/05/1026658505.db2.gz MNPUJXNIGBXNQG-JTQLQIEISA-N -1 0 316.335 -0.036 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@H](COC)C(=O)[O-])o1 ZINC001573910013 1026659018 /nfs/dbraw/zinc/65/90/18/1026659018.db2.gz FTPRYYDWEYDIIR-LURJTMIESA-N -1 0 306.296 -0.983 20 0 DBADRM COC(=O)[C@@H](C[C@H]1CCCO1)NCC(=O)N(C)CC(=O)[O-] ZINC001573907852 1026659114 /nfs/dbraw/zinc/65/91/14/1026659114.db2.gz RTFHTFMUPRYZMR-NXEZZACHSA-N -1 0 302.327 -0.770 20 0 DBADRM CNc1nc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)cs1 ZINC001573910305 1026659730 /nfs/dbraw/zinc/65/97/30/1026659730.db2.gz JUWWHTXJDVLOJK-BQBZGAKWSA-N -1 0 300.340 -0.115 20 0 DBADRM COC(=O)[C@@H](C[C@H]1CCCO1)NS(=O)(=O)CCC(=O)[O-] ZINC001573907998 1026660197 /nfs/dbraw/zinc/66/01/97/1026660197.db2.gz ULWGAUFKIXESMH-RKDXNWHRSA-N -1 0 309.340 -0.509 20 0 DBADRM CCOCCO[C@@H](C)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001573914393 1026661372 /nfs/dbraw/zinc/66/13/72/1026661372.db2.gz ZGMYWHDMUJTROQ-MJVIPROJSA-N -1 0 301.339 -0.012 20 0 DBADRM COC(=O)[C@H]1C[C@@H]2C[C@H](NS(=O)(=O)CCC(=O)[O-])[C@@H]2C1 ZINC001573914229 1026661692 /nfs/dbraw/zinc/66/16/92/1026661692.db2.gz HVJMHIXJTHUXFJ-RGOKHQFPSA-N -1 0 305.352 -0.032 20 0 DBADRM COC(=O)C1CC2(C1)C[C@@H](NC(=O)CNC(=O)[O-])CCO2 ZINC001573916419 1026662699 /nfs/dbraw/zinc/66/26/99/1026662699.db2.gz REEZOFSHAWNLGS-JVVWGOMOSA-N -1 0 300.311 -0.129 20 0 DBADRM COC(=O)[C@]1(C)CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001573915399 1026663432 /nfs/dbraw/zinc/66/34/32/1026663432.db2.gz HDNGZUMRYHPLDV-LLVKDONJSA-N -1 0 317.323 -0.318 20 0 DBADRM COC(=O)C1(NC[C@@H]2C[C@H]2C(=O)[O-])CCS(=O)(=O)CC1 ZINC001573916698 1026663650 /nfs/dbraw/zinc/66/36/50/1026663650.db2.gz VWUGNIGMPYGJDZ-DTWKUNHWSA-N -1 0 305.352 -0.583 20 0 DBADRM COC(=O)C1(O)CN(C(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC001573916909 1026663867 /nfs/dbraw/zinc/66/38/67/1026663867.db2.gz ZWEWQCZYWWNTNF-UHFFFAOYSA-N -1 0 315.307 -0.478 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC001573924649 1026664741 /nfs/dbraw/zinc/66/47/41/1026664741.db2.gz BFZOGNAPXFOEDK-QPUJVOFHSA-N -1 0 306.290 -0.322 20 0 DBADRM COC(=O)Cn1nc(C)c(CNC(=O)[C@H](O)CC(=O)[O-])c1C ZINC001573922263 1026664863 /nfs/dbraw/zinc/66/48/63/1026664863.db2.gz IRZFRLRZTOMPFT-SNVBAGLBSA-N -1 0 313.310 -0.875 20 0 DBADRM COC(=O)N(C)CCNC(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC001573922321 1026664938 /nfs/dbraw/zinc/66/49/38/1026664938.db2.gz LPZWJTAOCFXFRT-CYBMUJFWSA-N -1 0 317.342 -0.135 20 0 DBADRM COC(=O)COCC(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-] ZINC001573921746 1026665686 /nfs/dbraw/zinc/66/56/86/1026665686.db2.gz OCOAWAZGUWISSA-VIFPVBQESA-N -1 0 305.327 -0.049 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001573925441 1026665716 /nfs/dbraw/zinc/66/57/16/1026665716.db2.gz IJXAYOLWSYNSEQ-SFGNSQDASA-N -1 0 311.294 -0.571 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001573928565 1026666869 /nfs/dbraw/zinc/66/68/69/1026666869.db2.gz DZWFIIJAWLEZBQ-ZJUUUORDSA-N -1 0 306.384 -0.163 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CCO[C@](C)(C(=O)[O-])C2)C[C@H]1C ZINC001573934991 1026666896 /nfs/dbraw/zinc/66/68/96/1026666896.db2.gz IUENSYWNFAMCBQ-ZSJJWGNYSA-N -1 0 315.322 -0.345 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)[O-])C[C@@H](C)O1 ZINC001573931002 1026666958 /nfs/dbraw/zinc/66/69/58/1026666958.db2.gz QZWMPNXXVIORKK-HLTSFMKQSA-N -1 0 318.351 -0.172 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)[O-])C[C@H](C)O1 ZINC001573930998 1026667030 /nfs/dbraw/zinc/66/70/30/1026667030.db2.gz QZWMPNXXVIORKK-CIUDSAMLSA-N -1 0 318.351 -0.172 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N(CC(N)=O)CC(=O)[O-] ZINC001573927473 1026667119 /nfs/dbraw/zinc/66/71/19/1026667119.db2.gz AZDRCMVMASKGSN-DTWKUNHWSA-N -1 0 300.311 -0.636 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H](C)CC(=O)[O-] ZINC001573935649 1026668757 /nfs/dbraw/zinc/66/87/57/1026668757.db2.gz WMUDIEUTVHINSD-CIUDSAMLSA-N -1 0 317.342 -0.537 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC1(C(=O)[O-])CCC1 ZINC001573935472 1026668978 /nfs/dbraw/zinc/66/89/78/1026668978.db2.gz SAFKFZSSHVPLBA-IUCAKERBSA-N -1 0 314.338 -0.186 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001573935290 1026669084 /nfs/dbraw/zinc/66/90/84/1026669084.db2.gz PLOBKALAAAMUBM-JGVFFNPUSA-N -1 0 307.324 -0.756 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCN(C(=O)[O-])C2)n[nH]1 ZINC001573940729 1026669110 /nfs/dbraw/zinc/66/91/10/1026669110.db2.gz NDFIHMSWPOVCRF-ZCFIWIBFSA-N -1 0 318.311 -0.773 20 0 DBADRM COC(=O)c1ccc(CNC(=O)[C@@H](O)CC(=O)[O-])cc1OC ZINC001573940554 1026669135 /nfs/dbraw/zinc/66/91/35/1026669135.db2.gz FXBLWWBDTWUQAS-JTQLQIEISA-N -1 0 311.290 -0.066 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001573935361 1026669994 /nfs/dbraw/zinc/66/99/94/1026669994.db2.gz SBWJRVHJHGOQMT-URNOHEEXSA-N -1 0 317.363 -0.380 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C(=O)[O-])no1 ZINC001573935261 1026670075 /nfs/dbraw/zinc/67/00/75/1026670075.db2.gz MZPNAPBEOCRYIZ-WDSKDSINSA-N -1 0 313.266 -0.831 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)CCCC(=O)[O-])C[C@@H](C)O1 ZINC001573935330 1026670146 /nfs/dbraw/zinc/67/01/46/1026670146.db2.gz QZFQRBDGAMOJMB-BDAKNGLRSA-N -1 0 309.340 -0.557 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-])n[nH]1 ZINC001573938702 1026670161 /nfs/dbraw/zinc/67/01/61/1026670161.db2.gz PJJDOOUWQJEDOM-WDSKDSINSA-N -1 0 305.312 -0.416 20 0 DBADRM COC(=O)c1cccn(CC(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c1=O ZINC001573942032 1026671309 /nfs/dbraw/zinc/67/13/09/1026671309.db2.gz NEISDWXMVHUQDL-BDAKNGLRSA-N -1 0 310.306 -0.140 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@@H](C)c1nc(C(=O)[O-])n[nH]1)C1CC1 ZINC001573947989 1026671588 /nfs/dbraw/zinc/67/15/88/1026671588.db2.gz GCLOZADGLPYSMU-POYBYMJQSA-N -1 0 318.355 -0.092 20 0 DBADRM CO[C@@]1(C(=O)Nc2cc(C(=O)[O-])n[nH]2)CCS(=O)(=O)C1 ZINC001573947743 1026671659 /nfs/dbraw/zinc/67/16/59/1026671659.db2.gz BZORMLOSBAORIQ-JTQLQIEISA-N -1 0 303.296 -0.750 20 0 DBADRM COC(=O)c1coc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)c1 ZINC001573949059 1026673326 /nfs/dbraw/zinc/67/33/26/1026673326.db2.gz XRSCJWKEKSBTRC-DTWKUNHWSA-N -1 0 312.278 -0.233 20 0 DBADRM CO[C@H]1CN(C(=O)Nc2ncn(CC(=O)[O-])n2)[C@@](C)(CO)C1 ZINC001573956144 1026673890 /nfs/dbraw/zinc/67/38/90/1026673890.db2.gz AFKBXQDVJVYCRC-PRHODGIISA-N -1 0 313.314 -0.634 20 0 DBADRM COC(=O)c1cnn(CC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)c1 ZINC001573948052 1026673990 /nfs/dbraw/zinc/67/39/90/1026673990.db2.gz OWLVGLYMYSDNDY-JFGNBEQYSA-N -1 0 307.306 -0.151 20 0 DBADRM CO[C@@]1(C(=O)NCc2cc(C(=O)[O-])no2)CCS(=O)(=O)C1 ZINC001573950272 1026674420 /nfs/dbraw/zinc/67/44/20/1026674420.db2.gz ZUVWNRCVURTADD-NSHDSACASA-N -1 0 318.307 -0.807 20 0 DBADRM CO[C@H]1CN(C(=O)Nc2ccn(CC(=O)[O-])n2)[C@](C)(CO)C1 ZINC001573957402 1026676037 /nfs/dbraw/zinc/67/60/37/1026676037.db2.gz QSGOATLGNQFERA-RNCFNFMXSA-N -1 0 312.326 -0.029 20 0 DBADRM CO[C@H]1CN(C(=O)Nc2ccn(CC(=O)[O-])n2)[C@@](C)(CO)C1 ZINC001573957401 1026676299 /nfs/dbraw/zinc/67/62/99/1026676299.db2.gz QSGOATLGNQFERA-NOZJJQNGSA-N -1 0 312.326 -0.029 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C(=O)COCc1nncn1C)C1CC1 ZINC001573967433 1026678744 /nfs/dbraw/zinc/67/87/44/1026678744.db2.gz VXEPEIDERFWHND-JTQLQIEISA-N -1 0 312.326 -0.578 20 0 DBADRM CCc1ocnc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001573970321 1026680941 /nfs/dbraw/zinc/68/09/41/1026680941.db2.gz JUACXAZDUAYGNP-SSDOTTSWSA-N -1 0 302.308 -0.439 20 0 DBADRM CCn1cc(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)c(=O)[nH]c1=O ZINC001573971364 1026681093 /nfs/dbraw/zinc/68/10/93/1026681093.db2.gz RDIQRALPMGXSKR-CYBMUJFWSA-N -1 0 311.294 -0.781 20 0 DBADRM COCC1(S(=O)(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)CC1 ZINC001573973710 1026682024 /nfs/dbraw/zinc/68/20/24/1026682024.db2.gz DSJFXRFHTVTHFY-IUCAKERBSA-N -1 0 308.356 -0.945 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2C[C@H](C(N)=O)C2)C1 ZINC001573974211 1026682152 /nfs/dbraw/zinc/68/21/52/1026682152.db2.gz IWRIMQRYFRJXBD-GPCCPHFNSA-N -1 0 313.354 -0.227 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)OCC(F)(F)F)C(=O)[O-] ZINC001573984918 1026683457 /nfs/dbraw/zinc/68/34/57/1026683457.db2.gz CDOHSHRUVGSNRH-YFKPBYRVSA-N -1 0 302.205 -0.509 20 0 DBADRM CN(C)C(=O)NC1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001573983459 1026684132 /nfs/dbraw/zinc/68/41/32/1026684132.db2.gz SRUJAAOPHARFCU-JTQLQIEISA-N -1 0 312.326 -0.522 20 0 DBADRM COCC[C@@H](NC(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)C(N)=O ZINC001573977348 1026684358 /nfs/dbraw/zinc/68/43/58/1026684358.db2.gz BPDKLTGPJKSJMW-RITPCOANSA-N -1 0 315.248 -0.418 20 0 DBADRM COCCS(=O)(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001573985177 1026684291 /nfs/dbraw/zinc/68/42/91/1026684291.db2.gz MVPHCTVHSOCPGV-SFHVURJKSA-N -1 0 313.397 -0.740 20 0 DBADRM COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)[O-] ZINC001573986569 1026686742 /nfs/dbraw/zinc/68/67/42/1026686742.db2.gz XZUSGQOXOYHNKP-SFYZADRCSA-N -1 0 306.315 -0.912 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)NCCC(C)(C)C(=O)[O-] ZINC001573991438 1026686806 /nfs/dbraw/zinc/68/68/06/1026686806.db2.gz ILALLWFFHAFPAG-SFHVURJKSA-N -1 0 315.417 -0.104 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573992371 1026687308 /nfs/dbraw/zinc/68/73/08/1026687308.db2.gz OLPKKHFWRABDDQ-LNFKQOIKSA-N -1 0 317.342 -0.940 20 0 DBADRM CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001573992849 1026687659 /nfs/dbraw/zinc/68/76/59/1026687659.db2.gz LTBQIZKYWJSGTB-ISVAXAHUSA-N -1 0 320.342 -0.522 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])CC2 ZINC001573993316 1026687938 /nfs/dbraw/zinc/68/79/38/1026687938.db2.gz PQRHDIRGIUENJH-KXUCPTDWSA-N -1 0 308.338 -0.034 20 0 DBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001573992485 1026688858 /nfs/dbraw/zinc/68/88/58/1026688858.db2.gz QXURBOILUKNNNO-KXUCPTDWSA-N -1 0 308.356 -0.969 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC001574003707 1026688956 /nfs/dbraw/zinc/68/89/56/1026688956.db2.gz FNALWMZLTLWJLM-KWQFWETISA-N -1 0 312.297 -0.104 20 0 DBADRM COc1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccncc2)ncn1 ZINC001574012818 1026689893 /nfs/dbraw/zinc/68/98/93/1026689893.db2.gz WLGYFYJRIXJZPO-RYUDHWBXSA-N -1 0 318.289 -0.203 20 0 DBADRM COc1cc(OC)nc(C(=O)N2CCO[C@](C)(C(=O)[O-])C2)n1 ZINC001574025789 1026690756 /nfs/dbraw/zinc/69/07/56/1026690756.db2.gz ATIUHSIZDQJHMG-ZDUSSCGKSA-N -1 0 311.294 -0.191 20 0 DBADRM COc1cc(CS(=O)(=O)NC[C@](C)(O)C(=O)[O-])sn1 ZINC001574014394 1026690925 /nfs/dbraw/zinc/69/09/25/1026690925.db2.gz CVTDCXRKJIVURY-VIFPVBQESA-N -1 0 310.353 -0.593 20 0 DBADRM COc1cc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)sn1 ZINC001574012478 1026690943 /nfs/dbraw/zinc/69/09/43/1026690943.db2.gz MKVVVOQUOYCFNM-RQJHMYQMSA-N -1 0 301.324 -0.148 20 0 DBADRM COc1cc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)n(C)n1 ZINC001574025853 1026691049 /nfs/dbraw/zinc/69/10/49/1026691049.db2.gz CIUWFAHVZULELU-YUMQZZPRSA-N -1 0 313.314 -0.479 20 0 DBADRM COc1cc(COCC(=O)N(CC(N)=O)CC(=O)[O-])ccn1 ZINC001574014418 1026691092 /nfs/dbraw/zinc/69/10/92/1026691092.db2.gz FSQLPIUMPZZPPS-UHFFFAOYSA-N -1 0 311.294 -0.995 20 0 DBADRM CN1CCn2c(CCNC(=O)CCCCC(=O)[O-])nnc2C1=O ZINC001574031814 1026692020 /nfs/dbraw/zinc/69/20/20/1026692020.db2.gz IKLJQLALBDBZRO-UHFFFAOYSA-N -1 0 323.353 -0.333 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)c1cnnn1C)C[C@@H]2C(=O)[O-] ZINC001574046164 1026692340 /nfs/dbraw/zinc/69/23/40/1026692340.db2.gz AZAQBJLEXVGNOK-ZYTOWTHASA-N -1 0 322.321 -0.459 20 0 DBADRM CNC(=O)c1cccc(C(=O)N(CCC(=O)OC)CC(=O)[O-])n1 ZINC001574039066 1026692408 /nfs/dbraw/zinc/69/24/08/1026692408.db2.gz NPIRXZIYVZGCBO-UHFFFAOYSA-N -1 0 323.305 -0.469 20 0 DBADRM COc1ccc(COCC(=O)NCc2nc(C(=O)[O-])n[nH]2)cn1 ZINC001574035443 1026692454 /nfs/dbraw/zinc/69/24/54/1026692454.db2.gz UEPGIWJLMSCNBH-UHFFFAOYSA-N -1 0 321.293 -0.261 20 0 DBADRM CNc1cnc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cn1 ZINC001574038326 1026693488 /nfs/dbraw/zinc/69/34/88/1026693488.db2.gz QLYUADGBBILAGT-SECBINFHSA-N -1 0 321.337 -0.286 20 0 DBADRM COc1cnc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)c(F)c1 ZINC001574052269 1026694469 /nfs/dbraw/zinc/69/44/69/1026694469.db2.gz KDDGEQULODHDGB-OIBJUYFYSA-N -1 0 313.285 -0.070 20 0 DBADRM COc1nnc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)s1 ZINC001574053691 1026694537 /nfs/dbraw/zinc/69/45/37/1026694537.db2.gz DIPHTPCQXNMANK-PHDIDXHHSA-N -1 0 317.327 -0.361 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001574047028 1026694550 /nfs/dbraw/zinc/69/45/50/1026694550.db2.gz RQYKPGAIRDIXHU-AATLWQCWSA-N -1 0 300.311 -0.585 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001574047614 1026694774 /nfs/dbraw/zinc/69/47/74/1026694774.db2.gz WHYJQLAHMDQQNH-CYBMUJFWSA-N -1 0 301.295 -0.996 20 0 DBADRM COc1nn(C)cc1NC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001574053735 1026694836 /nfs/dbraw/zinc/69/48/36/1026694836.db2.gz DNHKROGHXACGOY-YUMQZZPRSA-N -1 0 313.314 -0.479 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001574046940 1026694971 /nfs/dbraw/zinc/69/49/71/1026694971.db2.gz RAGGQAOWYYLVSE-HGNGGELXSA-N -1 0 314.294 -0.605 20 0 DBADRM COc1nnc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)s1 ZINC001574053689 1026695012 /nfs/dbraw/zinc/69/50/12/1026695012.db2.gz DIPHTPCQXNMANK-NTSWFWBYSA-N -1 0 317.327 -0.361 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)[C@@H]1CCNC1=O)C[C@H]2C(=O)[O-] ZINC001574048207 1026695029 /nfs/dbraw/zinc/69/50/29/1026695029.db2.gz YGPRBGMHFDLXOZ-XJGHLBKUSA-N -1 0 324.333 -0.765 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)NC[C@H](C)C(=O)[O-])C1=O ZINC001574047059 1026695206 /nfs/dbraw/zinc/69/52/06/1026695206.db2.gz JXLOUHRGTNKEPI-IUCAKERBSA-N -1 0 300.311 -0.765 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1cccc(C(N)=O)n1 ZINC001574056475 1026696211 /nfs/dbraw/zinc/69/62/11/1026696211.db2.gz NDYGBPQCQRVGJO-UHFFFAOYSA-N -1 0 309.278 -0.730 20 0 DBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC001574056320 1026696756 /nfs/dbraw/zinc/69/67/56/1026696756.db2.gz ROAVKEOKWILCGQ-JTQLQIEISA-N -1 0 321.289 -0.764 20 0 DBADRM CS(=O)(=O)C1(C(=O)[O-])CCN(C(=O)c2cccnn2)CC1 ZINC001574057192 1026697158 /nfs/dbraw/zinc/69/71/58/1026697158.db2.gz IXOJCBKDNMPYFD-UHFFFAOYSA-N -1 0 313.335 -0.419 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574055266 1026697336 /nfs/dbraw/zinc/69/73/36/1026697336.db2.gz NVOZFYXKSMSXEI-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001574059361 1026698154 /nfs/dbraw/zinc/69/81/54/1026698154.db2.gz JCSXZBNPMHXUIK-KYXWUPHJSA-N -1 0 304.368 -0.459 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C1 ZINC001574059243 1026698202 /nfs/dbraw/zinc/69/82/02/1026698202.db2.gz FNAXMHYERCTSHW-KXUCPTDWSA-N -1 0 302.352 -0.943 20 0 DBADRM CS(=O)(=O)CC1(C(=O)NCc2ccc(C(=O)[O-])o2)COC1 ZINC001574057751 1026698416 /nfs/dbraw/zinc/69/84/16/1026698416.db2.gz XTIKTOSMCSYBSS-UHFFFAOYSA-N -1 0 317.319 -0.345 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccncc1 ZINC001574057756 1026698435 /nfs/dbraw/zinc/69/84/35/1026698435.db2.gz YGKBGEHSRYSBBW-GHMZBOCLSA-N -1 0 316.335 -0.881 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@H](NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC001574059256 1026698591 /nfs/dbraw/zinc/69/85/91/1026698591.db2.gz FYSQOGIYVQBEMB-IWSPIJDZSA-N -1 0 305.356 -0.387 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@@H](CC(=O)[O-])c1ccncc1 ZINC001574059122 1026698624 /nfs/dbraw/zinc/69/86/24/1026698624.db2.gz DUGPRXLLGNREAT-JTQLQIEISA-N -1 0 315.351 -0.347 20 0 DBADRM CS(=O)(=O)Nc1cc(NC(=O)[C@@H](O)CC(=O)[O-])ccc1F ZINC001574059117 1026698859 /nfs/dbraw/zinc/69/88/59/1026698859.db2.gz DNWKWVWXRVDVEV-VIFPVBQESA-N -1 0 320.298 -0.029 20 0 DBADRM CS(=O)(=O)c1ccc(NCC(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC001574059961 1026699922 /nfs/dbraw/zinc/69/99/22/1026699922.db2.gz UNIBJTHDYLBZER-SNVBAGLBSA-N -1 0 316.335 -0.936 20 0 DBADRM CS(=O)(=O)c1cc(NC(=O)CCC(N)=O)cc(C(=O)[O-])c1 ZINC001574060215 1026700096 /nfs/dbraw/zinc/70/00/96/1026700096.db2.gz ZWGCMOOFCGOOKK-UHFFFAOYSA-N -1 0 314.319 -0.008 20 0 DBADRM CS(=O)(=O)NCCC(=O)Nc1[nH]nc(C(=O)[O-])c1C1CC1 ZINC001574059925 1026700506 /nfs/dbraw/zinc/70/05/06/1026700506.db2.gz TZDUCPKRTALGPP-UHFFFAOYSA-N -1 0 316.339 -0.137 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1Cc1c(C(=O)[O-])cnn1C ZINC001574066598 1026700705 /nfs/dbraw/zinc/70/07/05/1026700705.db2.gz WKXGJHGHRHCNAD-JTQLQIEISA-N -1 0 324.337 -0.628 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)C1(C(=O)[O-])CC=CC1 ZINC001574061571 1026700949 /nfs/dbraw/zinc/70/09/49/1026700949.db2.gz OHCMFLSDGZMJOV-UHFFFAOYSA-N -1 0 312.322 -0.407 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)C1CCC(=O)CC1 ZINC001574060993 1026701008 /nfs/dbraw/zinc/70/10/08/1026701008.db2.gz CQOIAIBNYXGIFL-UHFFFAOYSA-N -1 0 321.351 -0.222 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@H](NC(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001574059899 1026701532 /nfs/dbraw/zinc/70/15/32/1026701532.db2.gz SOFZFRPVMRXJBC-ZKCHVHJHSA-N -1 0 316.339 -0.335 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001574097090 1026702339 /nfs/dbraw/zinc/70/23/39/1026702339.db2.gz HQROOTLNUUWJGT-JHTDMNASSA-N -1 0 302.396 -0.380 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N(C)CCC(=O)[O-] ZINC001574077530 1026702524 /nfs/dbraw/zinc/70/25/24/1026702524.db2.gz VBBVASWSVWQILT-YUMQZZPRSA-N -1 0 303.315 -0.831 20 0 DBADRM COC(=O)c1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1C ZINC001574084699 1026703055 /nfs/dbraw/zinc/70/30/55/1026703055.db2.gz BLLFZOWINHDEOW-VFZGTOFNSA-N -1 0 322.317 -0.015 20 0 DBADRM CSC[C@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC001574096617 1026703103 /nfs/dbraw/zinc/70/31/03/1026703103.db2.gz PXIDXIOHNQYFPL-VGMNWLOBSA-N -1 0 304.368 -0.268 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(CCCS(C)(=O)=O)CC1 ZINC001574096896 1026703578 /nfs/dbraw/zinc/70/35/78/1026703578.db2.gz GPQORAKFLKLXPA-SFHVURJKSA-N -1 0 311.425 -0.281 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)C1(C(=O)[O-])CCOCC1 ZINC001574077354 1026703701 /nfs/dbraw/zinc/70/37/01/1026703701.db2.gz QLHZGBDHTIHYNI-NXEZZACHSA-N -1 0 315.322 -0.438 20 0 DBADRM CSC[C@H](NS(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-] ZINC001574096353 1026703858 /nfs/dbraw/zinc/70/38/58/1026703858.db2.gz IHDPBYFJOFCSKU-VIFPVBQESA-N -1 0 318.376 -0.120 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ncc(C(=O)[O-])n1C ZINC001574104379 1026704362 /nfs/dbraw/zinc/70/43/62/1026704362.db2.gz DSUPGWDJKZUAAA-RQJHMYQMSA-N -1 0 316.339 -0.327 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(S(=O)(=O)N2CCC2)CC1 ZINC001574098240 1026704929 /nfs/dbraw/zinc/70/49/29/1026704929.db2.gz ZUXXSAJQBVUTFL-GOSISDBHSA-N -1 0 310.397 -0.765 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(S(=O)(=O)C2COC2)CC1 ZINC001574098195 1026704970 /nfs/dbraw/zinc/70/49/70/1026704970.db2.gz YXRFSJKNTYDQMN-SFHVURJKSA-N -1 0 311.381 -0.987 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC001574101728 1026705375 /nfs/dbraw/zinc/70/53/75/1026705375.db2.gz MYJPWQXRCUUBMK-XCBNKYQSSA-N -1 0 316.335 -0.389 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC001574098189 1026705450 /nfs/dbraw/zinc/70/54/50/1026705450.db2.gz YOJGTVXAHPHFCF-YUMQZZPRSA-N -1 0 314.385 -0.572 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001574113684 1026706750 /nfs/dbraw/zinc/70/67/50/1026706750.db2.gz QTZRVOWRXUOOEW-UHFFFAOYSA-N -1 0 307.266 -0.341 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CC[C@@H](C(=O)Nc2cn[nH]c2)C1 ZINC001574106574 1026707339 /nfs/dbraw/zinc/70/73/39/1026707339.db2.gz YRYSAUYYNFTFIU-AMIZOPFISA-N -1 0 310.310 -0.314 20 0 DBADRM Cc1n[nH]c(CN2CCN3CCOC[C@]3(CO)C2)c1C(=O)[O-] ZINC001574113104 1026707646 /nfs/dbraw/zinc/70/76/46/1026707646.db2.gz KVQYABKAQWKRJG-CQSZACIVSA-N -1 0 310.354 -0.705 20 0 DBADRM C[C@]12CN(Cc3nc(C(=O)[O-])no3)C[C@H]1CS(=O)(=O)C2 ZINC001574112125 1026707715 /nfs/dbraw/zinc/70/77/15/1026707715.db2.gz IDKJCMQMUUQZBM-WRWORJQWSA-N -1 0 301.324 -0.366 20 0 DBADRM C[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1CS(N)(=O)=O ZINC001574105724 1026707743 /nfs/dbraw/zinc/70/77/43/1026707743.db2.gz XCQRTWXERIKCTH-SFYZADRCSA-N -1 0 300.340 -0.464 20 0 DBADRM CO[C@]1(CNC(=O)N(C)CCCC(=O)[O-])CCS(=O)(=O)C1 ZINC001574119930 1026710248 /nfs/dbraw/zinc/71/02/48/1026710248.db2.gz KGOHDMADGCBKDC-LBPRGKRZSA-N -1 0 322.383 -0.304 20 0 DBADRM Cc1c(CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)cnn1C ZINC001574121148 1026709215 /nfs/dbraw/zinc/70/92/15/1026709215.db2.gz JXAYQUVKZUWLID-WDEREUQCSA-N -1 0 311.342 -0.502 20 0 DBADRM Cc1c(C(=O)[O-])n[nH]c1NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001574117875 1026709511 /nfs/dbraw/zinc/70/95/11/1026709511.db2.gz ARIZANHODIPQKZ-UHFFFAOYSA-N -1 0 321.297 -0.652 20 0 DBADRM Cc1c(C(=O)[O-])n[nH]c1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001574120770 1026710153 /nfs/dbraw/zinc/71/01/53/1026710153.db2.gz WLPFKWNQVDUIEK-UHFFFAOYSA-N -1 0 307.266 -0.934 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001574127499 1026711212 /nfs/dbraw/zinc/71/12/12/1026711212.db2.gz MLQDMYLEYFFBOC-IVZWLZJFSA-N -1 0 306.322 -0.094 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NC[C@H]2C[C@H]2C(=O)OC)C1 ZINC001574131950 1026711399 /nfs/dbraw/zinc/71/13/99/1026711399.db2.gz XOTSAQKGWNJMQL-RULNRJAQSA-N -1 0 314.338 -0.072 20 0 DBADRM Cc1cc(C)c(C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])c(=O)o1 ZINC001574129452 1026711691 /nfs/dbraw/zinc/71/16/91/1026711691.db2.gz PQRICZHONIVKNQ-RKDXNWHRSA-N -1 0 310.306 -0.036 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2ccc3n[nH]nc3n2)CCO1 ZINC001574145583 1026712989 /nfs/dbraw/zinc/71/29/89/1026712989.db2.gz GQCVZLIGIZMSCQ-CYBMUJFWSA-N -1 0 321.293 -0.705 20 0 DBADRM COCCOCCC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001574163027 1026715624 /nfs/dbraw/zinc/71/56/24/1026715624.db2.gz BDGUPAMLNJBZBP-ZDUSSCGKSA-N -1 0 305.327 -0.632 20 0 DBADRM Cc1nnc(CC(=O)N2CCC[C@@H]2c2n[nH]nc2C(=O)[O-])[nH]1 ZINC001574178617 1026717203 /nfs/dbraw/zinc/71/72/03/1026717203.db2.gz KKZIWJDDDFQMIA-SSDOTTSWSA-N -1 0 305.298 -0.164 20 0 DBADRM Cc1n[nH]c(=O)c(C(=O)N2C[C@@H](C(=O)[O-])C3(COC3)C2)c1C ZINC001574178467 1026717597 /nfs/dbraw/zinc/71/75/97/1026717597.db2.gz IDHKUNUIEFNQEQ-VIFPVBQESA-N -1 0 307.306 -0.028 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])CC2 ZINC001574169129 1026717896 /nfs/dbraw/zinc/71/78/96/1026717896.db2.gz PQRHDIRGIUENJH-IVZWLZJFSA-N -1 0 308.338 -0.034 20 0 DBADRM Cc1cncn1CC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001574179328 1026718588 /nfs/dbraw/zinc/71/85/88/1026718588.db2.gz HSDXFHRZRARIHV-CHWSQXEVSA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1nc(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001574181656 1026719249 /nfs/dbraw/zinc/71/92/49/1026719249.db2.gz CVPNLXDTCAHAKG-MRVPVSSYSA-N -1 0 320.313 -0.434 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCC2(O)CCC2)c1C(=O)[O-] ZINC001574181660 1026719991 /nfs/dbraw/zinc/71/99/91/1026719991.db2.gz CXMNFRULJRHBJX-UHFFFAOYSA-N -1 0 303.340 0.000 20 0 DBADRM Cc1nc(C(=O)N[C@H](CC2CC2)C(=O)[O-])nn1-c1nc[nH]n1 ZINC001574183193 1026720156 /nfs/dbraw/zinc/72/01/56/1026720156.db2.gz ZSAIIUYLTCFMIZ-MRVPVSSYSA-N -1 0 305.298 -0.323 20 0 DBADRM Cc1conc1CS(=O)(=O)N1C[C@H](C(=O)[O-])C2(COC2)C1 ZINC001574180883 1026720367 /nfs/dbraw/zinc/72/03/67/1026720367.db2.gz XBPZHTPIVAHECG-SECBINFHSA-N -1 0 316.335 -0.154 20 0 DBADRM Cc1nnc(CNS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])n1C ZINC001574183128 1026720709 /nfs/dbraw/zinc/72/07/09/1026720709.db2.gz WZZUXPYTBAHMND-UHFFFAOYSA-N -1 0 314.327 -0.668 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC2CC(CCO)C2)c1C(=O)[O-] ZINC001574182856 1026720728 /nfs/dbraw/zinc/72/07/28/1026720728.db2.gz SBZGHGBTZFCMOI-UHFFFAOYSA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1nc(CCC(=O)[O-])cc(NC[C@H](C)S(N)(=O)=O)n1 ZINC001574188034 1026721345 /nfs/dbraw/zinc/72/13/45/1026721345.db2.gz OPYQPNKTXQBYLC-ZETCQYMHSA-N -1 0 302.356 -0.109 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@@H](C(=O)N[C@H](CO)CC(=O)[O-])C1 ZINC001574198062 1026721887 /nfs/dbraw/zinc/72/18/87/1026721887.db2.gz LLWCIBROUZTMKP-GZMMTYOYSA-N -1 0 310.310 -0.827 20 0 DBADRM Cc1ncc(CC(=O)N2CCC(C(=O)NCC(=O)[O-])CC2)o1 ZINC001574192017 1026721994 /nfs/dbraw/zinc/72/19/94/1026721994.db2.gz NGIZGBSHQUKHBX-UHFFFAOYSA-N -1 0 309.322 -0.035 20 0 DBADRM Cc1noc(CCNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001574198303 1026723954 /nfs/dbraw/zinc/72/39/54/1026723954.db2.gz SFQHMRYZMJWIEF-RKDXNWHRSA-N -1 0 313.314 -0.810 20 0 DBADRM Cc1nnc(N2CCN(C(=O)[O-])CC2)n1C[C@@H]1COCCO1 ZINC001574199500 1026725235 /nfs/dbraw/zinc/72/52/35/1026725235.db2.gz CDAOGRPCINYAHJ-LLVKDONJSA-N -1 0 311.342 -0.198 20 0 DBADRM CC1SC(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)=NC1=O ZINC001574208238 1026725686 /nfs/dbraw/zinc/72/56/86/1026725686.db2.gz XISZPCLYWSBPIF-NKWVEPMBSA-N -1 0 301.324 -0.142 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001574207835 1026726627 /nfs/dbraw/zinc/72/66/27/1026726627.db2.gz CQXUYVSAGZQMPD-HTQZYQBOSA-N -1 0 319.339 -0.134 20 0 DBADRM Cc1onc(CN2CCN3CCOC[C@]3(CO)C2)c1C(=O)[O-] ZINC001574208259 1026727126 /nfs/dbraw/zinc/72/71/26/1026727126.db2.gz XWNKEZAJKUDXIT-CQSZACIVSA-N -1 0 311.338 -0.440 20 0 DBADRM Cn1c(CNC(=O)[C@H](O)CC(=O)[O-])cc(=O)n1-c1ccccc1 ZINC001574210100 1026727452 /nfs/dbraw/zinc/72/74/52/1026727452.db2.gz YBXIZCNHQWULLR-GFCCVEGCSA-N -1 0 319.317 -0.372 20 0 DBADRM Cn1cc(CNC(=O)N2CC([C@@H](F)C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001574212801 1026727945 /nfs/dbraw/zinc/72/79/45/1026727945.db2.gz RWQVKHIDDNCJJM-MRVPVSSYSA-N -1 0 314.273 -0.950 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)CC2(C(=O)[O-])CCOCC2)cn1 ZINC001574212115 1026728342 /nfs/dbraw/zinc/72/83/42/1026728342.db2.gz JJVDHEXHSZYXPT-LLVKDONJSA-N -1 0 311.338 -0.159 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N2CC[C@@H](c3n[nH]cc3C(=O)[O-])C2)cn1 ZINC001574213092 1026728353 /nfs/dbraw/zinc/72/83/53/1026728353.db2.gz WBHMKAKCLLSNRF-PRHODGIISA-N -1 0 319.321 -0.109 20 0 DBADRM Cn1cc(CC(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)cn1 ZINC001574212457 1026728715 /nfs/dbraw/zinc/72/87/15/1026728715.db2.gz NTJPKOLKMDHXOT-CHWSQXEVSA-N -1 0 304.306 -0.339 20 0 DBADRM Cn1cc(NC(=O)N[C@@H](CO)CC2OCCO2)c(C(=O)[O-])c1 ZINC001574213572 1026729161 /nfs/dbraw/zinc/72/91/61/1026729161.db2.gz MNDLJIRCSKCYOE-MRVPVSSYSA-N -1 0 313.310 -0.031 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N2CC[C@H](c3n[nH]cc3C(=O)[O-])C2)cn1 ZINC001574213093 1026729240 /nfs/dbraw/zinc/72/92/40/1026729240.db2.gz WBHMKAKCLLSNRF-QPUJVOFHSA-N -1 0 319.321 -0.109 20 0 DBADRM CC(C)CNC(=O)NC(=O)Cn1ccc(-c2nnn[n-]2)cc1=O ZINC001574218438 1026729438 /nfs/dbraw/zinc/72/94/38/1026729438.db2.gz GSRVIUTWTOTTQM-UHFFFAOYSA-N -1 0 319.325 -0.490 20 0 DBADRM Cn1cc(CNC(=O)N[C@H]2CCN(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001574212440 1026729563 /nfs/dbraw/zinc/72/95/63/1026729563.db2.gz MTLFYDIFSWEBOP-QMMMGPOBSA-N -1 0 311.298 -0.963 20 0 DBADRM Cn1ccc(CC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)n1 ZINC001574224973 1026730081 /nfs/dbraw/zinc/73/00/81/1026730081.db2.gz ULENNMRFOVTFRG-OLZOCXBDSA-N -1 0 304.306 -0.339 20 0 DBADRM Cn1cnc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccncc2)cc1=O ZINC001574221332 1026730133 /nfs/dbraw/zinc/73/01/33/1026730133.db2.gz OCMYCLNMVQSHMU-NEPJUHHUSA-N -1 0 318.289 -0.908 20 0 DBADRM Cn1cnc(CCNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC001574220757 1026730540 /nfs/dbraw/zinc/73/05/40/1026730540.db2.gz HFZGQIWVYBWIGG-SNVBAGLBSA-N -1 0 302.356 -0.654 20 0 DBADRM Cn1ccn2c(CNC(=O)CC(C)(C)CC(=O)[O-])nnc2c1=O ZINC001574224637 1026730793 /nfs/dbraw/zinc/73/07/93/1026730793.db2.gz OBDOZUCYKZCVCN-UHFFFAOYSA-N -1 0 321.337 -0.065 20 0 DBADRM Cn1cnc(NC(=O)N2C[C@H](C(=O)[O-])C3(COC3)C2)cc1=O ZINC001574221892 1026730973 /nfs/dbraw/zinc/73/09/73/1026730973.db2.gz ZRSWQFVQGXOZSR-MRVPVSSYSA-N -1 0 308.294 -0.655 20 0 DBADRM Cn1cnnc1S(=O)(=O)N1CCc2occc2[C@@H]1C(=O)[O-] ZINC001574221470 1026731062 /nfs/dbraw/zinc/73/10/62/1026731062.db2.gz QVOHJMDPZFGWAH-SECBINFHSA-N -1 0 312.307 -0.219 20 0 DBADRM Cn1cnc(CCNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)c1 ZINC001574221746 1026731312 /nfs/dbraw/zinc/73/13/12/1026731312.db2.gz XXNXKSARLPZIOB-GXSJLCMTSA-N -1 0 311.342 -0.768 20 0 DBADRM Cn1cnnc1[C@@H]1CCN(S(=O)(=O)C2(CC(=O)[O-])CC2)C1 ZINC001574221339 1026731383 /nfs/dbraw/zinc/73/13/83/1026731383.db2.gz OMTVNEXRQGFYPV-SECBINFHSA-N -1 0 314.367 -0.059 20 0 DBADRM Cn1cnn(CCC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)c1=O ZINC001574221834 1026731586 /nfs/dbraw/zinc/73/15/86/1026731586.db2.gz ZJVGAFARLLFZNQ-VIFPVBQESA-N -1 0 310.232 -0.506 20 0 DBADRM Cn1cccc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccncc2)c1=O ZINC001574224953 1026731599 /nfs/dbraw/zinc/73/15/99/1026731599.db2.gz SUFOECYQPYGRKR-NEPJUHHUSA-N -1 0 317.301 -0.303 20 0 DBADRM Cn1cc(NC(=O)NCc2cn(C)c(=O)[nH]c2=O)cc1C(=O)[O-] ZINC001574220805 1026731868 /nfs/dbraw/zinc/73/18/68/1026731868.db2.gz QZXUDBZXQAMECF-UHFFFAOYSA-N -1 0 321.293 -0.156 20 0 DBADRM Cn1nc(C(=O)N2CCC[C@H]2c2n[nH]nc2C(=O)[O-])ccc1=O ZINC001574226444 1026732313 /nfs/dbraw/zinc/73/23/13/1026732313.db2.gz GFOPJZJEQUHYPW-QMMMGPOBSA-N -1 0 318.293 -0.426 20 0 DBADRM Cn1ncc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1C(F)(F)F ZINC001574228697 1026732426 /nfs/dbraw/zinc/73/24/26/1026732426.db2.gz NNXFSBRNVCVSJF-BYPYZUCNSA-N -1 0 317.245 -0.837 20 0 DBADRM Cn1nnc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)n1 ZINC001574229086 1026733128 /nfs/dbraw/zinc/73/31/28/1026733128.db2.gz UAQUYUHYQPLIIA-RFZPGFLSSA-N -1 0 308.220 -0.063 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC001574229303 1026734076 /nfs/dbraw/zinc/73/40/76/1026734076.db2.gz ZALGAPDZNLENKT-VIFPVBQESA-N -1 0 309.326 -0.765 20 0 DBADRM COc1nn(C)cc1CNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001574244372 1026734578 /nfs/dbraw/zinc/73/45/78/1026734578.db2.gz JLKMINFOAWQCEK-UHFFFAOYSA-N -1 0 320.305 -0.395 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)c2cc(C(=O)[O-])n[nH]2)CCC1 ZINC001574242528 1026734987 /nfs/dbraw/zinc/73/49/87/1026734987.db2.gz NAUDGCLSLMZRGX-UHFFFAOYSA-N -1 0 301.324 -0.195 20 0 DBADRM NC(=O)C12CCC(CC1)N2S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001574247973 1026735495 /nfs/dbraw/zinc/73/54/95/1026735495.db2.gz GWEDLYFVWBDPPK-UHFFFAOYSA-N -1 0 314.323 -0.721 20 0 DBADRM COc1ccnc(N(C)C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001574238078 1026735757 /nfs/dbraw/zinc/73/57/57/1026735757.db2.gz HVRLRNSUUPYJKQ-SECBINFHSA-N -1 0 322.321 -0.229 20 0 DBADRM COc1cncc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001574238564 1026735874 /nfs/dbraw/zinc/73/58/74/1026735874.db2.gz VZCMNLHWYVPIPD-SECBINFHSA-N -1 0 322.321 -0.319 20 0 DBADRM CS(=O)(=O)CC1(C(=O)Nc2ccc(C(=O)[O-])cn2)COC1 ZINC001574243618 1026735959 /nfs/dbraw/zinc/73/59/59/1026735959.db2.gz YRCYGMQNHPDEGP-UHFFFAOYSA-N -1 0 314.319 -0.221 20 0 DBADRM NC(=O)C[C@H]1COCCN1C(=O)CC1(C(=O)[O-])CCOCC1 ZINC001574249441 1026737569 /nfs/dbraw/zinc/73/75/69/1026737569.db2.gz PNEIJPVIIRTMFW-JTQLQIEISA-N -1 0 314.338 -0.639 20 0 DBADRM NC(=O)C1(CNS(=O)(=O)C2(C(=O)[O-])CCC2)CCCC1 ZINC001574248916 1026737648 /nfs/dbraw/zinc/73/76/48/1026737648.db2.gz NVUQAFKGYKSTIX-UHFFFAOYSA-N -1 0 304.368 -0.041 20 0 DBADRM NC(=O)C1(O)CN(C(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC001574248911 1026737726 /nfs/dbraw/zinc/73/77/26/1026737726.db2.gz NTCOBFPXKLTFPS-UHFFFAOYSA-N -1 0 309.278 -0.786 20 0 DBADRM NC(=O)C[C@@H]1CN(Cc2cnc3c(C(=O)[O-])cnn3c2)CCO1 ZINC001574250136 1026738560 /nfs/dbraw/zinc/73/85/60/1026738560.db2.gz XQAANJNDZISAIR-SNVBAGLBSA-N -1 0 319.321 -0.496 20 0 DBADRM NC(=O)CSCC(=O)N1CCC[C@H]1c1n[nH]nc1C(=O)[O-] ZINC001574255115 1026739961 /nfs/dbraw/zinc/73/99/61/1026739961.db2.gz QPXBTBOAGLKXBD-LURJTMIESA-N -1 0 313.339 -0.615 20 0 DBADRM NC(=O)COc1cccc(C(=O)NCc2[nH]cnc2C(=O)[O-])c1 ZINC001574254911 1026740049 /nfs/dbraw/zinc/74/00/49/1026740049.db2.gz LGFCHOKMNNHBHY-UHFFFAOYSA-N -1 0 318.289 -0.098 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)c1cc2cc(F)ccc2[nH]c1=O ZINC001574254878 1026740257 /nfs/dbraw/zinc/74/02/57/1026740257.db2.gz KGCIFYUUUNDCKA-UHFFFAOYSA-N -1 0 321.264 -0.321 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)c1cnc(C2OCCO2)s1 ZINC001574254589 1026740331 /nfs/dbraw/zinc/74/03/31/1026740331.db2.gz DGELZHYTMUSRRZ-UHFFFAOYSA-N -1 0 315.307 -0.799 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)Cc1ccc(-n2ccnc2)cc1 ZINC001574254787 1026740383 /nfs/dbraw/zinc/74/03/83/1026740383.db2.gz HMSDGANXSYOAHM-UHFFFAOYSA-N -1 0 316.317 -0.187 20 0 DBADRM NC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cnn(C2CCC2)c1 ZINC001574254763 1026740440 /nfs/dbraw/zinc/74/04/40/1026740440.db2.gz HCXFVYLWVPFPPI-UHFFFAOYSA-N -1 0 316.339 -0.831 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)Cc1cc2ccccc2c(=O)[nH]1 ZINC001574254881 1026741101 /nfs/dbraw/zinc/74/11/01/1026741101.db2.gz KHDPHSIRKKLJGH-UHFFFAOYSA-N -1 0 317.301 -0.119 20 0 DBADRM NC(=O)c1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC001574259333 1026741562 /nfs/dbraw/zinc/74/15/62/1026741562.db2.gz MFNVORLODRLPGJ-SECBINFHSA-N -1 0 306.322 -0.084 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCO[C@H](C(=O)[O-])C2)O1 ZINC001574256207 1026741630 /nfs/dbraw/zinc/74/16/30/1026741630.db2.gz ACPBVQCARHNSTL-UTLUCORTSA-N -1 0 300.311 -0.889 20 0 DBADRM NC(=O)c1ccc(CC(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])cn1 ZINC001574259215 1026741715 /nfs/dbraw/zinc/74/17/15/1026741715.db2.gz IPDYZWWPEFOGHG-CMPLNLGQSA-N -1 0 321.333 -0.139 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NC(=O)NC[C@]2(C(=O)[O-])CCCOC2)C1 ZINC001574256666 1026742002 /nfs/dbraw/zinc/74/20/02/1026742002.db2.gz HGOKLMDOYKVYSA-IMSIIYSGSA-N -1 0 313.354 -0.179 20 0 DBADRM NC(=O)CN(CC(=O)[O-])S(=O)(=O)C[C@H]1CCC1(F)F ZINC001574255480 1026742662 /nfs/dbraw/zinc/74/26/62/1026742662.db2.gz YPHRNRFFFFYLNQ-ZCFIWIBFSA-N -1 0 300.283 -0.767 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)[C@H](O)CC(=O)[O-])C[C@H]1c1ccccc1 ZINC001574256992 1026743084 /nfs/dbraw/zinc/74/30/84/1026743084.db2.gz QLUKYPLXWRDXIA-QJPTWQEYSA-N -1 0 306.318 -0.451 20 0 DBADRM NC(=O)c1cc(CNC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)on1 ZINC001574258964 1026743101 /nfs/dbraw/zinc/74/31/01/1026743101.db2.gz FKJTYMHVMYFCGP-KHQFGBGNSA-N -1 0 308.294 -0.364 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)Nc2[nH]nc(C(=O)[O-])c2C2CC2)O1 ZINC001574256735 1026743283 /nfs/dbraw/zinc/74/32/83/1026743283.db2.gz KORKYOGPBRLUMD-NKWVEPMBSA-N -1 0 308.294 -0.043 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)Nc2nnc(C(=O)[O-])s2)O1 ZINC001574256923 1026743456 /nfs/dbraw/zinc/74/34/56/1026743456.db2.gz PBHPAIOPGUQWNF-RITPCOANSA-N -1 0 314.323 -0.012 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC001574257057 1026743482 /nfs/dbraw/zinc/74/34/82/1026743482.db2.gz USIULXMQEDLOAC-NEPJUHHUSA-N -1 0 306.318 -0.070 20 0 DBADRM NC(=O)c1ncn(CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)n1 ZINC001574261786 1026746186 /nfs/dbraw/zinc/74/61/86/1026746186.db2.gz FRDOAQFDODOEIW-JTQLQIEISA-N -1 0 317.305 -0.291 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC001574279497 1026746485 /nfs/dbraw/zinc/74/64/85/1026746485.db2.gz DEIJLMULUXWPKA-WPRPVWTQSA-N -1 0 308.356 -0.949 20 0 DBADRM NS(=O)(=O)CCCC(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC001574280373 1026746686 /nfs/dbraw/zinc/74/66/86/1026746686.db2.gz MDHCECXMHWVLOX-LLVKDONJSA-N -1 0 308.356 -0.947 20 0 DBADRM NS(=O)(=O)c1sccc1C(=O)NCC1(C(=O)[O-])CC1 ZINC001574281160 1026747397 /nfs/dbraw/zinc/74/73/97/1026747397.db2.gz XHPWEAXPDBBXPO-UHFFFAOYSA-N -1 0 304.349 -0.010 20 0 DBADRM NS(=O)(=O)N1CCC(NC(=O)CC2(C(=O)[O-])CCC2)CC1 ZINC001574280981 1026748496 /nfs/dbraw/zinc/74/84/96/1026748496.db2.gz SMBAAAOCURZHAS-UHFFFAOYSA-N -1 0 319.383 -0.585 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)[C@@H]2CCCN(C(=O)[O-])C2)CCC1 ZINC001574280689 1026748763 /nfs/dbraw/zinc/74/87/63/1026748763.db2.gz PBSXOHPSSLMLJH-SECBINFHSA-N -1 0 319.383 -0.296 20 0 DBADRM Nc1ccnn1CC(=O)N1CCC(c2nc(C(=O)[O-])n[nH]2)CC1 ZINC001574292003 1026749100 /nfs/dbraw/zinc/74/91/00/1026749100.db2.gz RJUIVXLCJQEBCF-UHFFFAOYSA-N -1 0 319.325 -0.312 20 0 DBADRM Nc1ncn(CC(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)n1 ZINC001574292109 1026749675 /nfs/dbraw/zinc/74/96/75/1026749675.db2.gz UWCXLKPPCIXPJO-CQSZACIVSA-N -1 0 301.306 -0.097 20 0 DBADRM C[C@@](O)(C(=O)N1CCN(C(=O)C(=O)[O-])CC1)c1ccccc1 ZINC001574286051 1026749905 /nfs/dbraw/zinc/74/99/05/1026749905.db2.gz IGAAAQJCHAUAHI-HNNXBMFYSA-N -1 0 306.318 -0.351 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)C[C@@H]2C=CS(=O)(=O)C2)C1 ZINC001574293078 1026750611 /nfs/dbraw/zinc/75/06/11/1026750611.db2.gz SPHOWCKORDPFKS-LPEHRKFASA-N -1 0 318.351 -0.978 20 0 DBADRM Nc1ncn(CC(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC001574291937 1026751573 /nfs/dbraw/zinc/75/15/73/1026751573.db2.gz QKLMWZABQNCZNO-LLVKDONJSA-N -1 0 303.322 -0.080 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCCCC1=O)[C@@H](O)c1ccncc1 ZINC001574299508 1026752167 /nfs/dbraw/zinc/75/21/67/1026752167.db2.gz LXRVAALCAQAZAN-KBPBESRZSA-N -1 0 321.333 -0.303 20 0 DBADRM O=C(C[C@@H]1CCCS(=O)(=O)C1)NCc1nc(C(=O)[O-])n[nH]1 ZINC001574293268 1026752180 /nfs/dbraw/zinc/75/21/80/1026752180.db2.gz AVXWIGAUERWMAS-ZETCQYMHSA-N -1 0 316.339 -0.666 20 0 DBADRM O=C([O-])c1c[nH]c(NC(=O)CCC(=O)N2CCC(O)CC2)n1 ZINC001574293985 1026753171 /nfs/dbraw/zinc/75/31/71/1026753171.db2.gz SGXJMMHIIIVMTI-UHFFFAOYSA-N -1 0 310.310 -0.190 20 0 DBADRM O=C(CN1CCCS1(=O)=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001574299988 1026753498 /nfs/dbraw/zinc/75/34/98/1026753498.db2.gz ZMQNEEPGARLGKJ-NXEZZACHSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])c1cc(NC(=O)CN2CCCCS2(=O)=O)[nH]n1 ZINC001574299302 1026753522 /nfs/dbraw/zinc/75/35/22/1026753522.db2.gz CTXOKOGDUMTBGB-UHFFFAOYSA-N -1 0 302.312 -0.528 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CN1CCCCS1(=O)=O ZINC001574299296 1026753533 /nfs/dbraw/zinc/75/35/33/1026753533.db2.gz CMJPVHBDTWMOKR-ZJUUUORDSA-N -1 0 304.368 -0.219 20 0 DBADRM CC(C)OC(=O)[C@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001574297110 1026753945 /nfs/dbraw/zinc/75/39/45/1026753945.db2.gz PVGIWZFBYXSUHA-YUMQZZPRSA-N -1 0 322.329 -0.525 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCOCC1)[C@@H](O)c1cccnc1 ZINC001574300104 1026754096 /nfs/dbraw/zinc/75/40/96/1026754096.db2.gz AFTVSBFOBQUZHE-OLZOCXBDSA-N -1 0 309.322 -0.983 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)CNC(=O)c2ccsc2)n1 ZINC001574300696 1026754539 /nfs/dbraw/zinc/75/45/39/1026754539.db2.gz VOQSTAGKOQJGCJ-UHFFFAOYSA-N -1 0 309.307 -0.389 20 0 DBADRM O=C([O-])[C@H](NC(=O)CC1C(=O)N=CNC1=O)[C@H]1CCCOC1 ZINC001574302708 1026754863 /nfs/dbraw/zinc/75/48/63/1026754863.db2.gz MTFBFYLZQLARSE-OIBJUYFYSA-N -1 0 311.294 -0.574 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)Cn2nnc3ccccc32)C1 ZINC001574301662 1026755037 /nfs/dbraw/zinc/75/50/37/1026755037.db2.gz FNPHDLLJGUXCLD-GXSJLCMTSA-N -1 0 319.321 -0.482 20 0 DBADRM O=C([O-])c1ccc(NC(=O)CN2C[C@@H](CO)[C@H](CO)C2)cc1 ZINC001574300505 1026755118 /nfs/dbraw/zinc/75/51/18/1026755118.db2.gz NIWUTJASZYXSJA-RYUDHWBXSA-N -1 0 308.334 -0.144 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCOCC1)[C@@H](O)c1ccncc1 ZINC001574300129 1026755580 /nfs/dbraw/zinc/75/55/80/1026755580.db2.gz BRRHMVMVDDWQOL-STQMWFEESA-N -1 0 309.322 -0.983 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001574308074 1026756625 /nfs/dbraw/zinc/75/66/25/1026756625.db2.gz FKKVUDUMUNIGPD-LDYMZIIASA-N -1 0 310.281 -0.260 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)N[C@H](CO)CC1OCCO1 ZINC001574309977 1026756714 /nfs/dbraw/zinc/75/67/14/1026756714.db2.gz KKTOTYRJMRQNKC-JGVFFNPUSA-N -1 0 306.340 -0.721 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1nc2ncccn2n1 ZINC001574307933 1026756759 /nfs/dbraw/zinc/75/67/59/1026756759.db2.gz DOHHTNRFNMVOKG-IUCAKERBSA-N -1 0 305.294 -0.124 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1cc(CO)on1)[C@@H](O)c1cccnc1 ZINC001574309570 1026757332 /nfs/dbraw/zinc/75/73/32/1026757332.db2.gz YEOVDXABGPVJJZ-MNOVXSKESA-N -1 0 307.262 -0.522 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1nc2n(n1)CCCN2 ZINC001574307804 1026757891 /nfs/dbraw/zinc/75/78/91/1026757891.db2.gz BYMUJPXJHBIQBL-IUCAKERBSA-N -1 0 309.326 -0.897 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1ccnc2n[nH]nc21)C1CCOCC1 ZINC001574308645 1026758122 /nfs/dbraw/zinc/75/81/22/1026758122.db2.gz NDIWEYWASVWIFU-SECBINFHSA-N -1 0 305.294 -0.038 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1ccnc(CO)c1)[C@H](O)c1ccncc1 ZINC001574307855 1026758167 /nfs/dbraw/zinc/75/81/67/1026758167.db2.gz CBOBZQZONDSKQS-QWHCGFSZSA-N -1 0 317.301 -0.115 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2cnn3ncccc23)C1 ZINC001574311920 1026758571 /nfs/dbraw/zinc/75/85/71/1026758571.db2.gz QQHVBYHNDUPFSJ-WCBMZHEXSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2cc3ncccn3n2)C1 ZINC001574311738 1026759129 /nfs/dbraw/zinc/75/91/29/1026759129.db2.gz OYDNOZRACCZVKT-PSASIEDQSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2ncnc3[nH]ccc32)[C@@H](CO)C1 ZINC001574312247 1026759211 /nfs/dbraw/zinc/75/92/11/1026759211.db2.gz YRUIHXYAMWWNAA-APPZFPTMSA-N -1 0 305.294 -0.390 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)NCCc2cscn2)C1 ZINC001574323617 1026760534 /nfs/dbraw/zinc/76/05/34/1026760534.db2.gz JKRTWROIMTVMJG-WPRPVWTQSA-N -1 0 314.367 -0.045 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)NC[C@@]2(OCCO)CCOC2)C1 ZINC001574322414 1026760819 /nfs/dbraw/zinc/76/08/19/1026760819.db2.gz QFROXASOZCZKHL-RISCZKNCSA-N -1 0 314.338 -0.373 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)N2CCS(=O)(=O)CC2)CCCOC1 ZINC001574322435 1026760873 /nfs/dbraw/zinc/76/08/73/1026760873.db2.gz QOHRLUCEFMPNBJ-GFCCVEGCSA-N -1 0 320.367 -0.692 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)NCCc2cccnc2)C1 ZINC001574323694 1026761249 /nfs/dbraw/zinc/76/12/49/1026761249.db2.gz PDBDSTPKBCYNBH-VXGBXAGGSA-N -1 0 308.338 -0.106 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)Nc2ccn(CCF)n2)C1 ZINC001574341785 1026762908 /nfs/dbraw/zinc/76/29/08/1026762908.db2.gz OLZTWSUPNJVYHJ-DTWKUNHWSA-N -1 0 315.305 -0.055 20 0 DBADRM O=C([O-])[C@H](F)[C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001574345252 1026762930 /nfs/dbraw/zinc/76/29/30/1026762930.db2.gz KJFQGHIBVLCOHW-LDYMZIIASA-N -1 0 320.284 -0.058 20 0 DBADRM O=C([O-])c1n[nH]c(NC(=O)c2nc3n(n2)CCCN3)c1C1CC1 ZINC001574345374 1026763067 /nfs/dbraw/zinc/76/30/67/1026763067.db2.gz KJVJOMQBKZUSLJ-UHFFFAOYSA-N -1 0 317.309 -0.098 20 0 DBADRM O=C([O-])[C@H](F)[C@@H]1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)C1 ZINC001574344970 1026763888 /nfs/dbraw/zinc/76/38/88/1026763888.db2.gz IQDUABOAYMCEEZ-FBIMIBRVSA-N -1 0 315.301 -0.879 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)Nc2ccn(CCF)n2)C1 ZINC001574341787 1026764919 /nfs/dbraw/zinc/76/49/19/1026764919.db2.gz OLZTWSUPNJVYHJ-RKDXNWHRSA-N -1 0 315.305 -0.055 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)c2ccc3c(n2)OCCO3)n1 ZINC001574331149 1026764825 /nfs/dbraw/zinc/76/48/25/1026764825.db2.gz NZDLCKJUCQJOSK-UHFFFAOYSA-N -1 0 305.250 -0.401 20 0 DBADRM O=C([O-])[C@H](F)[C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001574345249 1026764895 /nfs/dbraw/zinc/76/48/95/1026764895.db2.gz KJFQGHIBVLCOHW-GZMMTYOYSA-N -1 0 320.284 -0.058 20 0 DBADRM O=C([O-])[C@H](F)C1CN(C(=O)NCc2nc3ncccn3n2)C1 ZINC001574347185 1026765553 /nfs/dbraw/zinc/76/55/53/1026765553.db2.gz XZZLNKVGXRMYEF-SECBINFHSA-N -1 0 308.273 -0.312 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)Nc2nnc3ccccn32)[C@@H](CO)C1 ZINC001574345760 1026765687 /nfs/dbraw/zinc/76/56/87/1026765687.db2.gz OQGPFGWDYTUKHL-BDAKNGLRSA-N -1 0 320.309 -0.179 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2ccno2)CC12COC2 ZINC001574355597 1026765848 /nfs/dbraw/zinc/76/58/48/1026765848.db2.gz DRVGHJBHLJAPNL-VIFPVBQESA-N -1 0 302.308 -0.463 20 0 DBADRM O=C([O-])[C@H](F)C1CN(C(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001574351924 1026766320 /nfs/dbraw/zinc/76/63/20/1026766320.db2.gz AZPYLJOEAAKSRH-SSDOTTSWSA-N -1 0 308.216 -0.686 20 0 DBADRM O=C([O-])[C@H](CC1CC1)NS(=O)(=O)CCN1CCOC1=O ZINC001574347084 1026766710 /nfs/dbraw/zinc/76/67/10/1026766710.db2.gz VSFXCYPGRWGLDE-VIFPVBQESA-N -1 0 306.340 -0.389 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccnn1CC1CCC1 ZINC001574347049 1026766480 /nfs/dbraw/zinc/76/64/80/1026766480.db2.gz VMIUVIIHTMFPSQ-SECBINFHSA-N -1 0 303.340 -0.593 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001574345816 1026766506 /nfs/dbraw/zinc/76/65/06/1026766506.db2.gz PLTCCDLACHAZMD-DSYKOEDSSA-N -1 0 321.273 -0.539 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)CCC1 ZINC001574351800 1026766614 /nfs/dbraw/zinc/76/66/14/1026766614.db2.gz LLJUGVSBWLOKEP-UTLUCORTSA-N -1 0 305.352 -0.283 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1c[nH]c2ncc(Cl)cc12 ZINC001574347114 1026767310 /nfs/dbraw/zinc/76/73/10/1026767310.db2.gz WHNNYKVOCFINLG-SSDOTTSWSA-N -1 0 319.726 -0.060 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCc2nc3ncccn3n2)CCC1 ZINC001574351559 1026767434 /nfs/dbraw/zinc/76/74/34/1026767434.db2.gz CWFOWHSNDCCGPR-UHFFFAOYSA-N -1 0 311.323 -0.449 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3n[nH]c(=O)n3c2)CC12COC2 ZINC001574355812 1026767872 /nfs/dbraw/zinc/76/78/72/1026767872.db2.gz NORSEQOCMRXTMZ-VIFPVBQESA-N -1 0 318.289 -0.392 20 0 DBADRM O=C([O-])[C@H]1CSCN1C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001574358511 1026768728 /nfs/dbraw/zinc/76/87/28/1026768728.db2.gz WZLVVELTRPKLAI-ZYCKWHBGSA-N -1 0 313.331 -0.307 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001574355926 1026769272 /nfs/dbraw/zinc/76/92/72/1026769272.db2.gz SRQAHJHXVPTKDE-GARJFASQSA-N -1 0 321.374 -0.492 20 0 DBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)C1 ZINC001574355909 1026769418 /nfs/dbraw/zinc/76/94/18/1026769418.db2.gz SFUUNQFAUKUFRA-GUBZILKMSA-N -1 0 318.351 -0.867 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC001574361348 1026770222 /nfs/dbraw/zinc/77/02/22/1026770222.db2.gz GUHGAWNEVVIONI-NXEZZACHSA-N -1 0 305.352 -0.752 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC001574363026 1026770852 /nfs/dbraw/zinc/77/08/52/1026770852.db2.gz NNVAAALFJTWYIO-NEPJUHHUSA-N -1 0 321.333 -0.476 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC001574361368 1026771174 /nfs/dbraw/zinc/77/11/74/1026771174.db2.gz GZOFOTZLJBZEAS-IAQYHMDHSA-N -1 0 304.302 -0.056 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N[C@H]1CCc2nnnn2CC1 ZINC001574361095 1026771716 /nfs/dbraw/zinc/77/17/16/1026771716.db2.gz BGYDSOZMKQXMFP-QMMMGPOBSA-N -1 0 303.344 -0.838 20 0 DBADRM O=C([O-])CN(Cc1ccccc1)S(=O)(=O)[C@@H]1COC[C@H]1O ZINC001574371989 1026772517 /nfs/dbraw/zinc/77/25/17/1026772517.db2.gz LWUSQDKTOLWJBV-VXGBXAGGSA-N -1 0 315.347 -0.337 20 0 DBADRM O=C([O-])CNS(=O)(=O)C[C@H]1CCC2(CCOCC2)CO1 ZINC001574371967 1026772501 /nfs/dbraw/zinc/77/25/01/1026772501.db2.gz LHFLXOSAZMGJRH-SNVBAGLBSA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])Cc1cnc(NC(=O)N2C[C@@H](CO)[C@H](CO)C2)s1 ZINC001574371160 1026773009 /nfs/dbraw/zinc/77/30/09/1026773009.db2.gz NSXGAUGFWPTZNJ-YUMQZZPRSA-N -1 0 315.351 -0.165 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)NC[C@@H]2CNC(=O)C2)c1 ZINC001574371059 1026774227 /nfs/dbraw/zinc/77/42/27/1026774227.db2.gz IWINNYOWXZOKNX-JTQLQIEISA-N -1 0 312.347 -0.272 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)N2C[C@H](CCO)[C@H](CO)C2)C1 ZINC001574376337 1026774762 /nfs/dbraw/zinc/77/47/62/1026774762.db2.gz CUUVEXBBCIHMLJ-DCAQKATOSA-N -1 0 301.343 -0.629 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)N2CCc3n[nH]c(=O)cc3C2)n1 ZINC001574375573 1026774810 /nfs/dbraw/zinc/77/48/10/1026774810.db2.gz RENJRJOSOMOQRQ-UHFFFAOYSA-N -1 0 319.281 -0.552 20 0 DBADRM O=C([O-])N1C[C@H](NS(=O)(=O)C[C@H]2CCCO2)[C@@H](CO)C1 ZINC001574376617 1026774950 /nfs/dbraw/zinc/77/49/50/1026774950.db2.gz HAHOQNOOXMYJRT-BBBLOLIVSA-N -1 0 308.356 -0.945 20 0 DBADRM O=C([O-])N1CCC(S(=O)(=O)N[C@H](CO)c2ncc[nH]2)CC1 ZINC001574376628 1026775362 /nfs/dbraw/zinc/77/53/62/1026775362.db2.gz HFPYGFYSAHEHGY-SECBINFHSA-N -1 0 318.355 -0.495 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)N2CC[C@]3(CCOC3=O)C2)n1 ZINC001574375304 1026775751 /nfs/dbraw/zinc/77/57/51/1026775751.db2.gz JONVETRQXKBFKX-LBPRGKRZSA-N -1 0 309.282 -0.466 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)c2cccc3c2NC(=O)CO3)n1 ZINC001574376314 1026775807 /nfs/dbraw/zinc/77/58/07/1026775807.db2.gz CAHMSPWCEYOTLM-UHFFFAOYSA-N -1 0 317.261 -0.054 20 0 DBADRM O=C([O-])N1CCN(S(=O)(=O)N[C@@H]2CCC[C@@H]2CO)CC1 ZINC001574376675 1026775910 /nfs/dbraw/zinc/77/59/10/1026775910.db2.gz ILBIZBVEWSKQEG-NXEZZACHSA-N -1 0 307.372 -0.723 20 0 DBADRM O=C([O-])Cc1csc(CNS(=O)(=O)[C@@H]2CCOC2)n1 ZINC001574375319 1026775922 /nfs/dbraw/zinc/77/59/22/1026775922.db2.gz KSKPRZVJUMUQLQ-MRVPVSSYSA-N -1 0 306.365 -0.022 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)n1 ZINC001574375221 1026776027 /nfs/dbraw/zinc/77/60/27/1026776027.db2.gz INTNHQHOEFOELE-VGMNWLOBSA-N -1 0 311.298 -0.712 20 0 DBADRM O=C([O-])N1CCN(S(=O)(=O)NCc2cncc(F)c2)CC1 ZINC001574377412 1026776126 /nfs/dbraw/zinc/77/61/26/1026776126.db2.gz QBFAAFWVOMVMBA-UHFFFAOYSA-N -1 0 318.330 -0.149 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001574393911 1026776697 /nfs/dbraw/zinc/77/66/97/1026776697.db2.gz IKVKKOUFVJFFIN-LNLATYFQSA-N -1 0 303.336 -0.877 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@@H]21 ZINC001574400113 1026776795 /nfs/dbraw/zinc/77/67/95/1026776795.db2.gz AEWCCUULZMVZCA-JFGNBEQYSA-N -1 0 314.305 -0.150 20 0 DBADRM O=C([O-])NCC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 ZINC001574380896 1026777819 /nfs/dbraw/zinc/77/78/19/1026777819.db2.gz MHPFWKKAFJLFRM-UHFFFAOYSA-N -1 0 306.340 -0.940 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001574385646 1026777837 /nfs/dbraw/zinc/77/78/37/1026777837.db2.gz FKRFODUSAUISDS-MXWKQRLJSA-N -1 0 316.379 -0.078 20 0 DBADRM O=C([O-])NCC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC001574380754 1026778103 /nfs/dbraw/zinc/77/81/03/1026778103.db2.gz GMCDFESFVUMYHX-UHFFFAOYSA-N -1 0 305.337 -0.180 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(Cc3nc[nH]n3)CC2)C1 ZINC001574392639 1026778206 /nfs/dbraw/zinc/77/82/06/1026778206.db2.gz CCJWMNQALMJVDH-WDEREUQCSA-N -1 0 307.354 -0.050 20 0 DBADRM O=C([O-])[C@@H]1C2CCC(CC2)N1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001574384187 1026778292 /nfs/dbraw/zinc/77/82/92/1026778292.db2.gz KNOOGPUDAAZVSG-CTEYZINLSA-N -1 0 311.334 -0.747 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCS(=O)(=O)N2CCCC2)on1 ZINC001574408599 1026779641 /nfs/dbraw/zinc/77/96/41/1026779641.db2.gz KDMHXJNEQQIXBU-UHFFFAOYSA-N -1 0 317.323 -0.472 20 0 DBADRM O=C([O-])c1cc(CS(=O)(=O)N[C@@H](CO)[C@H]2CCOC2)on1 ZINC001574409371 1026779847 /nfs/dbraw/zinc/77/98/47/1026779847.db2.gz YJWFHFDHCXWDCK-XVKPBYJWSA-N -1 0 320.323 -0.810 20 0 DBADRM O=C([O-])c1c[nH]nc1[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001574414941 1026779967 /nfs/dbraw/zinc/77/99/67/1026779967.db2.gz LRSNGLAKLRNJIA-SECBINFHSA-N -1 0 321.337 -0.161 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001574415734 1026779999 /nfs/dbraw/zinc/77/99/99/1026779999.db2.gz VQBJCNBJYOLGEV-ZJUUUORDSA-N -1 0 301.320 -0.499 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC001574414492 1026780232 /nfs/dbraw/zinc/78/02/32/1026780232.db2.gz AOSGMMHKNCNIGA-YFKPBYRVSA-N -1 0 311.266 -0.502 20 0 DBADRM Cc1cn2nc(C(=O)N3CCOC[C@H]3C(=O)[O-])cc2c(=O)[nH]1 ZINC001574411199 1026780369 /nfs/dbraw/zinc/78/03/69/1026780369.db2.gz XIOAPPMWYNACDO-JTQLQIEISA-N -1 0 306.278 -0.743 20 0 DBADRM O=C([O-])c1nc[nH]c1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001574405652 1026780806 /nfs/dbraw/zinc/78/08/06/1026780806.db2.gz JQZHHAPECLKRHX-SSDOTTSWSA-N -1 0 318.293 -0.500 20 0 DBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)N2CC(CO)(CO)C2)c1 ZINC001574412790 1026780978 /nfs/dbraw/zinc/78/09/78/1026780978.db2.gz NNKAJRZDTBDRRD-UHFFFAOYSA-N -1 0 319.310 -0.501 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CC(N2CCCC2=O)C1 ZINC001574414892 1026781171 /nfs/dbraw/zinc/78/11/71/1026781171.db2.gz IXDRSFIKZNJTQN-UHFFFAOYSA-N -1 0 314.323 -0.897 20 0 DBADRM O=C([O-])c1ccn(-c2cccc(CNC(=O)C3(O)COC3)c2)n1 ZINC001574415945 1026782411 /nfs/dbraw/zinc/78/24/11/1026782411.db2.gz YXEQIVKGQRHEGP-UHFFFAOYSA-N -1 0 317.301 -0.052 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@H](O)c1cncs1 ZINC001574417596 1026782567 /nfs/dbraw/zinc/78/25/67/1026782567.db2.gz OPZGSARLCUXSNN-LURJTMIESA-N -1 0 318.336 -0.424 20 0 DBADRM O=C([O-])c1cnc(N2CCS(=O)(=O)C[C@H]2CCO)cn1 ZINC001574417564 1026782906 /nfs/dbraw/zinc/78/29/06/1026782906.db2.gz MVCARICCERFPQK-MRVPVSSYSA-N -1 0 301.324 -0.839 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCc1cnn(CCF)c1 ZINC001574417563 1026783445 /nfs/dbraw/zinc/78/34/45/1026783445.db2.gz MSDRDTXJCHWBKO-UHFFFAOYSA-N -1 0 317.302 -0.248 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2C[C@H](O)[C@@H](CO)C2)c(Cl)c1 ZINC001574417567 1026783470 /nfs/dbraw/zinc/78/34/70/1026783470.db2.gz MVZWGKWYOILHPH-APPZFPTMSA-N -1 0 300.698 -0.142 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C2=C3CCCN=C3NN2)cn1 ZINC001574415756 1026783637 /nfs/dbraw/zinc/78/36/37/1026783637.db2.gz XFDNJBUEGVNHRI-UHFFFAOYSA-N -1 0 304.310 -0.748 20 0 DBADRM Cc1nc([C@@H](C)NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)no1 ZINC001574417205 1026783902 /nfs/dbraw/zinc/78/39/02/1026783902.db2.gz KOYHZSLPVRHOBR-APPZFPTMSA-N -1 0 310.310 -0.122 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@H]1CCCC(=O)N1)[C@@H](O)c1cccnc1 ZINC001574430315 1026784927 /nfs/dbraw/zinc/78/49/27/1026784927.db2.gz FQOSPLPUQNDYOB-SWHYSGLUSA-N -1 0 321.333 -0.257 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@@H]1CCCN1C(=O)CN1CCOCC1 ZINC001574423399 1026786321 /nfs/dbraw/zinc/78/63/21/1026786321.db2.gz PMBWLRMBZXTGDZ-VIFPVBQESA-N -1 0 309.326 -0.501 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)NCCOCCOCC(=O)[O-] ZINC001574435516 1026787184 /nfs/dbraw/zinc/78/71/84/1026787184.db2.gz MFYKJOCRGQBPGD-UHFFFAOYSA-N -1 0 313.354 -0.187 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCC3(CNC(=O)O3)CC2)CCC1 ZINC001574435081 1026787801 /nfs/dbraw/zinc/78/78/01/1026787801.db2.gz JOTTWVCLJORSTA-UHFFFAOYSA-N -1 0 318.351 -0.102 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@H]1CCC(=O)N1)[C@@H](O)c1ccncc1 ZINC001574431509 1026788281 /nfs/dbraw/zinc/78/82/81/1026788281.db2.gz ZTZDETIFTGWFHJ-WQAKAFBOSA-N -1 0 307.306 -0.647 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)[nH]c1=O ZINC001574450409 1026789015 /nfs/dbraw/zinc/78/90/15/1026789015.db2.gz ZIPICRRUBBDCJL-MRVPVSSYSA-N -1 0 310.310 -0.679 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@H](CC(N)=O)C1CCOCC1 ZINC001574466132 1026791236 /nfs/dbraw/zinc/79/12/36/1026791236.db2.gz VUUGAZCICCSSRG-SECBINFHSA-N -1 0 324.337 -0.481 20 0 DBADRM Cn1ccn2c(CNC(=O)[C@@]3(C(=O)[O-])CC3(C)C)nnc2c1=O ZINC001574456519 1026791258 /nfs/dbraw/zinc/79/12/58/1026791258.db2.gz NHNRETVKNXDFPA-CQSZACIVSA-N -1 0 319.321 -0.455 20 0 DBADRM Cn1cncc1[C@H](CO)NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001574462953 1026791703 /nfs/dbraw/zinc/79/17/03/1026791703.db2.gz UEWRRHKNSWMAPO-MXWKQRLJSA-N -1 0 311.338 -0.160 20 0 DBADRM Cn1cc(C[C@H](CO)NC(=O)c2cnc(C(=O)[O-])cn2)cn1 ZINC001574457502 1026791965 /nfs/dbraw/zinc/79/19/65/1026791965.db2.gz DNAGLOINKHSTEC-SECBINFHSA-N -1 0 305.294 -0.758 20 0 DBADRM Nc1ncnc2c1ncn2CCNC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001574512726 1026792462 /nfs/dbraw/zinc/79/24/62/1026792462.db2.gz VZSHDGKDBSQZGN-HTQZYQBOSA-N -1 0 304.310 -0.365 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC001574503008 1026792518 /nfs/dbraw/zinc/79/25/18/1026792518.db2.gz OLRQIPIAIKFRQN-UHFFFAOYSA-N -1 0 319.317 -0.917 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)[O-])CC2)ccn1 ZINC001574507002 1026792974 /nfs/dbraw/zinc/79/29/74/1026792974.db2.gz IKPVGYCIYYDZDR-UHFFFAOYSA-N -1 0 313.335 -0.334 20 0 DBADRM NC(=O)c1cccc(CNC(=O)c2cn(CC(=O)[O-])nn2)c1 ZINC001574503261 1026793163 /nfs/dbraw/zinc/79/31/63/1026793163.db2.gz XJUNNDSHDBKKLF-UHFFFAOYSA-N -1 0 303.278 -0.608 20 0 DBADRM Nc1ccnc(CNC(=O)c2cccn(CC(=O)[O-])c2=O)n1 ZINC001574506128 1026793869 /nfs/dbraw/zinc/79/38/69/1026793869.db2.gz CSSXMJUYNGZRPY-UHFFFAOYSA-N -1 0 303.278 -0.765 20 0 DBADRM O=C([O-])c1c(NC(=O)CN2CCOCC2=O)nc2ccccn21 ZINC001574527022 1026794644 /nfs/dbraw/zinc/79/46/44/1026794644.db2.gz GKBGXYKEUBOYJE-UHFFFAOYSA-N -1 0 318.289 -0.170 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@H]2CCCS(=O)(=O)C2)[nH]n1 ZINC001574567757 1026795518 /nfs/dbraw/zinc/79/55/18/1026795518.db2.gz NVXIBGITJHYQTK-SSDOTTSWSA-N -1 0 301.324 -0.338 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)NC1(C(=O)[O-])CCC1 ZINC001574573733 1026795899 /nfs/dbraw/zinc/79/58/99/1026795899.db2.gz DYJYPMPVPWZETL-UHFFFAOYSA-N -1 0 317.323 -0.210 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)nn1 ZINC001574651482 1026799534 /nfs/dbraw/zinc/79/95/34/1026799534.db2.gz SJTBBNSDBNIJJU-LJGSYFOKSA-N -1 0 314.323 -0.135 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C1 ZINC001574644734 1026799633 /nfs/dbraw/zinc/79/96/33/1026799633.db2.gz XYCTVRCRJJHPQL-QRTLGDNMSA-N -1 0 321.289 -0.037 20 0 DBADRM C[C@H](O)[C@H](NC(=O)c1cccc(Cn2cncn2)c1)C(=O)[O-] ZINC001574662369 1026800232 /nfs/dbraw/zinc/80/02/32/1026800232.db2.gz MSNZESPGSAFNCJ-CABZTGNLSA-N -1 0 304.306 -0.110 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NC[C@H](n2cncn2)C(F)(F)F)C1 ZINC001574644758 1026800626 /nfs/dbraw/zinc/80/06/26/1026800626.db2.gz YTIQSCCTDJWYNG-BQBZGAKWSA-N -1 0 321.215 -0.273 20 0 DBADRM C[C@H](O)[C@H](NS(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1)C(=O)[O-] ZINC001574662021 1026800689 /nfs/dbraw/zinc/80/06/89/1026800689.db2.gz HMWSICFTOAGOQL-BBHBSTQDSA-N -1 0 307.368 -0.303 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NCc2nnnn2CC2CC2)CO1 ZINC001574686066 1026802728 /nfs/dbraw/zinc/80/27/28/1026802728.db2.gz IMMDOMTUKLGNMT-GHMZBOCLSA-N -1 0 323.353 -0.031 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1c(C)onc1N ZINC000643971276 412493007 /nfs/dbraw/zinc/49/30/07/412493007.db2.gz GZDQRHXLAVPKTN-NSHDSACASA-N -1 0 319.339 -0.180 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000427767076 529880092 /nfs/dbraw/zinc/88/00/92/529880092.db2.gz XMOOKWWTJPRYQF-UHFFFAOYSA-N -1 0 320.305 -0.029 20 0 DBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2c(C)onc2N)n1 ZINC000619573619 412515940 /nfs/dbraw/zinc/51/59/40/412515940.db2.gz DXEDMGHDVCUPCL-UHFFFAOYSA-N -1 0 315.311 -0.264 20 0 DBADRM CCC[C@@H](NC(=O)c1nc(N)nc(N(C)C)n1)c1nnn[n-]1 ZINC000612056777 412519921 /nfs/dbraw/zinc/51/99/21/412519921.db2.gz LZVVGYPASXLYSN-ZCFIWIBFSA-N -1 0 306.334 -0.696 20 0 DBADRM O=C([N-][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(F)(F)F ZINC000365146303 303989446 /nfs/dbraw/zinc/98/94/46/303989446.db2.gz XNOLXHVCYZMZAI-JGVFFNPUSA-N -1 0 316.301 -0.837 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CC1OCCCO1 ZINC000408475476 412527994 /nfs/dbraw/zinc/52/79/94/412527994.db2.gz FFJQGTYHTBTZCH-UHFFFAOYSA-N -1 0 305.312 -0.477 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cnn2c1CCC2 ZINC000408490710 412528330 /nfs/dbraw/zinc/52/83/30/412528330.db2.gz CMTFKDIHZCDEJN-UHFFFAOYSA-N -1 0 311.323 -0.173 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000571808577 412528796 /nfs/dbraw/zinc/52/87/96/412528796.db2.gz HYQGDKQJIZDVTF-HTQZYQBOSA-N -1 0 319.339 -0.277 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC000575398204 412529242 /nfs/dbraw/zinc/52/92/42/412529242.db2.gz ADJNUBSDZMFCRN-SNVBAGLBSA-N -1 0 305.312 -0.523 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000564926586 412529821 /nfs/dbraw/zinc/52/98/21/412529821.db2.gz NHDVLCLKZKATIX-YUMQZZPRSA-N -1 0 319.339 -0.277 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000574400648 412531108 /nfs/dbraw/zinc/53/11/08/412531108.db2.gz UOTWJWWXXHJIAB-ZETCQYMHSA-N -1 0 315.311 -0.597 20 0 DBADRM Cc1cc(C)n2[n-]c(=NC(=O)NCc3cncnc3N)nc2n1 ZINC000339197286 412534308 /nfs/dbraw/zinc/53/43/08/412534308.db2.gz DIXBPUGLCBQDAG-UHFFFAOYSA-N -1 0 313.325 -0.143 20 0 DBADRM Nc1noc(CCNC(=O)N=c2nc3cc(Cl)ccn3[n-]2)n1 ZINC000353519548 412538868 /nfs/dbraw/zinc/53/88/68/412538868.db2.gz FPIAEDGYLMXIJC-UHFFFAOYSA-N -1 0 322.716 0.134 20 0 DBADRM Nc1nsc(N2CCN(c3ncc(C(=O)[O-])cn3)CC2)n1 ZINC000563204298 412542652 /nfs/dbraw/zinc/54/26/52/412542652.db2.gz BCJLZIGSYHPXOV-UHFFFAOYSA-N -1 0 307.339 -0.065 20 0 DBADRM CCCN(C)S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000262410360 283066819 /nfs/dbraw/zinc/06/68/19/283066819.db2.gz LLIHKUUPRXIBOG-VIFPVBQESA-N -1 0 309.388 -0.516 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000420603396 304053735 /nfs/dbraw/zinc/05/37/35/304053735.db2.gz UYUZZFJFAPNUBE-NWDGAFQWSA-N -1 0 306.318 -0.088 20 0 DBADRM CCOC(=O)CNC(=O)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000340903048 138101569 /nfs/dbraw/zinc/10/15/69/138101569.db2.gz UYHWQNPYEDRNLO-UHFFFAOYSA-N -1 0 311.342 -0.598 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000420603398 304054135 /nfs/dbraw/zinc/05/41/35/304054135.db2.gz UYUZZFJFAPNUBE-VXGBXAGGSA-N -1 0 306.318 -0.088 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])cc1C(N)=O ZINC000287422153 138097103 /nfs/dbraw/zinc/09/71/03/138097103.db2.gz GCKFMXRGBXDOEN-SECBINFHSA-N -1 0 315.351 -0.344 20 0 DBADRM C[N@H+](Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000340871930 138101080 /nfs/dbraw/zinc/10/10/80/138101080.db2.gz BLTIMSYGOOAKDN-SECBINFHSA-N -1 0 322.373 -0.180 20 0 DBADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@H](CO)C(N)=O)n2)c1 ZINC000341747606 138114178 /nfs/dbraw/zinc/11/41/78/138114178.db2.gz MUAUYLJBHROGHN-SECBINFHSA-N -1 0 322.296 -0.399 20 0 DBADRM CN(C)C(=O)CCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000342006390 138117946 /nfs/dbraw/zinc/11/79/46/138117946.db2.gz CPRMFPPAMHIXKI-UHFFFAOYSA-N -1 0 305.294 -0.356 20 0 DBADRM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000356632359 138143748 /nfs/dbraw/zinc/14/37/48/138143748.db2.gz AMQQWZDQUIKGIW-JGVFFNPUSA-N -1 0 318.399 -0.123 20 0 DBADRM Cn1cc([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)cn1 ZINC000356726502 138144410 /nfs/dbraw/zinc/14/44/10/138144410.db2.gz FRLIFRHIURKANK-UHFFFAOYSA-N -1 0 316.364 -0.132 20 0 DBADRM COC[C@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCO1 ZINC000357438345 138145368 /nfs/dbraw/zinc/14/53/68/138145368.db2.gz MFIRVZKLMPWLAW-SECBINFHSA-N -1 0 320.305 -0.077 20 0 DBADRM CC(C)(C)c1nc(=NC(=O)C(=O)NCCOCCO)s[n-]1 ZINC000347775522 138134355 /nfs/dbraw/zinc/13/43/55/138134355.db2.gz GWLQTGWIDQOCTE-UHFFFAOYSA-N -1 0 316.383 -0.679 20 0 DBADRM CC(=O)N[C@H](CC1CCC1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000370602359 138159119 /nfs/dbraw/zinc/15/91/19/138159119.db2.gz OCVMXKYFEDIZPS-NEPJUHHUSA-N -1 0 322.369 -0.206 20 0 DBADRM CCc1cc(=O)[nH]c(CN2CCC[C@]3(C2)NC(=O)NC3=O)n1 ZINC000373848555 138174351 /nfs/dbraw/zinc/17/43/51/138174351.db2.gz CWVCPPYJBRFUSE-CQSZACIVSA-N -1 0 305.338 -0.081 20 0 DBADRM COc1ccc([C@@H]2[C@H](C(=O)[N-]OCC(N)=O)CC(=O)N2C)cc1 ZINC000376148979 138185646 /nfs/dbraw/zinc/18/56/46/138185646.db2.gz KGESJRKRCIMRQP-BXUZGUMPSA-N -1 0 321.333 -0.252 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000376783980 138189472 /nfs/dbraw/zinc/18/94/72/138189472.db2.gz CGPYKRNQQIVRTB-MRVPVSSYSA-N -1 0 313.310 -0.981 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)S(C)(=O)=O ZINC000407998627 138201683 /nfs/dbraw/zinc/20/16/83/138201683.db2.gz SNFAXEZVIOCAPA-MRVPVSSYSA-N -1 0 317.371 -0.892 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)cn1 ZINC000408127909 138208412 /nfs/dbraw/zinc/20/84/12/138208412.db2.gz YUMAKXFYGBKNHG-UHFFFAOYSA-N -1 0 300.340 -0.763 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)ccc1=O ZINC000408249681 138211880 /nfs/dbraw/zinc/21/18/80/138211880.db2.gz AXPGTASJICQFOR-JTQLQIEISA-N -1 0 314.363 -0.129 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000408253131 138212635 /nfs/dbraw/zinc/21/26/35/138212635.db2.gz FBJGKLLGBCIMTQ-RYUDHWBXSA-N -1 0 320.411 -0.420 20 0 DBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)c1=O ZINC000408255026 138212719 /nfs/dbraw/zinc/21/27/19/138212719.db2.gz PVIHDKSEMHSNDR-JTQLQIEISA-N -1 0 314.363 -0.129 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000408375276 138216348 /nfs/dbraw/zinc/21/63/48/138216348.db2.gz RRJKYRJTCWIVCL-NSHDSACASA-N -1 0 303.340 -0.827 20 0 DBADRM Cn1nnc2cc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)ccc21 ZINC000408387565 138216631 /nfs/dbraw/zinc/21/66/31/138216631.db2.gz RSWJOXGPHWHLGC-VIFPVBQESA-N -1 0 310.335 -0.183 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)C1 ZINC000408409244 138218037 /nfs/dbraw/zinc/21/80/37/138218037.db2.gz VSACKYULJZVNEK-NEPJUHHUSA-N -1 0 318.395 -0.130 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000408451212 138219291 /nfs/dbraw/zinc/21/92/91/138219291.db2.gz LBJSPZVJTXYQKB-SNVBAGLBSA-N -1 0 316.383 -0.746 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000408456624 138219559 /nfs/dbraw/zinc/21/95/59/138219559.db2.gz JZXQAYZOAHOBKO-GHMZBOCLSA-N -1 0 306.384 -0.668 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000408477129 138220185 /nfs/dbraw/zinc/22/01/85/138220185.db2.gz DTYFWHPZNRZHQG-UHFFFAOYSA-N -1 0 314.367 -0.680 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1cc2n(n1)CCCO2 ZINC000408489798 138220192 /nfs/dbraw/zinc/22/01/92/138220192.db2.gz WDTZMVOLZLEZJS-VIFPVBQESA-N -1 0 315.351 -0.096 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1cc2n(n1)CCO2 ZINC000408474543 138220267 /nfs/dbraw/zinc/22/02/67/138220267.db2.gz DJUXMXRWNMLFEY-MRVPVSSYSA-N -1 0 301.324 -0.486 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccccn1)[C@H]1CCCCS1(=O)=O ZINC000408477834 138220427 /nfs/dbraw/zinc/22/04/27/138220427.db2.gz HCMUVQVJYZYOOS-SECBINFHSA-N -1 0 318.376 -0.146 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C1 ZINC000408487055 138220529 /nfs/dbraw/zinc/22/05/29/138220529.db2.gz URMBLZMXZKNAHM-ZJUUUORDSA-N -1 0 304.368 -0.520 20 0 DBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)CCC(=O)NC1 ZINC000408479834 138220560 /nfs/dbraw/zinc/22/05/60/138220560.db2.gz NILWSNJASWTVDC-JOYOIKCWSA-N -1 0 304.368 -0.472 20 0 DBADRM CCCN1CCCN(C(=O)c2cnc([O-])n(C)c2=O)CC1=O ZINC000276494592 283329680 /nfs/dbraw/zinc/32/96/80/283329680.db2.gz SXALNBVFIGYMST-UHFFFAOYSA-N -1 0 308.338 -0.430 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000427747213 236916241 /nfs/dbraw/zinc/91/62/41/236916241.db2.gz KKHAADKCGLTRAO-ZETCQYMHSA-N -1 0 320.305 -0.775 20 0 DBADRM COC[C@H](NC(=O)C(=O)N(C)CCCC(=O)[O-])[C@H]1CCCO1 ZINC000420553105 237403510 /nfs/dbraw/zinc/40/35/10/237403510.db2.gz GNDYHSMNCMUHBS-WDEREUQCSA-N -1 0 316.354 -0.380 20 0 DBADRM Cc1ccc(-c2nnn(CC(=O)NCc3n[nH]c(=O)[n-]3)n2)cc1 ZINC000443512556 237505436 /nfs/dbraw/zinc/50/54/36/237505436.db2.gz SOXQEVPCLQFKPF-UHFFFAOYSA-N -1 0 314.309 -0.211 20 0 DBADRM C[C@H](O)[C@H](NS(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-] ZINC000037417906 283544002 /nfs/dbraw/zinc/54/40/02/283544002.db2.gz AFUQDFJGHJYTLU-CABZTGNLSA-N -1 0 314.363 -0.287 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000364410546 291224904 /nfs/dbraw/zinc/22/49/04/291224904.db2.gz IMPCTRPWIOBHMJ-IUCAKERBSA-N -1 0 309.340 -0.699 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000081902751 283556933 /nfs/dbraw/zinc/55/69/33/283556933.db2.gz AYBYNXOEXQFBDK-ZETCQYMHSA-N -1 0 324.380 -0.565 20 0 DBADRM NS(=O)(=O)c1cccc(CNC(=O)CSCC(=O)[O-])c1 ZINC000128028279 283568498 /nfs/dbraw/zinc/56/84/98/283568498.db2.gz KORCJQBLMHVCNI-UHFFFAOYSA-N -1 0 318.376 -0.232 20 0 DBADRM CN(CC(=O)N1CCNC1=O)Cc1nc(=O)c2sccc2[n-]1 ZINC000131863116 283572494 /nfs/dbraw/zinc/57/24/94/283572494.db2.gz DAZGCVTXCOWZRW-UHFFFAOYSA-N -1 0 321.362 -0.032 20 0 DBADRM C[C@]1(CO)CCC[C@@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000161877935 283580877 /nfs/dbraw/zinc/58/08/77/283580877.db2.gz SLZHFQQCQFWOSP-ZUZCIYMTSA-N -1 0 318.333 -0.108 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000446307225 238306125 /nfs/dbraw/zinc/30/61/25/238306125.db2.gz GESKDQWQWDBEAV-UHFFFAOYSA-N -1 0 303.326 -0.164 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)NCCc1nc(=O)o[n-]1 ZINC000447634259 238331893 /nfs/dbraw/zinc/33/18/93/238331893.db2.gz NOBXAXYRXHUVLD-UHFFFAOYSA-N -1 0 308.294 -0.712 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCNC(=O)CC2CCCC2)nn1 ZINC000448986811 238351687 /nfs/dbraw/zinc/35/16/87/238351687.db2.gz UYYGAQZARSCMSX-UHFFFAOYSA-N -1 0 323.353 -0.211 20 0 DBADRM CS(=O)(=O)NCCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000532676650 283622294 /nfs/dbraw/zinc/62/22/94/283622294.db2.gz SADSHEGFWNPYEL-UHFFFAOYSA-N -1 0 300.336 -0.060 20 0 DBADRM O=C(NCCNS(=O)(=O)c1cccs1)c1n[nH]c(=O)[n-]1 ZINC000533006627 283627974 /nfs/dbraw/zinc/62/79/74/283627974.db2.gz RHAULGJJRPADNG-UHFFFAOYSA-N -1 0 317.352 -0.720 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000532874761 283626430 /nfs/dbraw/zinc/62/64/30/283626430.db2.gz WKKORMSAOIWXET-JTQLQIEISA-N -1 0 315.351 -0.046 20 0 DBADRM O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)c1n[nH]c(=O)[n-]1 ZINC000533453121 283634934 /nfs/dbraw/zinc/63/49/34/283634934.db2.gz QHDMVYWEPGNFNT-YFKPBYRVSA-N -1 0 307.232 -0.207 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000535512936 283653231 /nfs/dbraw/zinc/65/32/31/283653231.db2.gz DCPSTONACTVFSL-LURJTMIESA-N -1 0 308.337 -0.915 20 0 DBADRM CCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000537402034 283666041 /nfs/dbraw/zinc/66/60/41/283666041.db2.gz CLIZPBROKDAFHW-UHFFFAOYSA-N -1 0 303.340 -0.188 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N[C@](C)(C(=O)[O-])C1CC1)c2=O ZINC000539604830 283678209 /nfs/dbraw/zinc/67/82/09/283678209.db2.gz FOLXZGNVQRFTEZ-AWEZNQCLSA-N -1 0 319.321 -0.501 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(=O)[O-])C2)s1 ZINC000539676702 283678216 /nfs/dbraw/zinc/67/82/16/283678216.db2.gz HYBQMUBQMQGWCZ-ZETCQYMHSA-N -1 0 318.376 -0.129 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)nn1 ZINC000540706955 283683312 /nfs/dbraw/zinc/68/33/12/283683312.db2.gz SIHBLKJGFODQLC-CYBMUJFWSA-N -1 0 309.326 -0.651 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)Cc2cc(C)no2)C1 ZINC000541005795 283687909 /nfs/dbraw/zinc/68/79/09/283687909.db2.gz AXYNCCGQYGPANL-SCZZXKLOSA-N -1 0 304.324 -0.013 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cc(C)cnc2N)C1 ZINC000541933367 283694659 /nfs/dbraw/zinc/69/46/59/283694659.db2.gz HPISZLUWVMKICV-BDAKNGLRSA-N -1 0 315.351 -0.165 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000262258967 299339716 /nfs/dbraw/zinc/33/97/16/299339716.db2.gz UGMQLQLBXJFAID-ONGXEEELSA-N -1 0 314.363 -0.264 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)N(C)CC1CC1)C(=O)[O-] ZINC000547576757 283745472 /nfs/dbraw/zinc/74/54/72/283745472.db2.gz RIZFHEHYPYNFNG-SECBINFHSA-N -1 0 308.356 -0.431 20 0 DBADRM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)N(C)CCC(=O)OC ZINC000547582894 283745557 /nfs/dbraw/zinc/74/55/57/283745557.db2.gz OCYYXVVIEASKBL-SECBINFHSA-N -1 0 310.372 -0.089 20 0 DBADRM CN(C)S(=O)(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)[O-] ZINC000547546124 283743145 /nfs/dbraw/zinc/74/31/45/283743145.db2.gz RBKXRDJRCUXOQJ-JTQLQIEISA-N -1 0 312.351 -0.045 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547548159 283743260 /nfs/dbraw/zinc/74/32/60/283743260.db2.gz FDAPUVBASRQITG-HRDYMLBCSA-N -1 0 309.340 -0.795 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)nc1C ZINC000547552738 283743461 /nfs/dbraw/zinc/74/34/61/283743461.db2.gz JZQQPXKQGKKOQG-ONGXEEELSA-N -1 0 317.367 -0.021 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000547551938 283743482 /nfs/dbraw/zinc/74/34/82/283743482.db2.gz VENDGPRKJDVQIQ-JTQLQIEISA-N -1 0 312.303 -0.748 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H](CCSC)C(=O)[O-] ZINC000547554716 283743828 /nfs/dbraw/zinc/74/38/28/283743828.db2.gz QSSUSZCFRGDZCR-HTQZYQBOSA-N -1 0 313.397 -0.079 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)n(C)c1)C(=O)[O-] ZINC000547556055 283743903 /nfs/dbraw/zinc/74/39/03/283743903.db2.gz YFNDOJCJZUSIIF-QMMMGPOBSA-N -1 0 304.324 -0.047 20 0 DBADRM COC(=O)CCCS(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000547557236 283744505 /nfs/dbraw/zinc/74/45/05/283744505.db2.gz JDCZDTZZDABRRU-ZJUUUORDSA-N -1 0 323.367 -0.261 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])o1 ZINC000547870154 283754818 /nfs/dbraw/zinc/75/48/18/283754818.db2.gz CEFDRSQPNLKRAL-SSDOTTSWSA-N -1 0 321.307 -0.430 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])o1 ZINC000547869164 283754856 /nfs/dbraw/zinc/75/48/56/283754856.db2.gz TVRNKIICGXIDQX-ZETCQYMHSA-N -1 0 321.307 -0.430 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)CC1CCOCC1)C(=O)[O-] ZINC000547898046 283757760 /nfs/dbraw/zinc/75/77/60/283757760.db2.gz IGUGJTHYVLZXPS-SNVBAGLBSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)cn1C ZINC000547896955 283757775 /nfs/dbraw/zinc/75/77/75/283757775.db2.gz WIIQJKYETLFTAY-JTQLQIEISA-N -1 0 316.335 -0.047 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)N1CC[C@H](C)C1)C(=O)[O-] ZINC000547899473 283757841 /nfs/dbraw/zinc/75/78/41/283757841.db2.gz XYGIUTIHEFROSR-DTWKUNHWSA-N -1 0 308.356 -0.431 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c[nH]c(C(=O)OC)c1 ZINC000547911771 283758393 /nfs/dbraw/zinc/75/83/93/283758393.db2.gz UQUJIIJWYJTRNB-SECBINFHSA-N -1 0 320.323 -0.479 20 0 DBADRM CCn1cc(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])cn1 ZINC000547906404 283758603 /nfs/dbraw/zinc/75/86/03/283758603.db2.gz OYJPCRHJNFZSDM-SECBINFHSA-N -1 0 305.356 -0.251 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000547921620 283758999 /nfs/dbraw/zinc/75/89/99/283758999.db2.gz QBLYZQQXFXMXLT-ZJUUUORDSA-N -1 0 321.399 -0.531 20 0 DBADRM CCOCCS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000547919022 283759270 /nfs/dbraw/zinc/75/92/70/283759270.db2.gz UUEFPHAVLZSFTG-IUCAKERBSA-N -1 0 308.356 -0.997 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)Cc1cccc(F)c1 ZINC000547871179 283755412 /nfs/dbraw/zinc/75/54/12/283755412.db2.gz IBORVRWFKVDBNN-UHFFFAOYSA-N -1 0 304.299 -0.554 20 0 DBADRM COC(=O)CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547876287 283755642 /nfs/dbraw/zinc/75/56/42/283755642.db2.gz YQZBYDPJHQVFKI-WCBMZHEXSA-N -1 0 309.340 -0.651 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547879141 283755843 /nfs/dbraw/zinc/75/58/43/283755843.db2.gz GLAFSXMPQZKWHA-SCZZXKLOSA-N -1 0 303.340 -0.329 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000547882669 283756322 /nfs/dbraw/zinc/75/63/22/283756322.db2.gz WSOZDNJAFLBBFP-HRDYMLBCSA-N -1 0 309.340 -0.917 20 0 DBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000547880422 283756324 /nfs/dbraw/zinc/75/63/24/283756324.db2.gz KFABLQHWTSKFGW-RGOKHQFPSA-N -1 0 323.367 -0.528 20 0 DBADRM COc1cccc(CS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000547881667 283756325 /nfs/dbraw/zinc/75/63/25/283756325.db2.gz MLHGSORWCGQCTK-SNVBAGLBSA-N -1 0 316.335 -0.557 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000547931490 283759798 /nfs/dbraw/zinc/75/97/98/283759798.db2.gz BBOHVTCHLAFIKH-VIFPVBQESA-N -1 0 319.339 -0.776 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](CC(=O)[O-])C1CCOCC1 ZINC000548239370 283772466 /nfs/dbraw/zinc/77/24/66/283772466.db2.gz DXIJOTUMDWETMV-LLVKDONJSA-N -1 0 324.399 -0.331 20 0 DBADRM COCc1ccccc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000548204956 283770137 /nfs/dbraw/zinc/77/01/37/283770137.db2.gz XJTSGEJYEQJANI-SECBINFHSA-N -1 0 316.335 -0.560 20 0 DBADRM COC[C@H](NS(=O)(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-] ZINC000548213654 283770723 /nfs/dbraw/zinc/77/07/23/283770723.db2.gz DWPVLLJSUOTUTO-QMMMGPOBSA-N -1 0 306.296 -0.821 20 0 DBADRM COC[C@H](NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC)C(=O)[O-] ZINC000548218470 283770734 /nfs/dbraw/zinc/77/07/34/283770734.db2.gz ZFXQYHYEEUCJMI-KXUCPTDWSA-N -1 0 323.367 -0.263 20 0 DBADRM Cn1cc(C[C@H](CNS(=O)(=O)[C@@H]2CCOC2)C(=O)[O-])cn1 ZINC000548223745 283771366 /nfs/dbraw/zinc/77/13/66/283771366.db2.gz ITZXUCIBNRIDOL-GHMZBOCLSA-N -1 0 317.367 -0.628 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@H](CCC(=O)OC)C(=O)[O-] ZINC000548224313 283771379 /nfs/dbraw/zinc/77/13/79/283771379.db2.gz YHKMWBDJIDHDBI-DTWKUNHWSA-N -1 0 311.356 -0.263 20 0 DBADRM Cn1cc(C[C@H](CNS(=O)(=O)[C@H]2CCOC2)C(=O)[O-])cn1 ZINC000548223746 283771380 /nfs/dbraw/zinc/77/13/80/283771380.db2.gz ITZXUCIBNRIDOL-MNOVXSKESA-N -1 0 317.367 -0.628 20 0 DBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C(=O)[O-])C1 ZINC000548224742 283771382 /nfs/dbraw/zinc/77/13/82/283771382.db2.gz DDFZLPDGOGYBIY-UHFFFAOYSA-N -1 0 319.360 -0.205 20 0 DBADRM COCCOCCS(=O)(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-] ZINC000548222122 283771391 /nfs/dbraw/zinc/77/13/91/283771391.db2.gz JRCPPXPCGYFKLQ-DTWKUNHWSA-N -1 0 313.397 -0.173 20 0 DBADRM O=C([O-])CSCCNS(=O)(=O)c1cnc2n1CCC2 ZINC000548261665 283773223 /nfs/dbraw/zinc/77/32/23/283773223.db2.gz IWRLNLQCSDUPNH-UHFFFAOYSA-N -1 0 305.381 -0.075 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000548561112 283784818 /nfs/dbraw/zinc/78/48/18/283784818.db2.gz VFPUBAHEUGDDPI-RKDXNWHRSA-N -1 0 309.340 -0.821 20 0 DBADRM CCCN(CC1CC1)S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000548559421 283784905 /nfs/dbraw/zinc/78/49/05/283784905.db2.gz ZICLZMUMIMFHRE-MNOVXSKESA-N -1 0 306.384 -0.127 20 0 DBADRM CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000548555908 283784958 /nfs/dbraw/zinc/78/49/58/283784958.db2.gz FBQINOLYYJZATK-MRVPVSSYSA-N -1 0 317.367 -0.004 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCCF ZINC000548573241 283785324 /nfs/dbraw/zinc/78/53/24/283785324.db2.gz FRXHIDZDWKXGFS-QMMMGPOBSA-N -1 0 317.360 -0.751 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)N2CCC[C@H]2C)C(=O)[O-])c1 ZINC000548529713 283782468 /nfs/dbraw/zinc/78/24/68/283782468.db2.gz HVFATDQBVYPRNA-GHMZBOCLSA-N -1 0 316.383 -0.037 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cnn(CC(=O)OC)c1)C(=O)[O-] ZINC000548534463 283783248 /nfs/dbraw/zinc/78/32/48/283783248.db2.gz VBXXUZAEIXJBAD-MRVPVSSYSA-N -1 0 305.312 -0.802 20 0 DBADRM COCCCS(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548531977 283783352 /nfs/dbraw/zinc/78/33/52/283783352.db2.gz ZRHNQUCUHRWFKV-SNVBAGLBSA-N -1 0 305.356 -0.399 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)C[C@H]1CCCCO1)C(=O)[O-] ZINC000548533111 283783359 /nfs/dbraw/zinc/78/33/59/283783359.db2.gz BVOSQOGTPCACBI-ZJUUUORDSA-N -1 0 323.367 -0.119 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548537348 283783702 /nfs/dbraw/zinc/78/37/02/283783702.db2.gz SYDRIZKNEQQGMH-UTLUCORTSA-N -1 0 323.367 -0.405 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])o1 ZINC000548547785 283784311 /nfs/dbraw/zinc/78/43/11/283784311.db2.gz FWSJZZHPNNWWKE-QMMMGPOBSA-N -1 0 321.307 -0.166 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)NC[C@](C)(CO)CC(=O)[O-] ZINC000548685597 283788932 /nfs/dbraw/zinc/78/89/32/283788932.db2.gz YRDPCASAPPWVGN-GZMMTYOYSA-N -1 0 311.356 -0.812 20 0 DBADRM C[C@](CO)(CNS(=O)(=O)c1cnc2n1CCC2)CC(=O)[O-] ZINC000548683753 283789178 /nfs/dbraw/zinc/78/91/78/283789178.db2.gz APJUFDNLNZOHNY-GFCCVEGCSA-N -1 0 317.367 -0.419 20 0 DBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000548578072 283785760 /nfs/dbraw/zinc/78/57/60/283785760.db2.gz LKDIYXDTUFUSIS-AXFHLTTASA-N -1 0 324.399 -0.238 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)CN2CCN(C)C(=O)C2)s[n-]1 ZINC000549367471 283799337 /nfs/dbraw/zinc/79/93/37/283799337.db2.gz XTFLPWTVJGHGLW-QMMMGPOBSA-N -1 0 313.383 -0.620 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000261912732 304120704 /nfs/dbraw/zinc/12/07/04/304120704.db2.gz WPUNAIZRALDITH-SECBINFHSA-N -1 0 309.322 -0.216 20 0 DBADRM CC(=O)N1CCN(C(=O)CCNC(=O)C2(C(=O)[O-])CC2)CC1 ZINC000554482457 283933595 /nfs/dbraw/zinc/93/35/95/283933595.db2.gz YTCSRVXTABDXSU-UHFFFAOYSA-N -1 0 311.338 -0.952 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)C[C@@]12CCOC2 ZINC000555825347 283947385 /nfs/dbraw/zinc/94/73/85/283947385.db2.gz DZVDJPJQIMSUMH-NTZNESFSSA-N -1 0 319.379 -0.224 20 0 DBADRM COC[C@](C)(NC(=O)NCCCO[C@@H]1CCOC1)C(=O)[O-] ZINC000555845560 283947576 /nfs/dbraw/zinc/94/75/76/283947576.db2.gz BTIYYUUGDIWYEN-MFKMUULPSA-N -1 0 304.343 -0.029 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)C[C@H]2CCOC2)C[C@@]12CCOC2 ZINC000555825344 283947667 /nfs/dbraw/zinc/94/76/67/283947667.db2.gz DZVDJPJQIMSUMH-GMXVVIOVSA-N -1 0 319.379 -0.224 20 0 DBADRM COC[C@](C)(NC(=O)NCCCO[C@H]1CCOC1)C(=O)[O-] ZINC000555845558 283947674 /nfs/dbraw/zinc/94/76/74/283947674.db2.gz BTIYYUUGDIWYEN-GWCFXTLKSA-N -1 0 304.343 -0.029 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000556260055 283950809 /nfs/dbraw/zinc/95/08/09/283950809.db2.gz AWDXKPNHRRRAOL-QMMMGPOBSA-N -1 0 319.291 -0.460 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC(CC(=O)[O-])CC1 ZINC000556775532 283955794 /nfs/dbraw/zinc/95/57/94/283955794.db2.gz KZLPUQGIORXEGJ-UHFFFAOYSA-N -1 0 322.383 -0.087 20 0 DBADRM NC(=O)[C@H](CO)NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000556842212 283957869 /nfs/dbraw/zinc/95/78/69/283957869.db2.gz XTSAJIYGTUAILZ-QMMMGPOBSA-N -1 0 308.269 -0.707 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000557082869 283960333 /nfs/dbraw/zinc/96/03/33/283960333.db2.gz AODXYJNOAYNPGS-WDEREUQCSA-N -1 0 324.399 -0.331 20 0 DBADRM COCCN(CCOC)S(=O)(=O)NCC1(C(=O)[O-])CCC1 ZINC000556773746 283956092 /nfs/dbraw/zinc/95/60/92/283956092.db2.gz OPHCJKXHMANZEJ-UHFFFAOYSA-N -1 0 324.399 -0.330 20 0 DBADRM COCCN(CCOC)C(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000560075920 283987815 /nfs/dbraw/zinc/98/78/15/283987815.db2.gz AKMBBDTWNQWWPF-UZJPJQLHSA-N -1 0 322.383 -0.781 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)Cn1cnc2sccc2c1=O ZINC000262386916 304134791 /nfs/dbraw/zinc/13/47/91/304134791.db2.gz ZHYBRPJFWJFWPV-VIFPVBQESA-N -1 0 323.330 -0.230 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000560459850 283992140 /nfs/dbraw/zinc/99/21/40/283992140.db2.gz KCSCRGSIGLCGCX-MRVPVSSYSA-N -1 0 306.344 -0.679 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)NCCCO[C@H]1CCOC1 ZINC000561541957 284002782 /nfs/dbraw/zinc/00/27/82/284002782.db2.gz CKQPHENTMDGPME-QWRGUYRKSA-N -1 0 302.327 -0.323 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000561454149 284002419 /nfs/dbraw/zinc/00/24/19/284002419.db2.gz BAHRTLJZFVJPKV-SNVBAGLBSA-N -1 0 321.399 -0.180 20 0 DBADRM COCCn1cc(S(=O)(=O)N(CC(=O)[O-])C2CC2)cn1 ZINC000562319873 284007332 /nfs/dbraw/zinc/00/73/32/284007332.db2.gz FXZAFSJSVQAGOG-UHFFFAOYSA-N -1 0 303.340 -0.233 20 0 DBADRM CC[C@@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000562354564 284007758 /nfs/dbraw/zinc/00/77/58/284007758.db2.gz FQEIWXDMMHVIBV-SECBINFHSA-N -1 0 320.305 -0.775 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)[C@H]2CCOC2)C[C@@]12CCOC2 ZINC000562425199 284009563 /nfs/dbraw/zinc/00/95/63/284009563.db2.gz ZHUMKVUGXGJYCT-JBLDHEPKSA-N -1 0 305.352 -0.472 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC(C)(C)[C@H]1C(=O)[O-] ZINC000562736920 284014069 /nfs/dbraw/zinc/01/40/69/284014069.db2.gz HXMZQUCRRXFFQK-SNVBAGLBSA-N -1 0 322.383 -0.089 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)CCOCC1CC1 ZINC000562999392 284019548 /nfs/dbraw/zinc/01/95/48/284019548.db2.gz MHZGSYKKCSTOPI-NSHDSACASA-N -1 0 317.367 -0.249 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)Cc2cc[nH]n2)C[C@H]1C(=O)[O-] ZINC000563133869 284025406 /nfs/dbraw/zinc/02/54/06/284025406.db2.gz PLISSIHKHUSYAY-GXSJLCMTSA-N -1 0 308.338 -0.063 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000563130540 284025418 /nfs/dbraw/zinc/02/54/18/284025418.db2.gz LEIVOIMJSCAYKC-LPEHRKFASA-N -1 0 320.367 -0.841 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)c1 ZINC000563131301 284025423 /nfs/dbraw/zinc/02/54/23/284025423.db2.gz HQYCQLKZOHBSNG-AWEZNQCLSA-N -1 0 308.290 -0.409 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)co1 ZINC000563133303 284025435 /nfs/dbraw/zinc/02/54/35/284025435.db2.gz YXGDMYFWJOHNAF-ZETCQYMHSA-N -1 0 302.308 -0.266 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)CCn2cccn2)C[C@@H]1C(=O)[O-] ZINC000563139619 284025741 /nfs/dbraw/zinc/02/57/41/284025741.db2.gz AFUKUYOPYXWNTM-NEPJUHHUSA-N -1 0 322.365 -0.089 20 0 DBADRM CC1(C)CN(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)CCO1 ZINC000563078832 284022066 /nfs/dbraw/zinc/02/20/66/284022066.db2.gz IYYHICWCBODVSN-NSHDSACASA-N -1 0 324.424 -0.108 20 0 DBADRM COc1cc(CNC(=O)C(=O)NCCCC(=O)[O-])ccc1O ZINC000563149660 284027127 /nfs/dbraw/zinc/02/71/27/284027127.db2.gz KEGVSMPTOYAFBU-UHFFFAOYSA-N -1 0 310.306 -0.002 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)C1(COC)CC1)C(=O)[O-] ZINC000563226535 284029700 /nfs/dbraw/zinc/02/97/00/284029700.db2.gz OJSBVZRKQHMZGQ-VIFPVBQESA-N -1 0 323.367 -0.119 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccn(C)n1 ZINC000563148065 284026418 /nfs/dbraw/zinc/02/64/18/284026418.db2.gz KUDIMKSJASMIEP-QMMMGPOBSA-N -1 0 318.355 -0.980 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCC(C)(CO)CO)c1 ZINC000563283229 284032734 /nfs/dbraw/zinc/03/27/34/284032734.db2.gz ASSBADLLYVVRPY-OAQYLSRUSA-N -1 0 315.391 -0.090 20 0 DBADRM CO[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H](C(=O)[O-])C1 ZINC000563449702 284040217 /nfs/dbraw/zinc/04/02/17/284040217.db2.gz PNTALQAEMNFVHN-UWVGGRQHSA-N -1 0 320.367 -0.888 20 0 DBADRM COCCO[C@H]1CCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000563536415 284042117 /nfs/dbraw/zinc/04/21/17/284042117.db2.gz KOWQRHVXTRLAEY-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000563532167 284042402 /nfs/dbraw/zinc/04/24/02/284042402.db2.gz JJZKHSOTURTYPY-IUCAKERBSA-N -1 0 307.372 -0.712 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000563569993 284043110 /nfs/dbraw/zinc/04/31/10/284043110.db2.gz YHSWVZCDYQLQTL-NXEZZACHSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCCn2ccnn2)C[C@H]1C(=O)[O-] ZINC000563715451 284047478 /nfs/dbraw/zinc/04/74/78/284047478.db2.gz XQORCIJJCCGAOO-WDEREUQCSA-N -1 0 323.353 -0.646 20 0 DBADRM O=C([O-])[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)ncn2)CCO1 ZINC000563719227 284047560 /nfs/dbraw/zinc/04/75/60/284047560.db2.gz XCCPSJHJVSAUNC-RYUDHWBXSA-N -1 0 322.365 -0.025 20 0 DBADRM O=C([O-])[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)ncn2)CCO1 ZINC000563719225 284047623 /nfs/dbraw/zinc/04/76/23/284047623.db2.gz XCCPSJHJVSAUNC-NEPJUHHUSA-N -1 0 322.365 -0.025 20 0 DBADRM O=C([O-])[C@H]1CN(c2cc(N3CCC[C@@H](CO)C3)ncn2)CCO1 ZINC000563719228 284047638 /nfs/dbraw/zinc/04/76/38/284047638.db2.gz XCCPSJHJVSAUNC-VXGBXAGGSA-N -1 0 322.365 -0.025 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)NC)c1)C(=O)[O-] ZINC000563624039 284045565 /nfs/dbraw/zinc/04/55/65/284045565.db2.gz KVGNAROJKDKFNB-SNVBAGLBSA-N -1 0 307.306 -0.036 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000563805233 284049072 /nfs/dbraw/zinc/04/90/72/284049072.db2.gz DKIZDQNSZLXZEE-LBPRGKRZSA-N -1 0 322.383 -0.623 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000564084344 284054830 /nfs/dbraw/zinc/05/48/30/284054830.db2.gz JLGVUJSYRNDRBF-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000564091106 284054931 /nfs/dbraw/zinc/05/49/31/284054931.db2.gz CIFNFALSMYNOHE-UHFFFAOYSA-N -1 0 311.309 -0.097 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000564509137 284061558 /nfs/dbraw/zinc/06/15/58/284061558.db2.gz MYBRUAWMYCNURT-UWVGGRQHSA-N -1 0 317.367 -0.127 20 0 DBADRM CNC(=O)C1(C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC000564572731 284062646 /nfs/dbraw/zinc/06/26/46/284062646.db2.gz UBHLFHROTWXJJE-VIFPVBQESA-N -1 0 321.337 -0.334 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000564824393 284067785 /nfs/dbraw/zinc/06/77/85/284067785.db2.gz MIINRNOANDSSPS-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000564821781 284067845 /nfs/dbraw/zinc/06/78/45/284067845.db2.gz HLFAMGWOTBLSLJ-UHFFFAOYSA-N -1 0 303.278 -0.302 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@@H]2C[C@H]2C2CC2)CCS1(=O)=O ZINC000564842427 284069007 /nfs/dbraw/zinc/06/90/07/284069007.db2.gz FUFUAECZFBHPGG-DCAQKATOSA-N -1 0 316.379 -0.074 20 0 DBADRM COCCOCCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000564923505 284071789 /nfs/dbraw/zinc/07/17/89/284071789.db2.gz QVWNXMKZMIPLQZ-UHFFFAOYSA-N -1 0 310.353 -0.217 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cnc3n2CCC3)CCO1 ZINC000564920307 284071958 /nfs/dbraw/zinc/07/19/58/284071958.db2.gz FRIOZOOGMBNHAF-MRVPVSSYSA-N -1 0 301.324 -0.697 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCOC[C@H]1CCCO1 ZINC000564922576 284072020 /nfs/dbraw/zinc/07/20/20/284072020.db2.gz AEMWUIZVIHBRTC-MNOVXSKESA-N -1 0 322.383 -0.435 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2CCNC(=O)CC2)c1 ZINC000564971248 284075160 /nfs/dbraw/zinc/07/51/60/284075160.db2.gz JPDDGGIZEPEXDQ-UHFFFAOYSA-N -1 0 305.290 -0.328 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)Cc2ccn(C)n2)C1=O ZINC000564978970 284075816 /nfs/dbraw/zinc/07/58/16/284075816.db2.gz PYGFBOQSYHIPOG-AAEUAGOBSA-N -1 0 322.365 -0.211 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)Cc1cccc(F)c1F ZINC000565058088 284080011 /nfs/dbraw/zinc/08/00/11/284080011.db2.gz SDFNMZFKCCWIAY-UHFFFAOYSA-N -1 0 322.289 -0.415 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])CC1 ZINC000565057945 284080133 /nfs/dbraw/zinc/08/01/33/284080133.db2.gz NQNKMUGADXGQTE-QMMMGPOBSA-N -1 0 309.340 -0.509 20 0 DBADRM O=C([O-])CCCCCNC(=O)C(=O)NCCN1CCCC1=O ZINC000565110035 284082989 /nfs/dbraw/zinc/08/29/89/284082989.db2.gz NRKZZOPYSLEIMF-UHFFFAOYSA-N -1 0 313.354 -0.514 20 0 DBADRM COCCn1nnc2c1CCN(c1ncncc1C(=O)[O-])C2 ZINC000565035899 284079202 /nfs/dbraw/zinc/07/92/02/284079202.db2.gz PPSODJVCWMXDDL-UHFFFAOYSA-N -1 0 304.310 -0.025 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2nccn2C)C[C@H]1C(=O)[O-] ZINC000565363845 284093514 /nfs/dbraw/zinc/09/35/14/284093514.db2.gz VPUNVBPQQYVZSD-GHMZBOCLSA-N -1 0 322.365 -0.052 20 0 DBADRM Cn1ccc(S(=O)(=O)NC(C)(C)CN2CCOCC2)n1 ZINC000565537183 284098428 /nfs/dbraw/zinc/09/84/28/284098428.db2.gz TXBDOVPOSYUACS-UHFFFAOYSA-N -1 0 302.400 -0.191 20 0 DBADRM O=S(=O)([N-]C[C@H](O)Cn1ccnn1)c1c(F)cccc1F ZINC000565609559 284100200 /nfs/dbraw/zinc/10/02/00/284100200.db2.gz OWXWSRXRYGPFOB-QMMMGPOBSA-N -1 0 318.305 -0.104 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000565833667 284105540 /nfs/dbraw/zinc/10/55/40/284105540.db2.gz ODFZNOJOKSAWCJ-MNOVXSKESA-N -1 0 300.355 -0.214 20 0 DBADRM CCOC(=O)C(NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)OCC ZINC000565718605 284103280 /nfs/dbraw/zinc/10/32/80/284103280.db2.gz COYIMIVVMWEGHY-JGVFFNPUSA-N -1 0 317.294 -0.770 20 0 DBADRM O=C([O-])CN(C(=O)NCCCn1ccnn1)C1CCOCC1 ZINC000565753764 284103606 /nfs/dbraw/zinc/10/36/06/284103606.db2.gz NZTHSOBQTPCPFF-UHFFFAOYSA-N -1 0 311.342 -0.057 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000450539465 304146049 /nfs/dbraw/zinc/14/60/49/304146049.db2.gz KCTWIQVSLKDXRM-GMTAPVOTSA-N -1 0 316.379 -0.266 20 0 DBADRM COC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)[O-] ZINC000565825371 284104606 /nfs/dbraw/zinc/10/46/06/284104606.db2.gz FWSSLKDKOAUGOZ-VIFPVBQESA-N -1 0 323.367 -0.261 20 0 DBADRM Cn1cnc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)c1 ZINC000565876713 284106629 /nfs/dbraw/zinc/10/66/29/284106629.db2.gz GRTFDYWZAVEELV-SKDRFNHKSA-N -1 0 315.351 -0.468 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000565895170 284107063 /nfs/dbraw/zinc/10/70/63/284107063.db2.gz PTNLDYYNWZBZGN-UHFFFAOYSA-N -1 0 311.338 -0.953 20 0 DBADRM Cc1cccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 ZINC000019803180 182151838 /nfs/dbraw/zinc/15/18/38/182151838.db2.gz KCHULKDMULFOAP-JTQLQIEISA-N -1 0 300.336 -0.008 20 0 DBADRM CCN(CC(=O)[O-])CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000038017627 284418197 /nfs/dbraw/zinc/41/81/97/284418197.db2.gz JUFZPDRHYBBRPO-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)N1CCOCC1 ZINC000231931922 374273177 /nfs/dbraw/zinc/27/31/77/374273177.db2.gz QZCRNFWBTCTVOG-MXWKQRLJSA-N -1 0 304.368 -0.252 20 0 DBADRM C=CCCOCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000231791203 374237793 /nfs/dbraw/zinc/23/77/93/374237793.db2.gz LQYAQJUOTZSUQS-UHFFFAOYSA-N -1 0 303.340 -0.161 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000625154637 374373195 /nfs/dbraw/zinc/37/31/95/374373195.db2.gz ZLVOUQOUCNPWLM-QMMMGPOBSA-N -1 0 312.351 -0.586 20 0 DBADRM CCc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1 ZINC000037406594 374386415 /nfs/dbraw/zinc/38/64/15/374386415.db2.gz RVJVVTZFRZBZQJ-SNVBAGLBSA-N -1 0 300.336 -0.144 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@](C)(O)C(F)(F)F ZINC000447773594 374410579 /nfs/dbraw/zinc/41/05/79/374410579.db2.gz UHKSACJWIASUAF-SVRRBLITSA-N -1 0 306.306 -0.304 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000049606965 374413103 /nfs/dbraw/zinc/41/31/03/374413103.db2.gz DOOWFJXWJNKTJN-AOOOYVTPSA-N -1 0 310.372 -0.627 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)nc1C ZINC000050265577 374421999 /nfs/dbraw/zinc/42/19/99/374421999.db2.gz XVEKUPJQMTUOLZ-VIFPVBQESA-N -1 0 303.340 -0.314 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000122111766 374426817 /nfs/dbraw/zinc/42/68/17/374426817.db2.gz YZWDWPCJFWDUOP-QMMMGPOBSA-N -1 0 300.336 -0.287 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])cn1C ZINC000133212000 374430267 /nfs/dbraw/zinc/43/02/67/374430267.db2.gz VNBPDAGUUGYPDV-SFYZADRCSA-N -1 0 317.367 -0.228 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000130004770 374430454 /nfs/dbraw/zinc/43/04/54/374430454.db2.gz HNNPTGPGNVYDJD-QMMMGPOBSA-N -1 0 321.380 -0.278 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC000332918988 374441707 /nfs/dbraw/zinc/44/17/07/374441707.db2.gz AUWTVSCHVYDACX-BBBLOLIVSA-N -1 0 320.367 -0.841 20 0 DBADRM CC(C)[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(N)=O ZINC000625354076 374461285 /nfs/dbraw/zinc/46/12/85/374461285.db2.gz WTMTWIQOJHEGQF-SNVBAGLBSA-N -1 0 314.367 -0.307 20 0 DBADRM O=C([O-])CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21 ZINC000034277731 374467811 /nfs/dbraw/zinc/46/78/11/374467811.db2.gz CCNCEKNYUXATHY-DKCNOQQISA-N -1 0 301.368 -0.087 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000536308211 374530921 /nfs/dbraw/zinc/53/09/21/374530921.db2.gz DMQYYKXHKIBIHH-ZETCQYMHSA-N -1 0 322.364 -0.572 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CO1 ZINC000616496610 374532238 /nfs/dbraw/zinc/53/22/38/374532238.db2.gz KLMYSSWFSKXFTH-YUMQZZPRSA-N -1 0 300.336 -0.053 20 0 DBADRM COC(=O)Cc1cccc(NC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC000616504705 374533275 /nfs/dbraw/zinc/53/32/75/374533275.db2.gz SGGCZXUTNYGQMF-UHFFFAOYSA-N -1 0 318.289 -0.151 20 0 DBADRM CCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])s1 ZINC000048440802 374571411 /nfs/dbraw/zinc/57/14/11/374571411.db2.gz ROBDAZQNWUKVHT-UHFFFAOYSA-N -1 0 306.365 -0.210 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634698435 374591664 /nfs/dbraw/zinc/59/16/64/374591664.db2.gz LQYPPGNQHJPTCZ-WHOHXGKFSA-N -1 0 310.350 -0.340 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634698433 374592680 /nfs/dbraw/zinc/59/26/80/374592680.db2.gz LQYPPGNQHJPTCZ-KKOKHZNYSA-N -1 0 310.350 -0.340 20 0 DBADRM C[C@@H](NC(=O)CN(C)S(C)(=O)=O)c1ncc(C(=O)[O-])s1 ZINC000621609914 374600840 /nfs/dbraw/zinc/60/08/40/374600840.db2.gz XZRDVTBWIYSFQE-ZCFIWIBFSA-N -1 0 321.380 -0.090 20 0 DBADRM Cc1ccncc1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000584175997 374644476 /nfs/dbraw/zinc/64/44/76/374644476.db2.gz SCDRTPOHDCENSV-UGZDLDLSSA-N -1 0 318.376 -0.404 20 0 DBADRM O=C([O-])c1cn(CCNS(=O)(=O)N2CCCCCC2)nn1 ZINC000089696026 374636676 /nfs/dbraw/zinc/63/66/76/374636676.db2.gz KHRSEDXJENXQGF-UHFFFAOYSA-N -1 0 317.371 -0.313 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000576636280 374639003 /nfs/dbraw/zinc/63/90/03/374639003.db2.gz BLQDACOGJSEGMD-LBPRGKRZSA-N -1 0 322.383 -0.735 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000584113518 374642640 /nfs/dbraw/zinc/64/26/40/374642640.db2.gz VFZCOJFZFYFUPT-JOYOIKCWSA-N -1 0 322.317 -0.069 20 0 DBADRM CC(C)O[C@]1(CS(=O)(=O)[N-][C@H]2COCCC2=O)CCOC1 ZINC000625493335 374659631 /nfs/dbraw/zinc/65/96/31/374659631.db2.gz XNOAWPSQFZIZQB-WCQYABFASA-N -1 0 321.395 -0.152 20 0 DBADRM CC(C)O[C@]1(CS(=O)(=O)[N-][C@@H]2COCCC2=O)CCOC1 ZINC000625493334 374659694 /nfs/dbraw/zinc/65/96/94/374659694.db2.gz XNOAWPSQFZIZQB-DGCLKSJQSA-N -1 0 321.395 -0.152 20 0 DBADRM NC(=O)C[C@@H]1CN(S(=O)(=O)c2ccccc2[O-])CCO1 ZINC000625615263 374705498 /nfs/dbraw/zinc/70/54/98/374705498.db2.gz VMNKIKRQRKXUAP-SECBINFHSA-N -1 0 300.336 -0.343 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000625784206 374723630 /nfs/dbraw/zinc/72/36/30/374723630.db2.gz JGVJPFYTBDJEKJ-SSDOTTSWSA-N -1 0 300.340 -0.553 20 0 DBADRM CS(=O)(=O)NCCNC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000040578729 374731955 /nfs/dbraw/zinc/73/19/55/374731955.db2.gz OIEUQDVAKZPTKI-UHFFFAOYSA-N -1 0 307.372 -0.378 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H](CCOC)C(=O)[O-])nc1C ZINC000052785764 374797838 /nfs/dbraw/zinc/79/78/38/374797838.db2.gz ZGJAZNOFEDIPNU-VIFPVBQESA-N -1 0 305.356 -0.021 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@H](CCOC)C(=O)[O-])nc1C ZINC000052785765 374798883 /nfs/dbraw/zinc/79/88/83/374798883.db2.gz ZGJAZNOFEDIPNU-SECBINFHSA-N -1 0 305.356 -0.021 20 0 DBADRM O=C(c1cccc(O)c1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000092643083 374805682 /nfs/dbraw/zinc/80/56/82/374805682.db2.gz GMXMIORHMKGKRE-UHFFFAOYSA-N -1 0 303.322 -0.238 20 0 DBADRM CC(C)[C@@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400106299 374806764 /nfs/dbraw/zinc/80/67/64/374806764.db2.gz DAXPKFALBJSGKH-VHSXEESVSA-N -1 0 321.399 -0.181 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NC/C=C/C(=O)[O-])cn1C ZINC000278815653 374807251 /nfs/dbraw/zinc/80/72/51/374807251.db2.gz XJUOKDCKGOMBLB-ONEGZZNKSA-N -1 0 301.324 -0.696 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000400107734 374807572 /nfs/dbraw/zinc/80/75/72/374807572.db2.gz DKEPHSHWYHTABE-UTLUCORTSA-N -1 0 304.368 -0.363 20 0 DBADRM O=C([O-])CSCC(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000128043932 374771040 /nfs/dbraw/zinc/77/10/40/374771040.db2.gz LTKIUIRMQKUYTH-UHFFFAOYSA-N -1 0 312.351 -0.082 20 0 DBADRM COC(=O)C[C@H]1CN(S(=O)(=O)[N-]CC(F)(F)F)CCO1 ZINC000127713637 374771186 /nfs/dbraw/zinc/77/11/86/374771186.db2.gz HALJLYFVZQKRCU-ZETCQYMHSA-N -1 0 320.289 -0.353 20 0 DBADRM Cc1sc2ncn(CC(=O)NCc3nnn[n-]3)c(=O)c2c1C ZINC000600494711 374783914 /nfs/dbraw/zinc/78/39/14/374783914.db2.gz JIHZAZLDZBUNJG-UHFFFAOYSA-N -1 0 319.350 -0.096 20 0 DBADRM O=C(NCc1nnn[n-]1)c1nc2ncc(Br)cn2n1 ZINC000600496965 374785501 /nfs/dbraw/zinc/78/55/01/374785501.db2.gz XSGKDMGDEXHERQ-UHFFFAOYSA-N -1 0 324.102 -0.670 20 0 DBADRM Cc1cccc([C@H](CC(=O)NCc2nnn[n-]2)NC(N)=O)c1 ZINC000600496729 374785814 /nfs/dbraw/zinc/78/58/14/374785814.db2.gz UYFJYKHIFHUUQT-JTQLQIEISA-N -1 0 303.326 -0.076 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)C2(C(=O)[O-])CCC2)C1 ZINC000400252508 374900843 /nfs/dbraw/zinc/90/08/43/374900843.db2.gz CUYFOIVDFLUUAI-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400180060 374887948 /nfs/dbraw/zinc/88/79/48/374887948.db2.gz GSJKUMXETFQSGD-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CC[C@](C)(NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400198134 374890199 /nfs/dbraw/zinc/89/01/99/374890199.db2.gz PWTIXXRVQGIXRE-KCJUWKMLSA-N -1 0 307.372 -0.427 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)NC2(C(=O)[O-])CCC2)C1 ZINC000400205915 374890581 /nfs/dbraw/zinc/89/05/81/374890581.db2.gz TXKREBCOEQKYEX-QMMMGPOBSA-N -1 0 305.356 -0.673 20 0 DBADRM CCC[C@@](C)(NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400231360 374894041 /nfs/dbraw/zinc/89/40/41/374894041.db2.gz MCQMVHGDSGKIPF-BXKDBHETSA-N -1 0 321.399 -0.037 20 0 DBADRM CCC[C@](C)(NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400231384 374894719 /nfs/dbraw/zinc/89/47/19/374894719.db2.gz MCQMVHGDSGKIPF-SKDRFNHKSA-N -1 0 321.399 -0.037 20 0 DBADRM CCC[C@@](C)(NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400231376 374895241 /nfs/dbraw/zinc/89/52/41/374895241.db2.gz MCQMVHGDSGKIPF-JOYOIKCWSA-N -1 0 321.399 -0.037 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400231510 374895609 /nfs/dbraw/zinc/89/56/09/374895609.db2.gz MDSLPWHKUKINSI-VHSXEESVSA-N -1 0 321.399 -0.085 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400231518 374895634 /nfs/dbraw/zinc/89/56/34/374895634.db2.gz MDSLPWHKUKINSI-ZJUUUORDSA-N -1 0 321.399 -0.085 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000600660524 374837623 /nfs/dbraw/zinc/83/76/23/374837623.db2.gz WRWWIHYYDXCCTM-SSDOTTSWSA-N -1 0 317.323 -0.597 20 0 DBADRM CCOC(=O)[C@@H]1c2ccoc2CCN1CC(=O)NCC(=O)[O-] ZINC000600702689 374842216 /nfs/dbraw/zinc/84/22/16/374842216.db2.gz OUNIMXOYNQAQDX-ZDUSSCGKSA-N -1 0 310.306 -0.057 20 0 DBADRM O=C(CNC(=O)c1ccccc1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000370891293 374927442 /nfs/dbraw/zinc/92/74/42/374927442.db2.gz IYBZDSCUJMPEAN-NSHDSACASA-N -1 0 316.321 -0.470 20 0 DBADRM C[C@@H](CNC(=O)CSCC(=O)N1CCOCC1)C(=O)[O-] ZINC000054309972 374929027 /nfs/dbraw/zinc/92/90/27/374929027.db2.gz WUAOFQNTNRMOLD-VIFPVBQESA-N -1 0 304.368 -0.585 20 0 DBADRM CC(C)C[C@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400276175 374904614 /nfs/dbraw/zinc/90/46/14/374904614.db2.gz GRJVXLVCZLBZSF-ZJUUUORDSA-N -1 0 321.399 -0.181 20 0 DBADRM C[C@@H](CN(C)S(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000042702938 374908362 /nfs/dbraw/zinc/90/83/62/374908362.db2.gz KIEATDVVMRZEOO-ZETCQYMHSA-N -1 0 303.340 -0.535 20 0 DBADRM C[C@H](CN(C)S(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000042702939 374908686 /nfs/dbraw/zinc/90/86/86/374908686.db2.gz KIEATDVVMRZEOO-SSDOTTSWSA-N -1 0 303.340 -0.535 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C[C@]2(C(=O)[O-])CCOC2)CC1=O ZINC000634892224 375070196 /nfs/dbraw/zinc/07/01/96/375070196.db2.gz LTMBBMHIPNAPCA-DZHLUBAWSA-N -1 0 310.350 -0.007 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C1 ZINC000634893156 375070208 /nfs/dbraw/zinc/07/02/08/375070208.db2.gz GUHFLNYHWRHDNK-NEPJUHHUSA-N -1 0 310.350 -0.031 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]2C(=O)[O-])CCN1S(C)(=O)=O ZINC000634910533 375072178 /nfs/dbraw/zinc/07/21/78/375072178.db2.gz DIOFIGZGVINMNG-HBNTYKKESA-N -1 0 318.395 -0.020 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000634924531 375077136 /nfs/dbraw/zinc/07/71/36/375077136.db2.gz BZJCDQBLBXLFNM-VHSXEESVSA-N -1 0 307.354 -0.180 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCN(c2nccnn2)CC1 ZINC000634937664 375078236 /nfs/dbraw/zinc/07/82/36/375078236.db2.gz PVIQZRIVELISLY-UWVGGRQHSA-N -1 0 305.338 -0.123 20 0 DBADRM O=C([O-])[C@H]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000634938406 375079422 /nfs/dbraw/zinc/07/94/22/375079422.db2.gz HNQXYAZRVLBUGE-MNOVXSKESA-N -1 0 316.379 -0.266 20 0 DBADRM CCN1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1 ZINC000635058623 375085579 /nfs/dbraw/zinc/08/55/79/375085579.db2.gz MIAFFOCADABRBS-UHFFFAOYSA-N -1 0 301.354 -0.147 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000635115391 375092826 /nfs/dbraw/zinc/09/28/26/375092826.db2.gz FUPQVBGFNQBNEM-GFCCVEGCSA-N -1 0 308.386 -0.154 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=N[C@@H]2COC[C@H]2OC)cc1 ZINC000631319768 375050817 /nfs/dbraw/zinc/05/08/17/375050817.db2.gz NEYMEVTZWLZLSP-CHWSQXEVSA-N -1 0 305.338 -0.022 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NC[C@@H](C)CC(=O)[O-])cn1C ZINC000147317770 375127807 /nfs/dbraw/zinc/12/78/07/375127807.db2.gz DKFOUJXDBHSLHE-QMMMGPOBSA-N -1 0 317.367 -0.226 20 0 DBADRM COCCN1CCN(C(=O)NCCCCC(=O)[O-])CC1=O ZINC000635521395 375137148 /nfs/dbraw/zinc/13/71/48/375137148.db2.gz YTHHYOSDZIZOIB-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCN(C(C)=O)C2)C1 ZINC000635520556 375137445 /nfs/dbraw/zinc/13/74/45/375137445.db2.gz HDGNFAAJKICMEF-RISCZKNCSA-N -1 0 313.354 -0.260 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2COC[C@H]2OC)C1 ZINC000635519029 375138500 /nfs/dbraw/zinc/13/85/00/375138500.db2.gz IMJTVRBMZITNCY-GIPNMCIBSA-N -1 0 302.327 -0.467 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000635524188 375139807 /nfs/dbraw/zinc/13/98/07/375139807.db2.gz WBFZLSXORNOYBV-MNOVXSKESA-N -1 0 302.327 -0.323 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000635524800 375139935 /nfs/dbraw/zinc/13/99/35/375139935.db2.gz QJHNJHAMVUMBNQ-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM COCCO[C@@H]1CCCN(C(=O)NCCOCC(=O)[O-])C1 ZINC000635524579 375139954 /nfs/dbraw/zinc/13/99/54/375139954.db2.gz NORBWDYEEIELRB-LLVKDONJSA-N -1 0 304.343 -0.075 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000635524187 375140281 /nfs/dbraw/zinc/14/02/81/375140281.db2.gz WBFZLSXORNOYBV-GHMZBOCLSA-N -1 0 302.327 -0.323 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262780652 375142156 /nfs/dbraw/zinc/14/21/56/375142156.db2.gz OCQFZBXKAHASMZ-RKDXNWHRSA-N -1 0 322.383 -0.738 20 0 DBADRM O=C(Cn1cc(Br)cn1)NCc1n[nH]c(=O)[n-]1 ZINC000359838071 375177755 /nfs/dbraw/zinc/17/77/55/375177755.db2.gz OXDFACSDZAAZKK-UHFFFAOYSA-N -1 0 301.104 -0.214 20 0 DBADRM COC(=O)c1cn(CCNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])nn1 ZINC000585728241 375243664 /nfs/dbraw/zinc/24/36/64/375243664.db2.gz LLTZYRLDUUWZOW-VHSXEESVSA-N -1 0 322.321 -0.152 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccccc1OC)C(=O)[O-] ZINC000216273565 375197432 /nfs/dbraw/zinc/19/74/32/375197432.db2.gz JTKNWIIJUHXYPC-MRVPVSSYSA-N -1 0 317.319 -0.010 20 0 DBADRM COC[C@H](CCO)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000626149441 375199386 /nfs/dbraw/zinc/19/93/86/375199386.db2.gz QLXZPVXJIPEANF-JTQLQIEISA-N -1 0 317.367 -0.420 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)C1 ZINC000331962804 304190286 /nfs/dbraw/zinc/19/02/86/304190286.db2.gz PROAANVGNOGRDE-GARJFASQSA-N -1 0 323.349 -0.811 20 0 DBADRM COC[C@](C)(O)CN=c1nn[n-]n1Cc1ccc(OC)cc1 ZINC000631116648 375336121 /nfs/dbraw/zinc/33/61/21/375336121.db2.gz RMKPEDSTWJTVFS-CQSZACIVSA-N -1 0 307.354 -0.039 20 0 DBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000570448630 375363021 /nfs/dbraw/zinc/36/30/21/375363021.db2.gz NBVCWLIGLXXXLO-VHSXEESVSA-N -1 0 317.367 -0.019 20 0 DBADRM CCC[C@@H](NC(=O)[C@H]1CCc2nnnn2CC1)c1nnn[n-]1 ZINC000572607872 375363118 /nfs/dbraw/zinc/36/31/18/375363118.db2.gz LGQYIPJSLKSEEC-DTWKUNHWSA-N -1 0 305.346 -0.204 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000570519285 375369063 /nfs/dbraw/zinc/36/90/63/375369063.db2.gz TWAOIIOFEZMNCS-NTSWFWBYSA-N -1 0 320.289 -0.212 20 0 DBADRM C/C=C/C[C@H](NC(=O)NCCNS(=O)(=O)CC)C(=O)[O-] ZINC000570890289 375399778 /nfs/dbraw/zinc/39/97/78/375399778.db2.gz CICCGBDZNZMJQJ-SGRBOOSSSA-N -1 0 307.372 -0.356 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC000570746727 375385776 /nfs/dbraw/zinc/38/57/76/375385776.db2.gz RHQZVLKYZKBGIS-QXEWZRGKSA-N -1 0 311.338 -0.909 20 0 DBADRM Cc1cc(N2CCC[C@H](NC(=O)c3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC000570769561 375388285 /nfs/dbraw/zinc/38/82/85/375388285.db2.gz LTJOLGPAVDORDW-VIFPVBQESA-N -1 0 305.342 -0.049 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)N(C)CC(=O)[O-])cc1 ZINC000580074173 375428973 /nfs/dbraw/zinc/42/89/73/375428973.db2.gz HNALAHCLCLYWSY-UHFFFAOYSA-N -1 0 300.336 -0.184 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000589227498 375453344 /nfs/dbraw/zinc/45/33/44/375453344.db2.gz DVBJPOUVSCXHSN-SECBINFHSA-N -1 0 323.367 -0.827 20 0 DBADRM NC(=O)[C@@]1(O)CCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000313867259 375487417 /nfs/dbraw/zinc/48/74/17/375487417.db2.gz KTDGEYUWCRFRRD-GFCCVEGCSA-N -1 0 304.224 -0.128 20 0 DBADRM COC(=O)Cc1cccc(NC(=O)NCc2n[nH]c(=O)[n-]2)n1 ZINC000616831845 375500524 /nfs/dbraw/zinc/50/05/24/375500524.db2.gz NQKHTQKFWJQTIY-UHFFFAOYSA-N -1 0 306.282 -0.058 20 0 DBADRM O=C(NCCn1cccn1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000109090766 375585840 /nfs/dbraw/zinc/58/58/40/375585840.db2.gz NLOLOWPNGQRSHW-UHFFFAOYSA-N -1 0 300.278 -0.762 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000312804245 375575876 /nfs/dbraw/zinc/57/58/76/375575876.db2.gz HKUOSLVUKZQOEC-DTWKUNHWSA-N -1 0 307.372 -0.712 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000312804241 375576317 /nfs/dbraw/zinc/57/63/17/375576317.db2.gz HKUOSLVUKZQOEC-BDAKNGLRSA-N -1 0 307.372 -0.712 20 0 DBADRM Cc1ccccc1CCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643151757 375618336 /nfs/dbraw/zinc/61/83/36/375618336.db2.gz WCYURBSFGVFXFI-CYBMUJFWSA-N -1 0 320.345 -0.034 20 0 DBADRM Cc1ccccc1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643151737 375619305 /nfs/dbraw/zinc/61/93/05/375619305.db2.gz VOMWUZYQNZSFSH-LBPRGKRZSA-N -1 0 306.318 -0.077 20 0 DBADRM CSCC[C@H](NS(=O)(=O)c1ncc[n-]1)C(=O)N(C)C ZINC000601416918 375605022 /nfs/dbraw/zinc/60/50/22/375605022.db2.gz DCSKWGYUKVLWFL-QMMMGPOBSA-N -1 0 306.413 -0.102 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC23CCC(CC2)C3)CCO1 ZINC000643166099 375655652 /nfs/dbraw/zinc/65/56/52/375655652.db2.gz UCDYGCNGFPQKGJ-VTWZXRTESA-N -1 0 310.350 -0.005 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(C)C(=O)C1 ZINC000194177735 375635711 /nfs/dbraw/zinc/63/57/11/375635711.db2.gz HKMZETZSDBCUOY-VIFPVBQESA-N -1 0 309.288 -0.010 20 0 DBADRM O=C([O-])[C@@H]1CNC(=O)CN1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000322780152 375637765 /nfs/dbraw/zinc/63/77/65/375637765.db2.gz LLSZHIDTGROURM-VIFPVBQESA-N -1 0 321.289 -0.125 20 0 DBADRM Cc1cccc(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000643157119 375638108 /nfs/dbraw/zinc/63/81/08/375638108.db2.gz MBIBBRJHPWPVJE-CYBMUJFWSA-N -1 0 320.345 -0.034 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])nc1Cl ZINC000364426254 375640024 /nfs/dbraw/zinc/64/00/24/375640024.db2.gz ZQRNJNAZPBZRKE-ZETCQYMHSA-N -1 0 323.758 -0.062 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCNC2=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000616965079 375691257 /nfs/dbraw/zinc/69/12/57/375691257.db2.gz VBOIRAUBQDWKDU-LURJTMIESA-N -1 0 303.278 -0.637 20 0 DBADRM CC[C@@H](CSC)N(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591569844 375718654 /nfs/dbraw/zinc/71/86/54/375718654.db2.gz VBGWKDNPHOZQQA-VHSXEESVSA-N -1 0 318.395 -0.102 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000643169274 375699208 /nfs/dbraw/zinc/69/92/08/375699208.db2.gz LJRMUPPSLSADKA-ZETOZRRWSA-N -1 0 310.350 -0.007 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)N(CCOC)CC(=O)[O-])CC1 ZINC000591350210 375712191 /nfs/dbraw/zinc/71/21/91/375712191.db2.gz DXSXHGNLKZYTPA-UHFFFAOYSA-N -1 0 323.367 -0.165 20 0 DBADRM CCSCCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591459280 375715724 /nfs/dbraw/zinc/71/57/24/375715724.db2.gz WLZHIQROGLSFLW-SECBINFHSA-N -1 0 304.368 -0.442 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@H](C)C(=O)OC)C1 ZINC000591744823 375744012 /nfs/dbraw/zinc/74/40/12/375744012.db2.gz PBELCOLWKNNJAH-JOYOIKCWSA-N -1 0 323.367 -0.452 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000592138325 375781071 /nfs/dbraw/zinc/78/10/71/375781071.db2.gz XQNIGAGLYFGERJ-IDHHQXPSSA-N -1 0 312.413 -0.521 20 0 DBADRM CCOC(=O)c1nc(NC(=O)[C@@H]2CCN(C)S2(=O)=O)c[nH]1 ZINC000592793440 375823035 /nfs/dbraw/zinc/82/30/35/375823035.db2.gz RHBZFLZSQQFNDI-ZETCQYMHSA-N -1 0 316.339 -0.441 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2F)CCO1 ZINC000643174117 375845377 /nfs/dbraw/zinc/84/53/77/375845377.db2.gz AQCZNMDEOANMJZ-BBBLOLIVSA-N -1 0 302.302 -0.305 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000593272212 375853938 /nfs/dbraw/zinc/85/39/38/375853938.db2.gz GTGRJRCHIYRICR-JTQLQIEISA-N -1 0 322.383 -0.183 20 0 DBADRM COC(=O)[C@@H](CF)[N-]S(=O)(=O)CC1(OC)CCOCC1 ZINC000593595927 375873785 /nfs/dbraw/zinc/87/37/85/375873785.db2.gz LHEJVPYFAGYXGF-SECBINFHSA-N -1 0 313.347 -0.388 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000593925207 375897749 /nfs/dbraw/zinc/89/77/49/375897749.db2.gz RDBAFUCRYAWMSO-UTLUCORTSA-N -1 0 312.322 -0.623 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)C(C)(C)NS(C)(=O)=O)[n-]1 ZINC000593900826 375899348 /nfs/dbraw/zinc/89/93/48/375899348.db2.gz FUKWMDDWIRALNS-UHFFFAOYSA-N -1 0 318.355 -0.147 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)[C@H]2CCS(=O)(=O)N2)[n-]1 ZINC000593902103 375899421 /nfs/dbraw/zinc/89/94/21/375899421.db2.gz ZQRHGQKBAMXUPX-ZCFIWIBFSA-N -1 0 302.312 -0.783 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)CN2CCCS2(=O)=O)[n-]1 ZINC000593900315 375899957 /nfs/dbraw/zinc/89/99/57/375899957.db2.gz BOUYBYXHXBGPJT-UHFFFAOYSA-N -1 0 316.339 -0.440 20 0 DBADRM C[C@H]1C[C@H](O)CN1C(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000643179819 375902783 /nfs/dbraw/zinc/90/27/83/375902783.db2.gz OORNUPKEEAPJRG-CABZTGNLSA-N -1 0 306.318 -0.017 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1c([O-])cc(F)cc1F ZINC000594350562 375922912 /nfs/dbraw/zinc/92/29/12/375922912.db2.gz DJPAKBZPJOTXJC-UHFFFAOYSA-N -1 0 302.233 -0.311 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000594544400 375933674 /nfs/dbraw/zinc/93/36/74/375933674.db2.gz KJAADRPCCMLTHD-VHSXEESVSA-N -1 0 314.338 -0.375 20 0 DBADRM CCOC(=O)C1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000594547002 375934167 /nfs/dbraw/zinc/93/41/67/375934167.db2.gz ZEYMORDUCDXVPP-VIFPVBQESA-N -1 0 314.338 -0.375 20 0 DBADRM COC(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000594546954 375934303 /nfs/dbraw/zinc/93/43/03/375934303.db2.gz YEABZHTUARBJMY-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCC1([S@@](C)=O)CCC1)C(=O)[O-] ZINC000594530796 375935433 /nfs/dbraw/zinc/93/54/33/375935433.db2.gz UKBYRJYNOIQVCA-ZPWHCFADSA-N -1 0 304.368 -0.759 20 0 DBADRM CSC1(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])CCOCC1 ZINC000594531062 375935995 /nfs/dbraw/zinc/93/59/95/375935995.db2.gz WDIPVYARKQFOKK-VIFPVBQESA-N -1 0 318.395 -0.148 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000594529816 375936194 /nfs/dbraw/zinc/93/61/94/375936194.db2.gz MGXWZQROPCVJKC-DTWKUNHWSA-N -1 0 302.327 -0.473 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](CCF)C(=O)[O-] ZINC000594574054 375937093 /nfs/dbraw/zinc/93/70/93/375937093.db2.gz YBOLSDVUJSHPGA-ZETCQYMHSA-N -1 0 300.308 -0.872 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)CC1 ZINC000594689875 375942110 /nfs/dbraw/zinc/94/21/10/375942110.db2.gz HAGPZYJKWUYRRA-GFCCVEGCSA-N -1 0 321.351 -0.365 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccccc1[O-])C(=O)OC ZINC000594743891 375945816 /nfs/dbraw/zinc/94/58/16/375945816.db2.gz ZHILSZFAOWZUQZ-QMMMGPOBSA-N -1 0 317.319 -0.225 20 0 DBADRM CSC[C@@H](C)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595276966 375991488 /nfs/dbraw/zinc/99/14/88/375991488.db2.gz ZJHDTCCORNKCMP-JRKPZEMJSA-N -1 0 316.379 -0.586 20 0 DBADRM COC(=O)CCN1CCC[C@@H](N(C)Cc2n[n-]c(=O)o2)C1=O ZINC000595546913 376015698 /nfs/dbraw/zinc/01/56/98/376015698.db2.gz PSPCVDBZHNEJGG-SECBINFHSA-N -1 0 312.326 -0.239 20 0 DBADRM COC(=O)[C@H](C)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000595237365 375985722 /nfs/dbraw/zinc/98/57/22/375985722.db2.gz BTEMUQZIWNZAET-SSDOTTSWSA-N -1 0 309.278 -0.356 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C[C@@H]1C ZINC000595275794 375989438 /nfs/dbraw/zinc/98/94/38/375989438.db2.gz ISRGVIHLUPSAKC-KXUCPTDWSA-N -1 0 314.338 -0.519 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C[C@@H]1C ZINC000595275795 375989662 /nfs/dbraw/zinc/98/96/62/375989662.db2.gz ISRGVIHLUPSAKC-LPEHRKFASA-N -1 0 314.338 -0.519 20 0 DBADRM COC(=O)[C@H](C)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597064089 376112049 /nfs/dbraw/zinc/11/20/49/376112049.db2.gz CNRRYZSFGOYALD-SSDOTTSWSA-N -1 0 316.335 -0.422 20 0 DBADRM COC(=O)[C@@H](C)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597600577 376155832 /nfs/dbraw/zinc/15/58/32/376155832.db2.gz ROOCXDDKCHOLHY-SSDOTTSWSA-N -1 0 316.335 -0.327 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)CC1 ZINC000054505338 376227500 /nfs/dbraw/zinc/22/75/00/376227500.db2.gz YHUXFMFPOCPCSJ-JTQLQIEISA-N -1 0 320.367 -0.431 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)[C@H]2COC(C)(C)C2)CCOC1 ZINC000599256686 376263881 /nfs/dbraw/zinc/26/38/81/376263881.db2.gz CLAFLBCUEWOZDS-SKDRFNHKSA-N -1 0 307.368 -0.195 20 0 DBADRM CCOC(=O)CC[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599248469 376265089 /nfs/dbraw/zinc/26/50/89/376265089.db2.gz LUAHOYLBJCZJFJ-UHFFFAOYSA-N -1 0 306.296 -0.307 20 0 DBADRM CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599260012 376266503 /nfs/dbraw/zinc/26/65/03/376266503.db2.gz ZKFXLFMNVJEYQV-SSDOTTSWSA-N -1 0 320.323 -0.061 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)CC2CC2)on1 ZINC000599266362 376266835 /nfs/dbraw/zinc/26/68/35/376266835.db2.gz XXQNQPFNAKKIIQ-QMMMGPOBSA-N -1 0 304.324 -0.100 20 0 DBADRM CCO[C@@H](CS(=O)(=O)[N-][C@@H](COC)C(=O)OC)C1CC1 ZINC000599273941 376268342 /nfs/dbraw/zinc/26/83/42/376268342.db2.gz KPUDRRKTNHRMGA-QWRGUYRKSA-N -1 0 309.384 -0.091 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCn2ccnn2)on1 ZINC000599272124 376268378 /nfs/dbraw/zinc/26/83/78/376268378.db2.gz QASGHMNFFQGBIA-UHFFFAOYSA-N -1 0 301.284 -0.969 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)CCc1c(F)cccc1F ZINC000599281693 376270334 /nfs/dbraw/zinc/27/03/34/376270334.db2.gz HNESNHVPRPEROR-NSHDSACASA-N -1 0 323.317 -0.039 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC2([S@](C)=O)CC2)on1 ZINC000599299018 376270780 /nfs/dbraw/zinc/27/07/80/376270780.db2.gz DRESVFCMSMOBDL-IBGZPJMESA-N -1 0 322.364 -0.349 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cc(C)nn2C)on1 ZINC000599301775 376272506 /nfs/dbraw/zinc/27/25/06/376272506.db2.gz AGCNJNQCCDVUHS-UHFFFAOYSA-N -1 0 314.323 -0.018 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C(=O)NCC[C@H]2C)on1 ZINC000599300445 376272561 /nfs/dbraw/zinc/27/25/61/376272561.db2.gz YWIHQGMQMOCQQQ-HZGVNTEJSA-N -1 0 317.323 -0.736 20 0 DBADRM COC[C@](C)(O)CC[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599315994 376274770 /nfs/dbraw/zinc/27/47/70/376274770.db2.gz YUPLULPNUOPKNR-LLVKDONJSA-N -1 0 322.339 -0.473 20 0 DBADRM COC[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)OC)no1)OC ZINC000599338165 376277619 /nfs/dbraw/zinc/27/76/19/376277619.db2.gz QBRIRTOLOHKESR-MRVPVSSYSA-N -1 0 322.339 -0.209 20 0 DBADRM COC(=O)c1cnn(CC(=O)NC2(c3nnn[n-]3)CCCC2)c1 ZINC000599528159 376308353 /nfs/dbraw/zinc/30/83/53/376308353.db2.gz BKVMPIRYNXZFCP-UHFFFAOYSA-N -1 0 319.325 -0.232 20 0 DBADRM COC(=O)[C@@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599680319 376325932 /nfs/dbraw/zinc/32/59/32/376325932.db2.gz KQRHESVNZKYQQY-SSDOTTSWSA-N -1 0 301.324 -0.256 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000599861176 376341896 /nfs/dbraw/zinc/34/18/96/376341896.db2.gz YREUWFQEGXIRGC-SECBINFHSA-N -1 0 315.326 -0.828 20 0 DBADRM COC(=O)[C@H](CF)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599941303 376349677 /nfs/dbraw/zinc/34/96/77/376349677.db2.gz GAVDSVMWTQNKRS-QMMMGPOBSA-N -1 0 319.314 -0.306 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)S[C@H](C)C(=O)[O-])CCO1 ZINC000601997112 376402810 /nfs/dbraw/zinc/40/28/10/376402810.db2.gz JTUGMUJUQFOZHS-FXPVBKGRSA-N -1 0 318.395 -0.055 20 0 DBADRM COC(=O)COCC(=O)N=c1nc(C(C)(C)OC)[n-]s1 ZINC000601794871 376391829 /nfs/dbraw/zinc/39/18/29/376391829.db2.gz ICUZEJVFRCYWKK-UHFFFAOYSA-N -1 0 303.340 -0.030 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)NCCCCC(=O)[O-])CC1 ZINC000070200036 376556629 /nfs/dbraw/zinc/55/66/29/376556629.db2.gz DXUIKLQABUYRHT-UHFFFAOYSA-N -1 0 322.383 -0.039 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)CCOC1 ZINC000603290463 376537396 /nfs/dbraw/zinc/53/73/96/376537396.db2.gz BFRUNUYSIFUHLL-BTQIBKBOSA-N -1 0 305.352 -0.442 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)[C@H]2CCOC[C@@H]2C)CCOC1 ZINC000603293986 376540368 /nfs/dbraw/zinc/54/03/68/376540368.db2.gz NURHHGXQZKOXDM-NHCYSSNCSA-N -1 0 307.368 -0.337 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000068688452 376547111 /nfs/dbraw/zinc/54/71/11/376547111.db2.gz QORQGTKJSZCKOC-WDEREUQCSA-N -1 0 300.355 -0.046 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000313603146 376640614 /nfs/dbraw/zinc/64/06/14/376640614.db2.gz BNFPTWHWHRETFG-ZYHUDNBSSA-N -1 0 307.368 -0.082 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000314711005 376647951 /nfs/dbraw/zinc/64/79/51/376647951.db2.gz MAASTMDJYFQMJF-LBPRGKRZSA-N -1 0 317.367 -0.160 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CCO1 ZINC000261993775 376764441 /nfs/dbraw/zinc/76/44/41/376764441.db2.gz UCMSWSWBAMJZTL-RYUDHWBXSA-N -1 0 310.350 -0.053 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)NC)n(C)c1 ZINC000038016923 376735885 /nfs/dbraw/zinc/73/58/85/376735885.db2.gz UADAWAXPMMGBPD-UHFFFAOYSA-N -1 0 303.340 -0.520 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000262163456 376779814 /nfs/dbraw/zinc/77/98/14/376779814.db2.gz TWUSGJKDUFQVTR-JTQLQIEISA-N -1 0 322.383 -0.594 20 0 DBADRM COC[C@](C)(O)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000531496675 376782883 /nfs/dbraw/zinc/78/28/83/376782883.db2.gz GOYWSWGWZSDVDV-QMMMGPOBSA-N -1 0 310.357 -0.755 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000262195088 376785102 /nfs/dbraw/zinc/78/51/02/376785102.db2.gz QJBMXXJWLKGIRZ-NSHDSACASA-N -1 0 324.399 -0.444 20 0 DBADRM CN(CCOCCO)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000337451178 376833209 /nfs/dbraw/zinc/83/32/09/376833209.db2.gz NSGPUHMYZUEAQV-UHFFFAOYSA-N -1 0 313.379 -0.051 20 0 DBADRM CC(C)C[C@H](CNC(=O)NCCNS(C)(=O)=O)C(=O)[O-] ZINC000094705178 376859449 /nfs/dbraw/zinc/85/94/49/376859449.db2.gz XNJCMVWCXXYBFY-SECBINFHSA-N -1 0 309.388 -0.418 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)CCO1 ZINC000262430004 376922764 /nfs/dbraw/zinc/92/27/64/376922764.db2.gz RSAGGTGIFGZDRA-NSHDSACASA-N -1 0 303.278 -0.412 20 0 DBADRM C[C@@H](NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)[O-] ZINC000262465439 376938176 /nfs/dbraw/zinc/93/81/76/376938176.db2.gz XQSOOWLSOOBVJO-UOWDBTKRSA-N -1 0 305.290 -0.056 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC(C)(O)C2)c1 ZINC000338608076 376948994 /nfs/dbraw/zinc/94/89/94/376948994.db2.gz VJIASBFSRZCVKX-UHFFFAOYSA-N -1 0 314.363 -0.151 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)CC(=O)[O-] ZINC000262504014 376985293 /nfs/dbraw/zinc/98/52/93/376985293.db2.gz ZBDFJNGNYDDZFK-ZETCQYMHSA-N -1 0 319.339 -0.499 20 0 DBADRM O=C(NCCn1ncnn1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000338963760 377000849 /nfs/dbraw/zinc/00/08/49/377000849.db2.gz TZZPDOAIPFOEEA-UHFFFAOYSA-N -1 0 301.266 -0.554 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@]1(C(N)=O)CCOC1 ZINC000567402101 377120624 /nfs/dbraw/zinc/12/06/24/377120624.db2.gz IKWRZVONTGUEJD-LLVKDONJSA-N -1 0 318.307 -0.791 20 0 DBADRM COc1ccc(C[C@H](CO)CNC(=O)c2n[nH]c(=O)[n-]2)cc1O ZINC000531635323 377078705 /nfs/dbraw/zinc/07/87/05/377078705.db2.gz RAGHQPQSQLKWDE-VIFPVBQESA-N -1 0 322.321 -0.195 20 0 DBADRM O=C(NC[C@]1(O)CCOC1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000534428963 377095992 /nfs/dbraw/zinc/09/59/92/377095992.db2.gz OOJBFBAZMVNKSD-CQSZACIVSA-N -1 0 305.290 -0.089 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000262899789 377103297 /nfs/dbraw/zinc/10/32/97/377103297.db2.gz PTTRZJJNABOTAD-WCBMZHEXSA-N -1 0 300.336 -0.134 20 0 DBADRM COC[C@@](C)(NC(=O)CNC(=O)COc1ccccc1)C(=O)[O-] ZINC000263011191 377106703 /nfs/dbraw/zinc/10/67/03/377106703.db2.gz WPICXXPNHFJTQZ-OAHLLOKOSA-N -1 0 324.333 -0.213 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)COCC(=O)NCc1cccnc1 ZINC000262933126 377107204 /nfs/dbraw/zinc/10/72/04/377107204.db2.gz YACDYLDGHKGGHF-JTQLQIEISA-N -1 0 309.322 -0.354 20 0 DBADRM CN(CC(=O)NC1(C(=O)[O-])CC1)S(=O)(=O)c1cccnc1 ZINC000262938474 377107396 /nfs/dbraw/zinc/10/73/96/377107396.db2.gz KXWAYLPANAMCII-UHFFFAOYSA-N -1 0 313.335 -0.565 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC1(C(=O)[O-])CC1 ZINC000263178807 377149251 /nfs/dbraw/zinc/14/92/51/377149251.db2.gz UUEJSFBMFAEUAR-UHFFFAOYSA-N -1 0 308.356 -0.936 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)CC2=O)cn1 ZINC000571283613 377166779 /nfs/dbraw/zinc/16/67/79/377166779.db2.gz VJRKEWZJVPLORQ-NWDGAFQWSA-N -1 0 320.349 -0.048 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)NCCSCC(=O)[O-] ZINC000389448461 377213400 /nfs/dbraw/zinc/21/34/00/377213400.db2.gz QBLUNQDLABIPEE-QMMMGPOBSA-N -1 0 310.397 -0.656 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000571445377 377224576 /nfs/dbraw/zinc/22/45/76/377224576.db2.gz LKLCZJVHRGMLPC-SNVBAGLBSA-N -1 0 311.338 -0.763 20 0 DBADRM CCCC[C@@H](NC(=O)CN1CCN(CC)C(=O)C1=O)C(=O)[O-] ZINC000262234666 377267858 /nfs/dbraw/zinc/26/78/58/377267858.db2.gz AFZHIEAETHIYNE-SNVBAGLBSA-N -1 0 313.354 -0.563 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1cnn(C)c1C)C(=O)[O-] ZINC000291842219 377227216 /nfs/dbraw/zinc/22/72/16/377227216.db2.gz HLSGKVOSHDDHLR-ZETCQYMHSA-N -1 0 305.312 -0.977 20 0 DBADRM COC[C@@](C)(NC(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)[O-] ZINC000262219774 377268250 /nfs/dbraw/zinc/26/82/50/377268250.db2.gz TUQNPYJCMUHNQZ-CQSZACIVSA-N -1 0 307.306 -0.065 20 0 DBADRM CCN(CCC(=O)[O-])S(=O)(=O)c1cc(C(=O)NC)n(C)c1 ZINC000038023560 182968732 /nfs/dbraw/zinc/96/87/32/182968732.db2.gz MJDUHEODYKVTQT-UHFFFAOYSA-N -1 0 317.367 -0.130 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CCOC)C(=O)[O-] ZINC000262264694 377270265 /nfs/dbraw/zinc/27/02/65/377270265.db2.gz FPCVQVHRIFJRTP-DTWKUNHWSA-N -1 0 304.368 -0.096 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)Cn2cnnn2)nc1C1CC1 ZINC000571564821 377254624 /nfs/dbraw/zinc/25/46/24/377254624.db2.gz JIJKRUVIJRWCNZ-UHFFFAOYSA-N -1 0 302.294 -0.040 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CCOC1 ZINC000262251204 377269689 /nfs/dbraw/zinc/26/96/89/377269689.db2.gz XTBKYBAJIURASL-MEBBXXQBSA-N -1 0 322.317 -0.012 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000261714421 377259891 /nfs/dbraw/zinc/25/98/91/377259891.db2.gz PYXWZCHSCCKBLK-DTWKUNHWSA-N -1 0 303.340 -0.062 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000261712591 377259995 /nfs/dbraw/zinc/25/99/95/377259995.db2.gz PXXZZQGIXSJLPM-VIFPVBQESA-N -1 0 303.340 -0.060 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000261653619 377260014 /nfs/dbraw/zinc/26/00/14/377260014.db2.gz HYSKQHCAJBWUTO-MRVPVSSYSA-N -1 0 319.339 -0.026 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000261823168 377261129 /nfs/dbraw/zinc/26/11/29/377261129.db2.gz OGSGEONVBMZXTG-UHFFFAOYSA-N -1 0 312.303 -0.383 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000261754188 377262234 /nfs/dbraw/zinc/26/22/34/377262234.db2.gz HNHGQTCZGHXDJE-UHFFFAOYSA-N -1 0 303.340 -0.060 20 0 DBADRM Cn1c2ccccc2n(CC(=O)N[C@]2(C(=O)[O-])CCOC2)c1=O ZINC000262073186 377265073 /nfs/dbraw/zinc/26/50/73/377265073.db2.gz COWOYDSWDGFVTC-OAHLLOKOSA-N -1 0 319.317 -0.300 20 0 DBADRM O=C(Cn1c(=O)[nH]c2ccccc21)N[C@]1(C(=O)[O-])CCOC1 ZINC000262070782 377266006 /nfs/dbraw/zinc/26/60/06/377266006.db2.gz CIABGOZXEVXWRR-CQSZACIVSA-N -1 0 305.290 -0.311 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])C2CC2)o1 ZINC000262184517 377266642 /nfs/dbraw/zinc/26/66/42/377266642.db2.gz SQHFZFLOMCOVEX-VIFPVBQESA-N -1 0 302.308 -0.219 20 0 DBADRM Cn1ncc(C(F)(F)F)c1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000628355630 377340195 /nfs/dbraw/zinc/34/01/95/377340195.db2.gz FLWUIZAZKSQEKQ-UHFFFAOYSA-N -1 0 318.215 -0.035 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)Cc1ccon1 ZINC000262434551 377276747 /nfs/dbraw/zinc/27/67/47/377276747.db2.gz OXHGWFRFLQNTRJ-MRVPVSSYSA-N -1 0 319.339 -0.584 20 0 DBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000262719373 377278181 /nfs/dbraw/zinc/27/81/81/377278181.db2.gz UNGHUFWJRIDCQV-ZETCQYMHSA-N -1 0 319.339 -0.858 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H]2C(=O)[O-])C1=O ZINC000262703994 377279549 /nfs/dbraw/zinc/27/95/49/377279549.db2.gz LWKCLJHZCJGMHD-XPTSAGLGSA-N -1 0 309.322 -0.218 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCC1(C(=O)[O-])CC1 ZINC000263482378 377279719 /nfs/dbraw/zinc/27/97/19/377279719.db2.gz UUFLYTZZVGYXFA-QMMMGPOBSA-N -1 0 306.384 -0.069 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cn(C)nn2)cn1 ZINC000618801395 377337893 /nfs/dbraw/zinc/33/78/93/377337893.db2.gz HSCGIZFSGWMISK-UHFFFAOYSA-N -1 0 324.366 -0.610 20 0 DBADRM CO[C@H](CNC(=O)c1cnc2scc(C)n2c1=O)C(=O)[O-] ZINC000262843645 377281339 /nfs/dbraw/zinc/28/13/39/377281339.db2.gz DQJOLUDBCXFEJJ-MRVPVSSYSA-N -1 0 311.319 -0.106 20 0 DBADRM CO[C@@H](CNC(=O)c1cnc2scc(C)n2c1=O)C(=O)[O-] ZINC000262843653 377281504 /nfs/dbraw/zinc/28/15/04/377281504.db2.gz DQJOLUDBCXFEJJ-QMMMGPOBSA-N -1 0 311.319 -0.106 20 0 DBADRM O=C([O-])COCCNC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000263490771 377281991 /nfs/dbraw/zinc/28/19/91/377281991.db2.gz WSQSRWMLUZXDQY-UHFFFAOYSA-N -1 0 305.294 -0.443 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000262943618 377282024 /nfs/dbraw/zinc/28/20/24/377282024.db2.gz QBZWBNRHNMHMMP-AWEZNQCLSA-N -1 0 311.338 -0.066 20 0 DBADRM Cn1cnn(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1=O ZINC000263394087 377283005 /nfs/dbraw/zinc/28/30/05/377283005.db2.gz FBXURVBUDZACAM-DCAQKATOSA-N -1 0 308.338 -0.174 20 0 DBADRM CO[C@@H](CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000263165729 377283298 /nfs/dbraw/zinc/28/32/98/377283298.db2.gz ZPNVUWBGDJKRJL-JTQLQIEISA-N -1 0 306.274 -0.258 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000263108394 377283737 /nfs/dbraw/zinc/28/37/37/377283737.db2.gz JLDSNROGSYROTL-SNVBAGLBSA-N -1 0 315.370 -0.366 20 0 DBADRM O=C([O-])COCCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000263396142 377283986 /nfs/dbraw/zinc/28/39/86/377283986.db2.gz DNZRVONMLUUZBN-JTQLQIEISA-N -1 0 310.306 -0.155 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000263108393 377284091 /nfs/dbraw/zinc/28/40/91/377284091.db2.gz JLDSNROGSYROTL-JTQLQIEISA-N -1 0 315.370 -0.366 20 0 DBADRM COC[C@H](NC(=O)CN1C(=O)c2ccc(C)cc2C1=O)C(=O)[O-] ZINC000263497595 377284170 /nfs/dbraw/zinc/28/41/70/377284170.db2.gz YFOABKILUMLJTB-NSHDSACASA-N -1 0 320.301 -0.193 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)NCCC(=O)NC(N)=O)c1 ZINC000268807115 377375444 /nfs/dbraw/zinc/37/54/44/377375444.db2.gz SEARKMJGMNJTHJ-UHFFFAOYSA-N -1 0 317.371 -0.598 20 0 DBADRM Nn1c(SCc2nnn[n-]2)nnc1-c1n[nH]c2c1CCC2 ZINC000268999358 377378349 /nfs/dbraw/zinc/37/83/49/377378349.db2.gz AERPPMYWIYAMSO-UHFFFAOYSA-N -1 0 304.343 -0.324 20 0 DBADRM CCC[C@@](C)(NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000268958482 377379278 /nfs/dbraw/zinc/37/92/78/377379278.db2.gz WJFVYBPAGNPYOX-LQYUOIDQSA-N -1 0 323.349 -0.143 20 0 DBADRM Cc1cc(=O)[nH]c([C@@H](C)N2CCN(S(N)(=O)=O)CC2)n1 ZINC000268414413 377353975 /nfs/dbraw/zinc/35/39/75/377353975.db2.gz PFDHZHRUHBKQGP-SECBINFHSA-N -1 0 301.372 -0.627 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cnn(CCOC)c1 ZINC000270504577 377451416 /nfs/dbraw/zinc/45/14/16/377451416.db2.gz OBRZPALGOBQEDG-UHFFFAOYSA-N -1 0 321.355 -0.749 20 0 DBADRM COC[C@H](O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000269596250 377409747 /nfs/dbraw/zinc/40/97/47/377409747.db2.gz ZKDFOGAJTRHFDQ-SSDOTTSWSA-N -1 0 308.294 -0.518 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000262580772 304204718 /nfs/dbraw/zinc/20/47/18/304204718.db2.gz FPCCTHNUHNWZGM-MNOVXSKESA-N -1 0 312.347 -0.198 20 0 DBADRM C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000270538740 377454330 /nfs/dbraw/zinc/45/43/30/377454330.db2.gz WVLNXAWGJHXUEE-IUCAKERBSA-N -1 0 303.340 -0.014 20 0 DBADRM C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000270538739 377455202 /nfs/dbraw/zinc/45/52/02/377455202.db2.gz WVLNXAWGJHXUEE-DTWKUNHWSA-N -1 0 303.340 -0.014 20 0 DBADRM O=S(=O)(c1nc2ccccc2[n-]1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000271093170 377482066 /nfs/dbraw/zinc/48/20/66/377482066.db2.gz UXGNXCUDKRFEIY-UWVGGRQHSA-N -1 0 316.360 -0.506 20 0 DBADRM CN(C[C@H](O)CO)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000271272170 377489950 /nfs/dbraw/zinc/48/99/50/377489950.db2.gz MBEASGBQSYWWBJ-VIFPVBQESA-N -1 0 323.374 -0.353 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)[N-]OCc1ccccc1 ZINC000271391439 377495304 /nfs/dbraw/zinc/49/53/04/377495304.db2.gz REOFRNHZOCWDTO-OLZOCXBDSA-N -1 0 308.334 -0.157 20 0 DBADRM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)[N-]OCC(N)=O ZINC000271449860 377496608 /nfs/dbraw/zinc/49/66/08/377496608.db2.gz VHQNYGGAYDJMQF-QMMMGPOBSA-N -1 0 303.384 -0.143 20 0 DBADRM CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)[N-]OCC(N)=O ZINC000271473526 377500029 /nfs/dbraw/zinc/50/00/29/377500029.db2.gz ZGLWSWOOQXWSBA-AWEZNQCLSA-N -1 0 307.350 -0.097 20 0 DBADRM COc1ncnc(OC)c1C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000274764679 377530169 /nfs/dbraw/zinc/53/01/69/377530169.db2.gz KFIALKYLQHOMKT-ZETCQYMHSA-N -1 0 307.314 -0.117 20 0 DBADRM COC(=O)[C@H]1CCCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000275130283 377532518 /nfs/dbraw/zinc/53/25/18/377532518.db2.gz NQFLLIWDVUHEFH-SSDOTTSWSA-N -1 0 300.340 -0.256 20 0 DBADRM COc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)ccc1F ZINC000276207274 377554049 /nfs/dbraw/zinc/55/40/49/377554049.db2.gz KEXMUEPMRZSACO-QUBYGPBYSA-N -1 0 307.299 -0.053 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(Cl)n1 ZINC000277824390 377608926 /nfs/dbraw/zinc/60/89/26/377608926.db2.gz YZUJGIWQQRKRNC-UHFFFAOYSA-N -1 0 305.743 -0.069 20 0 DBADRM COC(=O)[C@@H](CO)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000279061964 377641279 /nfs/dbraw/zinc/64/12/79/377641279.db2.gz SDJOFWAPZZQXDR-RQJHMYQMSA-N -1 0 314.260 -0.660 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000279523940 377658436 /nfs/dbraw/zinc/65/84/36/377658436.db2.gz TUHSTLTXPVATHL-UHFFFAOYSA-N -1 0 317.279 -0.737 20 0 DBADRM COC[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C1CCOCC1 ZINC000617369554 377696329 /nfs/dbraw/zinc/69/63/29/377696329.db2.gz OQURWJKQTPBCBJ-NSHDSACASA-N -1 0 311.338 -0.343 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000279911294 377672054 /nfs/dbraw/zinc/67/20/54/377672054.db2.gz DJLQLDNSJQOKKR-MRVPVSSYSA-N -1 0 322.364 -0.373 20 0 DBADRM O=C(CCNC(=O)c1ccc(F)cc1)NCCc1nc(=O)o[n-]1 ZINC000280106677 377676659 /nfs/dbraw/zinc/67/66/59/377676659.db2.gz MZYZIWFWSSZXAV-UHFFFAOYSA-N -1 0 322.296 -0.019 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000280066260 377676735 /nfs/dbraw/zinc/67/67/35/377676735.db2.gz JCLVFWPQMRDXIJ-SNVBAGLBSA-N -1 0 303.274 -0.197 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000280215683 377681383 /nfs/dbraw/zinc/68/13/83/377681383.db2.gz WJOJGYRUXKVXAR-LURJTMIESA-N -1 0 322.243 -0.568 20 0 DBADRM C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nc(=O)o[n-]1 ZINC000280235859 377681553 /nfs/dbraw/zinc/68/15/53/377681553.db2.gz XZWUGWFDMOFFHO-ZETCQYMHSA-N -1 0 300.315 -0.065 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000280209178 377682415 /nfs/dbraw/zinc/68/24/15/377682415.db2.gz VWRMVTOZAPCAOM-VIFPVBQESA-N -1 0 320.305 -0.337 20 0 DBADRM COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)c1cnnn1C ZINC000281197365 377721906 /nfs/dbraw/zinc/72/19/06/377721906.db2.gz BQAGMOPZQXWQIJ-UHFFFAOYSA-N -1 0 307.266 -0.031 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000282389775 377776729 /nfs/dbraw/zinc/77/67/29/377776729.db2.gz ZIJSBOQLJCBZEK-UHFFFAOYSA-N -1 0 308.356 -0.842 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCCn1cccc1 ZINC000282044853 377761097 /nfs/dbraw/zinc/76/10/97/377761097.db2.gz LJJXGRUSNNUJID-UHFFFAOYSA-N -1 0 301.368 -0.150 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000282360242 377775134 /nfs/dbraw/zinc/77/51/34/377775134.db2.gz XHSAWRZGNHXZJZ-NSHDSACASA-N -1 0 312.347 -0.428 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)S(=O)(=O)c1ncc[n-]1 ZINC000283232107 377818182 /nfs/dbraw/zinc/81/81/82/377818182.db2.gz CGLMRQBWABIZML-DTWKUNHWSA-N -1 0 314.367 -0.704 20 0 DBADRM O=c1nc(CCNS(=O)(=O)c2cnn(CC(F)F)c2)[n-]o1 ZINC000290149871 377898029 /nfs/dbraw/zinc/89/80/29/377898029.db2.gz NKMCVLZKERNTDX-UHFFFAOYSA-N -1 0 323.281 -0.655 20 0 DBADRM CC(C)[C@H](NC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000263574724 377924253 /nfs/dbraw/zinc/92/42/53/377924253.db2.gz NWIOHWLBKNRXJE-VIFPVBQESA-N -1 0 301.324 -0.432 20 0 DBADRM COC(=O)[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)OC ZINC000291819682 377936340 /nfs/dbraw/zinc/93/63/40/377936340.db2.gz CIOKXPQKJAHSPY-VIFPVBQESA-N -1 0 320.323 -0.810 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)c1cnn(C)c1C)C(=O)[O-] ZINC000291870022 377938753 /nfs/dbraw/zinc/93/87/53/377938753.db2.gz LHJVMNHYWFFVCP-VIFPVBQESA-N -1 0 303.340 -0.171 20 0 DBADRM COC(=O)[C@H](CNS(=O)(=O)c1csc(C(=O)[O-])c1)OC ZINC000291958003 377939247 /nfs/dbraw/zinc/93/92/47/377939247.db2.gz RDQXUPZJPXPOFF-ZETCQYMHSA-N -1 0 323.348 -0.087 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)Nc2n[nH]c(SCCO)n2)O1 ZINC000290547646 377907139 /nfs/dbraw/zinc/90/71/39/377907139.db2.gz PTNJQFASXDPBJM-NKWVEPMBSA-N -1 0 316.339 -0.452 20 0 DBADRM COC(=O)[C@H](CF)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000292617314 377954964 /nfs/dbraw/zinc/95/49/64/377954964.db2.gz OEYINAGHMANNTH-ZETCQYMHSA-N -1 0 324.268 -0.015 20 0 DBADRM Cn1cnc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)c1 ZINC000340513475 378013329 /nfs/dbraw/zinc/01/33/29/378013329.db2.gz YFWLUUIIPAAJNF-UHFFFAOYSA-N -1 0 302.341 -0.105 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1=O ZINC000292721388 377958212 /nfs/dbraw/zinc/95/82/12/377958212.db2.gz DBQYQJKMMPEHNH-ZDUSSCGKSA-N -1 0 318.293 -0.384 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(=O)[O-] ZINC000340450499 377983139 /nfs/dbraw/zinc/98/31/39/377983139.db2.gz JVSIODAFCAEOFB-ZETCQYMHSA-N -1 0 319.360 -0.232 20 0 DBADRM CC(C)C[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000340528219 378018426 /nfs/dbraw/zinc/01/84/26/378018426.db2.gz VVLXXTOXRWOJBE-VIFPVBQESA-N -1 0 315.413 -0.160 20 0 DBADRM CC(C)C[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000340528217 378018527 /nfs/dbraw/zinc/01/85/27/378018527.db2.gz VVLXXTOXRWOJBE-SECBINFHSA-N -1 0 315.413 -0.160 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)CCOCc1ccccc1 ZINC000295227382 378004847 /nfs/dbraw/zinc/00/48/47/378004847.db2.gz WKMASWRUBOZYRD-LBPRGKRZSA-N -1 0 317.363 -0.344 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)[N-][C@@]1(C(=O)OC)CCOC1 ZINC000340873949 378072652 /nfs/dbraw/zinc/07/26/52/378072652.db2.gz CPZMYQAXUMRHEM-KCJUWKMLSA-N -1 0 309.340 -0.953 20 0 DBADRM COC(=O)[C@@H](CC(F)F)NC(=O)c1cnc([O-])n(C)c1=O ZINC000342524096 378101130 /nfs/dbraw/zinc/10/11/30/378101130.db2.gz SLCSKDIVSQULPI-ZCFIWIBFSA-N -1 0 305.237 -0.588 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CCC[C@H]1C(=O)[O-])c2=O ZINC000342556444 378102707 /nfs/dbraw/zinc/10/27/07/378102707.db2.gz DCSQSYXQSWWGRV-VIFPVBQESA-N -1 0 305.294 -0.794 20 0 DBADRM O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1nc(=O)[nH][n-]1 ZINC000112402822 378164057 /nfs/dbraw/zinc/16/40/57/378164057.db2.gz FJHPRPKVHFVVAQ-QMMMGPOBSA-N -1 0 305.269 -0.228 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)Cn2cnc3sccc3c2=O)CCOC1 ZINC000262319779 378324730 /nfs/dbraw/zinc/32/47/30/378324730.db2.gz QWSWHCOJNYCNSX-CYBMUJFWSA-N -1 0 323.330 -0.182 20 0 DBADRM C[C@@](O)(CNC(=O)CCn1c(=O)oc2ccccc21)C(=O)[O-] ZINC000349051067 378405260 /nfs/dbraw/zinc/40/52/60/378405260.db2.gz UUGLLNBZRTUXPH-CQSZACIVSA-N -1 0 308.290 -0.064 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000399106396 378408377 /nfs/dbraw/zinc/40/83/77/378408377.db2.gz WBNZHXJMBKUWHG-NXEZZACHSA-N -1 0 309.322 -0.884 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)N(CCC#N)CCOC ZINC000519408916 378441942 /nfs/dbraw/zinc/44/19/42/378441942.db2.gz NTJZGIMIBUCLBD-SNVBAGLBSA-N -1 0 307.372 -0.112 20 0 DBADRM COC1CCN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)CC1 ZINC000530147659 378443274 /nfs/dbraw/zinc/44/32/74/378443274.db2.gz GSXSZJURRPNYAH-UHFFFAOYSA-N -1 0 303.340 -0.082 20 0 DBADRM C[C@@H]1OCCN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)[C@H]1C ZINC000530154310 378443630 /nfs/dbraw/zinc/44/36/30/378443630.db2.gz LKNCYLUOTCMXNH-YUMQZZPRSA-N -1 0 303.340 -0.084 20 0 DBADRM O=C(CN1CSCC1=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000535846659 378430245 /nfs/dbraw/zinc/43/02/45/378430245.db2.gz JKYLONHVICNDQS-UHFFFAOYSA-N -1 0 311.367 -0.251 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2Cc3cnn(C)c3C2)cn1 ZINC000623249635 378433720 /nfs/dbraw/zinc/43/37/20/378433720.db2.gz TVNXGYIMFOKWSB-UHFFFAOYSA-N -1 0 321.362 -0.121 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN(c2ncccn2)CC1 ZINC000330119834 378524156 /nfs/dbraw/zinc/52/41/56/378524156.db2.gz INJDSAOZXFNIKN-UHFFFAOYSA-N -1 0 321.366 -0.259 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN(c2cnccn2)CC1 ZINC000330145939 378524785 /nfs/dbraw/zinc/52/47/85/378524785.db2.gz HPNWQVTWDMMSRT-UHFFFAOYSA-N -1 0 321.366 -0.259 20 0 DBADRM CC[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H](C)[S@]1=O ZINC000329348730 378476765 /nfs/dbraw/zinc/47/67/65/378476765.db2.gz CWBWQSBLRYJSNC-URNOHEEXSA-N -1 0 313.379 -0.143 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)c3ccc4n[nH]nc4c3)C2)C1=O ZINC000329365212 378477879 /nfs/dbraw/zinc/47/78/79/378477879.db2.gz ICUGIFQBSHYJPK-AWEZNQCLSA-N -1 0 314.305 -0.071 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN(c2cccnn2)CC1 ZINC000329470673 378486821 /nfs/dbraw/zinc/48/68/21/378486821.db2.gz YZKRPPPAKUCLLO-UHFFFAOYSA-N -1 0 321.366 -0.259 20 0 DBADRM C[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@@H](C)S1(=O)=O ZINC000329659085 378499995 /nfs/dbraw/zinc/49/99/95/378499995.db2.gz NRMVZFAHRYKKIL-RNFRBKRXSA-N -1 0 320.396 -0.364 20 0 DBADRM O=C(NC[C@]1(OCCO)CCOC1)c1cc(F)cc2n[nH]nc21 ZINC000617707906 378556152 /nfs/dbraw/zinc/55/61/52/378556152.db2.gz VMGLNRMVXCOWCI-CQSZACIVSA-N -1 0 324.312 -0.005 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000043702922 378587225 /nfs/dbraw/zinc/58/72/25/378587225.db2.gz PAZQIEJVHWYOGH-BBBLOLIVSA-N -1 0 308.356 -0.874 20 0 DBADRM Cn1cnn(CC(=O)N=c2nc(-c3cccnc3)[n-]s2)c1=O ZINC000353374735 378657885 /nfs/dbraw/zinc/65/78/85/378657885.db2.gz YJZNPWDQEKXLMR-UHFFFAOYSA-N -1 0 317.334 -0.444 20 0 DBADRM CCCc1nc(=NC(=O)NCCS(=O)(=O)N(C)C)s[n-]1 ZINC000353510037 378667771 /nfs/dbraw/zinc/66/77/71/378667771.db2.gz BWVOBCNIQUVYSG-UHFFFAOYSA-N -1 0 321.428 -0.075 20 0 DBADRM COCc1n[n-]c(S(=O)(=O)CC(=O)N[C@H](C)C(C)C)n1 ZINC000353895903 378691051 /nfs/dbraw/zinc/69/10/51/378691051.db2.gz PESNZXHFOPKLAN-MRVPVSSYSA-N -1 0 304.372 -0.115 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)C[C@@H](O)CO ZINC000353964595 378696489 /nfs/dbraw/zinc/69/64/89/378696489.db2.gz YKJQDMKFQNMNAJ-SNVBAGLBSA-N -1 0 316.379 -0.127 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)NCc1n[nH]c(=O)[n-]1 ZINC000354046225 378700582 /nfs/dbraw/zinc/70/05/82/378700582.db2.gz YMBLJNXRUXFPAG-UHFFFAOYSA-N -1 0 305.294 -0.435 20 0 DBADRM CN1C[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C(=O)N1 ZINC000354482897 378733516 /nfs/dbraw/zinc/73/35/16/378733516.db2.gz ILJJGIGWELDAIP-SNVBAGLBSA-N -1 0 319.296 -0.208 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)NC(C)(C)c1nnn[n-]1)n1cccn1 ZINC000354783770 378765946 /nfs/dbraw/zinc/76/59/46/378765946.db2.gz FPRXLQYAEZQKEU-SECBINFHSA-N -1 0 320.357 -0.533 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](C(=O)N=c2nc(-c3cccnc3)[n-]s2)O1 ZINC000355317677 378805183 /nfs/dbraw/zinc/80/51/83/378805183.db2.gz RKADSWSVJVRWKI-IUCAKERBSA-N -1 0 319.346 -0.007 20 0 DBADRM COC(=O)Cn1ncc([N-]S(=O)(=O)c2cn(C)cn2)c1C ZINC000355876879 378841948 /nfs/dbraw/zinc/84/19/48/378841948.db2.gz BWMXKIFXQYNNSU-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM CO[C@@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000355958954 378845808 /nfs/dbraw/zinc/84/58/08/378845808.db2.gz PSSMRGCKVSZVDQ-VHSXEESVSA-N -1 0 316.383 -0.618 20 0 DBADRM CC(=O)c1cnccc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000356536718 378885273 /nfs/dbraw/zinc/88/52/73/378885273.db2.gz VPWCOTCBHNWCPB-UHFFFAOYSA-N -1 0 322.346 -0.056 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c1Cl ZINC000367255900 378924586 /nfs/dbraw/zinc/92/45/86/378924586.db2.gz YYEOOBBJHAQDAN-SECBINFHSA-N -1 0 309.731 -0.405 20 0 DBADRM Cc1c(C(=O)NC2(c3nnn[n-]3)CC2)cccc1S(N)(=O)=O ZINC000357038466 378914378 /nfs/dbraw/zinc/91/43/78/378914378.db2.gz ASBFZXBFZJQMMK-UHFFFAOYSA-N -1 0 322.350 -0.425 20 0 DBADRM O=C(Cn1cc(Br)cn1)NC1(c2nnn[n-]2)CC1 ZINC000357038615 378915498 /nfs/dbraw/zinc/91/54/98/378915498.db2.gz BFEIWTTWFGYFRK-UHFFFAOYSA-N -1 0 312.131 -0.036 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000358393824 379034125 /nfs/dbraw/zinc/03/41/25/379034125.db2.gz QOJRCGZEKGOEBD-QMMMGPOBSA-N -1 0 304.376 -0.957 20 0 DBADRM COCCN1C[C@@H](C(=O)N(C)C[C@H](C)c2nnn[n-]2)CC1=O ZINC000358384762 379035431 /nfs/dbraw/zinc/03/54/31/379035431.db2.gz TVLJKGYCJZAUSU-UWVGGRQHSA-N -1 0 310.358 -0.744 20 0 DBADRM C[C@H](CN(C)C(=O)CCS(=O)(=O)N(C)C)c1nnn[n-]1 ZINC000358397243 379037229 /nfs/dbraw/zinc/03/72/29/379037229.db2.gz WTXVNZKZULCSBU-MRVPVSSYSA-N -1 0 304.376 -0.957 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000358360598 379029772 /nfs/dbraw/zinc/02/97/72/379029772.db2.gz FVMFAMMDGYBLFA-MRVPVSSYSA-N -1 0 305.294 -0.232 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000358349721 379030208 /nfs/dbraw/zinc/03/02/08/379030208.db2.gz DARMGFIUAVNKRJ-UHFFFAOYSA-N -1 0 311.323 -0.652 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)Cc2cnn(C)c2)C1=O ZINC000358715385 379082216 /nfs/dbraw/zinc/08/22/16/379082216.db2.gz OCZWOBZYRAVTLC-AAEUAGOBSA-N -1 0 322.365 -0.211 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)Cn2cccn2)C1=O ZINC000358712474 379077939 /nfs/dbraw/zinc/07/79/39/379077939.db2.gz KYCAVDGRPMTCOK-CMPLNLGQSA-N -1 0 308.338 -0.291 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)Cn2cccn2)C1=O ZINC000358712493 379078709 /nfs/dbraw/zinc/07/87/09/379078709.db2.gz KYCAVDGRPMTCOK-ZYHUDNBSSA-N -1 0 308.338 -0.291 20 0 DBADRM COCCOCC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000358715373 379081434 /nfs/dbraw/zinc/08/14/34/379081434.db2.gz RMSNIYATIFMZHY-ZYHUDNBSSA-N -1 0 316.354 -0.524 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cnccn2)C1=O ZINC000358722700 379082025 /nfs/dbraw/zinc/08/20/25/379082025.db2.gz YFTMLMJZSPCILX-MWLCHTKSSA-N -1 0 306.322 -0.084 20 0 DBADRM CN(C)S(=O)(=O)[N-]c1ccccc1C(=O)NCCC(N)=O ZINC000359131690 379122688 /nfs/dbraw/zinc/12/26/88/379122688.db2.gz OBLSTNRSTVQHAL-UHFFFAOYSA-N -1 0 314.367 -0.490 20 0 DBADRM Cc1nn2c([n-]nc2SCC(=O)NC[C@@H]2CCCO2)nc1=O ZINC000359318282 379149132 /nfs/dbraw/zinc/14/91/32/379149132.db2.gz MFXMESUPNVFRGR-QMMMGPOBSA-N -1 0 324.366 -0.492 20 0 DBADRM Cn1cc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)nn1 ZINC000359475128 379168256 /nfs/dbraw/zinc/16/82/56/379168256.db2.gz UBPKGFLSAJOASI-UHFFFAOYSA-N -1 0 306.311 -0.408 20 0 DBADRM Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)nn1 ZINC000359477137 379168407 /nfs/dbraw/zinc/16/84/07/379168407.db2.gz WNMSRRJFILJRLO-UHFFFAOYSA-N -1 0 321.318 -0.158 20 0 DBADRM Cn1nc(C(=O)NCc2n[nH]c(=O)[n-]2)c(=O)c2ccccc21 ZINC000359815817 379201508 /nfs/dbraw/zinc/20/15/08/379201508.db2.gz JIEFIUXNVGIGDP-UHFFFAOYSA-N -1 0 300.278 -0.313 20 0 DBADRM CC(C)(NC(=O)CSc1nnnn1C1CC1)c1nnn[n-]1 ZINC000359787764 379197204 /nfs/dbraw/zinc/19/72/04/379197204.db2.gz MMXPPLZHMGUHKR-UHFFFAOYSA-N -1 0 309.359 -0.335 20 0 DBADRM CC(C)(NC(=O)Cc1ccc(-n2cnnn2)cc1)c1nnn[n-]1 ZINC000359802621 379200043 /nfs/dbraw/zinc/20/00/43/379200043.db2.gz ULBHVVHDKTWDRA-UHFFFAOYSA-N -1 0 313.325 -0.231 20 0 DBADRM O=S1(=O)[N-]C(CN2C[C@H](O)C[C@H]2CO)=Nc2ccccc21 ZINC000360486372 379269807 /nfs/dbraw/zinc/26/98/07/379269807.db2.gz FDKLGNSOGFYKKA-VHSXEESVSA-N -1 0 311.363 -0.564 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2nc(OC)n[nH]2)c[nH]1 ZINC000360926464 379316584 /nfs/dbraw/zinc/31/65/84/379316584.db2.gz RRKWMQQVIPTSNU-UHFFFAOYSA-N -1 0 301.284 -0.271 20 0 DBADRM COC(=O)[C@@H](CO)NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000362490387 379441088 /nfs/dbraw/zinc/44/10/88/379441088.db2.gz RIUBMRJRSWOZGJ-SNVBAGLBSA-N -1 0 305.290 -0.158 20 0 DBADRM Nc1c(C(=O)CSc2n[nH]c(=O)[n-]2)c(=O)[nH]c(=O)n1C1CC1 ZINC000361996220 379405435 /nfs/dbraw/zinc/40/54/35/379405435.db2.gz KYZYIYLGMUVQTE-UHFFFAOYSA-N -1 0 324.322 -0.335 20 0 DBADRM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NCC(=O)[O-] ZINC000362001425 379407507 /nfs/dbraw/zinc/40/75/07/379407507.db2.gz OJSXRZYGRWAWSC-UHFFFAOYSA-N -1 0 322.726 -0.433 20 0 DBADRM Cc1cnn(CC(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000362634135 379457228 /nfs/dbraw/zinc/45/72/28/379457228.db2.gz CWTQGPQUPWSJPV-UHFFFAOYSA-N -1 0 322.365 -0.027 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000367889870 379522573 /nfs/dbraw/zinc/52/25/73/379522573.db2.gz PUKVSGISTDMDHV-QMMMGPOBSA-N -1 0 309.340 -0.699 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000626465215 379603847 /nfs/dbraw/zinc/60/38/47/379603847.db2.gz VXOMMYACTYOLSU-UHFFFAOYSA-N -1 0 316.321 -0.398 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)C[C@@H](C)O1 ZINC000582355423 379636702 /nfs/dbraw/zinc/63/67/02/379636702.db2.gz KDKCRADPYRAEGI-FOGDFJRCSA-N -1 0 322.383 -0.436 20 0 DBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)NCc2nnc3n2CCCC3)C1 ZINC000582278785 379607624 /nfs/dbraw/zinc/60/76/24/379607624.db2.gz IOEBGMOATKZNHU-NXEZZACHSA-N -1 0 323.353 -0.002 20 0 DBADRM CC1(C)CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCS1 ZINC000643460272 379701470 /nfs/dbraw/zinc/70/14/70/379701470.db2.gz IKXQKFFZZLVHLZ-SECBINFHSA-N -1 0 316.379 -0.348 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC[C@H](c3ccco3)C2)CCO1 ZINC000643459163 379698193 /nfs/dbraw/zinc/69/81/93/379698193.db2.gz OGXDSTGXZBGGET-JQWIXIFHSA-N -1 0 322.317 -0.093 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000176760977 379723141 /nfs/dbraw/zinc/72/31/41/379723141.db2.gz XJXLWWWONDIJPN-UHFFFAOYSA-N -1 0 318.399 -0.248 20 0 DBADRM O=C(NC1CCC(CO)CC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000181037666 379746800 /nfs/dbraw/zinc/74/68/00/379746800.db2.gz JXKDAFACRIOXJS-UHFFFAOYSA-N -1 0 318.333 -0.108 20 0 DBADRM C[C@H]1CCSCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643460264 379702116 /nfs/dbraw/zinc/70/21/16/379702116.db2.gz GYRFDMRFBMVEBE-VHSXEESVSA-N -1 0 316.379 -0.348 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000643461096 379709120 /nfs/dbraw/zinc/70/91/20/379709120.db2.gz QSHFLJLENNDUMN-NHYWBVRUSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@H]([N-]S(=O)(=O)CCCCS(N)(=O)=O)C(F)(F)F ZINC000349604642 379803586 /nfs/dbraw/zinc/80/35/86/379803586.db2.gz UACWYUQUBYKIHO-LURJTMIESA-N -1 0 312.335 -0.075 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCO1 ZINC000643461832 379762346 /nfs/dbraw/zinc/76/23/46/379762346.db2.gz SWKYXCBTRNWVFZ-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)C1=O ZINC000230952808 379776129 /nfs/dbraw/zinc/77/61/29/379776129.db2.gz UHJYPCYKBBYJMB-ZETCQYMHSA-N -1 0 304.349 -0.045 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000584716234 379839925 /nfs/dbraw/zinc/83/99/25/379839925.db2.gz HLBWPJGYSSHSES-KYZUINATSA-N -1 0 323.334 -0.196 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NC[C@H](O)C(=O)[O-])CCCCC1 ZINC000584756582 379840876 /nfs/dbraw/zinc/84/08/76/379840876.db2.gz IYGIDAIMDAZCBR-VIFPVBQESA-N -1 0 323.367 -0.525 20 0 DBADRM COCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000584758239 379842338 /nfs/dbraw/zinc/84/23/38/379842338.db2.gz QNQRNAVHBJYEMN-CMPLNLGQSA-N -1 0 307.368 -0.224 20 0 DBADRM COCc1ccc(OC)c(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000584784818 379843786 /nfs/dbraw/zinc/84/37/86/379843786.db2.gz VAHAGGSIZROJKP-VIFPVBQESA-N -1 0 319.335 -0.435 20 0 DBADRM CN(C(=O)N1CSC[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000040591307 379861792 /nfs/dbraw/zinc/86/17/92/379861792.db2.gz PCZPJFFJSFJEOI-HTQZYQBOSA-N -1 0 308.381 -0.315 20 0 DBADRM COC[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643466455 379820993 /nfs/dbraw/zinc/82/09/93/379820993.db2.gz MEMPWBRDGNIXSF-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCO1 ZINC000643466679 379821534 /nfs/dbraw/zinc/82/15/34/379821534.db2.gz FMDWHYJZYKGDRL-GRYCIOLGSA-N -1 0 310.350 -0.053 20 0 DBADRM CCOC(=O)C[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000136430070 379920076 /nfs/dbraw/zinc/92/00/76/379920076.db2.gz WSOXQMDGUIZRIQ-UHFFFAOYSA-N -1 0 308.337 -0.229 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)Cn1nc2ccccn2c1=O ZINC000261668952 379920332 /nfs/dbraw/zinc/92/03/32/379920332.db2.gz HAQPPJLYTXGUEC-JTQLQIEISA-N -1 0 320.305 -0.802 20 0 DBADRM CO[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCO1 ZINC000626601015 380057073 /nfs/dbraw/zinc/05/70/73/380057073.db2.gz DVHITQRGOOZGDX-NSHDSACASA-N -1 0 315.351 -0.102 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@H]1OC ZINC000420564666 380064671 /nfs/dbraw/zinc/06/46/71/380064671.db2.gz RTASWXJIROSKCR-UKKRHICBSA-N -1 0 316.354 -0.526 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)[C@@H]1OC ZINC000420566882 380064727 /nfs/dbraw/zinc/06/47/27/380064727.db2.gz URKMTRXIHDYBON-YTWAJWBKSA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1=O ZINC000420569738 380064757 /nfs/dbraw/zinc/06/47/57/380064757.db2.gz WFZCCKQAQOPVOB-ZNSHCXBVSA-N -1 0 323.349 -0.955 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])[C@@H]1OC ZINC000420569977 380065230 /nfs/dbraw/zinc/06/52/30/380065230.db2.gz YMFBYZDXEUSGSL-KKZNHRDASA-N -1 0 302.327 -0.724 20 0 DBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)NCCCC(=O)[O-] ZINC000420570259 380065342 /nfs/dbraw/zinc/06/53/42/380065342.db2.gz NPIUCUURHWECHI-VIFPVBQESA-N -1 0 302.327 -0.329 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)NCCCC(=O)[O-])CC1=O ZINC000420563539 380065432 /nfs/dbraw/zinc/06/54/32/380065432.db2.gz ORQFMSBRWXHYJA-BBBLOLIVSA-N -1 0 311.338 -0.907 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)[C@H]1OC ZINC000420566879 380065519 /nfs/dbraw/zinc/06/55/19/380065519.db2.gz URKMTRXIHDYBON-UKKRHICBSA-N -1 0 314.338 -0.772 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1=O ZINC000420543238 380066202 /nfs/dbraw/zinc/06/62/02/380066202.db2.gz DGXRPEVOCILHBT-LLVKDONJSA-N -1 0 319.317 -0.652 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCCCCC(=O)[O-])CC(=O)N1C ZINC000420579627 380066645 /nfs/dbraw/zinc/06/66/45/380066645.db2.gz RTMJJNQKARICAB-SNVBAGLBSA-N -1 0 313.354 -0.563 20 0 DBADRM CCOC(=O)[C@H]1CCCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC000420585284 380066898 /nfs/dbraw/zinc/06/68/98/380066898.db2.gz BBITWRGMURTXNV-VIFPVBQESA-N -1 0 300.311 -0.621 20 0 DBADRM CC(C)N1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1=O ZINC000420550947 380066930 /nfs/dbraw/zinc/06/69/30/380066930.db2.gz RBPZQTLLIULDHX-NXEZZACHSA-N -1 0 311.338 -0.955 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NCCOC(F)(F)F)C(=O)[O-] ZINC000420549605 380067166 /nfs/dbraw/zinc/06/71/66/380067166.db2.gz DPCBMCXOCYPHQV-LURJTMIESA-N -1 0 300.233 -0.182 20 0 DBADRM CC(C)OC(=O)CC[C@H](C)NC(=O)C(=O)NCCC(=O)[O-] ZINC000420584823 380067224 /nfs/dbraw/zinc/06/72/24/380067224.db2.gz OXYHOROCUZWXIE-VIFPVBQESA-N -1 0 302.327 -0.186 20 0 DBADRM CC(C)CN1CCN(C(=O)C(=O)NCCC(=O)[O-])[C@H](C)C1=O ZINC000420604567 380069254 /nfs/dbraw/zinc/06/92/54/380069254.db2.gz YMUBWWVYPJZDQF-SNVBAGLBSA-N -1 0 313.354 -0.707 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000420572943 380070283 /nfs/dbraw/zinc/07/02/83/380070283.db2.gz YVNPEXYZHRZOEK-ZJUUUORDSA-N -1 0 311.338 -0.811 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000420572123 380070801 /nfs/dbraw/zinc/07/08/01/380070801.db2.gz YASOJWBIWKQYKC-VIFPVBQESA-N -1 0 311.338 -0.811 20 0 DBADRM CC(C)OC(=O)CCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000420574612 380070935 /nfs/dbraw/zinc/07/09/35/380070935.db2.gz UJXUARASDYQFTC-SNVBAGLBSA-N -1 0 314.338 -0.233 20 0 DBADRM CO[C@H](CC(C)C)CS(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000420719750 380072363 /nfs/dbraw/zinc/07/23/63/380072363.db2.gz HGDHVXCBUKAOQX-SECBINFHSA-N -1 0 307.372 -0.114 20 0 DBADRM CC[C@H](CS(=O)(=O)[N-][C@@H](CC(=O)OC)C(=O)OC)OC ZINC000420652361 380073527 /nfs/dbraw/zinc/07/35/27/380073527.db2.gz UXTVNZZNVTZJHP-BDAKNGLRSA-N -1 0 311.356 -0.565 20 0 DBADRM NS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000070416965 380090724 /nfs/dbraw/zinc/09/07/24/380090724.db2.gz FGXJFXTWUGRTLK-UHFFFAOYSA-N -1 0 316.364 -0.001 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@H](CC(C)C)OC ZINC000420696440 380074729 /nfs/dbraw/zinc/07/47/29/380074729.db2.gz YEZQQGLMIYBNPH-WDEREUQCSA-N -1 0 311.400 -0.109 20 0 DBADRM Cc1nc(NC(=O)c2cc(=O)[nH]cn2)c(C(=O)NCCO)n1C ZINC000626660441 380084512 /nfs/dbraw/zinc/08/45/12/380084512.db2.gz DSEIUMPRUSOYMD-UHFFFAOYSA-N -1 0 320.309 -0.801 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000571710350 380116153 /nfs/dbraw/zinc/11/61/53/380116153.db2.gz UMDKFVGUWUBXEA-NXEZZACHSA-N -1 0 319.383 -0.777 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H](OC)C[C@H]1CC(=O)[O-] ZINC000571759297 380118941 /nfs/dbraw/zinc/11/89/41/380118941.db2.gz JFPVUNAMGIMIKZ-UWVGGRQHSA-N -1 0 310.372 -0.627 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000571921274 380124415 /nfs/dbraw/zinc/12/44/15/380124415.db2.gz JMXQKCMGSBIUOV-LDYMZIIASA-N -1 0 308.338 -0.096 20 0 DBADRM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCCCC(=O)[O-])C1 ZINC000572119434 380133489 /nfs/dbraw/zinc/13/34/89/380133489.db2.gz SEHXEBVQDGFPSV-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)CSCC(=O)[O-])C1 ZINC000262887778 380204445 /nfs/dbraw/zinc/20/44/45/380204445.db2.gz YOPRVCMWEDHTGX-MRVPVSSYSA-N -1 0 310.397 -0.656 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CCCC[C@@H]1C(=O)[O-] ZINC000262272681 380178496 /nfs/dbraw/zinc/17/84/96/380178496.db2.gz ISDJHGZCKBWBMM-NXEZZACHSA-N -1 0 301.343 -0.214 20 0 DBADRM COCC[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000262263966 380178881 /nfs/dbraw/zinc/17/88/81/380178881.db2.gz FILYIIDHOOJRER-LLVKDONJSA-N -1 0 320.301 -0.112 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C)CCC(=O)[O-] ZINC000262203713 380181341 /nfs/dbraw/zinc/18/13/41/380181341.db2.gz WKIATHURFJQQCD-JTQLQIEISA-N -1 0 324.399 -0.300 20 0 DBADRM COCC[C@@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-] ZINC000262348733 380184572 /nfs/dbraw/zinc/18/45/72/380184572.db2.gz YMGPQKHRGKUTNE-GFCCVEGCSA-N -1 0 308.334 -0.049 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]c2n[nH]c(SCCO)n2)on1 ZINC000611588678 380184860 /nfs/dbraw/zinc/18/48/60/380184860.db2.gz FVXMDDIAJULOHT-UHFFFAOYSA-N -1 0 313.295 -0.084 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000262363267 380187814 /nfs/dbraw/zinc/18/78/14/380187814.db2.gz DCOCSCHHWPDJEX-UHFFFAOYSA-N -1 0 319.339 -0.459 20 0 DBADRM CCC[C@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-] ZINC000262695822 380200835 /nfs/dbraw/zinc/20/08/35/380200835.db2.gz XKAMMDYLFVJWHL-QMMMGPOBSA-N -1 0 316.401 -0.902 20 0 DBADRM C[C@](O)(CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1CC1 ZINC000611693496 380202705 /nfs/dbraw/zinc/20/27/05/380202705.db2.gz IUDKRJFRBSHVGE-ZDUSSCGKSA-N -1 0 314.363 -0.070 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC(=O)N(C3CC3)C2)cn1 ZINC000626716771 380266168 /nfs/dbraw/zinc/26/61/68/380266168.db2.gz SYVDUVTWDMXRAP-UHFFFAOYSA-N -1 0 324.362 -0.143 20 0 DBADRM CO[C@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000263021541 380207862 /nfs/dbraw/zinc/20/78/62/380207862.db2.gz ANYWZDCDIXGSKL-SNVBAGLBSA-N -1 0 306.274 -0.502 20 0 DBADRM CCC(CC)(CNC(=O)N1CCO[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000263006279 380208035 /nfs/dbraw/zinc/20/80/35/380208035.db2.gz ASSKXKGPMSGDON-SECBINFHSA-N -1 0 301.343 -0.227 20 0 DBADRM CCCCN1CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000263003520 380208136 /nfs/dbraw/zinc/20/81/36/380208136.db2.gz XMNFRKVRPIGZNS-NSHDSACASA-N -1 0 308.400 -0.167 20 0 DBADRM C[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H](C(=O)[O-])C1 ZINC000263130819 380210164 /nfs/dbraw/zinc/21/01/64/380210164.db2.gz VZJSLCNLQHZJDJ-ZJUUUORDSA-N -1 0 304.368 -0.266 20 0 DBADRM CO[C@@H](CNC(=O)Cn1nnc(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC000263150690 380211709 /nfs/dbraw/zinc/21/17/09/380211709.db2.gz WYWRUMWAZAHSAK-NSHDSACASA-N -1 0 319.321 -0.136 20 0 DBADRM CO[C@H](CNC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000263140993 380211899 /nfs/dbraw/zinc/21/18/99/380211899.db2.gz VHLDIPNNTFIIHK-MRVPVSSYSA-N -1 0 320.323 -0.641 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCN(c3ncccn3)CC2)cn1 ZINC000263261552 380213720 /nfs/dbraw/zinc/21/37/20/380213720.db2.gz JVSFQRVIDVFOOZ-UHFFFAOYSA-N -1 0 314.305 -0.073 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000611862929 380215615 /nfs/dbraw/zinc/21/56/15/380215615.db2.gz QPBGHJAZJVJFJJ-SECBINFHSA-N -1 0 317.371 -0.767 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263492705 380216626 /nfs/dbraw/zinc/21/66/26/380216626.db2.gz PMDNYYYQYIWJBP-OUJBWJOFSA-N -1 0 318.395 -0.020 20 0 DBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2c(C)cnn2C)C1 ZINC000572400112 380220334 /nfs/dbraw/zinc/22/03/34/380220334.db2.gz QJHCUOYVGLXOKE-NXEZZACHSA-N -1 0 317.367 -0.019 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c2ccccc2O1 ZINC000422676525 380294311 /nfs/dbraw/zinc/29/43/11/380294311.db2.gz DWSJAWQBKPRQHZ-BJOHPYRUSA-N -1 0 322.317 -0.248 20 0 DBADRM CCN1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1=O ZINC000422641806 380294466 /nfs/dbraw/zinc/29/44/66/380294466.db2.gz FIEJEGGOSCRXNR-UHFFFAOYSA-N -1 0 319.317 -0.100 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC(=O)N1 ZINC000422643575 380294591 /nfs/dbraw/zinc/29/45/91/380294591.db2.gz JFXHGNMVLPBMCR-SSDOTTSWSA-N -1 0 323.280 -0.191 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCCC[C@H]1CCO)C(=O)[O-] ZINC000422718297 380295697 /nfs/dbraw/zinc/29/56/97/380295697.db2.gz WWMLXRRYOKGRSX-MNOVXSKESA-N -1 0 300.355 -0.071 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000422725146 380296321 /nfs/dbraw/zinc/29/63/21/380296321.db2.gz XNTQWFLCEXMCMU-GMTAPVOTSA-N -1 0 300.355 -0.046 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCCn2ccnc2)C1 ZINC000422695885 380296769 /nfs/dbraw/zinc/29/67/69/380296769.db2.gz QJDKTAPZHKOCNI-VXGBXAGGSA-N -1 0 322.365 -0.041 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1=O ZINC000422843819 380299753 /nfs/dbraw/zinc/29/97/53/380299753.db2.gz JSDZQIUXOQUSJJ-AWEZNQCLSA-N -1 0 311.338 -1.000 20 0 DBADRM CCN1CCN(C(=O)C(=O)N(C)CCCC(=O)[O-])[C@@H](C)C1=O ZINC000422842613 380300349 /nfs/dbraw/zinc/30/03/49/380300349.db2.gz GCSPQHWOCXRLEB-JTQLQIEISA-N -1 0 313.354 -0.611 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000422851376 380300425 /nfs/dbraw/zinc/30/04/25/380300425.db2.gz OTMLQVOVLVEHCA-UWVGGRQHSA-N -1 0 312.322 -0.526 20 0 DBADRM CCN1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])[C@@H](C)C1=O ZINC000422844193 380300509 /nfs/dbraw/zinc/30/05/09/380300509.db2.gz LCRNHHGHEGOEMW-ZJUUUORDSA-N -1 0 313.354 -0.755 20 0 DBADRM CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000422842479 380300593 /nfs/dbraw/zinc/30/05/93/380300593.db2.gz YHQVQHHZZCCHIZ-QJPTWQEYSA-N -1 0 312.366 -0.071 20 0 DBADRM COCCOC1CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC000422867667 380301446 /nfs/dbraw/zinc/30/14/46/380301446.db2.gz STNILTLXOHGXQR-SECBINFHSA-N -1 0 302.327 -0.961 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C[C@@H]1OC ZINC000422868822 380301529 /nfs/dbraw/zinc/30/15/29/380301529.db2.gz WFHDMIXIJQVDRB-LPEHRKFASA-N -1 0 302.327 -0.962 20 0 DBADRM CO[C@H]1CN(C(=O)C(=O)N(C)CCCC(=O)[O-])C[C@@H]1OC ZINC000422869166 380301696 /nfs/dbraw/zinc/30/16/96/380301696.db2.gz WUJBSQBLXUMMNR-UWVGGRQHSA-N -1 0 302.327 -0.818 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC000422871038 380301999 /nfs/dbraw/zinc/30/19/99/380301999.db2.gz ZOPQUOYEIALNBW-WYUUTHIRSA-N -1 0 312.366 -0.215 20 0 DBADRM COC(=O)C[C@H]1CCCN1C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000422857553 380302054 /nfs/dbraw/zinc/30/20/54/380302054.db2.gz YOVAGKZCKPRQRW-NXEZZACHSA-N -1 0 314.338 -0.280 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C[C@H](C)O1 ZINC000422878709 380302350 /nfs/dbraw/zinc/30/23/50/380302350.db2.gz JSKGFAGVVAYRBQ-VWYCJHECSA-N -1 0 316.354 -0.572 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CF)C2)C1 ZINC000422929293 380303132 /nfs/dbraw/zinc/30/31/32/380303132.db2.gz PDBDHDXGLRVJLY-ZJUUUORDSA-N -1 0 302.302 -0.494 20 0 DBADRM CCN1CCCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC1=O ZINC000422894686 380303811 /nfs/dbraw/zinc/30/38/11/380303811.db2.gz CVSRQEHMLAPKPO-SNVBAGLBSA-N -1 0 313.354 -0.754 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[C@@H]2O)C[C@H]1C(=O)[O-] ZINC000422903794 380305292 /nfs/dbraw/zinc/30/52/92/380305292.db2.gz WNVNMLZYAJDCDX-KXNHARMFSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@H](CO)[C@@H]1C)C(=O)[O-] ZINC000422932031 380305719 /nfs/dbraw/zinc/30/57/19/380305719.db2.gz YMAYOZAGHOROKR-OUAUKWLOSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCO[C@H](CF)C2)C1 ZINC000422932541 380305815 /nfs/dbraw/zinc/30/58/15/380305815.db2.gz ZLYRNJSXRKARTF-OUAUKWLOSA-N -1 0 316.329 -0.248 20 0 DBADRM Cn1[n-]nnc1=NCCOc1ccc(NS(C)(=O)=O)cc1 ZINC000536894744 380395959 /nfs/dbraw/zinc/39/59/59/380395959.db2.gz YQBSSTWXWVCSQX-UHFFFAOYSA-N -1 0 312.355 -0.506 20 0 DBADRM C[C@H](CCCO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612237235 380381953 /nfs/dbraw/zinc/38/19/53/380381953.db2.gz YYICFSYHFDRPMZ-MRVPVSSYSA-N -1 0 302.352 -0.070 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1=O ZINC000612280304 380384110 /nfs/dbraw/zinc/38/41/10/380384110.db2.gz YIZZPCVIUUIYML-BDAKNGLRSA-N -1 0 316.383 -0.427 20 0 DBADRM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424490939 380389266 /nfs/dbraw/zinc/38/92/66/380389266.db2.gz WPQBXCOZXDCXHG-ZJUUUORDSA-N -1 0 300.355 -0.167 20 0 DBADRM COc1ccnc(CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])n1 ZINC000424491727 380392420 /nfs/dbraw/zinc/39/24/20/380392420.db2.gz YQIDPRYWWDAGCB-QMMMGPOBSA-N -1 0 310.310 -0.720 20 0 DBADRM CCC[C@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)c1nnn[n-]1 ZINC000612060079 380356453 /nfs/dbraw/zinc/35/64/53/380356453.db2.gz HIFCHDGOOQJRES-ZJUUUORDSA-N -1 0 309.330 -0.979 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000612814938 380446690 /nfs/dbraw/zinc/44/66/90/380446690.db2.gz GIRRELUNSOKXRZ-SNVBAGLBSA-N -1 0 319.369 -0.194 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000612816483 380446891 /nfs/dbraw/zinc/44/68/91/380446891.db2.gz GZVFRXHADCQNFR-DTWKUNHWSA-N -1 0 316.387 -0.767 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CCC[C@H](c3nnn[n-]3)C2)CC1=O ZINC000537125464 380452778 /nfs/dbraw/zinc/45/27/78/380452778.db2.gz PMMLNZUXMIKSLN-QWRGUYRKSA-N -1 0 322.369 -0.599 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2C=C[C@H](CO)C2)c1 ZINC000612499675 380412702 /nfs/dbraw/zinc/41/27/02/380412702.db2.gz DIGCAGSSOFATMK-DTWKUNHWSA-N -1 0 312.347 -0.294 20 0 DBADRM CC(C)[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613173807 380504847 /nfs/dbraw/zinc/50/48/47/380504847.db2.gz MWJGPLKAOXFMNJ-SNVBAGLBSA-N -1 0 302.352 -0.214 20 0 DBADRM CC1(c2nc(=NC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)s[n-]2)CC1 ZINC000628540199 380516402 /nfs/dbraw/zinc/51/64/02/380516402.db2.gz BPXVLTIAYKEILW-IWSPIJDZSA-N -1 0 311.363 -0.637 20 0 DBADRM O=C(CNC(=O)c1cccc(Br)c1[O-])NCCO ZINC000537680166 380482003 /nfs/dbraw/zinc/48/20/03/380482003.db2.gz AVVLKVIOMPBGSZ-UHFFFAOYSA-N -1 0 317.139 -0.007 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)c1[O-] ZINC000628576624 380529458 /nfs/dbraw/zinc/52/94/58/380529458.db2.gz DKHXTVODLMYPQE-OAHLLOKOSA-N -1 0 324.381 -0.231 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2COCCC2=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000628890930 380569609 /nfs/dbraw/zinc/56/96/09/380569609.db2.gz SLEFBZVCRQNKSY-MRVPVSSYSA-N -1 0 318.289 -0.168 20 0 DBADRM CCOC[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCO1 ZINC000628902828 380571577 /nfs/dbraw/zinc/57/15/77/380571577.db2.gz LIOYQQDKQDTRFC-QMMMGPOBSA-N -1 0 302.356 -0.134 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCOC1)NS(=O)(=O)[C@@H]1CCOC1 ZINC000629337667 380630687 /nfs/dbraw/zinc/63/06/87/380630687.db2.gz BPPASJFWUWRURR-AXFHLTTASA-N -1 0 307.368 -0.035 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000629338744 380631678 /nfs/dbraw/zinc/63/16/78/380631678.db2.gz QGGQFWKDEHMYMX-NXEZZACHSA-N -1 0 317.367 -0.032 20 0 DBADRM COC[C@@]1(C)CN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCO1 ZINC000629346160 380635088 /nfs/dbraw/zinc/63/50/88/380635088.db2.gz DGLCAFIKBWQNPJ-ZYHUDNBSSA-N -1 0 322.383 -0.483 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)c1cn[nH]n1 ZINC000629438958 380646640 /nfs/dbraw/zinc/64/66/40/380646640.db2.gz GZKIKBZZEGYHKR-GFCCVEGCSA-N -1 0 302.338 -0.170 20 0 DBADRM NS(=O)(=O)NC1CCN(C(=O)c2cc(F)ccc2O)CC1 ZINC000629186852 380607251 /nfs/dbraw/zinc/60/72/51/380607251.db2.gz ZHAACANFZGDIMA-UHFFFAOYSA-N -1 0 317.342 -0.071 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])n1C ZINC000629293220 380621870 /nfs/dbraw/zinc/62/18/70/380621870.db2.gz HDCJTPZBMJFYHC-UWVGGRQHSA-N -1 0 317.367 -0.113 20 0 DBADRM CCO[C@H](CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C1CC1 ZINC000629292123 380622023 /nfs/dbraw/zinc/62/20/23/380622023.db2.gz ZUUFGOAWNSTOMH-VHSXEESVSA-N -1 0 322.383 -0.560 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)n1C ZINC000629293296 380622168 /nfs/dbraw/zinc/62/21/68/380622168.db2.gz IPAXHDUATZPQSI-JTQLQIEISA-N -1 0 313.339 -0.434 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)CO1 ZINC000629293664 380622449 /nfs/dbraw/zinc/62/24/49/380622449.db2.gz NNFZVVJXTWOKTC-LPEHRKFASA-N -1 0 307.368 -0.037 20 0 DBADRM Cc1ncc(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])n1C ZINC000629299108 380623530 /nfs/dbraw/zinc/62/35/30/380623530.db2.gz MASAVCCJRQNKHM-QMMMGPOBSA-N -1 0 305.356 -0.425 20 0 DBADRM CCC(=O)C[C@@H](NS(=O)(=O)c1cnc(C)n1C)C(=O)[O-] ZINC000629296924 380623635 /nfs/dbraw/zinc/62/36/35/380623635.db2.gz YFARUFBTURLZJM-SECBINFHSA-N -1 0 303.340 -0.171 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N1CCOC[C@@H]1C(=O)[O-])C1CC1 ZINC000629299090 380623641 /nfs/dbraw/zinc/62/36/41/380623641.db2.gz LXMYFVFEGKHNQP-MNOVXSKESA-N -1 0 307.368 -0.083 20 0 DBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cnc(C)n1C ZINC000629303261 380623784 /nfs/dbraw/zinc/62/37/84/380623784.db2.gz HBZODXDIXOUDIY-QMMMGPOBSA-N -1 0 305.356 -0.161 20 0 DBADRM CCO[C@H](CS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1)C1CC1 ZINC000629303508 380623956 /nfs/dbraw/zinc/62/39/56/380623956.db2.gz KISVDTALKCOESW-WDEREUQCSA-N -1 0 307.368 -0.083 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2cn(C)nc2C)[C@@](C)(C(=O)[O-])C1 ZINC000629308076 380625254 /nfs/dbraw/zinc/62/52/54/380625254.db2.gz ICIMDGYNOIDFQX-BXKDBHETSA-N -1 0 317.367 -0.019 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2cnn(C)c2)[C@@](C)(C(=O)[O-])C1 ZINC000629310637 380625485 /nfs/dbraw/zinc/62/54/85/380625485.db2.gz VHAVYEPEIQNQKO-LDYMZIIASA-N -1 0 303.340 -0.327 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cnnn2C)[C@@](C)(C(=O)[O-])C1 ZINC000629308925 380627690 /nfs/dbraw/zinc/62/76/90/380627690.db2.gz YABTYOMCCJVMHU-OIBJUYFYSA-N -1 0 304.328 -0.932 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000195270931 380714963 /nfs/dbraw/zinc/71/49/63/380714963.db2.gz IIJIQGZUXOPZET-RNFRBKRXSA-N -1 0 324.346 -0.110 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000629775023 380717046 /nfs/dbraw/zinc/71/70/46/380717046.db2.gz GOPTVHUFPMMQBE-VWYCJHECSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000629775022 380717226 /nfs/dbraw/zinc/71/72/26/380717226.db2.gz GOPTVHUFPMMQBE-OUAUKWLOSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCc3c[nH]nc3C2)CC[C@@H]1C(=O)[O-] ZINC000629775965 380718201 /nfs/dbraw/zinc/71/82/01/380718201.db2.gz KWTIFCOQSLWSDE-ONGXEEELSA-N -1 0 320.349 -0.136 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CCn2cccn2)CC[C@@H]1C(=O)[O-] ZINC000629778387 380718940 /nfs/dbraw/zinc/71/89/40/380718940.db2.gz WBSYBTYMHWFHSX-RYUDHWBXSA-N -1 0 322.365 -0.089 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000629777509 380719044 /nfs/dbraw/zinc/71/90/44/380719044.db2.gz SHWYSFDGDCFXEX-RWSFTLGLSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)O)CC[C@@H]1C(=O)[O-] ZINC000629777072 380719079 /nfs/dbraw/zinc/71/90/79/380719079.db2.gz PCWWWJITYWCYAC-ZJUUUORDSA-N -1 0 300.355 -0.215 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NCC1(CO)CCOCC1 ZINC000195429758 380719287 /nfs/dbraw/zinc/71/92/87/380719287.db2.gz DUKBLFWZUAKEOH-UHFFFAOYSA-N -1 0 306.306 -0.238 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C2CC2)CC[C@@H]1C(=O)[O-] ZINC000629781442 380719701 /nfs/dbraw/zinc/71/97/01/380719701.db2.gz NVDBUIOPKGRJMX-USWWRNFRSA-N -1 0 312.366 -0.215 20 0 DBADRM CCc1c(C(=O)NCC(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000455759414 380720303 /nfs/dbraw/zinc/72/03/03/380720303.db2.gz UHMJDMNVCDDJIR-UHFFFAOYSA-N -1 0 320.305 -0.991 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cncn2C)C1=O ZINC000455775102 380720860 /nfs/dbraw/zinc/72/08/60/380720860.db2.gz BIRZEWFHEKACDT-GXSJLCMTSA-N -1 0 308.338 -0.140 20 0 DBADRM CCOC[C@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CCO1 ZINC000629782681 380720995 /nfs/dbraw/zinc/72/09/95/380720995.db2.gz GXJSTIBWJQKPQH-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N(C1CC1)C1CC1)C2 ZINC000629783941 380721045 /nfs/dbraw/zinc/72/10/45/380721045.db2.gz VLOLMWIOPSBUSF-RFAUZJTJSA-N -1 0 308.334 -0.301 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCO[C@H](CCF)C1)C(=O)[O-] ZINC000629782316 380721079 /nfs/dbraw/zinc/72/10/79/380721079.db2.gz UWXUBZXXLIIRAA-VHSXEESVSA-N -1 0 304.318 -0.248 20 0 DBADRM C[C@@H]1CC(F)(F)CCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000629783322 380721163 /nfs/dbraw/zinc/72/11/63/380721163.db2.gz RGARRKRAZLGFPA-BDAKNGLRSA-N -1 0 320.292 -0.055 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)CC[C@H]1C(=O)[O-] ZINC000629783160 380721442 /nfs/dbraw/zinc/72/14/42/380721442.db2.gz FZGAOWRTNLKWPT-KIJLLGNVSA-N -1 0 324.377 -0.073 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)C1 ZINC000629784370 380722281 /nfs/dbraw/zinc/72/22/81/380722281.db2.gz SOPVLDXGFOZYGL-NNYUYHANSA-N -1 0 310.350 -0.319 20 0 DBADRM COCC(COC)S(=O)(=O)N[C@@H](C)C(=O)NCCF ZINC000641478587 380924520 /nfs/dbraw/zinc/92/45/20/380924520.db2.gz ITVWQDFBEFINPI-QMMMGPOBSA-N -1 0 300.352 -0.959 20 0 DBADRM COCC(COC)S(=O)(=O)N[C@H](C)C(=O)NCCF ZINC000641478586 380924661 /nfs/dbraw/zinc/92/46/61/380924661.db2.gz ITVWQDFBEFINPI-MRVPVSSYSA-N -1 0 300.352 -0.959 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000623509010 381010124 /nfs/dbraw/zinc/01/01/24/381010124.db2.gz PMWVEWIONIFFQI-QMMMGPOBSA-N -1 0 314.367 -0.293 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)Nc1n[nH]nc1C(N)=O ZINC000496035798 380996759 /nfs/dbraw/zinc/99/67/59/380996759.db2.gz KXWCNUFPYAQRBJ-ZCFIWIBFSA-N -1 0 310.314 -0.149 20 0 DBADRM NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)cc1 ZINC000222496079 381070339 /nfs/dbraw/zinc/07/03/39/381070339.db2.gz SDVFVQZPOQWYEN-VHSXEESVSA-N -1 0 314.319 -0.095 20 0 DBADRM COC[C@H](CCO)[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000231520022 381103294 /nfs/dbraw/zinc/10/32/94/381103294.db2.gz FDPFTYZBXBVXNI-ZETCQYMHSA-N -1 0 324.380 -0.395 20 0 DBADRM CC(C)C[C@@H](CNC(=O)NCCS(=O)(=O)N(C)C)C(=O)[O-] ZINC000231021521 381103810 /nfs/dbraw/zinc/10/38/10/381103810.db2.gz LNPLLZFCJITHCL-JTQLQIEISA-N -1 0 323.415 -0.076 20 0 DBADRM COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@H]1CNC(=O)C1 ZINC000232228075 381105338 /nfs/dbraw/zinc/10/53/38/381105338.db2.gz JQJIZCUJROZFSX-MRVPVSSYSA-N -1 0 316.310 -0.221 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(C)(C)CC(N)=O ZINC000231521858 381106526 /nfs/dbraw/zinc/10/65/26/381106526.db2.gz QQTRQCKAOOOEQO-UHFFFAOYSA-N -1 0 321.380 -0.138 20 0 DBADRM CS(=O)(=O)C[C@H](C(=O)NCc1nnn[n-]1)c1ccccc1 ZINC000613537015 381138063 /nfs/dbraw/zinc/13/80/63/381138063.db2.gz DJOUUMAFCLCMKG-JTQLQIEISA-N -1 0 309.351 -0.356 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000026467464 381158047 /nfs/dbraw/zinc/15/80/47/381158047.db2.gz QGJCJEKHAGSQGA-NSHDSACASA-N -1 0 312.347 -0.041 20 0 DBADRM CC1(C)[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@@H]1O ZINC000613679877 381181772 /nfs/dbraw/zinc/18/17/72/381181772.db2.gz NYNTXCPBOKAANG-MNOVXSKESA-N -1 0 314.363 -0.071 20 0 DBADRM NC(=O)[C@]1(O)CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000613854722 381200266 /nfs/dbraw/zinc/20/02/66/381200266.db2.gz XHGFESVYMZBCJF-AWEZNQCLSA-N -1 0 318.289 -0.908 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CC[C@H](CO)[C@@H](O)C1 ZINC000613907487 381204913 /nfs/dbraw/zinc/20/49/13/381204913.db2.gz NNEUXWTYLMYKFN-NEPJUHHUSA-N -1 0 319.317 -0.155 20 0 DBADRM Cn1[n-]c(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1=O ZINC000614494473 381260749 /nfs/dbraw/zinc/26/07/49/381260749.db2.gz LEZRLTGCUNUQDL-IUCAKERBSA-N -1 0 316.383 -0.427 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000614170780 381231451 /nfs/dbraw/zinc/23/14/51/381231451.db2.gz HMFMWUNOXZRVIM-LPEHRKFASA-N -1 0 308.338 -0.284 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(CCO)CCC(=O)[O-])c[nH]1 ZINC000614375925 381248582 /nfs/dbraw/zinc/24/85/82/381248582.db2.gz HQXISUOJVBFHMJ-UHFFFAOYSA-N -1 0 320.323 -0.741 20 0 DBADRM COC[C@]1(NC(=O)c2cc(=O)[nH][n-]2)COc2ccccc2C1 ZINC000529957137 381288582 /nfs/dbraw/zinc/28/85/82/381288582.db2.gz BBPLZOYQVGSXHA-HNNXBMFYSA-N -1 0 303.318 -0.001 20 0 DBADRM C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000530141502 381291739 /nfs/dbraw/zinc/29/17/39/381291739.db2.gz YBJWDAMCTYQKNV-MNOVXSKESA-N -1 0 320.411 -0.026 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000530141587 381292132 /nfs/dbraw/zinc/29/21/32/381292132.db2.gz ZZHGQYINAGUFLQ-NSHDSACASA-N -1 0 320.411 -0.024 20 0 DBADRM O=C([O-])[C@@H]1c2ccoc2CCN1S(=O)(=O)N1CCOCC1 ZINC000530140155 381292580 /nfs/dbraw/zinc/29/25/80/381292580.db2.gz FMANZRVHMDVVLA-NSHDSACASA-N -1 0 316.335 -0.160 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)NC[C@H]1CCCOC1 ZINC000530148454 381294336 /nfs/dbraw/zinc/29/43/36/381294336.db2.gz DSGHNZBVVFGMJL-MRVPVSSYSA-N -1 0 303.340 -0.177 20 0 DBADRM CCn1nncc1CNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000530149048 381294380 /nfs/dbraw/zinc/29/43/80/381294380.db2.gz MALAKYWOKOLUQJ-VIFPVBQESA-N -1 0 317.371 -0.571 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCC23CC(C2)CO3)CC1 ZINC000530153285 381295661 /nfs/dbraw/zinc/29/56/61/381295661.db2.gz WGDDPZMTLDVUGX-UHFFFAOYSA-N -1 0 304.368 -0.204 20 0 DBADRM CCOC[C@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])CCO1 ZINC000530153870 381295771 /nfs/dbraw/zinc/29/57/71/381295771.db2.gz YTXNDLMGAGMSSJ-SNVBAGLBSA-N -1 0 310.372 -0.625 20 0 DBADRM CNS(=O)(=O)c1ccc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)nc1 ZINC000530177448 381295897 /nfs/dbraw/zinc/29/58/97/381295897.db2.gz QBOSHJYBWOGZIS-SCZZXKLOSA-N -1 0 315.351 -0.332 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C)cnc2N)C1 ZINC000530153381 381296193 /nfs/dbraw/zinc/29/61/93/381296193.db2.gz PMIVZXYCPDWSAC-LBPRGKRZSA-N -1 0 315.351 -0.164 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000530154038 381296251 /nfs/dbraw/zinc/29/62/51/381296251.db2.gz RJLRMBUGYBSZJV-LLVKDONJSA-N -1 0 303.340 -0.407 20 0 DBADRM COc1ccc(S(=O)(=O)N2CC[C@@](OC)(C(=O)[O-])C2)cn1 ZINC000530154541 381296263 /nfs/dbraw/zinc/29/62/63/381296263.db2.gz VRCIVFJKDBAZCA-LBPRGKRZSA-N -1 0 316.335 -0.046 20 0 DBADRM O=C([O-])c1coc(N2CCN(S(=O)(=O)C3CC3)CC2)n1 ZINC000530173810 381296325 /nfs/dbraw/zinc/29/63/25/381296325.db2.gz AWAUTMDHCDYJSP-UHFFFAOYSA-N -1 0 301.324 -0.013 20 0 DBADRM O=C(CN1CCCNC1=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000530296355 381302666 /nfs/dbraw/zinc/30/26/66/381302666.db2.gz KRUSEPBQXKSGEF-UHFFFAOYSA-N -1 0 317.309 -0.278 20 0 DBADRM COCCN1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1=O ZINC000614542438 381272757 /nfs/dbraw/zinc/27/27/57/381272757.db2.gz YYYQLJQYCXYXRM-UHFFFAOYSA-N -1 0 306.278 -0.183 20 0 DBADRM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC000614684071 381321600 /nfs/dbraw/zinc/32/16/00/381321600.db2.gz AECRICKPHYYTCA-SECBINFHSA-N -1 0 316.383 -0.378 20 0 DBADRM O=C(CNC(=O)c1cccnc1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000538223541 381325024 /nfs/dbraw/zinc/32/50/24/381325024.db2.gz RCGCUPAVGALDIK-NSHDSACASA-N -1 0 315.337 -0.269 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)Cn2cc(C(=O)[O-])cn2)CC1=O ZINC000630123248 381326743 /nfs/dbraw/zinc/32/67/43/381326743.db2.gz OMNIDYVNMARMQC-DVVUODLYSA-N -1 0 306.322 -0.293 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC([C@@H](C)C(=O)[O-])C1 ZINC000530367486 381307003 /nfs/dbraw/zinc/30/70/03/381307003.db2.gz WPSCXNSTKUFSCT-MRVPVSSYSA-N -1 0 308.356 -0.621 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCn2ccnc2)CC[C@@H]1C(=O)[O-] ZINC000627260007 381318319 /nfs/dbraw/zinc/31/83/19/381318319.db2.gz CPJIGXKFHIUMEZ-QWRGUYRKSA-N -1 0 308.338 -0.432 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCn2cccn2)CC[C@H]1C(=O)[O-] ZINC000627265264 381347022 /nfs/dbraw/zinc/34/70/22/381347022.db2.gz GQKDKWBGAYUIFH-GHMZBOCLSA-N -1 0 308.338 -0.432 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000627265082 381347755 /nfs/dbraw/zinc/34/77/55/381347755.db2.gz DGDPCFRQBDPXPB-KCJUWKMLSA-N -1 0 308.338 -0.096 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000627265797 381349380 /nfs/dbraw/zinc/34/93/80/381349380.db2.gz NZZAGZBUUSZYTR-QJPTWQEYSA-N -1 0 322.365 -0.043 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC000630153649 381351925 /nfs/dbraw/zinc/35/19/25/381351925.db2.gz GVVNIFGYSRPCRZ-UHFFFAOYSA-N -1 0 315.351 -0.478 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC(C)(C)C(=O)[O-])c1 ZINC000539605067 381356952 /nfs/dbraw/zinc/35/69/52/381356952.db2.gz IJFZOSOKVGEHHP-UHFFFAOYSA-N -1 0 303.340 -0.142 20 0 DBADRM CN(CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21)S(C)(=O)=O ZINC000630283331 381378582 /nfs/dbraw/zinc/37/85/82/381378582.db2.gz SQYOIOGZGJQOLL-OUAUKWLOSA-N -1 0 318.395 -0.020 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000630274800 381378701 /nfs/dbraw/zinc/37/87/01/381378701.db2.gz ZMUXESOMPIXCCD-ZJUUUORDSA-N -1 0 322.383 -0.736 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN(c3nncn3C)CC2)O[C@H]1C(=O)[O-] ZINC000630203755 381362999 /nfs/dbraw/zinc/36/29/99/381362999.db2.gz FPMBAQCIXMBNJO-GMTAPVOTSA-N -1 0 323.353 -0.658 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)O[C@H]1C(=O)[O-] ZINC000630199248 381363384 /nfs/dbraw/zinc/36/33/84/381363384.db2.gz FOCLIAJQTDUHFL-ZYUZMQFOSA-N -1 0 320.367 -0.985 20 0 DBADRM CCN1CCOC[C@H]1C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC000630218530 381364132 /nfs/dbraw/zinc/36/41/32/381364132.db2.gz FRTGHXBMEMJXII-QWRGUYRKSA-N -1 0 302.396 -0.017 20 0 DBADRM CN(CC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-])S(C)(=O)=O ZINC000630275563 381378928 /nfs/dbraw/zinc/37/89/28/381378928.db2.gz OLZBLFZGSMEIPH-NXEZZACHSA-N -1 0 322.383 -0.736 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000630223757 381366242 /nfs/dbraw/zinc/36/62/42/381366242.db2.gz LIDFWLBTUFISTF-JTQLQIEISA-N -1 0 318.395 -0.572 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(C(=O)C(C)(C)S(C)(=O)=O)CC1 ZINC000630226996 381367514 /nfs/dbraw/zinc/36/75/14/381367514.db2.gz USHCIQHCBLCLAT-UHFFFAOYSA-N -1 0 320.411 -0.183 20 0 DBADRM O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000540424850 381367552 /nfs/dbraw/zinc/36/75/52/381367552.db2.gz RUOSIYWZAQUUAN-UWVGGRQHSA-N -1 0 304.354 -0.083 20 0 DBADRM CC(C)CS(=O)(=O)N1CCC(N=c2nn[n-]n2C)CC1 ZINC000540692451 381368877 /nfs/dbraw/zinc/36/88/77/381368877.db2.gz VQOQLOBTEPWAIZ-UHFFFAOYSA-N -1 0 302.404 -0.506 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000630274795 381379709 /nfs/dbraw/zinc/37/97/09/381379709.db2.gz ZMUXESOMPIXCCD-UWVGGRQHSA-N -1 0 322.383 -0.736 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-] ZINC000540983724 381374880 /nfs/dbraw/zinc/37/48/80/381374880.db2.gz VHZJLMKONGUJCB-GHMZBOCLSA-N -1 0 318.351 -0.017 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC000630254237 381376558 /nfs/dbraw/zinc/37/65/58/381376558.db2.gz ORGZBKHVUNXEPC-SKDRFNHKSA-N -1 0 305.352 -0.344 20 0 DBADRM C[C@@H]1CN(C(=O)Cc2nnn(C(C)(C)C)n2)C[C@@H](C(=O)[O-])O1 ZINC000630261439 381376814 /nfs/dbraw/zinc/37/68/14/381376814.db2.gz OYXXHOITGQPNGV-BDAKNGLRSA-N -1 0 311.342 -0.329 20 0 DBADRM O=C([O-])COCCNC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000630261847 381376866 /nfs/dbraw/zinc/37/68/66/381376866.db2.gz DSWPRNFBVGJJCX-UHFFFAOYSA-N -1 0 324.289 -0.638 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCCOCC(=O)[O-] ZINC000630263585 381377358 /nfs/dbraw/zinc/37/73/58/381377358.db2.gz ZHYGXURJKQYPRE-VIFPVBQESA-N -1 0 310.372 -0.832 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000627263611 381343485 /nfs/dbraw/zinc/34/34/85/381343485.db2.gz HNIFDFPBXJYAPB-TUAOUCFPSA-N -1 0 322.365 -0.043 20 0 DBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000630441702 381416995 /nfs/dbraw/zinc/41/69/95/381416995.db2.gz QQLADFJLMUACOU-WPRPVWTQSA-N -1 0 302.352 -0.514 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1=O ZINC000630444176 381417442 /nfs/dbraw/zinc/41/74/42/381417442.db2.gz CBVMFAMFNXFAEX-AXFHLTTASA-N -1 0 318.395 -0.020 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCOC1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000630268563 381379988 /nfs/dbraw/zinc/37/99/88/381379988.db2.gz ATXPKSOHVDMTQR-UTLUCORTSA-N -1 0 320.367 -0.936 20 0 DBADRM COCCO[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000630291757 381381341 /nfs/dbraw/zinc/38/13/41/381381341.db2.gz YWOALWXJICSFQF-JTQLQIEISA-N -1 0 312.326 -0.370 20 0 DBADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCCCN2CCCS2(=O)=O)O1 ZINC000630304981 381383104 /nfs/dbraw/zinc/38/31/04/381383104.db2.gz DFBUTIURXZWSAU-NXEZZACHSA-N -1 0 320.367 -0.840 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@@]1(C)C(=O)[O-] ZINC000630305057 381384274 /nfs/dbraw/zinc/38/42/74/381384274.db2.gz PZMRDKGCSCGLBR-KBVBSXBZSA-N -1 0 304.368 -0.411 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000630312463 381388066 /nfs/dbraw/zinc/38/80/66/381388066.db2.gz OUTQZYJKKYNZCY-CABZTGNLSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000630341298 381390113 /nfs/dbraw/zinc/39/01/13/381390113.db2.gz RMBAJKLGRWPXPG-GFCCVEGCSA-N -1 0 322.383 -0.688 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1=O ZINC000630444178 381416294 /nfs/dbraw/zinc/41/62/94/381416294.db2.gz CBVMFAMFNXFAEX-GMTAPVOTSA-N -1 0 318.395 -0.020 20 0 DBADRM CN1CC[C@@H](C(=O)NC[C@]2(C(=O)[O-])CCCOC2)S1(=O)=O ZINC000630342542 381392391 /nfs/dbraw/zinc/39/23/91/381392391.db2.gz ZPIYLGQDRJVEBH-JOYOIKCWSA-N -1 0 320.367 -0.982 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000627269103 381445228 /nfs/dbraw/zinc/44/52/28/381445228.db2.gz MYZNRQKOQUDVML-JQWIXIFHSA-N -1 0 322.365 -0.123 20 0 DBADRM C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000630574733 381446588 /nfs/dbraw/zinc/44/65/88/381446588.db2.gz SHBLCTKOIFFCPE-KGLIPLIRSA-N -1 0 321.377 -0.242 20 0 DBADRM C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000630574735 381447044 /nfs/dbraw/zinc/44/70/44/381447044.db2.gz SHBLCTKOIFFCPE-ZIAGYGMSSA-N -1 0 321.377 -0.242 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N(CC(=O)[O-])CC2CC2)CC1=O ZINC000630445253 381419209 /nfs/dbraw/zinc/41/92/09/381419209.db2.gz GSLDVIYPCMHGLT-JTQLQIEISA-N -1 0 304.368 -0.266 20 0 DBADRM CO[C@H](CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)CC(=O)[O-] ZINC000232107950 381419943 /nfs/dbraw/zinc/41/99/43/381419943.db2.gz IUKDYBSKNZRENX-AEJSXWLSSA-N -1 0 310.372 -0.580 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000547546853 381485072 /nfs/dbraw/zinc/48/50/72/381485072.db2.gz AVZBLNHSQXWMKZ-SCZZXKLOSA-N -1 0 302.356 -0.276 20 0 DBADRM C[C@@H](CN(C)C(=O)CCN1CCCS1(=O)=O)c1nnn[n-]1 ZINC000547486796 381480283 /nfs/dbraw/zinc/48/02/83/381480283.db2.gz DXYFEGOQPZMBRT-VIFPVBQESA-N -1 0 316.387 -0.813 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)c2c[nH]nc2C)C(=O)[O-])c1 ZINC000547557155 381485354 /nfs/dbraw/zinc/48/53/54/381485354.db2.gz ITXJBKAXQCJDLZ-VIFPVBQESA-N -1 0 313.339 -0.345 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCN(Cc2ccccn2)CC1 ZINC000630616608 381460549 /nfs/dbraw/zinc/46/05/49/381460549.db2.gz OMRHOVZHDHXZKZ-UHFFFAOYSA-N -1 0 301.354 -0.128 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000547553264 381484647 /nfs/dbraw/zinc/48/46/47/381484647.db2.gz BNHGSFDLDJQCKW-SNVBAGLBSA-N -1 0 313.339 -0.259 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000630634617 381468539 /nfs/dbraw/zinc/46/85/39/381468539.db2.gz WZKHOXRIVJUBQD-UHFFFAOYSA-N -1 0 321.385 -0.118 20 0 DBADRM Nc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC000547548125 381484804 /nfs/dbraw/zinc/48/48/04/381484804.db2.gz FCVZGBLQHLJKHC-NSHDSACASA-N -1 0 310.335 -0.034 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000547929331 381503859 /nfs/dbraw/zinc/50/38/59/381503859.db2.gz YZONOOARMTVKHV-VIFPVBQESA-N -1 0 316.379 -0.124 20 0 DBADRM CC(C)OCCS(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000547928928 381504305 /nfs/dbraw/zinc/50/43/05/381504305.db2.gz HSWHBILMFKOFLP-DYBLOJMWSA-N -1 0 313.397 -0.741 20 0 DBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccccc1 ZINC000547930010 381504429 /nfs/dbraw/zinc/50/44/29/381504429.db2.gz DXWWGAKCFVSICT-MGNBDDOMSA-N -1 0 303.361 -0.107 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000547940568 381505555 /nfs/dbraw/zinc/50/55/55/381505555.db2.gz QDCYKIDWBVQDMR-QMMMGPOBSA-N -1 0 303.344 -0.819 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1cnn(CC)c1)C(=O)[O-] ZINC000547937466 381505567 /nfs/dbraw/zinc/50/55/67/381505567.db2.gz GWWUNSSVZLHVLQ-UWVGGRQHSA-N -1 0 305.356 -0.205 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000548225887 381520433 /nfs/dbraw/zinc/52/04/33/381520433.db2.gz ZQCBBYBPWYMYEN-LLVKDONJSA-N -1 0 316.383 -0.408 20 0 DBADRM CN1CC[C@H](NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1=O ZINC000548113996 381514462 /nfs/dbraw/zinc/51/44/62/381514462.db2.gz HOEOIGXZTDQROC-JTQLQIEISA-N -1 0 302.290 -0.010 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000548198424 381516785 /nfs/dbraw/zinc/51/67/85/381516785.db2.gz QJSHHEFPTNIGBE-WPRPVWTQSA-N -1 0 305.356 -0.250 20 0 DBADRM COCCCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000548198871 381517765 /nfs/dbraw/zinc/51/77/65/381517765.db2.gz DPVUGAQNVWKJBS-SNVBAGLBSA-N -1 0 305.356 -0.108 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000548210664 381519005 /nfs/dbraw/zinc/51/90/05/381519005.db2.gz WPKMJNAXEGBDRA-NSHDSACASA-N -1 0 311.319 -0.404 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(=O)OC)o1 ZINC000548233316 381521189 /nfs/dbraw/zinc/52/11/89/381521189.db2.gz PNLHGMIGZLHYOX-ZETCQYMHSA-N -1 0 321.307 -0.214 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H](C(=O)[O-])C1CCC1 ZINC000547589902 381486798 /nfs/dbraw/zinc/48/67/98/381486798.db2.gz WIUFRVIIFDTHSU-SECBINFHSA-N -1 0 313.397 -0.406 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000547581364 381486822 /nfs/dbraw/zinc/48/68/22/381486822.db2.gz BSNNQOCIZZLKCY-HTQZYQBOSA-N -1 0 301.324 -0.819 20 0 DBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000547584179 381486999 /nfs/dbraw/zinc/48/69/99/381486999.db2.gz CWPDESGMOCELCB-GMTAPVOTSA-N -1 0 324.399 -0.502 20 0 DBADRM CC(C)CN(CC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC000547586862 381487073 /nfs/dbraw/zinc/48/70/73/381487073.db2.gz CWIBXPAMJJDEOY-UHFFFAOYSA-N -1 0 315.413 -0.207 20 0 DBADRM CC1CCN(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])CC1 ZINC000547605301 381488313 /nfs/dbraw/zinc/48/83/13/381488313.db2.gz FXVIBDLRNKHIJZ-OVWNDWIMSA-N -1 0 324.424 -0.519 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1ccnn1CC)C(=O)[O-] ZINC000547614066 381488548 /nfs/dbraw/zinc/48/85/48/381488548.db2.gz DRSYTLWTVJTDRY-WPRPVWTQSA-N -1 0 305.356 -0.205 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000547608572 381488714 /nfs/dbraw/zinc/48/87/14/381488714.db2.gz DXPDSEZTTPAJHX-KWQFWETISA-N -1 0 317.367 -0.278 20 0 DBADRM C[C@H](CNS(=O)(=O)CCCS(C)(=O)=O)CC(=O)[O-] ZINC000547615697 381488734 /nfs/dbraw/zinc/48/87/34/381488734.db2.gz XUIUPISVQQMEAP-QMMMGPOBSA-N -1 0 301.386 -0.549 20 0 DBADRM Cc1cc(C(=O)NC(C)(CO)CO)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000547805484 381496839 /nfs/dbraw/zinc/49/68/39/381496839.db2.gz ZYZIVSPZIMIENK-UHFFFAOYSA-N -1 0 308.294 -0.782 20 0 DBADRM COC(=O)c1cc(F)cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000548203465 381520019 /nfs/dbraw/zinc/52/00/19/381520019.db2.gz MBRMOEKAKYYJQB-SECBINFHSA-N -1 0 321.282 -0.664 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548201720 381520057 /nfs/dbraw/zinc/52/00/57/381520057.db2.gz SBTXTHGHVRLBLN-NXEZZACHSA-N -1 0 310.372 -0.721 20 0 DBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC000548206176 381520067 /nfs/dbraw/zinc/52/00/67/381520067.db2.gz MKPHTZRKYNWQBP-GUBZILKMSA-N -1 0 323.367 -0.527 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1N(C)C ZINC000547873664 381499047 /nfs/dbraw/zinc/49/90/47/381499047.db2.gz RSYUETCAFXXWOL-JTQLQIEISA-N -1 0 302.352 -0.215 20 0 DBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC000547868783 381500681 /nfs/dbraw/zinc/50/06/81/381500681.db2.gz MKPHTZRKYNWQBP-IVZWLZJFSA-N -1 0 323.367 -0.527 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])oc1C ZINC000547869973 381500724 /nfs/dbraw/zinc/50/07/24/381500724.db2.gz VNFHSLVGOFOAGJ-QMMMGPOBSA-N -1 0 321.307 -0.511 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000547877477 381502086 /nfs/dbraw/zinc/50/20/86/381502086.db2.gz XMINKFAVUJQOIF-LURJTMIESA-N -1 0 318.298 -0.576 20 0 DBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000547882674 381502283 /nfs/dbraw/zinc/50/22/83/381502283.db2.gz WSOZDNJAFLBBFP-XHNCKOQMSA-N -1 0 309.340 -0.917 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000547897657 381502871 /nfs/dbraw/zinc/50/28/71/381502871.db2.gz XHMZCGMAOATEDY-JTQLQIEISA-N -1 0 303.292 -0.207 20 0 DBADRM COC[C@H](C)S(=O)(=O)N[C@@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000548551186 381537177 /nfs/dbraw/zinc/53/71/77/381537177.db2.gz ZOTNKVIAOFQIQV-QWRGUYRKSA-N -1 0 319.383 -0.093 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-] ZINC000548549509 381537770 /nfs/dbraw/zinc/53/77/70/381537770.db2.gz IQXWZDTVBMCMFH-SECBINFHSA-N -1 0 316.291 -0.089 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)cn1 ZINC000548538323 381537786 /nfs/dbraw/zinc/53/77/86/381537786.db2.gz JFPWGWZCASJAFJ-SCZZXKLOSA-N -1 0 303.340 -0.329 20 0 DBADRM C[C@H](CCCC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O ZINC000548556485 381537912 /nfs/dbraw/zinc/53/79/12/381537912.db2.gz WVEHKHACIHFZEP-SECBINFHSA-N -1 0 315.413 -0.016 20 0 DBADRM CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)[C@H]1CCOC1)C(=O)[O-] ZINC000548550301 381538080 /nfs/dbraw/zinc/53/80/80/381538080.db2.gz UFHSIYYGDVEEPV-IUCAKERBSA-N -1 0 323.367 -0.120 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000548567941 381539054 /nfs/dbraw/zinc/53/90/54/381539054.db2.gz QSSUSZCFRGDZCR-SFYZADRCSA-N -1 0 313.397 -0.079 20 0 DBADRM CCCN(CC1CC1)S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000548570080 381539198 /nfs/dbraw/zinc/53/91/98/381539198.db2.gz CLTDWUCSUMEBQO-JTQLQIEISA-N -1 0 321.399 -0.339 20 0 DBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1cnc2n1CCC2 ZINC000548574241 381539265 /nfs/dbraw/zinc/53/92/65/381539265.db2.gz WHACWODMGTVLSA-QMMMGPOBSA-N -1 0 301.324 -0.697 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000548579561 381539583 /nfs/dbraw/zinc/53/95/83/381539583.db2.gz HXKNSGYMEQSVFQ-VIFPVBQESA-N -1 0 309.340 -0.555 20 0 DBADRM CCCS(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000548573005 381539765 /nfs/dbraw/zinc/53/97/65/381539765.db2.gz CWXUFSNDVWIAFK-UWVGGRQHSA-N -1 0 304.368 -0.266 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccccc1 ZINC000548584870 381540999 /nfs/dbraw/zinc/54/09/99/381540999.db2.gz QCJBREFTDVIPGR-JTQLQIEISA-N -1 0 319.360 -0.441 20 0 DBADRM C[C@H](C(F)(F)F)S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000548586102 381541441 /nfs/dbraw/zinc/54/14/41/381541441.db2.gz CYBWOGDYWGCPEM-QMTARQSYSA-N -1 0 323.314 -0.216 20 0 DBADRM C[C@@H]1CCCCN1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000548584671 381541670 /nfs/dbraw/zinc/54/16/70/381541670.db2.gz BJFDTGJAQGDWFJ-QVMDTKBZSA-N -1 0 324.424 -0.377 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000548587138 381541839 /nfs/dbraw/zinc/54/18/39/381541839.db2.gz VCHXQGKFQFLGFQ-NIVTXAMTSA-N -1 0 312.413 -0.664 20 0 DBADRM CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(N)=O ZINC000615107819 381543272 /nfs/dbraw/zinc/54/32/72/381543272.db2.gz JZLCTXSVRLLLDZ-MRVPVSSYSA-N -1 0 301.324 -0.967 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cccc2n[nH]nc21)C(=O)OC ZINC000615112947 381549753 /nfs/dbraw/zinc/54/97/53/381549753.db2.gz NOSQKCWLACFJBX-VIFPVBQESA-N -1 0 306.278 -0.208 20 0 DBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)CCCCF ZINC000548769778 381550022 /nfs/dbraw/zinc/55/00/22/381550022.db2.gz HTXQLOCUNWDJEZ-QPFGOUBPSA-N -1 0 301.361 -0.417 20 0 DBADRM CCCCN(C)S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000548256716 381521599 /nfs/dbraw/zinc/52/15/99/381521599.db2.gz GFYUANJUFISOIS-NIVTXAMTSA-N -1 0 312.413 -0.519 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCc1ccc(C(=O)[O-])o1 ZINC000548262770 381523612 /nfs/dbraw/zinc/52/36/12/381523612.db2.gz ZBRKQARMLTUOTC-UHFFFAOYSA-N -1 0 320.323 -0.193 20 0 DBADRM CN(CC(=O)NCCCc1n[nH]c(=O)[n-]1)C(=O)c1cccs1 ZINC000080974205 381551761 /nfs/dbraw/zinc/55/17/61/381551761.db2.gz RYFMREYBNKMPPC-UHFFFAOYSA-N -1 0 323.378 -0.020 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000548534277 381535262 /nfs/dbraw/zinc/53/52/62/381535262.db2.gz CUJORYZXJVKYQV-LURJTMIESA-N -1 0 308.262 -0.428 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1F)C(=O)[O-] ZINC000548535180 381535571 /nfs/dbraw/zinc/53/55/71/381535571.db2.gz MFILIURYDIXZMU-SECBINFHSA-N -1 0 322.289 -0.287 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000548530121 381536066 /nfs/dbraw/zinc/53/60/66/381536066.db2.gz QWCCNJJGZGNWIN-PSASIEDQSA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c[nH]1 ZINC000551314739 381581214 /nfs/dbraw/zinc/58/12/14/381581214.db2.gz GUDONFVNODXHTP-VIFPVBQESA-N -1 0 318.307 -0.725 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)C1CC1 ZINC000548867762 381553647 /nfs/dbraw/zinc/55/36/47/381553647.db2.gz VFDCIBXVKYLDGX-GZMMTYOYSA-N -1 0 322.383 -0.185 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCOCC(F)F)CC[C@H]1C(=O)[O-] ZINC000627275264 381613812 /nfs/dbraw/zinc/61/38/12/381613812.db2.gz GTTWZPNYPHQZAB-DTWKUNHWSA-N -1 0 322.308 -0.047 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)OC ZINC000627275654 381615819 /nfs/dbraw/zinc/61/58/19/381615819.db2.gz OGYRYXNJLBAXCV-VWYCJHECSA-N -1 0 316.354 -0.667 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000630868496 381623043 /nfs/dbraw/zinc/62/30/43/381623043.db2.gz OYQVARRAWZMSIS-VIFPVBQESA-N -1 0 310.383 -0.344 20 0 DBADRM COC[C@](C)(NC(=O)c1ccc(-n2cncn2)nc1)C(=O)[O-] ZINC000262288695 381625644 /nfs/dbraw/zinc/62/56/44/381625644.db2.gz VSFZJOIQXQXXIC-ZDUSSCGKSA-N -1 0 305.294 -0.118 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cn1nc2ccccn2c1=O ZINC000262381224 381625830 /nfs/dbraw/zinc/62/58/30/381625830.db2.gz YTOZRFJSZQEEOK-ZJUUUORDSA-N -1 0 304.306 -0.182 20 0 DBADRM O=C([O-])[C@H](CC1CC1)NC(=O)Cn1nc2ccccn2c1=O ZINC000262440178 381628013 /nfs/dbraw/zinc/62/80/13/381628013.db2.gz GRAHRNIDFDMSBO-JTQLQIEISA-N -1 0 304.306 -0.135 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)S(=O)(=O)N1CCOCC1 ZINC000566173782 381640139 /nfs/dbraw/zinc/64/01/39/381640139.db2.gz LUIJCCGITOSSPA-NSHDSACASA-N -1 0 322.383 -0.481 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)S(C)(=O)=O ZINC000230116268 284909316 /nfs/dbraw/zinc/90/93/16/284909316.db2.gz VTVIPJDFNVQLOQ-VHSXEESVSA-N -1 0 322.383 -0.594 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)C(=O)[O-] ZINC000566224816 381645149 /nfs/dbraw/zinc/64/51/49/381645149.db2.gz FFKKRPFOOSQZIK-CQSZACIVSA-N -1 0 321.289 -0.946 20 0 DBADRM COCCO[C@@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000566237947 381646322 /nfs/dbraw/zinc/64/63/22/381646322.db2.gz XJEHSAQBKTYXGZ-LLVKDONJSA-N -1 0 316.354 -0.379 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC000566887987 381673028 /nfs/dbraw/zinc/67/30/28/381673028.db2.gz QSYGTBGGMAYZET-PRHODGIISA-N -1 0 305.352 -0.078 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000567692599 381710039 /nfs/dbraw/zinc/71/00/39/381710039.db2.gz XZFLOCLMCHZEPA-WPRPVWTQSA-N -1 0 305.356 -0.110 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)N(C)CC2CC2)C1 ZINC000567687516 381710081 /nfs/dbraw/zinc/71/00/81/381710081.db2.gz PFTWBSLOHFKGQI-LBPRGKRZSA-N -1 0 306.384 -0.004 20 0 DBADRM COc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cn1 ZINC000567799197 381714040 /nfs/dbraw/zinc/71/40/40/381714040.db2.gz GBADHVKENBMJGI-VIFPVBQESA-N -1 0 302.308 -0.436 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cnn2c1OCCC2 ZINC000567045765 381678066 /nfs/dbraw/zinc/67/80/66/381678066.db2.gz BQLXSRYJNMOMPI-UHFFFAOYSA-N -1 0 319.339 -0.613 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCCO2)C[C@H]1C(=O)[O-] ZINC000567386974 381695394 /nfs/dbraw/zinc/69/53/94/381695394.db2.gz VHGXCTOKVNJVRM-OUAUKWLOSA-N -1 0 314.338 -0.913 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)CCOCC1CC1)[C@H]1CCOC1 ZINC000567581781 381702555 /nfs/dbraw/zinc/70/25/55/381702555.db2.gz PTYROKGFAHJRBJ-QWRGUYRKSA-N -1 0 307.368 -0.178 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000567612964 381704275 /nfs/dbraw/zinc/70/42/75/381704275.db2.gz GEKBFZYIRIEQJU-BDAKNGLRSA-N -1 0 311.290 -0.008 20 0 DBADRM COC(C)(C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000568002975 381728178 /nfs/dbraw/zinc/72/81/78/381728178.db2.gz SABPMRGMYKBFLB-SECBINFHSA-N -1 0 305.356 -0.110 20 0 DBADRM COC[C@@](C)(CC(=O)OC)NC(=O)c1cnc(C(=O)[O-])cn1 ZINC000567988093 381729405 /nfs/dbraw/zinc/72/94/05/381729405.db2.gz UWMPQNUGLCPZPC-CYBMUJFWSA-N -1 0 311.294 -0.127 20 0 DBADRM NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000568006882 381730548 /nfs/dbraw/zinc/73/05/48/381730548.db2.gz VGZCZJYPLMCMLG-LLVKDONJSA-N -1 0 312.347 -0.048 20 0 DBADRM CSc1[n-]c(=O)c(C(=O)N[C@H]2CC(=O)N(C)C2=O)cc1C#N ZINC000568218159 381745336 /nfs/dbraw/zinc/74/53/36/381745336.db2.gz IRJQDQMIGHQDAD-QMMMGPOBSA-N -1 0 320.330 -0.132 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)N[C@@H](COC)C(=O)[O-])cc1 ZINC000158601028 381746838 /nfs/dbraw/zinc/74/68/38/381746838.db2.gz ROSNTDOPOKGCSS-JTQLQIEISA-N -1 0 316.335 -0.576 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(C)c(C(N)=O)c1)C(=O)[O-] ZINC000158596776 381747925 /nfs/dbraw/zinc/74/79/25/381747925.db2.gz QLGMGVAQTIIICP-SNVBAGLBSA-N -1 0 316.335 -0.528 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NCCCCCCC(=O)[O-] ZINC000063142418 184273798 /nfs/dbraw/zinc/27/37/98/184273798.db2.gz ABFITTOGUWVTMR-UHFFFAOYSA-N -1 0 315.413 -0.015 20 0 DBADRM C[S@](=O)CCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000569114342 381787222 /nfs/dbraw/zinc/78/72/22/381787222.db2.gz HLMRZPZKGCXGBX-SFHVURJKSA-N -1 0 306.365 -0.173 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cc(F)ccc1F ZINC000572688866 381795540 /nfs/dbraw/zinc/79/55/40/381795540.db2.gz MGEWBXBOTNBYNF-UHFFFAOYSA-N -1 0 322.289 -0.166 20 0 DBADRM O=C([O-])[C@H](CF)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000568624125 381766099 /nfs/dbraw/zinc/76/60/99/381766099.db2.gz CQOFEYMHOZSRGO-CBAPKCEASA-N -1 0 307.303 -0.455 20 0 DBADRM CO[C@H](CNC(=O)c1ccc(-n2nnnc2C)cc1)C(=O)[O-] ZINC000568641994 381767988 /nfs/dbraw/zinc/76/79/88/381767988.db2.gz UZIPELHIPVLRCV-LLVKDONJSA-N -1 0 305.294 -0.200 20 0 DBADRM COCCN1CCCN(C(=O)CSCC(=O)[O-])CC1=O ZINC000568762015 381772178 /nfs/dbraw/zinc/77/21/78/381772178.db2.gz QZOSFZGOMNAKTM-UHFFFAOYSA-N -1 0 304.368 -0.489 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000573339981 381823838 /nfs/dbraw/zinc/82/38/38/381823838.db2.gz AUPRKJQHTBHKSF-VHSXEESVSA-N -1 0 322.383 -0.642 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000573339982 381824295 /nfs/dbraw/zinc/82/42/95/381824295.db2.gz AUPRKJQHTBHKSF-ZJUUUORDSA-N -1 0 322.383 -0.642 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)cn1 ZINC000573400143 381826977 /nfs/dbraw/zinc/82/69/77/381826977.db2.gz HHYJNECVBRJWFB-JQWIXIFHSA-N -1 0 315.351 -0.468 20 0 DBADRM Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)NCCCC(=O)[O-] ZINC000573609187 381835105 /nfs/dbraw/zinc/83/51/05/381835105.db2.gz WZCDUZZHSAZBHB-SNVBAGLBSA-N -1 0 308.338 -0.105 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)N[C@@]2(CO)CCOC2)s[n-]1 ZINC000573672451 381836076 /nfs/dbraw/zinc/83/60/76/381836076.db2.gz IDNWAXUHCVQTOC-WRWORJQWSA-N -1 0 302.356 -0.060 20 0 DBADRM COC(=O)c1c(F)cccc1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000573021953 381809316 /nfs/dbraw/zinc/80/93/16/381809316.db2.gz OVTHZLHPQQPHMQ-SSDOTTSWSA-N -1 0 321.282 -0.664 20 0 DBADRM CCOC[C@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-] ZINC000575102168 381884409 /nfs/dbraw/zinc/88/44/09/381884409.db2.gz TURRIFYDDRTEJT-QMMMGPOBSA-N -1 0 311.356 -0.405 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H](C)c1ccnn1C)[C@@H](C)C(=O)[O-] ZINC000573965984 381847202 /nfs/dbraw/zinc/84/72/02/381847202.db2.gz MQTNSNFUPGMISU-UWVGGRQHSA-N -1 0 310.354 -0.039 20 0 DBADRM Cc1c(C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)nnn1C ZINC000573982545 381847783 /nfs/dbraw/zinc/84/77/83/381847783.db2.gz QNGQYTLDFVKYCZ-MWLCHTKSSA-N -1 0 323.353 -0.437 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2ncccc2S(N)(=O)=O)C1 ZINC000574403573 381862543 /nfs/dbraw/zinc/86/25/43/381862543.db2.gz HDCDQDBYWQPROQ-LBPRGKRZSA-N -1 0 315.351 -0.344 20 0 DBADRM C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000574456829 381865685 /nfs/dbraw/zinc/86/56/85/381865685.db2.gz DKLVCXZMTOWZBI-VIFPVBQESA-N -1 0 312.347 -0.177 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)CSCC(=O)[O-] ZINC000576279120 381918076 /nfs/dbraw/zinc/91/80/76/381918076.db2.gz IASVQJYLQGCJGG-IUCAKERBSA-N -1 0 324.424 -0.362 20 0 DBADRM COCCCS(=O)(=O)NCCN1C[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000576353075 381919917 /nfs/dbraw/zinc/91/99/17/381919917.db2.gz PDSVWUZOJLDUKE-WDEREUQCSA-N -1 0 324.399 -0.884 20 0 DBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)CCC1CCC1 ZINC000576402606 381923623 /nfs/dbraw/zinc/92/36/23/381923623.db2.gz ILTZCWVWWMIIBN-LBPRGKRZSA-N -1 0 320.411 -0.119 20 0 DBADRM COc1cc(-c2noc(CN3CCOC[C@@H]3C(=O)[O-])n2)ncn1 ZINC000575322567 381890586 /nfs/dbraw/zinc/89/05/86/381890586.db2.gz MBPWDNKMTZNSIH-SECBINFHSA-N -1 0 321.293 -0.179 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000575312639 381890664 /nfs/dbraw/zinc/89/06/64/381890664.db2.gz ZIVWQHMLCUJDPZ-WPRPVWTQSA-N -1 0 324.337 -0.394 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000575312514 381891244 /nfs/dbraw/zinc/89/12/44/381891244.db2.gz UZXGQKYOKGNUAT-TUAOUCFPSA-N -1 0 322.365 -0.043 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000577510333 381964867 /nfs/dbraw/zinc/96/48/67/381964867.db2.gz VHQIWXQMRXGZKC-UHFFFAOYSA-N -1 0 313.397 -0.308 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCOCC23CCC3)cn1 ZINC000577725890 381969960 /nfs/dbraw/zinc/96/99/60/381969960.db2.gz BTQITKUBWWGPKN-UHFFFAOYSA-N -1 0 315.351 -0.089 20 0 DBADRM COC[C@@H](NC(=O)NCc1nnc2n1CCCCC2)C(=O)[O-] ZINC000580551573 381943662 /nfs/dbraw/zinc/94/36/62/381943662.db2.gz STXLTXRVQMHHQB-SECBINFHSA-N -1 0 311.342 -0.097 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)NCCCC(=O)[O-])[C@@H]1C ZINC000577730780 381972687 /nfs/dbraw/zinc/97/26/87/381972687.db2.gz WKOGHHJHQBKANU-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM C/C=C/C[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000577726867 381972712 /nfs/dbraw/zinc/97/27/12/381972712.db2.gz KZTWDWLDDRGUBW-NWALNABHSA-N -1 0 313.397 -0.240 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)[C@@H]2CCO[C@@H]2C)C(=O)[O-])c1 ZINC000577181105 381953020 /nfs/dbraw/zinc/95/30/20/381953020.db2.gz MGBWLHPGYCOLDG-OUAUKWLOSA-N -1 0 317.367 -0.258 20 0 DBADRM O=C([O-])C(=O)N1CCN(Cc2ncnn2CC(F)F)CC1 ZINC000578135179 381996946 /nfs/dbraw/zinc/99/69/46/381996946.db2.gz UPOXYUUDXGUMNF-UHFFFAOYSA-N -1 0 303.269 -0.728 20 0 DBADRM Cn1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)n1 ZINC000578320107 382009126 /nfs/dbraw/zinc/00/91/26/382009126.db2.gz ACIYRWDTYDALLV-UHFFFAOYSA-N -1 0 303.340 -0.326 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C[C@H]1CO ZINC000578348161 382012851 /nfs/dbraw/zinc/01/28/51/382012851.db2.gz PVOKHBTZBWWZJL-KZTGVZKYSA-N -1 0 324.377 -0.214 20 0 DBADRM CN(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1ncccn1 ZINC000349562169 381987628 /nfs/dbraw/zinc/98/76/28/381987628.db2.gz GFOBKDOLNWIYBO-UHFFFAOYSA-N -1 0 322.412 -0.110 20 0 DBADRM Cc1cc(C)nc([N-]S(=O)(=O)CCCS(N)(=O)=O)n1 ZINC000349449468 381988080 /nfs/dbraw/zinc/98/80/80/381988080.db2.gz KUKJEHNCDAIQFN-UHFFFAOYSA-N -1 0 308.385 -0.486 20 0 DBADRM Cc1n[nH]cc1NS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000349576216 381989510 /nfs/dbraw/zinc/98/95/10/381989510.db2.gz QZPFAYOSUSZZLT-UHFFFAOYSA-N -1 0 310.401 -0.259 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC000578070791 381989930 /nfs/dbraw/zinc/98/99/30/381989930.db2.gz JNXURMHGPRPQRV-LMLFDSFASA-N -1 0 307.368 -0.085 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC000578070790 381990043 /nfs/dbraw/zinc/99/00/43/381990043.db2.gz JNXURMHGPRPQRV-GWOFURMSSA-N -1 0 307.368 -0.085 20 0 DBADRM O=C([O-])CCC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000579473899 382069049 /nfs/dbraw/zinc/06/90/49/382069049.db2.gz RRQWQLCYYRLQEU-UHFFFAOYSA-N -1 0 310.310 -0.455 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000579119023 382049756 /nfs/dbraw/zinc/04/97/56/382049756.db2.gz NMFSTPMESLUKDJ-UHFFFAOYSA-N -1 0 320.348 -0.801 20 0 DBADRM CC(C)c1nc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cn1C ZINC000579331416 382060715 /nfs/dbraw/zinc/06/07/15/382060715.db2.gz DMWOBWSMEQTDNX-UHFFFAOYSA-N -1 0 315.355 -0.259 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@H]1CCCCO1)[C@@H]1CCOC1 ZINC000579424402 382067036 /nfs/dbraw/zinc/06/70/36/382067036.db2.gz KBPVPPQJLFZUTA-GMTAPVOTSA-N -1 0 307.368 -0.035 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(CO)CC2)C[C@@H]1C(=O)[O-] ZINC000578532115 382021852 /nfs/dbraw/zinc/02/18/52/382021852.db2.gz BAALQINNCUSPEA-JQWIXIFHSA-N -1 0 312.366 -0.214 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000578626343 382025435 /nfs/dbraw/zinc/02/54/35/382025435.db2.gz KGWUYTMAGUASEB-SNVBAGLBSA-N -1 0 306.384 -0.019 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000578654797 382028124 /nfs/dbraw/zinc/02/81/24/382028124.db2.gz HPJCQJLBPJNHSF-DTWKUNHWSA-N -1 0 312.326 -0.470 20 0 DBADRM C/C=C/C[C@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000578753462 382031819 /nfs/dbraw/zinc/03/18/19/382031819.db2.gz XELUKSFPMWCAQY-OHINUGQQSA-N -1 0 319.383 -0.261 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)s1 ZINC000578776061 382033997 /nfs/dbraw/zinc/03/39/97/382033997.db2.gz UFEOLGZNWQXWMU-FBCQKBJTSA-N -1 0 323.352 -0.786 20 0 DBADRM COc1cccc(CS(=O)(=O)N[C@H](CCO)C(=O)[O-])c1 ZINC000578830999 382036307 /nfs/dbraw/zinc/03/63/07/382036307.db2.gz UVNMDNLCWYTOOX-LLVKDONJSA-N -1 0 303.336 -0.050 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)CCC(F)(F)F)C(=O)[O-] ZINC000578897770 382041001 /nfs/dbraw/zinc/04/10/01/382041001.db2.gz FISFHZAOUVHVSG-RXMQYKEDSA-N -1 0 307.246 -0.126 20 0 DBADRM C[C@H]1CCN(C(=O)NCCS(=O)(=O)N(C)C)C[C@@H]1C(=O)[O-] ZINC000579948588 382102189 /nfs/dbraw/zinc/10/21/89/382102189.db2.gz NUAJYGWDFOPCSV-UWVGGRQHSA-N -1 0 321.399 -0.370 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC[C@@H]1O ZINC000579952644 382102228 /nfs/dbraw/zinc/10/22/28/382102228.db2.gz JARRPOUEPUXAEE-USZNOCQGSA-N -1 0 312.366 -0.215 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000579494961 382071822 /nfs/dbraw/zinc/07/18/22/382071822.db2.gz HRUNJUGMROLXPQ-VHSXEESVSA-N -1 0 309.384 -0.101 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])C[C@H](C)O1 ZINC000579597969 382078043 /nfs/dbraw/zinc/07/80/43/382078043.db2.gz LNXOLFLNZAEEGZ-UTINFBMNSA-N -1 0 324.337 -0.017 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCS1(=O)=O ZINC000579581361 382079028 /nfs/dbraw/zinc/07/90/28/382079028.db2.gz VSRXLLCAZKNGKJ-SECBINFHSA-N -1 0 313.335 -0.778 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000579587550 382079061 /nfs/dbraw/zinc/07/90/61/382079061.db2.gz QFPRYWFWZSJAAX-UHFFFAOYSA-N -1 0 315.413 -0.064 20 0 DBADRM CCN1CCO[C@@H](C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC000579597113 382079607 /nfs/dbraw/zinc/07/96/07/382079607.db2.gz YKOJNOYGRAAEDN-WDEREUQCSA-N -1 0 309.370 -0.063 20 0 DBADRM CC[C@@H](NC(=O)NC1CCN(S(=O)(=O)CC)CC1)C(=O)[O-] ZINC000579758834 382091320 /nfs/dbraw/zinc/09/13/20/382091320.db2.gz WWFRDPCAHLEBOM-SNVBAGLBSA-N -1 0 321.399 -0.037 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)Cc2ccon2)C(=O)[O-])c1 ZINC000579785771 382091406 /nfs/dbraw/zinc/09/14/06/382091406.db2.gz SZCBYFVGJHKHSF-SNVBAGLBSA-N -1 0 314.323 -0.248 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000581763944 382174633 /nfs/dbraw/zinc/17/46/33/382174633.db2.gz XHWYZJDUFNZTFF-JOYOIKCWSA-N -1 0 315.351 -0.170 20 0 DBADRM O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCc1nc(=O)o[n-]1 ZINC000581765913 382174833 /nfs/dbraw/zinc/17/48/33/382174833.db2.gz DAKJIDYRFVFMGQ-JTQLQIEISA-N -1 0 318.289 -0.189 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2C2CC2)CCS1(=O)=O ZINC000581809538 382176621 /nfs/dbraw/zinc/17/66/21/382176621.db2.gz MYMDEJIWAWWWDU-AEJSXWLSSA-N -1 0 302.352 -0.322 20 0 DBADRM Cc1nc(N2CCO[C@H](C(=O)[O-])C2)sc1S(N)(=O)=O ZINC000581886636 382180880 /nfs/dbraw/zinc/18/08/80/382180880.db2.gz MMKLKZZAKZUCGO-LURJTMIESA-N -1 0 307.353 -0.611 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000581129491 382131583 /nfs/dbraw/zinc/13/15/83/382131583.db2.gz WCJHBIZAMISGFP-VWYCJHECSA-N -1 0 322.383 -0.436 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1ccncn1)[C@H](C)C(=O)[O-] ZINC000581250524 382138149 /nfs/dbraw/zinc/13/81/49/382138149.db2.gz IXSRAOWDMYUHIQ-SNVBAGLBSA-N -1 0 308.338 -0.153 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000381062147 382142625 /nfs/dbraw/zinc/14/26/25/382142625.db2.gz NQHCNKKZFFWROE-WCABBAIRSA-N -1 0 310.372 -0.580 20 0 DBADRM O=C([O-])[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)ncn2)CCO1 ZINC000581669350 382168162 /nfs/dbraw/zinc/16/81/62/382168162.db2.gz OLJATQPAQQHDQV-MNOVXSKESA-N -1 0 308.338 -0.273 20 0 DBADRM COCCOCCS(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000581703827 382171195 /nfs/dbraw/zinc/17/11/95/382171195.db2.gz GBVMCQIHNTWPEG-ZJUUUORDSA-N -1 0 311.356 -0.847 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCC(O)(C(=O)[O-])CC1)C1CC1 ZINC000581724340 382173157 /nfs/dbraw/zinc/17/31/57/382173157.db2.gz YGVUCSGCMPYPAI-SNVBAGLBSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@H]1COCCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000615477735 382200781 /nfs/dbraw/zinc/20/07/81/382200781.db2.gz AUHGHOALUOESBI-QMMMGPOBSA-N -1 0 300.336 -0.100 20 0 DBADRM CCOC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CCO1 ZINC000627279819 382215262 /nfs/dbraw/zinc/21/52/62/382215262.db2.gz UYULPTVBMXXGHK-NXEZZACHSA-N -1 0 302.327 -0.913 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000627281189 382215666 /nfs/dbraw/zinc/21/56/66/382215666.db2.gz XZKKOMGBXLTWEM-KOLCDFICSA-N -1 0 323.353 -0.517 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000627281188 382215834 /nfs/dbraw/zinc/21/58/34/382215834.db2.gz XZKKOMGBXLTWEM-GXSJLCMTSA-N -1 0 323.353 -0.517 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000387321880 382218225 /nfs/dbraw/zinc/21/82/25/382218225.db2.gz SVFGBKBVTCXPEI-NWDGAFQWSA-N -1 0 311.382 -0.377 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000386515375 382192425 /nfs/dbraw/zinc/19/24/25/382192425.db2.gz WQSWJEZWFSCIRZ-UWVGGRQHSA-N -1 0 322.383 -0.748 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ccc[nH]c2=O)C1 ZINC000627285306 382246177 /nfs/dbraw/zinc/24/61/77/382246177.db2.gz YRHPQUHKWXZJBQ-GXSJLCMTSA-N -1 0 321.333 -0.027 20 0 DBADRM C[C@H]1SC[C@@H](C(=O)[O-])N1C(=O)N1CCS(=O)(=O)CC1 ZINC000111434075 382328817 /nfs/dbraw/zinc/32/88/17/382328817.db2.gz YZWJKKHEGQHKMQ-SFYZADRCSA-N -1 0 308.381 -0.315 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)cc1C(N)=O ZINC000089712844 382334689 /nfs/dbraw/zinc/33/46/89/382334689.db2.gz KQYFBJJXXCKYTR-QMMMGPOBSA-N -1 0 315.351 -0.391 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@H]2O)c1 ZINC000616115795 382335526 /nfs/dbraw/zinc/33/55/26/382335526.db2.gz ZBJWWVWNSMAATN-GZMMTYOYSA-N -1 0 314.363 -0.070 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000090262622 382335961 /nfs/dbraw/zinc/33/59/61/382335961.db2.gz SBAXVEUXMQLNCX-MRVPVSSYSA-N -1 0 303.292 -0.818 20 0 DBADRM C[C@H]1C[C@@H](O)CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000616145769 382338202 /nfs/dbraw/zinc/33/82/02/382338202.db2.gz MCTGWFXJTQABFN-DTWKUNHWSA-N -1 0 314.363 -0.118 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1C ZINC000091294057 382341082 /nfs/dbraw/zinc/34/10/82/382341082.db2.gz MSAGVFZLEXJGMI-VIFPVBQESA-N -1 0 303.340 -0.407 20 0 DBADRM CCn1cc(CNC(=O)c2ccc(S(=O)(=O)NC)o2)nn1 ZINC000618155622 382349073 /nfs/dbraw/zinc/34/90/73/382349073.db2.gz RUNFGLABVQPZGF-UHFFFAOYSA-N -1 0 313.339 -0.271 20 0 DBADRM Cc1c(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)cnn1C ZINC000402523835 382398192 /nfs/dbraw/zinc/39/81/92/382398192.db2.gz LZILFXQIYDJQJC-JTQLQIEISA-N -1 0 313.339 -0.434 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400116591 382389892 /nfs/dbraw/zinc/38/98/92/382389892.db2.gz IUGZJSIDEVCCRN-YIZRAAEISA-N -1 0 304.368 -0.507 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC000400285889 382391617 /nfs/dbraw/zinc/39/16/17/382391617.db2.gz UBIFOKCECPIXBB-SECBINFHSA-N -1 0 313.335 -0.457 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)NC2(C(=O)[O-])CCCC2)C1 ZINC000400301260 382391882 /nfs/dbraw/zinc/39/18/82/382391882.db2.gz PJUUOHBNFZMVHB-SECBINFHSA-N -1 0 319.383 -0.283 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000400236437 382392000 /nfs/dbraw/zinc/39/20/00/382392000.db2.gz DYMIYCIRVZJQCT-JTQLQIEISA-N -1 0 319.383 -0.474 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC000400285891 382392478 /nfs/dbraw/zinc/39/24/78/382392478.db2.gz UBIFOKCECPIXBB-VIFPVBQESA-N -1 0 313.335 -0.457 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2C[C@H](O)C2)c1 ZINC000620876277 382457595 /nfs/dbraw/zinc/45/75/95/382457595.db2.gz VBSZBUBPTHNUCR-KYZUINATSA-N -1 0 314.363 -0.104 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC000621602408 382492938 /nfs/dbraw/zinc/49/29/38/382492938.db2.gz RNPUGQLQNMMXEO-DTWKUNHWSA-N -1 0 307.393 -0.303 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)CCCOCc1ccccc1 ZINC000309963589 382483158 /nfs/dbraw/zinc/48/31/58/382483158.db2.gz BVWKPLAQAHVEDV-LBPRGKRZSA-N -1 0 317.363 -0.042 20 0 DBADRM NS(=O)(=O)CCNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000621538846 382489490 /nfs/dbraw/zinc/48/94/90/382489490.db2.gz OAUKDHGOUVDDTQ-UHFFFAOYSA-N -1 0 302.308 -0.832 20 0 DBADRM O=C([O-])[C@@H]1CCCCCN1C(=O)CN1CCCS1(=O)=O ZINC000621568035 382489607 /nfs/dbraw/zinc/48/96/07/382489607.db2.gz KHNRIPPXUQSKMK-JTQLQIEISA-N -1 0 304.368 -0.122 20 0 DBADRM O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1c[n-]n2c1nccc2=O ZINC000621900585 382521801 /nfs/dbraw/zinc/52/18/01/382521801.db2.gz ANLPAJKEWRGVQA-QMMMGPOBSA-N -1 0 301.306 -0.484 20 0 DBADRM CN(CC(=O)[O-])C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000621830573 382511092 /nfs/dbraw/zinc/51/10/92/382511092.db2.gz OREXREXELYDQHQ-UHFFFAOYSA-N -1 0 319.314 -0.301 20 0 DBADRM O=C([O-])C1CN(C(=O)NCCS(=O)(=O)NCC2CCC2)C1 ZINC000621830352 382511293 /nfs/dbraw/zinc/51/12/93/382511293.db2.gz FJFRDHSMMIDEAM-UHFFFAOYSA-N -1 0 319.383 -0.568 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H](CO)C1)C(=O)[O-] ZINC000621835518 382512173 /nfs/dbraw/zinc/51/21/73/382512173.db2.gz CHFKLHAMIWMMJN-SRVKXCTJSA-N -1 0 314.382 -0.064 20 0 DBADRM O=C([O-])C1CN(C(=O)NCc2cc(=O)n3ccccc3n2)C1 ZINC000621836230 382512888 /nfs/dbraw/zinc/51/28/88/382512888.db2.gz AONCMSHZGHWGHR-UHFFFAOYSA-N -1 0 302.290 -0.080 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C[C@@H]1CO ZINC000621835465 382512956 /nfs/dbraw/zinc/51/29/56/382512956.db2.gz AUVCRPFMPHZYDZ-WDEREUQCSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C(NCC1(N2CCOCC2)CCCCC1)c1n[nH]c(=O)[n-]1 ZINC000079609265 382539044 /nfs/dbraw/zinc/53/90/44/382539044.db2.gz HAOGREHXIQOAGX-UHFFFAOYSA-N -1 0 309.370 -0.137 20 0 DBADRM NC(=O)c1cn(CCCCNC(=O)c2cc(F)c[nH]c2=O)nn1 ZINC000622109244 382547347 /nfs/dbraw/zinc/54/73/47/382547347.db2.gz JZDNWVIRDSHYEZ-UHFFFAOYSA-N -1 0 322.300 -0.173 20 0 DBADRM CN(CC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1)S(C)(=O)=O ZINC000622609812 382572460 /nfs/dbraw/zinc/57/24/60/382572460.db2.gz ITNFZTQJJZSLCG-LLVKDONJSA-N -1 0 324.366 -0.703 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NC1(C(=O)[O-])CCCC1 ZINC000390361846 382590394 /nfs/dbraw/zinc/59/03/94/382590394.db2.gz RFEIAYPNSNEMCW-UHFFFAOYSA-N -1 0 307.372 -0.378 20 0 DBADRM Cc1ncc(S(=O)(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)n1C ZINC000624375955 382611201 /nfs/dbraw/zinc/61/12/01/382611201.db2.gz DCNITIOWJXMIIN-UHFFFAOYSA-N -1 0 312.355 -0.839 20 0 DBADRM O=C(NCC1(N2CCOCC2)CCOCC1)c1cc(=O)[nH]cn1 ZINC000627715177 382640166 /nfs/dbraw/zinc/64/01/66/382640166.db2.gz VDJYLNMVPVTPRD-UHFFFAOYSA-N -1 0 322.365 -0.207 20 0 DBADRM C[C@H]1CN(C(=O)NCCN2C(=O)CCC2=O)CC[C@@H]1C(=O)[O-] ZINC000405373356 382645526 /nfs/dbraw/zinc/64/55/26/382645526.db2.gz DRFKUYOZBWUVGE-UWVGGRQHSA-N -1 0 311.338 -0.112 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000631242906 382646626 /nfs/dbraw/zinc/64/66/26/382646626.db2.gz VUBQVXOCBXICPL-LLVKDONJSA-N -1 0 306.370 -0.007 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NC[C@H]2CNC(=O)C2)cc1 ZINC000631299912 382646713 /nfs/dbraw/zinc/64/67/13/382646713.db2.gz TYIYJEZKUYMPLI-LLVKDONJSA-N -1 0 302.338 -0.300 20 0 DBADRM O=C(NCC1CC1)[C@H]1CSCN1S(=O)(=O)c1ncc[n-]1 ZINC000631854263 382652238 /nfs/dbraw/zinc/65/22/38/382652238.db2.gz SZESKOAZHUNGJX-SECBINFHSA-N -1 0 316.408 -0.001 20 0 DBADRM CN(C)C(=O)CN1CCC(NS(=O)(=O)c2ncc[n-]2)CC1 ZINC000631935777 382656007 /nfs/dbraw/zinc/65/60/07/382656007.db2.gz LUSDUOJKZNZLDG-UHFFFAOYSA-N -1 0 315.399 -0.759 20 0 DBADRM CN(C)C(=O)CCN1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000632105366 382661535 /nfs/dbraw/zinc/66/15/35/382661535.db2.gz WACJOBNGWLRXAO-UHFFFAOYSA-N -1 0 315.399 -0.806 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000632192312 382663668 /nfs/dbraw/zinc/66/36/68/382663668.db2.gz ZLJOSKOSGVXGEM-GHMZBOCLSA-N -1 0 300.384 -0.371 20 0 DBADRM CC1(C)CN(C(=O)C2CC2)CCN1C(=O)CCc1nnn[n-]1 ZINC000632311426 382666911 /nfs/dbraw/zinc/66/69/11/382666911.db2.gz CSSULUHBLSXHTM-UHFFFAOYSA-N -1 0 306.370 -0.008 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)CCc2nnn[n-]2)C(C)(C)C1 ZINC000632319236 382667179 /nfs/dbraw/zinc/66/71/79/382667179.db2.gz SEFCWTMRCDVLAV-UHFFFAOYSA-N -1 0 309.374 -0.263 20 0 DBADRM O=S(=O)(c1cc([O-])cc(F)c1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000632461027 382671147 /nfs/dbraw/zinc/67/11/47/382671147.db2.gz JMEJGZOIUQFWRD-PRHODGIISA-N -1 0 305.327 -0.105 20 0 DBADRM COCCOCCN1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000632514434 382672375 /nfs/dbraw/zinc/67/23/75/382672375.db2.gz LZWXHHNVZQRWPE-UHFFFAOYSA-N -1 0 318.399 -0.621 20 0 DBADRM O=C1N(CCNS(=O)(=O)c2ncc[n-]2)C[C@@H]2CCCCN12 ZINC000632569455 382673789 /nfs/dbraw/zinc/67/37/89/382673789.db2.gz JKVVFGAPRAZLPK-JTQLQIEISA-N -1 0 313.383 -0.022 20 0 DBADRM O=C(N=c1nc(C2CCOCC2)[n-]s1)C1CS(=O)(=O)C1 ZINC000633689411 382688465 /nfs/dbraw/zinc/68/84/65/382688465.db2.gz MWLFQAKVOXRPPZ-UHFFFAOYSA-N -1 0 317.392 -0.163 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCCCO2)C1 ZINC000633064983 382680689 /nfs/dbraw/zinc/68/06/89/382680689.db2.gz VSCIVZRWFFOSDU-ZDUSSCGKSA-N -1 0 300.311 -0.510 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)[C@@H]2CCOC2)C1 ZINC000633065052 382680726 /nfs/dbraw/zinc/68/07/26/382680726.db2.gz XONRAYHACKUBIN-YGRLFVJLSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@H](O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000633063179 382680840 /nfs/dbraw/zinc/68/08/40/382680840.db2.gz FZQJGXMKZWHMJL-SRVKXCTJSA-N -1 0 312.366 -0.071 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](F)(CO)C2)C1 ZINC000633068411 382680889 /nfs/dbraw/zinc/68/08/89/382680889.db2.gz KYEVZEKQVMHFOB-ZANVPECISA-N -1 0 302.302 -0.758 20 0 DBADRM C[C@@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)C2 ZINC000633069943 382680905 /nfs/dbraw/zinc/68/09/05/382680905.db2.gz SHOOPXKPOJACRJ-FIXISWKDSA-N -1 0 310.350 -0.196 20 0 DBADRM CC1(F)CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000633070433 382680907 /nfs/dbraw/zinc/68/09/07/382680907.db2.gz KWRNVRXDLPFTNZ-SECBINFHSA-N -1 0 302.302 -0.351 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)C[C@H](C)OC)C1 ZINC000633073668 382681142 /nfs/dbraw/zinc/68/11/42/382681142.db2.gz XIWWDPDLYXJIQL-IINYFYTJSA-N -1 0 316.354 -0.571 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)C[C@@H](C)OC)C1 ZINC000633073670 382681279 /nfs/dbraw/zinc/68/12/79/382681279.db2.gz XIWWDPDLYXJIQL-QMTHXVAHSA-N -1 0 316.354 -0.571 20 0 DBADRM CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)NC ZINC000627694625 382639728 /nfs/dbraw/zinc/63/97/28/382639728.db2.gz XNHGDBZBPFMNLP-SECBINFHSA-N -1 0 314.367 -0.293 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000042701446 382695645 /nfs/dbraw/zinc/69/56/45/382695645.db2.gz BOXBYYXMTMHHSC-ZJUUUORDSA-N -1 0 306.384 -0.163 20 0 DBADRM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)[N-]OCC(N)=O)C2=O ZINC000271402700 296347427 /nfs/dbraw/zinc/34/74/27/296347427.db2.gz NAYUJIMEZISKSS-AMIZOPFISA-N -1 0 312.326 -0.980 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CSCN1C(=O)C1CCC1)C(=O)[O-] ZINC000449005453 533074474 /nfs/dbraw/zinc/07/44/74/533074474.db2.gz VMFMIVKMCIVWNS-VHSXEESVSA-N -1 0 316.379 -0.096 20 0 DBADRM C[C@@H](CNC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)[O-] ZINC000262482416 220435374 /nfs/dbraw/zinc/43/53/74/220435374.db2.gz DOVCNCXWQJCPCS-QMMMGPOBSA-N -1 0 300.336 -0.074 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC000447174620 533149153 /nfs/dbraw/zinc/14/91/53/533149153.db2.gz JWRGJKNGYQAHNW-JFGNBEQYSA-N -1 0 322.383 -0.738 20 0 DBADRM CCN1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])CC1=O ZINC000420573086 285290018 /nfs/dbraw/zinc/29/00/18/285290018.db2.gz HKPKWFZDSSJZEL-UHFFFAOYSA-N -1 0 313.354 -0.562 20 0 DBADRM CCN1CCN(CC(=O)N([C@H](C)C(=O)[O-])C2CC2)C(=O)C1=O ZINC000263569280 285312273 /nfs/dbraw/zinc/31/22/73/285312273.db2.gz ZFZVZLMJLRCFRB-SECBINFHSA-N -1 0 311.338 -0.859 20 0 DBADRM COC[C@@H](NC(=O)Cn1cnc2c(C)cccc2c1=O)C(=O)[O-] ZINC000448999198 533353444 /nfs/dbraw/zinc/35/34/44/533353444.db2.gz IDXKZGKUVPPZCF-LLVKDONJSA-N -1 0 319.317 -0.079 20 0 DBADRM COc1ccc(C(=O)NCC(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000447633712 533321572 /nfs/dbraw/zinc/32/15/72/533321572.db2.gz DYQHHQCBZAJVCT-UHFFFAOYSA-N -1 0 320.305 -0.540 20 0 DBADRM CS(=O)(=O)c1cccc(C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000447632284 533453962 /nfs/dbraw/zinc/45/39/62/533453962.db2.gz HFSSTWJFIKDLKO-UHFFFAOYSA-N -1 0 311.319 -0.261 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)[N-]CC(F)(F)F ZINC000195406252 533648688 /nfs/dbraw/zinc/64/86/88/533648688.db2.gz QTIUSIIVOGEDAC-LURJTMIESA-N -1 0 312.335 -0.204 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000271409427 129909008 /nfs/dbraw/zinc/90/90/08/129909008.db2.gz ODDHFYZVGKQIFK-ZCFIWIBFSA-N -1 0 313.232 -0.317 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000271954492 129984402 /nfs/dbraw/zinc/98/44/02/129984402.db2.gz KLCUPSSZBOQYRD-XCBNKYQSSA-N -1 0 309.322 -0.080 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000272228941 130011050 /nfs/dbraw/zinc/01/10/50/130011050.db2.gz LRJNAXBDTQAOAE-SECBINFHSA-N -1 0 301.368 -0.389 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CCO)COC)o1 ZINC000272535019 130038772 /nfs/dbraw/zinc/03/87/72/130038772.db2.gz UIPYQOYKLRNFKZ-LBPRGKRZSA-N -1 0 320.367 -0.295 20 0 DBADRM Cc1oc(C(=O)[N-]n2cn[nH]c2=O)cc1S(=O)(=O)N(C)C ZINC000272927982 130074696 /nfs/dbraw/zinc/07/46/96/130074696.db2.gz VASIMVKHNAFVSK-UHFFFAOYSA-N -1 0 315.311 -0.893 20 0 DBADRM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NC(CO)CO ZINC000273307868 130104984 /nfs/dbraw/zinc/10/49/84/130104984.db2.gz HDBWQIWHSWYGJP-UHFFFAOYSA-N -1 0 323.374 -0.455 20 0 DBADRM O=c1nc(CCNS(=O)(=O)c2c[nH]c3ncccc23)[n-]o1 ZINC000340045250 130139980 /nfs/dbraw/zinc/13/99/80/130139980.db2.gz LMXHGEOZWNBTSH-UHFFFAOYSA-N -1 0 309.307 -0.240 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](C(N)=O)C(C)(C)C)cc1C(=O)[O-] ZINC000273659803 130149781 /nfs/dbraw/zinc/14/97/81/130149781.db2.gz HXOAVXSDWUNSQW-SECBINFHSA-N -1 0 317.367 -0.098 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](C(N)=O)C(C)(C)C)cc1C(=O)[O-] ZINC000273659808 130150167 /nfs/dbraw/zinc/15/01/67/130150167.db2.gz HXOAVXSDWUNSQW-VIFPVBQESA-N -1 0 317.367 -0.098 20 0 DBADRM O=C([O-])C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000274211061 130217009 /nfs/dbraw/zinc/21/70/09/130217009.db2.gz WPXJZRFKBNZQNU-UHFFFAOYSA-N -1 0 305.334 -0.074 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1cccc2c1OCCO2 ZINC000274872072 130268643 /nfs/dbraw/zinc/26/86/43/130268643.db2.gz AWNVXXBXSIYIES-SSDOTTSWSA-N -1 0 303.292 -0.818 20 0 DBADRM CCN(C)C(=O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000274864819 130268822 /nfs/dbraw/zinc/26/88/22/130268822.db2.gz TXAKSQBDKMAONZ-UHFFFAOYSA-N -1 0 305.294 -0.356 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])ccc1C ZINC000274868449 130269305 /nfs/dbraw/zinc/26/93/05/130269305.db2.gz AELYFUDOLJOKNV-SNVBAGLBSA-N -1 0 317.319 -0.495 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-] ZINC000274881253 130269639 /nfs/dbraw/zinc/26/96/39/130269639.db2.gz CTVYGCHYTHCDEX-WPRPVWTQSA-N -1 0 303.340 -0.014 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])oc1C ZINC000274899504 130271507 /nfs/dbraw/zinc/27/15/07/130271507.db2.gz HVNUAWCMVOOPPY-SSDOTTSWSA-N -1 0 307.280 -0.902 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000274898414 130271833 /nfs/dbraw/zinc/27/18/33/130271833.db2.gz HOVODJDCGZRXBH-ZCFIWIBFSA-N -1 0 314.241 -0.176 20 0 DBADRM Cc1cccc(CS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000274901429 130272220 /nfs/dbraw/zinc/27/22/20/130272220.db2.gz IDHAAEIAYOSBTP-SNVBAGLBSA-N -1 0 300.336 -0.257 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000274908247 130273025 /nfs/dbraw/zinc/27/30/25/130273025.db2.gz JUXDTJFVJPRDLK-SNVBAGLBSA-N -1 0 301.320 -0.265 20 0 DBADRM CCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000274907453 130273405 /nfs/dbraw/zinc/27/34/05/130273405.db2.gz JQXNOGLKDNGQDG-JTQLQIEISA-N -1 0 316.335 -0.241 20 0 DBADRM C[C@@H]1Cc2cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])ccc2O1 ZINC000274935936 130274966 /nfs/dbraw/zinc/27/49/66/130274966.db2.gz PVXGBCNYEFOLEW-XCBNKYQSSA-N -1 0 301.320 -0.266 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])o1 ZINC000274994301 130280208 /nfs/dbraw/zinc/28/02/08/130280208.db2.gz ZONZIZKKIGXFJP-ZCFIWIBFSA-N -1 0 307.280 -0.820 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cs1 ZINC000274989535 130280864 /nfs/dbraw/zinc/28/08/64/130280864.db2.gz YWBXNTNKFZJFKO-SSDOTTSWSA-N -1 0 323.348 -0.351 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)s1 ZINC000275016938 130283496 /nfs/dbraw/zinc/28/34/96/130283496.db2.gz CSPWOCQLFKEANO-XRGYYRRGSA-N -1 0 323.348 -0.353 20 0 DBADRM CC(=O)Nc1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])ccc1F ZINC000275096214 130291770 /nfs/dbraw/zinc/29/17/70/130291770.db2.gz PVXPXONCULPAOS-JTQLQIEISA-N -1 0 320.298 -0.492 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)nc1 ZINC000275243153 130299548 /nfs/dbraw/zinc/29/95/48/130299548.db2.gz GTVDLDQDRJSQDB-SVRRBLITSA-N -1 0 306.727 -0.057 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275261083 130300991 /nfs/dbraw/zinc/30/09/91/130300991.db2.gz MDVSZUMXFLTYOV-VIFPVBQESA-N -1 0 313.339 -0.574 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(CCO)CC(=O)[O-])oc1C ZINC000275289978 130303378 /nfs/dbraw/zinc/30/33/78/130303378.db2.gz LYTRRRHVVQWBHT-UHFFFAOYSA-N -1 0 321.307 -0.558 20 0 DBADRM C[C@H]1Cc2cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])ccc2O1 ZINC000275317088 130304007 /nfs/dbraw/zinc/30/40/07/130304007.db2.gz RXXYPLLXKCKJPP-XVKPBYJWSA-N -1 0 301.320 -0.266 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@H](CCC(=O)OC)C(=O)[O-] ZINC000275312602 130304430 /nfs/dbraw/zinc/30/44/30/130304430.db2.gz RMPKCMKCSQPFGR-MRVPVSSYSA-N -1 0 319.339 -0.412 20 0 DBADRM COC(=O)c1csc(S(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000275341074 130306251 /nfs/dbraw/zinc/30/62/51/130306251.db2.gz RQSXXQNFJKGCFN-UHFFFAOYSA-N -1 0 323.348 -0.398 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])s1 ZINC000275366185 130309062 /nfs/dbraw/zinc/30/90/62/130309062.db2.gz VQSPPBDLAGCBOY-UHFFFAOYSA-N -1 0 323.348 -0.398 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCC(=O)N2CCOCC2)C1 ZINC000328265947 391925719 /nfs/dbraw/zinc/92/57/19/391925719.db2.gz UATAJKSFGVTMPH-MNOVXSKESA-N -1 0 313.354 -0.212 20 0 DBADRM CN(C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000328431911 391927352 /nfs/dbraw/zinc/92/73/52/391927352.db2.gz OPECRHAVDVRILB-KXUCPTDWSA-N -1 0 318.395 -0.165 20 0 DBADRM CCC[C@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)c1nnn[n-]1 ZINC000648815425 391983795 /nfs/dbraw/zinc/98/37/95/391983795.db2.gz QFVPDNMILODDTF-YUMQZZPRSA-N -1 0 302.360 -0.809 20 0 DBADRM CC[C@](C)(NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400140673 391986950 /nfs/dbraw/zinc/98/69/50/391986950.db2.gz WMPDHMZZKDXHTI-SKDRFNHKSA-N -1 0 321.399 -0.037 20 0 DBADRM CC(C)[C@](C)(O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000312497957 391974786 /nfs/dbraw/zinc/97/47/86/391974786.db2.gz KZXYHVZDAHFSQV-LLVKDONJSA-N -1 0 305.356 -0.347 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000649454760 392072944 /nfs/dbraw/zinc/07/29/44/392072944.db2.gz QUXKQXDRXKVXBS-UTUOFQBUSA-N -1 0 310.350 -0.053 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@H](C(=O)[O-])C(C)C)CCN2C1=O ZINC000649458546 392073075 /nfs/dbraw/zinc/07/30/75/392073075.db2.gz TWNIOLHHFKDZSR-VHSXEESVSA-N -1 0 311.338 -0.162 20 0 DBADRM COCCCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000649459194 392073459 /nfs/dbraw/zinc/07/34/59/392073459.db2.gz NWXWQZWACBHEEB-HBNTYKKESA-N -1 0 319.379 -0.241 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000649242337 392022776 /nfs/dbraw/zinc/02/27/76/392022776.db2.gz GSOSOJIRCKVPNC-UHFFFAOYSA-N -1 0 310.354 -0.002 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2)S1(=O)=O ZINC000649243919 392022933 /nfs/dbraw/zinc/02/29/33/392022933.db2.gz DXERYPLNGKCCCS-MNOVXSKESA-N -1 0 312.347 -0.038 20 0 DBADRM C[C@H](CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)C1CC1)C(=O)[O-] ZINC000649247423 392023049 /nfs/dbraw/zinc/02/30/49/392023049.db2.gz SCFKTOQHVSTTQZ-SCZZXKLOSA-N -1 0 304.368 -0.268 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)S1(=O)=O ZINC000649243921 392023087 /nfs/dbraw/zinc/02/30/87/392023087.db2.gz DXERYPLNGKCCCS-WDEREUQCSA-N -1 0 312.347 -0.038 20 0 DBADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000649250232 392023378 /nfs/dbraw/zinc/02/33/78/392023378.db2.gz VFCNWAVTYZTVGF-GWCFXTLKSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@H](CN(C(=O)[C@H]1CCN(C)S1(=O)=O)C1CC1)C(=O)[O-] ZINC000649247422 392023440 /nfs/dbraw/zinc/02/34/40/392023440.db2.gz SCFKTOQHVSTTQZ-PSASIEDQSA-N -1 0 304.368 -0.268 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000649246648 392023503 /nfs/dbraw/zinc/02/35/03/392023503.db2.gz UAAHHSKRHXNGEQ-KWQFWETISA-N -1 0 308.356 -0.984 20 0 DBADRM C[C@@H](CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)C1CC1)C(=O)[O-] ZINC000649247425 392023511 /nfs/dbraw/zinc/02/35/11/392023511.db2.gz SCFKTOQHVSTTQZ-WPRPVWTQSA-N -1 0 304.368 -0.268 20 0 DBADRM C[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)C[C@@]1(C)C(=O)[O-] ZINC000649402703 392064427 /nfs/dbraw/zinc/06/44/27/392064427.db2.gz TVUJJRBYPPHQMN-NXSYQRQQSA-N -1 0 321.337 -0.080 20 0 DBADRM Cn1c(NCC2(C(=O)[O-])CCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000649402034 392065022 /nfs/dbraw/zinc/06/50/22/392065022.db2.gz GPSZGXKCIJOWGO-UHFFFAOYSA-N -1 0 321.337 -0.149 20 0 DBADRM C[C@@](O)(CNc1cc(N2CCC[C@H](CO)C2)ncn1)C(=O)[O-] ZINC000649402851 392065867 /nfs/dbraw/zinc/06/58/67/392065867.db2.gz WFDZBPIXTQRTPB-IINYFYTJSA-N -1 0 310.354 -0.067 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000554605419 392099701 /nfs/dbraw/zinc/09/97/01/392099701.db2.gz OAUIOKFXWYFKNI-UHFFFAOYSA-N -1 0 322.383 -0.446 20 0 DBADRM NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ncc[n-]2)cc1 ZINC000383816463 392117855 /nfs/dbraw/zinc/11/78/55/392117855.db2.gz GKHOIDPMTXDZIO-UHFFFAOYSA-N -1 0 316.364 -0.464 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c(F)c1 ZINC000275153651 392123020 /nfs/dbraw/zinc/12/30/20/392123020.db2.gz ZAUWLYFIFZHBHB-MRVPVSSYSA-N -1 0 304.299 -0.259 20 0 DBADRM CC(=O)Nc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1 ZINC000275221721 392123029 /nfs/dbraw/zinc/12/30/29/392123029.db2.gz DMNCDLGEXDPRMJ-UHFFFAOYSA-N -1 0 316.335 -0.287 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C(=O)[O-] ZINC000581370489 392130052 /nfs/dbraw/zinc/13/00/52/392130052.db2.gz XCTRXTZWWBTXQW-GUBZILKMSA-N -1 0 317.367 -0.020 20 0 DBADRM COCCOc1cc(C(=O)NCCc2nc(=O)o[n-]2)ccn1 ZINC000280254814 130792312 /nfs/dbraw/zinc/79/23/12/130792312.db2.gz ZQTBLHZIGDORGQ-UHFFFAOYSA-N -1 0 308.294 -0.244 20 0 DBADRM COC(=O)C1(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CC1 ZINC000281768465 130884452 /nfs/dbraw/zinc/88/44/52/130884452.db2.gz IACMAMXEKSIAEO-UHFFFAOYSA-N -1 0 303.278 -0.153 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)cc1C(=O)[O-] ZINC000035230181 392355871 /nfs/dbraw/zinc/35/58/71/392355871.db2.gz JXEXCRBZEGPYDG-SECBINFHSA-N -1 0 315.351 -0.248 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-])c1 ZINC000284964592 131126485 /nfs/dbraw/zinc/12/64/85/131126485.db2.gz FBLDMAUSTIUNBU-QMMMGPOBSA-N -1 0 305.356 -0.033 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CCNC(=O)N2CCSCC2)C1 ZINC000285072795 131136128 /nfs/dbraw/zinc/13/61/28/131136128.db2.gz KRFWSVBKRVODRK-VIFPVBQESA-N -1 0 301.368 -0.322 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)[O-] ZINC000285070214 131136237 /nfs/dbraw/zinc/13/62/37/131136237.db2.gz KPNJUUMDVUJQQN-VIFPVBQESA-N -1 0 303.340 -0.171 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000036906856 392369118 /nfs/dbraw/zinc/36/91/18/392369118.db2.gz HHWPTBNVNPKHPX-QMMMGPOBSA-N -1 0 303.292 -0.818 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000367480562 392370303 /nfs/dbraw/zinc/37/03/03/392370303.db2.gz LOETWQOLBICJDB-SECBINFHSA-N -1 0 323.367 -0.309 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000037374711 392373844 /nfs/dbraw/zinc/37/38/44/392373844.db2.gz LZVMRYQRGOQDIU-QMMMGPOBSA-N -1 0 322.289 -0.038 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1F ZINC000037462755 392373944 /nfs/dbraw/zinc/37/39/44/392373944.db2.gz BSVPFAIUCFQWMG-QMMMGPOBSA-N -1 0 320.298 -0.559 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cnc(OCC2CC2)cn1 ZINC000287179228 131267218 /nfs/dbraw/zinc/26/72/18/131267218.db2.gz SQFLCDJVCACGBQ-UHFFFAOYSA-N -1 0 305.294 -0.086 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-] ZINC000033455878 392411741 /nfs/dbraw/zinc/41/17/41/392411741.db2.gz OISFNSDUMNWWGW-ZANVPECISA-N -1 0 315.370 -0.366 20 0 DBADRM CN(C[C@@H](O)Cc1ccccc1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000647095634 392415184 /nfs/dbraw/zinc/41/51/84/392415184.db2.gz KGMCRJTVWIFKMQ-JTQLQIEISA-N -1 0 304.306 -0.042 20 0 DBADRM CN1C(=O)c2ccc(S(=O)(=O)NCCC(=O)[O-])cc2C1=O ZINC000035685701 392416543 /nfs/dbraw/zinc/41/65/43/392416543.db2.gz IJVAUTCXHJGAJP-UHFFFAOYSA-N -1 0 312.303 -0.335 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)CCCN2CCCC2=O)[n-]1 ZINC000556794326 392427523 /nfs/dbraw/zinc/42/75/23/392427523.db2.gz SAYZTOLZXTZYLK-UHFFFAOYSA-N -1 0 315.351 -0.018 20 0 DBADRM O=c1[n-]c(S(=O)(=O)Cc2nnnn2Cc2ccccc2)n[nH]1 ZINC000556793905 392427529 /nfs/dbraw/zinc/42/75/29/392427529.db2.gz BNFINBJDQRFJJP-UHFFFAOYSA-N -1 0 321.322 -0.481 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-]c1ccn(CC(N)=O)n1)C(C)C ZINC000647125232 392430689 /nfs/dbraw/zinc/43/06/89/392430689.db2.gz HKWFIEMSKAEUKO-SECBINFHSA-N -1 0 304.372 -0.219 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCCC1)c1nc2n(n1)CCCN2 ZINC000643707860 392455740 /nfs/dbraw/zinc/45/57/40/392455740.db2.gz HRFWLZOOXMGTRE-UHFFFAOYSA-N -1 0 303.330 -0.936 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C1=O ZINC000559260542 392481162 /nfs/dbraw/zinc/48/11/62/392481162.db2.gz LNCQZXGKBKVTLV-SECBINFHSA-N -1 0 317.305 -0.712 20 0 DBADRM Cc1cnc2nc(C(=O)NC3(C(=O)[O-])CCOCC3)nn2c1 ZINC000569624636 392540868 /nfs/dbraw/zinc/54/08/68/392540868.db2.gz ZFFQKROGRCCYCL-UHFFFAOYSA-N -1 0 305.294 -0.204 20 0 DBADRM C[C@H](NC(=O)c1c[n-]n2c1nccc2=O)[C@H](C)N1CCOCC1 ZINC000559278801 392482387 /nfs/dbraw/zinc/48/23/87/392482387.db2.gz LKRNHFZXXZKVAT-QWRGUYRKSA-N -1 0 319.365 -0.138 20 0 DBADRM C[C@H]([C@H](C)NC(=O)c1c[n-]n2c1nccc2=O)N1CCOCC1 ZINC000559278804 392482910 /nfs/dbraw/zinc/48/29/10/392482910.db2.gz LKRNHFZXXZKVAT-WDEREUQCSA-N -1 0 319.365 -0.138 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc1OC ZINC000040699297 392483260 /nfs/dbraw/zinc/48/32/60/392483260.db2.gz KKSDGFCFSNXNRA-SECBINFHSA-N -1 0 319.335 -0.182 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)co1 ZINC000647219462 392484043 /nfs/dbraw/zinc/48/40/43/392484043.db2.gz DYZHFWHDOBXKHC-QMMMGPOBSA-N -1 0 318.307 -0.887 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000278548695 392484580 /nfs/dbraw/zinc/48/45/80/392484580.db2.gz AHVHCPSXYFKOTK-BDAKNGLRSA-N -1 0 303.340 -0.111 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)NC3=O)CCO1 ZINC000647219756 392484796 /nfs/dbraw/zinc/48/47/96/392484796.db2.gz VTEZLKSGORNTLL-SNVBAGLBSA-N -1 0 304.258 -0.504 20 0 DBADRM CC(C)CN1N=C(C(=O)NCCc2nc(=O)o[n-]2)CCC1=O ZINC000363774740 392499174 /nfs/dbraw/zinc/49/91/74/392499174.db2.gz HJOCHROJODUYDV-UHFFFAOYSA-N -1 0 309.326 -0.344 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000370853729 392507120 /nfs/dbraw/zinc/50/71/20/392507120.db2.gz UPYXZZUILNDUDY-MRVPVSSYSA-N -1 0 312.330 -0.376 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000559922632 392513149 /nfs/dbraw/zinc/51/31/49/392513149.db2.gz UUAVDGVERQRTSI-SECBINFHSA-N -1 0 303.340 -0.062 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)c1ccnc2c(C(N)=O)cnn21)C1CC1 ZINC000647249557 392513297 /nfs/dbraw/zinc/51/32/97/392513297.db2.gz CLJMMNLPSIQWPU-ZETCQYMHSA-N -1 0 317.305 -0.094 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000427716677 392552912 /nfs/dbraw/zinc/55/29/12/392552912.db2.gz AAAKEPXIJFXTML-ZETCQYMHSA-N -1 0 320.305 -0.775 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000168815190 392570739 /nfs/dbraw/zinc/57/07/39/392570739.db2.gz TXOWRKICZCWEAW-MRVPVSSYSA-N -1 0 319.339 -0.587 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000643849149 392574202 /nfs/dbraw/zinc/57/42/02/392574202.db2.gz UWCXQSWFNUBSPA-SKDRFNHKSA-N -1 0 305.352 -0.487 20 0 DBADRM CCC(=O)N1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC000363629530 392582068 /nfs/dbraw/zinc/58/20/68/392582068.db2.gz AUKJBQDAHLCVGG-JTQLQIEISA-N -1 0 310.354 -0.555 20 0 DBADRM CCc1cc(=O)[nH]c(CN2Cc3nncn3C[C@@H]2C(=O)[O-])n1 ZINC000643880737 392582786 /nfs/dbraw/zinc/58/27/86/392582786.db2.gz WAMICVBZQRBKGI-SECBINFHSA-N -1 0 304.310 -0.195 20 0 DBADRM CC(=O)N1CCN(C(=O)CCNc2ccc(C(=O)[O-])cn2)CC1 ZINC000647449784 392590107 /nfs/dbraw/zinc/59/01/07/392590107.db2.gz RGAUPSFZTDBMTM-UHFFFAOYSA-N -1 0 320.349 -0.306 20 0 DBADRM COC[C@@H](O)CCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000647481335 392591858 /nfs/dbraw/zinc/59/18/58/392591858.db2.gz MMDCFOVCOSMUDO-NSHDSACASA-N -1 0 310.306 -0.163 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000647484203 392594667 /nfs/dbraw/zinc/59/46/67/392594667.db2.gz ZBEIPSBJRLCIHV-UHFFFAOYSA-N -1 0 321.289 -0.063 20 0 DBADRM COC(=O)c1cc(F)ccc1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000274880508 292001851 /nfs/dbraw/zinc/00/18/51/292001851.db2.gz CRLUEWDUERFIOL-QMMMGPOBSA-N -1 0 321.282 -0.664 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)NC)cc1)C(=O)[O-] ZINC000647487197 392596743 /nfs/dbraw/zinc/59/67/43/392596743.db2.gz HTVWAVLCPBQVIV-LLVKDONJSA-N -1 0 321.333 -0.107 20 0 DBADRM CC[C@H](NC(=O)C(=O)N=c1ccn(CCCOC)[nH]1)C(=O)[O-] ZINC000647488590 392596873 /nfs/dbraw/zinc/59/68/73/392596873.db2.gz FOCPOKQGEXPSNY-VIFPVBQESA-N -1 0 312.326 -0.741 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000647487587 392596883 /nfs/dbraw/zinc/59/68/83/392596883.db2.gz NWBDBIUMJWTSMF-VXGBXAGGSA-N -1 0 322.317 -0.218 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)NC2(C(=O)[O-])CCC2)C1 ZINC000164853015 392601319 /nfs/dbraw/zinc/60/13/19/392601319.db2.gz PLBHNVNFNHAKMU-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C[C@@H]1CCOC1 ZINC000643972045 392603030 /nfs/dbraw/zinc/60/30/30/392603030.db2.gz JDYRLCMNGFPAJC-ZYHUDNBSSA-N -1 0 307.368 -0.082 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@](O)(CC(=O)N(C)C)C2)c1[O-] ZINC000644025551 392609686 /nfs/dbraw/zinc/60/96/86/392609686.db2.gz AXXOKVNTMRBIEO-CQSZACIVSA-N -1 0 310.354 -0.131 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc3cn[nH]c32)CCS1(=O)=O ZINC000424238287 392665510 /nfs/dbraw/zinc/66/55/10/392665510.db2.gz IINUWCNOLVQPQV-JTQLQIEISA-N -1 0 323.330 -0.113 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccccn1 ZINC000424243887 392666768 /nfs/dbraw/zinc/66/67/68/392666768.db2.gz NPJPLLAAFQJOPM-KOLCDFICSA-N -1 0 312.347 -0.105 20 0 DBADRM COCCC1(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCC1 ZINC000424255660 392667038 /nfs/dbraw/zinc/66/70/38/392667038.db2.gz LZLXNKFHBAOYNF-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccccn1 ZINC000424243889 392667264 /nfs/dbraw/zinc/66/72/64/392667264.db2.gz NPJPLLAAFQJOPM-MWLCHTKSSA-N -1 0 312.347 -0.105 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cnn3ncccc23)CCS1(=O)=O ZINC000424254056 392667355 /nfs/dbraw/zinc/66/73/55/392667355.db2.gz YAOUPBWFOJYFSO-JTQLQIEISA-N -1 0 324.318 -0.947 20 0 DBADRM CC(C)(C)CS(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424366054 392668536 /nfs/dbraw/zinc/66/85/36/392668536.db2.gz IHRGARHLQDPKPO-MRVPVSSYSA-N -1 0 313.397 -0.454 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccoc2)CCS1(=O)=O ZINC000424364366 392668806 /nfs/dbraw/zinc/66/88/06/392668806.db2.gz DHRXJYMMLAGGJD-QMMMGPOBSA-N -1 0 309.321 -0.848 20 0 DBADRM COC1CCN(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000424374148 392669088 /nfs/dbraw/zinc/66/90/88/392669088.db2.gz YQUBDYCECJBLBO-JTQLQIEISA-N -1 0 320.367 -0.599 20 0 DBADRM C[C@@H]1CC[C@@H](CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)O1 ZINC000424400035 392670167 /nfs/dbraw/zinc/67/01/67/392670167.db2.gz SKLQGCRAZJRTDD-KXUCPTDWSA-N -1 0 320.367 -0.553 20 0 DBADRM O=C([O-])[C@H]1CN(c2nccnc2OC(F)F)CCS1(=O)=O ZINC000424474980 392670270 /nfs/dbraw/zinc/67/02/70/392670270.db2.gz SHNDMBJYMPATDL-ZCFIWIBFSA-N -1 0 323.277 -0.234 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCOCC2CC2)CCS1(=O)=O ZINC000424405684 392670345 /nfs/dbraw/zinc/67/03/45/392670345.db2.gz IIEMRYLUMKEDFV-SNVBAGLBSA-N -1 0 320.367 -0.694 20 0 DBADRM CC(C)Oc1nccnc1N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424478774 392670599 /nfs/dbraw/zinc/67/05/99/392670599.db2.gz XHKVDMQSBHRBBE-SECBINFHSA-N -1 0 315.351 -0.048 20 0 DBADRM Cc1nn(C)c2nccc(N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)c12 ZINC000424468105 392671799 /nfs/dbraw/zinc/67/17/99/392671799.db2.gz IRHULNYHTJFIEJ-SNVBAGLBSA-N -1 0 324.362 -0.035 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NC[C@@H]1CCCNC1=O)C(=O)[O-] ZINC000644202691 392694926 /nfs/dbraw/zinc/69/49/26/392694926.db2.gz NTNCTFHCEFFTNF-VIFPVBQESA-N -1 0 313.354 -0.754 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000647503739 392620887 /nfs/dbraw/zinc/62/08/87/392620887.db2.gz GGMJJGNPAODTBQ-KXNHARMFSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000647503741 392620905 /nfs/dbraw/zinc/62/09/05/392620905.db2.gz GGMJJGNPAODTBQ-WRWGMCAJSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCc3c[nH]nc3C2)C[C@@H]1C(=O)[O-] ZINC000647504308 392622702 /nfs/dbraw/zinc/62/27/02/392622702.db2.gz QEHZJYMADBFSEP-ONGXEEELSA-N -1 0 320.349 -0.136 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647504783 392623352 /nfs/dbraw/zinc/62/33/52/392623352.db2.gz PQVHQDKIUAXTAH-UHFFFAOYSA-N -1 0 300.355 -0.069 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)CCOCCO)C[C@H]1C(=O)[O-] ZINC000647505257 392625033 /nfs/dbraw/zinc/62/50/33/392625033.db2.gz NMMLCCGMHFIJSG-WDEREUQCSA-N -1 0 316.354 -0.977 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647509211 392627515 /nfs/dbraw/zinc/62/75/15/392627515.db2.gz UYLMGGCXSNPXOF-LLVKDONJSA-N -1 0 312.366 -0.071 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NCCn2ccnc2)CC1 ZINC000647578150 392648162 /nfs/dbraw/zinc/64/81/62/392648162.db2.gz ABURHJRISXWVDY-UHFFFAOYSA-N -1 0 308.338 -0.287 20 0 DBADRM C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1cnn(C)c1 ZINC000647583846 392648243 /nfs/dbraw/zinc/64/82/43/392648243.db2.gz HYJAMDHSIWDCDF-WCABBAIRSA-N -1 0 308.338 -0.033 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1=O ZINC000647582596 392648305 /nfs/dbraw/zinc/64/83/05/392648305.db2.gz JWWSMXRZACIUQY-SECBINFHSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)CC(F)F ZINC000647589824 392649243 /nfs/dbraw/zinc/64/92/43/392649243.db2.gz DBCKASVCGVKRMO-JGVFFNPUSA-N -1 0 308.281 -0.294 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)CC(F)F ZINC000647589825 392649457 /nfs/dbraw/zinc/64/94/57/392649457.db2.gz DBCKASVCGVKRMO-SFYZADRCSA-N -1 0 308.281 -0.294 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000647589093 392649484 /nfs/dbraw/zinc/64/94/84/392649484.db2.gz XBNPLMFBADZZKM-JGPRNRPPSA-N -1 0 310.350 -0.101 20 0 DBADRM CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000647589859 392649588 /nfs/dbraw/zinc/64/95/88/392649588.db2.gz IDPPSZKJGBLEMI-SNVBAGLBSA-N -1 0 313.354 -0.515 20 0 DBADRM C[C@H]1[C@@H](CO)CCCN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647593475 392650708 /nfs/dbraw/zinc/65/07/08/392650708.db2.gz RBHXHEMQNXHVDD-NNYUYHANSA-N -1 0 312.366 -0.025 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000647591671 392651136 /nfs/dbraw/zinc/65/11/36/392651136.db2.gz GTGWDMKNDKIVCH-ZJUUUORDSA-N -1 0 323.349 -0.811 20 0 DBADRM COCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cncn2C)C1 ZINC000647625432 392656067 /nfs/dbraw/zinc/65/60/67/392656067.db2.gz JWOXIZLTOVPKQO-UWVGGRQHSA-N -1 0 317.367 -0.504 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)CCC[C@@H]2CCOC2)CCO1 ZINC000647639490 392660605 /nfs/dbraw/zinc/66/06/05/392660605.db2.gz AFDPFUADWCMRJX-MNOVXSKESA-N -1 0 307.368 -0.082 20 0 DBADRM Cc1c(S(=O)(=O)N(C)CC(=O)[O-])coc1C(=O)N(C)C ZINC000647639202 392662369 /nfs/dbraw/zinc/66/23/69/392662369.db2.gz MQXMZVRDRCHBAO-UHFFFAOYSA-N -1 0 304.324 -0.005 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCc1cn(C)nn1)C(=O)[O-] ZINC000644202032 392692996 /nfs/dbraw/zinc/69/29/96/392692996.db2.gz SJIAXPZMZQQNAO-SECBINFHSA-N -1 0 311.342 -0.706 20 0 DBADRM CCC[C@H](NC(=O)[C@@H]1Cn2c(C)nnc2CN1C)c1nnn[n-]1 ZINC000644383695 392736450 /nfs/dbraw/zinc/73/64/50/392736450.db2.gz KJDAWFORAXRATM-UWVGGRQHSA-N -1 0 319.373 -0.429 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCO[C@@H]4C[C@@H]43)cc-2c(=O)[n-]1 ZINC000644282015 392711580 /nfs/dbraw/zinc/71/15/80/392711580.db2.gz KTNIUAXVQHZHJO-DTWKUNHWSA-N -1 0 324.318 -0.402 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC000644572769 392778671 /nfs/dbraw/zinc/77/86/71/392778671.db2.gz KEUBDQMKSQFWHG-UHFFFAOYSA-N -1 0 314.367 -0.292 20 0 DBADRM C[C@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C[C@H]1C(=O)[O-] ZINC000647752357 392841450 /nfs/dbraw/zinc/84/14/50/392841450.db2.gz FVKWASKDPUAKBH-VHSXEESVSA-N -1 0 323.353 -0.451 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000364419505 392810001 /nfs/dbraw/zinc/81/00/01/392810001.db2.gz QKVUARQVZOBPJM-UHFFFAOYSA-N -1 0 317.367 -0.059 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000647755958 392842893 /nfs/dbraw/zinc/84/28/93/392842893.db2.gz RLNLOTOAGDYFKY-GMTAPVOTSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000647755961 392842930 /nfs/dbraw/zinc/84/29/30/392842930.db2.gz RLNLOTOAGDYFKY-VWYCJHECSA-N -1 0 318.395 -0.020 20 0 DBADRM COc1cc(C(=O)NCCCC(=O)[O-])sc1S(N)(=O)=O ZINC000647756528 392842934 /nfs/dbraw/zinc/84/29/34/392842934.db2.gz QNBPLQUUHQIRTI-UHFFFAOYSA-N -1 0 322.364 -0.001 20 0 DBADRM CN1CC[C@@H](C(=O)N(CC(=O)[O-])C2CCOCC2)S1(=O)=O ZINC000647733587 392831693 /nfs/dbraw/zinc/83/16/93/392831693.db2.gz OSXAKRKKZUBKHU-JTQLQIEISA-N -1 0 320.367 -0.888 20 0 DBADRM COCc1nc([C@H]2COCCN2C(=O)[C@@H]2C[C@H]2C(=O)[O-])no1 ZINC000647741637 392834992 /nfs/dbraw/zinc/83/49/92/392834992.db2.gz YVWAGQGZADJXTD-IWSPIJDZSA-N -1 0 311.294 -0.163 20 0 DBADRM COCC1(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CC1 ZINC000647742950 392835979 /nfs/dbraw/zinc/83/59/79/392835979.db2.gz QYCIHCBBNXGCIA-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)c2cc3c(cn2)OCCO3)n1 ZINC000647784019 392886119 /nfs/dbraw/zinc/88/61/19/392886119.db2.gz GLDMNHIAWMTVOQ-UHFFFAOYSA-N -1 0 305.250 -0.219 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)cn1 ZINC000571043345 392859532 /nfs/dbraw/zinc/85/95/32/392859532.db2.gz JGITZEGTHBLSFA-UHFFFAOYSA-N -1 0 300.336 -0.010 20 0 DBADRM Cc1nc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c(=O)[nH]c1C ZINC000647769352 392860114 /nfs/dbraw/zinc/86/01/14/392860114.db2.gz UAXZMHCAFNBKOT-SECBINFHSA-N -1 0 305.294 -0.324 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(C)o1 ZINC000274909113 292004959 /nfs/dbraw/zinc/00/49/59/292004959.db2.gz KDNQDLLYUYFMAI-LURJTMIESA-N -1 0 307.280 -0.902 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000647773409 392868339 /nfs/dbraw/zinc/86/83/39/392868339.db2.gz YBHJCVFXCMEPSI-WPRPVWTQSA-N -1 0 311.342 -0.111 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)Nc2ncn(CC(=O)[O-])n2)C1 ZINC000647780704 392875513 /nfs/dbraw/zinc/87/55/13/392875513.db2.gz KGHOTDBLVNJNFI-SECBINFHSA-N -1 0 309.326 -0.050 20 0 DBADRM O=C(CCNS(=O)(=O)c1ncc[n-]1)NCc1ccccn1 ZINC000647904599 392921650 /nfs/dbraw/zinc/92/16/50/392921650.db2.gz OACYWCKGPXLGEG-UHFFFAOYSA-N -1 0 309.351 -0.211 20 0 DBADRM C[C@H](CCO)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269776570 392927440 /nfs/dbraw/zinc/92/74/40/392927440.db2.gz NXDUFFQWGZBVTB-ZCFIWIBFSA-N -1 0 314.323 -0.515 20 0 DBADRM C[C@@H](CCO)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269776569 392927509 /nfs/dbraw/zinc/92/75/09/392927509.db2.gz NXDUFFQWGZBVTB-LURJTMIESA-N -1 0 314.323 -0.515 20 0 DBADRM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)[N-]OCC(N)=O ZINC000271363330 392930894 /nfs/dbraw/zinc/93/08/94/392930894.db2.gz GSDMDDYGCHSYRO-SGDMMICCSA-N -1 0 301.368 -0.223 20 0 DBADRM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)[N-]OCC(N)=O ZINC000272267308 392933264 /nfs/dbraw/zinc/93/32/64/392933264.db2.gz RJIPWERLIFBPOX-SSDOTTSWSA-N -1 0 305.356 -0.171 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)NCCOCCO)cc2[n-]c1=S ZINC000298289688 132054236 /nfs/dbraw/zinc/05/42/36/132054236.db2.gz BWDAFTKPFNJHMR-UHFFFAOYSA-N -1 0 323.374 -0.039 20 0 DBADRM CN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000298873791 132081329 /nfs/dbraw/zinc/08/13/29/132081329.db2.gz WYDKEKSXJROHQU-UHFFFAOYSA-N -1 0 312.347 -0.021 20 0 DBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCNC(=O)C2)c1 ZINC000299247718 132094993 /nfs/dbraw/zinc/09/49/93/132094993.db2.gz XJBGQOKSWRUZOA-UHFFFAOYSA-N -1 0 311.363 -0.061 20 0 DBADRM Nc1nc(CN2CCN(C(=O)C(=O)[O-])CC2)nc2ccccc12 ZINC000274195779 392939763 /nfs/dbraw/zinc/93/97/63/392939763.db2.gz SAHFBMLOIYUMNC-UHFFFAOYSA-N -1 0 315.333 -0.059 20 0 DBADRM COc1ncnc(OC)c1C(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000274764670 392941505 /nfs/dbraw/zinc/94/15/05/392941505.db2.gz KFIALKYLQHOMKT-SSDOTTSWSA-N -1 0 307.314 -0.117 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000042551349 132150697 /nfs/dbraw/zinc/15/06/97/132150697.db2.gz YNJQFVYQTFVIIE-VIFPVBQESA-N -1 0 308.356 -0.477 20 0 DBADRM Cn1cc(C[C@H](NS(=O)(=O)N2CCCCC2)C(=O)[O-])cn1 ZINC000275223011 392943498 /nfs/dbraw/zinc/94/34/98/392943498.db2.gz ISADFQILUSNNCB-NSHDSACASA-N -1 0 316.383 -0.264 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000277554734 392948660 /nfs/dbraw/zinc/94/86/60/392948660.db2.gz UPGNKRMECGCRRY-LURJTMIESA-N -1 0 311.260 -0.844 20 0 DBADRM COC(=O)[C@]1(C)CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000282031064 392951726 /nfs/dbraw/zinc/95/17/26/392951726.db2.gz BAZIXIFSBAHFRU-JMCQJSRRSA-N -1 0 314.367 -0.152 20 0 DBADRM C[C@@H](C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1)S(C)(=O)=O ZINC000532004173 392978605 /nfs/dbraw/zinc/97/86/05/392978605.db2.gz ZGGRMSAEUHUPPF-UWVGGRQHSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](N=c2ncnc3[nH][nH]cc2-3)C1=O ZINC000416438213 393006798 /nfs/dbraw/zinc/00/67/98/393006798.db2.gz AHJJSXQTYUKSQA-UWVGGRQHSA-N -1 0 318.337 -0.152 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)CNC(=O)c1ncccc1O)C1CC1 ZINC000417430478 393045437 /nfs/dbraw/zinc/04/54/37/393045437.db2.gz XRWVMGTYFKRJLD-MRVPVSSYSA-N -1 0 307.306 -0.019 20 0 DBADRM N=c1[n-]nc(S(=O)(=O)CC(=O)N2CCCCC2)n1C1CC1 ZINC000647997083 393067811 /nfs/dbraw/zinc/06/78/11/393067811.db2.gz KEORQQBFDPJWAH-UHFFFAOYSA-N -1 0 313.383 -0.188 20 0 DBADRM CN(CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1)[C@H]1CCSC1 ZINC000343355630 393073412 /nfs/dbraw/zinc/07/34/12/393073412.db2.gz LDUVGIRXHVUISW-ZETCQYMHSA-N -1 0 319.412 -0.416 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000348272336 393135958 /nfs/dbraw/zinc/13/59/58/393135958.db2.gz BYUGHUIBIQDWME-NTSWFWBYSA-N -1 0 318.259 -0.238 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000348294142 393137599 /nfs/dbraw/zinc/13/75/99/393137599.db2.gz QBWROQGQZRCLAD-JTQLQIEISA-N -1 0 304.354 -0.046 20 0 DBADRM C[C@@]12CCC(=O)N1[C@@H](C(=O)NC1(c3nnn[n-]3)CC1)CS2 ZINC000348296354 393139833 /nfs/dbraw/zinc/13/98/33/393139833.db2.gz FWJGEDWLKVQTET-RDDDGLTNSA-N -1 0 308.367 -0.241 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)Cc2nnnn2C(C)C)[n-]1 ZINC000350184599 393232656 /nfs/dbraw/zinc/23/26/56/393232656.db2.gz OODYUMUSLQNMJX-UHFFFAOYSA-N -1 0 314.327 -0.262 20 0 DBADRM CC(C)CCOCCNC(=O)CS(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000350175719 393233129 /nfs/dbraw/zinc/23/31/29/393233129.db2.gz IMTXLKCUFUQEFB-UHFFFAOYSA-N -1 0 320.371 -0.537 20 0 DBADRM CCCc1nc(=NC(=O)N2CC(NC(=O)COC)C2)s[n-]1 ZINC000350869164 393253420 /nfs/dbraw/zinc/25/34/20/393253420.db2.gz PNGHKKQQIYSJDU-UHFFFAOYSA-N -1 0 313.383 -0.109 20 0 DBADRM CC[C@H]1C[C@H](C(=O)Nc2n[nH]c(CC(=O)OC)n2)CC(=O)N1 ZINC000349124736 393188263 /nfs/dbraw/zinc/18/82/63/393188263.db2.gz CFYUDAWVUOXWME-YUMQZZPRSA-N -1 0 309.326 -0.237 20 0 DBADRM O=C(NC[C@H]1CC[C@H](CO)O1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000349704303 393214076 /nfs/dbraw/zinc/21/40/76/393214076.db2.gz UNGJJUKTODEYHZ-RKDXNWHRSA-N -1 0 320.305 -0.294 20 0 DBADRM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ncccn2)c1 ZINC000351700776 393300740 /nfs/dbraw/zinc/30/07/40/393300740.db2.gz TXRVNXBTQKNWBF-UHFFFAOYSA-N -1 0 314.348 -0.075 20 0 DBADRM C[C@@H](O)CN(CCO)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000351949707 393334073 /nfs/dbraw/zinc/33/40/73/393334073.db2.gz RMXWZVQRACVYLB-SNVBAGLBSA-N -1 0 313.379 -0.316 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@]2(CCCOC2)O1 ZINC000330064548 393321372 /nfs/dbraw/zinc/32/13/72/393321372.db2.gz CKASPHNDXDKHBJ-BMIGLBTASA-N -1 0 323.349 -0.104 20 0 DBADRM C[C@H](O)CN(CCO)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000351949706 393334361 /nfs/dbraw/zinc/33/43/61/393334361.db2.gz RMXWZVQRACVYLB-JTQLQIEISA-N -1 0 313.379 -0.316 20 0 DBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cnc([O-])n(C)c1=O ZINC000329374550 393262877 /nfs/dbraw/zinc/26/28/77/393262877.db2.gz LCHUUTRHVHYYPW-MNOVXSKESA-N -1 0 322.365 -0.579 20 0 DBADRM CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000192008716 393266296 /nfs/dbraw/zinc/26/62/96/393266296.db2.gz ONAPVRHOTGOROL-SSDOTTSWSA-N -1 0 303.306 -0.064 20 0 DBADRM CC[C@H](O)CN1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000192027566 393267311 /nfs/dbraw/zinc/26/73/11/393267311.db2.gz VCFPPYKNWHUGGU-VIFPVBQESA-N -1 0 319.349 -0.228 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2noc(C)n2)cn1 ZINC000351508720 393279200 /nfs/dbraw/zinc/27/92/00/393279200.db2.gz GPLZSCSCRAQXTO-UHFFFAOYSA-N -1 0 301.284 -0.452 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000352038204 393342859 /nfs/dbraw/zinc/34/28/59/393342859.db2.gz FSFKXFPRIDPYAV-CYBMUJFWSA-N -1 0 318.337 -0.774 20 0 DBADRM COc1cccc(C(=O)NCC(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000352206465 393357083 /nfs/dbraw/zinc/35/70/83/393357083.db2.gz WSNJBKRNWBGCSW-UHFFFAOYSA-N -1 0 316.321 -0.256 20 0 DBADRM CN(C)c1cccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000352868339 393412823 /nfs/dbraw/zinc/41/28/23/393412823.db2.gz DKCAEFNHCRXZDM-UHFFFAOYSA-N -1 0 312.351 -0.050 20 0 DBADRM CO[C@H](CS(=O)(=O)NCC(=O)NCC(F)F)C(C)C ZINC000645690885 393494299 /nfs/dbraw/zinc/49/42/99/393494299.db2.gz ZOJNRRLPBLJBEK-MRVPVSSYSA-N -1 0 302.343 -0.042 20 0 DBADRM CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000420593980 393593173 /nfs/dbraw/zinc/59/31/73/393593173.db2.gz OOJVMKXCLJPDIB-SNVBAGLBSA-N -1 0 313.354 -0.563 20 0 DBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000262921927 393596837 /nfs/dbraw/zinc/59/68/37/393596837.db2.gz IVBITOQGBXGQKL-RKDXNWHRSA-N -1 0 307.368 -0.100 20 0 DBADRM C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000424167730 393630607 /nfs/dbraw/zinc/63/06/07/393630607.db2.gz HLZMZHZZVLBQRU-KCJUWKMLSA-N -1 0 304.310 -0.317 20 0 DBADRM C[C@H]1CCCN(C(=O)CCS(=O)(=O)N(C)C)[C@H]1C(=O)[O-] ZINC000424264393 393636009 /nfs/dbraw/zinc/63/60/09/393636009.db2.gz SAQNNISNWKXINH-GXSJLCMTSA-N -1 0 306.384 -0.020 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424253738 393636138 /nfs/dbraw/zinc/63/61/38/393636138.db2.gz KWUFBALXQIUAQE-ONGXEEELSA-N -1 0 306.384 -0.020 20 0 DBADRM CCCn1ncnc1CN1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424265333 393636152 /nfs/dbraw/zinc/63/61/52/393636152.db2.gz VEUYIRGXWNTICV-QMMMGPOBSA-N -1 0 307.314 -0.546 20 0 DBADRM CC(C)C[C@@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)[O-] ZINC000424240421 393636253 /nfs/dbraw/zinc/63/62/53/393636253.db2.gz GAIJEFXNPLTTGA-QMMMGPOBSA-N -1 0 313.310 -0.730 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NC[C@H](CC(C)C)C(=O)[O-])C(N)=O ZINC000424251219 393636365 /nfs/dbraw/zinc/63/63/65/393636365.db2.gz QCXVBAKKRHTEAM-UWVGGRQHSA-N -1 0 301.343 -0.770 20 0 DBADRM CC(C)(CCNC(=O)NCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000424403400 393638153 /nfs/dbraw/zinc/63/81/53/393638153.db2.gz FMSTVSOXTAGOIX-UHFFFAOYSA-N -1 0 300.315 -0.662 20 0 DBADRM COc1ccnc(CNC(=O)C(=O)N(C)CCCC(=O)[O-])n1 ZINC000424468761 393640421 /nfs/dbraw/zinc/64/04/21/393640421.db2.gz AASNYFZENHJKJV-UHFFFAOYSA-N -1 0 310.310 -0.575 20 0 DBADRM CC(C)(CCNC(=O)NC[C@H]1CS(=O)(=O)CCO1)C(=O)[O-] ZINC000424449383 393641186 /nfs/dbraw/zinc/64/11/86/393641186.db2.gz LBQIZXPSXWOYDZ-VIFPVBQESA-N -1 0 322.383 -0.400 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CCO1 ZINC000424475586 393642838 /nfs/dbraw/zinc/64/28/38/393642838.db2.gz BWCKFZNULPQGHC-SNVBAGLBSA-N -1 0 316.354 -0.523 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CCn2ncnc2C1)C(=O)[O-] ZINC000424484583 393644187 /nfs/dbraw/zinc/64/41/87/393644187.db2.gz UXSPCSFBGFEJOH-UHFFFAOYSA-N -1 0 309.326 -0.763 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])n1 ZINC000424489166 393645063 /nfs/dbraw/zinc/64/50/63/393645063.db2.gz OYYYVTYCTDNMHY-UHFFFAOYSA-N -1 0 310.354 -0.304 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424488272 393645157 /nfs/dbraw/zinc/64/51/57/393645157.db2.gz KATIUQQAUCLFRO-NSHDSACASA-N -1 0 315.370 -0.508 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)NCCC(=O)N(C)C)C(=O)[O-] ZINC000424522291 393646311 /nfs/dbraw/zinc/64/63/11/393646311.db2.gz RXDJBEPJBTUPJE-UHFFFAOYSA-N -1 0 315.370 -0.412 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000165945970 393734962 /nfs/dbraw/zinc/73/49/62/393734962.db2.gz NMUUSJWAJBHHBK-UHFFFAOYSA-N -1 0 303.340 -0.122 20 0 DBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC000167876824 393735446 /nfs/dbraw/zinc/73/54/46/393735446.db2.gz UCJVUBRWLKYQQQ-BBBLOLIVSA-N -1 0 305.352 -0.346 20 0 DBADRM Cc1noc(CCCNS(=O)(=O)N(C)CCC(=O)[O-])n1 ZINC000645963268 393736927 /nfs/dbraw/zinc/73/69/27/393736927.db2.gz QHNZCWTUBMNJLL-UHFFFAOYSA-N -1 0 306.344 -0.448 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCO[C@@]3(CCOC3)C2)c[nH]1 ZINC000645974917 393737862 /nfs/dbraw/zinc/73/78/62/393737862.db2.gz QYIJEHGDTPQKBO-LBPRGKRZSA-N -1 0 316.335 -0.107 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@]2(CCOC2)C1 ZINC000645974854 393737878 /nfs/dbraw/zinc/73/78/78/393737878.db2.gz DIXKSVPTXZYZNG-LLVKDONJSA-N -1 0 308.356 -0.871 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000645969871 393737997 /nfs/dbraw/zinc/73/79/97/393737997.db2.gz QQRLSAGZHGAVIH-MRVPVSSYSA-N -1 0 316.401 -0.950 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCOC[C@H]1CC(=O)[O-])C1CC1 ZINC000646042331 393743012 /nfs/dbraw/zinc/74/30/12/393743012.db2.gz GPNSBHKZBCBYMD-GHMZBOCLSA-N -1 0 307.368 -0.083 20 0 DBADRM Cn1nncc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000646043393 393743944 /nfs/dbraw/zinc/74/39/44/393743944.db2.gz SKBIGFRKSIXUOR-OYNCUSHFSA-N -1 0 300.340 -0.311 20 0 DBADRM CCn1nccc1S(=O)(=O)[N-]c1ncn(CC(=O)OC)n1 ZINC000471909368 393745856 /nfs/dbraw/zinc/74/58/56/393745856.db2.gz VKMOHGKWJUAWCS-UHFFFAOYSA-N -1 0 314.327 -0.532 20 0 DBADRM CC[C@H](NC(=O)NCCCC(=O)[O-])C(=O)N1CCOCC1 ZINC000646151641 393754647 /nfs/dbraw/zinc/75/46/47/393754647.db2.gz ICGJQJBVWDCGIN-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM O=C([O-])C1(CNC(=O)NC[C@@H]2CCCNC2=O)CCOCC1 ZINC000646161693 393755571 /nfs/dbraw/zinc/75/55/71/393755571.db2.gz UCBOPCFXLDCDRA-JTQLQIEISA-N -1 0 313.354 -0.307 20 0 DBADRM CCOCCOC[C@H](O)CNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000646178298 393756125 /nfs/dbraw/zinc/75/61/25/393756125.db2.gz KKORUCOHVUXLGZ-QJPTWQEYSA-N -1 0 318.370 -0.047 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCC(=O)OC(C)(C)C ZINC000487005766 393763186 /nfs/dbraw/zinc/76/31/86/393763186.db2.gz DCSCEJIRONWTTR-UHFFFAOYSA-N -1 0 310.372 -0.343 20 0 DBADRM NS(=O)(=O)CCOCCNC(=O)c1ccc(F)cc1[O-] ZINC000646182023 393756892 /nfs/dbraw/zinc/75/68/92/393756892.db2.gz RZAWSRCYLGIPKZ-UHFFFAOYSA-N -1 0 306.315 -0.434 20 0 DBADRM C[C@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000429902098 393699857 /nfs/dbraw/zinc/69/98/57/393699857.db2.gz KXNQRMAOUSUPQQ-YUMQZZPRSA-N -1 0 302.356 -0.021 20 0 DBADRM NC(=O)CC1(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1 ZINC000443782415 393721928 /nfs/dbraw/zinc/72/19/28/393721928.db2.gz BWZRUXFWZVYFRZ-UHFFFAOYSA-N -1 0 317.305 -0.036 20 0 DBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000444436873 393724039 /nfs/dbraw/zinc/72/40/39/393724039.db2.gz NKHSAUSAWWQDOF-HTRCEHHLSA-N -1 0 316.339 -0.873 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CCOC1 ZINC000447185852 393726368 /nfs/dbraw/zinc/72/63/68/393726368.db2.gz ZWYBEFFVMTTYHX-FOGDFJRCSA-N -1 0 322.383 -0.738 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000496039120 393834971 /nfs/dbraw/zinc/83/49/71/393834971.db2.gz BQKAYGFVGNEIFF-UHFFFAOYSA-N -1 0 304.328 -0.720 20 0 DBADRM CO[C@@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H]1OC ZINC000489205648 393777699 /nfs/dbraw/zinc/77/76/99/393777699.db2.gz SVMMJNMLLPNYFI-NXEZZACHSA-N -1 0 320.305 -0.078 20 0 DBADRM CO[C@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H]1OC ZINC000489205649 393777861 /nfs/dbraw/zinc/77/78/61/393777861.db2.gz SVMMJNMLLPNYFI-UWVGGRQHSA-N -1 0 320.305 -0.078 20 0 DBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)C(C)C ZINC000491367265 393811691 /nfs/dbraw/zinc/81/16/91/393811691.db2.gz PKXYEJBOWLCDTB-IUCAKERBSA-N -1 0 308.356 -0.398 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)OC)C(C)C ZINC000491417783 393814309 /nfs/dbraw/zinc/81/43/09/393814309.db2.gz MLIMFDJGMZESEP-VIFPVBQESA-N -1 0 310.372 -0.151 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)OC)C(C)C ZINC000491488965 393815610 /nfs/dbraw/zinc/81/56/10/393815610.db2.gz RYZGCSOSJGNFIV-IUCAKERBSA-N -1 0 310.372 -0.152 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cc(C)ccn1 ZINC000491539569 393817944 /nfs/dbraw/zinc/81/79/44/393817944.db2.gz HUBNBBXUNYLMGE-UHFFFAOYSA-N -1 0 301.324 -0.059 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000036983848 285870144 /nfs/dbraw/zinc/87/01/44/285870144.db2.gz PRZZMJVFJOFIHN-ZJUUUORDSA-N -1 0 320.367 -0.192 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000262299717 286613909 /nfs/dbraw/zinc/61/39/09/286613909.db2.gz NKYCRCBNKMGTQF-KXUCPTDWSA-N -1 0 307.368 -0.100 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000262212227 298208107 /nfs/dbraw/zinc/20/81/07/298208107.db2.gz UHODVXIYEPXYLY-RKDXNWHRSA-N -1 0 307.368 -0.100 20 0 DBADRM CC[C@@H]1C(=O)NCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000264406673 286984574 /nfs/dbraw/zinc/98/45/74/286984574.db2.gz HAPUEUKTBQFYFV-SECBINFHSA-N -1 0 317.305 -0.213 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000261746471 292492694 /nfs/dbraw/zinc/49/26/94/292492694.db2.gz VTKKWDVCDWRTDD-SNVBAGLBSA-N -1 0 312.388 -0.475 20 0 DBADRM CC[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H](C)[S@]1=O ZINC000287871118 287177800 /nfs/dbraw/zinc/17/78/00/287177800.db2.gz MPLJRHSWXUZXKF-FQJNGZCASA-N -1 0 313.379 -0.143 20 0 DBADRM O=C(N=c1nc2ccccn2[n-]1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000650117361 411631401 /nfs/dbraw/zinc/63/14/01/411631401.db2.gz QJUHMHFYERINOG-LLVKDONJSA-N -1 0 302.338 -0.566 20 0 DBADRM COc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])o1 ZINC000655542425 411633775 /nfs/dbraw/zinc/63/37/75/411633775.db2.gz ACHFOZLIINVCFP-SSDOTTSWSA-N -1 0 303.292 -0.388 20 0 DBADRM Cc1nc(=NC(=O)N2CCOC[C@H]2c2ccnn2C)[n-]n1C ZINC000650214883 411638155 /nfs/dbraw/zinc/63/81/55/411638155.db2.gz LOYOVOZIXCDAGG-NSHDSACASA-N -1 0 305.342 -0.116 20 0 DBADRM C[C@H](c1cccnc1)N1C(=O)C[C@@H](NCc2nnn[n-]2)C1=O ZINC000653285214 411703483 /nfs/dbraw/zinc/70/34/83/411703483.db2.gz HXKQKIQGCJPWDP-PSASIEDQSA-N -1 0 301.310 -0.427 20 0 DBADRM Cn1cnc(=NC(=O)N2CCN(C(=O)N3CCCCC3)CC2)[n-]1 ZINC000653295888 411712681 /nfs/dbraw/zinc/71/26/81/411712681.db2.gz HTMLTQLJZSASTA-UHFFFAOYSA-N -1 0 321.385 -0.008 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC000650291412 411658389 /nfs/dbraw/zinc/65/83/89/411658389.db2.gz RHMWVZUBLIYHLB-GXFFZTMASA-N -1 0 316.379 -0.052 20 0 DBADRM C[C@@]1(C(N)=O)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000389451403 411660825 /nfs/dbraw/zinc/66/08/25/411660825.db2.gz IKBUOVBUTIFHOY-CYBMUJFWSA-N -1 0 313.354 -0.225 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000663101883 411669956 /nfs/dbraw/zinc/66/99/56/411669956.db2.gz RIWWIRFOYYTUSH-DTWKUNHWSA-N -1 0 306.384 -0.117 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000663129914 411670127 /nfs/dbraw/zinc/67/01/27/411670127.db2.gz ABHORGAQBKWYTR-NSHDSACASA-N -1 0 308.356 -0.934 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663122149 411670391 /nfs/dbraw/zinc/67/03/91/411670391.db2.gz ZOVXACGDOBTFGU-ZJUUUORDSA-N -1 0 321.399 -0.625 20 0 DBADRM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)[C@@H]1CCCS1(=O)=O ZINC000655391384 411676418 /nfs/dbraw/zinc/67/64/18/411676418.db2.gz JWPNLGLJPIQOIG-QWRGUYRKSA-N -1 0 321.362 -0.018 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCO[C@H](CF)C1)C1CCC1 ZINC000663639971 411681808 /nfs/dbraw/zinc/68/18/08/411681808.db2.gz ZQBIVBWFMKASSQ-MNOVXSKESA-N -1 0 316.329 -0.200 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CC[C@](F)(CO)C1)C1CCC1 ZINC000663635660 411682267 /nfs/dbraw/zinc/68/22/67/411682267.db2.gz NEPVGGCJXCMUHV-IINYFYTJSA-N -1 0 316.329 -0.464 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCC(=O)[O-])C[C@](C)(C(F)F)O1 ZINC000663627024 411682470 /nfs/dbraw/zinc/68/24/70/411682470.db2.gz DUARXUNSSUGQJG-JVXZTZIISA-N -1 0 308.281 -0.152 20 0 DBADRM C=CCC[C@@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000316256092 411682921 /nfs/dbraw/zinc/68/29/21/411682921.db2.gz DJXDFVXXNCBUIL-ZJUUUORDSA-N -1 0 304.368 -0.054 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000650700509 411683863 /nfs/dbraw/zinc/68/38/63/411683863.db2.gz MDJRZRSDOWMMHD-IAQIWYKVSA-N -1 0 304.349 -0.012 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCO1 ZINC000659053493 411687327 /nfs/dbraw/zinc/68/73/27/411687327.db2.gz IJWDCQYWRYGUES-VIFPVBQESA-N -1 0 323.305 -0.408 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659055627 411687974 /nfs/dbraw/zinc/68/79/74/411687974.db2.gz LBFKMWXJGBCCLE-IUCAKERBSA-N -1 0 323.305 -0.674 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000659061474 411688955 /nfs/dbraw/zinc/68/89/55/411688955.db2.gz VLSUZLMFAJDJMR-UHFFFAOYSA-N -1 0 319.317 -0.108 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659058053 411689511 /nfs/dbraw/zinc/68/95/11/411689511.db2.gz HXCAEHYAJYDVAE-IONNQARKSA-N -1 0 320.305 -0.641 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@H]2CCCCS2(=O)=O)[n-]n1 ZINC000650817409 411690359 /nfs/dbraw/zinc/69/03/59/411690359.db2.gz BOVKMHLNEGKTRB-SECBINFHSA-N -1 0 312.351 -0.836 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)C[C@@H]2CCOC[C@H]2OC)[n-]n1 ZINC000650819302 411690686 /nfs/dbraw/zinc/69/06/86/411690686.db2.gz PWMXQQUEAUKPLQ-GXSJLCMTSA-N -1 0 308.338 -0.362 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@H](C)Cc2cnn(C)c2)[n-]n1 ZINC000650819540 411691136 /nfs/dbraw/zinc/69/11/36/411691136.db2.gz XTAXKMCCYXIJDU-SECBINFHSA-N -1 0 302.338 -0.191 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)C1(n2cnnn2)CCCCC1 ZINC000653277124 411700125 /nfs/dbraw/zinc/70/01/25/411700125.db2.gz AKNBUWSDUOFSAF-UHFFFAOYSA-N -1 0 311.342 -0.108 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)NC1(C(=O)[O-])CCCC1 ZINC000653277234 411700532 /nfs/dbraw/zinc/70/05/32/411700532.db2.gz GEXQTEVCUYQQLM-UHFFFAOYSA-N -1 0 308.338 -0.105 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC000659145439 411734381 /nfs/dbraw/zinc/73/43/81/411734381.db2.gz LCPLJPWCWHJPAL-ZJUUUORDSA-N -1 0 309.326 -0.452 20 0 DBADRM O=C(CC1(Cn2cnnn2)CCCCC1)NCc1nnn[n-]1 ZINC000651307167 411734891 /nfs/dbraw/zinc/73/48/91/411734891.db2.gz ITDLGAFYLYRLGR-UHFFFAOYSA-N -1 0 305.346 -0.157 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)/N=c1\[n-]nc2ccccn21 ZINC000041837313 411738158 /nfs/dbraw/zinc/73/81/58/411738158.db2.gz LPNJRUFXYSPJDK-JTQLQIEISA-N -1 0 323.378 -0.096 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000653320755 411741263 /nfs/dbraw/zinc/74/12/63/411741263.db2.gz VGIRSGJQWSJVIU-QMMMGPOBSA-N -1 0 311.294 -0.737 20 0 DBADRM Cn1cc(CCNS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC000110287014 411742873 /nfs/dbraw/zinc/74/28/73/411742873.db2.gz PLDUQCCJJLLTKQ-NSHDSACASA-N -1 0 316.383 -0.406 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@H]2CCS(=O)(=O)N2)CCc2ccccc21 ZINC000652055811 411753640 /nfs/dbraw/zinc/75/36/40/411753640.db2.gz NJQCOFFRTUQXDX-BXUZGUMPSA-N -1 0 324.358 -0.279 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)Cc2ccccc21 ZINC000652065065 411753654 /nfs/dbraw/zinc/75/36/54/411753654.db2.gz LIPBYDZUJVPYNX-RYUDHWBXSA-N -1 0 324.358 -0.111 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@H]2CCS(=O)(=O)N2)CCCCC1 ZINC000652067345 411753701 /nfs/dbraw/zinc/75/37/01/411753701.db2.gz UTCPSBSDYJHGHW-SECBINFHSA-N -1 0 304.368 -0.171 20 0 DBADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652055062 411753723 /nfs/dbraw/zinc/75/37/23/411753723.db2.gz TZUCGSQCLONCPN-NWDGAFQWSA-N -1 0 324.358 -0.284 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)c2ccccc21 ZINC000652067843 411753995 /nfs/dbraw/zinc/75/39/95/411753995.db2.gz JHYUKVCWZVQQCD-ZJUUUORDSA-N -1 0 310.331 -0.107 20 0 DBADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652056630 411754263 /nfs/dbraw/zinc/75/42/63/411754263.db2.gz CEDWFOMNQZRFIH-RYUDHWBXSA-N -1 0 324.358 -0.111 20 0 DBADRM CC[C@H](CNC(=O)CC1(n2cnnn2)CCOCC1)C(=O)[O-] ZINC000659163690 411755104 /nfs/dbraw/zinc/75/51/04/411755104.db2.gz JWEWUVFDIHOSLD-SNVBAGLBSA-N -1 0 311.342 -0.204 20 0 DBADRM C[C@@H]1CN(C(=O)Cc2nc(C3CC3)nn2C)C[C@H](C(=O)[O-])O1 ZINC000652111848 411758356 /nfs/dbraw/zinc/75/83/56/411758356.db2.gz DYRVBZPRCOINMG-PSASIEDQSA-N -1 0 308.338 -0.065 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)no1 ZINC000652127943 411759325 /nfs/dbraw/zinc/75/93/25/411759325.db2.gz JLZRAXMUBNYTSV-VHSXEESVSA-N -1 0 307.306 -0.087 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000659169512 411766553 /nfs/dbraw/zinc/76/65/53/411766553.db2.gz DKVSRUSWQINTHG-SDDRHHMPSA-N -1 0 310.350 -0.007 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C(C)C)C(=O)C2)[n-]1 ZINC000651657441 411767442 /nfs/dbraw/zinc/76/74/42/411767442.db2.gz FTWMCOSHXIPGOC-UHFFFAOYSA-N -1 0 322.369 -0.701 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N(CC(=O)[O-])CC1CC1 ZINC000653325281 411768509 /nfs/dbraw/zinc/76/85/09/411768509.db2.gz UEPICVJFHSXVAE-UHFFFAOYSA-N -1 0 322.383 -0.735 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)[n-]1 ZINC000651745833 411772007 /nfs/dbraw/zinc/77/20/07/411772007.db2.gz YLOHBMGFBVNRFE-MRVPVSSYSA-N -1 0 317.296 -0.552 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H](CO)CC2CCC2)[n-]1 ZINC000651764487 411773965 /nfs/dbraw/zinc/77/39/65/411773965.db2.gz BLACXRJMUWBVCV-LLVKDONJSA-N -1 0 309.370 -0.113 20 0 DBADRM CC[C@@H]1[C@H](CO)CCN1C(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651833118 411777173 /nfs/dbraw/zinc/77/71/73/411777173.db2.gz QJDUYGRVTHFGMH-WDEREUQCSA-N -1 0 309.370 -0.161 20 0 DBADRM C[C@](NC(=O)CC1(n2cnnn2)CCOCC1)(C(=O)[O-])C1CC1 ZINC000659138853 411719908 /nfs/dbraw/zinc/71/99/08/411719908.db2.gz WZQGSUHWTJPLIB-CYBMUJFWSA-N -1 0 323.353 -0.062 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NCCN2CCCS2(=O)=O)CC=CCC1 ZINC000653300565 411721140 /nfs/dbraw/zinc/72/11/40/411721140.db2.gz YTVWCAWGOYKQHG-ZDUSSCGKSA-N -1 0 316.379 -0.051 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)CCN2C1=O ZINC000653299932 411721169 /nfs/dbraw/zinc/72/11/69/411721169.db2.gz IANSESQQXAKSFX-VWYCJHECSA-N -1 0 323.349 -0.018 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC000653304598 411725915 /nfs/dbraw/zinc/72/59/15/411725915.db2.gz QRWDPHCLBRPZRW-ZWNOBZJWSA-N -1 0 316.379 -0.052 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC000653304596 411726154 /nfs/dbraw/zinc/72/61/54/411726154.db2.gz QRWDPHCLBRPZRW-GXFFZTMASA-N -1 0 316.379 -0.052 20 0 DBADRM CN=c1[n-]nc(CC(=O)NCC[C@@]2(O)CCCOC2)s1 ZINC000652952159 411864412 /nfs/dbraw/zinc/86/44/12/411864412.db2.gz LBBBLJFYSQIUME-LBPRGKRZSA-N -1 0 300.384 -0.408 20 0 DBADRM Cn1cc(CNC(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)nn1 ZINC000652655661 411810575 /nfs/dbraw/zinc/81/05/75/411810575.db2.gz JOUPOQOQJCOZDK-JTQLQIEISA-N -1 0 323.353 -0.465 20 0 DBADRM CN1CCN(C(=O)C(=O)NCc2cccc(C(=O)[O-])c2)CC1=O ZINC000652654517 411810589 /nfs/dbraw/zinc/81/05/89/411810589.db2.gz JDAJXLZVXDOXHZ-UHFFFAOYSA-N -1 0 319.317 -0.698 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(C)C(=O)C1)C(=O)[O-] ZINC000652654298 411810742 /nfs/dbraw/zinc/81/07/42/411810742.db2.gz CIBVFXZTMJSSLW-JTQLQIEISA-N -1 0 313.354 -0.850 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)CCC(=O)[O-])c1 ZINC000653335672 411812395 /nfs/dbraw/zinc/81/23/95/411812395.db2.gz UJADPMKPBUXJCX-UHFFFAOYSA-N -1 0 304.299 -0.046 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)CCCOC ZINC000653345384 411818126 /nfs/dbraw/zinc/81/81/26/411818126.db2.gz RBQGDIGCJUJGHS-SECBINFHSA-N -1 0 310.372 -0.736 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(S(=O)(=O)NC)nc1 ZINC000653345275 411818471 /nfs/dbraw/zinc/81/84/71/411818471.db2.gz PDVFKQQSUITHFW-SECBINFHSA-N -1 0 315.351 -0.075 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)NCC1(C(=O)[O-])CCC1 ZINC000659404837 411822042 /nfs/dbraw/zinc/82/20/42/411822042.db2.gz PQFUMSWWNIFERY-VIFPVBQESA-N -1 0 321.399 -0.132 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)NCC1(C(=O)[O-])CCC1 ZINC000659404835 411822160 /nfs/dbraw/zinc/82/21/60/411822160.db2.gz PQFUMSWWNIFERY-SECBINFHSA-N -1 0 321.399 -0.132 20 0 DBADRM C[C@@H](CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000655562076 411834572 /nfs/dbraw/zinc/83/45/72/411834572.db2.gz RISWVXFRZACMKI-LURJTMIESA-N -1 0 306.278 -0.515 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655567354 411835025 /nfs/dbraw/zinc/83/50/25/411835025.db2.gz MMQSAMWBFWTWAU-SNVBAGLBSA-N -1 0 324.399 -0.585 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655573779 411835874 /nfs/dbraw/zinc/83/58/74/411835874.db2.gz AGNHFHZDEQNIFQ-QEYWKRMJSA-N -1 0 318.395 -0.070 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N(CC(=O)[O-])C1CCC1 ZINC000655589154 411836690 /nfs/dbraw/zinc/83/66/90/411836690.db2.gz VMYHJZXLMSFJIB-UHFFFAOYSA-N -1 0 315.351 -0.248 20 0 DBADRM Cc1nn(CC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c(=O)n1C ZINC000655597171 411836695 /nfs/dbraw/zinc/83/66/95/411836695.db2.gz OEORLWMTIONRQY-NSHDSACASA-N -1 0 319.321 -0.903 20 0 DBADRM O=C([O-])CN(C(=O)Cn1nc2n(c1=O)CCCC2)C1CCC1 ZINC000655586620 411836867 /nfs/dbraw/zinc/83/68/67/411836867.db2.gz ALNDTKFTGOVZDI-UHFFFAOYSA-N -1 0 308.338 -0.153 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)N(CC(=O)[O-])C2CCC2)CC1 ZINC000655592916 411836925 /nfs/dbraw/zinc/83/69/25/411836925.db2.gz RXOPJURARSGJJQ-UHFFFAOYSA-N -1 0 319.383 -0.632 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000655600049 411836997 /nfs/dbraw/zinc/83/69/97/411836997.db2.gz WFNTXOMZLAXLFP-WCBMZHEXSA-N -1 0 315.351 -0.869 20 0 DBADRM O=C(Nc1nnn[n-]1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000345612052 411845070 /nfs/dbraw/zinc/84/50/70/411845070.db2.gz PFVDWLUJTIAXJG-UHFFFAOYSA-N -1 0 301.241 0.137 20 0 DBADRM CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659668589 411859936 /nfs/dbraw/zinc/85/99/36/411859936.db2.gz ZNMQCYUGUTXDQA-GHMZBOCLSA-N -1 0 312.366 -0.023 20 0 DBADRM NS(=O)(=O)CCNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659751762 411884794 /nfs/dbraw/zinc/88/47/94/411884794.db2.gz AQAXJWYRNAXBII-UHFFFAOYSA-N -1 0 302.308 -0.832 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)c2cnc(C(=O)[O-])cn2)CS1(=O)=O ZINC000659783376 411889929 /nfs/dbraw/zinc/88/99/29/411889929.db2.gz QDWGPTXHPVUMAL-SFYZADRCSA-N -1 0 313.335 -0.130 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC000402581822 411915039 /nfs/dbraw/zinc/91/50/39/411915039.db2.gz UJEGTOSLHIDNIV-PELKAZGASA-N -1 0 306.322 -0.327 20 0 DBADRM COCCOCCN1CCN(C(=O)N=c2cccn[n-]2)CC1 ZINC000650076942 411928319 /nfs/dbraw/zinc/92/83/19/411928319.db2.gz KXCDORZOZBSHJA-UHFFFAOYSA-N -1 0 309.370 -0.289 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])n1 ZINC000653496131 411869971 /nfs/dbraw/zinc/86/99/71/411869971.db2.gz FZBMRBRIOCMVES-JTQLQIEISA-N -1 0 310.335 -0.211 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000653531725 411877821 /nfs/dbraw/zinc/87/78/21/411877821.db2.gz WIRCRFPOAXXJOI-UHFFFAOYSA-N -1 0 314.346 -0.329 20 0 DBADRM COCC[C@@H](NC(=O)NCc1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC000653531903 411878064 /nfs/dbraw/zinc/87/80/64/411878064.db2.gz ADOHKMAXXRALQU-MRVPVSSYSA-N -1 0 314.346 -0.283 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)NCCCCC(=O)[O-])C1 ZINC000400186453 411883249 /nfs/dbraw/zinc/88/32/49/411883249.db2.gz JSQGMUFZLOREGW-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000400227224 411884323 /nfs/dbraw/zinc/88/43/23/411884323.db2.gz PYATZFSKNCJFPK-IVZWLZJFSA-N -1 0 319.383 -0.427 20 0 DBADRM C[C@@H](CNC(=O)NCCCN1CCCS1(=O)=O)C(=O)[O-] ZINC000655865003 411974891 /nfs/dbraw/zinc/97/48/91/411974891.db2.gz CGOYIUIHXBGEHG-VIFPVBQESA-N -1 0 307.372 -0.568 20 0 DBADRM C[C@@H](CNC(=O)NCC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000655867551 411974942 /nfs/dbraw/zinc/97/49/42/411974942.db2.gz XVQYEHLZMMECAQ-VIFPVBQESA-N -1 0 321.399 -0.322 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000655860417 411974992 /nfs/dbraw/zinc/97/49/92/411974992.db2.gz IFAZRNGDGUDXLX-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@H](CNC(=O)NCC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000655867550 411975294 /nfs/dbraw/zinc/97/52/94/411975294.db2.gz XVQYEHLZMMECAQ-SECBINFHSA-N -1 0 321.399 -0.322 20 0 DBADRM COCCN1CCCN(C(=O)NC[C@@H](C)C(=O)[O-])CC1=O ZINC000655883496 411975850 /nfs/dbraw/zinc/97/58/50/411975850.db2.gz AINCBBAFDMHCKM-SNVBAGLBSA-N -1 0 301.343 -0.403 20 0 DBADRM C[C@@H](CNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)C(=O)[O-] ZINC000655888721 411975944 /nfs/dbraw/zinc/97/59/44/411975944.db2.gz NLQKYNUCLJUVEQ-VHSXEESVSA-N -1 0 321.399 -0.322 20 0 DBADRM C[C@H](CNC(=O)N1CCN(c2nccn(C)c2=O)CC1)C(=O)[O-] ZINC000655884711 411976150 /nfs/dbraw/zinc/97/61/50/411976150.db2.gz JRDKFOJVUPKDOH-SNVBAGLBSA-N -1 0 323.353 -0.667 20 0 DBADRM C[C@@H](CNC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000655888901 411976248 /nfs/dbraw/zinc/97/62/48/411976248.db2.gz PDKQVKJZWMBOBS-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM COCCN1CCCN(C(=O)NC[C@H](C)C(=O)[O-])CC1=O ZINC000655883495 411976307 /nfs/dbraw/zinc/97/63/07/411976307.db2.gz AINCBBAFDMHCKM-JTQLQIEISA-N -1 0 301.343 -0.403 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CCO1 ZINC000655895459 411976352 /nfs/dbraw/zinc/97/63/52/411976352.db2.gz SZQADUHUPMMWDF-NXEZZACHSA-N -1 0 301.343 -0.500 20 0 DBADRM C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000655887495 411976520 /nfs/dbraw/zinc/97/65/20/411976520.db2.gz AILQZTNOVGYBQM-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCC1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000655877295 411976560 /nfs/dbraw/zinc/97/65/60/411976560.db2.gz WHLACGLQJQMPLS-SNVBAGLBSA-N -1 0 321.399 -0.466 20 0 DBADRM C[C@@H](CNC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000655879376 411976623 /nfs/dbraw/zinc/97/66/23/411976623.db2.gz QCHUBZGWBDENAK-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(C(N)=O)n1)C(=O)[O-] ZINC000655948413 411980859 /nfs/dbraw/zinc/98/08/59/411980859.db2.gz WWGWCEKVVIHGMQ-QMMMGPOBSA-N -1 0 322.321 -0.408 20 0 DBADRM CC[C@@H](C)NC(=O)CCNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655980504 411981494 /nfs/dbraw/zinc/98/14/94/411981494.db2.gz HBLITTJBDQWOFO-DTWKUNHWSA-N -1 0 301.343 -0.756 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1cccc2c1OCO2)C(=O)[O-] ZINC000655981563 411981522 /nfs/dbraw/zinc/98/15/22/411981522.db2.gz NTADSFDCJMDVQN-MRVPVSSYSA-N -1 0 308.290 -0.132 20 0 DBADRM Cc1nccn1C[C@H](C)CNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655979895 411981866 /nfs/dbraw/zinc/98/18/66/411981866.db2.gz BZJNFBDRCQZNPX-ZJUUUORDSA-N -1 0 310.354 -0.219 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)Cn1ccnc1)C(=O)[O-] ZINC000655980423 411982017 /nfs/dbraw/zinc/98/20/17/411982017.db2.gz FDNOOXAIMGSRLY-GHMZBOCLSA-N -1 0 310.354 -0.139 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655982947 411982034 /nfs/dbraw/zinc/98/20/34/411982034.db2.gz BOMBOEBBTWVXED-LLVKDONJSA-N -1 0 310.354 -0.219 20 0 DBADRM COc1cc(CCNC(=O)C(=O)NC[C@H](C)C(=O)[O-])ccc1O ZINC000655977690 411982314 /nfs/dbraw/zinc/98/23/14/411982314.db2.gz ITAQAKLCMIITDF-VIFPVBQESA-N -1 0 324.333 -0.104 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCNC(=O)C1CC1)C(=O)[O-] ZINC000655977442 411982392 /nfs/dbraw/zinc/98/23/92/411982392.db2.gz HWDZGJRHIAAODX-SNVBAGLBSA-N -1 0 313.354 -0.898 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)Cn1cncn1)C(=O)[O-] ZINC000655983088 411982486 /nfs/dbraw/zinc/98/24/86/411982486.db2.gz FMQFOGZYZSNWPN-ZJUUUORDSA-N -1 0 311.342 -0.744 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)Cn1cncn1)C(=O)[O-] ZINC000655983086 411982526 /nfs/dbraw/zinc/98/25/26/411982526.db2.gz FMQFOGZYZSNWPN-UWVGGRQHSA-N -1 0 311.342 -0.744 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655992764 411982995 /nfs/dbraw/zinc/98/29/95/411982995.db2.gz GMEGTIXLUSYHQM-VIFPVBQESA-N -1 0 301.343 -0.946 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655990540 411983366 /nfs/dbraw/zinc/98/33/66/411983366.db2.gz FHSBQNGYXYFDGT-OPRDCNLKSA-N -1 0 302.327 -0.867 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H]2CCCCN2C1=O)C(=O)[O-] ZINC000655996904 411983480 /nfs/dbraw/zinc/98/34/80/411983480.db2.gz HJUWWHWIGOBVCN-BBBLOLIVSA-N -1 0 311.338 -0.907 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655987677 411983553 /nfs/dbraw/zinc/98/35/53/411983553.db2.gz MFAJBVQNWVGCQC-LPEHRKFASA-N -1 0 302.327 -0.867 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCCO[C@@H]1CCOC1)C(=O)[O-] ZINC000655991354 411983603 /nfs/dbraw/zinc/98/36/03/411983603.db2.gz LUGFIWGQFRUBPN-NXEZZACHSA-N -1 0 302.327 -0.865 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1)C(=O)[O-] ZINC000655986599 411983706 /nfs/dbraw/zinc/98/37/06/411983706.db2.gz GICNVDHXNSGJNI-WDEREUQCSA-N -1 0 322.365 -0.144 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCc1cnc(C2CC2)nc1)C(=O)[O-] ZINC000655992831 411983881 /nfs/dbraw/zinc/98/38/81/411983881.db2.gz HQEVFGWSHAEXOW-VIFPVBQESA-N -1 0 320.349 -0.150 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)Cc1cnc(N(C)C)nc1)C(=O)[O-] ZINC000656005437 411984975 /nfs/dbraw/zinc/98/49/75/411984975.db2.gz OJDZVVHEFRTIFW-SECBINFHSA-N -1 0 323.353 -0.662 20 0 DBADRM CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656002007 411985143 /nfs/dbraw/zinc/98/51/43/411985143.db2.gz RIZIMCCUSRPOKS-VHSXEESVSA-N -1 0 313.354 -0.707 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC(c2ncc[nH]2)CC1)C(=O)[O-] ZINC000656004175 411985416 /nfs/dbraw/zinc/98/54/16/411985416.db2.gz FVXLTTYTOQXMAY-SECBINFHSA-N -1 0 308.338 -0.047 20 0 DBADRM COCCOC[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000656003801 411985465 /nfs/dbraw/zinc/98/54/65/411985465.db2.gz XSEYNZUUPFCIRL-MNOVXSKESA-N -1 0 316.354 -0.665 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O)C(=O)[O-] ZINC000655998941 411985607 /nfs/dbraw/zinc/98/56/07/411985607.db2.gz YYCUDBCGWDUAGC-BDAKNGLRSA-N -1 0 313.354 -0.661 20 0 DBADRM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656005425 411985670 /nfs/dbraw/zinc/98/56/70/411985670.db2.gz ZUVXMKJCNLBWNZ-DTWKUNHWSA-N -1 0 315.370 -0.415 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@H](N2CCCC2=O)C1)C(=O)[O-] ZINC000656001970 411985739 /nfs/dbraw/zinc/98/57/39/411985739.db2.gz QPEAXNFGCAHYNA-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@@H](c2nccn2C)C1)C(=O)[O-] ZINC000656001389 411985826 /nfs/dbraw/zinc/98/58/26/411985826.db2.gz GTJMSKDINWXNCQ-NXEZZACHSA-N -1 0 308.338 -0.427 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](CO)C1)C(=O)[O-] ZINC000656011209 411986739 /nfs/dbraw/zinc/98/67/39/411986739.db2.gz WLDSIICBYKQQLV-MNOVXSKESA-N -1 0 300.355 -0.310 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](CF)C1)C(=O)[O-] ZINC000656008731 411986743 /nfs/dbraw/zinc/98/67/43/411986743.db2.gz YNFXFBIUGCUUIJ-UWVGGRQHSA-N -1 0 304.318 -0.344 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1C[C@H](O)C[C@H](C)C1)C(=O)[O-] ZINC000656008751 411986866 /nfs/dbraw/zinc/98/68/66/411986866.db2.gz YVYFAEIOCHCWTI-HBNTYKKESA-N -1 0 300.355 -0.311 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N(C)CCc1cnccn1)C(=O)[O-] ZINC000656011878 411986899 /nfs/dbraw/zinc/98/68/99/411986899.db2.gz TWWUPJBRUSEXDE-LBPRGKRZSA-N -1 0 322.365 -0.050 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@](F)(CO)C1)C(=O)[O-] ZINC000656008461 411987002 /nfs/dbraw/zinc/98/70/02/411987002.db2.gz JGRIQVOASMZMQP-ZANVPECISA-N -1 0 304.318 -0.608 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCC[C@@H]1O)C(=O)[O-] ZINC000656006960 411987072 /nfs/dbraw/zinc/98/70/72/411987072.db2.gz ZHQICOVAJSUCDY-VWYCJHECSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCOC1)C(=O)[O-] ZINC000656011869 411987117 /nfs/dbraw/zinc/98/71/17/411987117.db2.gz SZMQCAXRJBCJKC-MNOVXSKESA-N -1 0 300.355 -0.046 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCn2ncnc2C1)C(=O)[O-] ZINC000656011062 411987175 /nfs/dbraw/zinc/98/71/75/411987175.db2.gz IHULZSRQXKXKQL-SECBINFHSA-N -1 0 309.326 -0.907 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@]1(C)CO)C(=O)[O-] ZINC000656011950 411987406 /nfs/dbraw/zinc/98/74/06/411987406.db2.gz VSGNDIJOKHDOAL-HZMBPMFUSA-N -1 0 300.355 -0.167 20 0 DBADRM COCCO[C@H]1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000656006996 411987411 /nfs/dbraw/zinc/98/74/11/411987411.db2.gz ZXKNBCSCHWSBPB-UWVGGRQHSA-N -1 0 302.327 -0.913 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000656014699 411989135 /nfs/dbraw/zinc/98/91/35/411989135.db2.gz ZGTNRJNHLFFBFI-VIFPVBQESA-N -1 0 315.370 -0.652 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])cn1C ZINC000656162809 411997019 /nfs/dbraw/zinc/99/70/19/411997019.db2.gz JBFGAFVTOLYRFN-QMMMGPOBSA-N -1 0 321.330 -0.524 20 0 DBADRM C[C@H](O)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)CC2)C(=O)[O-] ZINC000656155968 411997100 /nfs/dbraw/zinc/99/71/00/411997100.db2.gz MVHUNDSUGQJGLO-JVXZTZIISA-N -1 0 313.331 -0.072 20 0 DBADRM CO[C@@H](C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[O-])C1CC1 ZINC000656168131 411997125 /nfs/dbraw/zinc/99/71/25/411997125.db2.gz CZYNYPXHKDZCTP-MNOVXSKESA-N -1 0 317.367 -0.033 20 0 DBADRM O=C([O-])[C@@H](CCF)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000656162085 411997188 /nfs/dbraw/zinc/99/71/88/411997188.db2.gz BHCDQAHCEUHTRT-PSASIEDQSA-N -1 0 321.330 -0.064 20 0 DBADRM CC1(C)CN(S(=O)(=O)NCc2nocc2C(=O)[O-])CCO1 ZINC000656165080 411997400 /nfs/dbraw/zinc/99/74/00/411997400.db2.gz LQQNGDUXVNXSJY-UHFFFAOYSA-N -1 0 319.339 -0.182 20 0 DBADRM COc1cccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1F ZINC000656156779 411997453 /nfs/dbraw/zinc/99/74/53/411997453.db2.gz SQVLDRXOEHIVAW-ZETCQYMHSA-N -1 0 307.299 -0.052 20 0 DBADRM Cc1c(S(=O)(=O)NCc2nocc2C(=O)[O-])cnn1C ZINC000656164223 411997524 /nfs/dbraw/zinc/99/75/24/411997524.db2.gz AKNAJHOPTZVAGW-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM COc1cccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1F ZINC000656156070 411997586 /nfs/dbraw/zinc/99/75/86/411997586.db2.gz SQVLDRXOEHIVAW-SSDOTTSWSA-N -1 0 307.299 -0.052 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])cc1C(N)=O ZINC000656163370 411997625 /nfs/dbraw/zinc/99/76/25/411997625.db2.gz WJKGPHUATCBLAW-ZETCQYMHSA-N -1 0 307.303 -0.785 20 0 DBADRM CCN(CC(=O)[O-])C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000656233608 411998752 /nfs/dbraw/zinc/99/87/52/411998752.db2.gz FFWWOVWPFHRXNG-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](C[C@H](OC)C1CC1)C(=O)[O-] ZINC000656169378 411999592 /nfs/dbraw/zinc/99/95/92/411999592.db2.gz OGMBIFNTVZNAPG-QWRGUYRKSA-N -1 0 324.399 -0.333 20 0 DBADRM CC(C)(C)n1nnc(CNC(=O)Cn2cc(C(=O)[O-])nn2)n1 ZINC000656246517 412000101 /nfs/dbraw/zinc/00/01/01/412000101.db2.gz OJRSMJHHXHXMRT-UHFFFAOYSA-N -1 0 308.302 -0.966 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2cnnn2C)C[C@H]1CC(=O)[O-] ZINC000656521614 412007049 /nfs/dbraw/zinc/00/70/49/412007049.db2.gz OMMBZGSXTPDWPY-RKDXNWHRSA-N -1 0 302.356 -0.064 20 0 DBADRM C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)NCc1nc(C(N)=O)cs1 ZINC000656486135 412007404 /nfs/dbraw/zinc/00/74/04/412007404.db2.gz UHRYAUFXYHKIMV-RITPCOANSA-N -1 0 301.324 -0.264 20 0 DBADRM COC1CCN(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)CC1 ZINC000656512329 412007432 /nfs/dbraw/zinc/00/74/32/412007432.db2.gz IKNPEYAXNFVYGX-VHSXEESVSA-N -1 0 304.368 -0.039 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-] ZINC000656516573 412007543 /nfs/dbraw/zinc/00/75/43/412007543.db2.gz DOVTYDLQZOVNEI-SNVBAGLBSA-N -1 0 310.372 -0.579 20 0 DBADRM O=C([O-])[C@@]1(CC(=O)NCC[C@]2(O)CCCOC2)CCOC1 ZINC000656483723 412007808 /nfs/dbraw/zinc/00/78/08/412007808.db2.gz DCNVMBBBSUZCMS-ZIAGYGMSSA-N -1 0 301.339 -0.084 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1C ZINC000656561185 412008532 /nfs/dbraw/zinc/00/85/32/412008532.db2.gz DCAANOCFDHWJCH-BXKDBHETSA-N -1 0 315.351 -0.550 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC000656562417 412009509 /nfs/dbraw/zinc/00/95/09/412009509.db2.gz JFBSGMWSHFEMKE-HBNTYKKESA-N -1 0 323.367 -0.847 20 0 DBADRM Cn1ccc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000656564202 412009595 /nfs/dbraw/zinc/00/95/95/412009595.db2.gz FSIXPCXZCSWAFE-LDYMZIIASA-N -1 0 301.324 -0.858 20 0 DBADRM Cc1cc(CS(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)no1 ZINC000656562941 412009601 /nfs/dbraw/zinc/00/96/01/412009601.db2.gz WYGZFJIQXAJTJI-BXKDBHETSA-N -1 0 316.335 -0.154 20 0 DBADRM COC[C@](C)(NC(=O)NC[C@@H](OC)[C@H]1CCOC1)C(=O)[O-] ZINC000656586326 412010068 /nfs/dbraw/zinc/01/00/68/412010068.db2.gz NLMWGIHKMKPXII-CWSCBRNRSA-N -1 0 304.343 -0.173 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)CCC[C@@H]2CCOC2)CCOC1 ZINC000656564440 412011222 /nfs/dbraw/zinc/01/12/22/412011222.db2.gz NDGBINIQOWQHAL-ZYHUDNBSSA-N -1 0 307.368 -0.034 20 0 DBADRM CN(C[C@@H]1COCCO1)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC000656720761 412011888 /nfs/dbraw/zinc/01/18/88/412011888.db2.gz BEENCCQRCNGLBC-SECBINFHSA-N -1 0 316.335 -0.184 20 0 DBADRM CN(C[C@H]1COCCO1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000656721020 412011893 /nfs/dbraw/zinc/01/18/93/412011893.db2.gz INCRHVGMFKOEDX-UWVGGRQHSA-N -1 0 308.356 -0.873 20 0 DBADRM C[C@@]12COC[C@H]1CN(S(=O)(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC000656732411 412012010 /nfs/dbraw/zinc/01/20/10/412012010.db2.gz XNEHEMJJCMSWLF-DGCLKSJQSA-N -1 0 318.395 -0.004 20 0 DBADRM C[C@@H]1CN(c2ncc(C(=O)[O-])cn2)CCN1S(C)(=O)=O ZINC000656782514 412012106 /nfs/dbraw/zinc/01/21/06/412012106.db2.gz FXKYVMFKNZXVMX-MRVPVSSYSA-N -1 0 300.340 -0.355 20 0 DBADRM C[C@]12COC[C@H]1CN(S(=O)(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC000656732414 412012305 /nfs/dbraw/zinc/01/23/05/412012305.db2.gz XNEHEMJJCMSWLF-YPMHNXCESA-N -1 0 318.395 -0.004 20 0 DBADRM CCn1cc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])nn1 ZINC000656722052 412012314 /nfs/dbraw/zinc/01/23/14/412012314.db2.gz OKUUJZKVLLCLTO-VIFPVBQESA-N -1 0 303.344 -0.819 20 0 DBADRM C[C@]12COC[C@H]1CN(S(=O)(=O)c1n[nH]cc1C(=O)[O-])C2 ZINC000656733033 412012531 /nfs/dbraw/zinc/01/25/31/412012531.db2.gz ZKXWWVNRMNJWIH-HQJQHLMTSA-N -1 0 301.324 -0.235 20 0 DBADRM COC[C@@H](CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])OC ZINC000656718963 412012545 /nfs/dbraw/zinc/01/25/45/412012545.db2.gz XNNYOMSBNBGLRQ-ZJUUUORDSA-N -1 0 310.372 -0.579 20 0 DBADRM CO[C@H](CNS(=O)(=O)N(C)CCC(=O)[O-])[C@@H]1CCOC1 ZINC000656719580 412012548 /nfs/dbraw/zinc/01/25/48/412012548.db2.gz ZDFISYSBKPMCBX-NXEZZACHSA-N -1 0 310.372 -0.721 20 0 DBADRM C[C@@]12COC[C@@H]1CN(S(=O)(=O)c1n[nH]cc1C(=O)[O-])C2 ZINC000656733036 412012561 /nfs/dbraw/zinc/01/25/61/412012561.db2.gz ZKXWWVNRMNJWIH-WRWORJQWSA-N -1 0 301.324 -0.235 20 0 DBADRM CN(C[C@H]1COCCO1)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000656720969 412012586 /nfs/dbraw/zinc/01/25/86/412012586.db2.gz GWWKBIKLVRPCSL-ZETCQYMHSA-N -1 0 322.364 -0.123 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])cn1 ZINC000656715730 412012618 /nfs/dbraw/zinc/01/26/18/412012618.db2.gz BGNGHAUSPYWBKX-SCZZXKLOSA-N -1 0 302.308 -0.389 20 0 DBADRM CN(C[C@H]1COCCO1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000656720950 412012637 /nfs/dbraw/zinc/01/26/37/412012637.db2.gz FSUNYZJQOUECSO-NSHDSACASA-N -1 0 322.383 -0.625 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)C1(C(=O)[O-])CC=CC1 ZINC000656851316 412013617 /nfs/dbraw/zinc/01/36/17/412013617.db2.gz JIERXZBGAJNDRS-UHFFFAOYSA-N -1 0 316.379 -0.099 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000406041753 411953301 /nfs/dbraw/zinc/95/33/01/411953301.db2.gz PIJGUXOYBVUZMM-VHSXEESVSA-N -1 0 304.368 -0.361 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)n1 ZINC000659055681 412076843 /nfs/dbraw/zinc/07/68/43/412076843.db2.gz HZZPROXINFFJQJ-VIFPVBQESA-N -1 0 324.337 -0.064 20 0 DBADRM CC(C)NC(=O)CCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659050512 412077399 /nfs/dbraw/zinc/07/73/99/412077399.db2.gz LPXJZFXKSPGOMR-UHFFFAOYSA-N -1 0 322.321 -0.251 20 0 DBADRM COCCN(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659050686 412077404 /nfs/dbraw/zinc/07/74/04/412077404.db2.gz BPIBJTDFUKQZBX-UHFFFAOYSA-N -1 0 312.326 -0.254 20 0 DBADRM CCC[C@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C(N)=O ZINC000659058721 412076442 /nfs/dbraw/zinc/07/64/42/412076442.db2.gz GDOFDGVEHYHQHZ-QMMMGPOBSA-N -1 0 308.294 -0.512 20 0 DBADRM O=C(Cn1nnc2ccccc2c1=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000659243360 412084250 /nfs/dbraw/zinc/08/42/50/412084250.db2.gz PGTWJHBYKQLZTE-KYZUINATSA-N -1 0 302.290 -0.229 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000659063189 412078307 /nfs/dbraw/zinc/07/83/07/412078307.db2.gz URDFEWUUQRDJER-SSDOTTSWSA-N -1 0 305.290 -0.500 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC000659065990 412078432 /nfs/dbraw/zinc/07/84/32/412078432.db2.gz GBAOLWNYRUBRJA-YMTOWFKASA-N -1 0 322.321 -0.599 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O)C(=O)[O-] ZINC000659062183 412078753 /nfs/dbraw/zinc/07/87/53/412078753.db2.gz BZQKHGXAYDZTOA-MRVPVSSYSA-N -1 0 319.317 -0.252 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccccc1OCCC(N)=O)C(=O)[O-] ZINC000659063361 412078787 /nfs/dbraw/zinc/07/87/87/412078787.db2.gz XPFRIWJHPBDQFY-MRVPVSSYSA-N -1 0 323.305 -0.531 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC000659117733 412081298 /nfs/dbraw/zinc/08/12/98/412081298.db2.gz LPZCQKQPYHUUAT-JTQLQIEISA-N -1 0 309.326 -0.498 20 0 DBADRM COC[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C1CCOCC1 ZINC000659192354 412081318 /nfs/dbraw/zinc/08/13/18/412081318.db2.gz LMOWSVMDQSVPLG-LLVKDONJSA-N -1 0 312.326 -0.466 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C2(n3cnnn3)CC2)n1 ZINC000659202225 412081426 /nfs/dbraw/zinc/08/14/26/412081426.db2.gz HZVFVVSKVUKUSA-UHFFFAOYSA-N -1 0 305.298 -0.183 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1ccn2nnnc2c1)[C@H]1CCCOC1 ZINC000659147192 412081550 /nfs/dbraw/zinc/08/15/50/412081550.db2.gz SSCDQPJQIFZNOZ-GXSJLCMTSA-N -1 0 305.294 -0.266 20 0 DBADRM C[C@@H]1CN(C(=O)C2(C(=O)[O-])CCC2)CCN1S(C)(=O)=O ZINC000659199229 412081593 /nfs/dbraw/zinc/08/15/93/412081593.db2.gz PSDMHXMNQMVTIX-SECBINFHSA-N -1 0 304.368 -0.266 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000659170183 412081660 /nfs/dbraw/zinc/08/16/60/412081660.db2.gz QXEBMGRVYVMTRT-CMPLNLGQSA-N -1 0 318.285 -0.359 20 0 DBADRM CCCC[C@@H](NC(=O)C1(n2cnnn2)CCOCC1)C(=O)[O-] ZINC000659143921 412081682 /nfs/dbraw/zinc/08/16/82/412081682.db2.gz XECHPHNZGNUUDE-SNVBAGLBSA-N -1 0 311.342 -0.062 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)nn1 ZINC000659212203 412081755 /nfs/dbraw/zinc/08/17/55/412081755.db2.gz WRZDNXZGOXVOSC-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H]1CN(C(=O)C2CC(C(=O)[O-])C2)CCN1S(C)(=O)=O ZINC000659197449 412082054 /nfs/dbraw/zinc/08/20/54/412082054.db2.gz DDEXQKADLPMSSS-XNWIYYODSA-N -1 0 304.368 -0.411 20 0 DBADRM CN1CC[C@@H](C(=O)NC[C@@H](CC(=O)[O-])C2CC2)S1(=O)=O ZINC000659206387 412082071 /nfs/dbraw/zinc/08/20/71/412082071.db2.gz DTPAUPYJGGCMNT-ZJUUUORDSA-N -1 0 304.368 -0.363 20 0 DBADRM COC[C@H](OC)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000659162589 412082144 /nfs/dbraw/zinc/08/21/44/412082144.db2.gz AOYMVPNUCIGKEU-ONGXEEELSA-N -1 0 312.326 -0.199 20 0 DBADRM COCC(COC)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659402918 412086703 /nfs/dbraw/zinc/08/67/03/412086703.db2.gz AXGIVJLLOWYJAY-NOZJJQNGSA-N -1 0 302.327 -0.610 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000659410100 412086727 /nfs/dbraw/zinc/08/67/27/412086727.db2.gz ONZPBTSJZXIQRC-SGIHWFKDSA-N -1 0 320.367 -0.649 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000659413077 412086867 /nfs/dbraw/zinc/08/68/67/412086867.db2.gz OMLMHJJWIFYQPA-UWVGGRQHSA-N -1 0 320.367 -0.695 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCCCC(=O)[O-] ZINC000659408300 412087007 /nfs/dbraw/zinc/08/70/07/412087007.db2.gz SCLXEMXTGSMJQS-IUCAKERBSA-N -1 0 308.356 -0.648 20 0 DBADRM CCN1CC[C@H](NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1=O ZINC000659402245 412087134 /nfs/dbraw/zinc/08/71/34/412087134.db2.gz BUEXNUDNNASQCS-ISTVAULSSA-N -1 0 311.338 -0.650 20 0 DBADRM C[C@H](CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC000659400035 412087206 /nfs/dbraw/zinc/08/72/06/412087206.db2.gz MGULVKOKYPCORG-KBVBSXBZSA-N -1 0 320.367 -0.838 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)N[C@H]1CCn3ccnc3C1)C2 ZINC000659401570 412087305 /nfs/dbraw/zinc/08/73/05/412087305.db2.gz MBUUYQOYACHDOS-JRPNMDOOSA-N -1 0 320.349 -0.060 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCCCC(=O)[O-] ZINC000659408301 412087793 /nfs/dbraw/zinc/08/77/93/412087793.db2.gz SCLXEMXTGSMJQS-RKDXNWHRSA-N -1 0 308.356 -0.648 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C1CCC1 ZINC000659653796 412098230 /nfs/dbraw/zinc/09/82/30/412098230.db2.gz WPZLYFMDKLOAED-ZVWUFJHRSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CCC1 ZINC000659654185 412098489 /nfs/dbraw/zinc/09/84/89/412098489.db2.gz ZYMINAWSEVVEHN-VIFPVBQESA-N -1 0 323.349 -0.763 20 0 DBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000659652638 412098994 /nfs/dbraw/zinc/09/89/94/412098994.db2.gz LVKNJUMGXHQYGM-PJXYFTJBSA-N -1 0 310.350 -0.149 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1C[C@H]2COC[C@@]2(C)C1)C(=O)[O-] ZINC000659660496 412099920 /nfs/dbraw/zinc/09/99/20/412099920.db2.gz BNQQPYWYDJLPKM-ZIBATOQPSA-N -1 0 312.366 -0.046 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)nn1 ZINC000659664085 412100003 /nfs/dbraw/zinc/10/00/03/412100003.db2.gz PEOZQLZUBWZPOH-ZJUUUORDSA-N -1 0 323.353 -0.517 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NC[C@@H]1C[C@H]1C1CC1)C2 ZINC000659656980 412100041 /nfs/dbraw/zinc/10/00/41/412100041.db2.gz QKAVKOCOVONTBJ-MEQWQQMJSA-N -1 0 322.361 -0.292 20 0 DBADRM Cc1ccncc1CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000659664574 412100094 /nfs/dbraw/zinc/10/00/94/412100094.db2.gz SEZLZSXMKIBACY-LBPRGKRZSA-N -1 0 305.334 -0.018 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)nn1 ZINC000659665058 412100247 /nfs/dbraw/zinc/10/02/47/412100247.db2.gz UVCSAUINONOAMH-MWLCHTKSSA-N -1 0 323.353 -0.517 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC(=O)N(C)CC1)C(=O)[O-] ZINC000659663416 412100561 /nfs/dbraw/zinc/10/05/61/412100561.db2.gz YFMWRCDSBUVHJY-JTQLQIEISA-N -1 0 313.354 -0.850 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1C[C@H]1C1CC1)C2 ZINC000659656074 412100788 /nfs/dbraw/zinc/10/07/88/412100788.db2.gz HQMUUJCSBDCALU-JNIYBQFBSA-N -1 0 308.334 -0.539 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CCO1 ZINC000659669447 412101375 /nfs/dbraw/zinc/10/13/75/412101375.db2.gz HMHODCQMVVQNAN-JTQLQIEISA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCCc2ccco2)CCO1 ZINC000659668714 412101422 /nfs/dbraw/zinc/10/14/22/412101422.db2.gz AFHLUGJGEQICAW-LLVKDONJSA-N -1 0 310.306 -0.360 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)CCC1 ZINC000659670149 412101433 /nfs/dbraw/zinc/10/14/33/412101433.db2.gz ISTJLMNSFSBONG-AWEZNQCLSA-N -1 0 323.349 -0.904 20 0 DBADRM C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659669935 412101485 /nfs/dbraw/zinc/10/14/85/412101485.db2.gz ZICSTWPJXJXXFK-GHMZBOCLSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCOCC3(CC3)C2)CCC1 ZINC000659670278 412101516 /nfs/dbraw/zinc/10/15/16/412101516.db2.gz JYFJMSUWUWBFHF-UHFFFAOYSA-N -1 0 310.350 -0.004 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@@](F)(CO)C2)CCC1 ZINC000659669707 412101656 /nfs/dbraw/zinc/10/16/56/412101656.db2.gz DDEICPCIRBLQET-ZDUSSCGKSA-N -1 0 302.302 -0.710 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659669648 412101825 /nfs/dbraw/zinc/10/18/25/412101825.db2.gz BMVGTHVMRUQJSX-JTQLQIEISA-N -1 0 314.338 -0.769 20 0 DBADRM C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659669937 412101946 /nfs/dbraw/zinc/10/19/46/412101946.db2.gz ZICSTWPJXJXXFK-MNOVXSKESA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CNC(=O)c1ccccc1)C2 ZINC000659776250 412122405 /nfs/dbraw/zinc/12/24/05/412122405.db2.gz IFDXXBLIJZAJRG-MLGOLLRUSA-N -1 0 318.329 -0.024 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1)C(=O)[O-] ZINC000659767118 412122647 /nfs/dbraw/zinc/12/26/47/412122647.db2.gz NQFKEKNJCXXJFB-JIMOISOXSA-N -1 0 321.333 -0.183 20 0 DBADRM CC(=O)NCCN(C(=O)c1cnc2n1CCC2)[C@H](C)C(=O)[O-] ZINC000659761277 412122965 /nfs/dbraw/zinc/12/29/65/412122965.db2.gz DXNLBIUCCOBLDR-SECBINFHSA-N -1 0 308.338 -0.119 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)CC1(n2cnnn2)CCOCC1 ZINC000659766216 412123304 /nfs/dbraw/zinc/12/33/04/412123304.db2.gz JSMDOVPCDNSTND-JTQLQIEISA-N -1 0 311.342 -0.110 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659782731 412123916 /nfs/dbraw/zinc/12/39/16/412123916.db2.gz FRWSSVQWOORCRD-YMTOWFKASA-N -1 0 323.353 -0.470 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)c2cnc(C(=O)[O-])cn2)CS1(=O)=O ZINC000659783375 412124294 /nfs/dbraw/zinc/12/42/94/412124294.db2.gz QDWGPTXHPVUMAL-JGVFFNPUSA-N -1 0 313.335 -0.130 20 0 DBADRM CC[C@@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)N1CCCC1=O ZINC000659779245 412124979 /nfs/dbraw/zinc/12/49/79/412124979.db2.gz FJKVREFHVLGSDU-JRPNMDOOSA-N -1 0 310.350 -0.053 20 0 DBADRM CO[C@@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1cnn(C)c1 ZINC000659779419 412125122 /nfs/dbraw/zinc/12/51/22/412125122.db2.gz APEYYOASHCKNPP-JTNHKYCSSA-N -1 0 309.322 -0.333 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C1(C(=O)NC3CC3)CCC1)C2 ZINC000659779153 412125252 /nfs/dbraw/zinc/12/52/52/412125252.db2.gz ICRYHGAWWWRPTL-QLJPJBMISA-N -1 0 322.361 -0.005 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 ZINC000659782449 412125381 /nfs/dbraw/zinc/12/53/81/412125381.db2.gz AQWGMYOWEXESEB-VDDIYKPWSA-N -1 0 303.336 -0.877 20 0 DBADRM Nc1c(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)ncnc1-n1cccn1 ZINC000662898477 412209073 /nfs/dbraw/zinc/20/90/73/412209073.db2.gz UUFSIVJLZFBURU-YIZRAAEISA-N -1 0 304.310 -0.120 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3CCC[C@@H]31)C2 ZINC000662903740 412210072 /nfs/dbraw/zinc/21/00/72/412210072.db2.gz GHUUBYMOQXMTJA-MEQWQQMJSA-N -1 0 322.361 -0.053 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](Nc2ccnc(N3CCOCC3)n2)[C@@H](O)C1 ZINC000662897051 412210130 /nfs/dbraw/zinc/21/01/30/412210130.db2.gz MVAHRBYEMKTWRR-AXFHLTTASA-N -1 0 308.338 -0.051 20 0 DBADRM CC1=C[C@@H](C)CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662908460 412210764 /nfs/dbraw/zinc/21/07/64/412210764.db2.gz YGNPUOPQECSAOD-NSODJVPESA-N -1 0 322.361 -0.029 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@](O)(C2CC2)C1)C(=O)[O-] ZINC000662913482 412211087 /nfs/dbraw/zinc/21/10/87/412211087.db2.gz LKEQBBVVZXAMKE-MEBBXXQBSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2cn(C)nn2)C1 ZINC000662910514 412211126 /nfs/dbraw/zinc/21/11/26/412211126.db2.gz ORMJGAFVSZQCSV-VHSXEESVSA-N -1 0 323.353 -0.657 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCc3nccnc3C2)C1 ZINC000662913077 412211537 /nfs/dbraw/zinc/21/15/37/412211537.db2.gz JRHDIWVQZOQSDX-VIFPVBQESA-N -1 0 304.306 -0.706 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCC[C@@](O)(C3CC3)C2)C1 ZINC000662914688 412212069 /nfs/dbraw/zinc/21/20/69/412212069.db2.gz UCBPRUHSYUETGR-BONVTDFDSA-N -1 0 310.350 -0.317 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000662914426 412212389 /nfs/dbraw/zinc/21/23/89/412212389.db2.gz RJADWRBELFMIOX-SNVBAGLBSA-N -1 0 309.326 -0.940 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CCF)C2)CCO1 ZINC000662914957 412212706 /nfs/dbraw/zinc/21/27/06/412212706.db2.gz VDPMDFVPGWLYJO-MNOVXSKESA-N -1 0 316.329 -0.103 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@@H](C)N(C)Cc2n[n-]c(=O)o2)CC1 ZINC000660851118 412148127 /nfs/dbraw/zinc/14/81/27/412148127.db2.gz XVUOKWMFYQDOSC-SECBINFHSA-N -1 0 311.342 -0.714 20 0 DBADRM NC(=O)[C@H]1Cc2ccccc2N([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662202647 412172544 /nfs/dbraw/zinc/17/25/44/412172544.db2.gz NZKZNCQLBXXBCQ-AAEUAGOBSA-N -1 0 317.345 -0.164 20 0 DBADRM Cc1cccc([C@H]2C(=O)NCCN2CC(=O)NCC(=O)[O-])c1 ZINC000662229786 412173299 /nfs/dbraw/zinc/17/32/99/412173299.db2.gz MRMHHHTULVGYKO-AWEZNQCLSA-N -1 0 305.334 -0.331 20 0 DBADRM COCCN1C[C@H](C(=O)NC2(C(=O)[O-])CCOCC2)CC1=O ZINC000317038468 412261860 /nfs/dbraw/zinc/26/18/60/412261860.db2.gz UMYXPFXZEPPXJZ-SNVBAGLBSA-N -1 0 314.338 -0.769 20 0 DBADRM CC(C)[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663022607 412224209 /nfs/dbraw/zinc/22/42/09/412224209.db2.gz LKXBNRHJMPVHCG-BDAKNGLRSA-N -1 0 307.372 -0.873 20 0 DBADRM COCCn1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1=O ZINC000663026522 412224261 /nfs/dbraw/zinc/22/42/61/412224261.db2.gz IFUJEMBTUUPFEE-NSHDSACASA-N -1 0 310.306 -0.580 20 0 DBADRM C[C@@](O)(CNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1)C(=O)[O-] ZINC000663028274 412224354 /nfs/dbraw/zinc/22/43/54/412224354.db2.gz YTOZJTSIFTYUQS-HUUCEWRRSA-N -1 0 306.318 -0.604 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N1CCOC[C@@H]1C(=O)[O-])n1cccn1 ZINC000663027302 412224425 /nfs/dbraw/zinc/22/44/25/412224425.db2.gz MKLHIYMBGOQZCY-GHMZBOCLSA-N -1 0 324.337 -0.786 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000663028567 412224489 /nfs/dbraw/zinc/22/44/89/412224489.db2.gz XXBDNNUNXLBKNV-LLVKDONJSA-N -1 0 308.290 -0.524 20 0 DBADRM NS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC000663041234 412224511 /nfs/dbraw/zinc/22/45/11/412224511.db2.gz VZXJWDPIFXSTDJ-SCZZXKLOSA-N -1 0 319.383 -0.871 20 0 DBADRM CC(C)[C@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663022609 412224586 /nfs/dbraw/zinc/22/45/86/412224586.db2.gz LKXBNRHJMPVHCG-IUCAKERBSA-N -1 0 307.372 -0.873 20 0 DBADRM Cc1cccn2c(=O)c(C(=O)N3CCOC[C@H]3C(=O)[O-])cnc12 ZINC000663027605 412224592 /nfs/dbraw/zinc/22/45/92/412224592.db2.gz OBOHDVABLXIKSB-NSHDSACASA-N -1 0 317.301 -0.071 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663065080 412225153 /nfs/dbraw/zinc/22/51/53/412225153.db2.gz ZIXHKEFDMUJYKQ-VIFPVBQESA-N -1 0 306.384 -0.069 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)C1(C(=O)[O-])CC=CC1 ZINC000663072085 412225286 /nfs/dbraw/zinc/22/52/86/412225286.db2.gz ZYHXKCMSXKTOJJ-UHFFFAOYSA-N -1 0 304.368 -0.149 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000663070109 412225371 /nfs/dbraw/zinc/22/53/71/412225371.db2.gz LMSMIIJMVPRXAZ-GFCCVEGCSA-N -1 0 306.384 -0.069 20 0 DBADRM O=C([O-])[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000663075126 412225441 /nfs/dbraw/zinc/22/54/41/412225441.db2.gz JUHYYTHOWCLHBA-NWDGAFQWSA-N -1 0 310.350 -0.053 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CCC2)C1 ZINC000663061604 412225451 /nfs/dbraw/zinc/22/54/51/412225451.db2.gz CRANMMDWGFLXFY-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM NC(=O)CNC(=O)c1ccc(NC(=O)[C@@H](C(=O)[O-])C2CC2)cc1 ZINC000663077406 412225557 /nfs/dbraw/zinc/22/55/57/412225557.db2.gz MVJBAPIBWJLDPH-LBPRGKRZSA-N -1 0 319.317 -0.049 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC000663068875 412225602 /nfs/dbraw/zinc/22/56/02/412225602.db2.gz HGUMSPYJWKJPEI-KOLCDFICSA-N -1 0 318.395 -0.115 20 0 DBADRM CC(C)n1nccc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000663054067 412225620 /nfs/dbraw/zinc/22/56/20/412225620.db2.gz IAKKKTNVVLYQLX-SNVBAGLBSA-N -1 0 315.351 -0.212 20 0 DBADRM CO[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])C1CCC1 ZINC000663053836 412225641 /nfs/dbraw/zinc/22/56/41/412225641.db2.gz FUCBJTQVABGUGB-VHSXEESVSA-N -1 0 305.352 -0.488 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000663061663 412225678 /nfs/dbraw/zinc/22/56/78/412225678.db2.gz QMNZFBOYBHJGNI-PTRXPTGYSA-N -1 0 322.383 -0.690 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000663052949 412225685 /nfs/dbraw/zinc/22/56/85/412225685.db2.gz YSALSWIZSJTTKU-RNCFNFMXSA-N -1 0 318.395 -0.115 20 0 DBADRM CC[C@@H](NC(=O)[C@@](C)(OC)C(=O)[O-])C(=O)N1CCOCC1 ZINC000663062188 412225772 /nfs/dbraw/zinc/22/57/72/412225772.db2.gz KMWSESNMCABXAV-NOZJJQNGSA-N -1 0 302.327 -0.770 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000663111427 412226220 /nfs/dbraw/zinc/22/62/20/412226220.db2.gz OGMCEIVCJGHSKX-YGRLFVJLSA-N -1 0 310.354 -0.005 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000663105749 412226308 /nfs/dbraw/zinc/22/63/08/412226308.db2.gz KOWJGKAWFBZWSX-NSHDSACASA-N -1 0 302.308 -0.087 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)C3(C(=O)[O-])CC=CC3)CCN2C1=O ZINC000663089481 412226522 /nfs/dbraw/zinc/22/65/22/412226522.db2.gz OBKUFKZAHWARTF-SNVBAGLBSA-N -1 0 321.333 -0.098 20 0 DBADRM CCn1nc2c(cc1=O)CN(C(=O)[C@](C)(OC)C(=O)[O-])CC2 ZINC000663088565 412226584 /nfs/dbraw/zinc/22/65/84/412226584.db2.gz IWDFRCJBOHZZPU-AWEZNQCLSA-N -1 0 309.322 -0.362 20 0 DBADRM Nc1nsc(N2CCN(C(=O)[C@H](C(=O)[O-])C3CC3)CC2)n1 ZINC000663104177 412226646 /nfs/dbraw/zinc/22/66/46/412226646.db2.gz IMCLCDSJYQIOLQ-MRVPVSSYSA-N -1 0 311.367 -0.120 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000663127165 412226797 /nfs/dbraw/zinc/22/67/97/412226797.db2.gz HQJKRFQKINLWKR-KATARQTJSA-N -1 0 305.352 -0.585 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC000663126574 412226837 /nfs/dbraw/zinc/22/68/37/412226837.db2.gz ACERIESADVLITH-ZJUUUORDSA-N -1 0 314.319 -0.678 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)[C@@H](C(=O)[O-])C2CC2)cn1 ZINC000663115272 412226887 /nfs/dbraw/zinc/22/68/87/412226887.db2.gz AYEVYVAXIPSCLQ-LBPRGKRZSA-N -1 0 324.337 -0.305 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000663084405 412226923 /nfs/dbraw/zinc/22/69/23/412226923.db2.gz UNTRVGLZDLGSNB-NOZJJQNGSA-N -1 0 310.310 -0.869 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)C3(C(=O)[O-])CCC3)CCN2C1=O ZINC000663088880 412226990 /nfs/dbraw/zinc/22/69/90/412226990.db2.gz LDVBZPSOTOBJCX-VIFPVBQESA-N -1 0 309.322 -0.264 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000663084407 412226999 /nfs/dbraw/zinc/22/69/99/412226999.db2.gz UNTRVGLZDLGSNB-RNCFNFMXSA-N -1 0 310.310 -0.869 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2cncc(-n3ccnn3)c2)CCOC1 ZINC000663132617 412227236 /nfs/dbraw/zinc/22/72/36/412227236.db2.gz MBYCDLIMGNVMRI-ZDUSSCGKSA-N -1 0 303.278 -0.364 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000663141857 412227302 /nfs/dbraw/zinc/22/73/02/412227302.db2.gz RDYVZKHVQHKAQQ-GFCCVEGCSA-N -1 0 300.336 -0.348 20 0 DBADRM Cc1cccn2c(=O)c(C(=O)N[C@]3(C(=O)[O-])CCOC3)cnc12 ZINC000663132152 412227459 /nfs/dbraw/zinc/22/74/59/412227459.db2.gz JAFXTLIZTQGCOA-OAHLLOKOSA-N -1 0 317.301 -0.024 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)Cc2ccccc21 ZINC000663134374 412227477 /nfs/dbraw/zinc/22/74/77/412227477.db2.gz JAPHBHNZAHONBE-LLVKDONJSA-N -1 0 317.301 -0.251 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)NC1(C(=O)[O-])CCOCC1 ZINC000663144208 412227499 /nfs/dbraw/zinc/22/74/99/412227499.db2.gz UYVPIMRCSPRCNV-UHFFFAOYSA-N -1 0 311.338 -0.364 20 0 DBADRM C[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)CCN1S(C)(=O)=O ZINC000663131488 412227645 /nfs/dbraw/zinc/22/76/45/412227645.db2.gz CRPKDNLWTMOUKF-RNCFNFMXSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC000663144560 412227704 /nfs/dbraw/zinc/22/77/04/412227704.db2.gz LZDYBSDXOQHFQW-ZCFIWIBFSA-N -1 0 304.299 -0.190 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000663141809 412227767 /nfs/dbraw/zinc/22/77/67/412227767.db2.gz PUPCTCCTSGXKBH-UHFFFAOYSA-N -1 0 319.383 -0.727 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000663127383 412227775 /nfs/dbraw/zinc/22/77/75/412227775.db2.gz LGJRPYQWHDIFDG-HLTSFMKQSA-N -1 0 307.368 -0.339 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)NC1(C(=O)[O-])CCOCC1 ZINC000663143992 412227779 /nfs/dbraw/zinc/22/77/79/412227779.db2.gz NOLRNXNCWBZYEC-UHFFFAOYSA-N -1 0 307.368 -0.050 20 0 DBADRM Cc1nn(CC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c(=O)n1C ZINC000663138409 412227825 /nfs/dbraw/zinc/22/78/25/412227825.db2.gz JGEKYHTZZJZOEJ-UHFFFAOYSA-N -1 0 322.325 -0.455 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000663144361 412227981 /nfs/dbraw/zinc/22/79/81/412227981.db2.gz AUPAAUGTNUDCLW-UHFFFAOYSA-N -1 0 304.328 -0.812 20 0 DBADRM C[C@](NC(=O)CN1CC(=O)NC1=O)(C(=O)[O-])c1ccccc1 ZINC000663141612 412228094 /nfs/dbraw/zinc/22/80/94/412228094.db2.gz NNUPRLSLEHOACN-CQSZACIVSA-N -1 0 305.290 -0.346 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N[C@]1(C(=O)[O-])CCOC1)n1cccn1 ZINC000663131407 412228117 /nfs/dbraw/zinc/22/81/17/412228117.db2.gz QZCVNSPLFQRSFR-QMTHXVAHSA-N -1 0 324.337 -0.738 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000663141858 412228153 /nfs/dbraw/zinc/22/81/53/412228153.db2.gz RDYVZKHVQHKAQQ-LBPRGKRZSA-N -1 0 300.336 -0.348 20 0 DBADRM O=C([O-])CN1CC[C@H](N2C(=O)NC(C3CC3)(C3CC3)C2=O)C1=O ZINC000663218479 412228579 /nfs/dbraw/zinc/22/85/79/412228579.db2.gz FFDFUZBZUSJKBN-JTQLQIEISA-N -1 0 321.333 -0.218 20 0 DBADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CN1CC(=O)NC1=O ZINC000663145249 412228712 /nfs/dbraw/zinc/22/87/12/412228712.db2.gz WFSRGYPZXUYPSQ-ZDUSSCGKSA-N -1 0 317.301 -0.251 20 0 DBADRM O=C([O-])CN1CC[C@@H](Oc2ccc(-n3cnnn3)cc2)C1=O ZINC000663218778 412228756 /nfs/dbraw/zinc/22/87/56/412228756.db2.gz HAMZOYQTODAMMT-LLVKDONJSA-N -1 0 303.278 -0.273 20 0 DBADRM NS(=O)(=O)c1ccccc1O[C@H]1CCN(CC(=O)[O-])C1=O ZINC000663221240 412228765 /nfs/dbraw/zinc/22/87/65/412228765.db2.gz ZRPFGVFLZRGHQH-VIFPVBQESA-N -1 0 314.319 -0.602 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663152021 412228949 /nfs/dbraw/zinc/22/89/49/412228949.db2.gz SKRIZBIVPQJKGP-VIFPVBQESA-N -1 0 311.338 -0.066 20 0 DBADRM NS(=O)(=O)c1ccccc1O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000663221239 412229013 /nfs/dbraw/zinc/22/90/13/412229013.db2.gz ZRPFGVFLZRGHQH-SECBINFHSA-N -1 0 314.319 -0.602 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000663286242 412230865 /nfs/dbraw/zinc/23/08/65/412230865.db2.gz PXIXCAKEHABPPP-UHFFFAOYSA-N -1 0 320.298 -0.687 20 0 DBADRM O=C([O-])[C@H]1N(S(=O)(=O)N2CCCC2)CC12CCOCC2 ZINC000663290940 412231115 /nfs/dbraw/zinc/23/11/15/412231115.db2.gz WPIODWGYZCXOTJ-SNVBAGLBSA-N -1 0 304.368 -0.107 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)[O-])N(S(=O)(=O)C1(C)CC1)C2 ZINC000663252221 412231128 /nfs/dbraw/zinc/23/11/28/412231128.db2.gz DBDYPKJEDBKFOT-QMMMGPOBSA-N -1 0 300.340 -0.262 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CC[C@H]3COC[C@H]3C2)CC1 ZINC000663430558 412232491 /nfs/dbraw/zinc/23/24/91/412232491.db2.gz SZPXOAXEFJZOTP-NWDGAFQWSA-N -1 0 318.395 -0.004 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000663430559 412233138 /nfs/dbraw/zinc/23/31/38/412233138.db2.gz SZPXOAXEFJZOTP-RYUDHWBXSA-N -1 0 318.395 -0.004 20 0 DBADRM Cn1cccc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)c1=O ZINC000663602882 412235845 /nfs/dbraw/zinc/23/58/45/412235845.db2.gz PAVKPKPJFAMWDH-JTQLQIEISA-N -1 0 321.333 -0.059 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC(CO)CC1)C1CCC1 ZINC000663634543 412236402 /nfs/dbraw/zinc/23/64/02/412236402.db2.gz FEXUCPAMGGVURB-LBPRGKRZSA-N -1 0 312.366 -0.166 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663632888 412236698 /nfs/dbraw/zinc/23/66/98/412236698.db2.gz CXPYXAFYOCDNPD-JTQLQIEISA-N -1 0 313.354 -0.802 20 0 DBADRM CCn1nccc1CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000663629444 412236777 /nfs/dbraw/zinc/23/67/77/412236777.db2.gz LGWOUMXZNDAXDS-LLVKDONJSA-N -1 0 310.354 -0.008 20 0 DBADRM C[C@]1(C(F)F)CN(C(=O)C(=O)NCCCC(=O)[O-])CCO1 ZINC000663627419 412236795 /nfs/dbraw/zinc/23/67/95/412236795.db2.gz IJCAJDZMWYTOMA-GFCCVEGCSA-N -1 0 308.281 -0.150 20 0 DBADRM CN(CC(C)(C)O)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663634466 412236874 /nfs/dbraw/zinc/23/68/74/412236874.db2.gz VVIJMYLWPVGRPN-SNVBAGLBSA-N -1 0 300.355 -0.167 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC[C@H](CO)C1)C1CCC1 ZINC000663635230 412236903 /nfs/dbraw/zinc/23/69/03/412236903.db2.gz OFPSLSPRPCXCCX-JQWIXIFHSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NCCOCCF)C1CCC1 ZINC000663630840 412237040 /nfs/dbraw/zinc/23/70/40/412237040.db2.gz QKADLAPPOSPKPQ-JTQLQIEISA-N -1 0 304.318 -0.294 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663624829 412237182 /nfs/dbraw/zinc/23/71/82/412237182.db2.gz RWPRCRKNXOEXQQ-MWLCHTKSSA-N -1 0 323.353 -0.600 20 0 DBADRM CCN(CCCO)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663635397 412237796 /nfs/dbraw/zinc/23/77/96/412237796.db2.gz RYDABGUBWAMYDK-LLVKDONJSA-N -1 0 300.355 -0.166 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000665321923 412308163 /nfs/dbraw/zinc/30/81/63/412308163.db2.gz UDHOFGKWXKNFMI-NXEZZACHSA-N -1 0 319.383 -0.440 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)C1CCC1 ZINC000665318496 412308371 /nfs/dbraw/zinc/30/83/71/412308371.db2.gz YKDGVHHNILZRFW-MNOVXSKESA-N -1 0 311.342 -0.561 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])nn1C ZINC000424439513 412366330 /nfs/dbraw/zinc/36/63/30/412366330.db2.gz UPENVFUOVUWGIU-SNVBAGLBSA-N -1 0 310.354 0.530 20 0 DBADRM CC(C)C[C@H](CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C)C(=O)[O-] ZINC000424377770 412325524 /nfs/dbraw/zinc/32/55/24/412325524.db2.gz RUTJNQBLWUEPCS-MRVPVSSYSA-N -1 0 323.353 0.531 20 0 DBADRM CC(C)Oc1ccc(NC(=O)C(=O)NCCCC(=O)[O-])nn1 ZINC000569456993 412342223 /nfs/dbraw/zinc/34/22/23/412342223.db2.gz JJRNZJOJCJBAIL-UHFFFAOYSA-N -1 0 310.310 0.183 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2ccc(C(N)=O)nn2)C1=O ZINC000416448649 412350334 /nfs/dbraw/zinc/35/03/34/412350334.db2.gz UNXNWQKMGIZFSJ-MWLCHTKSSA-N -1 0 321.337 -0.303 20 0 DBADRM Cn1ncc2c1[n-]cc(C(=O)Nc1ccn(CC(N)=O)n1)c2=O ZINC000358304759 412297582 /nfs/dbraw/zinc/29/75/82/412297582.db2.gz DISQNKVXQVSXOI-UHFFFAOYSA-N -1 0 315.293 -0.392 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)cn1 ZINC000448536627 412297683 /nfs/dbraw/zinc/29/76/83/412297683.db2.gz GKGDJHFUPWRVAI-UHFFFAOYSA-N -1 0 319.350 0.386 20 0 DBADRM COC(=O)c1ccc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)nc1OC ZINC000595977236 412382517 /nfs/dbraw/zinc/38/25/17/412382517.db2.gz FPBUGEDBXDWJMI-FXBDTBDDSA-N -1 0 310.306 0.513 20 0 DBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2cnc3n2CCC3)cn1 ZINC000345681177 412383705 /nfs/dbraw/zinc/38/37/05/412383705.db2.gz IUHLWXPRBJOAFU-UHFFFAOYSA-N -1 0 323.334 0.207 20 0 DBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(OC)nc2)cn1 ZINC000442629630 412384549 /nfs/dbraw/zinc/38/45/49/412384549.db2.gz RHVFCOXGKIBVGR-UHFFFAOYSA-N -1 0 324.318 0.468 20 0 DBADRM O=C([O-])c1cn(CCNc2ccnc(N3CCOCC3)n2)nn1 ZINC000584294471 412419251 /nfs/dbraw/zinc/41/92/51/412419251.db2.gz VJVMNSUYIKJYQT-UHFFFAOYSA-N -1 0 319.325 -0.285 20 0 DBADRM CCOC(=O)Cn1ccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC000593957619 412422691 /nfs/dbraw/zinc/42/26/91/412422691.db2.gz OKUIURMKRDIREJ-VIFPVBQESA-N -1 0 310.310 0.385 20 0 DBADRM O=S(=O)(NCCNc1cnccn1)c1cn2c(n1)CCCC2 ZINC000355628428 412425842 /nfs/dbraw/zinc/42/58/42/412425842.db2.gz DOQSOWSBLJXJOD-UHFFFAOYSA-N -1 0 322.394 0.400 20 0 DBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1c(C)onc1N ZINC000563226444 412488767 /nfs/dbraw/zinc/48/87/67/412488767.db2.gz NPOBYVODKNUECY-ZCFIWIBFSA-N -1 0 307.328 -0.325 20 0 DBADRM Cc1n[nH]cc1-c1nnc(NC(=O)NCc2n[nH]c(=O)[n-]2)s1 ZINC000445020214 412449235 /nfs/dbraw/zinc/44/92/35/412449235.db2.gz OJKWHHPAXHJFOD-UHFFFAOYSA-N -1 0 321.326 0.382 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)nn1C ZINC000577751461 412453810 /nfs/dbraw/zinc/45/38/10/412453810.db2.gz GKLPZKKRINOVGT-VXNVDRBHSA-N -1 0 309.326 -0.369 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]c2cnc(C(=O)OC)cn2)cn1 ZINC000361847966 412462562 /nfs/dbraw/zinc/46/25/62/412462562.db2.gz GIAUMVPRUMNRAJ-UHFFFAOYSA-N -1 0 311.323 0.280 20 0 DBADRM CCCc1n[n-]c(=NC(=O)c2nc(N)nc(N(C)C)n2)s1 ZINC000565428075 412475884 /nfs/dbraw/zinc/47/58/84/412475884.db2.gz STXWRGBVAHIXOA-UHFFFAOYSA-N -1 0 308.371 -0.002 20 0 DBADRM CNC(=O)c1ccc(CS(=O)(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000650393250 418942137 /nfs/dbraw/zinc/94/21/37/418942137.db2.gz LZPCJJRYMHPTRL-MRVPVSSYSA-N -1 0 300.336 -0.061 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NCc1nc(C(=O)[O-])cs1 ZINC000650413434 418942210 /nfs/dbraw/zinc/94/22/10/418942210.db2.gz WOZDUZBEMILPQY-LURJTMIESA-N -1 0 321.380 -0.263 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ncccc1C(F)(F)F ZINC000650400900 418942240 /nfs/dbraw/zinc/94/22/40/418942240.db2.gz SGSLDCMFJRYIGN-LURJTMIESA-N -1 0 314.241 -0.176 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCOCC2)C[C@H]1C1CC1 ZINC000650449512 418946522 /nfs/dbraw/zinc/94/65/22/418946522.db2.gz LDRVGAZEGWDQLV-WDEREUQCSA-N -1 0 304.368 -0.394 20 0 DBADRM CC[C@H](NC(=O)[C@](C)(OC)C(=O)[O-])C(=O)N1CCOCC1 ZINC000663062192 418946573 /nfs/dbraw/zinc/94/65/73/418946573.db2.gz KMWSESNMCABXAV-ZANVPECISA-N -1 0 302.327 -0.770 20 0 DBADRM CO[C@@H]1CC[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1 ZINC000663055019 418946702 /nfs/dbraw/zinc/94/67/02/418946702.db2.gz SWHSVOXBNBGABI-OPRDCNLKSA-N -1 0 305.352 -0.488 20 0 DBADRM Cc1cc(CS(=O)(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)no1 ZINC000650445613 418946994 /nfs/dbraw/zinc/94/69/94/418946994.db2.gz OLSCKHBEURFKMO-PSASIEDQSA-N -1 0 304.324 -0.013 20 0 DBADRM CCn1cnc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c1 ZINC000650446080 418947039 /nfs/dbraw/zinc/94/70/39/418947039.db2.gz ILBYSILAILCPBB-RKDXNWHRSA-N -1 0 303.340 -0.234 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCc1ccccc1S(N)(=O)=O ZINC000663054520 418947075 /nfs/dbraw/zinc/94/70/75/418947075.db2.gz NLHKDFWYKYOAQK-LBPRGKRZSA-N -1 0 316.335 -0.560 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000665786773 418947885 /nfs/dbraw/zinc/94/78/85/418947885.db2.gz XXOCJHBLVNYHBA-SNVBAGLBSA-N -1 0 321.381 -0.449 20 0 DBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000665786144 418948151 /nfs/dbraw/zinc/94/81/51/418948151.db2.gz JLIXFEGWRPHZED-VIFPVBQESA-N -1 0 307.354 -0.460 20 0 DBADRM Cn1[n-]c(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1=O ZINC000666177026 418977994 /nfs/dbraw/zinc/97/79/94/418977994.db2.gz MNHCPKUHYATXCB-VIFPVBQESA-N -1 0 316.383 -0.330 20 0 DBADRM O=C(NCCN1CCN(c2ncccn2)CC1)c1cc(=O)[nH][n-]1 ZINC000666703025 418986252 /nfs/dbraw/zinc/98/62/52/418986252.db2.gz MRQIWIUSIIDSPN-UHFFFAOYSA-N -1 0 317.353 -0.543 20 0 DBADRM Cc1ccn2c(c1)n[n-]/c2=N\C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000088255104 544420583 /nfs/dbraw/zinc/42/05/83/544420583.db2.gz PWSFYZNSXKOAOC-JTQLQIEISA-N -1 0 323.378 -0.178 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000394224106 544420660 /nfs/dbraw/zinc/42/06/60/544420660.db2.gz OGOLOJOPDKJCFJ-ZJUUUORDSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000394224102 544420967 /nfs/dbraw/zinc/42/09/67/544420967.db2.gz OGOLOJOPDKJCFJ-UWVGGRQHSA-N -1 0 306.384 -0.020 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000668287646 544424837 /nfs/dbraw/zinc/42/48/37/544424837.db2.gz HYCOCCRPECNTDJ-JTQLQIEISA-N -1 0 302.290 -0.023 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)S1(=O)=O ZINC000668305634 544424962 /nfs/dbraw/zinc/42/49/62/544424962.db2.gz SBUKFLCNOSMZCR-VHSXEESVSA-N -1 0 320.367 -0.984 20 0 DBADRM O=C(CN1CSCC1=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000668311385 544425743 /nfs/dbraw/zinc/42/57/43/544425743.db2.gz UXODROSJGBNXCB-LLVKDONJSA-N -1 0 302.352 -0.485 20 0 DBADRM O=C([O-])CN(CC1CC1)C(=O)Cn1nc2ccccn2c1=O ZINC000315546826 544432075 /nfs/dbraw/zinc/43/20/75/544432075.db2.gz LCXPHWGGHCGHJK-UHFFFAOYSA-N -1 0 304.306 -0.181 20 0 DBADRM Cn1[n-]c(C(=O)Nc2ccn(CCN3CCOCC3)n2)cc1=O ZINC000668493828 544451959 /nfs/dbraw/zinc/45/19/59/544451959.db2.gz RWIRVXVVZMAVTC-UHFFFAOYSA-N -1 0 320.353 -0.093 20 0 DBADRM CNC(=O)CCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000668685681 544478617 /nfs/dbraw/zinc/47/86/17/544478617.db2.gz AHLRBNHVKDPRLL-UHFFFAOYSA-N -1 0 315.351 -0.704 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000329347473 544479733 /nfs/dbraw/zinc/47/97/33/544479733.db2.gz RTPGFGOCQYGEQM-JTQLQIEISA-N -1 0 302.294 -0.073 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC000222591396 544491063 /nfs/dbraw/zinc/49/10/63/544491063.db2.gz WUNOWBRINSRUEJ-ZJUUUORDSA-N -1 0 302.327 -0.770 20 0 DBADRM CCn1ccc(CC(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])n1 ZINC000653290519 544503023 /nfs/dbraw/zinc/50/30/23/544503023.db2.gz YNWKQAPHPCTWIV-VIFPVBQESA-N -1 0 320.309 -0.762 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)NC1(c2nnn[n-]2)CCCC1 ZINC000668869292 544507136 /nfs/dbraw/zinc/50/71/36/544507136.db2.gz MNADVUNHLMPXEB-UHFFFAOYSA-N -1 0 319.369 -0.015 20 0 DBADRM CC(C)(CNC(=O)N[C@@H](CC1CC1)C(=O)[O-])NS(C)(=O)=O ZINC000314210582 544513456 /nfs/dbraw/zinc/51/34/56/544513456.db2.gz VYKVJNHSSNNCRG-VIFPVBQESA-N -1 0 321.399 -0.133 20 0 DBADRM CC[C@](C)(NC(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000094227124 544519128 /nfs/dbraw/zinc/51/91/28/544519128.db2.gz ZYMCYBIZIQGFKY-NSHDSACASA-N -1 0 309.388 -0.133 20 0 DBADRM CN1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1=O ZINC000669062065 544523631 /nfs/dbraw/zinc/52/36/31/544523631.db2.gz YQKVLMYNFQEOKT-UHFFFAOYSA-N -1 0 302.290 -0.056 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000044613338 544528755 /nfs/dbraw/zinc/52/87/55/544528755.db2.gz ZATDDFAKUALDKQ-JTQLQIEISA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000669131215 544529903 /nfs/dbraw/zinc/52/99/03/544529903.db2.gz MMZFZFHQFBWENG-ZCFIWIBFSA-N -1 0 301.324 -0.967 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H](C)C(=O)[O-] ZINC000228579604 544561706 /nfs/dbraw/zinc/56/17/06/544561706.db2.gz KDQQLRITBFYWNQ-BBBLOLIVSA-N -1 0 306.384 -0.117 20 0 DBADRM CN(CCCNC(=O)c1cc(C(=O)[O-])ccn1)S(C)(=O)=O ZINC000668148808 544566351 /nfs/dbraw/zinc/56/63/51/544566351.db2.gz NSBQBNYUXCUVLA-UHFFFAOYSA-N -1 0 315.351 -0.209 20 0 DBADRM CC(C)[C@@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000087480129 544581915 /nfs/dbraw/zinc/58/19/15/544581915.db2.gz CLCSJSOSQDGAHX-NXEZZACHSA-N -1 0 306.384 -0.117 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCOCC(=O)[O-] ZINC000093227477 544606948 /nfs/dbraw/zinc/60/69/48/544606948.db2.gz CVBCMNFCSRWKFA-SECBINFHSA-N -1 0 308.356 -0.982 20 0 DBADRM NS(=O)(=O)CCCS(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000349443709 544613526 /nfs/dbraw/zinc/61/35/26/544613526.db2.gz BIAHSELBMHVFLE-ZETCQYMHSA-N -1 0 324.346 -0.075 20 0 DBADRM NS(=O)(=O)CCCS(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000349443708 544613758 /nfs/dbraw/zinc/61/37/58/544613758.db2.gz BIAHSELBMHVFLE-SSDOTTSWSA-N -1 0 324.346 -0.075 20 0 DBADRM Cc1cc(C)nc([N-]S(=O)(=O)CCCCS(N)(=O)=O)n1 ZINC000349614045 544614951 /nfs/dbraw/zinc/61/49/51/544614951.db2.gz XHLQXDLOAHINEE-UHFFFAOYSA-N -1 0 322.412 -0.096 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000097057059 544617928 /nfs/dbraw/zinc/61/79/28/544617928.db2.gz SCYVKTWNRGJGSJ-JGVFFNPUSA-N -1 0 315.351 -0.344 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000252445930 544623987 /nfs/dbraw/zinc/62/39/87/544623987.db2.gz JDCVHLSFEBZKLT-IVZWLZJFSA-N -1 0 304.368 -0.505 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccccc2[O-])C1 ZINC000400134295 544635826 /nfs/dbraw/zinc/63/58/26/544635826.db2.gz SIKCKCLBSHGJHD-SECBINFHSA-N -1 0 320.392 -0.296 20 0 DBADRM CCN1CC[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1=O ZINC000670169355 544650823 /nfs/dbraw/zinc/65/08/23/544650823.db2.gz JDLANXVKJSVCJV-SECBINFHSA-N -1 0 317.305 -0.213 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000262190212 544654694 /nfs/dbraw/zinc/65/46/94/544654694.db2.gz SKBSZOQERAUSIJ-OPRDCNLKSA-N -1 0 316.379 -0.002 20 0 DBADRM C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H](C(=O)[O-])O1 ZINC000262254099 544656341 /nfs/dbraw/zinc/65/63/41/544656341.db2.gz SKZKMYURJZXDME-HTQZYQBOSA-N -1 0 308.356 -0.985 20 0 DBADRM NC(=O)[C@H]1CC[C@@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000566448699 544669402 /nfs/dbraw/zinc/66/94/02/544669402.db2.gz CBLPDYYJEXGWKY-UWVGGRQHSA-N -1 0 302.294 -0.182 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC000654786412 544676931 /nfs/dbraw/zinc/67/69/31/544676931.db2.gz HEHJCHKZUOLIEL-VIFPVBQESA-N -1 0 308.356 -0.873 20 0 DBADRM O=C([O-])[C@@H]1CSCCN1C(=O)NCc1nnnn1C1CC1 ZINC000684736218 544677369 /nfs/dbraw/zinc/67/73/69/544677369.db2.gz OVLCDVIFKHOIRV-QMMMGPOBSA-N -1 0 312.355 -0.280 20 0 DBADRM CC(C)(CNC(=O)N[C@H](C(=O)[O-])C1CC1)NS(C)(=O)=O ZINC000111774607 544680065 /nfs/dbraw/zinc/68/00/65/544680065.db2.gz BTNNQPDBNQWGJK-QMMMGPOBSA-N -1 0 307.372 -0.523 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000682523654 544643542 /nfs/dbraw/zinc/64/35/42/544643542.db2.gz NKYCRCBNKMGTQF-IVZWLZJFSA-N -1 0 307.368 -0.100 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000390196771 544689254 /nfs/dbraw/zinc/68/92/54/544689254.db2.gz UVFQQLZIYRSONZ-VIFPVBQESA-N -1 0 309.388 -0.418 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N(C)C1CC1 ZINC000681589537 544695818 /nfs/dbraw/zinc/69/58/18/544695818.db2.gz AGMDMIBHFPJWOB-QMMMGPOBSA-N -1 0 307.372 -0.763 20 0 DBADRM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1n[nH]c(=O)[n-]1 ZINC000673928669 544702707 /nfs/dbraw/zinc/70/27/07/544702707.db2.gz QVFDNVSXFHACOM-YUMQZZPRSA-N -1 0 307.310 -0.698 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CCO1 ZINC000667646306 544746696 /nfs/dbraw/zinc/74/66/96/544746696.db2.gz PXXSYGZGBGYIMJ-JTQLQIEISA-N -1 0 318.289 -0.644 20 0 DBADRM CN(CCc1ccccn1)C(=O)CNC(=O)c1cc(=O)n(C)[n-]1 ZINC000668037070 544754930 /nfs/dbraw/zinc/75/49/30/544754930.db2.gz LKHOGTUMOXKWJE-UHFFFAOYSA-N -1 0 317.349 -0.048 20 0 DBADRM NC(=O)c1cn(CC(=O)NCc2n[nH]c(=O)[n-]2)c2ccccc12 ZINC000673949428 544816807 /nfs/dbraw/zinc/81/68/07/544816807.db2.gz NWORQZKLCCOQET-UHFFFAOYSA-N -1 0 314.305 -0.120 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(C)(C)S(C)(=O)=O)cn1C ZINC000674044221 544818678 /nfs/dbraw/zinc/81/86/78/544818678.db2.gz HQBRFDPSEBDMEU-UHFFFAOYSA-N -1 0 309.413 -0.170 20 0 DBADRM CC(C)[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C(=O)N1CCCC1 ZINC000674388205 544825337 /nfs/dbraw/zinc/82/53/37/544825337.db2.gz AGQKPLFMISIBEO-NSHDSACASA-N -1 0 322.365 -0.137 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)C1 ZINC000674744036 544836333 /nfs/dbraw/zinc/83/63/33/544836333.db2.gz ZUFAEXPTYATZBR-NEPJUHHUSA-N -1 0 302.338 -0.264 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CC(C)(C)C(=O)[O-] ZINC000674992258 544842159 /nfs/dbraw/zinc/84/21/59/544842159.db2.gz VMAOKVPSPIQROK-SECBINFHSA-N -1 0 313.354 -0.660 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CC(C)(C)C(=O)[O-] ZINC000674992259 544842559 /nfs/dbraw/zinc/84/25/59/544842559.db2.gz VMAOKVPSPIQROK-VIFPVBQESA-N -1 0 313.354 -0.660 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000676016398 544856043 /nfs/dbraw/zinc/85/60/43/544856043.db2.gz FSXIOXTVPLVCJO-MRVPVSSYSA-N -1 0 316.339 -0.670 20 0 DBADRM Cc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1-n1cnnn1 ZINC000676019597 544856106 /nfs/dbraw/zinc/85/61/06/544856106.db2.gz RHNCRLHLUPYUBW-GFCCVEGCSA-N -1 0 317.305 -0.104 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000675986915 544856269 /nfs/dbraw/zinc/85/62/69/544856269.db2.gz ZMXMXEUJPGFPSM-LBPRGKRZSA-N -1 0 315.370 -0.366 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000676213043 544859564 /nfs/dbraw/zinc/85/95/64/544859564.db2.gz IFGBPUXYLVLLRT-WDEREUQCSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000676212034 544859617 /nfs/dbraw/zinc/85/96/17/544859617.db2.gz AHHCTCNOUGWAOD-MRVPVSSYSA-N -1 0 308.356 -0.984 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000676213041 544859905 /nfs/dbraw/zinc/85/99/05/544859905.db2.gz IFGBPUXYLVLLRT-MNOVXSKESA-N -1 0 311.338 -0.953 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1[O-] ZINC000676699150 544875394 /nfs/dbraw/zinc/87/53/94/544875394.db2.gz CNKBVXXQUAKYIP-QMMMGPOBSA-N -1 0 302.356 -0.422 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN2CCCS2(=O)=O)c1[O-] ZINC000676700660 544875756 /nfs/dbraw/zinc/87/57/56/544875756.db2.gz PUYYZNBNILUZFW-UHFFFAOYSA-N -1 0 302.356 -0.469 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000677644456 544895053 /nfs/dbraw/zinc/89/50/53/544895053.db2.gz PAMMDUYPAQUJRY-ZDUSSCGKSA-N -1 0 318.337 -0.490 20 0 DBADRM O=C(CNC(=O)c1n[nH]c(=O)[n-]c1=O)N1CCc2ccccc21 ZINC000677948727 544902514 /nfs/dbraw/zinc/90/25/14/544902514.db2.gz DDFPNHUTHSYKRB-UHFFFAOYSA-N -1 0 315.289 -0.398 20 0 DBADRM O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1n[nH]c(=O)[n-]c1=O ZINC000677951835 544902638 /nfs/dbraw/zinc/90/26/38/544902638.db2.gz ZIIWHWCBACPACL-SECBINFHSA-N -1 0 315.289 -0.182 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@]12CCCO2 ZINC000680601604 544952362 /nfs/dbraw/zinc/95/23/62/544952362.db2.gz AXCBLQCUVRQBMB-HHURGBBESA-N -1 0 310.310 -0.261 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)N1C(=O)CCC1=O ZINC000678754930 544920764 /nfs/dbraw/zinc/92/07/64/544920764.db2.gz PANUNHBEOFOVRR-DTWKUNHWSA-N -1 0 306.326 -0.557 20 0 DBADRM Cc1c(NC(=O)C(=O)NCc2nnn[n-]2)cccc1N(C)C ZINC000678909419 544923667 /nfs/dbraw/zinc/92/36/67/544923667.db2.gz HJSNETYFULKHRF-UHFFFAOYSA-N -1 0 303.326 -0.171 20 0 DBADRM O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1n[nH]c(=O)[n-]c1=O ZINC000678995867 544924311 /nfs/dbraw/zinc/92/43/11/544924311.db2.gz XZLLWTFBSUOLLK-SSDOTTSWSA-N -1 0 320.284 -0.174 20 0 DBADRM CN(CCCNC(=O)N1CCCC[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC000679548470 544933683 /nfs/dbraw/zinc/93/36/83/544933683.db2.gz VILXWVWOYPSONE-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000679654384 544936084 /nfs/dbraw/zinc/93/60/84/544936084.db2.gz AXGROCDAYXORRZ-RKDXNWHRSA-N -1 0 301.343 -0.661 20 0 DBADRM CC(=O)NCCN(C(=O)CCn1ccccc1=O)[C@H](C)C(=O)[O-] ZINC000679654397 544936294 /nfs/dbraw/zinc/93/62/94/544936294.db2.gz BREVJRHXQXDPRF-LLVKDONJSA-N -1 0 323.349 -0.324 20 0 DBADRM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC000681944373 544988693 /nfs/dbraw/zinc/98/86/93/544988693.db2.gz YCQYLEKSZRBCRS-GFCCVEGCSA-N -1 0 324.337 -0.956 20 0 DBADRM C[C@@](CO)(CNS(=O)(=O)CC[C@H]1CCCO1)CC(=O)[O-] ZINC000681954030 544990014 /nfs/dbraw/zinc/99/00/14/544990014.db2.gz KSANXNSRGKJXAL-PWSUYJOCSA-N -1 0 309.384 -0.052 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)CC[C@@H]1CCCO1 ZINC000681555495 544974888 /nfs/dbraw/zinc/97/48/88/544974888.db2.gz BPQRZIUHVFIWGB-QWRGUYRKSA-N -1 0 317.367 -0.106 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1cccc2cccnc21)C(=O)[O-] ZINC000681555875 544974939 /nfs/dbraw/zinc/97/49/39/544974939.db2.gz FUYFYMUTKDVEJF-VIFPVBQESA-N -1 0 323.330 -0.158 20 0 DBADRM Cc1noc2ncc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc12 ZINC000681561207 544975119 /nfs/dbraw/zinc/97/51/19/544975119.db2.gz YEJJQQPUAOXGNO-VIFPVBQESA-N -1 0 315.307 -0.355 20 0 DBADRM CN(C1CC1)S(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000681580992 544975802 /nfs/dbraw/zinc/97/58/02/544975802.db2.gz WGCBRVCUNKNNBH-JTQLQIEISA-N -1 0 316.383 -0.408 20 0 DBADRM CC1(C)CN(S(=O)(=O)N(CCO)CCC(=O)[O-])CCO1 ZINC000681584442 544975992 /nfs/dbraw/zinc/97/59/92/544975992.db2.gz ARGTUCHKWAEFJD-UHFFFAOYSA-N -1 0 310.372 -0.889 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N(CCO)CCC(=O)[O-])C[C@H](C)O1 ZINC000681585520 544976062 /nfs/dbraw/zinc/97/60/62/544976062.db2.gz WJFRSZFUNMGVBX-AOOOYVTPSA-N -1 0 310.372 -0.891 20 0 DBADRM CC[C@H](CNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000681569755 544976072 /nfs/dbraw/zinc/97/60/72/544976072.db2.gz DYSVMKKOPVXQPY-MRVPVSSYSA-N -1 0 301.386 -0.549 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N(CCC(=O)[O-])C1CC1 ZINC000681583528 544976100 /nfs/dbraw/zinc/97/61/00/544976100.db2.gz WTXCGVPZLKOCMM-UHFFFAOYSA-N -1 0 313.397 -0.310 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])C1 ZINC000681642106 544977673 /nfs/dbraw/zinc/97/76/73/544977673.db2.gz OXSYOTDZYJOKBX-WDEREUQCSA-N -1 0 316.379 -0.339 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])C1 ZINC000681641825 544977845 /nfs/dbraw/zinc/97/78/45/544977845.db2.gz OXSYOTDZYJOKBX-GHMZBOCLSA-N -1 0 316.379 -0.339 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1ccc(OCC(N)=O)cc1 ZINC000682832798 545006267 /nfs/dbraw/zinc/00/62/67/545006267.db2.gz JJXPQVNDSVSNQU-UHFFFAOYSA-N -1 0 311.323 -0.520 20 0 DBADRM CN(C1CC1)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000683434227 545009652 /nfs/dbraw/zinc/00/96/52/545009652.db2.gz MNVXZNSTXBHSTB-ZYHUDNBSSA-N -1 0 304.368 -0.252 20 0 DBADRM CCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000683620564 545011904 /nfs/dbraw/zinc/01/19/04/545011904.db2.gz KXRNJYLVVMMMBB-VXGBXAGGSA-N -1 0 316.379 -0.171 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CCCN1c1ncccn1 ZINC000684064194 545016628 /nfs/dbraw/zinc/01/66/28/545016628.db2.gz FJVXPJSBHQJNGZ-SECBINFHSA-N -1 0 304.310 -0.519 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cnn(CCO)c1-c1ccccc1 ZINC000684440867 545020567 /nfs/dbraw/zinc/02/05/67/545020567.db2.gz WCVXAZLJOMFPGM-UHFFFAOYSA-N -1 0 313.321 -0.015 20 0 DBADRM COC1(CNC(=O)N[C@]2(C(=O)[O-])CCOC2)CCOCC1 ZINC000684738396 545023263 /nfs/dbraw/zinc/02/32/63/545023263.db2.gz ZECCLCBFIBOREY-CYBMUJFWSA-N -1 0 302.327 -0.275 20 0 DBADRM CC(C)(CNC(=O)N1CCC[C@@H]1C(=O)[O-])NS(C)(=O)=O ZINC000111774542 545026400 /nfs/dbraw/zinc/02/64/00/545026400.db2.gz HMVBFCQRWCGXOB-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCO1 ZINC000685897892 545034950 /nfs/dbraw/zinc/03/49/50/545034950.db2.gz WWSMXSKCBMOFDW-CABZTGNLSA-N -1 0 304.368 -0.252 20 0 DBADRM COCC[C@@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000052784571 545037967 /nfs/dbraw/zinc/03/79/67/545037967.db2.gz DWLJCKQMVQMVAS-BDAKNGLRSA-N -1 0 308.356 -0.984 20 0 DBADRM O=C([O-])[C@H](CC(F)(F)F)NS(=O)(=O)N1CCOCC1 ZINC000388544500 545038166 /nfs/dbraw/zinc/03/81/66/545038166.db2.gz SJZZQVATTPAUIS-LURJTMIESA-N -1 0 306.262 -0.441 20 0 DBADRM C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)[N-]CC(F)(F)F ZINC000192016321 265668323 /nfs/dbraw/zinc/66/83/23/265668323.db2.gz OOYZEYUWWZMBJF-RQJHMYQMSA-N -1 0 303.306 -0.031 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](C)CC(=O)[O-] ZINC000298112960 265685727 /nfs/dbraw/zinc/68/57/27/265685727.db2.gz VPNBHAMLEGLREA-LURJTMIESA-N -1 0 305.312 -0.272 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000420527059 265859312 /nfs/dbraw/zinc/85/93/12/265859312.db2.gz DEBJIUCBZDJWIG-SECBINFHSA-N -1 0 302.327 -0.377 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000420569412 265860964 /nfs/dbraw/zinc/86/09/64/265860964.db2.gz XWRZJMGGTMGORK-JLLWLGSASA-N -1 0 310.350 -0.007 20 0 DBADRM CCOC(=O)CC[C@@H](C)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000420560806 265861037 /nfs/dbraw/zinc/86/10/37/265861037.db2.gz FQGJNQMDSYVZIK-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM CCOC(=O)C[C@@H](C)CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000420568826 265861504 /nfs/dbraw/zinc/86/15/04/265861504.db2.gz XIIQVKGXSCMZKJ-ZJUUUORDSA-N -1 0 316.354 -0.129 20 0 DBADRM Cc1cccc2c1N(C(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])CC2 ZINC000422679082 265879111 /nfs/dbraw/zinc/87/91/11/265879111.db2.gz RITCUEZMZHNKJS-OAHLLOKOSA-N -1 0 306.318 -0.164 20 0 DBADRM CN(CCn1cccn1)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000422827177 265881507 /nfs/dbraw/zinc/88/15/07/265881507.db2.gz RSHLAFTVMNDKIG-NSHDSACASA-N -1 0 308.338 -0.335 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C[C@@H]1OC ZINC000422854799 265882600 /nfs/dbraw/zinc/88/26/00/265882600.db2.gz DAIGUEKYFJPIMB-MXWKQRLJSA-N -1 0 314.338 -0.818 20 0 DBADRM CC[C@@]1(CO)CCCN1C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000422843923 265882610 /nfs/dbraw/zinc/88/26/10/265882610.db2.gz KBWKLPRZJOYDIN-YGRLFVJLSA-N -1 0 300.355 -0.071 20 0 DBADRM CO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000422841145 265882677 /nfs/dbraw/zinc/88/26/77/265882677.db2.gz VIPXLLBYFAKTHF-FIXISWKDSA-N -1 0 310.350 -0.053 20 0 DBADRM CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000422897424 265883442 /nfs/dbraw/zinc/88/34/42/265883442.db2.gz JRCRPFKLROKEHF-PGUXBMHVSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)n1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424252163 265928244 /nfs/dbraw/zinc/92/82/44/265928244.db2.gz VXFDXGBZODADQM-SNVBAGLBSA-N -1 0 315.351 -0.212 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ncc(F)cc2F)CCS1(=O)=O ZINC000424235926 265928253 /nfs/dbraw/zinc/92/82/53/265928253.db2.gz GKDVPRRFSRWSLP-MRVPVSSYSA-N -1 0 320.273 -0.316 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cc(C3CC3)on2)CCS1(=O)=O ZINC000424247864 265928512 /nfs/dbraw/zinc/92/85/12/265928512.db2.gz RMQQFNNKYUQEFD-JTQLQIEISA-N -1 0 314.319 -0.124 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc3[nH]ncc32)CCS1(=O)=O ZINC000424254178 265928528 /nfs/dbraw/zinc/92/85/28/265928528.db2.gz YJVLTHDTBXIODX-NSHDSACASA-N -1 0 323.330 -0.113 20 0 DBADRM Cc1cc(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)ccn1 ZINC000424376561 265930537 /nfs/dbraw/zinc/93/05/37/265930537.db2.gz CAOLJGDDMLGYDF-SNVBAGLBSA-N -1 0 313.335 -0.473 20 0 DBADRM Cc1cc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)ccn1 ZINC000424376560 265930588 /nfs/dbraw/zinc/93/05/88/265930588.db2.gz CAOLJGDDMLGYDF-JTQLQIEISA-N -1 0 313.335 -0.473 20 0 DBADRM C[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(C)(F)F ZINC000424395478 265931985 /nfs/dbraw/zinc/93/19/85/265931985.db2.gz ZXMMKKNJSLZKHH-NKWVEPMBSA-N -1 0 314.310 -0.077 20 0 DBADRM CO[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(C)C ZINC000424407542 265932806 /nfs/dbraw/zinc/93/28/06/265932806.db2.gz KJEVRVJJOVECCD-NXEZZACHSA-N -1 0 322.383 -0.449 20 0 DBADRM CO[C@@H]1CC[C@H](NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424453058 265933727 /nfs/dbraw/zinc/93/37/27/265933727.db2.gz RATUGIMKQWWEBT-IVZWLZJFSA-N -1 0 320.367 -0.553 20 0 DBADRM CC(C)C[C@@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)C(=O)[O-] ZINC000424431133 265933976 /nfs/dbraw/zinc/93/39/76/265933976.db2.gz ONVSQWIBMYMDRY-WDEREUQCSA-N -1 0 313.358 -0.315 20 0 DBADRM C[C@]1(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCOC1 ZINC000424416602 265933981 /nfs/dbraw/zinc/93/39/81/265933981.db2.gz VCAMHMLHWRVXQS-BXKDBHETSA-N -1 0 320.367 -0.694 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1)C(=O)[O-] ZINC000424479284 265936580 /nfs/dbraw/zinc/93/65/80/265936580.db2.gz DRSLWBMLVNEPBJ-CQSZACIVSA-N -1 0 313.354 -0.673 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C[C@@H](CO)O1 ZINC000424475599 265936618 /nfs/dbraw/zinc/93/66/18/265936618.db2.gz BXLMRJXONWIFLR-ZJUUUORDSA-N -1 0 316.354 -0.788 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C[C@@H]1OC ZINC000424483419 265936853 /nfs/dbraw/zinc/93/68/53/265936853.db2.gz QINQMRSEAFFHCU-AOOOYVTPSA-N -1 0 316.354 -0.524 20 0 DBADRM Cc1noc(CNC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])n1 ZINC000424524229 265937614 /nfs/dbraw/zinc/93/76/14/265937614.db2.gz UTYJGPHYMSRSLW-VIFPVBQESA-N -1 0 312.326 -0.143 20 0 DBADRM COCCOC1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424487760 265938269 /nfs/dbraw/zinc/93/82/69/265938269.db2.gz KOWMKBBZCZDPHM-UHFFFAOYSA-N -1 0 316.354 -0.523 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000424745765 265942771 /nfs/dbraw/zinc/94/27/71/265942771.db2.gz ZYYLLPAUQRFOPI-RKFFSXRUSA-N -1 0 324.358 -0.276 20 0 DBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000430327762 266002037 /nfs/dbraw/zinc/00/20/37/266002037.db2.gz MRJYTZVAEGNTEF-LURJTMIESA-N -1 0 321.370 -0.193 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C)CC(N)=O)oc1C ZINC000431830121 266025445 /nfs/dbraw/zinc/02/54/45/266025445.db2.gz HWTMFVOTLBFSJL-ZCFIWIBFSA-N -1 0 304.324 -0.083 20 0 DBADRM CN(C)c1nc(C(=O)NC[C@@H](O)C2CCOCC2)cc(=O)[nH]1 ZINC000431786301 266025611 /nfs/dbraw/zinc/02/56/11/266025611.db2.gz SCNHOJGZRKMSQE-LLVKDONJSA-N -1 0 310.354 -0.235 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)CSCC(=O)[O-] ZINC000432121343 266027204 /nfs/dbraw/zinc/02/72/04/266027204.db2.gz FWWJRPRCUIGQKZ-IUCAKERBSA-N -1 0 324.424 -0.219 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cc(=O)[nH]c(N(C)C)n1)c1nnn[n-]1 ZINC000434252315 266049296 /nfs/dbraw/zinc/04/92/96/266049296.db2.gz ZTEKUVYBYDKUQK-ZETCQYMHSA-N -1 0 306.330 -0.363 20 0 DBADRM CCC[C@@H](NC(=O)CCCN1C(=O)CN(C)C1=O)c1nnn[n-]1 ZINC000434769628 266055415 /nfs/dbraw/zinc/05/54/15/266055415.db2.gz ZKVPPVWSAFMONB-SECBINFHSA-N -1 0 323.357 -0.169 20 0 DBADRM COC(=O)c1ccnc(NC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000435380853 266061265 /nfs/dbraw/zinc/06/12/65/266061265.db2.gz UBILWGLVQARMRM-UHFFFAOYSA-N -1 0 304.262 -0.080 20 0 DBADRM Cc1n[nH]c([N-]S(=O)(=O)c2c[nH]c(=O)s2)c1C(N)=O ZINC000436479970 266070196 /nfs/dbraw/zinc/07/01/96/266070196.db2.gz YDEINFOGXDGSQT-UHFFFAOYSA-N -1 0 303.325 -0.220 20 0 DBADRM CCn1cnc(S(=O)(=O)[N-]c2cnn(CC(=O)NC)c2)c1 ZINC000439569731 266092790 /nfs/dbraw/zinc/09/27/90/266092790.db2.gz LOFILDGUNSNORF-UHFFFAOYSA-N -1 0 312.355 -0.354 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCNCC3)cc-2c(=O)[n-]1 ZINC000440339048 266099216 /nfs/dbraw/zinc/09/92/16/266099216.db2.gz JNTJSJSWWAXRHF-UHFFFAOYSA-N -1 0 311.323 -0.970 20 0 DBADRM Cc1oc(C(=O)Nc2nnn[n-]2)cc1S(=O)(=O)N(C)C ZINC000440555803 266105252 /nfs/dbraw/zinc/10/52/52/266105252.db2.gz WUTFASKUKBHUOI-UHFFFAOYSA-N -1 0 300.300 -0.396 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000442755695 266128429 /nfs/dbraw/zinc/12/84/29/266128429.db2.gz ZREPXFYOWZUFNC-VIFPVBQESA-N -1 0 321.399 -0.386 20 0 DBADRM CN(CC(=O)N1CCOCC1)S(=O)(=O)[N-]CC(F)(F)F ZINC000442909217 266129640 /nfs/dbraw/zinc/12/96/40/266129640.db2.gz UJIGQCJAOQBWQU-UHFFFAOYSA-N -1 0 319.305 -0.826 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C(=O)OC ZINC000442900707 266130424 /nfs/dbraw/zinc/13/04/24/266130424.db2.gz NNYNFEVSMAKIBM-YFKPBYRVSA-N -1 0 322.261 -0.923 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NC[C@@H](O)C1CCOCC1 ZINC000442951957 266133777 /nfs/dbraw/zinc/13/37/77/266133777.db2.gz PYOXFPVLZYDLPX-MRVPVSSYSA-N -1 0 306.306 -0.240 20 0 DBADRM CCOC(=O)[C@](C)(O)CNS(=O)(=O)[N-]CC(F)(F)F ZINC000443040692 266135322 /nfs/dbraw/zinc/13/53/22/266135322.db2.gz FIFGBPCJKFBQGP-SSDOTTSWSA-N -1 0 308.278 -0.713 20 0 DBADRM O=C(/C=C/c1cscn1)[N-]S(=O)(=O)N1CCOCC1 ZINC000492065304 266151385 /nfs/dbraw/zinc/15/13/85/266151385.db2.gz DQHAUWAHMFYWJE-OWOJBTEDSA-N -1 0 303.365 -0.151 20 0 DBADRM CCCC[C@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000492018965 266152098 /nfs/dbraw/zinc/15/20/98/266152098.db2.gz NLPNNCQLXNGLMY-TVRMLOFPSA-N -1 0 323.349 -0.143 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000492152506 266155035 /nfs/dbraw/zinc/15/50/35/266155035.db2.gz CXMRBOALWCZTHE-VOTSOKGWSA-N -1 0 309.322 -0.580 20 0 DBADRM Cn1cc(/C=C/C(=O)NCC2(C(=O)[O-])CCC2)c(=O)n(C)c1=O ZINC000492185660 266155309 /nfs/dbraw/zinc/15/53/09/266155309.db2.gz ZXHHQYCJHVBWON-SNAWJCMRSA-N -1 0 321.333 -0.532 20 0 DBADRM C[C@H](CN(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000492180461 266155599 /nfs/dbraw/zinc/15/55/99/266155599.db2.gz JUZHIVUMIKDTBJ-VUHVRTRXSA-N -1 0 309.322 -0.724 20 0 DBADRM CC(C)C[C@@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000492184735 266155647 /nfs/dbraw/zinc/15/56/47/266155647.db2.gz VTOMEXWCQWZCIJ-ISALQUGTSA-N -1 0 323.349 -0.287 20 0 DBADRM C[C@@H](CCC(=O)[O-])NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000492389942 266160174 /nfs/dbraw/zinc/16/01/74/266160174.db2.gz HCOYJCJXAJWZAH-UDIARPCQSA-N -1 0 309.322 -0.533 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C/c1cnccn1)[C@H](C)C(=O)[O-] ZINC000492405790 266160273 /nfs/dbraw/zinc/16/02/73/266160273.db2.gz DPNVDZJOOJFFGD-HMDXOVGESA-N -1 0 306.322 -0.072 20 0 DBADRM CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCCO ZINC000492512866 266161973 /nfs/dbraw/zinc/16/19/73/266161973.db2.gz SGWZGKIFYYECQN-QMMMGPOBSA-N -1 0 306.315 -0.517 20 0 DBADRM C[C@@](O)(CNC(=O)CCNC(=O)/C=C\c1ccco1)C(=O)[O-] ZINC000492625181 266162902 /nfs/dbraw/zinc/16/29/02/266162902.db2.gz VKGZSMPZEVMZKT-ZRUQZJFASA-N -1 0 310.306 -0.249 20 0 DBADRM C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)C[C@H]1O ZINC000492703915 266164318 /nfs/dbraw/zinc/16/43/18/266164318.db2.gz KWENMIKXOCYIKG-XCUNLHGCSA-N -1 0 323.324 -0.178 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)/C=C\c1ccc(F)c(F)c1 ZINC000492783442 266165318 /nfs/dbraw/zinc/16/53/18/266165318.db2.gz QADLHTRQZNBHOI-RQOWECAXSA-N -1 0 304.274 -0.091 20 0 DBADRM O=C(/C=C\c1cccnc1)NCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000493119503 266170429 /nfs/dbraw/zinc/17/04/29/266170429.db2.gz OSYARQBQHJYLCD-MVZIDQBPSA-N -1 0 319.317 -0.477 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000493257176 266173607 /nfs/dbraw/zinc/17/36/07/266173607.db2.gz OMZZKOODIYQYQQ-WAYWQWQTSA-N -1 0 309.322 -0.581 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C/C2CC2)CC1 ZINC000493253766 266173689 /nfs/dbraw/zinc/17/36/89/266173689.db2.gz LSFAOZPUBOVZPX-SNAWJCMRSA-N -1 0 301.368 -0.522 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)C=Cc1cscn1 ZINC000493402634 266174569 /nfs/dbraw/zinc/17/45/69/266174569.db2.gz QLODQOFNUVWGHC-SLYZXXNYSA-N -1 0 321.318 -0.051 20 0 DBADRM COC[C@@](C)(NC(=O)CNC(=O)/C=C/c1cccnc1)C(=O)[O-] ZINC000493361802 266174655 /nfs/dbraw/zinc/17/46/55/266174655.db2.gz YTCQHPTZSFGFBO-LLYBFZRZSA-N -1 0 321.333 -0.183 20 0 DBADRM C/C=C/C[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000493436566 266175521 /nfs/dbraw/zinc/17/55/21/266175521.db2.gz UGGPCGXCGYVISL-GFXVMWQKSA-N -1 0 321.333 -0.367 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2cscn2)CCS1(=O)=O ZINC000493656373 266179134 /nfs/dbraw/zinc/17/91/34/266179134.db2.gz HKLDMKNNZQSYCH-IYABHPQVSA-N -1 0 316.360 -0.134 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000493583528 266179617 /nfs/dbraw/zinc/17/96/17/266179617.db2.gz KIJRXKCAKAWJJL-ZZKXABKFSA-N -1 0 319.317 -0.234 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C/c1cccc(O)c1 ZINC000493713787 266181034 /nfs/dbraw/zinc/18/10/34/266181034.db2.gz AGWUQMRZAWINHR-AATRIKPKSA-N -1 0 312.347 -0.013 20 0 DBADRM C[C@](O)(CNC(=O)/C=C/c1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000493666090 266181043 /nfs/dbraw/zinc/18/10/43/266181043.db2.gz WEBQJOZKYIMMTR-SZTZYQKNSA-N -1 0 322.317 -0.484 20 0 DBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000493913682 266184010 /nfs/dbraw/zinc/18/40/10/266184010.db2.gz ATEIZBQIYYUBMU-UHFFFAOYSA-N -1 0 307.372 -0.031 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)ccn1 ZINC000494024790 266185601 /nfs/dbraw/zinc/18/56/01/266185601.db2.gz VBHMDPGQUHEKKU-QMMMGPOBSA-N -1 0 301.324 -0.061 20 0 DBADRM COC(=O)[C@@H](CNC(=O)Nc1ccc2c(c1)C(=O)NC2=O)OC ZINC000494440027 266193447 /nfs/dbraw/zinc/19/34/47/266193447.db2.gz WJLFJYPCEVWXMZ-SNVBAGLBSA-N -1 0 321.289 -0.120 20 0 DBADRM COC(=O)NCCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000495106967 266200961 /nfs/dbraw/zinc/20/09/61/266200961.db2.gz UKKWFHRRVDVJHV-MRVPVSSYSA-N -1 0 303.315 -0.830 20 0 DBADRM CCOC(=O)N1CCC(S(=O)(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000495485430 266206976 /nfs/dbraw/zinc/20/69/76/266206976.db2.gz BROIIEIGBWYMMD-QMMMGPOBSA-N -1 0 308.356 0.000 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000495507866 266207453 /nfs/dbraw/zinc/20/74/53/266207453.db2.gz AWSBOGMYQSACQZ-VIFPVBQESA-N -1 0 323.371 -0.684 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CN(C)C(=O)OC ZINC000495590152 266210243 /nfs/dbraw/zinc/21/02/43/266210243.db2.gz RJIUHSWXGWHKEU-YUMQZZPRSA-N -1 0 324.355 -0.672 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H](C)CNC(=O)OC(C)(C)C ZINC000495779164 266216146 /nfs/dbraw/zinc/21/61/46/266216146.db2.gz DRQBSWXYABZKQY-SECBINFHSA-N -1 0 319.358 -0.290 20 0 DBADRM CS(=O)(=O)N1CCCN(CCCOC(=O)NC(N)=O)CC1 ZINC000495799413 266217953 /nfs/dbraw/zinc/21/79/53/266217953.db2.gz PXZVBKSARBENCB-UHFFFAOYSA-N -1 0 322.387 -0.851 20 0 DBADRM COC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H](C)OC)C1 ZINC000495858646 266219516 /nfs/dbraw/zinc/21/95/16/266219516.db2.gz WYAIWDJEQKKPJR-VHSXEESVSA-N -1 0 322.383 -0.054 20 0 DBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C[C@H](C)OC)C(C)C ZINC000496103570 266226427 /nfs/dbraw/zinc/22/64/27/266226427.db2.gz TZGNFWORJQMJMY-IUCAKERBSA-N -1 0 310.372 -0.152 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000496387113 266234760 /nfs/dbraw/zinc/23/47/60/266234760.db2.gz NNVSBUXHSGGHEG-VIFPVBQESA-N -1 0 308.356 -0.443 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)OC)C(=O)[N-]S(=O)(=O)CCOC ZINC000496450734 266236303 /nfs/dbraw/zinc/23/63/03/266236303.db2.gz DNNCUGJEARELPQ-IUCAKERBSA-N -1 0 310.372 -0.151 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)CCOC(C)(C)C ZINC000496738201 266244278 /nfs/dbraw/zinc/24/42/78/266244278.db2.gz VJZNWNNTVKQOFL-UHFFFAOYSA-N -1 0 310.372 -0.054 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000496836658 266246919 /nfs/dbraw/zinc/24/69/19/266246919.db2.gz IBVQXGDUWYYGAH-LURJTMIESA-N -1 0 304.328 -0.722 20 0 DBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)C[C@H](C)OC ZINC000496971768 266251255 /nfs/dbraw/zinc/25/12/55/266251255.db2.gz BLLHZPVKCMABRJ-VIFPVBQESA-N -1 0 310.372 -0.006 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)OC[C@@H]1CCCO1 ZINC000496987635 266252050 /nfs/dbraw/zinc/25/20/50/266252050.db2.gz TVQUISGHSIPDSP-YUMQZZPRSA-N -1 0 312.282 -0.432 20 0 DBADRM C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1cnn(C)c1 ZINC000514600133 266261740 /nfs/dbraw/zinc/26/17/40/266261740.db2.gz LONUUMLSMFMFOJ-SCZZXKLOSA-N -1 0 302.356 -0.136 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000514669288 266263128 /nfs/dbraw/zinc/26/31/28/266263128.db2.gz ZFRGDYOKVHVZNH-SNVBAGLBSA-N -1 0 313.339 -0.259 20 0 DBADRM C[C@H](O)[C@H](NS(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C(=O)[O-] ZINC000514783306 266264861 /nfs/dbraw/zinc/26/48/61/266264861.db2.gz XSGGIRRNHAXGKP-LAEOZQHASA-N -1 0 317.367 -0.107 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@H]1CCC[C@H]1C(=O)[O-] ZINC000514792844 266264903 /nfs/dbraw/zinc/26/49/03/266264903.db2.gz OIXXRMAZGQEUGV-OPRDCNLKSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000514862900 266266327 /nfs/dbraw/zinc/26/63/27/266266327.db2.gz HXVVLJRBAALZBB-SFGNSQDASA-N -1 0 303.340 -0.357 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-] ZINC000514941310 266267879 /nfs/dbraw/zinc/26/78/79/266267879.db2.gz CMFCVSQGRIDMLK-LURJTMIESA-N -1 0 323.352 -0.521 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCCCC(=O)[O-])C1 ZINC000515379710 266272254 /nfs/dbraw/zinc/27/22/54/266272254.db2.gz NBYGHRDUMYQEFM-SNVBAGLBSA-N -1 0 321.399 -0.178 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)C1 ZINC000515467549 266272304 /nfs/dbraw/zinc/27/23/04/266272304.db2.gz COUBQJQEXMANCX-WCBMZHEXSA-N -1 0 302.356 -0.278 20 0 DBADRM C[C@H](C(=O)Nc1nccs1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000515852283 266275570 /nfs/dbraw/zinc/27/55/70/266275570.db2.gz WCBILVRLGKRKMO-MRVPVSSYSA-N -1 0 312.351 -0.301 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](C(=O)[O-])C(C)C ZINC000516071207 266276583 /nfs/dbraw/zinc/27/65/83/266276583.db2.gz FZWOKEABGATPRN-ZJUUUORDSA-N -1 0 306.384 -0.117 20 0 DBADRM NC(=O)c1ccc(F)cc1[N-]S(=O)(=O)N1CCOCC1 ZINC000516089841 266277506 /nfs/dbraw/zinc/27/75/06/266277506.db2.gz ZSYYXPVLMGISDE-UHFFFAOYSA-N -1 0 303.315 -0.087 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000516475879 266282282 /nfs/dbraw/zinc/28/22/82/266282282.db2.gz NFJXAYZAUIBZRV-SLXAELFLSA-N -1 0 311.381 -0.989 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)N(CCO)CC(=O)[O-] ZINC000516475356 266282346 /nfs/dbraw/zinc/28/23/46/266282346.db2.gz GNILGYDGRAFTKM-UHFFFAOYSA-N -1 0 308.381 -0.297 20 0 DBADRM Cc1cnc2nc(C(=O)N[C@@]3(CC(=O)[O-])CCOC3)nn2c1 ZINC000516787391 266284421 /nfs/dbraw/zinc/28/44/21/266284421.db2.gz UQXIXHZQXDHRFQ-CYBMUJFWSA-N -1 0 305.294 -0.204 20 0 DBADRM O=C([O-])C[C@@]1(NS(=O)(=O)CC2CCOCC2)CCOC1 ZINC000516966077 266287822 /nfs/dbraw/zinc/28/78/22/266287822.db2.gz TUYDYWNVXVINDU-LBPRGKRZSA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])C[C@H](CNS(=O)(=O)N1CCOCC1)C(F)F ZINC000517200894 266291139 /nfs/dbraw/zinc/29/11/39/266291139.db2.gz GCESHHFHDUGUMA-SSDOTTSWSA-N -1 0 302.299 -0.491 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cn1 ZINC000517738404 266296150 /nfs/dbraw/zinc/29/61/50/266296150.db2.gz QDMALKZDJLJXHC-LBPRGKRZSA-N -1 0 315.351 -0.330 20 0 DBADRM Cn1nccc1[C@@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-] ZINC000517926421 266297621 /nfs/dbraw/zinc/29/76/21/266297621.db2.gz RLLLUAQURXCPMC-LLVKDONJSA-N -1 0 317.367 -0.108 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000518184750 266299950 /nfs/dbraw/zinc/29/99/50/266299950.db2.gz DNTHOSNGTAVSDB-UWVGGRQHSA-N -1 0 321.399 -0.625 20 0 DBADRM CN(CC(C)(C)O)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000518514780 266301132 /nfs/dbraw/zinc/30/11/32/266301132.db2.gz USWZLSNDEOHLIH-SNVBAGLBSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000518541918 266303144 /nfs/dbraw/zinc/30/31/44/266303144.db2.gz DEXBLXPFXLSTDG-UTLUCORTSA-N -1 0 306.384 -0.165 20 0 DBADRM CC(C)CO[C@H](C)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000518755729 266303331 /nfs/dbraw/zinc/30/33/31/266303331.db2.gz OAVXJNJQRVKKNO-ZJUUUORDSA-N -1 0 307.368 -0.242 20 0 DBADRM COCCCOC1CN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C1 ZINC000518765117 266303727 /nfs/dbraw/zinc/30/37/27/266303727.db2.gz KZUBHERAEOYTAG-LLVKDONJSA-N -1 0 322.383 -0.483 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000519539415 266309944 /nfs/dbraw/zinc/30/99/44/266309944.db2.gz KBCIOFPEMSCTKK-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)N(C)CC(=O)[O-])CC1 ZINC000519563316 266311403 /nfs/dbraw/zinc/31/14/03/266311403.db2.gz DFEQONVYCORMTQ-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000519602125 266311475 /nfs/dbraw/zinc/31/14/75/266311475.db2.gz IQTKNIIOELUSQG-LMLFDSFASA-N -1 0 318.395 -0.022 20 0 DBADRM NS(=O)(=O)CC1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC000519659931 266312922 /nfs/dbraw/zinc/31/29/22/266312922.db2.gz XTIRYJBWZRHCPE-UHFFFAOYSA-N -1 0 300.340 -0.320 20 0 DBADRM O=C([O-])C[C@@]1(NS(=O)(=O)CCOCC2CC2)CCOC1 ZINC000519697721 266313533 /nfs/dbraw/zinc/31/35/33/266313533.db2.gz IMVSVOFAEUGKOY-LBPRGKRZSA-N -1 0 307.368 -0.034 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@@H]2C2CC2)C[C@H]1C(=O)[O-] ZINC000519817524 266315215 /nfs/dbraw/zinc/31/52/15/266315215.db2.gz ZAKKCNJVNSQGER-KXGXSXBTSA-N -1 0 310.350 -0.151 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCO[C@@H]2C2CC2)C1 ZINC000520212951 266316213 /nfs/dbraw/zinc/31/62/13/266316213.db2.gz OOSYFOQISZQAQX-QJPTWQEYSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C(=O)[O-] ZINC000520582888 266319891 /nfs/dbraw/zinc/31/98/91/266319891.db2.gz DOQNUHDRHQKWMZ-NXEZZACHSA-N -1 0 309.322 -0.884 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000520797294 266321232 /nfs/dbraw/zinc/32/12/32/266321232.db2.gz CUVTXPVHTYDNBN-ZYHUDNBSSA-N -1 0 307.368 -0.082 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000520797291 266321312 /nfs/dbraw/zinc/32/13/12/266321312.db2.gz CUVTXPVHTYDNBN-PWSUYJOCSA-N -1 0 307.368 -0.082 20 0 DBADRM NC(=O)C(NC(=O)c1cccc(Br)c1[O-])C(N)=O ZINC000520716099 266322570 /nfs/dbraw/zinc/32/25/70/266322570.db2.gz LFORGOPCEHUFQA-UHFFFAOYSA-N -1 0 316.111 -0.776 20 0 DBADRM O=C([O-])C[C@@]1(NS(=O)(=O)CC[C@@H]2CCOC2)CCOC1 ZINC000521426907 266325544 /nfs/dbraw/zinc/32/55/44/266325544.db2.gz TWOZETBVTYDLRC-JQWIXIFHSA-N -1 0 307.368 -0.034 20 0 DBADRM COCC1(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)CC1 ZINC000521271817 266326711 /nfs/dbraw/zinc/32/67/11/266326711.db2.gz MMULJFUJKJAIEJ-UWVGGRQHSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)[C@@H]1CO ZINC000521609666 266327502 /nfs/dbraw/zinc/32/75/02/266327502.db2.gz ADLKYQDCPOBCFZ-PVTKRXDGSA-N -1 0 324.377 -0.071 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000521869597 266330218 /nfs/dbraw/zinc/33/02/18/266330218.db2.gz HXVKEWYNRHLYPG-VIFPVBQESA-N -1 0 303.340 -0.407 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000521882793 266331171 /nfs/dbraw/zinc/33/11/71/266331171.db2.gz QGXDBRGOFWETMU-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM Cn1[n-]nnc1=NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000522106286 266334324 /nfs/dbraw/zinc/33/43/24/266334324.db2.gz KZFRTBSYTRDZPJ-JTQLQIEISA-N -1 0 318.337 -0.632 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)c2cccc3n[nH]nc32)C1 ZINC000527111732 266354047 /nfs/dbraw/zinc/35/40/47/266354047.db2.gz IOGRAKTYTGUVDP-VIFPVBQESA-N -1 0 323.378 -0.031 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000528992919 266382506 /nfs/dbraw/zinc/38/25/06/266382506.db2.gz FROVTLNQVYQXJU-OORONAJNSA-N -1 0 302.356 -0.321 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@]1(C)Br ZINC000528993109 266382659 /nfs/dbraw/zinc/38/26/59/266382659.db2.gz IGHSDFPUPAVEMT-XRGYYRRGSA-N -1 0 323.172 -0.207 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cocc2C)CC1 ZINC000529021187 266382767 /nfs/dbraw/zinc/38/27/67/266382767.db2.gz ABTCHYFHWZPSQD-UHFFFAOYSA-N -1 0 315.351 -0.273 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)c(C)o1 ZINC000528958159 266382925 /nfs/dbraw/zinc/38/29/25/266382925.db2.gz ALIMOWYAQRVALC-UHFFFAOYSA-N -1 0 324.380 -0.082 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)CO1 ZINC000529107036 266383530 /nfs/dbraw/zinc/38/35/30/266383530.db2.gz JBTPGDHAQHXZHX-RKDXNWHRSA-N -1 0 304.368 -0.474 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)CO1 ZINC000529112001 266384089 /nfs/dbraw/zinc/38/40/89/266384089.db2.gz YWPYGZJHBYZDQH-MRVPVSSYSA-N -1 0 315.351 -0.097 20 0 DBADRM CC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)C1 ZINC000529109699 266384210 /nfs/dbraw/zinc/38/42/10/266384210.db2.gz REBXNUSFBLURKV-WDEREUQCSA-N -1 0 318.395 -0.132 20 0 DBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)cn1 ZINC000529109776 266384304 /nfs/dbraw/zinc/38/43/04/266384304.db2.gz MYTRICPPGKYDTC-JTQLQIEISA-N -1 0 301.368 -0.024 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000529702944 266393046 /nfs/dbraw/zinc/39/30/46/266393046.db2.gz DHYZEKWAMKXWQK-LURJTMIESA-N -1 0 304.397 -0.112 20 0 DBADRM CC1(c2nc(=NC(=O)CN3CCCS3(=O)=O)s[n-]2)CC1 ZINC000529703696 266393799 /nfs/dbraw/zinc/39/37/99/266393799.db2.gz KTSRDEMIDPXYRH-UHFFFAOYSA-N -1 0 316.408 -0.015 20 0 DBADRM CC1(c2nc(=NC(=O)CN3CCC(=O)NC3=O)s[n-]2)CC1 ZINC000529704099 266393982 /nfs/dbraw/zinc/39/39/82/266393982.db2.gz HSGLYGCXCLYTQX-UHFFFAOYSA-N -1 0 309.351 -0.108 20 0 DBADRM COc1ccc(CCNC(=O)c2cnc([O-])n(C)c2=O)cn1 ZINC000529886298 266401432 /nfs/dbraw/zinc/40/14/32/266401432.db2.gz NVWXGLBLFCYXTF-UHFFFAOYSA-N -1 0 304.306 -0.138 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000530149450 266405752 /nfs/dbraw/zinc/40/57/52/266405752.db2.gz HZUCVOVSOCMLNA-UMNHJUIQSA-N -1 0 322.383 -0.484 20 0 DBADRM CCn1cncc1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530149957 266405848 /nfs/dbraw/zinc/40/58/48/266405848.db2.gz JQMYRYLXWQQPPV-BDAKNGLRSA-N -1 0 303.340 -0.234 20 0 DBADRM C[C@@H]1C[C@@H](NS(=O)(=O)c2c(C(=O)[O-])cnn2C)CCO1 ZINC000530155649 266406151 /nfs/dbraw/zinc/40/61/51/266406151.db2.gz WLFBFUCPMUKZBC-SFYZADRCSA-N -1 0 303.340 -0.036 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000262857931 278096366 /nfs/dbraw/zinc/09/63/66/278096366.db2.gz TUADEZDLABPMCR-YGRLFVJLSA-N -1 0 313.354 -0.612 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC000262603915 278113687 /nfs/dbraw/zinc/11/36/87/278113687.db2.gz KFWMTBUVDKUPJS-SECBINFHSA-N -1 0 313.354 -0.517 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000281968977 278139245 /nfs/dbraw/zinc/13/92/45/278139245.db2.gz FDZMBNIEZQOUQV-JTQLQIEISA-N -1 0 321.399 -0.881 20 0 DBADRM CC(=O)N[C@H](CC(=O)N(CC(=O)[O-])c1ccccc1)C(N)=O ZINC000337766165 278167847 /nfs/dbraw/zinc/16/78/47/278167847.db2.gz ZPECDZNGMNINPR-LLVKDONJSA-N -1 0 307.306 -0.516 20 0 DBADRM C[C@@H](C(=O)[N-]OCC(N)=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000089464954 278209174 /nfs/dbraw/zinc/20/91/74/278209174.db2.gz FUVJCIVOXFHCON-NSHDSACASA-N -1 0 324.356 -0.131 20 0 DBADRM CC(C)C[C@@H]1C[C@@H](C(=O)NCCc2nc(=O)o[n-]2)CC(=O)N1 ZINC000447638037 279048456 /nfs/dbraw/zinc/04/84/56/279048456.db2.gz VDOQTFFLWUOZLL-NXEZZACHSA-N -1 0 310.354 -0.038 20 0 DBADRM CC(C)C[C@H](CNC(=O)CN1CCCS1(=O)=O)C(=O)[O-] ZINC000262149458 279147853 /nfs/dbraw/zinc/14/78/53/279147853.db2.gz LRSKQYCOOYNKHU-SNVBAGLBSA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@H](C(=O)[N-]OCC(N)=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000089464957 279226854 /nfs/dbraw/zinc/22/68/54/279226854.db2.gz FUVJCIVOXFHCON-LLVKDONJSA-N -1 0 324.356 -0.131 20 0 DBADRM CC(C)[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)N1CCOCC1 ZINC000267697813 280252922 /nfs/dbraw/zinc/25/29/22/280252922.db2.gz PQFWSKSSPXQULG-LBPRGKRZSA-N -1 0 324.381 -0.428 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@@H](O)C[C@H]1CO ZINC000365315017 280292374 /nfs/dbraw/zinc/29/23/74/280292374.db2.gz HJRFNSROSXTECV-CIUDSAMLSA-N -1 0 312.288 -0.356 20 0 DBADRM CC[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@]2(CCOC2)O1 ZINC000366522972 288276724 /nfs/dbraw/zinc/27/67/24/288276724.db2.gz SQMPNHLBDVGSKB-ZUZCIYMTSA-N -1 0 323.349 -0.104 20 0 DBADRM CN1CCC[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1=O ZINC000359597961 289946956 /nfs/dbraw/zinc/94/69/56/289946956.db2.gz LZMGXLLSUYPOOI-SECBINFHSA-N -1 0 317.305 -0.213 20 0 DBADRM CN1CCO[C@H]2CCN(S(=O)(=O)[N-]CC(F)(F)F)C[C@H]21 ZINC000341041470 290114775 /nfs/dbraw/zinc/11/47/75/290114775.db2.gz MXNHLSQQBUXDLQ-BDAKNGLRSA-N -1 0 317.333 -0.212 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CCCCS1(=O)=O ZINC000262864443 293242204 /nfs/dbraw/zinc/24/22/04/293242204.db2.gz DTCYPJRJIZAQJI-CABZTGNLSA-N -1 0 307.368 -0.050 20 0 DBADRM CO[C@@H]1CC[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000188291746 293771519 /nfs/dbraw/zinc/77/15/19/293771519.db2.gz HFDJATGPPHLHSN-RKDXNWHRSA-N -1 0 304.306 -0.091 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)[N-]CC(F)(F)F)C[C@H](C)N1CCO ZINC000451893759 297057709 /nfs/dbraw/zinc/05/77/09/297057709.db2.gz YDFFAJYDXJGECV-DTORHVGOSA-N -1 0 319.349 -0.230 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)C[C@H](C)O1 ZINC000085855753 297059390 /nfs/dbraw/zinc/05/93/90/297059390.db2.gz AVGVREZRDXJGOS-WCABBAIRSA-N -1 0 308.356 -0.826 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NCCCC(=O)[O-] ZINC000263370545 295531328 /nfs/dbraw/zinc/53/13/28/295531328.db2.gz MSLKUUUVGWAMMS-UWVGGRQHSA-N -1 0 321.399 -0.132 20 0 DBADRM C[C@@](O)(CNC(=O)CN1C(=O)CCc2ccccc21)C(=O)[O-] ZINC000262503696 297850875 /nfs/dbraw/zinc/85/08/75/297850875.db2.gz KZJMWQPQUZJNGH-OAHLLOKOSA-N -1 0 306.318 -0.082 20 0 DBADRM C[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)N1C(=O)NC2(CCCC2)C1=O ZINC000359801202 298166371 /nfs/dbraw/zinc/16/63/71/298166371.db2.gz KMMZFMGDXGFCES-SSDOTTSWSA-N -1 0 322.325 -0.620 20 0 DBADRM C[C@H](C(=O)[N-]S(C)(=O)=O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000407951952 298167022 /nfs/dbraw/zinc/16/70/22/298167022.db2.gz XWZXUAXCQXRLBX-IWSPIJDZSA-N -1 0 302.352 -0.374 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)Cn1cnc2c(cnn2C)c1=O)C1CC1 ZINC000362468626 298202103 /nfs/dbraw/zinc/20/21/03/298202103.db2.gz VTUFZYDBQYZZPL-MRVPVSSYSA-N -1 0 319.321 -0.406 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)CSCC(=O)N1CCOCC1 ZINC000054051463 298206906 /nfs/dbraw/zinc/20/69/06/298206906.db2.gz OILBLFVDWPOBIC-SECBINFHSA-N -1 0 304.368 -0.490 20 0 DBADRM Cc1csc2ncc(C(=O)N3CCOC[C@@H]3C(=O)[O-])c(=O)n12 ZINC000262798100 302458871 /nfs/dbraw/zinc/45/88/71/302458871.db2.gz RBUOBCDWXBWJKD-SECBINFHSA-N -1 0 323.330 -0.010 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000287394087 302795515 /nfs/dbraw/zinc/79/55/15/302795515.db2.gz DGAHLXWKFPKYRY-SCZZXKLOSA-N -1 0 303.340 -0.409 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCNC(=O)[C@H]1C ZINC000110662583 302869874 /nfs/dbraw/zinc/86/98/74/302869874.db2.gz IEJBGRSDDAUQGO-ZCFIWIBFSA-N -1 0 302.308 -0.205 20 0 DBADRM Cn1c(=O)[nH]c2ccc(C(=O)N[C@]3(C(=O)[O-])CCOC3)cc21 ZINC000263006362 302891983 /nfs/dbraw/zinc/89/19/83/302891983.db2.gz VYQKDWZFELDJRF-CQSZACIVSA-N -1 0 305.290 -0.160 20 0 DBADRM Cn1c2ccccc2n(CC(=O)N2CCOC[C@H]2C(=O)[O-])c1=O ZINC000262424432 302902171 /nfs/dbraw/zinc/90/21/71/302902171.db2.gz DBPQOKAKBOHPJM-LBPRGKRZSA-N -1 0 319.317 -0.348 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000227866740 303049825 /nfs/dbraw/zinc/04/98/25/303049825.db2.gz HDJSTLSWOIBHFZ-ZETCQYMHSA-N -1 0 323.758 -0.062 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000021815076 303247972 /nfs/dbraw/zinc/24/79/72/303247972.db2.gz CKSFSJQZWCRPEI-QMMMGPOBSA-N -1 0 304.299 -0.177 20 0 DBADRM NC(=O)COc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000262119423 303252701 /nfs/dbraw/zinc/25/27/01/303252701.db2.gz KPJFBTHDAQQLCN-NSHDSACASA-N -1 0 308.290 -0.524 20 0 DBADRM NC(=O)c1cccc(CN2Cc3n[nH]c(=O)n3C[C@H]2C(=O)[O-])c1 ZINC000263050115 303346227 /nfs/dbraw/zinc/34/62/27/303346227.db2.gz KQQJLWNIXSXPQQ-JTQLQIEISA-N -1 0 317.305 -0.861 20 0 DBADRM O=C(N[C@H]1CCCC[C@H]1O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000152049418 303954557 /nfs/dbraw/zinc/95/45/57/303954557.db2.gz ONGNKKMIJOPIKR-VHSXEESVSA-N -1 0 304.306 -0.355 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000570632391 332786332 /nfs/dbraw/zinc/78/63/32/332786332.db2.gz MLUROYZJSIVYPG-WISYIIOYSA-N -1 0 312.366 -0.215 20 0 DBADRM COCCOCC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000570725328 332807449 /nfs/dbraw/zinc/80/74/49/332807449.db2.gz SLTCVBIBTXGGJW-JTQLQIEISA-N -1 0 312.326 -0.197 20 0 DBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000570798856 332817362 /nfs/dbraw/zinc/81/73/62/332817362.db2.gz DVDGMDXCCOOJGG-OUAUKWLOSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2ncccn2)C[C@@H]1C(=O)[O-] ZINC000570867987 332831672 /nfs/dbraw/zinc/83/16/72/332831672.db2.gz NPFUJUGOLSENON-ZJUUUORDSA-N -1 0 306.322 -0.338 20 0 DBADRM COCC1(S(=O)(=O)N2CC[C@@](COC)(C(=O)[O-])C2)CC1 ZINC000575057165 332886609 /nfs/dbraw/zinc/88/66/09/332886609.db2.gz IKTQMSWGCTXPSD-LLVKDONJSA-N -1 0 307.368 -0.082 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000584053366 331654216 /nfs/dbraw/zinc/65/42/16/331654216.db2.gz JFOBNAFCDAKUJI-GHMZBOCLSA-N -1 0 308.290 -0.147 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000580074707 332928525 /nfs/dbraw/zinc/92/85/25/332928525.db2.gz ZWUARTULECEFMR-UWVGGRQHSA-N -1 0 304.368 -0.409 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000566174377 332018122 /nfs/dbraw/zinc/01/81/22/332018122.db2.gz QBKQQAYIZJVEFM-ZRUFSTJUSA-N -1 0 304.368 -0.063 20 0 DBADRM C[C@@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC000566181193 332024059 /nfs/dbraw/zinc/02/40/59/332024059.db2.gz HXOCOLBSDUECPE-KXUCPTDWSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)c2cnc(C(=O)[O-])cn2)CCS1(=O)=O ZINC000569366685 332064857 /nfs/dbraw/zinc/06/48/57/332064857.db2.gz GABZNLSCYNZGJH-JGVFFNPUSA-N -1 0 313.335 -0.178 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000569457140 332090107 /nfs/dbraw/zinc/09/01/07/332090107.db2.gz SLHKXKCVIWTCGU-SECBINFHSA-N -1 0 311.338 -0.715 20 0 DBADRM COCC1(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)CC1 ZINC000569461090 332093439 /nfs/dbraw/zinc/09/34/39/332093439.db2.gz MIDYZCUSXJUYEM-RKDXNWHRSA-N -1 0 320.367 -0.854 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)NC(C)(C)CC(=O)[O-])cn1 ZINC000569544234 332132530 /nfs/dbraw/zinc/13/25/30/332132530.db2.gz MLRBVGAUSCFTTR-UHFFFAOYSA-N -1 0 319.339 -0.412 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000566234981 332270543 /nfs/dbraw/zinc/27/05/43/332270543.db2.gz VIRJGWYNJHKNQJ-JRPNMDOOSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000566234982 332270584 /nfs/dbraw/zinc/27/05/84/332270584.db2.gz VIRJGWYNJHKNQJ-ZETOZRRWSA-N -1 0 310.350 -0.053 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1 ZINC000577458721 332281321 /nfs/dbraw/zinc/28/13/21/332281321.db2.gz ACQGEDVHFLFCOV-VIFPVBQESA-N -1 0 313.397 -0.453 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)[C@H]1CCO[C@H]1C)C(=O)[O-] ZINC000578366334 332354965 /nfs/dbraw/zinc/35/49/65/332354965.db2.gz XAVBZINXGOBTGU-YIZRAAEISA-N -1 0 309.340 -0.510 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000583444446 332415052 /nfs/dbraw/zinc/41/50/52/332415052.db2.gz ZYNGVJVDQALLRR-RITPCOANSA-N -1 0 302.299 -0.509 20 0 DBADRM COc1cccc(CS(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1 ZINC000570034220 332704584 /nfs/dbraw/zinc/70/45/84/332704584.db2.gz UVNMDNLCWYTOOX-NSHDSACASA-N -1 0 303.336 -0.050 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)cn1 ZINC000572637031 332709690 /nfs/dbraw/zinc/70/96/90/332709690.db2.gz LQSULYIETRYKJT-MXWKQRLJSA-N -1 0 315.351 -0.187 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F ZINC000572607421 332739146 /nfs/dbraw/zinc/73/91/46/332739146.db2.gz XWHFYLQHBOXBBA-NKWVEPMBSA-N -1 0 316.326 -0.262 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000570393998 332749668 /nfs/dbraw/zinc/74/96/68/332749668.db2.gz ZFTAYNXPBRXSSQ-HVEIVCGCSA-N -1 0 324.424 -0.379 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)CC1=O ZINC000388353408 333279560 /nfs/dbraw/zinc/27/95/60/333279560.db2.gz MHGARNAYGCLHGB-LURJTMIESA-N -1 0 304.349 -0.045 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1)C1CC1 ZINC000582120419 333298926 /nfs/dbraw/zinc/29/89/26/333298926.db2.gz VMRACZGTIOYZLZ-ZYHUDNBSSA-N -1 0 307.368 -0.035 20 0 DBADRM COCc1ccc(OC)c(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000571051414 333493861 /nfs/dbraw/zinc/49/38/61/333493861.db2.gz WFHCECJOEXXQQK-VIFPVBQESA-N -1 0 319.335 -0.435 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C1CN(C(C)=O)C1 ZINC000571418767 333788208 /nfs/dbraw/zinc/78/82/08/333788208.db2.gz ZTINDFNLKOPDPZ-UHFFFAOYSA-N -1 0 319.364 -0.561 20 0 DBADRM CN(CC(=O)N(CCC(=O)[O-])C1CCOCC1)S(C)(=O)=O ZINC000571470950 333792450 /nfs/dbraw/zinc/79/24/50/333792450.db2.gz TYOCBEURSSHBQO-UHFFFAOYSA-N -1 0 322.383 -0.640 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C[C@H](C)O1 ZINC000582179082 335733378 /nfs/dbraw/zinc/73/33/78/335733378.db2.gz IYFKUVWZOHEQKF-YUMQZZPRSA-N -1 0 319.339 -0.468 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-] ZINC000583567586 335733715 /nfs/dbraw/zinc/73/37/15/335733715.db2.gz DOCAGHGHDIUYPB-IUCAKERBSA-N -1 0 311.356 -0.405 20 0 DBADRM CC(=O)c1cccc(S(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000389109018 335744560 /nfs/dbraw/zinc/74/45/60/335744560.db2.gz SSKMBHCCSLDTLT-UHFFFAOYSA-N -1 0 301.320 -0.043 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H]1C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000567099206 336394837 /nfs/dbraw/zinc/39/48/37/336394837.db2.gz SSOMJPIEPCHZHB-NEPJUHHUSA-N -1 0 305.334 -0.250 20 0 DBADRM CCC[C@@](C)(NC(=O)NCCNS(=O)(=O)CC)C(=O)[O-] ZINC000390151061 336934586 /nfs/dbraw/zinc/93/45/86/336934586.db2.gz JDXSDVJFGAAHFZ-LLVKDONJSA-N -1 0 309.388 -0.132 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)C(=O)NCCCC(=O)[O-] ZINC000582301860 336900485 /nfs/dbraw/zinc/90/04/85/336900485.db2.gz YFQOEMJXNXQKTI-UHFFFAOYSA-N -1 0 301.343 -0.754 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000582304113 336903997 /nfs/dbraw/zinc/90/39/97/336903997.db2.gz ANOHTKONDLLNBP-VHSXEESVSA-N -1 0 306.384 -0.117 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000582304112 336904027 /nfs/dbraw/zinc/90/40/27/336904027.db2.gz ANOHTKONDLLNBP-UWVGGRQHSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)C[C@@]1(C)C(=O)[O-] ZINC000582491129 337098382 /nfs/dbraw/zinc/09/83/82/337098382.db2.gz HNTDIOLCPBLLQO-YMTOWFKASA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCn3cncc3C2)C[C@H]1C(=O)[O-] ZINC000582546691 337103367 /nfs/dbraw/zinc/10/33/67/337103367.db2.gz FFZPJGYIMKXLFJ-ZYHUDNBSSA-N -1 0 320.349 -0.206 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)cn1 ZINC000582582768 337109785 /nfs/dbraw/zinc/10/97/85/337109785.db2.gz KMZDLEGWAWCQMT-MWLCHTKSSA-N -1 0 317.367 -0.251 20 0 DBADRM O=C(Cn1cc(NC(=O)c2nc[nH]n2)cn1)N1CCOCC1 ZINC000582924228 337218162 /nfs/dbraw/zinc/21/81/62/337218162.db2.gz ACQDGFZFIDDDIC-UHFFFAOYSA-N -1 0 305.298 -0.888 20 0 DBADRM C[C@H](NC(=O)NCC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000583027956 337230698 /nfs/dbraw/zinc/23/06/98/337230698.db2.gz FQDYIZUZXPNQIU-QMMMGPOBSA-N -1 0 307.372 -0.570 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)nn1 ZINC000583028749 337230836 /nfs/dbraw/zinc/23/08/36/337230836.db2.gz UHGUJQKADFOTLL-DTWKUNHWSA-N -1 0 310.310 -0.366 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1)C1CC1 ZINC000583202208 337268833 /nfs/dbraw/zinc/26/88/33/337268833.db2.gz SWVQYIHLTBTZHU-WDEREUQCSA-N -1 0 307.368 -0.083 20 0 DBADRM COCCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013314265 337311135 /nfs/dbraw/zinc/31/11/35/337311135.db2.gz GCHCTKJVOBNNJB-UHFFFAOYSA-N -1 0 322.364 -0.513 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)N1CCCCCC1)C(=O)[O-] ZINC000021038798 337333577 /nfs/dbraw/zinc/33/35/77/337333577.db2.gz LDTMGWAERGDQTQ-SECBINFHSA-N -1 0 307.372 -0.585 20 0 DBADRM C[C@H]1CCCN(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC000021793737 337337984 /nfs/dbraw/zinc/33/79/84/337337984.db2.gz KYZBIDJHKIPASO-ONGXEEELSA-N -1 0 316.383 -0.028 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cccc(Cl)c1 ZINC000035085360 337339471 /nfs/dbraw/zinc/33/94/71/337339471.db2.gz IQESWXZFVMOAAO-UHFFFAOYSA-N -1 0 306.727 -0.181 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](CC)C(=O)[O-] ZINC000035410766 337343427 /nfs/dbraw/zinc/34/34/27/337343427.db2.gz GZNQIMQHQGXKET-DTWKUNHWSA-N -1 0 308.356 -0.289 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)NCCOCC(=O)[O-])cn1 ZINC000584467804 337347406 /nfs/dbraw/zinc/34/74/06/337347406.db2.gz JANFKDNKKVQYDE-UHFFFAOYSA-N -1 0 303.340 -0.473 20 0 DBADRM CCCN(CCC)S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000037462970 337363985 /nfs/dbraw/zinc/36/39/85/337363985.db2.gz KPIPGQMTAJXAJW-SECBINFHSA-N -1 0 309.388 -0.339 20 0 DBADRM CN(Cc1cnn(C)c1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000037831468 337368020 /nfs/dbraw/zinc/36/80/20/337368020.db2.gz VGFQFPSYTUNBGO-NSHDSACASA-N -1 0 316.383 -0.107 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCc1ncccn1)C(=O)[O-] ZINC000584665906 337381062 /nfs/dbraw/zinc/38/10/62/337381062.db2.gz DDTDEYNOBNJVAJ-SNVBAGLBSA-N -1 0 308.338 -0.044 20 0 DBADRM C[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H]1C(=O)[O-] ZINC000572120784 337591662 /nfs/dbraw/zinc/59/16/62/337591662.db2.gz AOOYZIYLKANJIY-IUCAKERBSA-N -1 0 311.338 -0.114 20 0 DBADRM O=C([O-])[C@@H](NC(=O)NCCCn1ccnn1)[C@@H]1CCCOC1 ZINC000572198109 337596392 /nfs/dbraw/zinc/59/63/92/337596392.db2.gz NFCLWUZVJCVWRY-MNOVXSKESA-N -1 0 311.342 -0.153 20 0 DBADRM C[C@@H](CC#N)N(C)S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000572243739 337598480 /nfs/dbraw/zinc/59/84/80/337598480.db2.gz IAQWTVKNTKLDNX-JTQLQIEISA-N -1 0 319.383 -0.064 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1ncnn1C ZINC000572243811 337598504 /nfs/dbraw/zinc/59/85/04/337598504.db2.gz RHYUZEJHARDRLX-UTLUCORTSA-N -1 0 323.353 -0.439 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000572286085 337604873 /nfs/dbraw/zinc/60/48/73/337604873.db2.gz SGKMLIFWQUQLJY-DCAQKATOSA-N -1 0 300.355 -0.215 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)NCc2cn(CC(=O)[O-])nn2)CC1=O ZINC000321875378 337664698 /nfs/dbraw/zinc/66/46/98/337664698.db2.gz QZPCWNNWURMCNO-JTQLQIEISA-N -1 0 323.353 -0.517 20 0 DBADRM N#CC1(CS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])CCCCC1 ZINC000547553836 341222087 /nfs/dbraw/zinc/22/20/87/341222087.db2.gz HAECTFDNRNZYGB-SECBINFHSA-N -1 0 317.367 -0.292 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000566007865 341545337 /nfs/dbraw/zinc/54/53/37/341545337.db2.gz WBXMQZRCVQPULR-JTQLQIEISA-N -1 0 309.384 -0.100 20 0 DBADRM CCN(CC)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000566047065 341546329 /nfs/dbraw/zinc/54/63/29/341546329.db2.gz WLSLZYVOBMLLQN-PWSUYJOCSA-N -1 0 306.384 -0.004 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1C ZINC000566096104 341547514 /nfs/dbraw/zinc/54/75/14/341547514.db2.gz KPJSJMKYSULGFM-MRVPVSSYSA-N -1 0 301.324 -0.650 20 0 DBADRM CSc1nc(=NC(=O)N[C@@H]2CCC(=O)N(C)C2=O)s[n-]1 ZINC000566144471 341548947 /nfs/dbraw/zinc/54/89/47/341548947.db2.gz SJWLRBDQEDXFTD-RXMQYKEDSA-N -1 0 315.380 -0.049 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CCO1 ZINC000566177004 341549937 /nfs/dbraw/zinc/54/99/37/341549937.db2.gz OAVKUQRXJNJJNV-SECBINFHSA-N -1 0 319.339 -0.996 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)c1cnc(C(=O)[O-])cn1 ZINC000566223813 341551169 /nfs/dbraw/zinc/55/11/69/341551169.db2.gz LSPJDEAQWNQFAE-SSDOTTSWSA-N -1 0 301.324 -0.272 20 0 DBADRM CCCNC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000566227754 341551296 /nfs/dbraw/zinc/55/12/96/341551296.db2.gz MHMSSWFNGHZOJI-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC000566227033 341551354 /nfs/dbraw/zinc/55/13/54/341551354.db2.gz BJBYSYKYSKRSOC-UHFFFAOYSA-N -1 0 321.289 -0.063 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CN1CCCS1(=O)=O)CC1CC1 ZINC000566345219 341554649 /nfs/dbraw/zinc/55/46/49/341554649.db2.gz NXPKOEWLXBVHJU-JTQLQIEISA-N -1 0 304.368 -0.361 20 0 DBADRM C[C@](CO)(CNS(=O)(=O)CCOC(F)(F)F)CC(=O)[O-] ZINC000566907695 341571380 /nfs/dbraw/zinc/57/13/80/341571380.db2.gz LCYSPMYTXGJYQX-MRVPVSSYSA-N -1 0 323.289 -0.085 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000566915229 341571588 /nfs/dbraw/zinc/57/15/88/341571588.db2.gz HSLYTESBIQWLBE-VHSXEESVSA-N -1 0 313.354 -0.802 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cnc(C(=O)[O-])cn2)O1 ZINC000567384947 341600400 /nfs/dbraw/zinc/60/04/00/341600400.db2.gz WGIHPPYQBSAPIL-LDYMZIIASA-N -1 0 322.321 -0.460 20 0 DBADRM CC(=O)NCCN(C(=O)Cc1cc(C)nn1C)[C@@H](C)C(=O)[O-] ZINC000567471594 341608803 /nfs/dbraw/zinc/60/88/03/341608803.db2.gz SHMCQMIHNXTXJU-JTQLQIEISA-N -1 0 310.354 -0.291 20 0 DBADRM CC[C@H](C)C[C@@H](NC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC000567504195 341611109 /nfs/dbraw/zinc/61/11/09/341611109.db2.gz FQSLZDGIXIOPTD-VHSXEESVSA-N -1 0 321.337 -0.103 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@H]2CCCOC2)C1 ZINC000567687592 341627652 /nfs/dbraw/zinc/62/76/52/341627652.db2.gz YWZORBYVOBIORG-JQWIXIFHSA-N -1 0 307.368 -0.082 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)N(C)CCC(=O)[O-])n(C)c1 ZINC000567863296 341637418 /nfs/dbraw/zinc/63/74/18/341637418.db2.gz IYNDRORYYYFSIV-UHFFFAOYSA-N -1 0 317.367 -0.178 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)NC[C@@](C)(O)C(=O)[O-])cc1C ZINC000567863576 341637479 /nfs/dbraw/zinc/63/74/79/341637479.db2.gz UYALPZZNCYZBJD-OAHLLOKOSA-N -1 0 308.334 -0.015 20 0 DBADRM CN1CCN(C(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1=O ZINC000568072242 341649942 /nfs/dbraw/zinc/64/99/42/341649942.db2.gz XSHHKLKREVISOE-UHFFFAOYSA-N -1 0 319.317 -0.698 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NCc1ccc(C(=O)[O-])o1 ZINC000568889822 341684631 /nfs/dbraw/zinc/68/46/31/341684631.db2.gz WXVQYZOZWZLCRJ-SSDOTTSWSA-N -1 0 304.324 -0.126 20 0 DBADRM CCN(CC(=O)[O-])C(=O)NC1CCN(S(=O)(=O)CC)CC1 ZINC000573234322 341721915 /nfs/dbraw/zinc/72/19/15/341721915.db2.gz JOTAKHWHFSPOQP-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM C[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@@H]1C(=O)[O-] ZINC000573324789 341724985 /nfs/dbraw/zinc/72/49/85/341724985.db2.gz ZECCBKLHJYSTJU-IUCAKERBSA-N -1 0 311.338 -0.114 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)cn1 ZINC000573400140 341727429 /nfs/dbraw/zinc/72/74/29/341727429.db2.gz HHYJNECVBRJWFB-CMPLNLGQSA-N -1 0 315.351 -0.468 20 0 DBADRM CCCc1nc(=NC(=O)C(=O)N[C@@H]2COC[C@H]2OC)s[n-]1 ZINC000573562563 341731938 /nfs/dbraw/zinc/73/19/38/341731938.db2.gz PDEWZZIDLJYNTJ-HTQZYQBOSA-N -1 0 314.367 -0.619 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)CCOCC1CCCC1 ZINC000573903120 341742871 /nfs/dbraw/zinc/74/28/71/341742871.db2.gz HEFKSOHIAPJDHG-UHFFFAOYSA-N -1 0 309.384 -0.098 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)[C@H]1CO ZINC000574400117 341757471 /nfs/dbraw/zinc/75/74/71/341757471.db2.gz MZEHDJILCKPBHL-RHYQMDGZSA-N -1 0 312.366 -0.215 20 0 DBADRM CN(C)S(=O)(=O)N1CCCN(c2nc(C(=O)[O-])co2)CC1 ZINC000574695029 341766143 /nfs/dbraw/zinc/76/61/43/341766143.db2.gz VTCINPUKUIEZFS-UHFFFAOYSA-N -1 0 318.355 -0.309 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)o1 ZINC000575063445 341774622 /nfs/dbraw/zinc/77/46/22/341774622.db2.gz VUIWFGMBWFDMBQ-BDAKNGLRSA-N -1 0 316.335 -0.073 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000576226627 341834743 /nfs/dbraw/zinc/83/47/43/341834743.db2.gz OCQUVSANGAFZEW-VHSXEESVSA-N -1 0 323.353 -0.451 20 0 DBADRM COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000576700862 341859233 /nfs/dbraw/zinc/85/92/33/341859233.db2.gz WWSXFULUZMSPLI-YUMQZZPRSA-N -1 0 319.339 -0.468 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N(C)C1(C(=O)[O-])CCOCC1 ZINC000576825578 341865030 /nfs/dbraw/zinc/86/50/30/341865030.db2.gz BWDFXSAZKQUBEA-SECBINFHSA-N -1 0 322.383 -0.642 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCCC2)C[C@]12CCOC2 ZINC000577045043 341880361 /nfs/dbraw/zinc/88/03/61/341880361.db2.gz BMCOFAQOGWHMDD-JQWIXIFHSA-N -1 0 304.368 -0.250 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCOC(F)(F)F ZINC000577113695 341886989 /nfs/dbraw/zinc/88/69/89/341886989.db2.gz YYPMNTFPLARJGV-LURJTMIESA-N -1 0 309.262 -0.116 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000577220290 341898271 /nfs/dbraw/zinc/89/82/71/341898271.db2.gz LNNOYALGDYBDQA-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000577286262 341902595 /nfs/dbraw/zinc/90/25/95/341902595.db2.gz RSMOJKWTRBXEOL-NSHDSACASA-N -1 0 315.347 -0.471 20 0 DBADRM CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC000577638379 341926372 /nfs/dbraw/zinc/92/63/72/341926372.db2.gz UMTHTZFKGKNFHC-SECBINFHSA-N -1 0 304.368 -0.220 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)NC(C)(C)C(=O)[O-] ZINC000577645753 341926999 /nfs/dbraw/zinc/92/69/99/341926999.db2.gz YSLAJLLIGPGHNZ-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM CCC[C@H](O)[C@@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000577697729 341929872 /nfs/dbraw/zinc/92/98/72/341929872.db2.gz GTFHLUUJODMGNS-DTWKUNHWSA-N -1 0 308.356 -0.959 20 0 DBADRM NC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)O1 ZINC000577850051 341943050 /nfs/dbraw/zinc/94/30/50/341943050.db2.gz UWOFODZGGWQQDA-WCTZXXKLSA-N -1 0 324.255 -0.259 20 0 DBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)NCCC(=O)[O-] ZINC000037433838 521683791 /nfs/dbraw/zinc/68/37/91/521683791.db2.gz KEDVXERTAZOEMK-MRVPVSSYSA-N -1 0 312.413 -0.362 20 0 DBADRM COc1cc(CC(=O)NCCc2nc(=O)o[n-]2)cc(OC)c1O ZINC000447636581 533736640 /nfs/dbraw/zinc/73/66/40/533736640.db2.gz KMDFDAZEENVLLD-UHFFFAOYSA-N -1 0 323.305 -0.013 20 0 DBADRM COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)C[C@H](C)OC ZINC000497294557 533882678 /nfs/dbraw/zinc/88/26/78/533882678.db2.gz CWEXKPPIJJANNH-VIFPVBQESA-N -1 0 310.372 -0.054 20 0 DBADRM COC(=O)N1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC1 ZINC000497263776 533983441 /nfs/dbraw/zinc/98/34/41/533983441.db2.gz KZSRARWEOLBHAB-VIFPVBQESA-N -1 0 315.326 -0.924 20 0 DBADRM CCN(CC)S(=O)(=O)CCNC(=O)[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000357418781 535618652 /nfs/dbraw/zinc/61/86/52/535618652.db2.gz JTIWAHDVMJJZSE-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000491272137 534071618 /nfs/dbraw/zinc/07/16/18/534071618.db2.gz BFUGKLTZJVTNMQ-UHFFFAOYSA-N -1 0 324.746 -0.376 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)NCCc1nc(=O)o[n-]1)c2=O ZINC000447633934 534351073 /nfs/dbraw/zinc/35/10/73/534351073.db2.gz IQYXCSMPPNGNHX-UHFFFAOYSA-N -1 0 315.289 -0.348 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000262758252 518931575 /nfs/dbraw/zinc/93/15/75/518931575.db2.gz KETNACLOFWRYBR-UFBFGSQYSA-N -1 0 324.374 -0.025 20 0 DBADRM CC(C)C[C@@H](CNS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000094702928 519212698 /nfs/dbraw/zinc/21/26/98/519212698.db2.gz AJKYZSNKQBWGHB-VIFPVBQESA-N -1 0 315.413 -0.303 20 0 DBADRM CC(C)(CCNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC000263047570 519216574 /nfs/dbraw/zinc/21/65/74/519216574.db2.gz KEVPCMQHOBBMIO-BDAKNGLRSA-N -1 0 301.343 -0.181 20 0 DBADRM CC(C)C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000360834624 519241246 /nfs/dbraw/zinc/24/12/46/519241246.db2.gz RGFQKZMPOQJBCM-SNVBAGLBSA-N -1 0 321.337 -0.255 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1cnsn1)C(=O)[O-] ZINC000263283597 519384464 /nfs/dbraw/zinc/38/44/64/519384464.db2.gz PBNAYEMYECCRFH-ZETCQYMHSA-N -1 0 300.340 -0.117 20 0 DBADRM CC(=O)N1CC(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)C1 ZINC000346523290 519497575 /nfs/dbraw/zinc/49/75/75/519497575.db2.gz ZNGKNHOPWUYOGO-UHFFFAOYSA-N -1 0 317.305 -0.295 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000267472361 519528909 /nfs/dbraw/zinc/52/89/09/519528909.db2.gz QYFRMNMIDFEJKE-UHFFFAOYSA-N -1 0 318.355 -0.982 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000262165988 519650989 /nfs/dbraw/zinc/65/09/89/519650989.db2.gz OOADNGPIXCBJOG-UHFFFAOYSA-N -1 0 321.333 -0.648 20 0 DBADRM CC(=O)NCCN(C(=O)COc1cccnc1)[C@@H](C)C(=O)[O-] ZINC000262238296 519661620 /nfs/dbraw/zinc/66/16/20/519661620.db2.gz OMAGCWRODTZWQJ-JTQLQIEISA-N -1 0 309.322 -0.102 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000262898643 519663555 /nfs/dbraw/zinc/66/35/55/519663555.db2.gz BBMWYCBQBZSDSC-SECBINFHSA-N -1 0 301.343 -0.802 20 0 DBADRM CC(=O)N[C@H](C)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000261790778 519694187 /nfs/dbraw/zinc/69/41/87/519694187.db2.gz XUZGAXIKCQEKCQ-MRVPVSSYSA-N -1 0 307.306 -0.036 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000346317773 519705153 /nfs/dbraw/zinc/70/51/53/519705153.db2.gz COWRJMBTOANAPT-UHFFFAOYSA-N -1 0 323.401 -0.458 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cn(C)cn2)C1=O ZINC000343989794 519789626 /nfs/dbraw/zinc/78/96/26/519789626.db2.gz PHKAFOCLQZWXFQ-ONGXEEELSA-N -1 0 308.338 -0.140 20 0 DBADRM CCCNC(=O)[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000267558702 519895809 /nfs/dbraw/zinc/89/58/09/519895809.db2.gz GQSOJJZWFVDABE-JTQLQIEISA-N -1 0 322.365 -0.136 20 0 DBADRM CCOCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccn(C)n1 ZINC000345634850 520056741 /nfs/dbraw/zinc/05/67/41/520056741.db2.gz TYRDEIRKDBOZNU-SNVBAGLBSA-N -1 0 305.356 -0.410 20 0 DBADRM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000331231038 520530507 /nfs/dbraw/zinc/53/05/07/520530507.db2.gz HVRSCIWHLAKOQE-NSHDSACASA-N -1 0 322.365 -0.041 20 0 DBADRM CC1(C)C[C@@H]1CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000332120864 520535889 /nfs/dbraw/zinc/53/58/89/520535889.db2.gz HMRIDYIEQRASIS-BDAKNGLRSA-N -1 0 304.368 -0.074 20 0 DBADRM NC(=O)c1cccc(OCCC(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000447631022 534499630 /nfs/dbraw/zinc/49/96/30/534499630.db2.gz UDDBCFIDIJDIRN-UHFFFAOYSA-N -1 0 320.305 -0.410 20 0 DBADRM CCOC(=O)C1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000331252035 520570768 /nfs/dbraw/zinc/57/07/68/520570768.db2.gz UCRWWCJOQLIXKB-UHFFFAOYSA-N -1 0 309.322 -0.099 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000345923214 520764838 /nfs/dbraw/zinc/76/48/38/520764838.db2.gz YZLHSGQENDAJPI-UHFFFAOYSA-N -1 0 319.387 -0.769 20 0 DBADRM CC1(O)CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000338427371 520775701 /nfs/dbraw/zinc/77/57/01/520775701.db2.gz UOXQYGQGFNWVKP-UHFFFAOYSA-N -1 0 312.307 -0.809 20 0 DBADRM CCC[C@@](C)(NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-] ZINC000262423859 520921686 /nfs/dbraw/zinc/92/16/86/520921686.db2.gz QQPYHVXXHAEFSM-CQSZACIVSA-N -1 0 315.370 -0.222 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)CNS(=O)(=O)CCOC(C)C ZINC000262460449 520984644 /nfs/dbraw/zinc/98/46/44/520984644.db2.gz XYEDXTXVCKURRU-UHFFFAOYSA-N -1 0 324.399 -0.346 20 0 DBADRM CCOC(=O)[C@@H](CCOC)NC(=O)c1cnc([O-])n(C)c1=O ZINC000343921757 521059650 /nfs/dbraw/zinc/05/96/50/521059650.db2.gz HMGUPGBWXQODKV-SECBINFHSA-N -1 0 313.310 -0.816 20 0 DBADRM CCC(=O)N1CCCC[C@@H]1C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262836733 521096355 /nfs/dbraw/zinc/09/63/55/521096355.db2.gz SOXKYXQYLHUZEM-LLVKDONJSA-N -1 0 323.353 -0.230 20 0 DBADRM CCC[C@H](NC(=O)CCSc1nnnn1C)c1nnn[n-]1 ZINC000343772409 521123905 /nfs/dbraw/zinc/12/39/05/521123905.db2.gz ZORWDWZQILUXKH-ZETCQYMHSA-N -1 0 311.375 -0.137 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000262190217 521164920 /nfs/dbraw/zinc/16/49/20/521164920.db2.gz SKBSZOQERAUSIJ-UTLUCORTSA-N -1 0 316.379 -0.002 20 0 DBADRM CCC(=O)N[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000331242234 521192065 /nfs/dbraw/zinc/19/20/65/521192065.db2.gz NIWURLPEVUQUNL-VIFPVBQESA-N -1 0 308.338 -0.383 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H](OC)C(=O)[O-])C1 ZINC000263100900 521663186 /nfs/dbraw/zinc/66/31/86/521663186.db2.gz OFXOADZYTIBRCX-ZJUUUORDSA-N -1 0 322.383 -0.736 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2n[nH]c(=O)[n-]2)C1 ZINC000331091853 521663902 /nfs/dbraw/zinc/66/39/02/521663902.db2.gz IQDRPDWBROBQGZ-QMMMGPOBSA-N -1 0 317.371 -0.812 20 0 DBADRM CCN1C[C@@H](C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CC1=O ZINC000194305806 521726718 /nfs/dbraw/zinc/72/67/18/521726718.db2.gz DAZKRMFNDKCKTI-VIFPVBQESA-N -1 0 316.321 -0.238 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000334060123 521740255 /nfs/dbraw/zinc/74/02/55/521740255.db2.gz FZHFQDHRMMZGAJ-MRVPVSSYSA-N -1 0 309.326 -0.981 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344091728 521741977 /nfs/dbraw/zinc/74/19/77/521741977.db2.gz DTPLCSRPOJOCDO-DTWKUNHWSA-N -1 0 310.358 -0.076 20 0 DBADRM COCC[C@@H](NC(=O)Cn1nc2ccccn2c1=O)C(=O)[O-] ZINC000261856487 521838082 /nfs/dbraw/zinc/83/80/82/521838082.db2.gz FHZRDKRHNOCVLV-SECBINFHSA-N -1 0 308.294 -0.898 20 0 DBADRM COCC[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)[O-] ZINC000262274261 521957500 /nfs/dbraw/zinc/95/75/00/521957500.db2.gz HMYLKQRZTCUDTD-JTQLQIEISA-N -1 0 307.306 -0.065 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cn1 ZINC000261692852 522115667 /nfs/dbraw/zinc/11/56/67/522115667.db2.gz NGKFQZVWPVHDHF-SNVBAGLBSA-N -1 0 305.356 -0.083 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NCCC(=O)[O-])ccc1OC ZINC000262232363 522259827 /nfs/dbraw/zinc/25/98/27/522259827.db2.gz NINILQIJDOEVFF-UHFFFAOYSA-N -1 0 316.335 -0.192 20 0 DBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1C ZINC000262466943 522293475 /nfs/dbraw/zinc/29/34/75/522293475.db2.gz NUWBSJPMEDAAMV-UHFFFAOYSA-N -1 0 322.364 -0.734 20 0 DBADRM COC[C@@H](CCO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000339512019 522293664 /nfs/dbraw/zinc/29/36/64/522293664.db2.gz HHSJABWMFWZKLY-MRVPVSSYSA-N -1 0 322.321 -0.128 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000339352166 522308210 /nfs/dbraw/zinc/30/82/10/522308210.db2.gz KPCXQZPDFIHKNJ-LDYMZIIASA-N -1 0 321.337 -0.255 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000158449279 522338590 /nfs/dbraw/zinc/33/85/90/522338590.db2.gz GFARQASHCWZYND-NKWVEPMBSA-N -1 0 312.244 -0.387 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])Cc1cnn(-c2ccccc2)n1 ZINC000262277271 522471353 /nfs/dbraw/zinc/47/13/53/522471353.db2.gz VYCWBYYHUGDSBZ-UHFFFAOYSA-N -1 0 303.322 -0.100 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000262368409 522522747 /nfs/dbraw/zinc/52/27/47/522522747.db2.gz AJHSMILNQDJAMB-UHFFFAOYSA-N -1 0 305.290 -0.377 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-][C@@H](C(=O)OC)c1ccn(C)n1 ZINC000345648628 522644667 /nfs/dbraw/zinc/64/46/67/522644667.db2.gz XVRWKBRZGFOXQJ-WCBMZHEXSA-N -1 0 305.356 -0.412 20 0 DBADRM COC[C@H](CCO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000339515447 522674594 /nfs/dbraw/zinc/67/45/94/522674594.db2.gz QQMVWCZBNYLQEN-QMMMGPOBSA-N -1 0 308.294 -0.437 20 0 DBADRM COC[C@H](CCO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000339512023 522674834 /nfs/dbraw/zinc/67/48/34/522674834.db2.gz HHSJABWMFWZKLY-QMMMGPOBSA-N -1 0 322.321 -0.128 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000158448854 522722208 /nfs/dbraw/zinc/72/22/08/522722208.db2.gz GFARQASHCWZYND-RQJHMYQMSA-N -1 0 312.244 -0.387 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)[N-][C@H](CF)C(=O)OC)CC1 ZINC000344978652 522926090 /nfs/dbraw/zinc/92/60/90/522926090.db2.gz DGUQOAYMWDFGSX-MRVPVSSYSA-N -1 0 311.331 -0.240 20 0 DBADRM COC(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000131793951 523035836 /nfs/dbraw/zinc/03/58/36/523035836.db2.gz YLNRUNMWZFIGDD-UHFFFAOYSA-N -1 0 309.340 -0.507 20 0 DBADRM COC(=O)CCN1CC[C@@H](NC(=O)CC(C)(C)C(=O)[O-])C1=O ZINC000346327761 523080012 /nfs/dbraw/zinc/08/00/12/523080012.db2.gz WAOJDCNCBKGZHV-SECBINFHSA-N -1 0 314.338 -0.233 20 0 DBADRM COCc1nc(=NC(=O)CCC(=O)N2CCOCC2)s[n-]1 ZINC000345738789 523165467 /nfs/dbraw/zinc/16/54/67/523165467.db2.gz PGCRORCGCZSVFY-UHFFFAOYSA-N -1 0 314.367 -0.316 20 0 DBADRM COC(=O)CSCCNC(=O)c1cnc([O-])n(C)c1=O ZINC000267543340 523246274 /nfs/dbraw/zinc/24/62/74/523246274.db2.gz AQUMBQOGSWULHQ-UHFFFAOYSA-N -1 0 301.324 -0.878 20 0 DBADRM CC[C@@H]1CC[C@H](C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])O1 ZINC000333580838 523358431 /nfs/dbraw/zinc/35/84/31/523358431.db2.gz NXEWUOVXIKXPGD-HRDYMLBCSA-N -1 0 310.310 -0.263 20 0 DBADRM CO[C@@H](CNC(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000262854768 523533684 /nfs/dbraw/zinc/53/36/84/523533684.db2.gz HHWQDLKNHLXKIX-VIFPVBQESA-N -1 0 301.320 -0.081 20 0 DBADRM COCCN(C(=O)c1cnc([O-])n(C)c1=O)[C@@H]1CCO[C@H]1C ZINC000331219959 523557976 /nfs/dbraw/zinc/55/79/76/523557976.db2.gz XZPPYKIEWQJBQA-GXSJLCMTSA-N -1 0 311.338 -0.248 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000227866409 523747732 /nfs/dbraw/zinc/74/77/32/523747732.db2.gz PAHCOONVQCZMNH-SVRRBLITSA-N -1 0 323.758 -0.064 20 0 DBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)CCCN1CCOCC1 ZINC000345041547 523901285 /nfs/dbraw/zinc/90/12/85/523901285.db2.gz MTCSKGFJQKEFFS-JTQLQIEISA-N -1 0 312.363 -0.861 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)[C@@H](C)NS(C)(=O)=O)s[n-]1 ZINC000338927034 523904980 /nfs/dbraw/zinc/90/49/80/523904980.db2.gz VMRXNMLPVBIKQS-PHDIDXHHSA-N -1 0 308.385 -0.456 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)CCOC(C)C)c1ccn(C)n1 ZINC000345650562 523929155 /nfs/dbraw/zinc/92/91/55/523929155.db2.gz ZRCKVQORWXBPPP-LLVKDONJSA-N -1 0 319.383 -0.021 20 0 DBADRM COC(=O)[C@H](O)CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000345304265 523935654 /nfs/dbraw/zinc/93/56/54/523935654.db2.gz QYFFVHNOCTWQNX-SNVBAGLBSA-N -1 0 323.280 -0.019 20 0 DBADRM CN(C)C(=O)NCCNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000160775962 524006069 /nfs/dbraw/zinc/00/60/69/524006069.db2.gz JXZDXVUEDDNBTM-UHFFFAOYSA-N -1 0 315.351 -0.066 20 0 DBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)C(=O)c2c(C)nn(C)c2C)C1 ZINC000347437036 524011351 /nfs/dbraw/zinc/01/13/51/524011351.db2.gz XOPSMCLDKOFPBL-UWVGGRQHSA-N -1 0 309.322 -0.080 20 0 DBADRM CN1C[C@@H](NC(=O)c2ccccc2[N-]S(C)(=O)=O)C(=O)N1 ZINC000349700328 524012350 /nfs/dbraw/zinc/01/23/50/524012350.db2.gz CWBBKXTUXFGHLC-SNVBAGLBSA-N -1 0 312.351 -0.867 20 0 DBADRM Cc1cc(C(=O)NC[C@](C)(O)C(=O)[O-])c2c(=O)[nH]n(C)c2n1 ZINC000349052625 524101035 /nfs/dbraw/zinc/10/10/35/524101035.db2.gz MWGZQHZHTYHFLB-ZDUSSCGKSA-N -1 0 308.294 -0.452 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000054053793 524295446 /nfs/dbraw/zinc/29/54/46/524295446.db2.gz JUDYFAYAIQUOQK-ZETCQYMHSA-N -1 0 322.364 -0.572 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C(=O)[O-] ZINC000235637677 525043651 /nfs/dbraw/zinc/04/36/51/525043651.db2.gz HCPCPZSHGJZRIC-CHWFTXMASA-N -1 0 306.384 -0.007 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000339151197 525052854 /nfs/dbraw/zinc/05/28/54/525052854.db2.gz ATXWCCWGPVABQA-ZCFIWIBFSA-N -1 0 317.371 -0.303 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc1OC ZINC000040699295 525070007 /nfs/dbraw/zinc/07/00/07/525070007.db2.gz KKSDGFCFSNXNRA-VIFPVBQESA-N -1 0 319.335 -0.182 20 0 DBADRM COc1ncnc(N(C)C)c1NC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000263020911 525078545 /nfs/dbraw/zinc/07/85/45/525078545.db2.gz JDNVZMDWOXQDIK-GFCCVEGCSA-N -1 0 313.314 -0.492 20 0 DBADRM C[C@@H](NC(=O)COc1ccccc1)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000349046799 525121038 /nfs/dbraw/zinc/12/10/38/525121038.db2.gz LEBHONHXPLVIJE-BMIGLBTASA-N -1 0 324.333 -0.478 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000228146173 525175434 /nfs/dbraw/zinc/17/54/34/525175434.db2.gz WGVDOJXXVINFRD-UHFFFAOYSA-N -1 0 302.308 -0.305 20 0 DBADRM C[C@](O)(CNC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)[O-] ZINC000090274738 525176196 /nfs/dbraw/zinc/17/61/96/525176196.db2.gz WBRAPGZXFHEPOO-LBPRGKRZSA-N -1 0 316.335 -0.377 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000343573726 525253366 /nfs/dbraw/zinc/25/33/66/525253366.db2.gz PAMMGMWXYCCGCI-QMMMGPOBSA-N -1 0 307.310 -0.029 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)CCOC[C@@H]2CCCO2)n[n-]1 ZINC000338118581 525281430 /nfs/dbraw/zinc/28/14/30/525281430.db2.gz VYLUILNUIJMDPN-QMMMGPOBSA-N -1 0 318.355 -0.268 20 0 DBADRM CSC1(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000332126695 525319623 /nfs/dbraw/zinc/31/96/23/525319623.db2.gz IUEJAFYZQLSPAA-MRVPVSSYSA-N -1 0 322.408 -0.225 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000347644572 525327774 /nfs/dbraw/zinc/32/77/74/525327774.db2.gz DIWRYGDPXBNZPK-UHFFFAOYSA-N -1 0 318.337 -0.039 20 0 DBADRM C[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-] ZINC000262415281 525568661 /nfs/dbraw/zinc/56/86/61/525568661.db2.gz MDPJTABVVIKVQG-MRVPVSSYSA-N -1 0 304.368 -0.220 20 0 DBADRM Cc1cc2c(cc1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])OCO2 ZINC000263449663 525615523 /nfs/dbraw/zinc/61/55/23/525615523.db2.gz ACWMBTWYRNNLFR-GFCCVEGCSA-N -1 0 317.319 -0.162 20 0 DBADRM C[C@@](O)(CNC(=O)CCn1ncc(=O)c2ccccc21)C(=O)[O-] ZINC000349059572 525767021 /nfs/dbraw/zinc/76/70/21/525767021.db2.gz XWADZOLIIHXIFA-OAHLLOKOSA-N -1 0 319.317 -0.262 20 0 DBADRM COc1cccc(C(=O)NCC(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000263003233 525814480 /nfs/dbraw/zinc/81/44/80/525814480.db2.gz VKFHHBGHITWROB-HNNXBMFYSA-N -1 0 322.317 -0.215 20 0 DBADRM C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000338111670 525911498 /nfs/dbraw/zinc/91/14/98/525911498.db2.gz IWQWZBUGLCHBSZ-HTQZYQBOSA-N -1 0 318.355 -0.269 20 0 DBADRM Cc1ccc(C(=O)NCCC(=O)NC[C@](C)(O)C(=O)[O-])c(O)c1 ZINC000263439463 526159345 /nfs/dbraw/zinc/15/93/45/526159345.db2.gz PISDHROZFYPOMU-HNNXBMFYSA-N -1 0 324.333 -0.228 20 0 DBADRM Cc1cnn(CC(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000347377758 526256794 /nfs/dbraw/zinc/25/67/94/526256794.db2.gz SZQBBNFBLYHVBE-LBPRGKRZSA-N -1 0 322.365 -0.027 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)CCO1 ZINC000261837325 526286347 /nfs/dbraw/zinc/28/63/47/526286347.db2.gz CDNIBCYRPRDCTJ-NSHDSACASA-N -1 0 306.274 -0.057 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)COC1CCCC1 ZINC000333635905 526292556 /nfs/dbraw/zinc/29/25/56/526292556.db2.gz WNCZGYBWZQBVJF-VIFPVBQESA-N -1 0 310.310 -0.262 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CCn2nc3ccccn3c2=O)C1 ZINC000238085873 526325720 /nfs/dbraw/zinc/32/57/20/526325720.db2.gz AEGGENGVQFXIHP-JTQLQIEISA-N -1 0 304.306 -0.181 20 0 DBADRM O=C([O-])[C@]1(NC(=O)Cn2cnc3sccc3c2=O)CCOC1 ZINC000262319781 526339006 /nfs/dbraw/zinc/33/90/06/526339006.db2.gz QWSWHCOJNYCNSX-ZDUSSCGKSA-N -1 0 323.330 -0.182 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[N-]OCCCO ZINC000496474331 526426115 /nfs/dbraw/zinc/42/61/15/526426115.db2.gz MEUWTFCFCKKIMW-VHSXEESVSA-N -1 0 304.343 -0.213 20 0 DBADRM Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)[N-]OCC(N)=O ZINC000272195277 526437355 /nfs/dbraw/zinc/43/73/55/526437355.db2.gz GLDLCVNVLNRPRA-NSHDSACASA-N -1 0 322.300 -0.562 20 0 DBADRM Cc1noc(COCC(=O)NC2(c3nnn[n-]3)CCCC2)n1 ZINC000346330670 526624715 /nfs/dbraw/zinc/62/47/15/526624715.db2.gz NYKCNBGMCSCVCG-UHFFFAOYSA-N -1 0 307.314 -0.007 20 0 DBADRM O=C(CN1CSCC1=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000262725058 526816167 /nfs/dbraw/zinc/81/61/67/526816167.db2.gz GHPUKBPNDIGAAQ-GZMMTYOYSA-N -1 0 302.352 -0.485 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000331091449 526822239 /nfs/dbraw/zinc/82/22/39/526822239.db2.gz WPLIFQXGUPVWQB-RXMQYKEDSA-N -1 0 307.232 -0.463 20 0 DBADRM NC(=O)COc1cccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000345901428 526895244 /nfs/dbraw/zinc/89/52/44/526895244.db2.gz HWCPEDLKPVJHMN-AWEZNQCLSA-N -1 0 308.290 -0.476 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)CCCC(F)(F)F)C(=O)[O-] ZINC000214916679 526908429 /nfs/dbraw/zinc/90/84/29/526908429.db2.gz NSYZNZRQLYTSLX-YFKPBYRVSA-N -1 0 306.262 -0.423 20 0 DBADRM CC(C)(C)n1cnc(=NC(=O)N=c2ccn(CC(N)=O)[nH]2)[n-]1 ZINC000446272954 526931747 /nfs/dbraw/zinc/93/17/47/526931747.db2.gz WAAPNAMVPLAHAS-UHFFFAOYSA-N -1 0 306.330 -0.797 20 0 DBADRM NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000262315124 526953064 /nfs/dbraw/zinc/95/30/64/526953064.db2.gz QNSCACUPIRWWQM-GRYCIOLGSA-N -1 0 306.318 -0.169 20 0 DBADRM NC(=O)[C@H](CO)[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000352619437 526992975 /nfs/dbraw/zinc/99/29/75/526992975.db2.gz SRXGLFIHHGBJKF-YFKPBYRVSA-N -1 0 316.232 -0.633 20 0 DBADRM O=C(N[C@H](CO)[C@@H]1CCCO1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000344917498 526997947 /nfs/dbraw/zinc/99/79/47/526997947.db2.gz WXUIWSOAAFADDK-ZJUUUORDSA-N -1 0 320.305 -0.294 20 0 DBADRM Cc1ncc(C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])s1 ZINC000333591716 527231740 /nfs/dbraw/zinc/23/17/40/527231740.db2.gz PFFUIAWCOCFFBN-LURJTMIESA-N -1 0 309.307 -0.142 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)NC2(c3nnn[n-]3)CCCC2)cn1 ZINC000345973181 527234033 /nfs/dbraw/zinc/23/40/33/527234033.db2.gz NWJYVUUHPRQFTA-JTQLQIEISA-N -1 0 305.342 -0.578 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1C(N)=O ZINC000037418365 527283941 /nfs/dbraw/zinc/28/39/41/527283941.db2.gz RCBPROSJSPYGCU-MRVPVSSYSA-N -1 0 301.324 -0.638 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1C(N)=O ZINC000035390795 527290507 /nfs/dbraw/zinc/29/05/07/527290507.db2.gz HDHZOZZFAKQWIG-SECBINFHSA-N -1 0 317.367 -0.098 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cs1 ZINC000261909459 527303151 /nfs/dbraw/zinc/30/31/51/527303151.db2.gz WFHOQBCWIOINJV-ZCFIWIBFSA-N -1 0 304.349 -0.058 20 0 DBADRM Cn1cnn(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1=O ZINC000263565839 527516109 /nfs/dbraw/zinc/51/61/09/527516109.db2.gz FTIZXGIOLDQJOD-NSHDSACASA-N -1 0 304.306 -0.606 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)CC1 ZINC000262499032 527559023 /nfs/dbraw/zinc/55/90/23/527559023.db2.gz NEJHYJMYSAMPBT-UHFFFAOYSA-N -1 0 319.317 -0.232 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CC[C@](C)(C(=O)[O-])C1)c2=O ZINC000347502524 527585161 /nfs/dbraw/zinc/58/51/61/527585161.db2.gz RUZRZKCEBNJMQD-AWEZNQCLSA-N -1 0 319.321 -0.547 20 0 DBADRM O=C([O-])CCNC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000263144036 527591017 /nfs/dbraw/zinc/59/10/17/527591017.db2.gz ANXWHFYVAZBAJM-UHFFFAOYSA-N -1 0 321.380 -0.200 20 0 DBADRM O=C([O-])CN(C(=O)Cn1nnc2ccccc2c1=O)C1CC1 ZINC000347526898 527603740 /nfs/dbraw/zinc/60/37/40/527603740.db2.gz UEPNSABZMHWRLW-UHFFFAOYSA-N -1 0 302.290 -0.133 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)[C@@H]2COCCO2)cc1 ZINC000261728063 527612339 /nfs/dbraw/zinc/61/23/39/527612339.db2.gz QWLKIDSPYQEXEP-NSHDSACASA-N -1 0 308.290 -0.145 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)[C@@H]1CCCCS1(=O)=O ZINC000167971356 527631347 /nfs/dbraw/zinc/63/13/47/527631347.db2.gz MRUQRQZCGSPNNV-ZJUUUORDSA-N -1 0 305.352 -0.344 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000420558248 527847857 /nfs/dbraw/zinc/84/78/57/527847857.db2.gz DCERVKSKDPLIBR-NXEZZACHSA-N -1 0 314.338 -0.377 20 0 DBADRM CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262472726 527913801 /nfs/dbraw/zinc/91/38/01/527913801.db2.gz ZHIKZSJESZXYFS-PRHODGIISA-N -1 0 304.368 -0.360 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCCn1cccn1)C(=O)[O-] ZINC000424514226 528317561 /nfs/dbraw/zinc/31/75/61/528317561.db2.gz GHIRYEUMFXQSDT-NSHDSACASA-N -1 0 310.354 -0.138 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1CC[C@@H](CO)C1)C(=O)[O-] ZINC000424494073 528658294 /nfs/dbraw/zinc/65/82/94/528658294.db2.gz PDNWWTJODIARLD-SNVBAGLBSA-N -1 0 300.355 -0.166 20 0 DBADRM CCOC(=O)CCS(=O)(=O)[N-][C@@]1(C(=O)OC)CCOC1 ZINC000447172473 528743709 /nfs/dbraw/zinc/74/37/09/528743709.db2.gz RSBPUZUOHLOHLK-NSHDSACASA-N -1 0 309.340 -0.809 20 0 DBADRM CC(C)[C@@](C)(O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000174441140 528877931 /nfs/dbraw/zinc/87/79/31/528877931.db2.gz AQNANEQDWWLLBT-AWEZNQCLSA-N -1 0 306.322 -0.252 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000408302059 535100618 /nfs/dbraw/zinc/10/06/18/535100618.db2.gz WZJRTZGVXGHDRT-LBPRGKRZSA-N -1 0 317.367 -0.439 20 0 DBADRM Cc1[n-]n(C)c(=O)c1C(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000340579196 535254051 /nfs/dbraw/zinc/25/40/51/535254051.db2.gz DHLDTTHAKNBIDX-SNVBAGLBSA-N -1 0 300.274 -0.027 20 0 DBADRM CCOc1cccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000282868721 535470416 /nfs/dbraw/zinc/47/04/16/535470416.db2.gz OXNXPKXEQUBUBL-JTQLQIEISA-N -1 0 316.335 -0.308 20 0 DBADRM CCN(CC)S(=O)(=O)c1ccc(S([O-])=CC(N)=O)nc1 ZINC000341756210 535636174 /nfs/dbraw/zinc/63/61/74/535636174.db2.gz DIAWJQIUXMMCMF-IBGZPJMESA-N -1 0 319.408 -0.295 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)Cn1[n-]c(SC)nc1=O)C(=O)OC ZINC000355934018 535854043 /nfs/dbraw/zinc/85/40/43/535854043.db2.gz FWLGOMNIZYLQRV-IONNQARKSA-N -1 0 316.383 -0.003 20 0 DBADRM CCn1nccc1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000277455979 535891087 /nfs/dbraw/zinc/89/10/87/535891087.db2.gz ROYPOPXPYWXGJQ-UHFFFAOYSA-N -1 0 314.327 -0.829 20 0 DBADRM CCn1nccc1S(=O)(=O)[N-]N1C(=O)N[C@@](C)(CC)C1=O ZINC000289198079 535892219 /nfs/dbraw/zinc/89/22/19/535892219.db2.gz OQYPNQSBGWSUNC-NSHDSACASA-N -1 0 315.355 -0.183 20 0 DBADRM CNC(=O)[C@@H](CCSC)NS(=O)(=O)[N-]CC(F)(F)F ZINC000341633782 536348745 /nfs/dbraw/zinc/34/87/45/536348745.db2.gz AAXSSICRWNMKJF-ZCFIWIBFSA-N -1 0 323.362 -0.160 20 0 DBADRM CNC(=O)c1ccc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)nc1 ZINC000340634701 536434762 /nfs/dbraw/zinc/43/47/62/536434762.db2.gz RGXKZMWGSIGGNN-MRVPVSSYSA-N -1 0 314.367 -0.340 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275264882 536565125 /nfs/dbraw/zinc/56/51/25/536565125.db2.gz MPZBONPBAFZNTM-SCZZXKLOSA-N -1 0 305.356 -0.630 20 0 DBADRM COc1cc(OC)cc(S(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000275230153 536871338 /nfs/dbraw/zinc/87/13/38/536871338.db2.gz FJPNWFFPLRKGLI-UHFFFAOYSA-N -1 0 319.335 -0.229 20 0 DBADRM CSCCCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000737181964 599441333 /nfs/dbraw/zinc/44/13/33/599441333.db2.gz PEFIXAAQDNKHLE-UHFFFAOYSA-N -1 0 311.371 -0.571 20 0 DBADRM CN(C)c1nc(CNS(=O)(=O)N(C)CCC(=O)[O-])cs1 ZINC000830647802 601264540 /nfs/dbraw/zinc/26/45/40/601264540.db2.gz WMSIWXJHPQTHTL-UHFFFAOYSA-N -1 0 322.412 -0.050 20 0 DBADRM COCCCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737759803 599740257 /nfs/dbraw/zinc/74/02/57/599740257.db2.gz NWXWQZWACBHEEB-AXFHLTTASA-N -1 0 319.379 -0.241 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)CCSCC(=O)[O-] ZINC000736477370 599752301 /nfs/dbraw/zinc/75/23/01/599752301.db2.gz HFUNWRUHSBGIQU-UHFFFAOYSA-N -1 0 312.413 -0.362 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2CCSC2)n(C)c1=O ZINC000822600110 599078104 /nfs/dbraw/zinc/07/81/04/599078104.db2.gz KGCCTPFYJUQHSZ-LURJTMIESA-N -1 0 309.355 -0.819 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CN(C)CCO1 ZINC000740010636 602029545 /nfs/dbraw/zinc/02/95/45/602029545.db2.gz LKTLHNSDWIEYCR-ZJUUUORDSA-N -1 0 305.400 -0.178 20 0 DBADRM CNC(=O)CN(C)C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC000737537069 599789155 /nfs/dbraw/zinc/78/91/55/599789155.db2.gz SKPDUDCIDNXYSU-UHFFFAOYSA-N -1 0 309.322 -0.029 20 0 DBADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000733712529 678255525 /nfs/dbraw/zinc/25/55/25/678255525.db2.gz FFQVHZRWJRKDIV-UHFFFAOYSA-N -1 0 303.340 -0.266 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738138074 599152319 /nfs/dbraw/zinc/15/23/19/599152319.db2.gz DBUOVQFKNLBQAM-UHFFFAOYSA-N -1 0 323.338 -0.668 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000737845679 603064316 /nfs/dbraw/zinc/06/43/16/603064316.db2.gz HURNIQGXTBLTHO-UHFFFAOYSA-N -1 0 307.372 -0.520 20 0 DBADRM CNC(=O)C1CCN(C(=O)CN(CCOC)C(=O)[O-])CC1 ZINC000739740251 603088016 /nfs/dbraw/zinc/08/80/16/603088016.db2.gz XATIRRJJGDLRJE-UHFFFAOYSA-N -1 0 301.343 -0.403 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739664985 603259522 /nfs/dbraw/zinc/25/95/22/603259522.db2.gz VMFKHANYARYZGD-NXEZZACHSA-N -1 0 304.368 -0.121 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826449735 607777330 /nfs/dbraw/zinc/77/73/30/607777330.db2.gz HUNAEHKDCFTZLA-UHFFFAOYSA-N -1 0 311.327 -0.735 20 0 DBADRM CNC(=O)CCOC1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000818486441 596931744 /nfs/dbraw/zinc/93/17/44/596931744.db2.gz YWCLMPOJMCUCHK-UHFFFAOYSA-N -1 0 318.395 -0.052 20 0 DBADRM COC(=O)CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000739759645 596959402 /nfs/dbraw/zinc/95/94/02/596959402.db2.gz BDLDPGAWCCIZSN-NSHDSACASA-N -1 0 305.290 -0.005 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000739824879 596973724 /nfs/dbraw/zinc/97/37/24/596973724.db2.gz ZHVBIXLAYIWQLY-UHFFFAOYSA-N -1 0 319.335 -0.003 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000315630961 596982926 /nfs/dbraw/zinc/98/29/26/596982926.db2.gz PXFIKBGQQGKUJK-UHFFFAOYSA-N -1 0 304.310 -0.268 20 0 DBADRM C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)CCC(=O)[O-] ZINC000817727806 596999613 /nfs/dbraw/zinc/99/96/13/596999613.db2.gz KGVQQMCKFRZXND-UWVGGRQHSA-N -1 0 306.384 -0.573 20 0 DBADRM CN(CCC(=O)[O-])CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000818462956 597000005 /nfs/dbraw/zinc/00/00/05/597000005.db2.gz DWLPLXRFMWLYNM-UHFFFAOYSA-N -1 0 310.310 -0.545 20 0 DBADRM CCN(C(=O)[C@H](C)N(C)CCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000818190198 597002582 /nfs/dbraw/zinc/00/25/82/597002582.db2.gz IPLLXLZFCKXAFJ-WDEREUQCSA-N -1 0 320.411 -0.183 20 0 DBADRM CN(CCC(=O)[O-])C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000818420473 597009385 /nfs/dbraw/zinc/00/93/85/597009385.db2.gz RXNZWFPHMAMVJR-NSHDSACASA-N -1 0 313.335 -0.350 20 0 DBADRM CC(C)[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000036972706 597024239 /nfs/dbraw/zinc/02/42/39/597024239.db2.gz LBDBREXUOBDLTO-JTQLQIEISA-N -1 0 306.384 -0.117 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(=O)[O-])cc1 ZINC000739933426 597026923 /nfs/dbraw/zinc/02/69/23/597026923.db2.gz RWLFHWYTJQVLBI-QMMMGPOBSA-N -1 0 316.335 -0.437 20 0 DBADRM Cc1ccc(S(=O)(=O)N(C)CC(=O)NCC(=O)[O-])cc1 ZINC000740144918 597027306 /nfs/dbraw/zinc/02/73/06/597027306.db2.gz QJHMMVWMKGYQHQ-UHFFFAOYSA-N -1 0 300.336 -0.184 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000818645800 597041363 /nfs/dbraw/zinc/04/13/63/597041363.db2.gz UVIIOQQSBSMQFR-VIFPVBQESA-N -1 0 323.440 -0.403 20 0 DBADRM COc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1NC(C)=O ZINC000739913782 597042391 /nfs/dbraw/zinc/04/23/91/597042391.db2.gz BVLFZDXFSHIXBP-UHFFFAOYSA-N -1 0 309.278 -0.207 20 0 DBADRM COC(=O)COc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000739764922 597043937 /nfs/dbraw/zinc/04/39/37/597043937.db2.gz NKVNRTGHIYKGQD-UHFFFAOYSA-N -1 0 310.262 -0.622 20 0 DBADRM CS(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000739999607 597045357 /nfs/dbraw/zinc/04/53/57/597045357.db2.gz VVYSTTLYRMOFLR-UHFFFAOYSA-N -1 0 300.292 -0.771 20 0 DBADRM COC(=O)NCc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000739773962 597045852 /nfs/dbraw/zinc/04/58/52/597045852.db2.gz ROAADUBWKQUTHZ-UHFFFAOYSA-N -1 0 309.278 -0.318 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000740482977 597046603 /nfs/dbraw/zinc/04/66/03/597046603.db2.gz JWROPLOJERFYHA-UHFFFAOYSA-N -1 0 307.306 -0.338 20 0 DBADRM COCCOc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1F ZINC000739839330 597047367 /nfs/dbraw/zinc/04/73/67/597047367.db2.gz QMDHVDHNGXNTGA-UHFFFAOYSA-N -1 0 314.269 -0.010 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000128177760 597097433 /nfs/dbraw/zinc/09/74/33/597097433.db2.gz HTWWUOQTWMEVIB-UHFFFAOYSA-N -1 0 324.424 -0.266 20 0 DBADRM O=C([O-])CCNC(=O)CSc1nnnn1CC(F)(F)F ZINC000738590796 597115576 /nfs/dbraw/zinc/11/55/76/597115576.db2.gz FXSKMRGDHPRDHY-UHFFFAOYSA-N -1 0 313.261 -0.082 20 0 DBADRM O=C([O-])CCNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000740480893 597116583 /nfs/dbraw/zinc/11/65/83/597116583.db2.gz PPGXLGZYSKILLP-UHFFFAOYSA-N -1 0 319.325 -0.673 20 0 DBADRM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000819236529 597166182 /nfs/dbraw/zinc/16/61/82/597166182.db2.gz CNSIQHNEDZIQPU-JTQLQIEISA-N -1 0 303.274 -0.094 20 0 DBADRM C[C@@H](NC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000818039728 597199432 /nfs/dbraw/zinc/19/94/32/597199432.db2.gz NNRSIBFKFHUSKI-ZCFIWIBFSA-N -1 0 321.293 -0.773 20 0 DBADRM C[C@@H](NC(=O)Nc1ccn(CCS(C)(=O)=O)n1)C(=O)[O-] ZINC000818039789 597208178 /nfs/dbraw/zinc/20/81/78/597208178.db2.gz PIYYAQJLRLYLMS-SSDOTTSWSA-N -1 0 304.328 -0.478 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)[O-] ZINC000818022491 597215400 /nfs/dbraw/zinc/21/54/00/597215400.db2.gz IGBFOUWYTVPTRO-SCZZXKLOSA-N -1 0 310.310 -0.410 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)NCCC(=O)[O-])C2=O)n(C)n1 ZINC000818829639 597225302 /nfs/dbraw/zinc/22/53/02/597225302.db2.gz GAPDTJSHVUIIOT-VIFPVBQESA-N -1 0 309.326 -0.392 20 0 DBADRM NC(=O)c1ccc(N2CCN(C(=O)NCCC(=O)[O-])CC2)nc1 ZINC000819120926 597226655 /nfs/dbraw/zinc/22/66/55/597226655.db2.gz OHPQLODNMFMLSB-UHFFFAOYSA-N -1 0 321.337 -0.513 20 0 DBADRM C[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C1)S(=O)(=O)C1CCOCC1 ZINC000817733578 597232664 /nfs/dbraw/zinc/23/26/64/597232664.db2.gz IXRMKYCRPYCEME-UWVGGRQHSA-N -1 0 319.379 -0.098 20 0 DBADRM O=C([O-])CSCC(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000819539622 597267011 /nfs/dbraw/zinc/26/70/11/597267011.db2.gz BYOWBITZKQCSDE-MADCSZMMSA-N -1 0 315.351 -0.701 20 0 DBADRM Cn1c2[nH]c(CCC(=O)NCCCC(=O)[O-])nc2c(=O)[nH]c1=O ZINC000819057888 597280681 /nfs/dbraw/zinc/28/06/81/597280681.db2.gz QNGBXCJDSKUYRN-UHFFFAOYSA-N -1 0 323.309 -0.724 20 0 DBADRM CS(=O)(=O)CC(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000738149051 599900153 /nfs/dbraw/zinc/90/01/53/599900153.db2.gz FEVWVXBHJJZXAU-UHFFFAOYSA-N -1 0 301.320 -0.076 20 0 DBADRM C[C@H](NC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1)C(=O)[O-] ZINC000738992294 597319407 /nfs/dbraw/zinc/31/94/07/597319407.db2.gz ZWGMJVWOKWHAQN-QMMMGPOBSA-N -1 0 322.321 -0.114 20 0 DBADRM C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)[O-] ZINC000033554671 597330010 /nfs/dbraw/zinc/33/00/10/597330010.db2.gz YJACNPYMDJOQSU-ZETCQYMHSA-N -1 0 312.303 -0.580 20 0 DBADRM COCCS(=O)(=O)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000818545471 597335122 /nfs/dbraw/zinc/33/51/22/597335122.db2.gz PDHYJAUMWUMPSE-UHFFFAOYSA-N -1 0 307.368 -0.049 20 0 DBADRM O=C([O-])[C@H]1CC(C(=O)NCCOCCO)=NN1c1ccccc1 ZINC000819181655 597336876 /nfs/dbraw/zinc/33/68/76/597336876.db2.gz RGDDHOOMZHNWEN-CYBMUJFWSA-N -1 0 321.333 -0.169 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC(=O)[O-])n(C2CCOCC2)n1 ZINC000820997184 597342749 /nfs/dbraw/zinc/34/27/49/597342749.db2.gz ZDHNDTMJHLRZDP-UHFFFAOYSA-N -1 0 310.310 -0.318 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)C(=O)[O-] ZINC000820115665 597344017 /nfs/dbraw/zinc/34/40/17/597344017.db2.gz YWWRCWNXJOWRJJ-VIFPVBQESA-N -1 0 317.305 -0.146 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1)C(=O)[O-] ZINC000737676780 597358546 /nfs/dbraw/zinc/35/85/46/597358546.db2.gz PTDQEXPMVBXEOT-WCBMZHEXSA-N -1 0 322.321 -0.234 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000819521563 597358794 /nfs/dbraw/zinc/35/87/94/597358794.db2.gz PSMVPAFRLGHDIZ-VIFPVBQESA-N -1 0 308.294 -0.622 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)OCc2cn(CC(=O)[O-])nn2)CC1=O ZINC000819977106 597360110 /nfs/dbraw/zinc/36/01/10/597360110.db2.gz XDPMYVPDVVLBDC-JTQLQIEISA-N -1 0 324.337 -0.090 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)OCc1cn(CC(=O)[O-])nn1 ZINC000821208910 597360625 /nfs/dbraw/zinc/36/06/25/597360625.db2.gz IXMWVWZTBWGYNK-UHFFFAOYSA-N -1 0 323.309 -0.165 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C ZINC000820562161 597362434 /nfs/dbraw/zinc/36/24/34/597362434.db2.gz ABBAZUTUBJGKFW-ZETCQYMHSA-N -1 0 303.315 -0.702 20 0 DBADRM O=C([O-])Cn1cc(COC(=O)[C@@H]2CC(=O)N(C3CC3)C2)nn1 ZINC000821538785 597362958 /nfs/dbraw/zinc/36/29/58/597362958.db2.gz PBWFDFJALLRWSP-MRVPVSSYSA-N -1 0 308.294 -0.583 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Cn2ncc3ccccc3c2=O)CCO1 ZINC000738546582 597373635 /nfs/dbraw/zinc/37/36/35/597373635.db2.gz HNGZAAPKRTYMHX-GFCCVEGCSA-N -1 0 317.301 -0.292 20 0 DBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1cnc(N(C)C)nc1)C(=O)[O-] ZINC000820036821 597380778 /nfs/dbraw/zinc/38/07/78/597380778.db2.gz ZJHMTBPSLZKWES-SECBINFHSA-N -1 0 309.326 -0.294 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@@H](C)C1 ZINC000819731332 597381042 /nfs/dbraw/zinc/38/10/42/597381042.db2.gz JAJIEVBBDRXJCZ-ZMLRMANQSA-N -1 0 313.354 -0.262 20 0 DBADRM Cn1c(=O)oc2c1cccc2NC(=O)C(=O)NCCC(=O)[O-] ZINC000821268789 597384106 /nfs/dbraw/zinc/38/41/06/597384106.db2.gz JPKNDFLDKZDIOX-UHFFFAOYSA-N -1 0 307.262 -0.339 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000690658938 597385018 /nfs/dbraw/zinc/38/50/18/597385018.db2.gz KTESLPFYQMNJIQ-SECBINFHSA-N -1 0 307.372 -0.616 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NC[C@@]1(O)CCOC1 ZINC000821539038 597393077 /nfs/dbraw/zinc/39/30/77/597393077.db2.gz DLECUYXUQQOZSJ-HNNXBMFYSA-N -1 0 322.317 -0.480 20 0 DBADRM CC[C@]1(c2cnn(C)c2)NC(=O)N(CN(C)[C@H](C)C(=O)[O-])C1=O ZINC000820290834 597393540 /nfs/dbraw/zinc/39/35/40/597393540.db2.gz QVJDSWHUVUIBDC-YMTOWFKASA-N -1 0 323.353 -0.060 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000820437743 597399587 /nfs/dbraw/zinc/39/95/87/597399587.db2.gz VRUORFCXOQRRDC-ONGXEEELSA-N -1 0 306.384 -0.668 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC000818506987 597411290 /nfs/dbraw/zinc/41/12/90/597411290.db2.gz WBOSUYAJLJVTIX-QMMMGPOBSA-N -1 0 312.282 -0.627 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cncc(Br)c1 ZINC000821529805 597414890 /nfs/dbraw/zinc/41/48/90/597414890.db2.gz LXRNDKUUWHWRTD-UHFFFAOYSA-N -1 0 302.084 -0.017 20 0 DBADRM CC(=O)N1CCC(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000737538727 597424935 /nfs/dbraw/zinc/42/49/35/597424935.db2.gz AYPWRJSDFOFBAM-LBPRGKRZSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000196235675 597438836 /nfs/dbraw/zinc/43/88/36/597438836.db2.gz CEOBKYCMQIBZCX-NKWVEPMBSA-N -1 0 303.315 -0.656 20 0 DBADRM COCCn1nc(C(=O)N2CCCC[C@@H]2C(=O)[O-])ccc1=O ZINC000314481973 597440938 /nfs/dbraw/zinc/44/09/38/597440938.db2.gz NRHONRUJFXICIJ-LLVKDONJSA-N -1 0 309.322 -0.031 20 0 DBADRM O=C([O-])[C@@H]1CCCCN1C(=O)Cn1ncn2nccc2c1=O ZINC000821509413 597451471 /nfs/dbraw/zinc/45/14/71/597451471.db2.gz UFQWAAUQQHNQDN-JTQLQIEISA-N -1 0 305.294 -0.643 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000262924658 597466408 /nfs/dbraw/zinc/46/64/08/597466408.db2.gz VZRZQPWBMXWXFP-LURJTMIESA-N -1 0 306.278 -0.421 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000037435687 597494541 /nfs/dbraw/zinc/49/45/41/597494541.db2.gz DWTQQNGHEHKWQG-RKDXNWHRSA-N -1 0 307.393 -0.018 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CSCC(=O)[O-] ZINC000818114107 597495186 /nfs/dbraw/zinc/49/51/86/597495186.db2.gz WOFGAHVRGRSGIK-RKDXNWHRSA-N -1 0 324.424 -0.410 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N1CC[C@@H](C(=O)[O-])C1)n1cccn1 ZINC000261761533 597497118 /nfs/dbraw/zinc/49/71/18/597497118.db2.gz IBCJOWKVDPRPKU-WDEREUQCSA-N -1 0 308.338 -0.164 20 0 DBADRM Cn1cc(/C=C\C(=O)N2CC[C@@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000819068005 597497269 /nfs/dbraw/zinc/49/72/69/597497269.db2.gz SPELAQQMTPHLQC-UMBAGQNISA-N -1 0 307.306 -0.970 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N1CC[C@H](C(=O)[O-])C1)n1cccn1 ZINC000261761528 597497327 /nfs/dbraw/zinc/49/73/27/597497327.db2.gz IBCJOWKVDPRPKU-MNOVXSKESA-N -1 0 308.338 -0.164 20 0 DBADRM C[C@@H](OC(=O)COc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000737709339 597500788 /nfs/dbraw/zinc/50/07/88/597500788.db2.gz YUFNKDZHPPMQJS-SSDOTTSWSA-N -1 0 303.292 -0.271 20 0 DBADRM CN(CC(=O)N1CC[C@H](C(=O)[O-])C1)c1ncnc2nc[nH]c21 ZINC000261799060 597500807 /nfs/dbraw/zinc/50/08/07/597500807.db2.gz KWWRCZNTHIOXLU-QMMMGPOBSA-N -1 0 304.310 -0.278 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[C@@H](C(=O)[O-])C3)cnc21 ZINC000819057808 597503059 /nfs/dbraw/zinc/50/30/59/597503059.db2.gz CGVSYJGCUJXVQP-SSDOTTSWSA-N -1 0 318.289 -0.419 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000818486099 597508175 /nfs/dbraw/zinc/50/81/75/597508175.db2.gz KIBREZVIGMTMGU-SNVBAGLBSA-N -1 0 312.370 -0.687 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000818255802 597508462 /nfs/dbraw/zinc/50/84/62/597508462.db2.gz WXSLBRYVRBDZFQ-JTQLQIEISA-N -1 0 321.399 -0.226 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000400103352 597509911 /nfs/dbraw/zinc/50/99/11/597509911.db2.gz BUMLAAHMBQUECI-ZJUUUORDSA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)N(C)C)c1)C(=O)[O-] ZINC000818023361 597517757 /nfs/dbraw/zinc/51/77/57/597517757.db2.gz XADSNWORIOQHFQ-MRVPVSSYSA-N -1 0 307.306 -0.084 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000818019056 597519656 /nfs/dbraw/zinc/51/96/56/597519656.db2.gz WBGMYCPOCGPDQU-ZETCQYMHSA-N -1 0 320.305 -0.595 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818005102 597520608 /nfs/dbraw/zinc/52/06/08/597520608.db2.gz ZWTDPZBYLFGKBU-QMMMGPOBSA-N -1 0 307.306 -0.368 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000819124798 597521801 /nfs/dbraw/zinc/52/18/01/597521801.db2.gz SDUIVKALIOSSSG-SECBINFHSA-N -1 0 305.290 -0.343 20 0 DBADRM C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C(=O)[O-])C1 ZINC000817728011 597528924 /nfs/dbraw/zinc/52/89/24/597528924.db2.gz UWRUOMCRGVCQQO-GMTAPVOTSA-N -1 0 318.395 -0.573 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[C@H](C(=O)[O-])C1 ZINC000817737870 597530357 /nfs/dbraw/zinc/53/03/57/597530357.db2.gz LBXHLKTUJHVISO-UTLUCORTSA-N -1 0 304.368 -0.915 20 0 DBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000261749786 597532552 /nfs/dbraw/zinc/53/25/52/597532552.db2.gz WCUGBWZSKYUUQT-VIFPVBQESA-N -1 0 323.334 -0.243 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC000821357096 597611125 /nfs/dbraw/zinc/61/11/25/597611125.db2.gz ICTMVZHWAOAHCI-UHFFFAOYSA-N -1 0 320.305 -0.558 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cccc(C(N)=O)n1)C(=O)[O-] ZINC000820429933 597612379 /nfs/dbraw/zinc/61/23/79/597612379.db2.gz QAHREWRLCFLKIF-XVKPBYJWSA-N -1 0 322.321 -0.266 20 0 DBADRM COC(=O)c1cnc(C(=O)OCc2cn(CC(=O)[O-])nn2)cn1 ZINC000820693872 597640292 /nfs/dbraw/zinc/64/02/92/597640292.db2.gz MNVDMMLNTAHAHC-UHFFFAOYSA-N -1 0 321.249 -0.704 20 0 DBADRM O=C([O-])C1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000821426392 597667811 /nfs/dbraw/zinc/66/78/11/597667811.db2.gz SEXNPGHLYMYYLO-UHFFFAOYSA-N -1 0 309.326 -0.354 20 0 DBADRM CC(=O)NCCN(CC(=O)Nc1nccs1)[C@H](C)C(=O)[O-] ZINC000819770416 597676567 /nfs/dbraw/zinc/67/65/67/597676567.db2.gz RJKPFYNUXCVRLJ-MRVPVSSYSA-N -1 0 314.367 -0.007 20 0 DBADRM CC(=O)NCCN(CC(=O)N1CCO[C@@H](C)C1)[C@H](C)C(=O)[O-] ZINC000819770537 597678299 /nfs/dbraw/zinc/67/82/99/597678299.db2.gz XHRIYCLCEPGONH-WDEREUQCSA-N -1 0 315.370 -0.855 20 0 DBADRM CC(=O)NCCN(C(=O)C[C@](C)(O)C1CC1)[C@@H](C)C(=O)[O-] ZINC000819744430 597684904 /nfs/dbraw/zinc/68/49/04/597684904.db2.gz LZLACQJRAOQUAL-XPTSAGLGSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(=O)NCCN(C(=O)c1cc(C(N)=O)c[nH]1)[C@@H](C)C(=O)[O-] ZINC000819753131 597686057 /nfs/dbraw/zinc/68/60/57/597686057.db2.gz QMCNJMKGFSYKGE-ZETCQYMHSA-N -1 0 310.310 -0.835 20 0 DBADRM CC(=O)NCCN(C(=O)C1=NN(C)C(=O)CC1)[C@@H](C)C(=O)[O-] ZINC000819744531 597689757 /nfs/dbraw/zinc/68/97/57/597689757.db2.gz RXBRIYMULLYTBF-QMMMGPOBSA-N -1 0 312.326 -0.968 20 0 DBADRM CCn1cc(C(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cn1 ZINC000820511523 597692362 /nfs/dbraw/zinc/69/23/62/597692362.db2.gz YVKYCPGKMBHMIU-VIFPVBQESA-N -1 0 324.337 -0.477 20 0 DBADRM CC(=O)NCCN(C(=O)c1cc(C(N)=O)cn1C)[C@@H](C)C(=O)[O-] ZINC000819753071 597692863 /nfs/dbraw/zinc/69/28/63/597692863.db2.gz METVRNAFVAKUFV-QMMMGPOBSA-N -1 0 324.337 -0.825 20 0 DBADRM COc1ncc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cn1 ZINC000781134699 597692917 /nfs/dbraw/zinc/69/29/17/597692917.db2.gz FEJTYXHVDKETSO-MRVPVSSYSA-N -1 0 310.310 -0.463 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C\c1cnn(C)c1)[C@H](C)C(=O)[O-] ZINC000781136917 597693735 /nfs/dbraw/zinc/69/37/35/597693735.db2.gz RFEFBZSUSURKLN-UMCURTJPSA-N -1 0 308.338 -0.129 20 0 DBADRM COc1c(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cccc1C(N)=O ZINC000820755071 597726655 /nfs/dbraw/zinc/72/66/55/597726655.db2.gz VDFDFVVIZICUMD-LURJTMIESA-N -1 0 309.278 -0.678 20 0 DBADRM Cn1cc(CNC(=O)C(=O)Nc2ccccc2CC(=O)[O-])nn1 ZINC000821287265 597731688 /nfs/dbraw/zinc/73/16/88/597731688.db2.gz GRIJPVFZULVPAM-UHFFFAOYSA-N -1 0 317.305 -0.303 20 0 DBADRM O=C([O-])CNC(=O)C[S@@](=O)Cc1cc(=O)n2ccccc2n1 ZINC000821535326 597737498 /nfs/dbraw/zinc/73/74/98/597737498.db2.gz WOVIBFMYOAEOPM-QFIPXVFZSA-N -1 0 323.330 -0.856 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)c2ccccc2CS1(=O)=O ZINC000818703162 597754122 /nfs/dbraw/zinc/75/41/22/597754122.db2.gz LWIXTNKWQMYVQK-UHFFFAOYSA-N -1 0 312.303 -0.827 20 0 DBADRM C[C@]1(c2ccsc2)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000818702561 597754158 /nfs/dbraw/zinc/75/41/58/597754158.db2.gz BKLRFCZHQQPJEY-GFCCVEGCSA-N -1 0 311.319 -0.284 20 0 DBADRM Cn1ncc2c1nc(CSCC(=O)NCC(=O)[O-])[nH]c2=O ZINC000821315221 597754700 /nfs/dbraw/zinc/75/47/00/597754700.db2.gz KKWKROPZIMAXBB-UHFFFAOYSA-N -1 0 311.323 -0.497 20 0 DBADRM Cc1cc([C@@]2(C)NC(=O)N(CC(=O)NCC(=O)[O-])C2=O)c(C)o1 ZINC000820972828 597754851 /nfs/dbraw/zinc/75/48/51/597754851.db2.gz YOLWNRPAGFBWII-CQSZACIVSA-N -1 0 323.305 -0.136 20 0 DBADRM NC(=O)c1cn(CC(=O)NCC(=O)[O-])nc1-c1ccccc1 ZINC000821357462 597755827 /nfs/dbraw/zinc/75/58/27/597755827.db2.gz RZHYHVXICLHZLG-UHFFFAOYSA-N -1 0 302.290 -0.150 20 0 DBADRM CS(=O)(=O)N(CC(=O)NCC(=O)[O-])Cc1ccccc1 ZINC000820891042 597760636 /nfs/dbraw/zinc/76/06/36/597760636.db2.gz WGGQLPYHZLFCTD-UHFFFAOYSA-N -1 0 300.336 -0.351 20 0 DBADRM CS(=O)(=O)N(CC(=O)NCC(=O)[O-])c1ccccc1F ZINC000820890661 597763139 /nfs/dbraw/zinc/76/31/39/597763139.db2.gz LFYQNUATIBJOMC-UHFFFAOYSA-N -1 0 304.299 -0.208 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)NCC(=O)[O-])c2ccccc2O1 ZINC000820660936 597769691 /nfs/dbraw/zinc/76/96/91/597769691.db2.gz ONQWXONTENMLBW-NSHDSACASA-N -1 0 308.290 -0.372 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC(CC(=O)N2CCCC2)CC1 ZINC000821529068 597770152 /nfs/dbraw/zinc/77/01/52/597770152.db2.gz CVSSROGKKDEIAI-UHFFFAOYSA-N -1 0 311.382 -0.088 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000821530611 597795338 /nfs/dbraw/zinc/79/53/38/597795338.db2.gz NIEJWJCQENIINH-MRVPVSSYSA-N -1 0 312.351 -0.253 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000820554263 597796181 /nfs/dbraw/zinc/79/61/81/597796181.db2.gz KSFRTFPCJYXTLS-ZJUUUORDSA-N -1 0 306.384 -0.525 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000820554261 597796389 /nfs/dbraw/zinc/79/63/89/597796389.db2.gz KSFRTFPCJYXTLS-VHSXEESVSA-N -1 0 306.384 -0.525 20 0 DBADRM COC(=O)C1(NCCCCC(=O)[O-])CCS(=O)(=O)CC1 ZINC000820653572 597797302 /nfs/dbraw/zinc/79/73/02/597797302.db2.gz MRVDVLNNFYRJEV-UHFFFAOYSA-N -1 0 307.368 -0.049 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000821530964 597799589 /nfs/dbraw/zinc/79/95/89/597799589.db2.gz SNAMPDBASHSLPP-SNVBAGLBSA-N -1 0 307.354 -0.007 20 0 DBADRM CCOC(=O)N1CCC(C(=O)OCC(=O)NCC(=O)[O-])CC1 ZINC000820369058 597824010 /nfs/dbraw/zinc/82/40/10/597824010.db2.gz LNVQEBFJBHRKMR-UHFFFAOYSA-N -1 0 316.310 -0.401 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CNC(=O)C1CCCCC1 ZINC000821531914 597825186 /nfs/dbraw/zinc/82/51/86/597825186.db2.gz MHXGLHJUSRUZEL-UHFFFAOYSA-N -1 0 300.311 -0.573 20 0 DBADRM C[S@](=O)Cc1cccc(C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000820900446 597826934 /nfs/dbraw/zinc/82/69/34/597826934.db2.gz VONUTIAEDQYWRI-NRFANRHFSA-N -1 0 313.331 -0.077 20 0 DBADRM CC(C)C(=O)N1CCC(C(=O)OCC(=O)NCC(=O)[O-])CC1 ZINC000819954832 597827601 /nfs/dbraw/zinc/82/76/01/597827601.db2.gz AZNKMJKILSVKNH-UHFFFAOYSA-N -1 0 314.338 -0.375 20 0 DBADRM CN(C)C(=O)N1CCC(C(=O)OCC(=O)NCC(=O)[O-])CC1 ZINC000820530404 597834162 /nfs/dbraw/zinc/83/41/62/597834162.db2.gz IQKYDYBODKHDRF-UHFFFAOYSA-N -1 0 315.326 -0.876 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)Cc1cnn(-c2ccccc2)n1 ZINC000821531058 597835272 /nfs/dbraw/zinc/83/52/72/597835272.db2.gz DCCFCZADZGBVKO-UHFFFAOYSA-N -1 0 318.289 -0.446 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)Cn1ncc2ccccc2c1=O ZINC000821532762 597835314 /nfs/dbraw/zinc/83/53/14/597835314.db2.gz XIRYQONVQNXDJP-UHFFFAOYSA-N -1 0 319.273 -0.860 20 0 DBADRM Cn1cc(C(=O)OCC(=O)NCC(=O)[O-])c(C(F)(F)F)n1 ZINC000821288073 597836651 /nfs/dbraw/zinc/83/66/51/597836651.db2.gz XVLYNPFZSDAMDI-UHFFFAOYSA-N -1 0 309.200 -0.204 20 0 DBADRM CC(=O)NCc1ccc(C(=O)OCC(=O)NCC(=O)[O-])s1 ZINC000819781040 597837793 /nfs/dbraw/zinc/83/77/93/597837793.db2.gz PVLKCKSMHYVWFV-UHFFFAOYSA-N -1 0 314.319 -0.258 20 0 DBADRM Cn1c(=O)[nH]c2cc(C(=O)OCC(=O)NCC(=O)[O-])ccc21 ZINC000821269212 597838446 /nfs/dbraw/zinc/83/84/46/597838446.db2.gz QBWWSAGWNQVYCQ-UHFFFAOYSA-N -1 0 307.262 -0.364 20 0 DBADRM CCCC(=O)N1CCC[C@@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820297362 597838793 /nfs/dbraw/zinc/83/87/93/597838793.db2.gz UTJLIAYNQIGSKW-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C/C=C(\C)C(=O)OC)c1=O ZINC000736712797 599284490 /nfs/dbraw/zinc/28/44/90/599284490.db2.gz CJNFZDWQPFUIHZ-VMPITWQZSA-N -1 0 320.309 -0.671 20 0 DBADRM CC(C)N(CC(=O)[O-])CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000737635953 598080230 /nfs/dbraw/zinc/08/02/30/598080230.db2.gz TXWFGSKGAFVDLO-UHFFFAOYSA-N -1 0 324.337 -0.156 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776481752 598087730 /nfs/dbraw/zinc/08/77/30/598087730.db2.gz CZSQNGHKULMHTD-SNVBAGLBSA-N -1 0 322.383 -0.231 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)CCO1 ZINC000821510508 598160902 /nfs/dbraw/zinc/16/09/02/598160902.db2.gz GRSUUEJYJRUUAC-COPLHBTASA-N -1 0 314.338 -0.181 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)NCCCCC(=O)[O-] ZINC000821357055 598169047 /nfs/dbraw/zinc/16/90/47/598169047.db2.gz DZGPZHZNZYMNOY-UHFFFAOYSA-N -1 0 305.294 -0.187 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)NCCCCC(=O)[O-])CC1 ZINC000820398374 598170320 /nfs/dbraw/zinc/17/03/20/598170320.db2.gz RKFKCWQEZSUDDU-UHFFFAOYSA-N -1 0 321.399 -0.082 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NCCn1ncnn1 ZINC000821539802 598171011 /nfs/dbraw/zinc/17/10/11/598171011.db2.gz QULIJOYJCITGTK-UHFFFAOYSA-N -1 0 318.293 -0.945 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NCCn2ncnn2)c1 ZINC000821537834 598171020 /nfs/dbraw/zinc/17/10/20/598171020.db2.gz KNIVPFLPYYGARA-UHFFFAOYSA-N -1 0 318.293 -0.945 20 0 DBADRM COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820710290 598174777 /nfs/dbraw/zinc/17/47/77/598174777.db2.gz LAHMHPICSJIUBA-AWEZNQCLSA-N -1 0 310.306 -0.163 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820251970 598175519 /nfs/dbraw/zinc/17/55/19/598175519.db2.gz UKVIXFZVCQROGJ-NXEZZACHSA-N -1 0 322.317 -0.069 20 0 DBADRM Cn1nnnc1CCNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000821314868 598183677 /nfs/dbraw/zinc/18/36/77/598183677.db2.gz APLKXXFJBKPDNW-UHFFFAOYSA-N -1 0 304.310 -0.050 20 0 DBADRM COC(=O)c1csc(NC(=O)C(=O)NCC(=O)[O-])c1C ZINC000820693882 598195171 /nfs/dbraw/zinc/19/51/71/598195171.db2.gz NNYGDKWSZQQNLS-UHFFFAOYSA-N -1 0 300.292 -0.018 20 0 DBADRM O=C([O-])CSCC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000821536296 598196280 /nfs/dbraw/zinc/19/62/80/598196280.db2.gz BUTUMUYEEQUGNZ-SECBINFHSA-N -1 0 305.352 -0.158 20 0 DBADRM NS(=O)(=O)c1ccc(O)c(NC(=O)CSCC(=O)[O-])c1 ZINC000821363805 598198162 /nfs/dbraw/zinc/19/81/62/598198162.db2.gz APUAUYGWWJPWOC-UHFFFAOYSA-N -1 0 320.348 -0.204 20 0 DBADRM COC(=O)c1cn(C2CN(C(=O)CSCC(=O)[O-])C2)nn1 ZINC000820689454 598220726 /nfs/dbraw/zinc/22/07/26/598220726.db2.gz MMWOAVQIBFORSM-UHFFFAOYSA-N -1 0 314.323 -0.734 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCCCN1C(=O)CCC1=O ZINC000738583267 600498942 /nfs/dbraw/zinc/49/89/42/600498942.db2.gz UXVKMOQPJJEMMZ-UHFFFAOYSA-N -1 0 306.340 -0.690 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)N[C@@H]2CCS(=O)(=O)C2)o1 ZINC000094555604 600543405 /nfs/dbraw/zinc/54/34/05/600543405.db2.gz IWQDBXXQUAEUPH-SSDOTTSWSA-N -1 0 302.308 -0.036 20 0 DBADRM O=C(NCc1ccc(-c2nn[nH]n2)cc1F)c1n[nH]c(=O)[n-]1 ZINC000738102171 598323275 /nfs/dbraw/zinc/32/32/75/598323275.db2.gz OJIQOQFXNWZXGN-UHFFFAOYSA-N -1 0 304.245 -0.241 20 0 DBADRM CCN(CC)S(=O)(=O)N1CCN(C[C@](C)(O)C(=O)[O-])CC1 ZINC000737087436 600761256 /nfs/dbraw/zinc/76/12/56/600761256.db2.gz FMAQSAZVVBUIDN-LBPRGKRZSA-N -1 0 323.415 -0.974 20 0 DBADRM C[C@H]1CCCCN1S(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC000035680377 600832771 /nfs/dbraw/zinc/83/27/71/600832771.db2.gz FZBUERPPOVILKQ-NSHDSACASA-N -1 0 305.400 -0.192 20 0 DBADRM CCOc1cc(-c2nn[nH]n2)ccc1OCC(=O)NCC(=O)[O-] ZINC000736627634 598493336 /nfs/dbraw/zinc/49/33/36/598493336.db2.gz OVEJQBZWUOFWQK-UHFFFAOYSA-N -1 0 321.293 -0.155 20 0 DBADRM O=C(CNc1ccc(-c2nn[nH]n2)cc1)NCc1nnn[n-]1 ZINC000095233227 598625113 /nfs/dbraw/zinc/62/51/13/598625113.db2.gz AYDIYWDTYIHTQH-UHFFFAOYSA-N -1 0 300.286 -0.892 20 0 DBADRM C[C@H]1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCS1 ZINC000736289189 598757466 /nfs/dbraw/zinc/75/74/66/598757466.db2.gz KOKPCRQFLPMBLA-ZETCQYMHSA-N -1 0 323.382 -0.794 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCCCOC(C)=O)c1=O ZINC000736713187 598761757 /nfs/dbraw/zinc/76/17/57/598761757.db2.gz HGMYGCMRFRVPFQ-UHFFFAOYSA-N -1 0 322.325 -0.447 20 0 DBADRM CCC[C@@](C)(O)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736415624 598774598 /nfs/dbraw/zinc/77/45/98/598774598.db2.gz HNUHIFNQQCDGLT-CYBMUJFWSA-N -1 0 323.357 -0.773 20 0 DBADRM CC(C)[C@@](C)(O)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000735692462 598788489 /nfs/dbraw/zinc/78/84/89/598788489.db2.gz IIPVIJPZNMZEFS-ZDUSSCGKSA-N -1 0 323.357 -0.917 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@H]2CC2(C)C)n(C)c1=O ZINC000737596423 598788996 /nfs/dbraw/zinc/78/89/96/598788996.db2.gz NNBGVPCVUDGGJI-ZETCQYMHSA-N -1 0 305.342 -0.278 20 0 DBADRM O=C1NC2(CCCC2)C(=O)N1CCn1cnc(-c2nnn[n-]2)n1 ZINC000738315893 599340654 /nfs/dbraw/zinc/34/06/54/599340654.db2.gz NFGIXSZVLFTTQY-UHFFFAOYSA-N -1 0 317.313 -0.677 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cccc(C)n2)c1=O ZINC000736719746 599368207 /nfs/dbraw/zinc/36/82/07/599368207.db2.gz SAZPHBDVKCZFKU-UHFFFAOYSA-N -1 0 313.321 -0.038 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2CC=CCC2)n(C)c1=O ZINC000737597264 599443406 /nfs/dbraw/zinc/44/34/06/599443406.db2.gz RTXDPLYJAVIKBK-MRVPVSSYSA-N -1 0 303.326 -0.215 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2CC=CCC2)n(C)c1=O ZINC000737597266 599443644 /nfs/dbraw/zinc/44/36/44/599443644.db2.gz RTXDPLYJAVIKBK-QMMMGPOBSA-N -1 0 303.326 -0.215 20 0 DBADRM O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)c1n[nH]c(=O)[n-]1 ZINC000823214859 599469641 /nfs/dbraw/zinc/46/96/41/599469641.db2.gz DUMRGAHYDDCOLR-UHFFFAOYSA-N -1 0 316.281 -0.501 20 0 DBADRM C[C@H]1CCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@H]1C ZINC000820709213 599578863 /nfs/dbraw/zinc/57/88/63/599578863.db2.gz GCURTJDEFWZOAU-IUCAKERBSA-N -1 0 319.369 -0.111 20 0 DBADRM CC[C@H]1C[C@H](C)CN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820972137 599688910 /nfs/dbraw/zinc/68/89/10/599688910.db2.gz LKSMTXKKXHERPB-IUCAKERBSA-N -1 0 319.369 -0.111 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)OCC(=O)NC(=O)NCC(F)(F)F ZINC000739322982 599700879 /nfs/dbraw/zinc/70/08/79/599700879.db2.gz SVOPLBLWVCKKKN-WHFBIAKZSA-N -1 0 312.200 -0.362 20 0 DBADRM O=C(COC(=O)[C@@H]1C[C@@H]1C(=O)[O-])NC(=O)NCc1ccco1 ZINC000739321275 599703934 /nfs/dbraw/zinc/70/39/34/599703934.db2.gz OUHVVYTXHOIXTD-DTWKUNHWSA-N -1 0 310.262 -0.131 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000218280512 599727816 /nfs/dbraw/zinc/72/78/16/599727816.db2.gz HCCRBSKPZWDOIH-ZJUUUORDSA-N -1 0 320.367 -0.335 20 0 DBADRM CN(CCCC(=O)NCCN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000737425799 599740880 /nfs/dbraw/zinc/74/08/80/599740880.db2.gz HZPACMCNAKGVQG-UHFFFAOYSA-N -1 0 321.399 -0.777 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)CCNC(=O)[O-] ZINC000738069072 599742774 /nfs/dbraw/zinc/74/27/74/599742774.db2.gz IBQRKLMFYBMJSW-UHFFFAOYSA-N -1 0 317.323 -0.061 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000096596070 599743353 /nfs/dbraw/zinc/74/33/53/599743353.db2.gz WXXGKBREIGKHFV-NEPJUHHUSA-N -1 0 306.318 -0.403 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)CCCNC(=O)[O-])CC1 ZINC000737222809 599743346 /nfs/dbraw/zinc/74/33/46/599743346.db2.gz LOQGGBAODMZLSD-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)CCSCC(=O)[O-])CC1 ZINC000738158556 599744175 /nfs/dbraw/zinc/74/41/75/599744175.db2.gz VPRCLDZVTUCOQO-UHFFFAOYSA-N -1 0 324.424 -0.312 20 0 DBADRM Cc1cc(C(=O)N[C@H](CO)C(=O)[O-])cc(S(N)(=O)=O)c1C ZINC000738333394 599745433 /nfs/dbraw/zinc/74/54/33/599745433.db2.gz UWSSTYDWKGPPQB-SECBINFHSA-N -1 0 316.335 -0.874 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCCNC(=O)c1ccsc1 ZINC000739234854 599745612 /nfs/dbraw/zinc/74/56/12/599745612.db2.gz ZFWCHXPDPAAGKX-SECBINFHSA-N -1 0 300.336 -0.180 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000739269445 599745743 /nfs/dbraw/zinc/74/57/43/599745743.db2.gz XJZDVVBZDKJGEM-JTQLQIEISA-N -1 0 321.289 -0.946 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CN1c2ccccc2OCCC1=O ZINC000739273238 599745846 /nfs/dbraw/zinc/74/58/46/599745846.db2.gz GDVMJZWQJDMAHQ-SECBINFHSA-N -1 0 308.290 -0.636 20 0 DBADRM CNS(=O)(=O)c1cccc(CNC(=O)CCNC(=O)[O-])c1 ZINC000737557759 599745896 /nfs/dbraw/zinc/74/58/96/599745896.db2.gz MESRDBHEFOJXFF-UHFFFAOYSA-N -1 0 315.351 -0.131 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)CCCNC(=O)[O-])C1 ZINC000738157399 599745992 /nfs/dbraw/zinc/74/59/92/599745992.db2.gz JMJGWBUVCBHSIB-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)CCNC(=O)[O-] ZINC000738165354 599748857 /nfs/dbraw/zinc/74/88/57/599748857.db2.gz RLOXFMHXKSGEQP-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)NCCCN1CCCS1(=O)=O ZINC000736328536 599749170 /nfs/dbraw/zinc/74/91/70/599749170.db2.gz OMQRXLWUCIKVCM-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM O=C([O-])NCCC(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000739937011 599750236 /nfs/dbraw/zinc/75/02/36/599750236.db2.gz BPQMGDXGFCSEGB-ZDUSSCGKSA-N -1 0 317.411 -0.032 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CCNC(=O)C1CCCCC1 ZINC000739814950 599751273 /nfs/dbraw/zinc/75/12/73/599751273.db2.gz ZPNMLNSURALPMB-UHFFFAOYSA-N -1 0 314.338 -0.183 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)Nc1ccccc1C(N)=O ZINC000737614960 599757529 /nfs/dbraw/zinc/75/75/29/599757529.db2.gz ICPMHYGLKXICCW-UHFFFAOYSA-N -1 0 323.305 -0.716 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCNC(=O)C2CC2)o1 ZINC000160680815 599766612 /nfs/dbraw/zinc/76/66/12/599766612.db2.gz DNZBOGPNBMOGAV-UHFFFAOYSA-N -1 0 302.308 -0.218 20 0 DBADRM O=C([O-])c1nc2n(n1)CCCN2C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000740278327 599768334 /nfs/dbraw/zinc/76/83/34/599768334.db2.gz SLAKESSFGRCSPE-QMMMGPOBSA-N -1 0 319.321 -0.276 20 0 DBADRM CNC(=O)CCN(C)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000737537641 599772832 /nfs/dbraw/zinc/77/28/32/599772832.db2.gz WKSWYTIQRJOQQL-UHFFFAOYSA-N -1 0 314.367 -0.223 20 0 DBADRM C[C@H](NC(=O)CN[C@H](C(=O)[O-])c1ccccc1)C(=O)N(C)C ZINC000736638566 599781671 /nfs/dbraw/zinc/78/16/71/599781671.db2.gz IGTYITVJMQQCDW-GWCFXTLKSA-N -1 0 307.350 -0.005 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000262500519 599781770 /nfs/dbraw/zinc/78/17/70/599781770.db2.gz IEWKMMSBLOMXNT-UWVGGRQHSA-N -1 0 306.384 -0.115 20 0 DBADRM CCC(CC)(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(N)=O ZINC000736893900 599786240 /nfs/dbraw/zinc/78/62/40/599786240.db2.gz NAJCADQTTYEJBA-UHFFFAOYSA-N -1 0 321.399 -0.339 20 0 DBADRM CNC(=O)[C@H]1CCCCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000315716218 599800611 /nfs/dbraw/zinc/80/06/11/599800611.db2.gz DICTVAYAWOLNEM-GFCCVEGCSA-N -1 0 311.382 -0.090 20 0 DBADRM Cn1c2ncn(Cc3cc(C(=O)[O-])co3)c2c(=O)n(C)c1=O ZINC000739000349 599803276 /nfs/dbraw/zinc/80/32/76/599803276.db2.gz YNXUJCMSTBQXCE-UHFFFAOYSA-N -1 0 304.262 -0.227 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)NCC(=O)N(C)C)c(C(=O)[O-])c1C ZINC000736181308 599819206 /nfs/dbraw/zinc/81/92/06/599819206.db2.gz KMTYCHCERBZEQD-UHFFFAOYSA-N -1 0 309.322 -0.029 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)[C@H](C)N1CCOCC1 ZINC000736646632 599834305 /nfs/dbraw/zinc/83/43/05/599834305.db2.gz WMNVOTKTDJTGNM-SRVKXCTJSA-N -1 0 315.370 -0.409 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)CCCN(C)C(=O)[O-] ZINC000737767607 599834568 /nfs/dbraw/zinc/83/45/68/599834568.db2.gz CWMAYJKMFQUSLG-UHFFFAOYSA-N -1 0 303.359 -0.060 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)Nc2ccn(CC(=O)[O-])n2)c1C ZINC000738904920 599842556 /nfs/dbraw/zinc/84/25/56/599842556.db2.gz DQLDUHCMTPCPIU-UHFFFAOYSA-N -1 0 305.294 -0.069 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)COC(=O)C(C)(C)NC(=O)[O-] ZINC000737746544 599864582 /nfs/dbraw/zinc/86/45/82/599864582.db2.gz BLEOULSBLHCNQR-ZETCQYMHSA-N -1 0 319.314 -0.564 20 0 DBADRM C[C@@H](OC(=O)C1(C(=O)NC2CC2)CCC1)C(=O)NCC(=O)[O-] ZINC000736681285 599865818 /nfs/dbraw/zinc/86/58/18/599865818.db2.gz ATXFLHKHJSHLNW-MRVPVSSYSA-N -1 0 312.322 -0.432 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)CCCN(C)C(=O)[O-])n1 ZINC000737438724 599874075 /nfs/dbraw/zinc/87/40/75/599874075.db2.gz ZXHHRAJXPKRXOF-UHFFFAOYSA-N -1 0 312.330 -0.047 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737408043 599880033 /nfs/dbraw/zinc/88/00/33/599880033.db2.gz JCKDNDMXHVMPTD-UHFFFAOYSA-N -1 0 307.306 -0.414 20 0 DBADRM Cc1nc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)[O-])cn1C ZINC000738362545 599885371 /nfs/dbraw/zinc/88/53/71/599885371.db2.gz UDKUCNQRXHLNSV-SSDOTTSWSA-N -1 0 319.339 -0.587 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1csc(-c2cnccn2)n1 ZINC000739813620 599885731 /nfs/dbraw/zinc/88/57/31/599885731.db2.gz NHMAGLJKLGGFRI-UHFFFAOYSA-N -1 0 322.302 -0.042 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=S)NCCCN2CCOCC2)CCO1 ZINC000738552071 599891372 /nfs/dbraw/zinc/89/13/72/599891372.db2.gz WHAPUKPBSREDTR-NSHDSACASA-N -1 0 317.411 -0.631 20 0 DBADRM COc1ccccc1N1C[C@H](C(=O)N[C@H](CO)C(=O)[O-])CC1=O ZINC000738132371 599897053 /nfs/dbraw/zinc/89/70/53/599897053.db2.gz CWSIGBGHDRARRM-NXEZZACHSA-N -1 0 322.317 -0.390 20 0 DBADRM Cc1ccc(CN2C[C@@H](C(=O)N[C@H](CO)C(=O)[O-])CC2=O)cc1 ZINC000738594874 599897080 /nfs/dbraw/zinc/89/70/80/599897080.db2.gz VEXFQDDESPLCJZ-QWHCGFSZSA-N -1 0 320.345 -0.095 20 0 DBADRM CN(CC(=O)NCCSCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737395161 599903864 /nfs/dbraw/zinc/90/38/64/599903864.db2.gz UXXKJKRUAQIOIS-SECBINFHSA-N -1 0 324.424 -0.961 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCCN(c2cccnn2)CC1 ZINC000736209775 599914707 /nfs/dbraw/zinc/91/47/07/599914707.db2.gz VWVVARWGFHGWCT-NSHDSACASA-N -1 0 307.354 -0.422 20 0 DBADRM CCn1ccnc1CN1CCN([C@H](C)C(=O)NCC(=O)[O-])CC1 ZINC000737303904 599915695 /nfs/dbraw/zinc/91/56/95/599915695.db2.gz TXHNURYCUDBADH-GFCCVEGCSA-N -1 0 323.397 -0.390 20 0 DBADRM CCc1nnc2n1CCN(CC(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC000737287834 599918418 /nfs/dbraw/zinc/91/84/18/599918418.db2.gz LLRSKAHZUVMYLY-UHFFFAOYSA-N -1 0 321.381 -0.021 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(C[C@H](C)O)CC1)C(=O)[O-] ZINC000736886024 599921185 /nfs/dbraw/zinc/92/11/85/599921185.db2.gz OLXMZTVMSQFUIQ-SGMGOOAPSA-N -1 0 315.414 -0.400 20 0 DBADRM CCn1ccnc1CN1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000737303980 599921880 /nfs/dbraw/zinc/92/18/80/599921880.db2.gz VZDBNBPDJRUVDF-UHFFFAOYSA-N -1 0 309.370 -0.779 20 0 DBADRM Cc1ncc(CN2CCN(CC(=O)NCC(=O)[O-])CC2)s1 ZINC000738884899 599921886 /nfs/dbraw/zinc/92/18/86/599921886.db2.gz GWVHTXCDSAEPJZ-UHFFFAOYSA-N -1 0 312.395 -0.230 20 0 DBADRM CCn1ccnc1CN1CCCN(CC(=O)NCC(=O)[O-])CC1 ZINC000737303204 599922238 /nfs/dbraw/zinc/92/22/38/599922238.db2.gz TYSJUMVHLAYEAI-UHFFFAOYSA-N -1 0 323.397 -0.389 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN(C)C[C@H]1CN(C)CCO1)C(=O)[O-] ZINC000736880219 599923826 /nfs/dbraw/zinc/92/38/26/599923826.db2.gz UXUJXGBYKBITOC-OUCADQQQSA-N -1 0 315.414 -0.136 20 0 DBADRM C[C@H](NC(=O)CSc1nnnn1CC(F)(F)F)C(=O)[O-] ZINC000737682785 599928190 /nfs/dbraw/zinc/92/81/90/599928190.db2.gz DSLKTOQFRWTVPN-BYPYZUCNSA-N -1 0 313.261 -0.083 20 0 DBADRM Cc1ncc(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)s1 ZINC000822467022 607407579 /nfs/dbraw/zinc/40/75/79/607407579.db2.gz GRMLKWBDUYPAHO-UHFFFAOYSA-N -1 0 319.354 -0.418 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000739554396 599938151 /nfs/dbraw/zinc/93/81/51/599938151.db2.gz UVFUDTLSZWFBFJ-NEPJUHHUSA-N -1 0 308.338 -0.126 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(N3CCOCC3)nc2)CCO1 ZINC000738551388 599943809 /nfs/dbraw/zinc/94/38/09/599943809.db2.gz DEIWEWXCKLSYTQ-GFCCVEGCSA-N -1 0 321.333 -0.156 20 0 DBADRM Cc1nnc2ccc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])cn12 ZINC000738936269 599945788 /nfs/dbraw/zinc/94/57/88/599945788.db2.gz CXFWPTMJMRFPJJ-SSDOTTSWSA-N -1 0 306.278 -0.216 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CN2C(=O)COc3ccccc32)CCO1 ZINC000263025119 599948567 /nfs/dbraw/zinc/94/85/67/599948567.db2.gz TXBJOMBHFBTSNM-GFCCVEGCSA-N -1 0 320.301 -0.276 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1c2ccccc2C(=O)C1=O ZINC000737615600 599954831 /nfs/dbraw/zinc/95/48/31/599954831.db2.gz OFDJIRMILAGAFW-UHFFFAOYSA-N -1 0 306.274 -0.267 20 0 DBADRM O=C([O-])[C@H]1CN(Cn2nnn(-c3ccccc3)c2=O)CCO1 ZINC000738551881 599955779 /nfs/dbraw/zinc/95/57/79/599955779.db2.gz JUASDRRNAYZVQH-LLVKDONJSA-N -1 0 305.294 -0.828 20 0 DBADRM CC(C)CN1C(=O)C(=O)N(CN2CCO[C@H](C(=O)[O-])C2)C1=O ZINC000736432589 599956345 /nfs/dbraw/zinc/95/63/45/599956345.db2.gz PVIAGXWEIJVEAS-VIFPVBQESA-N -1 0 313.310 -0.824 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)CCn2cc[nH]c(=O)c2=O)n1 ZINC000738631064 599957542 /nfs/dbraw/zinc/95/75/42/599957542.db2.gz CAEALFNOOMKZDM-UHFFFAOYSA-N -1 0 324.318 -0.351 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCN(CCO)CC1)C(=O)[O-] ZINC000033450236 599960391 /nfs/dbraw/zinc/96/03/91/599960391.db2.gz BJWFJLZTWQGUKQ-DGCLKSJQSA-N -1 0 301.387 -0.788 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)CCSCC(=O)[O-])C1 ZINC000738157997 599964523 /nfs/dbraw/zinc/96/45/23/599964523.db2.gz NXDMTXTWFYUZMQ-VIFPVBQESA-N -1 0 324.424 -0.266 20 0 DBADRM O=C([O-])[C@H]1CN(CCc2nnnn2-c2ccccc2)CCO1 ZINC000738549094 599968187 /nfs/dbraw/zinc/96/81/87/599968187.db2.gz PVJKXUYWFIAGHO-GFCCVEGCSA-N -1 0 303.322 -0.010 20 0 DBADRM CC(C)CNC(=O)NC(=O)[C@H](C)N1CCO[C@H](C(=O)[O-])C1 ZINC000736440669 599971628 /nfs/dbraw/zinc/97/16/28/599971628.db2.gz UMZIUCBRNMZCMS-UWVGGRQHSA-N -1 0 301.343 -0.358 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1CC(=O)NCC1CCCCC1 ZINC000739636045 599982222 /nfs/dbraw/zinc/98/22/22/599982222.db2.gz YWPUSRCRWQBLJG-LBPRGKRZSA-N -1 0 311.382 -0.042 20 0 DBADRM Cc1cc(NC(=O)CCN2CCNC(=O)[C@H]2CC(=O)[O-])no1 ZINC000387058722 599983560 /nfs/dbraw/zinc/98/35/60/599983560.db2.gz KTCMJEBAJFPPTG-SECBINFHSA-N -1 0 310.310 -0.991 20 0 DBADRM CC(=O)Nc1nc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cs1 ZINC000071244864 599983799 /nfs/dbraw/zinc/98/37/99/599983799.db2.gz WNVZTVCVUXKWDT-SECBINFHSA-N -1 0 312.351 -0.123 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738375186 599984208 /nfs/dbraw/zinc/98/42/08/599984208.db2.gz HINBTRYUNKNLGS-SSDOTTSWSA-N -1 0 323.758 -0.144 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)CCO1 ZINC000320781369 599986405 /nfs/dbraw/zinc/98/64/05/599986405.db2.gz HXVBZNRCQBKRMA-JTQLQIEISA-N -1 0 319.273 -0.113 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CNC(=O)c2ccc(F)cc2)CCO1 ZINC000738487712 599991075 /nfs/dbraw/zinc/99/10/75/599991075.db2.gz WLCQKFYYYHKYLD-LLVKDONJSA-N -1 0 310.281 -0.133 20 0 DBADRM Nc1nc(N)nc(CN2C[C@H](C(=O)[O-])Oc3ccccc32)n1 ZINC000739203705 599992228 /nfs/dbraw/zinc/99/22/28/599992228.db2.gz REPUAEHFZQRNCB-SECBINFHSA-N -1 0 302.294 -0.112 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[S@@](=O)C(C)(C)CC1 ZINC000888324333 678400253 /nfs/dbraw/zinc/40/02/53/678400253.db2.gz VGDZTKGIECOQJN-HXUWFJFHSA-N -1 0 300.388 -0.120 20 0 DBADRM COCCN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@H](C)C(N)=O ZINC000737767643 599992983 /nfs/dbraw/zinc/99/29/83/599992983.db2.gz FRDBNPREIPFUPA-SNVBAGLBSA-N -1 0 315.370 -0.868 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N1CCC(C(=O)[O-])CC1 ZINC000738139909 600007057 /nfs/dbraw/zinc/00/70/57/600007057.db2.gz RWEPGTHINYZMHC-UHFFFAOYSA-N -1 0 309.413 -0.793 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(NC(N)=O)cc1 ZINC000737609007 600008318 /nfs/dbraw/zinc/00/83/18/600008318.db2.gz SIEUGFMTXDBKRZ-UHFFFAOYSA-N -1 0 309.278 -0.123 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CNC(=O)CC1CCCC1 ZINC000737604466 600008918 /nfs/dbraw/zinc/00/89/18/600008918.db2.gz FQMXSCMLADVGLP-UHFFFAOYSA-N -1 0 314.338 -0.231 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(C(=O)OC)nc1 ZINC000737608458 600009832 /nfs/dbraw/zinc/00/98/32/600009832.db2.gz GWIQECLFEWGDFM-UHFFFAOYSA-N -1 0 310.262 -0.432 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cnc2c(c1)c(C)nn2C ZINC000737613151 600010757 /nfs/dbraw/zinc/01/07/57/600010757.db2.gz NMEVLFKINYARRO-UHFFFAOYSA-N -1 0 320.305 -0.023 20 0 DBADRM COc1ccc(C(=O)[O-])c(NCC(=O)N2CCNC(=O)C2)c1 ZINC000737943778 600018412 /nfs/dbraw/zinc/01/84/12/600018412.db2.gz YZIZGMRBFRKJII-UHFFFAOYSA-N -1 0 307.306 -0.236 20 0 DBADRM C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)[O-])C1=O ZINC000736737769 600026027 /nfs/dbraw/zinc/02/60/27/600026027.db2.gz AUNQYINFAUZAPD-CYBMUJFWSA-N -1 0 316.277 -0.486 20 0 DBADRM CCC(C)(C)NC(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000736858833 600031277 /nfs/dbraw/zinc/03/12/77/600031277.db2.gz IEYJBYSXRACSOI-UHFFFAOYSA-N -1 0 321.337 -0.018 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CC(=O)c1ccc[nH]1)c2=O ZINC000739920509 600031531 /nfs/dbraw/zinc/03/15/31/600031531.db2.gz MKSSBUNKGLLHCR-UHFFFAOYSA-N -1 0 301.262 -0.111 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CCCN1CCOC1=O)c2=O ZINC000739921219 600033087 /nfs/dbraw/zinc/03/30/87/600033087.db2.gz UQWHYKRPDYWSPI-UHFFFAOYSA-N -1 0 321.293 -0.480 20 0 DBADRM CS(=O)(=O)NCCNC(=S)NC1CCC(C(=O)[O-])CC1 ZINC000738138311 600034012 /nfs/dbraw/zinc/03/40/12/600034012.db2.gz DVRYDUOPDASNNL-UHFFFAOYSA-N -1 0 323.440 -0.357 20 0 DBADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN1CCNC(=O)C1 ZINC000740306497 600047055 /nfs/dbraw/zinc/04/70/55/600047055.db2.gz GLEXRFNGBREGRS-CYBMUJFWSA-N -1 0 317.345 -0.544 20 0 DBADRM CCOc1ncccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000737222845 600055207 /nfs/dbraw/zinc/05/52/07/600055207.db2.gz WSSWQAPGAJLMMY-SNVBAGLBSA-N -1 0 323.305 -0.269 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000740306965 600071242 /nfs/dbraw/zinc/07/12/42/600071242.db2.gz KGOWEWUNYGDLNK-VHSXEESVSA-N -1 0 304.306 -0.323 20 0 DBADRM CCCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000737025335 600071537 /nfs/dbraw/zinc/07/15/37/600071537.db2.gz UFSOXVKLKSGZLE-NWDGAFQWSA-N -1 0 311.382 -0.186 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)c1ccc(C(=O)[O-])nc1 ZINC000233526315 600071981 /nfs/dbraw/zinc/07/19/81/600071981.db2.gz XWRVTGYNIDNEQC-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000262195702 600079144 /nfs/dbraw/zinc/07/91/44/600079144.db2.gz UALAZWYBDIMNRR-UWVGGRQHSA-N -1 0 304.368 -0.505 20 0 DBADRM O=C([O-])c1ccc2c(c1)CN(CC(=O)N1CCNC(=O)C1)C2 ZINC000740305968 600086244 /nfs/dbraw/zinc/08/62/44/600086244.db2.gz OYVAFIDZGWJXLR-UHFFFAOYSA-N -1 0 303.318 -0.341 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000736839447 600105887 /nfs/dbraw/zinc/10/58/87/600105887.db2.gz DTGBJXQUYSVPPP-ZETCQYMHSA-N -1 0 304.324 -0.958 20 0 DBADRM CCCC(=O)N1CSC[C@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000736950835 600106700 /nfs/dbraw/zinc/10/67/00/600106700.db2.gz FVMPSLLTOYYFTG-QMMMGPOBSA-N -1 0 318.351 -0.568 20 0 DBADRM O=Cc1ccc(OCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000740318415 600109821 /nfs/dbraw/zinc/10/98/21/600109821.db2.gz JFVLASBYEKYTAI-GFCCVEGCSA-N -1 0 320.301 -0.320 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000037834997 600110498 /nfs/dbraw/zinc/11/04/98/600110498.db2.gz DYELFWJISADYLJ-UWVGGRQHSA-N -1 0 304.368 -0.363 20 0 DBADRM COc1cc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])ccc1OCC(N)=O ZINC000737880496 600112149 /nfs/dbraw/zinc/11/21/49/600112149.db2.gz DVVDCNMZLSKIIN-ZJUUUORDSA-N -1 0 322.317 -0.104 20 0 DBADRM COc1cc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])ccc1OCC(N)=O ZINC000737880492 600112209 /nfs/dbraw/zinc/11/22/09/600112209.db2.gz DVVDCNMZLSKIIN-VHSXEESVSA-N -1 0 322.317 -0.104 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000739547528 600113132 /nfs/dbraw/zinc/11/31/32/600113132.db2.gz KARTYPJCDDOYFZ-NEPJUHHUSA-N -1 0 319.365 -0.565 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000739545177 600115722 /nfs/dbraw/zinc/11/57/22/600115722.db2.gz QTKQOCXCLKGGHH-GARJFASQSA-N -1 0 316.379 -0.962 20 0 DBADRM CC(=O)CN1C(C(=O)[O-])=NC2=NS(=O)(=O)c3ccccc3N21 ZINC000736123064 600116251 /nfs/dbraw/zinc/11/62/51/600116251.db2.gz CAYQJVNXJVQWRJ-UHFFFAOYSA-N -1 0 322.302 -0.146 20 0 DBADRM Cc1cc(NC(=O)Cn2ccc(=O)n(C)c2=O)c(C(=O)[O-])[nH]1 ZINC000317810769 600125488 /nfs/dbraw/zinc/12/54/88/600125488.db2.gz XVFMJYDEHCWTKE-UHFFFAOYSA-N -1 0 306.278 -0.480 20 0 DBADRM CS(=O)(=O)NCCN1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000738164741 600127153 /nfs/dbraw/zinc/12/71/53/600127153.db2.gz DVHVGDMQCSECFJ-LLVKDONJSA-N -1 0 300.336 -0.112 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CCNS(=O)(=O)c1ccccc1 ZINC000740056429 600139364 /nfs/dbraw/zinc/13/93/64/600139364.db2.gz CEJYIMDZPYTROX-PWSUYJOCSA-N -1 0 314.363 -0.515 20 0 DBADRM CN(CC(=O)OCC(=O)c1cc(C(=O)[O-])co1)S(C)(=O)=O ZINC000737406797 600139356 /nfs/dbraw/zinc/13/93/56/600139356.db2.gz PNVVUKAZFWBLEG-UHFFFAOYSA-N -1 0 319.291 -0.405 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NC(=O)NC1CCCCC1 ZINC000318746880 600140087 /nfs/dbraw/zinc/14/00/87/600140087.db2.gz JANQKASVSPAQDO-MNOVXSKESA-N -1 0 313.354 -0.335 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000737642858 600140379 /nfs/dbraw/zinc/14/03/79/600140379.db2.gz QJLGJZNWFVRFKD-SKDRFNHKSA-N -1 0 322.317 -0.069 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)CC(=O)NCC1CCC1 ZINC000739792155 600146545 /nfs/dbraw/zinc/14/65/45/600146545.db2.gz UACVGRJLFZYNCD-UHFFFAOYSA-N -1 0 313.398 -0.379 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC000736147502 600167017 /nfs/dbraw/zinc/16/70/17/600167017.db2.gz BJOPNTJNKMXZDC-VWYCJHECSA-N -1 0 312.322 -0.623 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000736133587 600169876 /nfs/dbraw/zinc/16/98/76/600169876.db2.gz AEKXUUNPCVOJKJ-JMJZKYOTSA-N -1 0 312.322 -0.671 20 0 DBADRM COCc1nc(C(=O)N(CC(=O)[O-])CC(=O)OC)cs1 ZINC000737834499 600170509 /nfs/dbraw/zinc/17/05/09/600170509.db2.gz COIZWXUWKNXOHV-UHFFFAOYSA-N -1 0 302.308 -0.011 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000737604955 600170672 /nfs/dbraw/zinc/17/06/72/600170672.db2.gz LWVGRSICMJATNS-QMMMGPOBSA-N -1 0 312.278 -0.516 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CNC(=O)CC(C)(C)C ZINC000737605446 600170677 /nfs/dbraw/zinc/17/06/77/600170677.db2.gz MCYDLBTWOAPXJI-UHFFFAOYSA-N -1 0 302.327 -0.375 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(N)=O ZINC000231035040 600170836 /nfs/dbraw/zinc/17/08/36/600170836.db2.gz IVRJSUBJEHTZJV-SECBINFHSA-N -1 0 307.372 -0.873 20 0 DBADRM C[C@H](OC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)Nc1ncnc2[nH]cnc21 ZINC000736682697 600170831 /nfs/dbraw/zinc/17/08/31/600170831.db2.gz GLPIBYWCYOOEDA-RRKCRQDMSA-N -1 0 319.277 -0.056 20 0 DBADRM Cc1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])n(C)n1 ZINC000738328165 600172160 /nfs/dbraw/zinc/17/21/60/600172160.db2.gz YLWQDCQSFXMIRI-UHFFFAOYSA-N -1 0 310.354 -0.412 20 0 DBADRM O=C([O-])CCc1nc(Cn2nnn(-c3ccccc3)c2=O)no1 ZINC000739773153 600185982 /nfs/dbraw/zinc/18/59/82/600185982.db2.gz UKLTWVAIRCOCNH-UHFFFAOYSA-N -1 0 316.277 -0.123 20 0 DBADRM C[C@@H](CC(=O)[O-])S(=O)(=O)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000736812022 600194665 /nfs/dbraw/zinc/19/46/65/600194665.db2.gz PSSMATFDONBKHD-BBBLOLIVSA-N -1 0 307.368 -0.100 20 0 DBADRM C[C@@H](CS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-] ZINC000699097049 600197615 /nfs/dbraw/zinc/19/76/15/600197615.db2.gz MTCSFOWYLRZRQD-QMMMGPOBSA-N -1 0 301.386 -0.597 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000740304628 600197757 /nfs/dbraw/zinc/19/77/57/600197757.db2.gz VQHYDAXYSFTGJZ-JTQLQIEISA-N -1 0 311.319 -0.068 20 0 DBADRM C[C@H](CS(=O)(=O)CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000736812049 600198219 /nfs/dbraw/zinc/19/82/19/600198219.db2.gz PXMLKQIZGIEHOX-BBBLOLIVSA-N -1 0 307.368 -0.242 20 0 DBADRM COCCn1nc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)ccc1=O ZINC000386560643 600200465 /nfs/dbraw/zinc/20/04/65/600200465.db2.gz NVCPZWBERSRQEG-AWEZNQCLSA-N -1 0 309.322 -0.127 20 0 DBADRM O=C([O-])NCCC(=O)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000739948821 600201831 /nfs/dbraw/zinc/20/18/31/600201831.db2.gz OLQDXJREKPKMJE-UHFFFAOYSA-N -1 0 316.310 -0.447 20 0 DBADRM C[C@@H](OC(=O)CCNC(=O)[O-])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000736685899 600203538 /nfs/dbraw/zinc/20/35/38/600203538.db2.gz DZPIIRABYVDXCZ-BDAKNGLRSA-N -1 0 315.326 -0.700 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000737642842 600230826 /nfs/dbraw/zinc/23/08/26/600230826.db2.gz QFBUYXLHRIPXNZ-MXWKQRLJSA-N -1 0 316.354 -0.790 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(N2CCCC2)nn1 ZINC000737568158 600241939 /nfs/dbraw/zinc/24/19/39/600241939.db2.gz UVJSJDRJMGZZRA-JTQLQIEISA-N -1 0 322.321 -0.177 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H]1CSCN1C(C)=O ZINC000737567498 600244823 /nfs/dbraw/zinc/24/48/23/600244823.db2.gz QHGJUJWEZZTHKL-HTQZYQBOSA-N -1 0 304.324 -0.960 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(C(N)=O)s1 ZINC000737569172 600245992 /nfs/dbraw/zinc/24/59/92/600245992.db2.gz YRAPKLSKCMDRNE-YFKPBYRVSA-N -1 0 300.292 -0.407 20 0 DBADRM CC(C)CCC(=O)NCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000736429157 600247618 /nfs/dbraw/zinc/24/76/18/600247618.db2.gz RROPTVKPRAKIOV-JTQLQIEISA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000736432814 600249662 /nfs/dbraw/zinc/24/96/62/600249662.db2.gz PLJLKPBCWZYJMW-UHFFFAOYSA-N -1 0 311.338 -0.343 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CCCCN2CCOCC2)CCO1 ZINC000738547670 600251466 /nfs/dbraw/zinc/25/14/66/600251466.db2.gz PVLWPQBRWQXADV-LBPRGKRZSA-N -1 0 300.355 -0.199 20 0 DBADRM Cc1cc(NC(=O)c2cn(C)c(=O)n(C)c2=O)c(C(=O)[O-])[nH]1 ZINC000738453221 600251683 /nfs/dbraw/zinc/25/16/83/600251683.db2.gz GLKSGLQSCWTGIP-UHFFFAOYSA-N -1 0 306.278 -0.329 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(OC)cc1 ZINC000737568204 600254819 /nfs/dbraw/zinc/25/48/19/600254819.db2.gz VFTFAXBBWGEGEU-JTQLQIEISA-N -1 0 324.289 -0.234 20 0 DBADRM C[S@](=O)CCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000158376255 600259589 /nfs/dbraw/zinc/25/95/89/600259589.db2.gz JCGQVIRWKATOTQ-GOSISDBHSA-N -1 0 306.365 -0.177 20 0 DBADRM CCc1nc(CN2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)no1 ZINC000737278511 600260988 /nfs/dbraw/zinc/26/09/88/600260988.db2.gz BOAUHZIXERGBJT-NXEZZACHSA-N -1 0 308.338 -0.003 20 0 DBADRM C[C@@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])n1cccn1 ZINC000736199344 600262489 /nfs/dbraw/zinc/26/24/89/600262489.db2.gz IQMNKSVBOQPMAK-LBPRGKRZSA-N -1 0 310.354 -0.311 20 0 DBADRM CC[S@](=O)CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000132138347 600262639 /nfs/dbraw/zinc/26/26/39/600262639.db2.gz VNXHFIJERIUCTA-GOSISDBHSA-N -1 0 312.413 -0.614 20 0 DBADRM O=C([O-])CCSCCNC(=O)CCC(=O)N1CCOCC1 ZINC000739741225 600262980 /nfs/dbraw/zinc/26/29/80/600262980.db2.gz AKZBBUDBERXMPJ-UHFFFAOYSA-N -1 0 318.395 -0.051 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(C(=O)CN1CCCS1(=O)=O)CC2 ZINC000262092968 600263333 /nfs/dbraw/zinc/26/33/33/600263333.db2.gz IFIWSDFKVFMKCC-JTQLQIEISA-N -1 0 316.379 -0.265 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1csnn1 ZINC000739790293 600263447 /nfs/dbraw/zinc/26/34/47/600263447.db2.gz GOWJBTBKAWFXDT-UHFFFAOYSA-N -1 0 300.340 -0.603 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)COCC1CC1 ZINC000739786416 600264352 /nfs/dbraw/zinc/26/43/52/600264352.db2.gz XGBSHGBTDATQEX-UHFFFAOYSA-N -1 0 300.355 -0.342 20 0 DBADRM CS(=O)(=O)NCCC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738165113 600268355 /nfs/dbraw/zinc/26/83/55/600268355.db2.gz MCQCONIIGDPEIY-VIFPVBQESA-N -1 0 304.368 -0.361 20 0 DBADRM CS(=O)(=O)NCCC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738165112 600268376 /nfs/dbraw/zinc/26/83/76/600268376.db2.gz MCQCONIIGDPEIY-SECBINFHSA-N -1 0 304.368 -0.361 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1=O ZINC000262383942 600270975 /nfs/dbraw/zinc/27/09/75/600270975.db2.gz PKBHAQCDUPAKDS-JTQLQIEISA-N -1 0 321.333 -0.740 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(C(=O)Cn1ccc(=O)[nH]c1=O)CC2 ZINC000405329722 600274017 /nfs/dbraw/zinc/27/40/17/600274017.db2.gz YZECCLVVIDXBAV-SECBINFHSA-N -1 0 307.306 -0.338 20 0 DBADRM CCNC(=O)N1CCN(CCC(=O)N(C)CC(=O)[O-])CC1 ZINC000737121010 600286272 /nfs/dbraw/zinc/28/62/72/600286272.db2.gz BVASCXVOPNPANP-UHFFFAOYSA-N -1 0 300.359 -0.733 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000739552223 600289103 /nfs/dbraw/zinc/28/91/03/600289103.db2.gz HZNMOTGBWVEMHY-VHSXEESVSA-N -1 0 322.321 -0.599 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000739552487 600289223 /nfs/dbraw/zinc/28/92/23/600289223.db2.gz HZNMOTGBWVEMHY-ZJUUUORDSA-N -1 0 322.321 -0.599 20 0 DBADRM Cc1nc([C@H]2CN(CCC(=O)N(C)CC(=O)[O-])CCO2)no1 ZINC000738850305 600295876 /nfs/dbraw/zinc/29/58/76/600295876.db2.gz PGTGOGVVYAENAE-SNVBAGLBSA-N -1 0 312.326 -0.316 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736153082 600297173 /nfs/dbraw/zinc/29/71/73/600297173.db2.gz VSVQLCGOTAWHOX-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM COC(=O)CN(CC(=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737613491 600297646 /nfs/dbraw/zinc/29/76/46/600297646.db2.gz PEHNTBHLSYLZBI-ZETCQYMHSA-N -1 0 312.244 -0.291 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCS(=O)CC1 ZINC000736206843 600299693 /nfs/dbraw/zinc/29/96/93/600299693.db2.gz YOLHHXSEUPNFRC-JTQLQIEISA-N -1 0 302.396 -0.238 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1=O ZINC000737300770 600310015 /nfs/dbraw/zinc/31/00/15/600310015.db2.gz DSUAJWHEHWBDJR-VIFPVBQESA-N -1 0 307.306 -0.260 20 0 DBADRM CC(C)(C)NC(=O)CN(CCN1CCOCC1)CC(=O)[O-] ZINC000736261234 600315461 /nfs/dbraw/zinc/31/54/61/600315461.db2.gz PTJLCDRZRXTVPC-UHFFFAOYSA-N -1 0 301.387 -0.380 20 0 DBADRM CCN(CCCC(=O)[O-])CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000737100990 600316610 /nfs/dbraw/zinc/31/66/10/600316610.db2.gz RIPRSNYPSLGUOA-JTQLQIEISA-N -1 0 306.384 -0.524 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000738588918 600332895 /nfs/dbraw/zinc/33/28/95/600332895.db2.gz TZCOPQGOJJVVFN-UHFFFAOYSA-N -1 0 303.278 -0.203 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCC(=O)[O-])cccc1-n1cnnn1 ZINC000738202301 600333233 /nfs/dbraw/zinc/33/32/33/600333233.db2.gz OCKATHWTPVSKBP-UHFFFAOYSA-N -1 0 318.293 -0.500 20 0 DBADRM NC(=O)Cc1ccc(NC(=O)C(=O)NCCCC(=O)[O-])cc1 ZINC000739161837 600337661 /nfs/dbraw/zinc/33/76/61/600337661.db2.gz WTWUZHDZNRHGTL-UHFFFAOYSA-N -1 0 307.306 -0.366 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)C(=O)NCCCC(=O)[O-])cc1 ZINC000737541320 600338430 /nfs/dbraw/zinc/33/84/30/600338430.db2.gz XZVQYWHLVHCYDS-UHFFFAOYSA-N -1 0 321.333 -0.105 20 0 DBADRM COC(=O)CCCN(C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000070544186 600339795 /nfs/dbraw/zinc/33/97/95/600339795.db2.gz ZSDXJUDBCFHRPX-UHFFFAOYSA-N -1 0 319.339 -0.010 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC000037730473 600340685 /nfs/dbraw/zinc/34/06/85/600340685.db2.gz VAFQDAYDENVXAK-UHFFFAOYSA-N -1 0 302.356 -0.501 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737121442 600360481 /nfs/dbraw/zinc/36/04/81/600360481.db2.gz LNZINTUNYCJFIF-UHFFFAOYSA-N -1 0 322.321 -0.355 20 0 DBADRM C[C@H](OC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)NCC(=O)[O-] ZINC000736689353 600367210 /nfs/dbraw/zinc/36/72/10/600367210.db2.gz JXYJPSJMQXAZJS-LURJTMIESA-N -1 0 320.257 -0.684 20 0 DBADRM CN(C(=O)COC(=O)[C@H]1CNC(=O)N1)c1ccccc1C(=O)[O-] ZINC000737322988 600369186 /nfs/dbraw/zinc/36/91/86/600369186.db2.gz UJMCUJCRWZKBPB-SECBINFHSA-N -1 0 321.289 -0.428 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCCN(C(N)=O)CC1)C(=O)[O-] ZINC000736877660 600373552 /nfs/dbraw/zinc/37/35/52/600373552.db2.gz KIDWQCDGTHTMCZ-ZYHUDNBSSA-N -1 0 314.386 -0.312 20 0 DBADRM NC(=O)[C@@H](NS(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000738438587 600401660 /nfs/dbraw/zinc/40/16/60/600401660.db2.gz ZFZVKRMCKRUEDM-NSHDSACASA-N -1 0 300.336 -0.003 20 0 DBADRM Cc1cnn(CCNS(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000235950043 600414146 /nfs/dbraw/zinc/41/41/46/600414146.db2.gz WKNTZTONGOGYOX-UHFFFAOYSA-N -1 0 316.383 -0.177 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2CCn3cnnc3C2)c1 ZINC000739480938 600421214 /nfs/dbraw/zinc/42/12/14/600421214.db2.gz WQTQHRHGPRMZNN-UHFFFAOYSA-N -1 0 315.289 -0.043 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCS(=O)(=O)[C@H](C)C1)C(=O)[O-] ZINC000736414550 600433552 /nfs/dbraw/zinc/43/35/52/600433552.db2.gz ZAAQNRUWPVMHMQ-GHMZBOCLSA-N -1 0 320.411 -0.279 20 0 DBADRM COCCN(CCO)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000737800671 600437176 /nfs/dbraw/zinc/43/71/76/600437176.db2.gz ZSZSMVLGDNLKLK-UHFFFAOYSA-N -1 0 302.371 -0.169 20 0 DBADRM O=C([O-])CCCCNC(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000739667664 600466127 /nfs/dbraw/zinc/46/61/27/600466127.db2.gz PBMSOSMYLHIQMY-NSHDSACASA-N -1 0 311.342 -0.057 20 0 DBADRM CNC(=O)[C@@H](NC(=O)Cn1cnc(C(=O)[O-])n1)c1ccccc1 ZINC000737535900 600473744 /nfs/dbraw/zinc/47/37/44/600473744.db2.gz RMKFEEFRMWJDQS-NSHDSACASA-N -1 0 317.305 -0.420 20 0 DBADRM O=C([O-])C[C@H]1NC(=O)N([C@H]2CCN(CC(F)(F)F)C2=O)C1=O ZINC000739656699 600474062 /nfs/dbraw/zinc/47/40/62/600474062.db2.gz FNNFVKYXLLFBGS-RITPCOANSA-N -1 0 323.227 -0.455 20 0 DBADRM O=C([O-])c1ncn(CC(=O)N2CC(=O)Nc3ccccc32)n1 ZINC000740306272 600475875 /nfs/dbraw/zinc/47/58/75/600475875.db2.gz VYDJXTGUBNSYDT-UHFFFAOYSA-N -1 0 301.262 -0.038 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)NCc2ccc(C(=O)[O-])o2)C1=O ZINC000737505590 600476848 /nfs/dbraw/zinc/47/68/48/600476848.db2.gz ADNDGZGBCZAGGM-UHFFFAOYSA-N -1 0 309.234 -0.985 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCCC(=O)N1CCOCC1 ZINC000123712223 600491889 /nfs/dbraw/zinc/49/18/89/600491889.db2.gz BJRAJUMYTMITPW-UHFFFAOYSA-N -1 0 308.356 -0.981 20 0 DBADRM CN(C)C(=O)N1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000037838037 600492350 /nfs/dbraw/zinc/49/23/50/600492350.db2.gz WYXLVRBVYPFSEW-UHFFFAOYSA-N -1 0 307.372 -0.520 20 0 DBADRM COCC(=O)NC1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000037837411 600493402 /nfs/dbraw/zinc/49/34/02/600493402.db2.gz XWCJECQZFPCRNO-UHFFFAOYSA-N -1 0 322.383 -0.592 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCCNC(=O)c1cccnc1 ZINC000738583340 600493779 /nfs/dbraw/zinc/49/37/79/600493779.db2.gz YJHUMCHSMANWJR-UHFFFAOYSA-N -1 0 315.351 -0.404 20 0 DBADRM C[C@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])n1cncn1 ZINC000736198501 600494079 /nfs/dbraw/zinc/49/40/79/600494079.db2.gz AHDUQBLYVOJXQA-LLVKDONJSA-N -1 0 311.342 -0.916 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000738585232 600495337 /nfs/dbraw/zinc/49/53/37/600495337.db2.gz PWPHIHSNEKTPAZ-SNVBAGLBSA-N -1 0 319.383 -0.329 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC000738585230 600495401 /nfs/dbraw/zinc/49/54/01/600495401.db2.gz PWPHIHSNEKTPAZ-JTQLQIEISA-N -1 0 319.383 -0.329 20 0 DBADRM CC(=O)NC[C@@H]1CN(S(=O)(=O)CCCC(=O)[O-])CCO1 ZINC000736146865 600500433 /nfs/dbraw/zinc/50/04/33/600500433.db2.gz DCORUQJXZOLSSL-SNVBAGLBSA-N -1 0 308.356 -0.982 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)Cn1cccnc1=O ZINC000739717459 600501923 /nfs/dbraw/zinc/50/19/23/600501923.db2.gz UEXNZDWABLTPKF-LLVKDONJSA-N -1 0 309.322 -0.274 20 0 DBADRM CN1CC[C@H](NC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)C1=O ZINC000737515526 600509848 /nfs/dbraw/zinc/50/98/48/600509848.db2.gz XHXMSTHIEZKTKL-NSHDSACASA-N -1 0 319.317 -0.401 20 0 DBADRM O=C([O-])c1ccc(=O)n(CCn2nc3ccccn3c2=O)n1 ZINC000740112236 600519451 /nfs/dbraw/zinc/51/94/51/600519451.db2.gz SMSOFNGVTRNINN-UHFFFAOYSA-N -1 0 301.262 -0.549 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c2=O ZINC000739058370 600535092 /nfs/dbraw/zinc/53/50/92/600535092.db2.gz AFKHYNLEZCANFR-SNVBAGLBSA-N -1 0 321.337 -0.255 20 0 DBADRM COC(=O)Cc1nc(NC(=O)CCSCC(=O)[O-])n[nH]1 ZINC000737631876 600535311 /nfs/dbraw/zinc/53/53/11/600535311.db2.gz WBOBFDHEILFVAJ-UHFFFAOYSA-N -1 0 302.312 -0.333 20 0 DBADRM C[C@H](O)CCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736674917 600550218 /nfs/dbraw/zinc/55/02/18/600550218.db2.gz HZDNCRVEQRTUDK-VIFPVBQESA-N -1 0 310.306 -0.024 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)[O-])ccc2F)C1=O ZINC000737506639 600552562 /nfs/dbraw/zinc/55/25/62/600552562.db2.gz SVPQGFCXOVMFAD-UHFFFAOYSA-N -1 0 323.236 -0.117 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c(=O)n(C)c1=O ZINC000739027566 600553312 /nfs/dbraw/zinc/55/33/12/600553312.db2.gz PXSKIHVFAFNGTL-XUIVZRPNSA-N -1 0 323.349 -0.287 20 0 DBADRM CCS(=O)(=O)CCNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000737221397 600571069 /nfs/dbraw/zinc/57/10/69/600571069.db2.gz YZWRCSHEOJKJAU-UHFFFAOYSA-N -1 0 304.328 -0.476 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCn2c(nnc2C(F)(F)F)C1 ZINC000736208351 600575279 /nfs/dbraw/zinc/57/52/79/600575279.db2.gz MUCFBEOEWFFWAX-LURJTMIESA-N -1 0 321.259 -0.298 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)CS(=O)(=O)C2CCCC2)n[nH]1 ZINC000739899707 600579489 /nfs/dbraw/zinc/57/94/89/600579489.db2.gz DZIYXQFOLAIWPU-UHFFFAOYSA-N -1 0 316.339 -0.272 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)CCC(=O)N(C)CC(=O)[O-] ZINC000737221697 600614821 /nfs/dbraw/zinc/61/48/21/600614821.db2.gz DJVQEVUUUBOPHW-SNVBAGLBSA-N -1 0 308.400 -0.326 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccc(-n2cncn2)c1 ZINC000737609036 600616644 /nfs/dbraw/zinc/61/66/44/600616644.db2.gz UGLTXUJNLZRRKS-UHFFFAOYSA-N -1 0 318.289 -0.033 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c1C ZINC000738249487 600618381 /nfs/dbraw/zinc/61/83/81/600618381.db2.gz VOMOUCNKXPELGF-UHFFFAOYSA-N -1 0 310.354 -0.114 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)Cc1nc2ncccn2n1 ZINC000737791010 600622764 /nfs/dbraw/zinc/62/27/64/600622764.db2.gz YJLXSPNCKKEGRZ-UHFFFAOYSA-N -1 0 307.310 -0.384 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCS(=O)(=O)C[C@H]1C)C(=O)[O-] ZINC000736888545 600623021 /nfs/dbraw/zinc/62/30/21/600623021.db2.gz UXXYNFGEUKZYLY-HOSYDEDBSA-N -1 0 320.411 -0.279 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)COc1cccc(C=O)c1 ZINC000737605946 600631142 /nfs/dbraw/zinc/63/11/42/600631142.db2.gz STHAXOGYDBUAIO-UHFFFAOYSA-N -1 0 309.274 -0.036 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000737788117 600633261 /nfs/dbraw/zinc/63/32/61/600633261.db2.gz YQCSXWNXYSXVPD-SNVBAGLBSA-N -1 0 301.343 -0.273 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)CCSCC(=O)[O-])C1 ZINC000737553035 600635554 /nfs/dbraw/zinc/63/55/54/600635554.db2.gz QTFMDDUHMYANJQ-SECBINFHSA-N -1 0 324.424 -0.266 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(Cc2nccn2C)CC1 ZINC000736210677 600639579 /nfs/dbraw/zinc/63/95/79/600639579.db2.gz ZGLMJXOJQKPCBW-LLVKDONJSA-N -1 0 309.370 -0.873 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)CN1CC(=O)NC1=O ZINC000739717194 600641731 /nfs/dbraw/zinc/64/17/31/600641731.db2.gz QDINXRWJGCINFY-VIFPVBQESA-N -1 0 313.310 -0.980 20 0 DBADRM Cn1cnnc1CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000038007792 600646892 /nfs/dbraw/zinc/64/68/92/600646892.db2.gz IIRTVKAFIIZFIA-UHFFFAOYSA-N -1 0 310.335 -0.079 20 0 DBADRM COC(=O)c1ccc(NC(=O)NC(CO)CO)cc1C(=O)[O-] ZINC000831410347 600657472 /nfs/dbraw/zinc/65/74/72/600657472.db2.gz ILPJBNWQOZXBRK-UHFFFAOYSA-N -1 0 312.278 -0.354 20 0 DBADRM Cn1cnn(CN(CCN2CCOCC2)CC(=O)[O-])c1=S ZINC000739059005 600671189 /nfs/dbraw/zinc/67/11/89/600671189.db2.gz WIHMFLJQUMGVIB-UHFFFAOYSA-N -1 0 315.399 -0.373 20 0 DBADRM Cn1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1=O ZINC000833055076 600682738 /nfs/dbraw/zinc/68/27/38/600682738.db2.gz AZYHPBOZVAQDMQ-UHFFFAOYSA-N -1 0 312.307 -0.533 20 0 DBADRM O=C([O-])[C@H]1CCCN([C@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000738538633 600685029 /nfs/dbraw/zinc/68/50/29/600685029.db2.gz VUXVLJMSOKEXDG-UWVGGRQHSA-N -1 0 304.306 -0.095 20 0 DBADRM Cc1c(C(=O)OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])nnn1C ZINC000832853705 600689196 /nfs/dbraw/zinc/68/91/96/600689196.db2.gz LVMROWGXLLAJII-VIFPVBQESA-N -1 0 312.326 -0.104 20 0 DBADRM NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037507507 600690834 /nfs/dbraw/zinc/69/08/34/600690834.db2.gz MVXUNSZNYKPOPM-VIFPVBQESA-N -1 0 301.324 -0.259 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000739634396 600695709 /nfs/dbraw/zinc/69/57/09/600695709.db2.gz NELSVUUYBWWVKE-PWSUYJOCSA-N -1 0 322.292 -0.069 20 0 DBADRM COC[C@](C)(O)C(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000831637756 600702114 /nfs/dbraw/zinc/70/21/14/600702114.db2.gz LIMNBXZMDSBVBV-XPTSAGLGSA-N -1 0 317.338 -0.361 20 0 DBADRM COC(=O)CCCN(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000037837308 600709565 /nfs/dbraw/zinc/70/95/65/600709565.db2.gz YIKQPYLJQSYIOO-UHFFFAOYSA-N -1 0 319.339 -0.459 20 0 DBADRM COC(=O)[C@H](C)CN(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000037838614 600709865 /nfs/dbraw/zinc/70/98/65/600709865.db2.gz IZJPCVBCHUISKF-MRVPVSSYSA-N -1 0 319.339 -0.603 20 0 DBADRM C[C@@H](OC(=O)c1cn(CC(N)=O)nn1)c1ccc(C(=O)[O-])o1 ZINC000827867456 600712484 /nfs/dbraw/zinc/71/24/84/600712484.db2.gz OKVUWJWPBWFKJI-ZCFIWIBFSA-N -1 0 308.250 -0.027 20 0 DBADRM NC(=O)Cn1cc(C(=O)OCc2ccc(F)cc2C(=O)[O-])nn1 ZINC000833083454 600712968 /nfs/dbraw/zinc/71/29/68/600712968.db2.gz AEJOKXORVFKSBL-UHFFFAOYSA-N -1 0 322.252 -0.042 20 0 DBADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000095017696 600716470 /nfs/dbraw/zinc/71/64/70/600716470.db2.gz KDLYKINQBUCUPU-ZETCQYMHSA-N -1 0 302.308 -0.104 20 0 DBADRM CN1CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1=O ZINC000084199562 600723969 /nfs/dbraw/zinc/72/39/69/600723969.db2.gz AQRLUDRECZOOSF-UHFFFAOYSA-N -1 0 312.347 -0.011 20 0 DBADRM COC(=O)Cn1ncc2c1ncn(C/C=C(/C)C(=O)[O-])c2=O ZINC000831192574 600728841 /nfs/dbraw/zinc/72/88/41/600728841.db2.gz OOOGVXQYQCZWMA-BAQGIRSFSA-N -1 0 306.278 -0.203 20 0 DBADRM CN1CCO[C@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000091666633 600729220 /nfs/dbraw/zinc/72/92/20/600729220.db2.gz QUTMENRQJCDBKE-MRVPVSSYSA-N -1 0 303.340 -0.678 20 0 DBADRM Cc1noc([C@H](C)NS(=O)(=O)c2cnn(CC(=O)[O-])c2)n1 ZINC000833020587 600732565 /nfs/dbraw/zinc/73/25/65/600732565.db2.gz JAGANIAKXVEYDI-LURJTMIESA-N -1 0 315.311 -0.301 20 0 DBADRM C[C@H](CN(C1CC1)S(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000827448739 600734641 /nfs/dbraw/zinc/73/46/41/600734641.db2.gz CXJJYALPKQCMNA-MRVPVSSYSA-N -1 0 313.397 -0.454 20 0 DBADRM CCN1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000307817981 600739823 /nfs/dbraw/zinc/73/98/23/600739823.db2.gz MGZWUODAFKNJDX-UHFFFAOYSA-N -1 0 316.383 -0.316 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCn3ccnc3C2)cn1 ZINC000062251792 600754569 /nfs/dbraw/zinc/75/45/69/600754569.db2.gz UKTKPJJOQOKBDT-UHFFFAOYSA-N -1 0 311.323 -0.631 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)[C@H]1CCOC1 ZINC000166011632 600769850 /nfs/dbraw/zinc/76/98/50/600769850.db2.gz DKAJNFAQACVZBA-BDAKNGLRSA-N -1 0 303.340 -0.329 20 0 DBADRM C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000828149655 600787239 /nfs/dbraw/zinc/78/72/39/600787239.db2.gz LWMPKBNAEKFGEI-MRVPVSSYSA-N -1 0 315.351 -0.378 20 0 DBADRM CC(C)(CC(=O)[O-])NC(=O)CSCC(=O)N1CCOCC1 ZINC000084144796 600788443 /nfs/dbraw/zinc/78/84/43/600788443.db2.gz DGZPGXKJAMNKLV-UHFFFAOYSA-N -1 0 318.395 -0.052 20 0 DBADRM CCOC(=O)[C@H]1CN(CCC(=O)N(C)CC(=O)[O-])CCO1 ZINC000737136899 600795010 /nfs/dbraw/zinc/79/50/10/600795010.db2.gz ZVMBGPLSTOFNOZ-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM CCc1nncn1CCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000761314159 600795412 /nfs/dbraw/zinc/79/54/12/600795412.db2.gz SBYMYMUDGGHYLB-UHFFFAOYSA-N -1 0 313.339 -0.155 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC000826127066 600832111 /nfs/dbraw/zinc/83/21/11/600832111.db2.gz MLZMDSJZSRCJLI-UHFFFAOYSA-N -1 0 320.349 -0.199 20 0 DBADRM NC(=O)Cn1cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)nn1 ZINC000833083310 600854171 /nfs/dbraw/zinc/85/41/71/600854171.db2.gz SAXYUCBDJIERRN-UHFFFAOYSA-N -1 0 303.278 -0.357 20 0 DBADRM COCCNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000831744511 600863018 /nfs/dbraw/zinc/86/30/18/600863018.db2.gz JPGVBETVQNEQAX-UHFFFAOYSA-N -1 0 324.289 -0.128 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@H](C(=O)[O-])c2cccs2)nn1 ZINC000833082888 600869917 /nfs/dbraw/zinc/86/99/17/600869917.db2.gz IQULYXPOOSRPMZ-VIFPVBQESA-N -1 0 309.307 -0.619 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CSc1n[nH]c(C)n1 ZINC000831065106 600877398 /nfs/dbraw/zinc/87/73/98/600877398.db2.gz AHAOAMIWVLENSM-ZCFIWIBFSA-N -1 0 302.312 -0.662 20 0 DBADRM CC(=O)N[C@@H](CC(=O)Nc1ccc(CC(=O)[O-])cc1)C(N)=O ZINC000825879668 600877466 /nfs/dbraw/zinc/87/74/66/600877466.db2.gz ZWIYQGBRVCFKAO-NSHDSACASA-N -1 0 307.306 -0.368 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NC1(C(=O)[O-])CCCCCC1)C(N)=O ZINC000825879373 600879681 /nfs/dbraw/zinc/87/96/81/600879681.db2.gz SCGUDUZRRKFWQC-JTQLQIEISA-N -1 0 313.354 -0.340 20 0 DBADRM COC(=O)[C@H](C)NC(=O)c1cc(C(=O)N[C@@H](C)C(=O)[O-])ccn1 ZINC000831215058 600881529 /nfs/dbraw/zinc/88/15/29/600881529.db2.gz JCZZUDWMWRFEHK-YUMQZZPRSA-N -1 0 323.305 -0.424 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C ZINC000739626203 600881977 /nfs/dbraw/zinc/88/19/77/600881977.db2.gz DYHOCEGRGJCYCG-IUCAKERBSA-N -1 0 302.327 -0.100 20 0 DBADRM COC(=O)CC1=C(C(=O)[O-])[C@H](c2cn(C)nn2)NC(=S)N1 ZINC000737591027 600885476 /nfs/dbraw/zinc/88/54/76/600885476.db2.gz JXAHHMISPWHLMY-VIFPVBQESA-N -1 0 311.323 -0.764 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)[O-] ZINC000737589298 600901229 /nfs/dbraw/zinc/90/12/29/600901229.db2.gz CIRMWBVIEHRNOK-SECBINFHSA-N -1 0 320.257 -0.684 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@@H](C(=O)[O-])c2ccccn2)CC1=O ZINC000831741033 600905946 /nfs/dbraw/zinc/90/59/46/600905946.db2.gz KGIOHDAGELMQNG-GXFFZTMASA-N -1 0 321.333 -0.182 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000829847354 600913030 /nfs/dbraw/zinc/91/30/30/600913030.db2.gz DMUBTVIQXZIHOI-ZJUUUORDSA-N -1 0 314.338 -0.246 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000827768126 600916073 /nfs/dbraw/zinc/91/60/73/600916073.db2.gz NBVWLMQWNLUXHD-XPUUQOCRSA-N -1 0 306.365 -0.072 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2=O)n(C)n1 ZINC000832890007 600919616 /nfs/dbraw/zinc/91/96/16/600919616.db2.gz RDDKBNRQYLUQPZ-UTLUCORTSA-N -1 0 306.322 -0.329 20 0 DBADRM CCN1CCN(CC(=O)NC(CC)(CC)C(=O)[O-])C(=O)C1=O ZINC000829775867 600923679 /nfs/dbraw/zinc/92/36/79/600923679.db2.gz DUUQSQWBHSHHAD-UHFFFAOYSA-N -1 0 313.354 -0.563 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CC1(O)CCCC1 ZINC000833248455 600943050 /nfs/dbraw/zinc/94/30/50/600943050.db2.gz UDFPJVRNTDKKPH-UHFFFAOYSA-N -1 0 314.382 -0.073 20 0 DBADRM CCN1CCN(CC(=O)O[C@H](CC(C)C)C(=O)[O-])C(=O)C1=O ZINC000829776552 600951516 /nfs/dbraw/zinc/95/15/16/600951516.db2.gz QVTXARZAYSZBEY-SNVBAGLBSA-N -1 0 314.338 -0.280 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N[C@](C)(C(=O)[O-])C2CC2)n1C ZINC000833017699 600962130 /nfs/dbraw/zinc/96/21/30/600962130.db2.gz FVWBKLOLNJHEOZ-AWEZNQCLSA-N -1 0 309.370 -0.075 20 0 DBADRM C[C@@H](C(=O)N(CCC(=O)[O-])C1CCOCC1)S(C)(=O)=O ZINC000825977958 600964038 /nfs/dbraw/zinc/96/40/38/600964038.db2.gz SYYRUJKHNQKXJU-VIFPVBQESA-N -1 0 307.368 -0.098 20 0 DBADRM COC[C@@H]1CN(CC(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC000737752126 600969373 /nfs/dbraw/zinc/96/93/73/600969373.db2.gz SBNBIULQIXVXRR-LBPRGKRZSA-N -1 0 300.355 -0.343 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000831000815 600972905 /nfs/dbraw/zinc/97/29/05/600972905.db2.gz NANSZVNJMAQDGO-BDAKNGLRSA-N -1 0 309.326 -0.146 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000831000819 600972928 /nfs/dbraw/zinc/97/29/28/600972928.db2.gz NANSZVNJMAQDGO-IUCAKERBSA-N -1 0 309.326 -0.146 20 0 DBADRM COC(=O)c1ccc(NC(=S)NCC(N)=O)cc1C(=O)[O-] ZINC000831431161 600973497 /nfs/dbraw/zinc/97/34/97/600973497.db2.gz XTEFCYLMUGPTSP-UHFFFAOYSA-N -1 0 311.319 -0.057 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C(=O)[O-])c1ccccn1 ZINC000827767768 600974433 /nfs/dbraw/zinc/97/44/33/600974433.db2.gz KLHRZZMXTRDADQ-CBAPKCEASA-N -1 0 301.324 -0.739 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000737578313 600981511 /nfs/dbraw/zinc/98/15/11/600981511.db2.gz YKPGWOXEMZWMAS-VIFPVBQESA-N -1 0 319.339 -0.241 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC(C)(C)N1CCOCC1 ZINC000830743000 600991219 /nfs/dbraw/zinc/99/12/19/600991219.db2.gz VLSRWVBMLYITOC-UHFFFAOYSA-N -1 0 323.415 -0.662 20 0 DBADRM O=C([O-])c1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1 ZINC000740099257 600991565 /nfs/dbraw/zinc/99/15/65/600991565.db2.gz UZVNHXNOBMESDN-UHFFFAOYSA-N -1 0 317.305 -0.103 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000830743036 600992609 /nfs/dbraw/zinc/99/26/09/600992609.db2.gz XUITYPWVPAGGLB-LLVKDONJSA-N -1 0 315.351 -0.546 20 0 DBADRM C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000088769741 600993690 /nfs/dbraw/zinc/99/36/90/600993690.db2.gz JPEROHAXVWYFBB-RKDXNWHRSA-N -1 0 307.372 -0.777 20 0 DBADRM C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000088769737 600993898 /nfs/dbraw/zinc/99/38/98/600993898.db2.gz JPEROHAXVWYFBB-BDAKNGLRSA-N -1 0 307.372 -0.777 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC(=O)NC1CCCCC1 ZINC000830743065 600994754 /nfs/dbraw/zinc/99/47/54/600994754.db2.gz ZORZYZWNQHELAB-UHFFFAOYSA-N -1 0 321.399 -0.324 20 0 DBADRM O=C([O-])c1cncc(N2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000833337787 600999789 /nfs/dbraw/zinc/99/97/89/600999789.db2.gz MVRYTLQFKTYERK-UHFFFAOYSA-N -1 0 319.365 -0.081 20 0 DBADRM CNC(=O)c1cccc(C(=O)N(CC(=O)[O-])CC(=O)OC)c1 ZINC000737550471 601008500 /nfs/dbraw/zinc/00/85/00/601008500.db2.gz LHESRKOZBJGRTQ-UHFFFAOYSA-N -1 0 308.290 -0.254 20 0 DBADRM Cn1c(=O)c2cc(NC(=O)NCCC(=O)[O-])cnc2n(C)c1=O ZINC000819057848 601009880 /nfs/dbraw/zinc/00/98/80/601009880.db2.gz IOSKARBONNYVCE-UHFFFAOYSA-N -1 0 321.293 -0.772 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCNC(=O)[C@H]1c1cccs1 ZINC000833237300 601035758 /nfs/dbraw/zinc/03/57/58/601035758.db2.gz PDJOZOZTGJPVCU-GFCCVEGCSA-N -1 0 311.363 -0.188 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1 ZINC000320095577 601078637 /nfs/dbraw/zinc/07/86/37/601078637.db2.gz DRMNOMAOOGKVAR-NSHDSACASA-N -1 0 317.301 -0.067 20 0 DBADRM C[C@H](OC(=O)C[C@](C)(O)C(F)(F)F)C(=O)NCC(=O)[O-] ZINC000827824944 601097815 /nfs/dbraw/zinc/09/78/15/601097815.db2.gz BQEANLWRGPAMEC-CDUCUWFYSA-N -1 0 301.217 -0.178 20 0 DBADRM CCc1c(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])cnc2ncnn21 ZINC000830208852 601102539 /nfs/dbraw/zinc/10/25/39/601102539.db2.gz AWDUFXJJXBIWMG-ZETCQYMHSA-N -1 0 321.293 -0.567 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCO[C@H](CNc2cccnn2)C1 ZINC000739808200 601107074 /nfs/dbraw/zinc/10/70/74/601107074.db2.gz ZNKQWDDRYWYXBB-LLVKDONJSA-N -1 0 323.353 -0.820 20 0 DBADRM O=C([O-])CSCCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000389465030 601108184 /nfs/dbraw/zinc/10/81/84/601108184.db2.gz IAKJWHLYGCLZIG-NSHDSACASA-N -1 0 317.411 -0.080 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000062976371 601110381 /nfs/dbraw/zinc/11/03/81/601110381.db2.gz NFYOIKQPOXAAHC-LLVKDONJSA-N -1 0 306.384 -0.413 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000825841914 601129714 /nfs/dbraw/zinc/12/97/14/601129714.db2.gz XIWQVDOLLFKEPX-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM O=C([O-])c1cccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC000821554019 601133017 /nfs/dbraw/zinc/13/30/17/601133017.db2.gz DGSXVMCGLKVAHZ-LBPRGKRZSA-N -1 0 303.318 -0.473 20 0 DBADRM C/C(=C\CN1CCN(C(=O)C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000825741285 601157744 /nfs/dbraw/zinc/15/77/44/601157744.db2.gz LLNDCLKCOUJANY-UUILKARUSA-N -1 0 309.366 -0.216 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1C(=O)[O-] ZINC000832938344 601159400 /nfs/dbraw/zinc/15/94/00/601159400.db2.gz ZCLBQHXGRLQVMO-UHFFFAOYSA-N -1 0 305.290 -0.410 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000830988074 601159886 /nfs/dbraw/zinc/15/98/86/601159886.db2.gz ROEGADAAZKSVRX-UHFFFAOYSA-N -1 0 307.306 -0.164 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(C2CC2)C(=O)C1)C(=O)[O-] ZINC000828717450 601181068 /nfs/dbraw/zinc/18/10/68/601181068.db2.gz JOCVMMJFBIRZHC-HZMBPMFUSA-N -1 0 311.382 -0.092 20 0 DBADRM COC(=O)[C@H]1CCC[C@H](C(=O)OCC(=O)NCC(=O)[O-])C1 ZINC000820660908 601190821 /nfs/dbraw/zinc/19/08/21/601190821.db2.gz NWASYOKFIWOWOY-IUCAKERBSA-N -1 0 301.295 -0.290 20 0 DBADRM CCOC(=O)N1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000317887121 601194056 /nfs/dbraw/zinc/19/40/56/601194056.db2.gz AJWGDDJBNZPHTH-UHFFFAOYSA-N -1 0 311.298 -0.723 20 0 DBADRM CC(C)(CNC(=O)NCCSCC(=O)[O-])S(C)(=O)=O ZINC000389447774 601195048 /nfs/dbraw/zinc/19/50/48/601195048.db2.gz PBYLZKVEXFKHAN-UHFFFAOYSA-N -1 0 312.413 -0.073 20 0 DBADRM CN(C)c1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cn1 ZINC000830639806 601196566 /nfs/dbraw/zinc/19/65/66/601196566.db2.gz QIFQOZOESUHJMY-UHFFFAOYSA-N -1 0 304.310 -0.246 20 0 DBADRM Cn1ncc2c1CCC[C@H]2NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833063459 601196867 /nfs/dbraw/zinc/19/68/67/601196867.db2.gz YEYWPGJMJZVTRB-SECBINFHSA-N -1 0 304.310 -0.096 20 0 DBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N(C)CC(N)=O ZINC000831923456 601212500 /nfs/dbraw/zinc/21/25/00/601212500.db2.gz IAYKNOPFUDWLNR-UHFFFAOYSA-N -1 0 308.337 -0.439 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)COc1cccc(N2CCCC2=O)c1 ZINC000833115175 601216905 /nfs/dbraw/zinc/21/69/05/601216905.db2.gz BQDIJEWCUKYOGJ-GFCCVEGCSA-N -1 0 322.317 -0.246 20 0 DBADRM Cc1oc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2)cc1C(=O)[O-] ZINC000833028159 601219920 /nfs/dbraw/zinc/21/99/20/601219920.db2.gz KLWFYFDBVVVUBA-SSDOTTSWSA-N -1 0 302.308 -0.205 20 0 DBADRM Cc1oc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2)cc1C(=O)[O-] ZINC000833028162 601219953 /nfs/dbraw/zinc/21/99/53/601219953.db2.gz KLWFYFDBVVVUBA-ZETCQYMHSA-N -1 0 302.308 -0.205 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000048445732 601223378 /nfs/dbraw/zinc/22/33/78/601223378.db2.gz RGLIEPHODROXJC-LURJTMIESA-N -1 0 304.299 -0.063 20 0 DBADRM NC(=O)CN1C[C@H](OC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1=O ZINC000833080849 601240116 /nfs/dbraw/zinc/24/01/16/601240116.db2.gz FCFJCOBVCXPQSJ-KXUCPTDWSA-N -1 0 312.322 -0.493 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)CC(=O)NC(C)(C)C ZINC000088769311 601253022 /nfs/dbraw/zinc/25/30/22/601253022.db2.gz NUYNDIYRZYSIFT-UHFFFAOYSA-N -1 0 309.388 -0.516 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000088769351 601253162 /nfs/dbraw/zinc/25/31/62/601253162.db2.gz SXWGOXSYJCBCMR-UHFFFAOYSA-N -1 0 319.383 -0.808 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCNC(=O)c1ccco1 ZINC000830747587 601254027 /nfs/dbraw/zinc/25/40/27/601254027.db2.gz SKRFUGIMTYRVEL-UHFFFAOYSA-N -1 0 319.339 -0.750 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC(=O)N1CCCCC1 ZINC000228792178 601254806 /nfs/dbraw/zinc/25/48/06/601254806.db2.gz QUYFAQDRRDBXSD-UHFFFAOYSA-N -1 0 307.372 -0.760 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCN(CC2CC2)CC1 ZINC000088769636 601255572 /nfs/dbraw/zinc/25/55/72/601255572.db2.gz MMDUBZIEXUCLRU-UHFFFAOYSA-N -1 0 305.400 -0.335 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCNc1ncccn1 ZINC000830747383 601257386 /nfs/dbraw/zinc/25/73/86/601257386.db2.gz HRWGILMNVKVWJF-UHFFFAOYSA-N -1 0 303.344 -0.871 20 0 DBADRM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000826727052 601259066 /nfs/dbraw/zinc/25/90/66/601259066.db2.gz HLILXPBTTUTRMF-SNVBAGLBSA-N -1 0 307.372 -0.906 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000830734750 601259498 /nfs/dbraw/zinc/25/94/98/601259498.db2.gz IEOZMQLCPKBYCL-JTQLQIEISA-N -1 0 321.399 -0.385 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCN1CCOCC1(C)C ZINC000830747681 601259575 /nfs/dbraw/zinc/25/95/75/601259575.db2.gz ZHZUXOPYAHVVSQ-UHFFFAOYSA-N -1 0 323.415 -0.662 20 0 DBADRM CCc1nc(CCNS(=O)(=O)N(C)CCC(=O)[O-])no1 ZINC000830314104 601259898 /nfs/dbraw/zinc/25/98/98/601259898.db2.gz IDSQWXDXTPRXGS-UHFFFAOYSA-N -1 0 306.344 -0.585 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000827385972 601260057 /nfs/dbraw/zinc/26/00/57/601260057.db2.gz PVNQHKNNLIPYRE-NSHDSACASA-N -1 0 305.400 -0.192 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)C[C@H]2CCOC2)CC1 ZINC000827386728 601260123 /nfs/dbraw/zinc/26/01/23/601260123.db2.gz XBMQBRDLYCIQPV-NEPJUHHUSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000828422034 601263361 /nfs/dbraw/zinc/26/33/61/601263361.db2.gz HQGYMEHFKQVTDJ-GHMZBOCLSA-N -1 0 307.416 -0.090 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000830735690 601264617 /nfs/dbraw/zinc/26/46/17/601264617.db2.gz XSRVPNVCHPOSQD-SECBINFHSA-N -1 0 307.372 -0.775 20 0 DBADRM COC(=O)CCCS(=O)(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000831152543 601270440 /nfs/dbraw/zinc/27/04/40/601270440.db2.gz WYQZWMIAJCHDGT-UHFFFAOYSA-N -1 0 323.367 -0.117 20 0 DBADRM CNC(=O)c1ccccc1NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000831019601 601274012 /nfs/dbraw/zinc/27/40/12/601274012.db2.gz DVJZVVCTHPYPRP-UHFFFAOYSA-N -1 0 303.278 -0.025 20 0 DBADRM NC(=O)c1cc(NC(=O)Cn2cc(C(=O)[O-])nn2)ccc1F ZINC000833084857 601275649 /nfs/dbraw/zinc/27/56/49/601275649.db2.gz RUNACCSUFOORGJ-UHFFFAOYSA-N -1 0 307.241 -0.147 20 0 DBADRM COC(=O)[C@H](C)CN(C(=O)Cn1cc(C(=O)[O-])nn1)C1CC1 ZINC000831059901 601280592 /nfs/dbraw/zinc/28/05/92/601280592.db2.gz LVEFLZQOXMYRAR-MRVPVSSYSA-N -1 0 310.310 -0.224 20 0 DBADRM CC(C)C(=O)N1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000826652123 601281627 /nfs/dbraw/zinc/28/16/27/601281627.db2.gz VSUCNHQIFOSJKY-UHFFFAOYSA-N -1 0 323.353 -0.307 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H]2Cn2cccn2)nn1 ZINC000833340142 601283319 /nfs/dbraw/zinc/28/33/19/601283319.db2.gz PXEGJVAFIRSKPH-JTQLQIEISA-N -1 0 304.310 -0.136 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H](N3CCCC3=O)C2)nn1 ZINC000833340368 601285362 /nfs/dbraw/zinc/28/53/62/601285362.db2.gz SAZZJXLPOHVSMY-SNVBAGLBSA-N -1 0 321.337 -0.410 20 0 DBADRM CC(C)(CNC(=O)c1ccnc(C(=O)[O-])c1)NS(C)(=O)=O ZINC000168934927 601285395 /nfs/dbraw/zinc/28/53/95/601285395.db2.gz ZNGQKLLVZFVCAM-UHFFFAOYSA-N -1 0 315.351 -0.163 20 0 DBADRM C[C@H]([C@H](C)N(C)C(=O)Cn1cc(C(=O)[O-])nn1)S(C)(=O)=O ZINC000826071957 601286022 /nfs/dbraw/zinc/28/60/22/601286022.db2.gz QDNJRZKPDIVGOG-JGVFFNPUSA-N -1 0 318.355 -0.744 20 0 DBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000826071961 601286031 /nfs/dbraw/zinc/28/60/31/601286031.db2.gz QDNJRZKPDIVGOG-YUMQZZPRSA-N -1 0 318.355 -0.744 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCOC[C@H]2C(F)(F)F)nn1 ZINC000833337619 601289062 /nfs/dbraw/zinc/28/90/62/601289062.db2.gz FLOSFVQCKPSGKN-ZETCQYMHSA-N -1 0 308.216 -0.234 20 0 DBADRM CCOC(=O)C1(CNC(=O)Cn2cc(C(=O)[O-])nn2)CCC1 ZINC000829827986 601289082 /nfs/dbraw/zinc/28/90/82/601289082.db2.gz WIJJGLIJDJFVBQ-UHFFFAOYSA-N -1 0 310.310 -0.174 20 0 DBADRM COC(=O)[C@@H](CNC(=O)Cn1cc(C(=O)[O-])nn1)CC(C)C ZINC000831071667 601290298 /nfs/dbraw/zinc/29/02/98/601290298.db2.gz FOKZIDMCSPSYGO-SECBINFHSA-N -1 0 312.326 -0.072 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@@H]1N1CCOCC1 ZINC000828348255 601290791 /nfs/dbraw/zinc/29/07/91/601290791.db2.gz ILNRFBPVCPHGEG-PWSUYJOCSA-N -1 0 323.353 -0.845 20 0 DBADRM CN(C)c1nc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cs1 ZINC000830646796 601291663 /nfs/dbraw/zinc/29/16/63/601291663.db2.gz CWNFQKWXHCJASD-UHFFFAOYSA-N -1 0 310.339 -0.185 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CCN1C(=O)CCC1=O ZINC000831549254 601293188 /nfs/dbraw/zinc/29/31/88/601293188.db2.gz QUFVYZCKERAIQV-ZDUSSCGKSA-N -1 0 300.311 -0.479 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)CCSCC(=O)[O-] ZINC000830706863 601295332 /nfs/dbraw/zinc/29/53/32/601295332.db2.gz VZOHCQWTJZSZKE-NSHDSACASA-N -1 0 320.411 -0.654 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CCCN1C(=O)CNC1=O ZINC000831549197 601296847 /nfs/dbraw/zinc/29/68/47/601296847.db2.gz ODIRWJZAPJAVDY-CYBMUJFWSA-N -1 0 315.326 -0.686 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000831549364 601300449 /nfs/dbraw/zinc/30/04/49/601300449.db2.gz XAMAXLHIJGLSFB-ZDUSSCGKSA-N -1 0 315.326 -0.687 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NC[C@]2(O)CCSC2)n1 ZINC000833276555 601312158 /nfs/dbraw/zinc/31/21/58/601312158.db2.gz SYVIZUMGERIZCG-LLVKDONJSA-N -1 0 300.340 -0.043 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC000818369128 601313227 /nfs/dbraw/zinc/31/32/27/601313227.db2.gz YWAOXHDCWILZIE-VIFPVBQESA-N -1 0 309.326 -0.090 20 0 DBADRM CCN1CCN(CC(=O)Nc2cc(C(=O)[O-])n(C)c2)C(=O)C1=O ZINC000829776994 601317443 /nfs/dbraw/zinc/31/74/43/601317443.db2.gz ZWMSXSDFSVASBY-UHFFFAOYSA-N -1 0 322.321 -0.648 20 0 DBADRM N=C1NC(=O)C(CC(=O)NC2(CC(=O)[O-])CCOCC2)S1 ZINC000833089356 601326729 /nfs/dbraw/zinc/32/67/29/601326729.db2.gz OAOWMVYXZMSVBP-SSDOTTSWSA-N -1 0 315.351 -0.317 20 0 DBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCCCC(=O)[O-] ZINC000818113522 601332573 /nfs/dbraw/zinc/33/25/73/601332573.db2.gz PWXDQNSHBCJXLO-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM CON(C)C(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000818552223 601338461 /nfs/dbraw/zinc/33/84/61/601338461.db2.gz FYZDLFRIXLUCKM-UHFFFAOYSA-N -1 0 323.305 -0.151 20 0 DBADRM CNS(=O)(=O)CC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000831025538 601342085 /nfs/dbraw/zinc/34/20/85/601342085.db2.gz RRBFKUGWVWRSTE-NSHDSACASA-N -1 0 314.363 -0.171 20 0 DBADRM CNS(=O)(=O)CC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000831025615 601342127 /nfs/dbraw/zinc/34/21/27/601342127.db2.gz UZKLNWXLXZCYPA-SECBINFHSA-N -1 0 308.356 -0.982 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)Cn1ccnc1S(C)(=O)=O)C(=O)[O-] ZINC000828728104 601347176 /nfs/dbraw/zinc/34/71/76/601347176.db2.gz HKVDTYYUGHZSJE-PSASIEDQSA-N -1 0 317.367 -0.098 20 0 DBADRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)N[C@@H]2CCCNC2=O)c1 ZINC000833151746 601349432 /nfs/dbraw/zinc/34/94/32/601349432.db2.gz PSAXQALCSYKPLN-SECBINFHSA-N -1 0 323.280 -0.143 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000832913464 601350000 /nfs/dbraw/zinc/35/00/00/601350000.db2.gz GWZWIDIBQLYMBE-SNVBAGLBSA-N -1 0 319.317 -0.021 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1=O ZINC000830913140 601350894 /nfs/dbraw/zinc/35/08/94/601350894.db2.gz LZMIHOQKDAVTQB-MRVPVSSYSA-N -1 0 323.280 -0.191 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CC1=O ZINC000830913394 601350929 /nfs/dbraw/zinc/35/09/29/601350929.db2.gz OQXLFNLQRADGFK-JTQLQIEISA-N -1 0 305.290 -0.330 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)NCCCC(=O)[O-] ZINC000818413351 601359389 /nfs/dbraw/zinc/35/93/89/601359389.db2.gz PEBOLEAWQNNFND-LLVKDONJSA-N -1 0 303.359 -0.814 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)NCCCC(=O)[O-] ZINC000818413353 601359522 /nfs/dbraw/zinc/35/95/22/601359522.db2.gz PEBOLEAWQNNFND-NSHDSACASA-N -1 0 303.359 -0.814 20 0 DBADRM C[C@H](CCO)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000827418154 601364558 /nfs/dbraw/zinc/36/45/58/601364558.db2.gz YVWCMZGDRHLBQP-SECBINFHSA-N -1 0 310.306 -0.024 20 0 DBADRM COC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000831649593 601365248 /nfs/dbraw/zinc/36/52/48/601365248.db2.gz DKGUMWGQHMHPFY-GFCCVEGCSA-N -1 0 324.333 -0.234 20 0 DBADRM COC[C@H](CCO)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000831649596 601365349 /nfs/dbraw/zinc/36/53/49/601365349.db2.gz DKGUMWGQHMHPFY-LBPRGKRZSA-N -1 0 324.333 -0.234 20 0 DBADRM COC[C@@H](CCO)NC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC000831651429 601365609 /nfs/dbraw/zinc/36/56/09/601365609.db2.gz YYYROJWWWBSGOW-SSDOTTSWSA-N -1 0 316.335 -0.102 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCCN2CCOCC2)CCO1 ZINC000091295553 601366206 /nfs/dbraw/zinc/36/62/06/601366206.db2.gz UAXHTBOMQAJLBU-LLVKDONJSA-N -1 0 301.343 -0.796 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=S)NCCN2CCOCC2)CCO1 ZINC000833221744 601368358 /nfs/dbraw/zinc/36/83/58/601368358.db2.gz MYWMIPHLSVUKTQ-LLVKDONJSA-N -1 0 317.411 -0.631 20 0 DBADRM O=C([O-])C[C@@H]1CN(Cn2nnn(-c3ccccc3)c2=O)CCO1 ZINC000833220312 601374537 /nfs/dbraw/zinc/37/45/37/601374537.db2.gz PSFKYQHBPMMVCQ-GFCCVEGCSA-N -1 0 319.321 -0.438 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CCO[C@@H](CC(=O)[O-])C2)C1=O ZINC000831660748 601374887 /nfs/dbraw/zinc/37/48/87/601374887.db2.gz QOLPMVWSQJFPHT-ZANVPECISA-N -1 0 315.326 -0.924 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C1CC1 ZINC000831078010 601389168 /nfs/dbraw/zinc/38/91/68/601389168.db2.gz HIBWRZSACLMJGF-SECBINFHSA-N -1 0 302.308 -0.057 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C1CC1 ZINC000831084454 601389338 /nfs/dbraw/zinc/38/93/38/601389338.db2.gz LDOULTUURZVVTL-SNVBAGLBSA-N -1 0 317.323 -0.802 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)CC1CCOCC1 ZINC000833207824 601390015 /nfs/dbraw/zinc/39/00/15/601390015.db2.gz RCPGSUWSLDZMTE-SNVBAGLBSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)CC1CC1 ZINC000833248700 601391434 /nfs/dbraw/zinc/39/14/34/601391434.db2.gz XSJNIDCJQNGJEQ-UHFFFAOYSA-N -1 0 306.384 -0.555 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000776700844 601392255 /nfs/dbraw/zinc/39/22/55/601392255.db2.gz MTYYMKGBRMLIIK-SNVBAGLBSA-N -1 0 308.356 -0.873 20 0 DBADRM NC(=O)c1ccc(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)o1 ZINC000833085452 601394148 /nfs/dbraw/zinc/39/41/48/601394148.db2.gz PKRQKEBUQCKIID-UHFFFAOYSA-N -1 0 313.291 -0.117 20 0 DBADRM CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000234382449 601395821 /nfs/dbraw/zinc/39/58/21/601395821.db2.gz CTRUHQLOYZKIRM-SSDOTTSWSA-N -1 0 304.324 -0.020 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000829842955 601397302 /nfs/dbraw/zinc/39/73/02/601397302.db2.gz DEIXCJQDAAKZML-SNVBAGLBSA-N -1 0 323.367 -0.165 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000829842954 601397352 /nfs/dbraw/zinc/39/73/52/601397352.db2.gz DEIXCJQDAAKZML-JTQLQIEISA-N -1 0 323.367 -0.165 20 0 DBADRM C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)N(C)C ZINC000037656845 601399315 /nfs/dbraw/zinc/39/93/15/601399315.db2.gz LHVPRQZCGRMFTB-MRVPVSSYSA-N -1 0 307.372 -0.906 20 0 DBADRM COC(=O)[C@H]1CCCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000088769337 601401113 /nfs/dbraw/zinc/40/11/13/601401113.db2.gz QKVPRSOGUFBNNH-SECBINFHSA-N -1 0 308.356 -0.335 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(CC(=O)[O-])C1CC1 ZINC000037592605 601401880 /nfs/dbraw/zinc/40/18/80/601401880.db2.gz WXQROTJASBSVQG-SNVBAGLBSA-N -1 0 320.367 -0.192 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N(CC(=O)[O-])C2CC2)CC1 ZINC000037592603 601402678 /nfs/dbraw/zinc/40/26/78/601402678.db2.gz DSQSBNVBUWRNHG-UHFFFAOYSA-N -1 0 320.367 -0.335 20 0 DBADRM C/C(=C/COC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000825759400 601414093 /nfs/dbraw/zinc/41/40/93/601414093.db2.gz ZYECRDJOCXPAAE-YWEYNIOJSA-N -1 0 306.340 -0.524 20 0 DBADRM C/C(=C/COC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000825765562 601416238 /nfs/dbraw/zinc/41/62/38/601416238.db2.gz SRMHSHDAKGXDMZ-BAQGIRSFSA-N -1 0 317.323 -0.728 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000825972151 601442444 /nfs/dbraw/zinc/44/24/44/601442444.db2.gz LMSNTVFIWSFOGN-OTYXRUKQSA-N -1 0 315.345 -0.390 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000826001772 601443166 /nfs/dbraw/zinc/44/31/66/601443166.db2.gz ZMIKBOMDJGGZLQ-KBVBSXBZSA-N -1 0 322.358 -0.823 20 0 DBADRM CN(C)CCN(C(=O)CCNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000830604075 601448124 /nfs/dbraw/zinc/44/81/24/601448124.db2.gz FYTCZZQOLVONMG-SNVBAGLBSA-N -1 0 321.399 -0.779 20 0 DBADRM CN(C(=O)CN1C[C@H](O)C[C@H](O)C1)c1ccccc1C(=O)[O-] ZINC000830485420 601450186 /nfs/dbraw/zinc/45/01/86/601450186.db2.gz FWLHMCNQXZQSNF-PHIMTYICSA-N -1 0 308.334 -0.225 20 0 DBADRM O=C([O-])C[C@@H]1CN(C[C@H](O)COC[C@@H]2CCCO2)CCO1 ZINC000833222618 601454769 /nfs/dbraw/zinc/45/47/69/601454769.db2.gz SBKAEPMTTKTBJU-RWMBFGLXSA-N -1 0 303.355 -0.282 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CCO[C@H](CC(=O)[O-])C1 ZINC000831643258 601455086 /nfs/dbraw/zinc/45/50/86/601455086.db2.gz DNAWFNXETZSXFF-VHSXEESVSA-N -1 0 317.342 -0.977 20 0 DBADRM CC(C)NC(=O)NC(=O)[C@H](C)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000826976412 601460777 /nfs/dbraw/zinc/46/07/77/601460777.db2.gz WHMGNJPCHFLYMJ-UWVGGRQHSA-N -1 0 301.343 -0.215 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000317055419 601462015 /nfs/dbraw/zinc/46/20/15/601462015.db2.gz XREULQYNNHFHPI-NSHDSACASA-N -1 0 310.354 -0.981 20 0 DBADRM CC[C@](C)(CC(=O)[O-])NS(=O)(=O)CCS(C)(=O)=O ZINC000828671829 601479446 /nfs/dbraw/zinc/47/94/46/601479446.db2.gz HCJHMVNMGMOSEJ-SECBINFHSA-N -1 0 301.386 -0.406 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000832914330 601483313 /nfs/dbraw/zinc/48/33/13/601483313.db2.gz TVVFTQYCIMWHIX-PHIMTYICSA-N -1 0 322.317 -0.414 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)cc1 ZINC000833154305 601483319 /nfs/dbraw/zinc/48/33/19/601483319.db2.gz MTKFJRMNHKKKFP-PHIMTYICSA-N -1 0 308.290 -0.723 20 0 DBADRM O=C([O-])C[C@@H]1CN(C[C@H](O)COC2CCOCC2)CCO1 ZINC000833221660 601484228 /nfs/dbraw/zinc/48/42/28/601484228.db2.gz MCXUXYFZOKPZCX-WCQYABFASA-N -1 0 303.355 -0.282 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N[C@H]1CCCNC1=O ZINC000819592229 601488638 /nfs/dbraw/zinc/48/86/38/601488638.db2.gz KWINHSCJPMXROI-NSHDSACASA-N -1 0 319.317 -0.353 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818004719 601489586 /nfs/dbraw/zinc/48/95/86/601489586.db2.gz UKAUBTGAYMFCAT-MRVPVSSYSA-N -1 0 307.306 -0.368 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1 ZINC000832389618 601490945 /nfs/dbraw/zinc/49/09/45/601490945.db2.gz VEKXLWHHJPIYDN-JTQLQIEISA-N -1 0 323.305 -0.269 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1 ZINC000833008564 601491989 /nfs/dbraw/zinc/49/19/89/601491989.db2.gz JQOQSNCZRDTLFN-JTQLQIEISA-N -1 0 308.294 -0.574 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000831000813 601496513 /nfs/dbraw/zinc/49/65/13/601496513.db2.gz MYRAKEBDAWKVJN-MRVPVSSYSA-N -1 0 323.305 -0.661 20 0 DBADRM CC(C)[C@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000032074969 601497430 /nfs/dbraw/zinc/49/74/30/601497430.db2.gz CBRMQKUAKNRQCW-KOLCDFICSA-N -1 0 306.384 -0.669 20 0 DBADRM C[C@@H]1CC(=O)NCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000828151683 601518170 /nfs/dbraw/zinc/51/81/70/601518170.db2.gz YHBMHOMSCUFJCK-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NS(=O)(=O)CCCC(=O)[O-])C1=O ZINC000826956031 601519842 /nfs/dbraw/zinc/51/98/42/601519842.db2.gz CUYTTWACZMNZDC-MRVPVSSYSA-N -1 0 306.340 -0.694 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCc2nnnn2C2CC2)CC1 ZINC000833203133 601519916 /nfs/dbraw/zinc/51/99/16/601519916.db2.gz AHUKCRLHJMPVQS-UHFFFAOYSA-N -1 0 315.355 -0.318 20 0 DBADRM COC(=O)[C@@H]1COCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000831118681 601520157 /nfs/dbraw/zinc/52/01/57/601520157.db2.gz CPOHQAGKNNVSFE-VIFPVBQESA-N -1 0 321.351 -0.555 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000250948338 601526375 /nfs/dbraw/zinc/52/63/75/601526375.db2.gz NPXVHGZYQXDLKR-ZJUUUORDSA-N -1 0 304.368 -0.220 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1 ZINC000833087586 601541233 /nfs/dbraw/zinc/54/12/33/601541233.db2.gz DHHGRYQEJDBPRX-JTQLQIEISA-N -1 0 319.383 -0.729 20 0 DBADRM O=C(CN1C[C@H](O)C[C@H](O)C1)NC1(C(=O)[O-])CCCCC1 ZINC000833108645 601557584 /nfs/dbraw/zinc/55/75/84/601557584.db2.gz OTNCSRMAANFDMK-PHIMTYICSA-N -1 0 300.355 -0.682 20 0 DBADRM CN(C(=O)CNS(=O)(=O)c1cn(C)cn1)C(C)(C)C(=O)[O-] ZINC000830485861 601558338 /nfs/dbraw/zinc/55/83/38/601558338.db2.gz PYXLGPYQDNDYNT-UHFFFAOYSA-N -1 0 318.355 -0.980 20 0 DBADRM Cn1ncc2c1nnn(CN1CCCC[C@H]1CC(=O)[O-])c2=O ZINC000833061719 601559063 /nfs/dbraw/zinc/55/90/63/601559063.db2.gz GRAAPGFLTUNBRB-VIFPVBQESA-N -1 0 306.326 -0.188 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCOC[C@@H]1C(=O)OC)C(=O)[O-] ZINC000828715575 601559225 /nfs/dbraw/zinc/55/92/25/601559225.db2.gz DJFIRTSNYTVNCI-UMNHJUIQSA-N -1 0 316.354 -0.524 20 0 DBADRM COC(=O)[C@H]1COCCN1CCCN1CCOC[C@@H]1C(=O)[O-] ZINC000831119681 601560117 /nfs/dbraw/zinc/56/01/17/601560117.db2.gz QYXKYCMJMPDWFJ-VXGBXAGGSA-N -1 0 316.354 -0.964 20 0 DBADRM COC(=O)[C@H]1COCCN1CCCN1CCOC[C@H]1C(=O)[O-] ZINC000831119679 601560126 /nfs/dbraw/zinc/56/01/26/601560126.db2.gz QYXKYCMJMPDWFJ-NWDGAFQWSA-N -1 0 316.354 -0.964 20 0 DBADRM CN(CC(=O)N[C@H](CC(=O)[O-])C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000830669897 601564202 /nfs/dbraw/zinc/56/42/02/601564202.db2.gz QXUHYHKFBOBJIM-WDEREUQCSA-N -1 0 318.395 -0.525 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(N)=O ZINC000827756147 601569024 /nfs/dbraw/zinc/56/90/24/601569024.db2.gz WUKKGQDHLXHXLB-SCSAIBSYSA-N -1 0 308.262 -0.185 20 0 DBADRM CN1CCN(S(=O)(=O)c2csnc2C(=O)[O-])CC1=O ZINC000830960572 601580278 /nfs/dbraw/zinc/58/02/78/601580278.db2.gz RUYJLXLGVFCYEO-UHFFFAOYSA-N -1 0 305.337 -0.696 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000828471780 601587782 /nfs/dbraw/zinc/58/77/82/601587782.db2.gz OBRVEQOOLJKVJQ-IUCAKERBSA-N -1 0 313.397 -0.597 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)C[C@H]1C(=O)[O-] ZINC000235349758 601589724 /nfs/dbraw/zinc/58/97/24/601589724.db2.gz GWQIKQRFYWTMDO-VXNVDRBHSA-N -1 0 315.351 -0.535 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000831735414 601589945 /nfs/dbraw/zinc/58/99/45/601589945.db2.gz VGEKTFPRTFGZFL-MNOVXSKESA-N -1 0 324.399 -0.522 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1cn(Cc2ccccn2)nn1 ZINC000833193030 601606366 /nfs/dbraw/zinc/60/63/66/601606366.db2.gz ZKQGSVQIAQTKHL-GFCCVEGCSA-N -1 0 317.305 -0.353 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000827928502 601607571 /nfs/dbraw/zinc/60/75/71/601607571.db2.gz HTBAUMZIOCNZLI-HTQZYQBOSA-N -1 0 300.340 -0.392 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000776574218 601613142 /nfs/dbraw/zinc/61/31/42/601613142.db2.gz OOMGIHTULKFKLQ-SECBINFHSA-N -1 0 308.356 -0.431 20 0 DBADRM O=C([O-])[C@H]1CCCCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000821509428 601627692 /nfs/dbraw/zinc/62/76/92/601627692.db2.gz WXHSQOFEDLREIP-SNVBAGLBSA-N -1 0 304.368 -0.818 20 0 DBADRM COC[C@](C)(O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000831638158 601630409 /nfs/dbraw/zinc/63/04/09/601630409.db2.gz TXWNUHCHMLIRTO-HNNXBMFYSA-N -1 0 324.333 -0.234 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N(CC(=O)[O-])C1CC1)c2=O ZINC000347495663 601634159 /nfs/dbraw/zinc/63/41/59/601634159.db2.gz KQRFQYUMLOEXFO-UHFFFAOYSA-N -1 0 305.294 -0.794 20 0 DBADRM Cc1nc(C(=O)[O-])cn1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000832994895 601637338 /nfs/dbraw/zinc/63/73/38/601637338.db2.gz PLODJBIOJKAXGY-UHFFFAOYSA-N -1 0 320.349 -0.029 20 0 DBADRM CCCCC[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000829320873 601641354 /nfs/dbraw/zinc/64/13/54/601641354.db2.gz GLERZLATFKAJIM-LLVKDONJSA-N -1 0 320.411 -0.134 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCN2C(=O)CCC2=O)C[C@H]1C(=O)[O-] ZINC000828354092 601660057 /nfs/dbraw/zinc/66/00/57/601660057.db2.gz FRJNTFIAVRVZSV-NXEZZACHSA-N -1 0 311.338 -0.112 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000231020688 601660453 /nfs/dbraw/zinc/66/04/53/601660453.db2.gz GHDQGFZEYBPIRJ-BDAKNGLRSA-N -1 0 307.372 -0.712 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000767213237 601660625 /nfs/dbraw/zinc/66/06/25/601660625.db2.gz CXOZLHTUVNQIMT-LDYMZIIASA-N -1 0 308.331 -0.564 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCS(=O)(=O)C(C)(C)C1 ZINC000830691950 601663836 /nfs/dbraw/zinc/66/38/36/601663836.db2.gz GUPOASNKNUDSIG-UHFFFAOYSA-N -1 0 306.384 -0.572 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cc1c[nH]c2ncccc12 ZINC000833205915 601664852 /nfs/dbraw/zinc/66/48/52/601664852.db2.gz MKFLRTXBAOWCJO-LLVKDONJSA-N -1 0 316.317 -0.093 20 0 DBADRM CC(C)(CNC(=O)NCCC(=O)N1CCOCC1)C(=O)[O-] ZINC000124845839 601666774 /nfs/dbraw/zinc/66/67/74/601666774.db2.gz WEVPUNIAJJHPLG-UHFFFAOYSA-N -1 0 301.343 -0.355 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)CCCN2C(=O)CNC2=O)CCO1 ZINC000833215929 601667493 /nfs/dbraw/zinc/66/74/93/601667493.db2.gz DYAGLPVEPJNJHI-VIFPVBQESA-N -1 0 313.310 -0.980 20 0 DBADRM C[C@@]1(C(=O)N(CCN2CCOCC2)CC(=O)[O-])CCCO1 ZINC000827965817 601679317 /nfs/dbraw/zinc/67/93/17/601679317.db2.gz IVQUMQGOYDSMMC-AWEZNQCLSA-N -1 0 300.355 -0.199 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)NCC(C)(C)C(=O)[O-] ZINC000830781061 601686791 /nfs/dbraw/zinc/68/67/91/601686791.db2.gz FSPRGVWUIAHASR-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@H]2CSCCS2)nn1 ZINC000229640623 601689974 /nfs/dbraw/zinc/68/99/74/601689974.db2.gz GVWJRQZYZVAZLE-ZETCQYMHSA-N -1 0 302.381 -0.059 20 0 DBADRM C[C@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)C[C@@H]1C(=O)[O-] ZINC000828349092 601692008 /nfs/dbraw/zinc/69/20/08/601692008.db2.gz NCRIEKRZCICYDT-ONGXEEELSA-N -1 0 316.317 -0.029 20 0 DBADRM COC[C@](C)(NC(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000262068407 601693751 /nfs/dbraw/zinc/69/37/51/601693751.db2.gz IDVWZUNRJJMRMV-ZDUSSCGKSA-N -1 0 305.294 -0.118 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)C[C@@H]1C(=O)[O-] ZINC000828349271 601694182 /nfs/dbraw/zinc/69/41/82/601694182.db2.gz NTQQLPXWMXZDMS-SCZZXKLOSA-N -1 0 319.321 -0.691 20 0 DBADRM COC[C@](C)(NC(=O)CC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000262035084 601695143 /nfs/dbraw/zinc/69/51/43/601695143.db2.gz BTHAMNQTFCDBKV-NSHDSACASA-N -1 0 307.368 -0.193 20 0 DBADRM COC[C@](C)(NC(=O)[C@H](C)Sc1nncn1C)C(=O)[O-] ZINC000831596800 601698889 /nfs/dbraw/zinc/69/88/89/601698889.db2.gz KWZFJFMXERNGLY-CPCISQLKSA-N -1 0 302.356 -0.098 20 0 DBADRM COC[C@](C)(NC(=O)c1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC000345907170 601700895 /nfs/dbraw/zinc/70/08/95/601700895.db2.gz MTIVPWAQKHVMKQ-AWEZNQCLSA-N -1 0 310.306 -0.230 20 0 DBADRM CC(C)(CNC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000826561705 601709386 /nfs/dbraw/zinc/70/93/86/601709386.db2.gz JVSBOXRHZQSOQC-UHFFFAOYSA-N -1 0 318.355 -0.852 20 0 DBADRM C[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC000111251070 601711221 /nfs/dbraw/zinc/71/12/21/601711221.db2.gz DGOHVYJVVYTJAY-MWLCHTKSSA-N -1 0 318.395 -0.163 20 0 DBADRM Cn1nnnc1SCCC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000833063083 601711931 /nfs/dbraw/zinc/71/19/31/601711931.db2.gz GRRCIMOQCKDBMA-SNVBAGLBSA-N -1 0 303.319 -0.283 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)o1 ZINC000833088091 601713925 /nfs/dbraw/zinc/71/39/25/601713925.db2.gz FUOUBRIZNPVJLQ-SNVBAGLBSA-N -1 0 306.271 -0.434 20 0 DBADRM O=C([O-])C1(NC(=O)c2ccc[nH]c2=O)CCS(=O)(=O)CC1 ZINC000833129390 601719835 /nfs/dbraw/zinc/71/98/35/601719835.db2.gz KCQRDNDOGMFNGI-UHFFFAOYSA-N -1 0 314.319 -0.451 20 0 DBADRM Cc1nc(SCCC(=O)N2CCOC[C@@H]2C(=O)[O-])n[nH]1 ZINC000833021089 601721062 /nfs/dbraw/zinc/72/10/62/601721062.db2.gz HDOBMZULHJPBEY-MRVPVSSYSA-N -1 0 300.340 -0.093 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])o1 ZINC000169796696 601721793 /nfs/dbraw/zinc/72/17/93/601721793.db2.gz DQKZRPOMGGCEAO-ZETCQYMHSA-N -1 0 318.307 -0.887 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N[C@]2(C(=O)[O-])CCOC2)CC1 ZINC000832664433 601722375 /nfs/dbraw/zinc/72/23/75/601722375.db2.gz ALXZRXTVZANOBC-GFCCVEGCSA-N -1 0 305.352 -0.439 20 0 DBADRM NC(=O)Cn1cc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)nn1 ZINC000833083726 601732638 /nfs/dbraw/zinc/73/26/38/601732638.db2.gz JPXPHCVYFLBNQB-UHFFFAOYSA-N -1 0 322.252 -0.042 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)N[C@]2(C(=O)[O-])CCOC2)C1=O ZINC000387733153 601737474 /nfs/dbraw/zinc/73/74/74/601737474.db2.gz VDROVPRYIJTCDV-CHWSQXEVSA-N -1 0 313.310 -0.933 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@H](C(=O)[O-])c2ccccc2F)C1=O ZINC000830913146 601743467 /nfs/dbraw/zinc/74/34/67/601743467.db2.gz MIAIBRHRBAHWAD-LBPRGKRZSA-N -1 0 323.280 -0.038 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)nn1 ZINC000833083403 601747412 /nfs/dbraw/zinc/74/74/12/601747412.db2.gz XHMIJZKAVUQYNA-LLVKDONJSA-N -1 0 321.268 -0.542 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000054502135 601757135 /nfs/dbraw/zinc/75/71/35/601757135.db2.gz QVEQCRJPPIIGFB-SECBINFHSA-N -1 0 301.324 -0.735 20 0 DBADRM CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000830322579 601762846 /nfs/dbraw/zinc/76/28/46/601762846.db2.gz HAGIWSNRRFJOKS-QMMMGPOBSA-N -1 0 319.325 -0.219 20 0 DBADRM C[C@H]1CN(C(=S)NCCNS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000828411091 601764658 /nfs/dbraw/zinc/76/46/58/601764658.db2.gz DLBSBOAKCNRHDE-YUMQZZPRSA-N -1 0 309.413 -0.937 20 0 DBADRM C[C@@H](CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1)N1CCOCC1 ZINC000827477423 601765085 /nfs/dbraw/zinc/76/50/85/601765085.db2.gz KAAGKDUUWDOVNB-RYUDHWBXSA-N -1 0 315.370 -0.408 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NCCCC(=O)NC2CC2)CCO1 ZINC000388267198 601766943 /nfs/dbraw/zinc/76/69/43/601766943.db2.gz XNQUEEUXTDULNW-NSHDSACASA-N -1 0 313.354 -0.070 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000827541147 601771300 /nfs/dbraw/zinc/77/13/00/601771300.db2.gz KSZJNNAUGSVYMK-SECBINFHSA-N -1 0 306.384 -0.163 20 0 DBADRM C[C@H]1CN(CCNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCO1 ZINC000828448832 601772236 /nfs/dbraw/zinc/77/22/36/601772236.db2.gz HEYARLWAPOXONA-RYUDHWBXSA-N -1 0 315.370 -0.408 20 0 DBADRM COCCOCCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000234745066 601772597 /nfs/dbraw/zinc/77/25/97/601772597.db2.gz YQRFMIABUJADQZ-LLVKDONJSA-N -1 0 304.343 -0.075 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000828509165 601772769 /nfs/dbraw/zinc/77/27/69/601772769.db2.gz LRZVSAVNNISSRA-RYUDHWBXSA-N -1 0 315.370 -0.408 20 0 DBADRM CC(C)CN1CCO[C@H](CNS(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC000826886120 601774885 /nfs/dbraw/zinc/77/48/85/601774885.db2.gz QFCFUQXJQNMWPG-NWDGAFQWSA-N -1 0 322.427 -0.017 20 0 DBADRM C[C@@H](CS(=O)(=O)NCCNC(=O)c1cccnc1)C(=O)[O-] ZINC000827560079 601775780 /nfs/dbraw/zinc/77/57/80/601775780.db2.gz ZMJCAMRJBSWLLI-VIFPVBQESA-N -1 0 315.351 -0.549 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC000319257266 601775895 /nfs/dbraw/zinc/77/58/95/601775895.db2.gz YUDJOKJMCAKKOF-NEPJUHHUSA-N -1 0 315.370 -0.408 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1=O ZINC000826966531 601776052 /nfs/dbraw/zinc/77/60/52/601776052.db2.gz RKSJTFYJPWYWRQ-WDEREUQCSA-N -1 0 313.354 -0.119 20 0 DBADRM CC(C)N1C[C@H](NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1=O ZINC000826961664 601777130 /nfs/dbraw/zinc/77/71/30/601777130.db2.gz WWVSIAWSSSGOML-MNOVXSKESA-N -1 0 313.354 -0.119 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@@H](N2CCNC2=O)C1)C(=O)[O-] ZINC000827540600 601781169 /nfs/dbraw/zinc/78/11/69/601781169.db2.gz FMLULGGPTGOGLE-NXEZZACHSA-N -1 0 319.383 -0.474 20 0 DBADRM COC(=O)N1CCC(NS(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000831202803 601781364 /nfs/dbraw/zinc/78/13/64/601781364.db2.gz BCOQSVNUNUKKBS-MRVPVSSYSA-N -1 0 308.356 -0.143 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@H](N2CCNC2=O)C1)C(=O)[O-] ZINC000827540606 601781779 /nfs/dbraw/zinc/78/17/79/601781779.db2.gz FMLULGGPTGOGLE-ZJUUUORDSA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CSC[C@H]1C(=O)N(C)C)C(=O)[O-] ZINC000827547691 601785595 /nfs/dbraw/zinc/78/55/95/601785595.db2.gz VRTBHLQHLDIBMR-YUMQZZPRSA-N -1 0 310.397 -0.500 20 0 DBADRM C[C@H](CS(=O)(=O)NCCCN1C(=O)CCC1=O)C(=O)[O-] ZINC000827558388 601787952 /nfs/dbraw/zinc/78/79/52/601787952.db2.gz MFGZSNOBOTULGE-MRVPVSSYSA-N -1 0 306.340 -0.834 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@@H]1Cn1cncn1)C(=O)[O-] ZINC000827541355 601789815 /nfs/dbraw/zinc/78/98/15/601789815.db2.gz MKUDTIFXTHBWGR-NXEZZACHSA-N -1 0 302.356 -0.207 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[C@H]1Cn1cncn1)C(=O)[O-] ZINC000827541356 601789987 /nfs/dbraw/zinc/78/99/87/601789987.db2.gz MKUDTIFXTHBWGR-UWVGGRQHSA-N -1 0 302.356 -0.207 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000827533589 601790657 /nfs/dbraw/zinc/79/06/57/601790657.db2.gz RBBKUBCAWHZOTF-HLTSFMKQSA-N -1 0 315.413 -0.210 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C)C(=O)[O-] ZINC000827547540 601792873 /nfs/dbraw/zinc/79/28/73/601792873.db2.gz UZUYPDBMROLDGL-HRDYMLBCSA-N -1 0 313.397 -0.456 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@H](CN2CCOCC2)C1)C(=O)[O-] ZINC000827542950 601795091 /nfs/dbraw/zinc/79/50/91/601795091.db2.gz WXZKBOMPRIKRHT-VXGBXAGGSA-N -1 0 320.411 -0.309 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[C@@H]1CN1CCOCC1)C(=O)[O-] ZINC000827543211 601795754 /nfs/dbraw/zinc/79/57/54/601795754.db2.gz ZYAJJSXDZREJNZ-NWDGAFQWSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@@H](CS(=O)(=O)NC(C)(C)CCS(C)(=O)=O)C(=O)[O-] ZINC000827546204 601796370 /nfs/dbraw/zinc/79/63/70/601796370.db2.gz ITOSJNKBGRMDSO-QMMMGPOBSA-N -1 0 315.413 -0.160 20 0 DBADRM Cc1nc([C@H]2CN(S(=O)(=O)C[C@H](C)C(=O)[O-])CCO2)n[nH]1 ZINC000832990724 601796702 /nfs/dbraw/zinc/79/67/02/601796702.db2.gz GHLXFHDDWONRII-IONNQARKSA-N -1 0 318.355 -0.463 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN(c2cnn(C)c2)CC1)C(=O)[O-] ZINC000827547105 601797690 /nfs/dbraw/zinc/79/76/90/601797690.db2.gz RMHRSESKXZBCDR-JTQLQIEISA-N -1 0 316.383 -0.407 20 0 DBADRM COC[C@](C)(CC(=O)OC)NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000831591659 601799302 /nfs/dbraw/zinc/79/93/02/601799302.db2.gz XIIQABSSSMKBKD-KWQFWETISA-N -1 0 311.356 -0.405 20 0 DBADRM COC(=O)CC1(NS(=O)(=O)C[C@H](C)C(=O)[O-])CCOCC1 ZINC000831138612 601800038 /nfs/dbraw/zinc/80/00/38/601800038.db2.gz ASBFSXXTKKTHIE-VIFPVBQESA-N -1 0 323.367 -0.261 20 0 DBADRM O=C([O-])[C@@H]1Cc2ccccc2CN1CC(=O)N1CCNC(=O)C1 ZINC000833359357 601800222 /nfs/dbraw/zinc/80/02/22/601800222.db2.gz XPHRPIKJKNRKTI-ZDUSSCGKSA-N -1 0 317.345 -0.544 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)C(=O)[O-] ZINC000827545712 601803066 /nfs/dbraw/zinc/80/30/66/601803066.db2.gz CUXNDFHTVWDZBC-VWYCJHECSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCS(=O)(=O)C(C)(C)C1)C(=O)[O-] ZINC000827545865 601810409 /nfs/dbraw/zinc/81/04/09/601810409.db2.gz DYZWATZINKRWCA-QMMMGPOBSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@@H]1CN(Cn2cc(S(=O)(=O)N(C)C)cn2)C[C@@H]1C(=O)[O-] ZINC000828463885 601819534 /nfs/dbraw/zinc/81/95/34/601819534.db2.gz SAJYOZIJERKGLO-KOLCDFICSA-N -1 0 316.383 -0.257 20 0 DBADRM CNC(=O)N1CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000831000744 601843863 /nfs/dbraw/zinc/84/38/63/601843863.db2.gz MFTKNGXILAOIOS-NSHDSACASA-N -1 0 314.386 -0.441 20 0 DBADRM C[C@H]1CN(CCNC(=O)[C@@H]2CSCN2C(=O)[O-])CCO1 ZINC000739183762 601855109 /nfs/dbraw/zinc/85/51/09/601855109.db2.gz SRCCYRIWLDMCQE-UWVGGRQHSA-N -1 0 303.384 -0.124 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000819419206 601858676 /nfs/dbraw/zinc/85/86/76/601858676.db2.gz IHUMXPNMJFKZOY-NSHDSACASA-N -1 0 324.337 -0.018 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C(=O)Nc2cnn(C)c2)CC1 ZINC000827353999 601862423 /nfs/dbraw/zinc/86/24/23/601862423.db2.gz ALOIBCKYYSLEAN-JTQLQIEISA-N -1 0 323.353 -0.634 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1nc(COC)oc1=O)C(=O)[O-] ZINC000828728491 601868899 /nfs/dbraw/zinc/86/88/99/601868899.db2.gz KSDRKUGKWGWLJS-XVKPBYJWSA-N -1 0 301.299 -0.402 20 0 DBADRM COC(=O)CN(C(=O)Cn1cc(C(=O)[O-])nn1)C1CCCC1 ZINC000831160437 601871694 /nfs/dbraw/zinc/87/16/94/601871694.db2.gz VZSRPJZZPDSDRG-UHFFFAOYSA-N -1 0 310.310 -0.080 20 0 DBADRM CC(=O)N[C@@H](CC(=O)Nc1ccc(C(=O)[O-])c(F)c1)C(N)=O ZINC000825879090 601876505 /nfs/dbraw/zinc/87/65/05/601876505.db2.gz JARYUNOGFGLJGT-JTQLQIEISA-N -1 0 311.269 -0.158 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)NCC2(C(=O)[O-])CCCC2)O1 ZINC000833082831 601898166 /nfs/dbraw/zinc/89/81/66/601898166.db2.gz RIRVQYCVGGJSQI-VHSXEESVSA-N -1 0 313.354 -0.037 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000739723371 601904809 /nfs/dbraw/zinc/90/48/09/601904809.db2.gz LPXCLZSGQYDVEY-VIFPVBQESA-N -1 0 312.326 -0.519 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000739310916 601906129 /nfs/dbraw/zinc/90/61/29/601906129.db2.gz BTUIFMMYPSAGFL-SNVBAGLBSA-N -1 0 321.399 -0.731 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])nn1 ZINC000833083409 601906891 /nfs/dbraw/zinc/90/68/91/601906891.db2.gz XTDYTCLYILNRML-NXEZZACHSA-N -1 0 323.353 -0.083 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)CC2 ZINC000818552514 601930059 /nfs/dbraw/zinc/93/00/59/601930059.db2.gz RLTWYJOYIZTIJQ-UWVGGRQHSA-N -1 0 323.353 -0.145 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000736369273 601933802 /nfs/dbraw/zinc/93/38/02/601933802.db2.gz ICHIFWVGVPZKIN-VIFPVBQESA-N -1 0 307.372 -0.570 20 0 DBADRM O=C([O-])NC[C@H]1CCN(CC(=O)NCC(=O)N2CCCC2)C1 ZINC000740640961 601946117 /nfs/dbraw/zinc/94/61/17/601946117.db2.gz GLSLHZUSCUCIRH-LLVKDONJSA-N -1 0 312.370 -0.686 20 0 DBADRM CC(C)OC(=O)[C@H](C)N(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000826989628 601966999 /nfs/dbraw/zinc/96/69/99/601966999.db2.gz BXICBWXGZVIAJH-VIFPVBQESA-N -1 0 310.372 -0.090 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000825999595 601970163 /nfs/dbraw/zinc/97/01/63/601970163.db2.gz FHJIGDCZHDTPMK-BREBYQMCSA-N -1 0 318.395 -0.525 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)Cn1c(C)cc(O)cc1=O ZINC000831554012 601971168 /nfs/dbraw/zinc/97/11/68/601971168.db2.gz PIYYZYYFIMHPCV-CQSZACIVSA-N -1 0 312.322 -0.142 20 0 DBADRM CC(C)NC(=O)CNC(=S)N1CC[C@H](CNC(=O)[O-])C1 ZINC000738858580 601978036 /nfs/dbraw/zinc/97/80/36/601978036.db2.gz YUVLCNURARDHTJ-SECBINFHSA-N -1 0 302.400 -0.025 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NCc1cccc(C(=O)[O-])c1 ZINC000063142567 601994214 /nfs/dbraw/zinc/99/42/14/601994214.db2.gz ULYMFSURMVCMSQ-UHFFFAOYSA-N -1 0 321.376 -0.151 20 0 DBADRM Cc1oc(S(=O)(=O)NCCc2nnc[nH]2)cc1C(=O)[O-] ZINC000833027903 601995454 /nfs/dbraw/zinc/99/54/54/601995454.db2.gz ZUUATIHTLWHSQQ-UHFFFAOYSA-N -1 0 300.296 -0.075 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)OCc1ccc(C(=O)[O-])s1 ZINC000825871704 602004711 /nfs/dbraw/zinc/00/47/11/602004711.db2.gz VYYPDSCXPSWOEL-UHFFFAOYSA-N -1 0 314.319 -0.258 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC000387726779 602008381 /nfs/dbraw/zinc/00/83/81/602008381.db2.gz SNGZRFSUOUPDKR-AWEZNQCLSA-N -1 0 311.338 -0.016 20 0 DBADRM CS(=O)(=O)NCCNC(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000739989478 602011490 /nfs/dbraw/zinc/01/14/90/602011490.db2.gz AJTOUMJAJOVZQN-UHFFFAOYSA-N -1 0 322.387 -0.775 20 0 DBADRM CCN1CCN(CC(=O)N2CC[C@](C)(C(=O)[O-])C2)C(=O)C1=O ZINC000263218640 602012628 /nfs/dbraw/zinc/01/26/28/602012628.db2.gz YGSJTRJTAXDOIK-AWEZNQCLSA-N -1 0 311.338 -1.000 20 0 DBADRM Cc1cc(N2CCN3C(=O)OC[C@H]3C2)n2nc(C(=O)[O-])nc2n1 ZINC000832891021 602014532 /nfs/dbraw/zinc/01/45/32/602014532.db2.gz IEZHGBOSICUSMR-MRVPVSSYSA-N -1 0 318.293 -0.228 20 0 DBADRM CS(=O)(=O)CCNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739985702 602018115 /nfs/dbraw/zinc/01/81/15/602018115.db2.gz YCEPWXDARGGCGZ-SECBINFHSA-N -1 0 307.372 -0.280 20 0 DBADRM Cn1cc(NC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1C(=O)[O-] ZINC000833049110 602023564 /nfs/dbraw/zinc/02/35/64/602023564.db2.gz BBJBLDZNYYWBPW-WCBMZHEXSA-N -1 0 310.310 -0.122 20 0 DBADRM Cn1cc(NC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1C(=O)[O-] ZINC000833049107 602023647 /nfs/dbraw/zinc/02/36/47/602023647.db2.gz BBJBLDZNYYWBPW-PSASIEDQSA-N -1 0 310.310 -0.122 20 0 DBADRM O=C([O-])CNC(=O)CN1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000821530830 602025637 /nfs/dbraw/zinc/02/56/37/602025637.db2.gz MUCGOIPBUPOFPY-GHMZBOCLSA-N -1 0 312.322 -0.395 20 0 DBADRM CCc1n[nH]c(=O)c(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1CC ZINC000262731886 602026445 /nfs/dbraw/zinc/02/64/45/602026445.db2.gz CCIDGTQXWDCCAR-JTQLQIEISA-N -1 0 309.322 -0.180 20 0 DBADRM O=C([O-])CCCOc1ccc(NC(=O)C(=O)NCCO)cc1 ZINC000833227337 602028173 /nfs/dbraw/zinc/02/81/73/602028173.db2.gz GSIHZAAOZYXLEX-UHFFFAOYSA-N -1 0 310.306 -0.023 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000823842256 602028933 /nfs/dbraw/zinc/02/89/33/602028933.db2.gz KMNOAMROIQNRLF-BXKDBHETSA-N -1 0 306.384 -0.117 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCN2C(=O)OC[C@H]2C1)C(=O)[O-] ZINC000826786513 602030299 /nfs/dbraw/zinc/03/02/99/602030299.db2.gz OKSGCPIOHJVWIC-GHMZBOCLSA-N -1 0 313.354 -0.262 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN2C(=O)OC[C@@H]2C1)C(=O)[O-] ZINC000828715919 602030438 /nfs/dbraw/zinc/03/04/38/602030438.db2.gz DWPRKJGPNRVTNX-JBLDHEPKSA-N -1 0 313.354 -0.262 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739039242 602031396 /nfs/dbraw/zinc/03/13/96/602031396.db2.gz ZHTNZZYNRZSVLX-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739039240 602031442 /nfs/dbraw/zinc/03/14/42/602031442.db2.gz ZHTNZZYNRZSVLX-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739039911 602033207 /nfs/dbraw/zinc/03/32/07/602033207.db2.gz OBFZXJYACMCAFE-UTLUCORTSA-N -1 0 321.399 -0.181 20 0 DBADRM O=C([O-])NCC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000738651927 602035504 /nfs/dbraw/zinc/03/55/04/602035504.db2.gz QYVDYAOFUGFDQU-UHFFFAOYSA-N -1 0 307.306 -0.056 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739038379 602036363 /nfs/dbraw/zinc/03/63/63/602036363.db2.gz LBNZINTVROFKCO-DTWKUNHWSA-N -1 0 307.372 -0.475 20 0 DBADRM COC(=O)COC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739762421 602040763 /nfs/dbraw/zinc/04/07/63/602040763.db2.gz PNGNAFMVDVSANE-UHFFFAOYSA-N -1 0 312.282 -0.077 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCN3C(=O)NC[C@H]3C2)n1 ZINC000833275914 602042989 /nfs/dbraw/zinc/04/29/89/602042989.db2.gz QKYMFTBYVQUKDH-QMMMGPOBSA-N -1 0 308.298 -0.791 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(C(=O)NCCN2CCOCC2)C1 ZINC000740639967 602054304 /nfs/dbraw/zinc/05/43/04/602054304.db2.gz WSFZRIYOAGSDQI-NSHDSACASA-N -1 0 300.359 -0.382 20 0 DBADRM O=C([O-])N(CCNC(=O)NC[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000740437200 602057697 /nfs/dbraw/zinc/05/76/97/602057697.db2.gz PFHBYPAFFXWQFQ-SECBINFHSA-N -1 0 319.383 -0.137 20 0 DBADRM CC(C)N(CCC(=O)NC1CCN(CC(N)=O)CC1)C(=O)[O-] ZINC000738842560 602062472 /nfs/dbraw/zinc/06/24/72/602062472.db2.gz PWTRMKNGMDLEIW-UHFFFAOYSA-N -1 0 314.386 -0.169 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000826971309 602079752 /nfs/dbraw/zinc/07/97/52/602079752.db2.gz KIPBDZBQXCVTRD-JTQLQIEISA-N -1 0 313.354 -0.707 20 0 DBADRM CC(C)(CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1)C(N)=O ZINC000738748503 602086671 /nfs/dbraw/zinc/08/66/71/602086671.db2.gz ZDBCBCWRXXTZBT-UHFFFAOYSA-N -1 0 323.309 -0.262 20 0 DBADRM C[C@H](NC(=O)NCCS(N)(=O)=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738973778 602098579 /nfs/dbraw/zinc/09/85/79/602098579.db2.gz BFZWGHDZVBUAJR-DTWKUNHWSA-N -1 0 322.387 -0.647 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)[C@H]2CCNC(=O)C2)cc1 ZINC000833252114 602103745 /nfs/dbraw/zinc/10/37/45/602103745.db2.gz MEBPEYQOGJGBHD-JTQLQIEISA-N -1 0 319.317 -0.034 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N(C)CC(=O)N1CCOCC1 ZINC000739228909 602108400 /nfs/dbraw/zinc/10/84/00/602108400.db2.gz UMJWAVPFPFXCOR-CMPLNLGQSA-N -1 0 315.370 -0.014 20 0 DBADRM CNC(=O)CNC(=O)c1nnn(C2CCN(C(=O)[O-])CC2)c1C ZINC000739740898 602108643 /nfs/dbraw/zinc/10/86/43/602108643.db2.gz URQNVAQRBKRPCU-UHFFFAOYSA-N -1 0 324.341 -0.623 20 0 DBADRM Cc1c(C(=O)N[C@H](C)C(N)=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740039611 602110827 /nfs/dbraw/zinc/11/08/27/602110827.db2.gz GGVHRCOKDQTMMI-SSDOTTSWSA-N -1 0 324.341 -0.495 20 0 DBADRM CCCNC(=O)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737829465 602116770 /nfs/dbraw/zinc/11/67/70/602116770.db2.gz SJRUQNBHZTXSOJ-UHFFFAOYSA-N -1 0 321.333 -0.105 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)NCCNS(=O)(=O)CC ZINC000739232958 602122473 /nfs/dbraw/zinc/12/24/73/602122473.db2.gz GCQYVWXCEHAAEU-IUCAKERBSA-N -1 0 309.388 -0.276 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000830734353 602133990 /nfs/dbraw/zinc/13/39/90/602133990.db2.gz DVFZFUMWNSDWTF-NXEZZACHSA-N -1 0 319.383 -0.619 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)CC[C@@H]1CCCO1 ZINC000833208234 602141896 /nfs/dbraw/zinc/14/18/96/602141896.db2.gz XTLFYMSIRPACEE-UWVGGRQHSA-N -1 0 320.367 -0.840 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)CC[C@@H]1CCCO1 ZINC000831074255 602143287 /nfs/dbraw/zinc/14/32/87/602143287.db2.gz WHJXVHHAAXKFOZ-IUCAKERBSA-N -1 0 309.340 -0.509 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)CC[C@H]1CCCO1 ZINC000831074253 602143296 /nfs/dbraw/zinc/14/32/96/602143296.db2.gz WHJXVHHAAXKFOZ-BDAKNGLRSA-N -1 0 309.340 -0.509 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000829983756 602152288 /nfs/dbraw/zinc/15/22/88/602152288.db2.gz BJJNWYMVTPJBSN-VXGBXAGGSA-N -1 0 302.371 -0.361 20 0 DBADRM CCOC(=O)[C@H](C)N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000829822277 602155718 /nfs/dbraw/zinc/15/57/18/602155718.db2.gz DKPMPRMLCMRXJY-VIFPVBQESA-N -1 0 322.383 -0.089 20 0 DBADRM CN(CC(=O)NCCCn1nc2n(c1=O)CCCC2)C(=O)[O-] ZINC000739623826 602162037 /nfs/dbraw/zinc/16/20/37/602162037.db2.gz QFWHPRWIZYXBGW-UHFFFAOYSA-N -1 0 311.342 -0.503 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000740326194 602165968 /nfs/dbraw/zinc/16/59/68/602165968.db2.gz CLRMYZCYWVCJLD-VHSXEESVSA-N -1 0 314.342 -0.728 20 0 DBADRM CCCNC(=O)CN1CCC(NC(=O)CN(C)C(=O)[O-])CC1 ZINC000739367433 602166741 /nfs/dbraw/zinc/16/67/41/602166741.db2.gz PPTJECPZGSXHMY-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM CNC(=O)C1(C(=O)NCCCN2CCN(C(=O)[O-])CC2)CC1 ZINC000739742626 602168565 /nfs/dbraw/zinc/16/85/65/602168565.db2.gz KBVZTPKYFYINRF-UHFFFAOYSA-N -1 0 312.370 -0.686 20 0 DBADRM COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000048139447 602173440 /nfs/dbraw/zinc/17/34/40/602173440.db2.gz XUEJPZWBSAODQF-MRVPVSSYSA-N -1 0 317.319 -0.010 20 0 DBADRM CN1CCO[C@@H]2CN(S(=O)(=O)CC3(CC(=O)[O-])CC3)C[C@H]21 ZINC000830964681 602174823 /nfs/dbraw/zinc/17/48/23/602174823.db2.gz LZAMJWLDSXPQSI-GHMZBOCLSA-N -1 0 318.395 -0.414 20 0 DBADRM O=C([O-])N1CCN(CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC000738645834 602181877 /nfs/dbraw/zinc/18/18/77/602181877.db2.gz XNZLITHYBNJNNH-UHFFFAOYSA-N -1 0 312.326 -0.660 20 0 DBADRM O=C([O-])N[C@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000738655101 602187498 /nfs/dbraw/zinc/18/74/98/602187498.db2.gz UYWIXSDMQDEYAI-VIFPVBQESA-N -1 0 310.310 -0.815 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000827292102 602190776 /nfs/dbraw/zinc/19/07/76/602190776.db2.gz OYCJCJVQAXBHAS-QMMMGPOBSA-N -1 0 319.339 -0.679 20 0 DBADRM CN1CCO[C@@H]2CN(C(=O)N[C@H]3CCCN(C(=O)[O-])C3)C[C@H]21 ZINC000830966076 602196117 /nfs/dbraw/zinc/19/61/17/602196117.db2.gz XIYVDLRQZGLIFE-QJPTWQEYSA-N -1 0 312.370 -0.147 20 0 DBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)CN(C)C(=O)[O-])C1 ZINC000739832720 602196457 /nfs/dbraw/zinc/19/64/57/602196457.db2.gz UJSJHSWDPMMRRH-WDEREUQCSA-N -1 0 315.370 -0.014 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@@H](O)c1ccccc1 ZINC000088768055 602207344 /nfs/dbraw/zinc/20/73/44/602207344.db2.gz JHWZVPCSPQEIFY-LLVKDONJSA-N -1 0 302.352 -0.039 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCn2ncnn2)s1 ZINC000380047180 602210512 /nfs/dbraw/zinc/21/05/12/602210512.db2.gz KXGMRORGFXMYOR-UHFFFAOYSA-N -1 0 303.325 -0.589 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCn2ncnn2)cs1 ZINC000380088416 602210732 /nfs/dbraw/zinc/21/07/32/602210732.db2.gz UHGUDNWRMIIDKZ-UHFFFAOYSA-N -1 0 303.325 -0.589 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000739226678 602213443 /nfs/dbraw/zinc/21/34/43/602213443.db2.gz ARELZPVPKQXJOQ-KCJUWKMLSA-N -1 0 315.326 -0.830 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000739226674 602213578 /nfs/dbraw/zinc/21/35/78/602213578.db2.gz ARELZPVPKQXJOQ-GZMMTYOYSA-N -1 0 315.326 -0.830 20 0 DBADRM CN(CC(=O)OCCNC(=O)[O-])S(=O)(=O)c1cccnc1 ZINC000737407213 602216490 /nfs/dbraw/zinc/21/64/90/602216490.db2.gz ZOHJTDAXKSEVQG-UHFFFAOYSA-N -1 0 317.323 -0.487 20 0 DBADRM CC1(C)NC(=O)N(CCCC(=O)OCCNC(=O)[O-])C1=O ZINC000736738705 602216838 /nfs/dbraw/zinc/21/68/38/602216838.db2.gz VTIKYMKEHRKFNN-UHFFFAOYSA-N -1 0 301.299 -0.092 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCCS(=O)(=O)CC1CC1 ZINC000833229097 602225170 /nfs/dbraw/zinc/22/51/70/602225170.db2.gz RNHIAPDKFCHZCD-UHFFFAOYSA-N -1 0 313.397 -0.405 20 0 DBADRM CS(=O)(=O)CCNC(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000739983384 602227021 /nfs/dbraw/zinc/22/70/21/602227021.db2.gz LCVAWPWHKLQVNX-VIFPVBQESA-N -1 0 307.372 -0.280 20 0 DBADRM COc1cc(C(=O)N[C@H](C)C(=O)[O-])sc1S(N)(=O)=O ZINC000818557985 602243012 /nfs/dbraw/zinc/24/30/12/602243012.db2.gz LIDPMVFLRXQEKE-SCSAIBSYSA-N -1 0 308.337 -0.393 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@H](C)C(=O)[O-])ccc1F ZINC000769470946 602248105 /nfs/dbraw/zinc/24/81/05/602248105.db2.gz YZOBMPHICJZZMT-ZCFIWIBFSA-N -1 0 304.299 -0.063 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000818675206 602253644 /nfs/dbraw/zinc/25/36/44/602253644.db2.gz RPZAKTITXSVPKO-VGMNWLOBSA-N -1 0 302.327 -0.054 20 0 DBADRM COC(=O)c1ncn(Cc2nc(C(C)(C)NC(=O)[O-])no2)n1 ZINC000739794879 602262286 /nfs/dbraw/zinc/26/22/86/602262286.db2.gz ZYTLGISYIYOLIL-UHFFFAOYSA-N -1 0 310.270 -0.001 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1CC(=O)N1CCNC(=O)C1 ZINC000739011590 602264629 /nfs/dbraw/zinc/26/46/29/602264629.db2.gz QFAQZXVCWQVLDQ-MNOVXSKESA-N -1 0 312.370 -0.545 20 0 DBADRM CCOCCC(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739491254 602266152 /nfs/dbraw/zinc/26/61/52/602266152.db2.gz UHYLUXIRRXVISZ-UHFFFAOYSA-N -1 0 301.343 -0.306 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCCCN1CCOCC1 ZINC000740428209 602269701 /nfs/dbraw/zinc/26/97/01/602269701.db2.gz MEHZILOBYVWVJA-SNVBAGLBSA-N -1 0 303.384 -0.122 20 0 DBADRM COC(=O)CNC(=O)CN1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000739759744 602274589 /nfs/dbraw/zinc/27/45/89/602274589.db2.gz CZMICCSDORURIF-VHSXEESVSA-N -1 0 301.343 -0.214 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)NCCNC(=O)[O-])cc1 ZINC000740341068 602284461 /nfs/dbraw/zinc/28/44/61/602284461.db2.gz PCQZVAQLUGGVBQ-UHFFFAOYSA-N -1 0 301.324 -0.740 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=S)NCCN1CCOCC1 ZINC000738751977 602292550 /nfs/dbraw/zinc/29/25/50/602292550.db2.gz GQZDDOJDIKESEU-UHFFFAOYSA-N -1 0 304.416 -0.171 20 0 DBADRM C[C@H](OC(=O)c1cnccc1C(=O)[O-])C(=O)N1CCNC1=O ZINC000827866258 602286933 /nfs/dbraw/zinc/28/69/33/602286933.db2.gz AETZDQTVEGULFB-ZETCQYMHSA-N -1 0 307.262 -0.123 20 0 DBADRM O=C([O-])NCCC(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000738654928 602302033 /nfs/dbraw/zinc/30/20/33/602302033.db2.gz FOSCOAMXXMXNFH-UHFFFAOYSA-N -1 0 311.342 -0.189 20 0 DBADRM NC(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)[O-])cc1F ZINC000740331438 602302443 /nfs/dbraw/zinc/30/24/43/602302443.db2.gz LKCVDAJKXFBVSZ-UHFFFAOYSA-N -1 0 312.257 -0.753 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)[O-])CCO1 ZINC000739757339 602302690 /nfs/dbraw/zinc/30/26/90/602302690.db2.gz WYSYMOLBNWJYAF-HTQZYQBOSA-N -1 0 304.324 -0.560 20 0 DBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N=c1nc[nH]n1C ZINC000831949586 602307758 /nfs/dbraw/zinc/30/77/58/602307758.db2.gz BNPVHBPNZFUNJY-UHFFFAOYSA-N -1 0 318.336 -0.194 20 0 DBADRM CCN(CCNC(=O)Cn1nc2ccccn2c1=O)C(=O)[O-] ZINC000739425165 602314375 /nfs/dbraw/zinc/31/43/75/602314375.db2.gz LVMPXGBUQWTTRJ-UHFFFAOYSA-N -1 0 307.310 -0.388 20 0 DBADRM O=C([O-])NCCNC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000740663358 602320306 /nfs/dbraw/zinc/32/03/06/602320306.db2.gz NZYAJJLUPDHYQM-NSHDSACASA-N -1 0 300.359 -0.240 20 0 DBADRM CN(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000739623352 602323922 /nfs/dbraw/zinc/32/39/22/602323922.db2.gz FAQOEJQYOUNQLI-UHFFFAOYSA-N -1 0 301.324 -0.440 20 0 DBADRM CN(CC(=O)NCc1ccc(S(N)(=O)=O)s1)C(=O)[O-] ZINC000739624563 602323956 /nfs/dbraw/zinc/32/39/56/602323956.db2.gz RKHSAPDPCQDNCZ-UHFFFAOYSA-N -1 0 307.353 -0.379 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)c2ccccn2)CC1)C(=O)[O-] ZINC000739620353 602324442 /nfs/dbraw/zinc/32/44/42/602324442.db2.gz DEQYYXAZXJKUDW-UHFFFAOYSA-N -1 0 306.322 -0.024 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000827422714 602330072 /nfs/dbraw/zinc/33/00/72/602330072.db2.gz SRLPPEJGSXJQSP-MRVPVSSYSA-N -1 0 316.401 -0.950 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)CCCC(=O)[O-] ZINC000827422375 602330218 /nfs/dbraw/zinc/33/02/18/602330218.db2.gz QVBCAEGSBBHXIF-QMMMGPOBSA-N -1 0 301.386 -0.406 20 0 DBADRM CN(C(=O)c1cn(C)c(=O)n(C)c1=O)c1ncc(C(=O)[O-])s1 ZINC000830537842 602333235 /nfs/dbraw/zinc/33/32/35/602333235.db2.gz VOPPICWVHDNMCE-UHFFFAOYSA-N -1 0 324.318 -0.485 20 0 DBADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCCN(C)C(=O)[O-] ZINC000740272075 602341521 /nfs/dbraw/zinc/34/15/21/602341521.db2.gz CCURIPTXSPPKPP-UHFFFAOYSA-N -1 0 319.339 -0.117 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000739526137 602345288 /nfs/dbraw/zinc/34/52/88/602345288.db2.gz QSKSPVSYRRDDBY-JTQLQIEISA-N -1 0 300.359 -0.735 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000739315965 602345568 /nfs/dbraw/zinc/34/55/68/602345568.db2.gz STKRTBVTAZYJDL-LLVKDONJSA-N -1 0 314.386 -0.345 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)NCCCNC(=O)[O-])s1 ZINC000740340046 602346549 /nfs/dbraw/zinc/34/65/49/602346549.db2.gz FRTJZKJTLRLVTK-UHFFFAOYSA-N -1 0 321.380 -0.288 20 0 DBADRM CN1CC(=O)N(CCCC(=O)NCCCNC(=O)[O-])C1=O ZINC000739724394 602350204 /nfs/dbraw/zinc/35/02/04/602350204.db2.gz RBLGVRXFYIXPBN-UHFFFAOYSA-N -1 0 300.315 -0.566 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000739316203 602356839 /nfs/dbraw/zinc/35/68/39/602356839.db2.gz ZQNCPPJKDVQXQS-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000827421860 602365287 /nfs/dbraw/zinc/36/52/87/602365287.db2.gz CAGIDQRNAAKMAO-QMMMGPOBSA-N -1 0 318.355 -0.088 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)NCC)CC1 ZINC000739314636 602375960 /nfs/dbraw/zinc/37/59/60/602375960.db2.gz VJLJYUBOLKUMRM-LLVKDONJSA-N -1 0 314.386 -0.297 20 0 DBADRM CN(C)c1nc(N)nc(CN2CCC[C@H](CNC(=O)[O-])C2)n1 ZINC000739619054 602376367 /nfs/dbraw/zinc/37/63/67/602376367.db2.gz JVNUBQCBIIQMCI-SECBINFHSA-N -1 0 309.374 -0.001 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000740417677 602378019 /nfs/dbraw/zinc/37/80/19/602378019.db2.gz FOQLTKLHZASUME-JGVFFNPUSA-N -1 0 308.381 -0.410 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC1(C(N)=O)CCOCC1 ZINC000736365877 602391137 /nfs/dbraw/zinc/39/11/37/602391137.db2.gz AFBLFCAEKLGLGQ-VIFPVBQESA-N -1 0 301.343 -0.323 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@@H](O)Cc2ccccc2)nn1 ZINC000833121008 602393472 /nfs/dbraw/zinc/39/34/72/602393472.db2.gz ACCZQZAHVIEDGW-NSHDSACASA-N -1 0 304.306 -0.304 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N(CC(=O)[O-])C2CCCC2)C1=O ZINC000830894494 602399998 /nfs/dbraw/zinc/39/99/98/602399998.db2.gz KKPHBXRVTHUDGL-UHFFFAOYSA-N -1 0 311.294 -0.737 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830987743 602403231 /nfs/dbraw/zinc/40/32/31/602403231.db2.gz PASPYKJBYAVZRU-UHFFFAOYSA-N -1 0 311.269 -0.333 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)NCCCNC(=O)[O-])CC1 ZINC000739991717 602403866 /nfs/dbraw/zinc/40/38/66/602403866.db2.gz MYSAGWYCKMDNJM-UHFFFAOYSA-N -1 0 322.387 -0.679 20 0 DBADRM NS(=O)(=O)Cc1ccc(C(=O)NCCCNC(=O)[O-])cc1 ZINC000740337160 602406472 /nfs/dbraw/zinc/40/64/72/602406472.db2.gz FZBSHWBOKZEHKR-UHFFFAOYSA-N -1 0 315.351 -0.137 20 0 DBADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000739015971 602406990 /nfs/dbraw/zinc/40/69/90/602406990.db2.gz MMEZVDXSFZHIDI-MRVPVSSYSA-N -1 0 324.337 -0.006 20 0 DBADRM O=C([O-])N1CC[C@@H](CCNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC000740433644 602413745 /nfs/dbraw/zinc/41/37/45/602413745.db2.gz MJGKUJZKAJSDJM-ZJUUUORDSA-N -1 0 304.368 -0.073 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)NCCCNC(=O)[O-])CC1 ZINC000739729962 602415587 /nfs/dbraw/zinc/41/55/87/602415587.db2.gz GMCTXZHOPHXTJV-UHFFFAOYSA-N -1 0 315.374 -0.893 20 0 DBADRM CCN(C(=O)NCCCNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739379234 602422684 /nfs/dbraw/zinc/42/26/84/602422684.db2.gz AORROWDTZYOGKP-VIFPVBQESA-N -1 0 307.372 -0.137 20 0 DBADRM CC(C)N(CCCNC(=O)N1CCO[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000738848296 602423260 /nfs/dbraw/zinc/42/32/60/602423260.db2.gz HKGFKQQLKJPWOK-SNVBAGLBSA-N -1 0 316.358 -0.339 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCNC(=O)[O-])ccc1C(N)=O ZINC000740080998 602426065 /nfs/dbraw/zinc/42/60/65/602426065.db2.gz ZEFQVVSLLPIMFF-UHFFFAOYSA-N -1 0 308.294 -0.584 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@](C)(CNC(=O)[O-])C2CC2)c1=O ZINC000740275261 602428942 /nfs/dbraw/zinc/42/89/42/602428942.db2.gz MGMSWVKJFVBSKU-CQSZACIVSA-N -1 0 324.337 -0.901 20 0 DBADRM CS(=O)(=O)CCNC(=S)NCCN(C(=O)[O-])C1CC1 ZINC000739981832 602430644 /nfs/dbraw/zinc/43/06/44/602430644.db2.gz COLDIFLXLGZGJR-UHFFFAOYSA-N -1 0 309.413 -0.363 20 0 DBADRM CN(CCNC(=O)N1CCC(N2CCNC2=O)CC1)C(=O)[O-] ZINC000739695541 602443922 /nfs/dbraw/zinc/44/39/22/602443922.db2.gz UYEFLZZFZICOAA-UHFFFAOYSA-N -1 0 313.358 -0.205 20 0 DBADRM CCN(CCNC(=O)NCCS(=O)(=O)NC(C)C)C(=O)[O-] ZINC000739431327 602447095 /nfs/dbraw/zinc/44/70/95/602447095.db2.gz NYBOXTVCELSERJ-UHFFFAOYSA-N -1 0 324.403 -0.387 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738168050 602449152 /nfs/dbraw/zinc/44/91/52/602449152.db2.gz VUASDYUDPKTPIH-UHFFFAOYSA-N -1 0 319.321 -0.304 20 0 DBADRM Cn1cccc(C(=O)NCCCN2CCN(C(=O)[O-])CC2)c1=O ZINC000740295867 602453373 /nfs/dbraw/zinc/45/33/73/602453373.db2.gz SKOUMQDTBIFOGH-UHFFFAOYSA-N -1 0 322.365 -0.199 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)CN(C)S(C)(=O)=O ZINC000738809083 602454498 /nfs/dbraw/zinc/45/44/98/602454498.db2.gz WZEWMNWHVBBXHE-SECBINFHSA-N -1 0 309.388 -0.324 20 0 DBADRM O=C([O-])N1CC[C@H](CCNC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000740499268 602457724 /nfs/dbraw/zinc/45/77/24/602457724.db2.gz FOQNVZIAZNBMOL-JTQLQIEISA-N -1 0 319.383 -0.184 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000738525809 602459538 /nfs/dbraw/zinc/45/95/38/602459538.db2.gz ZODPIILUGBCFIY-LBPRGKRZSA-N -1 0 312.370 -0.591 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)NCCN1CCN(C(C)=O)CC1 ZINC000739318163 602459879 /nfs/dbraw/zinc/45/98/79/602459879.db2.gz XZSGKAMTQFVUMB-GFCCVEGCSA-N -1 0 314.386 -0.297 20 0 DBADRM Cn1nnnc1SCCC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740303422 602468889 /nfs/dbraw/zinc/46/88/89/602468889.db2.gz JLHGLBAEMZCINM-SSDOTTSWSA-N -1 0 300.344 -0.439 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCCN(C(N)=O)CC1 ZINC000739999231 602470937 /nfs/dbraw/zinc/47/09/37/602470937.db2.gz QGMFKIXXEZUPQI-VIFPVBQESA-N -1 0 318.399 -0.011 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC000740389881 602471466 /nfs/dbraw/zinc/47/14/66/602471466.db2.gz YJEMTRGRIJMPKP-SECBINFHSA-N -1 0 305.294 -0.636 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000738986243 602473602 /nfs/dbraw/zinc/47/36/02/602473602.db2.gz LQBYZSXTWFFOSV-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000738986248 602473621 /nfs/dbraw/zinc/47/36/21/602473621.db2.gz LQBYZSXTWFFOSV-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740368138 602478691 /nfs/dbraw/zinc/47/86/91/602478691.db2.gz MNTXFLISWDINKE-VIFPVBQESA-N -1 0 324.337 -0.281 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1)C(=O)[O-] ZINC000739642655 602480049 /nfs/dbraw/zinc/48/00/49/602480049.db2.gz BFKSQYVUOXQTOH-VIFPVBQESA-N -1 0 312.326 -0.661 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739838212 602486245 /nfs/dbraw/zinc/48/62/45/602486245.db2.gz OKIQPTUNAHSJIA-SNVBAGLBSA-N -1 0 322.383 -0.494 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000739621299 602493667 /nfs/dbraw/zinc/49/36/67/602493667.db2.gz AQGZHSOUMOUVBL-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)[C@H]1COCCO1 ZINC000739686129 602495396 /nfs/dbraw/zinc/49/53/96/602495396.db2.gz YHEMAUDBZBCKQB-LLVKDONJSA-N -1 0 301.343 -0.844 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000739521313 602496767 /nfs/dbraw/zinc/49/67/67/602496767.db2.gz PMYIHHJNILITDX-VIFPVBQESA-N -1 0 307.372 -0.440 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000736359697 602500872 /nfs/dbraw/zinc/50/08/72/602500872.db2.gz AQPPREZHXPTSSC-NXEZZACHSA-N -1 0 321.399 -0.194 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000736326246 602500952 /nfs/dbraw/zinc/50/09/52/602500952.db2.gz QZQQIAZALUKXNU-QMMMGPOBSA-N -1 0 307.372 -0.440 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000739526215 602501030 /nfs/dbraw/zinc/50/10/30/602501030.db2.gz UWDXFVINGSBJSQ-BDAKNGLRSA-N -1 0 307.372 -0.440 20 0 DBADRM C[C@@](CNC(=O)[O-])(NC(=O)CN1CCCS1(=O)=O)C1CC1 ZINC000738923801 602503523 /nfs/dbraw/zinc/50/35/23/602503523.db2.gz GHGJVHINSMBHNS-LBPRGKRZSA-N -1 0 319.383 -0.426 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000739513447 602508486 /nfs/dbraw/zinc/50/84/86/602508486.db2.gz CHSJYRXQTNEFEY-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM C[C@](CNC(=O)[O-])(NC(=O)CCNS(C)(=O)=O)C1CC1 ZINC000738923190 602507041 /nfs/dbraw/zinc/50/70/41/602507041.db2.gz FHOGCZSFFYTJFZ-LLVKDONJSA-N -1 0 307.372 -0.522 20 0 DBADRM O=C([O-])N1CCCC[C@@H]1C(=O)NCCN1CCCS1(=O)=O ZINC000740440723 602508864 /nfs/dbraw/zinc/50/88/64/602508864.db2.gz VDGMQHZLOZETEJ-SNVBAGLBSA-N -1 0 319.383 -0.329 20 0 DBADRM CN1C(=O)N[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(=O)[O-])C2)C1=O ZINC000739723836 602510045 /nfs/dbraw/zinc/51/00/45/602510045.db2.gz OAGDHMJIAJPNRI-YMTOWFKASA-N -1 0 324.337 -0.328 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)CS(=O)(=O)NC(C)(C)C ZINC000738928955 602525050 /nfs/dbraw/zinc/52/50/50/602525050.db2.gz JNTSVWWTZQNQSW-MRVPVSSYSA-N -1 0 309.388 -0.181 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000738067484 602527318 /nfs/dbraw/zinc/52/73/18/602527318.db2.gz HZFJJEHYMGQTBQ-UHFFFAOYSA-N -1 0 322.383 -0.352 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)CN1CCCS1(=O)=O ZINC000738809199 602528150 /nfs/dbraw/zinc/52/81/50/602528150.db2.gz YASIDPKJEVZPTB-SNVBAGLBSA-N -1 0 321.399 -0.180 20 0 DBADRM O=C(CCc1nc(-c2nc[nH]n2)no1)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740364381 602532958 /nfs/dbraw/zinc/53/29/58/602532958.db2.gz UFHPZBBQKZRQGQ-ZETCQYMHSA-N -1 0 321.297 -0.344 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N[C@@H]1CCN(C(=O)[O-])C1)n1cccn1 ZINC000738599246 602535855 /nfs/dbraw/zinc/53/58/55/602535855.db2.gz DROLGXJIFHCSIE-WDEREUQCSA-N -1 0 323.353 -0.229 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)N1CCC(N(C)C(=O)[O-])CC1 ZINC000738035704 602536047 /nfs/dbraw/zinc/53/60/47/602536047.db2.gz PWTHRMZFLGBEPL-VIFPVBQESA-N -1 0 301.343 -0.262 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000737929354 602548564 /nfs/dbraw/zinc/54/85/64/602548564.db2.gz LSZAIUYWMLSWSF-UHFFFAOYSA-N -1 0 324.337 -0.473 20 0 DBADRM CCN(CCNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000739433426 602552260 /nfs/dbraw/zinc/55/22/60/602552260.db2.gz FCIRDOJWUALQCM-UHFFFAOYSA-N -1 0 318.355 -0.598 20 0 DBADRM CN1CCO[C@H](CNC(=O)N2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000738019813 602554549 /nfs/dbraw/zinc/55/45/49/602554549.db2.gz AIQYLEUVXAOAHY-WDEREUQCSA-N -1 0 300.359 -0.241 20 0 DBADRM COCCN(C)S(=O)(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000739812239 602563545 /nfs/dbraw/zinc/56/35/45/602563545.db2.gz GIIXTDOEACUSHS-SNVBAGLBSA-N -1 0 309.388 -0.211 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)CC(=O)NCC(=O)NC(C)(C)C ZINC000738943185 602559593 /nfs/dbraw/zinc/55/95/93/602559593.db2.gz ZMRUICNFYLYDCB-SECBINFHSA-N -1 0 302.375 -0.395 20 0 DBADRM COCCN(C)S(=O)(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000739814612 602563234 /nfs/dbraw/zinc/56/32/34/602563234.db2.gz VEERQLHXINWDQB-JTQLQIEISA-N -1 0 309.388 -0.069 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000739196159 602566670 /nfs/dbraw/zinc/56/66/70/602566670.db2.gz VFEYCSTWZXCBMA-OPRDCNLKSA-N -1 0 309.388 -0.072 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)NC)CC1 ZINC000739241786 602566882 /nfs/dbraw/zinc/56/68/82/602566882.db2.gz ZSKQKFQHCAVYCY-PWSUYJOCSA-N -1 0 314.386 -0.441 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)NC)CC1 ZINC000739309536 602566889 /nfs/dbraw/zinc/56/68/89/602566889.db2.gz GUCAFCRQGFKKAB-SNVBAGLBSA-N -1 0 300.359 -0.687 20 0 DBADRM CC(C)(CNC(=O)N[C@H]1CCN(C(=O)[O-])C1)NS(C)(=O)=O ZINC000738751452 602578298 /nfs/dbraw/zinc/57/82/98/602578298.db2.gz WIPHJLJALYBIFX-QMMMGPOBSA-N -1 0 322.387 -0.634 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739599913 602581512 /nfs/dbraw/zinc/58/15/12/602581512.db2.gz LKLCLRONDULRHF-JTQLQIEISA-N -1 0 313.358 -0.253 20 0 DBADRM NC(=O)NC[C@H]1CCCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000740331151 602582817 /nfs/dbraw/zinc/58/28/17/602582817.db2.gz FSYITVCQWNSLMD-ZJUUUORDSA-N -1 0 313.358 -0.171 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)Cn1nc2ccccn2c1=O ZINC000740388165 602586386 /nfs/dbraw/zinc/58/63/86/602586386.db2.gz JGTCTXNLVJSLJV-SNVBAGLBSA-N -1 0 319.321 -0.245 20 0 DBADRM Cc1nc(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c[nH]1 ZINC000740207389 602589262 /nfs/dbraw/zinc/58/92/62/602589262.db2.gz MQSRGEVPDLMGTO-JTQLQIEISA-N -1 0 323.353 -0.046 20 0 DBADRM COCCS(=O)(=O)CC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000739838909 602589750 /nfs/dbraw/zinc/58/97/50/602589750.db2.gz RXOHHLKSOSITPI-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000739576661 602590828 /nfs/dbraw/zinc/59/08/28/602590828.db2.gz DLQOVQDOHZSXGD-VIFPVBQESA-N -1 0 312.326 -0.471 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740289959 602593616 /nfs/dbraw/zinc/59/36/16/602593616.db2.gz LRDHUZUEYZIKHK-SSDOTTSWSA-N -1 0 316.339 -0.845 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNC(=O)N1CCS(=O)(=O)CC1 ZINC000740414599 602602288 /nfs/dbraw/zinc/60/22/88/602602288.db2.gz CILMZCPZZRKUOO-VIFPVBQESA-N -1 0 305.356 -0.431 20 0 DBADRM CN(C[C@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000739652924 602608595 /nfs/dbraw/zinc/60/85/95/602608595.db2.gz XHZNJEAGLVOTDY-ZJUUUORDSA-N -1 0 319.383 -0.185 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NCCC(=O)N1CCOCC1 ZINC000738925446 602614100 /nfs/dbraw/zinc/61/41/00/602614100.db2.gz HQZJVCRHQSPJIW-SNVBAGLBSA-N -1 0 316.358 -0.467 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000739516200 602617181 /nfs/dbraw/zinc/61/71/81/602617181.db2.gz QQBZYIZJKHKIHS-MRVPVSSYSA-N -1 0 310.376 -0.777 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NCCN2CCCS2(=O)=O)C1 ZINC000740438465 602624239 /nfs/dbraw/zinc/62/42/39/602624239.db2.gz HMFVZJKIFTZOIO-VIFPVBQESA-N -1 0 320.371 -0.927 20 0 DBADRM CCN(C(=O)NCCN(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739380255 602632903 /nfs/dbraw/zinc/63/29/03/602632903.db2.gz IPWQWVPDEFYYAD-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NC[C@@H](O)COCC2CC2)C1 ZINC000740404009 602633313 /nfs/dbraw/zinc/63/33/13/602633313.db2.gz GVBLMLMTNFYICR-WDEREUQCSA-N -1 0 301.343 -0.175 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739755504 602633398 /nfs/dbraw/zinc/63/33/98/602633398.db2.gz JGDPWDGIBRDLJH-IUCAKERBSA-N -1 0 301.299 -0.678 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)N1CCN(C(=O)[O-])CC1 ZINC000736823970 602633868 /nfs/dbraw/zinc/63/38/68/602633868.db2.gz ZOKISCGWVUSPOZ-LLVKDONJSA-N -1 0 300.359 -0.288 20 0 DBADRM COC(=O)N1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739777548 602634750 /nfs/dbraw/zinc/63/47/50/602634750.db2.gz VTIXPTDWIXGEGO-VIFPVBQESA-N -1 0 300.315 -0.168 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)N[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000739748109 602635320 /nfs/dbraw/zinc/63/53/20/602635320.db2.gz HLHODHOMIHXQNE-QMMMGPOBSA-N -1 0 310.314 -0.497 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCCCN1C(=O)CNC1=O ZINC000740429651 602639995 /nfs/dbraw/zinc/63/99/95/602639995.db2.gz JUOAGISQMLQQRC-SSDOTTSWSA-N -1 0 316.339 -0.903 20 0 DBADRM O=C([O-])N1CCCC[C@@H]1C(=O)NCCCN1C(=O)CNC1=O ZINC000740431544 602640212 /nfs/dbraw/zinc/64/02/12/602640212.db2.gz REFYRZMXHLYAPN-SECBINFHSA-N -1 0 312.326 -0.423 20 0 DBADRM O=C(Cn1ccc(=O)[nH]c1=O)NCC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740387304 602642383 /nfs/dbraw/zinc/64/23/83/602642383.db2.gz DVPZFKKOXLCOHS-JTQLQIEISA-N -1 0 324.337 -0.155 20 0 DBADRM COc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000739916078 602648589 /nfs/dbraw/zinc/64/85/89/602648589.db2.gz QFNLVWVHSGXHTO-VIFPVBQESA-N -1 0 308.294 -0.103 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000740335208 602650295 /nfs/dbraw/zinc/65/02/95/602650295.db2.gz IYZUKRQVPPHPCG-JTQLQIEISA-N -1 0 320.305 -0.408 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NCC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739034438 602652376 /nfs/dbraw/zinc/65/23/76/602652376.db2.gz AASZQQKEMBYHHS-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NCC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739034444 602652481 /nfs/dbraw/zinc/65/24/81/602652481.db2.gz AASZQQKEMBYHHS-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM CCN(C(=O)COCCNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739381877 602659267 /nfs/dbraw/zinc/65/92/67/602659267.db2.gz PZHHXSUQQQVBHK-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCN(CC(F)(F)F)CC1 ZINC000740666918 602659525 /nfs/dbraw/zinc/65/95/25/602659525.db2.gz ICQKIQZQYRAIOT-UHFFFAOYSA-N -1 0 313.276 -0.023 20 0 DBADRM CN(CCOC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000738002990 602659641 /nfs/dbraw/zinc/65/96/41/602659641.db2.gz TXRMWMVOGZJKJT-UHFFFAOYSA-N -1 0 309.344 -0.945 20 0 DBADRM CCCN(C(=O)COCCNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739345335 602659747 /nfs/dbraw/zinc/65/97/47/602659747.db2.gz RXEHIBRYYBAMOH-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM CC(=O)NC[C@H]1CCCN(C(=O)COCCNC(=O)[O-])C1 ZINC000738553867 602663240 /nfs/dbraw/zinc/66/32/40/602663240.db2.gz XYPNQVFRVCHYRH-LLVKDONJSA-N -1 0 301.343 -0.355 20 0 DBADRM C[C@@](NC(=O)COCCNC(=O)[O-])(C(N)=O)c1ccccc1 ZINC000738964769 602663925 /nfs/dbraw/zinc/66/39/25/602663925.db2.gz FCFZOZYWDPXILM-AWEZNQCLSA-N -1 0 309.322 -0.213 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000740663090 602664634 /nfs/dbraw/zinc/66/46/34/602664634.db2.gz DUDXPOFWQYJNON-JTQLQIEISA-N -1 0 302.327 -0.118 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000738995623 602664825 /nfs/dbraw/zinc/66/48/25/602664825.db2.gz OAQYHWPMRIFKGN-XVKPBYJWSA-N -1 0 321.289 -0.001 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(N)=NOCC(=O)N1CCOCC1 ZINC000738912738 602671176 /nfs/dbraw/zinc/67/11/76/602671176.db2.gz WFODEBVHCILQIF-SECBINFHSA-N -1 0 302.331 -0.410 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(N)=NOCC(=O)N1CCO[C@H](C)C1 ZINC000739130274 602672510 /nfs/dbraw/zinc/67/25/10/602672510.db2.gz BWULVPRVGCGCLF-NXEZZACHSA-N -1 0 316.358 -0.022 20 0 DBADRM O=C([O-])NCCNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000740663926 602673500 /nfs/dbraw/zinc/67/35/00/602673500.db2.gz WZPIUALOMJZFEH-LURJTMIESA-N -1 0 312.248 -0.284 20 0 DBADRM Cn1cc(/C=C\C(=O)O[C@@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740286086 602681651 /nfs/dbraw/zinc/68/16/51/602681651.db2.gz BKSYBVPVJCSEGW-UMBAGQNISA-N -1 0 323.305 -0.607 20 0 DBADRM CCN(C1CCN(C(=O)CCNC(=O)[O-])CC1)S(C)(=O)=O ZINC000737069486 602687930 /nfs/dbraw/zinc/68/79/30/602687930.db2.gz WVEBVZJDXSOHDM-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000738994583 602687993 /nfs/dbraw/zinc/68/79/93/602687993.db2.gz MTSNCQJHOZLBCA-SNVBAGLBSA-N -1 0 311.342 -0.190 20 0 DBADRM CCN(C1CCN(C(=O)[C@H](C)NC(=O)[O-])CC1)S(C)(=O)=O ZINC000739386182 602688365 /nfs/dbraw/zinc/68/83/65/602688365.db2.gz WVOGUNRHZLULBN-VIFPVBQESA-N -1 0 321.399 -0.085 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000736418875 602689736 /nfs/dbraw/zinc/68/97/36/602689736.db2.gz CNLOLGBFMLZRKJ-RKDXNWHRSA-N -1 0 307.372 -0.442 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000738444081 602689766 /nfs/dbraw/zinc/68/97/66/602689766.db2.gz ABAVVLWVPOIEKL-IUCAKERBSA-N -1 0 305.356 -0.734 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000739219558 602689813 /nfs/dbraw/zinc/68/98/13/602689813.db2.gz AAICRPSHQDIIDY-YIZRAAEISA-N -1 0 307.372 -0.442 20 0 DBADRM COCCNC(=O)CNC(=O)c1csc(CNC(=O)[O-])n1 ZINC000739834079 602706731 /nfs/dbraw/zinc/70/67/31/602706731.db2.gz ZUWXMSGIJIXDIB-UHFFFAOYSA-N -1 0 316.339 -0.597 20 0 DBADRM CCN(CCNC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC000739423813 602711209 /nfs/dbraw/zinc/71/12/09/602711209.db2.gz COAMSFFPKXYCLZ-UHFFFAOYSA-N -1 0 308.298 -0.993 20 0 DBADRM COC1(C(=O)NCCc2nncn2C)CCN(C(=O)[O-])CC1 ZINC000739797755 602712565 /nfs/dbraw/zinc/71/25/65/602712565.db2.gz RISUYLQKYNWFSO-UHFFFAOYSA-N -1 0 311.342 -0.367 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000737857161 602728680 /nfs/dbraw/zinc/72/86/80/602728680.db2.gz BDJKZGPVTITJNC-SECBINFHSA-N -1 0 307.372 -0.568 20 0 DBADRM CS(=O)(=O)CCNC(=S)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000739983240 602725806 /nfs/dbraw/zinc/72/58/06/602725806.db2.gz IAVDACKPEPJVDF-VIFPVBQESA-N -1 0 323.440 -0.115 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)CCN(C(=O)[O-])C(C)C ZINC000739466987 602728962 /nfs/dbraw/zinc/72/89/62/602728962.db2.gz YLIAWQJKVUMRKS-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000738993734 602729236 /nfs/dbraw/zinc/72/92/36/602729236.db2.gz GTQPLCIUJPXWNA-VIFPVBQESA-N -1 0 321.399 -0.732 20 0 DBADRM CN(CC(=O)NC1CCN(CCS(C)(=O)=O)CC1)C(=O)[O-] ZINC000739623091 602729316 /nfs/dbraw/zinc/72/93/16/602729316.db2.gz AITGTRUAKZLCSM-UHFFFAOYSA-N -1 0 321.399 -0.779 20 0 DBADRM COCCn1nc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C)ccc1=O ZINC000739843537 602731529 /nfs/dbraw/zinc/73/15/29/602731529.db2.gz VFFXTFOGULOXQJ-JTQLQIEISA-N -1 0 324.337 -0.286 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCCN1C(=O)CNC1=O ZINC000739146916 602731829 /nfs/dbraw/zinc/73/18/29/602731829.db2.gz GJFNULXILUXICN-VIFPVBQESA-N -1 0 312.326 -0.471 20 0 DBADRM COC1(C(=O)N[C@H]2CCc3ncnn3C2)CCN(C(=O)[O-])CC1 ZINC000739798844 602734884 /nfs/dbraw/zinc/73/48/84/602734884.db2.gz LNYXTWREGRNNLM-JTQLQIEISA-N -1 0 323.353 -0.132 20 0 DBADRM NS(=O)(=O)c1cccnc1N1CC[C@@H](CNC(=O)[O-])C1 ZINC000740340770 602749072 /nfs/dbraw/zinc/74/90/72/602749072.db2.gz AAWFMGOFBJUDDV-QMMMGPOBSA-N -1 0 300.340 -0.177 20 0 DBADRM NS(=O)(=O)c1cccnc1N1CCCN(C(=O)[O-])CC1 ZINC000740341193 602749095 /nfs/dbraw/zinc/74/90/95/602749095.db2.gz CEEMUBQKAIZOOM-UHFFFAOYSA-N -1 0 300.340 -0.081 20 0 DBADRM CCN(CCNC(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000739429733 602749832 /nfs/dbraw/zinc/74/98/32/602749832.db2.gz ACGOQAOYGNYTCM-UHFFFAOYSA-N -1 0 324.403 -0.387 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000739466663 602750484 /nfs/dbraw/zinc/75/04/84/602750484.db2.gz VWIWNDHSNPKTAG-VIFPVBQESA-N -1 0 322.387 -0.681 20 0 DBADRM Cc1nn(C)c(C)c1CN1CCN(C(=O)CNC(=O)[O-])CC1 ZINC000738375793 602758517 /nfs/dbraw/zinc/75/85/17/602758517.db2.gz PXZBWITYZIFEDU-UHFFFAOYSA-N -1 0 309.370 -0.051 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000739838270 602761940 /nfs/dbraw/zinc/76/19/40/602761940.db2.gz PBEYLRMQWYQMBS-UWVGGRQHSA-N -1 0 322.383 -0.400 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000824382899 602763513 /nfs/dbraw/zinc/76/35/13/602763513.db2.gz UGVFFLAGITXYLL-SNVBAGLBSA-N -1 0 321.399 -0.037 20 0 DBADRM CN(CCNC(=O)C(=O)Nc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000739689300 602768542 /nfs/dbraw/zinc/76/85/42/602768542.db2.gz BEMLJGSJEITPIW-UHFFFAOYSA-N -1 0 308.294 -0.550 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739760580 602769449 /nfs/dbraw/zinc/76/94/49/602769449.db2.gz HLJYRBQNMKJHRM-UTLUCORTSA-N -1 0 301.343 -0.358 20 0 DBADRM CC(C)[C@H](CNC(=O)CCCN1C(=O)CNC1=O)NC(=O)[O-] ZINC000738778859 602775394 /nfs/dbraw/zinc/77/53/94/602775394.db2.gz SDLGVGVGCYNDKC-VIFPVBQESA-N -1 0 314.342 -0.273 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)[C@@H](CNC(=O)[O-])c2ccccc2)CCO1 ZINC000831177896 602776015 /nfs/dbraw/zinc/77/60/15/602776015.db2.gz CMIBZYVITUSBKT-NWDGAFQWSA-N -1 0 321.333 -0.250 20 0 DBADRM CC(C)(C(=O)NCCN1CCN(C(=O)[O-])CC1)S(C)(=O)=O ZINC000738659898 602777298 /nfs/dbraw/zinc/77/72/98/602777298.db2.gz TZVWMBJOGKIWAM-UHFFFAOYSA-N -1 0 321.399 -0.779 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCCN1CCOCC1)NC(=O)[O-] ZINC000738782189 602794246 /nfs/dbraw/zinc/79/42/46/602794246.db2.gz OYTNTNFMKZGGLJ-LLVKDONJSA-N -1 0 302.375 -0.090 20 0 DBADRM CN1C(=O)N[C@@]2(CCN(C(=O)C[C@H]3CCCN3C(=O)[O-])C2)C1=O ZINC000828446331 602794862 /nfs/dbraw/zinc/79/48/62/602794862.db2.gz VMTKRLBOPJHTQE-YMTOWFKASA-N -1 0 324.337 -0.328 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000739813299 602795755 /nfs/dbraw/zinc/79/57/55/602795755.db2.gz NMQXMJTVMFNXSY-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM C[C@H](NC(=O)c1cn(CC(N)=O)nn1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825466574 602801213 /nfs/dbraw/zinc/80/12/13/602801213.db2.gz TVFXHOPVPWXXCK-IUCAKERBSA-N -1 0 324.341 -0.728 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NC1CCN(CC(N)=O)CC1 ZINC000736366828 602820676 /nfs/dbraw/zinc/82/06/76/602820676.db2.gz XGYMEHOYVVKCBG-NSHDSACASA-N -1 0 300.359 -0.656 20 0 DBADRM CC(=O)N1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000738525520 602820874 /nfs/dbraw/zinc/82/08/74/602820874.db2.gz XMIHQQPTFPOEEC-LBPRGKRZSA-N -1 0 313.354 -0.164 20 0 DBADRM NC(=O)[C@@H]1CCCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC000740327716 602826698 /nfs/dbraw/zinc/82/66/98/602826698.db2.gz OSWHKAGQZZNPCU-MNOVXSKESA-N -1 0 313.354 -0.131 20 0 DBADRM N=C1NC(=O)C(CC(=O)NCCN(C(=O)[O-])C2CC2)S1 ZINC000831239656 602827688 /nfs/dbraw/zinc/82/76/88/602827688.db2.gz JIFPLQMASPGHRB-ZETCQYMHSA-N -1 0 300.340 -0.199 20 0 DBADRM CCN(CC)C(=O)CN(C)C(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739404485 602829057 /nfs/dbraw/zinc/82/90/57/602829057.db2.gz XMRYPHFCWUOLKT-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NCCNC(=O)[O-])C1 ZINC000739984786 602830130 /nfs/dbraw/zinc/83/01/30/602830130.db2.gz RZABYESNFNRZQK-IUCAKERBSA-N -1 0 307.372 -0.091 20 0 DBADRM CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739621955 602830244 /nfs/dbraw/zinc/83/02/44/602830244.db2.gz PTWAZECRACZADK-VIFPVBQESA-N -1 0 301.343 -0.262 20 0 DBADRM CCNC(=O)N1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739458738 602831817 /nfs/dbraw/zinc/83/18/17/602831817.db2.gz DYLWLTQDQYQGLH-JTQLQIEISA-N -1 0 314.342 -0.761 20 0 DBADRM COc1ccc(C(=O)N(C)CCN2CCN(C(=O)[O-])CC2)nn1 ZINC000739881194 602834210 /nfs/dbraw/zinc/83/42/10/602834210.db2.gz RVKREFHBQKCZPL-UHFFFAOYSA-N -1 0 323.353 -0.147 20 0 DBADRM CC(C)(CCC(=O)N1CC[C@H](S(N)(=O)=O)C1)NC(=O)[O-] ZINC000738738846 602835859 /nfs/dbraw/zinc/83/58/59/602835859.db2.gz LQGXAZZAEPCOMC-QMMMGPOBSA-N -1 0 307.372 -0.298 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739720708 602836672 /nfs/dbraw/zinc/83/66/72/602836672.db2.gz CISSWTZGNUVZCW-VIFPVBQESA-N -1 0 309.326 -0.439 20 0 DBADRM CC(C)(CCC(=O)N1CC[C@]2(C1)NC(=O)NC2=O)NC(=O)[O-] ZINC000738739305 602838811 /nfs/dbraw/zinc/83/88/11/602838811.db2.gz OPHAWQWXXGKDES-CYBMUJFWSA-N -1 0 312.326 -0.377 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CCO[C@H](C(N)=O)C1)NC(=O)[O-] ZINC000738783513 602842075 /nfs/dbraw/zinc/84/20/75/602842075.db2.gz HHXUERYLHAPSPG-BDAKNGLRSA-N -1 0 302.331 -0.826 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000738798079 602843751 /nfs/dbraw/zinc/84/37/51/602843751.db2.gz RYJOAZQJQAAEAQ-IUCAKERBSA-N -1 0 307.372 -0.571 20 0 DBADRM Cn1cnnc1[C@H]1CCCN(C(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000740292852 602843997 /nfs/dbraw/zinc/84/39/97/602843997.db2.gz AJRUNXPNKOFUAL-WDEREUQCSA-N -1 0 323.353 -0.100 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C[C@H]2CCCN2C(=O)[O-])CCO1 ZINC000828639857 602845536 /nfs/dbraw/zinc/84/55/36/602845536.db2.gz IJLGYQNYBVVGBB-NXEZZACHSA-N -1 0 300.311 -0.081 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000738910948 602846124 /nfs/dbraw/zinc/84/61/24/602846124.db2.gz IZWVCEAWGYMPOP-GHMZBOCLSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000738910950 602846209 /nfs/dbraw/zinc/84/62/09/602846209.db2.gz IZWVCEAWGYMPOP-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H](NC(=O)[O-])C(C)C)CCO1 ZINC000739754881 602847752 /nfs/dbraw/zinc/84/77/52/602847752.db2.gz ALRVGOIJWSISLT-ZJUUUORDSA-N -1 0 317.342 -0.138 20 0 DBADRM O=C([O-])N(CC(=O)NCCCn1cncn1)C[C@@H]1CCCO1 ZINC000740362377 602850277 /nfs/dbraw/zinc/85/02/77/602850277.db2.gz FJRJDGHOCDHGIW-NSHDSACASA-N -1 0 311.342 -0.057 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)NCCN1C(=O)CNC1=O ZINC000739235613 602850699 /nfs/dbraw/zinc/85/06/99/602850699.db2.gz JAPDOIUCLBJNOJ-APPZFPTMSA-N -1 0 300.315 -0.663 20 0 DBADRM CC(C)N(CCC(=O)NCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000738842192 602850969 /nfs/dbraw/zinc/85/09/69/602850969.db2.gz LZQUTNUOZBILBP-UHFFFAOYSA-N -1 0 300.315 -0.567 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000738946773 602851227 /nfs/dbraw/zinc/85/12/27/602851227.db2.gz UANCPJXQISEVHR-MNOVXSKESA-N -1 0 311.342 -0.058 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739247267 602853545 /nfs/dbraw/zinc/85/35/45/602853545.db2.gz VDLPTLRZPCDKMO-UWVGGRQHSA-N -1 0 301.343 -0.214 20 0 DBADRM O=C([O-])N[C@H](C(=O)NCCN1C(=O)CNC1=O)c1ccccc1 ZINC000740690380 602851633 /nfs/dbraw/zinc/85/16/33/602851633.db2.gz ULWSIRHETKDROC-NSHDSACASA-N -1 0 320.305 -0.337 20 0 DBADRM O=C(CC1CCN(C(=O)[O-])CC1)NCCN1C(=O)CNC1=O ZINC000740350570 602851664 /nfs/dbraw/zinc/85/16/64/602851664.db2.gz NMBYTXUAQVEWCR-UHFFFAOYSA-N -1 0 312.326 -0.566 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCc1nnc2n1CCCC2 ZINC000740452788 602852577 /nfs/dbraw/zinc/85/25/77/602852577.db2.gz RMDJLIZLBJXJNF-VIFPVBQESA-N -1 0 309.326 -0.391 20 0 DBADRM COCCN(CC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)C(=O)[O-] ZINC000739816726 602852719 /nfs/dbraw/zinc/85/27/19/602852719.db2.gz ALMWWPOBAONKCA-VHSXEESVSA-N -1 0 301.343 -0.227 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)C1 ZINC000737553608 602854554 /nfs/dbraw/zinc/85/45/54/602854554.db2.gz UCBXWXHBPBQYIK-ZJUUUORDSA-N -1 0 321.399 -0.181 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(CN2CCN(C(=O)[O-])CC2)c1 ZINC000737374353 602856498 /nfs/dbraw/zinc/85/64/98/602856498.db2.gz SYGQLYFYSHUUQD-UHFFFAOYSA-N -1 0 317.371 -0.614 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])NC[C@@H]1COCCO1 ZINC000740367716 602856883 /nfs/dbraw/zinc/85/68/83/602856883.db2.gz WQJMVLWKQSLYHW-GHMZBOCLSA-N -1 0 302.327 -0.323 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2O)CCO1 ZINC000740326204 602857143 /nfs/dbraw/zinc/85/71/43/602857143.db2.gz CQYKHYUEZWQQFS-JTQLQIEISA-N -1 0 309.278 -0.192 20 0 DBADRM COCCN(C(=O)C[C@@H](C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000828964102 602857576 /nfs/dbraw/zinc/85/75/76/602857576.db2.gz LBZYWPASUGBCNW-NXEZZACHSA-N -1 0 322.383 -0.305 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000738758073 602864430 /nfs/dbraw/zinc/86/44/30/602864430.db2.gz QRVSKBRTYQSAGX-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM CCN(CC(=O)Oc1ccc(C(=O)NCC(N)=O)cc1)C(=O)[O-] ZINC000739405657 602867713 /nfs/dbraw/zinc/86/77/13/602867713.db2.gz ZZLVLRURIQAJID-UHFFFAOYSA-N -1 0 323.305 -0.193 20 0 DBADRM CCS(=O)(=O)NCCN(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739517539 602867990 /nfs/dbraw/zinc/86/79/90/602867990.db2.gz YLKGQFGODQIAGB-UHFFFAOYSA-N -1 0 322.431 -0.847 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739036201 602868260 /nfs/dbraw/zinc/86/82/60/602868260.db2.gz AONDOEMBTKHLOA-CIUDSAMLSA-N -1 0 307.372 -0.571 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOCC2)C[C@H](C)N1C(=O)[O-] ZINC000739188668 602870370 /nfs/dbraw/zinc/87/03/70/602870370.db2.gz GRVKQQDGCASKCG-AOOOYVTPSA-N -1 0 307.372 -0.364 20 0 DBADRM CCOC[C@@H](O)CN1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000827388966 602871929 /nfs/dbraw/zinc/87/19/29/602871929.db2.gz QWXHILUMDMIYBK-NEPJUHHUSA-N -1 0 317.386 -0.426 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCC(=O)Nc1ccncc1 ZINC000740356160 602875884 /nfs/dbraw/zinc/87/58/84/602875884.db2.gz DWXWSBZAZVLEES-NSHDSACASA-N -1 0 322.321 -0.673 20 0 DBADRM C[C@H]1CN(CCNC(=O)[C@@H]2COCCN2C(=O)[O-])CCO1 ZINC000739182101 602876412 /nfs/dbraw/zinc/87/64/12/602876412.db2.gz MERXGAPADVKWTN-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)CC(=O)N1CCOCC1 ZINC000739685263 602876447 /nfs/dbraw/zinc/87/64/47/602876447.db2.gz TWUXFNZVLQWNJG-UHFFFAOYSA-N -1 0 314.386 -0.927 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC000739577316 602880124 /nfs/dbraw/zinc/88/01/24/602880124.db2.gz WUIHMJJVXBCHHU-SECBINFHSA-N -1 0 321.399 -0.085 20 0 DBADRM NC(=O)CC[C@@H]1CCCN(C(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000740330236 602883367 /nfs/dbraw/zinc/88/33/67/602883367.db2.gz ZKKLVESFWJOUJZ-WDEREUQCSA-N -1 0 313.354 -0.131 20 0 DBADRM C[C@@H]1CN(C(=O)NCCN(C(=O)[O-])C2CC2)CCS1(=O)=O ZINC000739135316 602883578 /nfs/dbraw/zinc/88/35/78/602883578.db2.gz MENQSDCJAOBTFG-SECBINFHSA-N -1 0 319.383 -0.043 20 0 DBADRM CCN(CCNC(=O)N1CCS(=O)(=O)[C@@H](C)C1)C(=O)[O-] ZINC000739429485 602883612 /nfs/dbraw/zinc/88/36/12/602883612.db2.gz MZZRZALCEKWHBH-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739705302 602885832 /nfs/dbraw/zinc/88/58/32/602885832.db2.gz QVIIXQOENHGWKU-JTQLQIEISA-N -1 0 322.383 -0.352 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739762485 602886792 /nfs/dbraw/zinc/88/67/92/602886792.db2.gz RCOIUCSWSGKJOU-QMMMGPOBSA-N -1 0 302.283 -0.791 20 0 DBADRM CC(C)[C@@H](OC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)NC(N)=O ZINC000738797395 602887524 /nfs/dbraw/zinc/88/75/24/602887524.db2.gz NMZBTKREIRBIQV-HTQZYQBOSA-N -1 0 301.299 -0.251 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000739996488 602888206 /nfs/dbraw/zinc/88/82/06/602888206.db2.gz SIGPCDXSZRZXIM-SECBINFHSA-N -1 0 322.387 -0.633 20 0 DBADRM O=C(CN(CC1CC1)C(=O)[O-])NCCCN1C(=O)CNC1=O ZINC000831459858 602890184 /nfs/dbraw/zinc/89/01/84/602890184.db2.gz FIVRQEILULBRQC-UHFFFAOYSA-N -1 0 312.326 -0.566 20 0 DBADRM O=C([O-])N1CC[C@@H](C(=O)OCC(=O)NCCCn2cccn2)C1 ZINC000740374532 602891142 /nfs/dbraw/zinc/89/11/42/602891142.db2.gz BEAABUQNBXAALJ-LLVKDONJSA-N -1 0 324.337 -0.068 20 0 DBADRM COC(=O)CSCCNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739763768 602891856 /nfs/dbraw/zinc/89/18/56/602891856.db2.gz IBELEBQBWBHUCZ-MRVPVSSYSA-N -1 0 306.340 -0.612 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCCN1C(=O)CCC1=O ZINC000740430561 602892944 /nfs/dbraw/zinc/89/29/44/602892944.db2.gz NEGMVAPDMYWFJQ-VIFPVBQESA-N -1 0 313.310 -0.980 20 0 DBADRM C[C@@H](CC(=O)NCCS(=O)(=O)NCC1CCC1)NC(=O)[O-] ZINC000824655993 602900532 /nfs/dbraw/zinc/90/05/32/602900532.db2.gz NYYPIDGHTNPKOY-VIFPVBQESA-N -1 0 321.399 -0.132 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCCNC(=O)[O-])C1 ZINC000739749110 602900749 /nfs/dbraw/zinc/90/07/49/602900749.db2.gz GWVOZINLFYOVCL-SECBINFHSA-N -1 0 322.387 -0.633 20 0 DBADRM CN(CCNC(=O)[C@@H]1COCCN1C(=O)[O-])CC(F)(F)F ZINC000739688412 602901109 /nfs/dbraw/zinc/90/11/09/602901109.db2.gz KVCCPBXMFFNIIR-QMMMGPOBSA-N -1 0 313.276 -0.025 20 0 DBADRM O=C(COC(=O)[C@H]1CCN(C(=O)[O-])C1)NC1CCOCC1 ZINC000740376638 602903015 /nfs/dbraw/zinc/90/30/15/602903015.db2.gz IZFMGFGHMZBNPH-VIFPVBQESA-N -1 0 300.311 -0.175 20 0 DBADRM CCN(CC(=O)NC)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739389860 602903511 /nfs/dbraw/zinc/90/35/11/602903511.db2.gz PXOKIXKEZVHHKG-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM NC(=O)N1CC[C@@H](NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC000740333265 602904140 /nfs/dbraw/zinc/90/41/40/602904140.db2.gz SGEUILZLZNKEKP-ZJUUUORDSA-N -1 0 314.342 -0.585 20 0 DBADRM NC(=O)N1CC[C@@H](NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1 ZINC000740333262 602904215 /nfs/dbraw/zinc/90/42/15/602904215.db2.gz SGEUILZLZNKEKP-NXEZZACHSA-N -1 0 314.342 -0.585 20 0 DBADRM CCN(CCCNC(=O)C(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000739418788 602904641 /nfs/dbraw/zinc/90/46/41/602904641.db2.gz XEEGZCQSEFPZNM-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM CNC(=O)CCCNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739740276 602905519 /nfs/dbraw/zinc/90/55/19/602905519.db2.gz KMZSOTVRVUTQEA-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM CCN1CCO[C@H](CNC(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000739453972 602909578 /nfs/dbraw/zinc/90/95/78/602909578.db2.gz BTXNQNOCCITXBV-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC000739457274 602913029 /nfs/dbraw/zinc/91/30/29/602913029.db2.gz RCWPDUUDBXTRIL-UWVGGRQHSA-N -1 0 303.384 -0.124 20 0 DBADRM O=C([O-])N1CCC[C@@H](C(=O)OCCCN2C(=O)CNC2=O)C1 ZINC000738713030 602913236 /nfs/dbraw/zinc/91/32/36/602913236.db2.gz OVLHALZHHGRFNW-SECBINFHSA-N -1 0 313.310 -0.139 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCC[C@@H](O)C(F)(F)F ZINC000740415027 602913610 /nfs/dbraw/zinc/91/36/10/602913610.db2.gz HGGFIJSGLWMKQP-NKWVEPMBSA-N -1 0 300.233 -0.205 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1COCCN1C(=O)[O-])CN1CCOCC1 ZINC000738914610 602913733 /nfs/dbraw/zinc/91/37/33/602913733.db2.gz LOCSFHDSVYPFAY-RYUDHWBXSA-N -1 0 315.370 -0.550 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCCOC[C@H]1CCOC1 ZINC000740429271 602918075 /nfs/dbraw/zinc/91/80/75/602918075.db2.gz DQWAZRCTYOFBDN-NEPJUHHUSA-N -1 0 316.354 -0.075 20 0 DBADRM C[C@@H](CO)[C@H](C)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738938788 602934362 /nfs/dbraw/zinc/93/43/62/602934362.db2.gz JXPANBQHBHAGEL-UWVGGRQHSA-N -1 0 316.358 -0.875 20 0 DBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)c1cn(CC(N)=O)nn1 ZINC000824065554 602936241 /nfs/dbraw/zinc/93/62/41/602936241.db2.gz YKOLZWBYLQWBJK-GFCCVEGCSA-N -1 0 312.330 -0.825 20 0 DBADRM CC(C)(CC(=O)N1CCC(NS(C)(=O)=O)CC1)NC(=O)[O-] ZINC000738730981 602943698 /nfs/dbraw/zinc/94/36/98/602943698.db2.gz KEQGQMYDSXRDKH-UHFFFAOYSA-N -1 0 321.399 -0.037 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000740574019 602949528 /nfs/dbraw/zinc/94/95/28/602949528.db2.gz JMIDUGVLZUGZGV-KXUCPTDWSA-N -1 0 304.368 -0.026 20 0 DBADRM COC(=O)Cc1nc(NC(=O)C[C@H]2CCCN2C(=O)[O-])n[nH]1 ZINC000828699444 602951987 /nfs/dbraw/zinc/95/19/87/602951987.db2.gz GSJJVCRCVIHJPP-SSDOTTSWSA-N -1 0 311.298 -0.009 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])C1 ZINC000829688066 602954666 /nfs/dbraw/zinc/95/46/66/602954666.db2.gz PCUOHRYWQAOREJ-UWVGGRQHSA-N -1 0 319.383 -0.331 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H](C)N1C(=O)[O-] ZINC000739137105 602955676 /nfs/dbraw/zinc/95/56/76/602955676.db2.gz TUXJZSQQEROFCZ-KXUCPTDWSA-N -1 0 319.383 -0.044 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)C[C@H](C)NC(=O)[O-])CC2)[nH]1 ZINC000830752078 602955911 /nfs/dbraw/zinc/95/59/11/602955911.db2.gz SHFMALSTVVJXPK-VIFPVBQESA-N -1 0 310.358 -0.196 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000736415332 602963071 /nfs/dbraw/zinc/96/30/71/602963071.db2.gz MZLATFHJYHJNGA-NXEZZACHSA-N -1 0 321.399 -0.181 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)NCCN(C(=O)[O-])C1CC1 ZINC000738947722 602963454 /nfs/dbraw/zinc/96/34/54/602963454.db2.gz FIWIBVHSGHQWGX-MRVPVSSYSA-N -1 0 307.372 -0.139 20 0 DBADRM CCc1ocnc1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739560922 602967215 /nfs/dbraw/zinc/96/72/15/602967215.db2.gz WGYDYZNAZFTVSK-UHFFFAOYSA-N -1 0 310.310 -0.211 20 0 DBADRM CN(CCCNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC000739670902 602968133 /nfs/dbraw/zinc/96/81/33/602968133.db2.gz UVUDSJRNKAOBNM-SECBINFHSA-N -1 0 322.387 -0.681 20 0 DBADRM C[C@H](CCNC(=O)N1CC[C@H](NS(C)(=O)=O)C1)NC(=O)[O-] ZINC000738906827 602968459 /nfs/dbraw/zinc/96/84/59/602968459.db2.gz PGUZESXMEUOJOJ-BDAKNGLRSA-N -1 0 322.387 -0.634 20 0 DBADRM O=C([O-])NCCNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000740658933 602976843 /nfs/dbraw/zinc/97/68/43/602976843.db2.gz NJMNAFGEGGKJGM-LLVKDONJSA-N -1 0 319.317 -0.111 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738951082 602979900 /nfs/dbraw/zinc/97/99/00/602979900.db2.gz OIPGSGWEIOVANF-BDAKNGLRSA-N -1 0 307.372 -0.281 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1CCC(NC(=O)[O-])CC1 ZINC000738952341 602980073 /nfs/dbraw/zinc/98/00/73/602980073.db2.gz SJVNWLWQNSKQRM-MRVPVSSYSA-N -1 0 307.372 -0.139 20 0 DBADRM CC(C)OC(=O)CCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738863188 602985470 /nfs/dbraw/zinc/98/54/70/602985470.db2.gz ZXRCDGCEAMOIET-UHFFFAOYSA-N -1 0 315.326 -0.734 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])C[C@H]1C ZINC000739045558 602986461 /nfs/dbraw/zinc/98/64/61/602986461.db2.gz LIGHMDQPWPCIRT-GRYCIOLGSA-N -1 0 315.370 -0.721 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2ccncc2F)CC1 ZINC000740403816 602996024 /nfs/dbraw/zinc/99/60/24/602996024.db2.gz GLOZELORIWSZFP-UHFFFAOYSA-N -1 0 310.285 -0.227 20 0 DBADRM Cc1noc([C@H](C)NC(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000740263060 602998316 /nfs/dbraw/zinc/99/83/16/602998316.db2.gz JRIHZMBYOYLMKD-ZETCQYMHSA-N -1 0 311.298 -0.623 20 0 DBADRM CN(CCn1cccn1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739703995 603004503 /nfs/dbraw/zinc/00/45/03/603004503.db2.gz IYJLJGFNHLBXNQ-UHFFFAOYSA-N -1 0 309.326 -0.836 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])nn1 ZINC000831200272 603005785 /nfs/dbraw/zinc/00/57/85/603005785.db2.gz YNOYIJWXBPSZBF-RKDXNWHRSA-N -1 0 324.341 -0.680 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000828200628 603008915 /nfs/dbraw/zinc/00/89/15/603008915.db2.gz XMZQXKGDFQWERD-NXEZZACHSA-N -1 0 319.383 -0.043 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])c1noc(Cn2ccc(=O)n(C)c2=O)n1 ZINC000738910368 603013776 /nfs/dbraw/zinc/01/37/76/603013776.db2.gz DTSFQCYRAFKMCF-QMMMGPOBSA-N -1 0 323.309 -0.308 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCCCOCC1CC1 ZINC000740368526 603014118 /nfs/dbraw/zinc/01/41/18/603014118.db2.gz JPEWTEIRAYKQAE-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CCO1 ZINC000736147185 603014205 /nfs/dbraw/zinc/01/42/05/603014205.db2.gz DWSVLIFKBWVGPQ-MNOVXSKESA-N -1 0 301.343 -0.358 20 0 DBADRM COC(=O)[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C(C)C ZINC000739766292 603015114 /nfs/dbraw/zinc/01/51/14/603015114.db2.gz RCPZXGXOKBWYMG-LLVKDONJSA-N -1 0 315.326 -0.878 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000736364168 603015729 /nfs/dbraw/zinc/01/57/29/603015729.db2.gz NLFQZVVEUPHMPI-GHMZBOCLSA-N -1 0 323.353 -0.066 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000740348091 603016058 /nfs/dbraw/zinc/01/60/58/603016058.db2.gz KVYJJVHZLNSCMN-WDEREUQCSA-N -1 0 315.395 -0.028 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000740345511 603016147 /nfs/dbraw/zinc/01/61/47/603016147.db2.gz CAZBXBACOSBPOB-NEPJUHHUSA-N -1 0 313.354 -0.702 20 0 DBADRM NC(=O)CCn1ccc(NC(=O)[C@H]2CSCN2C(=O)[O-])n1 ZINC000740329356 603016391 /nfs/dbraw/zinc/01/63/91/603016391.db2.gz QKXPMJJTGVRACI-SSDOTTSWSA-N -1 0 313.339 -0.250 20 0 DBADRM Cc1nc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)cs1 ZINC000740225421 603017203 /nfs/dbraw/zinc/01/72/03/603017203.db2.gz WHAMLGPDBIWYHX-UHFFFAOYSA-N -1 0 312.351 -0.110 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCCSCC2)C(=O)C1 ZINC000740527153 603018028 /nfs/dbraw/zinc/01/80/28/603018028.db2.gz QELCSNYFHGKVJY-UHFFFAOYSA-N -1 0 301.368 -0.226 20 0 DBADRM CN(C[C@H]1CCCCO1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739633472 603019655 /nfs/dbraw/zinc/01/96/55/603019655.db2.gz JDQAKGFVWUGOIW-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NCCC(=O)N1CCOCC1 ZINC000740572551 603019868 /nfs/dbraw/zinc/01/98/68/603019868.db2.gz GNVAVIDUGQJTTB-GHMZBOCLSA-N -1 0 313.354 -0.212 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739803063 603023198 /nfs/dbraw/zinc/02/31/98/603023198.db2.gz BQZXYRPRABMFIV-LLVKDONJSA-N -1 0 323.415 -0.422 20 0 DBADRM NS(=O)(=O)NC[C@H]1CCCN(C(=O)CCCNC(=O)[O-])C1 ZINC000740339330 603024270 /nfs/dbraw/zinc/02/42/70/603024270.db2.gz YUUBHYUIVQTMGM-SECBINFHSA-N -1 0 322.387 -0.934 20 0 DBADRM CCCCOC(=O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739335438 603025904 /nfs/dbraw/zinc/02/59/04/603025904.db2.gz WGIBNNXSDNEWAG-UHFFFAOYSA-N -1 0 315.326 -0.732 20 0 DBADRM CN(CCNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000739696164 603026420 /nfs/dbraw/zinc/02/64/20/603026420.db2.gz XJENEPRZQMOUQG-JTQLQIEISA-N -1 0 324.341 -0.566 20 0 DBADRM O=C([O-])N1CCC(C(=O)N2CCO[C@H](Cn3cncn3)C2)CC1 ZINC000738638127 603027410 /nfs/dbraw/zinc/02/74/10/603027410.db2.gz FMZOIPQZTXIALK-LBPRGKRZSA-N -1 0 323.353 -0.105 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NCCN1C(=O)CCC1=O ZINC000740438493 603030325 /nfs/dbraw/zinc/03/03/25/603030325.db2.gz IIGLZUOFRZQXQT-ZETCQYMHSA-N -1 0 301.324 -0.696 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NC[C@@H]2CCCC[C@@H]2O)C(=O)C1 ZINC000740370332 603032786 /nfs/dbraw/zinc/03/27/86/603032786.db2.gz TXKYFJSQZMVVAV-QWRGUYRKSA-N -1 0 313.354 -0.524 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000738702214 603042277 /nfs/dbraw/zinc/04/22/77/603042277.db2.gz APDBBEBQWMAHCG-VIFPVBQESA-N -1 0 321.399 -0.133 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000738702211 603042409 /nfs/dbraw/zinc/04/24/09/603042409.db2.gz APDBBEBQWMAHCG-SECBINFHSA-N -1 0 321.399 -0.133 20 0 DBADRM CN(CCNC(=O)N1CCO[C@H](Cn2cncn2)C1)C(=O)[O-] ZINC000739691018 603047530 /nfs/dbraw/zinc/04/75/30/603047530.db2.gz GCKLXVZAJRMZOF-JTQLQIEISA-N -1 0 312.330 -0.702 20 0 DBADRM O=C([O-])NCCNC(=O)C(=O)Nc1nc2c(s1)COCC2 ZINC000740660002 603050476 /nfs/dbraw/zinc/05/04/76/603050476.db2.gz YHPYIODYYAOFKS-UHFFFAOYSA-N -1 0 314.323 -0.462 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000739814540 603050474 /nfs/dbraw/zinc/05/04/74/603050474.db2.gz SRPXVJMPMAIQGR-WDEREUQCSA-N -1 0 315.370 -0.014 20 0 DBADRM CC(C)(CC(=O)N1CC[C@H](NS(C)(=O)=O)C1)NC(=O)[O-] ZINC000738732344 603053703 /nfs/dbraw/zinc/05/37/03/603053703.db2.gz SFIFZYXKPHKMCE-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM CCCCOCC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739335300 603053859 /nfs/dbraw/zinc/05/38/59/603053859.db2.gz SZJMEUHZXCROTK-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000738995329 603054916 /nfs/dbraw/zinc/05/49/16/603054916.db2.gz PVFJJKXNJDIXHF-SECBINFHSA-N -1 0 305.400 -0.398 20 0 DBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)CCCNC(=O)[O-] ZINC000738151267 603056055 /nfs/dbraw/zinc/05/60/55/603056055.db2.gz SUDPUNBVXANCJD-VIFPVBQESA-N -1 0 310.397 -0.020 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@H](C)NC(=O)[O-])CC2)n1C ZINC000740259883 603056896 /nfs/dbraw/zinc/05/68/96/603056896.db2.gz UHDLMFGEJQYHMC-VIFPVBQESA-N -1 0 310.358 -0.576 20 0 DBADRM COCCn1nc(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)ccc1=O ZINC000739842438 603057590 /nfs/dbraw/zinc/05/75/90/603057590.db2.gz JFPWGSMLSQGUQU-NSHDSACASA-N -1 0 324.337 -0.334 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000738797646 603059738 /nfs/dbraw/zinc/05/97/38/603059738.db2.gz OJPGDMOXDIVHIG-UWVGGRQHSA-N -1 0 321.399 -0.277 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N[C@H](CNC(=O)[O-])C2CC2)C1=O ZINC000739074064 603061387 /nfs/dbraw/zinc/06/13/87/603061387.db2.gz ITLIZSATWQFOEX-MRVPVSSYSA-N -1 0 312.326 -0.521 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCN(c2ncccn2)CC1 ZINC000740342363 603061450 /nfs/dbraw/zinc/06/14/50/603061450.db2.gz UPTRFJVDJGLROW-QWRGUYRKSA-N -1 0 321.337 -0.762 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(c2ncccn2)CC1 ZINC000740342365 603061459 /nfs/dbraw/zinc/06/14/59/603061459.db2.gz UPTRFJVDJGLROW-WDEREUQCSA-N -1 0 321.337 -0.762 20 0 DBADRM NC(=O)c1cccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000740335827 603066312 /nfs/dbraw/zinc/06/63/12/603066312.db2.gz WRZLRAMGEFKMJP-GHMZBOCLSA-N -1 0 307.306 -0.485 20 0 DBADRM NC(=O)COc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000740332444 603066696 /nfs/dbraw/zinc/06/66/96/603066696.db2.gz VZWIIVOAGIFMIE-GXSJLCMTSA-N -1 0 323.305 -0.398 20 0 DBADRM CN(C)c1ncccc1CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739619943 603069251 /nfs/dbraw/zinc/06/92/51/603069251.db2.gz ZMAJURLATMPQLG-WDEREUQCSA-N -1 0 308.338 -0.123 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCNC(=O)c1cccnc1 ZINC000740438318 603069983 /nfs/dbraw/zinc/06/99/83/603069983.db2.gz CQEVDRVNIVXWMA-WDEREUQCSA-N -1 0 322.321 -0.959 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000739616596 603071203 /nfs/dbraw/zinc/07/12/03/603071203.db2.gz JCYTVYYEMOVJQZ-LLVKDONJSA-N -1 0 321.399 -0.022 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCC(=O)NCc1ccco1 ZINC000740376556 603071493 /nfs/dbraw/zinc/07/14/93/603071493.db2.gz GLLJGIRSJIYJBZ-WPRPVWTQSA-N -1 0 311.294 -0.875 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)CN(C)C(=O)[O-])C2=O)n(C)n1 ZINC000830072681 603071767 /nfs/dbraw/zinc/07/17/67/603071767.db2.gz ICDJEYDLCRXRLC-SECBINFHSA-N -1 0 309.326 -0.440 20 0 DBADRM CC(=O)N(C)C1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000738511589 603073746 /nfs/dbraw/zinc/07/37/46/603073746.db2.gz NSRGTJAGCDWQNI-VXGBXAGGSA-N -1 0 313.354 -0.431 20 0 DBADRM CN(Cc1nnc2ccccn21)C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739720944 603074898 /nfs/dbraw/zinc/07/48/98/603074898.db2.gz NWRDMDAAPWDOKK-VHSXEESVSA-N -1 0 319.321 -0.199 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CCCN(C(=O)[O-])CC2)n1 ZINC000738052021 603079859 /nfs/dbraw/zinc/07/98/59/603079859.db2.gz XOUQANTVDRFRQQ-UHFFFAOYSA-N -1 0 310.310 -0.327 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CC[C@H](CN(C)C(=O)[O-])C2)n1 ZINC000739781982 603080910 /nfs/dbraw/zinc/08/09/10/603080910.db2.gz ZBKNHAYOGQIGPN-SNVBAGLBSA-N -1 0 324.337 -0.081 20 0 DBADRM CCOC(=O)N1CCN(C(=O)CN(CCOC)C(=O)[O-])CC1 ZINC000739477383 603085698 /nfs/dbraw/zinc/08/56/98/603085698.db2.gz OSBBLAPNVXNCRR-UHFFFAOYSA-N -1 0 317.342 -0.087 20 0 DBADRM COCCN(CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739814598 603087181 /nfs/dbraw/zinc/08/71/81/603087181.db2.gz UUCRJZRNNYUNJU-SECBINFHSA-N -1 0 308.356 -0.742 20 0 DBADRM COC(=O)Cc1nc(NC(=O)C2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000738031949 603087281 /nfs/dbraw/zinc/08/72/81/603087281.db2.gz DRXDVRQVILSESR-UHFFFAOYSA-N -1 0 311.298 -0.151 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@H]2CSCN2C(=O)[O-])n[nH]1 ZINC000739768422 603088027 /nfs/dbraw/zinc/08/80/27/603088027.db2.gz NRDKONHMEWQJPA-RXMQYKEDSA-N -1 0 315.311 -0.488 20 0 DBADRM COC1(C(=O)NCc2nnnn2C2CC2)CCN(C(=O)[O-])CC1 ZINC000828855702 603089006 /nfs/dbraw/zinc/08/90/06/603089006.db2.gz GHBLVKINLUIERE-UHFFFAOYSA-N -1 0 324.341 -0.217 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])NCc1nnnn1C1CC1 ZINC000831474166 603089042 /nfs/dbraw/zinc/08/90/42/603089042.db2.gz KWAUAJNNMJIAAD-JTQLQIEISA-N -1 0 324.341 -0.217 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])NCc1nnnn1C1CC1 ZINC000831474167 603089056 /nfs/dbraw/zinc/08/90/56/603089056.db2.gz KWAUAJNNMJIAAD-SNVBAGLBSA-N -1 0 324.341 -0.217 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)N1CCS(=O)(=O)CC1)C1CC1 ZINC000740613836 603095166 /nfs/dbraw/zinc/09/51/66/603095166.db2.gz RATZGRVKLWTBTA-VIFPVBQESA-N -1 0 305.356 -0.527 20 0 DBADRM CNC(=O)C1(NC(=O)CN(CCOC)C(=O)[O-])CCCC1 ZINC000739738192 603097808 /nfs/dbraw/zinc/09/78/08/603097808.db2.gz KRKNNOICCFAYEG-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM COCCNC(=O)CNC(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739830673 603098670 /nfs/dbraw/zinc/09/86/70/603098670.db2.gz INZICLPWHMLCGF-WCBMZHEXSA-N -1 0 317.342 -0.631 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739186536 603098728 /nfs/dbraw/zinc/09/87/28/603098728.db2.gz BXBMKQWLNWLSPU-VHSXEESVSA-N -1 0 319.383 -0.043 20 0 DBADRM COCCNC(=O)CNC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739830667 603098899 /nfs/dbraw/zinc/09/88/99/603098899.db2.gz INZICLPWHMLCGF-PSASIEDQSA-N -1 0 317.342 -0.631 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000740341103 603104229 /nfs/dbraw/zinc/10/42/29/603104229.db2.gz MFZNBBKCAPROBC-MRVPVSSYSA-N -1 0 319.325 -0.429 20 0 DBADRM COCCn1nc(C(=O)N2CCC[C@@H]2CNC(=O)[O-])ccc1=O ZINC000829036666 603106563 /nfs/dbraw/zinc/10/65/63/603106563.db2.gz YBVWKTLAYBRDBW-SNVBAGLBSA-N -1 0 324.337 -0.238 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000739201736 603108815 /nfs/dbraw/zinc/10/88/15/603108815.db2.gz LZCPTMMMAZNKMQ-CIUDSAMLSA-N -1 0 320.367 -0.207 20 0 DBADRM COCCN(CC(=O)N1CCC[C@H](CNC(C)=O)C1)C(=O)[O-] ZINC000739816084 603109183 /nfs/dbraw/zinc/10/91/83/603109183.db2.gz KFOLMJXEVNAFGQ-GFCCVEGCSA-N -1 0 315.370 -0.013 20 0 DBADRM COCCN(CC(=O)NCC(=O)N1CCCCC1)C(=O)[O-] ZINC000739817302 603110970 /nfs/dbraw/zinc/11/09/70/603110970.db2.gz DVNMTSQXWDHDRK-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM COCCN(CC(=O)NCCC1N=NC(=S)N1C)C(=O)[O-] ZINC000739817043 603111088 /nfs/dbraw/zinc/11/10/88/603111088.db2.gz AEFXWNOYNVRPBP-UHFFFAOYSA-N -1 0 317.371 -0.611 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000739463384 603114785 /nfs/dbraw/zinc/11/47/85/603114785.db2.gz OJVFBVWBJUDMNM-HTQZYQBOSA-N -1 0 301.299 -0.188 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000739463389 603114815 /nfs/dbraw/zinc/11/48/15/603114815.db2.gz OJVFBVWBJUDMNM-JGVFFNPUSA-N -1 0 301.299 -0.188 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCN(C(=O)[O-])C2)c[nH]1 ZINC000828761217 603117735 /nfs/dbraw/zinc/11/77/35/603117735.db2.gz QCZRPWYRYFPGOF-SSDOTTSWSA-N -1 0 317.323 -0.168 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CCS(C)(=O)=O)CCN1C(=O)[O-] ZINC000826069933 603121995 /nfs/dbraw/zinc/12/19/95/603121995.db2.gz XJSIQEPSRRQXRE-MRVPVSSYSA-N -1 0 314.385 -0.955 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)OCCCN1C(=O)CNC1=O ZINC000740582360 603125060 /nfs/dbraw/zinc/12/50/60/603125060.db2.gz QZHFVLSNNLFSOA-RKDXNWHRSA-N -1 0 313.310 -0.092 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1C(=O)Cc1nc2ncccn2n1 ZINC000832546922 603126013 /nfs/dbraw/zinc/12/60/13/603126013.db2.gz ZLGMRXDCRKJURE-SECBINFHSA-N -1 0 304.310 -0.075 20 0 DBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)CCNS(C)(=O)=O ZINC000738772581 603130397 /nfs/dbraw/zinc/13/03/97/603130397.db2.gz QCXCJVUJQYJQOJ-LLVKDONJSA-N -1 0 309.388 -0.276 20 0 DBADRM CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cn1 ZINC000739616424 603133948 /nfs/dbraw/zinc/13/39/48/603133948.db2.gz CBMINTKVLBBMLP-QWRGUYRKSA-N -1 0 308.338 -0.123 20 0 DBADRM CNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000739744632 603134153 /nfs/dbraw/zinc/13/41/53/603134153.db2.gz HCKTWLYJRWXFRR-RYUDHWBXSA-N -1 0 321.333 -0.224 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)N2CCN(C(=O)[O-])CC2)n1 ZINC000738033246 603142382 /nfs/dbraw/zinc/14/23/82/603142382.db2.gz YIXBNNJBKCXVRO-UHFFFAOYSA-N -1 0 311.298 -0.116 20 0 DBADRM CCOC(=O)CCOC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739475034 603145036 /nfs/dbraw/zinc/14/50/36/603145036.db2.gz IIHADZODVKFOOU-UHFFFAOYSA-N -1 0 302.283 -0.695 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)N2CC[C@H](CO)C2)CC1 ZINC000740527049 603145285 /nfs/dbraw/zinc/14/52/85/603145285.db2.gz MYXOODJNXSXQPE-LBPRGKRZSA-N -1 0 314.386 -0.304 20 0 DBADRM COCCc1noc(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])n1 ZINC000739839035 603145819 /nfs/dbraw/zinc/14/58/19/603145819.db2.gz VZCFUVBGTXVWET-SFYZADRCSA-N -1 0 315.282 -0.585 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)CCNS(C)(=O)=O)C(=O)[O-] ZINC000828192290 603150382 /nfs/dbraw/zinc/15/03/82/603150382.db2.gz SBHDGTLYXIUMHS-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)CN1C(=O)CN(C)C1=O)C(=O)[O-] ZINC000828193004 603153433 /nfs/dbraw/zinc/15/34/33/603153433.db2.gz ZTINNHYSPFRSFK-SECBINFHSA-N -1 0 312.326 -0.519 20 0 DBADRM CN(CC1CC1)C(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739632335 603158177 /nfs/dbraw/zinc/15/81/77/603158177.db2.gz BUHNQPUXCFYDML-VHSXEESVSA-N -1 0 300.311 -0.489 20 0 DBADRM CCCCCNC(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739326808 603159269 /nfs/dbraw/zinc/15/92/69/603159269.db2.gz LUMBILJCNJRIQU-NXEZZACHSA-N -1 0 302.327 -0.051 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)CCn1cc[nH]c(=O)c1=O)C(=O)[O-] ZINC000828192610 603163166 /nfs/dbraw/zinc/16/31/66/603163166.db2.gz VTBAJPQLNOFTRF-SNVBAGLBSA-N -1 0 324.337 -0.473 20 0 DBADRM CC(C)(C(=O)NCCCC(N)=O)N1CCN(C(=O)[O-])CC1 ZINC000738659157 603166956 /nfs/dbraw/zinc/16/69/56/603166956.db2.gz HGZIXYMKJIKZFC-UHFFFAOYSA-N -1 0 300.359 -0.558 20 0 DBADRM COCCN(CC(=O)N[C@@H]1CCN(C(C)C)C1=O)C(=O)[O-] ZINC000739818698 603174849 /nfs/dbraw/zinc/17/48/49/603174849.db2.gz LLYDWQXQNAXMAT-SNVBAGLBSA-N -1 0 301.343 -0.262 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000739673418 603190080 /nfs/dbraw/zinc/19/00/80/603190080.db2.gz GLLPNSCUGHSOLV-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000736261947 603195019 /nfs/dbraw/zinc/19/50/19/603195019.db2.gz ACJBZLYHGQXXKK-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM CCCN(C(=O)CN1CC(=O)NC1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739345527 603196702 /nfs/dbraw/zinc/19/67/02/603196702.db2.gz TWNXKKQBEPZWPA-SECBINFHSA-N -1 0 312.326 -0.471 20 0 DBADRM CCCN(C(=O)CN1CC(=O)NC1=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739345530 603196997 /nfs/dbraw/zinc/19/69/97/603196997.db2.gz TWNXKKQBEPZWPA-VIFPVBQESA-N -1 0 312.326 -0.471 20 0 DBADRM CCC(CC)(CNC(=O)[O-])NC(=O)CN1CC(=O)NC1=O ZINC000739249077 603198274 /nfs/dbraw/zinc/19/82/74/603198274.db2.gz HHHAJUVLBVLPAP-UHFFFAOYSA-N -1 0 300.315 -0.519 20 0 DBADRM NS(=O)(=O)c1ccc2c(c1)N(C(=O)CCNC(=O)[O-])CC2 ZINC000738446721 603206911 /nfs/dbraw/zinc/20/69/11/603206911.db2.gz OAERQKLPKNZXIH-UHFFFAOYSA-N -1 0 313.335 -0.119 20 0 DBADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCCNC(N)=O ZINC000739968131 603208784 /nfs/dbraw/zinc/20/87/84/603208784.db2.gz QHNHBCNINQSKSP-JTQLQIEISA-N -1 0 310.310 -0.212 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)nn1 ZINC000737350092 603213805 /nfs/dbraw/zinc/21/38/05/603213805.db2.gz RRZYLPMXZYSEMO-VIFPVBQESA-N -1 0 324.341 -0.762 20 0 DBADRM COC(=O)NCC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739771674 603218273 /nfs/dbraw/zinc/21/82/73/603218273.db2.gz BBKYBBCIRIVOJH-JGVFFNPUSA-N -1 0 303.315 -0.038 20 0 DBADRM Cn1cc(N2CCC[C@H](NC(=O)CCNC(=O)[O-])C2=O)cn1 ZINC000738411214 603220676 /nfs/dbraw/zinc/22/06/76/603220676.db2.gz NTKMJHVLJUMOPC-JTQLQIEISA-N -1 0 309.326 -0.311 20 0 DBADRM Cc1cc(N2CCC[C@H](NC(=O)[C@H](C)NC(=O)[O-])C2=O)n(C)n1 ZINC000830077770 603223167 /nfs/dbraw/zinc/22/31/67/603223167.db2.gz GOQYKCHAXJLOHD-UWVGGRQHSA-N -1 0 323.353 -0.004 20 0 DBADRM Cc1cc(N2CCC[C@H](NC(=O)CNC(=O)[O-])C2=O)n(C)n1 ZINC000830077700 603225148 /nfs/dbraw/zinc/22/51/48/603225148.db2.gz FLORGKSOAVRSLI-VIFPVBQESA-N -1 0 309.326 -0.392 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)CS(=O)(=O)NC(C)(C)C ZINC000739672192 603237380 /nfs/dbraw/zinc/23/73/80/603237380.db2.gz MMNKPIUWQJHPSK-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM CN(C[C@H]1CCCN1C(=S)NCCS(C)(=O)=O)C(=O)[O-] ZINC000828218544 603240055 /nfs/dbraw/zinc/24/00/55/603240055.db2.gz OMYSJIPAULSBII-SECBINFHSA-N -1 0 323.440 -0.020 20 0 DBADRM C[C@@H](CC(=O)N1CCN(CC(=O)NC2CC2)CC1)NC(=O)[O-] ZINC000824589516 603243331 /nfs/dbraw/zinc/24/33/31/603243331.db2.gz DMFPGRZPNRDCOX-JTQLQIEISA-N -1 0 312.370 -0.545 20 0 DBADRM C[C@H](CC(=O)N1CCN(CC(=O)NC2CC2)CC1)NC(=O)[O-] ZINC000824589517 603243494 /nfs/dbraw/zinc/24/34/94/603243494.db2.gz DMFPGRZPNRDCOX-SNVBAGLBSA-N -1 0 312.370 -0.545 20 0 DBADRM NS(=O)(=O)CCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000740343127 603246094 /nfs/dbraw/zinc/24/60/94/603246094.db2.gz UKBFGRWMNARACK-RKDXNWHRSA-N -1 0 307.372 -0.392 20 0 DBADRM CN1CCO[C@H](CNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000737530322 603258838 /nfs/dbraw/zinc/25/88/38/603258838.db2.gz TYODUCNNJKFTEP-GHMZBOCLSA-N -1 0 300.359 -0.241 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000737122817 603260147 /nfs/dbraw/zinc/26/01/47/603260147.db2.gz RIMLBXBWCTZJIB-SECBINFHSA-N -1 0 322.387 -0.633 20 0 DBADRM COCCN(CC(=O)N(C)C[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739814019 603260192 /nfs/dbraw/zinc/26/01/92/603260192.db2.gz QCOROGDEWWPIOT-JTQLQIEISA-N -1 0 322.383 -0.494 20 0 DBADRM C[C@H](CC(=O)N1CCC(NS(C)(=O)=O)CC1)NC(=O)[O-] ZINC000824574380 603266147 /nfs/dbraw/zinc/26/61/47/603266147.db2.gz ZFUDHRDQQZJQMU-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@@H](CC(=O)N1CCC(NS(C)(=O)=O)CC1)NC(=O)[O-] ZINC000824574381 603266267 /nfs/dbraw/zinc/26/62/67/603266267.db2.gz ZFUDHRDQQZJQMU-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)OC ZINC000739760407 603270347 /nfs/dbraw/zinc/27/03/47/603270347.db2.gz KVWDHQUZIAGUIR-JGVFFNPUSA-N -1 0 302.283 -0.793 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739986759 603271473 /nfs/dbraw/zinc/27/14/73/603271473.db2.gz VGSKFPMEBSVVLK-SECBINFHSA-N -1 0 319.383 -0.474 20 0 DBADRM CC[C@H](OC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)C(N)=O ZINC000739279453 603279417 /nfs/dbraw/zinc/27/94/17/603279417.db2.gz QTQHLZNVQMKSRD-VIFPVBQESA-N -1 0 301.343 -0.132 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)NCCCN(C)S(C)(=O)=O ZINC000739678454 603281633 /nfs/dbraw/zinc/28/16/33/603281633.db2.gz RYDBZYDSRKFBER-UHFFFAOYSA-N -1 0 324.403 -0.433 20 0 DBADRM O=C([O-])N1CC[C@H](C(=O)NCCN2C(=O)CSC2=O)C1 ZINC000740441167 603284198 /nfs/dbraw/zinc/28/41/98/603284198.db2.gz WISKHVQEGKPBEY-ZETCQYMHSA-N -1 0 301.324 -0.202 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739071436 603284853 /nfs/dbraw/zinc/28/48/53/603284853.db2.gz ALMZMUDMWGRTDS-BBBLOLIVSA-N -1 0 319.383 -0.044 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N(C)CCCNC(=O)[O-] ZINC000739466562 603284962 /nfs/dbraw/zinc/28/49/62/603284962.db2.gz SSDTUAWLDLJCTB-UHFFFAOYSA-N -1 0 310.376 -0.775 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@H]1CCCN1C(=O)[O-] ZINC000739982515 603285425 /nfs/dbraw/zinc/28/54/25/603285425.db2.gz GJRKWZAAILWBQM-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM O=C([O-])N1CCC2(CC1)NC(=O)N(CC(=O)N1CCCC1)C2=O ZINC000740508939 603296434 /nfs/dbraw/zinc/29/64/34/603296434.db2.gz IEMISAMSAKZUFD-UHFFFAOYSA-N -1 0 324.337 -0.327 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000740343121 603300914 /nfs/dbraw/zinc/30/09/14/603300914.db2.gz UHGMFZRGJRXQFP-SNVBAGLBSA-N -1 0 319.383 -0.487 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000737586822 603303680 /nfs/dbraw/zinc/30/36/80/603303680.db2.gz JKGWGOXLKDLJOY-UWVGGRQHSA-N -1 0 315.326 -0.288 20 0 DBADRM CS(=O)(=O)CCNC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000829675421 603305596 /nfs/dbraw/zinc/30/55/96/603305596.db2.gz WUATZLBUGZYNCQ-IUCAKERBSA-N -1 0 307.372 -0.234 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000740340577 603307141 /nfs/dbraw/zinc/30/71/41/603307141.db2.gz FXGAEJHLPYWGJM-ZJUUUORDSA-N -1 0 319.383 -0.487 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000740619973 603308175 /nfs/dbraw/zinc/30/81/75/603308175.db2.gz KMWYQQNDCWMCBE-IVZWLZJFSA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NC[C@@H](O)C2CCOCC2)C1 ZINC000740406441 603308523 /nfs/dbraw/zinc/30/85/23/603308523.db2.gz XIHIDXGZHKITDV-WDEREUQCSA-N -1 0 301.343 -0.175 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739752111 603309332 /nfs/dbraw/zinc/30/93/32/603309332.db2.gz ZPTQJLSKHJOTLL-VIFPVBQESA-N -1 0 319.383 -0.474 20 0 DBADRM Cc1nonc1C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740267559 603309953 /nfs/dbraw/zinc/30/99/53/603309953.db2.gz QAOXBWZFYJPAAT-UHFFFAOYSA-N -1 0 311.298 -0.728 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000739672980 603310503 /nfs/dbraw/zinc/31/05/03/603310503.db2.gz YQBCEKJQABUSCR-SNVBAGLBSA-N -1 0 321.399 -0.779 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000740340641 603311785 /nfs/dbraw/zinc/31/17/85/603311785.db2.gz HNVKAZIKFJAQQT-BDAKNGLRSA-N -1 0 305.356 -0.734 20 0 DBADRM O=C([O-])N1CC[C@@H](C(=O)N2CCO[C@H](Cn3cncn3)C2)C1 ZINC000740491731 603317894 /nfs/dbraw/zinc/31/78/94/603317894.db2.gz MOJHXBSOTZTHIE-MNOVXSKESA-N -1 0 309.326 -0.495 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)N[C@H](CO)C2CC2)cn1 ZINC000740703989 603321061 /nfs/dbraw/zinc/32/10/61/603321061.db2.gz SBZJYCZPZLSLHI-SECBINFHSA-N -1 0 308.294 -0.003 20 0 DBADRM O=S(=O)([N-]CCO)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826491449 607622020 /nfs/dbraw/zinc/62/20/20/607622020.db2.gz JWRKWLHBEGFHRS-UHFFFAOYSA-N -1 0 305.266 -0.585 20 0 DBADRM C[C@H](CC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)NC(=O)[O-] ZINC000824582106 603327778 /nfs/dbraw/zinc/32/77/78/603327778.db2.gz NRPDUYFHSKOKBQ-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM COCC(=O)NC1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000828881252 603341490 /nfs/dbraw/zinc/34/14/90/603341490.db2.gz UOOMRYALBLHDOR-SECBINFHSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)CCNS(C)(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739125707 603347783 /nfs/dbraw/zinc/34/77/83/603347783.db2.gz NMGKSHNIYIABSP-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@@H]1NC(=O)[O-] ZINC000739167674 603355707 /nfs/dbraw/zinc/35/57/07/603355707.db2.gz NXVITDPJJGHIQC-APPZFPTMSA-N -1 0 310.310 -0.396 20 0 DBADRM CC[C@H](C)[C@@H](O)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739240967 603358172 /nfs/dbraw/zinc/35/81/72/603358172.db2.gz XUJBQPZIKPYFKR-RYUDHWBXSA-N -1 0 316.402 -0.012 20 0 DBADRM CS(=O)(=O)CCNC(=S)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000739984964 603375857 /nfs/dbraw/zinc/37/58/57/603375857.db2.gz RRRXWWVDAXHVPM-BDAKNGLRSA-N -1 0 323.440 -0.069 20 0 DBADRM CCN(CCCNC(=O)C[C@H](C)NC(=O)[O-])S(C)(=O)=O ZINC000827116622 603376177 /nfs/dbraw/zinc/37/61/77/603376177.db2.gz MQPAEQYASWNOCF-VIFPVBQESA-N -1 0 309.388 -0.180 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739138123 603377198 /nfs/dbraw/zinc/37/71/98/603377198.db2.gz VWAVZLMRZJZEQH-ZJUUUORDSA-N -1 0 319.383 -0.474 20 0 DBADRM O=C([O-])Nc1ccc(F)c(NC(=O)C(=O)N2CCNC(=O)C2)c1 ZINC000740706915 603390228 /nfs/dbraw/zinc/39/02/28/603390228.db2.gz ZSRZNPUSGBHBPE-UHFFFAOYSA-N -1 0 324.268 -0.188 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2CCN(C(=O)[O-])CC2)ccc1=O ZINC000737301506 603392154 /nfs/dbraw/zinc/39/21/54/603392154.db2.gz UDBZONJLJDAUCP-UHFFFAOYSA-N -1 0 322.321 -0.371 20 0 DBADRM CC(C)[C@@H](CNC(=S)NCCS(C)(=O)=O)NC(=O)[O-] ZINC000738794467 603397079 /nfs/dbraw/zinc/39/70/79/603397079.db2.gz QMYKKKLRMVLWSH-MRVPVSSYSA-N -1 0 311.429 -0.213 20 0 DBADRM CC(C)[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)NC(=O)[O-] ZINC000738777717 603401313 /nfs/dbraw/zinc/40/13/13/603401313.db2.gz MZFKTXFGCDTGJK-SNVBAGLBSA-N -1 0 321.337 -0.096 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)NC(=O)[O-] ZINC000738777490 603413483 /nfs/dbraw/zinc/41/34/83/603413483.db2.gz MZPRKNNPSXXJIW-VHSXEESVSA-N -1 0 321.399 -0.181 20 0 DBADRM NC(=O)Cn1cc(-c2nc(C3(NC(=O)[O-])CCCC3)no2)nn1 ZINC000831199735 603416528 /nfs/dbraw/zinc/41/65/28/603416528.db2.gz HXNFPOSGNPLKKD-UHFFFAOYSA-N -1 0 321.297 -0.150 20 0 DBADRM CCN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)C(=O)[O-] ZINC000739394689 603421987 /nfs/dbraw/zinc/42/19/87/603421987.db2.gz SJDGBBVCLDKSPF-UHFFFAOYSA-N -1 0 300.359 -0.781 20 0 DBADRM CCN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000739392394 603422449 /nfs/dbraw/zinc/42/24/49/603422449.db2.gz JKPUDOHEJSZOJN-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM CCN(CC(=O)N1CCN(S(=O)(=O)CC)CC1)C(=O)[O-] ZINC000739394618 603428318 /nfs/dbraw/zinc/42/83/18/603428318.db2.gz QMTQSWAGTDGKDS-UHFFFAOYSA-N -1 0 307.372 -0.520 20 0 DBADRM CN(CCCNC(=O)C(=O)Nc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000739670721 603430299 /nfs/dbraw/zinc/43/02/99/603430299.db2.gz SBIPTRYKGIMEFU-UHFFFAOYSA-N -1 0 322.321 -0.160 20 0 DBADRM O=C([O-])NC[C@H](C(=O)NN1CC(=O)NC1=O)c1ccccc1 ZINC000832409106 603433736 /nfs/dbraw/zinc/43/37/36/603433736.db2.gz XSPAYYHYHMKSQX-VIFPVBQESA-N -1 0 306.278 -0.379 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000737952562 603434497 /nfs/dbraw/zinc/43/44/97/603434497.db2.gz YSFBAKXNJFRDIB-VIFPVBQESA-N -1 0 324.341 -0.305 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)[C@@H]2CCCN2C(=O)[O-])n1 ZINC000739601153 603434754 /nfs/dbraw/zinc/43/47/54/603434754.db2.gz XZQLINOQXQYYRF-QMMMGPOBSA-N -1 0 310.314 -0.553 20 0 DBADRM COCCN(CC(=O)N[C@@]1(C(=O)OC)CCOC1)C(=O)[O-] ZINC000828976733 603442625 /nfs/dbraw/zinc/44/26/25/603442625.db2.gz RFXQKXJWCAUQBH-LBPRGKRZSA-N -1 0 304.299 -0.939 20 0 DBADRM O=C(COC(=O)COC1CN(C(=O)[O-])C1)NCC1CCC1 ZINC000831507872 603446732 /nfs/dbraw/zinc/44/67/32/603446732.db2.gz RZBASRCVQGITRG-UHFFFAOYSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])N1CCN(CC(=O)OCCOc2cccnc2)C(=O)C1 ZINC000831488435 603448542 /nfs/dbraw/zinc/44/85/42/603448542.db2.gz FNBJFRKANRAOML-UHFFFAOYSA-N -1 0 323.305 -0.174 20 0 DBADRM C[C@H](CC(=O)N1CCN(CCn2cncn2)CC1)NC(=O)[O-] ZINC000824598894 603449703 /nfs/dbraw/zinc/44/97/03/603449703.db2.gz ILVWZNBPGFNQCY-LLVKDONJSA-N -1 0 310.358 -0.532 20 0 DBADRM O=C([O-])N1CC(CC(=O)N2CCN(CCn3cncn3)CC2)C1 ZINC000831841916 603450871 /nfs/dbraw/zinc/45/08/71/603450871.db2.gz KUUGOJGCCGYSMZ-UHFFFAOYSA-N -1 0 322.369 -0.578 20 0 DBADRM CN(CC(C)(C)CNC(=O)[O-])S(=O)(=O)N1CCOCC1 ZINC000828155010 603452932 /nfs/dbraw/zinc/45/29/32/603452932.db2.gz SJNUCUIVYRIDED-UHFFFAOYSA-N -1 0 309.388 -0.211 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)COC2CN(C(=O)[O-])C2)C[C@@H]1C ZINC000828638688 603454136 /nfs/dbraw/zinc/45/41/36/603454136.db2.gz BWFXHUPFRHHYPU-WPRPVWTQSA-N -1 0 300.311 -0.367 20 0 DBADRM Nc1nc(N)nc(COC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)n1 ZINC000831265307 603455653 /nfs/dbraw/zinc/45/56/53/603455653.db2.gz GTRRIRJUHSGRDY-BQBZGAKWSA-N -1 0 310.314 -0.094 20 0 DBADRM CNS(=O)(=O)CC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000828580101 603455805 /nfs/dbraw/zinc/45/58/05/603455805.db2.gz UTLUHGFLCNIYOV-UHFFFAOYSA-N -1 0 315.351 -0.016 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)NCC(C)(C)NC(=O)[O-])CC2 ZINC000831050332 603456862 /nfs/dbraw/zinc/45/68/62/603456862.db2.gz KVFRSIPBEYIMAJ-UHFFFAOYSA-N -1 0 323.353 -0.106 20 0 DBADRM C[C@H](CC(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@H]1C)NC(=O)[O-] ZINC000824622009 603460991 /nfs/dbraw/zinc/46/09/91/603460991.db2.gz JMFDDDMOKVGIHV-OPRDCNLKSA-N -1 0 321.399 -0.181 20 0 DBADRM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)CNC(=O)[O-])[C@H](C)C1 ZINC000826067351 603461881 /nfs/dbraw/zinc/46/18/81/603461881.db2.gz KKSHYZXWRCBHRT-ZJUUUORDSA-N -1 0 321.399 -0.181 20 0 DBADRM CNC(=O)CN1CCN(C(=O)C[C@H]2CCCN2C(=O)[O-])CC1 ZINC000828542747 603473539 /nfs/dbraw/zinc/47/35/39/603473539.db2.gz NVEYMUFWCYVYFY-LLVKDONJSA-N -1 0 312.370 -0.591 20 0 DBADRM COC(=O)CCCS(=O)(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828670992 603475600 /nfs/dbraw/zinc/47/56/00/603475600.db2.gz PABPKTXSGMJZDY-SECBINFHSA-N -1 0 308.356 -0.047 20 0 DBADRM CCC(CC)(CNS(=O)(=O)N1CCOCC1)NC(=O)[O-] ZINC000826561031 603477769 /nfs/dbraw/zinc/47/77/69/603477769.db2.gz HKLNSZGMUANJNF-UHFFFAOYSA-N -1 0 309.388 -0.021 20 0 DBADRM CN(C(=O)c1cn(CC(N)=O)nn1)C1CCC(NC(=O)[O-])CC1 ZINC000827945267 603484168 /nfs/dbraw/zinc/48/41/68/603484168.db2.gz LVSDOORXKILKSO-UHFFFAOYSA-N -1 0 324.341 -0.586 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000831190139 603484733 /nfs/dbraw/zinc/48/47/33/603484733.db2.gz NQDWPRPKPOSTPQ-MNOVXSKESA-N -1 0 312.370 -0.558 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000831190138 603484757 /nfs/dbraw/zinc/48/47/57/603484757.db2.gz NQDWPRPKPOSTPQ-GHMZBOCLSA-N -1 0 312.370 -0.558 20 0 DBADRM COC(=O)c1cn(CC(=O)N[C@H](CNC(=O)[O-])C2CC2)nn1 ZINC000828804578 603497100 /nfs/dbraw/zinc/49/71/00/603497100.db2.gz NOKGIENHXDMCEJ-MRVPVSSYSA-N -1 0 311.298 -0.773 20 0 DBADRM COC(=O)c1cn(CC(=O)N[C@@H](CNC(=O)[O-])C2CC2)nn1 ZINC000828804580 603497237 /nfs/dbraw/zinc/49/72/37/603497237.db2.gz NOKGIENHXDMCEJ-QMMMGPOBSA-N -1 0 311.298 -0.773 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000824143524 603502796 /nfs/dbraw/zinc/50/27/96/603502796.db2.gz NMPSCVSZIFMTJG-VHSXEESVSA-N -1 0 321.399 -0.229 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)[C@@H]2CCCS2)CC1 ZINC000831616188 603507200 /nfs/dbraw/zinc/50/72/00/603507200.db2.gz PQLBKGAXJZWIPA-VIFPVBQESA-N -1 0 301.368 -0.180 20 0 DBADRM CN1CCN(C(=O)COc2cccnc2)[C@@H](CNC(=O)[O-])C1 ZINC000828499994 603507375 /nfs/dbraw/zinc/50/73/75/603507375.db2.gz CXSIAWWDTVTDRH-NSHDSACASA-N -1 0 308.338 -0.129 20 0 DBADRM CN1CCN(C(=O)C2=NN(C)C(=O)CC2)[C@H](CNC(=O)[O-])C1 ZINC000828485970 603512214 /nfs/dbraw/zinc/51/22/14/603512214.db2.gz ASNFIBFLWFSQFX-SECBINFHSA-N -1 0 311.342 -0.995 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000827517908 603515847 /nfs/dbraw/zinc/51/58/47/603515847.db2.gz DVFHQAJYGAIDGV-QWRGUYRKSA-N -1 0 313.354 -0.071 20 0 DBADRM COCc1cc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])no1 ZINC000829036330 603517057 /nfs/dbraw/zinc/51/70/57/603517057.db2.gz TYNDQXIUWADHJH-SECBINFHSA-N -1 0 312.326 -0.155 20 0 DBADRM CN1CCN(C(=O)CCN2CCCC2=O)[C@H](CNC(=O)[O-])C1 ZINC000828495344 603518330 /nfs/dbraw/zinc/51/83/30/603518330.db2.gz PLBYWXOAKAYZFN-LLVKDONJSA-N -1 0 312.370 -0.591 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)CCN2CCCS2(=O)=O)C1 ZINC000827841423 603518913 /nfs/dbraw/zinc/51/89/13/603518913.db2.gz SRMFCPFZGPLEEX-SNVBAGLBSA-N -1 0 319.383 -0.377 20 0 DBADRM COc1ccc(COC(=O)CN2CCN(C(=O)[O-])CC2=O)cn1 ZINC000829396455 603519021 /nfs/dbraw/zinc/51/90/21/603519021.db2.gz HXEZCBUGOBNOIM-UHFFFAOYSA-N -1 0 323.305 -0.044 20 0 DBADRM COCCN(CCOC)CN1CC2(CN(C(=O)[O-])C2)CC1=O ZINC000828979946 603519763 /nfs/dbraw/zinc/51/97/63/603519763.db2.gz PIVSGWYBVHFSIS-UHFFFAOYSA-N -1 0 315.370 -0.249 20 0 DBADRM Cn1cc(CCC(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])cn1 ZINC000828499895 603521099 /nfs/dbraw/zinc/52/10/99/603521099.db2.gz BKCRVUQOOGNRER-GFCCVEGCSA-N -1 0 309.370 -0.237 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000831240654 603524338 /nfs/dbraw/zinc/52/43/38/603524338.db2.gz OTVJEYLLEVFJPI-IVZWLZJFSA-N -1 0 319.383 -0.298 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)C[C@H]2CCCN2C(=O)[O-])C1 ZINC000831240210 603524427 /nfs/dbraw/zinc/52/44/27/603524427.db2.gz MDMSNZSKCIPCRC-NXEZZACHSA-N -1 0 319.383 -0.202 20 0 DBADRM Cc1oc(C(=O)NCCN(C)C(=O)[O-])cc1S(N)(=O)=O ZINC000830943047 603524871 /nfs/dbraw/zinc/52/48/71/603524871.db2.gz TXAXZAPCXFWNCA-UHFFFAOYSA-N -1 0 305.312 -0.425 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000736421222 603526008 /nfs/dbraw/zinc/52/60/08/603526008.db2.gz LIRKQQRFTHPNNB-VHSXEESVSA-N -1 0 321.399 -0.052 20 0 DBADRM Cn1cc(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000831008746 603542414 /nfs/dbraw/zinc/54/24/14/603542414.db2.gz AYNUPBOVPILTJY-JGVFFNPUSA-N -1 0 310.310 -0.541 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@@H]3CC[C@@H](NC(=O)[O-])C3)C2)C1=O ZINC000828445777 603542744 /nfs/dbraw/zinc/54/27/44/603542744.db2.gz OMSLWICHQFBZNI-NUPCCRGMSA-N -1 0 324.337 -0.425 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000827841099 603543066 /nfs/dbraw/zinc/54/30/66/603543066.db2.gz MDEBEZNCISVOIW-SECBINFHSA-N -1 0 310.310 -0.863 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)Cn2cnc3c2ncnc3N)C1 ZINC000827846231 603543072 /nfs/dbraw/zinc/54/30/72/603543072.db2.gz HFHNIMWSMBCLEU-MRVPVSSYSA-N -1 0 319.325 -0.381 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)COC2CN(C(=O)[O-])C2)C1=O ZINC000824350155 603545992 /nfs/dbraw/zinc/54/59/92/603545992.db2.gz BYLFHXNKYKXJAR-VIFPVBQESA-N -1 0 313.310 -0.983 20 0 DBADRM Cn1cc([C@H]2CN(C(=O)COCCNC(=O)[O-])CCO2)cn1 ZINC000831000189 603548434 /nfs/dbraw/zinc/54/84/34/603548434.db2.gz UMSJPWOLLTVSQB-LLVKDONJSA-N -1 0 312.326 -0.396 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)[O-])CC1 ZINC000823749321 603549326 /nfs/dbraw/zinc/54/93/26/603549326.db2.gz VORFVHXQXNPZMB-SNVBAGLBSA-N -1 0 312.370 -0.463 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC000827829794 603554672 /nfs/dbraw/zinc/55/46/72/603554672.db2.gz MRZNILJDQHNPMN-QMMMGPOBSA-N -1 0 307.372 -0.475 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)C(C)(C)NC(=O)[O-] ZINC000828162346 603561751 /nfs/dbraw/zinc/56/17/51/603561751.db2.gz NRCGLWWBAWQZOO-JTQLQIEISA-N -1 0 303.359 -0.816 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CCO1 ZINC000828638353 603566394 /nfs/dbraw/zinc/56/63/94/603566394.db2.gz ABZICPHIVBJPDV-UTLUCORTSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CCO1 ZINC000828638351 603566499 /nfs/dbraw/zinc/56/64/99/603566499.db2.gz ABZICPHIVBJPDV-BBBLOLIVSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CCO1 ZINC000828638350 603566512 /nfs/dbraw/zinc/56/65/12/603566512.db2.gz ABZICPHIVBJPDV-AEJSXWLSSA-N -1 0 300.311 -0.177 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000825057907 603566817 /nfs/dbraw/zinc/56/68/17/603566817.db2.gz YLSDLMCYEAVUJA-LLVKDONJSA-N -1 0 324.385 -0.143 20 0 DBADRM O=C(CC1CN(C(=O)[O-])C1)NCCN1CCCS1(=O)=O ZINC000831360645 603569576 /nfs/dbraw/zinc/56/95/76/603569576.db2.gz LHOVSOMHGULJHN-UHFFFAOYSA-N -1 0 305.356 -0.862 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2CCC[C@@H](CNC(=O)[O-])C2)c1=O ZINC000830964180 603582494 /nfs/dbraw/zinc/58/24/94/603582494.db2.gz PMKCCQDNBKKBIT-QMMMGPOBSA-N -1 0 310.310 -0.394 20 0 DBADRM CO[C@H](C)c1noc(COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])n1 ZINC000828835612 603583173 /nfs/dbraw/zinc/58/31/73/603583173.db2.gz FIYMDVBQFZNQAN-GJMOJQLCSA-N -1 0 315.282 -0.067 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(C)(C)NC(=O)[O-] ZINC000828578750 603585168 /nfs/dbraw/zinc/58/51/68/603585168.db2.gz CXGSHJUEDFPVEK-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H]1CS(=O)(=O)NC ZINC000826742479 603585186 /nfs/dbraw/zinc/58/51/86/603585186.db2.gz AULITYKBQBKJBV-ZJUUUORDSA-N -1 0 321.399 -0.037 20 0 DBADRM COC(=O)[C@H]1CCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000828640139 603586367 /nfs/dbraw/zinc/58/63/67/603586367.db2.gz JSUGSSDJQCCHQK-JTQLQIEISA-N -1 0 311.338 -0.349 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@@H](C3CC3)C2)n(C)c1=O ZINC000826355604 608152017 /nfs/dbraw/zinc/15/20/17/608152017.db2.gz HHDKBHNOTDZRGM-SECBINFHSA-N -1 0 317.353 -0.500 20 0 DBADRM CN(CN1CC2(CN(C(=O)[O-])C2)CC1=O)[C@H]1CCN(C)C1=O ZINC000828464350 603591864 /nfs/dbraw/zinc/59/18/64/603591864.db2.gz AIIQMCOELBYTAR-JTQLQIEISA-N -1 0 310.354 -0.681 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2CCC(CNC(=O)[O-])CC2)c1=O ZINC000830964351 603592577 /nfs/dbraw/zinc/59/25/77/603592577.db2.gz QLJKKQCWPITOFD-UHFFFAOYSA-N -1 0 310.310 -0.394 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@](C)(CNC(=O)[O-])CC(C)C ZINC000828573152 603593111 /nfs/dbraw/zinc/59/31/11/603593111.db2.gz NJXHQJLMGVWILB-NSHDSACASA-N -1 0 309.388 -0.276 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1=O ZINC000830964719 603595556 /nfs/dbraw/zinc/59/55/56/603595556.db2.gz UEDXVOZQZMZGET-BDAKNGLRSA-N -1 0 322.321 -0.157 20 0 DBADRM CC(C)OCCS(=O)(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000824404648 603595955 /nfs/dbraw/zinc/59/59/55/603595955.db2.gz KLBMEMCCYJBWFE-NSHDSACASA-N -1 0 323.415 -0.375 20 0 DBADRM CN(Cc1cc[nH]n1)CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O ZINC000828350340 603602015 /nfs/dbraw/zinc/60/20/15/603602015.db2.gz DHJVXMQVYJPGKZ-LLVKDONJSA-N -1 0 308.342 -0.101 20 0 DBADRM O=C([O-])N1CCN2C(=O)N(CN3CCn4ccnc4C3)C[C@@H]2C1 ZINC000832041820 603605775 /nfs/dbraw/zinc/60/57/75/603605775.db2.gz BUDMHTWHDVMYPS-NSHDSACASA-N -1 0 320.353 -0.244 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000827847145 603611249 /nfs/dbraw/zinc/61/12/49/603611249.db2.gz UOVCOTRDIAVSLA-IUCAKERBSA-N -1 0 305.356 -0.433 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])C1 ZINC000831239584 603622802 /nfs/dbraw/zinc/62/28/02/603622802.db2.gz IKZUPQMSFUFOLC-BBBLOLIVSA-N -1 0 319.383 -0.298 20 0 DBADRM O=C(C[C@H]1CCS(=O)(=O)C1)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000831350888 603632363 /nfs/dbraw/zinc/63/23/63/603632363.db2.gz SMMXNKYILRNEGJ-SCZZXKLOSA-N -1 0 319.335 -0.324 20 0 DBADRM CC(C)N(CC(N)=O)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000824329327 603634287 /nfs/dbraw/zinc/63/42/87/603634287.db2.gz CTBNCYCSWICCET-UHFFFAOYSA-N -1 0 314.386 -0.217 20 0 DBADRM NC(=O)c1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000831222295 603634927 /nfs/dbraw/zinc/63/49/27/603634927.db2.gz AYFDYTRWPYDQDJ-WDEREUQCSA-N -1 0 307.306 -0.485 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000824136136 603639051 /nfs/dbraw/zinc/63/90/51/603639051.db2.gz IVNFSGRGTJHKRV-LBPRGKRZSA-N -1 0 308.338 -0.043 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCCNC(=O)[O-] ZINC000826073981 603639792 /nfs/dbraw/zinc/63/97/92/603639792.db2.gz FWITYAYRWLRXOR-BDAKNGLRSA-N -1 0 322.387 -0.777 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC000832247295 603639769 /nfs/dbraw/zinc/63/97/69/603639769.db2.gz OMVNFLKENVGVHH-RBDZCENOSA-N -1 0 310.310 -0.767 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000827524399 603640304 /nfs/dbraw/zinc/64/03/04/603640304.db2.gz KEDSVSGMLMGKRN-UVPNAGLESA-N -1 0 312.326 -0.473 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)[C@H]1CCN(C(=O)[O-])C1)CC2 ZINC000831051180 603640310 /nfs/dbraw/zinc/64/03/10/603640310.db2.gz XYARPTZIVHVOOS-VIFPVBQESA-N -1 0 306.322 -0.335 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000831778187 603640407 /nfs/dbraw/zinc/64/04/07/603640407.db2.gz MFFSSJKBSRXPLR-QWRGUYRKSA-N -1 0 318.293 -0.286 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000827524398 603640846 /nfs/dbraw/zinc/64/08/46/603640846.db2.gz KEDSVSGMLMGKRN-UPFKWVMWSA-N -1 0 312.326 -0.473 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCNS(C)(=O)=O ZINC000826108574 603645315 /nfs/dbraw/zinc/64/53/15/603645315.db2.gz GYEUCIHSTWZKKH-JGVFFNPUSA-N -1 0 323.371 -0.845 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000831758135 603648378 /nfs/dbraw/zinc/64/83/78/603648378.db2.gz TULWCYLHZXBIJD-NXEZZACHSA-N -1 0 318.293 -0.286 20 0 DBADRM Cc1ncc2c(n1)CC[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])C2 ZINC000830812816 603648783 /nfs/dbraw/zinc/64/87/83/603648783.db2.gz KGDYNADGSJVMMY-GMXVVIOVSA-N -1 0 320.349 -0.128 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000827265414 603653080 /nfs/dbraw/zinc/65/30/80/603653080.db2.gz IVWUGBKRZICUJP-VIFPVBQESA-N -1 0 322.387 -0.681 20 0 DBADRM C[C@@H](CC(=O)N1CCN(CC[S@](C)=O)CC1)NC(=O)[O-] ZINC000824593486 603660988 /nfs/dbraw/zinc/66/09/88/603660988.db2.gz YCGZZZAJMBDHGV-FVINQWEUSA-N -1 0 305.400 -0.445 20 0 DBADRM C[C@H](CC(=O)N1CCN(CC[S@@](C)=O)CC1)NC(=O)[O-] ZINC000824593482 603661119 /nfs/dbraw/zinc/66/11/19/603661119.db2.gz YCGZZZAJMBDHGV-CFMSYZGJSA-N -1 0 305.400 -0.445 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000823952672 603663356 /nfs/dbraw/zinc/66/33/56/603663356.db2.gz RGNWTILJJMVCTJ-SECBINFHSA-N -1 0 321.399 -0.193 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000824191027 603664763 /nfs/dbraw/zinc/66/47/63/603664763.db2.gz RYRLFFCWOJPGAS-VHSXEESVSA-N -1 0 316.358 -0.436 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000824191023 603664977 /nfs/dbraw/zinc/66/49/77/603664977.db2.gz RYRLFFCWOJPGAS-NXEZZACHSA-N -1 0 316.358 -0.436 20 0 DBADRM Cc1nnc(CN(C)CC(=O)NCCCN(C)C(=O)[O-])n1C ZINC000830887325 603673476 /nfs/dbraw/zinc/67/34/76/603673476.db2.gz HLNSZTVEQXQZLM-UHFFFAOYSA-N -1 0 312.374 -0.329 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)C(C)(C)CNC(=O)[O-])C1 ZINC000828572781 603674093 /nfs/dbraw/zinc/67/40/93/603674093.db2.gz ILLFHTFIIHUYRD-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)[C@H]1CNC(=O)[O-] ZINC000825919551 603675753 /nfs/dbraw/zinc/67/57/53/603675753.db2.gz OQNFOUCVUQKFLC-SCZZXKLOSA-N -1 0 324.337 -0.006 20 0 DBADRM C[C@@H](Cn1cccn1)OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000825056494 603677130 /nfs/dbraw/zinc/67/71/30/603677130.db2.gz PQHFCOHOKUJRAO-JTQLQIEISA-N -1 0 310.310 -0.363 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000823951946 603678859 /nfs/dbraw/zinc/67/88/59/603678859.db2.gz LSOYYANJOCKQRM-MRVPVSSYSA-N -1 0 307.372 -0.440 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000823969871 603679599 /nfs/dbraw/zinc/67/95/99/603679599.db2.gz WRGZVATWFBRJDC-UHFFFAOYSA-N -1 0 320.327 -0.154 20 0 DBADRM CN(C(=O)CC1SC(=N)NC1=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827754630 603682805 /nfs/dbraw/zinc/68/28/05/603682805.db2.gz ZRVMGOQVBHKNLZ-NKWVEPMBSA-N -1 0 300.340 -0.246 20 0 DBADRM CN(C(=O)CC1SC(=N)NC1=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827754627 603683208 /nfs/dbraw/zinc/68/32/08/603683208.db2.gz ZRVMGOQVBHKNLZ-BQBZGAKWSA-N -1 0 300.340 -0.246 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000826751971 603684576 /nfs/dbraw/zinc/68/45/76/603684576.db2.gz QZQKHWSIZRIPHL-SNVBAGLBSA-N -1 0 314.386 -0.169 20 0 DBADRM Cc1cc(=O)c(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c[nH]1 ZINC000829899775 603686624 /nfs/dbraw/zinc/68/66/24/603686624.db2.gz LRXWNTAFCLACKY-UHFFFAOYSA-N -1 0 322.321 -0.765 20 0 DBADRM CN(C(=O)CCCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827750876 603686844 /nfs/dbraw/zinc/68/68/44/603686844.db2.gz BUBLPTGREAGYOQ-VIFPVBQESA-N -1 0 312.326 -0.471 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000829687322 603687130 /nfs/dbraw/zinc/68/71/30/603687130.db2.gz KIHXDLGLFAQBEC-RKDXNWHRSA-N -1 0 322.387 -0.729 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC000737846788 603687595 /nfs/dbraw/zinc/68/75/95/603687595.db2.gz WEAWQJKSDIXYKV-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000828543808 603688861 /nfs/dbraw/zinc/68/88/61/603688861.db2.gz YLZDTDHGIMFHEK-UHFFFAOYSA-N -1 0 322.321 -0.403 20 0 DBADRM C[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1CNC(=O)[O-] ZINC000825904951 603688945 /nfs/dbraw/zinc/68/89/45/603688945.db2.gz JMWSDWLGPWGAIA-DTWKUNHWSA-N -1 0 312.326 -0.567 20 0 DBADRM COCCN1C[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)CC1=O ZINC000828984426 603689241 /nfs/dbraw/zinc/68/92/41/603689241.db2.gz DVNITEIOBWHORZ-WDEREUQCSA-N -1 0 313.354 -0.308 20 0 DBADRM CNC(=O)CCOC1CCN(C(=O)NCCNC(=O)[O-])CC1 ZINC000828537182 603692822 /nfs/dbraw/zinc/69/28/22/603692822.db2.gz CQYFETLIZNGFPI-UHFFFAOYSA-N -1 0 316.358 -0.419 20 0 DBADRM COC(=O)N1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000828705488 603693766 /nfs/dbraw/zinc/69/37/66/603693766.db2.gz VYJRMKOZKKGLGJ-ZJUUUORDSA-N -1 0 315.326 -0.553 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)[O-] ZINC000825508668 603693876 /nfs/dbraw/zinc/69/38/76/603693876.db2.gz JHIMCTJSZVPZMO-GUBZILKMSA-N -1 0 321.399 -0.181 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CCCC[C@@H]1CNC(=O)[O-] ZINC000825508126 603702198 /nfs/dbraw/zinc/70/21/98/603702198.db2.gz GRBNOXRWBPDAFY-RKDXNWHRSA-N -1 0 307.372 -0.427 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)C(C)(C)CNC(=O)[O-] ZINC000828162323 603702172 /nfs/dbraw/zinc/70/21/72/603702172.db2.gz MYMBJYRUPNKSAY-LLVKDONJSA-N -1 0 317.386 -0.568 20 0 DBADRM O=C([O-])NCCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000832642346 603707123 /nfs/dbraw/zinc/70/71/23/603707123.db2.gz XLUDFHVAETXCJW-UHFFFAOYSA-N -1 0 320.305 -0.106 20 0 DBADRM C[C@H]1CCCN(CC(=O)N2CCNC(=O)C2)[C@@H]1CNC(=O)[O-] ZINC000825918037 603707606 /nfs/dbraw/zinc/70/76/06/603707606.db2.gz BJPPZOTVQKGUEH-WDEREUQCSA-N -1 0 312.370 -0.687 20 0 DBADRM Cc1nnc(CN(C)CC(=O)NCC[C@@H](C)NC(=O)[O-])n1C ZINC000830887708 603721863 /nfs/dbraw/zinc/72/18/63/603721863.db2.gz QVYONUBCVAOPLT-SECBINFHSA-N -1 0 312.374 -0.282 20 0 DBADRM CN(C(=O)CCSc1nnnn1C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827758661 603722784 /nfs/dbraw/zinc/72/27/84/603722784.db2.gz ALMSFZYKUYQHSH-MRVPVSSYSA-N -1 0 314.371 -0.097 20 0 DBADRM CN(C)C(=O)[C@@H]1CSCN1C(=O)CC1CN(C(=O)[O-])C1 ZINC000827953296 603731337 /nfs/dbraw/zinc/73/13/37/603731337.db2.gz GPDOGVNSVVDSMU-VIFPVBQESA-N -1 0 301.368 -0.024 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCC(=O)Nc1cccnc1 ZINC000831433861 603731949 /nfs/dbraw/zinc/73/19/49/603731949.db2.gz XHQHXQKKLQQUNU-WDEREUQCSA-N -1 0 322.321 -0.360 20 0 DBADRM CC(C)(C(=O)NCCn1cncn1)N1CCN(C(=O)[O-])CC1 ZINC000823743480 603734486 /nfs/dbraw/zinc/73/44/86/603734486.db2.gz HVSWVSFKNRVALZ-UHFFFAOYSA-N -1 0 310.358 -0.532 20 0 DBADRM O=C(CC1CN(C(=O)[O-])C1)NCCCN1CCCS1(=O)=O ZINC000831360934 603736264 /nfs/dbraw/zinc/73/62/64/603736264.db2.gz RAJNKPDUKSNZRV-UHFFFAOYSA-N -1 0 319.383 -0.472 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000824020890 603736664 /nfs/dbraw/zinc/73/66/64/603736664.db2.gz YUFUAWUCMHKMLZ-DTWKUNHWSA-N -1 0 321.399 -0.133 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)CCNC(=O)[O-] ZINC000829687885 603737649 /nfs/dbraw/zinc/73/76/49/603737649.db2.gz OVFIBQNWFLSPKT-BDAKNGLRSA-N -1 0 307.372 -0.522 20 0 DBADRM CNC(=O)N1CCN(C(=O)CN(CCOC)C(=O)[O-])CC1 ZINC000828552793 603739523 /nfs/dbraw/zinc/73/95/23/603739523.db2.gz ZVOPFFSVHDYHOL-UHFFFAOYSA-N -1 0 302.331 -0.904 20 0 DBADRM CCN(CC)C(=O)CN(C)C(=O)COC1CN(C(=O)[O-])C1 ZINC000827025836 603741824 /nfs/dbraw/zinc/74/18/24/603741824.db2.gz VRWOLQZBSDCUQW-UHFFFAOYSA-N -1 0 301.343 -0.308 20 0 DBADRM CC1(C)CN(C(=O)COC2CN(C(=O)[O-])C2)CCS1(=O)=O ZINC000825718795 603744083 /nfs/dbraw/zinc/74/40/83/603744083.db2.gz JULYHBVAFKOTHD-UHFFFAOYSA-N -1 0 320.367 -0.599 20 0 DBADRM CC1(C)CN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CCS1(=O)=O ZINC000825718290 603744131 /nfs/dbraw/zinc/74/41/31/603744131.db2.gz DLNRJBHYOBIZIV-RKDXNWHRSA-N -1 0 320.367 -0.865 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)NCCNC(=O)[O-])C2=O)n(C)n1 ZINC000830079023 603745948 /nfs/dbraw/zinc/74/59/48/603745948.db2.gz PZVIUBABCWNRCA-SECBINFHSA-N -1 0 324.341 -0.599 20 0 DBADRM Cn1cc(N2CCC[C@@H](NC(=O)NCCNC(=O)[O-])C2)cn1 ZINC000831009544 603746755 /nfs/dbraw/zinc/74/67/55/603746755.db2.gz XPODDXVOHCLJAI-SNVBAGLBSA-N -1 0 310.358 -0.044 20 0 DBADRM O=C(CNC(=O)COC1CN(C(=O)[O-])C1)NCc1ccco1 ZINC000831492860 603747336 /nfs/dbraw/zinc/74/73/36/603747336.db2.gz JPDKKZHCYJKQCJ-UHFFFAOYSA-N -1 0 311.294 -0.609 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)c2cc(CO)on2)CC1 ZINC000831675330 603748218 /nfs/dbraw/zinc/74/82/18/603748218.db2.gz ADRBPGJFVRPDJZ-UHFFFAOYSA-N -1 0 312.326 -0.418 20 0 DBADRM CS(=O)(=O)NCCOC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000829688827 603754581 /nfs/dbraw/zinc/75/45/81/603754581.db2.gz WSMKJLHDQCLUKY-UHFFFAOYSA-N -1 0 308.356 -0.093 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)S(=O)(=O)CC1CC1 ZINC000828316718 603755980 /nfs/dbraw/zinc/75/59/80/603755980.db2.gz SSYUJZHQRHTUNR-UHFFFAOYSA-N -1 0 305.400 -0.046 20 0 DBADRM CNC(=O)CCOC1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000828537137 603756399 /nfs/dbraw/zinc/75/63/99/603756399.db2.gz BFAOGVYOUSFPKL-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM CC(=O)N1CCC(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000823549905 603757116 /nfs/dbraw/zinc/75/71/16/603757116.db2.gz LTNGQHOSXANWSD-NEPJUHHUSA-N -1 0 313.354 -0.526 20 0 DBADRM CC(C)(C(=O)N1CC[C@H](C(N)=O)C1)N1CCN(C(=O)[O-])CC1 ZINC000823738586 603757529 /nfs/dbraw/zinc/75/75/29/603757529.db2.gz ZCHMHEWHPXLWST-JTQLQIEISA-N -1 0 312.370 -0.606 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCCN1CCCCC1=O ZINC000831675786 603763035 /nfs/dbraw/zinc/76/30/35/603763035.db2.gz IPXVKHGKVLRLBS-WDEREUQCSA-N -1 0 313.354 -0.382 20 0 DBADRM C[C@H](CCNC(=O)N1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000824794044 603763262 /nfs/dbraw/zinc/76/32/62/603763262.db2.gz RHFQWWNHTACSEI-SECBINFHSA-N -1 0 322.387 -0.681 20 0 DBADRM CC(C)(C)N1C[C@H](NC(=O)[C@@H]2COCCN2C(=O)[O-])CC1=O ZINC000823774319 603763946 /nfs/dbraw/zinc/76/39/46/603763946.db2.gz ZGYOCGBZBGUATF-ZJUUUORDSA-N -1 0 313.354 -0.119 20 0 DBADRM CCN(CC(=O)N[C@@H](CC(N)=O)C1CCOCC1)C(=O)[O-] ZINC000827001667 603766165 /nfs/dbraw/zinc/76/61/65/603766165.db2.gz CLYGTKDIBPDSDR-JTQLQIEISA-N -1 0 301.343 -0.227 20 0 DBADRM NC(=O)C[C@H](NC(=O)CCCNC(=O)[O-])C1CCOCC1 ZINC000831178070 603766334 /nfs/dbraw/zinc/76/63/34/603766334.db2.gz FAFIRDTVMOCBKD-JTQLQIEISA-N -1 0 301.343 -0.179 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)C1CCOCC1 ZINC000831178960 603767010 /nfs/dbraw/zinc/76/70/10/603767010.db2.gz OKMYZBHNTWTOSH-GHMZBOCLSA-N -1 0 313.354 -0.227 20 0 DBADRM CCN(C(=O)COC1CN(C(=O)[O-])C1)[C@@H](C)CS(C)(=O)=O ZINC000826980472 603767856 /nfs/dbraw/zinc/76/78/56/603767856.db2.gz VZWAWEFFVNZJFW-VIFPVBQESA-N -1 0 322.383 -0.353 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)C2CCN(C(=O)[O-])CC2)C1 ZINC000827960072 603772249 /nfs/dbraw/zinc/77/22/49/603772249.db2.gz FIGHHABGXFNAQD-UHFFFAOYSA-N -1 0 313.354 -0.308 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])C1 ZINC000827961083 603772540 /nfs/dbraw/zinc/77/25/40/603772540.db2.gz PSKBUSNEAPKMHL-MNOVXSKESA-N -1 0 313.354 -0.262 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000828663883 603776197 /nfs/dbraw/zinc/77/61/97/603776197.db2.gz SGKKBYZTJZOUOS-NXEZZACHSA-N -1 0 300.311 -0.223 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000828663886 603776232 /nfs/dbraw/zinc/77/62/32/603776232.db2.gz SGKKBYZTJZOUOS-ZJUUUORDSA-N -1 0 300.311 -0.223 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCN(C(=O)[O-])C[C@@H]2C)cnn1C ZINC000829877791 603776671 /nfs/dbraw/zinc/77/66/71/603776671.db2.gz UTWILFOXXQOFDK-QMMMGPOBSA-N -1 0 309.326 -0.122 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@H](CNC(=O)[O-])C2CC2)cnn1C ZINC000829877701 603776691 /nfs/dbraw/zinc/77/66/91/603776691.db2.gz RAKIZHNERIQYBH-SNVBAGLBSA-N -1 0 309.326 -0.171 20 0 DBADRM COC1(C(=O)OCCCS(N)(=O)=O)CCN(C(=O)[O-])CC1 ZINC000828865847 603778104 /nfs/dbraw/zinc/77/81/04/603778104.db2.gz UCZANEMJTPTYHZ-UHFFFAOYSA-N -1 0 324.355 -0.633 20 0 DBADRM CNC(=O)Cc1noc(CN2CCN(C(=O)[O-])CC2(C)C)n1 ZINC000828547586 603780382 /nfs/dbraw/zinc/78/03/82/603780382.db2.gz SVFWZRHYTIWWNB-UHFFFAOYSA-N -1 0 311.342 -0.068 20 0 DBADRM CNC(=O)Cc1noc(CN2CC[C@@H](CN(C)C(=O)[O-])C2)n1 ZINC000828547800 603781443 /nfs/dbraw/zinc/78/14/43/603781443.db2.gz XHUOPKUPSMEQHT-VIFPVBQESA-N -1 0 311.342 -0.210 20 0 DBADRM CCCNC(=O)NC(=O)COC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000826925670 603783251 /nfs/dbraw/zinc/78/32/51/603783251.db2.gz JHEJAWSETZJLQH-LBPRGKRZSA-N -1 0 319.289 -0.143 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000831273465 603784710 /nfs/dbraw/zinc/78/47/10/603784710.db2.gz QSSQTJSSNGQKDV-TUAOUCFPSA-N -1 0 324.337 -0.776 20 0 DBADRM O=C([O-])NC1(C(=O)NCc2nnn[n-]2)Cc2ccccc2C1 ZINC000832175837 603784892 /nfs/dbraw/zinc/78/48/92/603784892.db2.gz OEXUVBNLAIUMIH-UHFFFAOYSA-N -1 0 302.294 -0.379 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)C(C)(C)NC(=O)[O-])CCN2C1=O ZINC000827198359 603785228 /nfs/dbraw/zinc/78/52/28/603785228.db2.gz HZDXRPHFUUGCHN-MRVPVSSYSA-N -1 0 312.326 -0.473 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000831283529 603785936 /nfs/dbraw/zinc/78/59/36/603785936.db2.gz OQSOTCZLPJTWDD-YUMQZZPRSA-N -1 0 300.340 -0.725 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)OCCN2C(=O)CNC2=O)C1 ZINC000831915251 603790532 /nfs/dbraw/zinc/79/05/32/603790532.db2.gz WNLBPBKOZALQTL-LLVKDONJSA-N -1 0 303.246 -0.827 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000828599900 603790773 /nfs/dbraw/zinc/79/07/73/603790773.db2.gz FMHGGAMFAIOSPB-RKDXNWHRSA-N -1 0 308.356 -0.143 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000828606600 603791030 /nfs/dbraw/zinc/79/10/30/603791030.db2.gz CBFQXLVWECMQMI-DTWKUNHWSA-N -1 0 308.356 -0.143 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCCOC[C@@H]1CCCO1 ZINC000831680106 603791140 /nfs/dbraw/zinc/79/11/40/603791140.db2.gz BWAOOMLCPMUZIV-WOPDTQHZSA-N -1 0 316.354 -0.199 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828608519 603791643 /nfs/dbraw/zinc/79/16/43/603791643.db2.gz RBKQLZGQYFNANE-DTWKUNHWSA-N -1 0 308.356 -0.143 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000828608518 603791722 /nfs/dbraw/zinc/79/17/22/603791722.db2.gz RBKQLZGQYFNANE-BDAKNGLRSA-N -1 0 308.356 -0.143 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828601158 603793727 /nfs/dbraw/zinc/79/37/27/603793727.db2.gz NCURGSQVBHWVMB-IUCAKERBSA-N -1 0 308.356 -0.191 20 0 DBADRM C[C@H](OC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000825543403 603794655 /nfs/dbraw/zinc/79/46/55/603794655.db2.gz CPQXDKRQTAHQMW-ZANVPECISA-N -1 0 318.301 -0.131 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)NCCN1C(=O)CCC1=O ZINC000832551681 603795039 /nfs/dbraw/zinc/79/50/39/603795039.db2.gz RMVLMJXKRKNAMD-VIFPVBQESA-N -1 0 312.326 -0.423 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1C(=O)NCCN1C(=O)CCC1=O ZINC000832551680 603795062 /nfs/dbraw/zinc/79/50/62/603795062.db2.gz RMVLMJXKRKNAMD-SECBINFHSA-N -1 0 312.326 -0.423 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N(C)CCN1CCCS1(=O)=O ZINC000827514466 603803733 /nfs/dbraw/zinc/80/37/33/603803733.db2.gz OWSZZQSZUBEAJR-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM COC(=O)C1(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CCCC1 ZINC000828618830 603803866 /nfs/dbraw/zinc/80/38/66/603803866.db2.gz QWROZBVAKKKYCW-VHSXEESVSA-N -1 0 314.338 -0.051 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCOC[C@@H]1CCCO1 ZINC000831693353 603804012 /nfs/dbraw/zinc/80/40/12/603804012.db2.gz NAGFZBAEIMCEKD-OUAUKWLOSA-N -1 0 302.327 -0.589 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCOC[C@@H]1CCCO1 ZINC000831693354 603804127 /nfs/dbraw/zinc/80/41/27/603804127.db2.gz NAGFZBAEIMCEKD-VWYCJHECSA-N -1 0 302.327 -0.589 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)CN(CC1CC1)C(=O)[O-] ZINC000828642257 603806270 /nfs/dbraw/zinc/80/62/70/603806270.db2.gz UKCFGMGVAGEIMT-JTQLQIEISA-N -1 0 300.311 -0.223 20 0 DBADRM COCCCn1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])n1 ZINC000828964210 603809176 /nfs/dbraw/zinc/80/91/76/603809176.db2.gz PDGCIRRDIZPVTQ-UWVGGRQHSA-N -1 0 312.326 -0.029 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000823568615 603810682 /nfs/dbraw/zinc/81/06/82/603810682.db2.gz QSBBQDHMNQAIEN-WCBMZHEXSA-N -1 0 316.335 -0.228 20 0 DBADRM COCCOC1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000828994940 603811907 /nfs/dbraw/zinc/81/19/07/603811907.db2.gz BISRETNDMAFVMP-CMPLNLGQSA-N -1 0 316.354 -0.246 20 0 DBADRM CN(CC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)C(=O)[O-] ZINC000828108916 603818500 /nfs/dbraw/zinc/81/85/00/603818500.db2.gz YARQZMVHPHLYBF-ISVAXAHUSA-N -1 0 312.326 -0.567 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[O-])CCO1 ZINC000828663545 603823327 /nfs/dbraw/zinc/82/33/27/603823327.db2.gz OHARRLUNIRVTGV-UWVGGRQHSA-N -1 0 300.311 -0.081 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)CC2CN(C(=O)[O-])C2)CCO1 ZINC000828663551 603823500 /nfs/dbraw/zinc/82/35/00/603823500.db2.gz OJFMKKUDVAYKBA-SNVBAGLBSA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@H](OC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])C(=O)Nc1ncccn1 ZINC000825550751 603827990 /nfs/dbraw/zinc/82/79/90/603827990.db2.gz CDSWIVBINYYSPZ-XHNCKOQMSA-N -1 0 324.293 -0.540 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC000827517703 603828264 /nfs/dbraw/zinc/82/82/64/603828264.db2.gz APNDUZRRYXJQPR-DTWKUNHWSA-N -1 0 312.326 -0.473 20 0 DBADRM C[C@@]1(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC000825755061 603828693 /nfs/dbraw/zinc/82/86/93/603828693.db2.gz IIIZUWVPQSFUPH-MNOVXSKESA-N -1 0 308.331 -0.228 20 0 DBADRM C[C@]1(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC000825755062 603828743 /nfs/dbraw/zinc/82/87/43/603828743.db2.gz IIIZUWVPQSFUPH-QWRGUYRKSA-N -1 0 308.331 -0.228 20 0 DBADRM O=C([O-])N1CCC(NC(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000831948609 603831072 /nfs/dbraw/zinc/83/10/72/603831072.db2.gz YVBXGKVQJHPSGT-JTQLQIEISA-N -1 0 311.342 -0.452 20 0 DBADRM CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[O-])C(=O)N1CCOCC1 ZINC000826591545 603831124 /nfs/dbraw/zinc/83/11/24/603831124.db2.gz BJQMDUGPOWFXRP-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(CC(C)(C)O)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000828155359 603833065 /nfs/dbraw/zinc/83/30/65/603833065.db2.gz YLNVRRCIUAOXGA-UHFFFAOYSA-N -1 0 316.358 -0.779 20 0 DBADRM CC1N=NC(=S)N1CCNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000830894968 603834351 /nfs/dbraw/zinc/83/43/51/603834351.db2.gz ZLOBKMLDDCFQEL-MRVPVSSYSA-N -1 0 315.355 -0.630 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000827475036 603837821 /nfs/dbraw/zinc/83/78/21/603837821.db2.gz DMXDWSYWSDHPRW-SNVBAGLBSA-N -1 0 311.335 -0.866 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000827974616 603840381 /nfs/dbraw/zinc/84/03/81/603840381.db2.gz BPRZOXOJRIAXAS-ZDUSSCGKSA-N -1 0 316.333 -0.096 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)NCCCN(C)C(=O)[O-])CCO1 ZINC000828663729 603842130 /nfs/dbraw/zinc/84/21/30/603842130.db2.gz QFJVMATVUOLJFL-SNVBAGLBSA-N -1 0 317.342 -0.040 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C[C@@H]1C ZINC000825528511 603845351 /nfs/dbraw/zinc/84/53/51/603845351.db2.gz OOULCMFOGJKDGN-BJDJZHNGSA-N -1 0 315.370 -0.987 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-])C(=O)N1CCNC1=O ZINC000825561854 603846572 /nfs/dbraw/zinc/84/65/72/603846572.db2.gz RLOGYVJGTCGKSR-YIZRAAEISA-N -1 0 313.310 -0.094 20 0 DBADRM O=C([O-])N1CCC(=O)[C@@H](OC(=O)CNC(=O)c2ccccn2)C1 ZINC000831492538 603849711 /nfs/dbraw/zinc/84/97/11/603849711.db2.gz DULDRNOKXFOYGL-NSHDSACASA-N -1 0 321.289 -0.324 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)C(=O)NC(N)=O ZINC000825559433 603855119 /nfs/dbraw/zinc/85/51/19/603855119.db2.gz DBBUWUDCFQIPCN-RNJXMRFFSA-N -1 0 301.299 -0.061 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000828664136 603855505 /nfs/dbraw/zinc/85/55/05/603855505.db2.gz WEERQXKNWQICLH-NXEZZACHSA-N -1 0 315.326 -0.288 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000828682695 603861500 /nfs/dbraw/zinc/86/15/00/603861500.db2.gz BBSMFIWYWCDBBD-DTWKUNHWSA-N -1 0 316.310 -0.355 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1=O ZINC000825860433 603866149 /nfs/dbraw/zinc/86/61/49/603866149.db2.gz JMEKPILQYAMWTR-SAVGLBRCSA-N -1 0 311.338 -0.775 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1=O ZINC000825860434 603866289 /nfs/dbraw/zinc/86/62/89/603866289.db2.gz JMEKPILQYAMWTR-UVOCVTCTSA-N -1 0 311.338 -0.775 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 ZINC000831987963 603870001 /nfs/dbraw/zinc/87/00/01/603870001.db2.gz ZIDWHLBDDZCDLH-NXEZZACHSA-N -1 0 311.342 -0.452 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000826093609 603879371 /nfs/dbraw/zinc/87/93/71/603879371.db2.gz IGKHESQKINOCML-ZWNOBZJWSA-N -1 0 303.334 -0.085 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000826093608 603879674 /nfs/dbraw/zinc/87/96/74/603879674.db2.gz IGKHESQKINOCML-MFKMUULPSA-N -1 0 303.334 -0.085 20 0 DBADRM Cc1nnc(CCNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])[nH]1 ZINC000830741688 603884594 /nfs/dbraw/zinc/88/45/94/603884594.db2.gz NLVDGXWSAGBBPW-SNVBAGLBSA-N -1 0 311.342 -0.069 20 0 DBADRM CNC(=O)CC1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000828532360 603886205 /nfs/dbraw/zinc/88/62/05/603886205.db2.gz RENINOZBSXIVGM-WDEREUQCSA-N -1 0 313.354 -0.526 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)c1ccc(C=O)[nH]1 ZINC000828095797 603892282 /nfs/dbraw/zinc/89/22/82/603892282.db2.gz NVXDRBSURYJUIQ-UHFFFAOYSA-N -1 0 322.321 -0.279 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000831246361 603894765 /nfs/dbraw/zinc/89/47/65/603894765.db2.gz QAIRWPCDUIGMHH-LDYMZIIASA-N -1 0 323.346 -0.642 20 0 DBADRM CCN1CCO[C@H](CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000827228402 603898487 /nfs/dbraw/zinc/89/84/87/603898487.db2.gz OJLBAGWXAMAWIK-MFKMUULPSA-N -1 0 303.334 -0.085 20 0 DBADRM CN(CCNC(=O)N1CCN(c2cnn(C)c2)CC1)C(=O)[O-] ZINC000828324545 603899672 /nfs/dbraw/zinc/89/96/72/603899672.db2.gz RODVXNWNESCFIS-UHFFFAOYSA-N -1 0 310.358 -0.139 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000823578770 603900042 /nfs/dbraw/zinc/90/00/42/603900042.db2.gz BFTTZYBFDRXSQO-GWCFXTLKSA-N -1 0 317.317 -0.558 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NC[C@@H](O)C2CCOCC2)C1 ZINC000831894190 603903066 /nfs/dbraw/zinc/90/30/66/603903066.db2.gz GOUWXAORTOAHHZ-ZWNOBZJWSA-N -1 0 304.318 -0.018 20 0 DBADRM C[C@@H](CN(C)CCN1CCN(C(=O)[O-])CC1)CS(C)(=O)=O ZINC000824902459 603904643 /nfs/dbraw/zinc/90/46/43/603904643.db2.gz MJCKOHXPTCBKNI-LBPRGKRZSA-N -1 0 321.443 -0.106 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000825509502 603909864 /nfs/dbraw/zinc/90/98/64/603909864.db2.gz QJFDPBTXJATBSK-CIUDSAMLSA-N -1 0 307.372 -0.523 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000825509507 603910060 /nfs/dbraw/zinc/91/00/60/603910060.db2.gz QJFDPBTXJATBSK-YIZRAAEISA-N -1 0 307.372 -0.523 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1C(=O)NCc1nnnn1C1CC1 ZINC000832557724 603910122 /nfs/dbraw/zinc/91/01/22/603910122.db2.gz YWYUERPOJRISOV-SECBINFHSA-N -1 0 309.330 -0.050 20 0 DBADRM O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])NCC(F)(F)F ZINC000831503954 603910917 /nfs/dbraw/zinc/91/09/17/603910917.db2.gz QQQSRJRMWRJBFR-ZCFIWIBFSA-N -1 0 314.216 -0.413 20 0 DBADRM CNC(=O)NC(=O)COC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000828551996 603916087 /nfs/dbraw/zinc/91/60/87/603916087.db2.gz KLHUQGNXRHMOPK-QMMMGPOBSA-N -1 0 317.298 -0.856 20 0 DBADRM CNC(=O)NC(=O)COC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000828551995 603916292 /nfs/dbraw/zinc/91/62/92/603916292.db2.gz KLHUQGNXRHMOPK-MRVPVSSYSA-N -1 0 317.298 -0.856 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000825508094 603921253 /nfs/dbraw/zinc/92/12/53/603921253.db2.gz GNZCISZBCBFSOB-GUBZILKMSA-N -1 0 321.399 -0.133 20 0 DBADRM C[C@@H](COC(=O)[C@H]1COCCN1C(=O)[O-])CS(C)(=O)=O ZINC000824987540 603924886 /nfs/dbraw/zinc/92/48/86/603924886.db2.gz NIHXLYUFCICHBZ-DTWKUNHWSA-N -1 0 309.340 -0.411 20 0 DBADRM C[C@H](COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])CS(C)(=O)=O ZINC000824980461 603925121 /nfs/dbraw/zinc/92/51/21/603925121.db2.gz PFYHGDLEGCOGER-IWSPIJDZSA-N -1 0 309.340 -0.677 20 0 DBADRM C[C@@]1(COC(=O)CN2CCN(C(=O)[O-])CC2=O)CCCO1 ZINC000825755558 603927245 /nfs/dbraw/zinc/92/72/45/603927245.db2.gz PFBMXFDDQNUDAX-ZDUSSCGKSA-N -1 0 300.311 -0.079 20 0 DBADRM NC(=O)c1ccc(CNC(=O)COC2CN(C(=O)[O-])C2)cn1 ZINC000831222653 603927906 /nfs/dbraw/zinc/92/79/06/603927906.db2.gz NZQUUQNWRVHGEA-UHFFFAOYSA-N -1 0 308.294 -0.825 20 0 DBADRM CC(C)(CNC(=O)[C@@]1(C)CCN(C(=O)[O-])C1)NS(C)(=O)=O ZINC000823900145 603935404 /nfs/dbraw/zinc/93/54/04/603935404.db2.gz CGAUAFGFGKRPNR-LBPRGKRZSA-N -1 0 321.399 -0.180 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000827267250 603936128 /nfs/dbraw/zinc/93/61/28/603936128.db2.gz ZTXHMBGSSMROBU-LLVKDONJSA-N -1 0 307.372 -0.568 20 0 DBADRM COC(=O)C[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)C1CC1 ZINC000828655669 603939518 /nfs/dbraw/zinc/93/95/18/603939518.db2.gz HQSFRBWPLRDQMA-SNVBAGLBSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H]1COCCN1C(=O)[O-])C1CC1 ZINC000828646098 603939671 /nfs/dbraw/zinc/93/96/71/603939671.db2.gz DZOBMPHKPIMIIK-VHSXEESVSA-N -1 0 300.311 -0.177 20 0 DBADRM CC1(C)CN(C(=O)[O-])CCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC000825725177 603946451 /nfs/dbraw/zinc/94/64/51/603946451.db2.gz USMUOJGOSJCILH-UHFFFAOYSA-N -1 0 324.337 -0.473 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000827248417 603946640 /nfs/dbraw/zinc/94/66/40/603946640.db2.gz ACTQKFBZLHVSOZ-MRVPVSSYSA-N -1 0 301.299 -0.092 20 0 DBADRM CNC(=O)N1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000828552517 603947949 /nfs/dbraw/zinc/94/79/49/603947949.db2.gz SBFWJBGDCCQSKW-LBPRGKRZSA-N -1 0 302.306 -0.438 20 0 DBADRM COC(=O)C[C@H](C)N1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000828646150 603952133 /nfs/dbraw/zinc/95/21/33/603952133.db2.gz FTSJRXOHMWCNGO-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000825002999 603958712 /nfs/dbraw/zinc/95/87/12/603958712.db2.gz XYYXVZACOKIOCB-GWOFURMSSA-N -1 0 302.327 -0.590 20 0 DBADRM Cc1cc(C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)n[nH]1 ZINC000829971723 603959247 /nfs/dbraw/zinc/95/92/47/603959247.db2.gz QIZHSILLMGMUTB-UHFFFAOYSA-N -1 0 320.313 -0.111 20 0 DBADRM Cn1cc(C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)cn1 ZINC000830988073 603959301 /nfs/dbraw/zinc/95/93/01/603959301.db2.gz CVURXNHGJRZMJI-UHFFFAOYSA-N -1 0 320.313 -0.410 20 0 DBADRM C[C@]1(C(=O)NCCOCCS(C)(=O)=O)CCN(C(=O)[O-])C1 ZINC000825662818 603960735 /nfs/dbraw/zinc/96/07/35/603960735.db2.gz IFIZYJDJIVOOBC-LBPRGKRZSA-N -1 0 322.383 -0.446 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)C1 ZINC000832239751 603962288 /nfs/dbraw/zinc/96/22/88/603962288.db2.gz PLRVBSFQMINWJA-QXFUBDJGSA-N -1 0 309.322 -0.171 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828684282 603968221 /nfs/dbraw/zinc/96/82/21/603968221.db2.gz SFZIFMUZUZCBLV-RKDXNWHRSA-N -1 0 316.310 -0.403 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)n1 ZINC000828551959 603969574 /nfs/dbraw/zinc/96/95/74/603969574.db2.gz JYVBZWBSFOBUTC-LBPRGKRZSA-N -1 0 310.314 -0.647 20 0 DBADRM NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)COCCNC(=O)[O-] ZINC000831172755 603969679 /nfs/dbraw/zinc/96/96/79/603969679.db2.gz JWXQGVWQHOQNSK-ZJUUUORDSA-N -1 0 301.343 -0.179 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)CC2 ZINC000829049193 603971568 /nfs/dbraw/zinc/97/15/68/603971568.db2.gz ABHMRWILVMHNAD-UWVGGRQHSA-N -1 0 323.353 -0.145 20 0 DBADRM CCN(CC(=O)N[C@H]1CCc2nc(COC)nn2C1)C(=O)[O-] ZINC000827002759 603971944 /nfs/dbraw/zinc/97/19/44/603971944.db2.gz RTYWTGUZDFZINO-VIFPVBQESA-N -1 0 311.342 -0.145 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)CC2 ZINC000829049194 603971949 /nfs/dbraw/zinc/97/19/49/603971949.db2.gz ABHMRWILVMHNAD-VHSXEESVSA-N -1 0 323.353 -0.145 20 0 DBADRM CCCC[C@@H](CNC(=O)[O-])NC(=O)CN1CC(=O)NC1=O ZINC000826780717 603977220 /nfs/dbraw/zinc/97/72/20/603977220.db2.gz JFEFDMGGVJNIFW-QMMMGPOBSA-N -1 0 300.315 -0.519 20 0 DBADRM C[C@H](CC(=O)OCC(=O)NCC(=O)N1CCCC1)NC(=O)[O-] ZINC000824728990 603979298 /nfs/dbraw/zinc/97/92/98/603979298.db2.gz OWXLYVPYDZLYQG-SECBINFHSA-N -1 0 315.326 -0.686 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)C1 ZINC000831246652 603980278 /nfs/dbraw/zinc/98/02/78/603980278.db2.gz SQCDGVRQBWFXKE-XHNCKOQMSA-N -1 0 305.356 -0.688 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000831574595 603980515 /nfs/dbraw/zinc/98/05/15/603980515.db2.gz XHQHMXQXQLGGOM-NSHDSACASA-N -1 0 311.338 -0.365 20 0 DBADRM COC(=O)N1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000828713522 603981285 /nfs/dbraw/zinc/98/12/85/603981285.db2.gz ITLLRQRJKJBIEA-UHFFFAOYSA-N -1 0 301.299 -0.724 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NCCc2nnc3n2CCC3)C1 ZINC000831902363 603981999 /nfs/dbraw/zinc/98/19/99/603981999.db2.gz NZONAHWPZYZGMQ-CYBMUJFWSA-N -1 0 311.317 -0.025 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCC2(O)CCCCC2)C(=O)C1 ZINC000831485044 603987468 /nfs/dbraw/zinc/98/74/68/603987468.db2.gz MTWALNMLKGWNME-UHFFFAOYSA-N -1 0 313.354 -0.380 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000824137139 603988476 /nfs/dbraw/zinc/98/84/76/603988476.db2.gz OMUNKMYMWMUVSY-VIFPVBQESA-N -1 0 322.383 -0.666 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000824137135 603988532 /nfs/dbraw/zinc/98/85/32/603988532.db2.gz OMUNKMYMWMUVSY-SECBINFHSA-N -1 0 322.383 -0.666 20 0 DBADRM C[C@H](OC(=O)CN(CC1CC1)C(=O)[O-])C(=O)N1CCNC1=O ZINC000825592672 603989461 /nfs/dbraw/zinc/98/94/61/603989461.db2.gz PKLQPUORFSBARA-QMMMGPOBSA-N -1 0 313.310 -0.140 20 0 DBADRM CCN(C(=O)[C@]1(F)CCN(C(=O)[O-])C1)[C@@H]1CC(=O)NC1=O ZINC000826969662 603990758 /nfs/dbraw/zinc/99/07/58/603990758.db2.gz IBBKXZNOUVHULX-KRTXAFLBSA-N -1 0 301.274 -0.658 20 0 DBADRM Cc1nnc2n1C[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)CC2 ZINC000830893277 603994412 /nfs/dbraw/zinc/99/44/12/603994412.db2.gz KQBCVLCORUKPLY-VIFPVBQESA-N -1 0 309.326 -0.604 20 0 DBADRM CN(CCCC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C(=O)[O-] ZINC000828279257 603997323 /nfs/dbraw/zinc/99/73/23/603997323.db2.gz VNDWZOOYMMPKNQ-UHFFFAOYSA-N -1 0 323.353 -0.015 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828683887 603997569 /nfs/dbraw/zinc/99/75/69/603997569.db2.gz NYOBRSHIQISLQI-GFCCVEGCSA-N -1 0 320.273 -0.747 20 0 DBADRM C[C@H]([C@H](C)NC(=O)COC1CN(C(=O)[O-])C1)N1CCOCC1 ZINC000825125771 604000959 /nfs/dbraw/zinc/00/09/59/604000959.db2.gz BPIWCPJEFODERX-WDEREUQCSA-N -1 0 315.370 -0.409 20 0 DBADRM CC(C)(CNC(=O)NCCS(=O)(=O)NC1CC1)NC(=O)[O-] ZINC000823936774 604001863 /nfs/dbraw/zinc/00/18/63/604001863.db2.gz RBJXFBQSYNHDDU-UHFFFAOYSA-N -1 0 322.387 -0.586 20 0 DBADRM NS(=O)(=O)CCNC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000831246330 604003232 /nfs/dbraw/zinc/00/32/32/604003232.db2.gz PQJKBOFJMIYHFW-HTQZYQBOSA-N -1 0 308.360 -0.990 20 0 DBADRM COC[C@@](C)(O)CNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000828896684 604003551 /nfs/dbraw/zinc/00/35/51/604003551.db2.gz LIVBXRNMKPLWES-GWCFXTLKSA-N -1 0 304.343 -0.341 20 0 DBADRM CCN(CCNC(=O)NCc1ccc(C(N)=O)nc1)C(=O)[O-] ZINC000827146549 604003888 /nfs/dbraw/zinc/00/38/88/604003888.db2.gz QXTBUBGUKHKXAF-UHFFFAOYSA-N -1 0 309.326 -0.020 20 0 DBADRM COCCN(CC(=O)OC)C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828979429 604009476 /nfs/dbraw/zinc/00/94/76/604009476.db2.gz HOPFFXUNILRVGM-LBPRGKRZSA-N -1 0 306.290 -0.274 20 0 DBADRM Nc1nsc(N2CCN(C(=O)CCCNC(=O)[O-])CC2)n1 ZINC000831265162 604012385 /nfs/dbraw/zinc/01/23/85/604012385.db2.gz BBFBRZUHTGEGOT-UHFFFAOYSA-N -1 0 314.371 -0.183 20 0 DBADRM C[C@@H]1CN(Cn2nnc3c(cnn3C)c2=O)CC[C@H]1NC(=O)[O-] ZINC000826068590 604016103 /nfs/dbraw/zinc/01/61/03/604016103.db2.gz PZRCKXFNCXKAMB-PSASIEDQSA-N -1 0 321.341 -0.540 20 0 DBADRM C[C@@H]1CN(Cn2nnc3c(cnn3C)c2=O)CC[C@@H]1NC(=O)[O-] ZINC000826068591 604016167 /nfs/dbraw/zinc/01/61/67/604016167.db2.gz PZRCKXFNCXKAMB-SCZZXKLOSA-N -1 0 321.341 -0.540 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)OCC[C@@H]1CCOC1=O ZINC000831489349 604023751 /nfs/dbraw/zinc/02/37/51/604023751.db2.gz RZKMFPZSHTZITN-SECBINFHSA-N -1 0 314.294 -0.695 20 0 DBADRM O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)Cn1ccc(=O)[nH]c1=O)CC2 ZINC000831567287 604024979 /nfs/dbraw/zinc/02/49/79/604024979.db2.gz JBGIEHVQNFQDQH-ZJUUUORDSA-N -1 0 322.321 -0.308 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828683285 604037933 /nfs/dbraw/zinc/03/79/33/604037933.db2.gz HNDAMTBVQSMWIH-HTQZYQBOSA-N -1 0 302.283 -0.745 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000830948940 604040071 /nfs/dbraw/zinc/04/00/71/604040071.db2.gz QYCLVCCYMBDWOF-ZETCQYMHSA-N -1 0 317.323 -0.282 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000825270999 604041075 /nfs/dbraw/zinc/04/10/75/604041075.db2.gz CYJWFVPQHVXEQE-QWRGUYRKSA-N -1 0 321.399 -0.069 20 0 DBADRM CS(=O)(=O)Cc1noc(CN2CCCN(C(=O)[O-])CC2)n1 ZINC000829679089 604048211 /nfs/dbraw/zinc/04/82/11/604048211.db2.gz FRDBVAZTPWRGQQ-UHFFFAOYSA-N -1 0 318.355 -0.200 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827481902 604054191 /nfs/dbraw/zinc/05/41/91/604054191.db2.gz YXCPNVMZAOYLCR-IUCAKERBSA-N -1 0 308.356 -0.095 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2COCCN2C(=O)[O-])C1=O ZINC000824350574 604058800 /nfs/dbraw/zinc/05/88/00/604058800.db2.gz FVNMIRHZGCSZMK-IUCAKERBSA-N -1 0 313.310 -0.983 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2CSCN2C(=O)[O-])C1=O ZINC000824350098 604058953 /nfs/dbraw/zinc/05/89/53/604058953.db2.gz AANNFKGOQKMISO-YUMQZZPRSA-N -1 0 315.351 -0.309 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@@]2(C)CCN(C(=O)[O-])C2)CC1 ZINC000828542318 604061657 /nfs/dbraw/zinc/06/16/57/604061657.db2.gz JGOVBDFWZWEJKM-AWEZNQCLSA-N -1 0 312.370 -0.733 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CCCSC1 ZINC000831485399 604063529 /nfs/dbraw/zinc/06/35/29/604063529.db2.gz QRPMPSDGNQUDSD-SECBINFHSA-N -1 0 301.368 -0.180 20 0 DBADRM CC(C)(CNC(=O)COC1CN(C(=O)[O-])C1)S(C)(=O)=O ZINC000823912041 604065103 /nfs/dbraw/zinc/06/51/03/604065103.db2.gz HRXZOPGJBXSETJ-UHFFFAOYSA-N -1 0 308.356 -0.695 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)CC2(NC(=O)[O-])CCC2)CC1 ZINC000829683663 604073128 /nfs/dbraw/zinc/07/31/28/604073128.db2.gz XKZNUMCPKMAMIM-UHFFFAOYSA-N -1 0 319.383 -0.329 20 0 DBADRM Cc1nonc1CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000830929492 604078361 /nfs/dbraw/zinc/07/83/61/604078361.db2.gz FYHKFGFTNDLULF-UHFFFAOYSA-N -1 0 312.330 -0.527 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000824833470 604078841 /nfs/dbraw/zinc/07/88/41/604078841.db2.gz OICCHHWQTDSLGX-QMMMGPOBSA-N -1 0 312.326 -0.567 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000824849353 604080262 /nfs/dbraw/zinc/08/02/62/604080262.db2.gz RRRDFONQSKGOFN-SECBINFHSA-N -1 0 321.399 -0.228 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)CC1(NC(=O)[O-])CCC1 ZINC000829688731 604083351 /nfs/dbraw/zinc/08/33/51/604083351.db2.gz VIRLVPNNWYRDNS-UHFFFAOYSA-N -1 0 307.372 -0.378 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)[C@@H]2CCN(C(=O)[O-])C2)n1 ZINC000828546320 604083874 /nfs/dbraw/zinc/08/38/74/604083874.db2.gz CKAFCPMRCKPZJB-SSDOTTSWSA-N -1 0 312.282 -0.599 20 0 DBADRM CC1(C)NC(=O)N(CCOC(=O)CC2CN(C(=O)[O-])C2)C1=O ZINC000825740064 604089427 /nfs/dbraw/zinc/08/94/27/604089427.db2.gz RSEPEOWMOWLNCX-UHFFFAOYSA-N -1 0 313.310 -0.140 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCC1(C(N)=O)CCOCC1 ZINC000824855109 604091238 /nfs/dbraw/zinc/09/12/38/604091238.db2.gz NRMZVLNJMLFVKU-SECBINFHSA-N -1 0 301.343 -0.369 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000824833318 604092596 /nfs/dbraw/zinc/09/25/96/604092596.db2.gz NBMSWPZYNFFEKJ-UWVGGRQHSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@H]1CN(C(=O)COC(=O)CC2CN(C(=O)[O-])C2)CCO1 ZINC000825988613 604095098 /nfs/dbraw/zinc/09/50/98/604095098.db2.gz MGXKYZKBWWVYTK-VIFPVBQESA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@H](OC(=O)CC1CN(C(=O)[O-])C1)C(=O)NC(=O)NC1CC1 ZINC000825580892 604095403 /nfs/dbraw/zinc/09/54/03/604095403.db2.gz YFJWOQAAWWJAFX-ZETCQYMHSA-N -1 0 313.310 -0.094 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)NC(=O)[O-] ZINC000824787420 604109638 /nfs/dbraw/zinc/10/96/38/604109638.db2.gz XIYWFLDTDNWZFI-DTWKUNHWSA-N -1 0 309.326 -0.075 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000832582158 604111492 /nfs/dbraw/zinc/11/14/92/604111492.db2.gz BXUPBUWJRDGNNQ-UWVGGRQHSA-N -1 0 321.337 -0.121 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)NC(=O)[O-] ZINC000823900644 604113686 /nfs/dbraw/zinc/11/36/86/604113686.db2.gz RHDKYTGUBIGMHX-QMMMGPOBSA-N -1 0 309.326 -0.075 20 0 DBADRM C[C@@]1(C(=O)OCCCN2C(=O)CNC2=O)CCN(C(=O)[O-])C1 ZINC000825690756 604115371 /nfs/dbraw/zinc/11/53/71/604115371.db2.gz MVARHMJPNGAQEA-CYBMUJFWSA-N -1 0 313.310 -0.139 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000828551864 604116225 /nfs/dbraw/zinc/11/62/25/604116225.db2.gz JSXOHVLINVHELH-MADCSZMMSA-N -1 0 301.299 -0.236 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000828683658 604116325 /nfs/dbraw/zinc/11/63/25/604116325.db2.gz KOPQNLSFTWKFPJ-OQPBUACISA-N -1 0 316.310 -0.403 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000827476043 604131411 /nfs/dbraw/zinc/13/14/11/604131411.db2.gz SBIFXMZCIDQIIH-VIFPVBQESA-N -1 0 309.388 -0.322 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)CC3(NC(=O)[O-])CCC3)C2)C1=O ZINC000828445941 604137244 /nfs/dbraw/zinc/13/72/44/604137244.db2.gz QREJMIJBANPTMI-AWEZNQCLSA-N -1 0 324.337 -0.281 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CCC[C@H](NC(=O)[O-])C2)c1=O ZINC000831023062 604145192 /nfs/dbraw/zinc/14/51/92/604145192.db2.gz WVJGTYAUBUMWCW-VIFPVBQESA-N -1 0 322.321 -0.418 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CCC(NC(=O)[O-])CC2)c1=O ZINC000831023161 604145204 /nfs/dbraw/zinc/14/52/04/604145204.db2.gz XGHIDICNAXELFF-UHFFFAOYSA-N -1 0 322.321 -0.418 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)c1=O ZINC000831022835 604146653 /nfs/dbraw/zinc/14/66/53/604146653.db2.gz QEJRIJZNJCRDJY-QMMMGPOBSA-N -1 0 308.294 -0.808 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000824834327 604148095 /nfs/dbraw/zinc/14/80/95/604148095.db2.gz VFQAQEIITJIECC-VIFPVBQESA-N -1 0 321.399 -0.241 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCCN(CC(N)=O)CC1 ZINC000824833961 604149719 /nfs/dbraw/zinc/14/97/19/604149719.db2.gz SHWAARRLTYSBOV-JTQLQIEISA-N -1 0 300.359 -0.748 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000824856084 604159777 /nfs/dbraw/zinc/15/97/77/604159777.db2.gz ZHOFYWWMFDGQFA-MRVPVSSYSA-N -1 0 300.315 -0.710 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)[C@H](C)CN(C)C(=O)[O-])CC1 ZINC000828573246 604164058 /nfs/dbraw/zinc/16/40/58/604164058.db2.gz OMWOMXAUSMALBS-SECBINFHSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC000825212413 604171970 /nfs/dbraw/zinc/17/19/70/604171970.db2.gz VJMAWRKMGTZEGS-ZJUUUORDSA-N -1 0 321.399 -0.228 20 0 DBADRM O=C([O-])N1CC[C@H](CCNC(=O)N2CCO[C@@H](CO)C2)C1 ZINC000831874755 604172101 /nfs/dbraw/zinc/17/21/01/604172101.db2.gz OEFNTNMTXCKNKU-WDEREUQCSA-N -1 0 301.343 -0.221 20 0 DBADRM Cc1ncc(NC(=O)C(=O)NC2CCN(C(=O)[O-])CC2)cn1 ZINC000830813784 604173665 /nfs/dbraw/zinc/17/36/65/604173665.db2.gz VDSPQSUVVUMOQK-UHFFFAOYSA-N -1 0 307.310 -0.018 20 0 DBADRM O=C([O-])NC1CCC(NC(=O)N2CCO[C@@H](CO)C2)CC1 ZINC000832313573 604175199 /nfs/dbraw/zinc/17/51/99/604175199.db2.gz SYAWZRYIISKNPN-VQXHTEKXSA-N -1 0 301.343 -0.032 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@@H](CO)C1 ZINC000832465963 604176501 /nfs/dbraw/zinc/17/65/01/604176501.db2.gz IPUSEJTTYHMFPL-AXFHLTTASA-N -1 0 301.343 -0.175 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)CN(C)C(=O)[O-])CCO1 ZINC000823579436 604178817 /nfs/dbraw/zinc/17/88/17/604178817.db2.gz IBRVQQVKVBFCNJ-MWLCHTKSSA-N -1 0 301.343 -0.404 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)[C@H](C)CN(C)C(=O)[O-])CCO1 ZINC000823579434 604179047 /nfs/dbraw/zinc/17/90/47/604179047.db2.gz IBRVQQVKVBFCNJ-KOLCDFICSA-N -1 0 301.343 -0.404 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000824840621 604179902 /nfs/dbraw/zinc/17/99/02/604179902.db2.gz LPIZFTFYROKOIF-QWRGUYRKSA-N -1 0 311.342 -0.249 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000824840618 604180002 /nfs/dbraw/zinc/18/00/02/604180002.db2.gz LPIZFTFYROKOIF-GHMZBOCLSA-N -1 0 311.342 -0.249 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825508627 604180272 /nfs/dbraw/zinc/18/02/72/604180272.db2.gz IRTUITHRUTUYAR-LPEHRKFASA-N -1 0 321.399 -0.181 20 0 DBADRM O=C([O-])NC1(CC(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)CCC1 ZINC000832194382 604182866 /nfs/dbraw/zinc/18/28/66/604182866.db2.gz SJKWASGPEKZRMT-ZDUSSCGKSA-N -1 0 310.310 -0.623 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)CC2(NC(=O)[O-])CCC2)C1 ZINC000831241035 604184580 /nfs/dbraw/zinc/18/45/80/604184580.db2.gz ROMRYYYCWGOXGH-VIFPVBQESA-N -1 0 319.383 -0.154 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000824853688 604188002 /nfs/dbraw/zinc/18/80/02/604188002.db2.gz BNIYFDMYSHQPCM-VIFPVBQESA-N -1 0 322.383 -0.712 20 0 DBADRM C[C@@]1(C(=O)O[C@@H]2CC(=O)N(CC(N)=O)C2)CCN(C(=O)[O-])C1 ZINC000825684450 604188197 /nfs/dbraw/zinc/18/81/97/604188197.db2.gz GYVRTHKCOURVJO-AMIZOPFISA-N -1 0 313.310 -0.994 20 0 DBADRM C[C@H](COC(=O)C1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000824987055 604195370 /nfs/dbraw/zinc/19/53/70/604195370.db2.gz KWTLFGJXDAVNTG-MRVPVSSYSA-N -1 0 308.356 -0.143 20 0 DBADRM Cn1cc(/C=C\C(=O)OC2(C)CN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000830999501 604218044 /nfs/dbraw/zinc/21/80/44/604218044.db2.gz JDVJZGHZFXBSGU-PLNGDYQASA-N -1 0 323.305 -0.607 20 0 DBADRM O=C([O-])N(CC(=O)N1CCCS1(=O)=O)C[C@@H]1CCCO1 ZINC000831819915 604220125 /nfs/dbraw/zinc/22/01/25/604220125.db2.gz BCOJHKVCRUHSGY-VIFPVBQESA-N -1 0 306.340 -0.293 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000825211532 604225411 /nfs/dbraw/zinc/22/54/11/604225411.db2.gz QTDFPVCQUZUBGP-RKDXNWHRSA-N -1 0 312.326 -0.567 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)O[C@@H]1CCN(C2CCOCC2)C1=O ZINC000825185785 604225818 /nfs/dbraw/zinc/22/58/18/604225818.db2.gz IOQFZRYPXBROCP-WCBMZHEXSA-N -1 0 300.311 -0.034 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCC[C@@H](C)NC(=O)[O-] ZINC000828670088 604227792 /nfs/dbraw/zinc/22/77/92/604227792.db2.gz BLGJKKXQFAWLGA-MRVPVSSYSA-N -1 0 311.360 -0.638 20 0 DBADRM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000832762703 604228899 /nfs/dbraw/zinc/22/88/99/604228899.db2.gz JSYORARZJOCFEF-XDQVBPFNSA-N -1 0 310.350 -0.736 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000828671626 604229890 /nfs/dbraw/zinc/22/98/90/604229890.db2.gz WONPXZBHTYYGRB-MRVPVSSYSA-N -1 0 309.344 -0.932 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCCN(C(=O)[O-])C1CC1 ZINC000828670888 604230054 /nfs/dbraw/zinc/23/00/54/604230054.db2.gz MOQNDLJLANBYOK-UHFFFAOYSA-N -1 0 323.371 -0.542 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000828671339 604230319 /nfs/dbraw/zinc/23/03/19/604230319.db2.gz SSUUHYGRPPHJFW-VIFPVBQESA-N -1 0 323.371 -0.542 20 0 DBADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000829603154 604230729 /nfs/dbraw/zinc/23/07/29/604230729.db2.gz FPUAIDPZVYLLIF-GBIKHYSHSA-N -1 0 324.333 -0.042 20 0 DBADRM O=C([O-])N(CC(=O)N1C[C@H](O)C[C@H](O)C1)C[C@H]1CCCO1 ZINC000831826276 604231417 /nfs/dbraw/zinc/23/14/17/604231417.db2.gz NZKFVDXLJSRFRE-OUAUKWLOSA-N -1 0 302.327 -0.901 20 0 DBADRM C[C@@H](NC(=O)COC(=O)[C@@H](C)CN(C)C(=O)[O-])C(=O)N(C)C ZINC000824890527 604240613 /nfs/dbraw/zinc/24/06/13/604240613.db2.gz WBPORTMMGZHCMH-DTWKUNHWSA-N -1 0 317.342 -0.632 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)NC1CCN(C(=O)[O-])CC1 ZINC000828607649 604243782 /nfs/dbraw/zinc/24/37/82/604243782.db2.gz LSBAAUHLTPSZCX-QMMMGPOBSA-N -1 0 308.356 -0.143 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)OCC(=O)NC(=O)NC1CC1 ZINC000824890931 604247250 /nfs/dbraw/zinc/24/72/50/604247250.db2.gz YAWQOTZFKBBEAF-SSDOTTSWSA-N -1 0 301.299 -0.236 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2COCCN2C(=O)[O-])C[C@@H]1C ZINC000828639355 604247827 /nfs/dbraw/zinc/24/78/27/604247827.db2.gz GHZXZSAYXOAVEB-IVZWLZJFSA-N -1 0 300.311 -0.367 20 0 DBADRM O=C([O-])Nc1ccc(CCNC(=O)CN2CC(=O)NC2=O)cc1 ZINC000740016151 604248861 /nfs/dbraw/zinc/24/88/61/604248861.db2.gz DLNUKQHCCQTAHY-UHFFFAOYSA-N -1 0 320.305 -0.013 20 0 DBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)CNC(=O)[O-])CC1 ZINC000823668247 604257249 /nfs/dbraw/zinc/25/72/49/604257249.db2.gz COKBGWCAXSYVOD-LLVKDONJSA-N -1 0 312.370 -0.591 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828527306 604271844 /nfs/dbraw/zinc/27/18/44/604271844.db2.gz YYOKZQROKKTEKM-UWVGGRQHSA-N -1 0 301.343 -0.404 20 0 DBADRM COC[C@@](C)(CC(=O)OC)NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828886371 604275288 /nfs/dbraw/zinc/27/52/88/604275288.db2.gz UYEHTYVQNMZDHC-NOZJJQNGSA-N -1 0 318.326 -0.550 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)NC[C@H](O)C(F)(F)F)C1 ZINC000831380013 604275816 /nfs/dbraw/zinc/27/58/16/604275816.db2.gz BHQANMUSNGZMSU-RQJHMYQMSA-N -1 0 300.233 -0.205 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)NC[C@@H](O)C(F)(F)F)C1 ZINC000831380012 604275915 /nfs/dbraw/zinc/27/59/15/604275915.db2.gz BHQANMUSNGZMSU-RNFRBKRXSA-N -1 0 300.233 -0.205 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NC[C@@H](O)C1CCOCC1 ZINC000831621435 604276681 /nfs/dbraw/zinc/27/66/81/604276681.db2.gz NXCSSWRYAOFHMR-NXEZZACHSA-N -1 0 304.368 -0.057 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)nn1 ZINC000825528382 604278582 /nfs/dbraw/zinc/27/85/82/604278582.db2.gz MATJIPWKYHIMGN-KXUCPTDWSA-N -1 0 311.342 -0.164 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)nn1 ZINC000825528731 604278719 /nfs/dbraw/zinc/27/87/19/604278719.db2.gz SAICNAATIQQGHY-GUBZILKMSA-N -1 0 311.342 -0.069 20 0 DBADRM C[C@H](O)c1cn(CC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)nn1 ZINC000825528931 604278754 /nfs/dbraw/zinc/27/87/54/604278754.db2.gz VVYMWFBHQVHXSW-VHSXEESVSA-N -1 0 311.342 -0.162 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)nn1 ZINC000825528872 604278820 /nfs/dbraw/zinc/27/88/20/604278820.db2.gz UVHCDYQIYQIXCX-SDBXPKJASA-N -1 0 311.342 -0.116 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCC[C@H]2CN(C)C(=O)[O-])nn1 ZINC000825528966 604279835 /nfs/dbraw/zinc/27/98/35/604279835.db2.gz WOYQPDZMSTZWAY-UWVGGRQHSA-N -1 0 311.342 -0.068 20 0 DBADRM Cn1cc([C@H]2CN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CCO2)cn1 ZINC000830999735 604280328 /nfs/dbraw/zinc/28/03/28/604280328.db2.gz MUGQNVVIQZPRQD-NEPJUHHUSA-N -1 0 324.337 -0.301 20 0 DBADRM COC[C@](C)(NC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)OC ZINC000828885396 604286381 /nfs/dbraw/zinc/28/63/81/604286381.db2.gz DLFNTNPYSGXSLX-PELKAZGASA-N -1 0 304.299 -0.941 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828617916 604300036 /nfs/dbraw/zinc/30/00/36/604300036.db2.gz JIMMSMIURGTJAU-TVQRCGJNSA-N -1 0 300.311 -0.223 20 0 DBADRM O=C([O-])CSCCNC(=O)NC[C@H]1CCCS1(=O)=O ZINC000389442251 604300259 /nfs/dbraw/zinc/30/02/59/604300259.db2.gz JPDNAFKNTJXHQX-MRVPVSSYSA-N -1 0 310.397 -0.319 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)C[C@@H]2COC(=O)C2)CCO1 ZINC000825302809 604302068 /nfs/dbraw/zinc/30/20/68/604302068.db2.gz SQBGPJBWPVHENQ-LPEHRKFASA-N -1 0 300.311 -0.177 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2CCCS2(=O)=O)CCN1C(=O)[O-] ZINC000825994568 604303008 /nfs/dbraw/zinc/30/30/08/604303008.db2.gz BKSIVZGNUAENOV-VHSXEESVSA-N -1 0 319.383 -0.043 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000830993004 604304943 /nfs/dbraw/zinc/30/49/43/604304943.db2.gz DJNLJGAGHCUHMY-WDEREUQCSA-N -1 0 312.326 -0.661 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)NC[C@]2(CCO)CCOC2)C1 ZINC000831380591 604305993 /nfs/dbraw/zinc/30/59/93/604305993.db2.gz FTNDRNSQFACZEP-RISCZKNCSA-N -1 0 316.354 -0.339 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000829834319 604332569 /nfs/dbraw/zinc/33/25/69/604332569.db2.gz SCPXGXAOQQLDSA-SECBINFHSA-N -1 0 317.371 -0.710 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@@H](CO)c2ccccc2)nn1 ZINC000833121395 604334912 /nfs/dbraw/zinc/33/49/12/604334912.db2.gz GHTQOBUYNITPKR-NSHDSACASA-N -1 0 304.306 -0.131 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NC[C@H]2CCCS2(=O)=O)n1 ZINC000833275303 604340437 /nfs/dbraw/zinc/34/04/37/604340437.db2.gz CWXZLCOFZUMZNA-MRVPVSSYSA-N -1 0 316.339 -0.334 20 0 DBADRM COCc1nn(CN2CCC(CNC(=O)[O-])CC2)c(=O)o1 ZINC000829056447 604349206 /nfs/dbraw/zinc/34/92/06/604349206.db2.gz XFIXUSPKAVXWPF-UHFFFAOYSA-N -1 0 300.315 -0.080 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)O1 ZINC000831173312 604352840 /nfs/dbraw/zinc/35/28/40/604352840.db2.gz LQGIKPOLJZPOMR-UTLUCORTSA-N -1 0 314.342 -0.539 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@@H](CO)OC[C@H]1C)C(=O)[O-] ZINC000826785733 604353285 /nfs/dbraw/zinc/35/32/85/604353285.db2.gz CJXSPWINMMVPME-WOPDTQHZSA-N -1 0 302.371 -0.317 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)N2CCC(NC(=O)[O-])CC2)O1 ZINC000831171921 604356116 /nfs/dbraw/zinc/35/61/16/604356116.db2.gz GSGJQNKHAJPGED-VHSXEESVSA-N -1 0 314.342 -0.539 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)N2CCCN(C(=O)[O-])CC2)O1 ZINC000831173398 604356193 /nfs/dbraw/zinc/35/61/93/604356193.db2.gz MJRUKWQWYRGXPY-NXEZZACHSA-N -1 0 314.342 -0.585 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000833039656 604358277 /nfs/dbraw/zinc/35/82/77/604358277.db2.gz PVEHEEUWHNPMOG-SSDOTTSWSA-N -1 0 323.758 -0.062 20 0 DBADRM C[C@H](C[C@@H]1CCOC1)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824779535 604374547 /nfs/dbraw/zinc/37/45/47/604374547.db2.gz ZICVIPMYZQPZBL-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000823661189 604375616 /nfs/dbraw/zinc/37/56/16/604375616.db2.gz HAAZNZQKNANQHE-GARJFASQSA-N -1 0 312.370 -0.559 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000738542354 604376662 /nfs/dbraw/zinc/37/66/62/604376662.db2.gz PLWYRNBKPPJDCR-NWDGAFQWSA-N -1 0 312.370 -0.545 20 0 DBADRM O=C([O-])N[C@@H]1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000740594182 604377141 /nfs/dbraw/zinc/37/71/41/604377141.db2.gz OEDCXSZEUDKLMK-GFCCVEGCSA-N -1 0 324.381 -0.591 20 0 DBADRM CS(=O)(=O)CCCCOC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000829669678 604379921 /nfs/dbraw/zinc/37/99/21/604379921.db2.gz PPTVOEQAEMTOIW-RKDXNWHRSA-N -1 0 309.340 -0.532 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N1CCNC1=O ZINC000825598423 604384997 /nfs/dbraw/zinc/38/49/97/604384997.db2.gz KYZYXTSVVUSBHB-YUMQZZPRSA-N -1 0 301.299 -0.238 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@H]2CSCN2C(=O)[O-])O1 ZINC000831172994 604394315 /nfs/dbraw/zinc/39/43/15/604394315.db2.gz KQLGQIGKXBFUHZ-RNJXMRFFSA-N -1 0 303.340 -0.812 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000167100990 604395093 /nfs/dbraw/zinc/39/50/93/604395093.db2.gz GEEPNPZIUUPLCG-JGVFFNPUSA-N -1 0 305.308 -0.252 20 0 DBADRM CN1CCN(C(=O)[C@H]2CSC(=O)N2)[C@H](CNC(=O)[O-])C1 ZINC000828496491 604396282 /nfs/dbraw/zinc/39/62/82/604396282.db2.gz XKMHJOZZVIGGNE-HTQZYQBOSA-N -1 0 302.356 -0.778 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000827016975 604400267 /nfs/dbraw/zinc/40/02/67/604400267.db2.gz USSICKDBLLLXDT-GHMZBOCLSA-N -1 0 317.386 -0.611 20 0 DBADRM COc1ncc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])cn1 ZINC000829660560 604402247 /nfs/dbraw/zinc/40/22/47/604402247.db2.gz NLLGXIFDNSGPDW-SNVBAGLBSA-N -1 0 309.326 -0.491 20 0 DBADRM CN1CCN(C(=O)c2c[nH]c(C(N)=O)c2)[C@H](CNC(=O)[O-])C1 ZINC000828507822 604403072 /nfs/dbraw/zinc/40/30/72/604403072.db2.gz UAUXQFLSOAZCCK-SECBINFHSA-N -1 0 309.326 -0.863 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1cc(=O)n(C)c(=O)n1C ZINC000827022272 604403714 /nfs/dbraw/zinc/40/37/14/604403714.db2.gz UKGYRNJMMZEZQW-LLVKDONJSA-N -1 0 313.354 -0.606 20 0 DBADRM Cn1cc(/C=C/C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])cn1 ZINC000828495722 604404467 /nfs/dbraw/zinc/40/44/67/604404467.db2.gz RUYLILWOPOTDIW-AAOUONPWSA-N -1 0 307.354 -0.157 20 0 DBADRM CN1CCN(C(=O)c2cccc(C(N)=O)c2)[C@@H](CNC(=O)[O-])C1 ZINC000828512953 604406004 /nfs/dbraw/zinc/40/60/04/604406004.db2.gz CSRGHKFJGGOEDQ-LBPRGKRZSA-N -1 0 320.349 -0.191 20 0 DBADRM O=C([O-])N1CCc2ccc(NC(=O)C(=O)NCCO)cc2C1 ZINC000831694273 604406528 /nfs/dbraw/zinc/40/65/28/604406528.db2.gz TZJJRCGMHDUMGI-UHFFFAOYSA-N -1 0 307.306 -0.230 20 0 DBADRM CON(C)C(=O)[C@H](CCSC)NC(=O)CN(C)C(=O)[O-] ZINC000829056435 604407307 /nfs/dbraw/zinc/40/73/07/604407307.db2.gz XARRGXDPUZJIQJ-QMMMGPOBSA-N -1 0 307.372 -0.146 20 0 DBADRM CN(C)C(=O)CCCC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000828493820 604407502 /nfs/dbraw/zinc/40/75/02/604407502.db2.gz DDAQVVOFYSFAQF-LLVKDONJSA-N -1 0 314.386 -0.345 20 0 DBADRM CON(C)C(=O)[C@H](CCSC)NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000831836546 604407931 /nfs/dbraw/zinc/40/79/31/604407931.db2.gz JUTKLMCKFXUWBR-YIZRAAEISA-N -1 0 304.368 -0.035 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])n1 ZINC000830018269 604408246 /nfs/dbraw/zinc/40/82/46/604408246.db2.gz WAPNFBIROCLXTC-GFCCVEGCSA-N -1 0 309.370 -0.090 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(=O)n(C)c1 ZINC000818835397 604409428 /nfs/dbraw/zinc/40/94/28/604409428.db2.gz KGSPYUXVUFGOJC-SECBINFHSA-N -1 0 307.306 -0.435 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2ccc(C(=O)[O-])o2)CCOCC1 ZINC000833083221 604411822 /nfs/dbraw/zinc/41/18/22/604411822.db2.gz ZEIVBCGVWCXZHC-UHFFFAOYSA-N -1 0 318.307 -0.709 20 0 DBADRM CCn1nc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])ccc1=O ZINC000827711110 604411895 /nfs/dbraw/zinc/41/18/95/604411895.db2.gz KCEDVMNSGMWNEN-SNVBAGLBSA-N -1 0 323.353 -0.713 20 0 DBADRM COC(=O)N1CC(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000831198263 604414013 /nfs/dbraw/zinc/41/40/13/604414013.db2.gz DDWAXBNMQBRHGJ-UHFFFAOYSA-N -1 0 303.296 -0.558 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)[C@H]1CN(C)CCO1 ZINC000827754199 604418750 /nfs/dbraw/zinc/41/87/50/604418750.db2.gz HOWVQMSCCGLZCD-WCBMZHEXSA-N -1 0 318.351 -0.025 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)NC2CN(C(=O)[O-])C2)cn1 ZINC000829696137 604421134 /nfs/dbraw/zinc/42/11/34/604421134.db2.gz QBXSSRAPPRPHFX-UHFFFAOYSA-N -1 0 314.323 -0.031 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@@H]2[C@H](C1)OCCN2C)C(=O)[O-] ZINC000826788608 604423598 /nfs/dbraw/zinc/42/35/98/604423598.db2.gz ZDIIHZCHYVGHAB-XQQFMLRXSA-N -1 0 313.398 -0.383 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000827242202 604428258 /nfs/dbraw/zinc/42/82/58/604428258.db2.gz LUCYIOFUGKXREV-UHFFFAOYSA-N -1 0 312.370 -0.543 20 0 DBADRM CC(=O)N1CCC(NC(=O)CN2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000738521121 604431160 /nfs/dbraw/zinc/43/11/60/604431160.db2.gz JCADCBMPPYGTTM-GFCCVEGCSA-N -1 0 312.370 -0.545 20 0 DBADRM O=C([O-])NC1(C(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000832168720 604450371 /nfs/dbraw/zinc/45/03/71/604450371.db2.gz XKIOBOVMFKWNLL-UHFFFAOYSA-N -1 0 305.356 -0.672 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(c2nc3c(cnn3C)c(=O)[nH]2)CCO1 ZINC000825370573 604450520 /nfs/dbraw/zinc/45/05/20/604450520.db2.gz BEVPRAUPCZSMEL-IONNQARKSA-N -1 0 322.325 -0.070 20 0 DBADRM O=C([O-])NC1(C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000832185668 604458038 /nfs/dbraw/zinc/45/80/38/604458038.db2.gz HTKOZJZPZPDLIZ-UHFFFAOYSA-N -1 0 323.353 -0.046 20 0 DBADRM C[C@H]1COCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000399141572 604461936 /nfs/dbraw/zinc/46/19/36/604461936.db2.gz URMCUBZNQLYXRV-SECBINFHSA-N -1 0 303.340 -0.375 20 0 DBADRM CN(CC(=O)N1CC[C@@H](NC(=O)[O-])C1)c1ncnc2nc[nH]c21 ZINC000739616496 604464888 /nfs/dbraw/zinc/46/48/88/604464888.db2.gz FGYREYDYMSXWIZ-MRVPVSSYSA-N -1 0 319.325 -0.342 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CC[C@@H](NC(=O)[O-])C1)C(C)C ZINC000739805665 604464999 /nfs/dbraw/zinc/46/49/99/604464999.db2.gz PSINJRJMVKLTMI-KOLCDFICSA-N -1 0 301.343 -0.358 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)C3(NC(=O)[O-])CC3)C2=O)n(C)n1 ZINC000830073859 604476151 /nfs/dbraw/zinc/47/61/51/604476151.db2.gz XOTHLNMODOTKHX-SECBINFHSA-N -1 0 321.337 -0.250 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000740033517 604476470 /nfs/dbraw/zinc/47/64/70/604476470.db2.gz RNWWLZCMFYFFCO-SECBINFHSA-N -1 0 319.321 -0.258 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCOC[C@H]1CCO)C(=O)[O-] ZINC000833477591 604478619 /nfs/dbraw/zinc/47/86/19/604478619.db2.gz KTBYJPOIRUGVDP-NEPJUHHUSA-N -1 0 302.371 -0.315 20 0 DBADRM O=C([O-])NC1(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000832155735 604481329 /nfs/dbraw/zinc/48/13/29/604481329.db2.gz NWAUNGNSTTXMRX-SNVBAGLBSA-N -1 0 311.338 -0.317 20 0 DBADRM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)C2(NC(=O)[O-])CC2)C1=O ZINC000828444862 604481368 /nfs/dbraw/zinc/48/13/68/604481368.db2.gz IQWWGKNKDULVFI-RMLUDKJBSA-N -1 0 324.337 -0.377 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000740343346 604486333 /nfs/dbraw/zinc/48/63/33/604486333.db2.gz YGUYTIUMBKMADK-SSDOTTSWSA-N -1 0 305.298 -0.723 20 0 DBADRM O=C(CN[C@@]1(C(=O)[O-])CCOC1)NCc1ccc2c(c1)OCO2 ZINC000833765059 604489580 /nfs/dbraw/zinc/48/95/80/604489580.db2.gz VKYNBVRGUZXAOS-HNNXBMFYSA-N -1 0 322.317 -0.135 20 0 DBADRM O=C(CN[C@@]1(C(=O)[O-])CCOC1)NC[C@H]1Cc2ccccc2O1 ZINC000833765116 604489707 /nfs/dbraw/zinc/48/97/07/604489707.db2.gz XLSQCDOBJQYEST-WBMJQRKESA-N -1 0 320.345 -0.060 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000829699363 604490058 /nfs/dbraw/zinc/49/00/58/604490058.db2.gz KQTGCSYTZAMQBT-FQEVSTJZSA-N -1 0 303.384 -0.691 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)N(C)C2CC2)CCO1 ZINC000825360728 604490749 /nfs/dbraw/zinc/49/07/49/604490749.db2.gz QDABCBMGJGRQSO-SCZZXKLOSA-N -1 0 307.372 -0.318 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)Cc2ccon2)CCO1 ZINC000825358309 604491799 /nfs/dbraw/zinc/49/17/99/604491799.db2.gz FPYRMIURMLXLSG-SCZZXKLOSA-N -1 0 319.339 -0.139 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)Cc2ccon2)CCO1 ZINC000825358311 604491822 /nfs/dbraw/zinc/49/18/22/604491822.db2.gz FPYRMIURMLXLSG-WPRPVWTQSA-N -1 0 319.339 -0.139 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829833477 604494689 /nfs/dbraw/zinc/49/46/89/604494689.db2.gz KUKRNYMUTGCGKV-VXNVDRBHSA-N -1 0 318.355 -0.236 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000825359131 604495030 /nfs/dbraw/zinc/49/50/30/604495030.db2.gz JTKMIBGQUAAITF-ZJUUUORDSA-N -1 0 309.388 -0.072 20 0 DBADRM COCCN(CC(=O)N1CCN(C(C)=O)C[C@@H]1C)C(=O)[O-] ZINC000828971348 604495098 /nfs/dbraw/zinc/49/50/98/604495098.db2.gz WMBGNQNTRPJIQF-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000829978965 604497307 /nfs/dbraw/zinc/49/73/07/604497307.db2.gz UPTMMFFLTMNPTH-BDAKNGLRSA-N -1 0 311.356 -0.453 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833447255 604503311 /nfs/dbraw/zinc/50/33/11/604503311.db2.gz NZAVPNHLAVYQOJ-NSHDSACASA-N -1 0 321.395 -0.116 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000231020044 604511965 /nfs/dbraw/zinc/51/19/65/604511965.db2.gz JUBYQSLCVXVPQK-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM O=C([O-])NC1(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)CC1 ZINC000832162617 604521320 /nfs/dbraw/zinc/52/13/20/604521320.db2.gz QNWZDXSCICSPKA-CPFSXVBKSA-N -1 0 310.310 -0.719 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)N2CCN3C(=O)OC[C@H]3C2)C1 ZINC000831894217 604522411 /nfs/dbraw/zinc/52/24/11/604522411.db2.gz GVZLVLQRSFBTPF-PELKAZGASA-N -1 0 301.274 -0.259 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCC(=O)N(C)C)CCO1 ZINC000825309754 604529987 /nfs/dbraw/zinc/52/99/87/604529987.db2.gz LNZUAJRWYVEMSM-RKDXNWHRSA-N -1 0 302.331 -0.859 20 0 DBADRM COCCN1CCN(C(=S)NCCCC(=O)[O-])CC1=O ZINC000833724116 604533840 /nfs/dbraw/zinc/53/38/40/604533840.db2.gz GTHDVNXQCKZKAX-UHFFFAOYSA-N -1 0 303.384 -0.484 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000833080637 604535353 /nfs/dbraw/zinc/53/53/53/604535353.db2.gz QIUVZTOWUQWCLU-ZCFIWIBFSA-N -1 0 311.319 -0.281 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)c1 ZINC000833151277 604548107 /nfs/dbraw/zinc/54/81/07/604548107.db2.gz OAJMIMZRQMNMKK-OCAPTIKFSA-N -1 0 314.319 -0.661 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)CCCNC(=O)c2cccnc2)CCOC1 ZINC000833098734 604550326 /nfs/dbraw/zinc/55/03/26/604550326.db2.gz NGZRWDSVOCKNBD-OAHLLOKOSA-N -1 0 321.333 -0.049 20 0 DBADRM CCc1[nH]c(C(=O)NC[C@@H](C)S(N)(=O)=O)c(C)c1C(=O)[O-] ZINC000833667925 604555710 /nfs/dbraw/zinc/55/57/10/604555710.db2.gz MGPGMQBODQWBJR-ZCFIWIBFSA-N -1 0 317.367 -0.009 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CCCNC(=O)c1cccnc1 ZINC000833138079 604556233 /nfs/dbraw/zinc/55/62/33/604556233.db2.gz GFJXFTWJFBFDLI-GFCCVEGCSA-N -1 0 321.333 -0.096 20 0 DBADRM C[C@@H](NC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1)C(=O)N(C)C ZINC000825317357 604559723 /nfs/dbraw/zinc/55/97/23/604559723.db2.gz FINLJHTZLXMRGS-AEJSXWLSSA-N -1 0 316.358 -0.470 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCC(=O)N(C)C)CCO1 ZINC000825309196 604559844 /nfs/dbraw/zinc/55/98/44/604559844.db2.gz INVQASJBBKJIHF-NXEZZACHSA-N -1 0 316.358 -0.469 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(C)C2)CCO1 ZINC000825309042 604561416 /nfs/dbraw/zinc/56/14/16/604561416.db2.gz INJZEIAWBIWUPP-AEJSXWLSSA-N -1 0 314.342 -0.716 20 0 DBADRM Cc1noc(CNC(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)n1 ZINC000830925225 604562244 /nfs/dbraw/zinc/56/22/44/604562244.db2.gz TXFFPTNYFJFYKI-CBAPKCEASA-N -1 0 313.314 -0.055 20 0 DBADRM O=C([O-])N1CC(NC(=O)NCc2ccc(-n3cncn3)nc2)C1 ZINC000831715092 604571868 /nfs/dbraw/zinc/57/18/68/604571868.db2.gz MHHKDPVTXDJPDF-UHFFFAOYSA-N -1 0 317.309 -0.176 20 0 DBADRM C[C@H](CC(=O)NCCS(N)(=O)=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824654446 604577831 /nfs/dbraw/zinc/57/78/31/604577831.db2.gz FXNLDIIKXPCRKQ-ZJUUUORDSA-N -1 0 321.399 -0.193 20 0 DBADRM COCCN(CC(=O)N1C[C@H]2OCCN(C)[C@@H]2C1)C(=O)[O-] ZINC000828970617 604583575 /nfs/dbraw/zinc/58/35/75/604583575.db2.gz BVIMWKGVDPGJQF-GHMZBOCLSA-N -1 0 301.343 -0.846 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000833390601 604585758 /nfs/dbraw/zinc/58/57/58/604585758.db2.gz AIGSFONYMZYDHF-WCBMZHEXSA-N -1 0 300.311 -0.480 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000827243286 604585828 /nfs/dbraw/zinc/58/58/28/604585828.db2.gz XLNJLEPYOBWGDD-UWVGGRQHSA-N -1 0 314.342 -0.715 20 0 DBADRM CC(=O)N1CCCC[C@H]1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000833394259 604586023 /nfs/dbraw/zinc/58/60/23/604586023.db2.gz OYRRBVMHPMFIRQ-LBPRGKRZSA-N -1 0 324.337 -0.151 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)COCCNC(=O)[O-])C1 ZINC000827248463 604587080 /nfs/dbraw/zinc/58/70/80/604587080.db2.gz BLZBOPWNWPVRBF-SECBINFHSA-N -1 0 302.331 -0.809 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000827243204 604587383 /nfs/dbraw/zinc/58/73/83/604587383.db2.gz WOGMOGYIVFXQNH-IVZWLZJFSA-N -1 0 314.342 -0.980 20 0 DBADRM O=C([O-])N1CC(NC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000831609950 604587594 /nfs/dbraw/zinc/58/75/94/604587594.db2.gz FGOKYKPZFTYZJO-ZETCQYMHSA-N -1 0 324.259 -0.189 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)NC3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000831004394 604588905 /nfs/dbraw/zinc/58/89/05/604588905.db2.gz JDGSFFYOJIHSOR-JTQLQIEISA-N -1 0 322.325 -0.813 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000738911641 604590269 /nfs/dbraw/zinc/59/02/69/604590269.db2.gz MXXJUURHPNTZDX-WDEREUQCSA-N -1 0 300.359 -0.241 20 0 DBADRM CCCNC(=O)NC(=O)CN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000826925340 604598997 /nfs/dbraw/zinc/59/89/97/604598997.db2.gz FNNZGBWHQPYWDV-VHSXEESVSA-N -1 0 316.358 -0.421 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CCCC(=O)NC(N)=O)CCO1 ZINC000825349304 604600384 /nfs/dbraw/zinc/60/03/84/604600384.db2.gz AUXNXMHYAXVUIS-IUCAKERBSA-N -1 0 302.331 -0.682 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000827475864 604611663 /nfs/dbraw/zinc/61/16/63/604611663.db2.gz PVQOKRHODXDFIX-UHFFFAOYSA-N -1 0 320.371 -0.975 20 0 DBADRM COCCN1CCN(C(=O)c2cncc(C(=O)[O-])c2)CC1=O ZINC000833724074 604616319 /nfs/dbraw/zinc/61/63/19/604616319.db2.gz FUCPOLODXJZQNM-UHFFFAOYSA-N -1 0 307.306 -0.289 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)NC3CN(C(=O)[O-])C3)CCO2)cn1 ZINC000831000185 604617702 /nfs/dbraw/zinc/61/77/02/604617702.db2.gz UHTCPEQBIZIYLD-NSHDSACASA-N -1 0 309.326 -0.135 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CC(=O)NC(=O)NC2CC2)CCO1 ZINC000825345949 604619258 /nfs/dbraw/zinc/61/92/58/604619258.db2.gz WUNIFDCHEKMLLM-PSASIEDQSA-N -1 0 314.342 -0.669 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC1CN(C(=O)[O-])C1 ZINC000828580033 604619412 /nfs/dbraw/zinc/61/94/12/604619412.db2.gz SUXMGHKILIDRNP-SECBINFHSA-N -1 0 320.371 -0.928 20 0 DBADRM COCCCNC(=O)[C@H](C)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828950216 604621017 /nfs/dbraw/zinc/62/10/17/604621017.db2.gz FOKWSZOOTYFTAR-SDDRHHMPSA-N -1 0 317.386 -0.116 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CCCN2C(=O)CNC2=O)CCO1 ZINC000825350968 604626232 /nfs/dbraw/zinc/62/62/32/604626232.db2.gz MBPHZBCQRYDLDM-VHSXEESVSA-N -1 0 314.342 -0.715 20 0 DBADRM CNS(=O)(=O)CCCN1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000828580383 604629056 /nfs/dbraw/zinc/62/90/56/604629056.db2.gz ZGNXVLIKLMJOMH-UWVGGRQHSA-N -1 0 309.388 -0.717 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000833665854 604637277 /nfs/dbraw/zinc/63/72/77/604637277.db2.gz NPMIBNYZGLXULB-YUMQZZPRSA-N -1 0 301.386 -0.550 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000833665846 604637522 /nfs/dbraw/zinc/63/75/22/604637522.db2.gz NPMIBNYZGLXULB-HTQZYQBOSA-N -1 0 301.386 -0.550 20 0 DBADRM COCCCNC(=O)CN1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000828950416 604637623 /nfs/dbraw/zinc/63/76/23/604637623.db2.gz IJBXNROUGKDXJF-QWRGUYRKSA-N -1 0 303.359 -0.504 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCCN2CCOCC2)C1 ZINC000831675716 604639377 /nfs/dbraw/zinc/63/93/77/604639377.db2.gz HZUCGVSSKGBEAZ-NSHDSACASA-N -1 0 301.343 -0.796 20 0 DBADRM CCOC(=O)N1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827328517 604640800 /nfs/dbraw/zinc/64/08/00/604640800.db2.gz OFWQGSOFKOYSSL-JTQLQIEISA-N -1 0 315.326 -0.334 20 0 DBADRM Cc1nnc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])C2)[nH]1 ZINC000830735846 604647004 /nfs/dbraw/zinc/64/70/04/604647004.db2.gz VWVLTUSNIFUQCB-GMTAPVOTSA-N -1 0 323.353 -0.068 20 0 DBADRM COC(=O)[C@@H](C)NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000828723372 604648329 /nfs/dbraw/zinc/64/83/29/604648329.db2.gz NHMDLTDQRHDWTM-SECBINFHSA-N -1 0 301.343 -0.262 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CN(C(=O)[O-])CCO1)N1CCOCC1 ZINC000823906489 604649659 /nfs/dbraw/zinc/64/96/59/604649659.db2.gz DPSHOQMVHHYXRX-LLVKDONJSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@@H]1C(=O)[O-] ZINC000833625856 604653652 /nfs/dbraw/zinc/65/36/52/604653652.db2.gz VERVQAUQSWMJST-XPUUQOCRSA-N -1 0 302.308 -0.280 20 0 DBADRM CC(C)C(=O)NCCCNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000819954922 604654454 /nfs/dbraw/zinc/65/44/54/604654454.db2.gz DAMZMNVNHMTFCG-SNVBAGLBSA-N -1 0 301.343 -0.356 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])c1=O ZINC000833055598 604659700 /nfs/dbraw/zinc/65/97/00/604659700.db2.gz GRXACNUISUPLTK-VIFPVBQESA-N -1 0 307.306 -0.211 20 0 DBADRM CN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000827754554 604659741 /nfs/dbraw/zinc/65/97/41/604659741.db2.gz YSBDJIPSJYFBQU-VHSXEESVSA-N -1 0 320.367 -0.599 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCO1 ZINC000825336442 604667110 /nfs/dbraw/zinc/66/71/10/604667110.db2.gz SPAHDTUCQBXIDK-WCBMZHEXSA-N -1 0 310.310 -0.723 20 0 DBADRM CNC(=O)C1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828532085 604667849 /nfs/dbraw/zinc/66/78/49/604667849.db2.gz NJPVSMHJNHTELL-NSHDSACASA-N -1 0 313.354 -0.260 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828624314 604672808 /nfs/dbraw/zinc/67/28/08/604672808.db2.gz MUZXVHFHJHPASA-AXTSPUMRSA-N -1 0 300.311 -0.321 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCO1 ZINC000825335019 604673440 /nfs/dbraw/zinc/67/34/40/604673440.db2.gz LPLVKCPHACLLSY-KWQFWETISA-N -1 0 322.321 -0.322 20 0 DBADRM CCCC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826705480 604674350 /nfs/dbraw/zinc/67/43/50/604674350.db2.gz ANOMYGUXNUTSNT-NXEZZACHSA-N -1 0 301.343 -0.214 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828426706 604681741 /nfs/dbraw/zinc/68/17/41/604681741.db2.gz NUSZPVAMPGHTIH-JTQLQIEISA-N -1 0 323.353 -0.048 20 0 DBADRM CCN1C[C@@H](C(=O)O[C@@H](C)c2cn(CC(=O)[O-])nn2)CC1=O ZINC000829746431 604682691 /nfs/dbraw/zinc/68/26/91/604682691.db2.gz XLJHYOBGRIXCPP-IUCAKERBSA-N -1 0 310.310 -0.165 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cccn(C)c2=O)CCO1 ZINC000825335783 604688822 /nfs/dbraw/zinc/68/88/22/604688822.db2.gz PJBFYVPBTOVMSU-GXSJLCMTSA-N -1 0 309.322 -0.118 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827471479 604690852 /nfs/dbraw/zinc/69/08/52/604690852.db2.gz IXCMLXXXOPUPAW-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM CC[S@](=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000829294633 604693070 /nfs/dbraw/zinc/69/30/70/604693070.db2.gz VESOHGMXHRFUSW-SFHVURJKSA-N -1 0 306.365 -0.173 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)c2cnn3cccnc23)nn1 ZINC000833270488 604698063 /nfs/dbraw/zinc/69/80/63/604698063.db2.gz XVVFOXLZCUHVDW-UHFFFAOYSA-N -1 0 316.277 -0.195 20 0 DBADRM C[C@@H](OC(=O)CCN1C(=O)CCC1=O)c1cn(CC(=O)[O-])nn1 ZINC000827833699 604699596 /nfs/dbraw/zinc/69/95/96/604699596.db2.gz NAHRSGRRIVBOSA-MRVPVSSYSA-N -1 0 324.293 -0.494 20 0 DBADRM CN(C)C(=O)COc1ccccc1C(=O)N[C@H](CO)C(=O)[O-] ZINC000830557309 604699877 /nfs/dbraw/zinc/69/98/77/604699877.db2.gz UETASUOJLNLQQF-SNVBAGLBSA-N -1 0 310.306 -0.671 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)OCCc2cn(CC(=O)[O-])nn2)C1 ZINC000825828902 604700151 /nfs/dbraw/zinc/70/01/51/604700151.db2.gz QSQKLWWIIWTSJQ-CQSZACIVSA-N -1 0 324.337 -0.293 20 0 DBADRM CN1N=C(C(=O)OCCc2cn(CC(=O)[O-])nn2)CCC1=O ZINC000830968894 604702350 /nfs/dbraw/zinc/70/23/50/604702350.db2.gz XGWZISRUUUNRFE-UHFFFAOYSA-N -1 0 309.282 -0.943 20 0 DBADRM Cn1cnnc1[C@H]1CCCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831046907 604704883 /nfs/dbraw/zinc/70/48/83/604704883.db2.gz WMQIWFPODGRMOK-WDEREUQCSA-N -1 0 323.353 -0.100 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CC(=O)[O-])nc1 ZINC000833762625 604708941 /nfs/dbraw/zinc/70/89/41/604708941.db2.gz YPKKRVKYKSWINA-QMMMGPOBSA-N -1 0 313.335 -0.192 20 0 DBADRM CCOCCOCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827406227 604709753 /nfs/dbraw/zinc/70/97/53/604709753.db2.gz YWOHJOLZXDHOJN-WDEREUQCSA-N -1 0 304.343 -0.077 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)Cn2cccnc2=O)CCO1 ZINC000825310367 604711283 /nfs/dbraw/zinc/71/12/83/604711283.db2.gz NZCCIKQMDAXULN-VHSXEESVSA-N -1 0 310.310 -0.873 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)Cn2cccnc2=O)CCO1 ZINC000825310369 604711436 /nfs/dbraw/zinc/71/14/36/604711436.db2.gz NZCCIKQMDAXULN-ZJUUUORDSA-N -1 0 310.310 -0.873 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)Cn2cccnc2=O)CCO1 ZINC000825310357 604711497 /nfs/dbraw/zinc/71/14/97/604711497.db2.gz NZCCIKQMDAXULN-NXEZZACHSA-N -1 0 310.310 -0.873 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000824908044 604711845 /nfs/dbraw/zinc/71/18/45/604711845.db2.gz PZDTXTOKMPIYHY-GHMZBOCLSA-N -1 0 301.343 -0.798 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CCCN1C(=O)CCC1=O ZINC000829945784 604713385 /nfs/dbraw/zinc/71/33/85/604713385.db2.gz FXTWKGVEEMJZIC-JTQLQIEISA-N -1 0 314.338 -0.136 20 0 DBADRM CN([C@H]1CCNC1=O)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000833691055 604713691 /nfs/dbraw/zinc/71/36/91/604713691.db2.gz HVVLMNZSGLISPK-NSHDSACASA-N -1 0 312.347 -0.177 20 0 DBADRM NC(=O)Cn1cc(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000831199575 604714843 /nfs/dbraw/zinc/71/48/43/604714843.db2.gz DPYJYRNAFRBDTM-SECBINFHSA-N -1 0 311.298 -0.924 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)NCCCN1CCN(C(=O)[O-])CC1 ZINC000831400176 604719363 /nfs/dbraw/zinc/71/93/63/604719363.db2.gz BGFVMWRRIPKGFE-LLVKDONJSA-N -1 0 313.354 -0.259 20 0 DBADRM COc1ncc(C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)cn1 ZINC000829659882 604725360 /nfs/dbraw/zinc/72/53/60/604725360.db2.gz GKBMJOIPUIIVFE-WPRPVWTQSA-N -1 0 310.310 -0.018 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)C(=O)c2cnn(C)c2)CCO1 ZINC000825294352 604726132 /nfs/dbraw/zinc/72/61/32/604726132.db2.gz KWFGRDSGFXGDPA-WPRPVWTQSA-N -1 0 310.310 -0.514 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000829972777 604730103 /nfs/dbraw/zinc/73/01/03/604730103.db2.gz KFYKSSYMUFXRIK-SSDOTTSWSA-N -1 0 320.323 -0.511 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)Cn1cnc2c1ncnc2N ZINC000829961306 604730742 /nfs/dbraw/zinc/73/07/42/604730742.db2.gz QILNTBREQIZHSB-MRVPVSSYSA-N -1 0 322.325 -0.643 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000829984229 604734889 /nfs/dbraw/zinc/73/48/89/604734889.db2.gz IUAYWSFGYUGELE-VIFPVBQESA-N -1 0 314.298 -0.987 20 0 DBADRM NC(=O)Cc1csc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)n1 ZINC000831200058 604736565 /nfs/dbraw/zinc/73/65/65/604736565.db2.gz RHAMMQSJSUTNPC-SSDOTTSWSA-N -1 0 314.323 -0.512 20 0 DBADRM CC(C)n1nccc1NC(=O)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000833513290 604736626 /nfs/dbraw/zinc/73/66/26/604736626.db2.gz BHJHLIVHRRRPLH-UHFFFAOYSA-N -1 0 324.337 -0.159 20 0 DBADRM Cc1cc(C(=O)NCCOCC(N)=O)cc(C)c1OCC(=O)[O-] ZINC000832864119 604744736 /nfs/dbraw/zinc/74/47/36/604744736.db2.gz KYSMMKOSVMFICT-UHFFFAOYSA-N -1 0 324.333 -0.001 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000830017255 604749786 /nfs/dbraw/zinc/74/97/86/604749786.db2.gz JLHMNAJNYVIYCV-JTQLQIEISA-N -1 0 322.383 -0.592 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000833472859 604750814 /nfs/dbraw/zinc/75/08/14/604750814.db2.gz FJAPNXMYZOGFHA-UHFFFAOYSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)NC(C)(C)C ZINC000825095205 604752305 /nfs/dbraw/zinc/75/23/05/604752305.db2.gz VHHOJNBAGLQOFL-RKDXNWHRSA-N -1 0 301.343 -0.215 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)NC(C)(C)C ZINC000825095200 604752547 /nfs/dbraw/zinc/75/25/47/604752547.db2.gz VHHOJNBAGLQOFL-BDAKNGLRSA-N -1 0 301.343 -0.215 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000395316497 604753654 /nfs/dbraw/zinc/75/36/54/604753654.db2.gz RKOVQTAHKWHYCP-UHFFFAOYSA-N -1 0 300.355 -0.023 20 0 DBADRM CCCCNC(=O)NC(=O)COC(=O)C1(NC(=O)[O-])CC1 ZINC000826836688 604755289 /nfs/dbraw/zinc/75/52/89/604755289.db2.gz OYIKQKBUWQOEHY-UHFFFAOYSA-N -1 0 301.299 -0.044 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000831167385 604758110 /nfs/dbraw/zinc/75/81/10/604758110.db2.gz JUQWFZUTXBAIFP-NWDGAFQWSA-N -1 0 321.333 -0.422 20 0 DBADRM CCn1c(N)c(C(=O)CN2CCC[C@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC000820506314 604763558 /nfs/dbraw/zinc/76/35/58/604763558.db2.gz CAWBLSBKHSMPBT-ZETCQYMHSA-N -1 0 310.310 -0.717 20 0 DBADRM CS(=O)(=O)Cc1ccc(C(=O)NC2CN(C(=O)[O-])C2)o1 ZINC000739985586 604768914 /nfs/dbraw/zinc/76/89/14/604768914.db2.gz ULMUWSFTXZSWPV-UHFFFAOYSA-N -1 0 302.308 -0.084 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1cn(C)c(=O)n(C)c1=O ZINC000833504208 604770459 /nfs/dbraw/zinc/77/04/59/604770459.db2.gz AESICEQRMWXYMC-LLVKDONJSA-N -1 0 313.354 -0.606 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)NC1CN(C(=O)[O-])C1 ZINC000830805453 604777611 /nfs/dbraw/zinc/77/76/11/604777611.db2.gz YTXPLEBAOGYAQT-UHFFFAOYSA-N -1 0 319.325 -0.656 20 0 DBADRM C[C@H]1CN(CCNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000826059527 604803433 /nfs/dbraw/zinc/80/34/33/604803433.db2.gz WNYAYIHNXMPYHO-NWDGAFQWSA-N -1 0 315.370 -0.408 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)CN2CCN(C(=O)[O-])CC2=O)O1 ZINC000825739639 604807109 /nfs/dbraw/zinc/80/71/09/604807109.db2.gz NGXXLIJMDJEXLU-SECBINFHSA-N -1 0 315.326 -0.924 20 0 DBADRM CS(=O)(=O)NCCNC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832694257 604808931 /nfs/dbraw/zinc/80/89/31/604808931.db2.gz CSMNBKLTLUCYCT-UHFFFAOYSA-N -1 0 304.299 -0.197 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)NCC(=O)Nc2cccnc2)C1 ZINC000831381847 604809206 /nfs/dbraw/zinc/80/92/06/604809206.db2.gz MVRYECQAOIYWGX-LLVKDONJSA-N -1 0 322.321 -0.095 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000832050399 604809496 /nfs/dbraw/zinc/80/94/96/604809496.db2.gz PGMQSIVDNKBMER-LLVKDONJSA-N -1 0 321.337 -0.496 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCC(=O)OCC1CC1 ZINC000831381906 604812499 /nfs/dbraw/zinc/81/24/99/604812499.db2.gz NVWCUPIZKWPOFV-JTQLQIEISA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@H](C3OCCO3)C2)C1 ZINC000832049626 604813491 /nfs/dbraw/zinc/81/34/91/604813491.db2.gz HJYXUKLXEPRHIH-WDEREUQCSA-N -1 0 314.338 -0.023 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000825176770 604816730 /nfs/dbraw/zinc/81/67/30/604816730.db2.gz BKLIGSMROSCAKX-VXGBXAGGSA-N -1 0 315.370 -0.408 20 0 DBADRM O=C([O-])NCC(=O)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000832391549 604817247 /nfs/dbraw/zinc/81/72/47/604817247.db2.gz CYUNYIKFIAICQT-NSHDSACASA-N -1 0 301.343 -0.796 20 0 DBADRM COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828630222 604818039 /nfs/dbraw/zinc/81/80/39/604818039.db2.gz CFXCTNRAMMRHLS-NXEZZACHSA-N -1 0 300.311 -0.223 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000823557106 604818321 /nfs/dbraw/zinc/81/83/21/604818321.db2.gz UHJJXWAZCRQAQX-DLOVCJGASA-N -1 0 313.354 -0.119 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828341933 604823638 /nfs/dbraw/zinc/82/36/38/604823638.db2.gz WFTRWBDJAOXWPD-VIFPVBQESA-N -1 0 308.356 -0.742 20 0 DBADRM CCS(=O)(=O)CCNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827471198 604823389 /nfs/dbraw/zinc/82/33/89/604823389.db2.gz HDOXNJLHLPLMDK-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000827289833 604828784 /nfs/dbraw/zinc/82/87/84/604828784.db2.gz BIPIMSSJCIESKI-VIFPVBQESA-N -1 0 315.351 -0.413 20 0 DBADRM O=C([O-])c1ccc(C(=O)OCCN2CCCS2(=O)=O)cn1 ZINC000833350514 604836555 /nfs/dbraw/zinc/83/65/55/604836555.db2.gz YWLANWSOLMBQJS-UHFFFAOYSA-N -1 0 314.319 -0.028 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@@H](n3cncn3)C2)C1 ZINC000832049099 604838111 /nfs/dbraw/zinc/83/81/11/604838111.db2.gz CDMUHOSBAKZNKZ-GHMZBOCLSA-N -1 0 309.326 -0.180 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@@H](n3cncn3)C2)C1 ZINC000832049100 604838244 /nfs/dbraw/zinc/83/82/44/604838244.db2.gz CDMUHOSBAKZNKZ-MNOVXSKESA-N -1 0 309.326 -0.180 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)[C@H](C)N1CCOCC1 ZINC000825094989 604839418 /nfs/dbraw/zinc/83/94/18/604839418.db2.gz VFGQUNJIFQXDJE-SRVKXCTJSA-N -1 0 315.370 -0.409 20 0 DBADRM CCc1nnc2n1CCN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)C2 ZINC000827656310 604840668 /nfs/dbraw/zinc/84/06/68/604840668.db2.gz PJFWZEICLKQUTD-SECBINFHSA-N -1 0 309.326 -0.439 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCCN2C(=O)CCC2=O)C1 ZINC000831671923 604843160 /nfs/dbraw/zinc/84/31/60/604843160.db2.gz NSUYQTURBHRUGN-SECBINFHSA-N -1 0 313.310 -0.980 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000833746824 604844245 /nfs/dbraw/zinc/84/42/45/604844245.db2.gz JELAUKQPCCQHTG-ZDUSSCGKSA-N -1 0 312.347 -0.061 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000833431416 604847136 /nfs/dbraw/zinc/84/71/36/604847136.db2.gz WSWDPEDUOIGDTJ-LLVKDONJSA-N -1 0 324.424 -0.219 20 0 DBADRM C[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C1CCOCC1 ZINC000825122810 604852439 /nfs/dbraw/zinc/85/24/39/604852439.db2.gz XMGSVUHWDVHPQC-SNVBAGLBSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCOC[C@H]2CCOC2)C1 ZINC000831694206 604854709 /nfs/dbraw/zinc/85/47/09/604854709.db2.gz SJKPIQAVOFKRCE-WDEREUQCSA-N -1 0 302.327 -0.466 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827470897 604858868 /nfs/dbraw/zinc/85/88/68/604858868.db2.gz DVRYOBUCVUVKPI-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827470896 604858898 /nfs/dbraw/zinc/85/88/98/604858898.db2.gz DVRYOBUCVUVKPI-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM COc1ncc(NC(=O)NC2CN(C(=O)[O-])C2)cc1C(N)=O ZINC000829660298 604861615 /nfs/dbraw/zinc/86/16/15/604861615.db2.gz KNNXWYFUTREAIN-UHFFFAOYSA-N -1 0 309.282 -0.327 20 0 DBADRM CN(C(=O)c1cn(CC(N)=O)nn1)C1(C(=O)[O-])CCCCC1 ZINC000833686993 604867285 /nfs/dbraw/zinc/86/72/85/604867285.db2.gz YHTJFHNXQAVGSF-UHFFFAOYSA-N -1 0 309.326 -0.377 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000824809405 604871624 /nfs/dbraw/zinc/87/16/24/604871624.db2.gz GTLIFCAZAUYMFY-JGVFFNPUSA-N -1 0 310.397 -0.021 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000824809403 604871749 /nfs/dbraw/zinc/87/17/49/604871749.db2.gz GTLIFCAZAUYMFY-HTQZYQBOSA-N -1 0 310.397 -0.021 20 0 DBADRM COCCOC[C@H](C)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829002182 604872897 /nfs/dbraw/zinc/87/28/97/604872897.db2.gz NVVMXTOXAPJWAQ-WDEREUQCSA-N -1 0 304.343 -0.077 20 0 DBADRM COCCOC[C@H](C)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000829002181 604873081 /nfs/dbraw/zinc/87/30/81/604873081.db2.gz NVVMXTOXAPJWAQ-QWRGUYRKSA-N -1 0 304.343 -0.077 20 0 DBADRM COCCOC[C@@H](C)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000829002180 604873186 /nfs/dbraw/zinc/87/31/86/604873186.db2.gz NVVMXTOXAPJWAQ-MNOVXSKESA-N -1 0 304.343 -0.077 20 0 DBADRM C[C@H](NC(=O)COC(=O)c1cnccc1C(=O)[O-])C(=O)N(C)C ZINC000827635083 604876519 /nfs/dbraw/zinc/87/65/19/604876519.db2.gz BGWBFPKZJIIKDH-QMMMGPOBSA-N -1 0 323.305 -0.471 20 0 DBADRM CCOCCN1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827400221 604880525 /nfs/dbraw/zinc/88/05/25/604880525.db2.gz ZIAHZJDUEXULKL-LBPRGKRZSA-N -1 0 315.370 -0.454 20 0 DBADRM NC(=O)CN1C[C@H](OC(=O)c2ccc(C(=O)[O-])c(F)c2)CC1=O ZINC000833081604 604886055 /nfs/dbraw/zinc/88/60/55/604886055.db2.gz NFCKVZRBKWQNGQ-MRVPVSSYSA-N -1 0 324.264 -0.233 20 0 DBADRM NC(=O)CN1C[C@@H](OC(=O)c2ccc(C(=O)[O-])c(F)c2)CC1=O ZINC000833081605 604886131 /nfs/dbraw/zinc/88/61/31/604886131.db2.gz NFCKVZRBKWQNGQ-QMMMGPOBSA-N -1 0 324.264 -0.233 20 0 DBADRM C[C@H](OC(=O)c1ccc(C(N)=O)o1)c1cn(CC(=O)[O-])nn1 ZINC000833533230 604886271 /nfs/dbraw/zinc/88/62/71/604886271.db2.gz WIJUMYGSKRKTPX-LURJTMIESA-N -1 0 308.250 -0.027 20 0 DBADRM NC(=O)c1ccc(CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)o1 ZINC000831222474 604886331 /nfs/dbraw/zinc/88/63/31/604886331.db2.gz IQBDTIZOMMUMPL-SECBINFHSA-N -1 0 311.294 -0.236 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000832059923 604886367 /nfs/dbraw/zinc/88/63/67/604886367.db2.gz DAWBJZBCKYHHQH-NSHDSACASA-N -1 0 311.338 -0.412 20 0 DBADRM CC(C)(CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1)S(C)(=O)=O ZINC000823907469 604887269 /nfs/dbraw/zinc/88/72/69/604887269.db2.gz PRIPJJSHHGCAFD-VIFPVBQESA-N -1 0 322.383 -0.305 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCO[C@H](Cn3cccn3)C2)C1 ZINC000832048958 604891313 /nfs/dbraw/zinc/89/13/13/604891313.db2.gz BKMFSCIVSKBGNV-NWDGAFQWSA-N -1 0 324.337 -0.511 20 0 DBADRM Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000830799323 604891631 /nfs/dbraw/zinc/89/16/31/604891631.db2.gz MQGWPABDEYEZNK-ZJUUUORDSA-N -1 0 309.326 -0.084 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCC[C@@H](OCCO)C2)n1 ZINC000833274994 604896137 /nfs/dbraw/zinc/89/61/37/604896137.db2.gz DWGBAHURHXZDFD-SNVBAGLBSA-N -1 0 312.326 -0.027 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1CCc1cn(CC(=O)[O-])nn1 ZINC000833586826 604896631 /nfs/dbraw/zinc/89/66/31/604896631.db2.gz HBQTVOBZNPJIKA-UWVGGRQHSA-N -1 0 316.383 -0.587 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000832049943 604898370 /nfs/dbraw/zinc/89/83/70/604898370.db2.gz LGMYQCLEUWSLGZ-TUAOUCFPSA-N -1 0 314.338 -0.228 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000825014921 604900547 /nfs/dbraw/zinc/90/05/47/604900547.db2.gz BMHRXJYVRYPYGD-UWVGGRQHSA-N -1 0 322.383 -0.353 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000827242017 604901112 /nfs/dbraw/zinc/90/11/12/604901112.db2.gz HEVMEZPEDCSNFX-ZJUUUORDSA-N -1 0 314.342 -0.715 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000829669108 604901412 /nfs/dbraw/zinc/90/14/12/604901412.db2.gz KZFUWHJKVTVTFR-JTQLQIEISA-N -1 0 320.367 -0.599 20 0 DBADRM C[C@H](OC(=O)CN(C)[C@@H]1CCSC1)C(=O)NCC(=O)[O-] ZINC000833529246 604906392 /nfs/dbraw/zinc/90/63/92/604906392.db2.gz NNRZNLUPPATBAO-DTWKUNHWSA-N -1 0 304.368 -0.444 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000831009007 604908318 /nfs/dbraw/zinc/90/83/18/604908318.db2.gz HRZRANISHDOUEY-SECBINFHSA-N -1 0 309.326 -0.135 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])cn1 ZINC000831009420 604914208 /nfs/dbraw/zinc/91/42/08/604914208.db2.gz TYXSESJIWPXFND-WCBMZHEXSA-N -1 0 309.326 -0.089 20 0 DBADRM C[C@H](C(=O)NC1CN(C(=O)[O-])C1)S(=O)(=O)C1CCOCC1 ZINC000823684532 604921660 /nfs/dbraw/zinc/92/16/60/604921660.db2.gz BTHTUCQPJTUTHR-MRVPVSSYSA-N -1 0 320.367 -0.553 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000824809107 604927307 /nfs/dbraw/zinc/92/73/07/604927307.db2.gz DDSNWLJGHDPCCX-VGMNWLOBSA-N -1 0 308.356 -0.961 20 0 DBADRM NC(=O)c1csc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)n1 ZINC000831241861 604930312 /nfs/dbraw/zinc/93/03/12/604930312.db2.gz ZOBHSYAXKPMJBR-LURJTMIESA-N -1 0 300.296 -0.441 20 0 DBADRM CC(C)(C)[C@H](O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000823758872 604933895 /nfs/dbraw/zinc/93/38/95/604933895.db2.gz CAQCASKGMWYIJT-SECBINFHSA-N -1 0 301.343 -0.668 20 0 DBADRM O=C([O-])N1CC(OCC(=O)NC[C@@]2(CCO)CCOC2)C1 ZINC000831528736 604934101 /nfs/dbraw/zinc/93/41/01/604934101.db2.gz AZJHLLZRVIAXFU-CYBMUJFWSA-N -1 0 302.327 -0.730 20 0 DBADRM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)CN(C)C(=O)[O-])C2)C1=O ZINC000833500630 604941087 /nfs/dbraw/zinc/94/10/87/604941087.db2.gz NPZNJFZELQRKCX-CYBMUJFWSA-N -1 0 312.326 -0.473 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000825779465 604942396 /nfs/dbraw/zinc/94/23/96/604942396.db2.gz ZQTOWDGQUGYRFA-ILIYQTJMSA-N -1 0 304.368 -0.267 20 0 DBADRM C[C@H]1CN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCS1(=O)=O ZINC000825984135 604944009 /nfs/dbraw/zinc/94/40/09/604944009.db2.gz UMWOMWSDGMPCOT-VHSXEESVSA-N -1 0 320.367 -0.599 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000825177361 604952598 /nfs/dbraw/zinc/95/25/98/604952598.db2.gz JNGOPOTXBWAQKQ-WEDXCCLWSA-N -1 0 309.326 -0.314 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N1CCC[C@H]1CC(=O)[O-] ZINC000832694518 604974058 /nfs/dbraw/zinc/97/40/58/604974058.db2.gz FSGQKOXOOKHXBW-QMMMGPOBSA-N -1 0 309.413 -0.651 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000831050592 604976250 /nfs/dbraw/zinc/97/62/50/604976250.db2.gz NKPDJVDQZZADSE-NSHDSACASA-N -1 0 322.321 -0.956 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN([C@@H]2CCOC2)CC1)C(=O)[O-] ZINC000833520969 605010292 /nfs/dbraw/zinc/01/02/92/605010292.db2.gz WXAXYFSQZXOAJX-WDEREUQCSA-N -1 0 306.384 -0.557 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCSC[C@@H]1C(N)=O)C(=O)[O-] ZINC000833476797 605015239 /nfs/dbraw/zinc/01/52/39/605015239.db2.gz DNETZBHXBAPWQC-NXEZZACHSA-N -1 0 317.411 -0.495 20 0 DBADRM CC[C@@H](OC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000833645691 605016516 /nfs/dbraw/zinc/01/65/16/605016516.db2.gz PQOIGSLBUHPBLC-SSDOTTSWSA-N -1 0 305.312 -0.895 20 0 DBADRM C[C@H](C(=O)NC[C@H](O)C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000833405684 605025306 /nfs/dbraw/zinc/02/53/06/605025306.db2.gz YCKBOADYMYREHL-SCZZXKLOSA-N -1 0 305.294 -0.537 20 0 DBADRM CC(=O)[C@@H]1CC(C(=O)NC[C@H](O)C(=O)[O-])=NN1c1ccccc1 ZINC000833387736 605025315 /nfs/dbraw/zinc/02/53/15/605025315.db2.gz KVRMOWWBWFUAMM-STQMWFEESA-N -1 0 319.317 -0.228 20 0 DBADRM CC(C)NC(=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833501821 605025444 /nfs/dbraw/zinc/02/54/44/605025444.db2.gz KBCPAINKNGZXQO-UHFFFAOYSA-N -1 0 324.337 -0.307 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)NCCSCC(=O)[O-] ZINC000833678748 605028185 /nfs/dbraw/zinc/02/81/85/605028185.db2.gz YAAWCCIOYSGVQK-UHFFFAOYSA-N -1 0 314.367 -0.145 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)C(=O)[O-] ZINC000833518247 605028910 /nfs/dbraw/zinc/02/89/10/605028910.db2.gz WBKJGKPXAYYWKO-ZCFIWIBFSA-N -1 0 311.269 -0.300 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)c2csnc2C(=O)[O-])C1=O ZINC000833698792 605030431 /nfs/dbraw/zinc/03/04/31/605030431.db2.gz WHMADWQCKCUFLL-YFKPBYRVSA-N -1 0 305.337 -0.650 20 0 DBADRM CC(C)(C)CN(CCO)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833429915 605033386 /nfs/dbraw/zinc/03/33/86/605033386.db2.gz AOQIMVVLSAJWSC-UHFFFAOYSA-N -1 0 319.383 -0.003 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC[S@](C)=O ZINC000833627693 605053958 /nfs/dbraw/zinc/05/39/58/605053958.db2.gz ZIKTULAKDCIZTA-FVINQWEUSA-N -1 0 305.400 -0.445 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)C1 ZINC000833553578 605055040 /nfs/dbraw/zinc/05/50/40/605055040.db2.gz FSMOSEQAOQKCET-GFCCVEGCSA-N -1 0 313.335 -0.334 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)OC[C@@H]1CCCOC1 ZINC000831488342 605065893 /nfs/dbraw/zinc/06/58/93/605065893.db2.gz CYAFISKUZLHFSX-SNVBAGLBSA-N -1 0 300.311 -0.222 20 0 DBADRM NC(=O)COCCNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000230041368 605073637 /nfs/dbraw/zinc/07/36/37/605073637.db2.gz HACGHAVVCSGZCS-UHFFFAOYSA-N -1 0 316.335 -0.694 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000831647758 605074092 /nfs/dbraw/zinc/07/40/92/605074092.db2.gz QABIPFPBBXIDHE-SFYZADRCSA-N -1 0 308.381 -0.267 20 0 DBADRM NC(=O)COCCNS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC000833761693 605075256 /nfs/dbraw/zinc/07/52/56/605075256.db2.gz QXEYHANWFSALHU-UHFFFAOYSA-N -1 0 316.335 -0.694 20 0 DBADRM NC(=O)COCCNS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833761690 605075906 /nfs/dbraw/zinc/07/59/06/605075906.db2.gz QJDHPPSNQCLUGI-UHFFFAOYSA-N -1 0 320.298 -0.696 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NC[C@H]1CCCS1(=O)=O ZINC000831529109 605077012 /nfs/dbraw/zinc/07/70/12/605077012.db2.gz GDPDBTHFSNFGOB-SECBINFHSA-N -1 0 306.340 -0.941 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC000827539336 605079038 /nfs/dbraw/zinc/07/90/38/605079038.db2.gz RQGHQXZUVLJYMJ-DTWKUNHWSA-N -1 0 315.326 -0.558 20 0 DBADRM CC(=O)N1CC[C@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])[C@H](C)C1 ZINC000833393774 605079955 /nfs/dbraw/zinc/07/99/55/605079955.db2.gz MCFOPSAESUVVQJ-KKZNHRDASA-N -1 0 306.384 -0.117 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C ZINC000827538128 605080789 /nfs/dbraw/zinc/08/07/89/605080789.db2.gz BAPUMXRIRRGPOT-YUMQZZPRSA-N -1 0 303.315 -0.831 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)OCc1nc(CS(C)(=O)=O)no1 ZINC000827548449 605081895 /nfs/dbraw/zinc/08/18/95/605081895.db2.gz VWQUZLSSEPZCOO-LURJTMIESA-N -1 0 321.311 -0.296 20 0 DBADRM CCCN(C(=O)NC1CN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000833651786 605083910 /nfs/dbraw/zinc/08/39/10/605083910.db2.gz ZVHABARRNFYTOP-JTQLQIEISA-N -1 0 319.383 -0.043 20 0 DBADRM CS[C@@H](C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000826225447 607733422 /nfs/dbraw/zinc/73/34/22/607733422.db2.gz CIBOQLCMANOKHF-LURJTMIESA-N -1 0 311.371 -0.573 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)N2CC[C@H](NC(=O)[O-])C2)cn1 ZINC000827965447 605087336 /nfs/dbraw/zinc/08/73/36/605087336.db2.gz BCPTVDAMSUUNCX-VIFPVBQESA-N -1 0 324.341 -0.155 20 0 DBADRM C[C@@H](CNC(=O)N1CC[C@H](NC(=O)[O-])C1)N1CCOCC1 ZINC000738914274 605092419 /nfs/dbraw/zinc/09/24/19/605092419.db2.gz BRJLDTQACCXZAR-QWRGUYRKSA-N -1 0 300.359 -0.241 20 0 DBADRM COC(=O)c1cc(NC(=O)COC(=O)CO)cc(C(=O)[O-])c1 ZINC000833714132 605092863 /nfs/dbraw/zinc/09/28/63/605092863.db2.gz BXZSEBJBGCATDW-UHFFFAOYSA-N -1 0 311.246 -0.355 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000740586388 605093206 /nfs/dbraw/zinc/09/32/06/605093206.db2.gz FEUMBLHCASCLSU-IUCAKERBSA-N -1 0 305.356 -0.527 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@H](NC(=O)[O-])C1)NS(C)(=O)=O ZINC000738750011 605099569 /nfs/dbraw/zinc/09/95/69/605099569.db2.gz IUEPGEYHHJHYFT-QMMMGPOBSA-N -1 0 322.387 -0.634 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000833507731 605099735 /nfs/dbraw/zinc/09/97/35/605099735.db2.gz FCSJWEGBXYVFQF-UHFFFAOYSA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(C(N)=O)o1 ZINC000833626709 605100499 /nfs/dbraw/zinc/10/04/99/605100499.db2.gz RPWOWVSHHUTZIT-VIFPVBQESA-N -1 0 309.322 -0.001 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000829668559 605108504 /nfs/dbraw/zinc/10/85/04/605108504.db2.gz GFDOYYUPPUMQGL-VIFPVBQESA-N -1 0 319.383 -0.137 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000833620612 605108507 /nfs/dbraw/zinc/10/85/07/605108507.db2.gz LMBKSWWLNCNNAO-WDEREUQCSA-N -1 0 318.395 -0.572 20 0 DBADRM CN(C)c1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)cn1 ZINC000739617783 605114478 /nfs/dbraw/zinc/11/44/78/605114478.db2.gz JJYLPDDZXMIZFA-JTQLQIEISA-N -1 0 321.337 -0.045 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)ccc1=O ZINC000739567663 605117326 /nfs/dbraw/zinc/11/73/26/605117326.db2.gz SZEBUKAQARUFLO-JTQLQIEISA-N -1 0 322.321 -0.325 20 0 DBADRM CC(C)Cn1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cn1 ZINC000833493657 605118522 /nfs/dbraw/zinc/11/85/22/605118522.db2.gz HMZGRODIKYEDFA-LLVKDONJSA-N -1 0 308.338 -0.046 20 0 DBADRM NC(=O)c1ccc(NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cn1 ZINC000833762348 605163096 /nfs/dbraw/zinc/16/30/96/605163096.db2.gz KPBONBNEMVLVMR-NSHDSACASA-N -1 0 322.321 -0.130 20 0 DBADRM CN(C)c1ncncc1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000828081234 605163622 /nfs/dbraw/zinc/16/36/22/605163622.db2.gz OOZGHKUQFUCLGW-UHFFFAOYSA-N -1 0 322.325 -0.697 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000833467599 605164910 /nfs/dbraw/zinc/16/49/10/605164910.db2.gz GULAQFKCBSVEHZ-VHSXEESVSA-N -1 0 321.399 -0.229 20 0 DBADRM C[C@H]1CN(C(=O)CCSCC(=O)[O-])CCN1S(C)(=O)=O ZINC000833740985 605166517 /nfs/dbraw/zinc/16/65/17/605166517.db2.gz ZTHWRPIDCJHASI-VIFPVBQESA-N -1 0 324.424 -0.313 20 0 DBADRM C[C@H]1CN(C(=O)CCCN(C)C(=O)[O-])CCN1S(C)(=O)=O ZINC000833740948 605166789 /nfs/dbraw/zinc/16/67/89/605166789.db2.gz VLQVCYPMJMPKTJ-JTQLQIEISA-N -1 0 321.399 -0.131 20 0 DBADRM Cn1[nH]cnc1=NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833759310 605168008 /nfs/dbraw/zinc/16/80/08/605168008.db2.gz DCZPLHZQAZANJQ-UHFFFAOYSA-N -1 0 300.271 -0.125 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](Cn2nnnc2CNC(=O)[O-])C1 ZINC000829683020 605175958 /nfs/dbraw/zinc/17/59/58/605175958.db2.gz LFOSKGIKWJEKIB-MRVPVSSYSA-N -1 0 318.359 -0.888 20 0 DBADRM Cc1ccn2c(=O)cc(Cn3nnnc3CNC(=O)[O-])nc2c1 ZINC000830600768 605178015 /nfs/dbraw/zinc/17/80/15/605178015.db2.gz FHRHCFVXPXXXMD-UHFFFAOYSA-N -1 0 315.293 -0.195 20 0 DBADRM CS(=O)(=O)CCN(C1CC1)S(=O)(=O)CCCC(=O)[O-] ZINC000833738102 605179557 /nfs/dbraw/zinc/17/95/57/605179557.db2.gz POCWASCFAABCFQ-UHFFFAOYSA-N -1 0 313.397 -0.310 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1scc(C(=O)[O-])c1C ZINC000833397001 605183336 /nfs/dbraw/zinc/18/33/36/605183336.db2.gz DYIGDLBHCUJNDL-UHFFFAOYSA-N -1 0 313.335 -0.054 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000832375077 605187258 /nfs/dbraw/zinc/18/72/58/605187258.db2.gz CPEOBGZGKWPWBD-BDAKNGLRSA-N -1 0 305.356 -0.385 20 0 DBADRM C[C@H](NC(=O)N[C@@H]1CCN(C(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC000825162004 605188483 /nfs/dbraw/zinc/18/84/83/605188483.db2.gz PIGVDAZWMJLFKW-AXFHLTTASA-N -1 0 300.359 -0.243 20 0 DBADRM COC1(C(=O)O[C@@H]2CCCNC2=O)CCN(C(=O)[O-])CC1 ZINC000828864196 605192179 /nfs/dbraw/zinc/19/21/79/605192179.db2.gz FCJBRMRHXGOCJF-SECBINFHSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])NCC(=O)OCC(=O)CN1C(=O)c2ccccc2C1=O ZINC000831508269 605193473 /nfs/dbraw/zinc/19/34/73/605193473.db2.gz ZGFUYCXBICLSBN-UHFFFAOYSA-N -1 0 320.257 -0.338 20 0 DBADRM C[C@@H](NC(=O)N1CCN(C(=O)[O-])CC1)[C@H]1CN(C)CCO1 ZINC000825149986 605195541 /nfs/dbraw/zinc/19/55/41/605195541.db2.gz PABOTMLZQLBUHM-GHMZBOCLSA-N -1 0 300.359 -0.289 20 0 DBADRM CC(C)[C@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)NC(N)=O ZINC000824149550 605198912 /nfs/dbraw/zinc/19/89/12/605198912.db2.gz HKFUXUWRGXHNGB-YUMQZZPRSA-N -1 0 317.298 -0.872 20 0 DBADRM C[C@H](NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)[C@H]1CN(C)CCO1 ZINC000825109156 605200958 /nfs/dbraw/zinc/20/09/58/605200958.db2.gz RSPBCWIYUYZCPR-SDDRHHMPSA-N -1 0 315.370 -0.409 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cc2ccn(C)n2)[C@H](C(=O)[O-])C1 ZINC000833709866 605203284 /nfs/dbraw/zinc/20/32/84/605203284.db2.gz NFWQUPAWAAVQEP-KOLCDFICSA-N -1 0 309.322 -0.173 20 0 DBADRM O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NCC(F)(F)F ZINC000831497216 605206885 /nfs/dbraw/zinc/20/68/85/605206885.db2.gz AKDJUUSZWKSROH-LURJTMIESA-N -1 0 314.216 -0.413 20 0 DBADRM CCOCCNC(=O)COC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827404879 605210517 /nfs/dbraw/zinc/21/05/17/605210517.db2.gz ILKGCQMNBDJGLQ-VIFPVBQESA-N -1 0 304.299 -0.939 20 0 DBADRM CC(C)C[C@H](NC(=O)CNS(=O)(=O)N(C)C(C)C)C(=O)[O-] ZINC000833493348 605211470 /nfs/dbraw/zinc/21/14/70/605211470.db2.gz XLKXXYBARGQAPE-JTQLQIEISA-N -1 0 323.415 -0.224 20 0 DBADRM CC(=O)N(C)c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000833388558 605212342 /nfs/dbraw/zinc/21/23/42/605212342.db2.gz SSMMFPRIZSKHLZ-NSHDSACASA-N -1 0 316.335 -0.607 20 0 DBADRM O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NCC1CCC1 ZINC000831497527 605213056 /nfs/dbraw/zinc/21/30/56/605213056.db2.gz DYOZTQPXIIFAJQ-JTQLQIEISA-N -1 0 300.311 -0.175 20 0 DBADRM CCCCn1nnnc1COC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000826853245 605217384 /nfs/dbraw/zinc/21/73/84/605217384.db2.gz JXZPLDGIJFPTQQ-SECBINFHSA-N -1 0 313.314 -0.105 20 0 DBADRM NC(=O)C1(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCOCC1 ZINC000831167734 605220831 /nfs/dbraw/zinc/22/08/31/605220831.db2.gz OOLBQLDPCWHVTA-LLVKDONJSA-N -1 0 303.290 -0.771 20 0 DBADRM C[C@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])[C@H]1CN(C)CCO1 ZINC000825096139 605223257 /nfs/dbraw/zinc/22/32/57/605223257.db2.gz ZGWZUNFOMNHVBA-GARJFASQSA-N -1 0 301.343 -0.800 20 0 DBADRM O=C([O-])NC1(C(=O)NC[C@H](O)CN2CCOCC2)CCCC1 ZINC000832161309 605225692 /nfs/dbraw/zinc/22/56/92/605225692.db2.gz DRPZTMCTXAKTGG-NSHDSACASA-N -1 0 315.370 -0.624 20 0 DBADRM Cn1cc(C(=O)COC(=O)C[C@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000830988012 605226799 /nfs/dbraw/zinc/22/67/99/605226799.db2.gz CFRUMKWEPLWIAN-JTQLQIEISA-N -1 0 311.294 -0.085 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CCN(C(=O)[O-])C[C@@H]2C)C1 ZINC000828705097 605231823 /nfs/dbraw/zinc/23/18/23/605231823.db2.gz QUAXBXHLLDESCC-QMMMGPOBSA-N -1 0 300.315 -0.169 20 0 DBADRM C[C@H](NC(=O)N1CC[C@H](NC(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC000825145403 605232404 /nfs/dbraw/zinc/23/24/04/605232404.db2.gz ZLKBUJYRSXIAKS-DCAQKATOSA-N -1 0 300.359 -0.243 20 0 DBADRM CC(=O)N1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000823560766 605237200 /nfs/dbraw/zinc/23/72/00/605237200.db2.gz FWFRPEIGXSWEQS-GFCCVEGCSA-N -1 0 313.354 -0.164 20 0 DBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)NCCN1CCOCC1 ZINC000831513257 605241368 /nfs/dbraw/zinc/24/13/68/605241368.db2.gz OJYUJPBUKGIURO-LBPRGKRZSA-N -1 0 315.370 -0.406 20 0 DBADRM CN(Cc1nc(C(C)(C)NC(=O)[O-])no1)CC(C)(CO)CO ZINC000828417054 605242626 /nfs/dbraw/zinc/24/26/26/605242626.db2.gz UGXDPBBQHVUUAQ-UHFFFAOYSA-N -1 0 316.358 -0.005 20 0 DBADRM COCCNC(=O)CNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000828989752 605243613 /nfs/dbraw/zinc/24/36/13/605243613.db2.gz BTNZXKVNXKEERW-JTQLQIEISA-N -1 0 317.342 -0.976 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000833397720 605252905 /nfs/dbraw/zinc/25/29/05/605252905.db2.gz XJMFJYSUXDNYBS-UHFFFAOYSA-N -1 0 322.321 -0.249 20 0 DBADRM CC(=O)NCCCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000823580325 605255777 /nfs/dbraw/zinc/25/57/77/605255777.db2.gz RSPUEFSJRYCMES-NSHDSACASA-N -1 0 301.343 -0.212 20 0 DBADRM C[C@H](NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)C(=O)N(C)C ZINC000825121270 605264185 /nfs/dbraw/zinc/26/41/85/605264185.db2.gz KOXLHKMYCOVTQA-VHSXEESVSA-N -1 0 301.343 -0.262 20 0 DBADRM COC(=O)Cn1cc([C@@H](C)OC(=O)[C@@H](C)NC(=O)[O-])nn1 ZINC000828699684 605265534 /nfs/dbraw/zinc/26/55/34/605265534.db2.gz JLVLAMFPAUEKMO-RNFRBKRXSA-N -1 0 300.271 -0.289 20 0 DBADRM COC(=O)Cn1cc([C@@H](C)OC(=O)C2(NC(=O)[O-])CC2)nn1 ZINC000828700176 605265750 /nfs/dbraw/zinc/26/57/50/605265750.db2.gz QLCXLIVVKKPBNJ-SSDOTTSWSA-N -1 0 312.282 -0.145 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@H](CO)C(=O)[O-])C1 ZINC000833435668 605267870 /nfs/dbraw/zinc/26/78/70/605267870.db2.gz QUZQEWAVQNORAL-DTWKUNHWSA-N -1 0 302.327 -0.195 20 0 DBADRM CC(C)[C@@H](C(=O)N[C@H](CO)C(=O)[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC000833621245 605268551 /nfs/dbraw/zinc/26/85/51/605268551.db2.gz JDZZDKMOQOFJFE-KKOKHZNYSA-N -1 0 302.371 -0.318 20 0 DBADRM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC000833422653 605268804 /nfs/dbraw/zinc/26/88/04/605268804.db2.gz LTSIMOOQXFTQRR-VHSXEESVSA-N -1 0 300.355 -0.025 20 0 DBADRM CCNC(=O)CN(C)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827237763 605269124 /nfs/dbraw/zinc/26/91/24/605269124.db2.gz ZSABXVLOMCPDJN-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000263229717 605274300 /nfs/dbraw/zinc/27/43/00/605274300.db2.gz BJKXJAAEAKWNBG-WPRPVWTQSA-N -1 0 301.343 -0.757 20 0 DBADRM CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC000833487534 605280377 /nfs/dbraw/zinc/28/03/77/605280377.db2.gz IYIVJHCFIWWJDH-QWRGUYRKSA-N -1 0 315.370 -0.374 20 0 DBADRM CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC000833487533 605280419 /nfs/dbraw/zinc/28/04/19/605280419.db2.gz IYIVJHCFIWWJDH-MNOVXSKESA-N -1 0 315.370 -0.374 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000833768095 605281731 /nfs/dbraw/zinc/28/17/31/605281731.db2.gz ZUCLVMKZDUDVOO-NSHDSACASA-N -1 0 321.264 -0.453 20 0 DBADRM CC(C)(C)OC(=O)NCCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000833441562 605283123 /nfs/dbraw/zinc/28/31/23/605283123.db2.gz IFASCYPPVCEZHB-BDAKNGLRSA-N -1 0 302.327 -0.052 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)c2cc(C(=O)[O-])no2)CC1 ZINC000833391783 605285087 /nfs/dbraw/zinc/28/50/87/605285087.db2.gz ULNNWQQSKQVLON-UHFFFAOYSA-N -1 0 310.310 -0.733 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000828340929 605293042 /nfs/dbraw/zinc/29/30/42/605293042.db2.gz FJIUDAMBNGRIDC-JTQLQIEISA-N -1 0 322.383 -0.352 20 0 DBADRM Nc1ccnc(CNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])n1 ZINC000831265869 605293582 /nfs/dbraw/zinc/29/35/82/605293582.db2.gz VMXYYECXDQASSL-VIFPVBQESA-N -1 0 309.326 -0.166 20 0 DBADRM CCS(=O)(=O)CCN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O ZINC000827471830 605297164 /nfs/dbraw/zinc/29/71/64/605297164.db2.gz MPIWYGCTZMWNEK-NSHDSACASA-N -1 0 319.339 -0.905 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCN3C(=O)CC[C@@H]3C2)C1 ZINC000834115032 605306534 /nfs/dbraw/zinc/30/65/34/605306534.db2.gz CLSXLIOUWGHTTD-MNOVXSKESA-N -1 0 311.338 -0.412 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCN3C(=O)CC[C@@H]3C2)C1 ZINC000834115029 605306856 /nfs/dbraw/zinc/30/68/56/605306856.db2.gz CLSXLIOUWGHTTD-GHMZBOCLSA-N -1 0 311.338 -0.412 20 0 DBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)N[C@H]1CCc2ncnn2C1 ZINC000831514128 605308331 /nfs/dbraw/zinc/30/83/31/605308331.db2.gz VPCDBOKXJZJPTO-WDEREUQCSA-N -1 0 323.353 -0.132 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000833397960 605313087 /nfs/dbraw/zinc/31/30/87/605313087.db2.gz SJWJFAXDDGFPFS-NSHDSACASA-N -1 0 323.353 -0.090 20 0 DBADRM O=C([O-])N1CCN(CC(=O)Nc2ccc3nncn3c2)C(=O)C1 ZINC000834004745 605314005 /nfs/dbraw/zinc/31/40/05/605314005.db2.gz FWEBMRCBMASHKQ-UHFFFAOYSA-N -1 0 318.293 -0.510 20 0 DBADRM Cn1c(=O)cc(COC(=O)C=C2CN(C(=O)[O-])C2)n(C)c1=O ZINC000833941964 605314309 /nfs/dbraw/zinc/31/43/09/605314309.db2.gz IWRSNFKLJUAQER-UHFFFAOYSA-N -1 0 309.278 -0.953 20 0 DBADRM O=C([O-])N1CC(OCCC(=O)N2CCC[C@H](OCCO)C2)C1 ZINC000834075306 605315241 /nfs/dbraw/zinc/31/52/41/605315241.db2.gz WUZFKAWCTBVHAN-NSHDSACASA-N -1 0 316.354 -0.245 20 0 DBADRM O=C([O-])N1CCCN1C(=O)COCC(=O)NCc1cccnc1 ZINC000834010872 605316589 /nfs/dbraw/zinc/31/65/89/605316589.db2.gz KAEWOURNHMMXRM-UHFFFAOYSA-N -1 0 322.321 -0.158 20 0 DBADRM Cn1cncc1[C@@H]1CC(=O)N(CN2CCN(C(=O)[O-])CC2)C1 ZINC000833959059 605319242 /nfs/dbraw/zinc/31/92/42/605319242.db2.gz NNMQAMKJSNOLCH-LLVKDONJSA-N -1 0 307.354 -0.011 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCNC1=O ZINC000824305113 605319206 /nfs/dbraw/zinc/31/92/06/605319206.db2.gz OSLLHCWRMVWIAQ-QMMMGPOBSA-N -1 0 301.299 -0.236 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@H]1COc2ccccc2O1 ZINC000834196654 605334841 /nfs/dbraw/zinc/33/48/41/605334841.db2.gz PILYSDCCLPJWDB-VIFPVBQESA-N -1 0 323.305 -0.674 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1nnc2n1CCCCC2 ZINC000834199284 605339339 /nfs/dbraw/zinc/33/93/39/605339339.db2.gz XBKWQRHFWSJNKT-UHFFFAOYSA-N -1 0 324.341 -0.996 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC1CCN(CC(F)F)CC1 ZINC000834195247 605340122 /nfs/dbraw/zinc/34/01/22/605340122.db2.gz BMIVMHLNJWUTLM-UHFFFAOYSA-N -1 0 322.312 -0.784 20 0 DBADRM Cn1c(N2CCC[C@@H]2CNC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000830978512 605341031 /nfs/dbraw/zinc/34/10/31/605341031.db2.gz HHCIAEINJATPTI-SSDOTTSWSA-N -1 0 322.325 -0.391 20 0 DBADRM Cn1c(=O)oc2ccc(NC(=O)CNC(=O)CNC(=O)[O-])cc21 ZINC000833940815 605341830 /nfs/dbraw/zinc/34/18/30/605341830.db2.gz SEAWXACRKWYMDG-UHFFFAOYSA-N -1 0 322.277 -0.546 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCC(=O)Nc1ccccc1 ZINC000834196655 605348486 /nfs/dbraw/zinc/34/84/86/605348486.db2.gz PJPFLAAOIDARPH-UHFFFAOYSA-N -1 0 322.321 -0.485 20 0 DBADRM CC(C)(C)NC(=O)CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O ZINC000823773387 605348576 /nfs/dbraw/zinc/34/85/76/605348576.db2.gz TZJBMBOSIGXBOD-CYBMUJFWSA-N -1 0 312.326 -0.425 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCc2ccccc2CC1 ZINC000834196199 605349041 /nfs/dbraw/zinc/34/90/41/605349041.db2.gz IEYFXFFFROCSBP-UHFFFAOYSA-N -1 0 305.334 -0.002 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cnn(-c2ccccn2)c1 ZINC000834199023 605349375 /nfs/dbraw/zinc/34/93/75/605349375.db2.gz PMHZNLVXXXAMQT-UHFFFAOYSA-N -1 0 318.293 -0.410 20 0 DBADRM O=C(CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O)NCC1CCC1 ZINC000831478701 605349868 /nfs/dbraw/zinc/34/98/68/605349868.db2.gz DOONFDVBKSIIAC-CQSZACIVSA-N -1 0 324.337 -0.423 20 0 DBADRM O=C([O-])N1CC[C@@]2(C1)NC(=O)N(CC(=O)N1CCCCC1)C2=O ZINC000831969681 605352271 /nfs/dbraw/zinc/35/22/71/605352271.db2.gz RJCKKPCTNMBQKG-AWEZNQCLSA-N -1 0 324.337 -0.327 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000834192043 605352485 /nfs/dbraw/zinc/35/24/85/605352485.db2.gz AGQKEJVJMUBFSA-LLVKDONJSA-N -1 0 322.321 -0.555 20 0 DBADRM O=C([O-])N1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC000832024184 605352921 /nfs/dbraw/zinc/35/29/21/605352921.db2.gz HTJHYNWEJZDPPL-UHFFFAOYSA-N -1 0 309.326 -0.797 20 0 DBADRM CCN(C1CN(C(=O)[O-])C1)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000826992862 605356470 /nfs/dbraw/zinc/35/64/70/605356470.db2.gz WAAYJIPZQNSFOJ-QMMMGPOBSA-N -1 0 308.356 -0.191 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N(CC)C1CN(C(=O)[O-])C1 ZINC000827305193 605356961 /nfs/dbraw/zinc/35/69/61/605356961.db2.gz DMXPYHQGNNRZDK-UHFFFAOYSA-N -1 0 308.356 -0.047 20 0 DBADRM O=C([O-])NCCCNS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000834237208 605369034 /nfs/dbraw/zinc/36/90/34/605369034.db2.gz HFHSYSOKBVSBFP-UHFFFAOYSA-N -1 0 323.371 -0.683 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@H]1OCCc2ccccc21 ZINC000834195923 605369763 /nfs/dbraw/zinc/36/97/63/605369763.db2.gz FWEUJAJELFGKCZ-GFCCVEGCSA-N -1 0 321.333 -0.200 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000834198455 605370672 /nfs/dbraw/zinc/37/06/72/605370672.db2.gz JNTFSFYVJCSPKX-UHFFFAOYSA-N -1 0 322.277 -0.660 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000834193385 605372236 /nfs/dbraw/zinc/37/22/36/605372236.db2.gz FTMGHIIDQLPFHS-ZCFIWIBFSA-N -1 0 313.232 -0.840 20 0 DBADRM CN(C)c1nc(COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])ns1 ZINC000828077021 605372343 /nfs/dbraw/zinc/37/23/43/605372343.db2.gz IPANKWLVDVTJHS-NKWVEPMBSA-N -1 0 316.339 -0.240 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000834195024 605374918 /nfs/dbraw/zinc/37/49/18/605374918.db2.gz QWDIVXSDQTXXQM-YGRLFVJLSA-N -1 0 313.354 -0.476 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccc2c(c1)COC2 ZINC000834195891 605375058 /nfs/dbraw/zinc/37/50/58/605375058.db2.gz FQOIRHIPFWWZCM-UHFFFAOYSA-N -1 0 307.306 -0.283 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CC[C@](F)(C(=O)[O-])C1 ZINC000833434212 605376322 /nfs/dbraw/zinc/37/63/22/605376322.db2.gz RGAYRLYWZWCFQO-CYBMUJFWSA-N -1 0 304.318 -0.057 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000834193719 605376505 /nfs/dbraw/zinc/37/65/05/605376505.db2.gz IRXQZWJEYNEBGJ-SECBINFHSA-N -1 0 309.326 -0.153 20 0 DBADRM CCOC(=O)[C@@H](C)OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739467705 605381094 /nfs/dbraw/zinc/38/10/94/605381094.db2.gz FRFLQRCWCXTINZ-MRVPVSSYSA-N -1 0 302.283 -0.697 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)c1ccccc1F ZINC000834197856 605383281 /nfs/dbraw/zinc/38/32/81/605383281.db2.gz BPIPJJTWPISHQH-UHFFFAOYSA-N -1 0 312.253 -0.065 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OCc1nccn1C(F)F ZINC000834199654 605383795 /nfs/dbraw/zinc/38/37/95/605383795.db2.gz HDJCNODIZDNGAU-UHFFFAOYSA-N -1 0 306.225 -0.295 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)O[C@H]1Cc2ccccc2C1=O ZINC000834198621 605384452 /nfs/dbraw/zinc/38/44/52/605384452.db2.gz LGSYLBBTAYGWEA-JTQLQIEISA-N -1 0 306.274 -0.279 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OCc1ccc2c(c1)OCCO2 ZINC000834199113 605384802 /nfs/dbraw/zinc/38/48/02/605384802.db2.gz RPWZJBAWWLECJJ-UHFFFAOYSA-N -1 0 324.289 -0.115 20 0 DBADRM NC(=O)C1CCN(S(=O)(=O)C2CCN(C(=O)[O-])CC2)CC1 ZINC000833979132 605388196 /nfs/dbraw/zinc/38/81/96/605388196.db2.gz CPQBPHMRRIPSGA-UHFFFAOYSA-N -1 0 319.383 -0.344 20 0 DBADRM O=C([O-])N1CC[C@@H](CNC(=O)NCCN2C(=O)CCC2=O)C1 ZINC000834041607 605388370 /nfs/dbraw/zinc/38/83/70/605388370.db2.gz LKOQWLOOHSPMOR-VIFPVBQESA-N -1 0 312.326 -0.566 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@H]1CSCCS1 ZINC000834196665 605388727 /nfs/dbraw/zinc/38/87/27/605388727.db2.gz PRLSBOYXXNENSM-ZETCQYMHSA-N -1 0 307.397 -0.665 20 0 DBADRM Cn1c(CNC(=O)[C@H](CC(N)=O)NC(=O)[O-])nc2ccccc21 ZINC000833941313 605391916 /nfs/dbraw/zinc/39/19/16/605391916.db2.gz KTSIBIGUBRDDKU-VIFPVBQESA-N -1 0 319.321 -0.299 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000831284308 605393871 /nfs/dbraw/zinc/39/38/71/605393871.db2.gz UYMLFRJANKLENM-WDEREUQCSA-N -1 0 315.395 -0.028 20 0 DBADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NCCn1ncnn1 ZINC000829611582 605399079 /nfs/dbraw/zinc/39/90/79/605399079.db2.gz PPIVWXHETXQGCN-LLVKDONJSA-N -1 0 320.309 -0.193 20 0 DBADRM O=C([O-])NC[C@H](C(=O)NCCn1ncnn1)c1ccccc1 ZINC000832406823 605401681 /nfs/dbraw/zinc/40/16/81/605401681.db2.gz AZLWHLJXMXLOEX-NSHDSACASA-N -1 0 304.310 -0.159 20 0 DBADRM O=C([O-])N(CC(=O)NCCCn1ccnn1)C[C@H]1CCCO1 ZINC000834006581 605402883 /nfs/dbraw/zinc/40/28/83/605402883.db2.gz MBHKHKJWCVOMIT-LLVKDONJSA-N -1 0 311.342 -0.057 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NCC[C@H]1CCCO1 ZINC000833893662 605406205 /nfs/dbraw/zinc/40/62/05/605406205.db2.gz CNZWLTDFLLQBDE-ZJUUUORDSA-N -1 0 322.383 -0.257 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NC[C@@H](O)CN2CCOCC2)C1 ZINC000834170541 605408739 /nfs/dbraw/zinc/40/87/39/605408739.db2.gz PSCQIFKLHOVMBJ-IJLUTSLNSA-N -1 0 315.370 -0.768 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cc(C(N)=O)ccc1F ZINC000833983130 605411457 /nfs/dbraw/zinc/41/14/57/605411457.db2.gz RWRJHBPSNRMCBO-MRVPVSSYSA-N -1 0 312.257 -0.625 20 0 DBADRM COCCN(CCNC(=O)NCc1nc(C)no1)C(=O)[O-] ZINC000833885463 605414025 /nfs/dbraw/zinc/41/40/25/605414025.db2.gz GIDZOFQZMCXVQE-UHFFFAOYSA-N -1 0 301.303 -0.196 20 0 DBADRM C[C@H]1CN(C(=O)CNC(=O)[O-])CCN1c1nccn2cnnc12 ZINC000825983607 605415929 /nfs/dbraw/zinc/41/59/29/605415929.db2.gz LTLIOGRLHOUFII-VIFPVBQESA-N -1 0 319.325 -0.571 20 0 DBADRM Cc1nnc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-])s1 ZINC000833925689 605421182 /nfs/dbraw/zinc/42/11/82/605421182.db2.gz HQBKABKJRGGLEA-LURJTMIESA-N -1 0 322.368 -0.144 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@H]1CCN(C(=O)[O-])C1 ZINC000833879511 605424929 /nfs/dbraw/zinc/42/49/29/605424929.db2.gz OWJOZCYTSYVNJX-SECBINFHSA-N -1 0 323.371 -0.684 20 0 DBADRM COCCc1cc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)n(C)n1 ZINC000829024465 605425045 /nfs/dbraw/zinc/42/50/45/605425045.db2.gz SJLLENGGFMEFPN-SNVBAGLBSA-N -1 0 312.326 -0.074 20 0 DBADRM COCCc1cc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)n(C)n1 ZINC000829024464 605425167 /nfs/dbraw/zinc/42/51/67/605425167.db2.gz SJLLENGGFMEFPN-JTQLQIEISA-N -1 0 312.326 -0.074 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NCCn1cccc1 ZINC000833895848 605434273 /nfs/dbraw/zinc/43/42/73/605434273.db2.gz XCXRWTJMTBWIMI-JTQLQIEISA-N -1 0 317.367 -0.325 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(CNC(N)=O)cc1 ZINC000833984149 605435282 /nfs/dbraw/zinc/43/52/82/605435282.db2.gz NFRLTBBKVSAGJZ-SECBINFHSA-N -1 0 323.309 -0.695 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)[C@@H]2CSCN2C(=O)[O-])cn1 ZINC000833947474 605437579 /nfs/dbraw/zinc/43/75/79/605437579.db2.gz SJJBLBWFVOENFO-BDAKNGLRSA-N -1 0 300.340 -0.377 20 0 DBADRM O=C([O-])N[C@@H](C(=O)N1CCN(C(=O)CO)CC1)c1ccccc1 ZINC000834251783 605437895 /nfs/dbraw/zinc/43/78/95/605437895.db2.gz UDBDUUQNBGTKCE-CYBMUJFWSA-N -1 0 321.333 -0.342 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCC[C@@H](OCCO)C1 ZINC000831284251 605440255 /nfs/dbraw/zinc/44/02/55/605440255.db2.gz ULMGTGYXJJPIEQ-GHMZBOCLSA-N -1 0 302.327 -0.635 20 0 DBADRM O=C([O-])N1CCC(=O)[C@H](OC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC000834285696 605440321 /nfs/dbraw/zinc/44/03/21/605440321.db2.gz VRKFMGMSPYIGKM-SECBINFHSA-N -1 0 320.261 -0.087 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCCC[C@H]1O ZINC000833895161 605441366 /nfs/dbraw/zinc/44/13/66/605441366.db2.gz QIDSRVSIQQZOHC-LPEHRKFASA-N -1 0 322.383 -0.523 20 0 DBADRM COCCN(CCNC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000833885382 605443785 /nfs/dbraw/zinc/44/37/85/605443785.db2.gz DGUWUGIVCZBRQJ-VIFPVBQESA-N -1 0 323.371 -0.901 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000826108344 605446037 /nfs/dbraw/zinc/44/60/37/605446037.db2.gz GADGCVNVSBCGLA-LKEWCRSYSA-N -1 0 313.310 -0.589 20 0 DBADRM C[C@]1(CCCC(=O)N2CCN(C(=O)[O-])CC2)NC(=O)NC1=O ZINC000825743509 605447232 /nfs/dbraw/zinc/44/72/32/605447232.db2.gz AEWGPQDOYCKDFV-CYBMUJFWSA-N -1 0 312.326 -0.423 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCC(=O)NC1=O ZINC000829731464 605447298 /nfs/dbraw/zinc/44/72/98/605447298.db2.gz RAOQBLOFOPFBRN-NKWVEPMBSA-N -1 0 303.340 -0.703 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)CCC[C@]1(C)NC(=O)NC1=O ZINC000823978881 605449544 /nfs/dbraw/zinc/44/95/44/605449544.db2.gz LADFAQKJKXTWNP-ZDUSSCGKSA-N -1 0 314.342 -0.083 20 0 DBADRM O=C([O-])N1CCC(NC(=O)N2CCCS(=O)(=O)CC2)CC1 ZINC000834085492 605452841 /nfs/dbraw/zinc/45/28/41/605452841.db2.gz SEWFJRYQYINWMD-UHFFFAOYSA-N -1 0 319.383 -0.041 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(c2ccc(C(=O)NCCO)nn2)C1 ZINC000827822896 605456348 /nfs/dbraw/zinc/45/63/48/605456348.db2.gz PIEQTJMRRGOUCW-SNVBAGLBSA-N -1 0 323.353 -0.223 20 0 DBADRM C[C@H]1CN(c2ccc(C(=O)NCCO)nn2)CC[C@@H]1NC(=O)[O-] ZINC000826082470 605460885 /nfs/dbraw/zinc/46/08/85/605460885.db2.gz PUBULBGIOQFTEY-UWVGGRQHSA-N -1 0 323.353 -0.319 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)CC[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000833985948 605467199 /nfs/dbraw/zinc/46/71/99/605467199.db2.gz BYXAATDGUILGSX-VHSXEESVSA-N -1 0 319.383 -0.344 20 0 DBADRM Cn1cnn(CC(=O)N2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)c1=O ZINC000833956753 605470624 /nfs/dbraw/zinc/47/06/24/605470624.db2.gz PBZFWTQJXPVPFV-GARJFASQSA-N -1 0 323.353 -0.524 20 0 DBADRM O=C([O-])N1CC[C@]2(C1)NC(=O)N(CC1(O)CCOCC1)C2=O ZINC000831969216 605470682 /nfs/dbraw/zinc/47/06/82/605470682.db2.gz JSZCPNTTZCMJRJ-CYBMUJFWSA-N -1 0 313.310 -0.798 20 0 DBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1c1ccc(C(=O)NCCO)nn1 ZINC000825846409 605486113 /nfs/dbraw/zinc/48/61/13/605486113.db2.gz UOTUOERHJWXNFQ-VHSXEESVSA-N -1 0 323.353 -0.176 20 0 DBADRM C[C@@H](C(=O)N1CCCC1)N1CC[NH+](C[C@](C)(O)C(=O)[O-])CC1 ZINC000833403006 605498135 /nfs/dbraw/zinc/49/81/35/605498135.db2.gz CCEBKYMJGWEBJO-WFASDCNBSA-N -1 0 313.398 -0.550 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CCN(c2ccc(C(=O)NCCO)nn2)C1 ZINC000833818580 605498699 /nfs/dbraw/zinc/49/86/99/605498699.db2.gz QDCIMUOODMVAAR-UWVGGRQHSA-N -1 0 323.353 -0.319 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000833434022 605508034 /nfs/dbraw/zinc/50/80/34/605508034.db2.gz NRETZAPGFKAUOP-JGVFFNPUSA-N -1 0 301.295 -0.292 20 0 DBADRM CN(CCN(C)S(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000833874038 605509513 /nfs/dbraw/zinc/50/95/13/605509513.db2.gz WKPUIGSRINFRLW-UHFFFAOYSA-N -1 0 318.355 -0.646 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000833883621 605520989 /nfs/dbraw/zinc/52/09/89/605520989.db2.gz NWIUFNUACUKDEW-NXEZZACHSA-N -1 0 309.388 -0.213 20 0 DBADRM O=C([O-])NCCC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000832599586 605534179 /nfs/dbraw/zinc/53/41/79/605534179.db2.gz VBLDXAOIACHPHY-UHFFFAOYSA-N -1 0 316.339 -0.866 20 0 DBADRM C[C@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)c1cnn(C)c1 ZINC000833402342 605536657 /nfs/dbraw/zinc/53/66/57/605536657.db2.gz JQHXLUAXTHVHFA-QMMMGPOBSA-N -1 0 304.310 -0.103 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC000320771886 605541069 /nfs/dbraw/zinc/54/10/69/605541069.db2.gz LAFRIACKYSIHMU-JTQLQIEISA-N -1 0 321.337 -0.382 20 0 DBADRM COCCN(CC(=O)N1CCSC[C@@H]1CCO)C(=O)[O-] ZINC000833884348 605543167 /nfs/dbraw/zinc/54/31/67/605543167.db2.gz JLFWLIIDXRUHGX-JTQLQIEISA-N -1 0 306.384 -0.061 20 0 DBADRM Cn1ncc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])c1C(F)F ZINC000833960554 605543643 /nfs/dbraw/zinc/54/36/43/605543643.db2.gz CRFRJZBLLVMCFE-BYPYZUCNSA-N -1 0 305.241 -0.192 20 0 DBADRM CN(CCN(C)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-] ZINC000833873289 605547469 /nfs/dbraw/zinc/54/74/69/605547469.db2.gz VAVRUVPHSYZTHR-UHFFFAOYSA-N -1 0 320.305 -0.102 20 0 DBADRM O=C([O-])N1CCCC[C@H]1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000834290203 605547656 /nfs/dbraw/zinc/54/76/56/605547656.db2.gz QFWWMBSWFIYCCW-IUCAKERBSA-N -1 0 310.310 -0.719 20 0 DBADRM O=C([O-])N1CC[C@H](N(C2CC2)S(=O)(=O)N2CCOCC2)C1 ZINC000831942594 605548472 /nfs/dbraw/zinc/54/84/72/605548472.db2.gz UCDKCOKOISKYQN-NSHDSACASA-N -1 0 319.383 -0.220 20 0 DBADRM COCC1(O)CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000833882722 605548936 /nfs/dbraw/zinc/54/89/36/605548936.db2.gz WQIFCXRYYHQPHF-LLVKDONJSA-N -1 0 316.354 -0.245 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000833863056 605554792 /nfs/dbraw/zinc/55/47/92/605554792.db2.gz GDKVPQSKYJWIFQ-VIFPVBQESA-N -1 0 308.356 -0.742 20 0 DBADRM CNC(=O)c1cccc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])c1 ZINC000833877839 605556436 /nfs/dbraw/zinc/55/64/36/605556436.db2.gz SYBWSAHQWHJJCF-VIFPVBQESA-N -1 0 308.294 -0.504 20 0 DBADRM CN(C(=O)C[C@@H]1CSCCN1C(=O)[O-])[C@H]1CCNC1=O ZINC000833870339 605556506 /nfs/dbraw/zinc/55/65/06/605556506.db2.gz YVJKXBKPSLTVOP-BDAKNGLRSA-N -1 0 301.368 -0.181 20 0 DBADRM CNC(=O)c1cccc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])c1 ZINC000833877838 605556661 /nfs/dbraw/zinc/55/66/61/605556661.db2.gz SYBWSAHQWHJJCF-SECBINFHSA-N -1 0 308.294 -0.504 20 0 DBADRM Cn1ccc(N2CCC[C@H](NC(=O)C3CN(C(=O)[O-])C3)C2=O)n1 ZINC000833952570 605558453 /nfs/dbraw/zinc/55/84/53/605558453.db2.gz JFQSKELMCVOPRX-JTQLQIEISA-N -1 0 321.337 -0.359 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)NCCC(=O)N1CCOCC1 ZINC000823986470 605561471 /nfs/dbraw/zinc/56/14/71/605561471.db2.gz PZJKGSHGQLQZJE-UHFFFAOYSA-N -1 0 316.358 -0.419 20 0 DBADRM O=C([O-])N1CC(C(=O)NC[C@@H]2COC3(CCOCC3)O2)C1 ZINC000834039075 605568928 /nfs/dbraw/zinc/56/89/28/605568928.db2.gz WTXUKJWRBSQPNR-SNVBAGLBSA-N -1 0 300.311 -0.366 20 0 DBADRM O=C([O-])N1CC[C@H](CNC(=O)CNC(=O)c2cccnc2)C1 ZINC000834004436 605581987 /nfs/dbraw/zinc/58/19/87/605581987.db2.gz AXYUTRPDPFUOHW-SNVBAGLBSA-N -1 0 306.322 -0.073 20 0 DBADRM NC(=O)[C@@H]1CCCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000831178649 605583137 /nfs/dbraw/zinc/58/31/37/605583137.db2.gz KOKCQYXVSKAQRK-GHMZBOCLSA-N -1 0 313.354 -0.131 20 0 DBADRM O=C([O-])N1CC[C@H](N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000834014329 605584004 /nfs/dbraw/zinc/58/40/04/605584004.db2.gz AYYOXAYYTIWWJY-NSHDSACASA-N -1 0 310.354 -0.839 20 0 DBADRM O=C([O-])N1CC[C@H](N2CCN(CCN3CCNC3=O)CC2)C1 ZINC000834085739 605584587 /nfs/dbraw/zinc/58/45/87/605584587.db2.gz UDZBMUNDEVJTEU-LBPRGKRZSA-N -1 0 311.386 -0.619 20 0 DBADRM NC(=O)CNC(=O)c1cccc(OC(=O)C2CN(C(=O)[O-])C2)c1 ZINC000833984652 605591891 /nfs/dbraw/zinc/59/18/91/605591891.db2.gz HYUOUNKNNVBAQL-UHFFFAOYSA-N -1 0 321.289 -0.583 20 0 DBADRM O=C([O-])NCCN(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000834240570 605606118 /nfs/dbraw/zinc/60/61/18/605606118.db2.gz VEJHEMBHICSWCD-GHMZBOCLSA-N -1 0 306.384 -0.078 20 0 DBADRM C[C@@H](O)[C@H]1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000167701246 605613035 /nfs/dbraw/zinc/61/30/35/605613035.db2.gz VDEAOFHJLXCARD-BDAKNGLRSA-N -1 0 303.340 -0.641 20 0 DBADRM C[C@H](O)[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000167692919 605613049 /nfs/dbraw/zinc/61/30/49/605613049.db2.gz FFDUYPFBUBBPFZ-GXSJLCMTSA-N -1 0 306.384 -0.270 20 0 DBADRM COC(=O)[C@@H]1CCCN1C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000828630413 605616259 /nfs/dbraw/zinc/61/62/59/605616259.db2.gz GRZOPROTMMKENK-NSHDSACASA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCOC[C@H]2C2CC2)C(=O)C1 ZINC000834112931 605617589 /nfs/dbraw/zinc/61/75/89/605617589.db2.gz ISDHKQJKZNKVFL-NSHDSACASA-N -1 0 311.338 -0.554 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NC(C)(C)CNC(=O)[O-] ZINC000827264880 605618765 /nfs/dbraw/zinc/61/87/65/605618765.db2.gz FJJJOZFYGVNVCL-UHFFFAOYSA-N -1 0 310.376 -0.729 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000833955031 605623592 /nfs/dbraw/zinc/62/35/92/605623592.db2.gz CUOSGOZVTDTEEN-LLVKDONJSA-N -1 0 323.353 -0.553 20 0 DBADRM O=C([O-])N[C@@H](CC(=O)NCC(=O)NCCO)c1ccccc1 ZINC000834125492 605624221 /nfs/dbraw/zinc/62/42/21/605624221.db2.gz QCBWXGFXZXUQNP-NSHDSACASA-N -1 0 309.322 -0.390 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000827480907 605628034 /nfs/dbraw/zinc/62/80/34/605628034.db2.gz QNVMLWFHIBKXRX-VIFPVBQESA-N -1 0 309.388 -0.276 20 0 DBADRM O=C([O-])N[C@H](CC(=O)NCCC(=O)N1CCOCC1)C1CC1 ZINC000834126092 605629050 /nfs/dbraw/zinc/62/90/50/605629050.db2.gz ZISQVPRWNLFZRJ-LLVKDONJSA-N -1 0 313.354 -0.212 20 0 DBADRM Cn1nccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000833964350 605635422 /nfs/dbraw/zinc/63/54/22/605635422.db2.gz XNHBFWNMQJMEKW-DTWKUNHWSA-N -1 0 309.326 -0.089 20 0 DBADRM NC(=O)C1(CNC(=O)C[C@H](NC(=O)[O-])C2CC2)CCOCC1 ZINC000833980238 605638392 /nfs/dbraw/zinc/63/83/92/605638392.db2.gz IDYUJFSHDADVSD-JTQLQIEISA-N -1 0 313.354 -0.179 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)OCCN2CCOCC2=O)cn1 ZINC000834278574 605641873 /nfs/dbraw/zinc/64/18/73/605641873.db2.gz NHTOUDBIGBVKKY-UHFFFAOYSA-N -1 0 310.266 -0.418 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)OCCN1CCOCC1=O ZINC000833988065 605643063 /nfs/dbraw/zinc/64/30/63/605643063.db2.gz LRBFUZNKPBEWAB-SNVBAGLBSA-N -1 0 316.310 -0.843 20 0 DBADRM CC(C)(CNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)C(N)=O ZINC000823912571 605644290 /nfs/dbraw/zinc/64/42/90/605644290.db2.gz PTGZLMKRIKFSQS-SECBINFHSA-N -1 0 301.343 -0.227 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000739413522 605645840 /nfs/dbraw/zinc/64/58/40/605645840.db2.gz CNVKMBKFOJSGGP-UWVGGRQHSA-N -1 0 319.383 -0.137 20 0 DBADRM Cn1cc(CN2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)nn1 ZINC000833948186 605647436 /nfs/dbraw/zinc/64/74/36/605647436.db2.gz GZVZADCMGYUVMS-JTQLQIEISA-N -1 0 310.358 -0.589 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CN3CCN2CC3)C1 ZINC000834166368 605652129 /nfs/dbraw/zinc/65/21/29/605652129.db2.gz DXNMRLAQBCFDEE-UPJWGTAASA-N -1 0 310.398 -0.071 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC000833664932 605656288 /nfs/dbraw/zinc/65/62/88/605656288.db2.gz HLEHPVGFYPFQIV-RKDXNWHRSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN1CCCC1=O ZINC000833704986 605656424 /nfs/dbraw/zinc/65/64/24/605656424.db2.gz IXIIXLCZDLDTSF-VHSXEESVSA-N -1 0 312.322 -0.526 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CN2CCCC2=O)[C@@H](C(=O)[O-])C1 ZINC000833708877 605657275 /nfs/dbraw/zinc/65/72/75/605657275.db2.gz KHCUQBMIWYHZBB-VHSXEESVSA-N -1 0 312.322 -0.526 20 0 DBADRM O=C([O-])N1CCCC[C@H]1CNC(=O)NCC1(CO)COC1 ZINC000834027537 605659382 /nfs/dbraw/zinc/65/93/82/605659382.db2.gz WCEKENZHNKAVRK-JTQLQIEISA-N -1 0 301.343 -0.173 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NCC1(CO)COC1 ZINC000834213533 605659781 /nfs/dbraw/zinc/65/97/81/605659781.db2.gz YMLFSWSBGPCBOC-VHSXEESVSA-N -1 0 301.343 -0.269 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1cn2ccsc2n1 ZINC000833982316 605667263 /nfs/dbraw/zinc/66/72/63/605667263.db2.gz LKAGFMQEQCSMCR-SSDOTTSWSA-N -1 0 311.323 -0.476 20 0 DBADRM NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833979082 605667630 /nfs/dbraw/zinc/66/76/30/605667630.db2.gz BXCLCXGBYLBACC-UWVGGRQHSA-N -1 0 311.338 -0.521 20 0 DBADRM NC(=O)COc1ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])cc1 ZINC000833985748 605667960 /nfs/dbraw/zinc/66/79/60/605667960.db2.gz VKVGCKSTMUBVME-SECBINFHSA-N -1 0 324.293 -0.999 20 0 DBADRM CN(CC(=O)N1CCO[C@H](CN(C)c2cccnn2)C1)C(=O)[O-] ZINC000828096103 605682504 /nfs/dbraw/zinc/68/25/04/605682504.db2.gz WLYLAOMDNRVCHH-LLVKDONJSA-N -1 0 323.353 -0.250 20 0 DBADRM CN(CC(=O)N1CCO[C@@H](CN(C)c2cccnn2)C1)C(=O)[O-] ZINC000828096104 605682614 /nfs/dbraw/zinc/68/26/14/605682614.db2.gz WLYLAOMDNRVCHH-NSHDSACASA-N -1 0 323.353 -0.250 20 0 DBADRM CN(C[C@H]1CN(C(=O)CNC(=O)[O-])CCO1)c1cccnn1 ZINC000828266735 605683306 /nfs/dbraw/zinc/68/33/06/605683306.db2.gz IPJHJPFOHPDREB-JTQLQIEISA-N -1 0 309.326 -0.592 20 0 DBADRM CN(C[C@H]1CN(C(=O)CCNC(=O)[O-])CCO1)c1cccnn1 ZINC000828267196 605683394 /nfs/dbraw/zinc/68/33/94/605683394.db2.gz QVOJLSVXKCLUFI-NSHDSACASA-N -1 0 323.353 -0.202 20 0 DBADRM Cn1cnn(CC(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)c1=O ZINC000833956367 605690258 /nfs/dbraw/zinc/69/02/58/605690258.db2.gz LUQJVNUZQJASHV-SNVBAGLBSA-N -1 0 311.342 -0.522 20 0 DBADRM COCCN(CC(=O)N(C)CCNC(=O)N(C)C)C(=O)[O-] ZINC000833883742 605698588 /nfs/dbraw/zinc/69/85/88/605698588.db2.gz RASVUGLDCMLYOP-UHFFFAOYSA-N -1 0 304.347 -0.658 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1c1noc(CN2CC(=O)NC2=O)n1 ZINC000834289688 605702233 /nfs/dbraw/zinc/70/22/33/605702233.db2.gz OCWDKAJZMXYSIT-ZCFIWIBFSA-N -1 0 311.254 -0.827 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC000739355430 605703131 /nfs/dbraw/zinc/70/31/31/605703131.db2.gz KEYHWIJLWROAPU-VIFPVBQESA-N -1 0 304.310 -0.075 20 0 DBADRM O=C(CN1CCCS1(=O)=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000739286301 605704147 /nfs/dbraw/zinc/70/41/47/605704147.db2.gz UEPLNWNRKPLUBG-VIFPVBQESA-N -1 0 305.356 -0.720 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000823845987 605708862 /nfs/dbraw/zinc/70/88/62/605708862.db2.gz DNGAMPPSEBEXJO-SECBINFHSA-N -1 0 314.342 -0.273 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N[C@H]2CCCN(C(=O)[O-])C2)n1C ZINC000830887383 605709546 /nfs/dbraw/zinc/70/95/46/605709546.db2.gz JKVPAXNPEZSGLH-NSHDSACASA-N -1 0 324.385 -0.186 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C)n1C ZINC000830887624 605713413 /nfs/dbraw/zinc/71/34/13/605713413.db2.gz OZUGDIMUJJGJEV-JTQLQIEISA-N -1 0 324.385 -0.234 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@H]2CCCN(C(=O)[O-])C2)S1 ZINC000831240020 605716906 /nfs/dbraw/zinc/71/69/06/605716906.db2.gz LLQFXESBRWRUCH-NKWVEPMBSA-N -1 0 300.340 -0.199 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N[C@@H](CO)CC(F)(F)F ZINC000834014642 605723529 /nfs/dbraw/zinc/72/35/29/605723529.db2.gz MDXCGGJAYNULLC-RNFRBKRXSA-N -1 0 300.233 -0.205 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N[C@H](CO)CC(F)(F)F ZINC000834014641 605723619 /nfs/dbraw/zinc/72/36/19/605723619.db2.gz MDXCGGJAYNULLC-NKWVEPMBSA-N -1 0 300.233 -0.205 20 0 DBADRM Cn1cc(S(=O)(=O)NCC2CN(C(=O)[O-])C2)cc1C(N)=O ZINC000833950941 605726090 /nfs/dbraw/zinc/72/60/90/605726090.db2.gz MOKBJAQDWKUTBZ-UHFFFAOYSA-N -1 0 316.339 -0.988 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NCCCN2C(=O)CCC2=O)C1 ZINC000834040811 605734804 /nfs/dbraw/zinc/73/48/04/605734804.db2.gz UBFRXZRHSPHDNB-UHFFFAOYSA-N -1 0 312.326 -0.566 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000834030147 605735912 /nfs/dbraw/zinc/73/59/12/605735912.db2.gz IBRVPTBYVOUUKD-UHFFFAOYSA-N -1 0 319.383 -0.280 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CN1CCCS1(=O)=O ZINC000825810283 605737439 /nfs/dbraw/zinc/73/74/39/605737439.db2.gz UGAOVXXHGFFHHS-UWVGGRQHSA-N -1 0 319.383 -0.331 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)NCC1CN(C(=O)[O-])C1 ZINC000833836451 605741388 /nfs/dbraw/zinc/74/13/88/605741388.db2.gz BBRAATIXYWYXFZ-QMMMGPOBSA-N -1 0 305.356 -0.575 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCC2(CO)CCOCC2)C1 ZINC000834023354 605743449 /nfs/dbraw/zinc/74/34/49/605743449.db2.gz YESGSRIYMDNRJS-SNVBAGLBSA-N -1 0 302.327 -0.730 20 0 DBADRM NC(=O)C1(NC(=O)C[C@H]2CSCCN2C(=O)[O-])CCC1 ZINC000833980712 605745893 /nfs/dbraw/zinc/74/58/93/605745893.db2.gz LUHDDEKDKNOFCH-QMMMGPOBSA-N -1 0 301.368 -0.004 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000263304461 605747296 /nfs/dbraw/zinc/74/72/96/605747296.db2.gz XNAZBWOYTBJREB-CYBMUJFWSA-N -1 0 309.326 -0.354 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000834016560 605747448 /nfs/dbraw/zinc/74/74/48/605747448.db2.gz DGBPKUIDHIGBCX-GYSYKLTISA-N -1 0 314.338 -0.181 20 0 DBADRM O=C([O-])NCCOCC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000834243633 605748267 /nfs/dbraw/zinc/74/82/67/605748267.db2.gz YVWZVPDXJAIQGM-ZWNOBZJWSA-N -1 0 302.327 -0.275 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000834019914 605748284 /nfs/dbraw/zinc/74/82/84/605748284.db2.gz SMIBTBMXCUWLAA-NJBDSQKTSA-N -1 0 314.338 -0.446 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000834019912 605748285 /nfs/dbraw/zinc/74/82/85/605748285.db2.gz SMIBTBMXCUWLAA-FBKDDSFISA-N -1 0 314.338 -0.446 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NCC2(CO)CCOCC2)C1 ZINC000834021830 605751254 /nfs/dbraw/zinc/75/12/54/605751254.db2.gz KUEQQBQSENVOKA-SNVBAGLBSA-N -1 0 301.343 -0.173 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc(Cl)nc1 ZINC000833981062 605753176 /nfs/dbraw/zinc/75/31/76/605753176.db2.gz CBBSQCCLRQREKF-SSDOTTSWSA-N -1 0 300.702 -0.137 20 0 DBADRM Cc1nccn1C[C@@H](C)CNC(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833916798 605753417 /nfs/dbraw/zinc/75/34/17/605753417.db2.gz BRRLBUZCTNXFBF-WPRPVWTQSA-N -1 0 311.342 -0.545 20 0 DBADRM CC[C@@]1(C(=O)NCCNS(C)(=O)=O)CCCN1C(=O)[O-] ZINC000833845375 605755873 /nfs/dbraw/zinc/75/58/73/605755873.db2.gz YWFXEFBQBGQUCU-NSHDSACASA-N -1 0 307.372 -0.426 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CCC(C2OCCO2)CC1 ZINC000833980478 605757159 /nfs/dbraw/zinc/75/71/59/605757159.db2.gz MRJJRSFCONJZRY-VIFPVBQESA-N -1 0 315.326 -0.891 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000833981291 605760213 /nfs/dbraw/zinc/76/02/13/605760213.db2.gz TWDHDWBELJEPDJ-SSDLBLMSSA-N -1 0 313.232 -0.976 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCCc1nc2ccccc2o1 ZINC000833984018 605760882 /nfs/dbraw/zinc/76/08/82/605760882.db2.gz ZNVWXEKYCAOLEB-SECBINFHSA-N -1 0 320.305 -0.002 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000828525899 605765815 /nfs/dbraw/zinc/76/58/15/605765815.db2.gz CCMYUEYMJZGUEL-JTQLQIEISA-N -1 0 314.386 -0.441 20 0 DBADRM O=C([O-])NCCNC(=O)C(=O)Nc1cccc2c1OCCC2=O ZINC000834239241 605766921 /nfs/dbraw/zinc/76/69/21/605766921.db2.gz IODPLYFMTJAODL-UHFFFAOYSA-N -1 0 321.289 -0.026 20 0 DBADRM C=CC(=O)NCCC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC000833372380 605769043 /nfs/dbraw/zinc/76/90/43/605769043.db2.gz RTWJLPZADPAJSI-UWVGGRQHSA-N -1 0 312.322 -0.457 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN1CCOCC1 ZINC000833705461 605769882 /nfs/dbraw/zinc/76/98/82/605769882.db2.gz KFMKGYWRZAPQGO-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN1CCOCC1 ZINC000833705459 605769913 /nfs/dbraw/zinc/76/99/13/605769913.db2.gz KFMKGYWRZAPQGO-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])N1CC(CNC(=O)N2CCO[C@H](Cn3cncn3)C2)C1 ZINC000834066803 605771717 /nfs/dbraw/zinc/77/17/17/605771717.db2.gz JJRBEDXBDWTMAC-NSHDSACASA-N -1 0 324.341 -0.702 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC000825808960 605772748 /nfs/dbraw/zinc/77/27/48/605772748.db2.gz LNIAKEJRLROXPV-UWVGGRQHSA-N -1 0 324.337 -0.426 20 0 DBADRM O=C([O-])N1CC[C@@H](N(CC(=O)N2CCNC(=O)C2)C2CC2)C1 ZINC000834290570 605773692 /nfs/dbraw/zinc/77/36/92/605773692.db2.gz WCYRWMBYZMFOJR-LLVKDONJSA-N -1 0 310.354 -0.839 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NC[C@]2(CCO)CCOC2)C1 ZINC000834034702 605773732 /nfs/dbraw/zinc/77/37/32/605773732.db2.gz XGUAFIYTQALEMA-ZDUSSCGKSA-N -1 0 301.343 -0.316 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](CO)c1ccccc1 ZINC000831616198 605776889 /nfs/dbraw/zinc/77/68/89/605776889.db2.gz PTHUMDSJKJCEIM-JHJVBQTASA-N -1 0 308.334 -0.008 20 0 DBADRM Cn1cc(NC(=O)CN2CCC(NC(=O)[O-])CC2)cc1C(N)=O ZINC000831014380 605780016 /nfs/dbraw/zinc/78/00/16/605780016.db2.gz SNGDXLUPWXBXQE-UHFFFAOYSA-N -1 0 323.353 -0.206 20 0 DBADRM Cn1nnnc1CCNC(=O)[C@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833959576 605785432 /nfs/dbraw/zinc/78/54/32/605785432.db2.gz BFTOLVMRDIAZQY-SECBINFHSA-N -1 0 308.342 -0.351 20 0 DBADRM O=C([O-])Nc1ccc(CC(=O)N2CCN(C(=O)CO)CC2)cc1 ZINC000834256790 605787219 /nfs/dbraw/zinc/78/72/19/605787219.db2.gz SQXJGKKXFFEVPI-UHFFFAOYSA-N -1 0 321.333 -0.018 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000823843693 605787300 /nfs/dbraw/zinc/78/73/00/605787300.db2.gz NRCBVAFZALOGOO-IWSPIJDZSA-N -1 0 301.343 -0.182 20 0 DBADRM NC(=O)CSCC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000831194007 605788739 /nfs/dbraw/zinc/78/87/39/605788739.db2.gz DZXGGJSGWSHLAD-VIFPVBQESA-N -1 0 301.368 -0.052 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NCCN1C(=O)CCC1=O ZINC000833806041 605792058 /nfs/dbraw/zinc/79/20/58/605792058.db2.gz BWUNYLYBKGYNOX-QMMMGPOBSA-N -1 0 300.315 -0.662 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NCCCN1C(=O)CCC1=O ZINC000833807813 605792165 /nfs/dbraw/zinc/79/21/65/605792165.db2.gz NFUYVLODAAXCAB-VIFPVBQESA-N -1 0 314.342 -0.272 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834144430 605793355 /nfs/dbraw/zinc/79/33/55/605793355.db2.gz MDMNZYLWJNSEOB-DTWKUNHWSA-N -1 0 305.356 -0.481 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@@H]1CCCS1(=O)=O ZINC000833809780 605796913 /nfs/dbraw/zinc/79/69/13/605796913.db2.gz VZSADNZTKCWLRP-IUCAKERBSA-N -1 0 307.372 -0.234 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NC[C@H](NC(=O)[O-])C1CC1 ZINC000833869515 605802675 /nfs/dbraw/zinc/80/26/75/605802675.db2.gz BSXMGEDGXWHMJY-NSHDSACASA-N -1 0 321.399 -0.022 20 0 DBADRM COCCc1cc(NC(=O)[C@H]2COCCN2C(=O)[O-])n(C)n1 ZINC000829023779 605803976 /nfs/dbraw/zinc/80/39/76/605803976.db2.gz GMUYATAHMCUQRQ-SNVBAGLBSA-N -1 0 312.326 -0.074 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)NCCCO)CC1)C(=O)[O-] ZINC000828089709 605805777 /nfs/dbraw/zinc/80/57/77/605805777.db2.gz CUQBBQWDZAZQKR-UHFFFAOYSA-N -1 0 301.343 -0.667 20 0 DBADRM CCN(CC(=O)N1CCC(C(=O)NCCCO)CC1)C(=O)[O-] ZINC000826997119 605807322 /nfs/dbraw/zinc/80/73/22/605807322.db2.gz UREPSJHYPQIWSC-UHFFFAOYSA-N -1 0 315.370 -0.277 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000824020262 605807339 /nfs/dbraw/zinc/80/73/39/605807339.db2.gz HTTYVHKJWAKWAE-UHFFFAOYSA-N -1 0 315.370 -0.230 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCOC2(CCOCC2)C1 ZINC000831274819 605810349 /nfs/dbraw/zinc/81/03/49/605810349.db2.gz YGIVIOJWLKADDA-GHMZBOCLSA-N -1 0 314.338 -0.492 20 0 DBADRM CS[C@H](CO)[C@@H](C)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000829710180 605812168 /nfs/dbraw/zinc/81/21/68/605812168.db2.gz KPIHTAHAZOTJOZ-RKDXNWHRSA-N -1 0 319.383 -0.963 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@@H](C)CNC(=O)[O-] ZINC000833880493 605814418 /nfs/dbraw/zinc/81/44/18/605814418.db2.gz YQMGZZBSJZTSHD-QMMMGPOBSA-N -1 0 311.360 -0.781 20 0 DBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000833841643 605818211 /nfs/dbraw/zinc/81/82/11/605818211.db2.gz QZOIVEODRDKKKL-CYBMUJFWSA-N -1 0 311.342 -0.060 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000834010523 605818219 /nfs/dbraw/zinc/81/82/19/605818219.db2.gz OVXHEBZXFMLMSU-SECBINFHSA-N -1 0 311.338 -0.508 20 0 DBADRM O=C([O-])N[C@H]1CC[C@H](C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834169904 605818960 /nfs/dbraw/zinc/81/89/60/605818960.db2.gz MEPPKMRIMPFXNW-IUCAKERBSA-N -1 0 309.326 -0.308 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)N2CCN3C(=O)OCC[C@@H]3C2)C1 ZINC000834085946 605819498 /nfs/dbraw/zinc/81/94/98/605819498.db2.gz UAWFHMFSRQLHPM-NXEZZACHSA-N -1 0 312.326 -0.025 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NCC1(CO)CCOCC1 ZINC000833806067 605823545 /nfs/dbraw/zinc/82/35/45/605823545.db2.gz CDOKLCBMLMELNI-SNVBAGLBSA-N -1 0 303.359 -0.022 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)NC[C@@H]1CCCS1(=O)=O)C1CC1 ZINC000834143313 605823861 /nfs/dbraw/zinc/82/38/61/605823861.db2.gz FONZEJBXYJXTAK-UWVGGRQHSA-N -1 0 319.383 -0.091 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NC[C@H](O)c2ccncc2)C(=O)C1 ZINC000834005718 605825699 /nfs/dbraw/zinc/82/56/99/605825699.db2.gz OWKXWSJACJWHCN-NSHDSACASA-N -1 0 322.321 -0.947 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000833808635 605830418 /nfs/dbraw/zinc/83/04/18/605830418.db2.gz FITYKSVZFPWCIQ-NXEZZACHSA-N -1 0 321.399 -0.875 20 0 DBADRM NS(=O)(=O)CCNC(=O)Cc1cccc(NC(=O)[O-])c1 ZINC000833986682 605844423 /nfs/dbraw/zinc/84/44/23/605844423.db2.gz UMPQYQAQDHSFTO-UHFFFAOYSA-N -1 0 301.324 -0.276 20 0 DBADRM O=C(CC[C@@H]1CCN(C(=O)[O-])C1)NCCN1CCNC(=O)C1 ZINC000833989831 605860572 /nfs/dbraw/zinc/86/05/72/605860572.db2.gz JROWAUVANNYPPC-LLVKDONJSA-N -1 0 312.370 -0.686 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)NCCN2CCNC(=O)C2)C1 ZINC000834168681 605860724 /nfs/dbraw/zinc/86/07/24/605860724.db2.gz PXNFGBXQUVDLLX-QWRGUYRKSA-N -1 0 312.370 -0.639 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)NCCN2CCNC(=O)C2)o1 ZINC000834248638 605860812 /nfs/dbraw/zinc/86/08/12/605860812.db2.gz HFILFPWTCAZXNF-UHFFFAOYSA-N -1 0 310.310 -0.791 20 0 DBADRM O=C([O-])NCCCNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000834237726 605871678 /nfs/dbraw/zinc/87/16/78/605871678.db2.gz PGWXZBIERJUEFL-VIFPVBQESA-N -1 0 318.355 -0.220 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)c2cc(C(=O)[O-])no2)CC1 ZINC000833418962 605874264 /nfs/dbraw/zinc/87/42/64/605874264.db2.gz QOTIIJDFDGVPLF-UHFFFAOYSA-N -1 0 310.310 -0.606 20 0 DBADRM CC(C)(C(=O)N1CCO[C@H](CO)C1)N1CCN(C(=O)[O-])CC1 ZINC000823737917 605876049 /nfs/dbraw/zinc/87/60/49/605876049.db2.gz OXRUIYQPCFCZTG-NSHDSACASA-N -1 0 315.370 -0.720 20 0 DBADRM O=C([O-])N(CC(=O)N1CCO[C@H](CO)C1)C[C@H]1CCCO1 ZINC000831821023 605877103 /nfs/dbraw/zinc/87/71/03/605877103.db2.gz OVKSJDCIKGVGSZ-MNOVXSKESA-N -1 0 302.327 -0.635 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000833950392 605878898 /nfs/dbraw/zinc/87/88/98/605878898.db2.gz HSLRFAIZXUFNAI-LLVKDONJSA-N -1 0 311.294 -0.914 20 0 DBADRM C[C@@H](CC(=O)N1CCCC[C@@H]1CS(N)(=O)=O)NC(=O)[O-] ZINC000824583574 605879926 /nfs/dbraw/zinc/87/99/26/605879926.db2.gz UXTLBTUAVJFKLX-DTWKUNHWSA-N -1 0 307.372 -0.298 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC000827514445 605880878 /nfs/dbraw/zinc/88/08/78/605880878.db2.gz OLXTXWRISBHXFI-IUCAKERBSA-N -1 0 307.372 -0.298 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CC1CN(C(=O)[O-])C1 ZINC000831246602 605881399 /nfs/dbraw/zinc/88/13/99/605881399.db2.gz RCLOWUCDDIVDKT-JTQLQIEISA-N -1 0 319.383 -0.344 20 0 DBADRM O=C([O-])N1CC[C@@H](N(C(=O)C[C@@H]2NC(=O)NC2=O)C2CC2)C1 ZINC000834288362 605887927 /nfs/dbraw/zinc/88/79/27/605887927.db2.gz FJJFZFLZOXRTBL-BDAKNGLRSA-N -1 0 310.310 -0.672 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NCC[C@@H](C)NC(=O)[O-])CCO1 ZINC000833876579 605908787 /nfs/dbraw/zinc/90/87/87/605908787.db2.gz IFFXRPSRSIUYAE-RKDXNWHRSA-N -1 0 302.331 -0.811 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CCO1 ZINC000833878490 605909367 /nfs/dbraw/zinc/90/93/67/605909367.db2.gz SUEHSXVVZSIFDP-VHSXEESVSA-N -1 0 314.342 -0.715 20 0 DBADRM CCN(CCCNC(=O)N1CCO[C@@H](C(=O)NC)C1)C(=O)[O-] ZINC000833858886 605910500 /nfs/dbraw/zinc/91/05/00/605910500.db2.gz TZPMBBZEGYLLHW-SNVBAGLBSA-N -1 0 316.358 -0.467 20 0 DBADRM NC(=O)COCCNC(=O)[C@H]1c2ccccc2CCN1C(=O)[O-] ZINC000833985834 605912354 /nfs/dbraw/zinc/91/23/54/605912354.db2.gz YKSYEYKUHMTDOX-CYBMUJFWSA-N -1 0 321.333 -0.118 20 0 DBADRM CC(C)CNC(=O)CON=C(N)[C@@H]1COCCN1C(=O)[O-] ZINC000833794884 605924290 /nfs/dbraw/zinc/92/42/90/605924290.db2.gz BAJVLAJYCKALSX-VIFPVBQESA-N -1 0 302.331 -0.364 20 0 DBADRM COCCN(C(=O)NCCNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000833882797 605930317 /nfs/dbraw/zinc/93/03/17/605930317.db2.gz BFLFTQWKQBQGQI-SECBINFHSA-N -1 0 323.371 -0.901 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@H](CCSC)NC(=O)[O-])CCO1 ZINC000833875087 605931136 /nfs/dbraw/zinc/93/11/36/605931136.db2.gz JAMDICVAMZDUQW-DTWKUNHWSA-N -1 0 319.383 -0.651 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)[O-])CCO1 ZINC000833875004 605931205 /nfs/dbraw/zinc/93/12/05/605931205.db2.gz GKCNVFAYOFZFJN-HTQZYQBOSA-N -1 0 303.340 -0.987 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[C@H](NC(=O)[O-])C1 ZINC000823661187 605935050 /nfs/dbraw/zinc/93/50/50/605935050.db2.gz HAAZNZQKNANQHE-DCAQKATOSA-N -1 0 312.370 -0.559 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@]2(C)CCCN(C(=O)[O-])C2)CCO1 ZINC000833878856 605935299 /nfs/dbraw/zinc/93/52/99/605935299.db2.gz VEQOJPJXORIODF-IINYFYTJSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NN1Cc2ccccc2C1=O ZINC000834044680 605935453 /nfs/dbraw/zinc/93/54/53/605935453.db2.gz HCSFGLOBLRGWTK-KOLCDFICSA-N -1 0 305.290 -0.213 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)C1CC1 ZINC000834146523 605938743 /nfs/dbraw/zinc/93/87/43/605938743.db2.gz OHUUMISZGLVNBA-UWVGGRQHSA-N -1 0 308.342 -0.062 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000826793164 605941123 /nfs/dbraw/zinc/94/11/23/605941123.db2.gz LICCTRWTGDJACV-DTWKUNHWSA-N -1 0 312.326 -0.569 20 0 DBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2cnn(CC3CC3)c2)C1 ZINC000834059019 605941376 /nfs/dbraw/zinc/94/13/76/605941376.db2.gz SLGFCODWRVQRJS-UHFFFAOYSA-N -1 0 307.310 -0.290 20 0 DBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000834056265 605941435 /nfs/dbraw/zinc/94/14/35/605941435.db2.gz LOUXQXVPNXEQQN-UHFFFAOYSA-N -1 0 303.278 -0.249 20 0 DBADRM O=C([O-])N(CC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)CC1CC1 ZINC000834291460 605942294 /nfs/dbraw/zinc/94/22/94/605942294.db2.gz ZBEAPLUDQWPASH-VIFPVBQESA-N -1 0 310.310 -0.861 20 0 DBADRM O=C([O-])N1CCC[C@H]1CC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000834287919 605942483 /nfs/dbraw/zinc/94/24/83/605942483.db2.gz BDVWJYUVIFJIDF-IUCAKERBSA-N -1 0 310.310 -0.719 20 0 DBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2cnc(C3CC3)nc2)C1 ZINC000834061997 605943576 /nfs/dbraw/zinc/94/35/76/605943576.db2.gz LOZUNRMQGYGARP-UHFFFAOYSA-N -1 0 305.294 -0.229 20 0 DBADRM Cn1nccc1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000833963586 605949026 /nfs/dbraw/zinc/94/90/26/605949026.db2.gz PWZYXHQVIVSPAZ-UHFFFAOYSA-N -1 0 307.310 -0.016 20 0 DBADRM O=C(CN(C(=O)[O-])C1CC1)Nc1n[nH]c(SCCO)n1 ZINC000834003631 605952283 /nfs/dbraw/zinc/95/22/83/605952283.db2.gz NIEKFZOAGPFGTA-UHFFFAOYSA-N -1 0 301.328 -0.030 20 0 DBADRM Cn1cc(C(=O)O[C@H]2CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740285283 605956739 /nfs/dbraw/zinc/95/67/39/605956739.db2.gz WZLDHQWCXXGZPB-QMMMGPOBSA-N -1 0 311.294 -0.617 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC(n3ccnn3)CC2)C1 ZINC000834070339 605963063 /nfs/dbraw/zinc/96/30/63/605963063.db2.gz VNWYROOZLPKWPB-UHFFFAOYSA-N -1 0 309.326 -0.180 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)CN(C(=O)[O-])C3CC3)C2=O)cn1 ZINC000833949394 605967828 /nfs/dbraw/zinc/96/78/28/605967828.db2.gz IJLWCRAITNUNFU-NSHDSACASA-N -1 0 321.337 -0.216 20 0 DBADRM O=C([O-])N(CC(=O)N1CCO[C@@H](Cn2cncn2)C1)C1CC1 ZINC000833999212 605968355 /nfs/dbraw/zinc/96/83/55/605968355.db2.gz PWVVGHUREHFJRJ-LLVKDONJSA-N -1 0 309.326 -0.352 20 0 DBADRM COC(=O)CCN1CCN(C(=O)C2(NC(=O)[O-])CC2)[C@@H](C)C1 ZINC000833877643 605972359 /nfs/dbraw/zinc/97/23/59/605972359.db2.gz AZXIGYDNSIIGRG-JTQLQIEISA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N[C@H](CO)C2CCOCC2)C1 ZINC000834017386 605981635 /nfs/dbraw/zinc/98/16/35/605981635.db2.gz ZTUXKLOUCPKXDN-GHMZBOCLSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])N1CCCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000834111705 605985174 /nfs/dbraw/zinc/98/51/74/605985174.db2.gz AEHUQVXJIXWROU-UHFFFAOYSA-N -1 0 303.278 -0.081 20 0 DBADRM O=C([O-])N(CC(=O)N1CCC(C(=O)NCCO)CC1)C1CC1 ZINC000834041017 605986996 /nfs/dbraw/zinc/98/69/96/605986996.db2.gz IESVGWCXTUOSSA-UHFFFAOYSA-N -1 0 313.354 -0.524 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccccc3)C2=O)C1 ZINC000834019599 605989782 /nfs/dbraw/zinc/98/97/82/605989782.db2.gz PXQREYJGVRMGAV-VXGBXAGGSA-N -1 0 319.317 -0.103 20 0 DBADRM Cn1nnnc1SCCC(=O)NC[C@@H](NC(=O)[O-])C1CC1 ZINC000833959541 605992300 /nfs/dbraw/zinc/99/23/00/605992300.db2.gz ALWBTPDLKVZOQP-MRVPVSSYSA-N -1 0 314.371 -0.145 20 0 DBADRM N=C1NC(=O)C(CC(=O)NC[C@@H](NC(=O)[O-])C2CC2)S1 ZINC000833986126 605994329 /nfs/dbraw/zinc/99/43/29/605994329.db2.gz ISITUCMFQBMLCV-RQJHMYQMSA-N -1 0 300.340 -0.295 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CC[C@@H](N3CCOCC3)C2)C1 ZINC000834157212 605995951 /nfs/dbraw/zinc/99/59/51/605995951.db2.gz HXQVLQAJYPKGLY-NWDGAFQWSA-N -1 0 312.370 -0.781 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000834135792 606002086 /nfs/dbraw/zinc/00/20/86/606002086.db2.gz ZWCZLUZMAMDLKG-WDSKDSINSA-N -1 0 300.283 -0.419 20 0 DBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)CCNC(=O)[O-])C1=O ZINC000833759784 606007237 /nfs/dbraw/zinc/00/72/37/606007237.db2.gz HYOZTJIFOOHSLJ-JTQLQIEISA-N -1 0 323.353 -0.315 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNC(=O)NCC(=O)N1CCOCC1 ZINC000834018869 606015909 /nfs/dbraw/zinc/01/59/09/606015909.db2.gz JUSVDGHFLZTIQC-JTQLQIEISA-N -1 0 314.342 -0.713 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NCC(=O)N2CCOCC2)C1 ZINC000834168596 606023664 /nfs/dbraw/zinc/02/36/64/606023664.db2.gz OZZASEKXKCQPQY-WDEREUQCSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N[C@H](CO)CC2CC2)CC1 ZINC000834041312 606025160 /nfs/dbraw/zinc/02/51/60/606025160.db2.gz IJYCKCRQVPTZAL-LBPRGKRZSA-N -1 0 314.386 -0.258 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)CCC2CCN(C(=O)[O-])CC2)CCO1 ZINC000833979718 606028593 /nfs/dbraw/zinc/02/85/93/606028593.db2.gz HKOBVHLECBDSRM-LLVKDONJSA-N -1 0 313.354 -0.131 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)cc1 ZINC000834262681 606028683 /nfs/dbraw/zinc/02/86/83/606028683.db2.gz NFJIWJZCKKCINW-CQSZACIVSA-N -1 0 323.305 -0.017 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000833980669 606037273 /nfs/dbraw/zinc/03/72/73/606037273.db2.gz PJDQSKSSWFMRBB-WDEREUQCSA-N -1 0 313.354 -0.227 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000834129647 606045946 /nfs/dbraw/zinc/04/59/46/606045946.db2.gz BPLJVCVSEFHEKB-RQJHMYQMSA-N -1 0 314.310 -0.029 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)NCCC(=O)N2CCOCC2)cn1 ZINC000834280336 606054126 /nfs/dbraw/zinc/05/41/26/606054126.db2.gz PLYCQIVELCXXQP-UHFFFAOYSA-N -1 0 323.309 -0.455 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000834128288 606065775 /nfs/dbraw/zinc/06/57/75/606065775.db2.gz AXFRWWPXVJUBAV-NKWVEPMBSA-N -1 0 306.269 -0.486 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)[C@@H](CC(F)F)NC(=O)[O-])cn1 ZINC000833946684 606073023 /nfs/dbraw/zinc/07/30/23/606073023.db2.gz NWIVPLVKDRDUOH-SFYZADRCSA-N -1 0 306.269 -0.139 20 0 DBADRM CNC(=O)C1CCN(C(=O)CCOC2CN(C(=O)[O-])C2)CC1 ZINC000833878998 606077167 /nfs/dbraw/zinc/07/71/67/606077167.db2.gz WGLCFCQCIAVEKL-UHFFFAOYSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])N1CCC[C@@H](C(=O)OCC(=O)N2CCOCC2)C1 ZINC000834284100 606077304 /nfs/dbraw/zinc/07/73/04/606077304.db2.gz FMGRBRCPLCODOP-SNVBAGLBSA-N -1 0 300.311 -0.222 20 0 DBADRM O=C([O-])N1CC[C@H](CNC(=S)NCCN2CCOCC2)C1 ZINC000834077282 606078196 /nfs/dbraw/zinc/07/81/96/606078196.db2.gz FDDLLDWLWRXSHD-LLVKDONJSA-N -1 0 316.427 -0.217 20 0 DBADRM C[C@H](CCNS(=O)(=O)N1CCOC(C)(C)C1)NC(=O)[O-] ZINC000833804870 606081850 /nfs/dbraw/zinc/08/18/50/606081850.db2.gz JFSHAFLQWKFYBN-SECBINFHSA-N -1 0 309.388 -0.022 20 0 DBADRM O=C(CCOC1CN(C(=O)[O-])C1)OCC(=O)N1CCCC1 ZINC000833994672 606084062 /nfs/dbraw/zinc/08/40/62/606084062.db2.gz YLJPVOMVWRPPNI-UHFFFAOYSA-N -1 0 300.311 -0.079 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCC1CCS(=O)(=O)CC1 ZINC000834031354 606086891 /nfs/dbraw/zinc/08/68/91/606086891.db2.gz NWXKKBBVFQIRFC-NXEZZACHSA-N -1 0 320.367 -0.959 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCC1CCS(=O)(=O)CC1 ZINC000834031357 606087068 /nfs/dbraw/zinc/08/70/68/606087068.db2.gz NWXKKBBVFQIRFC-VHSXEESVSA-N -1 0 320.367 -0.959 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)OCC(=O)N1CCOCC1 ZINC000834136533 606087428 /nfs/dbraw/zinc/08/74/28/606087428.db2.gz CKQLKVYJEZHFEP-SSDOTTSWSA-N -1 0 310.253 -0.320 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000834040540 606100589 /nfs/dbraw/zinc/10/05/89/606100589.db2.gz CTENUCPESTVXEF-LLVKDONJSA-N -1 0 321.381 -0.074 20 0 DBADRM COCCOCCn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O ZINC000821693099 606203612 /nfs/dbraw/zinc/20/36/12/606203612.db2.gz RHYMPRZOXMEULK-UHFFFAOYSA-N -1 0 323.309 -0.522 20 0 DBADRM Cn1cc(-c2nn[nH]n2)cc1C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000822641558 606293676 /nfs/dbraw/zinc/29/36/76/606293676.db2.gz QCHIOAAAZPSUGI-UHFFFAOYSA-N -1 0 317.313 -0.609 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC[C@H]2CCOC2=O)c1=O ZINC000821565248 606627241 /nfs/dbraw/zinc/62/72/41/606627241.db2.gz KPBKUXRRKUNZHB-QMMMGPOBSA-N -1 0 320.309 -0.837 20 0 DBADRM Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)C[C@H]2CCCO2)n1 ZINC000822620266 606709127 /nfs/dbraw/zinc/70/91/27/606709127.db2.gz PAYOBQBZSJFPEE-SSDOTTSWSA-N -1 0 313.343 -0.479 20 0 DBADRM COC(C)(C)CN(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821672787 606950961 /nfs/dbraw/zinc/95/09/61/606950961.db2.gz XQKROTQSRJLEBP-UHFFFAOYSA-N -1 0 323.357 -0.875 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000388402546 607108101 /nfs/dbraw/zinc/10/81/01/607108101.db2.gz VSKZGSKDNBBECS-JTQLQIEISA-N -1 0 303.278 -0.208 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000314918111 607109716 /nfs/dbraw/zinc/10/97/16/607109716.db2.gz IVSLBJHIGVQPPK-SNVBAGLBSA-N -1 0 303.278 -0.208 20 0 DBADRM COC(=O)CCCCCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821660269 607205893 /nfs/dbraw/zinc/20/58/93/607205893.db2.gz LHLHTIVXYXNAJO-UHFFFAOYSA-N -1 0 322.329 -0.692 20 0 DBADRM C[C@@H]1c2cccn2CCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820827730 607206350 /nfs/dbraw/zinc/20/63/50/607206350.db2.gz WJPYYZBPVHTEOW-SECBINFHSA-N -1 0 313.325 -0.137 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1nc2ccccc2[nH]1 ZINC000823136020 607206381 /nfs/dbraw/zinc/20/63/81/607206381.db2.gz GLLLXHKWFJMTNU-UHFFFAOYSA-N -1 0 310.281 -0.027 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1n[nH]c2ccccc21 ZINC000823136073 607206560 /nfs/dbraw/zinc/20/65/60/607206560.db2.gz IVHGBJFEPPETLY-UHFFFAOYSA-N -1 0 310.281 -0.027 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccc(Cl)nc1 ZINC000823132023 607209284 /nfs/dbraw/zinc/20/92/84/607209284.db2.gz VUOZIXAFBGRQAI-UHFFFAOYSA-N -1 0 319.716 -0.177 20 0 DBADRM CN(C[C@H]1CCCCO1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821596587 607209530 /nfs/dbraw/zinc/20/95/30/607209530.db2.gz OSZAKJCMUGVYHF-SECBINFHSA-N -1 0 306.330 -0.514 20 0 DBADRM CCN(CC(F)(F)F)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821170443 607211976 /nfs/dbraw/zinc/21/19/76/607211976.db2.gz QOAUIQWWYWVCFQ-UHFFFAOYSA-N -1 0 304.236 -0.131 20 0 DBADRM Cc1ncsc1CN(C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000822482348 607216187 /nfs/dbraw/zinc/21/61/87/607216187.db2.gz QKHQRWMHZKSLPS-UHFFFAOYSA-N -1 0 319.354 -0.118 20 0 DBADRM CCOC[C@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821368323 607217047 /nfs/dbraw/zinc/21/70/47/607217047.db2.gz TUAXLKURJSRQIH-JTQLQIEISA-N -1 0 320.357 -0.267 20 0 DBADRM COC(=O)CCN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)C(C)C ZINC000821661347 607217074 /nfs/dbraw/zinc/21/70/74/607217074.db2.gz FKZXIOZZQMKYAH-UHFFFAOYSA-N -1 0 322.329 -0.742 20 0 DBADRM CCCC(O)(CCC)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821023383 607218776 /nfs/dbraw/zinc/21/87/76/607218776.db2.gz ZBJFXTJTPQMNFO-UHFFFAOYSA-N -1 0 322.373 -0.094 20 0 DBADRM CS[C@H]1CC[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821950586 607220294 /nfs/dbraw/zinc/22/02/94/607220294.db2.gz PCWULIODPKOYHY-YUMQZZPRSA-N -1 0 308.371 -0.142 20 0 DBADRM CCOc1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC000821430693 607220867 /nfs/dbraw/zinc/22/08/67/607220867.db2.gz DHLGTMOMLYVOJV-UHFFFAOYSA-N -1 0 315.297 -0.109 20 0 DBADRM CC(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820044609 607221325 /nfs/dbraw/zinc/22/13/25/607221325.db2.gz HRTJWTWWTMGQTH-MWLCHTKSSA-N -1 0 320.357 -0.365 20 0 DBADRM CN(CCC1CCOCC1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821599440 607222758 /nfs/dbraw/zinc/22/27/58/607222758.db2.gz UKFSJZBTDGNZIC-UHFFFAOYSA-N -1 0 320.357 -0.267 20 0 DBADRM CC(C)OC(=O)[C@H](C)N(C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820137896 607223573 /nfs/dbraw/zinc/22/35/73/607223573.db2.gz PRVPYJHJSFTXCH-QMMMGPOBSA-N -1 0 322.329 -0.743 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@@H]2COCC[C@@H]21 ZINC000823127237 607223576 /nfs/dbraw/zinc/22/35/76/607223576.db2.gz XLMWVXHCZPRJOA-ZJUUUORDSA-N -1 0 318.341 -0.514 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826149750 607778066 /nfs/dbraw/zinc/77/80/66/607778066.db2.gz NVQSGJZIXDAPKO-ZCFIWIBFSA-N -1 0 314.327 -0.711 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000825603739 607778111 /nfs/dbraw/zinc/77/81/11/607778111.db2.gz AKXMSDYJRSRRLR-UHFFFAOYSA-N -1 0 314.327 -0.709 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccccn1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826450424 607778627 /nfs/dbraw/zinc/77/86/27/607778627.db2.gz LQMIZVPRKIVXCW-UHFFFAOYSA-N -1 0 319.306 -0.292 20 0 DBADRM C[C@@H](O)C[C@H]1CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824698705 607779519 /nfs/dbraw/zinc/77/95/19/607779519.db2.gz NLLJNPCANFCTAW-RKDXNWHRSA-N -1 0 306.330 -0.780 20 0 DBADRM O=S(=O)([N-]c1nncs1)c1ccc(-c2nn[nH]n2)nc1 ZINC000826493504 607880714 /nfs/dbraw/zinc/88/07/14/607880714.db2.gz NRRWZRVVHIUDGZ-UHFFFAOYSA-N -1 0 310.324 -0.086 20 0 DBADRM CN(c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)[C@H]1CCSC1 ZINC000826004456 607905221 /nfs/dbraw/zinc/90/52/21/607905221.db2.gz YULNVOODLTWGIW-ZETCQYMHSA-N -1 0 323.382 -0.794 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCCC[C@H]1CO ZINC000826425598 607993808 /nfs/dbraw/zinc/99/38/08/607993808.db2.gz KQDGRRSKGWLTLO-DTWKUNHWSA-N -1 0 306.330 -0.875 20 0 DBADRM C[C@H](NS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[O-] ZINC000824633649 608010627 /nfs/dbraw/zinc/01/06/27/608010627.db2.gz PWPCGRCPYIFBEH-ZETCQYMHSA-N -1 0 311.323 -0.241 20 0 DBADRM C[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[O-] ZINC000824633647 608010669 /nfs/dbraw/zinc/01/06/69/608010669.db2.gz PWPCGRCPYIFBEH-SSDOTTSWSA-N -1 0 311.323 -0.241 20 0 DBADRM CC[C@H](C)C(=O)Cn1c(=O)c(-c2nnn[n-]2)cn(CC)c1=O ZINC000825049531 608022287 /nfs/dbraw/zinc/02/22/87/608022287.db2.gz CATJNFXKVWEJIF-QMMMGPOBSA-N -1 0 306.326 -0.175 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1nc2cc[nH]cc-2n1 ZINC000826425384 608030542 /nfs/dbraw/zinc/03/05/42/608030542.db2.gz AVXDYNXNRKMLPL-UHFFFAOYSA-N -1 0 311.269 -0.632 20 0 DBADRM CCOC(=O)CC[C@@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825507227 608031994 /nfs/dbraw/zinc/03/19/94/608031994.db2.gz PHEJIPGUQXKHHI-MRVPVSSYSA-N -1 0 322.329 -0.694 20 0 DBADRM COc1cc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)ccn1 ZINC000826180228 608096205 /nfs/dbraw/zinc/09/62/05/608096205.db2.gz YLRKJOCYVZKIOR-UHFFFAOYSA-N -1 0 315.293 -0.821 20 0 DBADRM O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000826470212 608202286 /nfs/dbraw/zinc/20/22/86/608202286.db2.gz HZLKIXJQQPBQIO-SSDOTTSWSA-N -1 0 314.313 -0.272 20 0 DBADRM CC(C)(O)[C@H]1CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824167759 608202392 /nfs/dbraw/zinc/20/23/92/608202392.db2.gz UIIMLZNYQSDTNJ-MRVPVSSYSA-N -1 0 306.330 -0.780 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2ncccc2C)c1=O ZINC000825799936 608218388 /nfs/dbraw/zinc/21/83/88/608218388.db2.gz WYIIVPPNFNTCJT-UHFFFAOYSA-N -1 0 313.321 -0.038 20 0 DBADRM O=C(NCc1ccc(-c2nn[nH]n2)cc1)c1n[nH]c(=O)[n-]c1=O ZINC000826441408 608225356 /nfs/dbraw/zinc/22/53/56/608225356.db2.gz CLYIVXXZKHXCLZ-UHFFFAOYSA-N -1 0 314.265 -0.607 20 0 DBADRM C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)[N-]OCC(N)=O ZINC000824738557 608279832 /nfs/dbraw/zinc/27/98/32/608279832.db2.gz QEKFAFXGZSUZCM-SSDOTTSWSA-N -1 0 306.282 -0.833 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)[N-]c1n[nH]cc1-c1nn[nH]n1 ZINC000826339798 608305416 /nfs/dbraw/zinc/30/54/16/608305416.db2.gz UNJXGGJDSBDBHO-UHFFFAOYSA-N -1 0 310.299 -0.005 20 0 DBADRM NS(=O)(=O)c1ccc(CCn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000826394600 608395357 /nfs/dbraw/zinc/39/53/57/608395357.db2.gz QBJDLQPOQZLZLF-UHFFFAOYSA-N -1 0 320.338 -0.652 20 0 DBADRM O=C(COc1ccc(-c2nn[nH]n2)cc1)OCc1n[nH]c(=O)[n-]1 ZINC000826417800 608435651 /nfs/dbraw/zinc/43/56/51/608435651.db2.gz GZNWSYHAHRNXEX-UHFFFAOYSA-N -1 0 317.265 -0.187 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCC[C@@H]2CCOC2)n(C)c1=O ZINC000826355558 609603516 /nfs/dbraw/zinc/60/35/16/609603516.db2.gz FNQDOXKPQZCTPG-MRVPVSSYSA-N -1 0 321.341 -0.897 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000092444332 664163816 /nfs/dbraw/zinc/16/38/16/664163816.db2.gz HJVMVVXITFGGJD-UHFFFAOYSA-N -1 0 321.277 -0.806 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CC2(C)C)n1 ZINC000977335652 665458799 /nfs/dbraw/zinc/45/87/99/665458799.db2.gz MOHSSAJNBAYYBR-VIFPVBQESA-N -1 0 320.357 -0.721 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccncn1 ZINC000977363497 665463433 /nfs/dbraw/zinc/46/34/33/665463433.db2.gz HWYYNQSSIWNFDS-SNVBAGLBSA-N -1 0 317.353 -0.059 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001027524910 665471496 /nfs/dbraw/zinc/47/14/96/665471496.db2.gz SKHAVTRUYBORFH-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM CC1(C)CN(CCF)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000977513899 665479009 /nfs/dbraw/zinc/47/90/09/665479009.db2.gz NOXNLWAVNSYKEE-MRVPVSSYSA-N -1 0 301.322 -0.515 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cn1cncn1 ZINC000977554282 665480581 /nfs/dbraw/zinc/48/05/81/665480581.db2.gz SJXVIAXJLYRXKJ-SECBINFHSA-N -1 0 320.357 -0.871 20 0 DBADRM Cn1ccc(C(=O)N[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CC2(C)C)n1 ZINC000977591288 665483112 /nfs/dbraw/zinc/48/31/12/665483112.db2.gz VKJTXPVUGZEEJE-JTQLQIEISA-N -1 0 319.369 -0.116 20 0 DBADRM Cn1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CC2(C)C)n1 ZINC000977591290 665483290 /nfs/dbraw/zinc/48/32/90/665483290.db2.gz VKJTXPVUGZEEJE-SNVBAGLBSA-N -1 0 319.369 -0.116 20 0 DBADRM CC(C)[C@@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663024014 665500953 /nfs/dbraw/zinc/50/09/53/665500953.db2.gz LKXBNRHJMPVHCG-DTWKUNHWSA-N -1 0 307.372 -0.873 20 0 DBADRM CN(C[C@H]1CCN1C(=O)C1(C)CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978067923 665515261 /nfs/dbraw/zinc/51/52/61/665515261.db2.gz DACKUYDJKCYWEI-MRVPVSSYSA-N -1 0 321.337 -0.244 20 0 DBADRM CN(C[C@H]1CCN1C(=O)C1CCC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978074856 665517408 /nfs/dbraw/zinc/51/74/08/665517408.db2.gz SXUWUIYXEQRVJD-SECBINFHSA-N -1 0 321.337 -0.244 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978147411 665523497 /nfs/dbraw/zinc/52/34/97/665523497.db2.gz MYYOEUQXJGLEQT-HRDYMLBCSA-N -1 0 321.337 -0.388 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978197475 665526179 /nfs/dbraw/zinc/52/61/79/665526179.db2.gz MYYOEUQXJGLEQT-YIZRAAEISA-N -1 0 321.337 -0.388 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CN(C)C(=O)c2cnon2)c1[O-] ZINC000978246261 665528906 /nfs/dbraw/zinc/52/89/06/665528906.db2.gz WPXHPFBWSRUEFN-QMMMGPOBSA-N -1 0 320.309 -0.207 20 0 DBADRM Cc1c[nH]c(C(=O)NC[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)n1 ZINC000978876463 665581260 /nfs/dbraw/zinc/58/12/60/665581260.db2.gz XMOMYYLTBHAKGI-OWUUHHOZSA-N -1 0 317.353 -0.350 20 0 DBADRM O=C(CC1CC1)N[C@H]1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000979066725 665599484 /nfs/dbraw/zinc/59/94/84/665599484.db2.gz USGIJICDJZSOLW-DTORHVGOSA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1cc[n+]([O-])cc1 ZINC001027742330 665617088 /nfs/dbraw/zinc/61/70/88/665617088.db2.gz SLUSNSHBUGZUME-LLVKDONJSA-N -1 0 318.337 -0.462 20 0 DBADRM C[C@H]([NH2+]Cc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC000979208150 665619149 /nfs/dbraw/zinc/61/91/49/665619149.db2.gz JHLGFQQSJKGXTK-WCBMZHEXSA-N -1 0 321.341 -0.747 20 0 DBADRM C[C@@H]([NH2+]Cc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC000979234977 665622368 /nfs/dbraw/zinc/62/23/68/665622368.db2.gz QKGALRDILRSKEJ-PSASIEDQSA-N -1 0 321.341 -0.747 20 0 DBADRM C[C@@H]([NH2+]Cc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC000979234980 665622387 /nfs/dbraw/zinc/62/23/87/665622387.db2.gz QKGALRDILRSKEJ-SCZZXKLOSA-N -1 0 321.341 -0.747 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1COCCO1 ZINC001027766666 665630364 /nfs/dbraw/zinc/63/03/64/665630364.db2.gz UQVNGIUOWBMVAP-UWVGGRQHSA-N -1 0 311.342 -0.994 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1cnsn1 ZINC001027771902 665631999 /nfs/dbraw/zinc/63/19/99/665631999.db2.gz UIDVOQKGQRNAMG-ZETCQYMHSA-N -1 0 309.355 -0.244 20 0 DBADRM Cn1[nH]c(CN2CCC[C@@H]2CNC(=O)c2cscn2)nc1=O ZINC001027781775 665638737 /nfs/dbraw/zinc/63/87/37/665638737.db2.gz MGXINLGILSWWHS-SECBINFHSA-N -1 0 322.394 -0.041 20 0 DBADRM CC(=O)NC[C@H]1C[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000979378133 665643775 /nfs/dbraw/zinc/64/37/75/665643775.db2.gz ZRQKKEDLOMCEOE-MGCOHNPYSA-N -1 0 318.337 -0.898 20 0 DBADRM Cc1nn(C)cc1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027797853 665653869 /nfs/dbraw/zinc/65/38/69/665653869.db2.gz WWSUZCFPXKNYFQ-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000979429493 665651695 /nfs/dbraw/zinc/65/16/95/665651695.db2.gz QXGCOIIHRCTCLU-FNCVBFRFSA-N -1 0 321.337 -0.437 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000979429502 665651833 /nfs/dbraw/zinc/65/18/33/665651833.db2.gz QXGCOIIHRCTCLU-XSPKLOCKSA-N -1 0 321.337 -0.437 20 0 DBADRM C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027795676 665652182 /nfs/dbraw/zinc/65/21/82/665652182.db2.gz YNCQVDYBFUESKX-GHMZBOCLSA-N -1 0 308.386 -0.315 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3cnccn3)CC2)c1[O-] ZINC001009972927 665654859 /nfs/dbraw/zinc/65/48/59/665654859.db2.gz CYIRKJJVNPIRGG-UHFFFAOYSA-N -1 0 316.321 -0.188 20 0 DBADRM Cc1c(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)nnn1C ZINC001027804357 665656567 /nfs/dbraw/zinc/65/65/67/665656567.db2.gz ZINCTGKZLBDNAS-SECBINFHSA-N -1 0 320.357 -0.658 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2Cc2cnn(C)n2)c1[O-] ZINC001027832151 665684054 /nfs/dbraw/zinc/68/40/54/665684054.db2.gz AGDUGRKSUFFHQM-LLVKDONJSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2[C@@H]2CCN(C)C2=O)c1[O-] ZINC001027833440 665684917 /nfs/dbraw/zinc/68/49/17/665684917.db2.gz QEKSEIOOHGTLHP-WDEREUQCSA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2Cc2nnn(C)n2)c1[O-] ZINC001027833941 665685298 /nfs/dbraw/zinc/68/52/98/665685298.db2.gz WCPZOAXQVPOOLW-SECBINFHSA-N -1 0 320.357 -0.658 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)C1=CCOCC1 ZINC001027841442 665691632 /nfs/dbraw/zinc/69/16/32/665691632.db2.gz FYGCURDMBDVYCF-NSHDSACASA-N -1 0 307.354 -0.062 20 0 DBADRM CCC(=O)N[C@@H]1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000979895635 665695158 /nfs/dbraw/zinc/69/51/58/665695158.db2.gz SGEMZDLGPBYQGJ-IVZWLZJFSA-N -1 0 323.353 -0.548 20 0 DBADRM CCC(=O)NC1CCC(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000979948839 665699627 /nfs/dbraw/zinc/69/96/27/665699627.db2.gz PHNIWELHIWSQRA-UHFFFAOYSA-N -1 0 311.342 -0.357 20 0 DBADRM O=C(NC1CCC(NC(=O)C2CC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC000979980000 665701732 /nfs/dbraw/zinc/70/17/32/665701732.db2.gz MZIRIDCHNNCQLI-UHFFFAOYSA-N -1 0 321.337 -0.150 20 0 DBADRM Cn1nncc1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027859865 665702191 /nfs/dbraw/zinc/70/21/91/665702191.db2.gz YNMNXQGQIFIRED-MRVPVSSYSA-N -1 0 306.330 -0.967 20 0 DBADRM CCn1nncc1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027870794 665716071 /nfs/dbraw/zinc/71/60/71/665716071.db2.gz CNEYQBJVQJQKNW-SECBINFHSA-N -1 0 320.357 -0.484 20 0 DBADRM Cc1cn(C)nc1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027880480 665721578 /nfs/dbraw/zinc/72/15/78/665721578.db2.gz QBFTWJUUTTYPPG-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM CN(Cc1ccon1)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000980262183 665742332 /nfs/dbraw/zinc/74/23/32/665742332.db2.gz FGVJFILVGJTHQL-SNVBAGLBSA-N -1 0 322.325 -0.590 20 0 DBADRM Cc1nc[nH]c1CC(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000980266547 665743476 /nfs/dbraw/zinc/74/34/76/665743476.db2.gz ZJNSBYZVRXAKOS-JTQLQIEISA-N -1 0 319.369 -0.183 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001027918419 665749394 /nfs/dbraw/zinc/74/93/94/665749394.db2.gz PBIMPDHRHOHSEH-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC000980540059 665772555 /nfs/dbraw/zinc/77/25/55/665772555.db2.gz XBNXCXYUMKYADQ-JTQLQIEISA-N -1 0 305.342 -0.560 20 0 DBADRM CC(C)C(=O)N1CC[C@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000936661663 665783466 /nfs/dbraw/zinc/78/34/66/665783466.db2.gz FUGSNXIFPFDKAX-JTQLQIEISA-N -1 0 322.365 -0.185 20 0 DBADRM O=C(C1=COCCO1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980661108 665784389 /nfs/dbraw/zinc/78/43/89/665784389.db2.gz GQOVBRZMGBEIOU-UHFFFAOYSA-N -1 0 309.326 -0.567 20 0 DBADRM C[C@H]1C[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)Cc1nnc[nH]1 ZINC000980760043 665796328 /nfs/dbraw/zinc/79/63/28/665796328.db2.gz PHNPHLKLHCNDNS-DTWKUNHWSA-N -1 0 320.357 -0.802 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1ccon1)c1n[nH]c(=O)[n-]c1=O ZINC001027999811 665807611 /nfs/dbraw/zinc/80/76/11/665807611.db2.gz QGRWONOPCUKCAT-SECBINFHSA-N -1 0 320.309 -0.335 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1cnon1)c1n[nH]c(=O)[n-]c1=O ZINC001027999743 665807931 /nfs/dbraw/zinc/80/79/31/665807931.db2.gz OTJUUCJDXUUGQT-QMMMGPOBSA-N -1 0 321.297 -0.940 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)Cn1nc2ccccn2c1=O)C1CC1 ZINC000317314187 665812208 /nfs/dbraw/zinc/81/22/08/665812208.db2.gz BOMCWQPMADCWTP-SNVBAGLBSA-N -1 0 304.306 -0.135 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN([C@@H]3CCN(C)C3=O)CC2)c1[O-] ZINC000980979929 665814001 /nfs/dbraw/zinc/81/40/01/665814001.db2.gz TWXJNEVEHPMPBG-LLVKDONJSA-N -1 0 321.381 -0.198 20 0 DBADRM COc1cc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)on1 ZINC000981016084 665816912 /nfs/dbraw/zinc/81/69/12/665816912.db2.gz SGPZGNXOZCMNFV-UHFFFAOYSA-N -1 0 322.325 -0.145 20 0 DBADRM CO[C@H](C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)C1CC1 ZINC000981075849 665820576 /nfs/dbraw/zinc/82/05/76/665820576.db2.gz MVDOQAIGMABOLO-LBPRGKRZSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1nnc(CC(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)o1 ZINC000981100316 665821965 /nfs/dbraw/zinc/82/19/65/665821965.db2.gz FQFLRYCFDZATOB-UHFFFAOYSA-N -1 0 321.341 -0.521 20 0 DBADRM O=C(N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@]12C[C@H]1COC2 ZINC000981204732 665829508 /nfs/dbraw/zinc/82/95/08/665829508.db2.gz RXSRVOCWACZECR-HZMBPMFUSA-N -1 0 307.354 -0.419 20 0 DBADRM Cc1ncc(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)n1C ZINC001028098703 665855563 /nfs/dbraw/zinc/85/55/63/665855563.db2.gz VAOMOQNCAXGZFA-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(c1nc[nH]n1)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC000982075382 665912330 /nfs/dbraw/zinc/91/23/30/665912330.db2.gz HCHDPHURFQXLOE-UHFFFAOYSA-N -1 0 318.341 -0.633 20 0 DBADRM Cc1[nH]nc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1C ZINC001010397747 665929859 /nfs/dbraw/zinc/92/98/59/665929859.db2.gz PQVLMPKEIQBLSQ-VIFPVBQESA-N -1 0 305.342 -0.145 20 0 DBADRM CO[C@H](C)C(=O)N1CC[C@@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC000936809065 665937575 /nfs/dbraw/zinc/93/75/75/665937575.db2.gz GJUMIIMKVHNADS-NXEZZACHSA-N -1 0 308.338 -0.110 20 0 DBADRM O=C([N-]S(=O)(=O)CC[C@@H]1CCCO1)c1cc2n(n1)CCO2 ZINC000893710700 665958360 /nfs/dbraw/zinc/95/83/60/665958360.db2.gz VAZQXFYPIQPGSD-VIFPVBQESA-N -1 0 315.351 -0.096 20 0 DBADRM O=C(NC[C@@H]1CCN(C(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000982323861 665959284 /nfs/dbraw/zinc/95/92/84/665959284.db2.gz AIMGXSISXZPLIO-ZETCQYMHSA-N -1 0 307.310 -0.729 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3cc[nH]n3)CC2)c1[O-] ZINC001010409872 665961475 /nfs/dbraw/zinc/96/14/75/665961475.db2.gz NHQGLRUMWYMXSF-UHFFFAOYSA-N -1 0 304.310 -0.255 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)CC[C@H]2CCCO2)CC1=O ZINC000893713499 665962345 /nfs/dbraw/zinc/96/23/45/665962345.db2.gz PHVUQBZNHIFWJA-WDEREUQCSA-N -1 0 318.395 -0.130 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)CC[C@H]2CCCO2)CC1=O ZINC000893713496 665962731 /nfs/dbraw/zinc/96/27/31/665962731.db2.gz PHVUQBZNHIFWJA-GHMZBOCLSA-N -1 0 318.395 -0.130 20 0 DBADRM C[C@H](NC(=O)C1CCOCC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969196261 663804062 /nfs/dbraw/zinc/80/40/62/663804062.db2.gz RZFBJNSRDIXCLZ-VIFPVBQESA-N -1 0 309.370 -0.127 20 0 DBADRM C[C@](O)(CNC(=O)CCNC(=O)c1cccs1)C(=O)[O-] ZINC000090275552 663806725 /nfs/dbraw/zinc/80/67/25/663806725.db2.gz PRTMENGIKRPPOV-LBPRGKRZSA-N -1 0 300.336 -0.180 20 0 DBADRM Cc1cnc(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC000969244419 663808972 /nfs/dbraw/zinc/80/89/72/663808972.db2.gz VTRXIFNNVLDVOV-SECBINFHSA-N -1 0 317.353 -0.141 20 0 DBADRM O=C(CCc1ccon1)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC000969331667 663816170 /nfs/dbraw/zinc/81/61/70/663816170.db2.gz ZGCNDSAKAHSVMJ-SNVBAGLBSA-N -1 0 306.326 -0.178 20 0 DBADRM Cc1nccc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001039032220 663821424 /nfs/dbraw/zinc/82/14/24/663821424.db2.gz JMDZUISSJXRXEB-VIFPVBQESA-N -1 0 303.326 -0.387 20 0 DBADRM Cc1cc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC000969366048 663821967 /nfs/dbraw/zinc/82/19/67/663821967.db2.gz PZZCTFBYIBFHPD-VIFPVBQESA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1ncc(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC000969401831 663825123 /nfs/dbraw/zinc/82/51/23/663825123.db2.gz KPOXSNNXUKHKQL-SSDOTTSWSA-N -1 0 305.342 -0.208 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN([C@H]3CCN(C)C3=O)C2)c1[O-] ZINC000969500051 663838809 /nfs/dbraw/zinc/83/88/09/663838809.db2.gz GENICXZRNOVZCU-KCJUWKMLSA-N -1 0 321.381 -0.295 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN([C@@H](C)C(=O)N(C)C)C2)c1[O-] ZINC000969500041 663838958 /nfs/dbraw/zinc/83/89/58/663838958.db2.gz FXSNAYMTJYXMBN-SCZZXKLOSA-N -1 0 323.397 -0.049 20 0 DBADRM Cc1ncn(C)c1C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969895473 663878969 /nfs/dbraw/zinc/87/89/69/663878969.db2.gz AHANXLOCRYRXLN-MRVPVSSYSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@@H](NC(=O)c1cn[nH]c(=O)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969908680 663880442 /nfs/dbraw/zinc/88/04/42/663880442.db2.gz VELSNIUMJPFEEM-SSDOTTSWSA-N -1 0 319.325 -0.744 20 0 DBADRM C[C@H](NC(=O)c1cc(=O)[nH]c(C2CC2)n1)C1CN(CC(N)=O)C1 ZINC000969917222 663881297 /nfs/dbraw/zinc/88/12/97/663881297.db2.gz WGXXASUPSKPTLS-QMMMGPOBSA-N -1 0 319.365 -0.405 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCCC(=O)N1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969916748 663881538 /nfs/dbraw/zinc/88/15/38/663881538.db2.gz QNRNKOHBCNLIAV-WCBMZHEXSA-N -1 0 322.369 -0.885 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2CC(=O)N2CCC2)c1[O-] ZINC001038172583 663888737 /nfs/dbraw/zinc/88/87/37/663888737.db2.gz QORCVTXGVICBMF-SNVBAGLBSA-N -1 0 307.354 -0.540 20 0 DBADRM CC(=O)NC[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001020781610 663905096 /nfs/dbraw/zinc/90/50/96/663905096.db2.gz USVZBLXZOXYWID-KOLCDFICSA-N -1 0 322.365 -0.280 20 0 DBADRM CC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001020781906 663905108 /nfs/dbraw/zinc/90/51/08/663905108.db2.gz VKDCZXYLBMCEQD-CBAPKCEASA-N -1 0 309.326 -0.483 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H]2CCN(C(=O)C3CC3)[C@@H]2C1 ZINC001020883848 663917446 /nfs/dbraw/zinc/91/74/46/663917446.db2.gz CQNHMUMOKVIXHF-VHSXEESVSA-N -1 0 321.337 -0.841 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000804774781 663930948 /nfs/dbraw/zinc/93/09/48/663930948.db2.gz SWACWXGKVTUCGD-WDEREUQCSA-N -1 0 319.427 -0.377 20 0 DBADRM Cc1nscc1C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[nH]1 ZINC001038181922 663933490 /nfs/dbraw/zinc/93/34/90/663933490.db2.gz WFPBYOOTIDITGS-SECBINFHSA-N -1 0 322.394 -0.122 20 0 DBADRM C[C@H](NC(=O)c1c[nH]c(=O)n1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970272138 663957803 /nfs/dbraw/zinc/95/78/03/663957803.db2.gz AGPQSTXMEQIFAD-ZETCQYMHSA-N -1 0 321.341 -0.800 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)C1 ZINC000970437289 663989245 /nfs/dbraw/zinc/98/92/45/663989245.db2.gz JQFBTWSNECDFEG-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM CC[C@H](C)C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954877269 664006342 /nfs/dbraw/zinc/00/63/42/664006342.db2.gz QNVRHJCIABSDMB-ZETCQYMHSA-N -1 0 309.326 -0.388 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@H](C)C2CN(Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC000970561256 664007316 /nfs/dbraw/zinc/00/73/16/664007316.db2.gz UGSRMWVJCBZDJR-SECBINFHSA-N -1 0 319.369 -0.610 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnns1 ZINC001006818710 664008631 /nfs/dbraw/zinc/00/86/31/664008631.db2.gz DWQSEBLSXWYGBM-ZETCQYMHSA-N -1 0 309.355 -0.244 20 0 DBADRM Cc1cnc(CN[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC000970581512 664012212 /nfs/dbraw/zinc/01/22/12/664012212.db2.gz KBSRZMJGTCXLPA-SECBINFHSA-N -1 0 322.325 -0.624 20 0 DBADRM C[C@@H](NC(=O)c1cccnn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970637748 664025310 /nfs/dbraw/zinc/02/53/10/664025310.db2.gz UINROHCHEPKKFR-MRVPVSSYSA-N -1 0 303.326 -0.449 20 0 DBADRM CCn1cnc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC000970750932 664045361 /nfs/dbraw/zinc/04/53/61/664045361.db2.gz BMGBLASNRYCCOA-VIFPVBQESA-N -1 0 319.369 -0.023 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1)CC2 ZINC000909894449 674584868 /nfs/dbraw/zinc/58/48/68/674584868.db2.gz DLBJXHWMHKXRPI-DVVUODLYSA-N -1 0 308.338 -0.151 20 0 DBADRM C[C@@H](NC(=O)c1ccc(=O)[nH]c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970839442 664061191 /nfs/dbraw/zinc/06/11/91/664061191.db2.gz QGHNMMMCMVJPGR-MRVPVSSYSA-N -1 0 318.337 -0.139 20 0 DBADRM CC[C@](C)(OC)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813946673 664061599 /nfs/dbraw/zinc/06/15/99/664061599.db2.gz ILEOVXQJPHJWQY-LBPRGKRZSA-N -1 0 321.399 -0.673 20 0 DBADRM CC[C@@H](C)CC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813947601 664061966 /nfs/dbraw/zinc/06/19/66/664061966.db2.gz PPHDVENCOVVOJU-SNVBAGLBSA-N -1 0 305.400 -0.052 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC34CC4)[C@@H](O)C2)c1[O-] ZINC000970915927 664075605 /nfs/dbraw/zinc/07/56/05/664075605.db2.gz HHIQUYLWMPZMKF-BBBLOLIVSA-N -1 0 320.349 -0.475 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC34CC4)[C@@H](O)C2)c1[O-] ZINC000970915923 664075956 /nfs/dbraw/zinc/07/59/56/664075956.db2.gz HHIQUYLWMPZMKF-AEJSXWLSSA-N -1 0 320.349 -0.475 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2COCCO2)c1[O-] ZINC000949426774 664079338 /nfs/dbraw/zinc/07/93/38/664079338.db2.gz RKNRLRFKWOFKOX-ZJUUUORDSA-N -1 0 324.337 -0.830 20 0 DBADRM CC(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@H]21 ZINC000970971660 664085548 /nfs/dbraw/zinc/08/55/48/664085548.db2.gz VJUDMCWSSPCIAT-VXGBXAGGSA-N -1 0 320.349 -0.994 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H]2CN(C(=O)C3CC3)[C@@H]2C1 ZINC000971004896 664091346 /nfs/dbraw/zinc/09/13/46/664091346.db2.gz JXNCQHNOTOXXNH-RKDXNWHRSA-N -1 0 319.321 -0.634 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]2CN(C(=O)C3CC3)[C@@H]2C1 ZINC000971004547 664091704 /nfs/dbraw/zinc/09/17/04/664091704.db2.gz HDKZKPWXHKTLSU-NXEZZACHSA-N -1 0 321.337 -0.841 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2cnsn2)C1 ZINC000971139360 664114704 /nfs/dbraw/zinc/11/47/04/664114704.db2.gz YPDJNFWPRSBLBZ-SSDOTTSWSA-N -1 0 309.355 -0.292 20 0 DBADRM CN(C(=O)C12CC(C(=O)[O-])(C1)C2)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000910032523 674590417 /nfs/dbraw/zinc/59/04/17/674590417.db2.gz GLCPYXKUAGTVPQ-ALXWSUNGSA-N -1 0 316.379 -0.266 20 0 DBADRM CN(Cc1nn(C)c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC000971177874 664120714 /nfs/dbraw/zinc/12/07/14/664120714.db2.gz QTTZUXKAPICINK-NWDGAFQWSA-N -1 0 323.397 -0.432 20 0 DBADRM Cc1c(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)nnn1C ZINC000971260869 664133953 /nfs/dbraw/zinc/13/39/53/664133953.db2.gz WCMZWTKHSXBYEZ-SECBINFHSA-N -1 0 320.357 -0.706 20 0 DBADRM CC(C)C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000971361048 664147693 /nfs/dbraw/zinc/14/76/93/664147693.db2.gz MZMJGEXJFULCAM-NXEZZACHSA-N -1 0 323.353 -0.595 20 0 DBADRM COc1cc(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC000971381184 664151836 /nfs/dbraw/zinc/15/18/36/664151836.db2.gz MWDWATJWHREZRN-MRVPVSSYSA-N -1 0 322.325 -0.147 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(C(=O)CS(=O)(=O)C2CC2)CC1 ZINC000910177242 674595838 /nfs/dbraw/zinc/59/58/38/674595838.db2.gz KCBOHZWIVUCAEL-UHFFFAOYSA-N -1 0 318.395 -0.429 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C1 ZINC000971431905 664169410 /nfs/dbraw/zinc/16/94/10/664169410.db2.gz FKOKRDROOGYXLH-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1ccnc(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000971438204 664174009 /nfs/dbraw/zinc/17/40/09/664174009.db2.gz FVOKKCGVFRQXIE-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000910195751 674596551 /nfs/dbraw/zinc/59/65/51/674596551.db2.gz NNFUUHVZCTXRRL-JTQLQIEISA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001021985515 664183490 /nfs/dbraw/zinc/18/34/90/664183490.db2.gz UOEOZSAZTUCGCE-HLTSFMKQSA-N -1 0 306.330 -0.900 20 0 DBADRM C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)N(C)C)C[C@@]1(C)C(=O)[O-] ZINC000910260056 674597710 /nfs/dbraw/zinc/59/77/10/674597710.db2.gz GKGFSTGIQDPYBW-BXKDBHETSA-N -1 0 321.399 -0.706 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3cncnc3)CC2)c1[O-] ZINC001011006985 664189352 /nfs/dbraw/zinc/18/93/52/664189352.db2.gz KIJBTIMBLKKQBP-UHFFFAOYSA-N -1 0 316.321 -0.188 20 0 DBADRM C[C@H](C(=O)NCC(=O)NCC(=O)[O-])N1CCc2ccccc21 ZINC000910333560 674602552 /nfs/dbraw/zinc/60/25/52/674602552.db2.gz BSWSGFUWPNNRIV-SNVBAGLBSA-N -1 0 305.334 -0.245 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC000971726588 664244149 /nfs/dbraw/zinc/24/41/49/664244149.db2.gz PKPOXWCLNBAQTI-QMMMGPOBSA-N -1 0 310.358 -0.946 20 0 DBADRM O=C(CCN=c1nn[n-]n1Cc1ccccc1)N1CCOCC1 ZINC000891678848 664247855 /nfs/dbraw/zinc/24/78/55/664247855.db2.gz XNLFQWKWZKXADN-UHFFFAOYSA-N -1 0 316.365 -0.196 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000971743898 664248583 /nfs/dbraw/zinc/24/85/83/664248583.db2.gz ZMOXDROXAAPLKZ-QMMMGPOBSA-N -1 0 321.341 -0.406 20 0 DBADRM CN(CCF)[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000971852629 664277440 /nfs/dbraw/zinc/27/74/40/664277440.db2.gz DIFLEXSBWYJRDF-VIFPVBQESA-N -1 0 313.333 -0.282 20 0 DBADRM Cc1nnccc1C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000971866258 664281403 /nfs/dbraw/zinc/28/14/03/664281403.db2.gz BOJPIEQHEZJZHQ-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM CC1(Cn2cc(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])nn2)COC1 ZINC000910442845 674606797 /nfs/dbraw/zinc/60/67/97/674606797.db2.gz ZDXCOKSQCIRJAQ-WPRPVWTQSA-N -1 0 312.301 -0.048 20 0 DBADRM CC(C)OC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000308768568 664289242 /nfs/dbraw/zinc/28/92/42/664289242.db2.gz KHOLWTUROXEMGH-UHFFFAOYSA-N -1 0 304.324 -0.047 20 0 DBADRM CCn1ncc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001038231907 664289261 /nfs/dbraw/zinc/28/92/61/664289261.db2.gz QVVCDHWKCQQUGU-MRVPVSSYSA-N -1 0 306.330 -0.874 20 0 DBADRM Cc1nnc(CC(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)[nH]1 ZINC000991263136 674610429 /nfs/dbraw/zinc/61/04/29/674610429.db2.gz FZCMBSDNEQUSNQ-UHFFFAOYSA-N -1 0 319.325 -0.966 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2csnn2)C1 ZINC000972026487 664315162 /nfs/dbraw/zinc/31/51/62/664315162.db2.gz LDUHSNJARBHKMO-SSDOTTSWSA-N -1 0 309.355 -0.292 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC000972038628 664317273 /nfs/dbraw/zinc/31/72/73/664317273.db2.gz CQVPMIOVMYSANI-LLVKDONJSA-N -1 0 319.369 -0.170 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cc[n+]([O-])cc1 ZINC001038042141 664321687 /nfs/dbraw/zinc/32/16/87/664321687.db2.gz HIPBOKLFMLUVPC-JTQLQIEISA-N -1 0 304.310 -0.852 20 0 DBADRM Cc1n[nH]cc1C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000972053815 664321909 /nfs/dbraw/zinc/32/19/09/664321909.db2.gz VGJYZTORRSVAMF-SECBINFHSA-N -1 0 305.342 -0.112 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)NC1CC(F)(F)C1 ZINC000910490929 674612072 /nfs/dbraw/zinc/61/20/72/674612072.db2.gz ZSISLDVDWJMRTN-UHFFFAOYSA-N -1 0 308.281 -0.150 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CS[C@@H](C)C1 ZINC000910490662 674612398 /nfs/dbraw/zinc/61/23/98/674612398.db2.gz XRJWAIZOFJGSAH-UWVGGRQHSA-N -1 0 318.395 -0.054 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)NC[C@H]1CCSC1 ZINC000910489361 674612460 /nfs/dbraw/zinc/61/24/60/674612460.db2.gz DZAFNQPEMPVOKN-SNVBAGLBSA-N -1 0 318.395 -0.195 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC000972131440 664337256 /nfs/dbraw/zinc/33/72/56/664337256.db2.gz ZMWLPPLXPULABI-UWVGGRQHSA-N -1 0 322.369 -0.979 20 0 DBADRM NS(=O)(=O)c1ccc(CCNC(=O)NCC(=O)[O-])cc1 ZINC000044414738 664340700 /nfs/dbraw/zinc/34/07/00/664340700.db2.gz DMNKNIQGBJLFRI-UHFFFAOYSA-N -1 0 301.324 -0.740 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1CC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000910519583 674613399 /nfs/dbraw/zinc/61/33/99/674613399.db2.gz CJKRPDKEPUWNGK-GYSYKLTISA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1C[C@H]3CCC[C@H]31)C2 ZINC000910496737 674614262 /nfs/dbraw/zinc/61/42/62/674614262.db2.gz NYPNXNKQIVTHOU-JXOGKFFTSA-N -1 0 322.361 -0.149 20 0 DBADRM CC(C)C(=O)N1CC[C@@]2(C1)CN(Cc1n[nH]c(=O)[n-]1)CCO2 ZINC000972264723 664358733 /nfs/dbraw/zinc/35/87/33/664358733.db2.gz KQMVVYCVKMFDJV-AWEZNQCLSA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(c1ncccc1O)N1CC[C@@]2(C1)CN(CCO)CCO2 ZINC000972355999 664374180 /nfs/dbraw/zinc/37/41/80/664374180.db2.gz SQKSNVHVLPBGDM-HNNXBMFYSA-N -1 0 307.350 -0.304 20 0 DBADRM Cc1nnsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 ZINC001022855381 664385314 /nfs/dbraw/zinc/38/53/14/664385314.db2.gz POADQAGHSRHEIS-PHDIDXHHSA-N -1 0 306.294 -0.587 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC3)C2)c1[O-] ZINC001022882866 664396868 /nfs/dbraw/zinc/39/68/68/664396868.db2.gz GXGXMDCPKXHWCL-NXEZZACHSA-N -1 0 308.338 -0.475 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C2)c1[O-] ZINC001022890005 664400409 /nfs/dbraw/zinc/40/04/09/664400409.db2.gz KLGFWPORAYAUII-HTQZYQBOSA-N -1 0 314.317 -0.527 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(F)F)C2)c1[O-] ZINC001022898697 664403246 /nfs/dbraw/zinc/40/32/46/664403246.db2.gz LGGUVAIEVNAYLL-RNFRBKRXSA-N -1 0 318.280 -0.620 20 0 DBADRM Cc1ccnn1CC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000972447638 664404897 /nfs/dbraw/zinc/40/48/97/664404897.db2.gz SQGWCERXLXPPRC-LLVKDONJSA-N -1 0 319.369 -0.252 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(C1)CN(Cc1n[nH]c(=O)[n-]1)CCO2 ZINC000972502719 664430749 /nfs/dbraw/zinc/43/07/49/664430749.db2.gz SRPDAFGWJHXOEU-HFAKWTLXSA-N -1 0 321.381 -0.030 20 0 DBADRM CO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2O)C1 ZINC001023079788 664438543 /nfs/dbraw/zinc/43/85/43/664438543.db2.gz CYICUVHLNHUAHW-UFGOTCBOSA-N -1 0 308.334 -0.271 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)c1[O-] ZINC001023124504 664448787 /nfs/dbraw/zinc/44/87/87/664448787.db2.gz DQLAKTDCVNPTAR-RKDXNWHRSA-N -1 0 321.293 -0.973 20 0 DBADRM C[C@H]1Oc2c(cccc2C(=O)NC[C@](C)(O)C(=O)[O-])NC1=O ZINC000262331073 664450609 /nfs/dbraw/zinc/45/06/09/664450609.db2.gz AXVUQBMMIVMLBO-UOWDBTKRSA-N -1 0 308.290 -0.029 20 0 DBADRM C[C@@](O)(CNC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)[O-] ZINC000262340944 664454379 /nfs/dbraw/zinc/45/43/79/664454379.db2.gz AIJIAYNCZSQZEA-QMTHXVAHSA-N -1 0 308.290 -0.272 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC12CCOCC2 ZINC000910756094 674639907 /nfs/dbraw/zinc/63/99/07/674639907.db2.gz BCIDPFARPFAGHS-WDEREUQCSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000910755910 674640026 /nfs/dbraw/zinc/64/00/26/674640026.db2.gz PZACDIHWYGAVGR-MEWQQHAOSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1CC(=O)[O-] ZINC000910857107 674648896 /nfs/dbraw/zinc/64/88/96/674648896.db2.gz LAHRLMYEPOWNOV-BBBLOLIVSA-N -1 0 304.368 -0.411 20 0 DBADRM CNC(=O)NCCNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000910891911 674651984 /nfs/dbraw/zinc/65/19/84/674651984.db2.gz FALIEEBKNHMWCQ-ZETCQYMHSA-N -1 0 312.292 -0.265 20 0 DBADRM O=C(NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cn[nH]c1 ZINC001023251635 664810592 /nfs/dbraw/zinc/81/05/92/664810592.db2.gz WBSVEBHNPIINAM-VIFPVBQESA-N -1 0 305.342 -0.125 20 0 DBADRM O=C(NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCOC1 ZINC001023263938 664812237 /nfs/dbraw/zinc/81/22/37/664812237.db2.gz DRZPRJYSCZOMLF-WDEREUQCSA-N -1 0 309.370 -0.125 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C=C3CCC3)C2)c1[O-] ZINC001023363148 664820728 /nfs/dbraw/zinc/82/07/28/664820728.db2.gz MCMJTJZCBZSJJY-GHMZBOCLSA-N -1 0 320.349 -0.164 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@H]2O)c1[O-] ZINC001023413501 664824506 /nfs/dbraw/zinc/82/45/06/664824506.db2.gz LOAOMLMNABEZCX-NXEZZACHSA-N -1 0 308.338 -0.475 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C(C)(C)C)C[C@H]2O)c1[O-] ZINC001023415373 664824977 /nfs/dbraw/zinc/82/49/77/664824977.db2.gz BJLRUQIEAIWQGR-RKDXNWHRSA-N -1 0 310.354 -0.229 20 0 DBADRM O=C(NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cn[nH]n1 ZINC001023457029 664827877 /nfs/dbraw/zinc/82/78/77/664827877.db2.gz FTTKZCGDMFPRKJ-QMMMGPOBSA-N -1 0 306.330 -0.730 20 0 DBADRM Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)N2CCCC2)c(=O)[nH]1 ZINC000052771492 664834077 /nfs/dbraw/zinc/83/40/77/664834077.db2.gz MOSOBKJWCPSNEJ-UHFFFAOYSA-N -1 0 314.367 -0.614 20 0 DBADRM O=C(NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1nnc[nH]1 ZINC001023657417 664847982 /nfs/dbraw/zinc/84/79/82/664847982.db2.gz PVPINQUCLFONJI-QMMMGPOBSA-N -1 0 306.330 -0.730 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000744239831 664851108 /nfs/dbraw/zinc/85/11/08/664851108.db2.gz XLXQPKNJVXNZPC-QMMMGPOBSA-N -1 0 303.340 -0.289 20 0 DBADRM O=C(NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001023709841 664851533 /nfs/dbraw/zinc/85/15/33/664851533.db2.gz CZBZOINTSDPWBW-ZJUUUORDSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@@H](CN(C)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)[O-] ZINC000263051384 664855729 /nfs/dbraw/zinc/85/57/29/664855729.db2.gz AABDQOBMMXVEOM-RMLUDKJBSA-N -1 0 311.338 -0.114 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@H]1C ZINC001011332394 664865626 /nfs/dbraw/zinc/86/56/26/664865626.db2.gz DKFLYUGJOBEMNH-LDYMZIIASA-N -1 0 303.322 -0.238 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ccn[nH]1 ZINC000972824649 664877001 /nfs/dbraw/zinc/87/70/01/664877001.db2.gz JTKOFHBUOCAUBJ-VIFPVBQESA-N -1 0 305.342 -0.126 20 0 DBADRM Cn1[nH]c(CN2C[C@@H](NC(=O)c3cocn3)C(C)(C)C2)nc1=O ZINC000972860891 664877845 /nfs/dbraw/zinc/87/78/45/664877845.db2.gz VDNBZEHUZMBWSG-SNVBAGLBSA-N -1 0 320.353 -0.263 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1C ZINC001011350826 664878804 /nfs/dbraw/zinc/87/88/04/664878804.db2.gz ZFWQLMRGOGXIET-IONNQARKSA-N -1 0 304.310 -0.843 20 0 DBADRM C[C@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001024532459 664894714 /nfs/dbraw/zinc/89/47/14/664894714.db2.gz GYTCKGCXEOQRON-DTWKUNHWSA-N -1 0 311.342 -0.752 20 0 DBADRM Cc1nc([N+](=O)[O-])cn1CC(=O)N[N-]C(=O)c1ccccn1 ZINC000065834119 664894743 /nfs/dbraw/zinc/89/47/43/664894743.db2.gz HOHVOEJTWRSQFT-UHFFFAOYSA-N -1 0 304.266 -0.044 20 0 DBADRM Cc1cnc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cn[nH]n3)C2)cn1 ZINC000947303615 664895499 /nfs/dbraw/zinc/89/54/99/664895499.db2.gz JVJRVHIHFRQGLK-PRHODGIISA-N -1 0 315.337 -0.206 20 0 DBADRM O=C(CC1CCCC1)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024543701 664896481 /nfs/dbraw/zinc/89/64/81/664896481.db2.gz RMYYAIYYEJACBP-VXGBXAGGSA-N -1 0 307.354 -0.314 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCO3)C2)c1[O-] ZINC000972941245 664901231 /nfs/dbraw/zinc/90/12/31/664901231.db2.gz VIMQQXMHRSSNKI-GUBZILKMSA-N -1 0 308.338 -0.020 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)c1[O-] ZINC001024846630 664922399 /nfs/dbraw/zinc/92/23/99/664922399.db2.gz AJKAKCNAPBLVTG-HTQZYQBOSA-N -1 0 321.293 -0.973 20 0 DBADRM O=C(N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccc[nH]1 ZINC000972962401 664928302 /nfs/dbraw/zinc/92/83/02/664928302.db2.gz BPLKGRVWQCRHQA-LJGSYFOKSA-N -1 0 318.293 -0.698 20 0 DBADRM CNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C(C)(C)C1 ZINC000973041758 664953068 /nfs/dbraw/zinc/95/30/68/664953068.db2.gz AFYZQALLBCTCQP-VHSXEESVSA-N -1 0 323.397 -0.002 20 0 DBADRM O=C(Cc1nnc[nH]1)N1CC[C@@H](NC(=O)c2ncccc2O)C1 ZINC000936165835 664962259 /nfs/dbraw/zinc/96/22/59/664962259.db2.gz TXTWEIDUBPEFDY-SECBINFHSA-N -1 0 316.321 -0.521 20 0 DBADRM O=C(N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1=CCCC1 ZINC000973160733 664998067 /nfs/dbraw/zinc/99/80/67/664998067.db2.gz QEJXDJZNRCNDCV-KYZUINATSA-N -1 0 319.321 -0.230 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c1[O-] ZINC000973179709 665000989 /nfs/dbraw/zinc/00/09/89/665000989.db2.gz HXEGPLJWPCYMDL-CIUDSAMLSA-N -1 0 321.337 -0.921 20 0 DBADRM CC(C)C(=O)N1CC([C@H](C)NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001006555242 665025797 /nfs/dbraw/zinc/02/57/97/665025797.db2.gz VVXSRTKKGRFAKV-VIFPVBQESA-N -1 0 322.365 -0.281 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973476752 665039941 /nfs/dbraw/zinc/03/99/41/665039941.db2.gz SPZIVCSOVJEKSK-FNCVBFRFSA-N -1 0 321.337 -0.294 20 0 DBADRM COCCCO[N-]C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000935967529 665050972 /nfs/dbraw/zinc/05/09/72/665050972.db2.gz YQPFWGSMKVJUHL-OLZOCXBDSA-N -1 0 302.371 -0.050 20 0 DBADRM Cc1n[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)c1[O-] ZINC000973597729 665053116 /nfs/dbraw/zinc/05/31/16/665053116.db2.gz GPEMGYROCAPJFL-CBLAIPOGSA-N -1 0 321.337 -0.839 20 0 DBADRM CC1(C)CO[C@@H](CC(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000892745468 665061561 /nfs/dbraw/zinc/06/15/61/665061561.db2.gz YOHCMVYKBVZKPF-JTQLQIEISA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@H](NC(=O)c1nnc[nH]1)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001025567371 665064233 /nfs/dbraw/zinc/06/42/33/665064233.db2.gz TTYQOBFJVCFBCD-DTWKUNHWSA-N -1 0 320.357 -0.341 20 0 DBADRM C[C@H](NC(=O)c1cnon1)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001025571144 665064262 /nfs/dbraw/zinc/06/42/62/665064262.db2.gz LXKZVEDKSFKIIY-DTWKUNHWSA-N -1 0 321.341 -0.076 20 0 DBADRM COCc1nc(N(C)C[C@@H](O)CN2CCOCC2)cc(=O)[nH]1 ZINC000892857272 665070424 /nfs/dbraw/zinc/07/04/24/665070424.db2.gz VGAFLNRZOQPEKC-LLVKDONJSA-N -1 0 312.370 -0.542 20 0 DBADRM CC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973737124 665074380 /nfs/dbraw/zinc/07/43/80/665074380.db2.gz HKVSVTSBTVJYDJ-GHMZBOCLSA-N -1 0 323.353 -0.451 20 0 DBADRM Cc1ncc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1C#N ZINC000314072584 665078309 /nfs/dbraw/zinc/07/83/09/665078309.db2.gz ZTQOKYJARIVZKB-MWLCHTKSSA-N -1 0 311.319 -0.530 20 0 DBADRM C[C@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001025758005 665083591 /nfs/dbraw/zinc/08/35/91/665083591.db2.gz NTGCAFVDNMCEMI-OQEOFVATSA-N -1 0 321.381 -0.128 20 0 DBADRM COC1(C(=O)[O-])CCN(S(=O)(=O)c2cnn(C)c2C)CC1 ZINC000314176643 665084565 /nfs/dbraw/zinc/08/45/65/665084565.db2.gz PKABLVAXQQFHHU-UHFFFAOYSA-N -1 0 317.367 -0.017 20 0 DBADRM CC(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C12CCC2 ZINC001025828239 665092114 /nfs/dbraw/zinc/09/21/14/665092114.db2.gz QUMOKEUNHOGZMF-YUMQZZPRSA-N -1 0 307.310 -0.540 20 0 DBADRM COc1ccc(CC(=O)NCC(=O)NCC(=O)[O-])cc1OC ZINC000314256367 665092726 /nfs/dbraw/zinc/09/27/26/665092726.db2.gz RNZCMWYMKCNEES-UHFFFAOYSA-N -1 0 310.306 -0.437 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@]1(OC)CCSC1 ZINC000893003875 665103469 /nfs/dbraw/zinc/10/34/69/665103469.db2.gz ZENYIRGAZLYZRM-JTQLQIEISA-N -1 0 311.381 -0.482 20 0 DBADRM O=C(N[C@H]1C[C@@H](NC(=O)C2CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000973786181 665110081 /nfs/dbraw/zinc/11/00/81/665110081.db2.gz XXAQQLIXUSYMSA-OCAPTIKFSA-N -1 0 307.310 -0.540 20 0 DBADRM O=C(CC1CC1)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973793523 665114966 /nfs/dbraw/zinc/11/49/66/665114966.db2.gz LTLFOXKRSVTEIM-OCAPTIKFSA-N -1 0 307.310 -0.540 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCO1 ZINC001026125593 665125277 /nfs/dbraw/zinc/12/52/77/665125277.db2.gz GAMKZOCPIJAGTJ-YFVNTRNASA-N -1 0 321.381 -0.128 20 0 DBADRM O=C(C=C1CCC1)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000974014976 665156439 /nfs/dbraw/zinc/15/64/39/665156439.db2.gz PZPSINGESUYODU-DTORHVGOSA-N -1 0 319.321 -0.230 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccn(C)n3)C2)c1[O-] ZINC000974032852 665158383 /nfs/dbraw/zinc/15/83/83/665158383.db2.gz NZHRCKUPACWRIJ-DTORHVGOSA-N -1 0 318.337 -0.152 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnn(C)n3)C2)c1[O-] ZINC000974039078 665159455 /nfs/dbraw/zinc/15/94/55/665159455.db2.gz LOIKCOPXSAOBBA-OCAPTIKFSA-N -1 0 319.325 -0.757 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnccn1 ZINC001006614513 665161347 /nfs/dbraw/zinc/16/13/47/665161347.db2.gz LRWBIMHHTSFECJ-SECBINFHSA-N -1 0 303.326 -0.305 20 0 DBADRM CCCC(=O)N1CC[C@@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000936395375 665172959 /nfs/dbraw/zinc/17/29/59/665172959.db2.gz UASSPHLMBPCAID-SNVBAGLBSA-N -1 0 322.365 -0.041 20 0 DBADRM CC1(C(=O)N[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000974212549 665179145 /nfs/dbraw/zinc/17/91/45/665179145.db2.gz SJZUCTWNRNXHOQ-KNVOCYPGSA-N -1 0 307.310 -0.540 20 0 DBADRM CC1(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000974218292 665180129 /nfs/dbraw/zinc/18/01/29/665180129.db2.gz IEGKZJQSSSRLAC-OCAPTIKFSA-N -1 0 309.326 -0.747 20 0 DBADRM Cc1ncn(C)c1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038367512 665182202 /nfs/dbraw/zinc/18/22/02/665182202.db2.gz PXBHJQMJYULODW-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM CCn1cc(CC(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)nn1 ZINC000974297351 665188253 /nfs/dbraw/zinc/18/82/53/665188253.db2.gz KPVGVZZCBDLEBQ-DTORHVGOSA-N -1 0 318.341 -0.964 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001026783702 665226447 /nfs/dbraw/zinc/22/64/47/665226447.db2.gz KKKHRWVTIQCXOP-MRVPVSSYSA-N -1 0 321.341 -0.501 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CC2(C)C)n1 ZINC000974564732 665233088 /nfs/dbraw/zinc/23/30/88/665233088.db2.gz WHMUMCUVFQHVTD-QMMMGPOBSA-N -1 0 320.357 -0.721 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001027003091 665253327 /nfs/dbraw/zinc/25/33/27/665253327.db2.gz LTIJVHSJHXGRKL-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000866894113 665254282 /nfs/dbraw/zinc/25/42/82/665254282.db2.gz WOYUDKIWCXDIQF-ORFOVLKQSA-N -1 0 323.440 -0.052 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)CC1=O ZINC000866894072 665254342 /nfs/dbraw/zinc/25/43/42/665254342.db2.gz VZWGTLDCLREMRC-VGMNWLOBSA-N -1 0 309.413 -0.442 20 0 DBADRM O=C(NC[C@@H]1CCCN(C(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000975421040 665279611 /nfs/dbraw/zinc/27/96/11/665279611.db2.gz WWWHWMFKDMOMKP-QMMMGPOBSA-N -1 0 321.337 -0.339 20 0 DBADRM CC(=O)N1CCC[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000975438351 665280310 /nfs/dbraw/zinc/28/03/10/665280310.db2.gz QQKYRRYWFCZNMS-JTQLQIEISA-N -1 0 308.338 -0.526 20 0 DBADRM CCN(C(=O)c1nccc(C)n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949990860 665311385 /nfs/dbraw/zinc/31/13/85/665311385.db2.gz AYJBSQITHKTSAO-UHFFFAOYSA-N -1 0 317.353 -0.045 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000976103655 665325094 /nfs/dbraw/zinc/32/50/94/665325094.db2.gz XRILMANNZRKPPI-OAHBRNHXSA-N -1 0 319.321 -0.875 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC001027326969 665342238 /nfs/dbraw/zinc/34/22/38/665342238.db2.gz GEIKOLCSKXQCPY-SNVBAGLBSA-N -1 0 319.369 -0.020 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001027404544 665381884 /nfs/dbraw/zinc/38/18/84/665381884.db2.gz BZFJKPOWJVFOPI-SECBINFHSA-N -1 0 305.342 -0.030 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCOC3)C[C@H]21)c1cn[nH]n1 ZINC000976798352 665392426 /nfs/dbraw/zinc/39/24/26/665392426.db2.gz FIECEAHSIDRSFE-SVDPJWKOSA-N -1 0 305.338 -0.582 20 0 DBADRM CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000976893673 665401682 /nfs/dbraw/zinc/40/16/82/665401682.db2.gz SODYZWCHNXMACQ-JIGDXULJSA-N -1 0 321.337 -0.485 20 0 DBADRM C/C=C(\C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000976890373 665403249 /nfs/dbraw/zinc/40/32/49/665403249.db2.gz DXJJPPKEQZYOBC-CNSKZANRSA-N -1 0 319.321 -0.564 20 0 DBADRM CC[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000976888321 665403349 /nfs/dbraw/zinc/40/33/49/665403349.db2.gz GSQKIUSACDQSJV-RBXMUDONSA-N -1 0 321.337 -0.485 20 0 DBADRM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000976890196 665403357 /nfs/dbraw/zinc/40/33/57/665403357.db2.gz AHXCXTPRXUIADP-JIGDXULJSA-N -1 0 319.321 -0.731 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000976888267 665403386 /nfs/dbraw/zinc/40/33/86/665403386.db2.gz FPDKWKSRZNEAOD-OAHBRNHXSA-N -1 0 319.321 -0.875 20 0 DBADRM C[C@@H]1CO[C@@H](C(=O)N(CCN2CCOCC2)CC(=O)[O-])C1 ZINC000911366023 674714239 /nfs/dbraw/zinc/71/42/39/674714239.db2.gz REGFSZZMKVAWBS-NWDGAFQWSA-N -1 0 300.355 -0.343 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](OCCO)C2)O[C@H]1C(=O)[O-] ZINC000911362457 674710051 /nfs/dbraw/zinc/71/00/51/674710051.db2.gz JYDMNSDPAMGVLQ-DDHJBXDOSA-N -1 0 301.339 -0.136 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC[C@@H](OCCO)C2)CCOCC1 ZINC000911362802 674710157 /nfs/dbraw/zinc/71/01/57/674710157.db2.gz OYLXHOGHEPAMPN-LLVKDONJSA-N -1 0 301.339 -0.132 20 0 DBADRM COC1(CO)CCN(C(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)CC1 ZINC000911427428 674721220 /nfs/dbraw/zinc/72/12/20/674721220.db2.gz DYJPMDSACRYNFR-DCAQKATOSA-N -1 0 301.339 -0.136 20 0 DBADRM CC(C)CN1C[C@H](C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])CC1=O ZINC000911641312 674742454 /nfs/dbraw/zinc/74/24/54/674742454.db2.gz AQQDUMDWPIQFJV-WZRBSPASSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1C(=O)c1c[n-]n2c1nccc2=O ZINC000911807031 674747548 /nfs/dbraw/zinc/74/75/48/674747548.db2.gz SXRHGHTXDSMLFF-XHNCKOQMSA-N -1 0 303.322 -0.240 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC(N2CCOCC2)C1 ZINC000911636109 674743563 /nfs/dbraw/zinc/74/35/63/674743563.db2.gz DXZLNNZBCBGVRW-UHFFFAOYSA-N -1 0 323.315 -0.014 20 0 DBADRM CCCN(C(=O)CN(C)S(=O)(=O)N(C)C)[C@H](C)C(=O)[O-] ZINC000911706995 674745845 /nfs/dbraw/zinc/74/58/45/674745845.db2.gz IQFBCCQRCYWETB-SECBINFHSA-N -1 0 309.388 -0.564 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC001011737486 674762472 /nfs/dbraw/zinc/76/24/72/674762472.db2.gz CLQVDDDZHIVLRO-QMMMGPOBSA-N -1 0 319.321 -0.633 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C(C)C)C[C@@H]2O)c1[O-] ZINC000991385872 674772497 /nfs/dbraw/zinc/77/24/97/674772497.db2.gz GMCVSEPWTSOYGD-ZJUUUORDSA-N -1 0 310.354 -0.229 20 0 DBADRM CCCC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC000991388539 674775438 /nfs/dbraw/zinc/77/54/38/674775438.db2.gz LBXVQBORDBIQFN-NXEZZACHSA-N -1 0 310.354 -0.085 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C ZINC000912562549 674775878 /nfs/dbraw/zinc/77/58/78/674775878.db2.gz HTTNTBVYVUJUGH-ZETCQYMHSA-N -1 0 305.312 -0.416 20 0 DBADRM CC[C@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)OC)C(=O)[O-] ZINC000912558159 674777149 /nfs/dbraw/zinc/77/71/49/674777149.db2.gz KPNQXFJVONCZSB-LURJTMIESA-N -1 0 305.312 -0.354 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(OC)ncn1 ZINC000912559005 674777298 /nfs/dbraw/zinc/77/72/98/674777298.db2.gz WCCVNZUDZOFONH-UHFFFAOYSA-N -1 0 313.295 -0.204 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000912558218 674777327 /nfs/dbraw/zinc/77/73/27/674777327.db2.gz MNQLEUGCFUTXHC-NSHDSACASA-N -1 0 317.323 -0.176 20 0 DBADRM CC[C@@](C)(CNS(=O)(=O)c1n[nH]cc1C(=O)OC)C(=O)[O-] ZINC000912559180 674777583 /nfs/dbraw/zinc/77/75/83/674777583.db2.gz UEVKPNOXJYBPEZ-NSHDSACASA-N -1 0 319.339 -0.025 20 0 DBADRM Cc1cccc(CO[N-]C(=O)CN(C)S(=O)(=O)N(C)C)n1 ZINC000912628964 674781124 /nfs/dbraw/zinc/78/11/24/674781124.db2.gz ILNPXUCJTQAMKL-UHFFFAOYSA-N -1 0 316.383 -0.324 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C3CCC3)C[C@@H]2O)c1[O-] ZINC000991396647 674783697 /nfs/dbraw/zinc/78/36/97/674783697.db2.gz WOMWTKBCJKUVKY-MNOVXSKESA-N -1 0 322.365 -0.085 20 0 DBADRM O=C(NC[C@@]1(CO)COCCN1)c1c(F)ccc(O)c1F ZINC000913181538 674792222 /nfs/dbraw/zinc/79/22/22/674792222.db2.gz LQGKSFORGIUOEZ-CYBMUJFWSA-N -1 0 302.277 -0.249 20 0 DBADRM O=C(NC[C@]1(CO)COCCN1)c1cc(F)c(F)c([O-])c1F ZINC000913183981 674793281 /nfs/dbraw/zinc/79/32/81/674793281.db2.gz WYTLMPGJYACCQR-ZDUSSCGKSA-N -1 0 320.267 -0.110 20 0 DBADRM O=C([C@H]1CSCCS1)N1CCOC[C@H]1c1nnn[n-]1 ZINC000913495584 674801095 /nfs/dbraw/zinc/80/10/95/674801095.db2.gz LNDZNLQLKOQVDA-JGVFFNPUSA-N -1 0 301.397 -0.052 20 0 DBADRM COC(=O)CNC(=O)c1ccc(NC(=O)COCC(=O)[O-])cc1 ZINC000055041892 674805262 /nfs/dbraw/zinc/80/52/62/674805262.db2.gz YVPONMNMMLVWBX-UHFFFAOYSA-N -1 0 324.289 -0.371 20 0 DBADRM O=C([N-]NC(=O)[C@@H]1COc2ccccc2O1)c1cccc[n+]1[O-] ZINC000044872703 674806870 /nfs/dbraw/zinc/80/68/70/674806870.db2.gz UTYYHVSWXKZVAX-ZDUSSCGKSA-N -1 0 315.285 -0.079 20 0 DBADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)CCS(C)(=O)=O ZINC000164894927 674811195 /nfs/dbraw/zinc/81/11/95/674811195.db2.gz UDRDGWYZIWKYFD-WPRPVWTQSA-N -1 0 313.397 -0.406 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)[C@@H]1CC12CCC2 ZINC000991540462 674811891 /nfs/dbraw/zinc/81/18/91/674811891.db2.gz VFRJVZSGIMICLD-QMMMGPOBSA-N -1 0 319.321 -0.586 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001030076128 674818637 /nfs/dbraw/zinc/81/86/37/674818637.db2.gz WVRAGZDQKGOZSX-CABZTGNLSA-N -1 0 301.350 -0.021 20 0 DBADRM C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)CCS(C)(=O)=O ZINC000224414943 674828286 /nfs/dbraw/zinc/82/82/86/674828286.db2.gz ONUIHTRHVBZNNW-NKWVEPMBSA-N -1 0 317.410 -0.791 20 0 DBADRM C/C(=C\C(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1)C1CC1 ZINC000991604365 674842907 /nfs/dbraw/zinc/84/29/07/674842907.db2.gz SRYXZIMKOMNCLE-RMUNVQARSA-N -1 0 319.365 -0.147 20 0 DBADRM Cn1[nH]c(CN2CC(NC(=O)C3CC(F)(F)C3)C2)nc1=O ZINC001030199048 674842965 /nfs/dbraw/zinc/84/29/65/674842965.db2.gz VJDZUIDJJLFWRH-UHFFFAOYSA-N -1 0 301.297 -0.546 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2cscn2)C[C@H]1O)c1cn[nH]n1 ZINC000991604354 674842975 /nfs/dbraw/zinc/84/29/75/674842975.db2.gz SOYSYOBTIVOVRH-GMSGAONNSA-N -1 0 322.350 -0.733 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2ccoc2)C[C@@H]1O)c1cn[nH]n1 ZINC000991606314 674843596 /nfs/dbraw/zinc/84/35/96/674843596.db2.gz YBMMQIIXSWCGJI-ONGXEEELSA-N -1 0 305.294 -0.597 20 0 DBADRM Cc1coc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)[C@H](O)C2)c1 ZINC000991606158 674843628 /nfs/dbraw/zinc/84/36/28/674843628.db2.gz XWLKGDXYDWRUSV-MWLCHTKSSA-N -1 0 319.321 -0.288 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C[C@H]3CCc4ncnn43)C2)c1[O-] ZINC001030222431 674846910 /nfs/dbraw/zinc/84/69/10/674846910.db2.gz OPIYVUJKNOFFEO-SNVBAGLBSA-N -1 0 317.353 -0.383 20 0 DBADRM CCc1noc(CN2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001030222082 674847035 /nfs/dbraw/zinc/84/70/35/674847035.db2.gz FCNJPLSGDZGBEC-UHFFFAOYSA-N -1 0 306.326 -0.017 20 0 DBADRM CCn1ncnc1CN1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001030224843 674847159 /nfs/dbraw/zinc/84/71/59/674847159.db2.gz PGCLFERZAUBRAW-UHFFFAOYSA-N -1 0 305.342 -0.351 20 0 DBADRM CC(C)c1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001030291208 674859179 /nfs/dbraw/zinc/85/91/79/674859179.db2.gz PLBXZSOYVCAFPI-UHFFFAOYSA-N -1 0 319.369 -0.019 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000991661275 674860755 /nfs/dbraw/zinc/86/07/55/674860755.db2.gz JAXPXMVFKCOSKQ-WPRPVWTQSA-N -1 0 315.333 -0.381 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)CCO1 ZINC000167962015 674865797 /nfs/dbraw/zinc/86/57/97/674865797.db2.gz ZKBBSIMZEOABPY-VHSXEESVSA-N -1 0 305.352 -0.344 20 0 DBADRM COc1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)sn1 ZINC001030332608 674866401 /nfs/dbraw/zinc/86/64/01/674866401.db2.gz NTBSLHADWSNLBF-UHFFFAOYSA-N -1 0 310.339 -0.410 20 0 DBADRM Cn1nc(C2CC2)cc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030385647 674875448 /nfs/dbraw/zinc/87/54/48/674875448.db2.gz KYTDVOVVUOUXEA-UHFFFAOYSA-N -1 0 317.353 -0.265 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc(C2CC2)o1 ZINC001030459553 674892248 /nfs/dbraw/zinc/89/22/48/674892248.db2.gz BHZXRJGVSVQBFT-UHFFFAOYSA-N -1 0 304.310 -0.010 20 0 DBADRM CCc1c[nH]c(CC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001030468039 674893724 /nfs/dbraw/zinc/89/37/24/674893724.db2.gz IXIMZYVVNOHXMP-UHFFFAOYSA-N -1 0 305.342 -0.661 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)CC1=O ZINC000842333953 674895449 /nfs/dbraw/zinc/89/54/49/674895449.db2.gz MLDHXZVESAQRRD-DTWKUNHWSA-N -1 0 320.367 -0.748 20 0 DBADRM CCOc1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001030502158 674897563 /nfs/dbraw/zinc/89/75/63/674897563.db2.gz PPOQEUHAFVPYLI-UHFFFAOYSA-N -1 0 307.314 -0.754 20 0 DBADRM CC(C)C(=O)N(C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000953756852 674901630 /nfs/dbraw/zinc/90/16/30/674901630.db2.gz BBZOTSLQKHWVBC-UHFFFAOYSA-N -1 0 308.338 -0.575 20 0 DBADRM CC[C@@H](CNC(=O)CSCC(=O)N1CCOCC1)C(=O)[O-] ZINC000087481744 674901090 /nfs/dbraw/zinc/90/10/90/674901090.db2.gz OZAQPACXMUQHQE-JTQLQIEISA-N -1 0 318.395 -0.195 20 0 DBADRM O=C(Cn1cc(C2CC2)cn1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030569856 674905629 /nfs/dbraw/zinc/90/56/29/674905629.db2.gz MFVCQBJWWSNQBP-UHFFFAOYSA-N -1 0 317.353 -0.415 20 0 DBADRM C[S@@](=O)CCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000229193062 674907567 /nfs/dbraw/zinc/90/75/67/674907567.db2.gz GRIZOPYLPLSXDH-GOSISDBHSA-N -1 0 309.369 -0.985 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cccn2nccc12 ZINC001030610793 674912169 /nfs/dbraw/zinc/91/21/69/674912169.db2.gz WWBPRMFBOWZZNR-UHFFFAOYSA-N -1 0 313.321 -0.228 20 0 DBADRM Cc1nnc([C@@H](C)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001030618819 674913697 /nfs/dbraw/zinc/91/36/97/674913697.db2.gz VUCVSUXHIXNOPT-RXMQYKEDSA-N -1 0 321.297 -0.851 20 0 DBADRM COCCN1CC(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC001030624701 674914569 /nfs/dbraw/zinc/91/45/69/674914569.db2.gz RVKSRQYXORDGLH-UHFFFAOYSA-N -1 0 310.398 -0.178 20 0 DBADRM Cc1cc(C)n(CC(=O)N[N-]C(=O)c2ccc(C(N)=O)cn2)n1 ZINC000063536201 674922299 /nfs/dbraw/zinc/92/22/99/674922299.db2.gz OEALXCPVZSMPJH-UHFFFAOYSA-N -1 0 316.321 -0.545 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2cnsn2)c1[O-] ZINC000948908092 674924270 /nfs/dbraw/zinc/92/42/70/674924270.db2.gz KJRULHOYQKHFAA-SSDOTTSWSA-N -1 0 322.350 -0.080 20 0 DBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)C(N)=O ZINC000035237094 674927253 /nfs/dbraw/zinc/92/72/53/674927253.db2.gz YRKKLAXVUGZXFW-ZCFIWIBFSA-N -1 0 302.308 -0.449 20 0 DBADRM CC(C)n1ccc(CC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001030710880 674929442 /nfs/dbraw/zinc/92/94/42/674929442.db2.gz RJLVCUVXIFGHTI-UHFFFAOYSA-N -1 0 319.369 -0.169 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CC(NC(=O)c3cn[nH]n3)C2)c1[O-] ZINC000992025301 674932898 /nfs/dbraw/zinc/93/28/98/674932898.db2.gz ABGMTHATHNXLDZ-UHFFFAOYSA-N -1 0 319.325 -0.520 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn2cccnc12 ZINC001030776093 674949418 /nfs/dbraw/zinc/94/94/18/674949418.db2.gz OQAZIRYNCSPHCP-UHFFFAOYSA-N -1 0 314.309 -0.833 20 0 DBADRM C[C@@H]1CC[C@@H](CN2CC(NC(=O)c3cnc([O-])n(C)c3=O)C2)O1 ZINC001030780467 674951613 /nfs/dbraw/zinc/95/16/13/674951613.db2.gz YVBVLZPNOPDLSU-KOLCDFICSA-N -1 0 322.365 -0.533 20 0 DBADRM Cc1ncc(CN2CC(NC(=O)c3cnc([O-])n(C)c3=O)C2)o1 ZINC001030779403 674951044 /nfs/dbraw/zinc/95/10/44/674951044.db2.gz XYBQLFHBSHACCQ-UHFFFAOYSA-N -1 0 319.321 -0.603 20 0 DBADRM COc1cccnc1CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030848341 674977713 /nfs/dbraw/zinc/97/77/13/674977713.db2.gz YWEQPACPGMKZCG-UHFFFAOYSA-N -1 0 318.337 -0.543 20 0 DBADRM CC(C)(C)C(=O)NC1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000992248807 674978114 /nfs/dbraw/zinc/97/81/14/674978114.db2.gz AMVRZCWTRMMZOE-UHFFFAOYSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCc2cccnc21 ZINC001030858724 674980512 /nfs/dbraw/zinc/98/05/12/674980512.db2.gz FJEFXVMARZRLGO-LLVKDONJSA-N -1 0 314.349 -0.064 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCc2nn[nH]c21 ZINC001030859960 674980897 /nfs/dbraw/zinc/98/08/97/674980897.db2.gz RZYIVSOPMYUFBI-QMMMGPOBSA-N -1 0 318.341 -0.951 20 0 DBADRM CN(C)[C@H](C(=O)N1CCC(c2nnn[n-]2)CC1)c1cncn1C ZINC000913744971 675002060 /nfs/dbraw/zinc/00/20/60/675002060.db2.gz MODDGLUHBDBWMR-LBPRGKRZSA-N -1 0 318.385 -0.058 20 0 DBADRM CC(=O)N1C[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@]2(C)C1 ZINC000992455833 675001582 /nfs/dbraw/zinc/00/15/82/675001582.db2.gz AKYPIQSFTMCXTP-ZUZCIYMTSA-N -1 0 320.349 -0.574 20 0 DBADRM O=C(N1CCC(c2nnn[n-]2)CC1)[C@]12CCC(=O)N1CCS2 ZINC000913742433 675001665 /nfs/dbraw/zinc/00/16/65/675001665.db2.gz CELIACTYESYAMI-CYBMUJFWSA-N -1 0 322.394 -0.029 20 0 DBADRM COC(=O)c1coc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1 ZINC000760218229 675008843 /nfs/dbraw/zinc/00/88/43/675008843.db2.gz JPIOLIPJIUBGRW-QMMMGPOBSA-N -1 0 303.292 -0.085 20 0 DBADRM COc1cc(=O)[nH]cc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030974793 675016175 /nfs/dbraw/zinc/01/61/75/675016175.db2.gz LWUNZNUYIZQYTG-UHFFFAOYSA-N -1 0 320.309 -0.766 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3nncn3C)C2)c1[O-] ZINC001007122233 675025091 /nfs/dbraw/zinc/02/50/91/675025091.db2.gz QTTRPVYUSMVSSL-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM CCCN1C[C@@H](C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001031028904 675025624 /nfs/dbraw/zinc/02/56/24/675025624.db2.gz WQNDQJHUEWIWEY-VIFPVBQESA-N -1 0 322.369 -0.931 20 0 DBADRM NC(=O)CN1CC(NC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC001031034833 675027083 /nfs/dbraw/zinc/02/70/83/675027083.db2.gz GIQFHMUUWWUHKZ-UHFFFAOYSA-N -1 0 301.306 -0.765 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001031039086 675028449 /nfs/dbraw/zinc/02/84/49/675028449.db2.gz WYFMHOHUEKAMTC-RKDXNWHRSA-N -1 0 322.369 -0.898 20 0 DBADRM COc1ncc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)s1 ZINC000914274646 675029698 /nfs/dbraw/zinc/02/96/98/675029698.db2.gz QSFZLKWUXTYPIN-SECBINFHSA-N -1 0 318.424 -0.570 20 0 DBADRM CNC(=O)C1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCCC1 ZINC000730541640 675039205 /nfs/dbraw/zinc/03/92/05/675039205.db2.gz ORGZPJJTFLEEEU-UHFFFAOYSA-N -1 0 318.337 -0.754 20 0 DBADRM CC[C@H](CN1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1)OC ZINC001031068872 675036207 /nfs/dbraw/zinc/03/62/07/675036207.db2.gz OEDMSXAXXLYQPK-LLVKDONJSA-N -1 0 319.365 -0.138 20 0 DBADRM CN(CC(=O)NC(C)(C)C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730518111 675036322 /nfs/dbraw/zinc/03/63/22/675036322.db2.gz BWZPIWBWORNAHI-UHFFFAOYSA-N -1 0 320.353 -0.556 20 0 DBADRM COc1ncccc1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730524686 675036335 /nfs/dbraw/zinc/03/63/35/675036335.db2.gz UVJXKTLNBJZUQT-UHFFFAOYSA-N -1 0 314.305 -0.209 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cccc2c1C(=O)NC2 ZINC000730520200 675036347 /nfs/dbraw/zinc/03/63/47/675036347.db2.gz IPVJZUWWTIKNIA-UHFFFAOYSA-N -1 0 324.300 -0.047 20 0 DBADRM COC(=O)CCCN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730528600 675036582 /nfs/dbraw/zinc/03/65/82/675036582.db2.gz TZGKZJPYRANEPP-UHFFFAOYSA-N -1 0 307.310 -0.517 20 0 DBADRM CC(C)CN1CC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001031116289 675041102 /nfs/dbraw/zinc/04/11/02/675041102.db2.gz KDLUALIMEOPNEL-UHFFFAOYSA-N -1 0 304.354 -0.472 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC1CN(CC2CCC2)C1 ZINC001031116165 675041164 /nfs/dbraw/zinc/04/11/64/675041164.db2.gz DQLNZGZYFUOFDK-UHFFFAOYSA-N -1 0 316.365 -0.328 20 0 DBADRM CC(C)[C@H](C)NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730659209 675045677 /nfs/dbraw/zinc/04/56/77/675045677.db2.gz SCCYAJTZZSPDNZ-VIFPVBQESA-N -1 0 321.337 -0.225 20 0 DBADRM COC(=O)C(C)(C)N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000731006809 675056441 /nfs/dbraw/zinc/05/64/41/675056441.db2.gz YUMYUQHJRJPXQR-UHFFFAOYSA-N -1 0 307.310 -0.519 20 0 DBADRM CCc1c[nH]c(=O)c(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001031181710 675057199 /nfs/dbraw/zinc/05/71/99/675057199.db2.gz YGRGPMICINVRRR-UHFFFAOYSA-N -1 0 318.337 -0.213 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cc2cc[nH]n2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993152037 675058424 /nfs/dbraw/zinc/05/84/24/675058424.db2.gz UWEBZQYBMFFBHN-GXSJLCMTSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993152040 675058430 /nfs/dbraw/zinc/05/84/30/675058430.db2.gz UWEBZQYBMFFBHN-ONGXEEELSA-N -1 0 319.369 -0.055 20 0 DBADRM CN(C(=O)c1cnc[nH]c1=O)[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000936874889 670515576 /nfs/dbraw/zinc/51/55/76/670515576.db2.gz VJWZWSJLNPBOSN-MNOVXSKESA-N -1 0 320.349 -0.108 20 0 DBADRM O=C(CC1CC1)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982349903 670515972 /nfs/dbraw/zinc/51/59/72/670515972.db2.gz UBQMWJQBCQZECD-VIFPVBQESA-N -1 0 321.337 -0.339 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccnc(S(N)(=O)=O)c1 ZINC000653344765 670651072 /nfs/dbraw/zinc/65/10/72/670651072.db2.gz CGWFFGZEEFUFTQ-QMMMGPOBSA-N -1 0 301.324 -0.336 20 0 DBADRM Cc1nnsc1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028400817 670734444 /nfs/dbraw/zinc/73/44/44/670734444.db2.gz WSJSXJJVQQYOTO-QMMMGPOBSA-N -1 0 323.382 -0.078 20 0 DBADRM Cn1nc(CN2CC[C@@H](CNC(=O)c3ccon3)C2)[n-]c1=O ZINC001028425767 670743625 /nfs/dbraw/zinc/74/36/25/670743625.db2.gz RCMGHUJWILQBCL-VIFPVBQESA-N -1 0 306.326 -0.652 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnns1 ZINC001028427703 670747861 /nfs/dbraw/zinc/74/78/61/670747861.db2.gz HZJMDQKAYKXGOE-ZETCQYMHSA-N -1 0 309.355 -0.386 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnsn1 ZINC001028426821 670750308 /nfs/dbraw/zinc/75/03/08/670750308.db2.gz PWAGBLPXZLHVHX-SSDOTTSWSA-N -1 0 309.355 -0.386 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnsn1 ZINC001028426822 670751313 /nfs/dbraw/zinc/75/13/13/670751313.db2.gz PWAGBLPXZLHVHX-ZETCQYMHSA-N -1 0 309.355 -0.386 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001028432694 670753292 /nfs/dbraw/zinc/75/32/92/670753292.db2.gz HZJVKSMSOUPAMS-JTQLQIEISA-N -1 0 319.369 -0.196 20 0 DBADRM Cn1nccc1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028438308 670761496 /nfs/dbraw/zinc/76/14/96/670761496.db2.gz KRISZSZIEGPILU-SECBINFHSA-N -1 0 305.342 -0.504 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)C(=O)c3nc[nH]n3)C2)c1[O-] ZINC000937161448 670802720 /nfs/dbraw/zinc/80/27/20/670802720.db2.gz JEXCZSPYDIZMCV-MRVPVSSYSA-N -1 0 319.325 -0.471 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN(Cc3ncnn3C)C2)c1[O-] ZINC001028484856 670807364 /nfs/dbraw/zinc/80/73/64/670807364.db2.gz DZVKHNAYEOQLMJ-SNVBAGLBSA-N -1 0 319.369 -0.196 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN(Cc3cnn(C)n3)C2)c1[O-] ZINC001028485201 670807644 /nfs/dbraw/zinc/80/76/44/670807644.db2.gz MOEWYEOEBMWZLA-JTQLQIEISA-N -1 0 319.369 -0.196 20 0 DBADRM O=C(NC[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1)c1ncccc1[O-] ZINC001028500900 670816971 /nfs/dbraw/zinc/81/69/71/670816971.db2.gz SVDICEDDECINBI-SECBINFHSA-N -1 0 318.337 -0.137 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982627283 670832169 /nfs/dbraw/zinc/83/21/69/670832169.db2.gz WEKKCIKLZIEZNX-CHDHTGKKSA-N -1 0 321.337 -0.173 20 0 DBADRM CCS(=O)(=O)CCNC(=O)C(=O)[N-]OC1CCCCC1 ZINC000804546656 670832277 /nfs/dbraw/zinc/83/22/77/670832277.db2.gz QKKJRNNVFAZXIV-UHFFFAOYSA-N -1 0 306.384 -0.082 20 0 DBADRM Cc1c[nH]nc1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028533261 670833007 /nfs/dbraw/zinc/83/30/07/670833007.db2.gz KMBBEPBHKWOSSC-VIFPVBQESA-N -1 0 305.342 -0.206 20 0 DBADRM O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000732287555 677353158 /nfs/dbraw/zinc/35/31/58/677353158.db2.gz XEILHYVNFGXBBQ-MRVPVSSYSA-N -1 0 307.335 -0.052 20 0 DBADRM O=C(Cn1ccccc1=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000726351198 670869622 /nfs/dbraw/zinc/86/96/22/670869622.db2.gz OOUHZRGILAZBRN-NSHDSACASA-N -1 0 314.363 -0.137 20 0 DBADRM CC1(C(=O)N2CC[C@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000982847989 670889412 /nfs/dbraw/zinc/88/94/12/670889412.db2.gz BYJKIAJMJLRKOH-MRVPVSSYSA-N -1 0 321.337 -0.339 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983033263 670930398 /nfs/dbraw/zinc/93/03/98/670930398.db2.gz AULAHXFIFICCMH-IWSPIJDZSA-N -1 0 321.337 -0.483 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](CNC(=O)C2CC2)C1 ZINC000983061393 670937094 /nfs/dbraw/zinc/93/70/94/670937094.db2.gz LOGASJZOROYZPG-QMMMGPOBSA-N -1 0 309.326 -0.936 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983085422 670944396 /nfs/dbraw/zinc/94/43/96/670944396.db2.gz YZVQMCMAAMLNQN-HRDYMLBCSA-N -1 0 321.337 -0.483 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1csnn1 ZINC001028719717 670989346 /nfs/dbraw/zinc/98/93/46/670989346.db2.gz IZSMCOFNWQZGPK-SSDOTTSWSA-N -1 0 309.355 -0.386 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028752916 671025709 /nfs/dbraw/zinc/02/57/09/671025709.db2.gz LYIHIIBABRGKQT-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983274001 671034988 /nfs/dbraw/zinc/03/49/88/671034988.db2.gz LMRIZEWXGZCRJQ-MRVPVSSYSA-N -1 0 323.353 -0.093 20 0 DBADRM CCn1ccc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001028845521 671069201 /nfs/dbraw/zinc/06/92/01/671069201.db2.gz LUCNSRFMHBJMMW-SNVBAGLBSA-N -1 0 319.369 -0.021 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cccnn1 ZINC001028885421 671086728 /nfs/dbraw/zinc/08/67/28/671086728.db2.gz WKAKMZLDEKXCGB-SECBINFHSA-N -1 0 303.326 -0.448 20 0 DBADRM CCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983373778 671095585 /nfs/dbraw/zinc/09/55/85/671095585.db2.gz HRVFANIRDFXHLH-JGVFFNPUSA-N -1 0 309.326 -0.150 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCC[C@H](NC(=O)C(N)=O)C2)c1[O-] ZINC000983583310 671191316 /nfs/dbraw/zinc/19/13/16/671191316.db2.gz YMGXWUYXPNWKOY-YUMQZZPRSA-N -1 0 309.326 -0.934 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@H](NC(=O)C(N)=O)C2)c1[O-] ZINC000983583308 671192058 /nfs/dbraw/zinc/19/20/58/671192058.db2.gz YMGXWUYXPNWKOY-SFYZADRCSA-N -1 0 309.326 -0.934 20 0 DBADRM CCC(=O)N1CCC[C@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983721807 671250507 /nfs/dbraw/zinc/25/05/07/671250507.db2.gz LOICYTHKQIMERT-QMMMGPOBSA-N -1 0 309.326 -0.244 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000983746351 671256168 /nfs/dbraw/zinc/25/61/68/671256168.db2.gz GFADPCMMQSSUEK-VIFPVBQESA-N -1 0 321.337 -0.244 20 0 DBADRM O=C(NC[C@@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC000937440534 671273593 /nfs/dbraw/zinc/27/35/93/671273593.db2.gz RCTQHGXJJNSZTE-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000909422749 671277369 /nfs/dbraw/zinc/27/73/69/671277369.db2.gz QJWVGPKWZOSADU-XHDPSFHLSA-N -1 0 308.334 -0.159 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000909422748 671277643 /nfs/dbraw/zinc/27/76/43/671277643.db2.gz QJWVGPKWZOSADU-NHYWBVRUSA-N -1 0 308.334 -0.159 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)[C@@H](O)C1CCC1 ZINC000909425558 671282828 /nfs/dbraw/zinc/28/28/28/671282828.db2.gz BOMNQXGSEWGJIK-YPMHNXCESA-N -1 0 312.366 -0.071 20 0 DBADRM CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000983953959 671304156 /nfs/dbraw/zinc/30/41/56/671304156.db2.gz MYVROEMQWBDQDE-SCZZXKLOSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1n[nH]c2c1CCC2 ZINC001038442028 671312489 /nfs/dbraw/zinc/31/24/89/671312489.db2.gz IFEPJGPVDIALDQ-QMMMGPOBSA-N -1 0 317.353 -0.274 20 0 DBADRM CC(C)=CC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000947318543 671317701 /nfs/dbraw/zinc/31/77/01/671317701.db2.gz GOGXDAUMZDZADB-NXEZZACHSA-N -1 0 323.353 -0.381 20 0 DBADRM CC(C)C(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001012309124 671318409 /nfs/dbraw/zinc/31/84/09/671318409.db2.gz NKOGUUVVBONKRW-JGVFFNPUSA-N -1 0 309.326 -0.342 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000732510825 677362425 /nfs/dbraw/zinc/36/24/25/677362425.db2.gz FKHVEJUVGLZOCO-SECBINFHSA-N -1 0 304.368 -0.520 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2cnn(C)n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947805155 671331896 /nfs/dbraw/zinc/33/18/96/671331896.db2.gz DGFHCRLTHVHYQS-IUCAKERBSA-N -1 0 320.357 -0.578 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000262170711 671332075 /nfs/dbraw/zinc/33/20/75/671332075.db2.gz QPFJHDAPHUCZJO-SNVBAGLBSA-N -1 0 324.399 -0.442 20 0 DBADRM CC(=O)N(C)[C@H]1CCCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000984374329 671345064 /nfs/dbraw/zinc/34/50/64/671345064.db2.gz HECUQQYCSVDVBQ-JTQLQIEISA-N -1 0 323.353 -0.315 20 0 DBADRM CCC(=O)N(C)[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000984429208 671349662 /nfs/dbraw/zinc/34/96/62/671349662.db2.gz KJBIGTCNRXPVEB-MRVPVSSYSA-N -1 0 309.326 -0.244 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000732522509 677363941 /nfs/dbraw/zinc/36/39/41/677363941.db2.gz INNWRZPCCHGFRX-SNVBAGLBSA-N -1 0 306.384 -0.417 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CCn1nnc2ccccc2c1=O ZINC000732604450 677366039 /nfs/dbraw/zinc/36/60/39/677366039.db2.gz LBBPJWYVAIHSJB-UHFFFAOYSA-N -1 0 310.335 -0.353 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1cc(C(F)(F)F)n(C)n1 ZINC000896702135 671422887 /nfs/dbraw/zinc/42/28/87/671422887.db2.gz KCBNYQWAWQLWRL-UHFFFAOYSA-N -1 0 309.248 -0.084 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000896703423 671422940 /nfs/dbraw/zinc/42/29/40/671422940.db2.gz XFRUZQGWYAGMIJ-QWRGUYRKSA-N -1 0 301.343 -0.357 20 0 DBADRM COCCCOCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000909562683 671448690 /nfs/dbraw/zinc/44/86/90/671448690.db2.gz NWNAGLWZRJPSES-SMDDNHRTSA-N -1 0 301.339 -0.011 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000262425420 671452438 /nfs/dbraw/zinc/45/24/38/671452438.db2.gz RMMBOAAVCAEWJH-SNVBAGLBSA-N -1 0 322.364 -0.778 20 0 DBADRM CCC(CC)N1C[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])CC1=O ZINC000262473945 671459971 /nfs/dbraw/zinc/45/99/71/671459971.db2.gz HBLMXJUBYWPKCV-YMTOWFKASA-N -1 0 300.355 -0.025 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cscn2)cc1C(N)=O ZINC000728762620 671465522 /nfs/dbraw/zinc/46/55/22/671465522.db2.gz UKCIDHKLTOAQLP-UHFFFAOYSA-N -1 0 314.348 -0.301 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CC(=O)N(C2CC2)C1 ZINC000866914164 671466486 /nfs/dbraw/zinc/46/64/86/671466486.db2.gz BVCAAALNFWZAFB-NTCNTBNZSA-N -1 0 309.413 -0.298 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1CCCN(C)C1=O ZINC000866916314 671466836 /nfs/dbraw/zinc/46/68/36/671466836.db2.gz SOSHLOLUNMWPMS-VIFPVBQESA-N -1 0 311.429 -0.051 20 0 DBADRM Cn1nncc1C(=O)N1CCC([N@H+](C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985406615 671472576 /nfs/dbraw/zinc/47/25/76/671472576.db2.gz DBTSZGKANAIJJU-UHFFFAOYSA-N -1 0 320.357 -0.625 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)[nH]1 ZINC000797170160 671474738 /nfs/dbraw/zinc/47/47/38/671474738.db2.gz NVBPBOWOFSYLDQ-ZETCQYMHSA-N -1 0 304.324 -0.104 20 0 DBADRM C[N@@H+](Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001029667200 671482483 /nfs/dbraw/zinc/48/24/83/671482483.db2.gz UIVJSQTWGNGRJS-MNOVXSKESA-N -1 0 309.370 -0.173 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1)C1CC1 ZINC000937587684 671491804 /nfs/dbraw/zinc/49/18/04/671491804.db2.gz BJOGZDNIADYHGF-JTQLQIEISA-N -1 0 315.333 -0.237 20 0 DBADRM Cn1c2ccccc2n(CC(=O)NC[C@](C)(O)C(=O)[O-])c1=O ZINC000262564215 671506250 /nfs/dbraw/zinc/50/62/50/671506250.db2.gz XJUNPSIBTUMYAO-AWEZNQCLSA-N -1 0 307.306 -0.708 20 0 DBADRM CCn1c2ccccc2n(CC(=O)NC[C@@](C)(O)C(=O)[O-])c1=O ZINC000262565628 671507153 /nfs/dbraw/zinc/50/71/53/671507153.db2.gz XUBGWYQCGQNHSM-OAHLLOKOSA-N -1 0 321.333 -0.225 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000262606210 671519974 /nfs/dbraw/zinc/51/99/74/671519974.db2.gz ZSJSFYDMPPRKSB-UHFFFAOYSA-N -1 0 323.305 -0.659 20 0 DBADRM Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@H]2C)on1 ZINC000985988864 671549764 /nfs/dbraw/zinc/54/97/64/671549764.db2.gz ZFWOGABTEFEMOR-NXEZZACHSA-N -1 0 320.353 -0.202 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000347513740 671568248 /nfs/dbraw/zinc/56/82/48/671568248.db2.gz HQWBFJKMTDUUOC-SZEHBUNVSA-N -1 0 302.352 -0.392 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000262758249 671572672 /nfs/dbraw/zinc/57/26/72/671572672.db2.gz KETNACLOFWRYBR-PELKAZGASA-N -1 0 324.374 -0.025 20 0 DBADRM CC(=O)N1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]2C1 ZINC000986473661 671594003 /nfs/dbraw/zinc/59/40/03/671594003.db2.gz VSKSGESFMLQELN-MNOVXSKESA-N -1 0 320.349 -0.574 20 0 DBADRM C[C@H]1[C@@H](NCc2ccon2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000986485202 671595928 /nfs/dbraw/zinc/59/59/28/671595928.db2.gz CHZKCZABUIVBAF-CBAPKCEASA-N -1 0 320.309 -0.336 20 0 DBADRM CC(=O)N1CCC([C@@H](C)NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000986704173 671613448 /nfs/dbraw/zinc/61/34/48/671613448.db2.gz MELIJKUYMDGNDA-SECBINFHSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)[N-]S(=O)(=O)N2CCCC2)CC1=O ZINC000729076585 671629910 /nfs/dbraw/zinc/62/99/10/671629910.db2.gz BSAKTCPLORULSP-NSHDSACASA-N -1 0 317.411 -0.052 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000729092590 671632628 /nfs/dbraw/zinc/63/26/28/671632628.db2.gz CKQKLXPNGAKXSX-LURJTMIESA-N -1 0 322.774 -0.207 20 0 DBADRM CC(=O)N[C@H]1CCCCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000987096923 671645352 /nfs/dbraw/zinc/64/53/52/671645352.db2.gz YTBZWPCKMJIZBG-JTQLQIEISA-N -1 0 311.342 -0.403 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000729188647 671646385 /nfs/dbraw/zinc/64/63/85/671646385.db2.gz JWYMCMICZKCFEY-VIFPVBQESA-N -1 0 301.368 -0.546 20 0 DBADRM CCCC(=O)N1CSC[C@H]1C(=O)N[C@H](COC)C(=O)[O-] ZINC000263154346 671647056 /nfs/dbraw/zinc/64/70/56/671647056.db2.gz ZJFHSQXPZMADQQ-BDAKNGLRSA-N -1 0 304.368 -0.096 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCCCN(C(=O)C(N)=O)C2)c1[O-] ZINC000987139663 671651060 /nfs/dbraw/zinc/65/10/60/671651060.db2.gz MBXDGJNYUZASQP-SECBINFHSA-N -1 0 323.353 -0.590 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C2CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987185619 671656911 /nfs/dbraw/zinc/65/69/11/671656911.db2.gz ZAQHROKAMUESHS-APPZFPTMSA-N -1 0 309.326 -0.795 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263200901 671658687 /nfs/dbraw/zinc/65/86/87/671658687.db2.gz XIKSRQCIKDLPEM-BBBLOLIVSA-N -1 0 306.384 -0.022 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CC2CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987204399 671658954 /nfs/dbraw/zinc/65/89/54/671658954.db2.gz WXNHMNKZEUCOGU-SCZZXKLOSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1COCCO1)C(=O)[O-] ZINC000263226749 671664401 /nfs/dbraw/zinc/66/44/01/671664401.db2.gz AWIOFKQJQDMJHW-UWVGGRQHSA-N -1 0 302.327 -0.867 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000263300837 671680588 /nfs/dbraw/zinc/68/05/88/671680588.db2.gz GOULRIHOATYDJV-GHMZBOCLSA-N -1 0 313.354 -0.403 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000263300839 671680777 /nfs/dbraw/zinc/68/07/77/671680777.db2.gz GOULRIHOATYDJV-QWRGUYRKSA-N -1 0 313.354 -0.403 20 0 DBADRM CC(=O)N1CC[C@H](CN(C)C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000987640192 671705059 /nfs/dbraw/zinc/70/50/59/671705059.db2.gz JRNLIBFBNHGJOA-LLVKDONJSA-N -1 0 317.349 -0.037 20 0 DBADRM CCC(=O)N1CC[C@H](CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000987622752 671706311 /nfs/dbraw/zinc/70/63/11/671706311.db2.gz SZXFQLUUVCRQCP-MRVPVSSYSA-N -1 0 309.326 -0.387 20 0 DBADRM CN(C[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C(=O)C1CC1 ZINC000988161966 671751947 /nfs/dbraw/zinc/75/19/47/671751947.db2.gz PLNFSLJYXWUHPY-MRVPVSSYSA-N -1 0 321.337 -0.387 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1C ZINC001038107838 671778366 /nfs/dbraw/zinc/77/83/66/671778366.db2.gz QAYKCUYJXNTJGR-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3ccn[nH]3)C2)c1[O-] ZINC000937697720 671805432 /nfs/dbraw/zinc/80/54/32/671805432.db2.gz PZQNUBLMEPHHJO-QMMMGPOBSA-N -1 0 304.310 -0.209 20 0 DBADRM COC[C@H](NC(=O)N1CCOC[C@H]1C(=O)[O-])C1CCOCC1 ZINC000929046131 671810329 /nfs/dbraw/zinc/81/03/29/671810329.db2.gz VXCKHSRHYUBJCG-RYUDHWBXSA-N -1 0 316.354 -0.077 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CC2CCN(C(=O)C(N)=O)CC2)c1[O-] ZINC000988620404 671812517 /nfs/dbraw/zinc/81/25/17/671812517.db2.gz RYBMVDVJQMDLSG-UHFFFAOYSA-N -1 0 323.353 -0.780 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cnns3)C2)c1[O-] ZINC000937714466 671814560 /nfs/dbraw/zinc/81/45/60/671814560.db2.gz SQVRTFGHIHCWKX-ZETCQYMHSA-N -1 0 322.350 -0.080 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NCc3nnn(C)n3)C[C@@H]2C)c1[O-] ZINC000988661442 671832245 /nfs/dbraw/zinc/83/22/45/671832245.db2.gz IQJPALCIIYYMNP-CBAPKCEASA-N -1 0 320.357 -0.660 20 0 DBADRM O=C(C=C1CCC1)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000937813476 671837731 /nfs/dbraw/zinc/83/77/31/671837731.db2.gz VOFOBJWKVQCLFG-JTQLQIEISA-N -1 0 321.337 -0.483 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)c1[O-] ZINC000937831108 671840189 /nfs/dbraw/zinc/84/01/89/671840189.db2.gz CKNCQKKFGQSLKB-IUCAKERBSA-N -1 0 321.337 -0.967 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cn(C)nn3)C2)c1[O-] ZINC000937901996 671850221 /nfs/dbraw/zinc/85/02/21/671850221.db2.gz OGMFAKIFCXLCMG-QMMMGPOBSA-N -1 0 319.325 -0.803 20 0 DBADRM C[S@@](=O)c1ccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000738142043 671861846 /nfs/dbraw/zinc/86/18/46/671861846.db2.gz OYCDXBYHMIFOQQ-JOCHJYFZSA-N -1 0 324.358 -0.207 20 0 DBADRM C[C@H](CN(C)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)[O-] ZINC000263051378 671875028 /nfs/dbraw/zinc/87/50/28/671875028.db2.gz AABDQOBMMXVEOM-CLAHSXSESA-N -1 0 311.338 -0.114 20 0 DBADRM CC(C)C(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H]1C ZINC000989224598 672466127 /nfs/dbraw/zinc/46/61/27/672466127.db2.gz JZIUBFVOEJZEBX-KOLCDFICSA-N -1 0 322.365 -0.139 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC000989246277 672469596 /nfs/dbraw/zinc/46/95/96/672469596.db2.gz HJNPRQZCXAUOTP-KYXWUPHJSA-N -1 0 323.353 -0.549 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC000989326093 672481996 /nfs/dbraw/zinc/48/19/96/672481996.db2.gz YZCYALCYCGHQFW-KZVJFYERSA-N -1 0 321.337 -0.342 20 0 DBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000729885900 672496520 /nfs/dbraw/zinc/49/65/20/672496520.db2.gz QXPONTJAVXYYPB-UHFFFAOYSA-N -1 0 319.383 -0.105 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1 ZINC000729916555 672497742 /nfs/dbraw/zinc/49/77/42/672497742.db2.gz UGOWXZBIEDQLRF-UHFFFAOYSA-N -1 0 324.366 -0.023 20 0 DBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)N(C)C(C)C)CC1=O ZINC000729912842 672498383 /nfs/dbraw/zinc/49/83/83/672498383.db2.gz JBGANJSTAUNTIE-SNVBAGLBSA-N -1 0 321.399 -0.818 20 0 DBADRM C[C@@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)c1n[nH]cc1F ZINC000989416550 672501405 /nfs/dbraw/zinc/50/14/05/672501405.db2.gz CEMFKKWJJCVLMH-RNFRBKRXSA-N -1 0 309.305 -0.235 20 0 DBADRM O=C([C@@H]1C[C@@]12CCOC2)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000989440332 672511070 /nfs/dbraw/zinc/51/10/70/672511070.db2.gz UTADFMRVODMJJE-XHDPSFHLSA-N -1 0 321.381 -0.029 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CC[C@H]1CC[C@@H](C2OCCO2)O1 ZINC000898279561 672549483 /nfs/dbraw/zinc/54/94/83/672549483.db2.gz GJSGHSDGDIXKDC-MNOVXSKESA-N -1 0 316.354 -0.129 20 0 DBADRM Cc1[nH]nc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)c1C ZINC001038112113 672616446 /nfs/dbraw/zinc/61/64/46/672616446.db2.gz DTVGISQVXAFODR-SECBINFHSA-N -1 0 305.342 -0.145 20 0 DBADRM O=C(CC1CC1)NC1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000990040100 672631896 /nfs/dbraw/zinc/63/18/96/672631896.db2.gz AROGZDDKGPROAA-UHFFFAOYSA-N -1 0 321.337 -0.658 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000990130272 672652013 /nfs/dbraw/zinc/65/20/13/672652013.db2.gz OGBPGODJUJAIRJ-APPZFPTMSA-N -1 0 306.322 -0.918 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000990130273 672652318 /nfs/dbraw/zinc/65/23/18/672652318.db2.gz OGBPGODJUJAIRJ-CBAPKCEASA-N -1 0 306.322 -0.918 20 0 DBADRM CNC(=O)CN1CC[C@@]2(NC(=O)c3[nH]nc(C)c3[O-])CCC[C@H]12 ZINC000990195138 672671981 /nfs/dbraw/zinc/67/19/81/672671981.db2.gz WYTZJXDURCHYFV-BONVTDFDSA-N -1 0 321.381 -0.103 20 0 DBADRM Cc1ccoc1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000990247698 672695757 /nfs/dbraw/zinc/69/57/57/672695757.db2.gz VZAQQDNVFBTJPM-UHFFFAOYSA-N -1 0 319.277 -0.561 20 0 DBADRM CCc1cc(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)[nH]n1 ZINC000990275863 672710131 /nfs/dbraw/zinc/71/01/31/672710131.db2.gz NJLXUMOGLWPKRZ-UHFFFAOYSA-N -1 0 318.337 -0.036 20 0 DBADRM C[C@@H]1CC[C@@H](CN2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC001031315019 677416615 /nfs/dbraw/zinc/41/66/15/677416615.db2.gz QFSHAJGCYHEJSX-SCZZXKLOSA-N -1 0 311.342 -0.943 20 0 DBADRM Cc1cc(=O)c(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c[nH]1 ZINC001031196128 677341636 /nfs/dbraw/zinc/34/16/36/677341636.db2.gz IEGHIASNNIXWGK-UHFFFAOYSA-N -1 0 304.310 -0.879 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC1CCN(CC(F)(F)F)CC1 ZINC000915130780 677342148 /nfs/dbraw/zinc/34/21/48/677342148.db2.gz UKQARTADWLJGDC-UHFFFAOYSA-N -1 0 312.292 -0.010 20 0 DBADRM O=C(CNC(=O)c1ccsc1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000731854979 677345849 /nfs/dbraw/zinc/34/58/49/677345849.db2.gz NMOCFZSLZMZIIJ-SECBINFHSA-N -1 0 322.350 -0.409 20 0 DBADRM Cc1ccc([C@@H](CNC(=O)c2cc(=O)[nH][n-]2)N2CCOCC2)o1 ZINC000731866062 677346373 /nfs/dbraw/zinc/34/63/73/677346373.db2.gz QFDRDCMVNQTSMD-GFCCVEGCSA-N -1 0 320.349 -0.047 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000731869795 677346390 /nfs/dbraw/zinc/34/63/90/677346390.db2.gz WFVPRZIZXFYRSK-UHFFFAOYSA-N -1 0 316.317 -0.448 20 0 DBADRM C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cc(=O)[nH][n-]2)C[C@H](C)O1 ZINC000731871240 677346420 /nfs/dbraw/zinc/34/64/20/677346420.db2.gz HQLVIWJOSXLZHH-GRYCIOLGSA-N -1 0 308.382 -0.038 20 0 DBADRM O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1cc(=O)[nH][n-]1 ZINC000731871832 677346530 /nfs/dbraw/zinc/34/65/30/677346530.db2.gz SJPBHAQGVPEGRK-MRVPVSSYSA-N -1 0 321.289 -0.853 20 0 DBADRM COC(=O)CSCCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000731880635 677346740 /nfs/dbraw/zinc/34/67/40/677346740.db2.gz SJIIXVWTRVUWTO-MRVPVSSYSA-N -1 0 315.355 -0.604 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000731880373 677347003 /nfs/dbraw/zinc/34/70/03/677347003.db2.gz LSKRGPUQORJIOB-DTWKUNHWSA-N -1 0 311.346 -0.673 20 0 DBADRM CCCCN(C(=O)c1cc(=O)[nH][n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000731896654 677347048 /nfs/dbraw/zinc/34/70/48/677347048.db2.gz NIWPPQLUPIKJJB-VIFPVBQESA-N -1 0 301.368 -0.322 20 0 DBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000731867228 677347050 /nfs/dbraw/zinc/34/70/50/677347050.db2.gz OFFNLNVAHONQSK-UHFFFAOYSA-N -1 0 324.362 -0.772 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccnc2ccnn21 ZINC000731987554 677348746 /nfs/dbraw/zinc/34/87/46/677348746.db2.gz OTYXJXTXTXROAU-UHFFFAOYSA-N -1 0 310.277 -0.247 20 0 DBADRM COC(=O)CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)C ZINC000731970469 677349099 /nfs/dbraw/zinc/34/90/99/677349099.db2.gz GFBCJPFYHHAWGC-UHFFFAOYSA-N -1 0 307.310 -0.519 20 0 DBADRM CN(CCn1cccn1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000732017224 677349446 /nfs/dbraw/zinc/34/94/46/677349446.db2.gz AEAJQMDIPVNRKF-UHFFFAOYSA-N -1 0 301.310 -0.574 20 0 DBADRM CC(C)(C)N1C[C@@H](C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CC1=O ZINC000732090978 677350451 /nfs/dbraw/zinc/35/04/51/677350451.db2.gz WUZWFIHHAPCXHF-UWVGGRQHSA-N -1 0 322.369 -0.253 20 0 DBADRM CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732091323 677350564 /nfs/dbraw/zinc/35/05/64/677350564.db2.gz ZFLLNRAXSIMLPS-QWRGUYRKSA-N -1 0 322.369 -0.253 20 0 DBADRM Cc1[nH]nc2ncc(C(=O)N3CCO[C@H](c4nnn[n-]4)C3)cc12 ZINC000732090038 677350721 /nfs/dbraw/zinc/35/07/21/677350721.db2.gz GQHUDXXZCQNNCE-JTQLQIEISA-N -1 0 314.309 -0.007 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC ZINC000788042959 677351555 /nfs/dbraw/zinc/35/15/55/677351555.db2.gz ROTHVMKPIOQTJK-DTWKUNHWSA-N -1 0 322.383 -0.454 20 0 DBADRM CC(=O)N1C[C@@H](C(=O)NCc2nnn[n-]2)Oc2ccccc21 ZINC000732157961 677351780 /nfs/dbraw/zinc/35/17/80/677351780.db2.gz MUPUAPPEUQXUGC-NSHDSACASA-N -1 0 302.294 -0.370 20 0 DBADRM COc1cccc(C(=O)NCCNC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000732266922 677352412 /nfs/dbraw/zinc/35/24/12/677352412.db2.gz QAONAZKEXWJGJB-UHFFFAOYSA-N -1 0 304.306 -0.583 20 0 DBADRM O=C(CNC(=O)c1cc(=O)[nH][n-]1)N1CCc2ccccc2C1 ZINC000732282257 677352860 /nfs/dbraw/zinc/35/28/60/677352860.db2.gz CKTUDPWMOYYJOC-UHFFFAOYSA-N -1 0 300.318 -0.437 20 0 DBADRM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000732275750 677352887 /nfs/dbraw/zinc/35/28/87/677352887.db2.gz AVFFBZVZJNZXOD-QMMMGPOBSA-N -1 0 324.362 -0.352 20 0 DBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc(=O)[nH][n-]2)C1 ZINC000732277771 677352917 /nfs/dbraw/zinc/35/29/17/677352917.db2.gz OVOBZSLLGCACMN-VHSXEESVSA-N -1 0 310.354 -0.748 20 0 DBADRM C[C@@]1(c2ccc(NC(=O)c3cc(=O)[nH][n-]3)cc2)NC(=O)NC1=O ZINC000732271280 677352930 /nfs/dbraw/zinc/35/29/30/677352930.db2.gz FAUSRCYDULXLAN-AWEZNQCLSA-N -1 0 315.289 -0.444 20 0 DBADRM COc1cccc(N2C[C@@H](NC(=O)c3cc(=O)[nH][n-]3)CC2=O)c1 ZINC000732282553 677352939 /nfs/dbraw/zinc/35/29/39/677352939.db2.gz PVCCABOIAXTCKS-VIFPVBQESA-N -1 0 316.317 -0.207 20 0 DBADRM O=C(COC(=O)CN1CC(=O)NC1=O)[N-]OCc1ccccc1 ZINC000732357841 677354413 /nfs/dbraw/zinc/35/44/13/677354413.db2.gz YIARRZAQZGSMNN-UHFFFAOYSA-N -1 0 321.289 -0.671 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC000732506993 677362180 /nfs/dbraw/zinc/36/21/80/677362180.db2.gz QJMZFBDHZZVMRL-NSHDSACASA-N -1 0 320.411 -0.027 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccccc2)n1 ZINC000732520646 677363654 /nfs/dbraw/zinc/36/36/54/677363654.db2.gz GXFLSGBJWUCXKO-UHFFFAOYSA-N -1 0 310.335 -0.027 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CN1CCCCCCC1=O ZINC000732521962 677363889 /nfs/dbraw/zinc/36/38/89/677363889.db2.gz YDTAKSZTIRJOLJ-UHFFFAOYSA-N -1 0 306.384 -0.129 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC000732523255 677364126 /nfs/dbraw/zinc/36/41/26/677364126.db2.gz PPOQSQFCTCZUKS-SECBINFHSA-N -1 0 306.384 -0.226 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC000732522508 677364130 /nfs/dbraw/zinc/36/41/30/677364130.db2.gz INNWRZPCCHGFRX-JTQLQIEISA-N -1 0 306.384 -0.417 20 0 DBADRM CC[C@@H](C(N)=O)N1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001031251674 677364878 /nfs/dbraw/zinc/36/48/78/677364878.db2.gz UTODMQOYFHTEKH-VIFPVBQESA-N -1 0 319.321 -0.394 20 0 DBADRM CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000732618362 677366266 /nfs/dbraw/zinc/36/62/66/677366266.db2.gz DNFPEAVCARBNKR-QMMMGPOBSA-N -1 0 300.336 -0.066 20 0 DBADRM O=C(CCn1cccn1)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000788049748 677374746 /nfs/dbraw/zinc/37/47/46/677374746.db2.gz HYVPQMJFVZHUNX-UHFFFAOYSA-N -1 0 309.351 -0.079 20 0 DBADRM CCc1nocc1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001015667995 677376222 /nfs/dbraw/zinc/37/62/22/677376222.db2.gz YXZXIMSXXMEWKK-VIFPVBQESA-N -1 0 320.353 -0.337 20 0 DBADRM C[C@H]1[C@@H](NC(=O)c2cnon2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994046530 677401910 /nfs/dbraw/zinc/40/19/10/677401910.db2.gz XWLJUAOXEUSNOV-YUMQZZPRSA-N -1 0 307.314 -0.324 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)c(C)c1 ZINC000153838436 677413979 /nfs/dbraw/zinc/41/39/79/677413979.db2.gz UUFNHKSPFUWXMS-UHFFFAOYSA-N -1 0 324.362 -0.296 20 0 DBADRM Cc1ncc(CN2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)s1 ZINC001031314843 677416406 /nfs/dbraw/zinc/41/64/06/677416406.db2.gz KZFYOPBBHXYNTN-UHFFFAOYSA-N -1 0 324.366 -0.545 20 0 DBADRM Cc1ncccc1CN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001031314610 677416505 /nfs/dbraw/zinc/41/65/05/677416505.db2.gz BSOAJMAVLHDOMJ-UHFFFAOYSA-N -1 0 318.337 -0.607 20 0 DBADRM C[C@H]1CC[C@@H](CN2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC001031315021 677416631 /nfs/dbraw/zinc/41/66/31/677416631.db2.gz QFSHAJGCYHEJSX-WPRPVWTQSA-N -1 0 311.342 -0.943 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(Cc2ccc(F)cn2)C1 ZINC001031314884 677416643 /nfs/dbraw/zinc/41/66/43/677416643.db2.gz NETREDLLIFMEHO-UHFFFAOYSA-N -1 0 322.300 -0.776 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1COc2c(cccc2OC)C1 ZINC000916623592 677417890 /nfs/dbraw/zinc/41/78/90/677417890.db2.gz AGKDMBGZKUAYFK-SNVBAGLBSA-N -1 0 309.322 -0.025 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1Cc2cccnc2C1 ZINC001031316715 677417947 /nfs/dbraw/zinc/41/79/47/677417947.db2.gz LHYOPHHGTSWBDH-JTQLQIEISA-N -1 0 314.349 -0.379 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000916822701 677424677 /nfs/dbraw/zinc/42/46/77/677424677.db2.gz IHKGWDHINZOLDF-QMMMGPOBSA-N -1 0 316.383 -0.224 20 0 DBADRM NC(=O)c1ccc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cc1 ZINC001031377197 677438027 /nfs/dbraw/zinc/43/80/27/677438027.db2.gz MVZSFXIKPVOUDB-UHFFFAOYSA-N -1 0 316.321 -0.777 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000994528748 677443356 /nfs/dbraw/zinc/44/33/56/677443356.db2.gz HBKXNGVJEPLCEN-IUCAKERBSA-N -1 0 321.341 -0.015 20 0 DBADRM C[C@H](O)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)OC2)C(=O)[O-] ZINC000917840668 677448382 /nfs/dbraw/zinc/44/83/82/677448382.db2.gz CKUPWPYWWCSANE-QUBYGPBYSA-N -1 0 315.303 -0.531 20 0 DBADRM CCc1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)nn1C ZINC001031485288 677456877 /nfs/dbraw/zinc/45/68/77/677456877.db2.gz DOJUUUWSTMZSKZ-UHFFFAOYSA-N -1 0 319.369 -0.982 20 0 DBADRM CCCCS(=O)(=O)[N-]C(=O)CCN1CCCS1(=O)=O ZINC000918479283 677457130 /nfs/dbraw/zinc/45/71/30/677457130.db2.gz TWFGNCVASOMJMC-UHFFFAOYSA-N -1 0 312.413 -0.342 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc[n+]([O-])cc1 ZINC001031537272 677464098 /nfs/dbraw/zinc/46/40/98/677464098.db2.gz PVIQQPWVKFICIG-UHFFFAOYSA-N -1 0 304.310 -0.995 20 0 DBADRM Cc1cc(C(=O)NCC2CN(Cc3nc(=O)n(C)[nH]3)C2)n(C)n1 ZINC001031565883 677470251 /nfs/dbraw/zinc/47/02/51/677470251.db2.gz HIDBMSIJALUZPX-UHFFFAOYSA-N -1 0 319.369 -0.988 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCCCC2)C1 ZINC000919671143 677478928 /nfs/dbraw/zinc/47/89/28/677478928.db2.gz MLCGMVLSISMAPI-SNVBAGLBSA-N -1 0 318.399 -0.376 20 0 DBADRM O=C(Cc1nc2ncccn2n1)[N-]S(=O)(=O)N1CCCCC1 ZINC000919672408 677479153 /nfs/dbraw/zinc/47/91/53/677479153.db2.gz FNMSYYAFFVEPKO-UHFFFAOYSA-N -1 0 324.366 -0.486 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc[nH]c(=O)c1 ZINC001031612357 677479504 /nfs/dbraw/zinc/47/95/04/677479504.db2.gz OQDAZYLBJOWVAK-UHFFFAOYSA-N -1 0 304.310 -0.527 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ncccc1O ZINC001031627220 677484806 /nfs/dbraw/zinc/48/48/06/677484806.db2.gz GXIIVWQNTOQRQF-UHFFFAOYSA-N -1 0 304.310 -0.527 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000921380190 677503172 /nfs/dbraw/zinc/50/31/72/677503172.db2.gz JOKOABUINHTOIQ-WDEREUQCSA-N -1 0 309.384 -0.091 20 0 DBADRM CC(C)[C@H](C)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938348604 677515957 /nfs/dbraw/zinc/51/59/57/677515957.db2.gz FDDJKYSCXAPZKZ-IUCAKERBSA-N -1 0 323.353 -0.094 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938349344 677515985 /nfs/dbraw/zinc/51/59/85/677515985.db2.gz GHEABOYZGUTTRR-JGVFFNPUSA-N -1 0 321.337 -0.340 20 0 DBADRM CC1CC(C(=O)N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000938349816 677516314 /nfs/dbraw/zinc/51/63/14/677516314.db2.gz LPMGTEIJOZOROH-HACHORDNSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000938350475 677516361 /nfs/dbraw/zinc/51/63/61/677516361.db2.gz ZOYACDJCHWZLOZ-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM CCCC(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938400088 677519487 /nfs/dbraw/zinc/51/94/87/677519487.db2.gz MRSSXBDGOTTWQE-VIFPVBQESA-N -1 0 308.338 -0.383 20 0 DBADRM CCC1(C(=O)N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000938388948 677520016 /nfs/dbraw/zinc/52/00/16/677520016.db2.gz OANAVGFOOIPOBY-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc2n1CCC2 ZINC001031741899 677542946 /nfs/dbraw/zinc/54/29/46/677542946.db2.gz KZGHIDPIJVHFMC-UHFFFAOYSA-N -1 0 317.353 -0.485 20 0 DBADRM CCOCC(=O)N[N-]C(=O)c1csc(N2CCOCC2)n1 ZINC000068193350 677545558 /nfs/dbraw/zinc/54/55/58/677545558.db2.gz LMYKMPSSPOUCFH-UHFFFAOYSA-N -1 0 314.367 -0.223 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCN(C(=O)C2(C)CC2)C1 ZINC000938650673 677546421 /nfs/dbraw/zinc/54/64/21/677546421.db2.gz ITEFVCSFZOKCPC-QMMMGPOBSA-N -1 0 321.337 -0.244 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3n[nH]cc3F)C2)c1[O-] ZINC000938670485 677548440 /nfs/dbraw/zinc/54/84/40/677548440.db2.gz USJOBTMNQQNKRB-ZETCQYMHSA-N -1 0 322.300 -0.070 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000939012824 677570037 /nfs/dbraw/zinc/57/00/37/677570037.db2.gz BOAUEEXVKYQYBJ-KXUCPTDWSA-N -1 0 323.353 -0.595 20 0 DBADRM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000948191480 677574021 /nfs/dbraw/zinc/57/40/21/677574021.db2.gz PFGVANUYJUHPRD-PWSUYJOCSA-N -1 0 322.365 -0.137 20 0 DBADRM O=C(CC1CC1)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000939059227 677574383 /nfs/dbraw/zinc/57/43/83/677574383.db2.gz VQIMXBPHTSZFJR-SECBINFHSA-N -1 0 309.326 -0.794 20 0 DBADRM CC(=O)N(C)[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000939073677 677574755 /nfs/dbraw/zinc/57/47/55/677574755.db2.gz CWHDWXXSOGAEOW-SNVBAGLBSA-N -1 0 318.337 -0.850 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000939120670 677578385 /nfs/dbraw/zinc/57/83/85/677578385.db2.gz ATMBTAIOKHHJIS-YIZRAAEISA-N -1 0 321.337 -0.388 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](NC(=O)c2ccco2)C1 ZINC000939143499 677580678 /nfs/dbraw/zinc/58/06/78/677580678.db2.gz BXSZFHCMKULXHR-MRVPVSSYSA-N -1 0 321.293 -0.687 20 0 DBADRM CCOc1nc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001031814421 677595124 /nfs/dbraw/zinc/59/51/24/677595124.db2.gz DOKJIGXQCXYVJE-UHFFFAOYSA-N -1 0 322.325 -0.241 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@H](CC)C(=O)[O-] ZINC000251106186 677613970 /nfs/dbraw/zinc/61/39/70/677613970.db2.gz SHUPNPGMKQFDQK-UWVGGRQHSA-N -1 0 322.383 -0.041 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]c3)C2)c1[O-] ZINC000940038746 677645757 /nfs/dbraw/zinc/64/57/57/677645757.db2.gz MDDRLMUYDZULMK-SECBINFHSA-N -1 0 304.310 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnccn3)C2)c1[O-] ZINC000940038634 677645872 /nfs/dbraw/zinc/64/58/72/677645872.db2.gz IQKWWJFGDZEIBJ-SECBINFHSA-N -1 0 316.321 -0.142 20 0 DBADRM CCCC(=O)N1CCN(C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000941281207 677771553 /nfs/dbraw/zinc/77/15/53/677771553.db2.gz WXBFFXNQHPFVRR-UHFFFAOYSA-N -1 0 308.386 -0.361 20 0 DBADRM O=C(CC1CC1)N1CCN(C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000941276931 677773575 /nfs/dbraw/zinc/77/35/75/677773575.db2.gz QADAAVUMIRAJOF-UHFFFAOYSA-N -1 0 320.397 -0.361 20 0 DBADRM CC1CC(C(=O)N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000941788982 677848847 /nfs/dbraw/zinc/84/88/47/677848847.db2.gz LPMGTEIJOZOROH-AMDVSUOASA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)C2CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000941789098 677848858 /nfs/dbraw/zinc/84/88/58/677848858.db2.gz PRMOFYUHCTYUHL-MRVPVSSYSA-N -1 0 307.310 -0.586 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)C2=CCCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000941788746 677848972 /nfs/dbraw/zinc/84/89/72/677848972.db2.gz IZQKBYKKVKPLTM-SECBINFHSA-N -1 0 319.321 -0.276 20 0 DBADRM CC1(C(=O)N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CCC1 ZINC000941792636 677852497 /nfs/dbraw/zinc/85/24/97/677852497.db2.gz UAFVUPIOWKWMIV-MRVPVSSYSA-N -1 0 321.337 -0.196 20 0 DBADRM CC[C@H](F)C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941792615 677852784 /nfs/dbraw/zinc/85/27/84/677852784.db2.gz SHFYMHXCCKTPME-RQJHMYQMSA-N -1 0 313.289 -0.638 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2ccc[nH]2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000941792100 677852843 /nfs/dbraw/zinc/85/28/43/677852843.db2.gz JYDSDHRLWYWOEG-SSDOTTSWSA-N -1 0 318.293 -0.745 20 0 DBADRM COCc1nc(C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)cs1 ZINC000995177785 677853171 /nfs/dbraw/zinc/85/31/71/677853171.db2.gz DHXXJGWYEIRJIH-UHFFFAOYSA-N -1 0 322.350 -0.338 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1ccn[nH]1 ZINC000941847979 677855005 /nfs/dbraw/zinc/85/50/05/677855005.db2.gz VVDZNSNLMOJBNN-BDAKNGLRSA-N -1 0 305.342 -0.126 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)CC2CCC2)C1 ZINC000941934123 677864524 /nfs/dbraw/zinc/86/45/24/677864524.db2.gz NAKSAOOFAGZEKJ-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)C=C2CCC2)C1 ZINC000941933784 677864708 /nfs/dbraw/zinc/86/47/08/677864708.db2.gz BZBRWEHXKFNQSZ-SNVBAGLBSA-N -1 0 321.337 -0.483 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC000941940304 677864789 /nfs/dbraw/zinc/86/47/89/677864789.db2.gz XZWSJHOBSMDSKX-SECBINFHSA-N -1 0 320.309 -0.952 20 0 DBADRM CC[C@@H](C)C(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000941979828 677868506 /nfs/dbraw/zinc/86/85/06/677868506.db2.gz BQCKWAJOOQYGLW-NXEZZACHSA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000941982279 677869410 /nfs/dbraw/zinc/86/94/10/677869410.db2.gz IJHUZOIVNNEAPM-AEJSXWLSSA-N -1 0 320.349 -0.527 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000942017985 677875426 /nfs/dbraw/zinc/87/54/26/677875426.db2.gz JZPURKIPLVBRDK-IWSPIJDZSA-N -1 0 309.326 -0.938 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1ncn(C)n1 ZINC000942023928 677876119 /nfs/dbraw/zinc/87/61/19/677876119.db2.gz GMDOHAPTOWFDRZ-DTWKUNHWSA-N -1 0 320.357 -0.721 20 0 DBADRM Cc1nc[nH]c1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000995236894 677923070 /nfs/dbraw/zinc/92/30/70/677923070.db2.gz BZRNNAOKHVOMMB-UHFFFAOYSA-N -1 0 304.310 -0.290 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)Cn3cncn3)C2)c1[O-] ZINC000942460830 677933163 /nfs/dbraw/zinc/93/31/63/677933163.db2.gz SNIRSKPOHDPDSV-SECBINFHSA-N -1 0 319.325 -0.954 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000942482764 677937801 /nfs/dbraw/zinc/93/78/01/677937801.db2.gz MILBIVHEQJUINP-OPRDCNLKSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC000942509212 677939366 /nfs/dbraw/zinc/93/93/66/677939366.db2.gz VUQOPAMPOQDESK-RKDXNWHRSA-N -1 0 321.337 -0.794 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)[C@@H]1CC12CC2 ZINC000942512078 677939888 /nfs/dbraw/zinc/93/98/88/677939888.db2.gz YUWUSWKOILJXGN-SFYZADRCSA-N -1 0 319.321 -0.586 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]cn3)C2)c1[O-] ZINC000942513650 677939994 /nfs/dbraw/zinc/93/99/94/677939994.db2.gz AHDKVZDSTFWJDW-SECBINFHSA-N -1 0 318.337 -0.280 20 0 DBADRM CCn1ccc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001032028016 677943696 /nfs/dbraw/zinc/94/36/96/677943696.db2.gz BTBDNAVAGNRLAF-UHFFFAOYSA-N -1 0 305.342 -0.412 20 0 DBADRM COCc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001032031780 677948072 /nfs/dbraw/zinc/94/80/72/677948072.db2.gz VWQAEOCLXNUBSZ-UHFFFAOYSA-N -1 0 322.325 -0.494 20 0 DBADRM CCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000942632825 677953341 /nfs/dbraw/zinc/95/33/41/677953341.db2.gz XDDPRNWGAOGKCC-VIFPVBQESA-N -1 0 321.337 -0.244 20 0 DBADRM Cc1nc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)c(C)o1 ZINC001032070195 677985188 /nfs/dbraw/zinc/98/51/88/677985188.db2.gz MUGCVDCNWJIZOK-UHFFFAOYSA-N -1 0 306.326 -0.023 20 0 DBADRM CCC(=O)N1CCCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000943408707 677991856 /nfs/dbraw/zinc/99/18/56/677991856.db2.gz LJDHKPMNVYSAGN-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)C[C@H]3CCC(=O)N3)C2)c1[O-] ZINC000995376115 678009832 /nfs/dbraw/zinc/00/98/32/678009832.db2.gz AWKMHIXFVWTSOL-MRVPVSSYSA-N -1 0 321.337 -0.967 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1nnc[nH]1 ZINC000943701369 678011753 /nfs/dbraw/zinc/01/17/53/678011753.db2.gz HIFJFVRNILDVNP-HTQZYQBOSA-N -1 0 306.330 -0.731 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)Cc1ncc[nH]1 ZINC000943765545 678017050 /nfs/dbraw/zinc/01/70/50/678017050.db2.gz DDHJIKVOVBOIIW-UWVGGRQHSA-N -1 0 319.369 -0.197 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@@]12CCOC2 ZINC001032112331 678023508 /nfs/dbraw/zinc/02/35/08/678023508.db2.gz ATYIJJKUHUSFFK-IINYFYTJSA-N -1 0 307.354 -0.515 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1C[C@@]12CCOC2 ZINC001032112332 678023675 /nfs/dbraw/zinc/02/36/75/678023675.db2.gz ATYIJJKUHUSFFK-QMTHXVAHSA-N -1 0 307.354 -0.515 20 0 DBADRM CC(C)=CC(=O)N1CCC(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000943852142 678025494 /nfs/dbraw/zinc/02/54/94/678025494.db2.gz HANCJQWWRBRBOH-UHFFFAOYSA-N -1 0 323.353 -0.237 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032160618 678047099 /nfs/dbraw/zinc/04/70/99/678047099.db2.gz CKQBBNACMDJBMT-SNVBAGLBSA-N -1 0 322.369 -0.931 20 0 DBADRM CC1(C(=O)N2CCC[C@@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000944067684 678052380 /nfs/dbraw/zinc/05/23/80/678052380.db2.gz QCZSYHZNPZMMJA-MRVPVSSYSA-N -1 0 321.337 -0.196 20 0 DBADRM Cc1nccc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001032192935 678068439 /nfs/dbraw/zinc/06/84/39/678068439.db2.gz BLMIFZYDUNNSTE-UHFFFAOYSA-N -1 0 303.326 -0.529 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCN(C2CCC2)CC1 ZINC000733274449 678092824 /nfs/dbraw/zinc/09/28/24/678092824.db2.gz BLGDPJAVGLFLSF-UHFFFAOYSA-N -1 0 316.365 -0.232 20 0 DBADRM CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC000995566076 678116210 /nfs/dbraw/zinc/11/62/10/678116210.db2.gz SYNGGONSDFCNFT-MIMYLULJSA-N -1 0 321.337 -0.517 20 0 DBADRM CC(=O)N1CC2(C1)CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC000944987609 678137017 /nfs/dbraw/zinc/13/70/17/678137017.db2.gz DOVABICEYMTDGN-UHFFFAOYSA-N -1 0 307.310 -0.633 20 0 DBADRM CCC(=O)N1CC2(C1)CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC000944993074 678138055 /nfs/dbraw/zinc/13/80/55/678138055.db2.gz OHMMQEWPBRMBIV-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](C)C1 ZINC000945075329 678141323 /nfs/dbraw/zinc/14/13/23/678141323.db2.gz XFNHRJILOJXMQS-ONGXEEELSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H](C)C1 ZINC000945076611 678141437 /nfs/dbraw/zinc/14/14/37/678141437.db2.gz QRFIRSKYEUMDIS-KCJUWKMLSA-N -1 0 308.338 -0.527 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]2C)c1[O-] ZINC000945224302 678145784 /nfs/dbraw/zinc/14/57/84/678145784.db2.gz GZXDNEUNNAQTJF-IONNQARKSA-N -1 0 323.353 -0.734 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C[C@H]2C)c1[O-] ZINC000945224300 678145887 /nfs/dbraw/zinc/14/58/87/678145887.db2.gz GZXDNEUNNAQTJF-APPZFPTMSA-N -1 0 323.353 -0.734 20 0 DBADRM C[C@H]1CN(C(=O)c2ccn(C)n2)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000945331389 678150816 /nfs/dbraw/zinc/15/08/16/678150816.db2.gz WCJRRJBBJKFVLV-UWVGGRQHSA-N -1 0 317.353 -0.181 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@@H]1C ZINC000945416374 678155185 /nfs/dbraw/zinc/15/51/85/678155185.db2.gz YIDSIGMGGBCILD-WPRPVWTQSA-N -1 0 318.337 -0.596 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC000945434800 678155525 /nfs/dbraw/zinc/15/55/25/678155525.db2.gz KSZYIIRLRTUTPX-LDYMZIIASA-N -1 0 308.338 -0.527 20 0 DBADRM CC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000945549758 678165417 /nfs/dbraw/zinc/16/54/17/678165417.db2.gz BFRCFFHULBMNLR-GXSJLCMTSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000945654286 678168827 /nfs/dbraw/zinc/16/88/27/678168827.db2.gz MZXJOKOHXKURHE-WCBMZHEXSA-N -1 0 311.342 -0.548 20 0 DBADRM CCC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@@H]21 ZINC000945994678 678190737 /nfs/dbraw/zinc/19/07/37/678190737.db2.gz FZSNLUWSLGLZRH-IUCAKERBSA-N -1 0 321.337 -0.244 20 0 DBADRM CCC(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC[C@H]21 ZINC000946000284 678191424 /nfs/dbraw/zinc/19/14/24/678191424.db2.gz UJYFDOLTWSOESH-VHSXEESVSA-N -1 0 323.353 -0.451 20 0 DBADRM CCC(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC[C@H]21 ZINC000946000282 678191620 /nfs/dbraw/zinc/19/16/20/678191620.db2.gz UJYFDOLTWSOESH-NXEZZACHSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1)n1cccn1 ZINC001032291025 678200457 /nfs/dbraw/zinc/20/04/57/678200457.db2.gz ZMCAKSBNBZKBIZ-DCAQKATOSA-N -1 0 317.353 -0.247 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCCCN1CCCC1=O ZINC000733491873 678222336 /nfs/dbraw/zinc/22/23/36/678222336.db2.gz DNOYWPQURPANSC-UHFFFAOYSA-N -1 0 319.321 -0.373 20 0 DBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(C)(=O)=O ZINC000733676404 678250025 /nfs/dbraw/zinc/25/00/25/678250025.db2.gz YUNHOSNKWVLHEH-SECBINFHSA-N -1 0 312.413 -0.344 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)CC2CC2)ccc1=O ZINC000733703483 678254241 /nfs/dbraw/zinc/25/42/41/678254241.db2.gz NVTPZSIXDPQFAR-UHFFFAOYSA-N -1 0 314.363 -0.036 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N1CCCC1=O ZINC000733699555 678254544 /nfs/dbraw/zinc/25/45/44/678254544.db2.gz VAEDUDURHNMNGC-LLVKDONJSA-N -1 0 306.384 -0.274 20 0 DBADRM Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733718415 678255845 /nfs/dbraw/zinc/25/58/45/678255845.db2.gz FIAUROZTLRHNPM-SECBINFHSA-N -1 0 310.335 -0.114 20 0 DBADRM CCC(CC)S(=O)(=O)[N-]C(=O)CN1CCCS1(=O)=O ZINC000733712522 678255887 /nfs/dbraw/zinc/25/58/87/678255887.db2.gz DYFYNOGSPJPYOY-UHFFFAOYSA-N -1 0 312.413 -0.344 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733720367 678255963 /nfs/dbraw/zinc/25/59/63/678255963.db2.gz FFBYDOHSRSKCOL-IUCAKERBSA-N -1 0 316.335 -0.367 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000733722826 678256210 /nfs/dbraw/zinc/25/62/10/678256210.db2.gz YLDYIKSIQAXLJM-GHMZBOCLSA-N -1 0 318.395 -0.130 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000733722829 678256523 /nfs/dbraw/zinc/25/65/23/678256523.db2.gz YLDYIKSIQAXLJM-WDEREUQCSA-N -1 0 318.395 -0.130 20 0 DBADRM COc1nc(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)co1 ZINC000996558006 678261791 /nfs/dbraw/zinc/26/17/91/678261791.db2.gz AABUGIHYDREQKM-UHFFFAOYSA-N -1 0 321.293 -0.325 20 0 DBADRM COCCN(CC(=O)NCc1nnn[n-]1)C(=O)OC(C)(C)C ZINC000733954250 678268523 /nfs/dbraw/zinc/26/85/23/678268523.db2.gz NLGMYLXYIIDRBG-UHFFFAOYSA-N -1 0 314.346 -0.301 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cn(C)nc1C ZINC000734088039 678273457 /nfs/dbraw/zinc/27/34/57/678273457.db2.gz FJQKAAZTUVNRML-UHFFFAOYSA-N -1 0 303.340 -0.259 20 0 DBADRM CCc1c(C(=O)[N-]S(=O)(=O)CCCC(=O)OC)cnn1C ZINC000734091328 678274701 /nfs/dbraw/zinc/27/47/01/678274701.db2.gz TYYWVKJKQDDTCZ-UHFFFAOYSA-N -1 0 317.367 -0.005 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)/C=C/c1cnn(C)c1 ZINC000734091285 678275027 /nfs/dbraw/zinc/27/50/27/678275027.db2.gz ROYLPLXLLKKOGD-AATRIKPKSA-N -1 0 315.351 -0.168 20 0 DBADRM CC[C@]1(C)C[C@@H]1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996737952 678288331 /nfs/dbraw/zinc/28/83/31/678288331.db2.gz XDBFLIVLNUWZQX-XLKFXECMSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(NC1CN(C(=O)c2ccccc2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996738897 678288617 /nfs/dbraw/zinc/28/86/17/678288617.db2.gz NFMRHFCYZCFTOY-UHFFFAOYSA-N -1 0 315.289 -0.463 20 0 DBADRM O=C(CC1CCCC1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996736883 678290228 /nfs/dbraw/zinc/29/02/28/678290228.db2.gz BLRYZMOTHAHEJD-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(Cc1ccoc1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996734356 678290364 /nfs/dbraw/zinc/29/03/64/678290364.db2.gz HDQYJSZYVFHPHZ-UHFFFAOYSA-N -1 0 319.277 -0.941 20 0 DBADRM O=C(C[C@@H]1C=CCC1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996745330 678290802 /nfs/dbraw/zinc/29/08/02/678290802.db2.gz NFCLDNYWRMCIFZ-MRVPVSSYSA-N -1 0 319.321 -0.420 20 0 DBADRM CC(C)(C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000996746114 678291047 /nfs/dbraw/zinc/29/10/47/678291047.db2.gz RBZRLGWOARFELT-UHFFFAOYSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(NC1CN(C(=O)[C@H]2CC23CC3)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996746254 678291373 /nfs/dbraw/zinc/29/13/73/678291373.db2.gz SRGAQSRMMRMSTH-SSDOTTSWSA-N -1 0 305.294 -0.977 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996746895 678291510 /nfs/dbraw/zinc/29/15/10/678291510.db2.gz WFNJQXAEWQEUCM-BQBZGAKWSA-N -1 0 307.310 -0.731 20 0 DBADRM O=C(NC1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996755107 678291816 /nfs/dbraw/zinc/29/18/16/678291816.db2.gz TXOFZYRJISWXKS-DTWKUNHWSA-N -1 0 319.321 -0.731 20 0 DBADRM Cc1cc(CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001032349270 678334220 /nfs/dbraw/zinc/33/42/20/678334220.db2.gz ISMXDISDXBNCJT-QWRGUYRKSA-N -1 0 317.353 -0.430 20 0 DBADRM CCCOCC(=O)[N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC ZINC000735768214 678343111 /nfs/dbraw/zinc/34/31/11/678343111.db2.gz HZTOLCBVCQKBRO-SNVBAGLBSA-N -1 0 322.383 -0.199 20 0 DBADRM O=C(Cc1cccnc1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032358013 678343403 /nfs/dbraw/zinc/34/34/03/678343403.db2.gz PJJYBKYCFXEWHD-RYUDHWBXSA-N -1 0 314.349 -0.067 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@@H](C)C(=O)N(C)C)c1[O-] ZINC001032358063 678345090 /nfs/dbraw/zinc/34/50/90/678345090.db2.gz RDXJTNARHHAOFC-DCAQKATOSA-N -1 0 321.381 -0.201 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)OC ZINC000735771355 678345216 /nfs/dbraw/zinc/34/52/16/678345216.db2.gz GJXNLKSJEUWIJS-DTWKUNHWSA-N -1 0 308.356 -0.590 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)COC(C)C ZINC000735774296 678345311 /nfs/dbraw/zinc/34/53/11/678345311.db2.gz WKWLXKPFVSOPKR-JTQLQIEISA-N -1 0 322.383 -0.200 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](CC)OC ZINC000735774230 678345329 /nfs/dbraw/zinc/34/53/29/678345329.db2.gz FGNQVHKUGIHJPN-ZJUUUORDSA-N -1 0 322.383 -0.200 20 0 DBADRM CNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-] ZINC001032358220 678345384 /nfs/dbraw/zinc/34/53/84/678345384.db2.gz YJKSMIFGILURBV-GUBZILKMSA-N -1 0 307.354 -0.543 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCNC(N)=O ZINC000735809498 678346879 /nfs/dbraw/zinc/34/68/79/678346879.db2.gz KPXAUISCXZREQC-UHFFFAOYSA-N -1 0 314.367 -0.154 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000921518602 678380417 /nfs/dbraw/zinc/38/04/17/678380417.db2.gz IOQQSKCOBFJCAF-LLVKDONJSA-N -1 0 312.370 -0.103 20 0 DBADRM O=C(C1CCC(O)CC1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032379851 678381331 /nfs/dbraw/zinc/38/13/31/678381331.db2.gz HWILVUNQBZCDOQ-YECOWLKZSA-N -1 0 321.381 -0.154 20 0 DBADRM O=C(CC1(O)CCC1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032396449 678395186 /nfs/dbraw/zinc/39/51/86/678395186.db2.gz VTBHYWIJYLIQCT-UWVGGRQHSA-N -1 0 307.354 -0.400 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000888322055 678395224 /nfs/dbraw/zinc/39/52/24/678395224.db2.gz ZOSXQXSTULZFNV-SNVBAGLBSA-N -1 0 307.358 -0.409 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000888322787 678397654 /nfs/dbraw/zinc/39/76/54/678397654.db2.gz MOSKNPMLOZITBO-GARJFASQSA-N -1 0 311.390 -0.266 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[S@](=O)C(C)(C)CC1 ZINC000888324332 678400542 /nfs/dbraw/zinc/40/05/42/678400542.db2.gz VGDZTKGIECOQJN-FQEVSTJZSA-N -1 0 300.388 -0.120 20 0 DBADRM Cc1nc[nH]c1CC(=O)N1CCC([NH2+]Cc2n[nH]c(=O)[n-]2)CC1 ZINC000997220494 678418624 /nfs/dbraw/zinc/41/86/24/678418624.db2.gz BXZGQQZRGORSEV-UHFFFAOYSA-N -1 0 319.369 -0.135 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997257572 678422860 /nfs/dbraw/zinc/42/28/60/678422860.db2.gz FROTZXPFTHSAKS-YUMQZZPRSA-N -1 0 309.326 -0.938 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)C2(C3CC3)CC2)C1 ZINC000997258516 678423357 /nfs/dbraw/zinc/42/33/57/678423357.db2.gz RNOISMICSMOHJB-UHFFFAOYSA-N -1 0 321.337 -0.794 20 0 DBADRM C[C@@]1(C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)C=CCC1 ZINC000997257575 678423629 /nfs/dbraw/zinc/42/36/29/678423629.db2.gz FTIQMKHLIWYZQL-CQSZACIVSA-N -1 0 321.337 -0.627 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)CC2CCCC2)C1 ZINC000997267886 678424631 /nfs/dbraw/zinc/42/46/31/678424631.db2.gz WKQLKBBGJUTCEH-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1ccoc1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997267819 678424852 /nfs/dbraw/zinc/42/48/52/678424852.db2.gz VNRAZVMPWNYLNE-UHFFFAOYSA-N -1 0 321.293 -0.768 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000888327196 678437078 /nfs/dbraw/zinc/43/70/78/678437078.db2.gz UOQSAPRAZYPMIQ-GHMZBOCLSA-N -1 0 309.374 -0.558 20 0 DBADRM O=C(c1cn[nH]c(=O)c1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032462545 678444595 /nfs/dbraw/zinc/44/45/95/678444595.db2.gz SKOJSYNHVJWJDT-IUCAKERBSA-N -1 0 317.309 -0.895 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCOCC2(CCOCC2)C1 ZINC000888331154 678463322 /nfs/dbraw/zinc/46/33/22/678463322.db2.gz FGDWFRFTYFDPIU-UHFFFAOYSA-N -1 0 310.358 -0.224 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000888328280 678463346 /nfs/dbraw/zinc/46/33/46/678463346.db2.gz JDKGEYROSXSMNJ-SNVBAGLBSA-N -1 0 310.358 -0.083 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000888328594 678463529 /nfs/dbraw/zinc/46/35/29/678463529.db2.gz STAKIEVBSRZNCB-GWCFXTLKSA-N -1 0 310.358 -0.083 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000888330715 678463646 /nfs/dbraw/zinc/46/36/46/678463646.db2.gz XTWAPHNXHUMSBC-NSHDSACASA-N -1 0 309.374 -0.699 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000888332873 678464274 /nfs/dbraw/zinc/46/42/74/678464274.db2.gz MGOVFCLTKAGFRU-NEPJUHHUSA-N -1 0 323.401 -0.120 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000888344366 678467785 /nfs/dbraw/zinc/46/77/85/678467785.db2.gz AGHITCVRQTVKTM-NSHDSACASA-N -1 0 311.390 -0.407 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1C[C@@H]2C[C@H]1CN2CCF ZINC001032495532 678474744 /nfs/dbraw/zinc/47/47/44/678474744.db2.gz OKAALGVTYSBFLA-IUCAKERBSA-N -1 0 311.317 -0.530 20 0 DBADRM CC(=O)N1CCC(CNC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000948599819 678477531 /nfs/dbraw/zinc/47/75/31/678477531.db2.gz AAWMTKQPHNKVOY-UHFFFAOYSA-N -1 0 308.338 -0.526 20 0 DBADRM Cn1cc(Br)cc1C(=O)N[N-]C(=O)c1cn[nH]n1 ZINC000080212569 678481474 /nfs/dbraw/zinc/48/14/74/678481474.db2.gz FYYYUNWLWDGIMY-UHFFFAOYSA-N -1 0 313.115 -0.020 20 0 DBADRM NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ncccc1O ZINC000946292531 678499125 /nfs/dbraw/zinc/49/91/25/678499125.db2.gz MNTOHSPAJKVDOD-RKDXNWHRSA-N -1 0 306.322 -0.713 20 0 DBADRM CCCC(=O)N1CC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000997768016 678509001 /nfs/dbraw/zinc/50/90/01/678509001.db2.gz CCBOLIJPFOTFKA-UHFFFAOYSA-N -1 0 318.337 -0.802 20 0 DBADRM CC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000946326249 678509813 /nfs/dbraw/zinc/50/98/13/678509813.db2.gz BRUFWNLJNZRJGF-CMPLNLGQSA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@H](NC(=O)c1nnc[nH]1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000997804909 678513768 /nfs/dbraw/zinc/51/37/68/678513768.db2.gz HRZFRQAYNLXRHA-QMMMGPOBSA-N -1 0 320.357 -0.341 20 0 DBADRM Cc1cnn(C)c1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000997900735 678529853 /nfs/dbraw/zinc/52/98/53/678529853.db2.gz VWKLYVKOPXDFFB-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCC[C@H]2NC(=O)C(N)=O)c1[O-] ZINC000946428101 678535772 /nfs/dbraw/zinc/53/57/72/678535772.db2.gz NIGXEQWZPKJZNI-RKDXNWHRSA-N -1 0 323.353 -0.686 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000997996781 678546302 /nfs/dbraw/zinc/54/63/02/678546302.db2.gz IXYUOSPCOASOMM-BRPSZJMVSA-N -1 0 321.337 -0.938 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cccnn3)C2)c1[O-] ZINC000998291311 678584296 /nfs/dbraw/zinc/58/42/96/678584296.db2.gz GGYQFZAEYQQDDP-UHFFFAOYSA-N -1 0 302.294 -0.532 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CC(NCc3nnn(C)n3)C2)c1[O-] ZINC000998638382 678622250 /nfs/dbraw/zinc/62/22/50/678622250.db2.gz SYRCRWYMKPNNCC-UHFFFAOYSA-N -1 0 320.357 -0.660 20 0 DBADRM CC(C)[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000998838368 678651059 /nfs/dbraw/zinc/65/10/59/678651059.db2.gz SJBTWCKRXGLXDI-ZJUUUORDSA-N -1 0 323.353 -0.692 20 0 DBADRM Cc1nonc1CC(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000998906720 678655699 /nfs/dbraw/zinc/65/56/99/678655699.db2.gz KHSBLKKMRJKBEX-UHFFFAOYSA-N -1 0 320.309 -0.702 20 0 DBADRM O=C(c1ccnnc1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032647482 678679059 /nfs/dbraw/zinc/67/90/59/678679059.db2.gz XXAUPGYKMXVKLP-UWVGGRQHSA-N -1 0 301.310 -0.601 20 0 DBADRM COCCc1ccc(S(=O)(=O)NCC(=O)[N-]OC)cc1 ZINC000921685867 678729094 /nfs/dbraw/zinc/72/90/94/678729094.db2.gz BJLUXACFXUPTEX-UHFFFAOYSA-N -1 0 302.352 -0.169 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@H]3C[C@]34CCOC4)C2)c1[O-] ZINC000999718417 678737846 /nfs/dbraw/zinc/73/78/46/678737846.db2.gz OPEBQZJYRFBWLE-BMIGLBTASA-N -1 0 320.349 -0.209 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@@H]3C[C@]34CCOC4)C2)c1[O-] ZINC000999718621 678737848 /nfs/dbraw/zinc/73/78/48/678737848.db2.gz OPEBQZJYRFBWLE-BONVTDFDSA-N -1 0 320.349 -0.209 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)C[C@H](Cc1ccccc1)OC ZINC000921687951 678772311 /nfs/dbraw/zinc/77/23/11/678772311.db2.gz NMPUMFVEWHLYNT-LBPRGKRZSA-N -1 0 316.379 -0.159 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)Cc1cc(F)ccc1OC ZINC000921688119 678773032 /nfs/dbraw/zinc/77/30/32/678773032.db2.gz PCHCJTMPNCAYLD-UHFFFAOYSA-N -1 0 306.315 -0.069 20 0 DBADRM NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001032729904 678800625 /nfs/dbraw/zinc/80/06/25/678800625.db2.gz QHFRSHKHIFXBFY-YUMQZZPRSA-N -1 0 317.305 -0.688 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2=CCN([C@@H]3CCNC3=O)CC2)c1[O-] ZINC001000589265 678857869 /nfs/dbraw/zinc/85/78/69/678857869.db2.gz WLRKYNNFOWEMIQ-LLVKDONJSA-N -1 0 319.365 -0.326 20 0 DBADRM O=C(NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCCC1 ZINC001000633728 678863609 /nfs/dbraw/zinc/86/36/09/678863609.db2.gz CBICRWDZSXWXQJ-UHFFFAOYSA-N -1 0 321.337 -0.339 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3cnccn3)C2)c1[O-] ZINC001000721594 678868326 /nfs/dbraw/zinc/86/83/26/678868326.db2.gz GRIWNVLJOAIMRW-UHFFFAOYSA-N -1 0 316.321 -0.284 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](NCc2ccon2)C1 ZINC001000788045 678869827 /nfs/dbraw/zinc/86/98/27/678869827.db2.gz DLLPRRCEDTVTPS-SNVBAGLBSA-N -1 0 322.325 -0.542 20 0 DBADRM CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc([O-])n(C)c1=O ZINC001000897099 678880916 /nfs/dbraw/zinc/88/09/16/678880916.db2.gz IVTZRVPOUOCCCT-IEBDPFPHSA-N -1 0 320.349 -0.242 20 0 DBADRM Cn1cncc1C(=O)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001000910242 678881213 /nfs/dbraw/zinc/88/12/13/678881213.db2.gz KKTOHAKACSZIRZ-UHFFFAOYSA-N -1 0 317.353 -0.194 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001001064123 678899090 /nfs/dbraw/zinc/89/90/90/678899090.db2.gz DTCBWZKJONGEQD-PJXYFTJBSA-N -1 0 319.365 -0.349 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3ccnn3C)C2)c1[O-] ZINC001001132440 678907840 /nfs/dbraw/zinc/90/78/40/678907840.db2.gz FNQFXIWAXZEXGA-UHFFFAOYSA-N -1 0 318.337 -0.341 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCOC1 ZINC001001240980 678920474 /nfs/dbraw/zinc/92/04/74/678920474.db2.gz LCKHTJGFKDVAPO-LLVKDONJSA-N -1 0 309.370 -0.125 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCOC1 ZINC001001240983 678920659 /nfs/dbraw/zinc/92/06/59/678920659.db2.gz LCKHTJGFKDVAPO-NSHDSACASA-N -1 0 309.370 -0.125 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3cnn(C)n3)C2)c1[O-] ZINC001001451677 678936076 /nfs/dbraw/zinc/93/60/76/678936076.db2.gz AIGHKBYMKDMIDO-UHFFFAOYSA-N -1 0 319.325 -0.946 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)[C@H]3COCCO3)C2)c1[O-] ZINC001001452330 678936183 /nfs/dbraw/zinc/93/61/83/678936183.db2.gz DMNQLVCFZYDTRW-SNVBAGLBSA-N -1 0 324.337 -0.973 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1[O-] ZINC001001451493 678936363 /nfs/dbraw/zinc/93/63/63/678936363.db2.gz KARWQWDKYRKQSV-URLYPYJESA-N -1 0 320.349 -0.496 20 0 DBADRM Cn1ncc(C(=O)NCC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001001939412 678962915 /nfs/dbraw/zinc/96/29/15/678962915.db2.gz XORJPRIEPUTMHW-UHFFFAOYSA-N -1 0 320.357 -0.719 20 0 DBADRM CCC(=O)N1CCC[C@@H]1CN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001001982482 678964460 /nfs/dbraw/zinc/96/44/60/678964460.db2.gz QVGLJRMJJAJFBP-SNVBAGLBSA-N -1 0 322.365 -0.041 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)C1CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001002016815 678967193 /nfs/dbraw/zinc/96/71/93/678967193.db2.gz XXXNNIZMXLYAAA-VIFPVBQESA-N -1 0 321.337 -0.244 20 0 DBADRM CCOCCOCC[N-]S(=O)(=O)N=[S@@](C)(=O)CC ZINC000921887977 678976878 /nfs/dbraw/zinc/97/68/78/678976878.db2.gz HMLBTARVSSZCGP-KRWDZBQOSA-N -1 0 302.418 -0.008 20 0 DBADRM Cc1cc(C(=O)NC2CCN(Cc3nc(=O)n(C)[nH]3)CC2)on1 ZINC001002336259 678977425 /nfs/dbraw/zinc/97/74/25/678977425.db2.gz YAESESBHUQRVRO-UHFFFAOYSA-N -1 0 320.353 -0.201 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1COCCO1 ZINC001002370760 678978522 /nfs/dbraw/zinc/97/85/22/678978522.db2.gz KJWDIEXBBYYDKH-JTQLQIEISA-N -1 0 311.342 -0.994 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCN(CC(=O)N3CCC3)CC2)c1[O-] ZINC001002608449 678991159 /nfs/dbraw/zinc/99/11/59/678991159.db2.gz RRKNTFZFSZPHCI-UHFFFAOYSA-N -1 0 321.381 -0.150 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCN(Cc3nnn(C)n3)CC2)c1[O-] ZINC001002614479 678992261 /nfs/dbraw/zinc/99/22/61/678992261.db2.gz FNGVDTOMZAFAKY-UHFFFAOYSA-N -1 0 320.357 -0.658 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1CC1 ZINC001002731913 678999133 /nfs/dbraw/zinc/99/91/33/678999133.db2.gz ZWUZUGVTJIRBIB-SECBINFHSA-N -1 0 321.337 -0.244 20 0 DBADRM Cn1nncc1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002731832 678999188 /nfs/dbraw/zinc/99/91/88/678999188.db2.gz RUQUAOXIRUANNC-UHFFFAOYSA-N -1 0 306.330 -0.967 20 0 DBADRM CCn1nncc1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002753407 678999606 /nfs/dbraw/zinc/99/96/06/678999606.db2.gz IAGMYGPVKXOMKQ-UHFFFAOYSA-N -1 0 320.357 -0.484 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3cnn(C)n3)C2)c1[O-] ZINC001003226478 679028462 /nfs/dbraw/zinc/02/84/62/679028462.db2.gz FPSOXKLEYHKPNJ-UHFFFAOYSA-N -1 0 319.325 -0.946 20 0 DBADRM O=C(NC1CCN(Cc2cnon2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001003250946 679030823 /nfs/dbraw/zinc/03/08/23/679030823.db2.gz PBVLUSIEGZKODJ-UHFFFAOYSA-N -1 0 321.297 -0.940 20 0 DBADRM Cn1nc(CN2CCC(NC(=O)c3cc(F)c[nH]3)CC2)[n-]c1=O ZINC001003327500 679032954 /nfs/dbraw/zinc/03/29/54/679032954.db2.gz NLOSPXNQLCLGFB-UHFFFAOYSA-N -1 0 322.344 -0.030 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3csnn3)C2)c1[O-] ZINC001003361089 679035373 /nfs/dbraw/zinc/03/53/73/679035373.db2.gz JJZLJEQOEWLJLJ-UHFFFAOYSA-N -1 0 322.350 -0.223 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003392270 679037534 /nfs/dbraw/zinc/03/75/34/679037534.db2.gz VMNNDEVQRLPVEE-HTRCEHHLSA-N -1 0 307.310 -0.873 20 0 DBADRM O=C(CC1CC1)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003394138 679037564 /nfs/dbraw/zinc/03/75/64/679037564.db2.gz UWSDZXIOZIMQLL-UHFFFAOYSA-N -1 0 307.310 -0.729 20 0 DBADRM CCC(CC)C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003392733 679037947 /nfs/dbraw/zinc/03/79/47/679037947.db2.gz DYJRLECXEDSSLA-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1nn[nH]c1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003416855 679038814 /nfs/dbraw/zinc/03/88/14/679038814.db2.gz ZVGLXBQLWGTKEN-UHFFFAOYSA-N -1 0 306.330 -0.669 20 0 DBADRM Cn1c(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c[nH]c1=O ZINC001003433160 679039767 /nfs/dbraw/zinc/03/97/67/679039767.db2.gz FAUVXTJTAFGMSP-UHFFFAOYSA-N -1 0 321.341 -0.656 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H]1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003430035 679040200 /nfs/dbraw/zinc/04/02/00/679040200.db2.gz VJRIHCRYRXCRMW-ZJUUUORDSA-N -1 0 322.369 -0.898 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)c2c(C)nc[nH]c2=O)CC1 ZINC001003475043 679042909 /nfs/dbraw/zinc/04/29/09/679042909.db2.gz KKHYPKBALLKDKI-UHFFFAOYSA-N -1 0 307.354 -0.569 20 0 DBADRM C/C=C(/C)C(=O)N1CC(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001003549318 679048451 /nfs/dbraw/zinc/04/84/51/679048451.db2.gz WIIZYMKDKJAKPG-WTKPLQERSA-N -1 0 320.349 -0.360 20 0 DBADRM C[C@@]1(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCNC1=O ZINC001003617309 679054698 /nfs/dbraw/zinc/05/46/98/679054698.db2.gz XFONRVYRWBNHOD-CQSZACIVSA-N -1 0 322.369 -0.883 20 0 DBADRM CN(C(=O)c1cc[n+]([O-])cc1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032890300 679073301 /nfs/dbraw/zinc/07/33/01/679073301.db2.gz KOJFRKDOZIBQKA-NSHDSACASA-N -1 0 318.337 -0.510 20 0 DBADRM CN(C(=O)[C@@H]1CCCOC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032954958 679085527 /nfs/dbraw/zinc/08/55/27/679085527.db2.gz IFHMQDIFUDVSNX-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C(=O)c1nccnc1N)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032964674 679088123 /nfs/dbraw/zinc/08/81/23/679088123.db2.gz JQGHTSRYLTZWKQ-MRVPVSSYSA-N -1 0 318.341 -0.771 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(CC(=O)NC3CC3)C2)c1[O-] ZINC001033010795 679098519 /nfs/dbraw/zinc/09/85/19/679098519.db2.gz VPIKEZBNTULSJX-LLVKDONJSA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(Cc3cnn(C)n3)C2)c1[O-] ZINC001033011198 679098652 /nfs/dbraw/zinc/09/86/52/679098652.db2.gz ZHAONNBQFQDGPS-NSHDSACASA-N -1 0 319.369 -0.101 20 0 DBADRM CC[C@@H](C(N)=O)N1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001033017294 679099312 /nfs/dbraw/zinc/09/93/12/679099312.db2.gz UYVNVINNLDZNLH-UWVGGRQHSA-N -1 0 309.370 -0.166 20 0 DBADRM CNC(=O)[C@@H](C)N1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001033014474 679099653 /nfs/dbraw/zinc/09/96/53/679099653.db2.gz LIIALRFJYKLPPH-NXEZZACHSA-N -1 0 309.370 -0.295 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000922559503 679117051 /nfs/dbraw/zinc/11/70/51/679117051.db2.gz CSJBPXNIJSHTHZ-VIFPVBQESA-N -1 0 324.312 -0.092 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)c1cc(C(=O)[O-])ccn1 ZINC000841500044 805573879 /nfs/dbraw/zinc/57/38/79/805573879.db2.gz IXINOASVMOTKAB-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)COC)CC1=O ZINC000842310683 805589934 /nfs/dbraw/zinc/58/99/34/805589934.db2.gz LLZOUXYLRNSCDE-UWVGGRQHSA-N -1 0 306.384 -0.274 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC000842319879 805590807 /nfs/dbraw/zinc/59/08/07/805590807.db2.gz RACOYTQANWBAPS-SNVBAGLBSA-N -1 0 305.400 -0.052 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)OCC)CC1=O ZINC000842330208 805590715 /nfs/dbraw/zinc/59/07/15/805590715.db2.gz GIXAHSLADFTBTQ-VIFPVBQESA-N -1 0 320.367 -0.746 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)CC1=O ZINC000842326810 805590854 /nfs/dbraw/zinc/59/08/54/805590854.db2.gz GAPJMJJWBKOIEC-QWRGUYRKSA-N -1 0 318.395 -0.273 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)Cn1cc(Cl)cn1 ZINC000842356921 805590911 /nfs/dbraw/zinc/59/09/11/805590911.db2.gz CWMFJYFMEZPNLM-UHFFFAOYSA-N -1 0 309.731 -0.454 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)OC)C(C)C ZINC000842355927 805590944 /nfs/dbraw/zinc/59/09/44/805590944.db2.gz BZKANZMIAVKJCO-VIFPVBQESA-N -1 0 324.355 -0.624 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H](C)C(=O)OC(C)(C)C ZINC000842356100 805591025 /nfs/dbraw/zinc/59/10/25/805591025.db2.gz RCQGVKLOQVERAV-QMMMGPOBSA-N -1 0 323.367 -0.027 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)CC1=O ZINC000842333951 805591067 /nfs/dbraw/zinc/59/10/67/805591067.db2.gz MLDHXZVESAQRRD-BDAKNGLRSA-N -1 0 320.367 -0.748 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)C2(COC)CC2)CC1=O ZINC000842362671 805592076 /nfs/dbraw/zinc/59/20/76/805592076.db2.gz NRNDUYNICHRVGQ-SNVBAGLBSA-N -1 0 318.395 -0.130 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cn(C)cn2)CC1=O ZINC000842376602 805592173 /nfs/dbraw/zinc/59/21/73/805592173.db2.gz RWQTWGCJFYEUJO-VIFPVBQESA-N -1 0 314.367 -0.517 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@@H]2CCCNC2=O)ccc1[O-] ZINC001295842981 805594287 /nfs/dbraw/zinc/59/42/87/805594287.db2.gz IPUAMPJAXQAIAZ-MRVPVSSYSA-N -1 0 313.335 -0.496 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000842697476 805596567 /nfs/dbraw/zinc/59/65/67/805596567.db2.gz PTBKMGARNKLSPY-UHFFFAOYSA-N -1 0 313.383 -0.308 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000842713729 805596746 /nfs/dbraw/zinc/59/67/46/805596746.db2.gz BNNOKOVRMYOMDV-VIFPVBQESA-N -1 0 318.351 -0.994 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)Cc1nc(C2CC2)nn1C ZINC000842710390 805597207 /nfs/dbraw/zinc/59/72/07/805597207.db2.gz LNQBEGJPVQNEFM-UHFFFAOYSA-N -1 0 315.399 -0.064 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@@H]1CCCN1C(=O)C1CC1 ZINC000842715887 805597838 /nfs/dbraw/zinc/59/78/38/805597838.db2.gz HMARRCKKYJQLER-QWRGUYRKSA-N -1 0 316.379 -0.378 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)CC(=O)OC)CCCC1 ZINC000842714101 805597942 /nfs/dbraw/zinc/59/79/42/805597942.db2.gz KUGRFBLPHVAMBO-UHFFFAOYSA-N -1 0 321.351 -0.271 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)C12CC(C(=O)OC)(C1)C2 ZINC000842714242 805598178 /nfs/dbraw/zinc/59/81/78/805598178.db2.gz MAMXGJAHEUEZKC-UHFFFAOYSA-N -1 0 305.352 -0.188 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@@H]1CCc2ncncc2C1 ZINC000842716459 805598467 /nfs/dbraw/zinc/59/84/67/805598467.db2.gz OWJUSEFPOAOWBM-MWLCHTKSSA-N -1 0 311.363 -0.184 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1cn(C2CCC2)nn1 ZINC000842716838 805598637 /nfs/dbraw/zinc/59/86/37/805598637.db2.gz QUYRFNXTNMKPAM-SECBINFHSA-N -1 0 300.340 -0.148 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCc1ccnc(C)n1 ZINC000842714784 805598642 /nfs/dbraw/zinc/59/86/42/805598642.db2.gz VTMZSVCBJZZDML-UHFFFAOYSA-N -1 0 301.324 -0.663 20 0 DBADRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C(=O)OC(C)(C)C ZINC000842752944 805599508 /nfs/dbraw/zinc/59/95/08/805599508.db2.gz AISZBUNIZRJBIL-SECBINFHSA-N -1 0 322.383 -0.468 20 0 DBADRM CC(C)Cn1nccc1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000842770540 805600237 /nfs/dbraw/zinc/60/02/37/805600237.db2.gz ZJXKFFJOGIJZTK-UHFFFAOYSA-N -1 0 312.355 -0.214 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000842763627 805600634 /nfs/dbraw/zinc/60/06/34/805600634.db2.gz ATOJHKMUBPEQHX-SNVBAGLBSA-N -1 0 323.349 -0.199 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)C12CC(C(=O)OC)(C1)C2 ZINC000842797878 805601074 /nfs/dbraw/zinc/60/10/74/805601074.db2.gz MKZQQESHFREJKD-UHFFFAOYSA-N -1 0 319.335 -0.661 20 0 DBADRM CC(C)C[C@@H](NN(C)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000843043777 805606791 /nfs/dbraw/zinc/60/67/91/805606791.db2.gz HARQRCURDNAPIF-LLVKDONJSA-N -1 0 307.416 -0.042 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCc2ccnn2C)C[C@@H]1C(=O)[O-] ZINC000843257708 805613071 /nfs/dbraw/zinc/61/30/71/805613071.db2.gz SXDFSEYFSCNTCW-JQWIXIFHSA-N -1 0 322.365 -0.352 20 0 DBADRM CCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1=O ZINC000843256444 805613339 /nfs/dbraw/zinc/61/33/39/805613339.db2.gz FTSSXYOLELAXDL-IVZWLZJFSA-N -1 0 311.338 -0.907 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCc2ccnn2C)C[C@H]1C(=O)[O-] ZINC000843257707 805613423 /nfs/dbraw/zinc/61/34/23/805613423.db2.gz SXDFSEYFSCNTCW-CMPLNLGQSA-N -1 0 322.365 -0.352 20 0 DBADRM CS(=O)(=O)CCN(C(=O)C(=O)NCCCC(=O)[O-])C1CC1 ZINC000843260053 805613433 /nfs/dbraw/zinc/61/34/33/805613433.db2.gz VQVORIRVDHFBAD-UHFFFAOYSA-N -1 0 320.367 -0.997 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000843259018 805613479 /nfs/dbraw/zinc/61/34/79/805613479.db2.gz HMAGVJCBUHFGOD-LPEHRKFASA-N -1 0 311.338 -0.955 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCc2cc(Cl)nnc2C1 ZINC000843258391 805613487 /nfs/dbraw/zinc/61/34/87/805613487.db2.gz AGCDAGCQVNRSER-UHFFFAOYSA-N -1 0 312.713 -0.394 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000843257009 805613656 /nfs/dbraw/zinc/61/36/56/805613656.db2.gz JSTWOGKIRFZHBY-SNVBAGLBSA-N -1 0 314.338 -0.231 20 0 DBADRM O=C([O-])COCC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000843333363 805617964 /nfs/dbraw/zinc/61/79/64/805617964.db2.gz YDXREBRRSQLTSF-MFKMUULPSA-N -1 0 301.339 -0.229 20 0 DBADRM Cn1ccc(N2CCC[C@@H](NC(=O)COCC(=O)[O-])C2=O)n1 ZINC000843329830 805618013 /nfs/dbraw/zinc/61/80/13/805618013.db2.gz NTRMAAWNNJDTNU-SECBINFHSA-N -1 0 310.310 -0.867 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000843335145 805618242 /nfs/dbraw/zinc/61/82/42/805618242.db2.gz MGXLKWRYTWYLER-ZJUUUORDSA-N -1 0 307.368 -0.383 20 0 DBADRM CCn1c(=O)c2ccc(C(=O)NCC(N)=O)cc2[n-]c1=S ZINC000843408120 805621543 /nfs/dbraw/zinc/62/15/43/805621543.db2.gz VVJHURRVJZXCDU-UHFFFAOYSA-N -1 0 306.347 -0.080 20 0 DBADRM Cc1ccc(C)c(S(=O)(=O)NCC(=O)[N-]OCCO)c1 ZINC000843857858 805637971 /nfs/dbraw/zinc/63/79/71/805637971.db2.gz DGWOSDLFGWAYKS-UHFFFAOYSA-N -1 0 302.352 -0.378 20 0 DBADRM CC(=O)c1cccc(S(=O)(=O)NCC(=O)[N-]OCCO)c1 ZINC000843859450 805637979 /nfs/dbraw/zinc/63/79/79/805637979.db2.gz QUWZOTGREYTILR-UHFFFAOYSA-N -1 0 316.335 -0.792 20 0 DBADRM COC(=O)c1n[nH]cc1NC(=O)c1c[n-]n2c1nccc2=O ZINC001296603737 805644322 /nfs/dbraw/zinc/64/43/22/805644322.db2.gz QDFBRZQUETUXDD-UHFFFAOYSA-N -1 0 302.250 -0.215 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(c2ncncc2C(=O)[O-])C1 ZINC000844208341 805653340 /nfs/dbraw/zinc/65/33/40/805653340.db2.gz IOZNQHILUXGJLI-MRVPVSSYSA-N -1 0 300.340 -0.320 20 0 DBADRM CCCCOC(=O)[C@@H](C)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000844240347 805654341 /nfs/dbraw/zinc/65/43/41/805654341.db2.gz DPXQVYBOIHLVFM-ZJUUUORDSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000844244905 805654409 /nfs/dbraw/zinc/65/44/09/805654409.db2.gz FBRGJZNIGNPYCC-UWVGGRQHSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C([O-])COCC(=O)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000844243972 805654472 /nfs/dbraw/zinc/65/44/72/805654472.db2.gz NQLMRADXVSQUDK-QMMMGPOBSA-N -1 0 319.260 -0.078 20 0 DBADRM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)COCC(=O)[O-])C1 ZINC000844245493 805655011 /nfs/dbraw/zinc/65/50/11/805655011.db2.gz RRBYBJYQZDNOLY-SNVBAGLBSA-N -1 0 321.333 -0.418 20 0 DBADRM COCCCN(C(=O)COCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000844248826 805655371 /nfs/dbraw/zinc/65/53/71/805655371.db2.gz GHYJFZUBVSAKBK-SNVBAGLBSA-N -1 0 323.367 -0.860 20 0 DBADRM CCOC(=O)[C@]1(COC)CCCN(C(=O)COCC(=O)[O-])C1 ZINC000844254361 805655466 /nfs/dbraw/zinc/65/54/66/805655466.db2.gz RXNDPRYKCDVCQP-CQSZACIVSA-N -1 0 317.338 -0.094 20 0 DBADRM COC(=O)CCN(C[C@H]1CCCO1)C(=O)COCC(=O)[O-] ZINC000844255014 805655617 /nfs/dbraw/zinc/65/56/17/805655617.db2.gz GINCBMYHLNFHKB-SNVBAGLBSA-N -1 0 303.311 -0.342 20 0 DBADRM O=C([O-])COCC(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000844245840 805655674 /nfs/dbraw/zinc/65/56/74/805655674.db2.gz UQTWXZXSDVDOHF-LLVKDONJSA-N -1 0 314.338 -0.673 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000844599860 805665359 /nfs/dbraw/zinc/66/53/59/805665359.db2.gz OPNMEWOQLPWIEA-UHFFFAOYSA-N -1 0 312.330 -0.873 20 0 DBADRM Cn1ncc(CNS(=O)(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC000844889867 805674769 /nfs/dbraw/zinc/67/47/69/805674769.db2.gz WCPHEYIRFLMFBL-UHFFFAOYSA-N -1 0 310.335 -0.079 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C[C@H](OC)C(F)(F)F ZINC000845486156 805706446 /nfs/dbraw/zinc/70/64/46/805706446.db2.gz YCTWIJPONBCOON-ZETCQYMHSA-N -1 0 322.305 -0.107 20 0 DBADRM CC[C@@H](CNC(=O)C1CC=CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001297375062 805702275 /nfs/dbraw/zinc/70/22/75/805702275.db2.gz COOHTZJNWSXPKS-JTQLQIEISA-N -1 0 323.353 -0.334 20 0 DBADRM CCC(CC)CS(=O)(=O)[N-]C(=O)Cn1cnc(C(N)=O)n1 ZINC000845469377 805705021 /nfs/dbraw/zinc/70/50/21/805705021.db2.gz ZMSLNUUOZBDCTI-UHFFFAOYSA-N -1 0 317.371 -0.741 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)Cc1cn2c(n1)CCCC2 ZINC000845469945 805705329 /nfs/dbraw/zinc/70/53/29/805705329.db2.gz YHIZBVARPCKSAZ-UHFFFAOYSA-N -1 0 301.368 -0.146 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C[C@H](C)n1ccnc1 ZINC000845485362 805705836 /nfs/dbraw/zinc/70/58/36/805705836.db2.gz UZKVCSILFGHBNH-JTQLQIEISA-N -1 0 304.372 -0.227 20 0 DBADRM CCn1ccc(CC(=O)[N-]S(=O)(=O)N2CCOCC2)n1 ZINC000845475073 805705966 /nfs/dbraw/zinc/70/59/66/805705966.db2.gz DKQXUKSEGKGOLH-UHFFFAOYSA-N -1 0 302.356 -0.861 20 0 DBADRM CCC[C@H](C)C(=O)NCCNC(=O)NCC(=O)[N-]OCC ZINC000845532609 805709422 /nfs/dbraw/zinc/70/94/22/805709422.db2.gz PUDDNTDFDOVADN-JTQLQIEISA-N -1 0 302.375 -0.094 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@@H](CS(C)(=O)=O)C1 ZINC000845531189 805709588 /nfs/dbraw/zinc/70/95/88/805709588.db2.gz AVBCBSYKVIVWPZ-SECBINFHSA-N -1 0 307.372 -0.870 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@]2(CCSC2)C1 ZINC000845531789 805709658 /nfs/dbraw/zinc/70/96/58/805709658.db2.gz CYBJJTCWZLEYHO-GFCCVEGCSA-N -1 0 303.384 -0.028 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H](CC(N)=O)c1ccccc1 ZINC000845532194 805709720 /nfs/dbraw/zinc/70/97/20/805709720.db2.gz KTICBSDYEMZQFD-LLVKDONJSA-N -1 0 308.338 -0.030 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@H]1CC[C@H](C(N)=O)CC1 ZINC000845535172 805710510 /nfs/dbraw/zinc/71/05/10/805710510.db2.gz RMZGZSIVCPSMBM-MGCOHNPYSA-N -1 0 300.359 -0.355 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1ccc(OC)nc1OC ZINC000845533699 805710711 /nfs/dbraw/zinc/71/07/11/805710711.db2.gz ZHOOCGWOIPUGJT-UHFFFAOYSA-N -1 0 312.326 -0.034 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H](C)C1(OC)CCOCC1 ZINC000845536031 805710814 /nfs/dbraw/zinc/71/08/14/805710814.db2.gz ZXPPRPABMBQBDF-SNVBAGLBSA-N -1 0 303.359 -0.063 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000845538566 805711920 /nfs/dbraw/zinc/71/19/20/805711920.db2.gz ORUJNSDSSHCZEV-UHFFFAOYSA-N -1 0 312.248 -0.572 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@@]1(O)C[C@@H](OCC)C1(C)C ZINC000845537949 805712180 /nfs/dbraw/zinc/71/21/80/805712180.db2.gz JGBAWKXOCKNNQD-YGRLFVJLSA-N -1 0 317.386 -0.081 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCc1cccc(C(N)=O)c1 ZINC000845539635 805712192 /nfs/dbraw/zinc/71/21/92/805712192.db2.gz WQGGWZISANZNPE-UHFFFAOYSA-N -1 0 308.338 -0.305 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCOC[C@@H]1OCCOC ZINC000845537533 805712302 /nfs/dbraw/zinc/71/23/02/805712302.db2.gz KGPQCUBMJBBEPR-QWRGUYRKSA-N -1 0 319.358 -0.826 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(C)(C)S(=O)(=O)CC1 ZINC000845537436 805712377 /nfs/dbraw/zinc/71/23/77/805712377.db2.gz FBSJBYWIQZSMHV-UHFFFAOYSA-N -1 0 321.399 -0.337 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000845538199 805712396 /nfs/dbraw/zinc/71/23/96/805712396.db2.gz KQQDNNAQVMLQAK-TXEJJXNPSA-N -1 0 316.402 -0.195 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCOC[C@H]1c1noc(C)n1 ZINC000845542025 805713175 /nfs/dbraw/zinc/71/31/75/805713175.db2.gz YKBNPLSSYZMRHR-VIFPVBQESA-N -1 0 313.314 -0.471 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000845541132 805713257 /nfs/dbraw/zinc/71/32/57/805713257.db2.gz SVLKYPJOZYCBQC-VIFPVBQESA-N -1 0 307.372 -0.727 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCS(=O)(=O)C(C)(C)C ZINC000845544250 805713368 /nfs/dbraw/zinc/71/33/68/805713368.db2.gz IHZFAGUFHJMLQL-UHFFFAOYSA-N -1 0 309.388 -0.433 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCCCC[C@H]1C(N)=O ZINC000845542686 805713456 /nfs/dbraw/zinc/71/34/56/805713456.db2.gz WBSVBQQYROELEE-ZJUUUORDSA-N -1 0 300.359 -0.213 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000845546886 805714146 /nfs/dbraw/zinc/71/41/46/805714146.db2.gz FSZAOTKQNFEORQ-MNOVXSKESA-N -1 0 302.375 -0.538 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(CC)[C@H](C)CS(C)(=O)=O ZINC000845546383 805714173 /nfs/dbraw/zinc/71/41/73/805714173.db2.gz SJJPKGXJSIRRHB-SECBINFHSA-N -1 0 309.388 -0.481 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000845547809 805714583 /nfs/dbraw/zinc/71/45/83/805714583.db2.gz WUUQPFPPZUZCCN-UHFFFAOYSA-N -1 0 300.359 -0.436 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000845546842 805714664 /nfs/dbraw/zinc/71/46/64/805714664.db2.gz DXJWMJABNBSAKC-SNVBAGLBSA-N -1 0 301.343 -0.151 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000845552017 805715194 /nfs/dbraw/zinc/71/51/94/805715194.db2.gz ADWUSICEADSIAK-GFCCVEGCSA-N -1 0 314.386 -0.440 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC(=O)NCC(F)(F)F ZINC000845549492 805715270 /nfs/dbraw/zinc/71/52/70/805715270.db2.gz JRXZFINQJXWCJJ-UHFFFAOYSA-N -1 0 300.237 -0.968 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCCN(CC)S(C)(=O)=O ZINC000845549847 805715448 /nfs/dbraw/zinc/71/54/48/805715448.db2.gz MKZNTDAOMLMDRI-UHFFFAOYSA-N -1 0 324.403 -0.975 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1ccc(C(=O)NC)cc1 ZINC000845550034 805715623 /nfs/dbraw/zinc/71/56/23/805715623.db2.gz KLFVCFAGDTYWFE-UHFFFAOYSA-N -1 0 308.338 -0.087 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(c2cnccn2)CC1 ZINC000845551979 805715658 /nfs/dbraw/zinc/71/56/58/805715658.db2.gz XOMLEEDLDIUHLD-UHFFFAOYSA-N -1 0 308.342 -0.624 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC000845550597 805715670 /nfs/dbraw/zinc/71/56/70/805715670.db2.gz OHVJZBZYFBLOEZ-SECBINFHSA-N -1 0 312.326 -0.349 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](CNC(C)=O)C1 ZINC000845549333 805715910 /nfs/dbraw/zinc/71/59/10/805715910.db2.gz XFEGPFRMGMYVCN-NSHDSACASA-N -1 0 300.359 -0.388 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000845570604 805719987 /nfs/dbraw/zinc/71/99/87/805719987.db2.gz CZQBYAZSCQQTAF-UHFFFAOYSA-N -1 0 316.383 -0.304 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)CN(C)C(C)=O)c1 ZINC000845881310 805730649 /nfs/dbraw/zinc/73/06/49/805730649.db2.gz WHTZTDZYRFIAMO-UHFFFAOYSA-N -1 0 318.307 -0.651 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(C)=O)c1 ZINC000845876913 805731175 /nfs/dbraw/zinc/73/11/75/805731175.db2.gz AWSBYYNIODNRIU-LURJTMIESA-N -1 0 318.307 -0.604 20 0 DBADRM COC(=O)[C@@H](F)CNS(=O)(=O)CC1(OC)CCOCC1 ZINC000845947217 805735254 /nfs/dbraw/zinc/73/52/54/805735254.db2.gz XHKJDWRJPAEPQS-VIFPVBQESA-N -1 0 313.347 -0.388 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cccc2c1OCO2 ZINC000846003243 805740147 /nfs/dbraw/zinc/74/01/47/805740147.db2.gz UIHGZHMRGWFZBG-UHFFFAOYSA-N -1 0 302.308 -0.239 20 0 DBADRM COc1ccccc1CO[N-]C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000846067217 805742279 /nfs/dbraw/zinc/74/22/79/805742279.db2.gz PAXIMOIHEUMXCJ-JTQLQIEISA-N -1 0 300.336 -0.065 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1c(C)noc1C1CC1 ZINC000846133102 805744948 /nfs/dbraw/zinc/74/49/48/805744948.db2.gz KJZDTULJWCREQC-UHFFFAOYSA-N -1 0 310.310 -0.017 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cnc(C(C)C)nc1 ZINC000846132521 805745274 /nfs/dbraw/zinc/74/52/74/805745274.db2.gz HGLFAYSMKRQVGG-UHFFFAOYSA-N -1 0 309.326 -0.278 20 0 DBADRM Cn1cc([C@H](NC(=O)c2cc(=O)[nH][n-]2)C2(CO)CCC2)cn1 ZINC000846202052 805749214 /nfs/dbraw/zinc/74/92/14/805749214.db2.gz SRHOIMLIVVAIAO-LBPRGKRZSA-N -1 0 305.338 -0.384 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O ZINC000846490359 805756611 /nfs/dbraw/zinc/75/66/11/805756611.db2.gz IIDVPXMNOAELRI-AWEZNQCLSA-N -1 0 311.338 -0.908 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000846493266 805756675 /nfs/dbraw/zinc/75/66/75/805756675.db2.gz SXZPSNPBIQXXOR-UHFFFAOYSA-N -1 0 320.309 -0.532 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(OC)c(OCCO)c1 ZINC000846491775 805756842 /nfs/dbraw/zinc/75/68/42/805756842.db2.gz UOMVNSILAKNCDF-UHFFFAOYSA-N -1 0 312.322 -0.136 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@](C)(O)Cn1ccc(C)cc1=O ZINC000846490360 805757037 /nfs/dbraw/zinc/75/70/37/805757037.db2.gz IIDVPXMNOAELRI-CQSZACIVSA-N -1 0 311.338 -0.908 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000846493199 805757096 /nfs/dbraw/zinc/75/70/96/805757096.db2.gz RHVHOAZUDUWICU-UHFFFAOYSA-N -1 0 315.276 -0.122 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000846494138 805757856 /nfs/dbraw/zinc/75/78/56/805757856.db2.gz NCNOOLJHOYSARZ-SECBINFHSA-N -1 0 309.388 -0.866 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000846497402 805758366 /nfs/dbraw/zinc/75/83/66/805758366.db2.gz NFTBMZDJABSEAT-UHFFFAOYSA-N -1 0 300.336 -0.112 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CCNC(=O)OCC(F)(F)F ZINC000846497145 805758480 /nfs/dbraw/zinc/75/84/80/805758480.db2.gz LNJZXIOFXUQWLI-UHFFFAOYSA-N -1 0 315.248 -0.151 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CCS(=O)(=O)C1CCCC1 ZINC000846496303 805758514 /nfs/dbraw/zinc/75/85/14/805758514.db2.gz BKWPZPICKMZDFV-UHFFFAOYSA-N -1 0 306.384 -0.082 20 0 DBADRM CCO[N-]C(=O)CNC(=O)/C=C\c1cncc(C(=O)NC)c1 ZINC000846497130 805758555 /nfs/dbraw/zinc/75/85/55/805758555.db2.gz VLNSQBHRNGFPQF-PLNGDYQASA-N -1 0 306.322 -0.362 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cn1cc(Br)cn1 ZINC000846498126 805758987 /nfs/dbraw/zinc/75/89/87/805758987.db2.gz SVWLSNFBZRAENG-UHFFFAOYSA-N -1 0 305.132 -0.171 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000846497934 805759314 /nfs/dbraw/zinc/75/93/14/805759314.db2.gz YXOJLIUPCWASHJ-UFBFGSQYSA-N -1 0 301.368 -0.376 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000846498700 805759522 /nfs/dbraw/zinc/75/95/22/805759522.db2.gz MRXCOZVOJHDSMR-UHFFFAOYSA-N -1 0 318.337 -0.168 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNC(=O)c1ccccc1OCC ZINC000846498624 805759653 /nfs/dbraw/zinc/75/96/53/805759653.db2.gz DHFHOQVAZHWLSI-UHFFFAOYSA-N -1 0 323.349 -0.001 20 0 DBADRM COCC(=O)NCC=CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001298216270 805768288 /nfs/dbraw/zinc/76/82/88/805768288.db2.gz FGEVCQOZVUBQKK-IHWYPQMZSA-N -1 0 320.305 -0.023 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000846703919 805772007 /nfs/dbraw/zinc/77/20/07/805772007.db2.gz AWTVSBHEQACPJK-GFCCVEGCSA-N -1 0 304.368 -0.147 20 0 DBADRM CN(C)c1ccc(N2C(=O)C[C@H](NCc3nnn[n-]3)C2=O)cc1 ZINC000846702695 805772396 /nfs/dbraw/zinc/77/23/96/805772396.db2.gz OVAKSUJGBWRQIT-NSHDSACASA-N -1 0 315.337 -0.313 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc3c(n2)OCCO3)cn1 ZINC000847620369 805809618 /nfs/dbraw/zinc/80/96/18/805809618.db2.gz KJWFLLPPNRYARQ-UHFFFAOYSA-N -1 0 324.318 -0.295 20 0 DBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2ccccc2C)c(=O)n1C ZINC000847618601 805810063 /nfs/dbraw/zinc/81/00/63/805810063.db2.gz NEMOJWWFCJJPLB-UHFFFAOYSA-N -1 0 324.362 -0.296 20 0 DBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)CCC(C)C)c(=O)n1C ZINC000847645373 805810491 /nfs/dbraw/zinc/81/04/91/805810491.db2.gz XFLNFQWRZQFMFN-UHFFFAOYSA-N -1 0 304.372 -0.618 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cnc(N(C)C)cn2)cn1 ZINC000847658573 805810521 /nfs/dbraw/zinc/81/05/21/805810521.db2.gz QVFKXJJDWJVYAZ-UHFFFAOYSA-N -1 0 324.366 -0.122 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cc(OC)cnc1F ZINC000847709501 805813294 /nfs/dbraw/zinc/81/32/94/805813294.db2.gz YRFHVNFEUUHLEB-UHFFFAOYSA-N -1 0 320.298 -0.148 20 0 DBADRM C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995231 805818685 /nfs/dbraw/zinc/81/86/85/805818685.db2.gz CADWCWHJIOMFQP-ZCFIWIBFSA-N -1 0 317.323 -0.607 20 0 DBADRM CC(Cl)(Cl)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995139 805818746 /nfs/dbraw/zinc/81/87/46/805818746.db2.gz AUVAXDJAEPKPSE-UHFFFAOYSA-N -1 0 316.122 -0.228 20 0 DBADRM CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000847846852 805816366 /nfs/dbraw/zinc/81/63/66/805816366.db2.gz XTBXXDOHWLFDSA-UHFFFAOYSA-N -1 0 311.367 -0.024 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@H]2CCCNC2=O)c1[O-] ZINC001298571280 805816433 /nfs/dbraw/zinc/81/64/33/805816433.db2.gz WNQDZZCQDULNDK-APPZFPTMSA-N -1 0 323.353 -0.816 20 0 DBADRM CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996325 805819063 /nfs/dbraw/zinc/81/90/63/805819063.db2.gz JZCWWYSSHSFTCU-ZETCQYMHSA-N -1 0 305.312 -0.607 20 0 DBADRM CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996324 805819111 /nfs/dbraw/zinc/81/91/11/805819111.db2.gz JZCWWYSSHSFTCU-SSDOTTSWSA-N -1 0 305.312 -0.607 20 0 DBADRM CO[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998071 805819704 /nfs/dbraw/zinc/81/97/04/805819704.db2.gz KTBATOAKBFIDEH-MRVPVSSYSA-N -1 0 319.339 -0.361 20 0 DBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)CSC(F)F)on1 ZINC000847998216 805820297 /nfs/dbraw/zinc/82/02/97/805820297.db2.gz PLIRJVMQSIVUJS-UHFFFAOYSA-N -1 0 315.279 -0.466 20 0 DBADRM CCO/C=C\[C@](O)(CNC(=O)c1cc(=O)[nH][n-]1)C(F)(F)F ZINC000848182766 805830114 /nfs/dbraw/zinc/83/01/14/805830114.db2.gz SURPITYQTQDIEC-XOULXFPDSA-N -1 0 309.244 -0.178 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000848242637 805832085 /nfs/dbraw/zinc/83/20/85/805832085.db2.gz KRXOWMVBOSWLEA-UHFFFAOYSA-N -1 0 317.342 -0.848 20 0 DBADRM O=C([O-])c1cnc(C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)cn1 ZINC000848457858 805838208 /nfs/dbraw/zinc/83/82/08/805838208.db2.gz LUXMRSWODFPJBV-QMMMGPOBSA-N -1 0 306.278 -0.112 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)CCCCC(=O)[O-])CC1 ZINC000848449577 805838442 /nfs/dbraw/zinc/83/84/42/805838442.db2.gz RIUDRLARFVRFBA-UHFFFAOYSA-N -1 0 314.338 -0.135 20 0 DBADRM C[C@@H](CNC(=O)NC[C@@H]1COC2(CCOCC2)O1)C(=O)[O-] ZINC000848581660 805841335 /nfs/dbraw/zinc/84/13/35/805841335.db2.gz WRRCVESRANYHGW-VHSXEESVSA-N -1 0 302.327 -0.072 20 0 DBADRM COC(=O)[C@]12CN(C(=O)NC[C@@H](C)C(=O)[O-])C[C@H]1COCC2 ZINC000848586971 805841411 /nfs/dbraw/zinc/84/14/11/805841411.db2.gz FLAYMFIAXBMROA-ISTVAULSSA-N -1 0 314.338 -0.072 20 0 DBADRM CCOC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000848612223 805842870 /nfs/dbraw/zinc/84/28/70/805842870.db2.gz YDDAESPSKWIDSE-DTWKUNHWSA-N -1 0 315.326 -0.830 20 0 DBADRM COC(=O)N1CC(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000848612075 805842976 /nfs/dbraw/zinc/84/29/76/805842976.db2.gz VIIBHEKHYUORHE-SECBINFHSA-N -1 0 315.326 -0.974 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCc1ccnn1C)C(=O)[O-] ZINC000848612238 805843586 /nfs/dbraw/zinc/84/35/86/805843586.db2.gz YGGMZSAVFIHVTN-NSHDSACASA-N -1 0 310.354 -0.448 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848613512 805843846 /nfs/dbraw/zinc/84/38/46/805843846.db2.gz JTQNTFNAYQPNOJ-SECBINFHSA-N -1 0 313.310 -0.981 20 0 DBADRM COC(=O)C1(C(=O)COC(=O)c2cc(=O)[n-]c(OC)n2)CC1 ZINC000848743086 805847582 /nfs/dbraw/zinc/84/75/82/805847582.db2.gz NGNLUPDSLXKTPP-UHFFFAOYSA-N -1 0 310.262 -0.130 20 0 DBADRM CC/C(C)=C/C(=O)N1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001299071594 805856399 /nfs/dbraw/zinc/85/63/99/805856399.db2.gz QLOGWHFEBBJYRN-ZKXNXJMVSA-N -1 0 323.353 -0.237 20 0 DBADRM CC/C(C)=C\C(=O)N1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001299071591 805856585 /nfs/dbraw/zinc/85/65/85/805856585.db2.gz QLOGWHFEBBJYRN-MBACFSSFSA-N -1 0 323.353 -0.237 20 0 DBADRM CCC1CCN(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1 ZINC000849218217 805860281 /nfs/dbraw/zinc/86/02/81/805860281.db2.gz QHAPVJHWFUJZHW-GHMZBOCLSA-N -1 0 306.384 -0.127 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)C[C@H]1CCCOC1)C2 ZINC000849232460 805860916 /nfs/dbraw/zinc/86/09/16/805860916.db2.gz NFPAVYAXVIGDDO-DMDPSCGWSA-N -1 0 319.379 -0.224 20 0 DBADRM O=C([O-])CN(C(=O)NC[C@@H]1COCCO1)C1CCOCC1 ZINC000849236458 805861151 /nfs/dbraw/zinc/86/11/51/805861151.db2.gz HNGGNDRCXZYZAF-LLVKDONJSA-N -1 0 302.327 -0.323 20 0 DBADRM CC(C)=CC(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001299113876 805861233 /nfs/dbraw/zinc/86/12/33/805861233.db2.gz JQVORGNUZBDFML-UHFFFAOYSA-N -1 0 309.326 -0.580 20 0 DBADRM O=C1NCC[C@@H]1CCN1[N-]S(=O)(=O)c2ccccc2C1=O ZINC000849869228 805881538 /nfs/dbraw/zinc/88/15/38/805881538.db2.gz CXALNJINZCVOJA-SECBINFHSA-N -1 0 309.347 -0.138 20 0 DBADRM CC(C)=CC(=O)N[C@]1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001299502745 805888436 /nfs/dbraw/zinc/88/84/36/805888436.db2.gz NLMGAFCDCQQHNB-CQSZACIVSA-N -1 0 323.353 -0.237 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)c1Cl ZINC000850798653 805903774 /nfs/dbraw/zinc/90/37/74/805903774.db2.gz WLPNAZYVYHAHMZ-ZMONIFLSSA-N -1 0 305.743 -0.229 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H](OC)[C@@H]1CCOC1 ZINC000850840870 805904494 /nfs/dbraw/zinc/90/44/94/805904494.db2.gz DWABJVRUEUNNOM-MWLCHTKSSA-N -1 0 323.367 -0.563 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000850842605 805904500 /nfs/dbraw/zinc/90/45/00/805904500.db2.gz MNKYXDTXESGJQT-ZETCQYMHSA-N -1 0 305.360 -0.477 20 0 DBADRM COC(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)CC1 ZINC000850843763 805904530 /nfs/dbraw/zinc/90/45/30/805904530.db2.gz OKXGFRIXARILHG-SNVBAGLBSA-N -1 0 320.367 -0.300 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)[N-]S(=O)(=O)CC2CC2)n1 ZINC000850839965 805904816 /nfs/dbraw/zinc/90/48/16/805904816.db2.gz CYTAITJEVXHFJD-UHFFFAOYSA-N -1 0 301.372 -0.173 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)[N-]S(=O)(=O)c1ccccn1 ZINC000850847582 805905297 /nfs/dbraw/zinc/90/52/97/805905297.db2.gz FUSFMBOBROTWLB-UHFFFAOYSA-N -1 0 324.362 -0.214 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ccccn1)[C@@H]1CCOC1 ZINC000850847586 805905462 /nfs/dbraw/zinc/90/54/62/805905462.db2.gz GAPBHRMWOULXTG-KOLCDFICSA-N -1 0 300.336 -0.062 20 0 DBADRM Cn1ncc(Cl)c1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000850862194 805905859 /nfs/dbraw/zinc/90/58/59/805905859.db2.gz KWSNKUGSXDZPMD-UHFFFAOYSA-N -1 0 308.747 -0.620 20 0 DBADRM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)[C@@H]1CCCNC1=O ZINC001301648263 805906600 /nfs/dbraw/zinc/90/66/00/805906600.db2.gz AHJZUVKJHKZADA-MNOVXSKESA-N -1 0 300.322 -0.069 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000850887150 805906619 /nfs/dbraw/zinc/90/66/19/805906619.db2.gz RXCDZXBTBSKECE-UHFFFAOYSA-N -1 0 318.403 -0.327 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ncccc1F ZINC000850897622 805907066 /nfs/dbraw/zinc/90/70/66/805907066.db2.gz VALRXDKEKZGWEI-UHFFFAOYSA-N -1 0 306.315 -0.057 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(C2CC2)cn1 ZINC000850942286 805907833 /nfs/dbraw/zinc/90/78/33/805907833.db2.gz FDUSAKAPGVWTBD-QMMMGPOBSA-N -1 0 315.351 -0.232 20 0 DBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000850925752 805908445 /nfs/dbraw/zinc/90/84/45/805908445.db2.gz HUYIJVYXBZTFBN-LLVKDONJSA-N -1 0 317.319 -0.118 20 0 DBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)n1 ZINC000850938239 805908495 /nfs/dbraw/zinc/90/84/95/805908495.db2.gz XKTCBLABFOVJDD-MRVPVSSYSA-N -1 0 317.371 -0.333 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000850923190 805908556 /nfs/dbraw/zinc/90/85/56/805908556.db2.gz PDUIUYLKBWAIBR-UHFFFAOYSA-N -1 0 319.343 -0.949 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](OC)[C@H]1CCOC1 ZINC000850943020 805909750 /nfs/dbraw/zinc/90/97/50/805909750.db2.gz NYYRUUFKSAWEDF-XHNCKOQMSA-N -1 0 309.340 -0.955 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000850972291 805909019 /nfs/dbraw/zinc/90/90/19/805909019.db2.gz RIQMJAZOGHQOIT-RDDDGLTNSA-N -1 0 300.340 -0.565 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000850952599 805909479 /nfs/dbraw/zinc/90/94/79/805909479.db2.gz SCAZBLUWALBBPA-UHFFFAOYSA-N -1 0 313.343 -0.720 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnn(CC2CC2)c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850972001 805909488 /nfs/dbraw/zinc/90/94/88/805909488.db2.gz IDLCYNMMUVSEFF-GDNZZTSVSA-N -1 0 311.363 -0.010 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000851021586 805910245 /nfs/dbraw/zinc/91/02/45/805910245.db2.gz KISZYFOCZDMABN-PRHODGIISA-N -1 0 305.352 -0.189 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1c(C2CC2)cnn1C ZINC000851021531 805910948 /nfs/dbraw/zinc/91/09/48/805910948.db2.gz ISPOXIBNRNCGBT-UHFFFAOYSA-N -1 0 315.351 -0.080 20 0 DBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000851034813 805912041 /nfs/dbraw/zinc/91/20/41/805912041.db2.gz WGFRKAHDRFWQSH-MRVPVSSYSA-N -1 0 311.356 -0.707 20 0 DBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000851034814 805912304 /nfs/dbraw/zinc/91/23/04/805912304.db2.gz WGFRKAHDRFWQSH-QMMMGPOBSA-N -1 0 311.356 -0.707 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@H](C)N1C(=O)CCC1=O ZINC001303199798 805913237 /nfs/dbraw/zinc/91/32/37/805913237.db2.gz QJYDFUZHYPSOHX-VIFPVBQESA-N -1 0 308.342 -0.278 20 0 DBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cc(C(=O)OC)co1 ZINC000851108952 805913464 /nfs/dbraw/zinc/91/34/64/805913464.db2.gz STHFUHARNATMNL-QMMMGPOBSA-N -1 0 321.307 -0.468 20 0 DBADRM CN1CC(=O)N(CCCC(=O)NC2(c3nnn[n-]3)CCC2)C1=O ZINC001303220966 805913752 /nfs/dbraw/zinc/91/37/52/805913752.db2.gz DEINKERPTCAPMS-UHFFFAOYSA-N -1 0 321.341 -0.631 20 0 DBADRM NC(=O)c1ccc(OCC(=O)[N-]S(=O)(=O)CC(F)F)cc1 ZINC000851359859 805915111 /nfs/dbraw/zinc/91/51/11/805915111.db2.gz DATHDYWOVPACNE-UHFFFAOYSA-N -1 0 322.289 -0.125 20 0 DBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)CC(F)F)cn1 ZINC000851362105 805915462 /nfs/dbraw/zinc/91/54/62/805915462.db2.gz XYSWYAQVCACPHZ-UHFFFAOYSA-N -1 0 309.250 -0.412 20 0 DBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CC(F)F)C(C)C ZINC000851360754 805915772 /nfs/dbraw/zinc/91/57/72/805915772.db2.gz IEFPOYQCBGWGDN-VIFPVBQESA-N -1 0 316.326 -0.515 20 0 DBADRM COc1cc(CS(=O)(=O)[N-]C(=O)c2cn(C)nn2)sn1 ZINC000851437425 805916589 /nfs/dbraw/zinc/91/65/89/805916589.db2.gz IVJYSCXHAAHAQZ-UHFFFAOYSA-N -1 0 317.352 -0.460 20 0 DBADRM COc1cc(CS(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)sn1 ZINC000851438031 805917042 /nfs/dbraw/zinc/91/70/42/805917042.db2.gz HRMWWJYAPSXSQH-MBTKJCJQSA-N -1 0 318.376 -0.010 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H](C)c1cnn(C)c1 ZINC000851500859 805918051 /nfs/dbraw/zinc/91/80/51/805918051.db2.gz GHUPXAZLWIPYLP-VIFPVBQESA-N -1 0 319.383 -0.369 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C[C@@H]1CCCOC1 ZINC000851501633 805918452 /nfs/dbraw/zinc/91/84/52/805918452.db2.gz CRMXHVOUZQMPEB-JTQLQIEISA-N -1 0 309.384 -0.090 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cc1cccnc1 ZINC000851501259 805918878 /nfs/dbraw/zinc/91/88/78/805918878.db2.gz OLGXHPVLIYFOKF-UHFFFAOYSA-N -1 0 302.352 -0.269 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1c(C)cnn1C ZINC000851503298 805918901 /nfs/dbraw/zinc/91/89/01/805918901.db2.gz DRLWDYNHRKELDF-UHFFFAOYSA-N -1 0 305.356 -0.550 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cccc(OC)n1 ZINC000851501277 805918925 /nfs/dbraw/zinc/91/89/25/805918925.db2.gz OXRZGWCHWYSICG-UHFFFAOYSA-N -1 0 318.351 -0.189 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)OC ZINC000851501432 805918933 /nfs/dbraw/zinc/91/89/33/805918933.db2.gz UZTXPZDTSWDSSQ-MRVPVSSYSA-N -1 0 311.356 -0.707 20 0 DBADRM COC(=O)c1oc(S(=O)(=O)[N-]C(=O)CNC(C)=O)cc1C ZINC000851511228 805919633 /nfs/dbraw/zinc/91/96/33/805919633.db2.gz CTIMDSOZQLIOLO-UHFFFAOYSA-N -1 0 318.307 -0.684 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C[C@@H](C)n1ccnc1 ZINC000851503947 805919837 /nfs/dbraw/zinc/91/98/37/805919837.db2.gz PBEYWOGFYVBMSZ-SNVBAGLBSA-N -1 0 319.383 -0.058 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C[C@H](C)n1cccn1 ZINC000851504392 805919953 /nfs/dbraw/zinc/91/99/53/805919953.db2.gz WPISGCQIUBDFGE-JTQLQIEISA-N -1 0 319.383 -0.058 20 0 DBADRM COC(=O)CCCO[N-]C(=O)C1=C(C)OCCS1(=O)=O ZINC001304129996 805920378 /nfs/dbraw/zinc/92/03/78/805920378.db2.gz TWUMGBKCIDKIQY-UHFFFAOYSA-N -1 0 307.324 -0.336 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)c2nc3ncccn3n2)CCCOC1 ZINC000851606738 805921051 /nfs/dbraw/zinc/92/10/51/805921051.db2.gz WSSFIQUNWKBJJR-CYBMUJFWSA-N -1 0 305.294 -0.122 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C3(n4cnnn4)CC3)C[C@H]1COCC2 ZINC000851602915 805921123 /nfs/dbraw/zinc/92/11/23/805921123.db2.gz DBQZHYSHMNELNZ-JOYOIKCWSA-N -1 0 307.310 -0.888 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cn1nc(-c2ccccc2)oc1=O ZINC001304258286 805921177 /nfs/dbraw/zinc/92/11/77/805921177.db2.gz GAPKHBGFALWRFR-UHFFFAOYSA-N -1 0 306.278 -0.703 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000851651358 805921639 /nfs/dbraw/zinc/92/16/39/805921639.db2.gz LGKSFFYZVRWWJJ-LNLATYFQSA-N -1 0 320.367 -0.695 20 0 DBADRM O=C([O-])[C@]1(F)CN(C(=O)[C@H]2CCS(=O)(=O)N2)CC12CCC2 ZINC000851614676 805921741 /nfs/dbraw/zinc/92/17/41/805921741.db2.gz RDNRPQONPDGJPY-PRHODGIISA-N -1 0 320.342 -0.517 20 0 DBADRM CCn1nc(C)c(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000851650467 805921834 /nfs/dbraw/zinc/92/18/34/805921834.db2.gz BUUWTNWNZQTMNY-QMTHXVAHSA-N -1 0 323.353 -0.151 20 0 DBADRM Cn1ncc(CCCNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000851651981 805921861 /nfs/dbraw/zinc/92/18/61/805921861.db2.gz QALKJRGZVYHURP-QMTHXVAHSA-N -1 0 323.353 -0.510 20 0 DBADRM Cn1nccc1CCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000851652332 805922192 /nfs/dbraw/zinc/92/21/92/805922192.db2.gz UJMTXDIXSZZPNH-QMTHXVAHSA-N -1 0 308.338 -0.295 20 0 DBADRM Cn1nc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])c2ccccc2c1=O ZINC000851616980 805922267 /nfs/dbraw/zinc/92/22/67/805922267.db2.gz ZPAVJHIJIQCNRF-PWSUYJOCSA-N -1 0 317.301 -0.095 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NOC[C@@H]1CCOC1)C2 ZINC000851652675 805922321 /nfs/dbraw/zinc/92/23/21/805922321.db2.gz WSKWBBODMQEHEN-GIPNMCIBSA-N -1 0 300.311 -0.303 20 0 DBADRM COC(=O)/C=C/[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001305797291 805924308 /nfs/dbraw/zinc/92/43/08/805924308.db2.gz IFONGWYJQAOWKG-RTMURIBGSA-N -1 0 305.294 -0.695 20 0 DBADRM CC(C)OCCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000851680008 805924412 /nfs/dbraw/zinc/92/44/12/805924412.db2.gz FCJOCSHKJWSISL-QMTHXVAHSA-N -1 0 314.338 -0.913 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC000851683857 805925387 /nfs/dbraw/zinc/92/53/87/805925387.db2.gz QFBVQPMZPBSUIS-UHFFFAOYSA-N -1 0 323.353 -0.406 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000851683142 805925799 /nfs/dbraw/zinc/92/57/99/805925799.db2.gz YZFLXLHCDPBBEG-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC001310057641 805942952 /nfs/dbraw/zinc/94/29/52/805942952.db2.gz OUSRSQCVXSXXMB-UHFFFAOYSA-N -1 0 305.298 -0.230 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001313105405 805958669 /nfs/dbraw/zinc/95/86/69/805958669.db2.gz ICERMYVVZJEEJC-SECBINFHSA-N -1 0 316.358 -0.027 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H](C)C(=O)NCCc1ccccc1 ZINC001313360912 805960949 /nfs/dbraw/zinc/96/09/49/805960949.db2.gz HDHOIDOUCVHCJD-NSHDSACASA-N -1 0 322.365 -0.289 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H](COC)C1CCOCC1 ZINC000852398888 805963062 /nfs/dbraw/zinc/96/30/62/805963062.db2.gz BAKSJLJTWFYDFF-LLVKDONJSA-N -1 0 303.359 -0.205 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC[S@@](=O)CC(F)(F)F ZINC000852399401 805963330 /nfs/dbraw/zinc/96/33/30/805963330.db2.gz HGWRULQRLNRUJN-HXUWFJFHSA-N -1 0 319.305 -0.336 20 0 DBADRM COC(=O)N(C)CCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000852914809 805989810 /nfs/dbraw/zinc/98/98/10/805989810.db2.gz HUEIMHJXGDLICP-VIFPVBQESA-N -1 0 315.326 -0.924 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C1 ZINC000852942187 805994016 /nfs/dbraw/zinc/99/40/16/805994016.db2.gz FLJKNXWZWPBGLU-BXKDBHETSA-N -1 0 319.383 -0.775 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC000852945956 805994187 /nfs/dbraw/zinc/99/41/87/805994187.db2.gz KUCCFZFDRQYKRQ-ZJUUUORDSA-N -1 0 304.368 -0.363 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000852946446 805994294 /nfs/dbraw/zinc/99/42/94/805994294.db2.gz TVDDORGCWVPQAJ-GZMMTYOYSA-N -1 0 308.356 -0.984 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000852947526 805994303 /nfs/dbraw/zinc/99/43/03/805994303.db2.gz OFZVWSZRVWWRBK-SNVBAGLBSA-N -1 0 306.384 -0.067 20 0 DBADRM O=C([O-])COCC(=O)Nc1ccc([C@H]2CC(=O)NC(=O)N2)cc1 ZINC000852955742 805994780 /nfs/dbraw/zinc/99/47/80/805994780.db2.gz AFOAHDVTCYQZSO-SNVBAGLBSA-N -1 0 321.289 -0.003 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)C[C@@H](COC)OC ZINC000853203763 806001130 /nfs/dbraw/zinc/00/11/30/806001130.db2.gz JILAQMJDURUHHO-SECBINFHSA-N -1 0 310.372 -0.990 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000853069278 805996212 /nfs/dbraw/zinc/99/62/12/805996212.db2.gz NGHUZMBYMHAYNX-NSHDSACASA-N -1 0 322.383 -0.411 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CC=C(C(=O)[O-])C2)cc1C(N)=O ZINC000853069983 805997868 /nfs/dbraw/zinc/99/78/68/805997868.db2.gz ULPRXXHSDOIZHJ-QMMMGPOBSA-N -1 0 313.335 -0.424 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CCCn1cccn1)OC ZINC000853203222 806000819 /nfs/dbraw/zinc/00/08/19/806000819.db2.gz FFCDCMGKQHVMMC-NSHDSACASA-N -1 0 319.383 -0.229 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CCOCC1CC1)OC ZINC000853204537 806000919 /nfs/dbraw/zinc/00/09/19/806000919.db2.gz ZLRYXVQKMCACFA-NSHDSACASA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CCN1CCCC1=O)OC ZINC000853203275 806000961 /nfs/dbraw/zinc/00/09/61/806000961.db2.gz FJRVFUTYFVSCCI-JTQLQIEISA-N -1 0 322.383 -0.894 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cncc(OC)n1)OC ZINC000853207692 806001918 /nfs/dbraw/zinc/00/19/18/806001918.db2.gz HPBQNLRRMKSKFX-MRVPVSSYSA-N -1 0 319.339 -0.794 20 0 DBADRM CCn1nccc1C(=O)[N-]S(=O)(=O)C[C@H](COC)OC ZINC000853206527 806002161 /nfs/dbraw/zinc/00/21/61/806002161.db2.gz RKGWKXKRTPRCOF-VIFPVBQESA-N -1 0 305.356 -0.376 20 0 DBADRM CCOC1CC(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)C1 ZINC000853208051 806002168 /nfs/dbraw/zinc/00/21/68/806002168.db2.gz QFDVRHJWJZNKPY-ILDUYXDCSA-N -1 0 309.384 -0.091 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C[C@H]1CCCOC1)OC ZINC000853207744 806002307 /nfs/dbraw/zinc/00/23/07/806002307.db2.gz IVFCXZJDPXIWQY-MNOVXSKESA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cc(OC)ccn1)OC ZINC000853209776 806002764 /nfs/dbraw/zinc/00/27/64/806002764.db2.gz RFNWZCUOPXQIEW-SNVBAGLBSA-N -1 0 318.351 -0.189 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CC1OCCCO1)OC ZINC000853208540 806002812 /nfs/dbraw/zinc/00/28/12/806002812.db2.gz VCWKREGGHODUJO-SECBINFHSA-N -1 0 311.356 -0.753 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C[C@@H](C)n1ccnc1)OC ZINC000853208943 806003252 /nfs/dbraw/zinc/00/32/52/806003252.db2.gz JLYVMEORFGXVPA-GHMZBOCLSA-N -1 0 319.383 -0.058 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CCOC[C@H]1C)OC ZINC000853209236 806003471 /nfs/dbraw/zinc/00/34/71/806003471.db2.gz ZRYYXHNNLGTZKG-GMTAPVOTSA-N -1 0 309.384 -0.234 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)Cc1cn(C)nc1C)OC ZINC000853210310 806004423 /nfs/dbraw/zinc/00/44/23/806004423.db2.gz UKFJRWQFYGQDLT-NSHDSACASA-N -1 0 319.383 -0.622 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](OC)C1)OC ZINC000853211255 806004521 /nfs/dbraw/zinc/00/45/21/806004521.db2.gz RCMBMKIOURJTKO-GMTAPVOTSA-N -1 0 309.384 -0.091 20 0 DBADRM CN(CCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001316851543 806009223 /nfs/dbraw/zinc/00/92/23/806009223.db2.gz ZAMHTYMDMOUGPY-ZJUUUORDSA-N -1 0 324.385 -0.650 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC(C)(C)[C@@]1(O)CCCOC1 ZINC000854215159 806029032 /nfs/dbraw/zinc/02/90/32/806029032.db2.gz CNTKQIOQJAGCMH-CQSZACIVSA-N -1 0 317.386 -0.079 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000854233588 806030914 /nfs/dbraw/zinc/03/09/14/806030914.db2.gz FRFCXGZUPDVIHE-IUCAKERBSA-N -1 0 312.326 -0.583 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCO[C@H]1CCCCO1 ZINC000854551345 806043130 /nfs/dbraw/zinc/04/31/30/806043130.db2.gz HXDXEGCKELLNCN-LBPRGKRZSA-N -1 0 321.337 -0.269 20 0 DBADRM COc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1OCCO ZINC000854611462 806045552 /nfs/dbraw/zinc/04/55/52/806045552.db2.gz WYJCANKNFKGCTR-UHFFFAOYSA-N -1 0 310.266 -0.547 20 0 DBADRM CC1=C(C(=O)Nn2c(=O)[n-][nH]c2=O)[C@H](C)n2ncnc2N1C ZINC000854610886 806045567 /nfs/dbraw/zinc/04/55/67/806045567.db2.gz MKSMQQXGUBJZAK-LURJTMIESA-N -1 0 306.286 -0.664 20 0 DBADRM C[C@H](CNC(=O)OC(C)(C)C)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854611323 806045969 /nfs/dbraw/zinc/04/59/69/806045969.db2.gz UEUYAVHREQUOGL-ZCFIWIBFSA-N -1 0 301.303 -0.080 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)Nn2c(=O)[n-][nH]c2=O)C1 ZINC000854611150 806046151 /nfs/dbraw/zinc/04/61/51/806046151.db2.gz QKICXJUXBLBSGL-LURJTMIESA-N -1 0 313.270 -0.754 20 0 DBADRM CSCc1noc(CCC(=O)Nn2c(=O)[n-][nH]c2=O)n1 ZINC000854614099 806046774 /nfs/dbraw/zinc/04/67/74/806046774.db2.gz XYFWUKTYXXAVOJ-UHFFFAOYSA-N -1 0 300.300 -0.362 20 0 DBADRM CCn1ncn([N-]C(=O)c2cc(Br)n(C)n2)c1=O ZINC000854626198 806046806 /nfs/dbraw/zinc/04/68/06/806046806.db2.gz LKTIAWFRLPRKRE-UHFFFAOYSA-N -1 0 315.131 -0.055 20 0 DBADRM CC(C)(CO)O[N-]C(=O)CNS(=O)(=O)c1ccccc1N ZINC000854754981 806055962 /nfs/dbraw/zinc/05/59/62/806055962.db2.gz SOPYXYLEXPRNJE-UHFFFAOYSA-N -1 0 317.367 -0.634 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H](C)NS(=O)(=O)CC ZINC000855132922 806070681 /nfs/dbraw/zinc/07/06/81/806070681.db2.gz KFXHDUVXTKPUJJ-QMMMGPOBSA-N -1 0 310.372 -0.296 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H](C)NS(=O)(=O)CC ZINC000855132921 806070758 /nfs/dbraw/zinc/07/07/58/806070758.db2.gz KFXHDUVXTKPUJJ-MRVPVSSYSA-N -1 0 310.372 -0.296 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000855133689 806070838 /nfs/dbraw/zinc/07/08/38/806070838.db2.gz NQHDPLJPUAXZMP-UHFFFAOYSA-N -1 0 315.326 -0.294 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)C1=NN(CCO)C(=O)CC1 ZINC000855133692 806070985 /nfs/dbraw/zinc/07/09/85/806070985.db2.gz NRYRXBBBBAGMAY-UHFFFAOYSA-N -1 0 315.326 -0.653 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCC[C@@](O)(C2CC2)C1 ZINC000855694587 806086049 /nfs/dbraw/zinc/08/60/49/806086049.db2.gz PZCBNVBKNNNYBB-HNNXBMFYSA-N -1 0 317.349 -0.165 20 0 DBADRM O=C([N-]OCCN1CCCC1=O)[C@@]12CCC(=O)N1CCS2 ZINC000856037426 806093288 /nfs/dbraw/zinc/09/32/88/806093288.db2.gz JKBIWZHWWUHABR-ZDUSSCGKSA-N -1 0 313.379 -0.278 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)[N-]OCCN1CCCC1=O ZINC000856038918 806093435 /nfs/dbraw/zinc/09/34/35/806093435.db2.gz MKYHBPPCHJMFQP-SNVBAGLBSA-N -1 0 300.359 -0.116 20 0 DBADRM CS(=O)(=O)C1(C(=O)[N-]OCCN2CCCC2=O)CCC1 ZINC000856043473 806094450 /nfs/dbraw/zinc/09/44/50/806094450.db2.gz TULOKOHLBDZBDA-UHFFFAOYSA-N -1 0 304.368 -0.376 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)[N-]OCCN1CCCC1=O ZINC000856043217 806094516 /nfs/dbraw/zinc/09/45/16/806094516.db2.gz ATSGYXWOAYGPHO-UHFFFAOYSA-N -1 0 310.354 -0.443 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@]1(C)CO ZINC000856246678 806097211 /nfs/dbraw/zinc/09/72/11/806097211.db2.gz HWZIOWZTZKWIMD-YMTOWFKASA-N -1 0 305.338 -0.452 20 0 DBADRM CC(C)(C(N)=O)C(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001317141402 806098202 /nfs/dbraw/zinc/09/82/02/806098202.db2.gz UPYAGPIWHUPBPP-SECBINFHSA-N -1 0 324.385 -0.650 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC(=O)[N-]OCC2CCC2)c1 ZINC000856347764 806098271 /nfs/dbraw/zinc/09/82/71/806098271.db2.gz BIYMQRNKZUWZHF-UHFFFAOYSA-N -1 0 302.356 -0.454 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[N-]OCC1CCC1 ZINC000856347928 806098379 /nfs/dbraw/zinc/09/83/79/806098379.db2.gz IQBGBUXVHUZDMG-SECBINFHSA-N -1 0 316.383 -0.065 20 0 DBADRM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000856410350 806099316 /nfs/dbraw/zinc/09/93/16/806099316.db2.gz RXAFTWUGSMIXHC-SCZZXKLOSA-N -1 0 319.321 -0.471 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000857287044 806115601 /nfs/dbraw/zinc/11/56/01/806115601.db2.gz KTSGJZMTCUYWMH-QWRGUYRKSA-N -1 0 308.400 -0.830 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)[N-]O[C@H](CO)C(C)C ZINC000857286233 806115736 /nfs/dbraw/zinc/11/57/36/806115736.db2.gz VPEPMNUVTBHCAI-SNVBAGLBSA-N -1 0 312.388 -0.993 20 0 DBADRM CN(CCNC(=O)c1ccc2nc[nH]c2n1)Cc1n[nH]c(=O)[n-]1 ZINC001317449741 806151663 /nfs/dbraw/zinc/15/16/63/806151663.db2.gz VTGYDKMDTNHUEK-UHFFFAOYSA-N -1 0 316.325 -0.357 20 0 DBADRM CCNC(=O)CC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001317500223 806168821 /nfs/dbraw/zinc/16/88/21/806168821.db2.gz XGQAIQIOZDTPGC-SECBINFHSA-N -1 0 310.358 -0.883 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@]2(C)CCOC2=O)on1 ZINC000859165606 806176027 /nfs/dbraw/zinc/17/60/27/806176027.db2.gz UNRYABSXVCCHKK-SNVBAGLBSA-N -1 0 304.280 -0.555 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cnc(C)n2C)C1=O ZINC000859133715 806176529 /nfs/dbraw/zinc/17/65/29/806176529.db2.gz GPYOLNARCYRZBO-NSHDSACASA-N -1 0 315.355 -0.358 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C)CCOC2=O)on1 ZINC000859165604 806176558 /nfs/dbraw/zinc/17/65/58/806176558.db2.gz UNRYABSXVCCHKK-JTQLQIEISA-N -1 0 304.280 -0.555 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C(=O)OCC2(C)C)on1 ZINC000859186117 806177404 /nfs/dbraw/zinc/17/74/04/806177404.db2.gz SFNRKAGKNVGTEU-QMMMGPOBSA-N -1 0 318.307 -0.309 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@H]2CCOC2=O)cn1 ZINC000859921950 806210725 /nfs/dbraw/zinc/21/07/25/806210725.db2.gz MOXRGJQXVFKWCE-QMMMGPOBSA-N -1 0 300.292 -0.075 20 0 DBADRM Nc1nccnc1C(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O ZINC001317742929 806229215 /nfs/dbraw/zinc/22/92/15/806229215.db2.gz UMCMVLPMVMEILW-UHFFFAOYSA-N -1 0 304.310 -0.042 20 0 DBADRM NC(=O)c1ccc(CC(=O)[N-]S(=O)(=O)N2CCCC2)cn1 ZINC000860495409 806233016 /nfs/dbraw/zinc/23/30/16/806233016.db2.gz JRMXEFIPTJHALY-UHFFFAOYSA-N -1 0 312.351 -0.820 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)[C@@H]1CNC(=O)c2ccccc21 ZINC000860494998 806233197 /nfs/dbraw/zinc/23/31/97/806233197.db2.gz GEBGIOSEUIYRMC-GFCCVEGCSA-N -1 0 323.374 -0.030 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCCCC2)O1 ZINC000860494893 806233260 /nfs/dbraw/zinc/23/32/60/806233260.db2.gz DNCOAPRGBBKPKW-ZJUUUORDSA-N -1 0 320.367 -0.446 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(C(N)=O)nc1 ZINC000860548116 806234965 /nfs/dbraw/zinc/23/49/65/806234965.db2.gz XRPHHLPVGMISFB-QMMMGPOBSA-N -1 0 315.351 -0.796 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC000860538739 806235120 /nfs/dbraw/zinc/23/51/20/806235120.db2.gz PXLZFTWIDLYJSF-LLVKDONJSA-N -1 0 312.347 -0.394 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)NC(C)=O ZINC000860537986 806235200 /nfs/dbraw/zinc/23/52/00/806235200.db2.gz VGQATUORCYHRES-SECBINFHSA-N -1 0 308.356 -0.844 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860557944 806237041 /nfs/dbraw/zinc/23/70/41/806237041.db2.gz NCBZBRMGVNKFDG-KZFFXBSXSA-N -1 0 303.336 -0.437 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C(C)C ZINC000860599201 806238210 /nfs/dbraw/zinc/23/82/10/806238210.db2.gz ZAHOGZNBOYKSRB-SNVBAGLBSA-N -1 0 309.388 -0.914 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccnc2ccnn21 ZINC000860644701 806240069 /nfs/dbraw/zinc/24/00/69/806240069.db2.gz FSASNXBRJPRWOS-VIFPVBQESA-N -1 0 310.335 -0.032 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)c1ccc(F)cc1 ZINC000860648130 806240378 /nfs/dbraw/zinc/24/03/78/806240378.db2.gz KCWRWJRCMYQDAA-JTQLQIEISA-N -1 0 304.299 -0.556 20 0 DBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)CC(N)=O)COc2ccccc2O1 ZINC000860647882 806240616 /nfs/dbraw/zinc/24/06/16/806240616.db2.gz BCOGKEUQHREWIX-LBPRGKRZSA-N -1 0 314.319 -0.852 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)O1 ZINC000860643499 806240669 /nfs/dbraw/zinc/24/06/69/806240669.db2.gz YKAQGKBRSKAHCW-BBBLOLIVSA-N -1 0 321.351 -0.668 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccnn1 ZINC000860665245 806241499 /nfs/dbraw/zinc/24/14/99/806241499.db2.gz IEJRODXCWORQLF-YUMQZZPRSA-N -1 0 301.324 -0.266 20 0 DBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)s1 ZINC000860704927 806242682 /nfs/dbraw/zinc/24/26/82/806242682.db2.gz MXWZJRCPQVSISZ-RQJHMYQMSA-N -1 0 319.364 -0.711 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H]1COC(=O)N1 ZINC000860755625 806245256 /nfs/dbraw/zinc/24/52/56/806245256.db2.gz ZHDINSORYFMOKC-YUMQZZPRSA-N -1 0 322.339 -0.727 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cnn(C)c1C)C(C)C ZINC000860783112 806246519 /nfs/dbraw/zinc/24/65/19/806246519.db2.gz GVTLJQVOZDZTEL-LLVKDONJSA-N -1 0 316.383 -0.306 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2ccnc3ccnn32)CC1 ZINC000860776926 806246709 /nfs/dbraw/zinc/24/67/09/806246709.db2.gz MCUOJRSDZUEFBU-UHFFFAOYSA-N -1 0 310.335 -0.032 20 0 DBADRM COC1CC(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000860793699 806247415 /nfs/dbraw/zinc/24/74/15/806247415.db2.gz BKLUPLSOISGNAX-UHFFFAOYSA-N -1 0 315.351 -0.105 20 0 DBADRM CC(C)c1nc(S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)cn1C ZINC000860820097 806248418 /nfs/dbraw/zinc/24/84/18/806248418.db2.gz NRDPPMDYVIAZEE-ZETCQYMHSA-N -1 0 316.339 -0.543 20 0 DBADRM O=C([N-]S(=O)(=O)CCc1ccc(F)cc1)[C@@H]1COC(=O)N1 ZINC000860870126 806250336 /nfs/dbraw/zinc/25/03/36/806250336.db2.gz KURMHGKJSZUHLB-JTQLQIEISA-N -1 0 316.310 -0.077 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C(C)C ZINC000860884190 806251253 /nfs/dbraw/zinc/25/12/53/806251253.db2.gz LIZFAKPXEXGJCP-LLVKDONJSA-N -1 0 324.399 -0.746 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cnn(C2CC2)c1)OC ZINC000860892898 806251308 /nfs/dbraw/zinc/25/13/08/806251308.db2.gz ZBPXRFCOZOXLHH-LLVKDONJSA-N -1 0 317.367 -0.061 20 0 DBADRM CCO[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)C1CC1 ZINC000860892900 806251340 /nfs/dbraw/zinc/25/13/40/806251340.db2.gz ZBXDXPPBOPBZSS-GHMZBOCLSA-N -1 0 309.384 -0.091 20 0 DBADRM O=C([N-]OCCO)C1(O)CN(C(=O)OCc2ccccc2)C1 ZINC000860939189 806252345 /nfs/dbraw/zinc/25/23/45/806252345.db2.gz OXGFTKCIDQIVQU-UHFFFAOYSA-N -1 0 310.306 -0.590 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000861143505 806257420 /nfs/dbraw/zinc/25/74/20/806257420.db2.gz MQMVIEAOSRFMNG-DTWKUNHWSA-N -1 0 306.384 -0.085 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000861139032 806257453 /nfs/dbraw/zinc/25/74/53/806257453.db2.gz NNNJWGIUBPAOFP-RKDXNWHRSA-N -1 0 304.368 -0.379 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000861140052 806257626 /nfs/dbraw/zinc/25/76/26/806257626.db2.gz ODXMLKGHHTWHMB-YUMQZZPRSA-N -1 0 308.356 -0.256 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000861140696 806257646 /nfs/dbraw/zinc/25/76/46/806257646.db2.gz UGOIRHZDNREEAB-VIFPVBQESA-N -1 0 322.383 -0.895 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861165603 806259560 /nfs/dbraw/zinc/25/95/60/806259560.db2.gz NXSGXVNTXLMIPE-UHFFFAOYSA-N -1 0 324.305 -0.231 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000861462222 806269510 /nfs/dbraw/zinc/26/95/10/806269510.db2.gz XZGSSISVFIBWNJ-SECBINFHSA-N -1 0 317.342 -0.425 20 0 DBADRM COCCCO[N-]C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC000861695307 806282016 /nfs/dbraw/zinc/28/20/16/806282016.db2.gz OGROTSATEGQRJB-UHFFFAOYSA-N -1 0 317.386 -0.120 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2ccn(C)n2)CC[C@H]1C(=O)[O-] ZINC000861717829 806282951 /nfs/dbraw/zinc/28/29/51/806282951.db2.gz CCYDHNDXOSUICF-GXSJLCMTSA-N -1 0 308.338 -0.395 20 0 DBADRM COCCOCCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001318315242 806284074 /nfs/dbraw/zinc/28/40/74/806284074.db2.gz WUYNSYKIEZMOHU-UHFFFAOYSA-N -1 0 309.326 -0.760 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000861721121 806284185 /nfs/dbraw/zinc/28/41/85/806284185.db2.gz PUGUXAUNYAEJFW-KOLCDFICSA-N -1 0 323.353 -0.517 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C(=O)O1 ZINC000861721741 806284383 /nfs/dbraw/zinc/28/43/83/806284383.db2.gz BHVRHXJWHNQCKN-VXNVDRBHSA-N -1 0 313.335 -0.113 20 0 DBADRM COC(=O)C1=CC[C@@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC000861720990 806284696 /nfs/dbraw/zinc/28/46/96/806284696.db2.gz LXSCNPMOMOGEBM-WCBMZHEXSA-N -1 0 312.322 -0.457 20 0 DBADRM O=C([N-]Cc1ccc(C(=O)N2CC(O)(CO)C2)o1)C(F)(F)F ZINC000861848430 806299687 /nfs/dbraw/zinc/29/96/87/806299687.db2.gz IJYPYUWMOAMWCT-UHFFFAOYSA-N -1 0 322.239 -0.363 20 0 DBADRM O=C(N[C@@H]1COC[C@H]1O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000861916090 806303082 /nfs/dbraw/zinc/30/30/82/806303082.db2.gz LSFDHZMIOMKYAN-HTQZYQBOSA-N -1 0 322.239 -0.052 20 0 DBADRM Cn1cnnc1CCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001318473185 806303574 /nfs/dbraw/zinc/30/35/74/806303574.db2.gz GATUETTVTLSVSN-UHFFFAOYSA-N -1 0 315.293 -0.463 20 0 DBADRM CNC(=O)C1(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CCC1 ZINC001318521144 806309339 /nfs/dbraw/zinc/30/93/39/806309339.db2.gz IDFRZPRVQWRDIA-UHFFFAOYSA-N -1 0 301.328 -0.937 20 0 DBADRM O=C(c1n[n-]c2ccccc2c1=O)N(CCO)CCOCCO ZINC000862247541 806318576 /nfs/dbraw/zinc/31/85/76/806318576.db2.gz ZPUKHECMCJEIQH-UHFFFAOYSA-N -1 0 321.333 -0.221 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC001318579109 806313561 /nfs/dbraw/zinc/31/35/61/806313561.db2.gz YAQCDEVIQGDDAE-VIFPVBQESA-N -1 0 318.351 -0.850 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)NCc2nnn[n-]2)c(C)c1 ZINC001318679045 806320639 /nfs/dbraw/zinc/32/06/39/806320639.db2.gz UORLIYYRODMQCY-UHFFFAOYSA-N -1 0 318.293 -0.450 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[nH]c1=O ZINC001318728989 806323710 /nfs/dbraw/zinc/32/37/10/806323710.db2.gz LBUDFVIWKZXAEJ-UHFFFAOYSA-N -1 0 317.367 -0.176 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)[N-]N2CCOC2=O)c1 ZINC000862701062 806331309 /nfs/dbraw/zinc/33/13/09/806331309.db2.gz JOQULCGJCMRUQA-UHFFFAOYSA-N -1 0 305.337 -0.247 20 0 DBADRM Cc1cc(S(N)(=O)=O)sc1C(=O)[N-]N1CCOC1=O ZINC000862699266 806331339 /nfs/dbraw/zinc/33/13/39/806331339.db2.gz HXSCGODWGXKENF-UHFFFAOYSA-N -1 0 305.337 -0.199 20 0 DBADRM COC(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)c1cc(=O)[nH][n-]1 ZINC000862725158 806331951 /nfs/dbraw/zinc/33/19/51/806331951.db2.gz LXFFEIUWLWJLJX-GFCCVEGCSA-N -1 0 319.317 -0.229 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)CCc1nc(C)no1 ZINC001319240665 806356039 /nfs/dbraw/zinc/35/60/39/806356039.db2.gz MBZGVJQREYJLFV-UHFFFAOYSA-N -1 0 321.355 -0.580 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])C2CCOCC2)n1C ZINC000863406644 806355486 /nfs/dbraw/zinc/35/54/86/806355486.db2.gz IAQWRTDDOYFLOI-NSHDSACASA-N -1 0 317.367 -0.113 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@H]2CCCOC2)C1 ZINC000863430002 806356763 /nfs/dbraw/zinc/35/67/63/806356763.db2.gz NHPDTLYFNHRSPB-CMPLNLGQSA-N -1 0 307.368 -0.082 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2CCCOC2)C1 ZINC000863430004 806357111 /nfs/dbraw/zinc/35/71/11/806357111.db2.gz NHPDTLYFNHRSPB-PWSUYJOCSA-N -1 0 307.368 -0.082 20 0 DBADRM COc1ncc(CCNC(=O)CSc2n[nH]c(=O)[n-]2)cn1 ZINC000863445969 806357757 /nfs/dbraw/zinc/35/77/57/806357757.db2.gz YHNFLHYIWLEVBV-UHFFFAOYSA-N -1 0 310.339 -0.240 20 0 DBADRM COC[C@@H]1CCCN1[N-]C(=O)C(F)(F)C(=O)N1CCOCC1 ZINC000863496311 806360260 /nfs/dbraw/zinc/36/02/60/806360260.db2.gz WIASVBJPLUGZIF-JTQLQIEISA-N -1 0 321.324 -0.378 20 0 DBADRM Cn1nc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1Cl ZINC000863531207 806360792 /nfs/dbraw/zinc/36/07/92/806360792.db2.gz QIVPDDIIRALKJL-QMMMGPOBSA-N -1 0 307.759 -0.243 20 0 DBADRM Cn1ncc2cc(C(=O)Nc3n[n-]c(S(C)(=O)=O)n3)cnc21 ZINC001319326047 806368135 /nfs/dbraw/zinc/36/81/35/806368135.db2.gz HLXXPMCJKFZHTK-UHFFFAOYSA-N -1 0 321.322 -0.258 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)C1 ZINC000863747097 806371132 /nfs/dbraw/zinc/37/11/32/806371132.db2.gz MEQWMJNSMMREIH-HBNTYKKESA-N -1 0 324.333 -0.669 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCCSCC(=O)[O-] ZINC001319414254 806375644 /nfs/dbraw/zinc/37/56/44/806375644.db2.gz XEVRISPVZFGEEK-UHFFFAOYSA-N -1 0 324.362 -0.192 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000864118098 806390302 /nfs/dbraw/zinc/39/03/02/806390302.db2.gz FXPXRZBTMKOZCB-RNJXMRFFSA-N -1 0 313.228 -0.355 20 0 DBADRM O=C([O-])[C@@H]1c2ccoc2CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000864171267 806390899 /nfs/dbraw/zinc/39/08/99/806390899.db2.gz ZYQXCGSKIPOETE-LBPRGKRZSA-N -1 0 319.273 -0.248 20 0 DBADRM CO[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@@](C)(C(=O)[O-])C1 ZINC000864181645 806390983 /nfs/dbraw/zinc/39/09/83/806390983.db2.gz RXBOKVCLUCMSBA-ISVAXAHUSA-N -1 0 311.294 -0.961 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000864164581 806391013 /nfs/dbraw/zinc/39/10/13/806391013.db2.gz PBSIXQJQTYMFDU-JTQLQIEISA-N -1 0 304.368 -0.052 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)CN3CCCCC3=O)C[C@H]1COCC2 ZINC000864136740 806391207 /nfs/dbraw/zinc/39/12/07/806391207.db2.gz AQTQAOPYVSHLJU-XHDPSFHLSA-N -1 0 310.350 -0.051 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC000864161943 806391281 /nfs/dbraw/zinc/39/12/81/806391281.db2.gz FYICWTVGHWFTBZ-JTQLQIEISA-N -1 0 302.290 -0.214 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000864167113 806391633 /nfs/dbraw/zinc/39/16/33/806391633.db2.gz BZXYWXYSGQQOCI-LLVKDONJSA-N -1 0 321.337 -0.142 20 0 DBADRM CN1C(=O)C[C@H](N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)C1=O ZINC000864350588 806393494 /nfs/dbraw/zinc/39/34/94/806393494.db2.gz GRXDMLGIEUUEDI-WRWORJQWSA-N -1 0 307.272 -0.113 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1cnn(C)c1Br ZINC000864494403 806395606 /nfs/dbraw/zinc/39/56/06/806395606.db2.gz FXTBMHCKQJSXIJ-UHFFFAOYSA-N -1 0 312.145 -0.112 20 0 DBADRM O=C([N-]CCn1cc(CN2CCOC2=O)nn1)C(F)(F)F ZINC000864624422 806397641 /nfs/dbraw/zinc/39/76/41/806397641.db2.gz GJLKDANXAGHTGP-UHFFFAOYSA-N -1 0 307.232 -0.091 20 0 DBADRM O=C(CCCNC(=O)C1CC1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC001319675883 806402380 /nfs/dbraw/zinc/40/23/80/806402380.db2.gz QQPAXCPHYOUOAV-SNVBAGLBSA-N -1 0 318.395 -0.225 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)[N-]OC2CCCC2)n1 ZINC001319796578 806410671 /nfs/dbraw/zinc/41/06/71/806410671.db2.gz GNFUMURRENKDPP-UHFFFAOYSA-N -1 0 323.353 -0.100 20 0 DBADRM Cc1sc2ncc(C(=O)NCc3nc(=O)o[n-]3)c(=O)n2c1C ZINC001319839756 806412429 /nfs/dbraw/zinc/41/24/29/806412429.db2.gz PNYDRMGDPPYMIB-UHFFFAOYSA-N -1 0 321.318 -0.021 20 0 DBADRM NC(=O)CO[N-]C(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC001319876410 806414530 /nfs/dbraw/zinc/41/45/30/806414530.db2.gz DJJRPGFPMPHCOZ-UHFFFAOYSA-N -1 0 302.290 -0.557 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)C(=O)[N-]OC2CCCC2)cc1C ZINC001319920291 806418840 /nfs/dbraw/zinc/41/88/40/806418840.db2.gz ZKMDALLZHXSJEY-UHFFFAOYSA-N -1 0 323.353 -0.134 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CC(=O)N(C(C)C)C1 ZINC000866701220 806450067 /nfs/dbraw/zinc/45/00/67/806450067.db2.gz OANBZTAQZDTBGH-LZVRBXCZSA-N -1 0 311.429 -0.052 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(C(C)C)C1=O ZINC000866792123 806460295 /nfs/dbraw/zinc/46/02/95/806460295.db2.gz UHJNRLYTRXFBEV-DYBLOJMWSA-N -1 0 311.429 -0.052 20 0 DBADRM C[S@@](=O)CCN1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000866942054 806465501 /nfs/dbraw/zinc/46/55/01/806465501.db2.gz OBUXSWTXYCOEQN-GOSISDBHSA-N -1 0 306.413 -0.906 20 0 DBADRM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)[C@H]1OC ZINC000867106291 806472108 /nfs/dbraw/zinc/47/21/08/806472108.db2.gz ABEZDMPZJKQBSC-DJLDLDEBSA-N -1 0 300.402 -0.259 20 0 DBADRM CO[C@@]1(C[N-]S(=O)(=O)N=S2(=O)CCCC2)CCOC1 ZINC000867109488 806472814 /nfs/dbraw/zinc/47/28/14/806472814.db2.gz MRBNIXODLHWSRJ-SNVBAGLBSA-N -1 0 312.413 -0.112 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@H]1C[C@H]2CCCCN2C1=O ZINC000867378303 806492577 /nfs/dbraw/zinc/49/25/77/806492577.db2.gz UCYHXKRXZAFINS-BDAKNGLRSA-N -1 0 309.413 -0.298 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)C1CCOCC1 ZINC000867497407 806502784 /nfs/dbraw/zinc/50/27/84/806502784.db2.gz BJEAQGSIYXCVRX-JTQLQIEISA-N -1 0 314.429 -0.010 20 0 DBADRM O=C1CCCN1[N-]S(=O)(=O)c1nc[nH]c1Br ZINC000867593546 806510319 /nfs/dbraw/zinc/51/03/19/806510319.db2.gz UPDRTFNHUIEPTN-UHFFFAOYSA-N -1 0 309.145 -0.012 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC001320618635 806510589 /nfs/dbraw/zinc/51/05/89/806510589.db2.gz KZVKZJXTBVDOAK-UHFFFAOYSA-N -1 0 303.278 -0.656 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1cc(CCOC)nn1C ZINC001320690375 806517522 /nfs/dbraw/zinc/51/75/22/806517522.db2.gz FKDAIOYTTLVGJO-UHFFFAOYSA-N -1 0 314.342 -0.368 20 0 DBADRM CCN(CC[NH2+]Cc1n[nH]c(=O)[n-]1)C(=O)c1cn2c(n1)CCC2 ZINC001320736818 806522906 /nfs/dbraw/zinc/52/29/06/806522906.db2.gz HZOCEFPODAMXSV-UHFFFAOYSA-N -1 0 319.369 -0.095 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCCCc1c[nH]nn1 ZINC001320765911 806526425 /nfs/dbraw/zinc/52/64/25/806526425.db2.gz GJTUZNDQSTYDNL-UHFFFAOYSA-N -1 0 317.371 -0.900 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cccc2c1OCCC2=O ZINC001320779863 806528730 /nfs/dbraw/zinc/52/87/30/806528730.db2.gz ZLOKXLOVKKLKGS-UHFFFAOYSA-N -1 0 316.277 -0.580 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(S(=O)(=O)C2COC2)C1 ZINC000867889531 806531306 /nfs/dbraw/zinc/53/13/06/806531306.db2.gz ALZIXOXOAARWAN-SECBINFHSA-N -1 0 316.301 -0.142 20 0 DBADRM COCCOCCN(C)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000868348141 806544398 /nfs/dbraw/zinc/54/43/98/806544398.db2.gz MAQZUESKSCCACA-LLVKDONJSA-N -1 0 316.354 -0.569 20 0 DBADRM CN(CC(=O)[N-]OC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC001320908448 806540868 /nfs/dbraw/zinc/54/08/68/806540868.db2.gz SFRDXXLEMAXQMW-MNOVXSKESA-N -1 0 306.384 -0.810 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC001320921805 806542173 /nfs/dbraw/zinc/54/21/73/806542173.db2.gz DEQVJTARHGMTCC-UHFFFAOYSA-N -1 0 315.351 -0.258 20 0 DBADRM CCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000868334231 806543333 /nfs/dbraw/zinc/54/33/33/806543333.db2.gz JYQBPQARWMEUKK-GHMZBOCLSA-N -1 0 322.365 -0.085 20 0 DBADRM C[C@H]1[C@@H](CO)CCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000868341278 806544207 /nfs/dbraw/zinc/54/42/07/806544207.db2.gz QKZYVWFXTRLWDM-QJPTWQEYSA-N -1 0 312.366 -0.071 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](CCO)C2)C1 ZINC000868347760 806544249 /nfs/dbraw/zinc/54/42/49/806544249.db2.gz JGVJBSODBNEYJB-VXGBXAGGSA-N -1 0 312.366 -0.069 20 0 DBADRM COCCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1CCOCC1 ZINC000868351439 806544293 /nfs/dbraw/zinc/54/42/93/806544293.db2.gz VGUWXCCBKHYJKI-UHFFFAOYSA-N -1 0 316.354 -0.427 20 0 DBADRM COCc1ccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001320996454 806553163 /nfs/dbraw/zinc/55/31/63/806553163.db2.gz TVXPDTLWVAPWMG-UHFFFAOYSA-N -1 0 305.294 -0.088 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC001321130750 806575776 /nfs/dbraw/zinc/57/57/76/806575776.db2.gz MVISUZCGYMMZNV-UHFFFAOYSA-N -1 0 321.333 -0.053 20 0 DBADRM CC(=O)OC[C@H](CO)NC(=O)CSc1n[n-]c(=S)s1 ZINC001321216147 806588951 /nfs/dbraw/zinc/58/89/51/806588951.db2.gz OVEMFXSAFHLMNE-LURJTMIESA-N -1 0 323.421 -0.041 20 0 DBADRM Cn1[n-]c(C(=O)N2CCO[C@@H](CN3CCOCC3)C2)cc1=O ZINC000870057632 806592103 /nfs/dbraw/zinc/59/21/03/806592103.db2.gz HITOEDYFSDNCJJ-NSHDSACASA-N -1 0 310.354 -0.701 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cn1 ZINC000870204748 806597031 /nfs/dbraw/zinc/59/70/31/806597031.db2.gz ZLCOTOBSZAPWBJ-SNVBAGLBSA-N -1 0 303.340 -0.622 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cnn(CCOC)c1C ZINC000870214279 806597177 /nfs/dbraw/zinc/59/71/77/806597177.db2.gz KVEKHKKMLOXYRX-UHFFFAOYSA-N -1 0 304.372 -0.236 20 0 DBADRM COCCn1ncc(C(=O)[N-]S(=O)(=O)[C@@H](C)COC)c1C ZINC000870205972 806597268 /nfs/dbraw/zinc/59/72/68/806597268.db2.gz YKOCNJHQHPZFCY-VIFPVBQESA-N -1 0 319.383 -0.068 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ncc2n1CCCC2 ZINC000870214273 806597311 /nfs/dbraw/zinc/59/73/11/806597311.db2.gz KLRSHNBJFRQGRP-UHFFFAOYSA-N -1 0 314.367 -0.474 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ncc2ccccn21 ZINC000870214910 806597553 /nfs/dbraw/zinc/59/75/53/806597553.db2.gz VIYRYQWBJIZDPY-UHFFFAOYSA-N -1 0 310.335 -0.359 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cn2c(n1)C[C@H](OC)CC2 ZINC000870200816 806597617 /nfs/dbraw/zinc/59/76/17/806597617.db2.gz ZPSHBQUBFUWMHQ-SECBINFHSA-N -1 0 317.367 -0.450 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC001321277113 806598164 /nfs/dbraw/zinc/59/81/64/806598164.db2.gz LVERMCNOTVEGGK-UHFFFAOYSA-N -1 0 306.200 -0.428 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ncc2n1CCCC2 ZINC000870236278 806598833 /nfs/dbraw/zinc/59/88/33/806598833.db2.gz CKCKGQHICZQHLU-UHFFFAOYSA-N -1 0 316.383 -0.228 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cnn(CCOC)c1 ZINC000870238384 806598838 /nfs/dbraw/zinc/59/88/38/806598838.db2.gz HZQRFDFVQPNAAJ-UHFFFAOYSA-N -1 0 304.372 -0.154 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@]12CCC[C@H]1OCC2 ZINC000870356100 806599916 /nfs/dbraw/zinc/59/99/16/806599916.db2.gz GJTWPMXMKPJQFP-SKDRFNHKSA-N -1 0 305.352 -0.045 20 0 DBADRM COC/C=C/C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000870390087 806601327 /nfs/dbraw/zinc/60/13/27/806601327.db2.gz YHRXRCLHRMARSC-DUXPYHPUSA-N -1 0 301.324 -0.327 20 0 DBADRM CN(C)Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ncn(C)n1 ZINC000870644073 806604450 /nfs/dbraw/zinc/60/44/50/806604450.db2.gz BEYVOEGDAKCTSD-UHFFFAOYSA-N -1 0 323.378 -0.005 20 0 DBADRM CCC(C)(C)CS(=O)(=O)[N-]C(=O)CN(C)C(=O)COC ZINC000870660274 806604743 /nfs/dbraw/zinc/60/47/43/806604743.db2.gz RDGGGDMIDHIOEP-UHFFFAOYSA-N -1 0 308.400 -0.027 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC=CCNCc1ccon1 ZINC001321352988 806610450 /nfs/dbraw/zinc/61/04/50/806610450.db2.gz MBJZIVCUDZLJKB-OWOJBTEDSA-N -1 0 308.298 -0.861 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NC[C@@H](O)[C@@H](C)O)c1 ZINC000871140684 806620678 /nfs/dbraw/zinc/62/06/78/806620678.db2.gz KZPOPLUJTYETIF-FRKIPOMISA-N -1 0 301.364 -0.339 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC001321416798 806623385 /nfs/dbraw/zinc/62/33/85/806623385.db2.gz TVJWSCZMCXJEAB-UHFFFAOYSA-N -1 0 323.349 -0.050 20 0 DBADRM CNS(=O)(=O)NC1CCN(c2cc(C(=O)[O-])ncn2)CC1 ZINC000871594981 806640439 /nfs/dbraw/zinc/64/04/39/806640439.db2.gz ZBTRGLKRPKDKCI-UHFFFAOYSA-N -1 0 315.355 -0.803 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1c1cc(C(=O)[O-])ncn1 ZINC000871594282 806640459 /nfs/dbraw/zinc/64/04/59/806640459.db2.gz HHWVAAWNQBLNEB-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM COCCS(=O)(=O)N1CC[C@H]([C@@H]2CCCO2)[C@H]1C(=O)[O-] ZINC000871740407 806641632 /nfs/dbraw/zinc/64/16/32/806641632.db2.gz NIHKARPZVBXXDB-VWYCJHECSA-N -1 0 307.368 -0.083 20 0 DBADRM COCCOCCS(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-] ZINC000871776432 806642353 /nfs/dbraw/zinc/64/23/53/806642353.db2.gz KINASYGCSZRUSG-VWYCJHECSA-N -1 0 307.368 -0.368 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000871773006 806642719 /nfs/dbraw/zinc/64/27/19/806642719.db2.gz YMRSYVOASJOSDG-JQWIXIFHSA-N -1 0 307.368 -0.082 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1ccc(-n2ccnc2)nc1 ZINC001321632304 806649661 /nfs/dbraw/zinc/64/96/61/806649661.db2.gz KCHAHPDTBARXJR-UHFFFAOYSA-N -1 0 319.321 -0.422 20 0 DBADRM CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC001321746025 806666177 /nfs/dbraw/zinc/66/61/77/806666177.db2.gz BYEBPCCVGLVTPG-UHFFFAOYSA-N -1 0 316.383 -0.079 20 0 DBADRM CC(C)(SCC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000872943737 806679422 /nfs/dbraw/zinc/67/94/22/806679422.db2.gz LIIBFRGDIZNOCI-UHFFFAOYSA-N -1 0 324.424 -0.313 20 0 DBADRM CNC(=O)C1CCC(NC(=O)C(=O)[N-]OCCSC)CC1 ZINC001321878257 806683247 /nfs/dbraw/zinc/68/32/47/806683247.db2.gz UHVFJQSZCIMWPI-UHFFFAOYSA-N -1 0 317.411 -0.182 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000873505349 806686521 /nfs/dbraw/zinc/68/65/21/806686521.db2.gz MAPYAZMTFKJSNA-ZJUUUORDSA-N -1 0 304.368 -0.379 20 0 DBADRM C[C@H](CS(=O)(=O)[N-]C(=O)CN1CCOCC1=O)C(C)(C)C ZINC000873604208 806687135 /nfs/dbraw/zinc/68/71/35/806687135.db2.gz RNSOZCUXBHEQGV-SNVBAGLBSA-N -1 0 320.411 -0.027 20 0 DBADRM CC[C@H]1COCCN1CCNC(=O)c1c[n-]n2c1nccc2=O ZINC000874707630 806713468 /nfs/dbraw/zinc/71/34/68/806713468.db2.gz DEKHOAXHJUFQEU-NSHDSACASA-N -1 0 319.365 -0.137 20 0 DBADRM COc1ccc(C=O)c(OCC(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000874966236 806724763 /nfs/dbraw/zinc/72/47/63/806724763.db2.gz SYICCKFARJYXRP-AWEZNQCLSA-N -1 0 311.290 -0.162 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)[N-]OCc2ccccc2)n1C ZINC001322203780 806720265 /nfs/dbraw/zinc/72/02/65/806720265.db2.gz BXOWWFYQCZDMIM-UHFFFAOYSA-N -1 0 303.322 -0.012 20 0 DBADRM C[C@@H](CN(C)CC(N)=O)NC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001322280371 806730303 /nfs/dbraw/zinc/73/03/03/806730303.db2.gz HCKVCHNCQUBEPA-QMMMGPOBSA-N -1 0 318.333 -0.894 20 0 DBADRM CCn1cc(S(=O)(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)cn1 ZINC001322324123 806733355 /nfs/dbraw/zinc/73/33/55/806733355.db2.gz XWPIPFMDQGJNRM-UHFFFAOYSA-N -1 0 323.338 -0.257 20 0 DBADRM C[C@@H](CNC(=O)C(=O)[N-]OCc1ccccc1)S(C)(=O)=O ZINC001322952160 806802487 /nfs/dbraw/zinc/80/24/87/806802487.db2.gz LJELPYJNQOXYEN-JTQLQIEISA-N -1 0 314.363 -0.216 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC1CCC(C(N)=O)CC1 ZINC001323209373 806835915 /nfs/dbraw/zinc/83/59/15/806835915.db2.gz GTVLQTFMJFYTCS-UHFFFAOYSA-N -1 0 301.343 -0.769 20 0 DBADRM Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001323267142 806846776 /nfs/dbraw/zinc/84/67/76/806846776.db2.gz REOCYMDBJBEKKD-PWSUYJOCSA-N -1 0 322.365 -0.002 20 0 DBADRM Cc1cc(C(=O)NCc2nc(=O)o[n-]2)c2c(=O)[nH]n(C)c2n1 ZINC001323328218 806857849 /nfs/dbraw/zinc/85/78/49/806857849.db2.gz PQTKMGYFKFTSHW-UHFFFAOYSA-N -1 0 304.266 -0.411 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CCC(=O)N2)ccc1[O-] ZINC001323320879 806856298 /nfs/dbraw/zinc/85/62/98/806856298.db2.gz IORDMTKHAUMGCG-QMMMGPOBSA-N -1 0 313.335 -0.483 20 0 DBADRM C[C@H](CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1)Cn1cccn1 ZINC001323332061 806858350 /nfs/dbraw/zinc/85/83/50/806858350.db2.gz LSVDGQPSGFJNGK-VXGBXAGGSA-N -1 0 310.354 -0.280 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001323503520 806881478 /nfs/dbraw/zinc/88/14/78/806881478.db2.gz HTEQVJMHKBRGOI-PVDFSEMESA-N -1 0 304.290 -0.130 20 0 DBADRM O=C(CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1)NCC(F)(F)F ZINC001323578086 806890449 /nfs/dbraw/zinc/89/04/49/806890449.db2.gz QYYMGKUGDYQWIW-ZCFIWIBFSA-N -1 0 322.247 -0.832 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN([C@H]2CCC(=O)NC2=O)C1 ZINC000879764158 806901630 /nfs/dbraw/zinc/90/16/30/806901630.db2.gz RTYNMKDCYWVUHT-CPCISQLKSA-N -1 0 307.272 -0.066 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)[N-]OC[C@H]2CCOC2)[C@H]1OC ZINC001323757867 806911290 /nfs/dbraw/zinc/91/12/90/806911290.db2.gz AMQIYCDBQUQHNU-NNYUYHANSA-N -1 0 316.354 -0.621 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CCCCC(N)=O ZINC001323952829 806932156 /nfs/dbraw/zinc/93/21/56/806932156.db2.gz GCSAOBQJMKUPKF-UHFFFAOYSA-N -1 0 308.356 -0.569 20 0 DBADRM COc1cccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c1F ZINC001324065690 806941317 /nfs/dbraw/zinc/94/13/17/806941317.db2.gz DIBQEHGNJWNUIW-UHFFFAOYSA-N -1 0 309.257 -0.087 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001324071396 806942307 /nfs/dbraw/zinc/94/23/07/806942307.db2.gz PJJFUAUYVLHVHI-PWSUYJOCSA-N -1 0 316.354 -0.477 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)CCCCC(N)=O)cnn1C ZINC001324159518 806948100 /nfs/dbraw/zinc/94/81/00/806948100.db2.gz UVJBJGOEFKVOFL-UHFFFAOYSA-N -1 0 302.356 -0.421 20 0 DBADRM Cn1ncc(NC(=O)C(=O)NCc2nnn[n-]2)c1C(F)(F)F ZINC001324307091 806962535 /nfs/dbraw/zinc/96/25/35/806962535.db2.gz SEXHEADJYZRBAT-UHFFFAOYSA-N -1 0 318.219 -0.793 20 0 DBADRM CCNC(=O)c1ccc(C)c(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC001324382559 806969071 /nfs/dbraw/zinc/96/90/71/806969071.db2.gz IUVQGKKTDVTISI-UHFFFAOYSA-N -1 0 322.321 -0.784 20 0 DBADRM O=S(=O)([N-]c1nc2ncccn2n1)c1cnn2c1OCCC2 ZINC001324339995 806965258 /nfs/dbraw/zinc/96/52/58/806965258.db2.gz IDQUPJVKPLTTAR-UHFFFAOYSA-N -1 0 321.322 -0.096 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC1(C)OCCCO1 ZINC000882126290 806967812 /nfs/dbraw/zinc/96/78/12/806967812.db2.gz YHQPUSAFPWPDOX-GOSISDBHSA-N -1 0 315.417 -0.452 20 0 DBADRM CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000882198211 806970072 /nfs/dbraw/zinc/97/00/72/806970072.db2.gz QTSQWCLVWGICGX-MRVPVSSYSA-N -1 0 320.383 -0.015 20 0 DBADRM COC(=O)C1(S(=O)(=O)[N-][C@H]2C(=O)OCC2(C)C)CCC1 ZINC000882247960 806973715 /nfs/dbraw/zinc/97/37/15/806973715.db2.gz AKYXGILOVWGNLU-QMMMGPOBSA-N -1 0 305.352 -0.047 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)C(=O)[N-]OC1CCCCC1 ZINC001324448383 806975448 /nfs/dbraw/zinc/97/54/48/806975448.db2.gz RTLUFZSUFRUKSN-UHFFFAOYSA-N -1 0 321.399 -0.578 20 0 DBADRM CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(OC)OC ZINC000882347555 806978124 /nfs/dbraw/zinc/97/81/24/806978124.db2.gz DKOSFHRCOJPSJA-ASCAZGACSA-N -1 0 317.433 -0.207 20 0 DBADRM CC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(OC)OC ZINC000882347556 806978171 /nfs/dbraw/zinc/97/81/71/806978171.db2.gz DKOSFHRCOJPSJA-CVJBHZAOSA-N -1 0 317.433 -0.207 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccn(C2CCCCC2)n1 ZINC001324743640 807003826 /nfs/dbraw/zinc/00/38/26/807003826.db2.gz ZWAXYDZSXVPNAE-UHFFFAOYSA-N -1 0 309.326 -0.140 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1C[C@H](O)CC2(CCOCC2)C1 ZINC000882862571 807004004 /nfs/dbraw/zinc/00/40/04/807004004.db2.gz ATHYBOJUTDCHDO-SNVBAGLBSA-N -1 0 301.368 -0.038 20 0 DBADRM CCCN1CCO[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001035467237 814948572 /nfs/dbraw/zinc/94/85/72/814948572.db2.gz NCQKLWVGAHTRPF-SNVBAGLBSA-N -1 0 310.354 -0.674 20 0 DBADRM Cc1nocc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035493227 814958378 /nfs/dbraw/zinc/95/83/78/814958378.db2.gz DWUMKJZOWXMVBL-SECBINFHSA-N -1 0 322.325 -0.562 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1)C(N)=O ZINC000035238371 803759206 /nfs/dbraw/zinc/75/92/06/803759206.db2.gz RMERLUMLEFREFH-ZETCQYMHSA-N -1 0 302.308 -0.698 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035510457 814962427 /nfs/dbraw/zinc/96/24/27/814962427.db2.gz KDWDMSCUKDQXOQ-GMTAPVOTSA-N -1 0 309.370 -0.127 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1nnc2n1CCN(CCC1CC1)C2 ZINC001278196987 803767883 /nfs/dbraw/zinc/76/78/83/803767883.db2.gz OXVXXGVBVCFVKO-UHFFFAOYSA-N -1 0 317.357 -0.909 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(CCC1CC1)C2 ZINC001278196720 803767923 /nfs/dbraw/zinc/76/79/23/803767923.db2.gz LRXUNBIZRDMBOH-UHFFFAOYSA-N -1 0 316.369 -0.234 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]NC(=O)c2ccc3c(c2)OCO3)cn1 ZINC000047992217 803772028 /nfs/dbraw/zinc/77/20/28/803772028.db2.gz HMDAXFOUEHCDHK-UHFFFAOYSA-N -1 0 324.318 -0.228 20 0 DBADRM O=C([N-]NC(=O)c1ccn[nH]1)c1csc(N2CCOCC2)n1 ZINC000048030218 803772431 /nfs/dbraw/zinc/77/24/31/803772431.db2.gz CUEBWFUJMRJZTB-UHFFFAOYSA-N -1 0 322.350 -0.222 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000048869701 803775402 /nfs/dbraw/zinc/77/54/02/803775402.db2.gz FNDFPIMICSWPDB-UHFFFAOYSA-N -1 0 305.400 -0.004 20 0 DBADRM Cn1cc(C(=O)[N-]NC(=O)C(=O)NC2CC2)c(C(F)(F)F)n1 ZINC000054000099 803779972 /nfs/dbraw/zinc/77/99/72/803779972.db2.gz IEZMQOJMFMISBS-UHFFFAOYSA-N -1 0 319.243 -0.522 20 0 DBADRM COc1ccc(OCCNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC000074733791 803788150 /nfs/dbraw/zinc/78/81/50/803788150.db2.gz WPIVHJCZMNPCEG-UHFFFAOYSA-N -1 0 306.278 -0.312 20 0 DBADRM COc1ccc(S(=O)(=O)NC(CO)CO)cc1C(=O)[O-] ZINC000087750788 803799122 /nfs/dbraw/zinc/79/91/22/803799122.db2.gz JMCIWTBWRDCSEM-UHFFFAOYSA-N -1 0 305.308 -0.975 20 0 DBADRM C[C@](O)(CNC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000090276521 803800459 /nfs/dbraw/zinc/80/04/59/803800459.db2.gz GYFZBRSCBJPEFD-LBPRGKRZSA-N -1 0 301.320 -0.345 20 0 DBADRM C[C@@H](NC(=O)c1cccs1)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000090275512 803800938 /nfs/dbraw/zinc/80/09/38/803800938.db2.gz DATRXOSBTYRWJL-KRTXAFLBSA-N -1 0 300.336 -0.182 20 0 DBADRM O=C([O-])COCCNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000093226837 803802105 /nfs/dbraw/zinc/80/21/05/803802105.db2.gz FIMUVGHTKRINAG-ZETCQYMHSA-N -1 0 312.244 -0.385 20 0 DBADRM NC(=O)CO[N-]C(=O)CNC(=O)c1ccc(Br)o1 ZINC000124226519 803811775 /nfs/dbraw/zinc/81/17/75/803811775.db2.gz XUOHOLXDDPIBSG-UHFFFAOYSA-N -1 0 320.099 -0.695 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)NCC[C@H](C)C(=O)[O-])CC1 ZINC000128919745 803812720 /nfs/dbraw/zinc/81/27/20/803812720.db2.gz TUWAXDXVJRRMRI-VIFPVBQESA-N -1 0 322.383 -0.183 20 0 DBADRM O=C(c1nc(=O)[nH][n-]1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000129300792 803814149 /nfs/dbraw/zinc/81/41/49/803814149.db2.gz LZOFSHIKIIBADQ-UHFFFAOYSA-N -1 0 319.296 -0.165 20 0 DBADRM CC[S@](=O)CCNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000132137501 803814807 /nfs/dbraw/zinc/81/48/07/803814807.db2.gz OLOXPYITOQIYJK-NIVTXAMTSA-N -1 0 312.413 -0.614 20 0 DBADRM CC[S@](=O)CCNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000132155141 803815500 /nfs/dbraw/zinc/81/55/00/803815500.db2.gz SQUCHYOFTUUNQO-QGZVFWFLSA-N -1 0 312.394 -0.112 20 0 DBADRM C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000136089783 803816864 /nfs/dbraw/zinc/81/68/64/803816864.db2.gz HTQWXRCVULJPMT-QMMMGPOBSA-N -1 0 300.336 -0.144 20 0 DBADRM CCN(CC)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000134407442 803817213 /nfs/dbraw/zinc/81/72/13/803817213.db2.gz MERNPMBSYGMOLE-UHFFFAOYSA-N -1 0 317.367 -0.130 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CCO[C@@H](CO)C1 ZINC000167089828 803823085 /nfs/dbraw/zinc/82/30/85/803823085.db2.gz BVMJBLPKCYUUFG-SECBINFHSA-N -1 0 301.320 -0.233 20 0 DBADRM CC(C)N1CCO[C@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001035535159 814968819 /nfs/dbraw/zinc/96/88/19/814968819.db2.gz FVQSXRUBRIOGBW-LLVKDONJSA-N -1 0 319.365 -0.138 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)ccn1C ZINC000194870474 803828753 /nfs/dbraw/zinc/82/87/53/803828753.db2.gz XIFCNCRVCOYBKW-UHFFFAOYSA-N -1 0 324.362 -0.110 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccnn2C)c1Cl ZINC000195493941 803829353 /nfs/dbraw/zinc/82/93/53/803829353.db2.gz OZEGONMKOFQPOE-UHFFFAOYSA-N -1 0 303.731 -0.074 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CNS(=O)(=O)CCCOC ZINC000262072240 803832233 /nfs/dbraw/zinc/83/22/33/803832233.db2.gz CODUCNVDEPMCAD-JTQLQIEISA-N -1 0 324.399 -0.346 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C)CC(=O)[O-] ZINC000262932111 803832528 /nfs/dbraw/zinc/83/25/28/803832528.db2.gz GLWVSRANZSMSGF-SECBINFHSA-N -1 0 310.372 -0.690 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC000315800047 803838235 /nfs/dbraw/zinc/83/82/35/803838235.db2.gz BXTRJDYPUZRNHU-ZDUSSCGKSA-N -1 0 303.278 -0.160 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000316362588 803839203 /nfs/dbraw/zinc/83/92/03/803839203.db2.gz GOHGEQMSIJJHOT-WDEREUQCSA-N -1 0 315.347 -0.333 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000316362587 803840112 /nfs/dbraw/zinc/84/01/12/803840112.db2.gz GOHGEQMSIJJHOT-QWRGUYRKSA-N -1 0 315.347 -0.333 20 0 DBADRM CN1CC[C@@H](N=c2ccc(C(=O)NC3CCOCC3)n[n-]2)C1=O ZINC000351588610 803845983 /nfs/dbraw/zinc/84/59/83/803845983.db2.gz WPHYHNWIBCZOGZ-GFCCVEGCSA-N -1 0 319.365 -0.550 20 0 DBADRM CCOCCCN1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001278851026 803846578 /nfs/dbraw/zinc/84/65/78/803846578.db2.gz OHKQIAADMBGVJU-UHFFFAOYSA-N -1 0 312.370 -0.373 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)C1CC=CC1 ZINC001278851092 803848059 /nfs/dbraw/zinc/84/80/59/803848059.db2.gz SSGZEXPNGPXKKP-LLVKDONJSA-N -1 0 309.370 -0.272 20 0 DBADRM NC(=O)C1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000381978074 803853008 /nfs/dbraw/zinc/85/30/08/803853008.db2.gz YMWUUDUDEACWMD-UHFFFAOYSA-N -1 0 314.319 -0.744 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000380641208 803853639 /nfs/dbraw/zinc/85/36/39/803853639.db2.gz NCLKCDHDLLKEMM-DTWKUNHWSA-N -1 0 307.372 -0.392 20 0 DBADRM COCC(=O)NC1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000383785232 803854978 /nfs/dbraw/zinc/85/49/78/803854978.db2.gz VDIDYACRFXKRKC-UHFFFAOYSA-N -1 0 302.356 -0.675 20 0 DBADRM CCOc1ccccc1OCC(=O)NCC(=O)NCC(=O)[O-] ZINC000386402955 803855477 /nfs/dbraw/zinc/85/54/77/803855477.db2.gz LYRINFXFASXAQR-UHFFFAOYSA-N -1 0 310.306 -0.219 20 0 DBADRM COc1cccc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC000386501709 803855692 /nfs/dbraw/zinc/85/56/92/803855692.db2.gz UNTXUWXAYJQKRV-LBPRGKRZSA-N -1 0 301.320 -0.095 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000386550609 803855727 /nfs/dbraw/zinc/85/57/27/803855727.db2.gz LWAZYJZNJAXOFA-ZUZCIYMTSA-N -1 0 310.350 -0.175 20 0 DBADRM COc1cccc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)c1 ZINC000386501706 803855944 /nfs/dbraw/zinc/85/59/44/803855944.db2.gz UNTXUWXAYJQKRV-GFCCVEGCSA-N -1 0 301.320 -0.095 20 0 DBADRM COc1ccccc1S(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000386501794 803856030 /nfs/dbraw/zinc/85/60/30/803856030.db2.gz UOQDWWWELRTKSX-LBPRGKRZSA-N -1 0 301.320 -0.095 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC000386571962 803856147 /nfs/dbraw/zinc/85/61/47/803856147.db2.gz QZBXRSIRKOQZMI-SNVBAGLBSA-N -1 0 307.228 -0.050 20 0 DBADRM CN1CC(CNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1 ZINC000390784806 803858566 /nfs/dbraw/zinc/85/85/66/803858566.db2.gz NOQDDIJEXNJHJB-UHFFFAOYSA-N -1 0 300.336 -0.070 20 0 DBADRM CS(=O)(=O)c1ccc(N[C@@H]2CO[N-]C2=O)c([N+](=O)[O-])c1 ZINC000393825265 803860268 /nfs/dbraw/zinc/86/02/68/803860268.db2.gz OSCCAGLKPTXNRD-MRVPVSSYSA-N -1 0 301.280 -0.160 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC000396899399 803862017 /nfs/dbraw/zinc/86/20/17/803862017.db2.gz VSGGESDUFJHSHI-KOLCDFICSA-N -1 0 315.347 -0.251 20 0 DBADRM CC[C@](C)(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)OC ZINC000396760772 803862121 /nfs/dbraw/zinc/86/21/21/803862121.db2.gz HKUFQSXTMVRLRH-CYBMUJFWSA-N -1 0 301.343 -0.260 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000396740000 803862383 /nfs/dbraw/zinc/86/23/83/803862383.db2.gz CLJUVGKPDQPBHK-UHFFFAOYSA-N -1 0 320.301 -0.173 20 0 DBADRM COC[C@H](NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C(C)C ZINC000396774342 803862545 /nfs/dbraw/zinc/86/25/45/803862545.db2.gz WDZBXBFRUFGRDW-JTQLQIEISA-N -1 0 301.343 -0.404 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC000396901611 803863417 /nfs/dbraw/zinc/86/34/17/803863417.db2.gz XAJNYNOXVYSFLP-PWSUYJOCSA-N -1 0 315.347 -0.251 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC000397069596 803863668 /nfs/dbraw/zinc/86/36/68/803863668.db2.gz XWEBWBPFVQLSGN-NXEZZACHSA-N -1 0 319.383 -0.952 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000399148863 803863910 /nfs/dbraw/zinc/86/39/10/803863910.db2.gz DOXWEWKQJLTHSQ-QMMMGPOBSA-N -1 0 307.393 -0.160 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000399238347 803864213 /nfs/dbraw/zinc/86/42/13/803864213.db2.gz LRDZLQXCEGFIPE-VIFPVBQESA-N -1 0 304.368 -0.409 20 0 DBADRM CC(C)(C)C[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000401507703 803865054 /nfs/dbraw/zinc/86/50/54/803865054.db2.gz FKDRBGQJTQLIRP-MRVPVSSYSA-N -1 0 315.413 -0.160 20 0 DBADRM CN(C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(C)(C)C(=O)[O-] ZINC000400186505 803865410 /nfs/dbraw/zinc/86/54/10/803865410.db2.gz JUSLVSNOZZEVRI-QMMMGPOBSA-N -1 0 307.372 -0.475 20 0 DBADRM NC(=O)CCn1ccc(=NC(=O)c2cc3c(cc2[O-])OCO3)[nH]1 ZINC000436526260 803869686 /nfs/dbraw/zinc/86/96/86/803869686.db2.gz COGWMTFEYZQSCB-UHFFFAOYSA-N -1 0 318.289 -0.133 20 0 DBADRM CN1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1=O ZINC000625763205 803889563 /nfs/dbraw/zinc/88/95/63/803889563.db2.gz CKNCAYLHXQIIQY-UHFFFAOYSA-N -1 0 312.351 -0.633 20 0 DBADRM COc1ncc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1Cl ZINC000650388381 803897282 /nfs/dbraw/zinc/89/72/82/803897282.db2.gz IFBNDBPDYUBSOC-ZETCQYMHSA-N -1 0 310.715 -0.533 20 0 DBADRM CC(C)[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cnnn1C ZINC000650419859 803898495 /nfs/dbraw/zinc/89/84/95/803898495.db2.gz FRMBLNUQVBURAP-WPRPVWTQSA-N -1 0 302.356 -0.065 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@H](Cc2ncccn2)C(=O)[O-])c[nH]1 ZINC000650428986 803898564 /nfs/dbraw/zinc/89/85/64/803898564.db2.gz YOOOZLDYVUQSDI-MRVPVSSYSA-N -1 0 311.323 -0.518 20 0 DBADRM COCCN(CCOC)S(=O)(=O)NC1([C@H](C)C(=O)[O-])CC1 ZINC000650427045 803898575 /nfs/dbraw/zinc/89/85/75/803898575.db2.gz ZZBSSNXQVKYFLP-SNVBAGLBSA-N -1 0 324.399 -0.331 20 0 DBADRM COC[C@H](C)S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000650428816 803898697 /nfs/dbraw/zinc/89/86/97/803898697.db2.gz UKVICMVLNZASDD-DTWKUNHWSA-N -1 0 303.340 -0.573 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000650430169 803899193 /nfs/dbraw/zinc/89/91/93/803899193.db2.gz HHADMKVSFMOHBR-WCBMZHEXSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000650430168 803899266 /nfs/dbraw/zinc/89/92/66/803899266.db2.gz HHADMKVSFMOHBR-SCZZXKLOSA-N -1 0 306.384 -0.117 20 0 DBADRM CN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000690131526 803908084 /nfs/dbraw/zinc/90/80/84/803908084.db2.gz MWWFIMVUEABYIL-SECBINFHSA-N -1 0 301.324 -0.436 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)CCS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000693468894 803909251 /nfs/dbraw/zinc/90/92/51/803909251.db2.gz GQMGBJMALHFQFE-BDAKNGLRSA-N -1 0 313.397 -0.597 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNc2cc(C(=O)[O-])ncn2)C1 ZINC000690742680 803909501 /nfs/dbraw/zinc/90/95/01/803909501.db2.gz RECNLLZPHDZYDW-MRVPVSSYSA-N -1 0 300.340 -0.132 20 0 DBADRM CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000700947752 803912585 /nfs/dbraw/zinc/91/25/85/803912585.db2.gz RFCWCQSQXZJZOC-UHFFFAOYSA-N -1 0 315.413 -0.207 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1N(S(=O)(=O)N1CCOCC1)CC2 ZINC000711599680 803921416 /nfs/dbraw/zinc/92/14/16/803921416.db2.gz SPHGHMONVUGTJC-PWSUYJOCSA-N -1 0 304.368 -0.107 20 0 DBADRM CCn1nc(C)c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1C ZINC000737918720 803936188 /nfs/dbraw/zinc/93/61/88/803936188.db2.gz DZSBCDCVSGEXCB-UHFFFAOYSA-N -1 0 308.338 -0.111 20 0 DBADRM O=C(CCCNC(=O)C1CC1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000738055690 803936770 /nfs/dbraw/zinc/93/67/70/803936770.db2.gz PAQGYNDFDHXFFB-SNVBAGLBSA-N -1 0 308.342 -0.594 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000738517934 803938153 /nfs/dbraw/zinc/93/81/53/803938153.db2.gz QZBDQJZFWKIKPM-GFCCVEGCSA-N -1 0 322.292 -0.115 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000738758448 803938659 /nfs/dbraw/zinc/93/86/59/803938659.db2.gz UYNZWOZMUBVYFG-NSHDSACASA-N -1 0 315.370 -0.720 20 0 DBADRM Cn1cc(C(=O)N2CCSC[C@H]2CC(=O)[O-])c(=O)[nH]c1=O ZINC000739026875 803939556 /nfs/dbraw/zinc/93/95/56/803939556.db2.gz SMBWHWADSMXMKF-SSDOTTSWSA-N -1 0 313.335 -0.482 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)Cn1nnc2ccccc2c1=O ZINC000739201414 803940007 /nfs/dbraw/zinc/94/00/07/803940007.db2.gz UGEFMQSTIWHJJS-UHFFFAOYSA-N -1 0 310.335 -0.353 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000739196422 803940124 /nfs/dbraw/zinc/94/01/24/803940124.db2.gz TXYRNWVZTUSUSB-UHFFFAOYSA-N -1 0 323.396 -0.265 20 0 DBADRM CC[C@@H](O)CN1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739262664 803940936 /nfs/dbraw/zinc/94/09/36/803940936.db2.gz BBSKBOBERKVRLD-NEPJUHHUSA-N -1 0 315.370 -0.720 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000739676695 803941226 /nfs/dbraw/zinc/94/12/26/803941226.db2.gz BHIVGOMPAQSLMC-UHFFFAOYSA-N -1 0 308.298 -0.813 20 0 DBADRM CCOCCNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739487464 803941443 /nfs/dbraw/zinc/94/14/43/803941443.db2.gz LOBDQPBQASDTOU-UHFFFAOYSA-N -1 0 302.375 -0.040 20 0 DBADRM CCN(CCNC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-] ZINC000739439069 803941609 /nfs/dbraw/zinc/94/16/09/803941609.db2.gz HQEXUJOCONOOJF-UHFFFAOYSA-N -1 0 312.330 -0.904 20 0 DBADRM COCCN(CC(=O)NCCN1CCOC[C@H]1C)C(=O)[O-] ZINC000739819160 803942674 /nfs/dbraw/zinc/94/26/74/803942674.db2.gz WDMBVXSXNJQNFI-LLVKDONJSA-N -1 0 303.359 -0.550 20 0 DBADRM COCCN(CC(=O)N(C)[C@H]1CCCCNC1=O)C(=O)[O-] ZINC000739811437 803942916 /nfs/dbraw/zinc/94/29/16/803942916.db2.gz CTCOEBHROUWFLV-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM Cn1c(=O)ccn(CC(=O)OC[C@H]2CCN(C(=O)[O-])C2)c1=O ZINC000740274971 803946380 /nfs/dbraw/zinc/94/63/80/803946380.db2.gz DZWWWBBXVCVWHO-VIFPVBQESA-N -1 0 311.294 -0.910 20 0 DBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)C(C)C ZINC000741442763 803958779 /nfs/dbraw/zinc/95/87/79/803958779.db2.gz NZKGPZVTQCJJQL-ONGXEEELSA-N -1 0 322.383 -0.992 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)C1CC=CC1 ZINC001280513175 803968113 /nfs/dbraw/zinc/96/81/13/803968113.db2.gz BEDWBGUQQTZJJC-VIFPVBQESA-N -1 0 323.353 -0.381 20 0 DBADRM CC[C@H](C)[C@](C)(O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000743483078 803980459 /nfs/dbraw/zinc/98/04/59/803980459.db2.gz XEKNNCZFCKESEY-LKFCYVNXSA-N -1 0 307.354 -0.016 20 0 DBADRM COc1ccccc1S(=O)(=O)[N-]C(=O)CN(C)C(C)=O ZINC000744206968 803987128 /nfs/dbraw/zinc/98/71/28/803987128.db2.gz IMNMIVZMKGKRTB-UHFFFAOYSA-N -1 0 300.336 -0.022 20 0 DBADRM CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000744136628 803987250 /nfs/dbraw/zinc/98/72/50/803987250.db2.gz IBMLVXUQZSTWJS-SNVBAGLBSA-N -1 0 306.384 -0.084 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000744266077 803988190 /nfs/dbraw/zinc/98/81/90/803988190.db2.gz RGERPNITCYWFGQ-UHFFFAOYSA-N -1 0 316.257 -0.466 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000744242046 803988630 /nfs/dbraw/zinc/98/86/30/803988630.db2.gz SHABDTUXZIGJIG-LDYMZIIASA-N -1 0 321.424 -0.247 20 0 DBADRM CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000744264765 803988707 /nfs/dbraw/zinc/98/87/07/803988707.db2.gz GZQCEFVYIYTAMN-UHFFFAOYSA-N -1 0 311.303 -0.181 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC000744238285 803988886 /nfs/dbraw/zinc/98/88/86/803988886.db2.gz GZLOWLDWFNWTKT-SECBINFHSA-N -1 0 305.400 -0.006 20 0 DBADRM CCO[N-]C(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000746110776 804010460 /nfs/dbraw/zinc/01/04/60/804010460.db2.gz KKHIQBNVGQCSKT-LLVKDONJSA-N -1 0 319.317 -0.016 20 0 DBADRM CC[C@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)N1CCCC1=O ZINC000746236630 804011675 /nfs/dbraw/zinc/01/16/75/804011675.db2.gz KPLHWEUQQNHLDK-NXEZZACHSA-N -1 0 308.342 -0.499 20 0 DBADRM NC(=O)CCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000746686371 804019596 /nfs/dbraw/zinc/01/95/96/804019596.db2.gz HZRVEQOPYXSJSQ-UHFFFAOYSA-N -1 0 306.347 -0.323 20 0 DBADRM O=C([N-]S(=O)(=O)Cc1ccon1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000747178332 804025129 /nfs/dbraw/zinc/02/51/29/804025129.db2.gz GDOOQAKUTWQSTG-MRVPVSSYSA-N -1 0 313.335 -0.369 20 0 DBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)cn1 ZINC000747182317 804025653 /nfs/dbraw/zinc/02/56/53/804025653.db2.gz JGCPKFJWJKIMKL-UHFFFAOYSA-N -1 0 324.318 -0.311 20 0 DBADRM COC(=O)C1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCC1 ZINC000747250317 804026161 /nfs/dbraw/zinc/02/61/61/804026161.db2.gz FZOFYSMNQQQATG-UHFFFAOYSA-N -1 0 305.294 -0.717 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000747473551 804028279 /nfs/dbraw/zinc/02/82/79/804028279.db2.gz HFFABFJJPIQYPZ-WPRPVWTQSA-N -1 0 324.366 -0.657 20 0 DBADRM CN1C[C@H](C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)CC1=O ZINC000747474550 804028331 /nfs/dbraw/zinc/02/83/31/804028331.db2.gz WACCKELVAWKUCY-ZYHUDNBSSA-N -1 0 300.322 -0.116 20 0 DBADRM O=C(CCOCC(F)(F)F)[N-]S(=O)(=O)N1CCOCC1 ZINC000747750835 804031404 /nfs/dbraw/zinc/03/14/04/804031404.db2.gz AXZQUTOCYLFOFL-UHFFFAOYSA-N -1 0 320.289 -0.351 20 0 DBADRM COc1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cn1 ZINC000747751057 804031458 /nfs/dbraw/zinc/03/14/58/804031458.db2.gz DJMZBLVIIBJVEZ-UHFFFAOYSA-N -1 0 301.324 -0.603 20 0 DBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747752407 804031537 /nfs/dbraw/zinc/03/15/37/804031537.db2.gz SHJLAGCNRGNQET-JTQLQIEISA-N -1 0 310.372 -0.879 20 0 DBADRM COC(=O)/C(C)=C\COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000748182143 804036361 /nfs/dbraw/zinc/03/63/61/804036361.db2.gz ANYACISDWXGOLJ-BAQGIRSFSA-N -1 0 306.278 -0.266 20 0 DBADRM O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1cc(=O)[nH][n-]1 ZINC000748363692 804037393 /nfs/dbraw/zinc/03/73/93/804037393.db2.gz AEIMWMKCWVCHQC-UHFFFAOYSA-N -1 0 320.271 -0.221 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCOCC12CCC2 ZINC000749033726 804046278 /nfs/dbraw/zinc/04/62/78/804046278.db2.gz QEHVSXODUQKHAB-UHFFFAOYSA-N -1 0 303.322 -0.147 20 0 DBADRM NC(=O)[C@H]1CCCC[C@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000749187038 804047166 /nfs/dbraw/zinc/04/71/66/804047166.db2.gz XGGWZPQKFGEGLN-WCBMZHEXSA-N -1 0 318.337 -0.769 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)[O-])cc1C ZINC000750082203 804058006 /nfs/dbraw/zinc/05/80/06/804058006.db2.gz CBJGBZLZHDVVDT-UHFFFAOYSA-N -1 0 321.333 -0.650 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cnn2c1CCCC2 ZINC000750621240 804062491 /nfs/dbraw/zinc/06/24/91/804062491.db2.gz NEILKFGGUWHDCU-UHFFFAOYSA-N -1 0 314.367 -0.474 20 0 DBADRM Cc1cc(C)n(CCC(=O)[N-]S(=O)(=O)N2CCOCC2)n1 ZINC000750725244 804064496 /nfs/dbraw/zinc/06/44/96/804064496.db2.gz MJMKEQARMCXCOQ-UHFFFAOYSA-N -1 0 316.383 -0.417 20 0 DBADRM COc1cccc(CC(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000750732522 804064620 /nfs/dbraw/zinc/06/46/20/804064620.db2.gz VOMRBOBDYXBDNL-UHFFFAOYSA-N -1 0 314.363 -0.069 20 0 DBADRM COc1c(C(=O)[N-]S(=O)(=O)N2CCOCC2)c(C)nn1C ZINC000750730015 804064921 /nfs/dbraw/zinc/06/49/21/804064921.db2.gz UVXWJQZCYSPAJW-UHFFFAOYSA-N -1 0 318.355 -0.956 20 0 DBADRM O=C(CCC1CCOCC1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750729679 804064968 /nfs/dbraw/zinc/06/49/68/804064968.db2.gz RZHLHBCYTAUBOT-UHFFFAOYSA-N -1 0 306.384 -0.114 20 0 DBADRM Cc1conc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035573546 814988283 /nfs/dbraw/zinc/98/82/83/814988283.db2.gz LPAWVJJGPULMEV-VIFPVBQESA-N -1 0 322.325 -0.562 20 0 DBADRM COc1ccc([C@H](O)CNC(=O)c2cnc([O-])n(C)c2=O)cc1 ZINC000751533445 804076123 /nfs/dbraw/zinc/07/61/23/804076123.db2.gz NYOGSTYUDSHQJK-GFCCVEGCSA-N -1 0 319.317 -0.042 20 0 DBADRM COc1cccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)n1 ZINC000752185967 804085411 /nfs/dbraw/zinc/08/54/11/804085411.db2.gz ULMNVLAQIMMPIJ-UHFFFAOYSA-N -1 0 301.324 -0.603 20 0 DBADRM COC(=O)[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC000752338860 804087088 /nfs/dbraw/zinc/08/70/88/804087088.db2.gz SHMNZCJNLCNWPK-SNVBAGLBSA-N -1 0 305.294 -0.861 20 0 DBADRM CN(CC1(O)CCCC1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000752494742 804089773 /nfs/dbraw/zinc/08/97/73/804089773.db2.gz FCLAFURBZHALEG-UHFFFAOYSA-N -1 0 305.338 -0.165 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000753949821 804113715 /nfs/dbraw/zinc/11/37/15/804113715.db2.gz HUUGCICBJFZEPN-NXEZZACHSA-N -1 0 300.311 -0.140 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)[N-]S(=O)(=O)CC1CCC1 ZINC000755117566 804132931 /nfs/dbraw/zinc/13/29/31/804132931.db2.gz XCVJGVURXFAGGB-UHFFFAOYSA-N -1 0 317.367 -0.436 20 0 DBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)CC2CCC2)CC1=O ZINC000755127209 804133247 /nfs/dbraw/zinc/13/32/47/804133247.db2.gz QIZQXVKHIJNUQG-LLVKDONJSA-N -1 0 318.395 -0.273 20 0 DBADRM CCn1c(=O)c2ccc(C(=O)NC(CO)CO)cc2[n-]c1=S ZINC000755685520 804138711 /nfs/dbraw/zinc/13/87/11/804138711.db2.gz YTHUJPCOURBFNM-UHFFFAOYSA-N -1 0 323.374 -0.212 20 0 DBADRM CN1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C(C)(C)C1=O ZINC000755592064 804139295 /nfs/dbraw/zinc/13/92/95/804139295.db2.gz DQUVVASOMFRBRQ-UHFFFAOYSA-N -1 0 318.337 -0.850 20 0 DBADRM Cn1nnc2ccc(C(=O)[N-]S(=O)(=O)c3cnccn3)cc21 ZINC000755735169 804140217 /nfs/dbraw/zinc/14/02/17/804140217.db2.gz SHXPKASZPYMWBE-UHFFFAOYSA-N -1 0 318.318 -0.123 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000755754769 804140376 /nfs/dbraw/zinc/14/03/76/804140376.db2.gz AWKMAECXHAEHEV-QWRGUYRKSA-N -1 0 306.384 -0.810 20 0 DBADRM C[C@@H]1CN(C)C[C@H](C)N1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000756148175 804145907 /nfs/dbraw/zinc/14/59/07/804145907.db2.gz YWNYPWVNMBVZIR-AOOOYVTPSA-N -1 0 304.354 -0.378 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000756284560 804147694 /nfs/dbraw/zinc/14/76/94/804147694.db2.gz NQYFTECFIFJKCG-UHFFFAOYSA-N -1 0 308.319 -0.362 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C ZINC000756275228 804148053 /nfs/dbraw/zinc/14/80/53/804148053.db2.gz KHNUPWSYKTZRFP-UHFFFAOYSA-N -1 0 302.356 -0.561 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCO[C@@H]2CCOC[C@H]21 ZINC001465115182 804149803 /nfs/dbraw/zinc/14/98/03/804149803.db2.gz KPQDECYRRJOHLS-DBIOUOCHSA-N -1 0 305.352 -0.331 20 0 DBADRM NC(=O)C([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(N)=O ZINC000756905660 804157298 /nfs/dbraw/zinc/15/72/98/804157298.db2.gz NAUWOFPNNINUTD-UHFFFAOYSA-N -1 0 307.203 -0.488 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000757329290 804161730 /nfs/dbraw/zinc/16/17/30/804161730.db2.gz GXCLDDOKVSDALN-VIFPVBQESA-N -1 0 323.415 -0.524 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCCC(=O)NC(C)C ZINC000757321759 804161741 /nfs/dbraw/zinc/16/17/41/804161741.db2.gz DOZWGEYPIGNUDC-UHFFFAOYSA-N -1 0 323.415 -0.380 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)/C=C/c1cnn(C)c1 ZINC000757333794 804163321 /nfs/dbraw/zinc/16/33/21/804163321.db2.gz DNYLFXVUTCVMPV-SNAWJCMRSA-N -1 0 302.356 -0.628 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCOC[C@H]1CCCO1 ZINC000757339681 804163386 /nfs/dbraw/zinc/16/33/86/804163386.db2.gz JJWRXQUUWOXYAR-LLVKDONJSA-N -1 0 324.399 -0.489 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC000757334063 804163520 /nfs/dbraw/zinc/16/35/20/804163520.db2.gz IUFVXKFREYAFBK-LBPRGKRZSA-N -1 0 321.399 -0.816 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)COc1c(C)nn(C)c1C ZINC000758522553 804189341 /nfs/dbraw/zinc/18/93/41/804189341.db2.gz HZZCEAVGKSOYIP-UHFFFAOYSA-N -1 0 319.383 -0.102 20 0 DBADRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758579657 804190249 /nfs/dbraw/zinc/19/02/49/804190249.db2.gz VIKZYBNVEPHUTE-UHFFFAOYSA-N -1 0 314.367 -0.022 20 0 DBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758579516 804190951 /nfs/dbraw/zinc/19/09/51/804190951.db2.gz SCWLHCUINLVFMZ-VIFPVBQESA-N -1 0 303.340 -0.277 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)CSc1n[n-]c(=S)s1 ZINC000758589703 804192279 /nfs/dbraw/zinc/19/22/79/804192279.db2.gz VAXQTZZEYXDMAO-UHFFFAOYSA-N -1 0 321.409 -0.380 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)C(N)=O ZINC000758743469 804193026 /nfs/dbraw/zinc/19/30/26/804193026.db2.gz FHAULKSLLJGPDZ-ZETCQYMHSA-N -1 0 306.347 -0.325 20 0 DBADRM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000759096267 804199450 /nfs/dbraw/zinc/19/94/50/804199450.db2.gz ZLHNHVSAVDRFLF-VIFPVBQESA-N -1 0 316.383 -0.817 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000759173076 804200784 /nfs/dbraw/zinc/20/07/84/804200784.db2.gz QFLCUHRETREYSV-UHFFFAOYSA-N -1 0 314.363 -0.095 20 0 DBADRM Cc1c(CCC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cnn1C ZINC000759347033 804201632 /nfs/dbraw/zinc/20/16/32/804201632.db2.gz PQQCPSJEQPLVPR-LLVKDONJSA-N -1 0 301.368 -0.104 20 0 DBADRM CO[C@H](C)C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759509972 804203661 /nfs/dbraw/zinc/20/36/61/804203661.db2.gz JCKFTPCJEHMMIQ-SCSAIBSYSA-N -1 0 308.341 -0.664 20 0 DBADRM CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759510987 804204427 /nfs/dbraw/zinc/20/44/27/804204427.db2.gz LZFIRWKGNYKSIG-RXMQYKEDSA-N -1 0 322.368 -0.274 20 0 DBADRM CCCCn1ncc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1CC ZINC000759642182 804206149 /nfs/dbraw/zinc/20/61/49/804206149.db2.gz FAJGZEYCXCMXTK-UHFFFAOYSA-N -1 0 316.383 -0.210 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)cn1 ZINC000759829899 804210099 /nfs/dbraw/zinc/21/00/99/804210099.db2.gz ARJVDJLXFFBQDF-UHFFFAOYSA-N -1 0 324.318 -0.364 20 0 DBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000759804716 804210151 /nfs/dbraw/zinc/21/01/51/804210151.db2.gz ZIYFJESUKUECML-UHFFFAOYSA-N -1 0 318.351 -0.052 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)Cc2cnn(C)c2)cn1 ZINC000759835305 804210193 /nfs/dbraw/zinc/21/01/93/804210193.db2.gz ZKYZQHDIHLSEAB-UHFFFAOYSA-N -1 0 310.335 -0.129 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H](C)C(=O)[O-] ZINC000760117554 804220314 /nfs/dbraw/zinc/22/03/14/804220314.db2.gz JBYSSEAGGIPLGM-ZCFIWIBFSA-N -1 0 305.312 -0.354 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000760109861 804220804 /nfs/dbraw/zinc/22/08/04/804220804.db2.gz XSWHFZIMDPYAQN-AWEZNQCLSA-N -1 0 319.321 -0.517 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCCCC2)co1 ZINC000760203652 804222153 /nfs/dbraw/zinc/22/21/53/804222153.db2.gz YJXBMCNREPSGMJ-UHFFFAOYSA-N -1 0 301.324 -0.161 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnccn1)c1cnc2nccnc2c1 ZINC000760245749 804223032 /nfs/dbraw/zinc/22/30/32/804223032.db2.gz ZBOBBBQUOYRJKL-UHFFFAOYSA-N -1 0 316.302 -0.067 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1cnc2nccnc2c1 ZINC000760220968 804223267 /nfs/dbraw/zinc/22/32/67/804223267.db2.gz UHHZWEJINZGXBN-SECBINFHSA-N -1 0 308.319 -0.127 20 0 DBADRM COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)c2cnccn2)c1 ZINC000760242985 804223281 /nfs/dbraw/zinc/22/32/81/804223281.db2.gz IQEOVRIOWNZWLE-UHFFFAOYSA-N -1 0 322.302 -0.223 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN2C(=O)N=NC2C1 ZINC000760509925 804225095 /nfs/dbraw/zinc/22/50/95/804225095.db2.gz FNCQVHHQLXEJOE-UHFFFAOYSA-N -1 0 321.259 -0.217 20 0 DBADRM COC[C@@H](O)CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760487860 804225320 /nfs/dbraw/zinc/22/53/20/804225320.db2.gz VSIJAILYRVHNLY-ZETCQYMHSA-N -1 0 300.277 -0.043 20 0 DBADRM CCOC(=O)CC[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000760807718 804229495 /nfs/dbraw/zinc/22/94/95/804229495.db2.gz KFNLQWPDTUCGFU-VIFPVBQESA-N -1 0 321.337 -0.081 20 0 DBADRM CCOC(=O)C[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000760990849 804230357 /nfs/dbraw/zinc/23/03/57/804230357.db2.gz GBJUTDMQXGTZSP-MRVPVSSYSA-N -1 0 307.310 -0.471 20 0 DBADRM CCCC[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)OC ZINC000760977170 804231156 /nfs/dbraw/zinc/23/11/56/804231156.db2.gz WUMIFSBASRNUOA-SNVBAGLBSA-N -1 0 321.337 -0.081 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(F)(F)F ZINC000761058763 804233005 /nfs/dbraw/zinc/23/30/05/804233005.db2.gz CFJODCBFOIDZLX-SNVBAGLBSA-N -1 0 319.243 -0.499 20 0 DBADRM COC(=O)[C@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC000761127636 804235046 /nfs/dbraw/zinc/23/50/46/804235046.db2.gz IBMOHQFHEFLFFJ-SNVBAGLBSA-N -1 0 306.278 -0.434 20 0 DBADRM CN1CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1=O ZINC000761321687 804238507 /nfs/dbraw/zinc/23/85/07/804238507.db2.gz QHDUSVQMCGLSQU-UHFFFAOYSA-N -1 0 302.283 -0.056 20 0 DBADRM NC(=O)c1csc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)c1 ZINC000762131117 804244534 /nfs/dbraw/zinc/24/45/34/804244534.db2.gz HXLBILWOTHZVTK-ZETCQYMHSA-N -1 0 318.376 -0.057 20 0 DBADRM COc1ncc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cn1 ZINC000762131486 804244696 /nfs/dbraw/zinc/24/46/96/804244696.db2.gz WSAPHEYAJMQWMQ-MRVPVSSYSA-N -1 0 301.324 -0.419 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000763015399 804259336 /nfs/dbraw/zinc/25/93/36/804259336.db2.gz ZKXCTQANXWZJBN-GXSJLCMTSA-N -1 0 306.384 -0.069 20 0 DBADRM Cc1cc(C)n(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC000763449969 804267316 /nfs/dbraw/zinc/26/73/16/804267316.db2.gz GMQCTBBTEWINGS-UHFFFAOYSA-N -1 0 302.356 -0.918 20 0 DBADRM C[C@@H](OC[C@H]1CCCO1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763448100 804267590 /nfs/dbraw/zinc/26/75/90/804267590.db2.gz APPWKWQWKRDHAO-NXEZZACHSA-N -1 0 322.383 -0.847 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763447964 804267658 /nfs/dbraw/zinc/26/76/58/804267658.db2.gz TXSMDMCLQCDITI-MRVPVSSYSA-N -1 0 321.399 -0.881 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCCc1ccccn1 ZINC000763450887 804267978 /nfs/dbraw/zinc/26/79/78/804267978.db2.gz LAMXGMRLOAFDJT-UHFFFAOYSA-N -1 0 313.379 -0.014 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)COc1cccnc1 ZINC000763455755 804268821 /nfs/dbraw/zinc/26/88/21/804268821.db2.gz YNCBZYJJXBIXLM-UHFFFAOYSA-N -1 0 301.324 -0.958 20 0 DBADRM COc1ccc2c(c1)[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2 ZINC000764071721 804279264 /nfs/dbraw/zinc/27/92/64/804279264.db2.gz RJYIGNMICDLLKM-JTQLQIEISA-N -1 0 312.347 -0.344 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC000764152185 804279674 /nfs/dbraw/zinc/27/96/74/804279674.db2.gz PYQXXPIMXMQDFL-JTQLQIEISA-N -1 0 302.352 -0.281 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)Sc1nncn1C ZINC000764205845 804280125 /nfs/dbraw/zinc/28/01/25/804280125.db2.gz FEEGODUWDSRAOW-SFYZADRCSA-N -1 0 322.412 -0.223 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC000764206296 804280169 /nfs/dbraw/zinc/28/01/69/804280169.db2.gz GKSMZSWXXCRIKK-MWLCHTKSSA-N -1 0 306.384 -0.274 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000764215160 804280754 /nfs/dbraw/zinc/28/07/54/804280754.db2.gz DVHYBDYWYZGWFD-SECBINFHSA-N -1 0 320.367 -0.604 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000764767569 804287903 /nfs/dbraw/zinc/28/79/03/804287903.db2.gz LXPKZTLPZVLARH-UHFFFAOYSA-N -1 0 314.319 -0.389 20 0 DBADRM COCc1ccccc1S(=O)(=O)[N-]C(=O)CNC(C)=O ZINC000764797384 804289013 /nfs/dbraw/zinc/28/90/13/804289013.db2.gz VOZMFIFOLZESJC-UHFFFAOYSA-N -1 0 300.336 -0.226 20 0 DBADRM O=C([O-])C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000765028973 804292801 /nfs/dbraw/zinc/29/28/01/804292801.db2.gz DZNMOTITEIFYKV-UHFFFAOYSA-N -1 0 300.283 -0.548 20 0 DBADRM C[C@H]1CN=C(N2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)S1 ZINC000765488924 804301680 /nfs/dbraw/zinc/30/16/80/804301680.db2.gz IIDMFFWPADHKDI-ZETCQYMHSA-N -1 0 324.366 -0.468 20 0 DBADRM Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)c3ccnn3C)c2n1 ZINC000765648218 804304577 /nfs/dbraw/zinc/30/45/77/804304577.db2.gz DEHPTAQUZMNZOX-UHFFFAOYSA-N -1 0 320.334 -0.110 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000765642251 804304684 /nfs/dbraw/zinc/30/46/84/804304684.db2.gz NYIZNJWXDWKBLS-UHFFFAOYSA-N -1 0 314.348 -0.301 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CCOC[C@H]1CCCO1 ZINC000765650982 804304862 /nfs/dbraw/zinc/30/48/62/804304862.db2.gz OAZHLNMABZWODI-SNVBAGLBSA-N -1 0 317.367 -0.189 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765652663 804305164 /nfs/dbraw/zinc/30/51/64/804305164.db2.gz VRKOVONPFMNTLH-UWVGGRQHSA-N -1 0 317.367 -0.191 20 0 DBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765657916 804306219 /nfs/dbraw/zinc/30/62/19/804306219.db2.gz MUOOXFGHVOGQQL-VIFPVBQESA-N -1 0 305.356 -0.333 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)nc1C ZINC000765964787 804309305 /nfs/dbraw/zinc/30/93/05/804309305.db2.gz JERIDYONTPAASE-UHFFFAOYSA-N -1 0 316.383 -0.651 20 0 DBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)c1ccsc1 ZINC000766450540 804315570 /nfs/dbraw/zinc/31/55/70/804315570.db2.gz IDPZCDRTBFBADV-UHFFFAOYSA-N -1 0 324.405 -0.412 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccsc2)c(=O)[nH]c1=O ZINC000766456710 804316285 /nfs/dbraw/zinc/31/62/85/804316285.db2.gz NYWBKKYEIUWDFX-UHFFFAOYSA-N -1 0 315.332 -0.334 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)[N-]OCC(F)(F)F ZINC000766764274 804318392 /nfs/dbraw/zinc/31/83/92/804318392.db2.gz XIHFWSACIKKKIK-UHFFFAOYSA-N -1 0 308.278 -0.448 20 0 DBADRM Cn1cc(/C=C\C(=O)N(CCC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000766912863 804320476 /nfs/dbraw/zinc/32/04/76/804320476.db2.gz CQXMCRWSQYJNLC-UTCJRWHESA-N -1 0 321.333 -0.437 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2S1 ZINC000766921407 804321741 /nfs/dbraw/zinc/32/17/41/804321741.db2.gz GJLAAHSLTNQFJG-VIFPVBQESA-N -1 0 300.361 -0.365 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(-n2cccn2)cc1 ZINC000766918259 804321808 /nfs/dbraw/zinc/32/18/08/804321808.db2.gz WLEMHYHUQHEKOM-UHFFFAOYSA-N -1 0 308.319 -0.583 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CNC(=O)CC1CCCCC1 ZINC000766917441 804321927 /nfs/dbraw/zinc/32/19/27/804321927.db2.gz QSOZZSNWJXPQIF-UHFFFAOYSA-N -1 0 319.383 -0.996 20 0 DBADRM CCCn1nc(C)c(C(=O)[N-]S(=O)(=O)CC(N)=O)c1C ZINC000766921699 804322750 /nfs/dbraw/zinc/32/27/50/804322750.db2.gz AXBMVAFSRQXJDI-UHFFFAOYSA-N -1 0 302.356 -0.545 20 0 DBADRM CC[C@H](C)Oc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)ccn1 ZINC000766923090 804322830 /nfs/dbraw/zinc/32/28/30/804322830.db2.gz PMDNQXHWIMMTOJ-QMMMGPOBSA-N -1 0 315.351 -0.196 20 0 DBADRM Cc1ccc2c(CC(=O)[N-]S(=O)(=O)CC(N)=O)c[nH]c2c1 ZINC000766923029 804322875 /nfs/dbraw/zinc/32/28/75/804322875.db2.gz PDRGIZHBNXRYLJ-UHFFFAOYSA-N -1 0 309.347 -0.050 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000766923743 804322884 /nfs/dbraw/zinc/32/28/84/804322884.db2.gz QVCHLCMRQIHAOY-NSHDSACASA-N -1 0 312.347 -0.265 20 0 DBADRM COc1ccc(C)cc1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766923861 804322964 /nfs/dbraw/zinc/32/29/64/804322964.db2.gz RGESEXBOSWCWAP-UHFFFAOYSA-N -1 0 300.336 -0.523 20 0 DBADRM Cc1nn(C)c2sc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc12 ZINC000766928106 804323056 /nfs/dbraw/zinc/32/30/56/804323056.db2.gz QKWOETZFAAPUBE-UHFFFAOYSA-N -1 0 316.364 -0.512 20 0 DBADRM CC(C)(C)c1nc(C(=O)[N-]S(=O)(=O)CC(N)=O)cs1 ZINC000766925570 804323460 /nfs/dbraw/zinc/32/34/60/804323460.db2.gz JQGISDJBXILJGM-UHFFFAOYSA-N -1 0 305.381 -0.015 20 0 DBADRM COc1ccc(Cl)cc1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766925637 804323518 /nfs/dbraw/zinc/32/35/18/804323518.db2.gz KQJKFDCWYFYTAJ-UHFFFAOYSA-N -1 0 320.754 -0.178 20 0 DBADRM C[C@H](NC(=O)C1CCCCC1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766929493 804323986 /nfs/dbraw/zinc/32/39/86/804323986.db2.gz ZZMWTTROPWIECX-QMMMGPOBSA-N -1 0 319.383 -0.997 20 0 DBADRM Cc1cc(Cl)ccc1OCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766930134 804324029 /nfs/dbraw/zinc/32/40/29/804324029.db2.gz WXIALCWQGLAMGW-UHFFFAOYSA-N -1 0 320.754 -0.041 20 0 DBADRM CCOCCC1(C(=O)[N-]S(=O)(=O)CC(N)=O)CCCC1 ZINC000766928353 804324579 /nfs/dbraw/zinc/32/45/79/804324579.db2.gz SWYDLWHMQJBHHQ-UHFFFAOYSA-N -1 0 306.384 -0.095 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000766974562 804325410 /nfs/dbraw/zinc/32/54/10/804325410.db2.gz MCAMNZNCRBGTEP-SNVBAGLBSA-N -1 0 318.395 -0.130 20 0 DBADRM O=C(NCCNC(=O)C1CCCCC1)c1n[nH]c(=O)[n-]c1=O ZINC001282892256 804330035 /nfs/dbraw/zinc/33/00/35/804330035.db2.gz IYCVSZIIOIAVQD-UHFFFAOYSA-N -1 0 309.326 -0.291 20 0 DBADRM CN1CCc2ccc(S(=O)(=O)[N-]N3CC(=O)N(C)C3=O)cc21 ZINC000767842294 804335107 /nfs/dbraw/zinc/33/51/07/804335107.db2.gz HFRUBFFRIWHPJT-UHFFFAOYSA-N -1 0 324.362 -0.234 20 0 DBADRM CCc1ocnc1C(=O)[N-]S(=O)(=O)CCOCCOC ZINC000768212339 804337528 /nfs/dbraw/zinc/33/75/28/804337528.db2.gz MLMUTSKLJDZSMK-UHFFFAOYSA-N -1 0 306.340 -0.040 20 0 DBADRM COc1ccc(NC(=O)c2c([O-])n(C)c(=O)n(C)c2=O)cn1 ZINC000768125931 804337924 /nfs/dbraw/zinc/33/79/24/804337924.db2.gz IGAAZBQBTLUBIF-UHFFFAOYSA-N -1 0 306.278 -0.305 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)CC[C@@H]1CCOC1 ZINC000768213439 804338020 /nfs/dbraw/zinc/33/80/20/804338020.db2.gz RWOXOCWTFWFWEH-LLVKDONJSA-N -1 0 309.384 -0.088 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cncc(F)c1 ZINC000768211177 804338048 /nfs/dbraw/zinc/33/80/48/804338048.db2.gz GXDXKMOGXSOHAI-UHFFFAOYSA-N -1 0 306.315 -0.057 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H](C)c1cnn(C)c1 ZINC000768207620 804338084 /nfs/dbraw/zinc/33/80/84/804338084.db2.gz AWFGERORKCQWJR-SNVBAGLBSA-N -1 0 319.383 -0.367 20 0 DBADRM Cc1cc(F)ccc1-n1cc(C(=O)[N-]N2CC(=O)NC2=O)nn1 ZINC000768269039 804338586 /nfs/dbraw/zinc/33/85/86/804338586.db2.gz DDYCWEVJCRJGEQ-UHFFFAOYSA-N -1 0 318.268 -0.089 20 0 DBADRM O=C(CC(F)(F)F)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001282935217 804347094 /nfs/dbraw/zinc/34/70/94/804347094.db2.gz GMSFKZDOXGUMKO-UHFFFAOYSA-N -1 0 309.204 -0.919 20 0 DBADRM CCC[C@H](C)CC(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001282941397 804348604 /nfs/dbraw/zinc/34/86/04/804348604.db2.gz VMOOEMBXQLCVFQ-QMMMGPOBSA-N -1 0 311.342 -0.045 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000769355285 804348611 /nfs/dbraw/zinc/34/86/11/804348611.db2.gz OCXVJFYXOJWDSG-GXSJLCMTSA-N -1 0 307.306 -0.194 20 0 DBADRM O=C([C@@H]1CCOC1)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001035662946 815011520 /nfs/dbraw/zinc/01/15/20/815011520.db2.gz GJFPXDXBDUTUDX-LLVKDONJSA-N -1 0 321.381 -0.029 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000770125190 804359219 /nfs/dbraw/zinc/35/92/19/804359219.db2.gz RCSMYTZJRXGUQA-UHFFFAOYSA-N -1 0 313.339 -0.250 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCNC(=O)C(C)(C)C ZINC000770361712 804362458 /nfs/dbraw/zinc/36/24/58/804362458.db2.gz UKVGCLWOPYVTPZ-UHFFFAOYSA-N -1 0 322.383 -0.452 20 0 DBADRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)CC(=O)OCC ZINC000770360968 804362597 /nfs/dbraw/zinc/36/25/97/804362597.db2.gz POEJWWHVMOIIOZ-UHFFFAOYSA-N -1 0 322.383 -0.308 20 0 DBADRM CC[C@@H](SC)C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001282974423 804364322 /nfs/dbraw/zinc/36/43/22/804364322.db2.gz KQAQZWDQUBERDU-ZCFIWIBFSA-N -1 0 315.355 -0.730 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001282975294 804365182 /nfs/dbraw/zinc/36/51/82/804365182.db2.gz QZMIWRUOTJNLBO-MRVPVSSYSA-N -1 0 311.342 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)Cn2ccnc2C)c1[O-] ZINC001282975520 804365228 /nfs/dbraw/zinc/36/52/28/804365228.db2.gz RMDQLROQCXMQAT-UHFFFAOYSA-N -1 0 306.326 -0.525 20 0 DBADRM COc1nc(C(=O)OCC(=O)N2CCO[C@H](C)C2)cc(=O)[n-]1 ZINC000770515430 804365334 /nfs/dbraw/zinc/36/53/34/804365334.db2.gz AWVMSQSSVPJFPW-MRVPVSSYSA-N -1 0 311.294 -0.405 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1 ZINC000770601679 804366946 /nfs/dbraw/zinc/36/69/46/804366946.db2.gz AXFZZVPMUKWCMH-UHFFFAOYSA-N -1 0 324.366 -0.021 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(C)(=O)=O)cn1 ZINC000770830452 804370990 /nfs/dbraw/zinc/37/09/90/804370990.db2.gz AYGADPQEZIVJIK-UHFFFAOYSA-N -1 0 307.353 -0.979 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)C(C)C ZINC000770835840 804371379 /nfs/dbraw/zinc/37/13/79/804371379.db2.gz STFLDTFLILGMGH-JTQLQIEISA-N -1 0 317.367 -0.400 20 0 DBADRM Cc1cc2c(cc1C)[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CO2 ZINC000770915413 804372014 /nfs/dbraw/zinc/37/20/14/804372014.db2.gz XUBOVHXVRUUHSG-SNVBAGLBSA-N -1 0 312.347 -0.289 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1 ZINC000771523952 804376103 /nfs/dbraw/zinc/37/61/03/804376103.db2.gz KFJVMVXFGGALON-JGVFFNPUSA-N -1 0 303.340 -0.323 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)n(C)n1 ZINC000771521582 804376292 /nfs/dbraw/zinc/37/62/92/804376292.db2.gz ZXZSDPPSMRNYDA-IUCAKERBSA-N -1 0 317.367 -0.014 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)NCCn1ncnn1 ZINC000771582767 804376879 /nfs/dbraw/zinc/37/68/79/804376879.db2.gz NKJSGVSDUVWUDT-UHFFFAOYSA-N -1 0 303.398 -0.278 20 0 DBADRM CNC(=O)CN1CC2(C1)CCN(C(=O)c1n[nH]c(C)c1[O-])CC2 ZINC001035686837 815013672 /nfs/dbraw/zinc/01/36/72/815013672.db2.gz RSOKTLRTEOGDRQ-UHFFFAOYSA-N -1 0 321.381 -0.292 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]OC2CCOCC2)C1=O ZINC000772711467 804390606 /nfs/dbraw/zinc/39/06/06/804390606.db2.gz NTTBXJSBNOXPFH-CQSZACIVSA-N -1 0 311.338 -0.066 20 0 DBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]OCC(N)=O ZINC000772940764 804394153 /nfs/dbraw/zinc/39/41/53/804394153.db2.gz UJSXMDWSBHUCKV-SECBINFHSA-N -1 0 307.372 -0.886 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)C1C=CC=CC=C1 ZINC001283046300 804394463 /nfs/dbraw/zinc/39/44/63/804394463.db2.gz NWGDDOZSFATKEZ-UHFFFAOYSA-N -1 0 319.321 -0.780 20 0 DBADRM NC(=O)CO[N-]C(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC000772939183 804394678 /nfs/dbraw/zinc/39/46/78/804394678.db2.gz NVUMEVLOQWKJTL-UHFFFAOYSA-N -1 0 313.697 -0.402 20 0 DBADRM O=C(CN1CCCCC1=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000773157240 804396972 /nfs/dbraw/zinc/39/69/72/804396972.db2.gz AVUOGNGVXDTQJV-VIFPVBQESA-N -1 0 310.383 -0.171 20 0 DBADRM COCCOCCC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000773163146 804397181 /nfs/dbraw/zinc/39/71/81/804397181.db2.gz SZCBAUILMBZIFV-VIFPVBQESA-N -1 0 301.372 -0.131 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000773617514 804404262 /nfs/dbraw/zinc/40/42/62/804404262.db2.gz FWGVQRRFQQENDU-UHFFFAOYSA-N -1 0 320.309 -0.315 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)c1cnn(C)c1)[C@@H]1CCSC1 ZINC000773957825 804410968 /nfs/dbraw/zinc/41/09/68/804410968.db2.gz ASBAMXWAMPPEFN-SECBINFHSA-N -1 0 318.424 -0.338 20 0 DBADRM COCc1nc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)co1 ZINC000773961405 804411330 /nfs/dbraw/zinc/41/13/30/804411330.db2.gz QMMFUIDGFRVRRA-UHFFFAOYSA-N -1 0 300.296 -0.327 20 0 DBADRM COc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)c1 ZINC000774032626 804412115 /nfs/dbraw/zinc/41/21/15/804412115.db2.gz ZFIZSWFMVBJCCJ-LLVKDONJSA-N -1 0 312.347 -0.022 20 0 DBADRM COc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C1=O ZINC000774105456 804415033 /nfs/dbraw/zinc/41/50/33/804415033.db2.gz UAWYCYDYMNVGEU-VIFPVBQESA-N -1 0 312.347 -0.022 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)Cn1ccc(C)cc1=O ZINC000774097876 804415353 /nfs/dbraw/zinc/41/53/53/804415353.db2.gz UCUHIRJVIRUIQQ-JTQLQIEISA-N -1 0 302.352 -0.362 20 0 DBADRM O=C(NCCNC(=O)[C@H]1CC[C@H](F)C1)c1n[nH]c(=O)[n-]c1=O ZINC001283127968 804423575 /nfs/dbraw/zinc/42/35/75/804423575.db2.gz USZOZOJKYDCXAL-BQBZGAKWSA-N -1 0 313.289 -0.733 20 0 DBADRM O=C(CN1C(=O)COc2ccccc21)OCc1n[nH]c(=O)[n-]1 ZINC000774901469 804432627 /nfs/dbraw/zinc/43/26/27/804432627.db2.gz KWUVXYOCJGSUHC-UHFFFAOYSA-N -1 0 304.262 -0.021 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCc2n[nH]c(=O)[n-]2)C1=O ZINC000774887820 804432819 /nfs/dbraw/zinc/43/28/19/804432819.db2.gz HLOVTBAVBBNIHH-LBPRGKRZSA-N -1 0 309.282 -0.726 20 0 DBADRM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1n[nH]c(=O)[n-]1 ZINC000774888432 804432849 /nfs/dbraw/zinc/43/28/49/804432849.db2.gz XDQNHXDPLVDXCW-YUMQZZPRSA-N -1 0 308.294 -0.271 20 0 DBADRM O=C(CN1C(=O)c2ccccc2C1=O)OCc1n[nH]c(=O)[n-]1 ZINC000774882228 804432889 /nfs/dbraw/zinc/43/28/89/804432889.db2.gz HGYMYIBPOHZDNT-UHFFFAOYSA-N -1 0 302.246 -0.150 20 0 DBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)OCc1n[nH]c(=O)[n-]1 ZINC000774881070 804433027 /nfs/dbraw/zinc/43/30/27/804433027.db2.gz QDYTULJKJZHRJW-UHFFFAOYSA-N -1 0 323.309 -0.192 20 0 DBADRM NS(=O)(=O)c1ccsc1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774911676 804434320 /nfs/dbraw/zinc/43/43/20/804434320.db2.gz GQSVCIKJWUIPCW-UHFFFAOYSA-N -1 0 304.309 -0.424 20 0 DBADRM O=C(OCc1n[nH]c(=O)[n-]1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000774919463 804434389 /nfs/dbraw/zinc/43/43/89/804434389.db2.gz QIOHDLHJRSYWRF-RXMQYKEDSA-N -1 0 308.216 -0.036 20 0 DBADRM O=C(N[C@H](CO)C(=O)OCc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000774935734 804434458 /nfs/dbraw/zinc/43/44/58/804434458.db2.gz RGRMITSOUHSTCJ-SECBINFHSA-N -1 0 306.278 -0.656 20 0 DBADRM Cc1cc(S(N)(=O)=O)ccc1CNC(=O)c1cc(=O)[nH][n-]1 ZINC000774962448 804435570 /nfs/dbraw/zinc/43/55/70/804435570.db2.gz MCLYCHSMNLRCKQ-UHFFFAOYSA-N -1 0 310.335 -0.865 20 0 DBADRM CC(C)[C@H](C(=O)OCc1n[nH]c(=O)[n-]1)N1CCCS1(=O)=O ZINC000774971880 804435807 /nfs/dbraw/zinc/43/58/07/804435807.db2.gz OQORZJBJDMEKHP-SECBINFHSA-N -1 0 318.355 -0.386 20 0 DBADRM Cc1cc(CNC(=O)c2cc(=O)[nH][n-]2)ccc1S(N)(=O)=O ZINC000775085824 804438805 /nfs/dbraw/zinc/43/88/05/804438805.db2.gz OYGXDTWKHNLHEP-UHFFFAOYSA-N -1 0 310.335 -0.865 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)N2CCOCC2)CC1 ZINC000775249538 804439740 /nfs/dbraw/zinc/43/97/40/804439740.db2.gz ZSFQZFSLIUSAEB-UHFFFAOYSA-N -1 0 306.340 -0.977 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC000775275961 804439937 /nfs/dbraw/zinc/43/99/37/804439937.db2.gz PDMJUEGCQIIRSK-SECBINFHSA-N -1 0 305.352 -0.188 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000775310656 804439945 /nfs/dbraw/zinc/43/99/45/804439945.db2.gz OSLBMHIKKLWEMD-ZETCQYMHSA-N -1 0 314.319 -0.255 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCNC(=O)[C@@H]1CC=CCC1 ZINC001283179244 804441171 /nfs/dbraw/zinc/44/11/71/804441171.db2.gz IRCNIDOJRIARQF-SNVBAGLBSA-N -1 0 323.353 -0.332 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(=O)[N-]OC2CCCC2)cn1 ZINC000775598618 804444772 /nfs/dbraw/zinc/44/47/72/804444772.db2.gz NSGIYHFZXJIJEG-UHFFFAOYSA-N -1 0 302.356 -0.311 20 0 DBADRM COc1ncc(C=CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cn1 ZINC000775845227 804446773 /nfs/dbraw/zinc/44/67/73/804446773.db2.gz NYQCHOODQOUMMC-VMZHVLLKSA-N -1 0 317.309 -0.388 20 0 DBADRM Cn1ncc(C(=O)[N-]N2CC(=O)N(C)C2=O)c1C(F)(F)F ZINC000776240210 804451843 /nfs/dbraw/zinc/45/18/43/804451843.db2.gz BVIYMYWQBAZJLQ-UHFFFAOYSA-N -1 0 305.216 -0.022 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1C ZINC000776307901 804454540 /nfs/dbraw/zinc/45/45/40/804454540.db2.gz YCQJMJFUOYKNII-CBAPKCEASA-N -1 0 317.367 -0.014 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000776502703 804456666 /nfs/dbraw/zinc/45/66/66/804456666.db2.gz HRIOJBFYWNQUKC-XPUUQOCRSA-N -1 0 323.758 -0.159 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@H]1CCCO1)C1CCOCC1 ZINC000776524384 804456838 /nfs/dbraw/zinc/45/68/38/804456838.db2.gz HHHMTPFFIPHIHS-GHMZBOCLSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@@H]1CCOC1)C1CCOCC1 ZINC000776523373 804457062 /nfs/dbraw/zinc/45/70/62/804457062.db2.gz CHCFQZWMUQGBEH-MWLCHTKSSA-N -1 0 307.368 -0.178 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCOCC2)cn1C ZINC000776526530 804457094 /nfs/dbraw/zinc/45/70/94/804457094.db2.gz PAOAYSLHSBBNOX-LLVKDONJSA-N -1 0 317.367 -0.113 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@@H]1CCCO1)C1CCOCC1 ZINC000776524393 804457208 /nfs/dbraw/zinc/45/72/08/804457208.db2.gz HHHMTPFFIPHIHS-WDEREUQCSA-N -1 0 307.368 -0.035 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000776524823 804457226 /nfs/dbraw/zinc/45/72/26/804457226.db2.gz JGUGNAZGSKUXKH-SNVBAGLBSA-N -1 0 310.372 -0.721 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1Cl ZINC000776502547 804457265 /nfs/dbraw/zinc/45/72/65/804457265.db2.gz GOLDIONTQQJXNU-RNFRBKRXSA-N -1 0 323.758 -0.159 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCOCC2)cn1 ZINC000776525437 804457363 /nfs/dbraw/zinc/45/73/63/804457363.db2.gz LFIOHTPTRMWBTJ-SNVBAGLBSA-N -1 0 303.340 -0.422 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000776564625 804458095 /nfs/dbraw/zinc/45/80/95/804458095.db2.gz OIEHDUZTEZHYML-QMMMGPOBSA-N -1 0 319.412 -0.359 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCSC[C@@H]2c2nnn[n-]2)CC1=O ZINC000776562321 804458136 /nfs/dbraw/zinc/45/81/36/804458136.db2.gz BVNFZLLZUKTAAR-RKDXNWHRSA-N -1 0 310.383 -0.315 20 0 DBADRM CC(C)(CNS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776549366 804458818 /nfs/dbraw/zinc/45/88/18/804458818.db2.gz PLAIMIWJODTPBF-UHFFFAOYSA-N -1 0 322.383 -0.230 20 0 DBADRM CCC1CCC2(CC1)NC(=O)N(CC(=O)[N-]OCCO)C2=O ZINC000776585750 804459385 /nfs/dbraw/zinc/45/93/85/804459385.db2.gz WXNAKQNAFKNYQQ-UHFFFAOYSA-N -1 0 313.354 -0.083 20 0 DBADRM CCC(=O)C[C@@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC000776589212 804459881 /nfs/dbraw/zinc/45/98/81/804459881.db2.gz UUDYAEKOIMKKNK-LLVKDONJSA-N -1 0 322.383 -0.246 20 0 DBADRM O=C([O-])[C@@H](CC1CCOCC1)NS(=O)(=O)c1c[nH]cn1 ZINC000776600093 804460615 /nfs/dbraw/zinc/46/06/15/804460615.db2.gz FMSFIPMWAKIEGZ-SECBINFHSA-N -1 0 303.340 -0.042 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N(CCO)CCC(=O)[O-] ZINC000776679540 804461797 /nfs/dbraw/zinc/46/17/97/804461797.db2.gz WEVOENNSTVDTIJ-UHFFFAOYSA-N -1 0 311.747 -0.469 20 0 DBADRM CCCCC[C@H](NC(=O)CNC(=O)CNC(C)=O)C(=O)[O-] ZINC000776664147 804462129 /nfs/dbraw/zinc/46/21/29/804462129.db2.gz MFOBEVKNUFDLEP-JTQLQIEISA-N -1 0 301.343 -0.612 20 0 DBADRM CC(=O)c1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)c(C)nc1C ZINC000777362260 804469422 /nfs/dbraw/zinc/46/94/22/804469422.db2.gz IPAXAOCMLRTYAN-UHFFFAOYSA-N -1 0 313.335 -0.554 20 0 DBADRM CC(C)(C)OC(=O)N1CC(OCC(=O)[N-]S(C)(=O)=O)C1 ZINC000777284468 804469460 /nfs/dbraw/zinc/46/94/60/804469460.db2.gz FQMAJGKTBYHFMS-UHFFFAOYSA-N -1 0 308.356 -0.302 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000777949739 804477270 /nfs/dbraw/zinc/47/72/70/804477270.db2.gz JFCSVNYZTFKLJA-GMSGAONNSA-N -1 0 315.351 -0.013 20 0 DBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777908776 804477876 /nfs/dbraw/zinc/47/78/76/804477876.db2.gz MXKOJWUVERDGBR-SNVBAGLBSA-N -1 0 303.340 -0.593 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001283308818 804481932 /nfs/dbraw/zinc/48/19/32/804481932.db2.gz KPVKHGXVIRXGDQ-DTWKUNHWSA-N -1 0 311.342 -0.642 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H](CO)c1ccccc1 ZINC000778407885 804484318 /nfs/dbraw/zinc/48/43/18/804484318.db2.gz UQJQYYJFRSBISZ-GFCCVEGCSA-N -1 0 313.317 -0.079 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)N(C)CCOC)cn1 ZINC000778670780 804486500 /nfs/dbraw/zinc/48/65/00/804486500.db2.gz LRBYZZBRFHULCV-UHFFFAOYSA-N -1 0 318.355 -0.572 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)[C@H](C)COC)cn1 ZINC000778642379 804486623 /nfs/dbraw/zinc/48/66/23/804486623.db2.gz WXKQVSKSMGAPRS-MRVPVSSYSA-N -1 0 303.340 -0.030 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)COC(C)C)c(C)nn1C ZINC000778850016 804489896 /nfs/dbraw/zinc/48/98/96/804489896.db2.gz NPSCBGDYDLQANY-UHFFFAOYSA-N -1 0 305.356 -0.033 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H](C(N)=O)C1 ZINC000779303959 804496409 /nfs/dbraw/zinc/49/64/09/804496409.db2.gz GSADPGFNVGLSAH-WCBMZHEXSA-N -1 0 318.337 -0.816 20 0 DBADRM C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)C(=O)[O-] ZINC000780351905 804513291 /nfs/dbraw/zinc/51/32/91/804513291.db2.gz LYAVJKCTWLQDOL-YFKPBYRVSA-N -1 0 307.353 -0.332 20 0 DBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)c2cccnc2)cn1 ZINC000780293664 804513505 /nfs/dbraw/zinc/51/35/05/804513505.db2.gz LCBZHCFOXRTHME-UHFFFAOYSA-N -1 0 322.302 -0.223 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)COC[C@@H]3CCCO3)C2)nn1 ZINC000780320327 804513867 /nfs/dbraw/zinc/51/38/67/804513867.db2.gz YVSFBACTCYONCR-JTQLQIEISA-N -1 0 310.310 -0.445 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000780444426 804515085 /nfs/dbraw/zinc/51/50/85/804515085.db2.gz BHMUJCLNRLUAHG-GMTAPVOTSA-N -1 0 307.368 -0.480 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NCCN1CCOCC1(C)C ZINC000780543760 804516304 /nfs/dbraw/zinc/51/63/04/804516304.db2.gz UODZXRIATYZQLG-UHFFFAOYSA-N -1 0 317.386 -0.160 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)NCCOC[C@@H]1CCOC1 ZINC000780567224 804516466 /nfs/dbraw/zinc/51/64/66/804516466.db2.gz BYDIKQJHPWVGAX-GHMZBOCLSA-N -1 0 302.327 -0.466 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)o1 ZINC000780620918 804517536 /nfs/dbraw/zinc/51/75/36/804517536.db2.gz QTQPNUDUVOIINS-SSDOTTSWSA-N -1 0 302.308 -0.383 20 0 DBADRM CC(C)(NC(=O)NCCS(=O)(=O)NCC1CCC1)C(=O)[O-] ZINC000780571311 804517815 /nfs/dbraw/zinc/51/78/15/804517815.db2.gz MUHULCUIOFRZPO-UHFFFAOYSA-N -1 0 321.399 -0.132 20 0 DBADRM O=C(CN1CCSC1=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780603430 804517922 /nfs/dbraw/zinc/51/79/22/804517922.db2.gz DZEBHSZFKYQOIV-MRVPVSSYSA-N -1 0 308.381 -0.220 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)nn1 ZINC000780623145 804517930 /nfs/dbraw/zinc/51/79/30/804517930.db2.gz FLDYIYKMLNXUHL-VIFPVBQESA-N -1 0 302.356 -0.073 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NCCOC[C@@H]1CCOC1 ZINC000780571749 804517972 /nfs/dbraw/zinc/51/79/72/804517972.db2.gz OQZUXBBHWYWVET-LLVKDONJSA-N -1 0 304.343 -0.218 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1)C(=O)C1CC1 ZINC000780619487 804518012 /nfs/dbraw/zinc/51/80/12/804518012.db2.gz JXBFOHJTZLSXQD-SNVBAGLBSA-N -1 0 304.368 -0.520 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCCNC(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC001283511968 804518017 /nfs/dbraw/zinc/51/80/17/804518017.db2.gz HHUWQEQDTUXUTH-SECBINFHSA-N -1 0 323.353 -0.719 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCCCC2)on1 ZINC000781446512 804528567 /nfs/dbraw/zinc/52/85/67/804528567.db2.gz ASPZBZKVAZJBSY-UHFFFAOYSA-N -1 0 317.323 -0.078 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccccn2)on1 ZINC000781458803 804528812 /nfs/dbraw/zinc/52/88/12/804528812.db2.gz UWPIMEIRDWAVMH-UHFFFAOYSA-N -1 0 311.275 -0.025 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)CCC1 ZINC000781512110 804529917 /nfs/dbraw/zinc/52/99/17/804529917.db2.gz HINJLAWKQPVWQJ-SECBINFHSA-N -1 0 304.368 -0.472 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1OCCc2ccccc21 ZINC000781736844 804534416 /nfs/dbraw/zinc/53/44/16/804534416.db2.gz BXMXHUPLDBNFAM-LBPRGKRZSA-N -1 0 322.346 -0.066 20 0 DBADRM Cn1nnc2cc(C(=O)[N-]S(=O)(=O)c3cnnn3C)ccc21 ZINC000781738813 804534507 /nfs/dbraw/zinc/53/45/07/804534507.db2.gz UDFRJYCUCMIULU-UHFFFAOYSA-N -1 0 321.322 -0.785 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)COCc1ccccc1 ZINC000781737312 804534639 /nfs/dbraw/zinc/53/46/39/804534639.db2.gz GBURZTXEZQKPGI-UHFFFAOYSA-N -1 0 310.335 -0.163 20 0 DBADRM CCc1nc(CC(=O)[N-]S(=O)(=O)c2cnnn2C)cs1 ZINC000781739417 804534690 /nfs/dbraw/zinc/53/46/90/804534690.db2.gz DEWUOULGUZQAIA-UHFFFAOYSA-N -1 0 315.380 -0.118 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)COC2 ZINC000781731730 804534779 /nfs/dbraw/zinc/53/47/79/804534779.db2.gz IBJKOPPJZXBCJV-UHFFFAOYSA-N -1 0 308.319 -0.036 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cnn(C(C)(C)C)c1 ZINC000781741813 804535322 /nfs/dbraw/zinc/53/53/22/804535322.db2.gz NLRNGRCCSJQAAM-UHFFFAOYSA-N -1 0 312.355 -0.115 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CC[C@@H]1CCCCO1 ZINC000781741832 804535675 /nfs/dbraw/zinc/53/56/75/804535675.db2.gz IPWVDHFDMDTNFQ-VIFPVBQESA-N -1 0 302.356 -0.031 20 0 DBADRM COc1cccc(CC(=O)[N-]S(=O)(=O)c2cnnn2C)c1 ZINC000781741580 804535958 /nfs/dbraw/zinc/53/59/58/804535958.db2.gz LEEIWLPFJNMEFY-UHFFFAOYSA-N -1 0 310.335 -0.129 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CC[C@H]1CCCCO1 ZINC000781741831 804535988 /nfs/dbraw/zinc/53/59/88/804535988.db2.gz IPWVDHFDMDTNFQ-SECBINFHSA-N -1 0 302.356 -0.031 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@H]1CC12CC2 ZINC001283604927 804537125 /nfs/dbraw/zinc/53/71/25/804537125.db2.gz YDHBPYOXFMEJKJ-MRVPVSSYSA-N -1 0 321.337 -0.339 20 0 DBADRM CCCCC(=O)N(C)CCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001283611277 804539147 /nfs/dbraw/zinc/53/91/47/804539147.db2.gz YLJOFAUBWXGIBB-UHFFFAOYSA-N -1 0 313.358 -0.156 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000782210968 804542228 /nfs/dbraw/zinc/54/22/28/804542228.db2.gz DAKNODOMMXGVPD-QMMMGPOBSA-N -1 0 315.351 -0.426 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C2(C)COC2)CC1 ZINC000782589987 804550853 /nfs/dbraw/zinc/55/08/53/804550853.db2.gz YHMHVFMDUYDHPD-UHFFFAOYSA-N -1 0 320.367 -0.731 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cn(CCOC)nc1C ZINC000782603768 804551565 /nfs/dbraw/zinc/55/15/65/804551565.db2.gz FRHDPMUCDKUIDF-UHFFFAOYSA-N -1 0 304.372 -0.236 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)c1 ZINC000782704756 804552600 /nfs/dbraw/zinc/55/26/00/804552600.db2.gz XVKPJBPDVMRMOS-JTQLQIEISA-N -1 0 317.367 -0.241 20 0 DBADRM Cc1c(C(=O)OCCOCC[N-]C(=O)C(F)(F)F)nnn1C ZINC000782647123 804552833 /nfs/dbraw/zinc/55/28/33/804552833.db2.gz XHZBQHLWIWQZJL-UHFFFAOYSA-N -1 0 324.259 -0.025 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1cnc2n[nH]nc2c1 ZINC000783126950 804562048 /nfs/dbraw/zinc/56/20/48/804562048.db2.gz ZGYYYAPVDWASGO-QMMMGPOBSA-N -1 0 311.323 -0.409 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnccn1)c1cnc2n[nH]nc2c1 ZINC000783108048 804562339 /nfs/dbraw/zinc/56/23/39/804562339.db2.gz SSPSDJOVTWHBDA-UHFFFAOYSA-N -1 0 305.279 -0.738 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000783378812 804565385 /nfs/dbraw/zinc/56/53/85/804565385.db2.gz NEMKMLDYDJXFNS-QWRGUYRKSA-N -1 0 306.384 -0.228 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(C)=O ZINC000783405448 804565615 /nfs/dbraw/zinc/56/56/15/804565615.db2.gz UQIOZULGPJYTLM-NSHDSACASA-N -1 0 323.415 -0.524 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2nonc2C)cn1 ZINC000783597815 804566838 /nfs/dbraw/zinc/56/68/38/804566838.db2.gz RWTIRERXJNXRML-UHFFFAOYSA-N -1 0 301.284 -0.452 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)[N-]N2CCCNC2=O)nn1 ZINC000783604862 804568776 /nfs/dbraw/zinc/56/87/76/804568776.db2.gz CVYBKPNGTWXIAJ-UHFFFAOYSA-N -1 0 308.342 -0.047 20 0 DBADRM CC(C)[C@H](F)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000784484061 804580585 /nfs/dbraw/zinc/58/05/85/804580585.db2.gz GVWCRNHXGYPKCP-VIFPVBQESA-N -1 0 305.331 -0.077 20 0 DBADRM C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)CO1 ZINC000784484739 804580431 /nfs/dbraw/zinc/58/04/31/804580431.db2.gz PSCBIEQIGUHXPK-YUMQZZPRSA-N -1 0 315.351 -0.646 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CO[C@H](C)C2)c(C)nn1C ZINC000784557566 804582839 /nfs/dbraw/zinc/58/28/39/804582839.db2.gz WSZCLKPZXNSXOD-APPZFPTMSA-N -1 0 317.367 -0.033 20 0 DBADRM C[C@H](CN1CCOCC1)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000784921347 804590828 /nfs/dbraw/zinc/59/08/28/804590828.db2.gz LMVBTNZCPOFRMJ-SNVBAGLBSA-N -1 0 321.337 -0.665 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000785385453 804597233 /nfs/dbraw/zinc/59/72/33/804597233.db2.gz WGOYXVZJOQYXSS-UHFFFAOYSA-N -1 0 321.211 -0.101 20 0 DBADRM COC(=O)c1cccc(NC(=O)C(=O)[N-]OCC(N)=O)c1C ZINC000785385628 804597524 /nfs/dbraw/zinc/59/75/24/804597524.db2.gz ZQERUAGILOAVKH-UHFFFAOYSA-N -1 0 309.278 -0.747 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccccc1OCC(F)F ZINC000785390290 804598283 /nfs/dbraw/zinc/59/82/83/804598283.db2.gz ROUAKUSYEMLWQJ-UHFFFAOYSA-N -1 0 317.248 -0.198 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccnn1C1CCCCC1 ZINC000785389538 804598377 /nfs/dbraw/zinc/59/83/77/804598377.db2.gz SMTYOLDFJCQTTK-UHFFFAOYSA-N -1 0 309.326 -0.140 20 0 DBADRM Cc1ccccc1-n1nccc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785390160 804598761 /nfs/dbraw/zinc/59/87/61/804598761.db2.gz ZOQHWWKNKLSLSX-UHFFFAOYSA-N -1 0 317.305 -0.348 20 0 DBADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCCS(=O)(=O)CC2CC2)O1 ZINC000785400783 804598771 /nfs/dbraw/zinc/59/87/71/804598771.db2.gz CJLQKEDOABYGKN-NXEZZACHSA-N -1 0 305.352 -0.440 20 0 DBADRM CCOc1ccc(OC)cc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785389346 804598775 /nfs/dbraw/zinc/59/87/75/804598775.db2.gz QNFZLXIJKVFTKV-UHFFFAOYSA-N -1 0 311.294 -0.435 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000785387314 804598869 /nfs/dbraw/zinc/59/88/69/804598869.db2.gz CPWWXEURMICJLV-UHFFFAOYSA-N -1 0 321.211 -0.101 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCc1ccc2c(c1)OCO2 ZINC000785501291 804599814 /nfs/dbraw/zinc/59/98/14/804599814.db2.gz LUHLVZHOOAXSLS-UHFFFAOYSA-N -1 0 310.306 -0.232 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCc2nc(C)ncc2C1 ZINC000786673308 804620053 /nfs/dbraw/zinc/62/00/53/804620053.db2.gz JSTPCBXTPJWRTQ-LBPRGKRZSA-N -1 0 322.365 -0.157 20 0 DBADRM CC/C=C(\C)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001284000288 804620395 /nfs/dbraw/zinc/62/03/95/804620395.db2.gz QVBYWMFMVBARMI-SGDMMICCSA-N -1 0 321.337 -0.030 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000786950499 804626254 /nfs/dbraw/zinc/62/62/54/804626254.db2.gz MLOOILIEIWMMAN-VHSXEESVSA-N -1 0 306.384 -0.239 20 0 DBADRM O=C([N-]OCCO)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000787295626 804632290 /nfs/dbraw/zinc/63/22/90/804632290.db2.gz WMUFKYYGVZFGRG-NSHDSACASA-N -1 0 322.317 -0.149 20 0 DBADRM O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)[N-]OCCO ZINC000787295836 804632448 /nfs/dbraw/zinc/63/24/48/804632448.db2.gz QOXBYYMRJHARJG-UHFFFAOYSA-N -1 0 317.301 -0.336 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1cccc(C(=O)NC)c1 ZINC000787863670 804643613 /nfs/dbraw/zinc/64/36/13/804643613.db2.gz MYPSOPYUYKOUGK-UHFFFAOYSA-N -1 0 323.349 -0.253 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)[N-]OC[C@@H]1CCOC1 ZINC000788118666 804650672 /nfs/dbraw/zinc/65/06/72/804650672.db2.gz PBJOPYSNAWMZNE-SNVBAGLBSA-N -1 0 310.372 -0.973 20 0 DBADRM COc1csc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000788177278 804652783 /nfs/dbraw/zinc/65/27/83/804652783.db2.gz RAYRTYMWQRXVTI-UHFFFAOYSA-N -1 0 306.365 -0.048 20 0 DBADRM CCCCCC(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001284200189 804655879 /nfs/dbraw/zinc/65/58/79/804655879.db2.gz UANHJUJDZWWUMZ-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCc1cn2c(n1)CCCC2 ZINC000788852754 804667753 /nfs/dbraw/zinc/66/77/53/804667753.db2.gz HISYMCSMPYQTGV-UHFFFAOYSA-N -1 0 310.354 -0.428 20 0 DBADRM O=C1NCCCN1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000788913976 804667921 /nfs/dbraw/zinc/66/79/21/804667921.db2.gz SSXKWBKZGJNSRZ-UHFFFAOYSA-N -1 0 323.338 -0.729 20 0 DBADRM COc1nc(C(=O)OC[C@H]2CCS(=O)(=O)C2)cc(=O)[n-]1 ZINC000788986272 804668719 /nfs/dbraw/zinc/66/87/19/804668719.db2.gz KMBYPLWWRPAZJV-SSDOTTSWSA-N -1 0 302.308 -0.218 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccnn1CC(F)F ZINC000789436786 804673948 /nfs/dbraw/zinc/67/39/48/804673948.db2.gz XWEKLTOAZRPTTC-ZETCQYMHSA-N -1 0 309.294 -0.003 20 0 DBADRM CC1(C)COc2c1cccc2C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000789472507 804674051 /nfs/dbraw/zinc/67/40/51/804674051.db2.gz MIPCRGULLRMRNR-UHFFFAOYSA-N -1 0 312.347 -0.099 20 0 DBADRM CCCn1ncnc1COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000789700327 804674813 /nfs/dbraw/zinc/67/48/13/804674813.db2.gz FWSGKBDRYAUDAV-UHFFFAOYSA-N -1 0 317.309 -0.184 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cccc2c1oc(=O)n2C ZINC000789825079 804677480 /nfs/dbraw/zinc/67/74/80/804677480.db2.gz BTTBTEFQDFIERX-UHFFFAOYSA-N -1 0 309.278 -0.236 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cccnc1OCCOC ZINC000789825139 804677774 /nfs/dbraw/zinc/67/77/74/804677774.db2.gz ILYXSBXEZLDCLB-UHFFFAOYSA-N -1 0 313.310 -0.261 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCc1nnnn1C ZINC000790013541 804682416 /nfs/dbraw/zinc/68/24/16/804682416.db2.gz ZVHUONQAZZCLCL-QMMMGPOBSA-N -1 0 322.291 -0.428 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1nnn(C)n1 ZINC000790070093 804683911 /nfs/dbraw/zinc/68/39/11/804683911.db2.gz UQGGXSBTEPPTOG-ZETCQYMHSA-N -1 0 308.264 -0.471 20 0 DBADRM COC[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H]1CCCO1 ZINC000790273544 804687645 /nfs/dbraw/zinc/68/76/45/804687645.db2.gz KIFVTDYFAPVNJT-WDEREUQCSA-N -1 0 321.337 -0.619 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)OCc2n[nH]c(=O)[n-]2)c(=O)c1 ZINC000790687512 804692551 /nfs/dbraw/zinc/69/25/51/804692551.db2.gz DHUPUWWTFXCXPD-ZDUSSCGKSA-N -1 0 308.294 -0.525 20 0 DBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)c1cccs1 ZINC000790764041 804695491 /nfs/dbraw/zinc/69/54/91/804695491.db2.gz FZBMYSXXWHFRHV-UHFFFAOYSA-N -1 0 304.349 -0.588 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1(=O)=O ZINC000791809717 804708703 /nfs/dbraw/zinc/70/87/03/804708703.db2.gz QBWZCFYWNCHIOZ-IUCAKERBSA-N -1 0 313.397 -0.565 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cn(C(C)(C)C)nn1 ZINC000791830461 804708718 /nfs/dbraw/zinc/70/87/18/804708718.db2.gz RIPTWMAIQOQZEC-UHFFFAOYSA-N -1 0 319.387 -0.414 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ncccc2F)c[nH]1 ZINC000791945593 804712209 /nfs/dbraw/zinc/71/22/09/804712209.db2.gz QZBUZYICSTVNGX-UHFFFAOYSA-N -1 0 312.282 -0.234 20 0 DBADRM C/C(=C/C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001284501739 804722755 /nfs/dbraw/zinc/72/27/55/804722755.db2.gz RSDHLFDWYIVYQQ-FPLPWBNLSA-N -1 0 321.337 -0.173 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1scnc1COC ZINC000793176920 804725669 /nfs/dbraw/zinc/72/56/69/804725669.db2.gz ZEHCSFZLZKDMFI-UHFFFAOYSA-N -1 0 323.396 -0.158 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2cnn(C)n2)c1 ZINC000793193473 804725831 /nfs/dbraw/zinc/72/58/31/804725831.db2.gz XYASXBRNINFSSC-UHFFFAOYSA-N -1 0 312.355 -0.214 20 0 DBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000793192969 804726208 /nfs/dbraw/zinc/72/62/08/804726208.db2.gz ZRTKXCHMXJJCFY-LLVKDONJSA-N -1 0 317.367 -0.438 20 0 DBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)n1 ZINC000793185366 804726355 /nfs/dbraw/zinc/72/63/55/804726355.db2.gz JVZAJHRVSOLFER-UHFFFAOYSA-N -1 0 310.291 -0.338 20 0 DBADRM COC(=O)[C@H]1[C@@H]2CN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C[C@@H]21 ZINC000793327603 804728304 /nfs/dbraw/zinc/72/83/04/804728304.db2.gz LCTDSGPEGYVRRM-MBTKJCJQSA-N -1 0 314.319 -0.248 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)COCc1ccnn1C ZINC000793280601 804728718 /nfs/dbraw/zinc/72/87/18/804728718.db2.gz ICGRBPIZFNMGFM-SECBINFHSA-N -1 0 305.356 -0.582 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)Cc1ccccn1)C(=O)C1CC1 ZINC000793315881 804728823 /nfs/dbraw/zinc/72/88/23/804728823.db2.gz DJTYYMUYLAXVGP-UHFFFAOYSA-N -1 0 311.363 -0.104 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000793311384 804729027 /nfs/dbraw/zinc/72/90/27/804729027.db2.gz FLZJQBNSGRQGNZ-GFCCVEGCSA-N -1 0 313.379 -0.252 20 0 DBADRM CC/C=C(\C)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001284557641 804736957 /nfs/dbraw/zinc/73/69/57/804736957.db2.gz KAXHARUYKWYHIO-VMPITWQZSA-N -1 0 309.326 -0.173 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000795779696 804763909 /nfs/dbraw/zinc/76/39/09/804763909.db2.gz OHBROCFUWAKBHK-CYBMUJFWSA-N -1 0 308.294 -0.525 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@H](OC)C2CC2)c(C)nn1C ZINC000796859267 804773495 /nfs/dbraw/zinc/77/34/95/804773495.db2.gz HEDCMKGXKSSKRK-SECBINFHSA-N -1 0 317.367 -0.033 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)C[C@@H]1CCCOC1 ZINC000796776160 804773982 /nfs/dbraw/zinc/77/39/82/804773982.db2.gz UDGREGOMFMGDMO-NSHDSACASA-N -1 0 309.384 -0.088 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C(F)(F)Cc1ccccc1 ZINC000796827248 804774179 /nfs/dbraw/zinc/77/41/79/804774179.db2.gz IKLVTQYKCCTEQT-UHFFFAOYSA-N -1 0 306.290 -0.204 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)[C@H]1CCCCS1(=O)=O ZINC000796867982 804774186 /nfs/dbraw/zinc/77/41/86/804774186.db2.gz FHIUSZHSINKXFT-SSDOTTSWSA-N -1 0 307.353 -0.818 20 0 DBADRM C[C@@H]1C(=O)CC[C@@H]1CC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000796730120 804774320 /nfs/dbraw/zinc/77/43/20/804774320.db2.gz BNJXLRJUVOOZEA-VHSXEESVSA-N -1 0 304.368 -0.315 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1cnccc1=O ZINC000796881364 804775069 /nfs/dbraw/zinc/77/50/69/804775069.db2.gz FMGJAGNOYQIRMB-SECBINFHSA-N -1 0 303.340 -0.886 20 0 DBADRM NC(=O)Cc1occc1C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000796871267 804775143 /nfs/dbraw/zinc/77/51/43/804775143.db2.gz HDGISSFBZINDRJ-UHFFFAOYSA-N -1 0 315.351 -0.232 20 0 DBADRM O=C(CCn1cnccc1=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000796929202 804775788 /nfs/dbraw/zinc/77/57/88/804775788.db2.gz YKIYRCGZRGIKLA-UHFFFAOYSA-N -1 0 313.257 -0.358 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796884459 804775879 /nfs/dbraw/zinc/77/58/79/804775879.db2.gz TUKUVLBMDYCNGO-VIFPVBQESA-N -1 0 302.356 -0.235 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnccn1)c1cnn2c1OCCC2 ZINC000796970373 804777050 /nfs/dbraw/zinc/77/70/50/804777050.db2.gz IRZCGKZLFABGOB-UHFFFAOYSA-N -1 0 309.307 -0.426 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2 ZINC000797170449 804777250 /nfs/dbraw/zinc/77/72/50/804777250.db2.gz QCRGVCQTRZBVQN-MRVPVSSYSA-N -1 0 303.340 -0.240 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)CCC(F)(F)F)C1=O ZINC000797257969 804778676 /nfs/dbraw/zinc/77/86/76/804778676.db2.gz AHCGWJWGOGBALF-LURJTMIESA-N -1 0 302.274 -0.137 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(C)=O ZINC000797283004 804778941 /nfs/dbraw/zinc/77/89/41/804778941.db2.gz RKWJAWFLQYZOPN-SCZZXKLOSA-N -1 0 322.383 -0.455 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000797278215 804779112 /nfs/dbraw/zinc/77/91/12/804779112.db2.gz BTZXWVFXPGKEIS-JGVFFNPUSA-N -1 0 315.351 -0.478 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000797249323 804779189 /nfs/dbraw/zinc/77/91/89/804779189.db2.gz VPBXGKIYPNQMRN-VIFPVBQESA-N -1 0 307.372 -0.822 20 0 DBADRM CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000797287100 804779669 /nfs/dbraw/zinc/77/96/69/804779669.db2.gz ZFRPCKYMPUBMOS-VIFPVBQESA-N -1 0 322.383 -0.358 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)CC(C)C ZINC000797285444 804779853 /nfs/dbraw/zinc/77/98/53/804779853.db2.gz NHUWNQOVVVCYNJ-VIFPVBQESA-N -1 0 322.383 -0.454 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccn(C(F)F)n1 ZINC000797291173 804779867 /nfs/dbraw/zinc/77/98/67/804779867.db2.gz KMAJYAQJMUEUGY-YFKPBYRVSA-N -1 0 311.266 -0.101 20 0 DBADRM CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000797287097 804779892 /nfs/dbraw/zinc/77/98/92/804779892.db2.gz ZFRPCKYMPUBMOS-SECBINFHSA-N -1 0 322.383 -0.358 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)COC1CCOCC1 ZINC000797301124 804780455 /nfs/dbraw/zinc/78/04/55/804780455.db2.gz XVDFJJZOIRGIBJ-QMMMGPOBSA-N -1 0 309.340 -0.811 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)COC1CCOCC1 ZINC000797301122 804780772 /nfs/dbraw/zinc/78/07/72/804780772.db2.gz XVDFJJZOIRGIBJ-MRVPVSSYSA-N -1 0 309.340 -0.811 20 0 DBADRM COC(=O)c1coc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)c1 ZINC000797300053 804780802 /nfs/dbraw/zinc/78/08/02/804780802.db2.gz BGJUZFWLSZFNLE-ZCFIWIBFSA-N -1 0 319.291 -0.313 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000797320235 804781313 /nfs/dbraw/zinc/78/13/13/804781313.db2.gz NXYIBXKVQNDQNG-KWQFWETISA-N -1 0 316.383 -0.224 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(OC)n1 ZINC000797306202 804781423 /nfs/dbraw/zinc/78/14/23/804781423.db2.gz OTWYJEICDLUZIG-SSDOTTSWSA-N -1 0 302.308 -0.289 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)NCCn1cnnc1CC ZINC000797729943 804783768 /nfs/dbraw/zinc/78/37/68/804783768.db2.gz UZSUSHIRSSILRJ-SNVBAGLBSA-N -1 0 313.358 -0.028 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccnc1OC ZINC000798199941 804787005 /nfs/dbraw/zinc/78/70/05/804787005.db2.gz IDUGLIUWHMGHAA-ZETCQYMHSA-N -1 0 302.308 -0.289 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000798200872 804787429 /nfs/dbraw/zinc/78/74/29/804787429.db2.gz PNHMXIGFLDGXHK-QMMMGPOBSA-N -1 0 308.356 -0.700 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000798201796 804787470 /nfs/dbraw/zinc/78/74/70/804787470.db2.gz YZHAMZRGGUMMFK-NRPADANISA-N -1 0 305.352 -0.001 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CSCCS1 ZINC000798199761 804787503 /nfs/dbraw/zinc/78/75/03/804787503.db2.gz JZKVZZAVIFNHRL-RQJHMYQMSA-N -1 0 313.422 -0.158 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2 ZINC000798199943 804787562 /nfs/dbraw/zinc/78/75/62/804787562.db2.gz IEBAHNMPPPVQJG-QMMMGPOBSA-N -1 0 315.351 -0.160 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)N1CCCC1)c1cnn(C)c1 ZINC000798819173 804801227 /nfs/dbraw/zinc/80/12/27/804801227.db2.gz NMYNYFXHJPCLTD-JTQLQIEISA-N -1 0 302.356 -0.436 20 0 DBADRM C[C@]1(C(=O)[N-]S(=O)(=O)N2CCCCC2)CCC(=O)NC1 ZINC000798819500 804801654 /nfs/dbraw/zinc/80/16/54/804801654.db2.gz YPXYMEBWYNDWFG-LBPRGKRZSA-N -1 0 303.384 -0.250 20 0 DBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)CC(F)(F)F)CCC(=O)NC1 ZINC000798834253 804801988 /nfs/dbraw/zinc/80/19/88/804801988.db2.gz ASSATHOUQZCHFD-MRVPVSSYSA-N -1 0 302.274 -0.089 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000798834221 804802133 /nfs/dbraw/zinc/80/21/33/804802133.db2.gz WRDSLJXZFYWMDJ-VIFPVBQESA-N -1 0 300.384 -0.162 20 0 DBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000798834706 804802394 /nfs/dbraw/zinc/80/23/94/804802394.db2.gz HXFYNHYXVUPOOS-UHFFFAOYSA-N -1 0 310.335 -0.046 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](OC)c1cnn(C)c1 ZINC000798838509 804802497 /nfs/dbraw/zinc/80/24/97/804802497.db2.gz LWAJMDPKDVCHOT-JTQLQIEISA-N -1 0 304.372 -0.190 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)F ZINC000798833074 804802552 /nfs/dbraw/zinc/80/25/52/804802552.db2.gz DRXNADANJGOTDU-MRVPVSSYSA-N -1 0 315.342 -0.735 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1)c1cnn(C)c1 ZINC000798851113 804802953 /nfs/dbraw/zinc/80/29/53/804802953.db2.gz VIABZANSASDTSG-MNOVXSKESA-N -1 0 317.367 -0.267 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1)c1cnn(C)c1 ZINC000798850520 804803451 /nfs/dbraw/zinc/80/34/51/804803451.db2.gz MPWOYEZBNQQBTI-QWRGUYRKSA-N -1 0 317.367 -0.267 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)c2cn3c(n2)CCCC3)CCOC1 ZINC000800026550 804819483 /nfs/dbraw/zinc/81/94/83/804819483.db2.gz LWVJFIGJLWYMIF-LBPRGKRZSA-N -1 0 315.351 -0.259 20 0 DBADRM CC(=O)OCC(C)(C)CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800552028 804826122 /nfs/dbraw/zinc/82/61/22/804826122.db2.gz XVCCJNSXIQHWAR-UHFFFAOYSA-N -1 0 322.383 -0.452 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnn2ccccc12 ZINC000800552688 804826211 /nfs/dbraw/zinc/82/62/11/804826211.db2.gz CPKDQBNKAQKJHD-UHFFFAOYSA-N -1 0 310.335 -0.470 20 0 DBADRM CC1=C(C(=O)NCCC(=O)[N-]S(C)(=O)=O)C(=O)OC1(C)C ZINC000800553555 804826383 /nfs/dbraw/zinc/82/63/83/804826383.db2.gz PKVDDJISSISVGO-UHFFFAOYSA-N -1 0 318.351 -0.780 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)COc1ccc(O)cc1 ZINC000800554259 804826500 /nfs/dbraw/zinc/82/65/00/804826500.db2.gz ZIVGSEGTZMBPKM-UHFFFAOYSA-N -1 0 316.335 -0.647 20 0 DBADRM CCn1nc(C)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800552325 804826519 /nfs/dbraw/zinc/82/65/19/804826519.db2.gz SZGLIYFVQDISAA-UHFFFAOYSA-N -1 0 302.356 -0.593 20 0 DBADRM Cc1[nH]c(=O)ccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800551593 804826611 /nfs/dbraw/zinc/82/66/11/804826611.db2.gz MDWYYURFHAHFHN-UHFFFAOYSA-N -1 0 301.324 -0.709 20 0 DBADRM CN(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1ccccc1 ZINC000800552694 804826660 /nfs/dbraw/zinc/82/66/60/804826660.db2.gz DCKOQISZPUFEFU-UHFFFAOYSA-N -1 0 313.379 -0.295 20 0 DBADRM CCc1ncncc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800552104 804826745 /nfs/dbraw/zinc/82/67/45/804826745.db2.gz JKWLXZDPDIMCMS-UHFFFAOYSA-N -1 0 300.340 -0.765 20 0 DBADRM O=C(CCn1ccnn1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000802064455 804841826 /nfs/dbraw/zinc/84/18/26/804841826.db2.gz RDRZFEGPWQMHGX-SNVBAGLBSA-N -1 0 302.356 -0.317 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCNC(=O)C1 ZINC000802159407 804842319 /nfs/dbraw/zinc/84/23/19/804842319.db2.gz BYJOTMQSQHMHIV-HRDYMLBCSA-N -1 0 320.367 -0.844 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)nn1C ZINC000802166221 804843236 /nfs/dbraw/zinc/84/32/36/804843236.db2.gz YUAYLXDIMLFQPE-DTWKUNHWSA-N -1 0 317.367 -0.014 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccnn1C ZINC000802162996 804843358 /nfs/dbraw/zinc/84/33/58/804843358.db2.gz ZIMXMXDKAHVDCM-RKDXNWHRSA-N -1 0 317.367 -0.394 20 0 DBADRM Cc1cc(=O)c(COC(=O)c2cn(C)c(=O)n(C)c2=O)n[n-]1 ZINC000802174098 804843912 /nfs/dbraw/zinc/84/39/12/804843912.db2.gz BKRIBZGPFHJMNM-UHFFFAOYSA-N -1 0 306.278 -0.755 20 0 DBADRM O=C(CCn1ccnn1)[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000802210245 804844809 /nfs/dbraw/zinc/84/48/09/804844809.db2.gz DKPAQTKNFJBVIG-UHFFFAOYSA-N -1 0 324.366 -0.220 20 0 DBADRM CCOCCOCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803003167 804848823 /nfs/dbraw/zinc/84/88/23/804848823.db2.gz ULKHASJFRWUANX-LLVKDONJSA-N -1 0 309.384 -0.088 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)[C@@H]1COCCO1 ZINC000803026949 804848942 /nfs/dbraw/zinc/84/89/42/804848942.db2.gz MMIPREJHRZSMIM-VIFPVBQESA-N -1 0 320.392 -0.145 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)C1=O ZINC000803006830 804849579 /nfs/dbraw/zinc/84/95/79/804849579.db2.gz NKURDRDCWKHXNS-NXEZZACHSA-N -1 0 304.368 -0.663 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC1CCN(CC(F)F)CC1 ZINC000803650975 804856103 /nfs/dbraw/zinc/85/61/03/804856103.db2.gz SIVFHKQMWGKEHW-UHFFFAOYSA-N -1 0 323.340 -0.084 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000804363316 804868926 /nfs/dbraw/zinc/86/89/26/804868926.db2.gz ZHSQFFZXQIFPCG-VIFPVBQESA-N -1 0 313.383 -0.572 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)C2CC=CC2)c1[O-] ZINC001285424710 804876450 /nfs/dbraw/zinc/87/64/50/804876450.db2.gz BXPOEMHBHKJKGR-SNVBAGLBSA-N -1 0 308.338 -0.403 20 0 DBADRM CC/C=C(/C)C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001285424853 804876674 /nfs/dbraw/zinc/87/66/74/804876674.db2.gz XEYOJTPOLYLGEY-NVDWLVSRSA-N -1 0 310.354 -0.013 20 0 DBADRM COCCCO[N-]C(=O)CSCC(=O)N1CCOCC1 ZINC000805037414 804883336 /nfs/dbraw/zinc/88/33/36/804883336.db2.gz QGICQDNIVWTPPY-UHFFFAOYSA-N -1 0 306.384 -0.337 20 0 DBADRM COCCCO[N-]C(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000805043005 804883534 /nfs/dbraw/zinc/88/35/34/804883534.db2.gz LRQKFNBAONCUNO-NSHDSACASA-N -1 0 301.343 -0.802 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001285465468 804889054 /nfs/dbraw/zinc/88/90/54/804889054.db2.gz LTTWTTXZCGKONB-OUZXLXBKSA-N -1 0 307.310 -0.659 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1cnc(N(C)C)n1C ZINC000805565255 804893797 /nfs/dbraw/zinc/89/37/97/804893797.db2.gz NXWROZXCSJZIHT-UHFFFAOYSA-N -1 0 313.358 -0.813 20 0 DBADRM CC(C)(C)c1cnc(CCC(=O)[N-]S(=O)(=O)CC(N)=O)o1 ZINC000805915506 804905352 /nfs/dbraw/zinc/90/53/52/804905352.db2.gz HJBXFHHHNRZZGE-UHFFFAOYSA-N -1 0 317.367 -0.164 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)CO[C@H](C)c1nccn1C ZINC000805888961 804905371 /nfs/dbraw/zinc/90/53/71/804905371.db2.gz WPGHSSCBWUOVNW-SECBINFHSA-N -1 0 304.372 -0.190 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2cccnn2)c1[O-] ZINC001285523574 804906375 /nfs/dbraw/zinc/90/63/75/804906375.db2.gz LRVQRPATYGXHDT-IHWYPQMZSA-N -1 0 316.321 -0.070 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000806260616 804913355 /nfs/dbraw/zinc/91/33/55/804913355.db2.gz MUGYTZRPNYUDPN-JTQLQIEISA-N -1 0 301.343 -0.804 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCO1 ZINC000806913957 804927133 /nfs/dbraw/zinc/92/71/33/804927133.db2.gz KPRPOFPXVAFNRO-SSDOTTSWSA-N -1 0 316.339 -0.607 20 0 DBADRM Cn1ncc(NC(=O)C(=O)[N-]OCC(N)=O)c1-c1ccccc1 ZINC000807027499 804929258 /nfs/dbraw/zinc/92/92/58/804929258.db2.gz FUUACUJOTYOYJR-UHFFFAOYSA-N -1 0 317.305 -0.441 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C[C@H]1C=CCC1 ZINC001285622243 804929361 /nfs/dbraw/zinc/92/93/61/804929361.db2.gz CAHWTFHRPYPBNP-BDAKNGLRSA-N -1 0 321.337 -0.126 20 0 DBADRM CC/C(C)=C/C(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001285641388 804934195 /nfs/dbraw/zinc/93/41/95/804934195.db2.gz JNZYDLFJFDYNGZ-WHXYTISESA-N -1 0 311.342 -0.334 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@H](C)CC1(C)OCCO1 ZINC000807417900 804936294 /nfs/dbraw/zinc/93/62/94/804936294.db2.gz DHIAFDWYFMROFL-LLVKDONJSA-N -1 0 318.370 -0.024 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCN(C(=O)CC)C1 ZINC000807840653 804940937 /nfs/dbraw/zinc/94/09/37/804940937.db2.gz HIAPEPLMAKILJY-SNVBAGLBSA-N -1 0 301.343 -0.802 20 0 DBADRM C[C@H](CNC(=O)C1CC=CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001285674783 804941339 /nfs/dbraw/zinc/94/13/39/804941339.db2.gz PPDNBRNIHIPSKJ-SSDOTTSWSA-N -1 0 307.310 -0.517 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCn1cnnn1 ZINC000807917988 804941947 /nfs/dbraw/zinc/94/19/47/804941947.db2.gz DMFWHDJRJJZMPO-UHFFFAOYSA-N -1 0 310.339 -0.525 20 0 DBADRM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)O[C@H]1CNOC1 ZINC000808090791 804947605 /nfs/dbraw/zinc/94/76/05/804947605.db2.gz UKELGYJGPUYMGF-VIFPVBQESA-N -1 0 317.305 -0.063 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000808278545 804955392 /nfs/dbraw/zinc/95/53/92/804955392.db2.gz XXQYIRIOSKDCDF-QWRGUYRKSA-N -1 0 304.343 -0.619 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1cccc(N(C)C)n1 ZINC000808397995 804959175 /nfs/dbraw/zinc/95/91/75/804959175.db2.gz MONOUQMUFIRXBT-UHFFFAOYSA-N -1 0 310.354 -0.152 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)/C=C/C1CC1 ZINC001285758673 804960809 /nfs/dbraw/zinc/96/08/09/804960809.db2.gz OJGALOMYAZCOIW-GJIOHYHPSA-N -1 0 321.337 -0.174 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)nn1 ZINC000808982107 804966650 /nfs/dbraw/zinc/96/66/50/804966650.db2.gz KRCXSQNWNQHMSV-UHFFFAOYSA-N -1 0 307.335 -0.148 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(Cl)cn1 ZINC000808998819 804967536 /nfs/dbraw/zinc/96/75/36/804967536.db2.gz UKUNYVGKPGNYKS-ZCFIWIBFSA-N -1 0 309.731 -0.456 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C1(c2cccnc2)CCCC1 ZINC000808998703 804967577 /nfs/dbraw/zinc/96/75/77/804967577.db2.gz PXOODUNGYPQOBD-UHFFFAOYSA-N -1 0 311.363 -0.175 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cncc(C(F)(F)F)c1 ZINC000808998823 804967743 /nfs/dbraw/zinc/96/77/43/804967743.db2.gz UNMUBEHUDXTQFL-UHFFFAOYSA-N -1 0 311.241 -0.355 20 0 DBADRM O=C(Cn1cc(Cl)cn1)[N-]S(=O)(=O)N1CCOCC1 ZINC000808988048 804967852 /nfs/dbraw/zinc/96/78/52/804967852.db2.gz IAYHXUIYSDSLLB-UHFFFAOYSA-N -1 0 308.747 -0.770 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(=O)N1 ZINC000808998769 804967896 /nfs/dbraw/zinc/96/78/96/804967896.db2.gz ROTMXBRYXNNTRD-SFYZADRCSA-N -1 0 306.340 -0.947 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000809033285 804968522 /nfs/dbraw/zinc/96/85/22/804968522.db2.gz JNPUZBUBAAHOIJ-UHFFFAOYSA-N -1 0 316.383 -0.160 20 0 DBADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)cc1 ZINC000809065382 804969707 /nfs/dbraw/zinc/96/97/07/804969707.db2.gz ANYHBMUHKCOVFK-UHFFFAOYSA-N -1 0 324.362 -0.464 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)[N-]OCCSC ZINC000809239689 804970687 /nfs/dbraw/zinc/97/06/87/804970687.db2.gz OMKGZTVVDUQVPZ-BDAKNGLRSA-N -1 0 303.384 -0.572 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC000809551502 804977768 /nfs/dbraw/zinc/97/77/68/804977768.db2.gz VUQXFBCOWHVDFV-NSHDSACASA-N -1 0 318.351 -0.070 20 0 DBADRM CCNC(=O)C1(CNC(=O)C(=O)[N-]OCCOC)CCC1 ZINC000809727742 804979582 /nfs/dbraw/zinc/97/95/82/804979582.db2.gz VCANPXWYRAAJSS-UHFFFAOYSA-N -1 0 301.343 -0.897 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCC1([S@](C)=O)CCC1 ZINC000809894472 804983898 /nfs/dbraw/zinc/98/38/98/804983898.db2.gz FKNWUZSXXQCQJV-FQEVSTJZSA-N -1 0 306.384 -0.512 20 0 DBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)n1 ZINC000810566571 804995276 /nfs/dbraw/zinc/99/52/76/804995276.db2.gz WJNXXXNXWXAJHK-UHFFFAOYSA-N -1 0 307.335 -0.148 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ncn(C)n1 ZINC000810681195 804998517 /nfs/dbraw/zinc/99/85/17/804998517.db2.gz FRZGPCRSTFEKKA-NKWVEPMBSA-N -1 0 304.328 -0.928 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1C1CC1 ZINC000810670599 804998676 /nfs/dbraw/zinc/99/86/76/804998676.db2.gz IYDYEAZLGFOVHP-ZETCQYMHSA-N -1 0 315.351 -0.081 20 0 DBADRM COc1ncc(C(=O)[N-]S(=O)(=O)c2c(N)noc2C)cn1 ZINC000810826921 805000342 /nfs/dbraw/zinc/00/03/42/805000342.db2.gz ISTRDOPYOXLWSK-UHFFFAOYSA-N -1 0 313.295 -0.517 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)c1ncn(C)n1 ZINC000810877251 805001573 /nfs/dbraw/zinc/00/15/73/805001573.db2.gz TZXGCBDZPNGOIS-UHFFFAOYSA-N -1 0 315.380 -0.118 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cc(C(N)=O)cn2C)CC1 ZINC000811151413 805004828 /nfs/dbraw/zinc/00/48/28/805004828.db2.gz MSWWYSZYCKSVJS-UHFFFAOYSA-N -1 0 315.351 -0.637 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000811140205 805005327 /nfs/dbraw/zinc/00/53/27/805005327.db2.gz RDAPDMUFRYUKRY-MRVPVSSYSA-N -1 0 322.383 -0.454 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000811156049 805006036 /nfs/dbraw/zinc/00/60/36/805006036.db2.gz FZVSIKXBGOOZTN-VIFPVBQESA-N -1 0 316.379 -0.378 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000811156048 805006430 /nfs/dbraw/zinc/00/64/30/805006430.db2.gz FZVSIKXBGOOZTN-SECBINFHSA-N -1 0 316.379 -0.378 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN(C(C)=O)C2)CC1 ZINC000811160665 805006585 /nfs/dbraw/zinc/00/65/85/805006585.db2.gz MOHAQBXOGBINHA-LBPRGKRZSA-N -1 0 318.395 -0.130 20 0 DBADRM CC(C)OCCO[N-]C(=O)CNS(=O)(=O)c1cccnc1 ZINC000812806064 805022317 /nfs/dbraw/zinc/02/23/17/805022317.db2.gz MNFFFFQVEGQIEF-UHFFFAOYSA-N -1 0 317.367 -0.167 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ncn(C(C)(C)C)n1 ZINC000813074503 805025043 /nfs/dbraw/zinc/02/50/43/805025043.db2.gz DPGCQSIFZJRUJJ-UHFFFAOYSA-N -1 0 319.387 -0.414 20 0 DBADRM CNC(=O)OC[C@@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000813725886 805032596 /nfs/dbraw/zinc/03/25/96/805032596.db2.gz PBUVFYDFCHMOEX-ZETCQYMHSA-N -1 0 311.298 -0.367 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C2CC(C)(C)C2)CC1 ZINC000813944238 805035518 /nfs/dbraw/zinc/03/55/18/805035518.db2.gz MNQGJWATCGCZGW-UHFFFAOYSA-N -1 0 317.411 -0.052 20 0 DBADRM CC[C@@](C)(OC)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813946672 805035664 /nfs/dbraw/zinc/03/56/64/805035664.db2.gz ILEOVXQJPHJWQY-GFCCVEGCSA-N -1 0 321.399 -0.673 20 0 DBADRM CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813944530 805036224 /nfs/dbraw/zinc/03/62/24/805036224.db2.gz UFBWCKPSVMZYLI-SNVBAGLBSA-N -1 0 321.399 -0.673 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000813950140 805036489 /nfs/dbraw/zinc/03/64/89/805036489.db2.gz KRFOLOZSJLTSMG-ZYHUDNBSSA-N -1 0 317.411 -0.052 20 0 DBADRM CCC(C)(C)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813947527 805036695 /nfs/dbraw/zinc/03/66/95/805036695.db2.gz NFXRJUGEQKQYTD-UHFFFAOYSA-N -1 0 305.400 -0.052 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000813950556 805036745 /nfs/dbraw/zinc/03/67/45/805036745.db2.gz VWURXPVNBUGRJW-NWDGAFQWSA-N -1 0 315.395 -0.442 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)cnn1C ZINC000813950743 805036778 /nfs/dbraw/zinc/03/67/78/805036778.db2.gz DSPJUGOOSHAHPN-UHFFFAOYSA-N -1 0 311.323 -0.726 20 0 DBADRM CSC[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813948536 805036869 /nfs/dbraw/zinc/03/68/69/805036869.db2.gz JQKJPZMOMLJPIZ-SECBINFHSA-N -1 0 323.440 -0.489 20 0 DBADRM CC[C@@H](SC)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813950563 805037043 /nfs/dbraw/zinc/03/70/43/805037043.db2.gz WBOQGVZRAJKYRH-SNVBAGLBSA-N -1 0 323.440 -0.347 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)c2c(C)cnn2C)nn1 ZINC000813985941 805037460 /nfs/dbraw/zinc/03/74/60/805037460.db2.gz WLECUHQIAOOPTJ-UHFFFAOYSA-N -1 0 312.355 -0.151 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)o2)cnn1C ZINC000813951727 805037726 /nfs/dbraw/zinc/03/77/26/805037726.db2.gz AYLIXTJHTPPQCA-UHFFFAOYSA-N -1 0 312.307 -0.461 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)/C=C/c2cnn(C)c2)cnn1C ZINC000813955356 805037891 /nfs/dbraw/zinc/03/78/91/805037891.db2.gz DPLCHBVPMHLXNX-SNAWJCMRSA-N -1 0 309.351 -0.020 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000813989709 805038451 /nfs/dbraw/zinc/03/84/51/805038451.db2.gz RXHGAQOSUUQBIZ-UHFFFAOYSA-N -1 0 316.383 -0.160 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000813989830 805038506 /nfs/dbraw/zinc/03/85/06/805038506.db2.gz UJGYWJZZQHJIGW-SNVBAGLBSA-N -1 0 316.383 -0.746 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cnn2cccnc12 ZINC000813987169 805038734 /nfs/dbraw/zinc/03/87/34/805038734.db2.gz DLEPJKSYVDEAQE-UHFFFAOYSA-N -1 0 320.334 -0.110 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)COC[C@H]1CCCO1 ZINC000813992292 805038746 /nfs/dbraw/zinc/03/87/46/805038746.db2.gz ZBSXKUDFYFGBOU-SNVBAGLBSA-N -1 0 317.367 -0.271 20 0 DBADRM COc1ncc(C(=O)[N-]S(=O)(=O)c2c(C)cnn2C)cn1 ZINC000813991742 805039072 /nfs/dbraw/zinc/03/90/72/805039072.db2.gz NPCYBDSGUWPSLL-UHFFFAOYSA-N -1 0 311.323 -0.354 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)/C=C/c1cnn(C)c1 ZINC000813989942 805039090 /nfs/dbraw/zinc/03/90/90/805039090.db2.gz BGJMDSQJMPWWMY-SNAWJCMRSA-N -1 0 309.351 -0.020 20 0 DBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)c2ccccc2)c1=O ZINC000815892559 805060577 /nfs/dbraw/zinc/06/05/77/805060577.db2.gz UWVALNQTGJPXQM-UHFFFAOYSA-N -1 0 310.335 -0.523 20 0 DBADRM NC(=O)CO[N-]C(=O)CN1c2ccccc2OC(F)(F)C1=O ZINC000815937302 805061905 /nfs/dbraw/zinc/06/19/05/805061905.db2.gz QEWIYMUIONHXRA-UHFFFAOYSA-N -1 0 315.232 -0.462 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000815945482 805062027 /nfs/dbraw/zinc/06/20/27/805062027.db2.gz HQHKLGNDAROXAG-SECBINFHSA-N -1 0 302.356 -0.632 20 0 DBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)CC(C)(C)C)c1=O ZINC000815947035 805062185 /nfs/dbraw/zinc/06/21/85/805062185.db2.gz NBZPNRPYZMCWFL-UHFFFAOYSA-N -1 0 304.372 -0.536 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC000815946526 805062241 /nfs/dbraw/zinc/06/22/41/805062241.db2.gz UYMSCKMMYFJHLG-UHFFFAOYSA-N -1 0 311.319 -0.552 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)n1C ZINC000815945536 805062491 /nfs/dbraw/zinc/06/24/91/805062491.db2.gz JNDAAAZTIJYQGM-UHFFFAOYSA-N -1 0 304.324 -0.482 20 0 DBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)c2cnccn2)c(Cl)n1 ZINC000815980239 805063345 /nfs/dbraw/zinc/06/33/45/805063345.db2.gz FJQFTSPWHKUKDJ-UHFFFAOYSA-N -1 0 315.742 -0.089 20 0 DBADRM O=C(CN1CCCCC1=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000815997872 805063642 /nfs/dbraw/zinc/06/36/42/805063642.db2.gz ZELMNIHGFUTKCY-JTQLQIEISA-N -1 0 304.368 -0.519 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)n1 ZINC000816033878 805064082 /nfs/dbraw/zinc/06/40/82/805064082.db2.gz HBJGNURGKFGJDW-UHFFFAOYSA-N -1 0 324.366 -0.132 20 0 DBADRM CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000816035028 805064380 /nfs/dbraw/zinc/06/43/80/805064380.db2.gz ZLEYEQAOVMIMFS-DTWKUNHWSA-N -1 0 302.356 -0.175 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)c[nH]1 ZINC000816015857 805064399 /nfs/dbraw/zinc/06/43/99/805064399.db2.gz XNVAIYQLTDQWEN-LURJTMIESA-N -1 0 318.307 -0.578 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC)n1 ZINC000816025427 805064619 /nfs/dbraw/zinc/06/46/19/805064619.db2.gz VEOCVZGGKOPJBX-HTQZYQBOSA-N -1 0 318.355 -0.445 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000816090204 805065213 /nfs/dbraw/zinc/06/52/13/805065213.db2.gz AOKDLIJATCBUNA-UHFFFAOYSA-N -1 0 318.355 -0.443 20 0 DBADRM CO[C@@H]1CCC[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC000816448846 805070421 /nfs/dbraw/zinc/07/04/21/805070421.db2.gz LVFPBUMGGRPSLJ-NXEZZACHSA-N -1 0 306.384 -0.226 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)c1cocn1 ZINC000816458678 805071273 /nfs/dbraw/zinc/07/12/73/805071273.db2.gz CSOYMEMMIBJHDX-QMMMGPOBSA-N -1 0 312.307 -0.049 20 0 DBADRM O=C(CN1C(=O)COc2ccccc21)Nn1c(=O)[n-][nH]c1=O ZINC000816731695 805078657 /nfs/dbraw/zinc/07/86/57/805078657.db2.gz BBSLPWHFXRZDHB-UHFFFAOYSA-N -1 0 305.250 -0.815 20 0 DBADRM O=C(Cn1c(=O)cnc2ccccc21)Nn1c(=O)[n-][nH]c1=O ZINC000816732367 805079450 /nfs/dbraw/zinc/07/94/50/805079450.db2.gz DLFAKJIRZCWAOZ-UHFFFAOYSA-N -1 0 302.250 -0.831 20 0 DBADRM CC(=O)N1CCc2cc(C(=O)Nn3c(=O)[n-][nH]c3=O)ccc21 ZINC000816733522 805079575 /nfs/dbraw/zinc/07/95/75/805079575.db2.gz AKLATCSTGKKTME-UHFFFAOYSA-N -1 0 303.278 -0.018 20 0 DBADRM CC(C)[C@@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000816731718 805079687 /nfs/dbraw/zinc/07/96/87/805079687.db2.gz BUOOWXAENDLFFM-AEJSXWLSSA-N -1 0 313.358 -0.107 20 0 DBADRM C=C1c2ccccc2C(=O)N1CC(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816733602 805080114 /nfs/dbraw/zinc/08/01/14/805080114.db2.gz DWPBQOZBTQCHGW-UHFFFAOYSA-N -1 0 301.262 -0.114 20 0 DBADRM CS(=O)(=O)Nc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1 ZINC000816732440 805080144 /nfs/dbraw/zinc/08/01/44/805080144.db2.gz HFELDKROPGLYJL-UHFFFAOYSA-N -1 0 313.295 -0.555 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCCCCC(=O)[O-] ZINC000817113860 805090900 /nfs/dbraw/zinc/09/09/00/805090900.db2.gz AMNXCXSQUGPMJH-JTQLQIEISA-N -1 0 313.354 -0.563 20 0 DBADRM CN(Cc1ccccc1S(N)(=O)=O)C(=O)c1cc(=O)[nH][n-]1 ZINC000817273963 805093603 /nfs/dbraw/zinc/09/36/03/805093603.db2.gz ZWERGPUINVMVIA-UHFFFAOYSA-N -1 0 310.335 -0.832 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](C(F)F)C2)C1 ZINC000817900604 805103310 /nfs/dbraw/zinc/10/33/10/805103310.db2.gz OMOMHTAWKKYLPW-AMIZOPFISA-N -1 0 320.292 -0.198 20 0 DBADRM CON(Cc1ccccc1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000817903248 805103487 /nfs/dbraw/zinc/10/34/87/805103487.db2.gz LGSHIWYEZLMZLM-GFCCVEGCSA-N -1 0 322.317 -0.111 20 0 DBADRM C[C@@]1(F)CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000817908079 805103534 /nfs/dbraw/zinc/10/35/34/805103534.db2.gz NTNKWHLOMWJYKE-NOZJJQNGSA-N -1 0 302.302 -0.351 20 0 DBADRM CN(OCc1ccccc1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000817903836 805103573 /nfs/dbraw/zinc/10/35/73/805103573.db2.gz VTHPITHQESDJSO-LBPRGKRZSA-N -1 0 322.317 -0.111 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(F)F)C2)C1 ZINC000817901704 805103627 /nfs/dbraw/zinc/10/36/27/805103627.db2.gz XCELVOWAVLATQY-BDAKNGLRSA-N -1 0 320.292 -0.198 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](C(F)F)C2)C1 ZINC000817900605 805103725 /nfs/dbraw/zinc/10/37/25/805103725.db2.gz OMOMHTAWKKYLPW-ISVAXAHUSA-N -1 0 320.292 -0.198 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC[C@@]1(COC)C(=O)[O-] ZINC000818309166 805109295 /nfs/dbraw/zinc/10/92/95/805109295.db2.gz OSAPSXQMVPHHBJ-GFCCVEGCSA-N -1 0 323.367 -0.860 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)N(C)CCC(=O)[O-])CC1 ZINC000818255742 805109842 /nfs/dbraw/zinc/10/98/42/805109842.db2.gz QCROVMJLWIKKNU-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM COCCOCCC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818316086 805111203 /nfs/dbraw/zinc/11/12/03/805111203.db2.gz BZGWHISVESCCKG-SNVBAGLBSA-N -1 0 312.326 -0.197 20 0 DBADRM C[C@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C(=O)[O-] ZINC000818325495 805111323 /nfs/dbraw/zinc/11/13/23/805111323.db2.gz MAXWOPOPCZMTKP-WCBMZHEXSA-N -1 0 309.322 -0.591 20 0 DBADRM C[C@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H]1C(=O)[O-] ZINC000818324838 805111408 /nfs/dbraw/zinc/11/14/08/805111408.db2.gz AJXXQDYYDRRPJE-ONGXEEELSA-N -1 0 309.322 -0.362 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCC[C@@H](CCF)C1 ZINC000884477424 807051197 /nfs/dbraw/zinc/05/11/97/807051197.db2.gz XABLUYZQYPZLMZ-JTQLQIEISA-N -1 0 304.318 -0.198 20 0 DBADRM C[C@@H]1SCCN(C(=O)C(=O)NCCOCC(=O)[O-])[C@H]1C ZINC000884476448 807051304 /nfs/dbraw/zinc/05/13/04/807051304.db2.gz QDARBNURWHMRGZ-IUCAKERBSA-N -1 0 304.368 -0.444 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCOCC(=O)[O-])CCS1 ZINC000884476702 807051331 /nfs/dbraw/zinc/05/13/31/807051331.db2.gz YHTHOJPJAKUMPN-SECBINFHSA-N -1 0 304.368 -0.442 20 0 DBADRM CC1(C)CCN(C(=O)C(=O)NCCOCC(=O)[O-])CCS1 ZINC000884477415 807051359 /nfs/dbraw/zinc/05/13/59/807051359.db2.gz WUJZCTKSCLMDCU-UHFFFAOYSA-N -1 0 318.395 -0.052 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C1 ZINC000884478322 807051570 /nfs/dbraw/zinc/05/15/70/807051570.db2.gz XXVJFYNDQPIFOE-HDLKOFKZSA-N -1 0 322.361 -0.151 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)NCCS(C)(=O)=O)C(=O)[O-] ZINC000818656826 805115086 /nfs/dbraw/zinc/11/50/86/805115086.db2.gz KCRLRVAIPPYSAR-UHFFFAOYSA-N -1 0 322.383 -0.846 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)N(C)CCC(=O)[O-])C2=O)n(C)n1 ZINC000818829642 805116382 /nfs/dbraw/zinc/11/63/82/805116382.db2.gz GDZXBJDWYSQUGF-JTQLQIEISA-N -1 0 323.353 -0.050 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000818658405 805116473 /nfs/dbraw/zinc/11/64/73/805116473.db2.gz XBUBGTDYCTVFPV-LLVKDONJSA-N -1 0 323.353 -0.187 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000884478323 807051971 /nfs/dbraw/zinc/05/19/71/807051971.db2.gz XXVJFYNDQPIFOE-JIMTYQMOSA-N -1 0 322.361 -0.151 20 0 DBADRM Cn1nccc1CCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000818658403 805116710 /nfs/dbraw/zinc/11/67/10/805116710.db2.gz WXVURDZNPQYGJQ-UHFFFAOYSA-N -1 0 310.354 -0.304 20 0 DBADRM COc1ccsc1S(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000819095611 805120846 /nfs/dbraw/zinc/12/08/46/805120846.db2.gz XWFVCIPMJOQWJD-JTQLQIEISA-N -1 0 307.349 -0.033 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000819094708 805121497 /nfs/dbraw/zinc/12/14/97/805121497.db2.gz PIXLRMMRUJZQQJ-CYBMUJFWSA-N -1 0 313.331 -0.073 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)c1C ZINC000819094928 805121583 /nfs/dbraw/zinc/12/15/83/805121583.db2.gz ROYOWEIPGVNTFF-GFCCVEGCSA-N -1 0 317.367 -0.270 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000819106234 805122314 /nfs/dbraw/zinc/12/23/14/805122314.db2.gz SXANOJBXMNLSON-WCBMZHEXSA-N -1 0 303.340 -0.124 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1 ZINC000819095644 805122534 /nfs/dbraw/zinc/12/25/34/805122534.db2.gz YHZDXOMTWBWAEW-LBPRGKRZSA-N -1 0 315.303 -0.375 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCCS(C)(=O)=O)c1 ZINC000819123783 805122764 /nfs/dbraw/zinc/12/27/64/805122764.db2.gz CAAOMLNYKYPIIT-IBGZPJMESA-N -1 0 319.404 -0.036 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCn1cnnn1 ZINC000819458492 805127886 /nfs/dbraw/zinc/12/78/86/805127886.db2.gz FNSHBRZUWOYWIN-UHFFFAOYSA-N -1 0 324.366 -0.135 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccn(Cc2ccccn2)n1 ZINC000819521523 805129946 /nfs/dbraw/zinc/12/99/46/805129946.db2.gz NHUGIBDXVOSGRP-UHFFFAOYSA-N -1 0 303.278 -0.534 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CC(=O)N(C)C1=O ZINC000819720922 805134269 /nfs/dbraw/zinc/13/42/69/805134269.db2.gz IPKRDWPBAUAJSI-XPUUQOCRSA-N -1 0 323.271 -0.437 20 0 DBADRM C[C@@]1(C(=O)Nn2c(=O)[n-][nH]c2=O)Cc2ccccc2C(=O)O1 ZINC000820288395 805152080 /nfs/dbraw/zinc/15/20/80/805152080.db2.gz LANIEFIEUHHIIU-ZDUSSCGKSA-N -1 0 304.262 -0.069 20 0 DBADRM CCn1ncn([N-]C(=O)c2cc(S(C)(=O)=O)cs2)c1=O ZINC000820391237 805155732 /nfs/dbraw/zinc/15/57/32/805155732.db2.gz LRDAIJZOAQVEDE-UHFFFAOYSA-N -1 0 316.364 -0.086 20 0 DBADRM COCCO[N-]C(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000820613428 805161429 /nfs/dbraw/zinc/16/14/29/805161429.db2.gz CIMIMNPIUCGELW-NKWVEPMBSA-N -1 0 305.274 -0.096 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNC(=O)C2CC=CC2)c1[O-] ZINC001288072588 805161554 /nfs/dbraw/zinc/16/15/54/805161554.db2.gz FMQUSYYCQBJPLT-NSHDSACASA-N -1 0 322.365 -0.061 20 0 DBADRM COCCO[N-]C(=O)COc1nsnc1N1CCOCC1 ZINC000820613679 805162892 /nfs/dbraw/zinc/16/28/92/805162892.db2.gz JCYPUQVEADYKSJ-UHFFFAOYSA-N -1 0 318.355 -0.552 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cn1C ZINC000820677803 805164211 /nfs/dbraw/zinc/16/42/11/805164211.db2.gz RWSBHTIUFDPYFE-QMMMGPOBSA-N -1 0 323.305 -0.317 20 0 DBADRM COCc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)ncn1 ZINC000820743820 805165198 /nfs/dbraw/zinc/16/51/98/805165198.db2.gz QLDMTMCDLZLOTB-QMMMGPOBSA-N -1 0 308.294 -0.505 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)CC(C)(C)C)cn1 ZINC000821251978 805176998 /nfs/dbraw/zinc/17/69/98/805176998.db2.gz WUXIEMPUOWAAOK-ZJUUUORDSA-N -1 0 319.383 -0.051 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)CC(C)(C)C)c1 ZINC000821261257 805177025 /nfs/dbraw/zinc/17/70/25/805177025.db2.gz QGBKTCRZASLNBN-PSASIEDQSA-N -1 0 319.383 -0.051 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CNC(C)=O ZINC000821585807 805185082 /nfs/dbraw/zinc/18/50/82/805185082.db2.gz XAXGTYQQSTZKPX-SECBINFHSA-N -1 0 308.356 -0.700 20 0 DBADRM CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[N-]OCCO ZINC000822063126 805196549 /nfs/dbraw/zinc/19/65/49/805196549.db2.gz ZVOKJYJDKAYWJW-SNVBAGLBSA-N -1 0 303.359 -0.422 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(CCO)C[C@H]2C)cc1=O ZINC000822159694 805197859 /nfs/dbraw/zinc/19/78/59/805197859.db2.gz OZQFAMSPGHSTNX-CYBMUJFWSA-N -1 0 324.425 -0.100 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](Cc1ccccc1)n1nnnc1C ZINC001289430407 805220123 /nfs/dbraw/zinc/22/01/23/805220123.db2.gz SUBKUDVKLHSTSR-GFCCVEGCSA-N -1 0 318.337 -0.441 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC001289429811 805220573 /nfs/dbraw/zinc/22/05/73/805220573.db2.gz JYKPEPHYPVQARZ-UHFFFAOYSA-N -1 0 306.322 -0.275 20 0 DBADRM CO[N-]C(=O)CNC(=O)C1(S(=O)(=O)c2ccccc2)CC1 ZINC001289429332 805220578 /nfs/dbraw/zinc/22/05/78/805220578.db2.gz CRAIHXWIHQRJKC-UHFFFAOYSA-N -1 0 312.347 -0.213 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823575709 805234994 /nfs/dbraw/zinc/23/49/94/805234994.db2.gz XGTRXIHTKCFXRS-VXGBXAGGSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H](C(=O)N1CCOC[C@@H]1c1nnn[n-]1)N(C)CC(F)(F)F ZINC000823646282 805236680 /nfs/dbraw/zinc/23/66/80/805236680.db2.gz HGBIMEGPMBWIPM-HTQZYQBOSA-N -1 0 322.291 -0.018 20 0 DBADRM CC(C)N(CCCNC(=O)c1[nH]c(=O)[nH]c(=O)c1N)C(=O)[O-] ZINC000824346628 805255688 /nfs/dbraw/zinc/25/56/88/805255688.db2.gz LQIZUUIMIVZWKP-UHFFFAOYSA-N -1 0 313.314 -0.022 20 0 DBADRM NC(=O)Cc1csc(NC(=O)c2c[n-]n3c2nccc3=O)n1 ZINC001291981761 805266254 /nfs/dbraw/zinc/26/62/54/805266254.db2.gz PPNJIOWUZMVHLZ-UHFFFAOYSA-N -1 0 318.318 -0.241 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC2(CC(=O)N2)CC1 ZINC001292408492 805271497 /nfs/dbraw/zinc/27/14/97/805271497.db2.gz DOPVELWRPXJULF-UHFFFAOYSA-N -1 0 309.326 -0.649 20 0 DBADRM CC[C@]1(C)COCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825165238 805273103 /nfs/dbraw/zinc/27/31/03/805273103.db2.gz WQVRRDLUVZNPJB-GFCCVEGCSA-N -1 0 306.330 -0.514 20 0 DBADRM CC[C@@]1(C)COCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825165239 805273238 /nfs/dbraw/zinc/27/32/38/805273238.db2.gz WQVRRDLUVZNPJB-LBPRGKRZSA-N -1 0 306.330 -0.514 20 0 DBADRM CC(C)=CC(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001292470739 805276118 /nfs/dbraw/zinc/27/61/18/805276118.db2.gz DTJYGOVIXPZOMT-UHFFFAOYSA-N -1 0 303.322 -0.165 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825301879 805277327 /nfs/dbraw/zinc/27/73/27/805277327.db2.gz RKEGFAROXBUYMM-UHFFFAOYSA-N -1 0 313.343 -0.489 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC000825476600 805280030 /nfs/dbraw/zinc/28/00/30/805280030.db2.gz OZEHXJXPOHXWRK-SECBINFHSA-N -1 0 323.382 -0.220 20 0 DBADRM CN(C(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O)c1nnn[n-]1 ZINC000825531577 805281475 /nfs/dbraw/zinc/28/14/75/805281475.db2.gz LZTDJAMPRRBMAH-LURJTMIESA-N -1 0 306.248 -0.037 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@@H](O)C[C@]2(C)CO)cc1=O ZINC000825586598 805283035 /nfs/dbraw/zinc/28/30/35/805283035.db2.gz JOWMGURJQNLWFB-SWLSCSKDSA-N -1 0 311.382 -0.281 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2COC(C)(C)O2)c1=O ZINC000825796345 805286203 /nfs/dbraw/zinc/28/62/03/805286203.db2.gz CSWBGDQWJORYPL-QMMMGPOBSA-N -1 0 322.325 -0.639 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)OCC(C)C)c1=O ZINC000825796599 805286321 /nfs/dbraw/zinc/28/63/21/805286321.db2.gz JGWNETVUUOTHFT-UHFFFAOYSA-N -1 0 322.325 -0.591 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)[C@@H]2COCCN2C(=O)[O-])CCO1 ZINC000825988983 805288657 /nfs/dbraw/zinc/28/86/57/805288657.db2.gz RAYVXKIXIJXKJI-ZJUUUORDSA-N -1 0 316.310 -0.844 20 0 DBADRM CCN(CC(=O)OC)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000826062328 805291465 /nfs/dbraw/zinc/29/14/65/805291465.db2.gz PREBOMCVXHSINA-UHFFFAOYSA-N -1 0 316.335 -0.325 20 0 DBADRM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1(C)C ZINC000826144212 805300163 /nfs/dbraw/zinc/30/01/63/805300163.db2.gz DRQJTIHMPFAZBM-FXBDTBDDSA-N -1 0 320.357 -0.366 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cccc2c1OCO2 ZINC000826425373 805309956 /nfs/dbraw/zinc/30/99/56/805309956.db2.gz ANPCYZWDBJXZNF-UHFFFAOYSA-N -1 0 314.265 -0.174 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnccn1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826450498 805310541 /nfs/dbraw/zinc/31/05/41/805310541.db2.gz OWKUTNMPPOEOGU-UHFFFAOYSA-N -1 0 320.294 -0.897 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H](CO)C1CCCCC1 ZINC000826425268 805310595 /nfs/dbraw/zinc/31/05/95/805310595.db2.gz WNQXVFYNSYTBDN-JTQLQIEISA-N -1 0 320.357 -0.484 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccc(Cl)cn1 ZINC000826425841 805311120 /nfs/dbraw/zinc/31/11/20/805311120.db2.gz WHVOKMNUNLWHJJ-UHFFFAOYSA-N -1 0 319.716 -0.177 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)CCc2cn(C)nn2)c1[O-] ZINC001292643147 805312049 /nfs/dbraw/zinc/31/20/49/805312049.db2.gz FGPQJCDGCXSGGZ-UHFFFAOYSA-N -1 0 321.341 -0.969 20 0 DBADRM CC(C)C(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000826651458 805317410 /nfs/dbraw/zinc/31/74/10/805317410.db2.gz DFPNQEGPPPTGKX-UWVGGRQHSA-N -1 0 314.338 -0.234 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N(C)C2CS(=O)(=O)C2)cc1=O ZINC000827372097 805336687 /nfs/dbraw/zinc/33/66/87/805336687.db2.gz QHLPZGPKBFNGOU-UHFFFAOYSA-N -1 0 315.395 -0.370 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@@H]2COCCN2C)cc1=O ZINC000827422222 805337601 /nfs/dbraw/zinc/33/76/01/805337601.db2.gz BBQGYHLFFMIVRF-CYBMUJFWSA-N -1 0 310.398 -0.178 20 0 DBADRM COc1ccc(F)cc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC000827440836 805338586 /nfs/dbraw/zinc/33/85/86/805338586.db2.gz MJUMHTNCLKJLEF-UHFFFAOYSA-N -1 0 317.298 -0.078 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000827475024 805340522 /nfs/dbraw/zinc/34/05/22/805340522.db2.gz DJGNVJGMWJPMKN-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CC1(C(=O)NCCNC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001292843484 805346331 /nfs/dbraw/zinc/34/63/31/805346331.db2.gz IKWJLIKBHXZMDZ-UHFFFAOYSA-N -1 0 309.326 -0.752 20 0 DBADRM C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1nnc2ccccn21 ZINC000827646031 805348279 /nfs/dbraw/zinc/34/82/79/805348279.db2.gz NPQXBDVRKZQUID-QMMMGPOBSA-N -1 0 315.293 -0.104 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC000827684594 805349052 /nfs/dbraw/zinc/34/90/52/805349052.db2.gz IHMVXGVIBPPWEZ-SNVBAGLBSA-N -1 0 312.370 -0.101 20 0 DBADRM O=C(NCCNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)c1n[nH]c(=O)[n-]c1=O ZINC001292916672 805357674 /nfs/dbraw/zinc/35/76/74/805357674.db2.gz MUJULMMXZKSLIG-YIZRAAEISA-N -1 0 321.337 -0.435 20 0 DBADRM CN1C(=O)C(=O)N(CN(C2CC2)[C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000828440890 805374131 /nfs/dbraw/zinc/37/41/31/805374131.db2.gz JRLZTDJNTUHQSF-VIFPVBQESA-N -1 0 310.310 -0.419 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)[C@@H]1CC[C@H](F)C1 ZINC001293029209 805375051 /nfs/dbraw/zinc/37/50/51/805375051.db2.gz XWUBVRDCWTYOLL-SFYZADRCSA-N -1 0 315.305 -0.940 20 0 DBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000828634696 805379299 /nfs/dbraw/zinc/37/92/99/805379299.db2.gz XLLNWEZKDSGCNO-AWEZNQCLSA-N -1 0 321.337 -0.110 20 0 DBADRM O=C(C[C@@H]1C=CCC1)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001293133100 805388160 /nfs/dbraw/zinc/38/81/60/805388160.db2.gz RIBKZXZMDHNNIB-SECBINFHSA-N -1 0 321.337 -0.125 20 0 DBADRM CCS(=O)(=O)CCNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC000829212690 805390359 /nfs/dbraw/zinc/39/03/59/805390359.db2.gz ZVVHEJPQJMHDHH-UHFFFAOYSA-N -1 0 322.364 -0.507 20 0 DBADRM COC(=O)[C@H]1C[C@@H]1C(=O)NCCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001293190875 805395811 /nfs/dbraw/zinc/39/58/11/805395811.db2.gz JZSZGDRFXYWDGW-IUCAKERBSA-N -1 0 324.337 -0.531 20 0 DBADRM CCn1nc(C)c(CNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])n1 ZINC000829707332 805399155 /nfs/dbraw/zinc/39/91/55/805399155.db2.gz YZYPHAKTRHXEIO-SNVBAGLBSA-N -1 0 317.371 -0.510 20 0 DBADRM CS(=O)(=O)Cc1noc(CN2CCC[C@H](NC(=O)[O-])C2)n1 ZINC000829679797 805399348 /nfs/dbraw/zinc/39/93/48/805399348.db2.gz SDGYWLSZUANUMY-QMMMGPOBSA-N -1 0 318.355 -0.154 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000829862147 805404242 /nfs/dbraw/zinc/40/42/42/805404242.db2.gz XVLQUCDYRDVCRS-SECBINFHSA-N -1 0 308.356 -0.189 20 0 DBADRM COCCn1cc(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)cn1 ZINC000829899945 805404868 /nfs/dbraw/zinc/40/48/68/805404868.db2.gz GMXKWOXEYJGREB-NSHDSACASA-N -1 0 321.330 -0.283 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000830017233 805414180 /nfs/dbraw/zinc/41/41/80/805414180.db2.gz IQJKSPBLABTGKE-ZJUUUORDSA-N -1 0 322.383 -0.879 20 0 DBADRM COCC1(S(=O)(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000830053808 805418177 /nfs/dbraw/zinc/41/81/77/805418177.db2.gz ZJVJERPWBYKRIN-GXFFZTMASA-N -1 0 319.379 -0.082 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000830058174 805418362 /nfs/dbraw/zinc/41/83/62/805418362.db2.gz KSWKOIFSBWVUBW-WCQYABFASA-N -1 0 318.395 -0.004 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC000830099033 805420597 /nfs/dbraw/zinc/42/05/97/805420597.db2.gz XKGMGJSPHCXMQS-LLVKDONJSA-N -1 0 319.339 -0.133 20 0 DBADRM C/C=C(/C)C(=O)N(C)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001293687286 805440853 /nfs/dbraw/zinc/44/08/53/805440853.db2.gz XQDGIZLZQDKVPZ-ZUYFITGHSA-N -1 0 323.353 -0.285 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC000830988197 805443581 /nfs/dbraw/zinc/44/35/81/805443581.db2.gz WEOCKOFRSRKVTB-UHFFFAOYSA-N -1 0 300.336 -0.108 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000831063242 805444648 /nfs/dbraw/zinc/44/46/48/805444648.db2.gz VLTGUVXCOHCONV-JTQLQIEISA-N -1 0 313.354 -0.260 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000831028907 805444999 /nfs/dbraw/zinc/44/49/99/805444999.db2.gz PUYPLNNMKYDNHQ-VHSXEESVSA-N -1 0 322.383 -0.400 20 0 DBADRM COC(=O)[C@]1(F)CCN(CC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000831092855 805445957 /nfs/dbraw/zinc/44/59/57/805445957.db2.gz BUEMWGMPUHUJNB-AWEZNQCLSA-N -1 0 316.329 -0.103 20 0 DBADRM COC(=O)C1CCN(C(=O)CN2CC[C@](F)(C(=O)[O-])C2)CC1 ZINC000831115385 805446057 /nfs/dbraw/zinc/44/60/57/805446057.db2.gz ZMAWKMMOUJRLFU-CQSZACIVSA-N -1 0 316.329 -0.103 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NC[C@H](O)C1CCOCC1 ZINC000831622480 805459184 /nfs/dbraw/zinc/45/91/84/805459184.db2.gz VILHQHAEKXFXEF-AXFHLTTASA-N -1 0 302.327 -0.997 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NC[C@@H](O)C1CCOCC1 ZINC000831621568 805459479 /nfs/dbraw/zinc/45/94/79/805459479.db2.gz NXCSSWRYAOFHMR-VHSXEESVSA-N -1 0 304.368 -0.057 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C(C)(C)C ZINC001294210677 805473173 /nfs/dbraw/zinc/47/31/73/805473173.db2.gz LJLMAPPAIQMZEA-UHFFFAOYSA-N -1 0 311.342 -0.093 20 0 DBADRM O=C([O-])NC[C@H]1CCN(C(=O)NCc2nnnn2C2CC2)C1 ZINC000832589250 805484795 /nfs/dbraw/zinc/48/47/95/805484795.db2.gz ILRUETTXSQVHOI-MRVPVSSYSA-N -1 0 309.330 -0.193 20 0 DBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC000832647995 805484827 /nfs/dbraw/zinc/48/48/27/805484827.db2.gz SZIQMIIAWVOKRL-NSHDSACASA-N -1 0 323.353 -0.495 20 0 DBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC000832647994 805485270 /nfs/dbraw/zinc/48/52/70/805485270.db2.gz SZIQMIIAWVOKRL-LLVKDONJSA-N -1 0 323.353 -0.495 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000832735524 805489041 /nfs/dbraw/zinc/48/90/41/805489041.db2.gz GRJBZRCPRZRRNY-GFCCVEGCSA-N -1 0 305.334 -0.171 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](C)NC(=O)CCc1ccccc1 ZINC000832753829 805490066 /nfs/dbraw/zinc/49/00/66/805490066.db2.gz VJFUOUVCOQEASO-LLVKDONJSA-N -1 0 307.350 -0.082 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000832757602 805490784 /nfs/dbraw/zinc/49/07/84/805490784.db2.gz IGKJXEYSIHBWGU-OAHLLOKOSA-N -1 0 321.377 -0.022 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](c1ccccc1)N1CCN(C)CC1 ZINC000832769922 805491573 /nfs/dbraw/zinc/49/15/73/805491573.db2.gz PEOCLOZUCZIVNV-OAHLLOKOSA-N -1 0 320.393 -0.231 20 0 DBADRM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCC(=O)[N-]OC ZINC000832769392 805491843 /nfs/dbraw/zinc/49/18/43/805491843.db2.gz GFHSUBDIKDYAHV-RKDXNWHRSA-N -1 0 303.384 -0.272 20 0 DBADRM CO[N-]C(=O)CNC(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000832773631 805491880 /nfs/dbraw/zinc/49/18/80/805491880.db2.gz WXGPHRVVKWIMAV-SECBINFHSA-N -1 0 307.306 -0.406 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000832769404 805492014 /nfs/dbraw/zinc/49/20/14/805492014.db2.gz GONGWGJXCXDMTQ-SNVBAGLBSA-N -1 0 315.395 -0.128 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N[C@@H](CC(=O)[O-])C1CC1)c2=O ZINC000833063059 805494510 /nfs/dbraw/zinc/49/45/10/805494510.db2.gz VJHCUPFLLMZPIU-JTQLQIEISA-N -1 0 319.321 -0.501 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)C(=O)[O-] ZINC000833517426 805495085 /nfs/dbraw/zinc/49/50/85/805495085.db2.gz AYIXRLIZGFWYBT-GRYCIOLGSA-N -1 0 320.411 -0.432 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)C(=O)[O-] ZINC000833517428 805495359 /nfs/dbraw/zinc/49/53/59/805495359.db2.gz AYIXRLIZGFWYBT-UTUOFQBUSA-N -1 0 320.411 -0.432 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCCC2(C1)OCCO2 ZINC000834196183 805496156 /nfs/dbraw/zinc/49/61/56/805496156.db2.gz HYCFZLNSTUKVLG-VIFPVBQESA-N -1 0 315.326 -0.828 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCC3(CNC(=O)C3)CC2)C1 ZINC000834157664 805496160 /nfs/dbraw/zinc/49/61/60/805496160.db2.gz KOPSALWLEAPGMZ-JTQLQIEISA-N -1 0 310.354 -0.586 20 0 DBADRM COC(=O)CCNC(=O)CN1CCN(C(=O)[O-])[C@H](C)[C@@H]1C ZINC000833880470 805496178 /nfs/dbraw/zinc/49/61/78/805496178.db2.gz XUVQVGXOESZRRB-VHSXEESVSA-N -1 0 301.343 -0.262 20 0 DBADRM COC(=O)CCNC(=O)CN1CCN(C(=O)[O-])[C@@H](C)[C@@H]1C ZINC000833880468 805496289 /nfs/dbraw/zinc/49/62/89/805496289.db2.gz XUVQVGXOESZRRB-UWVGGRQHSA-N -1 0 301.343 -0.262 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCC(Cn3ccnn3)CC2)C1 ZINC000834159161 805496370 /nfs/dbraw/zinc/49/63/70/805496370.db2.gz XYKUYVONCITSLU-GFCCVEGCSA-N -1 0 322.369 -0.184 20 0 DBADRM Cn1cc([C@H]2CN(CN3C[C@@H](NC(=O)[O-])CC3=O)CCO2)cn1 ZINC000833948002 805496473 /nfs/dbraw/zinc/49/64/73/805496473.db2.gz RLRRFHFZETVQHC-NWDGAFQWSA-N -1 0 323.353 -0.381 20 0 DBADRM O=C([O-])N1CC(NC(=O)NC[C@@H]2COC3(CCOCC3)O2)C1 ZINC000834039341 805496609 /nfs/dbraw/zinc/49/66/09/805496609.db2.gz YTWCFFSHRJUYRF-SNVBAGLBSA-N -1 0 315.326 -0.430 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)CC(=O)N(C)C)C2)c1[O-] ZINC001294727677 805504446 /nfs/dbraw/zinc/50/44/46/805504446.db2.gz RSGTVLXNKFPISH-VIFPVBQESA-N -1 0 323.353 -0.767 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)[N-]OCC(C)(C)O ZINC000834618352 805513639 /nfs/dbraw/zinc/51/36/39/805513639.db2.gz MHMQDDFXAOVGFW-SNVBAGLBSA-N -1 0 308.400 -0.089 20 0 DBADRM CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000835530830 805520621 /nfs/dbraw/zinc/52/06/21/805520621.db2.gz ATRWTNLEQFWKLE-VIFPVBQESA-N -1 0 324.424 -0.201 20 0 DBADRM CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000835530829 805520856 /nfs/dbraw/zinc/52/08/56/805520856.db2.gz ATRWTNLEQFWKLE-SECBINFHSA-N -1 0 324.424 -0.201 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccn1 ZINC000835218316 805520885 /nfs/dbraw/zinc/52/08/85/805520885.db2.gz FVDVCEPVIRBACZ-SNVBAGLBSA-N -1 0 317.367 -0.212 20 0 DBADRM CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000835532071 805521070 /nfs/dbraw/zinc/52/10/70/805521070.db2.gz RPPHDBXCLPIBHE-JTQLQIEISA-N -1 0 318.395 -0.130 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000836902736 805529460 /nfs/dbraw/zinc/52/94/60/805529460.db2.gz UITXCKDKOSXHQG-QWRGUYRKSA-N -1 0 308.400 -0.135 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1Cc2cccc(C)c2O1 ZINC000838798302 805545593 /nfs/dbraw/zinc/54/55/93/805545593.db2.gz RGBXQOPRQKFKHH-SNVBAGLBSA-N -1 0 313.331 -0.082 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cnc(OC)c(Cl)c1 ZINC000838800358 805546103 /nfs/dbraw/zinc/54/61/03/805546103.db2.gz ZFHYLWZZBVFPEO-UHFFFAOYSA-N -1 0 322.726 -0.024 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCNC(=O)OC(C)(C)C ZINC000838805007 805547206 /nfs/dbraw/zinc/54/72/06/805547206.db2.gz XVWMOYLRGDFTKE-UHFFFAOYSA-N -1 0 324.355 -0.480 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccnc(N(C)C)c1 ZINC000838847433 805547338 /nfs/dbraw/zinc/54/73/38/805547338.db2.gz WBZBKXSKTNNOKS-UHFFFAOYSA-N -1 0 315.351 -0.230 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)C2CCC2)CC1 ZINC000838972130 805547805 /nfs/dbraw/zinc/54/78/05/805547805.db2.gz PSXVYAXZEVUUCM-JTQLQIEISA-N -1 0 317.411 -0.052 20 0 DBADRM CN(C)c1cc(C(=O)[N-]S(=O)(=O)c2cn(C)cn2)ccn1 ZINC000838991173 805548184 /nfs/dbraw/zinc/54/81/84/805548184.db2.gz JOXHLIJXQQOKPS-UHFFFAOYSA-N -1 0 309.351 0.000 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1cn(C)nn1 ZINC000838891984 805548335 /nfs/dbraw/zinc/54/83/35/805548335.db2.gz BPXYTMPYKGLZJI-VIFPVBQESA-N -1 0 318.355 -0.394 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CC1OCCO1 ZINC000838894145 805548510 /nfs/dbraw/zinc/54/85/10/805548510.db2.gz KIMBYFAGWSXISS-VIFPVBQESA-N -1 0 323.367 -0.073 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cccn1C ZINC000839063617 805549409 /nfs/dbraw/zinc/54/94/09/805549409.db2.gz ARDVUFWUUJAIMV-JTQLQIEISA-N -1 0 301.368 -0.449 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)c2cn(C)c(C)n2)nn1 ZINC000839016373 805549782 /nfs/dbraw/zinc/54/97/82/805549782.db2.gz BBXZSCXSPVPTIF-UHFFFAOYSA-N -1 0 312.355 -0.151 20 0 DBADRM O=C(Cn1ncc2ccccc2c1=O)NCc1nc(=O)o[n-]1 ZINC001295430676 805555002 /nfs/dbraw/zinc/55/50/02/805555002.db2.gz RNRBMOFOQXOQLM-UHFFFAOYSA-N -1 0 301.262 -0.611 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H](CO)[C@@H](C)O ZINC000839799651 805559782 /nfs/dbraw/zinc/55/97/82/805559782.db2.gz ZWSONFJGBGYGDV-PRJMDXOYSA-N -1 0 300.277 -0.453 20 0 DBADRM CC(C)(O)CO[N-]C(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC000839740926 805560220 /nfs/dbraw/zinc/56/02/20/805560220.db2.gz LJGUMRCYBAPGOW-UHFFFAOYSA-N -1 0 320.342 -0.077 20 0 DBADRM O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1cc(=O)[nH][n-]1 ZINC000839866136 805561300 /nfs/dbraw/zinc/56/13/00/805561300.db2.gz BSXYTEOVYLBFQW-SNVBAGLBSA-N -1 0 304.281 -0.077 20 0 DBADRM CC(C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)=C1CCC1 ZINC001295481688 805561582 /nfs/dbraw/zinc/56/15/82/805561582.db2.gz RJESAEBAZQJQLD-QMMMGPOBSA-N -1 0 323.353 -0.189 20 0 DBADRM CCOC(=O)N1CC[C@@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000840988870 805571068 /nfs/dbraw/zinc/57/10/68/805571068.db2.gz PHRKIVFHHGWIFJ-NXEZZACHSA-N -1 0 315.326 -0.288 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001324762968 807004231 /nfs/dbraw/zinc/00/42/31/807004231.db2.gz DRSWHYFPQOLSMQ-UHFFFAOYSA-N -1 0 316.273 -0.054 20 0 DBADRM O=C(NCc1cccnc1-n1cccn1)c1n[nH]c(=O)[n-]c1=O ZINC001324783634 807006166 /nfs/dbraw/zinc/00/61/66/807006166.db2.gz GDRLBYUCWYIDAR-UHFFFAOYSA-N -1 0 313.277 -0.207 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC001324885598 807013665 /nfs/dbraw/zinc/01/36/65/807013665.db2.gz GIOGUSOKXABJGT-UHFFFAOYSA-N -1 0 317.323 -0.882 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)C(=O)[N-]OCCOC)cc1 ZINC001324887384 807014104 /nfs/dbraw/zinc/01/41/04/807014104.db2.gz YXEYPQYLWNLVMS-UHFFFAOYSA-N -1 0 309.322 -0.392 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000883637002 807018797 /nfs/dbraw/zinc/01/87/97/807018797.db2.gz FLNWBHCNTJYHNS-GARJFASQSA-N -1 0 316.354 -0.572 20 0 DBADRM O=C(C[C@@H]1C=CCC1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001325173371 807045097 /nfs/dbraw/zinc/04/50/97/807045097.db2.gz BXMYGZDVMNXQHQ-SNVBAGLBSA-N -1 0 307.354 -0.471 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])C[C@@H](C)C1(F)F ZINC000884477544 807050636 /nfs/dbraw/zinc/05/06/36/807050636.db2.gz AFRNQRLJFSFKIN-RKDXNWHRSA-N -1 0 322.308 -0.047 20 0 DBADRM C[C@H]1CSCCN(C(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC000884474562 807050657 /nfs/dbraw/zinc/05/06/57/807050657.db2.gz FDIWUWHQUIKNNH-SECBINFHSA-N -1 0 304.368 -0.585 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)C(C)(C)NS(C)(=O)=O ZINC001325265509 807056309 /nfs/dbraw/zinc/05/63/09/807056309.db2.gz PTOBFEBGMGPWHA-UHFFFAOYSA-N -1 0 310.372 -0.296 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CSC[C@@H]3C2)CCO1 ZINC000887052388 807146537 /nfs/dbraw/zinc/14/65/37/807146537.db2.gz UBIJTQZKYPSGFV-AEJSXWLSSA-N -1 0 314.363 -0.880 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC[C@@H]1C(=O)[O-] ZINC000887051960 807147187 /nfs/dbraw/zinc/14/71/87/807147187.db2.gz FJEBAOCMYPTFOW-SJHCENCUSA-N -1 0 324.377 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000887325587 807155711 /nfs/dbraw/zinc/15/57/11/807155711.db2.gz UPRNLSXXUWNSLB-MNOVXSKESA-N -1 0 318.395 -0.019 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])C1 ZINC000887305797 807155805 /nfs/dbraw/zinc/15/58/05/807155805.db2.gz AAKQRSSLFLGDOR-QOBDMFJFSA-N -1 0 322.361 -0.175 20 0 DBADRM NC(=O)CC1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001326188528 807158272 /nfs/dbraw/zinc/15/82/72/807158272.db2.gz QVOJFYXKBXTNPM-UHFFFAOYSA-N -1 0 305.290 -0.343 20 0 DBADRM Nc1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cc(Cl)n1 ZINC001326395905 807176851 /nfs/dbraw/zinc/17/68/51/807176851.db2.gz AEJSNDRHOJYCIS-UHFFFAOYSA-N -1 0 323.744 -0.046 20 0 DBADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CC2(C1)NC(=O)NC2=O ZINC000889303161 807191831 /nfs/dbraw/zinc/19/18/31/807191831.db2.gz AWDJZGOQHBJVOO-UHFFFAOYSA-N -1 0 315.207 -0.157 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](n3cncn3)C2)C1 ZINC001326547551 807192523 /nfs/dbraw/zinc/19/25/23/807192523.db2.gz PCWZQJRPVFMULZ-OUAUKWLOSA-N -1 0 321.337 -0.579 20 0 DBADRM O=C([N-]OCCOc1ccccc1)[C@H]1CCS(=O)(=O)N1 ZINC000889443390 807195740 /nfs/dbraw/zinc/19/57/40/807195740.db2.gz DHODLLMNZINPFL-LLVKDONJSA-N -1 0 300.336 -0.195 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(Cl)nc1 ZINC001326664894 807203997 /nfs/dbraw/zinc/20/39/97/807203997.db2.gz XAKRFPIQTQOZAL-UHFFFAOYSA-N -1 0 314.729 -0.465 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)nnn2C ZINC001326791595 807212324 /nfs/dbraw/zinc/21/23/24/807212324.db2.gz YSXJCUGIHCQLQQ-UHFFFAOYSA-N -1 0 320.309 -0.909 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1nccn1C(F)F)C(=O)[O-] ZINC001326807368 807214896 /nfs/dbraw/zinc/21/48/96/807214896.db2.gz NEHALRXASDDGKH-LURJTMIESA-N -1 0 304.253 -0.269 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC001327015358 807232701 /nfs/dbraw/zinc/23/27/01/807232701.db2.gz DTJFHNQMSFTFDO-VIFPVBQESA-N -1 0 301.343 -0.756 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCCO[C@@H]1CCOC1 ZINC001327108885 807242453 /nfs/dbraw/zinc/24/24/53/807242453.db2.gz YEJNMODFLJRBFV-VXGBXAGGSA-N -1 0 316.354 -0.618 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCc2nnc3n2CCC3)CCC1 ZINC001327472395 807288599 /nfs/dbraw/zinc/28/85/99/807288599.db2.gz QTWDJEJVHVVCCF-UHFFFAOYSA-N -1 0 321.337 -0.788 20 0 DBADRM Cc1cnn(C)c1NC(=O)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001327478397 807289780 /nfs/dbraw/zinc/28/97/80/807289780.db2.gz FSPKGTRTXUAMSZ-VIFPVBQESA-N -1 0 320.309 -0.657 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)Cc1ccsc1 ZINC001327494206 807292755 /nfs/dbraw/zinc/29/27/55/807292755.db2.gz DPQUMJRWCJOUPQ-SECBINFHSA-N -1 0 313.379 -0.021 20 0 DBADRM C[S@](=O)C1(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)CCC1 ZINC001327514903 807297186 /nfs/dbraw/zinc/29/71/86/807297186.db2.gz UFEBUZVLFOLWIK-CWKPULSASA-N -1 0 318.395 -0.512 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001327584901 807308007 /nfs/dbraw/zinc/30/80/07/807308007.db2.gz AXGQGEDDYRZYCR-UHFFFAOYSA-N -1 0 321.399 -0.770 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(CS(N)(=O)=O)cc1 ZINC001327593859 807310017 /nfs/dbraw/zinc/31/00/17/807310017.db2.gz WUBDKRACOXMPOZ-LBPRGKRZSA-N -1 0 316.335 -0.097 20 0 DBADRM O=C([O-])[C@H]1COCCN1c1ccnc(C(=O)N2CCOCC2)c1 ZINC000900945377 807334571 /nfs/dbraw/zinc/33/45/71/807334571.db2.gz KDVDZRFWNJOHMG-CYBMUJFWSA-N -1 0 321.333 -0.156 20 0 DBADRM O=C([O-])[C@@H]1COCCN1c1cc(N2CCC[C@H](CO)C2)ncn1 ZINC000900943257 807335093 /nfs/dbraw/zinc/33/50/93/807335093.db2.gz FCXAMFNBLFAGBN-RYUDHWBXSA-N -1 0 322.365 -0.025 20 0 DBADRM C[C@H](O)[C@@H]1CCN(c2cc(N3CCOC[C@H]3C(=O)[O-])ncn2)C1 ZINC000900942731 807335251 /nfs/dbraw/zinc/33/52/51/807335251.db2.gz CEMDXGIEPNHFDI-TUAOUCFPSA-N -1 0 322.365 -0.027 20 0 DBADRM COCCNC(=O)C1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC001327769944 807335361 /nfs/dbraw/zinc/33/53/61/807335361.db2.gz IVBJZINQQBHFBN-UHFFFAOYSA-N -1 0 310.354 -0.260 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)CCc1cn(C)nn1 ZINC001327811044 807340029 /nfs/dbraw/zinc/34/00/29/807340029.db2.gz AJAKDKKIWSESHD-UHFFFAOYSA-N -1 0 304.372 -0.380 20 0 DBADRM CN[C@@H](C(=O)[N-]S(=O)(=O)CC(F)(F)F)c1cnn(C)c1 ZINC000901031360 807341707 /nfs/dbraw/zinc/34/17/07/807341707.db2.gz XBEDRNJZLDOBFQ-SSDOTTSWSA-N -1 0 314.289 -0.311 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1ccnc2c1CCN2 ZINC000901039771 807342567 /nfs/dbraw/zinc/34/25/67/807342567.db2.gz JBKHJYAYACMTJU-SECBINFHSA-N -1 0 311.363 -0.173 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(F)n1 ZINC001327856614 807348736 /nfs/dbraw/zinc/34/87/36/807348736.db2.gz UWGNBTJGFRHYJP-QMMMGPOBSA-N -1 0 302.283 -0.456 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC000901572684 807364345 /nfs/dbraw/zinc/36/43/45/807364345.db2.gz RELRENXMALGMQU-NEPJUHHUSA-N -1 0 304.302 -0.174 20 0 DBADRM COCCOCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001327979836 807364478 /nfs/dbraw/zinc/36/44/78/807364478.db2.gz YUFGPOUCYFZBLW-JTQLQIEISA-N -1 0 321.355 -0.872 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@]2(C3CCCC3)CCNC2=O)CCO1 ZINC000901451709 807364805 /nfs/dbraw/zinc/36/48/05/807364805.db2.gz KPUVRAHFVBNYCT-NHYWBVRUSA-N -1 0 310.350 -0.005 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N3CCC[C@H]3C(=O)[O-])CC2=O)cn1 ZINC000901441432 807364825 /nfs/dbraw/zinc/36/48/25/807364825.db2.gz BIMMSDMFOPTXGO-ONGXEEELSA-N -1 0 306.322 -0.151 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@]2(C3CCCC3)CCNC2=O)CCO1 ZINC000901451712 807364974 /nfs/dbraw/zinc/36/49/74/807364974.db2.gz KPUVRAHFVBNYCT-XHDPSFHLSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])C1(C(=O)NCC(=O)N2CCOCC2)CCSCC1 ZINC000901609834 807365317 /nfs/dbraw/zinc/36/53/17/807365317.db2.gz NVAXDJASADWZEC-UHFFFAOYSA-N -1 0 316.379 -0.441 20 0 DBADRM CN(C)C(=O)NCCN(C)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC000901625793 807365644 /nfs/dbraw/zinc/36/56/44/807365644.db2.gz UJSIDXMUHLDYCZ-GHMZBOCLSA-N -1 0 315.370 -0.014 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000901727163 807365915 /nfs/dbraw/zinc/36/59/15/807365915.db2.gz YXXFSZICUBPQLE-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@H](OC)C(=O)[O-])C1 ZINC000901704869 807366107 /nfs/dbraw/zinc/36/61/07/807366107.db2.gz LXZRZSDZLXQLFH-WKEGUHRASA-N -1 0 312.244 -0.387 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000901747405 807366182 /nfs/dbraw/zinc/36/61/82/807366182.db2.gz HMAWPJTWCFKDOV-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000901817247 807366296 /nfs/dbraw/zinc/36/62/96/807366296.db2.gz KNNGAOJTFYGKBT-NKWVEPMBSA-N -1 0 312.244 -0.292 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCN(C3CC3)C(=O)C2)c1=O ZINC000901780358 807366443 /nfs/dbraw/zinc/36/64/43/807366443.db2.gz QDQPSHDSSPPGEQ-UHFFFAOYSA-N -1 0 319.317 -0.620 20 0 DBADRM COCCN(CCF)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC000902055340 807366881 /nfs/dbraw/zinc/36/68/81/807366881.db2.gz GGTKGKSSYPKXSU-UHFFFAOYSA-N -1 0 300.286 -0.009 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000902060638 807367882 /nfs/dbraw/zinc/36/78/82/807367882.db2.gz RFELUQMSXGMXEP-JRPNMDOOSA-N -1 0 310.350 -0.055 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000902147280 807369037 /nfs/dbraw/zinc/36/90/37/807369037.db2.gz LYFIFUCPCCRJGH-LLVKDONJSA-N -1 0 318.395 -0.020 20 0 DBADRM COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)CSCC(=O)[O-] ZINC000902273068 807371910 /nfs/dbraw/zinc/37/19/10/807371910.db2.gz YSCPSNZALQXKPV-UFBFGSQYSA-N -1 0 305.352 -0.017 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C2(C(=O)NC3CC3)CC2)C1 ZINC000902316025 807371952 /nfs/dbraw/zinc/37/19/52/807371952.db2.gz HZTQFFJJYNRHIV-AWEZNQCLSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)C1 ZINC000902544342 807375042 /nfs/dbraw/zinc/37/50/42/807375042.db2.gz ZYUCKDIDZFBTGT-QCNOEVLYSA-N -1 0 310.350 -0.007 20 0 DBADRM CCN1CCO[C@@H](C(=O)N(CCC(=O)OC)CC(=O)[O-])C1 ZINC000902716810 807380263 /nfs/dbraw/zinc/38/02/63/807380263.db2.gz MLKKQYNFCJLBON-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cccn3nccc23)CC1 ZINC000902770346 807381220 /nfs/dbraw/zinc/38/12/20/807381220.db2.gz JNEQQQZJOMJJLM-UHFFFAOYSA-N -1 0 302.290 -0.297 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC000902773336 807381913 /nfs/dbraw/zinc/38/19/13/807381913.db2.gz QVJHGXAMMPGERY-NWDGAFQWSA-N -1 0 310.350 -0.196 20 0 DBADRM Cc1ccn([C@H](C)CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC000902771362 807382028 /nfs/dbraw/zinc/38/20/28/807382028.db2.gz DNGXOWZXDXCJSW-LLVKDONJSA-N -1 0 308.338 -0.102 20 0 DBADRM CCO[C@@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)[C@@H]1CCOC1 ZINC000902773688 807382072 /nfs/dbraw/zinc/38/20/72/807382072.db2.gz WIOZBRCXFIPTOE-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM Cc1c(CCC(=O)N2CCN(C(=O)C(=O)[O-])CC2)cnn1C ZINC000902774223 807382087 /nfs/dbraw/zinc/38/20/87/807382087.db2.gz ADZWNBZBERJKGX-UHFFFAOYSA-N -1 0 308.338 -0.583 20 0 DBADRM C[C@H]1CCn2cc(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)nc2C1 ZINC000902773407 807382092 /nfs/dbraw/zinc/38/20/92/807382092.db2.gz RQJGYJKUEIRUNF-JTQLQIEISA-N -1 0 320.349 -0.166 20 0 DBADRM Cc1nn(C)cc1CN1c2c(cnn2C)C([O-])=CS1(=O)=O ZINC000902834588 807382616 /nfs/dbraw/zinc/38/26/16/807382616.db2.gz ZFDZVYBHYZKMTO-UHFFFAOYSA-N -1 0 309.351 -0.005 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC000902782219 807382624 /nfs/dbraw/zinc/38/26/24/807382624.db2.gz ABPWCDLOSIUDIV-AWEZNQCLSA-N -1 0 311.338 -1.000 20 0 DBADRM CCN(C)C(=O)CN1c2c(cnn2C)C([O-])=CS1(=O)=O ZINC000902833447 807382945 /nfs/dbraw/zinc/38/29/45/807382945.db2.gz BVUFMYLXTVAYHD-UHFFFAOYSA-N -1 0 300.340 -0.769 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NS(=O)(=O)N3CCOCC3)[C@@H]2C1 ZINC000903537973 807393996 /nfs/dbraw/zinc/39/39/96/807393996.db2.gz JGMOUWDJGCQLBP-YTWAJWBKSA-N -1 0 304.368 -0.348 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N[C@H](CO)C2CC2)n1 ZINC001328332652 807412863 /nfs/dbraw/zinc/41/28/63/807412863.db2.gz BEYHIGWYITYYLU-SECBINFHSA-N -1 0 324.337 -0.472 20 0 DBADRM CO[C@@](C)(C(=O)[N-]S(=O)(=O)N(C)C)C(=O)OC(C)(C)C ZINC001328333604 807412915 /nfs/dbraw/zinc/41/29/15/807412915.db2.gz MSDIUUIDTNUCHS-NSHDSACASA-N -1 0 310.372 -0.344 20 0 DBADRM CCC1(Cn2cc(C(=O)[N-]N3CC(=O)N(C)C3=O)nn2)COC1 ZINC001328343884 807414767 /nfs/dbraw/zinc/41/47/67/807414767.db2.gz AWKQTQMERMUQAY-UHFFFAOYSA-N -1 0 322.325 -0.757 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000904937260 807427859 /nfs/dbraw/zinc/42/78/59/807427859.db2.gz WSZWWYOLHWYYCH-QWRGUYRKSA-N -1 0 316.354 -0.428 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CC(C)(COC)C1 ZINC000904942362 807427864 /nfs/dbraw/zinc/42/78/64/807427864.db2.gz WCSWLHUULBVCFA-UHFFFAOYSA-N -1 0 316.354 -0.569 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@H](C)[C@@H]1C ZINC000904937261 807427893 /nfs/dbraw/zinc/42/78/93/807427893.db2.gz WSZWWYOLHWYYCH-WDEREUQCSA-N -1 0 316.354 -0.428 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@@H]1COC ZINC000904943979 807427949 /nfs/dbraw/zinc/42/79/49/807427949.db2.gz UDMOYHBXAKPHEX-LLVKDONJSA-N -1 0 316.354 -0.427 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCSC[C@@H]1C ZINC000904936798 807428051 /nfs/dbraw/zinc/42/80/51/807428051.db2.gz RIFIPWNPHMJPSD-JTQLQIEISA-N -1 0 318.395 -0.100 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@H](CF)C1 ZINC000904944594 807428516 /nfs/dbraw/zinc/42/85/16/807428516.db2.gz ZSLXHCHKHFNMGO-SNVBAGLBSA-N -1 0 304.318 -0.246 20 0 DBADRM NC(=O)CN1CCC[C@@H](NC(=O)[C@H](C(=O)[O-])C2CCCC2)C1 ZINC001328478805 807431519 /nfs/dbraw/zinc/43/15/19/807431519.db2.gz ROLVGUCEPAIAPU-DGCLKSJQSA-N -1 0 311.382 -0.057 20 0 DBADRM NC(=O)CN1CCC[C@H](NC(=O)[C@H](C(=O)[O-])C2CCCC2)C1 ZINC001328478808 807431542 /nfs/dbraw/zinc/43/15/42/807431542.db2.gz ROLVGUCEPAIAPU-WCQYABFASA-N -1 0 311.382 -0.057 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCO[C@@]3(CCOC3)C2)CCC1 ZINC000905041150 807443675 /nfs/dbraw/zinc/44/36/75/807443675.db2.gz YYIBRJRENFKESV-NSHDSACASA-N -1 0 305.352 -0.185 20 0 DBADRM CCOCCn1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)cn1 ZINC001328591158 807446454 /nfs/dbraw/zinc/44/64/54/807446454.db2.gz QEMVJODXYQXDHG-UHFFFAOYSA-N -1 0 316.383 -0.010 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)C1 ZINC001328639618 807451821 /nfs/dbraw/zinc/45/18/21/807451821.db2.gz WXHUGWVMTIAEDM-OPRDCNLKSA-N -1 0 300.311 -0.862 20 0 DBADRM COC[C@H](NC(=O)N1CCOC[C@H]1C(=O)[O-])[C@H]1CCCOC1 ZINC000905593134 807464658 /nfs/dbraw/zinc/46/46/58/807464658.db2.gz YWRLFDPTKPDSEZ-SRVKXCTJSA-N -1 0 316.354 -0.077 20 0 DBADRM CON1CC[C@H](n2cc(C[N-]C(=O)C(F)(F)F)nn2)C1=O ZINC000905840973 807469905 /nfs/dbraw/zinc/46/99/05/807469905.db2.gz UUHMAUKOMGVGSO-ZETCQYMHSA-N -1 0 307.232 -0.209 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCCc2occc21 ZINC001328882868 807482997 /nfs/dbraw/zinc/48/29/97/807482997.db2.gz CCQSNGYTPWIHAW-JTQLQIEISA-N -1 0 309.322 -0.043 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@H]1C[C@@H](C)O ZINC001329001087 807503712 /nfs/dbraw/zinc/50/37/12/807503712.db2.gz QRSGYEDCYZQCJP-MNOVXSKESA-N -1 0 315.370 -0.678 20 0 DBADRM O=C(N[C@H]1CCc2nnnn2CC1)c1c[n-]n2c1nccc2=O ZINC001329008170 807505290 /nfs/dbraw/zinc/50/52/90/807505290.db2.gz IHZAPGIMFZHWAI-QMMMGPOBSA-N -1 0 314.309 -0.856 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC001329025322 807507293 /nfs/dbraw/zinc/50/72/93/807507293.db2.gz VDTJKPBMSKCNHC-PSIUFMSWSA-N -1 0 310.350 -0.461 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000907024652 807509324 /nfs/dbraw/zinc/50/93/24/807509324.db2.gz MGGUEACDFHXMND-SSDOTTSWSA-N -1 0 301.324 -0.468 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc[nH]c1=O)C(=O)[O-] ZINC001329060377 807512953 /nfs/dbraw/zinc/51/29/53/807512953.db2.gz KAHYWUGIEOVBND-SNVBAGLBSA-N -1 0 309.322 -0.124 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ncnn1C ZINC001329062363 807513098 /nfs/dbraw/zinc/51/30/98/807513098.db2.gz RTCGAYZJYKPTQJ-UTLUCORTSA-N -1 0 323.353 -0.439 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ncnn1C ZINC001329062362 807513198 /nfs/dbraw/zinc/51/31/98/807513198.db2.gz RTCGAYZJYKPTQJ-LPEHRKFASA-N -1 0 323.353 -0.439 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC001329098864 807519569 /nfs/dbraw/zinc/51/95/69/807519569.db2.gz KWMGLQWEOSDEER-UHFFFAOYSA-N -1 0 319.314 -0.308 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC(Cn2cnnc2)CC1)C(=O)[O-] ZINC001329119584 807524050 /nfs/dbraw/zinc/52/40/50/807524050.db2.gz BNVYNJVSVBVXIL-JTQLQIEISA-N -1 0 323.353 -0.646 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907473017 807531147 /nfs/dbraw/zinc/53/11/47/807531147.db2.gz BAXQZDOGLBQRBU-RKDXNWHRSA-N -1 0 310.383 -0.173 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907472491 807531413 /nfs/dbraw/zinc/53/14/13/807531413.db2.gz OEAQZHHWWIJGKU-UWVGGRQHSA-N -1 0 310.383 -0.173 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001329162899 807531593 /nfs/dbraw/zinc/53/15/93/807531593.db2.gz KSOVZFJXLAMGDV-NXEZZACHSA-N -1 0 313.354 -0.850 20 0 DBADRM Cn1cccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)c1=O ZINC000907474405 807531695 /nfs/dbraw/zinc/53/16/95/807531695.db2.gz JYYUULZSOVLHKH-SECBINFHSA-N -1 0 306.351 -0.171 20 0 DBADRM CN(CC(=O)N1CCSC[C@H]1c1nnn[n-]1)C(=O)C1CC1 ZINC000907476554 807531809 /nfs/dbraw/zinc/53/18/09/807531809.db2.gz QQKFGDLEWUUCEJ-VIFPVBQESA-N -1 0 310.383 -0.315 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907473015 807531892 /nfs/dbraw/zinc/53/18/92/807531892.db2.gz BAXQZDOGLBQRBU-DTWKUNHWSA-N -1 0 310.383 -0.173 20 0 DBADRM O=C1NCCN1CC1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000907499941 807534122 /nfs/dbraw/zinc/53/41/22/807534122.db2.gz NCRWUHUWYWHEDE-UHFFFAOYSA-N -1 0 313.383 -0.164 20 0 DBADRM NC(=O)CONC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001329185267 807535293 /nfs/dbraw/zinc/53/52/93/807535293.db2.gz VVUVKJKLIYACRA-UHFFFAOYSA-N -1 0 309.200 -0.395 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@H](C)c1nc(C)no1 ZINC001329212293 807539096 /nfs/dbraw/zinc/53/90/96/807539096.db2.gz OKYWMECBWPVGFO-SSDOTTSWSA-N -1 0 313.314 -0.919 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC000907630109 807542197 /nfs/dbraw/zinc/54/21/97/807542197.db2.gz UNJMOSIZZBIOCD-TWXYISROSA-N -1 0 304.306 -0.217 20 0 DBADRM CN(C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1)S(C)(=O)=O ZINC000907717061 807545759 /nfs/dbraw/zinc/54/57/59/807545759.db2.gz YKPZNQADIDSTHE-GMTAPVOTSA-N -1 0 318.395 -0.163 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cn(CCOC)nn2)C1=O ZINC001329277060 807546628 /nfs/dbraw/zinc/54/66/28/807546628.db2.gz HEERIZZMQOMJHI-LBPRGKRZSA-N -1 0 310.314 -0.710 20 0 DBADRM CO[C@@H]1CCOC[C@H]1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000907841982 807556284 /nfs/dbraw/zinc/55/62/84/807556284.db2.gz ORIKFMWOIQDDHB-NXEZZACHSA-N -1 0 312.413 -0.114 20 0 DBADRM COc1cc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)ncn1 ZINC000907842902 807556451 /nfs/dbraw/zinc/55/64/51/807556451.db2.gz RTJYNSARPUUXES-NXEZZACHSA-N -1 0 306.322 -0.146 20 0 DBADRM CO[C@@H]1CCOC[C@H]1[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000907842861 807556629 /nfs/dbraw/zinc/55/66/29/807556629.db2.gz ZOMVDYFVOUQKPU-OOSSNNJISA-N -1 0 315.417 -0.801 20 0 DBADRM C[C@@H](NC(=O)CN1CSCC1=O)C1(C(=O)[O-])CCOCC1 ZINC000907895924 807559446 /nfs/dbraw/zinc/55/94/46/807559446.db2.gz GJQPJVILEDULSG-SECBINFHSA-N -1 0 316.379 -0.095 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)[N-]OCC(C)(C)O ZINC001329413596 807561483 /nfs/dbraw/zinc/56/14/83/807561483.db2.gz YJFBCVGVKDQZKF-UHFFFAOYSA-N -1 0 317.386 -0.385 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCc2cnn(C)c2)CC[C@@H]1C(=O)[O-] ZINC001329434225 807564619 /nfs/dbraw/zinc/56/46/19/807564619.db2.gz QRYXQMGKRCHYEJ-PWSUYJOCSA-N -1 0 322.365 -0.352 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)n1 ZINC001329432875 807564740 /nfs/dbraw/zinc/56/47/40/807564740.db2.gz IAWSQLDKJXWJNC-UHFFFAOYSA-N -1 0 323.353 -0.326 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCOC[C@H]2CCO)C1 ZINC000908120591 807575232 /nfs/dbraw/zinc/57/52/32/807575232.db2.gz RFBIMXJXVORSLU-QJPTWQEYSA-N -1 0 301.339 -0.134 20 0 DBADRM COC/C=C\C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC ZINC001329562596 807586123 /nfs/dbraw/zinc/58/61/23/807586123.db2.gz XXSJWJIOJJHRAB-WAYWQWQTSA-N -1 0 303.340 -0.255 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@H](S(C)(=O)=O)CC1 ZINC001329637120 807596867 /nfs/dbraw/zinc/59/68/67/807596867.db2.gz SJBFKBOMTLZGDK-JTQLQIEISA-N -1 0 321.399 -0.337 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCN(C(=O)OC)CC1 ZINC001329637882 807597153 /nfs/dbraw/zinc/59/71/53/807597153.db2.gz YQAVQTUTFXTNNX-UHFFFAOYSA-N -1 0 302.331 -0.462 20 0 DBADRM COCCOCCNC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000908894968 807604508 /nfs/dbraw/zinc/60/45/08/807604508.db2.gz YQHLHWHJJHJUDW-GHMZBOCLSA-N -1 0 304.343 -0.077 20 0 DBADRM COCCOCCNC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC000908889313 807604578 /nfs/dbraw/zinc/60/45/78/807604578.db2.gz OQUKRGSCPJTISR-ZWNOBZJWSA-N -1 0 304.343 -0.077 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N2CCSC[C@H]2CC(=O)[O-])cn1 ZINC000909012001 807606252 /nfs/dbraw/zinc/60/62/52/807606252.db2.gz XYFHFNPNNNDGPG-MNOVXSKESA-N -1 0 313.379 -0.258 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1cncc(N2CCOCC2)c1 ZINC000909054993 807607775 /nfs/dbraw/zinc/60/77/75/807607775.db2.gz BGDYTKBDCWPKDF-ZDUSSCGKSA-N -1 0 321.333 -0.156 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)NC[C@@]1(OC)CCOC1 ZINC000909190359 807610772 /nfs/dbraw/zinc/61/07/72/807610772.db2.gz NVRJCVKKEVNZBF-MFKMUULPSA-N -1 0 304.343 -0.077 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)Cn2nnc3c2CCCC3)CCO1 ZINC000909267991 807612551 /nfs/dbraw/zinc/61/25/51/807612551.db2.gz IOKMWXZAKNAGHR-SNVBAGLBSA-N -1 0 308.338 -0.141 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000909299877 807613565 /nfs/dbraw/zinc/61/35/65/807613565.db2.gz UBEHKQYTUUXJMT-NSHDSACASA-N -1 0 307.372 -0.952 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1nnn(Cc2cc(C)no2)c1C ZINC001329760014 807614906 /nfs/dbraw/zinc/61/49/06/807614906.db2.gz OVUROJOAURSCPU-UHFFFAOYSA-N -1 0 322.325 -0.271 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)CN1CCCCS1(=O)=O ZINC000909735306 807617134 /nfs/dbraw/zinc/61/71/34/807617134.db2.gz XGQUEHVBSKRURS-JTQLQIEISA-N -1 0 304.368 -0.122 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CN(C)S(=O)(=O)N(C)C ZINC000909807934 807617736 /nfs/dbraw/zinc/61/77/36/807617736.db2.gz IFDWHBMQVWKNLY-BDAKNGLRSA-N -1 0 307.372 -0.954 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCCOCCCO ZINC001329808618 807622403 /nfs/dbraw/zinc/62/24/03/807622403.db2.gz YZDNUTRSKSGHEK-UHFFFAOYSA-N -1 0 311.294 -0.767 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1COc2ccc(C)cc21 ZINC001329826792 807625654 /nfs/dbraw/zinc/62/56/54/807625654.db2.gz KYNLSCZHJJXORL-NSHDSACASA-N -1 0 321.333 -0.271 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1COc2ccc(C)cc21 ZINC001329826791 807625789 /nfs/dbraw/zinc/62/57/89/807625789.db2.gz KYNLSCZHJJXORL-LLVKDONJSA-N -1 0 321.333 -0.271 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)C1(OC)CCC1 ZINC001329852439 807631035 /nfs/dbraw/zinc/63/10/35/807631035.db2.gz RLYANJHGEIISQC-SECBINFHSA-N -1 0 301.343 -0.756 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001329858388 807631864 /nfs/dbraw/zinc/63/18/64/807631864.db2.gz RGSKUEDEQHSEPX-WOPDTQHZSA-N -1 0 308.338 -0.500 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](C)O[C@@H](CC)C1 ZINC001329864095 807633869 /nfs/dbraw/zinc/63/38/69/807633869.db2.gz XUYFYWDBZIAZRT-UWVGGRQHSA-N -1 0 301.343 -0.804 20 0 DBADRM CC(=O)Nc1ccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])cn1 ZINC001329953634 807647844 /nfs/dbraw/zinc/64/78/44/807647844.db2.gz ZXKXCYPZVGFGOK-QMMMGPOBSA-N -1 0 322.321 -0.507 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001329963131 807650320 /nfs/dbraw/zinc/65/03/20/807650320.db2.gz LVBUQXHVPRBRKG-GFCCVEGCSA-N -1 0 322.383 -0.642 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O ZINC000923197608 807652416 /nfs/dbraw/zinc/65/24/16/807652416.db2.gz NPROPGBPKFATNQ-SNVBAGLBSA-N -1 0 306.322 -0.449 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001330007385 807658975 /nfs/dbraw/zinc/65/89/75/807658975.db2.gz HKXGQMJFMWAMSN-UWVGGRQHSA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC(CO)CC2)CC[C@@H]1C(=O)[O-] ZINC001330199256 807685026 /nfs/dbraw/zinc/68/50/26/807685026.db2.gz SJELNPPSYXFUPI-JQWIXIFHSA-N -1 0 312.366 -0.214 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001330253538 807690088 /nfs/dbraw/zinc/69/00/88/807690088.db2.gz MNTDXNKOMQYMCR-XQRVVYSFSA-N -1 0 316.335 -0.001 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923732663 807707803 /nfs/dbraw/zinc/70/78/03/807707803.db2.gz WELOMEVKKUDZLQ-INTQDDNPSA-N -1 0 318.395 -0.165 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001330485934 807721757 /nfs/dbraw/zinc/72/17/57/807721757.db2.gz ARVQCIIEOGRSFP-HDLKOFKZSA-N -1 0 310.350 -0.390 20 0 DBADRM COC[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000926275387 807755912 /nfs/dbraw/zinc/75/59/12/807755912.db2.gz AYKAMFRICSFYAO-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCOC[C@@H]2CC2CC2)C1 ZINC000926276090 807756360 /nfs/dbraw/zinc/75/63/60/807756360.db2.gz GNCBWYZOZGZVTI-NEPJUHHUSA-N -1 0 310.350 -0.053 20 0 DBADRM COC[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000926276447 807757448 /nfs/dbraw/zinc/75/74/48/807757448.db2.gz JJHJYKUCMBVLHV-GMTAPVOTSA-N -1 0 314.338 -0.961 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@@H](CO)C2)C1 ZINC000926327326 807759803 /nfs/dbraw/zinc/75/98/03/807759803.db2.gz UYMYUUIIMCKLPI-ABAIWWIYSA-N -1 0 312.366 -0.069 20 0 DBADRM CCCNC(=O)[C@H]1CCCN(C(=O)NCC(=O)[N-]OC)C1 ZINC000927209126 807783451 /nfs/dbraw/zinc/78/34/51/807783451.db2.gz WYRZFOGXLMONKO-JTQLQIEISA-N -1 0 300.359 -0.388 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000927210338 807783528 /nfs/dbraw/zinc/78/35/28/807783528.db2.gz CPYPQXZOWUHZBE-CYBMUJFWSA-N -1 0 311.342 -0.645 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(Cc2cc(C)on2)CC1 ZINC000927208102 807783945 /nfs/dbraw/zinc/78/39/45/807783945.db2.gz WIHAVSIKCMBTHD-UHFFFAOYSA-N -1 0 311.342 -0.512 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000927206957 807783997 /nfs/dbraw/zinc/78/39/97/807783997.db2.gz IXUBKIBCJGHETA-NSHDSACASA-N -1 0 314.386 -0.142 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000927211801 807784385 /nfs/dbraw/zinc/78/43/85/807784385.db2.gz OLHYZEVSRBRCSQ-GFCCVEGCSA-N -1 0 320.349 -0.063 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC(C2(C)OCCO2)CC1 ZINC000927213405 807784394 /nfs/dbraw/zinc/78/43/94/807784394.db2.gz SUAFKOXEZMCMPI-UHFFFAOYSA-N -1 0 301.343 -0.151 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000927211425 807784466 /nfs/dbraw/zinc/78/44/66/807784466.db2.gz CQIVVCNAUGVPFX-UHFFFAOYSA-N -1 0 322.369 -0.397 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000927213313 807784684 /nfs/dbraw/zinc/78/46/84/807784684.db2.gz ATMUVABQCFFLLC-ZWNOBZJWSA-N -1 0 301.343 -0.357 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000927216903 807785463 /nfs/dbraw/zinc/78/54/63/807785463.db2.gz UBTFJROJZKPEJA-ZDUSSCGKSA-N -1 0 320.349 -0.145 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000927214578 807785741 /nfs/dbraw/zinc/78/57/41/807785741.db2.gz OWXKNGWCFCZCOB-CWSCBRNRSA-N -1 0 301.343 -0.358 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000927215927 807785955 /nfs/dbraw/zinc/78/59/55/807785955.db2.gz SATYFZAPHJEDKP-HTQZYQBOSA-N -1 0 313.276 -0.134 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CC(=O)NC[C@H]1c1ccccc1 ZINC000927219512 807786493 /nfs/dbraw/zinc/78/64/93/807786493.db2.gz SZYSRFOGOUKFIU-NSHDSACASA-N -1 0 306.322 -0.453 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000927217029 807786881 /nfs/dbraw/zinc/78/68/81/807786881.db2.gz IQEUYTFZADIYNT-UHFFFAOYSA-N -1 0 312.305 -0.875 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCc1cccc2c1OCCO2 ZINC000927219302 807786987 /nfs/dbraw/zinc/78/69/87/807786987.db2.gz PWYPVKWKSYCJQV-UHFFFAOYSA-N -1 0 309.322 -0.023 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCCCn2cncn2)C1 ZINC001331521395 807795561 /nfs/dbraw/zinc/79/55/61/807795561.db2.gz VOQDQLXFXPEDOQ-ZJUUUORDSA-N -1 0 309.326 -0.846 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCO[C@@H](CCF)C1)C(=O)[O-] ZINC000927956343 807800592 /nfs/dbraw/zinc/80/05/92/807800592.db2.gz ALZPMWKSPXULLL-UWVGGRQHSA-N -1 0 304.318 -0.200 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCS1 ZINC000927963377 807801022 /nfs/dbraw/zinc/80/10/22/807801022.db2.gz INHLRLHQDDNOIQ-BBBLOLIVSA-N -1 0 316.379 -0.301 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCS1 ZINC000927963378 807801081 /nfs/dbraw/zinc/80/10/81/807801081.db2.gz INHLRLHQDDNOIQ-KXUCPTDWSA-N -1 0 316.379 -0.301 20 0 DBADRM CN(C)S(=O)(=O)[N-]C(=O)[C@]1(C2CCCC2)CCNC1=O ZINC001331692821 807816359 /nfs/dbraw/zinc/81/63/59/807816359.db2.gz AONBSGJLIFLOGC-LBPRGKRZSA-N -1 0 303.384 -0.395 20 0 DBADRM CN1C(=O)CN(CC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC001331722836 807820954 /nfs/dbraw/zinc/82/09/54/807820954.db2.gz ZXKMZOMQYUORRI-MRVPVSSYSA-N -1 0 322.325 -0.890 20 0 DBADRM Cc1noc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)n1 ZINC001331730595 807822418 /nfs/dbraw/zinc/82/24/18/807822418.db2.gz MBSZSZLSTQUVEX-VXNVDRBHSA-N -1 0 310.310 -0.437 20 0 DBADRM O=C([O-])CCCCNC(=O)CC1(n2cnnn2)CCOCC1 ZINC001331925436 807851984 /nfs/dbraw/zinc/85/19/84/807851984.db2.gz WBYBLKPXAUJSQH-UHFFFAOYSA-N -1 0 311.342 -0.060 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC001331933398 807852627 /nfs/dbraw/zinc/85/26/27/807852627.db2.gz ATHIRIFDENHLTP-TUAOUCFPSA-N -1 0 300.355 -0.154 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)NCc2ncccn2)CC1 ZINC001331950567 807855004 /nfs/dbraw/zinc/85/50/04/807855004.db2.gz VBBBSTOWYXHUGR-UHFFFAOYSA-N -1 0 306.322 -0.148 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(CCO)CC2)cc1=O ZINC000930041384 807862181 /nfs/dbraw/zinc/86/21/81/807862181.db2.gz SUFPDMCXRKEQTC-UHFFFAOYSA-N -1 0 310.398 -0.489 20 0 DBADRM COCCCOCC(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001332172615 807880227 /nfs/dbraw/zinc/88/02/27/807880227.db2.gz PTKRVXAHXRKNHE-OAQYLSRUSA-N -1 0 321.395 -0.136 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC2(CNC(=O)O2)CC1 ZINC001332275177 807892947 /nfs/dbraw/zinc/89/29/47/807892947.db2.gz SYFAUGZLSVNKRM-UHFFFAOYSA-N -1 0 300.315 -0.662 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1)C(=O)[O-] ZINC001332340049 807901579 /nfs/dbraw/zinc/90/15/79/807901579.db2.gz VDAPRKXNBSEMFM-UWVGGRQHSA-N -1 0 324.337 -0.163 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NCCn2cncn2)CC1 ZINC001332393318 807911981 /nfs/dbraw/zinc/91/19/81/807911981.db2.gz ZXSTWZOTOFOGRS-UHFFFAOYSA-N -1 0 309.326 -0.892 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cc[nH]c(=O)c1 ZINC001038151309 815158420 /nfs/dbraw/zinc/15/84/20/815158420.db2.gz HAMFORIBHLXEBU-VIFPVBQESA-N -1 0 304.310 -0.385 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2CC(=O)N2CCCC2)c1[O-] ZINC001038161812 815159827 /nfs/dbraw/zinc/15/98/27/815159827.db2.gz QUFDHXRUGBSFDD-NSHDSACASA-N -1 0 321.381 -0.150 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000931678908 807934418 /nfs/dbraw/zinc/93/44/18/807934418.db2.gz HPZJTAKIMXADIE-WDEREUQCSA-N -1 0 310.358 -0.083 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000931820895 807936625 /nfs/dbraw/zinc/93/66/25/807936625.db2.gz OHGMJBJXCYORBV-QWRGUYRKSA-N -1 0 317.411 -0.623 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@]1(OC(C)C)CCOC1 ZINC000931990771 807950947 /nfs/dbraw/zinc/95/09/47/807950947.db2.gz SMXUKSXDEKWQOF-CYBMUJFWSA-N -1 0 304.343 -0.619 20 0 DBADRM Cc1nc2c(nccc2C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)[nH]1 ZINC001332750270 807973458 /nfs/dbraw/zinc/97/34/58/807973458.db2.gz MFZRIWLCLCLPKR-SECBINFHSA-N -1 0 314.309 -0.007 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CC[C@H](SC)C1 ZINC001332789867 807979177 /nfs/dbraw/zinc/97/91/77/807979177.db2.gz NJMLCPDUIRRQNV-IUCAKERBSA-N -1 0 303.384 -0.429 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(Cl)s1 ZINC001332789479 807979199 /nfs/dbraw/zinc/97/91/99/807979199.db2.gz JKJNKGCQYMHLMQ-UHFFFAOYSA-N -1 0 305.743 -0.189 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1cnn(CC)c1 ZINC001332843613 807986829 /nfs/dbraw/zinc/98/68/29/807986829.db2.gz QDMGCEQHPTUPHA-UHFFFAOYSA-N -1 0 311.342 -0.955 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCSC[C@@H](C)C1 ZINC001332840389 807986915 /nfs/dbraw/zinc/98/69/15/807986915.db2.gz AJVAZEJPFFMHRO-VIFPVBQESA-N -1 0 303.384 -0.618 20 0 DBADRM CCOC(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC001332944824 807999318 /nfs/dbraw/zinc/99/93/18/807999318.db2.gz IGZULNHNQFNVHP-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM CNC(=O)CC1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC001332945821 808000181 /nfs/dbraw/zinc/00/01/81/808000181.db2.gz QLDCIXNKOGBOFF-SECBINFHSA-N -1 0 313.354 -0.802 20 0 DBADRM COc1nn(C)cc1CNC(=O)C(=O)[N-]OCCSC ZINC000933814236 808010250 /nfs/dbraw/zinc/01/02/50/808010250.db2.gz FAGKEBAIPXHPQI-UHFFFAOYSA-N -1 0 302.356 -0.544 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cccc(C(=O)NC)n1 ZINC001333110850 808016939 /nfs/dbraw/zinc/01/69/39/808016939.db2.gz GOJRKYXKIPAJTM-UHFFFAOYSA-N -1 0 315.351 -0.463 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC001333124458 808018154 /nfs/dbraw/zinc/01/81/54/808018154.db2.gz IPKCBOSOMOWGKH-IINYFYTJSA-N -1 0 314.338 -0.628 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)C1(C(=O)[O-])CCC1 ZINC001333137486 808019487 /nfs/dbraw/zinc/01/94/87/808019487.db2.gz UGKGPPOBFPXWHR-LLVKDONJSA-N -1 0 300.355 -0.607 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)C(=O)Nc1ccc2nccn2c1 ZINC001333169822 808023915 /nfs/dbraw/zinc/02/39/15/808023915.db2.gz WJACFFZZOIWAAJ-UHFFFAOYSA-N -1 0 301.266 -0.587 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC001333177150 808024878 /nfs/dbraw/zinc/02/48/78/808024878.db2.gz RDFFTQJFAUZJLJ-KGYLQXTDSA-N -1 0 321.308 -0.626 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001333238163 808032916 /nfs/dbraw/zinc/03/29/16/808032916.db2.gz OZKJFNIESHEQCX-JTQLQIEISA-N -1 0 301.343 -0.945 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCOC[C@H]2CCO)cc1=O ZINC000935125077 808036381 /nfs/dbraw/zinc/03/63/81/808036381.db2.gz SHUCVNFDOIPADM-CYBMUJFWSA-N -1 0 311.382 -0.015 20 0 DBADRM CC[C@@H](CN1CCOCC1)NC(=O)C(=O)[N-]OCC(C)C ZINC001333277940 808038598 /nfs/dbraw/zinc/03/85/98/808038598.db2.gz NTITWEUXLQVKKV-LBPRGKRZSA-N -1 0 301.387 -0.083 20 0 DBADRM NC(=O)CO[N-]C(=O)C1(n2cc(Br)cn2)CC1 ZINC000935225958 808038802 /nfs/dbraw/zinc/03/88/02/808038802.db2.gz KFMANRIRTFQZGF-UHFFFAOYSA-N -1 0 303.116 -0.332 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@@H](C(C)(C)C)C1 ZINC001333295589 808040509 /nfs/dbraw/zinc/04/05/09/808040509.db2.gz JIOHXDIYONEBLX-SECBINFHSA-N -1 0 301.343 -0.946 20 0 DBADRM O=C([O-])COCCNC(=O)CN1CCN(c2ccccn2)CC1 ZINC001333314967 808042981 /nfs/dbraw/zinc/04/29/81/808042981.db2.gz CIVBKOQRGCVBPN-UHFFFAOYSA-N -1 0 322.365 -0.579 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](OC2CCC2)C1 ZINC001333333925 808045005 /nfs/dbraw/zinc/04/50/05/808045005.db2.gz HFCPKKPNRLHDNO-NSHDSACASA-N -1 0 313.354 -0.660 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1Cc2ccccc2[C@@H](C)C1 ZINC001333332846 808045238 /nfs/dbraw/zinc/04/52/38/808045238.db2.gz CDYAYVXHKUUZFQ-JTQLQIEISA-N -1 0 305.334 -0.074 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[C@@H](C2CC2)O1 ZINC001333334957 808046096 /nfs/dbraw/zinc/04/60/96/808046096.db2.gz WWZXIRIYONXVRQ-YJQGPUDQSA-N -1 0 310.350 -0.008 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CC(=O)N(C)C(=O)C2)cc1=O ZINC000935861797 808059699 /nfs/dbraw/zinc/05/96/99/808059699.db2.gz KWXIPVXHIOLNPH-UHFFFAOYSA-N -1 0 308.338 -0.798 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)c1cccc(F)c1[O-] ZINC000935947858 808061826 /nfs/dbraw/zinc/06/18/26/808061826.db2.gz NRQPXHGLBATESJ-UHFFFAOYSA-N -1 0 305.331 -0.343 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000938238436 808086744 /nfs/dbraw/zinc/08/67/44/808086744.db2.gz XFSPNMKVXHWBAD-BDAKNGLRSA-N -1 0 307.310 -0.911 20 0 DBADRM Cc1nnc(CC(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)C2)o1 ZINC000938238130 808086891 /nfs/dbraw/zinc/08/68/91/808086891.db2.gz RKYBLJGYHSTWHI-QMMMGPOBSA-N -1 0 305.298 -0.930 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000938238236 808087276 /nfs/dbraw/zinc/08/72/76/808087276.db2.gz JBLWPHOLDDLGBA-ZJUUUORDSA-N -1 0 320.353 -0.806 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1cc(F)cc(F)c1 ZINC001333775658 808096458 /nfs/dbraw/zinc/09/64/58/808096458.db2.gz RHKSPRYPGRXWRM-UHFFFAOYSA-N -1 0 315.276 -0.283 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCOC2(CCCCC2)C1 ZINC001333774555 808096594 /nfs/dbraw/zinc/09/65/94/808096594.db2.gz JWECBUHTHRLVQO-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM CC(=O)N[C@H]1CCCCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000943019043 808107900 /nfs/dbraw/zinc/10/79/00/808107900.db2.gz MUYNLRLSJYWNLW-JTQLQIEISA-N -1 0 323.353 -0.267 20 0 DBADRM O=C(NCCCN1C(=O)CNC1=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001333972441 808120461 /nfs/dbraw/zinc/12/04/61/808120461.db2.gz OOPFRAOGSVSAMW-UHFFFAOYSA-N -1 0 319.277 -0.400 20 0 DBADRM CC(=O)NC1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC000946783455 808136922 /nfs/dbraw/zinc/13/69/22/808136922.db2.gz IGZAPXSZMFUJMF-UHFFFAOYSA-N -1 0 303.322 -0.237 20 0 DBADRM CCn1nnc(C)c1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038325364 815177981 /nfs/dbraw/zinc/17/79/81/815177981.db2.gz PUXVTGKILPMZMC-SECBINFHSA-N -1 0 320.357 -0.566 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC001334223022 808143713 /nfs/dbraw/zinc/14/37/13/808143713.db2.gz MNXYCACJBFCNTA-GFCCVEGCSA-N -1 0 321.381 -0.174 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N1CC(c2ccccn2)C1 ZINC001334254439 808146881 /nfs/dbraw/zinc/14/68/81/808146881.db2.gz VDAAAFRKUCOQCO-UHFFFAOYSA-N -1 0 300.318 -0.052 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCS[C@H](C)C1 ZINC001334322477 808152261 /nfs/dbraw/zinc/15/22/61/808152261.db2.gz CXRVDYILMYNFIO-RKDXNWHRSA-N -1 0 303.384 -0.429 20 0 DBADRM CC1(O)CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC001334387477 808159418 /nfs/dbraw/zinc/15/94/18/808159418.db2.gz REBOSHXGUIDECN-NWDGAFQWSA-N -1 0 324.377 -0.071 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(C)c(C(N)=O)cn2)C1=O ZINC001334390920 808160398 /nfs/dbraw/zinc/16/03/98/808160398.db2.gz ZQMIDTZTFUZIAX-AWEZNQCLSA-N -1 0 319.321 -0.146 20 0 DBADRM C[C@@H]1CN(C(=O)C2CCC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000947046247 808168120 /nfs/dbraw/zinc/16/81/20/808168120.db2.gz KKWYPZMIMQZXMH-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC001334508554 808173862 /nfs/dbraw/zinc/17/38/62/808173862.db2.gz DUVOMNRUCPTBHK-GFCCVEGCSA-N -1 0 321.333 -0.620 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC(OCC2CC2)CC1 ZINC001334559103 808177454 /nfs/dbraw/zinc/17/74/54/808177454.db2.gz JXCWWGNFTAAOID-UHFFFAOYSA-N -1 0 310.358 -0.254 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000947659003 808212002 /nfs/dbraw/zinc/21/20/02/808212002.db2.gz DNMCVLMMCJHKQO-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(CC1CC1)NC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000947659592 808212049 /nfs/dbraw/zinc/21/20/49/808212049.db2.gz WPBFPQLMLKNATB-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1cccc(F)n1 ZINC001335032016 808226042 /nfs/dbraw/zinc/22/60/42/808226042.db2.gz OJDXRXZZTPVXKW-UHFFFAOYSA-N -1 0 302.269 -0.078 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCO[C@@H](c2ccccc2)C1 ZINC001335049423 808229115 /nfs/dbraw/zinc/22/91/15/808229115.db2.gz VVWQCIFJWZNMLG-GFCCVEGCSA-N -1 0 318.337 -0.071 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2nnc[nH]2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947827955 808229528 /nfs/dbraw/zinc/22/95/28/808229528.db2.gz BUIHMGLSJLXWHU-JGVFFNPUSA-N -1 0 306.330 -0.589 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC001335145321 808243891 /nfs/dbraw/zinc/24/38/91/808243891.db2.gz SSWPEGKLLDRSGN-CYBMUJFWSA-N -1 0 319.361 -0.204 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2ccc[nH]c2=O)CC[C@H]1C(=O)[O-] ZINC001335215257 808255650 /nfs/dbraw/zinc/25/56/50/808255650.db2.gz CMVIPCYVOFEHII-GXSJLCMTSA-N -1 0 321.333 -0.027 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC000948100161 808265231 /nfs/dbraw/zinc/26/52/31/808265231.db2.gz PXTPOKGBEZAKHL-IONNQARKSA-N -1 0 321.341 -0.015 20 0 DBADRM CC[C@H]1CN(C(C)=O)CC[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000948175023 808270019 /nfs/dbraw/zinc/27/00/19/808270019.db2.gz BYWDEUZNXJPHHB-IUCAKERBSA-N -1 0 309.326 -0.340 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)c1c[n-]n2c1nccc2=O)C1CC1 ZINC000948609621 808306248 /nfs/dbraw/zinc/30/62/48/808306248.db2.gz OCWNWQMOPNSDRA-JTQLQIEISA-N -1 0 315.333 -0.237 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]1CNC(=O)C1CCCC1 ZINC000948626854 808308883 /nfs/dbraw/zinc/30/88/83/808308883.db2.gz BYXSSILXMSWPAB-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1(F)CCOCC1 ZINC000948675567 808315009 /nfs/dbraw/zinc/31/50/09/808315009.db2.gz CNFWTZQNSKYLPI-UHFFFAOYSA-N -1 0 313.333 -0.327 20 0 DBADRM Cc1ncc(CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)o1 ZINC000948730919 808322146 /nfs/dbraw/zinc/32/21/46/808322146.db2.gz WNSCAZYLWHSIQQ-UHFFFAOYSA-N -1 0 306.326 -0.306 20 0 DBADRM O=C(c1cnc2n1CCC2)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948828219 808337308 /nfs/dbraw/zinc/33/73/08/808337308.db2.gz AAOXTTIMTFEGEE-UHFFFAOYSA-N -1 0 317.353 -0.389 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1cncs1)c1n[nH]c(=O)[n-]c1=O ZINC001038459309 815196852 /nfs/dbraw/zinc/19/68/52/815196852.db2.gz PLHQMHCPXUCNAI-ZETCQYMHSA-N -1 0 322.350 -0.256 20 0 DBADRM Cc1oncc1CN1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001038466731 815197139 /nfs/dbraw/zinc/19/71/39/815197139.db2.gz VNHJCXIQIJHSNX-SECBINFHSA-N -1 0 320.309 -0.416 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1c2ccccc2CN1C ZINC001336150502 808348125 /nfs/dbraw/zinc/34/81/25/808348125.db2.gz CNEJSJNYFVLJDJ-LBPRGKRZSA-N -1 0 320.349 -0.917 20 0 DBADRM CN(C(=O)c1nc[nH]n1)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948866332 808348999 /nfs/dbraw/zinc/34/89/99/808348999.db2.gz BFCJTDSNOVQQCU-SECBINFHSA-N -1 0 320.357 -0.245 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1=O ZINC000948915683 808358111 /nfs/dbraw/zinc/35/81/11/808358111.db2.gz ZFFMPIUHQAOSKN-SNVBAGLBSA-N -1 0 322.369 -0.977 20 0 DBADRM O=C(c1cnn(CCF)c1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949022970 808376500 /nfs/dbraw/zinc/37/65/00/808376500.db2.gz PWLPETJWXBITQA-UHFFFAOYSA-N -1 0 323.332 -0.366 20 0 DBADRM COc1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)ccn1 ZINC000949043444 808381846 /nfs/dbraw/zinc/38/18/46/808381846.db2.gz UBGHZZCCGDNLIN-UHFFFAOYSA-N -1 0 318.337 -0.128 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(CCCO)CC2)cc1=O ZINC000949141210 808406200 /nfs/dbraw/zinc/40/62/00/808406200.db2.gz TVTMESKUYLQMQL-UHFFFAOYSA-N -1 0 324.425 -0.099 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NCCSC(F)(F)F)C[NH2+]CCO1 ZINC001336719978 808413112 /nfs/dbraw/zinc/41/31/12/808413112.db2.gz CISWSVQJYRQMCU-QMMMGPOBSA-N -1 0 302.274 -0.201 20 0 DBADRM O=C([O-])[C@]1(C(=O)NCCSC(F)(F)F)C[NH2+]CCO1 ZINC001336719966 808413141 /nfs/dbraw/zinc/41/31/41/808413141.db2.gz CISWSVQJYRQMCU-MRVPVSSYSA-N -1 0 302.274 -0.201 20 0 DBADRM COc1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1C ZINC000949216960 808423089 /nfs/dbraw/zinc/42/30/89/808423089.db2.gz NIBBCHUTNFMKNG-UHFFFAOYSA-N -1 0 321.341 -0.790 20 0 DBADRM O=C([C@@H]1CCO[C@H]1C1CC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949393209 808453381 /nfs/dbraw/zinc/45/33/81/808453381.db2.gz PTTSMTNTVGBPNF-YPMHNXCESA-N -1 0 321.381 -0.030 20 0 DBADRM COc1cc(F)cc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC001337446943 808455362 /nfs/dbraw/zinc/45/53/62/808455362.db2.gz BWRAEUIBHCMBJN-UHFFFAOYSA-N -1 0 309.257 -0.087 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2cn[nH]n2)c1[O-] ZINC000949401151 808455818 /nfs/dbraw/zinc/45/58/18/808455818.db2.gz VKPLWZTZJVJOFH-ZETCQYMHSA-N -1 0 305.298 -0.814 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCOC2)c1[O-] ZINC000949426852 808459125 /nfs/dbraw/zinc/45/91/25/808459125.db2.gz SEOOYMNSXIQLCT-NXEZZACHSA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)Cc2nnc[nH]2)c1[O-] ZINC000949430746 808459801 /nfs/dbraw/zinc/45/98/01/808459801.db2.gz NWSRTQGAFHGPMN-MRVPVSSYSA-N -1 0 319.325 -0.885 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)Cc2cc[nH]n2)c1[O-] ZINC000949427288 808459964 /nfs/dbraw/zinc/45/99/64/808459964.db2.gz XJBQJDOYRFIRME-SNVBAGLBSA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)Cc2cc[nH]n2)c1[O-] ZINC000949427287 808460106 /nfs/dbraw/zinc/46/01/06/808460106.db2.gz XJBQJDOYRFIRME-JTQLQIEISA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2cccnn2)c1[O-] ZINC000949435690 808461378 /nfs/dbraw/zinc/46/13/78/808461378.db2.gz SNCAJTOEWLBJON-SECBINFHSA-N -1 0 316.321 -0.142 20 0 DBADRM O=C([C@@H]1CCNC(=O)CC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949488718 808470645 /nfs/dbraw/zinc/47/06/45/808470645.db2.gz OXLPWJIAOMLRFU-JTQLQIEISA-N -1 0 322.369 -0.929 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC=CCC2)c1[O-] ZINC001337611614 808474401 /nfs/dbraw/zinc/47/44/01/808474401.db2.gz SUTXRQVHPGGJNJ-QWRGUYRKSA-N -1 0 322.365 -0.013 20 0 DBADRM O=C(N[C@H]1CCCN(C(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000949633529 808501359 /nfs/dbraw/zinc/50/13/59/808501359.db2.gz JINKIYLTRLDGAU-QMMMGPOBSA-N -1 0 307.310 -0.586 20 0 DBADRM COCCOCCS(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC001337880292 808501497 /nfs/dbraw/zinc/50/14/97/808501497.db2.gz IEZKJSSUYZWTOJ-UHFFFAOYSA-N -1 0 319.339 -0.743 20 0 DBADRM O=C(CC1CC1)N1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000949668834 808509024 /nfs/dbraw/zinc/50/90/24/808509024.db2.gz HUIKFJJAMFMCIZ-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001338127087 808518909 /nfs/dbraw/zinc/51/89/09/808518909.db2.gz BONLQOJYZZBUEI-QNVIJMGISA-N -1 0 321.337 -0.032 20 0 DBADRM CCO[C@@H]1C[C@@H]1C(=O)N(CC)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949716461 808522966 /nfs/dbraw/zinc/52/29/66/808522966.db2.gz UYTGLFJOSZBQEM-WDEREUQCSA-N -1 0 309.370 -0.032 20 0 DBADRM CCO[C@H]1C[C@H]1C(=O)N(CC)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949716459 808523038 /nfs/dbraw/zinc/52/30/38/808523038.db2.gz UYTGLFJOSZBQEM-MNOVXSKESA-N -1 0 309.370 -0.032 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)[N-]OC1CCOCC1 ZINC001338294394 808530862 /nfs/dbraw/zinc/53/08/62/808530862.db2.gz YTJQATGJAUJQCJ-UHFFFAOYSA-N -1 0 310.372 -0.831 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)C(=O)NCC(=O)[N-]OC)C(F)(F)F ZINC001338440470 808542653 /nfs/dbraw/zinc/54/26/53/808542653.db2.gz PFZZFVMPRMOKRU-SVRRBLITSA-N -1 0 313.276 -0.127 20 0 DBADRM CCN(C(=O)c1cn(C)nc1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949796043 808543277 /nfs/dbraw/zinc/54/32/77/808543277.db2.gz BAHDMIKFLMRLED-UHFFFAOYSA-N -1 0 319.369 -0.101 20 0 DBADRM CCN(C(=O)c1nccnc1N)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949808595 808545940 /nfs/dbraw/zinc/54/59/40/808545940.db2.gz HIYISGRKGSTYPR-UHFFFAOYSA-N -1 0 318.341 -0.771 20 0 DBADRM Cn1cc(C(=O)C(=O)N2CCSC[C@@H]2c2nnn[n-]2)cn1 ZINC001338484038 808548197 /nfs/dbraw/zinc/54/81/97/808548197.db2.gz NVUSFCLBLBHCIW-MRVPVSSYSA-N -1 0 307.339 -0.567 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN([C@@H]2CCN(C)C2=O)C1 ZINC000949874143 808557005 /nfs/dbraw/zinc/55/70/05/808557005.db2.gz COLZQEFTXPJGQF-LLVKDONJSA-N -1 0 321.381 -0.199 20 0 DBADRM O=C(NCCn1cncn1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001338603557 808558555 /nfs/dbraw/zinc/55/85/55/808558555.db2.gz AYXYVZOGQFASMT-UHFFFAOYSA-N -1 0 301.266 -0.543 20 0 DBADRM CS(=O)(=O)CCCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001338690217 808563920 /nfs/dbraw/zinc/56/39/20/808563920.db2.gz KTHVRGRRKIWYGK-UHFFFAOYSA-N -1 0 314.323 -0.951 20 0 DBADRM COc1ncccc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949999205 808576947 /nfs/dbraw/zinc/57/69/47/808576947.db2.gz INKUYXHJHLMPFT-UHFFFAOYSA-N -1 0 318.337 -0.128 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001339169037 808582113 /nfs/dbraw/zinc/58/21/13/808582113.db2.gz NOYNHWRWWPQOGN-IAQYHMDHSA-N -1 0 314.382 -0.361 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000950066569 808584365 /nfs/dbraw/zinc/58/43/65/808584365.db2.gz WSERUVMKKQVWCN-SECBINFHSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1ncc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1C ZINC001038622995 815220109 /nfs/dbraw/zinc/22/01/09/815220109.db2.gz BGCPLHDUYFZPRA-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1ncc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1C ZINC001038622996 815220206 /nfs/dbraw/zinc/22/02/06/815220206.db2.gz BGCPLHDUYFZPRA-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C[C@H]1C1CC1 ZINC001340080253 808619441 /nfs/dbraw/zinc/61/94/41/808619441.db2.gz TWLBGBKNWREGCQ-QNWHQSFQSA-N -1 0 322.361 -0.055 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)CC(N)=O)C2)c1[O-] ZINC000950254452 808620576 /nfs/dbraw/zinc/62/05/76/808620576.db2.gz UXESSBGVOKIKLZ-QMMMGPOBSA-N -1 0 309.326 -0.980 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)NCCCN1CCOCC1 ZINC001340156800 808624949 /nfs/dbraw/zinc/62/49/49/808624949.db2.gz CJAZWTDAKGVFEN-UHFFFAOYSA-N -1 0 315.370 -0.948 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N(C)CCN1CCOCC1)C(=O)[O-] ZINC001340163240 808625944 /nfs/dbraw/zinc/62/59/44/808625944.db2.gz NSCDNNFYNSNGLV-LLVKDONJSA-N -1 0 315.370 -0.996 20 0 DBADRM CC(C)O[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC001340487211 808639663 /nfs/dbraw/zinc/63/96/63/808639663.db2.gz XXTMRNHLLAMDQS-PHIMTYICSA-N -1 0 313.354 -0.119 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1c(F)cccc1Cl ZINC001340481457 808639883 /nfs/dbraw/zinc/63/98/83/808639883.db2.gz RZJWAGITWYIWNJ-UHFFFAOYSA-N -1 0 317.704 -0.111 20 0 DBADRM CN(C[C@@H]1CCOC1)C(=O)NCCOCCOCC(=O)[O-] ZINC001340569863 808643929 /nfs/dbraw/zinc/64/39/29/808643929.db2.gz OOLAATBFBAWREJ-NSHDSACASA-N -1 0 304.343 -0.218 20 0 DBADRM CNC(=O)C1CCC(NC(=O)C(=O)[N-]OCCOC)CC1 ZINC001341029918 808666886 /nfs/dbraw/zinc/66/68/86/808666886.db2.gz MSMLSIUVCRJCLM-UHFFFAOYSA-N -1 0 301.343 -0.898 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1ccccc1Cn1cncn1 ZINC001341051254 808668207 /nfs/dbraw/zinc/66/82/07/808668207.db2.gz HNUQCBRHUWKQGW-UHFFFAOYSA-N -1 0 300.278 -0.067 20 0 DBADRM CO[C@H]1CCCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001341325400 808679576 /nfs/dbraw/zinc/67/95/76/808679576.db2.gz AMJWPUSBPIARMA-NSHDSACASA-N -1 0 304.343 -0.075 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC001341326758 808680013 /nfs/dbraw/zinc/68/00/13/808680013.db2.gz OVLDDLXBTKRLPM-WDEREUQCSA-N -1 0 311.338 -0.508 20 0 DBADRM C[C@@H]1COCC[C@@H]1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001341366852 808681546 /nfs/dbraw/zinc/68/15/46/808681546.db2.gz CHWNDROGJGLTBR-GHMZBOCLSA-N -1 0 313.354 -0.403 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1cn(Cc2ccccn2)nn1 ZINC001341390161 808682121 /nfs/dbraw/zinc/68/21/21/808682121.db2.gz DKVBKHVRLDUKCH-UHFFFAOYSA-N -1 0 301.266 -0.672 20 0 DBADRM Cc1cccc2c1C[C@@H](NC(=O)[C@@]1(C(=O)[O-])C[NH2+]CCO1)CO2 ZINC001341452433 808685656 /nfs/dbraw/zinc/68/56/56/808685656.db2.gz UCDRMRMIMMHIGV-BDJLRTHQSA-N -1 0 320.345 -0.142 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CC[C@]2(CCOC2)C1 ZINC001341453750 808685936 /nfs/dbraw/zinc/68/59/36/808685936.db2.gz XDCRURUEYLBKJY-AWEZNQCLSA-N -1 0 316.354 -0.074 20 0 DBADRM O=C(Cc1nc2ncccn2n1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001341767459 808698733 /nfs/dbraw/zinc/69/87/33/808698733.db2.gz ZQUJIFRGMIIIRD-SECBINFHSA-N -1 0 313.325 -0.414 20 0 DBADRM CCOC[C@H]1CCCCN1C(=O)C(=O)NCC(=O)[N-]OC ZINC001342031194 808712719 /nfs/dbraw/zinc/71/27/19/808712719.db2.gz YSULUELDVXKPMG-SNVBAGLBSA-N -1 0 301.343 -0.802 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000950852272 808721990 /nfs/dbraw/zinc/72/19/90/808721990.db2.gz RVADCHNFORNMHQ-JTQLQIEISA-N -1 0 303.322 -0.237 20 0 DBADRM Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)[N-]OCC(N)=O ZINC001342430708 808729804 /nfs/dbraw/zinc/72/98/04/808729804.db2.gz OOZYYCITZKOGEB-UHFFFAOYSA-N -1 0 323.231 -0.781 20 0 DBADRM CCN(C(=O)[C@@H]1C[C@@H](C)CO1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950920428 808733140 /nfs/dbraw/zinc/73/31/40/808733140.db2.gz UOZXLTZNCOGABA-KOLCDFICSA-N -1 0 309.370 -0.032 20 0 DBADRM CC1(C(=O)N2CCC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000951055438 808758560 /nfs/dbraw/zinc/75/85/60/808758560.db2.gz NFQPFEZCUBVLMU-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM CC1(C(=O)N2CCC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000951055272 808758565 /nfs/dbraw/zinc/75/85/65/808758565.db2.gz LQNDQDAKZPVVIP-QMMMGPOBSA-N -1 0 321.337 -0.196 20 0 DBADRM CCN(C(=O)c1c[nH]nc1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000951103346 808767384 /nfs/dbraw/zinc/76/73/84/808767384.db2.gz IOWHXHYIRPRVIM-UHFFFAOYSA-N -1 0 305.342 -0.112 20 0 DBADRM CCN(C(=O)c1n[nH]nc1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000951107954 808767845 /nfs/dbraw/zinc/76/78/45/808767845.db2.gz NWZOLCUJFDJCLR-UHFFFAOYSA-N -1 0 306.330 -0.717 20 0 DBADRM CCN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(CCOC)C1 ZINC000951119558 808769690 /nfs/dbraw/zinc/76/96/90/808769690.db2.gz AMNHTENAQVTUOQ-UHFFFAOYSA-N -1 0 310.354 -0.721 20 0 DBADRM CCN(C(=O)c1c[nH]c(=O)n1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000951138289 808772920 /nfs/dbraw/zinc/77/29/20/808772920.db2.gz VZURNLZZRVTHBQ-UHFFFAOYSA-N -1 0 321.341 -0.704 20 0 DBADRM CC(C)(C)C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297606 808794588 /nfs/dbraw/zinc/79/45/88/808794588.db2.gz FOCZTGCGNVVJIK-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM CC[C@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297762 808794595 /nfs/dbraw/zinc/79/45/95/808794595.db2.gz JIDSCVWBLOXIDZ-JGVFFNPUSA-N -1 0 309.326 -0.340 20 0 DBADRM O=C(CC1CCC1)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297771 808794715 /nfs/dbraw/zinc/79/47/15/808794715.db2.gz JQIUFGYVQMQMDY-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM CC1(C(=O)N2CC[C@@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC000951300663 808795537 /nfs/dbraw/zinc/79/55/37/808795537.db2.gz VWPAQOYUZBSXGN-MRVPVSSYSA-N -1 0 321.337 -0.196 20 0 DBADRM CC[C@H](F)C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951300507 808795839 /nfs/dbraw/zinc/79/58/39/808795839.db2.gz RZMHEVQKEBNYOM-BQBZGAKWSA-N -1 0 313.289 -0.638 20 0 DBADRM COCc1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)no1 ZINC000951380803 808807456 /nfs/dbraw/zinc/80/74/56/808807456.db2.gz CVUJKIUIDMQCIY-UHFFFAOYSA-N -1 0 322.325 -0.397 20 0 DBADRM CC(C)CC(=O)N1CC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951450433 808819941 /nfs/dbraw/zinc/81/99/41/808819941.db2.gz AKIFCICCPBVNGS-SNVBAGLBSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(C)=CC(=O)N1CC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951450558 808820528 /nfs/dbraw/zinc/82/05/28/808820528.db2.gz CWVOJEWZWGQDIV-JTQLQIEISA-N -1 0 320.349 -0.217 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951450763 808820694 /nfs/dbraw/zinc/82/06/94/808820694.db2.gz IMAGQVYXNQXIBN-ZUYFITGHSA-N -1 0 320.349 -0.217 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000951461146 808824981 /nfs/dbraw/zinc/82/49/81/808824981.db2.gz KLJNTIIGKHUTRC-MRVPVSSYSA-N -1 0 309.326 -0.340 20 0 DBADRM COC[C@@H](C)N1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC000951550319 808842466 /nfs/dbraw/zinc/84/24/66/808842466.db2.gz NWSOVGUDGVOJAS-LLVKDONJSA-N -1 0 319.365 -0.185 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000951615273 808861803 /nfs/dbraw/zinc/86/18/03/808861803.db2.gz GRDXKVIYGCNXDX-GUBZILKMSA-N -1 0 320.349 -0.527 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001038726589 815241483 /nfs/dbraw/zinc/24/14/83/815241483.db2.gz UTNSBTOQXRAWAW-DBIOUOCHSA-N -1 0 307.354 -0.232 20 0 DBADRM CCN(C(=O)c1n[nH]cc1F)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000951630816 808866900 /nfs/dbraw/zinc/86/69/00/808866900.db2.gz QEKPDEPSKMDGQE-UHFFFAOYSA-N -1 0 309.305 -0.281 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2ncccn2)c1[O-] ZINC000951782342 808900435 /nfs/dbraw/zinc/90/04/35/808900435.db2.gz GHAQHFCWVRGCQK-SECBINFHSA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1n[nH]c(C)c1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000951786492 808902184 /nfs/dbraw/zinc/90/21/84/808902184.db2.gz FIKLUWLXCSYLKR-UHFFFAOYSA-N -1 0 305.342 -0.192 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000952201894 808972810 /nfs/dbraw/zinc/97/28/10/808972810.db2.gz ADIFKNDQYLIDJW-OPRDCNLKSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000952244287 808977454 /nfs/dbraw/zinc/97/74/54/808977454.db2.gz IWQPDHBAPATQQC-BDAKNGLRSA-N -1 0 321.337 -0.794 20 0 DBADRM CCN(C(=O)c1ccnnc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000952343871 808982542 /nfs/dbraw/zinc/98/25/42/808982542.db2.gz DGLZJCOSXWTDNO-UHFFFAOYSA-N -1 0 303.326 -0.353 20 0 DBADRM CCN(C(=O)c1nc(C)c[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000952434877 808989767 /nfs/dbraw/zinc/98/97/67/808989767.db2.gz ZTDWMOLIMCPCOZ-UHFFFAOYSA-N -1 0 305.342 -0.112 20 0 DBADRM C[C@H]1C[C@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCO1 ZINC000952440404 808990397 /nfs/dbraw/zinc/99/03/97/808990397.db2.gz ZBEPLQMEPLYXJS-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM CCC(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000953226411 809025327 /nfs/dbraw/zinc/02/53/27/809025327.db2.gz IGASZLGXYFAFLG-NXEZZACHSA-N -1 0 323.353 -0.451 20 0 DBADRM CC(=O)N1CC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000953245459 809026670 /nfs/dbraw/zinc/02/66/70/809026670.db2.gz YJRJTKWBZZJOFD-UWVGGRQHSA-N -1 0 309.326 -0.841 20 0 DBADRM CC(=O)N1CC[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000953416396 809041254 /nfs/dbraw/zinc/04/12/54/809041254.db2.gz UAJKRUMSRIBVDM-BDAKNGLRSA-N -1 0 307.310 -0.634 20 0 DBADRM CN(C(=O)C1CCC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000953480902 809051026 /nfs/dbraw/zinc/05/10/26/809051026.db2.gz ZNVZIRNLWQYCQK-UHFFFAOYSA-N -1 0 309.326 -0.841 20 0 DBADRM CCC(=O)N(C)C1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000953675191 809069792 /nfs/dbraw/zinc/06/97/92/809069792.db2.gz WXJYEOFJTRGEDG-UHFFFAOYSA-N -1 0 309.326 -0.244 20 0 DBADRM CN(C(=O)C1CC1)C1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000953681337 809070894 /nfs/dbraw/zinc/07/08/94/809070894.db2.gz PBAJVQGNGQEXHJ-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM Cc1cc(=O)c(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)c[nH]1 ZINC001038871760 815262408 /nfs/dbraw/zinc/26/24/08/815262408.db2.gz JDJSESQRFOYIOT-VIFPVBQESA-N -1 0 318.337 -0.489 20 0 DBADRM CN(C(=O)CC1CCC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000953964026 809141146 /nfs/dbraw/zinc/14/11/46/809141146.db2.gz YVZAHZOXIWTIPQ-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM CN(C(=O)C1=CCCC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954036854 809148596 /nfs/dbraw/zinc/14/85/96/809148596.db2.gz BNLORRRUJDKFBH-UHFFFAOYSA-N -1 0 321.337 -0.531 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3ccnn3C)C2)c1[O-] ZINC000954067924 809153845 /nfs/dbraw/zinc/15/38/45/809153845.db2.gz AYWBZUPBGQGOMS-UHFFFAOYSA-N -1 0 318.337 -0.246 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)[C@H]3CCOC3)C2)c1[O-] ZINC000954068219 809153913 /nfs/dbraw/zinc/15/39/13/809153913.db2.gz JAUUUAZNLJFVQE-VIFPVBQESA-N -1 0 308.338 -0.257 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3cncnc3)C2)c1[O-] ZINC000954070521 809154327 /nfs/dbraw/zinc/15/43/27/809154327.db2.gz VJLSNBZSEAZIBW-UHFFFAOYSA-N -1 0 316.321 -0.190 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3cnsn3)C2)c1[O-] ZINC000954068788 809154505 /nfs/dbraw/zinc/15/45/05/809154505.db2.gz SHVHRYXOEIBTKA-UHFFFAOYSA-N -1 0 322.350 -0.128 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CCN(C(=O)C2CC2)CC1 ZINC000954107781 809162586 /nfs/dbraw/zinc/16/25/86/809162586.db2.gz ZORMVCZKUJWCKR-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM CNC(=O)CN1CC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001038923729 815267354 /nfs/dbraw/zinc/26/73/54/815267354.db2.gz VHAAZAFKVNZFDY-QMMMGPOBSA-N -1 0 319.321 -0.522 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3ncn(C)n3)C2)c1[O-] ZINC000954211329 809189735 /nfs/dbraw/zinc/18/97/35/809189735.db2.gz FDVHFBJWAJUKDG-UHFFFAOYSA-N -1 0 319.325 -0.851 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038936407 815269881 /nfs/dbraw/zinc/26/98/81/815269881.db2.gz NJEYNJAGCPQFGP-MNOVXSKESA-N -1 0 322.369 -0.788 20 0 DBADRM CN(C(=O)C(N)=O)C1CCN(C(=O)c2ccccc2O)CC1 ZINC000954343286 809221635 /nfs/dbraw/zinc/22/16/35/809221635.db2.gz UJHRZMOYALRNRK-UHFFFAOYSA-N -1 0 305.334 -0.060 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cnn2cc[nH]c12 ZINC001038964459 815273249 /nfs/dbraw/zinc/27/32/49/815273249.db2.gz RERDQRRIJHNYNP-QMMMGPOBSA-N -1 0 316.325 -0.510 20 0 DBADRM CCc1ncncc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001039019146 815281398 /nfs/dbraw/zinc/28/13/98/815281398.db2.gz PNVZVTXVYZBHPB-SECBINFHSA-N -1 0 317.353 -0.133 20 0 DBADRM Cn1nc(CN2CC[C@@H]2CNC(=O)c2ccc(=O)[nH]c2)[n-]c1=O ZINC001038985465 815276547 /nfs/dbraw/zinc/27/65/47/815276547.db2.gz IWCYKBFWUAWSIH-SNVBAGLBSA-N -1 0 318.337 -0.787 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954876766 809304571 /nfs/dbraw/zinc/30/45/71/809304571.db2.gz GZHYYLNMMNFZSY-POYBYMJQSA-N -1 0 307.310 -0.778 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954876767 809304585 /nfs/dbraw/zinc/30/45/85/809304585.db2.gz GZHYYLNMMNFZSY-SVRRBLITSA-N -1 0 307.310 -0.778 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)CCC2CC2)C1 ZINC000954877202 809305148 /nfs/dbraw/zinc/30/51/48/809305148.db2.gz PJYPBIWYRKRYQR-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)/C=C/C2CC2)C1 ZINC000954877061 809305250 /nfs/dbraw/zinc/30/52/50/809305250.db2.gz LPRQRQULXJQGPW-SNAWJCMRSA-N -1 0 319.321 -0.468 20 0 DBADRM CC(C)CC(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954877489 809305282 /nfs/dbraw/zinc/30/52/82/809305282.db2.gz WBSABMHHSRNRPK-UHFFFAOYSA-N -1 0 309.326 -0.388 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C2CC=CC2)C1 ZINC000954877200 809305306 /nfs/dbraw/zinc/30/53/06/809305306.db2.gz PJIZAZQUHAUPIN-UHFFFAOYSA-N -1 0 319.321 -0.468 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C2CCCC2)C1 ZINC000954933986 809311596 /nfs/dbraw/zinc/31/15/96/809311596.db2.gz OXASGBMLZRNKPP-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954938936 809312153 /nfs/dbraw/zinc/31/21/53/809312153.db2.gz QBSUITONQDFADM-PSASIEDQSA-N -1 0 323.353 -0.595 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000954951266 809316711 /nfs/dbraw/zinc/31/67/11/809316711.db2.gz OGLNINHUBGWNSG-PSASIEDQSA-N -1 0 320.349 -0.575 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000954951268 809317155 /nfs/dbraw/zinc/31/71/55/809317155.db2.gz OGLNINHUBGWNSG-WCBMZHEXSA-N -1 0 320.349 -0.575 20 0 DBADRM CN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(C(=O)C(C)(C)C)C1 ZINC000954951286 809317213 /nfs/dbraw/zinc/31/72/13/809317213.db2.gz PJJXEJOPOURJJO-UHFFFAOYSA-N -1 0 322.365 -0.185 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC000955462229 809419970 /nfs/dbraw/zinc/41/99/70/809419970.db2.gz PYQNPXVFSDWVPB-WPRPVWTQSA-N -1 0 308.338 -0.385 20 0 DBADRM CC(=O)N1CCC[C@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC000955838824 809455680 /nfs/dbraw/zinc/45/56/80/809455680.db2.gz FOKJJGYBSRFAPO-JTQLQIEISA-N -1 0 303.322 -0.237 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000956155414 809492334 /nfs/dbraw/zinc/49/23/34/809492334.db2.gz ZPEZTZBZGYHOJH-CIUDSAMLSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(C(=O)c3cnon3)C2)c1[O-] ZINC000956829328 809554597 /nfs/dbraw/zinc/55/45/97/809554597.db2.gz YBSXWLPUJMUXQA-ZDUSSCGKSA-N -1 0 320.309 -0.159 20 0 DBADRM CCN(C(=O)[C@H]1CCO[C@H]1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000957043867 809579503 /nfs/dbraw/zinc/57/95/03/809579503.db2.gz IDKGWXZFNMZARG-ONGXEEELSA-N -1 0 309.370 -0.032 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)C1 ZINC000957134281 809590460 /nfs/dbraw/zinc/59/04/60/809590460.db2.gz NYLIIGGMXSXIRK-CABCVRRESA-N -1 0 310.350 -0.317 20 0 DBADRM CC(C)=CC(=O)N1CC[C@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957235626 809607779 /nfs/dbraw/zinc/60/77/79/809607779.db2.gz IPNIJJVLYRKLEX-AWEZNQCLSA-N -1 0 321.337 -0.030 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957236408 809608225 /nfs/dbraw/zinc/60/82/25/809608225.db2.gz ZNKUKFYDJZRVQF-VCDPDADVSA-N -1 0 321.337 -0.030 20 0 DBADRM C[C@@]1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(C(=O)C2CC2)C1 ZINC000957236378 809608310 /nfs/dbraw/zinc/60/83/10/809608310.db2.gz YYVFQYSGUUURDX-CYBMUJFWSA-N -1 0 307.310 -0.586 20 0 DBADRM Cc1cc(CN2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)no1 ZINC000957464712 809646086 /nfs/dbraw/zinc/64/60/86/809646086.db2.gz LZRNWTFWKDNGTL-UHFFFAOYSA-N -1 0 322.325 -0.670 20 0 DBADRM CC[C@H](F)CN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000957474765 809648760 /nfs/dbraw/zinc/64/87/60/809648760.db2.gz ZJEIRNPZBXJPEF-VIFPVBQESA-N -1 0 301.322 -0.418 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000957528187 809652439 /nfs/dbraw/zinc/65/24/39/809652439.db2.gz ZNIAFUBKUHZQRS-ZYUZMQFOSA-N -1 0 323.353 -0.692 20 0 DBADRM O=C(c1ccc(=O)[nH]c1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957534443 809652702 /nfs/dbraw/zinc/65/27/02/809652702.db2.gz OLBULQRACFUMTL-UHFFFAOYSA-N -1 0 304.310 -0.431 20 0 DBADRM CCC(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC000957580971 809655755 /nfs/dbraw/zinc/65/57/55/809655755.db2.gz AFUZHUFKEXZUGF-PSASIEDQSA-N -1 0 308.338 -0.527 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccncc1 ZINC000957822635 809683202 /nfs/dbraw/zinc/68/32/02/809683202.db2.gz YUGIJQLFXJIGJM-WDEREUQCSA-N -1 0 318.337 -0.872 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccncc1 ZINC000957822632 809683444 /nfs/dbraw/zinc/68/34/44/809683444.db2.gz YUGIJQLFXJIGJM-GHMZBOCLSA-N -1 0 318.337 -0.872 20 0 DBADRM CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnc([O-])n(C)c1=O)C2 ZINC000957828247 809684075 /nfs/dbraw/zinc/68/40/75/809684075.db2.gz OGZZAYRXVMFCEG-AXFHLTTASA-N -1 0 320.349 -0.385 20 0 DBADRM Cc1occc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000957852394 809691943 /nfs/dbraw/zinc/69/19/43/809691943.db2.gz XEWKEBIPZCBPES-KOLCDFICSA-N -1 0 321.337 -0.366 20 0 DBADRM C[C@@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnn(C)c1 ZINC000957980897 809733945 /nfs/dbraw/zinc/73/39/45/809733945.db2.gz SUEHKJUJUPHVFL-SNVBAGLBSA-N -1 0 319.369 -0.308 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc[nH]c1 ZINC000958085772 809764373 /nfs/dbraw/zinc/76/43/73/809764373.db2.gz JOXCGGCOGPXDGJ-UWVGGRQHSA-N -1 0 306.326 -0.939 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccns1 ZINC000958116501 809771064 /nfs/dbraw/zinc/77/10/64/809771064.db2.gz DVHZJPFNPPVNAO-HTQZYQBOSA-N -1 0 324.366 -0.811 20 0 DBADRM Cc1c(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)cnn1C ZINC000958255253 809830130 /nfs/dbraw/zinc/83/01/30/809830130.db2.gz RBAWMMZCIFBOLZ-IAZYJMLFSA-N -1 0 317.353 -0.588 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cnsn1 ZINC000958292030 809846334 /nfs/dbraw/zinc/84/63/34/809846334.db2.gz GKDNFLCCDWFANP-KPCSLPGQSA-N -1 0 307.339 -0.778 20 0 DBADRM Cc1coc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1 ZINC000958324618 809862663 /nfs/dbraw/zinc/86/26/63/809862663.db2.gz KSLRXHVHXQUCSK-NXEZZACHSA-N -1 0 321.337 -0.366 20 0 DBADRM Cc1ncc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)[nH]1 ZINC000958409670 809899148 /nfs/dbraw/zinc/89/91/48/809899148.db2.gz AZPWJNPSHFUTCN-VROVMSAKSA-N -1 0 303.326 -0.598 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ccc(F)nc1 ZINC000958418805 809903895 /nfs/dbraw/zinc/90/38/95/809903895.db2.gz ICGDQNNKGYAMHU-GDGBQDQQSA-N -1 0 318.312 -0.095 20 0 DBADRM CCn1cc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)cn1 ZINC000958428084 809907984 /nfs/dbraw/zinc/90/79/84/809907984.db2.gz SSVNPRLIORHHGH-IAZYJMLFSA-N -1 0 317.353 -0.413 20 0 DBADRM Cc1ncoc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958499240 809935702 /nfs/dbraw/zinc/93/57/02/809935702.db2.gz BHBCXVQEOFPSEB-MBTKJCJQSA-N -1 0 304.310 -0.333 20 0 DBADRM Cc1cnoc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000958563447 809957886 /nfs/dbraw/zinc/95/78/86/809957886.db2.gz NQODQBNBDSXAHO-IUCAKERBSA-N -1 0 322.325 -0.971 20 0 DBADRM Cn1cnc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)c1 ZINC000958569877 809959316 /nfs/dbraw/zinc/95/93/16/809959316.db2.gz RJHQKPZYHIMURZ-VROVMSAKSA-N -1 0 303.326 -0.896 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958572145 809960363 /nfs/dbraw/zinc/96/03/63/809960363.db2.gz DFGNLGZCTQUFBG-NMSKTSORSA-N -1 0 321.337 -0.990 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(Cc4cn(C)nn4)C[C@H]32)c1[O-] ZINC000958583880 809967169 /nfs/dbraw/zinc/96/71/69/809967169.db2.gz OMGGQBRMTZMPSS-URLYPYJESA-N -1 0 317.353 -0.588 20 0 DBADRM CCn1ccnc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958727505 810014041 /nfs/dbraw/zinc/01/40/41/810014041.db2.gz NAOWOUNJUHLMKV-JZYVYDRUSA-N -1 0 317.353 -0.413 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CN(C(=O)C3(C)CC3)C[C@@H]2O)c1[O-] ZINC000958825302 810040737 /nfs/dbraw/zinc/04/07/37/810040737.db2.gz ZPYTZRBETZVPJY-UWVGGRQHSA-N -1 0 322.365 -0.132 20 0 DBADRM CC(C)C(=O)N1CC[C@@H]([C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000959062571 810077891 /nfs/dbraw/zinc/07/78/91/810077891.db2.gz ILMGHLGVHPLUOR-DTWKUNHWSA-N -1 0 323.353 -0.094 20 0 DBADRM CCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000959292178 810093552 /nfs/dbraw/zinc/09/35/52/810093552.db2.gz FYYUEMDGFLBXBE-VHSXEESVSA-N -1 0 322.365 -0.280 20 0 DBADRM C[C@H]1CN(C(=O)C2CC2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000959304800 810094508 /nfs/dbraw/zinc/09/45/08/810094508.db2.gz PLXHWFYUIIVTAO-IONNQARKSA-N -1 0 321.337 -0.483 20 0 DBADRM C[C@H]1CN(C(=O)C2CC2)C[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000959304798 810094525 /nfs/dbraw/zinc/09/45/25/810094525.db2.gz PLXHWFYUIIVTAO-CBAPKCEASA-N -1 0 321.337 -0.483 20 0 DBADRM COCC(=O)N1C[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])[C@H](C)C1 ZINC000959321260 810095043 /nfs/dbraw/zinc/09/50/43/810095043.db2.gz JRUVASHZWWPWBO-PSASIEDQSA-N -1 0 310.354 -0.106 20 0 DBADRM COCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000959321265 810095051 /nfs/dbraw/zinc/09/50/51/810095051.db2.gz JRUVASHZWWPWBO-SCZZXKLOSA-N -1 0 310.354 -0.106 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)C1CC1 ZINC000959531331 810108034 /nfs/dbraw/zinc/10/80/34/810108034.db2.gz OCYFGURFUQCVCI-WCBMZHEXSA-N -1 0 323.353 -0.690 20 0 DBADRM CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000959612223 810117096 /nfs/dbraw/zinc/11/70/96/810117096.db2.gz ZRJGPMJBUSNFSH-JGPRNRPPSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000959611770 810117280 /nfs/dbraw/zinc/11/72/80/810117280.db2.gz GRZAKLVNDIXMMS-ILWJIGKKSA-N -1 0 321.337 -0.198 20 0 DBADRM CCC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC000959768988 810120448 /nfs/dbraw/zinc/12/04/48/810120448.db2.gz HDDJOUIOWZJGQL-OCAPTIKFSA-N -1 0 307.310 -0.777 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3OCCN(C(=O)C4CC4)[C@H]3C2)c1[O-] ZINC000959874608 810134291 /nfs/dbraw/zinc/13/42/91/810134291.db2.gz LYYYPSLVNCGSQE-WDEREUQCSA-N -1 0 320.349 -0.114 20 0 DBADRM Cc1ncc(CC(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)o1 ZINC000960253281 810163994 /nfs/dbraw/zinc/16/39/94/810163994.db2.gz DEIWAVULNARYQM-IWIIMEHWSA-N -1 0 318.337 -0.404 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)c1ccnn1C ZINC000960480676 810178681 /nfs/dbraw/zinc/17/86/81/810178681.db2.gz IIHCIXYGGANNGT-JTQLQIEISA-N -1 0 319.369 -0.020 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)Cc1cc[nH]n1 ZINC000960520090 810181560 /nfs/dbraw/zinc/18/15/60/810181560.db2.gz GFYFLVJSCKYQNO-NSHDSACASA-N -1 0 319.369 -0.101 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)C1(C(N)=O)CC1 ZINC000960840536 810206526 /nfs/dbraw/zinc/20/65/26/810206526.db2.gz OIAMXSLCGHNIBJ-VIFPVBQESA-N -1 0 322.369 -0.801 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC000960981909 810215360 /nfs/dbraw/zinc/21/53/60/810215360.db2.gz DWEQZRMBHSFVCB-UWVGGRQHSA-N -1 0 322.369 -0.788 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C[C@@H]1O ZINC000961073402 810224557 /nfs/dbraw/zinc/22/45/57/810224557.db2.gz HQCUPZASAZVXJK-NEPJUHHUSA-N -1 0 308.338 -0.951 20 0 DBADRM Cc1cncn1CC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000961177349 810243885 /nfs/dbraw/zinc/24/38/85/810243885.db2.gz VNOSTPCIWDPBJH-IWIIMEHWSA-N -1 0 317.353 -0.738 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ncccc1F ZINC000962161885 810460533 /nfs/dbraw/zinc/46/05/33/810460533.db2.gz YGTABSXPBLTSGJ-VROVMSAKSA-N -1 0 318.312 -0.095 20 0 DBADRM CCC(=O)N[C@H]1CC12CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC000962221994 810478204 /nfs/dbraw/zinc/47/82/04/810478204.db2.gz CXFCSXNOYIGZBP-QMMMGPOBSA-N -1 0 321.337 -0.196 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3CCCC3)C[C@@H]2O)c1[O-] ZINC000962304326 810503140 /nfs/dbraw/zinc/50/31/40/810503140.db2.gz UDJLETJDNYBVAC-MNOVXSKESA-N -1 0 322.365 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@@H]2O)c1[O-] ZINC000962304399 810503224 /nfs/dbraw/zinc/50/32/24/810503224.db2.gz VBKHAFMVNIAQOT-ZJUUUORDSA-N -1 0 308.338 -0.475 20 0 DBADRM CC[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC000962304847 810503246 /nfs/dbraw/zinc/50/32/46/810503246.db2.gz YSCUOWHZFPAJMJ-QNSHHTMESA-N -1 0 310.354 -0.229 20 0 DBADRM CC[C@@H](F)C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC000962318638 810506481 /nfs/dbraw/zinc/50/64/81/810506481.db2.gz KQDMVZQIRCMGRZ-HLTSFMKQSA-N -1 0 314.317 -0.527 20 0 DBADRM CC(=O)N[C@@H]1CC12CCN(C(=O)c1cnc([O-])n(C)c1=O)CC2 ZINC000962352153 810512717 /nfs/dbraw/zinc/51/27/17/810512717.db2.gz ACMNJEOPXFNPOH-LLVKDONJSA-N -1 0 320.349 -0.383 20 0 DBADRM Cc1nccc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)n1 ZINC000962619972 810562977 /nfs/dbraw/zinc/56/29/77/810562977.db2.gz SJPGQADGQWMNOM-GDGBQDQQSA-N -1 0 315.337 -0.531 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)C(N)=O)c1[O-] ZINC000962907832 810595115 /nfs/dbraw/zinc/59/51/15/810595115.db2.gz CXNJCAXSKUCFEN-BDAKNGLRSA-N -1 0 321.337 -0.885 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)c1[O-] ZINC000963506756 810633050 /nfs/dbraw/zinc/63/30/50/810633050.db2.gz BPRJGZHSWVYHOD-IUCAKERBSA-N -1 0 321.337 -0.885 20 0 DBADRM CC(=O)N1C[C@@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000963785741 810660315 /nfs/dbraw/zinc/66/03/15/810660315.db2.gz BJTVNHXFDNIPAT-DTWKUNHWSA-N -1 0 307.310 -0.634 20 0 DBADRM CCC(=O)N1CCC2(C[C@@H]2NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000964482462 810780128 /nfs/dbraw/zinc/78/01/28/810780128.db2.gz ULAFCLNJFTXVHR-QMMMGPOBSA-N -1 0 321.337 -0.196 20 0 DBADRM CC(=O)N1CCC2(C[C@@H]2NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000964568209 810785248 /nfs/dbraw/zinc/78/52/48/810785248.db2.gz JQEBXARJNJEXMC-VIFPVBQESA-N -1 0 309.326 -0.794 20 0 DBADRM CC(=O)N1CCC2(C[C@H]2NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000964568208 810785406 /nfs/dbraw/zinc/78/54/06/810785406.db2.gz JQEBXARJNJEXMC-SECBINFHSA-N -1 0 309.326 -0.794 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccn[nH]1 ZINC000965328063 810863533 /nfs/dbraw/zinc/86/35/33/810863533.db2.gz UORDKCQIDZQNAK-WCBMZHEXSA-N -1 0 305.342 -0.126 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC3(C2)C[C@@H](NC(=O)C2CC2)CO3)c1[O-] ZINC000965598398 810920717 /nfs/dbraw/zinc/92/07/17/810920717.db2.gz VSUGBTQQZTYWRO-SNVBAGLBSA-N -1 0 320.349 -0.067 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cn(C)cn1 ZINC000965905149 810984291 /nfs/dbraw/zinc/98/42/91/810984291.db2.gz FZDMBNMSLSJCPU-VHSXEESVSA-N -1 0 319.369 -0.116 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)N(C)C)CC[C@H]2C)c1[O-] ZINC000965917269 810986883 /nfs/dbraw/zinc/98/68/83/810986883.db2.gz RZUWOGLTPMOWSE-MWLCHTKSSA-N -1 0 323.397 -0.048 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cn(C)nn1 ZINC000965986013 811000479 /nfs/dbraw/zinc/00/04/79/811000479.db2.gz VIXRAOAUVWOJKQ-BDAKNGLRSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@@H]1CN(C(=O)CC2CC2)C[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000966043627 811007903 /nfs/dbraw/zinc/00/79/03/811007903.db2.gz NDJGVBPHYBTDRP-APPZFPTMSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000966487013 811084291 /nfs/dbraw/zinc/08/42/91/811084291.db2.gz GCOJINNSTYUNJH-BDAKNGLRSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NC(=O)C1(C)CC1 ZINC000966638185 811112900 /nfs/dbraw/zinc/11/29/00/811112900.db2.gz QMYSQRCHABFMOK-YUMQZZPRSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C1CC1 ZINC000966646428 811113743 /nfs/dbraw/zinc/11/37/43/811113743.db2.gz YSVWPZOJRXEMOS-POYBYMJQSA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@H]1CN(C(=O)C(C)(C)C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000966808252 811160887 /nfs/dbraw/zinc/16/08/87/811160887.db2.gz LIAYQPOQIAHLAH-JGVFFNPUSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1(C)C ZINC000966919452 811185382 /nfs/dbraw/zinc/18/53/82/811185382.db2.gz GREBGWCATINSTO-NSHDSACASA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C(C)(C)C1 ZINC000967096147 811196835 /nfs/dbraw/zinc/19/68/35/811196835.db2.gz UGVADKJXCIVIKQ-VIFPVBQESA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)N1CCN(C2CN(C(=O)c3n[nH]c(C)c3[O-])C2)CC1 ZINC000967148893 811205993 /nfs/dbraw/zinc/20/59/93/811205993.db2.gz IZOJEGHOXZWMDO-UHFFFAOYSA-N -1 0 307.354 -0.588 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cn[nH]n1 ZINC000967187756 811218213 /nfs/dbraw/zinc/21/82/13/811218213.db2.gz XDBWMLIWUDKVOV-IONNQARKSA-N -1 0 306.330 -0.731 20 0 DBADRM CC(=O)N(C)[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000967429346 811258720 /nfs/dbraw/zinc/25/87/20/811258720.db2.gz QLYJAQVDMKTBEV-SECBINFHSA-N -1 0 309.326 -0.244 20 0 DBADRM CCN(C(C)=O)C1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000967720509 811285117 /nfs/dbraw/zinc/28/51/17/811285117.db2.gz ZSRJZEHXUXWNJN-UHFFFAOYSA-N -1 0 318.337 -0.850 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC000967802352 811298890 /nfs/dbraw/zinc/29/88/90/811298890.db2.gz FKPSDSZRTRJRIX-DTORHVGOSA-N -1 0 322.321 -0.268 20 0 DBADRM CCC(=O)N1CC(N(CC)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000968216333 811365093 /nfs/dbraw/zinc/36/50/93/811365093.db2.gz RZLOCHJEVCUNRO-UHFFFAOYSA-N -1 0 308.338 -0.431 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ncccn1 ZINC000968450424 811412153 /nfs/dbraw/zinc/41/21/53/811412153.db2.gz UQIQJLLJQDGHGE-UWVGGRQHSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ncccn1 ZINC000968450423 811412361 /nfs/dbraw/zinc/41/23/61/811412361.db2.gz UQIQJLLJQDGHGE-NXEZZACHSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@H]1CCN(CCF)C[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000968593490 811452558 /nfs/dbraw/zinc/45/25/58/811452558.db2.gz WBZOVSRSBHCXGV-IUCAKERBSA-N -1 0 301.322 -0.515 20 0 DBADRM C[C@@H]1CCN(CCF)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000968593491 811452733 /nfs/dbraw/zinc/45/27/33/811452733.db2.gz WBZOVSRSBHCXGV-RKDXNWHRSA-N -1 0 301.322 -0.515 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1C ZINC000968697522 811477341 /nfs/dbraw/zinc/47/73/41/811477341.db2.gz GOPYDWACIOWICK-APPZFPTMSA-N -1 0 321.341 -0.158 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCCCN2CC(N)=O)c1[O-] ZINC000968806621 811494735 /nfs/dbraw/zinc/49/47/35/811494735.db2.gz LDTVNURELHSDPZ-JTQLQIEISA-N -1 0 309.370 -0.117 20 0 DBADRM C[C@H](N[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1)c1nncn1C ZINC000969035319 811537322 /nfs/dbraw/zinc/53/73/22/811537322.db2.gz PHDWTYAUKCTPEG-VHSXEESVSA-N -1 0 317.353 -0.124 20 0 DBADRM CCn1cc(CN[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)nn1 ZINC000969034737 811537550 /nfs/dbraw/zinc/53/75/50/811537550.db2.gz HHZVQWWRKAFDIC-SNVBAGLBSA-N -1 0 317.353 -0.202 20 0 DBADRM CCc1n[nH]cc1C(=O)N1CC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 ZINC000969175640 811552526 /nfs/dbraw/zinc/55/25/26/811552526.db2.gz YARKESMLUOYHLX-SECBINFHSA-N -1 0 319.369 -0.602 20 0 DBADRM Cc1cnc(CN[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC000969211631 811553222 /nfs/dbraw/zinc/55/32/22/811553222.db2.gz JQUXSHQDJVUKJC-MRVPVSSYSA-N -1 0 320.309 -0.416 20 0 DBADRM Cc1cc(CN[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)no1 ZINC000969211818 811553481 /nfs/dbraw/zinc/55/34/81/811553481.db2.gz NLKLAHFPHMCVSA-MRVPVSSYSA-N -1 0 320.309 -0.416 20 0 DBADRM C[C@H](NC(=O)c1cnccn1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000969229816 811554113 /nfs/dbraw/zinc/55/41/13/811554113.db2.gz BLNDLNGOAGUHLO-VIFPVBQESA-N -1 0 317.353 -0.851 20 0 DBADRM C[C@H](NC(=O)c1ccc(=O)[nH]n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969252428 811555408 /nfs/dbraw/zinc/55/54/08/811555408.db2.gz SAFVVFJMWPIZNZ-ZETCQYMHSA-N -1 0 319.325 -0.744 20 0 DBADRM Cc1cc(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC000969352008 811561402 /nfs/dbraw/zinc/56/14/02/811561402.db2.gz QMJQQFXDWVZTMG-MRVPVSSYSA-N -1 0 305.342 -0.208 20 0 DBADRM O=C(N[C@H]1CCC[C@H](NC(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000983397182 811592404 /nfs/dbraw/zinc/59/24/04/811592404.db2.gz CQKUTMWHBXRTNU-IUCAKERBSA-N -1 0 321.337 -0.150 20 0 DBADRM CC(=O)N1CCCC[C@H]1CN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000990449413 811642578 /nfs/dbraw/zinc/64/25/78/811642578.db2.gz IJHXGOASTDDNIH-NSHDSACASA-N -1 0 322.365 -0.041 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000990471347 811655892 /nfs/dbraw/zinc/65/58/92/811655892.db2.gz WVTMHWURPBCYKD-RKDXNWHRSA-N -1 0 322.321 -0.827 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000990471343 811655947 /nfs/dbraw/zinc/65/59/47/811655947.db2.gz WVTMHWURPBCYKD-DTWKUNHWSA-N -1 0 322.321 -0.827 20 0 DBADRM COC(=O)[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000990471342 811656050 /nfs/dbraw/zinc/65/60/50/811656050.db2.gz WVTMHWURPBCYKD-BDAKNGLRSA-N -1 0 322.321 -0.827 20 0 DBADRM Cc1ncc(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)[nH]1 ZINC000990493974 811666051 /nfs/dbraw/zinc/66/60/51/811666051.db2.gz UOPSEWZHOSWUPS-UHFFFAOYSA-N -1 0 304.310 -0.290 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC=CC1 ZINC000990572902 811707130 /nfs/dbraw/zinc/70/71/30/811707130.db2.gz CWIJVGFFGUGHFW-UHFFFAOYSA-N -1 0 305.294 -0.810 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCCCN2C(=O)C(N)=O)c1[O-] ZINC000990582011 811710940 /nfs/dbraw/zinc/71/09/40/811710940.db2.gz FJOAZFDHSVSPQF-VIFPVBQESA-N -1 0 323.353 -0.638 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000990697233 811745302 /nfs/dbraw/zinc/74/53/02/811745302.db2.gz DTAJSMZIDAWUDY-JZYVYDRUSA-N -1 0 321.337 -0.938 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3ccc(=O)[nH]c3)C2)c1[O-] ZINC000990859463 811790647 /nfs/dbraw/zinc/79/06/47/811790647.db2.gz JTLCPTJTUUOPCL-UHFFFAOYSA-N -1 0 317.305 -0.221 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@H]3OCC[C@H]3C)C2)c1[O-] ZINC000990858761 811790654 /nfs/dbraw/zinc/79/06/54/811790654.db2.gz JQZCGBKMBDXLPZ-KRTXAFLBSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CO[C@@H](C)C3)C2)c1[O-] ZINC000990861271 811791481 /nfs/dbraw/zinc/79/14/81/811791481.db2.gz TWOQGMHJVDEZFT-CBAPKCEASA-N -1 0 308.338 -0.211 20 0 DBADRM CO[C@H](C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1)C1CC1 ZINC000990863122 811792608 /nfs/dbraw/zinc/79/26/08/811792608.db2.gz CMQJIDJCRZXKGI-LBPRGKRZSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cn(C)cn3)C2)c1[O-] ZINC000990863167 811792764 /nfs/dbraw/zinc/79/27/64/811792764.db2.gz CZKIEZQLNRHNJN-UHFFFAOYSA-N -1 0 304.310 -0.588 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3ncc(F)cn3)C[C@H]2O)c1[O-] ZINC001040974891 815475704 /nfs/dbraw/zinc/47/57/04/815475704.db2.gz DQTGRFRSKLWSRY-RKDXNWHRSA-N -1 0 322.300 -0.668 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3ccc(=O)[nH]n3)C2)c1[O-] ZINC000990866580 811793889 /nfs/dbraw/zinc/79/38/89/811793889.db2.gz XBBMJLKBECKXFT-UHFFFAOYSA-N -1 0 318.293 -0.826 20 0 DBADRM Cc1cnn(CC(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)c1 ZINC000990866695 811794080 /nfs/dbraw/zinc/79/40/80/811794080.db2.gz YJBXPOISNZWBJN-UHFFFAOYSA-N -1 0 318.337 -0.431 20 0 DBADRM Cc1cc(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)n(C)n1 ZINC000990864886 811794218 /nfs/dbraw/zinc/79/42/18/811794218.db2.gz OCEQPYSOZCBCEJ-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)Cc3ccc[nH]3)C2)c1[O-] ZINC000990869300 811795038 /nfs/dbraw/zinc/79/50/38/811795038.db2.gz WUESXDAYZFPDSZ-UHFFFAOYSA-N -1 0 303.322 -0.065 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3ncccc3O)C2)c1[O-] ZINC000990969750 811833799 /nfs/dbraw/zinc/83/37/99/811833799.db2.gz NLXOTPJHQKLODR-UHFFFAOYSA-N -1 0 317.305 -0.221 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC[C@H]1C ZINC001004303163 811970732 /nfs/dbraw/zinc/97/07/32/811970732.db2.gz LXMTUXTVCNJYGN-LDYMZIIASA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C1CC1 ZINC001004312208 811972419 /nfs/dbraw/zinc/97/24/19/811972419.db2.gz GJNHXAAQUYHBHB-IONNQARKSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H]1CCN(C(=O)C2CC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001005089206 812028386 /nfs/dbraw/zinc/02/83/86/812028386.db2.gz SWFMNHXCFPXTMZ-IONNQARKSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1n[nH]nc1C(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005805577 812114774 /nfs/dbraw/zinc/11/47/74/812114774.db2.gz MSTHVDHHXZFGQP-UHFFFAOYSA-N -1 0 320.357 -0.327 20 0 DBADRM CC(=O)N1CC([C@H](C)NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001006107758 812158526 /nfs/dbraw/zinc/15/85/26/812158526.db2.gz GSXRBSVQVSXFKD-QMMMGPOBSA-N -1 0 303.322 -0.381 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001006841316 812251302 /nfs/dbraw/zinc/25/13/02/812251302.db2.gz BHCWNWMSQZTWKK-SECBINFHSA-N -1 0 305.342 -0.064 20 0 DBADRM Nc1nccnc1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001006964715 812261616 /nfs/dbraw/zinc/26/16/16/812261616.db2.gz LQLOHRAFQNIXLO-QMMMGPOBSA-N -1 0 318.341 -0.723 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(Cc3cnnn3C)C2)c1[O-] ZINC001007122768 812268802 /nfs/dbraw/zinc/26/88/02/812268802.db2.gz SZJWSGKYCJONGI-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM CCn1nncc1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007277985 812292484 /nfs/dbraw/zinc/29/24/84/812292484.db2.gz ZZMWYLVLNLRTAL-SECBINFHSA-N -1 0 320.357 -0.484 20 0 DBADRM Cc1c[nH]nc1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007304750 812295301 /nfs/dbraw/zinc/29/53/01/812295301.db2.gz QGTIYEHRBBMZAS-SECBINFHSA-N -1 0 305.342 -0.064 20 0 DBADRM CN1C[C@H](C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001007453122 812311457 /nfs/dbraw/zinc/31/14/57/812311457.db2.gz QHSWUYICFZSMND-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C(C[C@@H]1CCNC1=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007488163 812316359 /nfs/dbraw/zinc/31/63/59/812316359.db2.gz LJGJZDYBJFCWTO-UWVGGRQHSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCNC1=O ZINC001007535445 812323400 /nfs/dbraw/zinc/32/34/00/812323400.db2.gz PWALTEQSYZOLQI-ZJUUUORDSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cn[nH]c(=O)c1 ZINC001007545148 812324162 /nfs/dbraw/zinc/32/41/62/812324162.db2.gz DVHHGSXQNGWYGB-VIFPVBQESA-N -1 0 319.325 -0.600 20 0 DBADRM Cc1ncn(C)c1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007542068 812324444 /nfs/dbraw/zinc/32/44/44/812324444.db2.gz LIMQMUOKIZXTMS-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM O=C([C@@H]1CCOC1)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041128273 815524612 /nfs/dbraw/zinc/52/46/12/815524612.db2.gz QOMKQPMBZXVOJD-IAQYHMDHSA-N -1 0 321.381 -0.029 20 0 DBADRM CCC(=O)N[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC1(C)C ZINC001007752043 812352476 /nfs/dbraw/zinc/35/24/76/812352476.db2.gz SZQOVNAGKBBSGO-JTQLQIEISA-N -1 0 322.365 -0.137 20 0 DBADRM COc1nc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001008074226 812379830 /nfs/dbraw/zinc/37/98/30/812379830.db2.gz ZDNGSMSACYAJJB-QMMMGPOBSA-N -1 0 322.325 -0.099 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008122155 812384622 /nfs/dbraw/zinc/38/46/22/812384622.db2.gz KRMHGUHWSQHKPQ-VIFPVBQESA-N -1 0 305.342 -0.064 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C(C)(C)F)C2)c1[O-] ZINC001041124964 815522880 /nfs/dbraw/zinc/52/28/80/815522880.db2.gz GVEWCBKWHFKBGZ-UHFFFAOYSA-N -1 0 314.317 -0.525 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1=O ZINC001008248002 812405768 /nfs/dbraw/zinc/40/57/68/812405768.db2.gz LSTBQWUKOHDTCT-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1=O ZINC001008248004 812406227 /nfs/dbraw/zinc/40/62/27/812406227.db2.gz LSTBQWUKOHDTCT-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnnc1 ZINC001008643233 812455352 /nfs/dbraw/zinc/45/53/52/812455352.db2.gz WFKSMBARPODTEN-SNVBAGLBSA-N -1 0 303.326 -0.305 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001008864924 812481593 /nfs/dbraw/zinc/48/15/93/812481593.db2.gz ZTQGQRXGZIDHGS-QMMMGPOBSA-N -1 0 306.330 -0.967 20 0 DBADRM CCn1cc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001009020964 812501106 /nfs/dbraw/zinc/50/11/06/812501106.db2.gz GWKGJSWCBWIBRG-SECBINFHSA-N -1 0 320.357 -0.484 20 0 DBADRM NC(=O)CN1CCC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001009204719 812518778 /nfs/dbraw/zinc/51/87/78/812518778.db2.gz QJZGQXPCRVTQMS-MRVPVSSYSA-N -1 0 319.321 -0.392 20 0 DBADRM CCCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001009287075 812528484 /nfs/dbraw/zinc/52/84/84/812528484.db2.gz KSVUIFUWSNFRKB-PSVAKVPMSA-N -1 0 321.337 -0.483 20 0 DBADRM O=C(Cn1ccnc1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001009708902 812578464 /nfs/dbraw/zinc/57/84/64/812578464.db2.gz OULRFWMDSGKXMI-SNVBAGLBSA-N -1 0 305.342 -0.512 20 0 DBADRM CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC001009765982 812588454 /nfs/dbraw/zinc/58/84/54/812588454.db2.gz KAQJCAZVEROQNC-GARJFASQSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1cnc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001010000740 812608232 /nfs/dbraw/zinc/60/82/32/812608232.db2.gz HVZYEIGLAORZRV-VIFPVBQESA-N -1 0 303.326 -0.387 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc[n+]([O-])cc1 ZINC001010030738 812611539 /nfs/dbraw/zinc/61/15/39/812611539.db2.gz NXLVCKYMORYDTF-SNVBAGLBSA-N -1 0 304.310 -0.852 20 0 DBADRM CC(=O)NC[C@H]1C[C@@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001010234541 812640402 /nfs/dbraw/zinc/64/04/02/812640402.db2.gz DHJKECINGHVGTB-PSASIEDQSA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@H]1C[C@@H](CNC(=O)C2CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001010236869 812641709 /nfs/dbraw/zinc/64/17/09/812641709.db2.gz LQQBOLAGMYBICQ-YUMQZZPRSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC001010285464 812652846 /nfs/dbraw/zinc/65/28/46/812652846.db2.gz JXVRQCDJVBJZDB-ZJUUUORDSA-N -1 0 305.342 -0.342 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN([C@H]3CCCN(C)C3=O)C2)c1[O-] ZINC001010631861 812729936 /nfs/dbraw/zinc/72/99/36/812729936.db2.gz UYFMHTALGBPUEE-MNOVXSKESA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1nnc(CN2CC[C@@H](NC(=O)c3[nH]nc(C)c3[O-])C2)[nH]1 ZINC001010645788 812732250 /nfs/dbraw/zinc/73/22/50/812732250.db2.gz ZWTYERAMADZTIK-SECBINFHSA-N -1 0 305.342 -0.145 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001010693340 812743669 /nfs/dbraw/zinc/74/36/69/812743669.db2.gz YIBOERYBPHWFAE-DTWKUNHWSA-N -1 0 306.330 -0.947 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001010693338 812743986 /nfs/dbraw/zinc/74/39/86/812743986.db2.gz YIBOERYBPHWFAE-BDAKNGLRSA-N -1 0 306.330 -0.947 20 0 DBADRM O=C(CC1OCCCO1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010750035 812760097 /nfs/dbraw/zinc/76/00/97/812760097.db2.gz USXAOMONVPIILG-SECBINFHSA-N -1 0 311.342 -0.646 20 0 DBADRM C[C@@H](C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1)C1CC1 ZINC001010916304 812800442 /nfs/dbraw/zinc/80/04/42/812800442.db2.gz ZEKMNPUCAORYDK-SECBINFHSA-N -1 0 323.353 -0.594 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041252055 815556106 /nfs/dbraw/zinc/55/61/06/815556106.db2.gz PBUHZNQAXSFVNB-IUODEOHRSA-N -1 0 323.397 -0.048 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3cnon3)CC2)c1[O-] ZINC001011007143 812810787 /nfs/dbraw/zinc/81/07/87/812810787.db2.gz MYIGWBLLTZXVCE-UHFFFAOYSA-N -1 0 306.282 -0.595 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)[C@H](O)C(C)C)CC2)c1[O-] ZINC001011006836 812810908 /nfs/dbraw/zinc/81/09/08/812810908.db2.gz HUSZTGZHDRJHED-LLVKDONJSA-N -1 0 310.354 -0.275 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)Cc3ncc[nH]3)CC2)c1[O-] ZINC001011007798 812812233 /nfs/dbraw/zinc/81/22/33/812812233.db2.gz ZOKIJMNMDRNIPK-UHFFFAOYSA-N -1 0 318.337 -0.326 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H]1C ZINC001011351414 812883949 /nfs/dbraw/zinc/88/39/49/812883949.db2.gz XNAWUYBCKNZYPZ-LDYMZIIASA-N -1 0 318.337 -0.803 20 0 DBADRM C[C@@H]1[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)CC1CC1 ZINC001011375053 812885575 /nfs/dbraw/zinc/88/55/75/812885575.db2.gz ROWQPEVELIKLCC-PSASIEDQSA-N -1 0 323.353 -0.405 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)[C@H]2C)c1[O-] ZINC001011591388 812916972 /nfs/dbraw/zinc/91/69/72/812916972.db2.gz LWZKKBHLMRZCCU-JGVFFNPUSA-N -1 0 309.326 -0.982 20 0 DBADRM CC[C@H](F)C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001011737543 812938862 /nfs/dbraw/zinc/93/88/62/812938862.db2.gz HZQQFMCIOOXPIE-ZETCQYMHSA-N -1 0 313.289 -0.685 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001011736869 812939448 /nfs/dbraw/zinc/93/94/48/812939448.db2.gz ULHVMSMYODUHFZ-DTWKUNHWSA-N -1 0 321.337 -0.387 20 0 DBADRM C[C@@H]1[C@H](NC(=O)C2(C)CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001011943622 812973632 /nfs/dbraw/zinc/97/36/32/812973632.db2.gz PXJOATPDHCUHDH-RKDXNWHRSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@@H]1[C@H](NC(=O)C2CC2)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001011948179 812975248 /nfs/dbraw/zinc/97/52/48/812975248.db2.gz MYTKXGVXXPEJIO-LDYMZIIASA-N -1 0 320.349 -0.385 20 0 DBADRM CCC(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC001012099414 813012241 /nfs/dbraw/zinc/01/22/41/813012241.db2.gz FMYADYMUEUQAJA-IUCAKERBSA-N -1 0 308.338 -0.385 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H]1C ZINC001012119065 813014776 /nfs/dbraw/zinc/01/47/76/813014776.db2.gz RNWOPMGVDYXXTL-PSASIEDQSA-N -1 0 318.337 -0.803 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)C1CCC1 ZINC001012144490 813016967 /nfs/dbraw/zinc/01/69/67/813016967.db2.gz WDISUJNAKYOPBX-PSASIEDQSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C1CCC1 ZINC001012146075 813017819 /nfs/dbraw/zinc/01/78/19/813017819.db2.gz ZGMHFPKDEZQSHQ-CBAPKCEASA-N -1 0 321.337 -0.198 20 0 DBADRM CCCC(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001012194158 813023348 /nfs/dbraw/zinc/02/33/48/813023348.db2.gz OTIUCLRPSIRMDT-YUMQZZPRSA-N -1 0 309.326 -0.198 20 0 DBADRM CC(C)=CC(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001012238587 813025639 /nfs/dbraw/zinc/02/56/39/813025639.db2.gz YMCGKZRFLMDMMZ-RKDXNWHRSA-N -1 0 321.337 -0.032 20 0 DBADRM CC(C)=CC(=O)NCC1(O)CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001041313590 815572811 /nfs/dbraw/zinc/57/28/11/815572811.db2.gz IEKQFNNNGOIFGS-UHFFFAOYSA-N -1 0 308.338 -0.307 20 0 DBADRM C/C=C(\C)C(=O)N1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001012449400 813058191 /nfs/dbraw/zinc/05/81/91/813058191.db2.gz LKEBECMHYYQWLF-GNKRQNHBSA-N -1 0 323.353 -0.239 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NC(=O)c3cnon3)C[C@H]2C)c1[O-] ZINC001012495074 813060727 /nfs/dbraw/zinc/06/07/27/813060727.db2.gz NDGABZJTPSZLAT-HTRCEHHLSA-N -1 0 320.309 -0.160 20 0 DBADRM CC(=O)N[C@@H]1C[C@H](C)N(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001013143808 813111167 /nfs/dbraw/zinc/11/11/67/813111167.db2.gz WMJAEGHHCIXTLQ-IONNQARKSA-N -1 0 309.326 -0.659 20 0 DBADRM CC(C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001013412404 813138229 /nfs/dbraw/zinc/13/82/29/813138229.db2.gz LVGSDMYKRNGZFD-HTQZYQBOSA-N -1 0 309.326 -0.342 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C2(C)CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013413678 813138279 /nfs/dbraw/zinc/13/82/79/813138279.db2.gz PHFQIQCIFYOFKF-HTQZYQBOSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)CC2CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013490424 813141590 /nfs/dbraw/zinc/14/15/90/813141590.db2.gz ZYMYVJMIYVATSH-PSASIEDQSA-N -1 0 323.353 -0.405 20 0 DBADRM CCC(=O)N[C@@]12CCC[C@@H]1N(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC001014106556 813210008 /nfs/dbraw/zinc/21/00/08/813210008.db2.gz KRIMJWBXXGYYKE-LKFCYVNXSA-N -1 0 323.353 -0.261 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)c1[O-] ZINC001014445989 813246579 /nfs/dbraw/zinc/24/65/79/813246579.db2.gz NQEQGMMFSMFXKK-RMLUDKJBSA-N -1 0 321.337 -0.838 20 0 DBADRM COc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)sn1 ZINC001014478461 813253222 /nfs/dbraw/zinc/25/32/22/813253222.db2.gz HFDDTTLXAQIYBL-SSDOTTSWSA-N -1 0 324.366 -0.020 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC001014512382 813257744 /nfs/dbraw/zinc/25/77/44/813257744.db2.gz DQZKGGLCYJWLLP-GARJFASQSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC001014604097 813271608 /nfs/dbraw/zinc/27/16/08/813271608.db2.gz SQXWTLPJBQTQQH-GARJFASQSA-N -1 0 323.353 -0.548 20 0 DBADRM CCN1C[C@@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001014639808 813284111 /nfs/dbraw/zinc/28/41/11/813284111.db2.gz XYTHRKPSJWQTFL-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1c(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001014675915 813290355 /nfs/dbraw/zinc/29/03/55/813290355.db2.gz CBHPBVPZXGFLIH-LLVKDONJSA-N -1 0 319.369 -0.515 20 0 DBADRM C[C@H]1[C@H](NC(=O)C2CC2)CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001014682157 813291779 /nfs/dbraw/zinc/29/17/79/813291779.db2.gz ZINCHYAMLLYVPV-WCBMZHEXSA-N -1 0 323.353 -0.405 20 0 DBADRM Cc1nn(C)cc1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014752034 813306251 /nfs/dbraw/zinc/30/62/51/813306251.db2.gz IRUIJNOEVLSJEF-NSHDSACASA-N -1 0 319.369 -0.515 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014838147 813320866 /nfs/dbraw/zinc/32/08/66/813320866.db2.gz JOFIPRRTYUNYQK-ZETCQYMHSA-N -1 0 307.314 -0.748 20 0 DBADRM O=C(Cc1cncs1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014841155 813322166 /nfs/dbraw/zinc/32/21/66/813322166.db2.gz TWJGGCGEVASUCC-QMMMGPOBSA-N -1 0 308.367 -0.100 20 0 DBADRM CN1CC[C@H](CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1=O ZINC001014857745 813324538 /nfs/dbraw/zinc/32/45/38/813324538.db2.gz XFLSRLGTKLDNKA-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)[C@H]2C)c1[O-] ZINC001014876280 813330369 /nfs/dbraw/zinc/33/03/69/813330369.db2.gz DWGWXYLZSKYHCM-JGVFFNPUSA-N -1 0 309.326 -0.982 20 0 DBADRM Cn1ccc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cc1=O ZINC001014974390 813345116 /nfs/dbraw/zinc/34/51/16/813345116.db2.gz ILXFXCRTWBNGRM-JTQLQIEISA-N -1 0 318.337 -0.787 20 0 DBADRM CCc1n[nH]cc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015062178 813360183 /nfs/dbraw/zinc/36/01/83/813360183.db2.gz YCNDGUPPNFPKNM-QMMMGPOBSA-N -1 0 305.342 -0.200 20 0 DBADRM CCc1nnsc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015151812 813379290 /nfs/dbraw/zinc/37/92/90/813379290.db2.gz CWEACTNKEDBFSX-ZETCQYMHSA-N -1 0 323.382 -0.072 20 0 DBADRM CCc1nnsc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015151811 813379555 /nfs/dbraw/zinc/37/95/55/813379555.db2.gz CWEACTNKEDBFSX-SSDOTTSWSA-N -1 0 323.382 -0.072 20 0 DBADRM COc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001015219499 813392722 /nfs/dbraw/zinc/39/27/22/813392722.db2.gz YXKGSKGZTGMOMB-QMMMGPOBSA-N -1 0 321.341 -0.743 20 0 DBADRM CC(=O)NC[C@@H]1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001015515198 813446089 /nfs/dbraw/zinc/44/60/89/813446089.db2.gz LZQDWCYYSMRLJF-ZJUUUORDSA-N -1 0 308.338 -0.480 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015588984 813467551 /nfs/dbraw/zinc/46/75/51/813467551.db2.gz WGWDZJCEMYFRBP-QMMMGPOBSA-N -1 0 319.325 -0.681 20 0 DBADRM C[C@@]1(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCC(=O)NC1 ZINC001015591665 813469674 /nfs/dbraw/zinc/46/96/74/813469674.db2.gz IDVGDWMRQVFTRE-YMTOWFKASA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cncnc1 ZINC001015606469 813472237 /nfs/dbraw/zinc/47/22/37/813472237.db2.gz CNOPWKLJDLXDEX-KOLCDFICSA-N -1 0 317.353 -0.206 20 0 DBADRM Cc1ncc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC001015612456 813474969 /nfs/dbraw/zinc/47/49/69/813474969.db2.gz WFHVRTHNTSQRPD-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nc(C)n1 ZINC001015838241 813539289 /nfs/dbraw/zinc/53/92/89/813539289.db2.gz JTVPHVQCAYDOIL-SNVBAGLBSA-N -1 0 317.353 -0.079 20 0 DBADRM COc1ncc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001015937547 813567335 /nfs/dbraw/zinc/56/73/35/813567335.db2.gz GENYGOVDWVKLLT-VIFPVBQESA-N -1 0 319.325 -0.687 20 0 DBADRM CC[C@@H](F)CN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016110207 813600454 /nfs/dbraw/zinc/60/04/54/813600454.db2.gz JLVOYGHWMVXTDY-BDAKNGLRSA-N -1 0 301.322 -0.372 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(Cc2ccccn2)C1 ZINC001016111161 813600496 /nfs/dbraw/zinc/60/04/96/813600496.db2.gz QGPZYGYUPNJKOW-LLVKDONJSA-N -1 0 318.337 -0.525 20 0 DBADRM CCc1nc[nH]c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016137650 813606447 /nfs/dbraw/zinc/60/64/47/813606447.db2.gz VXGOEKXEOKUEME-MRVPVSSYSA-N -1 0 305.342 -0.200 20 0 DBADRM CCc1ncncc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016276296 813639305 /nfs/dbraw/zinc/63/93/05/813639305.db2.gz WEPTYKRZZZVKGC-VIFPVBQESA-N -1 0 317.353 -0.133 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016359379 813656623 /nfs/dbraw/zinc/65/66/23/813656623.db2.gz IGOGYTZXPYBQCC-GHMZBOCLSA-N -1 0 322.369 -0.788 20 0 DBADRM CC(C)C(=O)NC1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016816333 813724884 /nfs/dbraw/zinc/72/48/84/813724884.db2.gz PNYOJCXVDQUSHF-UHFFFAOYSA-N -1 0 311.342 -0.549 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC(NC(=O)C2CCC2)C1 ZINC001016816580 813725397 /nfs/dbraw/zinc/72/53/97/813725397.db2.gz SAWZGTUUOSEYGZ-UHFFFAOYSA-N -1 0 323.353 -0.405 20 0 DBADRM Cn1ccc(C(=O)N2CC=C(CNC(=O)c3cn[nH]n3)CC2)n1 ZINC001017567270 813808899 /nfs/dbraw/zinc/80/88/99/813808899.db2.gz QSRWDAYNJQOCPX-UHFFFAOYSA-N -1 0 315.337 -0.260 20 0 DBADRM CCC(=O)N1CC=C(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001017593176 813811490 /nfs/dbraw/zinc/81/14/90/813811490.db2.gz GWUUSDWMJFGRJO-UHFFFAOYSA-N -1 0 307.310 -0.419 20 0 DBADRM O=C(NCC1=CCN(C(=O)C2CC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001017592953 813811517 /nfs/dbraw/zinc/81/15/17/813811517.db2.gz CRUOFUIWBUGKIP-UHFFFAOYSA-N -1 0 319.321 -0.419 20 0 DBADRM CCC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001017864966 813844058 /nfs/dbraw/zinc/84/40/58/813844058.db2.gz OLAOFVDFFODOJW-RKDXNWHRSA-N -1 0 311.342 -0.405 20 0 DBADRM CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001018075011 813861567 /nfs/dbraw/zinc/86/15/67/813861567.db2.gz ICCNSALGSNPBLH-PHIMTYICSA-N -1 0 316.365 -0.234 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)CC(N)=O)C2)c1[O-] ZINC001018088388 813862272 /nfs/dbraw/zinc/86/22/72/813862272.db2.gz NQBLJNHILJDSSA-VXNVDRBHSA-N -1 0 323.353 -0.592 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C1CC1 ZINC001018289738 813887299 /nfs/dbraw/zinc/88/72/99/813887299.db2.gz NIQDBHYULZONIG-VXNVDRBHSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)C1CC1 ZINC001018309013 813889478 /nfs/dbraw/zinc/88/94/78/813889478.db2.gz ZUGSCVAMVBBLND-WCBMZHEXSA-N -1 0 323.353 -0.405 20 0 DBADRM CCC(=O)N1CC[C@H](C)[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001018451982 813914029 /nfs/dbraw/zinc/91/40/29/813914029.db2.gz OMSQXGVALKFUFP-IUCAKERBSA-N -1 0 323.353 -0.093 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@H]1C ZINC001018596897 813935281 /nfs/dbraw/zinc/93/52/81/813935281.db2.gz GSAPHZVKHUGQBK-APPZFPTMSA-N -1 0 309.326 -0.483 20 0 DBADRM CCC(=O)N1CC2(C1)CCN(C(=O)c1cnc([O-])n(C)c1=O)C2 ZINC001018647301 813949026 /nfs/dbraw/zinc/94/90/26/813949026.db2.gz WCIXVJKUBICLMI-UHFFFAOYSA-N -1 0 320.349 -0.430 20 0 DBADRM CC(=O)N1CC2(C1)CCN(C(=O)c1c[n-]n3c1nccc3=O)C2 ZINC001018655293 813951165 /nfs/dbraw/zinc/95/11/65/813951165.db2.gz SWZWHKASMKDZAA-UHFFFAOYSA-N -1 0 315.333 -0.283 20 0 DBADRM COCC(=O)N1CC2(C1)CCN(C(=O)c1n[nH]c(C)c1[O-])C2 ZINC001018685794 813959019 /nfs/dbraw/zinc/95/90/19/813959019.db2.gz MWHCYSBROFIORA-UHFFFAOYSA-N -1 0 308.338 -0.255 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001018721499 813967544 /nfs/dbraw/zinc/96/75/44/813967544.db2.gz IAHXVKTVAOJPDS-ZETCQYMHSA-N -1 0 307.314 -0.748 20 0 DBADRM CCC(=O)N1CCC2(CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC001019222900 814094100 /nfs/dbraw/zinc/09/41/00/814094100.db2.gz WAGPOYMYAWWYQR-UHFFFAOYSA-N -1 0 307.310 -0.633 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001019625282 814204384 /nfs/dbraw/zinc/20/43/84/814204384.db2.gz JQFBTWSNECDFEG-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)N1CC[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001019765301 814231145 /nfs/dbraw/zinc/23/11/45/814231145.db2.gz JBRQBMNFBJQQAZ-JTQLQIEISA-N -1 0 319.369 -0.217 20 0 DBADRM Cn1cncc1C(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001023471682 814383181 /nfs/dbraw/zinc/38/31/81/814383181.db2.gz KCPRQPUWUSPYFQ-JTQLQIEISA-N -1 0 319.369 -0.114 20 0 DBADRM O=C(c1ncccn1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029521178 814392032 /nfs/dbraw/zinc/39/20/32/814392032.db2.gz WKGRYALDACUOKK-AOOOYVTPSA-N -1 0 315.337 -0.211 20 0 DBADRM CN(C(=O)C[C@@H]1CCNC1=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033138256 814424718 /nfs/dbraw/zinc/42/47/18/814424718.db2.gz FZNKDNFLOQOLRI-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM COC1CC(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001033175912 814436312 /nfs/dbraw/zinc/43/63/12/814436312.db2.gz IWCIIYVIIQSNJE-YVNMAJEFSA-N -1 0 309.370 -0.032 20 0 DBADRM CN(C(=O)[C@]1(C)CNC(=O)C1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033289802 814465373 /nfs/dbraw/zinc/46/53/73/814465373.db2.gz LXOFQYYTLYXUOZ-XPTSAGLGSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1ncc(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC001033361204 814486567 /nfs/dbraw/zinc/48/65/67/814486567.db2.gz MYSDOZTYECGCEP-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C(=O)[C@@]1(F)CCOC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033367139 814488424 /nfs/dbraw/zinc/48/84/24/814488424.db2.gz FDEXWURNNNOUKI-TVQRCGJNSA-N -1 0 313.333 -0.328 20 0 DBADRM Cc1ccn(CC(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001033439367 814509647 /nfs/dbraw/zinc/50/96/47/814509647.db2.gz ZQCROTRQDSNICC-LLVKDONJSA-N -1 0 319.369 -0.252 20 0 DBADRM CN(C(=O)[C@@]1(C)CCOC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033536256 814535048 /nfs/dbraw/zinc/53/50/48/814535048.db2.gz KWKDZKBEYFSXHM-HZMBPMFUSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C(=O)Cc1cncn1C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033587013 814547963 /nfs/dbraw/zinc/54/79/63/814547963.db2.gz CTTZPBAFYIQZRI-SNVBAGLBSA-N -1 0 319.369 -0.481 20 0 DBADRM CN(C(=O)Cc1cncn1C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033587012 814548483 /nfs/dbraw/zinc/54/84/83/814548483.db2.gz CTTZPBAFYIQZRI-JTQLQIEISA-N -1 0 319.369 -0.481 20 0 DBADRM CCN(C(=O)[C@H]1CCOC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033774150 814585511 /nfs/dbraw/zinc/58/55/11/814585511.db2.gz PIQNEUBAYSLTTJ-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM CCN(C(=O)[C@H]1CCOC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033774149 814585604 /nfs/dbraw/zinc/58/56/04/814585604.db2.gz PIQNEUBAYSLTTJ-QWRGUYRKSA-N -1 0 309.370 -0.030 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])[C@@H]1CCN(CC(=O)NC)C1 ZINC001033804441 814586851 /nfs/dbraw/zinc/58/68/51/814586851.db2.gz WWELBCBTDFBMHO-SNVBAGLBSA-N -1 0 309.370 -0.294 20 0 DBADRM CCN(C(=O)[C@H]1COC(=O)N1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033817053 814589271 /nfs/dbraw/zinc/58/92/71/814589271.db2.gz QXKRHSKKUOOMMP-DTWKUNHWSA-N -1 0 324.341 -0.959 20 0 DBADRM CCN(C(=O)c1ncc[nH]1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033825852 814595037 /nfs/dbraw/zinc/59/50/37/814595037.db2.gz JQNSBGWMRYZKJD-VIFPVBQESA-N -1 0 305.342 -0.030 20 0 DBADRM CCN(C(=O)c1cnon1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033997831 814622813 /nfs/dbraw/zinc/62/28/13/814622813.db2.gz XJOCMDXYVVHPCY-MRVPVSSYSA-N -1 0 307.314 -0.370 20 0 DBADRM CCN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034028354 814625427 /nfs/dbraw/zinc/62/54/27/814625427.db2.gz ZFLXMVQNLAXHQV-UWVGGRQHSA-N -1 0 322.369 -0.788 20 0 DBADRM O=C(N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1COC(=O)N1 ZINC001034190129 814642989 /nfs/dbraw/zinc/64/29/89/814642989.db2.gz HUHWZYXWSQGIED-IUCAKERBSA-N -1 0 324.341 -0.911 20 0 DBADRM Cn1nncc1C(=O)N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034195054 814645105 /nfs/dbraw/zinc/64/51/05/814645105.db2.gz SAJSYIALNIHVAQ-VIFPVBQESA-N -1 0 320.357 -0.577 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]2CNCc2ncnn2C)c1[O-] ZINC001034908911 814742111 /nfs/dbraw/zinc/74/21/11/814742111.db2.gz TZLDOZQCTJCCOB-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H]1CNCc1ccon1 ZINC001035115041 814859590 /nfs/dbraw/zinc/85/95/90/814859590.db2.gz FZPWJRPYEMSMEV-SNVBAGLBSA-N -1 0 322.325 -0.542 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ccoc1 ZINC001035293076 814879132 /nfs/dbraw/zinc/87/91/32/814879132.db2.gz JBAXCKXYGZSMJF-SNVBAGLBSA-N -1 0 307.310 -0.266 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1cncs1 ZINC001035299974 814882533 /nfs/dbraw/zinc/88/25/33/814882533.db2.gz IKIQUHKBJKFGHD-MRVPVSSYSA-N -1 0 324.366 -0.402 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)C1=COCCC1 ZINC001035309329 814887192 /nfs/dbraw/zinc/88/71/92/814887192.db2.gz ISXFOFXMMIKKQG-LLVKDONJSA-N -1 0 323.353 -0.478 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035339187 814897520 /nfs/dbraw/zinc/89/75/20/814897520.db2.gz FNFTVDNRPGTJNJ-VHSXEESVSA-N -1 0 309.370 -0.127 20 0 DBADRM O=C(c1nc[nH]n1)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041747405 815712032 /nfs/dbraw/zinc/71/20/32/815712032.db2.gz SVFJFMKXCZKIOA-CYBMUJFWSA-N -1 0 318.341 -0.633 20 0 DBADRM O=C(c1cn[nH]c1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001041954847 815779860 /nfs/dbraw/zinc/77/98/60/815779860.db2.gz REJIOELWTVAQFF-KOLCDFICSA-N -1 0 317.353 -0.030 20 0 DBADRM O=C(c1cn[nH]c1)N1CC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001041954849 815779906 /nfs/dbraw/zinc/77/99/06/815779906.db2.gz REJIOELWTVAQFF-ONGXEEELSA-N -1 0 317.353 -0.030 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)/C=C\C3CC3)C2)c1[O-] ZINC001042312198 815883030 /nfs/dbraw/zinc/88/30/30/815883030.db2.gz KKBRKAZZEQQDNK-PLNGDYQASA-N -1 0 320.349 -0.307 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C=C3CCC3)C2)c1[O-] ZINC001042484254 815925856 /nfs/dbraw/zinc/92/58/56/815925856.db2.gz RFRMTPNSSNXLPF-UHFFFAOYSA-N -1 0 320.349 -0.163 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)CCCF)C2)c1[O-] ZINC001042579796 815958893 /nfs/dbraw/zinc/95/88/93/815958893.db2.gz CPGBTMCFYLYDGX-UHFFFAOYSA-N -1 0 314.317 -0.523 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(Cc3cnn(C)n3)C2)c1[O-] ZINC001042619897 815970187 /nfs/dbraw/zinc/97/01/87/815970187.db2.gz QNFGYRNKSFKSAE-UHFFFAOYSA-N -1 0 305.342 -0.491 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(CCS(C)(=O)=O)C2)c1[O-] ZINC001042620049 815970195 /nfs/dbraw/zinc/97/01/95/815970195.db2.gz SPDBXCFPJBRFIK-UHFFFAOYSA-N -1 0 316.383 -0.775 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(CC(=O)N3CCCC3)C2)c1[O-] ZINC001042619657 815970216 /nfs/dbraw/zinc/97/02/16/815970216.db2.gz GUVLZNHDTJIXJJ-UHFFFAOYSA-N -1 0 321.381 -0.198 20 0 DBADRM CCN1CC[C@H](N2CC(N(C)C(=O)c3n[nH]c(C)c3[O-])C2)C1=O ZINC001042619808 815970222 /nfs/dbraw/zinc/97/02/22/815970222.db2.gz NDECDXAXWARUMX-NSHDSACASA-N -1 0 321.381 -0.199 20 0 DBADRM CN(C(=O)[C@@H]1CCCOCC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042670414 815988091 /nfs/dbraw/zinc/98/80/91/815988091.db2.gz CHRZDDQOWAJWMG-SNVBAGLBSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1nnc(CC(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001042683219 815993507 /nfs/dbraw/zinc/99/35/07/815993507.db2.gz MLTLUMXPNNIWNN-UHFFFAOYSA-N -1 0 307.314 -0.913 20 0 DBADRM CCc1c[nH]c(CC(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001042970146 816084437 /nfs/dbraw/zinc/08/44/37/816084437.db2.gz UOUHCDOECJGAKL-UHFFFAOYSA-N -1 0 319.369 -0.319 20 0 DBADRM CCOc1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001043043596 816101461 /nfs/dbraw/zinc/10/14/61/816101461.db2.gz CNLFEMGYPJAELX-UHFFFAOYSA-N -1 0 321.341 -0.412 20 0 DBADRM CO[C@H]1CCC[C@@H]1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043143877 816127770 /nfs/dbraw/zinc/12/77/70/816127770.db2.gz PMESADFOXRXMQO-QWRGUYRKSA-N -1 0 309.370 -0.032 20 0 DBADRM CN(C(=O)c1ccc(=O)n(C)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043210533 816142964 /nfs/dbraw/zinc/14/29/64/816142964.db2.gz SOERSJOHWWCZOC-UHFFFAOYSA-N -1 0 318.337 -0.835 20 0 DBADRM Cc1oncc1CN1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001043231100 816149912 /nfs/dbraw/zinc/14/99/12/816149912.db2.gz RFOFTZHLMUJNOK-UHFFFAOYSA-N -1 0 320.309 -0.464 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N(C)C2CN(CC(N)=O)C2)cc1=O ZINC001043243462 816151231 /nfs/dbraw/zinc/15/12/31/816151231.db2.gz LVMMIYDJCQQTPH-UHFFFAOYSA-N -1 0 323.397 -0.997 20 0 DBADRM CN(C(=O)Cc1ccc(=O)[nH]c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043369664 816172532 /nfs/dbraw/zinc/17/25/32/816172532.db2.gz FRSVMKDSLCWXAY-UHFFFAOYSA-N -1 0 318.337 -0.504 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C3(C)CC3)C2)c1[O-] ZINC001043375670 816173765 /nfs/dbraw/zinc/17/37/65/816173765.db2.gz OKJGMLJXNXJZPG-UHFFFAOYSA-N -1 0 308.338 -0.473 20 0 DBADRM C[C@@H](F)CCN1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001043511647 816207501 /nfs/dbraw/zinc/20/75/01/816207501.db2.gz XADDSCLHPLGMRF-SECBINFHSA-N -1 0 312.345 -0.010 20 0 DBADRM C[C@H]1COCC[C@H]1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043800660 816273283 /nfs/dbraw/zinc/27/32/83/816273283.db2.gz XPFYOBXKQHAVLB-GXSJLCMTSA-N -1 0 309.370 -0.175 20 0 DBADRM C[C@@H]1COCC[C@H]1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043800664 816273453 /nfs/dbraw/zinc/27/34/53/816273453.db2.gz XPFYOBXKQHAVLB-MWLCHTKSSA-N -1 0 309.370 -0.175 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3ncccn3)C[C@@H]2O)c1[O-] ZINC001043894156 816308841 /nfs/dbraw/zinc/30/88/41/816308841.db2.gz VVZHDLBHKGLRBY-BDAKNGLRSA-N -1 0 304.310 -0.807 20 0 DBADRM COC[C@H](C)N1CC(N(C)C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001044019844 816336954 /nfs/dbraw/zinc/33/69/54/816336954.db2.gz HSQUWFNOJSTYGY-JTQLQIEISA-N -1 0 319.365 -0.186 20 0 DBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CN(CC2CC2)C1 ZINC001044062121 816346507 /nfs/dbraw/zinc/34/65/07/816346507.db2.gz YNOGMNXXCZLKGA-UHFFFAOYSA-N -1 0 316.365 -0.376 20 0 DBADRM CCn1ncc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)c1C ZINC001044082660 816352456 /nfs/dbraw/zinc/35/24/56/816352456.db2.gz BYZDTCGARJYKDR-UHFFFAOYSA-N -1 0 319.369 -0.008 20 0 DBADRM CCn1cc(CC(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001044171894 816377832 /nfs/dbraw/zinc/37/78/32/816377832.db2.gz SLHPBURTPQGREV-UHFFFAOYSA-N -1 0 319.369 -0.388 20 0 DBADRM CN(C(=O)Cc1cncn1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044188629 816381924 /nfs/dbraw/zinc/38/19/24/816381924.db2.gz MXORPJJPEXGHHK-UHFFFAOYSA-N -1 0 305.342 -0.871 20 0 DBADRM C[C@@H](F)CCN1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001044236133 816389582 /nfs/dbraw/zinc/38/95/82/816389582.db2.gz JVMUGGXXEDTPKS-MRVPVSSYSA-N -1 0 301.322 -0.420 20 0 DBADRM CC[C@@H](F)CN1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001044237174 816389954 /nfs/dbraw/zinc/38/99/54/816389954.db2.gz XGTMFKBCXPKTKZ-MRVPVSSYSA-N -1 0 301.322 -0.420 20 0 DBADRM CC[C@H](F)C(=O)NCC1(O)CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001044801738 816502698 /nfs/dbraw/zinc/50/26/98/816502698.db2.gz UKVYGHAHUDBMQF-QMMMGPOBSA-N -1 0 314.317 -0.525 20 0 DBADRM C[C@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001045198476 816586701 /nfs/dbraw/zinc/58/67/01/816586701.db2.gz OBCWLJNYAUXAAB-XPTSAGLGSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H]1CNCc1ccon1 ZINC001045288727 816608462 /nfs/dbraw/zinc/60/84/62/816608462.db2.gz FZPWJRPYEMSMEV-JTQLQIEISA-N -1 0 322.325 -0.542 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3[C@H](C)C(N)=O)c1[O-] ZINC001045755967 816689106 /nfs/dbraw/zinc/68/91/06/816689106.db2.gz MDBVSSJHPJDBDL-MXWKQRLJSA-N -1 0 321.381 -0.024 20 0 DBADRM C[C@@]1(NC(=O)[C@H]2COCCO2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046154251 816768185 /nfs/dbraw/zinc/76/81/85/816768185.db2.gz XDRBBQISVQKJQZ-NOZJJQNGSA-N -1 0 311.342 -0.994 20 0 DBADRM COc1cc(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001046255532 816795912 /nfs/dbraw/zinc/79/59/12/816795912.db2.gz QNPGHMGCLVYAMC-CYBMUJFWSA-N -1 0 322.325 -0.099 20 0 DBADRM Cn1cncc1C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046454000 816854841 /nfs/dbraw/zinc/85/48/41/816854841.db2.gz CSGRUBDQTTTWLP-CYBMUJFWSA-N -1 0 305.342 -0.362 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046526791 816868648 /nfs/dbraw/zinc/86/86/48/816868648.db2.gz CJAPOZHEVUCVLF-GFCCVEGCSA-N -1 0 306.330 -0.669 20 0 DBADRM Cc1ncc(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC001046574067 816890805 /nfs/dbraw/zinc/89/08/05/816890805.db2.gz PPHPSMCUNCCIES-CQSZACIVSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(NC[C@H]1C[C@@H](Nc2ncccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001046660180 816913012 /nfs/dbraw/zinc/91/30/12/816913012.db2.gz ZKSHPBADYOBUGP-OCAPTIKFSA-N -1 0 317.309 -0.307 20 0 DBADRM CN(C(=O)C(C)(F)F)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047276486 817033516 /nfs/dbraw/zinc/03/35/16/817033516.db2.gz YZZLDHSUJOCTHR-BQBZGAKWSA-N -1 0 305.285 -0.831 20 0 DBADRM CN(C(=O)c1cncs1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047316550 817057894 /nfs/dbraw/zinc/05/78/94/817057894.db2.gz BJLXDDOLGKPDJH-YUMQZZPRSA-N -1 0 324.366 -0.716 20 0 DBADRM CN(C(=O)C1=CCCC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047345176 817075743 /nfs/dbraw/zinc/07/57/43/817075743.db2.gz KQPKNSXRSKJJEB-QWRGUYRKSA-N -1 0 307.354 -0.376 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CN(Cc3cnon3)C[C@@H]2O)c1[O-] ZINC001047350664 817079536 /nfs/dbraw/zinc/07/95/36/817079536.db2.gz JOGWKNDPISNZFH-UWVGGRQHSA-N -1 0 322.325 -0.876 20 0 DBADRM C[C@H](C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCC1 ZINC001047424770 817125186 /nfs/dbraw/zinc/12/51/86/817125186.db2.gz WKHOQFWVNWVKBH-DLOVCJGASA-N -1 0 323.397 -0.050 20 0 DBADRM Cc1cocc1C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047489874 817166130 /nfs/dbraw/zinc/16/61/30/817166130.db2.gz WCXVHTSTWHPDGQ-QWRGUYRKSA-N -1 0 321.337 -0.271 20 0 DBADRM CN(C(=O)C(C)(C)C1CC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047493816 817167551 /nfs/dbraw/zinc/16/75/51/817167551.db2.gz XCBHCPNCYXDXMG-QWRGUYRKSA-N -1 0 323.397 -0.050 20 0 DBADRM O=C(C1CCOCC1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048641924 817387588 /nfs/dbraw/zinc/38/75/88/817387588.db2.gz JXBAQWXTRHZBCP-TXEJJXNPSA-N -1 0 321.381 -0.173 20 0 DBADRM O=C(c1cnns1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048703417 817406105 /nfs/dbraw/zinc/40/61/05/817406105.db2.gz VGLSUBHKYSLPCW-OCAPTIKFSA-N -1 0 321.366 -0.434 20 0 DBADRM O=C(c1cncnc1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048780534 817432244 /nfs/dbraw/zinc/43/22/44/817432244.db2.gz KTQQQEVNFBEJHZ-PHIMTYICSA-N -1 0 315.337 -0.496 20 0 DBADRM C[C@H]1C[C@H](C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)CO1 ZINC001048903865 817476596 /nfs/dbraw/zinc/47/65/96/817476596.db2.gz QMLDQTPOPBSQRM-FIQHERPVSA-N -1 0 321.381 -0.175 20 0 DBADRM O=C(c1cccnn1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001049126739 817538363 /nfs/dbraw/zinc/53/83/63/817538363.db2.gz NBKONXGQSVRUOZ-AOOOYVTPSA-N -1 0 315.337 -0.496 20 0 DBADRM O=C(Cc1ncc[nH]1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001049131463 817540566 /nfs/dbraw/zinc/54/05/66/817540566.db2.gz NXRSYWDYDALKCM-AOOOYVTPSA-N -1 0 317.353 -0.634 20 0 DBADRM CCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001049639861 817619093 /nfs/dbraw/zinc/61/90/93/817619093.db2.gz RUJRIMLSXRJYHE-IUCAKERBSA-N -1 0 311.342 -0.548 20 0 DBADRM CCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001049639860 817619322 /nfs/dbraw/zinc/61/93/22/817619322.db2.gz RUJRIMLSXRJYHE-DTWKUNHWSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(c1nc[nH]n1)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001050167601 817687720 /nfs/dbraw/zinc/68/77/20/817687720.db2.gz JHCLRCXXSJSTAD-DTWKUNHWSA-N -1 0 318.341 -0.635 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCO1 ZINC001050807710 817762559 /nfs/dbraw/zinc/76/25/59/817762559.db2.gz VPXVTNDBZFOJIZ-UWVGGRQHSA-N -1 0 311.342 -0.994 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1cocn1 ZINC001050841981 817774415 /nfs/dbraw/zinc/77/44/15/817774415.db2.gz NMZDRMYFURKWPQ-QMMMGPOBSA-N -1 0 308.298 -0.871 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)C1=CCCC1 ZINC001050874185 817782904 /nfs/dbraw/zinc/78/29/04/817782904.db2.gz HTJIVVOHDTYQAJ-LLVKDONJSA-N -1 0 307.354 -0.062 20 0 DBADRM Cc1c[nH]nc1C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001050906006 817790578 /nfs/dbraw/zinc/79/05/78/817790578.db2.gz KFXLOEZLNNSGEE-VIFPVBQESA-N -1 0 321.341 -0.827 20 0 DBADRM CCCCN1CCOC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001051010524 817822669 /nfs/dbraw/zinc/82/26/69/817822669.db2.gz VGTGBZNBHRPBPG-VIFPVBQESA-N -1 0 311.342 -0.487 20 0 DBADRM Cc1nocc1C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001051095491 817845418 /nfs/dbraw/zinc/84/54/18/817845418.db2.gz XGTSOGBTAAYKRO-VIFPVBQESA-N -1 0 322.325 -0.562 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1c1ncccn1 ZINC001051266738 817893894 /nfs/dbraw/zinc/89/38/94/817893894.db2.gz STWNYOMADXOAPQ-SFYZADRCSA-N -1 0 317.309 -0.530 20 0 DBADRM CCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001051680053 817997481 /nfs/dbraw/zinc/99/74/81/817997481.db2.gz UUGNTCATBJCAMQ-DTWKUNHWSA-N -1 0 311.342 -0.690 20 0 DBADRM C[C@H]1CN(C(=O)C2CC2)C[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001051720955 818016641 /nfs/dbraw/zinc/01/66/41/818016641.db2.gz KKPVEYLUEADXNX-WPRPVWTQSA-N -1 0 323.353 -0.690 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](NCc3nnn(C)n3)C2)c1[O-] ZINC001054569726 818140249 /nfs/dbraw/zinc/14/02/49/818140249.db2.gz GQUXQLYIQFXRTK-APPZFPTMSA-N -1 0 320.357 -0.802 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NCc3nnnn3C)[C@@H](C)C2)c1[O-] ZINC001054582115 818143215 /nfs/dbraw/zinc/14/32/15/818143215.db2.gz QZIDWHBJXGQOMH-CBAPKCEASA-N -1 0 320.357 -0.802 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NCc3nnnn3C)C2)c1[O-] ZINC001054582117 818143443 /nfs/dbraw/zinc/14/34/43/818143443.db2.gz QZIDWHBJXGQOMH-VXNVDRBHSA-N -1 0 320.357 -0.802 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@](CO)(NC(=O)C3CC3)C2)c1[O-] ZINC001055685464 818281254 /nfs/dbraw/zinc/28/12/54/818281254.db2.gz YEEYIASYPIXXJF-HNNXBMFYSA-N -1 0 322.365 -0.083 20 0 DBADRM CC(=O)N(CCO)CCNC(=O)c1n[n-]c2ccccc2c1=O ZINC001056739482 818448483 /nfs/dbraw/zinc/44/84/83/818448483.db2.gz UCMVETVKRDNXQU-UHFFFAOYSA-N -1 0 318.333 -0.094 20 0 DBADRM CN(c1ncccn1)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001056949562 818535215 /nfs/dbraw/zinc/53/52/15/818535215.db2.gz OTOXQMMPICWVAM-SECBINFHSA-N -1 0 319.325 -0.783 20 0 DBADRM CN(c1ncccn1)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001057070499 818575690 /nfs/dbraw/zinc/57/56/90/818575690.db2.gz GRBQXWJRJBCVMT-QMMMGPOBSA-N -1 0 317.309 -0.576 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)/C=C\C2CC2)c1[O-] ZINC001057354324 818697122 /nfs/dbraw/zinc/69/71/22/818697122.db2.gz UDIVPCBBWKTFNP-PLNGDYQASA-N -1 0 322.365 -0.059 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)C(C)(F)F)c1[O-] ZINC001057354163 818697394 /nfs/dbraw/zinc/69/73/94/818697394.db2.gz ONMJHOPGFXLKKP-UHFFFAOYSA-N -1 0 320.296 -0.370 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@@H](Nc2ncccn2)C1 ZINC001057777772 818795193 /nfs/dbraw/zinc/79/51/93/818795193.db2.gz MJRVQECOFIJIHL-MRVPVSSYSA-N -1 0 317.309 -0.211 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)CCCF)c1[O-] ZINC001058393845 818940222 /nfs/dbraw/zinc/94/02/22/818940222.db2.gz NUBLTOAPMNMOKA-UHFFFAOYSA-N -1 0 316.333 -0.276 20 0 DBADRM Cc1ccnc(N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001058412933 818945529 /nfs/dbraw/zinc/94/55/29/818945529.db2.gz GWDXSFQKTVLWCZ-SECBINFHSA-N -1 0 319.325 -0.817 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(c2cccc(F)n2)C1 ZINC001058413122 818945775 /nfs/dbraw/zinc/94/57/75/818945775.db2.gz LRYLBMTVWJSRFG-QMMMGPOBSA-N -1 0 322.300 -0.382 20 0 DBADRM Cc1ccc(N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1 ZINC001058603555 819005422 /nfs/dbraw/zinc/00/54/22/819005422.db2.gz AXTFEORRAMLZBU-MRVPVSSYSA-N -1 0 317.309 -0.610 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)ncn1 ZINC001058604439 819005914 /nfs/dbraw/zinc/00/59/14/819005914.db2.gz YOSWDWBMCGVZOC-MRVPVSSYSA-N -1 0 317.309 -0.610 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](Nc2cnc(F)cn2)C1 ZINC001058936628 819081442 /nfs/dbraw/zinc/08/14/42/819081442.db2.gz SNCNTGIIBFPXAR-ZETCQYMHSA-N -1 0 323.288 -0.669 20 0 DBADRM CC(=O)N1CC[C@@H](CCNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001058978470 819093612 /nfs/dbraw/zinc/09/36/12/819093612.db2.gz FTXDJDYUBNCQFW-SNVBAGLBSA-N -1 0 308.338 -0.526 20 0 DBADRM O=C(NCC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC001060002141 819190440 /nfs/dbraw/zinc/19/04/40/819190440.db2.gz ODXLJRBLWQCAIE-MRVPVSSYSA-N -1 0 321.337 -0.339 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1(CNC(=O)C2CCC2)CCC1 ZINC001062380785 819475480 /nfs/dbraw/zinc/47/54/80/819475480.db2.gz HEWBUGUYVGJLLC-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM CC(C)=CC(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001062448848 819486589 /nfs/dbraw/zinc/48/65/89/819486589.db2.gz SHNGCWACHBUZKX-UHFFFAOYSA-N -1 0 323.353 -0.189 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@@H]2C[C@H]1CN2c1ncccn1 ZINC001062613302 819512798 /nfs/dbraw/zinc/51/27/98/819512798.db2.gz HPLVJAJVXAMSEA-YUMQZZPRSA-N -1 0 315.293 -0.824 20 0 DBADRM CC(=O)NC1(CNC(=O)c2c[n-]n3c2nccc3=O)CCC1 ZINC001063090191 819580199 /nfs/dbraw/zinc/58/01/99/819580199.db2.gz YHXCSTBFZQINAP-UHFFFAOYSA-N -1 0 303.322 -0.189 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3cn[nH]n3)CCC2)c1[O-] ZINC001063582521 819615444 /nfs/dbraw/zinc/61/54/44/819615444.db2.gz UOMKFHGUTBCPJK-UHFFFAOYSA-N -1 0 319.325 -0.376 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(c3ncccn3)CCO2)c1[O-] ZINC001063623107 819623778 /nfs/dbraw/zinc/62/37/78/819623778.db2.gz PTKFYKXHTBBQTK-JTQLQIEISA-N -1 0 318.337 -0.151 20 0 DBADRM CCCC(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001063866069 819641495 /nfs/dbraw/zinc/64/14/95/819641495.db2.gz UWDYWOWPBNNXGJ-UHFFFAOYSA-N -1 0 311.342 -0.356 20 0 DBADRM CC(=O)N(C)CCCN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001066571619 820018938 /nfs/dbraw/zinc/01/89/38/820018938.db2.gz OQGMAMJJIPNWDW-UHFFFAOYSA-N -1 0 313.358 -0.204 20 0 DBADRM C[C@H]1[C@H](Nc2ncccn2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001068873072 820261922 /nfs/dbraw/zinc/26/19/22/820261922.db2.gz WQDFIJAMSCAAQP-DTWKUNHWSA-N -1 0 319.325 -0.419 20 0 DBADRM C[C@H]1C[C@@H](Nc2ncccn2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001069228533 820290523 /nfs/dbraw/zinc/29/05/23/820290523.db2.gz LARJUORNOPPWFJ-JGVFFNPUSA-N -1 0 317.309 -0.212 20 0 DBADRM CCCC(=O)N1CCC(=O)NCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001070931284 820566144 /nfs/dbraw/zinc/56/61/44/820566144.db2.gz OCLASKZEKQDEGW-UHFFFAOYSA-N -1 0 324.385 -0.539 20 0 DBADRM CCC(=O)N1C[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC001071433482 820683429 /nfs/dbraw/zinc/68/34/29/820683429.db2.gz RUNXXIXNIPYKAP-WPRPVWTQSA-N -1 0 323.353 -0.412 20 0 DBADRM CC(=O)NCC(=O)N1C[C@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001071496512 820700211 /nfs/dbraw/zinc/70/02/11/820700211.db2.gz UQTMYPPZGUJLDQ-OIBJUYFYSA-N -1 0 323.353 -0.863 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)c2cn[nH]n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071634535 820738608 /nfs/dbraw/zinc/73/86/08/820738608.db2.gz FEKDNEABMBENKL-HTQZYQBOSA-N -1 0 306.330 -0.589 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)Cc2ncc[nH]2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071938389 820814159 /nfs/dbraw/zinc/81/41/59/820814159.db2.gz NESNKJGCOIBOEZ-VHSXEESVSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)Cn2cncn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001072052971 820854728 /nfs/dbraw/zinc/85/47/28/820854728.db2.gz QOCAFKPHGSGXFY-NXEZZACHSA-N -1 0 320.357 -0.729 20 0 DBADRM CC(C)CC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001072452247 820923579 /nfs/dbraw/zinc/92/35/79/820923579.db2.gz AHTHTORIAJSHQJ-DTWKUNHWSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C([C@@H]1CCOC1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072529836 820944130 /nfs/dbraw/zinc/94/41/30/820944130.db2.gz CCCQYENPGAJBCE-SNVBAGLBSA-N -1 0 307.354 -0.419 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1ccc[nH]1 ZINC001073532454 821148829 /nfs/dbraw/zinc/14/88/29/821148829.db2.gz SMDLSASOENBGDD-JTQLQIEISA-N -1 0 320.353 -0.141 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1cocn1 ZINC001073556781 821162845 /nfs/dbraw/zinc/16/28/45/821162845.db2.gz OPLFFWDCMHEYHZ-VIFPVBQESA-N -1 0 322.325 -0.481 20 0 DBADRM O=C(NC[C@H]1CN(CCF)CCCO1)c1n[nH]c(=O)[n-]c1=O ZINC001073679770 821206794 /nfs/dbraw/zinc/20/67/94/821206794.db2.gz SOAIDOAPSNBOOQ-QMMMGPOBSA-N -1 0 315.305 -0.927 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001073736197 821225822 /nfs/dbraw/zinc/22/58/22/821225822.db2.gz LRJKRAJUQRUILS-DCAQKATOSA-N -1 0 309.370 -0.127 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCCN1C(=O)c1nc[nH]n1 ZINC001074081696 821284977 /nfs/dbraw/zinc/28/49/77/821284977.db2.gz KJICLYUERFMUGJ-SECBINFHSA-N -1 0 320.357 -0.245 20 0 DBADRM COCCN1CCO[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21 ZINC001074218773 821310318 /nfs/dbraw/zinc/31/03/18/821310318.db2.gz DXCXXEYOSVJKPI-RYUDHWBXSA-N -1 0 324.381 -0.015 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]3OCCN(CCCO)[C@@H]3C2)c1[O-] ZINC001074219551 821311409 /nfs/dbraw/zinc/31/14/09/821311409.db2.gz QZXPZTXILRPTHM-NEPJUHHUSA-N -1 0 324.381 -0.279 20 0 DBADRM CCN1CCO[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001074286710 821327528 /nfs/dbraw/zinc/32/75/28/821327528.db2.gz QFBJBWKTMDHLFQ-RKDXNWHRSA-N -1 0 309.326 -0.782 20 0 DBADRM CCN1CCO[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC001074313209 821331329 /nfs/dbraw/zinc/33/13/29/821331329.db2.gz YKJAMRASGMXXCY-VXGBXAGGSA-N -1 0 322.365 -0.579 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001075059031 821482315 /nfs/dbraw/zinc/48/23/15/821482315.db2.gz YHRFMQNSYTVKOH-PSASIEDQSA-N -1 0 323.353 -0.269 20 0 DBADRM O=C(c1cnns1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075585091 821552337 /nfs/dbraw/zinc/55/23/37/821552337.db2.gz PRZBVOIBPASFTA-JGVFFNPUSA-N -1 0 321.366 -0.292 20 0 DBADRM O=C([C@H]1CCOC1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075601872 821554575 /nfs/dbraw/zinc/55/45/75/821554575.db2.gz ZBLLBDMRICISHH-GARJFASQSA-N -1 0 307.354 -0.421 20 0 DBADRM O=C(c1cocn1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075614889 821558477 /nfs/dbraw/zinc/55/84/77/821558477.db2.gz NBXWNNPAQJTFNU-WCBMZHEXSA-N -1 0 304.310 -0.155 20 0 DBADRM CNC(=O)CN1C[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001075692013 821571858 /nfs/dbraw/zinc/57/18/58/821571858.db2.gz GHZDWKWLRPUXEN-VHSXEESVSA-N -1 0 307.354 -0.684 20 0 DBADRM CO[C@H](C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1CC1 ZINC001075745253 821588260 /nfs/dbraw/zinc/58/82/60/821588260.db2.gz AVRAXUZFTOKTRC-LOWVWBTDSA-N -1 0 321.381 -0.032 20 0 DBADRM C[C@@H](CCNC(=O)c1ccon1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001075767546 821596352 /nfs/dbraw/zinc/59/63/52/821596352.db2.gz AYOGPXMQQJBKLZ-ZETCQYMHSA-N -1 0 324.297 -0.998 20 0 DBADRM C[C@@H](CCNC(=O)c1cocn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001075924717 821625946 /nfs/dbraw/zinc/62/59/46/821625946.db2.gz DODUHVDLVGOWLQ-LURJTMIESA-N -1 0 322.281 -0.791 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H](C)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001076062660 821660241 /nfs/dbraw/zinc/66/02/41/821660241.db2.gz LZEKYYAOQTUPKH-YUMQZZPRSA-N -1 0 323.353 -0.047 20 0 DBADRM Cn1ccc(C(=O)N2CC[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)n1 ZINC001076570154 821773386 /nfs/dbraw/zinc/77/33/86/821773386.db2.gz BDAJQUBOBNYKJU-GXSJLCMTSA-N -1 0 317.353 -0.410 20 0 DBADRM CCc1ocnc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076827836 821880916 /nfs/dbraw/zinc/88/09/16/821880916.db2.gz BKLIREBLEHXVTC-HTQZYQBOSA-N -1 0 322.325 -0.964 20 0 DBADRM Cc1nc(C)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)o1 ZINC001076836108 821886292 /nfs/dbraw/zinc/88/62/92/821886292.db2.gz YRSXFTOVYYOFKY-RKDXNWHRSA-N -1 0 322.325 -0.910 20 0 DBADRM CC1(C)C(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)C1(C)C ZINC001076851242 821889816 /nfs/dbraw/zinc/88/98/16/821889816.db2.gz ISBBOGUGKGNRPT-RKDXNWHRSA-N -1 0 323.397 -0.146 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)oc1C ZINC001076888939 821907506 /nfs/dbraw/zinc/90/75/06/821907506.db2.gz NOKURUWHXTWXNO-NXEZZACHSA-N -1 0 321.337 -0.305 20 0 DBADRM CCC(=O)N[C@@H](C)CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001077117936 821996273 /nfs/dbraw/zinc/99/62/73/821996273.db2.gz VUWKSJHRWDMXGC-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM CC1(C)CC(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)C1 ZINC001077560037 822151381 /nfs/dbraw/zinc/15/13/81/822151381.db2.gz PGMJMUDCLHNUIK-GHMZBOCLSA-N -1 0 323.397 -0.002 20 0 DBADRM Cc1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cs1 ZINC001077564270 822152005 /nfs/dbraw/zinc/15/20/05/822152005.db2.gz GOSOQZKWKFWXCR-VXNVDRBHSA-N -1 0 324.366 -0.750 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)c1ccoc1 ZINC001077577052 822159054 /nfs/dbraw/zinc/15/90/54/822159054.db2.gz OVAXIYIAJKRRMW-ZETCQYMHSA-N -1 0 321.293 -0.186 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC1(C)C ZINC001077578019 822159145 /nfs/dbraw/zinc/15/91/45/822159145.db2.gz ISRYUHKTIXKHMJ-YUMQZZPRSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(F)F ZINC001077577017 822159397 /nfs/dbraw/zinc/15/93/97/822159397.db2.gz MYMSLJRLDQPBLE-YFKPBYRVSA-N -1 0 319.268 -0.437 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077578003 822159437 /nfs/dbraw/zinc/15/94/37/822159437.db2.gz IDSBNNCTHOQBCM-IPWDFOCMSA-N -1 0 309.326 -0.126 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)/C=C/C1CC1 ZINC001077680041 822187321 /nfs/dbraw/zinc/18/73/21/822187321.db2.gz ODIUUWUQWXZLFH-MOVJSRMASA-N -1 0 323.353 -0.334 20 0 DBADRM C[C@@H](CCNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001077709307 822198501 /nfs/dbraw/zinc/19/85/01/822198501.db2.gz JLYJUKRUEQASPC-KXUCPTDWSA-N -1 0 322.365 -0.234 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077746322 822213104 /nfs/dbraw/zinc/21/31/04/822213104.db2.gz RBJJDVJEWPLKAO-HRDYMLBCSA-N -1 0 311.342 -0.644 20 0 DBADRM O=C(N[C@@H]1CN(CCO)C[C@H]1O)c1n[n-]c2ccccc2c1=O ZINC001077766402 822220186 /nfs/dbraw/zinc/22/01/86/822220186.db2.gz DWHCXCYENHXBFE-VXGBXAGGSA-N -1 0 318.333 -0.897 20 0 DBADRM CCc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)no1 ZINC001078031088 822326274 /nfs/dbraw/zinc/32/62/74/822326274.db2.gz BIGHDJUKRXUQGZ-NXEZZACHSA-N -1 0 322.325 -0.964 20 0 DBADRM C[C@H]1CC[C@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CC1 ZINC001078041564 822331825 /nfs/dbraw/zinc/33/18/25/822331825.db2.gz QTQDZQGWZYSBBP-DDHJBXDOSA-N -1 0 323.397 -0.002 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001112875529 828428064 /nfs/dbraw/zinc/42/80/64/828428064.db2.gz WQHHUSXREDVRPU-SECBINFHSA-N -1 0 310.358 -0.931 20 0 DBADRM CC(C)C(=O)N(C)CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001112909927 828433102 /nfs/dbraw/zinc/43/31/02/828433102.db2.gz AKHIINCYCDGWQB-UHFFFAOYSA-N -1 0 324.385 -0.731 20 0 DBADRM Cc1ccc(N[C@H](C)[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001113110054 828458895 /nfs/dbraw/zinc/45/88/95/828458895.db2.gz MBYIYCBGQWBNQV-RKDXNWHRSA-N -1 0 321.341 -0.207 20 0 DBADRM Cc1ccc(N[C@@H](C)[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001113110052 828458973 /nfs/dbraw/zinc/45/89/73/828458973.db2.gz MBYIYCBGQWBNQV-DTWKUNHWSA-N -1 0 321.341 -0.207 20 0 DBADRM Cc1ccnc(N[C@H](C)[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001113110156 828459259 /nfs/dbraw/zinc/45/92/59/828459259.db2.gz NPSVOIFPTZYICW-DTWKUNHWSA-N -1 0 321.341 -0.207 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113423925 828495955 /nfs/dbraw/zinc/49/59/55/828495955.db2.gz ZDNQAERRKUWZKB-UHFFFAOYSA-N -1 0 324.385 -0.683 20 0 DBADRM O=C(CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)NCC1CC1 ZINC001113516241 828509249 /nfs/dbraw/zinc/50/92/49/828509249.db2.gz MHQZGVDSQSWHAN-UHFFFAOYSA-N -1 0 322.369 -0.929 20 0 DBADRM CN(C)C(=O)CCCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113552494 828515806 /nfs/dbraw/zinc/51/58/06/828515806.db2.gz IOQSXVWZQSCTHG-UHFFFAOYSA-N -1 0 324.385 -0.587 20 0 DBADRM O=C(CCCn1ccnc1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113723546 828543558 /nfs/dbraw/zinc/54/35/58/828543558.db2.gz ZMMJMSSCBPUFOR-UHFFFAOYSA-N -1 0 319.369 -0.169 20 0 DBADRM C[C@@H](CCNC(=O)C(C)(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001078316168 823766415 /nfs/dbraw/zinc/76/64/15/823766415.db2.gz AKNQFPNEROTJJH-QMMMGPOBSA-N -1 0 313.358 -0.254 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H]1CC12CC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001078724255 823824522 /nfs/dbraw/zinc/82/45/22/823824522.db2.gz WGKIFEXREOLKHO-YUMQZZPRSA-N -1 0 321.337 -0.293 20 0 DBADRM CCC(=O)N(CC)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001079176136 823848003 /nfs/dbraw/zinc/84/80/03/823848003.db2.gz MXDXUORYWCAXAR-UHFFFAOYSA-N -1 0 308.338 -0.431 20 0 DBADRM CCN(C(=O)CC1CC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001079192833 823849886 /nfs/dbraw/zinc/84/98/86/823849886.db2.gz CKHZFTVAKGGFGQ-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM CCN(C(=O)C(C)C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001079322303 823867706 /nfs/dbraw/zinc/86/77/06/823867706.db2.gz MGEMCHUKLLOZBW-UHFFFAOYSA-N -1 0 309.326 -0.388 20 0 DBADRM Cc1nnsc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001079411613 823883799 /nfs/dbraw/zinc/88/37/99/823883799.db2.gz BZUNKMPVEYWVQL-HTRCEHHLSA-N -1 0 323.382 -0.079 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1CCCOC1 ZINC001079481683 823894994 /nfs/dbraw/zinc/89/49/94/823894994.db2.gz RJOAIERTIQFXDS-GMTAPVOTSA-N -1 0 309.370 -0.127 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@H]2C)c1[O-] ZINC001079579434 823917335 /nfs/dbraw/zinc/91/73/35/823917335.db2.gz IODLUNNMADUBPR-VXNVDRBHSA-N -1 0 320.357 -0.802 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@H]2C)c1[O-] ZINC001079579565 823917759 /nfs/dbraw/zinc/91/77/59/823917759.db2.gz OHBWYVXYSFREFZ-QNSHHTMESA-N -1 0 307.354 -0.638 20 0 DBADRM CC[C@H](C(N)=O)N1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001079573848 823918056 /nfs/dbraw/zinc/91/80/56/823918056.db2.gz PXASQYPKYWLBQC-SZEHBUNVSA-N -1 0 309.370 -0.262 20 0 DBADRM CCOCCCC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001113926769 828587031 /nfs/dbraw/zinc/58/70/31/828587031.db2.gz GYUJQECXESINFH-IWIIMEHWSA-N -1 0 309.370 -0.127 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001079682859 823945594 /nfs/dbraw/zinc/94/55/94/823945594.db2.gz YOUYAPOJKLMWIU-PSASIEDQSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnc[nH]c1=O ZINC001079929151 823984397 /nfs/dbraw/zinc/98/43/97/823984397.db2.gz OWRCGYMNUFEYDS-VXNVDRBHSA-N -1 0 319.325 -0.744 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)CC2CC2)C1 ZINC001080199563 824011902 /nfs/dbraw/zinc/01/19/02/824011902.db2.gz GSENTROMKCBDHH-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)[C@H]2C[C@H]2C)C1 ZINC001080201248 824012440 /nfs/dbraw/zinc/01/24/40/824012440.db2.gz WYPIWCYTRFWFBM-SCZZXKLOSA-N -1 0 323.353 -0.595 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(F)F)C2)c1[O-] ZINC001081149621 824137147 /nfs/dbraw/zinc/13/71/47/824137147.db2.gz KVBVYXOBOUHYPF-NKWVEPMBSA-N -1 0 318.280 -0.762 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC3CC3)C2)c1[O-] ZINC001081163206 824144660 /nfs/dbraw/zinc/14/46/60/824144660.db2.gz GADSRYGBLGNHPG-WDEREUQCSA-N -1 0 322.365 -0.227 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cc(C)no1 ZINC001081355580 824219424 /nfs/dbraw/zinc/21/94/24/824219424.db2.gz FMHODIATBLRPNG-PSASIEDQSA-N -1 0 322.325 -0.564 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccc[nH]1 ZINC001081359066 824219994 /nfs/dbraw/zinc/21/99/94/824219994.db2.gz KYMCLKXHBKZWTN-NXEZZACHSA-N -1 0 306.326 -0.532 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1ccco1 ZINC001082259507 824414343 /nfs/dbraw/zinc/41/43/43/824414343.db2.gz OBZVNAZYNWGWBE-GHMZBOCLSA-N -1 0 321.337 -0.339 20 0 DBADRM CO[C@H](C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1CC1 ZINC001114208987 828655431 /nfs/dbraw/zinc/65/54/31/828655431.db2.gz JDGZEDVKIDMEOK-SPFNVWMYSA-N -1 0 307.354 -0.518 20 0 DBADRM COCCN1C[C@H]2OCCN(C(=O)c3n[nH]c(C)c3[O-])[C@H]2C1 ZINC001083052278 824487607 /nfs/dbraw/zinc/48/76/07/824487607.db2.gz IKZRTIAMVPJLDS-WDEREUQCSA-N -1 0 310.354 -0.405 20 0 DBADRM O=C(c1cc[nH]c1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083090597 824494225 /nfs/dbraw/zinc/49/42/25/824494225.db2.gz GSMFJUZLXYNMSL-WDEREUQCSA-N -1 0 318.337 -0.436 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083163916 824509551 /nfs/dbraw/zinc/50/95/51/824509551.db2.gz CNOILFNDAWLZAT-CHWFTXMASA-N -1 0 307.354 -0.422 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cccc(F)c1 ZINC001083315369 824539064 /nfs/dbraw/zinc/53/90/64/824539064.db2.gz BERPWIBNICNOJB-MNOVXSKESA-N -1 0 321.312 -0.376 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c(C)o1 ZINC001083335311 824551659 /nfs/dbraw/zinc/55/16/59/824551659.db2.gz IKKRJWYONFJKCJ-MNOVXSKESA-N -1 0 321.337 -0.305 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccccc1O ZINC001083346964 824559322 /nfs/dbraw/zinc/55/93/22/824559322.db2.gz HVSYVGNBMDTRNR-KOLCDFICSA-N -1 0 319.321 -0.809 20 0 DBADRM CC1(C)C(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C1(C)C ZINC001083390819 824595771 /nfs/dbraw/zinc/59/57/71/824595771.db2.gz ISBBOGUGKGNRPT-BDAKNGLRSA-N -1 0 323.397 -0.146 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccns3)C[C@@H]2O)c1[O-] ZINC001083410017 824605819 /nfs/dbraw/zinc/60/58/19/824605819.db2.gz QOSIFGCMTQEOEM-ZJUUUORDSA-N -1 0 323.378 -0.145 20 0 DBADRM C[C@]1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CC=CCC1 ZINC001083488477 824645831 /nfs/dbraw/zinc/64/58/31/824645831.db2.gz LBMNNEBZSSWZQR-ZETOZRRWSA-N -1 0 321.381 -0.082 20 0 DBADRM CCc1nocc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083757471 824762430 /nfs/dbraw/zinc/76/24/30/824762430.db2.gz KVUKXYYAEJNBLE-ZJUUUORDSA-N -1 0 322.325 -0.964 20 0 DBADRM O=C(Cc1ccco1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083879005 824806304 /nfs/dbraw/zinc/80/63/04/824806304.db2.gz RRECXARUQDCAED-ZJUUUORDSA-N -1 0 307.310 -0.993 20 0 DBADRM C[C@H]1CC[C@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CC1 ZINC001083973618 824847023 /nfs/dbraw/zinc/84/70/23/824847023.db2.gz QTQDZQGWZYSBBP-KKOKHZNYSA-N -1 0 323.397 -0.002 20 0 DBADRM CCOCC1(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CC1 ZINC001114490822 828700949 /nfs/dbraw/zinc/70/09/49/828700949.db2.gz KABKFDNMTRONLY-IAZYJMLFSA-N -1 0 321.381 -0.127 20 0 DBADRM CC[C@@H](OC)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084222116 824909356 /nfs/dbraw/zinc/90/93/56/824909356.db2.gz BVSCAWBDBMBXSC-GMTAPVOTSA-N -1 0 309.370 -0.032 20 0 DBADRM O=C(c1cocn1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084230626 824910774 /nfs/dbraw/zinc/91/07/74/824910774.db2.gz AWNRTAPIFUOKBG-PSASIEDQSA-N -1 0 304.310 -0.155 20 0 DBADRM Cn1nccc1C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084226053 824911435 /nfs/dbraw/zinc/91/14/35/824911435.db2.gz GUEVZRGONXKXDW-MWLCHTKSSA-N -1 0 317.353 -0.410 20 0 DBADRM Cn1cnc(C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)c1 ZINC001084279465 824916979 /nfs/dbraw/zinc/91/69/79/824916979.db2.gz FPYTVBGWPSSAQG-MWLCHTKSSA-N -1 0 317.353 -0.410 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCN([C@H]4CCNC4=O)C[C@H]32)c1[O-] ZINC001084284934 824919747 /nfs/dbraw/zinc/91/97/47/824919747.db2.gz SONOCUQHKGGTDY-OUAUKWLOSA-N -1 0 319.365 -0.541 20 0 DBADRM COCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114568109 828712185 /nfs/dbraw/zinc/71/21/85/828712185.db2.gz JDBZSZQEOJLWNE-JZYVYDRUSA-N -1 0 309.370 -0.271 20 0 DBADRM Cc1c[nH]c(C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)n1 ZINC001084711995 824966065 /nfs/dbraw/zinc/96/60/65/824966065.db2.gz LTEFVQNELZLEKH-NXEZZACHSA-N -1 0 317.353 -0.112 20 0 DBADRM Cc1nc[nH]c1C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084872191 824989194 /nfs/dbraw/zinc/98/91/94/824989194.db2.gz ZNKJMJGSMUXSOQ-NXEZZACHSA-N -1 0 317.353 -0.112 20 0 DBADRM Cc1c(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001085488555 825024041 /nfs/dbraw/zinc/02/40/41/825024041.db2.gz BMRDSDPTVQANIC-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1ncncc1C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085499368 825027283 /nfs/dbraw/zinc/02/72/83/825027283.db2.gz BLIRSOBGQSLPSX-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM Cc1c(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)nnn1C ZINC001085531212 825037071 /nfs/dbraw/zinc/03/70/71/825037071.db2.gz ODPKFATVQOOWDM-SECBINFHSA-N -1 0 320.357 -0.706 20 0 DBADRM CC[C@@H](C(N)=O)N1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001085544663 825040144 /nfs/dbraw/zinc/04/01/44/825040144.db2.gz VBOISUYKQHOQLU-UWVGGRQHSA-N -1 0 309.370 -0.166 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2CC(=O)N(C)C)c1[O-] ZINC001085549780 825041367 /nfs/dbraw/zinc/04/13/67/825041367.db2.gz DHVIBMLNWDRKNM-JTQLQIEISA-N -1 0 309.370 -0.342 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2[C@H]2CCNC2=O)c1[O-] ZINC001085549857 825042253 /nfs/dbraw/zinc/04/22/53/825042253.db2.gz FPZPVTIEFCHHHT-UWVGGRQHSA-N -1 0 307.354 -0.541 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2Cc2ncnn2C)c1[O-] ZINC001085550439 825042286 /nfs/dbraw/zinc/04/22/86/825042286.db2.gz UMBRSGYEQLTQMH-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cncnc1 ZINC001085560526 825044329 /nfs/dbraw/zinc/04/43/29/825044329.db2.gz OYVZBQJUMLDKKQ-JTQLQIEISA-N -1 0 303.326 -0.353 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cncnc1 ZINC001085560527 825044485 /nfs/dbraw/zinc/04/44/85/825044485.db2.gz OYVZBQJUMLDKKQ-SNVBAGLBSA-N -1 0 303.326 -0.353 20 0 DBADRM Cc1cn(C)nc1C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085591820 825059377 /nfs/dbraw/zinc/05/93/77/825059377.db2.gz UAVMZMSMYKKPMI-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCCNC1=O ZINC001085653766 825072503 /nfs/dbraw/zinc/07/25/03/825072503.db2.gz YUHUYNBSNNEWKL-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cnc[nH]c1=O ZINC001085662646 825078825 /nfs/dbraw/zinc/07/88/25/825078825.db2.gz IOQMMLIEKZNYJB-MRVPVSSYSA-N -1 0 319.325 -0.648 20 0 DBADRM COc1nc(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)co1 ZINC001085745719 825097151 /nfs/dbraw/zinc/09/71/51/825097151.db2.gz OBSJGEZESNLJSH-QMMMGPOBSA-N -1 0 322.325 -0.147 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085825564 825120421 /nfs/dbraw/zinc/12/04/21/825120421.db2.gz PBBDJAFDESYXTA-FOGDFJRCSA-N -1 0 309.370 -0.032 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ncccn1 ZINC001085884868 825131493 /nfs/dbraw/zinc/13/14/93/825131493.db2.gz MVNBTANQRCTEEM-SECBINFHSA-N -1 0 303.326 -0.353 20 0 DBADRM Cc1nccc(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001085978524 825150212 /nfs/dbraw/zinc/15/02/12/825150212.db2.gz VAGXXFUJQIUTQD-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM Cc1nccc(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001085978525 825150628 /nfs/dbraw/zinc/15/06/28/825150628.db2.gz VAGXXFUJQIUTQD-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087521602 825340851 /nfs/dbraw/zinc/34/08/51/825340851.db2.gz NFUVBJWTVDFDST-IVZWLZJFSA-N -1 0 322.369 -0.742 20 0 DBADRM O=C(CCn1cccc1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001115020226 828777529 /nfs/dbraw/zinc/77/75/29/828777529.db2.gz FYKHMYIUBALHBD-YABSGUDNSA-N -1 0 316.365 -0.052 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cnccn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088451629 825423118 /nfs/dbraw/zinc/42/31/18/825423118.db2.gz UPHYVMKAPLZOFZ-BDAKNGLRSA-N -1 0 303.326 -0.307 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3nnnn3C)[C@@H]2C)c1[O-] ZINC001088525852 825433236 /nfs/dbraw/zinc/43/32/36/825433236.db2.gz PYFVXDRBLVDQMH-BDAKNGLRSA-N -1 0 320.357 -0.660 20 0 DBADRM CCn1ncc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)n1 ZINC001088555713 825439065 /nfs/dbraw/zinc/43/90/65/825439065.db2.gz SQXFWHKPKAHMET-BDAKNGLRSA-N -1 0 320.357 -0.486 20 0 DBADRM Cc1nccn1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001089041089 825488160 /nfs/dbraw/zinc/48/81/60/825488160.db2.gz BWWRMAFLMWNFAJ-KOLCDFICSA-N -1 0 319.369 -0.206 20 0 DBADRM CC(=O)N[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O ZINC001089975079 825534875 /nfs/dbraw/zinc/53/48/75/825534875.db2.gz DKONZWNTVZWZBP-RYUDHWBXSA-N -1 0 305.338 -0.906 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccccn1 ZINC001090013762 825546307 /nfs/dbraw/zinc/54/63/07/825546307.db2.gz OUDNWHFORBQDOO-KOLCDFICSA-N -1 0 318.337 -0.730 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccncc1 ZINC001090018169 825547487 /nfs/dbraw/zinc/54/74/87/825547487.db2.gz ZBIMXBSFPHYVFR-QWRGUYRKSA-N -1 0 318.337 -0.730 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccncc1 ZINC001090018165 825547734 /nfs/dbraw/zinc/54/77/34/825547734.db2.gz ZBIMXBSFPHYVFR-GHMZBOCLSA-N -1 0 318.337 -0.730 20 0 DBADRM Cc1occc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090055849 825554434 /nfs/dbraw/zinc/55/44/34/825554434.db2.gz ZNCSXWKTHYQAAE-QWRGUYRKSA-N -1 0 321.337 -0.223 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccoc1 ZINC001090074711 825559224 /nfs/dbraw/zinc/55/92/24/825559224.db2.gz VVLXJTURWHZEAD-NXEZZACHSA-N -1 0 307.310 -0.532 20 0 DBADRM Cc1ccoc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090083654 825561478 /nfs/dbraw/zinc/56/14/78/825561478.db2.gz OASIYSPNPNPLNO-UWVGGRQHSA-N -1 0 321.337 -0.223 20 0 DBADRM Cc1ocnc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090117997 825575167 /nfs/dbraw/zinc/57/51/67/825575167.db2.gz FDMUWGLOGGLZPC-RKDXNWHRSA-N -1 0 322.325 -0.828 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3cnon3)C[C@@H]2O)c1[O-] ZINC001090202218 825595324 /nfs/dbraw/zinc/59/53/24/825595324.db2.gz WSMUSHXUVZWSQA-ZJUUUORDSA-N -1 0 322.325 -0.828 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3cnon3)C[C@H]2O)c1[O-] ZINC001090202217 825595500 /nfs/dbraw/zinc/59/55/00/825595500.db2.gz WSMUSHXUVZWSQA-VHSXEESVSA-N -1 0 322.325 -0.828 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)co1 ZINC001090225867 825601588 /nfs/dbraw/zinc/60/15/88/825601588.db2.gz QOJNPAYZEZPRJI-MNOVXSKESA-N -1 0 321.337 -0.223 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc[nH]c1 ZINC001090290133 825622708 /nfs/dbraw/zinc/62/27/08/825622708.db2.gz QVOUFZVSBAVSJJ-UWVGGRQHSA-N -1 0 306.326 -0.796 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccns1 ZINC001090302998 825628726 /nfs/dbraw/zinc/62/87/26/825628726.db2.gz HQTMZAADZGEULI-YUMQZZPRSA-N -1 0 324.366 -0.668 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc(F)c[nH]1 ZINC001090439936 825697686 /nfs/dbraw/zinc/69/76/86/825697686.db2.gz YPKWYYLOHXHIPC-WPRPVWTQSA-N -1 0 324.316 -0.657 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001090515549 825729666 /nfs/dbraw/zinc/72/96/66/825729666.db2.gz UTOPPRHGYMIFOQ-YBXAARCKSA-N -1 0 321.381 -0.392 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001090515548 825730283 /nfs/dbraw/zinc/73/02/83/825730283.db2.gz UTOPPRHGYMIFOQ-MTVMDMGHSA-N -1 0 321.381 -0.392 20 0 DBADRM COCC[C@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001115262640 828819497 /nfs/dbraw/zinc/81/94/97/828819497.db2.gz FEIZUSNPZBISIO-UXCLJVHYSA-N -1 0 309.370 -0.271 20 0 DBADRM O=C(N[C@@H]1CCN(CCF)C[C@H]1O)c1c[n-]n2c1nccc2=O ZINC001090631900 825770145 /nfs/dbraw/zinc/77/01/45/825770145.db2.gz XUXAQCGJJGVYRN-GHMZBOCLSA-N -1 0 323.328 -0.843 20 0 DBADRM O=C(Cc1ccc[nH]1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090823425 825859617 /nfs/dbraw/zinc/85/96/17/825859617.db2.gz JPVJLSUCMGQWQU-GHMZBOCLSA-N -1 0 320.353 -0.868 20 0 DBADRM O=C(NCC1CC(NCc2ccon2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001091122167 825921882 /nfs/dbraw/zinc/92/18/82/825921882.db2.gz CHTGCGKSICLSMA-UHFFFAOYSA-N -1 0 320.309 -0.431 20 0 DBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)[C@@H]1CCOC1)C2 ZINC001091528401 825967277 /nfs/dbraw/zinc/96/72/77/825967277.db2.gz FSMUUYUVCJLGDE-HFAKWTLXSA-N -1 0 321.381 -0.173 20 0 DBADRM CC(C)(O)CC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001091629760 825972110 /nfs/dbraw/zinc/97/21/10/825972110.db2.gz IZHOBTJFPYLNNA-BMIGLBTASA-N -1 0 323.397 -0.048 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001091643267 825973754 /nfs/dbraw/zinc/97/37/54/825973754.db2.gz NVSLURGLSLCLFZ-HCKVZZMMSA-N -1 0 323.397 -0.193 20 0 DBADRM CC(=O)N[C@H]1CC2(CN(Cc3n[nH]c(=O)[n-]3)C2)n2ccnc21 ZINC001092340011 826026837 /nfs/dbraw/zinc/02/68/37/826026837.db2.gz OWGKBTLKNKHYJH-VIFPVBQESA-N -1 0 303.326 -0.501 20 0 DBADRM CCn1nccc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001273974047 832995905 /nfs/dbraw/zinc/99/59/05/832995905.db2.gz LRQATWSJYSEBHC-ARJAWSKDSA-N -1 0 305.342 -0.198 20 0 DBADRM Cc1nc(C)c(C)c(NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001093777934 826167855 /nfs/dbraw/zinc/16/78/55/826167855.db2.gz XWYOFBHCSYCNJI-UHFFFAOYSA-N -1 0 321.341 -0.367 20 0 DBADRM Cc1cc(NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)nc(C)n1 ZINC001093777526 826167954 /nfs/dbraw/zinc/16/79/54/826167954.db2.gz GRDNXPFYMWSTNZ-UHFFFAOYSA-N -1 0 307.314 -0.676 20 0 DBADRM Cc1cc(C)nc(NCCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001094032832 826189918 /nfs/dbraw/zinc/18/99/18/826189918.db2.gz XAFKKMYMXXQZCP-UHFFFAOYSA-N -1 0 318.337 -0.265 20 0 DBADRM O=C(NCCNc1cnc(F)cn1)c1c[n-]n2c1nccc2=O ZINC001094160549 826200840 /nfs/dbraw/zinc/20/08/40/826200840.db2.gz UMXDSPXGIRVKII-UHFFFAOYSA-N -1 0 317.284 -0.206 20 0 DBADRM Cc1cc(NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)nc(C)n1 ZINC001094253350 826211043 /nfs/dbraw/zinc/21/10/43/826211043.db2.gz MHQADPKYVOKQJO-UHFFFAOYSA-N -1 0 305.298 -0.468 20 0 DBADRM Cc1ccc(NCCNC(=O)CCc2n[nH]c(=O)[n-]c2=O)nn1 ZINC001094256695 826211695 /nfs/dbraw/zinc/21/16/95/826211695.db2.gz FBYRGODGTZIQCN-UHFFFAOYSA-N -1 0 319.325 -0.458 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCNc1cccc(F)n1 ZINC001094527438 826246515 /nfs/dbraw/zinc/24/65/15/826246515.db2.gz IDFSXDXTIXZMLC-UHFFFAOYSA-N -1 0 310.289 -0.158 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCNc1nccnc1F ZINC001094527384 826246562 /nfs/dbraw/zinc/24/65/62/826246562.db2.gz FYVIYNOOAHZEJS-UHFFFAOYSA-N -1 0 311.277 -0.763 20 0 DBADRM CCN1C[C@@H](C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)CC1=O ZINC001274076857 833026694 /nfs/dbraw/zinc/02/66/94/833026694.db2.gz WPVMXNMFIZYYAF-FSIBCCDJSA-N -1 0 322.369 -0.859 20 0 DBADRM Cc1ccnc(NCCCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001094697204 826259918 /nfs/dbraw/zinc/25/99/18/826259918.db2.gz AQRZJJXPQFCLNW-UHFFFAOYSA-N -1 0 318.337 -0.184 20 0 DBADRM CC(C)C(=O)N[C@H]1CC(=O)N(C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001094707889 826263499 /nfs/dbraw/zinc/26/34/99/826263499.db2.gz QNOGRGWZMVSPRT-VIFPVBQESA-N -1 0 322.369 -0.932 20 0 DBADRM Cn1nccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001095231128 826314084 /nfs/dbraw/zinc/31/40/84/826314084.db2.gz YEFJAJRVLUNRED-UTLUCORTSA-N -1 0 317.353 -0.221 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ncccn1 ZINC001095781639 826344928 /nfs/dbraw/zinc/34/49/28/826344928.db2.gz IGMQKLOMFKJMBG-UHFFFAOYSA-N -1 0 305.298 -0.671 20 0 DBADRM O=C(Cc1ncc[nH]1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001096243247 826365603 /nfs/dbraw/zinc/36/56/03/826365603.db2.gz UVCMKKBTYVXTOZ-UTLUCORTSA-N -1 0 317.353 -0.302 20 0 DBADRM Cn1cncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001097454999 826420621 /nfs/dbraw/zinc/42/06/21/826420621.db2.gz SHWWVCQAYFGFDD-BBBLOLIVSA-N -1 0 317.353 -0.221 20 0 DBADRM Cc1cnc(C)nc1N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001097976896 826444270 /nfs/dbraw/zinc/44/42/70/826444270.db2.gz USUWQBNELKUXQD-MRVPVSSYSA-N -1 0 321.341 -0.287 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cccnn1 ZINC001098086932 826449381 /nfs/dbraw/zinc/44/93/81/826449381.db2.gz ZMPBYLDDUIGXKX-IEBDPFPHSA-N -1 0 315.337 -0.164 20 0 DBADRM Cn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)n1 ZINC001098391357 826475337 /nfs/dbraw/zinc/47/53/37/826475337.db2.gz DNNNMCVADGZXQZ-IEBDPFPHSA-N -1 0 317.353 -0.221 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1nccnc1F ZINC001098436009 826482116 /nfs/dbraw/zinc/48/21/16/826482116.db2.gz VIOCONNTVRGJIN-RXMQYKEDSA-N -1 0 309.261 -0.558 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001098499933 826492522 /nfs/dbraw/zinc/49/25/22/826492522.db2.gz RHVZLGYUJROHCJ-HLTSFMKQSA-N -1 0 319.325 -0.263 20 0 DBADRM O=C(N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2)c1cn[nH]n1 ZINC001098918379 826537545 /nfs/dbraw/zinc/53/75/45/826537545.db2.gz JVYPZAYXKDYPJM-SDBXPKJASA-N -1 0 318.341 -0.587 20 0 DBADRM Cc1nc(C)c(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)[nH]1 ZINC001274369479 833068941 /nfs/dbraw/zinc/06/89/41/833068941.db2.gz QOIJKEPNTWLGCX-ARJAWSKDSA-N -1 0 305.342 -0.074 20 0 DBADRM C[C@H](CCNC(=O)c1cnc([O-])n(C)c1=O)Nc1ncccn1 ZINC001099629165 826591477 /nfs/dbraw/zinc/59/14/77/826591477.db2.gz WLLAKMICOCAUCD-SECBINFHSA-N -1 0 318.337 -0.104 20 0 DBADRM CC(C)NC(=O)N1CCO[C@H]2CN(C(=O)c3cc(=O)[nH][n-]3)C[C@@H]21 ZINC001274428429 833075037 /nfs/dbraw/zinc/07/50/37/833075037.db2.gz GVZBDBDZEXLVNM-QWRGUYRKSA-N -1 0 323.353 -0.242 20 0 DBADRM CCC(CC)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099695992 826622019 /nfs/dbraw/zinc/62/20/19/826622019.db2.gz RAJVDFRUWAVLAO-WDEREUQCSA-N -1 0 311.386 -0.002 20 0 DBADRM C/C(=C/C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC1 ZINC001099715195 826632261 /nfs/dbraw/zinc/63/22/61/826632261.db2.gz DSKOUALGJKXLSL-JYNCIVQRSA-N -1 0 321.381 -0.082 20 0 DBADRM O=C(CC(F)(F)F)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099720322 826633944 /nfs/dbraw/zinc/63/39/44/826633944.db2.gz BPZVRLKGUBWYRB-RQJHMYQMSA-N -1 0 323.275 -0.486 20 0 DBADRM CC(C)=C(F)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099780923 826663342 /nfs/dbraw/zinc/66/33/42/826663342.db2.gz ONUQAFRVUCVVPP-DTWKUNHWSA-N -1 0 313.333 -0.175 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2cnc(C)[nH]c2=O)nc1 ZINC001162303787 833087971 /nfs/dbraw/zinc/08/79/71/833087971.db2.gz XDENSKRSYCYBJY-SNVBAGLBSA-N -1 0 323.334 -0.284 20 0 DBADRM O=C(CCCF)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099954504 826744723 /nfs/dbraw/zinc/74/47/23/826744723.db2.gz MZSGBCPFOGJSFJ-IUCAKERBSA-N -1 0 301.322 -0.689 20 0 DBADRM CCC1(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CC1 ZINC001099994195 826764963 /nfs/dbraw/zinc/76/49/63/826764963.db2.gz MKEDQFLCCAYXQL-NXEZZACHSA-N -1 0 309.370 -0.248 20 0 DBADRM C[C@@H](C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001274651282 833116440 /nfs/dbraw/zinc/11/64/40/833116440.db2.gz SMLBWOZZNHURCL-HMDXOVGESA-N -1 0 319.369 -0.191 20 0 DBADRM Cc1cc(N(C)CCNC(=O)c2cnc([O-])n(C)c2=O)ncn1 ZINC001100263468 826921698 /nfs/dbraw/zinc/92/16/98/826921698.db2.gz QHMINHMKSPSWFI-UHFFFAOYSA-N -1 0 318.337 -0.549 20 0 DBADRM Cc1ccnc(N(C)CCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001100263627 826921753 /nfs/dbraw/zinc/92/17/53/826921753.db2.gz ZOPFKZKZIFRRGS-UHFFFAOYSA-N -1 0 318.337 -0.549 20 0 DBADRM Cn1[n-]c(C(=O)N2CC3(CCN3Cc3cn[nH]c3)C2)cc1=O ZINC001274805172 833128525 /nfs/dbraw/zinc/12/85/25/833128525.db2.gz MLPWCPQWOIEBAS-UHFFFAOYSA-N -1 0 302.338 -0.051 20 0 DBADRM CCN(CCNC(=O)c1cnc([O-])n(C)c1=O)c1ncccn1 ZINC001100674637 826999476 /nfs/dbraw/zinc/99/94/76/826999476.db2.gz OMJGQYILFSLRPX-UHFFFAOYSA-N -1 0 318.337 -0.468 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001163339648 833148164 /nfs/dbraw/zinc/14/81/64/833148164.db2.gz KMDGPDSPQDDIFM-UHFFFAOYSA-N -1 0 305.356 -0.074 20 0 DBADRM Cc1cc(NCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001101719322 827140939 /nfs/dbraw/zinc/14/09/39/827140939.db2.gz PWSGXFCIZGAKOK-UHFFFAOYSA-N -1 0 307.314 -0.642 20 0 DBADRM CN(CCNc1ncccn1)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001102031504 827180593 /nfs/dbraw/zinc/18/05/93/827180593.db2.gz NNRUKAPNPSMKSB-UHFFFAOYSA-N -1 0 319.325 -0.424 20 0 DBADRM COc1cc(N[C@H]2SC(=O)[N-]C2=O)nc([S@@](C)=O)n1 ZINC001163662170 833162185 /nfs/dbraw/zinc/16/21/85/833162185.db2.gz KSSSJMOQJAELOS-ZDVLTJLQSA-N -1 0 302.337 -0.056 20 0 DBADRM CN1CCN(c2nccnc2N[C@H]2SC(=O)[N-]C2=O)CC1 ZINC001163665897 833162337 /nfs/dbraw/zinc/16/23/37/833162337.db2.gz PJIQGLPRKUFOJG-NSHDSACASA-N -1 0 308.367 -0.051 20 0 DBADRM NS(=O)(=O)c1ccc(N[C@H]2SC(=O)[N-]C2=O)nc1F ZINC001163666991 833162429 /nfs/dbraw/zinc/16/24/29/833162429.db2.gz PRRDTFGKSSXHQF-ZETCQYMHSA-N -1 0 306.300 -0.411 20 0 DBADRM CC(=O)c1ccc([O-])c(C(=O)N2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)c1 ZINC001275491317 833184885 /nfs/dbraw/zinc/18/48/85/833184885.db2.gz ICQMWCHSOQUWOH-CMPLNLGQSA-N -1 0 317.301 -0.093 20 0 DBADRM CN(C)C(=O)C[C@@H]1C[C@@H]2CN(C(=O)c3cc(=O)n(C)[n-]3)C[C@@H]2O1 ZINC001275609804 833193753 /nfs/dbraw/zinc/19/37/53/833193753.db2.gz CTUXGLPAKZZZAJ-SCVCMEIPSA-N -1 0 322.365 -0.167 20 0 DBADRM Cn1[n-]c(C(=O)N2CC[C@@H]3C[C@@]32C(=O)Nc2nnco2)cc1=O ZINC001275609844 833193765 /nfs/dbraw/zinc/19/37/65/833193765.db2.gz FDWUDFMCUBWAPC-UHLUBPPHSA-N -1 0 318.293 -0.248 20 0 DBADRM CN(C)C(=O)c1n[nH]c2c1CN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001275609906 833193823 /nfs/dbraw/zinc/19/38/23/833193823.db2.gz HSBKZNJKUUCKFK-UHFFFAOYSA-N -1 0 304.310 -0.293 20 0 DBADRM O=C1[N-]S(=O)(=O)c2cc(N[C@H]3C=CS(=O)(=O)C3)ccc21 ZINC001164023528 833189584 /nfs/dbraw/zinc/18/95/84/833189584.db2.gz YYALIICTASUCFT-QMMMGPOBSA-N -1 0 314.344 -0.159 20 0 DBADRM COCCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)c1cc(=O)n(C)[n-]1 ZINC001275610653 833194315 /nfs/dbraw/zinc/19/43/15/833194315.db2.gz XONLPTLOMSBCQE-BMIGLBTASA-N -1 0 322.365 -0.165 20 0 DBADRM CS(=O)(=O)c1ccnc(NCC[N-]C(=O)C(F)(F)F)n1 ZINC001164237298 833198113 /nfs/dbraw/zinc/19/81/13/833198113.db2.gz APWVCRPWIMVJDH-UHFFFAOYSA-N -1 0 312.273 -0.030 20 0 DBADRM CN(CCN(C)c1cccc(F)n1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001105436294 827448113 /nfs/dbraw/zinc/44/81/13/827448113.db2.gz BXNXZIPTWSLDTK-UHFFFAOYSA-N -1 0 324.316 -0.182 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNc2nccc(C)n2)c1[O-] ZINC001105820159 827522581 /nfs/dbraw/zinc/52/25/81/827522581.db2.gz SMFKKRBIHRCGFR-VIFPVBQESA-N -1 0 306.326 -0.275 20 0 DBADRM NC(=O)[C@H]1CCC[C@@]12CCN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001275820439 833211958 /nfs/dbraw/zinc/21/19/58/833211958.db2.gz IUAGUFVQZDQRHV-CLAHSXSESA-N -1 0 306.322 -0.819 20 0 DBADRM Cc1ccnc(NCC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001106395310 827654020 /nfs/dbraw/zinc/65/40/20/827654020.db2.gz JUTGQJFKMJHFNX-QMMMGPOBSA-N -1 0 321.341 -0.205 20 0 DBADRM Cc1ccc(NCC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001106395991 827654471 /nfs/dbraw/zinc/65/44/71/827654471.db2.gz XJLMJARJFBEBJE-QMMMGPOBSA-N -1 0 321.341 -0.205 20 0 DBADRM C[C@H](CCNc1ncccn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001106395714 827654486 /nfs/dbraw/zinc/65/44/86/827654486.db2.gz QHVOBGPJDNXKTH-MRVPVSSYSA-N -1 0 307.314 -0.514 20 0 DBADRM C[C@@H](CCNc1ncccn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001106395715 827654737 /nfs/dbraw/zinc/65/47/37/827654737.db2.gz QHVOBGPJDNXKTH-QMMMGPOBSA-N -1 0 307.314 -0.514 20 0 DBADRM C[C@H](CCNc1ncc(F)cn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001106643425 827666910 /nfs/dbraw/zinc/66/69/10/827666910.db2.gz BNWZSHXRIOMLFM-ZCFIWIBFSA-N -1 0 323.288 -0.168 20 0 DBADRM O=C(Nc1nnco1)[C@H]1CC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276019311 833235728 /nfs/dbraw/zinc/23/57/28/833235728.db2.gz NDSUUQLCUBPTNW-ZCFIWIBFSA-N -1 0 304.266 -0.401 20 0 DBADRM O=C(NCc1c[nH]cn1)[C@@H]1CC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276022884 833235735 /nfs/dbraw/zinc/23/57/35/833235735.db2.gz MXSOLHWTRZGEEC-VIFPVBQESA-N -1 0 316.321 -0.383 20 0 DBADRM CN(C)C(=O)c1n[nH]c2c1CCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276022889 833235814 /nfs/dbraw/zinc/23/58/14/833235814.db2.gz NDWPPMJQGPXXLY-UHFFFAOYSA-N -1 0 304.310 -0.261 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CC2(C1)CC[C@@H](C(=O)N1CC=CC1)O2 ZINC001276025298 833236640 /nfs/dbraw/zinc/23/66/40/833236640.db2.gz MZIBGQXNBNXAFN-NSHDSACASA-N -1 0 318.333 -0.113 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1C[C@@H]2C(C(=O)N3CC=CC3)=NO[C@@H]2C1 ZINC001276025294 833236895 /nfs/dbraw/zinc/23/68/95/833236895.db2.gz MWXJDSONJLSTRZ-WCBMZHEXSA-N -1 0 317.305 -0.660 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CC2(C1)CC[C@H](C(=O)N1CC=CC1)O2 ZINC001276025297 833236927 /nfs/dbraw/zinc/23/69/27/833236927.db2.gz MZIBGQXNBNXAFN-LLVKDONJSA-N -1 0 318.333 -0.113 20 0 DBADRM COCCN(C)C(=O)[C@@H]1CC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276025047 833236951 /nfs/dbraw/zinc/23/69/51/833236951.db2.gz KXMIZHZVFRSQFC-VIFPVBQESA-N -1 0 308.338 -0.318 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC=CCNc1nccnc1F ZINC001107281395 827737101 /nfs/dbraw/zinc/73/71/01/827737101.db2.gz LOXBMFODFSJMAJ-OWOJBTEDSA-N -1 0 323.288 -0.597 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC/C=C/CNc1ncccn1 ZINC001107287423 827738152 /nfs/dbraw/zinc/73/81/52/827738152.db2.gz WEWMTRXTZRTOSC-OWOJBTEDSA-N -1 0 305.298 -0.736 20 0 DBADRM O=C(NCC=CCNc1cc(F)ncn1)c1n[nH]c(=O)[n-]c1=O ZINC001107605141 827755992 /nfs/dbraw/zinc/75/59/92/827755992.db2.gz WSPIMXDVGGJCKQ-OWOJBTEDSA-N -1 0 321.272 -0.390 20 0 DBADRM O=C(NCC=CCNc1cc(F)ncn1)c1n[nH]c(=O)[n-]c1=O ZINC001107605142 827756357 /nfs/dbraw/zinc/75/63/57/827756357.db2.gz WSPIMXDVGGJCKQ-UPHRSURJSA-N -1 0 321.272 -0.390 20 0 DBADRM CC(C)(F)C(=O)NC[C@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107683740 827767834 /nfs/dbraw/zinc/76/78/34/827767834.db2.gz TZMUEWSTTUNRLI-CYBMUJFWSA-N -1 0 315.349 -0.035 20 0 DBADRM CO[C@H](C)C(=O)NC[C@@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107779672 827792902 /nfs/dbraw/zinc/79/29/02/827792902.db2.gz QEXYPQLVMVEBNE-RNCFNFMXSA-N -1 0 313.358 -0.748 20 0 DBADRM Cc1nccc(NC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001107869239 827818228 /nfs/dbraw/zinc/81/82/28/827818228.db2.gz SFPBZQPSNWOEEW-SSDOTTSWSA-N -1 0 307.314 -0.595 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@]2(C)CN(C[C@H](C)O)CCO2)c1[O-] ZINC001107872005 827819628 /nfs/dbraw/zinc/81/96/28/827819628.db2.gz MKVVMFIDXWLAHR-LKFCYVNXSA-N -1 0 312.370 -0.375 20 0 DBADRM C[C@@]1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CN(CCF)CCO1 ZINC001108052033 827882440 /nfs/dbraw/zinc/88/24/40/827882440.db2.gz VKBJGHXPCRKYEQ-GFCCVEGCSA-N -1 0 315.305 -0.927 20 0 DBADRM C[C@]1(CNC(=O)CCCF)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001108124522 827901060 /nfs/dbraw/zinc/90/10/60/827901060.db2.gz MXHQGTFFCHFBOU-ZDUSSCGKSA-N -1 0 315.349 -0.033 20 0 DBADRM C[C@H](CNc1cc(F)ncn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001108208487 827920368 /nfs/dbraw/zinc/92/03/68/827920368.db2.gz IFENCDSYMCVFRA-RXMQYKEDSA-N -1 0 309.261 -0.558 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNc2nccn3nnnc23)c1[O-] ZINC001108311470 827943583 /nfs/dbraw/zinc/94/35/83/827943583.db2.gz CZNXVJVEZJEODP-LURJTMIESA-N -1 0 317.313 -0.513 20 0 DBADRM C[C@@H](CNc1cccc(F)n1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001108465962 827980500 /nfs/dbraw/zinc/98/05/00/827980500.db2.gz FJLZZWNTPLHDGZ-ZETCQYMHSA-N -1 0 310.289 -0.160 20 0 DBADRM C[C@@H](CNc1nccnc1F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001108781815 828047544 /nfs/dbraw/zinc/04/75/44/828047544.db2.gz CPKNHNPWNMZVBF-YFKPBYRVSA-N -1 0 309.261 -0.558 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001108902147 828061967 /nfs/dbraw/zinc/06/19/67/828061967.db2.gz BXNZXQYCDKOOOV-VFRUTBLMSA-N -1 0 322.369 -0.744 20 0 DBADRM Cc1ccnc(N(C)C[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001109043730 828080777 /nfs/dbraw/zinc/08/07/77/828080777.db2.gz FKZWONJAUKDTFX-SECBINFHSA-N -1 0 321.341 -0.571 20 0 DBADRM C[C@H](CN(C)c1ncc(F)cn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001109310078 828109466 /nfs/dbraw/zinc/10/94/66/828109466.db2.gz XPPBUZBVUHDXAV-ZCFIWIBFSA-N -1 0 323.288 -0.533 20 0 DBADRM Cc1cc(N(C)C[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001109309607 828109630 /nfs/dbraw/zinc/10/96/30/828109630.db2.gz KMVJCWTZNMAUPD-MRVPVSSYSA-N -1 0 319.325 -0.364 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(Nc2ncccn2)CC1 ZINC001110195436 828156944 /nfs/dbraw/zinc/15/69/44/828156944.db2.gz IAPNGOTXYVETIZ-UHFFFAOYSA-N -1 0 305.298 -0.760 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110304266 828167921 /nfs/dbraw/zinc/16/79/21/828167921.db2.gz VHRLWOPQZXXJEH-MXWKQRLJSA-N -1 0 322.369 -0.790 20 0 DBADRM CCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110393681 828175587 /nfs/dbraw/zinc/17/55/87/828175587.db2.gz QDFBCKWVEMEJCE-BBBLOLIVSA-N -1 0 322.369 -0.742 20 0 DBADRM O=C(NCC1(Nc2cnc(F)cn2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001110406418 828177355 /nfs/dbraw/zinc/17/73/55/828177355.db2.gz KYJSVZCNTHTSPC-UHFFFAOYSA-N -1 0 321.272 -0.414 20 0 DBADRM CCc1c(Cl)nc(S(C)(=O)=O)nc1N[C@@H]1CO[N-]C1=O ZINC001167510933 833301980 /nfs/dbraw/zinc/30/19/80/833301980.db2.gz INSKMFVUTBWMDU-ZCFIWIBFSA-N -1 0 320.758 -0.062 20 0 DBADRM O=C1[N-]OC[C@H]1Nc1nc(Cl)nc2c1CS(=O)(=O)CC2 ZINC001167506418 833302086 /nfs/dbraw/zinc/30/20/86/833302086.db2.gz AMLVFRZEPHHTSY-SSDOTTSWSA-N -1 0 318.742 -0.557 20 0 DBADRM COC(=O)c1ccc(S(C)(=O)=O)c(N[C@@H]2CO[N-]C2=O)c1 ZINC001167519371 833302479 /nfs/dbraw/zinc/30/24/79/833302479.db2.gz RIVPQHAMHCTHFP-SECBINFHSA-N -1 0 314.319 -0.281 20 0 DBADRM CN1CCN(C(=O)c2cccc(N[C@@H]3CO[N-]C3=O)c2)CC1 ZINC001167522568 833302561 /nfs/dbraw/zinc/30/25/61/833302561.db2.gz JMOOLRQKJXFLCN-CYBMUJFWSA-N -1 0 304.350 -0.084 20 0 DBADRM COCc1nc(C)cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001167858153 833311568 /nfs/dbraw/zinc/31/15/68/833311568.db2.gz LNPHLTBTJUKUCT-XVKPBYJWSA-N -1 0 316.339 -0.255 20 0 DBADRM C[C@H]1[C@H](Nc2cc3c(nn2)OCCO3)C(=O)N1S(=O)(=O)[O-] ZINC001167857401 833311590 /nfs/dbraw/zinc/31/15/90/833311590.db2.gz BBQSELDBZVRTQN-XNCJUZBTSA-N -1 0 316.295 -0.938 20 0 DBADRM C[C@H]1[C@H](Nc2ncc3c(ccn3C)n2)C(=O)N1S(=O)(=O)[O-] ZINC001167859616 833311937 /nfs/dbraw/zinc/31/19/37/833311937.db2.gz ZVQFYYGRRCXRON-RCOVLWMOSA-N -1 0 311.323 -0.218 20 0 DBADRM Cc1nc(Cl)nnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167859531 833311962 /nfs/dbraw/zinc/31/19/62/833311962.db2.gz YMTUEJAEBQUPNR-WHFBIAKZSA-N -1 0 307.719 -0.353 20 0 DBADRM C[C@H]1[C@H](Nc2cnc(N3CCC3)nc2)C(=O)N1S(=O)(=O)[O-] ZINC001167859090 833311971 /nfs/dbraw/zinc/31/19/71/833311971.db2.gz ONPZEMTWJURODR-CBAPKCEASA-N -1 0 313.339 -0.499 20 0 DBADRM C[C@H]1[C@H](Nc2ncccc2C(N)=S)C(=O)N1S(=O)(=O)[O-] ZINC001167859184 833312042 /nfs/dbraw/zinc/31/20/42/833312042.db2.gz VOCKHCXVKGQJIW-FSPLSTOPSA-N -1 0 316.364 -0.470 20 0 DBADRM CC(C)n1ncc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1=O ZINC001167861108 833312093 /nfs/dbraw/zinc/31/20/93/833312093.db2.gz DBNWXDBSDMWJOB-XVKPBYJWSA-N -1 0 316.339 -0.362 20 0 DBADRM N=C(Nc1ccc(CC(N)=O)nn1)SCCS(=O)(=O)[O-] ZINC001168088872 833317798 /nfs/dbraw/zinc/31/77/98/833317798.db2.gz KXTVPJPQWIWRMO-UHFFFAOYSA-N -1 0 319.368 -0.528 20 0 DBADRM N=C(Nc1cnc(C(N)=O)cn1)SCCS(=O)(=O)[O-] ZINC001168087731 833317854 /nfs/dbraw/zinc/31/78/54/833317854.db2.gz GZKQXDMKVLZSFP-UHFFFAOYSA-N -1 0 305.341 -0.457 20 0 DBADRM N=C(Nc1cc(C(N)=O)ncn1)SCCS(=O)(=O)[O-] ZINC001168089946 833317934 /nfs/dbraw/zinc/31/79/34/833317934.db2.gz CIEIDPKXEVDVNX-UHFFFAOYSA-N -1 0 305.341 -0.457 20 0 DBADRM CN(C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1nnn[n-]1 ZINC001168358976 833323571 /nfs/dbraw/zinc/32/35/71/833323571.db2.gz LUDFCPNONHUMKV-CYBMUJFWSA-N -1 0 315.293 -0.469 20 0 DBADRM C[C@@H](O)[C@H](O)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001168763123 833328402 /nfs/dbraw/zinc/32/84/02/833328402.db2.gz AYCGQYWGJSBZNA-LDYMZIIASA-N -1 0 323.374 -0.457 20 0 DBADRM COCCn1cc(S(=O)(=O)[N-]c2nc3ncccn3n2)cn1 ZINC001116341559 828889797 /nfs/dbraw/zinc/88/97/97/828889797.db2.gz BSPSFBBSFALODE-UHFFFAOYSA-N -1 0 323.338 -0.232 20 0 DBADRM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)NC(C)C ZINC001116438815 828895294 /nfs/dbraw/zinc/89/52/94/828895294.db2.gz QGMCZWYCFUKXSL-UWVGGRQHSA-N -1 0 301.368 -0.468 20 0 DBADRM CN(C)S(=O)(=O)CCNc1cccc(S(=O)(=O)[O-])n1 ZINC001168861049 833329861 /nfs/dbraw/zinc/32/98/61/833329861.db2.gz YWWNYGAXMVBEKA-UHFFFAOYSA-N -1 0 309.369 -0.368 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)C(=O)[N-]OC2CCCC2)cn1 ZINC001116466285 828895934 /nfs/dbraw/zinc/89/59/34/828895934.db2.gz RVRRSWQSLXISPD-UHFFFAOYSA-N -1 0 309.326 -0.442 20 0 DBADRM O=C(c1cccn2c(=O)[nH]nc12)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001116514247 828899529 /nfs/dbraw/zinc/89/95/29/828899529.db2.gz CRTHPRFFFXMDNF-QMMMGPOBSA-N -1 0 314.309 -0.032 20 0 DBADRM O=C(c1cccn2c(=O)[nH]nc12)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001116514246 828899636 /nfs/dbraw/zinc/89/96/36/828899636.db2.gz CRTHPRFFFXMDNF-MRVPVSSYSA-N -1 0 314.309 -0.032 20 0 DBADRM COCCOCc1noc(Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001116613293 828903771 /nfs/dbraw/zinc/90/37/71/828903771.db2.gz SIJJBHNPVOXRIT-UHFFFAOYSA-N -1 0 306.282 -0.335 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccnn1Cc1ccsc1 ZINC001116735075 828910399 /nfs/dbraw/zinc/91/03/99/828910399.db2.gz KMDWJTQGJHVLSS-UHFFFAOYSA-N -1 0 323.334 -0.536 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1ccc(S(=O)(=O)NC)cc1 ZINC001116735238 828910432 /nfs/dbraw/zinc/91/04/32/828910432.db2.gz QJPUGFGHAMGZKV-UHFFFAOYSA-N -1 0 301.324 -0.399 20 0 DBADRM O=C(c1cn2ccccc2n1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001116960811 828923963 /nfs/dbraw/zinc/92/39/63/828923963.db2.gz ZNLBXNAUNOMUAC-UHFFFAOYSA-N -1 0 313.321 -0.029 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC001117487846 828985199 /nfs/dbraw/zinc/98/51/99/828985199.db2.gz KUGZBYFQLHTGGX-BXUZGUMPSA-N -1 0 316.354 -0.475 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1ccc(C)n(C)c1=O ZINC001117618477 828999323 /nfs/dbraw/zinc/99/93/23/828999323.db2.gz KFAOCHICFHATEH-UHFFFAOYSA-N -1 0 311.338 -0.606 20 0 DBADRM COC[C@H](CNC(=O)C(=O)NCc1ccc(O)c(F)c1)OC ZINC001117636523 829002160 /nfs/dbraw/zinc/00/21/60/829002160.db2.gz KBRJAQTWDIKZSR-JTQLQIEISA-N -1 0 314.313 -0.075 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2cnn3ccncc23)cnn1C ZINC001117722922 829011383 /nfs/dbraw/zinc/01/13/83/829011383.db2.gz LYJPNPQORIAWFM-UHFFFAOYSA-N -1 0 320.334 -0.110 20 0 DBADRM [NH3+]CCOCCOCCNc1ccc(P(=O)([O-])[O-])cc1 ZINC001170512375 833354567 /nfs/dbraw/zinc/35/45/67/833354567.db2.gz BQJBXPVLDVHFSJ-UHFFFAOYSA-N -1 0 304.283 -0.107 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)C1 ZINC001118190195 829046965 /nfs/dbraw/zinc/04/69/65/829046965.db2.gz IGAUZWSAKXBCDG-VPJDZLOFSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C(c1nnc2ccccc2n1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001170384821 833351934 /nfs/dbraw/zinc/35/19/34/833351934.db2.gz USOKDEYVVJMYIH-SNVBAGLBSA-N -1 0 312.293 -0.248 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCc1nnc2n1CCCCC2 ZINC001118190840 829047980 /nfs/dbraw/zinc/04/79/80/829047980.db2.gz NDAXIVXHAJFHNU-UHFFFAOYSA-N -1 0 323.353 -0.398 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NCCCc1ncn(C)n1)C(=O)[O-] ZINC001118191212 829048165 /nfs/dbraw/zinc/04/81/65/829048165.db2.gz VTKMSBXWDVVIIS-VIFPVBQESA-N -1 0 311.342 -0.957 20 0 DBADRM O=CNc1ccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1 ZINC001170375425 833352159 /nfs/dbraw/zinc/35/21/59/833352159.db2.gz MLQHLGYWRQKUEK-LLVKDONJSA-N -1 0 302.294 -0.018 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC001118218309 829051831 /nfs/dbraw/zinc/05/18/31/829051831.db2.gz JMQLYYUXJCCXMZ-UHFFFAOYSA-N -1 0 305.342 -0.192 20 0 DBADRM NC(=O)C1(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001118218702 829051995 /nfs/dbraw/zinc/05/19/95/829051995.db2.gz JYBWCVQJLBZUEB-MRVPVSSYSA-N -1 0 307.310 -0.595 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1ccc(=O)n(CCOC)c1 ZINC001118228218 829053720 /nfs/dbraw/zinc/05/37/20/829053720.db2.gz QWOMFSQLCBWCSP-UHFFFAOYSA-N -1 0 312.326 -0.316 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(C(N)=O)c1C ZINC001118246988 829056441 /nfs/dbraw/zinc/05/64/41/829056441.db2.gz WPXVHEKGEQVMFR-UHFFFAOYSA-N -1 0 322.321 -0.784 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)CC(C)(C)OC ZINC001118289667 829063977 /nfs/dbraw/zinc/06/39/77/829063977.db2.gz LIYRPZXNRCSKCO-VIFPVBQESA-N -1 0 303.359 -0.510 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CC)Cc1ccncc1 ZINC001118301767 829065365 /nfs/dbraw/zinc/06/53/65/829065365.db2.gz UCCIYSFARCVYJC-UHFFFAOYSA-N -1 0 308.338 -0.386 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)C(=O)NC[C@H](C)C(=O)[O-])s1 ZINC001118326243 829069721 /nfs/dbraw/zinc/06/97/21/829069721.db2.gz QSOMWLRNMXANMD-NTSWFWBYSA-N -1 0 300.340 -0.139 20 0 DBADRM O=C(CN1C(=O)CNC1=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001118344593 829072159 /nfs/dbraw/zinc/07/21/59/829072159.db2.gz MAAXWZXQJFRSSQ-WDEREUQCSA-N -1 0 317.301 -0.032 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCc2ccccc2NC1=O ZINC001118347447 829073224 /nfs/dbraw/zinc/07/32/24/829073224.db2.gz UIEKGOBVVBFJOR-LBPRGKRZSA-N -1 0 321.333 -0.250 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC001118349109 829073716 /nfs/dbraw/zinc/07/37/16/829073716.db2.gz SFLTWDRXPKZZLS-JTQLQIEISA-N -1 0 323.349 -0.460 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(C)c(OC)c1 ZINC001118348165 829073874 /nfs/dbraw/zinc/07/38/74/829073874.db2.gz JTTGLSDXKSQYKV-UHFFFAOYSA-N -1 0 323.349 -0.196 20 0 DBADRM CCN1C[C@@H](CNC(=O)C(=O)[N-]OC2CCOCC2)CC1=O ZINC001118365182 829076315 /nfs/dbraw/zinc/07/63/15/829076315.db2.gz VLCKPLBRZGQATQ-SNVBAGLBSA-N -1 0 313.354 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1cccc(C)n1 ZINC001118366792 829076431 /nfs/dbraw/zinc/07/64/31/829076431.db2.gz ZXBBADWKBUDXEL-UHFFFAOYSA-N -1 0 308.338 -0.468 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001118390847 829079209 /nfs/dbraw/zinc/07/92/09/829079209.db2.gz YUWQHELJUKHSSC-DTWKUNHWSA-N -1 0 310.310 -0.294 20 0 DBADRM COCCOCCN1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC1 ZINC001118511726 829096296 /nfs/dbraw/zinc/09/62/96/829096296.db2.gz SZUUGGZQGLVKTR-CQSZACIVSA-N -1 0 318.370 -0.717 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)[C@@](C)(OC)C(=O)[O-])CC2 ZINC001118512030 829096355 /nfs/dbraw/zinc/09/63/55/829096355.db2.gz DSPOHVXYNBCGNK-AMIZOPFISA-N -1 0 312.326 -0.655 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001118535578 829101935 /nfs/dbraw/zinc/10/19/35/829101935.db2.gz AYWLFFYYLGFGJC-BTKVJGODSA-N -1 0 318.395 -0.417 20 0 DBADRM CN(C)C(=O)CCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001118541200 829102161 /nfs/dbraw/zinc/10/21/61/829102161.db2.gz GJMRYRAQPNQMFE-UHFFFAOYSA-N -1 0 322.321 -0.297 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@H](OC)[C@@H]1CCOC1 ZINC001118542916 829102472 /nfs/dbraw/zinc/10/24/72/829102472.db2.gz ZAKQCOLLWFHCRN-GHMZBOCLSA-N -1 0 309.384 -0.090 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCC3=C(CCC(=O)N3)C2)C1 ZINC001118572597 829106931 /nfs/dbraw/zinc/10/69/31/829106931.db2.gz UAJQZZRXFNJNQY-SNVBAGLBSA-N -1 0 321.333 -0.684 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001118575125 829107423 /nfs/dbraw/zinc/10/74/23/829107423.db2.gz RVEBLOVKJOXOSN-LBPRGKRZSA-N -1 0 322.383 -0.736 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC001118575163 829107472 /nfs/dbraw/zinc/10/74/72/829107472.db2.gz SXTKUECFQAHTIQ-NSHDSACASA-N -1 0 319.339 -0.644 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC001118574554 829107616 /nfs/dbraw/zinc/10/76/16/829107616.db2.gz IYMSYCLJLNUSLH-SMDDNHRTSA-N -1 0 302.371 -0.051 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001118721695 829126184 /nfs/dbraw/zinc/12/61/84/829126184.db2.gz UEPVRZXDJAOXFT-UHFFFAOYSA-N -1 0 315.282 -0.101 20 0 DBADRM COC(=O)CSCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001118767071 829132175 /nfs/dbraw/zinc/13/21/75/829132175.db2.gz SNKCWEJBXZLEEL-UHFFFAOYSA-N -1 0 310.335 -0.341 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)CCCCCCS(N)(=O)=O ZINC001118771540 829132978 /nfs/dbraw/zinc/13/29/78/829132978.db2.gz IUFRSAXDCPXXSC-UHFFFAOYSA-N -1 0 320.371 -0.027 20 0 DBADRM COc1ccc(CCNC(=O)C(=O)NCCCC(=O)[O-])cn1 ZINC001118861886 829141538 /nfs/dbraw/zinc/14/15/38/829141538.db2.gz QOJGDRZBYOELSB-UHFFFAOYSA-N -1 0 309.322 -0.270 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001118921318 829153871 /nfs/dbraw/zinc/15/38/71/829153871.db2.gz PUAMZNFYSBVNII-KOLCDFICSA-N -1 0 323.353 -0.517 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2nccn2C)CC[C@@H]1C(=O)[O-] ZINC001118921121 829154022 /nfs/dbraw/zinc/15/40/22/829154022.db2.gz KLAHDIPVUNFHSY-ZJUUUORDSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CCCCO)CC[C@@H]1C(=O)[O-] ZINC001118958377 829198173 /nfs/dbraw/zinc/19/81/73/829198173.db2.gz CDDKIBWJTZDTNO-QWRGUYRKSA-N -1 0 300.355 -0.214 20 0 DBADRM COC[C@@H](NC(=O)/C=C\c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC001118974291 829199859 /nfs/dbraw/zinc/19/98/59/829199859.db2.gz ZVKJRRWKOKDHNF-AZVKUDOFSA-N -1 0 317.319 -0.088 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1c2ccccc2C(=O)N1C ZINC001119257408 829242099 /nfs/dbraw/zinc/24/20/99/829242099.db2.gz PJFJPRDIBNWBFX-GFCCVEGCSA-N -1 0 321.333 -0.376 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2ncccn2)CC[C@@H]1C(=O)[O-] ZINC001119295839 829247134 /nfs/dbraw/zinc/24/71/34/829247134.db2.gz YMRXIFWHWZBRCX-UWVGGRQHSA-N -1 0 306.322 -0.338 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2ncccn2)CC[C@H]1C(=O)[O-] ZINC001119295840 829247578 /nfs/dbraw/zinc/24/75/78/829247578.db2.gz YMRXIFWHWZBRCX-VHSXEESVSA-N -1 0 306.322 -0.338 20 0 DBADRM O=C(NCCN1CCSCC1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001119397666 829257780 /nfs/dbraw/zinc/25/77/80/829257780.db2.gz REZPQXIZXDJDQU-MGCOHNPYSA-N -1 0 315.395 -0.869 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)[N-]N3C(=O)[C@@H](C)N(C)C3=O)nc2C1 ZINC001119589321 829279034 /nfs/dbraw/zinc/27/90/34/829279034.db2.gz ULFGUKJOFSVLRJ-RKDXNWHRSA-N -1 0 321.337 -0.228 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)[N-]N3C(=O)[C@H](C)N(C)C3=O)nc2C1 ZINC001119589319 829279170 /nfs/dbraw/zinc/27/91/70/829279170.db2.gz ULFGUKJOFSVLRJ-DTWKUNHWSA-N -1 0 321.337 -0.228 20 0 DBADRM CC(C)OCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001119639149 829285638 /nfs/dbraw/zinc/28/56/38/829285638.db2.gz ZHFMNOUGIVLCAT-UHFFFAOYSA-N -1 0 317.386 -0.160 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC001119810350 829307735 /nfs/dbraw/zinc/30/77/35/829307735.db2.gz OUGVPPPSYXGDPG-LLVKDONJSA-N -1 0 319.361 -0.299 20 0 DBADRM CCS[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(=O)[N-]OC ZINC001119840862 829311676 /nfs/dbraw/zinc/31/16/76/829311676.db2.gz ORSFAXZBWYQLDS-NXEZZACHSA-N -1 0 317.411 -0.039 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC001119848218 829312892 /nfs/dbraw/zinc/31/28/92/829312892.db2.gz JELWNLWILXQXHE-RQJHMYQMSA-N -1 0 311.260 -0.421 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@H]1c1cccn1C ZINC001119848359 829313007 /nfs/dbraw/zinc/31/30/07/829313007.db2.gz MSXRSGMMCSYGCV-LBPRGKRZSA-N -1 0 322.365 -0.128 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC2(C[C@@H]1C)CCOCC2 ZINC001119925210 829323783 /nfs/dbraw/zinc/32/37/83/829323783.db2.gz JRFBGQYHSLCMFA-JTQLQIEISA-N -1 0 313.354 -0.802 20 0 DBADRM CCCO[C@H]1CCCN(C(=O)C(=O)NCC(=O)[N-]OC)CC1 ZINC001119925671 829323855 /nfs/dbraw/zinc/32/38/55/829323855.db2.gz OGUBKPSQRBFEJR-NSHDSACASA-N -1 0 315.370 -0.412 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1COC(C)(C)C ZINC001119925506 829324122 /nfs/dbraw/zinc/32/41/22/829324122.db2.gz MAVGWCIVPMXVBK-SNVBAGLBSA-N -1 0 315.370 -0.414 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCOc2cc(F)ccc2C1 ZINC001120285239 829348323 /nfs/dbraw/zinc/34/83/23/829348323.db2.gz LGBJOBNKRRAJBB-UHFFFAOYSA-N -1 0 322.300 -0.111 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@H]2CSC[C@@H]2C1 ZINC001120301811 829348887 /nfs/dbraw/zinc/34/88/87/829348887.db2.gz UQDVCGJLFZKGMM-UWVGGRQHSA-N -1 0 312.399 -0.070 20 0 DBADRM Cc1nc(CC(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cs1 ZINC001176140518 833401250 /nfs/dbraw/zinc/40/12/50/833401250.db2.gz UVETUAAGWQXAMT-CDUCUWFYSA-N -1 0 319.364 -0.488 20 0 DBADRM Cc1ccc(N[C@H](C)CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001120928291 829411943 /nfs/dbraw/zinc/41/19/43/829411943.db2.gz JUBBNYIGVDPGNK-MRVPVSSYSA-N -1 0 319.325 -0.046 20 0 DBADRM Cc1ccnc(N[C@H](C)CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001120928141 829412077 /nfs/dbraw/zinc/41/20/77/829412077.db2.gz IKOIPNYIALLEDM-MRVPVSSYSA-N -1 0 319.325 -0.046 20 0 DBADRM CCOCCOCCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1C ZINC001121442627 829482389 /nfs/dbraw/zinc/48/23/89/829482389.db2.gz MDLBOGHMAKSVGO-UHFFFAOYSA-N -1 0 310.358 -0.472 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)[C@@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176668635 833416071 /nfs/dbraw/zinc/41/60/71/833416071.db2.gz RKDWKLSMAGVFHR-PHNJOPHVSA-N -1 0 324.318 -0.582 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176684946 833417254 /nfs/dbraw/zinc/41/72/54/833417254.db2.gz QQXCXRIWIROJPA-YFKPBYRVSA-N -1 0 306.282 -0.867 20 0 DBADRM CO[C@@H]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001121816714 829516778 /nfs/dbraw/zinc/51/67/78/829516778.db2.gz DXBQVZLQUGTZEQ-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C(Cc1nnn[n-]1)Nc1nc(Cl)c(Cl)nc1CO ZINC001176837700 833421554 /nfs/dbraw/zinc/42/15/54/833421554.db2.gz BQXOHDVOPOMPRY-UHFFFAOYSA-N -1 0 304.097 -0.030 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001176840281 833422080 /nfs/dbraw/zinc/42/20/80/833422080.db2.gz OAKFFWZXQDZXON-RCOVLWMOSA-N -1 0 311.239 -0.004 20 0 DBADRM COc1cc(O[C@H]2CCN(C(=O)Cc3nnn[n-]3)C2)ccn1 ZINC001176842289 833422865 /nfs/dbraw/zinc/42/28/65/833422865.db2.gz GBVVEWYKIXPLCV-JTQLQIEISA-N -1 0 304.310 -0.174 20 0 DBADRM O=C(CCCNC(=O)c1cccnc1)NCc1n[nH]c(=O)[n-]1 ZINC001176893167 833431612 /nfs/dbraw/zinc/43/16/12/833431612.db2.gz ZUHVLJCATDJBRV-UHFFFAOYSA-N -1 0 304.310 -0.268 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNc2nccnc2F)c1[O-] ZINC001124309068 829737446 /nfs/dbraw/zinc/73/74/46/829737446.db2.gz APWWASMTNXQQGW-QMMMGPOBSA-N -1 0 324.316 -0.102 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN[C@@H](C)c2nnnn2C2CC2)c1[O-] ZINC001125734147 829876160 /nfs/dbraw/zinc/87/61/60/829876160.db2.gz HPGMCCNIRFWYJE-QMMMGPOBSA-N -1 0 320.357 -0.174 20 0 DBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)N1CCS(=O)(=O)CC1 ZINC001180171844 833571133 /nfs/dbraw/zinc/57/11/33/833571133.db2.gz CLPMPFCVVSLAHQ-UHFFFAOYSA-N -1 0 307.221 -0.401 20 0 DBADRM C[C@@]1(CO)CCN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])C[C@@H]1O ZINC001180172029 833571192 /nfs/dbraw/zinc/57/11/92/833571192.db2.gz JANMCHFRGVMSBU-RCOVLWMOSA-N -1 0 317.235 -0.067 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])CCO1 ZINC001180174865 833571684 /nfs/dbraw/zinc/57/16/84/833571684.db2.gz SMOKUZQGIQKDSI-SCSAIBSYSA-N -1 0 302.180 -0.946 20 0 DBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001180172307 833571799 /nfs/dbraw/zinc/57/17/99/833571799.db2.gz SCXCRKLQHGLIGS-RITPCOANSA-N -1 0 303.208 -0.457 20 0 DBADRM O=C(CN1C[C@H](c2ccccc2)CC1=O)NCc1nnn[n-]1 ZINC001180311458 833581102 /nfs/dbraw/zinc/58/11/02/833581102.db2.gz BMXUTXCRTSTBKR-LLVKDONJSA-N -1 0 300.322 -0.168 20 0 DBADRM O=C(CN1C[C@H](c2ccccc2)CC1=O)N[C@@H]1CO[N-]C1=O ZINC001180312649 833581289 /nfs/dbraw/zinc/58/12/89/833581289.db2.gz MRGGWTLPYGFILB-VXGBXAGGSA-N -1 0 303.318 -0.451 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001180636943 833596245 /nfs/dbraw/zinc/59/62/45/833596245.db2.gz ITKSVUCUAUMIPJ-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM Cc1conc1CNCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001130556438 830341883 /nfs/dbraw/zinc/34/18/83/830341883.db2.gz HRDJFHZNKLNVBN-UHFFFAOYSA-N -1 0 324.341 -0.328 20 0 DBADRM Cc1conc1CNCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001130757260 830376633 /nfs/dbraw/zinc/37/66/33/830376633.db2.gz YSCYLCKRIFXMOV-UHFFFAOYSA-N -1 0 322.325 -0.582 20 0 DBADRM O=C(NCCNC/C(Cl)=C\Cl)c1n[nH]c(=O)[n-]c1=O ZINC001130862822 830400722 /nfs/dbraw/zinc/40/07/22/830400722.db2.gz HIAJWXRCMAUPNA-HWKANZROSA-N -1 0 308.125 -0.079 20 0 DBADRM CCCc1noc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001130862495 830400787 /nfs/dbraw/zinc/40/07/87/830400787.db2.gz AGSCWNLWNADFOH-UHFFFAOYSA-N -1 0 323.313 -0.862 20 0 DBADRM CCC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001131912534 830560304 /nfs/dbraw/zinc/56/03/04/830560304.db2.gz ZLFOBPAUQDQQLP-UWVGGRQHSA-N -1 0 324.385 -0.494 20 0 DBADRM Cc1nnc(CNCCNC(=O)c2cnc([O-])n(C)c2=O)s1 ZINC001132242044 830611840 /nfs/dbraw/zinc/61/18/40/830611840.db2.gz HEZPZFUJPIAUAM-UHFFFAOYSA-N -1 0 324.366 -0.835 20 0 DBADRM COc1cc(CNCCNC(=O)c2cnc([O-])n(C)c2=O)on1 ZINC001132242467 830612146 /nfs/dbraw/zinc/61/21/46/830612146.db2.gz OSCCBIKDFDDJTD-UHFFFAOYSA-N -1 0 323.309 -0.998 20 0 DBADRM Cc1nnc([C@@H](C)NCCNC(=O)c2cnc([O-])n(C)c2=O)o1 ZINC001132242646 830612338 /nfs/dbraw/zinc/61/23/38/830612338.db2.gz WYSHXCFDCRSUTR-SSDOTTSWSA-N -1 0 322.325 -0.742 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)CC(=O)N(C)C)CN1Cc1n[nH]c(=O)[n-]1 ZINC001132352909 830635703 /nfs/dbraw/zinc/63/57/03/830635703.db2.gz BXYWSIHWXMHVGV-ZJUUUORDSA-N -1 0 324.385 -0.542 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)Cn1nc(Cl)ccc1=O ZINC001181897144 833648222 /nfs/dbraw/zinc/64/82/22/833648222.db2.gz YHUHGKVPJCOUPR-UHFFFAOYSA-N -1 0 301.686 -0.553 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)CCCC(N)=O)CN1Cc1n[nH]c(=O)[n-]1 ZINC001132543026 830668184 /nfs/dbraw/zinc/66/81/84/830668184.db2.gz UODXPYHUMCQLKY-ZJUUUORDSA-N -1 0 324.385 -0.365 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC001133767809 830823210 /nfs/dbraw/zinc/82/32/10/830823210.db2.gz GGZUKIFJJWWQLL-UHFFFAOYSA-N -1 0 316.325 -0.118 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC001134414759 830935421 /nfs/dbraw/zinc/93/54/21/830935421.db2.gz RBUYARSTGJIKNL-UHFFFAOYSA-N -1 0 320.280 -0.221 20 0 DBADRM O=C(NCCNCc1cnns1)c1c[n-]n2c1nccc2=O ZINC001134941890 830993565 /nfs/dbraw/zinc/99/35/65/830993565.db2.gz TWLWKMKPZSLJNO-UHFFFAOYSA-N -1 0 319.350 -0.606 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCCNS(C)(=O)=O)cc1=O ZINC001136710041 831165903 /nfs/dbraw/zinc/16/59/03/831165903.db2.gz FTHXYUILRDYEMZ-UHFFFAOYSA-N -1 0 318.399 -0.960 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)cc1=O ZINC001136977400 831167183 /nfs/dbraw/zinc/16/71/83/831167183.db2.gz IRKCHMUSPZHBQR-WPPNPWJKSA-N -1 0 307.310 -0.766 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)CCCc3nnn[n-]3)CCN2C1=O ZINC001137227058 831169062 /nfs/dbraw/zinc/16/90/62/831169062.db2.gz TZWIGUVSHZBPFQ-SECBINFHSA-N -1 0 321.341 -0.983 20 0 DBADRM C[C@]1(C(=O)NCc2nc(=O)o[n-]2)Oc2ccccc2NC1=O ZINC001137741148 831171443 /nfs/dbraw/zinc/17/14/43/831171443.db2.gz YDODJAUCPKVGAW-CYBMUJFWSA-N -1 0 304.262 -0.231 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)Nc3nncn3C)cc2=O)n1 ZINC001138135061 831173380 /nfs/dbraw/zinc/17/33/80/831173380.db2.gz IUCPQWUNZTYZQF-UHFFFAOYSA-N -1 0 314.309 -0.047 20 0 DBADRM Cc1nn(CC(=O)NCCc2nc(=O)o[n-]2)c2ncccc12 ZINC001139477822 831179801 /nfs/dbraw/zinc/17/98/01/831179801.db2.gz XTDBDPKLLRDMEL-UHFFFAOYSA-N -1 0 302.294 -0.225 20 0 DBADRM COCCO[N-]C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC001139846824 831183180 /nfs/dbraw/zinc/18/31/80/831183180.db2.gz LSRQNYYXGNXOOF-UHFFFAOYSA-N -1 0 306.315 -0.202 20 0 DBADRM CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](Cc1ccncc1O)C2 ZINC001140276721 831185144 /nfs/dbraw/zinc/18/51/44/831185144.db2.gz RELADMFMQJYJQF-OAHLLOKOSA-N -1 0 304.350 -0.290 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)Nn1c(=O)[n-][nH]c1=O ZINC001141573495 831193074 /nfs/dbraw/zinc/19/30/74/831193074.db2.gz BUNIOYKEUAUQSI-UHFFFAOYSA-N -1 0 306.354 -0.308 20 0 DBADRM O=C(Cn1cnnn1)Nc1nc[n-]c(=O)c1Br ZINC001142135440 831204739 /nfs/dbraw/zinc/20/47/39/831204739.db2.gz FOLXJCAWCFAHSG-UHFFFAOYSA-N -1 0 300.076 -0.430 20 0 DBADRM O=C([O-])C(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001143419017 831237061 /nfs/dbraw/zinc/23/70/61/831237061.db2.gz HWOMDZIULDLZAP-UHFFFAOYSA-N -1 0 317.305 -0.695 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](NC(=O)C(=O)[O-])CN1C(=O)OC(C)(C)C ZINC001143421355 831237071 /nfs/dbraw/zinc/23/70/71/831237071.db2.gz SFLJGBJYCVCUDH-SFYZADRCSA-N -1 0 316.310 -0.262 20 0 DBADRM COCCO[C@H]1CCN(C(=O)C(=O)[O-])[C@H]1Cc1cnn(C)c1 ZINC001143413484 831237132 /nfs/dbraw/zinc/23/71/32/831237132.db2.gz RXRYAEAAEMIURJ-RYUDHWBXSA-N -1 0 311.338 -0.320 20 0 DBADRM Cn1cccc1C(=O)N[C@H]1CN(C(=O)C(=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001143420791 831237350 /nfs/dbraw/zinc/23/73/50/831237350.db2.gz XSPIESBLENDXBE-HOSYDEDBSA-N -1 0 321.333 -0.402 20 0 DBADRM O=C([O-])C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001143412830 831237374 /nfs/dbraw/zinc/23/73/74/831237374.db2.gz BNBKYHCQXONHQE-PHIMTYICSA-N -1 0 302.286 -0.285 20 0 DBADRM COc1cc(C[C@@H](O)C(=O)NCc2n[nH]c(=O)[n-]2)ccc1O ZINC001143603215 831240704 /nfs/dbraw/zinc/24/07/04/831240704.db2.gz RZMABZHZFIGNRS-SECBINFHSA-N -1 0 308.294 -0.556 20 0 DBADRM Cn1nnc2c1CC[C@@H](NC(=O)c1c[n-]n3c1nccc3=O)C2 ZINC001143659837 831241580 /nfs/dbraw/zinc/24/15/80/831241580.db2.gz CSGNCDYOHZUDSI-MRVPVSSYSA-N -1 0 313.321 -0.562 20 0 DBADRM C[C@H]1[C@H](NC(=O)CCC(=O)C2CC2)C(=O)N1S(=O)(=O)[O-] ZINC001144229515 831249617 /nfs/dbraw/zinc/24/96/17/831249617.db2.gz XUIBJEKXONSNDG-WKEGUHRASA-N -1 0 304.324 -0.736 20 0 DBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]CCC(N)=O)nc1C ZINC001184975646 833776631 /nfs/dbraw/zinc/77/66/31/833776631.db2.gz YVRGANMXGLIMPD-UHFFFAOYSA-N -1 0 321.380 -0.218 20 0 DBADRM O=C(NCC[NH2+]Cc1n[nH]c(=O)[n-]1)c1cnn2c1CCCC2 ZINC001146783963 831297417 /nfs/dbraw/zinc/29/74/17/831297417.db2.gz ZVYYHSGXDSVNOZ-UHFFFAOYSA-N -1 0 305.342 -0.437 20 0 DBADRM CO[C@@H](CC(=O)NCC[NH2+]Cc1n[nH]c(=O)[n-]1)C(F)(F)F ZINC001146938010 831312838 /nfs/dbraw/zinc/31/28/38/831312838.db2.gz GSJIMIBVDMWLET-LURJTMIESA-N -1 0 311.264 -0.317 20 0 DBADRM O=C(NCC[NH2+]Cc1n[nH]c(=O)[n-]1)c1cnn(CC2CC2)c1 ZINC001146938098 831312929 /nfs/dbraw/zinc/31/29/29/831312929.db2.gz JSJORTRTIVBQCX-UHFFFAOYSA-N -1 0 305.342 -0.364 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1ccc(=O)[nH]n1 ZINC001146983241 831316646 /nfs/dbraw/zinc/31/66/46/831316646.db2.gz KOSDSIMZCIFBKY-UHFFFAOYSA-N -1 0 320.286 -0.133 20 0 DBADRM CCOCCC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001147182285 831346594 /nfs/dbraw/zinc/34/65/94/831346594.db2.gz SAKWMALDYYZKKX-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM O=C(NCCCC[P@](=O)([O-])O)c1cc2n(n1)CCNC2=O ZINC001147550546 831382035 /nfs/dbraw/zinc/38/20/35/831382035.db2.gz HNWJWVXIZXQORR-UHFFFAOYSA-N -1 0 316.254 -0.686 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2ccc[nH]c2=S)C(=O)N1S(=O)(=O)[O-] ZINC001147680801 831395677 /nfs/dbraw/zinc/39/56/77/831395677.db2.gz QXHJXCVUWSLVQG-FSPLSTOPSA-N -1 0 317.348 -0.498 20 0 DBADRM Cn1ccc(C(=O)N2CCC3(CNC(=O)N3)CC2)c1CC(=O)[O-] ZINC001177364802 833465316 /nfs/dbraw/zinc/46/53/16/833465316.db2.gz JNCWFKFCRZPCSO-UHFFFAOYSA-N -1 0 320.349 -0.060 20 0 DBADRM O=C(NCc1nnn[n-]1)C1=CN2C(=CC=C[C@H]2C(F)(F)F)N1 ZINC001148011437 831422680 /nfs/dbraw/zinc/42/26/80/831422680.db2.gz GKGXEPWTNFJLAA-ZETCQYMHSA-N -1 0 313.243 -0.095 20 0 DBADRM Cn1ccc(C(=O)Nc2c(N)[nH]c(=O)[nH]c2=O)c1CC(=O)[O-] ZINC001177363336 833464821 /nfs/dbraw/zinc/46/48/21/833464821.db2.gz JIORUENXJYXAHN-UHFFFAOYSA-N -1 0 307.266 -0.312 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccn(C)c2CC(=O)[O-])CCN1C ZINC001177364648 833465107 /nfs/dbraw/zinc/46/51/07/833465107.db2.gz DTBFPSZONQTNQJ-LBPRGKRZSA-N -1 0 323.349 -0.419 20 0 DBADRM CCNC(=O)CN(C)C(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148914717 831477879 /nfs/dbraw/zinc/47/78/79/831477879.db2.gz CRSQQBKDBLCWKS-UHFFFAOYSA-N -1 0 316.335 -0.153 20 0 DBADRM O=C(NC[C@H]1CNC(=O)C1)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148927257 831478891 /nfs/dbraw/zinc/47/88/91/831478891.db2.gz JYJCPWYJUJDDFM-SSDOTTSWSA-N -1 0 314.319 -0.495 20 0 DBADRM NC(=O)C1(NC(=O)c2cc(S(=O)(=O)[O-])ccc2O)CC1 ZINC001148926633 831479220 /nfs/dbraw/zinc/47/92/20/831479220.db2.gz RYIUOLXKIZGBAP-UHFFFAOYSA-N -1 0 300.292 -0.613 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001149309436 831516732 /nfs/dbraw/zinc/51/67/32/831516732.db2.gz GBSAVAUBNBPFOZ-VHSXEESVSA-N -1 0 313.358 -0.748 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)C1=CNN2C=CNC=C12 ZINC001149461402 831536538 /nfs/dbraw/zinc/53/65/38/831536538.db2.gz ZGQLJZYCLVQULS-VIFPVBQESA-N -1 0 308.294 -0.871 20 0 DBADRM Cc1nnc2ccc(C(=O)N3CCOC[C@H]3c3nnn[n-]3)cn12 ZINC001150803394 831647347 /nfs/dbraw/zinc/64/73/47/831647347.db2.gz OYSHNINALAQORX-JTQLQIEISA-N -1 0 314.309 -0.235 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1cnccn1 ZINC001151620440 831696342 /nfs/dbraw/zinc/69/63/42/831696342.db2.gz HMVDTANCXCHYSZ-SECBINFHSA-N -1 0 305.342 -0.059 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1ccn(CCn2cccn2)n1 ZINC001151977346 831718558 /nfs/dbraw/zinc/71/85/58/831718558.db2.gz GCUDJUMYVZFUPZ-UHFFFAOYSA-N -1 0 303.282 -0.614 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1[nH]nc2c1COCC2 ZINC001152011579 831719444 /nfs/dbraw/zinc/71/94/44/831719444.db2.gz JOSBJHGHJUPHKO-VIFPVBQESA-N -1 0 311.294 -0.381 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001152405934 831747836 /nfs/dbraw/zinc/74/78/36/831747836.db2.gz HYCIUKLSHNQQHF-RKDXNWHRSA-N -1 0 310.358 -0.885 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001152486451 831754129 /nfs/dbraw/zinc/75/41/29/831754129.db2.gz UGYOOQUQPBJDDR-UHFFFAOYSA-N -1 0 313.325 -0.104 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)c1cnc2n(c1=O)CCS2 ZINC001152509621 831758001 /nfs/dbraw/zinc/75/80/01/831758001.db2.gz BGMRTLIZYJKBIN-UHFFFAOYSA-N -1 0 311.319 -0.487 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cc3ccncc3[nH]2)C(=O)N1S(=O)(=O)[O-] ZINC001152587389 831762781 /nfs/dbraw/zinc/76/27/81/831762781.db2.gz DVYSRRJMYZWTKG-WKEGUHRASA-N -1 0 324.318 -0.305 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccc2ncnn2c1 ZINC001152861279 831779326 /nfs/dbraw/zinc/77/93/26/831779326.db2.gz JAWNMUWPVHELIK-VIFPVBQESA-N -1 0 306.278 -0.135 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)CO[C@@H]2CCOC2)ccc1[O-] ZINC001153033320 831788087 /nfs/dbraw/zinc/78/80/87/831788087.db2.gz QRYUBHMHFAXBPC-SECBINFHSA-N -1 0 316.335 -0.216 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2ncn3ccccc23)C(=O)N1S(=O)(=O)[O-] ZINC001153044198 831788185 /nfs/dbraw/zinc/78/81/85/831788185.db2.gz FYJNSFUOPDVPLC-CBAPKCEASA-N -1 0 324.318 -0.534 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1c[n-]c2cccnc2c1=O)[C@@H](C)O ZINC001153860053 831841133 /nfs/dbraw/zinc/84/11/33/831841133.db2.gz INCZUXLPLKHIRC-XCBNKYQSSA-N -1 0 305.290 -0.425 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2c[n-]c3cccnc3c2=O)CCO1 ZINC001153855508 831841621 /nfs/dbraw/zinc/84/16/21/831841621.db2.gz DXIFBWQXPXDKGL-JTQLQIEISA-N -1 0 302.290 -0.751 20 0 DBADRM O=C(NCCN1CC2(COC2)C1)c1c[n-]c2cccnc2c1=O ZINC001153861814 831841748 /nfs/dbraw/zinc/84/17/48/831841748.db2.gz JUKSLXCNEZHSJN-UHFFFAOYSA-N -1 0 314.345 -0.015 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cnc2cccnc2c1O ZINC001153859906 831842024 /nfs/dbraw/zinc/84/20/24/831842024.db2.gz AURKSCPHTMUGID-LLVKDONJSA-N -1 0 304.287 -0.038 20 0 DBADRM N=C(NC(=O)c1cc2n(n1)CCO2)SCCS(=O)(=O)[O-] ZINC001153889660 831846139 /nfs/dbraw/zinc/84/61/39/831846139.db2.gz NKQOTXQJBPNIRJ-UHFFFAOYSA-N -1 0 320.352 -0.439 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccnc(F)c1 ZINC001154153963 831864888 /nfs/dbraw/zinc/86/48/88/831864888.db2.gz AROQXKWARBDHPI-UHFFFAOYSA-N -1 0 303.315 -0.655 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)c(=O)c2cccn21 ZINC001154653657 831893538 /nfs/dbraw/zinc/89/35/38/831893538.db2.gz CVSCBPPFYRVMMT-LLVKDONJSA-N -1 0 306.303 -0.323 20 0 DBADRM CC(C)(C)OC(=O)Cn1cccc(C(=O)[N-]OCCO)c1=O ZINC001154856174 831902627 /nfs/dbraw/zinc/90/26/27/831902627.db2.gz TUKWZEWNFBAGEU-UHFFFAOYSA-N -1 0 312.322 -0.156 20 0 DBADRM COC[C@H](NC(=O)COc1cccc(C=O)c1)c1nnn[n-]1 ZINC001155067731 831914860 /nfs/dbraw/zinc/91/48/60/831914860.db2.gz BIVJDDQOFBVGCD-NSHDSACASA-N -1 0 305.294 -0.105 20 0 DBADRM O=C(C[C@H]1CC(=O)NC1=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001155135020 831918615 /nfs/dbraw/zinc/91/86/15/831918615.db2.gz QCHZKVNCQIQOIG-DTWKUNHWSA-N -1 0 306.326 -0.966 20 0 DBADRM CN1CCO[C@H](C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC001155755647 831951010 /nfs/dbraw/zinc/95/10/10/831951010.db2.gz RYRVIKJTRRQNJP-BDAKNGLRSA-N -1 0 309.326 -0.927 20 0 DBADRM NC(=O)[C@H]1CCCN1c1cc(N[C@H]2SC(=O)[N-]C2=O)ncn1 ZINC001155844564 831955385 /nfs/dbraw/zinc/95/53/85/831955385.db2.gz OTOOSDRSFVNHIM-KBUNVGBDSA-N -1 0 322.350 -0.348 20 0 DBADRM CN1CCN(c2ccc(N[C@H]3SC(=O)[N-]C3=O)nn2)CC1 ZINC001155837301 831955637 /nfs/dbraw/zinc/95/56/37/831955637.db2.gz LKFGPKPZRQLNHJ-NSHDSACASA-N -1 0 308.367 -0.051 20 0 DBADRM Cc1nccn2c(C(=O)n3[n-]c4ccnc(=O)c-4c3N)nnc12 ZINC001156420229 831983792 /nfs/dbraw/zinc/98/37/92/831983792.db2.gz DVNACISQWLNJKX-UHFFFAOYSA-N -1 0 310.277 -0.307 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N[C@@H]2CCN(C)C2=O)nc1 ZINC001156508129 831986755 /nfs/dbraw/zinc/98/67/55/831986755.db2.gz LRSIOABFHARDGL-SNVBAGLBSA-N -1 0 312.351 -0.451 20 0 DBADRM CCOC(=O)c1cnc([S@](C)=O)nc1N[C@@H]1CO[N-]C1=O ZINC001156694659 831994613 /nfs/dbraw/zinc/99/46/13/831994613.db2.gz HMXKBARUGYPQGO-QFWYVNQISA-N -1 0 314.323 -0.767 20 0 DBADRM Cn1cnc2c1nc(N[C@@H]1CO[N-]C1=O)nc2N1CCOCC1 ZINC001156691351 831994680 /nfs/dbraw/zinc/99/46/80/831994680.db2.gz OSIXXZRYOKDYHV-MRVPVSSYSA-N -1 0 319.325 -0.958 20 0 DBADRM O=C1[N-]OC[C@H]1Nc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC001156696891 831995409 /nfs/dbraw/zinc/99/54/09/831995409.db2.gz LMZYDFUMZFPQQW-SNVBAGLBSA-N -1 0 312.351 -0.292 20 0 DBADRM COc1nc(Cl)nc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157067641 832018821 /nfs/dbraw/zinc/01/88/21/832018821.db2.gz KZHDWTFBWQORHM-IMJSIDKUSA-N -1 0 323.718 -0.652 20 0 DBADRM COc1ncnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1C ZINC001157071432 832018987 /nfs/dbraw/zinc/01/89/87/832018987.db2.gz SZJLZXAZSLFAKK-BQBZGAKWSA-N -1 0 302.312 -0.392 20 0 DBADRM C[C@H]1[C@H](Nc2cc3c(nn2)CCOC3)C(=O)N1S(=O)(=O)[O-] ZINC001157072785 832019030 /nfs/dbraw/zinc/01/90/30/832019030.db2.gz OOXKZNLWKOZVJM-WKEGUHRASA-N -1 0 314.323 -0.637 20 0 DBADRM CCOc1nccnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001157072427 832019192 /nfs/dbraw/zinc/01/91/92/832019192.db2.gz DYXJNFYQODCNNN-BQBZGAKWSA-N -1 0 302.312 -0.311 20 0 DBADRM N=C(Nc1cncc(C(N)=O)n1)SCCS(=O)(=O)[O-] ZINC001157322704 832033331 /nfs/dbraw/zinc/03/33/31/832033331.db2.gz TZJUPBLADHPHDS-UHFFFAOYSA-N -1 0 305.341 -0.457 20 0 DBADRM C[NH+]1CCN(c2ccc(NCCOP(=O)([O-])[O-])nn2)CC1 ZINC001157788063 832063729 /nfs/dbraw/zinc/06/37/29/832063729.db2.gz YVNYFZDBMFHWQX-UHFFFAOYSA-N -1 0 317.286 -0.250 20 0 DBADRM O=C(NCCn1cnnc1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001158529336 832119839 /nfs/dbraw/zinc/11/98/39/832119839.db2.gz GCMLKGGZXZDBBL-UHFFFAOYSA-N -1 0 301.266 -0.543 20 0 DBADRM C[C@@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CCCO1 ZINC001185653830 833803656 /nfs/dbraw/zinc/80/36/56/833803656.db2.gz JWBGUZBLMAEQHN-MRVPVSSYSA-N -1 0 308.275 -0.827 20 0 DBADRM Cc1ncc(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])s1 ZINC001185653137 833803799 /nfs/dbraw/zinc/80/37/99/833803799.db2.gz CNGPCSKLBFHLBK-UHFFFAOYSA-N -1 0 321.299 -0.383 20 0 DBADRM CN(CC(=O)Nc1cccnc1F)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653141 833803882 /nfs/dbraw/zinc/80/38/82/833803882.db2.gz CVQXTJCWHZRZGN-UHFFFAOYSA-N -1 0 305.206 -0.292 20 0 DBADRM CN(CC(=O)N1C[C@@H]2C[C@@H]2[C@@H](F)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185652648 833804195 /nfs/dbraw/zinc/80/41/95/833804195.db2.gz AAFWVHPHADSPJJ-FXQIFTODSA-N -1 0 308.250 -0.648 20 0 DBADRM CN(CC(=O)N1CCC2(CCC2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657331 833805126 /nfs/dbraw/zinc/80/51/26/833805126.db2.gz UCZIQSHOEHOFSP-UHFFFAOYSA-N -1 0 304.287 -0.062 20 0 DBADRM CN(CC(=O)NCc1cccc(F)n1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664213 833805363 /nfs/dbraw/zinc/80/53/63/833805363.db2.gz SHPLQUIFRRACGH-UHFFFAOYSA-N -1 0 319.233 -0.614 20 0 DBADRM CN(CC(=O)NCc1ccncc1F)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664146 833805785 /nfs/dbraw/zinc/80/57/85/833805785.db2.gz QNDXEQVHTNBDPE-UHFFFAOYSA-N -1 0 319.233 -0.614 20 0 DBADRM COC(=O)[C@H]1CCN(CC(=O)n2[n-]c3ccnc(=O)c-3c2N)C1 ZINC001186116215 833833392 /nfs/dbraw/zinc/83/33/92/833833392.db2.gz BTJKFCAWXOSCOA-QMMMGPOBSA-N -1 0 319.321 -0.607 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC2(O)COC2)ccc1F ZINC001186201709 833837514 /nfs/dbraw/zinc/83/75/14/833837514.db2.gz HSRHQFCAEDDASL-UHFFFAOYSA-N -1 0 305.283 -0.437 20 0 DBADRM CC(=O)[C@@H](C)N1CC[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269576503 832450817 /nfs/dbraw/zinc/45/08/17/832450817.db2.gz NMQOWVZPXQWXME-OTYXRUKQSA-N -1 0 320.353 -0.829 20 0 DBADRM CC(C)CN1C[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269577912 832452124 /nfs/dbraw/zinc/45/21/24/832452124.db2.gz PUJUGYHVDCQRTH-CQSZACIVSA-N -1 0 322.369 -0.772 20 0 DBADRM CC(C)NC(=O)N1CC2(C1)CCN(C(=O)Cc1nnn[n-]1)CC2 ZINC001270182382 832509949 /nfs/dbraw/zinc/50/99/49/832509949.db2.gz DEXBGYMDSJLTEA-UHFFFAOYSA-N -1 0 321.385 -0.215 20 0 DBADRM O=C(Cc1nnn[n-]1)N1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC001270183172 832510233 /nfs/dbraw/zinc/51/02/33/832510233.db2.gz RJJVDXVMOYYBQU-PHIMTYICSA-N -1 0 302.342 -0.659 20 0 DBADRM CN1C[C@@]2(CCN(C(=O)C[N-]C(=O)C(F)(F)F)C2)OCC1=O ZINC001270669162 832563698 /nfs/dbraw/zinc/56/36/98/832563698.db2.gz GGEIXPCUPYDXNN-LLVKDONJSA-N -1 0 323.271 -0.875 20 0 DBADRM CSCC(=O)N1CCn2c(nnc2C(=O)Nc2nnco2)C1 ZINC001270773008 832575959 /nfs/dbraw/zinc/57/59/59/832575959.db2.gz ORLYMHHDZOAVGT-UHFFFAOYSA-N -1 0 323.338 -0.381 20 0 DBADRM CC(C)(C)NC(=O)[C@@H]1CCC2(CN(C(=O)Cc3nnn[n-]3)C2)O1 ZINC001270783990 832577061 /nfs/dbraw/zinc/57/70/61/832577061.db2.gz BMNMFQUSWKSDKO-VIFPVBQESA-N -1 0 322.369 -0.583 20 0 DBADRM Cn1ccnc1NC(=O)C12CC(NC(=O)Cc3nnn[n-]3)(C1)C2 ZINC001270784629 832578107 /nfs/dbraw/zinc/57/81/07/832578107.db2.gz LOCVYLDSITYOME-UHFFFAOYSA-N -1 0 316.325 -0.847 20 0 DBADRM O=C(Cc1nnn[n-]1)NC12CC(C(=O)Nc3cn[nH]c3)(C1)C2 ZINC001270784617 832578424 /nfs/dbraw/zinc/57/84/24/832578424.db2.gz LHZFONKCKIQQMO-UHFFFAOYSA-N -1 0 302.298 -0.857 20 0 DBADRM CN(C)C(=O)[C@@H]1CCC[C@@]12CCN(C(=O)Cc1nnn[n-]1)C2 ZINC001270789168 832578791 /nfs/dbraw/zinc/57/87/91/832578791.db2.gz OAHLFCGXEDAIJX-HZMBPMFUSA-N -1 0 306.370 -0.151 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@@H]2C[C@@]21C(=O)N1CCCCO1 ZINC001270789515 832578997 /nfs/dbraw/zinc/57/89/97/832578997.db2.gz RWJUZWRHYDNSNH-RNCFNFMXSA-N -1 0 306.326 -0.713 20 0 DBADRM C[C@@H]1c2nc(C(=O)N(C)C)cn2CCN1C(=O)Cc1nnn[n-]1 ZINC001270789162 832579003 /nfs/dbraw/zinc/57/90/03/832579003.db2.gz NVFCHUUOLKTDMQ-MRVPVSSYSA-N -1 0 318.341 -0.756 20 0 DBADRM CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1CN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270938499 832598597 /nfs/dbraw/zinc/59/85/97/832598597.db2.gz FJOYJHGUYDYZBK-DOFRTFSJSA-N -1 0 324.410 -0.465 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@H]2C[C@]21C(=O)N1CC=CC1 ZINC001270939236 832598669 /nfs/dbraw/zinc/59/86/69/832598669.db2.gz SMCTZMPYVLXUFU-TVQRCGJNSA-N -1 0 320.378 -0.649 20 0 DBADRM CCOCCS(=O)(=O)[N-]c1c(CC)n(C)nc1C(N)=O ZINC001187256865 833913216 /nfs/dbraw/zinc/91/32/16/833913216.db2.gz NMKFPWFRQWQYPW-UHFFFAOYSA-N -1 0 304.372 -0.140 20 0 DBADRM CC/C=C(\C)C(=O)NC[C@@]1(O)CCN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001271118297 832622114 /nfs/dbraw/zinc/62/21/14/832622114.db2.gz AWBMURXAXWJMIL-RILDOFPPSA-N -1 0 323.397 -0.482 20 0 DBADRM CC/C=C(/C)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001271122137 832623908 /nfs/dbraw/zinc/62/39/08/832623908.db2.gz XCGVQTGSSOUYLK-PXTDYPQFSA-N -1 0 309.370 -0.080 20 0 DBADRM O=C(c1ccncc1[O-])N1CC2(C1)CN(C1COC1)C(=O)CO2 ZINC001271402663 832664361 /nfs/dbraw/zinc/66/43/61/832664361.db2.gz PIYCBIIHUUMSMQ-UHFFFAOYSA-N -1 0 319.317 -0.761 20 0 DBADRM CN1C[C@]2(CC1=O)CCCCN2C(=O)c1c[nH]c(=O)c(=O)[n-]1 ZINC001271609618 832687247 /nfs/dbraw/zinc/68/72/47/832687247.db2.gz SUGDQSRMUACMCH-CQSZACIVSA-N -1 0 306.322 -0.710 20 0 DBADRM CNC(=O)c1cccnc1[N-]S(=O)(=O)CCC(=O)OC ZINC001188360748 833978615 /nfs/dbraw/zinc/97/86/15/833978615.db2.gz YLUQVWIEUDLJAT-UHFFFAOYSA-N -1 0 301.324 -0.254 20 0 DBADRM CCCCN1CC2(CN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O ZINC001272282577 832767258 /nfs/dbraw/zinc/76/72/58/832767258.db2.gz HJHVINRYOXGKJB-UHFFFAOYSA-N -1 0 308.338 -0.031 20 0 DBADRM Cc1cc(C(=O)N[C@@H](C)CC[NH2+]Cc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001272672701 832817853 /nfs/dbraw/zinc/81/78/53/832817853.db2.gz PMOQXHZZOOGVNZ-QMMMGPOBSA-N -1 0 307.358 -0.150 20 0 DBADRM [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1CC[C@]2(C1)CC(F)(F)CO2 ZINC001160770840 832941439 /nfs/dbraw/zinc/94/14/39/832941439.db2.gz XBHMWGIANCPEID-OIBJUYFYSA-N -1 0 302.285 -0.904 20 0 DBADRM CN(CCO)C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001161115019 832979736 /nfs/dbraw/zinc/97/97/36/832979736.db2.gz OEWKDUMYXVSZPS-UHFFFAOYSA-N -1 0 308.743 -0.243 20 0 DBADRM O=C(COc1ncc(Br)cn1)NCc1nnn[n-]1 ZINC001177578834 833474668 /nfs/dbraw/zinc/47/46/68/833474668.db2.gz FQRLIILSHYAVHO-UHFFFAOYSA-N -1 0 314.103 -0.553 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1ccc2c(c1)C(=O)NCCO2 ZINC001177736071 833480452 /nfs/dbraw/zinc/48/04/52/833480452.db2.gz XPEQNWWHANXIGC-UHFFFAOYSA-N -1 0 320.334 -0.277 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1cccnc1OC1COC1 ZINC001177735874 833480601 /nfs/dbraw/zinc/48/06/01/833480601.db2.gz RPFZWMHBQGSBDE-UHFFFAOYSA-N -1 0 308.323 -0.227 20 0 DBADRM C[C@@H]1CN(C2CN(C(=O)Cn3nn[n-]c3=S)C2)C[C@@H](C)O1 ZINC001177738110 833480658 /nfs/dbraw/zinc/48/06/58/833480658.db2.gz BBYLLYGYVNMNPZ-RKDXNWHRSA-N -1 0 312.399 -0.718 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1nc(Cl)nc2[nH]cnc21 ZINC001177735583 833480708 /nfs/dbraw/zinc/48/07/08/833480708.db2.gz KBNMMLSPEFEXJF-UHFFFAOYSA-N -1 0 311.718 -0.080 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1ccc2c(c1)OCC(=O)N2 ZINC001177739125 833481085 /nfs/dbraw/zinc/48/10/85/833481085.db2.gz MGKGHWRAWACUHM-UHFFFAOYSA-N -1 0 306.307 -0.069 20 0 DBADRM C[C@H](NC(=O)Cn1nn[n-]c1=S)[C@H](O)c1cccc(O)c1 ZINC001177743590 833481575 /nfs/dbraw/zinc/48/15/75/833481575.db2.gz OUXZTTMOTXUYFO-CPCISQLKSA-N -1 0 309.351 -0.094 20 0 DBADRM COc1cc(C)[nH]c(=O)c1CNC(=O)Cn1nn[n-]c1=S ZINC001177743864 833481710 /nfs/dbraw/zinc/48/17/10/833481710.db2.gz QDIZQQVEYRWKJA-UHFFFAOYSA-N -1 0 310.339 -0.304 20 0 DBADRM COC[C@H](NC(=O)c1cn2nccc2nc1C)c1nnn[n-]1 ZINC001177829042 833483320 /nfs/dbraw/zinc/48/33/20/833483320.db2.gz UOBQEUMDLXKSQX-VIFPVBQESA-N -1 0 302.298 -0.332 20 0 DBADRM Cn1cc(C(=O)C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)cn1 ZINC001177866295 833484494 /nfs/dbraw/zinc/48/44/94/833484494.db2.gz JNTWSVDBUHDTKQ-VIFPVBQESA-N -1 0 303.326 -0.403 20 0 DBADRM O=C([O-])CN1CCCn2nc(C(=O)Nc3c[nH]cn3)cc2C1=O ZINC001178365833 833503095 /nfs/dbraw/zinc/50/30/95/833503095.db2.gz JTFBIQCWKFPKQQ-UHFFFAOYSA-N -1 0 318.293 -0.211 20 0 DBADRM C[C@H]1[C@H](NC(=O)CCc2cnoc2)C(=O)N1S(=O)(=O)[O-] ZINC001178408399 833505890 /nfs/dbraw/zinc/50/58/90/833505890.db2.gz YGQRBVZKMTWACK-RCOVLWMOSA-N -1 0 303.296 -0.875 20 0 DBADRM CCOC(=O)N(CC(=O)N[C@@H]1CO[N-]C1=O)Cc1ccco1 ZINC001178472095 833508051 /nfs/dbraw/zinc/50/80/51/833508051.db2.gz SNVJNNFAVGXZDQ-SNVBAGLBSA-N -1 0 311.294 -0.216 20 0 DBADRM COc1cccc(N2C[C@@H](C(=O)NCc3nnn[n-]3)CC2=O)c1 ZINC001178633158 833517951 /nfs/dbraw/zinc/51/79/51/833517951.db2.gz ODHRYYJNKOVRFC-VIFPVBQESA-N -1 0 316.321 -0.122 20 0 DBADRM Nc1n[nH]c(CC(=O)Nc2ncc(Br)[nH]c2=O)n1 ZINC001180251939 833575645 /nfs/dbraw/zinc/57/56/45/833575645.db2.gz UKRRCGIEACCSIA-UHFFFAOYSA-N -1 0 314.103 -0.586 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)N[C@@H]1SC(=O)[N-]C1=O ZINC001180498737 833587783 /nfs/dbraw/zinc/58/77/83/833587783.db2.gz NHMWETYVSQKUBP-SNVBAGLBSA-N -1 0 301.324 -0.949 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001180685559 833597518 /nfs/dbraw/zinc/59/75/18/833597518.db2.gz YAEBRTOYSMGFCC-QWRGUYRKSA-N -1 0 314.338 -0.233 20 0 DBADRM CS(=O)(=O)Oc1ccc(CC(=O)NCS(=O)(=O)[O-])cc1 ZINC001180867537 833606974 /nfs/dbraw/zinc/60/69/74/833606974.db2.gz LAKKKAUEXFABDH-UHFFFAOYSA-N -1 0 323.348 -0.471 20 0 DBADRM COCCN1C[C@H](C(=O)n2[n-]c3ccnc(=O)c-3c2N)CC1=O ZINC001180894288 833608932 /nfs/dbraw/zinc/60/89/32/833608932.db2.gz AOHCSPTVOJIINC-MRVPVSSYSA-N -1 0 319.321 -0.607 20 0 DBADRM N=C(NC(=O)C1CC2(C1)OCCO2)SCCS(=O)(=O)[O-] ZINC001181513071 833633701 /nfs/dbraw/zinc/63/37/01/833633701.db2.gz IJOAHWJTTGEUDJ-UHFFFAOYSA-N -1 0 324.380 -0.189 20 0 DBADRM CC(C)(C)OC(=O)NC1(C(=O)NCc2n[nH]c(=O)[n-]2)COC1 ZINC001181517885 833633782 /nfs/dbraw/zinc/63/37/82/833633782.db2.gz XYORUKXPCCATPM-UHFFFAOYSA-N -1 0 313.314 -0.580 20 0 DBADRM O=C(CC1CCS(=O)(=O)CC1)N[C@H]1SC(=O)[N-]C1=O ZINC001181544857 833634873 /nfs/dbraw/zinc/63/48/73/833634873.db2.gz BGWCSNRAETXYBG-VIFPVBQESA-N -1 0 306.365 -0.373 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@H]1CN(Cc2ccccc2)CC1=O ZINC001181562863 833635566 /nfs/dbraw/zinc/63/55/66/833635566.db2.gz AFTRPMDDUSGEQF-LLVKDONJSA-N -1 0 300.322 -0.483 20 0 DBADRM O=C(NCS(=O)(=O)[O-])[C@H]1CN(Cc2ccccc2)CC1=O ZINC001181571097 833636396 /nfs/dbraw/zinc/63/63/96/833636396.db2.gz GJKVGEPNVCKTOB-NSHDSACASA-N -1 0 312.347 -0.351 20 0 DBADRM N=C(NC(=O)c1ccc(=O)[nH]n1)SCCS(=O)(=O)[O-] ZINC001181703169 833640609 /nfs/dbraw/zinc/64/06/09/833640609.db2.gz FMGKVOUOKQIGHP-RXMQYKEDSA-N -1 0 306.325 -0.424 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CCOC(C)(C)C2)C(=O)N1S(=O)(=O)[O-] ZINC001182024434 833651479 /nfs/dbraw/zinc/65/14/79/833651479.db2.gz BBNKERUQOKBHBH-YIZRAAEISA-N -1 0 320.367 -0.290 20 0 DBADRM C[C@@H]1C(=O)OC[C@H]1C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001182086419 833656081 /nfs/dbraw/zinc/65/60/81/833656081.db2.gz KSSJFQOCOKWAME-IMTBSYHQSA-N -1 0 324.314 -0.134 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H]1NC(=O)c2ccccc21 ZINC001182430416 833674934 /nfs/dbraw/zinc/67/49/34/833674934.db2.gz FVVCKBNVPUBEJQ-JQWIXIFHSA-N -1 0 320.301 -0.006 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@H]2C[C@]23CCCOC3)C(=O)N1S(=O)(=O)[O-] ZINC001183734906 833734940 /nfs/dbraw/zinc/73/49/40/833734940.db2.gz LBZDYNQDWYMAJO-NHRVJRKFSA-N -1 0 318.351 -0.679 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183908036 833741164 /nfs/dbraw/zinc/74/11/64/833741164.db2.gz ZGYJRANHXAOFKZ-JTQLQIEISA-N -1 0 322.317 -0.124 20 0 DBADRM CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H]1CO[N-]C1=O ZINC001184180754 833751796 /nfs/dbraw/zinc/75/17/96/833751796.db2.gz MTOPLVPPIBWMQK-SFYZADRCSA-N -1 0 303.315 -0.928 20 0 DBADRM COc1cc(CC(=O)C(=O)N[C@H]2SC(=O)[N-]C2=O)ccc1O ZINC001184256082 833754486 /nfs/dbraw/zinc/75/44/86/833754486.db2.gz VCYOJYFJLQQAFE-LBPRGKRZSA-N -1 0 324.314 -0.062 20 0 DBADRM COCCC1(C(=O)NCc2nnn[n-]2)CCS(=O)(=O)CC1 ZINC001184559464 833763962 /nfs/dbraw/zinc/76/39/62/833763962.db2.gz KGJGNCVLQXLXMZ-UHFFFAOYSA-N -1 0 317.371 -0.953 20 0 DBADRM CN(Cc1ccccc1)[C@@H](CO)C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001185235798 833784249 /nfs/dbraw/zinc/78/42/49/833784249.db2.gz RHLCFULZMUWYMH-GWCFXTLKSA-N -1 0 323.374 -0.095 20 0 DBADRM N[C@@H]1NCN(C(=O)C=C([O-])c2ccccc2Cl)[C@H]2NCN[C@@H]21 ZINC001185444129 833795017 /nfs/dbraw/zinc/79/50/17/833795017.db2.gz OTXYNSZJHAJDLK-MGPQQGTHSA-N -1 0 323.784 -0.568 20 0 DBADRM Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)n1 ZINC001185566510 833798515 /nfs/dbraw/zinc/79/85/15/833798515.db2.gz OLCBWQXWNSYCOD-UHFFFAOYSA-N -1 0 306.311 -0.204 20 0 DBADRM Cc1cc(NCCNS(=O)(=O)c2ncc[n-]2)n2ncnc2n1 ZINC001186116684 833833748 /nfs/dbraw/zinc/83/37/48/833833748.db2.gz LHLYFKZJFBMQGV-UHFFFAOYSA-N -1 0 322.354 -0.454 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001186764360 833875586 /nfs/dbraw/zinc/87/55/86/833875586.db2.gz QVPQIAVERMTRBI-INTQDDNPSA-N -1 0 322.369 -0.932 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@H]2CCC(=O)N(C)C2=O)cc1=O ZINC001276754561 833895310 /nfs/dbraw/zinc/89/53/10/833895310.db2.gz RBAYFSWUOWDLEP-NSHDSACASA-N -1 0 322.365 -0.362 20 0 DBADRM C[C@H]1[C@H](NC(=O)NCC(F)(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001187102631 833902930 /nfs/dbraw/zinc/90/29/30/833902930.db2.gz PAEXZCWUOFERJO-IMJSIDKUSA-N -1 0 305.234 -0.750 20 0 DBADRM NC(=O)C1=NO[C@@H]2CN(C(=O)c3ccc(F)c(F)c3[O-])C[C@H]12 ZINC001276858514 833905604 /nfs/dbraw/zinc/90/56/04/833905604.db2.gz JIZWHCUFNVZVNB-POYBYMJQSA-N -1 0 311.244 -0.018 20 0 DBADRM COc1cccc(OC)c1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001187492962 833928454 /nfs/dbraw/zinc/92/84/54/833928454.db2.gz VUZQGCYXUWVAHW-UHFFFAOYSA-N -1 0 321.293 -0.218 20 0 DBADRM COc1cccc(OC)c1NC(=O)C(=O)NCS(=O)(=O)[O-] ZINC001187491956 833928907 /nfs/dbraw/zinc/92/89/07/833928907.db2.gz IWFRFDDPJCUFMD-UHFFFAOYSA-N -1 0 318.307 -0.396 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001277167225 833930204 /nfs/dbraw/zinc/93/02/04/833930204.db2.gz MWDXMANVTQLJIY-UHFFFAOYSA-N -1 0 308.367 -0.361 20 0 DBADRM COCCOCN1CC2(C1)CN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001277167406 833930556 /nfs/dbraw/zinc/93/05/56/833930556.db2.gz USZDLVNYZGUWIQ-UHFFFAOYSA-N -1 0 316.383 -0.664 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N[C@@H]1CO[N-]C1=O ZINC001187603028 833936647 /nfs/dbraw/zinc/93/66/47/833936647.db2.gz NYTQTBKLTJTCEM-ATEUNZGCSA-N -1 0 311.338 -0.068 20 0 DBADRM O=S(=O)([N-]c1cncc(N2CCOCC2)n1)c1c[nH]cn1 ZINC001187731112 833945104 /nfs/dbraw/zinc/94/51/04/833945104.db2.gz DEVIBNIUJOYWMQ-UHFFFAOYSA-N -1 0 310.339 -0.163 20 0 DBADRM CCCc1nn(C)c(C(N)=O)c1[N-]S(=O)(=O)c1c[nH]cn1 ZINC001187731140 833945337 /nfs/dbraw/zinc/94/53/37/833945337.db2.gz DSOFMLUGSMWRNW-UHFFFAOYSA-N -1 0 312.355 -0.005 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H](O)CO ZINC001188005333 833962799 /nfs/dbraw/zinc/96/27/99/833962799.db2.gz XYABNRSDZYAGLT-SECBINFHSA-N -1 0 302.352 -0.469 20 0 DBADRM NC(=O)COCCNS(=O)(=O)c1cccc(Cl)c1[O-] ZINC001188142103 833970165 /nfs/dbraw/zinc/97/01/65/833970165.db2.gz YXCHVRVBPCRNNJ-UHFFFAOYSA-N -1 0 308.743 -0.174 20 0 DBADRM C[C@H]1[C@H](NC(=O)NCc2ccco2)C(=O)N1S(=O)(=O)[O-] ZINC001188183723 833972625 /nfs/dbraw/zinc/97/26/25/833972625.db2.gz XXAUXCOIZSWKKB-XPUUQOCRSA-N -1 0 303.296 -0.519 20 0 DBADRM COCCOCCC(=O)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001188325540 833975862 /nfs/dbraw/zinc/97/58/62/833975862.db2.gz LIJVMYOXCGADOL-SNVBAGLBSA-N -1 0 313.358 -0.746 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1cc(N(C)CCO)ncn1 ZINC001188353165 833977569 /nfs/dbraw/zinc/97/75/69/833977569.db2.gz RJNMFAMRMVKSPA-UHFFFAOYSA-N -1 0 318.355 -0.790 20 0 DBADRM COCCCN1CCc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001277695190 833984893 /nfs/dbraw/zinc/98/48/93/833984893.db2.gz AYLIRIPGKUXMRQ-UHFFFAOYSA-N -1 0 320.357 -0.998 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H]1CCC(=O)NC1=O ZINC001188435612 833985808 /nfs/dbraw/zinc/98/58/08/833985808.db2.gz ZMWOAARJXIXNPH-SSDOTTSWSA-N -1 0 316.291 -0.850 20 0 DBADRM CCn1c(N)c(NC(=O)c2ccncc2[O-])c(=O)n(CC)c1=O ZINC001188637239 833996259 /nfs/dbraw/zinc/99/62/59/833996259.db2.gz QIOPIZDSXPIPSS-UHFFFAOYSA-N -1 0 319.321 -0.015 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)COCC2CC2)C1 ZINC001189059349 834041411 /nfs/dbraw/zinc/04/14/11/834041411.db2.gz OKBCRCBBBSKYGQ-NSHDSACASA-N -1 0 309.370 -0.030 20 0 DBADRM N=C(NC(=O)c1cncnc1N)SCCS(=O)(=O)[O-] ZINC001189121562 834052107 /nfs/dbraw/zinc/05/21/07/834052107.db2.gz KVKCLHBPWAJUSM-UHFFFAOYSA-N -1 0 305.341 -0.656 20 0 DBADRM COc1cc(OC)nc(C(=O)[N-]c2ncnc3n[nH]nc32)n1 ZINC001189219278 834059045 /nfs/dbraw/zinc/05/90/45/834059045.db2.gz VTMGURGLYPVJNM-UHFFFAOYSA-N -1 0 302.254 -0.193 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2ccn(C(F)F)n2)C(=O)N1S(=O)(=O)[O-] ZINC001189454310 834083707 /nfs/dbraw/zinc/08/37/07/834083707.db2.gz KZUQSFXCYYDITH-NJGYIYPDSA-N -1 0 324.265 -0.590 20 0 DBADRM CNS(=O)(=O)CCNC(=O)c1ccccc1S(=O)(=O)[O-] ZINC001189699187 834105991 /nfs/dbraw/zinc/10/59/91/834105991.db2.gz PXNXKIPYGUYYBM-UHFFFAOYSA-N -1 0 322.364 -0.788 20 0 DBADRM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ncc(F)cc1F)[C@@H](C)O ZINC001190207740 834146853 /nfs/dbraw/zinc/14/68/53/834146853.db2.gz VEGMVEMNSRRJLT-HZGVNTEJSA-N -1 0 324.305 -0.049 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1CC(=O)N(C)C1=O ZINC001190238210 834148451 /nfs/dbraw/zinc/14/84/51/834148451.db2.gz MOZPPLQOYUORDP-ZETCQYMHSA-N -1 0 311.385 -0.914 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1cnc(-c2ccccn2)nc1O ZINC001190629554 834174862 /nfs/dbraw/zinc/17/48/62/834174862.db2.gz SIPWKDBXPPGLST-UHFFFAOYSA-N -1 0 310.291 -0.181 20 0 DBADRM CN1CCN(c2ncc([N-]S(=O)(=O)c3ncc[nH]3)cn2)CC1 ZINC001190689632 834180961 /nfs/dbraw/zinc/18/09/61/834180961.db2.gz LSDCRPPUPXTUTP-UHFFFAOYSA-N -1 0 323.382 -0.248 20 0 DBADRM O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001190714846 834184142 /nfs/dbraw/zinc/18/41/42/834184142.db2.gz POHCSXYXKVTQSM-UHFFFAOYSA-N -1 0 321.362 -0.049 20 0 DBADRM CCOC(=O)C(=CNS(=O)(=O)c1ncc[n-]1)C(=O)OCC ZINC001190745848 834187459 /nfs/dbraw/zinc/18/74/59/834187459.db2.gz QCEYYPQQNABBIT-UHFFFAOYSA-N -1 0 317.323 -0.302 20 0 DBADRM Cn1c(C(=O)NC(=N)SCCS(=O)(=O)[O-])c[nH]c1=O ZINC001190994655 834212662 /nfs/dbraw/zinc/21/26/62/834212662.db2.gz CTFWUPSPFFNTNU-UHFFFAOYSA-N -1 0 308.341 -0.589 20 0 DBADRM NOCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001191035435 834216279 /nfs/dbraw/zinc/21/62/79/834216279.db2.gz HXXMBGQTFKNDLR-UHFFFAOYSA-N -1 0 309.731 -0.687 20 0 DBADRM CN(CCF)[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001191050308 834216993 /nfs/dbraw/zinc/21/69/93/834216993.db2.gz GHYGHDNCICDAIZ-JTQLQIEISA-N -1 0 315.349 -0.028 20 0 DBADRM CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H]2CO[N-]C2=O)c1 ZINC001191317643 834241349 /nfs/dbraw/zinc/24/13/49/834241349.db2.gz PPSUCDLIKQSNEV-GFCCVEGCSA-N -1 0 320.305 -0.237 20 0 DBADRM CSC[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191815185 834294733 /nfs/dbraw/zinc/29/47/33/834294733.db2.gz PXRYKSGQVMTGQU-DJLDLDEBSA-N -1 0 315.399 -0.829 20 0 DBADRM O=C([N-]CCNC(=O)c1ncon1)C(F)(F)Br ZINC001192035179 834320002 /nfs/dbraw/zinc/32/00/02/834320002.db2.gz IOCSHFHNGOYPJW-UHFFFAOYSA-N -1 0 313.058 -0.097 20 0 DBADRM COC[C@@H](OC)C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001192266540 834347404 /nfs/dbraw/zinc/34/74/04/834347404.db2.gz GDFJQOUKVCCBII-NXEZZACHSA-N -1 0 313.358 -0.796 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC(CCO)CCO)cc1 ZINC001238733678 834362715 /nfs/dbraw/zinc/36/27/15/834362715.db2.gz QCOAQCQRPXHGSO-UHFFFAOYSA-N -1 0 303.336 -0.204 20 0 DBADRM COC(=O)c1ccc([O-])c(C(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC001192397575 834370968 /nfs/dbraw/zinc/37/09/68/834370968.db2.gz UYMOATDKVDOYKP-VIFPVBQESA-N -1 0 306.274 -0.286 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c(C)n1C ZINC001192441352 834378239 /nfs/dbraw/zinc/37/82/39/834378239.db2.gz BVEROXZEVAHBRW-WPRPVWTQSA-N -1 0 315.351 -0.226 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)NC[C@H](O)CF)cc1 ZINC001192756000 834417990 /nfs/dbraw/zinc/41/79/90/834417990.db2.gz HHTWTCFOZJWBOY-MRVPVSSYSA-N -1 0 307.299 -0.241 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cnn(CCO)c1 ZINC001193017371 834453839 /nfs/dbraw/zinc/45/38/39/834453839.db2.gz WODQKALMLZNUKD-UHFFFAOYSA-N -1 0 305.356 -0.041 20 0 DBADRM CCOC(=O)[C@@H](CCSC)NC(=O)N=c1nn[n-]n1C ZINC001193176221 834472937 /nfs/dbraw/zinc/47/29/37/834472937.db2.gz ZFADNEKKDZXANA-SSDOTTSWSA-N -1 0 302.360 -0.562 20 0 DBADRM C[C@H]1[C@H](NC(=S)NCC(C)(C)C)C(=O)N1S(=O)(=O)[O-] ZINC001247999669 834473478 /nfs/dbraw/zinc/47/34/78/834473478.db2.gz VYUIWFSCWAOTIN-BQBZGAKWSA-N -1 0 309.413 -0.101 20 0 DBADRM O=S(=O)(C[C@H]1CCCO1)[N-][C@@H]1COCCC12OCCO2 ZINC001193289715 834481184 /nfs/dbraw/zinc/48/11/84/834481184.db2.gz OJYRJXMHQCQVRI-GHMZBOCLSA-N -1 0 307.368 -0.383 20 0 DBADRM CC(C)(C)OC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001193287562 834481601 /nfs/dbraw/zinc/48/16/01/834481601.db2.gz CSTQSZBHVKLABM-UWVGGRQHSA-N -1 0 309.384 -0.213 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)c1cccc(OCCO)c1O ZINC001193353463 834487729 /nfs/dbraw/zinc/48/77/29/834487729.db2.gz RHOKSQXUSWFSHK-NSHDSACASA-N -1 0 312.303 -0.198 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCNC(=O)c1cccc(C)c1 ZINC001251349697 834498027 /nfs/dbraw/zinc/49/80/27/834498027.db2.gz HNYUAZUPYAAEER-UHFFFAOYSA-N -1 0 308.338 -0.298 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC(C)(C)[C@]1(O)CCCOC1 ZINC001251349735 834498359 /nfs/dbraw/zinc/49/83/59/834498359.db2.gz HSRJZPIAFXGPCW-ZDUSSCGKSA-N -1 0 303.359 -0.469 20 0 DBADRM CN1CCN(c2cc(NC(=O)c3cc(=O)[nH][n-]3)ncn2)CC1 ZINC001193462143 834498863 /nfs/dbraw/zinc/49/88/63/834498863.db2.gz YJIIQSPDNCVLAI-UHFFFAOYSA-N -1 0 303.326 -0.091 20 0 DBADRM Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)c2cc(=O)[nH][n-]2)cn1 ZINC001193465302 834499306 /nfs/dbraw/zinc/49/93/06/834499306.db2.gz GDAMHZYJRGDCIA-WDEREUQCSA-N -1 0 316.321 -0.131 20 0 DBADRM CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC001251838873 834507254 /nfs/dbraw/zinc/50/72/54/834507254.db2.gz BEQGCOVJURDOPV-LLVKDONJSA-N -1 0 306.384 -0.082 20 0 DBADRM CC(=O)Nc1ccc(S(=O)(=O)NCS(=O)(=O)[O-])cc1 ZINC001251858606 834510600 /nfs/dbraw/zinc/51/06/00/834510600.db2.gz HXONNTYPJSWNLE-UHFFFAOYSA-N -1 0 308.337 -0.231 20 0 DBADRM CCOC[C@@H](O)CNc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001252038189 834518281 /nfs/dbraw/zinc/51/82/81/834518281.db2.gz MBAPGXDRGDXDSS-VIFPVBQESA-N -1 0 300.336 -0.072 20 0 DBADRM Cc1cc(O)cc(O)c1C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001193929831 834546681 /nfs/dbraw/zinc/54/66/81/834546681.db2.gz MDGNPXWERBVQLN-UHFFFAOYSA-N -1 0 300.336 -0.220 20 0 DBADRM C[C@H]1O[C@@H](n2cnc3c2ncnc3[N-]S(C)(=O)=O)C[C@@H]1O ZINC001252643956 834547527 /nfs/dbraw/zinc/54/75/27/834547527.db2.gz XELNQURUGVUMNI-GJMOJQLCSA-N -1 0 313.339 -0.134 20 0 DBADRM COC(=O)CC(CC(=O)OC)[N-]S(=O)(=O)CC(F)(F)F ZINC001253229893 834566521 /nfs/dbraw/zinc/56/65/21/834566521.db2.gz YZIPIJXJWOFVFU-UHFFFAOYSA-N -1 0 321.273 -0.037 20 0 DBADRM O=C(NCC[N-]S(=O)(=O)CC(F)(F)F)N1CCOCC1 ZINC001253218224 834566476 /nfs/dbraw/zinc/56/64/76/834566476.db2.gz PGTMMYKIKNAIOC-UHFFFAOYSA-N -1 0 319.305 -0.490 20 0 DBADRM Cn1[n-]c(C(=O)N2CCN(C(=O)C(F)(F)F)CC2)cc1=O ZINC001194196159 834576493 /nfs/dbraw/zinc/57/64/93/834576493.db2.gz QYUHQJKRFRSIPF-UHFFFAOYSA-N -1 0 306.244 -0.028 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC[C@H](O)C(=O)OC(C)(C)C ZINC001253699759 834577187 /nfs/dbraw/zinc/57/71/87/834577187.db2.gz HHLIPRNGIYZSSX-IUCAKERBSA-N -1 0 305.327 -0.315 20 0 DBADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N[C@H](CO)C(N)=O ZINC001194278071 834583333 /nfs/dbraw/zinc/58/33/33/834583333.db2.gz WXXDLUWXVNEJHD-SNVBAGLBSA-N -1 0 304.306 -0.538 20 0 DBADRM Cc1cc(N)ncc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001194353643 834593119 /nfs/dbraw/zinc/59/31/19/834593119.db2.gz DMXUWWVJJANPTL-RCOVLWMOSA-N -1 0 314.323 -0.896 20 0 DBADRM CC(C)n1cc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cn1 ZINC001254982237 834604045 /nfs/dbraw/zinc/60/40/45/834604045.db2.gz WWCARCNTHOVNHG-UHFFFAOYSA-N -1 0 301.328 -0.449 20 0 DBADRM COc1ccc(OC)c(NC(=O)C(=O)NCc2nc(=O)o[n-]2)c1 ZINC001255139462 834605091 /nfs/dbraw/zinc/60/50/91/834605091.db2.gz GSIZWGQXWNODFY-UHFFFAOYSA-N -1 0 322.277 -0.365 20 0 DBADRM COCCn1cccc(C(=O)Nc2cc(=O)n(C)c([O-])n2)c1=O ZINC001194500412 834606418 /nfs/dbraw/zinc/60/64/18/834606418.db2.gz SRVHAAVYOLXDLL-UHFFFAOYSA-N -1 0 320.305 -0.454 20 0 DBADRM C[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CO[N-]C3=O)c(F)c2)CC1 ZINC001194541564 834610445 /nfs/dbraw/zinc/61/04/45/834610445.db2.gz GDIHDNVELRRNHH-CYBMUJFWSA-N -1 0 322.340 -0.263 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 ZINC001255532076 834612580 /nfs/dbraw/zinc/61/25/80/834612580.db2.gz UBMQLJIXCRGCEY-UHFFFAOYSA-N -1 0 323.305 -0.866 20 0 DBADRM CNC(=O)[C@@H](Cc1ccccc1)NC(=O)NCC(=O)[N-]OC ZINC001255995568 834617944 /nfs/dbraw/zinc/61/79/44/834617944.db2.gz XFFRVWKHFDFEID-LLVKDONJSA-N -1 0 308.338 -0.680 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cn(-c2cnccn2)cn1 ZINC001194728201 834624538 /nfs/dbraw/zinc/62/45/38/834624538.db2.gz ZSYLLTJODPMUPQ-SNVBAGLBSA-N -1 0 304.291 -0.299 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)c1cn(-c2cnccn2)cn1 ZINC001194728200 834624785 /nfs/dbraw/zinc/62/47/85/834624785.db2.gz ZSYLLTJODPMUPQ-JTQLQIEISA-N -1 0 304.291 -0.299 20 0 DBADRM COc1ncccc1S(=O)(=O)NCC(=O)CCC(=O)[O-] ZINC001194740509 834627170 /nfs/dbraw/zinc/62/71/70/834627170.db2.gz SSGGHJWGDPHKDA-UHFFFAOYSA-N -1 0 302.308 -0.198 20 0 DBADRM C[C@@H]1NC(=O)N(CCN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC001194764882 834630154 /nfs/dbraw/zinc/63/01/54/834630154.db2.gz PJBZALSGRWCOFN-IUCAKERBSA-N -1 0 308.342 -0.370 20 0 DBADRM O=C(NCCCN1CCCC1=O)c1c[n-]n2c1nccc2=O ZINC001256738195 834633108 /nfs/dbraw/zinc/63/31/08/834633108.db2.gz DLTAWBCXJGWOKF-UHFFFAOYSA-N -1 0 303.322 -0.235 20 0 DBADRM COc1ccc(S(=O)(=O)NCS(=O)(=O)[O-])cc1OC ZINC001257137622 834644010 /nfs/dbraw/zinc/64/40/10/834644010.db2.gz YJRINJWSIYBSBE-UHFFFAOYSA-N -1 0 311.337 -0.173 20 0 DBADRM C[Si](C)(C)CCS(=O)(=O)NCc1noc(C(N)=O)n1 ZINC001195090753 834655211 /nfs/dbraw/zinc/65/52/11/834655211.db2.gz DKYSICHABCUSTN-UHFFFAOYSA-N -1 0 306.420 -0.074 20 0 DBADRM CCCC(=O)NCC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001195101562 834656813 /nfs/dbraw/zinc/65/68/13/834656813.db2.gz QCBGXXPJBILISX-UHFFFAOYSA-N -1 0 324.385 -0.539 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCNC2=O)c(F)cc1F ZINC001195246285 834666284 /nfs/dbraw/zinc/66/62/84/834666284.db2.gz ZFUPMVPBJJKHPU-MRVPVSSYSA-N -1 0 320.273 -0.170 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CNC(=O)C2)c(F)cc1F ZINC001195257201 834666368 /nfs/dbraw/zinc/66/63/68/834666368.db2.gz BUMKMNYLIWLALM-YFKPBYRVSA-N -1 0 320.273 -0.170 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C(F)(F)F ZINC001195401310 834683842 /nfs/dbraw/zinc/68/38/42/834683842.db2.gz UVTAVPQAIYSQHA-RRKCRQDMSA-N -1 0 323.275 -0.630 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H]1CNC(=O)C1 ZINC001258458239 834684036 /nfs/dbraw/zinc/68/40/36/834684036.db2.gz QROGUKQVESERJC-ZETCQYMHSA-N -1 0 306.775 -0.204 20 0 DBADRM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N[C@@H](CO)C(N)=O)C(=O)C2 ZINC001258975791 834689352 /nfs/dbraw/zinc/68/93/52/834689352.db2.gz CSOOSILCMQFWAZ-RVBZMBCESA-N -1 0 318.395 -0.853 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1cn(C)cn1 ZINC001259002188 834691520 /nfs/dbraw/zinc/69/15/20/834691520.db2.gz QNSFADSRTIPBQR-ZETCQYMHSA-N -1 0 305.312 -0.895 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cnn2c1OCC1(CC1)C2 ZINC001259018440 834692236 /nfs/dbraw/zinc/69/22/36/834692236.db2.gz LAUKVAZANPZNDM-UHFFFAOYSA-N -1 0 301.324 -0.030 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1nc(C(=O)OC)ccc1OC ZINC001259018525 834692312 /nfs/dbraw/zinc/69/23/12/834692312.db2.gz PBYNGKWLCVAHIX-UHFFFAOYSA-N -1 0 318.307 -0.209 20 0 DBADRM O=C(CCCC1CC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001195501589 834692367 /nfs/dbraw/zinc/69/23/67/834692367.db2.gz PZFTVUZTLFYKMY-GHMZBOCLSA-N -1 0 309.370 -0.248 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1ncccc1N1CCOCC1 ZINC001259018461 834692758 /nfs/dbraw/zinc/69/27/58/834692758.db2.gz MNPVRFNODBOBCF-UHFFFAOYSA-N -1 0 315.351 -0.167 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1csc(N2CCOCC2)n1 ZINC001259019098 834693699 /nfs/dbraw/zinc/69/36/99/834693699.db2.gz TUUVBCVAMUVXKR-UHFFFAOYSA-N -1 0 321.380 -0.106 20 0 DBADRM CCOC(=O)[C@H]([N-]S(=O)(=O)CC(=O)OC)C(F)(F)F ZINC001259029401 834696399 /nfs/dbraw/zinc/69/63/99/834696399.db2.gz RGDRGGOPNXWWFI-LURJTMIESA-N -1 0 307.246 -0.427 20 0 DBADRM Cn1cc(C(=O)Nc2cnnc([O-])c2Cl)c(=O)n(C)c1=O ZINC001195532895 834696243 /nfs/dbraw/zinc/69/62/43/834696243.db2.gz YCEHFUVXGHORPW-UHFFFAOYSA-N -1 0 311.685 -0.515 20 0 DBADRM CNC(=O)Cc1ccccc1[N-]S(=O)(=O)CC(=O)OC ZINC001259026366 834696534 /nfs/dbraw/zinc/69/65/34/834696534.db2.gz QXCXNEFHUXDQSS-UHFFFAOYSA-N -1 0 300.336 -0.110 20 0 DBADRM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC(=O)OC)C(F)(F)F ZINC001259029402 834696670 /nfs/dbraw/zinc/69/66/70/834696670.db2.gz RGDRGGOPNXWWFI-ZCFIWIBFSA-N -1 0 307.246 -0.427 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cccc(C(=O)OC)c1 ZINC001195565426 834700395 /nfs/dbraw/zinc/70/03/95/834700395.db2.gz JDCQZPAGJXIVRZ-UHFFFAOYSA-N -1 0 302.308 -0.571 20 0 DBADRM NC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)C2CC2)cc1 ZINC001259276288 834702052 /nfs/dbraw/zinc/70/20/52/834702052.db2.gz XKSLKWSVZYMRFZ-UHFFFAOYSA-N -1 0 319.364 -0.052 20 0 DBADRM O=[P@@]([O-])(O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001259346484 834703180 /nfs/dbraw/zinc/70/31/80/834703180.db2.gz AYHANNJNMDDIBX-UHFFFAOYSA-N -1 0 323.263 -0.086 20 0 DBADRM NC(=O)c1nc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2)no1 ZINC001259314415 834703262 /nfs/dbraw/zinc/70/32/62/834703262.db2.gz XLBOUYWGPYSIJC-UHFFFAOYSA-N -1 0 318.261 -0.075 20 0 DBADRM CN(C)C(=O)c1nc(CNS(=O)(=O)c2cccnc2)no1 ZINC001259610706 834705510 /nfs/dbraw/zinc/70/55/10/834705510.db2.gz REHOYTFZTOWGKY-UHFFFAOYSA-N -1 0 311.323 -0.355 20 0 DBADRM Cc1nn(C)c([N-]S(=O)(=O)C2CCOCC2)c1C(N)=O ZINC001259907627 834712655 /nfs/dbraw/zinc/71/26/55/834712655.db2.gz ZRRRZWYLHHTJJD-UHFFFAOYSA-N -1 0 302.356 -0.252 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]c2ccnc(C(N)=O)c2)cn1 ZINC001195694871 834717481 /nfs/dbraw/zinc/71/74/81/834717481.db2.gz LFSMBXGTGTWSHC-UHFFFAOYSA-N -1 0 308.319 -0.193 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001260112582 834726727 /nfs/dbraw/zinc/72/67/27/834726727.db2.gz YKJBNUPYLDJCEF-MRVPVSSYSA-N -1 0 304.353 -0.376 20 0 DBADRM O=C1OCC[C@@H]1[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260176530 834728898 /nfs/dbraw/zinc/72/88/98/834728898.db2.gz PATDEYJEAABNRR-YFKPBYRVSA-N -1 0 317.714 -0.629 20 0 DBADRM Cn1nncc1[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260168668 834729265 /nfs/dbraw/zinc/72/92/65/834729265.db2.gz ZZLIOMUOVWOOGB-UHFFFAOYSA-N -1 0 314.718 -0.293 20 0 DBADRM CN(C)C(=O)C[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260167200 834729289 /nfs/dbraw/zinc/72/92/89/834729289.db2.gz ULXASVJJWORSIL-UHFFFAOYSA-N -1 0 318.746 -0.856 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)[C@@H](C)O ZINC001260192408 834730452 /nfs/dbraw/zinc/73/04/52/834730452.db2.gz LSTUCQITCNISLF-XCBNKYQSSA-N -1 0 317.319 -0.415 20 0 DBADRM O=S(=O)([N-]C1(CO)CC1)c1nc2nc(Cl)ccn2n1 ZINC001260178864 834730490 /nfs/dbraw/zinc/73/04/90/834730490.db2.gz RQQFLBULSJTIPE-UHFFFAOYSA-N -1 0 303.731 -0.419 20 0 DBADRM NC(=O)[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260225220 834731217 /nfs/dbraw/zinc/73/12/17/834731217.db2.gz MDKGIMCAPPXVAD-WPRPVWTQSA-N -1 0 316.310 -0.029 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)NC2(CO)COC2)c1 ZINC001260217773 834731536 /nfs/dbraw/zinc/73/15/36/834731536.db2.gz DCOCIRGDQHTDQK-UHFFFAOYSA-N -1 0 305.283 -0.437 20 0 DBADRM COC(=O)C(NS(=O)(=O)c1cccc(C(=O)[O-])c1)=C(C)O ZINC001260192976 834731592 /nfs/dbraw/zinc/73/15/92/834731592.db2.gz VPHWIDNYCSYDDP-SNVBAGLBSA-N -1 0 315.303 -0.206 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CNC(=O)O2)cc1 ZINC001260232310 834731778 /nfs/dbraw/zinc/73/17/78/834731778.db2.gz HPZCNHXTEAXOGO-MRVPVSSYSA-N -1 0 300.292 -0.229 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)[C@@H](C)O ZINC001260229577 834731822 /nfs/dbraw/zinc/73/18/22/834731822.db2.gz QLVFJLVQUWIWBA-XCBNKYQSSA-N -1 0 317.319 -0.415 20 0 DBADRM O=C1[N-]OC[C@H]1NS(=O)(=O)c1cccc2nsnc21 ZINC001260389395 834732697 /nfs/dbraw/zinc/73/26/97/834732697.db2.gz LPFHFIYBBGPQJX-ZCFIWIBFSA-N -1 0 300.321 -0.600 20 0 DBADRM NC(=O)c1cc([N-]S(=O)(=O)c2cccc3nonc32)ccn1 ZINC001260436346 834733617 /nfs/dbraw/zinc/73/36/17/834733617.db2.gz ZGKAMSCVBYSRHE-UHFFFAOYSA-N -1 0 319.302 -0.061 20 0 DBADRM Cc1nc2ccc([N-]S(=O)(=O)CS(C)(=O)=O)cn2n1 ZINC001260584129 834736673 /nfs/dbraw/zinc/73/66/73/834736673.db2.gz BWODTNZEPGABBA-UHFFFAOYSA-N -1 0 304.353 -0.218 20 0 DBADRM CNC(=O)c1cccnc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260585056 834737169 /nfs/dbraw/zinc/73/71/69/834737169.db2.gz MHALUTJYHWZUHI-UHFFFAOYSA-N -1 0 307.353 -0.815 20 0 DBADRM COC(=O)c1cc(C)c([N-]S(=O)(=O)CS(C)(=O)=O)cn1 ZINC001260584667 834737181 /nfs/dbraw/zinc/73/71/81/834737181.db2.gz RQGBVUHLVDXINP-UHFFFAOYSA-N -1 0 322.364 -0.080 20 0 DBADRM CCOC(=O)c1ncncc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260584603 834737668 /nfs/dbraw/zinc/73/76/68/834737668.db2.gz OIKKMHFCEUDAHI-UHFFFAOYSA-N -1 0 323.352 -0.603 20 0 DBADRM Cc1nnc2ccc([N-]S(=O)(=O)CS(C)(=O)=O)cn12 ZINC001260585038 834737722 /nfs/dbraw/zinc/73/77/22/834737722.db2.gz LLIBTQWXIUGFGO-UHFFFAOYSA-N -1 0 304.353 -0.218 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1ncnc(OC)c1OC ZINC001195943190 834738596 /nfs/dbraw/zinc/73/85/96/834738596.db2.gz ZSVHYLIBNXKFEK-UHFFFAOYSA-N -1 0 305.312 -0.201 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1c(CC)n(C)nc1C(N)=O ZINC001195941105 834738902 /nfs/dbraw/zinc/73/89/02/834738902.db2.gz CYYABDMQWOOMSB-UHFFFAOYSA-N -1 0 318.355 -0.614 20 0 DBADRM COC(=O)c1ccc([N-]S(=O)(=O)CS(C)(=O)=O)cc1O ZINC001260590640 834739727 /nfs/dbraw/zinc/73/97/27/834739727.db2.gz LHLLAVPCVPFCNG-UHFFFAOYSA-N -1 0 323.348 -0.077 20 0 DBADRM COc1cc(CO)cc(NS(=O)(=O)CS(C)(=O)=O)c1 ZINC001260593278 834740228 /nfs/dbraw/zinc/74/02/28/834740228.db2.gz FUMCJKLRHVGYIV-UHFFFAOYSA-N -1 0 309.365 -0.069 20 0 DBADRM CNC(=O)Cc1ccccc1NS(=O)(=O)CS(C)(=O)=O ZINC001260591905 834740799 /nfs/dbraw/zinc/74/07/99/834740799.db2.gz RMUSTIUPSGOMRR-UHFFFAOYSA-N -1 0 320.392 -0.281 20 0 DBADRM COc1cccc(CO)c1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260592747 834740915 /nfs/dbraw/zinc/74/09/15/834740915.db2.gz PRKAIPVYHRGIQC-UHFFFAOYSA-N -1 0 309.365 -0.069 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)CS(C)(=O)=O)C(C)(C)C ZINC001260594510 834741924 /nfs/dbraw/zinc/74/19/24/834741924.db2.gz VWIVGRAWUDYZKV-SSDOTTSWSA-N -1 0 301.386 -0.504 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1ccc(C(N)=O)c(O)c1 ZINC001195984865 834743475 /nfs/dbraw/zinc/74/34/75/834743475.db2.gz YNSRLBJZMZANPO-UHFFFAOYSA-N -1 0 302.308 -0.204 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-][C@@H](C(=O)OC)C(F)(F)F ZINC001195995470 834744460 /nfs/dbraw/zinc/74/44/60/834744460.db2.gz VJOKORXDBNWOEL-LURJTMIESA-N -1 0 307.246 -0.427 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]Cc1nc(C(=O)OCC)no1 ZINC001195994976 834744809 /nfs/dbraw/zinc/74/48/09/834744809.db2.gz OZZDFQHAYSWWGJ-UHFFFAOYSA-N -1 0 321.311 -0.771 20 0 DBADRM CCOC(=O)CS(=O)(=O)NCCCC[P@@](=O)([O-])O ZINC001195993135 834745582 /nfs/dbraw/zinc/74/55/82/834745582.db2.gz MOBFNMAISDAIDA-UHFFFAOYSA-N -1 0 303.273 -0.573 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@H]2CCNC(=O)C2)s1 ZINC001260707995 834746127 /nfs/dbraw/zinc/74/61/27/834746127.db2.gz GJVPZHNKTANCBB-ZETCQYMHSA-N -1 0 318.380 -0.342 20 0 DBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)c2cnc3c(cnn3C)c2)n1 ZINC001261204947 834769371 /nfs/dbraw/zinc/76/93/71/834769371.db2.gz KEVNOLDNVIXEGG-UHFFFAOYSA-N -1 0 321.322 -0.785 20 0 DBADRM Cc1cn2c(ncc(C(=O)Nn3c(=O)[n-][nH]c3=O)c2=O)s1 ZINC001261252296 834773374 /nfs/dbraw/zinc/77/33/74/834773374.db2.gz FOCUXTNTKFBGCO-UHFFFAOYSA-N -1 0 308.279 -0.549 20 0 DBADRM O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1cc(Cl)ncc1[O-] ZINC001196396347 834784043 /nfs/dbraw/zinc/78/40/43/834784043.db2.gz GABVJTXMZIBBMP-OFBQIVOGSA-N -1 0 302.714 -0.727 20 0 DBADRM COc1ncncc1C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001196545237 834791703 /nfs/dbraw/zinc/79/17/03/834791703.db2.gz YMJXHHWSZJFOIL-UHFFFAOYSA-N -1 0 320.352 -0.229 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC001261481019 834792330 /nfs/dbraw/zinc/79/23/30/834792330.db2.gz IOMAAYWXWKAAGN-JGVFFNPUSA-N -1 0 301.324 -0.098 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)NCCN2CCCC2=O)CC1 ZINC001261523066 834799422 /nfs/dbraw/zinc/79/94/22/834799422.db2.gz MKBITCXIKQHPGH-UHFFFAOYSA-N -1 0 311.338 -0.952 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1cccc(F)c1 ZINC001261532017 834800962 /nfs/dbraw/zinc/80/09/62/834800962.db2.gz YINAVIXHVPDKKP-UHFFFAOYSA-N -1 0 311.313 -0.332 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1cccc(C)c1 ZINC001261533174 834801880 /nfs/dbraw/zinc/80/18/80/834801880.db2.gz GUFLPDOHVVQKFB-UHFFFAOYSA-N -1 0 307.350 -0.162 20 0 DBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001196738527 834802871 /nfs/dbraw/zinc/80/28/71/834802871.db2.gz ATOMUWTTXJFAQV-HTQZYQBOSA-N -1 0 320.392 -0.313 20 0 DBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)NC[C@@H]1CNC(=O)O1 ZINC001196741166 834804546 /nfs/dbraw/zinc/80/45/46/834804546.db2.gz RACYFUQJTQGCTQ-ZCFIWIBFSA-N -1 0 319.364 -0.042 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccccc1F ZINC001261543102 834804919 /nfs/dbraw/zinc/80/49/19/834804919.db2.gz DMXAKOMNGMVPBP-UHFFFAOYSA-N -1 0 311.313 -0.032 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCS[C@@H](C)[C@@H]1C ZINC001261543076 834804983 /nfs/dbraw/zinc/80/49/83/834804983.db2.gz CRXPLOOOVZNRDI-IUCAKERBSA-N -1 0 303.384 -0.477 20 0 DBADRM Cc1cc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)c(N(C)C)nn1 ZINC001261601102 834812175 /nfs/dbraw/zinc/81/21/75/834812175.db2.gz DFYBTVQOPIZERO-JTQLQIEISA-N -1 0 323.353 -0.126 20 0 DBADRM CCN(CCO)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001261630684 834820531 /nfs/dbraw/zinc/82/05/31/834820531.db2.gz SXIKMBKCHUBXFY-UHFFFAOYSA-N -1 0 312.326 -0.518 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC001261632373 834821352 /nfs/dbraw/zinc/82/13/52/834821352.db2.gz YWEFNURJYPYXOL-JTQLQIEISA-N -1 0 311.338 -0.952 20 0 DBADRM COC(=O)c1cccc(C)c1S(=O)(=O)N[C@@H]1CO[N-]C1=O ZINC001197048060 834829588 /nfs/dbraw/zinc/82/95/88/834829588.db2.gz CBHYFGYODAHQFC-SECBINFHSA-N -1 0 314.319 -0.510 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC001261721371 834839371 /nfs/dbraw/zinc/83/93/71/834839371.db2.gz ZNUUHXBDKATVIP-GFCCVEGCSA-N -1 0 323.296 -0.947 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)NCCCCCC(=O)[O-] ZINC001261819245 834854122 /nfs/dbraw/zinc/85/41/22/834854122.db2.gz UKQBYHITPUEOJS-UHFFFAOYSA-N -1 0 311.342 -0.325 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)[N-]OC(C)(C)CO ZINC001261825648 834859526 /nfs/dbraw/zinc/85/95/26/834859526.db2.gz NINSDCNRWVIDIU-UHFFFAOYSA-N -1 0 302.283 -0.204 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)N1C[C@@H](CO)[C@H](CO)C1 ZINC001261831191 834860908 /nfs/dbraw/zinc/86/09/08/834860908.db2.gz VETJDSNMGYGGRK-BQBZGAKWSA-N -1 0 321.449 -0.022 20 0 DBADRM Nc1c2c(=O)nccc-2[n-]n1C(=O)c1cnn(-c2ncccn2)c1 ZINC001197842171 834909345 /nfs/dbraw/zinc/90/93/45/834909345.db2.gz HDWAYILEVGJLRK-UHFFFAOYSA-N -1 0 322.288 -0.077 20 0 DBADRM O=C(NCCO)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001197980830 834916986 /nfs/dbraw/zinc/91/69/86/834916986.db2.gz IIWJFFVCARMGFG-UHFFFAOYSA-N -1 0 310.697 -0.291 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC001262266832 834926240 /nfs/dbraw/zinc/92/62/40/834926240.db2.gz AMGLCCIAVKQCQX-XHDPSFHLSA-N -1 0 305.334 -0.373 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001262463903 834942945 /nfs/dbraw/zinc/94/29/45/834942945.db2.gz YLNNPIPHHCGCDV-QWRGUYRKSA-N -1 0 310.358 -0.396 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1ccc(N2CCCNC2=O)nc1 ZINC001198465809 834947682 /nfs/dbraw/zinc/94/76/82/834947682.db2.gz YKTASJKUDYVOEJ-SECBINFHSA-N -1 0 305.294 -0.839 20 0 DBADRM O=C(NCCCc1c[nH][nH]c1=O)c1cnc2ccccn2c1=O ZINC001198547080 834952151 /nfs/dbraw/zinc/95/21/51/834952151.db2.gz SDKXLLCMNXIYEH-JTQLQIEISA-N -1 0 313.317 -0.064 20 0 DBADRM O=C(NCCCc1c[nH][nH]c1=O)c1cnc2ccccn2c1=O ZINC001198547081 834952217 /nfs/dbraw/zinc/95/22/17/834952217.db2.gz SDKXLLCMNXIYEH-SNVBAGLBSA-N -1 0 313.317 -0.064 20 0 DBADRM COc1nc(Cl)ccc1S(=O)(=O)NCS(=O)(=O)[O-] ZINC001198720808 834965133 /nfs/dbraw/zinc/96/51/33/834965133.db2.gz YAKDOKOWOOVFIE-UHFFFAOYSA-N -1 0 316.744 -0.133 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001198749165 834966561 /nfs/dbraw/zinc/96/65/61/834966561.db2.gz GXWCLMHMAHZGIH-ONGXEEELSA-N -1 0 315.347 -0.251 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1cccc(=O)n1CC(F)(F)F ZINC001198736673 834966675 /nfs/dbraw/zinc/96/66/75/834966675.db2.gz OPSBGOFZTUMFKS-ZCFIWIBFSA-N -1 0 305.212 -0.430 20 0 DBADRM CCC(CO)(CO)NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198798287 834968868 /nfs/dbraw/zinc/96/88/68/834968868.db2.gz UCTUIHDEMABZAZ-UHFFFAOYSA-N -1 0 303.336 -0.204 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001198798776 834969113 /nfs/dbraw/zinc/96/91/13/834969113.db2.gz IKDYUMHLKSHRHO-QMMMGPOBSA-N -1 0 317.344 -0.026 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1O ZINC001198797827 834969121 /nfs/dbraw/zinc/96/91/21/834969121.db2.gz NFPCYGBHHRJABR-NXEZZACHSA-N -1 0 301.320 -0.187 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC(=O)NC1=O ZINC001198809057 834969293 /nfs/dbraw/zinc/96/92/93/834969293.db2.gz BMKXWFSTKUUBBC-SSDOTTSWSA-N -1 0 312.303 -0.674 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CCC[C@H](OC3CCC3)C2)C[NH2+]CCO1 ZINC001263152525 834973857 /nfs/dbraw/zinc/97/38/57/834973857.db2.gz LMXKZPCELOAUFA-SWLSCSKDSA-N -1 0 312.366 -0.010 20 0 DBADRM C[C@H](CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC1 ZINC001199164506 834994601 /nfs/dbraw/zinc/99/46/01/834994601.db2.gz SSUFXPWZQYIQMR-FBIMIBRVSA-N -1 0 309.370 -0.392 20 0 DBADRM COCCn1ccnc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001199410076 835020306 /nfs/dbraw/zinc/02/03/06/835020306.db2.gz PWHXSVXFRLJJSG-VIFPVBQESA-N -1 0 313.310 -0.334 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1cnc(OCC(F)(F)F)nc1 ZINC001199526756 835031776 /nfs/dbraw/zinc/03/17/76/835031776.db2.gz VRYKBXWYLUBTIR-ZCFIWIBFSA-N -1 0 306.200 -0.423 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C(C)(C)C(N)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001264706935 835050035 /nfs/dbraw/zinc/05/00/35/835050035.db2.gz YJIDBLOWERRQEW-SFYZADRCSA-N -1 0 310.358 -0.899 20 0 DBADRM Cc1nn(C)cc1C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001264970912 835054996 /nfs/dbraw/zinc/05/49/96/835054996.db2.gz BZGBQULNGPZMLJ-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM CCCN(C(=O)C(N)=O)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001265339917 835132310 /nfs/dbraw/zinc/13/23/10/835132310.db2.gz BDTPZMDDLFUXDQ-UHFFFAOYSA-N -1 0 310.358 -0.801 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]c1onc(C)c1C(N)=O ZINC001201903856 835217652 /nfs/dbraw/zinc/21/76/52/835217652.db2.gz KMQQAMYDFAOBBM-UHFFFAOYSA-N -1 0 305.312 -0.223 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]c1cnccc1C(N)=O ZINC001201905414 835217670 /nfs/dbraw/zinc/21/76/70/835217670.db2.gz UFOGBERFLKEOAZ-UHFFFAOYSA-N -1 0 301.324 -0.125 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]c1cncc(C(=O)OC)n1 ZINC001201905057 835217695 /nfs/dbraw/zinc/21/76/95/835217695.db2.gz FCKXOAGZASFVTC-UHFFFAOYSA-N -1 0 317.323 -0.042 20 0 DBADRM COC(=O)CCCS(=O)(=O)NCCCc1c[nH][nH]c1=O ZINC001201916779 835218900 /nfs/dbraw/zinc/21/89/00/835218900.db2.gz ITJNWVCPNYEVNL-VIFPVBQESA-N -1 0 305.356 -0.629 20 0 DBADRM CCOC(=O)C([N-]S(=O)(=O)CCCC(=O)OC)=C(C)O ZINC001201920966 835219541 /nfs/dbraw/zinc/21/95/41/835219541.db2.gz MYCDWRXNMNSVGV-JTQLQIEISA-N -1 0 309.340 -0.620 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCCCN(C)C1=O)Cc1n[nH]c(=O)[n-]1 ZINC001266347957 835286969 /nfs/dbraw/zinc/28/69/69/835286969.db2.gz UQMZVIFSROGXKF-JTQLQIEISA-N -1 0 324.385 -0.683 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCCNC(=O)c1occc1C ZINC001205244296 835338026 /nfs/dbraw/zinc/33/80/26/835338026.db2.gz AAGWBIFSPPWVQK-UHFFFAOYSA-N -1 0 321.341 -0.042 20 0 DBADRM CCn1[n-]nnc1=NC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC001205253742 835338229 /nfs/dbraw/zinc/33/82/29/835338229.db2.gz VJJYPIYRXVEPKN-NSHDSACASA-N -1 0 317.309 -0.016 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1CCN(C)C1=O)Cc1n[nH]c(=O)[n-]1 ZINC001266568808 835338889 /nfs/dbraw/zinc/33/88/89/835338889.db2.gz UFJLLNYFOBGGOU-JTQLQIEISA-N -1 0 324.385 -0.683 20 0 DBADRM O=C([O-])C[C@@H](C(=O)OCC[NH+]1CCCCC1)[C@@H](O)C(=O)[O-] ZINC001206718831 835412360 /nfs/dbraw/zinc/41/23/60/835412360.db2.gz YECUFTUWKKMJII-MWLCHTKSSA-N -1 0 303.311 -0.448 20 0 DBADRM NC(=O)CCCCC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001267696608 835568080 /nfs/dbraw/zinc/56/80/80/835568080.db2.gz WDGPPPOAJGEDMO-UHFFFAOYSA-N -1 0 310.358 -0.896 20 0 DBADRM CC(C)C[C@H](C(N)=O)C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001267700051 835569455 /nfs/dbraw/zinc/56/94/55/835569455.db2.gz HZMPBQXTNIHYQK-SNVBAGLBSA-N -1 0 324.385 -0.794 20 0 DBADRM Cc1cc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)c(C)nn1 ZINC001268544619 835725662 /nfs/dbraw/zinc/72/56/62/835725662.db2.gz QUVHTNYUIFYOGH-ONEGZZNKSA-N -1 0 317.353 -0.007 20 0 DBADRM O=C(CCc1c[nH]cn1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001268548998 835726547 /nfs/dbraw/zinc/72/65/47/835726547.db2.gz USFGPZNNTOWPAR-OWOJBTEDSA-N -1 0 305.342 -0.372 20 0 DBADRM C/C=C/C(=O)N1CCc2onc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001268864367 835828670 /nfs/dbraw/zinc/82/86/70/835828670.db2.gz JDEHCXLDPZKZOZ-ONEGZZNKSA-N -1 0 317.309 -0.667 20 0 DBADRM NC(=O)c1ccccc1NC(=O)CN1CCOC[C@H]1CC(=O)[O-] ZINC000321409707 970768821 /nfs/dbraw/zinc/76/88/21/970768821.db2.gz GZNQDQRHETYHML-SNVBAGLBSA-N -1 0 321.333 -0.101 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1nc2nccc(C)n2n1)C(=O)[O-] ZINC000321852249 970815746 /nfs/dbraw/zinc/81/57/46/970815746.db2.gz CPPURPLOOGAPQK-MRVPVSSYSA-N -1 0 321.293 -0.431 20 0 DBADRM COc1cccc(NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000321927096 970825888 /nfs/dbraw/zinc/82/58/88/970825888.db2.gz YGYLMLQJZJGCND-LBPRGKRZSA-N -1 0 321.333 -0.091 20 0 DBADRM COc1ccc(OCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000321980338 970832184 /nfs/dbraw/zinc/83/21/84/970832184.db2.gz JHGHNEBFMBWBNC-LBPRGKRZSA-N -1 0 322.317 -0.124 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000321979131 970832558 /nfs/dbraw/zinc/83/25/58/970832558.db2.gz JECAPICWFYADOY-NSHDSACASA-N -1 0 319.317 -0.265 20 0 DBADRM COc1ccc(OCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000321979735 970832692 /nfs/dbraw/zinc/83/26/92/970832692.db2.gz JHGHNEBFMBWBNC-GFCCVEGCSA-N -1 0 322.317 -0.124 20 0 DBADRM Cn1nccc1[C@@H](NS(=O)(=O)N1CCCOCC1)C(=O)[O-] ZINC001601034878 970918872 /nfs/dbraw/zinc/91/88/72/970918872.db2.gz AKUKXKGEGGALAV-SNVBAGLBSA-N -1 0 318.355 -0.898 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N[C@@H]2COC[C@@H]2O)c1 ZINC000323060528 970963443 /nfs/dbraw/zinc/96/34/43/970963443.db2.gz KYPXOTIBXLHKQZ-BDAKNGLRSA-N -1 0 305.283 -0.438 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1F ZINC000323097311 970965915 /nfs/dbraw/zinc/96/59/15/970965915.db2.gz UPBCXOFVWJLRKX-NXEZZACHSA-N -1 0 305.283 -0.438 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3cnn4ccncc34)C2)nn1 ZINC000323112497 970967489 /nfs/dbraw/zinc/96/74/89/970967489.db2.gz HVNCHCKLVLOJPV-UHFFFAOYSA-N -1 0 313.277 -0.284 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000323144781 970970013 /nfs/dbraw/zinc/97/00/13/970970013.db2.gz KYIDKMTYWNMJRF-NSHDSACASA-N -1 0 320.261 -0.044 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)N[C@@H]2COC[C@H]2O)cc1 ZINC000323180986 970973084 /nfs/dbraw/zinc/97/30/84/970973084.db2.gz POWUBMFPKYMGGS-GHMZBOCLSA-N -1 0 323.305 -0.618 20 0 DBADRM O=C([O-])/C=C\c1ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)cc1 ZINC000323488288 971009710 /nfs/dbraw/zinc/00/97/10/971009710.db2.gz AUKHGWYGUUTUPJ-FVLQNALFSA-N -1 0 313.331 -0.178 20 0 DBADRM O=C([O-])/C=C/c1ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)cc1 ZINC000323488290 971009764 /nfs/dbraw/zinc/00/97/64/971009764.db2.gz AUKHGWYGUUTUPJ-ZBWCZXCSSA-N -1 0 313.331 -0.178 20 0 DBADRM CC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nnn[n-]3)n2)CCO1 ZINC001573529797 946678977 /nfs/dbraw/zinc/67/89/77/946678977.db2.gz IUCCMDBTOFUKCM-ZDUSSCGKSA-N -1 0 318.341 -0.612 20 0 DBADRM CC(=O)Nc1nc(Cn2cnc(-c3nnn[n-]3)cc2=O)cs1 ZINC001573548451 946853065 /nfs/dbraw/zinc/85/30/65/946853065.db2.gz LBIBBRWUYLNUNA-UHFFFAOYSA-N -1 0 318.322 -0.113 20 0 DBADRM C[C@H](C(=O)N(C)CCc1ncon1)n1cnc(-c2nnn[n-]2)n1 ZINC001573605001 947519662 /nfs/dbraw/zinc/51/96/62/947519662.db2.gz SBKBYBGPJGHWKD-SSDOTTSWSA-N -1 0 318.301 -0.897 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H]2COC[C@@H]21)n1cnc(-c2nnn[n-]2)n1 ZINC001573638577 947839478 /nfs/dbraw/zinc/83/94/78/947839478.db2.gz QRCHBIWCQUCIHH-BBBLOLIVSA-N -1 0 318.341 -0.343 20 0 DBADRM CC1(C)OCC[C@@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000328203428 971454602 /nfs/dbraw/zinc/45/46/02/971454602.db2.gz GYAUBZVQOKQKAY-VIFPVBQESA-N -1 0 303.340 -0.187 20 0 DBADRM C[C@@H](C(=O)NCC[C@H](O)C(F)F)n1cnc(-c2nnn[n-]2)n1 ZINC001573705249 948396795 /nfs/dbraw/zinc/39/67/95/948396795.db2.gz DPTRZNVBBFXPFQ-WDSKDSINSA-N -1 0 316.272 -0.849 20 0 DBADRM C[C@H](C(=O)NCC[C@@H](O)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001573708052 948440863 /nfs/dbraw/zinc/44/08/63/948440863.db2.gz QQRRMQSXVCYOOQ-VXNVDRBHSA-N -1 0 306.330 -0.704 20 0 DBADRM CC[C@](COC)(NC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC000328488290 971480740 /nfs/dbraw/zinc/48/07/40/971480740.db2.gz MWLJHXNGZSPOER-CYBMUJFWSA-N -1 0 315.326 -0.687 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCCC[C@@H]1O)n1cnc(-c2nnn[n-]2)n1 ZINC001573730179 948577844 /nfs/dbraw/zinc/57/78/44/948577844.db2.gz ZGHCPNRPSLSXRM-AEJSXWLSSA-N -1 0 320.357 -0.314 20 0 DBADRM O=C(Nc1c[nH]nc1-c1nnn[n-]1)[C@]1(F)CCS(=O)(=O)C1 ZINC001570918815 948580649 /nfs/dbraw/zinc/58/06/49/948580649.db2.gz KYHREJUWKPJBOJ-VIFPVBQESA-N -1 0 315.290 -0.945 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)c(C)n2)C1 ZINC001570919263 948586056 /nfs/dbraw/zinc/58/60/56/948586056.db2.gz QQTNLGNHGULJGI-JTQLQIEISA-N -1 0 315.337 -0.079 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CCC[C@@H]1C(N)=O ZINC001570921278 948616849 /nfs/dbraw/zinc/61/68/49/948616849.db2.gz SZPJZDXULKUGGG-MRVPVSSYSA-N -1 0 317.309 -0.634 20 0 DBADRM CC[C@H](C)[C@@](C)(O)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001570922636 948645336 /nfs/dbraw/zinc/64/53/36/948645336.db2.gz LBTTTYXQLYERNS-CPFSXVBKSA-N -1 0 323.357 -0.125 20 0 DBADRM CO[C@@H]([C@@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001570922803 948647071 /nfs/dbraw/zinc/64/70/71/948647071.db2.gz MTAPGCTZXFINFE-MRTMQBJTSA-N -1 0 320.357 -0.051 20 0 DBADRM CO[C@@H]([C@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001570922804 948647409 /nfs/dbraw/zinc/64/74/09/948647409.db2.gz MTAPGCTZXFINFE-NRPADANISA-N -1 0 320.357 -0.051 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)c1cnccn1 ZINC001573741445 948654580 /nfs/dbraw/zinc/65/45/80/948654580.db2.gz AHDYYNDZHWPMRB-HTQZYQBOSA-N -1 0 314.313 -0.313 20 0 DBADRM CC[C@@H](CNS(=O)(=O)c1cc(C(=O)OC)[nH]n1)C(=O)[O-] ZINC001589554506 948776489 /nfs/dbraw/zinc/77/64/89/948776489.db2.gz MZLDIALSEGVMMB-LURJTMIESA-N -1 0 305.312 -0.415 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1)N[C@@H]1CCS(=O)(=O)C1 ZINC000032198596 948800039 /nfs/dbraw/zinc/80/00/39/948800039.db2.gz WVXKGLIIIBSJRF-NXEZZACHSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C(CN1CCCC[C@H]1C(=O)[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC000035298232 948807791 /nfs/dbraw/zinc/80/77/91/948807791.db2.gz VAGYZUUYKBZUGD-ZJUUUORDSA-N -1 0 304.368 -0.771 20 0 DBADRM C[C@@H](C(=O)Nc1cc(CO)ccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001573756361 948812174 /nfs/dbraw/zinc/81/21/74/948812174.db2.gz PEPJCIWOMVAYKZ-ZETCQYMHSA-N -1 0 315.297 -0.455 20 0 DBADRM CC[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccncc1 ZINC001589561727 948821341 /nfs/dbraw/zinc/82/13/41/948821341.db2.gz DZHUIVYZLSDFNV-NWDGAFQWSA-N -1 0 321.333 -0.039 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)CNS(=O)(=O)c1ccccc1 ZINC000036981278 948824307 /nfs/dbraw/zinc/82/43/07/948824307.db2.gz HUUUPSFSCZODCT-VIFPVBQESA-N -1 0 300.336 -0.056 20 0 DBADRM CN(C)C(=O)CN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037656563 948837051 /nfs/dbraw/zinc/83/70/51/948837051.db2.gz PQSXGPLSHARXFV-UHFFFAOYSA-N -1 0 307.372 -0.952 20 0 DBADRM C[C@H](Cn1ccnc1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037656967 948840100 /nfs/dbraw/zinc/84/01/00/948840100.db2.gz XMBFUBQCCBIGOQ-SNVBAGLBSA-N -1 0 316.383 -0.097 20 0 DBADRM CCNC(=O)CN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037838321 948846974 /nfs/dbraw/zinc/84/69/74/948846974.db2.gz FPAYBUYWBWQWJA-UHFFFAOYSA-N -1 0 307.372 -0.904 20 0 DBADRM CC[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)[C@H](O)C(F)F ZINC001589564950 948851241 /nfs/dbraw/zinc/85/12/41/948851241.db2.gz MVIKHHHIZSCKKU-NRPADANISA-N -1 0 322.308 -0.170 20 0 DBADRM COC[C@](C)(CO)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001570932720 948862854 /nfs/dbraw/zinc/86/28/54/948862854.db2.gz WWJPJPVSAZOFJJ-ZDUSSCGKSA-N -1 0 322.325 -0.597 20 0 DBADRM NS(=O)(=O)CCCNC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000045090808 948901626 /nfs/dbraw/zinc/90/16/26/948901626.db2.gz OFKMHCJZPVJEIA-SNVBAGLBSA-N -1 0 321.399 -0.049 20 0 DBADRM CC[C@H](OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC001589576392 948955763 /nfs/dbraw/zinc/95/57/63/948955763.db2.gz DRGKXXFEVLAMFD-VIFPVBQESA-N -1 0 321.289 -0.348 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCCCS(N)(=O)=O)C1 ZINC000062876173 948961487 /nfs/dbraw/zinc/96/14/87/948961487.db2.gz ZRURAOOEVWHWEY-GFCCVEGCSA-N -1 0 321.399 -0.049 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)Nc2cc(C(=O)[O-])n[nH]2)CC1 ZINC000080640288 949009031 /nfs/dbraw/zinc/00/90/31/949009031.db2.gz DDBNWQPZNAQVKT-UHFFFAOYSA-N -1 0 316.339 -0.282 20 0 DBADRM C[C@@H](CCO)CCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001574694725 949093506 /nfs/dbraw/zinc/09/35/06/949093506.db2.gz VFOIZFYVWUGJOR-RKDXNWHRSA-N -1 0 308.346 -0.456 20 0 DBADRM CSc1nc(=O)[nH]c(C)c1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000090275772 949120686 /nfs/dbraw/zinc/12/06/86/949120686.db2.gz UDUVDNWHHZOLMH-LLVKDONJSA-N -1 0 301.324 -0.222 20 0 DBADRM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1ncnn1C ZINC001575251485 949140756 /nfs/dbraw/zinc/14/07/56/949140756.db2.gz NRZFKIFFTHWDMI-BQBZGAKWSA-N -1 0 317.317 -0.975 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)nc1 ZINC001595215204 949210582 /nfs/dbraw/zinc/21/05/82/949210582.db2.gz LXGMSAJWGCGPRM-LLVKDONJSA-N -1 0 317.305 -0.088 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCn3nnc(CO)c3C2)cn1 ZINC001595215440 949217285 /nfs/dbraw/zinc/21/72/85/949217285.db2.gz HBFCVKRHQPHWPR-UHFFFAOYSA-N -1 0 303.278 -0.480 20 0 DBADRM C[C@H]1CCC[C@]1(O)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001576153139 949273228 /nfs/dbraw/zinc/27/32/28/949273228.db2.gz KXCABUOKJZNNMY-CPFSXVBKSA-N -1 0 321.341 -0.371 20 0 DBADRM CC[C@@]1(C)CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001589610086 949310381 /nfs/dbraw/zinc/31/03/81/949310381.db2.gz AEQXIPZHVCTMFR-AWEZNQCLSA-N -1 0 324.337 -0.066 20 0 DBADRM CN1CC[C@@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)CC1=O ZINC001598586701 1017323597 /nfs/dbraw/zinc/32/35/97/1017323597.db2.gz AGVJYVWJUMFCIF-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CC[C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001589615050 949356049 /nfs/dbraw/zinc/35/60/49/949356049.db2.gz GHWBCGXKOOLYJQ-RWSFTLGLSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001575865502 949376758 /nfs/dbraw/zinc/37/67/58/949376758.db2.gz APXUJLDQTTZKAI-HTQZYQBOSA-N -1 0 313.339 -0.149 20 0 DBADRM CC[C@H]1C(=O)N(CC)CCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001589618704 949383704 /nfs/dbraw/zinc/38/37/04/949383704.db2.gz BYQQBIPHIKNFAY-JTQLQIEISA-N -1 0 309.326 -0.554 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@@H]2CCS(=O)(=O)C2)CCOCC1 ZINC000165934950 949439201 /nfs/dbraw/zinc/43/92/01/949439201.db2.gz JQAFUCCGEWXXFU-SECBINFHSA-N -1 0 305.352 -0.581 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])[C@H](C)CO1 ZINC001589624731 949460878 /nfs/dbraw/zinc/46/08/78/949460878.db2.gz MNDWUDVCXUSKLK-ZJUUUORDSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CNC(=O)C(C)(C)C)C(=O)[O-] ZINC000168726538 949470385 /nfs/dbraw/zinc/47/03/85/949470385.db2.gz OUDNWFWDJMVUIS-QMMMGPOBSA-N -1 0 302.327 -0.329 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@@H]1O ZINC001589625240 949471270 /nfs/dbraw/zinc/47/12/70/949471270.db2.gz YYPWXAHDZMHLDC-BDAKNGLRSA-N -1 0 310.310 -0.865 20 0 DBADRM CC[C@@H]1CN([C@H]2CCN(CC(=O)[O-])C2=O)C[C@H](C)S1(=O)=O ZINC001589626492 949482536 /nfs/dbraw/zinc/48/25/36/949482536.db2.gz KWKBHGWUTRUTRW-AXFHLTTASA-N -1 0 318.395 -0.431 20 0 DBADRM C[C@H]1[C@H](CO)CCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001575870345 949490758 /nfs/dbraw/zinc/49/07/58/949490758.db2.gz VBPKNTAIXNCQIJ-IUCAKERBSA-N -1 0 324.366 -0.347 20 0 DBADRM CC[C@@H]1CN(CCS(=O)(=O)CC(=O)[O-])C[C@]2(CCOC2)O1 ZINC001589627058 949499845 /nfs/dbraw/zinc/49/98/45/949499845.db2.gz WPFYSNBZEXXSRS-YPMHNXCESA-N -1 0 321.395 -0.244 20 0 DBADRM CCC[C@@H](OCC)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001589635063 949606856 /nfs/dbraw/zinc/60/68/56/949606856.db2.gz AOJJFBFHGOJMEY-NXEZZACHSA-N -1 0 307.368 -0.098 20 0 DBADRM Cn1nccc1CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000230771799 949732113 /nfs/dbraw/zinc/73/21/13/949732113.db2.gz RCSNKBJCWXFFHU-UHFFFAOYSA-N -1 0 316.383 -0.406 20 0 DBADRM O=C([O-])c1ccnc(NC[C@@]23COCCN2C(=O)COC3)c1 ZINC001595265431 949741297 /nfs/dbraw/zinc/74/12/97/949741297.db2.gz OTELJSGLHGGYFN-AWEZNQCLSA-N -1 0 307.306 -0.181 20 0 DBADRM CNS(=O)(=O)CCNC(=O)Cc1ccccc1C(=O)[O-] ZINC000230986854 949743721 /nfs/dbraw/zinc/74/37/21/949743721.db2.gz MYNKLCPFWLEWOO-UHFFFAOYSA-N -1 0 300.336 -0.407 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCC[C@@H]3CCNC(=O)[C@H]32)cn1 ZINC001595266796 949754620 /nfs/dbraw/zinc/75/46/20/949754620.db2.gz BTKYEXIMWOMTMD-KCJUWKMLSA-N -1 0 304.306 -0.085 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CC(CN3CCOCC3)C2)cn1 ZINC001595267272 949764181 /nfs/dbraw/zinc/76/41/81/949764181.db2.gz MWNLLHWXZBEIMW-UHFFFAOYSA-N -1 0 306.322 -0.421 20 0 DBADRM O=C([O-])c1cnc(C(=O)NC[C@H]2CCCS(=O)(=O)C2)cn1 ZINC001595268377 949789804 /nfs/dbraw/zinc/78/98/04/949789804.db2.gz XTJJQOWKCGIHFP-MRVPVSSYSA-N -1 0 313.335 -0.271 20 0 DBADRM CN(C(=O)c1cc(C(=O)[O-])no1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000379185419 971610729 /nfs/dbraw/zinc/61/07/29/971610729.db2.gz QZQFSQOGYWKBFX-ZETCQYMHSA-N -1 0 317.323 -0.521 20 0 DBADRM CCCN(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)[C@@H]1CCS(=O)(=O)C1 ZINC001589659400 949845098 /nfs/dbraw/zinc/84/50/98/949845098.db2.gz RJQSKZZCARBHLH-SCZZXKLOSA-N -1 0 318.351 -0.358 20 0 DBADRM O=C([O-])c1cncc(NC(=O)c2cnn(C[C@H](O)CO)c2)c1 ZINC001595272829 949854196 /nfs/dbraw/zinc/85/41/96/949854196.db2.gz WQEPEMGZRFTHRS-NSHDSACASA-N -1 0 306.278 -0.418 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)C1CCN(S(=O)(=O)NC)CC1 ZINC001589662573 949876639 /nfs/dbraw/zinc/87/66/39/949876639.db2.gz PIXPAJGOQUKSBJ-UHFFFAOYSA-N -1 0 321.399 -0.514 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)no1 ZINC001589670602 949935242 /nfs/dbraw/zinc/93/52/42/949935242.db2.gz MYIFRCKWUZSLEU-UHFFFAOYSA-N -1 0 306.296 -0.054 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1ccnc3[nH]c(=O)[nH]c31)C2 ZINC001595278059 949947919 /nfs/dbraw/zinc/94/79/19/949947919.db2.gz AZVCYYRBWDEXAQ-WJWGPLDTSA-N -1 0 318.289 -0.163 20 0 DBADRM CCCN(CCO)C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589674300 949972831 /nfs/dbraw/zinc/97/28/31/949972831.db2.gz LTSIUNHNXAWJFR-GHMZBOCLSA-N -1 0 300.355 -0.214 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001595284810 949998346 /nfs/dbraw/zinc/99/83/46/949998346.db2.gz FTQOXMIASUKBPY-VHSXEESVSA-N -1 0 305.290 -0.754 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1)N[C@H]1CCS(=O)(=O)C1 ZINC000251521292 950014764 /nfs/dbraw/zinc/01/47/64/950014764.db2.gz WVXKGLIIIBSJRF-ZJUUUORDSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001595291280 950066075 /nfs/dbraw/zinc/06/60/75/950066075.db2.gz BJBFVTJFOZZZMN-UWVGGRQHSA-N -1 0 320.305 -0.099 20 0 DBADRM O=C([O-])C1CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001595291581 950073065 /nfs/dbraw/zinc/07/30/65/950073065.db2.gz IKTAZHGKARJAHU-VIFPVBQESA-N -1 0 323.309 -0.677 20 0 DBADRM O=C([O-])[C@H]1CCCCN1C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001595292049 950077145 /nfs/dbraw/zinc/07/71/45/950077145.db2.gz KKUXYWIUACZYLF-WCBMZHEXSA-N -1 0 323.309 -0.534 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)cn1 ZINC001595295223 950115552 /nfs/dbraw/zinc/11/55/52/950115552.db2.gz XVKKIKDBLSGNHK-SFYZADRCSA-N -1 0 306.278 -0.255 20 0 DBADRM Cc1cn(C)nc1C(=O)NC[C@@H](C)N(C)Cc1nn(C)c(=O)[n-]1 ZINC001485298688 1013099282 /nfs/dbraw/zinc/09/92/82/1013099282.db2.gz CMFAKRBSSRZIHI-SNVBAGLBSA-N -1 0 321.385 -0.599 20 0 DBADRM O=CN1CCC[C@@H]1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001595295750 950131867 /nfs/dbraw/zinc/13/18/67/950131867.db2.gz DBVRRDRBSSIKGO-WDEREUQCSA-N -1 0 311.338 -0.811 20 0 DBADRM CCN(C(=O)C(=O)Nc1cccc(C(N)=O)n1)[C@@H](C)C(=O)[O-] ZINC001589697370 950180459 /nfs/dbraw/zinc/18/04/59/950180459.db2.gz QHOJEGAGKUJWHC-ZETCQYMHSA-N -1 0 308.294 -0.559 20 0 DBADRM CCCn1nccc1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001589697470 950183309 /nfs/dbraw/zinc/18/33/09/950183309.db2.gz VIJPXXGVMNZPTC-NSHDSACASA-N -1 0 301.368 -0.023 20 0 DBADRM CCN(C(=O)C(=O)Nc1cncnc1N(C)C)[C@@H](C)C(=O)[O-] ZINC001589697958 950194258 /nfs/dbraw/zinc/19/42/58/950194258.db2.gz HVQPLKHDRYQBIQ-QMMMGPOBSA-N -1 0 309.326 -0.197 20 0 DBADRM CCN(C(=O)C(=O)Nc1cn(C)c(=O)cc1C)[C@@H](C)C(=O)[O-] ZINC001589697976 950194682 /nfs/dbraw/zinc/19/46/82/950194682.db2.gz IOLBJDVUPPHLSC-VIFPVBQESA-N -1 0 309.322 -0.046 20 0 DBADRM CCN(C(=O)c1cc(S(N)(=O)=O)cnc1C)[C@H](C)C(=O)[O-] ZINC001589705624 950278848 /nfs/dbraw/zinc/27/88/48/950278848.db2.gz KXXUDAYHZPKKIR-MRVPVSSYSA-N -1 0 315.351 -0.027 20 0 DBADRM CCN(C(=O)c1nc(N)nc(N2CCOCC2)n1)[C@H](C)C(=O)[O-] ZINC001589710486 950316781 /nfs/dbraw/zinc/31/67/81/950316781.db2.gz FRWPZMSEPHUAET-MRVPVSSYSA-N -1 0 324.341 -0.774 20 0 DBADRM CCN([C@H](C)C(=O)[O-])S(=O)(=O)CCS(=O)(=O)N(C)C ZINC001589713441 950346243 /nfs/dbraw/zinc/34/62/43/950346243.db2.gz RAYISUVVIYSURM-MRVPVSSYSA-N -1 0 316.401 -0.997 20 0 DBADRM CCN(C)C(=O)Cn1nnnc1N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001589713834 950356176 /nfs/dbraw/zinc/35/61/76/950356176.db2.gz PASWCZYKWRZLQS-VHSXEESVSA-N -1 0 310.358 -0.302 20 0 DBADRM CCN(C)C(=O)c1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC001589715167 950369811 /nfs/dbraw/zinc/36/98/11/950369811.db2.gz OHSWPHQYPCXDMB-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589718796 950384209 /nfs/dbraw/zinc/38/42/09/950384209.db2.gz DVTCSXCCYIOSSS-UHFFFAOYSA-N -1 0 322.321 -0.345 20 0 DBADRM CC(C)(C)OC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001573860673 950427456 /nfs/dbraw/zinc/42/74/56/950427456.db2.gz LSSNCXFAOVYTQG-UHFFFAOYSA-N -1 0 323.313 -0.346 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000380066414 971673039 /nfs/dbraw/zinc/67/30/39/971673039.db2.gz GUEKEYJAEONDNV-RNFRBKRXSA-N -1 0 314.310 -0.365 20 0 DBADRM CCN(Cc1ccncc1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001589740438 950579198 /nfs/dbraw/zinc/57/91/98/950579198.db2.gz KEOAXKAOFZABEX-LBPRGKRZSA-N -1 0 321.333 -0.258 20 0 DBADRM CCN1C(=O)[C@H]2CN(Cc3cc(C(=O)[O-])nn3C)CCN2C1=O ZINC001589740452 950580331 /nfs/dbraw/zinc/58/03/31/950580331.db2.gz UKQCAKZXHGGQKL-LLVKDONJSA-N -1 0 321.337 -0.413 20 0 DBADRM CCN(Cc1ccccn1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001589740563 950582145 /nfs/dbraw/zinc/58/21/45/950582145.db2.gz VYMHXXLDMHXUKG-LBPRGKRZSA-N -1 0 321.333 -0.258 20 0 DBADRM CCN1CC[C@H](n2nnnc2N2CC[C@@](C)(C(=O)[O-])C2)C1=O ZINC001589741755 950611856 /nfs/dbraw/zinc/61/18/56/950611856.db2.gz WGOMGMYIEZTELO-TVQRCGJNSA-N -1 0 308.342 -0.233 20 0 DBADRM CCN1CC[C@H](n2nnnc2N2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC001589741758 950612020 /nfs/dbraw/zinc/61/20/20/950612020.db2.gz WGOMGMYIEZTELO-ZANVPECISA-N -1 0 308.342 -0.233 20 0 DBADRM CCN1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)CC1=O ZINC001589743974 950639339 /nfs/dbraw/zinc/63/93/39/950639339.db2.gz HCOZWZVIMGWMKZ-UHFFFAOYSA-N -1 0 307.306 -0.763 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC[C@H]2CCC=CO2)cn1 ZINC000380146030 971680727 /nfs/dbraw/zinc/68/07/27/971680727.db2.gz QWMPVNAOEFTIEY-SECBINFHSA-N -1 0 301.324 -0.061 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC[C@@H]2CCC=CO2)cn1 ZINC000380146032 971681064 /nfs/dbraw/zinc/68/10/64/971681064.db2.gz QWMPVNAOEFTIEY-VIFPVBQESA-N -1 0 301.324 -0.061 20 0 DBADRM CCN1CCN(CC(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(=O)C1=O ZINC001589744683 950664585 /nfs/dbraw/zinc/66/45/85/950664585.db2.gz ZHOMSBWERUWWJV-NXEZZACHSA-N -1 0 311.338 -0.859 20 0 DBADRM CCN1CCOC[C@H]1C(=O)N(CCC(=O)OC)CC(=O)[O-] ZINC001589881881 950685268 /nfs/dbraw/zinc/68/52/68/950685268.db2.gz DLBFEBJDQPIXAV-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001589882349 950694104 /nfs/dbraw/zinc/69/41/04/950694104.db2.gz OAHYJUIVBNDDTO-RISCZKNCSA-N -1 0 300.355 -0.343 20 0 DBADRM C[C@@H](CNC(=O)c1cc[nH]c1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575005829 950705852 /nfs/dbraw/zinc/70/58/52/950705852.db2.gz NWVOHBIBWKDDKA-QMMMGPOBSA-N -1 0 313.325 -0.363 20 0 DBADRM CCNC(=O)CCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589883944 950707941 /nfs/dbraw/zinc/70/79/41/950707941.db2.gz STXNFIQHTZAZGO-SNVBAGLBSA-N -1 0 313.354 -0.515 20 0 DBADRM C[C@@H](CC(C)(C)O)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001574520449 950729812 /nfs/dbraw/zinc/72/98/12/950729812.db2.gz RXWPKMOEQXWFDL-QMMMGPOBSA-N -1 0 323.361 -0.693 20 0 DBADRM CCOC(=O)[C@@H](COC)N(C(=O)[C@H](OC)C(=O)[O-])C1CC1 ZINC001590128770 950789902 /nfs/dbraw/zinc/78/99/02/950789902.db2.gz AUHOLXNTHRCOEH-ZJUUUORDSA-N -1 0 303.311 -0.345 20 0 DBADRM CC(C)CC[C@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001574185204 950792656 /nfs/dbraw/zinc/79/26/56/950792656.db2.gz UHOHOOCAMRVSGO-MRVPVSSYSA-N -1 0 323.357 -0.125 20 0 DBADRM O=C([O-])CC1(C(=O)N2C[C@H](CCO)[C@H](CO)C2)CCOCC1 ZINC001594972809 950873832 /nfs/dbraw/zinc/87/38/32/950873832.db2.gz YLCLDUNHRRRGGY-RYUDHWBXSA-N -1 0 315.366 -0.293 20 0 DBADRM O=C([O-])CC1(C(=O)N2CCN3C(=O)N=NC3C2)CCOCC1 ZINC001594973124 950882886 /nfs/dbraw/zinc/88/28/86/950882886.db2.gz LRBZDINOSMGDEN-UHFFFAOYSA-N -1 0 310.310 -0.403 20 0 DBADRM CCOC(=O)[C@@H]1CCCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001590208357 950884769 /nfs/dbraw/zinc/88/47/69/950884769.db2.gz JLAWUMBPLSJCBG-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM COc1cc(=NS(=O)(=O)c2n[nH]cc2C(=O)[O-])[nH]n1C ZINC000380461514 971700956 /nfs/dbraw/zinc/70/09/56/971700956.db2.gz ROIXREUMSSNMOD-UHFFFAOYSA-N -1 0 301.284 -0.927 20 0 DBADRM CCOC(=O)[C@H]1CSCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001590346899 950912972 /nfs/dbraw/zinc/91/29/72/950912972.db2.gz OTMIOLDPRGLTAY-HTQZYQBOSA-N -1 0 302.308 -0.320 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)[C@@H](OC)C(=O)[O-])CC12COC2 ZINC001590347498 950917034 /nfs/dbraw/zinc/91/70/34/950917034.db2.gz ULOIRYPWVAMSNT-DTWKUNHWSA-N -1 0 301.295 -0.876 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)[C@H](OC)C(=O)[O-])CC12COC2 ZINC001590347492 950917868 /nfs/dbraw/zinc/91/78/68/950917868.db2.gz ULOIRYPWVAMSNT-BDAKNGLRSA-N -1 0 301.295 -0.876 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)COCC(=O)[O-])CC12COC2 ZINC001590347849 950919935 /nfs/dbraw/zinc/91/99/35/950919935.db2.gz XPIHRXPDLVUORT-SECBINFHSA-N -1 0 301.295 -0.874 20 0 DBADRM CCOC(=O)CC(=O)CSCCS(=O)(=O)CC(=O)[O-] ZINC001590347925 950921585 /nfs/dbraw/zinc/92/15/85/950921585.db2.gz YTJSZPSAKCBVHT-UHFFFAOYSA-N -1 0 312.365 -0.259 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)Cc1ccccc1C(=O)[O-] ZINC001590648355 950962321 /nfs/dbraw/zinc/96/23/21/950962321.db2.gz JIGWUNFUCAYSLK-UHFFFAOYSA-N -1 0 322.317 -0.196 20 0 DBADRM CCOC(=O)CN(CC)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001590648630 950971141 /nfs/dbraw/zinc/97/11/41/950971141.db2.gz XUEGEIIRLWPKPA-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000380573514 971706446 /nfs/dbraw/zinc/70/64/46/971706446.db2.gz IKNSFWIMEBRTJJ-MRVPVSSYSA-N -1 0 320.348 -0.755 20 0 DBADRM CCOC(=O)Cn1cnc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)n1 ZINC001590728027 950987085 /nfs/dbraw/zinc/98/70/85/950987085.db2.gz AMVWETHGMHZCBQ-ZKCHVHJHSA-N -1 0 311.298 -0.174 20 0 DBADRM CC1(C)[C@H](O)CCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000380563709 971706583 /nfs/dbraw/zinc/70/65/83/971706583.db2.gz AJTDOIZGSIGNOW-SECBINFHSA-N -1 0 303.340 -0.498 20 0 DBADRM Cn1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])ccc1=O ZINC000321935325 951022312 /nfs/dbraw/zinc/02/23/12/951022312.db2.gz DEYDPTIHKFRFFL-LBPRGKRZSA-N -1 0 317.301 -0.088 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C2=NN(CCO)C(=O)CC2)C1 ZINC001594987515 951026682 /nfs/dbraw/zinc/02/66/82/951026682.db2.gz DXATUNYDIFPLQE-SNVBAGLBSA-N -1 0 311.338 -0.330 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](CO)C2)C1 ZINC001594987948 951030559 /nfs/dbraw/zinc/03/05/59/951030559.db2.gz PTBPMRYNZOGFOQ-NWDGAFQWSA-N -1 0 312.366 -0.069 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000322949481 951039718 /nfs/dbraw/zinc/03/97/18/951039718.db2.gz RFXDRDBNNJWHCS-TVQRCGJNSA-N -1 0 301.343 -0.356 20 0 DBADRM CCOC(=O)[C@@H]1[C@@H]2CCN(CCS(=O)(=O)CC(=O)[O-])C[C@@H]21 ZINC001591006124 951043036 /nfs/dbraw/zinc/04/30/36/951043036.db2.gz VHEHJJIXFVHDGU-JFGNBEQYSA-N -1 0 319.379 -0.383 20 0 DBADRM CCOC(=O)c1cnc(C)c(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC001591268381 951099914 /nfs/dbraw/zinc/09/99/14/951099914.db2.gz BFHHZUHECHWPPY-UHFFFAOYSA-N -1 0 309.278 -0.294 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001591268957 951103941 /nfs/dbraw/zinc/10/39/41/951103941.db2.gz PTTGXGMJWVGOJH-KNVOCYPGSA-N -1 0 317.323 -0.272 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NCC(=O)N2CCCO2)CO1 ZINC001595000759 951120909 /nfs/dbraw/zinc/12/09/09/951120909.db2.gz GLHTYCPOMINVBT-VHSXEESVSA-N -1 0 300.311 -0.464 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CCC(O)(CO)CC2)CO1 ZINC001595000936 951122733 /nfs/dbraw/zinc/12/27/33/951122733.db2.gz NVMUCGRASNXNKE-WDEREUQCSA-N -1 0 301.339 -0.398 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NC[C@@H](O)Cn2ccnn2)CO1 ZINC001595002373 951148600 /nfs/dbraw/zinc/14/86/00/951148600.db2.gz UEMJQADQZHUOLM-GMTAPVOTSA-N -1 0 312.326 -0.975 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)NCc2nc(O)cc(=O)[nH]2)CO1 ZINC001595004896 951185639 /nfs/dbraw/zinc/18/56/39/951185639.db2.gz LLRKNOWCWHBICT-YUMQZZPRSA-N -1 0 311.294 -0.226 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000380393842 951188566 /nfs/dbraw/zinc/18/85/66/951188566.db2.gz NZCGVSSQCCXYLD-UHFFFAOYSA-N -1 0 302.312 -0.886 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001591765465 951223254 /nfs/dbraw/zinc/22/32/54/951223254.db2.gz XTQXANRPFYSBLZ-HBNTYKKESA-N -1 0 302.327 -0.325 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001591877600 951234585 /nfs/dbraw/zinc/23/45/85/951234585.db2.gz PUQDNUJSPSXPFT-DTWKUNHWSA-N -1 0 302.283 -0.748 20 0 DBADRM CCOCCONC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001591976491 951248192 /nfs/dbraw/zinc/24/81/92/951248192.db2.gz BKWDCZPDBIBLMY-JTQLQIEISA-N -1 0 317.342 -0.281 20 0 DBADRM CCOCCO[C@H]1CCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001591976645 951249827 /nfs/dbraw/zinc/24/98/27/951249827.db2.gz GHUFBPSMDOOECX-JTQLQIEISA-N -1 0 312.326 -0.370 20 0 DBADRM CCOCCS(=O)(=O)NCc1nc([C@@H](C)C(=O)[O-])no1 ZINC001591977526 951253810 /nfs/dbraw/zinc/25/38/10/951253810.db2.gz VWTXZEVIVKWHRO-SSDOTTSWSA-N -1 0 307.328 -0.286 20 0 DBADRM CCON(C)C(=O)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001591997338 951267702 /nfs/dbraw/zinc/26/77/02/951267702.db2.gz LIOCCDZDDLXTHT-UHFFFAOYSA-N -1 0 323.371 -0.973 20 0 DBADRM CCO[C@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001592003855 951285056 /nfs/dbraw/zinc/28/50/56/951285056.db2.gz JIZLTDKMPOJXQN-AOOOYVTPSA-N -1 0 319.379 -0.050 20 0 DBADRM O=C([O-])CCCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001595025273 951343969 /nfs/dbraw/zinc/34/39/69/951343969.db2.gz HWIQXCCEOBDOIO-LLVKDONJSA-N -1 0 318.395 -0.427 20 0 DBADRM O=C([O-])CCCC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001595025379 951345294 /nfs/dbraw/zinc/34/52/94/951345294.db2.gz KPTQQBDEXBCNGL-GFCCVEGCSA-N -1 0 305.352 -0.343 20 0 DBADRM CCOc1ccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC001592691574 951350982 /nfs/dbraw/zinc/35/09/82/951350982.db2.gz MYMXLLJIADLPKD-AWEZNQCLSA-N -1 0 310.306 -0.024 20 0 DBADRM C[C@@H](CNC(=O)c1cn[nH]c1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575043135 951382860 /nfs/dbraw/zinc/38/28/60/951382860.db2.gz GBLIHTCLXXXAOI-ZETCQYMHSA-N -1 0 314.313 -0.968 20 0 DBADRM O=C([O-])CCCCCNC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001595036786 951406766 /nfs/dbraw/zinc/40/67/66/951406766.db2.gz DUQXHQMCPXXTLD-GHMZBOCLSA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])CCCCCNC(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001595036789 951406798 /nfs/dbraw/zinc/40/67/98/951406798.db2.gz DUQXHQMCPXXTLD-QWRGUYRKSA-N -1 0 313.354 -0.070 20 0 DBADRM CCNC(=O)NCCNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000381161983 971743562 /nfs/dbraw/zinc/74/35/62/971743562.db2.gz NBABBQGKVFJVHY-UHFFFAOYSA-N -1 0 322.368 -0.561 20 0 DBADRM CCS(=O)(=O)C1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001593123075 951409580 /nfs/dbraw/zinc/40/95/80/951409580.db2.gz MQLSTUPDKPFFJR-JTQLQIEISA-N -1 0 318.351 -0.358 20 0 DBADRM O=C([O-])CCCCCNC(=O)NCc1nnc2n1CCNC2=O ZINC001595038601 951415493 /nfs/dbraw/zinc/41/54/93/951415493.db2.gz PCFIGOFESFATLI-UHFFFAOYSA-N -1 0 324.341 -0.534 20 0 DBADRM CCS(=O)(=O)CCCCCN1CCN(C(=O)C(=O)[O-])CC1 ZINC001593277843 951421880 /nfs/dbraw/zinc/42/18/80/951421880.db2.gz VSFCBBBTAUWZCT-UHFFFAOYSA-N -1 0 320.411 -0.180 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCc2n[nH]c(=O)cc2C1 ZINC001595040925 951422111 /nfs/dbraw/zinc/42/21/11/951422111.db2.gz FTPBZCIMYNJDJG-UHFFFAOYSA-N -1 0 322.321 -0.562 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC001595041060 951423555 /nfs/dbraw/zinc/42/35/55/951423555.db2.gz MHPFZUNCPLWIAG-SECBINFHSA-N -1 0 311.338 -0.763 20 0 DBADRM CC(C)C(=O)NCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000393048393 951429754 /nfs/dbraw/zinc/42/97/54/951429754.db2.gz DPGZQHCMUWARMY-UHFFFAOYSA-N -1 0 321.399 -0.610 20 0 DBADRM O=C([O-])CCCCNC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001595043029 951430309 /nfs/dbraw/zinc/43/03/09/951430309.db2.gz HVAPHKHFFKPHRK-NSHDSACASA-N -1 0 308.356 -0.910 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(N)=O ZINC000394394314 951451855 /nfs/dbraw/zinc/45/18/55/951451855.db2.gz CIZGPBHFMRJYJY-LLVKDONJSA-N -1 0 307.372 -0.729 20 0 DBADRM O=C([O-])CCCNC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001595049288 951462450 /nfs/dbraw/zinc/46/24/50/951462450.db2.gz BGQSQZSZMIUYLG-LBPRGKRZSA-N -1 0 320.367 -0.550 20 0 DBADRM O=C([O-])CCN(C(=O)[C@@H]1CCS(=O)(=O)C1)C1CCOCC1 ZINC001595053499 951483625 /nfs/dbraw/zinc/48/36/25/951483625.db2.gz RXIAOMQXTYLBNI-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CC[C@H](O)[C@@H](CO)C2)CCOCC1 ZINC000396826980 951489393 /nfs/dbraw/zinc/48/93/93/951489393.db2.gz NRDCVFQETXVXLZ-MNOVXSKESA-N -1 0 316.354 -0.748 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001595055979 951498566 /nfs/dbraw/zinc/49/85/66/951498566.db2.gz MFRXICDJLMGWSM-SECBINFHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC001595055928 951499200 /nfs/dbraw/zinc/49/92/00/951499200.db2.gz LGPMJDVMRWQBEC-RNCFNFMXSA-N -1 0 300.311 -0.968 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001595056137 951501646 /nfs/dbraw/zinc/50/16/46/951501646.db2.gz PMURRKOBBDOBLI-BQBZGAKWSA-N -1 0 312.244 -0.197 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccn(C2CCOCC2)n1 ZINC001595057636 951505383 /nfs/dbraw/zinc/50/53/83/951505383.db2.gz YAJXLILNPOFYET-UHFFFAOYSA-N -1 0 310.310 -0.236 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC001595057611 951506042 /nfs/dbraw/zinc/50/60/42/951506042.db2.gz SBJABAGBINTOLS-UHFFFAOYSA-N -1 0 305.290 -0.047 20 0 DBADRM O=C([O-])CCc1cccc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)c1 ZINC001595063431 951524121 /nfs/dbraw/zinc/52/41/21/951524121.db2.gz YNMZHKIGJIXNSM-TXEJJXNPSA-N -1 0 322.317 -0.794 20 0 DBADRM O=C([O-])CCNS(=O)(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001595063553 951525044 /nfs/dbraw/zinc/52/50/44/951525044.db2.gz CRJCUTYCMCKSOG-UHFFFAOYSA-N -1 0 300.292 -0.230 20 0 DBADRM CC[C@@](COC)(NS(=O)(=O)c1cnn(C)c1C)C(=O)[O-] ZINC000381314065 971753849 /nfs/dbraw/zinc/75/38/49/971753849.db2.gz QQRKWNZWYTYRDS-NSHDSACASA-N -1 0 305.356 -0.113 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC[C@H]([C@@H](O)C(F)(F)F)C2)C1=O ZINC001595072152 951603810 /nfs/dbraw/zinc/60/38/10/951603810.db2.gz NRUBXUMLSYKLIU-OYNCUSHFSA-N -1 0 310.272 -0.083 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000398827892 951611480 /nfs/dbraw/zinc/61/14/80/951611480.db2.gz GUZYBYOFNLZYGZ-VWYCJHECSA-N -1 0 318.395 -0.668 20 0 DBADRM CC[C@@H](CNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400189246 951645267 /nfs/dbraw/zinc/64/52/67/951645267.db2.gz KYWDKMJGCDGVEP-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)C2(CF)CCOCC2)C1=O ZINC001595081189 951679929 /nfs/dbraw/zinc/67/99/29/951679929.db2.gz OUQMNHMYXTWYKT-VIFPVBQESA-N -1 0 303.286 -0.019 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@@H](CO)c2ccccn2)C1=O ZINC001595082218 951693695 /nfs/dbraw/zinc/69/36/95/951693695.db2.gz DGYLFRGXSZRZOK-JQWIXIFHSA-N -1 0 321.333 -0.446 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)c2cnn3ccncc23)C1=O ZINC001595082702 951701274 /nfs/dbraw/zinc/70/12/74/951701274.db2.gz UCSHEAUTTXUJLE-JTQLQIEISA-N -1 0 304.262 -0.428 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)c2ccc3n[nH]c(=O)n3c2)C1=O ZINC001595082789 951701812 /nfs/dbraw/zinc/70/18/12/951701812.db2.gz WMVVUSNQUINWGV-MRVPVSSYSA-N -1 0 320.261 -0.723 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@@H](CO)CC2CCC2)C1=O ZINC001595085912 951727255 /nfs/dbraw/zinc/72/72/55/951727255.db2.gz XETVMGMVRHNUCA-NEPJUHHUSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@H](CO)CC2CCC2)C1=O ZINC001595085913 951727406 /nfs/dbraw/zinc/72/74/06/951727406.db2.gz XETVMGMVRHNUCA-NWDGAFQWSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@@H]2CCc3cncn3C2)C1=O ZINC001595085903 951727540 /nfs/dbraw/zinc/72/75/40/951727540.db2.gz XAXPGFFQAGGAQN-ZYHUDNBSSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)O[C@@H]2CC(=O)N(C3CC3)C2)C1=O ZINC001595087717 951749455 /nfs/dbraw/zinc/74/94/55/951749455.db2.gz RBDDSVIMVOWJMP-MNOVXSKESA-N -1 0 324.333 -0.384 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@@H](c3nnc[nH]3)C2)C1=O ZINC001595087819 951751265 /nfs/dbraw/zinc/75/12/65/951751265.db2.gz YTIARCWQSXBKGG-ZJUUUORDSA-N -1 0 321.337 -0.556 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1=O ZINC001595089432 951758050 /nfs/dbraw/zinc/75/80/50/951758050.db2.gz DMPHIDZQDXMQGX-NXEZZACHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)C[C@H]2COC(=O)C2)C1=O ZINC001595089942 951762813 /nfs/dbraw/zinc/76/28/13/951762813.db2.gz JNANSHMTQPFJCV-ZJUUUORDSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](N2C(=O)N[C@H](CCF)C2=O)C1=O ZINC001595091900 951784828 /nfs/dbraw/zinc/78/48/28/951784828.db2.gz GKYIYQYRAYLWRQ-RKDXNWHRSA-N -1 0 315.301 -0.268 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NCc2ccon2)C1=O ZINC001595093215 951798050 /nfs/dbraw/zinc/79/80/50/951798050.db2.gz HBGXGPSTFQAJOG-SNVBAGLBSA-N -1 0 310.310 -0.061 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)c2ns[nH]c2=O)C1=O ZINC001595097105 951826377 /nfs/dbraw/zinc/82/63/77/951826377.db2.gz WDCXTCGHFMTISB-ZCFIWIBFSA-N -1 0 314.323 -0.561 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)c2ccnc(CO)c2)C1=O ZINC001595097039 951826568 /nfs/dbraw/zinc/82/65/68/951826568.db2.gz UTCBCHLPENFREB-GFCCVEGCSA-N -1 0 321.333 -0.231 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cnn(-c2cccnc2)c1 ZINC001595099330 951848409 /nfs/dbraw/zinc/84/84/09/951848409.db2.gz STSXDTQOHIFRRI-UHFFFAOYSA-N -1 0 304.262 -0.375 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001595100013 951850660 /nfs/dbraw/zinc/85/06/60/951850660.db2.gz JZNAVMXRDVQAEI-UHFFFAOYSA-N -1 0 304.262 -0.171 20 0 DBADRM O=C([O-])COCC(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC001595105631 951876107 /nfs/dbraw/zinc/87/61/07/951876107.db2.gz IIFRZUREVAANQT-NWDGAFQWSA-N -1 0 321.333 -0.535 20 0 DBADRM O=C([O-])COCC(=O)OCC(=O)NC(=O)Nc1ccccc1 ZINC001595110969 951905974 /nfs/dbraw/zinc/90/59/74/951905974.db2.gz OXBKUZXCPBPDTN-UHFFFAOYSA-N -1 0 310.262 -0.021 20 0 DBADRM O=C([O-])COCCNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001595111970 951909757 /nfs/dbraw/zinc/90/97/57/951909757.db2.gz FTOUUXHUHPQSMN-RQJHMYQMSA-N -1 0 312.244 -0.482 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCOC[C@@H]1CC1CC1 ZINC001595111980 951910153 /nfs/dbraw/zinc/91/01/53/951910153.db2.gz GCPKFHGEZLOWGT-NSHDSACASA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])COCCOCCNC(=O)C1=CS(=O)(=O)CCC1 ZINC001595112984 951920307 /nfs/dbraw/zinc/92/03/07/951920307.db2.gz RJZUWTHVCCRNKM-UHFFFAOYSA-N -1 0 321.351 -0.687 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CC(=O)N(C2CC2)C1 ZINC001595113081 951921143 /nfs/dbraw/zinc/92/11/43/951921143.db2.gz WNGACDMTMHYCLF-UHFFFAOYSA-N -1 0 315.326 -0.922 20 0 DBADRM O=C([O-])COCCNC(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC001595113479 951925666 /nfs/dbraw/zinc/92/56/66/951925666.db2.gz AAWNQRFXRRODTP-JGVFFNPUSA-N -1 0 314.260 -0.100 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCN(c2cccnn2)CC1 ZINC001595113494 951925739 /nfs/dbraw/zinc/92/57/39/951925739.db2.gz CFDAPVYEFSLCBK-UHFFFAOYSA-N -1 0 309.326 -0.591 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC001595114151 951933951 /nfs/dbraw/zinc/93/39/51/951933951.db2.gz RYLTUEYXXDHTDE-TXEJJXNPSA-N -1 0 318.370 -0.046 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001595114705 951937115 /nfs/dbraw/zinc/93/71/15/951937115.db2.gz GJTXYHYLLGIJAF-UHFFFAOYSA-N -1 0 324.293 -0.718 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1csc(CO)n1 ZINC001595116835 951947752 /nfs/dbraw/zinc/94/77/52/951947752.db2.gz RPRBKXLRIRLRNW-UHFFFAOYSA-N -1 0 304.324 -0.517 20 0 DBADRM O=C([O-])COc1cccc(C(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC001595122696 951980809 /nfs/dbraw/zinc/98/08/09/951980809.db2.gz UAMRDDFZMNSTSN-ZDUSSCGKSA-N -1 0 319.361 -0.120 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CC[C@H](NC(=O)NC2CC2)C1 ZINC001595123611 951988906 /nfs/dbraw/zinc/98/89/06/951988906.db2.gz KGTKIHJVBOTZKP-JTQLQIEISA-N -1 0 319.383 -0.978 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CCC(N)=O ZINC000381979034 971792898 /nfs/dbraw/zinc/79/28/98/971792898.db2.gz ZBKOCKVATOKIFI-UHFFFAOYSA-N -1 0 316.335 -0.111 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC(O[C@H]2CCOC2)CC1 ZINC001595123843 951992670 /nfs/dbraw/zinc/99/26/70/951992670.db2.gz QVRLDCCKTDCBPA-LBPRGKRZSA-N -1 0 321.395 -0.244 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC[C@H](C2OCCO2)C1 ZINC001595123925 951993645 /nfs/dbraw/zinc/99/36/45/951993645.db2.gz HAWUBOXVJXVPNS-JTQLQIEISA-N -1 0 307.368 -0.429 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC(O)(C(F)F)CC1 ZINC001595124164 951997541 /nfs/dbraw/zinc/99/75/41/951997541.db2.gz ZEEJCCNVZLEYGB-UHFFFAOYSA-N -1 0 301.311 -0.422 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCCN(C(=O)C2CC2)CC1 ZINC001595124429 952000374 /nfs/dbraw/zinc/00/03/74/952000374.db2.gz QOJXZCMPHJFQQP-UHFFFAOYSA-N -1 0 318.395 -0.570 20 0 DBADRM O=C([O-])CSCC(=O)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001595125235 952008956 /nfs/dbraw/zinc/00/89/56/952008956.db2.gz MCBZVKPJLIWALD-JTQLQIEISA-N -1 0 314.367 -0.248 20 0 DBADRM O=C([O-])CS(=O)(=O)CCNCc1cnc2n1CCOC2 ZINC001595125495 952013724 /nfs/dbraw/zinc/01/37/24/952013724.db2.gz XNSSFHJBHSLUDG-UHFFFAOYSA-N -1 0 303.340 -0.998 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@@H](CO)c2ccccc2)nn1 ZINC001595141536 952082821 /nfs/dbraw/zinc/08/28/21/952082821.db2.gz GTVOGIGPLKIVPP-NSHDSACASA-N -1 0 304.306 -0.131 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC[C@@H]3CCNC(=O)[C@@H]32)nn1 ZINC001595141572 952082826 /nfs/dbraw/zinc/08/28/26/952082826.db2.gz BILLUERCJKJMFV-LDYMZIIASA-N -1 0 307.310 -0.897 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@@H](CO)Cc2ccccc2)nn1 ZINC001595142360 952090178 /nfs/dbraw/zinc/09/01/78/952090178.db2.gz LREGEZLFBMGYDX-LLVKDONJSA-N -1 0 304.306 -0.304 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@H](CO)Cc2ccccc2)nn1 ZINC001595142364 952090461 /nfs/dbraw/zinc/09/04/61/952090461.db2.gz LREGEZLFBMGYDX-NSHDSACASA-N -1 0 304.306 -0.304 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@H]2CN(c3ccccc3)C2=O)nn1 ZINC001595142428 952091481 /nfs/dbraw/zinc/09/14/81/952091481.db2.gz MJTZXAWKLOFLME-NSHDSACASA-N -1 0 315.289 -0.492 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)nn1 ZINC001595143122 952096434 /nfs/dbraw/zinc/09/64/34/952096434.db2.gz UTWLOAWUGVAJND-NEPJUHHUSA-N -1 0 323.353 -0.966 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)nn1 ZINC001595143123 952096564 /nfs/dbraw/zinc/09/65/64/952096564.db2.gz UTWLOAWUGVAJND-NWDGAFQWSA-N -1 0 323.353 -0.966 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)[C@@H]2CCCS(=O)(=O)C2)cn1 ZINC001595145928 952113053 /nfs/dbraw/zinc/11/30/53/952113053.db2.gz OTXQDISKRYIRQC-MRVPVSSYSA-N -1 0 301.324 -0.269 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CCC[C@H](CCO)C2)n1 ZINC001595147951 952123501 /nfs/dbraw/zinc/12/35/01/952123501.db2.gz LTGIGUSCFNYCPI-SNVBAGLBSA-N -1 0 324.337 -0.473 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCCN2CC=CCC2)n1 ZINC001595151432 952135209 /nfs/dbraw/zinc/13/52/09/952135209.db2.gz XGQQACRJXUYNTD-UHFFFAOYSA-N -1 0 321.337 -0.716 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCc2ncccc2O)n1 ZINC001595151387 952135564 /nfs/dbraw/zinc/13/55/64/952135564.db2.gz TZHRNKYGVANRFY-UHFFFAOYSA-N -1 0 319.277 -0.677 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CC(F)(F)C[C@@H]2CO)c1=O ZINC001595152566 952145739 /nfs/dbraw/zinc/14/57/39/952145739.db2.gz BCPHFBNOXROCFE-MRVPVSSYSA-N -1 0 316.260 -0.225 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CC(=O)N(CC3CC3)C2)c1=O ZINC001595152509 952145849 /nfs/dbraw/zinc/14/58/49/952145849.db2.gz AAWAHBDHKBKASX-UHFFFAOYSA-N -1 0 319.317 -0.415 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CC(N3CCOCC3)C2)c1=O ZINC001595152679 952147038 /nfs/dbraw/zinc/14/70/38/952147038.db2.gz FJLZZEVOVZMUON-UHFFFAOYSA-N -1 0 321.333 -0.911 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCOC[C@]23CCOC3)c1=O ZINC001595154510 952157953 /nfs/dbraw/zinc/15/79/53/952157953.db2.gz NRGUKOPXELJPDM-OAHLLOKOSA-N -1 0 322.317 -0.436 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CC[C@@](O)(C3CC3)C2)c1=O ZINC001595154829 952159106 /nfs/dbraw/zinc/15/91/06/952159106.db2.gz OYRVUPCCPHHVCN-HNNXBMFYSA-N -1 0 306.318 -0.080 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NC[C@@H](CO)[C@H]2CCOC2)c1=O ZINC001595154763 952159157 /nfs/dbraw/zinc/15/91/57/952159157.db2.gz KWLRIHCDAOPTQT-QWRGUYRKSA-N -1 0 324.333 -0.692 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@H]2CCCC23OCCO3)c1=O ZINC001595155161 952162214 /nfs/dbraw/zinc/16/22/14/952162214.db2.gz PNCYWDUOAJZRAJ-LLVKDONJSA-N -1 0 322.317 -0.042 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CC[C@H](C3OCCO3)C2)c1=O ZINC001595155245 952162646 /nfs/dbraw/zinc/16/26/46/952162646.db2.gz UHMFBJIVYHCUMA-JTQLQIEISA-N -1 0 322.317 -0.232 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCN(C3CC3)CC2)c1=O ZINC001595155620 952165362 /nfs/dbraw/zinc/16/53/62/952165362.db2.gz ZWFPVGRYLAEXII-UHFFFAOYSA-N -1 0 305.334 -0.147 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)[C@@H]2CCc3ncncc3C2)n1 ZINC001595158092 952176916 /nfs/dbraw/zinc/17/69/16/952176916.db2.gz LTUUFUSFMHRBAP-MRVPVSSYSA-N -1 0 302.294 -0.104 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)O[C@H]2CCN(C3CC3)C2=O)c1=O ZINC001595158184 952177895 /nfs/dbraw/zinc/17/78/95/952177895.db2.gz GBOILTMCMSYONF-NSHDSACASA-N -1 0 320.301 -0.147 20 0 DBADRM O=C([O-])[C@@H]1CCCCN1C(=O)CCN1C(=O)CCNC1=S ZINC001595161248 952197909 /nfs/dbraw/zinc/19/79/09/952197909.db2.gz OGKWFELBSGPTOV-VIFPVBQESA-N -1 0 313.379 -0.051 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC(F)(F)C[C@H]2CO)C1 ZINC001595162559 952200313 /nfs/dbraw/zinc/20/03/13/952200313.db2.gz JBYMHJNIKCMVQM-BDAKNGLRSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCCn2nncc2C1 ZINC001595168385 952213956 /nfs/dbraw/zinc/21/39/56/952213956.db2.gz ITYXCUKNXOHHPQ-JTQLQIEISA-N -1 0 315.355 -0.722 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC1(CO)CCOCC1 ZINC001595168899 952216389 /nfs/dbraw/zinc/21/63/89/952216389.db2.gz AZHRTATURGRCFN-JTQLQIEISA-N -1 0 322.383 -0.841 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001595169484 952220604 /nfs/dbraw/zinc/22/06/04/952220604.db2.gz PGJUAQVIJOCRCJ-GMXVVIOVSA-N -1 0 318.395 -0.125 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1C[C@H](O)C12CCC2 ZINC001595169940 952222534 /nfs/dbraw/zinc/22/25/34/952222534.db2.gz YAOMJWFGECWBRL-AEJSXWLSSA-N -1 0 304.368 -0.327 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC001595173277 952228138 /nfs/dbraw/zinc/22/81/38/952228138.db2.gz VHZMZLXSUKXSLZ-LNFKQOIKSA-N -1 0 317.363 -0.488 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1CCO ZINC001595179270 952245615 /nfs/dbraw/zinc/24/56/15/952245615.db2.gz MIRYXEUCRWNLOW-OPRDCNLKSA-N -1 0 305.352 -0.895 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1C[C@H]1CCOC1)C2 ZINC001595203180 952318828 /nfs/dbraw/zinc/31/88/28/952318828.db2.gz OERPFOCDAHMEOW-GIPNMCIBSA-N -1 0 309.326 -0.753 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)[nH]n1 ZINC001595206698 952332035 /nfs/dbraw/zinc/33/20/35/952332035.db2.gz GMVHKTYKWIKNRU-VHSXEESVSA-N -1 0 308.294 -0.773 20 0 DBADRM C[C@@H](Cn1cccn1)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001575208010 952538557 /nfs/dbraw/zinc/53/85/57/952538557.db2.gz YVDVHUOLBKGSAG-ZETCQYMHSA-N -1 0 317.313 -0.637 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000383721222 971889381 /nfs/dbraw/zinc/88/93/81/971889381.db2.gz DMENAIWFMJXFLT-NSHDSACASA-N -1 0 307.372 -0.904 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593353708 953351627 /nfs/dbraw/zinc/35/16/27/953351627.db2.gz FHWNCHFIMHMZSY-MGCOHNPYSA-N -1 0 321.399 -0.180 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000402496614 953352720 /nfs/dbraw/zinc/35/27/20/953352720.db2.gz FFQGCFXZJWAWFC-CBAPKCEASA-N -1 0 301.324 -0.903 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC001593354088 953352895 /nfs/dbraw/zinc/35/28/95/953352895.db2.gz RJNUWDHAGKIDKI-SNVBAGLBSA-N -1 0 304.368 -0.409 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001593354087 953353068 /nfs/dbraw/zinc/35/30/68/953353068.db2.gz RJNUWDHAGKIDKI-JTQLQIEISA-N -1 0 304.368 -0.409 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001593355056 953355705 /nfs/dbraw/zinc/35/57/05/953355705.db2.gz FLDILTYHYDVYKH-INTQDDNPSA-N -1 0 318.395 -0.117 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001593355228 953356813 /nfs/dbraw/zinc/35/68/13/953356813.db2.gz OOJVOTKSVLYFCU-VHSXEESVSA-N -1 0 321.399 -0.132 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CCC1 ZINC001594738879 953359154 /nfs/dbraw/zinc/35/91/54/953359154.db2.gz FHTGVCONMONQTM-RNWYCLNJSA-N -1 0 322.361 -0.103 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)CCC1 ZINC001594738877 953359709 /nfs/dbraw/zinc/35/97/09/953359709.db2.gz FHTGVCONMONQTM-NGDQXYMTSA-N -1 0 322.361 -0.103 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cnn(C)c2)C1 ZINC001589266562 953374262 /nfs/dbraw/zinc/37/42/62/953374262.db2.gz UJOGDUQVOTYMBG-ONGXEEELSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCn3ncnc3C2)C1 ZINC001589266789 953375326 /nfs/dbraw/zinc/37/53/26/953375326.db2.gz WYFANBZHTUTIBJ-NXEZZACHSA-N -1 0 321.337 -0.811 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])[C@@H](C)O1 ZINC001589266786 953375365 /nfs/dbraw/zinc/37/53/65/953375365.db2.gz WQPMQENFOLBUPY-IMSYWVGJSA-N -1 0 305.352 -0.490 20 0 DBADRM O=C([O-])C1(CNC(=O)c2ccnc3n[nH]nc32)CCOCC1 ZINC001594744224 953377966 /nfs/dbraw/zinc/37/79/66/953377966.db2.gz NMZCERNVQGGCSR-UHFFFAOYSA-N -1 0 305.294 -0.036 20 0 DBADRM O=C(NCC1(OCCO)CCOCC1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594745909 953386404 /nfs/dbraw/zinc/38/64/04/953386404.db2.gz KNBIBMZOKYPUCF-XYPYZODXSA-N -1 0 316.354 -0.293 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NC[C@H]2CC[C@@H](O)C2)c1 ZINC001594748147 953399113 /nfs/dbraw/zinc/39/91/13/953399113.db2.gz HSSOWGVIGJISNP-GZMMTYOYSA-N -1 0 307.306 -0.005 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589272103 953418930 /nfs/dbraw/zinc/41/89/30/953418930.db2.gz KIVMJBWMONCGQM-MXWKQRLJSA-N -1 0 300.355 -0.311 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001589272954 953429441 /nfs/dbraw/zinc/42/94/41/953429441.db2.gz RVRVLNVRASXEPI-RQJHMYQMSA-N -1 0 316.339 -0.760 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCSC2)CCO1 ZINC001594751565 953444315 /nfs/dbraw/zinc/44/43/15/953444315.db2.gz UDMVJSSNQIKPIC-DTWKUNHWSA-N -1 0 302.352 -0.832 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCC[C@]1(O)CCOC1)C2 ZINC001594754346 953461016 /nfs/dbraw/zinc/46/10/16/953461016.db2.gz QGEJECYPPBDNQB-DDTOSNHZSA-N -1 0 314.338 -0.730 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCC[C@@]1(O)CCOC1 ZINC001594754337 953461274 /nfs/dbraw/zinc/46/12/74/953461274.db2.gz PKSJKGLIZBIOQQ-CQSZACIVSA-N -1 0 323.305 -0.624 20 0 DBADRM O=C([O-])C1(CNC(=O)NCC[C@]2(O)CCOC2)CCOCC1 ZINC001594754493 953461370 /nfs/dbraw/zinc/46/13/70/953461370.db2.gz UMFMIKLGOMDRMP-AWEZNQCLSA-N -1 0 316.354 -0.292 20 0 DBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCO)C1=O ZINC001594758869 953495255 /nfs/dbraw/zinc/49/52/55/953495255.db2.gz NJJXUROEQNYHRE-NWDGAFQWSA-N -1 0 321.333 -0.295 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=S)NCCNS(C)(=O)=O)C1 ZINC001589280281 953495438 /nfs/dbraw/zinc/49/54/38/953495438.db2.gz YNILIADIPNEFHX-DTWKUNHWSA-N -1 0 323.440 -0.547 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2ccncc2)CCO1 ZINC001594765811 953529404 /nfs/dbraw/zinc/52/94/04/953529404.db2.gz SQWGDLMCNPAJNQ-NSHDSACASA-N -1 0 307.306 -0.948 20 0 DBADRM O=C(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594766347 953534775 /nfs/dbraw/zinc/53/47/75/953534775.db2.gz VKFDFNAFDICHGS-HGCLJGPKSA-N -1 0 308.334 -0.327 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCc1ccc(=O)[nH]n1)C2 ZINC001594769171 953550423 /nfs/dbraw/zinc/55/04/23/953550423.db2.gz SNDJCNUYKMPSTH-SDBXPKJASA-N -1 0 308.294 -0.575 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)c1 ZINC001594769931 953553372 /nfs/dbraw/zinc/55/33/72/953553372.db2.gz JDXNRGASCAZQOH-WBMJQRKESA-N -1 0 318.329 -0.158 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1C[C@H](C)C[C@H](CO)C1)C(=O)[O-] ZINC001589285823 953568634 /nfs/dbraw/zinc/56/86/34/953568634.db2.gz GZYZRVQCXJBBJI-VWYCJHECSA-N -1 0 300.355 -0.358 20 0 DBADRM C[C@@H]1C[C@H](CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@@H](C)O1 ZINC001589285865 953570726 /nfs/dbraw/zinc/57/07/26/953570726.db2.gz ICAUDLKWXJOZMC-DBIOUOCHSA-N -1 0 314.338 -0.772 20 0 DBADRM O=C([O-])c1ccccc1CNC(=O)C(=O)N1CCC[C@@H](O)C1 ZINC001594773720 953579356 /nfs/dbraw/zinc/57/93/56/953579356.db2.gz SAVRQBWJIDQLBV-LLVKDONJSA-N -1 0 306.318 -0.016 20 0 DBADRM C[C@@H]1CC(NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@@H](C)O1 ZINC001589290298 953595287 /nfs/dbraw/zinc/59/52/87/953595287.db2.gz REBIJZWBXLTYIM-RKDXNWHRSA-N -1 0 324.337 -0.022 20 0 DBADRM C[C@@H]1C[C@H](CS(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)CCO1 ZINC001589290430 953597198 /nfs/dbraw/zinc/59/71/98/953597198.db2.gz UBEAOWPPNYUUEZ-CKYFFXLPSA-N -1 0 307.368 -0.035 20 0 DBADRM C[C@H]1C[C@H](N2CCOCC2)CN1CCS(=O)(=O)CC(=O)[O-] ZINC001589290680 953597935 /nfs/dbraw/zinc/59/79/35/953597935.db2.gz YAIDUPLSGUACMF-RYUDHWBXSA-N -1 0 320.411 -0.719 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)[C@@H](C)O1 ZINC001589292634 953616687 /nfs/dbraw/zinc/61/66/87/953616687.db2.gz HFLSCFPTSBPVMK-OPRDCNLKSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)NCCOCCOCC(=O)[O-])[C@H](C)O1 ZINC001589293714 953623965 /nfs/dbraw/zinc/62/39/65/953623965.db2.gz RBFBSYNWLHMHPB-OUAUKWLOSA-N -1 0 304.343 -0.031 20 0 DBADRM CCc1c[nH]c(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001593645629 953672115 /nfs/dbraw/zinc/67/21/15/953672115.db2.gz KGSAWONAHCTDGJ-VIFPVBQESA-N -1 0 315.351 -0.775 20 0 DBADRM C[C@@H]1CCC(=O)CN1C(=O)NCCOCCOCC(=O)[O-] ZINC001589298782 953673328 /nfs/dbraw/zinc/67/33/28/953673328.db2.gz FMSXPAPRZQHURT-SNVBAGLBSA-N -1 0 302.327 -0.133 20 0 DBADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC001589299056 953675808 /nfs/dbraw/zinc/67/58/08/953675808.db2.gz HFCVAKWYVVJKNM-UWVGGRQHSA-N -1 0 311.338 -0.331 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](O)CC2)C[C@H]1C1CC1 ZINC001594792550 953695755 /nfs/dbraw/zinc/69/57/55/953695755.db2.gz LFHVCJVPILJNOY-ZDEQEGDKSA-N -1 0 324.377 -0.025 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CC(F)(F)C[C@@H]1CO ZINC001594792669 953698708 /nfs/dbraw/zinc/69/87/08/953698708.db2.gz XZDMOQPFWIZRPA-GJMOJQLCSA-N -1 0 306.265 -0.806 20 0 DBADRM CCc1nnc(CNC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)[nH]1 ZINC001593649743 953703072 /nfs/dbraw/zinc/70/30/72/953703072.db2.gz LEOSFWWTHKSGIA-UHFFFAOYSA-N -1 0 318.293 -0.285 20 0 DBADRM CCc1nn(C)c(OC)c1CNC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001593653708 953726957 /nfs/dbraw/zinc/72/69/57/953726957.db2.gz OXIPRFSXXLLTEG-SNVBAGLBSA-N -1 0 310.310 -0.163 20 0 DBADRM O=C([O-])c1cc(NC(=O)c2cc(N3CCOCC3)ncn2)[nH]n1 ZINC001594800548 953735701 /nfs/dbraw/zinc/73/57/01/953735701.db2.gz WAXOIDAMEDISHV-UHFFFAOYSA-N -1 0 318.293 -0.013 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)c(F)c1 ZINC001594803184 953758927 /nfs/dbraw/zinc/75/89/27/953758927.db2.gz VZJDLUJAFWWPSO-UWVGGRQHSA-N -1 0 312.253 -0.974 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cn1nnc2c(cnn2C)c1=O ZINC001589307962 953760446 /nfs/dbraw/zinc/76/04/46/953760446.db2.gz GHOLIXIMVGKLRC-BDAKNGLRSA-N -1 0 306.326 -0.332 20 0 DBADRM O=C([O-])c1cc(NC(=O)c2cnn(C[C@H](O)CO)c2)ccc1O ZINC001594806504 953783617 /nfs/dbraw/zinc/78/36/17/953783617.db2.gz FLFZKBVINLYLGI-JTQLQIEISA-N -1 0 321.289 -0.108 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CS1(=O)=O ZINC001589311871 953794067 /nfs/dbraw/zinc/79/40/67/953794067.db2.gz COHUFMIBPFPTIQ-ZXFLCMHBSA-N -1 0 304.324 -0.702 20 0 DBADRM CCn1cc(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)cn1 ZINC001593664854 953823411 /nfs/dbraw/zinc/82/34/11/953823411.db2.gz BMQQIPJNQKJEHU-LLVKDONJSA-N -1 0 308.338 -0.158 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N[C@H](CO)CC1CC1 ZINC001594812038 953838897 /nfs/dbraw/zinc/83/88/97/953838897.db2.gz SQUXAUDTNBICIK-VIFPVBQESA-N -1 0 307.306 -0.005 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC001594816589 953866663 /nfs/dbraw/zinc/86/66/63/953866663.db2.gz MEYGYGRVUXTJDR-IMXIGIQMSA-N -1 0 323.330 -0.550 20 0 DBADRM CCn1nc(C)c(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c1C ZINC001593670163 953871748 /nfs/dbraw/zinc/87/17/48/953871748.db2.gz GEDBQYPVAJZXGS-CYBMUJFWSA-N -1 0 312.326 -0.590 20 0 DBADRM CCn1nc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])cc1C1CC1 ZINC001593670863 953882894 /nfs/dbraw/zinc/88/28/94/953882894.db2.gz BYQWXGGPUXLPAG-CQSZACIVSA-N -1 0 324.337 -0.329 20 0 DBADRM C[C@H]1CCCN(C(=O)C2CN(S(C)(=O)=O)C2)[C@@H]1C(=O)[O-] ZINC001589325196 953898142 /nfs/dbraw/zinc/89/81/42/953898142.db2.gz ADCWFMSSFKWOAN-WPRPVWTQSA-N -1 0 304.368 -0.411 20 0 DBADRM CN(C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001593674576 953905074 /nfs/dbraw/zinc/90/50/74/953905074.db2.gz VFBDTHZUDIDPDF-CKYFFXLPSA-N -1 0 309.366 -0.339 20 0 DBADRM CCn1ncnc1CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001593674712 953907733 /nfs/dbraw/zinc/90/77/33/953907733.db2.gz YGWWJSZIARNJJY-UHFFFAOYSA-N -1 0 309.326 -0.715 20 0 DBADRM CN(C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)C1CS(=O)(=O)C1 ZINC001593675173 953915029 /nfs/dbraw/zinc/91/50/29/953915029.db2.gz NKWKQBZHKBHLNM-WPRPVWTQSA-N -1 0 305.352 -0.488 20 0 DBADRM CN(C(=O)C(=O)Nc1ccccc1CC(=O)[O-])[C@H]1CCNC1=O ZINC001593676070 953928709 /nfs/dbraw/zinc/92/87/09/953928709.db2.gz IJBLAJILJAUJJF-NSHDSACASA-N -1 0 319.317 -0.401 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC001594825508 953935634 /nfs/dbraw/zinc/93/56/34/953935634.db2.gz HDPDUWAZMPHQOU-VIFPVBQESA-N -1 0 306.322 -0.415 20 0 DBADRM C[C@H]1CCCN(C(=O)c2nc(N)nc(N(C)C)n2)[C@@H]1C(=O)[O-] ZINC001589328975 953938676 /nfs/dbraw/zinc/93/86/76/953938676.db2.gz VWFRCIYMSVZTFJ-YUMQZZPRSA-N -1 0 308.342 -0.155 20 0 DBADRM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCC(=O)[O-])C1 ZINC001593680974 953951955 /nfs/dbraw/zinc/95/19/55/953951955.db2.gz DKXAPKZVCHPTOT-ZJUUUORDSA-N -1 0 313.354 -0.660 20 0 DBADRM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCC(=O)[O-])C1 ZINC001593680973 953952063 /nfs/dbraw/zinc/95/20/63/953952063.db2.gz DKXAPKZVCHPTOT-VHSXEESVSA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ncc[nH]2)C[C@H]1C(=O)[O-] ZINC001589332785 953956891 /nfs/dbraw/zinc/95/68/91/953956891.db2.gz PNADOTZOOQSOTM-VHSXEESVSA-N -1 0 308.338 -0.063 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cccc3c2OCC3)CC1 ZINC001594828307 953957114 /nfs/dbraw/zinc/95/71/14/953957114.db2.gz SMOYHYFHEIPCKP-UHFFFAOYSA-N -1 0 304.302 -0.010 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC001594828327 953957350 /nfs/dbraw/zinc/95/73/50/953957350.db2.gz VIANSUNKCFWJTC-KGLIPLIRSA-N -1 0 322.361 -0.300 20 0 DBADRM O=C([O-])C(=O)NCc1ccc(CN2CCS(=O)CC2)cc1 ZINC001594828568 953959106 /nfs/dbraw/zinc/95/91/06/953959106.db2.gz OYDVWZITVMOZQV-UHFFFAOYSA-N -1 0 310.375 -0.048 20 0 DBADRM CN(C)C(=O)C1(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCCC1 ZINC001593681757 953961374 /nfs/dbraw/zinc/96/13/74/953961374.db2.gz MIXMFPIQZBVKQG-JTQLQIEISA-N -1 0 311.338 -0.019 20 0 DBADRM CN(C(=O)c1cc(C(=O)[O-])n[nH]1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001593682318 953967646 /nfs/dbraw/zinc/96/76/46/953967646.db2.gz FLEIKYWQURXJSO-SSDOTTSWSA-N -1 0 316.339 -0.786 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CCN(CCn2cncn2)CC1)C1CC1 ZINC001594831640 953970989 /nfs/dbraw/zinc/97/09/89/953970989.db2.gz FWDFHJSUEAJCNO-LBPRGKRZSA-N -1 0 307.354 -0.467 20 0 DBADRM CN(C)C(=O)CC1CCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC001593684222 953984614 /nfs/dbraw/zinc/98/46/14/953984614.db2.gz QYVJBDXZXHWPIF-UHFFFAOYSA-N -1 0 323.353 -0.307 20 0 DBADRM CN(C)C(=O)CCCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593684476 953985866 /nfs/dbraw/zinc/98/58/66/953985866.db2.gz WYAIWKWWKUJBDR-SNVBAGLBSA-N -1 0 313.354 -0.706 20 0 DBADRM O=C([O-])[C@H](C(=O)NC1CCN([C@H]2CCOC2=O)CC1)C1CC1 ZINC001594832621 953988541 /nfs/dbraw/zinc/98/85/41/953988541.db2.gz JFKRSWCEXNWARA-RYUDHWBXSA-N -1 0 310.350 -0.007 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)Nc2cccnc2C(=O)[O-])nn1 ZINC001593686664 953992385 /nfs/dbraw/zinc/99/23/85/953992385.db2.gz FGIWYHWQYIDXTN-UHFFFAOYSA-N -1 0 318.293 -0.288 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cn1 ZINC001593686601 953992399 /nfs/dbraw/zinc/99/23/99/953992399.db2.gz AYWCRRNKXVSMTA-SECBINFHSA-N -1 0 309.282 -0.861 20 0 DBADRM CC1CCN(C(=O)C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001589336334 953994440 /nfs/dbraw/zinc/99/44/40/953994440.db2.gz JMHXJXSKFPFBAT-SNVBAGLBSA-N -1 0 312.322 -0.526 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)n1 ZINC001593687577 953998688 /nfs/dbraw/zinc/99/86/88/953998688.db2.gz UKWVTOBBZYTDLN-MRVPVSSYSA-N -1 0 309.282 -0.861 20 0 DBADRM CN(C)C(=O)NC1CCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC001593687637 954000520 /nfs/dbraw/zinc/00/05/20/954000520.db2.gz XPYPEIJKWGHOAA-UHFFFAOYSA-N -1 0 324.341 -0.762 20 0 DBADRM CN(C)C(=O)O[C@@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001593687761 954002193 /nfs/dbraw/zinc/00/21/93/954002193.db2.gz YENGKJPZJORHIP-PSASIEDQSA-N -1 0 313.310 -0.095 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001593688236 954003763 /nfs/dbraw/zinc/00/37/63/954003763.db2.gz DMEYUYUAUMIQJJ-JTQLQIEISA-N -1 0 313.354 -0.706 20 0 DBADRM CN(C)C(=O)CNC(=S)NCC1(C(=O)[O-])CCOCC1 ZINC001593688422 954005666 /nfs/dbraw/zinc/00/56/66/954005666.db2.gz QJHCDRKJCQXVBF-UHFFFAOYSA-N -1 0 303.384 -0.580 20 0 DBADRM O=C([O-])[C@@H](C(=O)NCCS(=O)(=O)N1CCCC1)C1CC1 ZINC001594833995 954011695 /nfs/dbraw/zinc/01/16/95/954011695.db2.gz SEMWVXSXAAVNCC-SNVBAGLBSA-N -1 0 304.368 -0.361 20 0 DBADRM O=C([O-])[C@H](C(=O)NCCS(=O)(=O)N1CCCC1)C1CC1 ZINC001594833994 954011761 /nfs/dbraw/zinc/01/17/61/954011761.db2.gz SEMWVXSXAAVNCC-JTQLQIEISA-N -1 0 304.368 -0.361 20 0 DBADRM CN(C)C(=O)c1cccc(CNC(=O)C(=O)NCCC(=O)[O-])c1 ZINC001593689343 954017060 /nfs/dbraw/zinc/01/70/60/954017060.db2.gz XQYHQPZGGPVAOJ-UHFFFAOYSA-N -1 0 321.333 -0.405 20 0 DBADRM O=C([O-])C1(C(=O)N2CC(NC3COC3)C2)CCSCC1 ZINC001594844073 954115535 /nfs/dbraw/zinc/11/55/35/954115535.db2.gz KRLYWCYEBWMNQW-UHFFFAOYSA-N -1 0 300.380 -0.216 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001593703862 954142701 /nfs/dbraw/zinc/14/27/01/954142701.db2.gz JTWPIYUBPHFIET-SECBINFHSA-N -1 0 319.383 -0.474 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593704346 954145805 /nfs/dbraw/zinc/14/58/05/954145805.db2.gz SCVKFGKAMGYFCC-ZJUUUORDSA-N -1 0 322.383 -0.736 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(NC(=O)NCCC(=O)[O-])nc1 ZINC001593707609 954154479 /nfs/dbraw/zinc/15/44/79/954154479.db2.gz URRGAQBHKJMRTF-UHFFFAOYSA-N -1 0 316.339 -0.072 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCC(=O)C(=O)[O-])c1 ZINC001593708060 954156178 /nfs/dbraw/zinc/15/61/78/954156178.db2.gz HCBSCKAXCCVQPQ-UHFFFAOYSA-N -1 0 304.280 -0.925 20 0 DBADRM CN(C)S(=O)(=O)Cc1ccc(CNC(=O)C(=O)[O-])cc1 ZINC001593707895 954156325 /nfs/dbraw/zinc/15/63/25/954156325.db2.gz BGKNXRYJZCHBCE-UHFFFAOYSA-N -1 0 300.336 -0.221 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC001593708185 954157090 /nfs/dbraw/zinc/15/70/90/954157090.db2.gz JIUVXSPUXQLTFH-OCAPTIKFSA-N -1 0 315.351 -0.142 20 0 DBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)C1(C(=O)[O-])CC=CC1 ZINC001593708233 954158632 /nfs/dbraw/zinc/15/86/32/954158632.db2.gz MAWPNLMDZQKWKV-UHFFFAOYSA-N -1 0 320.367 -0.311 20 0 DBADRM O=C([O-])C1(C(=O)N2CCO[C@@H]3C[C@@H]32)CCS(=O)(=O)CC1 ZINC001594848749 954162392 /nfs/dbraw/zinc/16/23/92/954162392.db2.gz ACBYNWGJAMTYOF-DTWKUNHWSA-N -1 0 303.336 -0.734 20 0 DBADRM C[C@@H]1[C@H](O)CCCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001589364925 954182310 /nfs/dbraw/zinc/18/23/10/954182310.db2.gz DBSFTPWJTIPFDD-WISYIIOYSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2nncn2C)CC[C@@H]1C(=O)[O-] ZINC001589365178 954185680 /nfs/dbraw/zinc/18/56/80/954185680.db2.gz HUXVEQSKYFVPRL-ZJUUUORDSA-N -1 0 323.353 -0.657 20 0 DBADRM CN(C)c1cccnc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001593712657 954193752 /nfs/dbraw/zinc/19/37/52/954193752.db2.gz JCLFGBLHKNCRGQ-UHFFFAOYSA-N -1 0 306.322 -0.483 20 0 DBADRM CN(C)c1cnc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001593712688 954194594 /nfs/dbraw/zinc/19/45/94/954194594.db2.gz KEHKQCTYGCFSOC-VIFPVBQESA-N -1 0 308.294 -0.615 20 0 DBADRM CN(C)c1ncc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cn1 ZINC001593715262 954210823 /nfs/dbraw/zinc/21/08/23/954210823.db2.gz IYJCAGIMHUMNKP-SECBINFHSA-N -1 0 307.310 -0.443 20 0 DBADRM CN(CC(=O)N1CCC[C@]1(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001593716257 954221006 /nfs/dbraw/zinc/22/10/06/954221006.db2.gz BPDVWSVPDOJCGN-ZWNOBZJWSA-N -1 0 318.395 -0.429 20 0 DBADRM CN(CC(=O)N1CCCC1)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593716569 954226196 /nfs/dbraw/zinc/22/61/96/954226196.db2.gz XFUYDOZUHGJYMA-MGCOHNPYSA-N -1 0 311.338 -0.953 20 0 DBADRM CN(C1CC1)S(=O)(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593716879 954229572 /nfs/dbraw/zinc/22/95/72/954229572.db2.gz QGYNYHKPTYGSFZ-SNVBAGLBSA-N -1 0 319.383 -0.619 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)CC=CCC1 ZINC001594855766 954231448 /nfs/dbraw/zinc/23/14/48/954231448.db2.gz CIIFEJQFJVIJSK-OLZOCXBDSA-N -1 0 317.363 -0.537 20 0 DBADRM CN(CC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC001593719579 954245490 /nfs/dbraw/zinc/24/54/90/954245490.db2.gz XTDJENVKEAAKDS-AEJSXWLSSA-N -1 0 304.368 -0.915 20 0 DBADRM C[C@@H]1CN(C(=O)C2(C(=O)[O-])CCOCC2)CCN1CCO ZINC001589375520 954250869 /nfs/dbraw/zinc/25/08/69/954250869.db2.gz QOPVNOIWCHWTPS-LLVKDONJSA-N -1 0 300.355 -0.607 20 0 DBADRM O=C([O-])[C@]1(C(=O)NCCN2CCC3(C2)OCCO3)CCCO1 ZINC001594860931 954274648 /nfs/dbraw/zinc/27/46/48/954274648.db2.gz HEZICJAUFXMPCY-CQSZACIVSA-N -1 0 314.338 -0.815 20 0 DBADRM O=C([O-])[C@]1(C(=O)NCCCn2ccc(=O)[nH]c2=O)CCCO1 ZINC001594860911 954275071 /nfs/dbraw/zinc/27/50/71/954275071.db2.gz GCPQWMRHIMLUQU-CYBMUJFWSA-N -1 0 311.294 -0.911 20 0 DBADRM O=C([O-])C1(C(=O)NCCN2CCS(=O)(=O)CC2)CC=CC1 ZINC001594861094 954276212 /nfs/dbraw/zinc/27/62/12/954276212.db2.gz KLSCDKFXLTWDDX-UHFFFAOYSA-N -1 0 316.379 -0.746 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC001593727607 954291149 /nfs/dbraw/zinc/29/11/49/954291149.db2.gz KBBUOFGPRVWDQJ-UTUOFQBUSA-N -1 0 300.355 -0.751 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001593728209 954298359 /nfs/dbraw/zinc/29/83/59/954298359.db2.gz CPWLBOZRYKGNNZ-SKDRFNHKSA-N -1 0 305.352 -0.487 20 0 DBADRM CN(C[C@H]1CCOC1)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593728928 954304673 /nfs/dbraw/zinc/30/46/73/954304673.db2.gz FMSLVFRXQXTULX-SECBINFHSA-N -1 0 310.310 -0.599 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@H]2CCCO2)CCS(=O)(=O)CC1 ZINC001594863896 954306367 /nfs/dbraw/zinc/30/63/67/954306367.db2.gz PKTXSBXYEOFTFJ-SECBINFHSA-N -1 0 305.352 -0.439 20 0 DBADRM CN(CC1CCOCC1)C(=O)C(=O)NCCOCC(=O)[O-] ZINC001593730237 954314914 /nfs/dbraw/zinc/31/49/14/954314914.db2.gz VKACSHXAZPRPSW-UHFFFAOYSA-N -1 0 302.327 -0.911 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC001593731891 954323100 /nfs/dbraw/zinc/32/31/00/954323100.db2.gz YAMFAPFHVWZJNT-OWUUHHOZSA-N -1 0 314.338 -0.282 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)CCS(=O)(=O)CC1 ZINC001594868805 954327333 /nfs/dbraw/zinc/32/73/33/954327333.db2.gz KIPZBADXHARMIR-IVZWLZJFSA-N -1 0 317.363 -0.298 20 0 DBADRM CN(CCC(=O)[O-])C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001593738666 954346367 /nfs/dbraw/zinc/34/63/67/954346367.db2.gz FETFBRGBTXQQJQ-UHFFFAOYSA-N -1 0 305.290 -0.085 20 0 DBADRM CN(C)c1cc(NC(=O)C(=O)N(C)CCCC(=O)[O-])ncn1 ZINC001593742229 954362274 /nfs/dbraw/zinc/36/22/74/954362274.db2.gz UHOMGBRZPPBDSZ-UHFFFAOYSA-N -1 0 309.326 -0.196 20 0 DBADRM CN(CCC(N)=O)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001593742300 954363052 /nfs/dbraw/zinc/36/30/52/954363052.db2.gz ZOJBBICZOAIYLR-OPASDULOSA-N -1 0 313.354 -0.084 20 0 DBADRM O=C([O-])C1(C(=O)Nc2cnns2)CCS(=O)(=O)CC1 ZINC001594872024 954364841 /nfs/dbraw/zinc/36/48/41/954364841.db2.gz MUYZDWGGWOQXFQ-UHFFFAOYSA-N -1 0 305.337 -0.244 20 0 DBADRM C[C@@H]1CN([C@H]2CCN(CC(=O)[O-])C2=O)CCN1c1cnccn1 ZINC001589395607 954367368 /nfs/dbraw/zinc/36/73/68/954367368.db2.gz LHPZMNKCWPNNTE-NEPJUHHUSA-N -1 0 319.365 -0.327 20 0 DBADRM CN(CCCO)C(=O)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001593750238 954396481 /nfs/dbraw/zinc/39/64/81/954396481.db2.gz BCBUCHXFNQCYHC-INIZCTEOSA-N -1 0 322.361 -0.014 20 0 DBADRM CN(CCCNC(=O)C1CCC1)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001593750432 954399416 /nfs/dbraw/zinc/39/94/16/954399416.db2.gz QZVXNSUPIWDZFD-UHFFFAOYSA-N -1 0 323.353 -0.259 20 0 DBADRM C[C@H]1OCC[C@@]12CN(CCS(=O)(=O)CC(=O)[O-])C[C@@H](C)O2 ZINC001589399337 954401754 /nfs/dbraw/zinc/40/17/54/954401754.db2.gz CWFFQJQXCMXFMT-NQBHXWOUSA-N -1 0 321.395 -0.246 20 0 DBADRM CN(CCNC(=O)c1cccn(CC(=O)[O-])c1=O)CC(F)F ZINC001593750676 954405089 /nfs/dbraw/zinc/40/50/89/954405089.db2.gz GAJAAKGFBGMRJN-UHFFFAOYSA-N -1 0 317.292 -0.140 20 0 DBADRM CN(CCCn1ccnc1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001593750847 954406330 /nfs/dbraw/zinc/40/63/30/954406330.db2.gz IXOYHDZPECBKTI-LLVKDONJSA-N -1 0 324.337 -0.956 20 0 DBADRM CN(CCCCO)C(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001593751432 954418280 /nfs/dbraw/zinc/41/82/80/954418280.db2.gz NIDMSVPFHVRGAQ-UHFFFAOYSA-N -1 0 316.354 -0.785 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@@H](CO)[C@H]2C)c1C(=O)[O-] ZINC000385783939 972013977 /nfs/dbraw/zinc/01/39/77/972013977.db2.gz MHVBKWNXQZGENZ-SFYZADRCSA-N -1 0 303.340 -0.192 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)CC2CCOCC2)CCOCC1 ZINC001594883131 954444429 /nfs/dbraw/zinc/44/44/29/954444429.db2.gz IHYDEQWGQIMYOD-UHFFFAOYSA-N -1 0 307.368 -0.034 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@H](CO)[C@@H]2C)c1C(=O)[O-] ZINC000385783937 972014391 /nfs/dbraw/zinc/01/43/91/972014391.db2.gz MHVBKWNXQZGENZ-JGVFFNPUSA-N -1 0 303.340 -0.192 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCC1=O ZINC001589402569 954448919 /nfs/dbraw/zinc/44/89/19/954448919.db2.gz UNOJUROHFQYUIH-VIFPVBQESA-N -1 0 304.368 -0.061 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C1 ZINC001594884937 954454326 /nfs/dbraw/zinc/45/43/26/954454326.db2.gz AZDRQGCGKOKCFK-ZYHUDNBSSA-N -1 0 323.349 -0.019 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)C1 ZINC001594885007 954455259 /nfs/dbraw/zinc/45/52/59/954455259.db2.gz CKAINRTXWOMVQR-GZMMTYOYSA-N -1 0 309.322 -0.267 20 0 DBADRM CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593756699 954457482 /nfs/dbraw/zinc/45/74/82/954457482.db2.gz CMYFDPDEGHQFNY-DKTWLAJQSA-N -1 0 307.306 -0.052 20 0 DBADRM CN(C[C@H]1C[C@@H](O)C1)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593756792 954458784 /nfs/dbraw/zinc/45/87/84/954458784.db2.gz FYIOMAYHFISXAW-AOOOYVTPSA-N -1 0 319.379 -0.505 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCC[C@@H](N3CCCC3=O)C2)C1 ZINC001594885570 954459179 /nfs/dbraw/zinc/45/91/79/954459179.db2.gz KJNNGOFPPQRYEN-MWLCHTKSSA-N -1 0 309.322 -0.171 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)C1 ZINC001594885814 954461865 /nfs/dbraw/zinc/46/18/65/954461865.db2.gz NCIYWNOYFONQAG-MUWHJKNJSA-N -1 0 322.277 -0.567 20 0 DBADRM CN(Cc1c(C(=O)[O-])cnn1C)C[C@H](O)CN1CCOCC1 ZINC001593757036 954463663 /nfs/dbraw/zinc/46/36/63/954463663.db2.gz PEMPZYUZDLDTEP-NSHDSACASA-N -1 0 312.370 -0.757 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CC[C@@](CO)(C(F)(F)F)C2)C1 ZINC001594886314 954465681 /nfs/dbraw/zinc/46/56/81/954465681.db2.gz SREUOPWBPRSVNO-GMSGAONNSA-N -1 0 310.228 -0.011 20 0 DBADRM C[C@@H]1COC[C@@H]1NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589408108 954482486 /nfs/dbraw/zinc/48/24/86/954482486.db2.gz FCESBLLPFYQONZ-MXWKQRLJSA-N -1 0 313.354 -0.214 20 0 DBADRM C[C@@H]1COCC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001589408231 954485179 /nfs/dbraw/zinc/48/51/79/954485179.db2.gz HPIBCCDOBWYWKS-UTLUCORTSA-N -1 0 305.352 -0.631 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)C1 ZINC001594888323 954485233 /nfs/dbraw/zinc/48/52/33/954485233.db2.gz CDGAAEPECFRGBM-JGVFFNPUSA-N -1 0 309.282 -0.498 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCc2ccc3c(c2)C(=O)NCC3)C1 ZINC001594888910 954495706 /nfs/dbraw/zinc/49/57/06/954495706.db2.gz HNFWNECOYQWLNR-GFCCVEGCSA-N -1 0 317.301 -0.182 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)C1 ZINC001594889530 954502330 /nfs/dbraw/zinc/50/23/30/954502330.db2.gz HDZKRGRPKNQKNB-SHYZEUOFSA-N -1 0 310.228 -0.155 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCN(CCCCCO)CC2)C1 ZINC001594889527 954503045 /nfs/dbraw/zinc/50/30/45/954503045.db2.gz HDNQPUDWDXWLOL-GFCCVEGCSA-N -1 0 313.354 -0.477 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)CN[C@@H](C(=O)[O-])c1ccnn1C ZINC001593764492 954503274 /nfs/dbraw/zinc/50/32/74/954503274.db2.gz NRWBMQNCDXAWIZ-CYBMUJFWSA-N -1 0 320.353 -0.473 20 0 DBADRM CN(Cc1cn(C)nn1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001593764553 954503355 /nfs/dbraw/zinc/50/33/55/954503355.db2.gz PUBHQVOPODTFDY-UHFFFAOYSA-N -1 0 317.371 -0.712 20 0 DBADRM CN(Cc1nnc2ccccn21)C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001593764773 954505661 /nfs/dbraw/zinc/50/56/61/954505661.db2.gz CDGNNYULMGJABT-VIFPVBQESA-N -1 0 303.278 -0.083 20 0 DBADRM C[C@H]1COCCCN1C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589409702 954508264 /nfs/dbraw/zinc/50/82/64/954508264.db2.gz YIJMTPIWZMTYCE-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NC2CCN(c3cccnn3)CC2)C1 ZINC001594891013 954524947 /nfs/dbraw/zinc/52/49/47/954524947.db2.gz KZKYJIJJZGRSKQ-LLVKDONJSA-N -1 0 319.321 -0.209 20 0 DBADRM C[C@@H]1NC(C(=O)N(C)CC(=O)[O-])=NN(c2ccccc2)C1=O ZINC001589413166 954536478 /nfs/dbraw/zinc/53/64/78/954536478.db2.gz QSBADZFGMLZITP-VIFPVBQESA-N -1 0 304.306 -0.132 20 0 DBADRM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)C(C)(C)C(=O)[O-])C1=O ZINC001593771634 954541893 /nfs/dbraw/zinc/54/18/93/954541893.db2.gz FXMPHNFZALYJBH-RMLUDKJBSA-N -1 0 311.338 -0.066 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC001594892072 954541882 /nfs/dbraw/zinc/54/18/82/954541882.db2.gz PKLUBNLMOILNJL-CBAPKCEASA-N -1 0 303.265 -0.232 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@H](CO)[C@H](O)C2CCCCC2)C1 ZINC001594892086 954542058 /nfs/dbraw/zinc/54/20/58/954542058.db2.gz PNRTYJNWRAKVEH-GRYCIOLGSA-N -1 0 314.338 -0.366 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C(C)(C)C(=O)[O-])C1=O ZINC001593771633 954541980 /nfs/dbraw/zinc/54/19/80/954541980.db2.gz FXMPHNFZALYJBH-CLAHSXSESA-N -1 0 311.338 -0.066 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCCNC(=O)c2ccccc2F)C1 ZINC001594892292 954543816 /nfs/dbraw/zinc/54/38/16/954543816.db2.gz RIEGBDLGPUBAHP-LLVKDONJSA-N -1 0 323.280 -0.099 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)C1 ZINC001594892499 954546331 /nfs/dbraw/zinc/54/63/31/954546331.db2.gz RYOXTIZQEQUDGE-QRTLGDNMSA-N -1 0 310.306 -0.188 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCCN2C[C@@H]3CCCCN3C2=O)C1 ZINC001594893044 954550828 /nfs/dbraw/zinc/55/08/28/954550828.db2.gz XMJVNLXXSZXFSO-GXSJLCMTSA-N -1 0 324.337 -0.378 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CCC1=O ZINC001593772855 954556826 /nfs/dbraw/zinc/55/68/26/954556826.db2.gz SGNKEVRNFROSGT-YMTOWFKASA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)[C@H](O)C3CC3)CC2)C1 ZINC001594894911 954557689 /nfs/dbraw/zinc/55/76/89/954557689.db2.gz BYLHDRIOZXOOOR-ZWNOBZJWSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001594895742 954562742 /nfs/dbraw/zinc/56/27/42/954562742.db2.gz HOZFFENRSPOPNY-LLVKDONJSA-N -1 0 320.349 -0.193 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)[C@@H]3CO[C@@H](CCC(=O)[O-])C3)C[C@H]2C1=O ZINC001593773849 954572062 /nfs/dbraw/zinc/57/20/62/954572062.db2.gz ITIOKZZQHUTZDN-XWLWVQCSSA-N -1 0 324.333 -0.671 20 0 DBADRM CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCC(=O)[O-] ZINC001593774127 954576621 /nfs/dbraw/zinc/57/66/21/954576621.db2.gz NQCCJQQBMUOYHT-AWEZNQCLSA-N -1 0 300.355 -0.417 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)Nc3ccnc(C(=O)[O-])c3)C[C@H]2C1=O ZINC001593774392 954581486 /nfs/dbraw/zinc/58/14/86/954581486.db2.gz RFGDETHVGJVMCT-DTORHVGOSA-N -1 0 318.289 -0.142 20 0 DBADRM CN1C[C@@H](OC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCC1=O ZINC001593774347 954582211 /nfs/dbraw/zinc/58/22/11/954582211.db2.gz OWMWXJOPFGEJRO-UWVGGRQHSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)c3ccc(C(=O)[O-])nc3)C[C@H]2C1=O ZINC001593774472 954583600 /nfs/dbraw/zinc/58/36/00/954583600.db2.gz UJZJZEDBHBPLOG-DTORHVGOSA-N -1 0 303.274 -0.533 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)Nc3cncc(C(=O)[O-])c3)C[C@H]2C1=O ZINC001593774452 954583765 /nfs/dbraw/zinc/58/37/65/954583765.db2.gz TWMORIBGDQNDJX-AOOOYVTPSA-N -1 0 318.289 -0.142 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(c3nccc(CO)n3)CC2)C1 ZINC001594898010 954586705 /nfs/dbraw/zinc/58/67/05/954586705.db2.gz FGZQIYHUXSTRFB-JTQLQIEISA-N -1 0 320.349 -0.129 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001594897976 954587122 /nfs/dbraw/zinc/58/71/22/954587122.db2.gz DCQGJLNGSDIMLM-GXSJLCMTSA-N -1 0 316.379 -0.472 20 0 DBADRM CN1C[C@H](n2nnnc2N2CCC[C@H](C(=O)[O-])C2)CCC1=O ZINC001593774949 954592725 /nfs/dbraw/zinc/59/27/25/954592725.db2.gz WUHNOYBCPIXOQT-VHSXEESVSA-N -1 0 308.342 -0.233 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CCN(c3ncc(F)cn3)CC2)C1 ZINC001594898473 954593253 /nfs/dbraw/zinc/59/32/53/954593253.db2.gz KWFIKQQBWQICTH-JTQLQIEISA-N -1 0 323.328 -0.372 20 0 DBADRM CCC(=O)NC1CCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC001589424957 954608620 /nfs/dbraw/zinc/60/86/20/954608620.db2.gz JHYUAOHWGCTSLY-UHFFFAOYSA-N -1 0 309.326 -0.507 20 0 DBADRM CCC(=O)NC1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001589425042 954609776 /nfs/dbraw/zinc/60/97/76/954609776.db2.gz SCHVDHDXZIFACR-UHFFFAOYSA-N -1 0 306.384 -0.524 20 0 DBADRM CCC(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001589425752 954615564 /nfs/dbraw/zinc/61/55/64/954615564.db2.gz KYOXAHFKOPOBHU-UHFFFAOYSA-N -1 0 319.383 -0.461 20 0 DBADRM CN1CCN(C(=O)N2CCN(C(=O)CCC(=O)[O-])CC2)CC1 ZINC001593781036 954661782 /nfs/dbraw/zinc/66/17/82/954661782.db2.gz MABIKUTYMFFXHH-UHFFFAOYSA-N -1 0 312.370 -0.637 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)[C@H](CO)C1 ZINC001593781217 954665796 /nfs/dbraw/zinc/66/57/96/954665796.db2.gz JHNGPMBQGKKIAM-SRVKXCTJSA-N -1 0 300.355 -0.609 20 0 DBADRM CN1CCN(CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC1=O ZINC001593785426 954699085 /nfs/dbraw/zinc/69/90/85/954699085.db2.gz VAZIQDIBWMZCFV-GFCCVEGCSA-N -1 0 311.382 -0.136 20 0 DBADRM CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593786945 954712055 /nfs/dbraw/zinc/71/20/55/954712055.db2.gz SETXZYSKBXDBTN-DBIOUOCHSA-N -1 0 323.349 -0.813 20 0 DBADRM CN1CCc2ccc(NC(=O)C(=O)NCCOCC(=O)[O-])cc21 ZINC001593786987 954713304 /nfs/dbraw/zinc/71/33/04/954713304.db2.gz UAPXBZFMZSDDFO-UHFFFAOYSA-N -1 0 321.333 -0.165 20 0 DBADRM CN1CCn2c(CNC(=O)C3(CC(=O)[O-])CCC3)nnc2C1=O ZINC001593787014 954713908 /nfs/dbraw/zinc/71/39/08/954713908.db2.gz VEVOSJQWYMBSHO-UHFFFAOYSA-N -1 0 321.337 -0.375 20 0 DBADRM O=C([O-])C1CCC(O)(C[NH+]2CCN(c3nc[nH]n3)CC2)CC1 ZINC001594912326 954715773 /nfs/dbraw/zinc/71/57/73/954715773.db2.gz SHDBZOYICJIHAB-UHFFFAOYSA-N -1 0 309.370 -0.067 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC001593787339 954721023 /nfs/dbraw/zinc/72/10/23/954721023.db2.gz BSZKRGBNGUONPT-RYUDHWBXSA-N -1 0 306.318 -0.344 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593787297 954721596 /nfs/dbraw/zinc/72/15/96/954721596.db2.gz ANWKVOBHKOWYEM-UHIISALHSA-N -1 0 313.354 -0.940 20 0 DBADRM CN1CCO[C@@H](C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1=O ZINC001593787654 954728945 /nfs/dbraw/zinc/72/89/45/954728945.db2.gz UHBVQUGWSOMZIL-VIFPVBQESA-N -1 0 310.310 -0.502 20 0 DBADRM CC[C@H](C(=O)[O-])N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001589442561 954731060 /nfs/dbraw/zinc/73/10/60/954731060.db2.gz BVQOJACXXQJANT-NXEZZACHSA-N -1 0 306.384 -0.525 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(F)(F)C(=O)N2CCOCC2)CC1 ZINC001594915537 954746130 /nfs/dbraw/zinc/74/61/30/954746130.db2.gz VTCLDFGEZNKLJW-UHFFFAOYSA-N -1 0 320.292 -0.196 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001593790716 954756278 /nfs/dbraw/zinc/75/62/78/954756278.db2.gz IJABNLQKPUXTLR-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)CC1 ZINC001594916298 954756122 /nfs/dbraw/zinc/75/61/22/954756122.db2.gz MAQICIDRJWGFIM-HNNXBMFYSA-N -1 0 310.350 -0.317 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593791260 954759397 /nfs/dbraw/zinc/75/93/97/954759397.db2.gz UXWSEQSXZBZYBG-UHFFFAOYSA-N -1 0 321.333 -0.357 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(F)F)CC2)C1 ZINC001594917645 954775092 /nfs/dbraw/zinc/77/50/92/954775092.db2.gz VLGLEXAHBJCQLA-SECBINFHSA-N -1 0 319.308 -0.671 20 0 DBADRM CNC(=O)COc1ccc(NC(=O)C(=O)NCC(=O)[O-])c(C)c1 ZINC001593793141 954775885 /nfs/dbraw/zinc/77/58/85/954775885.db2.gz IGMRJUZIFZEMAL-UHFFFAOYSA-N -1 0 323.305 -0.741 20 0 DBADRM O=C([O-])[C@@H]1CCCN1Cc1cn(CCN2CCOCC2)nn1 ZINC001594918033 954778719 /nfs/dbraw/zinc/77/87/19/954778719.db2.gz YAQGYEFPMNWMDL-ZDUSSCGKSA-N -1 0 309.370 -0.341 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)[C@]2(C(=O)[O-])CC2(C)C)n1 ZINC001593793285 954779770 /nfs/dbraw/zinc/77/97/70/954779770.db2.gz KUBAGQHNKTZFCP-CYBMUJFWSA-N -1 0 311.294 -0.098 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001593793354 954780706 /nfs/dbraw/zinc/78/07/06/954780706.db2.gz MQNNUEOKEXHKOE-UHFFFAOYSA-N -1 0 317.305 -0.097 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H](CO)C2CCCC2)cn1 ZINC000386282525 972041886 /nfs/dbraw/zinc/04/18/86/972041886.db2.gz RHUKYCJBDUMIFB-NSHDSACASA-N -1 0 317.367 -0.203 20 0 DBADRM CNC(=O)c1cc(N2CCO[C@@](COC)(C(=O)[O-])C2)ccn1 ZINC001593794021 954792538 /nfs/dbraw/zinc/79/25/38/954792538.db2.gz DEPVAXYCCZVYPT-AWEZNQCLSA-N -1 0 309.322 -0.252 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)[C@@H](C(=O)[O-])C(C)C)CCO1 ZINC001593794516 954795549 /nfs/dbraw/zinc/79/55/49/954795549.db2.gz AYJKWECIZPEPHO-ZJUUUORDSA-N -1 0 301.343 -0.500 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1C ZINC001593795375 954806132 /nfs/dbraw/zinc/80/61/32/954806132.db2.gz SRTYBOBKMIZOGS-KYZUINATSA-N -1 0 309.326 -0.078 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593795410 954806241 /nfs/dbraw/zinc/80/62/41/954806241.db2.gz VCWHRXVKXDSJKL-KXUCPTDWSA-N -1 0 314.342 -0.811 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CCO1 ZINC001593795559 954807582 /nfs/dbraw/zinc/80/75/82/954807582.db2.gz XPMXUNIUVHUPJC-VHSXEESVSA-N -1 0 315.370 -0.110 20 0 DBADRM CC[C@@](C)(CCO)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589452282 954811681 /nfs/dbraw/zinc/81/16/81/954811681.db2.gz RHAXYBAVCKJKMW-YGRLFVJLSA-N -1 0 300.355 -0.023 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)c2cc(N3CCOCC3)ncn2)C1 ZINC001594925632 954815128 /nfs/dbraw/zinc/81/51/28/954815128.db2.gz PSINSUCIOMBEBQ-JTQLQIEISA-N -1 0 306.322 -0.140 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001593797356 954817910 /nfs/dbraw/zinc/81/79/10/954817910.db2.gz HNEVCACOHZRRSZ-NKWVEPMBSA-N -1 0 311.298 -0.627 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1 ZINC001593797879 954824545 /nfs/dbraw/zinc/82/45/45/954824545.db2.gz DJRKWOSLRZZEJQ-SNVBAGLBSA-N -1 0 321.399 -0.612 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593798070 954826825 /nfs/dbraw/zinc/82/68/25/954826825.db2.gz IXUZBZDVZBNBOO-OPRDCNLKSA-N -1 0 319.383 -0.427 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001593798129 954828339 /nfs/dbraw/zinc/82/83/39/954828339.db2.gz LHKSOSDMJPEDMR-UHFFFAOYSA-N -1 0 316.379 -0.052 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001593798202 954829167 /nfs/dbraw/zinc/82/91/67/954829167.db2.gz OBDDHYBCPWXURG-JOYOIKCWSA-N -1 0 320.367 -0.840 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@H](C)CC(=O)[O-])C1 ZINC001593798240 954829926 /nfs/dbraw/zinc/82/99/26/954829926.db2.gz PQOBEZUVXBBPGZ-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001593798340 954831082 /nfs/dbraw/zinc/83/10/82/954831082.db2.gz UQOVXXMBNWNBBL-AEJSXWLSSA-N -1 0 304.368 -0.363 20 0 DBADRM CNS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001593798453 954834321 /nfs/dbraw/zinc/83/43/21/954834321.db2.gz XCJPAYATVXLTHC-VHSXEESVSA-N -1 0 319.383 -0.904 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001593798577 954835971 /nfs/dbraw/zinc/83/59/71/954835971.db2.gz ZRWVYARJCWWALW-GFCCVEGCSA-N -1 0 304.368 -0.147 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001593798580 954836160 /nfs/dbraw/zinc/83/61/60/954836160.db2.gz ZSASUGYPSYNLDJ-OPRDCNLKSA-N -1 0 304.368 -0.363 20 0 DBADRM CNS(=O)(=O)NCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC001593798909 954841759 /nfs/dbraw/zinc/84/17/59/954841759.db2.gz HGYXLBDPOXYMNY-AEJSXWLSSA-N -1 0 319.383 -0.716 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@H]2C[C@H](O)C23CCC3)CC1 ZINC001594935708 954858285 /nfs/dbraw/zinc/85/82/85/954858285.db2.gz VXXWYDLUTLCQOX-QWRGUYRKSA-N -1 0 318.395 -0.079 20 0 DBADRM O=C([O-])[C@H]1CCN(c2nnnn2CCC(=O)N2CCCCC2)C1 ZINC001594940283 954877276 /nfs/dbraw/zinc/87/72/76/954877276.db2.gz ARSNNVKHZBTIPI-NSHDSACASA-N -1 0 322.369 -0.013 20 0 DBADRM O=C([O-])[C@H]1CCN(c2nnnn2[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC001594940687 954885839 /nfs/dbraw/zinc/88/58/39/954885839.db2.gz MJOGQLNMIGSPCU-WPRPVWTQSA-N -1 0 306.326 -0.480 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(c3cccnc3)=NO2)CCO1 ZINC001594941233 954893913 /nfs/dbraw/zinc/89/39/13/954893913.db2.gz CJPJWBYJRODGNO-NEPJUHHUSA-N -1 0 305.290 -0.113 20 0 DBADRM COC(=O)[C@](C)(O)CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001593805828 954903653 /nfs/dbraw/zinc/90/36/53/954903653.db2.gz UMXBCEUGHWAMJW-CQSZACIVSA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC001593805950 954904227 /nfs/dbraw/zinc/90/42/27/954904227.db2.gz DMEJTJWPRJGEFI-SCZZXKLOSA-N -1 0 303.311 -0.236 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NCC(=O)N2CCCC2)c1 ZINC000386421150 972052425 /nfs/dbraw/zinc/05/24/25/972052425.db2.gz ZXGBXYVVGXJEQK-UHFFFAOYSA-N -1 0 313.335 -0.320 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC001593808213 954917670 /nfs/dbraw/zinc/91/76/70/954917670.db2.gz SZUUUZIVZFLMJJ-QWRGUYRKSA-N -1 0 316.354 -0.524 20 0 DBADRM COC(=O)[C@@H](CC1CCOCC1)NC(=O)[C@H](OC)C(=O)[O-] ZINC001593808814 954920194 /nfs/dbraw/zinc/92/01/94/954920194.db2.gz XEGAXXDWNMYYSW-ZJUUUORDSA-N -1 0 303.311 -0.440 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001593810344 954929692 /nfs/dbraw/zinc/92/96/92/954929692.db2.gz CRIDCWBXIKAXBI-DCAQKATOSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)[C@@H](N[C@@H]1CCN(CC(=O)[O-])C1=O)C1CCOCC1 ZINC001593810372 954930642 /nfs/dbraw/zinc/93/06/42/954930642.db2.gz DKBCCUCZKZGPHE-PWSUYJOCSA-N -1 0 314.338 -0.770 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cn(C3CCOCC3)nn2)CCO1 ZINC001594950794 954945330 /nfs/dbraw/zinc/94/53/30/954945330.db2.gz BQQDWQJQNOEDBE-LLVKDONJSA-N -1 0 310.310 -0.445 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)NCCNS(=O)(=O)N(C)C ZINC001589474108 954945915 /nfs/dbraw/zinc/94/59/15/954945915.db2.gz OEZKCTIMEANDPG-UHFFFAOYSA-N -1 0 309.388 -0.610 20 0 DBADRM COC(=O)[C@@H](CNC(=O)c1cnc(C(=O)[O-])cn1)[C@H]1CCOC1 ZINC001593811583 954946072 /nfs/dbraw/zinc/94/60/72/954946072.db2.gz QVWWKKBYBKDPQF-IUCAKERBSA-N -1 0 323.305 -0.270 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NC[C@@](C)(O)C(=O)[O-])CCC1 ZINC001593813071 954967530 /nfs/dbraw/zinc/96/75/30/954967530.db2.gz DQWTZBOQSRKPTK-SNVBAGLBSA-N -1 0 309.340 -0.915 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)C1 ZINC001593813521 954973173 /nfs/dbraw/zinc/97/31/73/954973173.db2.gz FZFMZOSYDMPXPW-CYBMUJFWSA-N -1 0 309.278 -0.079 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)C2(CC(=O)[O-])CCOCC2)C1 ZINC001593813602 954974576 /nfs/dbraw/zinc/97/45/76/954974576.db2.gz GOJOHPLZFHRUHQ-AWEZNQCLSA-N -1 0 315.322 -0.606 20 0 DBADRM COC(=O)[C@]1(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CCOC1 ZINC001593813814 954978476 /nfs/dbraw/zinc/97/84/76/954978476.db2.gz IBDDQEJSROYTSJ-RULNRJAQSA-N -1 0 315.322 -0.295 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2CC[C@H]2CCCOC2)CCO1 ZINC001594954715 954979457 /nfs/dbraw/zinc/97/94/57/954979457.db2.gz SZUGRBLKTZIMPG-GHMZBOCLSA-N -1 0 311.342 -0.220 20 0 DBADRM COC(=O)[C@]1(CNC(=O)c2cc(C(=O)[O-])nn2C)CCOC1 ZINC001593814393 954987205 /nfs/dbraw/zinc/98/72/05/954987205.db2.gz TZNXMLJHBKGUSS-ZDUSSCGKSA-N -1 0 311.294 -0.572 20 0 DBADRM CCC(CC)(CNC(=O)C1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001589487720 954995687 /nfs/dbraw/zinc/99/56/87/954995687.db2.gz NHSIUMLMQFVWIW-UHFFFAOYSA-N -1 0 306.384 -0.115 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC001594957880 954995940 /nfs/dbraw/zinc/99/59/40/954995940.db2.gz RNUZQRVDGGLGAW-SSDOTTSWSA-N -1 0 322.281 -0.901 20 0 DBADRM COC(=O)C1=NO[C@]2(CCN(C(=O)c3cc(C(=O)[O-])n[nH]3)C2)C1 ZINC001593815251 954997566 /nfs/dbraw/zinc/99/75/66/954997566.db2.gz DDJUTAJHZDKUBP-CYBMUJFWSA-N -1 0 322.277 -0.358 20 0 DBADRM COC(=O)C12CC(C(=O)NCCOCCOCC(=O)[O-])(C1)C2 ZINC001593815493 954998679 /nfs/dbraw/zinc/99/86/79/954998679.db2.gz HRZMDOROFLJLNE-UHFFFAOYSA-N -1 0 315.322 -0.436 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(F)ccc1O ZINC001594959645 955001060 /nfs/dbraw/zinc/00/10/60/955001060.db2.gz ACCNVWKZPXARNC-SECBINFHSA-N -1 0 317.294 -0.145 20 0 DBADRM COC(=O)C1CC(OC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001593815767 955001789 /nfs/dbraw/zinc/00/17/89/955001789.db2.gz JOJQNBSYECAYBW-UDNWOFFPSA-N -1 0 313.306 -0.196 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C1CCSCC1 ZINC001594959743 955002062 /nfs/dbraw/zinc/00/20/62/955002062.db2.gz DHCOJYVOXJDZND-SECBINFHSA-N -1 0 307.393 -0.160 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1nccs1 ZINC001594960060 955006940 /nfs/dbraw/zinc/00/69/40/955006940.db2.gz NQOSNODYODKEKW-QMMMGPOBSA-N -1 0 318.376 -0.214 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccnc(F)c1 ZINC001594960147 955008768 /nfs/dbraw/zinc/00/87/68/955008768.db2.gz QJIJVRXGNOGKCJ-SECBINFHSA-N -1 0 316.310 -0.527 20 0 DBADRM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1cc(C(=O)[O-])nn1C ZINC001593817150 955010873 /nfs/dbraw/zinc/01/08/73/955010873.db2.gz ZWLXAPYFKOWPHU-ZJUUUORDSA-N -1 0 311.294 -0.743 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc2cccnn21 ZINC001594961535 955019003 /nfs/dbraw/zinc/01/90/03/955019003.db2.gz MBGCBCKSQRZXTD-NSHDSACASA-N -1 0 323.330 -0.342 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@@H](O)c1ccccn1 ZINC001594961878 955020286 /nfs/dbraw/zinc/02/02/86/955020286.db2.gz NSZUDOSFOXVZOX-WDEREUQCSA-N -1 0 300.336 -0.701 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)C[C@H]1CC(=O)N1)C[C@H]2C(=O)[O-] ZINC001593820062 955024352 /nfs/dbraw/zinc/02/43/52/955024352.db2.gz ICUDWZJVINTKPN-XJGHLBKUSA-N -1 0 324.333 -0.623 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cnc2c[nH]nc2c1 ZINC001594962886 955027635 /nfs/dbraw/zinc/02/76/35/955027635.db2.gz WULKIDGXQAZCOQ-SNVBAGLBSA-N -1 0 324.318 -0.718 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1nccn2ccnc12 ZINC001594963176 955028035 /nfs/dbraw/zinc/02/80/35/955028035.db2.gz YFQHWSBKIXVXQV-MRVPVSSYSA-N -1 0 324.318 -0.947 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1nc(CC2CC2)no1 ZINC001594966289 955060167 /nfs/dbraw/zinc/06/01/67/955060167.db2.gz XUXCQCYRGVRKQM-VIFPVBQESA-N -1 0 315.351 -0.294 20 0 DBADRM CC[C@H](CNC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1)C(=O)[O-] ZINC001589516873 955066827 /nfs/dbraw/zinc/06/68/27/955066827.db2.gz AMOZORADLHYVMP-VWYCJHECSA-N -1 0 308.338 -0.357 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1C[C@@H](O)CC(F)(F)C1)C(=O)[O-] ZINC001589519210 955084432 /nfs/dbraw/zinc/08/44/32/955084432.db2.gz PYJASSZDVNPLSX-SFYZADRCSA-N -1 0 308.281 -0.558 20 0 DBADRM COC(=O)C1CC2(C1)CN(Cc1nnn(C)n1)C[C@H]2C(=O)[O-] ZINC001593824915 955090827 /nfs/dbraw/zinc/09/08/27/955090827.db2.gz BKGXRTFJLZPOLV-JVVWGOMOSA-N -1 0 309.326 -0.704 20 0 DBADRM COC(=O)C1CC2(C1)CN(Cc1nncn1C)C[C@H]2C(=O)[O-] ZINC001593825273 955100105 /nfs/dbraw/zinc/10/01/05/955100105.db2.gz GTAAILSWLHBJPP-XIRUVYRFSA-N -1 0 308.338 -0.099 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)OC)N(C(=O)[C@@H](C)C(=O)[O-])C1 ZINC001593826049 955105370 /nfs/dbraw/zinc/10/53/70/955105370.db2.gz OHGQORATRKYOQP-HLTSFMKQSA-N -1 0 301.295 -0.340 20 0 DBADRM COC(=O)[C@H]1CN(C)CCN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001593827501 955113994 /nfs/dbraw/zinc/11/39/94/955113994.db2.gz DCSJPJKMWLRFFK-VIFPVBQESA-N -1 0 322.321 -0.648 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C[C@H]1C(=O)OC ZINC001593827761 955116657 /nfs/dbraw/zinc/11/66/57/955116657.db2.gz IIBPIMSFJVTAPJ-ZYUZMQFOSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N2CCC[C@H]2C(=O)[O-])C1=O ZINC001593827995 955119438 /nfs/dbraw/zinc/11/94/38/955119438.db2.gz CFBUXPRHMAAPMK-ZJUUUORDSA-N -1 0 312.322 -0.526 20 0 DBADRM CC[C@@H](CNC(=O)N1CCS(=O)(=O)C[C@H]1CCO)C(=O)[O-] ZINC001589528826 955141026 /nfs/dbraw/zinc/14/10/26/955141026.db2.gz OGLAACINTNZQSX-VHSXEESVSA-N -1 0 322.383 -0.712 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)NCCCCC(=O)[O-])C1=O ZINC001593830271 955145303 /nfs/dbraw/zinc/14/53/03/955145303.db2.gz YJNKSRVREHBFOS-JTQLQIEISA-N -1 0 314.338 -0.231 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)NCCCCC(=O)[O-])C1=O ZINC001593830273 955145479 /nfs/dbraw/zinc/14/54/79/955145479.db2.gz YJNKSRVREHBFOS-SNVBAGLBSA-N -1 0 314.338 -0.231 20 0 DBADRM COC(=O)CC1(NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCC1 ZINC001593832675 955165471 /nfs/dbraw/zinc/16/54/71/955165471.db2.gz GDRPRYHYFAMKCA-VIFPVBQESA-N -1 0 320.367 -0.144 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N2CCC(O)(C(=O)[O-])CC2)c1C ZINC000386697202 972074170 /nfs/dbraw/zinc/07/41/70/972074170.db2.gz TXKIVPKECPUMRE-UHFFFAOYSA-N -1 0 309.322 -0.551 20 0 DBADRM COC(=O)CC1(CNC(=O)[C@H](OC)C(=O)[O-])CCOCC1 ZINC001593833096 955168879 /nfs/dbraw/zinc/16/88/79/955168879.db2.gz ODVJDYQIXKBNAC-JTQLQIEISA-N -1 0 303.311 -0.438 20 0 DBADRM COC(=O)CC1(CNC(=O)[C@@H](OC)C(=O)[O-])CCOCC1 ZINC001593833097 955169343 /nfs/dbraw/zinc/16/93/43/955169343.db2.gz ODVJDYQIXKBNAC-SNVBAGLBSA-N -1 0 303.311 -0.438 20 0 DBADRM CC[C@@H](CNC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001589550889 955214670 /nfs/dbraw/zinc/21/46/70/955214670.db2.gz MCFRCIVEDLBODF-YUMQZZPRSA-N -1 0 311.298 -0.773 20 0 DBADRM CC[C@@H](CNC(=O)c1cccn(CC(=O)[O-])c1=O)C(=O)OC ZINC001589551129 955215860 /nfs/dbraw/zinc/21/58/60/955215860.db2.gz UYRMXUAUHGRWPF-VIFPVBQESA-N -1 0 310.306 -0.138 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C1(O)Cc2ccccc2C1 ZINC001593836044 955313386 /nfs/dbraw/zinc/31/33/86/955313386.db2.gz PLYQJWWMECLTQU-UHFFFAOYSA-N -1 0 321.329 -0.007 20 0 DBADRM Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000386852195 972085361 /nfs/dbraw/zinc/08/53/61/972085361.db2.gz VMEICECVKWZVHA-CYBMUJFWSA-N -1 0 307.262 -0.102 20 0 DBADRM Cc1noc(CCCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC001594500105 955317224 /nfs/dbraw/zinc/31/72/24/955317224.db2.gz LTCXAVJPNKHKFB-SECBINFHSA-N -1 0 310.310 -0.640 20 0 DBADRM COC(=O)C[C@@H]1CSCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001593836626 955318410 /nfs/dbraw/zinc/31/84/10/955318410.db2.gz CPLCPSIDTKPHDF-ZJUUUORDSA-N -1 0 316.379 -0.348 20 0 DBADRM Cc1noc(CNC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)n1 ZINC001594500551 955318437 /nfs/dbraw/zinc/31/84/37/955318437.db2.gz TWAUIKKREKQHTQ-UHFFFAOYSA-N -1 0 305.250 -0.274 20 0 DBADRM Cc1noc(CCCN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001594500569 955318699 /nfs/dbraw/zinc/31/86/99/955318699.db2.gz UHKGOHOWGZSTOJ-SECBINFHSA-N -1 0 303.340 -0.506 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cnc3sccn3c2=O)C1 ZINC000386857711 972085826 /nfs/dbraw/zinc/08/58/26/972085826.db2.gz WDFKYCGIFDJJDC-LBPRGKRZSA-N -1 0 309.303 -0.582 20 0 DBADRM Cc1noc2ncc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc12 ZINC001594501852 955328574 /nfs/dbraw/zinc/32/85/74/955328574.db2.gz PUYWSIHMHNFVOL-LLVKDONJSA-N -1 0 315.307 -0.355 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)CS(=O)(=O)CC(C)C ZINC001593838852 955332903 /nfs/dbraw/zinc/33/29/03/955332903.db2.gz BBBQGCFPCAAQJH-UHFFFAOYSA-N -1 0 323.367 -0.467 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc2c(n1)OCCO2 ZINC001593838947 955334548 /nfs/dbraw/zinc/33/45/48/955334548.db2.gz UHSCOZFAJPQFMR-UHFFFAOYSA-N -1 0 324.289 -0.057 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@H](C)C(=O)[O-] ZINC001594502681 955338241 /nfs/dbraw/zinc/33/82/41/955338241.db2.gz OHBTYMWSYXSCPD-ZCFIWIBFSA-N -1 0 305.312 -0.841 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CSCN1C(C)=O ZINC001593839465 955343463 /nfs/dbraw/zinc/34/34/63/955343463.db2.gz ISVLYVKYOYHBGY-VIFPVBQESA-N -1 0 318.351 -0.616 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(C)C1=O ZINC001593839568 955344841 /nfs/dbraw/zinc/34/48/41/955344841.db2.gz LPKMWYVIEHXMGV-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)CCN1CCCC1=O ZINC001593839753 955348816 /nfs/dbraw/zinc/34/88/16/955348816.db2.gz USGWNMPOEBPWNJ-UHFFFAOYSA-N -1 0 300.311 -0.525 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CCCCN1C(C)=O ZINC001593839827 955350026 /nfs/dbraw/zinc/35/00/26/955350026.db2.gz XOCJIJMZCMUYKK-LLVKDONJSA-N -1 0 314.338 -0.136 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1ccnc2[nH]c(=O)[nH]c21 ZINC001593839951 955351355 /nfs/dbraw/zinc/35/13/55/955351355.db2.gz FXCZJINJKPUJLK-UHFFFAOYSA-N -1 0 322.277 -0.247 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589006467 955366631 /nfs/dbraw/zinc/36/66/31/955366631.db2.gz GPQFCRIQHVBXKH-BDAKNGLRSA-N -1 0 314.342 -0.985 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC001593841828 955372623 /nfs/dbraw/zinc/37/26/23/955372623.db2.gz MUCMVCXZTJDGBD-VIFPVBQESA-N -1 0 323.367 -0.167 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)CCn1ccnc1 ZINC001593841792 955373921 /nfs/dbraw/zinc/37/39/21/955373921.db2.gz MCDCIIGDBFGKFX-UHFFFAOYSA-N -1 0 319.339 -0.837 20 0 DBADRM Cc1sc(=O)n(CC(=O)Nc2ncn(CC(=O)[O-])n2)c1C ZINC001594510620 955387959 /nfs/dbraw/zinc/38/79/59/955387959.db2.gz MTBWHBYLJFBLBD-UHFFFAOYSA-N -1 0 311.323 -0.159 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1c(C)onc1CO)C(=O)[O-] ZINC001593844139 955389949 /nfs/dbraw/zinc/38/99/49/955389949.db2.gz OUCFJBWRIYWBMJ-ZETCQYMHSA-N -1 0 300.267 -0.388 20 0 DBADRM Cc1sc(S(N)(=O)=O)cc1C(=O)OCC(=O)C(=O)[O-] ZINC001594511453 955394765 /nfs/dbraw/zinc/39/47/65/955394765.db2.gz SOJASIATHPXADL-UHFFFAOYSA-N -1 0 307.305 -0.486 20 0 DBADRM C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589013316 955400255 /nfs/dbraw/zinc/40/02/55/955400255.db2.gz UTXIRAPDNUORKE-VHSXEESVSA-N -1 0 324.337 -0.163 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CCCNC(=O)OC)C(=O)[O-] ZINC001593845624 955410145 /nfs/dbraw/zinc/41/01/45/955410145.db2.gz IDGRSYIWDKOYRV-QMMMGPOBSA-N -1 0 304.299 -0.355 20 0 DBADRM COC(=O)CC[C@H](NC(=O)C[C@H]1CCCC(=O)N1)C(=O)[O-] ZINC001593845599 955410676 /nfs/dbraw/zinc/41/06/76/955410676.db2.gz HOYLHSMRFJASAL-BDAKNGLRSA-N -1 0 300.311 -0.432 20 0 DBADRM Cn1c(C(=O)OCC(=O)NCC(=O)[O-])cc2ccccc2c1=O ZINC001594517669 955428169 /nfs/dbraw/zinc/42/81/69/955428169.db2.gz HNETZWUQIOIPFO-UHFFFAOYSA-N -1 0 318.285 -0.104 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NCC1([S@](C)=O)CCC1)C(=O)[O-] ZINC001589019704 955456841 /nfs/dbraw/zinc/45/68/41/955456841.db2.gz IRHNCWFJOFWAOL-BTKVJGODSA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1nnn[n-]1 ZINC001589019868 955460565 /nfs/dbraw/zinc/46/05/65/955460565.db2.gz WWPBMICZKSBNNW-DTWKUNHWSA-N -1 0 324.341 -0.915 20 0 DBADRM COC(=O)CNC(=O)c1ccc(NC(=O)[C@@H](OC)C(=O)[O-])cc1 ZINC001593851407 955463531 /nfs/dbraw/zinc/46/35/31/955463531.db2.gz LVWFHEQXBZEAAK-LLVKDONJSA-N -1 0 324.289 -0.373 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@H](OCCO)C1)C(=O)[O-] ZINC001589020797 955469017 /nfs/dbraw/zinc/46/90/17/955469017.db2.gz WTQSWMSKQSSAHW-QWRGUYRKSA-N -1 0 316.354 -0.835 20 0 DBADRM Cc1cc(C)n(CCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC000387037566 972099077 /nfs/dbraw/zinc/09/90/77/972099077.db2.gz GCBOKEBGYKLHCD-LLVKDONJSA-N -1 0 308.338 -0.308 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)NC[C@](C)(O)C(=O)[O-])n1 ZINC001593855363 955492371 /nfs/dbraw/zinc/49/23/71/955492371.db2.gz BGKHSTQJCKBULK-NSHDSACASA-N -1 0 300.271 -0.987 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)n1 ZINC001593855401 955492707 /nfs/dbraw/zinc/49/27/07/955492707.db2.gz FEOILXQIQVIOMG-LBPRGKRZSA-N -1 0 312.282 -0.579 20 0 DBADRM C[C@H](CN(C)S(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)[O-] ZINC001589033308 955534353 /nfs/dbraw/zinc/53/43/53/955534353.db2.gz BCLUUEJFDBRJPL-GJEGPGMTSA-N -1 0 301.390 -0.542 20 0 DBADRM COC(=O)N(C)CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001593855948 955502728 /nfs/dbraw/zinc/50/27/28/955502728.db2.gz PPRKAWIYWCYLEC-UHFFFAOYSA-N -1 0 323.371 -0.684 20 0 DBADRM COC(=O)N1CCC(C(=O)N2CCOC[C@@H]2C(=O)[O-])CC1 ZINC001593856867 955508920 /nfs/dbraw/zinc/50/89/20/955508920.db2.gz PMLVEPJZBGWBFJ-SNVBAGLBSA-N -1 0 300.311 -0.223 20 0 DBADRM Cn1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])c(Br)n1 ZINC001594526884 955509257 /nfs/dbraw/zinc/50/92/57/955509257.db2.gz OOLIRKNIPFWLTE-SECBINFHSA-N -1 0 306.116 -0.252 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)N1CCOC[C@H]1C(=O)[O-])c2=O ZINC001594527270 955511601 /nfs/dbraw/zinc/51/16/01/955511601.db2.gz ZRRBBOLPOYFYKW-JTQLQIEISA-N -1 0 320.305 -0.802 20 0 DBADRM CN(Cc1ccco1)C(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000387088190 972102981 /nfs/dbraw/zinc/10/29/81/972102981.db2.gz RBCPASUJNGIUBH-LLVKDONJSA-N -1 0 309.322 -0.487 20 0 DBADRM COC(=O)NCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001593858795 955525654 /nfs/dbraw/zinc/52/56/54/955525654.db2.gz ZNFAEAMIQKPQMN-UHFFFAOYSA-N -1 0 309.278 -0.205 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593860376 955531871 /nfs/dbraw/zinc/53/18/71/955531871.db2.gz BWERGGSVSSIWBS-UTLUCORTSA-N -1 0 312.322 -0.623 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cn1 ZINC001594531038 955533156 /nfs/dbraw/zinc/53/31/56/955533156.db2.gz FQAJLPYGGHYWSS-NWDGAFQWSA-N -1 0 304.306 -0.339 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C[C@H]1C ZINC001593861518 955552675 /nfs/dbraw/zinc/55/26/75/955552675.db2.gz WKNSTODFLUEOQJ-KXUCPTDWSA-N -1 0 312.322 -0.813 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001593862478 955555129 /nfs/dbraw/zinc/55/51/29/955555129.db2.gz HNNPWTYITWXPIP-IVZWLZJFSA-N -1 0 302.327 -0.073 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC001589037005 955555609 /nfs/dbraw/zinc/55/56/09/955555609.db2.gz QAFVLLUHQWJIED-RQJHMYQMSA-N -1 0 312.244 -0.387 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H](C)c1nnc2n1CCC2)C(=O)[O-] ZINC001589037025 955556697 /nfs/dbraw/zinc/55/66/97/955556697.db2.gz RAQWOZSLSUBEBE-SFYZADRCSA-N -1 0 309.326 -0.762 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCC(=O)[O-])CC1(C)OCCO1 ZINC001589037226 955559661 /nfs/dbraw/zinc/55/96/61/955559661.db2.gz ZSARHZCMTOPTCA-SECBINFHSA-N -1 0 302.327 -0.517 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNC(=O)[C@]2(C(=O)[O-])CCCO2)C1(F)F ZINC001593862800 955560214 /nfs/dbraw/zinc/56/02/14/955560214.db2.gz SXZWJBCLHRDJGK-HFJPGXAFSA-N -1 0 307.249 -0.209 20 0 DBADRM C[C@@H](CN(C)c1nnnn1CC[C@@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC001589038281 955566828 /nfs/dbraw/zinc/56/68/28/955566828.db2.gz NFJIFEDEBJLPHL-VHSXEESVSA-N -1 0 310.358 -0.302 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])C1 ZINC001593865253 955573263 /nfs/dbraw/zinc/57/32/63/955573263.db2.gz IRIMHDGWQGCXHP-YIZRAAEISA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001593865592 955573910 /nfs/dbraw/zinc/57/39/10/955573910.db2.gz PRPAAVGDZDJWGK-AOOOYVTPSA-N -1 0 322.317 -0.044 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC(O)(C2CCC2)CC1)C(=O)[O-] ZINC001589038908 955574149 /nfs/dbraw/zinc/57/41/49/955574149.db2.gz JPOKNYZQEQQBFF-JTQLQIEISA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)CCC(=O)[O-])CN1CCOCC1 ZINC001589039296 955580053 /nfs/dbraw/zinc/58/00/53/955580053.db2.gz MIZYVOJUXCVRCU-LLVKDONJSA-N -1 0 315.370 -0.996 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NC[C@@H](C)C(=O)[O-] ZINC001589040466 955594207 /nfs/dbraw/zinc/59/42/07/955594207.db2.gz YLNISCAENSSYAJ-FXPVBKGRSA-N -1 0 300.355 -0.121 20 0 DBADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)[C@H]3CCC(=O)N3)C2)cn1 ZINC001594539644 955622422 /nfs/dbraw/zinc/62/24/22/955622422.db2.gz OOECGLBNVVMJJX-HOSYDEDBSA-N -1 0 320.349 -0.285 20 0 DBADRM C[C@@](CNC(=O)C[C@@H]1NC(=O)NC1=O)(C(=O)[O-])c1ccccc1 ZINC001589046191 955628682 /nfs/dbraw/zinc/62/86/82/955628682.db2.gz WGDXFTYUXNLTQC-BONVTDFDSA-N -1 0 319.317 -0.257 20 0 DBADRM COC(=O)c1cc(C(C)(C)NC(=O)[C@@H](OC)C(=O)[O-])no1 ZINC001593870587 955629489 /nfs/dbraw/zinc/62/94/89/955629489.db2.gz XFYNOXWYJATZTM-MRVPVSSYSA-N -1 0 300.267 -0.088 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)[C@@H]3COC(=O)N3)C2)cn1 ZINC001594540091 955631077 /nfs/dbraw/zinc/63/10/77/955631077.db2.gz POYQFXXICAGWMA-YWVKMMECSA-N -1 0 322.321 -0.455 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cn1C ZINC001593871435 955636827 /nfs/dbraw/zinc/63/68/27/955636827.db2.gz HTIKNNMQFPCJDO-VIFPVBQESA-N -1 0 323.305 -0.174 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cn1 ZINC001594541776 955659671 /nfs/dbraw/zinc/65/96/71/955659671.db2.gz NOEPYMMTFTULAS-AWEZNQCLSA-N -1 0 308.338 -0.598 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)CCC(=O)[O-])n(C)c1 ZINC001593875283 955660165 /nfs/dbraw/zinc/66/01/65/955660165.db2.gz FOMQNXYITUWRSA-UHFFFAOYSA-N -1 0 304.324 -0.093 20 0 DBADRM COCCn1nc(C(=O)N2CCC[C@H]2CC(=O)[O-])ccc1=O ZINC000387293409 972116271 /nfs/dbraw/zinc/11/62/71/972116271.db2.gz OUEFCLRLHWZZFV-JTQLQIEISA-N -1 0 309.322 -0.031 20 0 DBADRM Cn1cc(CNC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)nn1 ZINC001594542830 955667308 /nfs/dbraw/zinc/66/73/08/955667308.db2.gz KXVYFAYIKNAVKF-UHFFFAOYSA-N -1 0 304.266 -0.837 20 0 DBADRM Cn1cc(CNC(=O)NCCOCCOCC(=O)[O-])cn1 ZINC001594543006 955669727 /nfs/dbraw/zinc/66/97/27/955669727.db2.gz AXROKUUVGOCQPN-UHFFFAOYSA-N -1 0 300.315 -0.663 20 0 DBADRM COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)[C@H](OC)C(=O)[O-] ZINC001593876018 955671087 /nfs/dbraw/zinc/67/10/87/955671087.db2.gz OOOAVIAOIMHUGT-XCBNKYQSSA-N -1 0 311.294 -0.280 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC001593876585 955677566 /nfs/dbraw/zinc/67/75/66/955677566.db2.gz WLCWYGZDDWSBBN-YMTOWFKASA-N -1 0 323.305 -0.980 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])CCC2=O)cn1 ZINC001594545331 955681387 /nfs/dbraw/zinc/68/13/87/955681387.db2.gz CBKHZMFRMAHUBX-YMTOWFKASA-N -1 0 324.337 -0.885 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)[C@@]3(C(=O)[O-])CCCO3)C2=O)cn1 ZINC001594545895 955684478 /nfs/dbraw/zinc/68/44/78/955684478.db2.gz JIANBUPNUFKYQC-QMTHXVAHSA-N -1 0 322.321 -0.725 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N3CCOC[C@@H]3C(=O)[O-])CC2=O)cn1 ZINC001594546418 955686766 /nfs/dbraw/zinc/68/67/66/955686766.db2.gz PBKGVBACGWGUTC-GXSJLCMTSA-N -1 0 322.321 -0.915 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N3CCO[C@H](C(=O)[O-])C3)CC2=O)cn1 ZINC001594546479 955687357 /nfs/dbraw/zinc/68/73/57/955687357.db2.gz RKBAKYVDCOROPP-ONGXEEELSA-N -1 0 322.321 -0.915 20 0 DBADRM Cn1cc(N2CCC[C@@H](OC(=O)COCC(=O)[O-])C2=O)cn1 ZINC001594546587 955689221 /nfs/dbraw/zinc/68/92/21/955689221.db2.gz VNRTYOJOSCPFSU-SNVBAGLBSA-N -1 0 311.294 -0.440 20 0 DBADRM Cn1cc(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)nn1 ZINC001594547989 955693577 /nfs/dbraw/zinc/69/35/77/955693577.db2.gz FTXUHTUDAXSRBL-UHFFFAOYSA-N -1 0 302.312 -0.967 20 0 DBADRM Cn1cc(S(=O)(=O)NCCCCCC(=O)[O-])c(=O)[nH]c1=O ZINC001594549367 955709654 /nfs/dbraw/zinc/70/96/54/955709654.db2.gz HXFARCPXDCXQJI-UHFFFAOYSA-N -1 0 319.339 -0.591 20 0 DBADRM Cn1ccc(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)n1 ZINC001594549703 955714133 /nfs/dbraw/zinc/71/41/33/955714133.db2.gz PNKDZHZNTGXRDH-JTQLQIEISA-N -1 0 320.349 -0.042 20 0 DBADRM COC(=O)c1cccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001593884442 955732914 /nfs/dbraw/zinc/73/29/14/955732914.db2.gz AYHVXZHEPHDHRX-CQSZACIVSA-N -1 0 324.289 -0.637 20 0 DBADRM C[C@@H](CNC(=O)c1cn(CC(=O)[O-])nn1)CN1CCOCC1 ZINC001589064246 955742660 /nfs/dbraw/zinc/74/26/60/955742660.db2.gz VKVHYIOZWOAKRH-JTQLQIEISA-N -1 0 311.342 -0.939 20 0 DBADRM Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C(C)(C)CO ZINC001594553790 955743290 /nfs/dbraw/zinc/74/32/90/955743290.db2.gz DQZSPPQNLAPPJA-VHSXEESVSA-N -1 0 324.337 -0.175 20 0 DBADRM COC(=O)c1cccn(CC(=O)N[C@@H](C(=O)[O-])C(C)C)c1=O ZINC001593888549 955765261 /nfs/dbraw/zinc/76/52/61/955765261.db2.gz DZEXAMSKNSOJAV-LLVKDONJSA-N -1 0 310.306 -0.140 20 0 DBADRM COC(=O)c1cnc([C@@H](C)NCC(=O)NCC(=O)[O-])s1 ZINC001593890226 955770761 /nfs/dbraw/zinc/77/07/61/955770761.db2.gz AQBLSMSXMVNVIO-ZCFIWIBFSA-N -1 0 301.324 -0.219 20 0 DBADRM Cn1cnc(CCCNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001594557795 955780790 /nfs/dbraw/zinc/78/07/90/955780790.db2.gz KGKACLOOZRSQLR-JTQLQIEISA-N -1 0 323.353 -0.813 20 0 DBADRM Cn1cnc2cc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])ccc21 ZINC001594557782 955781357 /nfs/dbraw/zinc/78/13/57/955781357.db2.gz XVURYQOWOGIMDX-LBPRGKRZSA-N -1 0 313.335 -0.313 20 0 DBADRM Cn1cnc(CCNC(=O)COCC(=O)[O-])c1Br ZINC001594558033 955784179 /nfs/dbraw/zinc/78/41/79/955784179.db2.gz TTWLPFSIMBOFEH-UHFFFAOYSA-N -1 0 320.143 -0.058 20 0 DBADRM Cn1cncc1CCCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594558398 955785964 /nfs/dbraw/zinc/78/59/64/955785964.db2.gz FGVASJIJFDFABD-LLVKDONJSA-N -1 0 301.368 -0.464 20 0 DBADRM COC(=O)c1ccncc1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001593891599 955788584 /nfs/dbraw/zinc/78/85/84/955788584.db2.gz KMAYPXKAPQFINF-SNVBAGLBSA-N -1 0 322.273 -0.290 20 0 DBADRM Cn1cnn(CCC(=O)NCc2ccccc2C(=O)[O-])c1=O ZINC001594558742 955791050 /nfs/dbraw/zinc/79/10/50/955791050.db2.gz SQASBRCQGLKXRL-UHFFFAOYSA-N -1 0 304.306 -0.014 20 0 DBADRM Cn1cnn(CCC(=O)N(CC(=O)[O-])C2CCOCC2)c1=O ZINC001594558874 955791845 /nfs/dbraw/zinc/79/18/45/955791845.db2.gz ZFPUMMJCVNXGGI-UHFFFAOYSA-N -1 0 312.326 -0.936 20 0 DBADRM C[C@@H](CO)CCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001589073612 955794492 /nfs/dbraw/zinc/79/44/92/955794492.db2.gz QZIKPPOGHHATFM-QMTHXVAHSA-N -1 0 300.355 -0.166 20 0 DBADRM Cn1cnnc1SCC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001594559428 955795686 /nfs/dbraw/zinc/79/56/86/955795686.db2.gz GPURHQCGADYBMA-UHFFFAOYSA-N -1 0 314.367 -0.095 20 0 DBADRM C[C@H](CO)CCCNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001589073635 955796091 /nfs/dbraw/zinc/79/60/91/955796091.db2.gz SDNFZUHTUKLRBY-WDEREUQCSA-N -1 0 300.355 -0.166 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001589074990 955802473 /nfs/dbraw/zinc/80/24/73/955802473.db2.gz HHDOJZMCVPJLPD-VWYCJHECSA-N -1 0 314.338 -0.770 20 0 DBADRM COC(=O)c1cnn(C)c1NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001593894016 955810634 /nfs/dbraw/zinc/81/06/34/955810634.db2.gz PNLSRGLUUUWMRE-QMMMGPOBSA-N -1 0 312.282 -0.476 20 0 DBADRM COC(=O)c1cnccc1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001593894033 955810641 /nfs/dbraw/zinc/81/06/41/955810641.db2.gz QABHZKCUZOXRPU-SNVBAGLBSA-N -1 0 322.273 -0.290 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001589075920 955810989 /nfs/dbraw/zinc/81/09/89/955810989.db2.gz BGICBHHNPULFFY-CBAPKCEASA-N -1 0 303.340 -0.657 20 0 DBADRM Cn1nc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cc1C=O ZINC001594563502 955815143 /nfs/dbraw/zinc/81/51/43/955815143.db2.gz STPUPHJVVBUMGE-JTQLQIEISA-N -1 0 322.321 -0.572 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN(CCO)C(C)(C)C1 ZINC001594563618 955816444 /nfs/dbraw/zinc/81/64/44/955816444.db2.gz HYLOPKHYUMMIBS-UHFFFAOYSA-N -1 0 310.354 -0.353 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCC(C)(C)CS(C)(=O)=O ZINC001594564782 955830838 /nfs/dbraw/zinc/83/08/38/955830838.db2.gz FGPNAQWRELDIDN-UHFFFAOYSA-N -1 0 317.367 -0.081 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001594565543 955841402 /nfs/dbraw/zinc/84/14/02/955841402.db2.gz GTXLUXZCRAVXEH-ZETCQYMHSA-N -1 0 301.324 -0.717 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589081621 955860549 /nfs/dbraw/zinc/86/05/49/955860549.db2.gz WNOYFOCOFUZHKS-QWRGUYRKSA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589081620 955860841 /nfs/dbraw/zinc/86/08/41/955860841.db2.gz WNOYFOCOFUZHKS-MNOVXSKESA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589081619 955860864 /nfs/dbraw/zinc/86/08/64/955860864.db2.gz WNOYFOCOFUZHKS-GHMZBOCLSA-N -1 0 308.338 -0.289 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001593901862 955875976 /nfs/dbraw/zinc/87/59/76/955875976.db2.gz GUGZHGAAVKSEOL-BQBZGAKWSA-N -1 0 312.244 -0.387 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CCN(c2nccnn2)CC1 ZINC001594571227 955876730 /nfs/dbraw/zinc/87/67/30/955876730.db2.gz DSDLHOHFNARHDS-UHFFFAOYSA-N -1 0 303.326 -0.375 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CC2(CCOCC2)CC[C@@H]1CO ZINC001593901975 955879583 /nfs/dbraw/zinc/87/95/83/955879583.db2.gz JUMQIPXIELXVGY-MNOVXSKESA-N -1 0 301.339 -0.134 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CCN(S(C)(=O)=O)CC1 ZINC001594571366 955879969 /nfs/dbraw/zinc/87/99/69/955879969.db2.gz LXKCNYOOKHIXPI-UHFFFAOYSA-N -1 0 302.356 -0.805 20 0 DBADRM C[C@H](Cc1c[nH]cn1)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001589083532 955881035 /nfs/dbraw/zinc/88/10/35/955881035.db2.gz NJQQYNOXXUWFSP-SCZZXKLOSA-N -1 0 315.351 -0.702 20 0 DBADRM C[C@H](Cc1cnn(C)c1)C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001589083776 955884472 /nfs/dbraw/zinc/88/44/72/955884472.db2.gz ROPBVLWTMUWXFH-KOLCDFICSA-N -1 0 309.322 -0.173 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC001593904211 955891639 /nfs/dbraw/zinc/89/16/39/955891639.db2.gz CLVWIOGELWVFQH-NXEZZACHSA-N -1 0 305.352 -0.488 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCOC[C@H]1C(=O)OC(C)(C)C ZINC001593904890 955899986 /nfs/dbraw/zinc/89/99/86/955899986.db2.gz CRCUDWAPFYUYLU-DTWKUNHWSA-N -1 0 303.311 -0.345 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(CCc2ccncc2)CC1 ZINC001593904896 955900066 /nfs/dbraw/zinc/90/00/66/955900066.db2.gz CRLHSKBTJUWCBB-ZDUSSCGKSA-N -1 0 307.350 -0.132 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001594572127 955900335 /nfs/dbraw/zinc/90/03/35/955900335.db2.gz VDBORMVRQLGUQZ-CYBMUJFWSA-N -1 0 322.365 -0.059 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)c2cccn2C)CC1 ZINC001593905904 955913054 /nfs/dbraw/zinc/91/30/54/955913054.db2.gz LRXQXNNPOVMQSO-LLVKDONJSA-N -1 0 309.322 -0.591 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC001593906123 955915599 /nfs/dbraw/zinc/91/55/99/955915599.db2.gz PZSJVQVHYGCLKO-GUBZILKMSA-N -1 0 303.311 -0.535 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001593906837 955928815 /nfs/dbraw/zinc/92/88/15/955928815.db2.gz JYWBCLBATOAPEI-IUCAKERBSA-N -1 0 305.352 -0.298 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001593906836 955929057 /nfs/dbraw/zinc/92/90/57/955929057.db2.gz JYWBCLBATOAPEI-DTWKUNHWSA-N -1 0 305.352 -0.298 20 0 DBADRM Cn1nc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1C1CC1 ZINC001594577504 955932600 /nfs/dbraw/zinc/93/26/00/955932600.db2.gz YAEOITVMKOQYAR-JTQLQIEISA-N -1 0 320.349 -0.153 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC001593907263 955936691 /nfs/dbraw/zinc/93/66/91/955936691.db2.gz BNYBGIQSMSDLJE-JTQLQIEISA-N -1 0 316.335 -0.819 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC1CN(c2nccn3nc(C)cc23)C1 ZINC001593907547 955941262 /nfs/dbraw/zinc/94/12/62/955941262.db2.gz ZXHCQOKYGRKYGS-NSHDSACASA-N -1 0 319.321 -0.558 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC001593908470 955952422 /nfs/dbraw/zinc/95/24/22/955952422.db2.gz YRZMSQDOOQYADY-BBBLOLIVSA-N -1 0 322.383 -0.690 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1cn(C(C)(C)C)c(=O)[nH]c1=O ZINC001593908685 955953991 /nfs/dbraw/zinc/95/39/91/955953991.db2.gz KMZKGTRVTLUKAV-MRVPVSSYSA-N -1 0 313.310 -0.580 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1nc(CN2CCCCC2)no1 ZINC001593908890 955954925 /nfs/dbraw/zinc/95/49/25/955954925.db2.gz NXQKSGLBZDLKGE-LLVKDONJSA-N -1 0 312.326 -0.229 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1nc(CN2CCCCC2)no1 ZINC001593908892 955955094 /nfs/dbraw/zinc/95/50/94/955955094.db2.gz NXQKSGLBZDLKGE-NSHDSACASA-N -1 0 312.326 -0.229 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ccn(C)n1 ZINC001589092279 955956142 /nfs/dbraw/zinc/95/61/42/955956142.db2.gz MTTYHZZKTCOJDB-NXEZZACHSA-N -1 0 308.338 -0.080 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001593911922 955974123 /nfs/dbraw/zinc/97/41/23/955974123.db2.gz UKROXJWLLUHTNW-HLTSFMKQSA-N -1 0 318.326 -0.818 20 0 DBADRM C[C@@H](NC(=O)COC(=O)[C@@H](C)C(=O)[O-])C(=O)N1CCCCC1 ZINC001589095424 955983175 /nfs/dbraw/zinc/98/31/75/955983175.db2.gz DVTGNQXFFYKEDP-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM Cn1ncc(C(=O)OCC(=O)NCC(=O)[O-])c1Br ZINC001594582964 955988388 /nfs/dbraw/zinc/98/83/88/955988388.db2.gz GBXLBTCSQWMTIN-UHFFFAOYSA-N -1 0 320.099 -0.460 20 0 DBADRM Cn1ncc2c1nc(N)nc2N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001594586118 956000315 /nfs/dbraw/zinc/00/03/15/956000315.db2.gz KKRNLASQVYEYEC-FUXBKTLASA-N -1 0 304.310 -0.517 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)O[C@@H]1CCN(C2CCOCC2)C1=O ZINC001593915809 956019690 /nfs/dbraw/zinc/01/96/90/956019690.db2.gz RWMCCWKKKYBPKR-NXEZZACHSA-N -1 0 301.295 -0.591 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CS(=O)(=O)C1CC1)C(=O)[O-] ZINC001594588855 956028573 /nfs/dbraw/zinc/02/85/73/956028573.db2.gz KQMVSUGWGPGJFO-JTQLQIEISA-N -1 0 301.324 -0.761 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CCOC[C@H]1CC(=O)[O-] ZINC000388007465 972151677 /nfs/dbraw/zinc/15/16/77/972151677.db2.gz GIVDRGGTNIKBJQ-LLVKDONJSA-N -1 0 315.370 -0.854 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)Cc1nc2ncccn2n1)C(=O)[O-] ZINC001594589483 956038895 /nfs/dbraw/zinc/03/88/95/956038895.db2.gz WTXSUYLZRIRTGG-LLVKDONJSA-N -1 0 315.293 -0.658 20 0 DBADRM Cn1nccc1[C@H](NC(=O)c1ccnc2[nH]c(=O)[nH]c21)C(=O)[O-] ZINC001594590541 956054999 /nfs/dbraw/zinc/05/49/99/956054999.db2.gz RNRXTHGFSTVARU-VIFPVBQESA-N -1 0 316.277 -0.047 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)c1ccnc2[nH]c(=O)[nH]c21)C(=O)[O-] ZINC001594590540 956055395 /nfs/dbraw/zinc/05/53/95/956055395.db2.gz RNRXTHGFSTVARU-SECBINFHSA-N -1 0 316.277 -0.047 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)c1cnn2c1NCCC2)C(=O)[O-] ZINC001594590613 956056294 /nfs/dbraw/zinc/05/62/94/956056294.db2.gz UOIPSBBQCUFZQN-SNVBAGLBSA-N -1 0 304.310 -0.012 20 0 DBADRM Cn1nccc1[C@H](O)C1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC001594592122 956060116 /nfs/dbraw/zinc/06/01/16/956060116.db2.gz CVBIACMTQNECBZ-CQSZACIVSA-N -1 0 310.354 -0.634 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC001593921874 956086616 /nfs/dbraw/zinc/08/66/16/956086616.db2.gz BRKLNDGEVSDWLA-KWQFWETISA-N -1 0 308.356 -0.997 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC001593922072 956089499 /nfs/dbraw/zinc/08/94/99/956089499.db2.gz GKSMWEGOUJKWQG-ZDUSSCGKSA-N -1 0 311.342 -0.753 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC[C@H](N2CCOCC2)C1 ZINC001593922220 956092376 /nfs/dbraw/zinc/09/23/76/956092376.db2.gz HKNUXTNBNVKMFP-FZMZJTMJSA-N -1 0 300.355 -0.201 20 0 DBADRM Cn1nccc1[C@@H]1COCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001594596628 956098157 /nfs/dbraw/zinc/09/81/57/956098157.db2.gz GLNNXCAZUFLGOS-NEPJUHHUSA-N -1 0 308.338 -0.521 20 0 DBADRM Cn1nnc2c1CC[C@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)C2 ZINC001594597193 956103573 /nfs/dbraw/zinc/10/35/73/956103573.db2.gz UEKFJHLPLMAZQZ-QMMMGPOBSA-N -1 0 319.325 -0.225 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCCn2ccnc2)nn1 ZINC000388071762 972154441 /nfs/dbraw/zinc/15/44/41/972154441.db2.gz KYLFZIZIXLLQFP-UHFFFAOYSA-N -1 0 307.314 -0.438 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001593924908 956107811 /nfs/dbraw/zinc/10/78/11/956107811.db2.gz DGLULKQMESTWKD-AMIZOPFISA-N -1 0 310.310 -0.633 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC001593925109 956110735 /nfs/dbraw/zinc/11/07/35/956110735.db2.gz KITBNQNHVRXDQL-AWEZNQCLSA-N -1 0 315.370 -0.855 20 0 DBADRM Cn1nnnc1-c1ccc(NC(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC001594598132 956111936 /nfs/dbraw/zinc/11/19/36/956111936.db2.gz KHTKUCRFMMKCJF-ZDUSSCGKSA-N -1 0 320.309 -0.166 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC001594598239 956113207 /nfs/dbraw/zinc/11/32/07/956113207.db2.gz OGFFWFGWKGDFLH-HWKANZROSA-N -1 0 318.289 -0.151 20 0 DBADRM Cn1nnc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1C(F)(F)F ZINC001594598854 956117001 /nfs/dbraw/zinc/11/70/01/956117001.db2.gz CPAGUQVUMUNFAH-RXMQYKEDSA-N -1 0 308.216 -0.241 20 0 DBADRM Cn1nnnc1CCCNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001594601030 956128543 /nfs/dbraw/zinc/12/85/43/956128543.db2.gz IYIHWJKEQPKKTD-NXEZZACHSA-N -1 0 311.342 -0.471 20 0 DBADRM COCCN1C[C@H](C(=O)N2CCOC[C@@H]2CC(=O)[O-])CC1=O ZINC000388139766 972156709 /nfs/dbraw/zinc/15/67/09/972156709.db2.gz FYAHDKFZMIQVEQ-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc([C@@H]2NC(=O)NC2=O)cc1 ZINC001593929395 956155953 /nfs/dbraw/zinc/15/59/53/956155953.db2.gz CUWLLIRUEFQCRP-LKFCYVNXSA-N -1 0 321.289 -0.005 20 0 DBADRM C[C@H](NS(=O)(=O)c1cccs1)C(=O)OCC(=O)C(=O)[O-] ZINC001589131809 956202506 /nfs/dbraw/zinc/20/25/06/956202506.db2.gz BYJSGKYKAWJITP-LURJTMIESA-N -1 0 321.332 -0.388 20 0 DBADRM COC(C)(C)CN(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001593935573 956218820 /nfs/dbraw/zinc/21/88/20/956218820.db2.gz KYYSTFVAIYBDOV-VIFPVBQESA-N -1 0 302.327 -0.818 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1ccn(CC(F)F)n1)C(=O)[O-] ZINC001589137816 956241290 /nfs/dbraw/zinc/24/12/90/956241290.db2.gz CKTMRWCJQCYVFD-LLVKDONJSA-N -1 0 320.252 -0.962 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N(C)CCC(=O)[O-])C(F)(F)F ZINC001593938019 956241233 /nfs/dbraw/zinc/24/12/33/956241233.db2.gz ATQCTGTWPMMREQ-LURJTMIESA-N -1 0 300.233 -0.387 20 0 DBADRM C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NCCC(=O)[O-] ZINC001589138259 956245240 /nfs/dbraw/zinc/24/52/40/956245240.db2.gz LRJZRPSWWHKXBZ-OAHLLOKOSA-N -1 0 306.318 -0.016 20 0 DBADRM C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NCCC(=O)[O-] ZINC001589138258 956245568 /nfs/dbraw/zinc/24/55/68/956245568.db2.gz LRJZRPSWWHKXBZ-HNNXBMFYSA-N -1 0 306.318 -0.016 20 0 DBADRM C[C@](O)(CNC(=O)COCCNC(=O)c1ccccc1)C(=O)[O-] ZINC001589138347 956246541 /nfs/dbraw/zinc/24/65/41/956246541.db2.gz BDUDCGLGJOSPGS-HNNXBMFYSA-N -1 0 324.333 -0.615 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)N1CCc2c1cccc2F)C(=O)[O-] ZINC001589138689 956251780 /nfs/dbraw/zinc/25/17/80/956251780.db2.gz STMRJZRNTGDSPG-AWEZNQCLSA-N -1 0 310.281 -0.333 20 0 DBADRM COC1(C)CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001593941608 956280062 /nfs/dbraw/zinc/28/00/62/956280062.db2.gz FEABAHBOPLOXTF-UHFFFAOYSA-N -1 0 305.352 -0.487 20 0 DBADRM C[C@@](O)(CNC(=O)c1cccn(CC(=O)[O-])c1=O)C(F)(F)F ZINC001589144707 956281763 /nfs/dbraw/zinc/28/17/63/956281763.db2.gz VNMGDSOLLIGILY-LLVKDONJSA-N -1 0 322.239 -0.024 20 0 DBADRM C[C@@](O)(CNC(=O)c1cc(S(C)(=O)=O)cs1)C(=O)[O-] ZINC001589144898 956284222 /nfs/dbraw/zinc/28/42/22/956284222.db2.gz YNASFVLRVSZGGM-SNVBAGLBSA-N -1 0 307.349 -0.283 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001589146415 956291565 /nfs/dbraw/zinc/29/15/65/956291565.db2.gz HUSGTWXDUOIFNF-DLOVCJGASA-N -1 0 312.366 -0.025 20 0 DBADRM COC1(C(=O)Nc2cccnc2C(=O)[O-])CS(=O)(=O)C1 ZINC001593943041 956294140 /nfs/dbraw/zinc/29/41/40/956294140.db2.gz BQWAKZPTCAQSAZ-UHFFFAOYSA-N -1 0 300.292 -0.468 20 0 DBADRM COC1(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)CS(=O)(=O)C1 ZINC001593943080 956294392 /nfs/dbraw/zinc/29/43/92/956294392.db2.gz DHTUWXLXUIWRLE-IUCAKERBSA-N -1 0 305.352 -0.631 20 0 DBADRM COC1([C@H](C)NC(=O)C(=O)NC[C@H](C)C(=O)[O-])CCOCC1 ZINC001593943074 956295092 /nfs/dbraw/zinc/29/50/92/956295092.db2.gz DCHGFGBQMSBSKQ-UWVGGRQHSA-N -1 0 316.354 -0.476 20 0 DBADRM COC1(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CCC1 ZINC001593943248 956296946 /nfs/dbraw/zinc/29/69/46/956296946.db2.gz BYSXBRBAVIMAKP-SECBINFHSA-N -1 0 305.352 -0.344 20 0 DBADRM COc1ncc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)s1 ZINC000388395631 972168958 /nfs/dbraw/zinc/16/89/58/972168958.db2.gz WQQYYTJLLAHDEJ-VIFPVBQESA-N -1 0 308.337 -0.326 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001589146885 956300183 /nfs/dbraw/zinc/30/01/83/956300183.db2.gz OGIMORQWJMELCG-ABAIWWIYSA-N -1 0 310.350 -0.151 20 0 DBADRM CO[C@@]1(C(=O)NCCCCCC(=O)[O-])CCS(=O)(=O)C1 ZINC001593943619 956303527 /nfs/dbraw/zinc/30/35/27/956303527.db2.gz OOZFLVXUSTYWBN-LBPRGKRZSA-N -1 0 307.368 -0.049 20 0 DBADRM CO[C@]1(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001593943762 956304722 /nfs/dbraw/zinc/30/47/22/956304722.db2.gz RIGPICIYIOZONV-GIPNMCIBSA-N -1 0 319.379 -0.241 20 0 DBADRM COC1(CCn2nnnc2N2CCO[C@@H](C(=O)[O-])C2)CCC1 ZINC001593943795 956305113 /nfs/dbraw/zinc/30/51/13/956305113.db2.gz QMBGTBATOROVKW-SNVBAGLBSA-N -1 0 311.342 -0.078 20 0 DBADRM COC(OC)C(=O)N1CCN(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC001593944978 956319652 /nfs/dbraw/zinc/31/96/52/956319652.db2.gz SCXLDHQEAWRRIA-VIFPVBQESA-N -1 0 317.342 -0.820 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-] ZINC001589148294 956320609 /nfs/dbraw/zinc/32/06/09/956320609.db2.gz PPVJQDGXSLGVOJ-SECBINFHSA-N -1 0 313.282 -0.738 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NC[C@](C)(O)CO)n1 ZINC001589148693 956323417 /nfs/dbraw/zinc/32/34/17/956323417.db2.gz XTFUYHWBMMQZAV-LBPRGKRZSA-N -1 0 300.315 -0.432 20 0 DBADRM Cn1cncc1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000388559666 972177812 /nfs/dbraw/zinc/17/78/12/972177812.db2.gz IGLLHKYRBLXAEH-UHFFFAOYSA-N -1 0 302.356 -0.449 20 0 DBADRM C[C@H](O)CN(C)C(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001589152204 956331383 /nfs/dbraw/zinc/33/13/83/956331383.db2.gz KXNKGPJXJGAYPC-WDEREUQCSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001589152441 956337300 /nfs/dbraw/zinc/33/73/00/956337300.db2.gz OPBKNXIOYJRTBI-LLVKDONJSA-N -1 0 300.355 -0.607 20 0 DBADRM C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589153531 956348587 /nfs/dbraw/zinc/34/85/87/956348587.db2.gz VOWNSCAZZBJHRY-UWVGGRQHSA-N -1 0 324.337 -0.332 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N[C@H](C(=O)[O-])c2ccnn2C)nn1 ZINC001589153683 956351727 /nfs/dbraw/zinc/35/17/27/956351727.db2.gz BHNNRPUEHZZPBS-HQJQHLMTSA-N -1 0 308.298 -0.993 20 0 DBADRM COC1(c2cnnn2C)CN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)C1 ZINC001593948446 956351656 /nfs/dbraw/zinc/35/16/56/956351656.db2.gz ZRRIEQSUCZMDKU-CQSZACIVSA-N -1 0 308.338 0.000 20 0 DBADRM C[C@@H](OC(=O)CCC(=O)[O-])C(=O)N1CCC(C(N)=O)CC1 ZINC001589154945 956369487 /nfs/dbraw/zinc/36/94/87/956369487.db2.gz BVTYVVAQNZMKKE-MRVPVSSYSA-N -1 0 300.311 -0.493 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)Nc1ncnc2[nH]cnc21 ZINC001589158645 956385438 /nfs/dbraw/zinc/38/54/38/956385438.db2.gz KDKVRHPNJFQWCJ-RITPCOANSA-N -1 0 307.266 -0.056 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1 ZINC001594637822 956385495 /nfs/dbraw/zinc/38/54/95/956385495.db2.gz BCSHBHPQOIJADZ-DUXPYHPUSA-N -1 0 308.290 -0.170 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC001594637977 956388343 /nfs/dbraw/zinc/38/83/43/956388343.db2.gz HCKRRWAAVSQSOE-DLRBJTRDSA-N -1 0 307.262 -0.263 20 0 DBADRM NC(=O)C1(O)CN(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001594638061 956388817 /nfs/dbraw/zinc/38/88/17/956388817.db2.gz KBTAPOJJCGXFAQ-SNVBAGLBSA-N -1 0 323.349 -0.387 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593951421 956391395 /nfs/dbraw/zinc/39/13/95/956391395.db2.gz ONZPBTSJZXIQRC-UTINFBMNSA-N -1 0 320.367 -0.649 20 0 DBADRM C[C@@H](OC(=O)[C@H](C)C(=O)[O-])C(=O)NCCN1CCOCC1 ZINC001589159382 956394697 /nfs/dbraw/zinc/39/46/97/956394697.db2.gz SOLUWZFCDZOIAD-NXEZZACHSA-N -1 0 302.327 -0.913 20 0 DBADRM NC(=O)CC1(CNC(=O)C(=O)NCCC(=O)[O-])CCCCC1 ZINC001594638849 956398365 /nfs/dbraw/zinc/39/83/65/956398365.db2.gz PGJPJPBFVVCKGP-UHFFFAOYSA-N -1 0 313.354 -0.481 20 0 DBADRM NC(=O)[C@H]1CC(C(=O)OCC(=O)C(=O)[O-])=NN1c1ccccc1 ZINC001594639544 956406022 /nfs/dbraw/zinc/40/60/22/956406022.db2.gz XYTRVHZXRAGEGP-SNVBAGLBSA-N -1 0 319.273 -0.697 20 0 DBADRM NC(=O)[C@@H]1c2ccccc2CCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001594639595 956407075 /nfs/dbraw/zinc/40/70/75/956407075.db2.gz WWSQBSNJXOPJDC-OCCSQVGLSA-N -1 0 317.345 -0.243 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)C2(C(=O)[O-])CCCCC2)C[C@H]1C(N)=O ZINC001594640079 956410353 /nfs/dbraw/zinc/41/03/53/956410353.db2.gz ABOXYVSIUSOBQY-RKDXNWHRSA-N -1 0 311.338 -0.933 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)C2(C(=O)[O-])CCSCC2)CCO1 ZINC001594640153 956412128 /nfs/dbraw/zinc/41/21/28/956412128.db2.gz DVSZFOQZCMOKCV-QMMMGPOBSA-N -1 0 302.352 -0.703 20 0 DBADRM NC(=O)C1CCN(C(=O)COC(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC001594640805 956415852 /nfs/dbraw/zinc/41/58/52/956415852.db2.gz QUNCIIYTPLIFPI-NSHDSACASA-N -1 0 312.322 -0.636 20 0 DBADRM NC(=O)CN1CCC(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001594640914 956418748 /nfs/dbraw/zinc/41/87/48/956418748.db2.gz DKLHNABHXYLXEB-HNNXBMFYSA-N -1 0 309.366 -0.137 20 0 DBADRM COC[C@H](C)n1ccc(NC(=O)C(=O)N(C)CCC(=O)[O-])n1 ZINC001593955985 956424492 /nfs/dbraw/zinc/42/44/92/956424492.db2.gz FNGOAVBNRSSTFP-VIFPVBQESA-N -1 0 312.326 -0.038 20 0 DBADRM NC(=O)CN(Cc1ccccc1)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001594641569 956424585 /nfs/dbraw/zinc/42/45/85/956424585.db2.gz VHZVUQUFGAWLLX-UHFFFAOYSA-N -1 0 317.305 -0.510 20 0 DBADRM NC(=O)COc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC001594641536 956425042 /nfs/dbraw/zinc/42/50/42/956425042.db2.gz RYMMPEUKVHIKQM-AWEZNQCLSA-N -1 0 323.305 -0.084 20 0 DBADRM NC(=O)CN1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1=O ZINC001594641673 956425900 /nfs/dbraw/zinc/42/59/00/956425900.db2.gz XVRYVUQPCPQWTP-DUXPYHPUSA-N -1 0 321.289 -0.853 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)COC(=O)C(C)(C)C(=O)[O-] ZINC001593956400 956430513 /nfs/dbraw/zinc/43/05/13/956430513.db2.gz VQOFJLWFIQCVPS-ZETCQYMHSA-N -1 0 304.299 -0.499 20 0 DBADRM NC(=O)N1CCC[C@@H](CNC(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001594644241 956432417 /nfs/dbraw/zinc/43/24/17/956432417.db2.gz AABJSUDMXBAOCU-JTQLQIEISA-N -1 0 313.354 -0.225 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001594644649 956434872 /nfs/dbraw/zinc/43/48/72/956434872.db2.gz IMXQKSQLDNIQFM-RKDXNWHRSA-N -1 0 313.310 -0.994 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001594645954 956438755 /nfs/dbraw/zinc/43/87/55/956438755.db2.gz YLJSBKMDEBZWQC-BFVZDQMLSA-N -1 0 311.338 -0.663 20 0 DBADRM NC(=O)N1CCCN(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CC1 ZINC001594645946 956438882 /nfs/dbraw/zinc/43/88/82/956438882.db2.gz YJCHQGICRVVWQT-GHMZBOCLSA-N -1 0 313.354 -0.131 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594645978 956439972 /nfs/dbraw/zinc/43/99/72/956439972.db2.gz YQCSVSSFPKYJKH-OUAUKWLOSA-N -1 0 307.306 -0.555 20 0 DBADRM NC(=O)N[C@@H]1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC001594647297 956440241 /nfs/dbraw/zinc/44/02/41/956440241.db2.gz DGFVXIKAJPDHHP-SECBINFHSA-N -1 0 314.342 -0.983 20 0 DBADRM COC[C@H](Cn1nnnc1N1CC[C@H](C)[C@H](C(=O)[O-])C1)OC ZINC001593957006 956440221 /nfs/dbraw/zinc/44/02/21/956440221.db2.gz OCQZCPWMDLDVJQ-GARJFASQSA-N -1 0 313.358 -0.119 20 0 DBADRM NC(=O)NCCCCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC001594647344 956441260 /nfs/dbraw/zinc/44/12/60/956441260.db2.gz GDFPRVOIXNNKIU-UHFFFAOYSA-N -1 0 301.343 -0.083 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC001594647722 956447973 /nfs/dbraw/zinc/44/79/73/956447973.db2.gz CZTAPBBIHVKXMW-DCAQKATOSA-N -1 0 313.354 -0.227 20 0 DBADRM NC(=O)c1cc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)co1 ZINC001594648521 956454665 /nfs/dbraw/zinc/45/46/65/956454665.db2.gz AXMAESAQTZPHAF-SECBINFHSA-N -1 0 323.305 -0.426 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c1 ZINC001594648723 956455444 /nfs/dbraw/zinc/45/54/44/956455444.db2.gz IJHUNYGWKQBHLN-NSHDSACASA-N -1 0 302.290 -0.066 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c1 ZINC001594648722 956456077 /nfs/dbraw/zinc/45/60/77/956456077.db2.gz IJHUNYGWKQBHLN-LLVKDONJSA-N -1 0 302.290 -0.066 20 0 DBADRM COCC(COC)S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001593958292 956460614 /nfs/dbraw/zinc/46/06/14/956460614.db2.gz WSHUHUCEEMLMGX-JTQLQIEISA-N -1 0 321.355 -0.873 20 0 DBADRM NC(=O)c1ccc(/C=C/C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)o1 ZINC001594649467 956460946 /nfs/dbraw/zinc/46/09/46/956460946.db2.gz GTQFUEPCODLQKC-ZMMDYIPLSA-N -1 0 320.301 -0.049 20 0 DBADRM NC(=O)c1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)o1 ZINC001594649603 956461700 /nfs/dbraw/zinc/46/17/00/956461700.db2.gz LRQDPFTZCZQZGM-UHFFFAOYSA-N -1 0 308.250 -0.546 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)nc1Cl ZINC001594649745 956462072 /nfs/dbraw/zinc/46/20/72/956462072.db2.gz NFMRLUYTFPNDPF-QMMMGPOBSA-N -1 0 313.697 -0.241 20 0 DBADRM NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)cn1 ZINC001594649938 956465642 /nfs/dbraw/zinc/46/56/42/956465642.db2.gz GZZZSHJKBJHMHN-VIFPVBQESA-N -1 0 320.305 -0.558 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CC[C@@H](C)O)C1 ZINC001593959394 956471551 /nfs/dbraw/zinc/47/15/51/956471551.db2.gz WLIUHZZRNWMMLY-YGRLFVJLSA-N -1 0 316.354 -0.835 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC001594650668 956472274 /nfs/dbraw/zinc/47/22/74/956472274.db2.gz JGBYSUIIRMBMKL-MLGOLLRUSA-N -1 0 318.329 -0.112 20 0 DBADRM COC[C@H](OC)C(=O)O[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593959466 956472282 /nfs/dbraw/zinc/47/22/82/956472282.db2.gz YZPFQEQTOMTKFN-UWVGGRQHSA-N -1 0 303.311 -0.343 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](O)Cc2cnn(C)c2)C1 ZINC001593960190 956481194 /nfs/dbraw/zinc/48/11/94/956481194.db2.gz PFXXSWPNRRWWHL-SMDDNHRTSA-N -1 0 311.338 -0.727 20 0 DBADRM NC(=O)c1cn(CCOC(=O)[C@@]2(C(=O)[O-])CC=CCC2)nn1 ZINC001594653265 956484886 /nfs/dbraw/zinc/48/48/86/956484886.db2.gz HKTABIHSXNPSAA-ZDUSSCGKSA-N -1 0 308.294 -0.269 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594653542 956487661 /nfs/dbraw/zinc/48/76/61/956487661.db2.gz QWMBFBNYZCLOJG-LJGSYFOKSA-N -1 0 303.278 -0.579 20 0 DBADRM NC(=O)c1cn(C2CCN(C(=O)NCCCC(=O)[O-])CC2)nn1 ZINC001594653620 956488755 /nfs/dbraw/zinc/48/87/55/956488755.db2.gz RHYAVAIAABSABQ-UHFFFAOYSA-N -1 0 324.341 -0.412 20 0 DBADRM NC(=O)c1cnc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)s1 ZINC001594653861 956491459 /nfs/dbraw/zinc/49/14/59/956491459.db2.gz YVZZRUSSGXTPQT-SNVBAGLBSA-N -1 0 300.296 -0.393 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001594653802 956491556 /nfs/dbraw/zinc/49/15/56/956491556.db2.gz FLJVVZBAZXVGNA-SKDRFNHKSA-N -1 0 320.367 -0.853 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@H](F)C(=O)OC)C1 ZINC001593962065 956495804 /nfs/dbraw/zinc/49/58/04/956495804.db2.gz GPZMRHGLDKYEGE-QPUJVOFHSA-N -1 0 306.290 -0.370 20 0 DBADRM NC(=O)c1ncn(CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1 ZINC001594654494 956495807 /nfs/dbraw/zinc/49/58/07/956495807.db2.gz PNUTWVHGLMKWHX-AEJSXWLSSA-N -1 0 321.337 -0.379 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)C1 ZINC001594654767 956498017 /nfs/dbraw/zinc/49/80/17/956498017.db2.gz WVHJVFUXPMQNBR-MRVPVSSYSA-N -1 0 314.323 -0.326 20 0 DBADRM C[C@@H](c1ccncc1)N(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001589175780 956499416 /nfs/dbraw/zinc/49/94/16/956499416.db2.gz LBYCLQNRNIYAEU-JQWIXIFHSA-N -1 0 321.333 -0.087 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])CC2CC2)cn1 ZINC001594654910 956500650 /nfs/dbraw/zinc/50/06/50/956500650.db2.gz DYAHOVSTUXYZJC-UHFFFAOYSA-N -1 0 313.335 -0.334 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC(C(=O)[O-])C2)cc2c1CCC2 ZINC001594655086 956502466 /nfs/dbraw/zinc/50/24/66/956502466.db2.gz KCLPFMOXTWJIBI-UHFFFAOYSA-N -1 0 324.358 -0.021 20 0 DBADRM NS(=O)(=O)N1CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001594657544 956508563 /nfs/dbraw/zinc/50/85/63/956508563.db2.gz IHEGPCXYHLXFSQ-LBPRGKRZSA-N -1 0 317.367 -0.855 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001594658133 956510991 /nfs/dbraw/zinc/51/09/91/956510991.db2.gz VULVPVBFZMYPHI-LLVKDONJSA-N -1 0 308.356 -0.805 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001594658050 956511322 /nfs/dbraw/zinc/51/13/22/956511322.db2.gz SPJGYZIRMROSIL-ZETCQYMHSA-N -1 0 314.323 -0.932 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@@H](C)S(C)(=O)=O)C1 ZINC001593963112 956511456 /nfs/dbraw/zinc/51/14/56/956511456.db2.gz GWUNGEVQZXNIDU-BXKDBHETSA-N -1 0 322.383 -0.448 20 0 DBADRM C[C@@]1(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCCS1(=O)=O ZINC001589182293 956535814 /nfs/dbraw/zinc/53/58/14/956535814.db2.gz YOTIXXRLVGJFKM-XDTLVQLUSA-N -1 0 317.363 -0.487 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001593966101 956540014 /nfs/dbraw/zinc/54/00/14/956540014.db2.gz YBUDYIHZPVLDGC-AWEZNQCLSA-N -1 0 320.305 -0.002 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001589183453 956546804 /nfs/dbraw/zinc/54/68/04/956546804.db2.gz CFVXAISXTDMFPM-LBPRGKRZSA-N -1 0 304.368 -0.818 20 0 DBADRM Nc1c(F)cc(F)cc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001594663803 956557320 /nfs/dbraw/zinc/55/73/20/956557320.db2.gz YPOMOAHQZFCDJF-UHFFFAOYSA-N -1 0 313.260 -0.084 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@](O)(C(F)F)C2)C1 ZINC001589186701 956559315 /nfs/dbraw/zinc/55/93/15/956559315.db2.gz AKHIIAPUYCKBIY-STQMWFEESA-N -1 0 320.292 -0.462 20 0 DBADRM Nc1ncc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cn1 ZINC001594664896 956562441 /nfs/dbraw/zinc/56/24/41/956562441.db2.gz FOXZUJAQKDEHNH-VHSXEESVSA-N -1 0 312.351 -0.210 20 0 DBADRM Nc1ccc(CCC(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001594665451 956569506 /nfs/dbraw/zinc/56/95/06/956569506.db2.gz DCGBBWOUPQRCDL-JTQLQIEISA-N -1 0 307.306 -0.175 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2CCO)C1 ZINC001589188112 956575557 /nfs/dbraw/zinc/57/55/57/956575557.db2.gz RSSPKBDSJGBHGC-ZETOZRRWSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1cn(C(F)(F)CO)nn1 ZINC001589189142 956588769 /nfs/dbraw/zinc/58/87/69/956588769.db2.gz VNDGHWBPSMVOCO-SNVBAGLBSA-N -1 0 304.253 -0.101 20 0 DBADRM Nc1nnn(CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)n1 ZINC001594667492 956590918 /nfs/dbraw/zinc/59/09/18/956590918.db2.gz JKQYLCCURUMCCX-WDEREUQCSA-N -1 0 316.321 -0.418 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001589191525 956596290 /nfs/dbraw/zinc/59/62/90/956596290.db2.gz GKNHLMQXECKTAZ-UHFFFAOYSA-N -1 0 319.321 -0.396 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2nnnn2[C@@H]2COC[C@H]2C)C1 ZINC001593969923 956598004 /nfs/dbraw/zinc/59/80/04/956598004.db2.gz IEKITEWVZDPQPM-BREBYQMCSA-N -1 0 311.342 -0.192 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)Cn2cc(C3CC3)nn2)CCO1 ZINC001593973767 956645735 /nfs/dbraw/zinc/64/57/35/956645735.db2.gz LJXHEKMJIQNVLI-CQSZACIVSA-N -1 0 324.337 -0.516 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CCO1 ZINC001593973978 956648135 /nfs/dbraw/zinc/64/81/35/956648135.db2.gz ONRPBMORLQYTMC-MEBBXXQBSA-N -1 0 323.349 -0.157 20 0 DBADRM C[C@]1(C(N)=O)CCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC001589203584 956648809 /nfs/dbraw/zinc/64/88/09/956648809.db2.gz QGKNWUCABVNZKY-AWEZNQCLSA-N -1 0 313.354 -0.529 20 0 DBADRM C[C@]1(C(F)(F)F)CN(C(=O)C(=O)NCCC(=O)[O-])CCO1 ZINC001589203765 956650515 /nfs/dbraw/zinc/65/05/15/956650515.db2.gz VCJJTSFZOLGIHF-SNVBAGLBSA-N -1 0 312.244 -0.243 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@]2(OC)CCSC2)CCO1 ZINC001593974424 956651734 /nfs/dbraw/zinc/65/17/34/956651734.db2.gz QFBCNQUSTRNZMT-STQMWFEESA-N -1 0 319.379 -0.163 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCc3nncn3C2)CCO1 ZINC001593974639 956653625 /nfs/dbraw/zinc/65/36/25/956653625.db2.gz RJLCMGDJBUZAHP-YGRLFVJLSA-N -1 0 324.337 -0.831 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCCN1CCNC(=O)C1 ZINC001589204704 956655874 /nfs/dbraw/zinc/65/58/74/956655874.db2.gz MRMZOTBSHIYARS-UHFFFAOYSA-N -1 0 311.382 -0.329 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H](O)CCSC)CCO1 ZINC001593975506 956660385 /nfs/dbraw/zinc/66/03/85/956660385.db2.gz QMRPVOAIYYJXLP-JOYOIKCWSA-N -1 0 307.368 -0.571 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NN1CCS(=O)(=O)CC1 ZINC001589205828 956664384 /nfs/dbraw/zinc/66/43/84/956664384.db2.gz NEVFXEMRWQNYBX-UHFFFAOYSA-N -1 0 318.395 -0.115 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)Cc2c(C)n[nH]c2C)CCO1 ZINC001593976381 956667547 /nfs/dbraw/zinc/66/75/47/956667547.db2.gz WWECIISNBCPOEU-CQSZACIVSA-N -1 0 311.338 -0.102 20 0 DBADRM O=C(C[C@@H]1CCCS(=O)(=O)C1)N[C@@]1(C(=O)[O-])CCOC1 ZINC001594677160 956669257 /nfs/dbraw/zinc/66/92/57/956669257.db2.gz HVPNCTBQIPROPR-CABZTGNLSA-N -1 0 305.352 -0.439 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCO1 ZINC001593977568 956678570 /nfs/dbraw/zinc/67/85/70/956678570.db2.gz LLMNFWIPSRFHRF-GPCCPHFNSA-N -1 0 309.322 -0.158 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCO1 ZINC001593977572 956679595 /nfs/dbraw/zinc/67/95/95/956679595.db2.gz LLMNFWIPSRFHRF-RULNRJAQSA-N -1 0 309.322 -0.158 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCc2cc(C)n[nH]2)CCO1 ZINC001593978194 956684105 /nfs/dbraw/zinc/68/41/05/956684105.db2.gz FCWQAUKUPBWHGB-CYBMUJFWSA-N -1 0 312.326 -0.270 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCc2cc(C)n[nH]2)CCO1 ZINC001593978198 956684259 /nfs/dbraw/zinc/68/42/59/956684259.db2.gz FCWQAUKUPBWHGB-ZDUSSCGKSA-N -1 0 312.326 -0.270 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCc2cncn2C)CCO1 ZINC001593978708 956690277 /nfs/dbraw/zinc/69/02/77/956690277.db2.gz LLAVMCODJCZEMP-CYBMUJFWSA-N -1 0 312.326 -0.568 20 0 DBADRM CC1(C)C[C@H](NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001589211511 956692997 /nfs/dbraw/zinc/69/29/97/956692997.db2.gz LCCXKZSONHLTBF-SECBINFHSA-N -1 0 324.337 -0.020 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN(CCn2cncn2)CC1 ZINC001589211840 956695891 /nfs/dbraw/zinc/69/58/91/956695891.db2.gz FEWBLDPDKOKAJP-HNNXBMFYSA-N -1 0 321.381 -0.077 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NOCCSC)CCO1 ZINC001593979334 956698352 /nfs/dbraw/zinc/69/83/52/956698352.db2.gz WGYWTJAFSJXOSP-LLVKDONJSA-N -1 0 308.356 -0.207 20 0 DBADRM O=C([O-])C(=O)COC(=O)CCCS(=O)(=O)N1CCCC1 ZINC001594685833 956712691 /nfs/dbraw/zinc/71/26/91/956712691.db2.gz XTMADIBUGXZWES-UHFFFAOYSA-N -1 0 307.324 -0.611 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cc3ncccn3n2)CCO1 ZINC001593981029 956713719 /nfs/dbraw/zinc/71/37/19/956713719.db2.gz VTNBWMLTFMYASA-CQSZACIVSA-N -1 0 320.305 -0.329 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN([C@H](C)C(=O)NCC(C)C)CCO1 ZINC001593982814 956724242 /nfs/dbraw/zinc/72/42/42/956724242.db2.gz JHQMPRXVCHPMON-BXUZGUMPSA-N -1 0 302.371 -0.051 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2nnnn2CC=C(C)C)CCO1 ZINC001593984016 956740773 /nfs/dbraw/zinc/74/07/73/956740773.db2.gz DTNLXDWLNKBMKJ-CYBMUJFWSA-N -1 0 311.342 -0.054 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2nc(C)nc3c2cnn3C)CCO1 ZINC001593983966 956741344 /nfs/dbraw/zinc/74/13/44/956741344.db2.gz DLTKVSXSDDJPDS-CQSZACIVSA-N -1 0 321.337 -0.022 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)N(C)CC2CC2)CCO1 ZINC001593984015 956741437 /nfs/dbraw/zinc/74/14/37/956741437.db2.gz NADAIWCVBFLNEH-GFCCVEGCSA-N -1 0 322.383 -0.625 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2ncnc3c2ncn3C)CCO1 ZINC001593984681 956753841 /nfs/dbraw/zinc/75/38/41/956753841.db2.gz KDHIALHWZDJYDI-CYBMUJFWSA-N -1 0 307.310 -0.330 20 0 DBADRM O=C(CN1CCCCC(=O)C1=O)NC1(C(=O)[O-])CCOCC1 ZINC001594692342 956756589 /nfs/dbraw/zinc/75/65/89/956756589.db2.gz LDTKTWXAZOSZRH-UHFFFAOYSA-N -1 0 312.322 -0.682 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2nnnn2C[C@@H]2C=CCC2)CCO1 ZINC001593984894 956756755 /nfs/dbraw/zinc/75/67/55/956756755.db2.gz LREWHCOQLOOSFL-BXUZGUMPSA-N -1 0 323.353 -0.054 20 0 DBADRM COCC1(C)CCN(C(=O)C(=O)NCCOCC(=O)[O-])CC1 ZINC001593985218 956763722 /nfs/dbraw/zinc/76/37/22/956763722.db2.gz PENLVRISQSUSOU-UHFFFAOYSA-N -1 0 316.354 -0.521 20 0 DBADRM O=C(CN1CCOCC1=O)OCC1(C(=O)[O-])CCOCC1 ZINC001594696548 956774980 /nfs/dbraw/zinc/77/49/80/956774980.db2.gz XLSALSDMPFNKFV-UHFFFAOYSA-N -1 0 301.295 -0.730 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)[nH]n1 ZINC001594696486 956775147 /nfs/dbraw/zinc/77/51/47/956775147.db2.gz VRHJPNDKJYHQDR-UHFFFAOYSA-N -1 0 321.337 -0.856 20 0 DBADRM O=C([O-])[C@]1(NCC(=O)NC(=O)NCc2ccco2)CCOC1 ZINC001594697166 956780907 /nfs/dbraw/zinc/78/09/07/956780907.db2.gz XHCZOLNPKRIJBT-ZDUSSCGKSA-N -1 0 311.294 -0.561 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CC(=O)NC[C@H]2CCCO2)CCO1 ZINC001593986059 956781809 /nfs/dbraw/zinc/78/18/09/956781809.db2.gz MXNAUUSTUDYJON-BXUZGUMPSA-N -1 0 316.354 -0.916 20 0 DBADRM CN1CC(=O)N(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1=O ZINC000389241971 972214137 /nfs/dbraw/zinc/21/41/37/972214137.db2.gz DLCMCSUDRQHLRX-HOTUBEGUSA-N -1 0 309.322 -0.408 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CCCN2CCOC2=O)CCO1 ZINC001593986385 956789705 /nfs/dbraw/zinc/78/97/05/956789705.db2.gz VEBRLMNMIZMGMG-CYBMUJFWSA-N -1 0 302.327 -0.369 20 0 DBADRM O=C([O-])C(=O)COC(=O)CNS(=O)(=O)c1ccccc1 ZINC001594698020 956793682 /nfs/dbraw/zinc/79/36/82/956793682.db2.gz WHRRAAHGXYAOCA-UHFFFAOYSA-N -1 0 301.276 -0.838 20 0 DBADRM COC[C@H]1CCN1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593989557 956820256 /nfs/dbraw/zinc/82/02/56/956820256.db2.gz TTYKWMFXEWPZBK-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CS(=O)(=O)C1CC1)C2 ZINC001594703485 956827002 /nfs/dbraw/zinc/82/70/02/956827002.db2.gz GBQVRWACJFPZNJ-UFBFGSQYSA-N -1 0 303.336 -0.877 20 0 DBADRM COCC[C@](C)(O)CNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593990195 956831605 /nfs/dbraw/zinc/83/16/05/956831605.db2.gz XMYMKNIPOPYIGW-AWEZNQCLSA-N -1 0 312.322 -0.550 20 0 DBADRM COCCC[C@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001593992862 956854819 /nfs/dbraw/zinc/85/48/19/956854819.db2.gz JIOKWIIXHOOWCE-UWVGGRQHSA-N -1 0 307.368 -0.241 20 0 DBADRM COCCC1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC001593992887 956854968 /nfs/dbraw/zinc/85/49/68/956854968.db2.gz JNOWLBGXZBORKQ-LLVKDONJSA-N -1 0 300.355 -0.046 20 0 DBADRM COCCCN(C(=O)[C@H](OC)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001593993984 956864989 /nfs/dbraw/zinc/86/49/89/956864989.db2.gz ZXAKOMJBCHTHFF-UWVGGRQHSA-N -1 0 323.367 -0.862 20 0 DBADRM COCCCNC(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001593994456 956866877 /nfs/dbraw/zinc/86/68/77/956866877.db2.gz GDQVOAMESQMJFK-ZDUSSCGKSA-N -1 0 302.327 -0.911 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2c[nH]nc2C(=O)[O-])C1=O ZINC001589239927 956870407 /nfs/dbraw/zinc/87/04/07/956870407.db2.gz MOINGVKPOSMWLT-CYBMUJFWSA-N -1 0 321.293 -0.233 20 0 DBADRM CC1(C)OCC(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CO1 ZINC001589240835 956884363 /nfs/dbraw/zinc/88/43/63/956884363.db2.gz ZFGPMDWMNHAUFU-JTQLQIEISA-N -1 0 314.338 -0.423 20 0 DBADRM C[C@]1(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCCO1 ZINC001589241069 956887890 /nfs/dbraw/zinc/88/78/90/956887890.db2.gz GHYVKKYTTDRFFK-CYBMUJFWSA-N -1 0 310.310 -0.409 20 0 DBADRM CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC000011569164 956891663 /nfs/dbraw/zinc/89/16/63/956891663.db2.gz JXKQDAWURLHNIU-MRVPVSSYSA-N -1 0 313.397 -0.454 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001593996662 956899086 /nfs/dbraw/zinc/89/90/86/956899086.db2.gz DWVZNBBSSZWAFO-UHFFFAOYSA-N -1 0 305.352 -0.629 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CN(C)CC(=O)NC(C)C ZINC001593996922 956903296 /nfs/dbraw/zinc/90/32/96/956903296.db2.gz LWFPOAPBGYTGPK-UHFFFAOYSA-N -1 0 303.359 -0.998 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)Cn2ncc3ccccc3c2=O)CCOC1 ZINC001594714719 956912222 /nfs/dbraw/zinc/91/22/22/956912222.db2.gz MHNJZDJQEDUMFD-OAHLLOKOSA-N -1 0 317.301 -0.244 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@](C)(CO)C2)C1 ZINC001589245620 956912567 /nfs/dbraw/zinc/91/25/67/956912567.db2.gz LSDDBQYXHMSEGL-LSDHHAIUSA-N -1 0 312.366 -0.069 20 0 DBADRM COCCN(CC(=O)[O-])[C@H]1CCN(C2CCOCC2)C1=O ZINC001593999881 956919436 /nfs/dbraw/zinc/91/94/36/956919436.db2.gz WMJXQECXNXYZQC-LBPRGKRZSA-N -1 0 300.355 -0.201 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCC(CO)CC1 ZINC001594000957 956929325 /nfs/dbraw/zinc/92/93/25/956929325.db2.gz IEOYFPWVAPQLIL-UHFFFAOYSA-N -1 0 316.354 -0.833 20 0 DBADRM C[C@@]1(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCC(=O)N1 ZINC001589246863 956936015 /nfs/dbraw/zinc/93/60/15/956936015.db2.gz LYHVZUSPDBXXBQ-KWQFWETISA-N -1 0 305.356 -0.962 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O ZINC001594002059 956937416 /nfs/dbraw/zinc/93/74/16/956937416.db2.gz ZRVMMYUMUUDEDQ-SKDRFNHKSA-N -1 0 316.354 -0.788 20 0 DBADRM COCCN(CC(=O)[O-])Cc1nnc(S(C)(=O)=O)s1 ZINC001594002115 956937796 /nfs/dbraw/zinc/93/77/96/956937796.db2.gz ZCVGVLLRETYWQJ-UHFFFAOYSA-N -1 0 309.369 -0.525 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC001594002147 956938189 /nfs/dbraw/zinc/93/81/89/956938189.db2.gz BCFSCONAYRMIJJ-JTQLQIEISA-N -1 0 322.383 -0.640 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C[C@@H]1CCCS1(=O)=O ZINC001594002857 956942292 /nfs/dbraw/zinc/94/22/92/956942292.db2.gz UEJSWYYGTLJSCV-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@H](C)C1N=NC(=O)N1C ZINC001594004308 956944413 /nfs/dbraw/zinc/94/44/13/956944413.db2.gz BYDVVBNVSBCLSN-MRVPVSSYSA-N -1 0 315.330 -0.286 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC001594004336 956946057 /nfs/dbraw/zinc/94/60/57/956946057.db2.gz CWZJQENXFMFNGB-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCC(=O)N=S(C)(C)=O ZINC001594004645 956951878 /nfs/dbraw/zinc/95/18/78/956951878.db2.gz BXQCHGUYNBDONB-UHFFFAOYSA-N -1 0 323.371 -0.627 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCC(C)(C)S(C)(=O)=O ZINC001594004993 956957421 /nfs/dbraw/zinc/95/74/21/956957421.db2.gz KDEYIFPRNHEGKI-UHFFFAOYSA-N -1 0 324.399 -0.058 20 0 DBADRM C[C@]12COC[C@@H]1CN(C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C2 ZINC001589254389 956980490 /nfs/dbraw/zinc/98/04/90/956980490.db2.gz HSCCDBAQIIMMRF-XPTSAGLGSA-N -1 0 322.321 -0.599 20 0 DBADRM CC1=C(C(=O)N(CC(=O)[O-])CC2CC2)Cn2nnnc2N1C ZINC001589255535 956986412 /nfs/dbraw/zinc/98/64/12/956986412.db2.gz YJWQNFDXGKIIMT-UHFFFAOYSA-N -1 0 306.326 -0.280 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2cc(N3CCOCC3)ncn2)CCOC1 ZINC001594724385 956987428 /nfs/dbraw/zinc/98/74/28/956987428.db2.gz RGWBDTZFLBWYOK-AWEZNQCLSA-N -1 0 322.321 -0.713 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@@H]2C[C@H]3CC[C@@H](C2)S3(=O)=O)CCOC1 ZINC001594724393 956987847 /nfs/dbraw/zinc/98/78/47/956987847.db2.gz RWFGPXDWZZEWRQ-XHSYRHOGSA-N -1 0 317.363 -0.298 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1cn(CCOC)nn1 ZINC001594010717 956990889 /nfs/dbraw/zinc/99/08/89/956990889.db2.gz YMCXJROSYPCSNW-UHFFFAOYSA-N -1 0 300.315 -0.512 20 0 DBADRM Cn1nc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1OC(F)F ZINC000909217644 957007265 /nfs/dbraw/zinc/00/72/65/957007265.db2.gz PJLBLFZLQZWRMX-SSDOTTSWSA-N -1 0 305.237 -0.053 20 0 DBADRM Cn1nc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1OC(F)F ZINC000909217645 957007494 /nfs/dbraw/zinc/00/74/94/957007494.db2.gz PJLBLFZLQZWRMX-ZETCQYMHSA-N -1 0 305.237 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)C1 ZINC001594726316 957008296 /nfs/dbraw/zinc/00/82/96/957008296.db2.gz LMMGMQMXQDTDAA-GHMZBOCLSA-N -1 0 323.349 -0.953 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001589257124 957010060 /nfs/dbraw/zinc/01/00/60/957010060.db2.gz XFPMKOBCOINBII-GMSGAONNSA-N -1 0 315.351 -0.015 20 0 DBADRM COCCCNC(=O)Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O ZINC000013316723 957020974 /nfs/dbraw/zinc/02/09/74/957020974.db2.gz LZZRAUHBAHNMQP-UHFFFAOYSA-N -1 0 313.266 -0.393 20 0 DBADRM COCCN1[C@H](C)CN(C(=O)C(=O)NCCC(=O)[O-])C[C@@H]1C ZINC001594015157 957027688 /nfs/dbraw/zinc/02/76/88/957027688.db2.gz QCLIXSNXUIGJIP-PHIMTYICSA-N -1 0 315.370 -0.855 20 0 DBADRM COCCN1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC1=O ZINC001594015166 957027771 /nfs/dbraw/zinc/02/77/71/957027771.db2.gz QSZHOHBXSPPYJG-UHFFFAOYSA-N -1 0 301.343 -0.055 20 0 DBADRM COCCNC(=S)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594016222 957038726 /nfs/dbraw/zinc/03/87/26/957038726.db2.gz UEZAVWVVENPQIJ-SECBINFHSA-N -1 0 303.384 -0.437 20 0 DBADRM COCCNC(=O)C1CCN(C(=O)[C@@H](OC)C(=O)[O-])CC1 ZINC001594016307 957041119 /nfs/dbraw/zinc/04/11/19/957041119.db2.gz YUVVCBAKHVNCFC-SNVBAGLBSA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC001589262617 957048604 /nfs/dbraw/zinc/04/86/04/957048604.db2.gz QAKKVONJVUKVPZ-ZUNJMDCASA-N -1 0 304.368 -0.713 20 0 DBADRM COCCONC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594018540 957056421 /nfs/dbraw/zinc/05/64/21/957056421.db2.gz GILZVCPDEXKRIA-SECBINFHSA-N -1 0 303.315 -0.671 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001594018604 957058412 /nfs/dbraw/zinc/05/84/12/957058412.db2.gz USWKTOKEEWJKAK-VHSXEESVSA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCN1C ZINC001589263158 957061066 /nfs/dbraw/zinc/06/10/66/957061066.db2.gz YAFTZFZUNPRVFH-NXEZZACHSA-N -1 0 323.353 -0.543 20 0 DBADRM C[C@@H]1[C@H](C)N(C)CCN1C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589263160 957061590 /nfs/dbraw/zinc/06/15/90/957061590.db2.gz YAFTZFZUNPRVFH-VHSXEESVSA-N -1 0 323.353 -0.543 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCC(=O)N2CCCCC2)C1 ZINC001594736954 957079022 /nfs/dbraw/zinc/07/90/22/957079022.db2.gz HPIVTTZXLQWHOE-SNVBAGLBSA-N -1 0 311.338 -0.952 20 0 DBADRM C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)[O-] ZINC000028631697 957165934 /nfs/dbraw/zinc/16/59/34/957165934.db2.gz RIBHQSRGHUDSSF-SSDOTTSWSA-N -1 0 303.315 -0.783 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC000035680414 957218118 /nfs/dbraw/zinc/21/81/18/957218118.db2.gz KMOXYIAXHJSBCM-UHFFFAOYSA-N -1 0 316.383 -0.572 20 0 DBADRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)C(N)=O ZINC000035794361 957224279 /nfs/dbraw/zinc/22/42/79/957224279.db2.gz DUEQZMNDAWAPFE-ZCFIWIBFSA-N -1 0 304.299 -0.016 20 0 DBADRM CN(C)C(=O)CN1C(=O)c2ccc(C(=O)[O-])cc2S1(=O)=O ZINC000037208117 957265575 /nfs/dbraw/zinc/26/55/75/957265575.db2.gz PGSINCMAVUGBDV-UHFFFAOYSA-N -1 0 312.303 -0.383 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)[O-] ZINC000037431737 957286210 /nfs/dbraw/zinc/28/62/10/957286210.db2.gz INIAJRWXVIVLHJ-XCBNKYQSSA-N -1 0 316.335 -0.378 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cnc2sccn2c1=O ZINC000037449279 957291017 /nfs/dbraw/zinc/29/10/17/957291017.db2.gz VYDLINIRWDZMDE-SVRRBLITSA-N -1 0 309.303 -0.584 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1cnc2n(c1=O)CCS2 ZINC000037449539 957292308 /nfs/dbraw/zinc/29/23/08/957292308.db2.gz DIOPFSPRACEUSJ-HTRCEHHLSA-N -1 0 311.319 -0.991 20 0 DBADRM C[C@@H](NC(=O)c1cccs1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000037449408 957292512 /nfs/dbraw/zinc/29/25/12/957292512.db2.gz PVBZQTBTGNFSBL-IWSPIJDZSA-N -1 0 312.347 -0.087 20 0 DBADRM C[C@H](CN1CCOCC1)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037732158 957323218 /nfs/dbraw/zinc/32/32/18/957323218.db2.gz HSZGFVREJUZJOB-MRVPVSSYSA-N -1 0 318.355 -0.893 20 0 DBADRM COC(=O)[C@H]1CCCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037836312 957332212 /nfs/dbraw/zinc/33/22/12/957332212.db2.gz SSSQIMQBTAJNGO-MRVPVSSYSA-N -1 0 317.323 -0.176 20 0 DBADRM CCCCN(CCO)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000037836815 957333418 /nfs/dbraw/zinc/33/34/18/957333418.db2.gz MWYJKXQPKYUPDF-UHFFFAOYSA-N -1 0 305.356 -0.249 20 0 DBADRM COC(=O)CCCN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037837309 957333534 /nfs/dbraw/zinc/33/35/34/957333534.db2.gz ZVJXAZZKQYWQAT-UHFFFAOYSA-N -1 0 322.383 -0.087 20 0 DBADRM CC[C@@H](C)NC(=O)CCNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000038014013 957342109 /nfs/dbraw/zinc/34/21/09/957342109.db2.gz ZVAUIXBKEMWKSE-SSDOTTSWSA-N -1 0 318.355 -0.309 20 0 DBADRM C[C@@H](NC(=O)c1cccs1)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000040394029 957361998 /nfs/dbraw/zinc/36/19/98/957361998.db2.gz PVBZQTBTGNFSBL-HLTSFMKQSA-N -1 0 312.347 -0.087 20 0 DBADRM C[C@H](NC(=O)c1cccs1)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000040394027 957362029 /nfs/dbraw/zinc/36/20/29/957362029.db2.gz PVBZQTBTGNFSBL-YIZRAAEISA-N -1 0 312.347 -0.087 20 0 DBADRM O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@]1(C(=O)[O-])CCSC1 ZINC000043511077 957434295 /nfs/dbraw/zinc/43/42/95/957434295.db2.gz XCIPOHJSPNGTQL-GZMMTYOYSA-N -1 0 307.393 -0.112 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000050351042 957490465 /nfs/dbraw/zinc/49/04/65/957490465.db2.gz LDPIIALDRYNVGR-VIFPVBQESA-N -1 0 313.397 -0.408 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000390222850 972270888 /nfs/dbraw/zinc/27/08/88/972270888.db2.gz FANMSWXWRPNXAT-LBPRGKRZSA-N -1 0 321.399 -0.178 20 0 DBADRM COCC[C@@H](NC(=O)c1cnc2sccn2c1=O)C(=O)[O-] ZINC000052784225 957512078 /nfs/dbraw/zinc/51/20/78/957512078.db2.gz NUGBKOJGNLUWLJ-MRVPVSSYSA-N -1 0 311.319 -0.025 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)NCCOCCO)cc1 ZINC000052925586 957515337 /nfs/dbraw/zinc/51/53/37/957515337.db2.gz YBNPQBGAZDDOBP-UHFFFAOYSA-N -1 0 319.335 -0.563 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(CCO)CC1 ZINC000055311525 957542715 /nfs/dbraw/zinc/54/27/15/957542715.db2.gz IXFFLKYNIROWHC-UHFFFAOYSA-N -1 0 318.351 -0.415 20 0 DBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)(C)C(=O)[O-] ZINC000061177649 957578509 /nfs/dbraw/zinc/57/85/09/957578509.db2.gz WLQDVDYHJASIPQ-VIFPVBQESA-N -1 0 306.384 -0.525 20 0 DBADRM CNS(=O)(=O)CCNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000062511078 957604301 /nfs/dbraw/zinc/60/43/01/957604301.db2.gz YQWPVAJRNYRXOJ-UHFFFAOYSA-N -1 0 322.364 -0.788 20 0 DBADRM CC(C)CN(CC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000062742154 957605620 /nfs/dbraw/zinc/60/56/20/957605620.db2.gz HREBTUYHKWWNCQ-UHFFFAOYSA-N -1 0 317.367 -0.145 20 0 DBADRM CC(C)CN(CC(=O)[O-])CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000062743441 957606888 /nfs/dbraw/zinc/60/68/88/957606888.db2.gz CTNJWZGBMZEWCR-SNVBAGLBSA-N -1 0 306.384 -0.668 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)NCCCS(N)(=O)=O)C1 ZINC000062876170 957622430 /nfs/dbraw/zinc/62/24/30/957622430.db2.gz BYJQEOXDNQDWFE-NSHDSACASA-N -1 0 307.372 -0.439 20 0 DBADRM Cc1cc(NC(=O)CCN2CC(n3cc(C(=O)[O-])nn3)C2)no1 ZINC000390381534 972279755 /nfs/dbraw/zinc/27/97/55/972279755.db2.gz XTURKMINEJIIGK-UHFFFAOYSA-N -1 0 320.309 -0.420 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000390386645 972280207 /nfs/dbraw/zinc/28/02/07/972280207.db2.gz ZSGDTQXHRXVUKT-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM CC(=O)N[C@@H](CSCC(=O)NC[C@@H]1CCCO1)C(=O)[O-] ZINC000069555937 957654344 /nfs/dbraw/zinc/65/43/44/957654344.db2.gz YEXHYIZQABPFQZ-UWVGGRQHSA-N -1 0 304.368 -0.396 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCCN(C)CC2)c1C(=O)[O-] ZINC000070446457 957672469 /nfs/dbraw/zinc/67/24/69/957672469.db2.gz RQZKGOXOLVKGPK-UHFFFAOYSA-N -1 0 302.356 -0.257 20 0 DBADRM COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001594024076 957690584 /nfs/dbraw/zinc/69/05/84/957690584.db2.gz KSLQFPDNLFHHFZ-UWVGGRQHSA-N -1 0 323.353 -0.214 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCCCN2CCCCCC2=O)nn1 ZINC001574742943 957691157 /nfs/dbraw/zinc/69/11/57/957691157.db2.gz IEOFVPGSLFXPGS-UHFFFAOYSA-N -1 0 323.353 -0.115 20 0 DBADRM COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001594024079 957691893 /nfs/dbraw/zinc/69/18/93/957691893.db2.gz KSLQFPDNLFHHFZ-ZJUUUORDSA-N -1 0 323.353 -0.214 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@H](O)c2ccc(F)cc2)nn1 ZINC001574743064 957693010 /nfs/dbraw/zinc/69/30/10/957693010.db2.gz MFORSEGDOSOFKF-NSHDSACASA-N -1 0 308.269 -0.035 20 0 DBADRM COCCn1cc(C(=O)NC2(CC(=O)[O-])CCOCC2)nn1 ZINC001594024770 957699189 /nfs/dbraw/zinc/69/91/89/957699189.db2.gz VCHIXMXUISQPAR-UHFFFAOYSA-N -1 0 312.326 -0.322 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CSc1ccncc1 ZINC000071239074 957709723 /nfs/dbraw/zinc/70/97/23/957709723.db2.gz QJBHFWVRSXFYTK-JTQLQIEISA-N -1 0 309.347 -0.025 20 0 DBADRM COCCn1cc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)ccc1=O ZINC001594025575 957715576 /nfs/dbraw/zinc/71/55/76/957715576.db2.gz XCJBSFBSMJATRF-SNVBAGLBSA-N -1 0 309.278 -0.337 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCc2ccc[nH]c2=O)c1=O ZINC001574748486 957717384 /nfs/dbraw/zinc/71/73/84/957717384.db2.gz RKWRTPJDGLLJSI-UHFFFAOYSA-N -1 0 303.274 -0.037 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)C(=O)[O-] ZINC000071337328 957720111 /nfs/dbraw/zinc/72/01/11/957720111.db2.gz CRYZMGVEKOARHW-ZJUUUORDSA-N -1 0 300.311 -0.623 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001594026092 957722614 /nfs/dbraw/zinc/72/26/14/957722614.db2.gz UHFLHYRFKCYSOG-RKDXNWHRSA-N -1 0 323.305 -0.674 20 0 DBADRM C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000075241340 957741637 /nfs/dbraw/zinc/74/16/37/957741637.db2.gz WYJPJCXJLNCEFO-XCBNKYQSSA-N -1 0 306.274 -0.767 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000075241444 957742447 /nfs/dbraw/zinc/74/24/47/957742447.db2.gz RFNCPLGKCHBHIG-LLVKDONJSA-N -1 0 320.301 -0.376 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC001574764566 957746184 /nfs/dbraw/zinc/74/61/84/957746184.db2.gz VHZMZLXSUKXSLZ-ZNSHCXBVSA-N -1 0 317.363 -0.488 20 0 DBADRM COCc1ccnc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001594029863 957754124 /nfs/dbraw/zinc/75/41/24/957754124.db2.gz UPWQCNDMXKWTOA-SNVBAGLBSA-N -1 0 322.321 -0.115 20 0 DBADRM COCn1ncc(C)c1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594031252 957760545 /nfs/dbraw/zinc/76/05/45/957760545.db2.gz LLOMKVROARSMOV-NSHDSACASA-N -1 0 317.367 -0.521 20 0 DBADRM COCc1nn(C)cc1C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001594032423 957771383 /nfs/dbraw/zinc/77/13/83/957771383.db2.gz CQDZDNNYFXQHDA-NSHDSACASA-N -1 0 307.310 -0.144 20 0 DBADRM COCc1ncc2c(n1)CCN(C(=O)[C@H]1CC(C(=O)[O-])=NO1)C2 ZINC001594032406 957771601 /nfs/dbraw/zinc/77/16/01/957771601.db2.gz BPVBBXMURWAYAI-LLVKDONJSA-N -1 0 320.305 -0.263 20 0 DBADRM CCOC(=O)CCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000081134341 957779267 /nfs/dbraw/zinc/77/92/67/957779267.db2.gz IEGFPFWKXQEUFJ-UHFFFAOYSA-N -1 0 322.383 -0.039 20 0 DBADRM COCc1nn(CN2CC[C@](COC)(C(=O)[O-])C2)c(=O)o1 ZINC001594033398 957783405 /nfs/dbraw/zinc/78/34/05/957783405.db2.gz SQJOODPDEWIGPY-LBPRGKRZSA-N -1 0 301.299 -0.637 20 0 DBADRM CON(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)[C@@H](C)C(=O)[O-] ZINC001594035620 957810752 /nfs/dbraw/zinc/81/07/52/957810752.db2.gz OCFAOASBGKMIMN-CPFSXVBKSA-N -1 0 313.310 -0.430 20 0 DBADRM Cc1cc(C)n2nc(NC(=O)NC[C@](C)(O)C(=O)[O-])nc2n1 ZINC001594299465 957890803 /nfs/dbraw/zinc/89/08/03/957890803.db2.gz AXTYFRHUIGMZKH-LBPRGKRZSA-N -1 0 308.298 -0.302 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C[C@H]1O ZINC001594042810 957895436 /nfs/dbraw/zinc/89/54/36/957895436.db2.gz JGNBMWUARXKKJM-VXGBXAGGSA-N -1 0 322.317 -0.530 20 0 DBADRM CO[C@H]1CCN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001594045522 957915411 /nfs/dbraw/zinc/91/54/11/957915411.db2.gz IKPDVFJCZZKZLX-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM Cc1cc(CCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])[nH]n1 ZINC001594301926 957917701 /nfs/dbraw/zinc/91/77/01/957917701.db2.gz AVAASHRWMQRANQ-JTQLQIEISA-N -1 0 315.351 -0.639 20 0 DBADRM Cc1cc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)[nH]n1 ZINC001594303951 957942703 /nfs/dbraw/zinc/94/27/03/957942703.db2.gz GOUAYGSYYVCATP-LLVKDONJSA-N -1 0 308.338 -0.049 20 0 DBADRM Cc1cc(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)n(C)n1 ZINC001594304211 957947657 /nfs/dbraw/zinc/94/76/57/957947657.db2.gz KUKQSDOMAIUCBJ-UHFFFAOYSA-N -1 0 320.309 -0.735 20 0 DBADRM CN1CC(=O)N(CC(=O)Nc2cccc(OCC(=O)[O-])c2)C1=O ZINC000390918773 972308111 /nfs/dbraw/zinc/30/81/11/972308111.db2.gz ASWLDFHYTLWSSJ-UHFFFAOYSA-N -1 0 321.289 -0.018 20 0 DBADRM COc1cc(C(=O)OCC(=O)NCC(=O)[O-])cc(OC)c1O ZINC001594051111 957993187 /nfs/dbraw/zinc/99/31/87/957993187.db2.gz YVBXVTTWPZVIFN-UHFFFAOYSA-N -1 0 313.262 -0.233 20 0 DBADRM CCC(O)(CC)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000087014812 958000261 /nfs/dbraw/zinc/00/02/61/958000261.db2.gz XPDWLCSIHBUCQI-UHFFFAOYSA-N -1 0 305.356 -0.203 20 0 DBADRM CNC(=O)CN(C)[C@H](C)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001485373925 1013164837 /nfs/dbraw/zinc/16/48/37/1013164837.db2.gz ZMFQWAAYLIAATB-MRVPVSSYSA-N -1 0 321.337 -0.276 20 0 DBADRM COc1cc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1O ZINC001594057474 958050050 /nfs/dbraw/zinc/05/00/50/958050050.db2.gz PPJGJGQWXPVWLB-SNVBAGLBSA-N -1 0 322.317 -0.050 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)no1 ZINC001594313628 958051652 /nfs/dbraw/zinc/05/16/52/958051652.db2.gz PVSWJZZSELCGCM-SECBINFHSA-N -1 0 307.266 -0.403 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])c(=O)n(C)c1 ZINC001594313958 958054539 /nfs/dbraw/zinc/05/45/39/958054539.db2.gz XRFWUGQZTXQMNF-SECBINFHSA-N -1 0 309.322 -0.189 20 0 DBADRM COc1cc(CS(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)sn1 ZINC001594058509 958062890 /nfs/dbraw/zinc/06/28/90/958062890.db2.gz BDYUWNAJQFXRRT-SNVBAGLBSA-N -1 0 322.364 -0.185 20 0 DBADRM Cc1cc(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)n[nH]1 ZINC001594316016 958063490 /nfs/dbraw/zinc/06/34/90/958063490.db2.gz IFTXILDUZSUYEL-UHFFFAOYSA-N -1 0 301.324 -0.064 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@](O)(C2CC2)C1)C(=O)[O-] ZINC001346513466 958069136 /nfs/dbraw/zinc/06/91/36/958069136.db2.gz AIPDPFDDFFCZKA-ABAIWWIYSA-N -1 0 312.366 -0.167 20 0 DBADRM CN1C(=O)C[C@@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)C1=O ZINC000088774819 958069611 /nfs/dbraw/zinc/06/96/11/958069611.db2.gz MDMAHRJQEBSYTC-ZCFIWIBFSA-N -1 0 318.332 -0.518 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCN1CC(F)F)C(=O)[O-] ZINC001348306931 958080323 /nfs/dbraw/zinc/08/03/23/958080323.db2.gz IIDPTWVCRXRZQG-DTWKUNHWSA-N -1 0 321.324 -0.331 20 0 DBADRM C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCN1CC(F)F)C(=O)[O-] ZINC001348306930 958081148 /nfs/dbraw/zinc/08/11/48/958081148.db2.gz IIDPTWVCRXRZQG-BDAKNGLRSA-N -1 0 321.324 -0.331 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCc2cscn2)nn1 ZINC000089697886 958085184 /nfs/dbraw/zinc/08/51/84/958085184.db2.gz AMSCBBKHPMMOLK-UHFFFAOYSA-N -1 0 310.339 -0.025 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCC(=O)NC2=O)o1 ZINC000089754727 958088527 /nfs/dbraw/zinc/08/85/27/958088527.db2.gz XCXXJWOAKHTIBC-YFKPBYRVSA-N -1 0 302.264 -0.939 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)c1cc(C(=O)[O-])nn1C ZINC001350602141 958107657 /nfs/dbraw/zinc/10/76/57/958107657.db2.gz VIBHSHPQGCATCA-UHFFFAOYSA-N -1 0 312.326 -0.657 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC001351685676 958117357 /nfs/dbraw/zinc/11/73/57/958117357.db2.gz TYKDZARWOVLRRG-SCZZXKLOSA-N -1 0 324.337 -0.094 20 0 DBADRM COc1cc(NCCCNC(=O)[C@@](C)(OC)C(=O)[O-])ncn1 ZINC001594065347 958127363 /nfs/dbraw/zinc/12/73/63/958127363.db2.gz CGNQWCOSHIVYFL-CYBMUJFWSA-N -1 0 312.326 -0.107 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114137 958155908 /nfs/dbraw/zinc/15/59/08/958155908.db2.gz REDKPGAOIXMEGQ-MRVPVSSYSA-N -1 0 321.282 -0.664 20 0 DBADRM CN(C)C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114136 958156877 /nfs/dbraw/zinc/15/68/77/958156877.db2.gz RWACVYDWJVCFIC-UHFFFAOYSA-N -1 0 304.299 -0.110 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N(CCO)CCO)c(F)c1 ZINC000092114526 958158675 /nfs/dbraw/zinc/15/86/75/958158675.db2.gz BSUTXESAKAMNRA-UHFFFAOYSA-N -1 0 307.299 -0.501 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC001353923645 958164981 /nfs/dbraw/zinc/16/49/81/958164981.db2.gz ZWXFBLZTWGYRCS-NWDGAFQWSA-N -1 0 302.371 -0.505 20 0 DBADRM COCc1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])ncn1 ZINC001354001997 958167222 /nfs/dbraw/zinc/16/72/22/958167222.db2.gz FVBGQCYNFSIIRO-SECBINFHSA-N -1 0 308.294 -0.363 20 0 DBADRM O=C([O-])c1cn(C2CN(S(=O)(=O)N3CCCCC3)C2)nn1 ZINC000092697288 958173440 /nfs/dbraw/zinc/17/34/40/958173440.db2.gz YOEIHXZIEWNQMC-UHFFFAOYSA-N -1 0 315.355 -0.436 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001594327024 958182171 /nfs/dbraw/zinc/18/21/71/958182171.db2.gz NGQOWUDIKNKDCM-NSHDSACASA-N -1 0 310.306 -0.436 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000092940081 958208811 /nfs/dbraw/zinc/20/88/11/958208811.db2.gz MKCQCDLSYNDTEB-OPRDCNLKSA-N -1 0 304.368 -0.915 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000092948593 958230698 /nfs/dbraw/zinc/23/06/98/958230698.db2.gz FLQYTLAZTUKIBA-IUCAKERBSA-N -1 0 321.399 -0.181 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000094221098 958269379 /nfs/dbraw/zinc/26/93/79/958269379.db2.gz QAQFJGTZAJIUPS-SNVBAGLBSA-N -1 0 313.397 -0.264 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NCc2ccc(=O)[nH]n2)c1 ZINC000391400627 972333902 /nfs/dbraw/zinc/33/39/02/972333902.db2.gz ZEHNVLMMHNEINJ-UHFFFAOYSA-N -1 0 310.291 -0.246 20 0 DBADRM Cc1ccc(C(=O)OCC(=O)C(=O)[O-])cc1S(N)(=O)=O ZINC001594349422 958335339 /nfs/dbraw/zinc/33/53/39/958335339.db2.gz GPDPLNUFPBHDPB-UHFFFAOYSA-N -1 0 301.276 -0.547 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c1cccs1)C(=O)[O-] ZINC000097472266 958348759 /nfs/dbraw/zinc/34/87/59/958348759.db2.gz YFNGUKJWMHFDQG-OOZYFLPDSA-N -1 0 300.336 -0.183 20 0 DBADRM Cc1conc1CN(C)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001485377473 1013172691 /nfs/dbraw/zinc/17/26/91/1013172691.db2.gz JPHFLGULFKYQKY-SECBINFHSA-N -1 0 324.341 -0.378 20 0 DBADRM C=CC(=O)NCCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588447720 958384230 /nfs/dbraw/zinc/38/42/30/958384230.db2.gz QMFIFPYDGUFYJY-JTQLQIEISA-N -1 0 311.338 -0.739 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N(C)CCC(=O)[O-])cc1O ZINC001594094385 958387046 /nfs/dbraw/zinc/38/70/46/958387046.db2.gz KLKOCTLKXNNRFO-UHFFFAOYSA-N -1 0 310.306 -0.050 20 0 DBADRM C=CC(=O)N(CC)CC(=O)N(CCC(=O)OC)CC(=O)[O-] ZINC001588448391 958387482 /nfs/dbraw/zinc/38/74/82/958387482.db2.gz YTPMLMAHXNNSCD-UHFFFAOYSA-N -1 0 300.311 -0.503 20 0 DBADRM C/C(=C\C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)CN1CCOCC1 ZINC001573340560 958538457 /nfs/dbraw/zinc/53/84/57/958538457.db2.gz RPLGJKFVEZOVIP-PVIKMQLLSA-N -1 0 324.377 -0.176 20 0 DBADRM Cn1cc(CCNS(=O)(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC000125298757 958559222 /nfs/dbraw/zinc/55/92/22/958559222.db2.gz QLELBSBGHRPTNN-UHFFFAOYSA-N -1 0 316.383 -0.406 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)NCCn2ccnn2)cc1 ZINC000126234560 958581360 /nfs/dbraw/zinc/58/13/60/958581360.db2.gz RCYIEFZBHKHQHO-UHFFFAOYSA-N -1 0 310.335 -0.116 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCCCn2ccnn2)CC1 ZINC000126248494 958581854 /nfs/dbraw/zinc/58/18/54/958581854.db2.gz VLEYXSPLMBIFHS-UHFFFAOYSA-N -1 0 317.371 -0.701 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000126267793 958584539 /nfs/dbraw/zinc/58/45/39/958584539.db2.gz QAQQECYSCIWHRJ-UWVGGRQHSA-N -1 0 306.384 -0.525 20 0 DBADRM CCCNC(=O)[C@H](C)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000126331057 958587584 /nfs/dbraw/zinc/58/75/84/958587584.db2.gz RIZHJRLLHYNSGO-UWVGGRQHSA-N -1 0 306.384 -0.525 20 0 DBADRM CCCCNC(=O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000126344136 958587804 /nfs/dbraw/zinc/58/78/04/958587804.db2.gz NFWMPLZKABBMIQ-SNVBAGLBSA-N -1 0 306.384 -0.524 20 0 DBADRM CS(=O)(=O)NCCNC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000128519263 958664754 /nfs/dbraw/zinc/66/47/54/958664754.db2.gz XMOCCAZVSBFBAH-UHFFFAOYSA-N -1 0 302.312 -0.550 20 0 DBADRM O=C([O-])[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1cccs1 ZINC000129635573 958714089 /nfs/dbraw/zinc/71/40/89/958714089.db2.gz LJZFSNJXKBQWGP-JTQLQIEISA-N -1 0 309.303 -0.460 20 0 DBADRM CC(C)(F)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001485391850 1013182684 /nfs/dbraw/zinc/18/26/84/1013182684.db2.gz CVSPQFFKEUDFGZ-UHFFFAOYSA-N -1 0 301.322 -0.689 20 0 DBADRM C[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485393680 1013183738 /nfs/dbraw/zinc/18/37/38/1013183738.db2.gz UKZVGNXZJIBCQE-NXEZZACHSA-N -1 0 321.385 -0.016 20 0 DBADRM CC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000133948061 958827874 /nfs/dbraw/zinc/82/78/74/958827874.db2.gz QOALSTPKCJCTCN-MRVPVSSYSA-N -1 0 302.308 -0.123 20 0 DBADRM CCNC(=O)[C@@H](C)NS(=O)(=O)c1scnc1C(=O)[O-] ZINC000134677552 958846738 /nfs/dbraw/zinc/84/67/38/958846738.db2.gz NXNRUYWYGSEZJL-RXMQYKEDSA-N -1 0 307.353 -0.356 20 0 DBADRM CCCNC(=O)CNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000134676619 958847416 /nfs/dbraw/zinc/84/74/16/958847416.db2.gz NYKFTIUYGZDNJD-UHFFFAOYSA-N -1 0 307.353 -0.354 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N[C@@H]1CCCCNC1=O ZINC000134681326 958849776 /nfs/dbraw/zinc/84/97/76/958849776.db2.gz DCGDNTYDJKXZBI-ZCFIWIBFSA-N -1 0 319.364 -0.212 20 0 DBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)NCC1(C(=O)[O-])CC1 ZINC000138897877 958951755 /nfs/dbraw/zinc/95/17/55/958951755.db2.gz BIGSGYNISICQMT-MRVPVSSYSA-N -1 0 307.393 -0.112 20 0 DBADRM Cn1cc(S(=O)(=O)NCC2(O)CCOCC2)cc1C(=O)[O-] ZINC000162575752 959218008 /nfs/dbraw/zinc/21/80/08/959218008.db2.gz JGDWTHVPAYXEED-UHFFFAOYSA-N -1 0 318.351 -0.457 20 0 DBADRM COCCN(CCO)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000164248850 959254244 /nfs/dbraw/zinc/25/42/44/959254244.db2.gz PBUUENUQPBQWNH-UHFFFAOYSA-N -1 0 310.353 -0.529 20 0 DBADRM O=C(CSCC(=O)N1CCOCC1)NCC1(C(=O)[O-])CC1 ZINC000166922598 959325199 /nfs/dbraw/zinc/32/51/99/959325199.db2.gz NIWDHZJRFURAGT-UHFFFAOYSA-N -1 0 316.379 -0.441 20 0 DBADRM COC[C@@H](NC(=O)CS[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000167311075 959341820 /nfs/dbraw/zinc/34/18/20/959341820.db2.gz IHBARIXAJTWAAG-JGVFFNPUSA-N -1 0 311.381 -0.878 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@H]2CCCCS2(=O)=O)CCOCC1 ZINC000167987562 959371373 /nfs/dbraw/zinc/37/13/73/959371373.db2.gz HAWGWQMNORLYQU-SNVBAGLBSA-N -1 0 319.379 -0.049 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000168741575 959387503 /nfs/dbraw/zinc/38/75/03/959387503.db2.gz BMNZBWXKYHEOLS-DTWKUNHWSA-N -1 0 321.351 -0.666 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000169241668 959404825 /nfs/dbraw/zinc/40/48/25/959404825.db2.gz WRXXZGXBYYTQSW-SVWIBVJCSA-N -1 0 303.344 -0.958 20 0 DBADRM CC(=O)N1CCC(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])CC1 ZINC000170579737 959417132 /nfs/dbraw/zinc/41/71/32/959417132.db2.gz SSDQLWZYJJBRSQ-GFCCVEGCSA-N -1 0 308.338 -0.220 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCCN2CC=CCC2)CC1 ZINC000392268909 972435862 /nfs/dbraw/zinc/43/58/62/972435862.db2.gz ZTOYAKBBEBRBDH-UHFFFAOYSA-N -1 0 317.411 -0.121 20 0 DBADRM CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@@H]1CCS(=O)(=O)C1 ZINC000222469897 959815755 /nfs/dbraw/zinc/81/57/55/959815755.db2.gz NPRIFQXFKDKFLD-BBBLOLIVSA-N -1 0 305.352 -0.346 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)N1CCOCC1 ZINC000222497415 959818245 /nfs/dbraw/zinc/81/82/45/959818245.db2.gz NMLHRPZOIVHFFO-MNOVXSKESA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000227115411 959921178 /nfs/dbraw/zinc/92/11/78/959921178.db2.gz GAPCXKXCAOFCGE-CPCISQLKSA-N -1 0 304.324 -0.469 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000227115394 959921662 /nfs/dbraw/zinc/92/16/62/959921662.db2.gz GAPCXKXCAOFCGE-WRWORJQWSA-N -1 0 304.324 -0.469 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)ccc1F ZINC000227254945 959941217 /nfs/dbraw/zinc/94/12/17/959941217.db2.gz MTXMVAKYYNJCSP-AOOOYVTPSA-N -1 0 305.283 -0.750 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@@H]2CC[C@@H](O)C2)CC1 ZINC000227547184 959953715 /nfs/dbraw/zinc/95/37/15/959953715.db2.gz JCUIBMXIZWDJEO-MWLCHTKSSA-N -1 0 306.384 -0.222 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCC1CCC(O)CC1 ZINC000227550324 959958899 /nfs/dbraw/zinc/95/88/99/959958899.db2.gz NPRCFFMJZZUYHJ-UHFFFAOYSA-N -1 0 303.340 -0.063 20 0 DBADRM CCc1nnc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)[nH]1 ZINC000392342535 972474707 /nfs/dbraw/zinc/47/47/07/972474707.db2.gz FWJHNODLVQOGJU-UHFFFAOYSA-N -1 0 314.327 -0.873 20 0 DBADRM CCN(CC)C(=O)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000228791783 960042148 /nfs/dbraw/zinc/04/21/48/960042148.db2.gz KJWFBWJSILMEPG-UHFFFAOYSA-N -1 0 321.399 -0.514 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000229031276 960054485 /nfs/dbraw/zinc/05/44/85/960054485.db2.gz CSTAUDCEXYOTCR-VIFPVBQESA-N -1 0 319.335 -0.321 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000229032159 960054666 /nfs/dbraw/zinc/05/46/66/960054666.db2.gz ZSHWTTKXTNUPBG-SECBINFHSA-N -1 0 303.336 -0.021 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000229030256 960054808 /nfs/dbraw/zinc/05/48/08/960054808.db2.gz MYTUEJPLTJJSKJ-MRVPVSSYSA-N -1 0 307.324 -0.120 20 0 DBADRM C[C@@H](CCNC(=O)NCCn1cc(C(=O)[O-])nn1)[S@@](C)=O ZINC000229851479 960097475 /nfs/dbraw/zinc/09/74/75/960097475.db2.gz CZAZMMLWSYIHBM-HXNGOWOSSA-N -1 0 317.371 -0.567 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C[C@@H](CO)O1 ZINC000229951020 960101285 /nfs/dbraw/zinc/10/12/85/960101285.db2.gz CNJRVYWPXUBADO-IUCAKERBSA-N -1 0 318.351 -0.506 20 0 DBADRM C[C@]1(O)CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000230347904 960144571 /nfs/dbraw/zinc/14/45/71/960144571.db2.gz YBWHXCPUIVVRDJ-LBPRGKRZSA-N -1 0 317.367 -0.107 20 0 DBADRM CN(C)S(=O)(=O)CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000231014994 960177228 /nfs/dbraw/zinc/17/72/28/960177228.db2.gz PUHJVBRGRPIGHH-UHFFFAOYSA-N -1 0 318.311 -0.009 20 0 DBADRM CNS(=O)(=O)CCNC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000231018310 960177246 /nfs/dbraw/zinc/17/72/46/960177246.db2.gz AHQKDJDQCMJDKZ-UHFFFAOYSA-N -1 0 315.351 -0.016 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000231017820 960177255 /nfs/dbraw/zinc/17/72/55/960177255.db2.gz YOOOACNWWXKONG-LLVKDONJSA-N -1 0 307.372 -0.568 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000231020089 960177932 /nfs/dbraw/zinc/17/79/32/960177932.db2.gz JQKSBAICGLRLLM-UHFFFAOYSA-N -1 0 316.339 -0.159 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCCCNS(C)(=O)=O ZINC000231024202 960178133 /nfs/dbraw/zinc/17/81/33/960178133.db2.gz YMZOFUSLUFDWDM-UHFFFAOYSA-N -1 0 317.367 -0.001 20 0 DBADRM C[C@@H]1CN(C(=O)NCCS(=O)(=O)N(C)C)C[C@H]1C(=O)[O-] ZINC000231022515 960178643 /nfs/dbraw/zinc/17/86/43/960178643.db2.gz WFZVYIAOMYMBPS-RKDXNWHRSA-N -1 0 307.372 -0.760 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](Cn2cc(CC(=O)[O-])nn2)C1 ZINC000231078267 960190978 /nfs/dbraw/zinc/19/09/78/960190978.db2.gz RAWCWQHHCXYDJI-SECBINFHSA-N -1 0 302.356 -0.423 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)[C@H](C)C(=O)NCCC(C)C)C(=O)[O-] ZINC000232577634 960283996 /nfs/dbraw/zinc/28/39/96/960283996.db2.gz CVYFSSWIBOUWHR-IQWQQKMBSA-N -1 0 320.411 -0.125 20 0 DBADRM CCCCNC(=O)[C@H](C)[S@](=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000232986097 960307565 /nfs/dbraw/zinc/30/75/65/960307565.db2.gz MGQIOOJFVZXECA-JNMGVNSFSA-N -1 0 306.384 -0.371 20 0 DBADRM CC[C@H](C)NC(=O)[C@H](C)[S@@](=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000233984765 960334966 /nfs/dbraw/zinc/33/49/66/960334966.db2.gz ZOZHWSIZVXZDTA-PUGIBIDJSA-N -1 0 306.384 -0.372 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000234368033 960352553 /nfs/dbraw/zinc/35/25/53/960352553.db2.gz MQDXNJSSBKSTRX-LURJTMIESA-N -1 0 321.380 -0.156 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)[C@H](C)C(=O)NC(C)(C)C)C(=O)[O-] ZINC000235400131 960427675 /nfs/dbraw/zinc/42/76/75/960427675.db2.gz CXZBBKAMURSFCJ-UNPXFWIXSA-N -1 0 306.384 -0.372 20 0 DBADRM C[C@H](NC(=O)c1cccs1)C(=O)NCC[C@H](O)C(=O)[O-] ZINC000235495046 960443897 /nfs/dbraw/zinc/44/38/97/960443897.db2.gz SEZSOKZQSJPASD-YUMQZZPRSA-N -1 0 300.336 -0.182 20 0 DBADRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000235731953 960483379 /nfs/dbraw/zinc/48/33/79/960483379.db2.gz DOOONJPDRAGFTC-UWVGGRQHSA-N -1 0 319.310 -0.442 20 0 DBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c1C ZINC000235854205 960519821 /nfs/dbraw/zinc/51/98/21/960519821.db2.gz TWZCLJQAXFSUOE-QWRGUYRKSA-N -1 0 315.347 -0.272 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)cn1 ZINC000236564137 960708393 /nfs/dbraw/zinc/70/83/93/960708393.db2.gz IXOONVHYPPQYCP-ZCFIWIBFSA-N -1 0 317.245 -0.831 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@@H](O)C(F)(F)F ZINC000236560635 960708527 /nfs/dbraw/zinc/70/85/27/960708527.db2.gz RASWIZIMGMHSFS-SCSAIBSYSA-N -1 0 303.218 -0.691 20 0 DBADRM CC(C)=CCN1CC(CCO)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001485408319 1013202770 /nfs/dbraw/zinc/20/27/70/1013202770.db2.gz CXLWDRPHYBGFRQ-UHFFFAOYSA-N -1 0 323.353 -0.584 20 0 DBADRM O=C(CCC(F)F)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001485410999 1013207693 /nfs/dbraw/zinc/20/76/93/1013207693.db2.gz JNYXIEIQNYFQNF-UHFFFAOYSA-N -1 0 319.312 -0.391 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)NC2(C(=O)[O-])CCOCC2)O1 ZINC001571075278 960951486 /nfs/dbraw/zinc/95/14/86/960951486.db2.gz UCTLCOUQDYBVTK-BDAKNGLRSA-N -1 0 301.295 -0.543 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)NC2(CCO)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001485417952 1013215086 /nfs/dbraw/zinc/21/50/86/1013215086.db2.gz DJHBWZBIEAECTR-MNOVXSKESA-N -1 0 323.397 -0.001 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)C2CC3(C2)CS(=O)(=O)C3)CCOC1 ZINC001571079265 960974869 /nfs/dbraw/zinc/97/48/69/960974869.db2.gz CLRVCVUNKNFWDY-GFCCVEGCSA-N -1 0 303.336 -0.829 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN[C@H](c2cn[nH]c2)C1 ZINC001571084346 961028853 /nfs/dbraw/zinc/02/88/53/961028853.db2.gz AHQQFDXLISLOHL-JTQLQIEISA-N -1 0 304.310 -0.372 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCC(=O)Nc1ncc[nH]1 ZINC001571091282 961100081 /nfs/dbraw/zinc/10/00/81/961100081.db2.gz DASDOPPRBSDVPQ-UHFFFAOYSA-N -1 0 306.282 -0.400 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)C1 ZINC001571092942 961130534 /nfs/dbraw/zinc/13/05/34/961130534.db2.gz ZUYMWPOFWPRTQC-DBIOUOCHSA-N -1 0 306.322 -0.604 20 0 DBADRM CCCNC(=O)[C@@H](C)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000250546545 961220710 /nfs/dbraw/zinc/22/07/10/961220710.db2.gz RIZHJRLLHYNSGO-NXEZZACHSA-N -1 0 306.384 -0.525 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000250813978 961229396 /nfs/dbraw/zinc/22/93/96/961229396.db2.gz VXLDVLWWJGVVOK-JOYOIKCWSA-N -1 0 304.368 -0.914 20 0 DBADRM CN1CCN(C)[C@@H](CNS(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001598614961 1017347750 /nfs/dbraw/zinc/34/77/50/1017347750.db2.gz TXDNQQRVNKLTGA-JTQLQIEISA-N -1 0 305.400 -0.984 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000252434559 961269196 /nfs/dbraw/zinc/26/91/96/961269196.db2.gz ZZVLFAVXLOVXFC-ZJUUUORDSA-N -1 0 306.384 -0.525 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000262112926 961471438 /nfs/dbraw/zinc/47/14/38/961471438.db2.gz IVBXGNTWELUQEH-ZETCQYMHSA-N -1 0 302.308 -0.259 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000262124814 961480028 /nfs/dbraw/zinc/48/00/28/961480028.db2.gz PWCQDFILZALFKM-UHFFFAOYSA-N -1 0 304.328 -0.812 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC001574466857 961573168 /nfs/dbraw/zinc/57/31/68/961573168.db2.gz IPIVICOIIOHBHA-SECBINFHSA-N -1 0 316.383 -0.381 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001571133336 961588041 /nfs/dbraw/zinc/58/80/41/961588041.db2.gz OAHNDUDMGMCOTC-NSHDSACASA-N -1 0 317.338 -0.217 20 0 DBADRM Cn1ncc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1Cl ZINC001574467784 961591209 /nfs/dbraw/zinc/59/12/09/961591209.db2.gz PQDIDNYGMWJJPV-ZETCQYMHSA-N -1 0 321.742 -0.603 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@@]1(F)CCS(=O)(=O)C1)C(=O)[O-] ZINC001574472304 961604723 /nfs/dbraw/zinc/60/47/23/961604723.db2.gz MEUUEMLBWGBBGV-GZMMTYOYSA-N -1 0 319.314 -0.811 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000262268728 961606407 /nfs/dbraw/zinc/60/64/07/961606407.db2.gz YFPWKUPYRUHLJU-ZJUUUORDSA-N -1 0 306.384 -0.115 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)C1=CS(=O)(=O)CCC1)C(=O)[O-] ZINC001574472569 961610561 /nfs/dbraw/zinc/61/05/61/961610561.db2.gz NVOLNQAASIKUDT-SNVBAGLBSA-N -1 0 313.335 -0.246 20 0 DBADRM NC(=O)CC1CC(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001574495811 961729245 /nfs/dbraw/zinc/72/92/45/961729245.db2.gz CHHMDCFMZLHUAB-UDNWOFFPSA-N -1 0 311.338 -0.920 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)CC(=O)NC1CCCC1)C(=O)[O-] ZINC000300444685 963008881 /nfs/dbraw/zinc/00/88/81/963008881.db2.gz CKCCEHRDKWUJJK-WVDJIFEKSA-N -1 0 304.368 -0.617 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)C(F)(F)C(F)F ZINC000300478795 963012960 /nfs/dbraw/zinc/01/29/60/963012960.db2.gz GFGBFQBKDXGQTD-YFKPBYRVSA-N -1 0 321.248 -0.013 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598634460 1017362508 /nfs/dbraw/zinc/36/25/08/1017362508.db2.gz LEXVJPBDYCCOIM-LURJTMIESA-N -1 0 304.328 -0.890 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000311936794 963523913 /nfs/dbraw/zinc/52/39/13/963523913.db2.gz WWXHWWUEHUAOTL-SSDOTTSWSA-N -1 0 309.365 -0.190 20 0 DBADRM Cc1c[nH]nc1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000312239171 963546801 /nfs/dbraw/zinc/54/68/01/963546801.db2.gz BIXNGEBATZXMJJ-QMMMGPOBSA-N -1 0 301.324 -0.568 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000312307556 963553011 /nfs/dbraw/zinc/55/30/11/963553011.db2.gz OWYJFYILEIOZMM-UHFFFAOYSA-N -1 0 301.324 -0.281 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000312327686 963554202 /nfs/dbraw/zinc/55/42/02/963554202.db2.gz YYTBYGGLUBBRBW-JTQLQIEISA-N -1 0 303.336 -0.021 20 0 DBADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])[nH]1)NS(C)(=O)=O ZINC000312544118 963572959 /nfs/dbraw/zinc/57/29/59/963572959.db2.gz RDSDOACRHBNQLA-UHFFFAOYSA-N -1 0 303.340 -0.230 20 0 DBADRM Cc1cc(NC(=O)CNS(=O)(=O)N(C)C)c(C(=O)[O-])[nH]1 ZINC000312547681 963574399 /nfs/dbraw/zinc/57/43/99/963574399.db2.gz XBHQRPBIJFKNHY-UHFFFAOYSA-N -1 0 304.328 -0.644 20 0 DBADRM CCC[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(N)=O ZINC000312624250 963579396 /nfs/dbraw/zinc/57/93/96/963579396.db2.gz PXZODAAFDKDBJK-VIFPVBQESA-N -1 0 307.372 -0.729 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000312738978 963589085 /nfs/dbraw/zinc/58/90/85/963589085.db2.gz UWDHGATVSISUGI-LBPRGKRZSA-N -1 0 305.400 -0.335 20 0 DBADRM CN(c1nccc(C(=O)[O-])n1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000312914806 963604265 /nfs/dbraw/zinc/60/42/65/963604265.db2.gz BWKBPINJNQEGJL-MRVPVSSYSA-N -1 0 300.340 -0.355 20 0 DBADRM C[C@@](CO)(NC(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC000313507292 963652593 /nfs/dbraw/zinc/65/25/93/963652593.db2.gz LGADVFRJLBPERW-ZDUSSCGKSA-N -1 0 315.347 -0.203 20 0 DBADRM C[C@@](CO)(NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000313508401 963653623 /nfs/dbraw/zinc/65/36/23/963653623.db2.gz NKEZHICMBQOWDO-WKEGUHRASA-N -1 0 312.244 -0.651 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000313537167 963664494 /nfs/dbraw/zinc/66/44/94/963664494.db2.gz IINBXQWAAHQKMZ-SNVBAGLBSA-N -1 0 322.270 -0.152 20 0 DBADRM COC(=O)c1ccccc1S(=O)(=O)N[C@](C)(CO)C(=O)[O-] ZINC000313554045 963666381 /nfs/dbraw/zinc/66/63/81/963666381.db2.gz YKLWTTDKSJBBTE-GFCCVEGCSA-N -1 0 317.319 -0.413 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000313988563 963697428 /nfs/dbraw/zinc/69/74/28/963697428.db2.gz KDKZIADZGIMTMB-UHFFFAOYSA-N -1 0 319.314 -0.142 20 0 DBADRM C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3n[nH]cc3C(=O)[O-])C[C@@H]2C1 ZINC000314006779 963699732 /nfs/dbraw/zinc/69/97/32/963699732.db2.gz MWIZNCARNGGKGE-BDAKNGLRSA-N -1 0 314.367 -0.320 20 0 DBADRM CC(=O)NCc1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000314178522 963721769 /nfs/dbraw/zinc/72/17/69/963721769.db2.gz DCCRWOXEHFVTLB-UHFFFAOYSA-N -1 0 307.306 -0.747 20 0 DBADRM CNC(=O)[C@H]1CN(Cc2noc(CCCC(=O)[O-])n2)CCO1 ZINC001598638277 1017363560 /nfs/dbraw/zinc/36/35/60/1017363560.db2.gz XUOITJUVXXEOBK-SECBINFHSA-N -1 0 312.326 -0.576 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N[C@H]2CCCCNC2=O)c1 ZINC000314535674 963765678 /nfs/dbraw/zinc/76/56/78/963765678.db2.gz XBPOGVDSHISYPL-VIFPVBQESA-N -1 0 313.335 -0.273 20 0 DBADRM COc1ccc(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])nn1 ZINC000314597666 963775090 /nfs/dbraw/zinc/77/50/90/963775090.db2.gz XJEPIQDKEXFIOH-SNVBAGLBSA-N -1 0 315.351 -0.441 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000314775928 963809254 /nfs/dbraw/zinc/80/92/54/963809254.db2.gz LPQLCNNDSBZXFS-NSHDSACASA-N -1 0 315.351 -0.676 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@@H](CC(F)F)C(=O)[O-])CC1=O ZINC000314856667 963821767 /nfs/dbraw/zinc/82/17/67/963821767.db2.gz WECFRZBOYCAAOI-YUMQZZPRSA-N -1 0 308.281 -0.294 20 0 DBADRM COCC[C@@H](COC)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000314875860 963824119 /nfs/dbraw/zinc/82/41/19/963824119.db2.gz KYUWRLACDFNZNN-VIFPVBQESA-N -1 0 321.355 -0.703 20 0 DBADRM CS(=O)(=O)c1ccc(=O)n(CCn2cc(C(=O)[O-])nn2)c1 ZINC000315106374 963856606 /nfs/dbraw/zinc/85/66/06/963856606.db2.gz QHTTUUAUWIUBFS-UHFFFAOYSA-N -1 0 312.307 -0.758 20 0 DBADRM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000315110886 963857956 /nfs/dbraw/zinc/85/79/56/963857956.db2.gz OBECYDHXMLBNGR-SECBINFHSA-N -1 0 313.335 -0.321 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])no1)c1nncn1C ZINC000315429170 963900091 /nfs/dbraw/zinc/90/00/91/963900091.db2.gz OWKYKMVENVPLQP-RXMQYKEDSA-N -1 0 301.284 -0.459 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000315438424 963901113 /nfs/dbraw/zinc/90/11/13/963901113.db2.gz QEFICDJJHKDHKL-JQWIXIFHSA-N -1 0 304.302 -0.208 20 0 DBADRM CC[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315456937 963904146 /nfs/dbraw/zinc/90/41/46/963904146.db2.gz SMPBOXHHIUZKAU-SSDOTTSWSA-N -1 0 319.339 -0.044 20 0 DBADRM COCCOCCN(C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315543557 963913348 /nfs/dbraw/zinc/91/33/48/963913348.db2.gz HSVRZEWNDKZMRV-UHFFFAOYSA-N -1 0 308.312 -0.344 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1ccc2c(c1)OCCO2 ZINC000315745773 963931842 /nfs/dbraw/zinc/93/18/42/963931842.db2.gz MPLQBLOXMDMDLG-UHFFFAOYSA-N -1 0 309.278 -0.220 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000315902586 963949681 /nfs/dbraw/zinc/94/96/81/963949681.db2.gz MUSQNTDWJNQRKE-SECBINFHSA-N -1 0 307.314 -0.439 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])no1)c1ncn(C)n1 ZINC000316020770 963966252 /nfs/dbraw/zinc/96/62/52/963966252.db2.gz SVEABLPOOZVVNB-YFKPBYRVSA-N -1 0 301.284 -0.459 20 0 DBADRM NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000316067700 963972212 /nfs/dbraw/zinc/97/22/12/963972212.db2.gz YJBDKITYKFOAGG-ZETCQYMHSA-N -1 0 303.296 -0.599 20 0 DBADRM O=C(Cn1c(=O)oc2ccccc21)N[C@]1(C(=O)[O-])CCOC1 ZINC000316253295 963994383 /nfs/dbraw/zinc/99/43/83/963994383.db2.gz IZNWTVYQKXTOIF-CQSZACIVSA-N -1 0 306.274 -0.046 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@H](CO)[C@H](O)C2)c(F)c1 ZINC000316338991 964004085 /nfs/dbraw/zinc/00/40/85/964004085.db2.gz CUCNRDRLWJRTOT-PSASIEDQSA-N -1 0 319.310 -0.502 20 0 DBADRM O=C([O-])c1ccc(F)cc1S(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000316496328 964017776 /nfs/dbraw/zinc/01/77/76/964017776.db2.gz YTDPRIFEJDQSMT-XCBNKYQSSA-N -1 0 319.310 -0.502 20 0 DBADRM COCCn1nc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)ccc1=O ZINC000316534213 964020625 /nfs/dbraw/zinc/02/06/25/964020625.db2.gz WRXDTYIHJRZTRM-VHSXEESVSA-N -1 0 309.322 -0.127 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccco1)C(=O)[O-] ZINC000316898052 964069270 /nfs/dbraw/zinc/06/92/70/964069270.db2.gz RWYPTHYRXNQIIK-YUMQZZPRSA-N -1 0 312.278 -0.470 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)nn1 ZINC000316990162 964084193 /nfs/dbraw/zinc/08/41/93/964084193.db2.gz MSYYQCOPFFBCQR-RKDXNWHRSA-N -1 0 307.310 -0.897 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCCC(=O)N1CCOCC1 ZINC000317046720 964090837 /nfs/dbraw/zinc/09/08/37/964090837.db2.gz PBQASHQOSFJVGO-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM O=C(CCc1ccco1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001485974043 1013470013 /nfs/dbraw/zinc/47/00/13/1013470013.db2.gz VVLLOYOFMQIXLV-VIFPVBQESA-N -1 0 309.326 -0.697 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001598641672 1017365066 /nfs/dbraw/zinc/36/50/66/1017365066.db2.gz HWQJPMPMRXZNLP-UHFFFAOYSA-N -1 0 307.306 -0.543 20 0 DBADRM CCCOCC(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001595945694 1017109460 /nfs/dbraw/zinc/10/94/60/1017109460.db2.gz QJAUXHBZDHJCAC-UHFFFAOYSA-N -1 0 307.368 -0.049 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001598642559 1017366653 /nfs/dbraw/zinc/36/66/53/1017366653.db2.gz TUEJFNWSTARTQH-UHFFFAOYSA-N -1 0 310.715 -0.002 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H]1CCC(F)(F)C1 ZINC001486002240 1013538157 /nfs/dbraw/zinc/53/81/57/1013538157.db2.gz NAHAWNQQLXPGIQ-YUMQZZPRSA-N -1 0 319.312 -0.488 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)cc(C)n1 ZINC001485999952 1013535017 /nfs/dbraw/zinc/53/50/17/1013535017.db2.gz ITYDVZVHQIEUPN-NSHDSACASA-N -1 0 320.353 -0.597 20 0 DBADRM Cc1ccoc1CC(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001486034422 1013601143 /nfs/dbraw/zinc/60/11/43/1013601143.db2.gz QHFXDMNDAASKBM-SECBINFHSA-N -1 0 309.326 -0.779 20 0 DBADRM CNS(=O)(=O)NCC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-] ZINC001598671145 1017381588 /nfs/dbraw/zinc/38/15/88/1017381588.db2.gz NJFVRRQIQOZCRI-UHFFFAOYSA-N -1 0 323.415 -0.364 20 0 DBADRM CCn1cccc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001486064510 1013648877 /nfs/dbraw/zinc/64/88/77/1013648877.db2.gz VZHMDJQEUYMFCR-VIFPVBQESA-N -1 0 308.342 -0.788 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N2CCSCC2)C[C@@H]1C(=O)[O-] ZINC001598812361 1017428051 /nfs/dbraw/zinc/42/80/51/1017428051.db2.gz ZZBMALCESCOEFM-DTWKUNHWSA-N -1 0 302.352 -0.039 20 0 DBADRM COC(OC)C(=O)N1[C@@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-] ZINC001599059884 1017501665 /nfs/dbraw/zinc/50/16/65/1017501665.db2.gz OCSQGFZTAWEZJT-HTQZYQBOSA-N -1 0 320.367 -0.514 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H](CO)NC(=O)OC(C)(C)C ZINC001599234158 1017564976 /nfs/dbraw/zinc/56/49/76/1017564976.db2.gz JGOOCAKQTSXZOS-SECBINFHSA-N -1 0 320.342 -0.568 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cn(C)c(Cl)n2)C[C@@H](C(=O)[O-])O1 ZINC001599931325 1017667350 /nfs/dbraw/zinc/66/73/50/1017667350.db2.gz ZOKPBXNCZKWRRP-BQBZGAKWSA-N -1 0 323.758 -0.064 20 0 DBADRM CSC[C@@](C)(O)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599790912 1017633286 /nfs/dbraw/zinc/63/32/86/1017633286.db2.gz OWYSXXRWEXVONV-UBJUHAIHSA-N -1 0 321.399 -0.623 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000054300585 967538109 /nfs/dbraw/zinc/53/81/09/967538109.db2.gz JVACGICAHSFRHR-WDEREUQCSA-N -1 0 318.395 -0.524 20 0 DBADRM C[C@H](CN(C)C(=O)NCCC(=O)N1CCOCC1)C(=O)[O-] ZINC000124845541 967618869 /nfs/dbraw/zinc/61/88/69/967618869.db2.gz PXAYYORUVZUIDF-SNVBAGLBSA-N -1 0 301.343 -0.403 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000166166507 967672382 /nfs/dbraw/zinc/67/23/82/967672382.db2.gz PNPGKUFHRNDNQF-VIFPVBQESA-N -1 0 322.383 -0.400 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@H](O)C2CC2)CCS(=O)(=O)CC1 ZINC001605923014 1018673967 /nfs/dbraw/zinc/67/39/67/1018673967.db2.gz QKVHRGASVJYAEG-SECBINFHSA-N -1 0 305.352 -0.847 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)C[C@@H]1CCCOC1 ZINC001606324199 1018811796 /nfs/dbraw/zinc/81/17/96/1018811796.db2.gz AEGKGEJMGLOSKH-RKDXNWHRSA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)N1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001606491909 1018848136 /nfs/dbraw/zinc/84/81/36/1018848136.db2.gz RYVGTDPSUFVXCI-UHFFFAOYSA-N -1 0 306.340 -0.435 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000312244032 967954706 /nfs/dbraw/zinc/95/47/06/967954706.db2.gz DBFFJCRORVGWHK-UHFFFAOYSA-N -1 0 307.372 -0.858 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000318209580 967990014 /nfs/dbraw/zinc/99/00/14/967990014.db2.gz FWZCHLMEHHVJPK-JTQLQIEISA-N -1 0 305.294 -0.645 20 0 DBADRM COC(=O)C[C@@H](OC(=O)C[C@@H]1CCOC[C@H]1OC)C(=O)[O-] ZINC001606476879 1018846791 /nfs/dbraw/zinc/84/67/91/1018846791.db2.gz OTPWPVJSJCHAEP-IVZWLZJFSA-N -1 0 304.295 -0.013 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC[C@@H](N2CCOCC2)C1 ZINC000382476768 968097881 /nfs/dbraw/zinc/09/78/81/968097881.db2.gz HJYIRTWFWURGPK-GFCCVEGCSA-N -1 0 320.411 -0.718 20 0 DBADRM C[C@H](C(=O)[O-])N(CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000383012869 968105212 /nfs/dbraw/zinc/10/52/12/968105212.db2.gz CAFMHRRWRQDFHX-BDAKNGLRSA-N -1 0 304.368 -0.773 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCC[C@](O)(CO)C2)CCC1 ZINC001608570079 1019203021 /nfs/dbraw/zinc/20/30/21/1019203021.db2.gz DBJAXZHEOUWOOE-GFCCVEGCSA-N -1 0 307.368 -0.610 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000396739564 968230635 /nfs/dbraw/zinc/23/06/35/968230635.db2.gz BOOXDIXMGFXYHL-UHFFFAOYSA-N -1 0 321.289 -0.107 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001596180931 1017116585 /nfs/dbraw/zinc/11/65/85/1017116585.db2.gz IVORATPKWNQWPP-MRVPVSSYSA-N -1 0 317.367 -0.132 20 0 DBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H](C)NC(=O)C(F)F ZINC001486628743 1013865359 /nfs/dbraw/zinc/86/53/59/1013865359.db2.gz YFAQGRBXIISIEV-RITPCOANSA-N -1 0 318.280 -0.626 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001596181152 1017117112 /nfs/dbraw/zinc/11/71/12/1017117112.db2.gz NSYCLMJXOPMZCC-IVZWLZJFSA-N -1 0 301.343 -0.358 20 0 DBADRM CC(=O)NC[C@H](C)N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001486780087 1013880500 /nfs/dbraw/zinc/88/05/00/1013880500.db2.gz OHGXVPKJDQPSQK-QMMMGPOBSA-N -1 0 306.326 -0.946 20 0 DBADRM C[C@@H](C(=O)[O-])N(C1CCC1)S(=O)(=O)CCS(C)(=O)=O ZINC001589478878 1021250371 /nfs/dbraw/zinc/25/03/71/1021250371.db2.gz KXYQEAPQYIHRSW-QMMMGPOBSA-N -1 0 313.397 -0.312 20 0 DBADRM CCN([C@@H]1CCNC1=O)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001596196688 1017119369 /nfs/dbraw/zinc/11/93/69/1017119369.db2.gz KUJQVCXIUYCPLT-SECBINFHSA-N -1 0 315.351 -0.378 20 0 DBADRM CCCC(=O)N[C@H]1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001487393587 1013981510 /nfs/dbraw/zinc/98/15/10/1013981510.db2.gz BLLJQZSAYKATRV-ZKCHVHJHSA-N -1 0 309.326 -0.293 20 0 DBADRM CO[C@@]1(CNC(=O)NCCn2cc(C(=O)[O-])nn2)CCOC1 ZINC000317786795 970387198 /nfs/dbraw/zinc/38/71/98/970387198.db2.gz WMWVYINJMLYCFC-GFCCVEGCSA-N -1 0 313.314 -0.919 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000317967456 970400082 /nfs/dbraw/zinc/40/00/82/970400082.db2.gz BDWZVOOGMSUWOU-QMMMGPOBSA-N -1 0 312.330 -0.858 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN1CC(=O)NCCOc1ccccc1 ZINC000318161734 970414346 /nfs/dbraw/zinc/41/43/46/970414346.db2.gz FCBMBFMXTFYEHW-WCQYABFASA-N -1 0 308.334 -0.299 20 0 DBADRM Cn1cc(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)nn1 ZINC000318876871 970484218 /nfs/dbraw/zinc/48/42/18/970484218.db2.gz LXPFBAPPDOZAAB-UHFFFAOYSA-N -1 0 303.278 -0.118 20 0 DBADRM C[C@@H](CCCNC(=O)C1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001487525344 1014000336 /nfs/dbraw/zinc/00/03/36/1014000336.db2.gz QCGWEVZPWLLJKE-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CC[C@H](C)C[C@@H]2C(=O)[O-])CC1 ZINC000319341826 970526364 /nfs/dbraw/zinc/52/63/64/970526364.db2.gz UAYUHOWMIZKFMH-WCQYABFASA-N -1 0 311.382 -0.138 20 0 DBADRM COCCOCCN(C)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000319492788 970540951 /nfs/dbraw/zinc/54/09/51/970540951.db2.gz VPBPEBOUYFSYRE-UHFFFAOYSA-N -1 0 315.330 -0.719 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000319589178 970550993 /nfs/dbraw/zinc/55/09/93/970550993.db2.gz KARMLGGMKSLDFX-NSHDSACASA-N -1 0 320.261 -0.044 20 0 DBADRM CC1(C)CN(C(=O)NCCn2cc(C(=O)[O-])nn2)CC[C@H]1O ZINC000320045571 970606212 /nfs/dbraw/zinc/60/62/12/970606212.db2.gz UUIHWQJHQXWGRH-SNVBAGLBSA-N -1 0 311.342 -0.221 20 0 DBADRM O=C([O-])c1ccnc(N2CCN3C(=O)NC[C@H]3C2)c1[N+](=O)[O-] ZINC000320296034 970644006 /nfs/dbraw/zinc/64/40/06/970644006.db2.gz ZUQSOQYGFZUCQN-ZETCQYMHSA-N -1 0 307.266 -0.098 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCCCn2ccnc2)nn1 ZINC000321255565 970756645 /nfs/dbraw/zinc/75/66/45/970756645.db2.gz PFCQUWLOMLFEAE-UHFFFAOYSA-N -1 0 321.341 -0.048 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)Cn1nc(C(=O)[O-])ccc1=O ZINC001596204255 1017121015 /nfs/dbraw/zinc/12/10/15/1017121015.db2.gz ROOFRZGMSBNTLT-UHFFFAOYSA-N -1 0 324.337 -0.685 20 0 DBADRM CC[C@](COC)(NC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC000392874830 972536499 /nfs/dbraw/zinc/53/64/99/972536499.db2.gz LPFKLZKVUNYJHL-NOZJJQNGSA-N -1 0 301.343 -0.227 20 0 DBADRM Cc1nnc(CNC(=O)NCC2(C(=O)[O-])CCOCC2)n1C ZINC000393237988 972575201 /nfs/dbraw/zinc/57/52/01/972575201.db2.gz JOODTWWSROOCBB-UHFFFAOYSA-N -1 0 311.342 -0.196 20 0 DBADRM CC(C)=CC(=O)N[C@@H](C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001487857254 1014044913 /nfs/dbraw/zinc/04/49/13/1014044913.db2.gz ZDCPYEWQMMAWNN-VIFPVBQESA-N -1 0 311.342 -0.381 20 0 DBADRM CC(C)=CC(=O)N[C@H](C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001487857253 1014045107 /nfs/dbraw/zinc/04/51/07/1014045107.db2.gz ZDCPYEWQMMAWNN-SECBINFHSA-N -1 0 311.342 -0.381 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000393880128 972654747 /nfs/dbraw/zinc/65/47/47/972654747.db2.gz IZWUSHZRPDXBQS-UHFFFAOYSA-N -1 0 303.336 -0.346 20 0 DBADRM CCCN(CC(N)=O)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000394022982 972665794 /nfs/dbraw/zinc/66/57/94/972665794.db2.gz AQGSSGZZXVMURT-UHFFFAOYSA-N -1 0 307.353 -0.273 20 0 DBADRM CC(C)[C@@H](CO)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000394174637 972680351 /nfs/dbraw/zinc/68/03/51/972680351.db2.gz FXPGZCLFYNOIIK-LLVKDONJSA-N -1 0 308.400 -0.118 20 0 DBADRM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2S(=O)(=O)N(C)CCC(=O)[O-] ZINC000394256694 972691252 /nfs/dbraw/zinc/69/12/52/972691252.db2.gz XUBSNTUNEUFDLE-CXWACVEQSA-N -1 0 318.395 -0.007 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000394662204 972732339 /nfs/dbraw/zinc/73/23/39/972732339.db2.gz AEALMFPIYNGYEA-LLVKDONJSA-N -1 0 305.400 -0.840 20 0 DBADRM NS(=O)(=O)c1ccc(N2CC(O)(C3CC3)C2)c(C(=O)[O-])c1 ZINC000395187144 972779364 /nfs/dbraw/zinc/77/93/64/972779364.db2.gz UCOJVJWUNQNPIZ-UHFFFAOYSA-N -1 0 312.347 -0.007 20 0 DBADRM NC(=O)COc1ccc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1 ZINC000395302740 972786542 /nfs/dbraw/zinc/78/65/42/972786542.db2.gz VSEKZOJBVMETOP-AWEZNQCLSA-N -1 0 308.290 -0.788 20 0 DBADRM C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000395410452 972796620 /nfs/dbraw/zinc/79/66/20/972796620.db2.gz HVEQOQZBPJIPDL-BONVTDFDSA-N -1 0 306.318 -0.147 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])s2)C[C@H]1O ZINC000395781844 972830090 /nfs/dbraw/zinc/83/00/90/972830090.db2.gz MTJHTLWGUQXESV-RNFRBKRXSA-N -1 0 307.349 -0.174 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2csc(C(=O)[O-])c2)C[C@H]1O ZINC000395799955 972832289 /nfs/dbraw/zinc/83/22/89/972832289.db2.gz ZIQYHDDNKKWBLA-HTQZYQBOSA-N -1 0 307.349 -0.174 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCC2(CO)CC2)cn1 ZINC000395823223 972835610 /nfs/dbraw/zinc/83/56/10/972835610.db2.gz RZGNNZUDWQNOJF-UHFFFAOYSA-N -1 0 303.340 -0.591 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC=CCC2)c1[O-] ZINC001487938624 1014064797 /nfs/dbraw/zinc/06/47/97/1014064797.db2.gz KOTJGCJMUMCTQN-QWRGUYRKSA-N -1 0 322.365 -0.013 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CCNC(=O)CC2)cc1C(=O)[O-] ZINC000396667058 972933451 /nfs/dbraw/zinc/93/34/51/972933451.db2.gz QFYUTDUSIMSJRL-MRVPVSSYSA-N -1 0 315.351 -0.330 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N[C@@H]1CCNC(=O)CC1 ZINC000396686066 972933527 /nfs/dbraw/zinc/93/35/27/972933527.db2.gz YZSKTFVNEOSBAX-LURJTMIESA-N -1 0 319.364 -0.212 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCc3c[nH]nc3C2)cn1 ZINC000396800411 972939246 /nfs/dbraw/zinc/93/92/46/972939246.db2.gz KJHPDJIUYLJTOA-UHFFFAOYSA-N -1 0 311.323 -0.562 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC000396905353 972950057 /nfs/dbraw/zinc/95/00/57/972950057.db2.gz YYUKLYNKHUIDRZ-NKWVEPMBSA-N -1 0 322.364 -0.795 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC000397069598 972963588 /nfs/dbraw/zinc/96/35/88/972963588.db2.gz XWEBWBPFVQLSGN-VHSXEESVSA-N -1 0 319.383 -0.952 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000397529721 973007680 /nfs/dbraw/zinc/00/76/80/973007680.db2.gz ZQIPGTDXLKCIED-UHFFFAOYSA-N -1 0 316.335 -0.176 20 0 DBADRM Cc1csc(C(=O)[O-])c1S(=O)(=O)NCc1nnn(C)n1 ZINC000398069212 973063831 /nfs/dbraw/zinc/06/38/31/973063831.db2.gz FEVSJBAAWNIWDE-UHFFFAOYSA-N -1 0 317.352 -0.243 20 0 DBADRM C[C@]12CCC(=O)N1[C@H](C(=O)NC[C@@H](O)CC(=O)[O-])CS2 ZINC000398222940 973085417 /nfs/dbraw/zinc/08/54/17/973085417.db2.gz DCKZCEWWGIFKHX-UBJUHAIHSA-N -1 0 302.352 -0.608 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])cc1 ZINC000398251896 973091901 /nfs/dbraw/zinc/09/19/01/973091901.db2.gz XBHUMFIJOYXRLN-VIFPVBQESA-N -1 0 316.335 -0.840 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000398265449 973097150 /nfs/dbraw/zinc/09/71/50/973097150.db2.gz NBBPZOWJKICSKW-MRVPVSSYSA-N -1 0 304.280 -0.291 20 0 DBADRM C[C@@H](CNC(=O)NCCCCCCC(=O)[O-])S(N)(=O)=O ZINC000398336639 973120920 /nfs/dbraw/zinc/12/09/20/973120920.db2.gz PODMULUIDKVBDB-VIFPVBQESA-N -1 0 309.388 -0.002 20 0 DBADRM CNC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC000398595183 973157128 /nfs/dbraw/zinc/15/71/28/973157128.db2.gz UDNSOKOATIZVPA-MRVPVSSYSA-N -1 0 315.351 -0.520 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@H](C)C2CC2)c1[O-] ZINC001487970784 1014087259 /nfs/dbraw/zinc/08/72/59/1014087259.db2.gz OGTBTYIRRARXFS-GMSGAONNSA-N -1 0 310.354 -0.323 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)[C@H](C)C[S@](C)=O)c1C(=O)[O-] ZINC000398882633 973178873 /nfs/dbraw/zinc/17/88/73/973178873.db2.gz IOLLAPMQHRFRTN-YIVBRQOJSA-N -1 0 323.396 -0.196 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NCc2ncc(C(=O)[O-])s2)C1 ZINC000400151088 973253832 /nfs/dbraw/zinc/25/38/32/973253832.db2.gz QIBSQAWAWZHEHF-SSDOTTSWSA-N -1 0 305.381 -0.035 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)c2cc(C(=O)[O-])no2)CC1 ZINC000400187517 973258299 /nfs/dbraw/zinc/25/82/99/973258299.db2.gz SBPSXDDVMWFKHC-UHFFFAOYSA-N -1 0 317.323 -0.473 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000400262580 973262636 /nfs/dbraw/zinc/26/26/36/973262636.db2.gz IQOBYBFIXVYZTH-SECBINFHSA-N -1 0 315.351 -0.133 20 0 DBADRM CCN(CC)C(=O)CN(C)CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596245999 1017123992 /nfs/dbraw/zinc/12/39/92/1017123992.db2.gz LKCWWPOICJCRTK-NEPJUHHUSA-N -1 0 313.398 -0.034 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@@H]1CCC2(COC2)O1 ZINC001571087655 1025822183 /nfs/dbraw/zinc/82/21/83/1025822183.db2.gz ITQWAOQWTHSQRI-UWVGGRQHSA-N -1 0 305.352 -0.882 20 0 DBADRM Cn1cncc1CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000401703309 973377732 /nfs/dbraw/zinc/37/77/32/973377732.db2.gz BJPYLQQLFLEGGZ-UHFFFAOYSA-N -1 0 313.339 -0.778 20 0 DBADRM CO[C@]1(CO)CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000401742577 973381785 /nfs/dbraw/zinc/38/17/85/973381785.db2.gz SMEUOXLBQLZTAD-LLVKDONJSA-N -1 0 310.372 -0.889 20 0 DBADRM CO[C@]1(CO)CCCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000401751435 973383024 /nfs/dbraw/zinc/38/30/24/973383024.db2.gz XZNWBIYONZANAO-LLVKDONJSA-N -1 0 319.339 -0.730 20 0 DBADRM CS(=O)(=O)c1ccc(N2C[C@@H](O)C[C@H](C(=O)[O-])C2)nc1 ZINC000401774445 973384123 /nfs/dbraw/zinc/38/41/23/973384123.db2.gz BXTZKNOISUNBSI-IUCAKERBSA-N -1 0 300.336 -0.243 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCCCN2CCOCC2)C1 ZINC000401787732 973392346 /nfs/dbraw/zinc/39/23/46/973392346.db2.gz LTJBSYZHERIXTP-NEPJUHHUSA-N -1 0 315.370 -0.814 20 0 DBADRM NC(=O)c1ccccc1NC(=O)CN1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401807116 973402437 /nfs/dbraw/zinc/40/24/37/973402437.db2.gz ARYQYRQSUHNMDA-VHSXEESVSA-N -1 0 321.333 -0.509 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401819806 973418578 /nfs/dbraw/zinc/41/85/78/973418578.db2.gz JVDXVMPMWGTDMH-ZJUUUORDSA-N -1 0 301.343 -0.668 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)nc2n1 ZINC000401826941 973426157 /nfs/dbraw/zinc/42/61/57/973426157.db2.gz BTWVSNJZTBVIBP-ZJUUUORDSA-N -1 0 319.321 -0.351 20 0 DBADRM CC(C)(CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)S(C)(=O)=O ZINC000401828195 973426273 /nfs/dbraw/zinc/42/62/73/973426273.db2.gz MPDMEPNHQIQMIW-BDAKNGLRSA-N -1 0 322.383 -0.713 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)nc2n1 ZINC000401826936 973426317 /nfs/dbraw/zinc/42/63/17/973426317.db2.gz BTWVSNJZTBVIBP-VHSXEESVSA-N -1 0 319.321 -0.351 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)nc2n1 ZINC000401826929 973426404 /nfs/dbraw/zinc/42/64/04/973426404.db2.gz BTWVSNJZTBVIBP-UWVGGRQHSA-N -1 0 319.321 -0.351 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(S(=O)(=O)c2cccnc2F)C1 ZINC000401835757 973434095 /nfs/dbraw/zinc/43/40/95/973434095.db2.gz PXIBFVMJYRVOJC-SFYZADRCSA-N -1 0 304.299 -0.323 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000401844235 973443339 /nfs/dbraw/zinc/44/33/39/973443339.db2.gz VZSSYGIDQIJDAP-OPRDCNLKSA-N -1 0 320.367 -0.959 20 0 DBADRM NC(=O)c1ccc(N2C[C@H](C(=O)[O-])C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000401899383 973504632 /nfs/dbraw/zinc/50/46/32/973504632.db2.gz DNKPFGDULXCISE-BDAKNGLRSA-N -1 0 309.278 -0.035 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000401906793 973516639 /nfs/dbraw/zinc/51/66/39/973516639.db2.gz UKDZSFQWOGRZCO-ZRUFSTJUSA-N -1 0 322.383 -0.892 20 0 DBADRM COC[C@]1(C(=O)[O-])CC[N@H+](CN2C[C@@H](C(=O)OC)OC2=O)C1 ZINC001604541950 973528692 /nfs/dbraw/zinc/52/86/92/973528692.db2.gz NAUTWTCEQPOXML-ZANVPECISA-N -1 0 316.310 -0.639 20 0 DBADRM Cc1nnc(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)s1 ZINC000401925005 973539069 /nfs/dbraw/zinc/53/90/69/973539069.db2.gz QMXPTULVIBKVKW-HTQZYQBOSA-N -1 0 300.340 -0.176 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401962847 973567762 /nfs/dbraw/zinc/56/77/62/973567762.db2.gz YNKLLRZZXRFYJH-VGMNWLOBSA-N -1 0 319.383 -0.930 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000401964643 973569398 /nfs/dbraw/zinc/56/93/98/973569398.db2.gz COTGOFFOGGTVNJ-JHJVBQTASA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1 ZINC000401966958 973571867 /nfs/dbraw/zinc/57/18/67/973571867.db2.gz GFYVPNBXEUUGRW-MXWKQRLJSA-N -1 0 306.384 -0.270 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1 ZINC000401966957 973572433 /nfs/dbraw/zinc/57/24/33/973572433.db2.gz GFYVPNBXEUUGRW-GMTAPVOTSA-N -1 0 306.384 -0.270 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401968380 973573879 /nfs/dbraw/zinc/57/38/79/973573879.db2.gz IFVUDEXPVZLBEN-BQBZGAKWSA-N -1 0 323.758 -0.470 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2cncc(F)c2)C1 ZINC000401971098 973577778 /nfs/dbraw/zinc/57/77/78/973577778.db2.gz MLMILOUARQMTPB-VXNVDRBHSA-N -1 0 304.299 -0.323 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401975250 973583212 /nfs/dbraw/zinc/58/32/12/973583212.db2.gz SLZBJZCKCJACIY-IUCAKERBSA-N -1 0 309.340 -0.963 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)C1 ZINC000402579087 973626617 /nfs/dbraw/zinc/62/66/17/973626617.db2.gz RUHQLKMIHPEBJQ-CMPLNLGQSA-N -1 0 308.338 -0.080 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)C1 ZINC000402579091 973626768 /nfs/dbraw/zinc/62/67/68/973626768.db2.gz RUHQLKMIHPEBJQ-ZYHUDNBSSA-N -1 0 308.338 -0.080 20 0 DBADRM CC[C@@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)[C@H](C)O ZINC001573811257 1026638542 /nfs/dbraw/zinc/63/85/42/1026638542.db2.gz WRMVDJYWHJGTFB-DTWKUNHWSA-N -1 0 307.368 -0.458 20 0 DBADRM CCC[C@H](CNC(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O)C(=O)[O-] ZINC001573729788 1026624614 /nfs/dbraw/zinc/62/46/14/1026624614.db2.gz YYBLCKCWJZGSRR-IEBDPFPHSA-N -1 0 300.355 -0.121 20 0 DBADRM CCN(CCC(=O)[O-])S(=O)(=O)CCn1nc(C)oc1=O ZINC001596315926 1017126923 /nfs/dbraw/zinc/12/69/23/1017126923.db2.gz DYSIJVZFPZAFNQ-UHFFFAOYSA-N -1 0 307.328 -0.729 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCc2ccns2)cn1 ZINC000404777044 973748810 /nfs/dbraw/zinc/74/88/10/973748810.db2.gz DNMSVKSCBPEYJF-UHFFFAOYSA-N -1 0 302.337 -0.097 20 0 DBADRM Cc1nc(NC(=O)C2(S(N)(=O)=O)CC2)sc1C(=O)[O-] ZINC001574187072 1026719060 /nfs/dbraw/zinc/71/90/60/1026719060.db2.gz ABKMGAPISYVAHQ-UHFFFAOYSA-N -1 0 305.337 -0.091 20 0 DBADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000405238331 973796395 /nfs/dbraw/zinc/79/63/95/973796395.db2.gz ZYTRITSNHOTVOQ-AXTSPUMRSA-N -1 0 309.322 -0.456 20 0 DBADRM CC(C)C1(C(=O)N[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001526820305 1014143268 /nfs/dbraw/zinc/14/32/68/1014143268.db2.gz AJCZWLVBKUZNPE-MRVPVSSYSA-N -1 0 323.353 -0.047 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])c1=O ZINC000405372945 973855053 /nfs/dbraw/zinc/85/50/53/973855053.db2.gz KKAUATMMTSYPLB-VHSXEESVSA-N -1 0 309.322 -0.693 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC000405409245 973871361 /nfs/dbraw/zinc/87/13/61/973871361.db2.gz ZBKLIGFUIFKPKV-DTWKUNHWSA-N -1 0 307.372 -0.522 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC000417472390 973954482 /nfs/dbraw/zinc/95/44/82/973954482.db2.gz IPSQYVJBQWMTTL-JGVFFNPUSA-N -1 0 311.381 -0.373 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1ncnn1CC ZINC001596333392 1017128006 /nfs/dbraw/zinc/12/80/06/1017128006.db2.gz QYYLMFBENNIAQZ-QWRGUYRKSA-N -1 0 309.370 -0.043 20 0 DBADRM CC(C)OC[C@H](CO)N(C)CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001591718925 975632257 /nfs/dbraw/zinc/63/22/57/975632257.db2.gz WSTHHIUWHLSCGJ-AAEUAGOBSA-N -1 0 304.387 -0.071 20 0 DBADRM CC(C)OCC[C@H](O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC001591720269 975650833 /nfs/dbraw/zinc/65/08/33/975650833.db2.gz ZBZPMWBIXWUHJU-JTQLQIEISA-N -1 0 324.337 -0.146 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2cnccn2)c1[O-] ZINC001528040791 1014343006 /nfs/dbraw/zinc/34/30/06/1014343006.db2.gz CBYZUEJFIUQGSW-UHFFFAOYSA-N -1 0 304.310 -0.284 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2[C@@H](C(=O)[O-])C[C@@H]3OCC[C@@H]32)C1 ZINC000926596823 977446033 /nfs/dbraw/zinc/44/60/33/977446033.db2.gz OZXZQBARBSRCCT-MMWGEVLESA-N -1 0 304.368 -0.111 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCOC[C@@H]1CC1CC1 ZINC000927948578 977447102 /nfs/dbraw/zinc/44/71/02/977447102.db2.gz REQSIIJILVTYFU-TUAOUCFPSA-N -1 0 310.350 -0.007 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)CC1(C)CC1 ZINC001528453877 1014414902 /nfs/dbraw/zinc/41/49/02/1014414902.db2.gz FDCVMCJZMMPOFJ-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCNC1=O ZINC001052622631 977779947 /nfs/dbraw/zinc/77/99/47/977779947.db2.gz VZCWUASAYHNRTH-NXEZZACHSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001052642433 977788806 /nfs/dbraw/zinc/78/88/06/977788806.db2.gz YQIIORVWTFSACU-MEWQQHAOSA-N -1 0 321.381 -0.127 20 0 DBADRM CCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001053074381 977848822 /nfs/dbraw/zinc/84/88/22/977848822.db2.gz NZLOHJCIENLHCG-HTQZYQBOSA-N -1 0 309.326 -0.483 20 0 DBADRM CCCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001053075314 977849544 /nfs/dbraw/zinc/84/95/44/977849544.db2.gz SQRAECUPEOVZCI-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM CCC(=O)NC[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001053126997 977856383 /nfs/dbraw/zinc/85/63/83/977856383.db2.gz NCTJIQKUQFMFJR-ZJUUUORDSA-N -1 0 322.365 -0.280 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053138683 977859419 /nfs/dbraw/zinc/85/94/19/977859419.db2.gz OPWNRYQMMZEEDL-UWVGGRQHSA-N -1 0 307.354 -0.421 20 0 DBADRM O=C(c1ccoc1)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053158412 977864526 /nfs/dbraw/zinc/86/45/26/977864526.db2.gz KRAFRDIESKQFND-UHFFFAOYSA-N -1 0 319.321 -0.170 20 0 DBADRM O=C(c1ccc[nH]1)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053155774 977864697 /nfs/dbraw/zinc/86/46/97/977864697.db2.gz OMBVCHJXSRMDDD-UHFFFAOYSA-N -1 0 318.337 -0.435 20 0 DBADRM CCN(OC)C(=O)CN1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001596380685 1017133844 /nfs/dbraw/zinc/13/38/44/1017133844.db2.gz UZPIOPSOGMKAPU-IUCAKERBSA-N -1 0 313.310 -0.476 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCOC3(CN(C[C@@H](C)O)C3)C2)c1[O-] ZINC001053224948 977884618 /nfs/dbraw/zinc/88/46/18/977884618.db2.gz CZJXKIDWDPIODV-SECBINFHSA-N -1 0 310.354 -0.669 20 0 DBADRM Cc1ncc(C(=O)NCCN(C)C(=O)c2n[nH]c(C)c2[O-])n1C ZINC001528550380 1014437092 /nfs/dbraw/zinc/43/70/92/1014437092.db2.gz ZHZGSUQCSSTXHW-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOC2(CN(CC3CC3)C2)C1 ZINC001053326906 977928371 /nfs/dbraw/zinc/92/83/71/977928371.db2.gz OGDLINMOZAHBPU-UHFFFAOYSA-N -1 0 321.337 -0.780 20 0 DBADRM CCCN1CC2(C1)CN(C(=O)c1cnc([O-])n(C)c1=O)CCO2 ZINC001053370001 977938277 /nfs/dbraw/zinc/93/82/77/977938277.db2.gz QMQJEQLJUQNIGW-UHFFFAOYSA-N -1 0 322.365 -0.577 20 0 DBADRM CC(C)N1CC2(C1)CN(C(=O)c1cnc([O-])n(C)c1=O)CCO2 ZINC001053370161 977938870 /nfs/dbraw/zinc/93/88/70/977938870.db2.gz XCOICHYKHNBDSN-UHFFFAOYSA-N -1 0 322.365 -0.579 20 0 DBADRM CC[C@@H](F)C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053375241 977943901 /nfs/dbraw/zinc/94/39/01/977943901.db2.gz BZYWORKTOUZYCL-SECBINFHSA-N -1 0 313.333 -0.328 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053412434 977952886 /nfs/dbraw/zinc/95/28/86/977952886.db2.gz VUGAOIKWRJIFHW-GHMZBOCLSA-N -1 0 321.381 -0.030 20 0 DBADRM O=C([C@H]1CC12CC2)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053446853 977961454 /nfs/dbraw/zinc/96/14/54/977961454.db2.gz IQVNHSMXYWSDRG-SNVBAGLBSA-N -1 0 319.365 -0.276 20 0 DBADRM CCN1CC2(C1)CN(C(=O)c1c[n-]n3c1nccc3=O)CCO2 ZINC001053461456 977964099 /nfs/dbraw/zinc/96/40/99/977964099.db2.gz RHBOAXSGYOGFBC-UHFFFAOYSA-N -1 0 317.349 -0.431 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCC3(CN(CCO)C3)O2)c1[O-] ZINC001053589822 978002909 /nfs/dbraw/zinc/00/29/09/978002909.db2.gz RQTWOTWXZVBLRK-SNVBAGLBSA-N -1 0 310.354 -0.621 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCC3(CN(C[C@H](C)O)C3)O2)c1[O-] ZINC001053589626 978003711 /nfs/dbraw/zinc/00/37/11/978003711.db2.gz MTTUMIBGWPDQCY-ONGXEEELSA-N -1 0 324.381 -0.232 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)C1CCC1 ZINC001053715173 978035756 /nfs/dbraw/zinc/03/57/56/978035756.db2.gz UEKQFRQLCDFKHE-JTQLQIEISA-N -1 0 307.354 -0.230 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1ccc[nH]1 ZINC001053738214 978044883 /nfs/dbraw/zinc/04/48/83/978044883.db2.gz GBFNZPHIGSCXID-SECBINFHSA-N -1 0 318.337 -0.388 20 0 DBADRM COCCN1CC2(C1)C[C@H](NC(=O)c1[nH]nc(C)c1[O-])CO2 ZINC001053774826 978066057 /nfs/dbraw/zinc/06/60/57/978066057.db2.gz KOQNYBYCKVKVED-JTQLQIEISA-N -1 0 310.354 -0.357 20 0 DBADRM O=C(N[C@@H]1COC2(CN(CC3CC3)C2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001053858696 978117678 /nfs/dbraw/zinc/11/76/78/978117678.db2.gz OVGZJTFMKCYUQU-VIFPVBQESA-N -1 0 321.337 -0.734 20 0 DBADRM CCCCN1CC2(C1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858571 978117695 /nfs/dbraw/zinc/11/76/95/978117695.db2.gz KXCSEUTZVXMUBH-SECBINFHSA-N -1 0 323.353 -0.344 20 0 DBADRM CC(C)N1CC2(C1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858445 978118702 /nfs/dbraw/zinc/11/87/02/978118702.db2.gz GXMCAEBRYNWVSQ-MRVPVSSYSA-N -1 0 309.326 -0.736 20 0 DBADRM CC(C)N1CC2(C1)C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)CO2 ZINC001053890247 978131573 /nfs/dbraw/zinc/13/15/73/978131573.db2.gz DTORLAHYCDVLEU-SNVBAGLBSA-N -1 0 322.365 -0.533 20 0 DBADRM COC(CN1CCN(CCCCS(=O)(=O)[O-])CC1)OC ZINC001207257208 978180128 /nfs/dbraw/zinc/18/01/28/978180128.db2.gz UWXIFPVVBPLFBW-UHFFFAOYSA-N -1 0 310.416 -0.109 20 0 DBADRM CCN(CCOCCO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001596345076 1017134385 /nfs/dbraw/zinc/13/43/85/1017134385.db2.gz BYPIDMJTTYKQNX-UWVGGRQHSA-N -1 0 319.358 -0.995 20 0 DBADRM CCN(CCNC(=O)[C@H]1CCC(=O)N1)C(=O)c1n[nH]c(C)c1[O-] ZINC001528781322 1014473330 /nfs/dbraw/zinc/47/33/30/1014473330.db2.gz HYVXQIIHKCRUEK-SECBINFHSA-N -1 0 323.353 -0.719 20 0 DBADRM COCC1(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)CC1 ZINC001488644833 1014495459 /nfs/dbraw/zinc/49/54/59/1014495459.db2.gz ZFAQQMMESMUDNE-JTQLQIEISA-N -1 0 309.370 -0.030 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1CC(C)C1 ZINC001528975130 1014499410 /nfs/dbraw/zinc/49/94/10/1014499410.db2.gz FZTQMEKBHYZCND-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCCC(N)=O ZINC001211458544 978572763 /nfs/dbraw/zinc/57/27/63/978572763.db2.gz KRFWMWBJIHVTMJ-RKDXNWHRSA-N -1 0 310.358 -0.898 20 0 DBADRM Cc1cc2n[nH]cc2cc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC001211480880 978572779 /nfs/dbraw/zinc/57/27/79/978572779.db2.gz ZSHZEVOWVFVZSX-UHFFFAOYSA-N -1 0 323.334 -0.041 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCSC ZINC001211817177 978584212 /nfs/dbraw/zinc/58/42/12/978584212.db2.gz NLPWJWZACYEZNW-RKDXNWHRSA-N -1 0 315.399 -0.421 20 0 DBADRM CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001211913933 978594663 /nfs/dbraw/zinc/59/46/63/978594663.db2.gz CPDPVIYKWWNXQC-OPRDCNLKSA-N -1 0 313.358 -0.749 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001212384692 978652564 /nfs/dbraw/zinc/65/25/64/978652564.db2.gz WVQITZISQZBDGX-MNOVXSKESA-N -1 0 306.384 -0.069 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCC(F)F ZINC001213177665 978661494 /nfs/dbraw/zinc/66/14/94/978661494.db2.gz VKEYSBDPRZPCLQ-HTQZYQBOSA-N -1 0 319.312 -0.129 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H](F)C(C)C ZINC001213300398 978668555 /nfs/dbraw/zinc/66/85/55/978668555.db2.gz SCZABMGKUAAAGC-FXPVBKGRSA-N -1 0 315.349 -0.180 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC001213912591 978698647 /nfs/dbraw/zinc/69/86/47/978698647.db2.gz HNMFTHZSNOLLAR-UHFFFAOYSA-N -1 0 316.261 -0.605 20 0 DBADRM Nc1cccnc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001218223249 978822302 /nfs/dbraw/zinc/82/23/02/978822302.db2.gz FCSSSOXSBCZOLD-SNVBAGLBSA-N -1 0 317.367 -0.369 20 0 DBADRM [NH3+][C@@H](Cc1nnn[n-]1)C(=O)Nc1ccc(Cn2ccnc2)cc1 ZINC001218849486 978855130 /nfs/dbraw/zinc/85/51/30/978855130.db2.gz ZWMOWWNOZIJLCE-LBPRGKRZSA-N -1 0 312.337 -0.047 20 0 DBADRM CC(C)[C@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219353499 978921795 /nfs/dbraw/zinc/92/17/95/978921795.db2.gz CWUUZWJYVXGSIG-MXWKQRLJSA-N -1 0 311.386 -0.146 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1=O ZINC001596401874 1017136498 /nfs/dbraw/zinc/13/64/98/1017136498.db2.gz HBVQHWMOOVVWLH-AEJSXWLSSA-N -1 0 304.368 -0.220 20 0 DBADRM CC(C)=C(C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220160062 979119183 /nfs/dbraw/zinc/11/91/83/979119183.db2.gz USPNITGVKMOCFU-MNOVXSKESA-N -1 0 309.370 -0.082 20 0 DBADRM CCN1C[C@@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1=O ZINC001596398100 1017136889 /nfs/dbraw/zinc/13/68/89/1017136889.db2.gz SIMADLBNUYONQI-MRVPVSSYSA-N -1 0 315.351 -0.140 20 0 DBADRM CCCC(C)(C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220254309 979148863 /nfs/dbraw/zinc/14/88/63/979148863.db2.gz NXWVBHFHQASWCV-ZJUUUORDSA-N -1 0 311.386 -0.002 20 0 DBADRM CC[C@H](C)CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220595789 979245054 /nfs/dbraw/zinc/24/50/54/979245054.db2.gz GBSUQIGKBREGTL-AXFHLTTASA-N -1 0 311.386 -0.002 20 0 DBADRM CC[C@@H](C)CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220595790 979245228 /nfs/dbraw/zinc/24/52/28/979245228.db2.gz GBSUQIGKBREGTL-MXWKQRLJSA-N -1 0 311.386 -0.002 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001222205889 979501149 /nfs/dbraw/zinc/50/11/49/979501149.db2.gz YRNMQURZUORIKD-MNOVXSKESA-N -1 0 322.369 -0.931 20 0 DBADRM CCOCC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001222225607 979501536 /nfs/dbraw/zinc/50/15/36/979501536.db2.gz ZLXKSEPEXGSUNT-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1nnc(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])o1 ZINC001222244921 979502653 /nfs/dbraw/zinc/50/26/53/979502653.db2.gz OALSPEZRDADYKG-SNVBAGLBSA-N -1 0 321.355 -0.517 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC001222945107 979533471 /nfs/dbraw/zinc/53/34/71/979533471.db2.gz WTERCQBTHXCEBC-UHFFFAOYSA-N -1 0 302.331 -0.418 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCc1cccnn1 ZINC001222997061 979536535 /nfs/dbraw/zinc/53/65/35/979536535.db2.gz QIIRQGJWTYVLNN-GFCCVEGCSA-N -1 0 317.367 -0.418 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OC[C@@H]1CCOC1 ZINC001224479391 979572354 /nfs/dbraw/zinc/57/23/54/979572354.db2.gz HJVDULHBVJMJLH-VXGBXAGGSA-N -1 0 309.384 -0.372 20 0 DBADRM O=[P@@]([O-])(O)CCOC[C@H]1COCCOCCOCCO1 ZINC001224603232 979576151 /nfs/dbraw/zinc/57/61/51/979576151.db2.gz WNKVCUBHNRCYBH-LLVKDONJSA-N -1 0 314.271 -0.371 20 0 DBADRM O=[P@@]([O-])(O)CCOC[C@@H]1COCCOCCOCCO1 ZINC001224603233 979577030 /nfs/dbraw/zinc/57/70/30/979577030.db2.gz WNKVCUBHNRCYBH-NSHDSACASA-N -1 0 314.271 -0.371 20 0 DBADRM C[N@@H+]1CCCC[C@@H]1COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224707782 979580874 /nfs/dbraw/zinc/58/08/74/979580874.db2.gz SQIMKFZHKJDOER-WCABBAIRSA-N -1 0 303.311 -0.450 20 0 DBADRM CS(=O)(=O)N1CCC(COC(=O)[C@H](O)CCC(=O)[O-])CC1 ZINC001225045365 979593006 /nfs/dbraw/zinc/59/30/06/979593006.db2.gz VQQKCKWTNMFSSU-SNVBAGLBSA-N -1 0 323.367 -0.573 20 0 DBADRM COC(=O)CN1C[C@@H](Oc2nc(Cl)cc(=O)[n-]2)CC1=O ZINC001225564131 979599153 /nfs/dbraw/zinc/59/91/53/979599153.db2.gz YISRSDNMBPCCFT-LURJTMIESA-N -1 0 301.686 -0.012 20 0 DBADRM CC(=O)Nc1nc2[nH]cnc2c(OC(=O)[C@H](O)CC(=O)[O-])n1 ZINC001225829820 979608312 /nfs/dbraw/zinc/60/83/12/979608312.db2.gz OAPJLHOUMUBIRW-RXMQYKEDSA-N -1 0 309.238 -0.948 20 0 DBADRM CC(C)OC(=O)N1CCC(Oc2c([O-])c(=O)c(=O)c2=O)CC1 ZINC001225832028 979608356 /nfs/dbraw/zinc/60/83/56/979608356.db2.gz BUOAHHHJUPJTOR-UHFFFAOYSA-N -1 0 311.290 -0.263 20 0 DBADRM CCOC(=O)c1cnc(=O)[nH]c1OC(=O)[C@H](O)CCC(=O)[O-] ZINC001225898987 979612093 /nfs/dbraw/zinc/61/20/93/979612093.db2.gz GZEBAKIYECJTAS-SSDOTTSWSA-N -1 0 314.250 -0.510 20 0 DBADRM CS(=O)(=O)c1ccc(OC(=O)[C@H](O)CC(=O)[O-])c(F)c1 ZINC001226082414 979618398 /nfs/dbraw/zinc/61/83/98/979618398.db2.gz VIZIKJNMYIZGEK-MRVPVSSYSA-N -1 0 306.267 -0.030 20 0 DBADRM CCOC(=O)c1cnn2ccc(OC(=O)[C@@H](O)CC(=O)[O-])nc12 ZINC001226354069 979633566 /nfs/dbraw/zinc/63/35/66/979633566.db2.gz LSFIATONGQIETC-QMMMGPOBSA-N -1 0 323.261 -0.353 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1ncncc1F ZINC001226707080 979643241 /nfs/dbraw/zinc/64/32/41/979643241.db2.gz KDSFKWIGFCFMBG-SECBINFHSA-N -1 0 321.330 -0.417 20 0 DBADRM O=c1occcc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001229088865 979675391 /nfs/dbraw/zinc/67/53/91/979675391.db2.gz VJUAOUABQSPJIE-JTQLQIEISA-N -1 0 319.335 -0.393 20 0 DBADRM CC[C@@H](CNC(=O)c1cnnn1C)Nc1ccnc(C(=O)[O-])n1 ZINC001595163020 979692144 /nfs/dbraw/zinc/69/21/44/979692144.db2.gz CZJCGGAKSXBAMW-QMMMGPOBSA-N -1 0 319.325 -0.654 20 0 DBADRM CC[C@@H](CNC(=O)c1nnc[n-]1)Nc1cc[nH+]c(C(=O)[O-])n1 ZINC001595163802 979702573 /nfs/dbraw/zinc/70/25/73/979702573.db2.gz XIGVSAUZBWGVKA-ZETCQYMHSA-N -1 0 305.298 -0.665 20 0 DBADRM O=C([O-])/C=C\CNS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001326460855 979736778 /nfs/dbraw/zinc/73/67/78/979736778.db2.gz BAYLFZODXDBVPD-RZXPJHQTSA-N -1 0 311.381 -0.629 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC001326703565 979757619 /nfs/dbraw/zinc/75/76/19/979757619.db2.gz XRZNPFKYUNNQBR-JTQLQIEISA-N -1 0 324.337 -0.170 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@@H](OC)C1(C)C ZINC001326713544 979759405 /nfs/dbraw/zinc/75/94/05/979759405.db2.gz XKMKDLIMKGEGOZ-RKDXNWHRSA-N -1 0 301.343 -0.900 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](C)OC[C@@H]1CC ZINC001326746785 979763165 /nfs/dbraw/zinc/76/31/65/979763165.db2.gz PREGGGSPQQXMKY-UWVGGRQHSA-N -1 0 301.343 -0.804 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCOC[C@H]1C1CCC1 ZINC001326748746 979763202 /nfs/dbraw/zinc/76/32/02/979763202.db2.gz AYYLXFIRRFXPQR-NSHDSACASA-N -1 0 313.354 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC001326762550 979767153 /nfs/dbraw/zinc/76/71/53/979767153.db2.gz PGKSUWGFXRGADA-VIFPVBQESA-N -1 0 307.372 -0.822 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)c1ncnn1C)C(=O)[O-] ZINC001326843944 979772314 /nfs/dbraw/zinc/77/23/14/979772314.db2.gz DAECOHSTBRRMMI-IUCAKERBSA-N -1 0 311.342 -0.535 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC001326969708 979785751 /nfs/dbraw/zinc/78/57/51/979785751.db2.gz BYGAWKCFIIYSPC-LBPRGKRZSA-N -1 0 321.381 -0.174 20 0 DBADRM Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)C(=O)NCCC(=O)[O-] ZINC001329722848 979808072 /nfs/dbraw/zinc/80/80/72/979808072.db2.gz AURWRZBVDLKNFI-JTQLQIEISA-N -1 0 321.333 -0.530 20 0 DBADRM COC/C=C\C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001330610137 979827302 /nfs/dbraw/zinc/82/73/02/979827302.db2.gz BXOJOUGWYDYTGO-ZMWSMAPVSA-N -1 0 315.351 -0.148 20 0 DBADRM CC1(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC(F)(F)C1 ZINC001331536140 979886288 /nfs/dbraw/zinc/88/62/88/979886288.db2.gz OGBZHBZKJZTRKY-QMMMGPOBSA-N -1 0 320.292 -0.150 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001343015294 979916283 /nfs/dbraw/zinc/91/62/83/979916283.db2.gz DXROODIJMDMNKD-VIFPVBQESA-N -1 0 301.343 -0.804 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001343052066 979917472 /nfs/dbraw/zinc/91/74/72/979917472.db2.gz OWWLZWWHCRPAGE-GMTAPVOTSA-N -1 0 313.354 -0.898 20 0 DBADRM O=C([N-]OC1CCCCC1)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC001343313467 979935713 /nfs/dbraw/zinc/93/57/13/979935713.db2.gz YJWKHGCATURFKQ-UHFFFAOYSA-N -1 0 323.353 -0.364 20 0 DBADRM O=C(CCc1nc2cccnc2[nH]1)NCCc1nc(=O)o[n-]1 ZINC001344089446 979976238 /nfs/dbraw/zinc/97/62/38/979976238.db2.gz GMPMCFVLDXJOJO-UHFFFAOYSA-N -1 0 302.294 -0.074 20 0 DBADRM Cc1cc(C(=O)N(C)CCOCCO)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001344629894 980003675 /nfs/dbraw/zinc/00/36/75/980003675.db2.gz RDLOEBDBCZZICH-UHFFFAOYSA-N -1 0 322.321 -0.175 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC001344717027 980004974 /nfs/dbraw/zinc/00/49/74/980004974.db2.gz FSRQNNIJWOUKHI-ZETCQYMHSA-N -1 0 315.355 -0.595 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC001344717026 980005492 /nfs/dbraw/zinc/00/54/92/980005492.db2.gz FSRQNNIJWOUKHI-SSDOTTSWSA-N -1 0 315.355 -0.595 20 0 DBADRM COc1ccccc1CO[N-]C(=O)C(=O)NCC(=O)N(C)C ZINC001345078918 980029041 /nfs/dbraw/zinc/02/90/41/980029041.db2.gz ILABHRBIOIPEJD-UHFFFAOYSA-N -1 0 309.322 -0.553 20 0 DBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H](C)C(=O)[O-])CC1 ZINC001345932179 980101104 /nfs/dbraw/zinc/10/11/04/980101104.db2.gz UDSLACXUUUQVGE-NWDGAFQWSA-N -1 0 311.382 -0.138 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001345932175 980101927 /nfs/dbraw/zinc/10/19/27/980101927.db2.gz UDSLACXUUUQVGE-NEPJUHHUSA-N -1 0 311.382 -0.138 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001345942556 980102045 /nfs/dbraw/zinc/10/20/45/980102045.db2.gz DLERVENGCDAXEO-UHFFFAOYSA-N -1 0 313.354 -0.706 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCc1nccn1C(F)F ZINC001345991303 980107586 /nfs/dbraw/zinc/10/75/86/980107586.db2.gz SVGQSOZADVZWMX-UHFFFAOYSA-N -1 0 304.253 -0.125 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCC[C@H](SC)C1 ZINC001346370596 980136357 /nfs/dbraw/zinc/13/63/57/980136357.db2.gz NCGWOSHNTVMQSJ-ZJUUUORDSA-N -1 0 317.411 -0.039 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001346370692 980136617 /nfs/dbraw/zinc/13/66/17/980136617.db2.gz NUUZETNKFMDRKW-ILWJIGKKSA-N -1 0 301.343 -0.758 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](c2ccco2)C1 ZINC001346415971 980140999 /nfs/dbraw/zinc/14/09/99/980140999.db2.gz RXCCEZGHRAQXQU-SNVBAGLBSA-N -1 0 309.322 -0.221 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H]1c1cccn1C ZINC001346414461 980142015 /nfs/dbraw/zinc/14/20/15/980142015.db2.gz ICLLLMSUQBACAL-LBPRGKRZSA-N -1 0 322.365 -0.128 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1c1nncn1C)C(=O)[O-] ZINC001346513941 980146692 /nfs/dbraw/zinc/14/66/92/980146692.db2.gz FJHLNCSJAIPINH-DTWKUNHWSA-N -1 0 309.326 -0.685 20 0 DBADRM C[C@@H](NC(=O)CN1C(=O)CNC1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001346492729 980147098 /nfs/dbraw/zinc/14/70/98/980147098.db2.gz LYRVHFFDTLTCLW-HRDYMLBCSA-N -1 0 311.338 -0.210 20 0 DBADRM COc1ccc(NC(=O)C(=O)NN2CC(=O)NC2=O)c(C)c1 ZINC001346543497 980150796 /nfs/dbraw/zinc/15/07/96/980150796.db2.gz HEFCJKTVVGURNB-UHFFFAOYSA-N -1 0 306.278 -0.475 20 0 DBADRM CC[C@@H](NC(=O)C(=O)[N-]OCC(C)C)C(=O)N1CCOCC1 ZINC001346811476 980171722 /nfs/dbraw/zinc/17/17/22/980171722.db2.gz KGJIKQXDYSSBGA-LLVKDONJSA-N -1 0 315.370 -0.556 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N(CCO)C2CC2)n1 ZINC001347045745 980190559 /nfs/dbraw/zinc/19/05/59/980190559.db2.gz GOKNNVGSQLABND-UHFFFAOYSA-N -1 0 324.337 -0.375 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCC(=O)N2CCCC2)CCC1 ZINC001347061570 980192585 /nfs/dbraw/zinc/19/25/85/980192585.db2.gz QRVFUMDTXRJMBI-UHFFFAOYSA-N -1 0 311.338 -0.904 20 0 DBADRM Cn1cc(C(=O)[N-]N2C(=O)N[C@@](C)(c3ccccc3)C2=O)nn1 ZINC001347141174 980200450 /nfs/dbraw/zinc/20/04/50/980200450.db2.gz WPCJSEOOSMIVRE-AWEZNQCLSA-N -1 0 314.305 -0.073 20 0 DBADRM CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[N-]OCC(N)=O ZINC001347485741 980226822 /nfs/dbraw/zinc/22/68/22/980226822.db2.gz UBIHLTVNYUNXLJ-JTQLQIEISA-N -1 0 311.342 -0.984 20 0 DBADRM CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[N-]OCC(N)=O ZINC001347485749 980227182 /nfs/dbraw/zinc/22/71/82/980227182.db2.gz UBIHLTVNYUNXLJ-SNVBAGLBSA-N -1 0 311.342 -0.984 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](OC)C1CCCC1 ZINC001347653564 980238098 /nfs/dbraw/zinc/23/80/98/980238098.db2.gz ZXBHKXUUIZHPEH-LLVKDONJSA-N -1 0 315.370 -0.508 20 0 DBADRM COC(=O)Cn1ncc(NC(=O)C(=O)[N-]OCC2CC2)c1C ZINC001347679714 980242339 /nfs/dbraw/zinc/24/23/39/980242339.db2.gz IPVOKEYSMCCEDK-UHFFFAOYSA-N -1 0 310.310 -0.239 20 0 DBADRM Cn1ncc(CCCNC(=O)c2c[n-]n3c2nccc3=O)n1 ZINC001347738433 980246590 /nfs/dbraw/zinc/24/65/90/980246590.db2.gz LMMRTMMIDDFKHQ-UHFFFAOYSA-N -1 0 301.310 -0.486 20 0 DBADRM CC/C(C)=C\C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001348220247 980270683 /nfs/dbraw/zinc/27/06/83/980270683.db2.gz HQZKCLRCVHHJCI-HJWRWDBZSA-N -1 0 321.337 -0.077 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCCC(N)=O)cn1 ZINC001348272196 980274573 /nfs/dbraw/zinc/27/45/73/980274573.db2.gz UFEBBEYXRYCMNI-UHFFFAOYSA-N -1 0 314.367 -0.162 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2cn(C)nn2)CC[C@@H]1C(=O)[O-] ZINC001348306917 980277276 /nfs/dbraw/zinc/27/72/76/980277276.db2.gz ICHDHOZPLUAAIQ-SCZZXKLOSA-N -1 0 309.326 -1.000 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@@H](C)n2cccn2)c1[O-] ZINC001348522725 980315918 /nfs/dbraw/zinc/31/59/18/980315918.db2.gz WTOTZTMPZKNDHT-SECBINFHSA-N -1 0 306.326 -0.273 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@H](C)n2cccn2)c1[O-] ZINC001348522726 980316424 /nfs/dbraw/zinc/31/64/24/980316424.db2.gz WTOTZTMPZKNDHT-VIFPVBQESA-N -1 0 306.326 -0.273 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001595279587 980320898 /nfs/dbraw/zinc/32/08/98/980320898.db2.gz SONBQLXKXFEYBC-DCAQKATOSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@@H](SC)C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001348789069 980363070 /nfs/dbraw/zinc/36/30/70/980363070.db2.gz RUWSBHQFVWZUCQ-SSDOTTSWSA-N -1 0 317.371 -0.937 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)CC2OCCCO2)c1[O-] ZINC001348789434 980363561 /nfs/dbraw/zinc/36/35/61/980363561.db2.gz UPPOMUCHNSTQAG-UHFFFAOYSA-N -1 0 312.326 -0.577 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001349354252 980458603 /nfs/dbraw/zinc/45/86/03/980458603.db2.gz DRDBISRZZNGYMR-NNDZNEABSA-N -1 0 304.368 -0.761 20 0 DBADRM CC(C)C[C@H](C)C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001349431749 980468884 /nfs/dbraw/zinc/46/88/84/980468884.db2.gz ICJAQZKSLDPOCA-VIFPVBQESA-N -1 0 313.358 -0.396 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)C(C1CC1)C1CC1 ZINC001349432243 980469530 /nfs/dbraw/zinc/46/95/30/980469530.db2.gz UFPFMNJPLJLDBP-UHFFFAOYSA-N -1 0 323.353 -0.642 20 0 DBADRM COCCCNC(=O)C1CCN(C(=O)COCC(=O)[O-])CC1 ZINC001349487370 980477524 /nfs/dbraw/zinc/47/75/24/980477524.db2.gz RUINFRGWYMFNNX-UHFFFAOYSA-N -1 0 316.354 -0.521 20 0 DBADRM O=C(c1cnc2cccnn21)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001349544514 980483254 /nfs/dbraw/zinc/48/32/54/980483254.db2.gz GDLVUUQJEABCRX-VIFPVBQESA-N -1 0 300.282 -0.544 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(CS(C)(=O)=O)CC1 ZINC001349674787 980497021 /nfs/dbraw/zinc/49/70/21/980497021.db2.gz QDPVYIMGGBXMJC-UHFFFAOYSA-N -1 0 321.399 -0.480 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](OCC(C)C)C1 ZINC001349752132 980505101 /nfs/dbraw/zinc/50/51/01/980505101.db2.gz CQHLHJXJBUKOLH-NSHDSACASA-N -1 0 315.370 -0.556 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@H]1COC ZINC001349752105 980505254 /nfs/dbraw/zinc/50/52/54/980505254.db2.gz BUMNURMALJHZKQ-JTQLQIEISA-N -1 0 301.343 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@H]1CC[C@@H](SC)C1 ZINC001349753018 980505431 /nfs/dbraw/zinc/50/54/31/980505431.db2.gz JOIYEXVQNHALDA-VHSXEESVSA-N -1 0 317.411 -0.087 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001349936989 980525895 /nfs/dbraw/zinc/52/58/95/980525895.db2.gz GGDHPXHZHAMFNZ-SDDRHHMPSA-N -1 0 309.366 -0.434 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001349957996 980527160 /nfs/dbraw/zinc/52/71/60/980527160.db2.gz GOOKAMZADCBRPQ-KXNHARMFSA-N -1 0 310.350 -0.149 20 0 DBADRM CC[C@@H](O)[C@@H](C)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001595325897 980535143 /nfs/dbraw/zinc/53/51/43/980535143.db2.gz CWWGGDZJGKDCSV-VXGBXAGGSA-N -1 0 302.371 -0.361 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)NCCCC(=O)[O-])[C@@H]1CCOC1 ZINC001350331592 980560452 /nfs/dbraw/zinc/56/04/52/980560452.db2.gz LJDQMEMWVUHSPN-ZJUUUORDSA-N -1 0 302.327 -0.865 20 0 DBADRM O=C(CCCCN1CCOCC1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001350835864 980605597 /nfs/dbraw/zinc/60/55/97/980605597.db2.gz BGRPLZNJSHARKV-GFCCVEGCSA-N -1 0 324.385 -0.398 20 0 DBADRM CC(C)=CC(=O)NC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001350905576 980612453 /nfs/dbraw/zinc/61/24/53/980612453.db2.gz FDDNSVASJQMOLK-UHFFFAOYSA-N -1 0 323.353 -0.237 20 0 DBADRM Cc1cc(=O)n2nc(NC(=O)c3nnn(C(C)(C)C)n3)[n-]c2n1 ZINC001351265815 980638865 /nfs/dbraw/zinc/63/88/65/980638865.db2.gz IKKSHJDQIKHPJU-UHFFFAOYSA-N -1 0 317.313 -0.280 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC1(Cc2ccccc2)CC1 ZINC001351365610 980644801 /nfs/dbraw/zinc/64/48/01/980644801.db2.gz RSAKLDMWWBVCBW-UHFFFAOYSA-N -1 0 319.361 -0.081 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCN(C)C(=O)C2=COCCO2)c1[O-] ZINC001351384148 980646408 /nfs/dbraw/zinc/64/64/08/980646408.db2.gz CXPZRQLIGDMDLU-UHFFFAOYSA-N -1 0 324.337 -0.110 20 0 DBADRM COCCCn1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cn1 ZINC001351382593 980646833 /nfs/dbraw/zinc/64/68/33/980646833.db2.gz XSNXYBJHXZYHRQ-NSHDSACASA-N -1 0 321.341 -0.354 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]cn2)CC[C@H]1C(=O)[O-] ZINC001351686287 980681936 /nfs/dbraw/zinc/68/19/36/980681936.db2.gz WYVXBILPEOLRDS-GXSJLCMTSA-N -1 0 308.338 -0.063 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001352642098 980737012 /nfs/dbraw/zinc/73/70/12/980737012.db2.gz NVTIRWZSOGEHDT-JTQLQIEISA-N -1 0 312.374 -0.008 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCO[C@H](CCF)C1 ZINC001353139185 980782340 /nfs/dbraw/zinc/78/23/40/980782340.db2.gz PXXMVBYCDPGJPW-LLVKDONJSA-N -1 0 322.333 -0.126 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001354027452 980828467 /nfs/dbraw/zinc/82/84/67/980828467.db2.gz LLYYMGVBWDSNNX-UHFFFAOYSA-N -1 0 309.322 -0.342 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC001354611779 980861864 /nfs/dbraw/zinc/86/18/64/980861864.db2.gz WRUDJAURJPAGFB-ZDUSSCGKSA-N -1 0 319.361 -0.082 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC001354965674 980881072 /nfs/dbraw/zinc/88/10/72/980881072.db2.gz DAPOWOAOLOOUJM-CBLAIPOGSA-N -1 0 301.368 -0.677 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1[nH]ncc1I ZINC001355392451 980892286 /nfs/dbraw/zinc/89/22/86/980892286.db2.gz ATMIDCIZSLZIRB-UHFFFAOYSA-N -1 0 324.078 -0.578 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1CC=CC1 ZINC001356142064 980927993 /nfs/dbraw/zinc/92/79/93/980927993.db2.gz JJPMSLRNZDJRIX-UHFFFAOYSA-N -1 0 321.337 -0.173 20 0 DBADRM C=C/C(C)=C\CC(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001356780634 980983449 /nfs/dbraw/zinc/98/34/49/980983449.db2.gz FVYFIGKTVYMHLC-WTKPLQERSA-N -1 0 321.337 -0.461 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)/C=C\C1CC1 ZINC001356910312 981011767 /nfs/dbraw/zinc/01/17/67/981011767.db2.gz WIXWYXQWCVVBBT-OMMCCPJFSA-N -1 0 323.353 -0.334 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCCO[C@@H]1CCOC1 ZINC001357183865 981039547 /nfs/dbraw/zinc/03/95/47/981039547.db2.gz OMTQTQQBFDJLEI-LLVKDONJSA-N -1 0 304.343 -0.075 20 0 DBADRM CC(=O)N(C)CC(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001357593748 981072408 /nfs/dbraw/zinc/07/24/08/981072408.db2.gz MTCCAYRXDCWDSF-PLNGDYQASA-N -1 0 323.353 -0.696 20 0 DBADRM CC[C@@H](F)C(=O)NC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001357990538 981104949 /nfs/dbraw/zinc/10/49/49/981104949.db2.gz XTWMRMZFQIIYTL-MPJRPATESA-N -1 0 315.305 -0.774 20 0 DBADRM CC/C(C)=C/C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001358604025 981148967 /nfs/dbraw/zinc/14/89/67/981148967.db2.gz OQXMNBJRURMRGR-BNICOGTQSA-N -1 0 321.337 -0.030 20 0 DBADRM O=C(C=C1CCC1)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001358656349 981164621 /nfs/dbraw/zinc/16/46/21/981164621.db2.gz YDLRYSIYWILQLZ-UHFFFAOYSA-N -1 0 319.321 -0.228 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC1CC2(C1)OCCO2 ZINC001361619971 981276858 /nfs/dbraw/zinc/27/68/58/981276858.db2.gz TYWGUTSPRSLCRI-UHFFFAOYSA-N -1 0 319.321 -0.660 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1cccn(CC(C)C)c1=O ZINC001361669536 981293232 /nfs/dbraw/zinc/29/32/32/981293232.db2.gz WIRZIJMCWQHORU-UHFFFAOYSA-N -1 0 320.353 -0.189 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1ccc(NC(C)=O)cn1 ZINC001361669893 981293981 /nfs/dbraw/zinc/29/39/81/981293981.db2.gz YLKAXARLONFBPY-UHFFFAOYSA-N -1 0 305.298 -0.653 20 0 DBADRM O=C(CCc1nnn[n-]1)NCC(=O)N1CCc2ccccc2C1 ZINC001361718899 981305611 /nfs/dbraw/zinc/30/56/11/981305611.db2.gz VADPQJZGGVVEGM-UHFFFAOYSA-N -1 0 314.349 -0.167 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CSC[C@H]1C(=O)NCC1CC1 ZINC001361749871 981312013 /nfs/dbraw/zinc/31/20/13/981312013.db2.gz ACRYCSHRIKNASA-JTQLQIEISA-N -1 0 324.410 -0.050 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1CCC2(C1)OCCO2 ZINC001361780404 981320548 /nfs/dbraw/zinc/32/05/48/981320548.db2.gz WBCNXFQOJKRKEY-VIFPVBQESA-N -1 0 319.321 -0.517 20 0 DBADRM CN(C)C(=O)c1cccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)c1 ZINC001361805109 981329280 /nfs/dbraw/zinc/32/92/80/981329280.db2.gz FKDDKPZIOQYVTB-UHFFFAOYSA-N -1 0 317.305 -0.085 20 0 DBADRM Cc1noc([C@H]2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001361831850 981336845 /nfs/dbraw/zinc/33/68/45/981336845.db2.gz ADYXRBZXSSVGIN-QMMMGPOBSA-N -1 0 308.298 -0.213 20 0 DBADRM COC(=O)[C@H]1CC12CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC001361873986 981346821 /nfs/dbraw/zinc/34/68/21/981346821.db2.gz XNOGRYJUMABQMO-SSDOTTSWSA-N -1 0 308.294 -0.302 20 0 DBADRM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001361881280 981349420 /nfs/dbraw/zinc/34/94/20/981349420.db2.gz UIYUEZMKBNYMIW-DTWKUNHWSA-N -1 0 313.358 -0.111 20 0 DBADRM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001361881332 981349527 /nfs/dbraw/zinc/34/95/27/981349527.db2.gz UIYUEZMKBNYMIW-RKDXNWHRSA-N -1 0 313.358 -0.111 20 0 DBADRM CN(Cc1nnc2n1CCCCC2)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001361893294 981351751 /nfs/dbraw/zinc/35/17/51/981351751.db2.gz XAKMBMCDHIOOCV-UHFFFAOYSA-N -1 0 319.325 -0.127 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2CCC(=O)O2)s1 ZINC001361893228 981351894 /nfs/dbraw/zinc/35/18/94/981351894.db2.gz JWTDLLDAAMLFCY-SCSAIBSYSA-N -1 0 306.325 -0.446 20 0 DBADRM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001361901192 981354210 /nfs/dbraw/zinc/35/42/10/981354210.db2.gz HQTUTRFXGRJWRY-SFYZADRCSA-N -1 0 318.355 -0.839 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)N(C)c2nnn[n-]2)n(C)c1 ZINC001361903632 981354361 /nfs/dbraw/zinc/35/43/61/981354361.db2.gz JBXYQLRKHSKQTC-UHFFFAOYSA-N -1 0 313.343 -0.935 20 0 DBADRM CN(C)S(=O)(=O)c1cccc(C(=O)N(C)c2nnn[n-]2)c1 ZINC001361906308 981355868 /nfs/dbraw/zinc/35/58/68/981355868.db2.gz OVUQSEAHVPBRSX-UHFFFAOYSA-N -1 0 310.339 -0.273 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)c1nc[n-]c(=O)c1Br ZINC001361911785 981356596 /nfs/dbraw/zinc/35/65/96/981356596.db2.gz KMKLPSVPOJYBBH-RXMQYKEDSA-N -1 0 315.127 -0.095 20 0 DBADRM CC[NH+]1CCN(CCNC(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001361930439 981364238 /nfs/dbraw/zinc/36/42/38/981364238.db2.gz XYDWDMBOALJQGQ-UHFFFAOYSA-N -1 0 314.415 -0.644 20 0 DBADRM COc1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n(C)n1 ZINC001361936183 981365028 /nfs/dbraw/zinc/36/50/28/981365028.db2.gz VZCKREQJAPJFDX-UHFFFAOYSA-N -1 0 303.282 -0.548 20 0 DBADRM C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccnn1C ZINC001361934156 981365214 /nfs/dbraw/zinc/36/52/14/981365214.db2.gz ATGSVCXRXYFWDI-MRVPVSSYSA-N -1 0 301.310 -0.318 20 0 DBADRM C[C@@]1(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCNC1=O ZINC001361932927 981365691 /nfs/dbraw/zinc/36/56/91/981365691.db2.gz BHNLMYKFDBNNJO-GFCCVEGCSA-N -1 0 312.351 -0.539 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCO[C@@H](C(N)=O)C2)cc1=O ZINC001361940590 981366230 /nfs/dbraw/zinc/36/62/30/981366230.db2.gz BNJZCOIKUOIOBZ-LLVKDONJSA-N -1 0 310.354 -0.912 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCn2cccn2)c1 ZINC001361962057 981373998 /nfs/dbraw/zinc/37/39/98/981373998.db2.gz XQJLAGCSDRTPBA-UHFFFAOYSA-N -1 0 310.335 -0.334 20 0 DBADRM COC(=O)CN(C(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1 ZINC001361977624 981376970 /nfs/dbraw/zinc/37/69/70/981376970.db2.gz CZJXIQSZHMJNEO-UHFFFAOYSA-N -1 0 306.278 -0.105 20 0 DBADRM CNC(=O)CCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001361978168 981378501 /nfs/dbraw/zinc/37/85/01/981378501.db2.gz DRYMEMUHCNRXIY-UHFFFAOYSA-N -1 0 305.294 -0.868 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)CSc1n[nH]c(=O)[n-]1)CC2 ZINC001361987553 981379319 /nfs/dbraw/zinc/37/93/19/981379319.db2.gz ROPXFMHKYZMUBH-UHFFFAOYSA-N -1 0 322.350 -0.719 20 0 DBADRM CNC(=O)CN(C)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362016598 981387956 /nfs/dbraw/zinc/38/79/56/981387956.db2.gz DGYTXLVIAYRABD-UHFFFAOYSA-N -1 0 305.294 -0.916 20 0 DBADRM Cn1ccc(N2CCC[C@H](NC(=O)c3c[n-]ncc3=O)C2=O)n1 ZINC001362018224 981388412 /nfs/dbraw/zinc/38/84/12/981388412.db2.gz LYFNBSKKZAGSKM-JTQLQIEISA-N -1 0 316.321 -0.159 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCCC(=O)NC(N)=O)cc1=O ZINC001362032530 981391238 /nfs/dbraw/zinc/39/12/38/981391238.db2.gz WPZWROAKOFJHKK-UHFFFAOYSA-N -1 0 311.342 -0.924 20 0 DBADRM NC(=O)[C@@H]1Cc2ccccc2N(C(=O)CCc2nnn[n-]2)C1 ZINC001362045820 981398946 /nfs/dbraw/zinc/39/89/46/981398946.db2.gz HDBRGNCCQVOIFO-SNVBAGLBSA-N -1 0 300.322 -0.177 20 0 DBADRM O=C(c1cc2n(n1)CCC[C@H]2O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362058571 981402897 /nfs/dbraw/zinc/40/28/97/981402897.db2.gz CLDHXRRCKUODJQ-MNOVXSKESA-N -1 0 319.325 -0.563 20 0 DBADRM O=C([C@H]1CCn2cncc2C1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362059412 981404499 /nfs/dbraw/zinc/40/44/99/981404499.db2.gz GPJQMHSHMGHOCP-ONGXEEELSA-N -1 0 303.326 -0.441 20 0 DBADRM COc1cccc(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)n1 ZINC001362060769 981405130 /nfs/dbraw/zinc/40/51/30/981405130.db2.gz KKRZJMYQQPPNCL-JTQLQIEISA-N -1 0 304.310 -0.254 20 0 DBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362065075 981406580 /nfs/dbraw/zinc/40/65/80/981406580.db2.gz SOJXUARTOFGWSO-JGVFFNPUSA-N -1 0 311.346 -0.817 20 0 DBADRM CN(C)c1cccnc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362066939 981407516 /nfs/dbraw/zinc/40/75/16/981407516.db2.gz YGZVYNGKBXCZON-JTQLQIEISA-N -1 0 303.326 -0.126 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001362073145 981410067 /nfs/dbraw/zinc/41/00/67/981410067.db2.gz KZNFVTBONWNODW-MRVPVSSYSA-N -1 0 318.355 -0.980 20 0 DBADRM Cc1nccn1CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001362087631 981414878 /nfs/dbraw/zinc/41/48/78/981414878.db2.gz PHCQUSHUAGUEIN-UHFFFAOYSA-N -1 0 324.362 -0.025 20 0 DBADRM CC(=O)N1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](C)C1 ZINC001362090766 981415605 /nfs/dbraw/zinc/41/56/05/981415605.db2.gz PGCSBBPGPFHBMP-VIFPVBQESA-N -1 0 311.342 -0.451 20 0 DBADRM Cn1ccnc1C[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001362094210 981416965 /nfs/dbraw/zinc/41/69/65/981416965.db2.gz OGQQWKIYHCDCFQ-JTQLQIEISA-N -1 0 320.353 -0.096 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCCS(=O)(=O)CC1 ZINC001362112079 981424355 /nfs/dbraw/zinc/42/43/55/981424355.db2.gz QXGCKHQVGBAXNQ-UHFFFAOYSA-N -1 0 318.355 -0.883 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCSC[C@H]1CCO ZINC001362113884 981425679 /nfs/dbraw/zinc/42/56/79/981425679.db2.gz HOKADLNYAGOORH-SECBINFHSA-N -1 0 316.383 -0.204 20 0 DBADRM COC(=O)[C@@H](C)CN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362123318 981428785 /nfs/dbraw/zinc/42/87/85/981428785.db2.gz LWQSIRYJUQKMAV-QMMMGPOBSA-N -1 0 300.315 -0.263 20 0 DBADRM O=C(c1cnc2n1CCOC2)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362124761 981428964 /nfs/dbraw/zinc/42/89/64/981428964.db2.gz OHHAVLDLNBYIII-SECBINFHSA-N -1 0 305.298 -0.860 20 0 DBADRM Cc1noc([C@@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001362139616 981435369 /nfs/dbraw/zinc/43/53/69/981435369.db2.gz WJNABNAYOVHNLV-SSDOTTSWSA-N -1 0 306.282 -0.006 20 0 DBADRM COC[C@](C)(NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)OC ZINC001362141350 981437209 /nfs/dbraw/zinc/43/72/09/981437209.db2.gz URNVIZNBHLQHGR-LBPRGKRZSA-N -1 0 316.314 -0.836 20 0 DBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CCCc1nnn[n-]1 ZINC001362148220 981439776 /nfs/dbraw/zinc/43/97/76/981439776.db2.gz PGBPHSRYGLATOS-IUCAKERBSA-N -1 0 303.388 -0.198 20 0 DBADRM C[C@](CO)(NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C1CC1 ZINC001362151190 981440283 /nfs/dbraw/zinc/44/02/83/981440283.db2.gz IDJHUBYQRSKBGY-CQSZACIVSA-N -1 0 302.338 -0.034 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H](C)CS(C)(=O)=O ZINC001362170930 981447143 /nfs/dbraw/zinc/44/71/43/981447143.db2.gz BUTAFMJOXTXBPV-LURJTMIESA-N -1 0 304.328 -0.822 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001362183197 981451348 /nfs/dbraw/zinc/45/13/48/981451348.db2.gz YFFXRRDFESNSBH-QMMMGPOBSA-N -1 0 312.326 -0.121 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)CCCc1nnn[n-]1 ZINC001362183321 981451587 /nfs/dbraw/zinc/45/15/87/981451587.db2.gz ZAZFVNSTTHFNRB-SECBINFHSA-N -1 0 316.387 -0.937 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N(CCO)Cc1cccnc1 ZINC001362182811 981451820 /nfs/dbraw/zinc/45/18/20/981451820.db2.gz NKXKUVRNLQWRHM-UHFFFAOYSA-N -1 0 321.337 -0.114 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001362190334 981454750 /nfs/dbraw/zinc/45/47/50/981454750.db2.gz ZQGXQZIYNSYQSC-IUCAKERBSA-N -1 0 324.362 -0.330 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC(=O)N1CCc2ccccc21 ZINC001362200555 981458046 /nfs/dbraw/zinc/45/80/46/981458046.db2.gz MTXRXDYJYMZXRM-UHFFFAOYSA-N -1 0 317.305 -0.605 20 0 DBADRM COC(=O)C(C)(C)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362202935 981459510 /nfs/dbraw/zinc/45/95/10/981459510.db2.gz VWKIAYQXJVEXQE-UHFFFAOYSA-N -1 0 300.315 -0.215 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362208129 981461862 /nfs/dbraw/zinc/46/18/62/981461862.db2.gz LJPXAXZIMVPUPT-SECBINFHSA-N -1 0 317.353 -0.116 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362208574 981462376 /nfs/dbraw/zinc/46/23/76/981462376.db2.gz NAWCONUULHXJEL-ZJUUUORDSA-N -1 0 310.358 -0.961 20 0 DBADRM COC(=O)c1cccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)c1 ZINC001362233827 981473026 /nfs/dbraw/zinc/47/30/26/981473026.db2.gz UTEZLQDLQNYALW-UHFFFAOYSA-N -1 0 304.262 -0.001 20 0 DBADRM COc1ccc([C@@]2(C(=O)NCc3nnn[n-]3)C[C@@H](O)C2)cc1 ZINC001362237611 981474594 /nfs/dbraw/zinc/47/45/94/981474594.db2.gz NERKGTUEDYIHMK-YPFXGUDJSA-N -1 0 303.322 -0.083 20 0 DBADRM COc1ccc([C@H](O)CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC001362242738 981478116 /nfs/dbraw/zinc/47/81/16/981478116.db2.gz GBMGWMMGSLQREY-SECBINFHSA-N -1 0 306.278 -0.245 20 0 DBADRM COc1ccc([C@@H](O)CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC001362242746 981478538 /nfs/dbraw/zinc/47/85/38/981478538.db2.gz GBMGWMMGSLQREY-VIFPVBQESA-N -1 0 306.278 -0.245 20 0 DBADRM COC(=O)c1ccn(CCCC(=O)NCc2nc(=O)o[n-]2)n1 ZINC001362266135 981489077 /nfs/dbraw/zinc/48/90/77/981489077.db2.gz FJIDMAIQYZCFPO-UHFFFAOYSA-N -1 0 309.282 -0.557 20 0 DBADRM CCOC(=O)C1(CC(=O)NCc2nc(=O)o[n-]2)CCOCC1 ZINC001362267087 981489336 /nfs/dbraw/zinc/48/93/36/981489336.db2.gz HFMSZUIRCFWRPX-UHFFFAOYSA-N -1 0 313.310 -0.271 20 0 DBADRM CN1C[C@@H](NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C(=O)N1 ZINC001362280991 981494544 /nfs/dbraw/zinc/49/45/44/981494544.db2.gz AAUMWAMFXMCUPY-SECBINFHSA-N -1 0 303.278 -0.895 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCc1nc(=O)o[n-]1 ZINC001362317460 981511908 /nfs/dbraw/zinc/51/19/08/981511908.db2.gz FRKFDDBJCSPZTD-XVKPBYJWSA-N -1 0 312.326 -0.965 20 0 DBADRM COc1ccc2c(c1)OC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001362318754 981512060 /nfs/dbraw/zinc/51/20/60/981512060.db2.gz WMMAHASKMGQMLF-VIFPVBQESA-N -1 0 320.305 -0.182 20 0 DBADRM Cc1ccc(O)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001362334323 981518534 /nfs/dbraw/zinc/51/85/34/981518534.db2.gz MACRKCPHCOQHOX-UHFFFAOYSA-N -1 0 300.336 -0.104 20 0 DBADRM Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)CCc2nnn[n-]2)cn1 ZINC001362335870 981519111 /nfs/dbraw/zinc/51/91/11/981519111.db2.gz PLJXRFBJAAAQHZ-MGUXCZDKSA-N -1 0 323.382 -0.802 20 0 DBADRM C[C@@H]1CCS(=O)(=O)CCN1C(=O)CCCc1nnn[n-]1 ZINC001362336281 981519642 /nfs/dbraw/zinc/51/96/42/981519642.db2.gz GCUIMZUSXZEMFE-SECBINFHSA-N -1 0 301.372 -0.442 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001362345002 981522206 /nfs/dbraw/zinc/52/22/06/981522206.db2.gz FRHFTSBGIJFYEF-SKDRFNHKSA-N -1 0 304.368 -0.472 20 0 DBADRM O=C(CCNC(=O)CCc1nnn[n-]1)NCc1ccccn1 ZINC001362352714 981526546 /nfs/dbraw/zinc/52/65/46/981526546.db2.gz KYBVCVJDWNGQFK-UHFFFAOYSA-N -1 0 303.326 -0.650 20 0 DBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001362354440 981528183 /nfs/dbraw/zinc/52/81/83/981528183.db2.gz JNJHCLPUMMJBRR-ONGXEEELSA-N -1 0 320.305 -0.839 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)CCCc1nnn[n-]1 ZINC001362358233 981529966 /nfs/dbraw/zinc/52/99/66/981529966.db2.gz UJXUIUFIHNDWPV-ZJUUUORDSA-N -1 0 311.342 -0.299 20 0 DBADRM O=C(c1cn2c(n1)COCC2)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362359434 981530822 /nfs/dbraw/zinc/53/08/22/981530822.db2.gz UPDSYASAINUFBQ-SECBINFHSA-N -1 0 303.326 -0.054 20 0 DBADRM CNc1cnc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)cn1 ZINC001362366793 981532873 /nfs/dbraw/zinc/53/28/73/981532873.db2.gz LSBGKJZKYCFFJT-QMMMGPOBSA-N -1 0 306.355 -0.038 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362368988 981534449 /nfs/dbraw/zinc/53/44/49/981534449.db2.gz QURYJZQZXVRTPT-KKZNHRDASA-N -1 0 323.353 -0.418 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1c[n-]ncc1=O ZINC001362378549 981538561 /nfs/dbraw/zinc/53/85/61/981538561.db2.gz HIACGSKUXDOYRX-JTQLQIEISA-N -1 0 324.337 -0.384 20 0 DBADRM CS(=O)(=O)[C@@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001362383063 981540716 /nfs/dbraw/zinc/54/07/16/981540716.db2.gz RYFQXEVNFZWMGM-ZCFIWIBFSA-N -1 0 306.369 -0.752 20 0 DBADRM C[C@@](O)(C(=O)N1CCC(O)(c2nnn[n-]2)CC1)c1ccccc1 ZINC001362384012 981541774 /nfs/dbraw/zinc/54/17/74/981541774.db2.gz BPOQJHPCBGSCEJ-AWEZNQCLSA-N -1 0 317.349 -0.083 20 0 DBADRM Cn1nc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cc1C1CC1 ZINC001362389946 981543265 /nfs/dbraw/zinc/54/32/65/981543265.db2.gz SJJWJTLBTZBGAA-UHFFFAOYSA-N -1 0 317.353 -0.066 20 0 DBADRM CCOC(=O)CN1CCCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001362395951 981545512 /nfs/dbraw/zinc/54/55/12/981545512.db2.gz XUWSQBCDYBTJMX-UHFFFAOYSA-N -1 0 324.385 -0.380 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362403759 981550082 /nfs/dbraw/zinc/55/00/82/981550082.db2.gz CCYFCRJHAOXZAC-SFYZADRCSA-N -1 0 313.387 -0.491 20 0 DBADRM NC(=O)c1cccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)n1 ZINC001362406214 981552575 /nfs/dbraw/zinc/55/25/75/981552575.db2.gz KLQPLLGFVGSAMI-QMMMGPOBSA-N -1 0 301.310 -0.287 20 0 DBADRM CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362406653 981552603 /nfs/dbraw/zinc/55/26/03/981552603.db2.gz JYCKMVCYVFMBKO-QWRGUYRKSA-N -1 0 302.338 -0.036 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)cn1 ZINC001362405188 981553259 /nfs/dbraw/zinc/55/32/59/981553259.db2.gz DSVXMYQRSXJRKU-JTQLQIEISA-N -1 0 315.337 -0.358 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)nn1 ZINC001362407257 981554452 /nfs/dbraw/zinc/55/44/52/981554452.db2.gz PPRBMUKHRNWWBV-DTWKUNHWSA-N -1 0 306.330 -0.749 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCSC[C@@H]2c2nnn[n-]2)C1 ZINC001362408912 981555446 /nfs/dbraw/zinc/55/54/46/981555446.db2.gz OLIUGCQHWXWHED-HRDYMLBCSA-N -1 0 310.383 -0.282 20 0 DBADRM COc1cc(CCO)ccc1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362407355 981555936 /nfs/dbraw/zinc/55/59/36/981555936.db2.gz MTQFVPWPYSOGPV-UHFFFAOYSA-N -1 0 308.294 -0.129 20 0 DBADRM CCO[C@H]1C[C@](O)(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1(C)C ZINC001362411645 981557516 /nfs/dbraw/zinc/55/75/16/981557516.db2.gz IYWITYYBKGVJHO-SDBXPKJASA-N -1 0 314.342 -0.628 20 0 DBADRM O=C(CN1CCCC2(CC2)S1(=O)=O)NCc1n[nH]c(=O)[n-]1 ZINC001362415245 981559171 /nfs/dbraw/zinc/55/91/71/981559171.db2.gz KCPUIOHHIMRMSQ-UHFFFAOYSA-N -1 0 315.355 -0.915 20 0 DBADRM COC(=O)c1ccn(CCCC(=O)NCc2n[nH]c(=O)[n-]2)n1 ZINC001362414407 981559646 /nfs/dbraw/zinc/55/96/46/981559646.db2.gz DTMMYIFJJKSQQK-UHFFFAOYSA-N -1 0 308.298 -0.410 20 0 DBADRM CCC(CC)(NC(=O)CCS(=O)(=O)N(C)C)c1nnn[n-]1 ZINC001362420475 981562426 /nfs/dbraw/zinc/56/24/26/981562426.db2.gz COICHUIFKAXPLW-UHFFFAOYSA-N -1 0 318.403 -0.387 20 0 DBADRM CCC(CC)(NC(=O)Cn1cc([C@H](C)O)nn1)c1nnn[n-]1 ZINC001362428169 981563621 /nfs/dbraw/zinc/56/36/21/981563621.db2.gz VJOGAJTWCBKIQH-QMMMGPOBSA-N -1 0 308.346 -0.324 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1CC(c2cnn(C)c2)=NO1)c1nnn[n-]1 ZINC001362453454 981578798 /nfs/dbraw/zinc/57/87/98/981578798.db2.gz LTTZOOMJSUGNDZ-GZMMTYOYSA-N -1 0 318.341 -0.312 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1c[n-]ncc1=O ZINC001362469905 981585945 /nfs/dbraw/zinc/58/59/45/981585945.db2.gz VWCFSGFPDFKQLF-WCBMZHEXSA-N -1 0 314.367 -0.370 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1c[n-]ncc1=O ZINC001362469900 981587226 /nfs/dbraw/zinc/58/72/26/981587226.db2.gz VWCFSGFPDFKQLF-SCZZXKLOSA-N -1 0 314.367 -0.370 20 0 DBADRM COc1cccc(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC001362470151 981588753 /nfs/dbraw/zinc/58/87/53/981588753.db2.gz STPUQYOFUOKZBP-UHFFFAOYSA-N -1 0 315.351 -0.785 20 0 DBADRM O=C(NC[C@H](O)C1CCOCC1)c1c[n-]n2c1nccc2=O ZINC001362480657 981593778 /nfs/dbraw/zinc/59/37/78/981593778.db2.gz NPJMDCDMRLOAFH-NSHDSACASA-N -1 0 306.322 -0.460 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)o1 ZINC001362480231 981593785 /nfs/dbraw/zinc/59/37/85/981593785.db2.gz MWLORHZGGLYBJJ-ZCFIWIBFSA-N -1 0 303.282 -0.360 20 0 DBADRM CCO[C@@H]1C[C@](CO)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1(C)C ZINC001362502524 981603617 /nfs/dbraw/zinc/60/36/17/981603617.db2.gz VQBDZABSGAJCFD-AMIZOPFISA-N -1 0 314.342 -0.628 20 0 DBADRM C[C@@H](CN(C)C(=O)C[C@]1(C)CCS(=O)(=O)N1)c1nnn[n-]1 ZINC001362504733 981605967 /nfs/dbraw/zinc/60/59/67/981605967.db2.gz XQGMAJXULJABRK-KWQFWETISA-N -1 0 316.387 -0.767 20 0 DBADRM C=C/C(C)=C\CC(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001530589155 1014748923 /nfs/dbraw/zinc/74/89/23/1014748923.db2.gz LQNQTXGCFYVCBS-WTKPLQERSA-N -1 0 321.337 -0.461 20 0 DBADRM CN(CCCC(=O)NCc1nc(=O)o[n-]1)C(=O)c1ccncc1 ZINC001362523966 981620559 /nfs/dbraw/zinc/62/05/59/981620559.db2.gz KRSYILXNKHRDHM-UHFFFAOYSA-N -1 0 319.321 -0.074 20 0 DBADRM CN1C(=O)C[C@H](C(=O)NCc2nc(=O)o[n-]2)[C@H]1c1cccnc1 ZINC001362523814 981621281 /nfs/dbraw/zinc/62/12/81/981621281.db2.gz IZVFUMJPQDTFQP-JOYOIKCWSA-N -1 0 317.305 -0.406 20 0 DBADRM Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)NCc1nc(=O)o[n-]1 ZINC001362526051 981624543 /nfs/dbraw/zinc/62/45/43/981624543.db2.gz SXIDFBYEJIGBBK-UHFFFAOYSA-N -1 0 323.309 -0.018 20 0 DBADRM COC1(CNC(=O)CSc2n[nH]c(=O)[n-]2)CCOCC1 ZINC001362527218 981625704 /nfs/dbraw/zinc/62/57/04/981625704.db2.gz FINXRWPEKLTURL-UHFFFAOYSA-N -1 0 302.356 -0.086 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCS(=O)(=O)C1CC1 ZINC001362553180 981665171 /nfs/dbraw/zinc/66/51/71/981665171.db2.gz FUAPUCKBGMAHPA-UHFFFAOYSA-N -1 0 318.355 -0.837 20 0 DBADRM COC(=O)[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1F ZINC001362557141 981670046 /nfs/dbraw/zinc/67/00/46/981670046.db2.gz LEZCNBHRXAHBFY-SNVBAGLBSA-N -1 0 324.268 -0.141 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN[C@@H](c2ccccc2)C1 ZINC001362555760 981671845 /nfs/dbraw/zinc/67/18/45/981671845.db2.gz QXRUGPOEESALRW-LLVKDONJSA-N -1 0 303.322 -0.138 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362555227 981672369 /nfs/dbraw/zinc/67/23/69/981672369.db2.gz KWNMUQNCEALRGI-RQJHMYQMSA-N -1 0 312.282 -0.925 20 0 DBADRM C[C@@H](CC(=O)N1CCC(O)(c2nnn[n-]2)CC1)n1cccn1 ZINC001362558206 981677844 /nfs/dbraw/zinc/67/78/44/981677844.db2.gz BTYJHKVOQXZHFJ-JTQLQIEISA-N -1 0 305.342 -0.143 20 0 DBADRM CC(=O)N[C@@](C)(C(=O)N1CCC(O)(c2nnn[n-]2)CC1)C(C)C ZINC001362562243 981684172 /nfs/dbraw/zinc/68/41/72/981684172.db2.gz OAYBKJIQTDAVQW-CYBMUJFWSA-N -1 0 324.385 -0.440 20 0 DBADRM Cn1[nH]c(C2CCN(C(=O)CCc3nnn[n-]3)CC2)nc1=N ZINC001362563252 981686163 /nfs/dbraw/zinc/68/61/63/981686163.db2.gz SUPNPEKGQIDKGE-UHFFFAOYSA-N -1 0 305.346 -0.920 20 0 DBADRM CN1CC[C@@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C1=O ZINC001362564448 981688438 /nfs/dbraw/zinc/68/84/38/981688438.db2.gz XTTXZIDUNGWODR-SNVBAGLBSA-N -1 0 301.310 -0.965 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H](CO)c1cccnc1 ZINC001362572301 981705318 /nfs/dbraw/zinc/70/53/18/981705318.db2.gz DGNUHFNZQDBEIZ-SNVBAGLBSA-N -1 0 307.310 -0.286 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCN2C(=O)CC[C@H]2C1 ZINC001362586127 981729399 /nfs/dbraw/zinc/72/93/99/981729399.db2.gz FWNBGUIIYLDPBU-VIFPVBQESA-N -1 0 309.326 -0.697 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@@H]1CCCc2c1cnn2CCO ZINC001362601783 981743250 /nfs/dbraw/zinc/74/32/50/981743250.db2.gz OINDHQSBJAFCKP-SNVBAGLBSA-N -1 0 305.342 -0.485 20 0 DBADRM COCCn1cc(C(=O)N(C)Cc2nc(=O)o[n-]2)ccc1=O ZINC001362608803 981749728 /nfs/dbraw/zinc/74/97/28/981749728.db2.gz WJIKKFUJABYDGX-UHFFFAOYSA-N -1 0 308.294 -0.557 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)N(C)Cc2nc(=O)o[n-]2)c(=O)c1 ZINC001362608023 981752461 /nfs/dbraw/zinc/75/24/61/981752461.db2.gz SXAUOHDCFWDDBH-AWEZNQCLSA-N -1 0 322.321 -0.757 20 0 DBADRM CCOC(=O)c1cn(CCNC(=O)CCc2nnn[n-]2)cn1 ZINC001362609271 981752487 /nfs/dbraw/zinc/75/24/87/981752487.db2.gz BCQVLOYQZRMFMP-UHFFFAOYSA-N -1 0 307.314 -0.678 20 0 DBADRM CCC(CC)(NC(=O)CS(=O)(=O)C1CC1)c1nnn[n-]1 ZINC001362628190 981773891 /nfs/dbraw/zinc/77/38/91/981773891.db2.gz ZGUGPMVVMGWAIZ-UHFFFAOYSA-N -1 0 301.372 -0.092 20 0 DBADRM C[C@@H](O)C[C@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001362630452 981775797 /nfs/dbraw/zinc/77/57/97/981775797.db2.gz RIIBVODSWAUVIG-KOLCDFICSA-N -1 0 318.337 -0.126 20 0 DBADRM Cn1c(Cl)ncc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001362647842 981795343 /nfs/dbraw/zinc/79/53/43/981795343.db2.gz SKJVLKJBUIZBEA-UHFFFAOYSA-N -1 0 308.747 -0.731 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)CCO2)cn1 ZINC001362649449 981797441 /nfs/dbraw/zinc/79/74/41/981797441.db2.gz OHLNNNKPIWWUSY-UWVGGRQHSA-N -1 0 322.325 -0.541 20 0 DBADRM C[C@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)CC[S@@](=O)C1 ZINC001362656278 981801461 /nfs/dbraw/zinc/80/14/61/981801461.db2.gz FPLSLIOADVEXJE-JLTPVHFHSA-N -1 0 308.363 -0.137 20 0 DBADRM CC(C)[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccnn1C ZINC001362656360 981802026 /nfs/dbraw/zinc/80/20/26/981802026.db2.gz GRNNYOZEQOYLOX-SECBINFHSA-N -1 0 308.342 -0.021 20 0 DBADRM CCOC(=O)c1n[nH]c([C@H](C)NC(=O)c2cc(=O)n(C)[n-]2)n1 ZINC001362657324 981803329 /nfs/dbraw/zinc/80/33/29/981803329.db2.gz BRBVSURQFYJHKB-LURJTMIESA-N -1 0 308.298 -0.089 20 0 DBADRM O=C(CCCn1cncn1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362681713 981815170 /nfs/dbraw/zinc/81/51/70/981815170.db2.gz BQUQQZDFDSBCKQ-VIFPVBQESA-N -1 0 308.371 -0.112 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC(=O)N1 ZINC001362694137 981823870 /nfs/dbraw/zinc/82/38/70/981823870.db2.gz FYDGKDNPRHFHMT-ZCFIWIBFSA-N -1 0 303.278 -0.604 20 0 DBADRM O=C(CN1CCOC1=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC001362712564 981839501 /nfs/dbraw/zinc/83/95/01/981839501.db2.gz IOEGXHJPLTXHIA-LLVKDONJSA-N -1 0 302.294 -0.143 20 0 DBADRM Cc1ncccc1CC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362721282 981846534 /nfs/dbraw/zinc/84/65/34/981846534.db2.gz BBICQXLHVRPNLL-UHFFFAOYSA-N -1 0 302.338 -0.044 20 0 DBADRM CC1SC(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)=NC1=O ZINC001362722078 981847329 /nfs/dbraw/zinc/84/73/29/981847329.db2.gz FIJBEXLLRDFKND-UHFFFAOYSA-N -1 0 310.339 -0.206 20 0 DBADRM C[C@H](Cc1cnn(C)c1)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362728159 981851584 /nfs/dbraw/zinc/85/15/84/981851584.db2.gz VNYDVNYOGPBIMU-SNVBAGLBSA-N -1 0 319.369 -0.378 20 0 DBADRM CCc1nnc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)s1 ZINC001362733448 981854649 /nfs/dbraw/zinc/85/46/49/981854649.db2.gz XRPNIQRCGVLYPG-UHFFFAOYSA-N -1 0 309.355 -0.263 20 0 DBADRM Cc1cc[nH]c(=O)c1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362733495 981855716 /nfs/dbraw/zinc/85/57/16/981855716.db2.gz XUXCBHHFXJUIIZ-UHFFFAOYSA-N -1 0 304.310 -0.267 20 0 DBADRM NC(=O)[C@H](F)C1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001362739544 981859822 /nfs/dbraw/zinc/85/98/22/981859822.db2.gz SSGJATGNTFOINY-LLVKDONJSA-N -1 0 321.312 -0.302 20 0 DBADRM O=C(CCc1nnc(C(F)F)o1)NCCc1nc(=O)o[n-]1 ZINC001362747577 981862564 /nfs/dbraw/zinc/86/25/64/981862564.db2.gz IUXNJOWJEALPLW-UHFFFAOYSA-N -1 0 303.225 -0.025 20 0 DBADRM NC(=O)[C@]1(c2ccccc2)CCN(C(=O)CCc2nnn[n-]2)C1 ZINC001362755751 981868062 /nfs/dbraw/zinc/86/80/62/981868062.db2.gz IFKGHGVVBLZIKW-OAHLLOKOSA-N -1 0 314.349 -0.212 20 0 DBADRM CN(C)c1ccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cn1 ZINC001362762812 981874305 /nfs/dbraw/zinc/87/43/05/981874305.db2.gz WEQRBMIJFPXXAM-SNVBAGLBSA-N -1 0 303.326 -0.126 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)n1C ZINC001362763312 981874495 /nfs/dbraw/zinc/87/44/95/981874495.db2.gz YMPZUGQZBLHPRD-SNVBAGLBSA-N -1 0 320.309 -0.462 20 0 DBADRM CS(=O)(=O)C1CCC(C(=O)NCCc2nc(=O)o[n-]2)CC1 ZINC001362774994 981880555 /nfs/dbraw/zinc/88/05/55/981880555.db2.gz PGJWOYOEYRQXGC-UHFFFAOYSA-N -1 0 317.367 -0.375 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001362783190 981884365 /nfs/dbraw/zinc/88/43/65/981884365.db2.gz HYSWXRHLHWMOTP-NEPJUHHUSA-N -1 0 314.363 -0.374 20 0 DBADRM CCS(=O)(=O)C1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001362781766 981884425 /nfs/dbraw/zinc/88/44/25/981884425.db2.gz IVUDDBSMRYXZDH-UHFFFAOYSA-N -1 0 315.399 -0.052 20 0 DBADRM CCC(CC)(NC(=O)[C@@H]1CCS(=O)(=O)C1)c1nnn[n-]1 ZINC001362788437 981887367 /nfs/dbraw/zinc/88/73/67/981887367.db2.gz VSIRZRADZSTSFY-MRVPVSSYSA-N -1 0 301.372 -0.234 20 0 DBADRM O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCC(c2nnn[n-]2)CC1 ZINC001362796375 981893061 /nfs/dbraw/zinc/89/30/61/981893061.db2.gz SDOWWCHBUPFFAN-VIFPVBQESA-N -1 0 311.367 -0.146 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC001362802266 981896634 /nfs/dbraw/zinc/89/66/34/981896634.db2.gz YVNJTXNKGAMIPA-MRVPVSSYSA-N -1 0 306.326 -0.134 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1CC[C@@H](c3nnn[n-]3)C1)CC2 ZINC001362822162 981916964 /nfs/dbraw/zinc/91/69/64/981916964.db2.gz KVYOZAHTDSKFSC-DTWKUNHWSA-N -1 0 302.342 -0.551 20 0 DBADRM COCCn1cc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)ccc1=O ZINC001362824690 981917217 /nfs/dbraw/zinc/91/72/17/981917217.db2.gz WOSJUYJLSZJRQK-SNVBAGLBSA-N -1 0 318.337 -0.363 20 0 DBADRM CN(CC(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C)S(C)(=O)=O ZINC001362821383 981918029 /nfs/dbraw/zinc/91/80/29/981918029.db2.gz FKETUOFABBHLMG-QMMMGPOBSA-N -1 0 320.371 -0.542 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1cc(=O)[nH]c(=O)[nH]1 ZINC001362837630 981929498 /nfs/dbraw/zinc/92/94/98/981929498.db2.gz BYLUDJLCUVLYJW-UHFFFAOYSA-N -1 0 322.243 -0.039 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)Cc1nnc(C2CCOCC2)[nH]1 ZINC001362840547 981932159 /nfs/dbraw/zinc/93/21/59/981932159.db2.gz LJRFLKAASBZXQF-UHFFFAOYSA-N -1 0 322.325 -0.424 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCc2cc(=O)[nH]c(=O)[nH]2)cc1=O ZINC001362842427 981935722 /nfs/dbraw/zinc/93/57/22/981935722.db2.gz VUATUFOCIXPQGV-UHFFFAOYSA-N -1 0 321.337 -0.108 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CCO1 ZINC001362849260 981941508 /nfs/dbraw/zinc/94/15/08/981941508.db2.gz ZIUNPIBIELBMFC-KWQFWETISA-N -1 0 304.310 -0.517 20 0 DBADRM CCC(CC)(NC(=O)[C@@H](C)N1CCN(C)CC1)c1nnn[n-]1 ZINC001362856221 981950734 /nfs/dbraw/zinc/95/07/34/981950734.db2.gz MAYBLXSWILHLKX-LLVKDONJSA-N -1 0 309.418 -0.033 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362860039 981953033 /nfs/dbraw/zinc/95/30/33/981953033.db2.gz UCSONRAXISVZQK-QMMMGPOBSA-N -1 0 319.321 -0.479 20 0 DBADRM CNC(=O)COc1cccc(CNC(=O)CCc2nnn[n-]2)c1 ZINC001362866736 981959276 /nfs/dbraw/zinc/95/92/76/981959276.db2.gz HPQFKNSXENJSNE-UHFFFAOYSA-N -1 0 318.337 -0.427 20 0 DBADRM CC(C)(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1ccccn1 ZINC001362901842 981983055 /nfs/dbraw/zinc/98/30/55/981983055.db2.gz QXGGEBGSJQEQSP-UHFFFAOYSA-N -1 0 313.379 -0.059 20 0 DBADRM COC(=O)C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CCCC1 ZINC001362918542 982001870 /nfs/dbraw/zinc/00/18/70/982001870.db2.gz NIKLRGSIXYTIDJ-VIFPVBQESA-N -1 0 312.326 -0.073 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001362936626 982013602 /nfs/dbraw/zinc/01/36/02/982013602.db2.gz KLVGELLSIGJGHE-VXNVDRBHSA-N -1 0 315.326 -0.120 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC001362947605 982020731 /nfs/dbraw/zinc/02/07/31/982020731.db2.gz FOILWGFRHXASQZ-ZETCQYMHSA-N -1 0 321.380 -0.758 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC1(c2nc[nH]n2)CCC1 ZINC001362955455 982025461 /nfs/dbraw/zinc/02/54/61/982025461.db2.gz KJGPXBYCPBXCKO-UHFFFAOYSA-N -1 0 314.309 -0.615 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001362959239 982027996 /nfs/dbraw/zinc/02/79/96/982027996.db2.gz VAXMUWRZGUZAGR-AEJSXWLSSA-N -1 0 314.342 -0.628 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCC[NH+]1CCC(O)CC1 ZINC001362967052 982034410 /nfs/dbraw/zinc/03/44/10/982034410.db2.gz OAOZBBOLJYGUHL-UHFFFAOYSA-N -1 0 301.372 -0.825 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCc1cn2c(n1)SCC2 ZINC001362971825 982039288 /nfs/dbraw/zinc/03/92/88/982039288.db2.gz LSIQGAOPMCXLMX-UHFFFAOYSA-N -1 0 310.339 -0.650 20 0 DBADRM Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)Cn2c(=O)[n-][nH]c2=O)cn1 ZINC001362976849 982040699 /nfs/dbraw/zinc/04/06/99/982040699.db2.gz JOMCVTCPBPNVLG-MNOVXSKESA-N -1 0 320.353 -0.050 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)CCc3nnn[n-]3)[C@H]2C1 ZINC001362982573 982045967 /nfs/dbraw/zinc/04/59/67/982045967.db2.gz RJZMVTLYPHABQX-SDDRHHMPSA-N -1 0 306.370 -0.105 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H](c2nnn[n-]2)C1)N1CCN(C)CC1 ZINC001362993436 982053980 /nfs/dbraw/zinc/05/39/80/982053980.db2.gz GAUQYZLSMBQPIU-RYUDHWBXSA-N -1 0 307.402 -0.458 20 0 DBADRM CSCC[C@H](NC(=O)CS(=O)(=O)C1CC1)c1nnn[n-]1 ZINC001362996426 982057471 /nfs/dbraw/zinc/05/74/71/982057471.db2.gz AMNFVKVSUYHTLN-QMMMGPOBSA-N -1 0 319.412 -0.313 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@](C)(C(F)F)O1 ZINC001362998955 982058852 /nfs/dbraw/zinc/05/88/52/982058852.db2.gz QGAMCZFSIDJGQQ-UPONEAKYSA-N -1 0 306.269 -0.040 20 0 DBADRM Cn1[n-]c(C(=O)NCCS(=O)(=O)N2CCCC2)cc1=O ZINC001363014918 982070199 /nfs/dbraw/zinc/07/01/99/982070199.db2.gz WZZFLPBKJWTYTH-UHFFFAOYSA-N -1 0 302.356 -0.719 20 0 DBADRM CC1=NO[C@@H](CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001363016234 982072316 /nfs/dbraw/zinc/07/23/16/982072316.db2.gz QMSLSSRUXLRQGY-LLVKDONJSA-N -1 0 301.310 -0.031 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363015840 982072715 /nfs/dbraw/zinc/07/27/15/982072715.db2.gz MQACTPBPMDWGMP-QMMMGPOBSA-N -1 0 301.310 -0.665 20 0 DBADRM O=C(COc1ccsn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363028504 982082857 /nfs/dbraw/zinc/08/28/57/982082857.db2.gz MXOFCJDBFVGUTP-UHFFFAOYSA-N -1 0 310.339 -0.455 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363030577 982086007 /nfs/dbraw/zinc/08/60/07/982086007.db2.gz VSHFHCOALSYFHC-RKDXNWHRSA-N -1 0 309.326 -0.791 20 0 DBADRM COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001363038403 982090782 /nfs/dbraw/zinc/09/07/82/982090782.db2.gz MFSVYFSTTASUPW-XAVMHZPKSA-N -1 0 310.310 -0.607 20 0 DBADRM CCOC(=O)N1C[C@H](NC(=O)c2cc(=O)n(C)[n-]2)[C@@H](CO)C1 ZINC001363044364 982095963 /nfs/dbraw/zinc/09/59/63/982095963.db2.gz RGQYOTMQWWWSJW-SCZZXKLOSA-N -1 0 312.326 -0.695 20 0 DBADRM O=C(CCc1nnn[n-]1)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC001363057150 982106402 /nfs/dbraw/zinc/10/64/02/982106402.db2.gz UZUMRCXDHFONHY-GWCFXTLKSA-N -1 0 309.370 -0.184 20 0 DBADRM Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1nc3n(n1)CCCN3)C2 ZINC001363057157 982106662 /nfs/dbraw/zinc/10/66/62/982106662.db2.gz CCEOGTNBOFZPQL-UHFFFAOYSA-N -1 0 301.310 -0.689 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001363061607 982110566 /nfs/dbraw/zinc/11/05/66/982110566.db2.gz XOJNBTCHJUWOQB-VXGBXAGGSA-N -1 0 318.333 -0.249 20 0 DBADRM C[C@@H](CC(=O)N[C@H](c1nnn[n-]1)c1ccccc1)NC(N)=O ZINC001363061595 982110839 /nfs/dbraw/zinc/11/08/39/982110839.db2.gz UPMIFTOLVBQPOQ-KWQFWETISA-N -1 0 303.326 -0.148 20 0 DBADRM CS(=O)(=O)CC1CCC(NC(=O)CCc2nnn[n-]2)CC1 ZINC001363066455 982112703 /nfs/dbraw/zinc/11/27/03/982112703.db2.gz KFHZHTKCAOSYFZ-UHFFFAOYSA-N -1 0 315.399 -0.148 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1c[n-]ncc1=O ZINC001363073353 982118529 /nfs/dbraw/zinc/11/85/29/982118529.db2.gz DAXUMBWVJARCGR-JGVFFNPUSA-N -1 0 310.310 -0.632 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CCN1c1cnccn1 ZINC001363078017 982119673 /nfs/dbraw/zinc/11/96/73/982119673.db2.gz KWXWLUFGSREGAE-VIFPVBQESA-N -1 0 319.325 -0.783 20 0 DBADRM CCOC(=O)N1CSC[C@H]1C(=O)NCCc1nc(=O)o[n-]1 ZINC001363093759 982131734 /nfs/dbraw/zinc/13/17/34/982131734.db2.gz UMJBQMXAGLYMIA-ZETCQYMHSA-N -1 0 316.339 -0.447 20 0 DBADRM Cn1cc(C[C@H](CO)NC(=O)CSc2n[nH]c(=O)[n-]2)cn1 ZINC001363102369 982139844 /nfs/dbraw/zinc/13/98/44/982139844.db2.gz VECDYWXIHFCJIO-MRVPVSSYSA-N -1 0 312.355 -0.944 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H](CO)c2nncn2C)cc1=O ZINC001363114695 982146635 /nfs/dbraw/zinc/14/66/35/982146635.db2.gz VXIYSPQNTUPNGM-NSHDSACASA-N -1 0 322.369 -0.647 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)CCc2ccc(=O)[nH]c2)n[n-]1 ZINC001363113217 982147030 /nfs/dbraw/zinc/14/70/30/982147030.db2.gz VPADDHMMKVJAOG-UHFFFAOYSA-N -1 0 311.323 -0.120 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@]2(CCSC2)C1 ZINC001363112628 982147643 /nfs/dbraw/zinc/14/76/43/982147643.db2.gz XDPAVBPFKFVQCS-LLVKDONJSA-N -1 0 300.340 -0.576 20 0 DBADRM O=C(c1cnc(C2CC2)[nH]c1=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363117144 982149013 /nfs/dbraw/zinc/14/90/13/982149013.db2.gz QZCBQYRTWABWAP-SECBINFHSA-N -1 0 317.309 -0.214 20 0 DBADRM O=C(c1ccnc2c1CC(=O)N2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363116807 982149498 /nfs/dbraw/zinc/14/94/98/982149498.db2.gz PUYFTQZYHGWBAX-SECBINFHSA-N -1 0 315.293 -0.697 20 0 DBADRM C[C@H](Cc1cnn(C)c1)C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363117225 982150155 /nfs/dbraw/zinc/15/01/55/982150155.db2.gz SZHIECKHLGXEAI-KOLCDFICSA-N -1 0 305.342 -0.288 20 0 DBADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1C[C@@H](O)[C@H](CO)C1 ZINC001363119667 982151596 /nfs/dbraw/zinc/15/15/96/982151596.db2.gz OJUAYEPVIFAGCE-WDEREUQCSA-N -1 0 305.290 -0.545 20 0 DBADRM CC/C=C(\C)C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001530836661 1014805846 /nfs/dbraw/zinc/80/58/46/1014805846.db2.gz FJTYXKJBVOCPLJ-XBXARRHUSA-N -1 0 321.337 -0.173 20 0 DBADRM C[C@@H](c1ccccc1)[C@H](O)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363127824 982156425 /nfs/dbraw/zinc/15/64/25/982156425.db2.gz ZETFMIYXWGRWMG-GXSJLCMTSA-N -1 0 306.322 -0.030 20 0 DBADRM NC(=O)[C@H](O)CNC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001363134452 982159267 /nfs/dbraw/zinc/15/92/67/982159267.db2.gz MZDZDQDZJBFZLX-SECBINFHSA-N -1 0 324.724 -0.193 20 0 DBADRM CCOC(=O)[C@H]1CCCN(CC(=O)Nn2c(=O)[n-][nH]c2=O)C1 ZINC001363143078 982170645 /nfs/dbraw/zinc/17/06/45/982170645.db2.gz ZVKCSXZTHJLJPD-QMMMGPOBSA-N -1 0 313.314 -0.966 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)OC(C)(C)C ZINC001363142763 982171428 /nfs/dbraw/zinc/17/14/28/982171428.db2.gz QOAFXMNHOAYNMF-SSDOTTSWSA-N -1 0 300.315 -0.217 20 0 DBADRM CN(C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1nnn[n-]1 ZINC001363141838 982172367 /nfs/dbraw/zinc/17/23/67/982172367.db2.gz JKKFNDJACHFQEM-UHFFFAOYSA-N -1 0 316.730 -0.223 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC1N=NC(=O)N1C ZINC001363143745 982175486 /nfs/dbraw/zinc/17/54/86/982175486.db2.gz VQWAZXYNSCBHEE-ZETCQYMHSA-N -1 0 323.275 -0.160 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(c2ncc(C3CC3)cn2)C1 ZINC001363151622 982183849 /nfs/dbraw/zinc/18/38/49/982183849.db2.gz XCRHJZILUUCZGK-UHFFFAOYSA-N -1 0 316.321 -0.017 20 0 DBADRM CN(C(=O)c1ccc(F)c(S(N)(=O)=O)c1)c1nnn[n-]1 ZINC001363155250 982185266 /nfs/dbraw/zinc/18/52/66/982185266.db2.gz YDLRLKCOTRYYJG-UHFFFAOYSA-N -1 0 300.275 -0.737 20 0 DBADRM COc1cc(CO)ccc1C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363203027 982218320 /nfs/dbraw/zinc/21/83/20/982218320.db2.gz GTBHEWCKRCKRFW-NSHDSACASA-N -1 0 319.321 -0.086 20 0 DBADRM Nc1nc2nc(CN3CCCC4(C3)OCCO4)cc(=O)n2[n-]1 ZINC001363212508 982226903 /nfs/dbraw/zinc/22/69/03/982226903.db2.gz REWACOYEOPAQEG-UHFFFAOYSA-N -1 0 306.326 -0.661 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363216086 982231486 /nfs/dbraw/zinc/23/14/86/982231486.db2.gz HLTADSYMEPTWIH-QMMMGPOBSA-N -1 0 301.372 -0.271 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363216893 982232993 /nfs/dbraw/zinc/23/29/93/982232993.db2.gz JBADYURTOMRRPL-BDAKNGLRSA-N -1 0 304.310 -0.073 20 0 DBADRM CC(C)C(=O)NCCN(C)Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001363219718 982235803 /nfs/dbraw/zinc/23/58/03/982235803.db2.gz ZIIXIUFXZYUWPD-UHFFFAOYSA-N -1 0 307.358 -0.796 20 0 DBADRM C[C@H](O)CN(CC(F)F)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363234379 982246054 /nfs/dbraw/zinc/24/60/54/982246054.db2.gz HBVCDWVKUZTBHE-ZETCQYMHSA-N -1 0 308.285 -0.056 20 0 DBADRM CO[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@](C)(CO)C1 ZINC001363240197 982251237 /nfs/dbraw/zinc/25/12/37/982251237.db2.gz USYQYWYDKYQHJW-ZANVPECISA-N -1 0 314.342 -0.532 20 0 DBADRM CCC[C@H](O)[C@@H](CO)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363243012 982256120 /nfs/dbraw/zinc/25/61/20/982256120.db2.gz AQMSWZQJVVGLET-NEPJUHHUSA-N -1 0 320.353 -0.673 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001363246718 982262656 /nfs/dbraw/zinc/26/26/56/982262656.db2.gz CJBCYHCJSLUPNY-ZKCHVHJHSA-N -1 0 310.335 -0.672 20 0 DBADRM C[C@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CCS1(=O)=O ZINC001363256355 982279814 /nfs/dbraw/zinc/27/98/14/982279814.db2.gz OSSMUVYFPMJEMF-QMMMGPOBSA-N -1 0 318.355 -0.885 20 0 DBADRM O=C(c1nc[n-]c(=O)c1Br)N1CC[C@@H](O)[C@@H](O)C1 ZINC001363259903 982282993 /nfs/dbraw/zinc/28/29/93/982282993.db2.gz OAJNUAASTROTOK-RITPCOANSA-N -1 0 318.127 -0.488 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(c2ccccc2)C(=O)C1 ZINC001363262194 982285509 /nfs/dbraw/zinc/28/55/09/982285509.db2.gz QIPYSPLKRDNEDR-UHFFFAOYSA-N -1 0 317.305 -0.435 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCOC[C@@H]1CC(N)=O)C(=O)[O-] ZINC001594892381 982295357 /nfs/dbraw/zinc/29/53/57/982295357.db2.gz AWVVFAPJPLPWFG-KWBADKCTSA-N -1 0 315.370 -0.822 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001363282967 982305276 /nfs/dbraw/zinc/30/52/76/982305276.db2.gz SUEHYVRVUQYRSD-UHFFFAOYSA-N -1 0 301.372 -0.271 20 0 DBADRM CC1(C)CNC(=O)[C@@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001363288663 982314330 /nfs/dbraw/zinc/31/43/30/982314330.db2.gz UEMJQKFHZJKAOE-QMMMGPOBSA-N -1 0 317.305 -0.310 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363305728 982327312 /nfs/dbraw/zinc/32/73/12/982327312.db2.gz FRDJMQRUFBUDMD-SFYZADRCSA-N -1 0 308.371 -0.175 20 0 DBADRM CCOC(=O)c1cc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)on1 ZINC001363312299 982331839 /nfs/dbraw/zinc/33/18/39/982331839.db2.gz NJIKYEXMQSIDIO-SSDOTTSWSA-N -1 0 306.282 -0.006 20 0 DBADRM COC(=O)c1cc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)n(C)n1 ZINC001363314877 982333565 /nfs/dbraw/zinc/33/35/65/982333565.db2.gz FEXLLBGCNGGWIB-ZETCQYMHSA-N -1 0 305.298 -0.651 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001363326359 982341574 /nfs/dbraw/zinc/34/15/74/982341574.db2.gz BNUIXPIIMNXPEW-NXEZZACHSA-N -1 0 313.383 -0.585 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H](CO)[C@@H]1CCCOC1 ZINC001363329610 982346769 /nfs/dbraw/zinc/34/67/69/982346769.db2.gz QUSNCYQRCNPFIK-SFYZADRCSA-N -1 0 302.356 -0.494 20 0 DBADRM CCOC(=O)c1n[nH]nc1[C@H]1CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001363348842 982356319 /nfs/dbraw/zinc/35/63/19/982356319.db2.gz GVWLOKBZNFUOFL-RKDXNWHRSA-N -1 0 321.337 -0.077 20 0 DBADRM CCOC(=O)c1n[nH]nc1[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001363348838 982356530 /nfs/dbraw/zinc/35/65/30/982356530.db2.gz GVWLOKBZNFUOFL-IUCAKERBSA-N -1 0 321.337 -0.077 20 0 DBADRM CCOC(=O)c1ccc(C(=O)[N-]n2ccc(=O)[nH]c2=O)nc1 ZINC001363347884 982356922 /nfs/dbraw/zinc/35/69/22/982356922.db2.gz SXTXYXPQUFDKHJ-UHFFFAOYSA-N -1 0 304.262 -0.096 20 0 DBADRM CC(=O)N1C[C@@H](C(=O)Nn2c(=O)[n-][nH]c2=O)Oc2ccccc21 ZINC001363373246 982366580 /nfs/dbraw/zinc/36/65/80/982366580.db2.gz BBMYKGAINQSCIH-JTQLQIEISA-N -1 0 319.277 -0.427 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC001363375295 982369557 /nfs/dbraw/zinc/36/95/57/982369557.db2.gz RSBWAGOTPXWYBJ-ZETCQYMHSA-N -1 0 321.268 -0.048 20 0 DBADRM C[C@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1Cc2ccccc2C1=O ZINC001363376253 982370227 /nfs/dbraw/zinc/37/02/27/982370227.db2.gz KINXWBRAMAJNAJ-SSDOTTSWSA-N -1 0 303.278 -0.196 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)[C@H](CO)NC(=O)C(C)C)[n-]1 ZINC001363383624 982378415 /nfs/dbraw/zinc/37/84/15/982378415.db2.gz BYKHKIRWWSDZFL-VIFPVBQESA-N -1 0 312.326 -0.342 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCc1nc2c(s1)CCC2 ZINC001363387300 982381820 /nfs/dbraw/zinc/38/18/20/982381820.db2.gz GAIKJTHYBKMIEY-UHFFFAOYSA-N -1 0 309.351 -0.007 20 0 DBADRM COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)CCCc1nnn[n-]1 ZINC001363393171 982385578 /nfs/dbraw/zinc/38/55/78/982385578.db2.gz RLXYGUQEYHVZKG-ZJUUUORDSA-N -1 0 311.342 -0.251 20 0 DBADRM O=C(CCc1nnn[n-]1)NCC1(N2CCOCC2)CCOCC1 ZINC001363401827 982390982 /nfs/dbraw/zinc/39/09/82/982390982.db2.gz XZYVWFLXYIPYII-UHFFFAOYSA-N -1 0 324.385 -0.870 20 0 DBADRM O=C(c1cn(C2CCC2)nn1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363406678 982395175 /nfs/dbraw/zinc/39/51/75/982395175.db2.gz DBQMBPJVDXYBFM-SNVBAGLBSA-N -1 0 304.314 -0.270 20 0 DBADRM COC[C@H](NC(=O)[C@H](O)c1cccc(OC)c1)c1nnn[n-]1 ZINC001363409302 982396650 /nfs/dbraw/zinc/39/66/50/982396650.db2.gz BRIRLVWMTWGMPU-WDEREUQCSA-N -1 0 307.310 -0.254 20 0 DBADRM CC(=O)c1cc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)n(C)c1 ZINC001363409885 982396682 /nfs/dbraw/zinc/39/66/82/982396682.db2.gz INVDJKUHVFZUBG-NSHDSACASA-N -1 0 304.310 -0.046 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)ccn1 ZINC001363410608 982396800 /nfs/dbraw/zinc/39/68/00/982396800.db2.gz LXRAJBIPPOWXCZ-JTQLQIEISA-N -1 0 318.293 -0.405 20 0 DBADRM O=C([C@@H]1CCCC12OCCO2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363409258 982397183 /nfs/dbraw/zinc/39/71/83/982397183.db2.gz BUTGSWFSTJALFE-VHSXEESVSA-N -1 0 309.326 -0.357 20 0 DBADRM O=C([C@H]1CCc2nncn2CC1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363411079 982399100 /nfs/dbraw/zinc/39/91/00/982399100.db2.gz XQFGEXVQJWNCCF-VHSXEESVSA-N -1 0 318.341 -0.656 20 0 DBADRM COC[C@H](NC(=O)[C@H](C)OC[C@H]1CCCCO1)c1nnn[n-]1 ZINC001363412310 982399397 /nfs/dbraw/zinc/39/93/97/982399397.db2.gz IVFWWKIKHHDDRI-AXFHLTTASA-N -1 0 313.358 -0.022 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CCc2cnc(C)n2C1)c1nnn[n-]1 ZINC001363414825 982402088 /nfs/dbraw/zinc/40/20/88/982402088.db2.gz MMOMBBMSTNHBNN-MWLCHTKSSA-N -1 0 305.342 -0.229 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](C)N1CCSCC1)c1nnn[n-]1 ZINC001363419045 982403953 /nfs/dbraw/zinc/40/39/53/982403953.db2.gz USINWAJPYSCQFD-RKDXNWHRSA-N -1 0 300.388 -0.559 20 0 DBADRM O=C(N[C@H]1CCOC2(CCOCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001363423215 982405334 /nfs/dbraw/zinc/40/53/34/982405334.db2.gz ZQWKNVWDRFUUEX-QMMMGPOBSA-N -1 0 310.310 -0.259 20 0 DBADRM CN1CC[C@H](CNC(=O)c2c[n-]n3c2nccc3=O)CC1=O ZINC001363430831 982406167 /nfs/dbraw/zinc/40/61/67/982406167.db2.gz HVXAGCRGJUYQSZ-VIFPVBQESA-N -1 0 303.322 -0.379 20 0 DBADRM C[N@H+](CC(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1)[C@@H]1CCC[C@H]1O ZINC001363429971 982406672 /nfs/dbraw/zinc/40/66/72/982406672.db2.gz FJWHZUCEARRUCV-YNEHKIRRSA-N -1 0 322.413 -0.174 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1COc2ccc(O)cc2O1)c1nnn[n-]1 ZINC001363433173 982408740 /nfs/dbraw/zinc/40/87/40/982408740.db2.gz JOHCOVDNXBLDOG-KWQFWETISA-N -1 0 321.293 -0.451 20 0 DBADRM Cc1ncc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)c(N)n1 ZINC001363437283 982410580 /nfs/dbraw/zinc/41/05/80/982410580.db2.gz VDJGUCVONUZESM-VIFPVBQESA-N -1 0 302.342 -0.025 20 0 DBADRM COCC(=O)N(C)CC(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001363437901 982412921 /nfs/dbraw/zinc/41/29/21/982412921.db2.gz ZVXHTGNBABSQIO-SNVBAGLBSA-N -1 0 310.358 -0.914 20 0 DBADRM COC[C@H](NC(=O)c1cccn(C2CC2)c1=O)c1nn[n-]n1 ZINC001363438824 982413134 /nfs/dbraw/zinc/41/31/34/982413134.db2.gz VKGLBVNOKAQWIY-JTQLQIEISA-N -1 0 304.310 -0.186 20 0 DBADRM COCn1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cn1 ZINC001363460248 982432509 /nfs/dbraw/zinc/43/25/09/982432509.db2.gz BWGODODVIZPWKC-UHFFFAOYSA-N -1 0 303.282 -0.490 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC001363461603 982433394 /nfs/dbraw/zinc/43/33/94/982433394.db2.gz QVBRAZTWRYCTDT-GWCFXTLKSA-N -1 0 309.370 -0.041 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001363468808 982437460 /nfs/dbraw/zinc/43/74/60/982437460.db2.gz XBBCFLFZQOPKDE-UHFFFAOYSA-N -1 0 312.307 -0.088 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN[C@H](c2cn[nH]c2)C1 ZINC001363496222 982457664 /nfs/dbraw/zinc/45/76/64/982457664.db2.gz BGMZCLYOBYSBCQ-QMMMGPOBSA-N -1 0 309.355 -0.501 20 0 DBADRM O=C(C[C@@H]1CCNC1=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC001363495521 982458117 /nfs/dbraw/zinc/45/81/17/982458117.db2.gz LMDNZFYMFCYQOT-CMPLNLGQSA-N -1 0 300.322 -0.069 20 0 DBADRM COC(=O)[C@@H]1CSCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001363495288 982458684 /nfs/dbraw/zinc/45/86/84/982458684.db2.gz AMZXXPKWXJSKOI-LURJTMIESA-N -1 0 318.380 -0.281 20 0 DBADRM CNC(=O)NCC(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001363507401 982470192 /nfs/dbraw/zinc/47/01/92/982470192.db2.gz DXDYAKPSLGKXIV-SNVBAGLBSA-N -1 0 318.337 -0.161 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@H]1CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001489765659 1014844162 /nfs/dbraw/zinc/84/41/62/1014844162.db2.gz DZHOLKLRSIBBGO-GUBZILKMSA-N -1 0 323.353 -0.595 20 0 DBADRM O=C(CC1CCCC1)NCC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363509630 982473286 /nfs/dbraw/zinc/47/32/86/982473286.db2.gz ASYBEFNGHXZPHH-LLVKDONJSA-N -1 0 322.369 -0.204 20 0 DBADRM C[C@H](O)c1ncc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)s1 ZINC001363511928 982475384 /nfs/dbraw/zinc/47/53/84/982475384.db2.gz KEQITBMBOVJRRS-BQBZGAKWSA-N -1 0 310.339 -0.077 20 0 DBADRM O=C(COCc1cc[nH]c(=O)c1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363515250 982477301 /nfs/dbraw/zinc/47/73/01/982477301.db2.gz XKEXRUHWBFJOQU-JTQLQIEISA-N -1 0 320.309 -0.583 20 0 DBADRM O=C(c1ncc2n1CCCC2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363515331 982478271 /nfs/dbraw/zinc/47/82/71/982478271.db2.gz ZQBUNBYQRHSPDQ-JTQLQIEISA-N -1 0 303.326 -0.054 20 0 DBADRM CC(C)n1ncc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1N ZINC001363515351 982479280 /nfs/dbraw/zinc/47/92/80/982479280.db2.gz ZVXPINCGJUHVAM-SECBINFHSA-N -1 0 306.330 -0.227 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363523031 982484010 /nfs/dbraw/zinc/48/40/10/982484010.db2.gz IDMHYAGATJHMSM-QMMMGPOBSA-N -1 0 316.387 -0.767 20 0 DBADRM CC(C)n1cc(CNC(=O)CCc2nnn[n-]2)c(=O)[nH]c1=O ZINC001363523754 982484819 /nfs/dbraw/zinc/48/48/19/982484819.db2.gz LTGVDDDOJKYMCI-UHFFFAOYSA-N -1 0 307.314 -0.708 20 0 DBADRM CN(C(=O)c1cccc(-c2nc(=O)o[n-]2)c1)[C@@H]1COC[C@H]1O ZINC001363533250 982491194 /nfs/dbraw/zinc/49/11/94/982491194.db2.gz CDASPFRBSHAHNC-GHMZBOCLSA-N -1 0 305.290 -0.138 20 0 DBADRM COC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001363532635 982491509 /nfs/dbraw/zinc/49/15/09/982491509.db2.gz HCBQMWFAIDFIIO-BYPYZUCNSA-N -1 0 304.209 -0.694 20 0 DBADRM CC[C@@H](CN1CCOCC1)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001363540322 982495910 /nfs/dbraw/zinc/49/59/10/982495910.db2.gz ZYQOORABGAGITM-VIFPVBQESA-N -1 0 315.399 -0.171 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCC[C@@H]1CCCS1(=O)=O ZINC001363544494 982499455 /nfs/dbraw/zinc/49/94/55/982499455.db2.gz IZGNSUUATJVVOX-ZETCQYMHSA-N -1 0 320.396 -0.314 20 0 DBADRM CC[C@@]1(O)CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001363549931 982503649 /nfs/dbraw/zinc/50/36/49/982503649.db2.gz NVUCMZROJPKPPE-CQSZACIVSA-N -1 0 305.338 -0.165 20 0 DBADRM CC1(C)OC[C@@H]([C@@H]2CN(C(=O)CCc3nnn[n-]3)CCO2)O1 ZINC001363561810 982511437 /nfs/dbraw/zinc/51/14/37/982511437.db2.gz UTNXGTYHIPKRDV-UWVGGRQHSA-N -1 0 311.342 -0.489 20 0 DBADRM COC[C@H](NC(=O)CCNC(=O)c1ccco1)c1nnn[n-]1 ZINC001363587330 982523307 /nfs/dbraw/zinc/52/33/07/982523307.db2.gz KZAVQLBDZDIOAK-QMMMGPOBSA-N -1 0 308.298 -0.584 20 0 DBADRM O=C(CCc1nnn[n-]1)NC[C@@H](n1cncn1)C(F)(F)F ZINC001363593848 982528388 /nfs/dbraw/zinc/52/83/88/982528388.db2.gz KDBPKDNYIQSFPZ-ZCFIWIBFSA-N -1 0 304.236 -0.356 20 0 DBADRM COC(=O)[C@H]1CCCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363591581 982528420 /nfs/dbraw/zinc/52/84/20/982528420.db2.gz JLHWZXMSIYQDLN-LLVKDONJSA-N -1 0 316.321 -0.148 20 0 DBADRM O=C(Nc1ccn(CCN2CC[NH+]=C2[O-])n1)c1c[n-]ncc1=O ZINC001363610952 982537093 /nfs/dbraw/zinc/53/70/93/982537093.db2.gz CLFDXVYPAGNYDN-UHFFFAOYSA-N -1 0 317.309 -0.344 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOc2ccccc2[C@@H]1CO ZINC001363626187 982542630 /nfs/dbraw/zinc/54/26/30/982542630.db2.gz GFMGAFVKMFTURD-JTQLQIEISA-N -1 0 320.305 -0.356 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)CCS1(=O)=O ZINC001363635207 982546871 /nfs/dbraw/zinc/54/68/71/982546871.db2.gz XGKYVMJJNBRSOZ-BDAKNGLRSA-N -1 0 324.362 -0.282 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@@H](C)c2nn(C)cc2[O-])nn1 ZINC001363656409 982556319 /nfs/dbraw/zinc/55/63/19/982556319.db2.gz ACLOBVMKPWZCNO-DTWKUNHWSA-N -1 0 308.342 -0.021 20 0 DBADRM O=C(NC[C@@H](O)CO)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001363664274 982559091 /nfs/dbraw/zinc/55/90/91/982559091.db2.gz KPVHNSVHESICKB-MRVPVSSYSA-N -1 0 313.260 -0.061 20 0 DBADRM C[C@@]1(C(=O)N2CCC(c3nnn[n-]3)CC2)CCCS1(=O)=O ZINC001363663381 982559666 /nfs/dbraw/zinc/55/96/66/982559666.db2.gz WWAJVVIQGWZYKY-LBPRGKRZSA-N -1 0 313.383 -0.127 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2COCC[C@H]2OC)o1 ZINC001363687622 982572535 /nfs/dbraw/zinc/57/25/35/982572535.db2.gz NEJRVHODTWZMFR-RKDXNWHRSA-N -1 0 318.351 -0.279 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)cc1=O ZINC001363687096 982572587 /nfs/dbraw/zinc/57/25/87/982572587.db2.gz LBPFKVZHKPDWMU-SECBINFHSA-N -1 0 308.338 -0.771 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H](F)CC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001531400527 1014859052 /nfs/dbraw/zinc/85/90/52/1014859052.db2.gz JJGDLLKHWHMZLA-YUMQZZPRSA-N -1 0 317.321 -0.552 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1C[C@H](CO)[C@H](CCO)C1 ZINC001363699559 982577052 /nfs/dbraw/zinc/57/70/52/982577052.db2.gz BBQVTPRTDUCHSH-HTQZYQBOSA-N -1 0 302.356 -0.948 20 0 DBADRM O=C(Cn1nnc2c1CCCC2)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363722706 982589116 /nfs/dbraw/zinc/58/91/16/982589116.db2.gz PNSYQXHGLUAUFG-VIFPVBQESA-N -1 0 302.342 -0.314 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363722674 982590397 /nfs/dbraw/zinc/59/03/97/982590397.db2.gz OPEWGOHKTJSTOL-SECBINFHSA-N -1 0 301.372 -0.414 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@H]2CC[C@@H](O)[C@@H](O)C2)cc1=O ZINC001363752038 982607865 /nfs/dbraw/zinc/60/78/65/982607865.db2.gz RLGAQVNBYMEHPF-UHTWSYAYSA-N -1 0 311.382 -0.235 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N(Cc2nnn[n-]2)CC(C)C)nn1 ZINC001363800272 982645342 /nfs/dbraw/zinc/64/53/42/982645342.db2.gz JPYUKCOMMIXLDK-SNVBAGLBSA-N -1 0 322.373 -0.140 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCc1ncc2c(n1)CCOC2 ZINC001363826372 982659124 /nfs/dbraw/zinc/65/91/24/982659124.db2.gz JOTSEMKRIKTHQP-UHFFFAOYSA-N -1 0 322.350 -0.219 20 0 DBADRM COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1ncc[n-]1 ZINC001363833606 982665056 /nfs/dbraw/zinc/66/50/56/982665056.db2.gz HJHWIMZPYNIXHD-RKDXNWHRSA-N -1 0 303.340 -0.249 20 0 DBADRM CCOC(=O)CC1(NC(=O)c2c[n-]n3c2nccc3=O)COC1 ZINC001363835029 982665532 /nfs/dbraw/zinc/66/55/32/982665532.db2.gz JJKSKITUVMCYOF-UHFFFAOYSA-N -1 0 320.305 -0.525 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1noc2c1CCCC2 ZINC001363844242 982670505 /nfs/dbraw/zinc/67/05/05/982670505.db2.gz WURDBKNPWULXNW-VIFPVBQESA-N -1 0 318.351 -0.493 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N[C@H](C)c1nn(C)cc1[O-] ZINC001363856769 982675721 /nfs/dbraw/zinc/67/57/21/982675721.db2.gz ZNAPOPNBOJFNEW-MRVPVSSYSA-N -1 0 304.372 -0.416 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001363862440 982678825 /nfs/dbraw/zinc/67/88/25/982678825.db2.gz NJEPSVUXTGCANK-NSHDSACASA-N -1 0 319.408 -0.001 20 0 DBADRM COC(=O)C[C@]1(NS(=O)(=O)c2nncn2C)CCCOC1 ZINC001363864308 982681063 /nfs/dbraw/zinc/68/10/63/982681063.db2.gz ZVMIDAUFHPTCLM-LLVKDONJSA-N -1 0 318.355 -0.794 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1CC)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001531508600 1014867585 /nfs/dbraw/zinc/86/75/85/1014867585.db2.gz CPVIDNDECAFQIL-HRDYMLBCSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@H](CNC(=O)[C@@H]1C[C@H]1CC)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001531508601 1014867994 /nfs/dbraw/zinc/86/79/94/1014867994.db2.gz CPVIDNDECAFQIL-IWSPIJDZSA-N -1 0 323.353 -0.047 20 0 DBADRM NC(=O)[C@H](CO)[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001363878401 982688504 /nfs/dbraw/zinc/68/85/04/982688504.db2.gz LSWWWCSIJYQWLI-YFKPBYRVSA-N -1 0 309.731 -0.670 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)c2c[n-]ncc2=O)CC12COC2 ZINC001363897232 982708529 /nfs/dbraw/zinc/70/85/29/982708529.db2.gz MGQVWEOJDQPHKW-SNVBAGLBSA-N -1 0 307.306 -0.166 20 0 DBADRM C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F)C(N)=O ZINC001363923226 982725240 /nfs/dbraw/zinc/72/52/40/982725240.db2.gz CLFGBCRQQVIFLI-IIYDVTGLSA-N -1 0 323.371 -0.009 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001363932836 982732203 /nfs/dbraw/zinc/73/22/03/982732203.db2.gz AMBPAKKUHUJGQJ-ZJUUUORDSA-N -1 0 306.322 -0.915 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H]1CC(=O)N(C)C1 ZINC001363959794 982749533 /nfs/dbraw/zinc/74/95/33/982749533.db2.gz BNOBZDHWMOXMQJ-SSDOTTSWSA-N -1 0 302.308 -0.425 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1cc(OC)ns1 ZINC001363966389 982754943 /nfs/dbraw/zinc/75/49/43/982754943.db2.gz IDQKWWQKJKSRKU-ZETCQYMHSA-N -1 0 310.353 -0.895 20 0 DBADRM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)c1ncc[n-]1 ZINC001363972012 982757512 /nfs/dbraw/zinc/75/75/12/982757512.db2.gz KYZCKVLHMSPRNM-VIFPVBQESA-N -1 0 305.356 -0.003 20 0 DBADRM CCN1CCN(CC(=O)N[C@H](CC2CC2)C(=O)[O-])C(=O)C1=O ZINC001596430493 1017143811 /nfs/dbraw/zinc/14/38/11/1017143811.db2.gz MEWOFOPLIOKPDD-SNVBAGLBSA-N -1 0 311.338 -0.953 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C(N)=O ZINC001363973104 982760184 /nfs/dbraw/zinc/76/01/84/982760184.db2.gz JPTSKUAQPPBIHC-ULCDLSAGSA-N -1 0 315.417 -0.783 20 0 DBADRM Cn1cc(S(=O)(=O)NCC[C@H]2CCCCO2)c(=O)[nH]c1=O ZINC001363979191 982764009 /nfs/dbraw/zinc/76/40/09/982764009.db2.gz UPTLDENQKAKBOT-SECBINFHSA-N -1 0 317.367 -0.277 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)NCCc2nc(=O)o[n-]2)CCC1 ZINC001363981899 982766582 /nfs/dbraw/zinc/76/65/82/982766582.db2.gz GVLZCEGHGFZNPP-UHFFFAOYSA-N -1 0 319.339 -0.689 20 0 DBADRM COc1ncc(S(=O)(=O)NCc2nc(=O)o[n-]2)cc1Cl ZINC001364013326 982785775 /nfs/dbraw/zinc/78/57/75/982785775.db2.gz YOEWEHCAFHQIGS-UHFFFAOYSA-N -1 0 320.714 -0.102 20 0 DBADRM O=c1nc(CNS(=O)(=O)c2nc[nH]c2Br)[n-]o1 ZINC001364013441 982786522 /nfs/dbraw/zinc/78/65/22/982786522.db2.gz YUMHQFMREOALKO-UHFFFAOYSA-N -1 0 324.116 -0.673 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001364020045 982789303 /nfs/dbraw/zinc/78/93/03/982789303.db2.gz CPOLWQMLQXHJHE-VIFPVBQESA-N -1 0 301.372 -0.585 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)c1nnn[n-]1 ZINC001364021296 982790086 /nfs/dbraw/zinc/79/00/86/982790086.db2.gz FECFHKMENLWLPR-RKDXNWHRSA-N -1 0 312.374 -0.056 20 0 DBADRM C[S@](=O)(=NS(=O)(=O)[N-][C@@H]1COC[C@@H]1O)c1ccccc1 ZINC001364024445 982792853 /nfs/dbraw/zinc/79/28/53/982792853.db2.gz PPDPVPNPBSYBDB-RMDKCXRXSA-N -1 0 320.392 -0.263 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@@H]2COC[C@@H]2O)CCCCC1 ZINC001364027121 982794616 /nfs/dbraw/zinc/79/46/16/982794616.db2.gz OIYBDLLHOXEXMZ-MNOVXSKESA-N -1 0 321.395 -0.211 20 0 DBADRM COC[C@H](NC(=O)COc1ccc(CO)cc1)c1nnn[n-]1 ZINC001364032929 982800842 /nfs/dbraw/zinc/80/08/42/982800842.db2.gz PLMGHQDNXZVWCO-NSHDSACASA-N -1 0 307.310 -0.425 20 0 DBADRM COC[C@@H](NC(=O)c1ccnc2c1CC(=O)N2)c1nnn[n-]1 ZINC001364035601 982801918 /nfs/dbraw/zinc/80/19/18/982801918.db2.gz QTQFNKVJMYLAHR-MRVPVSSYSA-N -1 0 303.282 -0.793 20 0 DBADRM COC[C@@H](NC(=O)Cc1[nH]nc2c1CCCC2)c1nnn[n-]1 ZINC001364039261 982803199 /nfs/dbraw/zinc/80/31/99/982803199.db2.gz WYBJFLUEBKUXCG-LLVKDONJSA-N -1 0 305.342 -0.152 20 0 DBADRM COC[C@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1nnn[n-]1 ZINC001364040347 982804213 /nfs/dbraw/zinc/80/42/13/982804213.db2.gz YODWFCPJTYUZHL-JTQLQIEISA-N -1 0 304.310 -0.094 20 0 DBADRM CN1Cc2ccccc2[C@H](NC(=O)CCc2nnn[n-]2)C1=O ZINC001364052505 982809616 /nfs/dbraw/zinc/80/96/16/982809616.db2.gz BGSLOJSLEHHXJX-ZDUSSCGKSA-N -1 0 300.322 -0.038 20 0 DBADRM CCOC(=O)[C@@H](CSC)NC(=O)CCCc1nnn[n-]1 ZINC001364057805 982811994 /nfs/dbraw/zinc/81/19/94/982811994.db2.gz WJPLCGVPWVDKLJ-MRVPVSSYSA-N -1 0 301.372 -0.067 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCN(C)Cc2cnnn2C)c1[O-] ZINC001490178896 1014882179 /nfs/dbraw/zinc/88/21/79/1014882179.db2.gz HMQUQPQZXLPZIA-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCC2CC(O)C2)n[nH]1 ZINC001364058742 982812659 /nfs/dbraw/zinc/81/26/59/982812659.db2.gz PXLPIHXHHIEPKP-UHFFFAOYSA-N -1 0 303.340 -0.364 20 0 DBADRM CCN1C[C@@H](C(=O)N[C@@H](CCSC)c2nnn[n-]2)CC1=O ZINC001364085802 982822659 /nfs/dbraw/zinc/82/26/59/982822659.db2.gz GUMPWLRDANYWJB-IUCAKERBSA-N -1 0 312.399 -0.022 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC001364122310 982834385 /nfs/dbraw/zinc/83/43/85/982834385.db2.gz DNFKFDVEZSKHQE-VXGBXAGGSA-N -1 0 320.353 -0.279 20 0 DBADRM C[C@@]1([C@@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)COC(=O)N1 ZINC001364129340 982835121 /nfs/dbraw/zinc/83/51/21/982835121.db2.gz VGAXAENKILHEBE-UHLUBPPHSA-N -1 0 323.309 -0.367 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC001364137041 982836973 /nfs/dbraw/zinc/83/69/73/982836973.db2.gz ZSMXSILKAJCWCQ-VIFPVBQESA-N -1 0 303.330 -0.377 20 0 DBADRM COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)c2n[nH]c(=O)[n-]2)O1 ZINC001364142398 982837771 /nfs/dbraw/zinc/83/77/71/982837771.db2.gz RMLSOPPFPHUVND-AEJSXWLSSA-N -1 0 312.326 -0.455 20 0 DBADRM Cc1cc(NC(=O)CSCC(=O)N(C)c2nnn[n-]2)no1 ZINC001364202909 982854972 /nfs/dbraw/zinc/85/49/72/982854972.db2.gz VJLLQLKNLWVHQN-UHFFFAOYSA-N -1 0 311.327 -0.169 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)N2CCN(CC(=O)[O-])CC2)CO1 ZINC000926582494 982911034 /nfs/dbraw/zinc/91/10/34/982911034.db2.gz JAVWZFMARHRGMB-SNVBAGLBSA-N -1 0 306.384 -0.414 20 0 DBADRM Cn1nncc1NC(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001364333443 982911195 /nfs/dbraw/zinc/91/11/95/982911195.db2.gz OEMYZZXXAZYQKB-MRVPVSSYSA-N -1 0 304.314 -0.289 20 0 DBADRM CCO[C@H]1C[C@](CO)(NC(=O)N=c2nn[n-]n2CC)C1(C)C ZINC001364369909 982946456 /nfs/dbraw/zinc/94/64/56/982946456.db2.gz QPLOXDWQYKQYCA-TVQRCGJNSA-N -1 0 312.374 -0.198 20 0 DBADRM CO[C@@H](C(=O)N1CCOC[C@H]1c1nnn[n-]1)c1cnn(C)c1 ZINC001364383117 982954541 /nfs/dbraw/zinc/95/45/41/982954541.db2.gz MUFQSCIXYAJMSX-VHSXEESVSA-N -1 0 307.314 -0.779 20 0 DBADRM C[C@]12CN(C(=O)CCCc3nnn[n-]3)C[C@H]1CS(=O)(=O)C2 ZINC001364397776 982958102 /nfs/dbraw/zinc/95/81/02/982958102.db2.gz MJEWIMYJUZDXLD-JOYOIKCWSA-N -1 0 313.383 -0.585 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1nn(C)cc1[O-] ZINC001364395587 982958861 /nfs/dbraw/zinc/95/88/61/982958861.db2.gz MLMKHTBBIAWJKI-RKDXNWHRSA-N -1 0 316.383 -0.273 20 0 DBADRM CN1C(=O)Cc2cc(CNC(=O)c3n[nH]c(=O)[n-]c3=O)ccc21 ZINC001364439667 982987610 /nfs/dbraw/zinc/98/76/10/982987610.db2.gz FJMZTVCBSALPIU-UHFFFAOYSA-N -1 0 315.289 -0.268 20 0 DBADRM COC(=O)[C@]1(CNC(=O)c2c[n-]n3c2nccc3=O)CCOC1 ZINC001364464958 983007882 /nfs/dbraw/zinc/00/78/82/983007882.db2.gz PFPJYGQMMWMKNV-AWEZNQCLSA-N -1 0 320.305 -0.668 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)n[n-]1 ZINC001364483994 983018623 /nfs/dbraw/zinc/01/86/23/983018623.db2.gz HZBHLEMPAYLTKQ-BIIVOSGPSA-N -1 0 300.340 -0.038 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001364504410 983025178 /nfs/dbraw/zinc/02/51/78/983025178.db2.gz HLEBYUTZZMUOKH-LLVKDONJSA-N -1 0 300.340 -0.449 20 0 DBADRM CC(C)(CNC(=O)c1n[nH]c(=O)[n-]1)[C@H]1COCC12OCCO2 ZINC001364513943 983033777 /nfs/dbraw/zinc/03/37/77/983033777.db2.gz XTNDABSFFZRPAE-MRVPVSSYSA-N -1 0 312.326 -0.344 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001364528441 983039134 /nfs/dbraw/zinc/03/91/34/983039134.db2.gz JTPWRRCNABXOFC-BUYFANAVSA-N -1 0 307.272 -0.223 20 0 DBADRM COCCN1C[C@@H](C(=O)NC2(c3nnn[n-]3)CCC2)CC1=O ZINC001364663457 983087308 /nfs/dbraw/zinc/08/73/08/983087308.db2.gz PMLBOSFFEDXYCM-VIFPVBQESA-N -1 0 308.342 -0.810 20 0 DBADRM CC1(C)CC(=O)NCCN1Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001364780215 983129822 /nfs/dbraw/zinc/12/98/22/983129822.db2.gz HYCMTGMELVZMBJ-UHFFFAOYSA-N -1 0 305.342 -0.900 20 0 DBADRM C[C@H](O)C[C@H](C)CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001364788679 983135626 /nfs/dbraw/zinc/13/56/26/983135626.db2.gz ZIONHDVPOSAGPP-YUMQZZPRSA-N -1 0 305.356 -0.829 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)OC)C2CC2)n[nH]1 ZINC001364787226 983135638 /nfs/dbraw/zinc/13/56/38/983135638.db2.gz DRTHKHBYIUPCOJ-VIFPVBQESA-N -1 0 317.323 -0.574 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)CC1(C(=O)OC)CC1)C(=O)OC ZINC001364804742 983143445 /nfs/dbraw/zinc/14/34/45/983143445.db2.gz HGTPJDLOQNJSMJ-QMMMGPOBSA-N -1 0 309.340 -0.953 20 0 DBADRM COC[C@@H](NC(=O)c1cc(CN2CCCC2)on1)c1nnn[n-]1 ZINC001364811731 983146526 /nfs/dbraw/zinc/14/65/26/983146526.db2.gz CHTYQDGRSANQND-LLVKDONJSA-N -1 0 321.341 -0.099 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1nnn[n-]1 ZINC001364812613 983149697 /nfs/dbraw/zinc/14/96/97/983149697.db2.gz FBGDKIJLRXKLHY-ONGXEEELSA-N -1 0 322.369 -0.206 20 0 DBADRM COC[C@@H](NC(=O)c1ccn(CC(F)F)n1)c1nnn[n-]1 ZINC001364816361 983151853 /nfs/dbraw/zinc/15/18/53/983151853.db2.gz UNNSROUZYJGHEV-SSDOTTSWSA-N -1 0 301.257 -0.221 20 0 DBADRM NC(=O)[C@H](CO)[N-]S(=O)(=O)c1occc1Br ZINC001364832652 983162661 /nfs/dbraw/zinc/16/26/61/983162661.db2.gz AVDPYUYZCCYKQD-YFKPBYRVSA-N -1 0 313.129 -0.833 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001364842234 983165622 /nfs/dbraw/zinc/16/56/22/983165622.db2.gz IRGNTUWBKXIUKT-DVVUODLYSA-N -1 0 303.322 -0.700 20 0 DBADRM O=C1NCCCN1[N-]S(=O)(=O)c1nc[nH]c1Br ZINC001364853132 983170966 /nfs/dbraw/zinc/17/09/66/983170966.db2.gz XWNLMLODNDSEKZ-UHFFFAOYSA-N -1 0 324.160 -0.219 20 0 DBADRM Cn1cc(S(=O)(=O)NCc2nc(=O)o[n-]2)c(C(C)(C)C)n1 ZINC001364857688 983171992 /nfs/dbraw/zinc/17/19/92/983171992.db2.gz GZOUZTIAPUXVEU-UHFFFAOYSA-N -1 0 315.355 -0.128 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)NCCc2nc(=O)o[n-]2)C1 ZINC001364857426 983172275 /nfs/dbraw/zinc/17/22/75/983172275.db2.gz ZJCNHTWPHHMQHC-SFYZADRCSA-N -1 0 319.339 -0.834 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](O)Cc1ccccc1F ZINC001364859652 983174188 /nfs/dbraw/zinc/17/41/88/983174188.db2.gz BWMCQFZBYFEPGI-VIFPVBQESA-N -1 0 310.285 -0.452 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)NCC1(CC(N)=O)CC1 ZINC001364886835 983185477 /nfs/dbraw/zinc/18/54/77/983185477.db2.gz JGMIHSJAAAYVSJ-UHFFFAOYSA-N -1 0 311.429 -0.016 20 0 DBADRM CC(C)O[C@]1(CS(=O)(=O)[N-]c2nnn(C)n2)CCOC1 ZINC001364914543 983196031 /nfs/dbraw/zinc/19/60/31/983196031.db2.gz ABZQRAJGPWTNNR-SNVBAGLBSA-N -1 0 305.360 -0.464 20 0 DBADRM CNC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ncc[n-]1 ZINC001364927356 983200419 /nfs/dbraw/zinc/20/04/19/983200419.db2.gz KKAPJPNZLRCEDA-VIFPVBQESA-N -1 0 301.372 -0.118 20 0 DBADRM CN(C)Cc1nc(C[N-]S(=O)(=O)N=S(C)(C)=O)co1 ZINC001364943421 983206832 /nfs/dbraw/zinc/20/68/32/983206832.db2.gz OOOYIBMLVUNLQU-UHFFFAOYSA-N -1 0 310.401 -0.202 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cnc2n[nH]cc2c1 ZINC001364999044 983226761 /nfs/dbraw/zinc/22/67/61/983226761.db2.gz ZTKCGKXXKSHIPB-UHFFFAOYSA-N -1 0 310.277 -0.019 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCO[C@@H](c2nccn2C)C1 ZINC001365055947 983244082 /nfs/dbraw/zinc/24/40/82/983244082.db2.gz GEIFTQACIWQUJD-VHSXEESVSA-N -1 0 320.357 -0.110 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N(CCCO)Cc1ccccn1 ZINC001365055823 983244236 /nfs/dbraw/zinc/24/42/36/983244236.db2.gz DDYFCKZOWVYWHU-UHFFFAOYSA-N -1 0 305.342 -0.074 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H](C(=O)OC)[C@@H]1CCOC1 ZINC001365056667 983244279 /nfs/dbraw/zinc/24/42/79/983244279.db2.gz RIIMMTOPRKPHEQ-RKDXNWHRSA-N -1 0 312.330 -0.938 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001365056729 983244723 /nfs/dbraw/zinc/24/47/23/983244723.db2.gz SRPUNNUQGBRAFD-JTQLQIEISA-N -1 0 303.326 -0.667 20 0 DBADRM O=C(c1c[n-]ncc1=O)N1CC2(C1)CC(=O)Nc1nccn12 ZINC001365138891 983272687 /nfs/dbraw/zinc/27/26/87/983272687.db2.gz GIFUHIIJEIZSOO-UHFFFAOYSA-N -1 0 300.278 -0.428 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC001365203689 983295622 /nfs/dbraw/zinc/29/56/22/983295622.db2.gz YVXVRJXNMVTOPK-VIFPVBQESA-N -1 0 312.330 -0.842 20 0 DBADRM COC[C@@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC001365395243 983363087 /nfs/dbraw/zinc/36/30/87/983363087.db2.gz NGDSIYVSTBWYNX-CQLKUDPESA-N -1 0 302.418 -0.276 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@]1(O)CCO[C@@H]1C ZINC001365406370 983366850 /nfs/dbraw/zinc/36/68/50/983366850.db2.gz QGUCGYOFEZJRCA-PRHODGIISA-N -1 0 319.335 -0.116 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@@]1(O)CCO[C@H]1C ZINC001365406374 983368933 /nfs/dbraw/zinc/36/89/33/983368933.db2.gz QGUCGYOFEZJRCA-UFBFGSQYSA-N -1 0 319.335 -0.116 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1ccc(C)nn1)C(=O)OC ZINC001365414904 983371771 /nfs/dbraw/zinc/37/17/71/983371771.db2.gz VMAJJYABSJWXPV-SECBINFHSA-N -1 0 303.340 -0.359 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@H](CO)[C@@H]1CCCOC1 ZINC001365419316 983374088 /nfs/dbraw/zinc/37/40/88/983374088.db2.gz SGNULTSUSXEPLS-RKDXNWHRSA-N -1 0 300.402 -0.664 20 0 DBADRM C[S@](=O)(=NS(=O)(=O)[N-][C@H]1CCNC1=O)c1ccccc1 ZINC001365445300 983389308 /nfs/dbraw/zinc/38/93/08/983389308.db2.gz HSKIUMJZMULGRK-APBUJDDRSA-N -1 0 317.392 -0.134 20 0 DBADRM O=C1CCCN1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC001365451815 983391671 /nfs/dbraw/zinc/39/16/71/983391671.db2.gz VDAQHFHHGLRVOC-UHFFFAOYSA-N -1 0 308.323 -0.522 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C1CC(CC(N)=O)C1 ZINC001365459061 983394882 /nfs/dbraw/zinc/39/48/82/983394882.db2.gz MQCGSXUOOKSNOU-UHFFFAOYSA-N -1 0 316.335 -0.002 20 0 DBADRM COC(=O)[C@]1(O)CCN(S(=O)(=O)c2ccccc2[O-])C1 ZINC001365457762 983395060 /nfs/dbraw/zinc/39/50/60/983395060.db2.gz SWECSPSOPLUQPY-LBPRGKRZSA-N -1 0 301.320 -0.309 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)C[C@H]2COc3ccccc3O2)n1 ZINC001365458231 983395497 /nfs/dbraw/zinc/39/54/97/983395497.db2.gz UVVIFVREKOJLMS-MRVPVSSYSA-N -1 0 311.323 -0.208 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CC2(CCC2)CO1)[C@@H](C)O ZINC001365458897 983395694 /nfs/dbraw/zinc/39/56/94/983395694.db2.gz IYWZLSDLQWCQPH-MXWKQRLJSA-N -1 0 321.395 -0.213 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC001365503268 983403973 /nfs/dbraw/zinc/40/39/73/983403973.db2.gz SJDQNHKWJDHMTJ-VHSXEESVSA-N -1 0 309.374 -0.117 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001365501585 983404600 /nfs/dbraw/zinc/40/46/00/983404600.db2.gz WKWDXSCBLSOBDF-VIFPVBQESA-N -1 0 309.374 -0.117 20 0 DBADRM CCCn1ncc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c1C ZINC001596120851 983456884 /nfs/dbraw/zinc/45/68/84/983456884.db2.gz HSDUQLQKMDLOHA-NSHDSACASA-N -1 0 308.338 -0.031 20 0 DBADRM CCCn1nccc1NC(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001596121615 983459213 /nfs/dbraw/zinc/45/92/13/983459213.db2.gz FCDKOAYUYQTDDM-CQSZACIVSA-N -1 0 324.337 -0.066 20 0 DBADRM CCCn1nnnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001596126118 983464825 /nfs/dbraw/zinc/46/48/25/983464825.db2.gz WOKJZUNVZRWSIC-GWOFURMSSA-N -1 0 322.369 -0.459 20 0 DBADRM CCN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(C)(C)C(=O)[O-] ZINC001596133087 983481205 /nfs/dbraw/zinc/48/12/05/983481205.db2.gz DRRQGNTVPMEGLU-BQYQJAHWSA-N -1 0 323.349 -0.191 20 0 DBADRM CCN(C(=O)CC(N)=O)[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001596134336 983483664 /nfs/dbraw/zinc/48/36/64/983483664.db2.gz WUAZBGKTJFAKPG-JTQLQIEISA-N -1 0 321.337 -0.523 20 0 DBADRM O=C([C@H]1CCCOCC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001365692851 983484641 /nfs/dbraw/zinc/48/46/41/983484641.db2.gz TUHRQSKQTSLESW-NSHDSACASA-N -1 0 309.370 -0.029 20 0 DBADRM COc1c(F)cccc1S(=O)(=O)NCc1nc(=O)o[n-]1 ZINC001365712181 983495118 /nfs/dbraw/zinc/49/51/18/983495118.db2.gz UUXOIDBRCQMLJA-UHFFFAOYSA-N -1 0 303.271 -0.011 20 0 DBADRM CCN(C(=O)CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1)C1CC1 ZINC001596143604 983497752 /nfs/dbraw/zinc/49/77/52/983497752.db2.gz QMLVGCVZNYXBLK-QWHCGFSZSA-N -1 0 323.393 -0.138 20 0 DBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]N2CCCC2=O)cn1 ZINC001365724943 983504163 /nfs/dbraw/zinc/50/41/63/983504163.db2.gz MAWOQVNWROJWPX-UHFFFAOYSA-N -1 0 319.364 -0.699 20 0 DBADRM Cn1[nH]c(C2CCN(S(=O)(=O)c3ncc[n-]3)CC2)nc1=N ZINC001365724953 983504291 /nfs/dbraw/zinc/50/42/91/983504291.db2.gz MTRXUMNOUSOWDB-UHFFFAOYSA-N -1 0 311.371 -0.481 20 0 DBADRM CCN1CC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC001365728444 983506691 /nfs/dbraw/zinc/50/66/91/983506691.db2.gz UIRAKEVDVOAXET-QMMMGPOBSA-N -1 0 303.340 -0.166 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2cnn(C)c2Br)n1 ZINC001365734175 983510023 /nfs/dbraw/zinc/51/00/23/983510023.db2.gz REKZLZLWJZFLSQ-UHFFFAOYSA-N -1 0 322.148 -0.493 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC[C@H]2CNC(=O)C2)on1 ZINC001365734587 983510392 /nfs/dbraw/zinc/51/03/92/983510392.db2.gz HMQMVHSXUXDJMA-SSDOTTSWSA-N -1 0 317.323 -0.734 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@@H](CO)C[C@@H]1CCCO1 ZINC001365737952 983515068 /nfs/dbraw/zinc/51/50/68/983515068.db2.gz UBYOGQLVFKICLU-BDAKNGLRSA-N -1 0 300.402 -0.522 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC(=O)c1cnn(C)c1 ZINC001365744349 983519498 /nfs/dbraw/zinc/51/94/98/983519498.db2.gz WATQPAPBXGYKEF-IBGZPJMESA-N -1 0 323.400 -0.988 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H]1CC2(CO1)CCOCC2 ZINC001365821487 983541793 /nfs/dbraw/zinc/54/17/93/983541793.db2.gz JJLSBVSNCKRZRM-JTQLQIEISA-N -1 0 310.358 -0.178 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@]1(CC(=O)OC)CCCOC1 ZINC001365821709 983541981 /nfs/dbraw/zinc/54/19/81/983541981.db2.gz LCBSTTJLBPNABS-LBPRGKRZSA-N -1 0 312.330 -0.651 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC1CCN(C(=O)OC)CC1 ZINC001365821329 983542388 /nfs/dbraw/zinc/54/23/88/983542388.db2.gz IWZQQTVVGMNCGO-UHFFFAOYSA-N -1 0 311.346 -0.285 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N(C)[C@H](C)CS(=O)(=O)CC ZINC001365821453 983543026 /nfs/dbraw/zinc/54/30/26/983543026.db2.gz JIDIQPBYWQCKGX-MRVPVSSYSA-N -1 0 304.376 -0.598 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC001365824725 983543768 /nfs/dbraw/zinc/54/37/68/983543768.db2.gz VUMDNQYKSJGGEQ-UHFFFAOYSA-N -1 0 307.358 -0.363 20 0 DBADRM O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccco1 ZINC001365952319 983607542 /nfs/dbraw/zinc/60/75/42/983607542.db2.gz KMMGTAHSPCAPFZ-UHFFFAOYSA-N -1 0 320.353 -0.349 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](NCc2nncn2C)C2CC2)c1[O-] ZINC001366035547 983665088 /nfs/dbraw/zinc/66/50/88/983665088.db2.gz QDYRZRASRJARML-JTQLQIEISA-N -1 0 319.369 -0.150 20 0 DBADRM COC[C@H](O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-] ZINC001366083771 983681649 /nfs/dbraw/zinc/68/16/49/983681649.db2.gz SIFUVJHHGKLLSJ-GRYCIOLGSA-N -1 0 324.381 -0.280 20 0 DBADRM C[C@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)NCc1ccon1 ZINC001366302666 983791806 /nfs/dbraw/zinc/79/18/06/983791806.db2.gz FEOYNOGTAKHKKQ-SECBINFHSA-N -1 0 324.341 -0.248 20 0 DBADRM CCN1CC[C@H](N(C)CCNC(=O)c2[nH]nc(C)c2[O-])C1=O ZINC001366520211 983847354 /nfs/dbraw/zinc/84/73/54/983847354.db2.gz IZRJVCKFOLGISB-JTQLQIEISA-N -1 0 309.370 -0.294 20 0 DBADRM COc1cccc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001366572070 983865452 /nfs/dbraw/zinc/86/54/52/983865452.db2.gz DDPKRDHUJGRBGP-UHFFFAOYSA-N -1 0 306.326 -0.224 20 0 DBADRM CN(CCNC(=O)COCc1ccncc1)Cc1n[nH]c(=O)[n-]1 ZINC001366574719 983865850 /nfs/dbraw/zinc/86/58/50/983865850.db2.gz DEINVDWQUKBALC-UHFFFAOYSA-N -1 0 320.353 -0.330 20 0 DBADRM COCc1nocc1C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001366581654 983868566 /nfs/dbraw/zinc/86/85/66/983868566.db2.gz ZNCYKQBDNVGNIW-UHFFFAOYSA-N -1 0 310.314 -0.494 20 0 DBADRM CN(CCNC(=O)CCN1CCCC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001366588985 983870225 /nfs/dbraw/zinc/87/02/25/983870225.db2.gz BRYXCUPTHHMYER-UHFFFAOYSA-N -1 0 310.358 -0.929 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1CC12CC2)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001533026835 1014985971 /nfs/dbraw/zinc/98/59/71/1014985971.db2.gz YWWMQKMLJITOEA-QMMMGPOBSA-N -1 0 321.337 -0.387 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001533026160 1014985998 /nfs/dbraw/zinc/98/59/98/1014985998.db2.gz MVLBKTVGRMUGPW-IUCAKERBSA-N -1 0 323.353 -0.141 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@@]1(F)CCOC1 ZINC001366670288 983897536 /nfs/dbraw/zinc/89/75/36/983897536.db2.gz SVFAJLBAKCMFJP-TVQRCGJNSA-N -1 0 313.333 -0.281 20 0 DBADRM O=C(C[C@@H]1CCC(=O)N1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366696417 983921474 /nfs/dbraw/zinc/92/14/74/983921474.db2.gz LZKXUOMSAGJCIG-ZJUUUORDSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1ccnn1CC(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366699150 983926317 /nfs/dbraw/zinc/92/63/17/983926317.db2.gz PUKPFEYPTRKVAC-NSHDSACASA-N -1 0 319.369 -0.346 20 0 DBADRM CCNC(=O)CCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366898261 984049346 /nfs/dbraw/zinc/04/93/46/984049346.db2.gz AOJCQPIEBHUIGG-JTQLQIEISA-N -1 0 324.385 -0.493 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(Cc2cncs2)C1 ZINC001366989060 984104323 /nfs/dbraw/zinc/10/43/23/984104323.db2.gz KRUGBEITLCPGTE-UHFFFAOYSA-N -1 0 324.366 -0.606 20 0 DBADRM Cc1cc(CNC[C@H](C)N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001367413035 984301940 /nfs/dbraw/zinc/30/19/40/984301940.db2.gz XIGJPXZRXPUBBE-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM CN(CCN(C)C(=O)[C@]1(C)CCNC(=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001367523376 984334046 /nfs/dbraw/zinc/33/40/46/984334046.db2.gz MVHMZFZZAJJFDZ-CQSZACIVSA-N -1 0 324.385 -0.683 20 0 DBADRM C[C@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1nccn1C ZINC001367688977 984541535 /nfs/dbraw/zinc/54/15/35/984541535.db2.gz RRCKUESFIYEJEP-SECBINFHSA-N -1 0 307.358 -0.529 20 0 DBADRM Cc1nc(CNC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)oc1C ZINC001367710731 984557984 /nfs/dbraw/zinc/55/79/84/984557984.db2.gz JTPSKIAPJVSKCK-SSDOTTSWSA-N -1 0 324.341 -0.411 20 0 DBADRM COCCOCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001490581010 1015050648 /nfs/dbraw/zinc/05/06/48/1015050648.db2.gz SRLNGVXAOQPYDJ-SNVBAGLBSA-N -1 0 313.358 -0.746 20 0 DBADRM Cc1nn(C)cc1CC(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001367801781 984630000 /nfs/dbraw/zinc/63/00/00/984630000.db2.gz FVASZIFJOYACRS-VIFPVBQESA-N -1 0 321.385 -0.269 20 0 DBADRM C[C@@H](CN(C)Cc1cscn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001367822784 984660817 /nfs/dbraw/zinc/66/08/17/984660817.db2.gz YKAMWIPOMSYOKA-ZETCQYMHSA-N -1 0 324.366 -0.010 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001367830430 984681746 /nfs/dbraw/zinc/68/17/46/984681746.db2.gz UPBXHZMPKKLPPK-ZJUUUORDSA-N -1 0 324.385 -0.494 20 0 DBADRM COc1cncc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001367839690 984688390 /nfs/dbraw/zinc/68/83/90/984688390.db2.gz XCSODOKSFXEPRI-MRVPVSSYSA-N -1 0 321.341 -0.441 20 0 DBADRM Cn1cc(C(=O)N[C@@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C2CC2)cn1 ZINC001367881000 984750010 /nfs/dbraw/zinc/75/00/10/984750010.db2.gz ADVQBRGHSROEML-JTQLQIEISA-N -1 0 305.342 -0.458 20 0 DBADRM CNC(=O)CCCC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001367943155 984809866 /nfs/dbraw/zinc/80/98/66/984809866.db2.gz PAOGOFDHMXOEAG-SECBINFHSA-N -1 0 310.358 -0.883 20 0 DBADRM Cc1noc(CCC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001367954437 984816420 /nfs/dbraw/zinc/81/64/20/984816420.db2.gz URELKWRWSAUZIU-VIFPVBQESA-N -1 0 321.341 -0.475 20 0 DBADRM O=C(NCCn1cncn1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001368150896 984887021 /nfs/dbraw/zinc/88/70/21/984887021.db2.gz BBYWWTMYKYBLBZ-VIFPVBQESA-N -1 0 306.330 -0.309 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368177450 984895557 /nfs/dbraw/zinc/89/55/57/984895557.db2.gz NACYFVZHLYNFBT-IINYFYTJSA-N -1 0 324.385 -0.494 20 0 DBADRM CC(C)(F)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368261852 984994344 /nfs/dbraw/zinc/99/43/44/984994344.db2.gz TVXAWBDXKPBOOD-LBPRGKRZSA-N -1 0 301.322 -0.689 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccncc1F ZINC001368287341 985038730 /nfs/dbraw/zinc/03/87/30/985038730.db2.gz HCUMPQFZZQJLMF-UHFFFAOYSA-N -1 0 322.300 -0.979 20 0 DBADRM CN(CCCN(C)C(=O)c1cnc[nH]c1=O)Cc1n[nH]c(=O)[n-]1 ZINC001368544391 985263585 /nfs/dbraw/zinc/26/35/85/985263585.db2.gz HVCUMKIKFOLCNY-UHFFFAOYSA-N -1 0 321.341 -0.400 20 0 DBADRM O=C(CCCF)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001368609020 985303992 /nfs/dbraw/zinc/30/39/92/985303992.db2.gz AXBIOHXIGKNZBU-ZDUSSCGKSA-N -1 0 315.349 -0.297 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CC2(O)CCC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001368760756 985399979 /nfs/dbraw/zinc/39/99/79/985399979.db2.gz AKTJRSIONFLZIR-ZJUUUORDSA-N -1 0 309.370 -0.106 20 0 DBADRM CCN1CCO[C@@H](C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001596442472 1017147390 /nfs/dbraw/zinc/14/73/90/1017147390.db2.gz LWAFZYZFOABNKQ-QWHCGFSZSA-N -1 0 307.350 -0.086 20 0 DBADRM CN(CCF)C[C@@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001368816014 985466484 /nfs/dbraw/zinc/46/64/84/985466484.db2.gz ODDIFZGRLBDXNW-VIFPVBQESA-N -1 0 301.322 -0.418 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001368956220 985598680 /nfs/dbraw/zinc/59/86/80/985598680.db2.gz BKKOEJAYLQHVFN-OPRDCNLKSA-N -1 0 319.369 -0.026 20 0 DBADRM CCNC(=O)CC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001596456335 1017148915 /nfs/dbraw/zinc/14/89/15/1017148915.db2.gz KZGGRFDLZYIGIM-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001596450440 1017148929 /nfs/dbraw/zinc/14/89/29/1017148929.db2.gz CDBYLHHLAYRLHX-VHSXEESVSA-N -1 0 315.370 -0.374 20 0 DBADRM CCNC(=O)CC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001596456701 1017148946 /nfs/dbraw/zinc/14/89/46/1017148946.db2.gz ZBSQFRPJLHETPB-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM O=C(COC1CCCC1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001369306796 985856998 /nfs/dbraw/zinc/85/69/98/985856998.db2.gz KZAITYGGWQQRBU-VIFPVBQESA-N -1 0 313.358 -0.964 20 0 DBADRM CCn1nncc1CN[C@H](CO)CNC(=O)c1ccccc1O ZINC001369313110 985865384 /nfs/dbraw/zinc/86/53/84/985865384.db2.gz XZJRCFKFNMKGJM-NSHDSACASA-N -1 0 319.365 -0.116 20 0 DBADRM CC(=O)c1c[nH]c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC001589253422 985875097 /nfs/dbraw/zinc/87/50/97/985875097.db2.gz HGIJMYMREBYYLB-JTQLQIEISA-N -1 0 314.319 -0.459 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001596450441 1017149730 /nfs/dbraw/zinc/14/97/30/1017149730.db2.gz CDBYLHHLAYRLHX-ZJUUUORDSA-N -1 0 315.370 -0.374 20 0 DBADRM C[C@@H](NC(=O)C1CCC1)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001369658133 986315790 /nfs/dbraw/zinc/31/57/90/986315790.db2.gz NWOQCYMEZHVJPK-JGVFFNPUSA-N -1 0 311.342 -0.501 20 0 DBADRM CCC(=O)NC[C@@H](C)N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001369756286 986348491 /nfs/dbraw/zinc/34/84/91/986348491.db2.gz AXLLNBVLNMYXFX-SECBINFHSA-N -1 0 320.353 -0.556 20 0 DBADRM CCC(=O)NCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369801139 986371873 /nfs/dbraw/zinc/37/18/73/986371873.db2.gz NZJKPGIKDDECBU-SECBINFHSA-N -1 0 310.358 -0.883 20 0 DBADRM C/C(=C\C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001533848147 1015220360 /nfs/dbraw/zinc/22/03/60/1015220360.db2.gz FYLGEVISLZUTRY-WHXYTISESA-N -1 0 323.353 -0.334 20 0 DBADRM CCNC(=O)N1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001596468661 1017151106 /nfs/dbraw/zinc/15/11/06/1017151106.db2.gz TTXDYLIVAZIXOF-UHFFFAOYSA-N -1 0 319.383 -0.329 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CCNC(=O)C3CC3)C2)c1[O-] ZINC001369971840 986514757 /nfs/dbraw/zinc/51/47/57/986514757.db2.gz UFGGKHNAQAZPSE-LLVKDONJSA-N -1 0 321.381 -0.246 20 0 DBADRM O=C(CO[C@H]1CCOC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369979893 986524671 /nfs/dbraw/zinc/52/46/71/986524671.db2.gz AHKADZVKJHZCRL-ZJUUUORDSA-N -1 0 311.342 -0.994 20 0 DBADRM O=C(CO[C@@H]1CCOC1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369979892 986526853 /nfs/dbraw/zinc/52/68/53/986526853.db2.gz AHKADZVKJHZCRL-VHSXEESVSA-N -1 0 311.342 -0.994 20 0 DBADRM CC(C)CC(=O)N(C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001370429289 986732040 /nfs/dbraw/zinc/73/20/40/986732040.db2.gz DAYUOZCLWANNKC-MRVPVSSYSA-N -1 0 311.342 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@]2(C)CCNC2=O)c1[O-] ZINC001534431699 1015251249 /nfs/dbraw/zinc/25/12/49/1015251249.db2.gz BIYCIODAILNKSU-JKYUHCHBSA-N -1 0 323.353 -0.816 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1cc[nH]c1 ZINC001370581956 986806500 /nfs/dbraw/zinc/80/65/00/986806500.db2.gz YZJSFTMFOZVCIN-QMMMGPOBSA-N -1 0 322.325 -0.706 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@]23C[C@H]2CCC3)c1[O-] ZINC001370681504 986880819 /nfs/dbraw/zinc/88/08/19/986880819.db2.gz ITZNUJOCHGKBPW-HFBDOXOYSA-N -1 0 322.365 -0.179 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)C2(C3CC3)CC2)c1[O-] ZINC001370690699 986890345 /nfs/dbraw/zinc/89/03/45/986890345.db2.gz YTPWMOJZBRJWCX-JTQLQIEISA-N -1 0 322.365 -0.179 20 0 DBADRM O=C(CCc1ccncc1)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001370729600 986936568 /nfs/dbraw/zinc/93/65/68/986936568.db2.gz IAUVQEHSYOKMST-NSHDSACASA-N -1 0 318.337 -0.961 20 0 DBADRM CSCC(=O)NC[C@@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001370984049 987103750 /nfs/dbraw/zinc/10/37/50/987103750.db2.gz WNBDVVFZNQEIDG-MRVPVSSYSA-N -1 0 316.383 -0.664 20 0 DBADRM CCC(=O)NCC(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001491202515 1015287506 /nfs/dbraw/zinc/28/75/06/1015287506.db2.gz DCVDLFXPHSRHMZ-SNVBAGLBSA-N -1 0 324.385 -0.493 20 0 DBADRM CCNC(=O)CN1CCC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001596462297 1017152389 /nfs/dbraw/zinc/15/23/89/1017152389.db2.gz WMRSTWYLUXKLDV-VXGBXAGGSA-N -1 0 311.382 -0.234 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2cnc3n2CCC3)c1[O-] ZINC001491231896 1015301500 /nfs/dbraw/zinc/30/15/00/1015301500.db2.gz NYPOONZMQYKDKZ-UHFFFAOYSA-N -1 0 318.337 -0.274 20 0 DBADRM CC(F)(F)C(=O)N1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001534949791 1015311415 /nfs/dbraw/zinc/31/14/15/1015311415.db2.gz HBNBKUYJMIIRRE-ZCFIWIBFSA-N -1 0 319.268 -0.938 20 0 DBADRM CC1(C(=O)N[C@H]2C[C@@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001371688527 987469926 /nfs/dbraw/zinc/46/99/26/987469926.db2.gz HRCZMHKFIYBRHX-DTORHVGOSA-N -1 0 323.353 -0.500 20 0 DBADRM CC[C@@H](C)C(=O)N1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001534952579 1015311001 /nfs/dbraw/zinc/31/10/01/1015311001.db2.gz YGAIYFOCIVDHIL-BDAKNGLRSA-N -1 0 311.342 -0.548 20 0 DBADRM CC[C@@H](C)C(=O)N1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001534952582 1015311992 /nfs/dbraw/zinc/31/19/92/1015311992.db2.gz YGAIYFOCIVDHIL-RKDXNWHRSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(F)(F)C(=O)N1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001534949790 1015312343 /nfs/dbraw/zinc/31/23/43/1015312343.db2.gz HBNBKUYJMIIRRE-LURJTMIESA-N -1 0 319.268 -0.938 20 0 DBADRM CCNC(=O)[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(C)C ZINC001596477643 1017152530 /nfs/dbraw/zinc/15/25/30/1017152530.db2.gz HFCZXFDUWQAHAG-JTQLQIEISA-N -1 0 309.388 -0.612 20 0 DBADRM Cc1cc(CCC(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001372108467 987649103 /nfs/dbraw/zinc/64/91/03/987649103.db2.gz WDRBRFNKHTYYKR-UHFFFAOYSA-N -1 0 308.342 -0.012 20 0 DBADRM Cc1nn(C)c(F)c1C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001372210356 987680201 /nfs/dbraw/zinc/68/02/01/987680201.db2.gz LSFHULOPPSRXKR-UHFFFAOYSA-N -1 0 311.321 -0.447 20 0 DBADRM CC[C@H](C)C(=O)N[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001372398838 987753315 /nfs/dbraw/zinc/75/33/15/987753315.db2.gz FIWORDYGBCJNQO-IONNQARKSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001372410749 987757460 /nfs/dbraw/zinc/75/74/60/987757460.db2.gz KGLUUAAGRAFPNN-UJNFCWOMSA-N -1 0 323.353 -0.644 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ccnn1C ZINC001372464502 987768082 /nfs/dbraw/zinc/76/80/82/987768082.db2.gz XWFVRAUPLOOVHX-UHFFFAOYSA-N -1 0 323.357 -0.939 20 0 DBADRM O=C(CN1CCCC1=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001372491037 987778258 /nfs/dbraw/zinc/77/82/58/987778258.db2.gz LLQCZFGFOBHDOZ-JTQLQIEISA-N -1 0 322.369 -0.787 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)NCCNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001491303034 1015338408 /nfs/dbraw/zinc/33/84/08/1015338408.db2.gz PAGKMBVGKOGOAL-NXEZZACHSA-N -1 0 322.365 -0.232 20 0 DBADRM O=C(Cc1cnoc1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001372658573 987837801 /nfs/dbraw/zinc/83/78/01/987837801.db2.gz SEHMBEPCVSWKGQ-SECBINFHSA-N -1 0 306.326 -0.321 20 0 DBADRM CC(=O)N1CCC[C@@H]([C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001372693333 987847483 /nfs/dbraw/zinc/84/74/83/987847483.db2.gz HROBYHJFVGEMHF-WCBMZHEXSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@H](CNC(=O)C1CCC1)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001372757248 987864499 /nfs/dbraw/zinc/86/44/99/987864499.db2.gz XSZPUFIPQBFZKF-MRVPVSSYSA-N -1 0 323.353 -0.364 20 0 DBADRM C[C@@H](CNC(=O)CC(F)(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001372800310 987884969 /nfs/dbraw/zinc/88/49/69/987884969.db2.gz VLMUQUGIHJBLCB-BYPYZUCNSA-N -1 0 323.231 -0.530 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN[C@H](C)c2nnnn2C)c1[O-] ZINC001372942730 987982603 /nfs/dbraw/zinc/98/26/03/987982603.db2.gz QZCVNBGAWXZVEI-MRVPVSSYSA-N -1 0 308.346 -0.630 20 0 DBADRM C[C@@H](CNC(=O)CC1(C)CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001372972561 988010254 /nfs/dbraw/zinc/01/02/54/988010254.db2.gz FPZNCMRCZQVBMG-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM C[C@H](CCNC(=O)C(F)F)NC(=O)c1cnc([O-])n(C)c1=O ZINC001373233218 988157949 /nfs/dbraw/zinc/15/79/49/988157949.db2.gz YDBGTDVWKDWZOZ-ZCFIWIBFSA-N -1 0 318.280 -0.624 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N[C@]1(C(=O)[O-])CCOC1)C(C)=O ZINC001596525394 1017153793 /nfs/dbraw/zinc/15/37/93/1017153793.db2.gz AYVNKNSWLTULIX-NOZJJQNGSA-N -1 0 301.295 -0.495 20 0 DBADRM CCNc1nc(C)c(C(=O)NCC(=O)NCC(=O)[O-])s1 ZINC001596504463 1017153843 /nfs/dbraw/zinc/15/38/43/1017153843.db2.gz AFBCHRJPSZKWDY-UHFFFAOYSA-N -1 0 300.340 -0.186 20 0 DBADRM CCCC(=O)NCCN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001373345145 988244630 /nfs/dbraw/zinc/24/46/30/988244630.db2.gz VVAAHXUQRXYWID-UHFFFAOYSA-N -1 0 311.342 -0.410 20 0 DBADRM CC(C)C(=O)NCCN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001373358520 988261232 /nfs/dbraw/zinc/26/12/32/988261232.db2.gz ZVKBYLRTFHYXHS-UHFFFAOYSA-N -1 0 311.342 -0.554 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@@H]2CCC(=O)N2C)c1[O-] ZINC001373402564 988314160 /nfs/dbraw/zinc/31/41/60/988314160.db2.gz WPBKJGQWCCCNTB-VIFPVBQESA-N -1 0 323.353 -0.767 20 0 DBADRM CC1(CC(=O)NCC2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)CC1 ZINC001535626980 1015383439 /nfs/dbraw/zinc/38/34/39/1015383439.db2.gz MWLXRNLPNXUFOE-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM CN(CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccc1 ZINC001373482863 988388434 /nfs/dbraw/zinc/38/84/34/988388434.db2.gz BDQXCYXUUOAKKW-UHFFFAOYSA-N -1 0 316.365 -0.053 20 0 DBADRM O=C(CCc1cncnc1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373521920 988420313 /nfs/dbraw/zinc/42/03/13/988420313.db2.gz NDRMNKPNOPGUJU-UHFFFAOYSA-N -1 0 317.353 -0.519 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@@H]1CC1(C)C ZINC001373584417 988467611 /nfs/dbraw/zinc/46/76/11/988467611.db2.gz BQNKGAZEKMPBEL-ZETCQYMHSA-N -1 0 309.326 -0.483 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)CC1(C)CC1 ZINC001373600468 988483818 /nfs/dbraw/zinc/48/38/18/988483818.db2.gz WZUAVZBWSDZKBP-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CCN(C(=O)Cc1cnc[nH]1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373710523 988562815 /nfs/dbraw/zinc/56/28/15/988562815.db2.gz XEPNARJBCALLSP-LLVKDONJSA-N -1 0 319.369 -0.101 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)NC[C@]1(C(=O)[O-])CCOC1)C(C)=O ZINC001596525325 1017154505 /nfs/dbraw/zinc/15/45/05/1017154505.db2.gz AFQRLVWSOBANSF-IINYFYTJSA-N -1 0 315.322 -0.248 20 0 DBADRM CCCC(=O)N1CCC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001374044220 988753724 /nfs/dbraw/zinc/75/37/24/988753724.db2.gz PYYRXTJXOABHJB-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM CCOCC(=O)N(C)[C@H](C)C[NH2+]Cc1cc(=O)n2[n-]ccc2n1 ZINC001374192257 988813620 /nfs/dbraw/zinc/81/36/20/988813620.db2.gz BWEZJJUNAZDYQI-LLVKDONJSA-N -1 0 321.381 -0.004 20 0 DBADRM C[C@@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)n1cccn1 ZINC001374238027 988831140 /nfs/dbraw/zinc/83/11/40/988831140.db2.gz GCFTZMYHXLYHHQ-JTQLQIEISA-N -1 0 305.342 -0.388 20 0 DBADRM CCc1ncoc1C(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597709275 988959077 /nfs/dbraw/zinc/95/90/77/988959077.db2.gz LJIBUCWQYYIJFP-BDAKNGLRSA-N -1 0 307.306 -0.102 20 0 DBADRM CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001596515810 1017155081 /nfs/dbraw/zinc/15/50/81/1017155081.db2.gz HTFLLGSLBSAWFC-LLVKDONJSA-N -1 0 321.307 -0.430 20 0 DBADRM CCc1nn(CN2CC(n3cc(C(=O)[O-])nn3)C2)c(=O)n1CC ZINC001597723112 989005829 /nfs/dbraw/zinc/00/58/29/989005829.db2.gz DUNSJMHUEFUQIZ-UHFFFAOYSA-N -1 0 321.341 -0.569 20 0 DBADRM CC[C@@H](C)CC(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001374627311 989045384 /nfs/dbraw/zinc/04/53/84/989045384.db2.gz QFLHZNHBFJHCFV-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(C)C[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001491482248 1015447514 /nfs/dbraw/zinc/44/75/14/1015447514.db2.gz JTILMRUXYPZEBJ-RKDXNWHRSA-N -1 0 323.353 -0.189 20 0 DBADRM CC(=O)N[C@](C)(C(=O)N1CC(NC(=O)c2cn[nH]n2)C1)C(C)C ZINC001374695803 989147629 /nfs/dbraw/zinc/14/76/29/989147629.db2.gz DYAZFXUSMRIXNN-AWEZNQCLSA-N -1 0 322.369 -0.704 20 0 DBADRM CC[C@@H](C)[C@@H](C)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001374726426 989172658 /nfs/dbraw/zinc/17/26/58/989172658.db2.gz MDXAYSMTSJFBHW-HTQZYQBOSA-N -1 0 323.353 -0.094 20 0 DBADRM CCC(=O)NCC1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001374780795 989209375 /nfs/dbraw/zinc/20/93/75/989209375.db2.gz NNGDUINFNSIQMR-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(C3CCOCC3)nn2)C[C@@H](C(=O)[O-])O1 ZINC001599863863 989211793 /nfs/dbraw/zinc/21/17/93/989211793.db2.gz FBDLYZGGHVKDDC-SKDRFNHKSA-N -1 0 324.337 -0.056 20 0 DBADRM C[C@@H]1CN(C(=S)NCCNS(C)(=O)=O)C[C@H]1CC(=O)[O-] ZINC001599864384 989219654 /nfs/dbraw/zinc/21/96/54/989219654.db2.gz BIMGRSMPJCWWIP-RKDXNWHRSA-N -1 0 323.440 -0.547 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)CC(=O)N2CCC2)c1[O-] ZINC001375014508 989363952 /nfs/dbraw/zinc/36/39/52/989363952.db2.gz BRKKTVKCSHBZCY-SECBINFHSA-N -1 0 309.370 -0.294 20 0 DBADRM COc1cc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)on1 ZINC001375025269 989370784 /nfs/dbraw/zinc/37/07/84/989370784.db2.gz AJLJHIGXQJNEFN-ZETCQYMHSA-N -1 0 310.314 -0.243 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cnc[nH]c1=O ZINC001375052183 989391075 /nfs/dbraw/zinc/39/10/75/989391075.db2.gz STXGWSGJXGKQGB-ZETCQYMHSA-N -1 0 307.314 -0.744 20 0 DBADRM C[C@@H]1C[C@H](C(=O)Nc2cnn(CC(=O)N(C)C)c2)O[C@H]1C(=O)[O-] ZINC001599876571 989426474 /nfs/dbraw/zinc/42/64/74/989426474.db2.gz BLXBLAWFOLNNQC-HLUHBDAQSA-N -1 0 324.337 -0.212 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1=CCCC1 ZINC001375169551 989466100 /nfs/dbraw/zinc/46/61/00/989466100.db2.gz HVOBEUXJIOKHOE-SNVBAGLBSA-N -1 0 323.353 -0.189 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H](F)CC ZINC001375170943 989467036 /nfs/dbraw/zinc/46/70/36/989467036.db2.gz PNDJKNYQLWGBDL-RQJHMYQMSA-N -1 0 315.305 -0.345 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001375370205 989577528 /nfs/dbraw/zinc/57/75/28/989577528.db2.gz WDYFLUVRQTWQDH-SECBINFHSA-N -1 0 305.342 -0.525 20 0 DBADRM CC(=O)NC[C@]1(C)CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001537168174 1015489721 /nfs/dbraw/zinc/48/97/21/1015489721.db2.gz XPEAUVFBBNLPTN-HNNXBMFYSA-N -1 0 322.365 -0.136 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375713519 989762765 /nfs/dbraw/zinc/76/27/65/989762765.db2.gz WZRUFDJQTKPIOV-JTQLQIEISA-N -1 0 310.358 -0.932 20 0 DBADRM CN(C(=O)CCc1cn[nH]c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375712184 989764558 /nfs/dbraw/zinc/76/45/58/989764558.db2.gz PDPDQYGAEOVLJT-UHFFFAOYSA-N -1 0 305.342 -0.491 20 0 DBADRM CC1(C)CC(C(=O)NC[C@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001376037958 989851304 /nfs/dbraw/zinc/85/13/04/989851304.db2.gz PCCVECACFDSKQX-OAHLLOKOSA-N -1 0 323.397 -0.001 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376158175 989920850 /nfs/dbraw/zinc/92/08/50/989920850.db2.gz XTZPUCMSIGBZGT-SECBINFHSA-N -1 0 324.385 -0.637 20 0 DBADRM CCOC(=O)CCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001540159213 1015521101 /nfs/dbraw/zinc/52/11/01/1015521101.db2.gz IRVQIVUIYBMIHG-UHFFFAOYSA-N -1 0 300.315 -0.071 20 0 DBADRM CCCCC(=O)N(C)CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001376220104 989960682 /nfs/dbraw/zinc/96/06/82/989960682.db2.gz KBFRWVTXDSHLKX-UHFFFAOYSA-N -1 0 313.358 -0.204 20 0 DBADRM C[C@@H]1CC[C@H](CC(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001376231233 989967897 /nfs/dbraw/zinc/96/78/97/989967897.db2.gz XLULRQVQVZQVTB-MNOVXSKESA-N -1 0 323.397 -0.001 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)c2cnon2)c1[O-] ZINC001376247478 989979722 /nfs/dbraw/zinc/97/97/22/989979722.db2.gz DAEIHROKZXCKRW-UHFFFAOYSA-N -1 0 308.298 -0.349 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)c1c[n-]n2c1nccc2=O ZINC001540617648 1015526650 /nfs/dbraw/zinc/52/66/50/1015526650.db2.gz SGJLFWQGDWSBHN-UHFFFAOYSA-N -1 0 313.321 -0.168 20 0 DBADRM CC(C)C[C@]1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CCNC1=O ZINC001542946187 1015532893 /nfs/dbraw/zinc/53/28/93/1015532893.db2.gz KZJGVCCXBAMHEP-QMTHXVAHSA-N -1 0 322.369 -0.348 20 0 DBADRM C=CC(=O)NCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001542901868 1015533577 /nfs/dbraw/zinc/53/35/77/1015533577.db2.gz MFJCSOBGXQXOCY-UHFFFAOYSA-N -1 0 301.310 -0.893 20 0 DBADRM O=C(NCc1nnc2n1CCCC2)c1c[n-]n2c1nccc2=O ZINC001543038377 1015536622 /nfs/dbraw/zinc/53/66/22/1015536622.db2.gz CRMJVZJXROQPOJ-UHFFFAOYSA-N -1 0 313.321 -0.120 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCCN2C(=O)CCC2=O)cc1=O ZINC001543771117 1015541438 /nfs/dbraw/zinc/54/14/38/1015541438.db2.gz QDVRMPIACXHIRW-UHFFFAOYSA-N -1 0 322.365 -0.360 20 0 DBADRM CC(C)(C)OC(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001544303701 1015543933 /nfs/dbraw/zinc/54/39/33/1015543933.db2.gz MLGQQYBHJJTAMU-UHFFFAOYSA-N -1 0 301.303 -0.670 20 0 DBADRM O=C(CC1CCC1)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001491649784 1015546153 /nfs/dbraw/zinc/54/61/53/1015546153.db2.gz WDBOOTMMXCXRCE-UHFFFAOYSA-N -1 0 309.326 -0.291 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)c1ccon1 ZINC001376780448 990317695 /nfs/dbraw/zinc/31/76/95/990317695.db2.gz AAXIRQHYLZPHIU-SSDOTTSWSA-N -1 0 321.293 -0.978 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1CC(C)C1 ZINC001376843401 990346210 /nfs/dbraw/zinc/34/62/10/990346210.db2.gz KPKBZPAONINPMV-HWOCKDDLSA-N -1 0 322.365 -0.234 20 0 DBADRM Cc1cc(C)n(CC(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001377188460 990475348 /nfs/dbraw/zinc/47/53/48/990475348.db2.gz BTJRVOZQZIBMSO-UHFFFAOYSA-N -1 0 307.358 -0.428 20 0 DBADRM CCC(=O)NC[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001377228160 990493999 /nfs/dbraw/zinc/49/39/99/990493999.db2.gz OIAULELSYJTOAY-MRVPVSSYSA-N -1 0 306.326 -0.898 20 0 DBADRM CCc1cc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001377238710 990497714 /nfs/dbraw/zinc/49/77/14/990497714.db2.gz VMJJPPMAYDVQIW-UHFFFAOYSA-N -1 0 307.358 -0.332 20 0 DBADRM CCN(CCNC(=O)c1c[nH]c(C)cc1=O)Cc1n[nH]c(=O)[n-]1 ZINC001377356736 990544863 /nfs/dbraw/zinc/54/48/63/990544863.db2.gz SMFIRKYHLUJPBK-UHFFFAOYSA-N -1 0 320.353 -0.241 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1nocc1C ZINC001377363674 990550405 /nfs/dbraw/zinc/55/04/05/990550405.db2.gz VCVDRAKIVQXMIO-UHFFFAOYSA-N -1 0 324.341 -0.376 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1CC(=O)N(C)C1)Cc1n[nH]c(=O)[n-]1 ZINC001377492076 990629022 /nfs/dbraw/zinc/62/90/22/990629022.db2.gz LAUGKZLLELZGSL-SNVBAGLBSA-N -1 0 324.385 -0.683 20 0 DBADRM Cn1cc(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)nn1 ZINC001377525187 990640049 /nfs/dbraw/zinc/64/00/49/990640049.db2.gz BOWPKIBRKFPXTJ-UHFFFAOYSA-N -1 0 306.330 -0.967 20 0 DBADRM C[C@@H](C(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1CC1 ZINC001377552668 990651947 /nfs/dbraw/zinc/65/19/47/990651947.db2.gz UKSUOAVSKUUIHY-SNVBAGLBSA-N -1 0 323.397 -0.001 20 0 DBADRM CCCN(C(=O)CNC(C)=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001377640216 990682858 /nfs/dbraw/zinc/68/28/58/990682858.db2.gz FASQOZCDWQGVPY-NSHDSACASA-N -1 0 324.385 -0.541 20 0 DBADRM C[C@@H](CNC(=O)c1ccsc1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001377850671 990754977 /nfs/dbraw/zinc/75/49/77/990754977.db2.gz HGKOZLZIAPDEKK-LURJTMIESA-N -1 0 323.334 -0.107 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CC12CC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001377851289 990758066 /nfs/dbraw/zinc/75/80/66/990758066.db2.gz KHBHTLWZGBAAGW-NKWVEPMBSA-N -1 0 307.310 -0.683 20 0 DBADRM CCOC(=O)[C@H](N)C(=O)NC[C@H](Cc1ccncc1)C(=O)[O-] ZINC001596536273 1017157252 /nfs/dbraw/zinc/15/72/52/1017157252.db2.gz WGCWLYGFNCHRGW-WDEREUQCSA-N -1 0 309.322 -0.669 20 0 DBADRM Cc1noc(C)c1CC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378029223 990832362 /nfs/dbraw/zinc/83/23/62/990832362.db2.gz WLVCVIQVZQPTCL-UHFFFAOYSA-N -1 0 320.353 -0.094 20 0 DBADRM CCN(C)C(=O)CN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001378053671 990839614 /nfs/dbraw/zinc/83/96/14/990839614.db2.gz QMCBJBFCQDVNDM-JTQLQIEISA-N -1 0 309.370 -0.294 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378151328 990869461 /nfs/dbraw/zinc/86/94/61/990869461.db2.gz PTJNZZKFYWNZBE-NXEZZACHSA-N -1 0 324.385 -0.542 20 0 DBADRM CC1(C(=O)N2CC[C@@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001378474900 990983465 /nfs/dbraw/zinc/98/34/65/990983465.db2.gz NPPMPMTULQSFGA-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM COC[C@H](OC)C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378539431 991021491 /nfs/dbraw/zinc/02/14/91/991021491.db2.gz MWPRBUDLUFNHOR-WPRPVWTQSA-N -1 0 313.358 -0.892 20 0 DBADRM O=C(Cc1ccoc1)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001378659242 991090986 /nfs/dbraw/zinc/09/09/86/991090986.db2.gz NXNOMINMWLJLRC-LLVKDONJSA-N -1 0 321.337 -0.337 20 0 DBADRM CC1CC(C(=O)NCC2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)C1 ZINC001378711653 991123755 /nfs/dbraw/zinc/12/37/55/991123755.db2.gz AOQKQQXNSLPDEF-UHFFFAOYSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@@H](CNCc1ccon1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001378795098 991183883 /nfs/dbraw/zinc/18/38/83/991183883.db2.gz FQOISWABNUVENR-ZETCQYMHSA-N -1 0 308.298 -0.479 20 0 DBADRM CNC(=O)CCCC(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001379044933 991301639 /nfs/dbraw/zinc/30/16/39/991301639.db2.gz UUZIRHSVLMLWSD-UHFFFAOYSA-N -1 0 312.374 -0.683 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)Cc1n[nH]c(=O)[n-]1 ZINC001379062011 991310604 /nfs/dbraw/zinc/31/06/04/991310604.db2.gz GUWWJRONAJDNLI-NXEZZACHSA-N -1 0 319.369 -0.073 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN[C@H](C)c2ncccn2)c1[O-] ZINC001379184048 991393804 /nfs/dbraw/zinc/39/38/04/991393804.db2.gz CTIHGGYZHOKNMZ-ZJUUUORDSA-N -1 0 320.353 -0.345 20 0 DBADRM CCOC(=O)[C@H](O)Cn1cc(CN2CCC[C@H]2C(=O)[O-])nn1 ZINC001596545414 1017158139 /nfs/dbraw/zinc/15/81/39/1017158139.db2.gz ZLDYRNSDIXOKCK-WDEREUQCSA-N -1 0 312.326 -0.749 20 0 DBADRM CSC[C@H](C)C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001379365481 991589373 /nfs/dbraw/zinc/58/93/73/991589373.db2.gz DRSAPNYGNHJXJL-JGVFFNPUSA-N -1 0 303.388 -0.924 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)NC1(C(=O)[O-])CC(CO)C1)C(C)=O ZINC001596527029 1017158624 /nfs/dbraw/zinc/15/86/24/1017158624.db2.gz TYWAWDHMGCNESI-XIRUVYRFSA-N -1 0 315.322 -0.513 20 0 DBADRM CCc1nocc1CN[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001379407539 991641301 /nfs/dbraw/zinc/64/13/01/991641301.db2.gz ZRFCVCMJHRUQBS-JTQLQIEISA-N -1 0 323.353 -0.145 20 0 DBADRM CC/C=C(/C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001491862455 1015657886 /nfs/dbraw/zinc/65/78/86/1015657886.db2.gz OXRVXWBPLILWLE-USYJTPIQSA-N -1 0 321.337 -0.030 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001596576179 1017159416 /nfs/dbraw/zinc/15/94/16/1017159416.db2.gz OGCWTGDHMKERRK-BBBLOLIVSA-N -1 0 320.367 -0.431 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)Cc2cn(C)nn2)c1[O-] ZINC001379640424 991831486 /nfs/dbraw/zinc/83/14/86/991831486.db2.gz HXJALDWQLDIIDM-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM Cc1nnc(CC(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)[nH]1 ZINC001379656655 991839499 /nfs/dbraw/zinc/83/94/99/991839499.db2.gz LDJUNFZSEGUGET-SSDOTTSWSA-N -1 0 308.346 -0.884 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H](C)n1cncn1 ZINC001379658406 991839678 /nfs/dbraw/zinc/83/96/78/991839678.db2.gz PRDDQMZKQUHKEV-RKDXNWHRSA-N -1 0 308.346 -0.701 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cc2n(n1)CCO2 ZINC001379673757 991844200 /nfs/dbraw/zinc/84/42/00/991844200.db2.gz AEAAIALPKVCCSR-MRVPVSSYSA-N -1 0 321.341 -0.651 20 0 DBADRM C[C@@H](CN(C)Cc1nccn1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001379700650 991855434 /nfs/dbraw/zinc/85/54/34/991855434.db2.gz AGJRIJBTXBLPBW-QMMMGPOBSA-N -1 0 321.341 -0.733 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001379731120 991869893 /nfs/dbraw/zinc/86/98/93/991869893.db2.gz BSPAMGFZARIVBS-SCZZXKLOSA-N -1 0 312.374 -0.639 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCCn1cncn1 ZINC001379765680 991891865 /nfs/dbraw/zinc/89/18/65/991891865.db2.gz HCNALTHLJWXVDH-SNVBAGLBSA-N -1 0 322.373 -0.481 20 0 DBADRM C[C@@]1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(C(=O)C2CC2)C1 ZINC001379779403 991906497 /nfs/dbraw/zinc/90/64/97/991906497.db2.gz DYCWFFIVCSKLNR-AWEZNQCLSA-N -1 0 321.337 -0.339 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCN1CCCC1=O ZINC001379787209 991910898 /nfs/dbraw/zinc/91/08/98/991910898.db2.gz IRKZJPYBBSLZBY-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1ccc(=O)[nH]c1 ZINC001379788902 991911914 /nfs/dbraw/zinc/91/19/14/991911914.db2.gz OXFZSETVGWBOAX-QMMMGPOBSA-N -1 0 306.326 -0.139 20 0 DBADRM Cc1conc1CN(C)C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001379792309 991912267 /nfs/dbraw/zinc/91/22/67/991912267.db2.gz WIVIRKJMBQCOTQ-VIFPVBQESA-N -1 0 324.341 -0.378 20 0 DBADRM CCC(=O)NC[C@]1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001379888016 992008474 /nfs/dbraw/zinc/00/84/74/992008474.db2.gz SRRRCDVEQMKLDZ-ZDUSSCGKSA-N -1 0 309.326 -0.339 20 0 DBADRM COCCC(=O)NC[C@@H]1CCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC001379933813 992039568 /nfs/dbraw/zinc/03/95/68/992039568.db2.gz FXRKDCICNPTBPN-LBPRGKRZSA-N -1 0 319.365 -0.250 20 0 DBADRM CO[C@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC001380237583 992209792 /nfs/dbraw/zinc/20/97/92/992209792.db2.gz QCLSANADLAXDHR-LBPRGKRZSA-N -1 0 309.370 -0.032 20 0 DBADRM Cn1nccc1[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC(=O)N1C ZINC001549040433 1015693091 /nfs/dbraw/zinc/69/30/91/1015693091.db2.gz PGOBREKQMGYHBV-XBWDGYHZSA-N -1 0 306.322 -0.471 20 0 DBADRM Cn1nccc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001549040483 1015693337 /nfs/dbraw/zinc/69/33/37/1015693337.db2.gz ROLWEEHQDOCMGA-KIKITERTSA-N -1 0 306.322 -0.423 20 0 DBADRM CCOC(=O)[C@H]1CN([C@H](CCC(=O)OC)C(=O)[O-])CCO1 ZINC001596585061 1017161149 /nfs/dbraw/zinc/16/11/49/1017161149.db2.gz FEJBFPNLDUOHSH-NXEZZACHSA-N -1 0 303.311 -0.343 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2cnnn2C)c1[O-] ZINC001380439947 992316384 /nfs/dbraw/zinc/31/63/84/992316384.db2.gz VBNTVTKWAGEJFI-BQBZGAKWSA-N -1 0 321.341 -0.511 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccc1 ZINC001380510748 992342062 /nfs/dbraw/zinc/34/20/62/992342062.db2.gz FYINWRNMBJFGDD-OAHLLOKOSA-N -1 0 317.349 -0.123 20 0 DBADRM CC(F)(F)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380521769 992352163 /nfs/dbraw/zinc/35/21/63/992352163.db2.gz PECMDNSOTOHXNK-NSHDSACASA-N -1 0 305.285 -0.782 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380533715 992365289 /nfs/dbraw/zinc/36/52/89/992365289.db2.gz CMAQMUGPXTZSBJ-YMTOWFKASA-N -1 0 309.370 -0.391 20 0 DBADRM Cc1cccnc1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380583037 992416704 /nfs/dbraw/zinc/41/67/04/992416704.db2.gz PWNWPULLHJXTGS-UHFFFAOYSA-N -1 0 318.337 -0.810 20 0 DBADRM CCC(C)(C)CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380592824 992421881 /nfs/dbraw/zinc/42/18/81/992421881.db2.gz ARYKOOHFLJUYKX-UHFFFAOYSA-N -1 0 311.386 -0.001 20 0 DBADRM C[C@H](C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C(C)(F)F ZINC001380615442 992438641 /nfs/dbraw/zinc/43/86/41/992438641.db2.gz QLBHAUWMDROOQS-SSDOTTSWSA-N -1 0 319.312 -0.536 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCC(=O)N[C@@H]2c2cncn2C)c1[O-] ZINC001549169465 1015708972 /nfs/dbraw/zinc/70/89/72/1015708972.db2.gz ZIBLJLMXHJNOMX-KWQFWETISA-N -1 0 318.337 -0.093 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C[C@@H]1C(=O)N1CCOCC1 ZINC001549172330 1015709416 /nfs/dbraw/zinc/70/94/16/1015709416.db2.gz KIAATDLPGXPOSI-WYUUTHIRSA-N -1 0 310.350 -0.340 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001549219216 1015710619 /nfs/dbraw/zinc/71/06/19/1015710619.db2.gz AXBPTPAJZPOROH-LKFCYVNXSA-N -1 0 307.306 -0.703 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)CCn1ccccc1=O)C2 ZINC001549218648 1015710648 /nfs/dbraw/zinc/71/06/48/1015710648.db2.gz CDLKNIUBHKZCLY-XHDPSFHLSA-N -1 0 306.318 -0.202 20 0 DBADRM CC[C@H](C(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1)N1CCCC1=O ZINC001549220154 1015712095 /nfs/dbraw/zinc/71/20/95/1015712095.db2.gz FJKVREFHVLGSDU-HFAKWTLXSA-N -1 0 310.350 -0.053 20 0 DBADRM CC[C@H](C(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1)N1CCCC1=O ZINC001549220153 1015712151 /nfs/dbraw/zinc/71/21/51/1015712151.db2.gz FJKVREFHVLGSDU-FIXISWKDSA-N -1 0 310.350 -0.053 20 0 DBADRM Cc1ccn(CC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c(=O)c1 ZINC001549219787 1015712410 /nfs/dbraw/zinc/71/24/10/1015712410.db2.gz CPJNNVPOVIRLQP-NHYWBVRUSA-N -1 0 306.318 -0.284 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1nccn3ccnc13)C2 ZINC001549223372 1015712435 /nfs/dbraw/zinc/71/24/35/1015712435.db2.gz OQGLZNAXZBZRAN-XPTSAGLGSA-N -1 0 302.290 -0.098 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549227419 1015712568 /nfs/dbraw/zinc/71/25/68/1015712568.db2.gz CJEDSKXYPZFYBI-NHYWBVRUSA-N -1 0 323.349 -0.025 20 0 DBADRM NC(=O)c1cccc(C(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC001549225156 1015712814 /nfs/dbraw/zinc/71/28/14/1015712814.db2.gz SFYYZTSPJLENHB-XHDPSFHLSA-N -1 0 304.302 -0.041 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC001549227804 1015712835 /nfs/dbraw/zinc/71/28/35/1015712835.db2.gz FRWSSVQWOORCRD-LKFCYVNXSA-N -1 0 323.353 -0.470 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)c1cn3cccnc3n1)C2 ZINC001549224520 1015713311 /nfs/dbraw/zinc/71/33/11/1015713311.db2.gz RAGCFXJMRSFQBZ-OTYXRUKQSA-N -1 0 302.290 -0.098 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549219698 1015713498 /nfs/dbraw/zinc/71/34/98/1015713498.db2.gz KZZITMVODNFVPY-YHAQOWFVSA-N -1 0 322.317 -0.043 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001596594650 1017162073 /nfs/dbraw/zinc/16/20/73/1017162073.db2.gz LWMUHQKBZDTGFL-PKFCDNJMSA-N -1 0 315.322 -0.750 20 0 DBADRM NC(=O)c1cc(Cl)nnc1N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549300562 1015719458 /nfs/dbraw/zinc/71/94/58/1015719458.db2.gz YCPVEQSTOMXZCW-INWYIAFRSA-N -1 0 312.713 -0.234 20 0 DBADRM CN(CCCN(C)C(=O)[C@]1(C)CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001380967448 992612479 /nfs/dbraw/zinc/61/24/79/992612479.db2.gz AMOLHZRYSMIKDA-AWEZNQCLSA-N -1 0 324.385 -0.541 20 0 DBADRM CN(CCCN(C)C(=O)C[C@@H]1CCNC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001380977393 992617750 /nfs/dbraw/zinc/61/77/50/992617750.db2.gz DYFQRHOSMCLXRK-JTQLQIEISA-N -1 0 324.385 -0.683 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 ZINC001549305965 1015721397 /nfs/dbraw/zinc/72/13/97/1015721397.db2.gz NAESCLGYOKGNOR-LKFCYVNXSA-N -1 0 302.290 -0.098 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)Cc1nc3ncccn3n1)C2 ZINC001549306116 1015721521 /nfs/dbraw/zinc/72/15/21/1015721521.db2.gz PIVKWRRNIWSBLE-XPTSAGLGSA-N -1 0 317.305 -0.774 20 0 DBADRM Cc1ccnc2nc(C(=O)N3C[C@@H]4COC[C@@]4(C(=O)[O-])C3)nn21 ZINC001549306827 1015721653 /nfs/dbraw/zinc/72/16/53/1015721653.db2.gz VRMNQTHKRPTUOD-OTYXRUKQSA-N -1 0 317.305 -0.394 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1ccc3nnnn3c1)C2 ZINC001549306021 1015722584 /nfs/dbraw/zinc/72/25/84/1015722584.db2.gz NXJPUHYTYXTTAK-ZANVPECISA-N -1 0 303.278 -0.703 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC001549307000 1015722592 /nfs/dbraw/zinc/72/25/92/1015722592.db2.gz YLJSBKMDEBZWQC-PKFCDNJMSA-N -1 0 311.338 -0.663 20 0 DBADRM CC(=O)N[C@H](CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C(C)C ZINC001381035809 992636083 /nfs/dbraw/zinc/63/60/83/992636083.db2.gz WCIHLTNPBDQXJH-SECBINFHSA-N -1 0 311.342 -0.094 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C(C)(C)C1 ZINC001381270917 992738093 /nfs/dbraw/zinc/73/80/93/992738093.db2.gz DDLYDCDUZCIEFA-SNVBAGLBSA-N -1 0 323.353 -0.412 20 0 DBADRM CCNC(=O)CCC(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381505409 992817772 /nfs/dbraw/zinc/81/77/72/992817772.db2.gz WXVDYNNROZVXLV-VIFPVBQESA-N -1 0 312.374 -0.637 20 0 DBADRM CCOc1cc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001381529475 992828797 /nfs/dbraw/zinc/82/87/97/992828797.db2.gz GLUTVQBBCODYJI-QMMMGPOBSA-N -1 0 323.357 -0.118 20 0 DBADRM COc1cc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)nn1C ZINC001381542974 992833109 /nfs/dbraw/zinc/83/31/09/992833109.db2.gz IFEKZEWOKYHXFV-MRVPVSSYSA-N -1 0 323.357 -0.497 20 0 DBADRM Cc1ncc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1C ZINC001381569138 992839627 /nfs/dbraw/zinc/83/96/27/992839627.db2.gz FQJRTNPRPSSIOB-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CCO)CN(C[C@H]3CCOC3)C2)c1[O-] ZINC001381658157 992860539 /nfs/dbraw/zinc/86/05/39/992860539.db2.gz GLXFWOUFBHWJJC-LLVKDONJSA-N -1 0 324.381 -0.373 20 0 DBADRM CCC(=O)N(C)[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001381671437 992862927 /nfs/dbraw/zinc/86/29/27/992862927.db2.gz LHIDTYAVSJTDNP-LLVKDONJSA-N -1 0 322.365 -0.137 20 0 DBADRM CCNC(=O)CCC(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381767818 992876128 /nfs/dbraw/zinc/87/61/28/992876128.db2.gz DBYLCWBIWQRARC-VIFPVBQESA-N -1 0 324.385 -0.637 20 0 DBADRM C[C@H](NC(=O)CCn1ccnn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381787010 992880886 /nfs/dbraw/zinc/88/08/86/992880886.db2.gz GCLSVHNELOJIQO-VIFPVBQESA-N -1 0 320.357 -0.871 20 0 DBADRM C[C@@H](CN(C)C(=O)C(C)(C)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001381808024 992885964 /nfs/dbraw/zinc/88/59/64/992885964.db2.gz OAPFJPGJYPNWGK-LURJTMIESA-N -1 0 315.305 -0.392 20 0 DBADRM C[C@@H](CN(C)C(=O)C(C)(C)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001381811943 992887900 /nfs/dbraw/zinc/88/79/00/992887900.db2.gz OFJXCYAMDDMBGC-ZETCQYMHSA-N -1 0 317.321 -0.600 20 0 DBADRM CCCCC(=O)N(C)C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001381850125 992898679 /nfs/dbraw/zinc/89/86/79/992898679.db2.gz OUDNHVPXPPVSKR-VIFPVBQESA-N -1 0 313.358 -0.157 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)Cc2ncc[nH]2)c1[O-] ZINC001381950371 992935118 /nfs/dbraw/zinc/93/51/18/992935118.db2.gz UPRCKGFLRCHDIF-MRVPVSSYSA-N -1 0 320.353 -0.034 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)c2cnnn2C)c1[O-] ZINC001381960651 992937936 /nfs/dbraw/zinc/93/79/36/992937936.db2.gz KSINBGSFXYTYJL-ZETCQYMHSA-N -1 0 321.341 -0.557 20 0 DBADRM CC(C)CC(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001382115403 992994901 /nfs/dbraw/zinc/99/49/01/992994901.db2.gz DTIFVZRZWULGRR-MRVPVSSYSA-N -1 0 311.342 -0.094 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CCC1 ZINC001382123357 992996308 /nfs/dbraw/zinc/99/63/08/992996308.db2.gz PZUWASKMLVOQNU-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001382120749 992997801 /nfs/dbraw/zinc/99/78/01/992997801.db2.gz LXMVPKXLWYWWRT-RNFRBKRXSA-N -1 0 315.305 -0.392 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC001596595340 1017163037 /nfs/dbraw/zinc/16/30/37/1017163037.db2.gz SVGCKDFCIPZJMG-BDAKNGLRSA-N -1 0 305.352 -0.281 20 0 DBADRM CC(C)=CC(=O)NCCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001492266958 1015755923 /nfs/dbraw/zinc/75/59/23/1015755923.db2.gz ISFJVRWZLXVUND-UHFFFAOYSA-N -1 0 309.326 -0.173 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCC12CC2 ZINC001382217960 993064689 /nfs/dbraw/zinc/06/46/89/993064689.db2.gz SUGGMKJMXZLGNO-UWVGGRQHSA-N -1 0 309.370 -0.343 20 0 DBADRM C[C@@H](C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccco1 ZINC001382242044 993081832 /nfs/dbraw/zinc/08/18/32/993081832.db2.gz DECROGUIADAXDN-RKDXNWHRSA-N -1 0 309.326 -0.526 20 0 DBADRM CCO[C@H](C)C(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001382342038 993161446 /nfs/dbraw/zinc/16/14/46/993161446.db2.gz XPJLPTICHXQSBS-RKDXNWHRSA-N -1 0 314.342 -0.944 20 0 DBADRM Cc1nn(C)cc1CC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001492284938 1015764870 /nfs/dbraw/zinc/76/48/70/1015764870.db2.gz PHXUGLVNGODXQB-UHFFFAOYSA-N -1 0 307.358 -0.657 20 0 DBADRM C[C@@H](CNC(=O)C1CCC1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001382886467 993435812 /nfs/dbraw/zinc/43/58/12/993435812.db2.gz GDDBHDTVMVSNPQ-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)c2cn(C)nn2)c1[O-] ZINC001382965929 993474364 /nfs/dbraw/zinc/47/43/64/993474364.db2.gz TYZQVUMZHXNORT-SSDOTTSWSA-N -1 0 321.341 -0.557 20 0 DBADRM CO[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001383378599 993636765 /nfs/dbraw/zinc/63/67/65/993636765.db2.gz YTVYTBUSTMAPNJ-DBIOUOCHSA-N -1 0 322.365 -0.107 20 0 DBADRM CCOC(=O)NCC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001596659358 1017165497 /nfs/dbraw/zinc/16/54/97/1017165497.db2.gz PRKXXWLGLHEJFD-MRVPVSSYSA-N -1 0 311.298 -0.504 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C3CC(O)C3)CC2)C1 ZINC001550341075 1015802589 /nfs/dbraw/zinc/80/25/89/1015802589.db2.gz JUYWPWGHGIYTLA-SQLBVSGCSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])[C@@H]1Cn2cnnc2CN1C(=O)[C@@H]1OC[C@@H]2CCC[C@H]21 ZINC001550338673 1015802880 /nfs/dbraw/zinc/80/28/80/1015802880.db2.gz AWVFKXVNNAQJPK-MIZYBKAJSA-N -1 0 306.322 -0.111 20 0 DBADRM CC(C)N1C(=O)CC[C@@H]1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001550346615 1015803075 /nfs/dbraw/zinc/80/30/75/1015803075.db2.gz RFELUQMSXGMXEP-UEKVPHQBSA-N -1 0 310.350 -0.055 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001383877825 993800632 /nfs/dbraw/zinc/80/06/32/993800632.db2.gz LJQZHPRULVEWTB-VXNVDRBHSA-N -1 0 314.342 -0.944 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001492466685 1015808489 /nfs/dbraw/zinc/80/84/89/1015808489.db2.gz JBDQRSDGWJQWNU-HTQZYQBOSA-N -1 0 309.326 -0.483 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)CC(F)(F)F)c1[O-] ZINC001383915736 993836983 /nfs/dbraw/zinc/83/69/83/993836983.db2.gz ZTOYIMNUIIXEDZ-ZCFIWIBFSA-N -1 0 324.259 -0.417 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@@H](F)C(C)C)c1[O-] ZINC001383985909 993884251 /nfs/dbraw/zinc/88/42/51/993884251.db2.gz HKMOPHZSMMDNFP-BDAKNGLRSA-N -1 0 316.333 -0.375 20 0 DBADRM CCO[C@H](C(=O)NC1(C(=O)[O-])CC(CO)C1)[C@@H]1CCOC1 ZINC001596762592 1017167070 /nfs/dbraw/zinc/16/70/70/1017167070.db2.gz VZGDFRAOXSYGQF-PYUIQPRZSA-N -1 0 301.339 -0.230 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[n-]ncc2=O)C[C@@H]1C(=O)N1CCOCC1 ZINC001550832826 1015814553 /nfs/dbraw/zinc/81/45/53/1015814553.db2.gz OSXXARBDNRIMJW-PWSUYJOCSA-N -1 0 320.349 -0.251 20 0 DBADRM CN(CCNC(=O)c1ncc2n1CCCC2)Cc1n[nH]c(=O)[n-]1 ZINC001492862703 1015820080 /nfs/dbraw/zinc/82/00/80/1015820080.db2.gz IIDMGTNQUMESRJ-UHFFFAOYSA-N -1 0 319.369 -0.095 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001384089021 993956331 /nfs/dbraw/zinc/95/63/31/993956331.db2.gz VYNBYPQVJHKPNQ-WPRPVWTQSA-N -1 0 311.342 -0.405 20 0 DBADRM CN(CCNC(=O)[C@@H]1CC12CCOCC2)Cc1n[nH]c(=O)[n-]1 ZINC001492894618 1015823701 /nfs/dbraw/zinc/82/37/01/1015823701.db2.gz JEWWPROIHNVJFB-JTQLQIEISA-N -1 0 309.370 -0.125 20 0 DBADRM CN(C[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)CC1CC1 ZINC001384310497 994089698 /nfs/dbraw/zinc/08/96/98/994089698.db2.gz ZNCGRDYAQCQKHA-SNVBAGLBSA-N -1 0 323.353 -0.451 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)CC1CC1 ZINC001384309236 994090068 /nfs/dbraw/zinc/09/00/68/994090068.db2.gz NFYPQZNDNARUNQ-VIFPVBQESA-N -1 0 321.337 -0.244 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)CC1CC1 ZINC001384310495 994090438 /nfs/dbraw/zinc/09/04/38/994090438.db2.gz ZNCGRDYAQCQKHA-JTQLQIEISA-N -1 0 323.353 -0.451 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1C[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001384471164 994153476 /nfs/dbraw/zinc/15/34/76/994153476.db2.gz SVXOSDDRTOKKMV-AOOOYVTPSA-N -1 0 323.353 -0.816 20 0 DBADRM COC[C@H](C)[C@@H](C)C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400464693 994163857 /nfs/dbraw/zinc/16/38/57/994163857.db2.gz JNAYHEVKFVHFMV-VHSXEESVSA-N -1 0 311.386 -0.023 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001400484128 994179427 /nfs/dbraw/zinc/17/94/27/994179427.db2.gz PNHOMYGPNNUVQI-BQBZGAKWSA-N -1 0 313.289 -0.638 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3cnccn3)CC2)c1[O-] ZINC001400509906 994198156 /nfs/dbraw/zinc/19/81/56/994198156.db2.gz SPPJFOBEZZEUKS-UHFFFAOYSA-N -1 0 316.321 -0.094 20 0 DBADRM CO[C@@H]1CCCCN(CC(=O)N(C)C[C@@H](C)c2nnn[n-]2)C1=O ZINC001552122825 1015841637 /nfs/dbraw/zinc/84/16/37/1015841637.db2.gz WQIJNHQLLLBBSG-GHMZBOCLSA-N -1 0 324.385 -0.211 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400560932 994228992 /nfs/dbraw/zinc/22/89/92/994228992.db2.gz LBQBMCMFXPIREP-UHFFFAOYSA-N -1 0 319.369 -0.359 20 0 DBADRM CC(=O)N1CCC(N(CCO)C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001384768787 994247861 /nfs/dbraw/zinc/24/78/61/994247861.db2.gz DINVKUHELACXIS-UHFFFAOYSA-N -1 0 310.354 -0.131 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@@H](OC)C[C@H]1c1ncc[nH]1 ZINC001552180952 1015845725 /nfs/dbraw/zinc/84/57/25/1015845725.db2.gz MKNZPYKBHMLXTN-UWVGGRQHSA-N -1 0 311.342 -0.051 20 0 DBADRM CN(CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C(=O)C1CC1 ZINC001400625507 994261617 /nfs/dbraw/zinc/26/16/17/994261617.db2.gz ZSBBDQXFBIKWKP-JTQLQIEISA-N -1 0 322.369 -0.931 20 0 DBADRM CCCNC(=O)CCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400691719 994299196 /nfs/dbraw/zinc/29/91/96/994299196.db2.gz JRNJLBDSFONUFX-SNVBAGLBSA-N -1 0 324.385 -0.493 20 0 DBADRM Cn1cc([C@H]2OCCC[C@H]2C(=O)Nn2c(=O)[n-][nH]c2=O)cn1 ZINC001552229067 1015850043 /nfs/dbraw/zinc/85/00/43/1015850043.db2.gz XGUBCLLKRVMHDS-RKDXNWHRSA-N -1 0 308.298 -0.339 20 0 DBADRM CC[C@H](C)C(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001400721849 994315465 /nfs/dbraw/zinc/31/54/65/994315465.db2.gz PQZKLKSLLHUCEK-QMMMGPOBSA-N -1 0 311.342 -0.595 20 0 DBADRM CCN(C(=O)Cc1nnc[nH]1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400763205 994339160 /nfs/dbraw/zinc/33/91/60/994339160.db2.gz JCBZBTVVOWURIG-VIFPVBQESA-N -1 0 320.357 -0.706 20 0 DBADRM CC[C@H](F)C(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001400783278 994345131 /nfs/dbraw/zinc/34/51/31/994345131.db2.gz OZJYMJDAMFOCLI-QMMMGPOBSA-N -1 0 315.305 -0.893 20 0 DBADRM COC[C@H](OC)C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001493134847 1015854898 /nfs/dbraw/zinc/85/48/98/1015854898.db2.gz FZNFRMBVCFVGOB-UWVGGRQHSA-N -1 0 313.358 -0.748 20 0 DBADRM C[C@@]1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(C(=O)C2CC2)C1 ZINC001400891977 994387184 /nfs/dbraw/zinc/38/71/84/994387184.db2.gz HXVBUVLWGPWZPT-CYBMUJFWSA-N -1 0 309.326 -0.794 20 0 DBADRM Cn1ccc(CCNC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001552405556 1015857559 /nfs/dbraw/zinc/85/75/59/1015857559.db2.gz PUVGCHAMJBAHKV-YGRLFVJLSA-N -1 0 308.338 -0.295 20 0 DBADRM Cc1cnn(CCNC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC001552405354 1015857764 /nfs/dbraw/zinc/85/77/64/1015857764.db2.gz ZFIQQKNGKPBWCR-SMDDNHRTSA-N -1 0 308.338 -0.066 20 0 DBADRM CN1C[C@H](CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1=O ZINC001552398337 1015857830 /nfs/dbraw/zinc/85/78/30/1015857830.db2.gz IQFBSHRHJKDJGT-BHDSKKPTSA-N -1 0 311.338 -0.793 20 0 DBADRM NC(=O)c1cc(CNC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)on1 ZINC001552397451 1015857923 /nfs/dbraw/zinc/85/79/23/1015857923.db2.gz DDSVTDZRICOMBF-WPPNPWJKSA-N -1 0 324.293 -0.984 20 0 DBADRM Cn1nccc1CCNC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001552406035 1015858005 /nfs/dbraw/zinc/85/80/05/1015858005.db2.gz UJMTXDIXSZZPNH-IINYFYTJSA-N -1 0 308.338 -0.295 20 0 DBADRM Cn1cccc(NC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)c1=O ZINC001552376924 1015858024 /nfs/dbraw/zinc/85/80/24/1015858024.db2.gz LYCJNIOEBGHRMF-OTYXRUKQSA-N -1 0 307.306 -0.050 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@]2(O)CCN(C(=O)C3CC3)C2)c1[O-] ZINC001401066978 994426420 /nfs/dbraw/zinc/42/64/20/994426420.db2.gz XUVFOASGVGAMPD-AWEZNQCLSA-N -1 0 308.338 -0.473 20 0 DBADRM CCO[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])C1CCOCC1 ZINC001596760381 1017168373 /nfs/dbraw/zinc/16/83/73/1017168373.db2.gz DLVWESIOIGWNCV-GRYCIOLGSA-N -1 0 301.339 -0.136 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001552584502 1015863547 /nfs/dbraw/zinc/86/35/47/1015863547.db2.gz UEDWEWKKKOAELR-SUNKGSAMSA-N -1 0 311.338 -0.650 20 0 DBADRM COCCC(=O)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001401188952 994473333 /nfs/dbraw/zinc/47/33/33/994473333.db2.gz MMBDMNGEDKGDOI-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM CN1CCC[C@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1=O ZINC001552654280 1015866259 /nfs/dbraw/zinc/86/62/59/1015866259.db2.gz DARRXWNJQGSUQK-BHDSKKPTSA-N -1 0 311.338 -0.650 20 0 DBADRM COC[C@H](OC)C(=O)N1CCC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001385521929 994514820 /nfs/dbraw/zinc/51/48/20/994514820.db2.gz MKIHMANNIOFXGY-ONGXEEELSA-N -1 0 311.342 -0.813 20 0 DBADRM CC1(CC(=O)N[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001385668956 994588108 /nfs/dbraw/zinc/58/81/08/994588108.db2.gz CELQQLSALUMFGW-MRVPVSSYSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(N[C@@H](CNC(=O)C1CCC1)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001385671071 994590100 /nfs/dbraw/zinc/59/01/00/994590100.db2.gz SADFFYDAIJSESP-VIFPVBQESA-N -1 0 321.337 -0.293 20 0 DBADRM Cc1nc(CNC[C@@H](O)CNC(=O)c2[nH]nc(C)c2[O-])co1 ZINC001401518878 994618130 /nfs/dbraw/zinc/61/81/30/994618130.db2.gz PYULPQSPXSJPAS-SNVBAGLBSA-N -1 0 309.326 -0.399 20 0 DBADRM CC(C)(C)C(=O)N[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001385755982 994621479 /nfs/dbraw/zinc/62/14/79/994621479.db2.gz NIVNUOWIJJQYPN-QMMMGPOBSA-N -1 0 323.353 -0.047 20 0 DBADRM CCC(=O)NC[C@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001385803033 994634826 /nfs/dbraw/zinc/63/48/26/994634826.db2.gz VGMSGBWGNFJOPU-JTQLQIEISA-N -1 0 323.353 -0.364 20 0 DBADRM CC(C)CC(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001385907803 994679527 /nfs/dbraw/zinc/67/95/27/994679527.db2.gz QIGRFFBOERXYJB-ZKCHVHJHSA-N -1 0 309.326 -0.294 20 0 DBADRM O=C(NC[C@@H](NC(=O)C1CC1)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001385925758 994686027 /nfs/dbraw/zinc/68/60/27/994686027.db2.gz STDLZPPOCANKOB-MRVPVSSYSA-N -1 0 307.310 -0.683 20 0 DBADRM CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001386016744 994718665 /nfs/dbraw/zinc/71/86/65/994718665.db2.gz FOPQVEPHZDZTGG-PHIMTYICSA-N -1 0 323.353 -0.309 20 0 DBADRM CCOC(Cn1cc(C(=O)N[C@@H](CF)C(=O)[O-])nn1)OCC ZINC001596791081 1017170072 /nfs/dbraw/zinc/17/00/72/1017170072.db2.gz RZCJKSBCMURIJS-QMMMGPOBSA-N -1 0 318.305 -0.170 20 0 DBADRM C[C@@H](CNC(=O)c1cocn1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001386199687 994799788 /nfs/dbraw/zinc/79/97/88/994799788.db2.gz VUSMEAKVAXPGNL-ZETCQYMHSA-N -1 0 321.293 -0.978 20 0 DBADRM COCC(=O)N[C@H]1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001386244731 994823098 /nfs/dbraw/zinc/82/30/98/994823098.db2.gz QEJNROZTTNRJIM-DTORHVGOSA-N -1 0 319.321 -0.954 20 0 DBADRM CC(C)CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001386253876 994831061 /nfs/dbraw/zinc/83/10/61/994831061.db2.gz YCAATOGLQYHHRF-DTORHVGOSA-N -1 0 311.342 -0.501 20 0 DBADRM CO[C@H](C)C(=O)NC[C@H]1CCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC001401859176 994831765 /nfs/dbraw/zinc/83/17/65/994831765.db2.gz CSFIOCJOXICMHO-ZYHUDNBSSA-N -1 0 319.365 -0.252 20 0 DBADRM O=C(Cc1ccc(F)cn1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001401894960 994845363 /nfs/dbraw/zinc/84/53/63/994845363.db2.gz VPRCNQYCPTWZCG-NSHDSACASA-N -1 0 320.328 -0.022 20 0 DBADRM Cn1cc(CCC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001401917160 994852403 /nfs/dbraw/zinc/85/24/03/994852403.db2.gz FJZWOCFDRXSGKI-NSHDSACASA-N -1 0 319.369 -0.433 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@@H]1CCN1CCCF ZINC001401930736 994857632 /nfs/dbraw/zinc/85/76/32/994857632.db2.gz WWMXFEBDNOHCGF-JTQLQIEISA-N -1 0 322.344 -0.379 20 0 DBADRM O=C(NCC1(NCc2nccs2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001401948256 994864964 /nfs/dbraw/zinc/86/49/64/994864964.db2.gz CAHZLFNLNCKJSY-UHFFFAOYSA-N -1 0 322.350 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@@H]2CCC(=O)NC2)c1[O-] ZINC001386360169 994877494 /nfs/dbraw/zinc/87/74/94/994877494.db2.gz BKCWNRPEZZJDSW-IONNQARKSA-N -1 0 323.353 -0.816 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001402010283 994883219 /nfs/dbraw/zinc/88/32/19/994883219.db2.gz YNCPXPGEMFBLIN-AWEZNQCLSA-N -1 0 322.369 -0.929 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(CC(=O)NC(C)C)C2)c1[O-] ZINC001402012277 994883287 /nfs/dbraw/zinc/88/32/87/994883287.db2.gz UZQCCNRFKTXWBK-UHFFFAOYSA-N -1 0 309.370 -0.295 20 0 DBADRM CCOCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-] ZINC001386497554 994934997 /nfs/dbraw/zinc/93/49/97/994934997.db2.gz PDFXBOUCJWTTAZ-JZYVYDRUSA-N -1 0 308.338 -0.353 20 0 DBADRM CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001386570923 994971209 /nfs/dbraw/zinc/97/12/09/994971209.db2.gz ODPHDZDEVVXMKW-IUCAKERBSA-N -1 0 323.353 -0.093 20 0 DBADRM CN1C[C@H](C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)CC1=O ZINC001493375587 1015906854 /nfs/dbraw/zinc/90/68/54/1015906854.db2.gz KMDNIVMZYPVJIW-SECBINFHSA-N -1 0 322.369 -0.931 20 0 DBADRM CC(C)(C)CC(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402257457 995005639 /nfs/dbraw/zinc/00/56/39/995005639.db2.gz NTJUENLPVCGGST-CQSZACIVSA-N -1 0 311.386 -0.001 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc(F)c[nH]1 ZINC001402285708 995042607 /nfs/dbraw/zinc/04/26/07/995042607.db2.gz NGDCCXHBUOLVDJ-ZDUSSCGKSA-N -1 0 324.316 -0.656 20 0 DBADRM CCCCC(=O)N[C@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001386731903 995052653 /nfs/dbraw/zinc/05/26/53/995052653.db2.gz JBINFOHMVXHVQV-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)[N-]OCCO ZINC001556278823 1015915126 /nfs/dbraw/zinc/91/51/26/1015915126.db2.gz HRNFMOLKXGTKFN-ZANVPECISA-N -1 0 304.343 -0.213 20 0 DBADRM C[C@H](C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C(C)(C)C ZINC001402343425 995095199 /nfs/dbraw/zinc/09/51/99/995095199.db2.gz WJJAYSKMKIIFLY-SECBINFHSA-N -1 0 311.386 -0.145 20 0 DBADRM C[C@H]1CC[C@H](C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001402353112 995100007 /nfs/dbraw/zinc/10/00/07/995100007.db2.gz GBWHUXQQLJZSKB-UWVGGRQHSA-N -1 0 309.370 -0.391 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001402353122 995100871 /nfs/dbraw/zinc/10/08/71/995100871.db2.gz GBWHUXQQLJZSKB-ZJUUUORDSA-N -1 0 309.370 -0.391 20 0 DBADRM C[C@H](O)CN1CC(O)(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001402376652 995116648 /nfs/dbraw/zinc/11/66/48/995116648.db2.gz VPVTWDVOLPDVCM-QMMMGPOBSA-N -1 0 322.321 -0.914 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2cnn(C)n2)c1[O-] ZINC001386851085 995130760 /nfs/dbraw/zinc/13/07/60/995130760.db2.gz KISXWEGBNRXMCH-UHFFFAOYSA-N -1 0 307.314 -0.946 20 0 DBADRM O=C(N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)C(F)F ZINC001402429636 995132191 /nfs/dbraw/zinc/13/21/91/995132191.db2.gz CMCJNHQOXULINH-NSHDSACASA-N -1 0 305.285 -0.782 20 0 DBADRM Cc1cc(C(=O)N(C)CCNC(=O)c2[nH]nc(C)c2[O-])nn1C ZINC001386854333 995133345 /nfs/dbraw/zinc/13/33/45/995133345.db2.gz SOOLNUCDMYGHMV-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@H]2CCC(=O)N2C)c1[O-] ZINC001386855133 995133884 /nfs/dbraw/zinc/13/38/84/995133884.db2.gz WPBKJGQWCCCNTB-SECBINFHSA-N -1 0 323.353 -0.767 20 0 DBADRM CN(CCNC(=O)c1ccn(C)c1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386858684 995135301 /nfs/dbraw/zinc/13/53/01/995135301.db2.gz MYUIOYWACQCURQ-UHFFFAOYSA-N -1 0 320.309 -0.877 20 0 DBADRM O=C(N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc[nH]1 ZINC001402456321 995150089 /nfs/dbraw/zinc/15/00/89/995150089.db2.gz ZCJAXHAPLAHADY-AWEZNQCLSA-N -1 0 320.353 -0.405 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)CCn2ccnc2)c1[O-] ZINC001386979063 995199149 /nfs/dbraw/zinc/19/91/49/995199149.db2.gz ZIVMYFVRQLYJSS-SECBINFHSA-N -1 0 320.353 -0.055 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1(CF)CC1 ZINC001386982005 995200897 /nfs/dbraw/zinc/20/08/97/995200897.db2.gz HEGQSFAJFVKMJP-LURJTMIESA-N -1 0 313.289 -0.733 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001387018119 995216368 /nfs/dbraw/zinc/21/63/68/995216368.db2.gz QJTWVGPDIXASNI-OPRDCNLKSA-N -1 0 317.349 -0.087 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001387024967 995218927 /nfs/dbraw/zinc/21/89/27/995218927.db2.gz KAURYIKJGHKBJR-APPZFPTMSA-N -1 0 314.317 -0.532 20 0 DBADRM CC(C)[C@@H](F)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387035436 995225548 /nfs/dbraw/zinc/22/55/48/995225548.db2.gz KKIAOAOFFKDFQD-NKWVEPMBSA-N -1 0 315.305 -0.489 20 0 DBADRM O=C(Cc1ncc[nH]1)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001402739327 995266164 /nfs/dbraw/zinc/26/61/64/995266164.db2.gz MQQLGAINIGHRBW-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM CN(CCNC(=O)[C@H]1CC12CC2)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387137148 995267432 /nfs/dbraw/zinc/26/74/32/995267432.db2.gz XHTUVVPWZCBBCW-SSDOTTSWSA-N -1 0 307.310 -0.729 20 0 DBADRM CCN(CCNC(=O)C(C)(C)F)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387136274 995267749 /nfs/dbraw/zinc/26/77/49/995267749.db2.gz XKJVZDWHNWIRQP-UHFFFAOYSA-N -1 0 317.321 -0.598 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)Cc1ncc[nH]1 ZINC001387183927 995285005 /nfs/dbraw/zinc/28/50/05/995285005.db2.gz RNAQHRFLGRFOPO-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001402905147 995332018 /nfs/dbraw/zinc/33/20/18/995332018.db2.gz PNBDAJXUSHQWJN-ONGXEEELSA-N -1 0 324.385 -0.542 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001402905145 995333749 /nfs/dbraw/zinc/33/37/49/995333749.db2.gz PNBDAJXUSHQWJN-MWLCHTKSSA-N -1 0 324.385 -0.542 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H](CNC(=O)C1CCC1)C1CC1 ZINC001493452076 1015937614 /nfs/dbraw/zinc/93/76/14/1015937614.db2.gz UZBOKESNVWSHQS-SNVBAGLBSA-N -1 0 323.353 -0.500 20 0 DBADRM CO[C@@H](C)C(=O)NCCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001387660300 995407481 /nfs/dbraw/zinc/40/74/81/995407481.db2.gz MVKPNKYSLCSURB-VIFPVBQESA-N -1 0 321.337 -0.754 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)Cc2nc(=O)n(C)[nH]2)c1[O-] ZINC001403117744 995412677 /nfs/dbraw/zinc/41/26/77/995412677.db2.gz BRLWDGHHMMENQY-SSDOTTSWSA-N -1 0 323.357 -0.904 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)Cc2ccon2)c1[O-] ZINC001387682096 995421495 /nfs/dbraw/zinc/42/14/95/995421495.db2.gz WQXKJTCSXSNLOT-UHFFFAOYSA-N -1 0 307.310 -0.157 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)CCn2ccnn2)c1[O-] ZINC001387697074 995432266 /nfs/dbraw/zinc/43/22/66/995432266.db2.gz XAUULDPUWHNKKQ-UHFFFAOYSA-N -1 0 321.341 -0.706 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)CCc3cn[nH]c3)C2)c1[O-] ZINC001387735780 995458061 /nfs/dbraw/zinc/45/80/61/995458061.db2.gz FEYABCNKIOQSTP-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N(C)CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001387750462 995467565 /nfs/dbraw/zinc/46/75/65/995467565.db2.gz XGGVFIBOMHHROO-ZJUUUORDSA-N -1 0 317.349 -0.133 20 0 DBADRM CCCC(=O)N1CC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001387758674 995470133 /nfs/dbraw/zinc/47/01/33/995470133.db2.gz RMAUWEVDMOFDQS-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM COCC(=O)N[C@H](C)C1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001403289565 995475893 /nfs/dbraw/zinc/47/58/93/995475893.db2.gz PYXBRTXFHZTANY-SNVBAGLBSA-N -1 0 319.365 -0.395 20 0 DBADRM C[C@H](NC(=O)CC1(O)CCC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001403312750 995484197 /nfs/dbraw/zinc/48/41/97/995484197.db2.gz XPKJSGHGAVHRGI-VIFPVBQESA-N -1 0 309.370 -0.248 20 0 DBADRM C[C@H](NC(=O)Cn1ccnc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001403350721 995492967 /nfs/dbraw/zinc/49/29/67/995492967.db2.gz LQIICXFGLSOCMS-VIFPVBQESA-N -1 0 305.342 -0.657 20 0 DBADRM C[C@@H](CCNC(=O)[C@H](C)n1cncn1)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001403363627 995497156 /nfs/dbraw/zinc/49/71/56/995497156.db2.gz SKBRWFGFRMJCID-IUCAKERBSA-N -1 0 308.346 -0.653 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)Cn3cccn3)C2)c1[O-] ZINC001387842112 995504551 /nfs/dbraw/zinc/50/45/51/995504551.db2.gz RLEROZWEDZATJD-UHFFFAOYSA-N -1 0 318.337 -0.491 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2coc(S(C)(=O)=O)c2)C(=O)N1C ZINC001557579498 1015951998 /nfs/dbraw/zinc/95/19/98/1015951998.db2.gz YOMGBAHKMUSNTO-ZCFIWIBFSA-N -1 0 315.307 -0.390 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)c1ccccc1 ZINC001387929754 995544161 /nfs/dbraw/zinc/54/41/61/995544161.db2.gz PZYBCODZFHSADN-UHFFFAOYSA-N -1 0 317.305 -0.215 20 0 DBADRM CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001596864475 1017172551 /nfs/dbraw/zinc/17/25/51/1017172551.db2.gz WHEVKKCGWPVLEW-DBIOUOCHSA-N -1 0 314.338 -0.724 20 0 DBADRM CCO[C@@H]1C[C@@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001596846714 1017172607 /nfs/dbraw/zinc/17/26/07/1017172607.db2.gz OLPUGNWIMZSHOG-KIKITERTSA-N -1 0 305.352 -0.585 20 0 DBADRM CC[C@@H](CNC(=O)c1cnnn1C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001388054764 995591403 /nfs/dbraw/zinc/59/14/03/995591403.db2.gz DGKVAXMVQJIPQX-QMMMGPOBSA-N -1 0 321.341 -0.509 20 0 DBADRM CCC(=O)N[C@@H](CC)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001388108099 995607022 /nfs/dbraw/zinc/60/70/22/995607022.db2.gz HAWBDRHCGCXRHW-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001388129271 995614191 /nfs/dbraw/zinc/61/41/91/995614191.db2.gz CYJCZWRPLBGLDW-FXQIFTODSA-N -1 0 309.326 -0.437 20 0 DBADRM C[C@@H](Cc1c[nH]cn1)C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001403695831 995653403 /nfs/dbraw/zinc/65/34/03/995653403.db2.gz IWAQYCSTQWZJHG-VIFPVBQESA-N -1 0 307.358 -0.340 20 0 DBADRM C[C@H](C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC001403728206 995676531 /nfs/dbraw/zinc/67/65/31/995676531.db2.gz OLKCMBILUYJAGD-CMPLNLGQSA-N -1 0 319.365 -0.119 20 0 DBADRM COCCn1nc(C(=O)[N-]OCCN2CCCC2=O)ccc1=O ZINC001557719731 1015961043 /nfs/dbraw/zinc/96/10/43/1015961043.db2.gz QWRROCQSHGSGGB-UHFFFAOYSA-N -1 0 324.337 -0.827 20 0 DBADRM C[C@H](c1cnccn1)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001403755019 995691503 /nfs/dbraw/zinc/69/15/03/995691503.db2.gz UIGGPELDKHXTPW-SECBINFHSA-N -1 0 321.341 -0.712 20 0 DBADRM CCc1nocc1CN(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001403754067 995691860 /nfs/dbraw/zinc/69/18/60/995691860.db2.gz RXOFDCPVYSXQPL-UHFFFAOYSA-N -1 0 324.341 -0.512 20 0 DBADRM CCN(CCNC(=O)[C@@H]1CC12CC2)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388464071 995695529 /nfs/dbraw/zinc/69/55/29/995695529.db2.gz YFNKBWTWEVYNIR-VIFPVBQESA-N -1 0 323.353 -0.546 20 0 DBADRM CC(C)C(=O)NCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001388610446 995716606 /nfs/dbraw/zinc/71/66/06/995716606.db2.gz KPCBVMVHOPLWSF-UHFFFAOYSA-N -1 0 311.342 -0.548 20 0 DBADRM CN(C[C@@H](O)CNCc1cnn(C)n1)C(=O)c1ncccc1O ZINC001403830881 995717598 /nfs/dbraw/zinc/71/75/98/995717598.db2.gz PAUSIWCXMMKZJH-NSHDSACASA-N -1 0 320.353 -0.862 20 0 DBADRM CN(C[C@@H]1CCN1CCF)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001388636779 995720118 /nfs/dbraw/zinc/72/01/18/995720118.db2.gz BCGKJIHMQFTKCD-JTQLQIEISA-N -1 0 315.349 -0.028 20 0 DBADRM CN(C[C@H]1CCN1CCF)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001388636782 995720711 /nfs/dbraw/zinc/72/07/11/995720711.db2.gz BCGKJIHMQFTKCD-SNVBAGLBSA-N -1 0 315.349 -0.028 20 0 DBADRM O=C(CCc1nnn[n-]1)NC[C@H](O)C(F)(F)C(F)(F)F ZINC001558105662 1015969154 /nfs/dbraw/zinc/96/91/54/1015969154.db2.gz LQGONMLXFVGSET-BYPYZUCNSA-N -1 0 303.191 -0.193 20 0 DBADRM CCN(CCNC(=O)c1cnn(C)c1N)Cc1n[nH]c(=O)[n-]1 ZINC001403844724 995725955 /nfs/dbraw/zinc/72/59/55/995725955.db2.gz JAIYEHZOFLXRPU-UHFFFAOYSA-N -1 0 308.346 -0.922 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])Cc1cn(C)nn1 ZINC001403846032 995727911 /nfs/dbraw/zinc/72/79/11/995727911.db2.gz QKUISVILSUXMEK-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM CCN(CCNC(=O)CCc1ccn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001403851748 995732813 /nfs/dbraw/zinc/73/28/13/995732813.db2.gz LTVNAGSVYBEZSR-UHFFFAOYSA-N -1 0 321.385 -0.185 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ncccn1 ZINC001403860059 995739156 /nfs/dbraw/zinc/73/91/56/995739156.db2.gz KAEOUXADAUGYRN-UHFFFAOYSA-N -1 0 319.325 -0.675 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)C(C)(F)F ZINC001403870763 995745595 /nfs/dbraw/zinc/74/55/95/995745595.db2.gz HVTGLZALXJHGAU-SSDOTTSWSA-N -1 0 307.301 -0.583 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CCc2nnc[nH]2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001388798909 995761319 /nfs/dbraw/zinc/76/13/19/995761319.db2.gz OHZXPELLIXHAKZ-BDAKNGLRSA-N -1 0 320.357 -0.660 20 0 DBADRM CC(=O)N1CCC[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001388919195 995779015 /nfs/dbraw/zinc/77/90/15/995779015.db2.gz KYMSGEAPAABGKW-JTQLQIEISA-N -1 0 311.342 -0.403 20 0 DBADRM CCC(=O)N(C)CCN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001388947932 995784330 /nfs/dbraw/zinc/78/43/30/995784330.db2.gz LGMORSPAUDVQMP-UHFFFAOYSA-N -1 0 313.358 -0.204 20 0 DBADRM CC[C@H](C)C(=O)N(C)CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388966195 995788048 /nfs/dbraw/zinc/78/80/48/995788048.db2.gz AFJPZIIHPWYJRM-VIFPVBQESA-N -1 0 313.358 -0.348 20 0 DBADRM Cc1cnc([C@H](C)NCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001404337115 995859121 /nfs/dbraw/zinc/85/91/21/995859121.db2.gz GINWWGLFGRXYJO-VIFPVBQESA-N -1 0 324.341 -0.205 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)CN2CCCC2=O)c1[O-] ZINC001389133332 995866885 /nfs/dbraw/zinc/86/68/85/995866885.db2.gz HARONFVZWRIYJA-MRVPVSSYSA-N -1 0 323.353 -0.719 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@@H]2CCNC(=O)C2)c1[O-] ZINC001389171843 995883855 /nfs/dbraw/zinc/88/38/55/995883855.db2.gz XVNXYKYTBPMXJX-VXNVDRBHSA-N -1 0 323.353 -0.816 20 0 DBADRM CC[C@@H](C)CC(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001389242818 995907235 /nfs/dbraw/zinc/90/72/35/995907235.db2.gz TXUNTJQBGAZCGF-HTQZYQBOSA-N -1 0 311.342 -0.047 20 0 DBADRM CCC(=O)N[C@@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001389288083 995922442 /nfs/dbraw/zinc/92/24/42/995922442.db2.gz UBUXDAGGFFQQGZ-QMMMGPOBSA-N -1 0 306.326 -0.898 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@H]1CC12CC2 ZINC001389289605 995923115 /nfs/dbraw/zinc/92/31/15/995923115.db2.gz UPYCUJWPEBCHJP-PSASIEDQSA-N -1 0 320.349 -0.480 20 0 DBADRM CCO[C@@H]1COCC[C@H]1CC(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001596855969 1017173496 /nfs/dbraw/zinc/17/34/96/1017173496.db2.gz YWKNCGYNGGSHIP-KZWBYHQPSA-N -1 0 301.339 -0.088 20 0 DBADRM O=C(CCn1ccnc1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001389376994 995958550 /nfs/dbraw/zinc/95/85/50/995958550.db2.gz PTTYDHZAODNEEO-NSHDSACASA-N -1 0 319.369 -0.122 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(CCF)C1 ZINC001389476301 996005338 /nfs/dbraw/zinc/00/53/38/996005338.db2.gz ZDNMBGFUJLCTMF-SECBINFHSA-N -1 0 301.322 -0.371 20 0 DBADRM CCC(CC)C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389538063 996025897 /nfs/dbraw/zinc/02/58/97/996025897.db2.gz AQBQNXFTQZGAGG-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001389603566 996040270 /nfs/dbraw/zinc/04/02/70/996040270.db2.gz HSPIRQCDVYFDCR-ZJUUUORDSA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001389640509 996054039 /nfs/dbraw/zinc/05/40/39/996054039.db2.gz XHYKCZBAMUCHPW-APPZFPTMSA-N -1 0 321.337 -0.340 20 0 DBADRM CC1(CC(=O)N2CC[C@@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001389715279 996077525 /nfs/dbraw/zinc/07/75/25/996077525.db2.gz HABFZOPKVSRZRV-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM CC(C)[C@@H](C)C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001389988950 996157241 /nfs/dbraw/zinc/15/72/41/996157241.db2.gz NRNGLBXRQNEBBL-MRVPVSSYSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@@H](CNC(=O)C(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001390153474 996194499 /nfs/dbraw/zinc/19/44/99/996194499.db2.gz PGAWNRYERRSNKE-BYPYZUCNSA-N -1 0 305.241 -0.828 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)C1CCS(=O)(=O)CC1 ZINC001596872779 1017175369 /nfs/dbraw/zinc/17/53/69/1017175369.db2.gz PBOPTSGFOGORRD-JTQLQIEISA-N -1 0 307.368 -0.241 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001390599142 996317548 /nfs/dbraw/zinc/31/75/48/996317548.db2.gz YHKJGEJCMLDCLD-HRDYMLBCSA-N -1 0 311.342 -0.644 20 0 DBADRM C[C@@H](C(N)=O)N(C)CCNC(=O)c1n[n-]c2ccccc2c1=O ZINC001390818478 996383147 /nfs/dbraw/zinc/38/31/47/996383147.db2.gz QMFKNLPBHJXNMG-VIFPVBQESA-N -1 0 317.349 -0.129 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)NCCN(CC)Cc1n[nH]c(=O)[n-]1 ZINC001390950395 996415306 /nfs/dbraw/zinc/41/53/06/996415306.db2.gz IJPIILNZNFXUSZ-SNVBAGLBSA-N -1 0 312.374 -0.637 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001391053521 996430786 /nfs/dbraw/zinc/43/07/86/996430786.db2.gz TZLZFNJHTOIBRQ-VHSXEESVSA-N -1 0 320.357 -0.556 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC001596873261 1017175545 /nfs/dbraw/zinc/17/55/45/1017175545.db2.gz YRLITNFUBDTHLA-VHSXEESVSA-N -1 0 311.342 -0.426 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCN(CCF)C1CC1 ZINC001391187312 996483604 /nfs/dbraw/zinc/48/36/04/996483604.db2.gz DGJXSRSKKMXPHF-UHFFFAOYSA-N -1 0 322.344 -0.379 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(c2nnnn2CCO[C@H]2CCOC2)C1 ZINC001593802029 996526074 /nfs/dbraw/zinc/52/60/74/996526074.db2.gz QRYQYSPSHRRFSZ-GXFFZTMASA-N -1 0 311.342 -0.220 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC(C)(C(=O)[O-])C1 ZINC001593802168 996527175 /nfs/dbraw/zinc/52/71/75/996527175.db2.gz QJIYLRQIHVWPQI-QMMMGPOBSA-N -1 0 306.384 -0.117 20 0 DBADRM Cc1cc(CCC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001391446909 996544105 /nfs/dbraw/zinc/54/41/05/996544105.db2.gz KTRACLGZCWRTAW-UHFFFAOYSA-N -1 0 306.326 -0.260 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(CC(=O)NC(C)C)C2)c1[O-] ZINC001391472310 996551973 /nfs/dbraw/zinc/55/19/73/996551973.db2.gz JHFBGTGVIXOBIW-UHFFFAOYSA-N -1 0 309.370 -0.390 20 0 DBADRM O=C(CCCn1cncn1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391514149 996562458 /nfs/dbraw/zinc/56/24/58/996562458.db2.gz ZROZVFRCUIKXRU-UHFFFAOYSA-N -1 0 320.357 -0.870 20 0 DBADRM CC1(C)C[C@@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C(=O)O1 ZINC001593856716 996642597 /nfs/dbraw/zinc/64/25/97/996642597.db2.gz IGFDSTBPJFPTNX-DTWKUNHWSA-N -1 0 312.322 -0.480 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)C(C)(C)F)c1[O-] ZINC001391966699 996666210 /nfs/dbraw/zinc/66/62/10/996666210.db2.gz LNEDFGOEHGSRHF-ZETCQYMHSA-N -1 0 302.306 -0.621 20 0 DBADRM COC[C@H](C)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001391970969 996667622 /nfs/dbraw/zinc/66/76/22/996667622.db2.gz CVODHVQNQPDBSY-UWVGGRQHSA-N -1 0 313.358 -0.890 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N(CCO)CCNc1ccnc(C(=O)[O-])n1 ZINC001593869449 996677445 /nfs/dbraw/zinc/67/74/45/996677445.db2.gz YQKVWMLDNPJWKC-SNVBAGLBSA-N -1 0 322.365 -0.124 20 0 DBADRM CN(CCN(C)C(=O)CCn1cncn1)Cc1n[nH]c(=O)[n-]1 ZINC001392258743 996766486 /nfs/dbraw/zinc/76/64/86/996766486.db2.gz BESNQBVMBLIYPJ-UHFFFAOYSA-N -1 0 308.346 -0.918 20 0 DBADRM CCC(=O)N(C)[C@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001404444327 996782956 /nfs/dbraw/zinc/78/29/56/996782956.db2.gz IYBQFNBOIQVEEL-SECBINFHSA-N -1 0 320.353 -0.556 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(C(=O)OC)nn1C ZINC001596876138 1017176493 /nfs/dbraw/zinc/17/64/93/1017176493.db2.gz VYUOXUMZKBJMMJ-JTQLQIEISA-N -1 0 313.310 -0.232 20 0 DBADRM C[C@H](C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001392337238 996801974 /nfs/dbraw/zinc/80/19/74/996801974.db2.gz ZUJHUCAWLLVBTN-JTQLQIEISA-N -1 0 321.385 -0.062 20 0 DBADRM CC1(C)CCN(Cn2cnc(C(=O)[O-])n2)CCS1(=O)=O ZINC001593923956 996844932 /nfs/dbraw/zinc/84/49/32/996844932.db2.gz ZYPVOSMIBHETIR-UHFFFAOYSA-N -1 0 302.356 -0.167 20 0 DBADRM CC1(C)CN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)CC(C)(C)C1 ZINC001593924322 996846446 /nfs/dbraw/zinc/84/64/46/996846446.db2.gz CZFOAVFFORTGNE-UHFFFAOYSA-N -1 0 312.366 -0.071 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccccc2-n2cnnn2)C1 ZINC001599075899 996863244 /nfs/dbraw/zinc/86/32/44/996863244.db2.gz WAFCNRNLKNEHBP-AWEZNQCLSA-N -1 0 317.305 -0.022 20 0 DBADRM Cc1n[nH]c(C)c1CCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404837040 996880683 /nfs/dbraw/zinc/88/06/83/996880683.db2.gz JKRTVLGFXSYBAU-UHFFFAOYSA-N -1 0 319.369 -0.217 20 0 DBADRM O=C(CC1OCCCO1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404863779 996887803 /nfs/dbraw/zinc/88/78/03/996887803.db2.gz DGTANEPXHDEPEZ-UHFFFAOYSA-N -1 0 311.342 -0.789 20 0 DBADRM CC1(C)CN(CC(=O)NCCC(=O)[O-])C[C@]2(CCOC2)O1 ZINC001593940300 996947006 /nfs/dbraw/zinc/94/70/06/996947006.db2.gz IMTHQCSTRWIEBZ-AWEZNQCLSA-N -1 0 300.355 -0.153 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1coc(S(N)(=O)=O)c1 ZINC001596876565 1017176783 /nfs/dbraw/zinc/17/67/83/1017176783.db2.gz BGSBBXNXBCDKDS-QMMMGPOBSA-N -1 0 320.323 -0.511 20 0 DBADRM CC1(C)CN(S(=O)(=O)C2(C(=O)[O-])CCC2)CCN1CCO ZINC001593945132 996986136 /nfs/dbraw/zinc/98/61/36/996986136.db2.gz RJDQUAYUVWBZEO-UHFFFAOYSA-N -1 0 320.411 -0.288 20 0 DBADRM CC/C=C(/C)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001493906611 1016089734 /nfs/dbraw/zinc/08/97/34/1016089734.db2.gz OXRVXWBPLILWLE-OTOXVQDCSA-N -1 0 321.337 -0.030 20 0 DBADRM Cc1cnc([C@H](C)NC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001392610675 997080962 /nfs/dbraw/zinc/08/09/62/997080962.db2.gz CVRFMYYDGYJONP-CBAPKCEASA-N -1 0 324.341 -0.159 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NCc2ccnc(C(=O)[O-])c2)C1=O ZINC001593968122 997115979 /nfs/dbraw/zinc/11/59/79/997115979.db2.gz AEDYCNUIFJMOOV-UHFFFAOYSA-N -1 0 320.305 -0.274 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NCc2nc(C(=O)[O-])co2)C1=O ZINC001593968178 997117490 /nfs/dbraw/zinc/11/74/90/997117490.db2.gz CAOSSGXPMBEMBA-UHFFFAOYSA-N -1 0 310.266 -0.681 20 0 DBADRM CC1(C)NC(=O)N(CCCC(=O)NC[C@H](O)CC(=O)[O-])C1=O ZINC001593968651 997122176 /nfs/dbraw/zinc/12/21/76/997122176.db2.gz ZXXWDMSUSGFFSS-MRVPVSSYSA-N -1 0 315.326 -0.951 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cccn2nnnc12 ZINC001599192271 997143558 /nfs/dbraw/zinc/14/35/58/997143558.db2.gz HHFPMJUSNHKBJL-CYBMUJFWSA-N -1 0 305.294 -0.170 20 0 DBADRM CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001405286664 997163186 /nfs/dbraw/zinc/16/31/86/997163186.db2.gz KIIOUDAMDJXAGE-DTWKUNHWSA-N -1 0 314.342 -0.944 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1CC(=O)N=[S@](C)(=O)N(C)C ZINC001599193869 997178364 /nfs/dbraw/zinc/17/83/64/997178364.db2.gz YPJDQQDEAQMZEI-QKVFXAPYSA-N -1 0 321.399 -0.347 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CC[C@](OC)(C(=O)[O-])C2)C1=O ZINC001599194194 997184378 /nfs/dbraw/zinc/18/43/78/997184378.db2.gz DOZWMTIKANBHIP-CHWSQXEVSA-N -1 0 315.326 -0.924 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2CCNC(=O)C2CC2)c1[O-] ZINC001392837584 997254612 /nfs/dbraw/zinc/25/46/12/997254612.db2.gz JAMSWJOEDCHZMU-LLVKDONJSA-N -1 0 321.381 -0.246 20 0 DBADRM C[C@]1(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)CCC(=O)NC1 ZINC001392857170 997271614 /nfs/dbraw/zinc/27/16/14/997271614.db2.gz KRYDXJMWGRUGQJ-XPTSAGLGSA-N -1 0 322.369 -0.883 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001392867738 997279587 /nfs/dbraw/zinc/27/95/87/997279587.db2.gz DAJZVDGDKHOGQM-VIFPVBQESA-N -1 0 324.385 -0.637 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001392895966 997303819 /nfs/dbraw/zinc/30/38/19/997303819.db2.gz WJWDDYAAQZKHDW-QMMMGPOBSA-N -1 0 309.326 -0.798 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)Cn2ccnc2)c1[O-] ZINC001392911272 997317875 /nfs/dbraw/zinc/31/78/75/997317875.db2.gz RMAFMGMTGGOKEP-QMMMGPOBSA-N -1 0 306.326 -0.445 20 0 DBADRM COc1ncccc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001392930668 997333670 /nfs/dbraw/zinc/33/36/70/997333670.db2.gz SJCSHTDISQCCFG-UHFFFAOYSA-N -1 0 318.337 -0.034 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393003479 997353795 /nfs/dbraw/zinc/35/37/95/997353795.db2.gz GAQPWOYJARGUOG-MRVPVSSYSA-N -1 0 310.358 -0.932 20 0 DBADRM COCCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)COC ZINC001405779140 997422650 /nfs/dbraw/zinc/42/26/50/997422650.db2.gz UPBVZFKCYYSHNU-UHFFFAOYSA-N -1 0 314.342 -0.725 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNCc2nncn2C)c1[O-] ZINC001405812250 997432320 /nfs/dbraw/zinc/43/23/20/997432320.db2.gz LBCHGYSUPLRLEE-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM CC(=O)N[C@@H](C)C[C@@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001405922886 997467473 /nfs/dbraw/zinc/46/74/73/997467473.db2.gz YAFYRRYTBJABHQ-DTWKUNHWSA-N -1 0 313.358 -0.111 20 0 DBADRM CC[C@H](C)CC(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393250029 997492566 /nfs/dbraw/zinc/49/25/66/997492566.db2.gz WMCFTTGUGRVRDU-HZMBPMFUSA-N -1 0 311.386 -0.001 20 0 DBADRM CN(CCN(C)C(=O)Cc1cnn(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001406077853 997508721 /nfs/dbraw/zinc/50/87/21/997508721.db2.gz JZIDHRZLMBTEBZ-UHFFFAOYSA-N -1 0 307.358 -0.623 20 0 DBADRM CC(=O)N1CC[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](C)C1 ZINC001406199972 997563002 /nfs/dbraw/zinc/56/30/02/997563002.db2.gz JZNRKLRJVBNNIK-WPRPVWTQSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1conc1CNC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001406211681 997576520 /nfs/dbraw/zinc/57/65/20/997576520.db2.gz KNJPQOKSXOQVHI-SECBINFHSA-N -1 0 309.326 -0.399 20 0 DBADRM C[C@@H]1CCCC[C@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393335111 997595061 /nfs/dbraw/zinc/59/50/61/997595061.db2.gz YRRUQNTWMRSVPI-GHMZBOCLSA-N -1 0 323.397 -0.001 20 0 DBADRM CCOCC[C@@H](O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC001596898989 1017179145 /nfs/dbraw/zinc/17/91/45/1017179145.db2.gz DTVOVINYOWKJEW-SECBINFHSA-N -1 0 310.310 -0.535 20 0 DBADRM CCN1CCOC[C@H]1CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001393506729 997700628 /nfs/dbraw/zinc/70/06/28/997700628.db2.gz KQNYLIBIBHZWTA-SNVBAGLBSA-N -1 0 313.358 -0.694 20 0 DBADRM C[C@H](CNCc1nccs1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001406368460 997718360 /nfs/dbraw/zinc/71/83/60/997718360.db2.gz WELGWJQFJNYKNW-ZCFIWIBFSA-N -1 0 310.339 -0.353 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3ncccn3)CC2)c1[O-] ZINC001393603676 997762562 /nfs/dbraw/zinc/76/25/62/997762562.db2.gz GOMQUFHXHQLOEZ-UHFFFAOYSA-N -1 0 316.321 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)[C@@H]3CCCO3)CC2)c1[O-] ZINC001393607461 997763224 /nfs/dbraw/zinc/76/32/24/997763224.db2.gz XQDTUIYFBBREAX-VIFPVBQESA-N -1 0 308.338 -0.019 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)CC(=O)NC(C)C)c1[O-] ZINC001406626646 997839231 /nfs/dbraw/zinc/83/92/31/997839231.db2.gz UBZIGRRFPSOQHZ-VIFPVBQESA-N -1 0 311.386 -0.002 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@@H]1CCN(C)C1=O ZINC001406626045 997839745 /nfs/dbraw/zinc/83/97/45/997839745.db2.gz MXIVWWZRVNWRHO-ZJUUUORDSA-N -1 0 324.385 -0.685 20 0 DBADRM C[C@H](CN(C)Cc1cncn1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001406681151 997852071 /nfs/dbraw/zinc/85/20/71/997852071.db2.gz AVCRBQHZPGCUQH-SECBINFHSA-N -1 0 323.357 -0.941 20 0 DBADRM C[C@@H](CN(C)Cc1cncn1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001406681161 997853400 /nfs/dbraw/zinc/85/34/00/997853400.db2.gz AVCRBQHZPGCUQH-VIFPVBQESA-N -1 0 323.357 -0.941 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CO)CCN(CCF)CC2)c1[O-] ZINC001393841078 997862348 /nfs/dbraw/zinc/86/23/48/997862348.db2.gz SSBOYCCGGJCKKZ-UHFFFAOYSA-N -1 0 300.334 -0.050 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2ncccc2O)[C@@H]1C ZINC001406729998 997863346 /nfs/dbraw/zinc/86/33/46/997863346.db2.gz LTZYZESUFGCKIJ-KOLCDFICSA-N -1 0 320.349 -0.358 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001406847878 997897328 /nfs/dbraw/zinc/89/73/28/997897328.db2.gz COEKLTICNJKDGC-UWVGGRQHSA-N -1 0 322.369 -0.740 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(N[C@H](C)c3nnnn3C)CC2)c1[O-] ZINC001406908415 997931782 /nfs/dbraw/zinc/93/17/82/997931782.db2.gz OVCWYDBMJJGQJM-MRVPVSSYSA-N -1 0 320.357 -0.440 20 0 DBADRM Cc1ncncc1C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001394046392 997942006 /nfs/dbraw/zinc/94/20/06/997942006.db2.gz LYHOSQITSLFXFC-MRVPVSSYSA-N -1 0 305.342 -0.141 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)Cc2nnn(C)n2)c1[O-] ZINC001394058951 997950621 /nfs/dbraw/zinc/95/06/21/997950621.db2.gz QWWADAGVBDXPQF-ZETCQYMHSA-N -1 0 308.346 -0.802 20 0 DBADRM CN1CC[C@H](C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)CC1=O ZINC001406946465 997950795 /nfs/dbraw/zinc/95/07/95/997950795.db2.gz YXNGCEMNGHGVDL-VIFPVBQESA-N -1 0 322.369 -0.883 20 0 DBADRM CCN1C[C@H](C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001394064327 997953755 /nfs/dbraw/zinc/95/37/55/997953755.db2.gz BCDMSQTUXQIJMW-NXEZZACHSA-N -1 0 324.385 -0.685 20 0 DBADRM COCCN(CCF)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001599236685 997958637 /nfs/dbraw/zinc/95/86/37/997958637.db2.gz PJGAXAGNJHDUDS-UHFFFAOYSA-N -1 0 316.289 -0.499 20 0 DBADRM COCCN(CCO)S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599238588 997993231 /nfs/dbraw/zinc/99/32/31/997993231.db2.gz OMGWIDCFYGLJQT-UHFFFAOYSA-N -1 0 307.324 -0.084 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@@](C)(CCF)C(=O)[O-])CC1=O ZINC001599239622 998013888 /nfs/dbraw/zinc/01/38/88/998013888.db2.gz GXKVFZKCSLZFHI-RNCFNFMXSA-N -1 0 304.318 -0.200 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001407353181 998125048 /nfs/dbraw/zinc/12/50/48/998125048.db2.gz CCXFVQQGILFWLK-DZHLUBAWSA-N -1 0 321.381 -0.391 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NCc1cscn1 ZINC001394504199 998171160 /nfs/dbraw/zinc/17/11/60/998171160.db2.gz GUDJUNTZWIQXDN-ZETCQYMHSA-N -1 0 324.366 -0.010 20 0 DBADRM C[C@@H]1CCC[C@]1(C)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407421183 998187609 /nfs/dbraw/zinc/18/76/09/998187609.db2.gz AMPSKOQVDBFGOP-YGRLFVJLSA-N -1 0 323.397 -0.001 20 0 DBADRM Cc1ccsc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001394564989 998199696 /nfs/dbraw/zinc/19/96/96/998199696.db2.gz QDHLXKWXQBHPLL-QMMMGPOBSA-N -1 0 311.367 -0.239 20 0 DBADRM CC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001407442912 998200910 /nfs/dbraw/zinc/20/09/10/998200910.db2.gz XRFFYOJVQZNZQG-PSASIEDQSA-N -1 0 311.342 -0.405 20 0 DBADRM CC[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407441461 998202571 /nfs/dbraw/zinc/20/25/71/998202571.db2.gz UHORVCRRGSUIBA-NXEZZACHSA-N -1 0 311.386 -0.145 20 0 DBADRM C[C@@H]1CCC[C@H]1CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407541226 998258024 /nfs/dbraw/zinc/25/80/24/998258024.db2.gz YQYUPUDYFTUVAH-MNOVXSKESA-N -1 0 323.397 -0.001 20 0 DBADRM C[C@H]1CCC[C@H]1CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407541228 998258541 /nfs/dbraw/zinc/25/85/41/998258541.db2.gz YQYUPUDYFTUVAH-QWRGUYRKSA-N -1 0 323.397 -0.001 20 0 DBADRM CCOCCNC(=O)CN1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001596929477 1017181676 /nfs/dbraw/zinc/18/16/76/1017181676.db2.gz IXZDFRGIZBCZBC-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM Cc1ccc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)c(F)c1 ZINC001394635125 998322051 /nfs/dbraw/zinc/32/20/51/998322051.db2.gz SPLQKVPVIWWEHY-VIFPVBQESA-N -1 0 323.328 -0.162 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H]1CC2CCC1CC2 ZINC001394657286 998362232 /nfs/dbraw/zinc/36/22/32/998362232.db2.gz NCBARGFOOFODKQ-QQFIATSDSA-N -1 0 323.397 -0.097 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H]1CC2CCC1CC2 ZINC001394657283 998362807 /nfs/dbraw/zinc/36/28/07/998362807.db2.gz NCBARGFOOFODKQ-HCWSGVFWSA-N -1 0 323.397 -0.097 20 0 DBADRM Cc1cccc(F)c1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001394660300 998364150 /nfs/dbraw/zinc/36/41/50/998364150.db2.gz UWACFPDMSYYYIF-VIFPVBQESA-N -1 0 323.328 -0.162 20 0 DBADRM O=C([C@H]1CC12CC2)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001408036764 998463910 /nfs/dbraw/zinc/46/39/10/998463910.db2.gz QKSMMRNTKMBAIN-BMIGLBTASA-N -1 0 321.381 -0.247 20 0 DBADRM CS[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001408081893 998485823 /nfs/dbraw/zinc/48/58/23/998485823.db2.gz KTGNXAHDLNXPLX-RITPCOANSA-N -1 0 315.355 -0.731 20 0 DBADRM CCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001394925787 998542555 /nfs/dbraw/zinc/54/25/55/998542555.db2.gz KJKHGIVWCJLXQR-DTWKUNHWSA-N -1 0 310.354 -0.091 20 0 DBADRM CC(C)C(=O)N[C@@H](C)[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001394931605 998545694 /nfs/dbraw/zinc/54/56/94/998545694.db2.gz FSZLBXMHVJXNJX-IUCAKERBSA-N -1 0 310.354 -0.235 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@H]2CC(=O)N(C)C2)c1[O-] ZINC001408194759 998547539 /nfs/dbraw/zinc/54/75/39/998547539.db2.gz GXTFOBUEISYGJK-CBAPKCEASA-N -1 0 323.353 -0.863 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@@H]2CC(=O)N(C)C2)c1[O-] ZINC001408194768 998547853 /nfs/dbraw/zinc/54/78/53/998547853.db2.gz GXTFOBUEISYGJK-VXNVDRBHSA-N -1 0 323.353 -0.863 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CCC1(C)C ZINC001408262877 998578450 /nfs/dbraw/zinc/57/84/50/998578450.db2.gz RPABUAPLECLBLB-JGVFFNPUSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@H](CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001408277778 998586307 /nfs/dbraw/zinc/58/63/07/998586307.db2.gz IIIQSDWGJPBRJE-RFXMVYNHSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC12CC2)NC(=O)c1cnc([O-])n(C)c1=O ZINC001408360272 998612506 /nfs/dbraw/zinc/61/25/06/998612506.db2.gz STGOETLWHJBILU-PSASIEDQSA-N -1 0 320.349 -0.480 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN(C(=O)CC2CC2)C1 ZINC001408363711 998614162 /nfs/dbraw/zinc/61/41/62/998614162.db2.gz YZKXBTCTQGHTHM-SNVBAGLBSA-N -1 0 323.353 -0.546 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN(C(=O)CC2CC2)C1 ZINC001408363710 998614534 /nfs/dbraw/zinc/61/45/34/998614534.db2.gz YZKXBTCTQGHTHM-JTQLQIEISA-N -1 0 323.353 -0.546 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001408368747 998615574 /nfs/dbraw/zinc/61/55/74/998615574.db2.gz WTJCQBSWUOQRBX-VIFPVBQESA-N -1 0 311.342 -0.690 20 0 DBADRM CN(CCNC(=O)C1CC1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001408509005 998645023 /nfs/dbraw/zinc/64/50/23/998645023.db2.gz ADJGLVBVDHKZSX-UHFFFAOYSA-N -1 0 318.337 -0.944 20 0 DBADRM CC(=O)NCC(=O)N1CC([C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001395271463 998647894 /nfs/dbraw/zinc/64/78/94/998647894.db2.gz BWMYTKBYXMRQHC-SSDOTTSWSA-N -1 0 323.353 -0.863 20 0 DBADRM CC(C)C(=O)N[C@H](C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001395275121 998648382 /nfs/dbraw/zinc/64/83/82/998648382.db2.gz NMYORIHSNQYEDT-SSDOTTSWSA-N -1 0 309.326 -0.485 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)c2cnn(C)n2)c1[O-] ZINC001395568007 998687167 /nfs/dbraw/zinc/68/71/67/998687167.db2.gz CLCLKAHBLKRFBR-ZETCQYMHSA-N -1 0 321.341 -0.557 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)c2cn(C)nn2)c1[O-] ZINC001395577375 998689518 /nfs/dbraw/zinc/68/95/18/998689518.db2.gz MKBLYXKCHGZIFS-SSDOTTSWSA-N -1 0 321.341 -0.557 20 0 DBADRM CC(C)C(=O)NC[C@@H](CO)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001395688159 998713944 /nfs/dbraw/zinc/71/39/44/998713944.db2.gz KNTXSXBDUSNPGG-QMMMGPOBSA-N -1 0 322.321 -0.209 20 0 DBADRM CC[C@H](F)C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001395718593 998738123 /nfs/dbraw/zinc/73/81/23/998738123.db2.gz DDJSSPLTDNFIBM-SFYZADRCSA-N -1 0 302.306 -0.621 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001395718588 998738694 /nfs/dbraw/zinc/73/86/94/998738694.db2.gz DDJSSPLTDNFIBM-HTQZYQBOSA-N -1 0 302.306 -0.621 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC23CCC3)c1[O-] ZINC001395727828 998745007 /nfs/dbraw/zinc/74/50/07/998745007.db2.gz CKCBSTUMODKEDC-NXEZZACHSA-N -1 0 322.365 -0.179 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001494393959 1016246317 /nfs/dbraw/zinc/24/63/17/1016246317.db2.gz XVKFIOFOZPNRMU-REIXXSIJSA-N -1 0 323.353 -0.692 20 0 DBADRM CO[C@H](C)C(=O)N(C)C[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001396000307 998814674 /nfs/dbraw/zinc/81/46/74/998814674.db2.gz LOMGQIWVVXLPLP-RKDXNWHRSA-N -1 0 314.342 -0.992 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNC(=O)c2ccoc2)c1[O-] ZINC001396004901 998815851 /nfs/dbraw/zinc/81/58/51/998815851.db2.gz YNYFQZUFBONQEE-JTQLQIEISA-N -1 0 322.321 -0.120 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2cnccn2)c1[O-] ZINC001397372155 999023904 /nfs/dbraw/zinc/02/39/04/999023904.db2.gz SGXWRGMFXCTDMO-SSDOTTSWSA-N -1 0 304.310 -0.238 20 0 DBADRM C[C@H](CNC(=O)CC(C)(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397371848 999023953 /nfs/dbraw/zinc/02/39/53/999023953.db2.gz ACAUPHALJCNOHY-SSDOTTSWSA-N -1 0 311.342 -0.047 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397514142 999068791 /nfs/dbraw/zinc/06/87/91/999068791.db2.gz HUEIRDRWHWAXMA-DJLDLDEBSA-N -1 0 311.342 -0.644 20 0 DBADRM C[C@H](CNC(=O)C[C@H]1CCCC(=O)N1)NC(=O)c1cn[nH]n1 ZINC001397526542 999071608 /nfs/dbraw/zinc/07/16/08/999071608.db2.gz MVTQBFXBBHWOIQ-RKDXNWHRSA-N -1 0 308.342 -0.902 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CCC(F)F ZINC001397524200 999072050 /nfs/dbraw/zinc/07/20/50/999072050.db2.gz XGILHSZAPZLULF-ZCFIWIBFSA-N -1 0 321.284 -0.645 20 0 DBADRM CN(C[C@@H]1CCN1CCF)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001397578423 999086244 /nfs/dbraw/zinc/08/62/44/999086244.db2.gz MJGMZPZLOBYWOT-JTQLQIEISA-N -1 0 322.344 -0.427 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CCNC(=O)c2ncn(C)n2)c1[O-] ZINC001397776681 999128218 /nfs/dbraw/zinc/12/82/18/999128218.db2.gz QNYLJCXUCRPOKJ-SSDOTTSWSA-N -1 0 321.341 -0.509 20 0 DBADRM CCC(CC)C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397875503 999154929 /nfs/dbraw/zinc/15/49/29/999154929.db2.gz CBFOIAUVKKDZEA-UHFFFAOYSA-N -1 0 311.342 -0.093 20 0 DBADRM C[C@H](CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC001494475908 1016287405 /nfs/dbraw/zinc/28/74/05/1016287405.db2.gz DOZFNVHXISNZNC-SECBINFHSA-N -1 0 305.342 -0.342 20 0 DBADRM CC[C@H](C)CC(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397979412 999187993 /nfs/dbraw/zinc/18/79/93/999187993.db2.gz PBGNMMVLYBBQNT-QMMMGPOBSA-N -1 0 311.342 -0.093 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1CC2(CC2)C1 ZINC001397989241 999190542 /nfs/dbraw/zinc/19/05/42/999190542.db2.gz QOHVDPCYIJFKJT-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM CCN(CCNC(=O)C(C)(F)F)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001398046488 999202878 /nfs/dbraw/zinc/20/28/78/999202878.db2.gz LCQOGBOQLDUPHC-UHFFFAOYSA-N -1 0 321.284 -0.691 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1=CCCC1 ZINC001398127819 999213728 /nfs/dbraw/zinc/21/37/28/999213728.db2.gz UJQDNWLOAKISRM-UHFFFAOYSA-N -1 0 323.353 -0.236 20 0 DBADRM CCCN(C(C)=O)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001398415122 999267641 /nfs/dbraw/zinc/26/76/41/999267641.db2.gz GICVWFLRBQDZMK-SNVBAGLBSA-N -1 0 311.342 -0.451 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(CC(=O)NCC3CC3)C2)c1[O-] ZINC001494540142 1016312006 /nfs/dbraw/zinc/31/20/06/1016312006.db2.gz AIAGOYRBLPAZKR-UHFFFAOYSA-N -1 0 321.381 -0.388 20 0 DBADRM CC1(CC(=O)NCC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001398790378 999357234 /nfs/dbraw/zinc/35/72/34/999357234.db2.gz IJNWDRVLRSAYSI-UHFFFAOYSA-N -1 0 321.337 -0.339 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H](C)CC ZINC001399030208 999397734 /nfs/dbraw/zinc/39/77/34/999397734.db2.gz KOTVABOPPGVDJF-DTWKUNHWSA-N -1 0 313.358 -0.254 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CSC ZINC001399033508 999398471 /nfs/dbraw/zinc/39/84/71/999398471.db2.gz PFBXSMMIOSVLBS-LURJTMIESA-N -1 0 315.355 -0.730 20 0 DBADRM CC(C)CC(=O)NC[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001399324723 999412076 /nfs/dbraw/zinc/41/20/76/999412076.db2.gz WWSXONKPMKUMGJ-MRVPVSSYSA-N -1 0 311.342 -0.189 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)[C@@H]2CCOC2)c1[O-] ZINC001399358106 999417900 /nfs/dbraw/zinc/41/79/00/999417900.db2.gz TZAUFJUSKHRALQ-PSASIEDQSA-N -1 0 310.354 -0.058 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)c2ncn(C)n2)c1[O-] ZINC001399362546 999418447 /nfs/dbraw/zinc/41/84/47/999418447.db2.gz WXBBZALKPVKXGC-ZETCQYMHSA-N -1 0 321.341 -0.652 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)C1(C)CC1 ZINC001399413651 999426094 /nfs/dbraw/zinc/42/60/94/999426094.db2.gz YEJIHNFOTCCGNV-SSDOTTSWSA-N -1 0 309.326 -0.435 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)C1(C)CC1 ZINC001399413658 999426234 /nfs/dbraw/zinc/42/62/34/999426234.db2.gz YEJIHNFOTCCGNV-ZETCQYMHSA-N -1 0 309.326 -0.435 20 0 DBADRM CCCC(=O)NC[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)C ZINC001399547071 999443901 /nfs/dbraw/zinc/44/39/01/999443901.db2.gz IBMJPMANDLAFKG-MRVPVSSYSA-N -1 0 311.342 -0.047 20 0 DBADRM CCCC(=O)N[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)C ZINC001399604429 999451575 /nfs/dbraw/zinc/45/15/75/999451575.db2.gz IWCGWWCVGWMNCY-QMMMGPOBSA-N -1 0 311.342 -0.047 20 0 DBADRM CCC(=O)N(C)CCN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001399634331 999455065 /nfs/dbraw/zinc/45/50/65/999455065.db2.gz GKPINFJXNZUQRJ-UHFFFAOYSA-N -1 0 320.353 -0.602 20 0 DBADRM CC[C@H](C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1)N1CCCC1=O ZINC001399661876 999460148 /nfs/dbraw/zinc/46/01/48/999460148.db2.gz VJNQDTRCSGJXEA-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM CC(=O)NC[C@H](O)CNC(=O)c1n[n-]c2ccccc2c1=O ZINC001399769389 999478619 /nfs/dbraw/zinc/47/86/19/999478619.db2.gz UFQXHTAUBOXBOQ-VIFPVBQESA-N -1 0 304.306 -0.438 20 0 DBADRM Cc1ncc(CC(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001494559859 1016322083 /nfs/dbraw/zinc/32/20/83/1016322083.db2.gz WFULKZUTLDGCTN-UHFFFAOYSA-N -1 0 306.326 -0.403 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)CC2CCC2)c1[O-] ZINC001399846615 999503278 /nfs/dbraw/zinc/50/32/78/999503278.db2.gz VDFWTFQGVCJTEY-JTQLQIEISA-N -1 0 310.354 -0.179 20 0 DBADRM Cc1nnc(CC(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001399894924 999517492 /nfs/dbraw/zinc/51/74/92/999517492.db2.gz JNIQMAWWJHNZGE-SECBINFHSA-N -1 0 320.357 -0.882 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001399946174 999531680 /nfs/dbraw/zinc/53/16/80/999531680.db2.gz OEXWWLCNALWVBE-SNVBAGLBSA-N -1 0 319.369 -0.277 20 0 DBADRM CCCN(CCNC(=O)[C@@H](C)n1cncn1)Cc1n[nH]c(=O)[n-]1 ZINC001399956049 999533371 /nfs/dbraw/zinc/53/33/71/999533371.db2.gz KHZMNXFNPWRBOT-SNVBAGLBSA-N -1 0 322.373 -0.309 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001400157976 999572191 /nfs/dbraw/zinc/57/21/91/999572191.db2.gz JOUJBZPLDVHJKL-RBXMUDONSA-N -1 0 321.337 -0.437 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](COC)C(=O)[O-])C1 ZINC001597221470 1017190465 /nfs/dbraw/zinc/19/04/65/1017190465.db2.gz OYZDNCRXNQGUHC-ZJUUUORDSA-N -1 0 322.383 -0.736 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC001597224147 1017190733 /nfs/dbraw/zinc/19/07/33/1017190733.db2.gz LJBKCAWBDUGPEU-ZETCQYMHSA-N -1 0 304.324 -0.078 20 0 DBADRM CCS(=O)(=O)CCN1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001597209831 1017189519 /nfs/dbraw/zinc/18/95/19/1017189519.db2.gz OHHGBCOWMBKDSP-ZJUUUORDSA-N -1 0 307.368 -0.241 20 0 DBADRM CCS(=O)(=O)C1CCN(CCC(=O)N(C)CC(=O)[O-])CC1 ZINC001597203202 1017189585 /nfs/dbraw/zinc/18/95/85/1017189585.db2.gz IDAABFJUSYFYIW-UHFFFAOYSA-N -1 0 320.411 -0.181 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001597223899 1017191444 /nfs/dbraw/zinc/19/14/44/1017191444.db2.gz CALOVRSCDLHVKQ-ZETCQYMHSA-N -1 0 303.340 -0.010 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NCCSCCC(=O)[O-] ZINC001597216034 1017191554 /nfs/dbraw/zinc/19/15/54/1017191554.db2.gz PDWMTIGROAWCPC-UHFFFAOYSA-N -1 0 312.413 -0.408 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001597223853 1017190873 /nfs/dbraw/zinc/19/08/73/1017190873.db2.gz BAYJISHSVILPJT-WPRPVWTQSA-N -1 0 306.384 -0.069 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001597223991 1017191080 /nfs/dbraw/zinc/19/10/80/1017191080.db2.gz GEBIPZYNTQZWBP-RKDXNWHRSA-N -1 0 308.356 -0.984 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001597249010 1017193749 /nfs/dbraw/zinc/19/37/49/1017193749.db2.gz FMQGZAIPGZFDAE-ASSNKEHSSA-N -1 0 318.395 -0.416 20 0 DBADRM CCS(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001597225658 1017194050 /nfs/dbraw/zinc/19/40/50/1017194050.db2.gz VMPBHOYSKCZCDP-ZJUUUORDSA-N -1 0 322.383 -0.736 20 0 DBADRM CC[S@@](=O)CCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001597248757 1017194249 /nfs/dbraw/zinc/19/42/49/1017194249.db2.gz CABPQPSKWAHLJQ-GWNMQOMSSA-N -1 0 304.368 -0.806 20 0 DBADRM CN(CC(F)(F)F)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591043832 1016375096 /nfs/dbraw/zinc/37/50/96/1016375096.db2.gz JOKFOMQYOYGRPC-UHFFFAOYSA-N -1 0 319.251 -0.338 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@H]2CCN(C)C2=O)c1[O-] ZINC001494678613 1016377618 /nfs/dbraw/zinc/37/76/18/1016377618.db2.gz MAHFKUABLODOCK-IONNQARKSA-N -1 0 323.353 -0.863 20 0 DBADRM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001591067811 1016380509 /nfs/dbraw/zinc/38/05/09/1016380509.db2.gz LQDFWDLSSQCRMG-VIFPVBQESA-N -1 0 306.384 -0.117 20 0 DBADRM CCc1cc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)n[nH]1 ZINC001597471162 1017198686 /nfs/dbraw/zinc/19/86/86/1017198686.db2.gz SDNHASFCXLIFQF-LDYMZIIASA-N -1 0 308.338 -0.090 20 0 DBADRM CN(C[C@@H]1CCOC1)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591063170 1016382122 /nfs/dbraw/zinc/38/21/22/1016382122.db2.gz PBPDVPHGSCMBKX-VIFPVBQESA-N -1 0 324.366 -0.081 20 0 DBADRM CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001597562914 1017201093 /nfs/dbraw/zinc/20/10/93/1017201093.db2.gz ZDSRCWHVLOYYPN-NSHDSACASA-N -1 0 315.347 -0.172 20 0 DBADRM CC(C)CC(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001591105162 1016388827 /nfs/dbraw/zinc/38/88/27/1016388827.db2.gz OVNUGLBUZRGNIC-GHMZBOCLSA-N -1 0 312.366 -0.167 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C)/C=C/C(=O)[O-] ZINC001591108966 1016390182 /nfs/dbraw/zinc/39/01/82/1016390182.db2.gz PTPZIAYQCLYFPE-NUNSBDKSSA-N -1 0 313.354 -0.462 20 0 DBADRM CN(CCc1cccc(-c2nn[nH]n2)c1)C(=O)COCC(=O)[O-] ZINC001591118794 1016391774 /nfs/dbraw/zinc/39/17/74/1016391774.db2.gz ZGHYFAFCIZDUCG-UHFFFAOYSA-N -1 0 319.321 -0.031 20 0 DBADRM CC(C)CC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001591111949 1016393394 /nfs/dbraw/zinc/39/33/94/1016393394.db2.gz ZZXRKSRPSLLDAM-ZJUUUORDSA-N -1 0 308.338 -0.113 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C)CC(=O)[O-] ZINC001591109242 1016393736 /nfs/dbraw/zinc/39/37/36/1016393736.db2.gz ZEVGSALVXZWOSE-DTWKUNHWSA-N -1 0 301.343 -0.628 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC[C@]2(CCOC2=O)C1 ZINC001420705268 1000211982 /nfs/dbraw/zinc/21/19/82/1000211982.db2.gz LDAKVRAUZAWRQI-AWEZNQCLSA-N -1 0 302.290 -0.198 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCN1c1cnccn1 ZINC001420712281 1000213119 /nfs/dbraw/zinc/21/31/19/1000213119.db2.gz UKMKPMLWROLDPV-QMMMGPOBSA-N -1 0 317.309 -0.576 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CNCc2cn(C)nn2)C2CC2)c1[O-] ZINC001420722783 1000218934 /nfs/dbraw/zinc/21/89/34/1000218934.db2.gz KWPUDVZRDFMRGU-NSHDSACASA-N -1 0 319.369 -0.150 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)C[C@H]2CCNC2=O)c1[O-] ZINC001408549182 1000219179 /nfs/dbraw/zinc/21/91/79/1000219179.db2.gz BXNRHPFQMJEJMD-SECBINFHSA-N -1 0 323.353 -0.862 20 0 DBADRM CN(c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)[C@@H]1CCSC1 ZINC001591154693 1016394810 /nfs/dbraw/zinc/39/48/10/1016394810.db2.gz FGUSLIOOHDRFTK-ZCFIWIBFSA-N -1 0 309.355 -0.805 20 0 DBADRM CN(c1nncs1)S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001591161588 1016395420 /nfs/dbraw/zinc/39/54/20/1016395420.db2.gz KYJVBJKRQZASCO-UHFFFAOYSA-N -1 0 324.351 -0.062 20 0 DBADRM CC(C)C[C@H](CNC(=O)c1nc(N)nc(N(C)C)n1)C(=O)[O-] ZINC001591160352 1016395900 /nfs/dbraw/zinc/39/59/00/1016395900.db2.gz URLBJYQAOFQNBI-MRVPVSSYSA-N -1 0 310.358 -0.004 20 0 DBADRM CC(C)C[C@H](C)NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001591138222 1016396815 /nfs/dbraw/zinc/39/68/15/1016396815.db2.gz SUICRULBOSHAND-DCAQKATOSA-N -1 0 300.355 -0.169 20 0 DBADRM CN(c1ccnc(-c2nn[nH]n2)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001591157407 1016396891 /nfs/dbraw/zinc/39/68/91/1016396891.db2.gz INQXPZAPPRNCRS-SNVBAGLBSA-N -1 0 323.382 -0.268 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H](CNCc1ccon1)C1CC1 ZINC001420799295 1000246661 /nfs/dbraw/zinc/24/66/61/1000246661.db2.gz QEUXYYRPYJRGCC-JTQLQIEISA-N -1 0 322.325 -0.638 20 0 DBADRM Cn1ccc(CC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001420838017 1000261739 /nfs/dbraw/zinc/26/17/39/1000261739.db2.gz WOKIRPNNMMNFBJ-JTQLQIEISA-N -1 0 305.342 -0.823 20 0 DBADRM CO[C@]1(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CCSC1 ZINC001420865510 1000273969 /nfs/dbraw/zinc/27/39/69/1000273969.db2.gz AQLTVWAPEDLQQF-SECBINFHSA-N -1 0 306.369 -0.331 20 0 DBADRM C[C@]1(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CCNC(=O)C1 ZINC001420879566 1000278608 /nfs/dbraw/zinc/27/86/08/1000278608.db2.gz YDJPJMBCJSLGIK-JTQLQIEISA-N -1 0 301.328 -0.937 20 0 DBADRM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001420881077 1000280155 /nfs/dbraw/zinc/28/01/55/1000280155.db2.gz WPFOUURLFDFZCF-MWLCHTKSSA-N -1 0 319.369 -0.197 20 0 DBADRM CSCC(=O)N[C@H](C)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001494728251 1016400271 /nfs/dbraw/zinc/40/02/71/1016400271.db2.gz PVVCTKOATFBUBS-MRVPVSSYSA-N -1 0 323.378 -0.380 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@@H]1C[C@H]1C ZINC001408775561 1000293781 /nfs/dbraw/zinc/29/37/81/1000293781.db2.gz HJRIBYPVWKWZHB-RKDXNWHRSA-N -1 0 311.342 -0.690 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)C(=O)NCCc1ccccc1 ZINC001420926663 1000296304 /nfs/dbraw/zinc/29/63/04/1000296304.db2.gz BDEVMLMAGGGVLG-VIFPVBQESA-N -1 0 303.322 -0.013 20 0 DBADRM CN(C[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]2)C1)S(C)(=O)=O ZINC001420932511 1000298100 /nfs/dbraw/zinc/29/81/00/1000298100.db2.gz RUCNNSWKOYJTPI-QMMMGPOBSA-N -1 0 317.371 -0.746 20 0 DBADRM CN1C(=O)C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1=O ZINC001591163785 1016401880 /nfs/dbraw/zinc/40/18/80/1016401880.db2.gz XBBKBZXMNKAKRV-MRVPVSSYSA-N -1 0 316.277 -0.941 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)c1cnn2c1CCC2 ZINC001420955895 1000311167 /nfs/dbraw/zinc/31/11/67/1000311167.db2.gz STUGVYFPPVGWRU-UHFFFAOYSA-N -1 0 317.353 -0.295 20 0 DBADRM CC(=O)N(CCNC(=O)CCCn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001408924111 1000318498 /nfs/dbraw/zinc/31/84/98/1000318498.db2.gz ZAVCQODJGCCJPD-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001408931371 1000320640 /nfs/dbraw/zinc/32/06/40/1000320640.db2.gz DFEPBXWIVZFKLG-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)[C@@H]1CCC(=O)N1C)C(=O)[O-] ZINC001591169947 1016406709 /nfs/dbraw/zinc/40/67/09/1016406709.db2.gz MBCNGZPYMOVPTD-ZJUUUORDSA-N -1 0 314.338 -0.234 20 0 DBADRM CCC1(C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001409104182 1000364562 /nfs/dbraw/zinc/36/45/62/1000364562.db2.gz DTAIEKXQJPTNBG-UHFFFAOYSA-N -1 0 307.310 -0.586 20 0 DBADRM CN(Cn1cccc(-c2nnn[n-]2)c1=O)[C@H]1CCN(C)C1=O ZINC001591179360 1016408425 /nfs/dbraw/zinc/40/84/25/1016408425.db2.gz LOZKRCJWQJWIQI-JTQLQIEISA-N -1 0 303.326 -0.852 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)Cn3ccnc3)C2)c1[O-] ZINC001409155416 1000384481 /nfs/dbraw/zinc/38/44/81/1000384481.db2.gz QRHVWCYBRCWXIL-UHFFFAOYSA-N -1 0 318.337 -0.491 20 0 DBADRM Cc1cc(C)n(CC(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001421150072 1000385673 /nfs/dbraw/zinc/38/56/73/1000385673.db2.gz RVIJACYQDVDPFW-UHFFFAOYSA-N -1 0 319.369 -0.428 20 0 DBADRM CCC(=O)N1CC(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001409167150 1000390202 /nfs/dbraw/zinc/39/02/02/1000390202.db2.gz BBBLCKBIPHMBKF-UHFFFAOYSA-N -1 0 318.337 -0.944 20 0 DBADRM O=C(Cc1c[nH]cn1)NCC1CN(C(=O)c2ncccc2O)C1 ZINC001409186545 1000394876 /nfs/dbraw/zinc/39/48/76/1000394876.db2.gz YDJXDVZVVQFMGO-UHFFFAOYSA-N -1 0 315.333 -0.059 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421196606 1000403458 /nfs/dbraw/zinc/40/34/58/1000403458.db2.gz UHDYFVJOGJVKHX-CYBMUJFWSA-N -1 0 310.358 -0.931 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CCCF ZINC001409389828 1000445152 /nfs/dbraw/zinc/44/51/52/1000445152.db2.gz SUOLZKOPQKWYQG-SSDOTTSWSA-N -1 0 315.305 -0.343 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cncs1 ZINC001421335507 1000447079 /nfs/dbraw/zinc/44/70/79/1000447079.db2.gz FIXJFUSOLAEMFU-GFCCVEGCSA-N -1 0 324.366 -0.666 20 0 DBADRM CCN(C(=O)[C@@H](C)NC(C)=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421355593 1000460784 /nfs/dbraw/zinc/46/07/84/1000460784.db2.gz QMHSXEOJFSOFIG-KOLCDFICSA-N -1 0 324.385 -0.542 20 0 DBADRM C[C@H](CNC(=O)CCc1cnn(C)n1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001409616625 1000485474 /nfs/dbraw/zinc/48/54/74/1000485474.db2.gz LFJVKMXNVULCFF-SECBINFHSA-N -1 0 322.373 -0.792 20 0 DBADRM CN1CCO[C@@H](C(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)C1 ZINC001591194910 1016418127 /nfs/dbraw/zinc/41/81/27/1016418127.db2.gz MNGJFPYQPFYOAL-LLVKDONJSA-N -1 0 304.310 -0.393 20 0 DBADRM CC[C@H](SC)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421426565 1000502477 /nfs/dbraw/zinc/50/24/77/1000502477.db2.gz PAMYODVAERHJAJ-QMMMGPOBSA-N -1 0 315.399 -0.685 20 0 DBADRM Cc1nocc1CN(C)[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001409669898 1000502713 /nfs/dbraw/zinc/50/27/13/1000502713.db2.gz XAKFMLHOYJOUDS-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM CC[C@H](CNC(=O)Cc1cnoc1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001421456642 1000517198 /nfs/dbraw/zinc/51/71/98/1000517198.db2.gz SFPQLKUYSUFZFO-SNVBAGLBSA-N -1 0 308.342 -0.677 20 0 DBADRM CCC[C@@H](CC)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421493434 1000531474 /nfs/dbraw/zinc/53/14/74/1000531474.db2.gz LQFMDENRJOJAOJ-SNVBAGLBSA-N -1 0 311.386 -0.001 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001409898247 1000546754 /nfs/dbraw/zinc/54/67/54/1000546754.db2.gz DDXJJPSZZDLXML-LDYMZIIASA-N -1 0 324.385 -0.639 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001421695321 1000594510 /nfs/dbraw/zinc/59/45/10/1000594510.db2.gz SRGWEPANODRAHN-VHSXEESVSA-N -1 0 313.358 -0.748 20 0 DBADRM CCc1nnsc1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597741943 1017205073 /nfs/dbraw/zinc/20/50/73/1017205073.db2.gz TXLQADVYAFCGGJ-YUMQZZPRSA-N -1 0 324.362 -0.238 20 0 DBADRM CCC1(C(=O)NC[C@H](O)CNC(=O)c2cnc[nH]c2=O)CCC1 ZINC001410150178 1000649532 /nfs/dbraw/zinc/64/95/32/1000649532.db2.gz XAQUECICLWVXBG-SNVBAGLBSA-N -1 0 322.365 -0.031 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNCc2nnnn2C)c1[O-] ZINC001421889359 1000657291 /nfs/dbraw/zinc/65/72/91/1000657291.db2.gz LOQQPDJRIIOLRI-ZETCQYMHSA-N -1 0 308.346 -0.802 20 0 DBADRM O=C(Cn1ccnc1)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001410163154 1000657317 /nfs/dbraw/zinc/65/73/17/1000657317.db2.gz UWBNFFQJZZJFPZ-RTCCRHLQSA-N -1 0 317.353 -0.799 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001410176195 1000663425 /nfs/dbraw/zinc/66/34/25/1000663425.db2.gz JZNPGHXAPYIMMO-PRQTWWFRSA-N -1 0 308.338 -0.449 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC12CCC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001410250500 1000698063 /nfs/dbraw/zinc/69/80/63/1000698063.db2.gz LIHAQTMDAHAAFD-HTQZYQBOSA-N -1 0 321.337 -0.293 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H](C)CNC(=O)CC1CC1 ZINC001410262515 1000699114 /nfs/dbraw/zinc/69/91/14/1000699114.db2.gz YSRJWYGCHMUMCU-SSDOTTSWSA-N -1 0 324.337 -0.069 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001422072628 1000715924 /nfs/dbraw/zinc/71/59/24/1000715924.db2.gz FQVYOLFPJDIYCM-JTQLQIEISA-N -1 0 324.385 -0.637 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@H]2CCNC(=O)C2)c1[O-] ZINC001410338818 1000728995 /nfs/dbraw/zinc/72/89/95/1000728995.db2.gz MRNVAQWKRNZEPO-CBAPKCEASA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@@H]2CCNC(=O)C2)c1[O-] ZINC001410350311 1000732333 /nfs/dbraw/zinc/73/23/33/1000732333.db2.gz XVNXYKYTBPMXJX-IONNQARKSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1nnsc1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001422143792 1000736372 /nfs/dbraw/zinc/73/63/72/1000736372.db2.gz SRCIGQUXOFIOAS-UHFFFAOYSA-N -1 0 311.371 -0.126 20 0 DBADRM CN(CCN(C)C(=O)CCCn1cncn1)Cc1n[nH]c(=O)[n-]1 ZINC001422214751 1000768490 /nfs/dbraw/zinc/76/84/90/1000768490.db2.gz YYDIJXIPQNALEK-UHFFFAOYSA-N -1 0 322.373 -0.528 20 0 DBADRM COc1cncc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001422212196 1000768742 /nfs/dbraw/zinc/76/87/42/1000768742.db2.gz LLNXBRBSKNEISO-UHFFFAOYSA-N -1 0 321.341 -0.487 20 0 DBADRM COc1ccc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001422210603 1000768826 /nfs/dbraw/zinc/76/88/26/1000768826.db2.gz BUYLFWXPGWGNCP-UHFFFAOYSA-N -1 0 321.341 -0.487 20 0 DBADRM CC[C@H](C)C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001410557209 1000804186 /nfs/dbraw/zinc/80/41/86/1000804186.db2.gz VHHLPXVTMAHSED-DTWKUNHWSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1csc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001410612193 1000830608 /nfs/dbraw/zinc/83/06/08/1000830608.db2.gz DNKPGIMQZMVFAF-QMMMGPOBSA-N -1 0 311.367 -0.239 20 0 DBADRM COC(=O)/C(C)=C/COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591230048 1016443084 /nfs/dbraw/zinc/44/30/84/1016443084.db2.gz YINAZIGARVSDQS-RXLGXGPVSA-N -1 0 321.297 -0.318 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3ncn(C)n3)CC2)c1[O-] ZINC001410716442 1000872912 /nfs/dbraw/zinc/87/29/12/1000872912.db2.gz ZNIFZEYSEDQWBC-UHFFFAOYSA-N -1 0 319.325 -0.755 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3csnn3)CC2)c1[O-] ZINC001410726301 1000878236 /nfs/dbraw/zinc/87/82/36/1000878236.db2.gz UYXLWFFVHQLLFB-UHFFFAOYSA-N -1 0 322.350 -0.032 20 0 DBADRM CCn1ncc(CNC[C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001422484580 1000882367 /nfs/dbraw/zinc/88/23/67/1000882367.db2.gz OPLYHGCTJNWXTM-MRVPVSSYSA-N -1 0 307.358 -0.057 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCNC(=O)CC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422535589 1000899748 /nfs/dbraw/zinc/89/97/48/1000899748.db2.gz GAOZAQRVHZAAMZ-VHSXEESVSA-N -1 0 324.385 -0.637 20 0 DBADRM O=C(CCCF)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001410780091 1000901296 /nfs/dbraw/zinc/90/12/96/1000901296.db2.gz ONGKAELEOYCOHH-UHFFFAOYSA-N -1 0 315.305 -0.796 20 0 DBADRM CCCCC(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001410782081 1000903861 /nfs/dbraw/zinc/90/38/61/1000903861.db2.gz QSMYNIQSKVVOGI-UHFFFAOYSA-N -1 0 311.342 -0.356 20 0 DBADRM COC(=O)[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)C ZINC001591235466 1016445862 /nfs/dbraw/zinc/44/58/62/1016445862.db2.gz UPKJMACGWJCFES-YUMQZZPRSA-N -1 0 322.329 -0.667 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCn1ccnn1 ZINC001422805489 1001016167 /nfs/dbraw/zinc/01/61/67/1001016167.db2.gz KNYWGFHDBGEDSS-SECBINFHSA-N -1 0 308.346 -0.871 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001422817718 1001022015 /nfs/dbraw/zinc/02/20/15/1001022015.db2.gz DTQMZVLWFZPEBD-VHSXEESVSA-N -1 0 324.385 -0.637 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)c1ccc[nH]1 ZINC001411153913 1001044578 /nfs/dbraw/zinc/04/45/78/1001044578.db2.gz ASLFUCLPQSXKAI-SECBINFHSA-N -1 0 308.342 -0.597 20 0 DBADRM COC(=O)Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C2CC2)c1=O ZINC001591270727 1016460757 /nfs/dbraw/zinc/46/07/57/1016460757.db2.gz FGQXYCFTBGKRMG-UHFFFAOYSA-N -1 0 306.282 -0.994 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)[C@H]1CC1(C)C ZINC001411166967 1001053889 /nfs/dbraw/zinc/05/38/89/1001053889.db2.gz XPTDZHXVJWIPTK-NXEZZACHSA-N -1 0 311.386 -0.193 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)[C@@H]1CC1(C)C ZINC001411166984 1001053902 /nfs/dbraw/zinc/05/39/02/1001053902.db2.gz XPTDZHXVJWIPTK-ZJUUUORDSA-N -1 0 311.386 -0.193 20 0 DBADRM COC(=O)C[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591270481 1016461362 /nfs/dbraw/zinc/46/13/62/1016461362.db2.gz XILIREFRXQUFSX-LURJTMIESA-N -1 0 315.311 -0.310 20 0 DBADRM Cc1coc(C(=O)N(C)C[C@@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)c1 ZINC001411178399 1001060976 /nfs/dbraw/zinc/06/09/76/1001060976.db2.gz IGKRXTNJCMBZNY-JTQLQIEISA-N -1 0 323.353 -0.023 20 0 DBADRM C[C@H](CN(C)[C@@H](C)C(N)=O)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001422916107 1001061744 /nfs/dbraw/zinc/06/17/44/1001061744.db2.gz VGYQTELCSSJUSK-SFYZADRCSA-N -1 0 321.337 -0.148 20 0 DBADRM CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001411193111 1001070601 /nfs/dbraw/zinc/07/06/01/1001070601.db2.gz DJIYWQFINZYJLH-ZJUUUORDSA-N -1 0 324.385 -0.700 20 0 DBADRM COCCN(CCNC(=O)[C@H]1CCCO1)Cc1n[nH]c(=O)[n-]1 ZINC001411215348 1001075724 /nfs/dbraw/zinc/07/57/24/1001075724.db2.gz IRSNLODNBVWNEA-SNVBAGLBSA-N -1 0 313.358 -0.746 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@@H](C)S(C)(=O)=O)cc1=O ZINC001411321082 1001097807 /nfs/dbraw/zinc/09/78/07/1001097807.db2.gz GBXHCZWLDVEYDA-SNVBAGLBSA-N -1 0 317.411 -0.076 20 0 DBADRM COC(=O)[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001591278500 1016468382 /nfs/dbraw/zinc/46/83/82/1016468382.db2.gz USSFLTGNOGYJMG-YUMQZZPRSA-N -1 0 305.298 -0.577 20 0 DBADRM O=C(CCn1cccn1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001423175321 1001145161 /nfs/dbraw/zinc/14/51/61/1001145161.db2.gz QRTIXXQQOUGEAK-UHFFFAOYSA-N -1 0 305.342 -0.465 20 0 DBADRM CC(C)CN(CC(=O)[O-])CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC001591304937 1016473339 /nfs/dbraw/zinc/47/33/39/1016473339.db2.gz TZDCYWWJPMPHPJ-ZDUSSCGKSA-N -1 0 314.382 -0.014 20 0 DBADRM COC(C)(C)CCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001591316227 1016473918 /nfs/dbraw/zinc/47/39/18/1016473918.db2.gz HJCHWOXEAQGXSG-UHFFFAOYSA-N -1 0 323.357 -0.509 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC12CCC2 ZINC001494890738 1016473877 /nfs/dbraw/zinc/47/38/77/1016473877.db2.gz LIOPYQOSBKDWCJ-SFYZADRCSA-N -1 0 321.337 -0.293 20 0 DBADRM COC(=O)c1nccnc1NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591307787 1016473999 /nfs/dbraw/zinc/47/39/99/1016473999.db2.gz GUGNRNZAMWRMOK-UHFFFAOYSA-N -1 0 316.285 -0.853 20 0 DBADRM CNC(=O)CN(C)C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001411614345 1001176662 /nfs/dbraw/zinc/17/66/62/1001176662.db2.gz QMOPYUBHWWCBTQ-UHFFFAOYSA-N -1 0 318.337 -0.610 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)c2c[n-]ncc2=O)CC1 ZINC001411633829 1001185045 /nfs/dbraw/zinc/18/50/45/1001185045.db2.gz ZQMROOXMCRDASG-UHFFFAOYSA-N -1 0 300.340 -0.664 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001591290116 1016469838 /nfs/dbraw/zinc/46/98/38/1016469838.db2.gz WGFJGZQWZOKUFU-UHFFFAOYSA-N -1 0 307.416 -0.089 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2COCCO2)c1 ZINC001591287088 1016470000 /nfs/dbraw/zinc/47/00/00/1016470000.db2.gz VHPAUKWIMPQNFG-SECBINFHSA-N -1 0 321.293 -0.770 20 0 DBADRM O=C(CO)NCCC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC001411731876 1001208377 /nfs/dbraw/zinc/20/83/77/1001208377.db2.gz HPJKMXKFLZRPAB-UHFFFAOYSA-N -1 0 306.278 -0.533 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001411754226 1001215686 /nfs/dbraw/zinc/21/56/86/1001215686.db2.gz FLYIZQBAUPHNLC-MRVPVSSYSA-N -1 0 317.305 -0.773 20 0 DBADRM CN(C)[C@@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)c1cncn1C ZINC001411772184 1001222232 /nfs/dbraw/zinc/22/22/32/1001222232.db2.gz HFFRSINETNMQNP-GHMZBOCLSA-N -1 0 320.357 -0.864 20 0 DBADRM C[C@H](Oc1ccccn1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001411780730 1001224669 /nfs/dbraw/zinc/22/46/69/1001224669.db2.gz TVFZBIKOPFHERA-UWVGGRQHSA-N -1 0 304.310 -0.038 20 0 DBADRM Cn1nc2c(c1C(=O)N1CCO[C@@H](c3nnn[n-]3)C1)CCC2 ZINC001411784362 1001226148 /nfs/dbraw/zinc/22/61/48/1001226148.db2.gz XIYVQQNVHWKWOX-SNVBAGLBSA-N -1 0 303.326 -0.364 20 0 DBADRM COC(=O)c1coc(C(=O)Cn2cc(-c3nnn[n-]3)nn2)c1 ZINC001591305348 1016476192 /nfs/dbraw/zinc/47/61/92/1016476192.db2.gz ANSDFPSNTXGADQ-UHFFFAOYSA-N -1 0 303.238 -0.279 20 0 DBADRM CCOC(=O)[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)(C)C ZINC001411860895 1001237538 /nfs/dbraw/zinc/23/75/38/1001237538.db2.gz NNACGPDTOVBVGD-MRVPVSSYSA-N -1 0 300.315 -0.217 20 0 DBADRM CCOC(=O)N1CSC[C@H]1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001411881988 1001239101 /nfs/dbraw/zinc/23/91/01/1001239101.db2.gz HQTFJEYECANDEF-LURJTMIESA-N -1 0 301.328 -0.342 20 0 DBADRM CC(C)CN(CC(N)=O)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001591320488 1016478012 /nfs/dbraw/zinc/47/80/12/1016478012.db2.gz IRCIMXCGYYGWCK-JTQLQIEISA-N -1 0 313.354 -0.721 20 0 DBADRM O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001411938721 1001257297 /nfs/dbraw/zinc/25/72/97/1001257297.db2.gz OQVZAEKJEBMKOC-NXEZZACHSA-N -1 0 311.367 -0.146 20 0 DBADRM CN(C)[C@@]1(C(=O)NCc2nc(=O)o[n-]2)COc2ccccc2C1 ZINC001411953016 1001260872 /nfs/dbraw/zinc/26/08/72/1001260872.db2.gz NWFWOYIJCCMXQJ-OAHLLOKOSA-N -1 0 318.333 -0.085 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1cccc(=O)[nH]1 ZINC001411956908 1001262571 /nfs/dbraw/zinc/26/25/71/1001262571.db2.gz XOSWUMJONRXCRI-UHFFFAOYSA-N -1 0 300.278 -0.512 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(CC(=O)NCc2nc(=O)o[n-]2)C1 ZINC001411954780 1001262804 /nfs/dbraw/zinc/26/28/04/1001262804.db2.gz QGBWZSBFEDPURI-SECBINFHSA-N -1 0 312.326 -0.746 20 0 DBADRM C[C@H](CN(C)C(=O)C[C@@H]1CCS(=O)(=O)C1)c1nnn[n-]1 ZINC001411992569 1001271801 /nfs/dbraw/zinc/27/18/01/1001271801.db2.gz SLSWGLCHQJYQMH-BDAKNGLRSA-N -1 0 301.372 -0.414 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC001412022747 1001280968 /nfs/dbraw/zinc/28/09/68/1001280968.db2.gz TYUOEPXAAOREBN-DTWKUNHWSA-N -1 0 310.310 -0.714 20 0 DBADRM COc1cccc(O)c1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001412030479 1001283793 /nfs/dbraw/zinc/28/37/93/1001283793.db2.gz QQNYLPCKBKJTOW-UHFFFAOYSA-N -1 0 316.335 -0.404 20 0 DBADRM CO[C@@H]([C@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001591326001 1016483606 /nfs/dbraw/zinc/48/36/06/1016483606.db2.gz FUPQEJWFZNINJI-XVKPBYJWSA-N -1 0 306.330 -0.612 20 0 DBADRM CN(C(=O)C[N@H+](C)C1CCC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423409221 1001284736 /nfs/dbraw/zinc/28/47/36/1001284736.db2.gz VPILHLKUBMPVHE-UHFFFAOYSA-N -1 0 308.386 -0.363 20 0 DBADRM COC(OC)[C@@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591333840 1016483816 /nfs/dbraw/zinc/48/38/16/1016483816.db2.gz KDPHNVSKTVSIPV-RQJHMYQMSA-N -1 0 310.318 -0.857 20 0 DBADRM CO[C@@H](COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001591333597 1016483999 /nfs/dbraw/zinc/48/39/99/1016483999.db2.gz CQFLTBSZMJTMEW-CBAPKCEASA-N -1 0 307.314 -0.013 20 0 DBADRM NC(=O)c1cc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)c[nH]1 ZINC001412047072 1001288120 /nfs/dbraw/zinc/28/81/20/1001288120.db2.gz RJGBTMSJTHWKGP-QMMMGPOBSA-N -1 0 307.339 -0.443 20 0 DBADRM C[C@@H](C(=O)N1CCC(O)(c2nnn[n-]2)CC1)c1cnccn1 ZINC001412058683 1001290215 /nfs/dbraw/zinc/29/02/15/1001290215.db2.gz UBFVJJFRMFCARM-SECBINFHSA-N -1 0 303.326 -0.397 20 0 DBADRM CCOCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001412058420 1001291012 /nfs/dbraw/zinc/29/10/12/1001291012.db2.gz MAGYUKXROYXFFE-RTCCRHLQSA-N -1 0 322.365 -0.106 20 0 DBADRM O=C(c1cc2n(n1)CCCC2)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412058724 1001291294 /nfs/dbraw/zinc/29/12/94/1001291294.db2.gz UFJPQBYPSYRTAN-UHFFFAOYSA-N -1 0 317.353 -0.144 20 0 DBADRM O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001412060781 1001292116 /nfs/dbraw/zinc/29/21/16/1001292116.db2.gz TWEVNIZEKMMUHT-VHSXEESVSA-N -1 0 313.383 -0.270 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001412072662 1001295107 /nfs/dbraw/zinc/29/51/07/1001295107.db2.gz IKUUOLKHXUFNQO-RFAUZJTJSA-N -1 0 314.301 -0.068 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1noc(C(F)(F)F)n1 ZINC001412075826 1001295604 /nfs/dbraw/zinc/29/56/04/1001295604.db2.gz OVJSHYWRGKSSKQ-UHFFFAOYSA-N -1 0 308.176 -0.593 20 0 DBADRM CNC(=O)[C@]1(C)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001412086507 1001297264 /nfs/dbraw/zinc/29/72/64/1001297264.db2.gz OYKZIISWIAKUHN-CYBMUJFWSA-N -1 0 311.342 -0.546 20 0 DBADRM Cn1nnc(CNC(=O)c2nc[n-]c(=O)c2Br)n1 ZINC001412088146 1001297470 /nfs/dbraw/zinc/29/74/70/1001297470.db2.gz CLWATCQWVBFDNQ-UHFFFAOYSA-N -1 0 314.103 -0.602 20 0 DBADRM Cc1nc(CNC[C@@H](O)CN(C)C(=O)c2n[nH]c(C)c2[O-])co1 ZINC001423436346 1001300509 /nfs/dbraw/zinc/30/05/09/1001300509.db2.gz WHXWRGUDKVBICB-LLVKDONJSA-N -1 0 323.353 -0.057 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H](CO)Cc1ccc(F)cc1 ZINC001412098497 1001300852 /nfs/dbraw/zinc/30/08/52/1001300852.db2.gz YIXXCWAQQPSOIT-JTQLQIEISA-N -1 0 310.285 -0.452 20 0 DBADRM CO[C@@H]1CN(C(=O)c2nc[n-]c(=O)c2Br)C[C@H]1O ZINC001412131792 1001308639 /nfs/dbraw/zinc/30/86/39/1001308639.db2.gz GCHVSTGCQZNCQW-PHDIDXHHSA-N -1 0 318.127 -0.224 20 0 DBADRM CO[C@@H]1CCC[C@@H]1CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591363477 1016486290 /nfs/dbraw/zinc/48/62/90/1016486290.db2.gz XCVQMFLVCJZLBK-HTQZYQBOSA-N -1 0 321.341 -0.107 20 0 DBADRM CO[C@@H]1CCCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001591355270 1016486437 /nfs/dbraw/zinc/48/64/37/1016486437.db2.gz WMAFVSJJRZPUSS-SECBINFHSA-N -1 0 321.345 -0.721 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)cc1=O ZINC001412185983 1001326116 /nfs/dbraw/zinc/32/61/16/1001326116.db2.gz CFYFYJGTYXOZGX-SNVBAGLBSA-N -1 0 306.326 -0.313 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)Cn2cc([C@H](C)O)nn2)[n-]1 ZINC001412207871 1001332187 /nfs/dbraw/zinc/33/21/87/1001332187.db2.gz KCSNQXDIKKJDJQ-ZETCQYMHSA-N -1 0 308.298 -0.130 20 0 DBADRM COC(=O)[C@@](C)(CO)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001412210630 1001333536 /nfs/dbraw/zinc/33/35/36/1001333536.db2.gz CRFNMFBTSACCSD-CQSZACIVSA-N -1 0 313.354 -0.585 20 0 DBADRM CO[C@]1(C)CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001591340083 1016482021 /nfs/dbraw/zinc/48/20/21/1016482021.db2.gz YZVIQEDORHCTAS-CYBMUJFWSA-N -1 0 321.341 -0.741 20 0 DBADRM Cn1ccnc1[C@H]1C[C@H](NC(=O)CCc2nnn[n-]2)CCO1 ZINC001412226735 1001340076 /nfs/dbraw/zinc/34/00/76/1001340076.db2.gz LTNNPSVYMDYPKY-NXEZZACHSA-N -1 0 305.342 -0.098 20 0 DBADRM CN(C(=O)c1nc(S(C)(=O)=O)ccc1Cl)c1nnn[n-]1 ZINC001412228024 1001340127 /nfs/dbraw/zinc/34/01/27/1001340127.db2.gz PMHDTWUBXYPIFG-UHFFFAOYSA-N -1 0 316.730 -0.072 20 0 DBADRM CS(=O)(=O)c1ccccc1CNC(=O)CCc1nnn[n-]1 ZINC001412238346 1001342638 /nfs/dbraw/zinc/34/26/38/1001342638.db2.gz ASVNLUWXQFJAOI-UHFFFAOYSA-N -1 0 309.351 -0.148 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H](CO)[C@H]1CCCOC1 ZINC001412246764 1001346690 /nfs/dbraw/zinc/34/66/90/1001346690.db2.gz IKVRCHYKOPGHCH-UWVGGRQHSA-N -1 0 314.342 -0.627 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001412266916 1001352596 /nfs/dbraw/zinc/35/25/96/1001352596.db2.gz JHKWBJWGNRPRSU-QMMMGPOBSA-N -1 0 320.371 -0.542 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001412292675 1001359933 /nfs/dbraw/zinc/35/99/33/1001359933.db2.gz PHQCVEXUQRHPBP-UHFFFAOYSA-N -1 0 301.324 -0.854 20 0 DBADRM C[C@@H]1NC(=O)[C@H](C)N(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001412299518 1001361398 /nfs/dbraw/zinc/36/13/98/1001361398.db2.gz VUUWPGYQGKMNAF-CIUDSAMLSA-N -1 0 311.342 -0.407 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423557950 1001374868 /nfs/dbraw/zinc/37/48/68/1001374868.db2.gz BWYCMCIFYHCNNO-YMTOWFKASA-N -1 0 324.385 -0.494 20 0 DBADRM CC(C)CN1CCN(C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001591364406 1016490398 /nfs/dbraw/zinc/49/03/98/1016490398.db2.gz BCVHLUICSPERDE-VXGBXAGGSA-N -1 0 311.382 -0.377 20 0 DBADRM CN(C(=O)Cc1ccccc1NS(C)(=O)=O)c1nnn[n-]1 ZINC001412377158 1001380644 /nfs/dbraw/zinc/38/06/44/1001380644.db2.gz PAVWYRGXEWWBDY-UHFFFAOYSA-N -1 0 310.339 -0.223 20 0 DBADRM CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(C)c1nnn[n-]1 ZINC001412378033 1001380834 /nfs/dbraw/zinc/38/08/34/1001380834.db2.gz UNYIDHOUXVRCKP-ZETCQYMHSA-N -1 0 300.319 -0.298 20 0 DBADRM NC(=O)C1(O)CN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC001412398973 1001387185 /nfs/dbraw/zinc/38/71/85/1001387185.db2.gz BXVMKRSSPIZPFN-UHFFFAOYSA-N -1 0 320.280 -0.611 20 0 DBADRM CNC(=O)C[N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC001423604904 1001389985 /nfs/dbraw/zinc/38/99/85/1001389985.db2.gz PYXPGZHJJGOSLN-GOSISDBHSA-N -1 0 311.429 -0.003 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC001412407137 1001390160 /nfs/dbraw/zinc/39/01/60/1001390160.db2.gz LSCGFEFZUKXKLE-NSHDSACASA-N -1 0 322.369 -0.582 20 0 DBADRM O=C(Cc1nnc(C2CC2)[nH]1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001412424788 1001396965 /nfs/dbraw/zinc/39/69/65/1001396965.db2.gz AJCZRASWQKVZSL-QMMMGPOBSA-N -1 0 304.314 -0.662 20 0 DBADRM Cc1nc(SCCC(=O)N2CCOC[C@@H]2c2nnn[n-]2)n[nH]1 ZINC001412429067 1001399025 /nfs/dbraw/zinc/39/90/25/1001399025.db2.gz BUHJLDCEWFCDLC-MRVPVSSYSA-N -1 0 324.370 -0.291 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001412431112 1001399187 /nfs/dbraw/zinc/39/91/87/1001399187.db2.gz KQLGNYGVFSDFAY-BDAKNGLRSA-N -1 0 311.346 -0.673 20 0 DBADRM CN(C)C(=O)Cc1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001412429578 1001399365 /nfs/dbraw/zinc/39/93/65/1001399365.db2.gz LRWBLFNBCIIQFJ-UHFFFAOYSA-N -1 0 319.321 -0.041 20 0 DBADRM O=C([C@@H]1CCc2cncn2C1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001412430540 1001399720 /nfs/dbraw/zinc/39/97/20/1001399720.db2.gz JKYPFDIDHLZJBM-MWLCHTKSSA-N -1 0 303.326 -0.441 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001412434096 1001401414 /nfs/dbraw/zinc/40/14/14/1001401414.db2.gz TYQVSDCEFODSJV-GARJFASQSA-N -1 0 311.342 -0.459 20 0 DBADRM Cc1n[nH]c(=O)c(C[N-]S(=O)(=O)N=S(C)(C)=O)c1C ZINC001423714189 1001408066 /nfs/dbraw/zinc/40/80/66/1001408066.db2.gz FUGRFJBZEDXIHW-UHFFFAOYSA-N -1 0 308.385 -0.139 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1[O-] ZINC001412460981 1001412060 /nfs/dbraw/zinc/41/20/60/1001412060.db2.gz YIOUNVIJIXXIGB-QMMMGPOBSA-N -1 0 302.356 -0.422 20 0 DBADRM CC1(C)C[C@@H](O)CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001412462373 1001412841 /nfs/dbraw/zinc/41/28/41/1001412841.db2.gz RNSVRAKFSOPLLS-SECBINFHSA-N -1 0 305.338 -0.309 20 0 DBADRM CC1(C)C[C@H](O)CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001412462374 1001412850 /nfs/dbraw/zinc/41/28/50/1001412850.db2.gz RNSVRAKFSOPLLS-VIFPVBQESA-N -1 0 305.338 -0.309 20 0 DBADRM Cc1[nH]ccc1C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423765569 1001426685 /nfs/dbraw/zinc/42/66/85/1001426685.db2.gz OBHXWLBWDSVFKX-CQSZACIVSA-N -1 0 320.353 -0.486 20 0 DBADRM COCC(=O)N[C@@H](C)CCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001591366991 1016493333 /nfs/dbraw/zinc/49/33/33/1016493333.db2.gz YKLSCEFQQWRUOI-VIFPVBQESA-N -1 0 320.357 -0.578 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001412534822 1001440498 /nfs/dbraw/zinc/44/04/98/1001440498.db2.gz RRIYHOVQAOSMPM-SECBINFHSA-N -1 0 317.305 -0.786 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)NC1(c3nnn[n-]3)CCC1)CC2 ZINC001412545158 1001444672 /nfs/dbraw/zinc/44/46/72/1001444672.db2.gz SGGSJYDSDUSWTL-MRVPVSSYSA-N -1 0 302.342 -0.371 20 0 DBADRM CC(C)CNC(=O)NC(=O)[C@@H](C)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001591374186 1016496111 /nfs/dbraw/zinc/49/61/11/1016496111.db2.gz QQTMZRSKUTUBQD-RKDXNWHRSA-N -1 0 322.383 -0.008 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)OC ZINC001423839802 1001466491 /nfs/dbraw/zinc/46/64/91/1001466491.db2.gz ATVHRUSYURQCMD-MRVPVSSYSA-N -1 0 314.385 -0.729 20 0 DBADRM Cn1ccc(N2CCC[C@H](NC(=O)CCc3nnn[n-]3)C2=O)n1 ZINC001412586307 1001471516 /nfs/dbraw/zinc/47/15/16/1001471516.db2.gz BLQGCAKSSQLOEJ-VIFPVBQESA-N -1 0 318.341 -0.822 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)C[C@H]1CCO[C@H](C)C1)C(=O)OC ZINC001423843987 1001471713 /nfs/dbraw/zinc/47/17/13/1001471713.db2.gz KOMRZHYYOLBJID-VWYCJHECSA-N -1 0 309.384 -0.091 20 0 DBADRM COC[C@@](C)(O)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412586164 1001471738 /nfs/dbraw/zinc/47/17/38/1001471738.db2.gz CARPMXDEXMSNQA-ZDUSSCGKSA-N -1 0 306.326 -0.798 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ncc[n-]2)O1 ZINC001423847025 1001474706 /nfs/dbraw/zinc/47/47/06/1001474706.db2.gz GVWMPBFDRDAWMP-DTWKUNHWSA-N -1 0 302.356 -0.676 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001423848431 1001474954 /nfs/dbraw/zinc/47/49/54/1001474954.db2.gz IJRNZTINDZLWDK-QMMMGPOBSA-N -1 0 308.385 -0.888 20 0 DBADRM COC[C@@H](NC(=O)[C@H](C)NC(=O)c1cccs1)c1nnn[n-]1 ZINC001412597493 1001477904 /nfs/dbraw/zinc/47/79/04/1001477904.db2.gz RTEFLHSCFWAQQN-JGVFFNPUSA-N -1 0 324.366 -0.117 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(NC(C)=O)cn1)c1nnn[n-]1 ZINC001412609418 1001491917 /nfs/dbraw/zinc/49/19/17/1001491917.db2.gz OZKGXRWPYADQDP-SNVBAGLBSA-N -1 0 305.298 -0.329 20 0 DBADRM COC(=O)[C@H]1COCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001412617547 1001499385 /nfs/dbraw/zinc/49/93/85/1001499385.db2.gz JYMKKLWASBGHBR-SECBINFHSA-N -1 0 306.278 -0.963 20 0 DBADRM COCC1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCC1 ZINC001591387770 1016499765 /nfs/dbraw/zinc/49/97/65/1016499765.db2.gz CNRIOYPRKHDCQS-UHFFFAOYSA-N -1 0 306.330 -0.609 20 0 DBADRM COC[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@@H]1CCCOC1 ZINC001591383172 1016499793 /nfs/dbraw/zinc/49/97/93/1016499793.db2.gz XOGPHKOGWXZHNR-NXEZZACHSA-N -1 0 305.342 -0.068 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC001412621588 1001509682 /nfs/dbraw/zinc/50/96/82/1001509682.db2.gz PCZRYKVQPOPAMS-NSHDSACASA-N -1 0 306.351 -0.107 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001412626528 1001514121 /nfs/dbraw/zinc/51/41/21/1001514121.db2.gz YNGFMKXFAVPLAP-RNJXMRFFSA-N -1 0 309.326 -0.485 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H](CO)C[C@H]1CCCO1 ZINC001412630010 1001515479 /nfs/dbraw/zinc/51/54/79/1001515479.db2.gz SVPHIKUGLIDWLC-NXEZZACHSA-N -1 0 314.342 -0.484 20 0 DBADRM O=C(NCCn1cnnn1)c1nc[n-]c(=O)c1Br ZINC001412648494 1001520859 /nfs/dbraw/zinc/52/08/59/1001520859.db2.gz HOFBVKJNOOGZLR-UHFFFAOYSA-N -1 0 314.103 -0.639 20 0 DBADRM CCC(C)(CC)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423903238 1001521789 /nfs/dbraw/zinc/52/17/89/1001521789.db2.gz CQNARWGYHSLFET-UHFFFAOYSA-N -1 0 311.386 -0.001 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)N=S(C)(C)=O)CCSC1 ZINC001423902397 1001521993 /nfs/dbraw/zinc/52/19/93/1001521993.db2.gz MAXZHRXZGWFKNS-QMMMGPOBSA-N -1 0 316.426 -0.403 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(C)F ZINC001412650113 1001522031 /nfs/dbraw/zinc/52/20/31/1001522031.db2.gz ZOWDIHTZUXXDTQ-ZETCQYMHSA-N -1 0 317.321 -0.600 20 0 DBADRM COCC1(COC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001591389690 1016502803 /nfs/dbraw/zinc/50/28/03/1016502803.db2.gz SEVKHENIVDIBOR-MRVPVSSYSA-N -1 0 307.314 -0.011 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001424006134 1001544257 /nfs/dbraw/zinc/54/42/57/1001544257.db2.gz HKHVPBONLDFCPO-PKFCDNJMSA-N -1 0 309.370 -0.391 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC001412736316 1001547544 /nfs/dbraw/zinc/54/75/44/1001547544.db2.gz XHWUVASQYUJXER-SSDOTTSWSA-N -1 0 320.275 -0.198 20 0 DBADRM C[C@@H](CNC(=O)C(F)F)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001424028111 1001549150 /nfs/dbraw/zinc/54/91/50/1001549150.db2.gz IDSQXCXFYWXARY-LURJTMIESA-N -1 0 318.280 -0.672 20 0 DBADRM C[C@H](CNC(=O)C(F)F)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001424028113 1001550071 /nfs/dbraw/zinc/55/00/71/1001550071.db2.gz IDSQXCXFYWXARY-ZCFIWIBFSA-N -1 0 318.280 -0.672 20 0 DBADRM C[C@H](NS(=O)(=O)c1nncn1C)C1(S(C)(=O)=O)CC1 ZINC001424031681 1001551692 /nfs/dbraw/zinc/55/16/92/1001551692.db2.gz IRHOQRDKKAPEPE-ZETCQYMHSA-N -1 0 308.385 -0.941 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001424038749 1001552383 /nfs/dbraw/zinc/55/23/83/1001552383.db2.gz JGEZHBSCAMMZKZ-WDEREUQCSA-N -1 0 322.369 -0.788 20 0 DBADRM Cn1cc([C@]2(CNC(=O)c3n[nH]c(=O)[n-]c3=O)CCCO2)cn1 ZINC001412763535 1001565452 /nfs/dbraw/zinc/56/54/52/1001565452.db2.gz YGFCNDLCNQIAIX-CYBMUJFWSA-N -1 0 320.309 -0.548 20 0 DBADRM COCC1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001591394745 1016506468 /nfs/dbraw/zinc/50/64/68/1016506468.db2.gz ZJVKUSOLNWNAAI-UHFFFAOYSA-N -1 0 306.330 -0.657 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CC[C@H](O)[C@H](F)C1 ZINC001412774513 1001570956 /nfs/dbraw/zinc/57/09/56/1001570956.db2.gz ODUGDZRIDIMCAM-MNOVXSKESA-N -1 0 322.296 -0.189 20 0 DBADRM COC(=O)C1(NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC(CO)C1 ZINC001412790613 1001584124 /nfs/dbraw/zinc/58/41/24/1001584124.db2.gz IQVCNFLICPBOLM-UHFFFAOYSA-N -1 0 321.289 -0.028 20 0 DBADRM CCO[C@H]1COCC[C@@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412812642 1001599370 /nfs/dbraw/zinc/59/93/70/1001599370.db2.gz RZSNBONATAEZJJ-UWVGGRQHSA-N -1 0 314.342 -0.220 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001424224091 1001601494 /nfs/dbraw/zinc/60/14/94/1001601494.db2.gz FRBGIEPNPCTAEW-LURJTMIESA-N -1 0 321.341 -0.259 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001424224094 1001601683 /nfs/dbraw/zinc/60/16/83/1001601683.db2.gz FRBGIEPNPCTAEW-ZCFIWIBFSA-N -1 0 321.341 -0.259 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001591414654 1016509475 /nfs/dbraw/zinc/50/94/75/1016509475.db2.gz PRUNXESCZLBGDW-GFCCVEGCSA-N -1 0 307.368 -0.193 20 0 DBADRM CC[C@H]([N-]S(=O)(=O)c1occc1C(=O)OC)C(=O)NC ZINC001424236963 1001605037 /nfs/dbraw/zinc/60/50/37/1001605037.db2.gz HWDARAXSSUDPEW-QMMMGPOBSA-N -1 0 304.324 -0.131 20 0 DBADRM C[C@@H](O)c1ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)s1 ZINC001412822544 1001605177 /nfs/dbraw/zinc/60/51/77/1001605177.db2.gz DAGPZGWXJKBFCA-ZCFIWIBFSA-N -1 0 321.380 -0.608 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)[C@H]1CC12CC2 ZINC001424241612 1001606085 /nfs/dbraw/zinc/60/60/85/1001606085.db2.gz FZKAOGWBSPNWDH-DTWKUNHWSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1ncsc1CCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001412828418 1001607538 /nfs/dbraw/zinc/60/75/38/1001607538.db2.gz NWBPRDBAPADCBB-UHFFFAOYSA-N -1 0 319.408 -0.034 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccc(O)c(F)c1 ZINC001412832096 1001610164 /nfs/dbraw/zinc/61/01/64/1001610164.db2.gz UQZTWCNOLRUGQQ-UHFFFAOYSA-N -1 0 318.326 -0.344 20 0 DBADRM CCOC(=O)c1n[nH]c(CNC(=O)c2cc(=O)n(C)cn2)n1 ZINC001412835268 1001612366 /nfs/dbraw/zinc/61/23/66/1001612366.db2.gz DTYJUIMHYCFSAG-UHFFFAOYSA-N -1 0 306.282 -0.995 20 0 DBADRM C[C@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)CCN1CCO ZINC001412851095 1001619890 /nfs/dbraw/zinc/61/98/90/1001619890.db2.gz WKFPKTJTSCDLIU-JTQLQIEISA-N -1 0 305.338 -0.839 20 0 DBADRM NC(=O)c1cc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)co1 ZINC001412858267 1001623757 /nfs/dbraw/zinc/62/37/57/1001623757.db2.gz SHKGZXRONKASOV-ZETCQYMHSA-N -1 0 308.323 -0.178 20 0 DBADRM COCCC[C@@H](C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591407772 1016511098 /nfs/dbraw/zinc/51/10/98/1016511098.db2.gz OMCPIZLQSIRRCA-SECBINFHSA-N -1 0 308.346 -0.363 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCN(CCc2cnccn2)CC1 ZINC001412866882 1001628289 /nfs/dbraw/zinc/62/82/89/1001628289.db2.gz RRMIZOZWOZLOFC-UHFFFAOYSA-N -1 0 303.326 -0.699 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001591414655 1016511917 /nfs/dbraw/zinc/51/19/17/1016511917.db2.gz PRUNXESCZLBGDW-LBPRGKRZSA-N -1 0 307.368 -0.193 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@H](CO)[C@@H]1CCOC1 ZINC001412880602 1001633800 /nfs/dbraw/zinc/63/38/00/1001633800.db2.gz IUACVBBCYCOXLM-NXEZZACHSA-N -1 0 314.342 -0.769 20 0 DBADRM O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001412888379 1001636228 /nfs/dbraw/zinc/63/62/28/1001636228.db2.gz VQGMSQKJYBIPSO-BDAKNGLRSA-N -1 0 314.367 -0.349 20 0 DBADRM COCC[C@@H](CO)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412890176 1001636604 /nfs/dbraw/zinc/63/66/04/1001636604.db2.gz OPNHWXUGYFYJQP-JTQLQIEISA-N -1 0 306.326 -0.798 20 0 DBADRM O=C(c1cn(C2CC2)nn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412893908 1001638093 /nfs/dbraw/zinc/63/80/93/1001638093.db2.gz CPIUKCBZCITQLA-UHFFFAOYSA-N -1 0 304.314 -0.750 20 0 DBADRM Cc1noc(C2CN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001412918121 1001648583 /nfs/dbraw/zinc/64/85/83/1001648583.db2.gz RJZOQLPXNVEVBO-UHFFFAOYSA-N -1 0 308.298 -0.213 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001412939641 1001656570 /nfs/dbraw/zinc/65/65/70/1001656570.db2.gz IHBRZHBOWZHIEI-NXEZZACHSA-N -1 0 320.305 -0.030 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@@](O)(C(F)F)C1 ZINC001412985333 1001675001 /nfs/dbraw/zinc/67/50/01/1001675001.db2.gz WQGPZSLOZWFUAZ-NSHDSACASA-N -1 0 306.269 -0.302 20 0 DBADRM NC(=O)C1(O)CCN(Cc2nc3c(c(=O)[nH]2)COCC3)CC1 ZINC001412984226 1001675326 /nfs/dbraw/zinc/67/53/26/1001675326.db2.gz RIOXUFIRNHHITL-UHFFFAOYSA-N -1 0 308.338 -0.933 20 0 DBADRM CC(F)(F)C1(C(=O)NC[C@H](CO)NC(=O)c2cn[nH]n2)CC1 ZINC001412993103 1001677664 /nfs/dbraw/zinc/67/76/64/1001677664.db2.gz GTLTYIFEPNJNBE-SSDOTTSWSA-N -1 0 317.296 -0.553 20 0 DBADRM COCCC1(C)CN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001591400793 1016513100 /nfs/dbraw/zinc/51/31/00/1016513100.db2.gz VAJMHBIGXQHLNE-VIFPVBQESA-N -1 0 320.357 -0.096 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001591414340 1016513524 /nfs/dbraw/zinc/51/35/24/1016513524.db2.gz HKPJGELMZCTZPA-ZJUUUORDSA-N -1 0 307.368 -0.649 20 0 DBADRM COCC[C@@H](CO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591398673 1016513602 /nfs/dbraw/zinc/51/36/02/1016513602.db2.gz IHEXYXRNSCMTAQ-ZETCQYMHSA-N -1 0 317.327 -0.865 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001413139828 1001703199 /nfs/dbraw/zinc/70/31/99/1001703199.db2.gz PLIWORQOSVNHSG-SNVBAGLBSA-N -1 0 321.341 -0.075 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CNC(=O)COc1ccccc1 ZINC001413179933 1001708122 /nfs/dbraw/zinc/70/81/22/1001708122.db2.gz IMFMVWNQHJRNSF-UHFFFAOYSA-N -1 0 320.305 -0.484 20 0 DBADRM CC(C)C[C@@H]1C[C@H]1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001591444663 1016524915 /nfs/dbraw/zinc/52/49/15/1016524915.db2.gz MJYGUJGVDVRMPX-WISYIIOYSA-N -1 0 312.366 -0.169 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCC(O)(CO)CC2)cc1=O ZINC001413246962 1001773348 /nfs/dbraw/zinc/77/33/48/1001773348.db2.gz WCNCLOVWVNCJPQ-UHFFFAOYSA-N -1 0 311.382 -0.279 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNC(=O)C(C)(F)F)c1[O-] ZINC001413256945 1001783710 /nfs/dbraw/zinc/78/37/10/1001783710.db2.gz ZZXJGTDDHIVOMC-SSDOTTSWSA-N -1 0 320.296 -0.372 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCC(N)=O)oc1Cl ZINC001413273758 1001800173 /nfs/dbraw/zinc/80/01/73/1001800173.db2.gz CZSHZONNVHGFNG-UHFFFAOYSA-N -1 0 310.715 -0.127 20 0 DBADRM COC(=O)C1(S(=O)(=O)N[C@@H]2CCCCNC2=O)CCC1 ZINC001413278184 1001801219 /nfs/dbraw/zinc/80/12/19/1001801219.db2.gz PWHWFXBHGBOZRJ-SECBINFHSA-N -1 0 304.368 -0.330 20 0 DBADRM CN1Cc2ccccc2[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1=O ZINC001413292339 1001804331 /nfs/dbraw/zinc/80/43/31/1001804331.db2.gz GXTHHSRRZAJLFR-SECBINFHSA-N -1 0 315.289 -0.274 20 0 DBADRM Cc1conc1CN[C@@H](C)[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001424838282 1001805156 /nfs/dbraw/zinc/80/51/56/1001805156.db2.gz OSPPOORTYUFFDQ-DTWKUNHWSA-N -1 0 324.341 -0.331 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001413294857 1001805185 /nfs/dbraw/zinc/80/51/85/1001805185.db2.gz LFIFPABQUNDRCL-KOLCDFICSA-N -1 0 319.310 -0.172 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCc1nnn[n-]1 ZINC001413292782 1001805811 /nfs/dbraw/zinc/80/58/11/1001805811.db2.gz JLEZQJUWOJGHEA-RKDXNWHRSA-N -1 0 316.387 -0.891 20 0 DBADRM C[C@]([N-]S(=O)(=O)N=S(C)(C)=O)(C(N)=O)c1ccccc1 ZINC001413306636 1001808530 /nfs/dbraw/zinc/80/85/30/1001808530.db2.gz LTADIZNJSGFLNC-LLVKDONJSA-N -1 0 319.408 -0.051 20 0 DBADRM O=S(=O)([N-]Cc1nc(C(F)(F)F)no1)[C@@H]1COC[C@H]1O ZINC001413319700 1001813276 /nfs/dbraw/zinc/81/32/76/1001813276.db2.gz SEOKJQQMDZWBFY-RFZPGFLSSA-N -1 0 317.245 -0.733 20 0 DBADRM Cc1nc([C@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)no1 ZINC001413320288 1001813305 /nfs/dbraw/zinc/81/33/05/1001813305.db2.gz KCDOSRUQCGDVGB-QQOXFEPMSA-N -1 0 311.389 -0.152 20 0 DBADRM Cc1nocc1CN(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001424971166 1001819773 /nfs/dbraw/zinc/81/97/73/1001819773.db2.gz ISDKJSIKIDFNCF-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM CC(C)C(=O)N(C)C[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001425000421 1001824766 /nfs/dbraw/zinc/82/47/66/1001824766.db2.gz UPUZWYKIGHURRX-SECBINFHSA-N -1 0 310.354 -0.281 20 0 DBADRM NS(=O)(=O)NC1CN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC001413365336 1001828004 /nfs/dbraw/zinc/82/80/04/1001828004.db2.gz GAGJJMODQYQYEC-UHFFFAOYSA-N -1 0 307.278 -0.712 20 0 DBADRM CCn1cc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001425040205 1001831613 /nfs/dbraw/zinc/83/16/13/1001831613.db2.gz NPPQILHTASPNOO-MRVPVSSYSA-N -1 0 308.346 -0.628 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)C2=COCCO2)c1[O-] ZINC001425040053 1001832105 /nfs/dbraw/zinc/83/21/05/1001832105.db2.gz VXOVNDNBPBTQNQ-MRVPVSSYSA-N -1 0 324.337 -0.111 20 0 DBADRM C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001413385652 1001834075 /nfs/dbraw/zinc/83/40/75/1001834075.db2.gz IOBXKGAVPRVLKM-GXSJLCMTSA-N -1 0 304.310 -0.038 20 0 DBADRM COCc1nn(C)cc1C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001413390554 1001835447 /nfs/dbraw/zinc/83/54/47/1001835447.db2.gz XVTRQAQJJUVAEU-JTQLQIEISA-N -1 0 307.314 -0.707 20 0 DBADRM COc1c(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001425054567 1001836023 /nfs/dbraw/zinc/83/60/23/1001836023.db2.gz WWFLJBZUBPMNCV-MRVPVSSYSA-N -1 0 323.357 -0.497 20 0 DBADRM COCc1cncc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)c1 ZINC001413390699 1001836138 /nfs/dbraw/zinc/83/61/38/1001836138.db2.gz ZADXAQOLNNSATP-NSHDSACASA-N -1 0 304.310 -0.045 20 0 DBADRM COC(=O)C1=NO[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1 ZINC001413417823 1001841976 /nfs/dbraw/zinc/84/19/76/1001841976.db2.gz LCSPXJQWRXWLAC-NSHDSACASA-N -1 0 314.323 -0.508 20 0 DBADRM C[C@H](CNC(=O)c1ccc(=O)[nH]c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001425084894 1001843311 /nfs/dbraw/zinc/84/33/11/1001843311.db2.gz XSDZTHPPUFJXCI-MRVPVSSYSA-N -1 0 306.326 -0.139 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)CN2CCCC2=O)c1[O-] ZINC001433386594 1001844561 /nfs/dbraw/zinc/84/45/61/1001844561.db2.gz CIUIOHRLUBYBOQ-MRVPVSSYSA-N -1 0 323.353 -0.719 20 0 DBADRM C[C@H](O)C1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001413432039 1001848318 /nfs/dbraw/zinc/84/83/18/1001848318.db2.gz ZHLOFQKHMRMAGO-VIFPVBQESA-N -1 0 305.338 -0.309 20 0 DBADRM C[C@@](O)(CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1CC1 ZINC001433423609 1001850874 /nfs/dbraw/zinc/85/08/74/1001850874.db2.gz WWTVBEYXFISQHW-CQSZACIVSA-N -1 0 309.370 -0.294 20 0 DBADRM O=C(CCN1CCOC1=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001413453821 1001850926 /nfs/dbraw/zinc/85/09/26/1001850926.db2.gz LHIYTXYANLZUFL-UHFFFAOYSA-N -1 0 322.321 -0.287 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001413453596 1001851298 /nfs/dbraw/zinc/85/12/98/1001851298.db2.gz KKEBUNZFDLTRQT-VIFPVBQESA-N -1 0 320.349 -0.070 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001413453583 1001851847 /nfs/dbraw/zinc/85/18/47/1001851847.db2.gz KKEBUNZFDLTRQT-SECBINFHSA-N -1 0 320.349 -0.070 20 0 DBADRM C[C@]1(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCNC(=O)C1 ZINC001433438425 1001854270 /nfs/dbraw/zinc/85/42/70/1001854270.db2.gz ZOROOZLPWNXXJI-AWEZNQCLSA-N -1 0 322.369 -0.929 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)nn1 ZINC001413469455 1001856169 /nfs/dbraw/zinc/85/61/69/1001856169.db2.gz OMDDOBGTNYETMT-RKDXNWHRSA-N -1 0 306.330 -0.808 20 0 DBADRM COC(=O)C[C@@H](C)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001413467804 1001856258 /nfs/dbraw/zinc/85/62/58/1001856258.db2.gz XLPPOZRNRHJQBV-MRVPVSSYSA-N -1 0 320.305 -0.052 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)c1n[n-]c2ccccc2c1=O ZINC001413521625 1001869891 /nfs/dbraw/zinc/86/98/91/1001869891.db2.gz WEEWGXCROWPMIE-UHFFFAOYSA-N -1 0 310.335 -0.304 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)C[C@@H]1CCC(=O)N1)C(=O)[O-] ZINC001591457241 1016532272 /nfs/dbraw/zinc/53/22/72/1016532272.db2.gz CLXZOPUDGWDBLG-UWVGGRQHSA-N -1 0 313.354 -0.613 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)C[C@H](C)NC(N)=O)C(=O)[O-] ZINC001591457523 1016532682 /nfs/dbraw/zinc/53/26/82/1016532682.db2.gz LIKCXCALYYRJFK-IUCAKERBSA-N -1 0 316.358 -0.835 20 0 DBADRM COCc1noc(Cn2nc(C)c(C)c(-c3nnn[n-]3)c2=O)n1 ZINC001591461583 1016532814 /nfs/dbraw/zinc/53/28/14/1016532814.db2.gz DDSRDJCXGJYPST-UHFFFAOYSA-N -1 0 318.297 -0.382 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2ncccn2)c1[O-] ZINC001433528233 1001875615 /nfs/dbraw/zinc/87/56/15/1001875615.db2.gz XVZBWAXWRJIAPS-ZETCQYMHSA-N -1 0 304.310 -0.238 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001413557745 1001879755 /nfs/dbraw/zinc/87/97/55/1001879755.db2.gz VEILTSCEDRTIQJ-HTQZYQBOSA-N -1 0 314.346 -0.083 20 0 DBADRM CO[C@H](C)C(=O)NC[C@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001433545986 1001881336 /nfs/dbraw/zinc/88/13/36/1001881336.db2.gz XJINQQTYQLNILF-DTWKUNHWSA-N -1 0 321.337 -0.708 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC001413566679 1001881393 /nfs/dbraw/zinc/88/13/93/1001881393.db2.gz KLLAROYCVXINAQ-ONGXEEELSA-N -1 0 317.353 -0.106 20 0 DBADRM CO[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591467250 1016534747 /nfs/dbraw/zinc/53/47/47/1016534747.db2.gz DXYWWVMRTOSOJG-IWSPIJDZSA-N -1 0 306.330 -0.297 20 0 DBADRM CON(C)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591466008 1016534785 /nfs/dbraw/zinc/53/47/85/1016534785.db2.gz QPLYDQIEMNUMIZ-UHFFFAOYSA-N -1 0 302.316 -0.769 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC(=O)NC[C@H]1c1ccccc1 ZINC001413632697 1001895267 /nfs/dbraw/zinc/89/52/67/1001895267.db2.gz UVJGACXRNQZWMC-VIFPVBQESA-N -1 0 315.289 -0.404 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001591467601 1016536255 /nfs/dbraw/zinc/53/62/55/1016536255.db2.gz RQNLKPUKUYXLMP-QMMMGPOBSA-N -1 0 319.325 -0.096 20 0 DBADRM CO[C@H]1C[C@H](CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001591474922 1016541108 /nfs/dbraw/zinc/54/11/08/1016541108.db2.gz QFLRUURLSIPAKD-IWSPIJDZSA-N -1 0 306.330 -0.440 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591465838 1016537609 /nfs/dbraw/zinc/53/76/09/1016537609.db2.gz ILQORADPYZMCDU-ZETCQYMHSA-N -1 0 320.309 -0.290 20 0 DBADRM COc1c(-c2nnn[n-]2)ccc(=O)n1Cc1nnnn1C1CC1 ZINC001591474841 1016540735 /nfs/dbraw/zinc/54/07/35/1016540735.db2.gz LIOCYPOCSHSPPV-UHFFFAOYSA-N -1 0 315.297 -0.593 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC001433661502 1001930675 /nfs/dbraw/zinc/93/06/75/1001930675.db2.gz OPCYFWLFVJDJHA-ZDUSSCGKSA-N -1 0 300.322 -0.168 20 0 DBADRM NC(=O)NC[C@@H]1CCCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001433662943 1001935090 /nfs/dbraw/zinc/93/50/90/1001935090.db2.gz UQIGMEGSZQIXPB-ZETCQYMHSA-N -1 0 314.371 -0.348 20 0 DBADRM CC(C)N(C)C(=O)CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001591550199 1016548776 /nfs/dbraw/zinc/54/87/76/1016548776.db2.gz DIEOFHRBYSSWQD-NWDGAFQWSA-N -1 0 311.382 -0.282 20 0 DBADRM CC(C)N(C)C(=O)[C@H](C)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001591543064 1016549401 /nfs/dbraw/zinc/54/94/01/1016549401.db2.gz XQBKEFSTCLCRLT-QWRGUYRKSA-N -1 0 320.411 -0.185 20 0 DBADRM CC(C)N(C)C(=O)[C@H](C)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001591543066 1016549770 /nfs/dbraw/zinc/54/97/70/1016549770.db2.gz XQBKEFSTCLCRLT-WDEREUQCSA-N -1 0 320.411 -0.185 20 0 DBADRM CC(C)N(CC(=O)[O-])CC(=O)N1CCN(c2cnccn2)CC1 ZINC001591569531 1016549784 /nfs/dbraw/zinc/54/97/84/1016549784.db2.gz FZTMQSMNMCXMNQ-UHFFFAOYSA-N -1 0 321.381 -0.080 20 0 DBADRM COc1c(-c2nnn[n-]2)ccc(=O)n1CC(=O)NCC1CCC1 ZINC001591474347 1016541816 /nfs/dbraw/zinc/54/18/16/1016541816.db2.gz ZFIACPYWELBEPA-UHFFFAOYSA-N -1 0 318.337 -0.047 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001591605455 1016552180 /nfs/dbraw/zinc/55/21/80/1016552180.db2.gz OOWSCHHAWGFNBM-UWVGGRQHSA-N -1 0 311.338 -0.860 20 0 DBADRM O=C(CCc1nnn[n-]1)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001413743154 1001983281 /nfs/dbraw/zinc/98/32/81/1001983281.db2.gz BECDTMRGSXUODF-OKILXGFUSA-N -1 0 309.370 -0.494 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC(=O)c1cncs1 ZINC001413741787 1001984704 /nfs/dbraw/zinc/98/47/04/1001984704.db2.gz UKPHETKJCCEJPS-UHFFFAOYSA-N -1 0 318.318 -0.473 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001413748818 1001986404 /nfs/dbraw/zinc/98/64/04/1001986404.db2.gz UEDYYZACLIASTK-GASCZTMLSA-N -1 0 323.397 -0.104 20 0 DBADRM COc1cnc([C@H]2CCCN2C(=O)CCn2cnnn2)[nH]c1=O ZINC001413769535 1001998491 /nfs/dbraw/zinc/99/84/91/1001998491.db2.gz RJAMSSFTUHRNCP-SECBINFHSA-N -1 0 319.325 -0.069 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@@]2(C)CCCS2(=O)=O)n[nH]1 ZINC001433726598 1001999252 /nfs/dbraw/zinc/99/92/52/1001999252.db2.gz DZZVYLVYOQGSCY-LLVKDONJSA-N -1 0 316.339 -0.574 20 0 DBADRM CC1(C(=O)NC[C@H]2CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001433732920 1002003072 /nfs/dbraw/zinc/00/30/72/1002003072.db2.gz GGPRLAITYIBYSB-MRVPVSSYSA-N -1 0 309.326 -0.794 20 0 DBADRM COc1ccc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)cn1 ZINC001591604789 1016553267 /nfs/dbraw/zinc/55/32/67/1016553267.db2.gz GSFQLRCSUDJEPE-UHFFFAOYSA-N -1 0 301.266 -0.419 20 0 DBADRM COc1ccc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC001591593979 1016553620 /nfs/dbraw/zinc/55/36/20/1016553620.db2.gz OWRPXPNRBCHOSD-UHFFFAOYSA-N -1 0 314.309 -0.217 20 0 DBADRM O=C(N[C@H]1c2ccccc2OC[C@H]1CO)c1n[nH]c(=O)[n-]c1=O ZINC001413778887 1002007090 /nfs/dbraw/zinc/00/70/90/1002007090.db2.gz YBSNXGQXZQWTSQ-GMSGAONNSA-N -1 0 318.289 -0.245 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)NCCn2cc(C(=O)[O-])nn2)C1=O ZINC001591616483 1016553795 /nfs/dbraw/zinc/55/37/95/1016553795.db2.gz FXMQDGFMXDBWMS-VIFPVBQESA-N -1 0 324.341 -0.715 20 0 DBADRM CCN(C(=O)c1nc[nH]n1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001413791215 1002011983 /nfs/dbraw/zinc/01/19/83/1002011983.db2.gz DGEGDIBTKNPMDC-SSDOTTSWSA-N -1 0 321.341 -0.178 20 0 DBADRM COc1ccc(Cn2nc(C)c(C)c(-c3nnn[n-]3)c2=O)nn1 ZINC001591605277 1016554765 /nfs/dbraw/zinc/55/47/65/1016554765.db2.gz AGHLJLAZYZSZJA-UHFFFAOYSA-N -1 0 314.309 -0.113 20 0 DBADRM CC(C)N(CCN(C)c1ccnc(C(=O)[O-])n1)C(=O)CC(N)=O ZINC001591593536 1016555087 /nfs/dbraw/zinc/55/50/87/1016555087.db2.gz HHTDVLHNLFEHSA-UHFFFAOYSA-N -1 0 323.353 -0.277 20 0 DBADRM CC(C)N(CCC(=O)[O-])S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001591589575 1016555143 /nfs/dbraw/zinc/55/51/43/1016555143.db2.gz RIAFKYHFJWJCAK-SFHVURJKSA-N -1 0 315.417 -0.009 20 0 DBADRM C[C@@H]1CCCN(C(=O)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001413812494 1002023850 /nfs/dbraw/zinc/02/38/50/1002023850.db2.gz KRFQUUYCHNPPAN-MRVPVSSYSA-N -1 0 309.326 -0.339 20 0 DBADRM CC(C)NC(=O)CN(C)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001591641392 1016556978 /nfs/dbraw/zinc/55/69/78/1016556978.db2.gz YMTVPJKJDLSWLS-UHFFFAOYSA-N -1 0 315.351 -0.075 20 0 DBADRM CC(C)NC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001591644769 1016557070 /nfs/dbraw/zinc/55/70/70/1016557070.db2.gz GUJPQLMDXXPGSC-NEPJUHHUSA-N -1 0 311.382 -0.234 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001591641323 1016557899 /nfs/dbraw/zinc/55/78/99/1016557899.db2.gz UVIKWBAEGZQCLC-KWQFWETISA-N -1 0 321.324 -0.475 20 0 DBADRM CC(C)NC(=O)CCCC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001591640404 1016558225 /nfs/dbraw/zinc/55/82/25/1016558225.db2.gz VOCAHWUJXYKTMK-WDEREUQCSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(Cc2oncc2C(=O)[O-])CC1 ZINC001591635023 1016558274 /nfs/dbraw/zinc/55/82/74/1016558274.db2.gz JMAXWZDECXVOEZ-UHFFFAOYSA-N -1 0 324.337 -0.458 20 0 DBADRM CC(C)NC(=O)CCCC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001591640417 1016558382 /nfs/dbraw/zinc/55/83/82/1016558382.db2.gz WYVLBPSRLDUGKO-JTQLQIEISA-N -1 0 313.354 -0.565 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001413847464 1002038743 /nfs/dbraw/zinc/03/87/43/1002038743.db2.gz KNDKMHMIQFDXRF-UHFFFAOYSA-N -1 0 316.387 -0.951 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001433805294 1002039154 /nfs/dbraw/zinc/03/91/54/1002039154.db2.gz GFHNFLRFZCAQBL-SNVBAGLBSA-N -1 0 322.321 -0.327 20 0 DBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001591647522 1016559018 /nfs/dbraw/zinc/55/90/18/1016559018.db2.gz RVFVCTOTDLIRII-HZMBPMFUSA-N -1 0 313.354 -0.383 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001591661450 1016559040 /nfs/dbraw/zinc/55/90/40/1016559040.db2.gz NNIURWLLZREGBC-BDAKNGLRSA-N -1 0 308.356 -0.937 20 0 DBADRM COc1ccnc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c1 ZINC001591655362 1016559444 /nfs/dbraw/zinc/55/94/44/1016559444.db2.gz XATCLMLUGUYUGU-UHFFFAOYSA-N -1 0 315.297 -0.708 20 0 DBADRM COC(=O)c1c(OCCO)n[nH]c1NC(=O)c1ccnnc1C ZINC001413867336 1002049367 /nfs/dbraw/zinc/04/93/67/1002049367.db2.gz PRSWDDQTRXIDMS-UHFFFAOYSA-N -1 0 321.293 -0.082 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001433828000 1002054910 /nfs/dbraw/zinc/05/49/10/1002054910.db2.gz FCLLAADFEQFSHE-JGVFFNPUSA-N -1 0 309.326 -0.890 20 0 DBADRM CCC(CC)(CNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)OC ZINC001433831206 1002056966 /nfs/dbraw/zinc/05/69/66/1002056966.db2.gz FPXMKWUXEQDFSH-UHFFFAOYSA-N -1 0 300.315 -0.215 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCC1(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001433830123 1002057066 /nfs/dbraw/zinc/05/70/66/1002057066.db2.gz MHDLLESPDPVRLR-DTWKUNHWSA-N -1 0 320.349 -0.480 20 0 DBADRM CC(C)NS(=O)(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001591666473 1016564694 /nfs/dbraw/zinc/56/46/94/1016564694.db2.gz GIDMUVWCSUEVMG-UHFFFAOYSA-N -1 0 317.371 -0.144 20 0 DBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC[C@H](F)C(=O)[O-])c1 ZINC001591667057 1016564932 /nfs/dbraw/zinc/56/49/32/1016564932.db2.gz ZMXYXRXRZCOQFJ-QMMMGPOBSA-N -1 0 321.330 -0.146 20 0 DBADRM COC(=O)CCN1CCN(C(=O)CCc2nnn[n-]2)[C@@H](C)C1 ZINC001433861315 1002079369 /nfs/dbraw/zinc/07/93/69/1002079369.db2.gz ZINOJDYXCRBZOC-JTQLQIEISA-N -1 0 310.358 -0.772 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3ncc[nH]3)CC2)c1[O-] ZINC001433869925 1002082854 /nfs/dbraw/zinc/08/28/54/1002082854.db2.gz NJUDBZJBOAMKSI-UHFFFAOYSA-N -1 0 304.310 -0.161 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)c1ncc(Br)cc1[O-] ZINC001433876339 1002088710 /nfs/dbraw/zinc/08/87/10/1002088710.db2.gz RNGGMCCMEWUCSS-ZETCQYMHSA-N -1 0 319.111 -0.187 20 0 DBADRM CNC(=O)C1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001414007960 1002125139 /nfs/dbraw/zinc/12/51/39/1002125139.db2.gz UUGXVSQQPFLKDC-UHFFFAOYSA-N -1 0 318.337 -0.944 20 0 DBADRM O=C(CCCF)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001433944750 1002128378 /nfs/dbraw/zinc/12/83/78/1002128378.db2.gz CQTBCUZPRHQNOE-UHFFFAOYSA-N -1 0 313.289 -0.589 20 0 DBADRM CS[C@@H](C)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591688983 1016572715 /nfs/dbraw/zinc/57/27/15/1016572715.db2.gz HGNWKUNUEWFEFP-ZETCQYMHSA-N -1 0 311.375 -0.491 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001433951877 1002131616 /nfs/dbraw/zinc/13/16/16/1002131616.db2.gz GEHDTHJXFPSUCW-AWEZNQCLSA-N -1 0 303.322 -0.379 20 0 DBADRM O=C(C[C@@H]1NC(=O)c2ccccc21)NCCc1nc(=O)o[n-]1 ZINC001433960346 1002135188 /nfs/dbraw/zinc/13/51/88/1002135188.db2.gz HKWQIKJXEQSIAW-JTQLQIEISA-N -1 0 302.290 -0.104 20 0 DBADRM O=C(CCc1nnn[n-]1)NCCn1cc(Br)cn1 ZINC001433970118 1002140967 /nfs/dbraw/zinc/14/09/67/1002140967.db2.gz NSKWIMZMORHIFM-UHFFFAOYSA-N -1 0 314.147 -0.092 20 0 DBADRM CCC(CC)(NC(=O)CCNS(C)(=O)=O)c1nnn[n-]1 ZINC001433970925 1002142107 /nfs/dbraw/zinc/14/21/07/1002142107.db2.gz YUNCOVFGYRRAPU-UHFFFAOYSA-N -1 0 304.376 -0.730 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001433986405 1002150393 /nfs/dbraw/zinc/15/03/93/1002150393.db2.gz PCMGMTBQQCZDMT-RKDXNWHRSA-N -1 0 300.315 -0.610 20 0 DBADRM Cn1nccc1[C@@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCO1 ZINC001433993943 1002154908 /nfs/dbraw/zinc/15/49/08/1002154908.db2.gz PVAUDJVZILKKQM-SCZZXKLOSA-N -1 0 322.325 -0.541 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001591705153 1016577928 /nfs/dbraw/zinc/57/79/28/1016577928.db2.gz PDBSHHBLAHIACQ-NXEZZACHSA-N -1 0 322.383 -0.643 20 0 DBADRM CC(C)OCC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001591704815 1016577955 /nfs/dbraw/zinc/57/79/55/1016577955.db2.gz NFUYNROIPARMQU-NXEZZACHSA-N -1 0 324.337 -0.735 20 0 DBADRM CC(C)OCC(=O)NC[C@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001591704345 1016578533 /nfs/dbraw/zinc/57/85/33/1016578533.db2.gz GTHNZKPSGXHVMX-JTQLQIEISA-N -1 0 312.326 -0.511 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001591705443 1016578885 /nfs/dbraw/zinc/57/88/85/1016578885.db2.gz QILMRZCWTKOIRU-ZJUUUORDSA-N -1 0 307.368 -0.100 20 0 DBADRM CC(C)OCCNC(=O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001591724933 1016579744 /nfs/dbraw/zinc/57/97/44/1016579744.db2.gz OGDVVGJYQQQBID-JTQLQIEISA-N -1 0 318.395 -0.196 20 0 DBADRM C[C@@H](O)CCNS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001591731435 1016580132 /nfs/dbraw/zinc/58/01/32/1016580132.db2.gz HEGRGOYJGPUOMW-ZCFIWIBFSA-N -1 0 303.369 -0.023 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)c2nc3n(n2)CCCN3)[n-]1 ZINC001434052395 1002198716 /nfs/dbraw/zinc/19/87/16/1002198716.db2.gz WSAKZCIBYDXNQZ-UHFFFAOYSA-N -1 0 305.298 -0.497 20 0 DBADRM C[C@@H]1[C@H](O)CCCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591758093 1016585662 /nfs/dbraw/zinc/58/56/62/1016585662.db2.gz MJAZIJZNILXFHO-RKDXNWHRSA-N -1 0 324.366 -0.204 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001591726523 1016584428 /nfs/dbraw/zinc/58/44/28/1016584428.db2.gz BRERKNFLKDJZNK-NXEZZACHSA-N -1 0 322.383 -0.832 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001591774167 1016586927 /nfs/dbraw/zinc/58/69/27/1016586927.db2.gz QEPYGVMGPMDHAS-BDAKNGLRSA-N -1 0 306.330 -0.516 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CCC2CCC2)c(=O)n1CCO ZINC001591793582 1016590717 /nfs/dbraw/zinc/59/07/17/1016590717.db2.gz CNAAVJDRFRPRDY-UHFFFAOYSA-N -1 0 320.353 -0.319 20 0 DBADRM Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)[N-]S(=O)(=O)C(F)F ZINC001591784394 1016591796 /nfs/dbraw/zinc/59/17/96/1016591796.db2.gz LIRYTUDLHFPQSM-UHFFFAOYSA-N -1 0 306.254 -0.215 20 0 DBADRM CC(C)Oc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cn1 ZINC001591791136 1016591891 /nfs/dbraw/zinc/59/18/91/1016591891.db2.gz LHRACRLKTVIKHG-KCJUWKMLSA-N -1 0 318.351 -0.019 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc([O-])cc(F)c1)C(=O)OC ZINC001414229398 1002265912 /nfs/dbraw/zinc/26/59/12/1002265912.db2.gz MLRHZDDKVMHXRG-SNVBAGLBSA-N -1 0 307.299 -0.002 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-][C@@](C)(COC)C(=O)OC)OC ZINC001414234206 1002270111 /nfs/dbraw/zinc/27/01/11/1002270111.db2.gz VHTBWHWHEDHZON-KOLCDFICSA-N -1 0 313.372 -0.855 20 0 DBADRM Cn1ccnc1[C@H](NC(=O)CCc1nnn[n-]1)C(C)(C)CO ZINC001434120686 1002274764 /nfs/dbraw/zinc/27/47/64/1002274764.db2.gz BRECSBHGRYIWPC-NSHDSACASA-N -1 0 307.358 -0.258 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(Cc2cccc(F)n2)c(=O)n1C ZINC001591794878 1016596299 /nfs/dbraw/zinc/59/62/99/1016596299.db2.gz GYVZGBRAAXFGSA-UHFFFAOYSA-N -1 0 317.284 -0.382 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001591820563 1016596391 /nfs/dbraw/zinc/59/63/91/1016596391.db2.gz LEGWEQBRDCTKDW-LBPRGKRZSA-N -1 0 318.351 -0.358 20 0 DBADRM CC(C)S(=O)(=O)CCNC(=O)c1cc(C(=O)[O-])nn1C ZINC001591818810 1016597481 /nfs/dbraw/zinc/59/74/81/1016597481.db2.gz OXUPPDUOQYVINX-UHFFFAOYSA-N -1 0 303.340 -0.329 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CCCCCO)c(=O)n1C1CC1 ZINC001591793904 1016597640 /nfs/dbraw/zinc/59/76/40/1016597640.db2.gz NXDYLEALXWEFAO-UHFFFAOYSA-N -1 0 320.353 -0.004 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC(=O)C2CC2)c(=O)n1C1CC1 ZINC001591794890 1016598435 /nfs/dbraw/zinc/59/84/35/1016598435.db2.gz RHYPYSCICJBYNY-UHFFFAOYSA-N -1 0 316.321 -0.187 20 0 DBADRM CC(C)[C@@H](NC(=O)CCC(=O)N1CCC(O)CC1)C(=O)[O-] ZINC001591833559 1016598675 /nfs/dbraw/zinc/59/86/75/1016598675.db2.gz LCVUIIYRGLKBAQ-CYBMUJFWSA-N -1 0 300.355 -0.025 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H]1CC[C@H](C(N)=O)C1 ZINC001414277850 1002303355 /nfs/dbraw/zinc/30/33/55/1002303355.db2.gz MFPCWRHHCJPZGE-JGVFFNPUSA-N -1 0 316.335 -0.002 20 0 DBADRM CC[C@@](COC)([N-]S(=O)(=O)Cc1noc(C)n1)C(=O)OC ZINC001414281520 1002304618 /nfs/dbraw/zinc/30/46/18/1002304618.db2.gz OZWZPRGCTOFZLB-NSHDSACASA-N -1 0 321.355 -0.234 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCc1nccn1C ZINC001591835269 1016600090 /nfs/dbraw/zinc/60/00/90/1016600090.db2.gz AXKMWXORETVKPG-UHFFFAOYSA-N -1 0 314.309 -0.061 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H]1COCO1 ZINC001414284309 1002307605 /nfs/dbraw/zinc/30/76/05/1002307605.db2.gz SPLFJLNYYVZJPR-LURJTMIESA-N -1 0 308.337 -0.419 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)C(N)=O ZINC001591844928 1016600975 /nfs/dbraw/zinc/60/09/75/1016600975.db2.gz ZAIBNJICSUPKSP-SECBINFHSA-N -1 0 303.340 -0.489 20 0 DBADRM CC1(C)CNC(=O)[C@@H]1NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001434202862 1002316608 /nfs/dbraw/zinc/31/66/08/1002316608.db2.gz DJGNUCJLRZMJFS-JTQLQIEISA-N -1 0 315.337 -0.671 20 0 DBADRM CSCC[C@H](NC(=O)CN(C)S(C)(=O)=O)c1nnn[n-]1 ZINC001434201912 1002316950 /nfs/dbraw/zinc/31/69/50/1002316950.db2.gz QZXORGFWGHKCRY-ZETCQYMHSA-N -1 0 322.416 -0.999 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCc2ccc[nH]c2=O)n[nH]1 ZINC001414310671 1002317428 /nfs/dbraw/zinc/31/74/28/1002317428.db2.gz IPWLINZGJZTQPV-UHFFFAOYSA-N -1 0 312.307 -0.225 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCN(C(C)=O)C2)n[nH]1 ZINC001414309576 1002318283 /nfs/dbraw/zinc/31/82/83/1002318283.db2.gz NTUVYHOFNIGJMX-MRVPVSSYSA-N -1 0 316.339 -0.905 20 0 DBADRM O=S(=O)(N[C@@H]1COC[C@@H]1O)c1c[nH]nc1C(F)(F)F ZINC001414318572 1002323963 /nfs/dbraw/zinc/32/39/63/1002323963.db2.gz SYWPTNKQHJGTKJ-UHNVWZDZSA-N -1 0 301.246 -0.534 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN(C)C(=O)C(C)(F)F)c1[O-] ZINC001425721821 1002324966 /nfs/dbraw/zinc/32/49/66/1002324966.db2.gz GXMWOPGTJVZFCI-ZETCQYMHSA-N -1 0 320.296 -0.372 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC001434213947 1002325317 /nfs/dbraw/zinc/32/53/17/1002325317.db2.gz OJSWKOSIOSLLJW-YUMQZZPRSA-N -1 0 312.288 -0.497 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCc2c(=O)[nH]n(C)c2C1)C(=O)[O-] ZINC001591869716 1016603691 /nfs/dbraw/zinc/60/36/91/1016603691.db2.gz AVDOQYZEXRZDFD-LBPRGKRZSA-N -1 0 310.354 -0.291 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCCS(=O)(=O)C[C@H]1C)C(=O)[O-] ZINC001591868336 1016604431 /nfs/dbraw/zinc/60/44/31/1016604431.db2.gz WIPFYZZOSZQKKD-PWSUYJOCSA-N -1 0 320.411 -0.279 20 0 DBADRM CC(C)[C@H](NC(=O)CN1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)C(=O)[O-] ZINC001591870041 1016605059 /nfs/dbraw/zinc/60/50/59/1016605059.db2.gz GMCOWOAOQAAQEV-UMNHJUIQSA-N -1 0 318.395 -0.812 20 0 DBADRM CCCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC001414357515 1002345209 /nfs/dbraw/zinc/34/52/09/1002345209.db2.gz PVGOQRNSAMBDFJ-ZJUUUORDSA-N -1 0 310.354 -0.085 20 0 DBADRM O=C(CCC(F)(F)F)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001425736104 1002349910 /nfs/dbraw/zinc/34/99/10/1002349910.db2.gz QJNQPEKWHPSXEU-LURJTMIESA-N -1 0 311.264 -0.581 20 0 DBADRM O=C(c1cc2c(cc1O)OCO2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001434275373 1002352351 /nfs/dbraw/zinc/35/23/51/1002352351.db2.gz NNQWPJXTZZYFHK-QMMMGPOBSA-N -1 0 319.277 -0.152 20 0 DBADRM O=C([C@H]1CCCCS1(=O)=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001434278574 1002355923 /nfs/dbraw/zinc/35/59/23/1002355923.db2.gz WHHNGKYEYKNQEE-RKDXNWHRSA-N -1 0 315.355 -0.933 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001434302237 1002365609 /nfs/dbraw/zinc/36/56/09/1002365609.db2.gz SGXLCGCHFAJWCG-KCJUWKMLSA-N -1 0 322.369 -0.819 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(Cn2ccnn2)CC1 ZINC001425747117 1002370736 /nfs/dbraw/zinc/37/07/36/1002370736.db2.gz BNJSBLRKOAYBIM-UHFFFAOYSA-N -1 0 305.346 -0.350 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@H](CC(N)=O)C2)c1 ZINC001591888792 1016611265 /nfs/dbraw/zinc/61/12/65/1016611265.db2.gz OJSYVURRWDPECJ-VIFPVBQESA-N -1 0 303.326 -0.349 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001434314172 1002373103 /nfs/dbraw/zinc/37/31/03/1002373103.db2.gz FOGIQRURVDKFHO-SNVBAGLBSA-N -1 0 305.342 -0.055 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@H](CC(N)=O)C2)n1 ZINC001591889041 1016611530 /nfs/dbraw/zinc/61/15/30/1016611530.db2.gz WHNSESKWYKLXTG-MRVPVSSYSA-N -1 0 304.314 -0.954 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N1CC[N@H+](CCC(=O)[O-])[C@@H](C)C1 ZINC001591894242 1016612533 /nfs/dbraw/zinc/61/25/33/1016612533.db2.gz DVAIYURVXXTLQT-JQWIXIFHSA-N -1 0 314.386 -0.313 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@@H](C)N1CCN(C)CC1 ZINC001434328047 1002386335 /nfs/dbraw/zinc/38/63/35/1002386335.db2.gz RHUOSTILPRZLQX-GFCCVEGCSA-N -1 0 309.418 -0.180 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001434328214 1002387054 /nfs/dbraw/zinc/38/70/54/1002387054.db2.gz RZLTYYKFGDOYNI-SECBINFHSA-N -1 0 301.372 -0.381 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCc2[nH]cnc2C12CCC2 ZINC001434344715 1002401019 /nfs/dbraw/zinc/40/10/19/1002401019.db2.gz YARDFJMHNKMYEZ-UHFFFAOYSA-N -1 0 304.310 -0.124 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCn1ccc(C(F)(F)F)n1 ZINC001434349435 1002405819 /nfs/dbraw/zinc/40/58/19/1002405819.db2.gz SOKUIGNJHLOJAR-UHFFFAOYSA-N -1 0 320.231 -0.279 20 0 DBADRM CC(C)[C@H](O)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001591907333 1016616928 /nfs/dbraw/zinc/61/69/28/1016616928.db2.gz MSAGICUWVGQRIN-SMDDNHRTSA-N -1 0 300.355 -0.609 20 0 DBADRM CN1CC(N2CCN(C(=O)c3c[n-]n4c3nccc4=O)CC2)C1 ZINC001434357883 1002411338 /nfs/dbraw/zinc/41/13/38/1002411338.db2.gz SJOPNWBCPMJRLT-UHFFFAOYSA-N -1 0 316.365 -0.906 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)c1nnn[n-]1 ZINC001434365088 1002418924 /nfs/dbraw/zinc/41/89/24/1002418924.db2.gz WKIBVYFCOIMAAR-DTWKUNHWSA-N -1 0 310.358 -0.350 20 0 DBADRM Cc1cc(C(=O)NCc2nc(=O)o[n-]2)ncc1-c1nn[nH]n1 ZINC001591929315 1016618358 /nfs/dbraw/zinc/61/83/58/1016618358.db2.gz WLEANMQJBBIXMT-UHFFFAOYSA-N -1 0 302.254 -0.824 20 0 DBADRM COC(=O)[C@@H]1CSCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001434369582 1002422039 /nfs/dbraw/zinc/42/20/39/1002422039.db2.gz OYCRVVVBYHLCBV-YFKPBYRVSA-N -1 0 300.296 -0.987 20 0 DBADRM C[C@@]1([C@H]2CCCN(C(=O)CCc3nnn[n-]3)C2)COC(=O)N1 ZINC001434372073 1002426218 /nfs/dbraw/zinc/42/62/18/1002426218.db2.gz ZXBWRIBPCFFYTQ-ZANVPECISA-N -1 0 308.342 -0.131 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N[C@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC001434377409 1002430199 /nfs/dbraw/zinc/43/01/99/1002430199.db2.gz DLEMFQYIANKLOS-IEVPQTOXSA-N -1 0 313.375 -0.197 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N[C@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC001434377406 1002431715 /nfs/dbraw/zinc/43/17/15/1002431715.db2.gz DLEMFQYIANKLOS-AFPAUOELSA-N -1 0 313.375 -0.197 20 0 DBADRM COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001434402657 1002451889 /nfs/dbraw/zinc/45/18/89/1002451889.db2.gz NBHRDCGLLPXBBX-CWKFCGSDSA-N -1 0 308.294 -0.400 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N[C@H](C)c1nn(C)cc1[O-] ZINC001434405890 1002454412 /nfs/dbraw/zinc/45/44/12/1002454412.db2.gz CRVMVNURSFJSDP-SNVBAGLBSA-N -1 0 311.386 -0.241 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)CCCc1nnn[n-]1 ZINC001434418806 1002461631 /nfs/dbraw/zinc/46/16/31/1002461631.db2.gz XBCFBFNXFRURHY-JTQLQIEISA-N -1 0 307.358 -0.277 20 0 DBADRM CN1CC[C@H](NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC001414618410 1002462074 /nfs/dbraw/zinc/46/20/74/1002462074.db2.gz NZZDYPIPBXTUPT-BDAKNGLRSA-N -1 0 308.342 -0.370 20 0 DBADRM CC(C)c1nnc(CN2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]1 ZINC001592019421 1016624512 /nfs/dbraw/zinc/62/45/12/1016624512.db2.gz DOSQPFORUCBAGC-ZJUUUORDSA-N -1 0 307.354 -0.051 20 0 DBADRM CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001425818492 1002476197 /nfs/dbraw/zinc/47/61/97/1002476197.db2.gz USEALZVAOGLUHZ-OUAUKWLOSA-N -1 0 311.386 -0.241 20 0 DBADRM CC(C)c1nnnn1CC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001592091352 1016626985 /nfs/dbraw/zinc/62/69/85/1016626985.db2.gz LBAAZAMJJOVAGF-UHFFFAOYSA-N -1 0 311.342 -0.206 20 0 DBADRM C[C@H]1C[C@@H](NS(=O)(=O)c2ncc[n-]2)C(=O)N1c1cnn(C)c1 ZINC001434555875 1002521746 /nfs/dbraw/zinc/52/17/46/1002521746.db2.gz BYHGJAVJLXYQAO-WCBMZHEXSA-N -1 0 324.366 -0.385 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CCn1ncnn1 ZINC001434556941 1002524795 /nfs/dbraw/zinc/52/47/95/1002524795.db2.gz LYJGLURGLMJRKS-SFHVURJKSA-N -1 0 310.405 -0.596 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](CO)CCOC ZINC001434561705 1002526486 /nfs/dbraw/zinc/52/64/86/1002526486.db2.gz AXTRCYHVFAVWHH-SECBINFHSA-N -1 0 302.418 -0.274 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC001592194175 1016634100 /nfs/dbraw/zinc/63/41/00/1016634100.db2.gz TUYRLVWVFCLUMB-HWKXXFMVSA-N -1 0 306.322 -0.082 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)CC1(C)CCOCC1 ZINC001434564431 1002530656 /nfs/dbraw/zinc/53/06/56/1002530656.db2.gz GIQMJZBAKQXPRN-SNVBAGLBSA-N -1 0 309.384 -0.354 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)CNS(=O)(=O)c1cccnc1 ZINC001592203418 1016635193 /nfs/dbraw/zinc/63/51/93/1016635193.db2.gz ZNZFIQICRJBJTH-XNPJLODASA-N -1 0 313.335 -0.495 20 0 DBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001592178639 1016635260 /nfs/dbraw/zinc/63/52/60/1016635260.db2.gz QRURXKZBQPOQHN-QTZUAFFRSA-N -1 0 306.384 -0.223 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H](CF)C(=O)OC ZINC001434572089 1002537619 /nfs/dbraw/zinc/53/76/19/1002537619.db2.gz LQZFYLDOQASZTO-ZETCQYMHSA-N -1 0 309.271 -0.144 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@](C)(CO)C(=O)OC ZINC001434576949 1002539129 /nfs/dbraw/zinc/53/91/29/1002539129.db2.gz UFFSHGSPTKETPN-LLVKDONJSA-N -1 0 311.356 -0.971 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)CSCC(=O)N1CCOCC1 ZINC001592199563 1016635712 /nfs/dbraw/zinc/63/57/12/1016635712.db2.gz BQJRQMAGWKTNSK-VMZHVLLKSA-N -1 0 316.379 -0.276 20 0 DBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001592178464 1016635830 /nfs/dbraw/zinc/63/58/30/1016635830.db2.gz MOFVDCKSEMOZIF-WCBMZHEXSA-N -1 0 322.383 -0.233 20 0 DBADRM COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)C[C@H]1CC2(CCC2)CO1 ZINC001434576094 1002541206 /nfs/dbraw/zinc/54/12/06/1002541206.db2.gz AOLPERHWGAJNPX-ZYHUDNBSSA-N -1 0 321.395 -0.211 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC001592189728 1016636315 /nfs/dbraw/zinc/63/63/15/1016636315.db2.gz BNSKLYBCGGTFTK-CDAZIORVSA-N -1 0 304.368 -0.197 20 0 DBADRM C[C@]12CN(S(=O)(=O)c3ncc[n-]3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001434608412 1002551230 /nfs/dbraw/zinc/55/12/30/1002551230.db2.gz ATKWVNNVUIQPIY-PHIMTYICSA-N -1 0 319.408 -0.145 20 0 DBADRM C[C@@H](CC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-])NC(N)=O ZINC001592243307 1016637642 /nfs/dbraw/zinc/63/76/42/1016637642.db2.gz VAIDULXLNQWTCK-YUMQZZPRSA-N -1 0 303.315 -0.844 20 0 DBADRM C[C@H](CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])c1cnn(C)c1 ZINC001592237309 1016637714 /nfs/dbraw/zinc/63/77/14/1016637714.db2.gz XKKYPYJBGPAMCV-KOLCDFICSA-N -1 0 308.338 -0.285 20 0 DBADRM CCOC(=O)[C@@H]1CN(S(=O)(=O)c2ncc[n-]2)CC12COC2 ZINC001434614293 1002555211 /nfs/dbraw/zinc/55/52/11/1002555211.db2.gz XXFODUXGMFDBES-VIFPVBQESA-N -1 0 315.351 -0.390 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1nc2ncc(CCO)cn2n1 ZINC001592218682 1016638883 /nfs/dbraw/zinc/63/88/83/1016638883.db2.gz QIPHRIBGOJPUPP-UFUPEUMYSA-N -1 0 305.294 -0.582 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC001592220700 1016639314 /nfs/dbraw/zinc/63/93/14/1016639314.db2.gz ZUQXINWYSKDWRY-TYWZFMJISA-N -1 0 303.278 -0.413 20 0 DBADRM Cc1ccn(CN(C)[C@H]2CCN(C)C2=O)c(=O)c1-c1nnn[n-]1 ZINC001592265629 1016639872 /nfs/dbraw/zinc/63/98/72/1016639872.db2.gz DIGGAZZGVIHJRN-JTQLQIEISA-N -1 0 317.353 -0.543 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1nc2ncc(CCO)cn2n1 ZINC001592218684 1016639889 /nfs/dbraw/zinc/63/98/89/1016639889.db2.gz QIPHRIBGOJPUPP-YAJNLLPGSA-N -1 0 305.294 -0.582 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)CN1CC(=O)NC1=O)c1ccccn1 ZINC001592282652 1016641350 /nfs/dbraw/zinc/64/13/50/1016641350.db2.gz MPOSMINAFGJGLJ-CQSZACIVSA-N -1 0 320.305 -0.561 20 0 DBADRM CC1(C(=O)NC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C2CC2)CC1 ZINC001414866371 1002576785 /nfs/dbraw/zinc/57/67/85/1002576785.db2.gz RQTAFVPDRCYTAJ-SECBINFHSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)CN1CCOCC1=O)c1cccnc1 ZINC001592282891 1016641623 /nfs/dbraw/zinc/64/16/23/1016641623.db2.gz RBORZVRAMLVNDC-HNNXBMFYSA-N -1 0 321.333 -0.254 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC001434729281 1002580189 /nfs/dbraw/zinc/58/01/89/1002580189.db2.gz BNZRBZDOWUIPFG-QMMMGPOBSA-N -1 0 316.387 -0.456 20 0 DBADRM Cc1ccn(CC(=O)c2cnnn2C)c(=O)c1-c1nnn[n-]1 ZINC001592266820 1016642182 /nfs/dbraw/zinc/64/21/82/1016642182.db2.gz YDKORRQUSZESDB-UHFFFAOYSA-N -1 0 300.282 -0.652 20 0 DBADRM Cc1ccn(CN2CC(=O)N[C@@H](C)C2)c(=O)c1-c1nnn[n-]1 ZINC001592268208 1016642740 /nfs/dbraw/zinc/64/27/40/1016642740.db2.gz YZUWLKAPYBOWMF-VIFPVBQESA-N -1 0 303.326 -0.885 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)CCNC(=O)CO)c1ccncc1 ZINC001592282668 1016643359 /nfs/dbraw/zinc/64/33/59/1016643359.db2.gz NBOVHOFZFFHHRV-CQSZACIVSA-N -1 0 309.322 -0.614 20 0 DBADRM Cc1[nH]nc([N-]S(=O)(=O)c2ccnn2C)c1-c1nn[nH]n1 ZINC001592331765 1016644815 /nfs/dbraw/zinc/64/48/15/1016644815.db2.gz MMENKLIXWWLKHK-UHFFFAOYSA-N -1 0 309.315 -0.567 20 0 DBADRM Cc1n[nH]cc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592331791 1016646411 /nfs/dbraw/zinc/64/64/11/1016646411.db2.gz VLYZGRAWWIWREY-UHFFFAOYSA-N -1 0 309.311 -0.030 20 0 DBADRM CCNC(=O)CCCC(=O)N[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001414976442 1002616700 /nfs/dbraw/zinc/61/67/00/1002616700.db2.gz WMKDKNBXXAMAJJ-MGCOHNPYSA-N -1 0 322.369 -0.512 20 0 DBADRM Cc1nc(-c2nnn[n-]2)c(NNC(=S)NC[C@H]2CCOC2)o1 ZINC001592338788 1016647836 /nfs/dbraw/zinc/64/78/36/1016647836.db2.gz NOALRJKCJBMLPQ-SSDOTTSWSA-N -1 0 324.370 -0.009 20 0 DBADRM O=C(N[C@H]1CCN(c2cc(=O)[nH]cn2)C1)N[C@@H]1CCOC[C@H]1O ZINC001434840974 1002643873 /nfs/dbraw/zinc/64/38/73/1002643873.db2.gz IXANOVVBLDPTKL-HBNTYKKESA-N -1 0 323.353 -0.790 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001415061582 1002647417 /nfs/dbraw/zinc/64/74/17/1002647417.db2.gz JMSYLWAOMVBBLQ-AXTSPUMRSA-N -1 0 308.338 -0.355 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC001592375989 1016653544 /nfs/dbraw/zinc/65/35/44/1016653544.db2.gz ZIVWGQNWAHJGCQ-NSHDSACASA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)O[C@@H](C)C(=O)NCCN1CCOCC1 ZINC001592366914 1016653580 /nfs/dbraw/zinc/65/35/80/1016653580.db2.gz FIUDKTOOPPXVCV-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM Cn1[nH]c(CN2CCN(C(=O)[C@H]3CCCOC3)CC2)nc1=O ZINC001415108912 1002671934 /nfs/dbraw/zinc/67/19/34/1002671934.db2.gz SNTIZNRNWMDDMQ-NSHDSACASA-N -1 0 309.370 -0.821 20 0 DBADRM Cc1nc([C@@H](C)NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)no1 ZINC001592354914 1016655761 /nfs/dbraw/zinc/65/57/61/1016655761.db2.gz VCXJJKSVIABIKV-RITPCOANSA-N -1 0 318.301 -0.412 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)C[C@H](C)CC(=O)[O-] ZINC001592387931 1016658923 /nfs/dbraw/zinc/65/89/23/1016658923.db2.gz IBLXVDGUCBZYCN-VIFPVBQESA-N -1 0 309.388 -0.564 20 0 DBADRM COCCN(CCNC(=O)c1ccn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001426165609 1002711967 /nfs/dbraw/zinc/71/19/67/1002711967.db2.gz QJTAVNUXNHARTH-UHFFFAOYSA-N -1 0 323.357 -0.878 20 0 DBADRM CCn1cnc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001597917035 1017214745 /nfs/dbraw/zinc/21/47/45/1017214745.db2.gz SQVRIMVXKCBFKC-VHSXEESVSA-N -1 0 306.322 -0.436 20 0 DBADRM C[C@H](CC(=O)[O-])S(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1 ZINC001592420848 1016666151 /nfs/dbraw/zinc/66/61/51/1016666151.db2.gz ITPGPNDIZXYNMK-KOLCDFICSA-N -1 0 319.379 -0.098 20 0 DBADRM CCCC(=O)NC1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001426311796 1002754966 /nfs/dbraw/zinc/75/49/66/1002754966.db2.gz BLLJQZSAYKATRV-UHFFFAOYSA-N -1 0 309.326 -0.293 20 0 DBADRM Cc1nn(CC(=O)c2cnccn2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592436688 1016668521 /nfs/dbraw/zinc/66/85/21/1016668521.db2.gz ZNYPHVDHYUXBMO-UHFFFAOYSA-N -1 0 312.293 -0.287 20 0 DBADRM Cc1nn(C[C@@H]2CCS(=O)(=O)C2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592436107 1016669120 /nfs/dbraw/zinc/66/91/20/1016669120.db2.gz IAIHQJWOPDDEPM-VIFPVBQESA-N -1 0 324.366 -0.525 20 0 DBADRM Cc1nn(C[C@@H]2CCc3ncnn32)c(=O)c(-c2nnn[n-]2)c1C ZINC001592436477 1016670044 /nfs/dbraw/zinc/67/00/44/1016670044.db2.gz RVDWTCQIRGOPNN-VIFPVBQESA-N -1 0 313.325 -0.181 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001592451514 1016670295 /nfs/dbraw/zinc/67/02/95/1016670295.db2.gz DWBHNLCSTLMWMU-PSASIEDQSA-N -1 0 321.337 -0.619 20 0 DBADRM Cc1nocc1CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001592465199 1016672134 /nfs/dbraw/zinc/67/21/34/1016672134.db2.gz JABXBUXVVZRVGP-ZETCQYMHSA-N -1 0 303.286 -0.368 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H](C)CC(N)=O ZINC001592453710 1016673793 /nfs/dbraw/zinc/67/37/93/1016673793.db2.gz XOUWINCPNCOTBT-YUMQZZPRSA-N -1 0 309.326 -0.397 20 0 DBADRM Cc1noc([C@H](C)NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001592457077 1016675281 /nfs/dbraw/zinc/67/52/81/1016675281.db2.gz UHDKGXPICPAKAQ-WDSKDSINSA-N -1 0 318.301 -0.412 20 0 DBADRM C[C@@H](NC(=O)C1(C)CC1)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001426469083 1002806247 /nfs/dbraw/zinc/80/62/47/1002806247.db2.gz HFFGJRFNHYYRFK-NKWVEPMBSA-N -1 0 309.326 -0.294 20 0 DBADRM C[C@@H](NC(=O)c1ccc(=O)[nH]c1)[C@H](C)NC(=O)c1cn[nH]n1 ZINC001426491790 1002809268 /nfs/dbraw/zinc/80/92/68/1002809268.db2.gz VTXYJQAXHZSLCI-SFYZADRCSA-N -1 0 304.310 -0.158 20 0 DBADRM C[C@H](CCCNc1ccnc(C(=O)[O-])n1)NC(=O)c1cn[nH]n1 ZINC001592487562 1016677000 /nfs/dbraw/zinc/67/70/00/1016677000.db2.gz ORRIVMRRSMVFNH-MRVPVSSYSA-N -1 0 319.325 -0.275 20 0 DBADRM C[C@](CCF)(NC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC001592498111 1016677324 /nfs/dbraw/zinc/67/73/24/1016677324.db2.gz SZCSZGRPYCVEGF-LLVKDONJSA-N -1 0 319.314 -0.338 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H]1CCC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001592520359 1016684516 /nfs/dbraw/zinc/68/45/16/1016684516.db2.gz HQPVXKXPBSBLPT-WPRPVWTQSA-N -1 0 321.337 -0.240 20 0 DBADRM C[C@](CCF)(NC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001592496312 1016679192 /nfs/dbraw/zinc/67/91/92/1016679192.db2.gz SDNCYZSNIYZNRT-LLVKDONJSA-N -1 0 310.347 -0.964 20 0 DBADRM C[C@](CCF)(NC(=O)CCC(=O)N1CCOCC1)C(=O)[O-] ZINC001592496593 1016679508 /nfs/dbraw/zinc/67/95/08/1016679508.db2.gz WKMAMCHXWDNHGE-CYBMUJFWSA-N -1 0 304.318 -0.056 20 0 DBADRM C[C@](CCF)(NCC(=O)NCC(=O)N1CCCC1)C(=O)[O-] ZINC001592497725 1016679515 /nfs/dbraw/zinc/67/95/15/1016679515.db2.gz NNPAOJVJPYFFHX-CYBMUJFWSA-N -1 0 303.334 -0.483 20 0 DBADRM C[C@H](CCNC(=O)[C@H](C)CC(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592512630 1016682006 /nfs/dbraw/zinc/68/20/06/1016682006.db2.gz AJDGCUXHEJMHCH-RKDXNWHRSA-N -1 0 323.353 -0.007 20 0 DBADRM C[C@H](CCNC(=O)Cn1cncn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592513128 1016682023 /nfs/dbraw/zinc/68/20/23/1016682023.db2.gz MSBPJJYRGLDMJC-SECBINFHSA-N -1 0 319.325 -0.805 20 0 DBADRM C[C@@H](CNC(=O)C1=CCCC1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001426628205 1002845818 /nfs/dbraw/zinc/84/58/18/1002845818.db2.gz VEFYSGQRQFLZHV-VIFPVBQESA-N -1 0 323.353 -0.237 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)CCc2cn[nH]c2)c1[O-] ZINC001415472143 1002849980 /nfs/dbraw/zinc/84/99/80/1002849980.db2.gz ISWCKHUGBHMXAT-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM C[C@H](CCNC(=O)Cn1ccnc1)Nc1ccnc(C(=O)[O-])n1 ZINC001592513703 1016682984 /nfs/dbraw/zinc/68/29/84/1016682984.db2.gz RHEWHAXHHTXPAY-SNVBAGLBSA-N -1 0 318.337 -0.200 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@H](C)n2cncn2)c1[O-] ZINC001415482949 1002856278 /nfs/dbraw/zinc/85/62/78/1002856278.db2.gz WQMGJFCRJYLYJQ-VIFPVBQESA-N -1 0 321.341 -0.535 20 0 DBADRM C[C@@H](CCNC(=O)c1cn(C)cn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592520896 1016684282 /nfs/dbraw/zinc/68/42/82/1016684282.db2.gz QTEMSCWJMLJMBV-VIFPVBQESA-N -1 0 318.337 -0.049 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)Cc1ncc[nH]1 ZINC001592530097 1016685873 /nfs/dbraw/zinc/68/58/73/1016685873.db2.gz FCOPBWNHPQUYON-VIFPVBQESA-N -1 0 318.337 -0.131 20 0 DBADRM CCCC(=O)N(C)C[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001426720930 1002876088 /nfs/dbraw/zinc/87/60/88/1002876088.db2.gz WXUUEXUCPSKIDT-VIFPVBQESA-N -1 0 311.342 -0.451 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2CC(C)(C)CO2)c1=O ZINC001592558018 1016695780 /nfs/dbraw/zinc/69/57/80/1016695780.db2.gz KJJLPEDAHAFDMF-QMMMGPOBSA-N -1 0 306.326 -0.458 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H](CO)C2CCC2)c(-c2nnn[n-]2)c1=O ZINC001592544629 1016687823 /nfs/dbraw/zinc/68/78/23/1016687823.db2.gz UVSMMLHRBIVDHK-SSDOTTSWSA-N -1 0 307.314 -0.761 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)c1ccn(C)n1 ZINC001592531187 1016688019 /nfs/dbraw/zinc/68/80/19/1016688019.db2.gz UPPIROFLCWHLRL-VIFPVBQESA-N -1 0 318.337 -0.049 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1CCNC1=O ZINC001592531267 1016688208 /nfs/dbraw/zinc/68/82/08/1016688208.db2.gz WQJPBEZGHPGJCX-IUCAKERBSA-N -1 0 321.337 -0.961 20 0 DBADRM Cn1c(=O)[nH]c(N[C@]23C[C@H]2COC3(C)C)c(-c2nnn[n-]2)c1=O ZINC001592545543 1016688612 /nfs/dbraw/zinc/68/86/12/1016688612.db2.gz CXKLNLZWORXEKD-DAZKTRTLSA-N -1 0 319.325 -0.355 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H](C)CC(N)=O ZINC001592531042 1016688646 /nfs/dbraw/zinc/68/86/46/1016688646.db2.gz QPJHMNDXTKQEIW-IUCAKERBSA-N -1 0 323.353 -0.585 20 0 DBADRM Cn1c(=O)[nH]c(NOC[C@@H]2CCOC2)c(-c2nnn[n-]2)c1=O ZINC001592545121 1016689061 /nfs/dbraw/zinc/68/90/61/1016689061.db2.gz MKRQAAJQVCMDTK-ZCFIWIBFSA-N -1 0 309.286 -0.954 20 0 DBADRM C[C@H](CC[S@](C)=O)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001592537365 1016689615 /nfs/dbraw/zinc/68/96/15/1016689615.db2.gz KGTABNDVJJVEDF-ULQSSITMSA-N -1 0 318.395 -0.417 20 0 DBADRM CNC(=O)CN(C)[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001437329439 1002932561 /nfs/dbraw/zinc/93/25/61/1002932561.db2.gz HKRJQRWLJDXTNM-JTQLQIEISA-N -1 0 309.370 -0.294 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001437338929 1002935753 /nfs/dbraw/zinc/93/57/53/1002935753.db2.gz XETSCMIRDHNASP-SNVBAGLBSA-N -1 0 310.358 -0.931 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2cccc(F)n2)c1=O ZINC001592557942 1016696516 /nfs/dbraw/zinc/69/65/16/1016696516.db2.gz IJLISHBDXUIOAY-UHFFFAOYSA-N -1 0 303.257 -0.691 20 0 DBADRM CCN(CCNC(=O)C1=CCCC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415659594 1002938953 /nfs/dbraw/zinc/93/89/53/1002938953.db2.gz ZJXXIHIQVVXBOW-UHFFFAOYSA-N -1 0 321.337 -0.029 20 0 DBADRM C[C@H](CN(C)C(=O)[C@]12C[C@H]1COC2)Nc1ccnc(C(=O)[O-])n1 ZINC001592574476 1016705135 /nfs/dbraw/zinc/70/51/35/1016705135.db2.gz UJBMWJQOJPQHDS-FTGAXOIBSA-N -1 0 320.349 -0.108 20 0 DBADRM O=C(NC[C@@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C(F)F ZINC001415736584 1002991489 /nfs/dbraw/zinc/99/14/89/1002991489.db2.gz XIBMOENDQYZSRN-YFKPBYRVSA-N -1 0 317.252 -0.731 20 0 DBADRM CC(C)C(=O)NC[C@@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415744443 1002995084 /nfs/dbraw/zinc/99/50/84/1002995084.db2.gz PFFAKEHSTKHOCM-QMMMGPOBSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1C[C@H](O)CN1c1ccncn1)C(=O)[O-] ZINC001592570097 1016706273 /nfs/dbraw/zinc/70/62/73/1016706273.db2.gz ZRSKXYAPYQPXSM-OUAUKWLOSA-N -1 0 308.338 -0.405 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001592569109 1016707648 /nfs/dbraw/zinc/70/76/48/1016707648.db2.gz BZNNVSOYNVNGBL-UWVGGRQHSA-N -1 0 308.338 -0.108 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001592568155 1016707710 /nfs/dbraw/zinc/70/77/10/1016707710.db2.gz LIAOVYPLOQUDAD-IONNQARKSA-N -1 0 322.325 -0.885 20 0 DBADRM Cn1nc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)cc1Cl ZINC001592594825 1016713993 /nfs/dbraw/zinc/71/39/93/1016713993.db2.gz GSDGEZWEMGUJQP-UHFFFAOYSA-N -1 0 308.689 -0.436 20 0 DBADRM CN(CCNC(=O)c1n[n-]c2ccccc2c1=O)CC(N)=O ZINC001437519679 1003049674 /nfs/dbraw/zinc/04/96/74/1003049674.db2.gz BATYMLACFKIFSP-UHFFFAOYSA-N -1 0 303.322 -0.518 20 0 DBADRM CC(C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001427196398 1003050722 /nfs/dbraw/zinc/05/07/22/1003050722.db2.gz UFSHHHKMMDKJHA-OWUUHHOZSA-N -1 0 323.353 -0.834 20 0 DBADRM Cn1[n-]c(C(=O)NCc2ccc(-c3nn[nH]n3)cn2)cc1=O ZINC001592593185 1016715390 /nfs/dbraw/zinc/71/53/90/1016715390.db2.gz LTQSFODEBGBTKZ-UHFFFAOYSA-N -1 0 300.282 -0.369 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)C2CCC2)C1 ZINC001415969773 1003057407 /nfs/dbraw/zinc/05/74/07/1003057407.db2.gz PIDRWMDUNNPHJO-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CC(C)(C)C(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001427287743 1003070866 /nfs/dbraw/zinc/07/08/66/1003070866.db2.gz VHZWDZMOGMCESD-ZKCHVHJHSA-N -1 0 323.353 -0.047 20 0 DBADRM CCN(CCNC(=O)CO[C@H]1CCOC1)Cc1n[nH]c(=O)[n-]1 ZINC001437599068 1003085936 /nfs/dbraw/zinc/08/59/36/1003085936.db2.gz LFVYXLOSZYXCJT-JTQLQIEISA-N -1 0 313.358 -0.746 20 0 DBADRM CC1(C(=O)N2CC(NC(=O)CCCn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001416016061 1003093508 /nfs/dbraw/zinc/09/35/08/1003093508.db2.gz VARYZHMFLMDVOR-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM Cn1nncc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592611216 1016725595 /nfs/dbraw/zinc/72/55/95/1016725595.db2.gz FWDIVEKMLVMDPR-UHFFFAOYSA-N -1 0 310.299 -0.933 20 0 DBADRM C[C@H]1Oc2ccccc2N(CC(=O)N(C)c2nnn[n-]2)C1=O ZINC001437665819 1003127316 /nfs/dbraw/zinc/12/73/16/1003127316.db2.gz MGKQNRVEXOJITR-MRVPVSSYSA-N -1 0 302.294 -0.023 20 0 DBADRM C[C@H](CN1CCOCC1)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001592623430 1016729743 /nfs/dbraw/zinc/72/97/43/1016729743.db2.gz INFQTIUDJRDWFV-NEPJUHHUSA-N -1 0 320.411 -0.719 20 0 DBADRM C[C@H](CN1CCCC1=O)n1nnnc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001592617548 1016730151 /nfs/dbraw/zinc/73/01/51/1016730151.db2.gz WXQVTFTWAGDGSX-SVDPJWKOSA-N -1 0 320.353 -0.377 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCCN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001495828516 1016738562 /nfs/dbraw/zinc/73/85/62/1016738562.db2.gz LBGAQOHJYXENHM-DTWKUNHWSA-N -1 0 323.353 -0.554 20 0 DBADRM C[C@H](CNC(=O)Cc1nc[nH]n1)CNc1ccnc(C(=O)[O-])n1 ZINC001592655552 1016738805 /nfs/dbraw/zinc/73/88/05/1016738805.db2.gz SGVNXNBBFPYBMN-QMMMGPOBSA-N -1 0 319.325 -0.878 20 0 DBADRM C[C@H](CN1CCCC1=O)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001592616839 1016731118 /nfs/dbraw/zinc/73/11/18/1016731118.db2.gz BMHORDOAZGYLDZ-SNVBAGLBSA-N -1 0 321.333 -0.326 20 0 DBADRM C[C@@H](CN1CCCC1=O)n1nnnc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001592617549 1016732497 /nfs/dbraw/zinc/73/24/97/1016732497.db2.gz WXQVTFTWAGDGSX-UXCLJVHYSA-N -1 0 320.353 -0.377 20 0 DBADRM C[C@H](CNC(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])CC(F)F ZINC001592629465 1016733972 /nfs/dbraw/zinc/73/39/72/1016733972.db2.gz JYWUWYIBDYXUEJ-QXFUBDJGSA-N -1 0 322.308 0.000 20 0 DBADRM C[C@H](C(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1)n1cncn1 ZINC001592636568 1016734214 /nfs/dbraw/zinc/73/42/14/1016734214.db2.gz ZOLIVEWHXVRYQX-DTWKUNHWSA-N -1 0 319.325 -0.634 20 0 DBADRM C[C@H](CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1ncon1 ZINC001592650307 1016734575 /nfs/dbraw/zinc/73/45/75/1016734575.db2.gz BVFKKNPDDHDYRD-BDAKNGLRSA-N -1 0 310.310 -0.388 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)Nc1ncc(C(=O)[O-])cn1 ZINC001592648115 1016734955 /nfs/dbraw/zinc/73/49/55/1016734955.db2.gz YXLJKZLXIKFKCT-RKDXNWHRSA-N -1 0 321.337 -0.430 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592647258 1016734971 /nfs/dbraw/zinc/73/49/71/1016734971.db2.gz CGQFGSOVDZSWPA-WCBMZHEXSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1COC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001592647984 1016735230 /nfs/dbraw/zinc/73/52/30/1016735230.db2.gz SYCDILBLKOJAGO-POYBYMJQSA-N -1 0 309.282 -0.800 20 0 DBADRM C[C@H](CNC(=O)Cc1nc[nH]n1)Nc1ncc(C(=O)[O-])cn1 ZINC001592654869 1016735841 /nfs/dbraw/zinc/73/58/41/1016735841.db2.gz MJBMNBDZRFGNQX-SSDOTTSWSA-N -1 0 305.298 -0.548 20 0 DBADRM CCCC(=O)NC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001427566464 1003205891 /nfs/dbraw/zinc/20/58/91/1003205891.db2.gz FAAVUHNLLXIATP-UHFFFAOYSA-N -1 0 309.326 -0.196 20 0 DBADRM C[C@H](CNC(=O)Cn1cncn1)CNc1ccnc(C(=O)[O-])n1 ZINC001592653900 1016736596 /nfs/dbraw/zinc/73/65/96/1016736596.db2.gz CZIHCBDDHVPOFM-VIFPVBQESA-N -1 0 319.325 -0.947 20 0 DBADRM C[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1)C(=O)[O-] ZINC001592660708 1016737496 /nfs/dbraw/zinc/73/74/96/1016737496.db2.gz UNIBVQQHPILSDI-VIFPVBQESA-N -1 0 301.343 -0.103 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001427646703 1003244713 /nfs/dbraw/zinc/24/47/13/1003244713.db2.gz TXRFUGPLGYFTBK-OPRDCNLKSA-N -1 0 322.365 -0.281 20 0 DBADRM C[C@@H](CNC(=O)c1cn(C)nn1)N(C)c1ccnc(C(=O)[O-])n1 ZINC001592701101 1016746004 /nfs/dbraw/zinc/74/60/04/1016746004.db2.gz IZEHHEGQXUTSDR-QMMMGPOBSA-N -1 0 319.325 -0.442 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)S(C)(=O)=O ZINC001592692639 1016748155 /nfs/dbraw/zinc/74/81/55/1016748155.db2.gz WKXIMTYNRWVFGU-LPEHRKFASA-N -1 0 307.368 -0.052 20 0 DBADRM C[C@H](CNC(=O)c1cnn(C)n1)N(C)c1ccnc(C(=O)[O-])n1 ZINC001592706165 1016749972 /nfs/dbraw/zinc/74/99/72/1016749972.db2.gz OUWFXDZQBBNTFW-MRVPVSSYSA-N -1 0 319.325 -0.442 20 0 DBADRM C[C@@H](CNC(=O)c1cncn1C)CNc1ccnc(C(=O)[O-])n1 ZINC001592705208 1016750269 /nfs/dbraw/zinc/75/02/69/1016750269.db2.gz BGTHQNXMAOJPOM-SECBINFHSA-N -1 0 318.337 -0.192 20 0 DBADRM CC[C@H](CNC(=O)C1(C)CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001416235187 1003275325 /nfs/dbraw/zinc/27/53/25/1003275325.db2.gz NVKMELIMITZTSM-SECBINFHSA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@@H](CNC(=O)c1cnn(C)c1N)Nc1ncc(C(=O)[O-])cn1 ZINC001592706134 1016750694 /nfs/dbraw/zinc/75/06/94/1016750694.db2.gz NMCQQUSKLCIPBX-ZETCQYMHSA-N -1 0 319.325 -0.279 20 0 DBADRM C[C@@H](CNC(=O)c1cnc(C(=O)[O-])cn1)CN1CCOCC1 ZINC001592702427 1016752364 /nfs/dbraw/zinc/75/23/64/1016752364.db2.gz XNLNMCAMDCTJKW-JTQLQIEISA-N -1 0 308.338 -0.127 20 0 DBADRM C[C@H](CNC(=O)c1nnc[n-]1)CNc1cc[nH+]c(C(=O)[O-])n1 ZINC001592705297 1016752556 /nfs/dbraw/zinc/75/25/56/1016752556.db2.gz FODHIAPGSNOARP-ZETCQYMHSA-N -1 0 305.298 -0.807 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001416279508 1003296312 /nfs/dbraw/zinc/29/63/12/1003296312.db2.gz OICUJLKMYVVWSN-AEJSXWLSSA-N -1 0 322.365 -0.234 20 0 DBADRM C[C@@H](CNS(=O)(=O)N(C)CCC(=O)[O-])N1CCCCC1=O ZINC001592716057 1016757497 /nfs/dbraw/zinc/75/74/97/1016757497.db2.gz OPKXYLVDQIOFQE-JTQLQIEISA-N -1 0 321.399 -0.372 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)C1CCC1 ZINC001416421690 1003321939 /nfs/dbraw/zinc/32/19/39/1003321939.db2.gz NEMLQMPAVQWMAG-MRVPVSSYSA-N -1 0 311.342 -0.642 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CC(=O)NC(C)(C)C)C2)c1[O-] ZINC001438044490 1003326406 /nfs/dbraw/zinc/32/64/06/1003326406.db2.gz QKEJLJLYOWQSTM-UHFFFAOYSA-N -1 0 309.370 -0.248 20 0 DBADRM CC(C)[C@H](F)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001495862390 1016761083 /nfs/dbraw/zinc/76/10/83/1016761083.db2.gz WRWILGAMEBADIM-ONGXEEELSA-N -1 0 315.349 -0.179 20 0 DBADRM CC[C@H](F)CN1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001438065492 1003336393 /nfs/dbraw/zinc/33/63/93/1003336393.db2.gz VDVAVBBHUAFSNU-QMMMGPOBSA-N -1 0 313.333 -0.236 20 0 DBADRM NC(=O)NC(=O)CN1CC(CNC(=O)c2ccccc2O)C1 ZINC001438107153 1003351038 /nfs/dbraw/zinc/35/10/38/1003351038.db2.gz XBRCFOWPZVTLGO-UHFFFAOYSA-N -1 0 306.322 -0.751 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)Cn1cccn1 ZINC001592716437 1016755542 /nfs/dbraw/zinc/75/55/42/1016755542.db2.gz VTSMXJATGFDBME-QMMMGPOBSA-N -1 0 313.339 -0.081 20 0 DBADRM NC(=O)CC1CC(NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001592724459 1016768310 /nfs/dbraw/zinc/76/83/10/1016768310.db2.gz LSDHPZRPXDVLKY-UHFFFAOYSA-N -1 0 316.321 -0.044 20 0 DBADRM CCn1ncc(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)n1 ZINC001597956778 1017219301 /nfs/dbraw/zinc/21/93/01/1017219301.db2.gz AOFKDUAQLCXNKP-UHFFFAOYSA-N -1 0 302.356 -0.028 20 0 DBADRM NC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001592731534 1016777094 /nfs/dbraw/zinc/77/70/94/1016777094.db2.gz DAAJMCMKAUAPIV-QMMMGPOBSA-N -1 0 317.309 -0.545 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001592734200 1016780375 /nfs/dbraw/zinc/78/03/75/1016780375.db2.gz SPOJMIOUOGPXQD-UWVGGRQHSA-N -1 0 309.384 -0.460 20 0 DBADRM C[C@](CO)(NC(=O)CN1Cc2ccccc2OC1=O)C(=O)[O-] ZINC001592741022 1016783354 /nfs/dbraw/zinc/78/33/54/1016783354.db2.gz DDGWVNGVEZRAKQ-CQSZACIVSA-N -1 0 308.290 -0.047 20 0 DBADRM C[C@](CO)(NC(=O)C[C@@H](NC(N)=O)c1cccs1)C(=O)[O-] ZINC001592742501 1016783503 /nfs/dbraw/zinc/78/35/03/1016783503.db2.gz PBHZKYFFCWJTCL-JMCQJSRRSA-N -1 0 315.351 -0.201 20 0 DBADRM C[C@@](CO)(NC(=O)C[C@@H](NC(N)=O)c1cccs1)C(=O)[O-] ZINC001592742505 1016784911 /nfs/dbraw/zinc/78/49/11/1016784911.db2.gz PBHZKYFFCWJTCL-KRTXAFLBSA-N -1 0 315.351 -0.201 20 0 DBADRM C[C@](CO)(NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2O)C(=O)[O-] ZINC001592743056 1016785028 /nfs/dbraw/zinc/78/50/28/1016785028.db2.gz AIIONXWFCIPYQE-QMTHXVAHSA-N -1 0 310.306 -0.278 20 0 DBADRM C[C@](CO)(NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC001592741992 1016785698 /nfs/dbraw/zinc/78/56/98/1016785698.db2.gz MOXMUMXZYBKYNI-GZMMTYOYSA-N -1 0 305.352 -0.847 20 0 DBADRM C[C@](CO)(NC(=O)CNC(=O)COc1ccccc1)C(=O)[O-] ZINC001592741312 1016785746 /nfs/dbraw/zinc/78/57/46/1016785746.db2.gz GLOMEQHWQASEMM-CQSZACIVSA-N -1 0 310.306 -0.867 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2cncn2C)c1[O-] ZINC001416801264 1003539693 /nfs/dbraw/zinc/53/96/93/1003539693.db2.gz ISDBKUNHXLIDSI-SSDOTTSWSA-N -1 0 306.326 -0.294 20 0 DBADRM C[C@](CO)(NC(=O)c1cccc(N2C(=O)CCC2=O)c1)C(=O)[O-] ZINC001592743229 1016786351 /nfs/dbraw/zinc/78/63/51/1016786351.db2.gz CBPNVAGXVFQBJX-OAHLLOKOSA-N -1 0 320.301 -0.095 20 0 DBADRM C[C@@](CO)(NC(=O)CNC(=O)OCC(F)(F)F)C(=O)[O-] ZINC001592743963 1016788331 /nfs/dbraw/zinc/78/83/31/1016788331.db2.gz WIPYNVYPVGZAFE-QMMMGPOBSA-N -1 0 302.205 -0.773 20 0 DBADRM C[C@@](CO)(NCC(=O)NC[C@H]1COc2ccccc2O1)C(=O)[O-] ZINC001592749800 1016791028 /nfs/dbraw/zinc/79/10/28/1016791028.db2.gz MOGPUUGKGJDUHY-BONVTDFDSA-N -1 0 324.333 -0.632 20 0 DBADRM C[C@H](CNC(=O)C1(C2CC2)CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001416839709 1003582852 /nfs/dbraw/zinc/58/28/52/1003582852.db2.gz ZJXWHBWSQRFDJT-SSDOTTSWSA-N -1 0 321.337 -0.293 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)Cc2ncc[nH]2)c1[O-] ZINC001416851469 1003595182 /nfs/dbraw/zinc/59/51/82/1003595182.db2.gz CHIRGBMDZHQQHX-SSDOTTSWSA-N -1 0 306.326 -0.376 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@H]2CCC(=O)N2C)c1[O-] ZINC001416884571 1003621991 /nfs/dbraw/zinc/62/19/91/1003621991.db2.gz JHSCWYXKRHXIMZ-IONNQARKSA-N -1 0 323.353 -0.721 20 0 DBADRM C[C@H](CO)NC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001592761375 1016800711 /nfs/dbraw/zinc/80/07/11/1016800711.db2.gz AIYHWIAHXCOEEF-ZCFIWIBFSA-N -1 0 310.262 -0.451 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001592771362 1016800990 /nfs/dbraw/zinc/80/09/90/1016800990.db2.gz DNGQJTSSHHQARI-GWOFURMSSA-N -1 0 314.338 -0.724 20 0 DBADRM C[C@@H](CS(=O)(=O)N(C)C)OC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001592788650 1016802191 /nfs/dbraw/zinc/80/21/91/1016802191.db2.gz UPNTULVTROUSSD-QMMMGPOBSA-N -1 0 319.339 -0.596 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[C@@H](NC(=O)N(C)C)C1)C(=O)[O-] ZINC001592798257 1016803002 /nfs/dbraw/zinc/80/30/02/1016803002.db2.gz NBJGOGRYMNKCBI-VHSXEESVSA-N -1 0 321.399 -0.228 20 0 DBADRM O=C(C=Cc1ccccc1-c1nn[nH]n1)NCc1nc(=O)o[n-]1 ZINC001592796540 1016803072 /nfs/dbraw/zinc/80/30/72/1016803072.db2.gz OWDMRJDZJWFNPI-WAYWQWQTSA-N -1 0 313.277 -0.127 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@H]2OCCNC(=O)[C@H]21)C(=O)[O-] ZINC001592799706 1016803729 /nfs/dbraw/zinc/80/37/29/1016803729.db2.gz ZHOXKOLSQQATHW-BBBLOLIVSA-N -1 0 320.367 -0.984 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC([C@H](F)C(N)=O)CC1)C(=O)[O-] ZINC001592799581 1016804018 /nfs/dbraw/zinc/80/40/18/1016804018.db2.gz VPYLTMAGRKUEHW-APPZFPTMSA-N -1 0 310.347 -0.428 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])C1CC1 ZINC001592799444 1016804226 /nfs/dbraw/zinc/80/42/26/1016804226.db2.gz CFQGNLVOSLSYKD-WCBMZHEXSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCCCCC(=O)[O-] ZINC001592815114 1016805732 /nfs/dbraw/zinc/80/57/32/1016805732.db2.gz BEBFJDJFXAPJEO-VIFPVBQESA-N -1 0 322.383 -0.751 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001592813775 1016805793 /nfs/dbraw/zinc/80/57/93/1016805793.db2.gz GQZZBJLKRCCISH-KXUCPTDWSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001592816217 1016805924 /nfs/dbraw/zinc/80/59/24/1016805924.db2.gz PAJIBFSDECAYIU-KXUCPTDWSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCCCCC(=O)[O-] ZINC001592815113 1016805997 /nfs/dbraw/zinc/80/59/97/1016805997.db2.gz BEBFJDJFXAPJEO-SECBINFHSA-N -1 0 322.383 -0.751 20 0 DBADRM C[C@H](CS(=O)(=O)NC[C@H](CO)c1cccnc1)C(=O)[O-] ZINC001592808867 1016806331 /nfs/dbraw/zinc/80/63/31/1016806331.db2.gz NATXWKQMYSDDHL-MWLCHTKSSA-N -1 0 302.352 -0.202 20 0 DBADRM C[C@@H](CS(=O)(=O)NCc1noc2c1COCC2)C(=O)[O-] ZINC001592815361 1016806389 /nfs/dbraw/zinc/80/63/89/1016806389.db2.gz HKYIMCVXIDEBIL-ZETCQYMHSA-N -1 0 304.324 -0.113 20 0 DBADRM O=C(CC1CC1)NC/C=C\CNc1ccnc(-c2nnn[n-]2)n1 ZINC001592813628 1016806405 /nfs/dbraw/zinc/80/64/05/1016806405.db2.gz PYCPKQYSMUEYOF-UPHRSURJSA-N -1 0 314.353 -0.037 20 0 DBADRM C[C@H](CS(=O)(=O)NCc1ccc(CC(N)=O)cc1)C(=O)[O-] ZINC001592816229 1016806647 /nfs/dbraw/zinc/80/66/47/1016806647.db2.gz MOUMIPGDNINEEZ-SECBINFHSA-N -1 0 314.363 -0.146 20 0 DBADRM O=C(C[C@@H]1CCCOC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592823318 1016807248 /nfs/dbraw/zinc/80/72/48/1016807248.db2.gz AKFSQAPZEIKDRR-VIFPVBQESA-N -1 0 306.330 -0.609 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001592822286 1016807350 /nfs/dbraw/zinc/80/73/50/1016807350.db2.gz JUKOCHGBOIVKGS-GFIAGRMLSA-N -1 0 304.368 -0.951 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001592822069 1016808868 /nfs/dbraw/zinc/80/88/68/1016808868.db2.gz DQZPWTSBMWAZTP-FFVOIRBGSA-N -1 0 307.372 -0.966 20 0 DBADRM O=C(CCCn1cccn1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592840688 1016808977 /nfs/dbraw/zinc/80/89/77/1016808977.db2.gz LZFNQGOUIFPRPW-UHFFFAOYSA-N -1 0 316.329 -0.749 20 0 DBADRM CCC(=O)N[C@H]1C[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001428165784 1003679257 /nfs/dbraw/zinc/67/92/57/1003679257.db2.gz DCEAOENZEJQZGC-ZKCHVHJHSA-N -1 0 309.326 -0.611 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001592925867 1016816403 /nfs/dbraw/zinc/81/64/03/1016816403.db2.gz JFAFKVHOJROGFS-SNVBAGLBSA-N -1 0 304.306 -0.052 20 0 DBADRM O=C(CN1CC[C@@H](O)[C@@H](O)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC001592870006 1016810465 /nfs/dbraw/zinc/81/04/65/1016810465.db2.gz VLJHJOSMVFRFHK-NEPJUHHUSA-N -1 0 318.337 -0.767 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)c1ccc(C(N)=O)nc1)C(=O)[O-] ZINC001592924931 1016816495 /nfs/dbraw/zinc/81/64/95/1016816495.db2.gz NSEVSYJSJWPMKZ-CQSZACIVSA-N -1 0 317.305 -0.350 20 0 DBADRM O=C(COCC1CC1)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001592887275 1016812029 /nfs/dbraw/zinc/81/20/29/1016812029.db2.gz QTPQHOFIDKCLQG-UHFFFAOYSA-N -1 0 318.341 -0.967 20 0 DBADRM CN(CCN(C)C(=O)c1cccc(=O)[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001438863082 1003700979 /nfs/dbraw/zinc/70/09/79/1003700979.db2.gz CPLYNBKHJMTTOC-UHFFFAOYSA-N -1 0 306.326 -0.185 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001592908634 1016814021 /nfs/dbraw/zinc/81/40/21/1016814021.db2.gz FVHSKTKIIXBTCD-ONGXEEELSA-N -1 0 306.326 -0.540 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)CCN1CCCC1=O)C(=O)[O-] ZINC001592916265 1016814357 /nfs/dbraw/zinc/81/43/57/1016814357.db2.gz CIBIHZYIWIRAGR-AWEZNQCLSA-N -1 0 308.338 -0.145 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001592909582 1016814498 /nfs/dbraw/zinc/81/44/98/1016814498.db2.gz ZSXWCSLHKZDIPC-ONGXEEELSA-N -1 0 311.338 -0.069 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)CCN1CCCC1=O)C(=O)[O-] ZINC001592916266 1016814769 /nfs/dbraw/zinc/81/47/69/1016814769.db2.gz CIBIHZYIWIRAGR-CQSZACIVSA-N -1 0 308.338 -0.145 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)CN1CCCCC1=O)C(=O)[O-] ZINC001592917794 1016814835 /nfs/dbraw/zinc/81/48/35/1016814835.db2.gz UXXRIKUPYLGURE-CQSZACIVSA-N -1 0 308.338 -0.145 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)CC1(O)CCOCC1)C(=O)[O-] ZINC001592916808 1016814845 /nfs/dbraw/zinc/81/48/45/1016814845.db2.gz JQXWWDREMIMZGW-CYBMUJFWSA-N -1 0 311.338 -0.226 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)CN1CCC(CO)CC1)C(=O)[O-] ZINC001592917289 1016815393 /nfs/dbraw/zinc/81/53/93/1016815393.db2.gz MTMRPWUATXUYFD-OAHLLOKOSA-N -1 0 324.381 -0.453 20 0 DBADRM C[C@@H](Cc1c[nH]cn1)C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001592907702 1016815887 /nfs/dbraw/zinc/81/58/87/1016815887.db2.gz PXZUSJKACDGDMZ-VIFPVBQESA-N -1 0 318.337 -0.273 20 0 DBADRM O=C(COc1cnc(-c2nnn[n-]2)nc1)NCc1ccco1 ZINC001592899479 1016815911 /nfs/dbraw/zinc/81/59/11/1016815911.db2.gz DXYUFGJRZDCLMF-UHFFFAOYSA-N -1 0 301.266 -0.055 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@H]1CCCSC1 ZINC001592940878 1016821162 /nfs/dbraw/zinc/82/11/62/1016821162.db2.gz GMHXEGFINOIIIE-MRVPVSSYSA-N -1 0 308.371 -0.282 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@H]1CCC[C@@H](O)C1 ZINC001592940847 1016821284 /nfs/dbraw/zinc/82/12/84/1016821284.db2.gz DDJWNBIDMPJNEK-DTWKUNHWSA-N -1 0 306.330 -0.875 20 0 DBADRM Cc1ncc(CN(C)CCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001438894637 1003723797 /nfs/dbraw/zinc/72/37/97/1003723797.db2.gz IAVSMNBWIVTEBZ-UHFFFAOYSA-N -1 0 322.325 -0.217 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001416989352 1003727942 /nfs/dbraw/zinc/72/79/42/1003727942.db2.gz TUJGKLFFMVDBIE-WCBMZHEXSA-N -1 0 323.353 -0.721 20 0 DBADRM O=C(Cc1cccc(O)c1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592922169 1016816968 /nfs/dbraw/zinc/81/69/68/1016816968.db2.gz VXZHEDLBNPGGJM-UHFFFAOYSA-N -1 0 314.309 -0.477 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)CSCC(N)=O)C(=O)[O-] ZINC001592918119 1016817096 /nfs/dbraw/zinc/81/70/96/1016817096.db2.gz YCVXRHHEYRZTQD-NSHDSACASA-N -1 0 300.340 -0.939 20 0 DBADRM C[C@](Cn1cccn1)(NCC(=O)NC[C@@H]1CCCO1)C(=O)[O-] ZINC001592923016 1016817683 /nfs/dbraw/zinc/81/76/83/1016817683.db2.gz GSUGNFYAXMTQAV-SMDDNHRTSA-N -1 0 310.354 -0.389 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001592931552 1016818698 /nfs/dbraw/zinc/81/86/98/1016818698.db2.gz XINYRNKXQJLCMZ-QWRGUYRKSA-N -1 0 324.337 -0.910 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001592931622 1016819090 /nfs/dbraw/zinc/81/90/90/1016819090.db2.gz YEAKGUFGQMDHSS-WDEREUQCSA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001592931617 1016819135 /nfs/dbraw/zinc/81/91/35/1016819135.db2.gz YEAKGUFGQMDHSS-GHMZBOCLSA-N -1 0 308.338 -0.289 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CC(=O)c2ccccc21 ZINC001592939862 1016819539 /nfs/dbraw/zinc/81/95/39/1016819539.db2.gz KWZVWHTVCDFMDU-SNVBAGLBSA-N -1 0 324.304 -0.098 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001592931553 1016819596 /nfs/dbraw/zinc/81/95/96/1016819596.db2.gz XINYRNKXQJLCMZ-WDEREUQCSA-N -1 0 324.337 -0.910 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N[C@@H]1C=CCCC1 ZINC001592934204 1016820016 /nfs/dbraw/zinc/82/00/16/1016820016.db2.gz HHEXIDOONGTBQX-MRVPVSSYSA-N -1 0 317.309 -0.646 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001592990679 1016828991 /nfs/dbraw/zinc/82/89/91/1016828991.db2.gz GPRGWIXUKRBOSL-RKDXNWHRSA-N -1 0 313.354 -0.709 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC(C(=O)[O-])CC1)c1cnn(C)c1 ZINC001592970914 1016826925 /nfs/dbraw/zinc/82/69/25/1016826925.db2.gz MSMFLLCDTHDBOC-VIFPVBQESA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1nnc2n1CCC2 ZINC001592971343 1016827963 /nfs/dbraw/zinc/82/79/63/1016827963.db2.gz QUJUBBRLTICFSE-BDAKNGLRSA-N -1 0 321.337 -0.665 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccnn1C ZINC001592970201 1016828041 /nfs/dbraw/zinc/82/80/41/1016828041.db2.gz DJPPVDFHKDBQOW-LKFCYVNXSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001417103444 1003818450 /nfs/dbraw/zinc/81/84/50/1003818450.db2.gz SQAGOMGZUOHNRR-BQBZGAKWSA-N -1 0 307.310 -0.683 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3ccn[nH]3)CC2)c1[O-] ZINC001417106981 1003820294 /nfs/dbraw/zinc/82/02/94/1003820294.db2.gz PDDRFOAZMKVWMA-UHFFFAOYSA-N -1 0 304.310 -0.161 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001592981108 1016828329 /nfs/dbraw/zinc/82/83/29/1016828329.db2.gz OCXKEDUKUDXBSQ-VLEAKVRGSA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)c1cnn(C)c1 ZINC001592980655 1016828402 /nfs/dbraw/zinc/82/84/02/1016828402.db2.gz XXVTXESZXMFNSL-SSDOTTSWSA-N -1 0 320.309 -0.332 20 0 DBADRM CCC(=O)NC1(CNC(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001417139779 1003831143 /nfs/dbraw/zinc/83/11/43/1003831143.db2.gz BSJLMQXWOKOVAS-UHFFFAOYSA-N -1 0 303.322 -0.189 20 0 DBADRM CCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001428530717 1003854282 /nfs/dbraw/zinc/85/42/82/1003854282.db2.gz JWIXRLCWKABHRP-DTWKUNHWSA-N -1 0 310.354 -0.091 20 0 DBADRM C[C@H](C[C@H](C)NC(=O)C(F)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001428526218 1003854386 /nfs/dbraw/zinc/85/43/86/1003854386.db2.gz CWFOHGWATWNVTO-RITPCOANSA-N -1 0 321.284 -0.646 20 0 DBADRM C[C@H](NC(=O)C(=O)N(C)CCCO)c1ncc(C(=O)[O-])s1 ZINC001592967843 1016825812 /nfs/dbraw/zinc/82/58/12/1016825812.db2.gz HSZKVERRGQEEMP-ZETCQYMHSA-N -1 0 315.351 -0.141 20 0 DBADRM CCC(=O)N[C@@]1(C)CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001417297320 1003861952 /nfs/dbraw/zinc/86/19/52/1003861952.db2.gz DVHQREAVQYLCSL-AWEZNQCLSA-N -1 0 323.353 -0.267 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)CCn2ccnn2)c1[O-] ZINC001428595343 1003867392 /nfs/dbraw/zinc/86/73/92/1003867392.db2.gz IWZUPUJOBSZPMD-MRVPVSSYSA-N -1 0 321.341 -0.660 20 0 DBADRM O=C(NC[C@H](O)CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001593016066 1016831218 /nfs/dbraw/zinc/83/12/18/1016831218.db2.gz FTOKOSCAUVDFOD-VKHMYHEASA-N -1 0 319.734 -0.549 20 0 DBADRM CCn1[n-]nnc1=NC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC001417448127 1003882277 /nfs/dbraw/zinc/88/22/77/1003882277.db2.gz IGXNQTCRTNNHJG-UHFFFAOYSA-N -1 0 309.351 -0.088 20 0 DBADRM C[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1N=NC(=O)N1C ZINC001593019455 1016832484 /nfs/dbraw/zinc/83/24/84/1016832484.db2.gz BZDPLXJIBRBCFX-XHNCKOQMSA-N -1 0 312.326 -0.032 20 0 DBADRM O=C(CCc1nnn[n-]1)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC001417608568 1003897730 /nfs/dbraw/zinc/89/77/30/1003897730.db2.gz GRTVYQDTTBYPTB-UHFFFAOYSA-N -1 0 316.325 -0.898 20 0 DBADRM CCNC(=O)CCC(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001439305930 1003898656 /nfs/dbraw/zinc/89/86/56/1003898656.db2.gz QOAGJUHYWBCSGT-SECBINFHSA-N -1 0 312.374 -0.637 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC001417613698 1003899229 /nfs/dbraw/zinc/89/92/29/1003899229.db2.gz JMYRWEZYHSHLBA-SECBINFHSA-N -1 0 308.298 -0.297 20 0 DBADRM CCOC(=O)CN(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001417620376 1003902168 /nfs/dbraw/zinc/90/21/68/1003902168.db2.gz UMJZNGALPWZQDF-UHFFFAOYSA-N -1 0 304.310 -0.290 20 0 DBADRM C[C@@H](NC(=O)CN1CC(F)(F)C[C@H]1C(=O)[O-])C(=O)N(C)C ZINC001593026011 1016833513 /nfs/dbraw/zinc/83/35/13/1016833513.db2.gz QEDQAUJTKPSGBO-SFYZADRCSA-N -1 0 307.297 -0.627 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCCN(CC(F)(F)F)CC1 ZINC001417619220 1003902462 /nfs/dbraw/zinc/90/24/62/1003902462.db2.gz RGMVJIJBQWELMS-UHFFFAOYSA-N -1 0 323.275 -0.214 20 0 DBADRM C[C@H](NC(=O)COC(=O)c1cccc(C(=O)[O-])n1)C(=O)N(C)C ZINC001593029260 1016834010 /nfs/dbraw/zinc/83/40/10/1016834010.db2.gz BMRPVDFDHKLSKL-QMMMGPOBSA-N -1 0 323.305 -0.471 20 0 DBADRM C[C@H](NC(=O)COC(=O)c1ccc(C(=O)[O-])nc1)C(=O)N(C)C ZINC001593029343 1016834622 /nfs/dbraw/zinc/83/46/22/1016834622.db2.gz CVFBQIJZBWBMEN-QMMMGPOBSA-N -1 0 323.305 -0.471 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)CC2 ZINC001417631826 1003916847 /nfs/dbraw/zinc/91/68/47/1003916847.db2.gz UTMUNXMURHKGRJ-SECBINFHSA-N -1 0 321.341 -0.499 20 0 DBADRM Cc1c(Br)c(C(=O)NCc2nnn[n-]2)nn1C ZINC001417634298 1003923193 /nfs/dbraw/zinc/92/31/93/1003923193.db2.gz XSJLJLZBLQAGLD-UHFFFAOYSA-N -1 0 300.120 -0.066 20 0 DBADRM C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1nnc2n1CCC2 ZINC001593049577 1016835063 /nfs/dbraw/zinc/83/50/63/1016835063.db2.gz DXQFDVZYQQQTTB-ZETCQYMHSA-N -1 0 305.298 -0.609 20 0 DBADRM C[C@@]1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001417636041 1003926166 /nfs/dbraw/zinc/92/61/66/1003926166.db2.gz QDGAXENDQALWRK-KCJUWKMLSA-N -1 0 315.355 -0.933 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001592990677 1016829584 /nfs/dbraw/zinc/82/95/84/1016829584.db2.gz GPRGWIXUKRBOSL-DTWKUNHWSA-N -1 0 313.354 -0.709 20 0 DBADRM CC(=O)NC1CCC(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CC1 ZINC001417635750 1003927951 /nfs/dbraw/zinc/92/79/51/1003927951.db2.gz FQVQBDLSYPKKKP-MCIGGMRASA-N -1 0 322.369 -0.206 20 0 DBADRM C[C@]1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001417636040 1003928927 /nfs/dbraw/zinc/92/89/27/1003928927.db2.gz QDGAXENDQALWRK-GZMMTYOYSA-N -1 0 315.355 -0.933 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1)C1(CO)CC1 ZINC001592990926 1016829817 /nfs/dbraw/zinc/82/98/17/1016829817.db2.gz JXWYQLKXCTVLBJ-MRVPVSSYSA-N -1 0 307.306 -0.005 20 0 DBADRM C[C@H](NC(=O)C1CCCC1)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001593002389 1016829963 /nfs/dbraw/zinc/82/99/63/1016829963.db2.gz GSXVVOIAJRKHHH-GXSJLCMTSA-N -1 0 323.353 -0.458 20 0 DBADRM C[C@@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1nc(C(F)(F)F)no1 ZINC001593051553 1016835621 /nfs/dbraw/zinc/83/56/21/1016835621.db2.gz KXAJMOGNNJMMPQ-SCSAIBSYSA-N -1 0 324.215 -0.010 20 0 DBADRM C[C@H](N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1)C(F)(F)F ZINC001417655290 1003944887 /nfs/dbraw/zinc/94/48/87/1003944887.db2.gz PRJCITRBXICVJO-ZETCQYMHSA-N -1 0 323.275 -0.216 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)c1nnnn1C1CC1 ZINC001593062870 1016836555 /nfs/dbraw/zinc/83/65/55/1016836555.db2.gz MSYWSQMSGIQTQP-WCBMZHEXSA-N -1 0 324.341 -0.046 20 0 DBADRM C[C@H](NC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC001593054797 1016836656 /nfs/dbraw/zinc/83/66/56/1016836656.db2.gz ZOWOIAMJTGEJHT-QCNOEVLYSA-N -1 0 315.370 -0.818 20 0 DBADRM C[C@H](NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)c1ncn(C)n1 ZINC001593057095 1016836925 /nfs/dbraw/zinc/83/69/25/1016836925.db2.gz YLLQDJGXVAHPLT-WPRPVWTQSA-N -1 0 311.342 -0.257 20 0 DBADRM C[C@@H](NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)C1(S(C)(=O)=O)CC1 ZINC001593078799 1016837862 /nfs/dbraw/zinc/83/78/62/1016837862.db2.gz OHXKEUCXHTXCBU-IMSYWVGJSA-N -1 0 316.379 -0.076 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H](CO)c1c(F)cccc1F ZINC001417690862 1003974389 /nfs/dbraw/zinc/97/43/89/1003974389.db2.gz HFFBOGLOWQNJHD-MRVPVSSYSA-N -1 0 314.248 -0.183 20 0 DBADRM O=C(NCCNCc1ccon1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001593089477 1016840581 /nfs/dbraw/zinc/84/05/81/1016840581.db2.gz XWTRZAKUBSZTHU-UHFFFAOYSA-N -1 0 302.298 -0.298 20 0 DBADRM Cn1[nH]c([C@@H]2CCCN2C(=O)CSc2n[nH]c(=O)[n-]2)nc1=N ZINC001417723248 1004005765 /nfs/dbraw/zinc/00/57/65/1004005765.db2.gz CZVUSVHUYDPTLV-LURJTMIESA-N -1 0 324.370 -0.493 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CNCc2ncnn2C)C2CC2)c1[O-] ZINC001439464010 1004006709 /nfs/dbraw/zinc/00/67/09/1004006709.db2.gz UALFGGYSRYVADU-SNVBAGLBSA-N -1 0 319.369 -0.150 20 0 DBADRM CC(=O)c1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)n(C)c1 ZINC001417725631 1004008333 /nfs/dbraw/zinc/00/83/33/1004008333.db2.gz CAHVDXSHMQTREE-UHFFFAOYSA-N -1 0 318.337 -0.135 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001417729864 1004009204 /nfs/dbraw/zinc/00/92/04/1004009204.db2.gz KCFPDJADVGASNN-PRHODGIISA-N -1 0 300.315 -0.874 20 0 DBADRM Cn1cnnc1COCC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001417727379 1004010135 /nfs/dbraw/zinc/01/01/35/1004010135.db2.gz SUVNNLUCUYBBRB-SECBINFHSA-N -1 0 321.341 -0.438 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)cc2=O)n1 ZINC001417733520 1004010864 /nfs/dbraw/zinc/01/08/64/1004010864.db2.gz RLPWKUOUAZGYGY-IWIIMEHWSA-N -1 0 315.333 -0.053 20 0 DBADRM Cc1nccn1CC(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001417744876 1004016524 /nfs/dbraw/zinc/01/65/24/1004016524.db2.gz MRFRDIBPESERLY-NSHDSACASA-N -1 0 319.369 -0.252 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@@]1(C)CCOC1 ZINC001417749804 1004020354 /nfs/dbraw/zinc/02/03/54/1004020354.db2.gz XVZJGUCUVLXXQE-HZMBPMFUSA-N -1 0 309.370 -0.030 20 0 DBADRM C[C@@H](NC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)C(N)=O ZINC001593110746 1016844845 /nfs/dbraw/zinc/84/48/45/1016844845.db2.gz AKUPSUAHRPITNQ-MRVPVSSYSA-N -1 0 322.321 -0.114 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccc2cc[nH]c2n1 ZINC001593111947 1016845366 /nfs/dbraw/zinc/84/53/66/1016845366.db2.gz JAWQCRWUKLOENQ-UHFFFAOYSA-N -1 0 324.308 -0.236 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1[nH]nc2ccccc21 ZINC001593111975 1016845512 /nfs/dbraw/zinc/84/55/12/1016845512.db2.gz FLGCWMXHGBHVJZ-UHFFFAOYSA-N -1 0 324.308 -0.236 20 0 DBADRM C[C@@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)c1nnc2c(=O)[nH]ccn21 ZINC001593145746 1016847967 /nfs/dbraw/zinc/84/79/67/1016847967.db2.gz HOTQKUMBUVGNFH-ZCFIWIBFSA-N -1 0 316.277 -0.065 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1c[nH]nc1C1CC1 ZINC001593112488 1016846428 /nfs/dbraw/zinc/84/64/28/1016846428.db2.gz OCKCELLGBSXLAJ-UHFFFAOYSA-N -1 0 314.313 -0.511 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cncc(Cl)n1 ZINC001593113032 1016846495 /nfs/dbraw/zinc/84/64/95/1016846495.db2.gz VQDMAIYDUWEMDY-UHFFFAOYSA-N -1 0 320.704 -0.668 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cccc2nccn21 ZINC001593112762 1016846782 /nfs/dbraw/zinc/84/67/82/1016846782.db2.gz RKMQOXIZMKSEFD-UHFFFAOYSA-N -1 0 324.308 -0.464 20 0 DBADRM Cc1nc(C)n(C2CN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001417813509 1004049467 /nfs/dbraw/zinc/04/94/67/1004049467.db2.gz DSRMOPUEUJWCRV-UHFFFAOYSA-N -1 0 321.341 -0.239 20 0 DBADRM C[C@@H](NC(=O)NCCC(=O)NCCC(=O)[O-])C1(CO)CC1 ZINC001593089695 1016841636 /nfs/dbraw/zinc/84/16/36/1016841636.db2.gz ZGKOGCNQSTULIQ-SECBINFHSA-N -1 0 301.343 -0.572 20 0 DBADRM CON1CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1 ZINC001417835102 1004062829 /nfs/dbraw/zinc/06/28/29/1004062829.db2.gz DAMCMEDNNMHIGT-UHFFFAOYSA-N -1 0 319.321 -0.415 20 0 DBADRM CCOc1cc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)on1 ZINC001439625823 1004074057 /nfs/dbraw/zinc/07/40/57/1004074057.db2.gz FVDQWCUEBDQQLA-UHFFFAOYSA-N -1 0 322.325 -0.051 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)C1CCSCC1 ZINC001593110269 1016843339 /nfs/dbraw/zinc/84/33/39/1016843339.db2.gz UZCCCTPGUQLBCD-UHFFFAOYSA-N -1 0 308.371 -0.282 20 0 DBADRM Cc1c(Br)cnn1CC(=O)Nn1c(=O)[n-][nH]c1=O ZINC001417884487 1004087070 /nfs/dbraw/zinc/08/70/70/1004087070.db2.gz XCAOVCLPJXPNSW-UHFFFAOYSA-N -1 0 317.103 -0.273 20 0 DBADRM C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)NCC(=O)[O-] ZINC001593124759 1016848396 /nfs/dbraw/zinc/84/83/96/1016848396.db2.gz LQCMQHRQDJRAEJ-ZETCQYMHSA-N -1 0 304.299 -0.356 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCc1ccc(S(C)(=O)=O)cc1 ZINC001439794985 1004120756 /nfs/dbraw/zinc/12/07/56/1004120756.db2.gz JLFKJKNYSSTOOP-UHFFFAOYSA-N -1 0 314.363 -0.184 20 0 DBADRM Cc1cnn(CC(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001439832520 1004125569 /nfs/dbraw/zinc/12/55/69/1004125569.db2.gz LYAYVVCYAZMIAE-CQSZACIVSA-N -1 0 319.369 -0.204 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC001593154427 1016850709 /nfs/dbraw/zinc/85/07/09/1016850709.db2.gz LVDUAAHHRKSNDY-UHFFFAOYSA-N -1 0 305.689 -0.037 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)CCCc2nnn[n-]2)C1 ZINC001417961011 1004139331 /nfs/dbraw/zinc/13/93/31/1004139331.db2.gz QPHSAFPCQOBWBT-SNVBAGLBSA-N -1 0 309.374 -0.215 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC001593173150 1016850888 /nfs/dbraw/zinc/85/08/88/1016850888.db2.gz SILRBPPGVQSSBL-UHFFFAOYSA-N -1 0 322.350 -0.063 20 0 DBADRM Cc1nccn1CC(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001439875535 1004141340 /nfs/dbraw/zinc/14/13/40/1004141340.db2.gz VIYGJRHIDKBWAP-AWEZNQCLSA-N -1 0 319.369 -0.204 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001593181102 1016850957 /nfs/dbraw/zinc/85/09/57/1016850957.db2.gz FYFMCLHLRTWNDW-SNVBAGLBSA-N -1 0 309.322 -0.373 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1cc(-c2nn[nH]n2)ccc1F ZINC001593152540 1016850972 /nfs/dbraw/zinc/85/09/72/1016850972.db2.gz FGCONBAVOHSFGG-UHFFFAOYSA-N -1 0 305.229 -0.388 20 0 DBADRM O=C([O-])[C@H]1CN(c2nc3ccccn3c2-c2nn[nH]n2)CCO1 ZINC001593276707 1016857291 /nfs/dbraw/zinc/85/72/91/1016857291.db2.gz OHIDWHMHFZZIMS-MRVPVSSYSA-N -1 0 315.293 -0.196 20 0 DBADRM C[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C1N=NC(=O)N1C ZINC001593319323 1016857829 /nfs/dbraw/zinc/85/78/29/1016857829.db2.gz OWEIBTDOXQLLMQ-LURJTMIESA-N -1 0 306.344 -0.388 20 0 DBADRM CCC[C@H](C)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001439981848 1004166997 /nfs/dbraw/zinc/16/69/97/1004166997.db2.gz LJHJWTSNHHMZOK-HZMBPMFUSA-N -1 0 311.386 -0.001 20 0 DBADRM C[C@H](NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])c1nnnn1C ZINC001593318392 1016858477 /nfs/dbraw/zinc/85/84/77/1016858477.db2.gz GMVVGPCXBHCNHH-XHNCKOQMSA-N -1 0 317.371 -0.166 20 0 DBADRM C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C1N=NC(=O)N1C ZINC001593318673 1016858559 /nfs/dbraw/zinc/85/85/59/1016858559.db2.gz JINAMGKELXPBJT-SSDOTTSWSA-N -1 0 318.355 -0.244 20 0 DBADRM C[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)[C@H](C)CN1CCO ZINC001418074662 1004194923 /nfs/dbraw/zinc/19/49/23/1004194923.db2.gz ZGUUNYTUQBOSLJ-RKDXNWHRSA-N -1 0 315.399 -0.484 20 0 DBADRM C[C@@H](N[C@H]1CCN(CCC(=O)[O-])C1=O)c1nnnn1C1CC1 ZINC001593220916 1016855207 /nfs/dbraw/zinc/85/52/07/1016855207.db2.gz WPBMZONISUHRAC-SCZZXKLOSA-N -1 0 308.342 -0.266 20 0 DBADRM C[C@@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)[C@H]1CN(C)CCN1C ZINC001593320677 1016860782 /nfs/dbraw/zinc/86/07/82/1016860782.db2.gz ZEILNESHVHJUIG-GHMZBOCLSA-N -1 0 319.427 -0.453 20 0 DBADRM COC(=O)[C@@H](CC(C)(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001418178835 1004246763 /nfs/dbraw/zinc/24/67/63/1004246763.db2.gz MMBMHSMUQWAUPM-SSDOTTSWSA-N -1 0 300.315 -0.217 20 0 DBADRM C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)[C@H]1CN(C)CCO1 ZINC001593320120 1016860883 /nfs/dbraw/zinc/86/08/83/1016860883.db2.gz TWXIWFOALNPOKA-VHSXEESVSA-N -1 0 306.384 -0.510 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])no1)c1ncnn1C ZINC001593331617 1016861086 /nfs/dbraw/zinc/86/10/86/1016861086.db2.gz ZYWHNLHOTUPWJD-YFKPBYRVSA-N -1 0 301.284 -0.459 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1CNC(=O)c2ccccc21 ZINC001418188377 1004251441 /nfs/dbraw/zinc/25/14/41/1004251441.db2.gz NMVPFLIVEUVRLB-JTQLQIEISA-N -1 0 302.290 -0.152 20 0 DBADRM C[C@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)c1ncc(C(=O)[O-])s1 ZINC001593326737 1016862062 /nfs/dbraw/zinc/86/20/62/1016862062.db2.gz ZFZRSFZVEOEQDC-SHYZEUOFSA-N -1 0 322.364 -0.419 20 0 DBADRM C[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])[C@H]1CN(C)CCN1C ZINC001593319416 1016862090 /nfs/dbraw/zinc/86/20/90/1016862090.db2.gz PREVSHOJUAIJDM-WDEREUQCSA-N -1 0 321.443 -0.349 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccnc1C(=O)[O-])C(=O)NCCF ZINC001593345575 1016862767 /nfs/dbraw/zinc/86/27/67/1016862767.db2.gz QIMADXLVBBJFJN-SSDOTTSWSA-N -1 0 319.314 -0.468 20 0 DBADRM O=C(c1cnccc1-c1nn[nH]n1)N1CC[C@@H](O)[C@H](CO)C1 ZINC001593363722 1016866208 /nfs/dbraw/zinc/86/62/08/1016866208.db2.gz XTSSSKRLOQUTIL-GZMMTYOYSA-N -1 0 304.310 -0.923 20 0 DBADRM O=C(c1ccsc1-c1nn[nH]n1)N1CC[C@H](O)[C@@H](CO)C1 ZINC001593361923 1016866385 /nfs/dbraw/zinc/86/63/85/1016866385.db2.gz BRVSZPQJUDKHSE-APPZFPTMSA-N -1 0 309.351 -0.257 20 0 DBADRM O=C(c1coc(-c2nn[nH]n2)c1)N1CC(N2CC[C@@H](O)C2)C1 ZINC001593367535 1016866405 /nfs/dbraw/zinc/86/64/05/1016866405.db2.gz LOZPBUXWCKBCJH-SNVBAGLBSA-N -1 0 304.310 -0.649 20 0 DBADRM O=C(c1ccnc(-c2nn[nH]n2)c1)N1CCOC[C@@]12CCOC2 ZINC001593358824 1016866534 /nfs/dbraw/zinc/86/65/34/1016866534.db2.gz PQNCHLHKNYBQKM-AWEZNQCLSA-N -1 0 316.321 -0.107 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC001593347406 1016866686 /nfs/dbraw/zinc/86/66/86/1016866686.db2.gz JSTMZBKXCZCKCB-AATLWQCWSA-N -1 0 304.368 -0.364 20 0 DBADRM C[C@](O)(CN1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC001593396725 1016872114 /nfs/dbraw/zinc/87/21/14/1016872114.db2.gz VNZFQXRKIGRTCI-ZKWXMUAHSA-N -1 0 319.301 -0.271 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC(=O)C[C@@H]1C1CC1 ZINC001593395163 1016874086 /nfs/dbraw/zinc/87/40/86/1016874086.db2.gz RVWYFPOZPGRLOM-SNVBAGLBSA-N -1 0 316.325 -0.572 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCn2ccnc2C1)Cc1n[nH]c(=O)[n-]1 ZINC001418470977 1004419230 /nfs/dbraw/zinc/41/92/30/1004419230.db2.gz MDJSHIXENZUYGH-SNVBAGLBSA-N -1 0 319.369 -0.483 20 0 DBADRM CCn1ccc(CN(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001418515185 1004446310 /nfs/dbraw/zinc/44/63/10/1004446310.db2.gz AMYMGLJLRJYNNM-UHFFFAOYSA-N -1 0 323.357 -0.846 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001593419839 1016879341 /nfs/dbraw/zinc/87/93/41/1016879341.db2.gz OPJVYLYROOQHFO-IAQYHMDHSA-N -1 0 324.333 -0.699 20 0 DBADRM O=C1OCCN1C[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001593414979 1016879405 /nfs/dbraw/zinc/87/94/05/1016879405.db2.gz RDGUQOZJKVWESC-VIFPVBQESA-N -1 0 316.325 -0.065 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@@H](CCF)C(=O)[O-] ZINC001593420404 1016879872 /nfs/dbraw/zinc/87/98/72/1016879872.db2.gz UOONGKYKYMTPSH-TVQRCGJNSA-N -1 0 300.286 -0.472 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])[C@@H](C)c1nnnn1C ZINC001418541866 1004466372 /nfs/dbraw/zinc/46/63/72/1004466372.db2.gz HVLGIEXGNDXWAQ-VIFPVBQESA-N -1 0 322.373 -0.240 20 0 DBADRM CCN(CCNC(=O)CCc1ccncn1)Cc1n[nH]c(=O)[n-]1 ZINC001418546171 1004468253 /nfs/dbraw/zinc/46/82/53/1004468253.db2.gz WMUTUJIHYPGOFX-UHFFFAOYSA-N -1 0 319.369 -0.129 20 0 DBADRM CCN(CCNC(=O)[C@]1(C)CCNC(=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001418551803 1004471025 /nfs/dbraw/zinc/47/10/25/1004471025.db2.gz JUVLIZSSJYPJSD-CQSZACIVSA-N -1 0 324.385 -0.635 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001593427652 1016881175 /nfs/dbraw/zinc/88/11/75/1016881175.db2.gz YQIZABHFDVXXIS-QUBYGPBYSA-N -1 0 310.310 -0.668 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001593426480 1016881218 /nfs/dbraw/zinc/88/12/18/1016881218.db2.gz BTUUPGKHSUILEC-NSHDSACASA-N -1 0 320.345 -0.021 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001593424883 1016882392 /nfs/dbraw/zinc/88/23/92/1016882392.db2.gz BNOUFAGGQUYQFJ-NVZXWFNYSA-N -1 0 312.366 -0.169 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593432130 1016883073 /nfs/dbraw/zinc/88/30/73/1016883073.db2.gz LGFMNJBKDXURNA-WRWORJQWSA-N -1 0 307.306 -0.006 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001418618898 1004503915 /nfs/dbraw/zinc/50/39/15/1004503915.db2.gz WTFPLDCLGJRRHX-IUCAKERBSA-N -1 0 310.358 -0.898 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593432127 1016883294 /nfs/dbraw/zinc/88/32/94/1016883294.db2.gz LGFMNJBKDXURNA-CPCISQLKSA-N -1 0 307.306 -0.006 20 0 DBADRM O=C(COCC(F)F)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001418625737 1004510300 /nfs/dbraw/zinc/51/03/00/1004510300.db2.gz RXHCQQODNONRRQ-MRVPVSSYSA-N -1 0 319.312 -0.127 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCc1cnc(C(=O)[O-])cn1 ZINC001593431647 1016884241 /nfs/dbraw/zinc/88/42/41/1016884241.db2.gz HPXYAKDREJNPLU-WRWORJQWSA-N -1 0 323.305 -0.506 20 0 DBADRM O=S(=O)(NCCC1(CO)CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593438332 1016885760 /nfs/dbraw/zinc/88/57/60/1016885760.db2.gz IWDXBBJKHRXRIP-UHFFFAOYSA-N -1 0 313.339 -0.099 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001593438888 1016886229 /nfs/dbraw/zinc/88/62/29/1016886229.db2.gz WTLBQTKZDUXDAS-KKOKHZNYSA-N -1 0 312.366 -0.025 20 0 DBADRM O=S(=O)(NCc1cnccn1)c1ccc(-c2nnn[n-]2)o1 ZINC001593443796 1016887184 /nfs/dbraw/zinc/88/71/84/1016887184.db2.gz WYXASEXKSVZAGB-UHFFFAOYSA-N -1 0 307.295 -0.272 20 0 DBADRM O=S(=O)(NCc1ccc(-c2nn[nH]n2)cn1)c1ncc[n-]1 ZINC001593443863 1016887328 /nfs/dbraw/zinc/88/73/28/1016887328.db2.gz COSIDCUQRIVIHG-UHFFFAOYSA-N -1 0 306.311 -0.537 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCO1 ZINC001593442639 1016887527 /nfs/dbraw/zinc/88/75/27/1016887527.db2.gz SPUWILQUYXMLRE-ZRUFSTJUSA-N -1 0 302.327 -0.733 20 0 DBADRM C[C@@H](O)C[C@@H]1COCCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001593447437 1016889833 /nfs/dbraw/zinc/88/98/33/1016889833.db2.gz IQIDEZYLJFMSOZ-DGCLKSJQSA-N -1 0 314.382 -0.219 20 0 DBADRM C[C@H](O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])no2)CCO1 ZINC001593443540 1016887824 /nfs/dbraw/zinc/88/78/24/1016887824.db2.gz ZPILKHIDXSFIRO-XPUUQOCRSA-N -1 0 306.296 -0.857 20 0 DBADRM C[C@H](O)C[C@H]1COCCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001593448365 1016889221 /nfs/dbraw/zinc/88/92/21/1016889221.db2.gz RLZQHKXWSQNHKY-UWVGGRQHSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@@H](O)C[C@H]1COCCN1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001593446832 1016889454 /nfs/dbraw/zinc/88/94/54/1016889454.db2.gz FKIDSMFBRQTHPI-WISYIIOYSA-N -1 0 316.354 -0.343 20 0 DBADRM O=S(=O)(N[C@H]1C[C@@H](CO)C1)c1cccnc1-c1nnn[n-]1 ZINC001593446175 1016890097 /nfs/dbraw/zinc/89/00/97/1016890097.db2.gz WSFARTIVHKQKRE-OCAPTIKFSA-N -1 0 310.339 -0.689 20 0 DBADRM O=S(=O)(N[C@H]1CCC[C@@H]1O)c1cccnc1-c1nnn[n-]1 ZINC001593445690 1016890232 /nfs/dbraw/zinc/89/02/32/1016890232.db2.gz APHJRUHNQMLDSC-YUMQZZPRSA-N -1 0 310.339 -0.547 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1CCNC(=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001418712860 1004589501 /nfs/dbraw/zinc/58/95/01/1004589501.db2.gz MHQSIGUVSQODIA-SNVBAGLBSA-N -1 0 324.385 -0.635 20 0 DBADRM O=S(=O)(N[C@H]1C[C@H](CO)C1)c1cccnc1-c1nnn[n-]1 ZINC001593446176 1016890399 /nfs/dbraw/zinc/89/03/99/1016890399.db2.gz WSFARTIVHKQKRE-ZKCHVHJHSA-N -1 0 310.339 -0.689 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1CC2(C1)CCOC2 ZINC001593452462 1016890867 /nfs/dbraw/zinc/89/08/67/1016890867.db2.gz UEXZXSRUPAUERE-UHFFFAOYSA-N -1 0 311.323 -0.129 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@]1(C)C=CCC1 ZINC001496327386 1016890966 /nfs/dbraw/zinc/89/09/66/1016890966.db2.gz FDWKNRMHTUERJB-CQSZACIVSA-N -1 0 321.337 -0.173 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001593458962 1016891552 /nfs/dbraw/zinc/89/15/52/1016891552.db2.gz LPXFPQMKKOPHKZ-AXFHLTTASA-N -1 0 309.384 -0.365 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1CCC[C@H](O)CC1 ZINC001593457988 1016891812 /nfs/dbraw/zinc/89/18/12/1016891812.db2.gz WRSURQIJPKFIJZ-VIFPVBQESA-N -1 0 324.366 -0.203 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)Nc1nccc(Br)c1[O-] ZINC001418744913 1004609276 /nfs/dbraw/zinc/60/92/76/1004609276.db2.gz FSGLFXJMRNAWTP-RXMQYKEDSA-N -1 0 319.115 -0.483 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1CC=C[C@H]1CO ZINC001593456577 1016891996 /nfs/dbraw/zinc/89/19/96/1016891996.db2.gz ARTBNGAYIPOROC-QMMMGPOBSA-N -1 0 308.323 -0.817 20 0 DBADRM C[C@H](O)CN1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001593463438 1016893005 /nfs/dbraw/zinc/89/30/05/1016893005.db2.gz UOAMJSMSEHLGEK-JTQLQIEISA-N -1 0 306.384 -0.821 20 0 DBADRM C[C@@H](O)CN1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001593463439 1016893792 /nfs/dbraw/zinc/89/37/92/1016893792.db2.gz UOAMJSMSEHLGEK-SNVBAGLBSA-N -1 0 306.384 -0.821 20 0 DBADRM C[C@@H](O)c1cn(C2CN(S(=O)(=O)CCCC(=O)[O-])C2)nn1 ZINC001593477563 1016895674 /nfs/dbraw/zinc/89/56/74/1016895674.db2.gz WPIGDYBSMMYYGU-MRVPVSSYSA-N -1 0 318.355 -0.617 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@]2(C(=O)[O-])CCSC2)nn1 ZINC001593477568 1016896609 /nfs/dbraw/zinc/89/66/09/1016896609.db2.gz WTOAAXMEFHKEFB-WRWORJQWSA-N -1 0 300.340 -0.592 20 0 DBADRM C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001593470989 1016896678 /nfs/dbraw/zinc/89/66/78/1016896678.db2.gz DBGNARFFHFQFAG-YTWAJWBKSA-N -1 0 314.338 -0.941 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)O[C@@H](C)C(=O)C(=O)[O-] ZINC001593491212 1016897131 /nfs/dbraw/zinc/89/71/31/1016897131.db2.gz LMCQXKPIVSOIKJ-BIIVOSGPSA-N -1 0 303.311 -0.517 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCC[C@H]2CN(C)CC(N)=O)c1[O-] ZINC001418831222 1004681953 /nfs/dbraw/zinc/68/19/53/1004681953.db2.gz QCZVWLKWASIWLN-JTQLQIEISA-N -1 0 309.370 -0.164 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1Cc1cn2cccnc2n1 ZINC001593489461 1016897641 /nfs/dbraw/zinc/89/76/41/1016897641.db2.gz OOVHJOPYWRAKAF-UHFFFAOYSA-N -1 0 311.265 -0.780 20 0 DBADRM O[C@@H](COc1ccc(F)nc1-c1nnn[n-]1)CN1CCOCC1 ZINC001593508775 1016899516 /nfs/dbraw/zinc/89/95/16/1016899516.db2.gz YPAXVADDYQJWLZ-SECBINFHSA-N -1 0 324.316 -0.527 20 0 DBADRM CO[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)[C@](C)(CO)C1 ZINC001418919520 1004715520 /nfs/dbraw/zinc/71/55/20/1004715520.db2.gz BZYUYAGZZNGNJE-CPCISQLKSA-N -1 0 302.356 -0.399 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)C(=O)[O-] ZINC001593499120 1016901335 /nfs/dbraw/zinc/90/13/35/1016901335.db2.gz IMYXSLXYBIDPGQ-YUMQZZPRSA-N -1 0 304.320 -0.213 20 0 DBADRM C[C@@H](OC(=O)C1(CO)COC1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593497010 1016901687 /nfs/dbraw/zinc/90/16/87/1016901687.db2.gz SZVAOTUYIWGVMC-SECBINFHSA-N -1 0 315.322 -0.750 20 0 DBADRM C[C@H](C(N)=O)N1CC(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC001419001960 1004756650 /nfs/dbraw/zinc/75/66/50/1004756650.db2.gz AYKABRCXMBZLCZ-ZCFIWIBFSA-N -1 0 324.303 -0.882 20 0 DBADRM C[C@@H](OC(=O)C[C@@H]1NC(=O)c2ccccc21)C(=O)NCC(=O)[O-] ZINC001593513237 1016904412 /nfs/dbraw/zinc/90/44/12/1016904412.db2.gz AKNWCKIEUDOKFN-KCJUWKMLSA-N -1 0 320.301 -0.006 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001419045262 1004782514 /nfs/dbraw/zinc/78/25/14/1004782514.db2.gz YUKXBCRIPLNZOD-IINYFYTJSA-N -1 0 318.337 -0.872 20 0 DBADRM CC(C)C[C@@H](C(N)=O)N(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001419059314 1004790758 /nfs/dbraw/zinc/79/07/58/1004790758.db2.gz UBBNEWDHLLWLPR-JTQLQIEISA-N -1 0 305.338 -0.005 20 0 DBADRM CC(=O)NCC(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001419067348 1004798087 /nfs/dbraw/zinc/79/80/87/1004798087.db2.gz IMZWCFFZJWGJAZ-UHFFFAOYSA-N -1 0 310.358 -0.931 20 0 DBADRM COCC1(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001419105897 1004808033 /nfs/dbraw/zinc/80/80/33/1004808033.db2.gz ABFWKRBWPWSLSY-SNVBAGLBSA-N -1 0 309.370 -0.030 20 0 DBADRM C[C@@H](OC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(=O)C(=O)[O-] ZINC001593528049 1016908415 /nfs/dbraw/zinc/90/84/15/1016908415.db2.gz QLSHHGRSSXXIJX-HLTSFMKQSA-N -1 0 309.274 -0.477 20 0 DBADRM CC[C@@H](F)C(=O)NCCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001496405643 1016908584 /nfs/dbraw/zinc/90/85/84/1016908584.db2.gz VDGPAKIWOPRJFU-SNVBAGLBSA-N -1 0 323.328 -0.041 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@@H]1Cc2cnccc2NC1=O ZINC001419162432 1004824533 /nfs/dbraw/zinc/82/45/33/1004824533.db2.gz WQTVNPFNYWNJSL-SNVBAGLBSA-N -1 0 301.310 -0.403 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NCc1nnnn1C ZINC001419173527 1004826941 /nfs/dbraw/zinc/82/69/41/1004826941.db2.gz SNPYLUFMRVGTMJ-QMMMGPOBSA-N -1 0 308.346 -0.755 20 0 DBADRM C[C@H](OC(=O)CNS(=O)(=O)c1cccs1)C(=O)C(=O)[O-] ZINC001593534101 1016911839 /nfs/dbraw/zinc/91/18/39/1016911839.db2.gz OVXFSJWLKPHLAQ-LURJTMIESA-N -1 0 321.332 -0.388 20 0 DBADRM C[C@H](OC(=O)COCC(=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1 ZINC001593533847 1016913232 /nfs/dbraw/zinc/91/32/32/1016913232.db2.gz HQWSEKDEBKEOGR-QMMMGPOBSA-N -1 0 324.289 -0.243 20 0 DBADRM C[C@H](OC(=O)COc1ccc(C(N)=O)cc1)C(=O)NCC(=O)[O-] ZINC001593533940 1016913266 /nfs/dbraw/zinc/91/32/66/1016913266.db2.gz KOLZNRUEURQXDJ-QMMMGPOBSA-N -1 0 324.289 -0.703 20 0 DBADRM C[C@@H](OC(=O)CN1CCCS1(=O)=O)C(=O)C(C)(C)C(=O)[O-] ZINC001593534379 1016914294 /nfs/dbraw/zinc/91/42/94/1016914294.db2.gz WZGJHDBZUYHFMO-MRVPVSSYSA-N -1 0 321.351 -0.367 20 0 DBADRM C[C@H](OC(=O)CNc1ccc(C(N)=O)cc1)C(=O)NCC(=O)[O-] ZINC001593534434 1016915432 /nfs/dbraw/zinc/91/54/32/1016915432.db2.gz ZCCZLSGXOFTGHY-QMMMGPOBSA-N -1 0 323.305 -0.670 20 0 DBADRM C[C@@H](OC(=O)CNc1ccc(C(N)=O)cc1)C(=O)NCC(=O)[O-] ZINC001593534433 1016915441 /nfs/dbraw/zinc/91/54/41/1016915441.db2.gz ZCCZLSGXOFTGHY-MRVPVSSYSA-N -1 0 323.305 -0.670 20 0 DBADRM CS(=O)(=O)c1ccc(CNC(=O)CCc2nnn[n-]2)cn1 ZINC001419490143 1004887178 /nfs/dbraw/zinc/88/71/78/1004887178.db2.gz SSGSVFBSSMVCNA-UHFFFAOYSA-N -1 0 310.339 -0.753 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12)c1nnn[n-]1 ZINC001419553966 1004898617 /nfs/dbraw/zinc/89/86/17/1004898617.db2.gz NOXWPEPVKZJHBO-ZNSHCXBVSA-N -1 0 322.369 -0.302 20 0 DBADRM COC[C@@H](NC(=O)c1cc2c(cc1O)OCO2)c1nnn[n-]1 ZINC001419558417 1004900634 /nfs/dbraw/zinc/90/06/34/1004900634.db2.gz VVZYWZYUDUWHHZ-SSDOTTSWSA-N -1 0 307.266 -0.249 20 0 DBADRM O=C(CCC(F)F)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001419564332 1004901965 /nfs/dbraw/zinc/90/19/65/1004901965.db2.gz DZXIEIDRFSTASF-MRVPVSSYSA-N -1 0 319.312 -0.127 20 0 DBADRM O[C@@H]1CCN(c2nc(-c3nnn[n-]3)c(Cl)s2)C[C@@H]1O ZINC001593538054 1016918690 /nfs/dbraw/zinc/91/86/90/1016918690.db2.gz QPYVEQOUQFJDEH-UHNVWZDZSA-N -1 0 302.747 -0.092 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001419595150 1004913582 /nfs/dbraw/zinc/91/35/82/1004913582.db2.gz OFAOUROZLXJGIR-JTQLQIEISA-N -1 0 315.399 -0.194 20 0 DBADRM C[C@H](OC(=O)c1cc2n(n1)CCO2)c1cn(CC(=O)[O-])nn1 ZINC001593573240 1016924863 /nfs/dbraw/zinc/92/48/63/1016924863.db2.gz QRSJCRFITHYDRR-ZETCQYMHSA-N -1 0 307.266 -0.130 20 0 DBADRM C[C@H](OC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C(=O)C(=O)[O-] ZINC001593579097 1016925425 /nfs/dbraw/zinc/92/54/25/1016925425.db2.gz SPUFZVKFAYPQIR-YFKPBYRVSA-N -1 0 319.266 -0.328 20 0 DBADRM C[C@@H](OC(=O)c1c[nH]cc(Cl)c1=O)C(=O)NCC(=O)[O-] ZINC001593596958 1016928263 /nfs/dbraw/zinc/92/82/63/1016928263.db2.gz OUFNIVIBQTZOFD-RXMQYKEDSA-N -1 0 302.670 -0.226 20 0 DBADRM C[C@@H](OC[C@H]1CCCCO1)C(=O)NCC(=O)NCC(=O)[O-] ZINC001593605868 1016929310 /nfs/dbraw/zinc/92/93/10/1016929310.db2.gz BTCNOTGUTOBJJA-NXEZZACHSA-N -1 0 302.327 -0.722 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Cc1cnn(C)c1 ZINC001419987663 1005041689 /nfs/dbraw/zinc/04/16/89/1005041689.db2.gz OKZVURIKIMJKNL-UHFFFAOYSA-N -1 0 321.341 -0.780 20 0 DBADRM C[C@@H](OCCc1ccccc1)C(=O)NCC(=O)NCC(=O)[O-] ZINC001593608769 1016932448 /nfs/dbraw/zinc/93/24/48/1016932448.db2.gz RPVSXJKFQSCTCR-LLVKDONJSA-N -1 0 308.334 -0.049 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001593606044 1016933416 /nfs/dbraw/zinc/93/34/16/1016933416.db2.gz HUFFYUHRUCHFHX-YFKTTZPYSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001593685330 1016933627 /nfs/dbraw/zinc/93/36/27/1016933627.db2.gz QVBSDCJQJDREIY-GJMOJQLCSA-N -1 0 300.340 -0.346 20 0 DBADRM C[C@@H](S[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC001593659398 1016933663 /nfs/dbraw/zinc/93/36/63/1016933663.db2.gz SJVVCEZEUVQNJL-PHDIDXHHSA-N -1 0 315.351 -0.556 20 0 DBADRM CC1(C(=O)N2CC(CCO)(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001593745555 1016934462 /nfs/dbraw/zinc/93/44/62/1016934462.db2.gz SGVSUXVSYPQYAM-NXEZZACHSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C(N[C@@H]1CC12CC(O)C2)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001420092229 1005079087 /nfs/dbraw/zinc/07/90/87/1005079087.db2.gz KGEBKYVNBMQBPJ-LOIXOFCESA-N -1 0 316.317 -0.091 20 0 DBADRM C[C@]1(C(=O)NC[C@@H](CO)Nc2ccnc(C(=O)[O-])n2)C=CCC1 ZINC001593748764 1016935930 /nfs/dbraw/zinc/93/59/30/1016935930.db2.gz BKPTZHRZYXGHPN-BONVTDFDSA-N -1 0 320.349 -0.158 20 0 DBADRM C[C@@]1(C(N)=O)CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC001593815198 1016941515 /nfs/dbraw/zinc/94/15/15/1016941515.db2.gz HMAOCOAEBULKCT-GFCCVEGCSA-N -1 0 313.335 -0.334 20 0 DBADRM C[C@@]1(C(=O)NC[C@@H](O)CNc2ccnc(C(=O)[O-])n2)C=CCC1 ZINC001593749842 1016937658 /nfs/dbraw/zinc/93/76/58/1016937658.db2.gz TYMWEYBSOADLBQ-ZUZCIYMTSA-N -1 0 320.349 -0.158 20 0 DBADRM C[C@@]1(C(=O)NC[C@H](O)CNc2ccnc(C(=O)[O-])n2)C=CCC1 ZINC001593749841 1016938044 /nfs/dbraw/zinc/93/80/44/1016938044.db2.gz TYMWEYBSOADLBQ-MEBBXXQBSA-N -1 0 320.349 -0.158 20 0 DBADRM C[C@@]1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CCCO1 ZINC001593756121 1016938202 /nfs/dbraw/zinc/93/82/02/1016938202.db2.gz CISZYSAZTBEPGV-KPXOXKRLSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C3CC3)CC2)C1 ZINC001593783554 1016940137 /nfs/dbraw/zinc/94/01/37/1016940137.db2.gz OFHKLCPAJYWGGZ-OAHLLOKOSA-N -1 0 309.366 -0.384 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[C@H]2CCO[C@@H]21 ZINC001593832830 1016941853 /nfs/dbraw/zinc/94/18/53/1016941853.db2.gz KGJUHBHRCIVKKX-QGKZMRNZSA-N -1 0 310.350 -0.105 20 0 DBADRM CC1(C)[C@@H](CNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C1(F)F ZINC001593831161 1016942084 /nfs/dbraw/zinc/94/20/84/1016942084.db2.gz SPTUAHAPDGJFOZ-ZCFIWIBFSA-N -1 0 306.265 -0.948 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001593823165 1016942104 /nfs/dbraw/zinc/94/21/04/1016942104.db2.gz ZQFAYUMFCMGYFB-UHFFFAOYSA-N -1 0 320.305 -0.274 20 0 DBADRM CC1(C)CNC(=O)[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001593949541 1016944198 /nfs/dbraw/zinc/94/41/98/1016944198.db2.gz WLMPOGNDGATUMS-MRVPVSSYSA-N -1 0 302.308 -0.219 20 0 DBADRM CC1(C)C[S@](=O)CCN1CCc1cn(CC(=O)[O-])nn1 ZINC001593960532 1016944403 /nfs/dbraw/zinc/94/44/03/1016944403.db2.gz BWOLYSRRUAFJHB-HXUWFJFHSA-N -1 0 300.384 -0.252 20 0 DBADRM CC1(C)COC(=O)[C@@H]1OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001593952481 1016944846 /nfs/dbraw/zinc/94/48/46/1016944846.db2.gz AZBLZNRXGPPCAO-SCZZXKLOSA-N -1 0 313.306 -0.196 20 0 DBADRM CC1(C)COC(=O)[C@H]1NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001593952626 1016944862 /nfs/dbraw/zinc/94/48/62/1016944862.db2.gz DYLDVMYEJCQJOT-SNVBAGLBSA-N -1 0 308.290 -0.386 20 0 DBADRM C[C@]1(C2CC2)CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCO1 ZINC001593991559 1016946170 /nfs/dbraw/zinc/94/61/70/1016946170.db2.gz JULZNQVVKUFSJP-XDMRBOTDSA-N -1 0 310.350 -0.007 20 0 DBADRM CC1([C@H]2CCCN(C(=O)Cn3cc(C(=O)[O-])nn3)C2)OCCO1 ZINC001593992321 1016947010 /nfs/dbraw/zinc/94/70/10/1016947010.db2.gz HMNOLMDOBNJFDY-JTQLQIEISA-N -1 0 324.337 -0.022 20 0 DBADRM C[C@]1(CC(=O)Nc2c[nH]nc2C(=O)[O-])CCS(=O)(=O)N1 ZINC001593998335 1016947064 /nfs/dbraw/zinc/94/70/64/1016947064.db2.gz WZIYPDDJSIIGQL-SNVBAGLBSA-N -1 0 302.312 -0.482 20 0 DBADRM C[C@]1(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCS(=O)(=O)N1 ZINC001593995944 1016947206 /nfs/dbraw/zinc/94/72/06/1016947206.db2.gz BLSZBYPXHRUJIU-JOYOIKCWSA-N -1 0 320.367 -0.840 20 0 DBADRM C[C@]1(CCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])CCC(=O)N1 ZINC001593999691 1016947225 /nfs/dbraw/zinc/94/72/25/1016947225.db2.gz QGFBAGCEHMIMPD-LKFCYVNXSA-N -1 0 311.338 -0.763 20 0 DBADRM C[C@]1(CC(=O)N2CCC[C@@H]2CC(=O)[O-])CCS(=O)(=O)N1 ZINC001593996159 1016947535 /nfs/dbraw/zinc/94/75/35/1016947535.db2.gz JRMKKKXLSLGUCG-BXKDBHETSA-N -1 0 304.368 -0.076 20 0 DBADRM C[C@]1(CCCC(=O)N2CCOC[C@@H]2C(=O)[O-])NC(=O)NC1=O ZINC001594000835 1016947808 /nfs/dbraw/zinc/94/78/08/1016947808.db2.gz IAPVTDASYGSOPF-AMIZOPFISA-N -1 0 313.310 -0.933 20 0 DBADRM CN(CCNC(=O)c1ccnc(N(C)C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001420317454 1005208938 /nfs/dbraw/zinc/20/89/38/1005208938.db2.gz WWBMOTLEBZZOBB-UHFFFAOYSA-N -1 0 319.369 -0.167 20 0 DBADRM C[C@]12CN(C(=O)C34CC(C(=O)[O-])(C3)C4)C[C@]1(C)C(=O)NC2=O ZINC001594088765 1016955268 /nfs/dbraw/zinc/95/52/68/1016955268.db2.gz SGYYGKBQZBGBPG-LMRVLLHPSA-N -1 0 306.318 -0.248 20 0 DBADRM C[C@@]1(c2cnccn2)NC(=O)N(CC(=O)C2(C(=O)[O-])CC2)C1=O ZINC001594080918 1016955293 /nfs/dbraw/zinc/95/52/93/1016955293.db2.gz GSVULZSRAOHDGV-ZDUSSCGKSA-N -1 0 318.289 -0.323 20 0 DBADRM C[C@@]1(CO)CCCN1C(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001594031161 1016949886 /nfs/dbraw/zinc/94/98/86/1016949886.db2.gz ZEFJMSFYQNIMIV-ABAIWWIYSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@@]1(CCNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C[C@]1(F)Cl ZINC001594007155 1016950144 /nfs/dbraw/zinc/95/01/44/1016950144.db2.gz VOYGPMZAGJQBJI-ZYHUDNBSSA-N -1 0 322.720 -0.535 20 0 DBADRM COCCN(CCC(=O)OC)C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001594011561 1016950526 /nfs/dbraw/zinc/95/05/26/1016950526.db2.gz QETYMSWSBCXRPE-VIFPVBQESA-N -1 0 302.283 -0.746 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1ccnn1COC ZINC001594011591 1016950857 /nfs/dbraw/zinc/95/08/57/1016950857.db2.gz SZBGDBUKHHAYPG-UHFFFAOYSA-N -1 0 321.355 -0.401 20 0 DBADRM C[C@]1(Cn2nnnc2N2CCO[C@H](C(=O)[O-])C2)CCCCO1 ZINC001594044878 1016952643 /nfs/dbraw/zinc/95/26/43/1016952643.db2.gz HBCUBOGQDZGBRO-GXFFZTMASA-N -1 0 311.342 -0.078 20 0 DBADRM C[C@]1(NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CCOC1=O ZINC001594051882 1016952882 /nfs/dbraw/zinc/95/28/82/1016952882.db2.gz DRSYEHVSDLCDAR-QWHCGFSZSA-N -1 0 311.294 -0.293 20 0 DBADRM CC1(CS(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])CCOCC1 ZINC001594037266 1016952901 /nfs/dbraw/zinc/95/29/01/1016952901.db2.gz NUMAANKZUDTCOW-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@@]1(CS(=O)(=O)N[C@@H](CO)C(=O)[O-])CC1(Cl)Cl ZINC001594039040 1016952920 /nfs/dbraw/zinc/95/29/20/1016952920.db2.gz IDERTMZYRFFLAM-FSPLSTOPSA-N -1 0 306.167 -0.065 20 0 DBADRM CCN(CCNC(=O)C[C@@H]1CCC(=O)NC1)Cc1n[nH]c(=O)[n-]1 ZINC001420402976 1005248883 /nfs/dbraw/zinc/24/88/83/1005248883.db2.gz ZXXCICXJPFGXSZ-JTQLQIEISA-N -1 0 324.385 -0.635 20 0 DBADRM C[C@]1(NC(=O)c2nnc[n-]2)CCN(c2cc[nH+]c(C(=O)[O-])n2)C1 ZINC001594055341 1016953517 /nfs/dbraw/zinc/95/35/17/1016953517.db2.gz AAMOEIWSEGBSOI-ZDUSSCGKSA-N -1 0 317.309 -0.308 20 0 DBADRM C[C@@]1(NS(=O)(=O)C2CCC(C(=O)[O-])CC2)CCNC1=O ZINC001594061971 1016953838 /nfs/dbraw/zinc/95/38/38/1016953838.db2.gz QYTXUQJZEOZSTQ-SHVIVCPWSA-N -1 0 304.368 -0.172 20 0 DBADRM C[C@H](NC(=O)CNC(=O)c1ncccc1O)c1nn(C)cc1[O-] ZINC001420437826 1005260106 /nfs/dbraw/zinc/26/01/06/1005260106.db2.gz JHGXOGCGCVPGHJ-QMMMGPOBSA-N -1 0 319.321 -0.167 20 0 DBADRM C[C@@H](NC(=O)CN1CCCCS1(=O)=O)c1nn(C)cc1[O-] ZINC001420442405 1005262024 /nfs/dbraw/zinc/26/20/24/1005262024.db2.gz UYIWGMAFUDWQPM-SECBINFHSA-N -1 0 316.383 -0.272 20 0 DBADRM O=C(Cc1ccon1)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001420483083 1005276854 /nfs/dbraw/zinc/27/68/54/1005276854.db2.gz ZYTGUWVHDNNIRK-JTQLQIEISA-N -1 0 306.326 -0.178 20 0 DBADRM COC(=O)[C@@](C)(Cn1cccn1)NC(=O)CCCc1nnn[n-]1 ZINC001420488544 1005278619 /nfs/dbraw/zinc/27/86/19/1005278619.db2.gz KGDWGIQKDWHDKY-CYBMUJFWSA-N -1 0 321.341 -0.533 20 0 DBADRM CC1=C(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)Cn2nnnc2N1C ZINC001594092415 1016958814 /nfs/dbraw/zinc/95/88/14/1016958814.db2.gz QJYKSVTXPLTTAW-CYBMUJFWSA-N -1 0 306.326 -0.234 20 0 DBADRM CC1=C(C(=O)N[C@@H](CC(=O)[O-])C2CC2)Cn2nnnc2N1C ZINC001594092370 1016958829 /nfs/dbraw/zinc/95/88/29/1016958829.db2.gz OBQIRIAHZBUYIX-JTQLQIEISA-N -1 0 306.326 -0.234 20 0 DBADRM O=C(C[C@@H]1CCOC1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001420515322 1005288420 /nfs/dbraw/zinc/28/84/20/1005288420.db2.gz IJUFFHHPOCQZSD-WDEREUQCSA-N -1 0 309.370 -0.125 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001594120487 1016959657 /nfs/dbraw/zinc/95/96/57/1016959657.db2.gz LLXDQWQVMNPRRE-DTWKUNHWSA-N -1 0 315.351 -0.157 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC001594120535 1016959860 /nfs/dbraw/zinc/95/98/60/1016959860.db2.gz NUOHJPOTTLLHRS-JTQLQIEISA-N -1 0 315.351 -0.109 20 0 DBADRM O=C(CCc1cn[nH]c1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001420546202 1005299544 /nfs/dbraw/zinc/29/95/44/1005299544.db2.gz WKFPFRKBOKSLRG-NSHDSACASA-N -1 0 319.369 -0.196 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N(C)CCn1cccn1 ZINC001594136699 1016960497 /nfs/dbraw/zinc/96/04/97/1016960497.db2.gz ROAMCPGTCFBLKJ-MNOVXSKESA-N -1 0 308.338 -0.337 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001594129691 1016960612 /nfs/dbraw/zinc/96/06/12/1016960612.db2.gz IUOSGRFJIWAXGG-VIFPVBQESA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H]1C(=O)Nc2cc(C(=O)N[C@@H](CO)C(=O)[O-])ccc2N1C ZINC001594130320 1016960743 /nfs/dbraw/zinc/96/07/43/1016960743.db2.gz QLOPERPIMYQUCK-XVKPBYJWSA-N -1 0 307.306 -0.361 20 0 DBADRM C[C@H]1C(=O)Nc2cccc(C(=O)[O-])c2N1C(=O)Cn1cnnn1 ZINC001594132081 1016961184 /nfs/dbraw/zinc/96/11/84/1016961184.db2.gz BXBQPQXNHZBFSM-ZETCQYMHSA-N -1 0 316.277 -0.255 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCN1CCCC1=O ZINC001594137146 1016962710 /nfs/dbraw/zinc/96/27/10/1016962710.db2.gz BSJJXKHERYGVME-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1COCCO1)Cc1n[nH]c(=O)[n-]1 ZINC001420583249 1005312036 /nfs/dbraw/zinc/31/20/36/1005312036.db2.gz QLWJBKQCTTVISF-JTQLQIEISA-N -1 0 313.358 -0.746 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N(C)CCn1cccn1 ZINC001594136701 1016961814 /nfs/dbraw/zinc/96/18/14/1016961814.db2.gz ROAMCPGTCFBLKJ-WDEREUQCSA-N -1 0 308.338 -0.337 20 0 DBADRM C[C@H]1C(=O)N(NC(=O)Cc2ccc(C(=O)[O-])nc2)C(=O)N1C ZINC001594129075 1016961885 /nfs/dbraw/zinc/96/18/85/1016961885.db2.gz OIPTUGXUMAXEJF-ZETCQYMHSA-N -1 0 306.278 -0.364 20 0 DBADRM CCCN(CCNC(=O)c1cnnn1C)Cc1n[nH]c(=O)[n-]1 ZINC001420589522 1005314300 /nfs/dbraw/zinc/31/43/00/1005314300.db2.gz MQDLRPJVILLVHW-UHFFFAOYSA-N -1 0 308.346 -0.719 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001594128721 1016962451 /nfs/dbraw/zinc/96/24/51/1016962451.db2.gz LHXUUIBLAWTGAM-MRVPVSSYSA-N -1 0 305.290 -0.030 20 0 DBADRM CC12CC(C1)CN2C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001594084382 1016955657 /nfs/dbraw/zinc/95/56/57/1016955657.db2.gz FAJDPIBNKPDJHB-UHFFFAOYSA-N -1 0 311.338 -0.906 20 0 DBADRM C[C@@]12CN(C(=O)c3cc(C(=O)[O-])on3)C[C@@]1(C)C(=O)NC2=O ZINC001594088771 1016955711 /nfs/dbraw/zinc/95/57/11/1016955711.db2.gz SHFJUAXSNPGKHD-STQMWFEESA-N -1 0 307.262 -0.502 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001420627022 1005323275 /nfs/dbraw/zinc/32/32/75/1005323275.db2.gz XGEWBCXDYXPPKB-SDBXPKJASA-N -1 0 310.358 -0.885 20 0 DBADRM C[C@@]12COC[C@@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])C2 ZINC001594087124 1016955918 /nfs/dbraw/zinc/95/59/18/1016955918.db2.gz AKDAYAUNTMPZCN-IINYFYTJSA-N -1 0 313.354 -0.355 20 0 DBADRM C[C@@]1(OC(=O)Cn2cc(C(=O)[O-])cn2)CCS(=O)(=O)C1 ZINC001594068427 1016956068 /nfs/dbraw/zinc/95/60/68/1016956068.db2.gz NDOVADZNJSZPMM-LLVKDONJSA-N -1 0 302.308 -0.298 20 0 DBADRM C[C@]12COC[C@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])C2 ZINC001594087126 1016956589 /nfs/dbraw/zinc/95/65/89/1016956589.db2.gz AKDAYAUNTMPZCN-YGRLFVJLSA-N -1 0 313.354 -0.355 20 0 DBADRM CC1=C(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)Cn2nnnc2N1C ZINC001594091761 1016956842 /nfs/dbraw/zinc/95/68/42/1016956842.db2.gz ASQUUPJMQLYPQE-VIFPVBQESA-N -1 0 304.310 -0.314 20 0 DBADRM C[C@@]12COC[C@@H]1CN(C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C2 ZINC001594087539 1016956864 /nfs/dbraw/zinc/95/68/64/1016956864.db2.gz IHNZNRZTLNAQTF-DZHLUBAWSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@]1(NS(=O)(=O)c2occc2C(=O)[O-])CCS(=O)(=O)C1 ZINC001594065851 1016956873 /nfs/dbraw/zinc/95/68/73/1016956873.db2.gz HJQBJWPKXHYDOO-JTQLQIEISA-N -1 0 323.348 -0.167 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001594139777 1016964230 /nfs/dbraw/zinc/96/42/30/1016964230.db2.gz VSCNZLKMERTZOP-FBIMIBRVSA-N -1 0 320.349 -0.295 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCOCC(F)F ZINC001594138158 1016965914 /nfs/dbraw/zinc/96/59/14/1016965914.db2.gz HZPXQBMSQLDUPO-SFYZADRCSA-N -1 0 308.281 -0.294 20 0 DBADRM COc1coc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)cc1=O ZINC001594154944 1016966833 /nfs/dbraw/zinc/96/68/33/1016966833.db2.gz LBQSGOMGCAEWCE-NSHDSACASA-N -1 0 307.262 -0.062 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1nnc2n1CCNC2=O ZINC001594154072 1016967169 /nfs/dbraw/zinc/96/71/69/1016967169.db2.gz TXPVFIVLVRGRCP-HTQZYQBOSA-N -1 0 322.325 -0.974 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC001594147504 1016967303 /nfs/dbraw/zinc/96/73/03/1016967303.db2.gz PYWXJFSCMHDCNQ-MXWKQRLJSA-N -1 0 318.395 -0.573 20 0 DBADRM COc1ccnc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC001594150212 1016967557 /nfs/dbraw/zinc/96/75/57/1016967557.db2.gz CIMWDAADBNSMDC-NSHDSACASA-N -1 0 300.336 -0.226 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC001594144850 1016967598 /nfs/dbraw/zinc/96/75/98/1016967598.db2.gz GWJOLWDBGNXWMW-RDJHYZAGSA-N -1 0 321.333 -0.581 20 0 DBADRM COc1cnc(C(C)(C)NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)[nH]c1=O ZINC001594152827 1016967691 /nfs/dbraw/zinc/96/76/91/1016967691.db2.gz HCAKHBMMHZJOJB-ZETCQYMHSA-N -1 0 324.293 -0.228 20 0 DBADRM COc1cncc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)n1 ZINC001594155014 1016968938 /nfs/dbraw/zinc/96/89/38/1016968938.db2.gz NWPRWIRECUZSJO-DTWKUNHWSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1cnc(NC(=O)C(=O)N([C@H](C)C(=O)[O-])C2CC2)nc1 ZINC001594154516 1016969099 /nfs/dbraw/zinc/96/90/99/1016969099.db2.gz BHQHGDAYKOXUNW-SSDOTTSWSA-N -1 0 308.294 -0.112 20 0 DBADRM COc1cncc(N2CCN(C(=O)COCC(=O)[O-])CC2)c1 ZINC001594155405 1016969999 /nfs/dbraw/zinc/96/99/99/1016969999.db2.gz YRBQYGTYDGCRCF-UHFFFAOYSA-N -1 0 309.322 -0.160 20 0 DBADRM COc1nccc(NC(=O)C(=O)N([C@H](C)C(=O)[O-])C2CC2)n1 ZINC001594160385 1016970200 /nfs/dbraw/zinc/97/02/00/1016970200.db2.gz FHIGCIRXDIOKKV-SSDOTTSWSA-N -1 0 308.294 -0.112 20 0 DBADRM COc1cncc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC001594155207 1016970606 /nfs/dbraw/zinc/97/06/06/1016970606.db2.gz UPXAJOPQXJXASY-IUCAKERBSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1nccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001594160667 1016970775 /nfs/dbraw/zinc/97/07/75/1016970775.db2.gz VFXNQSRTRYTOFP-SECBINFHSA-N -1 0 301.324 -0.831 20 0 DBADRM COc1nn(C)cc1C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC001594161094 1016971001 /nfs/dbraw/zinc/97/10/01/1016971001.db2.gz JVAGXANZHDNLMM-MRVPVSSYSA-N -1 0 312.326 -0.520 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001594162010 1016971429 /nfs/dbraw/zinc/97/14/29/1016971429.db2.gz VSNBSGUNXYIECA-DTWKUNHWSA-N -1 0 324.337 -0.064 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001594163586 1016971607 /nfs/dbraw/zinc/97/16/07/1016971607.db2.gz FIVUNLKZNPUGKQ-CABZTGNLSA-N -1 0 305.352 -0.344 20 0 DBADRM COc1cnc(F)c(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001594155339 1016971669 /nfs/dbraw/zinc/97/16/69/1016971669.db2.gz WNAASLJZVXBTKX-GFCCVEGCSA-N -1 0 315.257 -0.880 20 0 DBADRM COc1ncc(/C=C/C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001594156965 1016971822 /nfs/dbraw/zinc/97/18/22/1016971822.db2.gz JFASYTYRLPGFLO-VMZHVLLKSA-N -1 0 321.289 -0.273 20 0 DBADRM CS(=O)(=O)CCCCCNC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001594164849 1016973044 /nfs/dbraw/zinc/97/30/44/1016973044.db2.gz ASWMHTKBCHAPKH-VIFPVBQESA-N -1 0 306.340 -0.453 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001594164404 1016973241 /nfs/dbraw/zinc/97/32/41/1016973241.db2.gz VKVHGRKIIORSLX-GHMZBOCLSA-N -1 0 318.395 -0.429 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)C1(C(=O)[O-])CCCCC1 ZINC001594164366 1016973569 /nfs/dbraw/zinc/97/35/69/1016973569.db2.gz UAXGEGFZSHAOGN-SECBINFHSA-N -1 0 307.368 -0.457 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001594164173 1016973863 /nfs/dbraw/zinc/97/38/63/1016973863.db2.gz MJLNOONVXSPDOP-UHFFFAOYSA-N -1 0 301.324 -0.243 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001594164623 1016974164 /nfs/dbraw/zinc/97/41/64/1016974164.db2.gz UUDNRTWADGSPCE-UHFFFAOYSA-N -1 0 319.379 -0.097 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@]2(C(=O)[O-])CCCO2)CCC1 ZINC001594163653 1016974338 /nfs/dbraw/zinc/97/43/38/1016974338.db2.gz ICDYXDCJHOAAIC-ZDUSSCGKSA-N -1 0 319.379 -0.049 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594169609 1016975542 /nfs/dbraw/zinc/97/55/42/1016975542.db2.gz YZVUWEGBNVTHCE-ZJUUUORDSA-N -1 0 322.383 -0.688 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001594170256 1016975652 /nfs/dbraw/zinc/97/56/52/1016975652.db2.gz JNIAAOSGPMXEQO-HBNTYKKESA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CON2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001594169876 1016975811 /nfs/dbraw/zinc/97/58/11/1016975811.db2.gz LFOWJNRVVHCNHK-BDAKNGLRSA-N -1 0 306.340 -0.867 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CON2C[C@H](C(=O)[O-])CC2=O)C1 ZINC001594169878 1016975887 /nfs/dbraw/zinc/97/58/87/1016975887.db2.gz LFOWJNRVVHCNHK-DTWKUNHWSA-N -1 0 306.340 -0.867 20 0 DBADRM CS(=O)(=O)Cc1ccccc1OCC(=O)NCC(=O)[O-] ZINC001594168764 1016976013 /nfs/dbraw/zinc/97/60/13/1016976013.db2.gz ZUXLXCDZAARNMK-UHFFFAOYSA-N -1 0 301.320 -0.189 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594168523 1016977125 /nfs/dbraw/zinc/97/71/25/1016977125.db2.gz OCMKYKUGQWUFFL-KYZUINATSA-N -1 0 308.356 -0.790 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594168561 1016977184 /nfs/dbraw/zinc/97/71/84/1016977184.db2.gz PUYPLNNMKYDNHQ-ZJUUUORDSA-N -1 0 322.383 -0.400 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1 ZINC001594170568 1016978202 /nfs/dbraw/zinc/97/82/02/1016978202.db2.gz QFUZQHHPUMHIMR-ZETCQYMHSA-N -1 0 316.339 -0.738 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)C1 ZINC001594171539 1016978257 /nfs/dbraw/zinc/97/82/57/1016978257.db2.gz PHDXSSKWFOAORT-MMWGEVLESA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1nnnn1CCO[C@H]1CCOC1 ZINC001594175039 1016979331 /nfs/dbraw/zinc/97/93/31/1016979331.db2.gz VALWIUZUCWLETB-VWYCJHECSA-N -1 0 311.342 -0.222 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1c1nnnn1CCCN1CCOCC1 ZINC001594175490 1016979394 /nfs/dbraw/zinc/97/93/94/1016979394.db2.gz YCMPARPMNZKKIH-NWDGAFQWSA-N -1 0 324.385 -0.305 20 0 DBADRM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)CCCCC(=O)[O-] ZINC001594171082 1016979674 /nfs/dbraw/zinc/97/96/74/1016979674.db2.gz ZDDWGXXTVKCXRY-SNVBAGLBSA-N -1 0 322.383 -0.592 20 0 DBADRM CS(=O)(=O)c1ccc(C=CC(=O)OCC(=O)C(=O)[O-])o1 ZINC001594174839 1016979971 /nfs/dbraw/zinc/97/99/71/1016979971.db2.gz SEOQNYMWJBNYIY-DUXPYHPUSA-N -1 0 302.260 -0.107 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001594171012 1016980204 /nfs/dbraw/zinc/98/02/04/1016980204.db2.gz YAUITWGRKWDNSR-UHFFFAOYSA-N -1 0 312.347 -0.313 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)NCCCCC(=O)[O-] ZINC001594179706 1016980922 /nfs/dbraw/zinc/98/09/22/1016980922.db2.gz ONRBTFFQGHRWJU-QONUSYMYSA-N -1 0 318.395 -0.275 20 0 DBADRM C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594188420 1016981285 /nfs/dbraw/zinc/98/12/85/1016981285.db2.gz RBHXHEMQNXHVDD-WYUUTHIRSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H](O)C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC001594208589 1016985293 /nfs/dbraw/zinc/98/52/93/1016985293.db2.gz BUFGTUDBDNHHLW-YUSALJHKSA-N -1 0 306.318 -0.090 20 0 DBADRM CSC[C@H](C)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001594185630 1016982210 /nfs/dbraw/zinc/98/22/10/1016982210.db2.gz OHHVXBZYZXIPFE-ZETCQYMHSA-N -1 0 300.340 -0.226 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CO)[C@@H]2C)C[C@H]1C(=O)[O-] ZINC001594188920 1016982261 /nfs/dbraw/zinc/98/22/61/1016982261.db2.gz XYRFFKNEODOFRA-WRWGMCAJSA-N -1 0 312.366 -0.215 20 0 DBADRM C[S@](=O)c1ccc(CNC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC001594179015 1016982411 /nfs/dbraw/zinc/98/24/11/1016982411.db2.gz UELOLRBPXJXPEN-NRFANRHFSA-N -1 0 312.347 -0.369 20 0 DBADRM CSCC[C@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)C(N)=O ZINC001594185983 1016982762 /nfs/dbraw/zinc/98/27/62/1016982762.db2.gz AZCURFNMFCIXAK-AEJSXWLSSA-N -1 0 318.395 -0.021 20 0 DBADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)NCCCCC(=O)[O-] ZINC001594179704 1016982885 /nfs/dbraw/zinc/98/28/85/1016982885.db2.gz ONRBTFFQGHRWJU-QDXVKYEASA-N -1 0 318.395 -0.275 20 0 DBADRM C[C@@H]1CC(=O)CCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001594198927 1016984024 /nfs/dbraw/zinc/98/40/24/1016984024.db2.gz SDYYJCSPGLDMND-MRVPVSSYSA-N -1 0 301.324 -0.290 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C(=O)N(C)C ZINC001594199950 1016984251 /nfs/dbraw/zinc/98/42/51/1016984251.db2.gz ZJHAGXQTHVTCGB-SSDOTTSWSA-N -1 0 308.294 -0.689 20 0 DBADRM C[C@H]1CC(=O)NCCN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594198299 1016984776 /nfs/dbraw/zinc/98/47/76/1016984776.db2.gz GQVDNRFLLIFPPB-VIFPVBQESA-N -1 0 306.322 -0.071 20 0 DBADRM C[C@H]1CC(=O)CCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001594198928 1016985400 /nfs/dbraw/zinc/98/54/00/1016985400.db2.gz SDYYJCSPGLDMND-QMMMGPOBSA-N -1 0 301.324 -0.290 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC001594227766 1016986772 /nfs/dbraw/zinc/98/67/72/1016986772.db2.gz LFOPBJUUDZYGOI-PELKAZGASA-N -1 0 315.351 -0.023 20 0 DBADRM C[C@@H]1COCCN1Cc1cn([C@H]2CCN(CC(=O)[O-])C2=O)nn1 ZINC001594220884 1016986926 /nfs/dbraw/zinc/98/69/26/1016986926.db2.gz CJWAFVSYEIQCRQ-PWSUYJOCSA-N -1 0 323.353 -0.643 20 0 DBADRM C[C@@]1(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CCC(=O)N1 ZINC001594231231 1016987074 /nfs/dbraw/zinc/98/70/74/1016987074.db2.gz LTRUINULRSVOGZ-XPTSAGLGSA-N -1 0 311.338 -0.763 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C[C@@H](C)C1=O ZINC001594221394 1016987171 /nfs/dbraw/zinc/98/71/71/1016987171.db2.gz ZYIDELSQDNOYOL-BBBLOLIVSA-N -1 0 304.368 -0.063 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001594219242 1016987394 /nfs/dbraw/zinc/98/73/94/1016987394.db2.gz IWEYBKQDKXIEBU-OPRDCNLKSA-N -1 0 304.368 -0.773 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC001594220330 1016987806 /nfs/dbraw/zinc/98/78/06/1016987806.db2.gz CPQDKGRFGBRNQX-HTQZYQBOSA-N -1 0 321.337 -0.602 20 0 DBADRM C[C@@H]1COCCN1Cc1cn([C@@H]2CCN(CC(=O)[O-])C2=O)nn1 ZINC001594220885 1016987819 /nfs/dbraw/zinc/98/78/19/1016987819.db2.gz CJWAFVSYEIQCRQ-ZYHUDNBSSA-N -1 0 323.353 -0.643 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CN1CCS(=O)(=O)CC1 ZINC001594217909 1016987953 /nfs/dbraw/zinc/98/79/53/1016987953.db2.gz STHMSVCDJIDRGI-NXEZZACHSA-N -1 0 304.368 -0.819 20 0 DBADRM C[C@@H]1C[C@H](C)CN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1 ZINC001594221603 1016988446 /nfs/dbraw/zinc/98/84/46/1016988446.db2.gz QVHGMGQSSMXPQD-KXNHARMFSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])n[nH]2)CCN1S(C)(=O)=O ZINC001594221500 1016988469 /nfs/dbraw/zinc/98/84/69/1016988469.db2.gz AEVQFTJNNNQLPD-SSDOTTSWSA-N -1 0 316.339 -0.786 20 0 DBADRM C[C@@H]1C[C@H](C)[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])O1 ZINC001594217131 1016988537 /nfs/dbraw/zinc/98/85/37/1016988537.db2.gz OXPPZGKUQPPRTH-QCLAVDOMSA-N -1 0 305.352 -0.490 20 0 DBADRM C[C@@]12CN(C(=O)[C@@]3(C(=O)[O-])CCCO3)C[C@@H]1CS(=O)(=O)C2 ZINC001594231771 1016989062 /nfs/dbraw/zinc/98/90/62/1016989062.db2.gz YHOCSHUPXCDRJL-JIMOISOXSA-N -1 0 317.363 -0.487 20 0 DBADRM C[C@@H]1C[C@@H](CO)CN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001594243771 1016989672 /nfs/dbraw/zinc/98/96/72/1016989672.db2.gz PTJNJRNLJLQFMQ-GHMZBOCLSA-N -1 0 315.370 -0.373 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@H](C)O1 ZINC001594245277 1016989689 /nfs/dbraw/zinc/98/96/89/1016989689.db2.gz JCVCEYLRKXRPCZ-DTORHVGOSA-N -1 0 310.310 -0.458 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1)C(=O)[O-] ZINC001594233282 1016990461 /nfs/dbraw/zinc/99/04/61/1016990461.db2.gz VWRFFVZWMRXUGH-WRWORJQWSA-N -1 0 321.289 -0.561 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(CCC(N)=O)cc1)C(=O)[O-] ZINC001594233237 1016990726 /nfs/dbraw/zinc/99/07/26/1016990726.db2.gz QBYJRMHRYBCQEX-QMMMGPOBSA-N -1 0 307.306 -0.368 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C)C(=O)[O-] ZINC001594232934 1016990849 /nfs/dbraw/zinc/99/08/49/1016990849.db2.gz HEOFWHLOYWEIHL-ZETCQYMHSA-N -1 0 305.290 -0.267 20 0 DBADRM CC1CC(CS(=O)(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001594241912 1016990912 /nfs/dbraw/zinc/99/09/12/1016990912.db2.gz BJZQIFCVZXWUKT-UHFFFAOYSA-N -1 0 306.384 -0.067 20 0 DBADRM C[C@H]1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCN1S(C)(=O)=O ZINC001594245905 1016991123 /nfs/dbraw/zinc/99/11/23/1016991123.db2.gz LAJIGCQLAHUUJK-LPEHRKFASA-N -1 0 319.383 -0.475 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CCS1(=O)=O ZINC001594245240 1016991362 /nfs/dbraw/zinc/99/13/62/1016991362.db2.gz GWTINTWJDYYGGY-DCAQKATOSA-N -1 0 319.379 -0.098 20 0 DBADRM Cc1c(C(=O)NC[C@@](C)(O)C(=O)[O-])cnn1-c1ccc(=O)[nH]n1 ZINC001594257107 1016992329 /nfs/dbraw/zinc/99/23/29/1016992329.db2.gz APSUTLNMOCAWLY-CYBMUJFWSA-N -1 0 321.293 -0.758 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CO1 ZINC001594250825 1016992593 /nfs/dbraw/zinc/99/25/93/1016992593.db2.gz YAZQEJRARGXNIF-RFHDDPBLSA-N -1 0 310.350 -0.105 20 0 DBADRM Cc1c(C(=O)NC[C@](C)(O)C(=O)[O-])cnn1-c1ccc(=O)[nH]n1 ZINC001594257110 1016993264 /nfs/dbraw/zinc/99/32/64/1016993264.db2.gz APSUTLNMOCAWLY-ZDUSSCGKSA-N -1 0 321.293 -0.758 20 0 DBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCCOCC(=O)[O-] ZINC001594249458 1016993410 /nfs/dbraw/zinc/99/34/10/1016993410.db2.gz HWLKXFPWNZTOLC-VXGBXAGGSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NC[C@H](F)C(=O)[O-] ZINC001594251542 1016993848 /nfs/dbraw/zinc/99/38/48/1016993848.db2.gz WMHOYWXRRMGQDS-VWYCJHECSA-N -1 0 303.334 -0.086 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594249734 1016994475 /nfs/dbraw/zinc/99/44/75/1016994475.db2.gz FFPNYPXIOKBVKJ-DTORHVGOSA-N -1 0 304.306 -0.147 20 0 DBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NC[C@H](F)C(=O)[O-] ZINC001594251541 1016994531 /nfs/dbraw/zinc/99/45/31/1016994531.db2.gz WMHOYWXRRMGQDS-MXWKQRLJSA-N -1 0 303.334 -0.086 20 0 DBADRM Cc1[nH]c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c(C)c1C=O ZINC001594248187 1016994555 /nfs/dbraw/zinc/99/45/55/1016994555.db2.gz WXJMRFYMURYNMM-UHFFFAOYSA-N -1 0 307.306 -0.187 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c2ncnn21 ZINC001594249585 1016994749 /nfs/dbraw/zinc/99/47/49/1016994749.db2.gz OLGSFAXGVITTTA-JBDRJPRFSA-N -1 0 307.310 -0.621 20 0 DBADRM C[C@@H]1CCC[C@@]1(O)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001594356982 1016999787 /nfs/dbraw/zinc/99/97/87/1016999787.db2.gz HFTHDYVNSUHUSV-QMTHXVAHSA-N -1 0 315.370 -0.182 20 0 DBADRM C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001594295842 1016999816 /nfs/dbraw/zinc/99/98/16/1016999816.db2.gz IYDWUGBXIQFSHL-NKWVEPMBSA-N -1 0 316.339 -0.618 20 0 DBADRM C[C@@H]1CCC[C@@]1(O)CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001594357246 1017000978 /nfs/dbraw/zinc/00/09/78/1017000978.db2.gz LDBZHRPLKZXRBD-RDDDGLTNSA-N -1 0 303.340 -0.063 20 0 DBADRM C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001594367564 1017001014 /nfs/dbraw/zinc/00/10/14/1017001014.db2.gz VMZACHRAZAZHSU-WYUUTHIRSA-N -1 0 312.366 -0.025 20 0 DBADRM CC1CCC(NS(=O)(=O)CC(=O)N[C@@H](CO)C(=O)[O-])CC1 ZINC001594320775 1017000726 /nfs/dbraw/zinc/00/07/26/1017000726.db2.gz NGIBJJFBXLEHCM-RTBKNWGFSA-N -1 0 322.383 -0.954 20 0 DBADRM C[C@H]1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])no2)c2ncnn21 ZINC001594264049 1016995626 /nfs/dbraw/zinc/99/56/26/1016995626.db2.gz KHAUZOUKDLBVBL-NTSWFWBYSA-N -1 0 313.295 -0.051 20 0 DBADRM C[C@@H]1C[C@H](S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])CCO1 ZINC001594265353 1016995788 /nfs/dbraw/zinc/99/57/88/1016995788.db2.gz BCGHVQYZNQXNOH-CHWFTXMASA-N -1 0 307.368 -0.206 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)C2(C(=O)[O-])CCC2)CC1=O ZINC001594276480 1016995795 /nfs/dbraw/zinc/99/57/95/1016995795.db2.gz CNUWGKBNRLHBSO-OPRDCNLKSA-N -1 0 316.379 -0.078 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2cnc(C(=O)[O-])cn2)CCS1(=O)=O ZINC001594262780 1016996090 /nfs/dbraw/zinc/99/60/90/1016996090.db2.gz YZLQSKMPEPNPEC-HTQZYQBOSA-N -1 0 313.335 -0.130 20 0 DBADRM C[C@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])no2)c2ncnn21 ZINC001594264053 1016996470 /nfs/dbraw/zinc/99/64/70/1016996470.db2.gz KHAUZOUKDLBVBL-WDSKDSINSA-N -1 0 313.295 -0.051 20 0 DBADRM C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cn2C)C(=O)O1 ZINC001594264423 1016997298 /nfs/dbraw/zinc/99/72/98/1016997298.db2.gz QVUISQLOFQMGTG-HTRCEHHLSA-N -1 0 302.308 -0.294 20 0 DBADRM C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001594295844 1017001127 /nfs/dbraw/zinc/00/11/27/1017001127.db2.gz IYDWUGBXIQFSHL-RQJHMYQMSA-N -1 0 316.339 -0.618 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)C1 ZINC001594377949 1017001942 /nfs/dbraw/zinc/00/19/42/1017001942.db2.gz FKXICNTUDQVQNU-KOLCDFICSA-N -1 0 308.338 -0.080 20 0 DBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)OCC(=O)C(=O)[O-])C2=O ZINC001594381950 1017001981 /nfs/dbraw/zinc/00/19/81/1017001981.db2.gz JTYMKUFMZWCUDI-UHFFFAOYSA-N -1 0 305.242 -0.212 20 0 DBADRM C[C@@H]1CCCN(C(=O)CCNC(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001594379606 1017002554 /nfs/dbraw/zinc/00/25/54/1017002554.db2.gz VZFCYGMFPAPCPD-SNVBAGLBSA-N -1 0 323.353 -0.259 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001594388614 1017003480 /nfs/dbraw/zinc/00/34/80/1017003480.db2.gz WTBBWDMIOMTDKC-UWVGGRQHSA-N -1 0 319.383 -0.619 20 0 DBADRM CC1CCN(C(=O)CN2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001594400798 1017004748 /nfs/dbraw/zinc/00/47/48/1017004748.db2.gz MBKVMCTXCMFPAB-OLZOCXBDSA-N -1 0 323.393 -0.234 20 0 DBADRM CC1CCN(C(=O)CN2CCC[C@H]2C(=O)NCC(=O)[O-])CC1 ZINC001594401294 1017005383 /nfs/dbraw/zinc/00/53/83/1017005383.db2.gz YDUPCLRHHIZBBR-LBPRGKRZSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CCS1(=O)=O ZINC001594402090 1017005935 /nfs/dbraw/zinc/00/59/35/1017005935.db2.gz OMPMNZXTJDGVQQ-MRVPVSSYSA-N -1 0 316.339 -0.988 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001594438420 1017012337 /nfs/dbraw/zinc/01/23/37/1017012337.db2.gz FFVJARJLPYYHSX-GMSGAONNSA-N -1 0 322.321 -0.697 20 0 DBADRM Cc1cccc(NCCNC(=O)c2cn(CC(=O)[O-])nn2)n1 ZINC001594407763 1017007189 /nfs/dbraw/zinc/00/71/89/1017007189.db2.gz ORCLFSGVIGSCLE-UHFFFAOYSA-N -1 0 304.310 -0.092 20 0 DBADRM Cc1cn2c(n1)CN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)CC2 ZINC001594428448 1017008278 /nfs/dbraw/zinc/00/82/78/1017008278.db2.gz WFGBYMPKDYYCQJ-SNVBAGLBSA-N -1 0 306.322 -0.533 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2cnc(N)nc2)[C@H](C(=O)[O-])C1 ZINC001594432064 1017009025 /nfs/dbraw/zinc/00/90/25/1017009025.db2.gz QIBBGWTUGVBSDU-CBAPKCEASA-N -1 0 300.340 -0.067 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N[C@H](CC2OCCO2)C(=O)[O-])C1 ZINC001594429489 1017009166 /nfs/dbraw/zinc/00/91/66/1017009166.db2.gz ZJKZIOUVJWIECW-RKDXNWHRSA-N -1 0 308.356 -0.621 20 0 DBADRM Cc1cn(C)nc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594425779 1017009415 /nfs/dbraw/zinc/00/94/15/1017009415.db2.gz PRISDOXJMNAWNW-QMMMGPOBSA-N -1 0 301.324 -0.948 20 0 DBADRM Cc1cn2nnc(C(=O)N3CCOC[C@H]3C(=O)[O-])c2c(=O)[nH]1 ZINC001594426849 1017009474 /nfs/dbraw/zinc/00/94/74/1017009474.db2.gz PEJIPALJBZQKHP-ZETCQYMHSA-N -1 0 307.266 -0.936 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001594438422 1017012542 /nfs/dbraw/zinc/01/25/42/1017012542.db2.gz FFVJARJLPYYHSX-XCBNKYQSSA-N -1 0 322.321 -0.697 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@]23C[C@H]2COC3)c1[O-] ZINC001428655145 1005975966 /nfs/dbraw/zinc/97/59/66/1005975966.db2.gz QLOCEPDLSAEVLB-CVXYPUPMSA-N -1 0 308.338 -0.305 20 0 DBADRM Cc1ccn(C)c1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594421655 1017010626 /nfs/dbraw/zinc/01/06/26/1017010626.db2.gz SFHKZUIHCQOWAN-VIFPVBQESA-N -1 0 300.336 -0.343 20 0 DBADRM Cc1cnn([C@H]2CCN(C(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)C2)c1 ZINC001594434694 1017011198 /nfs/dbraw/zinc/01/11/98/1017011198.db2.gz PEFSHRHBYPRHCR-NEPJUHHUSA-N -1 0 320.349 -0.102 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594443318 1017011302 /nfs/dbraw/zinc/01/13/02/1017011302.db2.gz VQDMPHWHWPTUSB-JTQLQIEISA-N -1 0 315.351 -0.721 20 0 DBADRM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001594449013 1017011696 /nfs/dbraw/zinc/01/16/96/1017011696.db2.gz XTEFLKHWWIRIQY-GGZOMVNGSA-N -1 0 318.337 -0.063 20 0 DBADRM C[C@H]1[C@@H](C)N(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C[C@H]1C ZINC001594453984 1017016462 /nfs/dbraw/zinc/01/64/62/1017016462.db2.gz KUUVHWOJSPCJGZ-PZWNZHSQSA-N -1 0 312.366 -0.217 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001428729499 1006011094 /nfs/dbraw/zinc/01/10/94/1006011094.db2.gz JOUJBZPLDVHJKL-HXFLIBJXSA-N -1 0 321.337 -0.437 20 0 DBADRM CS[C@@H](C)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001428732037 1006013913 /nfs/dbraw/zinc/01/39/13/1006013913.db2.gz WUTOEJPMURBYCC-RITPCOANSA-N -1 0 315.355 -0.731 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)[C@H](C)CO1 ZINC001594459355 1017018021 /nfs/dbraw/zinc/01/80/21/1017018021.db2.gz WHEJSNRFVVGHAA-HTQZYQBOSA-N -1 0 310.310 -0.307 20 0 DBADRM C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001594462556 1017018957 /nfs/dbraw/zinc/01/89/57/1017018957.db2.gz LGLNBFFFPNUQKN-CBAPKCEASA-N -1 0 307.310 -0.834 20 0 DBADRM Cc1nc(N)nc(C)c1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594456966 1017018232 /nfs/dbraw/zinc/01/82/32/1017018232.db2.gz BVXWXUFQJAALLX-XPTSAGLGSA-N -1 0 306.322 -0.151 20 0 DBADRM C[C@H]1CCc2nc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])cn2C1 ZINC001594448098 1017012673 /nfs/dbraw/zinc/01/26/73/1017012673.db2.gz OXXRRTXRUKQPHO-GXSJLCMTSA-N -1 0 320.349 -0.119 20 0 DBADRM Cc1nonc1CC(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001440259581 1006030258 /nfs/dbraw/zinc/03/02/58/1006030258.db2.gz YOKKSOCBAVDSAG-SECBINFHSA-N -1 0 321.341 -0.523 20 0 DBADRM Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001594442814 1017012981 /nfs/dbraw/zinc/01/29/81/1017012981.db2.gz DGTOMCPPLGZSJP-SECBINFHSA-N -1 0 322.365 -0.039 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001594438920 1017013221 /nfs/dbraw/zinc/01/32/21/1017013221.db2.gz JDIQPXSGOAWGOA-XVKPBYJWSA-N -1 0 313.335 -0.417 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C[C@@H](C)C1O ZINC001594455923 1017014454 /nfs/dbraw/zinc/01/44/54/1017014454.db2.gz WINJSEWIVQGLEQ-FCHSOHFDSA-N -1 0 312.366 -0.215 20 0 DBADRM Cc1nc(CN(C)C(=O)c2cccn(CC(=O)[O-])c2=O)no1 ZINC001594452658 1017014738 /nfs/dbraw/zinc/01/47/38/1017014738.db2.gz ZFNPQSBGPIAHLF-UHFFFAOYSA-N -1 0 306.278 -0.103 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@](C)(C(=O)[O-])C2)CC(=O)N1 ZINC001594455241 1017015277 /nfs/dbraw/zinc/01/52/77/1017015277.db2.gz SBAMOYROJZDTRB-XPTSAGLGSA-N -1 0 311.338 -0.953 20 0 DBADRM Cc1nc(CNC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)no1 ZINC001594453910 1017016038 /nfs/dbraw/zinc/01/60/38/1017016038.db2.gz SMVIYPCJWLAQSJ-UHFFFAOYSA-N -1 0 305.250 -0.274 20 0 DBADRM Cc1nc(N2CCN3C(=O)C(=O)NC[C@H]3C2)sc1C(=O)[O-] ZINC001594456534 1017016327 /nfs/dbraw/zinc/01/63/27/1017016327.db2.gz GLRFNXZDEQKSPJ-ZETCQYMHSA-N -1 0 310.335 -0.703 20 0 DBADRM Cc1ncc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1C ZINC001594467404 1017021474 /nfs/dbraw/zinc/02/14/74/1017021474.db2.gz AZAPZACCGJJQGS-VIFPVBQESA-N -1 0 301.324 -0.948 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594469019 1017021955 /nfs/dbraw/zinc/02/19/55/1017021955.db2.gz VWOSPGORTIOKPA-ZKCHVHJHSA-N -1 0 313.335 -0.370 20 0 DBADRM C[C@H]1CN(C(=O)CC2CS(=O)(=O)C2)CCN1CCC(=O)[O-] ZINC001594466213 1017023055 /nfs/dbraw/zinc/02/30/55/1017023055.db2.gz FNVCJZBRPLPVGX-JTQLQIEISA-N -1 0 318.395 -0.572 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)[C@H](C)CC(N)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001440447071 1006130474 /nfs/dbraw/zinc/13/04/74/1006130474.db2.gz IJCLSPXDMBBYRQ-KXUCPTDWSA-N -1 0 324.385 -0.509 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](O)CNC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001594480616 1017024342 /nfs/dbraw/zinc/02/43/42/1017024342.db2.gz RUPUKBZBRPTIRD-YGRLFVJLSA-N -1 0 311.338 -0.180 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001594477314 1017024548 /nfs/dbraw/zinc/02/45/48/1017024548.db2.gz HVNWSCKOBMONLP-NSHDSACASA-N -1 0 317.305 -0.104 20 0 DBADRM C[C@@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])C[C@H](C)[C@H]1O ZINC001594472510 1017026243 /nfs/dbraw/zinc/02/62/43/1017026243.db2.gz AIUNXDLIRSGFSQ-IWIIMEHWSA-N -1 0 315.370 -0.374 20 0 DBADRM C[C@H]1CN(C(=O)Cn2ncc(C(=O)[O-])cc2=O)CC(C)(C)O1 ZINC001594471185 1017026831 /nfs/dbraw/zinc/02/68/31/1017026831.db2.gz UAZMJTLFMRXIHO-VIFPVBQESA-N -1 0 309.322 -0.033 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N(CC(=O)[O-])CC2CC2)n1C ZINC001594490926 1017027423 /nfs/dbraw/zinc/02/74/23/1017027423.db2.gz AMRXWHZJLLHCCM-UHFFFAOYSA-N -1 0 309.370 -0.121 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)[C@@H](C)CN1CCO ZINC001594489188 1017027491 /nfs/dbraw/zinc/02/74/91/1017027491.db2.gz NOYZRPPROLWZHF-UWVGGRQHSA-N -1 0 310.354 -0.355 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)C[C@H](C)S1(=O)=O ZINC001594489233 1017027746 /nfs/dbraw/zinc/02/77/46/1017027746.db2.gz OPIVLYIJDWLXBE-OCAPTIKFSA-N -1 0 315.351 -0.234 20 0 DBADRM Cc1nnc(CCC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])o1 ZINC001594490994 1017027796 /nfs/dbraw/zinc/02/77/96/1017027796.db2.gz VMGDMTKMEVIBMS-MRVPVSSYSA-N -1 0 317.323 -0.979 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)n1C ZINC001594491003 1017028031 /nfs/dbraw/zinc/02/80/31/1017028031.db2.gz GQLAMGVFUPDRRH-SNVBAGLBSA-N -1 0 323.353 -0.547 20 0 DBADRM Cc1nn(CCS(=O)(=O)N(CC(=O)[O-])C2CCC2)c(=O)o1 ZINC001594488850 1017028285 /nfs/dbraw/zinc/02/82/85/1017028285.db2.gz LYRYHLQHOYSMJY-UHFFFAOYSA-N -1 0 319.339 -0.586 20 0 DBADRM CN(CCN(C)C(=O)CCc1cncnc1)Cc1n[nH]c(=O)[n-]1 ZINC001496745587 1017029401 /nfs/dbraw/zinc/02/94/01/1017029401.db2.gz SABRVMSNULSUPF-UHFFFAOYSA-N -1 0 319.369 -0.177 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Cc1cncs1 ZINC001496738492 1017029909 /nfs/dbraw/zinc/02/99/09/1017029909.db2.gz XAFBWBZKIYJAQL-UHFFFAOYSA-N -1 0 324.366 -0.057 20 0 DBADRM C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001594507891 1017032316 /nfs/dbraw/zinc/03/23/16/1017032316.db2.gz ORCYAGSSWVZGNH-GMSGAONNSA-N -1 0 314.367 -0.131 20 0 DBADRM C[C@H]1CN(CCC(=O)N(C)CC(=O)[O-])C[C@H](C)S1(=O)=O ZINC001594509062 1017033859 /nfs/dbraw/zinc/03/38/59/1017033859.db2.gz NJSPNPGYENLJKH-UWVGGRQHSA-N -1 0 306.384 -0.573 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)N(C)CC1CC1 ZINC001594508811 1017034140 /nfs/dbraw/zinc/03/41/40/1017034140.db2.gz KVXJYUATNWYLIZ-NSHDSACASA-N -1 0 311.382 -0.138 20 0 DBADRM C[C@@H]1CN([C@@H]2CCN(CCC(=O)[O-])C2=O)CC[S@](=O)C1 ZINC001594504798 1017034186 /nfs/dbraw/zinc/03/41/86/1017034186.db2.gz AFTUNUWLNBBEJD-HZNYWTHISA-N -1 0 302.396 -0.238 20 0 DBADRM C[C@@H]1CN([C@@H]2CCN(CCC(=O)[O-])C2=O)CC[S@@](=O)C1 ZINC001594504803 1017034463 /nfs/dbraw/zinc/03/44/63/1017034463.db2.gz AFTUNUWLNBBEJD-SUTOTMHJSA-N -1 0 302.396 -0.238 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnc(C(=O)[O-])cn2)C[C@H](C)S1(=O)=O ZINC001594496394 1017034485 /nfs/dbraw/zinc/03/44/85/1017034485.db2.gz MSJYQXJRZMYPQK-OCAPTIKFSA-N -1 0 313.335 -0.178 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(S(C)(=O)=O)CC1 ZINC001594514294 1017035038 /nfs/dbraw/zinc/03/50/38/1017035038.db2.gz WRGLOXGAMOUODZ-JTQLQIEISA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC001594513340 1017037897 /nfs/dbraw/zinc/03/78/97/1017037897.db2.gz JJOLIIHJWPWRGS-JHJVBQTASA-N -1 0 323.393 -0.138 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)Nc1cncnc1 ZINC001594513807 1017036393 /nfs/dbraw/zinc/03/63/93/1017036393.db2.gz QBVJLFCZQRHTMC-SNVBAGLBSA-N -1 0 321.337 -0.578 20 0 DBADRM C[C@H](C(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001429216692 1006291725 /nfs/dbraw/zinc/29/17/25/1006291725.db2.gz FAOVZDAYWCNIOM-VIFPVBQESA-N -1 0 322.365 -0.280 20 0 DBADRM Cc1nnc(CC(=O)N(C)CCNC(=O)c2[nH]nc(C)c2[O-])[nH]1 ZINC001429221949 1006292962 /nfs/dbraw/zinc/29/29/62/1006292962.db2.gz ZQZMIDKUSQRHLS-UHFFFAOYSA-N -1 0 321.341 -0.719 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NCc2cnn(C)n2)c1[O-] ZINC001440780708 1006303547 /nfs/dbraw/zinc/30/35/47/1006303547.db2.gz VBYQCWJJHIQAET-SFYZADRCSA-N -1 0 307.358 -0.151 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)c1ccn(C)n1 ZINC001594524537 1017043804 /nfs/dbraw/zinc/04/38/04/1017043804.db2.gz ABGOULVDSVRARV-JTQLQIEISA-N -1 0 316.383 -0.410 20 0 DBADRM C[C@@H]1CN(CCNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CCO1 ZINC001594527485 1017043849 /nfs/dbraw/zinc/04/38/49/1017043849.db2.gz KGJCDCZYVUPUOY-WOPDTQHZSA-N -1 0 315.370 -0.816 20 0 DBADRM C[C@@H]1CN(CCNC(=O)Nc2cc(C(=O)[O-])nn2C)CCO1 ZINC001594528870 1017040865 /nfs/dbraw/zinc/04/08/65/1017040865.db2.gz ZCOZNJBHXAPDMA-SECBINFHSA-N -1 0 311.342 -0.040 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)C[C@@H]1CCOC1 ZINC001594524697 1017041398 /nfs/dbraw/zinc/04/13/98/1017041398.db2.gz CFLGLKAGZFZQJB-VXGBXAGGSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@@H]1CN(CCO)CCN1S(=O)(=O)CCCCCC(=O)[O-] ZINC001594532251 1017042856 /nfs/dbraw/zinc/04/28/56/1017042856.db2.gz VPQSYKKPYGOMAW-GFCCVEGCSA-N -1 0 322.427 -0.040 20 0 DBADRM O=C(NCCc1nnc2n1CCCCC2)c1n[nH]c(=O)[n-]c1=O ZINC001440897766 1006344282 /nfs/dbraw/zinc/34/42/82/1006344282.db2.gz MPTIQASWBBRETM-UHFFFAOYSA-N -1 0 319.325 -0.427 20 0 DBADRM CC(=O)NCC[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001429318879 1006353103 /nfs/dbraw/zinc/35/31/03/1006353103.db2.gz DQVAMHCMDZWZEJ-MWLCHTKSSA-N -1 0 322.365 -0.280 20 0 DBADRM C[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440911697 1006353177 /nfs/dbraw/zinc/35/31/77/1006353177.db2.gz HHZYNOSQMYRCNJ-IUCAKERBSA-N -1 0 311.342 -0.600 20 0 DBADRM C[C@H](CNC(=O)C[C@@H]1COC(=O)C1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440911691 1006355453 /nfs/dbraw/zinc/35/54/53/1006355453.db2.gz HHZYNOSQMYRCNJ-BDAKNGLRSA-N -1 0 311.342 -0.600 20 0 DBADRM C[C@H]1CN(CCNC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CCO1 ZINC001594528916 1017044207 /nfs/dbraw/zinc/04/42/07/1017044207.db2.gz ZSCZYGNRHPPHLG-SRVKXCTJSA-N -1 0 315.370 -0.409 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)Cc2ncnn2C)c1[O-] ZINC001440918410 1006364694 /nfs/dbraw/zinc/36/46/94/1006364694.db2.gz RCCQAVSZYVCRCV-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001429361584 1006369929 /nfs/dbraw/zinc/36/99/29/1006369929.db2.gz RDGUYSIJGUWKEX-RKDXNWHRSA-N -1 0 323.353 -0.554 20 0 DBADRM C[C@@H](CNC(=O)c1cnc[nH]c1=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440939176 1006373912 /nfs/dbraw/zinc/37/39/12/1006373912.db2.gz YOTWGYCMGWCFEG-ZETCQYMHSA-N -1 0 307.314 -0.744 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC(=O)N1C ZINC001594554355 1017046213 /nfs/dbraw/zinc/04/62/13/1017046213.db2.gz ACTBMCNCRGHOGZ-VIFPVBQESA-N -1 0 319.383 -0.810 20 0 DBADRM COc1nc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)co1 ZINC001440953476 1006386584 /nfs/dbraw/zinc/38/65/84/1006386584.db2.gz ISMKFRUTNHENTG-ZETCQYMHSA-N -1 0 310.314 -0.243 20 0 DBADRM COc1nn(C)cc1C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440951612 1006387418 /nfs/dbraw/zinc/38/74/18/1006387418.db2.gz HDWXRTLYVYSNQA-QMMMGPOBSA-N -1 0 323.357 -0.497 20 0 DBADRM CN(CCNC(=O)[C@]12C[C@H]1CCC2)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429412596 1006391192 /nfs/dbraw/zinc/39/11/92/1006391192.db2.gz SBYSMBLYUWVZIY-XLKFXECMSA-N -1 0 321.337 -0.339 20 0 DBADRM Cc1nc[nH]c1CC(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001429410897 1006391534 /nfs/dbraw/zinc/39/15/34/1006391534.db2.gz SVIDHHOBVKVFAJ-UHFFFAOYSA-N -1 0 320.353 -0.114 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC001594555112 1017047166 /nfs/dbraw/zinc/04/71/66/1017047166.db2.gz JSHGSMSHMZTWGQ-AATLWQCWSA-N -1 0 308.356 -0.828 20 0 DBADRM C[C@H](CNC(=O)CCc1cn[nH]n1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440971627 1006392625 /nfs/dbraw/zinc/39/26/25/1006392625.db2.gz GFZGGPHDXPARAW-MRVPVSSYSA-N -1 0 308.346 -0.802 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC(=O)N1C ZINC001594555985 1017047418 /nfs/dbraw/zinc/04/74/18/1017047418.db2.gz WAHJEDRMKPLYLZ-SSDOTTSWSA-N -1 0 302.308 -0.171 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC(=O)N1C ZINC001594557171 1017047532 /nfs/dbraw/zinc/04/75/32/1017047532.db2.gz SXNGKDWMTYZGFL-QMMMGPOBSA-N -1 0 313.335 -0.369 20 0 DBADRM C[C@@H]1COC2(CCC2)CN1C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001594597066 1017048825 /nfs/dbraw/zinc/04/88/25/1017048825.db2.gz AYTOMBOJAOAXHJ-BDAKNGLRSA-N -1 0 302.302 -0.305 20 0 DBADRM C[C@H]1COCCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001594607055 1017049000 /nfs/dbraw/zinc/04/90/00/1017049000.db2.gz KKZNLROLELASNK-SNVBAGLBSA-N -1 0 301.343 -0.355 20 0 DBADRM CCC(C)(C)C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429453382 1006417317 /nfs/dbraw/zinc/41/73/17/1006417317.db2.gz PSVFLYGJECWDIW-UHFFFAOYSA-N -1 0 311.342 -0.093 20 0 DBADRM C[C@@H]1COC[C@@H]1NC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001594594116 1017049205 /nfs/dbraw/zinc/04/92/05/1017049205.db2.gz ZJGMLFHAHLMRSS-VWYCJHECSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@@H]1CCOC[C@H]1C)C(=O)[O-] ZINC001594598084 1017049307 /nfs/dbraw/zinc/04/93/07/1017049307.db2.gz UWCUGGROQOWHSN-RCWTZXSCSA-N -1 0 315.370 -0.064 20 0 DBADRM C[C@@H]1CNc2c(C(=O)N[C@H](CC3OCCO3)C(=O)[O-])cnn2C1 ZINC001594588083 1017049675 /nfs/dbraw/zinc/04/96/75/1017049675.db2.gz VRJKOEHWSASHNY-PSASIEDQSA-N -1 0 324.337 -0.109 20 0 DBADRM C[C@H]1Oc2c(cccc2C(=O)NC[C@@H](O)CC(=O)[O-])NC1=O ZINC001594650334 1017054960 /nfs/dbraw/zinc/05/49/60/1017054960.db2.gz CUUNYVJRGWOIGP-SFYZADRCSA-N -1 0 308.290 -0.029 20 0 DBADRM C[C@H]1OCC[C@@H]1C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001594643383 1017056106 /nfs/dbraw/zinc/05/61/06/1017056106.db2.gz UGHXJYLNMDRJQH-ZJUUUORDSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001594649504 1017056385 /nfs/dbraw/zinc/05/63/85/1017056385.db2.gz XCYDELKEEJRQGM-NHCYSSNCSA-N -1 0 317.367 -0.177 20 0 DBADRM C[C@@H]1CNc2c(C(=O)NCCC(=O)NCCC(=O)[O-])cnn2C1 ZINC001594585444 1017050819 /nfs/dbraw/zinc/05/08/19/1017050819.db2.gz AJKQAHRJNHCPMP-SECBINFHSA-N -1 0 323.353 -0.345 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001594629459 1017051739 /nfs/dbraw/zinc/05/17/39/1017051739.db2.gz IZUUZOOXASUTPY-XHNCKOQMSA-N -1 0 304.368 -0.079 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001594636191 1017051874 /nfs/dbraw/zinc/05/18/74/1017051874.db2.gz PWCNXDNRKFEFGS-JIOCBJNQSA-N -1 0 324.337 -0.015 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001594632918 1017052663 /nfs/dbraw/zinc/05/26/63/1017052663.db2.gz RIUNVSJLEXJEJL-NRPADANISA-N -1 0 323.309 -0.363 20 0 DBADRM C[C@H]1CS(=O)(=O)CCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001594610128 1017052769 /nfs/dbraw/zinc/05/27/69/1017052769.db2.gz MKQHHFFJWHDIQH-QMMMGPOBSA-N -1 0 316.339 -0.988 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N(C)[C@H](COC1CCC1)C(=O)[O-] ZINC001594632405 1017053225 /nfs/dbraw/zinc/05/32/25/1017053225.db2.gz LINHRNOQGOVGJV-SFGNSQDASA-N -1 0 300.311 -0.036 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001594629458 1017053428 /nfs/dbraw/zinc/05/34/28/1017053428.db2.gz IZUUZOOXASUTPY-DJLDLDEBSA-N -1 0 304.368 -0.079 20 0 DBADRM C[C@H]1OC(=O)N[C@@H]1C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001594632576 1017053771 /nfs/dbraw/zinc/05/37/71/1017053771.db2.gz NXFVHADDKBPBLF-KCJUWKMLSA-N -1 0 300.311 -0.034 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001594626173 1017053885 /nfs/dbraw/zinc/05/38/85/1017053885.db2.gz MCRISZBWRPPUQV-VPJKUYQRSA-N -1 0 313.354 -0.217 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O ZINC001594674979 1017057203 /nfs/dbraw/zinc/05/72/03/1017057203.db2.gz WNNQLBIRPJLSPU-RHAQGCAPSA-N -1 0 306.322 -0.193 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N[C@H](CC2OCCO2)C(=O)[O-])C1 ZINC001594695724 1017057717 /nfs/dbraw/zinc/05/77/17/1017057717.db2.gz NYAAAZNVTYZHRP-NXEZZACHSA-N -1 0 314.338 -0.423 20 0 DBADRM C/C=C(/C)C(=O)N(CCO)CCNc1ccnc(C(=O)[O-])n1 ZINC001594674604 1017058875 /nfs/dbraw/zinc/05/88/75/1017058875.db2.gz UAAKRPQDXDVYEX-KMKOMSMNSA-N -1 0 308.338 -0.204 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])C1 ZINC001594694862 1017058883 /nfs/dbraw/zinc/05/88/83/1017058883.db2.gz AEUWLMXOYFNPIW-GHMZBOCLSA-N -1 0 308.338 -0.289 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@H]2CC(c3cccnc3)=NO2)CCOC1 ZINC001594724194 1017063246 /nfs/dbraw/zinc/06/32/46/1017063246.db2.gz MNUGWTWHFIDMCY-RISCZKNCSA-N -1 0 305.290 -0.066 20 0 DBADRM C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1ccncn1 ZINC001594658570 1017059050 /nfs/dbraw/zinc/05/90/50/1017059050.db2.gz NXLHWKBYJXOEEB-WCBMZHEXSA-N -1 0 324.362 -0.029 20 0 DBADRM C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001594658641 1017059146 /nfs/dbraw/zinc/05/91/46/1017059146.db2.gz OLSFQXSUHRUOTE-JLIMGVALSA-N -1 0 316.379 -0.709 20 0 DBADRM C[C@H]1c2nncn2CCN1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001594670579 1017059182 /nfs/dbraw/zinc/05/91/82/1017059182.db2.gz CRJGEAAUDYEXTR-IVZWLZJFSA-N -1 0 309.326 -0.146 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC001594761899 1017063482 /nfs/dbraw/zinc/06/34/82/1017063482.db2.gz JOPSVFYTOJHCTQ-JTQLQIEISA-N -1 0 312.326 -0.305 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001594706759 1017059737 /nfs/dbraw/zinc/05/97/37/1017059737.db2.gz UPHSSYUIQDZUQI-OPRDCNLKSA-N -1 0 314.338 -0.234 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001594706543 1017060121 /nfs/dbraw/zinc/06/01/21/1017060121.db2.gz RFKRIGVFSLSERU-BBBLOLIVSA-N -1 0 314.338 -0.234 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001594706317 1017060251 /nfs/dbraw/zinc/06/02/51/1017060251.db2.gz OHSYZEDCUIHCCY-VGMNWLOBSA-N -1 0 300.311 -0.767 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001594706087 1017060358 /nfs/dbraw/zinc/06/03/58/1017060358.db2.gz JQYRSGBTUCBMAP-OPRDCNLKSA-N -1 0 314.338 -0.234 20 0 DBADRM CCC(=O)NCC(=O)NC[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001594708347 1017060672 /nfs/dbraw/zinc/06/06/72/1017060672.db2.gz TUYZAFSJZINCNU-MRVPVSSYSA-N -1 0 309.326 -0.382 20 0 DBADRM CCC(=O)NCC(=O)NCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001594712318 1017061054 /nfs/dbraw/zinc/06/10/54/1017061054.db2.gz HCPLBHGXPKAWLR-UHFFFAOYSA-N -1 0 309.326 -0.747 20 0 DBADRM CCC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NCCC(=O)[O-] ZINC001594700770 1017061147 /nfs/dbraw/zinc/06/11/47/1017061147.db2.gz OGGHIKBTVQYXMB-SNVBAGLBSA-N -1 0 314.338 -0.088 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001594706760 1017061369 /nfs/dbraw/zinc/06/13/69/1017061369.db2.gz UPHSSYUIQDZUQI-UTLUCORTSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001594755886 1017063403 /nfs/dbraw/zinc/06/34/03/1017063403.db2.gz AMFGTEZTTDUDLE-ZETCQYMHSA-N -1 0 314.385 -0.729 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001594745194 1017062823 /nfs/dbraw/zinc/06/28/23/1017062823.db2.gz MWYWCMUIXBFEOI-ZYHUDNBSSA-N -1 0 311.382 -0.092 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001594756491 1017062899 /nfs/dbraw/zinc/06/28/99/1017062899.db2.gz NCBFHIITPHKQHQ-QMMMGPOBSA-N -1 0 307.310 -0.803 20 0 DBADRM CC[C@](C)(O)CNC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001594859345 1017068043 /nfs/dbraw/zinc/06/80/43/1017068043.db2.gz OOETXYBNSLAMLI-ZDUSSCGKSA-N -1 0 312.326 -0.508 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1C[C@H]2[C@H](C(=O)OC)[C@H]2C1)C(=O)[O-] ZINC001594894725 1017068895 /nfs/dbraw/zinc/06/88/95/1017068895.db2.gz YEDVARAZBQEGER-QSXVKLJYSA-N -1 0 312.366 -0.047 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)C1CN(C(C)=O)C1)C(=O)[O-] ZINC001594895024 1017069137 /nfs/dbraw/zinc/06/91/37/1017069137.db2.gz AEGTZBSAXCTVOX-PRHODGIISA-N -1 0 314.338 -0.377 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@H]1CCC(=O)N1C)C(=O)[O-] ZINC001594898184 1017069156 /nfs/dbraw/zinc/06/91/56/1017069156.db2.gz USCRNIQCKKFYAX-YGOYTEALSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCOC[C@@H]1COC)C(=O)[O-] ZINC001594894282 1017069390 /nfs/dbraw/zinc/06/93/90/1017069390.db2.gz ONAGGBJOBBBNMQ-GVXVVHGQSA-N -1 0 302.371 -0.051 20 0 DBADRM CC[C@@H](C(=O)N(CC(=O)[O-])CC(=O)OC)N1CCCC1=O ZINC001594725006 1017064369 /nfs/dbraw/zinc/06/43/69/1017064369.db2.gz ICLHJQBKYMDJGI-VIFPVBQESA-N -1 0 300.311 -0.526 20 0 DBADRM CC[C@](C)(NC(=O)c1ccnc2c(C(N)=O)cnn21)C(=O)[O-] ZINC001594848041 1017065168 /nfs/dbraw/zinc/06/51/68/1017065168.db2.gz SXAXCMSWRGYHMA-ZDUSSCGKSA-N -1 0 305.294 -0.189 20 0 DBADRM CC1(C(=O)NCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C2CC2)CC1 ZINC001429899323 1006613348 /nfs/dbraw/zinc/61/33/48/1006613348.db2.gz ZDQIHRIGAHTWAS-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)O[C@@H]1CCN(CCC(=O)OC)C1=O ZINC001594765020 1017065662 /nfs/dbraw/zinc/06/56/62/1017065662.db2.gz LOGKVENEBIQWRY-RKDXNWHRSA-N -1 0 301.295 -0.196 20 0 DBADRM CC[C@](C)(CC(=O)[O-])NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001594819202 1017065973 /nfs/dbraw/zinc/06/59/73/1017065973.db2.gz UUDQXZSVLFKLAE-LLVKDONJSA-N -1 0 309.388 -0.516 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cnn(C[C@H](O)CO)c1)c1ccccc1 ZINC001594786999 1017066079 /nfs/dbraw/zinc/06/60/79/1017066079.db2.gz XKDOLHMIZKIYJP-STQMWFEESA-N -1 0 319.317 -0.208 20 0 DBADRM CC[C@](C)(NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(=O)OC ZINC001594852969 1017066317 /nfs/dbraw/zinc/06/63/17/1017066317.db2.gz ATOYBDZVFHMMMY-JTQLQIEISA-N -1 0 305.312 -0.272 20 0 DBADRM O=C(NCc1cc[nH]n1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001441424066 1006643457 /nfs/dbraw/zinc/64/34/57/1006643457.db2.gz TURWXBIDLCDPCF-UHFFFAOYSA-N -1 0 300.278 -0.081 20 0 DBADRM CCNC(=O)CCC(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001430180982 1006740947 /nfs/dbraw/zinc/74/09/47/1006740947.db2.gz WLORZVAZMVCADL-UHFFFAOYSA-N -1 0 323.353 -0.719 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(C(=O)CCCF)C1 ZINC001430404823 1006844333 /nfs/dbraw/zinc/84/43/33/1006844333.db2.gz KTDZYIGHQFRXDF-UHFFFAOYSA-N -1 0 315.305 -0.986 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(C(=O)c2ccoc2)C1 ZINC001430405742 1006844415 /nfs/dbraw/zinc/84/44/15/1006844415.db2.gz MTEZKHJAGYJRAL-UHFFFAOYSA-N -1 0 321.293 -0.829 20 0 DBADRM C[C@H](Cc1ccco1)C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001441759297 1006857565 /nfs/dbraw/zinc/85/75/65/1006857565.db2.gz WCVGBSYALSJBAK-NXEZZACHSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@@H](CNC(=O)CC1CCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001430465497 1006864588 /nfs/dbraw/zinc/86/45/88/1006864588.db2.gz BBURVDMMKZZKAG-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@@H](CNC(=O)CCC1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001430469279 1006866194 /nfs/dbraw/zinc/86/61/94/1006866194.db2.gz TYJPGMSCMQPKCM-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@H](CNC(=O)C1=CCCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001430479357 1006869946 /nfs/dbraw/zinc/86/99/46/1006869946.db2.gz OVGBJIUIZHMMQM-SECBINFHSA-N -1 0 320.349 -0.169 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2cccnn2)c1[O-] ZINC001430481338 1006870007 /nfs/dbraw/zinc/87/00/07/1006870007.db2.gz OOKJEWNAALJXQN-ZETCQYMHSA-N -1 0 304.310 -0.238 20 0 DBADRM C[C@@H](CNC(=O)C1CC(C)(C)C1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001430520144 1006880716 /nfs/dbraw/zinc/88/07/16/1006880716.db2.gz RISDPKMVOCEAAZ-ZETCQYMHSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)Cn1nccn1 ZINC001430571848 1006900626 /nfs/dbraw/zinc/90/06/26/1006900626.db2.gz MNPQNTMWFIEKIN-SECBINFHSA-N -1 0 321.341 -0.660 20 0 DBADRM CN(C)C(=O)[C@H]1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001598118474 1017233596 /nfs/dbraw/zinc/23/35/96/1017233596.db2.gz HKYGALIMNGQSCX-VWYCJHECSA-N -1 0 318.395 -0.020 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCCOCC(=O)[O-])O1 ZINC001598120259 1017233672 /nfs/dbraw/zinc/23/36/72/1017233672.db2.gz XFNHXEAPOHQHEA-ZJUUUORDSA-N -1 0 317.342 -0.977 20 0 DBADRM CN(C(=O)c1cnccn1)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598097710 1017234037 /nfs/dbraw/zinc/23/40/37/1017234037.db2.gz IVPOMYRTVIGVLQ-VHSXEESVSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)c1cn(C)c(=O)[nH]1)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001598096349 1017234136 /nfs/dbraw/zinc/23/41/36/1017234136.db2.gz NWXSTLATVNFAOQ-RKDXNWHRSA-N -1 0 322.321 -0.871 20 0 DBADRM CN(C(=O)c1nccnc1N)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001598105016 1017234783 /nfs/dbraw/zinc/23/47/83/1017234783.db2.gz ZUJOVFBFAFNALF-RKDXNWHRSA-N -1 0 319.321 -0.938 20 0 DBADRM CN(C)C(=O)CNC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001598129980 1017235815 /nfs/dbraw/zinc/23/58/15/1017235815.db2.gz LNZQWYQJRYJNES-QMMMGPOBSA-N -1 0 309.326 -0.196 20 0 DBADRM CN(C)C(=O)CNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001598131081 1017236024 /nfs/dbraw/zinc/23/60/24/1017236024.db2.gz UQBAAPJJTRPMPU-UHFFFAOYSA-N -1 0 300.336 -0.320 20 0 DBADRM CN(C)C(=O)COC1CN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001598130721 1017236106 /nfs/dbraw/zinc/23/61/06/1017236106.db2.gz LVIGAECYEGPJKK-UHFFFAOYSA-N -1 0 322.383 -0.784 20 0 DBADRM CN(C)C(=O)CCn1nnnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001598126750 1017237198 /nfs/dbraw/zinc/23/71/98/1017237198.db2.gz WAXWDWQURQCIIA-CYBMUJFWSA-N -1 0 310.358 -0.158 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001598129859 1017237427 /nfs/dbraw/zinc/23/74/27/1017237427.db2.gz BQYKXBXTHZOBLH-UHFFFAOYSA-N -1 0 323.305 -0.707 20 0 DBADRM CN(C)C(=O)CCCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598124890 1017237447 /nfs/dbraw/zinc/23/74/47/1017237447.db2.gz RJXKBUVPPPHSNK-UHFFFAOYSA-N -1 0 304.328 -0.745 20 0 DBADRM CN(C)C(=O)OCCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598143985 1017238177 /nfs/dbraw/zinc/23/81/77/1017238177.db2.gz CDROGUBVGIKYNI-VIFPVBQESA-N -1 0 315.326 -0.876 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)c2ccc(C(=O)[O-])n2C)n1 ZINC001598134850 1017238659 /nfs/dbraw/zinc/23/86/59/1017238659.db2.gz CWDSTZQZPAQTHG-UHFFFAOYSA-N -1 0 320.309 -0.345 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)nn1 ZINC001598133797 1017238913 /nfs/dbraw/zinc/23/89/13/1017238913.db2.gz CLNJEPPRFWIBLN-RGOKHQFPSA-N -1 0 321.337 -0.795 20 0 DBADRM CN(C)C(=O)OCCNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001598144541 1017239283 /nfs/dbraw/zinc/23/92/83/1017239283.db2.gz HJYCJGWKXMJHEK-UHFFFAOYSA-N -1 0 317.323 -0.244 20 0 DBADRM CN(C)C(=O)NCCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001598139725 1017239515 /nfs/dbraw/zinc/23/95/15/1017239515.db2.gz BLWNSONOQQXPTQ-VHSXEESVSA-N -1 0 301.343 -0.214 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])nn1 ZINC001598133845 1017240059 /nfs/dbraw/zinc/24/00/59/1017240059.db2.gz FIRDMOUETGSNIH-IUCAKERBSA-N -1 0 309.326 -0.651 20 0 DBADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001598139149 1017240139 /nfs/dbraw/zinc/24/01/39/1017240139.db2.gz HERAPUANZZNVGQ-AXFHLTTASA-N -1 0 313.354 -0.119 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(CCNC(=O)C2CC2)C1 ZINC001597998117 1017226006 /nfs/dbraw/zinc/22/60/06/1017226006.db2.gz HAUOJWGTKBFHLW-VXGBXAGGSA-N -1 0 309.366 -0.624 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)CCCC(N)=O)C1 ZINC001597998338 1017226252 /nfs/dbraw/zinc/22/62/52/1017226252.db2.gz LAYILSXGHZBGAA-NXEZZACHSA-N -1 0 311.338 -0.968 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(CC(=O)NC2CCCC2)C1 ZINC001597998109 1017226367 /nfs/dbraw/zinc/22/63/67/1017226367.db2.gz GWTBSSAYJBIOIL-QWHCGFSZSA-N -1 0 323.393 -0.092 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cnn(C)c2)C1 ZINC001597998297 1017226533 /nfs/dbraw/zinc/22/65/33/1017226533.db2.gz KMMPGKDIVVGQNV-MNOVXSKESA-N -1 0 306.322 -0.576 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)CCn2ccnn2)C1 ZINC001597998502 1017226626 /nfs/dbraw/zinc/22/66/26/1017226626.db2.gz OAHDFYASXJSVIB-WDEREUQCSA-N -1 0 321.337 -0.942 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2ncccn2)C1 ZINC001597997735 1017226653 /nfs/dbraw/zinc/22/66/53/1017226653.db2.gz AICGEHFLEGIBTQ-NXEZZACHSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001597997769 1017226721 /nfs/dbraw/zinc/22/67/21/1017226721.db2.gz AYXMXOOQQBWRJS-DTWKUNHWSA-N -1 0 320.305 -0.814 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001597998164 1017226743 /nfs/dbraw/zinc/22/67/43/1017226743.db2.gz ICFDBMNJWDLRFR-NXEZZACHSA-N -1 0 320.305 -0.814 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)Cc2ccn(C)n2)C1 ZINC001597998636 1017226952 /nfs/dbraw/zinc/22/69/52/1017226952.db2.gz RCKQFIONIWTIDF-VXGBXAGGSA-N -1 0 320.349 -0.648 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CCN(Cc2nncn2C)CC1 ZINC001597997931 1017227255 /nfs/dbraw/zinc/22/72/55/1017227255.db2.gz CNXJSVQIKKIWQB-VXGBXAGGSA-N -1 0 321.381 -0.041 20 0 DBADRM C[C@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)C(F)F ZINC001430646496 1006955634 /nfs/dbraw/zinc/95/56/34/1006955634.db2.gz KCZNRZILYCBFSX-RXMQYKEDSA-N -1 0 319.268 -0.899 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(CC(=O)NC(C)(C)C)C1 ZINC001597999015 1017228297 /nfs/dbraw/zinc/22/82/97/1017228297.db2.gz ZNHHFJNSZUPKRM-WDEREUQCSA-N -1 0 311.382 -0.236 20 0 DBADRM CN(C(=O)C[C@@H]1NC(=O)NC1=O)c1nc(CC(=O)[O-])cs1 ZINC001598034043 1017228653 /nfs/dbraw/zinc/22/86/53/1017228653.db2.gz ADAHMSAYKMXVJK-LURJTMIESA-N -1 0 312.307 -0.669 20 0 DBADRM CN(C(=O)Cc1cnoc1)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598040709 1017228812 /nfs/dbraw/zinc/22/88/12/1017228812.db2.gz ZTTWXQGCLRZMEJ-MNOVXSKESA-N -1 0 307.306 -0.393 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC001598033631 1017228966 /nfs/dbraw/zinc/22/89/66/1017228966.db2.gz YNRGFUFUMQHDBN-UHFFFAOYSA-N -1 0 321.380 -0.376 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)CCc2cn[nH]c2)C1 ZINC001597998936 1017229190 /nfs/dbraw/zinc/22/91/90/1017229190.db2.gz YAWFNGLJNDIAOE-NWDGAFQWSA-N -1 0 320.349 -0.268 20 0 DBADRM CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598067179 1017231718 /nfs/dbraw/zinc/23/17/18/1017231718.db2.gz RVECRKNLMFHZLL-GXSJLCMTSA-N -1 0 305.290 -0.131 20 0 DBADRM CN(C(=O)N1CC[C@@](F)(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC001598042463 1017232179 /nfs/dbraw/zinc/23/21/79/1017232179.db2.gz YUMXCQUVLGPLHE-KWQFWETISA-N -1 0 308.331 -0.276 20 0 DBADRM CN(C(=O)c1cc(N2CCNC(=O)C2)ccn1)C(C)(C)C(=O)[O-] ZINC001598079137 1017232191 /nfs/dbraw/zinc/23/21/91/1017232191.db2.gz SEIPITFLAYNXRY-UHFFFAOYSA-N -1 0 320.349 -0.047 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NC[C@H](F)C(=O)[O-])O1 ZINC001598117492 1017232840 /nfs/dbraw/zinc/23/28/40/1017232840.db2.gz JQABATAOSRUQBM-XHNCKOQMSA-N -1 0 305.306 -0.656 20 0 DBADRM CC(C)[C@H](F)C(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001430697274 1006999251 /nfs/dbraw/zinc/99/92/51/1006999251.db2.gz NBILGLSNNUNCLR-APPZFPTMSA-N -1 0 317.321 -0.696 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)Cn2ccnc2)c1[O-] ZINC001431002043 1007130575 /nfs/dbraw/zinc/13/05/75/1007130575.db2.gz OAJLJRAJCYZCRN-SECBINFHSA-N -1 0 320.353 -0.197 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)c2cncn2C)c1[O-] ZINC001431006514 1007132591 /nfs/dbraw/zinc/13/25/91/1007132591.db2.gz XOFIROIZECDMIM-QMMMGPOBSA-N -1 0 320.353 -0.047 20 0 DBADRM CN(CCNC(=O)c1cnc[nH]c1=O)C(=O)CC1OCCCO1 ZINC001431321309 1007347878 /nfs/dbraw/zinc/34/78/78/1007347878.db2.gz GGIJPPQNSLNSON-UHFFFAOYSA-N -1 0 324.337 -0.477 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1CC(C)(C)C1 ZINC001431395592 1007392418 /nfs/dbraw/zinc/39/24/18/1007392418.db2.gz BSKXIDBWYOJAPU-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)c1ccccc1 ZINC001431417169 1007410026 /nfs/dbraw/zinc/41/00/26/1007410026.db2.gz VHUCJRNFSQYLEG-UHFFFAOYSA-N -1 0 319.321 -0.422 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)c2cccn2C)c1[O-] ZINC001431490552 1007501437 /nfs/dbraw/zinc/50/14/37/1007501437.db2.gz INVKHLXUMPFGHK-SECBINFHSA-N -1 0 321.337 -0.717 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)C2(CF)CC2)c1[O-] ZINC001431513775 1007556202 /nfs/dbraw/zinc/55/62/02/1007556202.db2.gz OCXKGHBOBIVYNO-MRVPVSSYSA-N -1 0 314.317 -0.620 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CC1(C)C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001442738000 1007636080 /nfs/dbraw/zinc/63/60/80/1007636080.db2.gz SWTGYHPUOQSYSN-YUMQZZPRSA-N -1 0 323.353 -0.094 20 0 DBADRM CCN(CCNC(=O)CCN1CCCC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001442763491 1007647634 /nfs/dbraw/zinc/64/76/34/1007647634.db2.gz YFKLGPIEQIUGAJ-UHFFFAOYSA-N -1 0 324.385 -0.539 20 0 DBADRM O=C(Cc1cc[nH]n1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001442855776 1007686413 /nfs/dbraw/zinc/68/64/13/1007686413.db2.gz SEUVFHRZARMREM-SECBINFHSA-N -1 0 305.342 -0.586 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001598259609 1017248697 /nfs/dbraw/zinc/24/86/97/1017248697.db2.gz MDAIHNFNLIYSKE-UHFFFAOYSA-N -1 0 301.324 -0.461 20 0 DBADRM CN(C)S(=O)(=O)C[C@H](NC(=O)CC(=O)[O-])C(F)(F)F ZINC001598259999 1017249959 /nfs/dbraw/zinc/24/99/59/1017249959.db2.gz RUOQNUZIWONMTO-YFKPBYRVSA-N -1 0 306.262 -0.600 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001598259523 1017250733 /nfs/dbraw/zinc/25/07/33/1017250733.db2.gz KBILMVNEEBQXHW-IUCAKERBSA-N -1 0 308.356 -0.984 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)OCc1ccc(C(=O)[O-])o1 ZINC001598265454 1017251497 /nfs/dbraw/zinc/25/14/97/1017251497.db2.gz TVWIHNQPCQAIRN-UHFFFAOYSA-N -1 0 320.323 -0.241 20 0 DBADRM CN(C)S(=O)(=O)NCc1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001598267317 1017251512 /nfs/dbraw/zinc/25/15/12/1017251512.db2.gz QLLQANNPRMDDJQ-UHFFFAOYSA-N -1 0 316.295 -0.076 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)OCc1oncc1C(=O)[O-] ZINC001598262114 1017251909 /nfs/dbraw/zinc/25/19/09/1017251909.db2.gz NMBHASOKHHNDIQ-UHFFFAOYSA-N -1 0 306.296 -0.303 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001598266914 1017251997 /nfs/dbraw/zinc/25/19/97/1017251997.db2.gz KTZMCVAFSHTOLJ-ZJUUUORDSA-N -1 0 321.399 -0.610 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H](O)CC(=O)[O-])co1 ZINC001598269831 1017252761 /nfs/dbraw/zinc/25/27/61/1017252761.db2.gz OTGYPVLKYBWOEA-MRVPVSSYSA-N -1 0 320.323 -0.905 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)c1ccsc1C(=O)[O-] ZINC001598267684 1017252966 /nfs/dbraw/zinc/25/29/66/1017252966.db2.gz UGGBYJUKERXDCM-UHFFFAOYSA-N -1 0 321.380 -0.428 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](CF)C(=O)[O-])o1 ZINC001598270250 1017253042 /nfs/dbraw/zinc/25/30/42/1017253042.db2.gz QWGWTAOMDNBRKD-LURJTMIESA-N -1 0 308.287 -0.318 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)CN1CCSC[C@H]1CC(=O)[O-] ZINC001598283503 1017254300 /nfs/dbraw/zinc/25/43/00/1017254300.db2.gz XAJZZMPUFMZTQC-YBYGRFCBSA-N -1 0 323.440 -0.021 20 0 DBADRM O=C([C@H]1CCc2nncn2CC1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001443452475 1007849764 /nfs/dbraw/zinc/84/97/64/1007849764.db2.gz QJSMFLPACYWSFF-VHSXEESVSA-N -1 0 318.341 -0.656 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001432251352 1007868201 /nfs/dbraw/zinc/86/82/01/1007868201.db2.gz LHUNAMHTTGKEGS-HTQZYQBOSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@H](CC(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC001432271615 1007876013 /nfs/dbraw/zinc/87/60/13/1007876013.db2.gz PGJPBRKJRYOVRD-SSDOTTSWSA-N -1 0 321.337 -0.340 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)c1nccnc1N)C(=O)[O-] ZINC001594904461 1017070090 /nfs/dbraw/zinc/07/00/90/1017070090.db2.gz ZZRWNQSISJGGIR-CBAPKCEASA-N -1 0 310.310 -0.169 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1cnc2c(c1=O)COCC2)C(=O)[O-] ZINC001594909680 1017070276 /nfs/dbraw/zinc/07/02/76/1017070276.db2.gz VZBSXBAYPYQZJK-ZANVPECISA-N -1 0 323.349 -0.069 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)[C@H](C)NC(C)=O)C(=O)[O-] ZINC001594902913 1017070308 /nfs/dbraw/zinc/07/03/08/1017070308.db2.gz CZOSOMPQFQAHIB-VHSKPIJISA-N -1 0 302.327 -0.330 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@@H]1NC(=O)O[C@@H]1C)C(=O)[O-] ZINC001594895576 1017070466 /nfs/dbraw/zinc/07/04/66/1017070466.db2.gz DXTWJCJUIJSLPB-WPYKOPORSA-N -1 0 316.310 -0.358 20 0 DBADRM Cc1ncoc1CN1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001443634669 1007892460 /nfs/dbraw/zinc/89/24/60/1007892460.db2.gz NIYUPNWECIDFCU-UHFFFAOYSA-N -1 0 322.325 -0.766 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)Cn1cc(C(=O)NC)ccc1=O)C(=O)[O-] ZINC001594910076 1017071785 /nfs/dbraw/zinc/07/17/85/1017071785.db2.gz YRJHNNOOMNNSKX-TVQRCGJNSA-N -1 0 323.349 -0.177 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1c[nH]cn1 ZINC001594959859 1017071912 /nfs/dbraw/zinc/07/19/12/1017071912.db2.gz HZGPKUKMTAITBW-VIFPVBQESA-N -1 0 301.324 -0.948 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001595043339 1017074337 /nfs/dbraw/zinc/07/43/37/1017074337.db2.gz FSPNOLUMKKCVNU-QMMMGPOBSA-N -1 0 321.351 -0.319 20 0 DBADRM CCC(CC)[C@@H](C(=O)N[C@H](CO)C(=O)[O-])N1CCOCC1 ZINC001595105123 1017074458 /nfs/dbraw/zinc/07/44/58/1017074458.db2.gz AGTWNMJJPLLLGJ-NEPJUHHUSA-N -1 0 302.371 -0.315 20 0 DBADRM CCC(CC)N1C[C@@H](C(=O)NC[C@H](O)CC(=O)[O-])CC1=O ZINC001595117254 1017074730 /nfs/dbraw/zinc/07/47/30/1017074730.db2.gz VWUNHKYZBUVZCS-GXSJLCMTSA-N -1 0 300.355 -0.025 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)Cc2cc[nH]n2)c1[O-] ZINC001443763794 1007920983 /nfs/dbraw/zinc/92/09/83/1007920983.db2.gz VOVIZPPTGRLPIM-QMMMGPOBSA-N -1 0 320.353 -0.034 20 0 DBADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cnn(C[C@H](O)CO)c1 ZINC001595053907 1017074822 /nfs/dbraw/zinc/07/48/22/1017074822.db2.gz KZNYTTJHOBGWIL-NSHDSACASA-N -1 0 313.354 0.000 20 0 DBADRM CCC(CC)N1C[C@@H](C(=O)NC[C@@H](O)CC(=O)[O-])CC1=O ZINC001595117257 1017075080 /nfs/dbraw/zinc/07/50/80/1017075080.db2.gz VWUNHKYZBUVZCS-ONGXEEELSA-N -1 0 300.355 -0.025 20 0 DBADRM CCC(CC)(CNC(=O)c1cnn(C[C@@H](O)CO)c1)C(=O)[O-] ZINC001595076398 1017075098 /nfs/dbraw/zinc/07/50/98/1017075098.db2.gz CNTAOVLBZFWCGE-LLVKDONJSA-N -1 0 313.354 -0.143 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2)C(=O)[O-] ZINC001595130963 1017075992 /nfs/dbraw/zinc/07/59/92/1017075992.db2.gz FRMCCVJDOBYVFO-MRVPVSSYSA-N -1 0 319.321 -0.493 20 0 DBADRM CC[C@H](CN1CCOCC1)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001595131383 1017076282 /nfs/dbraw/zinc/07/62/82/1017076282.db2.gz SDPIOAVXXPHXKX-GRYCIOLGSA-N -1 0 300.355 -0.154 20 0 DBADRM CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001595139545 1017076333 /nfs/dbraw/zinc/07/63/33/1017076333.db2.gz RIMBLGNYDVHJAP-BDAKNGLRSA-N -1 0 322.325 -0.837 20 0 DBADRM O=C([O-])Cn1cc(C(=O)Nc2ccc(C3(O)COC3)cc2)nn1 ZINC001595145218 1017076728 /nfs/dbraw/zinc/07/67/28/1017076728.db2.gz WPAKNXSLSYEWHF-UHFFFAOYSA-N -1 0 318.289 -0.167 20 0 DBADRM CC[C@H](CN1CCOCC1)NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001595131584 1017076770 /nfs/dbraw/zinc/07/67/70/1017076770.db2.gz XLQKNIIOHZIALV-NEPJUHHUSA-N -1 0 315.370 -0.408 20 0 DBADRM CN(C(=O)CCc1n[nH]c(=O)[n-]c1=O)[C@H]1CCN(CCF)C1 ZINC001443812789 1007936437 /nfs/dbraw/zinc/93/64/37/1007936437.db2.gz PDLLXZVCIRKSOF-VIFPVBQESA-N -1 0 313.333 -0.282 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001443818274 1007940566 /nfs/dbraw/zinc/94/05/66/1007940566.db2.gz LUFAYZWDTFCQMY-IUCAKERBSA-N -1 0 310.358 -0.946 20 0 DBADRM CC[C@@H](COC(=O)CN1CCN(CC)C(=O)C1=O)C(=O)[O-] ZINC001595181117 1017077379 /nfs/dbraw/zinc/07/73/79/1017077379.db2.gz QWRZRDSBMZCNSU-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001595171207 1017078182 /nfs/dbraw/zinc/07/81/82/1017078182.db2.gz DIIUBOAQRZYLAB-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM CC[C@](COC)(NC(=O)Cn1c(C)cc(C)nc1=O)C(=O)[O-] ZINC001595189480 1017078307 /nfs/dbraw/zinc/07/83/07/1017078307.db2.gz NQLXKWVMHNNIRX-CQSZACIVSA-N -1 0 311.338 -0.144 20 0 DBADRM CC[C@@](COC)(NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)[O-] ZINC001595189752 1017078431 /nfs/dbraw/zinc/07/84/31/1017078431.db2.gz WHYFZCVWMUKROE-ZDUSSCGKSA-N -1 0 323.309 -0.933 20 0 DBADRM CC[C@@](COC)(NC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)[O-] ZINC001595188877 1017079313 /nfs/dbraw/zinc/07/93/13/1017079313.db2.gz VKVCSEMGKISOSJ-SKDRFNHKSA-N -1 0 305.352 -0.069 20 0 DBADRM CCC(=O)N(CC)[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001432529186 1007961556 /nfs/dbraw/zinc/96/15/56/1007961556.db2.gz VIYVOVKOQBCGIN-SNVBAGLBSA-N -1 0 322.365 -0.041 20 0 DBADRM CCCC(=O)N1CC[C@](O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001432802507 1008026322 /nfs/dbraw/zinc/02/63/22/1008026322.db2.gz NTWNKEIPLVJKPB-AWEZNQCLSA-N -1 0 310.354 -0.083 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@]2(O)CCN(C(=O)C(C)C)C2)c1[O-] ZINC001432807872 1008026913 /nfs/dbraw/zinc/02/69/13/1008026913.db2.gz VMRWGVOHZVNVAP-AWEZNQCLSA-N -1 0 310.354 -0.227 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)[C@H](C)C1CC1 ZINC001432949629 1008045908 /nfs/dbraw/zinc/04/59/08/1008045908.db2.gz QOFRIBHAOBKDBG-HTQZYQBOSA-N -1 0 323.353 -0.189 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC2(F)F)c1[O-] ZINC001444147985 1008050168 /nfs/dbraw/zinc/05/01/68/1008050168.db2.gz ONRAILZNIHIANJ-RNFRBKRXSA-N -1 0 318.280 -0.714 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)[C@H](O)C(C)C)c1[O-] ZINC001433168486 1008084320 /nfs/dbraw/zinc/08/43/20/1008084320.db2.gz ROJXRLIBJWRUTG-LLVKDONJSA-N -1 0 312.370 -0.029 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)CCCF)c1[O-] ZINC001444274279 1008111032 /nfs/dbraw/zinc/11/10/32/1008111032.db2.gz ZRESSLAAIJNTTG-MRVPVSSYSA-N -1 0 302.306 -0.620 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC23CC3)c1[O-] ZINC001444350866 1008141047 /nfs/dbraw/zinc/14/10/47/1008141047.db2.gz WINBDEMVIPKSFT-DTWKUNHWSA-N -1 0 308.338 -0.569 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC23CC3)c1[O-] ZINC001444350856 1008141573 /nfs/dbraw/zinc/14/15/73/1008141573.db2.gz WINBDEMVIPKSFT-BDAKNGLRSA-N -1 0 308.338 -0.569 20 0 DBADRM CN(C(=O)CCc1nnn[n-]1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC001444662833 1008214664 /nfs/dbraw/zinc/21/46/64/1008214664.db2.gz KTIBUGUXFYOYRM-NXEZZACHSA-N -1 0 315.399 -0.054 20 0 DBADRM CCC(=O)N[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)(C)C ZINC001444872903 1008254465 /nfs/dbraw/zinc/25/44/65/1008254465.db2.gz SXGOMIZLJQYWHX-QMMMGPOBSA-N -1 0 313.358 -0.254 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001444989576 1008268908 /nfs/dbraw/zinc/26/89/08/1008268908.db2.gz NYGBWICKYYXMHI-UHFFFAOYSA-N -1 0 301.372 -0.119 20 0 DBADRM CCC[C@H](NC(=O)CCC(=O)N1CCC(O)CC1)c1nnn[n-]1 ZINC001445348699 1008364262 /nfs/dbraw/zinc/36/42/62/1008364262.db2.gz URWTZLGDMBCTBO-NSHDSACASA-N -1 0 324.385 -0.079 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001445369746 1008367139 /nfs/dbraw/zinc/36/71/39/1008367139.db2.gz VVAJDOJVYPMOBF-UHFFFAOYSA-N -1 0 320.396 -0.457 20 0 DBADRM CC(=O)N(C)C[C@H]1CCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001445742714 1008428658 /nfs/dbraw/zinc/42/86/58/1008428658.db2.gz RXSYCWBVNPTHIO-SNVBAGLBSA-N -1 0 311.342 -0.451 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1ccn(C)c(=O)c1 ZINC001445773889 1008434603 /nfs/dbraw/zinc/43/46/03/1008434603.db2.gz VEHWVWJPUQHNBL-SECBINFHSA-N -1 0 320.353 -0.541 20 0 DBADRM CCOC(=O)c1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cn1 ZINC001445858336 1008440938 /nfs/dbraw/zinc/44/09/38/1008440938.db2.gz GDRQDQZINBWUBI-UHFFFAOYSA-N -1 0 307.266 -0.100 20 0 DBADRM CCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001445975428 1008455840 /nfs/dbraw/zinc/45/58/40/1008455840.db2.gz ZKLWYJNXGDFKCT-VHSXEESVSA-N -1 0 322.365 -0.089 20 0 DBADRM CNC(=O)[C@@H]1CCCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001446097984 1008473498 /nfs/dbraw/zinc/47/34/98/1008473498.db2.gz JHNKJPGFAUCXFB-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1Cc1nccs1 ZINC001446126451 1008479197 /nfs/dbraw/zinc/47/91/97/1008479197.db2.gz UDRXRHTZOOMKFU-QMMMGPOBSA-N -1 0 324.366 -0.464 20 0 DBADRM CNC(=O)NCC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C ZINC001446280963 1008497713 /nfs/dbraw/zinc/49/77/13/1008497713.db2.gz LSRRTWLWFNPSAZ-MRVPVSSYSA-N -1 0 304.347 -0.124 20 0 DBADRM CC[C@]1(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CCNC1=O ZINC001457589369 1008542799 /nfs/dbraw/zinc/54/27/99/1008542799.db2.gz IBNBUSUAUGPBCN-JTQLQIEISA-N -1 0 301.328 -0.937 20 0 DBADRM Cc1nc2ccnn2cc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001457586941 1008548013 /nfs/dbraw/zinc/54/80/13/1008548013.db2.gz BXGBOSWKIUQMHK-UHFFFAOYSA-N -1 0 321.322 -0.188 20 0 DBADRM CC(C)C(=O)N[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001457653451 1008568248 /nfs/dbraw/zinc/56/82/48/1008568248.db2.gz IGMJMQQJANAZSX-SECBINFHSA-N -1 0 313.358 -0.398 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1cccc(-n2cncn2)n1 ZINC001457669980 1008575104 /nfs/dbraw/zinc/57/51/04/1008575104.db2.gz HOTPQIUJSQANDW-UHFFFAOYSA-N -1 0 314.309 -0.151 20 0 DBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)[N-]N3CN=NC3=O)c2C1 ZINC001457714707 1008585760 /nfs/dbraw/zinc/58/57/60/1008585760.db2.gz ARMLTTSIUCPLAA-SECBINFHSA-N -1 0 319.325 -0.737 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001446603784 1008599457 /nfs/dbraw/zinc/59/94/57/1008599457.db2.gz OPKDWIDPSHNIOM-RTHLEPHNSA-N -1 0 300.274 -0.111 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)c1c[n-]ncc1=O ZINC001446641386 1008631955 /nfs/dbraw/zinc/63/19/55/1008631955.db2.gz IEROZEWYMCOVOR-WCBMZHEXSA-N -1 0 323.305 -0.251 20 0 DBADRM CC[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H](O)C(F)F ZINC001457862241 1008657634 /nfs/dbraw/zinc/65/76/34/1008657634.db2.gz VBKFJBXHPXBILX-IONNQARKSA-N -1 0 315.280 -0.408 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001457861080 1008658827 /nfs/dbraw/zinc/65/88/27/1008658827.db2.gz IMWBOGGMUPIGQP-QMMMGPOBSA-N -1 0 303.340 -0.052 20 0 DBADRM C[C@H](CNC(=O)[C@H](C)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001458245649 1008824877 /nfs/dbraw/zinc/82/48/77/1008824877.db2.gz GVMMMQBKJYROJP-RNFRBKRXSA-N -1 0 309.326 -0.437 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCCC12CC2 ZINC001446854942 1008826627 /nfs/dbraw/zinc/82/66/27/1008826627.db2.gz MNLBXZZOKVPBMM-JTQLQIEISA-N -1 0 321.381 -0.247 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC12CCCC2 ZINC001446906533 1008844446 /nfs/dbraw/zinc/84/44/46/1008844446.db2.gz QMVDQIRHCRYAJF-JTQLQIEISA-N -1 0 321.381 -0.247 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1C(=O)CC1CC1 ZINC001458773267 1008876063 /nfs/dbraw/zinc/87/60/63/1008876063.db2.gz SMTIZQFWIVHIBJ-VIFPVBQESA-N -1 0 309.326 -0.794 20 0 DBADRM CCC1(C(=O)N[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001447027207 1008879862 /nfs/dbraw/zinc/87/98/62/1008879862.db2.gz VESVBCJODDZHSB-MRVPVSSYSA-N -1 0 321.337 -0.196 20 0 DBADRM CCCCC(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001458867490 1008889257 /nfs/dbraw/zinc/88/92/57/1008889257.db2.gz HULUZDNDPLHMNI-UHFFFAOYSA-N -1 0 309.326 -0.148 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)Cc3cc[nH]n3)CC2)c1[O-] ZINC001458894218 1008894759 /nfs/dbraw/zinc/89/47/59/1008894759.db2.gz PSITXEVWRDSCNB-UHFFFAOYSA-N -1 0 318.337 -0.232 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)[C@]34C[C@H]3COC4)CC2)c1[O-] ZINC001458914295 1008896961 /nfs/dbraw/zinc/89/69/61/1008896961.db2.gz SPONBBPTMIDZJF-VFZGTOFNSA-N -1 0 320.349 -0.161 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001459033050 1008924081 /nfs/dbraw/zinc/92/40/81/1008924081.db2.gz OXTWRNKBSHTJBB-NKWVEPMBSA-N -1 0 307.310 -0.683 20 0 DBADRM Cc1nnc(Cn2nnc(C(=O)[N-]N3CCCNC3=O)c2C)o1 ZINC001447217847 1008956895 /nfs/dbraw/zinc/95/68/95/1008956895.db2.gz PHDSRTXECXRIQU-UHFFFAOYSA-N -1 0 320.313 -0.614 20 0 DBADRM NC(=O)CCCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001447308154 1009017005 /nfs/dbraw/zinc/01/70/05/1009017005.db2.gz XIDWRDDKAWSRPF-JTQLQIEISA-N -1 0 324.385 -0.363 20 0 DBADRM O=C(NCC1CCS(=O)(=O)CC1)c1c[n-]n2c1nccc2=O ZINC001447313563 1009023267 /nfs/dbraw/zinc/02/32/67/1009023267.db2.gz IBULMKONUORZGB-UHFFFAOYSA-N -1 0 324.362 -0.423 20 0 DBADRM COC(=O)NCC(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001447330498 1009035377 /nfs/dbraw/zinc/03/53/77/1009035377.db2.gz NICYNVQXHVOEQK-UHFFFAOYSA-N -1 0 314.346 -0.853 20 0 DBADRM COC(=O)c1cc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)n(C)n1 ZINC001447363719 1009048888 /nfs/dbraw/zinc/04/88/88/1009048888.db2.gz MYORTFGPGSXCGZ-SSDOTTSWSA-N -1 0 307.314 -0.405 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC001447367459 1009050554 /nfs/dbraw/zinc/05/05/54/1009050554.db2.gz YZWJJHMRSDMGIG-VIFPVBQESA-N -1 0 303.388 -0.024 20 0 DBADRM CCn1[n-]nnc1=NC(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC001460042870 1009068073 /nfs/dbraw/zinc/06/80/73/1009068073.db2.gz LEKYQRCUHZRHTP-UHFFFAOYSA-N -1 0 315.337 -0.002 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001447450366 1009087415 /nfs/dbraw/zinc/08/74/15/1009087415.db2.gz UETJXFYYOHIWIA-UEKVPHQBSA-N -1 0 323.397 -0.001 20 0 DBADRM CN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1nnn[n-]1 ZINC001461557713 1009140576 /nfs/dbraw/zinc/14/05/76/1009140576.db2.gz DCYHYRLBZOROSV-SNVBAGLBSA-N -1 0 314.305 -0.319 20 0 DBADRM Cn1cc(C(=O)C(=O)[N-]c2nc3c(cnn3C)c(=O)[nH]2)cn1 ZINC001461867651 1009150147 /nfs/dbraw/zinc/15/01/47/1009150147.db2.gz OQLDDSXJFQNJKL-UHFFFAOYSA-N -1 0 301.266 -0.376 20 0 DBADRM COC(=O)N[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001462734214 1009169676 /nfs/dbraw/zinc/16/96/76/1009169676.db2.gz YSSHXICTVRMMEZ-QMMMGPOBSA-N -1 0 320.309 -0.972 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC001463162944 1009198194 /nfs/dbraw/zinc/19/81/94/1009198194.db2.gz VZINVPFLCJEGQH-QMMMGPOBSA-N -1 0 312.326 -0.967 20 0 DBADRM C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C(=O)OC(C)(C)C ZINC001447643197 1009209631 /nfs/dbraw/zinc/20/96/31/1009209631.db2.gz FCLUSFJRRZRWSJ-QMMMGPOBSA-N -1 0 322.383 -0.454 20 0 DBADRM CC(C)c1oncc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001447645207 1009210512 /nfs/dbraw/zinc/21/05/12/1009210512.db2.gz MSKMLVBNXFMYIN-UHFFFAOYSA-N -1 0 303.340 -0.006 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(CO)c(F)c1 ZINC001447645208 1009211631 /nfs/dbraw/zinc/21/16/31/1009211631.db2.gz MTJPRUMNDPOTOB-UHFFFAOYSA-N -1 0 318.326 -0.486 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC001463635829 1009232889 /nfs/dbraw/zinc/23/28/89/1009232889.db2.gz MCXUKTQLZKLXRT-UHFFFAOYSA-N -1 0 301.328 -0.820 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H]1CCC[C@@H]1CO ZINC001463704161 1009234556 /nfs/dbraw/zinc/23/45/56/1009234556.db2.gz DRAORRLIJZLSFS-VXNVDRBHSA-N -1 0 303.340 -0.364 20 0 DBADRM COc1cccc(S(=O)(=O)NCc2nc(=O)o[n-]2)c1F ZINC001463821805 1009249546 /nfs/dbraw/zinc/24/95/46/1009249546.db2.gz YBJSTQQTOARBKK-UHFFFAOYSA-N -1 0 303.271 -0.011 20 0 DBADRM CN(C)C(=O)C=CC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001447743594 1009280393 /nfs/dbraw/zinc/28/03/93/1009280393.db2.gz NIBMJHCQLOHWPZ-BQYQJAHWSA-N -1 0 302.294 -0.049 20 0 DBADRM C[C@@]1(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CCC(=O)N1 ZINC001447746311 1009280777 /nfs/dbraw/zinc/28/07/77/1009280777.db2.gz UYJRIQDKZOPHGB-ZDUSSCGKSA-N -1 0 302.294 -0.025 20 0 DBADRM CN(C)c1nccc(CN2C(=O)N[C@H](CCC(=O)[O-])C2=O)n1 ZINC001598358866 1017256824 /nfs/dbraw/zinc/25/68/24/1017256824.db2.gz BWIAQOJAVCVFSY-SECBINFHSA-N -1 0 307.310 -0.172 20 0 DBADRM CN(C)c1ncncc1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598365577 1017257068 /nfs/dbraw/zinc/25/70/68/1017257068.db2.gz UNZCRPGXNFWADI-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)NCC(C)(C)C(=O)[O-] ZINC001598365663 1017257176 /nfs/dbraw/zinc/25/71/76/1017257176.db2.gz XCMDUOAUDBEQMG-UHFFFAOYSA-N -1 0 309.326 -0.292 20 0 DBADRM CN(C)c1noc(CN2C(=O)N[C@](C)(CCC(=O)[O-])C2=O)n1 ZINC001598364458 1017257499 /nfs/dbraw/zinc/25/74/99/1017257499.db2.gz KCFJRPOBQYEPLM-GFCCVEGCSA-N -1 0 311.298 -0.189 20 0 DBADRM CN(C)c1ncc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC001598359561 1017257804 /nfs/dbraw/zinc/25/78/04/1017257804.db2.gz VZQTUWPEAWRBTO-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM CN(C)c1ncc(CN2C(=O)N[C@H](CCC(=O)[O-])C2=O)n1C ZINC001598354034 1017257858 /nfs/dbraw/zinc/25/78/58/1017257858.db2.gz RACHMFDJYAICAY-SECBINFHSA-N -1 0 309.326 -0.229 20 0 DBADRM CN(C)c1noc(CNS(=O)(=O)CC2(C(=O)[O-])CCC2)n1 ZINC001598364457 1017257989 /nfs/dbraw/zinc/25/79/89/1017257989.db2.gz KBRGWFNAXSKDDZ-UHFFFAOYSA-N -1 0 318.355 -0.190 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)c2ccc(C(=O)[O-])[nH]2)n1 ZINC001598352514 1017258154 /nfs/dbraw/zinc/25/81/54/1017258154.db2.gz LQEWBNNSOCVUNK-UHFFFAOYSA-N -1 0 306.282 -0.097 20 0 DBADRM CN(C)c1cnc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cn1 ZINC001598347949 1017258207 /nfs/dbraw/zinc/25/82/07/1017258207.db2.gz AFFQENUTCFMMTN-SECBINFHSA-N -1 0 304.310 -0.309 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])n1 ZINC001598352728 1017258282 /nfs/dbraw/zinc/25/82/82/1017258282.db2.gz QFSAUQRLNNWVMS-JGVFFNPUSA-N -1 0 308.342 -0.107 20 0 DBADRM CN(C)c1ncnc2c1cc(C(=O)N1CC(O)(C(=O)[O-])C1)n2C ZINC001598360213 1017258640 /nfs/dbraw/zinc/25/86/40/1017258640.db2.gz PKWHJOBQQCAWPL-UHFFFAOYSA-N -1 0 319.321 -0.694 20 0 DBADRM NC(=O)NC[C@H]1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001464197593 1009299022 /nfs/dbraw/zinc/29/90/22/1009299022.db2.gz MUWYTPWHLOALPV-SSDOTTSWSA-N -1 0 314.371 -0.491 20 0 DBADRM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001464265660 1009302631 /nfs/dbraw/zinc/30/26/31/1009302631.db2.gz GYXSTKXHLCLINR-DTWKUNHWSA-N -1 0 311.342 -0.418 20 0 DBADRM O=C(Cn1cc(NC(=O)c2c[n-]ncc2=O)cn1)NC1CC1 ZINC001464310097 1009304217 /nfs/dbraw/zinc/30/42/17/1009304217.db2.gz IYEQZKZQULMFIY-UHFFFAOYSA-N -1 0 302.294 -0.090 20 0 DBADRM C[C@H](CNC(=O)c1ccc[nH]1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001447777398 1009305738 /nfs/dbraw/zinc/30/57/38/1009305738.db2.gz RSNFHEGQKCLCJO-MRVPVSSYSA-N -1 0 319.321 -0.638 20 0 DBADRM Cc1c(S(=O)(=O)[N-]c2nnn(C)n2)coc1C(=O)N(C)C ZINC001464428205 1009312865 /nfs/dbraw/zinc/31/28/65/1009312865.db2.gz IZYWPRLFNDCVKG-UHFFFAOYSA-N -1 0 314.327 -0.386 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001598375448 1017261941 /nfs/dbraw/zinc/26/19/41/1017261941.db2.gz YMGUFBDUDIHAEC-KOLCDFICSA-N -1 0 322.383 -0.891 20 0 DBADRM CN(CC(=O)NCC(C)(C)CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001598392068 1017265232 /nfs/dbraw/zinc/26/52/32/1017265232.db2.gz IKGNOVDITOQZLE-JTQLQIEISA-N -1 0 320.411 -0.278 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC001464697264 1009335103 /nfs/dbraw/zinc/33/51/03/1009335103.db2.gz RJAKFNHJAQIXBW-UHFFFAOYSA-N -1 0 316.261 -0.605 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC001464694542 1009336673 /nfs/dbraw/zinc/33/66/73/1009336673.db2.gz JZWVMRJIAWLZGP-UHFFFAOYSA-N -1 0 320.298 -0.432 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)cn1 ZINC001464744056 1009337553 /nfs/dbraw/zinc/33/75/53/1009337553.db2.gz WSUVUSVJGSITOL-SECBINFHSA-N -1 0 324.366 -0.527 20 0 DBADRM CN(CC(C)(C)O)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001598423896 1017266151 /nfs/dbraw/zinc/26/61/51/1017266151.db2.gz JGSRPSUUTSMLIJ-BONVTDFDSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001598432101 1017266978 /nfs/dbraw/zinc/26/69/78/1017266978.db2.gz AVJYSUKRRSUYDU-ABAIWWIYSA-N -1 0 312.366 -0.071 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCOC[C@@H]1CCOC1 ZINC001464854268 1009344436 /nfs/dbraw/zinc/34/44/36/1009344436.db2.gz HJZCWYPPDQVTEE-SNVBAGLBSA-N -1 0 314.342 -0.361 20 0 DBADRM CN(CC(F)(F)F)C(=O)CN1[C@@H](C(=O)[O-])CCS1(=O)=O ZINC001598429286 1017267333 /nfs/dbraw/zinc/26/73/33/1017267333.db2.gz CVNYOAAARCVGLT-ZCFIWIBFSA-N -1 0 318.273 -0.504 20 0 DBADRM CN(C[C@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)c1ccon1 ZINC001598437333 1017269098 /nfs/dbraw/zinc/26/90/98/1017269098.db2.gz WQPZDNFHAXUUNX-MRVPVSSYSA-N -1 0 321.293 -0.870 20 0 DBADRM CN(CC(F)F)C(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598430056 1017267858 /nfs/dbraw/zinc/26/78/58/1017267858.db2.gz BHTSABFGKJMSDO-LBPRGKRZSA-N -1 0 319.264 -0.458 20 0 DBADRM CN(CC(N)=O)Cc1ccccc1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598430634 1017267978 /nfs/dbraw/zinc/26/79/78/1017267978.db2.gz VXURFVGSSPDMSV-QWHCGFSZSA-N -1 0 319.361 -0.059 20 0 DBADRM CN(CC(C)(CO)CO)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001598425967 1017268028 /nfs/dbraw/zinc/26/80/28/1017268028.db2.gz OXHIVAQUECQAGD-UHFFFAOYSA-N -1 0 309.384 -0.506 20 0 DBADRM CN(CC(F)F)C1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001465459036 1009372909 /nfs/dbraw/zinc/37/29/09/1009372909.db2.gz QIFCWHIXVWHECW-UHFFFAOYSA-N -1 0 319.312 -0.123 20 0 DBADRM Cn1[n-]c(C(=O)NCc2cccc(OCC(N)=O)c2)cc1=O ZINC001465532486 1009375197 /nfs/dbraw/zinc/37/51/97/1009375197.db2.gz FHEDRDZCMUMVIG-UHFFFAOYSA-N -1 0 304.306 -0.080 20 0 DBADRM C[C@H](CNC(=O)c1c[n-]n2c1nccc2=O)c1nncn1C ZINC001447890618 1009375669 /nfs/dbraw/zinc/37/56/69/1009375669.db2.gz JWNABZCWGUGLPO-MRVPVSSYSA-N -1 0 301.310 -0.315 20 0 DBADRM CCC[C@H](NC(=O)c1cn(C[C@@H](O)CC)nn1)c1nnn[n-]1 ZINC001465685480 1009381848 /nfs/dbraw/zinc/38/18/48/1009381848.db2.gz RXAVARKLCJNRKA-IUCAKERBSA-N -1 0 308.346 -0.167 20 0 DBADRM O=C(CCc1nnn[n-]1)Nc1ccc(CC(=O)NCCO)cc1 ZINC001466013718 1009395642 /nfs/dbraw/zinc/39/56/42/1009395642.db2.gz UCOKLDSAEKWHPO-UHFFFAOYSA-N -1 0 318.337 -0.578 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C[C@H]1O ZINC001466148797 1009404202 /nfs/dbraw/zinc/40/42/02/1009404202.db2.gz MKAJRVJIOXRXMQ-GZMMTYOYSA-N -1 0 304.306 -0.281 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC001466258885 1009410965 /nfs/dbraw/zinc/41/09/65/1009410965.db2.gz UNKQNHIUDPIMAJ-IYSWYEEDSA-N -1 0 310.232 -0.397 20 0 DBADRM O=C([C@H]1CCc2nncn2C1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001466291206 1009411096 /nfs/dbraw/zinc/41/10/96/1009411096.db2.gz VXHUWEBSNHQCAN-ZJUUUORDSA-N -1 0 302.342 -0.240 20 0 DBADRM O=C(NCC1(CO)CCOCC1)c1c[n-]n2c1nccc2=O ZINC001466259008 1009412003 /nfs/dbraw/zinc/41/20/03/1009412003.db2.gz KIOZIRMJWGXRTP-UHFFFAOYSA-N -1 0 306.322 -0.459 20 0 DBADRM COc1ccc(-n2cc(C(=O)NCc3nc(=O)o[n-]3)nn2)cc1 ZINC001466307486 1009415768 /nfs/dbraw/zinc/41/57/68/1009415768.db2.gz QQCXSLYZSYOGQI-UHFFFAOYSA-N -1 0 316.277 -0.118 20 0 DBADRM COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001466435388 1009426391 /nfs/dbraw/zinc/42/63/91/1009426391.db2.gz SIKSPCSXJJIIFJ-AMIZOPFISA-N -1 0 312.326 -0.073 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001466435396 1009426845 /nfs/dbraw/zinc/42/68/45/1009426845.db2.gz SIKSPCSXJJIIFJ-SDBXPKJASA-N -1 0 312.326 -0.073 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1nnc(-c2ccncc2)[nH]1 ZINC001466547095 1009429013 /nfs/dbraw/zinc/42/90/13/1009429013.db2.gz FVZZXELSETZBMG-UHFFFAOYSA-N -1 0 314.313 -0.383 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC001466545687 1009429215 /nfs/dbraw/zinc/42/92/15/1009429215.db2.gz CPQLEPKSCIOSAU-UHFFFAOYSA-N -1 0 307.358 -0.363 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCOC[C@@H]1c1ccnn1C ZINC001466547324 1009429265 /nfs/dbraw/zinc/42/92/65/1009429265.db2.gz MTRPCKGMCAACME-SNVBAGLBSA-N -1 0 306.330 -0.546 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1 ZINC001466545656 1009429407 /nfs/dbraw/zinc/42/94/07/1009429407.db2.gz NUGZSQWAISTBNU-NSHDSACASA-N -1 0 315.351 -0.251 20 0 DBADRM CCN(C(=O)N=c1nn[n-]n1CC)[C@H](C)CS(C)(=O)=O ZINC001466547646 1009434344 /nfs/dbraw/zinc/43/43/44/1009434344.db2.gz ZMNXAJUSDCXZSX-MRVPVSSYSA-N -1 0 304.376 -0.598 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001466838202 1009450924 /nfs/dbraw/zinc/45/09/24/1009450924.db2.gz UEFZGKVMMKFUTF-WDEREUQCSA-N -1 0 318.395 -0.084 20 0 DBADRM C[C@@H](CNC(=O)C[C@](C)(O)C1CC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448014166 1009461844 /nfs/dbraw/zinc/46/18/44/1009461844.db2.gz OTEBVPJAPSULNM-XPTSAGLGSA-N -1 0 311.386 -0.002 20 0 DBADRM O=C(C[C@@H]1CCC(=O)NC1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001448015725 1009462540 /nfs/dbraw/zinc/46/25/40/1009462540.db2.gz GSVOIHURMYBDJR-DTWKUNHWSA-N -1 0 310.383 -0.268 20 0 DBADRM O=C([C@@H]1CSCC(=O)N1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001448020815 1009466470 /nfs/dbraw/zinc/46/64/70/1009466470.db2.gz PPWGOCHYLQBPAO-NKWVEPMBSA-N -1 0 314.396 -0.952 20 0 DBADRM COc1cc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)nn1C ZINC001467279294 1009479660 /nfs/dbraw/zinc/47/96/60/1009479660.db2.gz BNPJJEWWAVYRHN-QMMMGPOBSA-N -1 0 309.355 -0.128 20 0 DBADRM C[C@]1(C(=O)NCCc2n[n-]c(=S)o2)CCCS1(=O)=O ZINC001467314687 1009483294 /nfs/dbraw/zinc/48/32/94/1009483294.db2.gz VDKVNYWQSNMRQM-SNVBAGLBSA-N -1 0 305.381 -0.016 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)NCCc1n[n-]c(=S)o1 ZINC001467314658 1009484262 /nfs/dbraw/zinc/48/42/62/1009484262.db2.gz UGENDOAWOMFQQT-ZDUSSCGKSA-N -1 0 324.362 -0.370 20 0 DBADRM Cn1cnc(C=CC(=O)N2CCC(O)(c3nnn[n-]3)CC2)c1 ZINC001467455150 1009495321 /nfs/dbraw/zinc/49/53/21/1009495321.db2.gz ANWLYASYZZJQDP-IHWYPQMZSA-N -1 0 303.326 -0.543 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cccc(Cn2cncn2)c1 ZINC001467598441 1009510785 /nfs/dbraw/zinc/51/07/85/1009510785.db2.gz PUVOBPYXGKOVTP-UHFFFAOYSA-N -1 0 314.305 -0.025 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1sccc1-n1ccnn1 ZINC001467598604 1009510977 /nfs/dbraw/zinc/51/09/77/1009510977.db2.gz QADVWIXWNWLPRV-UHFFFAOYSA-N -1 0 306.307 -0.022 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCOCC(F)(F)C(F)F ZINC001467762357 1009519473 /nfs/dbraw/zinc/51/94/73/1009519473.db2.gz ZBRVJZHDMMNBLH-UHFFFAOYSA-N -1 0 316.211 -0.278 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H](C)[S@]1=O ZINC001467925806 1009531076 /nfs/dbraw/zinc/53/10/76/1009531076.db2.gz PKFSMSDQOFMRMJ-PNOQFWAASA-N -1 0 302.356 -0.553 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC001468124338 1009543720 /nfs/dbraw/zinc/54/37/20/1009543720.db2.gz CBYLKIKNZVMJMH-SSDOTTSWSA-N -1 0 319.321 -0.001 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c(=O)[nH]c1=O ZINC001448133321 1009553273 /nfs/dbraw/zinc/55/32/73/1009553273.db2.gz SHUQJDWZBOYNBS-SSDOTTSWSA-N -1 0 305.298 -0.981 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC001468287686 1009554006 /nfs/dbraw/zinc/55/40/06/1009554006.db2.gz WUDPDTROUXVFPH-UHFFFAOYSA-N -1 0 315.351 -0.433 20 0 DBADRM Cn1nc(Br)cc1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001468310804 1009559730 /nfs/dbraw/zinc/55/97/30/1009559730.db2.gz MIWYVTAACNPIMN-UHFFFAOYSA-N -1 0 317.103 -0.176 20 0 DBADRM CN(C[C@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)[C@@H]1CC12CC2 ZINC001598435827 1017269552 /nfs/dbraw/zinc/26/95/52/1017269552.db2.gz HTNTYTPBOJAQDH-ZJUUUORDSA-N -1 0 320.349 -0.372 20 0 DBADRM CN(C[C@@H](O)CN1CCO[C@@H](C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001598436663 1017269611 /nfs/dbraw/zinc/26/96/11/1017269611.db2.gz QDWSNPNCFMRXSR-GHMZBOCLSA-N -1 0 318.370 0.000 20 0 DBADRM CN(C[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)c1ccoc1 ZINC001598435536 1017270135 /nfs/dbraw/zinc/27/01/35/1017270135.db2.gz GELBVNPLRVKPSN-JTQLQIEISA-N -1 0 320.305 -0.265 20 0 DBADRM CN(CC1CC1)C(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598448115 1017270941 /nfs/dbraw/zinc/27/09/41/1017270941.db2.gz LYACBWROBFZKPD-AWEZNQCLSA-N -1 0 309.322 -0.313 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)CC(N)=O)c1ccnc(C(=O)[O-])n1 ZINC001598460023 1017270956 /nfs/dbraw/zinc/27/09/56/1017270956.db2.gz DYHBLVYDZXVOSV-VIFPVBQESA-N -1 0 321.337 -0.523 20 0 DBADRM CN(C[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)[C@@H]1CC12CC2 ZINC001598435822 1017270986 /nfs/dbraw/zinc/27/09/86/1017270986.db2.gz HTNTYTPBOJAQDH-UWVGGRQHSA-N -1 0 320.349 -0.372 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@@]12CCOC2=O ZINC001598470508 1017272213 /nfs/dbraw/zinc/27/22/13/1017272213.db2.gz MGNPPWVXTQCCMS-NSHDSACASA-N -1 0 306.340 -0.581 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC001598470111 1017272780 /nfs/dbraw/zinc/27/27/80/1017272780.db2.gz HWZNIPMSRIYBKJ-DGCLKSJQSA-N -1 0 314.363 -0.114 20 0 DBADRM CN(C[C@@H]1COCCO1)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598467410 1017273024 /nfs/dbraw/zinc/27/30/24/1017273024.db2.gz MELLERIPPMSOJO-SSDOTTSWSA-N -1 0 305.312 -0.856 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)c1cncs1 ZINC001448163981 1009580682 /nfs/dbraw/zinc/58/06/82/1009580682.db2.gz RXTACSKSICVRME-UHFFFAOYSA-N -1 0 324.366 -0.666 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598467039 1017273096 /nfs/dbraw/zinc/27/30/96/1017273096.db2.gz GXQVBJVOVSSOJX-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)[N-]OC/C=C/Cl ZINC001468690102 1009582271 /nfs/dbraw/zinc/58/22/71/1009582271.db2.gz DCZRBZYUKSEZHY-NSCUHMNNSA-N -1 0 321.742 -0.345 20 0 DBADRM CN(CCCCCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)C(N)=O ZINC001598475687 1017274895 /nfs/dbraw/zinc/27/48/95/1017274895.db2.gz HJCGTNBDLDUDTN-ZJUUUORDSA-N -1 0 313.354 -0.673 20 0 DBADRM CN(CCCNC(=O)CCNC(N)=O)c1ccnc(C(=O)[O-])n1 ZINC001598479341 1017274908 /nfs/dbraw/zinc/27/49/08/1017274908.db2.gz HSRIEUNQWWGGOT-UHFFFAOYSA-N -1 0 324.341 -0.824 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)N3C[C@H](CO)[C@H](O)C3)cc2=O)cc1 ZINC001468869916 1009595182 /nfs/dbraw/zinc/59/51/82/1009595182.db2.gz SWMWNEKSPBZSSJ-BXUZGUMPSA-N -1 0 317.345 -0.101 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)N3C[C@H](O)[C@H](CO)C3)cc2=O)cc1 ZINC001468869919 1009595933 /nfs/dbraw/zinc/59/59/33/1009595933.db2.gz SWMWNEKSPBZSSJ-FZMZJTMJSA-N -1 0 317.345 -0.101 20 0 DBADRM CN(CCN1CCCS1(=O)=O)c1cncc(C(=O)[O-])n1 ZINC001598487989 1017282577 /nfs/dbraw/zinc/28/25/77/1017282577.db2.gz BXROFFKDRWNAAQ-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1cnc[nH]c1=O ZINC001598478562 1017275780 /nfs/dbraw/zinc/27/57/80/1017275780.db2.gz BDNYAGDQFOWHEI-IUCAKERBSA-N -1 0 322.321 -0.519 20 0 DBADRM CN(CCCNC(=O)c1c[nH]c(=O)n1C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598481174 1017276741 /nfs/dbraw/zinc/27/67/41/1017276741.db2.gz IMVBEWJCOFGBDZ-BDAKNGLRSA-N -1 0 324.337 -0.575 20 0 DBADRM CN(CCCNC(=O)c1cncn1C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598481155 1017276803 /nfs/dbraw/zinc/27/68/03/1017276803.db2.gz IFKIOTZZMOXTBR-UWVGGRQHSA-N -1 0 308.338 -0.281 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)CCn1cccn1 ZINC001598480544 1017276855 /nfs/dbraw/zinc/27/68/55/1017276855.db2.gz WTDFYGVCXYWSNG-NWDGAFQWSA-N -1 0 322.365 -0.041 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)[C@H]1CC(C)(C)OC1=O ZINC001598480260 1017277066 /nfs/dbraw/zinc/27/70/66/1017277066.db2.gz IGXWMBBQCQYAAV-QMMMGPOBSA-N -1 0 308.356 -0.336 20 0 DBADRM CN(CCCNC(=O)Cc1nc[nH]n1)c1ccnc(C(=O)[O-])n1 ZINC001598480334 1017277385 /nfs/dbraw/zinc/27/73/85/1017277385.db2.gz IPRFBQVLMDPLKU-UHFFFAOYSA-N -1 0 319.325 -0.522 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc2nnnn2n1 ZINC001598480002 1017277711 /nfs/dbraw/zinc/27/77/11/1017277711.db2.gz QHIXIHPPTSTQNU-BDAKNGLRSA-N -1 0 319.325 -0.818 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1cncnc1 ZINC001598480726 1017277841 /nfs/dbraw/zinc/27/78/41/1017277841.db2.gz ZNVQXNLETJCMOU-GHMZBOCLSA-N -1 0 306.322 -0.224 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC(OCCCO)CC1 ZINC001598481522 1017278460 /nfs/dbraw/zinc/27/84/60/1017278460.db2.gz ZAOJVFZYCAIAGJ-UHFFFAOYSA-N -1 0 324.399 -0.499 20 0 DBADRM CN(CCN(C)c1ncc(C(=O)[O-])cn1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001598487499 1017278879 /nfs/dbraw/zinc/27/88/79/1017278879.db2.gz RWAHJWZYKYLONP-ZJUUUORDSA-N -1 0 321.337 -0.809 20 0 DBADRM CN(CCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598481422 1017279034 /nfs/dbraw/zinc/27/90/34/1017279034.db2.gz RICFADGQWDKOPR-KKJSVHSVSA-N -1 0 310.350 -0.436 20 0 DBADRM CN(CCCO)C(=O)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001598483610 1017279650 /nfs/dbraw/zinc/27/96/50/1017279650.db2.gz WEMWBWTZAZJDOH-UHFFFAOYSA-N -1 0 308.334 -0.116 20 0 DBADRM CN(CCCNC(=O)c1ccoc1CC(=O)[O-])S(C)(=O)=O ZINC001598481419 1017279666 /nfs/dbraw/zinc/27/96/66/1017279666.db2.gz QXESBQYWQLJXGS-UHFFFAOYSA-N -1 0 318.351 -0.082 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1cc[n+]([O-])cc1 ZINC001598486616 1017279964 /nfs/dbraw/zinc/27/99/64/1017279964.db2.gz SMHAJNDTMBRPHX-RYUDHWBXSA-N -1 0 321.333 -0.429 20 0 DBADRM CN(CCCNc1ncc(C(=O)[O-])cn1)C(=O)c1cnnn1C ZINC001598483099 1017280145 /nfs/dbraw/zinc/28/01/45/1017280145.db2.gz NCMPNBLGYBNEJV-UHFFFAOYSA-N -1 0 319.325 -0.123 20 0 DBADRM CN(CCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598481424 1017280310 /nfs/dbraw/zinc/28/03/10/1017280310.db2.gz RICFADGQWDKOPR-RNWYCLNJSA-N -1 0 310.350 -0.436 20 0 DBADRM CN(CCCO)C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001598483543 1017280530 /nfs/dbraw/zinc/28/05/30/1017280530.db2.gz TUTCMCORKZUHAV-UHFFFAOYSA-N -1 0 310.306 -0.071 20 0 DBADRM CN(CCN1CCCC1=O)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001598487799 1017281802 /nfs/dbraw/zinc/28/18/02/1017281802.db2.gz JQZHMIJQPMZMNS-UHFFFAOYSA-N -1 0 317.323 -0.384 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001598488200 1017281910 /nfs/dbraw/zinc/28/19/10/1017281910.db2.gz LRCYXDQYUIPSOT-MGCOHNPYSA-N -1 0 319.383 -0.474 20 0 DBADRM CN(CCNC(=O)Cc1ncc[nH]1)c1ncc(C(=O)[O-])cn1 ZINC001598489994 1017282014 /nfs/dbraw/zinc/28/20/14/1017282014.db2.gz CXNAACCGUZRXFB-UHFFFAOYSA-N -1 0 304.310 -0.307 20 0 DBADRM CN(CCNC(=O)CCc1nnc[nH]1)c1ccnc(C(=O)[O-])n1 ZINC001598489849 1017282959 /nfs/dbraw/zinc/28/29/59/1017282959.db2.gz AIBXWMQQZVQTHB-UHFFFAOYSA-N -1 0 319.325 -0.522 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1CCn2cncc2C1 ZINC001469327617 1009646598 /nfs/dbraw/zinc/64/65/98/1009646598.db2.gz ZRIZOLUGRZFXCW-VIFPVBQESA-N -1 0 313.321 -0.601 20 0 DBADRM Cn1ccnc1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)(C)CO ZINC001469488712 1009656199 /nfs/dbraw/zinc/65/61/99/1009656199.db2.gz WAHVGHQYVBSZTE-VIFPVBQESA-N -1 0 324.341 -0.701 20 0 DBADRM C[C@H](NC(=O)CCn1cncn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001448273350 1009666478 /nfs/dbraw/zinc/66/64/78/1009666478.db2.gz LQCBBFVUDNZDJJ-VIFPVBQESA-N -1 0 320.357 -0.871 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CCc1nnn[n-]1)c1ccncc1 ZINC001469573552 1009673765 /nfs/dbraw/zinc/67/37/65/1009673765.db2.gz JONJZDAEYJQCHX-SNVBAGLBSA-N -1 0 304.310 -0.052 20 0 DBADRM O=C([N-]Oc1ccc(F)cc1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001469940075 1009701209 /nfs/dbraw/zinc/70/12/09/1009701209.db2.gz KYLWZPZTQNYFRI-VIFPVBQESA-N -1 0 302.283 -0.851 20 0 DBADRM COC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CCOCC1 ZINC001470063957 1009709792 /nfs/dbraw/zinc/70/97/92/1009709792.db2.gz LMLHPBVZFJREHC-SECBINFHSA-N -1 0 300.315 -0.753 20 0 DBADRM COCCn1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001448345971 1009729288 /nfs/dbraw/zinc/72/92/88/1009729288.db2.gz MDGDPQDBHUBNFR-UHFFFAOYSA-N -1 0 321.341 -0.834 20 0 DBADRM CCOc1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)[nH]n1 ZINC001448348784 1009731088 /nfs/dbraw/zinc/73/10/88/1009731088.db2.gz OEZOWNNSWSPZRE-UHFFFAOYSA-N -1 0 307.314 -0.555 20 0 DBADRM O=C(CCCn1cncn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448354790 1009731688 /nfs/dbraw/zinc/73/16/88/1009731688.db2.gz YTESDSWJKRQACA-UHFFFAOYSA-N -1 0 306.330 -0.918 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2ccc(-c3nn[nH]n3)cn2)C(=O)N1C ZINC001470310392 1009732238 /nfs/dbraw/zinc/73/22/38/1009732238.db2.gz WRPOBDAWTLSLAV-ZCFIWIBFSA-N -1 0 316.281 -0.811 20 0 DBADRM COCn1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001448354512 1009733656 /nfs/dbraw/zinc/73/36/56/1009733656.db2.gz WVHMYDJZYOYUJO-UHFFFAOYSA-N -1 0 307.314 -0.876 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N1CCC(c2nnc[nH]2)CC1 ZINC001470335405 1009737567 /nfs/dbraw/zinc/73/75/67/1009737567.db2.gz BNPFQQKITXQVJA-UHFFFAOYSA-N -1 0 318.337 -0.549 20 0 DBADRM CSCC[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)c1nnn[n-]1 ZINC001470330089 1009737629 /nfs/dbraw/zinc/73/76/29/1009737629.db2.gz XNXJOZVXDGCFLL-BQBZGAKWSA-N -1 0 322.416 -0.952 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@H]1c1nc[nH]n1 ZINC001470365106 1009741451 /nfs/dbraw/zinc/74/14/51/1009741451.db2.gz FDLQLEIIKDLIRY-QMMMGPOBSA-N -1 0 307.314 -0.049 20 0 DBADRM CN(C(=O)CNS(=O)(=O)c1ccc(F)cc1)c1nnn[n-]1 ZINC001470569255 1009762881 /nfs/dbraw/zinc/76/28/81/1009762881.db2.gz ZREFJHIDEGJCSL-UHFFFAOYSA-N -1 0 314.302 -0.720 20 0 DBADRM CN(C(=O)[C@@H](CS(C)(=O)=O)c1ccccc1)c1nnn[n-]1 ZINC001470573206 1009763847 /nfs/dbraw/zinc/76/38/47/1009763847.db2.gz ZFYASSTXCJLOOZ-JTQLQIEISA-N -1 0 309.351 -0.009 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001470582843 1009766957 /nfs/dbraw/zinc/76/69/57/1009766957.db2.gz DWJVLJPDUFVFNL-UHFFFAOYSA-N -1 0 307.310 -0.067 20 0 DBADRM C[C@@H](O)[C@@H](O)CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC001470644932 1009773002 /nfs/dbraw/zinc/77/30/02/1009773002.db2.gz NOPSBUOTBWSLED-KCJUWKMLSA-N -1 0 302.352 -0.470 20 0 DBADRM Cn1ccc(-c2cc(C(=O)[N-]n3ccc(=O)[nH]c3=O)no2)n1 ZINC001470661436 1009774791 /nfs/dbraw/zinc/77/47/91/1009774791.db2.gz PECOEUWSTWPRKA-UHFFFAOYSA-N -1 0 302.250 -0.279 20 0 DBADRM COC(=O)CCSCCNC(=O)CCCc1nnn[n-]1 ZINC001448454223 1009781279 /nfs/dbraw/zinc/78/12/79/1009781279.db2.gz SXVANJQXVAXRKA-UHFFFAOYSA-N -1 0 301.372 -0.065 20 0 DBADRM O=C(CCc1nnn[n-]1)NCc1nnc(C2CCOCC2)[nH]1 ZINC001470991835 1009801061 /nfs/dbraw/zinc/80/10/61/1009801061.db2.gz ZFUDNPKPBLIXAT-UHFFFAOYSA-N -1 0 306.330 -0.539 20 0 DBADRM COCC[C@]1(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCOC1 ZINC001448489410 1009803556 /nfs/dbraw/zinc/80/35/56/1009803556.db2.gz PLRBJHCSQNATQA-ZDUSSCGKSA-N -1 0 314.342 -0.219 20 0 DBADRM C[C@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CCC1 ZINC001448594410 1009823164 /nfs/dbraw/zinc/82/31/64/1009823164.db2.gz JYRKKJZWCFIIFI-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@H](NC(=O)Cn1cnnn1)C(=O)[N-]OCCCC(F)(F)F ZINC001471407121 1009823452 /nfs/dbraw/zinc/82/34/52/1009823452.db2.gz CKLBPUKYGKFGIA-ZETCQYMHSA-N -1 0 324.263 -0.432 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001471459155 1009824983 /nfs/dbraw/zinc/82/49/83/1009824983.db2.gz BJSZJELUCJKDPO-DTWKUNHWSA-N -1 0 304.310 -0.073 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)cn1 ZINC001471461358 1009825245 /nfs/dbraw/zinc/82/52/45/1009825245.db2.gz VWKUMOCTWSQZDH-ZETCQYMHSA-N -1 0 303.282 -0.594 20 0 DBADRM O=C(CNC(=O)NCc1ccco1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001471459511 1009825330 /nfs/dbraw/zinc/82/53/30/1009825330.db2.gz GCYXSQPJQUAGJX-VIFPVBQESA-N -1 0 319.325 -0.392 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001471659555 1009836680 /nfs/dbraw/zinc/83/66/80/1009836680.db2.gz JLYPDSIWUMZWON-PBINXNQUSA-N -1 0 305.338 -0.063 20 0 DBADRM CN(CCNC(=O)C1CCCC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001448666026 1009841425 /nfs/dbraw/zinc/84/14/25/1009841425.db2.gz DGULXVBPJNTLSO-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N(C)CCNC(=O)C1=COCCO1 ZINC001448688924 1009846666 /nfs/dbraw/zinc/84/66/66/1009846666.db2.gz ADBBMELLJKEKRT-UHFFFAOYSA-N -1 0 322.321 -0.433 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CCn2cc(C)nc2C1)c1nnn[n-]1 ZINC001471845380 1009848399 /nfs/dbraw/zinc/84/83/99/1009848399.db2.gz LHTRCVCLEWAUEG-VHSXEESVSA-N -1 0 305.342 -0.229 20 0 DBADRM COC[C@@H](NC(=O)c1[nH]ncc1Br)c1nnn[n-]1 ZINC001471845170 1009848683 /nfs/dbraw/zinc/84/86/83/1009848683.db2.gz GKMFTWQOSIRAGS-RXMQYKEDSA-N -1 0 316.119 -0.197 20 0 DBADRM CCCOc1ccnc(CC(=O)N[C@H](COC)c2nnn[n-]2)n1 ZINC001471845093 1009848687 /nfs/dbraw/zinc/84/86/87/1009848687.db2.gz DANPXJWCHJBUBD-SECBINFHSA-N -1 0 321.341 -0.175 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CCn2cc(C)nc2C1)c1nnn[n-]1 ZINC001471845381 1009849197 /nfs/dbraw/zinc/84/91/97/1009849197.db2.gz LHTRCVCLEWAUEG-ZJUUUORDSA-N -1 0 305.342 -0.229 20 0 DBADRM COC[C@H](NC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)c1nnn[n-]1 ZINC001471844871 1009849256 /nfs/dbraw/zinc/84/92/56/1009849256.db2.gz BKVMXAKREMDYSW-FXQIFTODSA-N -1 0 305.360 -0.927 20 0 DBADRM COC[C@H](NC(=O)c1ccoc1CC(=O)OC)c1nnn[n-]1 ZINC001471845323 1009849643 /nfs/dbraw/zinc/84/96/43/1009849643.db2.gz JROZMZOFLQYNJX-QMMMGPOBSA-N -1 0 309.282 -0.374 20 0 DBADRM COC[C@@H](NC(=O)Cn1ccc(C(F)F)n1)c1nnn[n-]1 ZINC001471845143 1009849702 /nfs/dbraw/zinc/84/97/02/1009849702.db2.gz FRDLOFJFEQUQIE-SSDOTTSWSA-N -1 0 301.257 -0.162 20 0 DBADRM COC[C@H](NC(=O)c1[nH]ncc1Br)c1nnn[n-]1 ZINC001471845171 1009849770 /nfs/dbraw/zinc/84/97/70/1009849770.db2.gz GKMFTWQOSIRAGS-YFKPBYRVSA-N -1 0 316.119 -0.197 20 0 DBADRM COC[C@@H](NC(=O)Cc1ccc(C(N)=O)cc1)c1nnn[n-]1 ZINC001471846583 1009849786 /nfs/dbraw/zinc/84/97/86/1009849786.db2.gz VWUWFFGTDZPVIC-SNVBAGLBSA-N -1 0 304.310 -0.655 20 0 DBADRM NS(=O)(=O)CCCC(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001471853311 1009850731 /nfs/dbraw/zinc/85/07/31/1009850731.db2.gz IXPOWRULUICWAN-VIFPVBQESA-N -1 0 316.387 -0.951 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001471854741 1009851006 /nfs/dbraw/zinc/85/10/06/1009851006.db2.gz YDHNSTRNXFSOAL-SNVBAGLBSA-N -1 0 320.353 -0.480 20 0 DBADRM CN(C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)[C@@H]1COC[C@H]1O ZINC001471918779 1009855032 /nfs/dbraw/zinc/85/50/32/1009855032.db2.gz LEPCDSAOCJWTQY-GHMZBOCLSA-N -1 0 320.305 -0.902 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CC2(CCOCC2)CC[C@H]1CO ZINC001471986909 1009860318 /nfs/dbraw/zinc/86/03/18/1009860318.db2.gz JOYVMUQKXGJAKU-NSHDSACASA-N -1 0 309.370 -0.088 20 0 DBADRM CC(C)CNC(=O)C1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001472174069 1009870821 /nfs/dbraw/zinc/87/08/21/1009870821.db2.gz XTCNBHUJFRNWSE-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cc1ccccc1NS(C)(=O)=O ZINC001472186784 1009872618 /nfs/dbraw/zinc/87/26/18/1009872618.db2.gz ZKLGSJNXNCYLSM-UHFFFAOYSA-N -1 0 315.351 -0.606 20 0 DBADRM Cc1nc(C(=O)N(C)CCNC(=O)c2[nH]nc(C)c2[O-])c[nH]1 ZINC001448796727 1009879098 /nfs/dbraw/zinc/87/90/98/1009879098.db2.gz UOIRLWAWXMDQMK-UHFFFAOYSA-N -1 0 306.326 -0.043 20 0 DBADRM Cc1cn(C)nc1C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001448797415 1009881451 /nfs/dbraw/zinc/88/14/51/1009881451.db2.gz YMUQKBZNCLGLLJ-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)c1n[nH]c(=O)[n-]1 ZINC001472629067 1009892779 /nfs/dbraw/zinc/89/27/79/1009892779.db2.gz WWHVHCDVQWTKEM-ZCFIWIBFSA-N -1 0 306.282 -0.242 20 0 DBADRM O=C(CCc1ccncc1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001448855346 1009976734 /nfs/dbraw/zinc/97/67/34/1009976734.db2.gz FXAVCQQIQNJVCV-NSHDSACASA-N -1 0 320.353 -0.895 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CCOCCO ZINC001475004301 1009991607 /nfs/dbraw/zinc/99/16/07/1009991607.db2.gz FETHWUAHIOVYDG-KRWDZBQOSA-N -1 0 302.418 -0.274 20 0 DBADRM C[S@](=O)(=NS(=O)(=O)[N-][C@H]1CNC(=O)C1)c1ccccc1 ZINC001475171343 1010004969 /nfs/dbraw/zinc/00/49/69/1010004969.db2.gz FZUXCVYMBWMEBC-AYLIAGHASA-N -1 0 317.392 -0.134 20 0 DBADRM CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001475178521 1010005474 /nfs/dbraw/zinc/00/54/74/1010005474.db2.gz UVHZOZSQOWKWGM-ZCFIWIBFSA-N -1 0 323.758 -0.409 20 0 DBADRM COc1ccc(F)cc1S(=O)(=O)NCc1nc(=O)o[n-]1 ZINC001475364317 1010019820 /nfs/dbraw/zinc/01/98/20/1010019820.db2.gz OCCGAWLUCYLMSV-UHFFFAOYSA-N -1 0 303.271 -0.011 20 0 DBADRM CN(C)Cc1nc(CNS(=O)(=O)c2nncn2C)co1 ZINC001475723293 1010053035 /nfs/dbraw/zinc/05/30/35/1010053035.db2.gz QGYSYFKMGBFPOS-UHFFFAOYSA-N -1 0 300.344 -0.657 20 0 DBADRM CC[C@@](COC)(NCC(=O)NCC(=O)N1CCCC1)C(=O)[O-] ZINC001595194823 1017080665 /nfs/dbraw/zinc/08/06/65/1017080665.db2.gz LTTTUUMVLNEDKK-AWEZNQCLSA-N -1 0 315.370 -0.806 20 0 DBADRM CC[C@@H](COC)NC(=O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001595198665 1017080823 /nfs/dbraw/zinc/08/08/23/1017080823.db2.gz KSCZRIWLJHCZQF-UWVGGRQHSA-N -1 0 318.395 -0.196 20 0 DBADRM CC[C@H](NC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)C1CC1 ZINC001595228121 1017081012 /nfs/dbraw/zinc/08/10/12/1017081012.db2.gz CEROJWXFATZICQ-RYUDHWBXSA-N -1 0 312.366 -0.025 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1cccc(-n2nnnc2C)c1 ZINC001475950571 1010063224 /nfs/dbraw/zinc/06/32/24/1010063224.db2.gz OJKHBJDDWOAVRP-UHFFFAOYSA-N -1 0 305.298 -0.230 20 0 DBADRM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC001595506184 1017089182 /nfs/dbraw/zinc/08/91/82/1017089182.db2.gz RWYRSZHTNVODKX-BBYBGLFNSA-N -1 0 316.379 -0.194 20 0 DBADRM CC[C@@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)C(=O)[O-] ZINC001595265462 1017082534 /nfs/dbraw/zinc/08/25/34/1017082534.db2.gz UJKUGTJCZWPDHG-SNVBAGLBSA-N -1 0 306.322 -0.389 20 0 DBADRM CC[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)C(=O)N1CCOCC1 ZINC001595264195 1017082636 /nfs/dbraw/zinc/08/26/36/1017082636.db2.gz YSBKWIXZJXAOFW-SECBINFHSA-N -1 0 324.337 -0.515 20 0 DBADRM CC[C@@]1(C)NC(=O)N(NS(=O)(=O)CC(C)(C)C(=O)[O-])C1=O ZINC001595371452 1017083316 /nfs/dbraw/zinc/08/33/16/1017083316.db2.gz DYZIHHORVQLANL-LLVKDONJSA-N -1 0 321.355 -0.348 20 0 DBADRM CCC1(Cn2cc(C(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])nn2)COC1 ZINC001595386112 1017083367 /nfs/dbraw/zinc/08/33/67/1017083367.db2.gz YQEMPJTZGASQFB-MWLCHTKSSA-N -1 0 324.337 -0.635 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](C1CC1)C1(CO)CCOCC1 ZINC001476594867 1010074033 /nfs/dbraw/zinc/07/40/33/1010074033.db2.gz FWBBIVRTONPVLL-NSHDSACASA-N -1 0 324.385 -0.196 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC001476595000 1010074468 /nfs/dbraw/zinc/07/44/68/1010074468.db2.gz JMYMZQREHUZLBA-ZUNJMDCASA-N -1 0 300.388 -0.074 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001476595492 1010074943 /nfs/dbraw/zinc/07/49/43/1010074943.db2.gz WOGNAJJGLZSBCV-SECBINFHSA-N -1 0 322.350 -0.235 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C1=O ZINC001595376563 1017083636 /nfs/dbraw/zinc/08/36/36/1017083636.db2.gz CESMMEOAVIYWGP-APPZFPTMSA-N -1 0 315.326 -0.953 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1csc(S(N)(=O)=O)c1 ZINC001476996105 1010081317 /nfs/dbraw/zinc/08/13/17/1010081317.db2.gz SYQAUIOIFUNWPV-UHFFFAOYSA-N -1 0 322.368 -0.415 20 0 DBADRM CC[C@H]1C(=O)NCCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001595404303 1017086125 /nfs/dbraw/zinc/08/61/25/1017086125.db2.gz FLFBCJWDMSMNOZ-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CC[C@H]1CN(CN2C[C@@H](C(=O)[O-])OC2=O)C[C@@H](C)S1(=O)=O ZINC001595487064 1017087271 /nfs/dbraw/zinc/08/72/71/1017087271.db2.gz HJCYSKJKTAPXGO-UTLUCORTSA-N -1 0 320.367 -0.253 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@H](CC)CO1 ZINC001595471499 1017087418 /nfs/dbraw/zinc/08/74/18/1017087418.db2.gz QMPZMRMJHYPYTH-BBBLOLIVSA-N -1 0 304.318 -0.059 20 0 DBADRM CC[C@H]1CN(CCC(=O)N(C)CC(=O)[O-])C[C@H](C)S1(=O)=O ZINC001595486257 1017087693 /nfs/dbraw/zinc/08/76/93/1017087693.db2.gz CFNXYGNKRTUZLU-QWRGUYRKSA-N -1 0 320.411 -0.183 20 0 DBADRM CCCCC(=O)N(CC)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001496870353 1017080144 /nfs/dbraw/zinc/08/01/44/1017080144.db2.gz SRLCCXKRCFHOQX-UHFFFAOYSA-N -1 0 313.358 -0.156 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)Cn2ccnc2)c1[O-] ZINC001448982379 1010139754 /nfs/dbraw/zinc/13/97/54/1010139754.db2.gz AVELHWJRLMDKPH-UHFFFAOYSA-N -1 0 306.326 -0.491 20 0 DBADRM CCC(CC)(NC(=O)CNS(=O)(=O)CC)c1nnn[n-]1 ZINC001449020944 1010167666 /nfs/dbraw/zinc/16/76/66/1010167666.db2.gz YZLBNHOWPWVTOH-UHFFFAOYSA-N -1 0 304.376 -0.730 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001449071148 1010199909 /nfs/dbraw/zinc/19/99/09/1010199909.db2.gz FOCKBPXFEYPZPR-HTQZYQBOSA-N -1 0 309.326 -0.483 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@H]1CC1(C)C ZINC001449075333 1010206955 /nfs/dbraw/zinc/20/69/55/1010206955.db2.gz HDTCHJDBRCEDLD-MRVPVSSYSA-N -1 0 311.342 -0.690 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])CC(=O)NCC(C)(C)C ZINC001598489244 1017283164 /nfs/dbraw/zinc/28/31/64/1017283164.db2.gz MBGFDRCWLMZVSI-MNOVXSKESA-N -1 0 313.398 -0.083 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1n[nH]c2c1CCC2 ZINC001598489362 1017283353 /nfs/dbraw/zinc/28/33/53/1017283353.db2.gz OLFYNTPENDVXCP-NXEZZACHSA-N -1 0 320.349 -0.193 20 0 DBADRM CN(CCNC(=O)CCCC(N)=O)c1ccnc(C(=O)[O-])n1 ZINC001598491794 1017284604 /nfs/dbraw/zinc/28/46/04/1017284604.db2.gz VJFZFHIELIEJPF-UHFFFAOYSA-N -1 0 309.326 -0.617 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001598540139 1017296676 /nfs/dbraw/zinc/29/66/76/1017296676.db2.gz OIMBJWYQPDPPGK-GHMZBOCLSA-N -1 0 319.310 -0.096 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1nc(N(C)C)no1 ZINC001598490838 1017285595 /nfs/dbraw/zinc/28/55/95/1017285595.db2.gz JSSPCYJWIQNWKS-RKDXNWHRSA-N -1 0 311.342 -0.596 20 0 DBADRM CN(CCNC(=O)CCc1cn[nH]n1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598491013 1017285935 /nfs/dbraw/zinc/28/59/35/1017285935.db2.gz RXMLRGLTSVFDTQ-VHSXEESVSA-N -1 0 309.326 -0.967 20 0 DBADRM CN(CCNC(=O)CCc1ncccn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598491255 1017286158 /nfs/dbraw/zinc/28/61/58/1017286158.db2.gz VESPURFAFZALCH-QWRGUYRKSA-N -1 0 320.349 -0.296 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)CCCC(N)=O ZINC001598495294 1017286684 /nfs/dbraw/zinc/28/66/84/1017286684.db2.gz DEOUAKAOCMRBAE-UHFFFAOYSA-N -1 0 309.326 -0.877 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598493828 1017287403 /nfs/dbraw/zinc/28/74/03/1017287403.db2.gz CWOLGSCOOHPXFW-UHFFFAOYSA-N -1 0 316.339 -0.207 20 0 DBADRM CN(CCNC(=O)[C@H]1CCCC(=O)N1)c1ncc(C(=O)[O-])cn1 ZINC001598493022 1017287624 /nfs/dbraw/zinc/28/76/24/1017287624.db2.gz YIQHTZPLEDGGSQ-SNVBAGLBSA-N -1 0 321.337 -0.604 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)C1=COCCO1 ZINC001598495145 1017287993 /nfs/dbraw/zinc/28/79/93/1017287993.db2.gz AHAKCDLBJJNGPX-UHFFFAOYSA-N -1 0 308.294 -0.067 20 0 DBADRM CN(C)c1noc(CNCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001598494968 1017288177 /nfs/dbraw/zinc/28/81/77/1017288177.db2.gz CURAEPAWFCCJPA-RKDXNWHRSA-N -1 0 311.342 -0.596 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC(N2CCCNC2=O)CC1 ZINC001479462670 1010289726 /nfs/dbraw/zinc/28/97/26/1010289726.db2.gz BYQFHGNQZZLFKZ-UHFFFAOYSA-N -1 0 313.358 -0.747 20 0 DBADRM CN(CCNC(=O)c1cnnn1C)c1ncc(C(=O)[O-])cn1 ZINC001598492407 1017288824 /nfs/dbraw/zinc/28/88/24/1017288824.db2.gz FKBFQEWZKQIROG-UHFFFAOYSA-N -1 0 305.298 -0.831 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)CCn1ccnc1 ZINC001598495981 1017290287 /nfs/dbraw/zinc/29/02/87/1017290287.db2.gz RZSKFBCDUCEHLD-UHFFFAOYSA-N -1 0 318.337 -0.246 20 0 DBADRM CN(CCNCc1nnc2n1CCCC2)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598496020 1017290354 /nfs/dbraw/zinc/29/03/54/1017290354.db2.gz VTSXQKSIPYTHMM-MNOVXSKESA-N -1 0 321.381 -0.117 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)CCn1cccn1 ZINC001598495393 1017291003 /nfs/dbraw/zinc/29/10/03/1017291003.db2.gz GNMYLGPJHWOSDU-UHFFFAOYSA-N -1 0 318.337 -0.246 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001598500671 1017292853 /nfs/dbraw/zinc/29/28/53/1017292853.db2.gz RHQWRQJKYRXIQN-UHFFFAOYSA-N -1 0 300.336 -0.326 20 0 DBADRM CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001598505738 1017293534 /nfs/dbraw/zinc/29/35/34/1017293534.db2.gz SGNKYQIHNHRMME-SNVBAGLBSA-N -1 0 310.310 -0.930 20 0 DBADRM CN(CCOCCO)C(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001598497839 1017293614 /nfs/dbraw/zinc/29/36/14/1017293614.db2.gz LYGAOKSDIXHNHZ-AWEZNQCLSA-N -1 0 316.354 -0.833 20 0 DBADRM CN(C[C@H]1CCCO1)C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001598503133 1017294062 /nfs/dbraw/zinc/29/40/62/1017294062.db2.gz GDLBFHGAXKLONR-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM CN(CCOCCNC(=O)c1cn[nH]c1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598497808 1017294102 /nfs/dbraw/zinc/29/41/02/1017294102.db2.gz LADBPFRCDLITAF-GHMZBOCLSA-N -1 0 324.337 -0.665 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)Cn1cnc(C(=O)[O-])cc1=O ZINC001598534576 1017295556 /nfs/dbraw/zinc/29/55/56/1017295556.db2.gz QOCQCUNDATWVKO-UHFFFAOYSA-N -1 0 305.294 -0.666 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001598539815 1017295572 /nfs/dbraw/zinc/29/55/72/1017295572.db2.gz ZGJKMBQVJOJSCG-UHFFFAOYSA-N -1 0 304.310 -0.222 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001598514421 1017295996 /nfs/dbraw/zinc/29/59/96/1017295996.db2.gz IRRRYIARUWCANL-SNVBAGLBSA-N -1 0 313.335 -0.570 20 0 DBADRM CN(Cc1ccn(C)n1)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001598531514 1017296391 /nfs/dbraw/zinc/29/63/91/1017296391.db2.gz AQGUDJWIHDBCGT-UHFFFAOYSA-N -1 0 311.342 -0.458 20 0 DBADRM CCO[C@H](C)C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001449191340 1010361139 /nfs/dbraw/zinc/36/11/39/1010361139.db2.gz GXUKXALGMKGWCG-NXEZZACHSA-N -1 0 315.374 -0.814 20 0 DBADRM Cc1c[nH]nc1C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001449200701 1010372747 /nfs/dbraw/zinc/37/27/47/1010372747.db2.gz YZHJQEKPMIZFPH-VIFPVBQESA-N -1 0 323.357 -0.893 20 0 DBADRM Cc1c[nH]nc1C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001449200680 1010374501 /nfs/dbraw/zinc/37/45/01/1010374501.db2.gz YZHJQEKPMIZFPH-SECBINFHSA-N -1 0 323.357 -0.893 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)CC1(C)CC1 ZINC001449214739 1010379036 /nfs/dbraw/zinc/37/90/36/1010379036.db2.gz OMPWAZSXBUTVRV-SNVBAGLBSA-N -1 0 311.386 -0.048 20 0 DBADRM CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@@H]1CCN(C)C1=O ZINC001449336259 1010441290 /nfs/dbraw/zinc/44/12/90/1010441290.db2.gz PHBHFRORDVLAKK-LLVKDONJSA-N -1 0 315.337 -0.622 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)CNC(C)=O ZINC001449340595 1010444186 /nfs/dbraw/zinc/44/41/86/1010444186.db2.gz AVWGUEACKBLXJZ-UHFFFAOYSA-N -1 0 311.342 -0.862 20 0 DBADRM O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C(F)F ZINC001479923891 1010446217 /nfs/dbraw/zinc/44/62/17/1010446217.db2.gz GFYFLGZVJVCNOF-UHFFFAOYSA-N -1 0 304.301 -0.991 20 0 DBADRM CC(C)C(=O)NC1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001449485205 1010490142 /nfs/dbraw/zinc/49/01/42/1010490142.db2.gz KZNQRALKBCLKGJ-UHFFFAOYSA-N -1 0 311.342 -0.644 20 0 DBADRM CC[C@H]1CN(Cn2cnc(C(=O)[O-])n2)C[C@H](C)S1(=O)=O ZINC001595491472 1017089937 /nfs/dbraw/zinc/08/99/37/1017089937.db2.gz WXCZBGUHVRQEJP-IUCAKERBSA-N -1 0 302.356 -0.169 20 0 DBADRM CC[C@@H]1COCCN1C(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001595500853 1017090130 /nfs/dbraw/zinc/09/01/30/1017090130.db2.gz SWSAQAJQRRGWHG-QMTHXVAHSA-N -1 0 314.338 -0.674 20 0 DBADRM CCCC(=O)NCC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001595527213 1017090374 /nfs/dbraw/zinc/09/03/74/1017090374.db2.gz FDPGMFLUTYUXLR-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM CCCC(=O)NCC(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001595527701 1017090623 /nfs/dbraw/zinc/09/06/23/1017090623.db2.gz OJDKJZZFEFODIN-SNVBAGLBSA-N -1 0 314.338 -0.088 20 0 DBADRM CCC[C@H](C(=O)N[C@@]1(CC(=O)[O-])CCCOC1)S(N)(=O)=O ZINC001595535465 1017090694 /nfs/dbraw/zinc/09/06/94/1017090694.db2.gz CVVHNQKLWJTDET-BXKDBHETSA-N -1 0 322.383 -0.416 20 0 DBADRM CCC[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1)S(N)(=O)=O ZINC001595536162 1017091577 /nfs/dbraw/zinc/09/15/77/1017091577.db2.gz QJENOMRWAMLGPJ-RKDXNWHRSA-N -1 0 318.355 -0.881 20 0 DBADRM CCC[C@H](C)N1C[C@@H](C(=O)N[C@](C)(CO)C(=O)[O-])CC1=O ZINC001595579108 1017091806 /nfs/dbraw/zinc/09/18/06/1017091806.db2.gz QYUDEZSLZIFCOD-PKFCDNJMSA-N -1 0 300.355 -0.025 20 0 DBADRM CCC[C@@](C)(O)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001595566530 1017091943 /nfs/dbraw/zinc/09/19/43/1017091943.db2.gz SEIIXTLGDZIURV-IINYFYTJSA-N -1 0 300.355 -0.023 20 0 DBADRM CCC[C@@H](C)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001595580087 1017092423 /nfs/dbraw/zinc/09/24/23/1017092423.db2.gz YRPFSYXWDPFZBR-BDAKNGLRSA-N -1 0 313.397 -0.312 20 0 DBADRM CCC[C@H](C(=O)N[C@]1(CC(=O)[O-])CCOC1)S(N)(=O)=O ZINC001595536341 1017092559 /nfs/dbraw/zinc/09/25/59/1017092559.db2.gz XFVNAIOCSLYGRJ-KCJUWKMLSA-N -1 0 308.356 -0.806 20 0 DBADRM CCC[C@H](C)N1C[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1=O ZINC001595579956 1017092916 /nfs/dbraw/zinc/09/29/16/1017092916.db2.gz YRBXEKHLWARXFW-XNDJQWLSSA-N -1 0 300.355 -0.026 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC(=O)N(CCC(F)(F)F)C1 ZINC001449754335 1010557027 /nfs/dbraw/zinc/55/70/27/1010557027.db2.gz BVYQNGFRWMHAGR-UHFFFAOYSA-N -1 0 321.215 -0.523 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N[C@H](CCC(=O)[O-])C(=O)OC ZINC001595638923 1017094093 /nfs/dbraw/zinc/09/40/93/1017094093.db2.gz JNBSNFUCTVCZFL-RKDXNWHRSA-N -1 0 317.342 -0.264 20 0 DBADRM CCCC[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)[O-] ZINC001595635491 1017094340 /nfs/dbraw/zinc/09/43/40/1017094340.db2.gz WUDWLRAGBSKSEG-SECBINFHSA-N -1 0 309.388 -0.516 20 0 DBADRM CCCC[C@H](C(=O)[O-])S(=O)(=O)CCCS(N)(=O)=O ZINC001595629683 1017094697 /nfs/dbraw/zinc/09/46/97/1017094697.db2.gz LZUAFNFOYMFVCR-MRVPVSSYSA-N -1 0 301.386 -0.277 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001595637348 1017095133 /nfs/dbraw/zinc/09/51/33/1017095133.db2.gz DADRSQNWCXJBAQ-UWVGGRQHSA-N -1 0 301.343 -0.084 20 0 DBADRM Cc1cc(C(=O)NCCn2cnnc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001449828337 1010574332 /nfs/dbraw/zinc/57/43/32/1010574332.db2.gz YOGJCQNNQACQSI-UHFFFAOYSA-N -1 0 315.293 -0.234 20 0 DBADRM CCCC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)OC ZINC001595641426 1017095524 /nfs/dbraw/zinc/09/55/24/1017095524.db2.gz XAHBAMYCVONHOQ-VIFPVBQESA-N -1 0 310.372 -0.041 20 0 DBADRM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001595620033 1017095854 /nfs/dbraw/zinc/09/58/54/1017095854.db2.gz VAPBGNROACCJQK-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001595637467 1017096135 /nfs/dbraw/zinc/09/61/35/1017096135.db2.gz HZXGOZJOGPWBPD-OPRDCNLKSA-N -1 0 301.343 -0.086 20 0 DBADRM CCCCC(=O)N1CC(CCO)(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001595625541 1017096223 /nfs/dbraw/zinc/09/62/23/1017096223.db2.gz FDOMIVHPVGMHPS-WDEREUQCSA-N -1 0 312.366 -0.023 20 0 DBADRM CCCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001595616003 1017096616 /nfs/dbraw/zinc/09/66/16/1017096616.db2.gz XGKGUYFVUXCCEK-MNOVXSKESA-N -1 0 324.377 -0.023 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)Cc2cnc[nH]2)c1[O-] ZINC001449872135 1010585064 /nfs/dbraw/zinc/58/50/64/1010585064.db2.gz QHUSYZVRPZTFJS-MRVPVSSYSA-N -1 0 320.353 -0.034 20 0 DBADRM CCCCCCNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001595712196 1017097073 /nfs/dbraw/zinc/09/70/73/1017097073.db2.gz KAZNTZWGSKZHGM-QWRGUYRKSA-N -1 0 300.355 -0.023 20 0 DBADRM CCCCN(CC)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001595742987 1017097781 /nfs/dbraw/zinc/09/77/81/1017097781.db2.gz SZBIJWNGOLSCJO-MNOVXSKESA-N -1 0 300.355 -0.071 20 0 DBADRM O=C(Cc1ncc[nH]1)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001480264201 1010595117 /nfs/dbraw/zinc/59/51/17/1010595117.db2.gz BDDSGOZSRFKYHD-SNVBAGLBSA-N -1 0 319.369 -0.196 20 0 DBADRM CCCCN(CCO)C(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001595744428 1017098902 /nfs/dbraw/zinc/09/89/02/1017098902.db2.gz FLFBYAUHGPTPIN-CQSZACIVSA-N -1 0 316.354 -0.691 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001595722140 1017099348 /nfs/dbraw/zinc/09/93/48/1017099348.db2.gz VJENPBPLWXKJIA-NXEZZACHSA-N -1 0 307.368 -0.362 20 0 DBADRM CN1C(=O)CC[C@H](N2C(=O)[C@H]3CC[C@@H](C(=O)[O-])CN3C2=O)C1=O ZINC001598549321 1017297925 /nfs/dbraw/zinc/29/79/25/1017297925.db2.gz ONZSNYLYIIOQFA-HLTSFMKQSA-N -1 0 323.305 -0.739 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598550767 1017297939 /nfs/dbraw/zinc/29/79/39/1017297939.db2.gz YFVQQJDIAGYOSP-SCZZXKLOSA-N -1 0 307.310 -0.630 20 0 DBADRM CN1C(=O)CC[C@@H](NS(=O)(=O)c2occc2C(=O)[O-])C1=O ZINC001598550181 1017298064 /nfs/dbraw/zinc/29/80/64/1017298064.db2.gz ZTWFSLMYXNIUCX-SSDOTTSWSA-N -1 0 316.291 -0.597 20 0 DBADRM CN1C(=O)CN(CC(=O)N2CCSC[C@H](C(=O)[O-])C2)C1=O ZINC001598550847 1017298152 /nfs/dbraw/zinc/29/81/52/1017298152.db2.gz BUWWKMYNXUEDEH-MRVPVSSYSA-N -1 0 315.351 -0.843 20 0 DBADRM CN1C(=O)CN(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])C1=O ZINC001598550896 1017298387 /nfs/dbraw/zinc/29/83/87/1017298387.db2.gz DPZRMDKKFQNTQM-AUTRQRHGSA-N -1 0 309.322 -0.408 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001598547832 1017298708 /nfs/dbraw/zinc/29/87/08/1017298708.db2.gz JXIOYGHCGNRMSJ-IINYFYTJSA-N -1 0 308.338 -0.147 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)NC[C@H](CC(=O)[O-])C2CC2)C1=O ZINC001598550169 1017298919 /nfs/dbraw/zinc/29/89/19/1017298919.db2.gz ZJJKRLOCSALIAZ-VHSXEESVSA-N -1 0 311.338 -0.066 20 0 DBADRM CN(c1nnnn1CCCN1CCOCC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598546561 1017298949 /nfs/dbraw/zinc/29/89/49/1017298949.db2.gz DWDIRMHVLBXBPL-TXEJJXNPSA-N -1 0 324.385 -0.305 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1=O ZINC001598550170 1017299169 /nfs/dbraw/zinc/29/91/69/1017299169.db2.gz ZJJKRLOCSALIAZ-ZJUUUORDSA-N -1 0 311.338 -0.066 20 0 DBADRM CN1C(=O)CN(NC(=O)CCCn2ccc(C(=O)[O-])n2)C1=O ZINC001598550917 1017299212 /nfs/dbraw/zinc/29/92/12/1017299212.db2.gz FIIAYMVTIWVISP-UHFFFAOYSA-N -1 0 309.282 -0.713 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1=O ZINC001598548144 1017299302 /nfs/dbraw/zinc/29/93/02/1017299302.db2.gz IYQBJAYMXRJLJG-LPEHRKFASA-N -1 0 312.322 -0.338 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2cccnc2C(=O)[O-])C1=O ZINC001598545879 1017299398 /nfs/dbraw/zinc/29/93/98/1017299398.db2.gz NLZLDIZQBLKXHL-UHFFFAOYSA-N -1 0 306.234 -0.861 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001598553930 1017299974 /nfs/dbraw/zinc/29/99/74/1017299974.db2.gz PURONBDTMDDFSI-JOTVYFQTSA-N -1 0 300.336 -0.360 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])C1=O ZINC001598551975 1017300490 /nfs/dbraw/zinc/30/04/90/1017300490.db2.gz YGGPOLRBPXEGNA-SNVBAGLBSA-N -1 0 320.305 -0.913 20 0 DBADRM Cn1nccc1[C@H](NC(=O)/C=C1\SCC(=O)N1C)C(=O)[O-] ZINC001598553701 1017301365 /nfs/dbraw/zinc/30/13/65/1017301365.db2.gz NGQOGBLAGIUDOK-VQNWOSHQSA-N -1 0 310.335 -0.291 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)Nc3cccc(C(=O)[O-])n3)C[C@H]2C1=O ZINC001598556485 1017301906 /nfs/dbraw/zinc/30/19/06/1017301906.db2.gz IMUPJVZETVGKQP-OCAPTIKFSA-N -1 0 318.289 -0.142 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001598552708 1017301972 /nfs/dbraw/zinc/30/19/72/1017301972.db2.gz AOHQYQXCIOQQJB-ITXLNXHTSA-N -1 0 300.336 -0.265 20 0 DBADRM CN1C[C@H](C(=O)NCC[C@H](O)C(=O)[O-])c2ccccc2C1=O ZINC001598558942 1017302959 /nfs/dbraw/zinc/30/29/59/1017302959.db2.gz FSNCNONLVCZCDQ-RYUDHWBXSA-N -1 0 306.318 -0.192 20 0 DBADRM CN1C[C@H](C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1=O ZINC001598559720 1017303087 /nfs/dbraw/zinc/30/30/87/1017303087.db2.gz KKEBDFPFNXLFBL-RKDXNWHRSA-N -1 0 307.310 -0.772 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001598561405 1017303319 /nfs/dbraw/zinc/30/33/19/1017303319.db2.gz AZZQLYZXGYHDFK-KKZNHRDASA-N -1 0 306.322 -0.723 20 0 DBADRM CN1C[C@H](C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)NCC1=O ZINC001598559333 1017303824 /nfs/dbraw/zinc/30/38/24/1017303824.db2.gz ICUWNVZHGJKCJK-NWDGAFQWSA-N -1 0 311.382 -0.186 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)cc1C(=O)[O-] ZINC001598567665 1017310035 /nfs/dbraw/zinc/31/00/35/1017310035.db2.gz JGXSQMOIAWHDKT-MRVPVSSYSA-N -1 0 308.294 -0.991 20 0 DBADRM CO[C@H]1COCC[C@H]1CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001450158475 1010651408 /nfs/dbraw/zinc/65/14/08/1010651408.db2.gz XPGLHARYDJAIJA-YUMQZZPRSA-N -1 0 302.356 -0.230 20 0 DBADRM CC(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCCCC1 ZINC001450209568 1010664116 /nfs/dbraw/zinc/66/41/16/1010664116.db2.gz MEKYLWDYMYUSHH-UHFFFAOYSA-N -1 0 309.326 -0.148 20 0 DBADRM Cn1cc(Cl)c(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])n1 ZINC001598564172 1017308406 /nfs/dbraw/zinc/30/84/06/1017308406.db2.gz RFSGANPDERLCQR-ZETCQYMHSA-N -1 0 300.702 -0.559 20 0 DBADRM CN1C[C@H](NS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1=O ZINC001598567401 1017309542 /nfs/dbraw/zinc/30/95/42/1017309542.db2.gz FDDQFSMCQBLNPP-UTLUCORTSA-N -1 0 304.368 -0.220 20 0 DBADRM CN(c1ccnc(C(=O)[O-])n1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001598547037 1017297692 /nfs/dbraw/zinc/29/76/92/1017297692.db2.gz STUAUKFKCONJAA-MRVPVSSYSA-N -1 0 307.310 -0.913 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001598547912 1017297775 /nfs/dbraw/zinc/29/77/75/1017297775.db2.gz LUXJFJSVTKEAST-VHSXEESVSA-N -1 0 312.322 -0.384 20 0 DBADRM CN1C(=O)CN(CC(=O)NCc2ccccc2CC(=O)[O-])C1=O ZINC001598551066 1017297794 /nfs/dbraw/zinc/29/77/94/1017297794.db2.gz LFSMWGPBMWOFRQ-UHFFFAOYSA-N -1 0 319.317 -0.176 20 0 DBADRM COCCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3[nH]nc(C)c3[O-])[C@@H]2C1 ZINC001450497218 1010742863 /nfs/dbraw/zinc/74/28/63/1010742863.db2.gz MAHRKMZBBSSPLX-RTCCRHLQSA-N -1 0 322.365 -0.106 20 0 DBADRM CCOCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3[nH]nc(C)c3[O-])[C@@H]2C1 ZINC001450511578 1010746716 /nfs/dbraw/zinc/74/67/16/1010746716.db2.gz YWPQGQVJTPIAQW-RTCCRHLQSA-N -1 0 322.365 -0.106 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC001450549524 1010756746 /nfs/dbraw/zinc/75/67/46/1010756746.db2.gz IVLNRKVVVWMCSR-NHYWBVRUSA-N -1 0 318.333 -0.028 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C(=O)O1 ZINC001450605494 1010770686 /nfs/dbraw/zinc/77/06/86/1010770686.db2.gz YHKOOINUNMAZBQ-XCBNKYQSSA-N -1 0 318.289 -0.300 20 0 DBADRM CN(CCNC(=O)CCc1cncnc1)Cc1n[nH]c(=O)[n-]1 ZINC001480890578 1010795667 /nfs/dbraw/zinc/79/56/67/1010795667.db2.gz JTDNMOIGIQZKSB-UHFFFAOYSA-N -1 0 305.342 -0.519 20 0 DBADRM CN(C(=O)C1CC1)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001450777948 1010798337 /nfs/dbraw/zinc/79/83/37/1010798337.db2.gz HCPBFVJAOHGFJN-VIFPVBQESA-N -1 0 321.337 -0.340 20 0 DBADRM CCN(CCF)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001481006376 1010826570 /nfs/dbraw/zinc/82/65/70/1010826570.db2.gz RUINPUNICCPMPN-UHFFFAOYSA-N -1 0 310.333 -0.521 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)Cn2ccnc2)c1[O-] ZINC001450996513 1010833010 /nfs/dbraw/zinc/83/30/10/1010833010.db2.gz MIRMBZORUAXBGI-VIFPVBQESA-N -1 0 320.353 -0.103 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@H]1CCCN1CCF ZINC001481062456 1010833866 /nfs/dbraw/zinc/83/38/66/1010833866.db2.gz CGDNZZPHHVDUPO-SNVBAGLBSA-N -1 0 322.344 -0.379 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC1(C)C ZINC001451036847 1010841740 /nfs/dbraw/zinc/84/17/40/1010841740.db2.gz IIPLFHNYQKRHSS-JGVFFNPUSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H](C)C1CC1 ZINC001451043590 1010841791 /nfs/dbraw/zinc/84/17/91/1010841791.db2.gz SGHPLPLWLGWEOT-CBAPKCEASA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(Cc2nncn2C)C2CC2)c1[O-] ZINC001481165462 1010851588 /nfs/dbraw/zinc/85/15/88/1010851588.db2.gz QZFAUBQFXLLHGA-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM CC[C@H](CNC(=O)Cn1cncn1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001451129253 1010854920 /nfs/dbraw/zinc/85/49/20/1010854920.db2.gz AFKQDTZNXOFBLV-SECBINFHSA-N -1 0 321.341 -0.660 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001481188328 1010856185 /nfs/dbraw/zinc/85/61/85/1010856185.db2.gz OPHHQNMZLIEJSC-NSHDSACASA-N -1 0 324.385 -0.494 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC001451194938 1010865830 /nfs/dbraw/zinc/86/58/30/1010865830.db2.gz XJKCGZZSEPKDMO-JOYOIKCWSA-N -1 0 314.363 -0.517 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC001451194931 1010866029 /nfs/dbraw/zinc/86/60/29/1010866029.db2.gz XJKCGZZSEPKDMO-BXKDBHETSA-N -1 0 314.363 -0.517 20 0 DBADRM CCC(=O)NC[C@@](C)(NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001451267214 1010874343 /nfs/dbraw/zinc/87/43/43/1010874343.db2.gz ARZLTQSJDDEBLI-CYBMUJFWSA-N -1 0 309.326 -0.293 20 0 DBADRM CN(CCNCc1cnon1)C(=O)c1c[n-]n2c1nccc2=O ZINC001481288696 1010882829 /nfs/dbraw/zinc/88/28/29/1010882829.db2.gz GVHPVCRSCSAUBH-UHFFFAOYSA-N -1 0 317.309 -0.733 20 0 DBADRM CC[C@H](OC)C(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001451355988 1010907477 /nfs/dbraw/zinc/90/74/77/1010907477.db2.gz TVZTWSSNNYIDLX-IUCAKERBSA-N -1 0 314.342 -0.944 20 0 DBADRM CCCC(=O)N[C@H](CO)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001451390372 1010926591 /nfs/dbraw/zinc/92/65/91/1010926591.db2.gz HWQHOERCUMKQFQ-VIFPVBQESA-N -1 0 321.337 -0.970 20 0 DBADRM COCCN1CC(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC001481602534 1010930514 /nfs/dbraw/zinc/93/05/14/1010930514.db2.gz GHXWQMUDTFDWFR-UHFFFAOYSA-N -1 0 311.304 -0.110 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481603109 1010930591 /nfs/dbraw/zinc/93/05/91/1010930591.db2.gz BTTCAIPCGNACPI-UFBFGSQYSA-N -1 0 324.385 -0.639 20 0 DBADRM C[C@H](CNC(=O)c1c[n-]n2c1nccc2=O)CNC(=O)C1CC1 ZINC001451454543 1010955694 /nfs/dbraw/zinc/95/56/94/1010955694.db2.gz LJFAFQKMDJJQCS-VIFPVBQESA-N -1 0 317.349 -0.085 20 0 DBADRM CCC(=O)NC[C@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001451453474 1010956079 /nfs/dbraw/zinc/95/60/79/1010956079.db2.gz DXFFHQHOVGHVCD-VIFPVBQESA-N -1 0 320.353 -0.650 20 0 DBADRM C[C@H](CNC(=O)CC1CCC1)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001451540300 1010987804 /nfs/dbraw/zinc/98/78/04/1010987804.db2.gz OFGXAPKAOOXJGJ-MRVPVSSYSA-N -1 0 323.353 -0.045 20 0 DBADRM CN(CC(=O)NCc1ccccc1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001451848798 1011056624 /nfs/dbraw/zinc/05/66/24/1011056624.db2.gz KXVXDPSRJCCXNJ-UHFFFAOYSA-N -1 0 317.305 -0.329 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNC(=O)c2ccc[nH]2)c1[O-] ZINC001451846586 1011056866 /nfs/dbraw/zinc/05/68/66/1011056866.db2.gz YFCZYJLCJJEDMF-VIFPVBQESA-N -1 0 321.337 -0.385 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)c2nc[nH]n2)c1[O-] ZINC001452121174 1011110836 /nfs/dbraw/zinc/11/08/36/1011110836.db2.gz FJSXMLKEBJKOHH-UHFFFAOYSA-N -1 0 307.314 -0.614 20 0 DBADRM Cc1cnc(CNC[C@@H](C)N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001482358479 1011128052 /nfs/dbraw/zinc/12/80/52/1011128052.db2.gz OCABESZJVQKRGE-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM Cc1nc(CNC[C@@H](C)N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001482357947 1011128951 /nfs/dbraw/zinc/12/89/51/1011128951.db2.gz CHTRIGXTYJJDHP-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM CN(CCN(C)C(=O)c1n[n-]c2ccccc2c1=O)CC(N)=O ZINC001482632970 1011240850 /nfs/dbraw/zinc/24/08/50/1011240850.db2.gz ZAMDYCXKGFFUGK-UHFFFAOYSA-N -1 0 317.349 -0.176 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@]12CCOC2)Cc1n[nH]c(=O)[n-]1 ZINC001482641842 1011247232 /nfs/dbraw/zinc/24/72/32/1011247232.db2.gz YNJDNKGXYVUPIF-HZMBPMFUSA-N -1 0 309.370 -0.173 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@H](C)CNC(=O)c1cnc[nH]c1=O ZINC001452639143 1011329379 /nfs/dbraw/zinc/32/93/79/1011329379.db2.gz LHIHWPLTORHQAJ-SSDOTTSWSA-N -1 0 304.310 -0.238 20 0 DBADRM CSC[C@H](C)C(=O)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001452752558 1011382631 /nfs/dbraw/zinc/38/26/31/1011382631.db2.gz FCUSDNLHRRTPAD-SFGNSQDASA-N -1 0 313.383 -0.895 20 0 DBADRM CN1CC(N2CCN(C(=O)c3cc(C(=O)[O-])nn3C)CC2)C1 ZINC001598568486 1017311033 /nfs/dbraw/zinc/31/10/33/1017311033.db2.gz SERGNRHFLRLMHC-UHFFFAOYSA-N -1 0 307.354 -0.810 20 0 DBADRM CN1C[C@@H](CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)OC1=O ZINC001598567027 1017311637 /nfs/dbraw/zinc/31/16/37/1017311637.db2.gz OZNYQMLBILNAQW-SMDDNHRTSA-N -1 0 313.354 -0.702 20 0 DBADRM CN1C[C@H](OC(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC001598572218 1017313119 /nfs/dbraw/zinc/31/31/19/1017313119.db2.gz HRMAGXQABLUESV-BBBLOLIVSA-N -1 0 305.352 -0.488 20 0 DBADRM CN1C[C@H](OC(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC001598572217 1017314199 /nfs/dbraw/zinc/31/41/99/1017314199.db2.gz HRMAGXQABLUESV-AEJSXWLSSA-N -1 0 305.352 -0.488 20 0 DBADRM CN1C[C@H](OC(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1C(=O)[O-] ZINC001598571964 1017315222 /nfs/dbraw/zinc/31/52/22/1017315222.db2.gz GTZIXVXLHCUFRE-GMTAPVOTSA-N -1 0 319.379 -0.098 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])CC1=O ZINC001598581417 1017316546 /nfs/dbraw/zinc/31/65/46/1017316546.db2.gz TWZZTMSUISLKLP-YGRLFVJLSA-N -1 0 308.338 -0.289 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])S1(=O)=O ZINC001598580027 1017316788 /nfs/dbraw/zinc/31/67/88/1017316788.db2.gz YSHZGZPECNQWNM-KXUCPTDWSA-N -1 0 304.368 -0.220 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H](C(=O)[O-])c2cccnc2)S1(=O)=O ZINC001598580806 1017316893 /nfs/dbraw/zinc/31/68/93/1017316893.db2.gz OIVMMWFYWOGTGP-ZJUUUORDSA-N -1 0 313.335 -0.643 20 0 DBADRM CN1CC[C@H](C(=O)O[C@H]2C=CC[C@@H](C(=O)[O-])C2)S1(=O)=O ZINC001598579814 1017316904 /nfs/dbraw/zinc/31/69/04/1017316904.db2.gz XFNGSWGGXNTUDE-KXUCPTDWSA-N -1 0 303.336 -0.017 20 0 DBADRM CN1CCC[C@@H](NS(=O)(=O)c2csnc2C(=O)[O-])C1=O ZINC001598593125 1017322389 /nfs/dbraw/zinc/32/23/89/1017322389.db2.gz FUTZCUHVFVJNOT-ZCFIWIBFSA-N -1 0 319.364 -0.260 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2cccnc2)S1(=O)=O ZINC001598580803 1017317295 /nfs/dbraw/zinc/31/72/95/1017317295.db2.gz OIVMMWFYWOGTGP-NXEZZACHSA-N -1 0 313.335 -0.643 20 0 DBADRM CN1CC[C@@H](C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001598579479 1017317414 /nfs/dbraw/zinc/31/74/14/1017317414.db2.gz YNXVSONHLUWOBD-RKDXNWHRSA-N -1 0 307.310 -0.772 20 0 DBADRM CN1CC[C@H](C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CC1=O ZINC001598579489 1017317727 /nfs/dbraw/zinc/31/77/27/1017317727.db2.gz YUMPRZPSEBXDIL-XPTSAGLGSA-N -1 0 309.322 -0.313 20 0 DBADRM CN1CC[C@@H](C(=O)OCc2nc(C(=O)[O-])cs2)S1(=O)=O ZINC001598577956 1017318366 /nfs/dbraw/zinc/31/83/66/1017318366.db2.gz KWNFZRNMAQWGDS-ZETCQYMHSA-N -1 0 320.348 -0.082 20 0 DBADRM CN1CC[C@@H](NC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)C1=O ZINC001598585414 1017318969 /nfs/dbraw/zinc/31/89/69/1017318969.db2.gz GJBJVWHIXVNRFJ-MRVPVSSYSA-N -1 0 307.310 -0.553 20 0 DBADRM CN1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1=O ZINC001598586484 1017320437 /nfs/dbraw/zinc/32/04/37/1017320437.db2.gz UCCPGOSRJYRWHR-JTQLQIEISA-N -1 0 323.280 -0.191 20 0 DBADRM CC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001453017757 1011492964 /nfs/dbraw/zinc/49/29/64/1011492964.db2.gz OTCKIDQVDUBBPM-ZJUUUORDSA-N -1 0 311.342 -0.500 20 0 DBADRM COC(OC)C(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001453156416 1011535187 /nfs/dbraw/zinc/53/51/87/1011535187.db2.gz DVOODRXATPUWCH-UHFFFAOYSA-N -1 0 312.326 -0.673 20 0 DBADRM CCn1nncc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001483002994 1011588289 /nfs/dbraw/zinc/58/82/89/1011588289.db2.gz BWPYLLJKISLGPP-ONEGZZNKSA-N -1 0 306.330 -0.803 20 0 DBADRM COc1ncccc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001483055299 1011652785 /nfs/dbraw/zinc/65/27/85/1011652785.db2.gz XMHJFXKRDBPSMD-NSCUHMNNSA-N -1 0 318.337 -0.010 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNCc2nc(N(C)C)no2)c1[O-] ZINC001483119867 1011705351 /nfs/dbraw/zinc/70/53/51/1011705351.db2.gz CJRJTKSHWXJANK-SSDOTTSWSA-N -1 0 323.357 -0.219 20 0 DBADRM CCC(=O)N1CC(N(C)C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001453694016 1011794932 /nfs/dbraw/zinc/79/49/32/1011794932.db2.gz XGXYFYWCYZOPLJ-UHFFFAOYSA-N -1 0 309.326 -0.705 20 0 DBADRM CCOC(=O)c1cc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)on1 ZINC001453754492 1011812024 /nfs/dbraw/zinc/81/20/24/1011812024.db2.gz ZVRRNOPJMNECQH-LURJTMIESA-N -1 0 310.266 -0.221 20 0 DBADRM CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001454048365 1011851268 /nfs/dbraw/zinc/85/12/68/1011851268.db2.gz PYAONJOVJHCUFR-ISVAXAHUSA-N -1 0 312.326 -0.073 20 0 DBADRM CN(C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1)c1nnn[n-]1 ZINC001454162215 1011878160 /nfs/dbraw/zinc/87/81/60/1011878160.db2.gz MYPLSDGPKDYLBN-UHFFFAOYSA-N -1 0 312.330 -0.466 20 0 DBADRM CC(=O)N[C@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001454183461 1011883583 /nfs/dbraw/zinc/88/35/83/1011883583.db2.gz XKERPEORIORJEC-SNVBAGLBSA-N -1 0 311.342 -0.500 20 0 DBADRM CC1(C(=O)N[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C2CC2)CC1 ZINC001454182278 1011884251 /nfs/dbraw/zinc/88/42/51/1011884251.db2.gz WUSYFUUTOGDHBU-VIFPVBQESA-N -1 0 323.353 -0.500 20 0 DBADRM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)C1(O)CCOCC1 ZINC001454252217 1011892564 /nfs/dbraw/zinc/89/25/64/1011892564.db2.gz AAZRALWRGBDAML-LLVKDONJSA-N -1 0 303.322 -0.053 20 0 DBADRM CC(=O)N1CCC[C@@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001454421140 1011981617 /nfs/dbraw/zinc/98/16/17/1011981617.db2.gz KWUPXZPKFYTKCS-JTQLQIEISA-N -1 0 323.353 -0.410 20 0 DBADRM CCCN(C(=O)Cn1cc(S(N)(=O)=O)cn1)[C@H](C)C(=O)[O-] ZINC001595822588 1017101756 /nfs/dbraw/zinc/10/17/56/1017101756.db2.gz RLGFVQYDOQBWIX-MRVPVSSYSA-N -1 0 318.355 -0.758 20 0 DBADRM O=C(N[C@H]1COCCC1=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001454442591 1011989451 /nfs/dbraw/zinc/98/94/51/1011989451.db2.gz GBSWUIUERWKLSA-JTQLQIEISA-N -1 0 318.289 -0.646 20 0 DBADRM CCCN(CC1CC1)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001595870502 1017103927 /nfs/dbraw/zinc/10/39/27/1017103927.db2.gz NJBZZGKGLGTGNF-NWDGAFQWSA-N -1 0 312.366 -0.071 20 0 DBADRM CCCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1nnnn1C ZINC001595882935 1017103961 /nfs/dbraw/zinc/10/39/61/1017103961.db2.gz OWDGDBXIBFFMLX-UWVGGRQHSA-N -1 0 310.358 -0.741 20 0 DBADRM COC[C@@H](NC(=O)c1ccnc2c1ncn2C)c1nnn[n-]1 ZINC001595889791 1017104198 /nfs/dbraw/zinc/10/41/98/1017104198.db2.gz YNHRSELCYIDVOJ-MRVPVSSYSA-N -1 0 302.298 -0.401 20 0 DBADRM COC[C@@H](NC(=O)CCSCC(=O)OC)c1nnn[n-]1 ZINC001595888900 1017104224 /nfs/dbraw/zinc/10/42/24/1017104224.db2.gz JIITYTXIUMDHDL-SSDOTTSWSA-N -1 0 303.344 -0.700 20 0 DBADRM CCCN(CCNC(=O)c1cn[nH]n1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001595883181 1017104237 /nfs/dbraw/zinc/10/42/37/1017104237.db2.gz UCEODEBANUCALI-BDAKNGLRSA-N -1 0 309.326 -0.506 20 0 DBADRM CCCN(CCNC(=O)Cn1cncn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001595882971 1017104688 /nfs/dbraw/zinc/10/46/88/1017104688.db2.gz PMMPTHUFEMSRDU-MNOVXSKESA-N -1 0 323.353 -0.646 20 0 DBADRM CCCN1C(=O)C(=O)N(CN2CC[C@@](OC)(C(=O)[O-])C2)C1=O ZINC001595894371 1017104718 /nfs/dbraw/zinc/10/47/18/1017104718.db2.gz AOYDDDXVNFFJGL-ZDUSSCGKSA-N -1 0 313.310 -0.680 20 0 DBADRM O=C(C[C@H]1CCC(=O)NC1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001483654904 1012017193 /nfs/dbraw/zinc/01/71/93/1012017193.db2.gz IXMCPTKBCIVXFL-NXEZZACHSA-N -1 0 322.369 -0.883 20 0 DBADRM CCCN1C[C@@H](C(=O)O[C@H](CC(=O)OC)C(=O)[O-])CC1=O ZINC001595901543 1017106087 /nfs/dbraw/zinc/10/60/87/1017106087.db2.gz KINMYUKEFWTVLI-DTWKUNHWSA-N -1 0 301.295 -0.196 20 0 DBADRM C[C@H](CNC(=O)C1CCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001454536946 1012024820 /nfs/dbraw/zinc/02/48/20/1012024820.db2.gz UJLDXEKIXUOYHZ-MRVPVSSYSA-N -1 0 308.338 -0.480 20 0 DBADRM CCCNC(=O)NC(=O)CN1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC001595925984 1017107895 /nfs/dbraw/zinc/10/78/95/1017107895.db2.gz DKRSSPZUKPUPAG-RNCFNFMXSA-N -1 0 301.343 -0.214 20 0 DBADRM COC[C@H](NC(=O)Cn1nc(C)c2cccnc21)c1nnn[n-]1 ZINC001595895777 1017108414 /nfs/dbraw/zinc/10/84/14/1017108414.db2.gz GYNYAULEQXARJA-JTQLQIEISA-N -1 0 316.325 -0.243 20 0 DBADRM O=C(CCc1ccc(=O)[nH]c1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454553961 1012035031 /nfs/dbraw/zinc/03/50/31/1012035031.db2.gz NRDSFTGHWDSRQQ-JTQLQIEISA-N -1 0 304.310 -0.167 20 0 DBADRM C[C@H](C(=O)N1CCOC[C@H]1c1nnn[n-]1)[C@H](C)S(C)(=O)=O ZINC001454556589 1012038705 /nfs/dbraw/zinc/03/87/05/1012038705.db2.gz XOHVWDBXXZKTIH-CIUDSAMLSA-N -1 0 317.371 -0.831 20 0 DBADRM CCCCC(=O)NC[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001454564626 1012040861 /nfs/dbraw/zinc/04/08/61/1012040861.db2.gz WBTUMIZHHZEUBR-SECBINFHSA-N -1 0 310.354 -0.089 20 0 DBADRM Cc1nonc1CC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001483690034 1012058530 /nfs/dbraw/zinc/05/85/30/1012058530.db2.gz VHOCJQJSCZSNQH-MRVPVSSYSA-N -1 0 307.314 -0.865 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001454721681 1012112378 /nfs/dbraw/zinc/11/23/78/1012112378.db2.gz CHFVIUKVUGTKSL-YUMQZZPRSA-N -1 0 323.353 -0.047 20 0 DBADRM CCOCCN1CC(N(C)C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001483881759 1012187285 /nfs/dbraw/zinc/18/72/85/1012187285.db2.gz QRJIIBAEHPORTM-UHFFFAOYSA-N -1 0 319.365 -0.185 20 0 DBADRM COCCN1C[C@H](C(=O)N2CC[C@H](c3nnn[n-]3)C2)CC1=O ZINC001455129256 1012224414 /nfs/dbraw/zinc/22/44/14/1012224414.db2.gz FMPYUOVNTOWUMS-VHSXEESVSA-N -1 0 308.342 -0.990 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cn1 ZINC001455132654 1012229169 /nfs/dbraw/zinc/22/91/69/1012229169.db2.gz ODIZIKNFZXKWJF-SECBINFHSA-N -1 0 322.350 -0.372 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001455201241 1012270407 /nfs/dbraw/zinc/27/04/07/1012270407.db2.gz CJVXTQUKLGEYHV-MYJAWHEDSA-N -1 0 308.338 -0.496 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC001455217628 1012284324 /nfs/dbraw/zinc/28/43/24/1012284324.db2.gz WZRRANJAUURJSH-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM NS(=O)(=O)N1CCN(C(=O)c2cc(F)cc(F)c2[O-])CC1 ZINC001455223972 1012285712 /nfs/dbraw/zinc/28/57/12/1012285712.db2.gz RIGIYJKHDGMVNL-UHFFFAOYSA-N -1 0 321.305 -0.368 20 0 DBADRM C[C@H]([C@@H](C)C(=O)NC1(c2nnn[n-]2)CCC1)S(C)(=O)=O ZINC001455349557 1012355333 /nfs/dbraw/zinc/35/53/33/1012355333.db2.gz OPINLQSTYSBYKR-HTQZYQBOSA-N -1 0 301.372 -0.236 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccoc1 ZINC001484202817 1012358587 /nfs/dbraw/zinc/35/85/87/1012358587.db2.gz CKEJCYNFWIXUOX-ZDUSSCGKSA-N -1 0 307.310 -0.530 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccoc1 ZINC001484202811 1012362193 /nfs/dbraw/zinc/36/21/93/1012362193.db2.gz CKEJCYNFWIXUOX-CYBMUJFWSA-N -1 0 307.310 -0.530 20 0 DBADRM CC(C)[C@H](C)C(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001455482065 1012416156 /nfs/dbraw/zinc/41/61/56/1012416156.db2.gz UBJJDMYXQFOHLD-JTQLQIEISA-N -1 0 324.381 -0.034 20 0 DBADRM Cc1cc(C(=O)N2CC(CO)(CO)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001455612227 1012458209 /nfs/dbraw/zinc/45/82/09/1012458209.db2.gz UWXXMGIKENYWKJ-UHFFFAOYSA-N -1 0 320.305 -0.829 20 0 DBADRM Cc1ccsc1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484255319 1012468748 /nfs/dbraw/zinc/46/87/48/1012468748.db2.gz CBXRYCIRVFSZEM-UHFFFAOYSA-N -1 0 323.378 -0.143 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N[C@H](COC)c1nnn[n-]1)C(C)=O ZINC001455729526 1012492654 /nfs/dbraw/zinc/49/26/54/1012492654.db2.gz MLBZZUBSTOSBHI-RKDXNWHRSA-N -1 0 313.314 -0.838 20 0 DBADRM CCc1noc(CCCC(=O)N[C@H](COC)c2nnn[n-]2)n1 ZINC001455736843 1012496708 /nfs/dbraw/zinc/49/67/08/1012496708.db2.gz LXMMPJOEMNDQJC-MRVPVSSYSA-N -1 0 309.330 -0.028 20 0 DBADRM NC(=O)c1cc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)c[nH]1 ZINC001455737804 1012497648 /nfs/dbraw/zinc/49/76/48/1012497648.db2.gz APJQVEQUXVWVDU-QMMMGPOBSA-N -1 0 303.326 -0.278 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1nnn[n-]1 ZINC001455738671 1012501051 /nfs/dbraw/zinc/50/10/51/1012501051.db2.gz QCMWJPHVNWYAEO-LDYMZIIASA-N -1 0 305.294 -0.157 20 0 DBADRM O=C(CNC(=O)N1CCCC1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001455740224 1012501830 /nfs/dbraw/zinc/50/18/30/1012501830.db2.gz GZEOUKOQNIARJY-LLVKDONJSA-N -1 0 321.385 -0.214 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC([C@H]2COC(=O)N2)CC1 ZINC001456553034 1012755463 /nfs/dbraw/zinc/75/54/63/1012755463.db2.gz AEYGRWQSVBKZSI-SSDOTTSWSA-N -1 0 309.282 -0.757 20 0 DBADRM CCS(=O)(=O)Nc1cccc(C(=O)NCC(=O)[N-]OC)c1 ZINC001456586189 1012766400 /nfs/dbraw/zinc/76/64/00/1012766400.db2.gz CPUAKPCTWUEYKD-UHFFFAOYSA-N -1 0 315.351 -0.144 20 0 DBADRM C[C@H](NC(=O)CCN1CCCS1(=O)=O)c1nn(C)cc1[O-] ZINC001456795435 1012817500 /nfs/dbraw/zinc/81/75/00/1012817500.db2.gz PWPHLIDOBSLBQH-VIFPVBQESA-N -1 0 316.383 -0.272 20 0 DBADRM C[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)c1nn(C)cc1[O-] ZINC001456791694 1012817524 /nfs/dbraw/zinc/81/75/24/1012817524.db2.gz VNABXJUBOPXNDA-QMMMGPOBSA-N -1 0 319.387 -0.959 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001456896657 1012829775 /nfs/dbraw/zinc/82/97/75/1012829775.db2.gz KUNQZBRGRMAFCL-GJMOJQLCSA-N -1 0 309.326 -0.437 20 0 DBADRM Cn1nc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1C(F)(F)F ZINC001456993125 1012843604 /nfs/dbraw/zinc/84/36/04/1012843604.db2.gz VLHXGIVVKLQZQC-UHFFFAOYSA-N -1 0 320.231 -0.242 20 0 DBADRM CCC(=O)NC[C@@H](C)CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001457232286 1012855377 /nfs/dbraw/zinc/85/53/77/1012855377.db2.gz BBJXHPWNQQJYKQ-MRVPVSSYSA-N -1 0 311.342 -0.506 20 0 DBADRM C[C@@H]1CCCN(C(=O)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001457315410 1012872009 /nfs/dbraw/zinc/87/20/09/1012872009.db2.gz YEYNVTDQJQJECO-SECBINFHSA-N -1 0 311.342 -0.546 20 0 DBADRM CC(C)(F)C(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001485011086 1012940224 /nfs/dbraw/zinc/94/02/24/1012940224.db2.gz BGHCTLYTOYWOMP-UHFFFAOYSA-N -1 0 315.349 -0.299 20 0 DBADRM CCCNC(=O)NC(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001595926618 1017111314 /nfs/dbraw/zinc/11/13/14/1017111314.db2.gz RJFQUPURCFJGDD-LLVKDONJSA-N -1 0 301.343 -0.620 20 0 DBADRM CCCc1nnc(SCC(=O)N(C)[C@@H](C)C(=O)[O-])n1N ZINC001596095247 1017112243 /nfs/dbraw/zinc/11/22/43/1017112243.db2.gz HUXPDQVFBBLYGN-ZETCQYMHSA-N -1 0 301.372 -0.032 20 0 DBADRM CCCc1nnc(NC(=O)NCC(=O)NCC(=O)[O-])s1 ZINC001596095780 1017112554 /nfs/dbraw/zinc/11/25/54/1017112554.db2.gz UFJBDXIMFPOXHU-UHFFFAOYSA-N -1 0 301.328 -0.187 20 0 DBADRM CCC[C@H](NC(=O)C1CCN(S(=O)(=O)NC)CC1)C(=O)[O-] ZINC001596015528 1017112884 /nfs/dbraw/zinc/11/28/84/1017112884.db2.gz HVLMWVCTJFKXKJ-JTQLQIEISA-N -1 0 321.399 -0.468 20 0 DBADRM CCCn1cc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)cn1 ZINC001596116718 1017114793 /nfs/dbraw/zinc/11/47/93/1017114793.db2.gz OFNNNYCFRZKVAW-UHFFFAOYSA-N -1 0 324.337 -0.330 20 0 DBADRM CCNC(=O)CCC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001596457188 1017149717 /nfs/dbraw/zinc/14/97/17/1017149717.db2.gz QFWFLFFYEPPASF-DTWKUNHWSA-N -1 0 300.311 -0.765 20 0 DBADRM CCN(C)C(=O)CCN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001596183845 1017117184 /nfs/dbraw/zinc/11/71/84/1017117184.db2.gz QXNIHGLJLKYDNB-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C/C(C)=C\C(=O)[O-] ZINC001596207207 1017120515 /nfs/dbraw/zinc/12/05/15/1017120515.db2.gz RBBKTIHMFMMCNO-YAEJEKNGSA-N -1 0 318.395 -0.358 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)Cn1cnc(C(=O)[O-])cc1=O ZINC001596203415 1017120822 /nfs/dbraw/zinc/12/08/22/1017120822.db2.gz IEECTGVTHCQMFM-UHFFFAOYSA-N -1 0 324.337 -0.685 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)c1ccc(C(=O)[O-])n1C ZINC001596495827 1017154449 /nfs/dbraw/zinc/15/44/49/1017154449.db2.gz KEAADMZLIAHSLN-UHFFFAOYSA-N -1 0 303.340 -0.608 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001596294349 1017123688 /nfs/dbraw/zinc/12/36/88/1017123688.db2.gz UCBIAZCNCVIQQX-UHFFFAOYSA-N -1 0 306.384 -0.222 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1ncccn1 ZINC001596333519 1017128377 /nfs/dbraw/zinc/12/83/77/1017128377.db2.gz RMUKLMWEOSANMB-ZJUUUORDSA-N -1 0 306.322 -0.224 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1cnnn1CC ZINC001596331493 1017128552 /nfs/dbraw/zinc/12/85/52/1017128552.db2.gz BGOMOYPWZAGPNC-UWVGGRQHSA-N -1 0 323.353 -0.403 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)CN(C)C(C)=O ZINC001596333347 1017128585 /nfs/dbraw/zinc/12/85/85/1017128585.db2.gz QLANLNUNPPDBBN-GHMZBOCLSA-N -1 0 313.354 -0.850 20 0 DBADRM CCN(CCCNC(=O)c1nnc[nH]1)c1ncc(C(=O)[O-])cn1 ZINC001596328750 1017128595 /nfs/dbraw/zinc/12/85/95/1017128595.db2.gz XUQORRYWUXMSOG-UHFFFAOYSA-N -1 0 319.325 -0.061 20 0 DBADRM CCN(CCNC(=O)[C@H]1COC(=O)N1)c1ccnc(C(=O)[O-])n1 ZINC001596331471 1017129179 /nfs/dbraw/zinc/12/91/79/1017129179.db2.gz AUSRLTIARBARQJ-MRVPVSSYSA-N -1 0 323.309 -0.774 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)Cc1cncn1C ZINC001596332945 1017129278 /nfs/dbraw/zinc/12/92/78/1017129278.db2.gz MWTMRHZKFYUNOC-NEPJUHHUSA-N -1 0 322.365 -0.352 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001596328642 1017129468 /nfs/dbraw/zinc/12/94/68/1017129468.db2.gz ULZMGJRISIXEOZ-NHYWBVRUSA-N -1 0 312.366 -0.069 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001596327304 1017129539 /nfs/dbraw/zinc/12/95/39/1017129539.db2.gz XXKLWJSOBKFPJO-FHUSYTEZSA-N -1 0 324.377 -0.046 20 0 DBADRM CCN(CCNC(=O)CCc1cn[nH]n1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596333976 1017130837 /nfs/dbraw/zinc/13/08/37/1017130837.db2.gz YBKXZIMPUHJLAO-MNOVXSKESA-N -1 0 323.353 -0.577 20 0 DBADRM CCN(CCNCc1ncnn1CC)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596339666 1017131123 /nfs/dbraw/zinc/13/11/23/1017131123.db2.gz NYVUYTMNMFWDOT-MNOVXSKESA-N -1 0 309.370 -0.043 20 0 DBADRM CCN(CCNC(=O)CCc1cn[nH]n1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596333974 1017132084 /nfs/dbraw/zinc/13/20/84/1017132084.db2.gz YBKXZIMPUHJLAO-GHMZBOCLSA-N -1 0 323.353 -0.577 20 0 DBADRM CCN(CCNc1ccnc(C(=O)[O-])n1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001596339185 1017132239 /nfs/dbraw/zinc/13/22/39/1017132239.db2.gz FMMNQMUNCUQMTL-IAZYJMLFSA-N -1 0 320.349 -0.251 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001596383743 1017133195 /nfs/dbraw/zinc/13/31/95/1017133195.db2.gz FUQGJZVMKMUHCH-ZJUUUORDSA-N -1 0 322.383 -0.041 20 0 DBADRM CCN(CCSC)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001596347258 1017135076 /nfs/dbraw/zinc/13/50/76/1017135076.db2.gz NUIOUJPAYZRBAD-NXEZZACHSA-N -1 0 318.395 -0.508 20 0 DBADRM CCN1C[C@@H](C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])CC1=O ZINC001596394342 1017137302 /nfs/dbraw/zinc/13/73/02/1017137302.db2.gz HOZIXMHTOOUYOP-HZMBPMFUSA-N -1 0 308.338 -0.289 20 0 DBADRM CCN1C[C@H](S(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)CC1=O ZINC001596402911 1017139306 /nfs/dbraw/zinc/13/93/06/1017139306.db2.gz RLYFQSCPBJFJMP-SKDRFNHKSA-N -1 0 320.367 -0.982 20 0 DBADRM CCN1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1=O ZINC001596425333 1017144349 /nfs/dbraw/zinc/14/43/49/1017144349.db2.gz UHEOMZUNMVZGTP-AOOOYVTPSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN1CCO[C@@H](C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC001596442918 1017145531 /nfs/dbraw/zinc/14/55/31/1017145531.db2.gz WOLOVTMIARIQQE-NEPJUHHUSA-N -1 0 300.355 -0.609 20 0 DBADRM CCN1CCN(CC(=O)NC2CC(CC(=O)[O-])C2)C(=O)C1=O ZINC001596431521 1017145672 /nfs/dbraw/zinc/14/56/72/1017145672.db2.gz XUXUAGGIGKKGBK-UHFFFAOYSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)CC1=O ZINC001596434400 1017146337 /nfs/dbraw/zinc/14/63/37/1017146337.db2.gz OTOMJGHSLSSBTQ-UHFFFAOYSA-N -1 0 306.322 -0.118 20 0 DBADRM CCNC(=O)CC(=O)NCCCNc1ncc(C(=O)[O-])cn1 ZINC001596456160 1017148681 /nfs/dbraw/zinc/14/86/81/1017148681.db2.gz HRSOVJQNQQJXKJ-UHFFFAOYSA-N -1 0 309.326 -0.381 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001596451874 1017148867 /nfs/dbraw/zinc/14/88/67/1017148867.db2.gz LJHUNRVKSMIIDN-SSDOTTSWSA-N -1 0 310.310 -0.399 20 0 DBADRM CCNC(=O)CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001596457191 1017149816 /nfs/dbraw/zinc/14/98/16/1017149816.db2.gz QFWFLFFYEPPASF-RKDXNWHRSA-N -1 0 300.311 -0.765 20 0 DBADRM CCNC(=O)CC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001596456165 1017150135 /nfs/dbraw/zinc/15/01/35/1017150135.db2.gz HVSOULUQRWFDDU-SECBINFHSA-N -1 0 321.337 -0.864 20 0 DBADRM CCNC(=O)NCCNC(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001596470783 1017151125 /nfs/dbraw/zinc/15/11/25/1017151125.db2.gz HJZGYOBPIIJDIA-UHFFFAOYSA-N -1 0 324.341 -0.032 20 0 DBADRM CCNC(=O)N1CC[C@@H](N2C(=O)N[C@H](CCC(=O)[O-])C2=O)C1 ZINC001596468894 1017151168 /nfs/dbraw/zinc/15/11/68/1017151168.db2.gz ZJKLPFRROJMSGO-RKDXNWHRSA-N -1 0 312.326 -0.425 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)c2cc(C(=O)[O-])nn2C)CC1 ZINC001596461470 1017152159 /nfs/dbraw/zinc/15/21/59/1017152159.db2.gz AWEDTPKWVJEORE-UHFFFAOYSA-N -1 0 323.353 -0.988 20 0 DBADRM CCOC(=O)[C@H](F)C1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)C1 ZINC001596534785 1017156973 /nfs/dbraw/zinc/15/69/73/1017156973.db2.gz KDCVLABXORKOJU-IVZWLZJFSA-N -1 0 303.286 -0.022 20 0 DBADRM CCOC(=O)C1(C(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)CC1 ZINC001596542360 1017156991 /nfs/dbraw/zinc/15/69/91/1017156991.db2.gz ATLUKMKBPRZLMR-BDAKNGLRSA-N -1 0 313.306 -0.338 20 0 DBADRM CCOC(=O)[C@H](C[C@@H]1CCCO1)N[C@@H](C)C(=O)NCC(=O)[O-] ZINC001596527550 1017157400 /nfs/dbraw/zinc/15/74/00/1017157400.db2.gz JASSBRYJFQFARV-DCAQKATOSA-N -1 0 316.354 -0.334 20 0 DBADRM CCOC(=O)C1(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])CCC1 ZINC001596543595 1017157565 /nfs/dbraw/zinc/15/75/65/1017157565.db2.gz UTXHEYUAABMDFF-MRVPVSSYSA-N -1 0 301.295 -0.148 20 0 DBADRM CCOC(=O)[C@@H](N)C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001596533869 1017157588 /nfs/dbraw/zinc/15/75/88/1017157588.db2.gz BMCJOVQMBWRNJN-QMMMGPOBSA-N -1 0 315.713 -0.060 20 0 DBADRM CCOC(=O)C1(C(=O)NC[C@@H](O)CC(=O)[O-])CCOCC1 ZINC001596543428 1017157823 /nfs/dbraw/zinc/15/78/23/1017157823.db2.gz JHRZYTLPOLTGOP-VIFPVBQESA-N -1 0 303.311 -0.702 20 0 DBADRM CCOC(=O)[C@@H](F)C1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)C1 ZINC001596534783 1017157952 /nfs/dbraw/zinc/15/79/52/1017157952.db2.gz KDCVLABXORKOJU-AEJSXWLSSA-N -1 0 303.286 -0.022 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001596593765 1017159842 /nfs/dbraw/zinc/15/98/42/1017159842.db2.gz AXLHAHQDOGYBHB-BDAKNGLRSA-N -1 0 319.310 -0.977 20 0 DBADRM CCOC(=O)C[C@@H](C)CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC001596592377 1017160311 /nfs/dbraw/zinc/16/03/11/1017160311.db2.gz HVGCMNDENCGCLU-SECBINFHSA-N -1 0 310.372 -0.183 20 0 DBADRM CCOC(=O)[C@H]1CN(CC(=O)NCCC(=O)[O-])CC12COC2 ZINC001596585791 1017160382 /nfs/dbraw/zinc/16/03/82/1017160382.db2.gz TVZWHEPUVVGPTA-SNVBAGLBSA-N -1 0 314.338 -0.911 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001596576487 1017160540 /nfs/dbraw/zinc/16/05/40/1017160540.db2.gz SIMCWGAWRVROPU-UTLUCORTSA-N -1 0 320.367 -0.289 20 0 DBADRM CCOC(=O)[C@H]1CN(Cn2cc(C(=O)[O-])nn2)CC12COC2 ZINC001596585532 1017161267 /nfs/dbraw/zinc/16/12/67/1017161267.db2.gz OQMGVIYFUWTMIG-SECBINFHSA-N -1 0 310.310 -0.555 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC001596594828 1017162411 /nfs/dbraw/zinc/16/24/11/1017162411.db2.gz NNPJXXLOMRIPRG-UTLUCORTSA-N -1 0 303.311 -0.609 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)NCc1ncc(C(=O)[O-])s1 ZINC001596595868 1017163697 /nfs/dbraw/zinc/16/36/97/1017163697.db2.gz VZNFDUQEYKPARU-ZCFIWIBFSA-N -1 0 302.308 -0.228 20 0 DBADRM CCOC(=O)COCCNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001596629190 1017165119 /nfs/dbraw/zinc/16/51/19/1017165119.db2.gz NPOHXZOPOWYLEV-FXPVBKGRSA-N -1 0 303.311 -0.440 20 0 DBADRM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@@H](C)CC(=O)[O-])C1 ZINC001596643229 1017165309 /nfs/dbraw/zinc/16/53/09/1017165309.db2.gz QBNNRMBUKAYOCL-IVZWLZJFSA-N -1 0 302.327 -0.337 20 0 DBADRM CCOC(=O)c1cnc(C)c(C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC001596738779 1017168686 /nfs/dbraw/zinc/16/86/86/1017168686.db2.gz DLGSLPHDBOLQJE-UHFFFAOYSA-N -1 0 324.289 -0.076 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001596683660 1017168774 /nfs/dbraw/zinc/16/87/74/1017168774.db2.gz NNDXBVXNYVSCAP-KYXWUPHJSA-N -1 0 313.306 -0.482 20 0 DBADRM CCO[C@@H]1[C@H](C)[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001596796337 1017170304 /nfs/dbraw/zinc/17/03/04/1017170304.db2.gz GIYOZIVLDJGENK-ZYUZMQFOSA-N -1 0 305.352 -0.632 20 0 DBADRM CCO[C@@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])[C@@H]1CCOC1 ZINC001596767595 1017171408 /nfs/dbraw/zinc/17/14/08/1017171408.db2.gz OQVUORCOOWWICN-YUSALJHKSA-N -1 0 311.338 -0.037 20 0 DBADRM CCO[C@@H]1C[C@](NC(=O)CCNC(=O)CO)(C(=O)[O-])C1(C)C ZINC001596819065 1017172776 /nfs/dbraw/zinc/17/27/76/1017172776.db2.gz ZZLJINGOUHMQSZ-OTYXRUKQSA-N -1 0 316.354 -0.740 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001596859453 1017172993 /nfs/dbraw/zinc/17/29/93/1017172993.db2.gz CFLJBCVJKAJGRH-NXEZZACHSA-N -1 0 310.372 -0.579 20 0 DBADRM CCO[C@H]1C[C@](NS(=O)(=O)C2COC2)(C(=O)[O-])C1(C)C ZINC001596836538 1017173020 /nfs/dbraw/zinc/17/30/20/1017173020.db2.gz DMOGPTCFTXBQMR-CABZTGNLSA-N -1 0 307.368 -0.037 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@H](C)NS(=O)(=O)CC ZINC001596868421 1017173420 /nfs/dbraw/zinc/17/34/20/1017173420.db2.gz KLYWTJQPJNWNAM-IUCAKERBSA-N -1 0 310.372 -0.738 20 0 DBADRM CCO[C@H]1COCC[C@H]1CC(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001596855967 1017174374 /nfs/dbraw/zinc/17/43/74/1017174374.db2.gz YWKNCGYNGGSHIP-AYGWYOGXSA-N -1 0 301.339 -0.088 20 0 DBADRM CCOC1CC2(C[C@H]2C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])C1 ZINC001596847576 1017174246 /nfs/dbraw/zinc/17/42/46/1017174246.db2.gz WWUZNFLVFWKAHG-FMCALUSXSA-N -1 0 310.350 -0.055 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CN1CCN(C2CC2)C1=O ZINC001596871968 1017174347 /nfs/dbraw/zinc/17/43/47/1017174347.db2.gz AWIXSOJCPHLWIJ-NSHDSACASA-N -1 0 313.354 -0.166 20 0 DBADRM CCOCCCNC(=O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001596916302 1017178991 /nfs/dbraw/zinc/17/89/91/1017178991.db2.gz AHBJZBXKHFQZLR-JTQLQIEISA-N -1 0 318.395 -0.195 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CN1CCCCS1(=O)=O ZINC001596872627 1017176773 /nfs/dbraw/zinc/17/67/73/1017176773.db2.gz NTADKLSBLQBTSQ-SNVBAGLBSA-N -1 0 322.383 -0.640 20 0 DBADRM CCOCC[C@@H](O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001596899116 1017177660 /nfs/dbraw/zinc/17/76/60/1017177660.db2.gz ITCQWOQCGTWRNA-WDEREUQCSA-N -1 0 309.384 -0.652 20 0 DBADRM CCOCCCCNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001596907372 1017178952 /nfs/dbraw/zinc/17/89/52/1017178952.db2.gz FAQBTEJYEPYESB-NSHDSACASA-N -1 0 316.354 -0.379 20 0 DBADRM CCOCCOCCNC(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001596937610 1017180508 /nfs/dbraw/zinc/18/05/08/1017180508.db2.gz HFDILTBLYQBAOQ-ZDUSSCGKSA-N -1 0 304.343 -0.075 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001596944115 1017181025 /nfs/dbraw/zinc/18/10/25/1017181025.db2.gz HQTTXUNIVKCENR-SNVBAGLBSA-N -1 0 320.367 -0.768 20 0 DBADRM CCOCCOC[C@H](O)CNC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001596933918 1017181035 /nfs/dbraw/zinc/18/10/35/1017181035.db2.gz FFIOVQZIKZNISP-GWMXKSKGSA-N -1 0 301.339 -0.229 20 0 DBADRM CCOCCO[C@H]1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001596938566 1017181089 /nfs/dbraw/zinc/18/10/89/1017181089.db2.gz UPFUWLRWQPPZFG-JTQLQIEISA-N -1 0 312.326 -0.370 20 0 DBADRM CCON(C)C(=O)CN1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001596963030 1017183162 /nfs/dbraw/zinc/18/31/62/1017183162.db2.gz CXDGJONUJLENAM-BDAKNGLRSA-N -1 0 313.310 -0.476 20 0 DBADRM CCON(C)C(=O)CNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001596964599 1017183832 /nfs/dbraw/zinc/18/38/32/1017183832.db2.gz XRVCFTQKDFRWFN-IUCAKERBSA-N -1 0 303.315 -0.720 20 0 DBADRM CCOc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001596997885 1017183857 /nfs/dbraw/zinc/18/38/57/1017183857.db2.gz KMVRXSJFFCASKL-RKDXNWHRSA-N -1 0 322.321 -0.530 20 0 DBADRM CCOc1ccncc1S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-] ZINC001597186761 1017186342 /nfs/dbraw/zinc/18/63/42/1017186342.db2.gz ZBWDYXDRMGRVAA-JTQLQIEISA-N -1 0 318.351 -0.017 20 0 DBADRM CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(N)=O ZINC001597069013 1017186905 /nfs/dbraw/zinc/18/69/05/1017186905.db2.gz SUERMAGPPOKRNU-ZETCQYMHSA-N -1 0 316.335 -0.064 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001597186664 1017187115 /nfs/dbraw/zinc/18/71/15/1017187115.db2.gz VSGVKFVPYZCDOB-NSHDSACASA-N -1 0 304.324 -0.406 20 0 DBADRM CCOc1ccc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])cn1 ZINC001597060168 1017187190 /nfs/dbraw/zinc/18/71/90/1017187190.db2.gz PGQYSZRWHQYRPJ-SNVBAGLBSA-N -1 0 305.294 -0.045 20 0 DBADRM CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC(N)=O ZINC001597068235 1017187198 /nfs/dbraw/zinc/18/71/98/1017187198.db2.gz PZSHLQJUAVXEIP-UHFFFAOYSA-N -1 0 316.335 -0.063 20 0 DBADRM CCS(=O)(=O)CCNS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001597214084 1017188614 /nfs/dbraw/zinc/18/86/14/1017188614.db2.gz OTZSHDRNAOMKKL-UHFFFAOYSA-N -1 0 301.386 -0.549 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001597225231 1017192423 /nfs/dbraw/zinc/19/24/23/1017192423.db2.gz OSKDEVDRJKMZHU-LLVKDONJSA-N -1 0 308.356 -0.934 20 0 DBADRM Cc1cccc(C(=O)NCCNC(=O)CCc2nnn[n-]2)c1 ZINC001597237576 1017192563 /nfs/dbraw/zinc/19/25/63/1017192563.db2.gz QBRZWYPUZYIDGR-UHFFFAOYSA-N -1 0 302.338 -0.013 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001597251781 1017195494 /nfs/dbraw/zinc/19/54/94/1017195494.db2.gz WIENBVLNNHJLCT-WNWIJWBNSA-N -1 0 302.349 -0.153 20 0 DBADRM CC[C@H](C)[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(N)=O ZINC001597324728 1017196344 /nfs/dbraw/zinc/19/63/44/1017196344.db2.gz QBCREEHDSMWJDS-RCOVLWMOSA-N -1 0 303.340 -0.109 20 0 DBADRM CCc1cc(CC(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n(C)n1 ZINC001597471511 1017197885 /nfs/dbraw/zinc/19/78/85/1017197885.db2.gz PRWVXSLQIGYINV-VXGBXAGGSA-N -1 0 322.365 -0.522 20 0 DBADRM CCc1n[nH]cc1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597399612 1017198486 /nfs/dbraw/zinc/19/84/86/1017198486.db2.gz JWLSZLSMUVTHTR-DTWKUNHWSA-N -1 0 306.322 -0.367 20 0 DBADRM CCc1cc(CC(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n(C)n1 ZINC001597471509 1017198933 /nfs/dbraw/zinc/19/89/33/1017198933.db2.gz PRWVXSLQIGYINV-NWDGAFQWSA-N -1 0 322.365 -0.522 20 0 DBADRM CCc1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n(C)n1 ZINC001597429599 1017199047 /nfs/dbraw/zinc/19/90/47/1017199047.db2.gz LDZNEKCEQBVLFT-QWRGUYRKSA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1c[nH]c(CC(=O)NCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001597627884 1017200272 /nfs/dbraw/zinc/20/02/72/1017200272.db2.gz XGJMKDCUSLPCJM-MNOVXSKESA-N -1 0 322.365 -0.190 20 0 DBADRM CCc1c[nH]c(CC(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)n1 ZINC001597626077 1017200693 /nfs/dbraw/zinc/20/06/93/1017200693.db2.gz JHAVYHRZPYNUEV-VHSXEESVSA-N -1 0 309.322 -0.153 20 0 DBADRM CCc1n[nH]c(C(=O)N[C@@H](CO)C(=O)[O-])c1Br ZINC001597645302 1017202222 /nfs/dbraw/zinc/20/22/22/1017202222.db2.gz YPSSCESRXAVHPW-YFKPBYRVSA-N -1 0 306.116 -0.090 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)nn1C ZINC001597478225 1017202379 /nfs/dbraw/zinc/20/23/79/1017202379.db2.gz VPUGPSBMTLTETR-WCBMZHEXSA-N -1 0 324.337 -0.785 20 0 DBADRM CCc1nc[nH]c1C(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597697441 1017203254 /nfs/dbraw/zinc/20/32/54/1017203254.db2.gz FDALSCINXNWWCS-VHSXEESVSA-N -1 0 320.349 -0.119 20 0 DBADRM CCc1nnc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)[nH]1 ZINC001597669022 1017203555 /nfs/dbraw/zinc/20/35/55/1017203555.db2.gz QUMVYLQNTONAAR-MRVPVSSYSA-N -1 0 309.326 -0.694 20 0 DBADRM CCc1nc[nH]c1C(=O)NCC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597697442 1017203759 /nfs/dbraw/zinc/20/37/59/1017203759.db2.gz FDALSCINXNWWCS-ZJUUUORDSA-N -1 0 320.349 -0.119 20 0 DBADRM CCc1nc[nH]c1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001597698221 1017203857 /nfs/dbraw/zinc/20/38/57/1017203857.db2.gz YPDCAIVSPZHZSR-UHFFFAOYSA-N -1 0 304.310 -0.276 20 0 DBADRM CCc1nc[nH]c1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597697439 1017204234 /nfs/dbraw/zinc/20/42/34/1017204234.db2.gz FDALSCINXNWWCS-NXEZZACHSA-N -1 0 320.349 -0.119 20 0 DBADRM CCc1nc[nH]c1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001597698054 1017204336 /nfs/dbraw/zinc/20/43/36/1017204336.db2.gz VAQKMFDQOHGRKK-HNNXBMFYSA-N -1 0 322.365 -0.026 20 0 DBADRM CCc1nnc(CNS(=O)(=O)c2cccnc2C(=O)[O-])[nH]1 ZINC001597674074 1017204403 /nfs/dbraw/zinc/20/44/03/1017204403.db2.gz PVDBLQWFVZSNRE-UHFFFAOYSA-N -1 0 311.323 -0.061 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CO)COC ZINC001597781271 1017206240 /nfs/dbraw/zinc/20/62/40/1017206240.db2.gz URVCKKGSJSKMIA-ZETCQYMHSA-N -1 0 307.324 -0.174 20 0 DBADRM CCc1nncn1CCN1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001597735502 1017206243 /nfs/dbraw/zinc/20/62/43/1017206243.db2.gz FZMULVADQMGFHS-VHSXEESVSA-N -1 0 321.337 -0.032 20 0 DBADRM CCc1nncn1CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001597735836 1017206598 /nfs/dbraw/zinc/20/65/98/1017206598.db2.gz KOFYQKPFKHRODI-UWVGGRQHSA-N -1 0 323.353 -0.722 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001597723596 1017206607 /nfs/dbraw/zinc/20/66/07/1017206607.db2.gz NKKAJYGAOPMKSH-LLVKDONJSA-N -1 0 303.340 -0.496 20 0 DBADRM CCn1cc(C(=O)NC[C@@H](C)Nc2ccnc(C(=O)[O-])n2)nn1 ZINC001597874058 1017207813 /nfs/dbraw/zinc/20/78/13/1017207813.db2.gz GIIMUVAVERCBDC-MRVPVSSYSA-N -1 0 319.325 -0.562 20 0 DBADRM CCc1ocnc1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597811190 1017208178 /nfs/dbraw/zinc/20/81/78/1017208178.db2.gz ZQICAVGQCIFYLN-DTWKUNHWSA-N -1 0 307.306 -0.102 20 0 DBADRM CCn1c(=O)[nH]c2cc(C(=O)N[C@H](CO)C(=O)[O-])ccc2c1=O ZINC001597831218 1017208196 /nfs/dbraw/zinc/20/81/96/1017208196.db2.gz BAWQXYQKMHLANY-SNVBAGLBSA-N -1 0 321.289 -0.703 20 0 DBADRM CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC001597843118 1017208445 /nfs/dbraw/zinc/20/84/45/1017208445.db2.gz GYZIWJUUUAEYPI-VHSXEESVSA-N -1 0 323.353 -0.071 20 0 DBADRM CCn1cc(CC(=O)N2C[C@@H](C(=O)OC)CC[C@H]2C(=O)[O-])nn1 ZINC001597881294 1017211263 /nfs/dbraw/zinc/21/12/63/1017211263.db2.gz WIKFLYSPVIBVRE-ONGXEEELSA-N -1 0 324.337 -0.295 20 0 DBADRM CCn1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(C)n1 ZINC001597875280 1017211317 /nfs/dbraw/zinc/21/13/17/1017211317.db2.gz HGFSIKMTTLEKBA-SNVBAGLBSA-N -1 0 315.351 -0.465 20 0 DBADRM CCn1cc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001597898141 1017212591 /nfs/dbraw/zinc/21/25/91/1017212591.db2.gz IOVSUZVFUUAMHT-DTWKUNHWSA-N -1 0 303.340 -0.641 20 0 DBADRM CCn1ccc(CNC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001597905376 1017213642 /nfs/dbraw/zinc/21/36/42/1017213642.db2.gz YTTAYYDQENSFOY-JGZJWPJOSA-N -1 0 308.338 -0.159 20 0 DBADRM CCn1ccnc1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001597910918 1017213788 /nfs/dbraw/zinc/21/37/88/1017213788.db2.gz KTLAFBRPNMAGEP-WDEREUQCSA-N -1 0 320.349 -0.092 20 0 DBADRM CCn1ccnc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597914962 1017214332 /nfs/dbraw/zinc/21/43/32/1017214332.db2.gz NMXKIXCQQYZMPG-MNOVXSKESA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])nc1C ZINC001597898253 1017214673 /nfs/dbraw/zinc/21/46/73/1017214673.db2.gz NXCOJAOHXACEPO-GXSJLCMTSA-N -1 0 317.367 -0.190 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)cn1 ZINC001597898244 1017214821 /nfs/dbraw/zinc/21/48/21/1017214821.db2.gz NKHBFXJRPBZVSE-MWLCHTKSSA-N -1 0 317.367 -0.081 20 0 DBADRM CCn1nc(C)cc1NC(=O)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001597945022 1017215980 /nfs/dbraw/zinc/21/59/80/1017215980.db2.gz SUYYEQSLWWHNIE-MWLCHTKSSA-N -1 0 324.337 -0.414 20 0 DBADRM CCn1nc(C(=O)NCC2(C(=O)[O-])CCOCC2)ccc1=O ZINC001597926990 1017216120 /nfs/dbraw/zinc/21/61/20/1017216120.db2.gz UOSHQGUCTSVXBM-UHFFFAOYSA-N -1 0 309.322 -0.126 20 0 DBADRM CCn1ncc(C(=O)N[C@H](CO)C(=O)[O-])c1Br ZINC001597949843 1017216278 /nfs/dbraw/zinc/21/62/78/1017216278.db2.gz GKUOFOXRRCDRIR-ZCFIWIBFSA-N -1 0 306.116 -0.159 20 0 DBADRM CCn1nc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])ccc1=O ZINC001597927017 1017216346 /nfs/dbraw/zinc/21/63/46/1017216346.db2.gz VYRWHUBDNXZIBP-JTQLQIEISA-N -1 0 305.294 -0.657 20 0 DBADRM CCn1nc(C)c(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1 ZINC001597933335 1017216765 /nfs/dbraw/zinc/21/67/65/1017216765.db2.gz HNTPTAQEUABFTF-JTQLQIEISA-N -1 0 323.353 -0.454 20 0 DBADRM CCn1nc(C)cc1NC(=O)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001597945016 1017217069 /nfs/dbraw/zinc/21/70/69/1017217069.db2.gz SUYYEQSLWWHNIE-GXSJLCMTSA-N -1 0 324.337 -0.414 20 0 DBADRM COc1ccccc1-c1nnc(CC(=O)[N-]OCC(N)=O)o1 ZINC001597918201 1017217416 /nfs/dbraw/zinc/21/74/16/1017217416.db2.gz WUZLIZJBSKVIOR-UHFFFAOYSA-N -1 0 306.278 -0.179 20 0 DBADRM CCn1ncc(C[NH2+]CCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001597957290 1017218664 /nfs/dbraw/zinc/21/86/64/1017218664.db2.gz PZWSYRSQNZYJQU-NWDGAFQWSA-N -1 0 309.370 -0.043 20 0 DBADRM CCn1nccc1CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001597965638 1017218911 /nfs/dbraw/zinc/21/89/11/1017218911.db2.gz JBSGFCUKBUCYEE-UHFFFAOYSA-N -1 0 313.339 -0.337 20 0 DBADRM CCn1ncc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001597950879 1017218955 /nfs/dbraw/zinc/21/89/55/1017218955.db2.gz SJIBONAQNRZLDE-UWVGGRQHSA-N -1 0 321.337 -0.699 20 0 DBADRM CCn1ncc(C(=O)NCCN(C)c2ncc(C(=O)[O-])cn2)n1 ZINC001597953946 1017219346 /nfs/dbraw/zinc/21/93/46/1017219346.db2.gz WOHYZQASFATKPM-UHFFFAOYSA-N -1 0 319.325 -0.348 20 0 DBADRM CCn1nncc1C(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001597973804 1017221666 /nfs/dbraw/zinc/22/16/66/1017221666.db2.gz GJZPHLLHFNIOFC-RKDXNWHRSA-N -1 0 310.310 -0.224 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@H](CC(N)=O)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597982626 1017224425 /nfs/dbraw/zinc/22/44/25/1017224425.db2.gz QQXGJUAQBNQUSX-BBBLOLIVSA-N -1 0 311.338 -0.968 20 0 DBADRM CN(C(=O)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597981695 1017224975 /nfs/dbraw/zinc/22/49/75/1017224975.db2.gz FTEPFJXDKXVHOI-QMNVILFCSA-N -1 0 322.361 -0.152 20 0 DBADRM CN(C)c1cc(C(=O)NCCC(=O)NCCC(=O)[O-])ccn1 ZINC001598287457 1017255870 /nfs/dbraw/zinc/25/58/70/1017255870.db2.gz DUVJIHHICQPUKS-UHFFFAOYSA-N -1 0 308.338 -0.142 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])nc1 ZINC001598277093 1017255899 /nfs/dbraw/zinc/25/58/99/1017255899.db2.gz MIRZVULCAUJKNF-DTWKUNHWSA-N -1 0 313.335 -0.009 20 0 DBADRM CN(CCOCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1cc[nH]c1 ZINC001598497869 1017292738 /nfs/dbraw/zinc/29/27/38/1017292738.db2.gz NTABPZXLTWPFAB-NWDGAFQWSA-N -1 0 323.349 -0.060 20 0 DBADRM CN(CCOCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1ccc[nH]1 ZINC001598498432 1017292753 /nfs/dbraw/zinc/29/27/53/1017292753.db2.gz XNHQNTZBLODAFF-GHMZBOCLSA-N -1 0 323.349 -0.060 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C[C@H](O)Cc2ccc(F)cc2)CC1=O ZINC001598562979 1017304949 /nfs/dbraw/zinc/30/49/49/1017304949.db2.gz HTONPKNVECZXFV-CHWSQXEVSA-N -1 0 310.325 -0.044 20 0 DBADRM CN1C[C@@H](C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)NCC1=O ZINC001598563184 1017305147 /nfs/dbraw/zinc/30/51/47/1017305147.db2.gz POLCRSPVMZARDP-NSHDSACASA-N -1 0 309.297 -0.179 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@@H]2COc3ccccc3O2)CC1=O ZINC001598563097 1017305540 /nfs/dbraw/zinc/30/55/40/1017305540.db2.gz NVMWVTOGUQHDPI-SKDRFNHKSA-N -1 0 320.301 -0.420 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2occ3c2CCOC3)CC1=O ZINC001598562598 1017305645 /nfs/dbraw/zinc/30/56/45/1017305645.db2.gz BQKCEQZAOMMSSJ-SNVBAGLBSA-N -1 0 308.290 -0.280 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1=O ZINC001598562378 1017305682 /nfs/dbraw/zinc/30/56/82/1017305682.db2.gz KEZQGEVCGAGBLR-KWQFWETISA-N -1 0 306.322 -0.732 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cc3c(cn2)OCCC3)CC1=O ZINC001598562266 1017305769 /nfs/dbraw/zinc/30/57/69/1017305769.db2.gz ISKWROVMRFWYIX-NSHDSACASA-N -1 0 319.317 -0.226 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cnn3c2CCCC3)CC1=O ZINC001598562996 1017305781 /nfs/dbraw/zinc/30/57/81/1017305781.db2.gz IBRYFJWDYMZDDZ-NSHDSACASA-N -1 0 306.322 -0.413 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cn3cccnc3n2)CC1=O ZINC001598562302 1017306163 /nfs/dbraw/zinc/30/61/63/1017306163.db2.gz JAZNSDUDYSGBIX-VIFPVBQESA-N -1 0 303.278 -0.903 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cccc3c2OCO3)CC1=O ZINC001598563958 1017307709 /nfs/dbraw/zinc/30/77/09/1017307709.db2.gz XCVMYXZXCWNDEP-SECBINFHSA-N -1 0 306.274 -0.217 20 0 DBADRM Cn1ncc2cc(C(=O)N3CC(=O)N(C)C[C@H]3C(=O)[O-])cnc21 ZINC001598564669 1017308060 /nfs/dbraw/zinc/30/80/60/1017308060.db2.gz WPTUCSFBHKRFQC-JTQLQIEISA-N -1 0 317.305 -0.664 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ncc3n2CCCC3)CC1=O ZINC001598564150 1017308123 /nfs/dbraw/zinc/30/81/23/1017308123.db2.gz QSEREMZXMUAZIV-SNVBAGLBSA-N -1 0 306.322 -0.413 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)CC1=O ZINC001598586703 1017324104 /nfs/dbraw/zinc/32/41/04/1017324104.db2.gz AGVJYVWJUMFCIF-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CN1CCC[C@H](C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])C1=O ZINC001598591683 1017324623 /nfs/dbraw/zinc/32/46/23/1017324623.db2.gz CFFIRORKSJGLOD-YGRLFVJLSA-N -1 0 308.338 -0.289 20 0 DBADRM CN1CCCC[C@H](C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])C1=O ZINC001598599324 1017326197 /nfs/dbraw/zinc/32/61/97/1017326197.db2.gz RXZMVTKKLJHOOX-GHMZBOCLSA-N -1 0 308.338 -0.289 20 0 DBADRM CN1CCC[C@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1=O ZINC001598595343 1017328967 /nfs/dbraw/zinc/32/89/67/1017328967.db2.gz AHNWOXFFCAFYQV-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1CCC[C@@H]1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001598603009 1017330982 /nfs/dbraw/zinc/33/09/82/1017330982.db2.gz YESUJIIFSZXAIN-SECBINFHSA-N -1 0 304.368 -0.771 20 0 DBADRM CN1CCN(C(=O)CNC(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC001598607588 1017336052 /nfs/dbraw/zinc/33/60/52/1017336052.db2.gz QVCLQMOBWXNWRH-UHFFFAOYSA-N -1 0 319.361 -0.183 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)NCC(=O)N2CCN(C)CC2)n1 ZINC001598608154 1017336963 /nfs/dbraw/zinc/33/69/63/1017336963.db2.gz ZFWOSZKYMUICPC-UHFFFAOYSA-N -1 0 324.341 -0.986 20 0 DBADRM CN1CCN(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1 ZINC001598621821 1017351213 /nfs/dbraw/zinc/35/12/13/1017351213.db2.gz YQPAOKWLVSURLZ-AAEUAGOBSA-N -1 0 317.411 -0.335 20 0 DBADRM CN1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)C(C)(C)C1=O ZINC001598621041 1017351229 /nfs/dbraw/zinc/35/12/29/1017351229.db2.gz LVKMOXDIHASJMM-UHFFFAOYSA-N -1 0 304.368 -0.266 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)C1=O ZINC001598624149 1017354669 /nfs/dbraw/zinc/35/46/69/1017354669.db2.gz DBZBTQJEJOMKBU-DOMZBBRYSA-N -1 0 321.333 -0.255 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)C1 ZINC001598625385 1017354757 /nfs/dbraw/zinc/35/47/57/1017354757.db2.gz KUKSKQUYZYOHJE-XWAURUHHSA-N -1 0 312.366 -0.154 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)C1=O ZINC001598624159 1017355153 /nfs/dbraw/zinc/35/51/53/1017355153.db2.gz DDUWPIFAUQNOMG-KCJUWKMLSA-N -1 0 322.321 -0.610 20 0 DBADRM Cn1c([C@@H]2COCCN2C)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001598625718 1017355888 /nfs/dbraw/zinc/35/58/88/1017355888.db2.gz RCOIINYBLSVXGY-TVQRCGJNSA-N -1 0 313.333 -0.179 20 0 DBADRM CN1CCO[C@@H](C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])C1=O ZINC001598625932 1017356535 /nfs/dbraw/zinc/35/65/35/1017356535.db2.gz QAOVXOFEQARXFB-NEPJUHHUSA-N -1 0 322.317 -0.508 20 0 DBADRM CN1CCO[C@H](C(=O)NCCOc2ccc(C(=O)[O-])cc2)C1=O ZINC001598626101 1017357746 /nfs/dbraw/zinc/35/77/46/1017357746.db2.gz SPUBKLWCUGRDPK-GFCCVEGCSA-N -1 0 322.317 -0.263 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001598630432 1017358137 /nfs/dbraw/zinc/35/81/37/1017358137.db2.gz MWQABWAQUXDQCN-RKDXNWHRSA-N -1 0 301.343 -0.453 20 0 DBADRM CNC(=O)[C@H](CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001598633582 1017360737 /nfs/dbraw/zinc/36/07/37/1017360737.db2.gz DHCKUMZGPWERCC-VIFPVBQESA-N -1 0 316.335 -0.922 20 0 DBADRM CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001598632058 1017361146 /nfs/dbraw/zinc/36/11/46/1017361146.db2.gz KUAVJEWSYZEHJS-SNVBAGLBSA-N -1 0 316.335 -0.922 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)c2cccc(CC(=O)[O-])c2)CCO1 ZINC001598636686 1017361185 /nfs/dbraw/zinc/36/11/85/1017361185.db2.gz ABNMYLDTKPSOLI-GFCCVEGCSA-N -1 0 306.318 -0.099 20 0 DBADRM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001598636676 1017361406 /nfs/dbraw/zinc/36/14/06/1017361406.db2.gz ZOLHSDJBYXKEDM-RCWTZXSCSA-N -1 0 313.354 -0.215 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598634967 1017361465 /nfs/dbraw/zinc/36/14/65/1017361465.db2.gz AXBXYECVECQAGR-RKDXNWHRSA-N -1 0 304.368 -0.315 20 0 DBADRM CNC(=O)[C@H](CO)NS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001598633526 1017362270 /nfs/dbraw/zinc/36/22/70/1017362270.db2.gz CTXPXXAGFWKLGV-LURJTMIESA-N -1 0 322.364 -0.860 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001598634479 1017362417 /nfs/dbraw/zinc/36/24/17/1017362417.db2.gz LVRZJFRNJDIKNS-LURJTMIESA-N -1 0 304.299 -0.063 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001598636670 1017362431 /nfs/dbraw/zinc/36/24/31/1017362431.db2.gz ZOLHSDJBYXKEDM-CHWFTXMASA-N -1 0 313.354 -0.215 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CCO1 ZINC001598637059 1017363340 /nfs/dbraw/zinc/36/33/40/1017363340.db2.gz GDRMYLSTQGFBSR-OUAUKWLOSA-N -1 0 313.354 -0.214 20 0 DBADRM CNC(=O)CCCC(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001598640827 1017363848 /nfs/dbraw/zinc/36/38/48/1017363848.db2.gz SJOREYYMTRYTBM-UHFFFAOYSA-N -1 0 309.326 -0.381 20 0 DBADRM CNC(=O)C[C@@H](C)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001598640399 1017364859 /nfs/dbraw/zinc/36/48/59/1017364859.db2.gz XGZXCRNKWAUSEK-SSDOTTSWSA-N -1 0 315.351 -0.109 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001598643738 1017365906 /nfs/dbraw/zinc/36/59/06/1017365906.db2.gz WFKOKAFVOIRLRH-UHFFFAOYSA-N -1 0 323.305 -0.659 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001598643268 1017366340 /nfs/dbraw/zinc/36/63/40/1017366340.db2.gz KUTSBZQNDOXQJN-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)C(=O)NC1(C(=O)[O-])CC1 ZINC001598646509 1017366377 /nfs/dbraw/zinc/36/63/77/1017366377.db2.gz DFJZEGFNQQCQKA-UHFFFAOYSA-N -1 0 319.317 -0.353 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)C[C@H](C)CC(=O)[O-])CCO1 ZINC001598651607 1017368467 /nfs/dbraw/zinc/36/84/67/1017368467.db2.gz KFYDDKSZLDKXNQ-UWVGGRQHSA-N -1 0 301.343 -0.356 20 0 DBADRM CNC(=O)N[C@@H]1CCCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001598653049 1017370821 /nfs/dbraw/zinc/37/08/21/1017370821.db2.gz MIEBDYLJLVWLOO-SECBINFHSA-N -1 0 309.326 -0.499 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1scc(C(=O)[O-])c1C ZINC001598654201 1017370889 /nfs/dbraw/zinc/37/08/89/1017370889.db2.gz HHUUWZPMFISKMX-ZCFIWIBFSA-N -1 0 313.335 -0.056 20 0 DBADRM CNC(=O)NC(=O)CN1C[C@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001598652731 1017371711 /nfs/dbraw/zinc/37/17/11/1017371711.db2.gz UPXVFSWXQQLNOC-SNVBAGLBSA-N -1 0 311.269 -0.067 20 0 DBADRM CNC(=O)[C@H](CCSC)NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598655663 1017371764 /nfs/dbraw/zinc/37/17/64/1017371764.db2.gz LZPDBNYIRLQYFA-QMMMGPOBSA-N -1 0 324.424 -0.362 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001598655688 1017372211 /nfs/dbraw/zinc/37/22/11/1017372211.db2.gz FMYSOZJWBKFZMO-LURJTMIESA-N -1 0 311.269 -0.287 20 0 DBADRM CCN(CCNCc1nc(=O)n(C)[nH]1)C(=O)c1cncn1C ZINC001497418443 1017372411 /nfs/dbraw/zinc/37/24/11/1017372411.db2.gz YWPOCDPWQPDYOP-UHFFFAOYSA-N -1 0 307.358 -0.906 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(C(=O)[O-])o1 ZINC001598655759 1017372317 /nfs/dbraw/zinc/37/23/17/1017372317.db2.gz MUDLVTRWLXSNEV-QMMMGPOBSA-N -1 0 306.278 -0.212 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)CCSCC(=O)[O-] ZINC001598653437 1017372497 /nfs/dbraw/zinc/37/24/97/1017372497.db2.gz NJXOAFBNUBXLPJ-SECBINFHSA-N -1 0 319.383 -0.649 20 0 DBADRM CNC(=O)[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C(C)C ZINC001598655576 1017372523 /nfs/dbraw/zinc/37/25/23/1017372523.db2.gz CURMIVASKXVRCL-KOLCDFICSA-N -1 0 313.354 -0.804 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])on2)CCO1 ZINC001598652495 1017372915 /nfs/dbraw/zinc/37/29/15/1017372915.db2.gz RULPYVBYPHUSRH-SSDOTTSWSA-N -1 0 312.282 -0.857 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])n1 ZINC001598659687 1017374901 /nfs/dbraw/zinc/37/49/01/1017374901.db2.gz ZJTZJDOFKDARRL-NSHDSACASA-N -1 0 317.305 -0.479 20 0 DBADRM CNC(=O)[C@H](CCSC)NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001598656298 1017375423 /nfs/dbraw/zinc/37/54/23/1017375423.db2.gz ZSAOOJCNWZUSOY-VIFPVBQESA-N -1 0 314.367 -0.435 20 0 DBADRM CNC(=O)c1cccc(CCC(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001598660107 1017375769 /nfs/dbraw/zinc/37/57/69/1017375769.db2.gz JWNVBWYTFPBBLS-LBPRGKRZSA-N -1 0 308.334 -0.069 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001598661712 1017375810 /nfs/dbraw/zinc/37/58/10/1017375810.db2.gz KQUHGLFBBBEODC-SSDOTTSWSA-N -1 0 322.325 -0.117 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001598656254 1017376038 /nfs/dbraw/zinc/37/60/38/1017376038.db2.gz VDMLOUVSMRKATR-YUMQZZPRSA-N -1 0 317.342 -0.395 20 0 DBADRM CNC(=O)c1ccc(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)cn1 ZINC001598656875 1017376088 /nfs/dbraw/zinc/37/60/88/1017376088.db2.gz WFGHGIPIAZOMMF-WDEREUQCSA-N -1 0 321.333 -0.092 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)c1 ZINC001598662032 1017376129 /nfs/dbraw/zinc/37/61/29/1017376129.db2.gz RRBJCIGHNFXQSQ-LOZYSUPSSA-N -1 0 319.317 -0.451 20 0 DBADRM CNS(=O)(=O)CC(=O)N(C)[C@H](COC1CCC1)C(=O)[O-] ZINC001598670073 1017379096 /nfs/dbraw/zinc/37/90/96/1017379096.db2.gz XQILVIGSQYBOHO-SECBINFHSA-N -1 0 308.356 -0.984 20 0 DBADRM CNS(=O)(=O)NCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001598670520 1017379312 /nfs/dbraw/zinc/37/93/12/1017379312.db2.gz DMVYUQZRJRQVCS-LPEHRKFASA-N -1 0 319.383 -0.858 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1[C@H](CCC(=O)[O-])C(=O)OC ZINC001598670492 1017379627 /nfs/dbraw/zinc/37/96/27/1017379627.db2.gz FWENCHXMVYWSGI-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598669843 1017379751 /nfs/dbraw/zinc/37/97/51/1017379751.db2.gz SHZJQJBJFUKVPQ-OPRDCNLKSA-N -1 0 319.383 -0.570 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H](CC(=O)[O-])c1ccncc1 ZINC001598670021 1017380150 /nfs/dbraw/zinc/38/01/50/1017380150.db2.gz WQBHWRXMNHZGDX-VIFPVBQESA-N -1 0 301.324 -0.737 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001598670704 1017380752 /nfs/dbraw/zinc/38/07/52/1017380752.db2.gz JBVBGMMVHQRDBB-UHFFFAOYSA-N -1 0 301.324 -0.314 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(c2cc(C(=O)[O-])ncn2)C1 ZINC001598670001 1017380934 /nfs/dbraw/zinc/38/09/34/1017380934.db2.gz VSCMEDGBVRPWGL-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001598669925 1017381103 /nfs/dbraw/zinc/38/11/03/1017381103.db2.gz SYJXLNZOFUKSDQ-UHEGKEBESA-N -1 0 316.379 -0.219 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001598672304 1017381897 /nfs/dbraw/zinc/38/18/97/1017381897.db2.gz XVQKBSSDZUVAJB-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM CNS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001598672164 1017382106 /nfs/dbraw/zinc/38/21/06/1017382106.db2.gz SOIJKOAHJBZJPD-UHFFFAOYSA-N -1 0 317.323 -0.800 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)c1cc(C(=O)[O-])ccn1 ZINC001598672028 1017382333 /nfs/dbraw/zinc/38/23/33/1017382333.db2.gz LIJARPUBMDXGNJ-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM CNS(=O)(=O)NC[C@H](Cc1ccccc1OC)C(=O)[O-] ZINC001598671893 1017382463 /nfs/dbraw/zinc/38/24/63/1017382463.db2.gz VQHLLQPENBBIRU-JTQLQIEISA-N -1 0 302.352 -0.008 20 0 DBADRM CNS(=O)(=O)NCC(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001598671848 1017382532 /nfs/dbraw/zinc/38/25/32/1017382532.db2.gz UDFTYKWSBFNJJO-UHFFFAOYSA-N -1 0 313.335 -0.672 20 0 DBADRM CNS(=O)(=O)NC1CCN(Cc2cc(C(=O)[O-])no2)CC1 ZINC001598671399 1017382676 /nfs/dbraw/zinc/38/26/76/1017382676.db2.gz PTJOWCAFDMRJJR-UHFFFAOYSA-N -1 0 318.355 -0.609 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001598670807 1017382836 /nfs/dbraw/zinc/38/28/36/1017382836.db2.gz JDSVKBSLFHDALW-SECBINFHSA-N -1 0 305.356 -0.602 20 0 DBADRM CNS(=O)(=O)NC1CCN(C(=O)CCCC(=O)[O-])CC1 ZINC001598671902 1017382990 /nfs/dbraw/zinc/38/29/90/1017382990.db2.gz VYTSMAFKRCRZMO-UHFFFAOYSA-N -1 0 307.372 -0.714 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)c1cc(C(=O)[O-])oc1C ZINC001598671773 1017383722 /nfs/dbraw/zinc/38/37/22/1017383722.db2.gz JKZXCVRVBHZGQF-UHFFFAOYSA-N -1 0 304.324 -0.045 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)O[C@@H](COC)C(=O)[O-])c1 ZINC001598676287 1017384757 /nfs/dbraw/zinc/38/47/57/1017384757.db2.gz DFZZKEDLQRNEEH-JTQLQIEISA-N -1 0 317.319 -0.149 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)OCCCC(=O)C(=O)[O-])o1 ZINC001598672891 1017385657 /nfs/dbraw/zinc/38/56/57/1017385657.db2.gz KNSIDJUQGKICKX-UHFFFAOYSA-N -1 0 319.291 -0.222 20 0 DBADRM CNS(=O)(=O)CCNC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001598672597 1017386023 /nfs/dbraw/zinc/38/60/23/1017386023.db2.gz VQLXRQFDHXNNEJ-HYXAFXHYSA-N -1 0 302.308 -0.344 20 0 DBADRM CNc1nc(C)cc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])n1 ZINC001598680876 1017386169 /nfs/dbraw/zinc/38/61/69/1017386169.db2.gz CTYBKTYQBRUKAV-VIFPVBQESA-N -1 0 310.310 -0.227 20 0 DBADRM COC(=O)C(C)(C)NC(=O)/C(C)=C\C(=O)NC(C)(C)C(=O)[O-] ZINC001598685489 1017387364 /nfs/dbraw/zinc/38/73/64/1017387364.db2.gz BOHHLEPQZKEUCW-FPLPWBNLSA-N -1 0 314.338 -0.020 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001598684541 1017387405 /nfs/dbraw/zinc/38/74/05/1017387405.db2.gz NDUXJAGPIAZHKT-BDAKNGLRSA-N -1 0 323.367 -0.311 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001598688879 1017387989 /nfs/dbraw/zinc/38/79/89/1017387989.db2.gz UEHYTWPWSFBZLB-HLTSFMKQSA-N -1 0 309.340 -0.965 20 0 DBADRM COC(=O)[C@](C)(CO)NCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001598686939 1017388271 /nfs/dbraw/zinc/38/82/71/1017388271.db2.gz JSCHDZIHIJCSNI-ZDUSSCGKSA-N -1 0 316.354 -0.596 20 0 DBADRM COC(=O)C(C)(C)C(=O)COC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001598684926 1017388964 /nfs/dbraw/zinc/38/89/64/1017388964.db2.gz RAJIHSNTAYXDGM-UHFFFAOYSA-N -1 0 312.278 -0.107 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001598689480 1017389208 /nfs/dbraw/zinc/38/92/08/1017389208.db2.gz YTIIFAQBKVXZGO-DJLDLDEBSA-N -1 0 309.340 -0.795 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccnc(-n2cncn2)c1 ZINC001598692392 1017389815 /nfs/dbraw/zinc/38/98/15/1017389815.db2.gz JYTLMZDELUXFDA-SECBINFHSA-N -1 0 319.277 -0.592 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC[C@H](C)C1 ZINC001598694579 1017389944 /nfs/dbraw/zinc/38/99/44/1017389944.db2.gz KQVWUFISDMXWCW-IUCAKERBSA-N -1 0 308.356 -0.431 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CN1CCCCCC1=O ZINC001598692268 1017390011 /nfs/dbraw/zinc/39/00/11/1017390011.db2.gz DBTGDVHJVOEDHS-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cnc2c(c1)nnn2C ZINC001598693697 1017390099 /nfs/dbraw/zinc/39/00/99/1017390099.db2.gz FVBKXJCRNDQLLF-MRVPVSSYSA-N -1 0 307.266 -0.891 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc(C(N)=O)cs1 ZINC001598692166 1017390136 /nfs/dbraw/zinc/39/01/36/1017390136.db2.gz CRFNRGWLKGXVEU-ZCFIWIBFSA-N -1 0 300.292 -0.407 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001598693824 1017390642 /nfs/dbraw/zinc/39/06/42/1017390642.db2.gz VHFNUXVFRAZMMW-SECBINFHSA-N -1 0 322.273 -0.236 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC001598694580 1017390749 /nfs/dbraw/zinc/39/07/49/1017390749.db2.gz KQVWUFISDMXWCW-RKDXNWHRSA-N -1 0 308.356 -0.431 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001598693828 1017391468 /nfs/dbraw/zinc/39/14/68/1017391468.db2.gz VHFNUXVFRAZMMW-VIFPVBQESA-N -1 0 322.273 -0.236 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cncc(-n2ccnn2)c1 ZINC001598694219 1017391509 /nfs/dbraw/zinc/39/15/09/1017391509.db2.gz JKOIUIKHIIYIOX-JTQLQIEISA-N -1 0 319.277 -0.592 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(N)cc1F ZINC001598694571 1017391639 /nfs/dbraw/zinc/39/16/39/1017391639.db2.gz KMFJSSHUVMTMHR-QMMMGPOBSA-N -1 0 320.298 -0.298 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CCC(C(=O)NCCO)CC1 ZINC001598696458 1017392993 /nfs/dbraw/zinc/39/29/93/1017392993.db2.gz JGRXBIKWLPEZQE-NSHDSACASA-N -1 0 316.354 -0.787 20 0 DBADRM COC(=O)[C@H](C[C@H]1CCCO1)NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001598697410 1017393241 /nfs/dbraw/zinc/39/32/41/1017393241.db2.gz OBAXEOFGLRPDAI-BBBLOLIVSA-N -1 0 323.367 -0.263 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001598697225 1017393923 /nfs/dbraw/zinc/39/39/23/1017393923.db2.gz FKMQSGIWJZDORY-MXWKQRLJSA-N -1 0 319.379 -0.241 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1CCN(C(C)(C)C(N)=O)CC1 ZINC001598700649 1017394999 /nfs/dbraw/zinc/39/49/99/1017394999.db2.gz ZLXPCLSQRULQRI-SNVBAGLBSA-N -1 0 315.370 -0.726 20 0 DBADRM COC(=O)[C@@]1(C(=O)N[C@@H](CO)C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598716765 1017395065 /nfs/dbraw/zinc/39/50/65/1017395065.db2.gz SVUPXBSOUZRZPC-ZETOZRRWSA-N -1 0 307.302 -0.105 20 0 DBADRM COC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc(C(=O)[O-])no1 ZINC001598701524 1017395110 /nfs/dbraw/zinc/39/51/10/1017395110.db2.gz HDEXIEQCOIMYHP-QMMMGPOBSA-N -1 0 308.250 -0.459 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])c1ccnn1C ZINC001598709840 1017396087 /nfs/dbraw/zinc/39/60/87/1017396087.db2.gz QIVURANZCDTUMX-APPZFPTMSA-N -1 0 319.339 -0.726 20 0 DBADRM COC(=O)[C@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)C(C)C ZINC001598703993 1017396157 /nfs/dbraw/zinc/39/61/57/1017396157.db2.gz YSQIBEKIHWWXAU-LLVKDONJSA-N -1 0 310.306 -0.140 20 0 DBADRM COC(=O)[C@H](NC(=O)c1cc(C(=O)[O-])on1)c1ccnn1C ZINC001598706710 1017396579 /nfs/dbraw/zinc/39/65/79/1017396579.db2.gz YBGBCZRMHVCTTG-SECBINFHSA-N -1 0 308.250 -0.250 20 0 DBADRM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CC[C@](O)(C(N)=O)C1 ZINC001598713756 1017397113 /nfs/dbraw/zinc/39/71/13/1017397113.db2.gz RESLSKZNGQUTJI-XHDPSFHLSA-N -1 0 322.317 -0.479 20 0 DBADRM COC(=O)[C@]1(F)CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001598721029 1017397922 /nfs/dbraw/zinc/39/79/22/1017397922.db2.gz LGCZFIFXCOMZCR-JTQLQIEISA-N -1 0 321.286 -0.616 20 0 DBADRM COC(=O)C1(O)CN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001598723865 1017398140 /nfs/dbraw/zinc/39/81/40/1017398140.db2.gz DMLBHLYHBPPWJH-IUCAKERBSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])CC1 ZINC001598720076 1017398600 /nfs/dbraw/zinc/39/86/00/1017398600.db2.gz PKFQXXNDANHXFN-DTWKUNHWSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)[C@@]1(O)CCN(S(=O)(=O)CCCCCC(=O)[O-])C1 ZINC001598725114 1017399006 /nfs/dbraw/zinc/39/90/06/1017399006.db2.gz VERMPKLUKRJUDB-GFCCVEGCSA-N -1 0 323.367 -0.429 20 0 DBADRM COC(=O)C1(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC(CO)C1 ZINC001598723900 1017399065 /nfs/dbraw/zinc/39/90/65/1017399065.db2.gz NNJSMYICAPVUFL-PYYZTYOOSA-N -1 0 301.295 -0.951 20 0 DBADRM COC(=O)[C@@]1(O)CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001598723696 1017399163 /nfs/dbraw/zinc/39/91/63/1017399163.db2.gz ASAZPGNABHRUMP-CQSZACIVSA-N -1 0 323.305 -0.672 20 0 DBADRM COC(=O)C1(O)CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC001598725089 1017399585 /nfs/dbraw/zinc/39/95/85/1017399585.db2.gz ULYYLWFRZXKWPM-BDAKNGLRSA-N -1 0 301.295 -0.855 20 0 DBADRM COC(=O)C1(C)CN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1 ZINC001598718715 1017399644 /nfs/dbraw/zinc/39/96/44/1017399644.db2.gz VNZHZBRVYWXMKZ-VIFPVBQESA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)[C@@]1(F)CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001598721297 1017399819 /nfs/dbraw/zinc/39/98/19/1017399819.db2.gz TYUCEMHEZZHSKC-NOZJJQNGSA-N -1 0 302.302 -0.351 20 0 DBADRM COC(=O)C1=NO[C@@]2(CCN(C(=O)COCC(=O)[O-])C2)C1 ZINC001598728701 1017401017 /nfs/dbraw/zinc/40/10/17/1017401017.db2.gz KKOGQLPTXOUUNU-LBPRGKRZSA-N -1 0 300.267 -0.992 20 0 DBADRM COC(=O)C1=NOC2(C1)CCN(C(=O)COCC(=O)[O-])CC2 ZINC001598728485 1017401148 /nfs/dbraw/zinc/40/11/48/1017401148.db2.gz IHUAITJIUZKTLZ-UHFFFAOYSA-N -1 0 314.294 -0.602 20 0 DBADRM COC(=O)[C@]1(CNS(=O)(=O)CC2(C(=O)[O-])CC2)CCOC1 ZINC001598726416 1017401638 /nfs/dbraw/zinc/40/16/38/1017401638.db2.gz FLQBGTGYARVTDK-LBPRGKRZSA-N -1 0 321.351 -0.650 20 0 DBADRM COC(=O)C1(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)CCC1 ZINC001598726491 1017401877 /nfs/dbraw/zinc/40/18/77/1017401877.db2.gz VVGSQLXDCSNSEY-JTQLQIEISA-N -1 0 323.392 -0.038 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)CCC1 ZINC001598726402 1017401912 /nfs/dbraw/zinc/40/19/12/1017401912.db2.gz SLAQBSDDFOXSLU-SECBINFHSA-N -1 0 321.351 -0.413 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)Nc2cc(C(=O)[O-])nn2C)C1 ZINC001598725141 1017402150 /nfs/dbraw/zinc/40/21/50/1017402150.db2.gz VTGIOXHORLDJRS-GFCCVEGCSA-N -1 0 312.282 -0.740 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CCC1 ZINC001598726412 1017402265 /nfs/dbraw/zinc/40/22/65/1017402265.db2.gz SUUJDHQOHZNQCK-BDAKNGLRSA-N -1 0 321.351 -0.414 20 0 DBADRM COC(=O)[C@@H]1CC(=O)N(CN2C[C@@H](C)O[C@@H](C(=O)[O-])C2)C1 ZINC001598743175 1017403591 /nfs/dbraw/zinc/40/35/91/1017403591.db2.gz LTJHKRGKSAKXLQ-OPRDCNLKSA-N -1 0 300.311 -0.861 20 0 DBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001598745043 1017403598 /nfs/dbraw/zinc/40/35/98/1017403598.db2.gz RFFUPHCBGZAZNR-CIUDSAMLSA-N -1 0 309.340 -0.965 20 0 DBADRM COC(=O)[C@@H]1CC(=O)N(CN2CCSC[C@H]2CC(=O)[O-])C1 ZINC001598740795 1017403907 /nfs/dbraw/zinc/40/39/07/1017403907.db2.gz GLXUQBGQXKIGER-NXEZZACHSA-N -1 0 316.379 -0.143 20 0 DBADRM COC(=O)[C@H]1CC(=O)N(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001598743179 1017404046 /nfs/dbraw/zinc/40/40/46/1017404046.db2.gz LTJHKRGKSAKXLQ-UTLUCORTSA-N -1 0 300.311 -0.861 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cncc(OC)n1 ZINC001598748421 1017404832 /nfs/dbraw/zinc/40/48/32/1017404832.db2.gz AQJKCTOMBVQHRR-PSASIEDQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cc1nnc(C)o1 ZINC001598745351 1017404882 /nfs/dbraw/zinc/40/48/82/1017404882.db2.gz LPGMCPWMFNRFDJ-BDAKNGLRSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@H]1CC(=O)N(CN2CCOC[C@H]2CC(=O)[O-])C1 ZINC001598745170 1017405352 /nfs/dbraw/zinc/40/53/52/1017405352.db2.gz RRPWJAWKFPMTDR-VHSXEESVSA-N -1 0 300.311 -0.859 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@@]1(F)CCOC1 ZINC001598747846 1017405396 /nfs/dbraw/zinc/40/53/96/1017405396.db2.gz BVYUVOJYMNZMDL-MWODSPESSA-N -1 0 303.286 -0.020 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1CCCS(C)(=O)=O ZINC001598749248 1017405614 /nfs/dbraw/zinc/40/56/14/1017405614.db2.gz FZCBVIATEIWJTJ-VHSXEESVSA-N -1 0 307.368 -0.241 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(OC)ncn1 ZINC001598751065 1017405871 /nfs/dbraw/zinc/40/58/71/1017405871.db2.gz LNLPWNYZUUERRS-PSASIEDQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1CCOC(=O)N1 ZINC001598760711 1017406921 /nfs/dbraw/zinc/40/69/21/1017406921.db2.gz AXLSOOPUGAYUST-CIUDSAMLSA-N -1 0 314.294 -0.650 20 0 DBADRM COC(=O)C1CCC(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])CC1 ZINC001598786742 1017416700 /nfs/dbraw/zinc/41/67/00/1017416700.db2.gz DACSHVAAMCXKLQ-SHVIVCPWSA-N -1 0 323.367 -0.527 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C(=O)NCC(F)F ZINC001598761129 1017408028 /nfs/dbraw/zinc/40/80/28/1017408028.db2.gz UDCMYCHRWFTNEL-RNFRBKRXSA-N -1 0 322.264 -0.768 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H](C)S(C)(=O)=O ZINC001598762059 1017408118 /nfs/dbraw/zinc/40/81/18/1017408118.db2.gz HCFAHPMWFARFBB-VGMNWLOBSA-N -1 0 321.351 -0.716 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CN(C)C(=O)OC ZINC001598764488 1017409478 /nfs/dbraw/zinc/40/94/78/1017409478.db2.gz BCGWPLWXSHRIHR-IUCAKERBSA-N -1 0 316.310 -0.451 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1nonc1C ZINC001598764916 1017410273 /nfs/dbraw/zinc/41/02/73/1017410273.db2.gz FVKMIBYXIFEYIV-WCBMZHEXSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C[C@@H](O)C1(O)CCC1 ZINC001598768225 1017410374 /nfs/dbraw/zinc/41/03/74/1017410374.db2.gz LFKTXFPBYBPAQU-OUAUKWLOSA-N -1 0 301.339 -0.400 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001598765171 1017410561 /nfs/dbraw/zinc/41/05/61/1017410561.db2.gz HQICWJWUFUBKGJ-QEYWKRMJSA-N -1 0 313.306 -0.340 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001598769811 1017411533 /nfs/dbraw/zinc/41/15/33/1017411533.db2.gz DYZUSCSFZJBLFR-XCBNKYQSSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)Nc1ccon1 ZINC001598772408 1017411723 /nfs/dbraw/zinc/41/17/23/1017411723.db2.gz UGXVQEOSJSERMB-DTWKUNHWSA-N -1 0 311.294 -0.049 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1ccn(C)n1 ZINC001598771083 1017411771 /nfs/dbraw/zinc/41/17/71/1017411771.db2.gz YGHKMPIDQMLKGC-GXSJLCMTSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc[n+]1[O-] ZINC001598770539 1017412149 /nfs/dbraw/zinc/41/21/49/1017412149.db2.gz QPTZHLFEGZRLQU-GXSJLCMTSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(=O)cc[nH]1 ZINC001598773152 1017412156 /nfs/dbraw/zinc/41/21/56/1017412156.db2.gz YUPVMFYPWSHIKE-KCJUWKMLSA-N -1 0 308.290 -0.147 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cn1nccc1N ZINC001598769876 1017412175 /nfs/dbraw/zinc/41/21/75/1017412175.db2.gz UVFNVRJHKMICTL-IUCAKERBSA-N -1 0 310.310 -0.670 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)Nc1ccncc1 ZINC001598771432 1017412829 /nfs/dbraw/zinc/41/28/29/1017412829.db2.gz RYCYIKZTNZPCBG-ZYHUDNBSSA-N -1 0 321.333 -0.220 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccn(C)c(=O)c2)C1 ZINC001598776665 1017413782 /nfs/dbraw/zinc/41/37/82/1017413782.db2.gz IZGXOSZQPGIZCT-WDEREUQCSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cncc(OC)n1 ZINC001598774325 1017413907 /nfs/dbraw/zinc/41/39/07/1017413907.db2.gz ZBVYMPFXIZZBOL-WCBMZHEXSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@@H](O)CC(=O)[O-] ZINC001598787451 1017416129 /nfs/dbraw/zinc/41/61/29/1017416129.db2.gz JVTBWSXAMIIBEH-AEJSXWLSSA-N -1 0 323.367 -0.527 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cnn(C)c2N)C1 ZINC001598780878 1017416218 /nfs/dbraw/zinc/41/62/18/1017416218.db2.gz SPSVSINCQVBPBX-APPZFPTMSA-N -1 0 310.310 -0.519 20 0 DBADRM COC(=O)C1CCC(NC(=O)[C@H](C)CC(N)=O)(C(=O)[O-])CC1 ZINC001598785805 1017416775 /nfs/dbraw/zinc/41/67/75/1017416775.db2.gz UDPDIHVPJHEZEO-NQTXRORDSA-N -1 0 314.338 -0.199 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2nnn(C)c2C)C1 ZINC001598779842 1017417124 /nfs/dbraw/zinc/41/71/24/1017417124.db2.gz QBNFNIQPNNFXQW-RKDXNWHRSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CN(C)C(=O)OC)C1 ZINC001598779216 1017417212 /nfs/dbraw/zinc/41/72/12/1017417212.db2.gz VZZDWUURDTURQB-IUCAKERBSA-N -1 0 316.310 -0.451 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2CCOC(=O)N2)C1 ZINC001598779911 1017417269 /nfs/dbraw/zinc/41/72/69/1017417269.db2.gz JALNQXRXVIJJQF-HLTSFMKQSA-N -1 0 314.294 -0.650 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001598782524 1017417401 /nfs/dbraw/zinc/41/74/01/1017417401.db2.gz QDNWSLJADNSPAX-IWSPIJDZSA-N -1 0 321.351 -0.716 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2ccn(C)n2)C1 ZINC001598779985 1017417409 /nfs/dbraw/zinc/41/74/09/1017417409.db2.gz XWZXNWGRGHVXEU-KOLCDFICSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@H](O)CC(=O)[O-] ZINC001598787453 1017417972 /nfs/dbraw/zinc/41/79/72/1017417972.db2.gz JVTBWSXAMIIBEH-BBBLOLIVSA-N -1 0 323.367 -0.527 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)OC)N(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598783251 1017417982 /nfs/dbraw/zinc/41/79/82/1017417982.db2.gz BOHIJIUTZGTPPE-RGOKHQFPSA-N -1 0 313.306 -0.340 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cncc(OC)n2)[C@@H](C(=O)[O-])C1 ZINC001598792015 1017418471 /nfs/dbraw/zinc/41/84/71/1017418471.db2.gz CHAJXEIXCDVSHK-PSASIEDQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H](O)CCSC)[C@H](C(=O)[O-])C1 ZINC001598788952 1017418698 /nfs/dbraw/zinc/41/86/98/1017418698.db2.gz INAOVLVKIDHFAM-UTLUCORTSA-N -1 0 319.379 -0.035 20 0 DBADRM COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@H](Cn2cncn2)C(=O)[O-])C1 ZINC001598791292 1017419109 /nfs/dbraw/zinc/41/91/09/1017419109.db2.gz OWLNYBPWZYCNBP-HBNTYKKESA-N -1 0 324.337 -0.173 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)OCC2(C(=O)[O-])CC2)C1=O ZINC001598788378 1017419467 /nfs/dbraw/zinc/41/94/67/1017419467.db2.gz FBVRLSMWGJNPAF-SECBINFHSA-N -1 0 313.306 -0.194 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[C@H]1C ZINC001598788339 1017420079 /nfs/dbraw/zinc/42/00/79/1017420079.db2.gz DRJXPWDYJCNFLI-QEYWKRMJSA-N -1 0 312.322 -0.624 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cnc(C)nc2N)[C@H](C(=O)[O-])C1 ZINC001598796051 1017422145 /nfs/dbraw/zinc/42/21/45/1017422145.db2.gz RDVBXRQMXKSZCW-WPRPVWTQSA-N -1 0 322.321 -0.154 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cn(C)ccc2=O)[C@H](C(=O)[O-])C1 ZINC001598795675 1017422203 /nfs/dbraw/zinc/42/22/03/1017422203.db2.gz PATICGUGJTYJMC-ONGXEEELSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cc(CO)on2)[C@H](C(=O)[O-])C1 ZINC001598795128 1017422338 /nfs/dbraw/zinc/42/23/38/1017422338.db2.gz DCCMWPVPPNOVCV-XCBNKYQSSA-N -1 0 312.278 -0.355 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@H](C(=O)[O-])C1 ZINC001598796131 1017422398 /nfs/dbraw/zinc/42/23/98/1017422398.db2.gz SCAPQYXCXDDNJJ-ONGXEEELSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001598801044 1017422549 /nfs/dbraw/zinc/42/25/49/1017422549.db2.gz XEWKJXLURWVAFU-QMMMGPOBSA-N -1 0 314.319 -0.037 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CO[C@H]2CCOC2)[C@@H](C(=O)[O-])C1 ZINC001598795439 1017422576 /nfs/dbraw/zinc/42/25/76/1017422576.db2.gz ZMARUGHNPWBWMB-OUAUKWLOSA-N -1 0 315.322 -0.343 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cccc[n+]2[O-])[C@@H](C(=O)[O-])C1 ZINC001598793884 1017422622 /nfs/dbraw/zinc/42/26/22/1017422622.db2.gz IQHHXTNRWQULPV-GXSJLCMTSA-N -1 0 308.290 -0.202 20 0 DBADRM C[C@@H](C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001497563734 1017422724 /nfs/dbraw/zinc/42/27/24/1017422724.db2.gz TWMXLHHISMXYIX-XADBCAIWSA-N -1 0 306.330 -0.875 20 0 DBADRM COC(=O)[C@@H]1CCN1S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001598803594 1017423879 /nfs/dbraw/zinc/42/38/79/1017423879.db2.gz NREIUINSKFLFRN-LURJTMIESA-N -1 0 303.296 -0.648 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCC[C@@H](C)OC)C[C@H]1C(=O)[O-] ZINC001598806853 1017424023 /nfs/dbraw/zinc/42/40/23/1017424023.db2.gz GEPMANAXRJEVOS-OPRDCNLKSA-N -1 0 302.327 -0.073 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N(C)CC(C)C)C[C@H]1C(=O)[O-] ZINC001598802987 1017424457 /nfs/dbraw/zinc/42/44/57/1017424457.db2.gz HYSCADFTYUTLSS-ZJUUUORDSA-N -1 0 314.338 -0.567 20 0 DBADRM COC(=O)C1CN(C(=O)/C(C)=C\C(=O)N2CC(C(=O)[O-])C2)C1 ZINC001598804370 1017424736 /nfs/dbraw/zinc/42/47/36/1017424736.db2.gz UTMCAURAOURKDD-BAQGIRSFSA-N -1 0 310.306 -0.893 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](C)c2cnccn2)C[C@H]1C(=O)[O-] ZINC001598807348 1017425975 /nfs/dbraw/zinc/42/59/75/1017425975.db2.gz MCILLSANKJMTNM-IVZWLZJFSA-N -1 0 307.306 -0.088 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2NCCc3occc32)C[C@H]1C(=O)[O-] ZINC001598807826 1017426388 /nfs/dbraw/zinc/42/63/88/1017426388.db2.gz NLHRJRDZGHMYLL-FOGDFJRCSA-N -1 0 322.317 -0.201 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCOC[C@H]2C)C[C@@H]1C(=O)[O-] ZINC001598809607 1017426586 /nfs/dbraw/zinc/42/65/86/1017426586.db2.gz QRPRXPASNHMQHK-LMLFDSFASA-N -1 0 314.338 -0.073 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)/C=C\Cn2cncn2)C[C@@H]1C(=O)[O-] ZINC001598810169 1017426589 /nfs/dbraw/zinc/42/65/89/1017426589.db2.gz VHAGCGZZLJAYHB-YLBDSCSXSA-N -1 0 308.294 -0.834 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCCn2cccn2)C[C@H]1C(=O)[O-] ZINC001598809757 1017427037 /nfs/dbraw/zinc/42/70/37/1017427037.db2.gz RDBSBRZXCHGYNJ-GHMZBOCLSA-N -1 0 324.337 -0.212 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCC2CSC2)C[C@@H]1C(=O)[O-] ZINC001598810127 1017427076 /nfs/dbraw/zinc/42/70/76/1017427076.db2.gz RYAGURIAORYTHQ-IUCAKERBSA-N -1 0 302.352 -0.135 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCn3ncnc32)C[C@H]1C(=O)[O-] ZINC001598807410 1017427100 /nfs/dbraw/zinc/42/71/00/1017427100.db2.gz MJFJWSOKZNDFMS-OPRDCNLKSA-N -1 0 322.321 -0.512 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C2(n3cccn3)CC2)C[C@@H]1C(=O)[O-] ZINC001598810693 1017427309 /nfs/dbraw/zinc/42/73/09/1017427309.db2.gz XCHQLLHLJRFRQS-UWVGGRQHSA-N -1 0 307.306 -0.296 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCC(C)(C)OC)C[C@@H]1C(=O)[O-] ZINC001598812254 1017428103 /nfs/dbraw/zinc/42/81/03/1017428103.db2.gz ZQDSLTIPQLTIRQ-IUCAKERBSA-N -1 0 302.327 -0.073 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)C1 ZINC001598812120 1017428161 /nfs/dbraw/zinc/42/81/61/1017428161.db2.gz CBYKJTYVHWMELZ-QCLAVDOMSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NOCC(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001598814028 1017429114 /nfs/dbraw/zinc/42/91/14/1017429114.db2.gz HIRIJHHREXQUAI-NTSWFWBYSA-N -1 0 314.216 -0.005 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCCOC2)C[C@H]1C(=O)[O-] ZINC001598811370 1017429470 /nfs/dbraw/zinc/42/94/70/1017429470.db2.gz WDRYTTAKSIHEBG-HBNTYKKESA-N -1 0 314.338 -0.072 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)COCC(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001598810819 1017429641 /nfs/dbraw/zinc/42/96/41/1017429641.db2.gz LTNJGGFWQNHBAO-NKWVEPMBSA-N -1 0 313.228 -0.103 20 0 DBADRM COC(=O)[C@@H]1CN(CN2C(=O)CC3(CCC3)C2=O)C[C@@H]1C(=O)[O-] ZINC001598818164 1017430753 /nfs/dbraw/zinc/43/07/53/1017430753.db2.gz ACUTWZCEFAYSEO-VHSXEESVSA-N -1 0 324.333 -0.321 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2conc2C)C[C@H]1C(=O)[O-] ZINC001598816811 1017430841 /nfs/dbraw/zinc/43/08/41/1017430841.db2.gz RXOOWUZRRSAELO-ZJUUUORDSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@@H]1C(=O)[O-] ZINC001598819406 1017431112 /nfs/dbraw/zinc/43/11/12/1017431112.db2.gz BTDFMAISZXJSCR-QWRGUYRKSA-N -1 0 320.301 -0.269 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001598815047 1017431204 /nfs/dbraw/zinc/43/12/04/1017431204.db2.gz OFBYLKVGRCNJKW-JLIMGVALSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1C(=O)[O-] ZINC001598819399 1017431420 /nfs/dbraw/zinc/43/14/20/1017431420.db2.gz BTDFMAISZXJSCR-GHMZBOCLSA-N -1 0 320.301 -0.269 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cc(F)c[nH]c2=O)C[C@H]1C(=O)[O-] ZINC001598815373 1017431673 /nfs/dbraw/zinc/43/16/73/1017431673.db2.gz HCROPFMTWTXXQB-RKDXNWHRSA-N -1 0 312.253 -0.128 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccncc2F)C[C@@H]1C(=O)[O-] ZINC001598815855 1017431788 /nfs/dbraw/zinc/43/17/88/1017431788.db2.gz PRTUHAQRPAHFEU-JGVFFNPUSA-N -1 0 311.269 -0.020 20 0 DBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1cc(C(=O)[O-])co1 ZINC001598818320 1017432087 /nfs/dbraw/zinc/43/20/87/1017432087.db2.gz JXXWKQOFBLCGKB-QMMMGPOBSA-N -1 0 310.262 -0.566 20 0 DBADRM COC(=O)[C@H]1CN(C)C(=O)CN1Cc1cncc(C(=O)[O-])c1 ZINC001598817716 1017432320 /nfs/dbraw/zinc/43/23/20/1017432320.db2.gz HWIAXOQEDGYDRY-LLVKDONJSA-N -1 0 307.306 -0.405 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1C(=O)[O-] ZINC001598820891 1017433527 /nfs/dbraw/zinc/43/35/27/1017433527.db2.gz IWBGCOPSTRRFNH-NXEZZACHSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@@H]1C(=O)[O-] ZINC001598822668 1017434392 /nfs/dbraw/zinc/43/43/92/1017434392.db2.gz RNTJCYHZLHYPOK-DTWKUNHWSA-N -1 0 307.306 -0.225 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cncc(C=O)c2)C[C@@H]1C(=O)[O-] ZINC001598822325 1017434555 /nfs/dbraw/zinc/43/45/55/1017434555.db2.gz PWEPNJHJGRMDPP-QWRGUYRKSA-N -1 0 306.274 -0.160 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)N(C)C(C)C)C[C@H]1C(=O)[O-] ZINC001598824580 1017436556 /nfs/dbraw/zinc/43/65/56/1017436556.db2.gz HPKBGLJELCAFHO-RKDXNWHRSA-N -1 0 308.356 -0.623 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)N2CCCCC2)C[C@@H]1C(=O)[O-] ZINC001598824208 1017436989 /nfs/dbraw/zinc/43/69/89/1017436989.db2.gz GGRYETUYWHCZBD-VHSXEESVSA-N -1 0 320.367 -0.477 20 0 DBADRM COC(=O)[C@H]1CN(Cc2nc(C3CC3)nn2C)C[C@H]1C(=O)[O-] ZINC001598824905 1017437313 /nfs/dbraw/zinc/43/73/13/1017437313.db2.gz IRNOJJZGGUKOHW-ZJUUUORDSA-N -1 0 308.338 -0.002 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@@H]1C(=O)[O-] ZINC001598823873 1017437742 /nfs/dbraw/zinc/43/77/42/1017437742.db2.gz XSKNLFOPIOWWDS-YUMQZZPRSA-N -1 0 310.262 -0.676 20 0 DBADRM COC(=O)[C@@H]1CN(Cc2nc(C3CC3)nn2C)C[C@@H]1C(=O)[O-] ZINC001598824903 1017438180 /nfs/dbraw/zinc/43/81/80/1017438180.db2.gz IRNOJJZGGUKOHW-VHSXEESVSA-N -1 0 308.338 -0.002 20 0 DBADRM COC(=O)C[C@H](C)C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001598835599 1017439063 /nfs/dbraw/zinc/43/90/63/1017439063.db2.gz IDMUCFODKHIYTA-XHNCKOQMSA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)CC(=O)N1CCN(C(=O)CC(=O)[O-])[C@@H](C)[C@H]1C ZINC001598831120 1017439409 /nfs/dbraw/zinc/43/94/09/1017439409.db2.gz HKLJTYOJKWCLLG-DTWKUNHWSA-N -1 0 300.311 -0.528 20 0 DBADRM COC(=O)CC(C)(C)CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001598830473 1017439536 /nfs/dbraw/zinc/43/95/36/1017439536.db2.gz BJPBDBMVFRCVOA-VIFPVBQESA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cscn2)C[C@@H]1C(=O)[O-] ZINC001598830091 1017439862 /nfs/dbraw/zinc/43/98/62/1017439862.db2.gz XBGLHIZTIBTRLJ-BQBZGAKWSA-N -1 0 320.348 -0.363 20 0 DBADRM COC(=O)CC(=O)N1CCN(C(=O)CC(=O)[O-])C[C@H](C)C1 ZINC001598832163 1017440131 /nfs/dbraw/zinc/44/01/31/1017440131.db2.gz QYGGQYJGATVWFY-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)[O-] ZINC001598836433 1017440290 /nfs/dbraw/zinc/44/02/90/1017440290.db2.gz CAHYTXMEFYSPTA-WDEREUQCSA-N -1 0 321.285 -0.099 20 0 DBADRM COC(=O)[C@@H]1COCCN1CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001598828593 1017440689 /nfs/dbraw/zinc/44/06/89/1017440689.db2.gz ROXCIERKWHINIL-MNOVXSKESA-N -1 0 316.354 -0.524 20 0 DBADRM COC(=O)[C@H]1CN(c2ccc3nc(C)nn3n2)C[C@@H]1C(=O)[O-] ZINC001598828746 1017440857 /nfs/dbraw/zinc/44/08/57/1017440857.db2.gz SCMIWPXZYFWMCY-IUCAKERBSA-N -1 0 305.294 -0.257 20 0 DBADRM COC(=O)C[C@H](CNS(=O)(=O)N(C)CCC(=O)[O-])C1CC1 ZINC001598837844 1017441541 /nfs/dbraw/zinc/44/15/41/1017441541.db2.gz OGORYBAJULEEIP-SNVBAGLBSA-N -1 0 322.383 -0.183 20 0 DBADRM COC(=O)C[C@@H](NC(=O)Cn1nnc2c1CCCC2)C(=O)[O-] ZINC001598841699 1017441638 /nfs/dbraw/zinc/44/16/38/1017441638.db2.gz QQQNTUGAALXVBG-SECBINFHSA-N -1 0 310.310 -0.711 20 0 DBADRM COC(=O)C[C@@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001598839826 1017441810 /nfs/dbraw/zinc/44/18/10/1017441810.db2.gz CHVQHRSSKVCVME-SSDOTTSWSA-N -1 0 321.307 -0.511 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cc(C(=O)[O-])ccn1)C(=O)OC ZINC001598841572 1017442568 /nfs/dbraw/zinc/44/25/68/1017442568.db2.gz PUNWGBVRDOYOQB-SECBINFHSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)CCc1ocnc1C(=O)[O-] ZINC001598841032 1017442575 /nfs/dbraw/zinc/44/25/75/1017442575.db2.gz WGACQVSRHYNBFZ-ZETCQYMHSA-N -1 0 300.267 -0.654 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccn(CC(F)F)n1)C(=O)[O-] ZINC001598840472 1017442689 /nfs/dbraw/zinc/44/26/89/1017442689.db2.gz MUDSQZLQZKWBSQ-SSDOTTSWSA-N -1 0 305.237 -0.106 20 0 DBADRM COC(=O)C[C@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001598842031 1017443950 /nfs/dbraw/zinc/44/39/50/1017443950.db2.gz WGSMREYGZAUTDP-ZETCQYMHSA-N -1 0 321.307 -0.511 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001598842492 1017443964 /nfs/dbraw/zinc/44/39/64/1017443964.db2.gz GEIGKHCLJILXQR-RKDXNWHRSA-N -1 0 305.352 -0.030 20 0 DBADRM COC(=O)C[C@]1(NS(=O)(=O)C[C@@H](C)C(=O)[O-])CCCOC1 ZINC001598843486 1017444381 /nfs/dbraw/zinc/44/43/81/1017444381.db2.gz AYVFVIYTTUQZFL-BXKDBHETSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)C[C@@H](O)CNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001598841989 1017444726 /nfs/dbraw/zinc/44/47/26/1017444726.db2.gz VYCOGHWXFYVEIF-SECBINFHSA-N -1 0 317.319 -0.413 20 0 DBADRM COC(=O)C[C@H]1CN(Cn2nc(C(=O)[O-])ccc2=O)CCO1 ZINC001598844937 1017445049 /nfs/dbraw/zinc/44/50/49/1017445049.db2.gz JAUKAOPIJWOBJF-VIFPVBQESA-N -1 0 311.294 -0.837 20 0 DBADRM COC(=O)C[C@@H]1CSCCN1CN1C[C@H](C(=O)[O-])CC1=O ZINC001598845018 1017445241 /nfs/dbraw/zinc/44/52/41/1017445241.db2.gz XYMWMSKIKBMHOB-NXEZZACHSA-N -1 0 316.379 -0.143 20 0 DBADRM COC(=O)C[C@@H]1CN(S(=O)(=O)C2(C(=O)[O-])CCC2)CCO1 ZINC001598845259 1017445323 /nfs/dbraw/zinc/44/53/23/1017445323.db2.gz NWZGIVCDKNZNSZ-SECBINFHSA-N -1 0 321.351 -0.413 20 0 DBADRM COC(=O)C[C@H]1COCCN1C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001598844292 1017445345 /nfs/dbraw/zinc/44/53/45/1017445345.db2.gz GYRDHZZKEHFGCX-VIFPVBQESA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC1CC(CC(=O)[O-])C1 ZINC001598852929 1017446566 /nfs/dbraw/zinc/44/65/66/1017446566.db2.gz OKJHIVWVDPXNCW-UHFFFAOYSA-N -1 0 308.356 -0.431 20 0 DBADRM COC(=O)CCSCCNC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001598853752 1017447770 /nfs/dbraw/zinc/44/77/70/1017447770.db2.gz NOXWDGMHHVLTDD-UHFFFAOYSA-N -1 0 315.351 -0.006 20 0 DBADRM COC(=O)CCCS(=O)(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001598852450 1017448580 /nfs/dbraw/zinc/44/85/80/1017448580.db2.gz QGPGLMALFPZLIG-LLVKDONJSA-N -1 0 309.340 -0.650 20 0 DBADRM COC(=O)CC[C@H](C(=O)[O-])N1CCO[C@H](CNC(C)=O)C1 ZINC001598847571 1017448663 /nfs/dbraw/zinc/44/86/63/1017448663.db2.gz KPFYFMUNLYFBDB-GHMZBOCLSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)CCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCCC(=O)[O-] ZINC001598854646 1017449834 /nfs/dbraw/zinc/44/98/34/1017449834.db2.gz MGXGCBOUSMYCRN-NXEZZACHSA-N -1 0 314.338 -0.327 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)C[C@@H]1CCCC(=O)N1)C(=O)[O-] ZINC001598856043 1017450332 /nfs/dbraw/zinc/45/03/32/1017450332.db2.gz HOYLHSMRFJASAL-DTWKUNHWSA-N -1 0 300.311 -0.432 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)COCc1ccnn1C)C(=O)[O-] ZINC001598855897 1017451505 /nfs/dbraw/zinc/45/15/05/1017451505.db2.gz FXDGTJWOKDOFSE-SNVBAGLBSA-N -1 0 313.310 -0.541 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CNC(=O)c1ccncc1)C(=O)[O-] ZINC001598856051 1017451556 /nfs/dbraw/zinc/45/15/56/1017451556.db2.gz IDZDNGCWMXUEPN-SNVBAGLBSA-N -1 0 323.305 -0.666 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CC(=O)NCC(F)(F)F ZINC001598860415 1017453056 /nfs/dbraw/zinc/45/30/56/1017453056.db2.gz KJLBTSNFKCVYPQ-UHFFFAOYSA-N -1 0 314.216 -0.859 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1ccc(C(N)=O)nc1)C(=O)[O-] ZINC001598857657 1017453263 /nfs/dbraw/zinc/45/32/63/1017453263.db2.gz GGKORPBBIWFZDA-SECBINFHSA-N -1 0 309.278 -0.683 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001598860590 1017453336 /nfs/dbraw/zinc/45/33/36/1017453336.db2.gz NTOFOJFUHCQVHT-VIFPVBQESA-N -1 0 321.351 -0.713 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)COCc1cc[nH]c(=O)c1 ZINC001598860106 1017453535 /nfs/dbraw/zinc/45/35/35/1017453535.db2.gz NSOKVJPMEVMSDG-UHFFFAOYSA-N -1 0 312.278 -0.610 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)/C=C\[C@H]1COC(C)(C)O1 ZINC001598860911 1017453549 /nfs/dbraw/zinc/45/35/49/1017453549.db2.gz VFSZVEZSWMHBRT-WBSSQXGSSA-N -1 0 301.295 -0.220 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1ccc(C(=O)OC)[nH]1)C(=O)[O-] ZINC001598857747 1017453907 /nfs/dbraw/zinc/45/39/07/1017453907.db2.gz LQBWECAPJPPQCX-MRVPVSSYSA-N -1 0 312.278 -0.063 20 0 DBADRM COC(=O)CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C1CCOCC1 ZINC001598858569 1017454089 /nfs/dbraw/zinc/45/40/89/1017454089.db2.gz MWEALQZPJQJUST-MNOVXSKESA-N -1 0 315.322 -0.201 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1C(=O)CCCCC(=O)[O-] ZINC001598864087 1017455194 /nfs/dbraw/zinc/45/51/94/1017455194.db2.gz ADSAYTMARRNNRD-SNVBAGLBSA-N -1 0 314.338 -0.088 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)C[C@H](OC)C(C)C ZINC001598862743 1017455709 /nfs/dbraw/zinc/45/57/09/1017455709.db2.gz NWVKRQXUDWTSAJ-VIFPVBQESA-N -1 0 311.356 -0.453 20 0 DBADRM COC(=O)CNS(=O)(=O)c1cc(OC)ccc1C(=O)[O-] ZINC001598864418 1017455983 /nfs/dbraw/zinc/45/59/83/1017455983.db2.gz IZINMAIOIYVFIB-UHFFFAOYSA-N -1 0 303.292 -0.155 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001598864291 1017456228 /nfs/dbraw/zinc/45/62/28/1017456228.db2.gz FJNSWPORQQBCIL-UHFFFAOYSA-N -1 0 312.253 -0.457 20 0 DBADRM COC(=O)CNC(=O)CN1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001598865313 1017457498 /nfs/dbraw/zinc/45/74/98/1017457498.db2.gz QBSVNKVQKFGXMD-AWEZNQCLSA-N -1 0 322.317 -0.204 20 0 DBADRM COC(=O)C[C@@H](OC(=O)C12CC(C(=O)[O-])(C1)C2)C(=O)OC ZINC001598867450 1017457512 /nfs/dbraw/zinc/45/75/12/1017457512.db2.gz BNQFLLMTCYIFGL-IASTZPEPSA-N -1 0 300.263 -0.111 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)CCc1ccccc1C(=O)[O-] ZINC001598865394 1017457811 /nfs/dbraw/zinc/45/78/11/1017457811.db2.gz RCHMAEIFWPEZRR-UHFFFAOYSA-N -1 0 322.317 -0.277 20 0 DBADRM COC(=O)COc1cccc(C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001598866910 1017458485 /nfs/dbraw/zinc/45/84/85/1017458485.db2.gz FOSJPKPKSQVTEA-CQSZACIVSA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)CSCCC(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001598867992 1017458626 /nfs/dbraw/zinc/45/86/26/1017458626.db2.gz HHJUCPFLJCUMJY-GFCCVEGCSA-N -1 0 305.352 -0.110 20 0 DBADRM COC(=O)COc1ccc(C(=O)NCC[C@H](O)C(=O)[O-])cc1 ZINC001598865015 1017458986 /nfs/dbraw/zinc/45/89/86/1017458986.db2.gz HPGUPKPNAWSZOF-NSHDSACASA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)COCCNC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001598865866 1017459007 /nfs/dbraw/zinc/45/90/07/1017459007.db2.gz NEWWUNRBYGELNF-JTQLQIEISA-N -1 0 302.327 -0.024 20 0 DBADRM COC(=O)CSCCC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001598869017 1017460215 /nfs/dbraw/zinc/46/02/15/1017460215.db2.gz XEMHZDMDISFYKO-BDAKNGLRSA-N -1 0 305.352 -0.017 20 0 DBADRM COC(=O)N(C)CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001598875957 1017460625 /nfs/dbraw/zinc/46/06/25/1017460625.db2.gz IPZGACLGWQCFTP-VIFPVBQESA-N -1 0 317.342 -0.584 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])cn1 ZINC001598875249 1017460635 /nfs/dbraw/zinc/46/06/35/1017460635.db2.gz ZFPWSSROPGDUCN-VXNVDRBHSA-N -1 0 317.323 -0.945 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)c2cnc(C(=O)[O-])cn2)n1 ZINC001598875002 1017460666 /nfs/dbraw/zinc/46/06/66/1017460666.db2.gz LXFBXUAXEQZOSM-UHFFFAOYSA-N -1 0 305.250 -0.203 20 0 DBADRM COC(=O)N1CC(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001598878263 1017460870 /nfs/dbraw/zinc/46/08/70/1017460870.db2.gz BSMMUDAAYTUKAP-VXNVDRBHSA-N -1 0 301.299 -0.774 20 0 DBADRM COC(=O)N(C)CC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001598876159 1017460938 /nfs/dbraw/zinc/46/09/38/1017460938.db2.gz MIEQBAQMQUCHMT-UHFFFAOYSA-N -1 0 316.310 -0.449 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])n1 ZINC001598874906 1017461021 /nfs/dbraw/zinc/46/10/21/1017461021.db2.gz GNVYDUWLYSDYBK-XCBNKYQSSA-N -1 0 312.282 -0.580 20 0 DBADRM COC(=O)N(C)CCN(C)[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001598876650 1017461170 /nfs/dbraw/zinc/46/11/70/1017461170.db2.gz HZNHXPHSFFIHHT-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)c1csc(=O)[nH]1 ZINC001497663676 1017461540 /nfs/dbraw/zinc/46/15/40/1017461540.db2.gz YWBXUGLXZLCCLJ-OWOJBTEDSA-N -1 0 310.339 -0.252 20 0 DBADRM COC(=O)Cn1cc(CNc2c(=O)[nH]ccc2C(=O)[O-])nn1 ZINC001598876007 1017461381 /nfs/dbraw/zinc/46/13/81/1017461381.db2.gz LYGKMFGOGKUXRS-UHFFFAOYSA-N -1 0 307.266 -0.138 20 0 DBADRM COC(=O)N(C)CCNS(=O)(=O)c1occc1C(=O)[O-] ZINC001598877630 1017461944 /nfs/dbraw/zinc/46/19/44/1017461944.db2.gz QQIIMFFXWUDAMT-UHFFFAOYSA-N -1 0 306.296 -0.046 20 0 DBADRM COC(=O)N1CC(NS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001598880117 1017462645 /nfs/dbraw/zinc/46/26/45/1017462645.db2.gz RTJIVFWMKBPDHG-UHFFFAOYSA-N -1 0 304.280 -0.293 20 0 DBADRM COC(=O)N1CCC(C(=O)N[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001598879397 1017463850 /nfs/dbraw/zinc/46/38/50/1017463850.db2.gz IXQYNQPDDQEESU-ZDUSSCGKSA-N -1 0 300.311 -0.175 20 0 DBADRM COC(=O)NCC(=O)O[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C(=O)OC)C1 ZINC001598883106 1017463868 /nfs/dbraw/zinc/46/38/68/1017463868.db2.gz KMSSQJPCVRMTMX-XHNCKOQMSA-N -1 0 317.294 -0.072 20 0 DBADRM COC(=O)NC1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC001598881882 1017463933 /nfs/dbraw/zinc/46/39/33/1017463933.db2.gz KXRXHSQQIZDERW-UHFFFAOYSA-N -1 0 310.310 -0.072 20 0 DBADRM COC(=O)NCC(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001598882837 1017463943 /nfs/dbraw/zinc/46/39/43/1017463943.db2.gz IANTZMOEWJOJDC-MRVPVSSYSA-N -1 0 323.309 -0.774 20 0 DBADRM COC(=O)NCC(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001598883086 1017464095 /nfs/dbraw/zinc/46/40/95/1017464095.db2.gz JRDOBUAISVYBNN-QMMMGPOBSA-N -1 0 302.283 -0.649 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001598891226 1017465131 /nfs/dbraw/zinc/46/51/31/1017465131.db2.gz DLOVGOOWYJBUSH-NGZCFLSTSA-N -1 0 303.311 -0.440 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)CCC(=O)N1CCOCC1 ZINC001598890074 1017465158 /nfs/dbraw/zinc/46/51/58/1017465158.db2.gz WSUBGYABQSZLJH-SECBINFHSA-N -1 0 317.294 -0.815 20 0 DBADRM COC(=O)[C@@H](C)N(C)C(=O)[C@@H](F)C(=O)N(C)[C@H](C)C(=O)[O-] ZINC001598889091 1017465501 /nfs/dbraw/zinc/46/55/01/1017465501.db2.gz QCXBLDUFHMSJLD-PRJMDXOYSA-N -1 0 306.290 -0.724 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C(=O)Nc1cc(C)on1 ZINC001598891258 1017465721 /nfs/dbraw/zinc/46/57/21/1017465721.db2.gz FDQLVZCDXMUCFC-SSDOTTSWSA-N -1 0 313.266 -0.556 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598884203 1017465988 /nfs/dbraw/zinc/46/59/88/1017465988.db2.gz OSAJRSFDHGRTAA-YUMQZZPRSA-N -1 0 311.298 -0.506 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCCC(=O)N1C ZINC001598891983 1017468063 /nfs/dbraw/zinc/46/80/63/1017468063.db2.gz YOWYEOKHNZYUNS-RKDXNWHRSA-N -1 0 300.311 -0.480 20 0 DBADRM COC(=O)[C@@H]1CC(F)(F)CN1C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001598893390 1017468124 /nfs/dbraw/zinc/46/81/24/1017468124.db2.gz HZIFJGOHHAULDR-QMMMGPOBSA-N -1 0 317.248 -0.010 20 0 DBADRM C[C@H](C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)[C@H]1CCC(=O)N1 ZINC001497683721 1017468278 /nfs/dbraw/zinc/46/82/78/1017468278.db2.gz RZSVZKZDFXADBO-MDCNRGEUSA-N -1 0 322.369 -0.813 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001598891325 1017468312 /nfs/dbraw/zinc/46/83/12/1017468312.db2.gz HOUXASIHSIWTPV-DTWKUNHWSA-N -1 0 315.326 -0.700 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C)nn1 ZINC001598892522 1017469056 /nfs/dbraw/zinc/46/90/56/1017469056.db2.gz AMTDEPNGEQFAMY-MRVPVSSYSA-N -1 0 317.323 -0.530 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001598895991 1017469323 /nfs/dbraw/zinc/46/93/23/1017469323.db2.gz SKTISXKHHFESKH-YIZRAAEISA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)[C@@H](NC(=O)C[NH2+][C@@H]1CCO[C@@H]1C(=O)[O-])C(C)C ZINC001598893971 1017469615 /nfs/dbraw/zinc/46/96/15/1017469615.db2.gz MLOFZMSWFKGNKR-MIMYLULJSA-N -1 0 302.327 -0.868 20 0 DBADRM COC(=O)[C@H](C)N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001598901327 1017472446 /nfs/dbraw/zinc/47/24/46/1017472446.db2.gz LAVFRMLPXDPVBB-QMMMGPOBSA-N -1 0 308.356 -0.479 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])O1 ZINC001598898404 1017470736 /nfs/dbraw/zinc/47/07/36/1017470736.db2.gz WKTUXTUDENZQQS-AEJSXWLSSA-N -1 0 311.294 -0.758 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNC(=O)Cn2cc(C(=O)[O-])nn2)C1(F)F ZINC001598901695 1017470927 /nfs/dbraw/zinc/47/09/27/1017470927.db2.gz JMOLMEWMKCPVKQ-XNCJUZBTSA-N -1 0 318.236 -0.853 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C[C@@H](C)O1 ZINC001598898165 1017471046 /nfs/dbraw/zinc/47/10/46/1017471046.db2.gz NFFNVNFYIDTUGL-IMSYWVGJSA-N -1 0 301.295 -0.593 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001598901109 1017471140 /nfs/dbraw/zinc/47/11/40/1017471140.db2.gz BABGLCJSDOZBCJ-IONNQARKSA-N -1 0 319.291 -0.413 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)CCCCCC(=O)[O-] ZINC001598901486 1017471302 /nfs/dbraw/zinc/47/13/02/1017471302.db2.gz KNKIDWNLWUAZGM-GXSJLCMTSA-N -1 0 323.367 -0.119 20 0 DBADRM COC(=O)[C@@H]1CO[C@H](CCC(=O)NC[C@@](C)(O)C(=O)[O-])C1 ZINC001598900656 1017471926 /nfs/dbraw/zinc/47/19/26/1017471926.db2.gz WDXNBJMANLIEMK-IGJMFERPSA-N -1 0 303.311 -0.704 20 0 DBADRM COC(=O)[C@H]1OCC[C@H]1NS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001598909013 1017474014 /nfs/dbraw/zinc/47/40/14/1017474014.db2.gz MDHVQDPDNRAMMW-SCZZXKLOSA-N -1 0 321.351 -0.509 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])O1 ZINC001598906961 1017474366 /nfs/dbraw/zinc/47/43/66/1017474366.db2.gz XOYVFMTWFJZZBA-GRYCIOLGSA-N -1 0 322.317 -0.086 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001598906645 1017474381 /nfs/dbraw/zinc/47/43/81/1017474381.db2.gz PLUQRKLTHWLTIV-IMSYWVGJSA-N -1 0 300.311 -0.179 20 0 DBADRM COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001598903703 1017474484 /nfs/dbraw/zinc/47/44/84/1017474484.db2.gz NUYXIJKHFMNKEP-AEJSXWLSSA-N -1 0 311.294 -0.758 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)NCCOCC(=O)[O-])C[C@H]1C ZINC001598906213 1017474641 /nfs/dbraw/zinc/47/46/41/1017474641.db2.gz LUZSIFQSRHPWAX-ZJUUUORDSA-N -1 0 302.327 -0.072 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)N[C@]2(CC(=O)[O-])CCCOC2)O1 ZINC001598906152 1017474899 /nfs/dbraw/zinc/47/48/99/1017474899.db2.gz OKBBQYKUUKMLAD-RBZYPMLTSA-N -1 0 315.322 -0.153 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001598903341 1017474946 /nfs/dbraw/zinc/47/49/46/1017474946.db2.gz DWOZNQMGUGUSKZ-QMMMGPOBSA-N -1 0 321.282 -0.664 20 0 DBADRM COC(=O)[C@@H]1C[C@H](NS(=O)(=O)CC2(C(=O)[O-])CC2)[C@H]2C[C@H]21 ZINC001598903348 1017475370 /nfs/dbraw/zinc/47/53/70/1017475370.db2.gz XYWWPMODBHTNSQ-RGOKHQFPSA-N -1 0 317.363 -0.032 20 0 DBADRM COC(=O)c1c[nH]c(C(=O)[O-])c1NC(=O)Cn1ncn(C)c1=O ZINC001598918636 1017477532 /nfs/dbraw/zinc/47/75/32/1017477532.db2.gz INXBFLHOLMLUFP-UHFFFAOYSA-N -1 0 323.265 -0.967 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC[C@H]1C(=O)[O-] ZINC001598911270 1017478072 /nfs/dbraw/zinc/47/80/72/1017478072.db2.gz CTHMJVAUZVQUSC-LURJTMIESA-N -1 0 303.296 -0.648 20 0 DBADRM COC(=O)c1cc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)n(C)n1 ZINC001598919808 1017478206 /nfs/dbraw/zinc/47/82/06/1017478206.db2.gz KQMLIZZGNSMPCZ-CYBMUJFWSA-N -1 0 311.294 -0.572 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c[nH]1 ZINC001598955684 1017480649 /nfs/dbraw/zinc/48/06/49/1017480649.db2.gz LUYXMEPAVXXBJN-KNVOCYPGSA-N -1 0 302.308 -0.057 20 0 DBADRM COC(=O)c1cc(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])cn1C ZINC001598932539 1017481317 /nfs/dbraw/zinc/48/13/17/1017481317.db2.gz KYPHHLMOLTXCOM-LLVKDONJSA-N -1 0 323.349 -0.023 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)on1 ZINC001598952744 1017481600 /nfs/dbraw/zinc/48/16/00/1017481600.db2.gz RBSULKDDRJHVTO-NKWVEPMBSA-N -1 0 318.307 -0.055 20 0 DBADRM COC(=O)c1ccc(C(=O)NCCC(=O)NCCC(=O)[O-])nc1 ZINC001598959556 1017481668 /nfs/dbraw/zinc/48/16/68/1017481668.db2.gz AZLYSNIGGRNYSN-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM COC(=O)c1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])nc1 ZINC001598974990 1017482455 /nfs/dbraw/zinc/48/24/55/1017482455.db2.gz XDKQSTQAPAJNRO-NSHDSACASA-N -1 0 307.306 -0.357 20 0 DBADRM COC(=O)c1cccc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1 ZINC001598991406 1017482519 /nfs/dbraw/zinc/48/25/19/1017482519.db2.gz KUUDLRCSBLNQNX-LLVKDONJSA-N -1 0 320.301 -0.159 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])n1C ZINC001598960132 1017482788 /nfs/dbraw/zinc/48/27/88/1017482788.db2.gz UDNNLYVRUPSOBW-VIFPVBQESA-N -1 0 320.305 -0.040 20 0 DBADRM COC(=O)c1ccc(CC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001598972533 1017483170 /nfs/dbraw/zinc/48/31/70/1017483170.db2.gz CYIIQSFAUZQYDV-DGCLKSJQSA-N -1 0 322.317 -0.153 20 0 DBADRM COC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC001598998988 1017483452 /nfs/dbraw/zinc/48/34/52/1017483452.db2.gz GMVQRSODAOGOIH-MRVPVSSYSA-N -1 0 321.289 -0.260 20 0 DBADRM COC(=O)c1ccc(CC(=O)Nc2ccnc(C(=O)[O-])n2)cn1 ZINC001598985893 1017483503 /nfs/dbraw/zinc/48/35/03/1017483503.db2.gz VMROUQVQFBQHLM-UHFFFAOYSA-N -1 0 316.273 -0.041 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN[C@@](C)(CO)C(=O)[O-])c1 ZINC001598997938 1017484025 /nfs/dbraw/zinc/48/40/25/1017484025.db2.gz QWPIPUYFHRCFEO-AWEZNQCLSA-N -1 0 310.306 -0.163 20 0 DBADRM COC(=O)c1cccc([C@H](C(=O)[O-])N2CC[C@@](O)(C(N)=O)C2)c1 ZINC001598997543 1017484209 /nfs/dbraw/zinc/48/42/09/1017484209.db2.gz UCDPTSYVCOTSDP-ABAIWWIYSA-N -1 0 322.317 -0.479 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN2CC[C@](O)(C(=O)[O-])C2)c1 ZINC001598998776 1017484287 /nfs/dbraw/zinc/48/42/87/1017484287.db2.gz CDEVZYXMYBXOAP-OAHLLOKOSA-N -1 0 322.317 -0.067 20 0 DBADRM COC(=O)c1cccn(CC(=O)N[C@H](C)/C=C/C(=O)[O-])c1=O ZINC001599002590 1017484469 /nfs/dbraw/zinc/48/44/69/1017484469.db2.gz RGVWWDVMWYFZHK-VUHVRTRXSA-N -1 0 308.290 -0.220 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN2CCO[C@H](C(=O)[O-])C2)n1 ZINC001599000201 1017484507 /nfs/dbraw/zinc/48/45/07/1017484507.db2.gz UBDJCQTZJPMVEV-JTQLQIEISA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)c1cccc([C@H](NCc2nnn(C)n2)C(=O)[O-])c1 ZINC001598994570 1017484717 /nfs/dbraw/zinc/48/47/17/1017484717.db2.gz HUHPDZYMNURLIP-NSHDSACASA-N -1 0 305.294 -0.088 20 0 DBADRM COC(=O)c1cccc([C@@H](NCc2nnn(C)n2)C(=O)[O-])c1 ZINC001598994569 1017484836 /nfs/dbraw/zinc/48/48/36/1017484836.db2.gz HUHPDZYMNURLIP-LLVKDONJSA-N -1 0 305.294 -0.088 20 0 DBADRM COC(CN(CCCO)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)OC ZINC001599048629 1017497381 /nfs/dbraw/zinc/49/73/81/1017497381.db2.gz VXSSSDHOMUTGCS-ZJUUUORDSA-N -1 0 305.327 -0.552 20 0 DBADRM COC(=O)c1cn(CC(=O)Nc2cccc(CC(=O)[O-])n2)nn1 ZINC001599008802 1017486114 /nfs/dbraw/zinc/48/61/14/1017486114.db2.gz XOEDXBBETXZPMP-UHFFFAOYSA-N -1 0 319.277 -0.275 20 0 DBADRM COC(=O)c1ccnc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001599006776 1017486260 /nfs/dbraw/zinc/48/62/60/1017486260.db2.gz XQJDYHJXPAJXML-UWVGGRQHSA-N -1 0 308.290 -0.224 20 0 DBADRM COC(=O)c1ccnc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)c1 ZINC001599005921 1017486549 /nfs/dbraw/zinc/48/65/49/1017486549.db2.gz JPNRTJPKHYINBV-VIFPVBQESA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)c1cn(CCNC(=O)c2cc(C(=O)[O-])co2)nn1 ZINC001599008849 1017486734 /nfs/dbraw/zinc/48/67/34/1017486734.db2.gz ZDGOHBCKTDGFHR-UHFFFAOYSA-N -1 0 308.250 -0.214 20 0 DBADRM COC(=O)c1cn(CCNC(=O)C23CC(C(=O)[O-])(C2)C3)nn1 ZINC001599008502 1017487352 /nfs/dbraw/zinc/48/73/52/1017487352.db2.gz MQNWVCZUWQXFFX-UHFFFAOYSA-N -1 0 308.294 -0.564 20 0 DBADRM Cn1cc(CCC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cn1 ZINC001497765630 1017488509 /nfs/dbraw/zinc/48/85/09/1017488509.db2.gz SHNLMRVZGRGDDZ-IHWYPQMZSA-N -1 0 319.369 -0.361 20 0 DBADRM CO[C@H](C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)[C@@H]1CCOC1 ZINC001599023843 1017489109 /nfs/dbraw/zinc/48/91/09/1017489109.db2.gz SFEYHMLNWIPDPU-PUYPPJJSSA-N -1 0 312.322 -0.130 20 0 DBADRM CO[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccnn1C)c1cnn(C)c1 ZINC001599024908 1017489365 /nfs/dbraw/zinc/48/93/65/1017489365.db2.gz DTSYMJAXSFMKFT-MNOVXSKESA-N -1 0 307.310 -0.217 20 0 DBADRM COC(=O)c1cnc(N(CCN2CCOCC2)CC(=O)[O-])nc1 ZINC001599010623 1017489762 /nfs/dbraw/zinc/48/97/62/1017489762.db2.gz ZMRDEOMZTHYJBS-UHFFFAOYSA-N -1 0 324.337 -0.514 20 0 DBADRM CO[C@H](C(=O)N[C@H](C(=O)[O-])c1ccnn1C)c1cnn(C)c1 ZINC001599024909 1017490075 /nfs/dbraw/zinc/49/00/75/1017490075.db2.gz DTSYMJAXSFMKFT-QWRGUYRKSA-N -1 0 307.310 -0.217 20 0 DBADRM COC(=O)c1ncoc1CCC(=O)NC[C@@H](O)CC(=O)[O-] ZINC001599016519 1017490154 /nfs/dbraw/zinc/49/01/54/1017490154.db2.gz AEABBLZYWMNFER-ZETCQYMHSA-N -1 0 300.267 -0.654 20 0 DBADRM COC(=O)c1cnn(CC(=O)N2CC[C@](OC)(C(=O)[O-])C2)c1 ZINC001599011116 1017490920 /nfs/dbraw/zinc/49/09/20/1017490920.db2.gz IKORVWOKCIUKEK-CYBMUJFWSA-N -1 0 311.294 -0.628 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@@H]1CC[C@@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC001599055873 1017498238 /nfs/dbraw/zinc/49/82/38/1017498238.db2.gz KAPPORCCGYKUQO-LMLFDSFASA-N -1 0 307.368 -0.180 20 0 DBADRM CO[C@](C)(CO)CNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001599034860 1017492029 /nfs/dbraw/zinc/49/20/29/1017492029.db2.gz NWBHBHCLOKSUSA-LBPRGKRZSA-N -1 0 316.335 -0.102 20 0 DBADRM COC(C)(C)CN(C)C(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001599033132 1017492293 /nfs/dbraw/zinc/49/22/93/1017492293.db2.gz VBKWWNROUSNBNG-AWEZNQCLSA-N -1 0 316.354 -0.428 20 0 DBADRM CO[C@](C)(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C(=O)OC(C)(C)C ZINC001599031588 1017492580 /nfs/dbraw/zinc/49/25/80/1017492580.db2.gz KCCMNKYREXZWDX-BFHDXFOESA-N -1 0 305.327 -0.317 20 0 DBADRM CO[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1cnn(C)c1 ZINC001599028864 1017492898 /nfs/dbraw/zinc/49/28/98/1017492898.db2.gz TUUSCHZRQCAYAF-OYNCUSHFSA-N -1 0 312.326 -0.798 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599033541 1017493114 /nfs/dbraw/zinc/49/31/14/1017493114.db2.gz APNBFCPMQMTAKE-SNVBAGLBSA-N -1 0 309.384 -0.101 20 0 DBADRM CO[C@@H](C(=O)NC[C@@H](O)CNc1ncc(C(=O)[O-])cn1)C1CC1 ZINC001599028013 1017493446 /nfs/dbraw/zinc/49/34/46/1017493446.db2.gz HRYDJBONVFKHKP-GHMZBOCLSA-N -1 0 324.337 -0.511 20 0 DBADRM CO[C@](C)(CO)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001599035096 1017493455 /nfs/dbraw/zinc/49/34/55/1017493455.db2.gz SKIOEMVODSUBBK-HNNXBMFYSA-N -1 0 324.333 -0.234 20 0 DBADRM CO[C@H](C)CC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001599038685 1017494861 /nfs/dbraw/zinc/49/48/61/1017494861.db2.gz SFYKWJQNUMQESB-OPRDCNLKSA-N -1 0 324.337 -0.735 20 0 DBADRM CO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001599036981 1017494915 /nfs/dbraw/zinc/49/49/15/1017494915.db2.gz YSQHRXWRXWFJIE-OTYXRUKQSA-N -1 0 324.337 -0.733 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)c1cnc(C)nc1N)OC ZINC001599046621 1017495122 /nfs/dbraw/zinc/49/51/22/1017495122.db2.gz NBAUWBMIWWWFMV-UHFFFAOYSA-N -1 0 312.326 -0.097 20 0 DBADRM CO[C@H](C)c1nsc(NC(=O)NCC(=O)NCC(=O)[O-])n1 ZINC001599041690 1017495239 /nfs/dbraw/zinc/49/52/39/1017495239.db2.gz AXKNAAVLDCTHKO-RXMQYKEDSA-N -1 0 317.327 -0.432 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001599036878 1017495391 /nfs/dbraw/zinc/49/53/91/1017495391.db2.gz YJAXHTLSMZCPIY-GUBZILKMSA-N -1 0 308.338 -0.062 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@@H]1OCCO[C@@H]1C)OC ZINC001599045661 1017495923 /nfs/dbraw/zinc/49/59/23/1017495923.db2.gz QXYJJAIOQKMOPU-BXKDBHETSA-N -1 0 305.327 -0.288 20 0 DBADRM CO[C@H](C)C(=O)NC[C@]1(O)CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001599036983 1017496054 /nfs/dbraw/zinc/49/60/54/1017496054.db2.gz YSQHRXWRXWFJIE-YMTOWFKASA-N -1 0 324.337 -0.733 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@@H]1CC[C@@H]1C(=O)[O-])[C@H]1CCOC1 ZINC001599055875 1017497118 /nfs/dbraw/zinc/49/71/18/1017497118.db2.gz KAPPORCCGYKUQO-MMWGEVLESA-N -1 0 307.368 -0.180 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(C)C ZINC001599055065 1017497289 /nfs/dbraw/zinc/49/72/89/1017497289.db2.gz APZLPJAOMWMQKF-GUBZILKMSA-N -1 0 324.399 -0.445 20 0 DBADRM CO[C@H](CNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001599050948 1017498168 /nfs/dbraw/zinc/49/81/68/1017498168.db2.gz DIEIQFJWXYSISH-KXNHARMFSA-N -1 0 316.354 -0.079 20 0 DBADRM CO[C@H](Cn1nnnc1N1CC[C@@](OC)(C(=O)[O-])C1)C1CC1 ZINC001599058185 1017499880 /nfs/dbraw/zinc/49/98/80/1017499880.db2.gz HALOROAIJOKSPR-MFKMUULPSA-N -1 0 311.342 -0.222 20 0 DBADRM COC1(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CS(=O)(=O)C1 ZINC001599063305 1017500452 /nfs/dbraw/zinc/50/04/52/1017500452.db2.gz GNFKWRSSOWPVRJ-BDAKNGLRSA-N -1 0 305.352 -0.440 20 0 DBADRM CO[C@H](CS(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)[C@H]1CCOC1 ZINC001599056997 1017500608 /nfs/dbraw/zinc/50/06/08/1017500608.db2.gz DZQWKBURVLRAIE-PREPNJAASA-N -1 0 319.379 -0.370 20 0 DBADRM CO[C@H](Cn1cnc2c(cnn2CC(=O)[O-])c1=O)[C@H]1CCOC1 ZINC001599059953 1017500764 /nfs/dbraw/zinc/50/07/64/1017500764.db2.gz OOIXUGHFNHGXHA-GXSJLCMTSA-N -1 0 322.321 -0.271 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@@H](CF)C(=O)[O-])C1CCOCC1 ZINC001599057829 1017501428 /nfs/dbraw/zinc/50/14/28/1017501428.db2.gz VMFMNJBEQFRVAI-VHSXEESVSA-N -1 0 313.347 -0.230 20 0 DBADRM CO[C@H](Cn1cnc2c(cnn2CC(=O)[O-])c1=O)[C@@H]1CCOC1 ZINC001599059958 1017501282 /nfs/dbraw/zinc/50/12/82/1017501282.db2.gz OOIXUGHFNHGXHA-MWLCHTKSSA-N -1 0 322.321 -0.271 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](CF)C2)C1 ZINC001599064923 1017502528 /nfs/dbraw/zinc/50/25/28/1017502528.db2.gz DCBHKFMGEXFGRM-NOZJJQNGSA-N -1 0 302.302 -0.494 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(C)[nH]c2=O)C1 ZINC001599066043 1017502600 /nfs/dbraw/zinc/50/26/00/1017502600.db2.gz ACGCRLRTVHLNJL-CQSZACIVSA-N -1 0 323.305 -0.264 20 0 DBADRM CO[C@]1(C(=O)NCC(C)(C)CC(=O)[O-])CCS(=O)(=O)C1 ZINC001599065347 1017502617 /nfs/dbraw/zinc/50/26/17/1017502617.db2.gz ZVKNIAYIPPUICV-GFCCVEGCSA-N -1 0 307.368 -0.193 20 0 DBADRM COC1(C(=O)N[C@H](C(=O)[O-])c2cccs2)CS(=O)(=O)C1 ZINC001599064975 1017502646 /nfs/dbraw/zinc/50/26/46/1017502646.db2.gz PXEOXZKBKIQPQO-QMMMGPOBSA-N -1 0 319.360 -0.196 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC2CC(F)(F)C2)C1 ZINC001599065403 1017502658 /nfs/dbraw/zinc/50/26/58/1017502658.db2.gz GMMVVLTZJVLMFO-NSHDSACASA-N -1 0 306.265 -0.398 20 0 DBADRM CO[C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)C1 ZINC001599066440 1017503259 /nfs/dbraw/zinc/50/32/59/1017503259.db2.gz DXYAFURKMDESPM-GPCCPHFNSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001599065831 1017503322 /nfs/dbraw/zinc/50/33/22/1017503322.db2.gz OPDBOZJPEBPDRV-KBVBSXBZSA-N -1 0 307.368 -0.242 20 0 DBADRM CO[C@@]1(C(=O)Nc2ccc(C(=O)[O-])nn2)CCS(=O)(=O)C1 ZINC001599063800 1017503338 /nfs/dbraw/zinc/50/33/38/1017503338.db2.gz YWIZEUZFPKVNCJ-NSHDSACASA-N -1 0 315.307 -0.683 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(C)[nH]c2=O)C1 ZINC001599066041 1017503567 /nfs/dbraw/zinc/50/35/67/1017503567.db2.gz ACGCRLRTVHLNJL-AWEZNQCLSA-N -1 0 323.305 -0.264 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](CF)C2)C1 ZINC001599064926 1017503621 /nfs/dbraw/zinc/50/36/21/1017503621.db2.gz DCBHKFMGEXFGRM-TVQRCGJNSA-N -1 0 302.302 -0.494 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC2(C3CC3)CC2)C1 ZINC001599067901 1017504787 /nfs/dbraw/zinc/50/47/87/1017504787.db2.gz VDYRPNNXBJUNCX-HNNXBMFYSA-N -1 0 310.350 -0.005 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)/C=C2\SCC(=O)N2C)C1 ZINC001599067784 1017505239 /nfs/dbraw/zinc/50/52/39/1017505239.db2.gz GKFIJYGTIUFHMH-DUWGPSABSA-N -1 0 300.336 -0.265 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)Cc2cnccn2)C1 ZINC001599068257 1017505701 /nfs/dbraw/zinc/50/57/01/1017505701.db2.gz LHXPPAZTHOETGV-CQSZACIVSA-N -1 0 322.321 -0.863 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCCOC[C@H]2C)C1 ZINC001599067653 1017506059 /nfs/dbraw/zinc/50/60/59/1017506059.db2.gz UFMDZSIVGXFAHO-YGRLFVJLSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCc2nnnn2C2CC2)C1 ZINC001599069924 1017507295 /nfs/dbraw/zinc/50/72/95/1017507295.db2.gz GKYOPXOACPVDOE-GFCCVEGCSA-N -1 0 310.314 -0.607 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001599073270 1017507663 /nfs/dbraw/zinc/50/76/63/1017507663.db2.gz FVRHNHHUWOCNSY-AWEZNQCLSA-N -1 0 320.305 -0.353 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NC2CCC(C(N)=O)CC2)C1 ZINC001599072183 1017507893 /nfs/dbraw/zinc/50/78/93/1017507893.db2.gz IMXFWWGIEROHRV-FDZGAKKTSA-N -1 0 313.354 -0.084 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2CCOCC(F)F)C1 ZINC001599081689 1017509660 /nfs/dbraw/zinc/50/96/60/1017509660.db2.gz UCNZBMSAGMJFGE-LLVKDONJSA-N -1 0 321.284 -0.365 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(Cc2nnc(S(C)(=O)=O)s2)C1 ZINC001599078313 1017509999 /nfs/dbraw/zinc/50/99/99/1017509999.db2.gz HBDNPPZGTJVOTQ-JTQLQIEISA-N -1 0 321.380 -0.383 20 0 DBADRM COC1(C(=O)O[C@H]2C=CC[C@@H](C(=O)[O-])C2)CS(=O)(=O)C1 ZINC001599081124 1017509882 /nfs/dbraw/zinc/50/98/82/1017509882.db2.gz KEKBYEIZECYUNL-BDAKNGLRSA-N -1 0 304.320 -0.237 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnc([C@]3(O)CCOC3)n2C)C1 ZINC001599076703 1017510074 /nfs/dbraw/zinc/51/00/74/1017510074.db2.gz DRZGTOYTITUZAK-QWHCGFSZSA-N -1 0 312.326 -0.897 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2C[C@H]2CCCCO2)C1 ZINC001599082414 1017511849 /nfs/dbraw/zinc/51/18/49/1017511849.db2.gz YPBINQQHMYHZAN-ZWNOBZJWSA-N -1 0 311.342 -0.078 20 0 DBADRM COC1(C)CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001599086127 1017511866 /nfs/dbraw/zinc/51/18/66/1017511866.db2.gz ZLEPTFOQMMOBMX-WDEREUQCSA-N -1 0 310.350 -0.197 20 0 DBADRM COC1CC(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001599093638 1017512101 /nfs/dbraw/zinc/51/21/01/1017512101.db2.gz HHKYGDFJLYEJNN-KOHJWAIASA-N -1 0 312.366 -0.201 20 0 DBADRM COC1(C(F)(F)F)CN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001599086619 1017512515 /nfs/dbraw/zinc/51/25/15/1017512515.db2.gz MCBNKTVRIFLDKI-UHFFFAOYSA-N -1 0 308.216 -0.234 20 0 DBADRM COC1(CNS(=O)(=O)CC2(C(=O)[O-])CC2)CCOCC1 ZINC001599090477 1017512784 /nfs/dbraw/zinc/51/27/84/1017512784.db2.gz AZZPHOJJAVKDOE-UHFFFAOYSA-N -1 0 307.368 -0.034 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCSC1 ZINC001599089342 1017512954 /nfs/dbraw/zinc/51/29/54/1017512954.db2.gz PTIRWDAKDXQDJL-RVBZMBCESA-N -1 0 316.379 -0.396 20 0 DBADRM CO[C@]1(CO)CCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1 ZINC001599091682 1017513603 /nfs/dbraw/zinc/51/36/03/1017513603.db2.gz HHVFIBRBYCCNNG-GXTWGEPZSA-N -1 0 302.371 -0.315 20 0 DBADRM CO[C@]1(COC(=O)Cn2cccc(C(=O)[O-])c2=O)CCOC1 ZINC001599092418 1017513718 /nfs/dbraw/zinc/51/37/18/1017513718.db2.gz QWZTYRJPZSMUQU-CQSZACIVSA-N -1 0 311.290 -0.105 20 0 DBADRM COC1(OC)CCOC[C@H]1NC(=O)c1cc(C(=O)[O-])on1 ZINC001599095679 1017514853 /nfs/dbraw/zinc/51/48/53/1017514853.db2.gz UAXXAADLVRPCEC-SECBINFHSA-N -1 0 300.267 -0.119 20 0 DBADRM COC1(OC)CCOC[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001599094234 1017514867 /nfs/dbraw/zinc/51/48/67/1017514867.db2.gz KQZGBASSXKIXPL-KXUCPTDWSA-N -1 0 303.311 -0.487 20 0 DBADRM CO[C@@H]1C[C@H](NC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1(C)C ZINC001599095257 1017515052 /nfs/dbraw/zinc/51/50/52/1017515052.db2.gz HAZHLEDXEBNXBK-DTWKUNHWSA-N -1 0 324.337 -0.014 20 0 DBADRM COC1(Cn2nnnc2N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CCC1 ZINC001599096875 1017515465 /nfs/dbraw/zinc/51/54/65/1017515465.db2.gz XHRVHCJEFIUNLD-ZJUUUORDSA-N -1 0 311.342 -0.080 20 0 DBADRM COC1CC(C(=O)NC[C@@H](CO)Nc2ncc(C(=O)[O-])cn2)C1 ZINC001599093881 1017515794 /nfs/dbraw/zinc/51/57/94/1017515794.db2.gz MTRYKFJTQVBCIE-JZQLECPJSA-N -1 0 324.337 -0.511 20 0 DBADRM CO[C@@H]1CC[C@H]2OCCN(C(=O)Cn3cc(C(=O)[O-])nn3)[C@@H]2C1 ZINC001599103122 1017516353 /nfs/dbraw/zinc/51/63/53/1017516353.db2.gz LBEOFPFJMRGONP-YUSALJHKSA-N -1 0 324.337 -0.229 20 0 DBADRM CO[C@@]1(Cn2nnnc2N2C[C@@H](C)[C@H](C(=O)[O-])C2)CCOC1 ZINC001599095090 1017516367 /nfs/dbraw/zinc/51/63/67/1017516367.db2.gz KQOAWXFUTDVTII-GIPNMCIBSA-N -1 0 311.342 -0.365 20 0 DBADRM COC1(OC)CC(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1 ZINC001599095921 1017516455 /nfs/dbraw/zinc/51/64/55/1017516455.db2.gz PWKXVJRIAUMLFY-SNVBAGLBSA-N -1 0 314.338 -0.423 20 0 DBADRM CO[C@@H]1CC[C@H]1N(C)C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599104079 1017516820 /nfs/dbraw/zinc/51/68/20/1017516820.db2.gz LOESQEHHYPOWBB-GMTAPVOTSA-N -1 0 314.338 -0.676 20 0 DBADRM CO[C@H]1CCN(C(=O)C2CCS(=O)(=O)CC2)[C@@H](C(=O)[O-])C1 ZINC001599119753 1017517346 /nfs/dbraw/zinc/51/73/46/1017517346.db2.gz NVXBLHJUSPYKQY-WDEREUQCSA-N -1 0 319.379 -0.098 20 0 DBADRM CO[C@H]1CCN(C(=O)CNC(=O)N2CCCC2)[C@@H](C(=O)[O-])C1 ZINC001599120199 1017518018 /nfs/dbraw/zinc/51/80/18/1017518018.db2.gz VLCBQBNNKYUXEU-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM CO[C@@H]1CCN(C(=O)CCn2cnccc2=O)[C@@H](C(=O)[O-])C1 ZINC001599120368 1017518520 /nfs/dbraw/zinc/51/85/20/1017518520.db2.gz VTGAGYBYEINZMU-GHMZBOCLSA-N -1 0 309.322 -0.276 20 0 DBADRM CO[C@@H]1CCN(C(=O)CC2C(=O)N=CNC2=O)[C@H](C(=O)[O-])C1 ZINC001599118308 1017518751 /nfs/dbraw/zinc/51/87/51/1017518751.db2.gz BVCWJASRLUSTAT-APPZFPTMSA-N -1 0 311.294 -0.479 20 0 DBADRM CO[C@@H]1CCN(C(=O)CCN2CCOCC2)[C@@H](C(=O)[O-])C1 ZINC001599120713 1017519050 /nfs/dbraw/zinc/51/90/50/1017519050.db2.gz XCFWAKMTIHNITC-VXGBXAGGSA-N -1 0 300.355 -0.201 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)nc2C1 ZINC001599128111 1017520003 /nfs/dbraw/zinc/52/00/03/1017520003.db2.gz QZNOYMGWRKQBQJ-KOLCDFICSA-N -1 0 309.322 -0.230 20 0 DBADRM CO[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H](C(=O)[O-])C1 ZINC001599123650 1017520021 /nfs/dbraw/zinc/52/00/21/1017520021.db2.gz UOSUCQTYFGZQTC-VXNVDRBHSA-N -1 0 311.294 -0.810 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H]2CCN=C3C2=NNN3C)[C@@](C)(C(=O)[O-])C1 ZINC001599132443 1017520169 /nfs/dbraw/zinc/52/01/69/1017520169.db2.gz XVPSDBKNASMXDM-UINNMSKDSA-N -1 0 323.353 -0.699 20 0 DBADRM CO[C@@H]1CCN(CC(=O)N(C)Cc2cnn(C)c2)[C@@H](C(=O)[O-])C1 ZINC001599124606 1017520549 /nfs/dbraw/zinc/52/05/49/1017520549.db2.gz WUJIXBGQVZSVPX-CHWSQXEVSA-N -1 0 324.381 -0.058 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)N3CCN(CC(=O)[O-])CC3)nc2C1 ZINC001599126749 1017520692 /nfs/dbraw/zinc/52/06/92/1017520692.db2.gz AROIOIXSTSHKLM-NSHDSACASA-N -1 0 322.365 -0.313 20 0 DBADRM CO[C@@H]1CCN(Cc2coc(S(N)(=O)=O)c2)[C@H](C(=O)[O-])C1 ZINC001599125126 1017520728 /nfs/dbraw/zinc/52/07/28/1017520728.db2.gz VVQSEASYAWGNMS-ZJUUUORDSA-N -1 0 318.351 -0.009 20 0 DBADRM CO[C@H]1CN(C(=O)CCn2cnccc2=O)[C@@](C)(C(=O)[O-])C1 ZINC001599132973 1017520809 /nfs/dbraw/zinc/52/08/09/1017520809.db2.gz HKGNBIIXLWLBJI-QMTHXVAHSA-N -1 0 309.322 -0.276 20 0 DBADRM COC1CCN(Cc2cn(CC(=O)NCC(=O)[O-])nn2)CC1 ZINC001599124529 1017520935 /nfs/dbraw/zinc/52/09/35/1017520935.db2.gz TXMUVBWHLBHQML-UHFFFAOYSA-N -1 0 311.342 -0.910 20 0 DBADRM COC1CCN(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)CC1 ZINC001599124831 1017521066 /nfs/dbraw/zinc/52/10/66/1017521066.db2.gz SEXBKXBNPULPRZ-LLVKDONJSA-N -1 0 324.424 -0.108 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2CCN=C3C2=NNN3C)[C@](C)(C(=O)[O-])C1 ZINC001599132442 1017521084 /nfs/dbraw/zinc/52/10/84/1017521084.db2.gz XVPSDBKNASMXDM-QIBSRJKCSA-N -1 0 323.353 -0.699 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)N[C@@]3(C(=O)[O-])C[C@@H](O)C3)nc2C1 ZINC001599127205 1017521677 /nfs/dbraw/zinc/52/16/77/1017521677.db2.gz GYWYVCRIRFNZNB-UINNMSKDSA-N -1 0 309.322 -0.448 20 0 DBADRM CO[C@@H]1CCN(CC(=O)N(C)Cc2cnn(C)c2)[C@H](C(=O)[O-])C1 ZINC001599124607 1017521843 /nfs/dbraw/zinc/52/18/43/1017521843.db2.gz WUJIXBGQVZSVPX-OLZOCXBDSA-N -1 0 324.381 -0.058 20 0 DBADRM CO[C@@H]1CN(c2nnnn2C[C@H]2CCOC2)[C@](C)(C(=O)[O-])C1 ZINC001599136366 1017522519 /nfs/dbraw/zinc/52/25/19/1017522519.db2.gz FSVDYHKXYHLAQA-NRUUGDAUSA-N -1 0 311.342 -0.222 20 0 DBADRM CO[C@@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)[C@@](C)(C(=O)[O-])C1 ZINC001599135632 1017522614 /nfs/dbraw/zinc/52/26/14/1017522614.db2.gz VQDXGWLMPQWCIL-XHDPSFHLSA-N -1 0 323.349 -0.049 20 0 DBADRM CO[C@H]1COCC[C@H]1CNS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001599137632 1017522691 /nfs/dbraw/zinc/52/26/91/1017522691.db2.gz HIHUMANKPPNIRU-UWVGGRQHSA-N -1 0 307.368 -0.178 20 0 DBADRM CO[C@H]1COCC[C@@H]1N(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001599137316 1017522917 /nfs/dbraw/zinc/52/29/17/1017522917.db2.gz ADTIKAVEITXHQG-IUCAKERBSA-N -1 0 319.339 -0.468 20 0 DBADRM CO[C@@H]1CN(c2nnnn2C[C@@H]2CCOC2)[C@@](C)(C(=O)[O-])C1 ZINC001599136367 1017523955 /nfs/dbraw/zinc/52/39/55/1017523955.db2.gz FSVDYHKXYHLAQA-OUJBWJOFSA-N -1 0 311.342 -0.222 20 0 DBADRM CO[C@H]1COCC[C@@H]1CNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599137128 1017524141 /nfs/dbraw/zinc/52/41/41/1017524141.db2.gz CCLHDLPUPKEYLV-USZNOCQGSA-N -1 0 316.354 -0.079 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001599137248 1017524391 /nfs/dbraw/zinc/52/43/91/1017524391.db2.gz DCUGKRYUFCCEMF-HBNTYKKESA-N -1 0 317.338 -0.240 20 0 DBADRM COCC(=O)N1CCN(C(=O)c2csc(C(=O)[O-])n2)CC1 ZINC001599139280 1017525111 /nfs/dbraw/zinc/52/51/11/1017525111.db2.gz JZTOJSMWWUQMBP-UHFFFAOYSA-N -1 0 313.335 -0.228 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001599137645 1017525889 /nfs/dbraw/zinc/52/58/89/1017525889.db2.gz HLWOKUAWYIPFIL-GARJFASQSA-N -1 0 314.338 -0.818 20 0 DBADRM COCC(=O)N1CC[C@](C)(CNc2ccnc(C(=O)[O-])n2)C1 ZINC001599139706 1017525954 /nfs/dbraw/zinc/52/59/54/1017525954.db2.gz PRLIEZWHPPQTDZ-CQSZACIVSA-N -1 0 308.338 -0.106 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599137911 1017526201 /nfs/dbraw/zinc/52/62/01/1017526201.db2.gz DYDNXSUEFMXMMU-CBAPKCEASA-N -1 0 317.319 -0.172 20 0 DBADRM COCC(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])n2C)CC1 ZINC001599138789 1017526375 /nfs/dbraw/zinc/52/63/75/1017526375.db2.gz BAVDUJQNMSCRBB-UHFFFAOYSA-N -1 0 309.322 -0.346 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccccc1C(=O)[O-] ZINC001599141531 1017527692 /nfs/dbraw/zinc/52/76/92/1017527692.db2.gz WJZNPDDNZLIQAL-QWRGUYRKSA-N -1 0 313.331 -0.073 20 0 DBADRM COCC(=O)NCCC(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC001599142621 1017527844 /nfs/dbraw/zinc/52/78/44/1017527844.db2.gz FIIAAOPGAUZDBN-UHFFFAOYSA-N -1 0 315.351 -0.114 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=S)NCCCC(=O)[O-] ZINC001599141206 1017528127 /nfs/dbraw/zinc/52/81/27/1017528127.db2.gz TYQANJMYHGELID-HTQZYQBOSA-N -1 0 310.397 -0.873 20 0 DBADRM COCC(=O)N[C@@]1(CO)CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001599142639 1017528456 /nfs/dbraw/zinc/52/84/56/1017528456.db2.gz KGGLDUQAEAZEAX-AWEZNQCLSA-N -1 0 324.337 -0.731 20 0 DBADRM COCC(=O)N(C)CC(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1 ZINC001599140488 1017528608 /nfs/dbraw/zinc/52/86/08/1017528608.db2.gz AEAGAVGDMHRWFG-MRVPVSSYSA-N -1 0 314.298 -0.928 20 0 DBADRM COCC(=O)N1C[C@H]2CN(c3ncc(C(=O)[O-])cn3)C[C@H]2C1 ZINC001599142963 1017528992 /nfs/dbraw/zinc/52/89/92/1017528992.db2.gz ONZCFTUGRATKTE-PHIMTYICSA-N -1 0 306.322 -0.284 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CCN=C2C1=NNN2C ZINC001599146850 1017530186 /nfs/dbraw/zinc/53/01/86/1017530186.db2.gz YOQJXGOWYBIEIB-ISVAXAHUSA-N -1 0 311.342 -0.793 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@]1(F)CCS(=O)(=O)C1 ZINC001599145764 1017530299 /nfs/dbraw/zinc/53/02/99/1017530299.db2.gz IWHNDFSAOUHCRX-MNOVXSKESA-N -1 0 311.331 -0.491 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001599149904 1017530484 /nfs/dbraw/zinc/53/04/84/1017530484.db2.gz LKKUERHJYDDSPI-BREBYQMCSA-N -1 0 312.326 -0.417 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001599146397 1017531243 /nfs/dbraw/zinc/53/12/43/1017531243.db2.gz UVFALNFAMKBZOT-NOZJJQNGSA-N -1 0 311.342 -0.378 20 0 DBADRM COC[C@](C)(NC(=O)CCc1ocnc1C(=O)OC)C(=O)[O-] ZINC001599153258 1017532125 /nfs/dbraw/zinc/53/21/25/1017532125.db2.gz KJQSNIAYFMWYDK-ZDUSSCGKSA-N -1 0 314.294 0.000 20 0 DBADRM COC[C@](C)(NC(=O)c1ccnc(N2CCOCC2)n1)C(=O)[O-] ZINC001599153093 1017532147 /nfs/dbraw/zinc/53/21/47/1017532147.db2.gz VYPQWTALQRUYSS-AWEZNQCLSA-N -1 0 324.337 -0.467 20 0 DBADRM COC[C@](C)(NC(=O)N1CC(O)(C(=O)[O-])C1)C(F)(F)F ZINC001599151759 1017532488 /nfs/dbraw/zinc/53/24/88/1017532488.db2.gz GNBFXWZZRZRKPC-QMMMGPOBSA-N -1 0 300.233 -0.205 20 0 DBADRM COC[C@@](C)(NC(=O)c1cn(C)c2c(cnn2C)c1=O)C(=O)[O-] ZINC001599153160 1017532498 /nfs/dbraw/zinc/53/24/98/1017532498.db2.gz ZPADONLJAYFOMF-CQSZACIVSA-N -1 0 322.321 -0.509 20 0 DBADRM COC[C@@](C)(O)CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001599155722 1017532810 /nfs/dbraw/zinc/53/28/10/1017532810.db2.gz LPXHPXUGZSKVQC-NSHDSACASA-N -1 0 304.324 -0.545 20 0 DBADRM COC[C@@](C)(NC(=O)COCC(=O)OC(C)(C)C)C(=O)[O-] ZINC001599153295 1017533002 /nfs/dbraw/zinc/53/30/02/1017533002.db2.gz NEZXJFJFSAXNFT-CYBMUJFWSA-N -1 0 305.327 -0.049 20 0 DBADRM COC[C@](C)(N[C@H]1CCN(C2CCOCC2)C1=O)C(=O)[O-] ZINC001599154584 1017533053 /nfs/dbraw/zinc/53/30/53/1017533053.db2.gz OSOYUWRXHQNGCV-FZMZJTMJSA-N -1 0 300.355 -0.154 20 0 DBADRM COC[C@@](C)(O)CNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001599155888 1017533320 /nfs/dbraw/zinc/53/33/20/1017533320.db2.gz QOWBYCVCCLIDCD-LBPRGKRZSA-N -1 0 318.351 -0.236 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599158017 1017534187 /nfs/dbraw/zinc/53/41/87/1017534187.db2.gz ABTSKIDAHXKRPT-GZMMTYOYSA-N -1 0 306.340 -0.344 20 0 DBADRM COC[C@@H](C)CNC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599156391 1017534814 /nfs/dbraw/zinc/53/48/14/1017534814.db2.gz BCGSTUGQBCDZMO-GXSJLCMTSA-N -1 0 316.354 -0.931 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)COC(=O)C1(C(=O)[O-])CC1 ZINC001599162381 1017535313 /nfs/dbraw/zinc/53/53/13/1017535313.db2.gz VPBHNAPHLUHLNZ-ZETCQYMHSA-N -1 0 302.283 -0.745 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001599158098 1017535530 /nfs/dbraw/zinc/53/55/30/1017535530.db2.gz AYJCYRXHIWWIPT-GUBZILKMSA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@@H](CCNC(=O)N1CC[C@](OC)(C(=O)[O-])C1)OC ZINC001599163118 1017538136 /nfs/dbraw/zinc/53/81/36/1017538136.db2.gz YIMAOIYUOXWECE-ZWNOBZJWSA-N -1 0 304.343 -0.077 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CCSC[C@@H]1C(=O)[O-] ZINC001599162513 1017537587 /nfs/dbraw/zinc/53/75/87/1017537587.db2.gz YKPYBJATVPSXIW-DTWKUNHWSA-N -1 0 319.383 -0.651 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)OC ZINC001599163255 1017537351 /nfs/dbraw/zinc/53/73/51/1017537351.db2.gz CPUQQQVDOAAMLQ-SECBINFHSA-N -1 0 313.310 -0.561 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1)OC ZINC001599163451 1017537628 /nfs/dbraw/zinc/53/76/28/1017537628.db2.gz JHACGLBAZGLORU-MRVPVSSYSA-N -1 0 311.294 -0.504 20 0 DBADRM COCC(COC)N1CCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC001599164725 1017537998 /nfs/dbraw/zinc/53/79/98/1017537998.db2.gz QRUMRNCWMUXCHM-UHFFFAOYSA-N -1 0 300.355 -0.343 20 0 DBADRM COC[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1)OC ZINC001599163452 1017538144 /nfs/dbraw/zinc/53/81/44/1017538144.db2.gz JHACGLBAZGLORU-QMMMGPOBSA-N -1 0 311.294 -0.504 20 0 DBADRM COC[C@H](CN1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O)OC ZINC001599163366 1017538317 /nfs/dbraw/zinc/53/83/17/1017538317.db2.gz GWTDRNNIQYTTJC-GUBZILKMSA-N -1 0 300.311 -0.225 20 0 DBADRM COC[C@H](CS(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-])OC ZINC001599166861 1017539923 /nfs/dbraw/zinc/53/99/23/1017539923.db2.gz QCTLBRCLEIRZDU-VHSXEESVSA-N -1 0 311.356 -0.847 20 0 DBADRM COC[C@H](CS(=O)(=O)N1CCOC[C@H]1CC(=O)[O-])OC ZINC001599166849 1017540232 /nfs/dbraw/zinc/54/02/32/1017540232.db2.gz QCTLBRCLEIRZDU-NXEZZACHSA-N -1 0 311.356 -0.847 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)OC ZINC001599163597 1017538490 /nfs/dbraw/zinc/53/84/90/1017538490.db2.gz OGYRYXNJLBAXCV-MXWKQRLJSA-N -1 0 316.354 -0.667 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001599164023 1017538566 /nfs/dbraw/zinc/53/85/66/1017538566.db2.gz CTVOVGJYTFIJAW-MRVPVSSYSA-N -1 0 304.324 -0.626 20 0 DBADRM COC[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)[O-] ZINC001599168463 1017539505 /nfs/dbraw/zinc/53/95/05/1017539505.db2.gz CCBXLKRFKAFRFB-GUBZILKMSA-N -1 0 312.322 -0.623 20 0 DBADRM COC[C@@H](NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)[O-] ZINC001599168464 1017539652 /nfs/dbraw/zinc/53/96/52/1017539652.db2.gz CCBXLKRFKAFRFB-KXUCPTDWSA-N -1 0 312.322 -0.623 20 0 DBADRM COC[C@@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC001599167556 1017540399 /nfs/dbraw/zinc/54/03/99/1017540399.db2.gz LFZOAERIHQDIER-MRVPVSSYSA-N -1 0 315.326 -0.687 20 0 DBADRM COC[C@H](NC(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001599166395 1017540429 /nfs/dbraw/zinc/54/04/29/1017540429.db2.gz BCMXJKLDRAGKSI-JTQLQIEISA-N -1 0 322.383 -0.736 20 0 DBADRM COC[C@@H](NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C1CC1 ZINC001599169164 1017542265 /nfs/dbraw/zinc/54/22/65/1017542265.db2.gz KBKUZXZWFCWPHV-IEBDPFPHSA-N -1 0 314.338 -0.772 20 0 DBADRM COC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)C(=O)[O-] ZINC001599171710 1017542476 /nfs/dbraw/zinc/54/24/76/1017542476.db2.gz LBNOIPABYMHGMF-SECBINFHSA-N -1 0 320.298 -0.698 20 0 DBADRM COC[C@@H](NC(=O)C(C)(C)NC(=O)COC(C)(C)C)C(=O)[O-] ZINC001599170599 1017542651 /nfs/dbraw/zinc/54/26/51/1017542651.db2.gz YVZOSTCSSCYVCK-SECBINFHSA-N -1 0 318.370 -0.088 20 0 DBADRM COC[C@@H](O)CCNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001599179435 1017543629 /nfs/dbraw/zinc/54/36/29/1017543629.db2.gz QFAPAMVLZNRJFS-VIFPVBQESA-N -1 0 318.351 -0.236 20 0 DBADRM COC[C@H](NC(=O)c1cnc2sc(C)cn2c1=O)C(=O)[O-] ZINC001599175831 1017543791 /nfs/dbraw/zinc/54/37/91/1017543791.db2.gz NEMQEVTVNCEDBB-QMMMGPOBSA-N -1 0 311.319 -0.106 20 0 DBADRM COC[C@@H](NS(=O)(=O)C1CCC(C(=O)[O-])CC1)C(=O)OC ZINC001599176072 1017544265 /nfs/dbraw/zinc/54/42/65/1017544265.db2.gz BHQVPIPRMIEHRR-UDNWOFFPSA-N -1 0 323.367 -0.263 20 0 DBADRM COC[C@@H](OC)C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001599180944 1017546509 /nfs/dbraw/zinc/54/65/09/1017546509.db2.gz DPWXUJGNSFRIJU-SECBINFHSA-N -1 0 323.367 -0.814 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001599186316 1017546548 /nfs/dbraw/zinc/54/65/48/1017546548.db2.gz IADKWVPRIMWNNP-OUAUKWLOSA-N -1 0 324.337 -0.105 20 0 DBADRM COC[C@H](OC)C(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001599182499 1017546634 /nfs/dbraw/zinc/54/66/34/1017546634.db2.gz OLILJRBQMHDQCQ-MNOVXSKESA-N -1 0 324.337 -0.469 20 0 DBADRM COCC1(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001599185492 1017547046 /nfs/dbraw/zinc/54/70/46/1017547046.db2.gz ZKJAAVHGUWCCQF-OAHLLOKOSA-N -1 0 312.366 -0.199 20 0 DBADRM COC[C@@H](OC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC001599181138 1017547097 /nfs/dbraw/zinc/54/70/97/1017547097.db2.gz GVOMTPGRLSUZLU-MRVPVSSYSA-N -1 0 321.307 -0.214 20 0 DBADRM COC[C@@H](OC)C(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001599182672 1017547409 /nfs/dbraw/zinc/54/74/09/1017547409.db2.gz QGBCXNAMEUFMQC-RKDXNWHRSA-N -1 0 312.326 -0.825 20 0 DBADRM COC[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)[O-] ZINC001599185634 1017547571 /nfs/dbraw/zinc/54/75/71/1017547571.db2.gz VEVKYFRUBVFZIO-VIFPVBQESA-N -1 0 320.323 -0.479 20 0 DBADRM COC[C@H](OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)[O-] ZINC001599180654 1017547611 /nfs/dbraw/zinc/54/76/11/1017547611.db2.gz PPAPHPVJAUAREQ-ISVAXAHUSA-N -1 0 314.294 -0.650 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC001599191263 1017548516 /nfs/dbraw/zinc/54/85/16/1017548516.db2.gz WXCJWOIUOGYNNJ-VYUIOLGVSA-N -1 0 300.311 -0.889 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001599191261 1017549257 /nfs/dbraw/zinc/54/92/57/1017549257.db2.gz WXCJWOIUOGYNNJ-IGJMFERPSA-N -1 0 300.311 -0.889 20 0 DBADRM COC[C@@H]1CC[C@H]([C@H]2COCCN2CC(=O)NCC(=O)[O-])O1 ZINC001599202272 1017550081 /nfs/dbraw/zinc/55/00/81/1017550081.db2.gz AGPQPSIGJCBODQ-QJPTWQEYSA-N -1 0 316.354 -0.918 20 0 DBADRM COCC1(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])CCC1 ZINC001599202205 1017550097 /nfs/dbraw/zinc/55/00/97/1017550097.db2.gz XFNAJUARWQKMKZ-UWVGGRQHSA-N -1 0 307.368 -0.205 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1c1nnnn1C[C@@H]1CCOC1 ZINC001599196248 1017550272 /nfs/dbraw/zinc/55/02/72/1017550272.db2.gz XFLWGJMHRDDQIK-GWCFXTLKSA-N -1 0 311.342 -0.220 20 0 DBADRM COC[C@@]1(C)CN([C@@H]2CCN(CCC(=O)[O-])C2=O)CCO1 ZINC001599195812 1017550952 /nfs/dbraw/zinc/55/09/52/1017550952.db2.gz WIPVBBAAHAGUER-BXUZGUMPSA-N -1 0 300.355 -0.201 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])C1 ZINC001599201524 1017551027 /nfs/dbraw/zinc/55/10/27/1017551027.db2.gz IYKIBVCKLFJTHR-UHFFFAOYSA-N -1 0 319.310 -0.094 20 0 DBADRM COC[C@@H]1CC[C@H]([C@@H]2COCCN2CC(=O)NCC(=O)[O-])O1 ZINC001599202273 1017551444 /nfs/dbraw/zinc/55/14/44/1017551444.db2.gz AGPQPSIGJCBODQ-SDDRHHMPSA-N -1 0 316.354 -0.918 20 0 DBADRM COC[C@]1(CO)CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001599200921 1017551497 /nfs/dbraw/zinc/55/14/97/1017551497.db2.gz KWBKYONFSQGSFG-GFCCVEGCSA-N -1 0 319.335 -0.003 20 0 DBADRM COCC1(NC(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)CC1 ZINC001599200675 1017551773 /nfs/dbraw/zinc/55/17/73/1017551773.db2.gz ZCQQRCQEUGZPND-UHFFFAOYSA-N -1 0 310.310 -0.490 20 0 DBADRM COCC1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)OC)CCC1 ZINC001599200740 1017551852 /nfs/dbraw/zinc/55/18/52/1017551852.db2.gz IDZPBWAYKNYTPZ-VIFPVBQESA-N -1 0 323.367 -0.261 20 0 DBADRM COC[C@@H]1CNCCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001599206799 1017552682 /nfs/dbraw/zinc/55/26/82/1017552682.db2.gz FXWPJUIXIGWXFK-VIFPVBQESA-N -1 0 317.367 -0.668 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC001599205556 1017553054 /nfs/dbraw/zinc/55/30/54/1017553054.db2.gz NREJVPSBEOOWIB-UKKRHICBSA-N -1 0 307.368 -0.085 20 0 DBADRM COC[C@H]1CCCCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001599204298 1017553109 /nfs/dbraw/zinc/55/31/09/1017553109.db2.gz DYXMAISCOOGWII-UWVGGRQHSA-N -1 0 304.318 -0.200 20 0 DBADRM COC[C@@H]1CNCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001599206803 1017553413 /nfs/dbraw/zinc/55/34/13/1017553413.db2.gz GAPXEYOLLBBDML-NSHDSACASA-N -1 0 314.363 -0.006 20 0 DBADRM COC[C@@H]1CNCCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001599207031 1017554246 /nfs/dbraw/zinc/55/42/46/1017554246.db2.gz GYRXBEVBULYVMZ-VIFPVBQESA-N -1 0 304.324 -0.413 20 0 DBADRM COCC[C@H](COC)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599211540 1017554889 /nfs/dbraw/zinc/55/48/89/1017554889.db2.gz LSPFMRNWHYNJDU-GMTAPVOTSA-N -1 0 304.343 -0.173 20 0 DBADRM COC[C@H]1CNCCN1S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001599208452 1017555027 /nfs/dbraw/zinc/55/50/27/1017555027.db2.gz UQUJYSMJWUAPFI-SNVBAGLBSA-N -1 0 315.351 -0.611 20 0 DBADRM COC[C@@H]1CNCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001599208674 1017555459 /nfs/dbraw/zinc/55/54/59/1017555459.db2.gz XZAXJJXOJQFKAL-ZETCQYMHSA-N -1 0 321.380 -0.550 20 0 DBADRM COCCC(C)(C)CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001599209180 1017555603 /nfs/dbraw/zinc/55/56/03/1017555603.db2.gz JZKLZMSQPCORNH-JTQLQIEISA-N -1 0 316.354 -0.523 20 0 DBADRM COCC[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)[O-])C(N)=O ZINC001599213144 1017555883 /nfs/dbraw/zinc/55/58/83/1017555883.db2.gz LYYFGIMWBOLEEC-SNVBAGLBSA-N -1 0 323.305 -0.670 20 0 DBADRM COCC[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C(=O)[O-] ZINC001599214296 1017556119 /nfs/dbraw/zinc/55/61/19/1017556119.db2.gz HPWCRLUGLCLDHK-RXMQYKEDSA-N -1 0 301.255 -0.884 20 0 DBADRM COCC[C@H](NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C(=O)[O-] ZINC001599214719 1017556325 /nfs/dbraw/zinc/55/63/25/1017556325.db2.gz MVNQGAXUHHOKMJ-NFMCEHEJSA-N -1 0 313.306 -0.687 20 0 DBADRM COCC[C@@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001599209605 1017556337 /nfs/dbraw/zinc/55/63/37/1017556337.db2.gz HSFKWQHUQKIDBF-GFCCVEGCSA-N -1 0 320.367 -0.211 20 0 DBADRM COCC[C@H](NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C(N)=O ZINC001599217267 1017557105 /nfs/dbraw/zinc/55/71/05/1017557105.db2.gz CTRMAXWMOIRFIJ-UTLUCORTSA-N -1 0 322.383 -0.560 20 0 DBADRM COCC[C@@H](NC(=O)c1ccnc(N2CCOCC2)n1)C(=O)[O-] ZINC001599217064 1017557271 /nfs/dbraw/zinc/55/72/71/1017557271.db2.gz DHTFUEFCHZUWND-LLVKDONJSA-N -1 0 324.337 -0.467 20 0 DBADRM COCC[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OC ZINC001599217980 1017557812 /nfs/dbraw/zinc/55/78/12/1017557812.db2.gz BAFCCECFIRVNBL-HRDYMLBCSA-N -1 0 309.340 -0.653 20 0 DBADRM COCC[C@H]1COCCN1C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001599221113 1017558422 /nfs/dbraw/zinc/55/84/22/1017558422.db2.gz JZZPRQOKMTXFHX-SRVKXCTJSA-N -1 0 316.354 -0.077 20 0 DBADRM COCCCOC1CN(C(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599227302 1017559287 /nfs/dbraw/zinc/55/92/87/1017559287.db2.gz SIPHNBHKJZFCIO-ONGXEEELSA-N -1 0 314.338 -0.913 20 0 DBADRM COCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001599224441 1017559683 /nfs/dbraw/zinc/55/96/83/1017559683.db2.gz QEHQHCDUDCNEKA-YFVNTRNASA-N -1 0 310.350 -0.293 20 0 DBADRM COCCCN(CCO)S(=O)(=O)c1scnc1C(=O)[O-] ZINC001599222091 1017559947 /nfs/dbraw/zinc/55/99/47/1017559947.db2.gz MTLHBJRWHBELGO-UHFFFAOYSA-N -1 0 324.380 -0.139 20 0 DBADRM COCCCn1nc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)ccc1=O ZINC001599229416 1017559988 /nfs/dbraw/zinc/55/99/88/1017559988.db2.gz HDDWBLNODOSXAL-IWIIMEHWSA-N -1 0 321.333 -0.318 20 0 DBADRM COCCCCCNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001599222425 1017560124 /nfs/dbraw/zinc/56/01/24/1017560124.db2.gz DVKKFQUTMDXIOV-WDEREUQCSA-N -1 0 316.354 -0.787 20 0 DBADRM COCCCNC(=O)[C@H](C)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599225915 1017560138 /nfs/dbraw/zinc/56/01/38/1017560138.db2.gz WVICXJMUPSNJHM-HZMBPMFUSA-N -1 0 313.354 -0.167 20 0 DBADRM COCCCOCC(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599226995 1017560489 /nfs/dbraw/zinc/56/04/89/1017560489.db2.gz NGVFPWLVLROMDH-MNOVXSKESA-N -1 0 314.338 -0.913 20 0 DBADRM COCCCCN(C)C(=O)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001599224260 1017560717 /nfs/dbraw/zinc/56/07/17/1017560717.db2.gz UBEGNDJCYJSYCW-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCCCCNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001599223737 1017561186 /nfs/dbraw/zinc/56/11/86/1017561186.db2.gz PNVDBEBQPBEKSI-UHFFFAOYSA-N -1 0 312.326 -0.010 20 0 DBADRM COCCCn1nccc1CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001599228779 1017561299 /nfs/dbraw/zinc/56/12/99/1017561299.db2.gz AHQJHYNTIBWDOY-GFCCVEGCSA-N -1 0 310.354 -0.305 20 0 DBADRM COCCCN1C(=O)N=NC1S[C@H](C)C(=O)NCC(=O)[O-] ZINC001599229105 1017561399 /nfs/dbraw/zinc/56/13/99/1017561399.db2.gz BTMMFHULPLKHRI-SSDOTTSWSA-N -1 0 318.355 -0.298 20 0 DBADRM COCCN(C)S(=O)(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001599232011 1017562657 /nfs/dbraw/zinc/56/26/57/1017562657.db2.gz KNCLAISHAQPYLE-UWVGGRQHSA-N -1 0 310.372 -0.864 20 0 DBADRM COCCCS(=O)(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001599226980 1017561545 /nfs/dbraw/zinc/56/15/45/1017561545.db2.gz LXFWLOVMBBVOJQ-VIFPVBQESA-N -1 0 311.356 -0.451 20 0 DBADRM COCCCOCCN(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001599226173 1017561593 /nfs/dbraw/zinc/56/15/93/1017561593.db2.gz DTOFAYMPIHKHSV-UHFFFAOYSA-N -1 0 321.355 -0.219 20 0 DBADRM COCCN(C)S(=O)(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001599231529 1017564812 /nfs/dbraw/zinc/56/48/12/1017564812.db2.gz UXSRREXFOCGJQB-UHFFFAOYSA-N -1 0 303.340 -0.308 20 0 DBADRM COCCNC(=O)C1(NS(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001599241454 1017567581 /nfs/dbraw/zinc/56/75/81/1017567581.db2.gz GIXCLUADDKIEGX-UHFFFAOYSA-N -1 0 320.367 -0.934 20 0 DBADRM COCCN1CCN(C(=O)C(=O)NCCCCC(=O)[O-])CC1 ZINC001599240759 1017567837 /nfs/dbraw/zinc/56/78/37/1017567837.db2.gz RMJUHMZQDUMMDF-UHFFFAOYSA-N -1 0 315.370 -0.852 20 0 DBADRM COCCNC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001599243678 1017567856 /nfs/dbraw/zinc/56/78/56/1017567856.db2.gz SRKKHGJCHUOEHY-ZDUSSCGKSA-N -1 0 301.343 -0.796 20 0 DBADRM COCCNC(=O)Cn1cc(Nc2ncc(C(=O)[O-])cn2)cn1 ZINC001599243182 1017569337 /nfs/dbraw/zinc/56/93/37/1017569337.db2.gz JJSMLSQVKSOWES-UHFFFAOYSA-N -1 0 320.309 -0.123 20 0 DBADRM COCCOC[C@@H]1CCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001599250280 1017570693 /nfs/dbraw/zinc/57/06/93/1017570693.db2.gz WWUSIVJZQJPDSQ-ZJUUUORDSA-N -1 0 320.317 -0.963 20 0 DBADRM COCCO[C@H]1C[C@H](CO)CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001599247537 1017570993 /nfs/dbraw/zinc/57/09/93/1017570993.db2.gz OQXKQSVTSRCWTQ-ZDEQEGDKSA-N -1 0 315.366 -0.030 20 0 DBADRM COCCO[C@H]1COCC[C@H]1NC(=O)NC1CC(C(=O)[O-])C1 ZINC001599250442 1017571667 /nfs/dbraw/zinc/57/16/67/1017571667.db2.gz WYOBERIYLUQRTH-HCWSGVFWSA-N -1 0 316.354 -0.031 20 0 DBADRM COCCOC[C@H](C)NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599249807 1017572016 /nfs/dbraw/zinc/57/20/16/1017572016.db2.gz ONLMZMHXMMTMCQ-DCAQKATOSA-N -1 0 304.343 -0.079 20 0 DBADRM COCCOCC(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001599249997 1017572121 /nfs/dbraw/zinc/57/21/21/1017572121.db2.gz RRQAFCDOZTVWMP-JTQLQIEISA-N -1 0 317.338 -0.096 20 0 DBADRM COCCOC[C@@H]1CCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1 ZINC001599251049 1017572904 /nfs/dbraw/zinc/57/29/04/1017572904.db2.gz RNMRQJAWFMUTNJ-MNOVXSKESA-N -1 0 302.327 -0.166 20 0 DBADRM COCCOCCC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599251159 1017573906 /nfs/dbraw/zinc/57/39/06/1017573906.db2.gz YHFZUJWRODKEIK-WDEREUQCSA-N -1 0 314.338 -0.913 20 0 DBADRM COCCOCCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001599250710 1017574080 /nfs/dbraw/zinc/57/40/80/1017574080.db2.gz RIAASJGTIZSRJW-WDEREUQCSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCOCCCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599250775 1017574779 /nfs/dbraw/zinc/57/47/79/1017574779.db2.gz VTTIYWSFAURRPT-GFCCVEGCSA-N -1 0 318.370 -0.093 20 0 DBADRM COCCOCCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001599250759 1017575051 /nfs/dbraw/zinc/57/50/51/1017575051.db2.gz VCFGMEJQKNTLKK-JTQLQIEISA-N -1 0 302.327 -0.911 20 0 DBADRM COCCn1cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)c(C)n1 ZINC001599270158 1017575832 /nfs/dbraw/zinc/57/58/32/1017575832.db2.gz XMBJCNKCLHLETR-UHFFFAOYSA-N -1 0 311.338 -0.110 20 0 DBADRM COCCS(=O)(=O)CC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001599261897 1017575889 /nfs/dbraw/zinc/57/58/89/1017575889.db2.gz FINNILORQMFQSK-UHFFFAOYSA-N -1 0 319.335 -0.036 20 0 DBADRM COCCS(=O)(=O)CCCN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599262620 1017575918 /nfs/dbraw/zinc/57/59/18/1017575918.db2.gz GLCSFKMFFWHBOQ-MNOVXSKESA-N -1 0 309.384 -0.388 20 0 DBADRM COCCn1c(N2CC[C@](F)(C(=O)[O-])C2)nnc1C1(O)CC1 ZINC001599267814 1017576091 /nfs/dbraw/zinc/57/60/91/1017576091.db2.gz IQQFDGRKSDKTMN-GFCCVEGCSA-N -1 0 314.317 -0.091 20 0 DBADRM COCCS(=O)(=O)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001599262679 1017576283 /nfs/dbraw/zinc/57/62/83/1017576283.db2.gz KOPMYNICXXKYGC-UHFFFAOYSA-N -1 0 322.364 -0.230 20 0 DBADRM COCCn1cc(C(=O)NCC2(C(=O)[O-])CCOCC2)nn1 ZINC001599271404 1017576321 /nfs/dbraw/zinc/57/63/21/1017576321.db2.gz INOUBYKOFYIPAY-UHFFFAOYSA-N -1 0 312.326 -0.464 20 0 DBADRM COCCn1c([C@@H](C)O)nnc1N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001599270092 1017576707 /nfs/dbraw/zinc/57/67/07/1017576707.db2.gz UDMXUDXLGQEMHV-RNCFNFMXSA-N -1 0 314.342 -0.342 20 0 DBADRM COCCn1c([C@H](C)CO)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001599265118 1017576777 /nfs/dbraw/zinc/57/67/77/1017576777.db2.gz IEXVDWVPUMTSQT-ZJUUUORDSA-N -1 0 314.342 -0.690 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])n1 ZINC001599271375 1017576791 /nfs/dbraw/zinc/57/67/91/1017576791.db2.gz LXWZKEKHEFHRQN-ZJUUUORDSA-N -1 0 324.337 -0.163 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001599262349 1017576836 /nfs/dbraw/zinc/57/68/36/1017576836.db2.gz MZXWAUZXOBPUJJ-VHSXEESVSA-N -1 0 307.368 -0.383 20 0 DBADRM COCCn1c([C@@H](C)O)nnc1N1CC[C@](OC)(C(=O)[O-])C1 ZINC001599270091 1017577084 /nfs/dbraw/zinc/57/70/84/1017577084.db2.gz UDMXUDXLGQEMHV-NOZJJQNGSA-N -1 0 314.342 -0.342 20 0 DBADRM COCCc1noc(CN2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001599264950 1017577137 /nfs/dbraw/zinc/57/71/37/1017577137.db2.gz LENJXMCUQLWSHX-NXEZZACHSA-N -1 0 324.337 -0.720 20 0 DBADRM COCCS(=O)(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599262794 1017577160 /nfs/dbraw/zinc/57/71/60/1017577160.db2.gz OWLPKYREFURRTD-MRVPVSSYSA-N -1 0 304.328 -0.801 20 0 DBADRM COCCn1ccc(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)n1 ZINC001599271720 1017577697 /nfs/dbraw/zinc/57/76/97/1017577697.db2.gz PRUWSDQXJAHNSR-GHMZBOCLSA-N -1 0 311.338 -0.003 20 0 DBADRM COCCn1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1 ZINC001599272132 1017577711 /nfs/dbraw/zinc/57/77/11/1017577711.db2.gz RXDMPUPBERZUNU-SNVBAGLBSA-N -1 0 324.337 -0.209 20 0 DBADRM COCCn1ccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1 ZINC001599272131 1017578302 /nfs/dbraw/zinc/57/83/02/1017578302.db2.gz RXDMPUPBERZUNU-JTQLQIEISA-N -1 0 324.337 -0.209 20 0 DBADRM COC[C@@H](O)CNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001599275727 1017578368 /nfs/dbraw/zinc/57/83/68/1017578368.db2.gz FEJMSLZOIOLTOC-LURJTMIESA-N -1 0 302.308 -0.492 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001599276812 1017578856 /nfs/dbraw/zinc/57/88/56/1017578856.db2.gz INZSOUNWZPOVHF-VIFPVBQESA-N -1 0 310.306 -0.245 20 0 DBADRM COCCn1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c(=O)cc1C ZINC001599272640 1017578574 /nfs/dbraw/zinc/57/85/74/1017578574.db2.gz WHPTXVHPTQXGHP-ZDUSSCGKSA-N -1 0 324.333 -0.271 20 0 DBADRM COC[C@H]1C[C@@H](NC(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)C1 ZINC001599277696 1017580358 /nfs/dbraw/zinc/58/03/58/1017580358.db2.gz OSBKNXOBFCYQIK-YTWAJWBKSA-N -1 0 314.338 -0.073 20 0 DBADRM COCc1ccc(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001599295187 1017580774 /nfs/dbraw/zinc/58/07/74/1017580774.db2.gz KIVSPLJIVZKDQY-UHFFFAOYSA-N -1 0 301.320 -0.347 20 0 DBADRM COC[C@@H]1NC(=O)N([C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)C1=O ZINC001599277000 1017581223 /nfs/dbraw/zinc/58/12/23/1017581223.db2.gz OUGFSAWNCSTSTD-HDCINBLHSA-N -1 0 312.322 -0.034 20 0 DBADRM COCOc1ccc(OC)cc1CNCC(=O)NCC(=O)[O-] ZINC001599277901 1017581553 /nfs/dbraw/zinc/58/15/53/1017581553.db2.gz OFJPPVDOZDDNLO-UHFFFAOYSA-N -1 0 312.322 -0.032 20 0 DBADRM COCc1noc(CNC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001599307422 1017583061 /nfs/dbraw/zinc/58/30/61/1017583061.db2.gz BOCGVTDSHXFWJX-DTWKUNHWSA-N -1 0 324.337 -0.325 20 0 DBADRM COCc1nocc1C(=O)NCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001599306722 1017583671 /nfs/dbraw/zinc/58/36/71/1017583671.db2.gz GJGPSJKYPWVGKI-YUMQZZPRSA-N -1 0 311.294 -0.612 20 0 DBADRM COCn1nccc1S(=O)(=O)N[C@](C)(COC)C(=O)[O-] ZINC001599307625 1017583780 /nfs/dbraw/zinc/58/37/80/1017583780.db2.gz CULGKQRUEVITRS-SNVBAGLBSA-N -1 0 307.328 -0.745 20 0 DBADRM COCc1noc(CN(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001599307720 1017583868 /nfs/dbraw/zinc/58/38/68/1017583868.db2.gz DYFAPLXCYSOPTJ-DTWKUNHWSA-N -1 0 312.326 -0.515 20 0 DBADRM COCc1nccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)n1 ZINC001599305468 1017584406 /nfs/dbraw/zinc/58/44/06/1017584406.db2.gz TZMYJWHSOHBQON-DTWKUNHWSA-N -1 0 322.321 -0.117 20 0 DBADRM COCn1nccc1S(=O)(=O)NCc1nc(C(=O)[O-])co1 ZINC001599308008 1017584517 /nfs/dbraw/zinc/58/45/17/1017584517.db2.gz FNZGXAZERGTFBK-UHFFFAOYSA-N -1 0 316.295 -0.348 20 0 DBADRM COCc1nocc1C(=O)NCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001599306716 1017584720 /nfs/dbraw/zinc/58/47/20/1017584720.db2.gz GJGPSJKYPWVGKI-HTQZYQBOSA-N -1 0 311.294 -0.612 20 0 DBADRM COCn1ccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])n1 ZINC001599307221 1017584758 /nfs/dbraw/zinc/58/47/58/1017584758.db2.gz OSRUIZJXYKCSMP-SNVBAGLBSA-N -1 0 310.310 -0.708 20 0 DBADRM CON(C)C(=O)Cn1cc(CN2CCCC[C@@H]2C(=O)[O-])nn1 ZINC001599314428 1017585360 /nfs/dbraw/zinc/58/53/60/1017585360.db2.gz DHVSDMRMVKFCLT-LLVKDONJSA-N -1 0 311.342 -0.263 20 0 DBADRM CON1CCC(NC(=O)C(=O)NC2CC(CC(=O)[O-])C2)CC1 ZINC001599318858 1017585781 /nfs/dbraw/zinc/58/57/81/1017585781.db2.gz PZJVEPXTCCQXDO-UHFFFAOYSA-N -1 0 313.354 -0.502 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001599315066 1017586135 /nfs/dbraw/zinc/58/61/35/1017586135.db2.gz LGFNTNVPRWZHJR-IWSPIJDZSA-N -1 0 303.315 -0.722 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001599314183 1017587059 /nfs/dbraw/zinc/58/70/59/1017587059.db2.gz CRYFOCJZMBLICS-VIFPVBQESA-N -1 0 312.326 -0.114 20 0 DBADRM CON(C)C(=O)C1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC001599316004 1017587233 /nfs/dbraw/zinc/58/72/33/1017587233.db2.gz SJUFQQQDGNMMON-UHFFFAOYSA-N -1 0 324.337 -0.160 20 0 DBADRM CO[C@@H](C)Cn1nnnc1N1C[C@@H]2COCC[C@]2(C(=O)[O-])C1 ZINC001599319584 1017588238 /nfs/dbraw/zinc/58/82/38/1017588238.db2.gz DUHAERXZMGARGK-CWSCBRNRSA-N -1 0 311.342 -0.365 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C[C@H]1O ZINC001599323359 1017588351 /nfs/dbraw/zinc/58/83/51/1017588351.db2.gz NKPFYSXSJVCWHI-ZDCRXTMVSA-N -1 0 307.368 -0.349 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001599322106 1017588522 /nfs/dbraw/zinc/58/85/22/1017588522.db2.gz HCNWSNCHYRPICI-ZDCRXTMVSA-N -1 0 302.327 -0.421 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001599322334 1017588959 /nfs/dbraw/zinc/58/89/59/1017588959.db2.gz IPRMCOOTQJWFAO-GWOFURMSSA-N -1 0 314.338 -0.914 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001599327952 1017591211 /nfs/dbraw/zinc/59/12/11/1017591211.db2.gz GBNIPEQOJPUEMQ-IMJSIDKUSA-N -1 0 319.220 -0.408 20 0 DBADRM COc1c(C(=O)NCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])cnn1C ZINC001599329023 1017591975 /nfs/dbraw/zinc/59/19/75/1017591975.db2.gz PMNHBJRUNOOUOX-DTWKUNHWSA-N -1 0 324.337 -0.662 20 0 DBADRM CO[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)C1 ZINC001599325565 1017592032 /nfs/dbraw/zinc/59/20/32/1017592032.db2.gz LQIMKMCECWQFGD-UHFZAUJKSA-N -1 0 310.350 -0.151 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001599328381 1017592058 /nfs/dbraw/zinc/59/20/58/1017592058.db2.gz IUUYNMQYFLMIKG-GFCCVEGCSA-N -1 0 313.266 -0.788 20 0 DBADRM CO[C@H]1C[C@@H](CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001599326432 1017592559 /nfs/dbraw/zinc/59/25/59/1017592559.db2.gz ZQPPEEJAWQMOCX-AATLWQCWSA-N -1 0 301.343 -0.312 20 0 DBADRM COc1c(C(=O)[O-])ncnc1N1CCS(=O)(=O)[C@@H](C)C1 ZINC001599332188 1017592656 /nfs/dbraw/zinc/59/26/56/1017592656.db2.gz UHWOERPAVOSEKT-ZETCQYMHSA-N -1 0 301.324 -0.193 20 0 DBADRM COc1c(C(=O)NCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cnn1C ZINC001599329022 1017592814 /nfs/dbraw/zinc/59/28/14/1017592814.db2.gz PMNHBJRUNOOUOX-BDAKNGLRSA-N -1 0 324.337 -0.662 20 0 DBADRM COc1cc(C(=O)NC2(C(=O)[O-])CC2)sc1S(N)(=O)=O ZINC001599353158 1017593822 /nfs/dbraw/zinc/59/38/22/1017593822.db2.gz MJGPQPBIALTCEU-UHFFFAOYSA-N -1 0 320.348 -0.249 20 0 DBADRM COc1cc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)nn1C ZINC001599350914 1017593841 /nfs/dbraw/zinc/59/38/41/1017593841.db2.gz GRCHBWWLHHOOEB-MRVPVSSYSA-N -1 0 320.309 -0.194 20 0 DBADRM COc1c(NCC(C)(C)CS(N)(=O)=O)ncnc1C(=O)[O-] ZINC001599343300 1017594270 /nfs/dbraw/zinc/59/42/70/1017594270.db2.gz MHAKCYFERAVYMZ-UHFFFAOYSA-N -1 0 318.355 -0.090 20 0 DBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)NC1(C(N)=O)CC1 ZINC001599382421 1017594314 /nfs/dbraw/zinc/59/43/14/1017594314.db2.gz ZWELJSMYGMRYJG-UHFFFAOYSA-N -1 0 314.319 -0.310 20 0 DBADRM COc1cc(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)on1 ZINC001599349885 1017594475 /nfs/dbraw/zinc/59/44/75/1017594475.db2.gz IQGUPZVDGTVGMT-DTWKUNHWSA-N -1 0 323.305 -0.313 20 0 DBADRM COc1c[nH]c(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)cc1=O ZINC001599345936 1017594497 /nfs/dbraw/zinc/59/44/97/1017594497.db2.gz VAAMJKSWWIBLNS-DTWKUNHWSA-N -1 0 310.306 -0.149 20 0 DBADRM COc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])on1 ZINC001599351105 1017594616 /nfs/dbraw/zinc/59/46/16/1017594616.db2.gz DNNPZKFVFXSORM-ZETCQYMHSA-N -1 0 318.307 -0.603 20 0 DBADRM COc1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)on1 ZINC001599349884 1017595299 /nfs/dbraw/zinc/59/52/99/1017595299.db2.gz IQGUPZVDGTVGMT-BDAKNGLRSA-N -1 0 323.305 -0.313 20 0 DBADRM COc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1C ZINC001599352699 1017595441 /nfs/dbraw/zinc/59/54/41/1017595441.db2.gz YWLCUOGHYTXCTI-BDAKNGLRSA-N -1 0 322.321 -0.910 20 0 DBADRM COc1cc(C(=N)NO[C@@H]2CCN(CCC(=O)[O-])C2=O)ncn1 ZINC001599389103 1017596585 /nfs/dbraw/zinc/59/65/85/1017596585.db2.gz CSWQMLAUSXTWDY-SECBINFHSA-N -1 0 323.309 -0.593 20 0 DBADRM COc1cc(C)cnc1C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001599395230 1017596700 /nfs/dbraw/zinc/59/67/00/1017596700.db2.gz RVBGOWKQVSKEEK-VIFPVBQESA-N -1 0 305.294 -0.127 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)ncn1 ZINC001599428765 1017596780 /nfs/dbraw/zinc/59/67/80/1017596780.db2.gz MSAOTHPYSXCYER-QMMMGPOBSA-N -1 0 324.293 -0.874 20 0 DBADRM COc1cc(NC(=O)C(=O)N[C@H]2CCNC2=O)ccc1C(=O)[O-] ZINC001599430469 1017596914 /nfs/dbraw/zinc/59/69/14/1017596914.db2.gz ZSJCMZBUMSTFQO-VIFPVBQESA-N -1 0 321.289 -0.663 20 0 DBADRM COc1cc(NC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])[nH]n1 ZINC001599435359 1017597171 /nfs/dbraw/zinc/59/71/71/1017597171.db2.gz NCRROYNLCVDNHK-ZETCQYMHSA-N -1 0 311.298 -0.385 20 0 DBADRM COc1cc(NC(=O)CN2CC(=O)NC2=O)ccc1C(=O)[O-] ZINC001599432898 1017597406 /nfs/dbraw/zinc/59/74/06/1017597406.db2.gz VBHQFRLFIANXMQ-UHFFFAOYSA-N -1 0 307.262 -0.116 20 0 DBADRM COc1cc(NC(=O)C(=O)NCCOCC(=O)[O-])ccc1F ZINC001599430163 1017597531 /nfs/dbraw/zinc/59/75/31/1017597531.db2.gz VPWDVQDGFGQHIS-UHFFFAOYSA-N -1 0 314.269 -0.010 20 0 DBADRM COc1cc(COCC(=O)Nc2n[nH]c(CC(=O)[O-])n2)ccn1 ZINC001599416635 1017598159 /nfs/dbraw/zinc/59/81/59/1017598159.db2.gz AZVIZRJBARYYEB-UHFFFAOYSA-N -1 0 321.293 -0.009 20 0 DBADRM COc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N(C)CC(N)=O ZINC001599422524 1017598276 /nfs/dbraw/zinc/59/82/76/1017598276.db2.gz XXKHPMKDCFXWPY-UHFFFAOYSA-N -1 0 320.298 -0.362 20 0 DBADRM COc1cc(C(N)=O)ccc1NC(=O)NC[C@H](O)CC(=O)[O-] ZINC001599389830 1017598353 /nfs/dbraw/zinc/59/83/53/1017598353.db2.gz NHEVMHCFKVGHAE-MRVPVSSYSA-N -1 0 311.294 -0.249 20 0 DBADRM COc1cc(CS(=O)(=O)NC[C@@H](O)CC(=O)[O-])sn1 ZINC001599416847 1017598411 /nfs/dbraw/zinc/59/84/11/1017598411.db2.gz KLQTZHFTBGTOCO-LURJTMIESA-N -1 0 310.353 -0.593 20 0 DBADRM COc1cc(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)cnc1Cl ZINC001599459732 1017599093 /nfs/dbraw/zinc/59/90/93/1017599093.db2.gz MFQDLUQBARILCO-UHFFFAOYSA-N -1 0 322.726 -0.436 20 0 DBADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)N2CC(=O)N(C)C2)c1 ZINC001599492011 1017599459 /nfs/dbraw/zinc/59/94/59/1017599459.db2.gz KLECTXFSTYNQMI-UHFFFAOYSA-N -1 0 314.319 -0.186 20 0 DBADRM COc1cc[nH]c(=O)c1C(=O)NCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599467201 1017599574 /nfs/dbraw/zinc/59/95/74/1017599574.db2.gz YHNJAPJIDKAOKW-JGVFFNPUSA-N -1 0 323.305 -0.638 20 0 DBADRM COc1cc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])ccc1F ZINC001599458920 1017599654 /nfs/dbraw/zinc/59/96/54/1017599654.db2.gz QYLVLPZRMQLCNY-ZETCQYMHSA-N -1 0 307.299 -0.052 20 0 DBADRM COc1cc(OC)nc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)n1 ZINC001599454824 1017600215 /nfs/dbraw/zinc/60/02/15/1017600215.db2.gz DTZVSSYGMDZUPQ-ZDUSSCGKSA-N -1 0 311.294 -0.143 20 0 DBADRM COc1ccc([C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C(=O)[O-])cc1 ZINC001599518892 1017601116 /nfs/dbraw/zinc/60/11/16/1017601116.db2.gz JXVCYYPKYZNFLA-RNCFNFMXSA-N -1 0 320.301 -0.010 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1 ZINC001599586375 1017602452 /nfs/dbraw/zinc/60/24/52/1017602452.db2.gz QGLGVVDJJBIPGJ-ONGXEEELSA-N -1 0 322.317 -0.072 20 0 DBADRM CS(=O)(=O)[C@H]1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001599747105 1017619013 /nfs/dbraw/zinc/61/90/13/1017619013.db2.gz DBLWJEJTRMCSFW-QMMMGPOBSA-N -1 0 311.381 -0.558 20 0 DBADRM COc1ccc(C=O)cc1C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001599543005 1017603268 /nfs/dbraw/zinc/60/32/68/1017603268.db2.gz QSECCTPGEVWZAE-LLVKDONJSA-N -1 0 318.289 -0.018 20 0 DBADRM COc1ccc(CNC(=O)CN2CCNC(=O)C2)cc1C(=O)[O-] ZINC001599565681 1017603409 /nfs/dbraw/zinc/60/34/09/1017603409.db2.gz ZSPNXCZOEINMRI-UHFFFAOYSA-N -1 0 321.333 -0.559 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](C)CC(N)=O)c(C(=O)[O-])c1 ZINC001599612235 1017604714 /nfs/dbraw/zinc/60/47/14/1017604714.db2.gz GGNGPGLCGBYRML-ZETCQYMHSA-N -1 0 316.335 -0.064 20 0 DBADRM COc1ccc(S(=O)(=O)N(C)CCC(N)=O)c(C(=O)[O-])c1 ZINC001599608790 1017605157 /nfs/dbraw/zinc/60/51/57/1017605157.db2.gz JJYJDZLOSZTAET-UHFFFAOYSA-N -1 0 316.335 -0.111 20 0 DBADRM COc1cccc(CC(=O)N[C@@H](CC2OCCO2)C(=O)[O-])n1 ZINC001599664481 1017605444 /nfs/dbraw/zinc/60/54/44/1017605444.db2.gz DEIBDTAMKKEYRL-JTQLQIEISA-N -1 0 310.306 -0.035 20 0 DBADRM COc1ccc(OC)c(NC(=O)C(=O)N[C@H](CO)C(=O)[O-])c1 ZINC001599604644 1017605642 /nfs/dbraw/zinc/60/56/42/1017605642.db2.gz MJWOJGMSVICCSR-SECBINFHSA-N -1 0 312.278 -0.796 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cn1 ZINC001599588799 1017605933 /nfs/dbraw/zinc/60/59/33/1017605933.db2.gz UGITVSXWANMXHO-JZYVYDRUSA-N -1 0 305.290 -0.182 20 0 DBADRM COc1ccc(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)c(F)c1 ZINC001599609379 1017606689 /nfs/dbraw/zinc/60/66/89/1017606689.db2.gz BGPVHQZCMLVJSP-UHFFFAOYSA-N -1 0 305.283 -0.346 20 0 DBADRM COc1ccccc1C(=O)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001599696070 1017607538 /nfs/dbraw/zinc/60/75/38/1017607538.db2.gz OLCGKJFJEQKXAV-SNVBAGLBSA-N -1 0 320.301 -0.320 20 0 DBADRM COc1ccccc1[C@H](O)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001599702430 1017607942 /nfs/dbraw/zinc/60/79/42/1017607942.db2.gz XGLGMPDUVGDRHF-PWSUYJOCSA-N -1 0 320.305 -0.410 20 0 DBADRM CCCC(=O)NC1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001498081932 1017607880 /nfs/dbraw/zinc/60/78/80/1017607880.db2.gz MSRWABRJJJVIGF-UHFFFAOYSA-N -1 0 318.337 -0.802 20 0 DBADRM COc1cccn2c(=O)n(CN3CC[C@@](OC)(C(=O)[O-])C3)nc12 ZINC001599719463 1017608518 /nfs/dbraw/zinc/60/85/18/1017608518.db2.gz PGBMGPODCOJBEX-AWEZNQCLSA-N -1 0 322.321 -0.362 20 0 DBADRM COc1ccccc1COC[C@@H](O)Cn1nnc(CC(=O)[O-])n1 ZINC001599712423 1017608678 /nfs/dbraw/zinc/60/86/78/1017608678.db2.gz DSRXPIFNJHUUEH-NSHDSACASA-N -1 0 322.321 -0.114 20 0 DBADRM COc1cccc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])c1OC ZINC001599684587 1017609106 /nfs/dbraw/zinc/60/91/06/1017609106.db2.gz VSCDNNOYVFJILA-LBPRGKRZSA-N -1 0 319.335 -0.182 20 0 DBADRM COc1cccc([C@H](NC(=O)C2CS(=O)(=O)C2)C(=O)[O-])c1 ZINC001599685234 1017609220 /nfs/dbraw/zinc/60/92/20/1017609220.db2.gz HARQYYDALPRTDF-NSHDSACASA-N -1 0 313.331 -0.018 20 0 DBADRM COc1cccc(C[C@@H](O)C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC001599671144 1017609463 /nfs/dbraw/zinc/60/94/63/1017609463.db2.gz ATJXEFDJQHFDCV-RAIGVLPGSA-N -1 0 309.318 -0.355 20 0 DBADRM COc1cnc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)nc1 ZINC001599723242 1017610283 /nfs/dbraw/zinc/61/02/83/1017610283.db2.gz GHJUKFMIDDRLMU-UHFFFAOYSA-N -1 0 304.266 -0.528 20 0 DBADRM COc1cncnc1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001599728343 1017611057 /nfs/dbraw/zinc/61/10/57/1017611057.db2.gz QTXTYGKCMQJJJJ-MRVPVSSYSA-N -1 0 308.294 -0.253 20 0 DBADRM COc1cnc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)nc1 ZINC001599724184 1017611073 /nfs/dbraw/zinc/61/10/73/1017611073.db2.gz BABMYMGTYUJUNR-VIFPVBQESA-N -1 0 308.294 -0.253 20 0 DBADRM COc1cnc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)nc1 ZINC001599723676 1017611321 /nfs/dbraw/zinc/61/13/21/1017611321.db2.gz SLUCIHJZGMOBDT-CYBMUJFWSA-N -1 0 306.278 -0.069 20 0 DBADRM COc1cncnc1NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001599728344 1017611333 /nfs/dbraw/zinc/61/13/33/1017611333.db2.gz QTXTYGKCMQJJJJ-QMMMGPOBSA-N -1 0 308.294 -0.253 20 0 DBADRM COc1cnc(F)c(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC001599725053 1017611826 /nfs/dbraw/zinc/61/18/26/1017611826.db2.gz TZTMAXJNZFBLKZ-BQBZGAKWSA-N -1 0 313.285 -0.063 20 0 DBADRM COc1cncc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001599726078 1017612057 /nfs/dbraw/zinc/61/20/57/1017612057.db2.gz WXKUUZHFEKBJDH-RKDXNWHRSA-N -1 0 320.305 -0.854 20 0 DBADRM COc1cncc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)n1 ZINC001599725587 1017612078 /nfs/dbraw/zinc/61/20/78/1017612078.db2.gz LRMFODIAGYMNAN-ZDUSSCGKSA-N -1 0 306.278 -0.069 20 0 DBADRM COc1ncccc1NC(=O)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001599737787 1017613465 /nfs/dbraw/zinc/61/34/65/1017613465.db2.gz RUYHCJAEOSOTJG-ZJUUUORDSA-N -1 0 323.305 -0.535 20 0 DBADRM COc1ncccc1NC(=O)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001599737321 1017613779 /nfs/dbraw/zinc/61/37/79/1017613779.db2.gz FCMRDIXQEQRIGY-MBTKJCJQSA-N -1 0 305.290 -0.182 20 0 DBADRM COc1nccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC001599734914 1017613814 /nfs/dbraw/zinc/61/38/14/1017613814.db2.gz AKDZYJLDOZLIRE-HTQZYQBOSA-N -1 0 308.294 -0.397 20 0 DBADRM COc1ncc(CCNC(=O)Cn2cc(C(=O)[O-])cn2)cn1 ZINC001599735848 1017613833 /nfs/dbraw/zinc/61/38/33/1017613833.db2.gz XYVDFTQRRHLVDJ-UHFFFAOYSA-N -1 0 305.294 -0.261 20 0 DBADRM COc1nccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])n1 ZINC001599735104 1017614000 /nfs/dbraw/zinc/61/40/00/1017614000.db2.gz PJGUXLLQNCYWTE-UHFFFAOYSA-N -1 0 324.337 -0.656 20 0 DBADRM COc1nc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)co1 ZINC001599730434 1017614208 /nfs/dbraw/zinc/61/42/08/1017614208.db2.gz NLIDAFCAJPBNQY-HTQZYQBOSA-N -1 0 309.278 -0.656 20 0 DBADRM CS(=O)(=O)C1(C(=O)NCc2ocnc2C(=O)[O-])CCC1 ZINC001599744325 1017615024 /nfs/dbraw/zinc/61/50/24/1017615024.db2.gz SSRZZRZCXLBZEE-UHFFFAOYSA-N -1 0 302.308 -0.044 20 0 DBADRM COc1nn(C)cc1CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599740148 1017615537 /nfs/dbraw/zinc/61/55/37/1017615537.db2.gz YGLKQVHQJOKADW-JTQLQIEISA-N -1 0 312.326 -0.186 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)CCn3cncn3)C2)c1[O-] ZINC001498094947 1017615889 /nfs/dbraw/zinc/61/58/89/1017615889.db2.gz HKRJNUIEEKMUAQ-UHFFFAOYSA-N -1 0 319.325 -0.954 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])CC1 ZINC001599748651 1017617649 /nfs/dbraw/zinc/61/76/49/1017617649.db2.gz NJMVWOLDCRVOGR-BDAKNGLRSA-N -1 0 305.352 -0.752 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCC1 ZINC001599745653 1017618339 /nfs/dbraw/zinc/61/83/39/1017618339.db2.gz GXBXYCIWVVVUHD-BDAKNGLRSA-N -1 0 305.352 -0.298 20 0 DBADRM CS(=O)(=O)CC1CCN(Cn2cc(C(=O)[O-])nn2)CC1 ZINC001599748494 1017618385 /nfs/dbraw/zinc/61/83/85/1017618385.db2.gz HWVCYPALSPPWBQ-UHFFFAOYSA-N -1 0 302.356 -0.310 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(c2cnc(C(=O)[O-])cn2)CCO1 ZINC001599748273 1017618736 /nfs/dbraw/zinc/61/87/36/1017618736.db2.gz DERNTRYRAQMLHA-QMMMGPOBSA-N -1 0 301.324 -0.575 20 0 DBADRM CS(=O)(=O)CC1(NC(=O)c2c[nH]c(C(=O)[O-])c2)COC1 ZINC001599747881 1017618786 /nfs/dbraw/zinc/61/87/86/1017618786.db2.gz GKTIDNVJSYIYOC-UHFFFAOYSA-N -1 0 302.308 -0.744 20 0 DBADRM CSCC[C@@H](C)NC(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599794994 1017635241 /nfs/dbraw/zinc/63/52/41/1017635241.db2.gz FXRMKOWGKHYXSG-OPRDCNLKSA-N -1 0 318.395 -0.150 20 0 DBADRM CS(=O)(=O)[C@@H]1CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001599746901 1017618991 /nfs/dbraw/zinc/61/89/91/1017618991.db2.gz UBWSGUIVMAKQFL-NXEZZACHSA-N -1 0 304.368 -0.819 20 0 DBADRM CS(=O)(=O)C[C@H](C(=O)N[C@H](CO)C(=O)[O-])c1ccccc1 ZINC001599749759 1017619998 /nfs/dbraw/zinc/61/99/98/1017619998.db2.gz WQFOGUXPFKOMFF-WDEREUQCSA-N -1 0 315.347 -0.624 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001599749890 1017620467 /nfs/dbraw/zinc/62/04/67/1017620467.db2.gz ZOWJTPJRTILWEK-GHMZBOCLSA-N -1 0 318.395 -0.572 20 0 DBADRM CS(=O)(=O)Cc1nc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)co1 ZINC001599753184 1017620687 /nfs/dbraw/zinc/62/06/87/1017620687.db2.gz CRNGMHXBXUSKDJ-MTBHXBHISA-N -1 0 314.319 -0.378 20 0 DBADRM CS(=O)(=O)CCN1CCC(NC(=O)CCCC(=O)[O-])CC1 ZINC001599751197 1017620798 /nfs/dbraw/zinc/62/07/98/1017620798.db2.gz BKGQLXVAEVAKET-UHFFFAOYSA-N -1 0 320.411 -0.134 20 0 DBADRM CS(=O)(=O)CCCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001599750711 1017620813 /nfs/dbraw/zinc/62/08/13/1017620813.db2.gz DPRZJIFBOHTJRH-VHSXEESVSA-N -1 0 307.368 -0.193 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCN(Cn2cc(C(=O)[O-])nn2)C1 ZINC001599749808 1017620927 /nfs/dbraw/zinc/62/09/27/1017620927.db2.gz WOPYNGDAVXAJOK-VIFPVBQESA-N -1 0 302.356 -0.310 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC001599753620 1017622125 /nfs/dbraw/zinc/62/21/25/1017622125.db2.gz AOMAXKGDXMHFPP-LLVKDONJSA-N -1 0 312.347 -0.180 20 0 DBADRM CS(=O)(=O)Cc1nc(CN2C[C@H](O)C[C@H]2C(=O)[O-])cs1 ZINC001599753596 1017622396 /nfs/dbraw/zinc/62/23/96/1017622396.db2.gz ZQYIPRQQEHKMQE-BDAKNGLRSA-N -1 0 320.392 -0.293 20 0 DBADRM CS(=O)(=O)Cc1nc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])cs1 ZINC001599753598 1017622663 /nfs/dbraw/zinc/62/26/63/1017622663.db2.gz ZQYIPRQQEHKMQE-IUCAKERBSA-N -1 0 320.392 -0.293 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599755697 1017623124 /nfs/dbraw/zinc/62/31/24/1017623124.db2.gz KNMFUSVQIWYOJR-IWSPIJDZSA-N -1 0 305.356 -0.960 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N2CC3CC2(C(=O)[O-])C3)CC1 ZINC001599753961 1017623301 /nfs/dbraw/zinc/62/33/01/1017623301.db2.gz ISMHKAOIQRJHFB-UHFFFAOYSA-N -1 0 316.379 -0.266 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(C(=O)NCCCCC(=O)[O-])C1 ZINC001599759382 1017625106 /nfs/dbraw/zinc/62/51/06/1017625106.db2.gz RGMJJGPNHZOYEB-SNVBAGLBSA-N -1 0 321.399 -0.178 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)c2cc(C(=O)[O-])on2)CC1 ZINC001599758244 1017625723 /nfs/dbraw/zinc/62/57/23/1017625723.db2.gz UCUIZJWQGPCRHA-UHFFFAOYSA-N -1 0 317.323 -0.473 20 0 DBADRM CC/C=C(/C)C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001498117231 1017626626 /nfs/dbraw/zinc/62/66/26/1017626626.db2.gz YWYWNNZNKRLLBD-YWEYNIOJSA-N -1 0 309.326 -0.627 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)/C=C/[C@@H]1CCCO1)C(=O)[O-] ZINC001599763246 1017626931 /nfs/dbraw/zinc/62/69/31/1017626931.db2.gz WZEPVDSBBQEOKO-LWTSYOEOSA-N -1 0 317.363 -0.274 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001599759440 1017626977 /nfs/dbraw/zinc/62/69/77/1017626977.db2.gz ULWDVDDPJIHAJV-NSHDSACASA-N -1 0 316.335 -0.427 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599761257 1017627143 /nfs/dbraw/zinc/62/71/43/1017627143.db2.gz QAMFMXHIJDMJSY-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001599760140 1017627447 /nfs/dbraw/zinc/62/74/47/1017627447.db2.gz DKJFDICKGIJNMZ-SFYZADRCSA-N -1 0 309.413 -0.747 20 0 DBADRM CS(=O)(=O)NCc1ccccc1NC(=O)COCC(=O)[O-] ZINC001599761464 1017627481 /nfs/dbraw/zinc/62/74/81/1017627481.db2.gz PHXPRFKDPOYTLO-UHFFFAOYSA-N -1 0 316.335 -0.225 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1cc(C=O)c[nH]1)C(=O)[O-] ZINC001599762881 1017627491 /nfs/dbraw/zinc/62/74/91/1017627491.db2.gz KMTLCIKLVKSIBV-JOYOIKCWSA-N -1 0 314.319 -0.555 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])o1 ZINC001599760645 1017627558 /nfs/dbraw/zinc/62/75/58/1017627558.db2.gz DAAGHHXGIAJAJR-VXNVDRBHSA-N -1 0 316.335 -0.221 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C[C@@H]1CCOC1)C(=O)[O-] ZINC001599762670 1017627603 /nfs/dbraw/zinc/62/76/03/1017627603.db2.gz IOKSMJDZKATQNB-HOTUBEGUSA-N -1 0 305.352 -0.583 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CC[C@@H]1CCOC1)C(=O)[O-] ZINC001599762924 1017627900 /nfs/dbraw/zinc/62/79/00/1017627900.db2.gz MWQCMEYKZMQGDW-GBIKHYSHSA-N -1 0 319.379 -0.193 20 0 DBADRM CS(=O)(=O)NCCCOC(=O)c1cnc(C(=O)[O-])cn1 ZINC001599760777 1017627916 /nfs/dbraw/zinc/62/79/16/1017627916.db2.gz KORQDYHJGYIJQP-UHFFFAOYSA-N -1 0 303.296 -0.729 20 0 DBADRM CS(=O)(=O)c1nnc(CN2CCN(CC(=O)[O-])CC2)s1 ZINC001599774802 1017628789 /nfs/dbraw/zinc/62/87/89/1017628789.db2.gz CFHXELHLGJGFHI-UHFFFAOYSA-N -1 0 320.396 -0.856 20 0 DBADRM CS(=O)(=O)c1ccc(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)o1 ZINC001599769749 1017629524 /nfs/dbraw/zinc/62/95/24/1017629524.db2.gz BZOFKOZLXVHUDM-RKDXNWHRSA-N -1 0 303.336 -0.050 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)o1 ZINC001599767757 1017630038 /nfs/dbraw/zinc/63/00/38/1017630038.db2.gz YNROXJVOFJEUTO-MRVPVSSYSA-N -1 0 317.319 -0.001 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N2CC(O)(C(=O)[O-])C2)ccc1F ZINC001599764267 1017630139 /nfs/dbraw/zinc/63/01/39/1017630139.db2.gz QJBSMKNCVLXIDD-UHFFFAOYSA-N -1 0 317.294 -0.499 20 0 DBADRM CS(C)(=O)=NC(=O)CN1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599779169 1017631377 /nfs/dbraw/zinc/63/13/77/1017631377.db2.gz GWJNBMNHQGAKAF-MRVPVSSYSA-N -1 0 315.355 -0.523 20 0 DBADRM CSC1(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC001599784295 1017631559 /nfs/dbraw/zinc/63/15/59/1017631559.db2.gz QSWCYHYCVYKOOE-MRVPVSSYSA-N -1 0 302.352 -0.690 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001599775995 1017631812 /nfs/dbraw/zinc/63/18/12/1017631812.db2.gz DEOCXMAEYRPCDO-CHNSCGDPSA-N -1 0 318.395 -0.416 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001599776349 1017632029 /nfs/dbraw/zinc/63/20/29/1017632029.db2.gz FXCNQGHXSNUTSQ-NRFANRHFSA-N -1 0 316.310 -0.043 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001599775998 1017632051 /nfs/dbraw/zinc/63/20/51/1017632051.db2.gz DEOCXMAEYRPCDO-UZJPJQLHSA-N -1 0 318.395 -0.416 20 0 DBADRM C[S@@](=O)C1(CNC(=O)C(=O)NCCCCC(=O)[O-])CCC1 ZINC001599775250 1017632093 /nfs/dbraw/zinc/63/20/93/1017632093.db2.gz KRIOAFBWYURMMK-OAQYLSRUSA-N -1 0 318.395 -0.225 20 0 DBADRM CS[C@H](C)CNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001599783734 1017632355 /nfs/dbraw/zinc/63/23/55/1017632355.db2.gz PQAUMZXQRCNYMH-IWSPIJDZSA-N -1 0 304.368 -0.852 20 0 DBADRM CSCCCCNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599799984 1017633933 /nfs/dbraw/zinc/63/39/33/1017633933.db2.gz VKSULYPQMXFEPX-SNVBAGLBSA-N -1 0 318.395 -0.052 20 0 DBADRM CSc1c(C(=O)NCCC(=O)NCCC(=O)[O-])cnn1C ZINC001599805510 1017634760 /nfs/dbraw/zinc/63/47/60/1017634760.db2.gz ZDWMAROQUFRXDH-UHFFFAOYSA-N -1 0 314.367 -0.147 20 0 DBADRM C[C@@H](CO)N(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001599836150 1017636677 /nfs/dbraw/zinc/63/66/77/1017636677.db2.gz BMTXKEPYFOCWKV-JOYOIKCWSA-N -1 0 322.317 -0.296 20 0 DBADRM C[C@@H](NC(=O)COCC(=O)[O-])C(=O)NCCc1ccccc1 ZINC001599838420 1017637003 /nfs/dbraw/zinc/63/70/03/1017637003.db2.gz RDVNBJOASLADLE-LLVKDONJSA-N -1 0 308.334 -0.049 20 0 DBADRM C[C@@H](NC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O)C(=O)[O-] ZINC001599837650 1017637178 /nfs/dbraw/zinc/63/71/78/1017637178.db2.gz LDBHANNGZPWLLY-RFAUZJTJSA-N -1 0 306.318 -0.017 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001599836390 1017637182 /nfs/dbraw/zinc/63/71/82/1017637182.db2.gz IZJDBEHZFSSKIF-CBAPKCEASA-N -1 0 307.310 -0.630 20 0 DBADRM C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC001599838435 1017637513 /nfs/dbraw/zinc/63/75/13/1017637513.db2.gz UDPHFDIEUCZPIX-NXEZZACHSA-N -1 0 324.341 -0.966 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cn(C)nc1-c1cnn(C)c1)C(=O)[O-] ZINC001599846073 1017638436 /nfs/dbraw/zinc/63/84/36/1017638436.db2.gz RBVKAKOQRRPXOW-XCBNKYQSSA-N -1 0 307.310 -0.616 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CF)C(=O)[O-] ZINC001599843408 1017638749 /nfs/dbraw/zinc/63/87/49/1017638749.db2.gz GTSABJAKVQFWAP-CSMHCCOUSA-N -1 0 308.306 -0.201 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-] ZINC001599843502 1017638791 /nfs/dbraw/zinc/63/87/91/1017638791.db2.gz HTGMFNLPPZWEKS-UCROKIRRSA-N -1 0 301.217 -0.717 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CCn1cc(Br)cn1)C(=O)[O-] ZINC001599843348 1017639254 /nfs/dbraw/zinc/63/92/54/1017639254.db2.gz CEIDYCYCASFPCH-MUWHJKNJSA-N -1 0 320.143 -0.014 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CSCC(=O)N1CCCCC1)C(=O)[O-] ZINC001599843829 1017639383 /nfs/dbraw/zinc/63/93/83/1017639383.db2.gz OTUWNVXJNWSQGE-SKDRFNHKSA-N -1 0 318.395 -0.318 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CN1CCc2ccccc2C1=O)C(=O)[O-] ZINC001599843347 1017639445 /nfs/dbraw/zinc/63/94/45/1017639445.db2.gz CAKBFYNRVHSWGJ-RNCFNFMXSA-N -1 0 306.318 -0.365 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2nccn2C)C[C@@H](C(=O)[O-])O1 ZINC001599848051 1017639723 /nfs/dbraw/zinc/63/97/23/1017639723.db2.gz PDGOERDNXLQNEQ-ZJUUUORDSA-N -1 0 324.337 -0.921 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(O)C2)C[C@H]1CC(=O)[O-] ZINC001599849771 1017641443 /nfs/dbraw/zinc/64/14/43/1017641443.db2.gz SQCUGANRMUOSOK-UEKVPHQBSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccoc2)C[C@@H](C(=O)[O-])O1 ZINC001599848107 1017641634 /nfs/dbraw/zinc/64/16/34/1017641634.db2.gz PQDPEWBAKFLSQB-KOLCDFICSA-N -1 0 310.306 -0.062 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2nccn2C)C[C@H]1CC(=O)[O-] ZINC001599850154 1017641767 /nfs/dbraw/zinc/64/17/67/1017641767.db2.gz MMFIYSIHHAHOGV-NXEZZACHSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@@H]1CN(C(=O)CNC(=O)c2cccc(O)c2)C[C@@H](C(=O)[O-])O1 ZINC001599853305 1017643890 /nfs/dbraw/zinc/64/38/90/1017643890.db2.gz GRVVMBQXNNZMJN-SKDRFNHKSA-N -1 0 322.317 -0.178 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCSCC2)C[C@@H](C(=O)[O-])O1 ZINC001599850793 1017643967 /nfs/dbraw/zinc/64/39/67/1017643967.db2.gz QJAOSNQINGETIG-BDAKNGLRSA-N -1 0 302.352 -0.738 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCc3c[nH]nc3C2)C[C@H]1CC(=O)[O-] ZINC001599851186 1017643989 /nfs/dbraw/zinc/64/39/89/1017643989.db2.gz YETBDPGJCNWUCR-MWLCHTKSSA-N -1 0 320.349 -0.136 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])co2)C[C@H]1CS(N)(=O)=O ZINC001599862836 1017645201 /nfs/dbraw/zinc/64/52/01/1017645201.db2.gz JBYVSVDTKHRACZ-APPZFPTMSA-N -1 0 316.335 -0.026 20 0 DBADRM C[C@@H]1CN(C(=O)Nc2c(C(=O)[O-])cnn2C)CCS1(=O)=O ZINC001599859126 1017645325 /nfs/dbraw/zinc/64/53/25/1017645325.db2.gz OJGQDWGQQYXEQQ-SSDOTTSWSA-N -1 0 316.339 -0.231 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCc2ncn(C)n2)C[C@@H](C(=O)[O-])O1 ZINC001599858540 1017645351 /nfs/dbraw/zinc/64/53/51/1017645351.db2.gz KXKQWKULORMUCP-ZJUUUORDSA-N -1 0 311.342 -0.369 20 0 DBADRM C[C@@H]1CN(C(=O)NCc2nnc3n2CCC3)C[C@@H](C(=O)[O-])O1 ZINC001599858729 1017645676 /nfs/dbraw/zinc/64/56/76/1017645676.db2.gz VDPAIBRWMPJIQT-BDAKNGLRSA-N -1 0 309.326 -0.392 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])[nH]2)CCN1S(C)(=O)=O ZINC001599863172 1017646304 /nfs/dbraw/zinc/64/63/04/1017646304.db2.gz VKHHDHVDWUEIJI-MRVPVSSYSA-N -1 0 315.351 -0.181 20 0 DBADRM C[C@@H]1CN(c2nnnn2CCOCC(F)F)C[C@@H](C(=O)[O-])O1 ZINC001599872282 1017647411 /nfs/dbraw/zinc/64/74/11/1017647411.db2.gz UUFCMRVLQPAFRY-SFYZADRCSA-N -1 0 321.284 -0.367 20 0 DBADRM C[C@@H]1CN(c2nnc(CN3CCC(O)CC3)n2C)C[C@H]1C(=O)[O-] ZINC001599870847 1017647519 /nfs/dbraw/zinc/64/75/19/1017647519.db2.gz XIHAUDKUXDIWRM-ZYHUDNBSSA-N -1 0 323.397 -0.071 20 0 DBADRM C[C@@H]1CN(c2nnnn2C[C@@]2(C)CCCO2)C[C@@H](C(=O)[O-])O1 ZINC001599872239 1017647780 /nfs/dbraw/zinc/64/77/80/1017647780.db2.gz SVBXNNGYLXPGQF-GBIKHYSHSA-N -1 0 311.342 -0.080 20 0 DBADRM C[C@@H]1CN(c2nccnc2C(=O)[O-])CCN1S(C)(=O)=O ZINC001599868677 1017648497 /nfs/dbraw/zinc/64/84/97/1017648497.db2.gz FMBYBQVFSUSRLB-MRVPVSSYSA-N -1 0 300.340 -0.355 20 0 DBADRM C[C@@H]1CN(c2ccc(C(=O)[O-])nn2)C[C@H]1CS(N)(=O)=O ZINC001599868216 1017648627 /nfs/dbraw/zinc/64/86/27/1017648627.db2.gz NIRASTSDQDTZTD-SFYZADRCSA-N -1 0 300.340 -0.464 20 0 DBADRM C[C@@H]1CN(c2nnnn2CCc2ccn(C)n2)C[C@H]1C(=O)[O-] ZINC001599871557 1017648728 /nfs/dbraw/zinc/64/87/28/1017648728.db2.gz MNTVSRXMWAVLQU-MWLCHTKSSA-N -1 0 305.342 -0.194 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC[C@H](CO)[C@H]2CCOC2)O[C@H]1C(=O)[O-] ZINC001599874474 1017650273 /nfs/dbraw/zinc/65/02/73/1017650273.db2.gz DTJSDGXBBSCKSI-IYKVGLELSA-N -1 0 301.339 -0.374 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCc3c(=O)[nH]n(C)c3C2)O[C@H]1C(=O)[O-] ZINC001599874043 1017650309 /nfs/dbraw/zinc/65/03/09/1017650309.db2.gz QYYNZJOWSDCRLE-AVPPRXQKSA-N -1 0 309.322 -0.111 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC2CN(c3ccncn3)C2)O[C@H]1C(=O)[O-] ZINC001599874842 1017650710 /nfs/dbraw/zinc/65/07/10/1017650710.db2.gz NLXMUVCKYCZCRN-HLUHBDAQSA-N -1 0 306.322 -0.340 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC[C@@H](CO)[C@@H]2CCOC2)O[C@H]1C(=O)[O-] ZINC001599874481 1017650717 /nfs/dbraw/zinc/65/07/17/1017650717.db2.gz DTJSDGXBBSCKSI-RMPHRYRLSA-N -1 0 301.339 -0.374 20 0 DBADRM C[C@@H]1C[C@H](C(=O)OCC(=O)N2CCOCC2)O[C@H]1C(=O)[O-] ZINC001599878959 1017651502 /nfs/dbraw/zinc/65/15/02/1017651502.db2.gz OBZRYPQSTOFJBH-FXPVBKGRSA-N -1 0 301.295 -0.733 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001599878006 1017651642 /nfs/dbraw/zinc/65/16/42/1017651642.db2.gz YABZCDHNGTZAFB-CKYFFXLPSA-N -1 0 311.338 -0.438 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccnc(S(N)(=O)=O)c1 ZINC001599883309 1017651793 /nfs/dbraw/zinc/65/17/93/1017651793.db2.gz AXXGLYGBNIUSMC-LBPRGKRZSA-N -1 0 313.335 -0.192 20 0 DBADRM C[C@@H]1C[C@]1(C(=O)NCC(=O)NCC(=O)[O-])C(=O)OC(C)(C)C ZINC001599880559 1017651896 /nfs/dbraw/zinc/65/18/96/1017651896.db2.gz TUIVFVCRGQHRND-CLAHSXSESA-N -1 0 314.338 -0.329 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)c1ccc(=O)[nH]n1 ZINC001599890973 1017652257 /nfs/dbraw/zinc/65/22/57/1017652257.db2.gz FZYAATYNFHLTSS-SSDOTTSWSA-N -1 0 318.293 -0.099 20 0 DBADRM C[C@H](C(=O)NC[C@@H](O)CC(=O)[O-])N1Cc2ccccc2C1=O ZINC001599885359 1017653154 /nfs/dbraw/zinc/65/31/54/1017653154.db2.gz DRPPDOBBAKJBMS-KOLCDFICSA-N -1 0 306.318 -0.017 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001599880981 1017653166 /nfs/dbraw/zinc/65/31/66/1017653166.db2.gz NWHGDMMDOBNBNI-FCHSOHFDSA-N -1 0 320.349 -0.112 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)[O-] ZINC001599895568 1017654189 /nfs/dbraw/zinc/65/41/89/1017654189.db2.gz XULDZOTVPSSPFH-KWBADKCTSA-N -1 0 319.361 -0.205 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCn2cncc2C1)C(=O)[O-] ZINC001599895003 1017654330 /nfs/dbraw/zinc/65/43/30/1017654330.db2.gz DIIVFAKIVYJIEL-LPEHRKFASA-N -1 0 308.338 -0.461 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)COCc1ccnn1C)C(=O)[O-] ZINC001599896317 1017654678 /nfs/dbraw/zinc/65/46/78/1017654678.db2.gz VDBMJSCGVRAZHV-IUCAKERBSA-N -1 0 312.326 -0.969 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)CCCCc1c[nH]nn1)C(=O)[O-] ZINC001599896587 1017655092 /nfs/dbraw/zinc/65/50/92/1017655092.db2.gz YCNSZDBOBVZNCO-IUCAKERBSA-N -1 0 311.342 -0.389 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H](CO)CC1CC1)C(=O)[O-] ZINC001599895998 1017655296 /nfs/dbraw/zinc/65/52/96/1017655296.db2.gz FPWZKLZSJQMHJK-OYNCUSHFSA-N -1 0 301.343 -0.576 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H]1CCC[C@@H]1CCO)C(=O)[O-] ZINC001599897338 1017656538 /nfs/dbraw/zinc/65/65/38/1017656538.db2.gz YVEZCROZAXPBRJ-MMWGEVLESA-N -1 0 315.370 -0.186 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N(C)Cc1cnccn1)C(=O)[O-] ZINC001599897406 1017656878 /nfs/dbraw/zinc/65/68/78/1017656878.db2.gz DZLKRVHTFHEBEC-IUCAKERBSA-N -1 0 309.326 -0.404 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@H]1CC[C@@H](O)C1)C(=O)[O-] ZINC001599896958 1017657122 /nfs/dbraw/zinc/65/71/22/1017657122.db2.gz RNOZPLBLTYJFIW-AATLWQCWSA-N -1 0 301.343 -0.576 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@@H](CO)CC1CC1)C(=O)[O-] ZINC001599897100 1017657145 /nfs/dbraw/zinc/65/71/45/1017657145.db2.gz UWTBOCMILXPBOF-QXEWZRGKSA-N -1 0 315.370 -0.328 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC[C@@]1(C)CO)C(=O)[O-] ZINC001599898004 1017657165 /nfs/dbraw/zinc/65/71/65/1017657165.db2.gz RCQOVJRMCSVWDD-RVBZMBCESA-N -1 0 301.343 -0.479 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCC[C@H](O)C1CC1)C(=O)[O-] ZINC001599898640 1017657284 /nfs/dbraw/zinc/65/72/84/1017657284.db2.gz ZGISIHGBSGEVSX-NRPADANISA-N -1 0 301.343 -0.576 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@H]1CCCC[C@@H]1O)C(=O)[O-] ZINC001599897382 1017657365 /nfs/dbraw/zinc/65/73/65/1017657365.db2.gz FDLHFOCRQIBGPP-MMWGEVLESA-N -1 0 315.370 -0.186 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2nncn2C)C[C@]1(C)C(=O)[O-] ZINC001599908652 1017658777 /nfs/dbraw/zinc/65/87/77/1017658777.db2.gz ALLOHJTVRIBHRH-XPTSAGLGSA-N -1 0 323.353 -0.657 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)Nc1cnn(CCF)c1)C(=O)[O-] ZINC001599899959 1017658863 /nfs/dbraw/zinc/65/88/63/1017658863.db2.gz WGPLWHJVSBXLJD-YUMQZZPRSA-N -1 0 315.305 -0.048 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001599902912 1017659332 /nfs/dbraw/zinc/65/93/32/1017659332.db2.gz PXOBTRPPGXYHOZ-DTWKUNHWSA-N -1 0 321.293 -0.741 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1ccnc2c1nnn2C)C(=O)[O-] ZINC001599900043 1017659587 /nfs/dbraw/zinc/65/95/87/1017659587.db2.gz WDYYUIQQHSRNIE-BQBZGAKWSA-N -1 0 320.309 -0.929 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](F)C2)C[C@@H](C(=O)[O-])O1 ZINC001599909870 1017661213 /nfs/dbraw/zinc/66/12/13/1017661213.db2.gz AMQHYSXBATUGKS-GUBZILKMSA-N -1 0 302.302 -0.353 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1 ZINC001599909345 1017661267 /nfs/dbraw/zinc/66/12/67/1017661267.db2.gz XSNKVXNLXVCGDZ-KKOKHZNYSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CC2(C)COC2)C[C@@H](C(=O)[O-])O1 ZINC001599909467 1017661375 /nfs/dbraw/zinc/66/13/75/1017661375.db2.gz SQGVKCKLTBHEQT-UWVGGRQHSA-N -1 0 314.338 -0.818 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CCO)CC[C@H]1C(=O)[O-] ZINC001599909849 1017661641 /nfs/dbraw/zinc/66/16/41/1017661641.db2.gz AAAPDQQQEANXSZ-QJPTWQEYSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@]23CCOC3)C[C@]1(C)C(=O)[O-] ZINC001599909995 1017661678 /nfs/dbraw/zinc/66/16/78/1017661678.db2.gz FTZGRPQJVKRBAX-NZVBXONLSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599913567 1017662553 /nfs/dbraw/zinc/66/25/53/1017662553.db2.gz SAWPEARYOWVRDG-PKFCDNJMSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@H]1CN(C(=O)CC2SC(=N)NC2=O)C[C@@H](C(=O)[O-])O1 ZINC001599916250 1017662755 /nfs/dbraw/zinc/66/27/55/1017662755.db2.gz UCKKKKWHIAJXGT-ACZMJKKPSA-N -1 0 301.324 -0.757 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccn(C)c2=O)C[C@]1(C)C(=O)[O-] ZINC001599913042 1017663758 /nfs/dbraw/zinc/66/37/58/1017663758.db2.gz AZKVNTRMOYJBGY-VFZGTOFNSA-N -1 0 321.333 -0.107 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]3C2)C[C@@H](C(=O)[O-])O1 ZINC001599911238 1017663946 /nfs/dbraw/zinc/66/39/46/1017663946.db2.gz WICKIGZPFBHTMZ-YFKTTZPYSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCN(C3CC3)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599916383 1017663995 /nfs/dbraw/zinc/66/39/95/1017663995.db2.gz BRYUWVIDPIUHIK-ONGXEEELSA-N -1 0 311.338 -0.413 20 0 DBADRM C[C@H]1CN(C(=O)Nc2ccc(C(N)=O)nc2)C[C@@H](C(=O)[O-])O1 ZINC001599922477 1017664923 /nfs/dbraw/zinc/66/49/23/1017664923.db2.gz HJDRNEYCQLICFK-XVKPBYJWSA-N -1 0 308.294 -0.114 20 0 DBADRM C[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599918774 1017665176 /nfs/dbraw/zinc/66/51/76/1017665176.db2.gz PSSYHAAKMQDGCC-YIZRAAEISA-N -1 0 313.310 -0.983 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2CC(C(N)=O)=NO2)C[C@]1(C)C(=O)[O-] ZINC001599920403 1017665781 /nfs/dbraw/zinc/66/57/81/1017665781.db2.gz RWIAXAHQBAVBEM-DAROEXNTSA-N -1 0 312.326 -0.631 20 0 DBADRM C[C@H]1CN(CC(=O)N2CCOC[C@H]2C2CC2)C[C@@H](C(=O)[O-])O1 ZINC001599927578 1017666000 /nfs/dbraw/zinc/66/60/00/1017666000.db2.gz DWTQAQATROFXQK-DRZSPHRISA-N -1 0 312.366 -0.202 20 0 DBADRM C[C@H]1CN(C(=O)NCCc2nnc3n2CCC3)C[C@@H](C(=O)[O-])O1 ZINC001599921058 1017666209 /nfs/dbraw/zinc/66/62/09/1017666209.db2.gz IIMNJQSMWWHJAZ-UWVGGRQHSA-N -1 0 323.353 -0.350 20 0 DBADRM C[C@H]1CN(C(=O)Cn2ncn3nccc3c2=O)C[C@]1(C)C(=O)[O-] ZINC001599917150 1017666360 /nfs/dbraw/zinc/66/63/60/1017666360.db2.gz GFTAMJBDNAIEIQ-XPTSAGLGSA-N -1 0 319.321 -0.540 20 0 DBADRM C[C@H]1CN(C(=O)c2cccc(-n3cncn3)n2)C[C@@H](C(=O)[O-])O1 ZINC001599925598 1017666396 /nfs/dbraw/zinc/66/63/96/1017666396.db2.gz UEHFEOOVPVMNDL-ONGXEEELSA-N -1 0 317.305 -0.024 20 0 DBADRM C[C@H]1CN(C(=O)c2c[nH]c(C(=O)[O-])c2)CCN1S(C)(=O)=O ZINC001599923750 1017666525 /nfs/dbraw/zinc/66/65/25/1017666525.db2.gz YKKQNOSAAKYFAE-QMMMGPOBSA-N -1 0 315.351 -0.181 20 0 DBADRM C[C@H]1CN([C@H]2CCCN(CCC(=O)[O-])C2=O)CCS1(=O)=O ZINC001599927314 1017666571 /nfs/dbraw/zinc/66/65/71/1017666571.db2.gz SPDFFIAQZRGVHW-QWRGUYRKSA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CC(C)(C)C(=O)[O-])C[C@H](C)N1CCO ZINC001599930734 1017667478 /nfs/dbraw/zinc/66/74/78/1017667478.db2.gz WBHSJVGEVGNJOF-PHIMTYICSA-N -1 0 322.427 -0.186 20 0 DBADRM C[C@H]1CN([C@@H]2CCN(C3CCOCC3)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599927665 1017667782 /nfs/dbraw/zinc/66/77/82/1017667782.db2.gz ZNLJDBLSGWEESP-UHTWSYAYSA-N -1 0 312.366 -0.060 20 0 DBADRM C[C@H]1CN(CC(=O)NC(=O)NC(C)(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599928186 1017668211 /nfs/dbraw/zinc/66/82/11/1017668211.db2.gz WOVDMONLNSTPAJ-IUCAKERBSA-N -1 0 301.343 -0.215 20 0 DBADRM C[C@H]1CN(c2ccnc(C(=O)[O-])n2)CCN1S(C)(=O)=O ZINC001599932197 1017668400 /nfs/dbraw/zinc/66/84/00/1017668400.db2.gz XMPGCULGSSJVDC-QMMMGPOBSA-N -1 0 300.340 -0.355 20 0 DBADRM C[C@H]1CN(c2nnc(-c3ncccn3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599932072 1017669122 /nfs/dbraw/zinc/66/91/22/1017669122.db2.gz YIHZSRDYJHSQNY-IUCAKERBSA-N -1 0 304.310 -0.050 20 0 DBADRM C[C@H]1CN(c2nnc(-c3cccnn3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599931801 1017669437 /nfs/dbraw/zinc/66/94/37/1017669437.db2.gz OGENOAYBYJBPFU-WPRPVWTQSA-N -1 0 304.310 -0.050 20 0 DBADRM Cc1nc[nH]c1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001599967327 1017670403 /nfs/dbraw/zinc/67/04/03/1017670403.db2.gz CBTYMRAXZJJAMM-RKDXNWHRSA-N -1 0 306.322 -0.183 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001599959050 1017670485 /nfs/dbraw/zinc/67/04/85/1017670485.db2.gz ODPTYYWURFFOKN-JTQLQIEISA-N -1 0 320.305 -0.560 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001599940326 1017671190 /nfs/dbraw/zinc/67/11/90/1017671190.db2.gz GGZSTHPQCJWDDB-RKDXNWHRSA-N -1 0 322.321 -0.573 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001599954759 1017671360 /nfs/dbraw/zinc/67/13/60/1017671360.db2.gz VWGIZKCCYGGQKQ-QMMMGPOBSA-N -1 0 320.305 -0.294 20 0 DBADRM Cc1nc[nH]c1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001599967537 1017672084 /nfs/dbraw/zinc/67/20/84/1017672084.db2.gz IKWGTMJZXFQQEJ-QMMMGPOBSA-N -1 0 301.324 -0.568 20 0 DBADRM Cc1nc2nc[nH]n2c(=O)c1CCOC(=O)[C@@H](C)CC(=O)[O-] ZINC001599967142 1017672183 /nfs/dbraw/zinc/67/21/83/1017672183.db2.gz WQXZAMBLLZQCSI-ZETCQYMHSA-N -1 0 308.294 -0.077 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599940005 1017672382 /nfs/dbraw/zinc/67/23/82/1017672382.db2.gz BJAKVXCAIZIFEY-WCBMZHEXSA-N -1 0 311.294 -0.513 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001599967845 1017673262 /nfs/dbraw/zinc/67/32/62/1017673262.db2.gz CSQAHYVJLZSVKY-LVUHIJSRSA-N -1 0 320.349 -0.230 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC/C=C/CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001599967846 1017673702 /nfs/dbraw/zinc/67/37/02/1017673702.db2.gz CSQAHYVJLZSVKY-NTYHVHHESA-N -1 0 320.349 -0.230 20 0 DBADRM Cc1n[nH]cc1C(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599969517 1017673983 /nfs/dbraw/zinc/67/39/83/1017673983.db2.gz YNOZMOWBNXQFEI-VHSXEESVSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1nc[nH]c1CC(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599968065 1017674217 /nfs/dbraw/zinc/67/42/17/1017674217.db2.gz JDRNQQRTHFIPSK-WDEREUQCSA-N -1 0 320.349 -0.444 20 0 DBADRM Cc1c(C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nnn1C ZINC001599974982 1017674540 /nfs/dbraw/zinc/67/45/40/1017674540.db2.gz DLCNKMHYNSRQHF-VHSXEESVSA-N -1 0 321.337 -0.968 20 0 DBADRM Cc1c(C(=O)NCCOCC(=O)[O-])cnn1-c1ccc(=O)[nH]n1 ZINC001599979766 1017674842 /nfs/dbraw/zinc/67/48/42/1017674842.db2.gz AGMJCUGHOMRMLM-UHFFFAOYSA-N -1 0 321.293 -0.493 20 0 DBADRM Cc1nc[nH]c1CC(=O)NCC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599968063 1017675170 /nfs/dbraw/zinc/67/51/70/1017675170.db2.gz JDRNQQRTHFIPSK-MNOVXSKESA-N -1 0 320.349 -0.444 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)N2CC[C@H](NC(N)=O)C2)n1C ZINC001599991697 1017676080 /nfs/dbraw/zinc/67/60/80/1017676080.db2.gz OSZYNFNIYRBZBF-VIFPVBQESA-N -1 0 323.353 -0.016 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)C(=O)NC[C@H]2CCOC2)n1C ZINC001599986927 1017676113 /nfs/dbraw/zinc/67/61/13/1017676113.db2.gz DYDOWFXDTINAAA-SNVBAGLBSA-N -1 0 323.349 -0.199 20 0 DBADRM Cc1c(C(=O)[O-])csc1NC(=O)C(=O)NC(CO)CO ZINC001600000175 1017676130 /nfs/dbraw/zinc/67/61/30/1017676130.db2.gz HBDSAYFSDJUQTM-UHFFFAOYSA-N -1 0 302.308 -0.837 20 0 DBADRM Cc1c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cnn1C ZINC001599983185 1017676256 /nfs/dbraw/zinc/67/62/56/1017676256.db2.gz DJWHWQTVKBILRQ-VLEAKVRGSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1c(C(=O)NCCOCC(=O)[O-])cccc1S(N)(=O)=O ZINC001599980855 1017676511 /nfs/dbraw/zinc/67/65/11/1017676511.db2.gz VYAQSVKPKSJZPT-UHFFFAOYSA-N -1 0 316.335 -0.527 20 0 DBADRM Cc1c(C(=O)[O-])cc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C ZINC001599984761 1017676673 /nfs/dbraw/zinc/67/66/73/1017676673.db2.gz BNWYVNQJLYQDJF-LLVKDONJSA-N -1 0 320.349 -0.826 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNS(=O)(=O)N2CCOCC2)n1C ZINC001599993997 1017677073 /nfs/dbraw/zinc/67/70/73/1017677073.db2.gz MPANOAGHUIBACN-UHFFFAOYSA-N -1 0 317.367 -0.302 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC[C@H](O)C2)cnn1CC(=O)[O-] ZINC001600025332 1017678178 /nfs/dbraw/zinc/67/81/78/1017678178.db2.gz GKSQLUQYBPTJIH-VIFPVBQESA-N -1 0 310.310 -0.802 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@]2(C)CCOC2)cnn1CC(=O)[O-] ZINC001600027356 1017678363 /nfs/dbraw/zinc/67/83/63/1017678363.db2.gz QTUHYYQTDUHUGJ-AWEZNQCLSA-N -1 0 324.337 -0.243 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@H]2CCOC2)cnn1CC(=O)[O-] ZINC001600026010 1017678433 /nfs/dbraw/zinc/67/84/33/1017678433.db2.gz FTSUAHCSNKCVTQ-SECBINFHSA-N -1 0 310.310 -0.633 20 0 DBADRM Cc1c(CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cnn1C ZINC001600011659 1017678740 /nfs/dbraw/zinc/67/87/40/1017678740.db2.gz LNCDJKKMDCQMPA-YUMQZZPRSA-N -1 0 311.342 -0.494 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@H](C)OC[C@H]2C)cnn1CC(=O)[O-] ZINC001600026065 1017678530 /nfs/dbraw/zinc/67/85/30/1017678530.db2.gz ZOJRELNJFAPZFQ-BDAKNGLRSA-N -1 0 324.337 -0.150 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@@H](C)[C@@H]2CO)cnn1CC(=O)[O-] ZINC001600025892 1017678781 /nfs/dbraw/zinc/67/87/81/1017678781.db2.gz JOLUTUWOVBBSJF-KCJUWKMLSA-N -1 0 324.337 -0.556 20 0 DBADRM Cc1c(Cl)c(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])nn1C ZINC001600013103 1017678856 /nfs/dbraw/zinc/67/88/56/1017678856.db2.gz OEQCZOGKROJGKB-ZETCQYMHSA-N -1 0 314.729 -0.251 20 0 DBADRM Cc1c(CC(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])cnn1C ZINC001600011856 1017678929 /nfs/dbraw/zinc/67/89/29/1017678929.db2.gz SUYCMSRQZFOGQE-VXGBXAGGSA-N -1 0 322.365 -0.434 20 0 DBADRM Cc1c(NC(=O)CS(=O)(=O)N(C)C)cnn1CC(=O)[O-] ZINC001600035813 1017679955 /nfs/dbraw/zinc/67/99/55/1017679955.db2.gz QOOQHSZMEDZJEW-UHFFFAOYSA-N -1 0 304.328 -0.894 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@H]2CC[C@H](O)C2)cnn1CC(=O)[O-] ZINC001600028179 1017680152 /nfs/dbraw/zinc/68/01/52/1017680152.db2.gz ZYOZTSIMCGTFTD-UWVGGRQHSA-N -1 0 324.337 -0.508 20 0 DBADRM Cc1cc(=O)c(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c[nH]1 ZINC001600065230 1017681611 /nfs/dbraw/zinc/68/16/11/1017681611.db2.gz DSLOWIJIEBSYKF-VHSXEESVSA-N -1 0 319.317 -0.655 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600060978 1017681836 /nfs/dbraw/zinc/68/18/36/1017681836.db2.gz SGTUJKSRFBDAKU-ZYUZMQFOSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1cc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)ncc1C(N)=O ZINC001600080050 1017681864 /nfs/dbraw/zinc/68/18/64/1017681864.db2.gz MBGIUNDJPQFRLU-LBPRGKRZSA-N -1 0 321.333 -0.213 20 0 DBADRM Cc1cc(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n(C)n1 ZINC001600077525 1017681878 /nfs/dbraw/zinc/68/18/78/1017681878.db2.gz OAJVCMHGODGFKC-WDEREUQCSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001600060110 1017682164 /nfs/dbraw/zinc/68/21/64/1017682164.db2.gz GJOXPRIRTCSEIP-ZJUUUORDSA-N -1 0 323.349 -0.182 20 0 DBADRM Cc1c[nH]c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001600060796 1017682207 /nfs/dbraw/zinc/68/22/07/1017682207.db2.gz PMFVLRWFIXFXSI-OGBGREFGSA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1cc(=O)c(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cn1C ZINC001600066336 1017682275 /nfs/dbraw/zinc/68/22/75/1017682275.db2.gz BKJBMUHFFLFFMY-SNVBAGLBSA-N -1 0 307.306 -0.939 20 0 DBADRM Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600061056 1017682294 /nfs/dbraw/zinc/68/22/94/1017682294.db2.gz WTLGALLERRONFA-UWVGGRQHSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)on1 ZINC001600079808 1017682529 /nfs/dbraw/zinc/68/25/29/1017682529.db2.gz AFAOVCAUXHXHFD-NXEZZACHSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1cc(C(=O)NC[C@H](O)CC(=O)[O-])c2c(=O)[nH]n(C)c2n1 ZINC001600091994 1017683483 /nfs/dbraw/zinc/68/34/83/1017683483.db2.gz MFDGUXQJYDTCLO-SSDOTTSWSA-N -1 0 308.294 -0.452 20 0 DBADRM Cc1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1C ZINC001600081530 1017683563 /nfs/dbraw/zinc/68/35/63/1017683563.db2.gz XJNOAWLZZZFPET-MNOVXSKESA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)ncc1C(N)=O ZINC001600081423 1017683749 /nfs/dbraw/zinc/68/37/49/1017683749.db2.gz VGJJRYOAGXSDDJ-RKDXNWHRSA-N -1 0 307.306 -0.603 20 0 DBADRM Cc1cc(C(=O)NCC2(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)ncn1 ZINC001600093389 1017683908 /nfs/dbraw/zinc/68/39/08/1017683908.db2.gz ZEZQVONLPXCCGZ-UWVGGRQHSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1cc(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)on1 ZINC001600094293 1017684001 /nfs/dbraw/zinc/68/40/01/1017684001.db2.gz WIZQEIBYHCKFRH-GZMMTYOYSA-N -1 0 302.308 -0.399 20 0 DBADRM Cc1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n(C)n1 ZINC001600093676 1017684057 /nfs/dbraw/zinc/68/40/57/1017684057.db2.gz OCPOCVOAKKYTBJ-WDEREUQCSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1cc(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)ncc1C(N)=O ZINC001600084218 1017684223 /nfs/dbraw/zinc/68/42/23/1017684223.db2.gz PHGKNAGQFSXELA-KWQFWETISA-N -1 0 307.306 -0.197 20 0 DBADRM Cc1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cnn1 ZINC001600093153 1017684328 /nfs/dbraw/zinc/68/43/28/1017684328.db2.gz IROIDBIGFSPPNA-GHMZBOCLSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](O)C(N)=O)cc(C)c1OCC(=O)[O-] ZINC001600092086 1017684363 /nfs/dbraw/zinc/68/43/63/1017684363.db2.gz PSUDZYOKGGJGOD-SNVBAGLBSA-N -1 0 310.306 -0.657 20 0 DBADRM Cc1cc(C(=O)NC[C@H](O)CN2CCCC2=O)oc1C(=O)[O-] ZINC001600091552 1017684446 /nfs/dbraw/zinc/68/44/46/1017684446.db2.gz AXDRBXVXNNBMCB-VIFPVBQESA-N -1 0 310.306 -0.001 20 0 DBADRM Cc1cc(C(=O)NCC[C@H](O)C(=O)[O-])c2c(=O)[nH]n(C)c2n1 ZINC001600092859 1017684463 /nfs/dbraw/zinc/68/44/63/1017684463.db2.gz ILNNNXSTZTZWJM-QMMMGPOBSA-N -1 0 308.294 -0.452 20 0 DBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCCC(N)=O)c1F ZINC001600113960 1017685228 /nfs/dbraw/zinc/68/52/28/1017685228.db2.gz JKMDCAHRAHPHIL-UHFFFAOYSA-N -1 0 304.299 -0.014 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2CCN3CCOC[C@@]3(CO)C2)n1 ZINC001600125940 1017685238 /nfs/dbraw/zinc/68/52/38/1017685238.db2.gz FXXPPDOCDMYYOH-AWEZNQCLSA-N -1 0 308.338 -0.633 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001600130552 1017685258 /nfs/dbraw/zinc/68/52/58/1017685258.db2.gz JEGIZIJNSOZSID-SSDOTTSWSA-N -1 0 307.262 -0.338 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N[C@H]1CCNC1=O ZINC001600119287 1017685700 /nfs/dbraw/zinc/68/57/00/1017685700.db2.gz XVQINZIFDVNVHG-JTQLQIEISA-N -1 0 305.290 -0.364 20 0 DBADRM Cc1cc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)c2cnn(C)c2n1 ZINC001600098961 1017685566 /nfs/dbraw/zinc/68/55/66/1017685566.db2.gz IEHXEWQBWIVHPS-XZWHAEGMSA-N -1 0 304.306 -0.015 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)n1 ZINC001600126643 1017685764 /nfs/dbraw/zinc/68/57/64/1017685764.db2.gz FLTJSCLLHBOVCJ-KBPBESRZSA-N -1 0 304.306 -0.028 20 0 DBADRM Cc1cc(C)n(CC(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600179402 1017686895 /nfs/dbraw/zinc/68/68/95/1017686895.db2.gz ZMDWXFXJMWLDCW-MNOVXSKESA-N -1 0 308.338 -0.547 20 0 DBADRM Cc1cc(CCN2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)nn1C ZINC001600187844 1017687126 /nfs/dbraw/zinc/68/71/26/1017687126.db2.gz IVIRIXQTCNXIAK-MXWKQRLJSA-N -1 0 306.322 -0.088 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c(=O)n1 ZINC001600178554 1017687259 /nfs/dbraw/zinc/68/72/59/1017687259.db2.gz ZNJJQWKLOZUCHC-ZYHUDNBSSA-N -1 0 309.322 -0.703 20 0 DBADRM Cc1cc(CC(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)no1 ZINC001600187248 1017687840 /nfs/dbraw/zinc/68/78/40/1017687840.db2.gz BJVZRVVGTNXVMA-NWDGAFQWSA-N -1 0 321.333 -0.179 20 0 DBADRM Cc1cc(C[C@@H](C)NC(=O)NCCn2cc(C(=O)[O-])nn2)[nH]n1 ZINC001600188186 1017688044 /nfs/dbraw/zinc/68/80/44/1017688044.db2.gz CDZVRVQNRNZBKT-MRVPVSSYSA-N -1 0 321.341 -0.062 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])no1 ZINC001600215400 1017689609 /nfs/dbraw/zinc/68/96/09/1017689609.db2.gz DAXRINBYVLIISY-ZJUUUORDSA-N -1 0 304.324 -0.277 20 0 DBADRM Cc1cc(F)ccc1-n1cc(C(=O)N2CC(O)(C(=O)[O-])C2)nn1 ZINC001600232116 1017689991 /nfs/dbraw/zinc/68/99/91/1017689991.db2.gz PTLAIQVVRIOIMR-UHFFFAOYSA-N -1 0 320.280 -0.014 20 0 DBADRM Cc1cc(CNS(=O)(=O)c2cnnn2C)oc1C(=O)[O-] ZINC001600210256 1017690005 /nfs/dbraw/zinc/69/00/05/1017690005.db2.gz MSVRSEJGPVTGFT-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM Cc1cc(CNCc2cn(C)c(=O)n(C)c2=O)oc1C(=O)[O-] ZINC001600209445 1017690029 /nfs/dbraw/zinc/69/00/29/1017690029.db2.gz IEFTYIHAPUSUIA-UHFFFAOYSA-N -1 0 307.306 -0.027 20 0 DBADRM Cc1cc(CS(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)no1 ZINC001600215945 1017690312 /nfs/dbraw/zinc/69/03/12/1017690312.db2.gz QOSUJOQBOMLIMR-LLVKDONJSA-N -1 0 304.324 -0.106 20 0 DBADRM Cc1cc(CNCCN(CCO)C(=O)[C@@H]2C[C@H]2C(=O)[O-])nn1C ZINC001600205437 1017690515 /nfs/dbraw/zinc/69/05/15/1017690515.db2.gz KHRVOLWRGBUQEL-CHWSQXEVSA-N -1 0 324.381 -0.640 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC(=O)N[C@H](C)C2)c(C(=O)[O-])[nH]1 ZINC001600242085 1017691221 /nfs/dbraw/zinc/69/12/21/1017691221.db2.gz WJKAUDCPFYKMEH-SSDOTTSWSA-N -1 0 308.294 -0.693 20 0 DBADRM Cc1cc(N2CC[C@@H](N3CC[C@](O)(C(=O)[O-])C3)C2=O)n(C)n1 ZINC001600237663 1017691353 /nfs/dbraw/zinc/69/13/53/1017691353.db2.gz DJPLCJCQTFTPCE-QMTHXVAHSA-N -1 0 308.338 -0.645 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)no1 ZINC001600244725 1017691574 /nfs/dbraw/zinc/69/15/74/1017691574.db2.gz WOVNDUDXVKQRTG-UHFFFAOYSA-N -1 0 320.265 -0.705 20 0 DBADRM Cc1cc(N2CC[C@@H](CC(N)=O)C2)n2nc(C(=O)[O-])nc2n1 ZINC001600237644 1017691809 /nfs/dbraw/zinc/69/18/09/1017691809.db2.gz DEGMYPSINPGKHC-QMMMGPOBSA-N -1 0 304.310 -0.167 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])n(C)n1 ZINC001600242832 1017692119 /nfs/dbraw/zinc/69/21/19/1017692119.db2.gz FDOVPFBQHAUVTR-SCZZXKLOSA-N -1 0 310.310 -0.896 20 0 DBADRM Cc1cc(N2CC[C@]3(CNC(=O)C3)C2)n2nc(C(=O)[O-])nc2n1 ZINC001600240070 1017692221 /nfs/dbraw/zinc/69/22/21/1017692221.db2.gz OFVIABJBNZSEHA-AWEZNQCLSA-N -1 0 316.321 -0.153 20 0 DBADRM Cc1cc(N2CCC(O)(CO)CC2)n2nc(C(=O)[O-])nc2n1 ZINC001600238755 1017692251 /nfs/dbraw/zinc/69/22/51/1017692251.db2.gz IAADJSSGNYITPM-UHFFFAOYSA-N -1 0 307.310 -0.545 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCOCC(=O)[O-])ccc1C(N)=O ZINC001600248035 1017693782 /nfs/dbraw/zinc/69/37/82/1017693782.db2.gz RNNWFNZBOVADMA-UHFFFAOYSA-N -1 0 323.305 -0.750 20 0 DBADRM Cc1cc(NC(=O)CN(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])no1 ZINC001600254662 1017694468 /nfs/dbraw/zinc/69/44/68/1017694468.db2.gz DFMWIOYSBVQURL-VHSXEESVSA-N -1 0 324.337 -0.310 20 0 DBADRM Cc1cc(S(=O)(=O)N2C[C@H](O)C[C@H](O)C2)ccc1C(=O)[O-] ZINC001600296222 1017695411 /nfs/dbraw/zinc/69/54/11/1017695411.db2.gz SBISQXXUGJSCRA-AOOOYVTPSA-N -1 0 315.347 -0.191 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCC[C@@](O)(CO)C2)oc1C(=O)[O-] ZINC001600294760 1017696279 /nfs/dbraw/zinc/69/62/79/1017696279.db2.gz OGARJOWUMRISAY-LBPRGKRZSA-N -1 0 319.335 -0.206 20 0 DBADRM Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001600336370 1017697255 /nfs/dbraw/zinc/69/72/55/1017697255.db2.gz LMPSQYWRVMVFSI-NXEZZACHSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)o1 ZINC001600416369 1017697401 /nfs/dbraw/zinc/69/74/01/1017697401.db2.gz ZJVBLBXXLXEBED-NSHDSACASA-N -1 0 310.306 -0.094 20 0 DBADRM Cc1ccc([C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C(=O)[O-])cc1 ZINC001600375933 1017697676 /nfs/dbraw/zinc/69/76/76/1017697676.db2.gz ANTGAMLEWWZPSE-QWRGUYRKSA-N -1 0 319.317 -0.122 20 0 DBADRM Cc1ccc([C@H](NC(=O)CN2CCNC(=O)C2)C(=O)[O-])cc1C ZINC001600383500 1017697751 /nfs/dbraw/zinc/69/77/51/1017697751.db2.gz ZBBGOXPRFSLOKP-HNNXBMFYSA-N -1 0 319.361 -0.023 20 0 DBADRM Cc1ccc(CNC(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC001600416774 1017697990 /nfs/dbraw/zinc/69/79/90/1017697990.db2.gz HJIYFKGNJIMDLO-MFKMUULPSA-N -1 0 323.349 -0.256 20 0 DBADRM Cc1ccc([C@@H](NC(=O)CN2CCNC(=O)C2)C(=O)[O-])cc1C ZINC001600383502 1017698012 /nfs/dbraw/zinc/69/80/12/1017698012.db2.gz ZBBGOXPRFSLOKP-OAHLLOKOSA-N -1 0 319.361 -0.023 20 0 DBADRM Cc1ccc(C(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c(=O)[nH]1 ZINC001600340071 1017698242 /nfs/dbraw/zinc/69/82/42/1017698242.db2.gz BFYDCZYLQHOCFY-UWVGGRQHSA-N -1 0 307.306 -0.338 20 0 DBADRM Cc1ccc(C(=O)NCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])nn1 ZINC001600340542 1017698293 /nfs/dbraw/zinc/69/82/93/1017698293.db2.gz IDMQPNZCKGBHBM-VHSXEESVSA-N -1 0 306.322 -0.306 20 0 DBADRM Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@](C)(CO)C(=O)[O-])c1 ZINC001600484353 1017699482 /nfs/dbraw/zinc/69/94/82/1017699482.db2.gz XERJKRUWKHBOEV-GFCCVEGCSA-N -1 0 316.335 -0.792 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001600439831 1017699985 /nfs/dbraw/zinc/69/99/85/1017699985.db2.gz PYWYNFYDCMBUIK-WDEREUQCSA-N -1 0 307.306 -0.235 20 0 DBADRM Cc1ccc(CNC(=O)NCC(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC001600417309 1017700219 /nfs/dbraw/zinc/70/02/19/1017700219.db2.gz YHDZXXNLUWBDAR-NSHDSACASA-N -1 0 309.322 -0.644 20 0 DBADRM Cc1ccccc1CCNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600579756 1017700970 /nfs/dbraw/zinc/70/09/70/1017700970.db2.gz KXEHMEHWFOCDJP-UHFFFAOYSA-N -1 0 306.318 -0.688 20 0 DBADRM Cc1cccc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)c1C(=O)[O-] ZINC001600548399 1017701101 /nfs/dbraw/zinc/70/11/01/1017701101.db2.gz WPJRNYHYDDFRQH-VHSXEESVSA-N -1 0 315.347 -0.333 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)N[C@@H](CCF)C(=O)[O-])c(=O)c1 ZINC001600595653 1017701337 /nfs/dbraw/zinc/70/13/37/1017701337.db2.gz SCXBXOCGCACXFE-HZMBPMFUSA-N -1 0 314.313 -0.163 20 0 DBADRM Cc1ccn([C@@H](C)CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC001600594961 1017701710 /nfs/dbraw/zinc/70/17/10/1017701710.db2.gz XGRBLJZDRHNUME-WDEREUQCSA-N -1 0 308.338 -0.056 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001600595564 1017702190 /nfs/dbraw/zinc/70/21/90/1017702190.db2.gz IBNRKWVXMUWWAC-ZJUUUORDSA-N -1 0 309.322 -0.007 20 0 DBADRM Cc1cccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c1C(=O)[O-] ZINC001600550416 1017702326 /nfs/dbraw/zinc/70/23/26/1017702326.db2.gz GJAKWYGYTHHEIC-IUCAKERBSA-N -1 0 301.320 -0.581 20 0 DBADRM Cc1ccnc2nc(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])nn21 ZINC001600603147 1017702754 /nfs/dbraw/zinc/70/27/54/1017702754.db2.gz BYVHHPGYPLGQJB-RKDXNWHRSA-N -1 0 305.294 -0.348 20 0 DBADRM Cc1cn(C)nc1C(=O)NCCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600611285 1017702778 /nfs/dbraw/zinc/70/27/78/1017702778.db2.gz FDLXMRAMZKORML-ZJUUUORDSA-N -1 0 308.338 -0.315 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)N1CC(O)(C(=O)[O-])C1)c2=O ZINC001600598621 1017702850 /nfs/dbraw/zinc/70/28/50/1017702850.db2.gz NYUDVGCVZUVAJY-UHFFFAOYSA-N -1 0 303.274 -0.726 20 0 DBADRM Cc1ccnc(CNCCN(CCO)C(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600600857 1017703013 /nfs/dbraw/zinc/70/30/13/1017703013.db2.gz GHSKHRPVIIXVEK-RYUDHWBXSA-N -1 0 322.365 -0.584 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600611206 1017703171 /nfs/dbraw/zinc/70/31/71/1017703171.db2.gz BLNZIOFXNJYMHD-GWOFURMSSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1ccnc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600597935 1017703340 /nfs/dbraw/zinc/70/33/40/1017703340.db2.gz CULSWFVXEBWMNG-GHMZBOCLSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1ccnn1CC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600608053 1017704014 /nfs/dbraw/zinc/70/40/14/1017704014.db2.gz VGQGCPUVBLWYBM-VXGBXAGGSA-N -1 0 320.349 -0.419 20 0 DBADRM Cc1cnc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])cn1 ZINC001600621077 1017704670 /nfs/dbraw/zinc/70/46/70/1017704670.db2.gz VYPNDRMPTPAGJY-QWRGUYRKSA-N -1 0 319.321 -0.636 20 0 DBADRM Cc1cnc(CN2CC(O)(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001600620791 1017705238 /nfs/dbraw/zinc/70/52/38/1017705238.db2.gz RLHHICCICYCTQM-UWVGGRQHSA-N -1 0 309.322 -0.633 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@H](CCF)C(=O)[O-] ZINC001600625523 1017705252 /nfs/dbraw/zinc/70/52/52/1017705252.db2.gz GPIKJJSCEAIEGX-SSDOTTSWSA-N -1 0 319.314 -0.269 20 0 DBADRM Cc1cn2ccnc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])c2n1 ZINC001600614844 1017705296 /nfs/dbraw/zinc/70/52/96/1017705296.db2.gz IWZPVVANKVTJSF-SECBINFHSA-N -1 0 317.305 -0.547 20 0 DBADRM Cc1cnc(F)c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC001600622882 1017705366 /nfs/dbraw/zinc/70/53/66/1017705366.db2.gz BHUJUCYPAYHENJ-VIFPVBQESA-N -1 0 316.310 -0.147 20 0 DBADRM Cc1c[nH]cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1=O ZINC001600626789 1017705488 /nfs/dbraw/zinc/70/54/88/1017705488.db2.gz FDTFPBIFWIODGT-SNVBAGLBSA-N -1 0 307.306 -0.511 20 0 DBADRM Cc1cn2cc(NC(=O)NCC(=O)NCC(=O)[O-])ccc2n1 ZINC001600613659 1017705607 /nfs/dbraw/zinc/70/56/07/1017705607.db2.gz QRVYUUYPFMTFAX-UHFFFAOYSA-N -1 0 305.294 -0.035 20 0 DBADRM Cc1cn2c(ncc(C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])c2=O)s1 ZINC001600613516 1017706037 /nfs/dbraw/zinc/70/60/37/1017706037.db2.gz GHPLOQLEFYEDOQ-APPZFPTMSA-N -1 0 323.330 -0.276 20 0 DBADRM Cc1cnccc1CC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600631191 1017706461 /nfs/dbraw/zinc/70/64/61/1017706461.db2.gz WFDDVCFWBHPAMN-QWHCGFSZSA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1cncn1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600631569 1017706680 /nfs/dbraw/zinc/70/66/80/1017706680.db2.gz CXUUTWRKNUKCTR-USZNOCQGSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1cnccc1CC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600630174 1017707634 /nfs/dbraw/zinc/70/76/34/1017707634.db2.gz PMPVRWCXNWQPNB-OLZOCXBDSA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1cnccc1CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600631187 1017707739 /nfs/dbraw/zinc/70/77/39/1017707739.db2.gz WFDDVCFWBHPAMN-CHWSQXEVSA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1conc1CS(=O)(=O)NCCC(=O)NCCC(=O)[O-] ZINC001600645391 1017708670 /nfs/dbraw/zinc/70/86/70/1017708670.db2.gz JYHSXKJEPKXYEW-UHFFFAOYSA-N -1 0 319.339 -0.617 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NCC1(S(N)(=O)=O)CC1 ZINC001600642839 1017708860 /nfs/dbraw/zinc/70/88/60/1017708860.db2.gz WVMMAZJRWYSJJZ-UHFFFAOYSA-N -1 0 316.335 -0.234 20 0 DBADRM Cc1cocc1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600643302 1017709161 /nfs/dbraw/zinc/70/91/61/1017709161.db2.gz CUKUTGDXJOVSBY-GHMZBOCLSA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1cnoc1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600637093 1017709533 /nfs/dbraw/zinc/70/95/33/1017709533.db2.gz BUUDZIKNHSPJRL-VHSXEESVSA-N -1 0 307.306 -0.012 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC001600643945 1017709729 /nfs/dbraw/zinc/70/97/29/1017709729.db2.gz SGVYHBAPWVKLGR-UHFFFAOYSA-N -1 0 321.289 -0.135 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC001600640000 1017709749 /nfs/dbraw/zinc/70/97/49/1017709749.db2.gz SZTWXZUBCPAFLM-SNVBAGLBSA-N -1 0 324.333 -0.120 20 0 DBADRM Cc1nnc(COCC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])s1 ZINC001600796127 1017732981 /nfs/dbraw/zinc/73/29/81/1017732981.db2.gz DLYCBXRPQMXRPQ-HTQZYQBOSA-N -1 0 301.324 -0.590 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001600669277 1017711153 /nfs/dbraw/zinc/71/11/53/1017711153.db2.gz ZZARRVQHMXOQRN-NSHDSACASA-N -1 0 308.338 -0.239 20 0 DBADRM Cc1nnc(CNC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CCC2)[nH]1 ZINC001600670207 1017712151 /nfs/dbraw/zinc/71/21/51/1017712151.db2.gz CKPTYFUEEQTPST-NXEZZACHSA-N -1 0 307.354 -0.038 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001600671160 1017712238 /nfs/dbraw/zinc/71/22/38/1017712238.db2.gz VOPBVRJVLROSAP-DTWKUNHWSA-N -1 0 303.340 -0.375 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC(n3ccnc3)C2)c1C(=O)[O-] ZINC001600670221 1017712333 /nfs/dbraw/zinc/71/23/33/1017712333.db2.gz OYYTUMIOYGRKSX-UHFFFAOYSA-N -1 0 311.323 -0.142 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CO[C@@H]1CCOC1 ZINC001498282664 1017713506 /nfs/dbraw/zinc/71/35/06/1017713506.db2.gz VFZYHBWJNYIDBZ-NXEZZACHSA-N -1 0 313.358 -0.748 20 0 DBADRM Cc1nc(SCC(=O)N2CCC(O)(C(=O)[O-])CC2)n[nH]1 ZINC001600674247 1017713765 /nfs/dbraw/zinc/71/37/65/1017713765.db2.gz FKVIEGWWQNHPCE-UHFFFAOYSA-N -1 0 300.340 -0.357 20 0 DBADRM Cc1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C(=O)[O-])[nH]1 ZINC001600671692 1017714393 /nfs/dbraw/zinc/71/43/93/1017714393.db2.gz VBRGHUVULHJGRX-OMHSBUABSA-N -1 0 305.338 -0.620 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]1 ZINC001600671529 1017714553 /nfs/dbraw/zinc/71/45/53/1017714553.db2.gz MASSPFVPCSSMII-RGOKHQFPSA-N -1 0 321.337 -0.860 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCC(=O)OC(C)C)c1C(=O)[O-] ZINC001600673692 1017714852 /nfs/dbraw/zinc/71/48/52/1017714852.db2.gz UHRMDECYUFUXPP-UHFFFAOYSA-N -1 0 305.312 -0.354 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCC[C@H](C)[S@@](C)=O)c1C(=O)[O-] ZINC001600673747 1017715051 /nfs/dbraw/zinc/71/50/51/1017715051.db2.gz MTXJDAXIUIBSRI-INMOSUBGSA-N -1 0 323.396 -0.148 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001498287950 1017715001 /nfs/dbraw/zinc/71/50/01/1017715001.db2.gz ZZZUXSUZNIBDJT-LKFCYVNXSA-N -1 0 311.386 -0.002 20 0 DBADRM Cc1nc(N2CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CC2)n[nH]1 ZINC001600671987 1017715068 /nfs/dbraw/zinc/71/50/68/1017715068.db2.gz LRWPXHRWWBFAKE-LBPRGKRZSA-N -1 0 324.385 -0.539 20 0 DBADRM Cc1nc(C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)co1 ZINC001600682526 1017716049 /nfs/dbraw/zinc/71/60/49/1017716049.db2.gz FUXPSIDYZYYFJF-VHSXEESVSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1nc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)co1 ZINC001600682347 1017716402 /nfs/dbraw/zinc/71/64/02/1017716402.db2.gz JHNIZIYHKPNBBT-NXEZZACHSA-N -1 0 307.306 -0.012 20 0 DBADRM Cc1nn[nH]c1C(=O)NCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001600675449 1017716760 /nfs/dbraw/zinc/71/67/60/1017716760.db2.gz AFOFMKBEZWFNBI-UHFFFAOYSA-N -1 0 305.298 -0.532 20 0 DBADRM Cc1nc(C(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])co1 ZINC001600682073 1017716801 /nfs/dbraw/zinc/71/68/01/1017716801.db2.gz HUGVRLCPHIAZQW-CBAPKCEASA-N -1 0 322.277 -0.797 20 0 DBADRM Cc1ncc(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)[nH]1 ZINC001600684032 1017717256 /nfs/dbraw/zinc/71/72/56/1017717256.db2.gz OUFNRWQYRWIBTD-UHFFFAOYSA-N -1 0 304.310 -0.140 20 0 DBADRM Cc1nn[nH]c1C(=O)NCC=CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600675828 1017717278 /nfs/dbraw/zinc/71/72/78/1017717278.db2.gz RVRMWOWRTXKVMJ-BNEREYBLSA-N -1 0 307.310 -0.764 20 0 DBADRM Cc1nn[nH]c1C(=O)NCCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001600675771 1017717337 /nfs/dbraw/zinc/71/73/37/1017717337.db2.gz PPLWTSZDGDWZFS-IUCAKERBSA-N -1 0 309.326 -0.588 20 0 DBADRM Cc1nc(C(=O)NCCC(=O)NCCC(=O)[O-])c(=O)[nH]c1C ZINC001600683447 1017717514 /nfs/dbraw/zinc/71/75/14/1017717514.db2.gz BXYXNKNXGFPVOL-UHFFFAOYSA-N -1 0 310.310 -0.490 20 0 DBADRM Cc1nc(Cn2nnnc2N2CCO[C@H](C(=O)[O-])C2)cs1 ZINC001600708314 1017718106 /nfs/dbraw/zinc/71/81/06/1017718106.db2.gz AXKPDWWAHMHGGT-VIFPVBQESA-N -1 0 310.339 -0.224 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])nn2)no1 ZINC001600706563 1017718388 /nfs/dbraw/zinc/71/83/88/1017718388.db2.gz GTFHULHLAMXRDA-CBAPKCEASA-N -1 0 324.272 -0.345 20 0 DBADRM Cc1nc(C)c(CC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c(=O)[nH]1 ZINC001600691130 1017718469 /nfs/dbraw/zinc/71/84/69/1017718469.db2.gz QKBGJHGTAYDDPV-PWSUYJOCSA-N -1 0 309.322 -0.222 20 0 DBADRM Cc1nc(NC(=O)C(=O)NCC2(C(=O)[O-])CCCC2)nn1C ZINC001600710528 1017718638 /nfs/dbraw/zinc/71/86/38/1017718638.db2.gz FSCLUIVDTLNZRD-UHFFFAOYSA-N -1 0 309.326 -0.177 20 0 DBADRM Cc1nnc(C2CN(S(=O)(=O)c3cc(C(=O)[O-])[nH]n3)C2)[nH]1 ZINC001600694494 1017718659 /nfs/dbraw/zinc/71/86/59/1017718659.db2.gz IGGSKRQMNKRNOG-UHFFFAOYSA-N -1 0 312.311 -0.677 20 0 DBADRM Cc1nc(NC(=O)C(=O)NC2(CC(=O)[O-])CCCC2)nn1C ZINC001600710711 1017719101 /nfs/dbraw/zinc/71/91/01/1017719101.db2.gz MWIVSRFEVGDXDZ-UHFFFAOYSA-N -1 0 309.326 -0.034 20 0 DBADRM Cc1nc(N)nc(C)c1C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001600709773 1017719404 /nfs/dbraw/zinc/71/94/04/1017719404.db2.gz UZNNFCLWNMYGGZ-NSHDSACASA-N -1 0 308.338 -0.027 20 0 DBADRM Cc1nnc(CCNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)[nH]1 ZINC001600698988 1017719406 /nfs/dbraw/zinc/71/94/06/1017719406.db2.gz QGXVPSZNIFXITN-SECBINFHSA-N -1 0 309.326 -0.905 20 0 DBADRM Cc1nc(=NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)n(C)[nH]1 ZINC001600717313 1017719575 /nfs/dbraw/zinc/71/95/75/1017719575.db2.gz HPLAECLBILHHPG-UHFFFAOYSA-N -1 0 310.335 -0.027 20 0 DBADRM Cc1nnc(CN2CCN(c3ncc(C(=O)[O-])cn3)CC2)[nH]1 ZINC001600701439 1017719583 /nfs/dbraw/zinc/71/95/83/1017719583.db2.gz UDEKRKMJFBHXQH-UHFFFAOYSA-N -1 0 303.326 -0.076 20 0 DBADRM Cc1ncc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1C ZINC001600733621 1017720083 /nfs/dbraw/zinc/72/00/83/1017720083.db2.gz SPVZBKKINKFTOW-NXEZZACHSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)NOCCCC(=O)[O-] ZINC001600732278 1017720531 /nfs/dbraw/zinc/72/05/31/1017720531.db2.gz RXPSYZSOIKZVQU-UHFFFAOYSA-N -1 0 322.325 -0.222 20 0 DBADRM Cc1ncc(S(=O)(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)n1C ZINC001600746288 1017722245 /nfs/dbraw/zinc/72/22/45/1017722245.db2.gz RXWPDBOVPFPQEM-NXEZZACHSA-N -1 0 317.367 -0.256 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H]2COCC[C@H]2O)cc1C(=O)[O-] ZINC001600747230 1017722297 /nfs/dbraw/zinc/72/22/97/1017722297.db2.gz QRRPRWQWBBBNMQ-GHMZBOCLSA-N -1 0 316.335 -0.484 20 0 DBADRM Cc1ncc(CN2CC(CCO)(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001600736127 1017722370 /nfs/dbraw/zinc/72/23/70/1017722370.db2.gz QFTPRFFIVDHVTE-RYUDHWBXSA-N -1 0 323.349 -0.243 20 0 DBADRM Cc1nccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600748647 1017722662 /nfs/dbraw/zinc/72/26/62/1017722662.db2.gz DHCHMRPKJFOAJI-LMLFDSFASA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1ncc(CC(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)o1 ZINC001600736438 1017722741 /nfs/dbraw/zinc/72/27/41/1017722741.db2.gz OTWIYSALGCOAJC-NWDGAFQWSA-N -1 0 321.333 -0.083 20 0 DBADRM Cc1ncc(CN2CC(O)(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001600736402 1017722943 /nfs/dbraw/zinc/72/29/43/1017722943.db2.gz YWJMKBYQGCNXNW-NWDGAFQWSA-N -1 0 320.349 -0.831 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CN(C)C(=O)[C@H]2C)cc1C(=O)[O-] ZINC001600744903 1017723067 /nfs/dbraw/zinc/72/30/67/1017723067.db2.gz IJMZMMDRODSXMM-MRVPVSSYSA-N -1 0 313.335 -0.103 20 0 DBADRM Cc1ncc(S(=O)(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)n1C ZINC001600746119 1017723139 /nfs/dbraw/zinc/72/31/39/1017723139.db2.gz ZGDLLRNYBLODAV-CBAPKCEASA-N -1 0 303.340 -0.409 20 0 DBADRM Cc1ncccc1NC(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001600753746 1017724311 /nfs/dbraw/zinc/72/43/11/1017724311.db2.gz GKBGAXIGKPSXBI-UHFFFAOYSA-N -1 0 322.321 -0.574 20 0 DBADRM Cc1nccc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1 ZINC001600749993 1017724577 /nfs/dbraw/zinc/72/45/77/1017724577.db2.gz AAIVSZNKKRNYPI-APPZFPTMSA-N -1 0 308.294 -0.576 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001600750570 1017724594 /nfs/dbraw/zinc/72/45/94/1017724594.db2.gz LENNSFXXKJPIFG-UHFFFAOYSA-N -1 0 306.322 -0.276 20 0 DBADRM Cc1ncoc1CN1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001600758084 1017724680 /nfs/dbraw/zinc/72/46/80/1017724680.db2.gz KDRIWKGZDWCESN-IUCAKERBSA-N -1 0 308.294 -0.438 20 0 DBADRM Cc1nccnc1N1CCN([C@@H](C)C(=O)NCC(=O)[O-])CC1 ZINC001600757570 1017724981 /nfs/dbraw/zinc/72/49/81/1017724981.db2.gz SLWJJIRQGBSWBB-NSHDSACASA-N -1 0 307.354 -0.504 20 0 DBADRM Cc1ncoc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600759143 1017725147 /nfs/dbraw/zinc/72/51/47/1017725147.db2.gz UETRUPVKOSFVJK-APLZJWDSSA-N -1 0 319.317 -0.110 20 0 DBADRM Cc1nccn1CC(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001600754644 1017725171 /nfs/dbraw/zinc/72/51/71/1017725171.db2.gz HIPJSEPULKWLKN-SECBINFHSA-N -1 0 318.337 -0.282 20 0 DBADRM Cc1ncoc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600758144 1017725380 /nfs/dbraw/zinc/72/53/80/1017725380.db2.gz AIIDQPJTFBRTQU-ZJUUUORDSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1ncncc1C(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001600757869 1017725550 /nfs/dbraw/zinc/72/55/50/1017725550.db2.gz CIJMKBUIZMUMBD-QMMMGPOBSA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1ncccc1NC(=O)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001600754110 1017725592 /nfs/dbraw/zinc/72/55/92/1017725592.db2.gz ULFLAEKLKHXHCJ-WDEREUQCSA-N -1 0 307.306 -0.235 20 0 DBADRM Cc1nccn1CCNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001600755932 1017725756 /nfs/dbraw/zinc/72/57/56/1017725756.db2.gz AKBBWMWTKINJAP-UHFFFAOYSA-N -1 0 311.342 -0.528 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N[C@H](Cn1ccnc1)C(=O)[O-] ZINC001600770270 1017726140 /nfs/dbraw/zinc/72/61/40/1017726140.db2.gz KXNLBEGYLNCFKD-LLVKDONJSA-N -1 0 321.337 -0.118 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001600768292 1017726435 /nfs/dbraw/zinc/72/64/35/1017726435.db2.gz OQOODZBHNRMNAU-GXSJLCMTSA-N -1 0 309.322 -0.344 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001600770454 1017726599 /nfs/dbraw/zinc/72/65/99/1017726599.db2.gz OCWOJABLUWDCPM-UHFFFAOYSA-N -1 0 322.325 -0.478 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001600770255 1017726716 /nfs/dbraw/zinc/72/67/16/1017726716.db2.gz GCQFHZVHJMURQJ-JTQLQIEISA-N -1 0 324.337 -0.322 20 0 DBADRM Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H](CO)C(=O)[O-])[nH]n1 ZINC001600767972 1017727422 /nfs/dbraw/zinc/72/74/22/1017727422.db2.gz BCXZWWKTVZPPPK-SNVBAGLBSA-N -1 0 307.310 -0.398 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)c1C ZINC001600767112 1017727428 /nfs/dbraw/zinc/72/74/28/1017727428.db2.gz NIJJRXUOUBJPFJ-MNOVXSKESA-N -1 0 323.349 -0.136 20 0 DBADRM Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001600771824 1017727472 /nfs/dbraw/zinc/72/74/72/1017727472.db2.gz XNEPEGXPMQWUER-HNNXBMFYSA-N -1 0 322.365 -0.024 20 0 DBADRM Cc1nn(C)cc1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600775895 1017728064 /nfs/dbraw/zinc/72/80/64/1017728064.db2.gz FGPKGMONRODNLQ-NXEZZACHSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001600772651 1017728196 /nfs/dbraw/zinc/72/81/96/1017728196.db2.gz MSTGGBKMNAOKKN-JTQLQIEISA-N -1 0 323.758 -0.408 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@H](C(=O)NCCOCC(=O)[O-])C1 ZINC001600777233 1017728247 /nfs/dbraw/zinc/72/82/47/1017728247.db2.gz DZZQDQXYDLTSMC-NSHDSACASA-N -1 0 310.310 -0.561 20 0 DBADRM Cc1nn(C)c(F)c1C(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600772677 1017728365 /nfs/dbraw/zinc/72/83/65/1017728365.db2.gz NYMOQLZXPJRIFY-IUCAKERBSA-N -1 0 324.312 -0.471 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)NCc1nc(C(=O)[O-])co1 ZINC001600777871 1017728458 /nfs/dbraw/zinc/72/84/58/1017728458.db2.gz RKNZYMQCHXQGKN-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM Cc1nn(C)cc1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001600775877 1017728878 /nfs/dbraw/zinc/72/88/78/1017728878.db2.gz DUOGYRAOSCYRRP-UHFFFAOYSA-N -1 0 304.310 -0.519 20 0 DBADRM Cc1nn(CC(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)c(=O)n1C ZINC001600781169 1017730059 /nfs/dbraw/zinc/73/00/59/1017730059.db2.gz WPMBCILYAPPQKC-GFCCVEGCSA-N -1 0 320.305 -0.462 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)[nH]1 ZINC001600791958 1017730130 /nfs/dbraw/zinc/73/01/30/1017730130.db2.gz IHSYLAOSLXFDAB-CBAPKCEASA-N -1 0 309.326 -0.386 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)CCS(C)(=O)=O ZINC001600780894 1017730463 /nfs/dbraw/zinc/73/04/63/1017730463.db2.gz JYVCMVGOZFPLBY-UHFFFAOYSA-N -1 0 317.367 -0.365 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)/C=C/C(=O)N(C)C ZINC001600780393 1017730545 /nfs/dbraw/zinc/73/05/45/1017730545.db2.gz BSZSKWOVKFFMIQ-AATRIKPKSA-N -1 0 308.338 -0.155 20 0 DBADRM Cc1nn(CC(=O)N[C@H](C(=O)[O-])c2ccccn2)c(=O)n1C ZINC001600780579 1017730766 /nfs/dbraw/zinc/73/07/66/1017730766.db2.gz KILGEUBLWXSDNF-NSHDSACASA-N -1 0 305.294 -0.773 20 0 DBADRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)CN1C(=O)CNC1=O ZINC001600785147 1017730832 /nfs/dbraw/zinc/73/08/32/1017730832.db2.gz AKXLAWMLTYDWDN-UHFFFAOYSA-N -1 0 323.309 -0.535 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)CN1CCOCC1=O ZINC001600781742 1017730864 /nfs/dbraw/zinc/73/08/64/1017730864.db2.gz ZZNXSJDQRMQSGI-UHFFFAOYSA-N -1 0 324.337 -0.940 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)s1 ZINC001600796415 1017731773 /nfs/dbraw/zinc/73/17/73/1017731773.db2.gz YEXGLJMNAGGHLP-HTRCEHHLSA-N -1 0 312.351 -0.216 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)CC2 ZINC001600799599 1017731981 /nfs/dbraw/zinc/73/19/81/1017731981.db2.gz APBKDGXKOUGMNC-WDEREUQCSA-N -1 0 308.338 -0.149 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)NCCC(=O)NCCC(=O)[O-])[nH]1 ZINC001600793321 1017732250 /nfs/dbraw/zinc/73/22/50/1017732250.db2.gz XPOLCYSPOXCLGJ-SSDOTTSWSA-N -1 0 312.330 -0.546 20 0 DBADRM Cc1nnccc1NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001600802036 1017733794 /nfs/dbraw/zinc/73/37/94/1017733794.db2.gz HZLYQCLKSVRQCA-DTWKUNHWSA-N -1 0 308.294 -0.982 20 0 DBADRM Cc1nnsc1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600802798 1017733891 /nfs/dbraw/zinc/73/38/91/1017733891.db2.gz PAQLMJDSVFBBNV-YUMQZZPRSA-N -1 0 310.335 -0.492 20 0 DBADRM Cc1noc(-c2ccc(C(=O)NCC(=O)NCC(=O)[O-])cc2)n1 ZINC001600802668 1017733919 /nfs/dbraw/zinc/73/39/19/1017733919.db2.gz HZNDIKHFKICMJX-UHFFFAOYSA-N -1 0 318.289 -0.024 20 0 DBADRM Cc1nnccc1NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001600802037 1017734125 /nfs/dbraw/zinc/73/41/25/1017734125.db2.gz HZLYQCLKSVRQCA-IUCAKERBSA-N -1 0 308.294 -0.982 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1 ZINC001600800451 1017734257 /nfs/dbraw/zinc/73/42/57/1017734257.db2.gz IXGJGKNYYKMNLZ-CQSZACIVSA-N -1 0 317.305 -0.368 20 0 DBADRM Cc1nonc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600817658 1017735415 /nfs/dbraw/zinc/73/54/15/1017735415.db2.gz LBOHTCXOAZURLT-BDAKNGLRSA-N -1 0 308.294 -0.713 20 0 DBADRM Cc1nonc1C(=O)N(C)CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001600818747 1017735447 /nfs/dbraw/zinc/73/54/47/1017735447.db2.gz VWEXJZWAYLLVTD-IUCAKERBSA-N -1 0 310.310 -0.323 20 0 DBADRM Cc1nonc1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600817604 1017735457 /nfs/dbraw/zinc/73/54/57/1017735457.db2.gz JALAINBTIZWJJX-ZYUZMQFOSA-N -1 0 322.321 -0.277 20 0 DBADRM Cc1nsc(N2CCN(Cc3cn(CC(=O)[O-])nn3)CC2)n1 ZINC001600819995 1017736091 /nfs/dbraw/zinc/73/60/91/1017736091.db2.gz UUEPCLTYPKCMGE-UHFFFAOYSA-N -1 0 323.382 -0.155 20 0 DBADRM Cc1nonc1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600817659 1017736277 /nfs/dbraw/zinc/73/62/77/1017736277.db2.gz LBOHTCXOAZURLT-DTWKUNHWSA-N -1 0 308.294 -0.713 20 0 DBADRM C[C@H](CN(C)CCF)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001498324805 1017736528 /nfs/dbraw/zinc/73/65/28/1017736528.db2.gz CPYIYHOTDDMDER-MRVPVSSYSA-N -1 0 301.322 -0.379 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H](C)/C=C/C(=O)[O-] ZINC001600857863 1017736813 /nfs/dbraw/zinc/73/68/13/1017736813.db2.gz MAEOMQAGHZYJQY-FCJGRKLLSA-N -1 0 302.308 -0.005 20 0 DBADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCCOCC(=O)[O-] ZINC001600838111 1017736873 /nfs/dbraw/zinc/73/68/73/1017736873.db2.gz CQJQPBCVXHMSRN-UHFFFAOYSA-N -1 0 320.323 -0.625 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC001600834377 1017736879 /nfs/dbraw/zinc/73/68/79/1017736879.db2.gz NVGTUEKHLPBAAK-IUCAKERBSA-N -1 0 319.335 -0.492 20 0 DBADRM Cc1oc(CNC(=O)C(=O)NCc2ccn(C)n2)cc1C(=O)[O-] ZINC001600846557 1017736987 /nfs/dbraw/zinc/73/69/87/1017736987.db2.gz UVTOBQWLYMCVHM-UHFFFAOYSA-N -1 0 320.305 -0.048 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)NCCCN1CCNC(=O)C1 ZINC001600826671 1017737115 /nfs/dbraw/zinc/73/71/15/1017737115.db2.gz UBIQFBPAQQFHGB-UHFFFAOYSA-N -1 0 309.322 -0.162 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)NCCNS(=O)(=O)N(C)C ZINC001600826662 1017737259 /nfs/dbraw/zinc/73/72/59/1017737259.db2.gz SLGNEELGSCPWIQ-UHFFFAOYSA-N -1 0 319.339 -0.588 20 0 DBADRM Cc1oc(C)c(S(=O)(=O)NC2(C(N)=O)CC2)c1C(=O)[O-] ZINC001600839430 1017737418 /nfs/dbraw/zinc/73/74/18/1017737418.db2.gz VDLGCKWOQKUSNY-UHFFFAOYSA-N -1 0 302.308 -0.109 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H]1CCCN(CC(N)=O)C1 ZINC001600825844 1017737440 /nfs/dbraw/zinc/73/74/40/1017737440.db2.gz VJKXTPHERRHKDI-SECBINFHSA-N -1 0 309.322 -0.034 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC1(C(N)=O)CCC1 ZINC001600836567 1017737603 /nfs/dbraw/zinc/73/76/03/1017737603.db2.gz PKFQQMNPVFTMJG-UHFFFAOYSA-N -1 0 302.308 -0.027 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001600824551 1017737701 /nfs/dbraw/zinc/73/77/01/1017737701.db2.gz SLNGEQYPAAWWGO-UHFFFAOYSA-N -1 0 309.278 -0.944 20 0 DBADRM Cc1oc(S(=O)(=O)N2C[C@H](O)[C@H](CO)C2)cc1C(=O)[O-] ZINC001600857407 1017737712 /nfs/dbraw/zinc/73/77/12/1017737712.db2.gz KOFCYZXWELXZEA-CBAPKCEASA-N -1 0 305.308 -0.740 20 0 DBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001600859124 1017738308 /nfs/dbraw/zinc/73/83/08/1017738308.db2.gz LZUNSZWBVAEMAY-ZDUSSCGKSA-N -1 0 309.278 -0.600 20 0 DBADRM Cc1sc(=O)n(CC(=O)OCC(=O)NCCC(=O)[O-])c1C ZINC001600866707 1017738477 /nfs/dbraw/zinc/73/84/77/1017738477.db2.gz TVERFFVJNPGZFE-UHFFFAOYSA-N -1 0 316.335 -0.339 20 0 DBADRM CC/C=C(/C)C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001498330042 1017738536 /nfs/dbraw/zinc/73/85/36/1017738536.db2.gz UEILXSJRIRZBQU-YWEYNIOJSA-N -1 0 309.326 -0.627 20 0 DBADRM Cc1occc1C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001600860476 1017739386 /nfs/dbraw/zinc/73/93/86/1017739386.db2.gz KFZABDYIHGBQKP-WPRPVWTQSA-N -1 0 321.289 -0.192 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001600864190 1017739894 /nfs/dbraw/zinc/73/98/94/1017739894.db2.gz KTKDDUGMVFCLIG-FSPLSTOPSA-N -1 0 305.312 -0.572 20 0 DBADRM Cc1ocnc1C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600861909 1017739919 /nfs/dbraw/zinc/73/99/19/1017739919.db2.gz SQAUBEPYIVSNIT-UWVGGRQHSA-N -1 0 307.306 -0.108 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2ncc(C(=O)[O-])s2)c1=O ZINC001600896519 1017740735 /nfs/dbraw/zinc/74/07/35/1017740735.db2.gz MJODJLWEIYPGOL-UHFFFAOYSA-N -1 0 310.291 -0.660 20 0 DBADRM Cn1c(C(=O)NCCNc2ncc(C(=O)[O-])cn2)c[nH]c1=O ZINC001600900551 1017740853 /nfs/dbraw/zinc/74/08/53/1017740853.db2.gz UMQVEOXOCMFLHS-UHFFFAOYSA-N -1 0 306.282 -0.544 20 0 DBADRM Cn1c(=O)[nH]cc1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001600897868 1017741096 /nfs/dbraw/zinc/74/10/96/1017741096.db2.gz BZPJCAHEBXABEA-AWEZNQCLSA-N -1 0 324.337 -0.873 20 0 DBADRM Cn1c(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)c[nH]c1=O ZINC001600899143 1017741318 /nfs/dbraw/zinc/74/13/18/1017741318.db2.gz XFRPABBLFNKSBP-RKDXNWHRSA-N -1 0 322.321 -0.869 20 0 DBADRM Cn1c(=O)ccn(CC(=O)O[C@H]2C=CC[C@@H](C(=O)[O-])C2)c1=O ZINC001600896079 1017741760 /nfs/dbraw/zinc/74/17/60/1017741760.db2.gz DYNDZYBKYAZHAI-ZJUUUORDSA-N -1 0 308.290 -0.490 20 0 DBADRM Cn1c(CC(=O)N[C@@H](CO)C(=O)[O-])nnc1-c1ccccc1 ZINC001600912297 1017743543 /nfs/dbraw/zinc/74/35/43/1017743543.db2.gz PZRZSWZLARGTJE-JTQLQIEISA-N -1 0 304.306 -0.414 20 0 DBADRM Cn1c(C=O)ccc1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001600912598 1017743955 /nfs/dbraw/zinc/74/39/55/1017743955.db2.gz SDHZHOSOZRVZLI-JTQLQIEISA-N -1 0 307.306 -0.357 20 0 DBADRM Cn1cc(-n2cc(C(=O)N3CC[C@H]3C(=O)[O-])ccc2=O)cn1 ZINC001600927141 1017744869 /nfs/dbraw/zinc/74/48/69/1017744869.db2.gz ZHEBGMSVCRJEGH-NSHDSACASA-N -1 0 302.290 -0.130 20 0 DBADRM Cn1cc(C(=O)CCC(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cn1 ZINC001600927914 1017744977 /nfs/dbraw/zinc/74/49/77/1017744977.db2.gz LBLGAVVCGVVCJZ-AAEUAGOBSA-N -1 0 309.322 -0.181 20 0 DBADRM Cn1cc(C(=O)CCC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001600927759 1017745080 /nfs/dbraw/zinc/74/50/80/1017745080.db2.gz CNWYHZCDFKLOFU-GXSJLCMTSA-N -1 0 309.322 -0.323 20 0 DBADRM Cn1cc(-c2ncccc2C(=O)N2CC(O)(C(=O)[O-])C2)cn1 ZINC001600923800 1017745243 /nfs/dbraw/zinc/74/52/43/1017745243.db2.gz FLSWUCNIXUBUOA-UHFFFAOYSA-N -1 0 302.290 -0.246 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001498351115 1017745266 /nfs/dbraw/zinc/74/52/66/1017745266.db2.gz JNRMPIIEIJYHDD-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM Cn1cc(-c2noc([C@H]3CC[C@@H](C(=O)[O-])O3)n2)c(=O)[nH]c1=O ZINC001600926260 1017745347 /nfs/dbraw/zinc/74/53/47/1017745347.db2.gz ISIDMBCOSHYRJH-RQJHMYQMSA-N -1 0 308.250 -0.159 20 0 DBADRM Cn1cc(C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)nn1 ZINC001600928183 1017745599 /nfs/dbraw/zinc/74/55/99/1017745599.db2.gz GKCOJUGRPBBAMZ-UHFFFAOYSA-N -1 0 305.298 -0.418 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001600921574 1017745624 /nfs/dbraw/zinc/74/56/24/1017745624.db2.gz FNDSPMHZRMIHLU-XPUUQOCRSA-N -1 0 323.758 -0.328 20 0 DBADRM Cn1c(=O)cc(COC(=O)c2ccc(C(=O)[O-])[nH]2)n(C)c1=O ZINC001600919339 1017746116 /nfs/dbraw/zinc/74/61/16/1017746116.db2.gz SANDBVDIQDCCKU-UHFFFAOYSA-N -1 0 307.262 -0.533 20 0 DBADRM Cn1c(=O)cc(COC(=O)c2cccc(C(=O)[O-])n2)n(C)c1=O ZINC001600919301 1017746121 /nfs/dbraw/zinc/74/61/21/1017746121.db2.gz QMZDTZSQEIIVLJ-UHFFFAOYSA-N -1 0 319.273 -0.466 20 0 DBADRM Cn1cc(C(=O)NC/C=C/CNc2ccnc(C(=O)[O-])n2)cn1 ZINC001600929780 1017746535 /nfs/dbraw/zinc/74/65/35/1017746535.db2.gz GFDSLHSUFAPFJU-NSCUHMNNSA-N -1 0 316.321 -0.272 20 0 DBADRM Cn1cc(C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CCC2)cn1 ZINC001600929988 1017746625 /nfs/dbraw/zinc/74/66/25/1017746625.db2.gz LNJVICUJMHBIDJ-WDEREUQCSA-N -1 0 320.349 -0.091 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]c1=O ZINC001600930575 1017747053 /nfs/dbraw/zinc/74/70/53/1017747053.db2.gz XMSUFQYLIUADMI-BGZDPUMWSA-N -1 0 322.321 -0.777 20 0 DBADRM Cn1cc(C(=O)CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)cn1 ZINC001600928868 1017747175 /nfs/dbraw/zinc/74/71/75/1017747175.db2.gz JKWDVUBOEUULGW-UHFFFAOYSA-N -1 0 324.318 -0.326 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)N[C@@H](C(=O)[O-])C1CC1)c2=O ZINC001600929059 1017747462 /nfs/dbraw/zinc/74/74/62/1017747462.db2.gz OUSYNRBCLFODBQ-SNVBAGLBSA-N -1 0 304.306 -0.135 20 0 DBADRM C[C@H]1CC[C@@](NC(=O)c2cn(C)c(=O)n(C)c2=O)(C(=O)[O-])CC1 ZINC001600930602 1017747579 /nfs/dbraw/zinc/74/75/79/1017747579.db2.gz YUGNOOKTXLYDTI-AZKDTHOKSA-N -1 0 323.349 -0.153 20 0 DBADRM Cn1cc(C(=O)NCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C2CC2)nn1 ZINC001600930953 1017747670 /nfs/dbraw/zinc/74/76/70/1017747670.db2.gz WOSDFQLKBSEEFI-ZJUUUORDSA-N -1 0 321.337 -0.743 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@@H](Nc3ncc(C(=O)[O-])cn3)C2)nn1 ZINC001600930261 1017747872 /nfs/dbraw/zinc/74/78/72/1017747872.db2.gz PNOACQGADYJUKX-DTORHVGOSA-N -1 0 317.309 -0.324 20 0 DBADRM Cn1cc(C(=O)NCC(=O)NCC(=O)[O-])c(C(F)(F)F)c1 ZINC001600931171 1017748814 /nfs/dbraw/zinc/74/88/14/1017748814.db2.gz LBGXWVKPKUNTQY-UHFFFAOYSA-N -1 0 307.228 -0.026 20 0 DBADRM Cn1cc(C(=O)NCC(=O)NCC(=O)[O-])c(-c2ccco2)n1 ZINC001600931427 1017749124 /nfs/dbraw/zinc/74/91/24/1017749124.db2.gz RZFALCUECMQCKU-UHFFFAOYSA-N -1 0 306.278 -0.389 20 0 DBADRM Cn1cc([C@@H](O)CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC001600942746 1017749695 /nfs/dbraw/zinc/74/96/95/1017749695.db2.gz OTYCQPXUXBESIR-JTQLQIEISA-N -1 0 314.323 -0.542 20 0 DBADRM Cn1cc(/C=C/C(=O)OCC2(CC(=O)[O-])CC2)c(=O)n(C)c1=O ZINC001600946272 1017749506 /nfs/dbraw/zinc/74/95/06/1017749506.db2.gz PSUOCNAEMXPRDO-ONEGZZNKSA-N -1 0 322.317 -0.105 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CCC(C(N)=O)CC1 ZINC001600940337 1017750316 /nfs/dbraw/zinc/75/03/16/1017750316.db2.gz NZLXHAAXRWPTSY-UHFFFAOYSA-N -1 0 315.351 -0.391 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC001600941600 1017750414 /nfs/dbraw/zinc/75/04/14/1017750414.db2.gz VJEYHAZTEHJGKY-GFCCVEGCSA-N -1 0 315.351 -0.391 20 0 DBADRM Cn1cc(C2=NC[C@H](CN3CCO[C@@H](CC(=O)[O-])C3)O2)cn1 ZINC001600946754 1017751174 /nfs/dbraw/zinc/75/11/74/1017751174.db2.gz UILRMLIDMREULM-NWDGAFQWSA-N -1 0 308.338 -0.259 20 0 DBADRM Cn1cc(CN2CCC3(CN(C(=O)[C@H]4C[C@@H]4C(=O)[O-])C3)C2)nn1 ZINC001600951269 1017751548 /nfs/dbraw/zinc/75/15/48/1017751548.db2.gz GWWYLFNBEHECLG-RYUDHWBXSA-N -1 0 319.365 -0.430 20 0 DBADRM Cn1cc(C[C@H](CO)CNC(=O)Cn2ccc(C(=O)[O-])n2)cn1 ZINC001600949066 1017751599 /nfs/dbraw/zinc/75/15/99/1017751599.db2.gz XFCRTQVXVNBRGC-NSHDSACASA-N -1 0 321.337 -0.718 20 0 DBADRM Cn1cc(CCCNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001600950418 1017751757 /nfs/dbraw/zinc/75/17/57/1017751757.db2.gz UQPNNGMWLNUWOD-RYUDHWBXSA-N -1 0 310.354 -0.170 20 0 DBADRM Cn1cc(CC(=O)NCCNc2ncc(C(=O)[O-])cn2)cn1 ZINC001600948881 1017752060 /nfs/dbraw/zinc/75/20/60/1017752060.db2.gz VKCDUPYFAQMRKF-UHFFFAOYSA-N -1 0 304.310 -0.321 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)C2)cn1 ZINC001600947246 1017752399 /nfs/dbraw/zinc/75/23/99/1017752399.db2.gz VSTVARRXSBLUAE-UISBYWKRSA-N -1 0 322.321 -0.793 20 0 DBADRM Cn1cc(CCC(=O)OCc2noc(CCC(=O)[O-])n2)nn1 ZINC001600947950 1017752543 /nfs/dbraw/zinc/75/25/43/1017752543.db2.gz BHLVRQSVVCYCSA-UHFFFAOYSA-N -1 0 309.282 -0.109 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)C2)cn1 ZINC001600947233 1017752573 /nfs/dbraw/zinc/75/25/73/1017752573.db2.gz VSTVARRXSBLUAE-PEXQALLHSA-N -1 0 322.321 -0.793 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)N[C@]2(CC(=O)[O-])CCCOC2)cn1 ZINC001600946920 1017752833 /nfs/dbraw/zinc/75/28/33/1017752833.db2.gz JBFLUSFOTSTYJV-RISCZKNCSA-N -1 0 311.338 -0.536 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001600946998 1017752974 /nfs/dbraw/zinc/75/29/74/1017752974.db2.gz XLHUKPWFHMGTGF-AFPRHGJPSA-N -1 0 321.333 -0.533 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])nn1 ZINC001600959278 1017754068 /nfs/dbraw/zinc/75/40/68/1017754068.db2.gz QPXQLZVOAKULLJ-QXFUBDJGSA-N -1 0 307.310 -0.535 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])ccc1=O ZINC001600959859 1017754220 /nfs/dbraw/zinc/75/42/20/1017754220.db2.gz VLIYSKLHZNJDRU-UWVGGRQHSA-N -1 0 307.306 -0.307 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)c3c[nH]c(C(=O)[O-])c3)C2=O)cn1 ZINC001600958522 1017754318 /nfs/dbraw/zinc/75/43/18/1017754318.db2.gz LNNUYTZKCRUPAN-SNVBAGLBSA-N -1 0 317.305 -0.018 20 0 DBADRM Cn1cc(N2CCN(CN3C[C@@H](C(=O)[O-])CC3=O)CC2)cn1 ZINC001600958396 1017754433 /nfs/dbraw/zinc/75/44/33/1017754433.db2.gz DKBRIKRDZHYTOX-NSHDSACASA-N -1 0 307.354 -0.567 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)c3c[nH]c(C(=O)[O-])c3)C2=O)cn1 ZINC001600958521 1017754824 /nfs/dbraw/zinc/75/48/24/1017754824.db2.gz LNNUYTZKCRUPAN-JTQLQIEISA-N -1 0 317.305 -0.018 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@@H](CC2CC2)C(=O)[O-])ccc1=O ZINC001600958538 1017754942 /nfs/dbraw/zinc/75/49/42/1017754942.db2.gz HAKFNJWGGHVPCH-SNVBAGLBSA-N -1 0 321.333 -0.059 20 0 DBADRM Cn1cc(CNC(=O)C(=O)N2CCC(CC(=O)[O-])CC2)nn1 ZINC001600953683 1017755347 /nfs/dbraw/zinc/75/53/47/1017755347.db2.gz MCMKUVCHQUIYQS-UHFFFAOYSA-N -1 0 309.326 -0.855 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)CC2=O)cn1 ZINC001600959046 1017755832 /nfs/dbraw/zinc/75/58/32/1017755832.db2.gz NXRNKNYHDVKALF-MNOVXSKESA-N -1 0 322.321 -0.773 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)NC3(C(=O)[O-])CC3)CCC2=O)cn1 ZINC001600962187 1017756154 /nfs/dbraw/zinc/75/61/54/1017756154.db2.gz RDUVJKZXNHRERK-VIFPVBQESA-N -1 0 306.322 -0.104 20 0 DBADRM Cn1cc(NC(=O)NCCC(=O)NCCC(=O)[O-])ccc1=O ZINC001600964955 1017756647 /nfs/dbraw/zinc/75/66/47/1017756647.db2.gz QIEUYHVIUIDQJZ-UHFFFAOYSA-N -1 0 310.310 -0.512 20 0 DBADRM Cn1cc(S(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)nc1Cl ZINC001600967633 1017756889 /nfs/dbraw/zinc/75/68/89/1017756889.db2.gz BUAARIKDNUZWOS-UHFFFAOYSA-N -1 0 323.758 -0.423 20 0 DBADRM Cn1cc(NC(=O)NCC(=O)NCC(=O)[O-])c(C(F)(F)F)n1 ZINC001600965042 1017757211 /nfs/dbraw/zinc/75/72/11/1017757211.db2.gz RTOHPGCALZJJJZ-UHFFFAOYSA-N -1 0 323.231 -0.239 20 0 DBADRM Cn1cc(N2CC[C@@H](N3C(=O)N[C@H](CCC(=O)[O-])C3=O)C2)cn1 ZINC001600962143 1017757913 /nfs/dbraw/zinc/75/79/13/1017757913.db2.gz QGJBLOJBOXOORR-MWLCHTKSSA-N -1 0 321.337 -0.216 20 0 DBADRM Cn1cc(NC(=O)N2CC(O)(C(=O)[O-])C2)c(Br)n1 ZINC001600962843 1017758475 /nfs/dbraw/zinc/75/84/75/1017758475.db2.gz AHOJBKVFPNVBHA-UHFFFAOYSA-N -1 0 319.115 -0.154 20 0 DBADRM Cn1ccc(-c2cn([C@@H]3CCN(CCC(=O)[O-])C3=O)nn2)n1 ZINC001600971754 1017759251 /nfs/dbraw/zinc/75/92/51/1017759251.db2.gz CUHDPPRCKVWJPR-LLVKDONJSA-N -1 0 304.310 -0.073 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001600969320 1017759506 /nfs/dbraw/zinc/75/95/06/1017759506.db2.gz BLMCJOPPZMUIQO-MRVPVSSYSA-N -1 0 313.335 -0.424 20 0 DBADRM Cn1ccc(C(=O)N2CCCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001600971270 1017759654 /nfs/dbraw/zinc/75/96/54/1017759654.db2.gz REGDPSJQTIRRLD-QWRGUYRKSA-N -1 0 320.349 -0.185 20 0 DBADRM Cn1ccc(-c2nc(CNCC(=O)NCC(=O)[O-])cs2)n1 ZINC001600972423 1017759715 /nfs/dbraw/zinc/75/97/15/1017759715.db2.gz ZXZPFGVALDRTKB-UHFFFAOYSA-N -1 0 309.351 -0.166 20 0 DBADRM Cn1ccc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1=O ZINC001600972578 1017760014 /nfs/dbraw/zinc/76/00/14/1017760014.db2.gz KQKMPBXVXKOATC-GHMZBOCLSA-N -1 0 321.333 -0.658 20 0 DBADRM Cn1ccc(C(=O)N2CCCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001600971267 1017760062 /nfs/dbraw/zinc/76/00/62/1017760062.db2.gz REGDPSJQTIRRLD-MNOVXSKESA-N -1 0 320.349 -0.185 20 0 DBADRM Cn1ccc(-n2cc(CN3C[C@H](O)C[C@H](C(=O)[O-])C3)nn2)n1 ZINC001600971903 1017760113 /nfs/dbraw/zinc/76/01/13/1017760113.db2.gz DPDJPCRYQOOTRB-GXSJLCMTSA-N -1 0 306.326 -0.732 20 0 DBADRM Cn1ccc(C(=O)N(CCO)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC001600970933 1017760907 /nfs/dbraw/zinc/76/09/07/1017760907.db2.gz IHPUJIIIXQFVTC-RYUDHWBXSA-N -1 0 323.349 -0.704 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001600970161 1017760997 /nfs/dbraw/zinc/76/09/97/1017760997.db2.gz ZQPFRZNQLAZCPA-MBTKJCJQSA-N -1 0 313.335 -0.925 20 0 DBADRM Cn1cc2c(n1)CCC[C@H]2C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001600971161 1017761066 /nfs/dbraw/zinc/76/10/66/1017761066.db2.gz WOSANMCTFYEFDM-SNVBAGLBSA-N -1 0 322.365 -0.063 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001600969321 1017761249 /nfs/dbraw/zinc/76/12/49/1017761249.db2.gz BLMCJOPPZMUIQO-QMMMGPOBSA-N -1 0 313.335 -0.424 20 0 DBADRM Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cn1 ZINC001600969303 1017761632 /nfs/dbraw/zinc/76/16/32/1017761632.db2.gz ASJYDHBRIQIPJE-QJPTWQEYSA-N -1 0 320.349 -0.285 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)cc1C(=O)[O-] ZINC001600968547 1017761941 /nfs/dbraw/zinc/76/19/41/1017761941.db2.gz OSPKWOZDWHBGSJ-DTWKUNHWSA-N -1 0 300.336 -0.061 20 0 DBADRM Cn1ccc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001600972745 1017764286 /nfs/dbraw/zinc/76/42/86/1017764286.db2.gz UWIKWVMYLAWSAW-HLKOZVMDSA-N -1 0 306.322 -0.457 20 0 DBADRM Cn1ccc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600972747 1017764499 /nfs/dbraw/zinc/76/44/99/1017764499.db2.gz UWIKWVMYLAWSAW-LTFJCZIQSA-N -1 0 306.322 -0.457 20 0 DBADRM Cn1cccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1=O ZINC001600978205 1017764896 /nfs/dbraw/zinc/76/48/96/1017764896.db2.gz ONPMODFSULFOFH-GHMZBOCLSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600975639 1017764949 /nfs/dbraw/zinc/76/49/49/1017764949.db2.gz FWCWFHGJMMCVSH-FHUSYTEZSA-N -1 0 304.350 -0.313 20 0 DBADRM Cn1ccnc1CCC(=O)NCCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600985382 1017767556 /nfs/dbraw/zinc/76/75/56/1017767556.db2.gz JWUZPQZKWLGHET-GHMZBOCLSA-N -1 0 322.365 -0.304 20 0 DBADRM Cn1ccn2c(CN3CC(F)(F)C[C@@H]3C(=O)[O-])nnc2c1=O ZINC001600981334 1017768108 /nfs/dbraw/zinc/76/81/08/1017768108.db2.gz RFKXYPPWEYCRNZ-SSDOTTSWSA-N -1 0 313.264 -0.278 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1cn[nH]n1 ZINC001498386152 1017769062 /nfs/dbraw/zinc/76/90/62/1017769062.db2.gz OKHASZADYADMDU-MRVPVSSYSA-N -1 0 308.346 -0.802 20 0 DBADRM Cn1cccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600978930 1017768736 /nfs/dbraw/zinc/76/87/36/1017768736.db2.gz XXZKURNSVYZSER-YFVNTRNASA-N -1 0 317.345 -0.068 20 0 DBADRM Cn1ccnc1CCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001600985852 1017768982 /nfs/dbraw/zinc/76/89/82/1017768982.db2.gz RAIBOPRXYBFFHU-JTQLQIEISA-N -1 0 308.338 -0.456 20 0 DBADRM Cn1cccc1C(=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600979599 1017769023 /nfs/dbraw/zinc/76/90/23/1017769023.db2.gz PMZBYWIGPFSTQZ-VIFPVBQESA-N -1 0 317.305 -0.029 20 0 DBADRM Cn1cccc(NC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1=O ZINC001600979827 1017769624 /nfs/dbraw/zinc/76/96/24/1017769624.db2.gz ZYLHIRAJGFZYCO-JTQLQIEISA-N -1 0 322.321 -0.418 20 0 DBADRM Cn1ccc([C@@H](NC(=O)CCn2ccccc2=O)C(=O)[O-])n1 ZINC001600989442 1017770002 /nfs/dbraw/zinc/77/00/02/1017770002.db2.gz MOJSQOVNXIYZPL-CYBMUJFWSA-N -1 0 304.306 -0.086 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)cc1=O ZINC001600987618 1017770777 /nfs/dbraw/zinc/77/07/77/1017770777.db2.gz PSROMWKCRQRGIX-VOZQYIJBSA-N -1 0 321.333 -0.078 20 0 DBADRM Cn1ccc([C@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C(=O)[O-])n1 ZINC001600989458 1017770937 /nfs/dbraw/zinc/77/09/37/1017770937.db2.gz MSWSRFMULDHVKY-CPCISQLKSA-N -1 0 304.310 -0.100 20 0 DBADRM Cn1cnc(C(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])cc1=O ZINC001600987437 1017770970 /nfs/dbraw/zinc/77/09/70/1017770970.db2.gz PARLPLFWZOUYSS-GXSJLCMTSA-N -1 0 309.322 -0.220 20 0 DBADRM Cn1cnc(C(=O)N2CCC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001600987220 1017772466 /nfs/dbraw/zinc/77/24/66/1017772466.db2.gz HGSAVCFZPZQOOA-UWVGGRQHSA-N -1 0 321.337 -0.743 20 0 DBADRM Cn1ccc([C@@H](NC(=O)/C=C/CN2CCOCC2)C(=O)[O-])n1 ZINC001600990127 1017772564 /nfs/dbraw/zinc/77/25/64/1017772564.db2.gz OHKQDJJCKCGUEY-YWVDXFKGSA-N -1 0 308.338 -0.450 20 0 DBADRM Cn1cnnc1[C@@H](CO)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001600994843 1017774005 /nfs/dbraw/zinc/77/40/05/1017774005.db2.gz YQHPCLHFFXFWRX-IVZWLZJFSA-N -1 0 312.326 -0.623 20 0 DBADRM Cn1cncc1CCC(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600993408 1017775909 /nfs/dbraw/zinc/77/59/09/1017775909.db2.gz MOGZAVVGNSEOIJ-NEPJUHHUSA-N -1 0 320.349 -0.600 20 0 DBADRM Cn1cnnc1COCC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001600995886 1017778268 /nfs/dbraw/zinc/77/82/68/1017778268.db2.gz LHLUFOIFVUOZGT-LURJTMIESA-N -1 0 310.232 -0.147 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001600995824 1017778926 /nfs/dbraw/zinc/77/89/26/1017778926.db2.gz JZWHYEMOAMFOFR-WDEREUQCSA-N -1 0 307.354 -0.035 20 0 DBADRM Cn1cnn(CC(=O)N2CCCc3nc(C(=O)[O-])ccc32)c1=O ZINC001600996729 1017779713 /nfs/dbraw/zinc/77/97/13/1017779713.db2.gz ZAGAOPUVWDIPIM-UHFFFAOYSA-N -1 0 317.305 -0.346 20 0 DBADRM Cn1nc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1OC(F)F ZINC001600999595 1017781856 /nfs/dbraw/zinc/78/18/56/1017781856.db2.gz QYLMPPYNJYJAQO-IYSWYEEDSA-N -1 0 305.237 -0.319 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)CCC(=O)N1CCOCC1 ZINC001601003025 1017782588 /nfs/dbraw/zinc/78/25/88/1017782588.db2.gz PPFTWFXOFOHNBM-UHFFFAOYSA-N -1 0 310.310 -0.304 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC001601000364 1017782822 /nfs/dbraw/zinc/78/28/22/1017782822.db2.gz BINNIXZMCHJJBL-NRFANRHFSA-N -1 0 315.355 -0.532 20 0 DBADRM Cn1nc(NC(=O)CCC[C@@]2(C)NC(=O)NC2=O)cc1C(=O)[O-] ZINC001601012649 1017783263 /nfs/dbraw/zinc/78/32/63/1017783263.db2.gz BMSNCHKOUJDKGI-CYBMUJFWSA-N -1 0 323.309 -0.175 20 0 DBADRM Cn1nc(C(=O)N[C@](C)(CO)C(=O)[O-])cc1Br ZINC001601012441 1017784206 /nfs/dbraw/zinc/78/42/06/1017784206.db2.gz LNNHNKSIWZRYLI-SECBINFHSA-N -1 0 306.116 -0.252 20 0 DBADRM Cn1ncc(C(=O)NCC2(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CCC2)n1 ZINC001601022089 1017786242 /nfs/dbraw/zinc/78/62/42/1017786242.db2.gz XIIJAQPNILNLSJ-IUCAKERBSA-N -1 0 321.337 -0.696 20 0 DBADRM Cn1ncc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])c1C1CC1 ZINC001601021638 1017786298 /nfs/dbraw/zinc/78/62/98/1017786298.db2.gz JSVHMGOSZRXTPX-JTQLQIEISA-N -1 0 304.310 -0.228 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)NCC(=O)N1CCOCC1 ZINC001601025660 1017786467 /nfs/dbraw/zinc/78/64/67/1017786467.db2.gz ZEHSORAGAPAJMC-UHFFFAOYSA-N -1 0 311.298 -0.901 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CC[C@@H](O)C1(C)C ZINC001601021224 1017786587 /nfs/dbraw/zinc/78/65/87/1017786587.db2.gz BUAZSHAVENPEGU-MRVPVSSYSA-N -1 0 310.310 -0.571 20 0 DBADRM Cn1ncc(C(=O)N[C@H](CC(F)F)C(=O)[O-])c1-n1cnnc1 ZINC001601021500 1017786973 /nfs/dbraw/zinc/78/69/73/1017786973.db2.gz DUPJTMXBDSPTKK-SSDOTTSWSA-N -1 0 314.252 -0.161 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)NCCCN1C(=O)CCC1=O ZINC001601024144 1017787263 /nfs/dbraw/zinc/78/72/63/1017787263.db2.gz SNLIWXKIWTYFEV-UHFFFAOYSA-N -1 0 323.309 -0.221 20 0 DBADRM Cn1ncc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])c1C1CC1 ZINC001601028293 1017788435 /nfs/dbraw/zinc/78/84/35/1017788435.db2.gz AJRJILWPSJWSMY-QMMMGPOBSA-N -1 0 310.310 -0.812 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])CC2 ZINC001601030469 1017788629 /nfs/dbraw/zinc/78/86/29/1017788629.db2.gz ARWXPWONBXFVEY-ONGXEEELSA-N -1 0 323.349 -0.143 20 0 DBADRM Cn1ncc2c1nnn(CN1CCC[C@@](C)(C(=O)[O-])C1)c2=O ZINC001601029258 1017789139 /nfs/dbraw/zinc/78/91/39/1017789139.db2.gz ASAWSEVXGCNVFW-CYBMUJFWSA-N -1 0 306.326 -0.331 20 0 DBADRM Cn1nccc1[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001601032071 1017789316 /nfs/dbraw/zinc/78/93/16/1017789316.db2.gz UEYGURYNOMDRMO-MRVPVSSYSA-N -1 0 315.307 -0.277 20 0 DBADRM Cn1nccc1C(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001601031581 1017790148 /nfs/dbraw/zinc/79/01/48/1017790148.db2.gz GASUIOBIZAQABA-VIFPVBQESA-N -1 0 316.321 -0.083 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])CC2 ZINC001601031319 1017790280 /nfs/dbraw/zinc/79/02/80/1017790280.db2.gz XQECJJMUASLYCT-SKDRFNHKSA-N -1 0 320.349 -0.673 20 0 DBADRM Cn1nccc1[C@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)[O-] ZINC001601031612 1017790887 /nfs/dbraw/zinc/79/08/87/1017790887.db2.gz HTIRCHJZMJAYOF-NHTRTPJGSA-N -1 0 321.333 -0.096 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CNC(=O)c1cccnc1)C(=O)[O-] ZINC001601033240 1017792677 /nfs/dbraw/zinc/79/26/77/1017792677.db2.gz YLMFWSXTSCKBHZ-GFCCVEGCSA-N -1 0 317.305 -0.513 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001601032950 1017793138 /nfs/dbraw/zinc/79/31/38/1017793138.db2.gz NWNZASQUJIXCHQ-GMSGAONNSA-N -1 0 320.309 -0.778 20 0 DBADRM Cn1nccc1CC(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001601038444 1017793733 /nfs/dbraw/zinc/79/37/33/1017793733.db2.gz WVPARHYLVFMZRU-NSHDSACASA-N -1 0 309.322 -0.029 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1 ZINC001601038706 1017795023 /nfs/dbraw/zinc/79/50/23/1017795023.db2.gz IOBUIVHINAMFDN-VHSXEESVSA-N -1 0 324.337 -0.743 20 0 DBADRM Cn1nccc1[C@H]1COCCN1CN1C[C@@H](C(=O)[O-])CC1=O ZINC001601037914 1017795353 /nfs/dbraw/zinc/79/53/53/1017795353.db2.gz NELKAZXEOAZSLH-CMPLNLGQSA-N -1 0 308.338 -0.316 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001601040810 1017797809 /nfs/dbraw/zinc/79/78/09/1017797809.db2.gz JTTJAFLPWJQHSY-PSASIEDQSA-N -1 0 305.294 -0.587 20 0 DBADRM Cn1nnc(CNC2(C)CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001601040925 1017797838 /nfs/dbraw/zinc/79/78/38/1017797838.db2.gz VKTAVZIOQVFEIK-VHSXEESVSA-N -1 0 322.369 -0.599 20 0 DBADRM Cn1nnc(CNS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC001601040491 1017798735 /nfs/dbraw/zinc/79/87/35/1017798735.db2.gz KGCFDIYSDROHIX-HTQZYQBOSA-N -1 0 303.344 -0.727 20 0 DBADRM Cn1nnc(CNCC2(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CCCC2)n1 ZINC001601040617 1017799303 /nfs/dbraw/zinc/79/93/03/1017799303.db2.gz LQHKUEQIMHAVHL-ZJUUUORDSA-N -1 0 322.369 -0.551 20 0 DBADRM Cn1nnc(CNC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CCC2)n1 ZINC001601040995 1017799447 /nfs/dbraw/zinc/79/94/47/1017799447.db2.gz YKHBTIRQGILDSM-RKDXNWHRSA-N -1 0 308.342 -0.941 20 0 DBADRM Cn1nncc1C(=O)NC/C=C/CNc1ccnc(C(=O)[O-])n1 ZINC001601042071 1017799895 /nfs/dbraw/zinc/79/98/95/1017799895.db2.gz HIYUYFYCUHPJBY-NSCUHMNNSA-N -1 0 317.309 -0.877 20 0 DBADRM Cn1nncc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001601042092 1017800079 /nfs/dbraw/zinc/80/00/79/1017800079.db2.gz HOZFHKYEODALLI-JXUBOQSCSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1nncc1NC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001601044549 1017800260 /nfs/dbraw/zinc/80/02/60/1017800260.db2.gz COKHRUJEYCHABW-DTWKUNHWSA-N -1 0 307.310 -0.677 20 0 DBADRM Cn1nncc1CN1CCC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601043430 1017800315 /nfs/dbraw/zinc/80/03/15/1017800315.db2.gz TXHNLKYJUHRWBY-STQMWFEESA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N[C@]1(CC(=O)[O-])CCOC1)CC2 ZINC001601043203 1017800446 /nfs/dbraw/zinc/80/04/46/1017800446.db2.gz QZVNUBIUPDWUCZ-OTYXRUKQSA-N -1 0 308.338 -0.330 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N[C@@]1(CC(=O)[O-])CCOC1)CC2 ZINC001601043207 1017800586 /nfs/dbraw/zinc/80/05/86/1017800586.db2.gz QZVNUBIUPDWUCZ-YMTOWFKASA-N -1 0 308.338 -0.330 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N[C@@H](Cn1ccnc1)C(=O)[O-])CC2 ZINC001601043497 1017800853 /nfs/dbraw/zinc/80/08/53/1017800853.db2.gz UHVODBMLHCQOEO-ONGXEEELSA-N -1 0 318.337 -0.614 20 0 DBADRM Cn1nncc1C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001601043143 1017800946 /nfs/dbraw/zinc/80/09/46/1017800946.db2.gz PGNOWOQNOLYPER-UHFFFAOYSA-N -1 0 310.310 -0.124 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001601043082 1017801243 /nfs/dbraw/zinc/80/12/43/1017801243.db2.gz NGGPZAVPKVROQS-UHFFFAOYSA-N -1 0 316.317 -0.214 20 0 DBADRM Cn1nncc1C(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CC1 ZINC001601043262 1017801291 /nfs/dbraw/zinc/80/12/91/1017801291.db2.gz YUPLEALNZQYSOY-UHFFFAOYSA-N -1 0 317.309 -0.322 20 0 DBADRM Cn1oc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cc1=O ZINC001601045928 1017801747 /nfs/dbraw/zinc/80/17/47/1017801747.db2.gz RURCTQJBSOJNEJ-XSPKLOCKSA-N -1 0 323.305 -0.924 20 0 DBADRM CC(C)(F)C(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001498447813 1017806018 /nfs/dbraw/zinc/80/60/18/1017806018.db2.gz KZLBNXGBOHFOJW-UHFFFAOYSA-N -1 0 315.305 -0.988 20 0 DBADRM NC(=O)C(=O)NCCC[C@@H]1CCCN1c1ccnc(C(=O)[O-])n1 ZINC001601137216 1017807551 /nfs/dbraw/zinc/80/75/51/1017807551.db2.gz LUSKQMDPLPTREO-SECBINFHSA-N -1 0 321.337 -0.475 20 0 DBADRM NC(=O)C(=O)NCCCN(c1ncc(C(=O)[O-])cn1)C1CC1 ZINC001601137121 1017808044 /nfs/dbraw/zinc/80/80/44/1017808044.db2.gz JWHDQXPAETYNCG-UHFFFAOYSA-N -1 0 307.310 -0.865 20 0 DBADRM NC(=O)C1(NCc2noc(CCCC(=O)[O-])n2)CCOCC1 ZINC001601138926 1017808437 /nfs/dbraw/zinc/80/84/37/1017808437.db2.gz OIEYVMGDVBUUEP-UHFFFAOYSA-N -1 0 312.326 -0.399 20 0 DBADRM NC(=O)[C@H](NCCn1cc(C(=O)[O-])nn1)c1ccc(F)cc1 ZINC001601139032 1017808790 /nfs/dbraw/zinc/80/87/90/1017808790.db2.gz IEJLGUZDPJHCKS-LLVKDONJSA-N -1 0 307.285 -0.068 20 0 DBADRM NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001601137375 1017808889 /nfs/dbraw/zinc/80/88/89/1017808889.db2.gz OZHXFKYLVFZLSG-QGKZMRNZSA-N -1 0 323.349 -0.922 20 0 DBADRM NC(=O)[C@]1(NC(=O)CCCn2ccc(C(=O)[O-])n2)CCOC1 ZINC001601138827 1017808943 /nfs/dbraw/zinc/80/89/43/1017808943.db2.gz KAKPWLIPIMCSGR-ZDUSSCGKSA-N -1 0 310.310 -0.878 20 0 DBADRM NC(=O)C1(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CCC2)CC1 ZINC001601139655 1017809153 /nfs/dbraw/zinc/80/91/53/1017809153.db2.gz LBSZTTGCGLTUSS-RKDXNWHRSA-N -1 0 323.349 -0.872 20 0 DBADRM NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001601137374 1017809277 /nfs/dbraw/zinc/80/92/77/1017809277.db2.gz OZHXFKYLVFZLSG-HPENLJRUSA-N -1 0 323.349 -0.922 20 0 DBADRM NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001601142779 1017809550 /nfs/dbraw/zinc/80/95/50/1017809550.db2.gz QYCGDNOYITVSAV-OPRDCNLKSA-N -1 0 321.337 -0.349 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)N2CCC(CC(=O)[O-])CC2)C1 ZINC001601140419 1017809609 /nfs/dbraw/zinc/80/96/09/1017809609.db2.gz AWRFCNOBAODCNB-VIFPVBQESA-N -1 0 312.326 -0.487 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)CCCC(=O)[O-] ZINC001601142085 1017809709 /nfs/dbraw/zinc/80/97/09/1017809709.db2.gz UMYJTTSQLOMWBE-QXEWZRGKSA-N -1 0 304.368 -0.233 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)O1 ZINC001601142144 1017809830 /nfs/dbraw/zinc/80/98/30/1017809830.db2.gz HPGUFMSATPQROF-UKKRHICBSA-N -1 0 314.338 -0.452 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])co2)O1 ZINC001601143141 1017810090 /nfs/dbraw/zinc/81/00/90/1017810090.db2.gz ZXQKIIAISUYXHG-HTQZYQBOSA-N -1 0 318.307 -0.711 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC001601140424 1017810373 /nfs/dbraw/zinc/81/03/73/1017810373.db2.gz BHEQXHXNWPXFBB-SNVBAGLBSA-N -1 0 320.305 -0.186 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601141781 1017810577 /nfs/dbraw/zinc/81/05/77/1017810577.db2.gz QLINYCQNCHYFRO-NZFPMDFQSA-N -1 0 316.379 -0.235 20 0 DBADRM NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC001601144876 1017810715 /nfs/dbraw/zinc/81/07/15/1017810715.db2.gz XLTUCXIVOAAHQC-MRVPVSSYSA-N -1 0 313.335 -0.334 20 0 DBADRM NC(=O)CC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C2 ZINC001601145497 1017810948 /nfs/dbraw/zinc/81/09/48/1017810948.db2.gz HUHRVHICRNQFJC-ZJUUUORDSA-N -1 0 323.349 -0.967 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1 ZINC001601143773 1017810974 /nfs/dbraw/zinc/81/09/74/1017810974.db2.gz MWHQNZYVAYPITJ-ZETCQYMHSA-N -1 0 323.280 -0.204 20 0 DBADRM NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001601145851 1017811188 /nfs/dbraw/zinc/81/11/88/1017811188.db2.gz TVPYHGDXDJIPGX-IUCAKERBSA-N -1 0 304.368 -0.043 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CCO1 ZINC001601145226 1017811237 /nfs/dbraw/zinc/81/12/37/1017811237.db2.gz AAMZSBWWLGXATI-IVZWLZJFSA-N -1 0 300.311 -0.889 20 0 DBADRM CCn1nc(C)c(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001498470310 1017811299 /nfs/dbraw/zinc/81/12/99/1017811299.db2.gz PNTIJAMXRRDWKT-QMMMGPOBSA-N -1 0 322.373 -0.320 20 0 DBADRM NC(=O)CC(=O)N1CCC[C@H](CNc2ncc(C(=O)[O-])cn2)C1 ZINC001601145952 1017811664 /nfs/dbraw/zinc/81/16/64/1017811664.db2.gz NUQIRQZDZNLLNF-SECBINFHSA-N -1 0 321.337 -0.299 20 0 DBADRM NC(=O)CC(=O)N1CC=C(CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601145042 1017811669 /nfs/dbraw/zinc/81/16/69/1017811669.db2.gz BHXAWMUZGZSZJN-WDEREUQCSA-N -1 0 323.349 -0.753 20 0 DBADRM NC(=O)CCCC(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001601148352 1017812030 /nfs/dbraw/zinc/81/20/30/1017812030.db2.gz CQPYXIYTGFZZBZ-KYZUINATSA-N -1 0 321.337 -0.689 20 0 DBADRM NC(=O)[C@H]1CCC[C@H](C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001601146622 1017812210 /nfs/dbraw/zinc/81/22/10/1017812210.db2.gz YIOYOEPIXWKMMF-IUCAKERBSA-N -1 0 309.326 -0.616 20 0 DBADRM NC(=O)CC1CC(NC(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001601147949 1017812234 /nfs/dbraw/zinc/81/22/34/1017812234.db2.gz TVLXFCSDKFQULW-UHFFFAOYSA-N -1 0 307.306 -0.683 20 0 DBADRM NC(=O)C[C@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001601147487 1017812244 /nfs/dbraw/zinc/81/22/44/1017812244.db2.gz GOWHYPRMHBZHHQ-SECBINFHSA-N -1 0 306.322 -0.084 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cn2)CCO1 ZINC001601148462 1017812253 /nfs/dbraw/zinc/81/22/53/1017812253.db2.gz OAZJYGLGMMHBFO-SECBINFHSA-N -1 0 308.294 -0.112 20 0 DBADRM NC(=O)C[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001601147898 1017812280 /nfs/dbraw/zinc/81/22/80/1017812280.db2.gz HVWJWEPQPQJMPD-MRVPVSSYSA-N -1 0 313.335 -0.334 20 0 DBADRM NC(=O)CC(=O)NC[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001601146390 1017812569 /nfs/dbraw/zinc/81/25/69/1017812569.db2.gz RYXMKKPGSXYSTH-OTSSQURYSA-N -1 0 307.310 -0.643 20 0 DBADRM NC(=O)[C@@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])c2)CCO1 ZINC001601146486 1017812685 /nfs/dbraw/zinc/81/26/85/1017812685.db2.gz QJEZYKVLZNLVGL-NSHDSACASA-N -1 0 307.306 -0.491 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CCO1 ZINC001601147813 1017812704 /nfs/dbraw/zinc/81/27/04/1017812704.db2.gz FWVWDRASVBXXDW-MNOVXSKESA-N -1 0 313.354 -0.227 20 0 DBADRM NC(=O)CCNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001601150111 1017813068 /nfs/dbraw/zinc/81/30/68/1017813068.db2.gz CZHSYQQVSFWBKB-UHFFFAOYSA-N -1 0 307.306 -0.366 20 0 DBADRM NC(=O)CCCCC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001601149729 1017813223 /nfs/dbraw/zinc/81/32/23/1017813223.db2.gz YDBLYMDFSAQYFU-VIFPVBQESA-N -1 0 309.326 -0.205 20 0 DBADRM NC(=O)CCC1CCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC001601149336 1017813353 /nfs/dbraw/zinc/81/33/53/1017813353.db2.gz HAYFKSGWQDAVCP-UHFFFAOYSA-N -1 0 301.343 -0.225 20 0 DBADRM NC(=O)CN1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1 ZINC001601150923 1017813500 /nfs/dbraw/zinc/81/35/00/1017813500.db2.gz LXAHUHQGFDNHBJ-UHFFFAOYSA-N -1 0 309.366 -0.349 20 0 DBADRM NC(=O)CN1CCC[C@H](NC(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001601150816 1017813520 /nfs/dbraw/zinc/81/35/20/1017813520.db2.gz IOZNHSKWGULKCF-JTQLQIEISA-N -1 0 306.322 -0.541 20 0 DBADRM NC(=O)CCCC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001601149783 1017813574 /nfs/dbraw/zinc/81/35/74/1017813574.db2.gz ONBHFXLOLZLUCM-SECBINFHSA-N -1 0 309.326 -0.205 20 0 DBADRM NC(=O)CN1CCC(NC(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC001601151138 1017813914 /nfs/dbraw/zinc/81/39/14/1017813914.db2.gz QLANHMCPIODSIE-UHFFFAOYSA-N -1 0 319.361 -0.007 20 0 DBADRM NC(=O)CSCC(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC001601152848 1017814210 /nfs/dbraw/zinc/81/42/10/1017814210.db2.gz TZXHEDVSQMYDQQ-ZETCQYMHSA-N -1 0 303.365 -0.527 20 0 DBADRM NC(=O)COC1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC001601153081 1017815040 /nfs/dbraw/zinc/81/50/40/1017815040.db2.gz ZPKDYXPBXARCRT-UHFFFAOYSA-N -1 0 304.368 -0.313 20 0 DBADRM NC(=O)Cn1cc(C(=O)N(CCC(F)(F)F)CC(=O)[O-])nn1 ZINC001601153041 1017814376 /nfs/dbraw/zinc/81/43/76/1017814376.db2.gz BHYKWOZUTAWDSV-UHFFFAOYSA-N -1 0 323.231 -0.757 20 0 DBADRM NC(=O)NCCCCC(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001601155747 1017814473 /nfs/dbraw/zinc/81/44/73/1017814473.db2.gz FVMVDXLMQKPKEE-QMMMGPOBSA-N -1 0 303.315 -0.843 20 0 DBADRM NC(=O)N1CCC[C@H]1C(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001601154924 1017814706 /nfs/dbraw/zinc/81/47/06/1017814706.db2.gz CANWHKANLATJCK-JTQLQIEISA-N -1 0 313.354 -0.083 20 0 DBADRM NC(=O)Cc1ccc(CNC(=O)NCCOCC(=O)[O-])cc1 ZINC001601153398 1017814810 /nfs/dbraw/zinc/81/48/10/1017814810.db2.gz RCUUROSKHDLERW-UHFFFAOYSA-N -1 0 309.322 -0.385 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cc1 ZINC001601156268 1017814952 /nfs/dbraw/zinc/81/49/52/1017814952.db2.gz QUFHSXAJLDPBCT-RYUDHWBXSA-N -1 0 321.333 -0.095 20 0 DBADRM NC(=O)NCCC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001601157299 1017815432 /nfs/dbraw/zinc/81/54/32/1017815432.db2.gz IJUBXCGOHHDSSQ-QMMMGPOBSA-N -1 0 310.314 -0.802 20 0 DBADRM NC(=O)NC1(C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001601157705 1017815493 /nfs/dbraw/zinc/81/54/93/1017815493.db2.gz FTJPFMOLSXKXAL-QMMMGPOBSA-N -1 0 322.325 -0.659 20 0 DBADRM NC(=O)N[C@@H](CO)C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001601158856 1017815789 /nfs/dbraw/zinc/81/57/89/1017815789.db2.gz WTLJJWOELUQESO-XHDPSFHLSA-N -1 0 321.333 -0.730 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2O)C(=O)[O-])O1 ZINC001601157600 1017816072 /nfs/dbraw/zinc/81/60/72/1017816072.db2.gz XIAVLMIBQSKWEN-ZMLRMANQSA-N -1 0 322.317 -0.463 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CC[C@@](F)(C(=O)[O-])C2)O1 ZINC001601156992 1017815995 /nfs/dbraw/zinc/81/59/95/1017815995.db2.gz LGVDMDXBYHKOLF-ZDMBXUJBSA-N -1 0 302.302 -0.175 20 0 DBADRM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])C1 ZINC001601157234 1017816010 /nfs/dbraw/zinc/81/60/10/1017816010.db2.gz HILNPYIZTHUSST-MRVPVSSYSA-N -1 0 313.335 -0.184 20 0 DBADRM NC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001601158810 1017816089 /nfs/dbraw/zinc/81/60/89/1017816089.db2.gz VQIYZIIYXSLELK-JTQLQIEISA-N -1 0 320.305 -0.408 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC001601159839 1017816389 /nfs/dbraw/zinc/81/63/89/1017816389.db2.gz MQXGVSQGOHRAQV-KYZUINATSA-N -1 0 309.326 -0.616 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c1 ZINC001601161526 1017816515 /nfs/dbraw/zinc/81/65/15/1017816515.db2.gz XCLAKKZHWZFOBQ-CYBMUJFWSA-N -1 0 306.278 -0.441 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC001601160823 1017816662 /nfs/dbraw/zinc/81/66/62/1017816662.db2.gz YZXDWNDDZUCNFO-LJGSYFOKSA-N -1 0 323.280 -0.158 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])O1 ZINC001601159956 1017816936 /nfs/dbraw/zinc/81/69/36/1017816936.db2.gz RYXQGBRRBWZWGQ-YTWAJWBKSA-N -1 0 314.338 -0.595 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)NCC2(C(=O)[O-])CCOCC2)O1 ZINC001601160217 1017817078 /nfs/dbraw/zinc/81/70/78/1017817078.db2.gz ZPPSMKRIJPBHMB-BDAKNGLRSA-N -1 0 300.311 -0.983 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)NC/C=C\CNc1ncc(C(=O)[O-])cn1 ZINC001601159163 1017817123 /nfs/dbraw/zinc/81/71/23/1017817123.db2.gz CRLQWDSEYKJINT-SZXTZRQCSA-N -1 0 319.321 -0.620 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NC(=O)C(=O)Nc2sccc2C(=O)[O-])C1 ZINC001601160578 1017817186 /nfs/dbraw/zinc/81/71/86/1017817186.db2.gz RMQMMLLDZWJGEP-OLQVQODUSA-N -1 0 311.319 -0.235 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001601167369 1017817572 /nfs/dbraw/zinc/81/75/72/1017817572.db2.gz UQJSLJRPDZVSCP-MWLCHTKSSA-N -1 0 308.290 -0.789 20 0 DBADRM NC(=O)c1ccc(C(=O)OCCCc2cn(CC(=O)[O-])nn2)o1 ZINC001601164544 1017817608 /nfs/dbraw/zinc/81/76/08/1017817608.db2.gz IANRFZUGSKPSOA-UHFFFAOYSA-N -1 0 322.277 -0.156 20 0 DBADRM NC(=O)c1ccc(NC(=O)NCCC(=O)NCCC(=O)[O-])cc1 ZINC001601166207 1017817614 /nfs/dbraw/zinc/81/76/14/1017817614.db2.gz BHAJNYSSDDUNKS-UHFFFAOYSA-N -1 0 322.321 -0.112 20 0 DBADRM NC(=O)c1ccc(OCC(=O)NC2(C(=O)[O-])CC(CO)C2)cc1 ZINC001601167547 1017817774 /nfs/dbraw/zinc/81/77/74/1017817774.db2.gz XZUDMDUIJXEKRR-UHFFFAOYSA-N -1 0 322.317 -0.494 20 0 DBADRM NC(=O)c1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCSC2)cn1 ZINC001601164771 1017817908 /nfs/dbraw/zinc/81/79/08/1017817908.db2.gz UEGVAJHGMJWSQF-ZDUSSCGKSA-N -1 0 309.347 -0.201 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)c1 ZINC001601168173 1017818016 /nfs/dbraw/zinc/81/80/16/1017818016.db2.gz KSPJFPASJSATOX-UHFFFAOYSA-N -1 0 317.301 -0.200 20 0 DBADRM NC(=O)c1cccc(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])n1 ZINC001601168009 1017818022 /nfs/dbraw/zinc/81/80/22/1017818022.db2.gz FAMLXPHMKKAXOX-GMSGAONNSA-N -1 0 308.294 -0.208 20 0 DBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)cn1 ZINC001601166818 1017818135 /nfs/dbraw/zinc/81/81/35/1017818135.db2.gz ZSDUOYCDTANJEB-UHFFFAOYSA-N -1 0 318.289 -0.805 20 0 DBADRM NC(=O)c1ccc(C(=O)OCCn2cc(C(=O)[O-])nn2)cc1 ZINC001601164636 1017818151 /nfs/dbraw/zinc/81/81/51/1017818151.db2.gz KNMZFYGAEDXERN-UHFFFAOYSA-N -1 0 304.262 -0.068 20 0 DBADRM NC(=O)c1cc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])c[nH]1 ZINC001601164185 1017818228 /nfs/dbraw/zinc/81/82/28/1017818228.db2.gz VZFONDXWCWCHBO-QMMMGPOBSA-N -1 0 311.294 -0.550 20 0 DBADRM NC(=O)c1cccc(OCCC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC001601168459 1017818463 /nfs/dbraw/zinc/81/84/63/1017818463.db2.gz WFRFHWDDQSSMCU-PWSUYJOCSA-N -1 0 322.317 -0.399 20 0 DBADRM NC(=O)c1cccc(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)n1 ZINC001601169389 1017818778 /nfs/dbraw/zinc/81/87/78/1017818778.db2.gz WGHFLCIVORAUNL-DTWKUNHWSA-N -1 0 307.306 -0.352 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC001601171054 1017819018 /nfs/dbraw/zinc/81/90/18/1017819018.db2.gz TWRKHEQRBMASFQ-SECBINFHSA-N -1 0 317.305 -0.189 20 0 DBADRM NC(=O)c1cncc(OS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC001601170196 1017819028 /nfs/dbraw/zinc/81/90/28/1017819028.db2.gz VDXFEAPYCCGAKI-KZCWHLCOSA-N -1 0 300.292 -0.248 20 0 DBADRM NC(=O)c1nnn(CCOc2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC001601173341 1017819215 /nfs/dbraw/zinc/81/92/15/1017819215.db2.gz JNNYHLLCUOWTBR-UTCJRWHESA-N -1 0 303.278 -0.051 20 0 DBADRM NC(=O)c1nccnc1C(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001601171781 1017819269 /nfs/dbraw/zinc/81/92/69/1017819269.db2.gz BXOSEQNQDRBIPN-UHFFFAOYSA-N -1 0 301.262 -0.401 20 0 DBADRM NC(=O)c1cnc(C(=O)NC[C@H](O)CC(=O)[O-])c(Cl)c1 ZINC001601169780 1017819276 /nfs/dbraw/zinc/81/92/76/1017819276.db2.gz GOKHGNKEWXVYMZ-ZCFIWIBFSA-N -1 0 301.686 -0.601 20 0 DBADRM NC(=O)c1csc(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])n1 ZINC001601172668 1017819402 /nfs/dbraw/zinc/81/94/02/1017819402.db2.gz WKDPHSYDPFMRFT-IYSWYEEDSA-N -1 0 314.323 -0.147 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@]2(C(=O)[O-])CCSC2)S1 ZINC001601178121 1017820146 /nfs/dbraw/zinc/82/01/46/1017820146.db2.gz IZLWSZSBWAZEBE-GPXNAGAYSA-N -1 0 303.365 -0.381 20 0 DBADRM NS(=O)(=O)C1(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CC1 ZINC001601191969 1017822273 /nfs/dbraw/zinc/82/22/73/1017822273.db2.gz FENKNXPUBCJDAV-XAVMHZPKSA-N -1 0 302.352 -0.577 20 0 DBADRM NS(=O)(=O)C1(C(=O)OCc2nc(C(=O)[O-])cs2)CC1 ZINC001601192480 1017822655 /nfs/dbraw/zinc/82/26/55/1017822655.db2.gz MGEMHTMHYHDENG-UHFFFAOYSA-N -1 0 306.321 -0.294 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001601193389 1017823536 /nfs/dbraw/zinc/82/35/36/1017823536.db2.gz YCNSPNDPRKVTMF-SECBINFHSA-N -1 0 308.356 -0.853 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001601193146 1017823223 /nfs/dbraw/zinc/82/32/23/1017823223.db2.gz NPKXLTMTCIYCHA-UHFFFAOYSA-N -1 0 315.351 -0.493 20 0 DBADRM NS(=O)(=O)CCCNC(=O)c1ccc(C(=O)[O-])cc1F ZINC001601194297 1017823296 /nfs/dbraw/zinc/82/32/96/1017823296.db2.gz ZZTMMDSWBLVTDZ-UHFFFAOYSA-N -1 0 304.299 -0.068 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)NCc2ccc(C(=O)[O-])s2)C1 ZINC001601193665 1017823515 /nfs/dbraw/zinc/82/35/15/1017823515.db2.gz FFLSNRJNQOWSKO-UHFFFAOYSA-N -1 0 319.364 -0.371 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)NCCCCC(=O)[O-])CC1 ZINC001601194375 1017823729 /nfs/dbraw/zinc/82/37/29/1017823729.db2.gz OZZKSKYPEFIPIB-UHFFFAOYSA-N -1 0 321.399 -0.049 20 0 DBADRM NS(=O)(=O)CCOCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001601193580 1017823830 /nfs/dbraw/zinc/82/38/30/1017823830.db2.gz FLWNGHUUNSFULV-MGCOHNPYSA-N -1 0 322.383 -0.701 20 0 DBADRM NS(=O)(=O)CCCCCCC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001601193191 1017823903 /nfs/dbraw/zinc/82/39/03/1017823903.db2.gz PPTMSYCTKGDRIK-GFCCVEGCSA-N -1 0 322.383 -0.415 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601194059 1017824116 /nfs/dbraw/zinc/82/41/16/1017824116.db2.gz LPEAQLOFQUICKB-HRDYMLBCSA-N -1 0 305.356 -0.688 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cs1 ZINC001601195532 1017824344 /nfs/dbraw/zinc/82/43/44/1017824344.db2.gz BGEZBYHRSZIBGM-POYBYMJQSA-N -1 0 320.348 -0.633 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1 ZINC001601195361 1017824534 /nfs/dbraw/zinc/82/45/34/1017824534.db2.gz QOZVFSUHGRZAIO-NXEZZACHSA-N -1 0 317.367 -0.809 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H](CCF)C(=O)[O-])cs1 ZINC001601196020 1017824625 /nfs/dbraw/zinc/82/46/25/1017824625.db2.gz LAFGIRKYBTUAEY-ZCFIWIBFSA-N -1 0 310.328 -0.062 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)o1 ZINC001601196638 1017824716 /nfs/dbraw/zinc/82/47/16/1017824716.db2.gz DQBLQMLINPXPNF-ZETCQYMHSA-N -1 0 300.292 -0.170 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC[C@H](O)C(=O)[O-])cc1Cl ZINC001601197027 1017824720 /nfs/dbraw/zinc/82/47/20/1017824720.db2.gz NRZNJDYTQPYFLV-ZETCQYMHSA-N -1 0 322.726 -0.837 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)OCCCCC(=O)[O-])C1 ZINC001601195379 1017825279 /nfs/dbraw/zinc/82/52/79/1017825279.db2.gz RANZTXNXCGNBOV-SECBINFHSA-N -1 0 308.356 -0.300 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC001601194786 1017825306 /nfs/dbraw/zinc/82/53/06/1017825306.db2.gz WOYCRQUVKDRTMG-ZJUUUORDSA-N -1 0 320.367 -0.854 20 0 DBADRM NS(=O)(=O)c1ccc(CCOC(=O)COCC(=O)[O-])cc1 ZINC001601198486 1017826248 /nfs/dbraw/zinc/82/62/48/1017826248.db2.gz SVFMPWHEKIFOOB-UHFFFAOYSA-N -1 0 317.319 -0.479 20 0 DBADRM NS(=O)(=O)c1cn(CCOc2cccc(C(=O)[O-])c2)nn1 ZINC001601201412 1017826419 /nfs/dbraw/zinc/82/64/19/1017826419.db2.gz FVOLYYADMZPRIT-UHFFFAOYSA-N -1 0 312.307 -0.297 20 0 DBADRM NS(=O)(=O)c1ccc(CN2CCOC[C@@H]2C(=O)[O-])cc1 ZINC001601198502 1017826473 /nfs/dbraw/zinc/82/64/73/1017826473.db2.gz UNBJKAKOIDTNQK-LLVKDONJSA-N -1 0 300.336 -0.381 20 0 DBADRM NS(=O)(=O)c1ccc(N2C[C@@H]3C[C@]3(CO)C2)c(C(=O)[O-])c1 ZINC001601199405 1017826499 /nfs/dbraw/zinc/82/64/99/1017826499.db2.gz ZWRAIRXPXIQEJH-ISVAXAHUSA-N -1 0 312.347 -0.149 20 0 DBADRM Nc1nc(C(=O)NC2(CC(=O)[O-])CC2)nc(N2CCOCC2)n1 ZINC001601219411 1017826678 /nfs/dbraw/zinc/82/66/78/1017826678.db2.gz FWIPZOXNAAYMSA-UHFFFAOYSA-N -1 0 322.325 -0.973 20 0 DBADRM Nc1c(C(=O)N2CC[C@](O)(C(=O)[O-])C2)cnn1-c1ccccn1 ZINC001601206731 1017826728 /nfs/dbraw/zinc/82/67/28/1017826728.db2.gz CGDHMWHQXNOHQR-CQSZACIVSA-N -1 0 317.305 -0.489 20 0 DBADRM Nc1cc(F)c(Cl)cc1C(=O)NCC(=O)NCC(=O)[O-] ZINC001601213295 1017826863 /nfs/dbraw/zinc/82/68/63/1017826863.db2.gz LGQIGSOZJWQCAP-UHFFFAOYSA-N -1 0 303.677 -0.008 20 0 DBADRM Nc1ccccc1S(=O)(=O)NCC(=O)N1CC(C(=O)[O-])C1 ZINC001601217844 1017827039 /nfs/dbraw/zinc/82/70/39/1017827039.db2.gz RTTJGAHHELDNFM-UHFFFAOYSA-N -1 0 313.335 -0.910 20 0 DBADRM Nc1c(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cnn1-c1ccccn1 ZINC001601207450 1017827225 /nfs/dbraw/zinc/82/72/25/1017827225.db2.gz FTUGWWDFNMGUSB-AWEZNQCLSA-N -1 0 317.305 -0.177 20 0 DBADRM Nc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c(F)c1 ZINC001601216964 1017827585 /nfs/dbraw/zinc/82/75/85/1017827585.db2.gz XOGVIWBABOJKAE-IONNQARKSA-N -1 0 318.326 -0.136 20 0 DBADRM Nc1nc(C2CCCC2)ncc1C(=O)NCC(=O)NCC(=O)[O-] ZINC001601219381 1017827671 /nfs/dbraw/zinc/82/76/71/1017827671.db2.gz DTOAPKRLZVARKK-UHFFFAOYSA-N -1 0 321.337 -0.353 20 0 DBADRM Nc1nnc(CC(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)s1 ZINC001601223883 1017827877 /nfs/dbraw/zinc/82/78/77/1017827877.db2.gz HYLCVVDUZSBMRP-RQJHMYQMSA-N -1 0 300.340 -0.484 20 0 DBADRM Nc1ncn(CC(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)n1 ZINC001601222041 1017828092 /nfs/dbraw/zinc/82/80/92/1017828092.db2.gz IPZXCSYZWCDZOB-GFCCVEGCSA-N -1 0 317.305 -0.263 20 0 DBADRM Nc1nc(Cl)ccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001601220761 1017828251 /nfs/dbraw/zinc/82/82/51/1017828251.db2.gz ROTCURNIXOVMKX-SSDOTTSWSA-N -1 0 312.713 -0.268 20 0 DBADRM Nc1ncn(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])n1 ZINC001601222216 1017828435 /nfs/dbraw/zinc/82/84/35/1017828435.db2.gz MYWYYNKUWXSBBM-JTQLQIEISA-N -1 0 307.285 -0.189 20 0 DBADRM Nc1ncc2c(n1)CN([C@@H]1CCN(CCC(=O)[O-])C1=O)CC2 ZINC001601221628 1017828627 /nfs/dbraw/zinc/82/86/27/1017828627.db2.gz KMXCHQJHKGEZKW-LLVKDONJSA-N -1 0 305.338 -0.508 20 0 DBADRM Nc1nnn(CC(=O)N2CCc3c(cccc3C(=O)[O-])C2)n1 ZINC001601223886 1017828695 /nfs/dbraw/zinc/82/86/95/1017828695.db2.gz ICJJOKHFCPIRMS-UHFFFAOYSA-N -1 0 302.294 -0.462 20 0 DBADRM Nc1ncnc2cc(C(=O)N3CC[C@@](O)(C(=O)[O-])C3)ccc12 ZINC001601222577 1017828807 /nfs/dbraw/zinc/82/88/07/1017828807.db2.gz FLAKWDSTTXGHNX-AWEZNQCLSA-N -1 0 302.290 -0.126 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[C@H](CO)C1)C2 ZINC001601223717 1017828825 /nfs/dbraw/zinc/82/88/25/1017828825.db2.gz IGBXWXSSHRTMCW-PGUXBMHVSA-N -1 0 310.350 -0.460 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001601222298 1017828858 /nfs/dbraw/zinc/82/88/58/1017828858.db2.gz QRYAHCMIARHQOA-MBTKJCJQSA-N -1 0 316.321 -0.412 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CNCCS1(=O)=O)C2 ZINC001601228752 1017829077 /nfs/dbraw/zinc/82/90/77/1017829077.db2.gz IOIUUUMJCRRHBO-KWBADKCTSA-N -1 0 316.379 -0.914 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001601227653 1017829161 /nfs/dbraw/zinc/82/91/61/1017829161.db2.gz UUJDRGKGCLTCTI-LBPRGKRZSA-N -1 0 305.327 -0.164 20 0 DBADRM Nn1c(SCC(=O)NCCC(=O)[O-])nnc1-c1ccco1 ZINC001601225370 1017829251 /nfs/dbraw/zinc/82/92/51/1017829251.db2.gz UUODDNGNXWSWHO-UHFFFAOYSA-N -1 0 311.323 -0.065 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@H]2C[C@]23C(=O)Nc2ccccc23)C1 ZINC001601227273 1017829473 /nfs/dbraw/zinc/82/94/73/1017829473.db2.gz OGDTZCKBNHSHNQ-BJOHPYRUSA-N -1 0 302.286 -0.446 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)[C@@H]3C[C@]34CCOC4)CC2)CCOC1 ZINC001601227077 1017829503 /nfs/dbraw/zinc/82/95/03/1017829503.db2.gz KCGIFSLCKDCYKH-RCBQFDQVSA-N -1 0 324.377 -0.199 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C1 ZINC001601227570 1017829525 /nfs/dbraw/zinc/82/95/25/1017829525.db2.gz JSTMACKSAVHMFK-CPCISQLKSA-N -1 0 324.255 -0.412 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001601248205 1017830130 /nfs/dbraw/zinc/83/01/30/1017830130.db2.gz JQMFMSXYDXNFFQ-IUCAKERBSA-N -1 0 319.335 -0.733 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)C[C@@H]2CCOC2)nc1 ZINC001601257131 1017830266 /nfs/dbraw/zinc/83/02/66/1017830266.db2.gz SGNBGFKXANVOKK-GXSJLCMTSA-N -1 0 324.337 -0.510 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CCO)(NC(=O)CC2CC2)C1 ZINC001601247880 1017830412 /nfs/dbraw/zinc/83/04/12/1017830412.db2.gz IFVTXUMBUXVFKL-QWRGUYRKSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C(C[C@H]1CCNC1=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001601256622 1017830548 /nfs/dbraw/zinc/83/05/48/1017830548.db2.gz TZGMMKBFPXKJPK-BDAKNGLRSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)CC2(O)CCC2)C1 ZINC001601246756 1017830693 /nfs/dbraw/zinc/83/06/93/1017830693.db2.gz CDWMQXNLTCFYOL-GWOFURMSSA-N -1 0 310.350 -0.224 20 0 DBADRM O=C([O-])C1(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)CCOCC1 ZINC001601248399 1017830940 /nfs/dbraw/zinc/83/09/40/1017830940.db2.gz LKWPYPVPVFPDRU-VIFPVBQESA-N -1 0 303.336 -0.315 20 0 DBADRM O=C(/C=C\COC1CCOCC1)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001601232829 1017830970 /nfs/dbraw/zinc/83/09/70/1017830970.db2.gz TZLOLFQIXMAQLV-UDSFMNFJSA-N -1 0 324.337 -0.401 20 0 DBADRM O=C(C[C@@H]1CCCS(=O)(=O)C1)NC1(C(=O)[O-])CCOCC1 ZINC001601255372 1017831003 /nfs/dbraw/zinc/83/10/03/1017831003.db2.gz KCVQLVGKOOSSAF-JTQLQIEISA-N -1 0 319.379 -0.049 20 0 DBADRM O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001601264600 1017831149 /nfs/dbraw/zinc/83/11/49/1017831149.db2.gz LWYIQZOIOSINDM-VGMNWLOBSA-N -1 0 313.310 -0.887 20 0 DBADRM O=C(CCCNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)NC1CC1 ZINC001601268164 1017831317 /nfs/dbraw/zinc/83/13/17/1017831317.db2.gz VGFKPEORIONWJO-CZMCAQCFSA-N -1 0 311.338 -0.859 20 0 DBADRM O=C(CC1CCOCC1)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001601257454 1017831514 /nfs/dbraw/zinc/83/15/14/1017831514.db2.gz WRCVRWDFXYKHKI-UHFFFAOYSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)NC1(C(=O)[O-])CCSCC1 ZINC001601257844 1017831764 /nfs/dbraw/zinc/83/17/64/1017831764.db2.gz ZKTWBSKNRBNNDV-UHFFFAOYSA-N -1 0 307.393 -0.112 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001601267860 1017831835 /nfs/dbraw/zinc/83/18/35/1017831835.db2.gz FPQKKSFFWFSBRJ-ITMYJUKJSA-N -1 0 309.322 -0.312 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)CCCS(=O)(=O)N1CCCC1 ZINC001601269773 1017831923 /nfs/dbraw/zinc/83/19/23/1017831923.db2.gz HETHIXOCJXZBDX-JTQLQIEISA-N -1 0 322.383 -0.856 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNC(=O)CCc1cncnc1 ZINC001601293084 1017832483 /nfs/dbraw/zinc/83/24/83/1017832483.db2.gz BJUZUHFFUAHXBY-MNOVXSKESA-N -1 0 306.322 -0.638 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)CCOC[C@@H]2CCCO2)nn1 ZINC001601281191 1017832742 /nfs/dbraw/zinc/83/27/42/1017832742.db2.gz DZBCAGKJZCQUFK-JTQLQIEISA-N -1 0 312.326 -0.322 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNC(=O)CCc1cncnc1 ZINC001601293085 1017833229 /nfs/dbraw/zinc/83/32/29/1017833229.db2.gz BJUZUHFFUAHXBY-QWRGUYRKSA-N -1 0 306.322 -0.638 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)CCn1ccccc1=O ZINC001601299572 1017833467 /nfs/dbraw/zinc/83/34/67/1017833467.db2.gz MRSNACODHUGGES-JTQLQIEISA-N -1 0 305.294 -0.901 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC001601299158 1017833813 /nfs/dbraw/zinc/83/38/13/1017833813.db2.gz YHIWTILJFWOBQP-JTQLQIEISA-N -1 0 321.289 -0.946 20 0 DBADRM O=C([O-])C12CCC(CC1)N2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001601300298 1017833859 /nfs/dbraw/zinc/83/38/59/1017833859.db2.gz MQNOVNYTTXMPSB-UHFFFAOYSA-N -1 0 307.306 -0.465 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001601296689 1017833958 /nfs/dbraw/zinc/83/39/58/1017833958.db2.gz LKTXORHQLXAPBJ-ZYUZMQFOSA-N -1 0 321.337 -0.779 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCNC(=O)CCn1cncn1 ZINC001601300744 1017834146 /nfs/dbraw/zinc/83/41/46/1017834146.db2.gz NWLXXAPJESDPGQ-NXEZZACHSA-N -1 0 309.326 -0.989 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)CCn2cncn2)C1 ZINC001601300715 1017834252 /nfs/dbraw/zinc/83/42/52/1017834252.db2.gz MYAQISFHNNDKHX-ZRUFSTJUSA-N -1 0 321.337 -0.848 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC001601294235 1017834291 /nfs/dbraw/zinc/83/42/91/1017834291.db2.gz GDJHREAXYAQEII-RQJHMYQMSA-N -1 0 306.282 -0.233 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCCNC(=O)CCn1cncn1 ZINC001601300747 1017834376 /nfs/dbraw/zinc/83/43/76/1017834376.db2.gz NWLXXAPJESDPGQ-ZJUUUORDSA-N -1 0 309.326 -0.989 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)CCn1ccccc1=O ZINC001601300146 1017834443 /nfs/dbraw/zinc/83/44/43/1017834443.db2.gz YIRCYHOHBBARNI-SNVBAGLBSA-N -1 0 310.306 -0.429 20 0 DBADRM O=C([O-])C1(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC001601303232 1017835417 /nfs/dbraw/zinc/83/54/17/1017835417.db2.gz OIUBVASTKYRSPZ-UHFFFAOYSA-N -1 0 324.314 -0.436 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1CC(=O)NC(=O)Nc1ccccc1 ZINC001601304374 1017835501 /nfs/dbraw/zinc/83/55/01/1017835501.db2.gz AEXMLSIOAMDGEE-GHMZBOCLSA-N -1 0 307.306 -0.146 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1CC(=O)NCC(=O)c1ccccc1 ZINC001601306902 1017835657 /nfs/dbraw/zinc/83/56/57/1017835657.db2.gz UKNNPEKGCQHIJO-VXGBXAGGSA-N -1 0 306.318 -0.495 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)NCc1nnc(C2CC2)[nH]1 ZINC001601309919 1017836069 /nfs/dbraw/zinc/83/60/69/1017836069.db2.gz FYKILXMUMUBCEM-VIFPVBQESA-N -1 0 321.337 -0.379 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2CCn3ccnc3C2)C1=O ZINC001601307435 1017836146 /nfs/dbraw/zinc/83/61/46/1017836146.db2.gz AMZOQJHWKZOAQD-MNOVXSKESA-N -1 0 320.349 -0.363 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)O[C@@H]1CCN(C2CC2)C1=O ZINC001601310003 1017836685 /nfs/dbraw/zinc/83/66/85/1017836685.db2.gz JEFJPFPSYYPIEH-WDEREUQCSA-N -1 0 324.333 -0.384 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)N[C@@H]1C[C@H]1[C@H]1CCCO1 ZINC001601312641 1017836980 /nfs/dbraw/zinc/83/69/80/1017836980.db2.gz PYYHSGKXXKXPGB-IRCOFANPSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCCCC(=O)C1=O)c1ccccn1 ZINC001601313339 1017837009 /nfs/dbraw/zinc/83/70/09/1017837009.db2.gz FGIGOEKMZSDMSY-CYBMUJFWSA-N -1 0 319.317 -0.095 20 0 DBADRM O=C(CN1CCCS1(=O)=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001601312799 1017837220 /nfs/dbraw/zinc/83/72/20/1017837220.db2.gz AKHQJCACXDXDHQ-DBIOUOCHSA-N -1 0 316.379 -0.363 20 0 DBADRM O=C(CN1CCCCC1=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001601314559 1017837319 /nfs/dbraw/zinc/83/73/19/1017837319.db2.gz OWBPPUUITIUOJR-GHMZBOCLSA-N -1 0 323.349 -0.953 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@H]2CC[C@@H](CO)CC2)C1=O ZINC001601313605 1017837346 /nfs/dbraw/zinc/83/73/46/1017837346.db2.gz VHUWZZDBGHZYHD-GRYCIOLGSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001601314925 1017837498 /nfs/dbraw/zinc/83/74/98/1017837498.db2.gz QMGNBGJDIJKPJA-ZDUSSCGKSA-N -1 0 313.379 -0.037 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)Nc2cnc3nccn3c2)C1=O ZINC001601311454 1017837747 /nfs/dbraw/zinc/83/77/47/1017837747.db2.gz FCQABAANJWQDEN-JTQLQIEISA-N -1 0 317.305 -0.009 20 0 DBADRM O=C(CN1CCCCS1(=O)=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001601315607 1017838107 /nfs/dbraw/zinc/83/81/07/1017838107.db2.gz QTGBANLBXMUEHW-LBPRGKRZSA-N -1 0 320.367 -0.981 20 0 DBADRM O=C([O-])[C@H]1[C@@H](CN2CCN(CC(=O)NC3CC3)CC2)C1(F)F ZINC001601315916 1017837973 /nfs/dbraw/zinc/83/79/73/1017837973.db2.gz HZXMAEFUPLKCIE-ZYHUDNBSSA-N -1 0 317.336 -0.152 20 0 DBADRM O=C(CN1CCCCS1(=O)=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001601315606 1017838351 /nfs/dbraw/zinc/83/83/51/1017838351.db2.gz QTGBANLBXMUEHW-GFCCVEGCSA-N -1 0 320.367 -0.981 20 0 DBADRM O=C(CN1CCOC1=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001601316967 1017838482 /nfs/dbraw/zinc/83/84/82/1017838482.db2.gz ZTLNACKCPWPFQJ-UWVGGRQHSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)CNC(=O)Cc1ccc(O)cc1 ZINC001601321833 1017839211 /nfs/dbraw/zinc/83/92/11/1017839211.db2.gz UGMPSWSRNAVWQL-NSHDSACASA-N -1 0 310.306 -0.997 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCC(=O)NC2CCCC2)nn1 ZINC001601321342 1017839627 /nfs/dbraw/zinc/83/96/27/1017839627.db2.gz ZXEYFGBDOOLSQN-UHFFFAOYSA-N -1 0 324.341 -0.666 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(NCC(=O)Nc2ccon2)CC1 ZINC001601326087 1017839641 /nfs/dbraw/zinc/83/96/41/1017839641.db2.gz KWJFIHMSMZMFDJ-DTWKUNHWSA-N -1 0 322.321 -0.428 20 0 DBADRM O=C([O-])C1(NC(=O)CNC(=O)c2cccc(F)c2)CC(CO)C1 ZINC001601322394 1017839732 /nfs/dbraw/zinc/83/97/32/1017839732.db2.gz MSWSVYCEKDQZQI-UHFFFAOYSA-N -1 0 324.308 -0.103 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C1=CCS(=O)(=O)C1)[C@H]1CCOC1 ZINC001601451800 1017851876 /nfs/dbraw/zinc/85/18/76/1017851876.db2.gz JRQWBCXQENEXKE-WPRPVWTQSA-N -1 0 303.336 -0.805 20 0 DBADRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)NCC(=O)NC2CC2)c1 ZINC001601320193 1017839901 /nfs/dbraw/zinc/83/99/01/1017839901.db2.gz GOIVZGJHBLIZAL-UHFFFAOYSA-N -1 0 323.280 -0.143 20 0 DBADRM O=C(CNC(=O)N1CCCC1)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001601322048 1017839968 /nfs/dbraw/zinc/83/99/68/1017839968.db2.gz XYYVRVMYJBXWEL-WDEREUQCSA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])c1cccc(NC(=O)COC(=O)CN2CCOCC2)n1 ZINC001601332338 1017840229 /nfs/dbraw/zinc/84/02/29/1017840229.db2.gz DTUWJGXJGMWAIA-UHFFFAOYSA-N -1 0 323.305 -0.406 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)COCc1cccnc1 ZINC001601339613 1017840268 /nfs/dbraw/zinc/84/02/68/1017840268.db2.gz WNXPONQQESVNMT-NSHDSACASA-N -1 0 310.306 -0.069 20 0 DBADRM O=C([O-])c1cn(CC(=O)OCC(=O)NC2CCCCC2)nn1 ZINC001601333974 1017840450 /nfs/dbraw/zinc/84/04/50/1017840450.db2.gz ZSKMKEHQFYBBSO-UHFFFAOYSA-N -1 0 310.310 -0.032 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NC[C@H](O)C(F)(F)F ZINC001601340668 1017840583 /nfs/dbraw/zinc/84/05/83/1017840583.db2.gz GXZHOIBZFNIBEF-LURJTMIESA-N -1 0 312.200 -0.071 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC(=O)OCC2CC2)n[nH]1 ZINC001601328554 1017841055 /nfs/dbraw/zinc/84/10/55/1017841055.db2.gz WCGQRLVQGAWZAL-UHFFFAOYSA-N -1 0 303.296 -0.661 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)CO[C@H]2CCOC2)n1 ZINC001601337239 1017841120 /nfs/dbraw/zinc/84/11/20/1017841120.db2.gz HXPDDAATULAKHJ-JTQLQIEISA-N -1 0 324.337 -0.680 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CCNC(=O)CO)[C@@H]2CCCC[C@H]21 ZINC001601330372 1017841146 /nfs/dbraw/zinc/84/11/46/1017841146.db2.gz VGDYUUQLUGSFNH-SDDRHHMPSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC001601327866 1017841187 /nfs/dbraw/zinc/84/11/87/1017841187.db2.gz ZXWWARNAPRAMKX-VIFPVBQESA-N -1 0 302.233 -0.744 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NCc1ccc(Cl)cn1 ZINC001601538303 1017861638 /nfs/dbraw/zinc/86/16/38/1017861638.db2.gz XKKNNVSAELHREU-QMMMGPOBSA-N -1 0 303.677 -0.110 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NCC[C@@H]1CNC(=O)C1 ZINC001601340902 1017841290 /nfs/dbraw/zinc/84/12/90/1017841290.db2.gz LHLRGMNBMWGPBB-QMMMGPOBSA-N -1 0 311.294 -0.468 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)Cc1cc(F)ccc1O ZINC001601354528 1017841380 /nfs/dbraw/zinc/84/13/80/1017841380.db2.gz DAYXVKWEWAEMKH-SNVBAGLBSA-N -1 0 308.269 -0.065 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCCNC(=O)Cc1ccc(=O)[nH]c1 ZINC001601356250 1017841708 /nfs/dbraw/zinc/84/17/08/1017841708.db2.gz VMWXRCNABMIIHB-WDEREUQCSA-N -1 0 321.333 -0.327 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC001601355834 1017841819 /nfs/dbraw/zinc/84/18/19/1017841819.db2.gz IACKVXLUDVNEGO-CQSZACIVSA-N -1 0 317.305 -0.747 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CSCC(=O)N2CCCCC2)C1 ZINC001601348343 1017841871 /nfs/dbraw/zinc/84/18/71/1017841871.db2.gz KUXNQUZKTMZPSP-UHFFFAOYSA-N -1 0 316.379 -0.610 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N[C@H](CO)CN2CCOCC2)cc1 ZINC001601355408 1017841917 /nfs/dbraw/zinc/84/19/17/1017841917.db2.gz LOHRUQZRDYNRQO-AWEZNQCLSA-N -1 0 322.361 -0.263 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC001601343979 1017841973 /nfs/dbraw/zinc/84/19/73/1017841973.db2.gz IDEPLZGZWNGXOE-LBPRGKRZSA-N -1 0 322.317 -0.024 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)Cc2ccc(-n3cnnc3)cc2)C1 ZINC001601354444 1017842101 /nfs/dbraw/zinc/84/21/01/1017842101.db2.gz GAOIZJYJYQPWBX-OAHLLOKOSA-N -1 0 316.317 -0.142 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N[C@@H](CO)CN2CCOCC2)cn1 ZINC001601358710 1017842230 /nfs/dbraw/zinc/84/22/30/1017842230.db2.gz YNJFFRFRRBRLLA-GFCCVEGCSA-N -1 0 323.349 -0.868 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)Cc1cn2ccccc2n1 ZINC001601372226 1017842473 /nfs/dbraw/zinc/84/24/73/1017842473.db2.gz AMJXHZANHUSRMJ-LLVKDONJSA-N -1 0 314.305 -0.262 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)Cc1ccccc1N1CCCC1=O ZINC001601369054 1017842636 /nfs/dbraw/zinc/84/26/36/1017842636.db2.gz CBDWETHYUXBBKO-NSHDSACASA-N -1 0 306.318 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2ccco2)C1 ZINC001601370729 1017842713 /nfs/dbraw/zinc/84/27/13/1017842713.db2.gz ZNPSJSSIKPRCAG-GHMZBOCLSA-N -1 0 322.317 -0.768 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)Cc1cc[nH]c(=O)c1Br ZINC001601370762 1017842765 /nfs/dbraw/zinc/84/27/65/1017842765.db2.gz BRANAZXSZVDPOK-ZCFIWIBFSA-N -1 0 319.111 -0.346 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)Cc3cc[nH]n3)C2)n1 ZINC001601370743 1017842824 /nfs/dbraw/zinc/84/28/24/1017842824.db2.gz ARMRYRMYVHTDAV-SNVBAGLBSA-N -1 0 316.321 -0.165 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)Cc2ccc[nH]2)n1 ZINC001601362842 1017842830 /nfs/dbraw/zinc/84/28/30/1017842830.db2.gz CQWMIHJIQPZTAY-SNVBAGLBSA-N -1 0 319.321 -0.944 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 ZINC001601370798 1017842880 /nfs/dbraw/zinc/84/28/80/1017842880.db2.gz DMRCAMCQBXBBEG-OQEOFVATSA-N -1 0 318.333 -0.754 20 0 DBADRM O=C(Cc1c[nH]cn1)NCCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC001601372325 1017842930 /nfs/dbraw/zinc/84/29/30/1017842930.db2.gz MWTREVWHUFIVPQ-NEPJUHHUSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCCNC(=O)Cc1cccnc1 ZINC001601369782 1017843075 /nfs/dbraw/zinc/84/30/75/1017843075.db2.gz JHZRLHBGZRSKLJ-NEPJUHHUSA-N -1 0 305.334 -0.033 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)Cc1ccccc1N1CCCC1=O ZINC001601369042 1017843420 /nfs/dbraw/zinc/84/34/20/1017843420.db2.gz AWRMMFWDCWNCLV-LBPRGKRZSA-N -1 0 306.318 -0.082 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Cc2nnc(-c3ccccc3)o2)C1 ZINC001601377113 1017843700 /nfs/dbraw/zinc/84/37/00/1017843700.db2.gz KCUSKTNWYXHDNI-UHFFFAOYSA-N -1 0 303.274 -0.063 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 ZINC001601377156 1017843706 /nfs/dbraw/zinc/84/37/06/1017843706.db2.gz NMKABYDOWOVIGK-PSASIEDQSA-N -1 0 317.301 -0.061 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NC(=O)Cc2nc3ncccn3n2)[C@H]2C[C@H]21 ZINC001601376501 1017843950 /nfs/dbraw/zinc/84/39/50/1017843950.db2.gz VCJZAPBVSSZVAC-RGOKHQFPSA-N -1 0 301.306 -0.108 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)Cc2ncc[nH]2)CCC1 ZINC001601376544 1017843991 /nfs/dbraw/zinc/84/39/91/1017843991.db2.gz WAKDKBDVBIHRDP-UWVGGRQHSA-N -1 0 320.349 -0.172 20 0 DBADRM O=C([O-])C12CC(C(=O)Nc3cnn(CC(=O)NCCO)c3)(C1)C2 ZINC001601383339 1017844873 /nfs/dbraw/zinc/84/48/73/1017844873.db2.gz NMTIZYWXPJCPDO-UHFFFAOYSA-N -1 0 322.321 -0.815 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001601383895 1017845016 /nfs/dbraw/zinc/84/50/16/1017845016.db2.gz ZPVMOAORYMOXIR-JTQLQIEISA-N -1 0 324.337 -0.122 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNC(=O)Cn1cc(C2CC2)cn1 ZINC001601383418 1017845296 /nfs/dbraw/zinc/84/52/96/1017845296.db2.gz GXDXOPDUIJRLFE-NWDGAFQWSA-N -1 0 320.349 -0.286 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC001601380557 1017845408 /nfs/dbraw/zinc/84/54/08/1017845408.db2.gz YWCZXSNXPWVLBQ-VIFPVBQESA-N -1 0 306.322 -0.292 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@@H]2Cc3ccccc3NC2=O)nn1 ZINC001601381768 1017845532 /nfs/dbraw/zinc/84/55/32/1017845532.db2.gz LTLAPFGFIBYXET-SNVBAGLBSA-N -1 0 315.289 -0.344 20 0 DBADRM O=C([O-])c1cnc(CNC(=O)Cn2ccc(=O)[nH]c2=O)s1 ZINC001601384893 1017845650 /nfs/dbraw/zinc/84/56/50/1017845650.db2.gz XCZIQOMREZSKJW-UHFFFAOYSA-N -1 0 310.291 -0.580 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N[C@@H]2CCCCNC2=O)c1=O ZINC001601387257 1017845886 /nfs/dbraw/zinc/84/58/86/1017845886.db2.gz YDMKRDUUULSLCW-SNVBAGLBSA-N -1 0 307.306 -0.669 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cn2cccn2)C1 ZINC001601389117 1017846025 /nfs/dbraw/zinc/84/60/25/1017846025.db2.gz AXBYHQYOWNWKFP-WRWGMCAJSA-N -1 0 320.349 -0.385 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCCN2CCCC2=O)c1=O ZINC001601387569 1017846067 /nfs/dbraw/zinc/84/60/67/1017846067.db2.gz BZNUNOUDNPVTKP-UHFFFAOYSA-N -1 0 307.306 -0.715 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Cn2ccc3ccccc3c2=O)C1 ZINC001601387253 1017846264 /nfs/dbraw/zinc/84/62/64/1017846264.db2.gz XWIHZFARZOOTBR-UHFFFAOYSA-N -1 0 302.286 -0.341 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cn2cccn2)C1 ZINC001601389116 1017846438 /nfs/dbraw/zinc/84/64/38/1017846438.db2.gz AXBYHQYOWNWKFP-WHOHXGKFSA-N -1 0 320.349 -0.385 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NC[C@@H](O)C(F)(F)F)c1=O ZINC001601388224 1017846532 /nfs/dbraw/zinc/84/65/32/1017846532.db2.gz JYVNQHZUGVKANK-SSDOTTSWSA-N -1 0 308.212 -0.414 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)Cn2cncn2)CCC1 ZINC001601389745 1017846567 /nfs/dbraw/zinc/84/65/67/1017846567.db2.gz SNDKIMGQXSNHOF-VHSXEESVSA-N -1 0 321.337 -0.846 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)Cn1cccn1 ZINC001601389168 1017846626 /nfs/dbraw/zinc/84/66/26/1017846626.db2.gz FPDFRUBLEBUWRV-OIDVMBJGSA-N -1 0 306.322 -0.608 20 0 DBADRM O=C([O-])c1occc1COC(=O)Cn1ncn2nccc2c1=O ZINC001601391567 1017846960 /nfs/dbraw/zinc/84/69/60/1017846960.db2.gz NGZBIQPOKFCBHS-UHFFFAOYSA-N -1 0 318.245 -0.074 20 0 DBADRM O=C([O-])c1ccc(=O)n(CC(=O)NCCCN2CCCC2=O)n1 ZINC001601391463 1017847065 /nfs/dbraw/zinc/84/70/65/1017847065.db2.gz YVMLGGBBWYXLPS-UHFFFAOYSA-N -1 0 322.321 -0.930 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)C3(O)CCCC3)CC2)CCOC1 ZINC001601392286 1017847111 /nfs/dbraw/zinc/84/71/11/1017847111.db2.gz HFIGDWXQTACDEE-AWEZNQCLSA-N -1 0 312.366 -0.321 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001601391267 1017847160 /nfs/dbraw/zinc/84/71/60/1017847160.db2.gz GLHATQHWCPHVLP-NAKRPEOUSA-N -1 0 321.337 -0.990 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)C3(O)CCCC3)CC2)CCOC1 ZINC001601392287 1017847325 /nfs/dbraw/zinc/84/73/25/1017847325.db2.gz HFIGDWXQTACDEE-CQSZACIVSA-N -1 0 312.366 -0.321 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1cc(I)c[nH]1 ZINC001601420826 1017847885 /nfs/dbraw/zinc/84/78/85/1017847885.db2.gz YGXPPLZSAYFATI-ZCFIWIBFSA-N -1 0 324.074 -0.205 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1ccn(C(F)F)n1 ZINC001601428859 1017847966 /nfs/dbraw/zinc/84/79/66/1017847966.db2.gz NBEOJVITVWNQTR-SSDOTTSWSA-N -1 0 300.225 -0.247 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)c1cnc2nccn2c1 ZINC001601425540 1017847989 /nfs/dbraw/zinc/84/79/89/1017847989.db2.gz CPZYBTMSYURISB-JTQLQIEISA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001601429103 1017848139 /nfs/dbraw/zinc/84/81/39/1017848139.db2.gz PWNIWTAOAMQISP-GYIHNLGQSA-N -1 0 322.321 -0.911 20 0 DBADRM O=C([O-])C1(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC(CO)C1 ZINC001601428090 1017848249 /nfs/dbraw/zinc/84/82/49/1017848249.db2.gz RTXRIUWSLLWDST-YWFMTQBDSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001601427410 1017848655 /nfs/dbraw/zinc/84/86/55/1017848655.db2.gz BUEZFDLJQVNZTF-NXEZZACHSA-N -1 0 304.310 -0.693 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@H](CO)CN2CCOCC2)ccn1 ZINC001601421023 1017848682 /nfs/dbraw/zinc/84/86/82/1017848682.db2.gz VFHWMRQTUCTHPR-NSHDSACASA-N -1 0 309.322 -0.797 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)C(=O)N1CC(F)C1 ZINC001601439808 1017848998 /nfs/dbraw/zinc/84/89/98/1017848998.db2.gz DRWFZBNPDGUYPA-MRVPVSSYSA-N -1 0 310.285 -0.287 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CC[C@H](NC(=O)NC3CC3)C2)n1 ZINC001601434478 1017849157 /nfs/dbraw/zinc/84/91/57/1017849157.db2.gz SJIQIPHAONMOLJ-JTQLQIEISA-N -1 0 321.337 -0.565 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001601440615 1017849357 /nfs/dbraw/zinc/84/93/57/1017849357.db2.gz AMWHDDLPAOBMIJ-WDEREUQCSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NC2CC3(CCC3)C2)C1 ZINC001601435862 1017849870 /nfs/dbraw/zinc/84/98/70/1017849870.db2.gz POLRJMHTNDSXLG-ONGXEEELSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)CNC(=O)c2cccnc2)C1 ZINC001601446405 1017850026 /nfs/dbraw/zinc/85/00/26/1017850026.db2.gz MOPDGBZWUCSNSW-MNOVXSKESA-N -1 0 307.306 -0.895 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)CNC(=O)c2ccc(O)cc2)CC1 ZINC001601446838 1017850274 /nfs/dbraw/zinc/85/02/74/1017850274.db2.gz REDZMWYDCWTERO-UHFFFAOYSA-N -1 0 322.317 -0.440 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)CNC(=O)c2cccc(O)c2)C1 ZINC001601446449 1017850362 /nfs/dbraw/zinc/85/03/62/1017850362.db2.gz NHPLTTLHTDUJSG-JQWIXIFHSA-N -1 0 322.317 -0.584 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001601444935 1017850527 /nfs/dbraw/zinc/85/05/27/1017850527.db2.gz VOTCYSLLIPABRK-XHSYRHOGSA-N -1 0 317.363 -0.440 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001601447837 1017850602 /nfs/dbraw/zinc/85/06/02/1017850602.db2.gz KKQPFDYWZGAAML-ZJUUUORDSA-N -1 0 318.333 -0.440 20 0 DBADRM O=C([O-])C1CC2(C1)C[C@H](NC(=O)N[C@@H]1COC[C@H]1O)CCO2 ZINC001601445507 1017850941 /nfs/dbraw/zinc/85/09/41/1017850941.db2.gz BGHHWRGLVWRTLQ-ITNVCBSBSA-N -1 0 314.338 -0.542 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1S(=O)(=O)CC[C@@H]1CCCO1 ZINC001601757400 1017873780 /nfs/dbraw/zinc/87/37/80/1017873780.db2.gz WMHZBOSFZGFDNG-AXFHLTTASA-N -1 0 307.368 -0.205 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)CNC(=O)c1ccncc1 ZINC001601449952 1017851252 /nfs/dbraw/zinc/85/12/52/1017851252.db2.gz RZXMSXYJROJEDZ-CMPLNLGQSA-N -1 0 307.306 -0.752 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CNC(=O)c2cccc(O)c2)CCO1 ZINC001601449031 1017851359 /nfs/dbraw/zinc/85/13/59/1017851359.db2.gz CPDHTXWXCHBYPU-LLVKDONJSA-N -1 0 308.290 -0.566 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C1=CCS(=O)(=O)C1)[C@@H]1CCOC1 ZINC001601451798 1017851767 /nfs/dbraw/zinc/85/17/67/1017851767.db2.gz JRQWBCXQENEXKE-SCZZXKLOSA-N -1 0 303.336 -0.805 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)C(=O)NCC(F)F)C2)nn1 ZINC001601461522 1017851833 /nfs/dbraw/zinc/85/18/33/1017851833.db2.gz ROBUCWDAOFLKBU-LURJTMIESA-N -1 0 317.252 -0.869 20 0 DBADRM O=C([O-])[C@H](CNC(=O)c1ccc2n[nH]nc2n1)[C@@H]1CCOC1 ZINC001601457328 1017851903 /nfs/dbraw/zinc/85/19/03/1017851903.db2.gz SQGCYQJUAZZMBA-HTQZYQBOSA-N -1 0 305.294 -0.180 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ccncn2)CCC1 ZINC001601475434 1017852161 /nfs/dbraw/zinc/85/21/61/1017852161.db2.gz CSCHPOXAOXCVTE-NXEZZACHSA-N -1 0 318.333 -0.034 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ccnnc2)CC1 ZINC001601476608 1017852317 /nfs/dbraw/zinc/85/23/17/1017852317.db2.gz ULJBEJPUGFFCMY-NXEZZACHSA-N -1 0 304.306 -0.424 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2ccnnc2)CC1 ZINC001601476611 1017852384 /nfs/dbraw/zinc/85/23/84/1017852384.db2.gz ULJBEJPUGFFCMY-UWVGGRQHSA-N -1 0 304.306 -0.424 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2cc[nH]c(=O)c2)CC1 ZINC001601475727 1017852538 /nfs/dbraw/zinc/85/25/38/1017852538.db2.gz HMCCCTTXFRSULH-NXEZZACHSA-N -1 0 319.317 -0.114 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)c2cnc3sccn3c2=O)CCOC1 ZINC001601473642 1017852677 /nfs/dbraw/zinc/85/26/77/1017852677.db2.gz VGGDLGJGQOMGET-CYBMUJFWSA-N -1 0 323.330 -0.023 20 0 DBADRM O=C([O-])C1(CNC(=O)C2=NN(CCO)C(=O)CC2)CCCC1 ZINC001601470569 1017853036 /nfs/dbraw/zinc/85/30/36/1017853036.db2.gz ZILMFNRSHSGYQT-UHFFFAOYSA-N -1 0 311.338 -0.282 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC001601468754 1017853093 /nfs/dbraw/zinc/85/30/93/1017853093.db2.gz YVDDHGQBHHFVCC-MNOVXSKESA-N -1 0 319.317 -0.062 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@@H]2COCCO2)n1 ZINC001601487394 1017853198 /nfs/dbraw/zinc/85/31/98/1017853198.db2.gz ASBQEDSGTRZUQX-MRVPVSSYSA-N -1 0 309.278 -0.750 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)C2=CCCC2)C1 ZINC001601478086 1017853207 /nfs/dbraw/zinc/85/32/07/1017853207.db2.gz TUTUWJKWLYCKAI-GHMZBOCLSA-N -1 0 308.334 -0.493 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccncc2)C1 ZINC001601477828 1017853284 /nfs/dbraw/zinc/85/32/84/1017853284.db2.gz PMXUQVAHDSZKJU-QWRGUYRKSA-N -1 0 319.317 -0.895 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)C2CCCC2)C1 ZINC001601477855 1017853297 /nfs/dbraw/zinc/85/32/97/1017853297.db2.gz QLOWZBMSZPVMDZ-MNOVXSKESA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C2=CCCC2)C1 ZINC001601478092 1017853331 /nfs/dbraw/zinc/85/33/31/1017853331.db2.gz TUTUWJKWLYCKAI-QWRGUYRKSA-N -1 0 308.334 -0.493 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)C(=O)NC[C@H]1CCOC1)CC2 ZINC001601486696 1017853363 /nfs/dbraw/zinc/85/33/63/1017853363.db2.gz QBDCHRQCQJDIQT-HFAKWTLXSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@@]2(OCCO)CCOC2)C1 ZINC001601477778 1017853500 /nfs/dbraw/zinc/85/35/00/1017853500.db2.gz MMWVZRRKWSTZTF-SUNKGSAMSA-N -1 0 316.354 -0.293 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2cncnc2)C1 ZINC001601487712 1017853589 /nfs/dbraw/zinc/85/35/89/1017853589.db2.gz HCBYWGJYIROJHU-MNOVXSKESA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001601481522 1017853801 /nfs/dbraw/zinc/85/38/01/1017853801.db2.gz SXYGTVCTLIXTIJ-NAWOPXAZSA-N -1 0 324.377 -0.167 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC001601487812 1017853843 /nfs/dbraw/zinc/85/38/43/1017853843.db2.gz IXZJCRGGMUXBHH-OUAUKWLOSA-N -1 0 314.338 -0.072 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@H]2COCCO2)n1 ZINC001601487395 1017853861 /nfs/dbraw/zinc/85/38/61/1017853861.db2.gz ASBQEDSGTRZUQX-QMMMGPOBSA-N -1 0 309.278 -0.750 20 0 DBADRM O=C([O-])c1nccc(NCC=CCNC(=O)c2ccon2)n1 ZINC001601492089 1017854915 /nfs/dbraw/zinc/85/49/15/1017854915.db2.gz ORVLXIQMUMQVBJ-UPHRSURJSA-N -1 0 303.278 -0.017 20 0 DBADRM O=C([O-])c1nccc(NCC=CCNC(=O)c2ccncn2)n1 ZINC001601490516 1017855058 /nfs/dbraw/zinc/85/50/58/1017855058.db2.gz CQBYCHOVAFPQPE-OWOJBTEDSA-N -1 0 314.305 -0.215 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCCCN1CCCC1=O ZINC001601496676 1017855755 /nfs/dbraw/zinc/85/57/55/1017855755.db2.gz DDOVIMPJSXEHQB-ZYHUDNBSSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NCCN1CCC2(C1)OCCO2 ZINC001601502343 1017855955 /nfs/dbraw/zinc/85/59/55/1017855955.db2.gz FPQYWEKCJVJAMN-GHMZBOCLSA-N -1 0 313.354 -0.545 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCCNC(=O)c1csc(=O)[nH]1 ZINC001601498804 1017856343 /nfs/dbraw/zinc/85/63/43/1017856343.db2.gz LMXYBWGFYXYDEY-RQJHMYQMSA-N -1 0 313.335 -0.195 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCCN2CCCC2=O)nn1 ZINC001601497483 1017856350 /nfs/dbraw/zinc/85/63/50/1017856350.db2.gz RNUGVUOGJCPDPQ-UHFFFAOYSA-N -1 0 324.341 -0.712 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)c2csnn2)n1 ZINC001601499974 1017856421 /nfs/dbraw/zinc/85/64/21/1017856421.db2.gz PNPCAZHHGYDSBP-UHFFFAOYSA-N -1 0 308.323 -0.320 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNC(=O)c1cnc(C2CC2)nc1 ZINC001601503562 1017856512 /nfs/dbraw/zinc/85/65/12/1017856512.db2.gz NKCKTBXQIUKIBC-QWRGUYRKSA-N -1 0 318.333 -0.079 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)NCCN3CCNC3=O)[C@@H]2C1 ZINC001601502688 1017856695 /nfs/dbraw/zinc/85/66/95/1017856695.db2.gz OFPJEONEDDIJPH-DBIOUOCHSA-N -1 0 310.354 -0.190 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCCOC[C@H]1CCCO1 ZINC001601505156 1017856719 /nfs/dbraw/zinc/85/67/19/1017856719.db2.gz COIUMXFKSAWJJT-IJLUTSLNSA-N -1 0 316.354 -0.029 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNC(=O)C(=O)Nc1ccccc1 ZINC001601504653 1017856900 /nfs/dbraw/zinc/85/69/00/1017856900.db2.gz YKBZVYMYCXWCGE-QWRGUYRKSA-N -1 0 319.317 -0.422 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNC(=O)c1cn(CC2CC2)nn1 ZINC001601503053 1017857055 /nfs/dbraw/zinc/85/70/55/1017857055.db2.gz FAWBURZDYXBAIV-ZJUUUORDSA-N -1 0 321.337 -0.745 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNC(=O)c1cn2ccccc2n1 ZINC001601504044 1017857213 /nfs/dbraw/zinc/85/72/13/1017857213.db2.gz RDDNAWIBBJALRG-ZJUUUORDSA-N -1 0 316.317 -0.099 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)NCCOCCCO)c1 ZINC001601505713 1017857254 /nfs/dbraw/zinc/85/72/54/1017857254.db2.gz QYZACRVUBJSIBJ-UHFFFAOYSA-N -1 0 316.335 -0.100 20 0 DBADRM O=C(NCCNC(=O)c1ccco1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001601504451 1017857389 /nfs/dbraw/zinc/85/73/89/1017857389.db2.gz VAYDUIFWYQOBHI-KYZUINATSA-N -1 0 323.305 -0.895 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)C1CN(C(=O)C2CCCCC2)C1 ZINC001601510051 1017857599 /nfs/dbraw/zinc/85/75/99/1017857599.db2.gz TVWSCBLBWDEGBT-LBPRGKRZSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)nn1 ZINC001601517110 1017857706 /nfs/dbraw/zinc/85/77/06/1017857706.db2.gz ASOSOSMCZBNSLM-QMMMGPOBSA-N -1 0 322.325 -0.961 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCC[S@@](=O)CC(F)(F)F)C1 ZINC001601507591 1017857726 /nfs/dbraw/zinc/85/77/26/1017857726.db2.gz RQQLTPMKQARITK-HXUWFJFHSA-N -1 0 318.273 -0.862 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC001601508391 1017857762 /nfs/dbraw/zinc/85/77/62/1017857762.db2.gz MYGMYHGZAPZXDB-JTQLQIEISA-N -1 0 307.306 -0.005 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(=O)NCCn1cccn1)C2 ZINC001601518365 1017857772 /nfs/dbraw/zinc/85/77/72/1017857772.db2.gz UNMXQPSZQUKNLA-NHYWBVRUSA-N -1 0 320.349 -0.287 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NCCc2ccccn2)C1 ZINC001601515119 1017857969 /nfs/dbraw/zinc/85/79/69/1017857969.db2.gz SQKJFEXLPNAHKN-JQWIXIFHSA-N -1 0 321.333 -0.966 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(C(=O)C(=O)NCCn1cccn1)CC2 ZINC001601517668 1017858015 /nfs/dbraw/zinc/85/80/15/1017858015.db2.gz GENGDLZTYHNLAK-LLVKDONJSA-N -1 0 320.349 -0.287 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2ccns2)CCO1 ZINC001601513247 1017858097 /nfs/dbraw/zinc/85/80/97/1017858097.db2.gz LQDIUBJCXFSHID-VIFPVBQESA-N -1 0 313.335 -0.886 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@H]2COC3(CCC3)C2)nn1 ZINC001601517760 1017858233 /nfs/dbraw/zinc/85/82/33/1017858233.db2.gz LEQIKNQINGVYKJ-SECBINFHSA-N -1 0 309.326 -0.013 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CC(F)(F)C1 ZINC001601522964 1017858944 /nfs/dbraw/zinc/85/89/44/1017858944.db2.gz OUTNGJSUPVGLIK-HTRCEHHLSA-N -1 0 306.265 -0.494 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC001601519924 1017859289 /nfs/dbraw/zinc/85/92/89/1017859289.db2.gz JPNXZGTXWPEJKM-LPEHRKFASA-N -1 0 302.302 -0.543 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC001601523024 1017859981 /nfs/dbraw/zinc/85/99/81/1017859981.db2.gz SUFJETPGOFCGJR-GWOFURMSSA-N -1 0 316.329 -0.011 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CO)C1CCOCC1 ZINC001601524382 1017860109 /nfs/dbraw/zinc/86/01/09/1017860109.db2.gz XZNBINKETLEADJ-GRYCIOLGSA-N -1 0 316.354 -0.437 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2ccncn2)C1 ZINC001601525163 1017860479 /nfs/dbraw/zinc/86/04/79/1017860479.db2.gz DOIFYOXFYVEDQL-VLEAKVRGSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCc2cn3ccsc3n2)C1 ZINC001601546060 1017860852 /nfs/dbraw/zinc/86/08/52/1017860852.db2.gz CFVUFIUSFZINHF-MRVPVSSYSA-N -1 0 322.346 -0.055 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCS(=O)(=O)CC2)C1(F)F ZINC001601530247 1017861492 /nfs/dbraw/zinc/86/14/92/1017861492.db2.gz WKZOXVWYYAGUQV-YUMQZZPRSA-N -1 0 311.306 -0.107 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)NCc2ccoc2)CC1 ZINC001601547027 1017861710 /nfs/dbraw/zinc/86/17/10/1017861710.db2.gz RDGMWYNZILYEKL-LLVKDONJSA-N -1 0 310.306 -0.420 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC001601572583 1017861995 /nfs/dbraw/zinc/86/19/95/1017861995.db2.gz JONQNWCQUAFLJD-ISOBSLSZSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)C1 ZINC001601572648 1017862153 /nfs/dbraw/zinc/86/21/53/1017862153.db2.gz QHHBTKIFVPBQAT-VVJJBPBLSA-N -1 0 319.317 -0.063 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001601572700 1017862177 /nfs/dbraw/zinc/86/21/77/1017862177.db2.gz VENWVZHBEFQZJF-OUAUKWLOSA-N -1 0 321.337 -0.579 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001601568678 1017862368 /nfs/dbraw/zinc/86/23/68/1017862368.db2.gz ZOPPHCOIHDGVMX-SECBINFHSA-N -1 0 316.277 -0.416 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001601568427 1017862498 /nfs/dbraw/zinc/86/24/98/1017862498.db2.gz QZGJQAHSROFNKV-PSASIEDQSA-N -1 0 304.310 -0.624 20 0 DBADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)C(=O)N[C@H]1CNOC1)C2 ZINC001601571606 1017862776 /nfs/dbraw/zinc/86/27/76/1017862776.db2.gz WOFWUSNHRCFRIA-LBPRGKRZSA-N -1 0 319.317 -0.711 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC001601571326 1017862821 /nfs/dbraw/zinc/86/28/21/1017862821.db2.gz FQBICIVZHSDNQV-SFYZADRCSA-N -1 0 303.274 -0.191 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)N1CC[C@@](O)(C3CC3)C1)C2 ZINC001601573314 1017862938 /nfs/dbraw/zinc/86/29/38/1017862938.db2.gz FOHGHHVFTQMIBX-OVTCNUJSSA-N -1 0 322.361 -0.271 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2cnccn2)C1 ZINC001601574716 1017863189 /nfs/dbraw/zinc/86/31/89/1017863189.db2.gz ZBUIXAVMSMAJOM-ZRUFSTJUSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1F ZINC001601596183 1017863682 /nfs/dbraw/zinc/86/36/82/1017863682.db2.gz LQRGHSNVIAMNRP-IJLUTSLNSA-N -1 0 311.265 -0.125 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2ccnnc2)C1 ZINC001601578253 1017863834 /nfs/dbraw/zinc/86/38/34/1017863834.db2.gz WACBSODADDGUPN-PDEGPIFNSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnn1 ZINC001601579462 1017863970 /nfs/dbraw/zinc/86/39/70/1017863970.db2.gz WLXJHLYXQIDRAO-OFKSJOQMSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnco1 ZINC001601579475 1017864372 /nfs/dbraw/zinc/86/43/72/1017864372.db2.gz WQLGJWAHTQHNJD-BIIVNPBRSA-N -1 0 305.290 -0.418 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001601649612 1017865071 /nfs/dbraw/zinc/86/50/71/1017865071.db2.gz LDQOYNVBNGZWQX-VWYCJHECSA-N -1 0 304.318 -0.595 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)C1(CO)CCOCC1 ZINC001601646388 1017865284 /nfs/dbraw/zinc/86/52/84/1017865284.db2.gz SWDZPFNVTTWJFL-SECBINFHSA-N -1 0 303.311 -0.892 20 0 DBADRM O=C([O-])[C@@H](CNS(=O)(=O)CCn1cccn1)[C@H]1CCOC1 ZINC001601654233 1017865300 /nfs/dbraw/zinc/86/53/00/1017865300.db2.gz ZNWJVKRWFGYMGG-QWRGUYRKSA-N -1 0 317.367 -0.460 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC001601656317 1017865477 /nfs/dbraw/zinc/86/54/77/1017865477.db2.gz CWMUCJZBMBGDAF-NSHDSACASA-N -1 0 323.330 -0.133 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NS(=O)(=O)CC1CCOCC1 ZINC001601645100 1017865584 /nfs/dbraw/zinc/86/55/84/1017865584.db2.gz KUSXIIHIYKVIEG-JTQLQIEISA-N -1 0 323.367 -0.451 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@H]1CSCCS1 ZINC001601663002 1017865911 /nfs/dbraw/zinc/86/59/11/1017865911.db2.gz MUPXQVCXXUXKQV-JGVFFNPUSA-N -1 0 302.381 -0.304 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001601662201 1017866096 /nfs/dbraw/zinc/86/60/96/1017866096.db2.gz GUKPJEDWHFEISM-GZMMTYOYSA-N -1 0 304.310 -0.309 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC001601657367 1017866329 /nfs/dbraw/zinc/86/63/29/1017866329.db2.gz YPYZQLPZSDOAQS-SRVKXCTJSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC001601677896 1017866391 /nfs/dbraw/zinc/86/63/91/1017866391.db2.gz SMHTVTIUGAWVBG-GXSJLCMTSA-N -1 0 302.352 -0.468 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001601686237 1017867252 /nfs/dbraw/zinc/86/72/52/1017867252.db2.gz ZBSBSSVYDHZWLO-WUHRBBMRSA-N -1 0 313.350 -0.278 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001601684827 1017867327 /nfs/dbraw/zinc/86/73/27/1017867327.db2.gz VZRRUSVOTXMFMG-MWLCHTKSSA-N -1 0 324.337 -0.770 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@]2(CO)COCCN2)CC2(CCC2)C1 ZINC001601700460 1017867485 /nfs/dbraw/zinc/86/74/85/1017867485.db2.gz UIUMVBSKNLISEN-CQSZACIVSA-N -1 0 312.366 -0.511 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2C[C@@H]3COC[C@H](C2)O3)CCC1 ZINC001601710395 1017867515 /nfs/dbraw/zinc/86/75/15/1017867515.db2.gz SPLHDKMTWGFGJC-AOOOYVTPSA-N -1 0 305.352 -0.329 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001601685384 1017867647 /nfs/dbraw/zinc/86/76/47/1017867647.db2.gz RNHUVMCODHOCAX-SNVBAGLBSA-N -1 0 304.324 -0.338 20 0 DBADRM O=C([O-])C1(C2(O)CCN(S(=O)(=O)C3COC3)CC2)CCC1 ZINC001601707042 1017867709 /nfs/dbraw/zinc/86/77/09/1017867709.db2.gz DNQHZDWYAHETJL-UHFFFAOYSA-N -1 0 319.379 -0.203 20 0 DBADRM O=C([O-])[C@]1(CNS(=O)(=O)C[C@H]2CCCOC2)CCOC1 ZINC001601711273 1017867862 /nfs/dbraw/zinc/86/78/62/1017867862.db2.gz NXAANRYRXMDXAU-JQWIXIFHSA-N -1 0 307.368 -0.176 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)[C@H]2CCCc3nn[nH]c32)CC1 ZINC001601682585 1017868060 /nfs/dbraw/zinc/86/80/60/1017868060.db2.gz KHTVUZCOHHSTIP-JOYOIKCWSA-N -1 0 308.338 -0.091 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001601684826 1017868079 /nfs/dbraw/zinc/86/80/79/1017868079.db2.gz VZRRUSVOTXMFMG-KOLCDFICSA-N -1 0 324.337 -0.770 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCn2cnnn2)CCCC1 ZINC001601716114 1017868301 /nfs/dbraw/zinc/86/83/01/1017868301.db2.gz LDEVQAJRDAOFOW-UHFFFAOYSA-N -1 0 303.344 -0.763 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N[C@@H]2CCOC[C@H]2O)CCCC1 ZINC001601715771 1017868336 /nfs/dbraw/zinc/86/83/36/1017868336.db2.gz DCOMVQMQRMMZIY-NXEZZACHSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC001601714185 1017869008 /nfs/dbraw/zinc/86/90/08/1017869008.db2.gz CIJYADRUHSNBSW-NSHDSACASA-N -1 0 320.411 -0.383 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC001601713366 1017869100 /nfs/dbraw/zinc/86/91/00/1017869100.db2.gz ZPBMVTZWKOPWAJ-JTQLQIEISA-N -1 0 304.368 -0.803 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H](O)[C@@H]2CCCO2)CCC1 ZINC001601712165 1017869243 /nfs/dbraw/zinc/86/92/43/1017869243.db2.gz CBDLYSCWTAMYQG-ZJUUUORDSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCC[C@@H](OCCO)C2)CCC1 ZINC001601725686 1017869684 /nfs/dbraw/zinc/86/96/84/1017869684.db2.gz ZPWWOFQMYHEXJV-SNVBAGLBSA-N -1 0 307.368 -0.203 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCCn3nncc3C2)CCC1 ZINC001601724740 1017869938 /nfs/dbraw/zinc/86/99/38/1017869938.db2.gz MHZJEIDSMIDLEN-UHFFFAOYSA-N -1 0 300.340 -0.179 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)c2cnc3n2CCCC3)CCOC1 ZINC001601724109 1017869959 /nfs/dbraw/zinc/86/99/59/1017869959.db2.gz XAEKSWMTJNBHOT-LBPRGKRZSA-N -1 0 315.351 -0.259 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)N2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC001601726238 1017870062 /nfs/dbraw/zinc/87/00/62/1017870062.db2.gz IXGLDBOQKBRXOT-GHMZBOCLSA-N -1 0 318.395 -0.125 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCC2(N3CCOCC3)CC2)CCC1 ZINC001601724242 1017870094 /nfs/dbraw/zinc/87/00/94/1017870094.db2.gz ACLQJXFVNHPMAH-UHFFFAOYSA-N -1 0 318.395 -0.222 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCC(OCCO)CC2)CCC1 ZINC001601725033 1017870212 /nfs/dbraw/zinc/87/02/12/1017870212.db2.gz QENJIADRCHDBRB-UHFFFAOYSA-N -1 0 307.368 -0.203 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC001601726541 1017870309 /nfs/dbraw/zinc/87/03/09/1017870309.db2.gz RLNXEUJRZRMPQI-NXEZZACHSA-N -1 0 305.352 -0.595 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCCN2CCSCC2)CCC1 ZINC001601724589 1017870383 /nfs/dbraw/zinc/87/03/83/1017870383.db2.gz GWTAPJJMKGBWTJ-UHFFFAOYSA-N -1 0 308.425 -0.038 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CC([C@H]3CCOC3)C2)C1 ZINC001601735665 1017870769 /nfs/dbraw/zinc/87/07/69/1017870769.db2.gz BCVBWTCLZXDJQQ-CMPLNLGQSA-N -1 0 308.334 -0.229 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)[C@]3(O)CCSC3)C2)C1 ZINC001601738815 1017871076 /nfs/dbraw/zinc/87/10/76/1017871076.db2.gz JTLRMZBYRRDPGF-RYUDHWBXSA-N -1 0 300.336 -0.314 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC001601735551 1017871452 /nfs/dbraw/zinc/87/14/52/1017871452.db2.gz SCYYQDRUKUPSAX-DTWKUNHWSA-N -1 0 308.294 -0.895 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)N(CCO)CCOCCO)C1 ZINC001601736690 1017871484 /nfs/dbraw/zinc/87/14/84/1017871484.db2.gz ZKZRUJOKMGYPNU-NSHDSACASA-N -1 0 302.327 -0.827 20 0 DBADRM O=C([O-])C12CC(C(=O)N3CCO[C@@H](Cn4ccnn4)C3)(C1)C2 ZINC001601728582 1017871500 /nfs/dbraw/zinc/87/15/00/1017871500.db2.gz ZTVGHJDEMIDEID-GWMXKSKGSA-N -1 0 306.322 -0.240 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CC([C@@H]3CCOC3)C2)C1 ZINC001601735673 1017871515 /nfs/dbraw/zinc/87/15/15/1017871515.db2.gz BCVBWTCLZXDJQQ-PWSUYJOCSA-N -1 0 308.334 -0.229 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1S(=O)(=O)C[C@H]1CCCCO1 ZINC001601752399 1017871985 /nfs/dbraw/zinc/87/19/85/1017871985.db2.gz JYIJWYPZURUGEH-MXWKQRLJSA-N -1 0 307.368 -0.205 20 0 DBADRM O=C([O-])C1=CC[C@@H](n2nnnc2N2CC(=O)N(C3CC3)C2)C1 ZINC001601740882 1017872383 /nfs/dbraw/zinc/87/23/83/1017872383.db2.gz VDQZUSXQQJWWSS-SNVBAGLBSA-N -1 0 304.310 -0.213 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)CCn3cnccc3=O)C2)C1 ZINC001601743150 1017872395 /nfs/dbraw/zinc/87/23/95/1017872395.db2.gz UBPBHQBCNZLKJK-AWEZNQCLSA-N -1 0 320.305 -0.535 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)COc1ccc(CO)cc1 ZINC001601750494 1017872432 /nfs/dbraw/zinc/87/24/32/1017872432.db2.gz HRTDIYHZRAKNAN-TZMCWYRMSA-N -1 0 309.318 -0.006 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(Cn3nc4ccccn4c3=O)C2)C1 ZINC001601744929 1017872667 /nfs/dbraw/zinc/87/26/67/1017872667.db2.gz SOLVIXPLDGWLCG-CQSZACIVSA-N -1 0 317.305 -0.241 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)COc1ccc(CO)cc1 ZINC001601750489 1017872828 /nfs/dbraw/zinc/87/28/28/1017872828.db2.gz HRTDIYHZRAKNAN-GXTWGEPZSA-N -1 0 309.318 -0.006 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc(-n2cnnn2)cn1 ZINC001601758818 1017873273 /nfs/dbraw/zinc/87/32/73/1017873273.db2.gz UTMQKVXGGDBWMB-QWRGUYRKSA-N -1 0 318.293 -0.893 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1cn(C2CCOCC2)nn1 ZINC001601757876 1017873669 /nfs/dbraw/zinc/87/36/69/1017873669.db2.gz JEYHCONPIFLQPR-NEPJUHHUSA-N -1 0 324.337 -0.320 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCN(C(=O)N3CCCC3)CC2)C1 ZINC001601759370 1017873689 /nfs/dbraw/zinc/87/36/89/1017873689.db2.gz OKNBHYGRVYENHJ-GFCCVEGCSA-N -1 0 324.381 -0.290 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1ccc(-n2ccnc2)nn1 ZINC001601757656 1017873941 /nfs/dbraw/zinc/87/39/41/1017873941.db2.gz HZLRFDAOKIFRSD-ZYHUDNBSSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)N[C@H]2CCc3c[nH]nc3C2)C1 ZINC001601762125 1017874272 /nfs/dbraw/zinc/87/42/72/1017874272.db2.gz KFMQLMUQWNKJRP-VWYCJHECSA-N -1 0 308.338 -0.256 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)Cn2nnc3ccccc32)C1 ZINC001601760969 1017874286 /nfs/dbraw/zinc/87/42/86/1017874286.db2.gz CRKPALQJUGGYNU-UWVGGRQHSA-N -1 0 304.306 -0.275 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)NCCOc2cccnc2)C1 ZINC001601761427 1017874355 /nfs/dbraw/zinc/87/43/55/1017874355.db2.gz GIVHLQGTHFMRKP-WDEREUQCSA-N -1 0 309.322 -0.063 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCc2nnc(C3CC3)[nH]2)C1 ZINC001601764956 1017874607 /nfs/dbraw/zinc/87/46/07/1017874607.db2.gz QYXQRAZUOOUEFY-RKDXNWHRSA-N -1 0 309.326 -0.341 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC[C@@H](F)C2)C1 ZINC001601761051 1017874612 /nfs/dbraw/zinc/87/46/12/1017874612.db2.gz ZBCSIJQINNPGEN-BBBLOLIVSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)NCCOc2cccnc2)C1 ZINC001601761424 1017874647 /nfs/dbraw/zinc/87/46/47/1017874647.db2.gz GIVHLQGTHFMRKP-QWRGUYRKSA-N -1 0 309.322 -0.063 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC23CCCC3)C1 ZINC001601760597 1017875056 /nfs/dbraw/zinc/87/50/56/1017875056.db2.gz QJYJAVPAFPAXAF-MNOVXSKESA-N -1 0 310.350 -0.175 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001601764532 1017875076 /nfs/dbraw/zinc/87/50/76/1017875076.db2.gz HYLCOORZHOKMPI-WCQGTBRESA-N -1 0 305.334 -0.125 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCc2nnc3n2CCCC3)C1 ZINC001601765727 1017875480 /nfs/dbraw/zinc/87/54/80/1017875480.db2.gz UVTISPHRLFBLQV-ZJUUUORDSA-N -1 0 323.353 -0.409 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]3C2)C1 ZINC001601768897 1017875985 /nfs/dbraw/zinc/87/59/85/1017875985.db2.gz XLYXSCJIMUIBFK-USZNOCQGSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)CN2CCN(C3CC3)C2=O)C1 ZINC001601769287 1017876259 /nfs/dbraw/zinc/87/62/59/1017876259.db2.gz YVPZGJZEDQWYDB-MWLCHTKSSA-N -1 0 311.338 -0.820 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC001601772506 1017876620 /nfs/dbraw/zinc/87/66/20/1017876620.db2.gz KONYBYIRPUPEMH-ZDEQEGDKSA-N -1 0 312.366 -0.324 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(Cc2nnn(CC(F)(F)F)n2)C1 ZINC001601770586 1017876715 /nfs/dbraw/zinc/87/67/15/1017876715.db2.gz XTISIXWFUMVDMU-NKWVEPMBSA-N -1 0 309.248 -0.497 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CCO)CCNCc1nccs1 ZINC001601776109 1017876878 /nfs/dbraw/zinc/87/68/78/1017876878.db2.gz SNJJUCMLJRVGRJ-VHSXEESVSA-N -1 0 313.379 -0.226 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCn1cncn1 ZINC001601775492 1017876943 /nfs/dbraw/zinc/87/69/43/1017876943.db2.gz FDTFRCZLDWQISX-YVECIDJPSA-N -1 0 319.365 -0.326 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCO)CCNCc1nncs1 ZINC001601775716 1017877022 /nfs/dbraw/zinc/87/70/22/1017877022.db2.gz JQAGZJUGJNUSRH-RKDXNWHRSA-N -1 0 314.367 -0.831 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N(CCO)CCNCc1cnsn1 ZINC001601775800 1017877031 /nfs/dbraw/zinc/87/70/31/1017877031.db2.gz LGJLDGUHZPYPDA-ZJUUUORDSA-N -1 0 314.367 -0.831 20 0 DBADRM CC[C@@H](CNC(=O)C(C)(C)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001498867083 1017877185 /nfs/dbraw/zinc/87/71/85/1017877185.db2.gz JNXMXAPNBBUPSG-LURJTMIESA-N -1 0 315.305 -0.345 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(CC(=O)N2CCCC2)C1 ZINC001601776866 1017877901 /nfs/dbraw/zinc/87/79/01/1017877901.db2.gz ATMKXBDZNIYSJC-VXGBXAGGSA-N -1 0 309.366 -0.623 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)C1(C2CC2)CC1 ZINC001601776234 1017878062 /nfs/dbraw/zinc/87/80/62/1017878062.db2.gz WNKCSPWKEQLQSV-NWDGAFQWSA-N -1 0 324.377 -0.166 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001601776257 1017878169 /nfs/dbraw/zinc/87/81/69/1017878169.db2.gz XCOOKIHCAVKYNA-IIRVCBMXSA-N -1 0 322.361 -0.557 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001601776523 1017878230 /nfs/dbraw/zinc/87/82/30/1017878230.db2.gz ALZCEFMRJAJNIN-NEPJUHHUSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1=CCN(C(=O)c2cnon2)CC1 ZINC001601777126 1017878306 /nfs/dbraw/zinc/87/83/06/1017878306.db2.gz CZMVVEOPUKMNNX-UWVGGRQHSA-N -1 0 320.305 -0.321 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C(F)F)C[C@@H]2C1 ZINC001601776686 1017878399 /nfs/dbraw/zinc/87/83/99/1017878399.db2.gz DFNZHYOEDXTBTA-XAVMHZPKSA-N -1 0 302.277 -0.111 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001601776576 1017878501 /nfs/dbraw/zinc/87/85/01/1017878501.db2.gz BBVBRXSMADHXMG-DTWKUNHWSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(Cc3cnon3)C[C@H]2C1 ZINC001601776914 1017878529 /nfs/dbraw/zinc/87/85/29/1017878529.db2.gz DVWYLAOEXCCUFY-RBLKWDMZSA-N -1 0 306.322 -0.320 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(Cc2nnnn2C2CC2)CC1 ZINC001601777250 1017879478 /nfs/dbraw/zinc/87/94/78/1017879478.db2.gz HAEGVRGHBBSEGW-MNOVXSKESA-N -1 0 320.353 -0.627 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2ccncn2)CC1 ZINC001601777185 1017879488 /nfs/dbraw/zinc/87/94/88/1017879488.db2.gz DMUAURSOPBQIRF-QWRGUYRKSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2csnn2)CC1 ZINC001601777538 1017879609 /nfs/dbraw/zinc/87/96/09/1017879609.db2.gz FWDIGZWDZZKNDG-IUCAKERBSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(F)ncn3)C[C@H]21 ZINC001601779016 1017880108 /nfs/dbraw/zinc/88/01/08/1017880108.db2.gz GGEOBROGXOWTID-QXDXILDGSA-N -1 0 306.297 -0.113 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001601779636 1017880291 /nfs/dbraw/zinc/88/02/91/1017880291.db2.gz PRTLLNREZJWIBH-DTWKUNHWSA-N -1 0 320.305 -0.813 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)/C=C/C2CC2)C1 ZINC001601778555 1017880400 /nfs/dbraw/zinc/88/04/00/1017880400.db2.gz JCJNIQUJCVGWAQ-MJKAUQOVSA-N -1 0 308.334 -0.637 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001601779637 1017880595 /nfs/dbraw/zinc/88/05/95/1017880595.db2.gz PRTLLNREZJWIBH-IUCAKERBSA-N -1 0 320.305 -0.813 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2n[nH]cc2F)CC1 ZINC001601779481 1017880627 /nfs/dbraw/zinc/88/06/27/1017880627.db2.gz LVJWIZNKKYZERV-RKDXNWHRSA-N -1 0 324.312 -0.010 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(CC(=O)N2CCCCC2)C1 ZINC001601780369 1017881218 /nfs/dbraw/zinc/88/12/18/1017881218.db2.gz KZCSYKPGSSQFKI-OLZOCXBDSA-N -1 0 323.393 -0.232 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2cccnc2)C1 ZINC001601780026 1017881490 /nfs/dbraw/zinc/88/14/90/1017881490.db2.gz KOLFHEDCRNCMTR-RYUDHWBXSA-N -1 0 303.318 -0.010 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)C=C2CCC2)C1 ZINC001601780161 1017881731 /nfs/dbraw/zinc/88/17/31/1017881731.db2.gz RGICIFWNHHQUQC-RYUDHWBXSA-N -1 0 322.361 -0.103 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)Cc2cc[nH]n2)C1 ZINC001601780731 1017881792 /nfs/dbraw/zinc/88/17/92/1017881792.db2.gz MPTAZGZXXDDEIW-GHMZBOCLSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)c2ccco2)C1 ZINC001601781115 1017882071 /nfs/dbraw/zinc/88/20/71/1017882071.db2.gz UJZQAVLWVVOVJN-NXEZZACHSA-N -1 0 322.317 -0.307 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(NCc2nnnn2C2CC2)CC1 ZINC001601781941 1017882813 /nfs/dbraw/zinc/88/28/13/1017882813.db2.gz UKWHPQWUGOMNOI-VHSXEESVSA-N -1 0 320.353 -0.533 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1nc(CNCCF)cc(=O)[nH]1 ZINC001601783222 1017882880 /nfs/dbraw/zinc/88/28/80/1017882880.db2.gz SNKJAZYPQXRYJT-RKDXNWHRSA-N -1 0 312.301 -0.422 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCOC2(CN(C(=O)C3CCC3)C2)C1 ZINC001601782267 1017882922 /nfs/dbraw/zinc/88/29/22/1017882922.db2.gz XYJHOXAPKBOPAD-NEPJUHHUSA-N -1 0 322.361 -0.053 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(CC(=O)N2CCCCC2)C1 ZINC001601781733 1017882952 /nfs/dbraw/zinc/88/29/52/1017882952.db2.gz STUTZCGRXQHWDN-RYUDHWBXSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CCN(C(=O)C2CCC2)CC1 ZINC001601782371 1017883059 /nfs/dbraw/zinc/88/30/59/1017883059.db2.gz UWMUMRKMLGPIOR-VXGBXAGGSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)C2=COCCO2)CC1 ZINC001601781756 1017883310 /nfs/dbraw/zinc/88/33/10/1017883310.db2.gz SXLANGQHLALXTM-WDEREUQCSA-N -1 0 324.333 -0.298 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CCN(C(=O)C2CCC2)CC1 ZINC001601782366 1017883421 /nfs/dbraw/zinc/88/34/21/1017883421.db2.gz UWMUMRKMLGPIOR-NWDGAFQWSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cc3n(n2)CCC3)C1 ZINC001601784554 1017883758 /nfs/dbraw/zinc/88/37/58/1017883758.db2.gz ZJMMADINRCUZGF-GHMZBOCLSA-N -1 0 318.333 -0.509 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2c[nH]nc2C2CC2)C1 ZINC001601784481 1017883841 /nfs/dbraw/zinc/88/38/41/1017883841.db2.gz YOWNKHXKXODODW-VHSXEESVSA-N -1 0 318.333 -0.052 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2ccncn2)C1 ZINC001601784321 1017883870 /nfs/dbraw/zinc/88/38/70/1017883870.db2.gz VEWCXJKWJLADQC-UWVGGRQHSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2n[nH]cc2F)C1 ZINC001601784875 1017884043 /nfs/dbraw/zinc/88/40/43/1017884043.db2.gz WFRDWAZKTGLBHI-HTQZYQBOSA-N -1 0 310.285 -0.542 20 0 DBADRM O=C([O-])C1CCC(S(=O)(=O)N[C@@H](CO)[C@H]2CCOC2)CC1 ZINC001601799481 1017884120 /nfs/dbraw/zinc/88/41/20/1017884120.db2.gz QGIRDKHMFNIVBA-ADPBJBESSA-N -1 0 321.395 -0.053 20 0 DBADRM O=C([O-])C1CCC2(CC1)NC(=O)N(CCn1cncn1)C2=O ZINC001601796971 1017884151 /nfs/dbraw/zinc/88/41/51/1017884151.db2.gz ATWGUKGXKACISB-UHFFFAOYSA-N -1 0 307.310 -0.157 20 0 DBADRM O=C([O-])C1CCC(S(=O)(=O)N2C[C@H](CO)[C@H](CO)C2)CC1 ZINC001601799928 1017884316 /nfs/dbraw/zinc/88/43/16/1017884316.db2.gz WEDKUFZEMRRCES-WSVSKBAQSA-N -1 0 321.395 -0.508 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]2C(=O)N(CCCn3ccnn3)C(=O)N2C1 ZINC001601797291 1017884411 /nfs/dbraw/zinc/88/44/11/1017884411.db2.gz GLWQNZCBNBVQKA-NXEZZACHSA-N -1 0 307.310 -0.204 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@@H]3OCC[C@@H]3C2)C1=O ZINC001601816775 1017884789 /nfs/dbraw/zinc/88/47/89/1017884789.db2.gz INEGSQBYMMFGKC-UTUOFQBUSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC001601813294 1017884902 /nfs/dbraw/zinc/88/49/02/1017884902.db2.gz XOGOTLMTBLAGML-YFKTTZPYSA-N -1 0 321.395 -0.508 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC[C@H](O)C(F)(F)C2)C1=O ZINC001601817405 1017884925 /nfs/dbraw/zinc/88/49/25/1017884925.db2.gz FFBISVIOSMRMKI-IUCAKERBSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)NCCN1CCOCC1 ZINC001601808967 1017885168 /nfs/dbraw/zinc/88/51/68/1017885168.db2.gz CVJKUGYFFRLWPC-NEPJUHHUSA-N -1 0 320.411 -0.119 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC[C@H](c3ncon3)C2)C1=O ZINC001601816934 1017885296 /nfs/dbraw/zinc/88/52/96/1017885296.db2.gz COFBGCYSEYLDFI-UWVGGRQHSA-N -1 0 322.321 -0.291 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H]([C@H]2CCCO2)C1 ZINC001601820546 1017885754 /nfs/dbraw/zinc/88/57/54/1017885754.db2.gz PPLXZIPFQYFMTP-WISYIIOYSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC[C@]3(CCOC3)C2)C1=O ZINC001601818129 1017886057 /nfs/dbraw/zinc/88/60/57/1017886057.db2.gz JFICYAFOVRRLBZ-NHYWBVRUSA-N -1 0 310.350 -0.051 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCn3nccc3C2)C1=O ZINC001601818463 1017886062 /nfs/dbraw/zinc/88/60/62/1017886062.db2.gz SJVXYRNBPYELHX-LLVKDONJSA-N -1 0 306.322 -0.452 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@@H](O)[C@H](F)C2)CC1 ZINC001601819569 1017886182 /nfs/dbraw/zinc/88/61/82/1017886182.db2.gz DZQOPYMERFQRCY-NXEZZACHSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@H](O)[C@H](F)C2)CC1 ZINC001601819572 1017886266 /nfs/dbraw/zinc/88/62/66/1017886266.db2.gz DZQOPYMERFQRCY-ZJUUUORDSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001601823879 1017886993 /nfs/dbraw/zinc/88/69/93/1017886993.db2.gz LQBYDHYZCBZTJB-UWVGGRQHSA-N -1 0 304.368 -0.073 20 0 DBADRM O=C([O-])[C@H]1CCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC001601832880 1017887119 /nfs/dbraw/zinc/88/71/19/1017887119.db2.gz ASBHHHNCWCGRQA-SECBINFHSA-N -1 0 309.322 -0.073 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCOC[C@@]23CCOC3)CC1 ZINC001601823469 1017887293 /nfs/dbraw/zinc/88/72/93/1017887293.db2.gz QPOCEXDSLAEPMW-HNNXBMFYSA-N -1 0 312.366 -0.199 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCC[C@H](O)C2CC2)CC1 ZINC001601830316 1017887494 /nfs/dbraw/zinc/88/74/94/1017887494.db2.gz UOYJRRLAKIZKQD-NSHDSACASA-N -1 0 306.384 -0.222 20 0 DBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)CCCN2CCOCC2)C1 ZINC001601829549 1017887553 /nfs/dbraw/zinc/88/75/53/1017887553.db2.gz RWFDGVSXHZGUGR-LLVKDONJSA-N -1 0 306.384 -0.555 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N(CCO[C@@H]3CCOC3)C(=O)[C@H]2C1 ZINC001601838973 1017887643 /nfs/dbraw/zinc/88/76/43/1017887643.db2.gz AVUAKUNNVNEUMO-GMTAPVOTSA-N -1 0 312.322 -0.081 20 0 DBADRM O=C([O-])[C@@H]1CCS(=O)(=O)N1CC(=O)N1CCCCCC1 ZINC001601837583 1017887662 /nfs/dbraw/zinc/88/76/62/1017887662.db2.gz IJDMHLVNPFUODZ-JTQLQIEISA-N -1 0 304.368 -0.122 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N(CC[C@@]3(O)CCOC3)C(=O)[C@H]2C1 ZINC001601842963 1017887985 /nfs/dbraw/zinc/88/79/85/1017887985.db2.gz QSALCLMSZRGBMH-GPCCPHFNSA-N -1 0 312.322 -0.345 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2CCOC(F)(F)F)CCO1 ZINC001601849514 1017888178 /nfs/dbraw/zinc/88/81/78/1017888178.db2.gz ICZYFKTZWHEZAA-LURJTMIESA-N -1 0 311.220 -0.501 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccn(CCn3cccn3)n2)CCO1 ZINC001601846977 1017888203 /nfs/dbraw/zinc/88/82/03/1017888203.db2.gz ZXOACKRZNFNQGC-GFCCVEGCSA-N -1 0 319.321 -0.295 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Cn2nc3n(c2=O)CCCCC3)CCO1 ZINC001601844044 1017888547 /nfs/dbraw/zinc/88/85/47/1017888547.db2.gz GXHKEBUSEMLODZ-SNVBAGLBSA-N -1 0 324.337 -0.917 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CN2C(=O)Cc3ccccc32)CCO1 ZINC001601843442 1017888650 /nfs/dbraw/zinc/88/86/50/1017888650.db2.gz URKLRVQEWIOKHZ-GFCCVEGCSA-N -1 0 304.302 -0.112 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2CCOC(F)(F)F)CCO1 ZINC001601849516 1017888693 /nfs/dbraw/zinc/88/86/93/1017888693.db2.gz ICZYFKTZWHEZAA-ZCFIWIBFSA-N -1 0 311.220 -0.501 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2CCC[C@@H]2CCOC2)CCO1 ZINC001601850968 1017888715 /nfs/dbraw/zinc/88/87/15/1017888715.db2.gz SGUXETITIYPFEN-GHMZBOCLSA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(C2CC2)on1 ZINC001601854013 1017889240 /nfs/dbraw/zinc/88/92/40/1017889240.db2.gz LDGKMYLHRACUCN-SECBINFHSA-N -1 0 314.319 -0.124 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCCCS1 ZINC001601853767 1017889625 /nfs/dbraw/zinc/88/96/25/1017889625.db2.gz QOHFRAACTKMWJZ-IUCAKERBSA-N -1 0 307.393 -0.018 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@@H]1CCCOC1 ZINC001601853736 1017889751 /nfs/dbraw/zinc/88/97/51/1017889751.db2.gz MROUTQIMQHHHBS-UWVGGRQHSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H](O)c1ccccc1 ZINC001601854101 1017889832 /nfs/dbraw/zinc/88/98/32/1017889832.db2.gz PEFBWLIMFGYVQF-MNOVXSKESA-N -1 0 313.331 -0.570 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001601852134 1017889879 /nfs/dbraw/zinc/88/98/79/1017889879.db2.gz XITABEDVXDFKBX-VHSXEESVSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C/C1CCOCC1 ZINC001601853837 1017889927 /nfs/dbraw/zinc/88/99/27/1017889927.db2.gz YPULEHRWFCETPV-GXFZAYBSSA-N -1 0 317.363 -0.321 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ocnc1C(F)F ZINC001601854294 1017890262 /nfs/dbraw/zinc/89/02/62/1017890262.db2.gz AGXURLJENDGJGY-YFKPBYRVSA-N -1 0 324.261 -0.064 20 0 DBADRM O=C([O-])C[C@H](NC(=O)Cn1nc2n(c1=O)CCCC2)C1CC1 ZINC001601901849 1017891127 /nfs/dbraw/zinc/89/11/27/1017891127.db2.gz KAJQIEOQVSIXCL-JTQLQIEISA-N -1 0 308.338 -0.249 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)C(=O)N1CCN(C2CC2)CC1)C1CC1 ZINC001601891436 1017891149 /nfs/dbraw/zinc/89/11/49/1017891149.db2.gz KSGHFZXYQGYSCL-GFCCVEGCSA-N -1 0 323.393 -0.090 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC001601908148 1017891169 /nfs/dbraw/zinc/89/11/69/1017891169.db2.gz ATDYPNMCEMCDOK-YFKPBYRVSA-N -1 0 320.223 -0.006 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)CN1CCS(=O)(=O)CC1)C1CC1 ZINC001601892916 1017891250 /nfs/dbraw/zinc/89/12/50/1017891250.db2.gz MIALOFSOYAHZQH-NSHDSACASA-N -1 0 318.395 -0.666 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Cn1nnc(-c2ccccc2)n1 ZINC001601911923 1017891922 /nfs/dbraw/zinc/89/19/22/1017891922.db2.gz NJVYGEHZBXWUMO-SNVBAGLBSA-N -1 0 305.294 -0.708 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)[C@@H]1CCCN1Cc1ccccn1 ZINC001601909904 1017892056 /nfs/dbraw/zinc/89/20/56/1017892056.db2.gz JSKOOCIMGFMKTH-STQMWFEESA-N -1 0 307.350 -0.002 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)CCn1cc(Br)cn1 ZINC001601911188 1017892313 /nfs/dbraw/zinc/89/23/13/1017892313.db2.gz WLGNRKHJBMBRTM-QMMMGPOBSA-N -1 0 320.143 -0.013 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 ZINC001601912447 1017892425 /nfs/dbraw/zinc/89/24/25/1017892425.db2.gz WEDLQGGLQVMHSJ-MRVPVSSYSA-N -1 0 321.289 -0.946 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1cc(F)ccc1F ZINC001601909693 1017892486 /nfs/dbraw/zinc/89/24/86/1017892486.db2.gz UHEAOAQPXNUBML-ZETCQYMHSA-N -1 0 302.233 -0.145 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)c1ccc(Cn2cncn2)cc1 ZINC001601910804 1017892554 /nfs/dbraw/zinc/89/25/54/1017892554.db2.gz NQFTUNGYRZPKQR-LBPRGKRZSA-N -1 0 304.306 -0.108 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)[C@@H]1CCCN1Cc1ccccn1 ZINC001601909902 1017892664 /nfs/dbraw/zinc/89/26/64/1017892664.db2.gz JSKOOCIMGFMKTH-OLZOCXBDSA-N -1 0 307.350 -0.002 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)c1ccc(N2CCOCC2)nc1 ZINC001601911737 1017892803 /nfs/dbraw/zinc/89/28/03/1017892803.db2.gz YYZJFHCNMMRRGQ-LLVKDONJSA-N -1 0 309.322 -0.516 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC001601909731 1017892889 /nfs/dbraw/zinc/89/28/89/1017892889.db2.gz ULRLRFLNRJNTSB-SSDOTTSWSA-N -1 0 302.233 -0.145 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC001601908920 1017892921 /nfs/dbraw/zinc/89/29/21/1017892921.db2.gz LKWSMJXAKUGGKD-VIFPVBQESA-N -1 0 321.289 -0.929 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CCC(O)(CO)CC2)CC1 ZINC001601920925 1017893098 /nfs/dbraw/zinc/89/30/98/1017893098.db2.gz JFKVWRNWLWJXJH-UHFFFAOYSA-N -1 0 307.368 -0.610 20 0 DBADRM O=C([O-])CC1(CC(=O)NCCN2CCNC(=O)C2)CCCC1 ZINC001601913783 1017893189 /nfs/dbraw/zinc/89/31/89/1017893189.db2.gz ZJNXVUXVKPFYBD-UHFFFAOYSA-N -1 0 311.382 -0.040 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CCSC[C@@H]2CO)CC1 ZINC001601921958 1017893206 /nfs/dbraw/zinc/89/32/06/1017893206.db2.gz NPLNYVVULNVOAD-VIFPVBQESA-N -1 0 309.409 -0.019 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)c1ccn(CCn2cccn2)n1 ZINC001601913214 1017893722 /nfs/dbraw/zinc/89/37/22/1017893722.db2.gz YRABDPNTIKUGLN-JTQLQIEISA-N -1 0 307.310 -0.655 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)[C@H]2CCS(=O)(=O)C2)CCCOC1 ZINC001601926147 1017893736 /nfs/dbraw/zinc/89/37/36/1017893736.db2.gz FRKYJVNYWMSJPM-JOYOIKCWSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CCOC1 ZINC001601926334 1017893773 /nfs/dbraw/zinc/89/37/73/1017893773.db2.gz KTVZXUGYFMHKOG-AMIZOPFISA-N -1 0 310.310 -0.704 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@H]2CCOC2)CCS(=O)(=O)CC1 ZINC001601926460 1017893917 /nfs/dbraw/zinc/89/39/17/1017893917.db2.gz RWEOSWKFYAHYAG-VIFPVBQESA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)[C@@H]2CSCC(=O)N2)CCCOC1 ZINC001601930915 1017894137 /nfs/dbraw/zinc/89/41/37/1017894137.db2.gz WAAYZWCHRMJILT-QPUJVOFHSA-N -1 0 302.352 -0.642 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)Cn2nc3ccccn3c2=O)CCOC1 ZINC001601927908 1017894187 /nfs/dbraw/zinc/89/41/87/1017894187.db2.gz PWOGSJMCQRTFCZ-AWEZNQCLSA-N -1 0 320.305 -0.754 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)CN2CCC(CO)CC2)CCCOC1 ZINC001601926985 1017894250 /nfs/dbraw/zinc/89/42/50/1017894250.db2.gz MOKAQWHPCYKJRZ-OAHLLOKOSA-N -1 0 314.382 -0.169 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cc2c(cn1)OCCC2 ZINC001601940197 1017894761 /nfs/dbraw/zinc/89/47/61/1017894761.db2.gz HBYFKANCXWOKLL-NSHDSACASA-N -1 0 319.317 -0.178 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1occ2c1CCOC2 ZINC001601938853 1017894772 /nfs/dbraw/zinc/89/47/72/1017894772.db2.gz DSJVBDCJBHEQPV-SNVBAGLBSA-N -1 0 308.290 -0.232 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C[C@H](O)CC1(CO)CCCC1 ZINC001601939053 1017894932 /nfs/dbraw/zinc/89/49/32/1017894932.db2.gz HSLOUSIWCMEFIP-VXGBXAGGSA-N -1 0 314.382 -0.435 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001601940147 1017895243 /nfs/dbraw/zinc/89/52/43/1017895243.db2.gz RDTXCPGHMLVDAC-GZMMTYOYSA-N -1 0 306.322 -0.684 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCCC12OCCO2 ZINC001601939612 1017895316 /nfs/dbraw/zinc/89/53/16/1017895316.db2.gz OTXZGXYBQLJDIS-NXEZZACHSA-N -1 0 312.322 -0.669 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)c1cscn1 ZINC001601940404 1017895478 /nfs/dbraw/zinc/89/54/78/1017895478.db2.gz JWVCFYIJITVEON-LURJTMIESA-N -1 0 305.337 -0.893 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCc2cccnc21 ZINC001601940664 1017895532 /nfs/dbraw/zinc/89/55/32/1017895532.db2.gz STOJRUDZRLYBFS-GHMZBOCLSA-N -1 0 303.318 -0.087 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cnn2c1CCCC2 ZINC001601942202 1017895964 /nfs/dbraw/zinc/89/59/64/1017895964.db2.gz PCPSQDYZIOSBAC-NSHDSACASA-N -1 0 306.322 -0.365 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)C1CCC(=O)CC1 ZINC001601941400 1017896167 /nfs/dbraw/zinc/89/61/67/1017896167.db2.gz RCPGVQBKRKUCDY-SNVBAGLBSA-N -1 0 318.351 -0.897 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cccc2nc[nH]c21 ZINC001601943067 1017896768 /nfs/dbraw/zinc/89/67/68/1017896768.db2.gz XBZICRMCXBKHNR-SNVBAGLBSA-N -1 0 302.290 -0.022 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cc2c(cn1)OCCO2 ZINC001601942332 1017896776 /nfs/dbraw/zinc/89/67/76/1017896776.db2.gz SGTFISFPKALNPK-SECBINFHSA-N -1 0 321.289 -0.732 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)C[C@@H]1CCCOC1 ZINC001601940782 1017896864 /nfs/dbraw/zinc/89/68/64/1017896864.db2.gz MVYUQBYWXSOJMN-ZJUUUORDSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])CC1CCN(C(=O)C(=O)N2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC001601954347 1017897077 /nfs/dbraw/zinc/89/70/77/1017897077.db2.gz XAWNARAFVMMUBU-WDEREUQCSA-N -1 0 316.329 -0.369 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCCc2ccccn2)CCO1 ZINC001601957799 1017897223 /nfs/dbraw/zinc/89/72/23/1017897223.db2.gz KOWFWSCXQOFVIH-GFCCVEGCSA-N -1 0 321.333 -0.558 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NCCC2CS(=O)(=O)C2)CCO1 ZINC001601959146 1017897307 /nfs/dbraw/zinc/89/73/07/1017897307.db2.gz BOGMDRHOOPEGKG-JTQLQIEISA-N -1 0 320.367 -0.694 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCc2ccc(O)cc2)CCO1 ZINC001601957265 1017897397 /nfs/dbraw/zinc/89/73/97/1017897397.db2.gz AZWVQHUKBCBJDF-GFCCVEGCSA-N -1 0 322.317 -0.290 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)N2CC(CC3CC3)C2)CCO1 ZINC001601957357 1017897578 /nfs/dbraw/zinc/89/75/78/1017897578.db2.gz CZXNGJDLOZAWAV-LBPRGKRZSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC001601950859 1017897598 /nfs/dbraw/zinc/89/75/98/1017897598.db2.gz BWEVWAONLLYPDV-ONGXEEELSA-N -1 0 323.349 -0.668 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)N2OC3CCC2CC3)CCO1 ZINC001601958663 1017897627 /nfs/dbraw/zinc/89/76/27/1017897627.db2.gz QOKYKCNSVOHXTD-ILDUYXDCSA-N -1 0 312.322 -0.227 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N2CCC(F)(F)C2)CCO1 ZINC001601957222 1017897816 /nfs/dbraw/zinc/89/78/16/1017897816.db2.gz AEIGLNSGJQOBJZ-MRVPVSSYSA-N -1 0 306.265 -0.444 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)NCCCn1cncn1 ZINC001601952695 1017897974 /nfs/dbraw/zinc/89/79/74/1017897974.db2.gz UPBLVAHHGMVZIM-SNVBAGLBSA-N -1 0 309.326 -0.750 20 0 DBADRM O=C([O-])CC1CCN(C(=O)C(=O)N2CC[C@H](O)[C@H](F)C2)CC1 ZINC001601954345 1017898025 /nfs/dbraw/zinc/89/80/25/1017898025.db2.gz XAWNARAFVMMUBU-MNOVXSKESA-N -1 0 316.329 -0.369 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)CCO1 ZINC001601959363 1017898327 /nfs/dbraw/zinc/89/83/27/1017898327.db2.gz GUKKUMXTMXZRNM-WYUUTHIRSA-N -1 0 314.338 -0.325 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)CCO1 ZINC001601961140 1017898578 /nfs/dbraw/zinc/89/85/78/1017898578.db2.gz XNWZYXGJBJUIDO-QMMMGPOBSA-N -1 0 305.290 -0.108 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)N[C@@H]2CCc3nnnn3CC2)CCO1 ZINC001601960758 1017898627 /nfs/dbraw/zinc/89/86/27/1017898627.db2.gz XFYFBPFEWUDKMP-ZJUUUORDSA-N -1 0 324.341 -0.737 20 0 DBADRM O=C([O-])C[C@H]1CN(Cc2nnnn2CC(F)(F)F)CCO1 ZINC001601961513 1017898678 /nfs/dbraw/zinc/89/86/78/1017898678.db2.gz DNFNOBYJBYNNLL-ZETCQYMHSA-N -1 0 309.248 -0.089 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)c1ccnc(-n2cncn2)c1 ZINC001601965186 1017899232 /nfs/dbraw/zinc/89/92/32/1017899232.db2.gz HGZIALYKXWSYPK-NSHDSACASA-N -1 0 317.305 -0.022 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)CCCCCO ZINC001601965025 1017899427 /nfs/dbraw/zinc/89/94/27/1017899427.db2.gz YRVRINGEJYMXNW-SNVBAGLBSA-N -1 0 307.368 -0.361 20 0 DBADRM O=C([O-])C[C@H]1CN(c2nnnn2CCOC2CCC2)CCO1 ZINC001601965958 1017899751 /nfs/dbraw/zinc/89/97/51/1017899751.db2.gz LIATYGQAEUCLFD-NSHDSACASA-N -1 0 311.342 -0.078 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC001601967094 1017899811 /nfs/dbraw/zinc/89/98/11/1017899811.db2.gz SIYCWDPQXIVWRJ-NEPJUHHUSA-N -1 0 313.423 -0.205 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C[C@H]1C[C@]12CCOC2 ZINC001601967459 1017899901 /nfs/dbraw/zinc/89/99/01/1017899901.db2.gz DUZUSCPPYDIQSN-WZRBSPASSA-N -1 0 303.380 -0.013 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCc1nnc2n1CCCC2 ZINC001602001598 1017904687 /nfs/dbraw/zinc/90/46/87/1017904687.db2.gz AXQNGPQDPCIENY-UHFFFAOYSA-N -1 0 302.356 -0.101 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC001601998802 1017905326 /nfs/dbraw/zinc/90/53/26/1017905326.db2.gz HGBKRPSZODSYKD-NWDGAFQWSA-N -1 0 320.411 -0.288 20 0 DBADRM O=C([O-])CCCNC(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001601991821 1017905473 /nfs/dbraw/zinc/90/54/73/1017905473.db2.gz PFLUGTVHJQCWSC-UHFFFAOYSA-N -1 0 305.290 -0.037 20 0 DBADRM O=C([O-])CCCc1nnc(NC(=O)[C@@H]2COC(=O)N2)s1 ZINC001602003554 1017906096 /nfs/dbraw/zinc/90/60/96/1017906096.db2.gz NHPJQCBWZHGQLD-YFKPBYRVSA-N -1 0 300.296 -0.008 20 0 DBADRM O=C([O-])CCN(C(=O)CN1CCOCC1)C1CCOCC1 ZINC001602003859 1017907577 /nfs/dbraw/zinc/90/75/77/1017907577.db2.gz FFOAFHIONOJLJC-UHFFFAOYSA-N -1 0 300.355 -0.199 20 0 DBADRM O=C([O-])CCCNC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001601991517 1017907717 /nfs/dbraw/zinc/90/77/17/1017907717.db2.gz VHFOHIXEKUQKFL-VIFPVBQESA-N -1 0 309.326 -0.075 20 0 DBADRM O=C([O-])CCCNC(=S)NCCCn1cc(CO)nn1 ZINC001601993748 1017907982 /nfs/dbraw/zinc/90/79/82/1017907982.db2.gz QMLJNCZNMRHZSU-UHFFFAOYSA-N -1 0 301.372 -0.511 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)c2cc3n(n2)CCCO3)C1=O ZINC001602009888 1017910906 /nfs/dbraw/zinc/91/09/06/1017910906.db2.gz AGNIXKMLYYLQBQ-SNVBAGLBSA-N -1 0 323.305 -0.102 20 0 DBADRM O=C([O-])CCN(Cc1ccncc1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001602009018 1017911379 /nfs/dbraw/zinc/91/13/79/1017911379.db2.gz JIHYOVFQAGGXKQ-JTQLQIEISA-N -1 0 320.305 -0.517 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)CN1CCOC1=O ZINC001602005997 1017911723 /nfs/dbraw/zinc/91/17/23/1017911723.db2.gz YDDZUIUDPFQSPQ-JTQLQIEISA-N -1 0 300.311 -0.079 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](OC(=O)[C@@H]2COCCO2)C1=O ZINC001602014478 1017913969 /nfs/dbraw/zinc/91/39/69/1017913969.db2.gz YXQPPMUUIUBIEL-ZJUUUORDSA-N -1 0 301.295 -0.589 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@H]1CCc2nncn2CC1 ZINC001602015979 1017914135 /nfs/dbraw/zinc/91/41/35/1017914135.db2.gz GVKKYRQCTMLSEC-JTQLQIEISA-N -1 0 323.353 -0.672 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@@H]1COc2ccccc2O1 ZINC001602016611 1017914861 /nfs/dbraw/zinc/91/48/61/1017914861.db2.gz NVZIVXVVILWENE-LBPRGKRZSA-N -1 0 322.317 -0.076 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)[C@@H]2CCNC(=O)CC2)C1=O ZINC001602015073 1017915332 /nfs/dbraw/zinc/91/53/32/1017915332.db2.gz IWTBASSMSGDFFY-UWVGGRQHSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001602016489 1017915839 /nfs/dbraw/zinc/91/58/39/1017915839.db2.gz KDWSHMHYEBJOMN-VIFPVBQESA-N -1 0 308.338 -0.073 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)C1(O)Cc2ccccc2C1 ZINC001602015546 1017915910 /nfs/dbraw/zinc/91/59/10/1017915910.db2.gz ATWIZLKVKAXNGY-UHFFFAOYSA-N -1 0 320.345 -0.387 20 0 DBADRM O=C([O-])CCN1CC[C@@H](n2cc(Cn3ccnc3)nn2)C1=O ZINC001602012918 1017916400 /nfs/dbraw/zinc/91/64/00/1017916400.db2.gz KBYPWEHWIXAERL-LLVKDONJSA-N -1 0 304.310 -0.229 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](OC(=O)[C@H]2CCC(=O)NC2)C1=O ZINC001602012965 1017916490 /nfs/dbraw/zinc/91/64/90/1017916490.db2.gz SQTSFDOCWHORTI-VHSXEESVSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCN1CCC[C@H](N2CCO[C@@]3(CCOC3)C2)C1=O ZINC001602014584 1017916666 /nfs/dbraw/zinc/91/66/66/1017916666.db2.gz ZGXAHTXBSDBJGQ-WFASDCNBSA-N -1 0 312.366 -0.057 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCC[C@H]1CCOC1 ZINC001602019695 1017918830 /nfs/dbraw/zinc/91/88/30/1017918830.db2.gz OAHBUOACMHOJBJ-JTQLQIEISA-N -1 0 301.343 -0.307 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC[C@](O)(C2CC2)C1 ZINC001602017636 1017919269 /nfs/dbraw/zinc/91/92/69/1017919269.db2.gz DEYPPOLDYFSTRH-CQSZACIVSA-N -1 0 313.354 -0.476 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cc2n(n1)CCCC2 ZINC001602018311 1017919786 /nfs/dbraw/zinc/91/97/86/1017919786.db2.gz OBBXFPYWLKVODZ-UHFFFAOYSA-N -1 0 308.338 -0.070 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC001602022157 1017921786 /nfs/dbraw/zinc/92/17/86/1017921786.db2.gz QEKYFVDEDPBYKF-NSHDSACASA-N -1 0 321.381 -0.005 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCOC[C@@H]1C[C@H]1CCCO1 ZINC001602022528 1017921909 /nfs/dbraw/zinc/92/19/09/1017921909.db2.gz ZXZJCDMMKZYZNS-NWDGAFQWSA-N -1 0 300.355 -0.153 20 0 DBADRM O=C([O-])CCOc1ccc(NC(=O)C(=O)NCCCO)cc1 ZINC001602025133 1017923024 /nfs/dbraw/zinc/92/30/24/1017923024.db2.gz JCZBKPRZTYZTMR-UHFFFAOYSA-N -1 0 310.306 -0.023 20 0 DBADRM O=C([O-])CCc1csc(NC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001602045999 1017925977 /nfs/dbraw/zinc/92/59/77/1017925977.db2.gz POMUFSFTTMOBSZ-SSDOTTSWSA-N -1 0 319.364 -0.210 20 0 DBADRM O=C([O-])CN(C(=O)[C@@H]1CCS(=O)(=O)C1)C1CCOCC1 ZINC001602050158 1017926524 /nfs/dbraw/zinc/92/65/24/1017926524.db2.gz ONJHEBXKKKIJHL-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])CN(C(=O)[C@]1(F)CCS(=O)(=O)C1)C1CCOCC1 ZINC001602050980 1017926689 /nfs/dbraw/zinc/92/66/89/1017926689.db2.gz GRQJGACGMVZHET-LBPRGKRZSA-N -1 0 323.342 -0.395 20 0 DBADRM O=C([O-])CCSCCNC(=O)Cc1nc2ncccn2n1 ZINC001602029149 1017926794 /nfs/dbraw/zinc/92/67/94/1017926794.db2.gz KGWRBMLWCXQPOS-UHFFFAOYSA-N -1 0 309.351 -0.009 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CC(N3CCOCC3)C2)O1 ZINC001602034487 1017927906 /nfs/dbraw/zinc/92/79/06/1017927906.db2.gz WUCOKTMSPOKDEB-QWHCGFSZSA-N -1 0 312.366 -0.058 20 0 DBADRM O=C([O-])CCc1ccc(NC(=O)C(=O)N(CCO)CCO)cc1 ZINC001602038807 1017927973 /nfs/dbraw/zinc/92/79/73/1017927973.db2.gz SBCRKOAWBCFKKT-UHFFFAOYSA-N -1 0 324.333 -0.545 20 0 DBADRM O=C([O-])CCc1csc(NC(=O)N2C[C@H](O)[C@@H](CO)C2)n1 ZINC001602045906 1017928235 /nfs/dbraw/zinc/92/82/35/1017928235.db2.gz AFTRFSHSBZVTTJ-APPZFPTMSA-N -1 0 315.351 -0.023 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CC[C@@H](O)[C@@H](CO)C2)O1 ZINC001602034140 1017928300 /nfs/dbraw/zinc/92/83/00/1017928300.db2.gz FXQUCQZKNJKLOK-WRWGMCAJSA-N -1 0 301.339 -0.400 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)NC[C@@H]2CN3CCN2CC3)O1 ZINC001602037902 1017928726 /nfs/dbraw/zinc/92/87/26/1017928726.db2.gz WKQVDGDARRHUSL-FRRDWIJNSA-N -1 0 311.382 -0.485 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)C1CCC1 ZINC001602055006 1017929924 /nfs/dbraw/zinc/92/99/24/1017929924.db2.gz BYDNUQFOLNLVNL-UHFFFAOYSA-N -1 0 306.384 -0.413 20 0 DBADRM O=C([O-])CN(Cc1ccccc1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001602059156 1017930852 /nfs/dbraw/zinc/93/08/52/1017930852.db2.gz RJPBWDHBJQSIIK-UMVBOHGHSA-N -1 0 321.329 -0.487 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)Cc1cscn1 ZINC001602054871 1017931837 /nfs/dbraw/zinc/93/18/37/1017931837.db2.gz JNYMVTCUUJQHFW-UHFFFAOYSA-N -1 0 313.379 -0.069 20 0 DBADRM O=C([O-])CN(CCc1ccccc1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001602055512 1017933548 /nfs/dbraw/zinc/93/35/48/1017933548.db2.gz DMZJLIQCMQDKJS-NSHDSACASA-N -1 0 319.317 -0.260 20 0 DBADRM O=C([O-])C[NH+]1CCN(c2ccc(NC(=O)C(=O)[O-])cc2)CC1 ZINC001602064158 1017935414 /nfs/dbraw/zinc/93/54/14/1017935414.db2.gz WKAKIRJJEPBHIW-UHFFFAOYSA-N -1 0 307.306 -0.084 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001602064409 1017935816 /nfs/dbraw/zinc/93/58/16/1017935816.db2.gz UCOPBDDGXSOQMS-JOYOIKCWSA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)CC1OCCCO1 ZINC001602063752 1017936449 /nfs/dbraw/zinc/93/64/49/1017936449.db2.gz AQLBJKHWIOAROO-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCn2ncnc21 ZINC001602064473 1017936481 /nfs/dbraw/zinc/93/64/81/1017936481.db2.gz WPBLXBHYFDUUEL-NXEZZACHSA-N -1 0 321.337 -0.653 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)C(F)(F)C1(O)CCC1 ZINC001602063780 1017936676 /nfs/dbraw/zinc/93/66/76/1017936676.db2.gz BJXILDCPOHTHLE-MRVPVSSYSA-N -1 0 320.292 -0.272 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1CC(=O)Nc1ccccn1 ZINC001602069011 1017940341 /nfs/dbraw/zinc/94/03/41/1017940341.db2.gz ZBVCUIBGYSJGMF-JTQLQIEISA-N -1 0 306.322 -0.315 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C[C@H]1CCCS(=O)(=O)C1 ZINC001602065987 1017940554 /nfs/dbraw/zinc/94/05/54/1017940554.db2.gz ASRCHMNKOLJKLB-MNOVXSKESA-N -1 0 318.395 -0.524 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc(-c2ccccc2O)n[nH]1 ZINC001602069426 1017941745 /nfs/dbraw/zinc/94/17/45/1017941745.db2.gz GORFTZKZMBGCPA-UHFFFAOYSA-N -1 0 318.289 -0.287 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1Cc1cnc2cnccn12 ZINC001602068579 1017941892 /nfs/dbraw/zinc/94/18/92/1017941892.db2.gz RCMFXSMPOSFDAR-LLVKDONJSA-N -1 0 303.322 -0.106 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)C1=Cc2cc(F)ccc2OC1 ZINC001602066019 1017942102 /nfs/dbraw/zinc/94/21/02/1017942102.db2.gz NNWKKQLFTTWCEP-UHFFFAOYSA-N -1 0 308.265 -0.082 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC001602069645 1017943796 /nfs/dbraw/zinc/94/37/96/1017943796.db2.gz UPCWKTILBHSVDB-UHFFFAOYSA-N -1 0 307.306 -0.403 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC001602069897 1017945120 /nfs/dbraw/zinc/94/51/20/1017945120.db2.gz LNAKTVZPTPCHEH-UHFFFAOYSA-N -1 0 319.317 -0.034 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC001602069884 1017945478 /nfs/dbraw/zinc/94/54/78/1017945478.db2.gz KSHSPBVWLYMLSU-LBPRGKRZSA-N -1 0 322.317 -0.215 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(Cc2nnc[nH]2)cc1 ZINC001602069899 1017945917 /nfs/dbraw/zinc/94/59/17/1017945917.db2.gz LTEZYQOYWARVLS-UHFFFAOYSA-N -1 0 317.305 -0.674 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CN1Cc2ccccc2OC1=O ZINC001602070538 1017945988 /nfs/dbraw/zinc/94/59/88/1017945988.db2.gz KYUWNUGLHKKEKC-UHFFFAOYSA-N -1 0 322.273 -0.255 20 0 DBADRM O=C([O-])COCCNC(=O)c1cc(N2CCOCC2)ncn1 ZINC001602079420 1017947255 /nfs/dbraw/zinc/94/72/55/1017947255.db2.gz YRVRTLIFOIMEEP-UHFFFAOYSA-N -1 0 310.310 -0.856 20 0 DBADRM O=C([O-])COCC(=O)NCC(=O)N1CCOc2ccccc21 ZINC001602076943 1017947648 /nfs/dbraw/zinc/94/76/48/1017947648.db2.gz ADBPIZIRLMRXDI-UHFFFAOYSA-N -1 0 308.290 -0.371 20 0 DBADRM O=C([O-])COCCNC(=O)c1cc2c([nH]c1=O)CCC[C@H]2O ZINC001602079379 1017948786 /nfs/dbraw/zinc/94/87/86/1017948786.db2.gz VCAIDOJIHLPCPY-LLVKDONJSA-N -1 0 310.306 -0.012 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCN([C@H]2CCOC2)CC1 ZINC001602079005 1017948976 /nfs/dbraw/zinc/94/89/76/1017948976.db2.gz VPLQSJXLGAKWCV-NSHDSACASA-N -1 0 301.343 -0.796 20 0 DBADRM O=C([O-])COCC(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001602077418 1017949804 /nfs/dbraw/zinc/94/98/04/1017949804.db2.gz FYIKPGAVSCMDPT-UHFFFAOYSA-N -1 0 312.326 -0.745 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC(N2CN=NC2=O)CC1 ZINC001602079006 1017950145 /nfs/dbraw/zinc/95/01/45/1017950145.db2.gz VPRCECCMWGYAFB-UHFFFAOYSA-N -1 0 313.314 -0.569 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC(Cn2ccnn2)CC1 ZINC001602078546 1017950307 /nfs/dbraw/zinc/95/03/07/1017950307.db2.gz BGNGIGBGTXRGKK-UHFFFAOYSA-N -1 0 311.342 -0.199 20 0 DBADRM O=C([O-])COCC(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001602076367 1017950504 /nfs/dbraw/zinc/95/05/04/1017950504.db2.gz WMLRMHHODXLVNW-LBPRGKRZSA-N -1 0 305.352 -0.485 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)NC/C=C/CO)c1 ZINC001602092888 1017951631 /nfs/dbraw/zinc/95/16/31/1017951631.db2.gz CCYXXTDRCYPODO-OWOJBTEDSA-N -1 0 308.290 -0.247 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N2CC[C@@H](CO)[C@H](O)C2)c1 ZINC001602089596 1017951904 /nfs/dbraw/zinc/95/19/04/1017951904.db2.gz AONVJGPOOMXPBM-WCQYABFASA-N -1 0 309.318 -0.035 20 0 DBADRM O=C([O-])COCCNC(=O)N[C@@H]1COc2ccccc2[C@@H]1O ZINC001602079830 1017954642 /nfs/dbraw/zinc/95/46/42/1017954642.db2.gz UXSWVYNXAIUTGX-MFKMUULPSA-N -1 0 310.306 -0.119 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)NCCN2C(=O)CNC2=O)C1 ZINC001602112146 1017956171 /nfs/dbraw/zinc/95/61/71/1017956171.db2.gz OQTLIBSCIOWWMA-BDAKNGLRSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC001602109548 1017956349 /nfs/dbraw/zinc/95/63/49/1017956349.db2.gz YNWDYDZAZQWMQN-SJHCENCUSA-N -1 0 324.377 -0.025 20 0 DBADRM O=C([O-])C[C@@H](O)CN1C(=O)c2ccc(F)cc2S1(=O)=O ZINC001602105010 1017956641 /nfs/dbraw/zinc/95/66/41/1017956641.db2.gz FJXCMQCYGCBXDH-SSDOTTSWSA-N -1 0 303.267 -0.194 20 0 DBADRM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)CN1C(=O)CNC1=O ZINC001602103301 1017957042 /nfs/dbraw/zinc/95/70/42/1017957042.db2.gz BGOPQJQHJLCNTN-LLVKDONJSA-N -1 0 319.317 -0.260 20 0 DBADRM O=C([O-])C[C@@H](O)CN1C(=O)c2c(cccc2F)S1(=O)=O ZINC001602105049 1017957933 /nfs/dbraw/zinc/95/79/33/1017957933.db2.gz ISWUBFQZOHIZJW-ZCFIWIBFSA-N -1 0 303.267 -0.194 20 0 DBADRM O=C([O-])Cc1sccc1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001602158604 1017959086 /nfs/dbraw/zinc/95/90/86/1017959086.db2.gz PTPDWBUHFCFTKF-QMMMGPOBSA-N -1 0 323.330 -0.249 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NN2CCCNC2=O)c1 ZINC001602136795 1017959270 /nfs/dbraw/zinc/95/92/70/1017959270.db2.gz VRHCQYDWNGJSSB-UHFFFAOYSA-N -1 0 320.305 -0.301 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)N(CCO)CCO)c1 ZINC001602141858 1017959885 /nfs/dbraw/zinc/95/98/85/1017959885.db2.gz WQUPSUFBDGSSKR-UHFFFAOYSA-N -1 0 303.336 -0.711 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001602145938 1017960545 /nfs/dbraw/zinc/96/05/45/1017960545.db2.gz XWWBPMMLHSGWEB-LLVKDONJSA-N -1 0 312.347 -0.378 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)N[C@H]2CCC(=O)NC2=O)n1 ZINC001602152908 1017961096 /nfs/dbraw/zinc/96/10/96/1017961096.db2.gz ZLSHBXYMYVWWHX-LURJTMIESA-N -1 0 312.307 -0.303 20 0 DBADRM O=C([O-])Cc1occc1C(=O)NC[C@@H](O)CN1CCCC1=O ZINC001602155646 1017961187 /nfs/dbraw/zinc/96/11/87/1017961187.db2.gz OJFCAEVMUHMKGV-SECBINFHSA-N -1 0 310.306 -0.380 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)c2ccc3c(n2)OCCO3)n[nH]1 ZINC001602155006 1017962258 /nfs/dbraw/zinc/96/22/58/1017962258.db2.gz ZMRCZEXHVPYYMJ-UHFFFAOYSA-N -1 0 305.250 -0.150 20 0 DBADRM O=C([O-])Cc1occc1C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001602155693 1017962334 /nfs/dbraw/zinc/96/23/34/1017962334.db2.gz RJJFFJQCSQZPCW-AWEZNQCLSA-N -1 0 324.289 -0.142 20 0 DBADRM O=C([O-])Cn1cc(CCCOC(=O)C[C@H]2CCC(=O)NC2)nn1 ZINC001602159197 1017966233 /nfs/dbraw/zinc/96/62/33/1017966233.db2.gz FGFXXHAHGMVCBH-SNVBAGLBSA-N -1 0 324.337 -0.245 20 0 DBADRM O=C([O-])Cn1cc(CCCOC(=O)CN2CCCCC2=O)nn1 ZINC001602159539 1017966262 /nfs/dbraw/zinc/96/62/62/1017966262.db2.gz OJNNZZOYDLQCJT-UHFFFAOYSA-N -1 0 324.337 -0.149 20 0 DBADRM O=C([O-])Cn1cc(CN2CC[C@@H](CN3CCCC3=O)C2)nn1 ZINC001602160907 1017966349 /nfs/dbraw/zinc/96/63/49/1017966349.db2.gz HPBICKMCJLTZRZ-LLVKDONJSA-N -1 0 307.354 -0.193 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001602168745 1017968633 /nfs/dbraw/zinc/96/86/33/1017968633.db2.gz ARQIEMWZROGTOH-VGMNWLOBSA-N -1 0 308.331 -0.230 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N[C@H]2CC[C@@H](O)[C@@H](O)CC2)n1 ZINC001602165187 1017968890 /nfs/dbraw/zinc/96/88/90/1017968890.db2.gz MHQJUHJUYNQIPU-ILWJIGKKSA-N -1 0 312.326 -0.246 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCc2cncc(F)c2)cn1 ZINC001602164943 1017969725 /nfs/dbraw/zinc/96/97/25/1017969725.db2.gz UZYWZFMOYZJTEZ-UHFFFAOYSA-N -1 0 314.298 -0.020 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(N2CCNC2=O)cc1 ZINC001602190753 1017972212 /nfs/dbraw/zinc/97/22/12/1017972212.db2.gz GJVCOMCQLHATEO-NEPJUHHUSA-N -1 0 319.317 -0.124 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)Cn1cnc(-c2ccccc2)n1 ZINC001602190804 1017972657 /nfs/dbraw/zinc/97/26/57/1017972657.db2.gz ITMIBBKUMCNCON-NEPJUHHUSA-N -1 0 316.317 -0.009 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cc(-n2ccnc2)ccn1 ZINC001602190765 1017972853 /nfs/dbraw/zinc/97/28/53/1017972853.db2.gz GTJIRTHPQSGCSO-PWSUYJOCSA-N -1 0 302.290 -0.073 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1cnc2n(c1=O)CCS2 ZINC001602197128 1017973203 /nfs/dbraw/zinc/97/32/03/1017973203.db2.gz ONCTZWGVFQPKBF-XPUUQOCRSA-N -1 0 313.310 -0.014 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC001602192346 1017973298 /nfs/dbraw/zinc/97/32/98/1017973298.db2.gz XGSBZGGFPWMZCI-WOPDTQHZSA-N -1 0 322.317 -0.091 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2C[C@H]2COCCO2)C[C@H]1C1CC1 ZINC001602190638 1017974188 /nfs/dbraw/zinc/97/41/88/1017974188.db2.gz XRPJBXGQBBIECB-SDDRHHMPSA-N -1 0 323.353 -0.365 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCOC3(CCOCC3)C2)C(=O)O1 ZINC001602188890 1017974474 /nfs/dbraw/zinc/97/44/74/1017974474.db2.gz KNDSLOUKEUNKLB-JTQLQIEISA-N -1 0 300.311 -0.269 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1ccns1 ZINC001602199252 1017976673 /nfs/dbraw/zinc/97/66/73/1017976673.db2.gz HWQQUVDZEITIER-BQBZGAKWSA-N -1 0 324.318 -0.637 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1Cc1cscn1 ZINC001602197851 1017977393 /nfs/dbraw/zinc/97/73/93/1017977393.db2.gz TYZLMHLZCSEZSA-IUCAKERBSA-N -1 0 310.335 -0.278 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CN1C(=O)N[C@H]([C@H]2CCCOC2)C1=O ZINC001602202308 1017977463 /nfs/dbraw/zinc/97/74/63/1017977463.db2.gz QYSRASACQDXDJQ-LMLFDSFASA-N -1 0 312.322 -0.177 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)N[C@H]3CCc4nnnn4CC3)C[C@@H]21 ZINC001602205569 1017977687 /nfs/dbraw/zinc/97/76/87/1017977687.db2.gz QXLZWEMAKFUIEJ-WYOJIJJFSA-N -1 0 306.326 -0.650 20 0 DBADRM O=C([O-])[C@]12CN(Cn3nc4ccccn4c3=O)C[C@H]1COCC2 ZINC001602208580 1017979201 /nfs/dbraw/zinc/97/92/01/1017979201.db2.gz WYVVHDZFVVSNMH-XHDPSFHLSA-N -1 0 318.333 -0.123 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC(C(=O)NCCO)CC2)ccn1 ZINC001602242945 1017982331 /nfs/dbraw/zinc/98/23/31/1017982331.db2.gz DUSVABVODBRKDN-UHFFFAOYSA-N -1 0 321.333 -0.260 20 0 DBADRM O=C([O-])c1cc(C(=O)N(CCO)CCN2CCOCC2)on1 ZINC001602242028 1017982349 /nfs/dbraw/zinc/98/23/49/1017982349.db2.gz NFAUEHNQYOMZNF-UHFFFAOYSA-N -1 0 313.310 -0.861 20 0 DBADRM O=C([O-])c1c(NC(=O)[C@H]2CCS(=O)(=O)N2)nc2n1CCC2 ZINC001602231505 1017983123 /nfs/dbraw/zinc/98/31/23/1017983123.db2.gz GXWOJSCWDQAXOO-ZCFIWIBFSA-N -1 0 314.323 -0.842 20 0 DBADRM O=C([O-])c1cc(CNC(=O)C2=C3CCCN=C3NN2)ccn1 ZINC001602259054 1017984098 /nfs/dbraw/zinc/98/40/98/1017984098.db2.gz SRYXUVGBUQZLKM-UHFFFAOYSA-N -1 0 301.306 -0.050 20 0 DBADRM O=C([O-])c1cc(NCCNS(=O)(=O)c2cccnc2)ncn1 ZINC001602285646 1017985008 /nfs/dbraw/zinc/98/50/08/1017985008.db2.gz LOPZHKDTAMAUOG-UHFFFAOYSA-N -1 0 323.334 -0.040 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCO[C@@H]3COCC[C@@H]32)c[nH]1 ZINC001602290868 1017985150 /nfs/dbraw/zinc/98/51/50/1017985150.db2.gz HFFNKSTZDJCKPB-WDEREUQCSA-N -1 0 316.335 -0.109 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCOC[C@]23CCOC3)n[nH]1 ZINC001602291718 1017985363 /nfs/dbraw/zinc/98/53/63/1017985363.db2.gz RTOOZEQXWWIJPD-LLVKDONJSA-N -1 0 317.323 -0.712 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H](CO)[C@H](O)c2cccnc2)[nH]1 ZINC001602320799 1017987492 /nfs/dbraw/zinc/98/74/92/1017987492.db2.gz LXFLXLYZDQGODB-NWDGAFQWSA-N -1 0 305.290 -0.068 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCn2cnnn2)ccc1F ZINC001602295274 1017987776 /nfs/dbraw/zinc/98/77/76/1017987776.db2.gz RBUIVFJPFNUYJB-UHFFFAOYSA-N -1 0 315.286 -0.511 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@H](CO)[C@@H](O)c2cccnc2)[nH]1 ZINC001602320798 1017989322 /nfs/dbraw/zinc/98/93/22/1017989322.db2.gz LXFLXLYZDQGODB-NEPJUHHUSA-N -1 0 305.290 -0.068 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCO[C@@H]2CCCCO2)n[nH]1 ZINC001602295871 1017990563 /nfs/dbraw/zinc/99/05/63/1017990563.db2.gz BIYLVDVADZWGHE-SNVBAGLBSA-N -1 0 319.339 -0.071 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N2CC3(C2)C[C@@H](O)CNC3=O)cc1 ZINC001602332834 1017991079 /nfs/dbraw/zinc/99/10/79/1017991079.db2.gz IFQHUJCAJVFYGA-GFCCVEGCSA-N -1 0 318.329 -0.363 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCCn2cc(CO)nn2)nc1 ZINC001602322355 1017991766 /nfs/dbraw/zinc/99/17/66/1017991766.db2.gz JJEUSRWKTYBTRS-UHFFFAOYSA-N -1 0 305.294 -0.316 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H](CO)[C@H](O)c2ccccn2)nc1 ZINC001602321055 1017991981 /nfs/dbraw/zinc/99/19/81/1017991981.db2.gz PCQIZBKPZDWPSR-QWHCGFSZSA-N -1 0 317.301 -0.001 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCN2CCS(=O)(=O)CC2)[nH]1 ZINC001602322287 1017992338 /nfs/dbraw/zinc/99/23/38/1017992338.db2.gz FOHQJABCTAZWAM-UHFFFAOYSA-N -1 0 315.351 -0.827 20 0 DBADRM O=C([O-])c1ccc2c(=O)[nH]c(CN3C[C@H](O)[C@@H](CO)C3)nc2c1 ZINC001602417956 1017993427 /nfs/dbraw/zinc/99/34/27/1017993427.db2.gz PFICXCVMTIVVIK-SKDRFNHKSA-N -1 0 319.317 -0.181 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CC(C3CS(=O)(=O)C3)C2)n1 ZINC001602432165 1017993488 /nfs/dbraw/zinc/99/34/88/1017993488.db2.gz DORJYWOEZQFYNP-UHFFFAOYSA-N -1 0 310.331 -0.104 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCN2CCNC2=O)o1 ZINC001602398605 1017994879 /nfs/dbraw/zinc/99/48/79/1017994879.db2.gz IEKWSYOLLDKWAM-UHFFFAOYSA-N -1 0 303.296 -0.719 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC001602393235 1017995546 /nfs/dbraw/zinc/99/55/46/1017995546.db2.gz QVGULJOLOFQSTG-DTORHVGOSA-N -1 0 314.319 -0.432 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)o1 ZINC001602395928 1017995625 /nfs/dbraw/zinc/99/56/25/1017995625.db2.gz YKPNHBWIXGIMSI-QEYXHICPSA-N -1 0 305.333 -0.128 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)o1 ZINC001602395813 1017995815 /nfs/dbraw/zinc/99/58/15/1017995815.db2.gz VEEPKSKJJKSIFS-BQBZGAKWSA-N -1 0 301.276 -0.229 20 0 DBADRM O=C([O-])c1cccc(NC(=O)N(CCO)CCOCCO)n1 ZINC001602444448 1017998634 /nfs/dbraw/zinc/99/86/34/1017998634.db2.gz PEXXXEOPORHSFU-UHFFFAOYSA-N -1 0 313.310 -0.385 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)n1 ZINC001602476367 1017998765 /nfs/dbraw/zinc/99/87/65/1017998765.db2.gz ABORQEBTDSQHNG-NQBHXWOUSA-N -1 0 323.349 -0.030 20 0 DBADRM O=C([O-])c1cccc(C(=O)N[C@@H]2C(=O)NCC23CCOCC3)n1 ZINC001602434066 1017999297 /nfs/dbraw/zinc/99/92/97/1017999297.db2.gz GZLOZDHMBSFINJ-LLVKDONJSA-N -1 0 319.317 -0.195 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CC(n3ccnn3)C2)c1=O ZINC001602475596 1017999589 /nfs/dbraw/zinc/99/95/89/1017999589.db2.gz KIWMIMFXFVWOQP-UHFFFAOYSA-N -1 0 303.278 -0.779 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CC[C@H](n3cncn3)C2)c1=O ZINC001602476191 1018000107 /nfs/dbraw/zinc/00/01/07/1018000107.db2.gz RUJGYHMGEBAROG-JTQLQIEISA-N -1 0 317.305 -0.388 20 0 DBADRM O=C([O-])c1cccc(N2CC(=O)N(CCn3cnnn3)C2=O)c1 ZINC001602443592 1018000245 /nfs/dbraw/zinc/00/02/45/1018000245.db2.gz SMKARYDPAIOJEV-UHFFFAOYSA-N -1 0 316.277 -0.160 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NCCO[C@@H]2CCOC2)c1 ZINC001602486754 1018001382 /nfs/dbraw/zinc/00/13/82/1018001382.db2.gz PPYMEUBXYOYMJL-SNVBAGLBSA-N -1 0 316.335 -0.136 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N2CCC(CO)(CO)C2)n1 ZINC001602478846 1018002871 /nfs/dbraw/zinc/00/28/71/1018002871.db2.gz SOQJZMPFOWFTJM-UHFFFAOYSA-N -1 0 311.338 -0.435 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)N[C@H]3CCNC3=O)C2)nn1 ZINC001602492033 1018003493 /nfs/dbraw/zinc/00/34/93/1018003493.db2.gz OSXREGOPFOSHKC-IUCAKERBSA-N -1 0 322.325 -0.789 20 0 DBADRM O=C([O-])c1ccnc(N2CCS(=O)(=O)C[C@@H]2CCO)n1 ZINC001602479791 1018003584 /nfs/dbraw/zinc/00/35/84/1018003584.db2.gz QKPRIESUIGXILM-QMMMGPOBSA-N -1 0 301.324 -0.839 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N2CC[C@](F)(CO)C2)c1 ZINC001602484503 1018003859 /nfs/dbraw/zinc/00/38/59/1018003859.db2.gz BHUWWMUTHTYXTQ-LLVKDONJSA-N -1 0 304.299 -0.125 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C[C@H]3CCCS3(=O)=O)C2)nn1 ZINC001602498255 1018004409 /nfs/dbraw/zinc/00/44/09/1018004409.db2.gz KRSBMMXVRBOOBZ-NXEZZACHSA-N -1 0 314.367 -0.200 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)CCN3CCOC3=O)C2)nn1 ZINC001602492823 1018004883 /nfs/dbraw/zinc/00/48/83/1018004883.db2.gz MMNVZJFOZVZFML-VIFPVBQESA-N -1 0 323.309 -0.408 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)NCc3cc[nH]n3)C2)nn1 ZINC001602499154 1018006160 /nfs/dbraw/zinc/00/61/60/1018006160.db2.gz NPFQDRLPJIZKTI-VIFPVBQESA-N -1 0 305.298 -0.144 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3ccc4nc[nH]c4n3)C2)nn1 ZINC001602500945 1018006479 /nfs/dbraw/zinc/00/64/79/1018006479.db2.gz CDGCREURHSTMDC-UHFFFAOYSA-N -1 0 313.277 -0.055 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@H]3CCCC34OCCO4)C2)nn1 ZINC001602501969 1018006564 /nfs/dbraw/zinc/00/65/64/1018006564.db2.gz KISATVACEOLBNV-SNVBAGLBSA-N -1 0 322.321 -0.097 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N(CCCCO)C2CC2)nn1 ZINC001602503199 1018007781 /nfs/dbraw/zinc/00/77/81/1018007781.db2.gz FAGCYQRJPRXLNF-UHFFFAOYSA-N -1 0 311.342 -0.077 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2cc(=O)[nH]c(C3CC3)n2)nn1 ZINC001602502603 1018008146 /nfs/dbraw/zinc/00/81/46/1018008146.db2.gz DDTRKFLXRLIEOJ-UHFFFAOYSA-N -1 0 318.293 -0.221 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCO[C@@H](C(F)F)CC2)nn1 ZINC001602504237 1018008465 /nfs/dbraw/zinc/00/84/65/1018008465.db2.gz LPMGHJIWKZWEDB-MRVPVSSYSA-N -1 0 304.253 -0.141 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCOCC3(CC3)C2)nn1 ZINC001602503763 1018008652 /nfs/dbraw/zinc/00/86/52/1018008652.db2.gz ULYUJPRIFXEGGV-UHFFFAOYSA-N -1 0 309.326 -0.202 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3ccnc4ccnn43)C2)nn1 ZINC001602502062 1018008768 /nfs/dbraw/zinc/00/87/68/1018008768.db2.gz IPQPKQFFLSGQNG-UHFFFAOYSA-N -1 0 313.277 -0.284 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@@H]2CCc3nc[nH]c3C2)nn1 ZINC001602502947 1018008863 /nfs/dbraw/zinc/00/88/63/1018008863.db2.gz APBUSBWLJFKKDI-MRVPVSSYSA-N -1 0 304.310 -0.379 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2cncc3[nH]cnc32)nn1 ZINC001602503455 1018009093 /nfs/dbraw/zinc/00/90/93/1018009093.db2.gz YIFVXBXRTNPVKB-UHFFFAOYSA-N -1 0 301.266 -0.322 20 0 DBADRM O=C([O-])c1cnc(COC(=O)[C@H]2CCCS2(=O)=O)cn1 ZINC001602521891 1018009540 /nfs/dbraw/zinc/00/95/40/1018009540.db2.gz NWSFEXWYCWWZSF-SECBINFHSA-N -1 0 300.292 -0.205 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)c3cnccn3)C2)nc1 ZINC001602524685 1018011280 /nfs/dbraw/zinc/01/12/80/1018011280.db2.gz FVNRDVKDKOOTLX-JTQLQIEISA-N -1 0 314.305 -0.027 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cn1 ZINC001602508795 1018012043 /nfs/dbraw/zinc/01/20/43/1018012043.db2.gz OKQLLKRRNBTMQT-ZJUUUORDSA-N -1 0 306.322 -0.544 20 0 DBADRM O=C([O-])c1cn([C@@H]2COC[C@H]2OC(=O)[C@H]2C[C@@]23CCOC3)nn1 ZINC001602506027 1018012143 /nfs/dbraw/zinc/01/21/43/1018012143.db2.gz BRBTWGZRCPZRSX-IDTAVKCVSA-N -1 0 323.305 -0.114 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)[C@@H]2CCCCO2)nc1 ZINC001602531253 1018012397 /nfs/dbraw/zinc/01/23/97/1018012397.db2.gz WSYHZWDXRWJILY-MNOVXSKESA-N -1 0 324.337 -0.367 20 0 DBADRM O=C([O-])c1cnc(NC2(CNC(=O)c3cnon3)CC2)nc1 ZINC001602531410 1018012474 /nfs/dbraw/zinc/01/24/74/1018012474.db2.gz YMEANDMWDDRLGS-UHFFFAOYSA-N -1 0 304.266 -0.068 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H](NC(=O)c3ccon3)[C@@H](O)C2)nc1 ZINC001602527756 1018012533 /nfs/dbraw/zinc/01/25/33/1018012533.db2.gz FWHTYAVKKNIYTG-ZJUUUORDSA-N -1 0 319.277 -0.858 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)c2cncs2)nc1 ZINC001602528681 1018012875 /nfs/dbraw/zinc/01/28/75/1018012875.db2.gz CMFAWUADTVCJNN-QMMMGPOBSA-N -1 0 323.334 -0.166 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](NC(=O)c2nnc[nH]2)C2CC2)nc1 ZINC001602530231 1018013621 /nfs/dbraw/zinc/01/36/21/1018013621.db2.gz NFGASLVJOVEXQM-VIFPVBQESA-N -1 0 317.309 -0.087 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)c2cncs2)nc1 ZINC001602528680 1018013797 /nfs/dbraw/zinc/01/37/97/1018013797.db2.gz CMFAWUADTVCJNN-MRVPVSSYSA-N -1 0 323.334 -0.166 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)c3ncccn3)C2)nc1 ZINC001602527303 1018014039 /nfs/dbraw/zinc/01/40/39/1018014039.db2.gz SJJHMWBUOKNFHY-SNVBAGLBSA-N -1 0 314.305 -0.027 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)[C@@H]2CC23CC3)nc1 ZINC001602529594 1018014404 /nfs/dbraw/zinc/01/44/04/1018014404.db2.gz GOWCJLKBPZRZQV-ZJUUUORDSA-N -1 0 306.322 -0.136 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)[C@@H]2CC23CC3)nc1 ZINC001602529066 1018014550 /nfs/dbraw/zinc/01/45/50/1018014550.db2.gz BIFQFLRFUILZGY-UWVGGRQHSA-N -1 0 306.322 -0.136 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCOC[C@H]2c2ncon2)c1 ZINC001602545187 1018015317 /nfs/dbraw/zinc/01/53/17/1018015317.db2.gz OSLZZFUYRCSYBO-VIFPVBQESA-N -1 0 307.266 -0.436 20 0 DBADRM O=C([O-])c1cnc(NCCCNC(=O)[C@@H]2CCNC2=O)nc1 ZINC001602532692 1018015650 /nfs/dbraw/zinc/01/56/50/1018015650.db2.gz XDUNTHXUADCIMG-VIFPVBQESA-N -1 0 307.310 -0.771 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N2CCCn3ncnc32)c1 ZINC001602542194 1018016062 /nfs/dbraw/zinc/01/60/62/1018016062.db2.gz OKGSAAOGFGDGRK-UHFFFAOYSA-N -1 0 309.307 -0.030 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)NCCNC(=O)C2CC2)c1 ZINC001602542881 1018016507 /nfs/dbraw/zinc/01/65/07/1018016507.db2.gz QIFZYHPJVCBZKJ-UHFFFAOYSA-N -1 0 313.335 -0.416 20 0 DBADRM O=C([O-])c1nccc(NC/C=C\CNC(=O)[C@H]2CCCO2)n1 ZINC001602573054 1018017668 /nfs/dbraw/zinc/01/76/68/1018017668.db2.gz FCXFCNLKCWVMNA-JWXWKVPASA-N -1 0 306.322 -0.140 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)NC2CC(CO)(CO)C2)c1 ZINC001602556289 1018017827 /nfs/dbraw/zinc/01/78/27/1018017827.db2.gz GDOYTJVNZPZLGD-UHFFFAOYSA-N -1 0 305.308 -0.611 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC001602559037 1018018335 /nfs/dbraw/zinc/01/83/35/1018018335.db2.gz VQZYGWWFXVNVNB-JTQLQIEISA-N -1 0 316.335 -0.317 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)NCCN2CCNC2=O)c1 ZINC001602559622 1018018557 /nfs/dbraw/zinc/01/85/57/1018018557.db2.gz ZGEKEMPNIWWSRG-UHFFFAOYSA-N -1 0 303.296 -0.719 20 0 DBADRM O=C([O-])c1csc(COC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001602562114 1018018704 /nfs/dbraw/zinc/01/87/04/1018018704.db2.gz OZAMCFOFFSPAAM-YFKPBYRVSA-N -1 0 306.321 -0.424 20 0 DBADRM O=C([O-])c1csc(CN2CCS(=O)(=O)C[C@@H]2CCO)n1 ZINC001602559897 1018018964 /nfs/dbraw/zinc/01/89/64/1018018964.db2.gz GFHFNVYXQIDDDF-QMMMGPOBSA-N -1 0 320.392 -0.177 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NCCO[C@H]1CCOC1 ZINC001602576863 1018019896 /nfs/dbraw/zinc/01/98/96/1018019896.db2.gz AMYOUVCWFOKXQX-VIFPVBQESA-N -1 0 316.335 -0.136 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)[C@]34C[C@H]3COC4)CC2)n1 ZINC001602574122 1018019976 /nfs/dbraw/zinc/01/99/76/1018019976.db2.gz ILCRJFYSWROKCT-VFZGTOFNSA-N -1 0 318.333 -0.306 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](NC(=O)[C@@H]2CCOC2)C2CC2)n1 ZINC001602575492 1018020091 /nfs/dbraw/zinc/02/00/91/1018020091.db2.gz ZASFFLWWIRSNHG-MNOVXSKESA-N -1 0 320.349 -0.060 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N1C[C@H](CO)[C@H](CO)C1 ZINC001602576776 1018020304 /nfs/dbraw/zinc/02/03/04/1018020304.db2.gz CWOGMLYKQPIAEJ-DTORHVGOSA-N -1 0 316.335 -0.999 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)c2nccs2)n1 ZINC001602575279 1018020630 /nfs/dbraw/zinc/02/06/30/1018020630.db2.gz YWUUYPICEZWNCB-SSDOTTSWSA-N -1 0 323.334 -0.744 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)c3cnco3)CC2)n1 ZINC001602574366 1018021462 /nfs/dbraw/zinc/02/14/62/1018021462.db2.gz MMONXEDEBMCFNZ-UHFFFAOYSA-N -1 0 303.278 -0.041 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)n1 ZINC001602575528 1018021760 /nfs/dbraw/zinc/02/17/60/1018021760.db2.gz ZQGXKJIMQFCOSB-MRVPVSSYSA-N -1 0 302.294 -0.217 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NCCNc1cnccn1 ZINC001602578883 1018022240 /nfs/dbraw/zinc/02/22/40/1018022240.db2.gz WVZRNIKRKVXMIE-UHFFFAOYSA-N -1 0 323.334 -0.040 20 0 DBADRM O=C([O-])c1nccnc1N1CCC(C(=O)NCCCO)CC1 ZINC001602579080 1018022404 /nfs/dbraw/zinc/02/24/04/1018022404.db2.gz KXUFYGMMCXYMNU-UHFFFAOYSA-N -1 0 308.338 -0.110 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001602584494 1018022448 /nfs/dbraw/zinc/02/24/48/1018022448.db2.gz GFJCEAAQCLLLOI-SECBINFHSA-N -1 0 323.305 -0.277 20 0 DBADRM O=C([O-])c1occc1CNS(=O)(=O)CCN1CCOC1=O ZINC001602591280 1018023639 /nfs/dbraw/zinc/02/36/39/1018023639.db2.gz XIDWFBXGOJOZOG-UHFFFAOYSA-N -1 0 318.307 -0.151 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NC1CC(CO)(CO)C1 ZINC001602583602 1018023682 /nfs/dbraw/zinc/02/36/82/1018023682.db2.gz QDPLNAKIJZEGKV-UHFFFAOYSA-N -1 0 322.364 -0.747 20 0 DBADRM O=C([O-])C1(C(=O)COC(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC001602610265 1018023972 /nfs/dbraw/zinc/02/39/72/1018023972.db2.gz CMYRFIHNTLINKO-SECBINFHSA-N -1 0 323.305 -0.095 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001602625969 1018024809 /nfs/dbraw/zinc/02/48/09/1018024809.db2.gz OXGIBZURXAZIKX-AWEZNQCLSA-N -1 0 306.322 -0.262 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccccc2Cn2ccnn2)C1 ZINC001602627138 1018025099 /nfs/dbraw/zinc/02/50/99/1018025099.db2.gz ISGGVIYEONZPFS-UHFFFAOYSA-N -1 0 302.290 -0.402 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccnc(O[C@@H]3CCOC3)c2)C1 ZINC001602626478 1018025323 /nfs/dbraw/zinc/02/53/23/1018025323.db2.gz HIGZNBZZEPIBNG-SNVBAGLBSA-N -1 0 308.290 -0.479 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001602627604 1018025780 /nfs/dbraw/zinc/02/57/80/1018025780.db2.gz BXLGEDXFUOKVAE-CQSZACIVSA-N -1 0 302.290 -0.071 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CCC1 ZINC001602634902 1018027143 /nfs/dbraw/zinc/02/71/43/1018027143.db2.gz BFAXEGHOMWGENL-VIFPVBQESA-N -1 0 302.352 -0.324 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)NC[C@H]3CNC(=O)C3)C2)nn1 ZINC001602636477 1018027469 /nfs/dbraw/zinc/02/74/69/1018027469.db2.gz GFXOXMHMAATEPT-RKDXNWHRSA-N -1 0 322.325 -0.931 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)c2ccccc2O1 ZINC001602633975 1018027566 /nfs/dbraw/zinc/02/75/66/1018027566.db2.gz SAGTXLMNDQPCQE-KCJUWKMLSA-N -1 0 318.285 -0.082 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)NC[C@@H]1CNC(=O)C1 ZINC001602636435 1018027593 /nfs/dbraw/zinc/02/75/93/1018027593.db2.gz DYJKXHUBABTWNE-LPEHRKFASA-N -1 0 304.368 -0.315 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1CNC(=O)C1 ZINC001602636500 1018027663 /nfs/dbraw/zinc/02/76/63/1018027663.db2.gz GRWXTBFUNOGLNY-BDAKNGLRSA-N -1 0 321.337 -0.149 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)nn1 ZINC001602633179 1018027801 /nfs/dbraw/zinc/02/78/01/1018027801.db2.gz BZSGPFUUJMJZCH-RKDXNWHRSA-N -1 0 308.294 -0.297 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NCC[C@@H]1CNC(=O)C1 ZINC001602634070 1018028123 /nfs/dbraw/zinc/02/81/23/1018028123.db2.gz UMMJWKZCLRZNMV-LURJTMIESA-N -1 0 319.364 -0.354 20 0 DBADRM O=C([O-])c1cc(C2CN(C(=O)NCC[C@H]3CNC(=O)C3)C2)[nH]n1 ZINC001602633753 1018028192 /nfs/dbraw/zinc/02/81/92/1018028192.db2.gz NVXRIUZJGVCHQP-MRVPVSSYSA-N -1 0 321.337 -0.257 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC001602635575 1018028305 /nfs/dbraw/zinc/02/83/05/1018028305.db2.gz HXDWQVNQHWCBCX-SECBINFHSA-N -1 0 302.352 -0.466 20 0 DBADRM O=C([O-])C1([C@]2(O)CCCN(C(=O)[C@H]3CCC(=O)N3)C2)CCC1 ZINC001602641823 1018029037 /nfs/dbraw/zinc/02/90/37/1018029037.db2.gz GOMWSYKFNMHMIG-BMIGLBTASA-N -1 0 310.350 -0.127 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H]1CCC(=O)NC1=O ZINC001602638890 1018029453 /nfs/dbraw/zinc/02/94/53/1018029453.db2.gz MFXLHWXFUQLEOB-VGMNWLOBSA-N -1 0 318.351 -0.646 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NC[C@H]2CC(=O)c3ccccc3O2)C1 ZINC001602637291 1018029685 /nfs/dbraw/zinc/02/96/85/1018029685.db2.gz OVIIHHWTZXQHIO-SECBINFHSA-N -1 0 320.301 -0.139 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CNC(=O)C2)oc1Cl ZINC001602637434 1018030342 /nfs/dbraw/zinc/03/03/42/1018030342.db2.gz ZLDVCMNIZPUTFL-BYPYZUCNSA-N -1 0 308.699 -0.202 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@H]1CCC(=O)NC1=O ZINC001602638888 1018030697 /nfs/dbraw/zinc/03/06/97/1018030697.db2.gz MFXLHWXFUQLEOB-CIUDSAMLSA-N -1 0 318.351 -0.646 20 0 DBADRM O=C([O-])[C@]1(O)CCN(CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC001602649910 1018031058 /nfs/dbraw/zinc/03/10/58/1018031058.db2.gz PODNGUIUQCYYQW-HNNXBMFYSA-N -1 0 319.317 -0.507 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCC(=O)NC1=O)c1ccc(O)cc1 ZINC001602646777 1018031096 /nfs/dbraw/zinc/03/10/96/1018031096.db2.gz OSLKTXINOXRUBL-GFCCVEGCSA-N -1 0 321.289 -0.424 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]2CCC[C@H]21 ZINC001602649217 1018031284 /nfs/dbraw/zinc/03/12/84/1018031284.db2.gz OYEWPXBAMCGTIZ-GUBZILKMSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])C1(C(=O)OCC(=O)N2CCNC(=O)C2)CC2(CCC2)C1 ZINC001602649956 1018031721 /nfs/dbraw/zinc/03/17/21/1018031721.db2.gz RNRVQHLNGMBAGZ-UHFFFAOYSA-N -1 0 324.333 -0.477 20 0 DBADRM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)CN1CCNC(=O)C1 ZINC001602649092 1018032472 /nfs/dbraw/zinc/03/24/72/1018032472.db2.gz MJQRJNCPHBPOFD-LBPRGKRZSA-N -1 0 323.324 -0.631 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC001602649911 1018032500 /nfs/dbraw/zinc/03/25/00/1018032500.db2.gz PODNGUIUQCYYQW-OAHLLOKOSA-N -1 0 319.317 -0.507 20 0 DBADRM O=C([O-])c1ccc(/C=C\C(=O)N2CC(=O)NCC23COC3)o1 ZINC001602648218 1018032594 /nfs/dbraw/zinc/03/25/94/1018032594.db2.gz GMOQZMCCDOFMHN-RQOWECAXSA-N -1 0 306.274 -0.282 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)[C@H]3CCC(=O)O3)CC2)nn1 ZINC001602647387 1018032638 /nfs/dbraw/zinc/03/26/38/1018032638.db2.gz RVFCPMIHPOKRKH-SNVBAGLBSA-N -1 0 308.294 -0.155 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)c1cnc2c(c1)NC(=O)CS2 ZINC001602653913 1018033344 /nfs/dbraw/zinc/03/33/44/1018033344.db2.gz YMAPHJOKXWYWJC-PPRHIFSWSA-N -1 0 323.330 -0.166 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)c1cccc(O)c1 ZINC001602654022 1018033742 /nfs/dbraw/zinc/03/37/42/1018033742.db2.gz ZTYPAGJQQBWYSZ-WCBMZHEXSA-N -1 0 307.262 -0.768 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)Cc1ccncc1 ZINC001602653142 1018033759 /nfs/dbraw/zinc/03/37/59/1018033759.db2.gz LXQFUIGQMBSYCA-UWVGGRQHSA-N -1 0 320.305 -0.961 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001602652752 1018034236 /nfs/dbraw/zinc/03/42/36/1018034236.db2.gz BKNRKWYXTMWERW-RQJHMYQMSA-N -1 0 321.293 -0.870 20 0 DBADRM O=C([O-])c1cccc(C(=O)COC(=O)CN2CC(=O)NC2=O)c1 ZINC001602650622 1018034493 /nfs/dbraw/zinc/03/44/93/1018034493.db2.gz UXYBARORMDAIFP-UHFFFAOYSA-N -1 0 320.257 -0.338 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc(N2CCNC(=O)C2)ccn1 ZINC001602652165 1018034605 /nfs/dbraw/zinc/03/46/05/1018034605.db2.gz WEOAZJCGVHUZGX-MGCOHNPYSA-N -1 0 318.333 -0.389 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)C1 ZINC001602652143 1018034879 /nfs/dbraw/zinc/03/48/79/1018034879.db2.gz UXSOEIYQSUIMHY-LMLFDSFASA-N -1 0 311.338 -0.461 20 0 DBADRM O=C([O-])c1cccc2c1CN(C(=O)C[C@@H]1NC(=O)NC1=O)CC2 ZINC001602656709 1018035532 /nfs/dbraw/zinc/03/55/32/1018035532.db2.gz TWJAWTAHBQPREM-NSHDSACASA-N -1 0 317.301 -0.132 20 0 DBADRM O=C([O-])c1cncnc1NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC001602654801 1018035762 /nfs/dbraw/zinc/03/57/62/1018035762.db2.gz FDWLCICJARXFSV-WPPNPWJKSA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)[nH]1 ZINC001602654783 1018035894 /nfs/dbraw/zinc/03/58/94/1018035894.db2.gz DROKKWMCWAJTOM-UOWDBTKRSA-N -1 0 320.305 -0.179 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC001602656006 1018036303 /nfs/dbraw/zinc/03/63/03/1018036303.db2.gz ZBYMPIJVYBFOOD-OGPOBYPUSA-N -1 0 301.274 -0.706 20 0 DBADRM O=C([O-])c1cnc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)cn1 ZINC001602654954 1018036393 /nfs/dbraw/zinc/03/63/93/1018036393.db2.gz JVKAJBURUCJRRF-ZDUSSCGKSA-N -1 0 305.294 -0.651 20 0 DBADRM O=C([O-])[C@H](Cc1ccc(F)cc1)OC(=O)C[C@@H]1NC(=O)NC1=O ZINC001602655571 1018036582 /nfs/dbraw/zinc/03/65/82/1018036582.db2.gz FAXYNCAIAODULR-UWVGGRQHSA-N -1 0 324.264 -0.037 20 0 DBADRM O=C([O-])c1cnc(NC[C@H]2CCC[C@@]23NC(=O)NC3=O)nc1 ZINC001602655705 1018036744 /nfs/dbraw/zinc/03/67/44/1018036744.db2.gz SYWVPJOPVDQXFA-AMIZOPFISA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])c1cncnc1NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC001602654798 1018036892 /nfs/dbraw/zinc/03/68/92/1018036892.db2.gz FDWLCICJARXFSV-CPFSXVBKSA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)N1CCN3C(=O)NC(=O)[C@H]3C1)C2 ZINC001602655290 1018037148 /nfs/dbraw/zinc/03/71/48/1018037148.db2.gz BWNPREIHRZUXOF-XULOGPSESA-N -1 0 322.321 -0.815 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001602656596 1018037350 /nfs/dbraw/zinc/03/73/50/1018037350.db2.gz VNSNKYYAGGSNKN-ULAWRXDQSA-N -1 0 324.255 -0.510 20 0 DBADRM O=CN1CCC[C@H]1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001602663453 1018038134 /nfs/dbraw/zinc/03/81/34/1018038134.db2.gz RSGYVGOMNKJVLM-JQWIXIFHSA-N -1 0 321.337 -0.239 20 0 DBADRM O=C([O-])[C@]1([NH+]2CCN(CC[C@H]3CCNC3=O)CC2)CCOC1 ZINC001602657582 1018038948 /nfs/dbraw/zinc/03/89/48/1018038948.db2.gz BCPXFOJCSQSAHO-DOMZBBRYSA-N -1 0 311.382 -0.626 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC3(C2)CNC(=O)O3)o1 ZINC001602660027 1018039141 /nfs/dbraw/zinc/03/91/41/1018039141.db2.gz VPWKIZCJPVWISN-UHFFFAOYSA-N -1 0 302.264 -0.539 20 0 DBADRM O=C([O-])c1ccc(F)c(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC001602660271 1018039364 /nfs/dbraw/zinc/03/93/64/1018039364.db2.gz YTMBUUVSCMXXGL-LLVKDONJSA-N -1 0 321.308 -0.334 20 0 DBADRM O=Cc1cncc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1 ZINC001602669584 1018041162 /nfs/dbraw/zinc/04/11/62/1018041162.db2.gz TXOBDBOTUJREGM-UHFFFAOYSA-N -1 0 301.262 -0.119 20 0 DBADRM CC(=O)N1CCC(Cn2nnnc2N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001602744407 1018057529 /nfs/dbraw/zinc/05/75/29/1018057529.db2.gz SOOZMXKEMCBVIQ-GFCCVEGCSA-N -1 0 322.369 -0.158 20 0 DBADRM CC(=O)N1CCO[C@H](C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001602746535 1018057584 /nfs/dbraw/zinc/05/75/84/1018057584.db2.gz KYLQWJGTMZFEPD-STQMWFEESA-N -1 0 321.333 -0.559 20 0 DBADRM CC(=O)N1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001602745247 1018058045 /nfs/dbraw/zinc/05/80/45/1018058045.db2.gz UZJBQHCMOXMGQT-PHIMTYICSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cn2)CCO1 ZINC001602754196 1018059043 /nfs/dbraw/zinc/05/90/43/1018059043.db2.gz ZOQMNKQIQARKRK-NSHDSACASA-N -1 0 307.306 -0.243 20 0 DBADRM CC(=O)NCCN(C(=O)C[C@@H]1CCC(=O)NC1)[C@H](C)C(=O)[O-] ZINC001602753964 1018061694 /nfs/dbraw/zinc/06/16/94/1018061694.db2.gz YBZRNTXGRUZBDV-KOLCDFICSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001602760924 1018061705 /nfs/dbraw/zinc/06/17/05/1018061705.db2.gz QVUCWRUAUXMKKH-MNOVXSKESA-N -1 0 314.338 -0.234 20 0 DBADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccnn1C)N1CCN(C)CC1 ZINC001602788605 1018062243 /nfs/dbraw/zinc/06/22/43/1018062243.db2.gz GZSZOLBSTKNNGQ-ZYHUDNBSSA-N -1 0 309.370 -0.702 20 0 DBADRM CC(=O)c1nc(CCN2CCN(C(=O)C(=O)[O-])CC2)[nH]c1C ZINC001602779269 1018063450 /nfs/dbraw/zinc/06/34/50/1018063450.db2.gz WELKVPFQWUJXOG-UHFFFAOYSA-N -1 0 308.338 -0.308 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)OCC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC001602808743 1018065874 /nfs/dbraw/zinc/06/58/74/1018065874.db2.gz DHYIJRMCHBZVAT-ZETCQYMHSA-N -1 0 315.303 -0.219 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC001602804726 1018066454 /nfs/dbraw/zinc/06/64/54/1018066454.db2.gz JVSRMGWRUJDEQL-HTQZYQBOSA-N -1 0 321.376 -0.280 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001602847711 1018068754 /nfs/dbraw/zinc/06/87/54/1018068754.db2.gz QTGZUCXCKQRYKU-SECBINFHSA-N -1 0 313.354 -0.802 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CC[C@@H](O)C2)n1 ZINC001602838629 1018070050 /nfs/dbraw/zinc/07/00/50/1018070050.db2.gz YDMUKRIWGNZWLU-MRVPVSSYSA-N -1 0 310.310 -0.766 20 0 DBADRM CC(C)(C)n1nnc(CNCCS(=O)(=O)CC(=O)[O-])n1 ZINC001602929202 1018077018 /nfs/dbraw/zinc/07/70/18/1018077018.db2.gz ZBGKADLMSCAFDY-UHFFFAOYSA-N -1 0 305.360 -0.983 20 0 DBADRM CC(=O)N1CCC[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001602927506 1018077439 /nfs/dbraw/zinc/07/74/39/1018077439.db2.gz KDCGHJLIAKNCIE-JTQLQIEISA-N -1 0 302.342 -0.251 20 0 DBADRM CC(=O)N1CCCO[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001602927847 1018078668 /nfs/dbraw/zinc/07/86/68/1018078668.db2.gz SJZXPLVWEBTQLT-SNVBAGLBSA-N -1 0 318.341 -0.872 20 0 DBADRM CC(C)(C)[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(N)=O ZINC001602921396 1018079270 /nfs/dbraw/zinc/07/92/70/1018079270.db2.gz MLXQWGMTZCMASI-SECBINFHSA-N -1 0 321.399 -0.483 20 0 DBADRM CC(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C12CCC2 ZINC001602939117 1018081162 /nfs/dbraw/zinc/08/11/62/1018081162.db2.gz DZIKCJFUDPCBOE-ZJUUUORDSA-N -1 0 314.353 -0.062 20 0 DBADRM CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C12CCC2 ZINC001602939116 1018082294 /nfs/dbraw/zinc/08/22/94/1018082294.db2.gz DZIKCJFUDPCBOE-VHSXEESVSA-N -1 0 314.353 -0.062 20 0 DBADRM CC(C)(CCN1CCOCC1)NC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001602938735 1018084091 /nfs/dbraw/zinc/08/40/91/1018084091.db2.gz UMILGDGYRHFGBL-LLVKDONJSA-N -1 0 313.354 -0.167 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC001602966088 1018085790 /nfs/dbraw/zinc/08/57/90/1018085790.db2.gz TXUFXSWADKEYCT-UWVGGRQHSA-N -1 0 306.384 -0.130 20 0 DBADRM CC(=O)[C@H]1CCCCN1C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001602958321 1018086244 /nfs/dbraw/zinc/08/62/44/1018086244.db2.gz RIWJAYLCBQISFW-PSASIEDQSA-N -1 0 318.341 -0.011 20 0 DBADRM CC(C)(CNC(N)=O)NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001602948601 1018086444 /nfs/dbraw/zinc/08/64/44/1018086444.db2.gz IRZTYNCSKDWRDZ-DTWKUNHWSA-N -1 0 301.343 -0.181 20 0 DBADRM C/C(=C\C(=O)[O-])CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001602957357 1018086386 /nfs/dbraw/zinc/08/63/86/1018086386.db2.gz HHNXTGGEDJOMCA-DHZHZOJOSA-N -1 0 323.349 -0.690 20 0 DBADRM C/C(=C\C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1)C1CC1 ZINC001602952509 1018086420 /nfs/dbraw/zinc/08/64/20/1018086420.db2.gz GWRZXLQKCZFQJI-DSEHVEKOSA-N -1 0 322.361 -0.247 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001602960461 1018087097 /nfs/dbraw/zinc/08/70/97/1018087097.db2.gz DTZQEYOGEOAEJI-ZJUUUORDSA-N -1 0 306.384 -0.259 20 0 DBADRM CC(C)(c1nnc(C(=O)N2CC(C(=O)[O-])C2)o1)S(C)(=O)=O ZINC001602959177 1018087309 /nfs/dbraw/zinc/08/73/09/1018087309.db2.gz UECBQMXQODACAD-UHFFFAOYSA-N -1 0 317.323 -0.494 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCc1cnccn1)C(=O)[O-] ZINC001602978093 1018088708 /nfs/dbraw/zinc/08/87/08/1018088708.db2.gz MNANHEOARLCZIX-NSHDSACASA-N -1 0 308.338 -0.392 20 0 DBADRM C/C(=C/CNC(=O)N1CCc2nn(C)c(=O)cc2C1)C(=O)[O-] ZINC001602972778 1018090108 /nfs/dbraw/zinc/09/01/08/1018090108.db2.gz LTMQKVJVTPWAMX-OQFOIZHKSA-N -1 0 306.322 -0.121 20 0 DBADRM CC(C)[C@H](CNC(=O)NC[C@@]1(CO)COCCN1C)C(=O)[O-] ZINC001602983393 1018091499 /nfs/dbraw/zinc/09/14/99/1018091499.db2.gz PBIFZTLJTZGJOB-SMDDNHRTSA-N -1 0 317.386 -0.665 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CC(O)(c2ncnn2C)C1)C(=O)[O-] ZINC001602978646 1018091733 /nfs/dbraw/zinc/09/17/33/1018091733.db2.gz JMBTZGANLCFUIY-SECBINFHSA-N -1 0 311.342 -0.615 20 0 DBADRM CC(C)[C@H](CNCc1nccn1S(=O)(=O)N(C)C)C(=O)[O-] ZINC001602991036 1018092646 /nfs/dbraw/zinc/09/26/46/1018092646.db2.gz DIEDNYYPSHQZLF-JTQLQIEISA-N -1 0 318.399 -0.016 20 0 DBADRM CC(C)[C@@H](CNCc1nccn1S(=O)(=O)N(C)C)C(=O)[O-] ZINC001602991042 1018093429 /nfs/dbraw/zinc/09/34/29/1018093429.db2.gz DIEDNYYPSHQZLF-SNVBAGLBSA-N -1 0 318.399 -0.016 20 0 DBADRM CC(C)[C@@H](O)CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001602993990 1018093850 /nfs/dbraw/zinc/09/38/50/1018093850.db2.gz URRXALIOSVSNIG-QWRGUYRKSA-N -1 0 315.370 -0.232 20 0 DBADRM C[C@@H](C(=O)N1CC2(C1)CCCOC2)n1cnc(-c2nnn[n-]2)n1 ZINC001602990361 1018095496 /nfs/dbraw/zinc/09/54/96/1018095496.db2.gz IFBBGBYCRJJHLX-VIFPVBQESA-N -1 0 318.341 -0.342 20 0 DBADRM CC(C)[C@H](O)CNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001602993988 1018095543 /nfs/dbraw/zinc/09/55/43/1018095543.db2.gz URRXALIOSVSNIG-GHMZBOCLSA-N -1 0 315.370 -0.232 20 0 DBADRM C[C@H](C(=O)N(C)Cc1nccn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001602990584 1018095581 /nfs/dbraw/zinc/09/55/81/1018095581.db2.gz KNUPYWPHOBDRMH-MRVPVSSYSA-N -1 0 316.329 -0.589 20 0 DBADRM CC(C)C1(O)CN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001602991756 1018095992 /nfs/dbraw/zinc/09/59/92/1018095992.db2.gz WWUPPHBVZOVQAY-MRVPVSSYSA-N -1 0 306.330 -0.752 20 0 DBADRM C[C@H](C(=O)N[C@@H]1C(=O)OCC1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001603007905 1018096471 /nfs/dbraw/zinc/09/64/71/1018096471.db2.gz LSKOPNARGCVDBI-RNFRBKRXSA-N -1 0 320.313 -0.913 20 0 DBADRM CC(=O)N1CCC(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC001603015998 1018096537 /nfs/dbraw/zinc/09/65/37/1018096537.db2.gz FWBREBVQRBARPP-JTQLQIEISA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H](C(=O)NCCn1cnc(-c2nnn[n-]2)n1)c1ccccn1 ZINC001603017790 1018097050 /nfs/dbraw/zinc/09/70/50/1018097050.db2.gz ZNERRLOTAMFEAA-VIFPVBQESA-N -1 0 313.325 -0.227 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N[C@H](Cn2cncn2)C(=O)[O-])C1 ZINC001603019177 1018097715 /nfs/dbraw/zinc/09/77/15/1018097715.db2.gz TTWHORHZTIMJQR-WDEREUQCSA-N -1 0 309.326 -0.894 20 0 DBADRM CC(C)C[C@@H](CO)N(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001603018114 1018098131 /nfs/dbraw/zinc/09/81/31/1018098131.db2.gz MEZIFXWMKBBHJG-QWRGUYRKSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@@H](C(=O)NCCc1cscn1)n1cnc(-c2nnn[n-]2)n1 ZINC001603017084 1018099561 /nfs/dbraw/zinc/09/95/61/1018099561.db2.gz ODMISIIJNRIZGB-ZETCQYMHSA-N -1 0 319.354 -0.165 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC001603016466 1018099987 /nfs/dbraw/zinc/09/99/87/1018099987.db2.gz LFMLSAFAUWXOPO-SWLSCSKDSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001603015960 1018100002 /nfs/dbraw/zinc/10/00/02/1018100002.db2.gz FIPHEFNPYDONPJ-CQSZACIVSA-N -1 0 313.354 -0.658 20 0 DBADRM C[C@H](C(=O)OCCOC(F)F)n1cnc(-c2nnn[n-]2)n1 ZINC001603031623 1018104971 /nfs/dbraw/zinc/10/49/71/1018104971.db2.gz IMWUYGMJGKOSFS-RXMQYKEDSA-N -1 0 303.229 -0.198 20 0 DBADRM C[C@H](C(=O)Nc1ccc(F)nn1)n1cnc(-c2nnn[n-]2)n1 ZINC001603029262 1018105502 /nfs/dbraw/zinc/10/55/02/1018105502.db2.gz WIJZUSCEAZRCBN-RXMQYKEDSA-N -1 0 304.249 -0.413 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CC1 ZINC001603025654 1018105844 /nfs/dbraw/zinc/10/58/44/1018105844.db2.gz IQGCIHCHAXVVFF-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001603035715 1018108085 /nfs/dbraw/zinc/10/80/85/1018108085.db2.gz KNEJJYBVSNNJJF-VIFPVBQESA-N -1 0 321.337 -0.652 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001603035955 1018108418 /nfs/dbraw/zinc/10/84/18/1018108418.db2.gz XYTGHVHURQNDRI-PSASIEDQSA-N -1 0 309.326 -0.336 20 0 DBADRM C[C@@H](C(=O)OCC(=O)c1ccc[nH]1)n1cnc(-c2nnn[n-]2)n1 ZINC001603033612 1018109212 /nfs/dbraw/zinc/10/92/12/1018109212.db2.gz ZIYHIRNRMYILTG-ZETCQYMHSA-N -1 0 316.281 -0.227 20 0 DBADRM C[C@H](C(=O)OC[C@@H]1CCCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603032289 1018109321 /nfs/dbraw/zinc/10/93/21/1018109321.db2.gz PHSOROCWKKRVNH-RKDXNWHRSA-N -1 0 307.314 -0.011 20 0 DBADRM CC(=O)N[C@H](C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)C(C)C ZINC001603034751 1018110352 /nfs/dbraw/zinc/11/03/52/1018110352.db2.gz BVVJYIJGFARTNT-FZMZJTMJSA-N -1 0 311.338 -0.021 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001603035714 1018110540 /nfs/dbraw/zinc/11/05/40/1018110540.db2.gz KNEJJYBVSNNJJF-SECBINFHSA-N -1 0 321.337 -0.652 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N(C)CCC(=O)[O-] ZINC001603065526 1018114560 /nfs/dbraw/zinc/11/45/60/1018114560.db2.gz KIKQSYRLCGOWLQ-UHFFFAOYSA-N -1 0 322.383 -0.799 20 0 DBADRM CC(=O)N[C@@H](CSCC1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001603056466 1018114703 /nfs/dbraw/zinc/11/47/03/1018114703.db2.gz KXNSUJAQVJFAFT-VIFPVBQESA-N -1 0 310.397 -0.800 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001603047502 1018115131 /nfs/dbraw/zinc/11/51/31/1018115131.db2.gz APZQLOSRWCGLEG-XPTSAGLGSA-N -1 0 313.354 -0.850 20 0 DBADRM CC(C)OC[C@@H]1CN([C@H]2CCN(CC(=O)[O-])C2=O)CCO1 ZINC001603075731 1018116507 /nfs/dbraw/zinc/11/65/07/1018116507.db2.gz IQHQITRHTVOKAL-RYUDHWBXSA-N -1 0 300.355 -0.202 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)N(C)[C@@H]2COC[C@H]2O)c(C(=O)[O-])c1C ZINC001603088964 1018118126 /nfs/dbraw/zinc/11/81/26/1018118126.db2.gz RALYPLZORGSAME-GHMZBOCLSA-N -1 0 324.333 -0.015 20 0 DBADRM CC(=O)Nc1cccc(C(=O)NCC(=O)NCC(=O)[O-])c1C ZINC001603078305 1018120065 /nfs/dbraw/zinc/12/00/65/1018120065.db2.gz JCZDWKYAKOGEFC-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC001603134645 1018121929 /nfs/dbraw/zinc/12/19/29/1018121929.db2.gz ZRPDMURQKPNAMZ-BDAKNGLRSA-N -1 0 324.424 -0.315 20 0 DBADRM CC(C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1)=C1CCC1 ZINC001603139418 1018122615 /nfs/dbraw/zinc/12/26/15/1018122615.db2.gz CPWQJMNDGQSVCC-NWDGAFQWSA-N -1 0 322.361 -0.103 20 0 DBADRM CC(=O)c1cn(CC(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)nn1 ZINC001603123678 1018123837 /nfs/dbraw/zinc/12/38/37/1018123837.db2.gz INXXEDAFIJSRHH-LLVKDONJSA-N -1 0 324.337 -0.037 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCO[C@]2(CCOC2)C1)C(=O)[O-] ZINC001603145300 1018125299 /nfs/dbraw/zinc/12/52/99/1018125299.db2.gz OVSNMBWXVONNKM-QMTHXVAHSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N(C)CCCn1ccnc1)C(=O)[O-] ZINC001603145472 1018126548 /nfs/dbraw/zinc/12/65/48/1018126548.db2.gz RKOTVEKPVVMRAO-LLVKDONJSA-N -1 0 310.354 -0.089 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC001603145000 1018126760 /nfs/dbraw/zinc/12/67/60/1018126760.db2.gz KYGDWUYBBGVNEU-VWYCJHECSA-N -1 0 315.370 -0.999 20 0 DBADRM C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c1nnnn1C1CC1 ZINC001603145286 1018127233 /nfs/dbraw/zinc/12/72/33/1018127233.db2.gz ORCVHQKIWFCFMP-JGVFFNPUSA-N -1 0 324.341 -0.636 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C(F)(F)F ZINC001603148345 1018129492 /nfs/dbraw/zinc/12/94/92/1018129492.db2.gz NTAFGVDXKPDVDU-PHDIDXHHSA-N -1 0 303.258 -0.105 20 0 DBADRM C[C@@H](C(=O)N[C@H](CCC1OCCO1)C(=O)[O-])S(C)(=O)=O ZINC001603155456 1018130837 /nfs/dbraw/zinc/13/08/37/1018130837.db2.gz PEUSKKGGNCGUQV-JGVFFNPUSA-N -1 0 309.340 -0.858 20 0 DBADRM C[C@@H](C(=O)N[C@@H](CF)C(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC001603154432 1018130960 /nfs/dbraw/zinc/13/09/60/1018130960.db2.gz DTOCQCWQHLMQEG-YUMQZZPRSA-N -1 0 315.301 -0.222 20 0 DBADRM C[C@H](C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-])C1CC1 ZINC001603149317 1018131024 /nfs/dbraw/zinc/13/10/24/1018131024.db2.gz OYYIIVMEUQYFTJ-HGNGGELXSA-N -1 0 309.322 -0.362 20 0 DBADRM C[C@H](CN(C)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC001603150264 1018131640 /nfs/dbraw/zinc/13/16/40/1018131640.db2.gz PANKSFZYUIUPJQ-MXWKQRLJSA-N -1 0 315.370 -0.016 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCCO1)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001603164220 1018134010 /nfs/dbraw/zinc/13/40/10/1018134010.db2.gz KAPJWIYJVCTSMU-KKOKHZNYSA-N -1 0 300.355 -0.156 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@@H](C)CN1CCCC1=O)C(=O)[O-] ZINC001603158633 1018136454 /nfs/dbraw/zinc/13/64/54/1018136454.db2.gz BPPHUMKIBBNNNY-ZJUUUORDSA-N -1 0 313.354 -0.707 20 0 DBADRM C[C@H](CN1CCCC1=O)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603159121 1018136469 /nfs/dbraw/zinc/13/64/69/1018136469.db2.gz PPUIIYJIROSWCF-SNVBAGLBSA-N -1 0 321.333 -0.326 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC001603162022 1018136932 /nfs/dbraw/zinc/13/69/32/1018136932.db2.gz UEZRENARTRACML-WCBMZHEXSA-N -1 0 324.337 -0.090 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])Cn1cccn1 ZINC001603158951 1018137398 /nfs/dbraw/zinc/13/73/98/1018137398.db2.gz MTBCKNJEDMAOQB-MNOVXSKESA-N -1 0 310.354 -0.186 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001603158826 1018137484 /nfs/dbraw/zinc/13/74/84/1018137484.db2.gz GELBFRMKWLSYTH-WDEREUQCSA-N -1 0 315.370 -0.998 20 0 DBADRM C[C@@H](CN1CCCC1=O)n1nnnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001603158938 1018137622 /nfs/dbraw/zinc/13/76/22/1018137622.db2.gz LZQGQMDEMPLLIS-VHSXEESVSA-N -1 0 308.342 -0.233 20 0 DBADRM C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1N)C(=O)[O-] ZINC001603168950 1018138575 /nfs/dbraw/zinc/13/85/75/1018138575.db2.gz CIZSIXFOJTVOGP-QMMMGPOBSA-N -1 0 315.351 -0.616 20 0 DBADRM CC(C)(O)CO[N-]C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001603172897 1018139742 /nfs/dbraw/zinc/13/97/42/1018139742.db2.gz XGZAYOSAZRKTJU-SNVBAGLBSA-N -1 0 307.310 -0.281 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)CC1)C(=O)[O-] ZINC001603166456 1018140807 /nfs/dbraw/zinc/14/08/07/1018140807.db2.gz IZFAPNPGGLCYSX-GUBZILKMSA-N -1 0 313.354 -0.769 20 0 DBADRM C[C@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])N1CCN(C)CC1 ZINC001603175334 1018141592 /nfs/dbraw/zinc/14/15/92/1018141592.db2.gz UWBKHFGVVBWMIK-ZYHUDNBSSA-N -1 0 309.370 -0.843 20 0 DBADRM C[C@H](C(=O)NC[C@H](C)C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001603166441 1018141938 /nfs/dbraw/zinc/14/19/38/1018141938.db2.gz INCRDVSUAPPLFQ-DTWKUNHWSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@H](CNC(=O)NC[C@]12COC(=O)N1CCOC2)C(=O)[O-] ZINC001603176395 1018142430 /nfs/dbraw/zinc/14/24/30/1018142430.db2.gz DFRGNJXPCWYGNP-PELKAZGASA-N -1 0 301.299 -0.773 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)CN1C(=O)C(=O)N(C)C1=O)C1CCC1 ZINC001603196125 1018144650 /nfs/dbraw/zinc/14/46/50/1018144650.db2.gz ONZDMEBRRPNAMY-ZETCQYMHSA-N -1 0 311.294 -0.739 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC=C[C@@H]1CO)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603211027 1018146337 /nfs/dbraw/zinc/14/63/37/1018146337.db2.gz RYTZMVLUISSJJR-WISYIIOYSA-N -1 0 324.377 -0.003 20 0 DBADRM C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)C1(S(C)(=O)=O)CC1 ZINC001603215658 1018146359 /nfs/dbraw/zinc/14/63/59/1018146359.db2.gz JQQGCWWGLNBYHO-PRHODGIISA-N -1 0 305.352 -0.298 20 0 DBADRM C[C@H](NC(=O)[C@@H](CO)NC(N)=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603215934 1018146540 /nfs/dbraw/zinc/14/65/40/1018146540.db2.gz LPQHPHCFHSHYNV-RBXMUDONSA-N -1 0 301.343 -0.733 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1nccc(N)n1 ZINC001603218828 1018147069 /nfs/dbraw/zinc/14/70/69/1018147069.db2.gz IYBVPBHQJOXMSM-RKDXNWHRSA-N -1 0 321.337 -0.441 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1nccc(N)n1 ZINC001603218827 1018147867 /nfs/dbraw/zinc/14/78/67/1018147867.db2.gz IYBVPBHQJOXMSM-IUCAKERBSA-N -1 0 321.337 -0.441 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1cnn(C)c1 ZINC001603210307 1018148776 /nfs/dbraw/zinc/14/87/76/1018148776.db2.gz GGEPZVUUROIUJN-NXEZZACHSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ncn(C)n1 ZINC001603211041 1018148867 /nfs/dbraw/zinc/14/88/67/1018148867.db2.gz SLRGOCKJTVUEFH-OQPBUACISA-N -1 0 309.326 -0.685 20 0 DBADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CNOC2)C1 ZINC001603249867 1018150222 /nfs/dbraw/zinc/15/02/22/1018150222.db2.gz HRXLAYKFWNOWFT-UWVGGRQHSA-N -1 0 313.354 -0.645 20 0 DBADRM CC(C)[C@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001603245517 1018150430 /nfs/dbraw/zinc/15/04/30/1018150430.db2.gz INSJIDLLPXUYLE-MRVPVSSYSA-N -1 0 305.342 -0.122 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1cnc(CC2CC2)nc1)C(=O)[O-] ZINC001603256175 1018150570 /nfs/dbraw/zinc/15/05/70/1018150570.db2.gz IRIAXNFCEWBVDL-AWEZNQCLSA-N -1 0 322.321 -0.681 20 0 DBADRM CC(C)[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001603245500 1018150772 /nfs/dbraw/zinc/15/07/72/1018150772.db2.gz ICBAPTWBJDNMLR-QMMMGPOBSA-N -1 0 305.342 -0.264 20 0 DBADRM C[C@@H](NC(=O)NCCOCCOCC(=O)[O-])c1ccn(C)n1 ZINC001603232735 1018151100 /nfs/dbraw/zinc/15/11/00/1018151100.db2.gz UZCXOMCBMRNEPT-SNVBAGLBSA-N -1 0 314.342 -0.102 20 0 DBADRM CC(C)(C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1)c1c[nH]cn1 ZINC001603235312 1018151263 /nfs/dbraw/zinc/15/12/63/1018151263.db2.gz LWFWGKVDHNEQFH-NXEZZACHSA-N -1 0 320.349 -0.265 20 0 DBADRM CC(C)(C(=O)NCCC(=O)NCCC(=O)[O-])N1CCOCC1 ZINC001603235377 1018152344 /nfs/dbraw/zinc/15/23/44/1018152344.db2.gz ODDPIJBXEYSFDK-UHFFFAOYSA-N -1 0 315.370 -0.806 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1CCCN1Cc1ccccn1)C(=O)[O-] ZINC001603256032 1018153323 /nfs/dbraw/zinc/15/33/23/1018153323.db2.gz CGRCEHGYWDVIRK-WFASDCNBSA-N -1 0 307.350 -0.002 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001603265857 1018154456 /nfs/dbraw/zinc/15/44/56/1018154456.db2.gz NUHXAMNLRLRMNS-XXILOJSOSA-N -1 0 312.366 -0.121 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)C1CC1 ZINC001603266212 1018154958 /nfs/dbraw/zinc/15/49/58/1018154958.db2.gz RCCUEMFSORQMLS-JFGNBEQYSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC001603264748 1018155478 /nfs/dbraw/zinc/15/54/78/1018155478.db2.gz CMDMAKVOUZCWMC-QWRGUYRKSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1ccnn1C[C@@H]1CCOC1)C(=O)[O-] ZINC001603256759 1018155516 /nfs/dbraw/zinc/15/55/16/1018155516.db2.gz GGPRTMQBXQUTDE-TVQRCGJNSA-N -1 0 312.326 -0.123 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001603265853 1018155723 /nfs/dbraw/zinc/15/57/23/1018155723.db2.gz NUHXAMNLRLRMNS-AXTRIDKLSA-N -1 0 312.366 -0.121 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1cnc2n1CCCC2)C(=O)[O-] ZINC001603262695 1018156002 /nfs/dbraw/zinc/15/60/02/1018156002.db2.gz AVTIEMYQWYUEJD-LLVKDONJSA-N -1 0 303.340 -0.667 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001603266238 1018156052 /nfs/dbraw/zinc/15/60/52/1018156052.db2.gz RJNQFOCPKKSIMC-SNVBAGLBSA-N -1 0 316.354 -0.787 20 0 DBADRM C[C@@](O)(CNC(=O)c1cccn(CC(F)(F)F)c1=O)C(=O)[O-] ZINC001603261576 1018156594 /nfs/dbraw/zinc/15/65/94/1018156594.db2.gz HVWXTWJSZARSHD-LLVKDONJSA-N -1 0 322.239 -0.024 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1cnn(C2CCC2)c1)C(=O)[O-] ZINC001603263616 1018156814 /nfs/dbraw/zinc/15/68/14/1018156814.db2.gz NVJRCHZEKBZUBL-NSHDSACASA-N -1 0 303.340 -0.278 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])[C@H]1CO ZINC001603416139 1018181946 /nfs/dbraw/zinc/18/19/46/1018181946.db2.gz MJIYULCUFZMMTB-QWRGUYRKSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCO1 ZINC001603266771 1018158358 /nfs/dbraw/zinc/15/83/58/1018158358.db2.gz ZIRCAYQIJKBKHS-WCBMZHEXSA-N -1 0 323.305 -0.674 20 0 DBADRM C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)OCC(=O)[O-])cc1 ZINC001603268426 1018158916 /nfs/dbraw/zinc/15/89/16/1018158916.db2.gz JEFDHMLKPSBRRD-QMMMGPOBSA-N -1 0 317.319 -0.413 20 0 DBADRM CC(C)(C(N)=O)C(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001603293189 1018159621 /nfs/dbraw/zinc/15/96/21/1018159621.db2.gz DHQAXPQLYRVVIU-MRVPVSSYSA-N -1 0 321.337 -0.879 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)CCO1 ZINC001603266704 1018160453 /nfs/dbraw/zinc/16/04/53/1018160453.db2.gz XXNSLEVUTYLALC-ONGXEEELSA-N -1 0 310.306 -0.845 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001603312386 1018162437 /nfs/dbraw/zinc/16/24/37/1018162437.db2.gz DDBDFWBHLWHZCS-ZNSHCXBVSA-N -1 0 303.355 -0.107 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)N2CC(O)(C(=O)[O-])C2)nn1 ZINC001603296748 1018162750 /nfs/dbraw/zinc/16/27/50/1018162750.db2.gz WPPVEBUBJZJHDL-UHFFFAOYSA-N -1 0 310.310 -0.835 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc3ncnn3c2)C1 ZINC001603297460 1018162766 /nfs/dbraw/zinc/16/27/66/1018162766.db2.gz XJQFLBFUOHXZMA-AWEZNQCLSA-N -1 0 317.305 -0.009 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC([C@@H]3CCOC3)C2)C1 ZINC001603297143 1018163009 /nfs/dbraw/zinc/16/30/09/1018163009.db2.gz IPIRUIHUYLQBNA-BMIGLBTASA-N -1 0 310.350 -0.196 20 0 DBADRM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001603298578 1018163162 /nfs/dbraw/zinc/16/31/62/1018163162.db2.gz NMFLNMLKBXXIMZ-IUCAKERBSA-N -1 0 318.395 -0.114 20 0 DBADRM CC(C)(C)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001603301213 1018163221 /nfs/dbraw/zinc/16/32/21/1018163221.db2.gz UICNKYFNLUMPHV-BDAKNGLRSA-N -1 0 308.338 -0.113 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccnc(S(N)(=O)=O)c2)C1 ZINC001603307389 1018163613 /nfs/dbraw/zinc/16/36/13/1018163613.db2.gz WKDXLUYOQJPDMZ-GFCCVEGCSA-N -1 0 313.335 -0.334 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC001603297466 1018163832 /nfs/dbraw/zinc/16/38/32/1018163832.db2.gz XPNXHBXCTQTCDJ-ZUZCIYMTSA-N -1 0 310.350 -0.317 20 0 DBADRM CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001603295765 1018164014 /nfs/dbraw/zinc/16/40/14/1018164014.db2.gz NPEHSZSSOSDKRW-KYZUINATSA-N -1 0 321.337 -0.255 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1nnc2n1CCNC2=O ZINC001603321743 1018165372 /nfs/dbraw/zinc/16/53/72/1018165372.db2.gz WMVPXKVMBNMOCN-ZDUSSCGKSA-N -1 0 307.310 -0.861 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001603321606 1018165680 /nfs/dbraw/zinc/16/56/80/1018165680.db2.gz VDKJXLXQKPVLLJ-CQSZACIVSA-N -1 0 307.306 -0.227 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC001603322274 1018165839 /nfs/dbraw/zinc/16/58/39/1018165839.db2.gz JUDOZTPKRZBZRU-ZDUSSCGKSA-N -1 0 307.310 -0.739 20 0 DBADRM CC1(C)C[C@H](NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC001603315286 1018166432 /nfs/dbraw/zinc/16/64/32/1018166432.db2.gz AUUKSNSSLQOMAD-NXEZZACHSA-N -1 0 314.338 -0.628 20 0 DBADRM CC1(C)SC[C@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603336361 1018167409 /nfs/dbraw/zinc/16/74/09/1018167409.db2.gz GXSOGOFRWVDTCB-SSDOTTSWSA-N -1 0 312.351 -0.084 20 0 DBADRM CC(C)(C)C[C@@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)C(=O)[O-] ZINC001603328512 1018167532 /nfs/dbraw/zinc/16/75/32/1018167532.db2.gz YGPPEUUPOOSMFX-GHMZBOCLSA-N -1 0 313.354 -0.145 20 0 DBADRM CC(C)(C)[C@@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001603313585 1018168216 /nfs/dbraw/zinc/16/82/16/1018168216.db2.gz RIQIEVJCSJXWRO-SCZZXKLOSA-N -1 0 307.368 -0.506 20 0 DBADRM CC1(C)[C@H](O)C[C@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603314766 1018168353 /nfs/dbraw/zinc/16/83/53/1018168353.db2.gz OMFNPTZYLIRVTE-HTQZYQBOSA-N -1 0 310.310 -0.818 20 0 DBADRM CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001603345684 1018170200 /nfs/dbraw/zinc/17/02/00/1018170200.db2.gz RBXZIBUBCNRBRS-SNVBAGLBSA-N -1 0 323.353 -0.118 20 0 DBADRM CC(C)(C)N1CC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001603344998 1018170551 /nfs/dbraw/zinc/17/05/51/1018170551.db2.gz YXTUJJIOYKXSOZ-NXEZZACHSA-N -1 0 318.395 -0.431 20 0 DBADRM C[C@@]12COC[C@@H]1CN(S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C2 ZINC001603348332 1018170756 /nfs/dbraw/zinc/17/07/56/1018170756.db2.gz RMYWWVMFOYJXOZ-JBLDHEPKSA-N -1 0 304.368 -0.252 20 0 DBADRM CC1=C(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)Cn2nnnc2N1C ZINC001603348418 1018170835 /nfs/dbraw/zinc/17/08/35/1018170835.db2.gz WYGRHCIZAZKZFF-QMMMGPOBSA-N -1 0 306.326 -0.139 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)O1 ZINC001603336493 1018170846 /nfs/dbraw/zinc/17/08/46/1018170846.db2.gz KBDWBKIQOZICCL-VHSXEESVSA-N -1 0 314.338 -0.423 20 0 DBADRM C[C@@]1(CCC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCC(=O)N1 ZINC001603339489 1018171272 /nfs/dbraw/zinc/17/12/72/1018171272.db2.gz GUGYQLIJDKNLLG-AWEZNQCLSA-N -1 0 311.338 -0.809 20 0 DBADRM COCCCN1CC(N(C)C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001499753829 1018171835 /nfs/dbraw/zinc/17/18/35/1018171835.db2.gz QZCQFCAZUVSEOI-UHFFFAOYSA-N -1 0 319.365 -0.185 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2nncn2C)C1 ZINC001603355148 1018173491 /nfs/dbraw/zinc/17/34/91/1018173491.db2.gz OMAAZWVBKKICEH-ZJUUUORDSA-N -1 0 323.353 -0.657 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NC[C@@H](O)CC(=O)[O-])C1 ZINC001603359162 1018173813 /nfs/dbraw/zinc/17/38/13/1018173813.db2.gz PVQWGKVIBZRRAX-IONNQARKSA-N -1 0 316.310 -0.575 20 0 DBADRM CC(C)(C)OC(=O)[C@@]1(C(=O)N[C@H](CO)C(=O)[O-])CCCO1 ZINC001603359470 1018173961 /nfs/dbraw/zinc/17/39/61/1018173961.db2.gz YNWYKXPUQCFJHH-OQPBUACISA-N -1 0 303.311 -0.561 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001603360652 1018174077 /nfs/dbraw/zinc/17/40/77/1018174077.db2.gz VTJCLCPHGPECJQ-ZJUUUORDSA-N -1 0 311.338 -0.112 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NC[C@H](O)CC(=O)[O-])C1 ZINC001603359163 1018174246 /nfs/dbraw/zinc/17/42/46/1018174246.db2.gz PVQWGKVIBZRRAX-VXNVDRBHSA-N -1 0 316.310 -0.575 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001603353950 1018174313 /nfs/dbraw/zinc/17/43/13/1018174313.db2.gz DLBGYOBLYPIXDV-SECBINFHSA-N -1 0 319.317 -0.101 20 0 DBADRM CC(C)(C)OC(=O)[C@@]1(C(=O)NCC[C@H](O)C(=O)[O-])CCCO1 ZINC001603357613 1018174590 /nfs/dbraw/zinc/17/45/90/1018174590.db2.gz JFCRKCHEJVYJHU-XPTSAGLGSA-N -1 0 317.338 -0.171 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)C1 ZINC001603355096 1018174925 /nfs/dbraw/zinc/17/49/25/1018174925.db2.gz NKKNDAPJJZATJA-NXEZZACHSA-N -1 0 321.333 -0.107 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nnc(CS(C)(=O)=O)n2C)C1 ZINC001603372191 1018178622 /nfs/dbraw/zinc/17/86/22/1018178622.db2.gz LTXXZTJGELYIHC-BDAKNGLRSA-N -1 0 316.383 -0.093 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CN(C)S(=O)(=O)N(C)C ZINC001603380286 1018179083 /nfs/dbraw/zinc/17/90/83/1018179083.db2.gz FHQXNDCQGHRBCD-NXEZZACHSA-N -1 0 321.399 -0.564 20 0 DBADRM C[C@H]1CCCN(S(=O)(=O)CCN2CCOC2=O)[C@@H]1C(=O)[O-] ZINC001603414822 1018180555 /nfs/dbraw/zinc/18/05/55/1018180555.db2.gz KCQVZPJHTLQULL-UWVGGRQHSA-N -1 0 320.367 -0.047 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)[C@@H]1CO ZINC001603416472 1018181175 /nfs/dbraw/zinc/18/11/75/1018181175.db2.gz RQCMYZDVLAHRJK-GZMMTYOYSA-N -1 0 307.306 -0.052 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)[C@H]1CO ZINC001603415576 1018181443 /nfs/dbraw/zinc/18/14/43/1018181443.db2.gz FYIBGWFFFFMVIO-IUCAKERBSA-N -1 0 310.310 -0.865 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(C(=O)CC(=O)[O-])[C@H](CO)C1 ZINC001603417787 1018181866 /nfs/dbraw/zinc/18/18/66/1018181866.db2.gz JTHMCEYMJMNKMJ-VIFPVBQESA-N -1 0 302.327 -0.099 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(CCO)C2CCC2)CC[C@@H]1C(=O)[O-] ZINC001603439526 1018183897 /nfs/dbraw/zinc/18/38/97/1018183897.db2.gz OYNXPYINASZWME-JQWIXIFHSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(=O)[O-])C[C@]2(CCCOC2)O1 ZINC001603440640 1018184572 /nfs/dbraw/zinc/18/45/72/1018184572.db2.gz YYDDHMZYCPXNRS-YGRLFVJLSA-N -1 0 314.338 -0.626 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCC(=O)[O-])CC2(CCOCC2)O1 ZINC001603439197 1018185710 /nfs/dbraw/zinc/18/57/10/1018185710.db2.gz KBRJZTARCVRPSO-JTQLQIEISA-N -1 0 314.338 -0.626 20 0 DBADRM C[C@@H]1CN([C@H]2CCN(CC(=O)[O-])C2=O)C[C@@]2(CCCOC2)O1 ZINC001603462429 1018186999 /nfs/dbraw/zinc/18/69/99/1018186999.db2.gz YSBSXWKCUQXWHR-TYNCELHUSA-N -1 0 312.366 -0.058 20 0 DBADRM C[C@H]1CN(C(=S)NCCNS(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC001603461424 1018187238 /nfs/dbraw/zinc/18/72/38/1018187238.db2.gz PBVZMRQGEYFPQB-DTWKUNHWSA-N -1 0 323.440 -0.547 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCc2nnnn2C)CC[C@H]1C(=O)[O-] ZINC001603449928 1018188337 /nfs/dbraw/zinc/18/83/37/1018188337.db2.gz CEEOZHZNMMHJNM-NXEZZACHSA-N -1 0 310.358 -0.105 20 0 DBADRM C[C@@H](CC(C)(C)O)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001603451661 1018188671 /nfs/dbraw/zinc/18/86/71/1018188671.db2.gz RPLHUPJUNJIFDR-LURJTMIESA-N -1 0 309.330 -0.373 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001603462473 1018189022 /nfs/dbraw/zinc/18/90/22/1018189022.db2.gz ZNEDERYYCVVXPP-VIFPVBQESA-N -1 0 319.383 -0.810 20 0 DBADRM CC[C@H](C)[C@@H](O)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603511423 1018197942 /nfs/dbraw/zinc/19/79/42/1018197942.db2.gz ZAZXLAMJOQHVAS-UWVGGRQHSA-N -1 0 321.395 -0.211 20 0 DBADRM C[C@H]1CN(c2nnc(CS(C)(=O)=O)n2C)CC[C@H]1C(=O)[O-] ZINC001603470449 1018191921 /nfs/dbraw/zinc/19/19/21/1018191921.db2.gz JNPKOINCSUPARE-DTWKUNHWSA-N -1 0 316.383 -0.093 20 0 DBADRM C[C@@H]1CN(c2nnnn2CCC(=O)N(C)C)CC[C@@H]1C(=O)[O-] ZINC001603471224 1018192877 /nfs/dbraw/zinc/19/28/77/1018192877.db2.gz ZPLMEWBVKITHAC-ZJUUUORDSA-N -1 0 310.358 -0.302 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001603485818 1018193731 /nfs/dbraw/zinc/19/37/31/1018193731.db2.gz GSVUERPUIIONGG-PGUXBMHVSA-N -1 0 310.350 -0.196 20 0 DBADRM CC[C@H](C(=O)OC)C(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001603504694 1018195638 /nfs/dbraw/zinc/19/56/38/1018195638.db2.gz LALRYFZYULGZCC-TVQRCGJNSA-N -1 0 303.311 -0.486 20 0 DBADRM C[C@H](CNC(=O)C(C)(C)F)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001603521804 1018196426 /nfs/dbraw/zinc/19/64/26/1018196426.db2.gz ZMTQBGQSECHXBU-QMMMGPOBSA-N -1 0 322.348 -0.009 20 0 DBADRM CC(C)(C)c1cc2ncn(CC(=O)NCCC(=O)[O-])c(=O)n2n1 ZINC001603533880 1018196566 /nfs/dbraw/zinc/19/65/66/1018196566.db2.gz ZTAZNEWXKUFSJX-UHFFFAOYSA-N -1 0 321.337 -0.221 20 0 DBADRM CC[C@H](CNC(=O)N1CCC(OCC(N)=O)CC1)C(=O)[O-] ZINC001603556691 1018206341 /nfs/dbraw/zinc/20/63/41/1018206341.db2.gz KTKICJSXRSBYKV-SECBINFHSA-N -1 0 301.343 -0.227 20 0 DBADRM C[C@@H](CNC(=O)C(C)(C)F)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001603521802 1018198314 /nfs/dbraw/zinc/19/83/14/1018198314.db2.gz ZMTQBGQSECHXBU-MRVPVSSYSA-N -1 0 322.348 -0.009 20 0 DBADRM C[C@@H](CNC(=O)c1cocn1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001603547342 1018201704 /nfs/dbraw/zinc/20/17/04/1018201704.db2.gz CLALRGHAECCHEG-ZETCQYMHSA-N -1 0 315.297 -0.703 20 0 DBADRM CC[C@@H](CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)C(=O)[O-] ZINC001603565541 1018206276 /nfs/dbraw/zinc/20/62/76/1018206276.db2.gz BJRVROVBBOQHQI-CIUDSAMLSA-N -1 0 317.342 -0.537 20 0 DBADRM CCCN(CC(=O)[O-])[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001603666815 1018218835 /nfs/dbraw/zinc/21/88/35/1018218835.db2.gz QZHDSYXKWBTLRN-UWVGGRQHSA-N -1 0 306.384 -0.525 20 0 DBADRM CC[C@@H](CS(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)OC ZINC001603574459 1018207571 /nfs/dbraw/zinc/20/75/71/1018207571.db2.gz APMOLXQEZVQIRP-NHCYSSNCSA-N -1 0 307.368 -0.226 20 0 DBADRM CC[C@@]1(C)CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC001603608657 1018208864 /nfs/dbraw/zinc/20/88/64/1018208864.db2.gz CGNKVBNSVBXALS-YGRLFVJLSA-N -1 0 314.338 -0.674 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(C)CCCO)C1 ZINC001603593642 1018212342 /nfs/dbraw/zinc/21/23/42/1018212342.db2.gz ISRGEKAVOHKQLM-CQSZACIVSA-N -1 0 300.355 -0.069 20 0 DBADRM CC[C@@]1(O)CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001603617015 1018213235 /nfs/dbraw/zinc/21/32/35/1018213235.db2.gz NYDHXIBEKMRVLW-GFCCVEGCSA-N -1 0 306.384 -0.125 20 0 DBADRM CCC[C@](C)(O)CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603627874 1018213867 /nfs/dbraw/zinc/21/38/67/1018213867.db2.gz LCVUTSZKVZASLN-ZDUSSCGKSA-N -1 0 312.326 -0.427 20 0 DBADRM CC(C)(CNC(=O)NCC(=O)N1CCOCC1)CC(=O)[O-] ZINC001603630972 1018214672 /nfs/dbraw/zinc/21/46/72/1018214672.db2.gz RSXAPTLMSSRQMT-UHFFFAOYSA-N -1 0 301.343 -0.355 20 0 DBADRM CC(C)(CNC(=O)C(=O)N1CC(F)(F)C[C@@H]1CO)CC(=O)[O-] ZINC001603619088 1018215141 /nfs/dbraw/zinc/21/51/41/1018215141.db2.gz XIUMYXLYRYKFCS-MRVPVSSYSA-N -1 0 322.308 -0.168 20 0 DBADRM CC(C)(CS(=O)(=O)NCCCS(C)(=O)=O)C(=O)[O-] ZINC001603659508 1018216324 /nfs/dbraw/zinc/21/63/24/1018216324.db2.gz CRJIOBQYCOHABJ-UHFFFAOYSA-N -1 0 301.386 -0.549 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001603639702 1018216605 /nfs/dbraw/zinc/21/66/05/1018216605.db2.gz AZYUTGAXYXHTJJ-BHDSKKPTSA-N -1 0 313.354 -0.227 20 0 DBADRM CCCCOC(=O)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603648497 1018217550 /nfs/dbraw/zinc/21/75/50/1018217550.db2.gz LRMGFMUPOPXQCP-SNVBAGLBSA-N -1 0 314.338 -0.231 20 0 DBADRM CC(C)(CNS(C)(=O)=O)NC(=O)c1cc(C(=O)[O-])ccn1 ZINC001603647624 1018217787 /nfs/dbraw/zinc/21/77/87/1018217787.db2.gz IVJWRAPSMAEPHU-UHFFFAOYSA-N -1 0 315.351 -0.163 20 0 DBADRM CC(C)(CS(=O)(=O)N[C@@H](C(N)=O)c1ccccn1)C(=O)[O-] ZINC001603659780 1018217812 /nfs/dbraw/zinc/21/78/12/1018217812.db2.gz FWZKKEZZSJEBES-SECBINFHSA-N -1 0 315.351 -0.362 20 0 DBADRM CCCN(CCO)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603672773 1018218725 /nfs/dbraw/zinc/21/87/25/1018218725.db2.gz RSPRMAVNXLHPOA-UHFFFAOYSA-N -1 0 307.368 -0.503 20 0 DBADRM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC001603678884 1018218931 /nfs/dbraw/zinc/21/89/31/1018218931.db2.gz OGEFKPVEGXOOML-JGVFFNPUSA-N -1 0 321.341 -0.107 20 0 DBADRM CCCN(CC(=O)[O-])[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001603666827 1018218993 /nfs/dbraw/zinc/21/89/93/1018218993.db2.gz UARRLENLQSHQQL-GHMZBOCLSA-N -1 0 320.411 -0.183 20 0 DBADRM CCCNC(=O)CN1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001603674670 1018219233 /nfs/dbraw/zinc/21/92/33/1018219233.db2.gz QUDRKPZIXKLZKK-NSHDSACASA-N -1 0 311.382 -0.090 20 0 DBADRM CCCNC(=O)CN1CCC(NC(=O)[C@H](OC)C(=O)[O-])CC1 ZINC001603674276 1018219315 /nfs/dbraw/zinc/21/93/15/1018219315.db2.gz DWVJWSWJJKBFJP-LBPRGKRZSA-N -1 0 315.370 -0.807 20 0 DBADRM CC(C)(NC(=O)Cn1cc(C(=O)[O-])nn1)[C@H](O)C(F)(F)F ZINC001603673269 1018219906 /nfs/dbraw/zinc/21/99/06/1018219906.db2.gz NOLGFGQSELYDLA-QMMMGPOBSA-N -1 0 310.232 -0.206 20 0 DBADRM CCCN(CC(=O)[O-])[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001603666828 1018220556 /nfs/dbraw/zinc/22/05/56/1018220556.db2.gz UARRLENLQSHQQL-MNOVXSKESA-N -1 0 320.411 -0.183 20 0 DBADRM C[C@H](O)C(=O)Nc1ccccc1-n1cnc(-c2nnn[n-]2)n1 ZINC001603694138 1018222667 /nfs/dbraw/zinc/22/26/67/1018222667.db2.gz PBEWRGCWQKBAMM-ZETCQYMHSA-N -1 0 300.282 -0.233 20 0 DBADRM CC(C)(O)C1CN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1 ZINC001603689293 1018223689 /nfs/dbraw/zinc/22/36/89/1018223689.db2.gz ARCLRNMYTTVTDN-IQIPOGNMSA-N -1 0 324.377 -0.169 20 0 DBADRM C[C@H](O)C(C)(C)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001603693755 1018223896 /nfs/dbraw/zinc/22/38/96/1018223896.db2.gz HZEWAVLMDOKINQ-LURJTMIESA-N -1 0 309.330 -0.515 20 0 DBADRM CCCn1cc(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)nn1 ZINC001603698600 1018226452 /nfs/dbraw/zinc/22/64/52/1018226452.db2.gz IJQBWEKIDKVNMP-NSHDSACASA-N -1 0 323.353 -0.373 20 0 DBADRM C[C@H](O)C[C@H](C)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001603696453 1018226511 /nfs/dbraw/zinc/22/65/11/1018226511.db2.gz RXXYCPAURDJILM-YUMQZZPRSA-N -1 0 312.355 -0.301 20 0 DBADRM CC(C)[C@H](C(=O)NC[C@H](F)C(=O)[O-])N1CCCS1(=O)=O ZINC001603708475 1018230822 /nfs/dbraw/zinc/23/08/22/1018230822.db2.gz CKNUOLXFXGAUGF-DTWKUNHWSA-N -1 0 310.347 -0.415 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001603705738 1018231165 /nfs/dbraw/zinc/23/11/65/1018231165.db2.gz CPERURFDOBMGOG-JTQLQIEISA-N -1 0 309.322 -0.220 20 0 DBADRM CCN(C(=O)c1cc(N2CCNC(=O)C2)ccn1)[C@@H](C)C(=O)[O-] ZINC001603715445 1018231302 /nfs/dbraw/zinc/23/13/02/1018231302.db2.gz MDXANOVUSUVFSM-JTQLQIEISA-N -1 0 320.349 -0.047 20 0 DBADRM CCN(C)C(=O)Cn1nnnc1N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001603724781 1018232520 /nfs/dbraw/zinc/23/25/20/1018232520.db2.gz ZGBYUHGUHLRLTQ-NXEZZACHSA-N -1 0 310.358 -0.302 20 0 DBADRM CCN([C@H](C)C(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC001603725440 1018233099 /nfs/dbraw/zinc/23/30/99/1018233099.db2.gz OGPCTZAARQGGHB-MRVPVSSYSA-N -1 0 301.386 -0.454 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001603737651 1018233152 /nfs/dbraw/zinc/23/31/52/1018233152.db2.gz VZOREKUITSKOKS-UHFFFAOYSA-N -1 0 304.328 -0.282 20 0 DBADRM CCN1CC[C@H](NC(=O)N(CCOC)CCC(=O)[O-])C1=O ZINC001603760502 1018237472 /nfs/dbraw/zinc/23/74/72/1018237472.db2.gz VWQIRRDTMAORRC-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CCOC(=O)[C@H](CC)C(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001603780739 1018237973 /nfs/dbraw/zinc/23/79/73/1018237973.db2.gz SSEFSDQSSPAPJA-QMTHXVAHSA-N -1 0 317.338 -0.096 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCN(C)[C@@H](CO)C1)C(=O)[O-] ZINC001603774999 1018239012 /nfs/dbraw/zinc/23/90/12/1018239012.db2.gz COQXRMCBGUGSRF-NEPJUHHUSA-N -1 0 301.387 -0.790 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCC(=O)[O-] ZINC001603780443 1018239063 /nfs/dbraw/zinc/23/90/63/1018239063.db2.gz POXJZUZTYSWRKP-IUCAKERBSA-N -1 0 302.327 -0.186 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001603767934 1018239367 /nfs/dbraw/zinc/23/93/67/1018239367.db2.gz IGMGKLXVCOXLIV-CHWSQXEVSA-N -1 0 307.350 -0.086 20 0 DBADRM CC(C)C[C@H](NC(=O)CN[C@@H](CO)c1cnn(C)c1)C(=O)[O-] ZINC001603777223 1018239409 /nfs/dbraw/zinc/23/94/09/1018239409.db2.gz SIWUITXCXJNQRE-RYUDHWBXSA-N -1 0 312.370 -0.341 20 0 DBADRM CCOC(=O)[C@H](NC(=O)COCC(=O)[O-])C1CCOCC1 ZINC001603780012 1018239690 /nfs/dbraw/zinc/23/96/90/1018239690.db2.gz JISUCLDTLFLJPN-GFCCVEGCSA-N -1 0 303.311 -0.438 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN[C@H](CO)c1cnn(C)c1)C(=O)[O-] ZINC001603777224 1018239844 /nfs/dbraw/zinc/23/98/44/1018239844.db2.gz SIWUITXCXJNQRE-VXGBXAGGSA-N -1 0 312.370 -0.341 20 0 DBADRM CCOC(=O)[C@H]1CSCCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001603791846 1018240774 /nfs/dbraw/zinc/24/07/74/1018240774.db2.gz AGEDDYZXQGUWEZ-BDAKNGLRSA-N -1 0 316.335 -0.277 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)[C@@](C)(OC)C(=O)[O-])CC12COC2 ZINC001603792048 1018241359 /nfs/dbraw/zinc/24/13/59/1018241359.db2.gz GSKKNJAEVKPHHD-NOZJJQNGSA-N -1 0 315.322 -0.486 20 0 DBADRM CCOC(=O)[C@H](CO)NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001603780997 1018241773 /nfs/dbraw/zinc/24/17/73/1018241773.db2.gz VSFPFOCDLMKDKJ-GUBZILKMSA-N -1 0 303.311 -0.704 20 0 DBADRM CC(C)C[C@@H](NC(=O)Cn1cnc2c(nnn2C)c1=O)C(=O)[O-] ZINC001603781756 1018243387 /nfs/dbraw/zinc/24/33/87/1018243387.db2.gz DWVOVQCYHUESGT-MRVPVSSYSA-N -1 0 322.325 -0.860 20 0 DBADRM CCOC(=O)[C@H](NCC(=O)NCC(=O)[O-])c1cccc(O)c1 ZINC001603786593 1018243721 /nfs/dbraw/zinc/24/37/21/1018243721.db2.gz HFVLDIUVZKUREL-CYBMUJFWSA-N -1 0 310.306 -0.213 20 0 DBADRM CCOC(Cn1cc(C(=O)NCCC(=O)[O-])nn1)OCC ZINC001603824348 1018244845 /nfs/dbraw/zinc/24/48/45/1018244845.db2.gz LOQLETFLIBRPAD-UHFFFAOYSA-N -1 0 300.315 -0.118 20 0 DBADRM CCO[C@@H]1C[C@H](OC(=O)[C@H](C)C(=O)[O-])[C@H]1N1C(=O)CCC1=O ZINC001603828671 1018249104 /nfs/dbraw/zinc/24/91/04/1018249104.db2.gz KVYHDRUWBWIIEB-XBWDGYHZSA-N -1 0 313.306 -0.055 20 0 DBADRM CC(C)CS(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001603831683 1018250052 /nfs/dbraw/zinc/25/00/52/1018250052.db2.gz XCZNIDVIHFPVDT-CYBMUJFWSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2cccc(-c3nn[nH]n3)n2)C(=O)N1C ZINC001603831125 1018251403 /nfs/dbraw/zinc/25/14/03/1018251403.db2.gz VBBJAZZATCDZOC-ZCFIWIBFSA-N -1 0 316.281 -0.811 20 0 DBADRM C[C@H]1C[C@H](N2CCOCC2)CN1c1ccnc(-c2nnn[n-]2)n1 ZINC001603856656 1018252397 /nfs/dbraw/zinc/25/23/97/1018252397.db2.gz VENKMKXTAMXLNR-QWRGUYRKSA-N -1 0 316.369 -0.044 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001603858792 1018252826 /nfs/dbraw/zinc/25/28/26/1018252826.db2.gz HADSKPLONARXKE-VIFPVBQESA-N -1 0 305.356 -0.347 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(C(=O)Cn2cnc(-c3nnn[n-]3)cc2=O)C1 ZINC001603846381 1018253017 /nfs/dbraw/zinc/25/30/17/1018253017.db2.gz JLNXVEPTKAICPQ-NXEZZACHSA-N -1 0 317.353 -0.072 20 0 DBADRM CCON(C)C(=O)CNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001603842432 1018253461 /nfs/dbraw/zinc/25/34/61/1018253461.db2.gz AGDUCPAGYYTKQI-UWVGGRQHSA-N -1 0 302.327 -0.218 20 0 DBADRM CC(C)C[C@H](NC(=O)CNS(=O)(=O)NC(C)C)C(=O)[O-] ZINC001603841708 1018255239 /nfs/dbraw/zinc/25/52/39/1018255239.db2.gz JXTGKFPSTZVCCA-VIFPVBQESA-N -1 0 309.388 -0.566 20 0 DBADRM CCO[C@@]1(C)C[C@H]1NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603849953 1018255604 /nfs/dbraw/zinc/25/56/04/1018255604.db2.gz LRJMSZIWFIILRG-SKDRFNHKSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCO[C@H](C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001603858053 1018255811 /nfs/dbraw/zinc/25/58/11/1018255811.db2.gz ZSGQVFDINNBMNC-IWSPIJDZSA-N -1 0 306.330 -0.297 20 0 DBADRM C/C=C(/C)C(=O)NC[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001500160091 1018256154 /nfs/dbraw/zinc/25/61/54/1018256154.db2.gz TUAWVGLZSIVPTC-ZKUGPGMGSA-N -1 0 311.342 -0.476 20 0 DBADRM CC(C)N1C[C@@H](NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1=O ZINC001603886676 1018257036 /nfs/dbraw/zinc/25/70/36/1018257036.db2.gz DSZUFGIQBMVAKH-LPEHRKFASA-N -1 0 304.368 -0.222 20 0 DBADRM CC(C)N1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])nn2)C1 ZINC001603886493 1018257536 /nfs/dbraw/zinc/25/75/36/1018257536.db2.gz ABNFUWCKHPNCNB-VXGBXAGGSA-N -1 0 307.354 -0.120 20 0 DBADRM CCS(=O)(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001603893876 1018257775 /nfs/dbraw/zinc/25/77/75/1018257775.db2.gz BPYQQMXWPQOQAY-NBBOBHDQSA-N -1 0 305.352 -0.078 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1=O ZINC001603887646 1018257957 /nfs/dbraw/zinc/25/79/57/1018257957.db2.gz SJKYMLDIAKCMHC-PKIKSRDPSA-N -1 0 312.322 -0.483 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001603884978 1018258371 /nfs/dbraw/zinc/25/83/71/1018258371.db2.gz BVYZIMFZXCOZSE-APPZFPTMSA-N -1 0 306.340 -0.503 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)c1ccc(C(=O)[O-])n1C ZINC001603905326 1018259294 /nfs/dbraw/zinc/25/92/94/1018259294.db2.gz TXEGKLOMEQYPKA-UHFFFAOYSA-N -1 0 317.367 -0.219 20 0 DBADRM CC(C)NC(=O)CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001603900194 1018259411 /nfs/dbraw/zinc/25/94/11/1018259411.db2.gz ONLJEPLDSOKJKZ-UHFFFAOYSA-N -1 0 301.324 -0.417 20 0 DBADRM CC(C)OC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001603908758 1018259950 /nfs/dbraw/zinc/25/99/50/1018259950.db2.gz WTRXHVQLQWFKOU-UHFFFAOYSA-N -1 0 309.278 -0.214 20 0 DBADRM CC[C@@H](NC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001603901788 1018260024 /nfs/dbraw/zinc/26/00/24/1018260024.db2.gz VSEZZGWTGBISGN-MRVPVSSYSA-N -1 0 302.327 -0.052 20 0 DBADRM CC(C)NC(=O)CCNC(=O)COCc1ocnc1C(=O)[O-] ZINC001603897911 1018260327 /nfs/dbraw/zinc/26/03/27/1018260327.db2.gz BTBDGRNIVBCIPW-UHFFFAOYSA-N -1 0 313.310 -0.080 20 0 DBADRM CC(C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001603896896 1018260364 /nfs/dbraw/zinc/26/03/64/1018260364.db2.gz NABKQVKXHSKZEU-MRVPVSSYSA-N -1 0 322.321 -0.252 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1OCCN(C)C1=O ZINC001603916948 1018262656 /nfs/dbraw/zinc/26/26/56/1018262656.db2.gz QIVJKYPDFQAPNM-NXEZZACHSA-N -1 0 302.327 -0.820 20 0 DBADRM C[C@H]1CCSCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001603911293 1018263073 /nfs/dbraw/zinc/26/30/73/1018263073.db2.gz UVQANGHQZZADRF-QMMMGPOBSA-N -1 0 308.371 -0.188 20 0 DBADRM CCC(=O)N1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001603968015 1018269155 /nfs/dbraw/zinc/26/91/55/1018269155.db2.gz SBDPWUPVKGAVSL-DTWKUNHWSA-N -1 0 302.342 -0.110 20 0 DBADRM CC(C)S(=O)(=O)CCCN1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001603959872 1018269879 /nfs/dbraw/zinc/26/98/79/1018269879.db2.gz HCSIHBXJVLMCNM-SNVBAGLBSA-N -1 0 306.384 -0.573 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001603966480 1018270362 /nfs/dbraw/zinc/27/03/62/1018270362.db2.gz IQRQZDIVJFPITA-MWLCHTKSSA-N -1 0 304.368 -0.222 20 0 DBADRM C/C=C\C[C@@H](CO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001603963947 1018270978 /nfs/dbraw/zinc/27/09/78/1018270978.db2.gz QNIVZPZLNSUOEV-LGYSABEFSA-N -1 0 321.341 -0.997 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001603959972 1018271046 /nfs/dbraw/zinc/27/10/46/1018271046.db2.gz NSZHIZBYSZMBGO-SNVBAGLBSA-N -1 0 303.340 -0.515 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2CN(c3ncc(C(=O)[O-])cn3)C[C@H]21 ZINC001603967098 1018271903 /nfs/dbraw/zinc/27/19/03/1018271903.db2.gz KXZFCTHURQRDRR-NOOOWODRSA-N -1 0 320.349 -0.258 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCS(=O)(=O)CC1(C)C)C(=O)[O-] ZINC001603971436 1018273573 /nfs/dbraw/zinc/27/35/73/1018273573.db2.gz CXAPOTKMUQUWMS-NSHDSACASA-N -1 0 320.411 -0.279 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC001603979567 1018276534 /nfs/dbraw/zinc/27/65/34/1018276534.db2.gz OMRDRJDFHQLOKN-IUCAKERBSA-N -1 0 314.367 -0.052 20 0 DBADRM CCC(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CCC1 ZINC001603971280 1018276857 /nfs/dbraw/zinc/27/68/57/1018276857.db2.gz CRQXCWYRROUEML-UHFFFAOYSA-N -1 0 302.342 -0.061 20 0 DBADRM CCn1nnnc1N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001604024970 1018277669 /nfs/dbraw/zinc/27/76/69/1018277669.db2.gz ZXOSGRYQXXWLMU-SECBINFHSA-N -1 0 308.342 -0.405 20 0 DBADRM CCN1C(=S)N=NC1CNC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001604009046 1018277942 /nfs/dbraw/zinc/27/79/42/1018277942.db2.gz XBUOGTOADTYTQU-LLVKDONJSA-N -1 0 300.340 -0.163 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001603983369 1018278096 /nfs/dbraw/zinc/27/80/96/1018278096.db2.gz KLLFKLAMOGJTND-XXFSISAASA-N -1 0 318.395 -0.214 20 0 DBADRM CC(C)c1nccn1CC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001604020835 1018278631 /nfs/dbraw/zinc/27/86/31/1018278631.db2.gz ZIZWWOBCTNXPNQ-JTQLQIEISA-N -1 0 308.338 -0.240 20 0 DBADRM CCn1c(N)c(C(=O)CN2[C@@H](C)CC[C@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC001604008056 1018278976 /nfs/dbraw/zinc/27/89/76/1018278976.db2.gz KGEJGEMKVOESNY-YUMQZZPRSA-N -1 0 324.337 -0.329 20 0 DBADRM CCc1nnc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])s1 ZINC001603993300 1018279354 /nfs/dbraw/zinc/27/93/54/1018279354.db2.gz QSIFNDRCRJZWFI-ZCFIWIBFSA-N -1 0 319.364 -0.576 20 0 DBADRM CN(C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)c1nncs1 ZINC001604024161 1018279819 /nfs/dbraw/zinc/27/98/19/1018279819.db2.gz FNXFIDZBBHDRPX-UHFFFAOYSA-N -1 0 319.364 -0.220 20 0 DBADRM CCn1nccc1CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001604024687 1018280304 /nfs/dbraw/zinc/28/03/04/1018280304.db2.gz QJSUJNGQOYLKEX-UHFFFAOYSA-N -1 0 320.309 -0.561 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)c2cc(C(=O)[O-])nn2C)n1 ZINC001604041217 1018282263 /nfs/dbraw/zinc/28/22/63/1018282263.db2.gz UUVRZDZDZCRAAN-UHFFFAOYSA-N -1 0 320.309 -0.345 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001604040946 1018282650 /nfs/dbraw/zinc/28/26/50/1018282650.db2.gz KGJPBLITWOWXOF-UHFFFAOYSA-N -1 0 308.294 -0.687 20 0 DBADRM CC[C@@H](CCO)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604030311 1018285040 /nfs/dbraw/zinc/28/50/40/1018285040.db2.gz RRNDXOZOQLIKAS-BDAKNGLRSA-N -1 0 308.346 -0.456 20 0 DBADRM CC[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCCO1 ZINC001604047653 1018286099 /nfs/dbraw/zinc/28/60/99/1018286099.db2.gz OGIHVJUTEVOLEE-ZJUUUORDSA-N -1 0 320.357 -0.078 20 0 DBADRM CN(C)CCN(CC(=O)[O-])C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001604057997 1018286649 /nfs/dbraw/zinc/28/66/49/1018286649.db2.gz CWLWNWROWIGDSC-SNVBAGLBSA-N -1 0 304.368 -0.590 20 0 DBADRM C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001604050147 1018287577 /nfs/dbraw/zinc/28/75/77/1018287577.db2.gz NNMCHCNHRHLILH-PSASIEDQSA-N -1 0 324.337 -0.256 20 0 DBADRM CC(C)n1nnc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1 ZINC001604047862 1018288176 /nfs/dbraw/zinc/28/81/76/1018288176.db2.gz GMNLHBBLEGRHTN-QMMMGPOBSA-N -1 0 310.314 -0.484 20 0 DBADRM CC[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC001604048080 1018288620 /nfs/dbraw/zinc/28/86/20/1018288620.db2.gz UCESDPARHIOEOG-RNFRBKRXSA-N -1 0 308.302 -0.913 20 0 DBADRM C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001604050150 1018288714 /nfs/dbraw/zinc/28/87/14/1018288714.db2.gz NNMCHCNHRHLILH-WPRPVWTQSA-N -1 0 324.337 -0.256 20 0 DBADRM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001604067968 1018289724 /nfs/dbraw/zinc/28/97/24/1018289724.db2.gz JOJSYNYIAPTMBD-KOLCDFICSA-N -1 0 322.365 -0.078 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001604075315 1018289977 /nfs/dbraw/zinc/28/99/77/1018289977.db2.gz CHBODTKUKFOWNO-UHFFFAOYSA-N -1 0 316.339 -0.544 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)C[C@@H]1CC(=O)NC1=O)c1cccnc1 ZINC001604077722 1018290005 /nfs/dbraw/zinc/29/00/05/1018290005.db2.gz JLKFVKWYXDBSSM-BJOHPYRUSA-N -1 0 319.317 -0.060 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)Cn1cnc(N)n1)c1ccccn1 ZINC001604078264 1018290745 /nfs/dbraw/zinc/29/07/45/1018290745.db2.gz QQTQUYZHQGZNDQ-CYBMUJFWSA-N -1 0 304.310 -0.238 20 0 DBADRM C[C@H](CC(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001604067969 1018290893 /nfs/dbraw/zinc/29/08/93/1018290893.db2.gz JOJSYNYIAPTMBD-MWLCHTKSSA-N -1 0 322.365 -0.078 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC001604074754 1018292627 /nfs/dbraw/zinc/29/26/27/1018292627.db2.gz CGIAUBWHGGSMIN-SECBINFHSA-N -1 0 304.368 -0.363 20 0 DBADRM CN(C)c1ncccc1C(=O)NCCOCCOCC(=O)[O-] ZINC001604092514 1018295196 /nfs/dbraw/zinc/29/51/96/1018295196.db2.gz HFAOJWDNHPAVRX-UHFFFAOYSA-N -1 0 311.338 -0.005 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001604094807 1018295320 /nfs/dbraw/zinc/29/53/20/1018295320.db2.gz XERJGTIENSTWGX-GBIKHYSHSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)c1cnn(C[C@H](O)CO)c1)C1CC1 ZINC001604088683 1018296051 /nfs/dbraw/zinc/29/60/51/1018296051.db2.gz XIHOYOYDVQOPJL-SMDDNHRTSA-N -1 0 311.338 -0.391 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001604104832 1018296117 /nfs/dbraw/zinc/29/61/17/1018296117.db2.gz CXRYYVJZYHBDPS-MFKMUULPSA-N -1 0 319.379 -0.097 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC001604091338 1018296601 /nfs/dbraw/zinc/29/66/01/1018296601.db2.gz YMZZUXDYUIIWFD-LBPRGKRZSA-N -1 0 302.352 -0.134 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C2(S(C)(=O)=O)CC2)CC1 ZINC001604112842 1018298007 /nfs/dbraw/zinc/29/80/07/1018298007.db2.gz DPNSJRNSBDIFGF-JTQLQIEISA-N -1 0 318.395 -0.429 20 0 DBADRM CC[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@H](CC)O1 ZINC001604110429 1018298414 /nfs/dbraw/zinc/29/84/14/1018298414.db2.gz IUCNULMVKNRKSD-UWVGGRQHSA-N -1 0 320.357 -0.126 20 0 DBADRM C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001604113909 1018298904 /nfs/dbraw/zinc/29/89/04/1018298904.db2.gz NAABWDLAMWTWFV-SNVBAGLBSA-N -1 0 310.358 -0.470 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CC2C(=O)N=CNC2=O)CC1 ZINC001604114248 1018299382 /nfs/dbraw/zinc/29/93/82/1018299382.db2.gz UXAMUAPDQOTYJZ-VIFPVBQESA-N -1 0 324.337 -0.562 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1ccc(Cl)nc1F)C(=O)[O-] ZINC001604198860 1018320848 /nfs/dbraw/zinc/32/08/48/1018320848.db2.gz MJILJZJHDFIJRE-SECBINFHSA-N -1 0 312.706 -0.012 20 0 DBADRM C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001604113908 1018300618 /nfs/dbraw/zinc/30/06/18/1018300618.db2.gz NAABWDLAMWTWFV-JTQLQIEISA-N -1 0 310.358 -0.470 20 0 DBADRM CN(CC1(O)CCOCC1)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001604124836 1018300709 /nfs/dbraw/zinc/30/07/09/1018300709.db2.gz SWPLAHXKYRDILR-UHFFFAOYSA-N -1 0 324.333 -0.454 20 0 DBADRM C[C@H](CCNC(=O)C(C)(C)C(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001604141037 1018303461 /nfs/dbraw/zinc/30/34/61/1018303461.db2.gz MIGUFYDWNHVMPY-MRVPVSSYSA-N -1 0 323.353 -0.585 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NC/C=C/CNc1ncc(C(=O)[O-])cn1 ZINC001604125288 1018304164 /nfs/dbraw/zinc/30/41/64/1018304164.db2.gz NMDYUZVJJCAXND-GKQMSVHHSA-N -1 0 321.337 -0.229 20 0 DBADRM C[C@](CCF)(NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1)C(=O)[O-] ZINC001604139319 1018304262 /nfs/dbraw/zinc/30/42/62/1018304262.db2.gz IVMVDZSPVZLGNU-KBVBSXBZSA-N -1 0 300.290 -0.093 20 0 DBADRM C[C@H](CN(C)C(=O)C1=COCCO1)Nc1ccnc(C(=O)[O-])n1 ZINC001604154694 1018305972 /nfs/dbraw/zinc/30/59/72/1018305972.db2.gz XTXFPOMWYHKUEH-SECBINFHSA-N -1 0 322.321 -0.256 20 0 DBADRM C[C@H](CN(C)C(=O)c1cn[nH]c1)Nc1ccnc(C(=O)[O-])n1 ZINC001604155162 1018306005 /nfs/dbraw/zinc/30/60/05/1018306005.db2.gz GQECDRHXPUVIEP-MRVPVSSYSA-N -1 0 304.310 -0.108 20 0 DBADRM C[C@@H](CCNC(=O)c1cnnn1C)Nc1ccnc(C(=O)[O-])n1 ZINC001604141474 1018306081 /nfs/dbraw/zinc/30/60/81/1018306081.db2.gz IGRJDTNUDLNKQJ-QMMMGPOBSA-N -1 0 319.325 -0.654 20 0 DBADRM CCC[C@H](NCCn1cnc(-c2nnn[n-]2)n1)C(=O)OCC ZINC001604145100 1018306738 /nfs/dbraw/zinc/30/67/38/1018306738.db2.gz OEIVSPRNFVPHEN-VIFPVBQESA-N -1 0 308.346 -0.220 20 0 DBADRM C[C@@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001604158821 1018308281 /nfs/dbraw/zinc/30/82/81/1018308281.db2.gz CGVVYTKPEQZXSV-YIZRAAEISA-N -1 0 321.337 -0.763 20 0 DBADRM C[C@H](CS(=O)(=O)N(C)C)OC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001604205704 1018322073 /nfs/dbraw/zinc/32/20/73/1018322073.db2.gz VBFSSKDWSUMRIC-ZYUZMQFOSA-N -1 0 323.367 -0.312 20 0 DBADRM C[C@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)CCCC(N)=O ZINC001604159114 1018309436 /nfs/dbraw/zinc/30/94/36/1018309436.db2.gz MKWIZWGHSGGEQC-SECBINFHSA-N -1 0 323.353 -0.229 20 0 DBADRM C[C@@H](CNC(=O)[C@]1(F)CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001604173390 1018311591 /nfs/dbraw/zinc/31/15/91/1018311591.db2.gz SMLLHHRLISTEJZ-SDBXPKJASA-N -1 0 312.301 -0.358 20 0 DBADRM C[C@H](CNC(=O)[C@H]1COCCO1)CNc1ncc(C(=O)[O-])cn1 ZINC001604172757 1018311640 /nfs/dbraw/zinc/31/16/40/1018311640.db2.gz CXZYJKDTZXBUSP-MWLCHTKSSA-N -1 0 324.337 -0.246 20 0 DBADRM C[C@H](CNC(=O)C1CCOCC1)Nc1ccnc(C(=O)[O-])n1 ZINC001604172801 1018313061 /nfs/dbraw/zinc/31/30/61/1018313061.db2.gz GAMZWJYUCSAJQH-SECBINFHSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)Cn1cncn1 ZINC001604190525 1018313689 /nfs/dbraw/zinc/31/36/89/1018313689.db2.gz MIMUBDFLVMOMKL-VIFPVBQESA-N -1 0 319.325 -0.853 20 0 DBADRM C[C@@](CO)(NC(=O)CN1c2ccccc2OCCC1=O)C(=O)[O-] ZINC001604190978 1018314298 /nfs/dbraw/zinc/31/42/98/1018314298.db2.gz LWCRRPNIGLBSKA-HNNXBMFYSA-N -1 0 322.317 -0.246 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1cncn1C ZINC001604189481 1018314540 /nfs/dbraw/zinc/31/45/40/1018314540.db2.gz ANIAVMHYSSRZCT-SECBINFHSA-N -1 0 318.337 -0.097 20 0 DBADRM CC(CO)(CO)NC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001604189622 1018315588 /nfs/dbraw/zinc/31/55/88/1018315588.db2.gz CNBFBEVVJJLZEB-UHFFFAOYSA-N -1 0 302.308 -0.756 20 0 DBADRM CN(Cc1nnc2n1CCNC2=O)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001604195199 1018316544 /nfs/dbraw/zinc/31/65/44/1018316544.db2.gz NANJZBFDLLLZSD-HTQZYQBOSA-N -1 0 307.310 -0.909 20 0 DBADRM C[C@@](CO)(NC(=O)Cn1ccc(=O)c2ccccc21)C(=O)[O-] ZINC001604193122 1018316645 /nfs/dbraw/zinc/31/66/45/1018316645.db2.gz DWUMYRHQTFGFJD-HNNXBMFYSA-N -1 0 304.302 -0.047 20 0 DBADRM CN(Cc1nccs1)C(=O)C(=O)NCCOCC(=O)[O-] ZINC001604194867 1018316726 /nfs/dbraw/zinc/31/67/26/1018316726.db2.gz HOCMADRQNRHAAG-UHFFFAOYSA-N -1 0 301.324 -0.681 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)[O-])ccn2)C1=O ZINC001604196778 1018316828 /nfs/dbraw/zinc/31/68/28/1018316828.db2.gz WFORSPOOALOEEY-UHFFFAOYSA-N -1 0 306.234 -0.861 20 0 DBADRM C[C@@](CO)(NC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)[O-] ZINC001604193007 1018317078 /nfs/dbraw/zinc/31/70/78/1018317078.db2.gz BBNQJSJVTGLNPV-AWEZNQCLSA-N -1 0 321.289 -0.545 20 0 DBADRM CN(Cc1ccon1)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001604197382 1018317271 /nfs/dbraw/zinc/31/72/71/1018317271.db2.gz UMOLGKRGSHSRSJ-UHFFFAOYSA-N -1 0 307.266 -0.447 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)NC3CCC(C(=O)[O-])CC3)C[C@H]2C1=O ZINC001604196266 1018317733 /nfs/dbraw/zinc/31/77/33/1018317733.db2.gz LTKXHKKSTMIFFY-HWACXVBKSA-N -1 0 323.349 -0.114 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)C1=O ZINC001604196133 1018317923 /nfs/dbraw/zinc/31/79/23/1018317923.db2.gz JUKWNSCQUMWSLH-LBPRGKRZSA-N -1 0 323.280 -0.038 20 0 DBADRM C[C@](CO)(NC(=O)c1ccc(Cn2cncn2)cc1)C(=O)[O-] ZINC001604193484 1018318000 /nfs/dbraw/zinc/31/80/00/1018318000.db2.gz QMXYGUKVBZRIML-CQSZACIVSA-N -1 0 304.306 -0.108 20 0 DBADRM C[C@](CO)(NCc1cnc(N2CCOCC2)s1)C(=O)[O-] ZINC001604195725 1018318018 /nfs/dbraw/zinc/31/80/18/1018318018.db2.gz LTYWROUMYHSSQK-GFCCVEGCSA-N -1 0 301.368 -0.095 20 0 DBADRM CN(Cc1cnccn1)C(=O)NCCOCCOCC(=O)[O-] ZINC001604197562 1018319138 /nfs/dbraw/zinc/31/91/38/1018319138.db2.gz ZKWSEQGPQGBGPZ-UHFFFAOYSA-N -1 0 312.326 -0.264 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-] ZINC001604198095 1018319460 /nfs/dbraw/zinc/31/94/60/1018319460.db2.gz AVZOTWKFSPUSNN-NSHDSACASA-N -1 0 303.340 -0.593 20 0 DBADRM C[C@H](CO)C1CCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001604199235 1018320270 /nfs/dbraw/zinc/32/02/70/1018320270.db2.gz WZLQRFDPDTWPME-SCZZXKLOSA-N -1 0 304.318 -0.608 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@H]2CCNC(=O)[C@@H]21)C(=O)[O-] ZINC001604206396 1018322525 /nfs/dbraw/zinc/32/25/25/1018322525.db2.gz JJROWYINEUUBOW-KXUCPTDWSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)C(=O)[O-] ZINC001604206492 1018323026 /nfs/dbraw/zinc/32/30/26/1018323026.db2.gz LUHHFUJDUHVQIO-WDEREUQCSA-N -1 0 322.427 -0.186 20 0 DBADRM CN1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)[C@H](CO)C1 ZINC001604221483 1018324914 /nfs/dbraw/zinc/32/49/14/1018324914.db2.gz SFBSXEDRBLNICL-LBPRGKRZSA-N -1 0 308.334 -0.102 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001604215620 1018325043 /nfs/dbraw/zinc/32/50/43/1018325043.db2.gz VZVLDAFPGAUYHQ-SQFXPLBJSA-N -1 0 300.336 -0.570 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@H]1CCCCN(C)C1=O)C(=O)[O-] ZINC001604216270 1018325876 /nfs/dbraw/zinc/32/58/76/1018325876.db2.gz GREZLACIJNEBBM-KOLCDFICSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001604214375 1018326946 /nfs/dbraw/zinc/32/69/46/1018326946.db2.gz MCRMCUFLDBRIPA-ZLVALASMSA-N -1 0 304.368 -0.807 20 0 DBADRM CNC(=O)NC[C@@H]1CCCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001604241496 1018328490 /nfs/dbraw/zinc/32/84/90/1018328490.db2.gz WWOBRIGRIUSJSV-VIFPVBQESA-N -1 0 324.341 -0.714 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001604227800 1018329232 /nfs/dbraw/zinc/32/92/32/1018329232.db2.gz NXDONYIBUKWQIP-LLVKDONJSA-N -1 0 322.321 -0.835 20 0 DBADRM CNC(=O)[C@H](CCSC)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001604239954 1018329601 /nfs/dbraw/zinc/32/96/01/1018329601.db2.gz JDXQWQVKHPQGPR-XPUUQOCRSA-N -1 0 303.340 -0.800 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001604232562 1018329261 /nfs/dbraw/zinc/32/92/61/1018329261.db2.gz SRJPNXFDAVFDJT-RNCFNFMXSA-N -1 0 317.342 -0.977 20 0 DBADRM CNC(=O)OC[C@@H]1CCCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001604240098 1018330087 /nfs/dbraw/zinc/33/00/87/1018330087.db2.gz UDERGQRXJRXONK-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C1 ZINC001604228364 1018330589 /nfs/dbraw/zinc/33/05/89/1018330589.db2.gz UPOPKUGSNZORSR-MNOVXSKESA-N -1 0 306.384 -0.414 20 0 DBADRM CNC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001604232886 1018330730 /nfs/dbraw/zinc/33/07/30/1018330730.db2.gz ZUYNICHZADKOEW-SECBINFHSA-N -1 0 319.317 -0.082 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)C1 ZINC001604249010 1018331542 /nfs/dbraw/zinc/33/15/42/1018331542.db2.gz CVXUORRPNNASLQ-QPUJVOFHSA-N -1 0 304.368 -0.363 20 0 DBADRM CNS(=O)(=O)c1ccc(CNC(=O)[C@H](OC)C(=O)[O-])s1 ZINC001604248539 1018331712 /nfs/dbraw/zinc/33/17/12/1018331712.db2.gz DMGDBGMQIZOBDZ-QMMMGPOBSA-N -1 0 322.364 -0.628 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001604248572 1018331976 /nfs/dbraw/zinc/33/19/76/1018331976.db2.gz GVADSZHQGCOPPY-UHFFFAOYSA-N -1 0 303.296 -0.917 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001604250207 1018333947 /nfs/dbraw/zinc/33/39/47/1018333947.db2.gz UKLSDHPJTVXWCL-SECBINFHSA-N -1 0 305.294 -0.657 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)c1ccc(C(=O)[O-])nc1 ZINC001604249944 1018333974 /nfs/dbraw/zinc/33/39/74/1018333974.db2.gz VAPTYIVNHGEJEJ-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)NCCCC(=O)[O-])CC1 ZINC001604250063 1018334137 /nfs/dbraw/zinc/33/41/37/1018334137.db2.gz XPXCDLZAIQVVRA-UHFFFAOYSA-N -1 0 307.372 -0.856 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCOCC1)c1ncc(C(=O)[O-])s1 ZINC001604255223 1018334517 /nfs/dbraw/zinc/33/45/17/1018334517.db2.gz BNEMQBPOZLDWMT-ZETCQYMHSA-N -1 0 313.335 -0.123 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1Cc1cc(C(=O)[O-])nn1C ZINC001604249686 1018335093 /nfs/dbraw/zinc/33/50/93/1018335093.db2.gz POTSUFXAMWMGRQ-SECBINFHSA-N -1 0 316.383 -0.368 20 0 DBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H](OC)C(=O)[O-])c1 ZINC001604249303 1018335230 /nfs/dbraw/zinc/33/52/30/1018335230.db2.gz XSYSAERZWZPXKO-JTQLQIEISA-N -1 0 316.335 -0.059 20 0 DBADRM CNc1nnc(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)s1 ZINC001604253816 1018335354 /nfs/dbraw/zinc/33/53/54/1018335354.db2.gz VINHLJARIRCVDL-JMCQJSRRSA-N -1 0 312.351 -0.318 20 0 DBADRM C[C@H](NC(=O)[C@H](CO)NC(N)=O)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604264185 1018336169 /nfs/dbraw/zinc/33/61/69/1018336169.db2.gz BDZXZEYZJGEWCM-DLOVCJGASA-N -1 0 323.349 -0.536 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NCCC(=O)[O-] ZINC001604263458 1018336610 /nfs/dbraw/zinc/33/66/10/1018336610.db2.gz WEPPIXFJVTUFRB-QMMMGPOBSA-N -1 0 302.327 -0.329 20 0 DBADRM COC(=O)[C@H](C)CN(C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604262868 1018336677 /nfs/dbraw/zinc/33/66/77/1018336677.db2.gz NTURBUZOOWVPCX-ZJUUUORDSA-N -1 0 314.338 -0.423 20 0 DBADRM COC(=O)[C@H](CNC(=O)[C@@]1(C(=O)[O-])CCCO1)[C@H]1CCOC1 ZINC001604268148 1018336917 /nfs/dbraw/zinc/33/69/17/1018336917.db2.gz SFZAZFWHKCIWRX-IMSIIYSGSA-N -1 0 315.322 -0.438 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)c1ccn(C)n1 ZINC001604261217 1018337251 /nfs/dbraw/zinc/33/72/51/1018337251.db2.gz KBILHEQEVGEKLL-QXEWZRGKSA-N -1 0 324.337 -0.702 20 0 DBADRM COC(=O)[C@@H](CNC(=O)c1cn(CC(=O)[O-])nn1)CC1CC1 ZINC001604267696 1018337409 /nfs/dbraw/zinc/33/74/09/1018337409.db2.gz MTDVTIOQVVBWHK-SECBINFHSA-N -1 0 310.310 -0.318 20 0 DBADRM COC(=O)[C@]1(NC(=O)c2cc(C(=O)[O-])nn2C)CCSC1 ZINC001604275688 1018339400 /nfs/dbraw/zinc/33/94/00/1018339400.db2.gz IGCZWKRBGIHSOF-LBPRGKRZSA-N -1 0 313.335 -0.103 20 0 DBADRM CCN(CC(=O)OC)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604275106 1018341120 /nfs/dbraw/zinc/34/11/20/1018341120.db2.gz ZQOITXMNVLMVFN-UHFFFAOYSA-N -1 0 315.311 -0.357 20 0 DBADRM COC(=O)[C@]1(CNC(=O)[C@]2(C(=O)[O-])CCCO2)CCOC1 ZINC001604276340 1018341196 /nfs/dbraw/zinc/34/11/96/1018341196.db2.gz ZWKKYUGWTGVBBN-STQMWFEESA-N -1 0 301.295 -0.684 20 0 DBADRM COC(=O)[C@@]1(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)CCOC1 ZINC001604276337 1018341213 /nfs/dbraw/zinc/34/12/13/1018341213.db2.gz ZWKKYUGWTGVBBN-CHWSQXEVSA-N -1 0 301.295 -0.684 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC)CCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001604280345 1018341927 /nfs/dbraw/zinc/34/19/27/1018341927.db2.gz NZLORKAOISGCCN-AXFHLTTASA-N -1 0 314.338 -0.676 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)COCC(=O)[O-])[C@H](C(=O)OC)C1 ZINC001604289291 1018342466 /nfs/dbraw/zinc/34/24/66/1018342466.db2.gz CWYTXDCHBXSQIX-BDAKNGLRSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H](C)C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001604290758 1018343822 /nfs/dbraw/zinc/34/38/22/1018343822.db2.gz QGMNTPMPYPBLQX-DJLDLDEBSA-N -1 0 301.295 -0.340 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N(OC)[C@H](C)C(=O)[O-])C1=O ZINC001604291116 1018344230 /nfs/dbraw/zinc/34/42/30/1018344230.db2.gz VEVDCJIBNFEDPR-BDAKNGLRSA-N -1 0 316.310 -0.739 20 0 DBADRM C[C@@H](NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)c1nnnn1C ZINC001604286783 1018344247 /nfs/dbraw/zinc/34/42/47/1018344247.db2.gz OOALRHJDEZLYRV-VYUIOLGVSA-N -1 0 324.341 -0.596 20 0 DBADRM COC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC001604293615 1018345494 /nfs/dbraw/zinc/34/54/94/1018345494.db2.gz VNTIXFQEQZHTBG-LLVKDONJSA-N -1 0 321.333 -0.043 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001604303501 1018345578 /nfs/dbraw/zinc/34/55/78/1018345578.db2.gz OLYCDPGXOIKHBF-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM CCN(CCCO)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001604301624 1018345659 /nfs/dbraw/zinc/34/56/59/1018345659.db2.gz HMXHACSEPOEFGY-UHFFFAOYSA-N -1 0 312.355 -0.345 20 0 DBADRM COC(=O)[C@H]1CN(C)CCN(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC001604293618 1018346098 /nfs/dbraw/zinc/34/60/98/1018346098.db2.gz VNTIXFQEQZHTBG-NSHDSACASA-N -1 0 321.333 -0.043 20 0 DBADRM COC(=O)C[C@@H]1CCCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001604298728 1018346283 /nfs/dbraw/zinc/34/62/83/1018346283.db2.gz JUUVJFBUWLAREL-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001604303541 1018346460 /nfs/dbraw/zinc/34/64/60/1018346460.db2.gz QFAMQTCNUOHQHF-CQSZACIVSA-N -1 0 314.338 -0.279 20 0 DBADRM COC(=O)[C@H]1CSCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001604292806 1018346674 /nfs/dbraw/zinc/34/66/74/1018346674.db2.gz MMJXFTBKEGQRAA-VXNVDRBHSA-N -1 0 316.335 -0.420 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1noc2c1COCC2 ZINC001604311726 1018348261 /nfs/dbraw/zinc/34/82/61/1018348261.db2.gz WKFLPNNNJRQZKJ-UHFFFAOYSA-N -1 0 312.278 -0.163 20 0 DBADRM C[C@@H](NC(=O)c1cn(C)cn1)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604316957 1018348555 /nfs/dbraw/zinc/34/85/55/1018348555.db2.gz VFJFOBYHBKTAHO-RKDXNWHRSA-N -1 0 318.337 -0.051 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001604303651 1018348690 /nfs/dbraw/zinc/34/86/90/1018348690.db2.gz VIGIUACVMIPTTD-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(N)cc1 ZINC001604317170 1018349780 /nfs/dbraw/zinc/34/97/80/1018349780.db2.gz CMDZJTWZOMJRPR-UHFFFAOYSA-N -1 0 316.335 -0.093 20 0 DBADRM COC(=O)CC[C@H](NC(=O)C(=O)Nc1cc(C)on1)C(=O)[O-] ZINC001604317575 1018350777 /nfs/dbraw/zinc/35/07/77/1018350777.db2.gz BGBUMPOWHZDRJL-ZETCQYMHSA-N -1 0 313.266 -0.556 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)CCn1ccnc1)C(=O)[O-] ZINC001604322509 1018351396 /nfs/dbraw/zinc/35/13/96/1018351396.db2.gz SZNFCYCYDPMHGP-VIFPVBQESA-N -1 0 319.339 -0.791 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)Nc1ccccc1C(=O)[O-] ZINC001604325896 1018351553 /nfs/dbraw/zinc/35/15/53/1018351553.db2.gz GVUDTQTVAUZVLC-UHFFFAOYSA-N -1 0 309.278 -0.205 20 0 DBADRM COC(=O)CN(CN1C[C@@H](C(=O)[O-])CC1=O)CC(F)(F)F ZINC001604326795 1018353379 /nfs/dbraw/zinc/35/33/79/1018353379.db2.gz ZTNOICDDUKWFRO-ZETCQYMHSA-N -1 0 312.244 -0.086 20 0 DBADRM COC(=O)NCCC(=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001604344859 1018354043 /nfs/dbraw/zinc/35/40/43/1018354043.db2.gz GJZGDVGBFHGJCG-UHFFFAOYSA-N -1 0 312.282 -0.204 20 0 DBADRM CCNC(=O)C1CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001604347230 1018354133 /nfs/dbraw/zinc/35/41/33/1018354133.db2.gz FVJJDSBRIYGJSM-UHFFFAOYSA-N -1 0 316.321 -0.220 20 0 DBADRM COC(=O)Cn1nc(C)c(CNC(=O)[C@H](OC)C(=O)[O-])c1C ZINC001604341729 1018355881 /nfs/dbraw/zinc/35/58/81/1018355881.db2.gz PZUYEECQOIWUMV-NSHDSACASA-N -1 0 313.310 -0.611 20 0 DBADRM C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ncnn1C ZINC001604350309 1018355943 /nfs/dbraw/zinc/35/59/43/1018355943.db2.gz FGDCEHDHXRCYPE-MRVPVSSYSA-N -1 0 317.371 -0.493 20 0 DBADRM CCN1CCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001604344038 1018356403 /nfs/dbraw/zinc/35/64/03/1018356403.db2.gz HFQHSJOXWPWGIE-NXEZZACHSA-N -1 0 319.373 -0.428 20 0 DBADRM C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1nnnn1C ZINC001604354203 1018358829 /nfs/dbraw/zinc/35/88/29/1018358829.db2.gz OKXXAMMJGQNOKW-YFKPBYRVSA-N -1 0 300.300 -0.724 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)NCCF ZINC001604354281 1018359318 /nfs/dbraw/zinc/35/93/18/1018359318.db2.gz QZGJUULSEAZKPT-SSDOTTSWSA-N -1 0 321.330 -0.524 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001604354426 1018359350 /nfs/dbraw/zinc/35/93/50/1018359350.db2.gz HJFRLNZVAVJISF-SCZZXKLOSA-N -1 0 308.290 -0.386 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC001604354567 1018360194 /nfs/dbraw/zinc/36/01/94/1018360194.db2.gz KYKKKFKFRVFAOV-QEYWKRMJSA-N -1 0 300.311 -0.179 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC001604354354 1018360579 /nfs/dbraw/zinc/36/05/79/1018360579.db2.gz AKNKPXCMUNVYCX-KXUCPTDWSA-N -1 0 321.351 -0.557 20 0 DBADRM CCOC(=O)[C@@H]1CCN(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001604369981 1018362275 /nfs/dbraw/zinc/36/22/75/1018362275.db2.gz HWLIEAYBPPLBIB-SNVBAGLBSA-N -1 0 318.337 -0.129 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C(=O)[O-])c1cccnc1 ZINC001604359652 1018363019 /nfs/dbraw/zinc/36/30/19/1018363019.db2.gz VYBJCPSTEFQUNK-IONNQARKSA-N -1 0 301.324 -0.739 20 0 DBADRM C[C@](O)(CNC(=O)Cn1ccc(=O)c2ccccc21)C(=O)[O-] ZINC001604372386 1018363829 /nfs/dbraw/zinc/36/38/29/1018363829.db2.gz MRRFVKRIDQTLHW-HNNXBMFYSA-N -1 0 304.302 -0.047 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001604377231 1018364820 /nfs/dbraw/zinc/36/48/20/1018364820.db2.gz CGXPTTIYUOVCPY-CQSZACIVSA-N -1 0 324.333 -0.963 20 0 DBADRM C[C@@](O)(CO)CNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001604376720 1018364851 /nfs/dbraw/zinc/36/48/51/1018364851.db2.gz PIJDAHMTDVXAOA-ZDUSSCGKSA-N -1 0 314.269 -0.678 20 0 DBADRM CCOC(=O)CCCn1c(=O)c(-c2nnn[n-]2)cn(CC)c1=O ZINC001604373821 1018364884 /nfs/dbraw/zinc/36/48/84/1018364884.db2.gz INERRUROVVHYMD-UHFFFAOYSA-N -1 0 322.325 -0.447 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001604377370 1018365378 /nfs/dbraw/zinc/36/53/78/1018365378.db2.gz DFAXFJHRJOBGNX-QKFMDRJYSA-N -1 0 308.334 -0.031 20 0 DBADRM C[C@](O)(CNC(=O)c1ccc(C(N)=O)c(Cl)n1)C(=O)[O-] ZINC001604373639 1018365567 /nfs/dbraw/zinc/36/55/67/1018365567.db2.gz XVKDBBGDHXMSKY-NSHDSACASA-N -1 0 301.686 -0.601 20 0 DBADRM C[C@@H](O)[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CCO1 ZINC001604379456 1018365637 /nfs/dbraw/zinc/36/56/37/1018365637.db2.gz FAPYARXIZOVTAQ-APPZFPTMSA-N -1 0 305.308 -0.252 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)c2csc(C(=O)[O-])n2)CC1 ZINC001604377152 1018365705 /nfs/dbraw/zinc/36/57/05/1018365705.db2.gz BNUADUGOPLZUFE-SSDOTTSWSA-N -1 0 313.335 -0.494 20 0 DBADRM C[C@H](O)C(C)(C)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001604377216 1018365879 /nfs/dbraw/zinc/36/58/79/1018365879.db2.gz CCQMFJMZTVISEX-VHSXEESVSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001604377092 1018366127 /nfs/dbraw/zinc/36/61/27/1018366127.db2.gz ACIDEUORERGECI-HKWIRBFKSA-N -1 0 312.366 -0.121 20 0 DBADRM C[C@](O)(CNC(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC001604373625 1018366291 /nfs/dbraw/zinc/36/62/91/1018366291.db2.gz WEXGAKGMVSOQDL-LBPRGKRZSA-N -1 0 319.310 -0.205 20 0 DBADRM COC(=O)c1ccc(C(=O)Nc2ncn(CC(=O)[O-])n2)n1C ZINC001604385269 1018367403 /nfs/dbraw/zinc/36/74/03/1018367403.db2.gz HDMRKLUWTZVSIR-UHFFFAOYSA-N -1 0 307.266 -0.260 20 0 DBADRM COC(=O)c1ccc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)nc1 ZINC001604385046 1018367783 /nfs/dbraw/zinc/36/77/83/1018367783.db2.gz AVSOBGIVRHZMQM-SNVBAGLBSA-N -1 0 307.262 -0.286 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001604386781 1018367881 /nfs/dbraw/zinc/36/78/81/1018367881.db2.gz MUBPQLWCHMKURJ-QMMMGPOBSA-N -1 0 304.324 -0.856 20 0 DBADRM C[C@@H](O)CN(C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1)C1CC1 ZINC001604384304 1018367985 /nfs/dbraw/zinc/36/79/85/1018367985.db2.gz QFZOFMMPTWPWIC-MWLCHTKSSA-N -1 0 314.338 -0.940 20 0 DBADRM COC(=O)c1ccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])[nH]1 ZINC001604385126 1018368201 /nfs/dbraw/zinc/36/82/01/1018368201.db2.gz DUSLEJNFFWUDOF-JTQLQIEISA-N -1 0 316.335 -0.515 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)CCCn2ccc(C(=O)[O-])n2)CCO1 ZINC001604380110 1018368219 /nfs/dbraw/zinc/36/82/19/1018368219.db2.gz JPBGUIFUIRDNSD-ZYHUDNBSSA-N -1 0 311.338 -0.030 20 0 DBADRM C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001604384790 1018368717 /nfs/dbraw/zinc/36/87/17/1018368717.db2.gz XWQYUJFYMPAKJS-DTWKUNHWSA-N -1 0 318.351 -0.127 20 0 DBADRM COC(=O)c1ccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])[nH]1 ZINC001604385127 1018369193 /nfs/dbraw/zinc/36/91/93/1018369193.db2.gz DUSLEJNFFWUDOF-SNVBAGLBSA-N -1 0 316.335 -0.515 20 0 DBADRM C[C@H](O)c1cn(CC(=O)NCc2ccnc(C(=O)[O-])c2)nn1 ZINC001604388559 1018369992 /nfs/dbraw/zinc/36/99/92/1018369992.db2.gz FEFUYVAHLWIADY-QMMMGPOBSA-N -1 0 305.294 -0.259 20 0 DBADRM CCOC(C)(C)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604399214 1018370004 /nfs/dbraw/zinc/37/00/04/1018370004.db2.gz VGCWLUNFRWMXRW-QMMMGPOBSA-N -1 0 308.346 -0.050 20 0 DBADRM CCO[C@@H](C)c1noc(Cn2cnc(-c3nnn[n-]3)cc2=O)n1 ZINC001604401402 1018370143 /nfs/dbraw/zinc/37/01/43/1018370143.db2.gz UWGVWQCNSFSCDU-ZETCQYMHSA-N -1 0 318.297 -0.048 20 0 DBADRM C[C@@H](OC(=O)CCCS(C)(=O)=O)c1cn(CC(=O)[O-])nn1 ZINC001604397137 1018370212 /nfs/dbraw/zinc/37/02/12/1018370212.db2.gz GIPLQSFBNXCBON-MRVPVSSYSA-N -1 0 319.339 -0.208 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)c1cn(CC(=O)[O-])nn1 ZINC001604396609 1018370738 /nfs/dbraw/zinc/37/07/38/1018370738.db2.gz HSHNVIANEAPGFO-JGVFFNPUSA-N -1 0 317.323 -0.598 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001604387658 1018371094 /nfs/dbraw/zinc/37/10/94/1018371094.db2.gz ZPWUGQCHPFRYQV-QMMMGPOBSA-N -1 0 321.326 -0.112 20 0 DBADRM C[C@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)NCC(=O)[O-] ZINC001604395896 1018371480 /nfs/dbraw/zinc/37/14/80/1018371480.db2.gz ALRNMRBVHLGVAO-JGVFFNPUSA-N -1 0 305.308 -0.933 20 0 DBADRM C[C@H](O)c1cn(CC(=O)NCc2ccc(C(=O)[O-])cn2)nn1 ZINC001604388770 1018371521 /nfs/dbraw/zinc/37/15/21/1018371521.db2.gz IPOPRQZOMQKYGX-QMMMGPOBSA-N -1 0 305.294 -0.259 20 0 DBADRM C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)NCC(=O)[O-] ZINC001604409872 1018373607 /nfs/dbraw/zinc/37/36/07/1018373607.db2.gz UYNXDGFJUVDAMT-QMMMGPOBSA-N -1 0 319.277 -0.592 20 0 DBADRM C[C@@H](OC(=O)Cc1cn(C)nc1Cl)C(=O)NCC(=O)[O-] ZINC001604404955 1018374155 /nfs/dbraw/zinc/37/41/55/1018374155.db2.gz PROQXIKUNXKBTJ-ZCFIWIBFSA-N -1 0 303.702 -0.252 20 0 DBADRM COC(=O)c1[nH]cnc1NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604410788 1018374186 /nfs/dbraw/zinc/37/41/86/1018374186.db2.gz FNYXNWBNHBTMRL-ZETCQYMHSA-N -1 0 324.293 -0.542 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)c2cccnc2)CC1 ZINC001604421979 1018376614 /nfs/dbraw/zinc/37/66/14/1018376614.db2.gz OMWBDAVMTLOQAW-LLVKDONJSA-N -1 0 307.306 -0.534 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCc2[nH]cnc2[C@H]1c1ccnn1C ZINC001604420958 1018376657 /nfs/dbraw/zinc/37/66/57/1018376657.db2.gz FTBDNGGCKFFFIG-VXGBXAGGSA-N -1 0 319.321 -0.283 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001604421810 1018376957 /nfs/dbraw/zinc/37/69/57/1018376957.db2.gz AFKIAUMZWRUWQY-OZAVNUTGSA-N -1 0 301.339 -0.088 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC1CCN(c2nc(C)cc(=O)[nH]2)CC1 ZINC001604423079 1018377371 /nfs/dbraw/zinc/37/73/71/1018377371.db2.gz DGSPYPYDWDIIPL-NSHDSACASA-N -1 0 324.337 -0.325 20 0 DBADRM C[C@H](OCC(=O)NCCn1cc(C(=O)[O-])nn1)c1nccn1C ZINC001604418675 1018377617 /nfs/dbraw/zinc/37/76/17/1018377617.db2.gz HYTGBVXQCHVHDC-VIFPVBQESA-N -1 0 322.325 -0.396 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCc2[nH]cnc2[C@H]1c1ccnn1C ZINC001604420947 1018378190 /nfs/dbraw/zinc/37/81/90/1018378190.db2.gz FTBDNGGCKFFFIG-NEPJUHHUSA-N -1 0 319.321 -0.283 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC001604421631 1018378273 /nfs/dbraw/zinc/37/82/73/1018378273.db2.gz LLMMFUPMUJNYTL-NEPJUHHUSA-N -1 0 316.354 -0.964 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC001604420722 1018378826 /nfs/dbraw/zinc/37/88/26/1018378826.db2.gz BVSCIHOMFSQFGH-XHDPSFHLSA-N -1 0 306.318 -0.258 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCC(=O)N(C)OCC(F)(F)F ZINC001604424870 1018379577 /nfs/dbraw/zinc/37/95/77/1018379577.db2.gz WTTDSVKBDSTDPT-ZCFIWIBFSA-N -1 0 302.205 -0.846 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC[C@@H](O)COc1ccc(F)cc1 ZINC001604424080 1018380302 /nfs/dbraw/zinc/38/03/02/1018380302.db2.gz LOONBFLYJGDVSJ-MWLCHTKSSA-N -1 0 301.270 -0.219 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@H]1CCCN(Cc2ncon2)C1 ZINC001604431881 1018381425 /nfs/dbraw/zinc/38/14/25/1018381425.db2.gz ISFYLIHCSNZKEC-KOLCDFICSA-N -1 0 312.326 -0.503 20 0 DBADRM C[C@H](Oc1ccc(C=O)cc1)C(=O)NCC(=O)NCC(=O)[O-] ZINC001604428540 1018381969 /nfs/dbraw/zinc/38/19/69/1018381969.db2.gz NGIIUBUYYCKGAL-VIFPVBQESA-N -1 0 308.290 -0.417 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC[C@H](CS(C)(=O)=O)C1 ZINC001604450058 1018383220 /nfs/dbraw/zinc/38/32/20/1018383220.db2.gz ARZGXUZMEHWQPF-CABZTGNLSA-N -1 0 307.368 -0.241 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)O[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC001604446170 1018383792 /nfs/dbraw/zinc/38/37/92/1018383792.db2.gz PACYLGIJWOVDDY-ZJUUUORDSA-N -1 0 311.294 -0.442 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001604455041 1018383894 /nfs/dbraw/zinc/38/38/94/1018383894.db2.gz LUIOHKKEBGWBRM-SOUVJXGZSA-N -1 0 315.366 -0.150 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)OCC(=O)Nc1nnc(C2CC2)o1 ZINC001604461658 1018383916 /nfs/dbraw/zinc/38/39/16/1018383916.db2.gz LWUVZGPYNNHMCF-GFCCVEGCSA-N -1 0 313.266 -0.082 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC001604438680 1018384011 /nfs/dbraw/zinc/38/40/11/1018384011.db2.gz XGNCZKJJCNRFKB-UHFFFAOYSA-N -1 0 304.310 -0.407 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CC(CNC(=O)C(F)(F)F)C1 ZINC001604451352 1018384236 /nfs/dbraw/zinc/38/42/36/1018384236.db2.gz UEFBDIRDVLRSQM-SNVBAGLBSA-N -1 0 312.244 -0.387 20 0 DBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)NCCOCC(=O)[O-] ZINC001604458475 1018384536 /nfs/dbraw/zinc/38/45/36/1018384536.db2.gz DPTKJFJLMLMLDP-SSDOTTSWSA-N -1 0 315.355 -0.294 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1[nH]nc2cc(C)n(C)c(=O)c21 ZINC001604462179 1018385084 /nfs/dbraw/zinc/38/50/84/1018385084.db2.gz OJXWDWAJCMRZDH-ZDUSSCGKSA-N -1 0 308.294 -0.002 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001604460090 1018385163 /nfs/dbraw/zinc/38/51/63/1018385163.db2.gz XWNCWDLWGNDSJZ-XHNCKOQMSA-N -1 0 314.367 -0.410 20 0 DBADRM CO[C@H]([C@H](C)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C1CC1 ZINC001604471689 1018386650 /nfs/dbraw/zinc/38/66/50/1018386650.db2.gz XFHJEAWHLUPUNE-QPUJVOFHSA-N -1 0 324.337 -0.164 20 0 DBADRM COC1(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])CS(=O)(=O)C1 ZINC001604480195 1018386982 /nfs/dbraw/zinc/38/69/82/1018386982.db2.gz HEBZFNGGDUXOJM-DTWKUNHWSA-N -1 0 305.352 -0.488 20 0 DBADRM C[C@@H](c1cnn(C)c1)c1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1C ZINC001604475811 1018387093 /nfs/dbraw/zinc/38/70/93/1018387093.db2.gz WOOCSOOVOCPETL-GXSJLCMTSA-N -1 0 320.353 -0.010 20 0 DBADRM COC(CN(CCCO)C(=O)[C@@H]1CC(C(=O)[O-])=NO1)OC ZINC001604471297 1018387447 /nfs/dbraw/zinc/38/74/47/1018387447.db2.gz QNYDBOQXDPKVJK-VIFPVBQESA-N -1 0 304.299 -0.954 20 0 DBADRM C[C@H](c1cnn(C)c1)c1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1C ZINC001604475813 1018387540 /nfs/dbraw/zinc/38/75/40/1018387540.db2.gz WOOCSOOVOCPETL-MWLCHTKSSA-N -1 0 320.353 -0.010 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCc1nc(-c2ccccn2)n[nH]1 ZINC001604463932 1018387730 /nfs/dbraw/zinc/38/77/30/1018387730.db2.gz TYIGLRUCUGSPRC-CYBMUJFWSA-N -1 0 305.294 -0.027 20 0 DBADRM COC(OC)[C@@H](C)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604480893 1018387741 /nfs/dbraw/zinc/38/77/41/1018387741.db2.gz OOQJHVKURKCQJT-RKDXNWHRSA-N -1 0 302.327 -0.567 20 0 DBADRM C[C@H](c1cnn(C)c1)n1nnnc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001604475465 1018387875 /nfs/dbraw/zinc/38/78/75/1018387875.db2.gz KXSSGSQKQDRZIG-SNXWAXQRSA-N -1 0 303.326 -0.217 20 0 DBADRM C[C@@]1(C(=O)Nc2ccn(CC(=O)[O-])n2)CCCS1(=O)=O ZINC001604490204 1018389275 /nfs/dbraw/zinc/38/92/75/1018389275.db2.gz PQEOUWWOCRPPBC-NSHDSACASA-N -1 0 301.324 -0.127 20 0 DBADRM CC1(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CCOCC1 ZINC001604486142 1018389293 /nfs/dbraw/zinc/38/92/93/1018389293.db2.gz DAJPGEYIZJUWFN-GHMZBOCLSA-N -1 0 310.350 -0.149 20 0 DBADRM CC1(C(=O)NC[C@H](O)CNc2ccnc(C(=O)[O-])n2)CCC1 ZINC001604486983 1018389380 /nfs/dbraw/zinc/38/93/80/1018389380.db2.gz PENWBMPFRBLCKA-SECBINFHSA-N -1 0 308.338 -0.324 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CCOC1 ZINC001604487492 1018389868 /nfs/dbraw/zinc/38/98/68/1018389868.db2.gz OEAOYJRSHKKLFV-UONOGXRCSA-N -1 0 314.338 -0.769 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CCOC1 ZINC001604487489 1018390244 /nfs/dbraw/zinc/39/02/44/1018390244.db2.gz OEAOYJRSHKKLFV-KGLIPLIRSA-N -1 0 314.338 -0.769 20 0 DBADRM C[C@@]1(C(=O)NC[C@@H](CO)Nc2ncc(C(=O)[O-])cn2)CCOC1 ZINC001604487579 1018390356 /nfs/dbraw/zinc/39/03/56/1018390356.db2.gz ZNPBDVNFELJEAV-IINYFYTJSA-N -1 0 324.337 -0.510 20 0 DBADRM COC1(CS(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001604491987 1018392016 /nfs/dbraw/zinc/39/20/16/1018392016.db2.gz UEMFEBBDGJHMSY-SNVBAGLBSA-N -1 0 323.367 -0.703 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@]23CCOC3=O)C1 ZINC001604497527 1018392345 /nfs/dbraw/zinc/39/23/45/1018392345.db2.gz IWBAMZHWVKOKDL-GJZGRUSLSA-N -1 0 324.333 -0.382 20 0 DBADRM CO[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001604500945 1018392452 /nfs/dbraw/zinc/39/24/52/1018392452.db2.gz LEAKXVYSGILVOP-UWVGGRQHSA-N -1 0 324.337 -0.163 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@]23CCOC3=O)C1 ZINC001604497531 1018392657 /nfs/dbraw/zinc/39/26/57/1018392657.db2.gz IWBAMZHWVKOKDL-LSDHHAIUSA-N -1 0 324.333 -0.382 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)N[C@]3(C(=O)[O-])CCOC3)nc2C1 ZINC001604500760 1018393310 /nfs/dbraw/zinc/39/33/10/1018393310.db2.gz FVQNRLPWWBAPRK-YMTOWFKASA-N -1 0 309.322 -0.182 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001604515460 1018394220 /nfs/dbraw/zinc/39/42/20/1018394220.db2.gz UWOFUJXBLDZNKW-OUAUKWLOSA-N -1 0 315.370 -0.110 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)[C@@H]1CCCOC1 ZINC001604516144 1018394378 /nfs/dbraw/zinc/39/43/78/1018394378.db2.gz BZBCTGAVJNLPRB-DVVUODLYSA-N -1 0 300.311 -0.226 20 0 DBADRM CO[C@H]1COCC[C@@H]1CC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001604505249 1018394401 /nfs/dbraw/zinc/39/44/01/1018394401.db2.gz SOKLOUMUZUYOFZ-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@@](C)(O)CCNC(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001604507635 1018394656 /nfs/dbraw/zinc/39/46/56/1018394656.db2.gz KLEHNUAGWIKZHP-UONOGXRCSA-N -1 0 318.370 -0.093 20 0 DBADRM CO[C@H]1COCC[C@H]1N(C)C(=O)C(=O)NCCCC(=O)[O-] ZINC001604505208 1018394721 /nfs/dbraw/zinc/39/47/21/1018394721.db2.gz QULYAGUSNPBASL-ZJUUUORDSA-N -1 0 302.327 -0.770 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@H]2CCCO[C@H]21 ZINC001604508384 1018394926 /nfs/dbraw/zinc/39/49/26/1018394926.db2.gz FPMJSZLCNZRGAG-UTINFBMNSA-N -1 0 316.329 -0.155 20 0 DBADRM COCC(=O)NC1CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC001604504640 1018395003 /nfs/dbraw/zinc/39/50/03/1018395003.db2.gz DILKIKSBOMTIJG-SECBINFHSA-N -1 0 301.343 -0.356 20 0 DBADRM CC1(C)[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])C[C@@H]21 ZINC001604511958 1018395347 /nfs/dbraw/zinc/39/53/47/1018395347.db2.gz UTSAWHATIZHYAW-CHWFTXMASA-N -1 0 310.350 -0.293 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)[C@H]1CCCOC1 ZINC001604516146 1018395442 /nfs/dbraw/zinc/39/54/42/1018395442.db2.gz BZBCTGAVJNLPRB-LSJOCFKGSA-N -1 0 300.311 -0.226 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C2(N3CCOCC3)CC2)C1 ZINC001604522854 1018396427 /nfs/dbraw/zinc/39/64/27/1018396427.db2.gz GXQIGQISFZGBSJ-CQSZACIVSA-N -1 0 312.366 -0.199 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)CO1 ZINC001604518500 1018397032 /nfs/dbraw/zinc/39/70/32/1018397032.db2.gz IOKJIEMKXHIZSP-SKDRFNHKSA-N -1 0 307.368 -0.035 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001604522671 1018397446 /nfs/dbraw/zinc/39/74/46/1018397446.db2.gz CXUKDFKYJFFKSP-CABZTGNLSA-N -1 0 307.368 -0.383 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NC[C@]2(C)CCC(=O)N2)C1 ZINC001604533974 1018397779 /nfs/dbraw/zinc/39/77/79/1018397779.db2.gz SVHYTVUZDOPLHW-KBPBESRZSA-N -1 0 313.354 -0.212 20 0 DBADRM COC[C@@H](O)c1nnc(N2CC[C@@](COC)(C(=O)[O-])C2)n1C ZINC001604524021 1018397815 /nfs/dbraw/zinc/39/78/15/1018397815.db2.gz ZLSKIYRLNLDUET-NOZJJQNGSA-N -1 0 314.342 -0.578 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCc2ccoc2)C1 ZINC001604523471 1018398316 /nfs/dbraw/zinc/39/83/16/1018398316.db2.gz QMFCQKRTVALAFJ-HNNXBMFYSA-N -1 0 324.333 -0.112 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N[C@@]2(CC(=O)[O-])CCOC2)C1=O ZINC001604554597 1018399344 /nfs/dbraw/zinc/39/93/44/1018399344.db2.gz MILJGEXGUKDROI-CYBMUJFWSA-N -1 0 313.310 -0.933 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCc2ncoc2C)CCO1 ZINC001604550683 1018399393 /nfs/dbraw/zinc/39/93/93/1018399393.db2.gz OJGIIXLOJFLBBE-CYBMUJFWSA-N -1 0 313.310 -0.005 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C[C@H]2COC(=O)C2)CCO1 ZINC001604551596 1018399813 /nfs/dbraw/zinc/39/98/13/1018399813.db2.gz SGCFKTNEOLLQTE-NOZJJQNGSA-N -1 0 301.295 -0.732 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCCc2cnccn2)CCO1 ZINC001604551459 1018400083 /nfs/dbraw/zinc/40/00/83/1018400083.db2.gz WUWSXKPIYLDMFQ-CQSZACIVSA-N -1 0 324.337 -0.469 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@]2(O)CCSC2)CCO1 ZINC001604549120 1018400138 /nfs/dbraw/zinc/40/01/38/1018400138.db2.gz BIPBHVWISUZOTN-NWDGAFQWSA-N -1 0 305.352 -0.817 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCc2ncoc2C)CCO1 ZINC001604550685 1018400221 /nfs/dbraw/zinc/40/02/21/1018400221.db2.gz OJGIIXLOJFLBBE-ZDUSSCGKSA-N -1 0 313.310 -0.005 20 0 DBADRM COC[C@]1(C(=O)[O-])CN([C@@H]2CCN(C3CCC3)C2=O)CCO1 ZINC001604557789 1018401158 /nfs/dbraw/zinc/40/11/58/1018401158.db2.gz JLVCDGNPJJADFT-DOMZBBRYSA-N -1 0 312.366 -0.058 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CC(=O)Nc2cnccn2)CCO1 ZINC001604557998 1018401365 /nfs/dbraw/zinc/40/13/65/1018401365.db2.gz KRHSBTWSGOWXSD-ZDUSSCGKSA-N -1 0 310.310 -0.783 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CC2CCS(=O)(=O)CC2)CCO1 ZINC001604556834 1018401579 /nfs/dbraw/zinc/40/15/79/1018401579.db2.gz BQWGITFEVZAJRJ-CYBMUJFWSA-N -1 0 321.395 -0.387 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cnc(C)nc2N)CCO1 ZINC001604557674 1018401791 /nfs/dbraw/zinc/40/17/91/1018401791.db2.gz ISWVHOBCCPQNCZ-CYBMUJFWSA-N -1 0 310.310 -0.691 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2nccn3ccnc23)CCO1 ZINC001604559348 1018401872 /nfs/dbraw/zinc/40/18/72/1018401872.db2.gz XLXTUYWKQNRYBD-AWEZNQCLSA-N -1 0 320.305 -0.329 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cn(CC3CC3)nn2)CCO1 ZINC001604558676 1018402182 /nfs/dbraw/zinc/40/21/82/1018402182.db2.gz RIQSMMDDZUVQOD-AWEZNQCLSA-N -1 0 324.337 -0.370 20 0 DBADRM CC1(C)OC[C@H](/C=C\C(=O)N[C@H](Cn2cncn2)C(=O)[O-])O1 ZINC001604562395 1018402649 /nfs/dbraw/zinc/40/26/49/1018402649.db2.gz TVVMWXRCTKBFFC-RWCMCFKCSA-N -1 0 310.310 -0.445 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN([C@@H]2CCN(C3CCC3)C2=O)CCO1 ZINC001604557792 1018402883 /nfs/dbraw/zinc/40/28/83/1018402883.db2.gz JLVCDGNPJJADFT-IUODEOHRSA-N -1 0 312.366 -0.058 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H]2CC[C@H]2C(=O)OC)CCO1 ZINC001604558388 1018403042 /nfs/dbraw/zinc/40/30/42/1018403042.db2.gz WCESQPSXXJMHKL-RBZYPMLTSA-N -1 0 315.322 -0.486 20 0 DBADRM C[C@]1(CC(=O)N2CCOC[C@H]2CC(=O)[O-])CCS(=O)(=O)N1 ZINC001604568312 1018404784 /nfs/dbraw/zinc/40/47/84/1018404784.db2.gz BAQZCKRYTODJGD-BXKDBHETSA-N -1 0 320.367 -0.840 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1=O ZINC001604566270 1018404793 /nfs/dbraw/zinc/40/47/93/1018404793.db2.gz TYHYNWZEPVOURZ-MEBBXXQBSA-N -1 0 321.333 -0.004 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1(F)F ZINC001604575982 1018406887 /nfs/dbraw/zinc/40/68/87/1018406887.db2.gz UNKDGDKBYYZVAE-RGNHYFCHSA-N -1 0 320.292 -0.558 20 0 DBADRM CC1(CCNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)OCCO1 ZINC001604572677 1018407043 /nfs/dbraw/zinc/40/70/43/1018407043.db2.gz LWQABNWUEYQEIV-NXEZZACHSA-N -1 0 302.327 -0.384 20 0 DBADRM C[C@@]1(CCC(=O)NCCn2cc(C(=O)[O-])nn2)CCC(=O)N1 ZINC001604573118 1018407070 /nfs/dbraw/zinc/40/70/70/1018407070.db2.gz ZKRZFLDUYXCWRE-CYBMUJFWSA-N -1 0 309.326 -0.459 20 0 DBADRM CC1(CO)CCN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001604583508 1018407726 /nfs/dbraw/zinc/40/77/26/1018407726.db2.gz XETXPYMDAAIBRH-NSHDSACASA-N -1 0 310.350 -0.103 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1(F)F ZINC001604575980 1018407792 /nfs/dbraw/zinc/40/77/92/1018407792.db2.gz UNKDGDKBYYZVAE-DNSOKLHBSA-N -1 0 320.292 -0.558 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@]1(OC)CCS(=O)(=O)C1 ZINC001604598114 1018409356 /nfs/dbraw/zinc/40/93/56/1018409356.db2.gz XSPSGXUDNTUFRW-GFCCVEGCSA-N -1 0 323.367 -0.860 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@]1(OC)CCS(=O)(=O)C1 ZINC001604598117 1018408780 /nfs/dbraw/zinc/40/87/80/1018408780.db2.gz XSPSGXUDNTUFRW-LBPRGKRZSA-N -1 0 323.367 -0.860 20 0 DBADRM C[C@@]1(NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CCOC1=O ZINC001604589887 1018409493 /nfs/dbraw/zinc/40/94/93/1018409493.db2.gz FSEOXEHTRHFSCD-TVQRCGJNSA-N -1 0 300.311 -0.441 20 0 DBADRM C[C@]1(NS(=O)(=O)c2cc(C(=O)[O-])ccn2)CCOC1=O ZINC001604597860 1018410398 /nfs/dbraw/zinc/41/03/98/1018410398.db2.gz LPYVEWSLESELMP-NSHDSACASA-N -1 0 300.292 -0.236 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCCCS(C)(=O)=O ZINC001604599710 1018411392 /nfs/dbraw/zinc/41/13/92/1018411392.db2.gz AKKKTXQFMZTUIG-UHFFFAOYSA-N -1 0 310.372 -0.446 20 0 DBADRM CC1=C(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])C(=O)OC1(C)C ZINC001604607845 1018412724 /nfs/dbraw/zinc/41/27/24/1018412724.db2.gz OHCJYPRRLUESJV-QMMMGPOBSA-N -1 0 313.306 -0.029 20 0 DBADRM COCCNC(=O)c1cc(N2CCO[C@H](C(=O)[O-])C2)ccn1 ZINC001604611466 1018413030 /nfs/dbraw/zinc/41/30/30/1018413030.db2.gz BBPDKCIYLWVTEU-LBPRGKRZSA-N -1 0 309.322 -0.252 20 0 DBADRM C[C@@]1(c2cccc(C(=O)N3CC(C(=O)[O-])C3)c2)NC(=O)NC1=O ZINC001604599831 1018413253 /nfs/dbraw/zinc/41/32/53/1018413253.db2.gz BDDUQBGAKWSELQ-HNNXBMFYSA-N -1 0 317.301 -0.102 20 0 DBADRM CC1=C(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)[C@H](C)n2nnnc2N1C ZINC001604607958 1018413331 /nfs/dbraw/zinc/41/33/31/1018413331.db2.gz PTSPJOBIEFDZOV-SDBXPKJASA-N -1 0 324.316 -0.017 20 0 DBADRM CCn1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)ccc1=O ZINC001604605798 1018413364 /nfs/dbraw/zinc/41/33/64/1018413364.db2.gz ASJCRUINIHKBBJ-UHFFFAOYSA-N -1 0 315.297 -0.722 20 0 DBADRM CCn1nc(C)c(C(=O)COc2cnc(-c3nnn[n-]3)nc2)n1 ZINC001604616919 1018414320 /nfs/dbraw/zinc/41/43/20/1018414320.db2.gz UYVZTGIDYCKIKK-UHFFFAOYSA-N -1 0 315.297 -0.162 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2CC[C@@](O)(C(=O)[O-])C2)C1=O ZINC001604614796 1018414486 /nfs/dbraw/zinc/41/44/86/1018414486.db2.gz SZICPWKADPTBBH-AWEZNQCLSA-N -1 0 310.306 -0.870 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1=O ZINC001604614264 1018414532 /nfs/dbraw/zinc/41/45/32/1018414532.db2.gz BPISNJZSLCNZTK-WDEREUQCSA-N -1 0 324.333 -0.624 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001604620311 1018415063 /nfs/dbraw/zinc/41/50/63/1018415063.db2.gz MEQGOTFGZCKNSQ-AEJSXWLSSA-N -1 0 311.338 -0.607 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@]2(CCOC2)C1 ZINC001604624823 1018417392 /nfs/dbraw/zinc/41/73/92/1018417392.db2.gz UCIUMXGUXGCJHP-HFAKWTLXSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H]1[C@@H](Nc2ncc(C(=O)[O-])cn2)CCN1C(=O)CC(N)=O ZINC001604646659 1018419816 /nfs/dbraw/zinc/41/98/16/1018419816.db2.gz PJCNULYDRVDEFR-APPZFPTMSA-N -1 0 307.310 -0.549 20 0 DBADRM C[C@H]1[C@@H](Nc2ncc(C(=O)[O-])cn2)CCN1C(=O)CC(N)=O ZINC001604646665 1018420352 /nfs/dbraw/zinc/42/03/52/1018420352.db2.gz PJCNULYDRVDEFR-CBAPKCEASA-N -1 0 307.310 -0.549 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCS1(=O)=O ZINC001604640224 1018420835 /nfs/dbraw/zinc/42/08/35/1018420835.db2.gz VQASOTBNUPRPPG-JLIMGVALSA-N -1 0 305.352 -0.347 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CO1 ZINC001604648346 1018422089 /nfs/dbraw/zinc/42/20/89/1018422089.db2.gz NNJDAQSMPCRSHR-TYNCELHUSA-N -1 0 312.366 -0.201 20 0 DBADRM COCc1nccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC001604651891 1018422388 /nfs/dbraw/zinc/42/23/88/1018422388.db2.gz ZXTKUILAYBXPQH-UHFFFAOYSA-N -1 0 322.321 -0.067 20 0 DBADRM C[C@H]1C[C@H](CO)CN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001604661643 1018422897 /nfs/dbraw/zinc/42/28/97/1018422897.db2.gz BGFXLPPHAQNZBJ-FIQHERPVSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H]1C[C@@H](CO)CN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001604661706 1018422987 /nfs/dbraw/zinc/42/29/87/1018422987.db2.gz CAUZUTVWNAKJAK-QCNOEVLYSA-N -1 0 312.366 -0.167 20 0 DBADRM CON1CCC(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC001604661203 1018423054 /nfs/dbraw/zinc/42/30/54/1018423054.db2.gz FFQHOJBECSAISC-UHFFFAOYSA-N -1 0 313.354 -0.501 20 0 DBADRM C[C@H]1C[C@H](C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)CO1 ZINC001604648353 1018423307 /nfs/dbraw/zinc/42/33/07/1018423307.db2.gz OAXBHTBYLJGNAQ-UWVGGRQHSA-N -1 0 308.338 -0.108 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001604661271 1018423440 /nfs/dbraw/zinc/42/34/40/1018423440.db2.gz INLUZFXVVKCMGN-GMTAPVOTSA-N -1 0 314.338 -0.770 20 0 DBADRM CON(C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)[C@@H](C)C(=O)[O-] ZINC001604651406 1018423628 /nfs/dbraw/zinc/42/36/28/1018423628.db2.gz QLSBEBFDCGKMMD-DTWKUNHWSA-N -1 0 317.342 -0.744 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)Cn2cc(C(=O)[O-])cn2)CCS1(=O)=O ZINC001604672017 1018425882 /nfs/dbraw/zinc/42/58/82/1018425882.db2.gz GIMYSPCYJYHLKJ-SCZZXKLOSA-N -1 0 315.351 -0.337 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H]2CCS(=O)(=O)[C@H](C)C2)O[C@H]1C(=O)[O-] ZINC001604674629 1018428284 /nfs/dbraw/zinc/42/82/84/1018428284.db2.gz YXFAQXHLQWAEBW-ISUQUUIWSA-N -1 0 319.379 -0.054 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(Cn2cnc(-c3nnn[n-]3)n2)o1 ZINC001604691312 1018430362 /nfs/dbraw/zinc/43/03/62/1018430362.db2.gz IHNRXZNICZYIFV-UHFFFAOYSA-N -1 0 324.326 -0.650 20 0 DBADRM COc1cc(CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)ccc1O ZINC001604701131 1018432713 /nfs/dbraw/zinc/43/27/13/1018432713.db2.gz WOVPTQSDEBADSR-UHFFFAOYSA-N -1 0 322.317 -0.301 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])ccc1F ZINC001604721737 1018434178 /nfs/dbraw/zinc/43/41/78/1018434178.db2.gz JTLKYYMQYHUGAF-CYBMUJFWSA-N -1 0 314.269 -0.275 20 0 DBADRM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1Cc1nc(N)nc(N)n1 ZINC001604713563 1018434725 /nfs/dbraw/zinc/43/47/25/1018434725.db2.gz LJOLNFOMCYEZHK-HXFLIBJXSA-N -1 0 308.342 -0.369 20 0 DBADRM C[C@H]1CCCCN1S(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001604733722 1018435556 /nfs/dbraw/zinc/43/55/56/1018435556.db2.gz HCSQFPXBRJDOQR-UWVGGRQHSA-N -1 0 322.383 -0.089 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@@H]2CCNc3c2nnn3C)[C@H](C(=O)[O-])C1 ZINC001604743143 1018436223 /nfs/dbraw/zinc/43/62/23/1018436223.db2.gz HXLWKUOPHBUYMF-BBBLOLIVSA-N -1 0 307.354 -0.078 20 0 DBADRM COc1cc(NC(=O)c2cccn(CC(=O)[O-])c2=O)ncn1 ZINC001604732112 1018436673 /nfs/dbraw/zinc/43/66/73/1018436673.db2.gz UZYQCPJJPBUZCW-UHFFFAOYSA-N -1 0 304.262 -0.016 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)[C@@H]1CO ZINC001604742369 1018436801 /nfs/dbraw/zinc/43/68/01/1018436801.db2.gz WGUWAXFRWMAPGB-WNYYMSAVSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1CCN(C(=O)C2=NN(CCO)C(=O)CC2)[C@@H](C(=O)[O-])C1 ZINC001604741348 1018437208 /nfs/dbraw/zinc/43/72/08/1018437208.db2.gz IUUQUMAYROWKAT-MWLCHTKSSA-N -1 0 311.338 -0.331 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@H]1CO ZINC001604757172 1018439404 /nfs/dbraw/zinc/43/94/04/1018439404.db2.gz IKXWBTFLJGMLBV-PWSUYJOCSA-N -1 0 320.411 -0.022 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001604758840 1018439556 /nfs/dbraw/zinc/43/95/56/1018439556.db2.gz DLHSLTVWRRONLC-BBBLOLIVSA-N -1 0 315.395 -0.030 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001604758410 1018439575 /nfs/dbraw/zinc/43/95/75/1018439575.db2.gz AOUMAGKVEQMONF-APPZFPTMSA-N -1 0 313.335 -0.417 20 0 DBADRM C[C@H]1CCOCCN1C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001604760649 1018441289 /nfs/dbraw/zinc/44/12/89/1018441289.db2.gz QMQJVWRRFALGLB-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@H]1CN(C(=O)COC(=O)Cn2ccc(C(=O)[O-])n2)CCO1 ZINC001604768740 1018442564 /nfs/dbraw/zinc/44/25/64/1018442564.db2.gz GODNELKTGFFUJJ-VIFPVBQESA-N -1 0 311.294 -0.628 20 0 DBADRM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001604766693 1018442757 /nfs/dbraw/zinc/44/27/57/1018442757.db2.gz LELPPGBKLMPPSN-WLTAIBSBSA-N -1 0 320.349 -0.123 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC(O)(C(=O)[O-])CC2)CC(C)(C)O1 ZINC001604768482 1018442977 /nfs/dbraw/zinc/44/29/77/1018442977.db2.gz DCJPPPFMZOIDGT-LLVKDONJSA-N -1 0 314.382 -0.076 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1Nc1ccnc(C(=O)[O-])n1 ZINC001604780959 1018447850 /nfs/dbraw/zinc/44/78/50/1018447850.db2.gz RCEFAYQTAHCEFX-SCZZXKLOSA-N -1 0 316.321 -0.108 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001604785073 1018448913 /nfs/dbraw/zinc/44/89/13/1018448913.db2.gz BMHQKJIPHWPTCC-SSDOTTSWSA-N -1 0 302.308 -0.171 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1Nc1ccnc(C(=O)[O-])n1 ZINC001604781077 1018448986 /nfs/dbraw/zinc/44/89/86/1018448986.db2.gz UMCWGIMMBDHEGF-APPZFPTMSA-N -1 0 317.309 -0.713 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)N(C)CCF ZINC001604789777 1018451077 /nfs/dbraw/zinc/45/10/77/1018451077.db2.gz YMZYWOWQJHXPGG-SNVBAGLBSA-N -1 0 303.334 -0.578 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)Nc1ccnn1C ZINC001604789642 1018451190 /nfs/dbraw/zinc/45/11/90/1018451190.db2.gz WSFQEODZJZSWGQ-SNVBAGLBSA-N -1 0 323.353 -0.634 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)c1cnn(C)c1 ZINC001604794051 1018451958 /nfs/dbraw/zinc/45/19/58/1018451958.db2.gz IWNHYBPIHSEENF-JTQLQIEISA-N -1 0 316.383 -0.410 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCS(=O)(=O)C[C@@H](C)C1)C(=O)[O-] ZINC001604803672 1018453251 /nfs/dbraw/zinc/45/32/51/1018453251.db2.gz UGLCSGLSPLXGRN-DTWKUNHWSA-N -1 0 313.397 -0.597 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC(=O)N1 ZINC001604803817 1018453717 /nfs/dbraw/zinc/45/37/17/1018453717.db2.gz XDDHXGFDXDACGZ-KXUCPTDWSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@H](CS(=O)(=O)NCCN1C[C@@H](C)OC[C@H]1C)C(=O)[O-] ZINC001604796629 1018454249 /nfs/dbraw/zinc/45/42/49/1018454249.db2.gz QMUHWRMUSLWOHB-GMTAPVOTSA-N -1 0 308.400 -0.264 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC(=O)N1 ZINC001604803816 1018454441 /nfs/dbraw/zinc/45/44/41/1018454441.db2.gz XDDHXGFDXDACGZ-BBBLOLIVSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CC2)CCN1CCO ZINC001604802799 1018454513 /nfs/dbraw/zinc/45/45/13/1018454513.db2.gz NMNKGWFLJDMDDV-SNVBAGLBSA-N -1 0 306.384 -0.821 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@]1(C)CO ZINC001604808397 1018455607 /nfs/dbraw/zinc/45/56/07/1018455607.db2.gz VGDXNHZNFLPWRI-BXKDBHETSA-N -1 0 317.367 -0.393 20 0 DBADRM C[C@@H]1COCC[C@@H]1S(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001604820008 1018456683 /nfs/dbraw/zinc/45/66/83/1018456683.db2.gz MRMFUSIGCSBVQU-VPOLOUISSA-N -1 0 307.368 -0.349 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCCN1C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001604823166 1018458063 /nfs/dbraw/zinc/45/80/63/1018458063.db2.gz KDRUWGUWIUCMQA-OPRDCNLKSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001604834548 1018458285 /nfs/dbraw/zinc/45/82/85/1018458285.db2.gz LPBGOQGZPNUCAC-OIBJUYFYSA-N -1 0 316.339 -0.660 20 0 DBADRM C[C@@H]1OCC[C@H]1N(CCO)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001604836812 1018458309 /nfs/dbraw/zinc/45/83/09/1018458309.db2.gz YXIXSSNNWSUTOR-VHSXEESVSA-N -1 0 309.384 -0.101 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H](C(=O)[O-])c1ccn(C)n1 ZINC001604833689 1018458431 /nfs/dbraw/zinc/45/84/31/1018458431.db2.gz DUQUEIWYBQKAOB-SFGNSQDASA-N -1 0 303.340 -0.357 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1 ZINC001604833690 1018458701 /nfs/dbraw/zinc/45/87/01/1018458701.db2.gz DUQUEIWYBQKAOB-UJNFCWOMSA-N -1 0 303.340 -0.357 20 0 DBADRM C[C@@H]1OCC[C@]12CN(CN1C[C@@H](C(=O)[O-])OC1=O)CCO2 ZINC001604834682 1018459322 /nfs/dbraw/zinc/45/93/22/1018459322.db2.gz LUVWBXLEQBJGQZ-KWBADKCTSA-N -1 0 300.311 -0.271 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001604833629 1018459720 /nfs/dbraw/zinc/45/97/20/1018459720.db2.gz JQRBQCQJOAFQMI-PELKAZGASA-N -1 0 316.335 -0.402 20 0 DBADRM C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001604838178 1018460569 /nfs/dbraw/zinc/46/05/69/1018460569.db2.gz RCSDMNVZMQROJE-VLEAKVRGSA-N -1 0 314.338 -0.677 20 0 DBADRM C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001604842272 1018461912 /nfs/dbraw/zinc/46/19/12/1018461912.db2.gz QFEXEJRKEDDFRM-KATARQTJSA-N -1 0 316.379 -0.303 20 0 DBADRM C[C@@H]1c2nncn2CCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001604844674 1018462015 /nfs/dbraw/zinc/46/20/15/1018462015.db2.gz LNJALKINKQIRBU-SNVBAGLBSA-N -1 0 307.354 -0.022 20 0 DBADRM C[C@H]1SCC[C@H]1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001604842275 1018462023 /nfs/dbraw/zinc/46/20/23/1018462023.db2.gz QFEXEJRKEDDFRM-KYXWUPHJSA-N -1 0 316.379 -0.303 20 0 DBADRM C[C@H]1OCC[C@@]1(C)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604836933 1018462076 /nfs/dbraw/zinc/46/20/76/1018462076.db2.gz YMIZTBIDLGIQQL-NOZJJQNGSA-N -1 0 301.343 -0.166 20 0 DBADRM C[C@H]1SCC[C@@H]1NC(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001604842227 1018462128 /nfs/dbraw/zinc/46/21/28/1018462128.db2.gz PWBNHGQUPQGSLH-DOLQZWNJSA-N -1 0 316.379 -0.398 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)O[C@H](CC(=O)OC)C(=O)[O-])C1 ZINC001604853255 1018464215 /nfs/dbraw/zinc/46/42/15/1018464215.db2.gz OOHPXKJRKODLAW-DTWKUNHWSA-N -1 0 301.295 -0.196 20 0 DBADRM C/C=C(\CC)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001604846036 1018464763 /nfs/dbraw/zinc/46/47/63/1018464763.db2.gz JMZGAEYKTXVFMV-JQYSZMLTSA-N -1 0 309.322 -0.051 20 0 DBADRM COc1cccc(C(=O)CNC(=O)c2cn(CC(=O)[O-])nn2)c1 ZINC001604855222 1018465073 /nfs/dbraw/zinc/46/50/73/1018465073.db2.gz YSRJHTJZZJUVJY-UHFFFAOYSA-N -1 0 318.289 -0.016 20 0 DBADRM C/C=C(/CC)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001604846037 1018466508 /nfs/dbraw/zinc/46/65/08/1018466508.db2.gz JMZGAEYKTXVFMV-QDJRAUDGSA-N -1 0 309.322 -0.051 20 0 DBADRM CCC(=O)N1CCCC[C@H]1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001604860271 1018469133 /nfs/dbraw/zinc/46/91/33/1018469133.db2.gz PJHZWHSUPVZMQO-NSHDSACASA-N -1 0 323.353 -0.116 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N(C)CCNc1ncc(C(=O)[O-])cn1 ZINC001604857492 1018469191 /nfs/dbraw/zinc/46/91/91/1018469191.db2.gz MGXDHAWTUPHQBI-SECBINFHSA-N -1 0 323.353 -0.040 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1 ZINC001604859039 1018469592 /nfs/dbraw/zinc/46/95/92/1018469592.db2.gz CSWJHCNZRHSVRQ-OUAUKWLOSA-N -1 0 313.354 -0.526 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001604869756 1018471050 /nfs/dbraw/zinc/47/10/50/1018471050.db2.gz XHXWYQLXOCGFCU-WDEREUQCSA-N -1 0 320.411 -0.326 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC001604882712 1018474362 /nfs/dbraw/zinc/47/43/62/1018474362.db2.gz VKJFSLYFVOPGQP-VIFPVBQESA-N -1 0 300.311 -0.621 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC001604880737 1018474879 /nfs/dbraw/zinc/47/48/79/1018474879.db2.gz BRFVFQMYWJKTSY-PSASIEDQSA-N -1 0 314.338 -0.247 20 0 DBADRM COC(=O)C(C)(C)C(=O)COc1cnc(-c2nnn[n-]2)nc1 ZINC001604900796 1018480852 /nfs/dbraw/zinc/48/08/52/1018480852.db2.gz IZUGGFFPCCZICX-UHFFFAOYSA-N -1 0 306.282 -0.196 20 0 DBADRM COC(=O)[C@H](C)CN(C)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604903065 1018481180 /nfs/dbraw/zinc/48/11/80/1018481180.db2.gz FHNQFQKLCHMEGN-HTQZYQBOSA-N -1 0 322.329 -0.713 20 0 DBADRM COc1cncc(NC(=O)C(=O)N([C@@H](C)C(=O)[O-])C2CC2)n1 ZINC001604900262 1018482144 /nfs/dbraw/zinc/48/21/44/1018482144.db2.gz HCROJFUDHKCRTF-ZETCQYMHSA-N -1 0 308.294 -0.112 20 0 DBADRM COc1nccc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC001604907216 1018483207 /nfs/dbraw/zinc/48/32/07/1018483207.db2.gz VJVWSYWRPULTON-ZDUSSCGKSA-N -1 0 308.294 -0.253 20 0 DBADRM CC[C@](C)(NS(=O)(=O)CCS(=O)(=O)N(C)C)C(=O)[O-] ZINC001604915735 1018483950 /nfs/dbraw/zinc/48/39/50/1018483950.db2.gz ZPCLIDYQNKXIMA-VIFPVBQESA-N -1 0 316.401 -0.950 20 0 DBADRM CC[C@@](C)(NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001604911007 1018484518 /nfs/dbraw/zinc/48/45/18/1018484518.db2.gz FRNQCQGUSSBGBX-JMCQJSRRSA-N -1 0 311.298 -0.630 20 0 DBADRM COc1nnc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)s1 ZINC001604911810 1018484537 /nfs/dbraw/zinc/48/45/37/1018484537.db2.gz HDLPNIGYVXUMLO-LURJTMIESA-N -1 0 314.323 -0.192 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)CCn1nc(C)oc1=O)C(=O)[O-] ZINC001604915540 1018484980 /nfs/dbraw/zinc/48/49/80/1018484980.db2.gz WUWBJXBFVFBIHU-SNVBAGLBSA-N -1 0 307.328 -0.683 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)Nc1cccnc1C(=O)[O-] ZINC001604920205 1018486196 /nfs/dbraw/zinc/48/61/96/1018486196.db2.gz PENVGYMMKIKVBT-SSDOTTSWSA-N -1 0 317.323 -0.693 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)c1cccc(C(=O)[O-])c1 ZINC001604920523 1018487196 /nfs/dbraw/zinc/48/71/96/1018487196.db2.gz XRBUMCDKCVLXEM-JTQLQIEISA-N -1 0 301.320 -0.480 20 0 DBADRM CS(=O)(=O)Cc1noc(CN2CCC[C@H](C(=O)[O-])C2)n1 ZINC001604920724 1018487766 /nfs/dbraw/zinc/48/77/66/1018487766.db2.gz BBYBCXNPJIPHGX-QMMMGPOBSA-N -1 0 303.340 -0.089 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC001604927197 1018490803 /nfs/dbraw/zinc/49/08/03/1018490803.db2.gz GGHUGNBPZKAUKN-IHWYPQMZSA-N -1 0 314.319 -0.249 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1C[C@@H](OC)[C@@H](OC)C1)C(=O)[O-] ZINC001604931806 1018492582 /nfs/dbraw/zinc/49/25/82/1018492582.db2.gz KWTODGQMEAHJMW-HNCHTBHHSA-N -1 0 302.371 -0.053 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H]2C[C@H]1C[S@]2=O)C(=O)[O-] ZINC001604931231 1018493229 /nfs/dbraw/zinc/49/32/29/1018493229.db2.gz HTYHRIILVAKSGT-CWKIRCSMSA-N -1 0 302.396 -0.193 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)Cn1cc(S(C)(=O)=O)cn1)C(=O)[O-] ZINC001604937309 1018493942 /nfs/dbraw/zinc/49/39/42/1018493942.db2.gz RKSGIAYTGDRHFO-GZMMTYOYSA-N -1 0 317.367 -0.098 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001604963687 1018498397 /nfs/dbraw/zinc/49/83/97/1018498397.db2.gz VLLFYAINNJDAGG-WDEREUQCSA-N -1 0 308.400 -0.168 20 0 DBADRM COC(=O)[C@H](C)N(C)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604959820 1018498789 /nfs/dbraw/zinc/49/87/89/1018498789.db2.gz JRVCNDVGVYGLFW-RQJHMYQMSA-N -1 0 308.302 -0.961 20 0 DBADRM CSCC[C@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)C(N)=O ZINC001604958841 1018499124 /nfs/dbraw/zinc/49/91/24/1018499124.db2.gz QPQGIJNCGSVXKL-ZETCQYMHSA-N -1 0 315.355 -0.304 20 0 DBADRM C[C@@H](O)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001604994332 1018500836 /nfs/dbraw/zinc/50/08/36/1018500836.db2.gz PLDPEYCSZHINSP-QYNIQEEDSA-N -1 0 312.244 -0.510 20 0 DBADRM CO[C@H](C(=O)Nc1c[nH]nc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001604996074 1018501309 /nfs/dbraw/zinc/50/13/09/1018501309.db2.gz SJLAIFNRBDOQST-VIFPVBQESA-N -1 0 303.286 -0.351 20 0 DBADRM CO[C@@H](C)C(=O)NCCN(C)c1ccc(-c2nn[nH]n2)nc1 ZINC001604999503 1018501791 /nfs/dbraw/zinc/50/17/91/1018501791.db2.gz FJOMZMMUVFVUGS-VIFPVBQESA-N -1 0 305.342 -0.151 20 0 DBADRM COC(C)(C)[C@@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604995027 1018503453 /nfs/dbraw/zinc/50/34/53/1018503453.db2.gz AZEUTDURYNYLTC-JGVFFNPUSA-N -1 0 308.346 -0.051 20 0 DBADRM C[C@@H](O)[C@@H](CO)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001604994254 1018503735 /nfs/dbraw/zinc/50/37/35/1018503735.db2.gz BVBXEAPIIZIXIV-LDYMZIIASA-N -1 0 310.306 -0.890 20 0 DBADRM CC(C)[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CCC1 ZINC001500886685 1018504061 /nfs/dbraw/zinc/50/40/61/1018504061.db2.gz OEROKTUDDBIRJB-VIFPVBQESA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001605011698 1018505190 /nfs/dbraw/zinc/50/51/90/1018505190.db2.gz FWJZAYYQLPQMAC-ZNSHCXBVSA-N -1 0 319.379 -0.194 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]c1n[nH]c(C)c1-c1nn[nH]n1 ZINC001605005691 1018505465 /nfs/dbraw/zinc/50/54/65/1018505465.db2.gz QCVFXXYZEAEBKZ-YFKPBYRVSA-N -1 0 301.332 -0.325 20 0 DBADRM CCC(CC)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001605011813 1018505915 /nfs/dbraw/zinc/50/59/15/1018505915.db2.gz URIUMZBCMHVFRE-WDEREUQCSA-N -1 0 312.366 -0.167 20 0 DBADRM CO[C@H](C)CC(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001605002310 1018506039 /nfs/dbraw/zinc/50/60/39/1018506039.db2.gz JAVRGKLKNVTTBG-SECBINFHSA-N -1 0 320.357 -0.366 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001605004265 1018508043 /nfs/dbraw/zinc/50/80/43/1018508043.db2.gz KPQOGKURNSRKIQ-KBVBSXBZSA-N -1 0 304.368 -0.078 20 0 DBADRM CC[C@H](CNC(=O)C(F)(F)C(=O)N1CCOCC1)C(=O)[O-] ZINC001605026887 1018508891 /nfs/dbraw/zinc/50/88/91/1018508891.db2.gz NPFLCGDJKRSDSM-MRVPVSSYSA-N -1 0 308.281 -0.293 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC001605020270 1018509597 /nfs/dbraw/zinc/50/95/97/1018509597.db2.gz AXXZEZCMEXKVSB-KRTXAFLBSA-N -1 0 311.367 -0.120 20 0 DBADRM CO[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C[C@H]1C ZINC001605031727 1018510092 /nfs/dbraw/zinc/51/00/92/1018510092.db2.gz BKXRDCNLUUEVCL-HTQZYQBOSA-N -1 0 321.341 -0.885 20 0 DBADRM CC[C@@H](CNC(=O)Cn1cccc(C(=O)OC)c1=O)C(=O)[O-] ZINC001605033850 1018510309 /nfs/dbraw/zinc/51/03/09/1018510309.db2.gz XSKOADULCLSZDB-VIFPVBQESA-N -1 0 310.306 -0.138 20 0 DBADRM CO[C@@H]1CC[C@@H](NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001605029492 1018510347 /nfs/dbraw/zinc/51/03/47/1018510347.db2.gz MDBQEPNYRSOASQ-IWSPIJDZSA-N -1 0 306.330 -0.297 20 0 DBADRM CC[C@H](CNC(=O)C(=O)Nc1cnn(CCOC)c1)C(=O)[O-] ZINC001605024350 1018510755 /nfs/dbraw/zinc/51/07/55/1018510755.db2.gz VQTGKDZREZTRKE-SECBINFHSA-N -1 0 312.326 -0.305 20 0 DBADRM CC[C@@H](CCO)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001605022386 1018511214 /nfs/dbraw/zinc/51/12/14/1018511214.db2.gz NUZCICWHORWKSB-GUBZILKMSA-N -1 0 303.359 -0.328 20 0 DBADRM COCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nnn[n-]2)n1 ZINC001605038037 1018513098 /nfs/dbraw/zinc/51/30/98/1018513098.db2.gz HUHVWBJSYNUMHI-IUCAKERBSA-N -1 0 316.325 -0.907 20 0 DBADRM CC[C@@H](CNS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001605040667 1018516839 /nfs/dbraw/zinc/51/68/39/1018516839.db2.gz WRCPKKXJYGDJSU-WPRPVWTQSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@H](NC(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)C(=O)[O-] ZINC001605042642 1018517146 /nfs/dbraw/zinc/51/71/46/1018517146.db2.gz AYQAJJFBICSMAT-QMMMGPOBSA-N -1 0 322.321 -0.162 20 0 DBADRM CC[C@H](COC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC001605050291 1018518269 /nfs/dbraw/zinc/51/82/69/1018518269.db2.gz XKJLGXDWQIAOFL-MRVPVSSYSA-N -1 0 308.294 -0.216 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-] ZINC001605050613 1018518281 /nfs/dbraw/zinc/51/82/81/1018518281.db2.gz UYWNFUGONJAMRJ-XPTSAGLGSA-N -1 0 310.354 -0.084 20 0 DBADRM CC[C@](COC)(NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-] ZINC001605050614 1018518406 /nfs/dbraw/zinc/51/84/06/1018518406.db2.gz UYWNFUGONJAMRJ-YMTOWFKASA-N -1 0 310.354 -0.084 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@@H]1CN(C(C)=O)CCO1)C(=O)[O-] ZINC001605046838 1018518588 /nfs/dbraw/zinc/51/85/88/1018518588.db2.gz GPGIHBBNSUAHSV-GWCFXTLKSA-N -1 0 302.327 -0.770 20 0 DBADRM CC[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])C1CCOCC1 ZINC001605069602 1018519124 /nfs/dbraw/zinc/51/91/24/1018519124.db2.gz FJJYHCIBNCJGKY-UWVGGRQHSA-N -1 0 304.318 -0.153 20 0 DBADRM CC[C@H](F)C(=O)N(C)C[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001605068917 1018520531 /nfs/dbraw/zinc/52/05/31/1018520531.db2.gz OJFDAXQDUDWMMZ-BDAKNGLRSA-N -1 0 314.317 -0.424 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001605069350 1018521503 /nfs/dbraw/zinc/52/15/03/1018521503.db2.gz YLWRHHAYWGRNRQ-YUMQZZPRSA-N -1 0 300.290 -0.766 20 0 DBADRM COC[C@@H]1COCCN1Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001605073571 1018521676 /nfs/dbraw/zinc/52/16/76/1018521676.db2.gz HTXXCNSTOXGSJP-LLVKDONJSA-N -1 0 320.353 -0.358 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)C1CC1 ZINC001605058203 1018521737 /nfs/dbraw/zinc/52/17/37/1018521737.db2.gz ZQQAZUWMNGSEKE-SECBINFHSA-N -1 0 324.366 -0.035 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@H](CO)Nc1ncc(C(=O)[O-])cn1 ZINC001605068680 1018522313 /nfs/dbraw/zinc/52/23/13/1018522313.db2.gz LICYNASRZBAGHB-IUCAKERBSA-N -1 0 300.290 -0.188 20 0 DBADRM COCC[C@H](C)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001605078259 1018524993 /nfs/dbraw/zinc/52/49/93/1018524993.db2.gz CXYFDIHPGMYGLM-DTWKUNHWSA-N -1 0 308.346 -0.192 20 0 DBADRM COCCC(=O)NC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001605074730 1018525337 /nfs/dbraw/zinc/52/53/37/1018525337.db2.gz NZPXTXLHMFFPOK-QMMMGPOBSA-N -1 0 306.330 -0.968 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1)C(=O)NC ZINC001605105240 1018526892 /nfs/dbraw/zinc/52/68/92/1018526892.db2.gz UVNRRMCFLQOUDR-JTQLQIEISA-N -1 0 315.351 -0.109 20 0 DBADRM CC[C@H](O)c1nnc(N2CCO[C@H](C(=O)[O-])C2)n1CCOC ZINC001605114596 1018532090 /nfs/dbraw/zinc/53/20/90/1018532090.db2.gz SGBQMMXFPZWCQU-UWVGGRQHSA-N -1 0 314.342 -0.342 20 0 DBADRM CCC[C@@H](C(=O)N(CC(=O)[O-])C1CCOCC1)S(N)(=O)=O ZINC001605193119 1018546490 /nfs/dbraw/zinc/54/64/90/1018546490.db2.gz SIQDPMYRLSODHE-JTQLQIEISA-N -1 0 322.383 -0.464 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@H](CCOC)C(=O)[O-])nn1 ZINC001605114265 1018532719 /nfs/dbraw/zinc/53/27/19/1018532719.db2.gz PJKNSNYKUPXHQM-RKDXNWHRSA-N -1 0 300.315 -0.732 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])nn1 ZINC001605112837 1018533154 /nfs/dbraw/zinc/53/31/54/1018533154.db2.gz BYDDACKCHJQOND-UWVGGRQHSA-N -1 0 312.326 -0.635 20 0 DBADRM COCc1nccc(NCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001605137935 1018536052 /nfs/dbraw/zinc/53/60/52/1018536052.db2.gz CXIQGUBQVPSIRA-UHFFFAOYSA-N -1 0 302.302 -0.493 20 0 DBADRM CCCCCNC(=O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001605271770 1018552852 /nfs/dbraw/zinc/55/28/52/1018552852.db2.gz HTWIDYRXISWYCA-LLVKDONJSA-N -1 0 320.411 -0.134 20 0 DBADRM CC[C@]1(O)CCCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001605148546 1018538178 /nfs/dbraw/zinc/53/81/78/1018538178.db2.gz LLJNRUHEZHQBAU-AWEZNQCLSA-N -1 0 315.370 -0.086 20 0 DBADRM CC[C@@H]1CC[C@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)O1 ZINC001605154716 1018538618 /nfs/dbraw/zinc/53/86/18/1018538618.db2.gz POTJTQWCONVOPC-ORXSELOVSA-N -1 0 319.379 -0.052 20 0 DBADRM CC[C@@H]1C(=O)N(CC)CCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001605150647 1018539110 /nfs/dbraw/zinc/53/91/10/1018539110.db2.gz NYHUPFVWIJVRAP-SNVBAGLBSA-N -1 0 309.326 -0.554 20 0 DBADRM CC[C@]1(O)CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC001605150122 1018539188 /nfs/dbraw/zinc/53/91/88/1018539188.db2.gz VWJWGIHOPSOPAZ-NSHDSACASA-N -1 0 303.340 -0.048 20 0 DBADRM CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001605150388 1018539683 /nfs/dbraw/zinc/53/96/83/1018539683.db2.gz KPOBMMQMTIAVME-VIFPVBQESA-N -1 0 322.321 -0.601 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)C1 ZINC001605148566 1018539930 /nfs/dbraw/zinc/53/99/30/1018539930.db2.gz LTGINXLIQMAQQN-RULNRJAQSA-N -1 0 314.338 -0.940 20 0 DBADRM CC[C@]1(COC)NC(=O)N(CCC(=O)NCCC(=O)[O-])C1=O ZINC001605145519 1018540681 /nfs/dbraw/zinc/54/06/81/1018540681.db2.gz NNNNCMNMVWWETH-CYBMUJFWSA-N -1 0 315.326 -0.686 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)C1 ZINC001605148565 1018540821 /nfs/dbraw/zinc/54/08/21/1018540821.db2.gz LTGINXLIQMAQQN-GPCCPHFNSA-N -1 0 314.338 -0.940 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCO1 ZINC001605172220 1018541272 /nfs/dbraw/zinc/54/12/72/1018541272.db2.gz ZNACAAVPXUYISG-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM CC[C@@H](C(=O)N1CC[C@](O)(C(=O)[O-])C1)N1CCO[C@H](CC)C1 ZINC001605171816 1018542144 /nfs/dbraw/zinc/54/21/44/1018542144.db2.gz BGQMJXSAOUHEDI-TYNCELHUSA-N -1 0 314.382 -0.076 20 0 DBADRM CCCN(C)CC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001605304550 1018555305 /nfs/dbraw/zinc/55/53/05/1018555305.db2.gz XREDWOZGNLYXBJ-UHFFFAOYSA-N -1 0 306.384 -0.524 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCO1 ZINC001605172219 1018543521 /nfs/dbraw/zinc/54/35/21/1018543521.db2.gz ZNACAAVPXUYISG-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM Cc1cc(CCC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])no1 ZINC001605166170 1018544403 /nfs/dbraw/zinc/54/44/03/1018544403.db2.gz XJYJACHETHJLHV-SNVBAGLBSA-N -1 0 316.335 -0.374 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)C[C@H](O)CO)ccc1C(=O)[O-] ZINC001605195030 1018544905 /nfs/dbraw/zinc/54/49/05/1018544905.db2.gz VAMVAVFFPAQEGM-JTQLQIEISA-N -1 0 310.306 -0.557 20 0 DBADRM CCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001605190382 1018545076 /nfs/dbraw/zinc/54/50/76/1018545076.db2.gz KBIOQGZUPVSWEN-GHMZBOCLSA-N -1 0 312.366 -0.023 20 0 DBADRM CCC[C@H](C(=O)NC1(C(=O)[O-])CCSCC1)S(N)(=O)=O ZINC001605193094 1018546680 /nfs/dbraw/zinc/54/66/80/1018546680.db2.gz RGKBFJXKHAUGGG-MRVPVSSYSA-N -1 0 324.424 -0.090 20 0 DBADRM CCC[C@H](C(=O)N1CC[C@@](OC)(C(=O)[O-])C1)S(N)(=O)=O ZINC001605192682 1018548052 /nfs/dbraw/zinc/54/80/52/1018548052.db2.gz NSPFWGAWJNYEEV-KCJUWKMLSA-N -1 0 308.356 -0.854 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001605245895 1018548996 /nfs/dbraw/zinc/54/89/96/1018548996.db2.gz MWXMBLHAKAHLLQ-RNCFNFMXSA-N -1 0 301.343 -0.037 20 0 DBADRM CCCC[C@@H](OC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)[O-] ZINC001605248364 1018549189 /nfs/dbraw/zinc/54/91/89/1018549189.db2.gz ZZQJFHMAFBFZMB-SECBINFHSA-N -1 0 310.372 -0.089 20 0 DBADRM CCC[C@@H](O)[C@@H](CO)NC(=O)Nc1cc(C(=O)[O-])nn1C ZINC001605218251 1018550434 /nfs/dbraw/zinc/55/04/34/1018550434.db2.gz VUCOAUOLBSMQDB-RKDXNWHRSA-N -1 0 300.315 -0.238 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001605289837 1018554254 /nfs/dbraw/zinc/55/42/54/1018554254.db2.gz PXXWUFAGWSLHMF-ONGXEEELSA-N -1 0 322.383 -0.858 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001605287711 1018555537 /nfs/dbraw/zinc/55/55/37/1018555537.db2.gz WRWVTWTTWOVNPJ-SNVBAGLBSA-N -1 0 317.367 -0.264 20 0 DBADRM CCCCCN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001605268934 1018555838 /nfs/dbraw/zinc/55/58/38/1018555838.db2.gz KLGWQDGIJXOVCG-UHFFFAOYSA-N -1 0 318.355 -0.226 20 0 DBADRM CCCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001605325987 1018556650 /nfs/dbraw/zinc/55/66/50/1018556650.db2.gz CLCCWPQDYIVWFW-MRVPVSSYSA-N -1 0 322.321 -0.251 20 0 DBADRM CCCNC(=O)CCC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605326439 1018556769 /nfs/dbraw/zinc/55/67/69/1018556769.db2.gz FMCLXSXFNFVZTE-VHSXEESVSA-N -1 0 314.338 -0.375 20 0 DBADRM CCCN1C[C@H](C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])CC1=O ZINC001605322879 1018557064 /nfs/dbraw/zinc/55/70/64/1018557064.db2.gz WPGQNJMDUFGFIG-MNOVXSKESA-N -1 0 308.338 -0.289 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001605345694 1018558238 /nfs/dbraw/zinc/55/82/38/1018558238.db2.gz MWMDKACJOPTVBT-LBPRGKRZSA-N -1 0 318.351 -0.357 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001605345632 1018558319 /nfs/dbraw/zinc/55/83/19/1018558319.db2.gz KBBZSGURZZDIBS-SECBINFHSA-N -1 0 303.340 -0.654 20 0 DBADRM CCCN1C[C@@H](C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])CC1=O ZINC001605322882 1018558565 /nfs/dbraw/zinc/55/85/65/1018558565.db2.gz WPGQNJMDUFGFIG-WDEREUQCSA-N -1 0 308.338 -0.289 20 0 DBADRM CCCNC(=O)[C@@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001605326216 1018559526 /nfs/dbraw/zinc/55/95/26/1018559526.db2.gz OMEWYJSCTYDMDN-ZJUUUORDSA-N -1 0 313.354 -0.660 20 0 DBADRM Cc1cccnc1CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001605360495 1018565439 /nfs/dbraw/zinc/56/54/39/1018565439.db2.gz QCAPFUAXNSBYRR-UHFFFAOYSA-N -1 0 317.305 -0.074 20 0 DBADRM Cc1cnc(S(=O)(=O)CCS(=O)(=O)CC(=O)[O-])c(C)c1 ZINC001605374762 1018567245 /nfs/dbraw/zinc/56/72/45/1018567245.db2.gz DIJTVUJZLCHVLO-UHFFFAOYSA-N -1 0 321.376 -0.028 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@H]1C[C@@H]1C ZINC001605400473 1018570585 /nfs/dbraw/zinc/57/05/85/1018570585.db2.gz HDHWDDNOFYCTED-CIUDSAMLSA-N -1 0 302.342 -0.349 20 0 DBADRM CCCn1nnnc1CN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001605391290 1018570653 /nfs/dbraw/zinc/57/06/53/1018570653.db2.gz LWZVTVOTFPSYJC-MNOVXSKESA-N -1 0 322.369 -0.552 20 0 DBADRM CCCn1nnnc1N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001605391319 1018571209 /nfs/dbraw/zinc/57/12/09/1018571209.db2.gz NESNHIHEXVOOPZ-ZDUSSCGKSA-N -1 0 310.358 -0.551 20 0 DBADRM CCCn1nccc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001605391120 1018572037 /nfs/dbraw/zinc/57/20/37/1018572037.db2.gz VGMAVKLROOIOKT-ZJUUUORDSA-N -1 0 324.337 -0.068 20 0 DBADRM CCCn1nnnc1CN1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001605391513 1018572792 /nfs/dbraw/zinc/57/27/92/1018572792.db2.gz SEFYUOOWGOVOSX-WDEREUQCSA-N -1 0 322.369 -0.648 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)c2cn(C)nn2)c1[O-] ZINC001501114410 1018575810 /nfs/dbraw/zinc/57/58/10/1018575810.db2.gz NIYXCYMZKQBAME-UHFFFAOYSA-N -1 0 321.341 -0.604 20 0 DBADRM Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001605416570 1018576244 /nfs/dbraw/zinc/57/62/44/1018576244.db2.gz QVNCGTDWYNQIEJ-OAHLLOKOSA-N -1 0 319.317 -0.343 20 0 DBADRM C[C@@H]1CN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCS1 ZINC001605414171 1018576297 /nfs/dbraw/zinc/57/62/97/1018576297.db2.gz CVBAZDJJYSHNSY-MRVPVSSYSA-N -1 0 323.386 -0.395 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@]3(C(=O)[O-])C[C@H]3C)CC2)[nH]1 ZINC001605403632 1018576868 /nfs/dbraw/zinc/57/68/68/1018576868.db2.gz OAHZQQOROYYSLA-OTYXRUKQSA-N -1 0 307.354 -0.132 20 0 DBADRM Cc1ncc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1C(N)=O ZINC001605420313 1018577612 /nfs/dbraw/zinc/57/76/12/1018577612.db2.gz FHAGQPNJACUUOW-ZDUSSCGKSA-N -1 0 308.294 -0.146 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001605425297 1018577717 /nfs/dbraw/zinc/57/77/17/1018577717.db2.gz YEZUHVAGEUDMSF-RKDXNWHRSA-N -1 0 302.342 -0.395 20 0 DBADRM Cc1nccc(N2CCN(C(=O)[C@H]3CC(C(=O)[O-])=NO3)CC2)n1 ZINC001605425355 1018578085 /nfs/dbraw/zinc/57/80/85/1018578085.db2.gz WVWXVWSJBFGAAP-LLVKDONJSA-N -1 0 319.321 -0.337 20 0 DBADRM Cc1ncc2c(n1)CC[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)C2 ZINC001605420390 1018578305 /nfs/dbraw/zinc/57/83/05/1018578305.db2.gz IADCQXAELMASPX-JTQLQIEISA-N -1 0 316.321 -0.252 20 0 DBADRM CCN(CC(N)=O)S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001605421643 1018578405 /nfs/dbraw/zinc/57/84/05/1018578405.db2.gz OGRMNXWZNAFDIR-UHFFFAOYSA-N -1 0 301.324 -0.416 20 0 DBADRM C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CCS1 ZINC001605418488 1018578422 /nfs/dbraw/zinc/57/84/22/1018578422.db2.gz FNORBJRTQCFGMJ-ZCFIWIBFSA-N -1 0 309.355 -0.805 20 0 DBADRM CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001605417229 1018578682 /nfs/dbraw/zinc/57/86/82/1018578682.db2.gz UQBVLGXOGAIZGW-UHFFFAOYSA-N -1 0 305.290 -0.085 20 0 DBADRM C[C@@H]1[C@H](O)CCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001605431906 1018582617 /nfs/dbraw/zinc/58/26/17/1018582617.db2.gz OIVSKLRMJMMUTA-HTQZYQBOSA-N -1 0 310.339 -0.595 20 0 DBADRM CCN(CCC(=O)NC)C(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001605438609 1018583126 /nfs/dbraw/zinc/58/31/26/1018583126.db2.gz BTUFIYPIPOJXBQ-JTQLQIEISA-N -1 0 313.354 -0.563 20 0 DBADRM CCN(CCC(=O)NC)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001605438679 1018583898 /nfs/dbraw/zinc/58/38/98/1018583898.db2.gz HSBBUZMNKLVGFU-UHFFFAOYSA-N -1 0 317.367 -0.130 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC001605442172 1018585929 /nfs/dbraw/zinc/58/59/29/1018585929.db2.gz QMJXGEFRVAYJLM-UHFFFAOYSA-N -1 0 301.324 -0.183 20 0 DBADRM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H](C)NC(C)=O ZINC001605448102 1018586414 /nfs/dbraw/zinc/58/64/14/1018586414.db2.gz STUMYXQGMYGYKH-VIFPVBQESA-N -1 0 323.353 -0.040 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)s1 ZINC001605441408 1018587019 /nfs/dbraw/zinc/58/70/19/1018587019.db2.gz YBMDJVXPWLCUJX-LBPRGKRZSA-N -1 0 312.351 -0.214 20 0 DBADRM CCN(CCOCCO)c1cc(C)nc2nc(C(=O)[O-])nn21 ZINC001605449393 1018590920 /nfs/dbraw/zinc/59/09/20/1018590920.db2.gz CULGRSSEXBVFOG-UHFFFAOYSA-N -1 0 309.326 -0.034 20 0 DBADRM Cn1c(CS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001605466145 1018594159 /nfs/dbraw/zinc/59/41/59/1018594159.db2.gz BCODLBKNUGXXIS-QMMMGPOBSA-N -1 0 302.356 -0.339 20 0 DBADRM CCN1C[C@H](S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1=O ZINC001605470269 1018595006 /nfs/dbraw/zinc/59/50/06/1018595006.db2.gz ADDLIXKUMOJDEH-FXPVBKGRSA-N -1 0 320.367 -0.984 20 0 DBADRM CCN1C[C@@H](CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1=O ZINC001605469008 1018595113 /nfs/dbraw/zinc/59/51/13/1018595113.db2.gz CIDSEPIFHTWTTE-SSDOTTSWSA-N -1 0 316.339 -0.745 20 0 DBADRM CCN(OC)C(=O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001605463582 1018595153 /nfs/dbraw/zinc/59/51/53/1018595153.db2.gz XTRTZDVUQXZBLC-UHFFFAOYSA-N -1 0 323.305 -0.151 20 0 DBADRM CCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC001605493252 1018604226 /nfs/dbraw/zinc/60/42/26/1018604226.db2.gz ODENIUPDMTWGHK-UHFFFAOYSA-N -1 0 304.324 -0.045 20 0 DBADRM CCN1CC[C@@H](NC(=O)Cn2cccc(C(=O)[O-])c2=O)C1=O ZINC001605472370 1018597308 /nfs/dbraw/zinc/59/73/08/1018597308.db2.gz MUAAQOCDORGNBV-SNVBAGLBSA-N -1 0 307.306 -0.717 20 0 DBADRM CCN1CC[C@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1=O ZINC001605472162 1018597596 /nfs/dbraw/zinc/59/75/96/1018597596.db2.gz HWGIYEOXQORKGO-VIFPVBQESA-N -1 0 322.321 -0.601 20 0 DBADRM Cn1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c(=O)n(C)c1=O ZINC001605481053 1018597696 /nfs/dbraw/zinc/59/76/96/1018597696.db2.gz HECBKBAPXWSABS-JTQLQIEISA-N -1 0 323.349 -0.057 20 0 DBADRM CCN1CCOC[C@H]1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001605484959 1018601781 /nfs/dbraw/zinc/60/17/81/1018601781.db2.gz CJKOOLAWRLZNOG-NSHDSACASA-N -1 0 309.326 -0.920 20 0 DBADRM CCN1CCO[C@H](C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)C1 ZINC001605483096 1018601981 /nfs/dbraw/zinc/60/19/81/1018601981.db2.gz ZWCLDVWBXWAEQM-SRVKXCTJSA-N -1 0 300.355 -0.439 20 0 DBADRM Cn1cc([C@@]2(CNC(=O)[C@H]3CC(C(=O)[O-])=NO3)CCCO2)cn1 ZINC001605483645 1018602860 /nfs/dbraw/zinc/60/28/60/1018602860.db2.gz LJNAJEWLELJWSW-RISCZKNCSA-N -1 0 322.321 -0.229 20 0 DBADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(CCS(C)(=O)=O)C2)cn1 ZINC001605488980 1018602901 /nfs/dbraw/zinc/60/29/01/1018602901.db2.gz OUZTYZPJCPJRRQ-WDEREUQCSA-N -1 0 315.395 -0.045 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N(CC(=O)[O-])C2CCOCC2)cn1 ZINC001605491122 1018603380 /nfs/dbraw/zinc/60/33/80/1018603380.db2.gz MWMVFLUMUOAGRF-LBPRGKRZSA-N -1 0 311.338 -0.584 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001605493465 1018603449 /nfs/dbraw/zinc/60/34/49/1018603449.db2.gz ZKWWJMVIBDVGIC-UHFFFAOYSA-N -1 0 313.335 -0.054 20 0 DBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)[C@@H]3CCC(=O)N3)C2)cn1 ZINC001605491121 1018604210 /nfs/dbraw/zinc/60/42/10/1018604210.db2.gz OOECGLBNVVMJJX-NHCYSSNCSA-N -1 0 320.349 -0.285 20 0 DBADRM CCNC(=O)CNS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001605493475 1018604342 /nfs/dbraw/zinc/60/43/42/1018604342.db2.gz SPPVEAUATVRAEW-UHFFFAOYSA-N -1 0 300.336 -0.060 20 0 DBADRM CCNC(=O)CN1CCCN(c2cc(C(=O)[O-])ncn2)CC1 ZINC001605492806 1018604962 /nfs/dbraw/zinc/60/49/62/1018604962.db2.gz CQLMOWWJGDVLCG-UHFFFAOYSA-N -1 0 307.354 -0.177 20 0 DBADRM Cn1cc(C[C@@H]2CCN(C(=O)C(=O)NCCC(=O)[O-])C2)cn1 ZINC001605490797 1018605160 /nfs/dbraw/zinc/60/51/60/1018605160.db2.gz BZEQMSLSHWPWIP-JTQLQIEISA-N -1 0 308.338 -0.598 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001605493230 1018605598 /nfs/dbraw/zinc/60/55/98/1018605598.db2.gz PSJSVBPOTHYGMO-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3cn[nH]n3)C2)cn1 ZINC001605489360 1018605759 /nfs/dbraw/zinc/60/57/59/1018605759.db2.gz DYHDHHVTYNXULP-DTWKUNHWSA-N -1 0 304.310 -0.131 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)N(CC(=O)[O-])C2CCOCC2)cn1 ZINC001605491118 1018605805 /nfs/dbraw/zinc/60/58/05/1018605805.db2.gz MWMVFLUMUOAGRF-GFCCVEGCSA-N -1 0 311.338 -0.584 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-])C(C)=O ZINC001605507571 1018606799 /nfs/dbraw/zinc/60/67/99/1018606799.db2.gz GIJDGIJHDTZVKU-SCVCMEIPSA-N -1 0 315.322 -0.419 20 0 DBADRM CCOC(=O)[C@](C)(O)CNC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001605508047 1018607005 /nfs/dbraw/zinc/60/70/05/1018607005.db2.gz LQGCUVAHNPGRGS-GFCCVEGCSA-N -1 0 314.298 -0.446 20 0 DBADRM Cn1ccc(CCNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001605505732 1018608888 /nfs/dbraw/zinc/60/88/88/1018608888.db2.gz ONMKBWHMLMPIKH-NSHDSACASA-N -1 0 308.338 -0.598 20 0 DBADRM CCOC(=O)[C@H](CSC)NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001605512239 1018610199 /nfs/dbraw/zinc/61/01/99/1018610199.db2.gz CKRXBEUECDVINZ-VIFPVBQESA-N -1 0 315.351 -0.008 20 0 DBADRM CCOC(=O)C1(CC(=O)N[C@@H](CO)C(=O)[O-])CCOCC1 ZINC001605517438 1018610622 /nfs/dbraw/zinc/61/06/22/1018610622.db2.gz LRFWIBAZJHHDCE-VIFPVBQESA-N -1 0 303.311 -0.702 20 0 DBADRM Cn1ccnc1[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001605511977 1018610842 /nfs/dbraw/zinc/61/08/42/1018610842.db2.gz LIKIUYPEHAIURS-GARJFASQSA-N -1 0 320.349 -0.285 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N1CCOC[C@@H]1CC(=O)[O-])C(C)=O ZINC001605509862 1018611114 /nfs/dbraw/zinc/61/11/14/1018611114.db2.gz VRMVVLAJMTXJDY-QWRGUYRKSA-N -1 0 315.322 -0.153 20 0 DBADRM CCOC(=O)C1(CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CCOCC1 ZINC001605517913 1018611766 /nfs/dbraw/zinc/61/17/66/1018611766.db2.gz UUOXEVSCHYABPL-KOLCDFICSA-N -1 0 317.338 -0.313 20 0 DBADRM Cn1cnnc1C1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001605522371 1018613599 /nfs/dbraw/zinc/61/35/99/1018613599.db2.gz FSSJHZAPHHEYEJ-JTQLQIEISA-N -1 0 307.310 -0.249 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001605533288 1018614034 /nfs/dbraw/zinc/61/40/34/1018614034.db2.gz YBNYCEDGCBRJMV-NEPJUHHUSA-N -1 0 322.365 -0.211 20 0 DBADRM CCOC(=O)[C@@H]1CN(Cn2nc(C(=O)[O-])ccc2=O)CCO1 ZINC001605530729 1018614306 /nfs/dbraw/zinc/61/43/06/1018614306.db2.gz DYNAXKDCTJEDSJ-JTQLQIEISA-N -1 0 311.294 -0.837 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)NC/C=C(\C)C(=O)[O-])CCO1 ZINC001605526520 1018614657 /nfs/dbraw/zinc/61/46/57/1018614657.db2.gz MGNSRJZYFSNMPQ-WXLQGSQKSA-N -1 0 300.311 -0.009 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCOCCOCC(=O)[O-] ZINC001605522994 1018614782 /nfs/dbraw/zinc/61/47/82/1018614782.db2.gz PBTNFJRAYPXEQM-GHMZBOCLSA-N -1 0 311.338 -0.242 20 0 DBADRM CCOC(=O)COCCN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001605541793 1018616025 /nfs/dbraw/zinc/61/60/25/1018616025.db2.gz FGVRKDAHWPZFQK-SNVBAGLBSA-N -1 0 323.367 -0.860 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1cc(C(=O)[O-])oc1C ZINC001605539585 1018616757 /nfs/dbraw/zinc/61/67/57/1018616757.db2.gz SGVPXKZSUOFVEW-UHFFFAOYSA-N -1 0 312.278 -0.223 20 0 DBADRM CCOC[C@H](C)NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605641129 1018640204 /nfs/dbraw/zinc/64/02/04/1018640204.db2.gz SSRRWLYLHQZDBH-IVZWLZJFSA-N -1 0 302.327 -0.073 20 0 DBADRM CCOC(=O)C[C@H]1CCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001605536138 1018618018 /nfs/dbraw/zinc/61/80/18/1018618018.db2.gz XUXQGWGVGHNUAC-SECBINFHSA-N -1 0 310.310 -0.080 20 0 DBADRM CCOCCOCC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001605638069 1018640220 /nfs/dbraw/zinc/64/02/20/1018640220.db2.gz GDFVCKNQLWYADS-ZJUUUORDSA-N -1 0 303.311 -0.628 20 0 DBADRM CCOC(=O)N1C[C@@H](CO)[C@@H](NCc2cc(C(=O)[O-])no2)C1 ZINC001605547296 1018620282 /nfs/dbraw/zinc/62/02/82/1018620282.db2.gz MHERZXJCPOGGBT-KWQFWETISA-N -1 0 313.310 -0.088 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN1CCN(Cc2nc[nH]n2)CC1 ZINC001605549612 1018620437 /nfs/dbraw/zinc/62/04/37/1018620437.db2.gz CMQXLKLMMNIZCH-UHFFFAOYSA-N -1 0 305.342 -0.446 20 0 DBADRM Cn1nccc1[C@H](NC(=O)c1ccc2n[nH]nc2n1)C(=O)[O-] ZINC001605568319 1018623260 /nfs/dbraw/zinc/62/32/60/1018623260.db2.gz PWILEDYHADXAPL-VIFPVBQESA-N -1 0 301.266 -0.358 20 0 DBADRM Cn1ncc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c1C(F)F ZINC001605559198 1018623637 /nfs/dbraw/zinc/62/36/37/1018623637.db2.gz GTRLOVIWEZWOJT-LLVKDONJSA-N -1 0 320.252 -0.752 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)N1CC(C(=O)[O-])C1)[nH]c2=O ZINC001605561600 1018623701 /nfs/dbraw/zinc/62/37/01/1018623701.db2.gz JLJWUJVOYXRUIE-UHFFFAOYSA-N -1 0 305.294 -0.456 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC001605563480 1018624593 /nfs/dbraw/zinc/62/45/93/1018624593.db2.gz NYLJAHQXYPNYTM-UBHAPETDSA-N -1 0 324.337 -0.525 20 0 DBADRM CCOC(=O)c1cc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)on1 ZINC001605565466 1018625553 /nfs/dbraw/zinc/62/55/53/1018625553.db2.gz NIVROAHCFSEEAL-JGVFFNPUSA-N -1 0 312.278 -0.241 20 0 DBADRM Cn1nncc1CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001605576149 1018627494 /nfs/dbraw/zinc/62/74/94/1018627494.db2.gz JCSMJQUBDSEAJI-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cn1nnnc1C1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001605576160 1018629178 /nfs/dbraw/zinc/62/91/78/1018629178.db2.gz JLPPLYUIEBJSLG-UHFFFAOYSA-N -1 0 323.353 -0.203 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O)CC2 ZINC001605571107 1018629222 /nfs/dbraw/zinc/62/92/22/1018629222.db2.gz KGIVWJYIUJLEMZ-KWQFWETISA-N -1 0 322.321 -0.851 20 0 DBADRM Cn1nnc2cc(NC(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)ccc21 ZINC001605576629 1018629674 /nfs/dbraw/zinc/62/96/74/1018629674.db2.gz POQXXEFOOLNFIP-MRVPVSSYSA-N -1 0 317.305 -0.160 20 0 DBADRM CCOC(=O)c1ncc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)s1 ZINC001605582945 1018629858 /nfs/dbraw/zinc/62/98/58/1018629858.db2.gz RGUDMTQPIMULIV-LBPRGKRZSA-N -1 0 314.319 -0.019 20 0 DBADRM CCO[C@H]1C[C@@](NC(=O)COCC(=O)OC)(C(=O)[O-])C1(C)C ZINC001605604977 1018630918 /nfs/dbraw/zinc/63/09/18/1018630918.db2.gz PXWNKHQIVABLPQ-LKFCYVNXSA-N -1 0 317.338 -0.049 20 0 DBADRM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001605598177 1018631325 /nfs/dbraw/zinc/63/13/25/1018631325.db2.gz XOYJMLWYMIMDED-RWOMURPVSA-N -1 0 319.379 -0.339 20 0 DBADRM CCO[C@@H]1C[C@](NC(=O)CS(C)(=O)=O)(C(=O)[O-])C1(C)C ZINC001605603848 1018631335 /nfs/dbraw/zinc/63/13/35/1018631335.db2.gz HPHMSPQYPHANTF-PELKAZGASA-N -1 0 307.368 -0.194 20 0 DBADRM CCO[C@H]1C[C@](NC(=O)[C@@H]2COC(=O)N2)(C(=O)[O-])C1(C)C ZINC001605603098 1018632477 /nfs/dbraw/zinc/63/24/77/1018632477.db2.gz ABJPOXVVEXHLSJ-UPFKWVMWSA-N -1 0 300.311 -0.131 20 0 DBADRM CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001605598175 1018632825 /nfs/dbraw/zinc/63/28/25/1018632825.db2.gz XOYJMLWYMIMDED-PXSXMVNOSA-N -1 0 319.379 -0.339 20 0 DBADRM CCOCC(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001605619145 1018634133 /nfs/dbraw/zinc/63/41/33/1018634133.db2.gz UAZFDVXVTVKVMY-UWVGGRQHSA-N -1 0 324.337 -0.733 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001605620588 1018634163 /nfs/dbraw/zinc/63/41/63/1018634163.db2.gz KXKXIFCTQMXHBR-FIQHERPVSA-N -1 0 301.339 -0.014 20 0 DBADRM CCOCC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001605617953 1018634467 /nfs/dbraw/zinc/63/44/67/1018634467.db2.gz DSWGYXUZPMCICT-RUETXSTFSA-N -1 0 319.379 -0.050 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)Nc2cc(C(=O)[O-])ccn2)O1 ZINC001605626664 1018638381 /nfs/dbraw/zinc/63/83/81/1018638381.db2.gz IJSHAHXCECXQNQ-BDAKNGLRSA-N -1 0 308.294 -0.066 20 0 DBADRM NC(=O)C1(NC(=O)COCC(=O)[O-])C2CC3CC(C2)CC1C3 ZINC001605626773 1018638675 /nfs/dbraw/zinc/63/86/75/1018638675.db2.gz LQHWTGFIHYLSRY-UHFFFAOYSA-N -1 0 310.350 -0.116 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)Nc2cc(C(=O)[O-])ccn2)O1 ZINC001605626667 1018638862 /nfs/dbraw/zinc/63/88/62/1018638862.db2.gz IJSHAHXCECXQNQ-RKDXNWHRSA-N -1 0 308.294 -0.066 20 0 DBADRM CCOC[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCO1 ZINC001605626392 1018639072 /nfs/dbraw/zinc/63/90/72/1018639072.db2.gz VINTYXSHOWVTNZ-GMTAPVOTSA-N -1 0 314.338 -0.770 20 0 DBADRM NC(=O)c1ccc(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)o1 ZINC001605641455 1018640053 /nfs/dbraw/zinc/64/00/53/1018640053.db2.gz DWANYDGONDFPED-SECBINFHSA-N -1 0 323.305 -0.682 20 0 DBADRM NC(=O)c1cn(C2CN(C(=O)C3(CC(=O)[O-])CCC3)C2)nn1 ZINC001605642535 1018640191 /nfs/dbraw/zinc/64/01/91/1018640191.db2.gz HSXOIOKQCHTBRE-UHFFFAOYSA-N -1 0 307.310 -0.595 20 0 DBADRM NC(=O)c1cnc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC001605642765 1018641028 /nfs/dbraw/zinc/64/10/28/1018641028.db2.gz KCCWXYUMFLUFNK-MRVPVSSYSA-N -1 0 313.697 -0.241 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])nc1Cl ZINC001605639674 1018641114 /nfs/dbraw/zinc/64/11/14/1018641114.db2.gz VMBLZEJYYCKKMR-MRVPVSSYSA-N -1 0 313.697 -0.241 20 0 DBADRM NS(=O)(=O)C[C@H]1CC[C@@H](NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC001605642880 1018641242 /nfs/dbraw/zinc/64/12/42/1018641242.db2.gz HUGYROSCBHCEPX-SGIHWFKDSA-N -1 0 304.368 -0.329 20 0 DBADRM NC(=O)c1cn(CC(=O)OCC(=O)C(=O)[O-])c2ccccc12 ZINC001605642977 1018641471 /nfs/dbraw/zinc/64/14/71/1018641471.db2.gz PGVBLVIJIFPGFK-UHFFFAOYSA-N -1 0 304.258 -0.063 20 0 DBADRM CCO[C@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001605651997 1018642442 /nfs/dbraw/zinc/64/24/42/1018642442.db2.gz IHQLISYSDYKARO-AXFHLTTASA-N -1 0 314.338 -0.628 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)ccn1 ZINC001605649864 1018643610 /nfs/dbraw/zinc/64/36/10/1018643610.db2.gz JJPMMKWVOUJQOM-VIFPVBQESA-N -1 0 313.335 -0.334 20 0 DBADRM CCON(C)C(=O)CNC(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001605647500 1018643698 /nfs/dbraw/zinc/64/36/98/1018643698.db2.gz UAZLBRAIDUIQCZ-LBPRGKRZSA-N -1 0 303.315 -0.719 20 0 DBADRM CCO[C@H]1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001605652140 1018643877 /nfs/dbraw/zinc/64/38/77/1018643877.db2.gz MAXSCIIBWVWLOA-GUBZILKMSA-N -1 0 301.343 -0.215 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001605643590 1018643944 /nfs/dbraw/zinc/64/39/44/1018643944.db2.gz ZZETWADGRWPBAP-UTLUCORTSA-N -1 0 319.383 -0.298 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[C@H]1CCCCS1(=O)=O)C2 ZINC001605660284 1018645684 /nfs/dbraw/zinc/64/56/84/1018645684.db2.gz LSOCLFDSENJLDL-CWSCBRNRSA-N -1 0 317.363 -0.487 20 0 DBADRM CCOc1ccc(N2CCN(CC(=O)NCC(=O)[O-])CC2)nn1 ZINC001605690795 1018646073 /nfs/dbraw/zinc/64/60/73/1018646073.db2.gz NHALTXQBLRJVMM-UHFFFAOYSA-N -1 0 323.353 -0.802 20 0 DBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCO)C1=O ZINC001605681940 1018646900 /nfs/dbraw/zinc/64/69/00/1018646900.db2.gz JFVUNFPFMRTHOD-DGCLKSJQSA-N -1 0 306.318 -0.088 20 0 DBADRM O=C([O-])C(=O)COC(=O)CCn1cnc2ccccc2c1=O ZINC001605689449 1018646936 /nfs/dbraw/zinc/64/69/36/1018646936.db2.gz FHUMYIBHSHIWGT-UHFFFAOYSA-N -1 0 304.258 -0.017 20 0 DBADRM CCOc1ccccc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001605715298 1018648559 /nfs/dbraw/zinc/64/85/59/1018648559.db2.gz ZYBZDAAPGNOBGJ-VIFPVBQESA-N -1 0 310.306 -0.024 20 0 DBADRM O=C([O-])C(=O)COC(=O)CNC(=O)c1ccc(F)cc1F ZINC001605698438 1018649715 /nfs/dbraw/zinc/64/97/15/1018649715.db2.gz CEXSSQXJGYHGDM-UHFFFAOYSA-N -1 0 301.201 -0.109 20 0 DBADRM Cc1cc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n(C)n1 ZINC001605703696 1018649926 /nfs/dbraw/zinc/64/99/26/1018649926.db2.gz IZIIXLAPZWURAJ-ZETCQYMHSA-N -1 0 302.302 -0.300 20 0 DBADRM CCS(=O)(=O)N1CCN(Cc2cc(C(=O)[O-])no2)CC1 ZINC001605726646 1018652263 /nfs/dbraw/zinc/65/22/63/1018652263.db2.gz ZTVHLJYVEWDBDY-UHFFFAOYSA-N -1 0 303.340 -0.160 20 0 DBADRM CCS(=O)(=O)NCCNc1ncnc(C(=O)[O-])c1OC ZINC001605727680 1018651828 /nfs/dbraw/zinc/65/18/28/1018651828.db2.gz JPLVBUIVZPMRML-UHFFFAOYSA-N -1 0 304.328 -0.465 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001605727441 1018652025 /nfs/dbraw/zinc/65/20/25/1018652025.db2.gz DQERGJJTRJRCKD-RGOKHQFPSA-N -1 0 304.368 -0.459 20 0 DBADRM CCS(=O)(=O)N1CCN(C[C@H]2[C@H](C(=O)[O-])C2(F)F)CC1 ZINC001605726185 1018652170 /nfs/dbraw/zinc/65/21/70/1018652170.db2.gz OLMFWENFMVRAEV-DTWKUNHWSA-N -1 0 312.338 -0.080 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)O[C@@H](COC)C(=O)[O-])C1 ZINC001605724998 1018652351 /nfs/dbraw/zinc/65/23/51/1018652351.db2.gz DEOBTNBCBWTXHA-UWVGGRQHSA-N -1 0 323.367 -0.309 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001605727443 1018653003 /nfs/dbraw/zinc/65/30/03/1018653003.db2.gz DSNVCXJESFTTKY-VHSXEESVSA-N -1 0 322.383 -0.546 20 0 DBADRM CCSCCCNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001605738609 1018655856 /nfs/dbraw/zinc/65/58/56/1018655856.db2.gz AVJIHTIBIHMJBB-UWVGGRQHSA-N -1 0 318.395 -0.460 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2cn(C[C@H]3CCOC3)nn2)CCOC1 ZINC001605736121 1018656732 /nfs/dbraw/zinc/65/67/32/1018656732.db2.gz FGXFXFYVYFLTQO-NOZJJQNGSA-N -1 0 310.310 -0.712 20 0 DBADRM CCS(=O)(=O)NCC(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001605728054 1018656977 /nfs/dbraw/zinc/65/69/77/1018656977.db2.gz TXZPKGWOCHXBMM-UHFFFAOYSA-N -1 0 322.383 -0.687 20 0 DBADRM CC[C@@H]1C[C@H]1NC(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001605753094 1018657716 /nfs/dbraw/zinc/65/77/16/1018657716.db2.gz RSOKBHKOEARDDY-NUPCCRGMSA-N -1 0 309.322 -0.267 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCc3c[nH]nc32)CCO1 ZINC001605749311 1018658017 /nfs/dbraw/zinc/65/80/17/1018658017.db2.gz IULZVICTOUFJFG-ZJUUUORDSA-N -1 0 322.321 -0.785 20 0 DBADRM CCc1[nH]c(C(=O)NCCS(N)(=O)=O)c(C)c1C(=O)[O-] ZINC001605767636 1018658672 /nfs/dbraw/zinc/65/86/72/1018658672.db2.gz HWJJHELFNOTOQV-UHFFFAOYSA-N -1 0 303.340 -0.398 20 0 DBADRM O=C([O-])C1CCN(C(=O)CNC(=O)c2ncccc2O)CC1 ZINC001605752675 1018658713 /nfs/dbraw/zinc/65/87/13/1018658713.db2.gz NKZUVGFVOPBBCQ-UHFFFAOYSA-N -1 0 307.306 -0.160 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@]23COC(=O)N2CCOC3)cn1 ZINC001605764692 1018659314 /nfs/dbraw/zinc/65/93/14/1018659314.db2.gz LQXXCPRNECVJOT-AWEZNQCLSA-N -1 0 321.289 -0.269 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 ZINC001605752583 1018659402 /nfs/dbraw/zinc/65/94/02/1018659402.db2.gz ISSITCGVYKHBAO-WPRPVWTQSA-N -1 0 306.322 -0.684 20 0 DBADRM O=C([O-])C1(CNC(=O)NC[C@]2(O)CCS(=O)(=O)C2)CCC1 ZINC001605764666 1018659799 /nfs/dbraw/zinc/65/97/99/1018659799.db2.gz KIBKFWTUXGQEMJ-GFCCVEGCSA-N -1 0 320.367 -0.910 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)C(=O)NCC(F)F ZINC001605750091 1018659821 /nfs/dbraw/zinc/65/98/21/1018659821.db2.gz BJANYHXADYVGNH-MRVPVSSYSA-N -1 0 301.249 -0.425 20 0 DBADRM CCc1c(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)[nH]c(C)c1C(N)=O ZINC001605777185 1018660839 /nfs/dbraw/zinc/66/08/39/1018660839.db2.gz FDSCOZBHHHEMRW-BDAKNGLRSA-N -1 0 323.349 -0.108 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2ccc(Cl)o2)CCO1 ZINC001605800466 1018661140 /nfs/dbraw/zinc/66/11/40/1018661140.db2.gz URJOWWMFLPMHPU-MRVPVSSYSA-N -1 0 316.697 -0.139 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001605794959 1018661936 /nfs/dbraw/zinc/66/19/36/1018661936.db2.gz PLHJXFKWQCLFJX-VIFPVBQESA-N -1 0 322.350 -0.195 20 0 DBADRM CCc1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001605785309 1018662555 /nfs/dbraw/zinc/66/25/55/1018662555.db2.gz SWWDMPMNAFFTCJ-GHMZBOCLSA-N -1 0 320.349 -0.024 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)NCCN2C(=O)CNC2=O)c1 ZINC001605780838 1018662720 /nfs/dbraw/zinc/66/27/20/1018662720.db2.gz YLDHNXMLHQNZHV-UHFFFAOYSA-N -1 0 307.266 -0.547 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)nn1C ZINC001605799413 1018663160 /nfs/dbraw/zinc/66/31/60/1018663160.db2.gz BUWYEJNLSCRFDP-PSASIEDQSA-N -1 0 324.337 -0.379 20 0 DBADRM CCc1c(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])cnn1CC ZINC001605778777 1018663691 /nfs/dbraw/zinc/66/36/91/1018663691.db2.gz XBPPGBKOLURGBY-JTQLQIEISA-N -1 0 306.326 -0.060 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1 ZINC001605861601 1018665042 /nfs/dbraw/zinc/66/50/42/1018665042.db2.gz UPAMBMLGOKIOEA-SNVBAGLBSA-N -1 0 322.321 -0.320 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)C1 ZINC001605837538 1018665236 /nfs/dbraw/zinc/66/52/36/1018665236.db2.gz QHHBTKIFVPBQAT-GAJNKVMBSA-N -1 0 319.317 -0.063 20 0 DBADRM CCc1n[nH]c(C(=O)N[C@H](CO)C(=O)[O-])c1Br ZINC001605842954 1018665351 /nfs/dbraw/zinc/66/53/51/1018665351.db2.gz YPSSCESRXAVHPW-RXMQYKEDSA-N -1 0 306.116 -0.090 20 0 DBADRM O=C([O-])C1(CNC(=O)NCc2nnc3c(=O)[nH]ccn23)CCC1 ZINC001605814855 1018665534 /nfs/dbraw/zinc/66/55/34/1018665534.db2.gz WTPZNDUWVKHTEL-UHFFFAOYSA-N -1 0 320.309 -0.528 20 0 DBADRM CCc1ccncc1NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001605836095 1018665760 /nfs/dbraw/zinc/66/57/60/1018665760.db2.gz BIWBQBSIFPWYKY-WDEREUQCSA-N -1 0 321.333 -0.124 20 0 DBADRM Cc1ccc(CN(C)C(=O)Cn2cnc(-c3nnn[n-]3)n2)nc1 ZINC001605843011 1018665853 /nfs/dbraw/zinc/66/58/53/1018665853.db2.gz FVQMSUNOEMTCSD-UHFFFAOYSA-N -1 0 313.325 -0.180 20 0 DBADRM CCc1nc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@@H]2C(=O)[O-])no1 ZINC001605850109 1018665988 /nfs/dbraw/zinc/66/59/88/1018665988.db2.gz BBLKZPXIXKAKAT-PXSXMVNOSA-N -1 0 320.349 -0.101 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cn1 ZINC001605861480 1018667504 /nfs/dbraw/zinc/66/75/04/1018667504.db2.gz QZKKBEWYRCCQAO-JZYVYDRUSA-N -1 0 304.306 -0.234 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)C(=O)Nc1cnns1 ZINC001605874356 1018668227 /nfs/dbraw/zinc/66/82/27/1018668227.db2.gz XKZFOYCQQZOMCO-QMMMGPOBSA-N -1 0 321.318 -0.316 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001605866236 1018668504 /nfs/dbraw/zinc/66/85/04/1018668504.db2.gz CALPXSWVYKZUNZ-RKDXNWHRSA-N -1 0 317.367 -0.561 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)COCc2cc[nH]c(=O)c2)CC1 ZINC001605885224 1018669950 /nfs/dbraw/zinc/66/99/50/1018669950.db2.gz BQRZHCITIANUGJ-UHFFFAOYSA-N -1 0 323.305 -0.941 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ccc3c(n2)OCCO3)CC1 ZINC001605885308 1018669988 /nfs/dbraw/zinc/66/99/88/1018669988.db2.gz DAOULRXLEIWJHE-UHFFFAOYSA-N -1 0 321.289 -0.778 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC001605871088 1018670116 /nfs/dbraw/zinc/67/01/16/1018670116.db2.gz ONICDOFUQFSCEY-SNVBAGLBSA-N -1 0 320.305 -0.497 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)COCc2cccnc2)CC1 ZINC001605885426 1018670267 /nfs/dbraw/zinc/67/02/67/1018670267.db2.gz HMEMUKJVZIWENA-UHFFFAOYSA-N -1 0 307.306 -0.646 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CCO[C@H](CN2CCOCC2)C1)C1CC1 ZINC001605892825 1018671222 /nfs/dbraw/zinc/67/12/22/1018671222.db2.gz HSVNXHQYMCHSRI-OLZOCXBDSA-N -1 0 312.366 -0.343 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cccc3nccn32)CC1 ZINC001605885612 1018671536 /nfs/dbraw/zinc/67/15/36/1018671536.db2.gz KCBVHNVSGSMVMD-UHFFFAOYSA-N -1 0 302.290 -0.297 20 0 DBADRM O=C([O-])[C@H](C(=O)NC[C@]1(CO)COCCN1)C1CCCC1 ZINC001605893397 1018671634 /nfs/dbraw/zinc/67/16/34/1018671634.db2.gz XKHBQIVTBXOQSX-FZMZJTMJSA-N -1 0 300.355 -0.656 20 0 DBADRM CCn1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001605915507 1018672390 /nfs/dbraw/zinc/67/23/90/1018672390.db2.gz PSINRGJNTXXBAC-NEPJUHHUSA-N -1 0 320.349 -0.094 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21)C1CC1 ZINC001605893057 1018672653 /nfs/dbraw/zinc/67/26/53/1018672653.db2.gz LSYQWQUEJZLXRP-MXWKQRLJSA-N -1 0 317.363 -0.488 20 0 DBADRM O=C([O-])[C@@H](C1CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001605900746 1018672747 /nfs/dbraw/zinc/67/27/47/1018672747.db2.gz QCSABKREUYBOQP-VXGBXAGGSA-N -1 0 302.396 -0.346 20 0 DBADRM Cc1ccc2c(n1)c(=O)c(-c1nnn[n-]1)cn2CCOCCO ZINC001605890088 1018672819 /nfs/dbraw/zinc/67/28/19/1018672819.db2.gz WDCAAXFUMIZAEP-UHFFFAOYSA-N -1 0 316.321 -0.106 20 0 DBADRM O=C([O-])C1(C(=O)N2CC[C@]23CCOC3)CCS(=O)(=O)CC1 ZINC001605912239 1018673150 /nfs/dbraw/zinc/67/31/50/1018673150.db2.gz KSFDVLZDZULQSX-GFCCVEGCSA-N -1 0 317.363 -0.343 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CCN3CCOC[C@]3(CO)C2)CC=CCC1 ZINC001605916188 1018674973 /nfs/dbraw/zinc/67/49/73/1018674973.db2.gz LJEIURMFDKCZSL-CVEARBPZSA-N -1 0 324.377 -0.297 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CCCO1 ZINC001605916048 1018675185 /nfs/dbraw/zinc/67/51/85/1018675185.db2.gz FECCYLUXUALEPG-WFASDCNBSA-N -1 0 312.366 -0.057 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CCN(C[C@H]3CCCO3)CC2)CCCO1 ZINC001605916045 1018675402 /nfs/dbraw/zinc/67/54/02/1018675402.db2.gz FECCYLUXUALEPG-DOMZBBRYSA-N -1 0 312.366 -0.057 20 0 DBADRM CCn1cc(CCN2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001605920318 1018675662 /nfs/dbraw/zinc/67/56/62/1018675662.db2.gz IYORGAUKUPKEQZ-CHWSQXEVSA-N -1 0 306.366 -0.033 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CCN(C[C@H]3CCCO3)CC2)CCCO1 ZINC001605916046 1018675693 /nfs/dbraw/zinc/67/56/93/1018675693.db2.gz FECCYLUXUALEPG-IUODEOHRSA-N -1 0 312.366 -0.057 20 0 DBADRM CCn1nc(C(=O)NC[C@@H]2[C@H](C(=O)[O-])C2(F)F)ccc1=O ZINC001605933733 1018677161 /nfs/dbraw/zinc/67/71/61/1018677161.db2.gz GBAZSODFLDPBMQ-HZGVNTEJSA-N -1 0 301.249 -0.041 20 0 DBADRM CCn1cccc(NC(=O)C(=O)NCCOCC(=O)[O-])c1=O ZINC001605927630 1018677387 /nfs/dbraw/zinc/67/73/87/1018677387.db2.gz MVQROVRPNOHKSN-UHFFFAOYSA-N -1 0 311.294 -0.976 20 0 DBADRM CCn1ccnc1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001605931198 1018677591 /nfs/dbraw/zinc/67/75/91/1018677591.db2.gz LAWNRLOAWYXARZ-SECBINFHSA-N -1 0 315.351 -0.383 20 0 DBADRM CCn1nc(C)c(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC001605940071 1018677630 /nfs/dbraw/zinc/67/76/30/1018677630.db2.gz UHHRECHMQAWTBV-JTQLQIEISA-N -1 0 311.342 -0.008 20 0 DBADRM CCn1ccnc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001605931455 1018677857 /nfs/dbraw/zinc/67/78/57/1018677857.db2.gz PLZWJZYTBLJDKJ-GHMZBOCLSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1nc(C)c(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)n1 ZINC001605935216 1018678112 /nfs/dbraw/zinc/67/81/12/1018678112.db2.gz YAKNXYHTTRSLHS-UHFFFAOYSA-N -1 0 305.298 -0.407 20 0 DBADRM CCn1nccc1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001605944902 1018679050 /nfs/dbraw/zinc/67/90/50/1018679050.db2.gz CQXXIYBFXNGSBU-VHSXEESVSA-N -1 0 306.322 -0.436 20 0 DBADRM CCn1nnc(C)c1CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001605945619 1018679133 /nfs/dbraw/zinc/67/91/33/1018679133.db2.gz ORJFCYDYLCJKRV-SNVBAGLBSA-N -1 0 323.353 -0.454 20 0 DBADRM CCn1nccc1S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001605946044 1018679279 /nfs/dbraw/zinc/67/92/79/1018679279.db2.gz QWKRNOGOXVBDFF-IUCAKERBSA-N -1 0 303.340 -0.641 20 0 DBADRM CCn1ncnc1CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001605946154 1018679575 /nfs/dbraw/zinc/67/95/75/1018679575.db2.gz YUJYRVQTYMBKQJ-ZDUSSCGKSA-N -1 0 309.326 -0.763 20 0 DBADRM CCn1ncc(C)c1NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001605941120 1018679694 /nfs/dbraw/zinc/67/96/94/1018679694.db2.gz NXJJQPXGBKXKHR-VHSXEESVSA-N -1 0 324.337 -0.556 20 0 DBADRM CCn1nccc1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001605946040 1018679727 /nfs/dbraw/zinc/67/97/27/1018679727.db2.gz QWKRNOGOXVBDFF-BDAKNGLRSA-N -1 0 303.340 -0.641 20 0 DBADRM CCn1nccc1S(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001605946298 1018679741 /nfs/dbraw/zinc/67/97/41/1018679741.db2.gz SAUPBQINFOEEMB-WCBMZHEXSA-N -1 0 303.340 -0.498 20 0 DBADRM CCn1nnc(C)c1CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001605945303 1018680262 /nfs/dbraw/zinc/68/02/62/1018680262.db2.gz IUJCWGNBCFZJGP-VXGBXAGGSA-N -1 0 321.381 -0.029 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001605947183 1018680532 /nfs/dbraw/zinc/68/05/32/1018680532.db2.gz YSJYYUZIEUTXFK-SCZZXKLOSA-N -1 0 309.326 -0.764 20 0 DBADRM COCCC(=O)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001501407780 1018681456 /nfs/dbraw/zinc/68/14/56/1018681456.db2.gz IRRJFQOXBODNLX-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)CCc2ccon2)C1 ZINC001605955979 1018681715 /nfs/dbraw/zinc/68/17/15/1018681715.db2.gz CYJZYTLLWIYHMN-VXGBXAGGSA-N -1 0 321.333 -0.003 20 0 DBADRM CN(C(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605951973 1018681951 /nfs/dbraw/zinc/68/19/51/1018681951.db2.gz NKZHGQPPJFIDGD-ATZCPNFKSA-N -1 0 323.349 -0.813 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cn(C)cn2)C1 ZINC001605957826 1018682238 /nfs/dbraw/zinc/68/22/38/1018682238.db2.gz UZNGXLOCEKJMCZ-VHSXEESVSA-N -1 0 306.322 -0.576 20 0 DBADRM CN(C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F)[C@H]1CCNC1=O ZINC001605949887 1018682307 /nfs/dbraw/zinc/68/23/07/1018682307.db2.gz KLHLKRJMZSOUBZ-JTQLQIEISA-N -1 0 323.280 -0.191 20 0 DBADRM CN(C(=O)C(=O)NCc1ccc[nH]c1=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605951783 1018682337 /nfs/dbraw/zinc/68/23/37/1018682337.db2.gz YBYFHOXNPBFCCJ-AOOOYVTPSA-N -1 0 307.306 -0.275 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001605955651 1018682536 /nfs/dbraw/zinc/68/25/36/1018682536.db2.gz BHSXEDWPXDZDLD-IUCAKERBSA-N -1 0 322.321 -0.871 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)Cc2ncc[nH]2)C1 ZINC001605956008 1018682908 /nfs/dbraw/zinc/68/29/08/1018682908.db2.gz DPNUDRJZWQWVNZ-UWVGGRQHSA-N -1 0 306.322 -0.658 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)CCc2ccon2)C1 ZINC001605955976 1018683078 /nfs/dbraw/zinc/68/30/78/1018683078.db2.gz CYJZYTLLWIYHMN-NWDGAFQWSA-N -1 0 321.333 -0.003 20 0 DBADRM CN(C(=O)NC[C@H](F)C(=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001605971260 1018684206 /nfs/dbraw/zinc/68/42/06/1018684206.db2.gz MKEWGSSEVAIEBR-SFYZADRCSA-N -1 0 311.335 -0.916 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(Cc2nnnn2C2CC2)C1 ZINC001605957872 1018684846 /nfs/dbraw/zinc/68/48/46/1018684846.db2.gz WKOMSHPPYVPLLM-GHMZBOCLSA-N -1 0 320.353 -0.629 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)C1 ZINC001605967084 1018684962 /nfs/dbraw/zinc/68/49/62/1018684962.db2.gz FOUZATWHKHIQDO-NXEZZACHSA-N -1 0 316.335 -0.749 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@H]2Cc3cccnc3NC2=O)C1 ZINC001605968228 1018685125 /nfs/dbraw/zinc/68/51/25/1018685125.db2.gz UFYOUZJAYBXVSA-IONNQARKSA-N -1 0 304.262 -0.710 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NC[C@@H](CO)Cc2cccnc2)C1 ZINC001605967590 1018685428 /nfs/dbraw/zinc/68/54/28/1018685428.db2.gz JTUOTWXVOOHFAZ-CMPLNLGQSA-N -1 0 307.306 -0.422 20 0 DBADRM CN(C(=O)CSCC(N)=O)c1nc(CC(=O)[O-])cs1 ZINC001605964709 1018685798 /nfs/dbraw/zinc/68/57/98/1018685798.db2.gz JFQMLLNWKRNKRW-UHFFFAOYSA-N -1 0 303.365 -0.049 20 0 DBADRM CN(C(=O)CCn1cccn1)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001605960751 1018685962 /nfs/dbraw/zinc/68/59/62/1018685962.db2.gz HJGHNSATOVOUTA-NWDGAFQWSA-N -1 0 320.349 -0.337 20 0 DBADRM CN(C(=O)CN1C(=O)CNC1=O)[C@@H](C(=O)[O-])c1ccccc1 ZINC001605961230 1018685977 /nfs/dbraw/zinc/68/59/77/1018685977.db2.gz WNSRLCBBKXGQTF-GFCCVEGCSA-N -1 0 305.290 -0.178 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001605974763 1018687081 /nfs/dbraw/zinc/68/70/81/1018687081.db2.gz WDDLXKCDBJFJBU-WUWHUORYSA-N -1 0 322.361 -0.197 20 0 DBADRM CN(C(=O)c1c[nH]c(=O)n1C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605977934 1018688076 /nfs/dbraw/zinc/68/80/76/1018688076.db2.gz WQSMISWYXPNCJU-IUCAKERBSA-N -1 0 322.321 -0.871 20 0 DBADRM CN(C)C(=O)/C=C/C(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001605993309 1018690233 /nfs/dbraw/zinc/69/02/33/1018690233.db2.gz GNUQFXFXHBQVSE-XNPJLODASA-N -1 0 300.311 -0.647 20 0 DBADRM O=C([O-])[C@@H]1CCCN1Cc1cn(C[C@H](O)Cn2cccn2)nn1 ZINC001605999682 1018690988 /nfs/dbraw/zinc/69/09/88/1018690988.db2.gz WZLGKYBLQXKHSM-OLZOCXBDSA-N -1 0 320.353 -0.415 20 0 DBADRM Cc1coc(Sc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)n1 ZINC001605995876 1018691223 /nfs/dbraw/zinc/69/12/23/1018691223.db2.gz GBUKHWWEHBQRCX-UHFFFAOYSA-N -1 0 321.322 -0.288 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](O)C(F)(F)C2)C1 ZINC001606000339 1018691620 /nfs/dbraw/zinc/69/16/20/1018691620.db2.gz ZHPVRCMIOVIMMW-JGVFFNPUSA-N -1 0 306.265 -0.852 20 0 DBADRM CN(C)C(=O)CN(C)S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001605997127 1018691996 /nfs/dbraw/zinc/69/19/96/1018691996.db2.gz TUYAVDDJUNEHMY-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001606001980 1018693634 /nfs/dbraw/zinc/69/36/34/1018693634.db2.gz KBNTXNVQYDAQOP-IUCAKERBSA-N -1 0 304.322 -0.146 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)Nc2nn(C)cc2C(=O)[O-])CC1 ZINC001606004339 1018694403 /nfs/dbraw/zinc/69/44/03/1018694403.db2.gz MDPPWXMPDVPOSZ-UHFFFAOYSA-N -1 0 324.341 -0.051 20 0 DBADRM CN(C)[C@H](C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)c1cncn1C ZINC001606008488 1018694973 /nfs/dbraw/zinc/69/49/73/1018694973.db2.gz ZEJANVUEXSQTQP-UMNHJUIQSA-N -1 0 310.354 -0.683 20 0 DBADRM Cc1nc(C(=O)NCCc2nc(=O)o[n-]2)ccc1-c1nn[nH]n1 ZINC001606029737 1018701565 /nfs/dbraw/zinc/70/15/65/1018701565.db2.gz UBHBBWONXYDYIO-UHFFFAOYSA-N -1 0 316.281 -0.781 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001606038567 1018702955 /nfs/dbraw/zinc/70/29/55/1018702955.db2.gz DBKZTFQHZKITSL-UHFFFAOYSA-N -1 0 321.399 -0.466 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2nnnc2-c2ccccc2)CCO1 ZINC001606035224 1018703236 /nfs/dbraw/zinc/70/32/36/1018703236.db2.gz CJOXHXLUXCCLIE-NSHDSACASA-N -1 0 317.305 -0.348 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001606037985 1018703543 /nfs/dbraw/zinc/70/35/43/1018703543.db2.gz RXGFUGUPQYYMFL-UHFFFAOYSA-N -1 0 319.339 -0.385 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@H](CF)C(=O)[O-])c1 ZINC001606038539 1018704165 /nfs/dbraw/zinc/70/41/65/1018704165.db2.gz BKMFTQHHNCPCLC-MRVPVSSYSA-N -1 0 307.303 -0.583 20 0 DBADRM Cc1nc(C)c(C(=O)Cn2cncc(-c3nnn[n-]3)c2=O)o1 ZINC001606036066 1018704303 /nfs/dbraw/zinc/70/43/03/1018704303.db2.gz HTDFUUQXXCWICA-UHFFFAOYSA-N -1 0 301.266 -0.089 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001606045374 1018705693 /nfs/dbraw/zinc/70/56/93/1018705693.db2.gz JNMPZESDZDKPHK-JZYVYDRUSA-N -1 0 314.367 -0.700 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001606038856 1018705893 /nfs/dbraw/zinc/70/58/93/1018705893.db2.gz JXEMZVQGEKKVHG-UHFFFAOYSA-N -1 0 316.339 -0.957 20 0 DBADRM CN(C)S(=O)(=O)CCS(=O)(=O)N(C)CCCC(=O)[O-] ZINC001606039063 1018706639 /nfs/dbraw/zinc/70/66/39/1018706639.db2.gz KCGYINHFUDFJRS-UHFFFAOYSA-N -1 0 316.401 -0.996 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cncc(O)c1 ZINC001606056965 1018708983 /nfs/dbraw/zinc/70/89/83/1018708983.db2.gz HRPYZXQRYGOHFX-VIFPVBQESA-N -1 0 300.292 -0.889 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001606075567 1018710426 /nfs/dbraw/zinc/71/04/26/1018710426.db2.gz GJYYQJAKTKVQBM-NSHDSACASA-N -1 0 311.338 -0.340 20 0 DBADRM CN(C)c1noc(CNC(=O)Nc2ccc(C(=O)[O-])nn2)n1 ZINC001606070445 1018710504 /nfs/dbraw/zinc/71/05/04/1018710504.db2.gz SHZMGLRXRWLIEO-UHFFFAOYSA-N -1 0 307.270 -0.055 20 0 DBADRM CN(C)c1ncc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)cn1 ZINC001606068263 1018710601 /nfs/dbraw/zinc/71/06/01/1018710601.db2.gz HXCTZJTXDNBWLS-UHFFFAOYSA-N -1 0 319.321 -0.443 20 0 DBADRM CN([C@@H]1CCNC1=O)S(=O)(=O)c1scnc1C(=O)[O-] ZINC001606075736 1018711211 /nfs/dbraw/zinc/71/12/11/1018711211.db2.gz CSYHJDLRQHNEBW-RXMQYKEDSA-N -1 0 305.337 -0.650 20 0 DBADRM O=C([O-])CC1(C(=O)N[C@@H]2CCc3nnnn3CC2)CCOCC1 ZINC001606072422 1018711226 /nfs/dbraw/zinc/71/12/26/1018711226.db2.gz FQQLPMKAFGAGDW-SNVBAGLBSA-N -1 0 323.353 -0.234 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001606070282 1018711243 /nfs/dbraw/zinc/71/12/43/1018711243.db2.gz OUSMTONTQHSCCH-SECBINFHSA-N -1 0 319.321 -0.229 20 0 DBADRM CN(C)c1ncc(CNC(=O)Cn2ccc(C(=O)[O-])n2)n1C ZINC001606068325 1018711295 /nfs/dbraw/zinc/71/12/95/1018711295.db2.gz JYIZJDIMTHLWNW-UHFFFAOYSA-N -1 0 306.326 -0.303 20 0 DBADRM CN(CC(=O)N1CCOCC1)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001606075416 1018712171 /nfs/dbraw/zinc/71/21/71/1018712171.db2.gz AKTQWWRWHYOMIH-UHFFFAOYSA-N -1 0 320.367 -0.886 20 0 DBADRM CN(C)c1noc(CCC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001606070163 1018712775 /nfs/dbraw/zinc/71/27/75/1018712775.db2.gz IXGQFEFVLJTAFQ-DTWKUNHWSA-N -1 0 312.326 -0.638 20 0 DBADRM CN(C)c1noc(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC001606070241 1018712902 /nfs/dbraw/zinc/71/29/02/1018712902.db2.gz MNHMLRZVEHYOIX-QMMMGPOBSA-N -1 0 313.314 -0.479 20 0 DBADRM CN(CC(C)(CO)CO)S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001606090540 1018713536 /nfs/dbraw/zinc/71/35/36/1018713536.db2.gz SHJJWIQJZYASDF-UHFFFAOYSA-N -1 0 323.411 -0.116 20 0 DBADRM CN(CC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-])C(=O)C1CC1 ZINC001606080237 1018715235 /nfs/dbraw/zinc/71/52/35/1018715235.db2.gz UJEBHQRWHDALLE-JTQLQIEISA-N -1 0 314.338 -0.423 20 0 DBADRM CN(C[C@@H](O)C1(O)CCOCC1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001606094374 1018716421 /nfs/dbraw/zinc/71/64/21/1018716421.db2.gz VBFLLZNSGYXAQY-QWHCGFSZSA-N -1 0 317.382 -0.157 20 0 DBADRM CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001606099261 1018716793 /nfs/dbraw/zinc/71/67/93/1018716793.db2.gz ASFGJEYJBBZTIB-TUAOUCFPSA-N -1 0 310.350 -0.105 20 0 DBADRM CN(CC1CCCC1)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001606099558 1018716843 /nfs/dbraw/zinc/71/68/43/1018716843.db2.gz IYITZCGDHDTMAQ-NWDGAFQWSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001606094090 1018717356 /nfs/dbraw/zinc/71/73/56/1018717356.db2.gz PJZWXVYPDFPUKW-NEPJUHHUSA-N -1 0 312.366 -0.167 20 0 DBADRM CN(Cc1nnnn1C)C1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001606179273 1018718002 /nfs/dbraw/zinc/71/80/02/1018718002.db2.gz KJIYZWZRDRELRK-MNOVXSKESA-N -1 0 322.369 -0.646 20 0 DBADRM CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)NCCCCC(=O)[O-] ZINC001606099505 1018718340 /nfs/dbraw/zinc/71/83/40/1018718340.db2.gz GZSNLTMSCGITDT-QWRGUYRKSA-N -1 0 300.355 -0.023 20 0 DBADRM CN(c1ncc(C(=O)[O-])cn1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001606187985 1018718331 /nfs/dbraw/zinc/71/83/31/1018718331.db2.gz XWWSJCGDKMHTAH-VIFPVBQESA-N -1 0 307.310 -0.913 20 0 DBADRM CN(C[C@@H]1CCCN(C(=O)C(N)=O)C1)c1ncc(C(=O)[O-])cn1 ZINC001606101098 1018718826 /nfs/dbraw/zinc/71/88/26/1018718826.db2.gz RCVBNIVAVREJPF-VIFPVBQESA-N -1 0 321.337 -0.665 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001606096292 1018719895 /nfs/dbraw/zinc/71/98/95/1018719895.db2.gz HNVQZKJKBJXCNH-UHFFFAOYSA-N -1 0 315.355 -0.580 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001606178528 1018719966 /nfs/dbraw/zinc/71/99/66/1018719966.db2.gz JPYWHKTYIMGHFM-BXKDBHETSA-N -1 0 323.353 -0.145 20 0 DBADRM CN1C(=O)C(=O)N(CN2CCSC[C@H](C(=O)[O-])C2)C1=O ZINC001606186553 1018720217 /nfs/dbraw/zinc/72/02/17/1018720217.db2.gz MSVGNTSSHGUSJD-SSDOTTSWSA-N -1 0 301.324 -0.886 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC001606105631 1018721110 /nfs/dbraw/zinc/72/11/10/1018721110.db2.gz MDNWYXIOXSEEAY-SNVBAGLBSA-N -1 0 319.383 -0.762 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)NCCC2CS(=O)(=O)C2)CO1 ZINC001606108052 1018721468 /nfs/dbraw/zinc/72/14/68/1018721468.db2.gz PDBTVLYZGUOINI-MNOVXSKESA-N -1 0 319.379 -0.193 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001606191780 1018721531 /nfs/dbraw/zinc/72/15/31/1018721531.db2.gz PPOSKVMEPBUONR-IZZDOVSWSA-N -1 0 315.351 -0.870 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H](CCO)C1CCOCC1 ZINC001606105346 1018721745 /nfs/dbraw/zinc/72/17/45/1018721745.db2.gz HGVURIBBTVVVPD-LLVKDONJSA-N -1 0 324.399 -0.595 20 0 DBADRM CN(C[C@H](O)c1cccnc1)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001606109012 1018722427 /nfs/dbraw/zinc/72/24/27/1018722427.db2.gz VHKDAOWQVWOEAJ-NSHDSACASA-N -1 0 305.294 -0.437 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC001606190373 1018722750 /nfs/dbraw/zinc/72/27/50/1018722750.db2.gz SOYSYHXTTUOBPK-ZJUUUORDSA-N -1 0 311.338 -0.906 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@@H](CO)Cc1ccoc1 ZINC001606105370 1018723331 /nfs/dbraw/zinc/72/33/31/1018723331.db2.gz IFBMFJABNTXVNW-NSHDSACASA-N -1 0 320.367 -0.329 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)c3ccc(C(=O)[O-])cn3)C[C@H]2C1=O ZINC001606194214 1018722985 /nfs/dbraw/zinc/72/29/85/1018722985.db2.gz MEBVOSDHRVRWTK-DTORHVGOSA-N -1 0 303.274 -0.533 20 0 DBADRM CN1C[C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c2ccccc2C1=O ZINC001606197444 1018723184 /nfs/dbraw/zinc/72/31/84/1018723184.db2.gz FHVRBMDCQPLYNJ-WQAKAFBOSA-N -1 0 318.329 -0.098 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCc1nnc(-c2ccccc2)[nH]1 ZINC001606190241 1018723258 /nfs/dbraw/zinc/72/32/58/1018723258.db2.gz GVMDWKDBZDUKEA-UHFFFAOYSA-N -1 0 317.305 -0.321 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)C(=O)c2ccc(O)cc2)CC1=O ZINC001606197063 1018723513 /nfs/dbraw/zinc/72/35/13/1018723513.db2.gz AIVJGRHJZSUIKA-JTQLQIEISA-N -1 0 306.274 -0.671 20 0 DBADRM Cc1nn(CCN2CCOC2=O)c(=O)c(-c2nnn[n-]2)c1C ZINC001606114578 1018723791 /nfs/dbraw/zinc/72/37/91/1018723791.db2.gz WMIFSQZXWJTCHX-UHFFFAOYSA-N -1 0 305.298 -0.508 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)Cn1cncn1 ZINC001606121071 1018723992 /nfs/dbraw/zinc/72/39/92/1018723992.db2.gz MKTVHTCFYIMJQY-WDEREUQCSA-N -1 0 323.353 -0.694 20 0 DBADRM Cc1nn([C@@H]2CCC(=O)NC2=O)c(=O)c(-c2nnn[n-]2)c1C ZINC001606114931 1018724122 /nfs/dbraw/zinc/72/41/22/1018724122.db2.gz BIVCIFRFYYMJKV-SSDOTTSWSA-N -1 0 303.282 -0.982 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ccccc1CO ZINC001606110629 1018724204 /nfs/dbraw/zinc/72/42/04/1018724204.db2.gz VOUYQLJQYSTGTC-UHFFFAOYSA-N -1 0 302.352 -0.080 20 0 DBADRM CN1C(=O)COc2cccc(NC(=O)NC[C@@H](O)CC(=O)[O-])c21 ZINC001606192152 1018724003 /nfs/dbraw/zinc/72/40/03/1018724003.db2.gz ZJRPGNKJAHKETI-QMMMGPOBSA-N -1 0 323.305 -0.001 20 0 DBADRM Cc1nn(C)cc1NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001606115228 1018724924 /nfs/dbraw/zinc/72/49/24/1018724924.db2.gz OPMZZURPWBTCII-SSDOTTSWSA-N -1 0 302.302 -0.300 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-])CC2 ZINC001606198024 1018724960 /nfs/dbraw/zinc/72/49/60/1018724960.db2.gz QNVDXKMOIFQNFX-SKDRFNHKSA-N -1 0 320.349 -0.721 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)CCC(=O)c2ccccn2)CC1=O ZINC001606198719 1018726143 /nfs/dbraw/zinc/72/61/43/1018726143.db2.gz YXUYPVVLGVKRHW-LLVKDONJSA-N -1 0 319.317 -0.202 20 0 DBADRM Cc1nn(CCCS(C)(=O)=O)c(=O)c(-c2nnn[n-]2)c1C ZINC001606114533 1018726439 /nfs/dbraw/zinc/72/64/39/1018726439.db2.gz ULOVUXPIVZDQQN-UHFFFAOYSA-N -1 0 312.355 -0.525 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3cc[nH]c3n2)CC1=O ZINC001606199515 1018726613 /nfs/dbraw/zinc/72/66/13/1018726613.db2.gz GVUFFSIMLPWWGF-JTQLQIEISA-N -1 0 302.290 -0.070 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-])CC2 ZINC001606198021 1018727127 /nfs/dbraw/zinc/72/71/27/1018727127.db2.gz QNVDXKMOIFQNFX-BXKDBHETSA-N -1 0 320.349 -0.721 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ncnn1C(C)(C)C ZINC001606110593 1018727936 /nfs/dbraw/zinc/72/79/36/1018727936.db2.gz SHNGYJXOPHUAQG-UHFFFAOYSA-N -1 0 319.387 -0.226 20 0 DBADRM CN(CCC(N)=O)C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001606111115 1018728062 /nfs/dbraw/zinc/72/80/62/1018728062.db2.gz MALRNIYBGBHDKG-OPASDULOSA-N -1 0 313.354 -0.084 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)CN1C[C@@H](C(=O)[O-])CC1=O ZINC001606119439 1018728415 /nfs/dbraw/zinc/72/84/15/1018728415.db2.gz ZZMXADGWSYDCQC-UWVGGRQHSA-N -1 0 304.368 -0.757 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCC(C)(C)C)CC1=O ZINC001606204765 1018728652 /nfs/dbraw/zinc/72/86/52/1018728652.db2.gz WOUAQDMTNFVKCJ-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(CC(=O)NC(C2CC2)C2CC2)CC1=O ZINC001606204931 1018728689 /nfs/dbraw/zinc/72/86/89/1018728689.db2.gz YAUCZBJIVLXJTO-NSHDSACASA-N -1 0 309.366 -0.482 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)N2CCC(CC(=O)[O-])CC2)CC1=O ZINC001606202997 1018729857 /nfs/dbraw/zinc/72/98/57/1018729857.db2.gz OBJAHINWSNIGFY-SNVBAGLBSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1C[C@@H](NC(=O)N2CCSC[C@H](C(=O)[O-])C2)CC1=O ZINC001606201928 1018729875 /nfs/dbraw/zinc/72/98/75/1018729875.db2.gz CWKQLAWYHNPNPA-BDAKNGLRSA-N -1 0 301.368 -0.324 20 0 DBADRM CN1C[C@@H](NC(=O)Cn2cccc(C(=O)[O-])c2=O)CCC1=O ZINC001606202989 1018730134 /nfs/dbraw/zinc/73/01/34/1018730134.db2.gz NSEXWDIVORFWFU-VIFPVBQESA-N -1 0 307.306 -0.717 20 0 DBADRM CN(CCCCO)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001606121467 1018730170 /nfs/dbraw/zinc/73/01/70/1018730170.db2.gz WUEAHLNKLRTFTJ-NHYWBVRUSA-N -1 0 312.366 -0.069 20 0 DBADRM CN(CCNC(=O)CN1CCCC1=O)c1ncc(C(=O)[O-])cn1 ZINC001606129612 1018730634 /nfs/dbraw/zinc/73/06/34/1018730634.db2.gz OWBRSAQPOFQPCJ-UHFFFAOYSA-N -1 0 321.337 -0.650 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(S(=O)(=O)CCC(C)(C)C)CC1=O ZINC001606204764 1018730550 /nfs/dbraw/zinc/73/05/50/1018730550.db2.gz WOUAQDMTNFVKCJ-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM CN(CCCO)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001606122594 1018730908 /nfs/dbraw/zinc/73/09/08/1018730908.db2.gz ROAJHTMCWUVNSG-UHFFFAOYSA-N -1 0 310.306 -0.071 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C[C@H]2CCC3(CCOCC3)O2)CC1=O ZINC001606204477 1018731318 /nfs/dbraw/zinc/73/13/18/1018731318.db2.gz UAYPWGOSLBLRDJ-NEPJUHHUSA-N -1 0 312.366 -0.058 20 0 DBADRM CN1C[C@H](OC(=O)CCCN2C(=O)CCC2=O)C[C@H]1C(=O)[O-] ZINC001606204834 1018731728 /nfs/dbraw/zinc/73/17/28/1018731728.db2.gz IZNLAQJJNVUIGJ-ZJUUUORDSA-N -1 0 312.322 -0.384 20 0 DBADRM CN(CCN(C)c1ncc(C(=O)[O-])cn1)C(=O)[C@@H]1CCNC1=O ZINC001606126559 1018732838 /nfs/dbraw/zinc/73/28/38/1018732838.db2.gz HXKQSXLIXONYNP-SNVBAGLBSA-N -1 0 321.337 -0.795 20 0 DBADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C(=O)N2CCNC(=O)C2)C1 ZINC001606123155 1018732970 /nfs/dbraw/zinc/73/29/70/1018732970.db2.gz REDASZQJJJKLKO-JTQLQIEISA-N -1 0 311.338 -0.952 20 0 DBADRM CN(CCCNC(=O)c1ncn(C)n1)c1ncc(C(=O)[O-])cn1 ZINC001606122184 1018733531 /nfs/dbraw/zinc/73/35/31/1018733531.db2.gz KUVURUQDIFRIPC-UHFFFAOYSA-N -1 0 319.325 -0.440 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)c1nccnc1N ZINC001606133357 1018734998 /nfs/dbraw/zinc/73/49/98/1018734998.db2.gz RXMORYYTLZDBJM-UHFFFAOYSA-N -1 0 317.309 -0.269 20 0 DBADRM Cn1c(=O)[nH]c(NCCc2ccns2)c(-c2nnn[n-]2)c1=O ZINC001606205740 1018735851 /nfs/dbraw/zinc/73/58/51/1018735851.db2.gz JBIKUKBDSMHKLZ-UHFFFAOYSA-N -1 0 320.338 -0.223 20 0 DBADRM CN(CCNC(=O)NCCn1cc(C(=O)[O-])nn1)CC(F)F ZINC001606129974 1018735841 /nfs/dbraw/zinc/73/58/41/1018735841.db2.gz WWMGSFPXBSZKMM-UHFFFAOYSA-N -1 0 320.300 -0.528 20 0 DBADRM CN(CCNC(=O)c1ccncn1)c1ccnc(C(=O)[O-])n1 ZINC001606133001 1018736184 /nfs/dbraw/zinc/73/61/84/1018736184.db2.gz IGESIKMMSZKKIQ-UHFFFAOYSA-N -1 0 302.294 -0.169 20 0 DBADRM O=C([O-])CCCC(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001606137739 1018737320 /nfs/dbraw/zinc/73/73/20/1018737320.db2.gz COPWRDDQJFBFHT-UHFFFAOYSA-N -1 0 307.368 -0.049 20 0 DBADRM CN(CCNc1ccc2nnnn2n1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001606133630 1018737560 /nfs/dbraw/zinc/73/75/60/1018737560.db2.gz XFZJSBYGPQBTDB-JGVFFNPUSA-N -1 0 305.298 -0.890 20 0 DBADRM CN(CCNc1ccc2nnnn2n1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001606133634 1018737725 /nfs/dbraw/zinc/73/77/25/1018737725.db2.gz XFZJSBYGPQBTDB-YUMQZZPRSA-N -1 0 305.298 -0.890 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)C1=CCOCC1 ZINC001606132928 1018738148 /nfs/dbraw/zinc/73/81/48/1018738148.db2.gz JGCWVMGUQUYYBG-UHFFFAOYSA-N -1 0 306.322 -0.186 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)c1c[nH]c(=O)n1C ZINC001606133080 1018738216 /nfs/dbraw/zinc/73/82/16/1018738216.db2.gz NNYBJKRYNGIDNQ-UHFFFAOYSA-N -1 0 320.309 -0.202 20 0 DBADRM CN(CCO)CCNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001606134277 1018738740 /nfs/dbraw/zinc/73/87/40/1018738740.db2.gz UMUAPDQICVKRBR-UHFFFAOYSA-N -1 0 316.379 -0.272 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001606138105 1018739006 /nfs/dbraw/zinc/73/90/06/1018739006.db2.gz HDHCSONDHMVBAX-VHSXEESVSA-N -1 0 307.368 -0.241 20 0 DBADRM O=C([O-])CN(C(=O)[C@H]1CCc2nncn2C1)C1CCOCC1 ZINC001606216521 1018739795 /nfs/dbraw/zinc/73/97/95/1018739795.db2.gz ZXXNRJZIRXNFCH-JTQLQIEISA-N -1 0 308.338 -0.067 20 0 DBADRM CN1CC[C@@H](C(=O)OCCCc2cn(CC(=O)[O-])nn2)CC1=O ZINC001606213168 1018739967 /nfs/dbraw/zinc/73/99/67/1018739967.db2.gz YTGLFVRDVAZXNU-SNVBAGLBSA-N -1 0 324.337 -0.293 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001606138902 1018741009 /nfs/dbraw/zinc/74/10/09/1018741009.db2.gz NGRAUAWMUVVOKE-UHFFFAOYSA-N -1 0 300.336 -0.326 20 0 DBADRM CN1CC[C@@H](NC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001606216081 1018740812 /nfs/dbraw/zinc/74/08/12/1018740812.db2.gz OLEYNJXQYANDNF-RKDXNWHRSA-N -1 0 322.325 -0.837 20 0 DBADRM CN(C[C@H](O)CO)C(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001606143360 1018741740 /nfs/dbraw/zinc/74/17/40/1018741740.db2.gz VIFQJGCRPCZFMP-ZETCQYMHSA-N -1 0 314.269 -0.726 20 0 DBADRM CN([C@@H]1CCN(C)C1=O)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001606214437 1018743694 /nfs/dbraw/zinc/74/36/94/1018743694.db2.gz FVFIRZFNHMXIKR-SECBINFHSA-N -1 0 304.368 -0.266 20 0 DBADRM CN(CCc1ncon1)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606141738 1018743799 /nfs/dbraw/zinc/74/37/99/1018743799.db2.gz SQTDJTFSQSXXQS-UHFFFAOYSA-N -1 0 301.284 -0.646 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@H]2C(C)(C)C)n(C)c1=O ZINC001606217135 1018745766 /nfs/dbraw/zinc/74/57/66/1018745766.db2.gz CCZJDFIWOJWXCU-QMMMGPOBSA-N -1 0 319.369 -0.111 20 0 DBADRM CN(Cc1ccco1)C(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001606170941 1018746031 /nfs/dbraw/zinc/74/60/31/1018746031.db2.gz JYVOAFWQYIHIPQ-MWLCHTKSSA-N -1 0 310.306 -0.156 20 0 DBADRM O=C([O-])CN(C(=O)CS(=O)(=O)C1CC1)C1CCOCC1 ZINC001606220199 1018748263 /nfs/dbraw/zinc/74/82/63/1018748263.db2.gz YALGRDLPOWSUOJ-UHFFFAOYSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])CN(C(=O)c1cn(C(F)(F)CO)nn1)C1CCC1 ZINC001606221073 1018749084 /nfs/dbraw/zinc/74/90/84/1018749084.db2.gz SVMRDQJQEOZLLF-UHFFFAOYSA-N -1 0 304.253 -0.101 20 0 DBADRM CN1CCC[C@@H](NS(=O)(=O)c2cncc(C(=O)[O-])c2)C1=O ZINC001606227343 1018751667 /nfs/dbraw/zinc/75/16/67/1018751667.db2.gz OEXKSZNABRLIFC-SNVBAGLBSA-N -1 0 313.335 -0.321 20 0 DBADRM CN1CCCC[C@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001606224594 1018752466 /nfs/dbraw/zinc/75/24/66/1018752466.db2.gz LNQGMDMKCRREIX-OUJBWJOFSA-N -1 0 318.395 -0.525 20 0 DBADRM CN1CCC[C@H](NS(=O)(=O)c2cccnc2C(=O)[O-])C1=O ZINC001606228020 1018753833 /nfs/dbraw/zinc/75/38/33/1018753833.db2.gz XHVOOISKKISIIK-QMMMGPOBSA-N -1 0 313.335 -0.321 20 0 DBADRM CN1CCN(C(=O)C[C@@H]2C=CS(=O)(=O)C2)C[C@H](C(=O)[O-])C1 ZINC001606228396 1018754348 /nfs/dbraw/zinc/75/43/48/1018754348.db2.gz HMSWEOSQZMTYBD-WDEREUQCSA-N -1 0 316.379 -0.590 20 0 DBADRM CN1CCC[C@@H](C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])C1=O ZINC001606223810 1018754696 /nfs/dbraw/zinc/75/46/96/1018754696.db2.gz UWHDUHYRBMADNR-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1=O ZINC001606252115 1018779806 /nfs/dbraw/zinc/77/98/06/1018779806.db2.gz FDDQFSMCQBLNPP-LPEHRKFASA-N -1 0 304.368 -0.220 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCN(c3ccccn3)CC2)C1=O ZINC001606231353 1018757263 /nfs/dbraw/zinc/75/72/63/1018757263.db2.gz IEFLXPHDZOJMQH-LBPRGKRZSA-N -1 0 304.350 -0.111 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC[C@@H](Nc3ncccn3)C2)C1=O ZINC001606231496 1018759021 /nfs/dbraw/zinc/75/90/21/1018759021.db2.gz JSQMPRHBRCZTLR-MNOVXSKESA-N -1 0 305.338 -0.352 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)C1=O ZINC001606232713 1018766256 /nfs/dbraw/zinc/76/62/56/1018766256.db2.gz XQMGMQIPFUUHJD-DCAQKATOSA-N -1 0 316.379 -0.677 20 0 DBADRM CN1CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)S1(=O)=O ZINC001606239190 1018771510 /nfs/dbraw/zinc/77/15/10/1018771510.db2.gz KIYLMNIHJHBFIV-UHFFFAOYSA-N -1 0 319.383 -0.618 20 0 DBADRM CN1CCN(CC(=O)NC[C@H](C(=O)[O-])c2ccccc2)CC1=O ZINC001606239290 1018772816 /nfs/dbraw/zinc/77/28/16/1018772816.db2.gz MPTGJSWTDDOMKZ-ZDUSSCGKSA-N -1 0 319.361 -0.255 20 0 DBADRM CN1CCO[C@@H](C(=O)N2CCSC[C@H]2CC(=O)[O-])C1=O ZINC001606249137 1018775674 /nfs/dbraw/zinc/77/56/74/1018775674.db2.gz GPJHWLZUYMDONM-PSASIEDQSA-N -1 0 302.352 -0.738 20 0 DBADRM CN1CCOC[C@H]1CNS(=O)(=O)CCCCCC(=O)[O-] ZINC001606248996 1018776450 /nfs/dbraw/zinc/77/64/50/1018776450.db2.gz FLLVGKNFEHEGRP-LLVKDONJSA-N -1 0 308.400 -0.119 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCCn3nncc3C2)C1=O ZINC001606248913 1018776795 /nfs/dbraw/zinc/77/67/95/1018776795.db2.gz CRBJLZUPDMAPPW-NSHDSACASA-N -1 0 321.337 -0.666 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC[C@]3(CNC(=O)C3)C2)C1=O ZINC001606248627 1018777709 /nfs/dbraw/zinc/77/77/09/1018777709.db2.gz ARLZQWUJNXVELO-BMIGLBTASA-N -1 0 323.349 -0.952 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C1 ZINC001606251178 1018778785 /nfs/dbraw/zinc/77/87/85/1018778785.db2.gz UPOPKUGSNZORSR-GHMZBOCLSA-N -1 0 306.384 -0.414 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)OCCN2CCOCC2)C1=O ZINC001606252900 1018780242 /nfs/dbraw/zinc/78/02/42/1018780242.db2.gz CTKIKDZLJXEEMX-LLVKDONJSA-N -1 0 314.338 -0.815 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NC2CCC(CO)CC2)C1=O ZINC001606251987 1018780414 /nfs/dbraw/zinc/78/04/14/1018780414.db2.gz USWZPVLTHSZKPE-HTAVTVPLSA-N -1 0 312.366 -0.023 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001606250203 1018780780 /nfs/dbraw/zinc/78/07/80/1018780780.db2.gz NWJATDNLTOFJAG-WOPDTQHZSA-N -1 0 320.411 -0.120 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@H]3COC[C@@H]3C2)C1=O ZINC001606252355 1018781021 /nfs/dbraw/zinc/78/10/21/1018781021.db2.gz XNLOKZOWWXJDLB-SRVKXCTJSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)c2cc(=O)[nH]cn2)C1=O ZINC001606255354 1018781712 /nfs/dbraw/zinc/78/17/12/1018781712.db2.gz LKCXCBWVRBSLOD-QMMMGPOBSA-N -1 0 308.294 -0.622 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)c2cc(=O)[nH]cn2)C1=O ZINC001606255353 1018782250 /nfs/dbraw/zinc/78/22/50/1018782250.db2.gz LKCXCBWVRBSLOD-MRVPVSSYSA-N -1 0 308.294 -0.622 20 0 DBADRM O=C([O-])CN1CCCC[C@H](N=c2ncnc3[nH][nH]cc2-3)C1=O ZINC001606258711 1018783315 /nfs/dbraw/zinc/78/33/15/1018783315.db2.gz IRSPJDMWZDHZCF-VIFPVBQESA-N -1 0 304.310 -0.396 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)NCc1ccc(C(=O)[O-])o1 ZINC001606258888 1018783711 /nfs/dbraw/zinc/78/37/11/1018783711.db2.gz HZNOEQKFZHHIPJ-QMMMGPOBSA-N -1 0 305.294 -0.182 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)CO[C@@H]2CCOC2)C1=O ZINC001606257063 1018783872 /nfs/dbraw/zinc/78/38/72/1018783872.db2.gz HYCPQDRNQZNBOA-GHMZBOCLSA-N -1 0 314.338 -0.626 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001606259961 1018785258 /nfs/dbraw/zinc/78/52/58/1018785258.db2.gz RGWXAPGDQGIFOH-QMMMGPOBSA-N -1 0 317.367 -0.274 20 0 DBADRM CNC(=O)[C@@H](O)CNC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001606261777 1018785836 /nfs/dbraw/zinc/78/58/36/1018785836.db2.gz WZCSXNCCZFOWOJ-NSHDSACASA-N -1 0 324.333 -0.396 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001606259603 1018786444 /nfs/dbraw/zinc/78/64/44/1018786444.db2.gz KTDIMLVLHJFRGD-UHFFFAOYSA-N -1 0 309.322 -0.565 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001606264567 1018786573 /nfs/dbraw/zinc/78/65/73/1018786573.db2.gz YESNKRWVEZIBDA-HNNXBMFYSA-N -1 0 321.333 -0.469 20 0 DBADRM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001606261570 1018786585 /nfs/dbraw/zinc/78/65/85/1018786585.db2.gz CEPDYYJOEAJVKX-IUCAKERBSA-N -1 0 315.351 -0.094 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001606259720 1018787098 /nfs/dbraw/zinc/78/70/98/1018787098.db2.gz RDKDIYWWCHKYJO-QMMMGPOBSA-N -1 0 302.294 -0.057 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001606259136 1018787965 /nfs/dbraw/zinc/78/79/65/1018787965.db2.gz LXQSRJUACFLILX-MADCSZMMSA-N -1 0 311.367 -0.713 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1C(=O)[O-] ZINC001606259294 1018788066 /nfs/dbraw/zinc/78/80/66/1018788066.db2.gz GBPARITZQNOEHQ-SSDOTTSWSA-N -1 0 316.335 -0.194 20 0 DBADRM O=C([O-])CNC(=O)Cn1cc(CN2Cc3ccccc3C2)nn1 ZINC001606264511 1018788129 /nfs/dbraw/zinc/78/81/29/1018788129.db2.gz HXPCYLHLNNKFML-UHFFFAOYSA-N -1 0 315.333 -0.005 20 0 DBADRM CNC(=O)CCCNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606269886 1018789913 /nfs/dbraw/zinc/78/99/13/1018789913.db2.gz TWOJATWOXJAOHR-SECBINFHSA-N -1 0 324.341 -0.541 20 0 DBADRM CNC(=O)CC[C@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001606267994 1018790537 /nfs/dbraw/zinc/79/05/37/1018790537.db2.gz TWMHOEUYMHPEBW-SNVBAGLBSA-N -1 0 323.353 -0.116 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)Nc2cccc(C(=O)[O-])n2)CCO1 ZINC001606266253 1018791561 /nfs/dbraw/zinc/79/15/61/1018791561.db2.gz NRLBDFZTUIYTPC-SECBINFHSA-N -1 0 308.294 -0.242 20 0 DBADRM CNC(=O)CCCCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001606269019 1018791581 /nfs/dbraw/zinc/79/15/81/1018791581.db2.gz CFPVUVMINHFWQU-SNVBAGLBSA-N -1 0 313.354 -0.515 20 0 DBADRM Cn1ncc(-c2nn[nH]n2)c1[N-]S(=O)(=O)c1cncc(F)c1 ZINC001606270637 1018793997 /nfs/dbraw/zinc/79/39/97/1018793997.db2.gz FUZPUAOMTBJSOA-UHFFFAOYSA-N -1 0 324.301 -0.065 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1scc(C(=O)[O-])c1C ZINC001606271367 1018795329 /nfs/dbraw/zinc/79/53/29/1018795329.db2.gz RQGAJFMVFSJOSV-UHFFFAOYSA-N -1 0 313.335 -0.102 20 0 DBADRM CNC(=O)CCCN(C)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001606269908 1018795556 /nfs/dbraw/zinc/79/55/56/1018795556.db2.gz UMZOFVOUESGRPL-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM CNC(=O)N1CCN(C(=O)Nc2cc(C(=O)[O-])n(C)n2)CC1 ZINC001606278370 1018799664 /nfs/dbraw/zinc/79/96/64/1018799664.db2.gz SFHDKSJZDQAOCP-UHFFFAOYSA-N -1 0 310.314 -0.393 20 0 DBADRM CNC(=O)Cn1cc(NS(=O)(=O)CC(C)(C)C(=O)[O-])cn1 ZINC001606277458 1018800277 /nfs/dbraw/zinc/80/02/77/1018800277.db2.gz MFSZPMHLYQFVJO-UHFFFAOYSA-N -1 0 318.355 -0.518 20 0 DBADRM O=C([O-])COCCOCCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001606278822 1018800327 /nfs/dbraw/zinc/80/03/27/1018800327.db2.gz GPHMFXWLAIRHLB-LLVKDONJSA-N -1 0 311.338 -0.321 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)NCc1cccc(F)c1F ZINC001606279545 1018800523 /nfs/dbraw/zinc/80/05/23/1018800523.db2.gz YTVRZOZICGOKRI-UHFFFAOYSA-N -1 0 316.260 -0.202 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cn1 ZINC001606277485 1018800910 /nfs/dbraw/zinc/80/09/10/1018800910.db2.gz NQVKRXCMFXSIMF-PSASIEDQSA-N -1 0 309.326 -0.044 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)Cc2ccc(C(=O)[O-])nc2)n1 ZINC001606277297 1018801052 /nfs/dbraw/zinc/80/10/52/1018801052.db2.gz IQHVNNRLIJFIFS-UHFFFAOYSA-N -1 0 318.293 -0.702 20 0 DBADRM CNC(=O)NCCC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001606282084 1018801349 /nfs/dbraw/zinc/80/13/49/1018801349.db2.gz WJUYBBRAZQGPIW-NXEZZACHSA-N -1 0 301.343 -0.308 20 0 DBADRM CNC(=O)NCC(=O)NCC[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001606281299 1018801631 /nfs/dbraw/zinc/80/16/31/1018801631.db2.gz PHPUPRIYVRMOKC-QMMMGPOBSA-N -1 0 324.341 -0.590 20 0 DBADRM CNC(=O)NC[C@@H]1CN(Cc2cnc(C(=O)[O-])cn2)CCO1 ZINC001606282048 1018801824 /nfs/dbraw/zinc/80/18/24/1018801824.db2.gz WBIADPYYEMPWJT-SNVBAGLBSA-N -1 0 309.326 -0.695 20 0 DBADRM CNC(=O)N[C@@H]1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001606280910 1018801857 /nfs/dbraw/zinc/80/18/57/1018801857.db2.gz LGGJHTASFXXHEV-BBBLOLIVSA-N -1 0 319.383 -0.427 20 0 DBADRM CNC(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@H](OC)C1 ZINC001606282374 1018801905 /nfs/dbraw/zinc/80/19/05/1018801905.db2.gz YIGIMFWQVMRNOZ-YWVKMMECSA-N -1 0 301.343 -0.310 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C)/C=C/C(=O)[O-])cn1C ZINC001606283376 1018802116 /nfs/dbraw/zinc/80/21/16/1018802116.db2.gz BPBXUSSLCPTQOR-WTSVBCDHSA-N -1 0 315.351 -0.308 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)/C=C/C(=O)[O-])cn1C ZINC001606283378 1018802677 /nfs/dbraw/zinc/80/26/77/1018802677.db2.gz BPBXUSSLCPTQOR-ZJELKQJVSA-N -1 0 315.351 -0.308 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(C(=O)[O-])o1 ZINC001606280018 1018802692 /nfs/dbraw/zinc/80/26/92/1018802692.db2.gz ANTZCCRULZLDDA-MRVPVSSYSA-N -1 0 311.294 -0.252 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NC[C@]1(O)CCSC1 ZINC001606284902 1018803856 /nfs/dbraw/zinc/80/38/56/1018803856.db2.gz QMXZMZHBVJEQKG-GFCCVEGCSA-N -1 0 322.383 -0.729 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NC[C@H]1CC[C@@H](O)C1 ZINC001606284755 1018804168 /nfs/dbraw/zinc/80/41/68/1018804168.db2.gz KDWJMYSTASAKJW-WDEREUQCSA-N -1 0 304.343 -0.436 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])n1 ZINC001606288348 1018804235 /nfs/dbraw/zinc/80/42/35/1018804235.db2.gz ZFYVWVQOFLTBRZ-JTQLQIEISA-N -1 0 323.305 -0.613 20 0 DBADRM CN[C@H](C(=O)N[C@H](Cc1cncs1)C(=O)[O-])c1cnn(C)c1 ZINC001606292709 1018804907 /nfs/dbraw/zinc/80/49/07/1018804907.db2.gz QMXNOUQBJNWTSB-MNOVXSKESA-N -1 0 323.378 -0.051 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC([C@@H]2COC(=O)N2)CC1 ZINC001606291470 1018804989 /nfs/dbraw/zinc/80/49/89/1018804989.db2.gz JPHCDTREXFRCRK-JTQLQIEISA-N -1 0 320.367 -0.694 20 0 DBADRM O=C([O-])CS(=O)(=O)CCS[C@@H]1CCCS(=O)(=O)C1 ZINC001606296266 1018805022 /nfs/dbraw/zinc/80/50/22/1018805022.db2.gz AVRJQAUWYVUZHT-MRVPVSSYSA-N -1 0 316.422 -0.204 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001606302636 1018807189 /nfs/dbraw/zinc/80/71/89/1018807189.db2.gz LDCQAGGXBCWBDR-GUBZILKMSA-N -1 0 304.368 -0.363 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC001606292822 1018805238 /nfs/dbraw/zinc/80/52/38/1018805238.db2.gz WEUQWZLIRYIXSU-JGLYPNHGSA-N -1 0 319.317 -0.499 20 0 DBADRM CN[C@@H](C(=O)N[C@@H](Cc1cncs1)C(=O)[O-])c1cnn(C)c1 ZINC001606292711 1018805735 /nfs/dbraw/zinc/80/57/35/1018805735.db2.gz QMXNOUQBJNWTSB-WDEREUQCSA-N -1 0 323.378 -0.051 20 0 DBADRM CNS(=O)(=O)N1CCN(c2nc(C)cc(C(=O)[O-])n2)CC1 ZINC001606301527 1018806538 /nfs/dbraw/zinc/80/65/38/1018806538.db2.gz JKDLVGJYHDMUHA-UHFFFAOYSA-N -1 0 315.355 -0.931 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCC2(C(=O)[O-])CC2)C1 ZINC001606298717 1018806669 /nfs/dbraw/zinc/80/66/69/1018806669.db2.gz DITBHODPQNOGOE-SECBINFHSA-N -1 0 319.383 -0.426 20 0 DBADRM CNS(=O)(=O)CCCN1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001606302629 1018806695 /nfs/dbraw/zinc/80/66/95/1018806695.db2.gz KZMPMCPHERCYNG-UWVGGRQHSA-N -1 0 322.383 -0.736 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(c2cncc(C(=O)[O-])n2)C1 ZINC001606299048 1018806807 /nfs/dbraw/zinc/80/68/07/1018806807.db2.gz QQBGHZGADGVPGG-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCc2cc(Cl)nnc2C1 ZINC001606297954 1018806959 /nfs/dbraw/zinc/80/69/59/1018806959.db2.gz ZFTKWKAKRZOMSC-UHFFFAOYSA-N -1 0 319.770 -0.013 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CO)C(=O)[O-])cc1 ZINC001606304500 1018807571 /nfs/dbraw/zinc/80/75/71/1018807571.db2.gz LLDVTOOKMXGFPC-LBPRGKRZSA-N -1 0 316.335 -0.840 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCF)C(=O)[O-])cn1 ZINC001606304396 1018807908 /nfs/dbraw/zinc/80/79/08/1018807908.db2.gz JLPYTUILTKZJQS-QMMMGPOBSA-N -1 0 319.314 -0.468 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)c1cccc(C(=O)[O-])n1 ZINC001606303008 1018808013 /nfs/dbraw/zinc/80/80/13/1018808013.db2.gz QPHYMTKWSBVQDK-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM CNc1cnc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)cn1 ZINC001606312896 1018808172 /nfs/dbraw/zinc/80/81/72/1018808172.db2.gz GXRVBEWYLHNHHX-QMMMGPOBSA-N -1 0 317.309 -0.105 20 0 DBADRM CNS(=O)(=O)CCC(=O)OCC(=O)c1cc(C(=O)[O-])co1 ZINC001606302817 1018808275 /nfs/dbraw/zinc/80/82/75/1018808275.db2.gz NLPDBNWRYKEMHM-UHFFFAOYSA-N -1 0 319.291 -0.357 20 0 DBADRM CNc1cnc(C(=O)N2C[C@H](C(=O)OC)CC[C@H]2C(=O)[O-])cn1 ZINC001606312990 1018808582 /nfs/dbraw/zinc/80/85/82/1018808582.db2.gz ITOBGGGMARCADV-SCZZXKLOSA-N -1 0 322.321 -0.003 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)/C=C/C(=O)[O-])co1 ZINC001606303691 1018808779 /nfs/dbraw/zinc/80/87/79/1018808779.db2.gz RZUFPPQNUUTNQT-SDLBARTOSA-N -1 0 302.308 -0.053 20 0 DBADRM CNc1cnc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])cn1 ZINC001606312795 1018808787 /nfs/dbraw/zinc/80/87/87/1018808787.db2.gz CBHYCGOKTDHDEU-WCBMZHEXSA-N -1 0 322.321 -0.003 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)/C=C\C(=O)[O-])co1 ZINC001606303688 1018808846 /nfs/dbraw/zinc/80/88/46/1018808846.db2.gz RZUFPPQNUUTNQT-AVALRIAPSA-N -1 0 302.308 -0.053 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001606315786 1018809220 /nfs/dbraw/zinc/80/92/20/1018809220.db2.gz LEPAOMODYBWTOZ-BDAKNGLRSA-N -1 0 323.367 -0.717 20 0 DBADRM COC(=O)[C@H](C)OC(=O)[C@H]1[C@H](C(=O)O[C@H](C)C(=O)[O-])[C@@H]1C ZINC001606321229 1018809342 /nfs/dbraw/zinc/80/93/42/1018809342.db2.gz DIRUTSNTNOLXNL-KVEIKIFDSA-N -1 0 302.279 -0.011 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CN1C(=O)Cc2ccccc21 ZINC001606323641 1018809530 /nfs/dbraw/zinc/80/95/30/1018809530.db2.gz LTWMHXIQEBRJRP-SNVBAGLBSA-N -1 0 320.301 -0.292 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)Cc1cn(C)nc1Cl ZINC001606323031 1018810149 /nfs/dbraw/zinc/81/01/49/1018810149.db2.gz FACXGEHYSUYROC-ZETCQYMHSA-N -1 0 303.702 -0.252 20 0 DBADRM COC(=O)[C@@](C)(CO)NS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001606318863 1018810306 /nfs/dbraw/zinc/81/03/06/1018810306.db2.gz RPJAFCONUQTKCZ-SNVBAGLBSA-N -1 0 309.340 -0.915 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)N1CCCC[C@H]1C ZINC001606326607 1018811043 /nfs/dbraw/zinc/81/10/43/1018811043.db2.gz ZNQDFFFQSWRRTQ-BDAKNGLRSA-N -1 0 308.356 -0.289 20 0 DBADRM O=C([O-])Cc1noc(CSCC(=O)N2CCOCC2)n1 ZINC001606324272 1018811126 /nfs/dbraw/zinc/81/11/26/1018811126.db2.gz BRHMKARRXQDFHI-UHFFFAOYSA-N -1 0 301.324 -0.211 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CCc1cc(OC)no1 ZINC001606324919 1018811321 /nfs/dbraw/zinc/81/13/21/1018811321.db2.gz XLGMNCBZPUTBBT-MRVPVSSYSA-N -1 0 300.267 -0.252 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CCC(O)(C(=O)OC)CC1 ZINC001606329337 1018811627 /nfs/dbraw/zinc/81/16/27/1018811627.db2.gz AUPXBAIIXMBGOY-VIFPVBQESA-N -1 0 303.311 -0.607 20 0 DBADRM COC(=O)[C@H](C[C@@H]1CCCO1)N[C@@H](C)C(=O)NCC(=O)[O-] ZINC001606329805 1018811843 /nfs/dbraw/zinc/81/18/43/1018811843.db2.gz FHXUKKXNJAJEQW-GUBZILKMSA-N -1 0 302.327 -0.724 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CCC2(COC(=O)N2)CC1 ZINC001606333627 1018812120 /nfs/dbraw/zinc/81/21/20/1018812120.db2.gz UTESBWHRFRETPJ-VIFPVBQESA-N -1 0 300.311 -0.033 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1CCN(C(=O)N(C)C)CC1 ZINC001606331454 1018812517 /nfs/dbraw/zinc/81/25/17/1018812517.db2.gz GTVPZYXTYXJLHF-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM COC(=O)[C@@H](CF)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001606331393 1018812743 /nfs/dbraw/zinc/81/27/43/1018812743.db2.gz GQEKNEGFNUIASO-RXMQYKEDSA-N -1 0 309.275 -0.794 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](O)CC2)n1 ZINC001606341308 1018812941 /nfs/dbraw/zinc/81/29/41/1018812941.db2.gz QOECWDILLFDBEJ-KYZUINATSA-N -1 0 310.310 -0.674 20 0 DBADRM COC(=O)[C@H](NC(=O)CCSCC(=O)[O-])c1ccnn1C ZINC001606331871 1018813122 /nfs/dbraw/zinc/81/31/22/1018813122.db2.gz IVPBRIABGOXSMF-LLVKDONJSA-N -1 0 315.351 -0.042 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CCN(C(=O)N(C)C)CC1 ZINC001606331451 1018813485 /nfs/dbraw/zinc/81/34/85/1018813485.db2.gz GTVPZYXTYXJLHF-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM COC(=O)[C@@]1(C)CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001606347710 1018813944 /nfs/dbraw/zinc/81/39/44/1018813944.db2.gz LFDOIUNWOABVJR-NSHDSACASA-N -1 0 317.323 -0.318 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c1=O ZINC001606349929 1018815003 /nfs/dbraw/zinc/81/50/03/1018815003.db2.gz APVDOPQFLGTNJI-SECBINFHSA-N -1 0 321.289 -0.791 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCC[C@@]2(O)CCOC2)c1=O ZINC001606355169 1018815362 /nfs/dbraw/zinc/81/53/62/1018815362.db2.gz IWZFKZIPFDAFTG-CQSZACIVSA-N -1 0 310.306 -0.796 20 0 DBADRM COC(=O)C12CC(C(=O)N3CC(n4cc(C(=O)[O-])nn4)C3)(C1)C2 ZINC001606356817 1018815629 /nfs/dbraw/zinc/81/56/29/1018815629.db2.gz GNPMDGCMXTUHRR-UHFFFAOYSA-N -1 0 320.305 -0.297 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCCOC2CCOCC2)c1=O ZINC001606355740 1018815965 /nfs/dbraw/zinc/81/59/65/1018815965.db2.gz ZFWOJWYWKLCIRM-UHFFFAOYSA-N -1 0 324.333 -0.142 20 0 DBADRM COC(=O)[C@@]1(NS(=O)(=O)C[C@H](C)C(=O)[O-])CCSC1 ZINC001606354592 1018816092 /nfs/dbraw/zinc/81/60/92/1018816092.db2.gz RKJBVLCOQLGMCY-OIBJUYFYSA-N -1 0 311.381 -0.325 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@H](CO)[C@@H]2CCCOC2)c1=O ZINC001606355229 1018816143 /nfs/dbraw/zinc/81/61/43/1018816143.db2.gz MJXOPGCAVSDJEL-ZYHUDNBSSA-N -1 0 324.333 -0.550 20 0 DBADRM COC(=O)C1(NC(=O)[C@H](O)C(C)(C)O)CCC(C(=O)[O-])CC1 ZINC001606353023 1018816461 /nfs/dbraw/zinc/81/64/61/1018816461.db2.gz MNZANDJSLZYHAP-PUUHTONNSA-N -1 0 317.338 -0.579 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)CCC1 ZINC001606358030 1018817114 /nfs/dbraw/zinc/81/71/14/1018817114.db2.gz ZARRLJFQZBACPL-JTQLQIEISA-N -1 0 309.315 -0.090 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001606373426 1018817816 /nfs/dbraw/zinc/81/78/16/1018817816.db2.gz KIJKICXPBVRLNM-WPRPVWTQSA-N -1 0 323.305 -0.741 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1nccnc1N ZINC001606372789 1018817941 /nfs/dbraw/zinc/81/79/41/1018817941.db2.gz HVZYFXAIGDVMHL-HTQZYQBOSA-N -1 0 308.294 -0.463 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001606372783 1018817998 /nfs/dbraw/zinc/81/79/98/1018817998.db2.gz ZIJFFICJFOFROK-GUBZILKMSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CCN1CCOCC1 ZINC001606374556 1018818244 /nfs/dbraw/zinc/81/82/44/1018818244.db2.gz GOHJZHOISLNARK-RYUDHWBXSA-N -1 0 300.355 -0.343 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(CO)on1 ZINC001606383704 1018818691 /nfs/dbraw/zinc/81/86/91/1018818691.db2.gz JAQRJZRWQVLEDQ-XVKPBYJWSA-N -1 0 312.278 -0.355 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1CCNC(=O)C1 ZINC001606383779 1018818709 /nfs/dbraw/zinc/81/87/09/1018818709.db2.gz JYOZVHNQXRNOOO-GUBZILKMSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001606377697 1018818787 /nfs/dbraw/zinc/81/87/87/1018818787.db2.gz NGAFGEBZKJPDMS-BDAKNGLRSA-N -1 0 323.367 -0.717 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@]1(F)CCOC1 ZINC001606382234 1018818894 /nfs/dbraw/zinc/81/88/94/1018818894.db2.gz PKIBYIKJPLFUHG-MWODSPESSA-N -1 0 303.286 -0.020 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cn1cccnc1=O ZINC001606382992 1018819025 /nfs/dbraw/zinc/81/90/25/1018819025.db2.gz AGWXHAJABGMBJE-ZJUUUORDSA-N -1 0 323.305 -0.892 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1 ZINC001606377934 1018819043 /nfs/dbraw/zinc/81/90/43/1018819043.db2.gz NPHQKKLRSHDSKZ-UMNHJUIQSA-N -1 0 316.354 -0.932 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(=O)n1C ZINC001606384209 1018819601 /nfs/dbraw/zinc/81/96/01/1018819601.db2.gz CDCPIRGWHQGRDR-GXSJLCMTSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)C1COC1 ZINC001606375238 1018819627 /nfs/dbraw/zinc/81/96/27/1018819627.db2.gz LIPUFWDBFJOQGR-VXNVDRBHSA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@]1(F)CCOC1 ZINC001606382236 1018819840 /nfs/dbraw/zinc/81/98/40/1018819840.db2.gz PKIBYIKJPLFUHG-RVBZMBCESA-N -1 0 303.286 -0.020 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCCCC(N)=O)C1 ZINC001606388462 1018820389 /nfs/dbraw/zinc/82/03/89/1018820389.db2.gz NNOWZUITWKYNGX-NXEZZACHSA-N -1 0 314.338 -0.103 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCO[C@@H]1CCCCO1 ZINC001606388019 1018820801 /nfs/dbraw/zinc/82/08/01/1018820801.db2.gz GMJBTOXYIBERBR-WDEREUQCSA-N -1 0 322.383 -0.087 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2nnc(C)o2)C1 ZINC001606390785 1018821097 /nfs/dbraw/zinc/82/10/97/1018821097.db2.gz BSMUOSMWBYQBQQ-IUCAKERBSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2nnc(C)o2)C1 ZINC001606390781 1018821363 /nfs/dbraw/zinc/82/13/63/1018821363.db2.gz BSMUOSMWBYQBQQ-BDAKNGLRSA-N -1 0 311.294 -0.215 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H](O)C(F)(F)C1 ZINC001606387958 1018821585 /nfs/dbraw/zinc/82/15/85/1018821585.db2.gz BMOOSQTZZUKPEQ-JGVFFNPUSA-N -1 0 314.310 -0.518 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001606392478 1018822095 /nfs/dbraw/zinc/82/20/95/1018822095.db2.gz OANYOLQRAYOMFL-GHMZBOCLSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCCn2cncn2)[C@@H](C(=O)[O-])C1 ZINC001606402307 1018823904 /nfs/dbraw/zinc/82/39/04/1018823904.db2.gz BRIQIFGTWGCWAA-WDEREUQCSA-N -1 0 324.337 -0.077 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H](C)n2cncn2)[C@H](C(=O)[O-])C1 ZINC001606403457 1018823965 /nfs/dbraw/zinc/82/39/65/1018823965.db2.gz IJWLVVCTLIGBIY-AEJSXWLSSA-N -1 0 310.310 -0.296 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC001606401331 1018824130 /nfs/dbraw/zinc/82/41/30/1018824130.db2.gz CQZGFQXMXGMJME-WCABBAIRSA-N -1 0 316.379 -0.078 20 0 DBADRM NC(=O)[C@@]1(O)CCN(c2nc(-c3nnn[n-]3)c(Cl)s2)C1 ZINC001606404136 1018824339 /nfs/dbraw/zinc/82/43/39/1018824339.db2.gz FWIYSAGMLJSKIJ-SECBINFHSA-N -1 0 315.746 -0.597 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2nccnc2N)[C@@H](C(=O)[O-])C1 ZINC001606408219 1018825987 /nfs/dbraw/zinc/82/59/87/1018825987.db2.gz AVASNGDCMWCEKS-HTQZYQBOSA-N -1 0 308.294 -0.463 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2ccc(=O)n(C)c2)[C@H](C(=O)[O-])C1 ZINC001606406878 1018826135 /nfs/dbraw/zinc/82/61/35/1018826135.db2.gz JQIYKPKLTJLCJF-KOLCDFICSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2ccc(=O)n(C)c2)[C@H](C(=O)[O-])C1 ZINC001606406880 1018826569 /nfs/dbraw/zinc/82/65/69/1018826569.db2.gz JQIYKPKLTJLCJF-ONGXEEELSA-N -1 0 322.317 -0.136 20 0 DBADRM NC(=O)CCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001606415569 1018827812 /nfs/dbraw/zinc/82/78/12/1018827812.db2.gz AXXNRVYQVUYGJB-UHFFFAOYSA-N -1 0 314.327 -0.606 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C2(OC)CCOCC2)C[C@H]1C(=O)[O-] ZINC001606414996 1018828000 /nfs/dbraw/zinc/82/80/00/1018828000.db2.gz AYPFMZHSZIEWAT-NXEZZACHSA-N -1 0 315.322 -0.486 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)/C=C(\C)C(=O)N1CC[C@H]1C(=O)[O-] ZINC001606415403 1018828254 /nfs/dbraw/zinc/82/82/54/1018828254.db2.gz FPEQNCQETVEBKS-GOPXOUGQSA-N -1 0 310.306 -0.608 20 0 DBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001606414800 1018828575 /nfs/dbraw/zinc/82/85/75/1018828575.db2.gz YCPIMKMUZMGORH-ZCFIWIBFSA-N -1 0 303.296 -0.709 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1C(=O)[O-] ZINC001606417681 1018829284 /nfs/dbraw/zinc/82/92/84/1018829284.db2.gz RVBOANMWWJBGRK-RFXMVYNHSA-N -1 0 312.322 -0.765 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@H]1C(=O)[O-] ZINC001606418728 1018829766 /nfs/dbraw/zinc/82/97/66/1018829766.db2.gz NLZKGKXOLYBOQY-BDAKNGLRSA-N -1 0 321.351 -0.858 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1C(=O)[O-] ZINC001606417679 1018830309 /nfs/dbraw/zinc/83/03/09/1018830309.db2.gz RVBOANMWWJBGRK-NUPCCRGMSA-N -1 0 312.322 -0.765 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C(C)C)C[C@H]1C(=O)[O-] ZINC001606417865 1018830557 /nfs/dbraw/zinc/83/05/57/1018830557.db2.gz SUWNFYMCXAHHKK-RKDXNWHRSA-N -1 0 300.311 -0.815 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2cc(=O)n(C)cn2)C[C@@H]1C(=O)[O-] ZINC001606420344 1018830771 /nfs/dbraw/zinc/83/07/71/1018830771.db2.gz GUJBNEZGMWSRFP-JGVFFNPUSA-N -1 0 324.293 -0.882 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1C(=O)[O-] ZINC001606420545 1018831015 /nfs/dbraw/zinc/83/10/15/1018831015.db2.gz IJPLKHXMABERMT-SFYZADRCSA-N -1 0 309.278 -0.779 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1C(=O)[O-] ZINC001606420546 1018831487 /nfs/dbraw/zinc/83/14/87/1018831487.db2.gz IJPLKHXMABERMT-YUMQZZPRSA-N -1 0 309.278 -0.779 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cc2nnc(C)s2)C[C@@H]1C(=O)[O-] ZINC001606419326 1018831599 /nfs/dbraw/zinc/83/15/99/1018831599.db2.gz PFFIGYRZFXYXQZ-YUMQZZPRSA-N -1 0 313.335 -0.279 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cc2cncc(O)c2)C[C@H]1C(=O)[O-] ZINC001606420486 1018831690 /nfs/dbraw/zinc/83/16/90/1018831690.db2.gz VFRAPPVVILFZAE-GHMZBOCLSA-N -1 0 308.290 -0.338 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2cc(C)nn2C)C[C@@H]1C(=O)[O-] ZINC001606420070 1018831894 /nfs/dbraw/zinc/83/18/94/1018831894.db2.gz GJGOQYPMLVEJJL-QWRGUYRKSA-N -1 0 324.337 -0.256 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1C(=O)[O-] ZINC001606420634 1018832165 /nfs/dbraw/zinc/83/21/65/1018832165.db2.gz IHNZGGCKEQWNDU-HICWFYGMSA-N -1 0 324.333 -0.323 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cc(C=O)n(C)n2)C[C@H]1C(=O)[O-] ZINC001606424010 1018832777 /nfs/dbraw/zinc/83/27/77/1018832777.db2.gz ZHYBNRSNDWUKFR-BDAKNGLRSA-N -1 0 309.278 -0.822 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@@H]1C(=O)[O-] ZINC001606423783 1018833307 /nfs/dbraw/zinc/83/33/07/1018833307.db2.gz WBNMYKMMIDWSLR-ZNSHCXBVSA-N -1 0 321.333 -0.144 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H]1C(=O)[O-] ZINC001606423044 1018833741 /nfs/dbraw/zinc/83/37/41/1018833741.db2.gz PQHMESPAXMPDMA-BQBZGAKWSA-N -1 0 310.262 -0.676 20 0 DBADRM COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@H](C)CC(=O)[O-] ZINC001606430329 1018834733 /nfs/dbraw/zinc/83/47/33/1018834733.db2.gz ADDFHHPVUGCOBW-IUCAKERBSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)[C@@H]1CSCCN1CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001606428553 1018834775 /nfs/dbraw/zinc/83/47/75/1018834775.db2.gz ATYORLOASUHAJP-ONGXEEELSA-N -1 0 318.395 -0.198 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cn(C)nc2OC)C[C@H]1C(=O)[O-] ZINC001606426751 1018834939 /nfs/dbraw/zinc/83/49/39/1018834939.db2.gz SRVYVSYXHCPMKW-SFYZADRCSA-N -1 0 311.294 -0.626 20 0 DBADRM COC(=O)[C@@H]1CN(Cn2ncn(C)c2=S)C[C@H]1C(=O)[O-] ZINC001606430282 1018835115 /nfs/dbraw/zinc/83/51/15/1018835115.db2.gz ABIFQBRKSISNTL-HTQZYQBOSA-N -1 0 300.340 -0.286 20 0 DBADRM COC(=O)[C@H]1CSCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001606429004 1018835659 /nfs/dbraw/zinc/83/56/59/1018835659.db2.gz JSPJAVLZEDSKMX-BBBLOLIVSA-N -1 0 317.363 -0.017 20 0 DBADRM COC(=O)[C@@H]1COCCN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606430984 1018836475 /nfs/dbraw/zinc/83/64/75/1018836475.db2.gz GEXDKZFMLHTAOS-JTQLQIEISA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)Nc2cccnn2)C[C@H]1C(=O)[O-] ZINC001606430825 1018836623 /nfs/dbraw/zinc/83/66/23/1018836623.db2.gz QJCAJSAMGSACHE-RKDXNWHRSA-N -1 0 308.294 -0.779 20 0 DBADRM COC(=O)CC(=O)N1C[C@H](C)N(C(=O)CC(=O)[O-])C[C@H]1C ZINC001606435239 1018837175 /nfs/dbraw/zinc/83/71/75/1018837175.db2.gz NNCRKTHEQYKNSR-DTWKUNHWSA-N -1 0 300.311 -0.528 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)C[C@@H]1CCCOC1)C2 ZINC001606432802 1018837204 /nfs/dbraw/zinc/83/72/04/1018837204.db2.gz NFPAVYAXVIGDDO-MDZLAQPJSA-N -1 0 319.379 -0.224 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)CCOC(C)C)C[C@H]1C(=O)[O-] ZINC001606432431 1018837402 /nfs/dbraw/zinc/83/74/02/1018837402.db2.gz STEUICQGJHTZIC-ZJUUUORDSA-N -1 0 323.367 -0.453 20 0 DBADRM COC(=O)C[C@H](C)CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001606439600 1018838140 /nfs/dbraw/zinc/83/81/40/1018838140.db2.gz FSRHBPSNQFDJKU-BDAKNGLRSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001606441314 1018838189 /nfs/dbraw/zinc/83/81/89/1018838189.db2.gz SEJLGTXOANAFMA-RGNHYFCHSA-N -1 0 321.351 -0.810 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)CCN2C(=O)CCNC2=S)C1 ZINC001606441466 1018838362 /nfs/dbraw/zinc/83/83/62/1018838362.db2.gz UEKNBBAKIUIFQI-VIFPVBQESA-N -1 0 313.379 -0.194 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H](C)Sc1nncn1C)C(=O)[O-] ZINC001606438355 1018839035 /nfs/dbraw/zinc/83/90/35/1018839035.db2.gz GUQDRMKCRGQLJZ-RQJHMYQMSA-N -1 0 316.339 -0.572 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)C1 ZINC001606441419 1018839068 /nfs/dbraw/zinc/83/90/68/1018839068.db2.gz JBDRCFXFBYYELK-QJPTWQEYSA-N -1 0 320.349 -0.261 20 0 DBADRM COC(=O)C[C@@H](NC(=O)COCc1cc(C)no1)C(=O)[O-] ZINC001606440301 1018839103 /nfs/dbraw/zinc/83/91/03/1018839103.db2.gz KBHKFGONTJXVDF-SECBINFHSA-N -1 0 300.267 -0.368 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccoc1CC(=O)[O-])C(=O)OC ZINC001606441954 1018839277 /nfs/dbraw/zinc/83/92/77/1018839277.db2.gz HLDZMOHUJFXRIN-MRVPVSSYSA-N -1 0 313.262 -0.259 20 0 DBADRM COC(=O)C[C@H](C)CC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001606439117 1018839282 /nfs/dbraw/zinc/83/92/82/1018839282.db2.gz BOKREKCOIRNSRD-BDAKNGLRSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)C[C@H]1COCCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606447103 1018839956 /nfs/dbraw/zinc/83/99/56/1018839956.db2.gz KHEFWOLBOYHSPZ-LPEHRKFASA-N -1 0 321.351 -0.557 20 0 DBADRM COC(=O)CC1(NC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1 ZINC001606445650 1018840247 /nfs/dbraw/zinc/84/02/47/1018840247.db2.gz PVSKEQOLKBGBDO-UHFFFAOYSA-N -1 0 308.290 -0.242 20 0 DBADRM COC(=O)CCN1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC001606454355 1018841726 /nfs/dbraw/zinc/84/17/26/1018841726.db2.gz DKDBMAYVTOFBCS-SNVBAGLBSA-N -1 0 322.383 -0.782 20 0 DBADRM COC(=O)CCCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001606454071 1018842604 /nfs/dbraw/zinc/84/26/04/1018842604.db2.gz XOOAXVMGCOHYQC-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1ccc2n[nH]nc2n1)C(=O)[O-] ZINC001606460621 1018843867 /nfs/dbraw/zinc/84/38/67/1018843867.db2.gz PJMWCJSPTQUYGV-MRVPVSSYSA-N -1 0 307.266 -0.511 20 0 DBADRM COC(=O)COCC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001606470824 1018845269 /nfs/dbraw/zinc/84/52/69/1018845269.db2.gz JHDCPSDDFDYZNR-ZJUUUORDSA-N -1 0 303.311 -0.438 20 0 DBADRM COC(=O)COCC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001606470719 1018845362 /nfs/dbraw/zinc/84/53/62/1018845362.db2.gz DBHMRHZNRJDRKG-DTWKUNHWSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)COCC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001606470984 1018845839 /nfs/dbraw/zinc/84/58/39/1018845839.db2.gz RGPGVWQMDZKRER-IUCAKERBSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)COCCNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001606474287 1018846310 /nfs/dbraw/zinc/84/63/10/1018846310.db2.gz RRMVJLVMZFYGKZ-ZJUUUORDSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)C[C@@H](OC(=O)C[C@H]1CCOC[C@H]1OC)C(=O)[O-] ZINC001606476880 1018846362 /nfs/dbraw/zinc/84/63/62/1018846362.db2.gz OTPWPVJSJCHAEP-OPRDCNLKSA-N -1 0 304.295 -0.013 20 0 DBADRM O=C(C=Cc1ccccc1-c1nn[nH]n1)Nn1c(=O)[n-][nH]c1=O ZINC001606486041 1018846504 /nfs/dbraw/zinc/84/65/04/1018846504.db2.gz QZLAYBUFMOFNSI-WAYWQWQTSA-N -1 0 314.265 -0.347 20 0 DBADRM COC(=O)COCCNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001606474284 1018846555 /nfs/dbraw/zinc/84/65/55/1018846555.db2.gz RRMVJLVMZFYGKZ-NXEZZACHSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)Cc1occc1C(=O)N[C@@H](CC(=O)[O-])C(=O)OC ZINC001606483883 1018846661 /nfs/dbraw/zinc/84/66/61/1018846661.db2.gz KDLYFKOULUUXSR-QMMMGPOBSA-N -1 0 313.262 -0.259 20 0 DBADRM COC(=O)CN1CCN(c2ncnc(C(=O)[O-])c2OC)CC1 ZINC001606471562 1018846718 /nfs/dbraw/zinc/84/67/18/1018846718.db2.gz JZVISJYTMIJLKI-UHFFFAOYSA-N -1 0 310.310 -0.522 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCNC(=O)c2ccn[nH]2)nc1 ZINC001606472787 1018846841 /nfs/dbraw/zinc/84/68/41/1018846841.db2.gz OVNLJXVHMHRVPQ-UHFFFAOYSA-N -1 0 303.278 -0.337 20 0 DBADRM COC(=O)C[C@@H]1CC[C@H](NC(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001606476047 1018846992 /nfs/dbraw/zinc/84/69/92/1018846992.db2.gz XGFZFQWKVPSIRP-BDAKNGLRSA-N -1 0 310.310 -0.176 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCC[C@H](C(=O)NCC(=O)[O-])C1 ZINC001606471484 1018847020 /nfs/dbraw/zinc/84/70/20/1018847020.db2.gz GJIGIDVUQDCLPR-IUCAKERBSA-N -1 0 300.311 -0.717 20 0 DBADRM COC(=O)C[C@@H]1CCC[C@H]1NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001606475991 1018847372 /nfs/dbraw/zinc/84/73/72/1018847372.db2.gz SWITZXAQGGLGDJ-DTWKUNHWSA-N -1 0 310.310 -0.176 20 0 DBADRM COC(=O)COCCNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001606474285 1018847528 /nfs/dbraw/zinc/84/75/28/1018847528.db2.gz RRMVJLVMZFYGKZ-UWVGGRQHSA-N -1 0 323.367 -0.261 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)NCc1cncc(-c2nn[nH]n2)c1 ZINC001606498632 1018847977 /nfs/dbraw/zinc/84/79/77/1018847977.db2.gz IVDWCADTRAUXIP-LLVKDONJSA-N -1 0 315.337 -0.063 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)NCc1cncc(-c2nn[nH]n2)c1 ZINC001606498633 1018848393 /nfs/dbraw/zinc/84/83/93/1018848393.db2.gz IVDWCADTRAUXIP-NSHDSACASA-N -1 0 315.337 -0.063 20 0 DBADRM COC(=O)NCC(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001606493350 1018848551 /nfs/dbraw/zinc/84/85/51/1018848551.db2.gz DORAJYFCCQERKU-MRVPVSSYSA-N -1 0 316.310 -0.403 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001606506711 1018849363 /nfs/dbraw/zinc/84/93/63/1018849363.db2.gz PBHXYQYZZCMSCB-JTQLQIEISA-N -1 0 317.319 -0.874 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)OCC(=O)C2(C(=O)[O-])CC2)O1 ZINC001606510038 1018849695 /nfs/dbraw/zinc/84/96/95/1018849695.db2.gz SVPJBRCWZJZCLX-JGVFFNPUSA-N -1 0 300.263 -0.316 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cn(C)cn1 ZINC001606506069 1018849748 /nfs/dbraw/zinc/84/97/48/1018849748.db2.gz QNSFADSRTIPBQR-SSDOTTSWSA-N -1 0 305.312 -0.895 20 0 DBADRM COC(=O)[C@@H](C)N(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606501579 1018850133 /nfs/dbraw/zinc/85/01/33/1018850133.db2.gz ZLUCYCSSENCFRU-RKDXNWHRSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@@H]1CN(CN2CCSC[C@H](C(=O)[O-])C2)C(=O)O1 ZINC001606510941 1018850797 /nfs/dbraw/zinc/85/07/97/1018850797.db2.gz SIMUGLANTNGMPD-BDAKNGLRSA-N -1 0 318.351 -0.313 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H](OC)C[C@@H]2C(=O)[O-])O1 ZINC001606516052 1018850852 /nfs/dbraw/zinc/85/08/52/1018850852.db2.gz FEUYSWRQINJBBN-ZRUFSTJUSA-N -1 0 315.322 -0.202 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001606519541 1018851205 /nfs/dbraw/zinc/85/12/05/1018851205.db2.gz OELKNSXFHPXGLX-AXTSPUMRSA-N -1 0 300.311 -0.585 20 0 DBADRM COC(=O)[C@@H]1CO[C@H](CCC(=O)Nc2ccnc(C(=O)[O-])n2)C1 ZINC001606511027 1018851563 /nfs/dbraw/zinc/85/15/63/1018851563.db2.gz KMSLIJPHLRTGPC-DTWKUNHWSA-N -1 0 323.305 -0.107 20 0 DBADRM O=C(CCCF)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001606517362 1018851579 /nfs/dbraw/zinc/85/15/79/1018851579.db2.gz JGUYYOPTBAQFEI-QMMMGPOBSA-N -1 0 324.320 -0.705 20 0 DBADRM O=C(CCCF)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001606517361 1018851877 /nfs/dbraw/zinc/85/18/77/1018851877.db2.gz JGUYYOPTBAQFEI-MRVPVSSYSA-N -1 0 324.320 -0.705 20 0 DBADRM COC(=O)c1cc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])ccn1 ZINC001606537411 1018853008 /nfs/dbraw/zinc/85/30/08/1018853008.db2.gz KMJPJIUAMOXFCE-ZETCQYMHSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H](CF)C(=O)[O-] ZINC001606525748 1018853235 /nfs/dbraw/zinc/85/32/35/1018853235.db2.gz XSWLLDCEFPFEHY-YFKPBYRVSA-N -1 0 309.275 -0.794 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN1CC[C@@H](C(=O)OC)C1 ZINC001606538394 1018853435 /nfs/dbraw/zinc/85/34/35/1018853435.db2.gz SNQAYIOEWDYMPG-MRVPVSSYSA-N -1 0 311.294 -0.180 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCCCn2cccnc2=O)cn1 ZINC001606536388 1018853479 /nfs/dbraw/zinc/85/34/79/1018853479.db2.gz MKQVMAHWWKVWDQ-UHFFFAOYSA-N -1 0 303.278 -0.448 20 0 DBADRM COC(=O)c1cc(=O)n(CC(=O)N[C@H](C(=O)[O-])C(C)C)cn1 ZINC001606534854 1018853598 /nfs/dbraw/zinc/85/35/98/1018853598.db2.gz IQESRWOCGCUWES-NSHDSACASA-N -1 0 311.294 -0.745 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)c2ccccc21 ZINC001606563751 1018855802 /nfs/dbraw/zinc/85/58/02/1018855802.db2.gz HHBMUUZEMDPWAO-CHWSQXEVSA-N -1 0 317.345 -0.152 20 0 DBADRM O=C([O-])C1(CNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CCC1 ZINC001606568999 1018855837 /nfs/dbraw/zinc/85/58/37/1018855837.db2.gz GGMQTUSZRVNPQF-MRVPVSSYSA-N -1 0 323.309 -0.629 20 0 DBADRM O=C([O-])C1(C(=O)NCCCN2CCOC2=O)CCOCC1 ZINC001606566843 1018855865 /nfs/dbraw/zinc/85/58/65/1018855865.db2.gz UDSRCRNCTWEUIQ-UHFFFAOYSA-N -1 0 300.311 -0.174 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@](C)(C(=O)[O-])C2)n[nH]1 ZINC001606565587 1018855992 /nfs/dbraw/zinc/85/59/92/1018855992.db2.gz HNVSWCZQSCMSPY-LLVKDONJSA-N -1 0 317.323 -0.318 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)NCCOCCCO ZINC001606575681 1018857039 /nfs/dbraw/zinc/85/70/39/1018857039.db2.gz MAVPDXJKTBNQGC-UHFFFAOYSA-N -1 0 321.337 -0.239 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)NCCOCCO ZINC001606577858 1018857170 /nfs/dbraw/zinc/85/71/70/1018857170.db2.gz ZVOXQFUCHRSSIG-UHFFFAOYSA-N -1 0 307.310 -0.629 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)N[C@@H]1COC[C@H]1O ZINC001606573470 1018857683 /nfs/dbraw/zinc/85/76/83/1018857683.db2.gz ZWQOBPDPPDHQTF-GHMZBOCLSA-N -1 0 305.294 -0.879 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])cc1 ZINC001606593965 1018857913 /nfs/dbraw/zinc/85/79/13/1018857913.db2.gz CGVGKFJDNAJVQT-SNVBAGLBSA-N -1 0 324.289 -0.637 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-])o1 ZINC001606604731 1018858401 /nfs/dbraw/zinc/85/84/01/1018858401.db2.gz AFGRPNCLVSGPHS-MRVPVSSYSA-N -1 0 321.307 -0.431 20 0 DBADRM COC(=O)c1cccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)n1 ZINC001606608520 1018858425 /nfs/dbraw/zinc/85/84/25/1018858425.db2.gz PAMGCVVZAVAERX-VIFPVBQESA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)c1ccc(NC(=O)N2C[C@H](O)[C@@H](O)C2)cc1C(=O)[O-] ZINC001606595650 1018858672 /nfs/dbraw/zinc/85/86/72/1018858672.db2.gz JBRDOKCBVBHQBP-QWRGUYRKSA-N -1 0 324.289 -0.259 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1C2CCC1CC2 ZINC001606614909 1018859219 /nfs/dbraw/zinc/85/92/19/1018859219.db2.gz AUXPMNZBHJEHJT-UHFFFAOYSA-N -1 0 317.309 -0.718 20 0 DBADRM COC(=O)c1ccnc(S(=O)(=O)N(C)CCC(=O)[O-])c1 ZINC001606622141 1018860060 /nfs/dbraw/zinc/86/00/60/1018860060.db2.gz OOYQXEUDHHBAGC-UHFFFAOYSA-N -1 0 302.308 -0.037 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@@H]1c1ncc[nH]1 ZINC001606620838 1018860135 /nfs/dbraw/zinc/86/01/35/1018860135.db2.gz SBJVRGCILAIJGU-MRVPVSSYSA-N -1 0 314.313 -0.455 20 0 DBADRM COC(=O)c1cccn(CC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1=O ZINC001606622524 1018860365 /nfs/dbraw/zinc/86/03/65/1018860365.db2.gz XFMOQAKJAULVNY-MWLCHTKSSA-N -1 0 322.317 -0.186 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H](CO)CC1CCC1 ZINC001606620352 1018860440 /nfs/dbraw/zinc/86/04/40/1018860440.db2.gz JWRGGYZNFPDZST-VIFPVBQESA-N -1 0 306.330 -0.875 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)nn1 ZINC001606622933 1018861107 /nfs/dbraw/zinc/86/11/07/1018861107.db2.gz JMVVQKNZSGNIDN-RKDXNWHRSA-N -1 0 310.310 -0.224 20 0 DBADRM COC(=O)c1cn(CC(=O)N2C3CCC2(C(=O)[O-])CC3)nn1 ZINC001606622981 1018861145 /nfs/dbraw/zinc/86/11/45/1018861145.db2.gz LJAHYRKFTFMQNE-UHFFFAOYSA-N -1 0 308.294 -0.327 20 0 DBADRM CO[C@H](CNS(=O)(=O)C1(C(=O)[O-])CCC1)[C@@H]1CCOC1 ZINC001606679238 1018865713 /nfs/dbraw/zinc/86/57/13/1018865713.db2.gz AYOPIOKLAIVAEW-NXEZZACHSA-N -1 0 307.368 -0.035 20 0 DBADRM COC(=O)c1cn(CC(=O)OCC(=O)C2(C(=O)[O-])CC2)nn1 ZINC001606625510 1018862132 /nfs/dbraw/zinc/86/21/32/1018862132.db2.gz KYEBSQNKPPRTST-UHFFFAOYSA-N -1 0 311.250 -0.958 20 0 DBADRM COC(=O)c1cn(CCNC(=O)N2CC[C@H](C(=O)[O-])C2)nn1 ZINC001606625137 1018862250 /nfs/dbraw/zinc/86/22/50/1018862250.db2.gz IFLIPQQCXSLQIT-QMMMGPOBSA-N -1 0 311.298 -0.819 20 0 DBADRM COC(=O)c1nc(Cl)n(CC(=O)N[C@H](C(=O)[O-])C(C)C)n1 ZINC001606635837 1018862326 /nfs/dbraw/zinc/86/23/26/1018862326.db2.gz OKNATZRQIWWTRB-ZETCQYMHSA-N -1 0 318.717 -0.057 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC001606636821 1018862661 /nfs/dbraw/zinc/86/26/61/1018862661.db2.gz JEFZGKSWEWGMDK-JTQLQIEISA-N -1 0 312.278 -0.043 20 0 DBADRM COC(=O)c1cn(CCNC(=O)NCC(C)(C)C(=O)[O-])nn1 ZINC001606625090 1018863000 /nfs/dbraw/zinc/86/30/00/1018863000.db2.gz HIOYFDLXKUKYIH-UHFFFAOYSA-N -1 0 313.314 -0.525 20 0 DBADRM CO[C@@H](C(=O)NCCCNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001606652106 1018863505 /nfs/dbraw/zinc/86/35/05/1018863505.db2.gz ZBYWGROYJTXUGX-LLVKDONJSA-N -1 0 308.338 -0.060 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H](CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001606660028 1018863584 /nfs/dbraw/zinc/86/35/84/1018863584.db2.gz UWNUZNWCBVENFG-WPRPVWTQSA-N -1 0 308.338 -0.062 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1OC ZINC001606659141 1018863613 /nfs/dbraw/zinc/86/36/13/1018863613.db2.gz IBWVXELOMTXZJV-IVZWLZJFSA-N -1 0 324.337 -0.471 20 0 DBADRM CO[C@H](C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-])[C@@H]1CCOC1 ZINC001606649804 1018863626 /nfs/dbraw/zinc/86/36/26/1018863626.db2.gz XRTOMWLJRAOMHE-UHIISALHSA-N -1 0 311.338 -0.106 20 0 DBADRM CO[C@H](C)C(=O)N[C@H](CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001606659913 1018863693 /nfs/dbraw/zinc/86/36/93/1018863693.db2.gz UWNUZNWCBVENFG-PSASIEDQSA-N -1 0 308.338 -0.062 20 0 DBADRM CO[C@@H](C)CC(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O ZINC001606659950 1018864358 /nfs/dbraw/zinc/86/43/58/1018864358.db2.gz QZHQWDHESSSJBA-GDPRMGEGSA-N -1 0 324.337 -0.735 20 0 DBADRM CO[C@@H](C(=O)NCCNc1ccnc(C(=O)[O-])n1)C1CCC1 ZINC001606650146 1018864647 /nfs/dbraw/zinc/86/46/47/1018864647.db2.gz GQAIWFOZDVZONS-LLVKDONJSA-N -1 0 308.338 -0.060 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001606661845 1018865200 /nfs/dbraw/zinc/86/52/00/1018865200.db2.gz RVXIALYSROOVFT-ZETCQYMHSA-N -1 0 304.328 -0.802 20 0 DBADRM CO[C@@H](CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(C)C ZINC001606676231 1018865664 /nfs/dbraw/zinc/86/56/64/1018865664.db2.gz MLRDOHOPFNVVMD-GUBZILKMSA-N -1 0 303.359 -0.066 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@H](OC)[C@@H]1CCOC1)OC ZINC001606669327 1018865696 /nfs/dbraw/zinc/86/56/96/1018865696.db2.gz XDOILNUWWTZMHS-ZWNOBZJWSA-N -1 0 319.354 -0.040 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@H](OC)[C@H]1CCOC1)OC ZINC001606669325 1018865722 /nfs/dbraw/zinc/86/57/22/1018865722.db2.gz XDOILNUWWTZMHS-GXFFZTMASA-N -1 0 319.354 -0.040 20 0 DBADRM COC(CN(CCC(=O)[O-])CC(=O)Nc1ccncc1)OC ZINC001606674426 1018865825 /nfs/dbraw/zinc/86/58/25/1018865825.db2.gz HSFZLXJPHANMOT-UHFFFAOYSA-N -1 0 311.338 -0.162 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1)C1CC1 ZINC001606681216 1018866215 /nfs/dbraw/zinc/86/62/15/1018866215.db2.gz LMBNFNQWTLQVJB-NEPJUHHUSA-N -1 0 321.395 -0.101 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001606673451 1018866303 /nfs/dbraw/zinc/86/63/03/1018866303.db2.gz KTUSZQHYOAMLBC-XWLWVQCSSA-N -1 0 314.338 -0.867 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@@H](CO)C(=O)[O-])c1ccccc1 ZINC001606683101 1018866597 /nfs/dbraw/zinc/86/65/97/1018866597.db2.gz OVNCMUGERFDOET-WDEREUQCSA-N -1 0 303.336 -0.261 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC001606683908 1018866798 /nfs/dbraw/zinc/86/67/98/1018866798.db2.gz ZRBVMRAVPANNPZ-LMLFDSFASA-N -1 0 323.367 -0.801 20 0 DBADRM CO[C@]1(C(=O)NCCn2cc(C(=O)[O-])nn2)CCSC1 ZINC001606690238 1018867193 /nfs/dbraw/zinc/86/71/93/1018867193.db2.gz BVBIDSDRGZEFGA-LLVKDONJSA-N -1 0 300.340 -0.385 20 0 DBADRM COC1(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CCOCC1 ZINC001606688924 1018867523 /nfs/dbraw/zinc/86/75/23/1018867523.db2.gz PZABVMWNAGAJDD-JTQLQIEISA-N -1 0 324.337 -0.055 20 0 DBADRM COC(OC)[C@H](C)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001606684138 1018867637 /nfs/dbraw/zinc/86/76/37/1018867637.db2.gz GLPDHIKXBRTUOT-ZETCQYMHSA-N -1 0 301.303 -0.717 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H](C)c2cccnc2)C1 ZINC001606692592 1018868051 /nfs/dbraw/zinc/86/80/51/1018868051.db2.gz YVOMMZVPJNOFOZ-BMIGLBTASA-N -1 0 321.333 -0.039 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001606695289 1018868124 /nfs/dbraw/zinc/86/81/24/1018868124.db2.gz ATIBDMLATOMKNK-LKFCYVNXSA-N -1 0 308.338 -0.378 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)Cn2c(C)cc(O)cc2=O)C1 ZINC001606696848 1018868292 /nfs/dbraw/zinc/86/82/92/1018868292.db2.gz HVWLPSHHTQAUEB-AWEZNQCLSA-N -1 0 310.306 -0.436 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C)O)C1 ZINC001606691903 1018868384 /nfs/dbraw/zinc/86/83/84/1018868384.db2.gz SKSNTAUBQSBZHZ-GPCCPHFNSA-N -1 0 314.338 -0.940 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CSc2n[nH]c(C)n2)C1 ZINC001606696242 1018868407 /nfs/dbraw/zinc/86/84/07/1018868407.db2.gz BXOLKJMJCFZHJV-LLVKDONJSA-N -1 0 300.340 -0.093 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCCOCC2)C1 ZINC001606691575 1018868480 /nfs/dbraw/zinc/86/84/80/1018868480.db2.gz ONGJHQQIKUNCQO-YGRLFVJLSA-N -1 0 314.338 -0.626 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCCCCS(C)(=O)=O)C1 ZINC001606699250 1018869688 /nfs/dbraw/zinc/86/96/88/1018869688.db2.gz RCARAMCVLZBBHV-LBPRGKRZSA-N -1 0 322.383 -0.304 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=S)NCCN2CCOCC2)C1 ZINC001606703196 1018870180 /nfs/dbraw/zinc/87/01/80/1018870180.db2.gz LSKSLVMKNBXITI-ZDUSSCGKSA-N -1 0 317.411 -0.631 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001606698193 1018870685 /nfs/dbraw/zinc/87/06/85/1018870685.db2.gz UFNDCILOCVXYJO-ISTVAULSSA-N -1 0 314.338 -0.498 20 0 DBADRM COC1(CNC(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)CCC1 ZINC001606714212 1018871178 /nfs/dbraw/zinc/87/11/78/1018871178.db2.gz HMLFUIJCXGQSDV-AWEZNQCLSA-N -1 0 314.338 -0.626 20 0 DBADRM COC1(C(=O)O[C@H]2CCCC[C@H]2C(=O)[O-])CS(=O)(=O)C1 ZINC001606705557 1018871872 /nfs/dbraw/zinc/87/18/72/1018871872.db2.gz CTSNLPYTFSIMTL-BDAKNGLRSA-N -1 0 306.336 -0.013 20 0 DBADRM COC1(C(=O)O[C@H]2CCC[C@@H](C(=O)[O-])C2)CS(=O)(=O)C1 ZINC001606707575 1018871706 /nfs/dbraw/zinc/87/17/06/1018871706.db2.gz YADDAEXGROMMRL-BDAKNGLRSA-N -1 0 306.336 -0.013 20 0 DBADRM CO[C@@H]1CC[C@@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001606732403 1018872510 /nfs/dbraw/zinc/87/25/10/1018872510.db2.gz CHFHPILNEZIUBJ-AXTSPUMRSA-N -1 0 301.343 -0.169 20 0 DBADRM CO[C@@H]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001606732546 1018872587 /nfs/dbraw/zinc/87/25/87/1018872587.db2.gz FVTYXDDXGKCGRT-HBNTYKKESA-N -1 0 314.338 -0.628 20 0 DBADRM COC1(OC)CCN(C(=O)c2ccnc(C(=O)[O-])c2)C[C@H]1O ZINC001606722581 1018873102 /nfs/dbraw/zinc/87/31/02/1018873102.db2.gz ILYWPVVMOZSJEV-LLVKDONJSA-N -1 0 310.306 -0.024 20 0 DBADRM CO[C@]1(CNC(=S)NCCCC(=O)[O-])CCS(=O)(=O)C1 ZINC001606717551 1018873133 /nfs/dbraw/zinc/87/31/33/1018873133.db2.gz OKDBVPMSGDKAJF-NSHDSACASA-N -1 0 324.424 -0.481 20 0 DBADRM COCC(=O)NCC1(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCOCC1 ZINC001606774544 1018874592 /nfs/dbraw/zinc/87/45/92/1018874592.db2.gz RTEDAMBDHURSIK-ZJUUUORDSA-N -1 0 314.338 -0.865 20 0 DBADRM COCC(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(C(=O)[O-])n1 ZINC001606774795 1018874819 /nfs/dbraw/zinc/87/48/19/1018874819.db2.gz ZWFSJKDFYCBYOP-VHSXEESVSA-N -1 0 308.338 -0.060 20 0 DBADRM COCC(=O)N(C)CC(=O)OCC(=O)c1cc(C(=O)[O-])co1 ZINC001606772133 1018875541 /nfs/dbraw/zinc/87/55/41/1018875541.db2.gz OWBPTJFRTNVWNF-UHFFFAOYSA-N -1 0 313.262 -0.192 20 0 DBADRM COCC(=O)N(C)CC(=O)NC(C)(C)c1nocc1C(=O)[O-] ZINC001606771233 1018875693 /nfs/dbraw/zinc/87/56/93/1018875693.db2.gz BUZDPELVOOCSDD-UHFFFAOYSA-N -1 0 313.310 -0.171 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-])OC ZINC001606800181 1018879773 /nfs/dbraw/zinc/87/97/73/1018879773.db2.gz FCEZVLRXHQDZHV-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)CN1CCOCC1 ZINC001606779654 1018876431 /nfs/dbraw/zinc/87/64/31/1018876431.db2.gz GOPWUYMHFSCXTJ-FZMZJTMJSA-N -1 0 302.371 -0.049 20 0 DBADRM COC[C@H](C)CNC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001606797079 1018877875 /nfs/dbraw/zinc/87/78/75/1018877875.db2.gz FEKKLANRLAWCDJ-BBBLOLIVSA-N -1 0 302.327 -0.216 20 0 DBADRM COC[C@H](C)C(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001606793169 1018877910 /nfs/dbraw/zinc/87/79/10/1018877910.db2.gz JNHXBJIJXOXJEV-VIFPVBQESA-N -1 0 308.338 -0.060 20 0 DBADRM COC[C@](C)(O)CCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001606792092 1018878404 /nfs/dbraw/zinc/87/84/04/1018878404.db2.gz IGBBHEOQEKZZAY-GBIKHYSHSA-N -1 0 304.343 -0.749 20 0 DBADRM COC[C@](C)(NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1)C(=O)[O-] ZINC001606787875 1018878419 /nfs/dbraw/zinc/87/84/19/1018878419.db2.gz IRJUEAGPAMBABH-MFKMUULPSA-N -1 0 310.310 -0.481 20 0 DBADRM COC[C@](C)(O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001606792621 1018878468 /nfs/dbraw/zinc/87/84/68/1018878468.db2.gz XFUBHOQAWCZUFL-CYBMUJFWSA-N -1 0 313.310 -0.825 20 0 DBADRM COC[C@@H](CCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])OC ZINC001606799831 1018878741 /nfs/dbraw/zinc/87/87/41/1018878741.db2.gz PVZULIJWEIILBF-MRVPVSSYSA-N -1 0 321.355 -0.254 20 0 DBADRM COC[C@@H](CCO)NS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001606800581 1018880116 /nfs/dbraw/zinc/88/01/16/1018880116.db2.gz NKVIHGOOJDUCTL-SNVBAGLBSA-N -1 0 309.384 -0.052 20 0 DBADRM O=C(NCCc1n[n-]c(=S)o1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001606802471 1018880297 /nfs/dbraw/zinc/88/02/97/1018880297.db2.gz SJCYRBZNBKEZMC-UHFFFAOYSA-N -1 0 306.311 -0.161 20 0 DBADRM COC[C@H](NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1)C1CC1 ZINC001606805183 1018881051 /nfs/dbraw/zinc/88/10/51/1018881051.db2.gz KBKUZXZWFCWPHV-DVVUODLYSA-N -1 0 314.338 -0.772 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)[C@H]1CCCO1 ZINC001606816273 1018881178 /nfs/dbraw/zinc/88/11/78/1018881178.db2.gz UGKMSFOCICMYKZ-DTWKUNHWSA-N -1 0 319.339 -0.420 20 0 DBADRM COC[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)C1CCOCC1 ZINC001606808697 1018881201 /nfs/dbraw/zinc/88/12/01/1018881201.db2.gz ACDRBHSKOBWUOV-VXGBXAGGSA-N -1 0 316.354 -0.077 20 0 DBADRM COC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)[O-] ZINC001606812634 1018881505 /nfs/dbraw/zinc/88/15/05/1018881505.db2.gz FOFOURFBPIWRAL-SECBINFHSA-N -1 0 319.339 -0.906 20 0 DBADRM COC[C@H](NC(=O)NCCOCC(=O)[O-])[C@H]1CCCOC1 ZINC001606807749 1018881553 /nfs/dbraw/zinc/88/15/53/1018881553.db2.gz QFFWAPFTCDXLIX-QWRGUYRKSA-N -1 0 304.343 -0.172 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C(=O)[O-] ZINC001606814055 1018881625 /nfs/dbraw/zinc/88/16/25/1018881625.db2.gz ZWFWSGHXEAUCLM-QEYWKRMJSA-N -1 0 305.352 -0.442 20 0 DBADRM COC[C@H](NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C)C(=O)[O-] ZINC001606809103 1018881713 /nfs/dbraw/zinc/88/17/13/1018881713.db2.gz GYWOLFBVCOZHJF-JTQLQIEISA-N -1 0 322.321 -0.190 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1N)C(=O)[O-] ZINC001606813545 1018881965 /nfs/dbraw/zinc/88/19/65/1018881965.db2.gz URRTZCZUVQMNHN-SNVBAGLBSA-N -1 0 316.335 -0.498 20 0 DBADRM COC[C@H](NC(=O)[C@H](C(C)C)N1CCCS1(=O)=O)C(=O)[O-] ZINC001606806641 1018882009 /nfs/dbraw/zinc/88/20/09/1018882009.db2.gz XTZYJEVDURSRPX-UWVGGRQHSA-N -1 0 322.383 -0.738 20 0 DBADRM COC[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)[C@H]1CCCOC1 ZINC001606808997 1018882027 /nfs/dbraw/zinc/88/20/27/1018882027.db2.gz DUVVZOVDDIEKFD-GXSJLCMTSA-N -1 0 312.326 -0.466 20 0 DBADRM COC[C@H](NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O)C(=O)[O-] ZINC001606806642 1018882308 /nfs/dbraw/zinc/88/23/08/1018882308.db2.gz XTZYJEVDURSRPX-VHSXEESVSA-N -1 0 322.383 -0.738 20 0 DBADRM COCC1(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001606821388 1018882508 /nfs/dbraw/zinc/88/25/08/1018882508.db2.gz CLBIGOQTAHSPIE-GHMZBOCLSA-N -1 0 310.350 -0.197 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCCN1C(=O)[C@@H]1CSCC(=O)N1 ZINC001606826836 1018883883 /nfs/dbraw/zinc/88/38/83/1018883883.db2.gz AEWGTBHFJVRLQL-ZANVPECISA-N -1 0 316.379 -0.300 20 0 DBADRM COC[C@]1(C(=O)OC)CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001606834512 1018883932 /nfs/dbraw/zinc/88/39/32/1018883932.db2.gz ICSCMVIKMWFOBU-BFVZDQMLSA-N -1 0 315.322 -0.201 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CCN=C2C1=NNN2C ZINC001606829928 1018884751 /nfs/dbraw/zinc/88/47/51/1018884751.db2.gz DPYKAFAYNGVDNS-XPTSAGLGSA-N -1 0 323.353 -0.697 20 0 DBADRM COCC1(O)CCN(C(=O)C(=O)NCCCCC(=O)[O-])CC1 ZINC001606842755 1018885670 /nfs/dbraw/zinc/88/56/70/1018885670.db2.gz RGOOOSXAOSVALP-UHFFFAOYSA-N -1 0 316.354 -0.643 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN(CC(=O)[O-])CC(C)C)C1=O ZINC001606836272 1018885821 /nfs/dbraw/zinc/88/58/21/1018885821.db2.gz BPXLDDIEOHSZSY-CYBMUJFWSA-N -1 0 301.343 -0.057 20 0 DBADRM COC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC001606846005 1018885874 /nfs/dbraw/zinc/88/58/74/1018885874.db2.gz ONUWFSCLVYGVCX-MYQWFSQQSA-N -1 0 310.350 -0.007 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C1 ZINC001606842732 1018885923 /nfs/dbraw/zinc/88/59/23/1018885923.db2.gz QNQUQOKCMYGXNI-UHFFFAOYSA-N -1 0 305.308 -0.332 20 0 DBADRM COCC1(S(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)CCC1 ZINC001606842669 1018885938 /nfs/dbraw/zinc/88/59/38/1018885938.db2.gz NFZFXGRLMOTWCW-UHFFFAOYSA-N -1 0 307.368 -0.299 20 0 DBADRM COCC1(CS(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-])CCC1 ZINC001606840853 1018886114 /nfs/dbraw/zinc/88/61/14/1018886114.db2.gz DTEKFIYQWNXTIY-SECBINFHSA-N -1 0 309.384 -0.053 20 0 DBADRM COCC1(CNC(=O)NCCOCC(=O)[O-])CCOCC1 ZINC001606840090 1018886189 /nfs/dbraw/zinc/88/61/89/1018886189.db2.gz GDGBRASAGTXECW-UHFFFAOYSA-N -1 0 304.343 -0.170 20 0 DBADRM COCC1(S(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)CCC1 ZINC001606842737 1018886204 /nfs/dbraw/zinc/88/62/04/1018886204.db2.gz QOWSXRFHOOMTBV-NSHDSACASA-N -1 0 307.368 -0.034 20 0 DBADRM COC[C@@]1(C)CN(C(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])CCO1 ZINC001606836468 1018886762 /nfs/dbraw/zinc/88/67/62/1018886762.db2.gz FMMNZSLHTQCVCE-PKFCDNJMSA-N -1 0 314.338 -0.913 20 0 DBADRM COC[C@@H]1CCCN1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606846406 1018886934 /nfs/dbraw/zinc/88/69/34/1018886934.db2.gz CVGZZZBZLYMHQB-WDEREUQCSA-N -1 0 313.354 -0.548 20 0 DBADRM COCC[C@H](C)CNC(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001606852711 1018887312 /nfs/dbraw/zinc/88/73/12/1018887312.db2.gz ROCBDAURRVCNCM-HZMBPMFUSA-N -1 0 316.354 -0.523 20 0 DBADRM COCC[C@@](C)(O)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606852094 1018887694 /nfs/dbraw/zinc/88/76/94/1018887694.db2.gz AVCPVVNVWHCALU-QMTHXVAHSA-N -1 0 316.354 -0.787 20 0 DBADRM COC[C@@H]1CN(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])CCO1 ZINC001606848486 1018887878 /nfs/dbraw/zinc/88/78/78/1018887878.db2.gz QEBHFUSVDURFIK-DCAQKATOSA-N -1 0 302.327 -0.467 20 0 DBADRM COCCC(=O)N1C[C@H](C(=O)[O-])N(C(=O)CCOC)C[C@H]1C ZINC001606850298 1018888000 /nfs/dbraw/zinc/88/80/00/1018888000.db2.gz REMGVCMZCRIZFF-GHMZBOCLSA-N -1 0 316.354 -0.428 20 0 DBADRM COCC[C@@H](NC(=O)CCN1C(=O)C(C)=C(C)C1=O)C(=O)[O-] ZINC001606854690 1018888034 /nfs/dbraw/zinc/88/80/34/1018888034.db2.gz CQQHUTNLXSZYIS-SNVBAGLBSA-N -1 0 312.322 -0.312 20 0 DBADRM O=C(NOCCN1CCCC1=O)c1ccc(-c2nnn[n-]2)o1 ZINC001606863341 1018888859 /nfs/dbraw/zinc/88/88/59/1018888859.db2.gz WDMLQMIUGUWGPG-UHFFFAOYSA-N -1 0 306.282 -0.257 20 0 DBADRM COCC[C@@H](NC(=O)c1c(C)[nH]c(=O)[nH]c1=S)C(=O)[O-] ZINC001606856760 1018888989 /nfs/dbraw/zinc/88/89/89/1018888989.db2.gz HXXBJPJWRLKBGA-ZCFIWIBFSA-N -1 0 301.324 -0.001 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001606855519 1018889125 /nfs/dbraw/zinc/88/91/25/1018889125.db2.gz HVGOCHXBEHGVQX-CIUDSAMLSA-N -1 0 310.372 -0.691 20 0 DBADRM COCC[C@@H](CO)NC(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC001606856665 1018889385 /nfs/dbraw/zinc/88/93/85/1018889385.db2.gz SQPRZLKALVUDGQ-ZETCQYMHSA-N -1 0 316.335 -0.102 20 0 DBADRM COCC[C@@H](NC(=O)COc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC001606859268 1018889587 /nfs/dbraw/zinc/88/95/87/1018889587.db2.gz XBZAKZAJMRISGK-LLVKDONJSA-N -1 0 310.306 -0.230 20 0 DBADRM COCC[C@H](NC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC001606858717 1018889715 /nfs/dbraw/zinc/88/97/15/1018889715.db2.gz AQDMZABZONOBAB-ZETCQYMHSA-N -1 0 305.308 -0.097 20 0 DBADRM COCCCOCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001606871227 1018890656 /nfs/dbraw/zinc/89/06/56/1018890656.db2.gz FLIZYIMWNZZPFH-MNOVXSKESA-N -1 0 317.338 -0.096 20 0 DBADRM O=C(N[C@H]1CCCNC1=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001606879470 1018890962 /nfs/dbraw/zinc/89/09/62/1018890962.db2.gz KCBCQPNKAARHRX-VIFPVBQESA-N -1 0 302.294 -0.419 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1=O ZINC001606893903 1018891791 /nfs/dbraw/zinc/89/17/91/1018891791.db2.gz YXIJKQRZFCIVQG-DTWKUNHWSA-N -1 0 320.292 -0.198 20 0 DBADRM COCCN(CCC(=O)OC)C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001606888992 1018892280 /nfs/dbraw/zinc/89/22/80/1018892280.db2.gz HDKVIIWCKNXOKL-UHFFFAOYSA-N -1 0 313.310 -0.381 20 0 DBADRM COCCN(CC(=O)Nc1cccc(C(=O)[O-])n1)[C@H](C)C(N)=O ZINC001606881513 1018892615 /nfs/dbraw/zinc/89/26/15/1018892615.db2.gz ZVOWBDRQDKIXLR-SECBINFHSA-N -1 0 324.337 -0.460 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CNC(=O)c1cccc(O)c1 ZINC001606881732 1018892835 /nfs/dbraw/zinc/89/28/35/1018892835.db2.gz DXVQBMIXRUIOHJ-UHFFFAOYSA-N -1 0 310.306 -0.318 20 0 DBADRM COCCOCC(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001606901160 1018893485 /nfs/dbraw/zinc/89/34/85/1018893485.db2.gz SAXYXDRSZWRYNP-LLVKDONJSA-N -1 0 324.337 -0.149 20 0 DBADRM COCCN1CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])CC1 ZINC001606895741 1018894100 /nfs/dbraw/zinc/89/41/00/1018894100.db2.gz XLIDIDGTPSXFGF-CYBMUJFWSA-N -1 0 315.414 -0.134 20 0 DBADRM COCCOCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001606900096 1018894116 /nfs/dbraw/zinc/89/41/16/1018894116.db2.gz CJUBNIMZMSWDJX-VHSXEESVSA-N -1 0 303.311 -0.486 20 0 DBADRM COCCOCC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001606901386 1018894153 /nfs/dbraw/zinc/89/41/53/1018894153.db2.gz YKFHGGGIFLAXIP-NXEZZACHSA-N -1 0 303.311 -0.486 20 0 DBADRM COCCO[C@H]1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001606900030 1018894216 /nfs/dbraw/zinc/89/42/16/1018894216.db2.gz AVJFMPPSBGDRMG-GARJFASQSA-N -1 0 307.368 -0.083 20 0 DBADRM COCCN1CN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1=O ZINC001606895567 1018894366 /nfs/dbraw/zinc/89/43/66/1018894366.db2.gz RQKMADFQJXPSGO-UHFFFAOYSA-N -1 0 308.356 -0.825 20 0 DBADRM COCCOCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001606900098 1018894506 /nfs/dbraw/zinc/89/45/06/1018894506.db2.gz CJUBNIMZMSWDJX-ZJUUUORDSA-N -1 0 303.311 -0.486 20 0 DBADRM COCCc1nc(CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)no1 ZINC001606925364 1018894902 /nfs/dbraw/zinc/89/49/02/1018894902.db2.gz UQWAPPPLBINZPM-VIFPVBQESA-N -1 0 322.325 -0.005 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@@H]1OC ZINC001607005164 1018907805 /nfs/dbraw/zinc/90/78/05/1018907805.db2.gz AUZLCUAXUWEIET-YTWAJWBKSA-N -1 0 307.368 -0.085 20 0 DBADRM COCCn1c(C[C@@H](C)O)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001606927917 1018895346 /nfs/dbraw/zinc/89/53/46/1018895346.db2.gz VWMYWNWBJQZGOM-NOZJJQNGSA-N -1 0 316.333 -0.149 20 0 DBADRM COCCn1c(-c2cn(C)nn2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001606928351 1018895704 /nfs/dbraw/zinc/89/57/04/1018895704.db2.gz WDIFYCYRRAQZLA-VIFPVBQESA-N -1 0 321.341 -0.369 20 0 DBADRM COCCc1nc(Cn2nc(C(=O)OC)cc2C(=O)[O-])no1 ZINC001606925484 1018895772 /nfs/dbraw/zinc/89/57/72/1018895772.db2.gz ZMZBVHWKBXIOEC-UHFFFAOYSA-N -1 0 310.266 -0.012 20 0 DBADRM COCCOCCS(=O)(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001606906989 1018895807 /nfs/dbraw/zinc/89/58/07/1018895807.db2.gz VXGCAHYRTVIESU-UHFFFAOYSA-N -1 0 318.351 -0.138 20 0 DBADRM COCCn1nnc2c1CCN(c1cc(C(=O)[O-])ncn1)C2 ZINC001606933901 1018896346 /nfs/dbraw/zinc/89/63/46/1018896346.db2.gz RNJAGIWONZPFAB-UHFFFAOYSA-N -1 0 304.310 -0.025 20 0 DBADRM COCCn1cc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c(C)n1 ZINC001606929267 1018896787 /nfs/dbraw/zinc/89/67/87/1018896787.db2.gz KPEGBMGCDCEGPC-MNOVXSKESA-N -1 0 311.338 -0.254 20 0 DBADRM COC[C@@H](C(N)=O)N(C)CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC001606937178 1018896952 /nfs/dbraw/zinc/89/69/52/1018896952.db2.gz PGEIPTJKLBYHDO-LBPRGKRZSA-N -1 0 323.349 -0.220 20 0 DBADRM COCCn1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)nn1 ZINC001606929491 1018896964 /nfs/dbraw/zinc/89/69/64/1018896964.db2.gz PVKBUFAPJZKVGU-UHFFFAOYSA-N -1 0 312.326 -0.370 20 0 DBADRM COCOc1ccc(NC(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001606935061 1018897015 /nfs/dbraw/zinc/89/70/15/1018897015.db2.gz SNYKHOFEFXDVPV-UHFFFAOYSA-N -1 0 311.294 -0.008 20 0 DBADRM COCCn1cc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)ccc1=O ZINC001606929166 1018897274 /nfs/dbraw/zinc/89/72/74/1018897274.db2.gz HKORCOJSIVFROV-OAHLLOKOSA-N -1 0 324.333 -0.142 20 0 DBADRM COCCn1cc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)ccc1=O ZINC001606929378 1018897559 /nfs/dbraw/zinc/89/75/59/1018897559.db2.gz PGWIBXZQJMGPQB-PWSUYJOCSA-N -1 0 324.333 -0.191 20 0 DBADRM COC[C@@H](C(N)=O)N(C)CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001606937348 1018897570 /nfs/dbraw/zinc/89/75/70/1018897570.db2.gz RYWTZYTVPATSKQ-VIFPVBQESA-N -1 0 311.338 -0.055 20 0 DBADRM COCCn1cc(CNC(=O)Cn2ccc(C(=O)[O-])n2)cn1 ZINC001606931698 1018897581 /nfs/dbraw/zinc/89/75/81/1018897581.db2.gz ZZVYAWODOCVZAR-UHFFFAOYSA-N -1 0 307.310 -0.259 20 0 DBADRM COCCn1cc(C(=O)N2C[C@H](OC)C[C@]2(C)C(=O)[O-])nn1 ZINC001606929555 1018897589 /nfs/dbraw/zinc/89/75/89/1018897589.db2.gz SJCAWDUWJIUAAJ-NOZJJQNGSA-N -1 0 312.326 -0.371 20 0 DBADRM COC[C@H]1C[C@@H](n2nnnc2N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001606939241 1018898117 /nfs/dbraw/zinc/89/81/17/1018898117.db2.gz SUJUTMSPHOIDCG-ZNSHCXBVSA-N -1 0 311.342 -0.051 20 0 DBADRM COCc1ccc(CNC(=O)CN2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001606960620 1018898466 /nfs/dbraw/zinc/89/84/66/1018898466.db2.gz TXPDSPDLTFRGFG-ZIAGYGMSSA-N -1 0 322.361 -0.031 20 0 DBADRM COC[C@H](O)CNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001606939353 1018898953 /nfs/dbraw/zinc/89/89/53/1018898953.db2.gz XGZITJGSKKVQGX-SSDOTTSWSA-N -1 0 314.269 -0.414 20 0 DBADRM CON(C)C(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001606989535 1018899997 /nfs/dbraw/zinc/89/99/97/1018899997.db2.gz IUQYXHUCAGKUSC-ZETCQYMHSA-N -1 0 319.339 -0.590 20 0 DBADRM CON(C)C(=O)[C@@H](C)N1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001606990113 1018900719 /nfs/dbraw/zinc/90/07/19/1018900719.db2.gz MFORRPNEVLHRCK-HLTSFMKQSA-N -1 0 313.310 -0.478 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001606989909 1018902014 /nfs/dbraw/zinc/90/20/14/1018902014.db2.gz HMOCLSCGPCCNQU-UHFFFAOYSA-N -1 0 305.312 -0.979 20 0 DBADRM COCc1n[nH]c(CNC(=O)CCCn2ccc(C(=O)[O-])n2)n1 ZINC001606980609 1018902493 /nfs/dbraw/zinc/90/24/93/1018902493.db2.gz CRGSQGULMYFKMD-UHFFFAOYSA-N -1 0 322.325 -0.058 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3ncncc3C(=O)[O-])C[C@H]21 ZINC001606999612 1018904283 /nfs/dbraw/zinc/90/42/83/1018904283.db2.gz XWKNCWQEVHXHOC-AEJSXWLSSA-N -1 0 313.335 -0.577 20 0 DBADRM CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001606997874 1018905279 /nfs/dbraw/zinc/90/52/79/1018905279.db2.gz PFADRISDTBPIHV-IUCAKERBSA-N -1 0 320.342 -0.522 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001606999139 1018905394 /nfs/dbraw/zinc/90/53/94/1018905394.db2.gz HGPJCTOQXFLYKG-GIPNMCIBSA-N -1 0 302.327 -0.325 20 0 DBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001607000125 1018906139 /nfs/dbraw/zinc/90/61/39/1018906139.db2.gz UGWZWYVWPQQRNI-VHSXEESVSA-N -1 0 302.308 -0.528 20 0 DBADRM CON1CCC(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1 ZINC001606994887 1018906212 /nfs/dbraw/zinc/90/62/12/1018906212.db2.gz WIHBAQUNSRVOPC-KOLCDFICSA-N -1 0 301.343 -0.511 20 0 DBADRM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC(N2CC[C@@H](O)C2)C1 ZINC001607016972 1018912251 /nfs/dbraw/zinc/91/22/51/1018912251.db2.gz JUUJIHLITXZHEQ-SECBINFHSA-N -1 0 304.310 -0.649 20 0 DBADRM COc1c(F)nccc1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001607009393 1018912862 /nfs/dbraw/zinc/91/28/62/1018912862.db2.gz BSEHRFYADBFZBI-UHFFFAOYSA-N -1 0 309.257 -0.051 20 0 DBADRM O=S(=O)(NC[C@@H]1CCC[C@H]1O)c1cccnc1-c1nnn[n-]1 ZINC001607066734 1018935908 /nfs/dbraw/zinc/93/59/08/1018935908.db2.gz UMRBILNKQSZSOK-DTWKUNHWSA-N -1 0 324.366 -0.299 20 0 DBADRM O=S(=O)(N[C@H](CO)CCF)c1ccsc1-c1nnn[n-]1 ZINC001607062506 1018935972 /nfs/dbraw/zinc/93/59/72/1018935972.db2.gz IEQJAABWTQUPPB-LURJTMIESA-N -1 0 321.359 -0.073 20 0 DBADRM O=S(=O)(NC1CC(CO)C1)c1cccnc1-c1nnn[n-]1 ZINC001607060891 1018939959 /nfs/dbraw/zinc/93/99/59/1018939959.db2.gz WSFARTIVHKQKRE-UHFFFAOYSA-N -1 0 310.339 -0.689 20 0 DBADRM O=S(=O)(NCc1cocn1)c1cccnc1-c1nnn[n-]1 ZINC001607066949 1018940023 /nfs/dbraw/zinc/94/00/23/1018940023.db2.gz LEOJPVUHVHZOIO-UHFFFAOYSA-N -1 0 307.295 -0.272 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H](O)CC1 ZINC001607071546 1018943167 /nfs/dbraw/zinc/94/31/67/1018943167.db2.gz RDZVCWYFFCXBHR-QMMMGPOBSA-N -1 0 313.339 -0.005 20 0 DBADRM COc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)ncn1 ZINC001607068440 1018943705 /nfs/dbraw/zinc/94/37/05/1018943705.db2.gz VODKHCRLLBTAGH-RKDXNWHRSA-N -1 0 320.305 -0.854 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H](O)CC1 ZINC001607071545 1018944415 /nfs/dbraw/zinc/94/44/15/1018944415.db2.gz RDZVCWYFFCXBHR-MRVPVSSYSA-N -1 0 313.339 -0.005 20 0 DBADRM O=S(=O)(c1ccsc1-c1nnn[n-]1)N1C[C@H]2C[C@@]2(O)C1 ZINC001607074080 1018946550 /nfs/dbraw/zinc/94/65/50/1018946550.db2.gz JRVKZKDVDDAUKK-LHLIQPBNSA-N -1 0 313.364 -0.317 20 0 DBADRM O=S1(=O)C[C@H]2CN(c3ccnc(-c4nnn[n-]4)n3)CC[C@@H]2C1 ZINC001607074939 1018949276 /nfs/dbraw/zinc/94/92/76/1018949276.db2.gz RCDBTWDDAOOACK-RKDXNWHRSA-N -1 0 321.366 -0.472 20 0 DBADRM COc1cc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])ncn1 ZINC001607076479 1018950264 /nfs/dbraw/zinc/95/02/64/1018950264.db2.gz ZRWHCCVXQZEIQC-MRVPVSSYSA-N -1 0 311.294 -0.179 20 0 DBADRM COc1cc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)on1 ZINC001607079283 1018950888 /nfs/dbraw/zinc/95/08/88/1018950888.db2.gz CDKOPZUTPZFUKJ-UHFFFAOYSA-N -1 0 307.266 -0.565 20 0 DBADRM O=c1c(-c2nnn[n-]2)cnc2ncn(CCC3(O)CCC3)n21 ZINC001607090172 1018957370 /nfs/dbraw/zinc/95/73/70/1018957370.db2.gz ZGRGMBMPOOYTEM-UHFFFAOYSA-N -1 0 302.298 -0.624 20 0 DBADRM O=c1c(-c2nnn[n-]2)cn(CCO)c(=O)n1CCCCCF ZINC001607092448 1018957563 /nfs/dbraw/zinc/95/75/63/1018957563.db2.gz UMKBVRNVQGNQDB-UHFFFAOYSA-N -1 0 312.305 -0.678 20 0 DBADRM O=c1cc(CN2CCC[C@@H](O)C2)nc2c(-c3nn[nH]n3)c[n-]n21 ZINC001607110756 1018972670 /nfs/dbraw/zinc/97/26/70/1018972670.db2.gz HSKLWGFKWCYTTE-SECBINFHSA-N -1 0 316.325 -0.428 20 0 DBADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)N(C)CC(N)=O)c1 ZINC001607213811 1018980242 /nfs/dbraw/zinc/98/02/42/1018980242.db2.gz YDYJBNUWGJIFOA-UHFFFAOYSA-N -1 0 302.308 -0.501 20 0 DBADRM COc1ccc(C(=O)NCCCC(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC001607206460 1018980456 /nfs/dbraw/zinc/98/04/56/1018980456.db2.gz FQGCRENELMBYSL-LBPRGKRZSA-N -1 0 324.333 -0.233 20 0 DBADRM COc1ccc(-n2cc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)nn2)cc1 ZINC001607199230 1018980469 /nfs/dbraw/zinc/98/04/69/1018980469.db2.gz FQPKPZSNQJJSQD-PELKAZGASA-N -1 0 320.305 -0.160 20 0 DBADRM COc1cc(S(=O)(=O)N=c2nc[nH]n2C)ccc1C(=O)[O-] ZINC001607189489 1018980638 /nfs/dbraw/zinc/98/06/38/1018980638.db2.gz DAHJZXBSXIJPPO-UHFFFAOYSA-N -1 0 312.307 -0.255 20 0 DBADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)NCCNC(C)=O)c1 ZINC001607214015 1018980937 /nfs/dbraw/zinc/98/09/37/1018980937.db2.gz UFYBPWJPRDOMGC-UHFFFAOYSA-N -1 0 316.335 -0.192 20 0 DBADRM COc1cc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)ncn1 ZINC001607170193 1018981113 /nfs/dbraw/zinc/98/11/13/1018981113.db2.gz BIBZQZYRTPUJCO-SFYZADRCSA-N -1 0 324.293 -0.876 20 0 DBADRM COc1cc(OC)cc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001607185798 1018981149 /nfs/dbraw/zinc/98/11/49/1018981149.db2.gz FRDNAPQNBFENCE-QMMMGPOBSA-N -1 0 319.335 -0.182 20 0 DBADRM COc1ccc(CC(=O)NCCC(=O)NCCC(=O)[O-])nc1 ZINC001607242157 1018981377 /nfs/dbraw/zinc/98/13/77/1018981377.db2.gz XWCCHHCPVBMQPN-UHFFFAOYSA-N -1 0 309.322 -0.270 20 0 DBADRM COc1cc(CCC(=O)NC[C@H](O)C(=O)[O-])cc(OC)c1O ZINC001607155336 1018981520 /nfs/dbraw/zinc/98/15/20/1018981520.db2.gz CQYWKFGFAHYZGD-VIFPVBQESA-N -1 0 313.306 -0.096 20 0 DBADRM COc1ccc([C@@H](NC(=O)CN2CCOCC2=O)C(=O)[O-])cc1 ZINC001607228031 1018982127 /nfs/dbraw/zinc/98/21/27/1018982127.db2.gz YRFGTRAXRIABSL-CQSZACIVSA-N -1 0 322.317 -0.204 20 0 DBADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)N2CC(C(N)=O)C2)c1 ZINC001607213557 1018982184 /nfs/dbraw/zinc/98/21/84/1018982184.db2.gz XBBGQUQBTWRZHW-UHFFFAOYSA-N -1 0 314.319 -0.501 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)ncn1 ZINC001607170816 1018982258 /nfs/dbraw/zinc/98/22/58/1018982258.db2.gz HMNYFQGVQKCCDK-ZDUSSCGKSA-N -1 0 324.293 -0.874 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)nc1 ZINC001607252159 1018982758 /nfs/dbraw/zinc/98/27/58/1018982758.db2.gz LOODVVFNFNKIEE-VIFPVBQESA-N -1 0 307.306 -0.361 20 0 DBADRM COc1cccc(C2=NO[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])C2)c1 ZINC001607315222 1018983048 /nfs/dbraw/zinc/98/30/48/1018983048.db2.gz BCOVWFWMJGNQBM-NWDGAFQWSA-N -1 0 308.290 -0.250 20 0 DBADRM COc1cccc([C@@H](O)C(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC001607312780 1018984906 /nfs/dbraw/zinc/98/49/06/1018984906.db2.gz JEBHELVCGZKJER-CQSZACIVSA-N -1 0 308.334 -0.043 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N(C)C[C@@H](C)O)cc1C(=O)[O-] ZINC001607251946 1018985170 /nfs/dbraw/zinc/98/51/70/1018985170.db2.gz GGVPABCQPQCSIE-SECBINFHSA-N -1 0 324.333 -0.151 20 0 DBADRM COc1ccc2nc(CN3CCNC(=O)[C@H]3CC(=O)[O-])[nH]c2n1 ZINC001607300710 1018985260 /nfs/dbraw/zinc/98/52/60/1018985260.db2.gz SFZFFPNBZCILAD-SECBINFHSA-N -1 0 319.321 -0.258 20 0 DBADRM COc1cncc(CN2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001607354169 1018986180 /nfs/dbraw/zinc/98/61/80/1018986180.db2.gz JQDNLADZMHYFCQ-MNOVXSKESA-N -1 0 306.322 -0.494 20 0 DBADRM COc1ccnc(NCCN(CCO)C(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001607350647 1018986199 /nfs/dbraw/zinc/98/61/99/1018986199.db2.gz BYDLWRVFSXFMCA-NXEZZACHSA-N -1 0 324.337 -0.561 20 0 DBADRM COc1cccc([C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(=O)[O-])c1 ZINC001607330974 1018986408 /nfs/dbraw/zinc/98/64/08/1018986408.db2.gz FMZWUDYDMJTWEK-ONGXEEELSA-N -1 0 321.289 -0.465 20 0 DBADRM COc1nc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)co1 ZINC001607354851 1018986984 /nfs/dbraw/zinc/98/69/84/1018986984.db2.gz FLAXUVBZZXGKOL-RKDXNWHRSA-N -1 0 323.305 -0.408 20 0 DBADRM COc1cccnc1CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001607348531 1018987039 /nfs/dbraw/zinc/98/70/39/1018987039.db2.gz MHDQMKUSKQJEMC-UHFFFAOYSA-N -1 0 324.337 -0.130 20 0 DBADRM COc1cncc(NC(=O)C(=O)N[C@]2(CC(=O)[O-])CCOC2)n1 ZINC001607356307 1018987161 /nfs/dbraw/zinc/98/71/61/1018987161.db2.gz QJBRJOKPTPDRLW-ZDUSSCGKSA-N -1 0 324.293 -0.826 20 0 DBADRM COc1ccnc(CNS(=O)(=O)N(C)CCC(=O)[O-])c1 ZINC001607351163 1018987250 /nfs/dbraw/zinc/98/72/50/1018987250.db2.gz STMOYVKTMOZHTN-UHFFFAOYSA-N -1 0 303.340 -0.169 20 0 DBADRM COc1cncc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC001607353846 1018987312 /nfs/dbraw/zinc/98/73/12/1018987312.db2.gz CTPMRHUEDWWVLY-LLVKDONJSA-N -1 0 300.336 -0.226 20 0 DBADRM COc1cncc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])n1 ZINC001607352867 1018987345 /nfs/dbraw/zinc/98/73/45/1018987345.db2.gz FIDPUGSGCYHEOK-QMMMGPOBSA-N -1 0 311.294 -0.179 20 0 DBADRM COc1coc(CN2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cc1=O ZINC001607354916 1018987747 /nfs/dbraw/zinc/98/77/47/1018987747.db2.gz HAJKJKAMVUPHEK-GHMZBOCLSA-N -1 0 322.317 -0.331 20 0 DBADRM COc1nc(C(=O)N2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)co1 ZINC001607354850 1018988604 /nfs/dbraw/zinc/98/86/04/1018988604.db2.gz FLAXUVBZZXGKOL-IUCAKERBSA-N -1 0 323.305 -0.408 20 0 DBADRM COc1ccccc1C[C@H](CNC(=O)C1(O)COC1)C(=O)[O-] ZINC001607340758 1018988622 /nfs/dbraw/zinc/98/86/22/1018988622.db2.gz CUQHUTOERWBKLV-LLVKDONJSA-N -1 0 309.318 -0.184 20 0 DBADRM COc1cncc(NC(=O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)n1 ZINC001607356306 1018988649 /nfs/dbraw/zinc/98/86/49/1018988649.db2.gz QJBRJOKPTPDRLW-CYBMUJFWSA-N -1 0 324.293 -0.826 20 0 DBADRM COc1nnccc1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001607363948 1018989611 /nfs/dbraw/zinc/98/96/11/1018989611.db2.gz WLYGOLNNXOGZLZ-MRVPVSSYSA-N -1 0 308.294 -0.253 20 0 DBADRM COc1nsc(CN2CCO[C@H](CC(N)=O)C2)c1C(=O)[O-] ZINC001607364437 1018989727 /nfs/dbraw/zinc/98/97/27/1018989727.db2.gz XCPDQYKVQKBCTF-SSDOTTSWSA-N -1 0 315.351 -0.074 20 0 DBADRM COc1ncccc1C(=O)COC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001607360918 1018990853 /nfs/dbraw/zinc/99/08/53/1018990853.db2.gz OAQAEGLXFGDAFL-UHFFFAOYSA-N -1 0 320.261 -0.194 20 0 DBADRM COc1nn(C)cc1CNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001607362229 1018991523 /nfs/dbraw/zinc/99/15/23/1018991523.db2.gz GCGOAJZFXDUGBR-PSASIEDQSA-N -1 0 312.326 -0.282 20 0 DBADRM CS(=O)(=O)Cc1nc(C(=O)NCCOCC(=O)[O-])co1 ZINC001607370878 1018992583 /nfs/dbraw/zinc/99/25/83/1018992583.db2.gz MNQOOQXVTVTVLX-UHFFFAOYSA-N -1 0 306.296 -0.950 20 0 DBADRM CS(=O)(=O)CCCn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC001607368553 1018992635 /nfs/dbraw/zinc/99/26/35/1018992635.db2.gz GVCFIYBJAPYNNY-UHFFFAOYSA-N -1 0 314.323 -0.888 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N2CC(O)(C(=O)[O-])C2)CCC1 ZINC001607369361 1018993778 /nfs/dbraw/zinc/99/37/78/1018993778.db2.gz ZNBXZPGRUCUQFK-UHFFFAOYSA-N -1 0 320.367 -0.958 20 0 DBADRM CS(=O)(=O)CCC(=O)NC[C@H](Cc1ccncc1)C(=O)[O-] ZINC001607370135 1018993852 /nfs/dbraw/zinc/99/38/52/1018993852.db2.gz ULSQMLWZJXIVAK-NSHDSACASA-N -1 0 314.363 -0.124 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])no2)CCO1 ZINC001607369607 1018993984 /nfs/dbraw/zinc/99/39/84/1018993984.db2.gz JRAMUUVGLUOCRI-ZETCQYMHSA-N -1 0 318.307 -0.742 20 0 DBADRM CS(=O)(=O)C1(CN2C(=O)N[C@H](CCC(=O)[O-])C2=O)CCC1 ZINC001607367335 1018994208 /nfs/dbraw/zinc/99/42/08/1018994208.db2.gz VERQPAHYIIWUQG-MRVPVSSYSA-N -1 0 318.351 -0.261 20 0 DBADRM CS(=O)(=O)CC1(COC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC001607369011 1018994419 /nfs/dbraw/zinc/99/44/19/1018994419.db2.gz JPNMAMFHQZKOEO-DTWKUNHWSA-N -1 0 306.336 -0.013 20 0 DBADRM CS(=O)(=O)CCN1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001607370919 1018994616 /nfs/dbraw/zinc/99/46/16/1018994616.db2.gz WUJNGWGYUDRORA-SFYZADRCSA-N -1 0 304.324 -0.842 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC001607369030 1018994765 /nfs/dbraw/zinc/99/47/65/1018994765.db2.gz KFOJKDUAEFCHON-UHFFFAOYSA-N -1 0 315.351 -0.478 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001502105578 1018995196 /nfs/dbraw/zinc/99/51/96/1018995196.db2.gz UJDRHCUHKPHCRG-ONGXEEELSA-N -1 0 324.385 -0.494 20 0 DBADRM CS(=O)(=O)NCCC(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001607374453 1018995696 /nfs/dbraw/zinc/99/56/96/1018995696.db2.gz WSXYNMQKFFOADJ-UHFFFAOYSA-N -1 0 321.380 -0.561 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1nc(C(=O)[O-])co1 ZINC001607371765 1018996267 /nfs/dbraw/zinc/99/62/67/1018996267.db2.gz GFLMHMKFQSAOIQ-MRVPVSSYSA-N -1 0 317.323 -0.587 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001607373231 1018996351 /nfs/dbraw/zinc/99/63/51/1018996351.db2.gz PCUCWXGARLVRQK-ALXWSUNGSA-N -1 0 316.379 -0.361 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC001607373374 1018996576 /nfs/dbraw/zinc/99/65/76/1018996576.db2.gz VJIDEBZQYKYXIB-UHFFFAOYSA-N -1 0 316.379 -0.219 20 0 DBADRM CS(=O)(=O)NCC1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001607374053 1018997643 /nfs/dbraw/zinc/99/76/43/1018997643.db2.gz PGGWPMJQRPBFJU-UHFFFAOYSA-N -1 0 314.367 -0.060 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)/C=C/[C@@H]1CCOC1)C(=O)[O-] ZINC001607377841 1018998435 /nfs/dbraw/zinc/99/84/35/1018998435.db2.gz SWVNDFTZCSXJGM-LWCBWBBKSA-N -1 0 317.363 -0.417 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)C1(C(=O)[O-])CC1 ZINC001607375831 1018998451 /nfs/dbraw/zinc/99/84/51/1018998451.db2.gz ZXSWXCGCLWSXHN-BDAKNGLRSA-N -1 0 304.368 -0.315 20 0 DBADRM CS(=O)(=O)c1ccnc(N2CCOC[C@@H]2CC(=O)[O-])n1 ZINC001607383297 1018998620 /nfs/dbraw/zinc/99/86/20/1018998620.db2.gz ULHJARPGLNIUSQ-QMMMGPOBSA-N -1 0 301.324 -0.440 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CCc1cn[nH]c1)C(=O)[O-] ZINC001607377338 1018998870 /nfs/dbraw/zinc/99/88/70/1018998870.db2.gz JUKNYQYJYCNUCH-JOYOIKCWSA-N -1 0 315.351 -0.654 20 0 DBADRM CS(=O)(=O)c1ccnc(NC[C@H]2CCO[C@H]2C(=O)[O-])n1 ZINC001607383214 1018999329 /nfs/dbraw/zinc/99/93/29/1018999329.db2.gz PGJQAKASVWCSDZ-VXNVDRBHSA-N -1 0 301.324 -0.218 20 0 DBADRM CS(=O)(=O)c1nccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)n1 ZINC001607382982 1018999341 /nfs/dbraw/zinc/99/93/41/1018999341.db2.gz AJSJBRZZUBDHSK-LLVKDONJSA-N -1 0 317.298 -0.481 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@]1(F)CCOC1)C(=O)[O-] ZINC001607377735 1018999373 /nfs/dbraw/zinc/99/93/73/1018999373.db2.gz QOXJGLXAWTZFLF-XROYCOCOSA-N -1 0 309.315 -0.881 20 0 DBADRM CSC[C@@](C)(O)CNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001607392692 1019002543 /nfs/dbraw/zinc/00/25/43/1019002543.db2.gz IOGCAORABHNULB-NSHDSACASA-N -1 0 317.371 -0.611 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CCn1cnc2ccccc2c1=O)C(=O)[O-] ZINC001607423840 1019003660 /nfs/dbraw/zinc/00/36/60/1019003660.db2.gz GKYFYWITJSRHCS-RNCFNFMXSA-N -1 0 319.317 -0.263 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001607418558 1019003900 /nfs/dbraw/zinc/00/39/00/1019003900.db2.gz CSJBENGKEXGUAY-WCBMZHEXSA-N -1 0 321.337 -0.240 20 0 DBADRM CSCC[C@@H](OC(=O)Cn1cnc(C(N)=O)n1)C(=O)[O-] ZINC001607398089 1019004258 /nfs/dbraw/zinc/00/42/58/1019004258.db2.gz CISGDMJBJQCJIN-ZCFIWIBFSA-N -1 0 302.312 -0.874 20 0 DBADRM CSCC[C@H](OC(=O)[C@@H]1CCN(C)S1(=O)=O)C(=O)[O-] ZINC001607396937 1019004474 /nfs/dbraw/zinc/00/44/74/1019004474.db2.gz KGAJUUHPPLYODF-YUMQZZPRSA-N -1 0 311.381 -0.230 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CCS(=O)(=O)C1CCCC1)C(=O)[O-] ZINC001607424168 1019004512 /nfs/dbraw/zinc/00/45/12/1019004512.db2.gz MWUQUVVMAPFGSR-KCJUWKMLSA-N -1 0 307.368 -0.316 20 0 DBADRM CSc1c(C(=O)OCC(=O)NCCC(=O)[O-])cnn1C ZINC001607402567 1019004901 /nfs/dbraw/zinc/00/49/01/1019004901.db2.gz QJJGOPUROZSZMO-UHFFFAOYSA-N -1 0 301.324 -0.110 20 0 DBADRM C[C@@H](CO)NC(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001607419226 1019005345 /nfs/dbraw/zinc/00/53/45/1019005345.db2.gz UBABDYVJJWPWIJ-LURJTMIESA-N -1 0 315.351 -0.059 20 0 DBADRM CSCCCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001607396928 1019005431 /nfs/dbraw/zinc/00/54/31/1019005431.db2.gz QDRZFIXKPVJWOF-ZJUUUORDSA-N -1 0 318.395 -0.460 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)COCC1CC1 ZINC001607418675 1019006024 /nfs/dbraw/zinc/00/60/24/1019006024.db2.gz FTOCYEOGDVPWES-VIFPVBQESA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCCO2)C[C@@H](C(=O)[O-])O1 ZINC001607429004 1019006298 /nfs/dbraw/zinc/00/62/98/1019006298.db2.gz VYGFSKNOCKOEER-ISTVAULSSA-N -1 0 314.338 -0.628 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H](C(=O)[O-])O1 ZINC001607428427 1019006394 /nfs/dbraw/zinc/00/63/94/1019006394.db2.gz JSYUMKQBADTWED-OOCWMUITSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)C[C@H]1C(=O)[O-] ZINC001607428993 1019006683 /nfs/dbraw/zinc/00/66/83/1019006683.db2.gz RIBZYQDWBIZSDH-HENWMNBSSA-N -1 0 324.377 -0.215 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cn(C)nc1C(C)(C)C)C(=O)[O-] ZINC001607425580 1019006705 /nfs/dbraw/zinc/00/67/05/1019006705.db2.gz PQAOKLJQEQKGDW-APPZFPTMSA-N -1 0 319.383 -0.170 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cc[nH]n2)C[C@H]1CC(=O)[O-] ZINC001607428642 1019008167 /nfs/dbraw/zinc/00/81/67/1019008167.db2.gz LFZFKYCWZCKFPS-NXEZZACHSA-N -1 0 308.338 -0.063 20 0 DBADRM C[C@@H](O)CNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001607424267 1019008185 /nfs/dbraw/zinc/00/81/85/1019008185.db2.gz PIMSBIZBJJLFRI-SECBINFHSA-N -1 0 309.322 -0.068 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cncc(N2CCCC2=O)c1)C(=O)[O-] ZINC001607425379 1019008206 /nfs/dbraw/zinc/00/82/06/1019008206.db2.gz IOIOMLSUVIKDIV-PELKAZGASA-N -1 0 307.306 -0.228 20 0 DBADRM C[C@@H]1CN(C(=O)[C@](C)(O)Cn2ccccc2=O)C[C@H]1C(=O)[O-] ZINC001607430092 1019009406 /nfs/dbraw/zinc/00/94/06/1019009406.db2.gz JFVUPYVZTOTKCQ-UEKVPHQBSA-N -1 0 308.334 -0.222 20 0 DBADRM C[C@@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@H]1C(=O)[O-] ZINC001607430525 1019009559 /nfs/dbraw/zinc/00/95/59/1019009559.db2.gz GUTIKLRSHRJNMV-KBVBSXBZSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C[C@@H](C(=O)[O-])O1 ZINC001607436426 1019009792 /nfs/dbraw/zinc/00/97/92/1019009792.db2.gz YVIPQSQHUSTRLR-MUWHJKNJSA-N -1 0 306.278 -0.022 20 0 DBADRM C[C@@H]1CN(c2cnc(C(=O)[O-])cn2)CCN1S(C)(=O)=O ZINC001607439251 1019012033 /nfs/dbraw/zinc/01/20/33/1019012033.db2.gz AWEYMHYNJRSEBD-MRVPVSSYSA-N -1 0 300.340 -0.355 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCc1ocnc1C(=O)[O-] ZINC001607440282 1019012207 /nfs/dbraw/zinc/01/22/07/1019012207.db2.gz OEIMSXWNOIBJEM-SFYZADRCSA-N -1 0 316.335 -0.145 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)O[C@H]1C(=O)[O-] ZINC001607439726 1019012762 /nfs/dbraw/zinc/01/27/62/1019012762.db2.gz MAYAFFAPSCGQMA-VDWIVTDKSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@H]1CN(Cc2cn(C[C@H]3CCOC3)nn2)C[C@@H](C(=O)[O-])O1 ZINC001607439050 1019012820 /nfs/dbraw/zinc/01/28/20/1019012820.db2.gz WHDGAPQHFBSUDA-WZRBSPASSA-N -1 0 310.354 -0.012 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCC3(CNC(=O)C3)CC2)O[C@H]1C(=O)[O-] ZINC001607439704 1019013480 /nfs/dbraw/zinc/01/34/80/1019013480.db2.gz KGLINSGDLSPKSD-CKYFFXLPSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCC2(N3CCOCC3)CC2)O[C@H]1C(=O)[O-] ZINC001607442547 1019014020 /nfs/dbraw/zinc/01/40/20/1019014020.db2.gz AFMSEQYSMNXUPE-IJLUTSLNSA-N -1 0 312.366 -0.154 20 0 DBADRM CN(CCCN(C)C(=O)C1=COCCO1)Cc1n[nH]c(=O)[n-]1 ZINC001502155685 1019014465 /nfs/dbraw/zinc/01/44/65/1019014465.db2.gz ATGMQLGKZZGFDO-UHFFFAOYSA-N -1 0 311.342 -0.321 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC(C)(CO)CC1)C(=O)[O-] ZINC001607458162 1019014779 /nfs/dbraw/zinc/01/47/79/1019014779.db2.gz GTAQPHQMTMEAKV-UWVGGRQHSA-N -1 0 315.370 -0.232 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCc1nccs1)C(=O)[O-] ZINC001607458856 1019016537 /nfs/dbraw/zinc/01/65/37/1019016537.db2.gz QTTBNQDRFTUDJA-BQBZGAKWSA-N -1 0 300.340 -0.080 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C2CC2)CC[C@H]1C(=O)[O-] ZINC001607466928 1019017028 /nfs/dbraw/zinc/01/70/28/1019017028.db2.gz NVDBUIOPKGRJMX-WCQGTBRESA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CCCC12OCCO2)C(=O)[O-] ZINC001607459319 1019017050 /nfs/dbraw/zinc/01/70/50/1019017050.db2.gz YWXYAMPLIOFDGZ-LPEHRKFASA-N -1 0 314.338 -0.376 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC[C@@H]2COC[C@@H]21)C(=O)[O-] ZINC001607459160 1019017123 /nfs/dbraw/zinc/01/71/23/1019017123.db2.gz KLYGIKYOVDMRCT-MMWGEVLESA-N -1 0 313.354 -0.215 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1cnccn1 ZINC001607461169 1019017711 /nfs/dbraw/zinc/01/77/11/1019017711.db2.gz DEUATUYGOQTBDN-QMMMGPOBSA-N -1 0 311.323 -0.203 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)C[C@H]1CCCO1)C(=O)[O-] ZINC001607460142 1019017775 /nfs/dbraw/zinc/01/77/75/1019017775.db2.gz VCWAYFDHXRFNDN-XHNCKOQMSA-N -1 0 308.356 -0.937 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1ccnc(N(C)C)c1)C(=O)[O-] ZINC001607459545 1019018303 /nfs/dbraw/zinc/01/83/03/1019018303.db2.gz FEDBQMCIJXWESE-IUCAKERBSA-N -1 0 308.338 -0.145 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cn2cccnc2n1)C(=O)[O-] ZINC001607459697 1019018507 /nfs/dbraw/zinc/01/85/07/1019018507.db2.gz HSHPUXYLCNNYHX-YUMQZZPRSA-N -1 0 305.294 -0.563 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCCO2)C[C@@H](C(=O)[O-])O1 ZINC001607466642 1019018748 /nfs/dbraw/zinc/01/87/48/1019018748.db2.gz IWXITPCMAZTVBU-AXFHLTTASA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC[C@H](CO)CC1)C(=O)[O-] ZINC001607459340 1019019086 /nfs/dbraw/zinc/01/90/86/1019019086.db2.gz ZMLWDALMTUGKME-DCAQKATOSA-N -1 0 315.370 -0.232 20 0 DBADRM C[C@H]1CN(C(=O)Cc2nc(C3CC3)nn2C)C[C@@H](C(=O)[O-])O1 ZINC001607470951 1019020679 /nfs/dbraw/zinc/02/06/79/1019020679.db2.gz DYRVBZPRCOINMG-WPRPVWTQSA-N -1 0 308.338 -0.065 20 0 DBADRM C[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@]1(C)C(=O)[O-] ZINC001607471474 1019021191 /nfs/dbraw/zinc/02/11/91/1019021191.db2.gz RHZWBUCMPAYTPS-RTHLEPHNSA-N -1 0 319.321 -0.360 20 0 DBADRM C[C@H]1CN(C(=O)N[C@H]2CCC(=O)N(C)C2=O)C[C@]1(C)C(=O)[O-] ZINC001607471249 1019021595 /nfs/dbraw/zinc/02/15/95/1019021595.db2.gz WWGKWWLINLBJKY-FZNYLWTLSA-N -1 0 311.338 -0.114 20 0 DBADRM C[C@H]1CN(c2nnnn2C[C@@]2(C)CCCO2)C[C@@H](C(=O)[O-])O1 ZINC001607479610 1019021946 /nfs/dbraw/zinc/02/19/46/1019021946.db2.gz SVBXNNGYLXPGQF-OUJBWJOFSA-N -1 0 311.342 -0.080 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@]1(O)CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001607480618 1019022565 /nfs/dbraw/zinc/02/25/65/1019022565.db2.gz NWHGDMMDOBNBNI-AMJWSMQMSA-N -1 0 320.349 -0.112 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001607483408 1019022586 /nfs/dbraw/zinc/02/25/86/1019022586.db2.gz OIFJKUNUPONDPE-ZETCQYMHSA-N -1 0 323.334 -0.072 20 0 DBADRM Cc1[nH]ccc1C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001607499555 1019022696 /nfs/dbraw/zinc/02/26/96/1019022696.db2.gz ODYRVLALRLVHSP-SECBINFHSA-N -1 0 319.321 -0.564 20 0 DBADRM C[C@H]1CN(c2nnc([C@]3(O)CCOC3)n2C)C[C@]1(C)C(=O)[O-] ZINC001607481222 1019022717 /nfs/dbraw/zinc/02/27/17/1019022717.db2.gz UBKBENMHPYOGJO-HERUPUMHSA-N -1 0 310.354 -0.030 20 0 DBADRM C[C@H]1CN(C[C@H]2CN=C(c3cnn(C)c3)O2)C[C@@H](C(=O)[O-])O1 ZINC001607476725 1019023502 /nfs/dbraw/zinc/02/35/02/1019023502.db2.gz UGUIXTANPLZNCB-WCQGTBRESA-N -1 0 308.338 -0.261 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001607484285 1019023789 /nfs/dbraw/zinc/02/37/89/1019023789.db2.gz XNBPYIJNCZGJJT-LURJTMIESA-N -1 0 305.237 -0.037 20 0 DBADRM Cc1c(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nnn1C ZINC001607508164 1019025408 /nfs/dbraw/zinc/02/54/08/1019025408.db2.gz IRZQYKQVGRQOFR-UWVGGRQHSA-N -1 0 321.337 -0.968 20 0 DBADRM Cc1c(C(=O)NC[C@H](O)C(=O)[O-])nnn1Cc1ccncc1 ZINC001607508887 1019025693 /nfs/dbraw/zinc/02/56/93/1019025693.db2.gz BVMSIAWCORKACF-JTQLQIEISA-N -1 0 305.294 -0.795 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607500165 1019025942 /nfs/dbraw/zinc/02/59/42/1019025942.db2.gz MYIWWRQPJBHMNM-XKNYDFJKSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001607500183 1019026344 /nfs/dbraw/zinc/02/63/44/1019026344.db2.gz WHNXLOFCIFMOCA-UHFFFAOYSA-N -1 0 315.351 -0.591 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)CS(=O)(=O)N(C)C)n1C ZINC001607513919 1019026978 /nfs/dbraw/zinc/02/69/78/1019026978.db2.gz ZDZLTXURRWUEOD-UHFFFAOYSA-N -1 0 317.367 -0.461 20 0 DBADRM Cc1c(C(=O)[O-])cc(CN2CCN(CC(N)=O)C(=O)C2)n1C ZINC001607511647 1019026997 /nfs/dbraw/zinc/02/69/97/1019026997.db2.gz LOZXTBGXUPEPQL-UHFFFAOYSA-N -1 0 308.338 -0.839 20 0 DBADRM Cc1c(CCC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])cnn1C ZINC001607525794 1019028138 /nfs/dbraw/zinc/02/81/38/1019028138.db2.gz DIVVDDLJQQWYTF-NSHDSACASA-N -1 0 306.326 -0.478 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)cccc1C(=O)[O-] ZINC001607535414 1019028204 /nfs/dbraw/zinc/02/82/04/1019028204.db2.gz QSZLDFQLZVCNCW-QWRGUYRKSA-N -1 0 308.290 -0.804 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@H](O)CO)ccc(F)c1C(=O)[O-] ZINC001607536054 1019028326 /nfs/dbraw/zinc/02/83/26/1019028326.db2.gz BQQXCBDIWVUPNS-ZETCQYMHSA-N -1 0 314.269 -0.760 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@H](C)CCCO)cnn1CC(=O)[O-] ZINC001607536302 1019028976 /nfs/dbraw/zinc/02/89/76/1019028976.db2.gz FMXKXZAZEXQBJP-MRVPVSSYSA-N -1 0 312.326 -0.508 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cnn1C ZINC001607535120 1019029083 /nfs/dbraw/zinc/02/90/83/1019029083.db2.gz KYTMSUJARNSAAX-ZJUUUORDSA-N -1 0 310.310 -0.896 20 0 DBADRM Cc1c(NC(=O)C(=O)N(C)CC[C@@H](C)O)cnn1CC(=O)[O-] ZINC001607536012 1019029203 /nfs/dbraw/zinc/02/92/03/1019029203.db2.gz ZBRHFRZXDYOJOH-MRVPVSSYSA-N -1 0 312.326 -0.556 20 0 DBADRM Cc1c(C(=O)[O-])csc1NC(=O)C(=O)N[C@H]1CCNC1=O ZINC001607520956 1019029220 /nfs/dbraw/zinc/02/92/20/1019029220.db2.gz VDKITHYEFGCKCR-ZETCQYMHSA-N -1 0 311.319 -0.302 20 0 DBADRM Cc1c(S(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cnn1C ZINC001607554860 1019029676 /nfs/dbraw/zinc/02/96/76/1019029676.db2.gz WKMHKPMIZHSKOJ-NSHDSACASA-N -1 0 317.367 -0.425 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@@H](O)[C@H](C)C2)cnn1CC(=O)[O-] ZINC001607535798 1019030134 /nfs/dbraw/zinc/03/01/34/1019030134.db2.gz XJKIZHUFZBNYRV-LDYMZIIASA-N -1 0 324.337 -0.556 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n(C)n1 ZINC001607581077 1019031056 /nfs/dbraw/zinc/03/10/56/1019031056.db2.gz AEUFCDDWJFKCRD-VLEAKVRGSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001607581482 1019031282 /nfs/dbraw/zinc/03/12/82/1019031282.db2.gz OWYSIIVIRRXXQL-JXUBOQSCSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n(C)n1 ZINC001607581069 1019031458 /nfs/dbraw/zinc/03/14/58/1019031458.db2.gz AEUFCDDWJFKCRD-DBIOUOCHSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1cc(C(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])on1 ZINC001607571366 1019032345 /nfs/dbraw/zinc/03/23/45/1019032345.db2.gz PMXAKVCBEHRZNR-YUMQZZPRSA-N -1 0 322.277 -0.797 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n(C)n1 ZINC001607581075 1019032398 /nfs/dbraw/zinc/03/23/98/1019032398.db2.gz AEUFCDDWJFKCRD-NAKRPEOUSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1cc(C(=O)NC[C@H](C)Nc2ccnc(C(=O)[O-])n2)n(C)n1 ZINC001607578064 1019032868 /nfs/dbraw/zinc/03/28/68/1019032868.db2.gz IQWFLZCCHMQIPO-VIFPVBQESA-N -1 0 318.337 -0.131 20 0 DBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H]2CNC(=O)C2)c1F ZINC001607593276 1019033493 /nfs/dbraw/zinc/03/34/93/1019033493.db2.gz OZVRKJQPHBOKFH-MRVPVSSYSA-N -1 0 316.310 -0.001 20 0 DBADRM Cc1cc(CCC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])[nH]n1 ZINC001607637594 1019033672 /nfs/dbraw/zinc/03/36/72/1019033672.db2.gz JKUBCWWNGBFCEO-NSHDSACASA-N -1 0 308.338 -0.157 20 0 DBADRM Cc1cc(C(=O)[O-])c(NC(=O)C(=O)N[C@H](CO)[C@@H](C)O)s1 ZINC001607587029 1019033714 /nfs/dbraw/zinc/03/37/14/1019033714.db2.gz TYTKHRMKWHXKBI-HTRCEHHLSA-N -1 0 316.335 -0.449 20 0 DBADRM Cc1cc(CC(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001607635541 1019034046 /nfs/dbraw/zinc/03/40/46/1019034046.db2.gz BPLSFERVJODAKY-NEPJUHHUSA-N -1 0 320.349 -0.444 20 0 DBADRM Cc1cc(NC(=O)NCC(=O)NCC(=O)[O-])cn2ccnc12 ZINC001607687806 1019036000 /nfs/dbraw/zinc/03/60/00/1019036000.db2.gz XQSCLWUFUPTVQP-UHFFFAOYSA-N -1 0 305.294 -0.035 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)Cc2nncn2C)c(C(=O)[O-])[nH]1 ZINC001607671480 1019036250 /nfs/dbraw/zinc/03/62/50/1019036250.db2.gz SDQZYJJVVYTRJO-UHFFFAOYSA-N -1 0 320.309 -0.253 20 0 DBADRM Cc1cc(Cn2nnnc2N2C[C@@H](C)[C@H](C(=O)[O-])C2)n(C)n1 ZINC001607658162 1019036310 /nfs/dbraw/zinc/03/63/10/1019036310.db2.gz QHKBFVGXKZIDDD-LDYMZIIASA-N -1 0 305.342 -0.080 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H](C)C[S@@](C)=O)c(C(=O)[O-])[nH]1 ZINC001607670750 1019037886 /nfs/dbraw/zinc/03/78/86/1019037886.db2.gz ONIPBZCSFMDEAV-MWAODPMSSA-N -1 0 315.351 -0.157 20 0 DBADRM Cc1cc(OCC(=O)NCCNc2ccnc(C(=O)[O-])n2)no1 ZINC001607700619 1019039354 /nfs/dbraw/zinc/03/93/54/1019039354.db2.gz FRHGCQFPAFISOR-UHFFFAOYSA-N -1 0 321.293 -0.500 20 0 DBADRM Cc1ccc(C(=O)C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])cc1 ZINC001607724269 1019039433 /nfs/dbraw/zinc/03/94/33/1019039433.db2.gz KIIQDNVMFAYPLX-NSHDSACASA-N -1 0 304.302 -0.068 20 0 DBADRM Cc1ccc(C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001607730024 1019040349 /nfs/dbraw/zinc/04/03/49/1019040349.db2.gz AJDMSYNNXYQCBX-VHSXEESVSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@H](CCF)C(=O)[O-] ZINC001607710611 1019040509 /nfs/dbraw/zinc/04/05/09/1019040509.db2.gz MDKXOJBSBYOEIK-ZCFIWIBFSA-N -1 0 308.287 -0.222 20 0 DBADRM Cc1ccc(C(=O)NCC2(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001607730023 1019040655 /nfs/dbraw/zinc/04/06/55/1019040655.db2.gz AJDMSYNNXYQCBX-UWVGGRQHSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](C(N)=O)C1 ZINC001607738557 1019041058 /nfs/dbraw/zinc/04/10/58/1019041058.db2.gz OPDVVUICSAYHHF-JTQLQIEISA-N -1 0 319.317 -0.034 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)CC(=O)[O-])s1 ZINC001607821142 1019041805 /nfs/dbraw/zinc/04/18/05/1019041805.db2.gz VVDKGTPPLQBDQJ-UHFFFAOYSA-N -1 0 306.365 -0.074 20 0 DBADRM Cc1ccc(N2CCN3[C@H](CNS3(=O)=O)C2)nc1C(=O)[O-] ZINC001607795036 1019042203 /nfs/dbraw/zinc/04/22/03/1019042203.db2.gz WPDPTRWYZYWGFA-SECBINFHSA-N -1 0 312.351 -0.573 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@@H](CF)C(=O)[O-] ZINC001607838191 1019042817 /nfs/dbraw/zinc/04/28/17/1019042817.db2.gz FFHSFTGJDHLAQB-ZANVPECISA-N -1 0 300.286 -0.553 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCCOCC(=O)[O-] ZINC001607838373 1019042977 /nfs/dbraw/zinc/04/29/77/1019042977.db2.gz IMALLTCCJBESTR-AWEZNQCLSA-N -1 0 312.322 -0.875 20 0 DBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@](C)(CO)C(=O)[O-])C2=O ZINC001607828999 1019043374 /nfs/dbraw/zinc/04/33/74/1019043374.db2.gz AWYFQUNSSBHIEM-OAHLLOKOSA-N -1 0 320.301 -0.457 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)nc1C ZINC001607781467 1019043530 /nfs/dbraw/zinc/04/35/30/1019043530.db2.gz OZPKTLZCEHMZAE-GFCCVEGCSA-N -1 0 321.333 -0.373 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCNC2=O)cc1C(=O)[O-] ZINC001607793334 1019043668 /nfs/dbraw/zinc/04/36/68/1019043668.db2.gz CKICYZICAHREID-NSHDSACASA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)cc1C(=O)[O-] ZINC001607797144 1019044070 /nfs/dbraw/zinc/04/40/70/1019044070.db2.gz KUIKAFYHDUEFIZ-SECBINFHSA-N -1 0 305.290 -0.364 20 0 DBADRM Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC001607815041 1019044125 /nfs/dbraw/zinc/04/41/25/1019044125.db2.gz DCNNJKPZPKPZOB-NSHDSACASA-N -1 0 315.347 -0.279 20 0 DBADRM Cc1ccnn1CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001607898612 1019044432 /nfs/dbraw/zinc/04/44/32/1019044432.db2.gz SHFZCNFPARWFFF-VXGBXAGGSA-N -1 0 320.349 -0.417 20 0 DBADRM Cc1cn(C)nc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607901120 1019044709 /nfs/dbraw/zinc/04/47/09/1019044709.db2.gz KOGPAHKVYFIDMU-MNOVXSKESA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001607890859 1019045382 /nfs/dbraw/zinc/04/53/82/1019045382.db2.gz KRINRJNHFROOPA-UWVGGRQHSA-N -1 0 321.333 -0.046 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)NC2CC(C(=O)[O-])C2)c(=O)c1 ZINC001607891506 1019045681 /nfs/dbraw/zinc/04/56/81/1019045681.db2.gz FWCDSFXMYGNVCT-QKFMDRJYSA-N -1 0 308.334 -0.113 20 0 DBADRM Cc1ccnc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001607893578 1019046835 /nfs/dbraw/zinc/04/68/35/1019046835.db2.gz SBAFAQUSAJXNHO-ZJUUUORDSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1cnc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c(O)c1 ZINC001607903406 1019047020 /nfs/dbraw/zinc/04/70/20/1019047020.db2.gz SGCODZPLCQJNKS-UHFFFAOYSA-N -1 0 323.349 -0.045 20 0 DBADRM Cc1cncn1CC(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607915080 1019047698 /nfs/dbraw/zinc/04/76/98/1019047698.db2.gz NRWDAASZGGSMKX-RYUDHWBXSA-N -1 0 320.349 -0.419 20 0 DBADRM Cc1cncn1CC(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607914547 1019047767 /nfs/dbraw/zinc/04/77/67/1019047767.db2.gz BQJRPYAQQBOPQI-NEPJUHHUSA-N -1 0 320.349 -0.513 20 0 DBADRM Cc1cnn(CC(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001607916309 1019047794 /nfs/dbraw/zinc/04/77/94/1019047794.db2.gz MARREGOQDNHNGV-QWRGUYRKSA-N -1 0 306.322 -0.761 20 0 DBADRM Cc1cnn(CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)c1 ZINC001607916150 1019048807 /nfs/dbraw/zinc/04/88/07/1019048807.db2.gz JIXKRWPXDHQDMK-GHMZBOCLSA-N -1 0 320.349 -0.323 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001607916891 1019049326 /nfs/dbraw/zinc/04/93/26/1019049326.db2.gz LGWIUYFZGPESCT-SNVBAGLBSA-N -1 0 317.367 -0.425 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@@H](C)/C=C\C(=O)[O-] ZINC001607911106 1019049788 /nfs/dbraw/zinc/04/97/88/1019049788.db2.gz WQWOLUWJUSNQCB-LGYSABEFSA-N -1 0 313.335 -0.052 20 0 DBADRM Cc1cnc(C(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cn1 ZINC001607905441 1019049850 /nfs/dbraw/zinc/04/98/50/1019049850.db2.gz NUGAIBVVBFMBHP-ZJUUUORDSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1conc1CS(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001607922828 1019050396 /nfs/dbraw/zinc/05/03/96/1019050396.db2.gz MUZJZPHMSQWZMB-UHFFFAOYSA-N -1 0 317.367 -0.095 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001607938805 1019050457 /nfs/dbraw/zinc/05/04/57/1019050457.db2.gz APUHNTYTLUICHW-NSHDSACASA-N -1 0 324.337 -0.982 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCN(CC(N)=O)CC1 ZINC001607917507 1019050987 /nfs/dbraw/zinc/05/09/87/1019050987.db2.gz LGURDBBXOYWKIX-UHFFFAOYSA-N -1 0 309.322 -0.542 20 0 DBADRM Cc1conc1CS(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001607922893 1019051144 /nfs/dbraw/zinc/05/11/44/1019051144.db2.gz OJMPCZGDJNPOCU-RKDXNWHRSA-N -1 0 304.324 -0.420 20 0 DBADRM Cc1n[nH]c(C(=O)N2CC(O)(C(=O)[O-])C2)c1Br ZINC001607935173 1019051416 /nfs/dbraw/zinc/05/14/16/1019051416.db2.gz HXYXWMTUEGJXOT-UHFFFAOYSA-N -1 0 304.100 -0.248 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)N(C)CCS(N)(=O)=O ZINC001607919387 1019051500 /nfs/dbraw/zinc/05/15/00/1019051500.db2.gz SDRYOEVJXLOTCP-UHFFFAOYSA-N -1 0 304.324 -0.424 20 0 DBADRM Cc1conc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001607922558 1019051850 /nfs/dbraw/zinc/05/18/50/1019051850.db2.gz HSFCMKHYYSHGKS-ZJUUUORDSA-N -1 0 307.306 -0.012 20 0 DBADRM Cc1csc(C(=O)[O-])c1S(=O)(=O)NCCN(C)CCO ZINC001607927635 1019052770 /nfs/dbraw/zinc/05/27/70/1019052770.db2.gz LDEXMHUVLWTWDJ-UHFFFAOYSA-N -1 0 322.408 -0.043 20 0 DBADRM Cc1nc(C)c(CC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c(=O)[nH]1 ZINC001607947272 1019053344 /nfs/dbraw/zinc/05/33/44/1019053344.db2.gz GRSRKCRTKDOPMG-ZJUUUORDSA-N -1 0 309.322 -0.364 20 0 DBADRM Cc1nc(CS(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)cs1 ZINC001607960313 1019053640 /nfs/dbraw/zinc/05/36/40/1019053640.db2.gz QOZZZHRCFKTPBY-SNVBAGLBSA-N -1 0 306.365 -0.197 20 0 DBADRM Cc1nc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])c(=O)[nH]c1C ZINC001607945996 1019053656 /nfs/dbraw/zinc/05/36/56/1019053656.db2.gz NOLZVDDBNMUDLZ-VIFPVBQESA-N -1 0 305.294 -0.534 20 0 DBADRM Cc1nc([C@@H](C)NS(=O)(=O)c2cnn(CC(=O)[O-])c2)no1 ZINC001607949540 1019053742 /nfs/dbraw/zinc/05/37/42/1019053742.db2.gz UIYUSSRGGOHZOR-ZCFIWIBFSA-N -1 0 315.311 -0.301 20 0 DBADRM Cc1ncc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)[nH]1 ZINC001607945986 1019054389 /nfs/dbraw/zinc/05/43/89/1019054389.db2.gz MXHIUCGNEVBUSJ-UHFFFAOYSA-N -1 0 301.324 -0.520 20 0 DBADRM Cc1nc(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)c(C)o1 ZINC001607945538 1019054460 /nfs/dbraw/zinc/05/44/60/1019054460.db2.gz ZEFBAWFWEZVLRW-QPUJVOFHSA-N -1 0 316.335 -0.091 20 0 DBADRM Cc1nc(Cn2nnc(C(=O)NCCCC(=O)[O-])c2C)no1 ZINC001607959967 1019054496 /nfs/dbraw/zinc/05/44/96/1019054496.db2.gz AOHKHMGRVSRPLH-UHFFFAOYSA-N -1 0 308.298 -0.079 20 0 DBADRM Cc1nc(CS(=O)(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])no1 ZINC001607960325 1019055125 /nfs/dbraw/zinc/05/51/25/1019055125.db2.gz QSWHDCHRYLLZQM-IUCAKERBSA-N -1 0 319.339 -0.180 20 0 DBADRM Cc1nc(C)n(C2CN(C(=O)Cn3ccc(C(=O)[O-])n3)C2)n1 ZINC001607952163 1019055417 /nfs/dbraw/zinc/05/54/17/1019055417.db2.gz NFEHNYDCYVSYIH-UHFFFAOYSA-N -1 0 304.310 -0.127 20 0 DBADRM Cc1n[nH]nc1C(=O)N(C)C[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001607939521 1019055962 /nfs/dbraw/zinc/05/59/62/1019055962.db2.gz RAVOTJYXHGLMGO-SSDOTTSWSA-N -1 0 319.325 -0.404 20 0 DBADRM Cc1nc(C)c(CC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c(=O)[nH]1 ZINC001607947270 1019056495 /nfs/dbraw/zinc/05/64/95/1019056495.db2.gz GRSRKCRTKDOPMG-UWVGGRQHSA-N -1 0 309.322 -0.364 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)Cn1ccc(C(=O)[O-])n1)CC2 ZINC001607974089 1019056825 /nfs/dbraw/zinc/05/68/25/1019056825.db2.gz AFVLEZPYZDLXOF-VIFPVBQESA-N -1 0 304.310 -0.388 20 0 DBADRM Cc1ncc(NC(=O)NCCN2C(=O)CNC2=O)cc1C(=O)[O-] ZINC001607982662 1019057695 /nfs/dbraw/zinc/05/76/95/1019057695.db2.gz INQDSLCXBHRSJT-UHFFFAOYSA-N -1 0 321.293 -0.238 20 0 DBADRM Cc1ncc(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)n1C ZINC001607976331 1019057859 /nfs/dbraw/zinc/05/78/59/1019057859.db2.gz YOXFPBMPMQVFQU-JOYOIKCWSA-N -1 0 315.351 -0.654 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N[C@]2(CC(=O)[O-])CCOC2)cn1 ZINC001607982437 1019058104 /nfs/dbraw/zinc/05/81/04/1019058104.db2.gz DKKWBBUKTDPPHV-ZDUSSCGKSA-N -1 0 308.294 -0.526 20 0 DBADRM Cc1ncc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c(N)n1 ZINC001607975706 1019058143 /nfs/dbraw/zinc/05/81/43/1019058143.db2.gz JZWLITNHDWCCMY-ZDUSSCGKSA-N -1 0 305.294 -0.187 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])s1 ZINC001607982636 1019058803 /nfs/dbraw/zinc/05/88/03/1019058803.db2.gz FJOWSIGULFMUDI-CBAPKCEASA-N -1 0 313.335 -0.173 20 0 DBADRM Cc1nccc(N2CCN(Cn3cnc(C(=O)[O-])n3)CC2)n1 ZINC001607988413 1019060132 /nfs/dbraw/zinc/06/01/32/1019060132.db2.gz QQJUJMDDKFFBKF-UHFFFAOYSA-N -1 0 303.326 -0.146 20 0 DBADRM Cc1nn(C)c(C)c1CCC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001607997936 1019060342 /nfs/dbraw/zinc/06/03/42/1019060342.db2.gz BBAQRBZJDDDVID-GFCCVEGCSA-N -1 0 322.365 -0.277 20 0 DBADRM Cc1nccnc1CCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001607991553 1019060706 /nfs/dbraw/zinc/06/07/06/1019060706.db2.gz UCMLZJLTSADNJZ-MNOVXSKESA-N -1 0 308.338 -0.195 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-] ZINC001607997988 1019061408 /nfs/dbraw/zinc/06/14/08/1019061408.db2.gz IVZLNEYWAGJWRV-SECBINFHSA-N -1 0 305.356 -0.461 20 0 DBADRM Cc1ncoc1CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001607992779 1019061698 /nfs/dbraw/zinc/06/16/98/1019061698.db2.gz NGOQMXXPCKOALW-UHFFFAOYSA-N -1 0 300.296 -0.257 20 0 DBADRM Cc1nccc(C(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001607987001 1019062448 /nfs/dbraw/zinc/06/24/48/1019062448.db2.gz DQJVBYDXXOORLA-VHSXEESVSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@H](C(=O)[O-])c1ccn(C)n1 ZINC001608005683 1019064947 /nfs/dbraw/zinc/06/49/47/1019064947.db2.gz RNQDOEQQADUNMP-JTQLQIEISA-N -1 0 313.339 -0.434 20 0 DBADRM Cc1nn(Cc2ccccc2)c(N)c1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001608011645 1019064976 /nfs/dbraw/zinc/06/49/76/1019064976.db2.gz PKDPIQRJCDRIJH-NSHDSACASA-N -1 0 318.333 -0.003 20 0 DBADRM Cc1nn(CC(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)c(=O)o1 ZINC001608005168 1019064986 /nfs/dbraw/zinc/06/49/86/1019064986.db2.gz ZGEYCRXDWUEJKU-NSHDSACASA-N -1 0 307.262 -0.208 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1C ZINC001607999822 1019065244 /nfs/dbraw/zinc/06/52/44/1019065244.db2.gz OYAWENNNOAJWES-IUCAKERBSA-N -1 0 324.337 -0.895 20 0 DBADRM Cc1nn(CC(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)c2ncccc12 ZINC001608003532 1019065281 /nfs/dbraw/zinc/06/52/81/1019065281.db2.gz FJVNNQINFDTNTH-DEZZCRIOSA-N -1 0 304.306 -0.166 20 0 DBADRM Cc1nnsc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608018939 1019065631 /nfs/dbraw/zinc/06/56/31/1019065631.db2.gz OMNLIBXJMKIVLB-HTQZYQBOSA-N -1 0 324.362 -0.054 20 0 DBADRM Cc1noc(CCCNC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001608026216 1019065708 /nfs/dbraw/zinc/06/57/08/1019065708.db2.gz OITAALDLTSYKHC-AOOOYVTPSA-N -1 0 324.337 -0.252 20 0 DBADRM Cc1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@@H]2C(=O)[O-])o1 ZINC001608016737 1019066210 /nfs/dbraw/zinc/06/62/10/1019066210.db2.gz VGAUEBVIANEPGI-OFKSJOQMSA-N -1 0 306.322 -0.355 20 0 DBADRM Cc1n[nH]c(=O)c(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1C ZINC001608017994 1019066383 /nfs/dbraw/zinc/06/63/83/1019066383.db2.gz BPGVPQRYQMDKTJ-ZJUUUORDSA-N -1 0 324.337 -0.224 20 0 DBADRM Cc1nnccc1NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001608018597 1019066692 /nfs/dbraw/zinc/06/66/92/1019066692.db2.gz WZAVNJSQUNFCFR-XVKPBYJWSA-N -1 0 308.294 -0.576 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)Nc1n[nH]c(CC(=O)[O-])n1)CC2 ZINC001608017857 1019067328 /nfs/dbraw/zinc/06/73/28/1019067328.db2.gz MDKVZKMLOPWDSL-SSDOTTSWSA-N -1 0 305.298 -0.467 20 0 DBADRM Cc1nnsc1C(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001608019136 1019067649 /nfs/dbraw/zinc/06/76/49/1019067649.db2.gz UDMDBNKBQBVFBU-LURJTMIESA-N -1 0 322.350 -0.013 20 0 DBADRM Cc1nnccc1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001608017613 1019067725 /nfs/dbraw/zinc/06/77/25/1019067725.db2.gz FUYHLTZYYVYGAX-UHFFFAOYSA-N -1 0 302.294 -0.463 20 0 DBADRM Cc1noc(C)c1CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001608022990 1019067792 /nfs/dbraw/zinc/06/77/92/1019067792.db2.gz FZKHRIVQTVXIEL-JTQLQIEISA-N -1 0 309.322 -0.117 20 0 DBADRM Cc1nnc(CNS(=O)(=O)c2cccnc2C(=O)[O-])n1C ZINC001608016366 1019068093 /nfs/dbraw/zinc/06/80/93/1019068093.db2.gz LPRWWGIRYFYMDB-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM Cc1nnc(CCC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])o1 ZINC001608015353 1019068382 /nfs/dbraw/zinc/06/83/82/1019068382.db2.gz ZRLOWMMOOQDPNN-SECBINFHSA-N -1 0 310.310 -0.498 20 0 DBADRM Cc1oc(C=O)cc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001608043743 1019068959 /nfs/dbraw/zinc/06/89/59/1019068959.db2.gz ZUKWYHKOWMDETE-JTQLQIEISA-N -1 0 315.303 -0.276 20 0 DBADRM Cc1nonc1C(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001608031501 1019069214 /nfs/dbraw/zinc/06/92/14/1019069214.db2.gz VMAQDBVXWRUOTM-DTWKUNHWSA-N -1 0 308.294 -0.713 20 0 DBADRM Cc1noc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001608028008 1019069565 /nfs/dbraw/zinc/06/95/65/1019069565.db2.gz NNSXRNRRXYOHBE-KUNJHIDRSA-N -1 0 306.322 -0.355 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc1C(=O)[O-] ZINC001608046986 1019070269 /nfs/dbraw/zinc/07/02/69/1019070269.db2.gz BMGFMLRAYUTGOZ-URLYPYJESA-N -1 0 308.290 -0.337 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N2CCC[C@H]2CO)cc1C(=O)[O-] ZINC001608050687 1019070616 /nfs/dbraw/zinc/07/06/16/1019070616.db2.gz OFNBMPLSZFZKLB-VIFPVBQESA-N -1 0 310.306 -0.114 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)OCC(=O)N1CCNC(=O)C1 ZINC001608036503 1019070774 /nfs/dbraw/zinc/07/07/74/1019070774.db2.gz UUUXFPCYDSNGAH-UHFFFAOYSA-N -1 0 310.262 -0.599 20 0 DBADRM Cc1occc1CN(C)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001608055402 1019071356 /nfs/dbraw/zinc/07/13/56/1019071356.db2.gz FESBSKBANRSLSW-RYUDHWBXSA-N -1 0 324.333 -0.160 20 0 DBADRM Cc1onc(-c2ccncc2)c1C(=O)NCC(=O)NCC(=O)[O-] ZINC001608059223 1019071385 /nfs/dbraw/zinc/07/13/85/1019071385.db2.gz WCUGYAIFTUUEBC-UHFFFAOYSA-N -1 0 318.289 -0.024 20 0 DBADRM Cc1oc(S(=O)(=O)NCCn2ccnn2)cc1C(=O)[O-] ZINC001608055701 1019071401 /nfs/dbraw/zinc/07/14/01/1019071401.db2.gz CGBMDBCKPWEWEA-UHFFFAOYSA-N -1 0 300.296 -0.144 20 0 DBADRM Cc1occc(=O)c1OCC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001608055826 1019072218 /nfs/dbraw/zinc/07/22/18/1019072218.db2.gz PDYKFWUKNJBVTK-BXKDBHETSA-N -1 0 311.290 -0.236 20 0 DBADRM Cn1c(=O)ccn(CC(=O)OC[C@@H]2CCCC[C@@H]2C(=O)[O-])c1=O ZINC001608077934 1019072366 /nfs/dbraw/zinc/07/23/66/1019072366.db2.gz NNLGCISDOAFHEI-QWRGUYRKSA-N -1 0 324.333 -0.019 20 0 DBADRM Cn1c2[nH]c(COC(=O)CCCC(=O)[O-])nc2c(=O)n(C)c1=O ZINC001608076679 1019072581 /nfs/dbraw/zinc/07/25/81/1019072581.db2.gz FNSVSKALDUMLDZ-UHFFFAOYSA-N -1 0 324.293 -0.742 20 0 DBADRM Cn1[nH]cc2c(=NS(=O)(=O)c3n[nH]cc3C(=O)[O-])ccnc1-2 ZINC001608073893 1019072961 /nfs/dbraw/zinc/07/29/61/1019072961.db2.gz DGFLFKHKDNNSSX-UHFFFAOYSA-N -1 0 322.306 -0.436 20 0 DBADRM Cn1c(=O)oc2c1cccc2NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001608077416 1019073318 /nfs/dbraw/zinc/07/33/18/1019073318.db2.gz VCJOSMXXCJIIQM-UHFFFAOYSA-N -1 0 307.262 -0.205 20 0 DBADRM Cc1occc(=O)c1OCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001608055853 1019073390 /nfs/dbraw/zinc/07/33/90/1019073390.db2.gz PJQZMRRNGJFNNX-SNVBAGLBSA-N -1 0 321.289 -0.138 20 0 DBADRM Cn1c([C@H]2SCCNC2=O)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001608086690 1019074959 /nfs/dbraw/zinc/07/49/59/1019074959.db2.gz DDDPQVRSVKGLTQ-HTQZYQBOSA-N -1 0 311.367 -0.370 20 0 DBADRM Cn1c(C(=O)NCC2(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)c[nH]c1=O ZINC001608081782 1019075626 /nfs/dbraw/zinc/07/56/26/1019075626.db2.gz PDDBOAFZJCGOEE-YUMQZZPRSA-N -1 0 322.321 -0.775 20 0 DBADRM Cn1c([C@H]2CCS(=O)(=O)N2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001608087511 1019076174 /nfs/dbraw/zinc/07/61/74/1019076174.db2.gz NQVNANHCJABXCI-JGVFFNPUSA-N -1 0 315.355 -0.910 20 0 DBADRM Cn1cc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001608096390 1019077062 /nfs/dbraw/zinc/07/70/62/1019077062.db2.gz KSGQISNXOKFDOA-CQSZACIVSA-N -1 0 308.338 -0.578 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2CCN3CCOC[C@@H]3C2)n1 ZINC001608099252 1019077366 /nfs/dbraw/zinc/07/73/66/1019077366.db2.gz NMCDRVDKZRONLV-VIFPVBQESA-N -1 0 309.326 -0.333 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(C(=O)[O-])n3)C2)nn1 ZINC001608097888 1019077552 /nfs/dbraw/zinc/07/75/52/1019077552.db2.gz XHBPQQZSRLKFBF-OCAPTIKFSA-N -1 0 317.309 -0.902 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)n1 ZINC001608099750 1019077568 /nfs/dbraw/zinc/07/75/68/1019077568.db2.gz KOHNBNYBQRDVSV-LLVKDONJSA-N -1 0 316.339 -0.471 20 0 DBADRM Cn1cc(C(=O)C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)cn1 ZINC001608097140 1019077625 /nfs/dbraw/zinc/07/76/25/1019077625.db2.gz QODWZLWGBDHSNR-ZDUSSCGKSA-N -1 0 306.278 -0.565 20 0 DBADRM Cn1cc(C(=O)NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CCC2)nn1 ZINC001608098894 1019077708 /nfs/dbraw/zinc/07/77/08/1019077708.db2.gz YDHOCPHIXBEXGJ-IUCAKERBSA-N -1 0 321.337 -0.696 20 0 DBADRM Cn1cc(C(=O)N[C@](C)(CCF)C(=O)[O-])c(=O)n(C)c1=O ZINC001608096593 1019077767 /nfs/dbraw/zinc/07/77/67/1019077767.db2.gz PNOAUVMOSPAHTQ-GFCCVEGCSA-N -1 0 301.274 -0.983 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001608103294 1019078620 /nfs/dbraw/zinc/07/86/20/1019078620.db2.gz RWEPPKKAHDZNNC-IUCAKERBSA-N -1 0 314.319 -0.483 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)N3CC4CC3(C(=O)[O-])C4)C2)cn1 ZINC001608106523 1019078691 /nfs/dbraw/zinc/07/86/91/1019078691.db2.gz FRZLWYBPVZYIDI-PGMTZQPISA-N -1 0 304.306 -0.011 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CO)[C@H]1CCOC1 ZINC001608103979 1019079072 /nfs/dbraw/zinc/07/90/72/1019079072.db2.gz XBVCBDPIHZDFQS-WPRPVWTQSA-N -1 0 318.351 -0.601 20 0 DBADRM Cn1cc([C@@H](NC(=O)N2CC(O)(C(=O)[O-])C2)C(F)(F)F)cn1 ZINC001608105534 1019079393 /nfs/dbraw/zinc/07/93/93/1019079393.db2.gz FVYYRFNETRBRPA-SSDOTTSWSA-N -1 0 322.243 -0.136 20 0 DBADRM Cn1cc(CCNC(=O)Cn2cccc(C(=O)[O-])c2=O)cn1 ZINC001608109524 1019079821 /nfs/dbraw/zinc/07/98/21/1019079821.db2.gz GOGAVVIGSXYCHG-UHFFFAOYSA-N -1 0 304.306 -0.361 20 0 DBADRM Cn1cc(CCC(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])nn1 ZINC001608108730 1019080674 /nfs/dbraw/zinc/08/06/74/1019080674.db2.gz RWOBOASAEOMERT-JTQLQIEISA-N -1 0 312.326 -0.530 20 0 DBADRM Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)N2CC(O)(C(=O)[O-])C2)cn1 ZINC001608110611 1019081225 /nfs/dbraw/zinc/08/12/25/1019081225.db2.gz JLLHQDUDBFUPEA-NWDGAFQWSA-N -1 0 322.365 -0.028 20 0 DBADRM Cn1cc(CN2CC=C(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001608113659 1019081396 /nfs/dbraw/zinc/08/13/96/1019081396.db2.gz VPRJMUDDYCUWRE-OLZOCXBDSA-N -1 0 319.365 -0.216 20 0 DBADRM Cn1cc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001608112131 1019081630 /nfs/dbraw/zinc/08/16/30/1019081630.db2.gz UNHWGXURXGKIJR-RKDXNWHRSA-N -1 0 309.322 -0.007 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)NC[C@H]3C[C@H]3C(=O)[O-])CC2=O)cn1 ZINC001608117714 1019082956 /nfs/dbraw/zinc/08/29/56/1019082956.db2.gz RJQBEROAUBRQOC-WCABBAIRSA-N -1 0 306.322 -0.390 20 0 DBADRM Cn1cc(N2CC[C@@H](N3CCC(O)(C(=O)[O-])CC3)C2=O)cn1 ZINC001608117978 1019082976 /nfs/dbraw/zinc/08/29/76/1019082976.db2.gz YXPNUXPZLFMGCD-LLVKDONJSA-N -1 0 308.338 -0.563 20 0 DBADRM Cn1cc(CNS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])nn1 ZINC001608114354 1019083195 /nfs/dbraw/zinc/08/31/95/1019083195.db2.gz NMXBPZOXMXXVBX-NXEZZACHSA-N -1 0 302.356 -0.122 20 0 DBADRM Cn1ccc(=O)c(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001608123309 1019083967 /nfs/dbraw/zinc/08/39/67/1019083967.db2.gz GPXUAGVQITWLTO-NXEZZACHSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1C(N)=O ZINC001608121946 1019084169 /nfs/dbraw/zinc/08/41/69/1019084169.db2.gz MYHZMEDDNPQDCW-MBTKJCJQSA-N -1 0 313.335 -0.925 20 0 DBADRM Cn1ccc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cc1=O ZINC001608125021 1019084698 /nfs/dbraw/zinc/08/46/98/1019084698.db2.gz VOSPCQVBMVWRDJ-OLZOCXBDSA-N -1 0 319.361 -0.250 20 0 DBADRM Cn1ccc(=O)c(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c1 ZINC001608123705 1019085070 /nfs/dbraw/zinc/08/50/70/1019085070.db2.gz QUFYNQVVMOBJGF-AWEZNQCLSA-N -1 0 305.290 -0.169 20 0 DBADRM Cn1ccc([C@H](NC(=O)c2ccc(C(N)=O)cn2)C(=O)[O-])n1 ZINC001608124372 1019085750 /nfs/dbraw/zinc/08/57/50/1019085750.db2.gz HBHKEIUNYLQKCL-JTQLQIEISA-N -1 0 303.278 -0.530 20 0 DBADRM Cn1ccc(-c2cc(C(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)no2)n1 ZINC001608123053 1019086005 /nfs/dbraw/zinc/08/60/05/1019086005.db2.gz LJHQVWNJYCHSBP-RKDXNWHRSA-N -1 0 320.305 -0.017 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](CO)[C@@H]2CCOC2)cc1C(=O)[O-] ZINC001608121752 1019086221 /nfs/dbraw/zinc/08/62/21/1019086221.db2.gz BIOYYZNVEADTAX-PSASIEDQSA-N -1 0 318.351 -0.601 20 0 DBADRM Cn1cccc(NC(=O)C(=O)NC[C@@H](CC2CC2)C(=O)[O-])c1=O ZINC001608129950 1019087604 /nfs/dbraw/zinc/08/76/04/1019087604.db2.gz GORHOMWADCPZQZ-SNVBAGLBSA-N -1 0 321.333 -0.059 20 0 DBADRM Cn1cccc1C(=O)C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001608129876 1019087906 /nfs/dbraw/zinc/08/79/06/1019087906.db2.gz FIGXXBRINMEPDA-SNVBAGLBSA-N -1 0 308.290 -0.173 20 0 DBADRM Cn1cnc(C(=O)NCCc2ncc(C(=O)[O-])s2)cc1=O ZINC001608133787 1019088379 /nfs/dbraw/zinc/08/83/79/1019088379.db2.gz IPWUUTDRDNPFTG-UHFFFAOYSA-N -1 0 308.319 -0.093 20 0 DBADRM Cn1ccnc1CNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001608132820 1019088975 /nfs/dbraw/zinc/08/89/75/1019088975.db2.gz MGDPHWJISXOSIE-UHFFFAOYSA-N -1 0 308.338 -0.204 20 0 DBADRM Cn1cnc2ccc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])nc21 ZINC001608136355 1019090429 /nfs/dbraw/zinc/09/04/29/1019090429.db2.gz LPFDCCQVQLWDGU-JTQLQIEISA-N -1 0 317.305 -0.616 20 0 DBADRM Cn1cnnc1[C@H](CO)NC(=O)c1ccsc1CC(=O)[O-] ZINC001608137698 1019090582 /nfs/dbraw/zinc/09/05/82/1019090582.db2.gz TXNCYYVLLOUKPM-QMMMGPOBSA-N -1 0 310.335 -0.033 20 0 DBADRM Cn1cnc(NC(=O)NC2(CC(=O)[O-])CCOCC2)cc1=O ZINC001608135357 1019090926 /nfs/dbraw/zinc/09/09/26/1019090926.db2.gz BDHGVBVJUAFAQL-UHFFFAOYSA-N -1 0 310.310 -0.074 20 0 DBADRM Cn1cnn(CC(=O)N(CC(=O)[O-])c2cccc(F)c2)c1=O ZINC001608137343 1019091119 /nfs/dbraw/zinc/09/11/19/1019091119.db2.gz HTLIWFFAZIEBRY-UHFFFAOYSA-N -1 0 308.269 -0.161 20 0 DBADRM Cn1cncc1CCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001608137153 1019091456 /nfs/dbraw/zinc/09/14/56/1019091456.db2.gz WNVUAPBLRWTYPB-NSHDSACASA-N -1 0 308.338 -0.456 20 0 DBADRM Cn1cnn(CCC(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)c1=O ZINC001608137847 1019091551 /nfs/dbraw/zinc/09/15/51/1019091551.db2.gz WZDKVMOEDSULFL-LBPRGKRZSA-N -1 0 320.305 -0.380 20 0 DBADRM Cn1nc(C(F)(F)F)cc1CNC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001608145341 1019092373 /nfs/dbraw/zinc/09/23/73/1019092373.db2.gz CGAOPSGBHKSLQI-UHFFFAOYSA-N -1 0 322.243 -0.220 20 0 DBADRM Cn1nc(C2CC2)nc1CN1[C@H](C(=O)[O-])CCS1(=O)=O ZINC001608147331 1019092386 /nfs/dbraw/zinc/09/23/86/1019092386.db2.gz NUOKHHWBHIBBKP-QMMMGPOBSA-N -1 0 300.340 -0.319 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)[C@](C)(O)Cn1ccccc1=O ZINC001608144325 1019092400 /nfs/dbraw/zinc/09/24/00/1019092400.db2.gz QSDZIIDTENMPNV-CQSZACIVSA-N -1 0 320.305 -0.330 20 0 DBADRM Cn1nc(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)cc1C(=O)[O-] ZINC001608149010 1019092832 /nfs/dbraw/zinc/09/28/32/1019092832.db2.gz TXBJCRZRCJOIBT-LURJTMIESA-N -1 0 306.282 -0.384 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)NC2CC(C(=O)[O-])C2)CC1 ZINC001608140526 1019093319 /nfs/dbraw/zinc/09/33/19/1019093319.db2.gz SQSIYRROHPDLPD-UHFFFAOYSA-N -1 0 308.342 -0.490 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC001608144324 1019093341 /nfs/dbraw/zinc/09/33/41/1019093341.db2.gz QSDZIIDTENMPNV-AWEZNQCLSA-N -1 0 320.305 -0.330 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC001608155763 1019093556 /nfs/dbraw/zinc/09/35/56/1019093556.db2.gz VFWVUVXGXMDTDP-CQSZACIVSA-N -1 0 322.321 -0.304 20 0 DBADRM Cn1ncc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001608155278 1019093872 /nfs/dbraw/zinc/09/38/72/1019093872.db2.gz HDPUVJAPBLHPIS-JXUBOQSCSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1nccc1[C@H](O)CNC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001608150690 1019094034 /nfs/dbraw/zinc/09/40/34/1019094034.db2.gz SQIYLNBHTDOMPT-SECBINFHSA-N -1 0 308.298 -0.293 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCC[C@@]1(C)CO ZINC001608154593 1019094178 /nfs/dbraw/zinc/09/41/78/1019094178.db2.gz CRUJJJUKVOPAOD-ZDUSSCGKSA-N -1 0 310.310 -0.570 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC001608154655 1019094294 /nfs/dbraw/zinc/09/42/94/1019094294.db2.gz FCEBPUAZZKDRJW-ZKCHVHJHSA-N -1 0 310.310 -0.524 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCc1ccccn1 ZINC001608155482 1019095000 /nfs/dbraw/zinc/09/50/00/1019095000.db2.gz SJDOADWQJGGBLG-UHFFFAOYSA-N -1 0 317.305 -0.189 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCc2cnn(C)n2)cc1C(=O)[O-] ZINC001608157681 1019095020 /nfs/dbraw/zinc/09/50/20/1019095020.db2.gz MRICWSVDQUDCKU-UHFFFAOYSA-N -1 0 306.282 -0.893 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CC([C@H]2CCOC2)C1 ZINC001608154974 1019095190 /nfs/dbraw/zinc/09/51/90/1019095190.db2.gz KNCHFOYRZNCCDW-QMMMGPOBSA-N -1 0 322.321 -0.448 20 0 DBADRM Cn1ncc(CCCNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])n1 ZINC001608157427 1019095564 /nfs/dbraw/zinc/09/55/64/1019095564.db2.gz GBMCKBDGKIHIIN-MWLCHTKSSA-N -1 0 311.342 -0.463 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@H](CO)CC1CC1 ZINC001608154543 1019095623 /nfs/dbraw/zinc/09/56/23/1019095623.db2.gz BWOKHAHUIRJHRQ-SECBINFHSA-N -1 0 324.337 -0.418 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC001608156468 1019095666 /nfs/dbraw/zinc/09/56/66/1019095666.db2.gz RETXXPHZGKSWJM-LLVKDONJSA-N -1 0 316.339 -0.183 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCc1ccc(F)cn1 ZINC001608154562 1019095737 /nfs/dbraw/zinc/09/57/37/1019095737.db2.gz CFEFGXHAMKGRIC-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1N ZINC001608156060 1019095775 /nfs/dbraw/zinc/09/57/75/1019095775.db2.gz XCHRVKXXSLGPOT-BZNPZCIMSA-N -1 0 321.337 -0.900 20 0 DBADRM Cn1ncc(CCC(=O)N[C@H](CCC2OCCO2)C(=O)[O-])n1 ZINC001608157377 1019095910 /nfs/dbraw/zinc/09/59/10/1019095910.db2.gz CNULCVKBFGWBFO-SNVBAGLBSA-N -1 0 312.326 -0.530 20 0 DBADRM Cn1nccc1COCC(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001608165130 1019096448 /nfs/dbraw/zinc/09/64/48/1019096448.db2.gz GYAZSPXWGDLBAN-GFCCVEGCSA-N -1 0 307.310 -0.388 20 0 DBADRM Cn1ncc2cc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])cnc21 ZINC001608160404 1019096726 /nfs/dbraw/zinc/09/67/26/1019096726.db2.gz BVVDSLQBNRTNDB-MRVPVSSYSA-N -1 0 314.323 -0.918 20 0 DBADRM Cn1nccc1[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)C(=O)[O-] ZINC001608162859 1019096745 /nfs/dbraw/zinc/09/67/45/1019096745.db2.gz LBSHXOQYVWPABZ-WFASDCNBSA-N -1 0 318.333 -0.492 20 0 DBADRM Cn1ncc2c1nc(COC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[nH]c2=O ZINC001608159660 1019096962 /nfs/dbraw/zinc/09/69/62/1019096962.db2.gz UEQFXLSQACGQQW-JGVFFNPUSA-N -1 0 322.277 -0.256 20 0 DBADRM Cn1ncc2cc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])cnc21 ZINC001608160405 1019097651 /nfs/dbraw/zinc/09/76/51/1019097651.db2.gz BVVDSLQBNRTNDB-QMMMGPOBSA-N -1 0 314.323 -0.918 20 0 DBADRM Cn1nccc1[C@H](NC(=O)c1cnc2c(c1)nnn2C)C(=O)[O-] ZINC001608163373 1019098033 /nfs/dbraw/zinc/09/80/33/1019098033.db2.gz SLPVXSCZXXVQTB-JTQLQIEISA-N -1 0 315.293 -0.348 20 0 DBADRM Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001608160977 1019098508 /nfs/dbraw/zinc/09/85/08/1019098508.db2.gz YBBJZTSAQXHOJQ-QXEWZRGKSA-N -1 0 320.349 -0.107 20 0 DBADRM Cn1ncc2c1nnn(CN1CC[C@@]3(C(=O)[O-])CCC[C@@H]13)c2=O ZINC001608159919 1019098528 /nfs/dbraw/zinc/09/85/28/1019098528.db2.gz AEZYKLOSQZMUIE-YGRLFVJLSA-N -1 0 318.337 -0.188 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)N[C@@H](CF)C(=O)[O-])[nH]c2=O ZINC001608158723 1019098637 /nfs/dbraw/zinc/09/86/37/1019098637.db2.gz DUBUHSCNFBIJIL-ZETCQYMHSA-N -1 0 311.273 -0.460 20 0 DBADRM Cn1nccc1S(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001608166312 1019099361 /nfs/dbraw/zinc/09/93/61/1019099361.db2.gz DBDHETPVBIAKLX-DTWKUNHWSA-N -1 0 303.340 -0.564 20 0 DBADRM Cn1nnc(CNC(=O)C(=O)Nc2ccccc2CC(=O)[O-])n1 ZINC001608166159 1019099432 /nfs/dbraw/zinc/09/94/32/1019099432.db2.gz XVTBHLIQGDJTDQ-UHFFFAOYSA-N -1 0 318.293 -0.908 20 0 DBADRM Cn1nnc2cc(C(=O)NC3(C(=O)[O-])CC(CO)C3)ccc21 ZINC001608168362 1019100887 /nfs/dbraw/zinc/10/08/87/1019100887.db2.gz PPKHKNNPZQLYQU-UHFFFAOYSA-N -1 0 304.306 -0.076 20 0 DBADRM Cn1nccc1CC(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608166026 1019101711 /nfs/dbraw/zinc/10/17/11/1019101711.db2.gz VYKVYWQZOWQPPR-MNOVXSKESA-N -1 0 306.322 -0.990 20 0 DBADRM Cn1ncnc1CCCNS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001608166358 1019101789 /nfs/dbraw/zinc/10/17/89/1019101789.db2.gz GIKDQDJCJGQNCN-UHFFFAOYSA-N -1 0 302.356 -0.468 20 0 DBADRM Cn1nnc2cc(C(=O)N3CCOC[C@@H]3CC(=O)[O-])cnc21 ZINC001608168375 1019101890 /nfs/dbraw/zinc/10/18/90/1019101890.db2.gz PXXGMLWAUOVISO-VIFPVBQESA-N -1 0 305.294 -0.321 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)Nc2cc(C(=O)[O-])ccn2)C1 ZINC001608166792 1019102117 /nfs/dbraw/zinc/10/21/17/1019102117.db2.gz ZEUSFGBWUBZBHN-UHFFFAOYSA-N -1 0 318.293 -0.356 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)Cc2ccc(C(=O)[O-])nc2)C1 ZINC001608168687 1019103968 /nfs/dbraw/zinc/10/39/68/1019103968.db2.gz XWVARQWZKMTMOF-UHFFFAOYSA-N -1 0 317.305 -0.819 20 0 DBADRM Cn1nncc1C(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001608168707 1019104267 /nfs/dbraw/zinc/10/42/67/1019104267.db2.gz YEFZVWQIEQFJGI-QMMMGPOBSA-N -1 0 317.309 -0.688 20 0 DBADRM Cn1nnc2c1CC[C@@H](NC(=O)NCCSCC(=O)[O-])C2 ZINC001608168796 1019104864 /nfs/dbraw/zinc/10/48/64/1019104864.db2.gz XGJQVRNDZGWFNN-MRVPVSSYSA-N -1 0 313.383 -0.211 20 0 DBADRM Cn1nnc2ccc(C(=O)NC3(C(=O)[O-])CC(CO)C3)cc21 ZINC001608168730 1019105122 /nfs/dbraw/zinc/10/51/22/1019105122.db2.gz YYNCJMLDGMEQLW-UHFFFAOYSA-N -1 0 304.306 -0.076 20 0 DBADRM NC(=O)C1(NC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC001608228338 1019115075 /nfs/dbraw/zinc/11/50/75/1019115075.db2.gz MBQFCUDUNKRDCO-UHFFFAOYSA-N -1 0 309.253 -0.404 20 0 DBADRM NC(=O)[C@@H]1CCCN1S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001608240148 1019131172 /nfs/dbraw/zinc/13/11/72/1019131172.db2.gz MIUJXXCKAFSOCG-GUBZILKMSA-N -1 0 304.368 -0.091 20 0 DBADRM NC(=O)[C@@]1(NS(=O)(=O)c2ccccc2C(=O)[O-])CCOC1 ZINC001608229790 1019117879 /nfs/dbraw/zinc/11/78/79/1019117879.db2.gz PFQPQVDNACPJEC-GFCCVEGCSA-N -1 0 314.319 -0.693 20 0 DBADRM NC(=O)C1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CC1 ZINC001608230935 1019118075 /nfs/dbraw/zinc/11/80/75/1019118075.db2.gz IJWHCQPBWJFILD-UHFFFAOYSA-N -1 0 304.368 -0.232 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC001608230041 1019118301 /nfs/dbraw/zinc/11/83/01/1019118301.db2.gz QWJDIQXUJGVYLU-UHFFFAOYSA-N -1 0 310.281 -0.024 20 0 DBADRM NC(=O)[C@H]1CN(c2ncc(C(=O)[O-])cc2Cl)C[C@@H]1C(N)=O ZINC001608230675 1019118352 /nfs/dbraw/zinc/11/83/52/1019118352.db2.gz YRMKMEPUASRTLE-BQBZGAKWSA-N -1 0 312.713 -0.544 20 0 DBADRM NC(=O)CC(=O)N[C@@H](CNc1ncc(C(=O)[O-])cn1)C1CC1 ZINC001608229669 1019118498 /nfs/dbraw/zinc/11/84/98/1019118498.db2.gz OIYLKOMVHZMVSH-VIFPVBQESA-N -1 0 307.310 -0.643 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)C[C@H]1C(N)=O ZINC001608230783 1019119586 /nfs/dbraw/zinc/11/95/86/1019119586.db2.gz ZPMLYSSPNIPPGU-ZHPKYIQNSA-N -1 0 323.349 -0.933 20 0 DBADRM NC(=O)CC(=O)N1CCCC2(CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)C1 ZINC001608230664 1019120160 /nfs/dbraw/zinc/12/01/60/1019120160.db2.gz YKDXXACHOYQHLO-UWVGGRQHSA-N -1 0 323.349 -0.967 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001608229744 1019120267 /nfs/dbraw/zinc/12/02/67/1019120267.db2.gz NRZFTFFACLPJIA-QRTLGDNMSA-N -1 0 306.322 -0.306 20 0 DBADRM NC(=O)CC(=O)N[C@H](CNc1ncc(C(=O)[O-])cn1)C1CC1 ZINC001608229668 1019120454 /nfs/dbraw/zinc/12/04/54/1019120454.db2.gz OIYLKOMVHZMVSH-SECBINFHSA-N -1 0 307.310 -0.643 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)Cc2ccc(C(=O)[O-])nc2)O1 ZINC001608231982 1019121778 /nfs/dbraw/zinc/12/17/78/1019121778.db2.gz IZRUADYFDQHOCX-ONGXEEELSA-N -1 0 307.306 -0.529 20 0 DBADRM NC(=O)C[C@@H]1COCCN1Cc1noc(CCCC(=O)[O-])n1 ZINC001608232098 1019122274 /nfs/dbraw/zinc/12/22/74/1019122274.db2.gz MTYLANQEWVRAJF-SECBINFHSA-N -1 0 312.326 -0.447 20 0 DBADRM NC(=O)CC1CN(C(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC001608231716 1019123702 /nfs/dbraw/zinc/12/37/02/1019123702.db2.gz JTAKYMQXOKNWDR-UHFFFAOYSA-N -1 0 323.280 -0.204 20 0 DBADRM NC(=O)COc1cccc(NC(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001608236299 1019125095 /nfs/dbraw/zinc/12/50/95/1019125095.db2.gz UTLNBTPFDPMPME-SECBINFHSA-N -1 0 311.294 -0.492 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)C1 ZINC001608236702 1019125810 /nfs/dbraw/zinc/12/58/10/1019125810.db2.gz FOFJTMAHUFOCRP-DCAQKATOSA-N -1 0 313.354 -0.369 20 0 DBADRM NC(=O)CN1Cc2ccc(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])cc2C1 ZINC001608235077 1019126169 /nfs/dbraw/zinc/12/61/69/1019126169.db2.gz SNCJWYKCPWFKPP-STQMWFEESA-N -1 0 317.345 -0.176 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cn1 ZINC001608242593 1019128954 /nfs/dbraw/zinc/12/89/54/1019128954.db2.gz HGBKNDBQYCGHNJ-CYBMUJFWSA-N -1 0 321.333 -0.593 20 0 DBADRM NC(=O)NCCC(=O)NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001608238639 1019129788 /nfs/dbraw/zinc/12/97/88/1019129788.db2.gz WVPLRMGKWVQTGG-UHFFFAOYSA-N -1 0 305.294 -0.064 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC001608242503 1019129877 /nfs/dbraw/zinc/12/98/77/1019129877.db2.gz DXKPPBMBGRYDCW-LLVKDONJSA-N -1 0 319.317 -0.870 20 0 DBADRM NC(=O)[C@H](CO)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001608240753 1019130268 /nfs/dbraw/zinc/13/02/68/1019130268.db2.gz XOZGVNWVJCZWEA-JTQLQIEISA-N -1 0 305.290 -0.698 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC001608241041 1019130283 /nfs/dbraw/zinc/13/02/83/1019130283.db2.gz XKPYGJAASBURGE-SVRRBLITSA-N -1 0 313.335 -0.695 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)O1 ZINC001608240539 1019130417 /nfs/dbraw/zinc/13/04/17/1019130417.db2.gz UCJCQJUOEHBZFZ-BUYFANAVSA-N -1 0 324.255 -0.115 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001608240495 1019130461 /nfs/dbraw/zinc/13/04/61/1019130461.db2.gz OHCTVCNMNWZASV-TVLCNXBWSA-N -1 0 309.322 -0.280 20 0 DBADRM NC(=O)N[C@H]1CCN(C(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001608238490 1019130849 /nfs/dbraw/zinc/13/08/49/1019130849.db2.gz UHFWWRWUXIGHBW-ZETCQYMHSA-N -1 0 312.282 -0.841 20 0 DBADRM NC(=O)[C@@H]1CCCN1S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001608240156 1019130915 /nfs/dbraw/zinc/13/09/15/1019130915.db2.gz MIUJXXCKAFSOCG-LPEHRKFASA-N -1 0 304.368 -0.091 20 0 DBADRM NC(=O)NC1CCC(C(=O)OCC(=O)NCCC(=O)[O-])CC1 ZINC001608238767 1019131234 /nfs/dbraw/zinc/13/12/34/1019131234.db2.gz ZPFNHVCXGQNIIG-UHFFFAOYSA-N -1 0 315.326 -0.652 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001608246584 1019132274 /nfs/dbraw/zinc/13/22/74/1019132274.db2.gz YGNJNSGHBDEJBB-JTQLQIEISA-N -1 0 321.333 -0.101 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)o1 ZINC001608243667 1019132421 /nfs/dbraw/zinc/13/24/21/1019132421.db2.gz WXEFOKHTGNCFTP-ZDUSSCGKSA-N -1 0 307.262 -0.176 20 0 DBADRM NC(=O)c1cccc(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001608246254 1019132623 /nfs/dbraw/zinc/13/26/23/1019132623.db2.gz NXHXPICXJAQIGR-RYUDHWBXSA-N -1 0 321.333 -0.238 20 0 DBADRM NC(=O)c1cn(C2CN(C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)C2)nn1 ZINC001608246886 1019132815 /nfs/dbraw/zinc/13/28/15/1019132815.db2.gz IKKZQCIIQCXCEP-BDAKNGLRSA-N -1 0 321.337 -0.349 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cn1 ZINC001608243680 1019132914 /nfs/dbraw/zinc/13/29/14/1019132914.db2.gz XREQLRKCIANDKW-LLVKDONJSA-N -1 0 307.306 -0.522 20 0 DBADRM NC(=O)c1ccc(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)cn1 ZINC001608242930 1019133327 /nfs/dbraw/zinc/13/33/27/1019133327.db2.gz KLTQSXGEGSCWGO-ZJUUUORDSA-N -1 0 307.306 -0.352 20 0 DBADRM NC(=O)c1ccccc1CCC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001608246485 1019133443 /nfs/dbraw/zinc/13/34/43/1019133443.db2.gz UXVCCASAKLJZLW-HNNXBMFYSA-N -1 0 306.318 -0.234 20 0 DBADRM NC(=O)c1cccc(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001608245720 1019133549 /nfs/dbraw/zinc/13/35/49/1019133549.db2.gz HDPIRASATZGQAM-YUMQZZPRSA-N -1 0 308.294 -0.520 20 0 DBADRM NC(=O)c1csc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1 ZINC001608246128 1019134408 /nfs/dbraw/zinc/13/44/08/1019134408.db2.gz VOEAYMPWFWTQFI-UHFFFAOYSA-N -1 0 321.318 -0.166 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC001608246501 1019134481 /nfs/dbraw/zinc/13/44/81/1019134481.db2.gz VMVBJKZFYZZDBC-GFCCVEGCSA-N -1 0 316.310 -0.027 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001608246476 1019134913 /nfs/dbraw/zinc/13/49/13/1019134913.db2.gz ULMYFLCPWPPAPR-UHFFFAOYSA-N -1 0 321.333 -0.461 20 0 DBADRM NCC(F)(F)CNC(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001608252985 1019136082 /nfs/dbraw/zinc/13/60/82/1019136082.db2.gz RVBUXDXWDTYLLD-QMMMGPOBSA-N -1 0 307.297 -0.686 20 0 DBADRM NC(=O)c1ncn(CC(=O)NC2(C(=O)[O-])CCCCCC2)n1 ZINC001608248847 1019137372 /nfs/dbraw/zinc/13/73/72/1019137372.db2.gz QETKNZIRVGYBNG-UHFFFAOYSA-N -1 0 309.326 -0.329 20 0 DBADRM NC(=O)c1ncn(CC(=O)NCCc2ccc(C(=O)[O-])cc2)n1 ZINC001608248912 1019138461 /nfs/dbraw/zinc/13/84/61/1019138461.db2.gz RYDPGVYJWSPMQC-UHFFFAOYSA-N -1 0 317.305 -0.566 20 0 DBADRM NS(=O)(=O)CCCCCCC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001608260095 1019139545 /nfs/dbraw/zinc/13/95/45/1019139545.db2.gz BWOFMQWMHMZRQV-GFCCVEGCSA-N -1 0 322.383 -0.727 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(Cc2cc(C(=O)[O-])no2)C1 ZINC001608259371 1019139985 /nfs/dbraw/zinc/13/99/85/1019139985.db2.gz JPNVEUOJRVADMZ-QMMMGPOBSA-N -1 0 303.340 -0.127 20 0 DBADRM NS(=O)(=O)C1(C(=O)Nc2nc(CC(=O)[O-])cs2)CC1 ZINC001608259159 1019140536 /nfs/dbraw/zinc/14/05/36/1019140536.db2.gz WIVKDKZBKAUFNX-UHFFFAOYSA-N -1 0 305.337 -0.470 20 0 DBADRM [NH3+]CC[C@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)C(=O)[O-] ZINC001608257567 1019141087 /nfs/dbraw/zinc/14/10/87/1019141087.db2.gz YHQFOTDQLIPGFK-VIFPVBQESA-N -1 0 320.298 -0.396 20 0 DBADRM NS(=O)(=O)C1(C(=O)Nc2cccc(C(=O)[O-])c2O)CC1 ZINC001608258747 1019141495 /nfs/dbraw/zinc/14/14/95/1019141495.db2.gz NLCSFBLHPAUDRV-UHFFFAOYSA-N -1 0 300.292 -0.150 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001608259314 1019141793 /nfs/dbraw/zinc/14/17/93/1019141793.db2.gz IDWGVDXHWCYISJ-LPEHRKFASA-N -1 0 304.368 -0.376 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)O[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001608260939 1019142768 /nfs/dbraw/zinc/14/27/68/1019142768.db2.gz DDAOAMNCZZHSAS-SECBINFHSA-N -1 0 306.340 -0.692 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2CC(=O)[O-])ccn1 ZINC001608260915 1019143101 /nfs/dbraw/zinc/14/31/01/1019143101.db2.gz CGIGHWBURGCMIL-VIFPVBQESA-N -1 0 313.335 -0.192 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)s1 ZINC001608262834 1019143312 /nfs/dbraw/zinc/14/33/12/1019143312.db2.gz DXUMCWNIGFNMQW-HTQZYQBOSA-N -1 0 320.392 -0.337 20 0 DBADRM NS(=O)(=O)N1CCN(c2ncc(C(=O)[O-])cc2Cl)CC1 ZINC001608261470 1019143474 /nfs/dbraw/zinc/14/34/74/1019143474.db2.gz TXMRZJWQFSUILP-UHFFFAOYSA-N -1 0 320.758 -0.241 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@@H](CF)C(=O)[O-])s1 ZINC001608261893 1019144668 /nfs/dbraw/zinc/14/46/68/1019144668.db2.gz XERZGZHJMQPPJF-LURJTMIESA-N -1 0 310.328 -0.523 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)OCCCC(=O)C(=O)[O-])cc1 ZINC001608261412 1019144781 /nfs/dbraw/zinc/14/47/81/1019144781.db2.gz ISIWTFKKBINDRN-UHFFFAOYSA-N -1 0 315.303 -0.075 20 0 DBADRM Nc1c(C(=O)N2CC(O)(C(=O)[O-])C2)cnn1-c1ccccc1 ZINC001608268334 1019146748 /nfs/dbraw/zinc/14/67/48/1019146748.db2.gz GSTCHNIKNRTFFD-UHFFFAOYSA-N -1 0 302.290 -0.274 20 0 DBADRM Nc1nc(C2CCCC2)ncc1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001608276168 1019148569 /nfs/dbraw/zinc/14/85/69/1019148569.db2.gz WOROWIOOVYUHSN-UHFFFAOYSA-N -1 0 306.322 -0.012 20 0 DBADRM Nc1ncc2c(n1)CN(C(=O)Cn1cc(C(=O)[O-])cn1)CC2 ZINC001608276972 1019148671 /nfs/dbraw/zinc/14/86/71/1019148671.db2.gz QVQFKCQODKADNO-UHFFFAOYSA-N -1 0 302.294 -0.462 20 0 DBADRM Nc1nc(C2CC2)nc(N2CCN(C(=O)CC(=O)[O-])CC2)n1 ZINC001608273859 1019149476 /nfs/dbraw/zinc/14/94/76/1019149476.db2.gz DYNPUUSWASUJGB-UHFFFAOYSA-N -1 0 306.326 -0.546 20 0 DBADRM Nc1nc(N)nc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)n1 ZINC001608276494 1019149797 /nfs/dbraw/zinc/14/97/97/1019149797.db2.gz BJQARMOLBCTVMQ-VIFPVBQESA-N -1 0 306.248 -0.125 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CC1(O)CCOCC1)[C@H]1CCOC1 ZINC001608291783 1019150741 /nfs/dbraw/zinc/15/07/41/1019150741.db2.gz ROPBTFGJBVZURC-QWRGUYRKSA-N -1 0 301.339 -0.229 20 0 DBADRM Nc1n[nH]c(C2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)CC2)n1 ZINC001608279634 1019150823 /nfs/dbraw/zinc/15/08/23/1019150823.db2.gz JACMLOLPYKNRRD-BDAKNGLRSA-N -1 0 309.326 -0.275 20 0 DBADRM O=C(/C=C\CN1CCOCC1)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001608282461 1019152819 /nfs/dbraw/zinc/15/28/19/1019152819.db2.gz VRRBHWGQXHHYAP-RFMOXSJOSA-N -1 0 314.338 -0.793 20 0 DBADRM O=C([O-])[C@@H](CCF)NC(=O)CCN1C(=O)CCNC1=S ZINC001608309286 1019154164 /nfs/dbraw/zinc/15/41/64/1019154164.db2.gz LVGZVZKJGDWBDR-SSDOTTSWSA-N -1 0 305.331 -0.588 20 0 DBADRM O=C([O-])C12CCC(CC1)N2C(=O)C[C@@H]1CNCCS1(=O)=O ZINC001608297475 1019154682 /nfs/dbraw/zinc/15/46/82/1019154682.db2.gz RFJFRRQRKYEZPY-RUETXSTFSA-N -1 0 316.379 -0.629 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CCN2C(=O)COc3ccccc32)C1 ZINC001608308026 1019156534 /nfs/dbraw/zinc/15/65/34/1019156534.db2.gz IBVGFKZTSHPANN-UHFFFAOYSA-N -1 0 320.301 -0.540 20 0 DBADRM O=C(CC[C@@H]1NC(=O)NC1=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001608303683 1019156805 /nfs/dbraw/zinc/15/68/05/1019156805.db2.gz IXLXTDXJVABQDH-UPONEAKYSA-N -1 0 301.324 -0.949 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CC[C@H]1CC[C@@H](C2OCCO2)O1 ZINC001608300011 1019156955 /nfs/dbraw/zinc/15/69/55/1019156955.db2.gz ATAOCSBFSKUDIC-UTLUCORTSA-N -1 0 303.311 -0.751 20 0 DBADRM O=C([O-])c1cnc(NCCNC(=O)CCn2ccnn2)nc1 ZINC001608325456 1019157593 /nfs/dbraw/zinc/15/75/93/1019157593.db2.gz WMOGMICONMENJM-UHFFFAOYSA-N -1 0 305.298 -0.615 20 0 DBADRM O=C([O-])c1c[nH]c(=O)c(NC(=O)CCN2C(=O)CCC2=O)c1 ZINC001608309746 1019158354 /nfs/dbraw/zinc/15/83/54/1019158354.db2.gz XVPYEQFQLMJVCX-UHFFFAOYSA-N -1 0 307.262 -0.037 20 0 DBADRM O=C([O-])C1(OC(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC001608311366 1019160074 /nfs/dbraw/zinc/16/00/74/1019160074.db2.gz IYQYWSCDDCPZFL-UHFFFAOYSA-N -1 0 314.319 -0.090 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@H](CO)c2cccnc2)C1=O ZINC001608331219 1019161060 /nfs/dbraw/zinc/16/10/60/1019161060.db2.gz RUZGPHFFIYXYKH-VXGBXAGGSA-N -1 0 321.333 -0.446 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2CCn3cncc32)C1=O ZINC001608329823 1019161637 /nfs/dbraw/zinc/16/16/37/1019161637.db2.gz HHGFYWBDQXHHAJ-UWVGGRQHSA-N -1 0 306.322 -0.233 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NC[C@H](CO)CC2CC2)C1=O ZINC001608330336 1019161723 /nfs/dbraw/zinc/16/17/23/1019161723.db2.gz NESXDICPNDTLMS-NEPJUHHUSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C(CN1CCC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1)NC1CC1 ZINC001608326962 1019162516 /nfs/dbraw/zinc/16/25/16/1019162516.db2.gz IIMSAJFHFHPVEQ-VXGBXAGGSA-N -1 0 309.366 -0.434 20 0 DBADRM O=C(CN1CCCC2(CC2)S1(=O)=O)NCC1(C(=O)[O-])CC1 ZINC001608330700 1019162679 /nfs/dbraw/zinc/16/26/79/1019162679.db2.gz KLULZOKEUVBVDV-UHFFFAOYSA-N -1 0 316.379 -0.074 20 0 DBADRM O=C([O-])C1(NC(=O)CN2C[C@H](O)[C@@H](CO)C2)CCCCC1 ZINC001608327086 1019162759 /nfs/dbraw/zinc/16/27/59/1019162759.db2.gz CQNYQLBVVFRSDW-MNOVXSKESA-N -1 0 300.355 -0.825 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CN1CCOC1=O)Cc1ccncc1 ZINC001608334065 1019163320 /nfs/dbraw/zinc/16/33/20/1019163320.db2.gz WKIRWTZOJAKNBY-LLVKDONJSA-N -1 0 307.306 -0.107 20 0 DBADRM O=C([O-])[C@@H]1CC=C[C@H](OC(=O)CN2CCCS2(=O)=O)C1 ZINC001608331354 1019164019 /nfs/dbraw/zinc/16/40/19/1019164019.db2.gz QCURRNOIRUCOFL-ZJUUUORDSA-N -1 0 303.336 -0.016 20 0 DBADRM O=C(CN1CCCC1=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001608331688 1019164450 /nfs/dbraw/zinc/16/44/50/1019164450.db2.gz UNBWMPRVJZMDCX-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM O=C(CN1CCCCC(=O)C1=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001608331430 1019164670 /nfs/dbraw/zinc/16/46/70/1019164670.db2.gz RKFJRNSCLFYIOR-CYBMUJFWSA-N -1 0 314.363 -0.356 20 0 DBADRM O=C([O-])c1sccc1NC(=O)CN1C[C@@H](O)C[C@H]1CO ZINC001608336813 1019164814 /nfs/dbraw/zinc/16/48/14/1019164814.db2.gz NLNYHFZZEZEGLP-YUMQZZPRSA-N -1 0 300.336 -0.188 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)COCc2cc[nH]c(=O)c2)nn1 ZINC001608349032 1019165419 /nfs/dbraw/zinc/16/54/19/1019165419.db2.gz RRMNHGWNNIEWKT-UHFFFAOYSA-N -1 0 321.293 -0.590 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CCNC(=O)CO)c2ccccc2O1 ZINC001608342815 1019165813 /nfs/dbraw/zinc/16/58/13/1019165813.db2.gz HJYDUMCRCPXBNH-NSHDSACASA-N -1 0 308.290 -0.636 20 0 DBADRM O=C([O-])C1(NC(=O)COCC(=O)NCc2cccnc2)CC1 ZINC001608346817 1019167016 /nfs/dbraw/zinc/16/70/16/1019167016.db2.gz GYFOIJPBOHSQPE-UHFFFAOYSA-N -1 0 307.306 -0.552 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NC[C@]1(O)CCOC1 ZINC001608348327 1019167085 /nfs/dbraw/zinc/16/70/85/1019167085.db2.gz LNLMHNJRWTUADG-GFCCVEGCSA-N -1 0 300.267 -0.843 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001608352420 1019167201 /nfs/dbraw/zinc/16/72/01/1019167201.db2.gz AVYBODJLXHYVCR-SECBINFHSA-N -1 0 321.351 -0.714 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)Cc2ccoc2)n1 ZINC001608369147 1019169649 /nfs/dbraw/zinc/16/96/49/1019169649.db2.gz OAOPJPSMFRHNKG-JTQLQIEISA-N -1 0 320.305 -0.679 20 0 DBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001608354672 1019170022 /nfs/dbraw/zinc/17/00/22/1019170022.db2.gz TXNQBOXBQGQBDB-YIZRAAEISA-N -1 0 307.393 -0.114 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 ZINC001608373193 1019172965 /nfs/dbraw/zinc/17/29/65/1019172965.db2.gz HIQJTNLFVYVCRE-AWEZNQCLSA-N -1 0 305.290 -0.210 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NC[C@@H]2CCCS2(=O)=O)c1 ZINC001608374904 1019173534 /nfs/dbraw/zinc/17/35/34/1019173534.db2.gz HZSRQUOCKLHAMN-VIFPVBQESA-N -1 0 301.324 -0.725 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCCN2CCC3(C2)OCCO3)n1 ZINC001608377765 1019174860 /nfs/dbraw/zinc/17/48/60/1019174860.db2.gz FDNDKPNXTNQYOJ-UHFFFAOYSA-N -1 0 324.337 -0.854 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)[C@H]1CCc2nncn2CC1 ZINC001608397653 1019178104 /nfs/dbraw/zinc/17/81/04/1019178104.db2.gz XIKYTXRXCZUIIP-UWVGGRQHSA-N -1 0 324.337 -0.437 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC001608398552 1019178687 /nfs/dbraw/zinc/17/86/87/1019178687.db2.gz GAKLMAXWUIFJTG-JTQLQIEISA-N -1 0 323.280 -0.109 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1ccnc2[nH]cnc21 ZINC001608400582 1019179161 /nfs/dbraw/zinc/17/91/61/1019179161.db2.gz CRKFRCPWLWEQOZ-QMMMGPOBSA-N -1 0 301.266 -0.567 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cccc2c1OCO2 ZINC001608401591 1019179384 /nfs/dbraw/zinc/17/93/84/1019179384.db2.gz LMQSFXBBRRBPES-SECBINFHSA-N -1 0 304.262 -0.110 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cn2ccccc2n1 ZINC001608402771 1019179749 /nfs/dbraw/zinc/17/97/49/1019179749.db2.gz UOHWDQVPBQPHFX-SNVBAGLBSA-N -1 0 300.278 -0.191 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC001608411514 1019182033 /nfs/dbraw/zinc/18/20/33/1019182033.db2.gz OJEQGXJRWWINBW-OPRDCNLKSA-N -1 0 306.322 -0.117 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)no1 ZINC001608410228 1019182491 /nfs/dbraw/zinc/18/24/91/1019182491.db2.gz KQZUTTXJEBJNFX-SSDOTTSWSA-N -1 0 319.277 -0.123 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(C(=O)C(=O)NC1CCOCC1)CC2 ZINC001608412734 1019182827 /nfs/dbraw/zinc/18/28/27/1019182827.db2.gz NWLVGEZCRUJQCH-NSHDSACASA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2cnccn2)CC1 ZINC001608409422 1019182919 /nfs/dbraw/zinc/18/29/19/1019182919.db2.gz AWGZKZKUBFTFRM-QWRGUYRKSA-N -1 0 318.333 -0.082 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C=C1CCC1 ZINC001502812368 1019182993 /nfs/dbraw/zinc/18/29/93/1019182993.db2.gz SPVNQGOCEPQGPU-VIFPVBQESA-N -1 0 320.349 -0.169 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC001608411200 1019183131 /nfs/dbraw/zinc/18/31/31/1019183131.db2.gz VGHYSTAZNXIHND-VHSXEESVSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)CNC(=O)c1cccs1 ZINC001608414402 1019183344 /nfs/dbraw/zinc/18/33/44/1019183344.db2.gz GBEQEVLUICCWDP-GZMMTYOYSA-N -1 0 312.347 -0.086 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCOC1 ZINC001608416033 1019184396 /nfs/dbraw/zinc/18/43/96/1019184396.db2.gz MHIPARGYSGUXQX-SCVCMEIPSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2cnsn2)CC1 ZINC001608429301 1019184533 /nfs/dbraw/zinc/18/45/33/1019184533.db2.gz ANNNWZVYRDVEKJ-NKWVEPMBSA-N -1 0 310.335 -0.363 20 0 DBADRM O=C([O-])c1c(F)ccc(NC(=O)C(=O)NC[C@H](O)CO)c1F ZINC001608425399 1019184700 /nfs/dbraw/zinc/18/47/00/1019184700.db2.gz XICCTOAYGUFZBC-YFKPBYRVSA-N -1 0 318.232 -0.929 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)C2CC=CC2)C1 ZINC001608430228 1019184990 /nfs/dbraw/zinc/18/49/90/1019184990.db2.gz JGWLIFVSYUEVDP-GHMZBOCLSA-N -1 0 308.334 -0.637 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCOC1 ZINC001608415286 1019185083 /nfs/dbraw/zinc/18/50/83/1019185083.db2.gz FNSKZRPCMQHYIS-MXWKQRLJSA-N -1 0 319.379 -0.335 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)C2=CS(=O)(=O)CCC2)CCOC1 ZINC001608427734 1019185100 /nfs/dbraw/zinc/18/51/00/1019185100.db2.gz CIXLKBBGUJOHEO-GFCCVEGCSA-N -1 0 303.336 -0.314 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(O)(CNC(=O)C(F)F)CC1 ZINC001608430952 1019185178 /nfs/dbraw/zinc/18/51/78/1019185178.db2.gz SIXNTNHGOZWQAH-JGVFFNPUSA-N -1 0 320.292 -0.558 20 0 DBADRM O=C([O-])C1(CNC(=O)c2nc3ncc(CCO)cn3n2)CC1 ZINC001608425968 1019185951 /nfs/dbraw/zinc/18/59/51/1019185951.db2.gz IJXXNMQFLFJGPI-UHFFFAOYSA-N -1 0 305.294 -0.746 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2csnn2)C1 ZINC001608439916 1019187513 /nfs/dbraw/zinc/18/75/13/1019187513.db2.gz ZLBZGXWWVKVUJR-HTQZYQBOSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001608439437 1019188649 /nfs/dbraw/zinc/18/86/49/1019188649.db2.gz UCPLYGVHVKSCQK-QWRGUYRKSA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCC[C@]1(O)CCOC1 ZINC001608438928 1019188849 /nfs/dbraw/zinc/18/88/49/1019188849.db2.gz LXJDHFWUIKLSPP-BREBYQMCSA-N -1 0 302.327 -0.683 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001608439439 1019189562 /nfs/dbraw/zinc/18/95/62/1019189562.db2.gz UCPLYGVHVKSCQK-WDEREUQCSA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])c1c(NC(=O)NCCn2cncn2)nc2n1CCC2 ZINC001608455180 1019190713 /nfs/dbraw/zinc/19/07/13/1019190713.db2.gz FHBLPGRFHQTKPC-UHFFFAOYSA-N -1 0 305.298 -0.059 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)c2ccc(=O)[nH]c2)n1 ZINC001608447751 1019191053 /nfs/dbraw/zinc/19/10/53/1019191053.db2.gz BBHIKQAXJVHJTE-UHFFFAOYSA-N -1 0 303.278 -0.461 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC001608440419 1019191137 /nfs/dbraw/zinc/19/11/37/1019191137.db2.gz DEVUUQOPVOODJA-CKIKVBCHSA-N -1 0 324.377 -0.167 20 0 DBADRM O=C([O-])c1ccc(NC(=O)NCCN2C(=O)CNC2=O)nc1 ZINC001608445372 1019191233 /nfs/dbraw/zinc/19/12/33/1019191233.db2.gz LMYDKFCBBMKDCD-UHFFFAOYSA-N -1 0 307.266 -0.547 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@H]2Cc3cncn3C2)nn1 ZINC001608456396 1019191294 /nfs/dbraw/zinc/19/12/94/1019191294.db2.gz UMWKPIFAAPWJPR-QMMMGPOBSA-N -1 0 305.298 -0.903 20 0 DBADRM O=C([O-])c1ccc(NC(=O)NCCCN2C(=O)CNC2=O)cn1 ZINC001608443896 1019191465 /nfs/dbraw/zinc/19/14/65/1019191465.db2.gz NQPVKPKAOQEAEU-UHFFFAOYSA-N -1 0 321.293 -0.157 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)nn1 ZINC001608456106 1019191706 /nfs/dbraw/zinc/19/17/06/1019191706.db2.gz NRHZPWJYMDDRKV-RMAYHROUSA-N -1 0 307.310 -0.549 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001608460193 1019192131 /nfs/dbraw/zinc/19/21/31/1019192131.db2.gz BBSMWGSFDIZSCX-XWLWVQCSSA-N -1 0 324.333 -0.394 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@H]1COCc2ccccc21 ZINC001608457927 1019192563 /nfs/dbraw/zinc/19/25/63/1019192563.db2.gz TYZTXZFLKDYXFF-QWRGUYRKSA-N -1 0 310.281 -0.087 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCOC[C@H]1CC1CC1 ZINC001608460214 1019192742 /nfs/dbraw/zinc/19/27/42/1019192742.db2.gz CBNZHLILDRNUDL-IJLUTSLNSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@@H]1COCc2ccccc21 ZINC001608457928 1019192858 /nfs/dbraw/zinc/19/28/58/1019192858.db2.gz TYZTXZFLKDYXFF-WDEREUQCSA-N -1 0 310.281 -0.087 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CO)[C@@H]1CCCOC1 ZINC001608458308 1019192882 /nfs/dbraw/zinc/19/28/82/1019192882.db2.gz ICDHHXFUCQTVKZ-WISYIIOYSA-N -1 0 316.354 -0.437 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)c2cnsn2)C1 ZINC001608461261 1019193893 /nfs/dbraw/zinc/19/38/93/1019193893.db2.gz RZDRPXXCFFXVRO-JBDRJPRFSA-N -1 0 324.362 -0.117 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NC[C@]1(OCCO)CCOC1 ZINC001608460777 1019193944 /nfs/dbraw/zinc/19/39/44/1019193944.db2.gz JROWRKTZNOSIBZ-GIPNMCIBSA-N -1 0 302.327 -0.826 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001608486889 1019195054 /nfs/dbraw/zinc/19/50/54/1019195054.db2.gz LAJFPLLJTWWZGZ-FBIMIBRVSA-N -1 0 320.309 -0.877 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001608487303 1019195529 /nfs/dbraw/zinc/19/55/29/1019195529.db2.gz BHEGOYJEGOQRLW-FPYNETTCSA-N -1 0 324.377 -0.025 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2cnns2)C1 ZINC001608491539 1019195884 /nfs/dbraw/zinc/19/58/84/1019195884.db2.gz LFJCQCYNLVARSQ-FKSUSPILSA-N -1 0 310.335 -0.364 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2cccnn2)C1 ZINC001608492226 1019195973 /nfs/dbraw/zinc/19/59/73/1019195973.db2.gz WSZVTMLCNZYVFH-UTINFBMNSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)c2cnon2)CC1 ZINC001608489159 1019196320 /nfs/dbraw/zinc/19/63/20/1019196320.db2.gz MNHKFKAMBCERCE-XKNYDFJKSA-N -1 0 322.321 -0.053 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2cnns2)C1 ZINC001608491541 1019196736 /nfs/dbraw/zinc/19/67/36/1019196736.db2.gz LFJCQCYNLVARSQ-ULAWRXDQSA-N -1 0 310.335 -0.364 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001608492574 1019196854 /nfs/dbraw/zinc/19/68/54/1019196854.db2.gz LLWNINOPGZHWEC-DBIOUOCHSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)c3cn[nH]c3)C2)n1 ZINC001608487337 1019196880 /nfs/dbraw/zinc/19/68/80/1019196880.db2.gz BTOJYBNYMSQNFU-SECBINFHSA-N -1 0 302.294 -0.093 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CC(c2ccccn2)=NO1 ZINC001608488508 1019196968 /nfs/dbraw/zinc/19/69/68/1019196968.db2.gz WVTDEYDJGCABDF-MVWJERBFSA-N -1 0 305.290 -0.067 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001608491340 1019197020 /nfs/dbraw/zinc/19/70/20/1019197020.db2.gz ADMFYGREYMBNNO-JXUBOQSCSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001608492442 1019197438 /nfs/dbraw/zinc/19/74/38/1019197438.db2.gz GBWFMABTDFKBQC-BGZDPUMWSA-N -1 0 307.310 -0.850 20 0 DBADRM O=C([O-])[C@H](CCF)NS(=O)(=O)CCOC1CCOCC1 ZINC001608537648 1019200164 /nfs/dbraw/zinc/20/01/64/1019200164.db2.gz YMHCIHAZQAZTRT-JTQLQIEISA-N -1 0 313.347 -0.086 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)[C@H]1CCCn2ncnc21 ZINC001608534590 1019200344 /nfs/dbraw/zinc/20/03/44/1019200344.db2.gz FVMUPROQGJMPIK-IUCAKERBSA-N -1 0 310.310 -0.512 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)CC[C@H]1CC1(Cl)Cl ZINC001608540878 1019201007 /nfs/dbraw/zinc/20/10/07/1019201007.db2.gz WESVBTHCDJZBDO-WDSKDSINSA-N -1 0 306.167 -0.065 20 0 DBADRM O=C([O-])[C@H](CNC(=O)N1CCS(=O)(=O)CC1)[C@@H]1CCOC1 ZINC001608537019 1019201291 /nfs/dbraw/zinc/20/12/91/1019201291.db2.gz OJZAYFSYPWRALX-NXEZZACHSA-N -1 0 320.367 -0.836 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)CC[C@@H]1CC1(Cl)Cl ZINC001608540874 1019202251 /nfs/dbraw/zinc/20/22/51/1019202251.db2.gz WESVBTHCDJZBDO-PHDIDXHHSA-N -1 0 306.167 -0.065 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCNC1=O)Cc1ccc(O)cc1 ZINC001608537058 1019202465 /nfs/dbraw/zinc/20/24/65/1019202465.db2.gz ORBSQIBQAKDDBX-ZYHUDNBSSA-N -1 0 306.318 -0.112 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C2(CO)CCOCC2)CC1 ZINC001608554463 1019204448 /nfs/dbraw/zinc/20/44/48/1019204448.db2.gz QHMPLTHSBUHVRG-LLVKDONJSA-N -1 0 301.339 -0.540 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(Cc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC001608557871 1019204694 /nfs/dbraw/zinc/20/46/94/1019204694.db2.gz PTAHMTLRMXMAOZ-SMDDNHRTSA-N -1 0 324.381 -0.028 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC001608554461 1019205133 /nfs/dbraw/zinc/20/51/33/1019205133.db2.gz QGKWYMBQBJGIQD-ZJUUUORDSA-N -1 0 305.352 -0.752 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)NCC[C@@]2(O)CCOC2)CC1 ZINC001608554273 1019205186 /nfs/dbraw/zinc/20/51/86/1019205186.db2.gz HHOJPQSGXMLQOM-BXUZGUMPSA-N -1 0 316.354 -0.605 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(Cc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC001608557869 1019205416 /nfs/dbraw/zinc/20/54/16/1019205416.db2.gz PTAHMTLRMXMAOZ-FZMZJTMJSA-N -1 0 324.381 -0.028 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC001608555637 1019205659 /nfs/dbraw/zinc/20/56/59/1019205659.db2.gz XOLUVZKEYOJGAW-PWSUYJOCSA-N -1 0 323.353 -0.690 20 0 DBADRM O=C([O-])C1(O)CN(c2cc(N3CCCC[C@@H]3CO)ncn2)C1 ZINC001608579392 1019208087 /nfs/dbraw/zinc/20/80/87/1019208087.db2.gz JAJHZBRKWALSRH-SNVBAGLBSA-N -1 0 308.338 -0.537 20 0 DBADRM O=C([O-])C1(O)CCN(Cc2nc3c(c(=O)[nH]2)COCC3)CC1 ZINC001608578790 1019208423 /nfs/dbraw/zinc/20/84/23/1019208423.db2.gz LIBFPWMEDYGWIS-UHFFFAOYSA-N -1 0 309.322 -0.334 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCNc2ncccn2)CC1 ZINC001608574078 1019210016 /nfs/dbraw/zinc/21/00/16/1019210016.db2.gz SOUQBNXYIFAMLQ-UHFFFAOYSA-N -1 0 300.340 -0.327 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CC3(C2)CS(=O)(=O)C3)CCC1 ZINC001608579245 1019210136 /nfs/dbraw/zinc/21/01/36/1019210136.db2.gz GMKFVZCUJQYGQN-UHFFFAOYSA-N -1 0 309.365 -0.946 20 0 DBADRM O=C([O-])[C@@]1(CNS(=O)(=O)CC2CCOCC2)CCOC1 ZINC001608571223 1019210170 /nfs/dbraw/zinc/21/01/70/1019210170.db2.gz QPSJECYURYGTOI-GFCCVEGCSA-N -1 0 307.368 -0.176 20 0 DBADRM O=C([O-])[C@]1(N2CCN(Cc3cc(=O)c(O)co3)CC2)CCOC1 ZINC001608575161 1019210183 /nfs/dbraw/zinc/21/01/83/1019210183.db2.gz FLFXBPHUKIBLJG-HNNXBMFYSA-N -1 0 324.333 -0.293 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N[C@@H]2COCC[C@H]2O)CCCC1 ZINC001608574464 1019210234 /nfs/dbraw/zinc/21/02/34/1019210234.db2.gz BDFWXNNQONTZKB-NXEZZACHSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)C(=O)NCC3CC=CC3)C2)C1 ZINC001608590145 1019212161 /nfs/dbraw/zinc/21/21/61/1019212161.db2.gz CHCFVHWMESOUDN-HNNXBMFYSA-N -1 0 321.333 -0.099 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)CSc1cccc[n+]1[O-] ZINC001608594541 1019212984 /nfs/dbraw/zinc/21/29/84/1019212984.db2.gz FCVCHFLNLOJMGQ-BXKDBHETSA-N -1 0 312.347 -0.151 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCC(Cn3cncn3)CC2)C1 ZINC001608597774 1019214628 /nfs/dbraw/zinc/21/46/28/1019214628.db2.gz MUYDOCBAUQQKTA-GFCCVEGCSA-N -1 0 307.354 -0.119 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(S(=O)(=O)CC2CCOCC2)C1 ZINC001608602142 1019215181 /nfs/dbraw/zinc/21/51/81/1019215181.db2.gz QAYYIISUODSMFO-WDEREUQCSA-N -1 0 307.368 -0.490 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2ccccc2-n2cnnn2)C1 ZINC001608601112 1019216003 /nfs/dbraw/zinc/21/60/03/1019216003.db2.gz HQAVWFRTEBUKSJ-VHSXEESVSA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001608599371 1019216190 /nfs/dbraw/zinc/21/61/90/1019216190.db2.gz AXLACOLPZQUXCM-GMTAPVOTSA-N -1 0 308.338 -0.475 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2cnc3nccnc3c2)C1 ZINC001608601699 1019216239 /nfs/dbraw/zinc/21/62/39/1019216239.db2.gz MCQKWTOZDSHPRQ-NXEZZACHSA-N -1 0 302.290 -0.068 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CCC(Cn3cncn3)CC2)C1 ZINC001608597776 1019217017 /nfs/dbraw/zinc/21/70/17/1019217017.db2.gz MUYDOCBAUQQKTA-LBPRGKRZSA-N -1 0 307.354 -0.119 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@]23CCC(=O)N2CCS3)C1 ZINC001608602647 1019217762 /nfs/dbraw/zinc/21/77/62/1019217762.db2.gz RSZCGPRXMBVJMJ-VYUIOLGVSA-N -1 0 314.363 -0.654 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)Nc2nc3n(n2)CCCC3)C1 ZINC001608603543 1019218253 /nfs/dbraw/zinc/21/82/53/1019218253.db2.gz FPMXPYUZRQWOCX-DTWKUNHWSA-N -1 0 309.326 -0.086 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)Cn2cccn2)CC1 ZINC001608609612 1019219250 /nfs/dbraw/zinc/21/92/50/1019219250.db2.gz BGXQXRYKVNQBRM-NWDGAFQWSA-N -1 0 320.349 -0.335 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)Cc2ccc[nH]2)C1 ZINC001608609671 1019219511 /nfs/dbraw/zinc/21/95/11/1019219511.db2.gz COZHMNLWVKBXDJ-NEPJUHHUSA-N -1 0 305.334 -0.148 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)c1cc[nH]c1 ZINC001608609596 1019219572 /nfs/dbraw/zinc/21/95/72/1019219572.db2.gz CPBNMBFGLBHVBW-WDEREUQCSA-N -1 0 309.322 -0.714 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCCC(F)(F)C2)C1 ZINC001608603149 1019219784 /nfs/dbraw/zinc/21/97/84/1019219784.db2.gz VXRJRLKZBKJVOT-DTWKUNHWSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1cnc(N2CCOCC2)s1 ZINC001608608377 1019219903 /nfs/dbraw/zinc/21/99/03/1019219903.db2.gz YZXGPYJOGNFODS-KOLCDFICSA-N -1 0 313.379 -0.001 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(c2cc(N3CCOCC3)ncn2)C1 ZINC001608608136 1019220109 /nfs/dbraw/zinc/22/01/09/1019220109.db2.gz TZOSSKHSXAFRNS-WDEREUQCSA-N -1 0 308.338 -0.415 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ncccn2)CC1 ZINC001608610108 1019221026 /nfs/dbraw/zinc/22/10/26/1019221026.db2.gz GZTACGMHMOIYAV-UWVGGRQHSA-N -1 0 304.306 -0.518 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccncc3)C[C@H]21 ZINC001608610962 1019221053 /nfs/dbraw/zinc/22/10/53/1019221053.db2.gz OOZCADAEUATZSX-JZRPKSSGSA-N -1 0 315.329 -0.011 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2C1 ZINC001608610507 1019221319 /nfs/dbraw/zinc/22/13/19/1019221319.db2.gz JCEMIZISZGRSNQ-JXUBOQSCSA-N -1 0 320.305 -0.679 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)C2=COCCO2)CC1 ZINC001608610678 1019222369 /nfs/dbraw/zinc/22/23/69/1019222369.db2.gz KQCXNCOKYHGLCY-WDEREUQCSA-N -1 0 324.333 -0.344 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnns3)C[C@H]21 ZINC001608609971 1019222752 /nfs/dbraw/zinc/22/27/52/1019222752.db2.gz GNPSRIKGXHZXMR-BGJNVIQHSA-N -1 0 322.346 -0.555 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccncc3)C[C@H]21 ZINC001608610967 1019223187 /nfs/dbraw/zinc/22/31/87/1019223187.db2.gz OOZCADAEUATZSX-OBPIAQAESA-N -1 0 315.329 -0.011 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)Cc2cnoc2)CC1 ZINC001608611256 1019224129 /nfs/dbraw/zinc/22/41/29/1019224129.db2.gz OEYDWKUNBIUDJA-NWDGAFQWSA-N -1 0 321.333 -0.001 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)Cn2cccn2)CC1 ZINC001608611439 1019224515 /nfs/dbraw/zinc/22/45/15/1019224515.db2.gz POYXYLVNCGGBEE-VXGBXAGGSA-N -1 0 320.349 -0.289 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)c2cnsn2)CC1 ZINC001608611203 1019225045 /nfs/dbraw/zinc/22/50/45/1019225045.db2.gz NVLMNLPLDOQNNN-RKDXNWHRSA-N -1 0 324.362 -0.067 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)C=C2CCC2)C1 ZINC001608611007 1019225137 /nfs/dbraw/zinc/22/51/37/1019225137.db2.gz MPEWEWWGIMKVJQ-WDEREUQCSA-N -1 0 308.334 -0.493 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)CCc2nnc[nH]2)C1 ZINC001608611411 1019225423 /nfs/dbraw/zinc/22/54/23/1019225423.db2.gz PNVCTFORVOIVBY-NXEZZACHSA-N -1 0 321.337 -0.967 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cnns3)C[C@H]21 ZINC001608611470 1019225820 /nfs/dbraw/zinc/22/58/20/1019225820.db2.gz RQQILIDWCHNOFY-LADJIXMOSA-N -1 0 308.363 -0.195 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)c2cn[nH]c2)CC1 ZINC001608611690 1019225855 /nfs/dbraw/zinc/22/58/55/1019225855.db2.gz QSCJIPFBNXVZGF-WDEREUQCSA-N -1 0 306.322 -0.195 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)Cn2cccn2)CC1 ZINC001608611436 1019226585 /nfs/dbraw/zinc/22/65/85/1019226585.db2.gz POYXYLVNCGGBEE-NWDGAFQWSA-N -1 0 320.349 -0.289 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)C2=CCOCC2)C1 ZINC001608611996 1019226722 /nfs/dbraw/zinc/22/67/22/1019226722.db2.gz SFFLUUBBHOMLQL-VXGBXAGGSA-N -1 0 308.334 -0.372 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]2C(=O)N(Cc3nnnn3C3CC3)C(=O)N2C1 ZINC001608619945 1019227628 /nfs/dbraw/zinc/22/76/28/1019227628.db2.gz BZWJWZQUVHEWOE-VXNVDRBHSA-N -1 0 320.309 -0.365 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)CC2CCC2)C1 ZINC001608612261 1019228066 /nfs/dbraw/zinc/22/80/66/1019228066.db2.gz UHOOCVZPTGACNZ-MNOVXSKESA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]2C(=O)N(CCNC(=O)C3CC3)C(=O)N2C1 ZINC001608621013 1019228180 /nfs/dbraw/zinc/22/81/80/1019228180.db2.gz XKXLCQFWBVTXRE-ZJUUUORDSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)Cc2cncs2)C1 ZINC001608612085 1019228232 /nfs/dbraw/zinc/22/82/32/1019228232.db2.gz SOTJBGLVCKLUQT-VHSXEESVSA-N -1 0 309.347 -0.267 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)CCn2cccn2)C1 ZINC001608612246 1019228911 /nfs/dbraw/zinc/22/89/11/1019228911.db2.gz UGABAWGZLPNMDM-NWDGAFQWSA-N -1 0 320.349 -0.432 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)CN2CCNCC2=O)[C@@H]2CCC[C@H]21 ZINC001608631333 1019231108 /nfs/dbraw/zinc/23/11/08/1019231108.db2.gz GLYGZLSLSMPWCZ-QJPTWQEYSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])[C@@H]1CCCCCN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC001608628117 1019231158 /nfs/dbraw/zinc/23/11/58/1019231158.db2.gz ZCQVBVBJVPXKGL-NSHDSACASA-N -1 0 311.338 -0.187 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)CC1 ZINC001608630587 1019231225 /nfs/dbraw/zinc/23/12/25/1019231225.db2.gz SSNRHPUXOHCLBQ-SWHJWPDWSA-N -1 0 314.363 -0.959 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC001608626202 1019231728 /nfs/dbraw/zinc/23/17/28/1019231728.db2.gz HIJPDXGGIFRELN-ZNSHCXBVSA-N -1 0 307.368 -0.755 20 0 DBADRM O=C([O-])[C@H]1CCCCCN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC001608628116 1019232081 /nfs/dbraw/zinc/23/20/81/1019232081.db2.gz ZCQVBVBJVPXKGL-LLVKDONJSA-N -1 0 311.338 -0.187 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@H]1CCCNC1=O ZINC001608626450 1019232577 /nfs/dbraw/zinc/23/25/77/1019232577.db2.gz AFKJWPGHGHXVDN-KXUCPTDWSA-N -1 0 304.368 -0.172 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2COc3ccc(O)cc3O2)CCO1 ZINC001608642801 1019233675 /nfs/dbraw/zinc/23/36/75/1019233675.db2.gz XBXAZDPNMNHWKF-NEPJUHHUSA-N -1 0 309.274 -0.156 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N([C@@H]3CC(=O)N(C4CC4)C3)C(=O)[C@@H]2C1 ZINC001608640747 1019234071 /nfs/dbraw/zinc/23/40/71/1019234071.db2.gz ZDJCCEMLERSFFW-IEBDPFPHSA-N -1 0 321.333 -0.123 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCOCC2)c2ccccc2O1 ZINC001608640848 1019234130 /nfs/dbraw/zinc/23/41/30/1019234130.db2.gz AWUGRXWUBAHFOH-LBPRGKRZSA-N -1 0 320.301 -0.276 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2CCC2CCOCC2)CCO1 ZINC001608646270 1019234424 /nfs/dbraw/zinc/23/44/24/1019234424.db2.gz JRJBZYNNVADCLZ-NSHDSACASA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)CCOC2CCOCC2)CCO1 ZINC001608645041 1019234516 /nfs/dbraw/zinc/23/45/16/1019234516.db2.gz FUXVVPWMEMUZQA-NSHDSACASA-N -1 0 323.367 -0.703 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccnc2[nH]cnc21 ZINC001608648242 1019235167 /nfs/dbraw/zinc/23/51/67/1019235167.db2.gz UCLCOCSPZAXHDC-MRVPVSSYSA-N -1 0 324.318 -0.718 20 0 DBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1cnc2n1CCCC2 ZINC001608647599 1019235412 /nfs/dbraw/zinc/23/54/12/1019235412.db2.gz IMPRTXPTJQQJDJ-VIFPVBQESA-N -1 0 315.351 -0.307 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)C(=O)N2CCC[C@H](O)C2)C1 ZINC001608647885 1019235641 /nfs/dbraw/zinc/23/56/41/1019235641.db2.gz FEOCUOPDSJAJKK-ZJUUUORDSA-N -1 0 316.379 -0.754 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)COC(F)(F)F ZINC001608647530 1019236332 /nfs/dbraw/zinc/23/63/32/1019236332.db2.gz BIJUNAGQTCTEAF-RXMQYKEDSA-N -1 0 305.230 -0.767 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC001608674272 1019236682 /nfs/dbraw/zinc/23/66/82/1019236682.db2.gz QONYTPVKUAWVLU-JTQLQIEISA-N -1 0 320.301 -0.294 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)c1ccccc1Cn1ccnn1 ZINC001608675006 1019236932 /nfs/dbraw/zinc/23/69/32/1019236932.db2.gz DYYYAIWHPVMAOF-LLVKDONJSA-N -1 0 304.306 -0.108 20 0 DBADRM O=C([O-])C[C@H](NC(=O)CN1C(=O)CCC1=O)c1ccncc1 ZINC001608670787 1019237473 /nfs/dbraw/zinc/23/74/73/1019237473.db2.gz TZANWYUKEMUQPW-JTQLQIEISA-N -1 0 305.290 -0.137 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)CSCC(=O)N1CCCCC1 ZINC001608675499 1019237536 /nfs/dbraw/zinc/23/75/36/1019237536.db2.gz HBZDFQYRHSFCKU-SNVBAGLBSA-N -1 0 318.395 -0.316 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)C1CC1 ZINC001608666446 1019237678 /nfs/dbraw/zinc/23/76/78/1019237678.db2.gz JAQVERNYQODJHC-ZJUUUORDSA-N -1 0 324.337 -0.567 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC001608675478 1019238156 /nfs/dbraw/zinc/23/81/56/1019238156.db2.gz LCLWOBJQIVXOAU-NSHDSACASA-N -1 0 320.301 -0.095 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21)C1CC1 ZINC001608664863 1019238252 /nfs/dbraw/zinc/23/82/52/1019238252.db2.gz MSKOBQNQEAKYPL-CIQGVGRVSA-N -1 0 324.377 -0.025 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1)C1CC1 ZINC001608664766 1019238337 /nfs/dbraw/zinc/23/83/37/1019238337.db2.gz JGCOEOBPXXIZOT-ZIBATOQPSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Nc1cccnc1N1CCOCC1 ZINC001608675520 1019238391 /nfs/dbraw/zinc/23/83/91/1019238391.db2.gz LUTAHBXSOJAXHE-SNVBAGLBSA-N -1 0 324.337 -0.125 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)Cc1noc2c1CCCC2 ZINC001608676357 1019239198 /nfs/dbraw/zinc/23/91/98/1019239198.db2.gz ZNYJUYCCRMZWKD-QMMMGPOBSA-N -1 0 318.351 -0.192 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1cccc2c1OCCO2 ZINC001608676105 1019239376 /nfs/dbraw/zinc/23/93/76/1019239376.db2.gz OSZYVCAGDOXIJZ-MRVPVSSYSA-N -1 0 324.289 -0.652 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C1CN(C(=O)C2CCCCC2)C1 ZINC001608676311 1019239773 /nfs/dbraw/zinc/23/97/73/1019239773.db2.gz QZBFHIVFGOACBE-GFCCVEGCSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccc2nonc2c1 ZINC001608689672 1019241932 /nfs/dbraw/zinc/24/19/32/1019241932.db2.gz IWAHVHCGTRFDOR-SNVBAGLBSA-N -1 0 304.262 -0.362 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccccc1 ZINC001608689476 1019241950 /nfs/dbraw/zinc/24/19/50/1019241950.db2.gz WZZINPYORPRHHN-JTQLQIEISA-N -1 0 305.290 -0.573 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2CC(F)(F)C[C@H]2CO)C1 ZINC001608690684 1019242099 /nfs/dbraw/zinc/24/20/99/1019242099.db2.gz WMEDIJXNDWRROS-HACHORDNSA-N -1 0 320.292 -0.416 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)C1 ZINC001608690683 1019242141 /nfs/dbraw/zinc/24/21/41/1019242141.db2.gz WMEDIJXNDWRROS-AMDVSUOASA-N -1 0 320.292 -0.416 20 0 DBADRM O=C([O-])C[C@]1(NS(=O)(=O)c2c[nH]nc2Cl)CCOC1 ZINC001608688987 1019242293 /nfs/dbraw/zinc/24/22/93/1019242293.db2.gz DABOVKIGCKDIGK-SECBINFHSA-N -1 0 309.731 -0.025 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(CO)cc1 ZINC001608690076 1019242398 /nfs/dbraw/zinc/24/23/98/1019242398.db2.gz XRRFYZWNGLDIOM-GFCCVEGCSA-N -1 0 322.317 -0.641 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cc2n(n1)CCCC2 ZINC001608690115 1019242737 /nfs/dbraw/zinc/24/27/37/1019242737.db2.gz ZDDUQJXEIBIYIR-NSHDSACASA-N -1 0 306.322 -0.365 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cnn(CC2CC2)c1 ZINC001608689803 1019242999 /nfs/dbraw/zinc/24/29/99/1019242999.db2.gz NMZVAOWTGFWTRW-LLVKDONJSA-N -1 0 306.322 -0.292 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccccc1 ZINC001608689477 1019243356 /nfs/dbraw/zinc/24/33/56/1019243356.db2.gz WZZINPYORPRHHN-SNVBAGLBSA-N -1 0 305.290 -0.573 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cc2n(n1)CCCC2 ZINC001608690114 1019243893 /nfs/dbraw/zinc/24/38/93/1019243893.db2.gz ZDDUQJXEIBIYIR-LLVKDONJSA-N -1 0 306.322 -0.365 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCc2nccs2)CCO1 ZINC001608698395 1019244753 /nfs/dbraw/zinc/24/47/53/1019244753.db2.gz CRCWAVVZOMRMEQ-MRVPVSSYSA-N -1 0 313.335 -0.539 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001608701179 1019244900 /nfs/dbraw/zinc/24/49/00/1019244900.db2.gz PPAYMQWKFJGBFW-SECBINFHSA-N -1 0 321.289 -0.272 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001608700993 1019245054 /nfs/dbraw/zinc/24/50/54/1019245054.db2.gz FYDFXVUERXYNFJ-CHWSQXEVSA-N -1 0 312.366 -0.201 20 0 DBADRM O=C([O-])C[C@@H]1CCCCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001608694253 1019246759 /nfs/dbraw/zinc/24/67/59/1019246759.db2.gz YXBWYLTTXLXJGY-NSHDSACASA-N -1 0 318.395 -0.427 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCc2c[nH]nc2C1 ZINC001574731881 1019247194 /nfs/dbraw/zinc/24/71/94/1019247194.db2.gz WWBNIVBVUJKQQY-UHFFFAOYSA-N -1 0 312.326 -0.405 20 0 DBADRM O=C([O-])CCCC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC001608708829 1019247259 /nfs/dbraw/zinc/24/72/59/1019247259.db2.gz XZZGYMMZNDNEAM-VHSXEESVSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001608711862 1019248800 /nfs/dbraw/zinc/24/88/00/1019248800.db2.gz IECIQXDIMQFCDP-NWDGAFQWSA-N -1 0 323.411 -0.116 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)NCCN1C(=O)CCC1=O ZINC001608712470 1019248907 /nfs/dbraw/zinc/24/89/07/1019248907.db2.gz CVDBHCGFFKWYGZ-UHFFFAOYSA-N -1 0 320.367 -0.300 20 0 DBADRM O=C([O-])CCC(=O)COC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001608704419 1019248934 /nfs/dbraw/zinc/24/89/34/1019248934.db2.gz HLJRCRPQLKSYJP-UHFFFAOYSA-N -1 0 311.294 -0.642 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)Cc1cnc[nH]1 ZINC001608702872 1019248953 /nfs/dbraw/zinc/24/89/53/1019248953.db2.gz CDFODJWYZWJVBW-VIFPVBQESA-N -1 0 301.324 -0.948 20 0 DBADRM O=C([O-])CCCCC(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001608710108 1019248992 /nfs/dbraw/zinc/24/89/92/1019248992.db2.gz BHLXXSJSLUSFSX-ZJUUUORDSA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C(=O)N2CC=C[C@H]2CO)C1 ZINC001608707123 1019249153 /nfs/dbraw/zinc/24/91/53/1019249153.db2.gz LBHVWMAPRYOFJC-RYUDHWBXSA-N -1 0 310.350 -0.151 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC(C2CS(=O)(=O)C2)C1 ZINC001608717816 1019249676 /nfs/dbraw/zinc/24/96/76/1019249676.db2.gz AHDOWWVFFLNGDE-UHFFFAOYSA-N -1 0 311.381 -0.843 20 0 DBADRM O=C([O-])CCCc1nnc(NC(=O)N[C@@H]2COC[C@@H]2O)s1 ZINC001608720081 1019250762 /nfs/dbraw/zinc/25/07/62/1019250762.db2.gz JUBQHEYRVAYWLT-RQJHMYQMSA-N -1 0 316.339 -0.173 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CC[C@@H](NC(=O)NC3CC3)C2)C1=O ZINC001608723576 1019252112 /nfs/dbraw/zinc/25/21/12/1019252112.db2.gz UDYKSJUXAHTHLM-VXGBXAGGSA-N -1 0 324.381 -0.402 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](N2CCN3C(=O)NC[C@@H]3C2)C1=O ZINC001608726035 1019252380 /nfs/dbraw/zinc/25/23/80/1019252380.db2.gz YZVCNMDFCYENFI-GHMZBOCLSA-N -1 0 310.354 -0.839 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@@H]1CCCn2ncnc21 ZINC001608727202 1019254104 /nfs/dbraw/zinc/25/41/04/1019254104.db2.gz IMSZEDMZWMLTTA-SECBINFHSA-N -1 0 309.326 -0.747 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)Nc3cc(C(=O)[O-])n[nH]3)CC2=O)cn1 ZINC001574778442 1019254514 /nfs/dbraw/zinc/25/45/14/1019254514.db2.gz OOLRWJTWLPEGBU-ZETCQYMHSA-N -1 0 318.293 -0.167 20 0 DBADRM O=C([O-])CC[C@H]1NC(=O)N(Cc2nnc3n2CCCC3)C1=O ZINC001608737824 1019255943 /nfs/dbraw/zinc/25/59/43/1019255943.db2.gz XCKSRBBZMKZQBV-MRVPVSSYSA-N -1 0 307.310 -0.100 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cnc2n[nH]cc2c1 ZINC001608728889 1019256430 /nfs/dbraw/zinc/25/64/30/1019256430.db2.gz ZEZQMMZWIFOHLP-UHFFFAOYSA-N -1 0 305.294 -0.331 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC2(C1)CCCOC2 ZINC001608727713 1019256824 /nfs/dbraw/zinc/25/68/24/1019256824.db2.gz ZZNNTFPMRIEMEO-UHFFFAOYSA-N -1 0 313.354 -0.211 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC001608727788 1019257038 /nfs/dbraw/zinc/25/70/38/1019257038.db2.gz DAUDSGOBCQCSPE-SECBINFHSA-N -1 0 323.353 -0.453 20 0 DBADRM Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001574783011 1019257555 /nfs/dbraw/zinc/25/75/55/1019257555.db2.gz UOWRPMKXJYDFGZ-QMMMGPOBSA-N -1 0 313.310 -0.449 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cnn2ccncc12 ZINC001608728517 1019257862 /nfs/dbraw/zinc/25/78/62/1019257862.db2.gz JCZMFGUONHKEKT-UHFFFAOYSA-N -1 0 305.294 -0.560 20 0 DBADRM O=C([O-])CCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N2)cc1 ZINC001608729985 1019258346 /nfs/dbraw/zinc/25/83/46/1019258346.db2.gz AEJMBOXCEIFHPI-SNVBAGLBSA-N -1 0 305.290 -0.282 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCCNC(=O)NC1CCCCC1 ZINC001574806089 1019258309 /nfs/dbraw/zinc/25/83/09/1019258309.db2.gz OMEMCWWVRQZBRI-NSHDSACASA-N -1 0 315.370 -0.040 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)Cn1ccccc1=O ZINC001608750323 1019259147 /nfs/dbraw/zinc/25/91/47/1019259147.db2.gz JBVUYNCRIMOFMY-JTQLQIEISA-N -1 0 307.306 -0.960 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCc2nccn2C1 ZINC001608750047 1019259704 /nfs/dbraw/zinc/25/97/04/1019259704.db2.gz CZPRYHDXCVIDAZ-QWRGUYRKSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])CN(CCc1ccccc1)C(=O)CN1CCNC(=O)C1 ZINC001608746185 1019259849 /nfs/dbraw/zinc/25/98/49/1019259849.db2.gz VMNVQZKXAVWOID-UHFFFAOYSA-N -1 0 319.361 -0.426 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCNC(=O)CC1CC1 ZINC001574807626 1019260969 /nfs/dbraw/zinc/26/09/69/1019260969.db2.gz MSCRAGVZEZJESD-UHFFFAOYSA-N -1 0 311.342 -0.498 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001608750084 1019261613 /nfs/dbraw/zinc/26/16/13/1019261613.db2.gz DZMFOKXLNVCGLM-SCZZXKLOSA-N -1 0 321.337 -0.584 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccccc1Cn1cncn1 ZINC001608752576 1019263588 /nfs/dbraw/zinc/26/35/88/1019263588.db2.gz CJXIIODNCJHXQH-UHFFFAOYSA-N -1 0 317.305 -0.743 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1CC[C@H]1CCS(=O)(=O)C1 ZINC001608750969 1019263762 /nfs/dbraw/zinc/26/37/62/1019263762.db2.gz KXGDWGILLCGOPF-QWRGUYRKSA-N -1 0 318.395 -0.524 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1CC[C@H]1CCS(=O)(=O)C1 ZINC001608750970 1019263919 /nfs/dbraw/zinc/26/39/19/1019263919.db2.gz KXGDWGILLCGOPF-WDEREUQCSA-N -1 0 318.395 -0.524 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1cc(F)ccc1N1CCOCC1 ZINC001574812191 1019264237 /nfs/dbraw/zinc/26/42/37/1019264237.db2.gz DSHCEHYZWANHIQ-LBPRGKRZSA-N -1 0 312.297 -0.162 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1cn(CCc2ccccc2)nn1 ZINC001574812965 1019264536 /nfs/dbraw/zinc/26/45/36/1019264536.db2.gz GSJFFEQFDOCSHM-GFCCVEGCSA-N -1 0 304.306 -0.304 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1cnc(Cl)cn1 ZINC001608750435 1019264905 /nfs/dbraw/zinc/26/49/05/1019264905.db2.gz FQUKFQJDXDNTIU-MRVPVSSYSA-N -1 0 312.713 -0.065 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1cnc2n1CCC2 ZINC001608750577 1019265062 /nfs/dbraw/zinc/26/50/62/1019265062.db2.gz GSZQQVNVGNILST-SECBINFHSA-N -1 0 306.322 -0.365 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccnc1OCC(F)F ZINC001608752577 1019265157 /nfs/dbraw/zinc/26/51/57/1019265157.db2.gz COKCLLCAHRGVSG-UHFFFAOYSA-N -1 0 317.248 -0.344 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cnc(C2OCCO2)s1 ZINC001608752628 1019265580 /nfs/dbraw/zinc/26/55/80/1019265580.db2.gz GZHWIUJFCREUAN-UHFFFAOYSA-N -1 0 315.307 -0.881 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1cc2ccccc2nn1 ZINC001608753077 1019266388 /nfs/dbraw/zinc/26/63/88/1019266388.db2.gz HWLQXPLBUQAJKW-UHFFFAOYSA-N -1 0 303.278 -0.048 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)CSC[C@@H]1CCCCO1 ZINC001608753114 1019266579 /nfs/dbraw/zinc/26/65/79/1019266579.db2.gz KHANWCRSSFRIAR-VIFPVBQESA-N -1 0 304.368 -0.394 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001608757274 1019267370 /nfs/dbraw/zinc/26/73/70/1019267370.db2.gz MDYJYLBIJRWNST-ZJUUUORDSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC([C@H]2COC(=O)N2)CC1 ZINC001608757400 1019268016 /nfs/dbraw/zinc/26/80/16/1019268016.db2.gz YEEOBECLSDRSSD-SNVBAGLBSA-N -1 0 315.326 -0.382 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc(-n2cccn2)ccn1 ZINC001608753275 1019268033 /nfs/dbraw/zinc/26/80/33/1019268033.db2.gz VPLBFQIQDMRMND-UHFFFAOYSA-N -1 0 303.278 -0.802 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1cnc2c(c1)COCC2 ZINC001608752901 1019268659 /nfs/dbraw/zinc/26/86/59/1019268659.db2.gz BYKTXNWOCOHILJ-UHFFFAOYSA-N -1 0 308.294 -0.523 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)[C@@H]2CCCNC2=O)cc1 ZINC001608755133 1019268815 /nfs/dbraw/zinc/26/88/15/1019268815.db2.gz YRQYGWBNMKJHLS-LLVKDONJSA-N -1 0 319.317 -0.034 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NCc1cn[nH]n1 ZINC001608790624 1019269651 /nfs/dbraw/zinc/26/96/51/1019269651.db2.gz RHGWIOKGGSQAOL-UHFFFAOYSA-N -1 0 303.278 -0.313 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC001608758093 1019269682 /nfs/dbraw/zinc/26/96/82/1019269682.db2.gz KUNISWIFLACYQL-DGCLKSJQSA-N -1 0 309.318 -0.035 20 0 DBADRM CC(C)[C@H](F)C(=O)NC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574839239 1019270250 /nfs/dbraw/zinc/27/02/50/1019270250.db2.gz CJCRFIDTYNBTKW-SCZZXKLOSA-N -1 0 322.348 -0.011 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001608788805 1019270342 /nfs/dbraw/zinc/27/03/42/1019270342.db2.gz GTJIQJARAFCIHB-NSHDSACASA-N -1 0 304.302 -0.017 20 0 DBADRM O=C([O-])CSCCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001608767505 1019270830 /nfs/dbraw/zinc/27/08/30/1019270830.db2.gz SMBJERLSALYWFE-QMMMGPOBSA-N -1 0 312.351 -0.303 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C(=O)N(CCO)CC(F)F)C1 ZINC001608771906 1019271524 /nfs/dbraw/zinc/27/15/24/1019271524.db2.gz RSEKQRGWOFZPQC-BDAKNGLRSA-N -1 0 322.308 -0.168 20 0 DBADRM O=C(NCCNC(=O)c1ncccc1O)c1cc[n+]([O-])cc1 ZINC001574842091 1019271721 /nfs/dbraw/zinc/27/17/21/1019271721.db2.gz MMXLYUCBADDNTM-UHFFFAOYSA-N -1 0 302.290 -0.420 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)cc1 ZINC001608783812 1019272341 /nfs/dbraw/zinc/27/23/41/1019272341.db2.gz WMPGQZREZWEPDP-VXGBXAGGSA-N -1 0 315.347 -0.258 20 0 DBADRM O=C([O-])COc1cccc(C(=O)NCc2nc(CO)n[nH]2)c1 ZINC001608763281 1019272683 /nfs/dbraw/zinc/27/26/83/1019272683.db2.gz QLXKEZUFPFKJSC-UHFFFAOYSA-N -1 0 306.278 -0.310 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)[C@H]2CCNC(=O)CC2)nn1 ZINC001608796583 1019274005 /nfs/dbraw/zinc/27/40/05/1019274005.db2.gz FBVGENMHWUZZHZ-SECBINFHSA-N -1 0 310.310 -0.635 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)c2coc3c2C(=O)NCCC3)n[nH]1 ZINC001608793808 1019274327 /nfs/dbraw/zinc/27/43/27/1019274327.db2.gz QDCSMRGNNMBJFJ-UHFFFAOYSA-N -1 0 319.277 -0.047 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc2[nH]c(=O)sc2c1 ZINC001608801795 1019278885 /nfs/dbraw/zinc/27/88/85/1019278885.db2.gz XTGZXMGQSPCEQZ-ZETCQYMHSA-N -1 0 318.332 -0.274 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N(CCCCO)C2CC2)cn1 ZINC001608798238 1019279117 /nfs/dbraw/zinc/27/91/17/1019279117.db2.gz QYXWESIUGWHFJA-UHFFFAOYSA-N -1 0 317.367 -0.107 20 0 DBADRM O=C([O-])Cn1ncc2ccc(NC(=O)NC[C@H](O)CO)cc21 ZINC001608800140 1019279301 /nfs/dbraw/zinc/27/93/01/1019279301.db2.gz BIOQPUWWHZRTST-JTQLQIEISA-N -1 0 308.294 -0.404 20 0 DBADRM C[C@H](CNC(=O)C1CC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574860790 1019281276 /nfs/dbraw/zinc/28/12/76/1019281276.db2.gz BVPLHGYOELYDFN-SSDOTTSWSA-N -1 0 303.326 -0.161 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N([C@@H]2CC(=O)N(C3CC3)C2)C1=O ZINC001608814397 1019281314 /nfs/dbraw/zinc/28/13/14/1019281314.db2.gz VNYSHBBXXKCMJG-TURQNECASA-N -1 0 307.306 -0.609 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCOCC(F)(F)F ZINC001608815691 1019282221 /nfs/dbraw/zinc/28/22/21/1019282221.db2.gz SKLZELGUZLGNQD-NKWVEPMBSA-N -1 0 321.273 -0.273 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H](C2OCCO2)C1 ZINC001608814176 1019283036 /nfs/dbraw/zinc/28/30/36/1019283036.db2.gz CIPHVQBWMIXRGP-OUAUKWLOSA-N -1 0 314.338 -0.120 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2C[C@H](CO)[C@@H](CCO)C2)C1 ZINC001608809884 1019283410 /nfs/dbraw/zinc/28/34/10/1019283410.db2.gz QRYJYMJTENLVNB-WUHRBBMRSA-N -1 0 315.366 -0.294 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(c3nnnn3CCOC3CCOCC3)C[C@@H]21 ZINC001608817334 1019285209 /nfs/dbraw/zinc/28/52/09/1019285209.db2.gz MUEWLWILBKGARO-GDNZZTSVSA-N -1 0 323.353 -0.365 20 0 DBADRM O=C([O-])c1c(NC(=O)[C@]2(F)CCOC2)[nH]nc1OCCO ZINC001608830538 1019286362 /nfs/dbraw/zinc/28/63/62/1019286362.db2.gz RTHALVFXEBQQKB-NSHDSACASA-N -1 0 303.246 -0.454 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)C1(N2CCOCC2)CCC1 ZINC001608818086 1019286378 /nfs/dbraw/zinc/28/63/78/1019286378.db2.gz BDYUSLPZTOAKDD-LBPRGKRZSA-N -1 0 322.365 -0.224 20 0 DBADRM O=C([O-])c1cc(C(=O)N(CCO)CCN2CCOCC2)ccn1 ZINC001608834410 1019286555 /nfs/dbraw/zinc/28/65/55/1019286555.db2.gz MWEGULVQKQHAAI-UHFFFAOYSA-N -1 0 323.349 -0.454 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)n[nH]1 ZINC001608859689 1019288659 /nfs/dbraw/zinc/28/86/59/1019288659.db2.gz DUWSDURMJQBWHX-TYDGZRNZSA-N -1 0 305.337 -0.998 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN3C[C@@H](F)C[C@H]3C2)on1 ZINC001608858952 1019290191 /nfs/dbraw/zinc/29/01/91/1019290191.db2.gz SBDYNSPEBHZCOP-YUMQZZPRSA-N -1 0 319.314 -0.211 20 0 DBADRM O=C([O-])c1cc(F)cc(C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC001608848217 1019290297 /nfs/dbraw/zinc/29/02/97/1019290297.db2.gz DPJRJVHFACJIEX-AOOOYVTPSA-N -1 0 306.249 -0.132 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)on1 ZINC001608835458 1019290529 /nfs/dbraw/zinc/29/05/29/1019290529.db2.gz JIUSGMSLMCLVGU-PSASIEDQSA-N -1 0 309.278 -0.508 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCCO1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574875139 1019290966 /nfs/dbraw/zinc/29/09/66/1019290966.db2.gz WPAAIZNATTXYJS-IUCAKERBSA-N -1 0 318.341 -0.826 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC(Cc3nn[nH]n3)CC2)on1 ZINC001608835134 1019291090 /nfs/dbraw/zinc/29/10/90/1019291090.db2.gz UVDIXRINXWIOPP-UHFFFAOYSA-N -1 0 306.282 -0.019 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H](O)COCC2CC2)n[nH]1 ZINC001608861052 1019291296 /nfs/dbraw/zinc/29/12/96/1019291296.db2.gz NGUDCRSSAVQFAZ-MRVPVSSYSA-N -1 0 319.339 -0.826 20 0 DBADRM O=C([O-])c1ccc(C(=O)CN2C(=O)NC3(CC(O)C3)C2=O)o1 ZINC001608871425 1019291663 /nfs/dbraw/zinc/29/16/63/1019291663.db2.gz UDSGXAYZMMHCQQ-UHFFFAOYSA-N -1 0 308.246 -0.394 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CCC[C@H](C3OCCO3)C2)n1 ZINC001608870770 1019291722 /nfs/dbraw/zinc/29/17/22/1019291722.db2.gz NVEMAIKPPSIKTR-JTQLQIEISA-N -1 0 309.322 -0.016 20 0 DBADRM O=C([O-])c1ccc(N2CCN(C(=O)Cn3cnnn3)CC2)s1 ZINC001608898104 1019292393 /nfs/dbraw/zinc/29/23/93/1019292393.db2.gz JHHWZDIFMZMJEX-UHFFFAOYSA-N -1 0 322.350 -0.218 20 0 DBADRM O=C([O-])c1ccc(CS(=O)(=O)NC[C@H]2COCCN2)cc1 ZINC001608890694 1019292686 /nfs/dbraw/zinc/29/26/86/1019292686.db2.gz ZNXAQVJCIMVKHZ-LBPRGKRZSA-N -1 0 314.363 -0.207 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CCC[C@H](n3ccnn3)C2)n1 ZINC001608870379 1019293920 /nfs/dbraw/zinc/29/39/20/1019293920.db2.gz AJDRSWQKHQSOEU-JTQLQIEISA-N -1 0 304.310 -0.172 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1F ZINC001608873055 1019294716 /nfs/dbraw/zinc/29/47/16/1019294716.db2.gz IFMODHQYJOOHTA-JTQLQIEISA-N -1 0 321.264 -0.100 20 0 DBADRM O=C([O-])c1cccc(C(=O)N[C@@H](CO)[C@@H](O)c2cccnc2)n1 ZINC001608928729 1019295602 /nfs/dbraw/zinc/29/56/02/1019295602.db2.gz IPDIFBMTQFOVGW-STQMWFEESA-N -1 0 317.301 -0.001 20 0 DBADRM O=C([O-])c1ccnc(N2CCN(CC(F)(F)CO)CC2)n1 ZINC001608952896 1019295896 /nfs/dbraw/zinc/29/58/96/1019295896.db2.gz USDYNMAQQRXLLL-UHFFFAOYSA-N -1 0 302.281 -0.076 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@H](O)[C@H]2CCCO2)o1 ZINC001608911986 1019296520 /nfs/dbraw/zinc/29/65/20/1019296520.db2.gz JPSLOJNQOJPLFK-JGVFFNPUSA-N -1 0 305.308 -0.204 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CC[C@@H](N3CCCC3=O)C2)n1 ZINC001608950160 1019297329 /nfs/dbraw/zinc/29/73/29/1019297329.db2.gz AHYJPLKGXPOPKA-SNVBAGLBSA-N -1 0 306.322 -0.195 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)nn1 ZINC001608959588 1019297924 /nfs/dbraw/zinc/29/79/24/1019297924.db2.gz DRKICYMIOFLTHJ-RKDXNWHRSA-N -1 0 307.310 -0.724 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)CCn3ccnn3)C2)nn1 ZINC001608960235 1019298613 /nfs/dbraw/zinc/29/86/13/1019298613.db2.gz ZQRIONWFIPXBKO-VIFPVBQESA-N -1 0 305.298 -0.569 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(S(=O)(=O)[C@@H]3CCOC3)C2)nn1 ZINC001608962450 1019298706 /nfs/dbraw/zinc/29/87/06/1019298706.db2.gz TWKQXZNYZGZRJX-DTWKUNHWSA-N -1 0 316.339 -0.658 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)CN3CCOC3=O)CC2)nn1 ZINC001608959713 1019299049 /nfs/dbraw/zinc/29/90/49/1019299049.db2.gz IJNFTZWGSHMALF-UHFFFAOYSA-N -1 0 323.309 -0.408 20 0 DBADRM O=C([O-])c1cn(C2CN(c3nccn(C(F)F)c3=O)C2)nn1 ZINC001608963008 1019300469 /nfs/dbraw/zinc/30/04/69/1019300469.db2.gz OYVIEQQGZRNLCG-UHFFFAOYSA-N -1 0 312.236 -0.011 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)c3ncccn3)C2)nc1 ZINC001608974411 1019301405 /nfs/dbraw/zinc/30/14/05/1019301405.db2.gz SJJHMWBUOKNFHY-JTQLQIEISA-N -1 0 314.305 -0.027 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2cnn3cccnc23)nn1 ZINC001608963686 1019301531 /nfs/dbraw/zinc/30/15/31/1019301531.db2.gz FFJDRRISSBMBGD-UHFFFAOYSA-N -1 0 301.266 -0.551 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)Cc3cnc[nH]3)CC2)nc1 ZINC001608974914 1019301924 /nfs/dbraw/zinc/30/19/24/1019301924.db2.gz FECIOXZWNHRXOP-UHFFFAOYSA-N -1 0 316.321 -0.211 20 0 DBADRM O=C([O-])c1cnc(Cn2cc(CN3CCOCC3)nn2)cn1 ZINC001608973986 1019303175 /nfs/dbraw/zinc/30/31/75/1019303175.db2.gz VRPGTWMCCOKMBO-UHFFFAOYSA-N -1 0 304.310 -0.353 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N[C@H]2CCCCNC2=O)c1 ZINC001608982344 1019304917 /nfs/dbraw/zinc/30/49/17/1019304917.db2.gz GTSIRYYOBWNPPF-JTQLQIEISA-N -1 0 313.335 -0.273 20 0 DBADRM O=C([O-])c1coc(C(=O)NC[C@@]23COC(=O)N2CCOC3)c1 ZINC001608986636 1019304940 /nfs/dbraw/zinc/30/49/40/1019304940.db2.gz NDZPHGHGUIAKKQ-CYBMUJFWSA-N -1 0 310.262 -0.071 20 0 DBADRM O=C([O-])c1cncc(C(=O)NCCCN2C(=O)CNC2=O)c1 ZINC001608979440 1019305251 /nfs/dbraw/zinc/30/52/51/1019305251.db2.gz AZNOWXGNQURAQF-UHFFFAOYSA-N -1 0 306.278 -0.549 20 0 DBADRM O=C([O-])c1cncc(N2CCS(=O)(=O)C[C@H]2CCO)n1 ZINC001608981611 1019305704 /nfs/dbraw/zinc/30/57/04/1019305704.db2.gz ZWCXPQUTFUFYRA-MRVPVSSYSA-N -1 0 301.324 -0.839 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)NCCO[C@H]2CCOC2)c1 ZINC001608983248 1019305850 /nfs/dbraw/zinc/30/58/50/1019305850.db2.gz WUNZITQQHRCJKP-JTQLQIEISA-N -1 0 316.335 -0.136 20 0 DBADRM O=C([O-])c1cnc(N[C@H]2CCN(C(=O)c3cnon3)C2)nc1 ZINC001608978570 1019306119 /nfs/dbraw/zinc/30/61/19/1019306119.db2.gz GHMVTGCMQHJDGR-QMMMGPOBSA-N -1 0 304.266 -0.116 20 0 DBADRM O=C([O-])c1cnc(NCCS(=O)(=O)N2CCOCC2)cn1 ZINC001608977883 1019306182 /nfs/dbraw/zinc/30/61/82/1019306182.db2.gz IXIVCPXHWBGDHA-UHFFFAOYSA-N -1 0 316.339 -0.751 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N[C@@H]2COCC[C@H]2O)c1 ZINC001608983026 1019306678 /nfs/dbraw/zinc/30/66/78/1019306678.db2.gz KFMYDMFMNDNAMN-NXEZZACHSA-N -1 0 302.308 -0.792 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)[C@@H]2CC=CCC2)n1 ZINC001608999252 1019307551 /nfs/dbraw/zinc/30/75/51/1019307551.db2.gz RRDXFOWNMCUICR-MNOVXSKESA-N -1 0 320.349 -0.158 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)c3csnn3)C2)n1 ZINC001608999643 1019307785 /nfs/dbraw/zinc/30/77/85/1019307785.db2.gz LDMZLORDEUMJMU-SSDOTTSWSA-N -1 0 320.334 -0.225 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)NCC(=O)N2CCOCC2)c1 ZINC001608990651 1019308150 /nfs/dbraw/zinc/30/81/50/1019308150.db2.gz JCNMPHILQAYGJF-UHFFFAOYSA-N -1 0 318.307 -0.885 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)c2ncccc2O)n1 ZINC001608999302 1019308545 /nfs/dbraw/zinc/30/85/45/1019308545.db2.gz UXCUIAJSASRSCJ-UHFFFAOYSA-N -1 0 317.305 -0.071 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)[C@@H]2CC23CCC3)n1 ZINC001608999088 1019309262 /nfs/dbraw/zinc/30/92/62/1019309262.db2.gz MEXIFXDGGCXLQZ-UWVGGRQHSA-N -1 0 320.349 -0.324 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CNC(=O)[C@@H]2CCOC2)C2CC2)n1 ZINC001608999005 1019309726 /nfs/dbraw/zinc/30/97/26/1019309726.db2.gz KEZRKBVMKOHMIB-GHMZBOCLSA-N -1 0 320.349 -0.060 20 0 DBADRM O=C([O-])c1ncoc1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001609002660 1019310658 /nfs/dbraw/zinc/31/06/58/1019310658.db2.gz CHWAFYHLVVSJEP-SSDOTTSWSA-N -1 0 319.277 -0.235 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N[C@H](CO)c1ncc[nH]1 ZINC001609005269 1019313258 /nfs/dbraw/zinc/31/32/58/1019313258.db2.gz LWTYULIUBDEPGX-RXMQYKEDSA-N -1 0 318.336 -0.424 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccc(Br)[nH]c2=O)C1 ZINC001609028014 1019314140 /nfs/dbraw/zinc/31/41/40/1019314140.db2.gz BWHMBCOUUAMLKY-UHFFFAOYSA-N -1 0 317.095 -0.179 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)nn1 ZINC001609038058 1019316810 /nfs/dbraw/zinc/31/68/10/1019316810.db2.gz ONIWAYICQPAWHY-UWVGGRQHSA-N -1 0 321.337 -0.192 20 0 DBADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001609043694 1019318384 /nfs/dbraw/zinc/31/83/84/1019318384.db2.gz FASWQFQLCFYVLT-JTQLQIEISA-N -1 0 303.274 -0.175 20 0 DBADRM O=C([O-])c1ccccc1OCCN1CC(=O)NCC12COC2 ZINC001609041223 1019318563 /nfs/dbraw/zinc/31/85/63/1019318563.db2.gz UNSXOQQEHKJRFL-UHFFFAOYSA-N -1 0 306.318 -0.036 20 0 DBADRM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001609041978 1019318600 /nfs/dbraw/zinc/31/86/00/1019318600.db2.gz ZWXQNUYJRUSWIU-LBPRGKRZSA-N -1 0 318.333 -0.293 20 0 DBADRM O=C([O-])c1ccc(NC(=O)NCCN2CCNC(=O)C2)cc1 ZINC001609041048 1019319372 /nfs/dbraw/zinc/31/93/72/1019319372.db2.gz MDSDNFZDQDLPRM-UHFFFAOYSA-N -1 0 306.322 -0.062 20 0 DBADRM O=C([O-])C1(C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC2(CCC2)C1 ZINC001609044060 1019319534 /nfs/dbraw/zinc/31/95/34/1019319534.db2.gz KOTIHPSZQDLWSZ-DTORHVGOSA-N -1 0 306.318 -0.248 20 0 DBADRM O=C([O-])[C@@H]1CN(CC(=O)N2CCNC(=O)C2)c2ccccc2O1 ZINC001609040236 1019319744 /nfs/dbraw/zinc/31/97/44/1019319744.db2.gz AMRZWIKCOKEPGD-LBPRGKRZSA-N -1 0 319.317 -0.703 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CCCCC1 ZINC001609043022 1019319892 /nfs/dbraw/zinc/31/98/92/1019319892.db2.gz NEAUWPOBJQITDZ-UWVGGRQHSA-N -1 0 311.338 -0.018 20 0 DBADRM O=C([O-])C1(C(=O)NCCN2C(=O)CNC2=O)CC2(CCC2)C1 ZINC001609041716 1019319907 /nfs/dbraw/zinc/31/99/07/1019319907.db2.gz SLVIYVSQMRFSJW-UHFFFAOYSA-N -1 0 309.322 -0.311 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)ccn1 ZINC001609041708 1019320263 /nfs/dbraw/zinc/32/02/63/1019320263.db2.gz RYSORJYOYKIMPD-GHMZBOCLSA-N -1 0 305.290 -0.491 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCN3C(=O)OCC[C@H]3C2)CCC1 ZINC001609047275 1019320888 /nfs/dbraw/zinc/32/08/88/1019320888.db2.gz TVTAPRFKGGZGHM-VIFPVBQESA-N -1 0 318.351 -0.150 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2Cc3cccnc3NC2=O)O1 ZINC001609046120 1019320903 /nfs/dbraw/zinc/32/09/03/1019320903.db2.gz BCAXTFJFDJNPOC-AEJSXWLSSA-N -1 0 305.290 -0.307 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC3(C2)CCNC(=O)O3)on1 ZINC001609045366 1019321014 /nfs/dbraw/zinc/32/10/14/1019321014.db2.gz UFYFMVIQHCSVQZ-UHFFFAOYSA-N -1 0 317.279 -0.754 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CC[C@H](N3CCOC3=O)C2)CCC1 ZINC001609047005 1019321411 /nfs/dbraw/zinc/32/14/11/1019321411.db2.gz IOVPSICEKAAKIX-VIFPVBQESA-N -1 0 318.351 -0.150 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)C[C@H]2Oc3ccccc3NC2=O)C1 ZINC001609046346 1019322050 /nfs/dbraw/zinc/32/20/50/1019322050.db2.gz KGEDOUPLURAPPG-ABAIWWIYSA-N -1 0 320.301 -0.176 20 0 DBADRM O=C([O-])C12CC(C(=O)NC[C@H]3CCC[C@]34NC(=O)NC4=O)(C1)C2 ZINC001609044734 1019322121 /nfs/dbraw/zinc/32/21/21/1019322121.db2.gz VRHBVBGPZQNBOE-CJWORRKDSA-N -1 0 321.333 -0.264 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCN3C(=O)OCC[C@H]3C2)C1 ZINC001609047119 1019322203 /nfs/dbraw/zinc/32/22/03/1019322203.db2.gz MBVHFOAIQWCYPS-LPEHRKFASA-N -1 0 318.351 -0.294 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@H]2Cc3cc(F)ccc3NC2=O)C1 ZINC001609046529 1019322398 /nfs/dbraw/zinc/32/23/98/1019322398.db2.gz QSJBGWWINYVCSP-VIFPVBQESA-N -1 0 308.265 -0.406 20 0 DBADRM O=C([O-])[C@@H](c1ccsc1)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001609045256 1019322737 /nfs/dbraw/zinc/32/27/37/1019322737.db2.gz PCCHRUQVYOSDMB-VHSXEESVSA-N -1 0 309.347 -0.484 20 0 DBADRM C[C@@H](C(=O)N1CC[C@](O)(C2CC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068073 1019326011 /nfs/dbraw/zinc/32/60/11/1019326011.db2.gz DTVVEKJQHCUYCZ-ISVAXAHUSA-N -1 0 318.341 -0.607 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@]2(CCOC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068823 1019330911 /nfs/dbraw/zinc/33/09/11/1019330911.db2.gz NRBFFBLRPOQVBB-TVQRCGJNSA-N -1 0 318.341 -0.342 20 0 DBADRM C[C@H](C(=O)N[C@@](C)(CO)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068503 1019330969 /nfs/dbraw/zinc/33/09/69/1019330969.db2.gz KGRJRUDOFFPSSW-KRTXAFLBSA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@H](C(=O)OCCCn1ccnc1)n1cnc(-c2nnn[n-]2)n1 ZINC001609072325 1019331638 /nfs/dbraw/zinc/33/16/38/1019331638.db2.gz LJEMXSGGKXRPNO-SECBINFHSA-N -1 0 317.313 -0.151 20 0 DBADRM C[C@H](C(=O)N1CCOCC12CC2)n1cnc(-c2nnn[n-]2)n1 ZINC001609069074 1019332529 /nfs/dbraw/zinc/33/25/29/1019332529.db2.gz QHNRVPLYAYVBEH-MRVPVSSYSA-N -1 0 304.314 -0.589 20 0 DBADRM C[C@@H](C(=O)NCC1(O)CCCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609069952 1019334708 /nfs/dbraw/zinc/33/47/08/1019334708.db2.gz HJCDJQPPWNUUBE-VIFPVBQESA-N -1 0 320.357 -0.169 20 0 DBADRM C[C@H](CCCO)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001609110702 1019336141 /nfs/dbraw/zinc/33/61/41/1019336141.db2.gz YFHPIQOFZVXAKL-MRVPVSSYSA-N -1 0 323.357 -0.915 20 0 DBADRM CC(C)CNC(=O)NC(=O)COc1cnc(-c2nnn[n-]2)nc1 ZINC001609096399 1019337920 /nfs/dbraw/zinc/33/79/20/1019337920.db2.gz ZMCSNOXUMQIDKX-UHFFFAOYSA-N -1 0 320.313 -0.483 20 0 DBADRM CC(C)NC(=O)CN(C)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609099826 1019340577 /nfs/dbraw/zinc/34/05/77/1019340577.db2.gz AOTDUAVLOOWSPB-MRVPVSSYSA-N -1 0 321.345 -0.998 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609116232 1019341982 /nfs/dbraw/zinc/34/19/82/1019341982.db2.gz DNDNCSBVBYQQAW-IUCAKERBSA-N -1 0 316.329 -0.579 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1cncc(-c2nn[nH]n2)c1)C(=O)[O-] ZINC001609113846 1019342476 /nfs/dbraw/zinc/34/24/76/1019342476.db2.gz JQNGYDIRFFXKEL-LURJTMIESA-N -1 0 312.311 -0.739 20 0 DBADRM C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001609114757 1019343090 /nfs/dbraw/zinc/34/30/90/1019343090.db2.gz VJDKQUPCENWNJB-JGVFFNPUSA-N -1 0 312.355 -0.443 20 0 DBADRM C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCOC1 ZINC001609120155 1019345387 /nfs/dbraw/zinc/34/53/87/1019345387.db2.gz XMYWDIHVAFWJGQ-RKDXNWHRSA-N -1 0 306.330 -0.611 20 0 DBADRM O=C(CC1CC1)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001505583400 1019355670 /nfs/dbraw/zinc/35/56/70/1019355670.db2.gz FYLMLRYVKSFAQI-MRVPVSSYSA-N -1 0 307.310 -0.586 20 0 DBADRM CC1(C)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C[C@@H]1O ZINC001609147039 1019358084 /nfs/dbraw/zinc/35/80/84/1019358084.db2.gz HMTOKKIJNKXPJV-QMMMGPOBSA-N -1 0 313.339 -0.149 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C[C@@H](CO)O1 ZINC001609171728 1019365370 /nfs/dbraw/zinc/36/53/70/1019365370.db2.gz KLENWPNXNJDZTE-WPRPVWTQSA-N -1 0 319.321 -0.206 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCOC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001609177607 1019370701 /nfs/dbraw/zinc/37/07/01/1019370701.db2.gz ZKNWRRCZJHIPSI-HLTSFMKQSA-N -1 0 306.330 -0.440 20 0 DBADRM CC[C@@H]1CCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001609200935 1019371479 /nfs/dbraw/zinc/37/14/79/1019371479.db2.gz QUZCIBNRNZSYQV-SECBINFHSA-N -1 0 305.346 -0.100 20 0 DBADRM CC[C@]1(O)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001609197949 1019372987 /nfs/dbraw/zinc/37/29/87/1019372987.db2.gz DFVSVOZQCJLPMX-NSHDSACASA-N -1 0 313.339 -0.005 20 0 DBADRM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C[C@@H]1O ZINC001609202860 1019373453 /nfs/dbraw/zinc/37/34/53/1019373453.db2.gz QWENPSKQQFVFPZ-SFYZADRCSA-N -1 0 313.339 -0.149 20 0 DBADRM CCCNC(=O)CCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609215650 1019375229 /nfs/dbraw/zinc/37/52/29/1019375229.db2.gz WZIAHSDDVDSNAL-QMMMGPOBSA-N -1 0 321.345 -0.948 20 0 DBADRM CCc1nn(CC[S@@](C)=O)c(=O)c(-c2nnn[n-]2)c1CC ZINC001609255203 1019387855 /nfs/dbraw/zinc/38/78/55/1019387855.db2.gz DTDPBOBNOLMNOK-OAQYLSRUSA-N -1 0 310.383 -0.073 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2coc(C)n2)c1=O ZINC001609258063 1019391024 /nfs/dbraw/zinc/39/10/24/1019391024.db2.gz QENOXZJMHFGAHL-UHFFFAOYSA-N -1 0 303.282 -0.445 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCc2cscn2)c1=O ZINC001609257735 1019391180 /nfs/dbraw/zinc/39/11/80/1019391180.db2.gz HLCFDZBAACIQKB-UHFFFAOYSA-N -1 0 319.350 -0.091 20 0 DBADRM CN(Cc1nncn1C)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609281486 1019396941 /nfs/dbraw/zinc/39/69/41/1019396941.db2.gz IQKDPAGJVQXORT-UHFFFAOYSA-N -1 0 324.326 -0.591 20 0 DBADRM CN(C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC001609269010 1019398245 /nfs/dbraw/zinc/39/82/45/1019398245.db2.gz WDTBSAWOVSZNTQ-FPLPWBNLSA-N -1 0 322.350 -0.198 20 0 DBADRM COC(C)(C)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609307566 1019416702 /nfs/dbraw/zinc/41/67/02/1019416702.db2.gz GVPYMZQTNYZHJC-UHFFFAOYSA-N -1 0 309.334 -0.818 20 0 DBADRM COC(=O)CCCOC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609298503 1019420541 /nfs/dbraw/zinc/42/05/41/1019420541.db2.gz WSZNZRBBMRCJLM-ZETCQYMHSA-N -1 0 309.286 -0.484 20 0 DBADRM COC(=O)[C@@H](C)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001609301229 1019423284 /nfs/dbraw/zinc/42/32/84/1019423284.db2.gz JJSKRZAZNKSAFO-ZCFIWIBFSA-N -1 0 312.311 -0.899 20 0 DBADRM COCCCNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609323174 1019428664 /nfs/dbraw/zinc/42/86/64/1019428664.db2.gz HHXHFVIUOQEQFR-UHFFFAOYSA-N -1 0 309.282 -0.231 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-]c1n[nH]cc1-c1nn[nH]n1)C1CC1 ZINC001609310521 1019431662 /nfs/dbraw/zinc/43/16/62/1019431662.db2.gz JKOGXKHPALUFKU-QMMMGPOBSA-N -1 0 313.343 -0.244 20 0 DBADRM CO[C@@H]1CN(Cn2ccc(C)c(-c3nnn[n-]3)c2=O)C[C@@H]1OC ZINC001609332948 1019438762 /nfs/dbraw/zinc/43/87/62/1019438762.db2.gz ZAFSJQUUPFDZKL-PHIMTYICSA-N -1 0 320.353 -0.360 20 0 DBADRM COc1cccc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c1 ZINC001609361199 1019443412 /nfs/dbraw/zinc/44/34/12/1019443412.db2.gz LTIKUCNTXNGGTG-UHFFFAOYSA-N -1 0 314.309 -0.103 20 0 DBADRM Cc1cc(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)[nH]n1 ZINC001609400688 1019452102 /nfs/dbraw/zinc/45/21/02/1019452102.db2.gz AFBNIPWHIBZGPK-ZETCQYMHSA-N -1 0 302.302 -0.633 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)n(CCN2CCCS2(=O)=O)c1 ZINC001609386563 1019452842 /nfs/dbraw/zinc/45/28/42/1019452842.db2.gz PCHLIGZOVWLHAF-UHFFFAOYSA-N -1 0 324.366 -0.628 20 0 DBADRM Cc1ccc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c(C)n1 ZINC001609419310 1019455389 /nfs/dbraw/zinc/45/53/89/1019455389.db2.gz YTBQQZAQCPFCAB-UHFFFAOYSA-N -1 0 313.325 -0.100 20 0 DBADRM Cc1cnn(CCOC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)c1 ZINC001609441851 1019455702 /nfs/dbraw/zinc/45/57/02/1019455702.db2.gz JXOYTWSUAJQXLM-SECBINFHSA-N -1 0 317.313 -0.232 20 0 DBADRM O=C(NCCNC(=O)c1c[n-]n2c1nccc2=O)c1cc[nH]c1 ZINC001575205399 1019478192 /nfs/dbraw/zinc/47/81/92/1019478192.db2.gz KJBKTGXVGXRBAL-UHFFFAOYSA-N -1 0 314.305 -0.490 20 0 DBADRM Cn1ncc(-c2nn[nH]n2)c1[N-]S(=O)(=O)c1cccnc1 ZINC001609482077 1019479599 /nfs/dbraw/zinc/47/95/99/1019479599.db2.gz GTKMSNXVAGAZEB-UHFFFAOYSA-N -1 0 306.311 -0.204 20 0 DBADRM O=C(CCc1[nH]c(O)nc1O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001609521662 1019494021 /nfs/dbraw/zinc/49/40/21/1019494021.db2.gz FHNFRGCOJXICNV-SECBINFHSA-N -1 0 315.293 -0.207 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cc2c(cn1)CCC2 ZINC001609538156 1019499573 /nfs/dbraw/zinc/49/95/73/1019499573.db2.gz XFDQCECDJPNGNT-UHFFFAOYSA-N -1 0 311.309 -0.019 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001609537400 1019502537 /nfs/dbraw/zinc/50/25/37/1019502537.db2.gz ODVHLACVPCDWFL-ZJUUUORDSA-N -1 0 318.341 -0.514 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001609557692 1019508338 /nfs/dbraw/zinc/50/83/38/1019508338.db2.gz MVBJDGZZUUFGIS-UHFFFAOYSA-N -1 0 323.219 -0.249 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cccc2n[nH]cc21 ZINC001609552653 1019508603 /nfs/dbraw/zinc/50/86/03/1019508603.db2.gz UVYHSKSWLGVLEU-UHFFFAOYSA-N -1 0 324.308 -0.236 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccnc(-c2nn[nH]n2)c1 ZINC001609559703 1019511329 /nfs/dbraw/zinc/51/13/29/1019511329.db2.gz AFPHKELCNQRCKS-QMMMGPOBSA-N -1 0 324.322 -0.890 20 0 DBADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)s1 ZINC001609571718 1019517230 /nfs/dbraw/zinc/51/72/30/1019517230.db2.gz AQAWORBEZFDKEQ-YFKPBYRVSA-N -1 0 315.336 -0.224 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001609571670 1019521580 /nfs/dbraw/zinc/52/15/80/1019521580.db2.gz PXMGTKMIAXOCFP-SECBINFHSA-N -1 0 324.322 -0.501 20 0 DBADRM C[C@@H](NC(=O)Cn1nnc(N)n1)c1ccc(-c2nn[nH]n2)cc1 ZINC001575299097 1019521734 /nfs/dbraw/zinc/52/17/34/1019521734.db2.gz ZMPMYMXIHISNQZ-SSDOTTSWSA-N -1 0 314.313 -0.687 20 0 DBADRM C[C@H](NC(=O)Nc1ccnc(-c2nn[nH]n2)c1)C(=O)NCCF ZINC001575305687 1019523768 /nfs/dbraw/zinc/52/37/68/1019523768.db2.gz XNUIBYQGPMPHQW-ZETCQYMHSA-N -1 0 322.304 -0.143 20 0 DBADRM O=S(=O)(NCC1(CCO)CC1)c1cccnc1-c1nnn[n-]1 ZINC001609594367 1019524468 /nfs/dbraw/zinc/52/44/68/1019524468.db2.gz HZLQODDQEIPTMZ-UHFFFAOYSA-N -1 0 324.366 -0.297 20 0 DBADRM CC(=O)N1CCC(NC(=O)NCCn2cc(C(=O)[O-])nn2)CC1 ZINC001609591324 1019526236 /nfs/dbraw/zinc/52/62/36/1019526236.db2.gz SEUMAGLLIHDACJ-UHFFFAOYSA-N -1 0 324.341 -0.714 20 0 DBADRM O=S(=O)(NCC1(CO)CC1)c1cccnc1-c1nnn[n-]1 ZINC001609594625 1019526575 /nfs/dbraw/zinc/52/65/75/1019526575.db2.gz VEKFMBOZDKOLKN-UHFFFAOYSA-N -1 0 310.339 -0.688 20 0 DBADRM CC(=O)N1CCC[C@H](CNC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC001609590996 1019526726 /nfs/dbraw/zinc/52/67/26/1019526726.db2.gz BGQUMHYOYYUAOL-NEPJUHHUSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001609619882 1019532769 /nfs/dbraw/zinc/53/27/69/1019532769.db2.gz CMWMZPUBPDZTSS-JTQLQIEISA-N -1 0 309.326 -0.649 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC001609621893 1019536919 /nfs/dbraw/zinc/53/69/19/1019536919.db2.gz KEKMXRUSZAZZJX-GHMZBOCLSA-N -1 0 313.354 -0.612 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)NCCOCCO)c(C(=O)[O-])c1C ZINC001609627660 1019537398 /nfs/dbraw/zinc/53/73/98/1019537398.db2.gz SDEKLUJPTHGZJE-UHFFFAOYSA-N -1 0 312.322 -0.108 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC001609635049 1019537533 /nfs/dbraw/zinc/53/75/33/1019537533.db2.gz OWEDKIDELRHMOQ-QWRGUYRKSA-N -1 0 321.381 -0.007 20 0 DBADRM C[C@@H](C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)N1CCN(C)CC1 ZINC001609633371 1019537639 /nfs/dbraw/zinc/53/76/39/1019537639.db2.gz ZOUSAZPPDWEGFR-AAEUAGOBSA-N -1 0 313.398 -0.694 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N[C@H](CF)C(=O)[O-])n1cccn1 ZINC001609631625 1019537883 /nfs/dbraw/zinc/53/78/83/1019537883.db2.gz KQTPNMWNUVXAKV-DTWKUNHWSA-N -1 0 300.290 -0.559 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N1CC(C)(C(=O)[O-])C1)n1cccn1 ZINC001609631737 1019539107 /nfs/dbraw/zinc/53/91/07/1019539107.db2.gz NDVOMYDKKSDQMZ-JTQLQIEISA-N -1 0 308.338 -0.164 20 0 DBADRM CC(=O)c1cn(CC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)nn1 ZINC001609630346 1019540121 /nfs/dbraw/zinc/54/01/21/1019540121.db2.gz BLHAVBALKZCGLQ-SNVBAGLBSA-N -1 0 323.353 -0.512 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@H]3CC(C(=O)[O-])=NO3)[C@@H]2C1 ZINC001609645837 1019542262 /nfs/dbraw/zinc/54/22/62/1019542262.db2.gz RGBGQDMWMDMWPB-SRRSOLGSSA-N -1 0 323.349 -0.021 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)COC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001609648115 1019542978 /nfs/dbraw/zinc/54/29/78/1019542978.db2.gz NUGKCPCWOUFUKN-QMMMGPOBSA-N -1 0 323.305 -0.014 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC001609659094 1019543949 /nfs/dbraw/zinc/54/39/49/1019543949.db2.gz YUMNXMLWJOBZIR-YUMQZZPRSA-N -1 0 302.283 -0.965 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)OCC(=O)CCC(=O)[O-] ZINC001609654024 1019544076 /nfs/dbraw/zinc/54/40/76/1019544076.db2.gz FCYDJSLXPGWVDV-SNVBAGLBSA-N -1 0 323.367 -0.073 20 0 DBADRM CC(=O)NCCN(C(=O)C[C@H]1CCCC(=O)N1)[C@H](C)C(=O)[O-] ZINC001609673548 1019544889 /nfs/dbraw/zinc/54/48/89/1019544889.db2.gz GFPGZMMOUGNCIX-MWLCHTKSSA-N -1 0 313.354 -0.517 20 0 DBADRM CC(C)(C)C(=O)C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001609653052 1019545183 /nfs/dbraw/zinc/54/51/83/1019545183.db2.gz OUUKEYAHDAHDRN-UHFFFAOYSA-N -1 0 305.352 -0.250 20 0 DBADRM CC(C)(C)C[C@@H](O)CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001609656021 1019545357 /nfs/dbraw/zinc/54/53/57/1019545357.db2.gz BNKWQJJJGXPMKI-UWVGGRQHSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001609659556 1019545624 /nfs/dbraw/zinc/54/56/24/1019545624.db2.gz XOMKSSOXUBNWDZ-ZJUUUORDSA-N -1 0 316.354 -0.788 20 0 DBADRM CC(C)(C)C[C@@H](O)CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001609656022 1019545922 /nfs/dbraw/zinc/54/59/22/1019545922.db2.gz BNKWQJJJGXPMKI-VHSXEESVSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)[C@H]1CCC(=O)NC1)C(=O)[O-] ZINC001609693768 1019548106 /nfs/dbraw/zinc/54/81/06/1019548106.db2.gz BTHBINVUUMIGHF-UWVGGRQHSA-N -1 0 314.338 -0.329 20 0 DBADRM CC(C)(O)CCNC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001609681393 1019548228 /nfs/dbraw/zinc/54/82/28/1019548228.db2.gz HOCLVRKHERVDCE-JTQLQIEISA-N -1 0 312.366 -0.023 20 0 DBADRM CC(C)(O)CCNC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001609681394 1019548491 /nfs/dbraw/zinc/54/84/91/1019548491.db2.gz HOCLVRKHERVDCE-SNVBAGLBSA-N -1 0 312.366 -0.023 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCN(CCCO)CC1)C(=O)[O-] ZINC001609677122 1019548500 /nfs/dbraw/zinc/54/85/00/1019548500.db2.gz NULLSVYLGBQNSF-UHFFFAOYSA-N -1 0 308.400 -0.573 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001609682795 1019548780 /nfs/dbraw/zinc/54/87/80/1019548780.db2.gz MRDCWTBCXASMDD-BQBZGAKWSA-N -1 0 314.260 -0.359 20 0 DBADRM CC(C)(CO)CCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001609677132 1019548877 /nfs/dbraw/zinc/54/88/77/1019548877.db2.gz KIZSQWAHZAGMOZ-SNVBAGLBSA-N -1 0 300.355 -0.166 20 0 DBADRM CC(C)(CS(=O)(=O)NCCCN1CCOC1=O)C(=O)[O-] ZINC001609677883 1019548908 /nfs/dbraw/zinc/54/89/08/1019548908.db2.gz IXHMDHUDKQNJCV-UHFFFAOYSA-N -1 0 308.356 -0.141 20 0 DBADRM CC(C)N1C[C@H](NC(=O)NCCn2cc(C(=O)[O-])nn2)CC1=O ZINC001609706153 1019550453 /nfs/dbraw/zinc/55/04/53/1019550453.db2.gz WUGNQJVSEYDOKY-SECBINFHSA-N -1 0 324.341 -0.715 20 0 DBADRM CC(C)N(CCC(=O)[O-])C(=O)Cn1ncn2nccc2c1=O ZINC001609704932 1019551758 /nfs/dbraw/zinc/55/17/58/1019551758.db2.gz RPINQYFQOMNETI-UHFFFAOYSA-N -1 0 307.310 -0.397 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)CC(C)(C)CC(=O)[O-] ZINC001609707568 1019552322 /nfs/dbraw/zinc/55/23/22/1019552322.db2.gz JUJDTRISXYZZKQ-UHFFFAOYSA-N -1 0 323.415 -0.174 20 0 DBADRM CC(C)[C@H](NC(=O)CN1C[C@H](C)S(=O)(=O)[C@@H](C)C1)C(=O)[O-] ZINC001609716774 1019555162 /nfs/dbraw/zinc/55/51/62/1019555162.db2.gz TZAUQRHLLUTYDD-NHCYSSNCSA-N -1 0 320.411 -0.281 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001609723939 1019553620 /nfs/dbraw/zinc/55/36/20/1019553620.db2.gz DSNQHXRIPIHTQB-VHSXEESVSA-N -1 0 317.367 -0.080 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@H](O)C1CCOCC1)C(=O)[O-] ZINC001609716235 1019554098 /nfs/dbraw/zinc/55/40/98/1019554098.db2.gz ASRUHISDWDLZPI-NWDGAFQWSA-N -1 0 317.338 -0.458 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccoc2CC(N)=O)CC1 ZINC001609735165 1019554992 /nfs/dbraw/zinc/55/49/92/1019554992.db2.gz LNCNMIABAREUCK-JTQLQIEISA-N -1 0 323.349 -0.072 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC2(CNC(=O)C2)CC1)C(=O)[O-] ZINC001609716480 1019555465 /nfs/dbraw/zinc/55/54/65/1019555465.db2.gz JPKDGUHTOSSQAP-ZDUSSCGKSA-N -1 0 311.382 -0.186 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2ccnn2C)CC1 ZINC001609734942 1019555541 /nfs/dbraw/zinc/55/55/41/1019555541.db2.gz GGNJFAZPYGGAAM-JTQLQIEISA-N -1 0 316.383 -0.410 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)NCCN1CCS(=O)(=O)CC1 ZINC001609733136 1019556557 /nfs/dbraw/zinc/55/65/57/1019556557.db2.gz AORUGVHKJPVVSB-JTQLQIEISA-N -1 0 306.384 -0.666 20 0 DBADRM C[C@H](C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CCC1 ZINC001575402498 1019557447 /nfs/dbraw/zinc/55/74/47/1019557447.db2.gz JXQXASNFHLRDFZ-QMMMGPOBSA-N -1 0 311.342 -0.642 20 0 DBADRM C[C@H](Cc1ccco1)NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001609749097 1019558005 /nfs/dbraw/zinc/55/80/05/1019558005.db2.gz APKGWADVLRDAHL-MXWKQRLJSA-N -1 0 324.333 -0.379 20 0 DBADRM C[C@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)C2)S(N)(=O)=O ZINC001609744462 1019559222 /nfs/dbraw/zinc/55/92/22/1019559222.db2.gz GMHUQKBUZNUJRN-HUUUCTMMSA-N -1 0 304.368 -0.185 20 0 DBADRM C[C@H](CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C(=O)[O-] ZINC001609744739 1019559501 /nfs/dbraw/zinc/55/95/01/1019559501.db2.gz RGPQBDBYAYNLGS-ZCFIWIBFSA-N -1 0 323.309 -0.868 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCO[C@@H](C(=O)C2CC2)C1)C(=O)[O-] ZINC001609751482 1019559799 /nfs/dbraw/zinc/55/97/99/1019559799.db2.gz ZFHZOXTUUHTZCC-PSASIEDQSA-N -1 0 305.352 -0.283 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@H](C)c1nnc2n1CCC2)C(=O)[O-] ZINC001609750596 1019559885 /nfs/dbraw/zinc/55/98/85/1019559885.db2.gz QBJXNYFBLHWIKA-JGVFFNPUSA-N -1 0 302.356 -0.075 20 0 DBADRM CC(CO)(CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001609746021 1019559928 /nfs/dbraw/zinc/55/99/28/1019559928.db2.gz AHHIRUKFPXMOJZ-UHFFFAOYSA-N -1 0 302.308 -0.756 20 0 DBADRM C[C@@](O)(CNC(=O)CN1Cc2ccccc2OC1=O)C(=O)[O-] ZINC001609784214 1019561444 /nfs/dbraw/zinc/56/14/44/1019561444.db2.gz DHHORIMOVIWYHH-CQSZACIVSA-N -1 0 308.290 -0.047 20 0 DBADRM C[C@@](NCc1nc(CS(C)(=O)=O)no1)(C(=O)[O-])C1CC1 ZINC001609779861 1019561997 /nfs/dbraw/zinc/56/19/97/1019561997.db2.gz NJTHFWCFPBYJAY-NSHDSACASA-N -1 0 303.340 -0.043 20 0 DBADRM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)NC[C@H](O)C(=O)[O-] ZINC001609769514 1019562016 /nfs/dbraw/zinc/56/20/16/1019562016.db2.gz WRPPYZZNNNOVID-XCBNKYQSSA-N -1 0 320.305 -0.757 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CCO1 ZINC001609788088 1019564043 /nfs/dbraw/zinc/56/40/43/1019564043.db2.gz NBGQFWJQKKCMHI-CABZTGNLSA-N -1 0 322.317 -0.069 20 0 DBADRM C[C@@H](O)CN(C)C(=O)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001609788548 1019564283 /nfs/dbraw/zinc/56/42/83/1019564283.db2.gz WUASXEBWYSLSQP-RQJHMYQMSA-N -1 0 315.351 -0.142 20 0 DBADRM C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC001609790225 1019564675 /nfs/dbraw/zinc/56/46/75/1019564675.db2.gz ZGXUUGJLIJBIDD-MNOVXSKESA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@]2(CC(=O)[O-])CCCOC2)nn1 ZINC001609790871 1019565048 /nfs/dbraw/zinc/56/50/48/1019565048.db2.gz JWUPYWPSSQAYFL-ZANVPECISA-N -1 0 312.326 -0.529 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC001609790227 1019565311 /nfs/dbraw/zinc/56/53/11/1019565311.db2.gz ZGXUUGJLIJBIDD-WDEREUQCSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001609788798 1019565678 /nfs/dbraw/zinc/56/56/78/1019565678.db2.gz ZCEQZDMKXHLLQA-NXEZZACHSA-N -1 0 318.395 -0.508 20 0 DBADRM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)c1ccnn1C ZINC001575416087 1019566499 /nfs/dbraw/zinc/56/64/99/1019566499.db2.gz FISPUPJJUMKBTD-LURJTMIESA-N -1 0 317.313 -0.427 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCCC1CS(=O)(=O)C1 ZINC001609830979 1019574353 /nfs/dbraw/zinc/57/43/53/1019574353.db2.gz HTYSFKDGAOZUAV-WCBMZHEXSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@@H](OC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)NCC(=O)[O-] ZINC001609798390 1019568047 /nfs/dbraw/zinc/56/80/47/1019568047.db2.gz UAMJLCFXYLFGOI-SSDOTTSWSA-N -1 0 322.273 -0.236 20 0 DBADRM C[C@H](OC(=O)CN1CC(=O)NC1=O)C(=O)C(C)(C)C(=O)[O-] ZINC001609795115 1019568423 /nfs/dbraw/zinc/56/84/23/1019568423.db2.gz WAVFCBSFEUNEJD-LURJTMIESA-N -1 0 300.267 -0.850 20 0 DBADRM C[C@@H](OC(=O)CN(C)S(C)(=O)=O)C(=O)C(C)(C)C(=O)[O-] ZINC001609793157 1019568513 /nfs/dbraw/zinc/56/85/13/1019568513.db2.gz FQMFLXBVVHYRHJ-SSDOTTSWSA-N -1 0 309.340 -0.511 20 0 DBADRM C[C@H](OC(=O)CN1CCCCCC1=O)C(=O)NCC(=O)[O-] ZINC001609793282 1019568561 /nfs/dbraw/zinc/56/85/61/1019568561.db2.gz GWFSAVIXLILSNH-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM C[C@@H](OC(=O)c1ccc(=O)n(C)n1)c1cn(CC(=O)[O-])nn1 ZINC001609798073 1019568749 /nfs/dbraw/zinc/56/87/49/1019568749.db2.gz LPOWXIMQKKDTDE-SSDOTTSWSA-N -1 0 307.266 -0.626 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001609806438 1019570771 /nfs/dbraw/zinc/57/07/71/1019570771.db2.gz LPZVVGROVVRDBZ-CBAPKCEASA-N -1 0 324.366 -0.029 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001609814139 1019570917 /nfs/dbraw/zinc/57/09/17/1019570917.db2.gz GTQFHGMMWPLTFB-LBPRGKRZSA-N -1 0 304.368 -0.265 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC001609811946 1019571170 /nfs/dbraw/zinc/57/11/70/1019571170.db2.gz WSQDNLSGESZKKW-MEBBXXQBSA-N -1 0 320.349 -0.363 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C2=NN(CCO)C(=O)CC2)C1 ZINC001609813762 1019571205 /nfs/dbraw/zinc/57/12/05/1019571205.db2.gz FPLZUDKJGGRLJO-CQSZACIVSA-N -1 0 311.338 -0.330 20 0 DBADRM CC1(C)CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@]2(CCOC2)O1 ZINC001609817122 1019571583 /nfs/dbraw/zinc/57/15/83/1019571583.db2.gz ZMQRKNBYYJEAAX-AWEZNQCLSA-N -1 0 324.337 -0.227 20 0 DBADRM CC1(C)[C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](CC(=O)[O-])C3)C[C@@H]21 ZINC001609814013 1019572225 /nfs/dbraw/zinc/57/22/25/1019572225.db2.gz KOMFAQTWYNKMEF-GARJFASQSA-N -1 0 310.350 -0.197 20 0 DBADRM CC1(C)CCC[C@@H]1NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001609818725 1019572877 /nfs/dbraw/zinc/57/28/77/1019572877.db2.gz XCTVHJOFYHVZCZ-MXWKQRLJSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C1(S(C)(=O)=O)CCOCC1 ZINC001609831417 1019572920 /nfs/dbraw/zinc/57/29/20/1019572920.db2.gz BXGHRICIDNYKLW-NXEZZACHSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001609830886 1019573920 /nfs/dbraw/zinc/57/39/20/1019573920.db2.gz PMTQLADMBUGNIH-MRVPVSSYSA-N -1 0 305.290 -0.030 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CCO1 ZINC001609818559 1019574619 /nfs/dbraw/zinc/57/46/19/1019574619.db2.gz LGJNDJZKZYNCLW-NXEZZACHSA-N -1 0 322.383 -0.891 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NC1COC(C)(C)OC1 ZINC001609838243 1019575923 /nfs/dbraw/zinc/57/59/23/1019575923.db2.gz XHFZOVZHSZCBHY-WCBMZHEXSA-N -1 0 314.338 -0.424 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001609877650 1019587348 /nfs/dbraw/zinc/58/73/48/1019587348.db2.gz BESBSMYMHPBHSB-WKEGUHRASA-N -1 0 322.364 -0.341 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NC1COC(C)(C)OC1 ZINC001609838247 1019576344 /nfs/dbraw/zinc/57/63/44/1019576344.db2.gz XHFZOVZHSZCBHY-WPRPVWTQSA-N -1 0 314.338 -0.424 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1coc(S(N)(=O)=O)c1 ZINC001609835405 1019576489 /nfs/dbraw/zinc/57/64/89/1019576489.db2.gz TWEAZKMFMKVIGQ-HTRCEHHLSA-N -1 0 302.308 -0.138 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCc1ccn(C)n1 ZINC001609833856 1019576585 /nfs/dbraw/zinc/57/65/85/1019576585.db2.gz KYRYYQFGMHBMNX-MWLCHTKSSA-N -1 0 308.338 -0.600 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCc1ccn(C)n1 ZINC001609833853 1019577025 /nfs/dbraw/zinc/57/70/25/1019577025.db2.gz KYRYYQFGMHBMNX-GXSJLCMTSA-N -1 0 308.338 -0.600 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(F)(F)C(=O)N1CCOCC1 ZINC001609831912 1019577553 /nfs/dbraw/zinc/57/75/53/1019577553.db2.gz CRTHLDYFGOMPSS-IUCAKERBSA-N -1 0 320.292 -0.198 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)C[C@H]1O ZINC001609862606 1019579170 /nfs/dbraw/zinc/57/91/70/1019579170.db2.gz JGQCERWXVLAKOG-JOYOIKCWSA-N -1 0 322.317 -0.072 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCC([C@@H](O)C(=O)[O-])CC2)CCO1 ZINC001609863831 1019579352 /nfs/dbraw/zinc/57/93/52/1019579352.db2.gz GHXPWZRHQQDWER-GXFFZTMASA-N -1 0 300.355 -0.609 20 0 DBADRM CC1CCN(C(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CC1 ZINC001609855050 1019579677 /nfs/dbraw/zinc/57/96/77/1019579677.db2.gz KRXUCXMIHJIEBW-GFCCVEGCSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@H](C(=O)[O-])C1 ZINC001609858974 1019579692 /nfs/dbraw/zinc/57/96/92/1019579692.db2.gz CHYUPUSHYSWRCJ-ONGXEEELSA-N -1 0 319.321 -0.397 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001609862868 1019580167 /nfs/dbraw/zinc/58/01/67/1019580167.db2.gz SGCSZKMGZKIZRX-KWQFWETISA-N -1 0 319.317 -0.036 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1 ZINC001609857383 1019580255 /nfs/dbraw/zinc/58/02/55/1019580255.db2.gz SPZZZXVCUBSQMB-ZIBATOQPSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1C(=O)Cn1ncn(C)c1=O ZINC001609848577 1019580723 /nfs/dbraw/zinc/58/07/23/1019580723.db2.gz GBJHJHJILIXHCK-VPOLOUISSA-N -1 0 324.337 -0.797 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC001609865073 1019582739 /nfs/dbraw/zinc/58/27/39/1019582739.db2.gz MMLXVJNIDWZDSA-ZJUUUORDSA-N -1 0 324.337 -0.163 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)CC[S@](=O)C1 ZINC001609869768 1019583581 /nfs/dbraw/zinc/58/35/81/1019583581.db2.gz XOGGGUOGTWNEAQ-FHZGZLOMSA-N -1 0 300.340 -0.797 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC001609865072 1019584052 /nfs/dbraw/zinc/58/40/52/1019584052.db2.gz MMLXVJNIDWZDSA-VHSXEESVSA-N -1 0 324.337 -0.163 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCS(=O)(=O)C[C@H](C)C1)C(=O)[O-] ZINC001609867344 1019584139 /nfs/dbraw/zinc/58/41/39/1019584139.db2.gz AEGPQJXSOUYALO-PWSUYJOCSA-N -1 0 320.411 -0.422 20 0 DBADRM O=C(Cc1ccccc1)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575466874 1019584486 /nfs/dbraw/zinc/58/44/86/1019584486.db2.gz MQEZIOZCCSCNMR-UHFFFAOYSA-N -1 0 317.305 -0.629 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001609878136 1019585279 /nfs/dbraw/zinc/58/52/79/1019585279.db2.gz KZJKFXQAGXHRFU-WCBMZHEXSA-N -1 0 316.335 -0.450 20 0 DBADRM C[C@H]1OCC[C@H]1S(=O)(=O)CCc1cn(CC(=O)[O-])nn1 ZINC001609881268 1019585362 /nfs/dbraw/zinc/58/53/62/1019585362.db2.gz OGCKCYNXYXYTSN-PSASIEDQSA-N -1 0 303.340 -0.503 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CCCC(=O)[O-])[C@H](C)CN1CCO ZINC001609875098 1019586293 /nfs/dbraw/zinc/58/62/93/1019586293.db2.gz RYPCKUUNYOZRPQ-GHMZBOCLSA-N -1 0 308.400 -0.432 20 0 DBADRM CCC(=O)c1ccc(OCC(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001609882406 1019586917 /nfs/dbraw/zinc/58/69/17/1019586917.db2.gz KSLOGXYVZFYAES-UHFFFAOYSA-N -1 0 322.317 -0.025 20 0 DBADRM C[C@H]1OCC[C@@H]1S(=O)(=O)CCc1cn(CC(=O)[O-])nn1 ZINC001609881269 1019586959 /nfs/dbraw/zinc/58/69/59/1019586959.db2.gz OGCKCYNXYXYTSN-SCZZXKLOSA-N -1 0 303.340 -0.503 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001609878134 1019587651 /nfs/dbraw/zinc/58/76/51/1019587651.db2.gz KZJKFXQAGXHRFU-PSASIEDQSA-N -1 0 316.335 -0.450 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@@H]([C@H](C)O)C1)C(=O)[O-] ZINC001609887573 1019588600 /nfs/dbraw/zinc/58/86/00/1019588600.db2.gz OAIXBSIJRPEAPA-OUAUKWLOSA-N -1 0 300.355 -0.215 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001609893536 1019589070 /nfs/dbraw/zinc/58/90/70/1019589070.db2.gz WXAPLTCSWNPUFU-IVZWLZJFSA-N -1 0 314.338 -0.247 20 0 DBADRM CC[C@H](CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(=O)OC ZINC001609919649 1019589362 /nfs/dbraw/zinc/58/93/62/1019589362.db2.gz FOOQUYSHZTTYNZ-MRVPVSSYSA-N -1 0 319.339 -0.555 20 0 DBADRM CC[C@@H](CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(=O)OC ZINC001609919663 1019590418 /nfs/dbraw/zinc/59/04/18/1019590418.db2.gz FOOQUYSHZTTYNZ-QMMMGPOBSA-N -1 0 319.339 -0.555 20 0 DBADRM C[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(=O)NCc1ccco1 ZINC001609913821 1019590620 /nfs/dbraw/zinc/59/06/20/1019590620.db2.gz AGXFXXHEJXUCFF-OIBJUYFYSA-N -1 0 309.278 -0.370 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001609913948 1019590716 /nfs/dbraw/zinc/59/07/16/1019590716.db2.gz GAMKSCWFSQGCTI-SECBINFHSA-N -1 0 309.326 -0.894 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)OCC(=O)N1CCN(C(C)=O)CC1 ZINC001609893174 1019591013 /nfs/dbraw/zinc/59/10/13/1019591013.db2.gz RAQBVZXZECUIIL-SNVBAGLBSA-N -1 0 300.311 -0.669 20 0 DBADRM CC[C@H](CO)N1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC001609923654 1019592881 /nfs/dbraw/zinc/59/28/81/1019592881.db2.gz QCAUMAUWYQUCJF-LLVKDONJSA-N -1 0 308.400 -0.431 20 0 DBADRM CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1 ZINC001609952994 1019593167 /nfs/dbraw/zinc/59/31/67/1019593167.db2.gz WTSJVDWYJUQSLS-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001609945874 1019593815 /nfs/dbraw/zinc/59/38/15/1019593815.db2.gz BVHGTTNXYLUKIK-KXNHARMFSA-N -1 0 312.366 -0.025 20 0 DBADRM CC(C)(C)c1ncc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])cn1 ZINC001609943364 1019593944 /nfs/dbraw/zinc/59/39/44/1019593944.db2.gz YVXXPMDEWYJHGE-AWEZNQCLSA-N -1 0 324.337 -0.336 20 0 DBADRM CCCN1C[C@H](C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CC1=O ZINC001609978561 1019594617 /nfs/dbraw/zinc/59/46/17/1019594617.db2.gz OVXLAKHORMZARZ-DGCLKSJQSA-N -1 0 312.366 -0.071 20 0 DBADRM CCC[C@@](C)(NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001609954165 1019596132 /nfs/dbraw/zinc/59/61/32/1019596132.db2.gz ZFKVNNLYVLODCR-GXFFZTMASA-N -1 0 320.411 -0.135 20 0 DBADRM CCCN(C)S(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001609975702 1019596460 /nfs/dbraw/zinc/59/64/60/1019596460.db2.gz WQPHAUVYSCSXFV-UHFFFAOYSA-N -1 0 303.344 -0.580 20 0 DBADRM CCCN1C[C@H](CNS(=O)(=O)N(C)CCC(=O)[O-])CC1=O ZINC001609979066 1019596705 /nfs/dbraw/zinc/59/67/05/1019596705.db2.gz RAQFMKKCLBSQDL-JTQLQIEISA-N -1 0 321.399 -0.514 20 0 DBADRM CCN(C)C(=O)[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(C)C ZINC001609990744 1019598472 /nfs/dbraw/zinc/59/84/72/1019598472.db2.gz SUFSEGZFJLKBQI-NSHDSACASA-N -1 0 323.415 -0.270 20 0 DBADRM CCN(CC)CC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001609998892 1019599039 /nfs/dbraw/zinc/59/90/39/1019599039.db2.gz CMWNGFFNTFWQQW-UHFFFAOYSA-N -1 0 306.384 -0.524 20 0 DBADRM CCOC(=O)[C@H](F)C1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001610012553 1019601420 /nfs/dbraw/zinc/60/14/20/1019601420.db2.gz JEANKSKGDDMFOA-SNVBAGLBSA-N -1 0 314.273 -0.664 20 0 DBADRM CCOC(=O)C1(COC)CCN(C(=O)COCC(=O)[O-])CC1 ZINC001610012719 1019602710 /nfs/dbraw/zinc/60/27/10/1019602710.db2.gz NYILAYYHDQGRHE-UHFFFAOYSA-N -1 0 317.338 -0.094 20 0 DBADRM CCNC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001610010150 1019602796 /nfs/dbraw/zinc/60/27/96/1019602796.db2.gz ZVBYPZNRQKSBCW-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])[C@H]1CCCOC1 ZINC001610011679 1019603582 /nfs/dbraw/zinc/60/35/82/1019603582.db2.gz AYUCDBCBLNHUFK-JBLDHEPKSA-N -1 0 316.354 -0.347 20 0 DBADRM CC(C)CC(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001505926094 1019604390 /nfs/dbraw/zinc/60/43/90/1019604390.db2.gz NHSKWOZTVQRDQV-UHFFFAOYSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@@H](c1cccnc1)N(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001610018973 1019604778 /nfs/dbraw/zinc/60/47/78/1019604778.db2.gz QLUPNYUEUVNEOQ-JQWIXIFHSA-N -1 0 321.333 -0.087 20 0 DBADRM CCOC(=O)CCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001610020443 1019605546 /nfs/dbraw/zinc/60/55/46/1019605546.db2.gz ZJNXVAYAPMDHCA-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001610032113 1019605741 /nfs/dbraw/zinc/60/57/41/1019605741.db2.gz YVERELGCXXKDIY-BXKDBHETSA-N -1 0 310.354 -0.132 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)CC(=O)N1CCC(C(N)=O)CC1 ZINC001610032601 1019605757 /nfs/dbraw/zinc/60/57/57/1019605757.db2.gz AMXQWXABGFLSER-LLVKDONJSA-N -1 0 315.370 -0.868 20 0 DBADRM CCOC(=O)C1=C(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)NC(=O)N[C@@H]1C ZINC001610013518 1019605882 /nfs/dbraw/zinc/60/58/82/1019605882.db2.gz ZYOQBTFICHUNCQ-XBWDGYHZSA-N -1 0 323.349 -0.233 20 0 DBADRM CCOC(=O)CN(C)C(=O)COC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001610015668 1019606325 /nfs/dbraw/zinc/60/63/25/1019606325.db2.gz ATRPBVKQBFAWTD-UHFFFAOYSA-N -1 0 312.278 -0.109 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001610049208 1019607899 /nfs/dbraw/zinc/60/78/99/1019607899.db2.gz KBRZGTNJCIJTCP-SECBINFHSA-N -1 0 324.424 -0.120 20 0 DBADRM CC1(C)CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCO1 ZINC001610047739 1019607929 /nfs/dbraw/zinc/60/79/29/1019607929.db2.gz RUTABEDCCXLQBV-SNVBAGLBSA-N -1 0 314.338 -0.674 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001610035544 1019608393 /nfs/dbraw/zinc/60/83/93/1019608393.db2.gz RFJUKLWOLIMSTO-VHSXEESVSA-N -1 0 303.359 -0.999 20 0 DBADRM CCS(=O)(=O)C1CCN([C@H](C)C(=O)NCC(=O)[O-])CC1 ZINC001610051067 1019608411 /nfs/dbraw/zinc/60/84/11/1019608411.db2.gz LUOJTNCLCIWYRA-SECBINFHSA-N -1 0 306.384 -0.525 20 0 DBADRM CCO[C@@H]1COC[C@H]1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001610037961 1019608860 /nfs/dbraw/zinc/60/88/60/1019608860.db2.gz MMIOYPYQLYKJMQ-GHMZBOCLSA-N -1 0 316.335 -0.138 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)c1ccc(C(=O)[O-])n1C ZINC001610048457 1019609073 /nfs/dbraw/zinc/60/90/73/1019609073.db2.gz RHSHNZFBUNXWRF-UHFFFAOYSA-N -1 0 317.367 -0.218 20 0 DBADRM CCO[C@@H]1COC[C@H]1NS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001610037939 1019609095 /nfs/dbraw/zinc/60/90/95/1019609095.db2.gz LLDRCIPIYHGXID-NXEZZACHSA-N -1 0 307.368 -0.035 20 0 DBADRM CCn1cccc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1=O ZINC001610084329 1019610716 /nfs/dbraw/zinc/61/07/16/1019610716.db2.gz BVCWWPCWHZZUIT-NEPJUHHUSA-N -1 0 323.349 -0.155 20 0 DBADRM CCn1nc(C)c(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)n1 ZINC001610084494 1019610841 /nfs/dbraw/zinc/61/08/41/1019610841.db2.gz DVJODEMIGBITJU-ZJUUUORDSA-N -1 0 311.342 -0.417 20 0 DBADRM CCn1cc(CC(=O)OCCc2cn(CC(=O)[O-])nn2)cn1 ZINC001610082878 1019611365 /nfs/dbraw/zinc/61/13/65/1019611365.db2.gz RVUNYZQHIWRZJX-UHFFFAOYSA-N -1 0 307.310 -0.093 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001610068613 1019611560 /nfs/dbraw/zinc/61/15/60/1019611560.db2.gz WGZABQAWMKWOOX-SECBINFHSA-N -1 0 319.317 -0.401 20 0 DBADRM CCn1nc(C)c(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n1 ZINC001610084491 1019611654 /nfs/dbraw/zinc/61/16/54/1019611654.db2.gz DVJODEMIGBITJU-NXEZZACHSA-N -1 0 311.342 -0.417 20 0 DBADRM CCn1ncc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(=O)OC)n1 ZINC001610087556 1019613703 /nfs/dbraw/zinc/61/37/03/1019613703.db2.gz IFVRQZZPMVOPIT-PSASIEDQSA-N -1 0 310.310 -0.224 20 0 DBADRM CN(C)C(=O)NCCN(C)C(=O)C(=O)NCCCCC(=O)[O-] ZINC001610094417 1019613804 /nfs/dbraw/zinc/61/38/04/1019613804.db2.gz SEPJZXNZLOZUSX-UHFFFAOYSA-N -1 0 316.358 -0.913 20 0 DBADRM C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NCCC(=O)[O-])C[C@@H](C)O2 ZINC001610090794 1019614000 /nfs/dbraw/zinc/61/40/00/1019614000.db2.gz SXGMKJCEIKRYLV-GPCCPHFNSA-N -1 0 314.338 -0.628 20 0 DBADRM CN(C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)[C@@H]1CCCOC1 ZINC001610087305 1019614024 /nfs/dbraw/zinc/61/40/24/1019614024.db2.gz GXCGRWPDDSPMJH-MRVPVSSYSA-N -1 0 310.310 -0.306 20 0 DBADRM CN(C(=O)Cn1ncn(C)c1=O)c1nc(CC(=O)[O-])cs1 ZINC001610092638 1019614309 /nfs/dbraw/zinc/61/43/09/1019614309.db2.gz IMJVCUIOLHCXLC-UHFFFAOYSA-N -1 0 311.323 -0.672 20 0 DBADRM CCn1nccc1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001610087204 1019615077 /nfs/dbraw/zinc/61/50/77/1019615077.db2.gz WDMKVMDURNZQAT-UHFFFAOYSA-N -1 0 310.354 -0.238 20 0 DBADRM CCn1ncc(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(=O)OC)n1 ZINC001610087566 1019615365 /nfs/dbraw/zinc/61/53/65/1019615365.db2.gz IFVRQZZPMVOPIT-WCBMZHEXSA-N -1 0 310.310 -0.224 20 0 DBADRM CN(C(=S)NCCCC(=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC001610097486 1019615389 /nfs/dbraw/zinc/61/53/89/1019615389.db2.gz PSUKGLHKKMZOKY-VIFPVBQESA-N -1 0 323.440 -0.309 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCC(C)(C)S(=O)(=O)CC1 ZINC001610109330 1019617206 /nfs/dbraw/zinc/61/72/06/1019617206.db2.gz JQMXQCSYULDBCG-UHFFFAOYSA-N -1 0 320.411 -0.181 20 0 DBADRM C[C@H]1OCC[C@@]12CN(CCS(=O)(=O)CC(=O)[O-])CCO2 ZINC001610100835 1019617412 /nfs/dbraw/zinc/61/74/12/1019617412.db2.gz LZJIWIDJQHJXQY-ZYHUDNBSSA-N -1 0 307.368 -0.634 20 0 DBADRM CN([C@@H]1CCNC1=O)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001610108076 1019617426 /nfs/dbraw/zinc/61/74/26/1019617426.db2.gz XIGSZOCDQFTSES-RXMQYKEDSA-N -1 0 305.337 -0.650 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001610102763 1019617700 /nfs/dbraw/zinc/61/77/00/1019617700.db2.gz PDONWEDEOLPHES-MGCOHNPYSA-N -1 0 321.399 -0.610 20 0 DBADRM CN(CC(=O)OCC(=O)NCCC(=O)[O-])[C@@H]1CCSC1 ZINC001610109948 1019618247 /nfs/dbraw/zinc/61/82/47/1019618247.db2.gz JDDRNMCRPJTCSS-SECBINFHSA-N -1 0 304.368 -0.442 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(CC(=O)C(C)(C)C(=O)[O-])c1 ZINC001610105034 1019618342 /nfs/dbraw/zinc/61/83/42/1019618342.db2.gz PPJPGPZHHLPDGZ-UHFFFAOYSA-N -1 0 303.340 -0.187 20 0 DBADRM CN(CC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])C(=O)OC(C)(C)C ZINC001610108890 1019618722 /nfs/dbraw/zinc/61/87/22/1019618722.db2.gz YEWJCRINRRKUOX-BDAKNGLRSA-N -1 0 302.327 -0.100 20 0 DBADRM C[C@H]1OCC[C@]12CN(CCS(=O)(=O)CC(=O)[O-])CCO2 ZINC001610100833 1019618804 /nfs/dbraw/zinc/61/88/04/1019618804.db2.gz LZJIWIDJQHJXQY-PWSUYJOCSA-N -1 0 307.368 -0.634 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)C[C@@H](O)C(F)(F)F ZINC001610114771 1019620191 /nfs/dbraw/zinc/62/01/91/1019620191.db2.gz XQXZEMBKFLYWCJ-ZCFIWIBFSA-N -1 0 308.278 -0.507 20 0 DBADRM CN(CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O)S(C)(=O)=O ZINC001610119020 1019620443 /nfs/dbraw/zinc/62/04/43/1019620443.db2.gz LTWWOTKVPVOXJJ-SNVBAGLBSA-N -1 0 307.328 -0.989 20 0 DBADRM CN(CCOCCO)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001610118590 1019620542 /nfs/dbraw/zinc/62/05/42/1019620542.db2.gz QHYRCVAZGLUHRH-QWRGUYRKSA-N -1 0 309.384 -0.100 20 0 DBADRM CN1CC[C@@H](N2C(=O)NC3(CCC(C(=O)[O-])CC3)C2=O)C1=O ZINC001610129814 1019622808 /nfs/dbraw/zinc/62/28/08/1019622808.db2.gz KCIHCSCUVNDOBM-ZYTOWTHASA-N -1 0 309.322 -0.218 20 0 DBADRM CN(Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(C)(C)CC(=O)[O-] ZINC001610126912 1019622846 /nfs/dbraw/zinc/62/28/46/1019622846.db2.gz ZUMASGCPBHZOKV-UHFFFAOYSA-N -1 0 323.353 -0.355 20 0 DBADRM CN1C(=O)CN(NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1=O ZINC001610128439 1019623080 /nfs/dbraw/zinc/62/30/80/1019623080.db2.gz WOKIUQNXYNSPGL-UHFFFAOYSA-N -1 0 320.261 -0.752 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CCC1=O ZINC001610132477 1019623208 /nfs/dbraw/zinc/62/32/08/1019623208.db2.gz GBKCZBMOQOZWPQ-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1C(=O)C[C@H](NS(=O)(=O)c2ccccc2C(=O)[O-])C1=O ZINC001610128204 1019623775 /nfs/dbraw/zinc/62/37/75/1019623775.db2.gz WTFQEOSGJLPTPM-QMMMGPOBSA-N -1 0 312.303 -0.580 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(=O)[O-])c2N)C1=O ZINC001610127139 1019623791 /nfs/dbraw/zinc/62/37/91/1019623791.db2.gz HYTPDFOGIIAIHG-UHFFFAOYSA-N -1 0 320.261 -0.674 20 0 DBADRM CN1CC[C@H](C(=O)NCc2ccc(C(=O)[O-])cn2)S1(=O)=O ZINC001610130167 1019624016 /nfs/dbraw/zinc/62/40/16/1019624016.db2.gz YWBWSQABBZBHDM-SNVBAGLBSA-N -1 0 313.335 -0.570 20 0 DBADRM CN1CCN(CC(=O)NCc2ccc(C(=O)[O-])cn2)CC1=O ZINC001610134289 1019624435 /nfs/dbraw/zinc/62/44/35/1019624435.db2.gz ICJXIYCRSKHXJD-UHFFFAOYSA-N -1 0 306.322 -0.830 20 0 DBADRM CN1C(=O)C[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCCC2)C1=O ZINC001610128027 1019624697 /nfs/dbraw/zinc/62/46/97/1019624697.db2.gz UWBGDMNLLVYYHX-MRVPVSSYSA-N -1 0 318.351 -0.692 20 0 DBADRM CN1C(=O)C[C@@H](NS(=O)(=O)c2ccccc2C(=O)[O-])C1=O ZINC001610128202 1019624734 /nfs/dbraw/zinc/62/47/34/1019624734.db2.gz WTFQEOSGJLPTPM-MRVPVSSYSA-N -1 0 312.303 -0.580 20 0 DBADRM CNC(=O)CCN(C)S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001610140353 1019629806 /nfs/dbraw/zinc/62/98/06/1019629806.db2.gz KRQYXAMDGLLVQJ-UHFFFAOYSA-N -1 0 315.351 -0.155 20 0 DBADRM CNC(=O)[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001610142233 1019630214 /nfs/dbraw/zinc/63/02/14/1019630214.db2.gz LSNVFZPJELCDCO-SECBINFHSA-N -1 0 316.335 -0.922 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)NCC2(C(=O)[O-])CC2)CC1 ZINC001610140507 1019630230 /nfs/dbraw/zinc/63/02/30/1019630230.db2.gz QDYQZLBLKMRPOQ-UHFFFAOYSA-N -1 0 312.370 -0.639 20 0 DBADRM CNC(=O)NCCC(=O)NCc1c(C)nn(CC(=O)[O-])c1C ZINC001610141142 1019631073 /nfs/dbraw/zinc/63/10/73/1019631073.db2.gz VIJUMJKPLSWJLR-UHFFFAOYSA-N -1 0 311.342 -0.480 20 0 DBADRM CNC(=O)NC(=O)CCN1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001610142052 1019631599 /nfs/dbraw/zinc/63/15/99/1019631599.db2.gz HMRFLLPFLAJYGA-BDAKNGLRSA-N -1 0 315.326 -0.830 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)CC[C@@H]1CCOC1 ZINC001610193651 1019647809 /nfs/dbraw/zinc/64/78/09/1019647809.db2.gz LCOQOBIJEUKAID-VHSXEESVSA-N -1 0 323.367 -0.261 20 0 DBADRM CNS(=O)(=O)NCC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001610147736 1019632742 /nfs/dbraw/zinc/63/27/42/1019632742.db2.gz TUTCKFUHSYKLQI-VIFPVBQESA-N -1 0 321.399 -0.610 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)CC[C@H]1CCOC1 ZINC001610150722 1019633086 /nfs/dbraw/zinc/63/30/86/1019633086.db2.gz JFHQLASKNYVQJV-RKDXNWHRSA-N -1 0 309.340 -0.651 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@H](CCOC)C(=O)[O-])co1 ZINC001610148477 1019633819 /nfs/dbraw/zinc/63/38/19/1019633819.db2.gz IVIOMXNACIMUBU-MRVPVSSYSA-N -1 0 320.323 -0.593 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)OCCCC(=O)C(=O)[O-])co1 ZINC001610148728 1019633835 /nfs/dbraw/zinc/63/38/35/1019633835.db2.gz ONACPLHBNMQBHY-UHFFFAOYSA-N -1 0 319.291 -0.222 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H]1CCCCS1(=O)=O ZINC001610151819 1019633998 /nfs/dbraw/zinc/63/39/98/1019633998.db2.gz FTOYEGZNIRSLDH-JGVFFNPUSA-N -1 0 307.324 -0.914 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001610146204 1019634496 /nfs/dbraw/zinc/63/44/96/1019634496.db2.gz MCZHIFXQCNIWAL-QMMMGPOBSA-N -1 0 318.273 -0.599 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc(Cn2cccn2)on1 ZINC001610153271 1019635596 /nfs/dbraw/zinc/63/55/96/1019635596.db2.gz PULSETMWTHBMII-SNVBAGLBSA-N -1 0 322.277 -0.335 20 0 DBADRM CC[C@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)[O-] ZINC001610152392 1019635795 /nfs/dbraw/zinc/63/57/95/1019635795.db2.gz UYIARPWZYDWPHW-VIFPVBQESA-N -1 0 314.319 -0.110 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)Cn1cnc2c1CCCC2 ZINC001610154157 1019635916 /nfs/dbraw/zinc/63/59/16/1019635916.db2.gz UZUPGIUWXRPZRT-SNVBAGLBSA-N -1 0 309.322 -0.106 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CCNC(=O)c1ccco1 ZINC001610153068 1019636346 /nfs/dbraw/zinc/63/63/46/1019636346.db2.gz NKYGNFDNCXGBHJ-QMMMGPOBSA-N -1 0 312.278 -0.468 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC001610152708 1019636630 /nfs/dbraw/zinc/63/66/30/1019636630.db2.gz KBHDPYIXHILCGV-BBBLOLIVSA-N -1 0 323.367 -0.311 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc(OC(F)F)n(C)n1 ZINC001610154236 1019636717 /nfs/dbraw/zinc/63/67/17/1019636717.db2.gz VOOVLIZLURJLJD-LURJTMIESA-N -1 0 321.236 -0.232 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001610152199 1019636922 /nfs/dbraw/zinc/63/69/22/1019636922.db2.gz HRXPJYUGHAXFQM-WPRPVWTQSA-N -1 0 323.367 -0.717 20 0 DBADRM COC(=O)[C@H](O)C1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC001610156449 1019637147 /nfs/dbraw/zinc/63/71/47/1019637147.db2.gz SQQQLPBYAAPSNE-WCBMZHEXSA-N -1 0 323.367 -0.717 20 0 DBADRM COC(=O)[C@H](Cn1ccnc1)NC(=O)c1cncc(C(=O)[O-])c1 ZINC001610153310 1019637236 /nfs/dbraw/zinc/63/72/36/1019637236.db2.gz HQUHCIHMTDZAHS-NSHDSACASA-N -1 0 318.289 -0.052 20 0 DBADRM CC[C@@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)[O-] ZINC001610152390 1019637268 /nfs/dbraw/zinc/63/72/68/1019637268.db2.gz UYIARPWZYDWPHW-SECBINFHSA-N -1 0 314.319 -0.110 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001610165566 1019638520 /nfs/dbraw/zinc/63/85/20/1019638520.db2.gz LBMHBVWCUZHIPI-AEJSXWLSSA-N -1 0 323.367 -0.311 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@@H](C(=O)[O-])C1 ZINC001610168375 1019638696 /nfs/dbraw/zinc/63/86/96/1019638696.db2.gz HLGXYKHIKBSULR-WDEREUQCSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cc1ccnn1C ZINC001610166951 1019638900 /nfs/dbraw/zinc/63/89/00/1019638900.db2.gz CUDBRJRGTOYMRQ-KOLCDFICSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)NCC(F)F)[C@H](C(=O)[O-])C1 ZINC001610166531 1019639512 /nfs/dbraw/zinc/63/95/12/1019639512.db2.gz ILXQGHDHJQJPIQ-BQBZGAKWSA-N -1 0 322.264 -0.768 20 0 DBADRM COC[C@@](C)(O)CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001610242979 1019655298 /nfs/dbraw/zinc/65/52/98/1019655298.db2.gz GBDIMYFMFOXMOP-VIFPVBQESA-N -1 0 310.353 -0.483 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)CCCCCC(=O)[O-])CCO1 ZINC001610180328 1019641639 /nfs/dbraw/zinc/64/16/39/1019641639.db2.gz WDXCDVUKYKOTCV-SNVBAGLBSA-N -1 0 323.367 -0.165 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CC1OCCO1 ZINC001610177491 1019641695 /nfs/dbraw/zinc/64/16/95/1019641695.db2.gz VNUXDPSPXHXTBI-BDAKNGLRSA-N -1 0 301.295 -0.386 20 0 DBADRM COC(=O)C[C@]1(NS(=O)(=O)C[C@H](C)C(=O)[O-])CCOC1 ZINC001610177776 1019641746 /nfs/dbraw/zinc/64/17/46/1019641746.db2.gz JAIPINCVBVYQCS-GZMMTYOYSA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1 ZINC001610178885 1019641810 /nfs/dbraw/zinc/64/18/10/1019641810.db2.gz SWJGDVVSIYYWER-JZYVYDRUSA-N -1 0 317.363 -0.078 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCN(C)C1=O ZINC001610179133 1019641960 /nfs/dbraw/zinc/64/19/60/1019641960.db2.gz YUGVYVXDMNKBTJ-AEJSXWLSSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)C[C@H](NC(=O)COCc1ncc(C)o1)C(=O)[O-] ZINC001610181806 1019642361 /nfs/dbraw/zinc/64/23/61/1019642361.db2.gz ZLVHAVNLJABZNU-QMMMGPOBSA-N -1 0 300.267 -0.368 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cc(Cn2cccn2)on1)C(=O)[O-] ZINC001610176709 1019642510 /nfs/dbraw/zinc/64/25/10/1019642510.db2.gz AWNRDSBKBGAIEE-SNVBAGLBSA-N -1 0 322.277 -0.335 20 0 DBADRM COC(=O)C[C@@H]1CSCCN1Cc1cn(CC(=O)[O-])nn1 ZINC001610180015 1019642693 /nfs/dbraw/zinc/64/26/93/1019642693.db2.gz FBAXEIWPNUTEDG-SNVBAGLBSA-N -1 0 314.367 -0.157 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001610182748 1019644779 /nfs/dbraw/zinc/64/47/79/1019644779.db2.gz AOKPTCWFODPBJV-AWEZNQCLSA-N -1 0 314.338 -0.231 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1nccn2ccnc12)C(=O)[O-] ZINC001610182735 1019644790 /nfs/dbraw/zinc/64/47/90/1019644790.db2.gz LRLZZWFSVRVSAZ-MRVPVSSYSA-N -1 0 306.278 -0.135 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001610185177 1019645141 /nfs/dbraw/zinc/64/51/41/1019645141.db2.gz NEGZVIVQEYOKMT-UHFFFAOYSA-N -1 0 308.250 -0.637 20 0 DBADRM COC(=O)NCC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001610187096 1019647139 /nfs/dbraw/zinc/64/71/39/1019647139.db2.gz FMPWLXWZLLLMLZ-JGVFFNPUSA-N -1 0 302.283 -0.793 20 0 DBADRM COC(=O)NCC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001610187102 1019647155 /nfs/dbraw/zinc/64/71/55/1019647155.db2.gz FMPWLXWZLLLMLZ-SFYZADRCSA-N -1 0 302.283 -0.793 20 0 DBADRM COC(=O)NCCNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001610186957 1019647459 /nfs/dbraw/zinc/64/74/59/1019647459.db2.gz CWKLSVMPMKANFD-RKDXNWHRSA-N -1 0 308.356 -0.095 20 0 DBADRM COC(=O)N1CC(NS(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001610188771 1019647783 /nfs/dbraw/zinc/64/77/83/1019647783.db2.gz UEXZDTQKVLYBBE-UHFFFAOYSA-N -1 0 321.336 -0.430 20 0 DBADRM COC(=O)[C@H](C)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001610190579 1019647962 /nfs/dbraw/zinc/64/79/62/1019647962.db2.gz NHAJBEHTQHXKNA-ZETCQYMHSA-N -1 0 302.308 -0.072 20 0 DBADRM COC(=O)NCC(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001610187089 1019648177 /nfs/dbraw/zinc/64/81/77/1019648177.db2.gz FMPWLXWZLLLMLZ-HTQZYQBOSA-N -1 0 302.283 -0.793 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)C1 ZINC001610192294 1019648362 /nfs/dbraw/zinc/64/83/62/1019648362.db2.gz NRFOCQHTSHNQDC-GARJFASQSA-N -1 0 313.354 -0.404 20 0 DBADRM COC(=O)NCCNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001610186955 1019648602 /nfs/dbraw/zinc/64/86/02/1019648602.db2.gz CWKLSVMPMKANFD-IUCAKERBSA-N -1 0 308.356 -0.095 20 0 DBADRM COC(=O)Cn1ncc(NS(=O)(=O)CCC(=O)[O-])c1C ZINC001610188001 1019648647 /nfs/dbraw/zinc/64/86/47/1019648647.db2.gz XEBAFBFNHKODJC-UHFFFAOYSA-N -1 0 305.312 -0.419 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001610190210 1019648916 /nfs/dbraw/zinc/64/89/16/1019648916.db2.gz JQCFBAZIXQGMTL-XHNCKOQMSA-N -1 0 316.310 -0.404 20 0 DBADRM COC[C@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)OC ZINC001610247762 1019658557 /nfs/dbraw/zinc/65/85/57/1019658557.db2.gz GWVQSRLIUOPXTK-ZETCQYMHSA-N -1 0 323.348 -0.087 20 0 DBADRM COC(=O)c1ccccc1NC(=O)CN1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC001610220168 1019649934 /nfs/dbraw/zinc/64/99/34/1019649934.db2.gz TZTFWOWJKWXQLJ-CABZTGNLSA-N -1 0 322.317 -0.069 20 0 DBADRM COC(=O)c1cn(C2CN(c3nc(C)cc(C(=O)[O-])n3)C2)nn1 ZINC001610218176 1019650319 /nfs/dbraw/zinc/65/03/19/1019650319.db2.gz POMVYBHVLHEULM-UHFFFAOYSA-N -1 0 318.293 -0.077 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-])c1 ZINC001610222521 1019650535 /nfs/dbraw/zinc/65/05/35/1019650535.db2.gz LIMJQBKTALPORJ-QMMMGPOBSA-N -1 0 321.307 -0.431 20 0 DBADRM COC(=O)c1cn(CCSC[C@H](NC(C)=O)C(=O)[O-])nn1 ZINC001610217926 1019650959 /nfs/dbraw/zinc/65/09/59/1019650959.db2.gz LVSBPJCREIKESK-VIFPVBQESA-N -1 0 316.339 -0.613 20 0 DBADRM COC(CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@H](C)C1)OC ZINC001610223822 1019651485 /nfs/dbraw/zinc/65/14/85/1019651485.db2.gz DDUFFNULLHYWTC-JTQLQIEISA-N -1 0 324.399 -0.031 20 0 DBADRM CO[C@@H]1CCN(C(=O)COCc2nncn2C)[C@@H](C(=O)[O-])C1 ZINC001610237169 1019652532 /nfs/dbraw/zinc/65/25/32/1019652532.db2.gz MOIUPYMYXUDQHI-NXEZZACHSA-N -1 0 312.326 -0.578 20 0 DBADRM CO[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@H](C(=O)[O-])C1 ZINC001610239400 1019653266 /nfs/dbraw/zinc/65/32/66/1019653266.db2.gz PRYLUFFFCMGBSQ-UWVGGRQHSA-N -1 0 322.383 -0.642 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)c2ccnn2C)[C@H](C(=O)[O-])C1 ZINC001610239053 1019653506 /nfs/dbraw/zinc/65/35/06/1019653506.db2.gz DAPDWESHNFEZIN-IUCAKERBSA-N -1 0 303.340 -0.327 20 0 DBADRM CO[C@H]1CC(=O)N(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001610235751 1019653739 /nfs/dbraw/zinc/65/37/39/1019653739.db2.gz NGZYAHIMYZQZIY-MNOVXSKESA-N -1 0 323.353 -0.182 20 0 DBADRM COC(CN(CCC(=O)[O-])C[C@H]1CCS(=O)(=O)C1)OC ZINC001610224892 1019653773 /nfs/dbraw/zinc/65/37/73/1019653773.db2.gz ZHJDJSNPNOBFKH-SNVBAGLBSA-N -1 0 309.384 -0.183 20 0 DBADRM CO[C@H]1CCN(C(=O)COCc2nncn2C)[C@@H](C(=O)[O-])C1 ZINC001610237171 1019653975 /nfs/dbraw/zinc/65/39/75/1019653975.db2.gz MOIUPYMYXUDQHI-VHSXEESVSA-N -1 0 312.326 -0.578 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])C1CC1 ZINC001610230144 1019654107 /nfs/dbraw/zinc/65/41/07/1019654107.db2.gz VEQLHZINMZVZHB-ZJUUUORDSA-N -1 0 320.367 -0.984 20 0 DBADRM COC[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)C(N)=O ZINC001610246520 1019655422 /nfs/dbraw/zinc/65/54/22/1019655422.db2.gz OYDGKNUQQQUPON-NSHDSACASA-N -1 0 319.317 -0.044 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)Cc1nc2ncccn2n1 ZINC001610241336 1019655493 /nfs/dbraw/zinc/65/54/93/1019655493.db2.gz IPCVBPJSXPBMOJ-CYBMUJFWSA-N -1 0 307.310 -0.337 20 0 DBADRM COC[C@@](C)(NC(=O)CCn1c(C)cc(O)cc1=O)C(=O)[O-] ZINC001610244781 1019656107 /nfs/dbraw/zinc/65/61/07/1019656107.db2.gz SHZCJXGXHADTNI-CQSZACIVSA-N -1 0 312.322 -0.142 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001610246026 1019656133 /nfs/dbraw/zinc/65/61/33/1019656133.db2.gz XQLLXTRPZHDOOQ-QMMMGPOBSA-N -1 0 314.269 -0.414 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001610246591 1019656207 /nfs/dbraw/zinc/65/62/07/1019656207.db2.gz DGNBTSNWWGAXHK-GUBZILKMSA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@@H](CO)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001610245357 1019656302 /nfs/dbraw/zinc/65/63/02/1019656302.db2.gz QHXKIUFJSAZTED-LLVKDONJSA-N -1 0 310.306 -0.624 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)[C@H](C)C(=O)N(C)C ZINC001610243526 1019657012 /nfs/dbraw/zinc/65/70/12/1019657012.db2.gz NZGSAHMZZMIKQF-LDYMZIIASA-N -1 0 310.372 -0.738 20 0 DBADRM COC[C@@H](OC(=O)CN(C)C(=O)[C@H](C)n1cccn1)C(=O)[O-] ZINC001610247222 1019658548 /nfs/dbraw/zinc/65/85/48/1019658548.db2.gz BWUJBBXKRTVPLX-VHSXEESVSA-N -1 0 313.310 -0.455 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cccc(F)c1C(=O)[O-])C(N)=O ZINC001610249118 1019658509 /nfs/dbraw/zinc/65/85/09/1019658509.db2.gz OSPWSUWEYMQVHZ-SSDOTTSWSA-N -1 0 320.298 -0.698 20 0 DBADRM COC[C@]1(C)NC(=O)N(Cc2noc(CCC(=O)[O-])n2)C1=O ZINC001610251126 1019658918 /nfs/dbraw/zinc/65/89/18/1019658918.db2.gz PWXKYEJDYFSKAW-LBPRGKRZSA-N -1 0 312.282 -0.456 20 0 DBADRM COC[C@@H](NC(=O)c1cnc2c(c1)NC(=O)CS2)C(=O)[O-] ZINC001610248849 1019659157 /nfs/dbraw/zinc/65/91/57/1019659157.db2.gz LHAPZWKTBWEYPM-MRVPVSSYSA-N -1 0 311.319 -0.045 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001610247747 1019659316 /nfs/dbraw/zinc/65/93/16/1019659316.db2.gz SPOYVCPQOPXCOS-GUBZILKMSA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@H](CCO)NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001610246827 1019660046 /nfs/dbraw/zinc/66/00/46/1019660046.db2.gz GXWYLVSAXAWRDB-QMMMGPOBSA-N -1 0 307.324 -0.038 20 0 DBADRM COC[C@H](NC(=O)Cn1c(C)nc2ccccc2c1=O)C(=O)[O-] ZINC001610246971 1019660198 /nfs/dbraw/zinc/66/01/98/1019660198.db2.gz ZAPWMJDNZDNVAQ-LBPRGKRZSA-N -1 0 319.317 -0.079 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)C(N)=O ZINC001610250593 1019660246 /nfs/dbraw/zinc/66/02/46/1019660246.db2.gz WEYRXBKPBBYCJX-JTQLQIEISA-N -1 0 316.335 -0.908 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001506006084 1019660684 /nfs/dbraw/zinc/66/06/84/1019660684.db2.gz OSSCELBSXZVUJL-PSASIEDQSA-N -1 0 312.374 -0.639 20 0 DBADRM COCCCOCC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001610257193 1019661624 /nfs/dbraw/zinc/66/16/24/1019661624.db2.gz BJKSHWJPSSENAH-MNOVXSKESA-N -1 0 317.338 -0.096 20 0 DBADRM COCCN(CCO)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001610260441 1019661653 /nfs/dbraw/zinc/66/16/53/1019661653.db2.gz YKNPSPWSYKJHRI-QWRGUYRKSA-N -1 0 309.384 -0.100 20 0 DBADRM COCC[C@](C)(O)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001610253077 1019662022 /nfs/dbraw/zinc/66/20/22/1019662022.db2.gz NYFCIOFXPGWYCO-LBPRGKRZSA-N -1 0 318.351 -0.154 20 0 DBADRM COCCN(CCO)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001610260442 1019662124 /nfs/dbraw/zinc/66/21/24/1019662124.db2.gz YKNPSPWSYKJHRI-WDEREUQCSA-N -1 0 309.384 -0.100 20 0 DBADRM COCCN1C[C@@H](C(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)CC1=O ZINC001610260676 1019662207 /nfs/dbraw/zinc/66/22/07/1019662207.db2.gz HLLJHALEUHBRTQ-VIFPVBQESA-N -1 0 323.305 -0.081 20 0 DBADRM COCCCS(=O)(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001610256905 1019662259 /nfs/dbraw/zinc/66/22/59/1019662259.db2.gz JXSXFKBREYNOQO-ZJUUUORDSA-N -1 0 323.367 -0.309 20 0 DBADRM COCCOc1ncccc1C(=O)NCC(=O)NCC(=O)[O-] ZINC001610264051 1019663816 /nfs/dbraw/zinc/66/38/16/1019663816.db2.gz SBFKIACXUKKPSS-UHFFFAOYSA-N -1 0 311.294 -0.963 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC001610264304 1019663963 /nfs/dbraw/zinc/66/39/63/1019663963.db2.gz WZPHLDBSSVETQP-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM COCCOCC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001610263094 1019664374 /nfs/dbraw/zinc/66/43/74/1019664374.db2.gz DSOOHPSQSJVWQC-ZJUUUORDSA-N -1 0 303.311 -0.486 20 0 DBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)NCC1(C(=O)[O-])CC1 ZINC001610263487 1019665189 /nfs/dbraw/zinc/66/51/89/1019665189.db2.gz MMULRRRZWFPULY-WDEREUQCSA-N -1 0 316.354 -0.029 20 0 DBADRM COCn1nccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001610275871 1019666668 /nfs/dbraw/zinc/66/66/68/1019666668.db2.gz XBJXQIGWCZDMBA-RKDXNWHRSA-N -1 0 303.340 -0.029 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NCCNC(C)=O ZINC001610282551 1019666686 /nfs/dbraw/zinc/66/66/86/1019666686.db2.gz IEYRVZKIPQCHLV-UHFFFAOYSA-N -1 0 323.305 -0.416 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N[C@H](C)CC(N)=O ZINC001610282514 1019666760 /nfs/dbraw/zinc/66/67/60/1019666760.db2.gz HUEMPWPAVYIAIK-SSDOTTSWSA-N -1 0 323.305 -0.288 20 0 DBADRM COCn1nccc1S(=O)(=O)N[C@](C)(COC)CC(=O)[O-] ZINC001610274265 1019667171 /nfs/dbraw/zinc/66/71/71/1019667171.db2.gz ALPLUHSTAXOELQ-NSHDSACASA-N -1 0 321.355 -0.355 20 0 DBADRM COc1cc(NC(=O)C(=O)NCc2cn[nH]n2)ccc1C(=O)[O-] ZINC001610299204 1019667824 /nfs/dbraw/zinc/66/78/24/1019667824.db2.gz SQCLBXNNGDBYAF-UHFFFAOYSA-N -1 0 319.277 -0.234 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@H](O)C2)ccc1C(=O)[O-] ZINC001610299818 1019668397 /nfs/dbraw/zinc/66/83/97/1019668397.db2.gz LLMSLGCXXKEJRD-VIFPVBQESA-N -1 0 308.290 -0.075 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001610276331 1019668533 /nfs/dbraw/zinc/66/85/33/1019668533.db2.gz YCELITZXOQHJJR-UHFFFAOYSA-N -1 0 316.335 -0.176 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CCNC(=O)C2)c(C(=O)[O-])c1 ZINC001610340378 1019669690 /nfs/dbraw/zinc/66/96/90/1019669690.db2.gz MVHLOXPEIRHLMG-UHFFFAOYSA-N -1 0 321.289 -0.710 20 0 DBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)CCC(=O)[O-])CC1 ZINC001610330937 1019669963 /nfs/dbraw/zinc/66/99/63/1019669963.db2.gz NBOALNHJEZOGPQ-UHFFFAOYSA-N -1 0 314.338 -0.231 20 0 DBADRM COc1ccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)c(C(=O)[O-])c1 ZINC001610339901 1019671401 /nfs/dbraw/zinc/67/14/01/1019671401.db2.gz DAKJTJQUHSGFMS-SSDOTTSWSA-N -1 0 321.289 -0.663 20 0 DBADRM CCOC(=O)C1(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC001610314116 1019671421 /nfs/dbraw/zinc/67/14/21/1019671421.db2.gz AJBBRINUGDZJDO-SECBINFHSA-N -1 0 300.311 -0.175 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001610365413 1019671587 /nfs/dbraw/zinc/67/15/87/1019671587.db2.gz ZDXFFAZCGAJJGQ-NSHDSACASA-N -1 0 322.317 -0.263 20 0 DBADRM COc1ccc(CNC(=O)[C@H](CO)NC(N)=O)cc1C(=O)[O-] ZINC001610332701 1019671718 /nfs/dbraw/zinc/67/17/18/1019671718.db2.gz IEIJXVMAOAFZIS-VIFPVBQESA-N -1 0 311.294 -0.961 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)c1 ZINC001610317823 1019671903 /nfs/dbraw/zinc/67/19/03/1019671903.db2.gz UUPOSIBMRNHSDJ-ZETCQYMHSA-N -1 0 321.289 -0.663 20 0 DBADRM COc1ccc(S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-])cn1 ZINC001610345928 1019671936 /nfs/dbraw/zinc/67/19/36/1019671936.db2.gz HEGKPNQQHVZSRX-VIFPVBQESA-N -1 0 304.324 -0.407 20 0 DBADRM COc1ccc([C@@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)[O-])cc1O ZINC001610319676 1019672000 /nfs/dbraw/zinc/67/20/00/1019672000.db2.gz FYLZIPHRTNQNOR-QPUJVOFHSA-N -1 0 308.290 -0.079 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001610376173 1019673377 /nfs/dbraw/zinc/67/33/77/1019673377.db2.gz YCGUKZWSKVAGHM-QMMMGPOBSA-N -1 0 315.351 -0.276 20 0 DBADRM COc1ncccc1NC(=O)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001610371190 1019673692 /nfs/dbraw/zinc/67/36/92/1019673692.db2.gz QFRHJZWYGYPUCG-UHFFFAOYSA-N -1 0 323.305 -0.533 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)c2ccoc2CC(=O)[O-])C1 ZINC001610375430 1019673747 /nfs/dbraw/zinc/67/37/47/1019673747.db2.gz MZHUYFTYSTZNSC-UHFFFAOYSA-N -1 0 316.335 -0.283 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001610375289 1019673973 /nfs/dbraw/zinc/67/39/73/1019673973.db2.gz KCYZPMGJPOQQGO-SECBINFHSA-N -1 0 306.365 -0.071 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)CC1 ZINC001610375371 1019674210 /nfs/dbraw/zinc/67/42/10/1019674210.db2.gz INGQTOSDDGZLDQ-LBPRGKRZSA-N -1 0 322.358 -0.317 20 0 DBADRM COc1ccnc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1 ZINC001610370020 1019674239 /nfs/dbraw/zinc/67/42/39/1019674239.db2.gz WQGPFNUJGZNKGA-NSHDSACASA-N -1 0 307.306 -0.104 20 0 DBADRM CS(=O)(=O)CC1CCN(CCC(=O)NCC(=O)[O-])CC1 ZINC001610373176 1019674263 /nfs/dbraw/zinc/67/42/63/1019674263.db2.gz ZCUDZPLIDJJOLO-UHFFFAOYSA-N -1 0 306.384 -0.666 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=S)NCCCC(=O)[O-])C1 ZINC001610377357 1019675877 /nfs/dbraw/zinc/67/58/77/1019675877.db2.gz XOAIJUWYRSEOPU-VIFPVBQESA-N -1 0 323.440 -0.261 20 0 DBADRM CS[C@H](C)CNC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001610380556 1019676065 /nfs/dbraw/zinc/67/60/65/1019676065.db2.gz OSXLJFZRZUUTEH-SCZZXKLOSA-N -1 0 318.395 -0.462 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=S)NCCCC(=O)[O-])CC1 ZINC001610377341 1019677452 /nfs/dbraw/zinc/67/74/52/1019677452.db2.gz VVZPBOODOUNXKX-UHFFFAOYSA-N -1 0 323.440 -0.307 20 0 DBADRM C[C@@H]1CN(C(=O)CCC[C@@]2(C)NC(=O)NC2=O)C[C@H]1C(=O)[O-] ZINC001610393104 1019677532 /nfs/dbraw/zinc/67/75/32/1019677532.db2.gz WJPQPPHOHNOZAZ-RFXMVYNHSA-N -1 0 311.338 -0.066 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1c[nH]nc1C(=O)[O-] ZINC001610403593 1019679070 /nfs/dbraw/zinc/67/90/70/1019679070.db2.gz FHSJPTINMYNATG-UHFFFAOYSA-N -1 0 316.277 -0.066 20 0 DBADRM Cc1c(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)nn2c1OCCC2 ZINC001610405244 1019679533 /nfs/dbraw/zinc/67/95/33/1019679533.db2.gz CZNCQJYWHYRIGU-VHSXEESVSA-N -1 0 309.322 -0.118 20 0 DBADRM Cc1c([C@@H](C)NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cnn1C ZINC001610411030 1019679630 /nfs/dbraw/zinc/67/96/30/1019679630.db2.gz KCPCYINKPXZMSZ-LDYMZIIASA-N -1 0 324.337 -0.782 20 0 DBADRM C[C@H](NC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O)C(=O)[O-] ZINC001610394342 1019679673 /nfs/dbraw/zinc/67/96/73/1019679673.db2.gz LDBHANNGZPWLLY-BJOHPYRUSA-N -1 0 306.318 -0.017 20 0 DBADRM Cc1c(NC(=O)[C@@H]2CCS(=O)(=O)C2)cnn1CC(=O)[O-] ZINC001610422132 1019679721 /nfs/dbraw/zinc/67/97/21/1019679721.db2.gz LCOYDNLUXLOFMP-MRVPVSSYSA-N -1 0 301.324 -0.351 20 0 DBADRM C[C@H](NC(N)=O)C(=O)NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001610395165 1019679749 /nfs/dbraw/zinc/67/97/49/1019679749.db2.gz WESWIZZZCHZWRW-LURJTMIESA-N -1 0 305.294 -0.066 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@@H](O)C2(C)C)cnn1CC(=O)[O-] ZINC001610421376 1019679999 /nfs/dbraw/zinc/67/99/99/1019679999.db2.gz QBGLKADGGVEMQM-SNVBAGLBSA-N -1 0 324.337 -0.414 20 0 DBADRM C[C@H]1C[C@@H](O)CN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1 ZINC001610396432 1019680318 /nfs/dbraw/zinc/68/03/18/1019680318.db2.gz CYDIIINTCJKVTJ-WCBMZHEXSA-N -1 0 309.322 -0.109 20 0 DBADRM C[C@H]1CN(Cc2nc3c(cnn3C)c(=O)[nH]2)C[C@@H](C(=O)[O-])O1 ZINC001610396130 1019680731 /nfs/dbraw/zinc/68/07/31/1019680731.db2.gz ZELKUWZONVWSQW-CBAPKCEASA-N -1 0 307.310 -0.257 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)c(C(=O)[O-])[nH]1 ZINC001610470203 1019682114 /nfs/dbraw/zinc/68/21/14/1019682114.db2.gz DVCZNNKSCBAIIO-SSDOTTSWSA-N -1 0 308.294 -0.693 20 0 DBADRM Cc1cc(C)nc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC001610457741 1019682331 /nfs/dbraw/zinc/68/23/31/1019682331.db2.gz SKXGVTQOGYJFQN-JTQLQIEISA-N -1 0 307.306 -0.051 20 0 DBADRM Cc1cc(NC(=O)N2CC[C@H](S(N)(=O)=O)C2)c(C(=O)[O-])[nH]1 ZINC001610472691 1019682866 /nfs/dbraw/zinc/68/28/66/1019682866.db2.gz OQTSCMLCFBDHCJ-ZETCQYMHSA-N -1 0 316.339 -0.084 20 0 DBADRM Cc1cc(NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)c(C(=O)[O-])[nH]1 ZINC001610472690 1019684296 /nfs/dbraw/zinc/68/42/96/1019684296.db2.gz OQTSCMLCFBDHCJ-SSDOTTSWSA-N -1 0 316.339 -0.084 20 0 DBADRM CCc1cnccc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001610437788 1019684394 /nfs/dbraw/zinc/68/43/94/1019684394.db2.gz FLFPZPNXSZQFBA-NSHDSACASA-N -1 0 312.347 -0.032 20 0 DBADRM Cc1cnc(COCC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)o1 ZINC001610539668 1019685710 /nfs/dbraw/zinc/68/57/10/1019685710.db2.gz MPAZBJPWCCBOPW-UHFFFAOYSA-N -1 0 321.293 -0.127 20 0 DBADRM Cc1ncoc1CN(C)[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001506045784 1019686320 /nfs/dbraw/zinc/68/63/20/1019686320.db2.gz DHRQOANHIBGFSY-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM Cc1ccc(C(=O)O[C@@H](C)C(=O)C(=O)[O-])cc1S(N)(=O)=O ZINC001610491999 1019686323 /nfs/dbraw/zinc/68/63/23/1019686323.db2.gz MEXYDYVYSMJDMV-ZETCQYMHSA-N -1 0 315.303 -0.159 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NN2CC(=O)NC2=O)cc1C(=O)[O-] ZINC001610505736 1019687175 /nfs/dbraw/zinc/68/71/75/1019687175.db2.gz DZLXBHATVXGBHT-UHFFFAOYSA-N -1 0 320.261 -0.785 20 0 DBADRM Cc1ncc(S(=O)(=O)N(CCO)CCO)cc1C(=O)[O-] ZINC001610563066 1019687868 /nfs/dbraw/zinc/68/78/68/1019687868.db2.gz MAUFGWNPFCJBSU-UHFFFAOYSA-N -1 0 304.324 -0.936 20 0 DBADRM Cc1ncc(S(=O)(=O)NCc2cnn(C)n2)cc1C(=O)[O-] ZINC001610564034 1019688536 /nfs/dbraw/zinc/68/85/36/1019688536.db2.gz XBLNCDLBDPCILG-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cn1C ZINC001610560338 1019689296 /nfs/dbraw/zinc/68/92/96/1019689296.db2.gz GVGBROGSPOJHHT-SCZZXKLOSA-N -1 0 303.340 -0.673 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cn1C ZINC001610560342 1019689650 /nfs/dbraw/zinc/68/96/50/1019689650.db2.gz GVGBROGSPOJHHT-WCBMZHEXSA-N -1 0 303.340 -0.673 20 0 DBADRM Cc1nc(=NS(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)n(C)[nH]1 ZINC001610558502 1019690362 /nfs/dbraw/zinc/69/03/62/1019690362.db2.gz KRWYMAVGDZGJAH-UHFFFAOYSA-N -1 0 311.323 -0.252 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNS(=O)(=O)C1COC1 ZINC001610570008 1019691606 /nfs/dbraw/zinc/69/16/06/1019691606.db2.gz JOJIZLOKWUJSGF-UHFFFAOYSA-N -1 0 303.340 -0.597 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])n1 ZINC001610575875 1019691638 /nfs/dbraw/zinc/69/16/38/1019691638.db2.gz FDYNCWJHWWDYDO-VIFPVBQESA-N -1 0 310.310 -0.498 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N2CC[C@H](CO)C2)cc1C(=O)[O-] ZINC001610583639 1019692501 /nfs/dbraw/zinc/69/25/01/1019692501.db2.gz OYRPFDCGIODHEO-VIFPVBQESA-N -1 0 310.306 -0.257 20 0 DBADRM Cc1nnc(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])o1 ZINC001610571608 1019692712 /nfs/dbraw/zinc/69/27/12/1019692712.db2.gz KUJUPEODGZSPGT-UHFFFAOYSA-N -1 0 312.326 -0.834 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001610577226 1019693012 /nfs/dbraw/zinc/69/30/12/1019693012.db2.gz MBYATQJVLWGLDO-JTQLQIEISA-N -1 0 317.367 -0.072 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC001610569460 1019693120 /nfs/dbraw/zinc/69/31/20/1019693120.db2.gz YDIIXJKVYWCBOL-MRVPVSSYSA-N -1 0 311.294 -0.648 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)Nc2c(C(=O)[O-])cnn2C)cn1 ZINC001610601949 1019694202 /nfs/dbraw/zinc/69/42/02/1019694202.db2.gz PHYPMENELXVWAK-SECBINFHSA-N -1 0 308.298 -0.293 20 0 DBADRM Cn1c(=O)ccn(CC(=O)OCc2ccc(C(=O)[O-])o2)c1=O ZINC001610595309 1019694261 /nfs/dbraw/zinc/69/42/61/1019694261.db2.gz IADFJHHMCPPADY-UHFFFAOYSA-N -1 0 308.246 -0.418 20 0 DBADRM Cn1cc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001610599181 1019694277 /nfs/dbraw/zinc/69/42/77/1019694277.db2.gz ILUNOPHZUIGNBG-SNVBAGLBSA-N -1 0 309.322 -0.447 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCC3(C(=O)[O-])CC3)cnc21 ZINC001610594208 1019695207 /nfs/dbraw/zinc/69/52/07/1019695207.db2.gz KCGFAYAXBBKNNZ-UHFFFAOYSA-N -1 0 318.289 -0.371 20 0 DBADRM Cn1cc(C(=O)NC2(CC(=O)[O-])CCOCC2)c(=O)[nH]c1=O ZINC001610600235 1019695328 /nfs/dbraw/zinc/69/53/28/1019695328.db2.gz AUAOYGWEZXCKRU-UHFFFAOYSA-N -1 0 311.294 -0.760 20 0 DBADRM Cc1ocnc1CNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001610588303 1019695660 /nfs/dbraw/zinc/69/56/60/1019695660.db2.gz BPFWVSUBEMETMY-VIFPVBQESA-N -1 0 311.294 -0.699 20 0 DBADRM Cn1cc2c(n1)CCC[C@@H]2C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001610607040 1019697459 /nfs/dbraw/zinc/69/74/59/1019697459.db2.gz DDEVWLKKFRRNSP-JOYOIKCWSA-N -1 0 320.349 -0.358 20 0 DBADRM Cn1ccc(=O)n(CCCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1=O ZINC001610607216 1019697590 /nfs/dbraw/zinc/69/75/90/1019697590.db2.gz OGBJALNXFDWBGU-WDEREUQCSA-N -1 0 323.349 -0.446 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)cn1 ZINC001610603957 1019697671 /nfs/dbraw/zinc/69/76/71/1019697671.db2.gz WWRNLLNBBGWSLA-STQMWFEESA-N -1 0 319.317 -0.029 20 0 DBADRM Cn1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)n1 ZINC001610608655 1019697850 /nfs/dbraw/zinc/69/78/50/1019697850.db2.gz RMAJQOVJYNUINC-UHFFFAOYSA-N -1 0 310.310 -0.644 20 0 DBADRM Cn1ccnc1CNC(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001610610620 1019698240 /nfs/dbraw/zinc/69/82/40/1019698240.db2.gz ZISFWTBNJYQWCI-UHFFFAOYSA-N -1 0 308.338 -0.250 20 0 DBADRM Cn1cc2c(n1)CCC[C@H]2C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001610607038 1019698377 /nfs/dbraw/zinc/69/83/77/1019698377.db2.gz DDEVWLKKFRRNSP-BXKDBHETSA-N -1 0 320.349 -0.358 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC(C(N)=O)CC2)cc1C(=O)[O-] ZINC001610604222 1019698492 /nfs/dbraw/zinc/69/84/92/1019698492.db2.gz FKPVJOVVESAJPJ-UHFFFAOYSA-N -1 0 322.321 -0.614 20 0 DBADRM Cn1nc(S(C)(=O)=O)c2c1ncn(CCCC(=O)[O-])c2=O ZINC001610612278 1019699579 /nfs/dbraw/zinc/69/95/79/1019699579.db2.gz CMTYKRWJEPOKQV-UHFFFAOYSA-N -1 0 314.323 -0.602 20 0 DBADRM Cn1ncc(CCCNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001610614587 1019699838 /nfs/dbraw/zinc/69/98/38/1019699838.db2.gz UYVLEADOIPJCGW-GXSJLCMTSA-N -1 0 311.342 -0.775 20 0 DBADRM Cn1ncc2c1nc(CN1CCC[C@H](O)[C@@H]1C(=O)[O-])[nH]c2=O ZINC001610615108 1019700107 /nfs/dbraw/zinc/70/01/07/1019700107.db2.gz BMHPAJFGRFCGIJ-WCBMZHEXSA-N -1 0 307.310 -0.521 20 0 DBADRM Cn1nc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1OC(F)F ZINC001610612693 1019700175 /nfs/dbraw/zinc/70/01/75/1019700175.db2.gz LTWIBKFUXPOFRP-BQBZGAKWSA-N -1 0 319.264 -0.071 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCC1=CCCOC1 ZINC001610614321 1019701084 /nfs/dbraw/zinc/70/10/84/1019701084.db2.gz POAOTKHVZRKTFZ-UHFFFAOYSA-N -1 0 308.294 -0.480 20 0 DBADRM Cn1cnc2c1nccc2C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001610611534 1019701552 /nfs/dbraw/zinc/70/15/52/1019701552.db2.gz WOXLEDPZEKAHLS-IUCAKERBSA-N -1 0 304.306 -0.124 20 0 DBADRM Cn1cnc(CNS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC001610611277 1019701802 /nfs/dbraw/zinc/70/18/02/1019701802.db2.gz LKOKHXLCDCHZDX-RKDXNWHRSA-N -1 0 302.356 -0.122 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1CCOC[C@H]1CC(=O)[O-])CC2 ZINC001610617263 1019702583 /nfs/dbraw/zinc/70/25/83/1019702583.db2.gz UNTNHVQPUMBYCQ-VHSXEESVSA-N -1 0 308.338 -0.378 20 0 DBADRM Cn1nnnc1CCNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001610618569 1019702601 /nfs/dbraw/zinc/70/26/01/1019702601.db2.gz WTQJWOFDGSNREG-IUCAKERBSA-N -1 0 317.371 -0.685 20 0 DBADRM Cn1nccc1[C@@H](NC[C@@H](O)COC1CCOCC1)C(=O)[O-] ZINC001610616251 1019702838 /nfs/dbraw/zinc/70/28/38/1019702838.db2.gz YGMPCGAGUCKFHK-ZWNOBZJWSA-N -1 0 313.354 -0.308 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)N1CC(C)(C(=O)[O-])C1)[nH]c2=O ZINC001610615572 1019703007 /nfs/dbraw/zinc/70/30/07/1019703007.db2.gz QLGZXSSTAKZWOA-UHFFFAOYSA-N -1 0 319.321 -0.065 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001610618001 1019703415 /nfs/dbraw/zinc/70/34/15/1019703415.db2.gz NZGZNYPIEGYMET-MRVPVSSYSA-N -1 0 302.337 -0.019 20 0 DBADRM Cn1nccc1CCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001610616594 1019703746 /nfs/dbraw/zinc/70/37/46/1019703746.db2.gz YMSQZMKTYPQEGO-GFCCVEGCSA-N -1 0 310.354 -0.170 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCOC[C@H]1CC(=O)[O-])CC2 ZINC001610617261 1019704243 /nfs/dbraw/zinc/70/42/43/1019704243.db2.gz UNTNHVQPUMBYCQ-NXEZZACHSA-N -1 0 308.338 -0.378 20 0 DBADRM NC(=O)CC1(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)CCC1 ZINC001610635583 1019705951 /nfs/dbraw/zinc/70/59/51/1019705951.db2.gz HXVIEJLGDHJLSV-UHFFFAOYSA-N -1 0 313.335 -0.144 20 0 DBADRM NC(=O)C1CCC(NC(=O)C(=O)NCCCCC(=O)[O-])CC1 ZINC001610636926 1019706433 /nfs/dbraw/zinc/70/64/33/1019706433.db2.gz ZCCUOABUFDEHDC-UHFFFAOYSA-N -1 0 313.354 -0.482 20 0 DBADRM NC(=O)C1CCN(C(=O)CSc2nc(C(=O)[O-])c[nH]2)CC1 ZINC001610635379 1019706835 /nfs/dbraw/zinc/70/68/35/1019706835.db2.gz FSEMUFKEHUSRAK-UHFFFAOYSA-N -1 0 312.351 -0.076 20 0 DBADRM NC(=O)[C@H]1CC(C(=O)N[C@H](CF)C(=O)[O-])=NN1c1ccccc1 ZINC001610634665 1019706917 /nfs/dbraw/zinc/70/69/17/1019706917.db2.gz DHYRNSNSOHPOQN-GHMZBOCLSA-N -1 0 322.296 -0.355 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001610639855 1019707752 /nfs/dbraw/zinc/70/77/52/1019707752.db2.gz GUYUVYGEWFILBB-VHSXEESVSA-N -1 0 321.333 -0.509 20 0 DBADRM NC(=O)Nc1cccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC001610639096 1019710535 /nfs/dbraw/zinc/71/05/35/1019710535.db2.gz GFOPOAFDXDNUGT-SNVBAGLBSA-N -1 0 320.305 -0.408 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCC[S@@](=O)C(C)(C)C ZINC001610920435 1019751357 /nfs/dbraw/zinc/75/13/57/1019751357.db2.gz DHFZWVCNCVAILM-HXUWFJFHSA-N -1 0 306.384 -0.417 20 0 DBADRM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CCOCC2)C1 ZINC001610653184 1019713488 /nfs/dbraw/zinc/71/34/88/1019713488.db2.gz SXHFNXFBKDNXBR-NSHDSACASA-N -1 0 324.255 -0.289 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)CCCS(=O)(=O)N1CCCC1 ZINC001610657444 1019714672 /nfs/dbraw/zinc/71/46/72/1019714672.db2.gz CTEKHHPJUPCNHO-SECBINFHSA-N -1 0 310.347 -0.269 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001610960205 1019753637 /nfs/dbraw/zinc/75/36/37/1019753637.db2.gz KGIRUTKASDDZOQ-MRVPVSSYSA-N -1 0 309.388 -0.564 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)CCC(=O)N1CCC(O)CC1 ZINC001610654354 1019715398 /nfs/dbraw/zinc/71/53/98/1019715398.db2.gz CMRXITRPYIOUBU-UHFFFAOYSA-N -1 0 310.310 -0.190 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC001610660440 1019715444 /nfs/dbraw/zinc/71/54/44/1019715444.db2.gz DBGFYQONHCOIOC-JTQLQIEISA-N -1 0 321.289 -0.946 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 ZINC001610662712 1019715574 /nfs/dbraw/zinc/71/55/74/1019715574.db2.gz NQAGCPNYAUKCQH-WCQYABFASA-N -1 0 300.355 -0.561 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(F)cc1 ZINC001610673106 1019716754 /nfs/dbraw/zinc/71/67/54/1019716754.db2.gz UBDAJDPITUJRLX-UWVGGRQHSA-N -1 0 323.280 -0.292 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@H]2CCOC3(CCOCC3)C2)nn1 ZINC001610677422 1019717887 /nfs/dbraw/zinc/71/78/87/1019717887.db2.gz RENMPUTUYVRRRO-JTQLQIEISA-N -1 0 324.337 -0.179 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CNC(=O)c1c(F)cccc1Cl ZINC001610664949 1019717960 /nfs/dbraw/zinc/71/79/60/1019717960.db2.gz MHLFEAPSSSHWKM-QMMMGPOBSA-N -1 0 318.688 -0.229 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC001610671804 1019718259 /nfs/dbraw/zinc/71/82/59/1019718259.db2.gz OEAYMHFHWNQLHJ-ZCFIWIBFSA-N -1 0 319.364 -0.033 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1cc[nH]c(=O)c1Br ZINC001610682747 1019718495 /nfs/dbraw/zinc/71/84/95/1019718495.db2.gz AKLTWXGFUHNIIW-YFKPBYRVSA-N -1 0 305.084 -0.275 20 0 DBADRM O=C([O-])c1c(F)ccc(NC(=O)NCC(=O)NCCO)c1F ZINC001610665025 1019718513 /nfs/dbraw/zinc/71/85/13/1019718513.db2.gz SLBRVDXQCSHBKM-UHFFFAOYSA-N -1 0 317.248 -0.107 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NC2CCSCC2)C1 ZINC001610688476 1019719482 /nfs/dbraw/zinc/71/94/82/1019719482.db2.gz YLJZTLNWQVNRNV-WPRPVWTQSA-N -1 0 316.379 -0.708 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC001610696034 1019720034 /nfs/dbraw/zinc/72/00/34/1019720034.db2.gz YXULCSZHGQIKCQ-LBPRGKRZSA-N -1 0 319.317 -0.273 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@@H]2CCSC2)C1 ZINC001610689781 1019720089 /nfs/dbraw/zinc/72/00/89/1019720089.db2.gz APRJHHNINCWJOD-IVZWLZJFSA-N -1 0 316.379 -0.850 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)CNC(=O)c1ccc(F)cc1 ZINC001610687555 1019720312 /nfs/dbraw/zinc/72/03/12/1019720312.db2.gz SZOFIFOMWNVAPD-YPMHNXCESA-N -1 0 324.308 -0.008 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC001610695783 1019720445 /nfs/dbraw/zinc/72/04/45/1019720445.db2.gz PJIPVGWKCIBUQH-NSHDSACASA-N -1 0 313.354 -0.524 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@@H]2CCn3ccnc3C2)CC1 ZINC001610688502 1019720486 /nfs/dbraw/zinc/72/04/86/1019720486.db2.gz ZXAWJWKIOXRGRN-LLVKDONJSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC001610696100 1019720617 /nfs/dbraw/zinc/72/06/17/1019720617.db2.gz AHXHDEFDAQIBEG-LBPRGKRZSA-N -1 0 306.318 -0.016 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC2(CO)CC2)c2ccccc2O1 ZINC001610683979 1019720814 /nfs/dbraw/zinc/72/08/14/1019720814.db2.gz IAWJADRGHKVSCC-LLVKDONJSA-N -1 0 320.301 -0.494 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C(=O)Nc2ccccc2F)nn1 ZINC001610696056 1019720829 /nfs/dbraw/zinc/72/08/29/1019720829.db2.gz YOFWWJJMXMRLKU-UHFFFAOYSA-N -1 0 321.268 -0.130 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)CNC(=O)c1ccccc1 ZINC001610685475 1019721281 /nfs/dbraw/zinc/72/12/81/1019721281.db2.gz FAQFQZFOKXJJDT-YPMHNXCESA-N -1 0 306.318 -0.147 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)C(=O)NC3CCCC3)C2)nn1 ZINC001610687260 1019721576 /nfs/dbraw/zinc/72/15/76/1019721576.db2.gz WEVNCOJVWRKIGD-SNVBAGLBSA-N -1 0 321.337 -0.192 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NCC2(C3CC3)CC2)C1 ZINC001610691650 1019721799 /nfs/dbraw/zinc/72/17/99/1019721799.db2.gz WMLWPSFPZQCFMD-ONGXEEELSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])C1(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)CC1 ZINC001610724936 1019722044 /nfs/dbraw/zinc/72/20/44/1019722044.db2.gz KCMPXEHTTZBWLE-UHFFFAOYSA-N -1 0 316.379 -0.076 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(C(=O)C(=O)N[C@H]1[C@@H]3COC[C@@H]31)CC2 ZINC001610702243 1019722281 /nfs/dbraw/zinc/72/22/81/1019722281.db2.gz WXDBAQOGJYWOKM-YTWAJWBKSA-N -1 0 308.334 -0.539 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC001610702030 1019722338 /nfs/dbraw/zinc/72/23/38/1019722338.db2.gz VKHRASBIRMXZMP-QWRGUYRKSA-N -1 0 324.358 -0.237 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NN2CCCNC2=O)c(F)c1 ZINC001610707015 1019722424 /nfs/dbraw/zinc/72/24/24/1019722424.db2.gz SWOSLEUCXGXUNE-UHFFFAOYSA-N -1 0 324.268 -0.091 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)cc1 ZINC001610705852 1019723274 /nfs/dbraw/zinc/72/32/74/1019723274.db2.gz WZFIAVKRRGVGGX-QWRGUYRKSA-N -1 0 308.290 -0.723 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)NCCc2cnccn2)CC1 ZINC001610722911 1019723967 /nfs/dbraw/zinc/72/39/67/1019723967.db2.gz QPLYSQSEKCWOMF-GFCCVEGCSA-N -1 0 308.338 -0.114 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N[C@H]2CCS(=O)(=O)C2)CCC1 ZINC001610728066 1019725095 /nfs/dbraw/zinc/72/50/95/1019725095.db2.gz RZGCOKGBJUEPRZ-QMMMGPOBSA-N -1 0 311.381 -0.652 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCC[C@H](N3CCCC3=O)C2)C1 ZINC001610735060 1019725375 /nfs/dbraw/zinc/72/53/75/1019725375.db2.gz MVGDUOUIAGKQEG-NEPJUHHUSA-N -1 0 309.366 -0.036 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001610735219 1019725472 /nfs/dbraw/zinc/72/54/72/1019725472.db2.gz FJGSCAXTNXAJQC-SFYZADRCSA-N -1 0 306.278 -0.429 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001610734801 1019726487 /nfs/dbraw/zinc/72/64/87/1019726487.db2.gz LGJPNFJRVQOAQU-IQJOONFLSA-N -1 0 322.321 -0.943 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)C[C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC001610755644 1019727417 /nfs/dbraw/zinc/72/74/17/1019727417.db2.gz FJYQETCFOOQGET-JOYOIKCWSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2cc(Cn3cccn3)on2)C1 ZINC001610738915 1019727813 /nfs/dbraw/zinc/72/78/13/1019727813.db2.gz RVKBGQICOCDEQA-VHSXEESVSA-N -1 0 320.305 -0.173 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)CCCN2C(=O)CNC2=O)CCOC1 ZINC001610755744 1019730829 /nfs/dbraw/zinc/73/08/29/1019730829.db2.gz KXVHFXPPBFUWBP-ZDUSSCGKSA-N -1 0 313.310 -0.932 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)c2cccn3c(=O)[nH]nc23)CCOC1 ZINC001610759033 1019731135 /nfs/dbraw/zinc/73/11/35/1019731135.db2.gz IJIGJXBNJAXNSL-CYBMUJFWSA-N -1 0 306.278 -0.202 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cc1[nH]nc2ccccc21 ZINC001610759688 1019731786 /nfs/dbraw/zinc/73/17/86/1019731786.db2.gz CZCQRJKZSIMQAE-GFCCVEGCSA-N -1 0 316.317 -0.093 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCCN1CCOCC1 ZINC001610763014 1019731817 /nfs/dbraw/zinc/73/18/17/1019731817.db2.gz MOUSJUXQXFJGIN-LBPRGKRZSA-N -1 0 320.411 -0.022 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cn(C2CCC2)nn1 ZINC001610762100 1019731891 /nfs/dbraw/zinc/73/18/91/1019731891.db2.gz TYDDMWXMJNFSFS-JTQLQIEISA-N -1 0 307.310 -0.582 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cnn2c1OCCC2 ZINC001610761374 1019731904 /nfs/dbraw/zinc/73/19/04/1019731904.db2.gz CRMXESZEVPCLCA-SECBINFHSA-N -1 0 308.294 -0.919 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1CCC(=O)Nc1cccnc1 ZINC001610762180 1019732081 /nfs/dbraw/zinc/73/20/81/1019732081.db2.gz VTGUXHSJXUISCO-LLVKDONJSA-N -1 0 306.322 -0.315 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)CCn2cnccc2=O)CCCOC1 ZINC001610756589 1019732318 /nfs/dbraw/zinc/73/23/18/1019732318.db2.gz CLKUQJHKMBGZMT-AWEZNQCLSA-N -1 0 309.322 -0.227 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCn2c(CC3CC3)nnc2C1 ZINC001610774342 1019733490 /nfs/dbraw/zinc/73/34/90/1019733490.db2.gz QDAHLKLDGPRMAC-UHFFFAOYSA-N -1 0 307.354 -0.363 20 0 DBADRM O=C([O-])CCc1ccc(NC(=O)C(=O)NC[C@@H](O)CO)cc1 ZINC001610777471 1019733913 /nfs/dbraw/zinc/73/39/13/1019733913.db2.gz OEGWFOLCXRIWPG-LLVKDONJSA-N -1 0 310.306 -0.888 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCN(C(=O)N2CCCC2)CC1 ZINC001610774106 1019734301 /nfs/dbraw/zinc/73/43/01/1019734301.db2.gz GXIWQSHXFKDNSH-UHFFFAOYSA-N -1 0 312.370 -0.589 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)NCCN1CCOCC1 ZINC001610768370 1019734420 /nfs/dbraw/zinc/73/44/20/1019734420.db2.gz FURILYDAFKFAIJ-UHFFFAOYSA-N -1 0 308.400 -0.117 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)CSc1nncs1 ZINC001610774254 1019734582 /nfs/dbraw/zinc/73/45/82/1019734582.db2.gz LPNTVXQOXOOMLB-UHFFFAOYSA-N -1 0 305.337 -0.236 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)CN2CCNCC2=O)c1 ZINC001610789095 1019736229 /nfs/dbraw/zinc/73/62/29/1019736229.db2.gz SERXMSVQLKKPGB-UHFFFAOYSA-N -1 0 307.306 -0.480 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N[C@@H]2CCOC2)c1 ZINC001610789005 1019736963 /nfs/dbraw/zinc/73/69/63/1019736963.db2.gz OLPWNDADYFDLRT-SNVBAGLBSA-N -1 0 308.290 -0.006 20 0 DBADRM O=C([O-])CSCCC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001610789577 1019737043 /nfs/dbraw/zinc/73/70/43/1019737043.db2.gz ASRLZULACHRTGN-UHFFFAOYSA-N -1 0 315.355 -0.782 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1S(=O)(=O)C[C@H]1CCCO1 ZINC001610783111 1019737417 /nfs/dbraw/zinc/73/74/17/1019737417.db2.gz MSYHXYSLOSQAJE-ZJUUUORDSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CCCCN1CCOCC1 ZINC001610802611 1019739301 /nfs/dbraw/zinc/73/93/01/1019739301.db2.gz NAAQGHJSVFHOEE-NEPJUHHUSA-N -1 0 300.355 -0.465 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)NCCN2CCNC(=O)C2)n1 ZINC001610795602 1019739854 /nfs/dbraw/zinc/73/98/54/1019739854.db2.gz SDLIHNVHNCINGE-UHFFFAOYSA-N -1 0 321.337 -0.738 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(Cn3nnn(-c4ccccc4)c3=O)C[C@@H]21 ZINC001610803428 1019739874 /nfs/dbraw/zinc/73/98/74/1019739874.db2.gz AAHRZQBDPWADLH-GDNZZTSVSA-N -1 0 301.306 -0.351 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccnc(N2CCCC2)n1 ZINC001610802354 1019740065 /nfs/dbraw/zinc/74/00/65/1019740065.db2.gz CPPNFBSTFSGLGG-KOLCDFICSA-N -1 0 306.322 -0.263 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NN1CCCNC1=O ZINC001610797041 1019740286 /nfs/dbraw/zinc/74/02/86/1019740286.db2.gz CDEABKFALCJPQT-UHFFFAOYSA-N -1 0 320.305 -0.301 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)NCCC(=O)N3CCOCC3)C[C@@H]21 ZINC001610803684 1019740421 /nfs/dbraw/zinc/74/04/21/1019740421.db2.gz WEBFDXSYHFLTKM-IAZYJMLFSA-N -1 0 311.338 -0.793 20 0 DBADRM O=C([O-])Cc1occc1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC001610798050 1019740718 /nfs/dbraw/zinc/74/07/18/1019740718.db2.gz CJAHXTCYLDKGNO-UHFFFAOYSA-N -1 0 306.278 -0.210 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H](O)C2)cc1F ZINC001610837702 1019741543 /nfs/dbraw/zinc/74/15/43/1019741543.db2.gz GJBFLURRNNMTCS-OCAPTIKFSA-N -1 0 319.310 -0.360 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCO[C@]3(CCSC3)C2)nn1 ZINC001610859646 1019741988 /nfs/dbraw/zinc/74/19/88/1019741988.db2.gz VRASYKUJHIHLMP-GFCCVEGCSA-N -1 0 312.351 -0.289 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCC2(O)CCOCC2)cn1 ZINC001610839700 1019742384 /nfs/dbraw/zinc/74/23/84/1019742384.db2.gz YEHHOYIDLMJKAP-UHFFFAOYSA-N -1 0 316.335 -0.400 20 0 DBADRM O=C([O-])c1ccc(CN2CCN(C(=O)Cn3cnnn3)CC2)[nH]1 ZINC001610826711 1019742402 /nfs/dbraw/zinc/74/24/02/1019742402.db2.gz BDYWDJOSNNYZEU-UHFFFAOYSA-N -1 0 319.325 -0.956 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CCC(C3OCCO3)CC2)n1 ZINC001610821237 1019743121 /nfs/dbraw/zinc/74/31/21/1019743121.db2.gz SPUFBPGJHXAMBE-UHFFFAOYSA-N -1 0 309.322 -0.016 20 0 DBADRM O=C([O-])c1cn(C2CCN(S(=O)(=O)NC3CC3)CC2)nn1 ZINC001610858321 1019743259 /nfs/dbraw/zinc/74/32/59/1019743259.db2.gz SQBMHIMEBFYHSN-UHFFFAOYSA-N -1 0 315.355 -0.390 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)nn1 ZINC001610858562 1019743305 /nfs/dbraw/zinc/74/33/05/1019743305.db2.gz ZCNJEPRXOXKRNO-MRVPVSSYSA-N -1 0 316.321 -0.112 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3nccn4ccnc34)C2)nn1 ZINC001610860174 1019747414 /nfs/dbraw/zinc/74/74/14/1019747414.db2.gz CHVAGGYYVQUVPY-UHFFFAOYSA-N -1 0 313.277 -0.284 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC(C3N=NC(=O)O3)CC2)nn1 ZINC001610860262 1019748484 /nfs/dbraw/zinc/74/84/84/1019748484.db2.gz FYENWHWCNPOMHX-UHFFFAOYSA-N -1 0 322.281 -0.529 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCCc1cn2ccccc2n1 ZINC001610920687 1019750214 /nfs/dbraw/zinc/75/02/14/1019750214.db2.gz RLSUOJNALOAYMF-UHFFFAOYSA-N -1 0 318.333 -0.074 20 0 DBADRM CN(C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1)[C@@H]1CCNC1=O ZINC001610887869 1019750298 /nfs/dbraw/zinc/75/02/98/1019750298.db2.gz ZFHCLCKXGLLRBV-LLVKDONJSA-N -1 0 319.317 -0.652 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCN2CCNC(=O)C2)cc1F ZINC001610886605 1019750441 /nfs/dbraw/zinc/75/04/41/1019750441.db2.gz YBNUUNWJZYFKAO-UHFFFAOYSA-N -1 0 309.297 -0.315 20 0 DBADRM O=C([O-])C1(NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)CC1 ZINC001610887762 1019750687 /nfs/dbraw/zinc/75/06/87/1019750687.db2.gz YNBBNFNLXJLNGT-UHFFFAOYSA-N -1 0 303.274 -0.147 20 0 DBADRM COC(=O)c1ccccc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001610981434 1019752751 /nfs/dbraw/zinc/75/27/51/1019752751.db2.gz IVIVDFLBQHVEMF-AWEZNQCLSA-N -1 0 324.289 -0.637 20 0 DBADRM COC(=O)C12CCC(C(=O)OCC(=O)NCC(=O)[O-])(CC1)C2 ZINC001610965442 1019753406 /nfs/dbraw/zinc/75/34/06/1019753406.db2.gz ZSXQUUQUXISERO-UHFFFAOYSA-N -1 0 313.306 -0.146 20 0 DBADRM CN(CCCCCO)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001610935069 1019754254 /nfs/dbraw/zinc/75/42/54/1019754254.db2.gz UCWFAWLJABWPTR-CQSZACIVSA-N -1 0 300.355 -0.069 20 0 DBADRM COc1c2cnn(C)c2ncc1C(=O)OCC(=O)NCC(=O)[O-] ZINC001611023916 1019754908 /nfs/dbraw/zinc/75/49/08/1019754908.db2.gz HPWALGWJCGHTCT-UHFFFAOYSA-N -1 0 322.277 -0.666 20 0 DBADRM COCCCN(CCO)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001611000496 1019755287 /nfs/dbraw/zinc/75/52/87/1019755287.db2.gz SYAQIFAXOYTZJA-AWEZNQCLSA-N -1 0 316.354 -0.833 20 0 DBADRM COCC(COC)N1CCN(C(=O)N[C@H](C)CC(=O)[O-])CC1 ZINC001610994457 1019755394 /nfs/dbraw/zinc/75/53/94/1019755394.db2.gz BYVNDRWAGLUHQG-LLVKDONJSA-N -1 0 317.386 -0.162 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1nnn(-c2cnn(C)c2)c1C ZINC001611009527 1019756386 /nfs/dbraw/zinc/75/63/86/1019756386.db2.gz XOZJOLXSOLDJMR-UHFFFAOYSA-N -1 0 322.325 -0.518 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)nn1C ZINC001611033576 1019756482 /nfs/dbraw/zinc/75/64/82/1019756482.db2.gz ZKGPFYWBCLPMIG-ZDUSSCGKSA-N -1 0 310.310 -0.310 20 0 DBADRM COc1cc(F)cc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001611033566 1019756865 /nfs/dbraw/zinc/75/68/65/1019756865.db2.gz YAZMBLSEQKLSBO-ZDUSSCGKSA-N -1 0 314.269 -0.275 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc(C(N)=O)c1 ZINC001611146363 1019758460 /nfs/dbraw/zinc/75/84/60/1019758460.db2.gz DORFBRQBGBFREZ-SECBINFHSA-N -1 0 319.317 -0.034 20 0 DBADRM Cc1c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)nnn1-c1ccn(C)n1 ZINC001611118629 1019758617 /nfs/dbraw/zinc/75/86/17/1019758617.db2.gz GFDPKKMOJUBWKI-SECBINFHSA-N -1 0 320.309 -0.765 20 0 DBADRM Cc1cnc(Cl)c(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001611215829 1019759366 /nfs/dbraw/zinc/75/93/66/1019759366.db2.gz SIVPLMYLOZTXJC-LBPRGKRZSA-N -1 0 315.713 -0.066 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cnn(C(F)F)c2)CCO1 ZINC001611349513 1019760492 /nfs/dbraw/zinc/76/04/92/1019760492.db2.gz HFYDUROTOCAYJX-ZETCQYMHSA-N -1 0 318.236 -0.471 20 0 DBADRM O=C([O-])[C@@H]1CC(C(=O)NC(CO)CO)=NN1c1ccccc1 ZINC001611328902 1019760590 /nfs/dbraw/zinc/76/05/90/1019760590.db2.gz WBQWSLKGOUVHTK-LBPRGKRZSA-N -1 0 307.306 -0.825 20 0 DBADRM O=C(CCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-])NC1CCCC1 ZINC001611318540 1019761251 /nfs/dbraw/zinc/76/12/51/1019761251.db2.gz XCQHJRZYEWXBEK-LLVKDONJSA-N -1 0 318.395 -0.381 20 0 DBADRM O=C([O-])C(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC001611334059 1019761568 /nfs/dbraw/zinc/76/15/68/1019761568.db2.gz DGGQZOBETPSGRV-NXEZZACHSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])[C@@H]1CCCN1C(=O)C(=O)Nc1nc2n(n1)CCCC2 ZINC001611349518 1019761806 /nfs/dbraw/zinc/76/18/06/1019761806.db2.gz IHJGHDIWGJDJOS-QMMMGPOBSA-N -1 0 307.310 -0.372 20 0 DBADRM NC(=O)C[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1ccccc1 ZINC001611309381 1019762116 /nfs/dbraw/zinc/76/21/16/1019762116.db2.gz FFVMBPVRFKKZIN-ONGXEEELSA-N -1 0 305.290 -0.051 20 0 DBADRM O=C(CCN1CCS(=O)(=O)C[C@H]1C(=O)[O-])NC1CCCC1 ZINC001611318541 1019762189 /nfs/dbraw/zinc/76/21/89/1019762189.db2.gz XCQHJRZYEWXBEK-NSHDSACASA-N -1 0 318.395 -0.381 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ncccc1F ZINC001611401755 1019763001 /nfs/dbraw/zinc/76/30/01/1019763001.db2.gz PMHZWBKDFQKPQJ-JTQLQIEISA-N -1 0 316.310 -0.527 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCC(CCO)CC2)CC1 ZINC001611369667 1019763084 /nfs/dbraw/zinc/76/30/84/1019763084.db2.gz LKZOMFGJRDGXQW-UHFFFAOYSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnc2[nH]ccc2c1 ZINC001611401541 1019763506 /nfs/dbraw/zinc/76/35/06/1019763506.db2.gz HYSXVSWQMXQZBU-JTQLQIEISA-N -1 0 323.330 -0.162 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc2n[nH]nc21 ZINC001611401509 1019763935 /nfs/dbraw/zinc/76/39/35/1019763935.db2.gz GYESMBPHWMSDCL-VIFPVBQESA-N -1 0 324.318 -0.718 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)CCO1 ZINC001611391795 1019763988 /nfs/dbraw/zinc/76/39/88/1019763988.db2.gz VFDTZYSMDLFXDY-MXWKQRLJSA-N -1 0 311.338 -0.365 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC001611374853 1019764228 /nfs/dbraw/zinc/76/42/28/1019764228.db2.gz PBTUOBGSBTZILS-MXWKQRLJSA-N -1 0 306.318 -0.129 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CCOC[C@H]1CCCO1 ZINC001611401345 1019764643 /nfs/dbraw/zinc/76/46/43/1019764643.db2.gz BWYLOTHAUFKDDD-MNOVXSKESA-N -1 0 307.368 -0.634 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CCOC[C@@H]1CCCO1 ZINC001611401352 1019764867 /nfs/dbraw/zinc/76/48/67/1019764867.db2.gz BWYLOTHAUFKDDD-WDEREUQCSA-N -1 0 307.368 -0.634 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)Cn1nnc2ccccc2c1=O ZINC001611448090 1019765605 /nfs/dbraw/zinc/76/56/05/1019765605.db2.gz YMYCGNBGJDNPCS-UHFFFAOYSA-N -1 0 316.277 -0.461 20 0 DBADRM O=C([O-])CNC(=O)C[S@](=O)Cc1cnnn1-c1ccccc1 ZINC001611475346 1019766007 /nfs/dbraw/zinc/76/60/07/1019766007.db2.gz RTDOJVYSWGUMCI-JOCHJYFZSA-N -1 0 322.346 -0.283 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCN(Cc2ccco2)CC1 ZINC001611488337 1019766587 /nfs/dbraw/zinc/76/65/87/1019766587.db2.gz BIMKNNYXUKJUNN-UHFFFAOYSA-N -1 0 316.379 -0.103 20 0 DBADRM O=C([O-])CNC(=O)C[S@@](=O)Cc1cnnn1-c1ccccc1 ZINC001611475347 1019766963 /nfs/dbraw/zinc/76/69/63/1019766963.db2.gz RTDOJVYSWGUMCI-QFIPXVFZSA-N -1 0 322.346 -0.283 20 0 DBADRM O=C([O-])CNC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC001611480247 1019766999 /nfs/dbraw/zinc/76/69/99/1019766999.db2.gz XPYLHULEOPJONQ-VIFPVBQESA-N -1 0 306.278 -0.357 20 0 DBADRM O=C([O-])CCC(=O)OCC(=O)NC(=O)NCC(F)(F)F ZINC001611421897 1019767766 /nfs/dbraw/zinc/76/77/66/1019767766.db2.gz YZDSRNYOBQYOMR-UHFFFAOYSA-N -1 0 300.189 -0.218 20 0 DBADRM Cc1cc(F)ncc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001611575827 1019768602 /nfs/dbraw/zinc/76/86/02/1019768602.db2.gz JNLKQKQNEZRPIL-UHFFFAOYSA-N -1 0 303.315 -0.275 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCO[C@@H](c3ncon3)C2)cn1 ZINC001611565409 1019768879 /nfs/dbraw/zinc/76/88/79/1019768879.db2.gz LBLLSOANLHCJHN-SECBINFHSA-N -1 0 305.250 -0.229 20 0 DBADRM Cn1cnc(/C=C\C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC001611575808 1019769037 /nfs/dbraw/zinc/76/90/37/1019769037.db2.gz IWQDLSNVTSHRRT-ARJAWSKDSA-N -1 0 300.340 -0.985 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001506162888 1019770134 /nfs/dbraw/zinc/77/01/34/1019770134.db2.gz YOZFOYWLHAUBTQ-HTQZYQBOSA-N -1 0 309.326 -0.890 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccc(Cn2ccccc2=O)o1 ZINC001614993024 1019775120 /nfs/dbraw/zinc/77/51/20/1019775120.db2.gz XELLROHREMFEKV-UHFFFAOYSA-N -1 0 300.278 -0.067 20 0 DBADRM O=C(c1ccc2n[nH]nc2n1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001616142428 1019778588 /nfs/dbraw/zinc/77/85/88/1019778588.db2.gz NMVSFOOUCNFEIJ-MRVPVSSYSA-N -1 0 301.270 -0.920 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cc1ccccc1S(C)(=O)=O ZINC001616311062 1019779171 /nfs/dbraw/zinc/77/91/71/1019779171.db2.gz IQDPWHBLRQZPNQ-UHFFFAOYSA-N -1 0 300.336 -0.574 20 0 DBADRM COc1c(F)nccc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001617702923 1019786207 /nfs/dbraw/zinc/78/62/07/1019786207.db2.gz HIQOTXCVAWTFBY-UHFFFAOYSA-N -1 0 322.300 -0.134 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1nn(-c2ccccc2)c(C)cc1=O ZINC001618148717 1019792604 /nfs/dbraw/zinc/79/26/04/1019792604.db2.gz SETWONQKUJEKTN-UHFFFAOYSA-N -1 0 316.317 -0.052 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)[N-]N2C(=O)N[C@@](C)(CC)C2=O)nn1 ZINC001618561413 1019795021 /nfs/dbraw/zinc/79/50/21/1019795021.db2.gz ZFXQFSSOWCIFIJ-OQPBUACISA-N -1 0 324.341 -0.586 20 0 DBADRM CC(=O)N[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCCC1 ZINC001506357209 1019835928 /nfs/dbraw/zinc/83/59/28/1019835928.db2.gz WPCVSZQBNBOZPW-VIFPVBQESA-N -1 0 309.326 -0.293 20 0 DBADRM CC(=O)NC[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCCC1 ZINC001506367999 1019836654 /nfs/dbraw/zinc/83/66/54/1019836654.db2.gz KGERYCIHGWVEBO-SECBINFHSA-N -1 0 309.326 -0.293 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)n2C)C1 ZINC001576426627 1019849268 /nfs/dbraw/zinc/84/92/68/1019849268.db2.gz KUBOQLWLIAHUPM-SECBINFHSA-N -1 0 317.353 -0.054 20 0 DBADRM CCC(=O)NC[C@H]1COCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001576486277 1019855562 /nfs/dbraw/zinc/85/55/62/1019855562.db2.gz DFWIYALIAFLVJX-VIFPVBQESA-N -1 0 318.341 -0.612 20 0 DBADRM CC[C@H](C)C[C@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001576642201 1019875422 /nfs/dbraw/zinc/87/54/22/1019875422.db2.gz UFUCCZGDMCGGNS-JGVFFNPUSA-N -1 0 323.357 -0.125 20 0 DBADRM CC[C@@H](C[C@@H](C)O)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001576706236 1019879446 /nfs/dbraw/zinc/87/94/46/1019879446.db2.gz RPMDNRDFAINCKI-RQJHMYQMSA-N -1 0 309.330 -0.373 20 0 DBADRM CC[C@H](CNC(=O)CCOC)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001576815660 1019894684 /nfs/dbraw/zinc/89/46/84/1019894684.db2.gz QQPMATPUBJBNFF-SECBINFHSA-N -1 0 320.357 -0.578 20 0 DBADRM CN(CCCNC(=O)[C@@H]1CC1(C)C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001576960006 1019963959 /nfs/dbraw/zinc/96/39/59/1019963959.db2.gz ZVYARTFQXOLVMI-QMMMGPOBSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1nc[nH]c1C(=O)NCCOCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001506980707 1020033576 /nfs/dbraw/zinc/03/35/76/1020033576.db2.gz YKYDCJNOHJCXAF-UHFFFAOYSA-N -1 0 323.357 -0.580 20 0 DBADRM CN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C(C)(C)F ZINC001577239091 1020034395 /nfs/dbraw/zinc/03/43/95/1020034395.db2.gz DZSIEXLDGDJDDU-UHFFFAOYSA-N -1 0 317.321 -0.598 20 0 DBADRM CN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1=CCCC1 ZINC001577239532 1020039097 /nfs/dbraw/zinc/03/90/97/1020039097.db2.gz OTZIFDKGEHOYPY-UHFFFAOYSA-N -1 0 323.353 -0.236 20 0 DBADRM CCC[C@@H](O)CCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001577326282 1020055257 /nfs/dbraw/zinc/05/52/57/1020055257.db2.gz QKZLQXOCGWUZDP-SECBINFHSA-N -1 0 323.361 -0.692 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCCNC(=O)Cn2cncn2)c1[O-] ZINC001577391415 1020060099 /nfs/dbraw/zinc/06/00/99/1020060099.db2.gz SKDSNIAIKJIGQA-UHFFFAOYSA-N -1 0 321.341 -0.706 20 0 DBADRM CCCCS(=O)(=O)CC(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001577517900 1020074343 /nfs/dbraw/zinc/07/43/43/1020074343.db2.gz OFRZTUSCFXFUGZ-UHFFFAOYSA-N -1 0 313.343 -0.257 20 0 DBADRM Cc1cc(CN[C@H](C)CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001507096425 1020087480 /nfs/dbraw/zinc/08/74/80/1020087480.db2.gz PIFOXQIFXSVPDM-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM CCN(C)C(=O)CNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001577844479 1020127698 /nfs/dbraw/zinc/12/76/98/1020127698.db2.gz JJWCMASJIVFHQE-UHFFFAOYSA-N -1 0 319.325 -0.516 20 0 DBADRM Cc1c(F)cccc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001507197668 1020171397 /nfs/dbraw/zinc/17/13/97/1020171397.db2.gz DRNAZPWTGLVGPK-VIFPVBQESA-N -1 0 323.328 -0.162 20 0 DBADRM CCN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)[C@H]1C[C@@H]1C ZINC001578131195 1020192824 /nfs/dbraw/zinc/19/28/24/1020192824.db2.gz BXJRWYNXCIAHPG-UWVGGRQHSA-N -1 0 316.369 -0.005 20 0 DBADRM C[C@@H](C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C(F)(F)F ZINC001507222366 1020203982 /nfs/dbraw/zinc/20/39/82/1020203982.db2.gz OVDVHAUZOITKHH-WDSKDSINSA-N -1 0 311.264 -0.725 20 0 DBADRM C[C@H](C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C(F)(F)F ZINC001507222365 1020204412 /nfs/dbraw/zinc/20/44/12/1020204412.db2.gz OVDVHAUZOITKHH-RITPCOANSA-N -1 0 311.264 -0.725 20 0 DBADRM CCN1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[nH]n2)CC1=O ZINC001578214405 1020205211 /nfs/dbraw/zinc/20/52/11/1020205211.db2.gz AACXIKQNWXSMMJ-SSDOTTSWSA-N -1 0 319.329 -0.658 20 0 DBADRM CCO[C@@H](C)C(=O)NC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001578289208 1020210780 /nfs/dbraw/zinc/21/07/80/1020210780.db2.gz SVYBMJFDFRDWEO-IUCAKERBSA-N -1 0 320.357 -0.580 20 0 DBADRM CCOCC(=O)NC[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001578358644 1020219492 /nfs/dbraw/zinc/21/94/92/1020219492.db2.gz NBFVLZQFBKGMHM-SECBINFHSA-N -1 0 320.357 -0.721 20 0 DBADRM CCOCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001578364907 1020222142 /nfs/dbraw/zinc/22/21/42/1020222142.db2.gz MUZAWGDNFTXMDC-DTORHVGOSA-N -1 0 318.341 -0.248 20 0 DBADRM CCOCC(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001578364027 1020222513 /nfs/dbraw/zinc/22/25/13/1020222513.db2.gz NAOXBANXKKZXKE-MRVPVSSYSA-N -1 0 321.341 -0.534 20 0 DBADRM CCOCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001578364181 1020222553 /nfs/dbraw/zinc/22/25/53/1020222553.db2.gz XMEIDQSLSBBJDH-SECBINFHSA-N -1 0 318.341 -0.612 20 0 DBADRM CCOCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001578364908 1020222593 /nfs/dbraw/zinc/22/25/93/1020222593.db2.gz MUZAWGDNFTXMDC-KYZUINATSA-N -1 0 318.341 -0.248 20 0 DBADRM CCOCC(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nc1 ZINC001578360573 1020223098 /nfs/dbraw/zinc/22/30/98/1020223098.db2.gz IPFZLBMRERGMQG-SNVBAGLBSA-N -1 0 321.341 -0.813 20 0 DBADRM CCOCC(=O)N[C@@H](C)CNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001578364030 1020223393 /nfs/dbraw/zinc/22/33/93/1020223393.db2.gz NEPOTKDRTLWKQR-VIFPVBQESA-N -1 0 320.357 -0.082 20 0 DBADRM CCOCC(C)(C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001578366904 1020225103 /nfs/dbraw/zinc/22/51/03/1020225103.db2.gz ZWRWYCOYKXTBEE-UHFFFAOYSA-N -1 0 323.361 -0.428 20 0 DBADRM C/C=C(\C)C(=O)N[C@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001578481309 1020247902 /nfs/dbraw/zinc/24/79/02/1020247902.db2.gz FKGSYLSYNBACOC-WXTRIPNZSA-N -1 0 320.349 -0.171 20 0 DBADRM CCc1c[nH]c(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001578494670 1020248430 /nfs/dbraw/zinc/24/84/30/1020248430.db2.gz IUQZUNACRONYTH-ZETCQYMHSA-N -1 0 316.329 -0.379 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cn(C)nc2C)c1=O ZINC001578737783 1020287088 /nfs/dbraw/zinc/28/70/88/1020287088.db2.gz RTZRLKLQEUFHNH-UHFFFAOYSA-N -1 0 316.325 -0.700 20 0 DBADRM C/C=C(/C)C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001578808212 1020308173 /nfs/dbraw/zinc/30/81/73/1020308173.db2.gz FKGSYLSYNBACOC-NOQGZOHOSA-N -1 0 320.349 -0.171 20 0 DBADRM CCn1ncn([N-]C(=O)c2cccc(F)c2-c2nn[nH]n2)c1=O ZINC001578828093 1020312929 /nfs/dbraw/zinc/31/29/29/1020312929.db2.gz IESRPPCPAFNXKN-UHFFFAOYSA-N -1 0 318.272 -0.232 20 0 DBADRM CN(C(=O)CCc1cn(C)nn1)c1cc(-c2nn[nH]n2)ccn1 ZINC001578874254 1020320857 /nfs/dbraw/zinc/32/08/57/1020320857.db2.gz DYIGZNVZAHRCIS-UHFFFAOYSA-N -1 0 313.325 -0.014 20 0 DBADRM CN(C(=O)[C@H]1CCC(=O)N1C)c1cc(-c2nn[nH]n2)ccn1 ZINC001578893338 1020326115 /nfs/dbraw/zinc/32/61/15/1020326115.db2.gz GPJRSAYFWWMGQO-SECBINFHSA-N -1 0 301.310 -0.155 20 0 DBADRM CN(CC(C)(CO)CO)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001579022779 1020352364 /nfs/dbraw/zinc/35/23/64/1020352364.db2.gz XEVDSGMOCLMEFE-UHFFFAOYSA-N -1 0 321.341 -0.284 20 0 DBADRM CN(C[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1)C(=O)C1CC1 ZINC001579048732 1020359654 /nfs/dbraw/zinc/35/96/54/1020359654.db2.gz KNMRGXLVKPJGFS-VIFPVBQESA-N -1 0 318.341 -0.702 20 0 DBADRM CN(CCNC(=O)[C@H]1CC1(F)F)c1cnc(-c2nn[nH]n2)cn1 ZINC001579166269 1020383269 /nfs/dbraw/zinc/38/32/69/1020383269.db2.gz AZDZZJBGLFQIPP-SSDOTTSWSA-N -1 0 324.295 -0.136 20 0 DBADRM CN(CCNC(=O)c1cc[nH]c1)c1nccnc1-c1nn[nH]n1 ZINC001579196259 1020388954 /nfs/dbraw/zinc/38/89/54/1020388954.db2.gz RBHVMOQAEKAOJC-UHFFFAOYSA-N -1 0 313.325 -0.149 20 0 DBADRM CN(CCNC(=O)c1cocn1)c1cncc(-c2nn[nH]n2)n1 ZINC001579203400 1020390974 /nfs/dbraw/zinc/39/09/74/1020390974.db2.gz NZQVRRYLJLVFLV-UHFFFAOYSA-N -1 0 315.297 -0.489 20 0 DBADRM CN(CCNC(=O)c1cnon1)c1ccc(-c2nn[nH]n2)nc1 ZINC001579203699 1020392052 /nfs/dbraw/zinc/39/20/52/1020392052.db2.gz VHTKTYMFRQKQCN-UHFFFAOYSA-N -1 0 315.297 -0.489 20 0 DBADRM CNC(=O)Cn1cc(Nc2cc(-c3nn[nH]n3)nc(C)n2)cn1 ZINC001579397650 1020441365 /nfs/dbraw/zinc/44/13/65/1020441365.db2.gz FLPFGBADVNTYLW-UHFFFAOYSA-N -1 0 314.313 -0.349 20 0 DBADRM CNC(=O)Cc1nc(Cn2cc(-c3nnn[n-]3)nn2)cs1 ZINC001579399020 1020443324 /nfs/dbraw/zinc/44/33/24/1020443324.db2.gz RYJOCZYWTHXMCN-UHFFFAOYSA-N -1 0 305.327 -0.749 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)CCC1CC1 ZINC001507603032 1020447868 /nfs/dbraw/zinc/44/78/68/1020447868.db2.gz JCKUWUMNBUHVEV-LLVKDONJSA-N -1 0 311.386 -0.048 20 0 DBADRM COC(=O)[C@@H](CC(C)C)NC(=O)Cn1cc(-c2nnn[n-]2)nn1 ZINC001579433377 1020455535 /nfs/dbraw/zinc/45/55/35/1020455535.db2.gz DZODUIBGNANOBX-MRVPVSSYSA-N -1 0 322.329 -0.838 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)Cn1cc(-c2nnn[n-]2)nn1 ZINC001579433378 1020456794 /nfs/dbraw/zinc/45/67/94/1020456794.db2.gz DZODUIBGNANOBX-QMMMGPOBSA-N -1 0 322.329 -0.838 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001579467603 1020467588 /nfs/dbraw/zinc/46/75/88/1020467588.db2.gz AOUFDANFRXZPQC-RNJXMRFFSA-N -1 0 320.313 -0.913 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H](C)CN(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001579539347 1020484536 /nfs/dbraw/zinc/48/45/36/1020484536.db2.gz IDWVVBAFIHWAMI-IUCAKERBSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H](C)CN(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001579539346 1020487389 /nfs/dbraw/zinc/48/73/89/1020487389.db2.gz IDWVVBAFIHWAMI-DTWKUNHWSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@@H](C)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001579540954 1020488735 /nfs/dbraw/zinc/48/87/35/1020488735.db2.gz YTRGERSXHJHPIU-VIFPVBQESA-N -1 0 318.341 -0.660 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001579561843 1020495422 /nfs/dbraw/zinc/49/54/22/1020495422.db2.gz KJBTTWMGPWXFDO-DTWKUNHWSA-N -1 0 320.357 -0.002 20 0 DBADRM COCC(=O)N1CC(N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579623166 1020507699 /nfs/dbraw/zinc/50/76/99/1020507699.db2.gz FGJQVLXSNGWRGM-UHFFFAOYSA-N -1 0 319.325 -0.876 20 0 DBADRM COCC(=O)N(C)CCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001579624034 1020512204 /nfs/dbraw/zinc/51/22/04/1020512204.db2.gz NHBJVOFEWCNDRM-UHFFFAOYSA-N -1 0 320.357 -0.412 20 0 DBADRM COCC(=O)NC[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)C(C)C ZINC001579637349 1020524557 /nfs/dbraw/zinc/52/45/57/1020524557.db2.gz NYXIFERHUFLRQY-SECBINFHSA-N -1 0 320.357 -0.722 20 0 DBADRM COCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579763518 1020546931 /nfs/dbraw/zinc/54/69/31/1020546931.db2.gz AKCWAKUAPZWYTK-SECBINFHSA-N -1 0 318.341 -0.612 20 0 DBADRM COCCC(=O)NCC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001579769031 1020553896 /nfs/dbraw/zinc/55/38/96/1020553896.db2.gz PWLKYFFDVMEKPR-VIFPVBQESA-N -1 0 320.357 -0.578 20 0 DBADRM COCCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579770682 1020556414 /nfs/dbraw/zinc/55/64/14/1020556414.db2.gz GQILZXBYUWYUEP-DTORHVGOSA-N -1 0 318.341 -0.826 20 0 DBADRM CNC(=O)C1(C(=O)NC[C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001579800835 1020557678 /nfs/dbraw/zinc/55/76/78/1020557678.db2.gz ASQPAHVFOFFVOT-SSDOTTSWSA-N -1 0 323.353 -0.816 20 0 DBADRM CO[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1NC(C)=O ZINC001579853286 1020575817 /nfs/dbraw/zinc/57/58/17/1020575817.db2.gz BVXSZBATWYWRPZ-GHMZBOCLSA-N -1 0 319.325 -0.830 20 0 DBADRM C/C=C(\C)C(=O)NC1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001508364409 1020579536 /nfs/dbraw/zinc/57/95/36/1020579536.db2.gz NYJPBTMMSRDTTA-FPYGCLRLSA-N -1 0 323.353 -0.334 20 0 DBADRM COc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001579880957 1020580350 /nfs/dbraw/zinc/58/03/50/1020580350.db2.gz GSTUSSQIWSEUCM-UHFFFAOYSA-N -1 0 316.281 -0.371 20 0 DBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H](C)NC(=O)CC1CC1 ZINC001508457232 1020593122 /nfs/dbraw/zinc/59/31/22/1020593122.db2.gz XREHFFOPBSLIBU-DTWKUNHWSA-N -1 0 322.365 -0.091 20 0 DBADRM COc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)ccc1-c1nn[nH]n1 ZINC001579915605 1020593393 /nfs/dbraw/zinc/59/33/93/1020593393.db2.gz JWLCBMKMSBTPFS-UHFFFAOYSA-N -1 0 318.253 -0.738 20 0 DBADRM CCCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001508489413 1020601429 /nfs/dbraw/zinc/60/14/29/1020601429.db2.gz VUQMEWSCTWCVPC-DTWKUNHWSA-N -1 0 313.358 -0.111 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)c2cn[nH]n2)c1[O-] ZINC001508815755 1020676367 /nfs/dbraw/zinc/67/63/67/1020676367.db2.gz QHRPLOYVARAPES-ZCFIWIBFSA-N -1 0 307.314 -0.568 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1cn[nH]c1 ZINC001580291034 1020684054 /nfs/dbraw/zinc/68/40/54/1020684054.db2.gz VRIFUALICAIJJK-ZETCQYMHSA-N -1 0 314.313 -0.968 20 0 DBADRM C[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)C[C@H]1CS(N)(=O)=O ZINC001580350598 1020697777 /nfs/dbraw/zinc/69/77/77/1020697777.db2.gz NHCRFKCLMFASSY-SFYZADRCSA-N -1 0 324.370 -0.983 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001580449471 1020717172 /nfs/dbraw/zinc/71/71/72/1020717172.db2.gz KHRPCFYNQOSDSI-GUBZILKMSA-N -1 0 314.353 -0.253 20 0 DBADRM CN(CCNC(=O)C1CC=CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001580698757 1020787614 /nfs/dbraw/zinc/78/76/14/1020787614.db2.gz PCHOBGNTDHHDMV-UHFFFAOYSA-N -1 0 307.310 -0.563 20 0 DBADRM Cc1cc(C(=O)N(C)Cc2nc(=O)o[n-]2)ncc1-c1nn[nH]n1 ZINC001580778256 1020799892 /nfs/dbraw/zinc/79/98/92/1020799892.db2.gz BLKGEJJNSHFYJI-UHFFFAOYSA-N -1 0 316.281 -0.481 20 0 DBADRM Cc1cc(F)c(-c2nn[nH]n2)cc1NC(=O)CCNC(=O)CO ZINC001580933093 1020814295 /nfs/dbraw/zinc/81/42/95/1020814295.db2.gz PMVFAQDHPXBCLA-UHFFFAOYSA-N -1 0 322.300 -0.249 20 0 DBADRM Cc1cc(NC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)no1 ZINC001580980662 1020818632 /nfs/dbraw/zinc/81/86/32/1020818632.db2.gz LAVSYBOXJKXXJJ-UHFFFAOYSA-N -1 0 318.253 -0.936 20 0 DBADRM Cc1cnc(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)nc1 ZINC001581318697 1020830903 /nfs/dbraw/zinc/83/09/03/1020830903.db2.gz FENQIHPSAKAFMU-MRVPVSSYSA-N -1 0 314.313 -0.566 20 0 DBADRM Cc1cnc(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)nc1 ZINC001581318699 1020831120 /nfs/dbraw/zinc/83/11/20/1020831120.db2.gz FENQIHPSAKAFMU-QMMMGPOBSA-N -1 0 314.313 -0.566 20 0 DBADRM Cc1ccnc([C@@H](C)NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC001581278444 1020831366 /nfs/dbraw/zinc/83/13/66/1020831366.db2.gz PSYADVXKBAUOLJ-MRVPVSSYSA-N -1 0 314.313 -0.566 20 0 DBADRM Cc1nc([C@H](C)Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)no1 ZINC001581438788 1020835995 /nfs/dbraw/zinc/83/59/95/1020835995.db2.gz ZWTWSSGBSWHKMR-BYPYZUCNSA-N -1 0 319.285 -0.469 20 0 DBADRM Cc1nc(N[C@@H]2CCCN(CCO)C2=O)cc(-c2nn[nH]n2)n1 ZINC001581500798 1020837356 /nfs/dbraw/zinc/83/73/56/1020837356.db2.gz FLMGGEHZMYAULK-SECBINFHSA-N -1 0 318.341 -0.640 20 0 DBADRM Cc1nc(NCc2nnc3n2CCOC3)cc(-c2nn[nH]n2)n1 ZINC001581526436 1020838561 /nfs/dbraw/zinc/83/85/61/1020838561.db2.gz ZLKOJXBPQSCKQW-UHFFFAOYSA-N -1 0 314.313 -0.301 20 0 DBADRM Cc1nn(C)c(NC(=O)c2cccc(=O)n2C)c1-c1nn[nH]n1 ZINC001581595171 1020839537 /nfs/dbraw/zinc/83/95/37/1020839537.db2.gz RJTVXBPPTIIZSZ-UHFFFAOYSA-N -1 0 314.309 -0.140 20 0 DBADRM Cc1nn(CC(=O)NCc2cncc(-c3nn[nH]n3)c2)c(=O)o1 ZINC001581602970 1020839646 /nfs/dbraw/zinc/83/96/46/1020839646.db2.gz BCQPINQVVHUZSF-UHFFFAOYSA-N -1 0 316.281 -0.964 20 0 DBADRM Cc1nocc1CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001581643752 1020840825 /nfs/dbraw/zinc/84/08/25/1020840825.db2.gz JOWHJUISPRGCQK-UHFFFAOYSA-N -1 0 318.297 -0.827 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2CCC[C@@H]2CO)c(-c2nnn[n-]2)c1=O ZINC001581747217 1020842739 /nfs/dbraw/zinc/84/27/39/1020842739.db2.gz DBTSJTFFGCSIAA-RNFRBKRXSA-N -1 0 307.314 -0.761 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H](CO)C2CCCC2)c(-c2nnn[n-]2)c1=O ZINC001581748394 1020844271 /nfs/dbraw/zinc/84/42/71/1020844271.db2.gz ZXMXZFZVIRDCED-QMMMGPOBSA-N -1 0 321.341 -0.371 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H]2CC[C@@H](CO)CC2)c(-c2nnn[n-]2)c1=O ZINC001581747793 1020844603 /nfs/dbraw/zinc/84/46/03/1020844603.db2.gz VNZMWZFWZXFERW-OCAPTIKFSA-N -1 0 321.341 -0.371 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](CN(C)C(=O)CC(N)=O)C2)c1[O-] ZINC001581789208 1020847612 /nfs/dbraw/zinc/84/76/12/1020847612.db2.gz SEBWUBVYUVGDTK-VIFPVBQESA-N -1 0 323.353 -0.780 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)C2=COCCO2)c1[O-] ZINC001510436417 1020848528 /nfs/dbraw/zinc/84/85/28/1020848528.db2.gz LWHIHCRBALKLBW-MRVPVSSYSA-N -1 0 324.337 -0.111 20 0 DBADRM Cn1cncc1CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001581818301 1020849781 /nfs/dbraw/zinc/84/97/81/1020849781.db2.gz OEOAWXFIFIMOEU-UHFFFAOYSA-N -1 0 303.286 -0.988 20 0 DBADRM NC(=O)[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001581888177 1020855081 /nfs/dbraw/zinc/85/50/81/1020855081.db2.gz YUMQTVFVKLFXHK-JTQLQIEISA-N -1 0 314.284 -0.144 20 0 DBADRM NC(=O)N1CCC[C@H]1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001581896408 1020856525 /nfs/dbraw/zinc/85/65/25/1020856525.db2.gz XIGYFXLQAGUOCS-JTQLQIEISA-N -1 0 317.309 -0.180 20 0 DBADRM NC(=O)NC(=O)Cn1cc(-c2nnn[n-]2)c2ccccc2c1=O ZINC001581896876 1020857606 /nfs/dbraw/zinc/85/76/06/1020857606.db2.gz RGSAJOQRBBSOCO-UHFFFAOYSA-N -1 0 313.277 -0.624 20 0 DBADRM O=C(CC1CC1)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001581970003 1020864779 /nfs/dbraw/zinc/86/47/79/1020864779.db2.gz KDRUUBPDAZULNH-UHFFFAOYSA-N -1 0 314.353 -0.061 20 0 DBADRM O=C(CCCF)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001582045490 1020871140 /nfs/dbraw/zinc/87/11/40/1020871140.db2.gz WYPBRAVGJMZCFO-UHFFFAOYSA-N -1 0 320.332 -0.111 20 0 DBADRM O=C(CCCc1nnn[n-]1)NOc1cccc(-c2nn[nH]n2)c1 ZINC001582048792 1020871228 /nfs/dbraw/zinc/87/12/28/1020871228.db2.gz KNZFLTJGYFCJCV-UHFFFAOYSA-N -1 0 315.297 -0.187 20 0 DBADRM O=C(CCc1ccc(-c2nn[nH]n2)cc1)N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001582057471 1020872515 /nfs/dbraw/zinc/87/25/15/1020872515.db2.gz HOQSUIWBYLCTLX-CLLJXQQHSA-N -1 0 317.349 -0.200 20 0 DBADRM O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NC1CCCC1 ZINC001582083916 1020874539 /nfs/dbraw/zinc/87/45/39/1020874539.db2.gz ZKGRYTXJMZHLOG-UHFFFAOYSA-N -1 0 319.325 -0.422 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC1(C)C ZINC001510677730 1020876196 /nfs/dbraw/zinc/87/61/96/1020876196.db2.gz DZBBKFDMSPEVDQ-SFYZADRCSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C(CN1C[C@H](O)[C@H](CO)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001582098791 1020876663 /nfs/dbraw/zinc/87/66/63/1020876663.db2.gz YVQFEQYFWLIMHA-JQWIXIFHSA-N -1 0 318.337 -0.910 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001510683340 1020877289 /nfs/dbraw/zinc/87/72/89/1020877289.db2.gz YNGFMKXFAVPLAP-GJMOJQLCSA-N -1 0 309.326 -0.485 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)N1C[C@H](O)[C@H](CO)C1 ZINC001582129168 1020878937 /nfs/dbraw/zinc/87/89/37/1020878937.db2.gz WCJRQWXXMIGSMX-JQWIXIFHSA-N -1 0 319.321 -0.943 20 0 DBADRM O=C(COCc1cc[nH]c(=O)c1)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001582125902 1020879324 /nfs/dbraw/zinc/87/93/24/1020879324.db2.gz BMYFUOQFHPVSND-UHFFFAOYSA-N -1 0 316.281 -0.154 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001510717874 1020880104 /nfs/dbraw/zinc/88/01/04/1020880104.db2.gz ZCLYPQJXHCLSOM-YIZRAAEISA-N -1 0 311.342 -0.692 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC[C@H](O)C1CCCC1 ZINC001582199213 1020884889 /nfs/dbraw/zinc/88/48/89/1020884889.db2.gz FOGGFZLFNSSAEJ-JTQLQIEISA-N -1 0 320.357 -0.484 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@@H](CCO)CC1 ZINC001582198395 1020885087 /nfs/dbraw/zinc/88/50/87/1020885087.db2.gz ZFRSHYAXVIQBTD-SNVBAGLBSA-N -1 0 320.357 -0.531 20 0 DBADRM O=C(N[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)C1CC1)C1CC1 ZINC001582224909 1020887170 /nfs/dbraw/zinc/88/71/70/1020887170.db2.gz RVAYAIMJTYGJKL-JTQLQIEISA-N -1 0 314.353 -0.205 20 0 DBADRM O=C(NC[C@H](O)c1c[nH]cn1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001582380775 1020893935 /nfs/dbraw/zinc/89/39/35/1020893935.db2.gz DDQQBRKCYQSYBO-NSHDSACASA-N -1 0 315.293 -0.241 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)C(C)(F)F)c1[O-] ZINC001510829319 1020896598 /nfs/dbraw/zinc/89/65/98/1020896598.db2.gz ZFKSEEXTTVUGQQ-LURJTMIESA-N -1 0 306.269 -0.714 20 0 DBADRM O=C(NCCCNc1ccnc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001582507575 1020900310 /nfs/dbraw/zinc/90/03/10/1020900310.db2.gz QYWSQCMFDBXRIW-SECBINFHSA-N -1 0 318.341 -0.824 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CC=CC1 ZINC001582518086 1020900737 /nfs/dbraw/zinc/90/07/37/1020900737.db2.gz MLQQTRJSBKFPIY-SNVBAGLBSA-N -1 0 323.353 -0.334 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001582528572 1020906216 /nfs/dbraw/zinc/90/62/16/1020906216.db2.gz BAJXKBGNUWPUBW-KXUCPTDWSA-N -1 0 317.357 -0.054 20 0 DBADRM O=C(NCc1nnn[n-]1)c1[nH]c2ccccc2c1-c1nn[nH]n1 ZINC001582559542 1020911008 /nfs/dbraw/zinc/91/10/08/1020911008.db2.gz IMWMQFXMLOMOFS-UHFFFAOYSA-N -1 0 310.281 -0.209 20 0 DBADRM O=C(Nc1cc(F)cc(-c2nn[nH]n2)c1)c1n[nH]c(=O)[n-]c1=O ZINC001582635152 1020914441 /nfs/dbraw/zinc/91/44/41/1020914441.db2.gz CQSCSLXOOQPHJZ-UHFFFAOYSA-N -1 0 318.228 -0.146 20 0 DBADRM C/C=C(\C)C(=O)NC[C@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001582786823 1020922483 /nfs/dbraw/zinc/92/24/83/1020922483.db2.gz PIQIOBFRCIEESH-OTVCUZDGSA-N -1 0 323.353 -0.237 20 0 DBADRM C/C=C(/C)C(=O)NC[C@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001582786822 1020923227 /nfs/dbraw/zinc/92/32/27/1020923227.db2.gz PIQIOBFRCIEESH-KSXVILFYSA-N -1 0 323.353 -0.237 20 0 DBADRM O=c1[n-]c([C@@H]2CCCN(c3nnccc3-c3nn[nH]n3)C2)n[nH]1 ZINC001582808990 1020927710 /nfs/dbraw/zinc/92/77/10/1020927710.db2.gz OQUKEOACXQFGNQ-SSDOTTSWSA-N -1 0 314.313 -0.136 20 0 DBADRM C/C=C(/C)C(=O)N(C)CCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001582942606 1020943913 /nfs/dbraw/zinc/94/39/13/1020943913.db2.gz MCDFXKQYTQWUJE-POHAHGRESA-N -1 0 322.365 -0.018 20 0 DBADRM CC(C)(F)C(=O)NC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001583016039 1020962308 /nfs/dbraw/zinc/96/23/08/1020962308.db2.gz QIYRIWCSPBVJDG-ARJAWSKDSA-N -1 0 315.305 -0.774 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)CC(=O)N(C)C)c1[O-] ZINC001584087994 1021011396 /nfs/dbraw/zinc/01/13/96/1021011396.db2.gz PUUBFRFJMOZDOX-ZETCQYMHSA-N -1 0 311.342 -0.863 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001511182581 1021027308 /nfs/dbraw/zinc/02/73/08/1021027308.db2.gz VLOJSTADBFQWMH-WPRPVWTQSA-N -1 0 311.342 -0.405 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2cn(C[C@@H]3CCOC3)nn2)C(=O)N1C ZINC001585143860 1021048336 /nfs/dbraw/zinc/04/83/36/1021048336.db2.gz XBOVOPJHRSTTQL-IUCAKERBSA-N -1 0 322.325 -0.758 20 0 DBADRM CC(=CC(=O)N1CCO[C@H](c2nnn[n-]2)C1)c1cnccn1 ZINC001585183083 1021049695 /nfs/dbraw/zinc/04/96/95/1021049695.db2.gz FXGCCWUIXZEVAD-LAHYYIKRSA-N -1 0 301.310 -0.007 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001585183248 1021049713 /nfs/dbraw/zinc/04/97/13/1021049713.db2.gz IETBYSFIHPIDFN-LURJTMIESA-N -1 0 323.338 -0.494 20 0 DBADRM CC(=CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1)c1cnccn1 ZINC001585183084 1021049933 /nfs/dbraw/zinc/04/99/33/1021049933.db2.gz FXGCCWUIXZEVAD-OALRPVAKSA-N -1 0 301.310 -0.007 20 0 DBADRM COC(=O)c1ccn(CC(=O)[N-]OCCN2CCCC2=O)n1 ZINC001586069605 1021072000 /nfs/dbraw/zinc/07/20/00/1021072000.db2.gz UEFPCDSWGRRELM-UHFFFAOYSA-N -1 0 310.310 -0.660 20 0 DBADRM COCCOCCc1nc(C(=O)[N-]n2ccc(=O)[nH]c2=O)c[nH]1 ZINC001586190961 1021074188 /nfs/dbraw/zinc/07/41/88/1021074188.db2.gz CLERFHILPNBCJA-UHFFFAOYSA-N -1 0 323.309 -0.739 20 0 DBADRM CCCCOCCOCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001587136639 1021082366 /nfs/dbraw/zinc/08/23/66/1021082366.db2.gz ORSLRKZHSINEEK-UHFFFAOYSA-N -1 0 300.315 -0.154 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1cc(=O)c2ccccc2[nH]1 ZINC001587956209 1021085028 /nfs/dbraw/zinc/08/50/28/1021085028.db2.gz JKFSYMLBNOKYEV-UHFFFAOYSA-N -1 0 315.289 -0.153 20 0 DBADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1ccnn1C)CN1CCOCC1 ZINC001588481633 1021102389 /nfs/dbraw/zinc/10/23/89/1021102389.db2.gz YPHYRVQSVCKQKP-CFRMROPGSA-N -1 0 322.365 -0.060 20 0 DBADRM CC(=O)N1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])[C@H](C)C1 ZINC001588495586 1021106277 /nfs/dbraw/zinc/10/62/77/1021106277.db2.gz MXBOIRZHEUIWHZ-NXEZZACHSA-N -1 0 313.354 -0.755 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001588501893 1021106633 /nfs/dbraw/zinc/10/66/33/1021106633.db2.gz KGLDEGDPSICAQX-MNOVXSKESA-N -1 0 311.338 -0.953 20 0 DBADRM CC(=O)N1CCC[C@H](Cn2nnnc2N2CC[C@H](C(=O)[O-])C2)C1 ZINC001588494114 1021106907 /nfs/dbraw/zinc/10/69/07/1021106907.db2.gz HANGAUWBLRYXTB-RYUDHWBXSA-N -1 0 322.369 -0.158 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001588495904 1021107074 /nfs/dbraw/zinc/10/70/74/1021107074.db2.gz ZKKXZAPNXLPRDA-UHFFFAOYSA-N -1 0 324.333 -0.359 20 0 DBADRM CC(=O)N1CC[C@@H](n2nnnc2N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001588496628 1021107326 /nfs/dbraw/zinc/10/73/26/1021107326.db2.gz MBCSKJXCVKOXEC-GHMZBOCLSA-N -1 0 308.342 -0.233 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H](C)[C@@H]1CCC(=O)N1)[C@@H](C)C(=O)[O-] ZINC001588501372 1021107430 /nfs/dbraw/zinc/10/74/30/1021107430.db2.gz DOOCKMGLNAKZLS-YWVKMMECSA-N -1 0 313.354 -0.661 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001588492414 1021107545 /nfs/dbraw/zinc/10/75/45/1021107545.db2.gz HTJNIVIBYDPBRG-AWEZNQCLSA-N -1 0 316.354 -0.521 20 0 DBADRM CC(=O)N1C[C@@H]2CN(C(=O)Nc3ccn(CC(=O)[O-])n3)C[C@@H]2C1 ZINC001588498274 1021107679 /nfs/dbraw/zinc/10/76/79/1021107679.db2.gz LJQPWVIPQKDJKY-PHIMTYICSA-N -1 0 321.337 -0.090 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1nnc(C)o1)[C@@H](C)C(=O)[O-] ZINC001588506081 1021108254 /nfs/dbraw/zinc/10/82/54/1021108254.db2.gz BOTDOSUGCSEANU-QMMMGPOBSA-N -1 0 312.326 -0.252 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)Cc1ccno1 ZINC001588508549 1021108421 /nfs/dbraw/zinc/10/84/21/1021108421.db2.gz LYDMOWFJIMHIOP-QMMMGPOBSA-N -1 0 319.339 -0.584 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001588502375 1021108737 /nfs/dbraw/zinc/10/87/37/1021108737.db2.gz QKGBQFSNVNSGIY-WDEREUQCSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(=O)NC1(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)CCCC1 ZINC001588502911 1021108833 /nfs/dbraw/zinc/10/88/33/1021108833.db2.gz GJSZKNIVAAFGGU-JTQLQIEISA-N -1 0 312.322 -0.336 20 0 DBADRM CC(=O)NCCCCCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001588502712 1021109319 /nfs/dbraw/zinc/10/93/19/1021109319.db2.gz XISCDVYRRVMYID-LLVKDONJSA-N -1 0 306.384 -0.524 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001588514945 1021110284 /nfs/dbraw/zinc/11/02/84/1021110284.db2.gz ORGONFLAHITKGQ-UHFFFAOYSA-N -1 0 322.321 -0.249 20 0 DBADRM CC(=O)NC[C@H](O)CN(C)C(=O)c1n[n-]c2ccccc2c1=O ZINC001511626436 1021110368 /nfs/dbraw/zinc/11/03/68/1021110368.db2.gz FQFHVLAHBCSRLS-JTQLQIEISA-N -1 0 318.333 -0.096 20 0 DBADRM CC(=O)NCCN(C(=O)c1nc(C)ns1)[C@H](C)C(=O)[O-] ZINC001588509080 1021111501 /nfs/dbraw/zinc/11/15/01/1021111501.db2.gz VOWPIBUJKODOCG-ZCFIWIBFSA-N -1 0 300.340 -0.102 20 0 DBADRM CC(=O)NCCN(CC(=O)NCc1ccccn1)[C@@H](C)C(=O)[O-] ZINC001588512986 1021111738 /nfs/dbraw/zinc/11/17/38/1021111738.db2.gz GGNPNLDGJDIYNM-NSHDSACASA-N -1 0 322.365 -0.391 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)n1cccn1 ZINC001588545383 1021113667 /nfs/dbraw/zinc/11/36/67/1021113667.db2.gz RWIQPVIKQSWNMZ-DCAQKATOSA-N -1 0 308.338 -0.118 20 0 DBADRM CC(=O)c1ncc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)s1 ZINC001588535387 1021113773 /nfs/dbraw/zinc/11/37/73/1021113773.db2.gz NXGDIIJDSYUQHL-UHFFFAOYSA-N -1 0 311.319 -0.285 20 0 DBADRM C[C@H]([C@@H](C)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC001588551006 1021114794 /nfs/dbraw/zinc/11/47/94/1021114794.db2.gz MNCNJUKOOXPJOG-DNJQJEMRSA-N -1 0 319.379 -0.385 20 0 DBADRM C[C@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)N1CCN(C)CC1 ZINC001588551157 1021114870 /nfs/dbraw/zinc/11/48/70/1021114870.db2.gz WCRSNFPTUOWGKI-LALPHHSUSA-N -1 0 311.382 -0.818 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C1CCOCC1 ZINC001588550916 1021114919 /nfs/dbraw/zinc/11/49/19/1021114919.db2.gz HGNGPTSICHUVQX-MWLCHTKSSA-N -1 0 319.379 -0.241 20 0 DBADRM C[C@@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)N1C(=O)CCC1=O ZINC001588550721 1021115104 /nfs/dbraw/zinc/11/51/04/1021115104.db2.gz DQIJYSGZEYUMFS-ATEUNZGCSA-N -1 0 310.306 -0.917 20 0 DBADRM C[C@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)n1cnc2c1ncnc2N ZINC001588551039 1021115116 /nfs/dbraw/zinc/11/51/16/1021115116.db2.gz OEMHEOGASATUFX-HTQZYQBOSA-N -1 0 320.309 -0.719 20 0 DBADRM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)NCCC(=O)[O-] ZINC001588552580 1021115415 /nfs/dbraw/zinc/11/54/15/1021115415.db2.gz VFHWVZYZCYFVDN-MRVPVSSYSA-N -1 0 301.343 -0.661 20 0 DBADRM C[C@H](C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)N1CCSCC1 ZINC001588550919 1021115974 /nfs/dbraw/zinc/11/59/74/1021115974.db2.gz HJCBPBZMVCEYNN-SUNKGSAMSA-N -1 0 314.407 -0.017 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001588573095 1021116801 /nfs/dbraw/zinc/11/68/01/1021116801.db2.gz VTZCLKODINLXNR-QMMMGPOBSA-N -1 0 302.327 -0.195 20 0 DBADRM C[C@H](C(=O)[O-])N(C1CC1)S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001588590875 1021116937 /nfs/dbraw/zinc/11/69/37/1021116937.db2.gz BBMONZFATVOUOE-MWLCHTKSSA-N -1 0 306.384 -0.416 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001588573094 1021118045 /nfs/dbraw/zinc/11/80/45/1021118045.db2.gz VTZCLKODINLXNR-MRVPVSSYSA-N -1 0 302.327 -0.195 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)c1ccc(S(N)(=O)=O)cn1)C1CC1 ZINC001588589129 1021118210 /nfs/dbraw/zinc/11/82/10/1021118210.db2.gz GVCKBWQXJGVUGO-SSDOTTSWSA-N -1 0 313.335 -0.193 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(N2C(=O)[C@@H]3[C@H](O)CCCN3C2=O)n1 ZINC001588619925 1021119325 /nfs/dbraw/zinc/11/93/25/1021119325.db2.gz INMPVCIALFDFQI-SCZZXKLOSA-N -1 0 322.321 -0.005 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)Cn2cccnc2=O)cn1 ZINC001588620184 1021119353 /nfs/dbraw/zinc/11/93/53/1021119353.db2.gz OJZVXXJPZGGPOD-UHFFFAOYSA-N -1 0 305.294 -0.102 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(N2C(=O)[C@H]3[C@@H](O)CCCN3C2=O)n1 ZINC001588619926 1021119767 /nfs/dbraw/zinc/11/97/67/1021119767.db2.gz INMPVCIALFDFQI-WCBMZHEXSA-N -1 0 322.321 -0.005 20 0 DBADRM C[C@H](C(=O)OCC(=O)C(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC001588607624 1021120103 /nfs/dbraw/zinc/12/01/03/1021120103.db2.gz WGTHZHUDCHIXPV-SSDOTTSWSA-N -1 0 312.278 -0.564 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NC/C=C/CO)n1 ZINC001588620353 1021120963 /nfs/dbraw/zinc/12/09/63/1021120963.db2.gz QUGIQNQOFBGRKZ-ONEGZZNKSA-N -1 0 310.310 -0.694 20 0 DBADRM CC(C)(C(=O)OCC(=O)NCC(=O)[O-])S(=O)(=O)C1CC1 ZINC001588624918 1021120998 /nfs/dbraw/zinc/12/09/98/1021120998.db2.gz BDYQJMQCYNHHGY-UHFFFAOYSA-N -1 0 307.324 -0.914 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C[C@@H]2CC(=O)NC2=O)n1 ZINC001588621919 1021122297 /nfs/dbraw/zinc/12/22/97/1021122297.db2.gz QXKFOUROEVAQOP-SSDOTTSWSA-N -1 0 308.294 -0.306 20 0 DBADRM C=CC(=O)N(CC)CC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001588654732 1021122937 /nfs/dbraw/zinc/12/29/37/1021122937.db2.gz JVDQYIMSKAJUNA-CQSZACIVSA-N -1 0 308.338 -0.123 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001588655061 1021124017 /nfs/dbraw/zinc/12/40/17/1021124017.db2.gz NVSRDKZKCSETOM-SNVBAGLBSA-N -1 0 321.337 -0.216 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)COC(=O)C1(C(=O)[O-])CCC1 ZINC001588660689 1021124986 /nfs/dbraw/zinc/12/49/86/1021124986.db2.gz FKKBNISBKLTNKT-UHFFFAOYSA-N -1 0 314.338 -0.185 20 0 DBADRM CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NCCN2CC(=O)[O-] ZINC001588676544 1021125701 /nfs/dbraw/zinc/12/57/01/1021125701.db2.gz NRXZMBYYDDIKAO-UHFFFAOYSA-N -1 0 313.354 -0.118 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001588665495 1021125840 /nfs/dbraw/zinc/12/58/40/1021125840.db2.gz LGQPCDKSEWZINF-DTORHVGOSA-N -1 0 321.399 -0.133 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)[O-])CC1 ZINC001588686361 1021126226 /nfs/dbraw/zinc/12/62/26/1021126226.db2.gz KTWYYUVMXZFIRT-UHFFFAOYSA-N -1 0 315.326 -0.734 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(N)=O ZINC001588738273 1021128653 /nfs/dbraw/zinc/12/86/53/1021128653.db2.gz IFJVHXRCHXBZTK-WCBMZHEXSA-N -1 0 313.354 -0.674 20 0 DBADRM CC(C)(CNC(=O)c1cc(C(=O)[O-])n[nH]1)NS(C)(=O)=O ZINC001588783508 1021129975 /nfs/dbraw/zinc/12/99/75/1021129975.db2.gz AKBQZEJYEYJWNU-UHFFFAOYSA-N -1 0 304.328 -0.835 20 0 DBADRM CC(C)(CNC(=O)C1(C(=O)[O-])CC=CC1)CS(N)(=O)=O ZINC001588779971 1021130794 /nfs/dbraw/zinc/13/07/94/1021130794.db2.gz QUHSJGOVHPZYAD-UHFFFAOYSA-N -1 0 304.368 -0.162 20 0 DBADRM CC(C)(CNC(=O)[C@]1(C(=O)[O-])CCCO1)[C@@]1(O)CCOC1 ZINC001588779352 1021130952 /nfs/dbraw/zinc/13/09/52/1021130952.db2.gz DTCSGSTZMQLACN-KGLIPLIRSA-N -1 0 301.339 -0.086 20 0 DBADRM CC(C)(C)n1nnnc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001588755013 1021131027 /nfs/dbraw/zinc/13/10/27/1021131027.db2.gz XBYSGZXPASKPRN-MRVPVSSYSA-N -1 0 317.371 -0.888 20 0 DBADRM CC(C)(CCCO)CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001588768515 1021131085 /nfs/dbraw/zinc/13/10/85/1021131085.db2.gz UXIPWOLNHQGHFQ-JTQLQIEISA-N -1 0 316.354 -0.787 20 0 DBADRM CC(C)(CNC(=O)[C@@]1(C(=O)[O-])CCCO1)[C@@]1(O)CCOC1 ZINC001588779356 1021131580 /nfs/dbraw/zinc/13/15/80/1021131580.db2.gz DTCSGSTZMQLACN-ZIAGYGMSSA-N -1 0 301.339 -0.086 20 0 DBADRM CC(C)(O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001588796201 1021132260 /nfs/dbraw/zinc/13/22/60/1021132260.db2.gz WJGHPSWQSFVOGP-MXWKQRLJSA-N -1 0 312.366 -0.025 20 0 DBADRM CC(=O)CN(CC(C)C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001588797127 1021132817 /nfs/dbraw/zinc/13/28/17/1021132817.db2.gz YRSVBJCSHUZUOB-UHFFFAOYSA-N -1 0 306.330 -0.468 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)OCC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001588812643 1021134459 /nfs/dbraw/zinc/13/44/59/1021134459.db2.gz GZRXXOFVPXDAKO-PSASIEDQSA-N -1 0 306.336 -0.110 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC001588805402 1021134498 /nfs/dbraw/zinc/13/44/98/1021134498.db2.gz WKKDXDOHHGMSHX-ITMYJUKJSA-N -1 0 311.338 -0.162 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCCc1nnc2n1CCNC2=O ZINC001588807883 1021134589 /nfs/dbraw/zinc/13/45/89/1021134589.db2.gz JZBHZMFKIGMQPT-SECBINFHSA-N -1 0 309.326 -0.963 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC001588803834 1021135340 /nfs/dbraw/zinc/13/53/40/1021135340.db2.gz JIDNMINKFHSRRN-PUUHTONNSA-N -1 0 311.338 -0.020 20 0 DBADRM CC(C)[C@@H](C)NC(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001588815129 1021135462 /nfs/dbraw/zinc/13/54/62/1021135462.db2.gz CXNVPKNZFVQQDX-ZJUUUORDSA-N -1 0 306.384 -0.669 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC001588803168 1021135621 /nfs/dbraw/zinc/13/56/21/1021135621.db2.gz NZUZDNUNIRLHDV-GIPWTMENSA-N -1 0 304.412 -0.134 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1)C(=O)[O-] ZINC001588823037 1021136703 /nfs/dbraw/zinc/13/67/03/1021136703.db2.gz HTDUTGZVEHZQCI-HBNTYKKESA-N -1 0 313.354 -0.358 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)C(=O)[O-] ZINC001588815604 1021137448 /nfs/dbraw/zinc/13/74/48/1021137448.db2.gz SUDCLUZUHLXBGS-RJRAAQABSA-N -1 0 324.377 -0.001 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)C(=O)[O-] ZINC001588815603 1021137679 /nfs/dbraw/zinc/13/76/79/1021137679.db2.gz SUDCLUZUHLXBGS-MCDVFOBDSA-N -1 0 324.377 -0.001 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCc1nnc2n1CCOC2)C(=O)[O-] ZINC001588824890 1021139063 /nfs/dbraw/zinc/13/90/63/1021139063.db2.gz FLBPNLBELVFFSM-SECBINFHSA-N -1 0 311.342 -0.036 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N(C)CCCC(=O)[O-] ZINC001588843164 1021141847 /nfs/dbraw/zinc/14/18/47/1021141847.db2.gz BWMQVUUAGHTWEF-SNVBAGLBSA-N -1 0 315.370 -0.284 20 0 DBADRM CC(C)C[C@]1(C(=O)Nc2ncn(CC(=O)[O-])n2)CCNC1=O ZINC001588860866 1021145327 /nfs/dbraw/zinc/14/53/27/1021145327.db2.gz LTWCAAOEPAOIDJ-CYBMUJFWSA-N -1 0 309.326 -0.146 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N(CCN(C)C)CC(=O)[O-] ZINC001588880492 1021147179 /nfs/dbraw/zinc/14/71/79/1021147179.db2.gz RDPGTFXRQRKULK-UHFFFAOYSA-N -1 0 308.400 -0.468 20 0 DBADRM CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)COCC(=O)[O-] ZINC001588912780 1021149140 /nfs/dbraw/zinc/14/91/40/1021149140.db2.gz RUGXDXRNBDETLH-SECBINFHSA-N -1 0 304.368 -0.144 20 0 DBADRM CC(=O)[C@H]1CC[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001588888932 1021149938 /nfs/dbraw/zinc/14/99/38/1021149938.db2.gz IQSRVDZEZUUAPQ-MGCOHNPYSA-N -1 0 318.341 -0.278 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001588920349 1021151035 /nfs/dbraw/zinc/15/10/35/1021151035.db2.gz ILCADXBRVJYXCF-UHFFFAOYSA-N -1 0 318.355 -0.742 20 0 DBADRM CC(C)NS(=O)(=O)N1CCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC001588927516 1021152236 /nfs/dbraw/zinc/15/22/36/1021152236.db2.gz PZDBFWXOSMZQRV-UHFFFAOYSA-N -1 0 319.383 -0.762 20 0 DBADRM CC(C)O[C@]1(CNC(=O)C(=O)N(C)CCC(=O)[O-])CCOC1 ZINC001588928943 1021153012 /nfs/dbraw/zinc/15/30/12/1021153012.db2.gz KFKDBMXWXLSAFF-AWEZNQCLSA-N -1 0 316.354 -0.380 20 0 DBADRM C[C@H](C(=O)N(C)CCCCCO)n1cnc(-c2nnn[n-]2)n1 ZINC001588939774 1021155647 /nfs/dbraw/zinc/15/56/47/1021155647.db2.gz GHZKGSDBTUBWGY-SECBINFHSA-N -1 0 308.346 -0.360 20 0 DBADRM CC(C)OCCS(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001588935653 1021155925 /nfs/dbraw/zinc/15/59/25/1021155925.db2.gz UEUGCHWBIKAFAC-JQWIXIFHSA-N -1 0 307.368 -0.226 20 0 DBADRM C[C@H](C(=O)N(C)C[C@H]1CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588940478 1021156109 /nfs/dbraw/zinc/15/61/09/1021156109.db2.gz PVHVVUWCAWBZNT-RKDXNWHRSA-N -1 0 306.330 -0.486 20 0 DBADRM C/C(=C\C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])c1cnccn1 ZINC001588938369 1021158293 /nfs/dbraw/zinc/15/82/93/1021158293.db2.gz CZDXRTARQMAMIR-VKJYCEFSSA-N -1 0 302.294 -0.259 20 0 DBADRM C[C@@H](C(=O)N(C)C[C@H]1CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588940474 1021158307 /nfs/dbraw/zinc/15/83/07/1021158307.db2.gz PVHVVUWCAWBZNT-DTWKUNHWSA-N -1 0 306.330 -0.486 20 0 DBADRM C[C@@H](C(=O)N1CC(C(C)(C)O)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588944906 1021158635 /nfs/dbraw/zinc/15/86/35/1021158635.db2.gz GEPMAPKVFRLGPF-ZETCQYMHSA-N -1 0 306.330 -0.752 20 0 DBADRM CC(C)[C@@H](CO)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588943333 1021158886 /nfs/dbraw/zinc/15/88/86/1021158886.db2.gz XDRLGGDZCWZJCZ-GHMZBOCLSA-N -1 0 315.370 -0.232 20 0 DBADRM C[C@@H](C(=O)N1CC[C@]12CCOC2)n1cnc(-c2nnn[n-]2)n1 ZINC001588952748 1021162938 /nfs/dbraw/zinc/16/29/38/1021162938.db2.gz XVIZCLUHUWAUNG-QPUJVOFHSA-N -1 0 304.314 -0.589 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588958735 1021164173 /nfs/dbraw/zinc/16/41/73/1021164173.db2.gz VBEFSVNPTPQRMJ-PWSUYJOCSA-N -1 0 313.354 -0.661 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H]1C(C)(C)O)n1cnc(-c2nnn[n-]2)n1 ZINC001588954022 1021165380 /nfs/dbraw/zinc/16/53/80/1021165380.db2.gz FEGVKAYPVYYUTG-IUCAKERBSA-N -1 0 320.357 -0.219 20 0 DBADRM C[C@H](C(=O)N1CC2(C1)CCOCC2)n1cnc(-c2nnn[n-]2)n1 ZINC001588949068 1021165534 /nfs/dbraw/zinc/16/55/34/1021165534.db2.gz RORABXNXQJKTJO-SECBINFHSA-N -1 0 318.341 -0.342 20 0 DBADRM C[C@H](C[C@H](C)NC(=O)C(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001512192943 1021166949 /nfs/dbraw/zinc/16/69/49/1021166949.db2.gz HRXHCCUGUFZPFX-UHNVWZDZSA-N -1 0 319.268 -0.439 20 0 DBADRM C[C@H](C(=O)N[C@H](CO)C1CCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588970517 1021168627 /nfs/dbraw/zinc/16/86/27/1021168627.db2.gz KLJZXBBWAHBJOM-VXNVDRBHSA-N -1 0 306.330 -0.704 20 0 DBADRM C/C(=C\CNC(=O)N(C)C[C@H](O)CN1CCOCC1)C(=O)[O-] ZINC001588966959 1021168680 /nfs/dbraw/zinc/16/86/80/1021168680.db2.gz NRKTVARKUJCBOL-JPOQUURFSA-N -1 0 315.370 -0.648 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588977080 1021170496 /nfs/dbraw/zinc/17/04/96/1021170496.db2.gz COECGICEUXCCCB-DTWKUNHWSA-N -1 0 317.357 -0.628 20 0 DBADRM CC(C)n1[nH]cnc1=NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001588988393 1021172453 /nfs/dbraw/zinc/17/24/53/1021172453.db2.gz HCYRJEMOHHZZOV-ZDUSSCGKSA-N -1 0 309.326 -0.457 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCOC1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588984371 1021172696 /nfs/dbraw/zinc/17/26/96/1021172696.db2.gz ZVNFSMNFWXNQSD-RKDXNWHRSA-N -1 0 320.357 -0.050 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC001588993306 1021172922 /nfs/dbraw/zinc/17/29/22/1021172922.db2.gz MXKYRCPYYSASLY-MRVPVSSYSA-N -1 0 318.293 -0.420 20 0 DBADRM C[C@@H](C(=O)NCC1(C)CCOCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588978246 1021173258 /nfs/dbraw/zinc/17/32/58/1021173258.db2.gz IIYLTMHLQRLGCO-VIFPVBQESA-N -1 0 320.357 -0.048 20 0 DBADRM C[C@@H](C(=O)NCC(=O)C1CCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588978685 1021174256 /nfs/dbraw/zinc/17/42/56/1021174256.db2.gz IJYMNRRCUGZFNO-QMMMGPOBSA-N -1 0 318.341 -0.105 20 0 DBADRM C[C@@H](C(=O)NC[C@H](O)C1CCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588978756 1021175818 /nfs/dbraw/zinc/17/58/18/1021175818.db2.gz LHTZPHIAKJBKJI-CBAPKCEASA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@@H](C(=O)NCCCC(C)(C)CO)n1cnc(-c2nnn[n-]2)n1 ZINC001588990566 1021176489 /nfs/dbraw/zinc/17/64/89/1021176489.db2.gz UFMHQMLONUVADZ-VIFPVBQESA-N -1 0 322.373 -0.066 20 0 DBADRM C[C@H](C(=O)NCC1(C)CCOCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588978244 1021176526 /nfs/dbraw/zinc/17/65/26/1021176526.db2.gz IIYLTMHLQRLGCO-SECBINFHSA-N -1 0 320.357 -0.048 20 0 DBADRM CC(C)n1[nH]cnc1=NC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001588988552 1021176674 /nfs/dbraw/zinc/17/66/74/1021176674.db2.gz RMHRQHHVTIVYGL-JTQLQIEISA-N -1 0 323.353 -0.067 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC001588993145 1021176689 /nfs/dbraw/zinc/17/66/89/1021176689.db2.gz MACXNSHIJWFRQD-SSDOTTSWSA-N -1 0 321.289 -0.065 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001588997989 1021179442 /nfs/dbraw/zinc/17/94/42/1021179442.db2.gz GTPZPTYXFWRPPM-OPRDCNLKSA-N -1 0 321.399 -0.133 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC001588997351 1021179758 /nfs/dbraw/zinc/17/97/58/1021179758.db2.gz BLRWUBOQCWCYLW-WPRPVWTQSA-N -1 0 309.326 -0.312 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC001588993634 1021180010 /nfs/dbraw/zinc/18/00/10/1021180010.db2.gz FKKPZPVINQDCAC-SSDOTTSWSA-N -1 0 305.294 -0.740 20 0 DBADRM CC(=O)C[C@H]1COCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001589030291 1021182103 /nfs/dbraw/zinc/18/21/03/1021182103.db2.gz HVZLYEPUMRLPJW-NSHDSACASA-N -1 0 322.317 -0.247 20 0 DBADRM C[C@H](C(=O)OC[C@@H]1CN(C)C(=O)O1)n1cnc(-c2nnn[n-]2)n1 ZINC001589025816 1021182392 /nfs/dbraw/zinc/18/23/92/1021182392.db2.gz FLMMITXTHJPWRY-RQJHMYQMSA-N -1 0 322.285 -0.987 20 0 DBADRM CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@](C)(CO)C(=O)[O-] ZINC001589024336 1021183620 /nfs/dbraw/zinc/18/36/20/1021183620.db2.gz KLLPFPLSLAKVHY-CZUORRHYSA-N -1 0 322.361 -0.272 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001589024921 1021184797 /nfs/dbraw/zinc/18/47/97/1021184797.db2.gz FICRCRPRXZRILZ-YFKPBYRVSA-N -1 0 301.284 -0.447 20 0 DBADRM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)n1cnc(-c2nnn[n-]2)n1 ZINC001589006679 1021185111 /nfs/dbraw/zinc/18/51/11/1021185111.db2.gz MWYQRPFYDZKANP-BGZDPUMWSA-N -1 0 304.314 -0.545 20 0 DBADRM CC(=O)N(C)CC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001589042163 1021186096 /nfs/dbraw/zinc/18/60/96/1021186096.db2.gz JYAICYHJHHTXKX-UHFFFAOYSA-N -1 0 309.326 -0.382 20 0 DBADRM CC(=O)N1CC[C@H](CN(C)C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001589063872 1021186549 /nfs/dbraw/zinc/18/65/49/1021186549.db2.gz WFJSIYBPXJRRNY-LLVKDONJSA-N -1 0 308.338 -0.092 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)OCCn2cc(C(=O)[O-])nn2)C1 ZINC001589060912 1021187859 /nfs/dbraw/zinc/18/78/59/1021187859.db2.gz BUIRRBDUOIWOKB-ZDUSSCGKSA-N -1 0 310.310 -0.222 20 0 DBADRM C[C@@H](C(=O)OCc1ccn(C)n1)n1cnc(-c2nnn[n-]2)n1 ZINC001589030972 1021188958 /nfs/dbraw/zinc/18/89/58/1021188958.db2.gz RHWLCQZUQIPHJV-ZETCQYMHSA-N -1 0 303.286 -0.504 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])C1 ZINC001589060907 1021189691 /nfs/dbraw/zinc/18/96/91/1021189691.db2.gz BRGFIISCOMXCPY-GXFFZTMASA-N -1 0 309.326 -0.894 20 0 DBADRM CC(=O)N1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1 ZINC001589086624 1021190325 /nfs/dbraw/zinc/19/03/25/1021190325.db2.gz CIZOGDSYPFWVDF-HUBLWGQQSA-N -1 0 310.350 -0.053 20 0 DBADRM CC(=O)N1CCC(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1 ZINC001589065251 1021190882 /nfs/dbraw/zinc/19/08/82/1021190882.db2.gz OSUVSWKMBYQNDP-PWSUYJOCSA-N -1 0 313.354 -0.526 20 0 DBADRM CC(=O)N1CCO[C@H](C(=O)N2CCSC[C@@H]2C(=O)[O-])C1 ZINC001589087360 1021191847 /nfs/dbraw/zinc/19/18/47/1021191847.db2.gz VNRANLVEPILXMY-ZJUUUORDSA-N -1 0 302.352 -0.738 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1 ZINC001589079246 1021192097 /nfs/dbraw/zinc/19/20/97/1021192097.db2.gz AAHMJEUHHOBNKS-LLVKDONJSA-N -1 0 311.338 -1.000 20 0 DBADRM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC001589087933 1021192533 /nfs/dbraw/zinc/19/25/33/1021192533.db2.gz YGCPIUAWWANHIU-SNVBAGLBSA-N -1 0 313.335 -0.321 20 0 DBADRM CC(C)(C)C[C@H](O)CC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589118124 1021194126 /nfs/dbraw/zinc/19/41/26/1021194126.db2.gz BQYZXXSPHKUASD-SECBINFHSA-N -1 0 322.373 -0.238 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NCC(=O)NCC(=O)[O-])c1ccccc1 ZINC001589111537 1021194389 /nfs/dbraw/zinc/19/43/89/1021194389.db2.gz VGASRTAMUUAJLU-LBPRGKRZSA-N -1 0 321.333 -0.429 20 0 DBADRM CC(=O)NC1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001589121419 1021194574 /nfs/dbraw/zinc/19/45/74/1021194574.db2.gz RCWWSHWJSMDSHJ-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM CC(=O)N[C@@H]1CCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001589121212 1021194699 /nfs/dbraw/zinc/19/46/99/1021194699.db2.gz LUNKPSQKZMFLQS-SSDOTTSWSA-N -1 0 319.364 -0.260 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)Cn2nc(C(=O)[O-])ccc2=O)C1 ZINC001589119251 1021196155 /nfs/dbraw/zinc/19/61/55/1021196155.db2.gz ADNMJURFBXUDMY-JTQLQIEISA-N -1 0 322.321 -0.931 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001589119894 1021196362 /nfs/dbraw/zinc/19/63/62/1021196362.db2.gz JXTFKRSJLMLJJZ-GARJFASQSA-N -1 0 311.338 -0.955 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001589105770 1021196673 /nfs/dbraw/zinc/19/66/73/1021196673.db2.gz OKYMTVSZVSVDQI-QMMMGPOBSA-N -1 0 309.326 -0.336 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001589093514 1021197208 /nfs/dbraw/zinc/19/72/08/1021197208.db2.gz CGDCNVDKJPTLOX-IVZWLZJFSA-N -1 0 302.352 -0.798 20 0 DBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@H](C)C(=O)[O-])c2C1 ZINC001589130176 1021198278 /nfs/dbraw/zinc/19/82/78/1021198278.db2.gz PSXRTKQUIJCYLW-SCZZXKLOSA-N -1 0 308.338 -0.216 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001589127755 1021199633 /nfs/dbraw/zinc/19/96/33/1021199633.db2.gz NMVSDFBYOOTHAN-UHFFFAOYSA-N -1 0 321.333 -0.818 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CCO1 ZINC001589133620 1021200104 /nfs/dbraw/zinc/20/01/04/1021200104.db2.gz YNYPISIRGJLEOP-NWDGAFQWSA-N -1 0 311.338 -0.294 20 0 DBADRM CC(C)(C)NC(=O)NC(=O)Cn1cc(-c2nnn[n-]2)ccc1=O ZINC001589141222 1021200587 /nfs/dbraw/zinc/20/05/87/1021200587.db2.gz MPJZGHNMQHPQBD-UHFFFAOYSA-N -1 0 319.325 -0.347 20 0 DBADRM CC(=O)NCCNC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589144055 1021200704 /nfs/dbraw/zinc/20/07/04/1021200704.db2.gz TYTIBJCFYYJKOO-JTQLQIEISA-N -1 0 324.341 -0.541 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001589127753 1021201482 /nfs/dbraw/zinc/20/14/82/1021201482.db2.gz NMALTBCBFPBLKP-SSDOTTSWSA-N -1 0 312.278 -0.166 20 0 DBADRM CC(=O)Nc1nc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])cs1 ZINC001589223383 1021202332 /nfs/dbraw/zinc/20/23/32/1021202332.db2.gz SQBSKCOIGMLAMG-YFKPBYRVSA-N -1 0 315.307 -0.152 20 0 DBADRM CC(=O)N[C@@H](CS[C@@H](C)C(=O)NC[C@@H]1CCCO1)C(=O)[O-] ZINC001589157306 1021202397 /nfs/dbraw/zinc/20/23/97/1021202397.db2.gz KVKUAYZDXVABEN-LSJOCFKGSA-N -1 0 318.395 -0.007 20 0 DBADRM CC(=O)OCCCS(=O)(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001589229493 1021202976 /nfs/dbraw/zinc/20/29/76/1021202976.db2.gz USHZTDUQWGVKDN-GHMZBOCLSA-N -1 0 323.367 -0.404 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)Cc1cn(C(C)C)nn1)C(=O)[O-] ZINC001589156745 1021203584 /nfs/dbraw/zinc/20/35/84/1021203584.db2.gz VVUMDTUZIQVHOS-WVDJIFEKSA-N -1 0 302.356 -0.303 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)Cc1cc(C)nc(C)n1)C(=O)[O-] ZINC001589155314 1021204130 /nfs/dbraw/zinc/20/41/30/1021204130.db2.gz FEMAJRVIYYFTDW-NSHDSACASA-N -1 0 315.351 -0.402 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001589229749 1021205515 /nfs/dbraw/zinc/20/55/15/1021205515.db2.gz VTXVNTSKABIBDQ-LBPRGKRZSA-N -1 0 323.367 -0.117 20 0 DBADRM CC1(C)COC(=O)[C@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589232261 1021205802 /nfs/dbraw/zinc/20/58/02/1021205802.db2.gz PWDACFPQWIRXCQ-JGVFFNPUSA-N -1 0 306.340 -0.679 20 0 DBADRM CC1(C)COC(=O)[C@@H]1OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589232386 1021205849 /nfs/dbraw/zinc/20/58/49/1021205849.db2.gz TYWMHIHRKLJDMV-WPRPVWTQSA-N -1 0 313.306 -0.196 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001589229996 1021205938 /nfs/dbraw/zinc/20/59/38/1021205938.db2.gz ZQQYHBDABPPXLS-SECBINFHSA-N -1 0 311.381 -0.229 20 0 DBADRM CC(=O)c1cn(CC(=O)NCc2ccc(C(=O)[O-])cn2)nn1 ZINC001589318617 1021207712 /nfs/dbraw/zinc/20/77/12/1021207712.db2.gz LOVWVPRHKRSHID-UHFFFAOYSA-N -1 0 303.278 -0.110 20 0 DBADRM C[C@H](C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-])S(C)(=O)=O ZINC001589381219 1021227454 /nfs/dbraw/zinc/22/74/54/1021227454.db2.gz OMIAVGYRMDADRD-LDYMZIIASA-N -1 0 303.340 -0.724 20 0 DBADRM CC(=O)c1cn(CC(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)nn1 ZINC001589318559 1021210419 /nfs/dbraw/zinc/21/04/19/1021210419.db2.gz JAUCZAMRBXIPBD-JTQLQIEISA-N -1 0 324.293 -0.901 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)NC[C@H]1C[C@H]1C(=O)[O-])n1cccn1 ZINC001589336119 1021212397 /nfs/dbraw/zinc/21/23/97/1021212397.db2.gz DTTNSMOVVVUHFS-HBNTYKKESA-N -1 0 308.338 -0.261 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC001589336142 1021213277 /nfs/dbraw/zinc/21/32/77/1021213277.db2.gz FCTWAOBBXSIMLX-MRVPVSSYSA-N -1 0 308.356 -0.984 20 0 DBADRM C[C@H](C(=O)N(C)CCNc1ccnc(C(=O)[O-])n1)n1cccn1 ZINC001589339487 1021213741 /nfs/dbraw/zinc/21/37/41/1021213741.db2.gz BBBDTPJZBUYNJW-SNVBAGLBSA-N -1 0 318.337 -0.075 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001589338091 1021214807 /nfs/dbraw/zinc/21/48/07/1021214807.db2.gz ZTEYUFQCRNQEIT-ACZMJKKPSA-N -1 0 314.310 -0.652 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(CCO)CC1 ZINC001589350090 1021214842 /nfs/dbraw/zinc/21/48/42/1021214842.db2.gz NTDFCZFUVHJUPJ-LBPRGKRZSA-N -1 0 313.398 -0.692 20 0 DBADRM C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-])N1CCNCC1=O ZINC001589346777 1021215428 /nfs/dbraw/zinc/21/54/28/1021215428.db2.gz VEKBHVZCTZSOSY-BLFANLJRSA-N -1 0 309.366 -0.482 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-])n1ccnc1 ZINC001589364530 1021220616 /nfs/dbraw/zinc/22/06/16/1021220616.db2.gz HTTBYDYELAYRAP-ZJUUUORDSA-N -1 0 315.351 -0.456 20 0 DBADRM C[C@H](C(=O)N1CCN(CC(=O)[O-])CC1)[C@@H](C)S(C)(=O)=O ZINC001589360141 1021220879 /nfs/dbraw/zinc/22/08/79/1021220879.db2.gz HJGIQLFISKEHEO-VHSXEESVSA-N -1 0 306.384 -0.716 20 0 DBADRM C[C@@H](C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1)n1cncn1 ZINC001589357196 1021220905 /nfs/dbraw/zinc/22/09/05/1021220905.db2.gz WIWAUHOBPWKGSZ-VIFPVBQESA-N -1 0 319.325 -0.008 20 0 DBADRM C[C@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])n1cnc2c1ncnc2N ZINC001589360193 1021221127 /nfs/dbraw/zinc/22/11/27/1021221127.db2.gz IZSRKWUNRWTJKR-HTQZYQBOSA-N -1 0 320.309 -0.719 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-])n1ccnc1 ZINC001589364527 1021221894 /nfs/dbraw/zinc/22/18/94/1021221894.db2.gz HTTBYDYELAYRAP-NXEZZACHSA-N -1 0 315.351 -0.456 20 0 DBADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])C1CCOCC1)N1CCN(C)CC1 ZINC001589376346 1021222419 /nfs/dbraw/zinc/22/24/19/1021222419.db2.gz YOSVEMQPGVZZMZ-WCQYABFASA-N -1 0 313.398 -0.382 20 0 DBADRM C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001589376827 1021223711 /nfs/dbraw/zinc/22/37/11/1021223711.db2.gz ZZMLGKFDOLZYCL-KWQFWETISA-N -1 0 313.354 -0.479 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])c1ccncc1 ZINC001589364517 1021224092 /nfs/dbraw/zinc/22/40/92/1021224092.db2.gz HREXEZWIMLXUCP-ONGXEEELSA-N -1 0 312.347 -0.105 20 0 DBADRM C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)N1CCNCC1=O ZINC001589378565 1021224201 /nfs/dbraw/zinc/22/42/01/1021224201.db2.gz NHVJAWFFAAYNBA-MEDUHNTESA-N -1 0 319.361 -0.077 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)[C@H]1CCC(=O)N1 ZINC001589356277 1021224275 /nfs/dbraw/zinc/22/42/75/1021224275.db2.gz ISDUCUHFJQWDAN-IVZWLZJFSA-N -1 0 321.337 -0.336 20 0 DBADRM C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC001589373130 1021225133 /nfs/dbraw/zinc/22/51/33/1021225133.db2.gz BCZKUTVDQSXWLT-SDBXPKJASA-N -1 0 301.343 -0.479 20 0 DBADRM C[C@H](C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)N1C(=O)CCC1=O ZINC001589352969 1021225823 /nfs/dbraw/zinc/22/58/23/1021225823.db2.gz RDCCFDUOUCKZDG-PRHODGIISA-N -1 0 312.322 -0.792 20 0 DBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001589398435 1021227170 /nfs/dbraw/zinc/22/71/70/1021227170.db2.gz PDUHAANNGNDWRR-ZMLRMANQSA-N -1 0 309.366 -0.482 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC([C@H](O)c2ccnn2C)CC1 ZINC001589397951 1021227269 /nfs/dbraw/zinc/22/72/69/1021227269.db2.gz WVBBHORNISGCIX-HZMBPMFUSA-N -1 0 324.381 -0.245 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1)S(C)(=O)=O ZINC001589397411 1021230149 /nfs/dbraw/zinc/23/01/49/1021230149.db2.gz CYSBWJHQPNSSFS-SUIRZZFNSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1)S(C)(=O)=O ZINC001589397409 1021233599 /nfs/dbraw/zinc/23/35/99/1021233599.db2.gz CYSBWJHQPNSSFS-PSHCNPEKSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@H](C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-])S(C)(=O)=O ZINC001589389299 1021233838 /nfs/dbraw/zinc/23/38/38/1021233838.db2.gz XUKMOCDMPJJWHF-SCZZXKLOSA-N -1 0 300.336 -0.373 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC(OC(=O)N(C)C)CC1 ZINC001589397340 1021233875 /nfs/dbraw/zinc/23/38/75/1021233875.db2.gz RNDCYBILVKXKOU-VIFPVBQESA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(c2ccnc(F)c2)CC1 ZINC001589400631 1021238319 /nfs/dbraw/zinc/23/83/19/1021238319.db2.gz OJLVUKCWYHPOHF-JTQLQIEISA-N -1 0 310.329 -0.068 20 0 DBADRM C[C@@H](C(=O)NCCNc1ccnc(C(=O)[O-])n1)[C@@H]1CCCO1 ZINC001589409570 1021239793 /nfs/dbraw/zinc/23/97/93/1021239793.db2.gz GMIIZNPZGZBQQR-ZJUUUORDSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@H](C(=O)NCCNc1ccnc(C(=O)[O-])n1)[C@H]1CCC(=O)N1 ZINC001589409790 1021239831 /nfs/dbraw/zinc/23/98/31/1021239831.db2.gz IYRXXBLFKYGMGM-DTWKUNHWSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O)N1C(=O)CCC1=O ZINC001589428401 1021244180 /nfs/dbraw/zinc/24/41/80/1021244180.db2.gz FKTUKXZQOYVKOR-LURJTMIESA-N -1 0 307.262 -0.039 20 0 DBADRM CC(C)[C@H](CO)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589459406 1021245474 /nfs/dbraw/zinc/24/54/74/1021245474.db2.gz CHHKOHOODQKCHE-IUCAKERBSA-N -1 0 308.346 -0.600 20 0 DBADRM C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@](O)(C(=O)[O-])C1 ZINC001589434954 1021246114 /nfs/dbraw/zinc/24/61/14/1021246114.db2.gz ACDSXLCGRRADMD-RFAUZJTJSA-N -1 0 321.333 -0.366 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001589690870 1021280474 /nfs/dbraw/zinc/28/04/74/1021280474.db2.gz HNUBFKWLSFFQKY-KOLCDFICSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)c1nc(N)nc(N(C)C)n1)C1CCC1 ZINC001589479171 1021250539 /nfs/dbraw/zinc/25/05/39/1021250539.db2.gz QVQQLEDZLXKRTC-SSDOTTSWSA-N -1 0 308.342 -0.012 20 0 DBADRM CC(C)[C@H](O)CCn1cnc2ncc(-c3nnn[n-]3)c(=O)n21 ZINC001589479593 1021253452 /nfs/dbraw/zinc/25/34/52/1021253452.db2.gz FSVXAABGCUCDMI-SECBINFHSA-N -1 0 304.314 -0.522 20 0 DBADRM CC(C)CCOCCNC(=O)Cn1cc(-c2nnn[n-]2)nn1 ZINC001589606742 1021259148 /nfs/dbraw/zinc/25/91/48/1021259148.db2.gz FYELWOMDRXEIRP-UHFFFAOYSA-N -1 0 308.346 -0.363 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001589553782 1021261424 /nfs/dbraw/zinc/26/14/24/1021261424.db2.gz QWBXEPMILPVYFQ-RKDXNWHRSA-N -1 0 317.367 -0.139 20 0 DBADRM CC(C)C[C@H](CO)N(C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001589562746 1021262965 /nfs/dbraw/zinc/26/29/65/1021262965.db2.gz MADXMFVGAUORGH-SECBINFHSA-N -1 0 308.346 -0.676 20 0 DBADRM C[C@@H](C(=O)OC(C)(C)C)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001589539714 1021263443 /nfs/dbraw/zinc/26/34/43/1021263443.db2.gz FQNJMONWRAXEAK-RKDXNWHRSA-N -1 0 314.338 -0.234 20 0 DBADRM CC(C)(C(=O)NC[C@]1(C(=O)[O-])CCOC1)N1CCOCC1 ZINC001589570966 1021264095 /nfs/dbraw/zinc/26/40/95/1021264095.db2.gz QNYWSIUWEYGCQL-CQSZACIVSA-N -1 0 300.355 -0.295 20 0 DBADRM CC(C)C[C@@H](CO)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589653390 1021264911 /nfs/dbraw/zinc/26/49/11/1021264911.db2.gz LMHDPRJYWRAVNB-BDAKNGLRSA-N -1 0 308.346 -0.458 20 0 DBADRM CC(C)C[C@@H](CO)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589653365 1021274725 /nfs/dbraw/zinc/27/47/25/1021274725.db2.gz JWWYJSFLFWRZKF-VIFPVBQESA-N -1 0 323.361 -0.836 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2O)cn1 ZINC001589661035 1021275484 /nfs/dbraw/zinc/27/54/84/1021275484.db2.gz ZTBQJQCHPAIKHY-NXEZZACHSA-N -1 0 324.337 -0.329 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N[C@@H](CF)C(=O)[O-])C1 ZINC001589689531 1021276358 /nfs/dbraw/zinc/27/63/58/1021276358.db2.gz GQHLBXRKCQDXCP-DTWKUNHWSA-N -1 0 304.318 -0.201 20 0 DBADRM CC(C)(C(N)=O)C(=O)OCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001589681819 1021277292 /nfs/dbraw/zinc/27/72/92/1021277292.db2.gz HDDJVXZJBASFMS-UHFFFAOYSA-N -1 0 309.278 -0.227 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@H](C(=O)N[C@@H](CF)C(=O)[O-])C1 ZINC001589689532 1021278690 /nfs/dbraw/zinc/27/86/90/1021278690.db2.gz GQHLBXRKCQDXCP-IUCAKERBSA-N -1 0 304.318 -0.201 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001589689783 1021280006 /nfs/dbraw/zinc/28/00/06/1021280006.db2.gz ABQYKQFCOYOANJ-UHFFFAOYSA-N -1 0 323.353 -0.135 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)NCC2(CO)COC2)cn1 ZINC001589666552 1021281438 /nfs/dbraw/zinc/28/14/38/1021281438.db2.gz VCVSLPGUQMIQLP-UHFFFAOYSA-N -1 0 312.326 -0.167 20 0 DBADRM CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001589692719 1021282824 /nfs/dbraw/zinc/28/28/24/1021282824.db2.gz BYCYUYSNWPUVJB-UWVGGRQHSA-N -1 0 300.355 -0.310 20 0 DBADRM CC(C)(C)C(=O)C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001589685239 1021283375 /nfs/dbraw/zinc/28/33/75/1021283375.db2.gz WDZJSIZYWHEZRJ-NXEZZACHSA-N -1 0 310.350 -0.103 20 0 DBADRM CC(C)(C(N)=O)C(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001589682385 1021283539 /nfs/dbraw/zinc/28/35/39/1021283539.db2.gz WKVCPFNXLUHHMA-UHFFFAOYSA-N -1 0 321.337 -0.831 20 0 DBADRM CC(C)N1CC(=O)N(CCn2cnc(-c3nnn[n-]3)n2)C1=O ZINC001589708905 1021285653 /nfs/dbraw/zinc/28/56/53/1021285653.db2.gz RHLVYNZUHUDRGJ-UHFFFAOYSA-N -1 0 305.302 -0.869 20 0 DBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001589717931 1021290112 /nfs/dbraw/zinc/29/01/12/1021290112.db2.gz UNUIDABOOTYKHY-DTWKUNHWSA-N -1 0 311.342 -0.395 20 0 DBADRM CC(C)c1nn(C)cc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001589777522 1021298820 /nfs/dbraw/zinc/29/88/20/1021298820.db2.gz DKFWBVURHMVYQB-UHFFFAOYSA-N -1 0 316.329 -0.046 20 0 DBADRM CC(C)OCC(C)(C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001589746592 1021299929 /nfs/dbraw/zinc/29/99/29/1021299929.db2.gz WOTRVXBLCRCIHU-UHFFFAOYSA-N -1 0 308.346 -0.222 20 0 DBADRM CC(C)[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)(C)O ZINC001589764129 1021300691 /nfs/dbraw/zinc/30/06/91/1021300691.db2.gz VNURLAUZOGUKKC-IUCAKERBSA-N -1 0 322.373 -0.069 20 0 DBADRM CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001589740935 1021301461 /nfs/dbraw/zinc/30/14/61/1021301461.db2.gz SDXXQRMSPRTPGW-UWVGGRQHSA-N -1 0 312.366 -0.167 20 0 DBADRM CC(C)(C)CC(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001589740947 1021302665 /nfs/dbraw/zinc/30/26/65/1021302665.db2.gz SSBWSDFOKCIJLF-SECBINFHSA-N -1 0 310.354 -0.078 20 0 DBADRM CC(C)n1nccc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001589785761 1021302897 /nfs/dbraw/zinc/30/28/97/1021302897.db2.gz YBXGJKOMLFSYFX-UHFFFAOYSA-N -1 0 302.302 -0.126 20 0 DBADRM CC(C)c1nc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c[nH]1 ZINC001589776321 1021304670 /nfs/dbraw/zinc/30/46/70/1021304670.db2.gz XEBAAZZIRQYRCK-UHFFFAOYSA-N -1 0 316.329 -0.379 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)CC(C)(C)O)n1cnc(-c2nnn[n-]2)n1 ZINC001589796431 1021306415 /nfs/dbraw/zinc/30/64/15/1021306415.db2.gz MEGMVVUONIICHA-JGVFFNPUSA-N -1 0 308.346 -0.315 20 0 DBADRM C[C@H](CC(C)(C)O)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589796430 1021309452 /nfs/dbraw/zinc/30/94/52/1021309452.db2.gz MEGMVVUONIICHA-HTQZYQBOSA-N -1 0 308.346 -0.315 20 0 DBADRM CC(C)(C)N1C[C@@H](C(=O)NCCn2cc(C(=O)[O-])nn2)CC1=O ZINC001589796586 1021311463 /nfs/dbraw/zinc/31/14/63/1021311463.db2.gz UMHPHTFRKVGULH-VIFPVBQESA-N -1 0 323.353 -0.261 20 0 DBADRM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)cn1)c1nnn[n-]1 ZINC001589841084 1021315407 /nfs/dbraw/zinc/31/54/07/1021315407.db2.gz PTLJQNPFDTZDCQ-ZETCQYMHSA-N -1 0 314.313 -0.350 20 0 DBADRM C[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cn1)C(=O)[O-] ZINC001589858974 1021319620 /nfs/dbraw/zinc/31/96/20/1021319620.db2.gz JKYZVYXEZGTKEQ-ZETCQYMHSA-N -1 0 305.298 -0.218 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NCCOCC(=O)[O-])C1 ZINC001589857032 1021322287 /nfs/dbraw/zinc/32/22/87/1021322287.db2.gz CZLGVDOTZYRCKV-SECBINFHSA-N -1 0 316.310 -0.310 20 0 DBADRM C[C@@H](CO)CCCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589887221 1021324628 /nfs/dbraw/zinc/32/46/28/1021324628.db2.gz PNFVYGQTDAGJFW-SECBINFHSA-N -1 0 323.361 -0.834 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CC(=O)[O-] ZINC001589865943 1021327852 /nfs/dbraw/zinc/32/78/52/1021327852.db2.gz ILGUWAHODRAPOR-QMMMGPOBSA-N -1 0 321.351 -0.572 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1CN(Cn2cnc(C(=O)[O-])n2)CCO1 ZINC001589865463 1021327939 /nfs/dbraw/zinc/32/79/39/1021327939.db2.gz BBDIARYHLOMJGN-VIFPVBQESA-N -1 0 312.326 -0.024 20 0 DBADRM C[C@H](Cn1cccn1)OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589903417 1021331149 /nfs/dbraw/zinc/33/11/49/1021331149.db2.gz BTHKONBVBDGPAP-BDAKNGLRSA-N -1 0 317.313 -0.152 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)c1cnn(C)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001589917230 1021336290 /nfs/dbraw/zinc/33/62/90/1021336290.db2.gz CWHYWQHZQGKBKP-JGVFFNPUSA-N -1 0 316.329 -0.370 20 0 DBADRM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1cn[nH]c1 ZINC001589918879 1021337054 /nfs/dbraw/zinc/33/70/54/1021337054.db2.gz OFKLGMLCCZYDEG-BQBZGAKWSA-N -1 0 302.302 -0.380 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CC(C(=O)[O-])C2)C1 ZINC001589928702 1021339162 /nfs/dbraw/zinc/33/91/62/1021339162.db2.gz IWJIZTYUUJRFIU-UHFFFAOYSA-N -1 0 300.311 -0.489 20 0 DBADRM C[C@@](O)(CNc1nc2ccccn2c1-c1nn[nH]n1)C(=O)[O-] ZINC001589989170 1021347205 /nfs/dbraw/zinc/34/72/05/1021347205.db2.gz AAAASTLNMZTAMF-GFCCVEGCSA-N -1 0 303.282 -0.238 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C1(CO)CC1 ZINC001589976827 1021347757 /nfs/dbraw/zinc/34/77/57/1021347757.db2.gz WDGHIECDKCRXBF-ZETCQYMHSA-N -1 0 313.339 -0.101 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)s1)C(=O)[O-] ZINC001589976773 1021348049 /nfs/dbraw/zinc/34/80/49/1021348049.db2.gz VOFYBVLLEUXMEH-BYPYZUCNSA-N -1 0 303.325 -0.320 20 0 DBADRM C[C@H](O)[C@H]1CCCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001589994634 1021351181 /nfs/dbraw/zinc/35/11/81/1021351181.db2.gz HABUTCXPHMVAGS-DTWKUNHWSA-N -1 0 306.330 -0.780 20 0 DBADRM C[C@@H](O)[C@H]1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001589996069 1021351945 /nfs/dbraw/zinc/35/19/45/1021351945.db2.gz PREXWLWNCSFHNX-BDAKNGLRSA-N -1 0 324.366 -0.347 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC001590065542 1021373094 /nfs/dbraw/zinc/37/30/94/1021373094.db2.gz VKKRORQEKCVTGB-IUCAKERBSA-N -1 0 318.326 -0.816 20 0 DBADRM C[C@H](c1nc(-c2cnn(C)c2)no1)n1cnc(-c2nnn[n-]2)n1 ZINC001590054911 1021376518 /nfs/dbraw/zinc/37/65/18/1021376518.db2.gz VTUIAPQOGPYUFU-ZCFIWIBFSA-N -1 0 313.285 -0.149 20 0 DBADRM C[C@]1(C(=O)NCCNc2ccnc(-c3nnn[n-]3)n2)C=CCC1 ZINC001590068430 1021380190 /nfs/dbraw/zinc/38/01/90/1021380190.db2.gz WUWYOXZAGUOETI-AWEZNQCLSA-N -1 0 314.353 -0.037 20 0 DBADRM CC1(C)[C@@H](O)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590076982 1021381582 /nfs/dbraw/zinc/38/15/82/1021381582.db2.gz IRTBXMSPLZEDGJ-QMMMGPOBSA-N -1 0 313.339 -0.006 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NCC(=O)[O-] ZINC001590098485 1021381946 /nfs/dbraw/zinc/38/19/46/1021381946.db2.gz YUSSYEFJFVOUMO-UWVGGRQHSA-N -1 0 313.354 -0.119 20 0 DBADRM CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001590105521 1021382180 /nfs/dbraw/zinc/38/21/80/1021382180.db2.gz IYVWAIKSCSFCGQ-RGOKHQFPSA-N -1 0 314.338 -0.054 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)COCC(=O)[O-])CO1 ZINC001590092194 1021382929 /nfs/dbraw/zinc/38/29/29/1021382929.db2.gz KESFWFVFNIZLBC-MRVPVSSYSA-N -1 0 304.299 -0.245 20 0 DBADRM C[C@@]1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCCCO1 ZINC001590070074 1021385227 /nfs/dbraw/zinc/38/52/27/1021385227.db2.gz NJFQAODGIKWOCX-LBPRGKRZSA-N -1 0 306.330 -0.466 20 0 DBADRM CC1(C)COC[C@H]1NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001590111988 1021389522 /nfs/dbraw/zinc/38/95/22/1021389522.db2.gz UFBUDCKQGNSQSV-SECBINFHSA-N -1 0 324.366 -0.035 20 0 DBADRM C[C@@]1(C2CC2)COCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590122254 1021390183 /nfs/dbraw/zinc/39/01/83/1021390183.db2.gz RZJOASBGGBSZHO-ZDUSSCGKSA-N -1 0 318.341 -0.514 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001590150415 1021396499 /nfs/dbraw/zinc/39/64/99/1021396499.db2.gz JSHAUHUQTZAMHE-UHFFFAOYSA-N -1 0 317.342 -0.392 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2ccc(-c3nn[nH]n3)s2)C(=O)N1C ZINC001590165261 1021406641 /nfs/dbraw/zinc/40/66/41/1021406641.db2.gz KVZMQWCCUXZEAI-YFKPBYRVSA-N -1 0 321.322 -0.145 20 0 DBADRM CC(C)(C)OC(=O)NCC[C@@H](O)Cn1nnc(CC(=O)[O-])n1 ZINC001590184154 1021423448 /nfs/dbraw/zinc/42/34/48/1021423448.db2.gz AUGFKWFNRORVOC-MRVPVSSYSA-N -1 0 315.330 -0.424 20 0 DBADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590218387 1021430918 /nfs/dbraw/zinc/43/09/18/1021430918.db2.gz KFKGUEOSQWUKOD-DOLQZWNJSA-N -1 0 302.342 -0.134 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001590206536 1021431575 /nfs/dbraw/zinc/43/15/75/1021431575.db2.gz MDCCHRPEZICAHR-CIUDSAMLSA-N -1 0 302.327 -0.149 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H]1CCOC1=O ZINC001590247112 1021432916 /nfs/dbraw/zinc/43/29/16/1021432916.db2.gz TTZHBGNLPQWFSA-YUMQZZPRSA-N -1 0 316.310 -0.214 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H](C)[C@H]1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001590264062 1021436365 /nfs/dbraw/zinc/43/63/65/1021436365.db2.gz PYDQNLOERLANAH-IWSPIJDZSA-N -1 0 306.330 -0.752 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N1CCOCCN1 ZINC001590237194 1021436388 /nfs/dbraw/zinc/43/63/88/1021436388.db2.gz OHHJKRCOOCJHLB-VIFPVBQESA-N -1 0 317.342 -0.282 20 0 DBADRM C[C@H]1CC[C@@H](CCC(=O)NCCn2cnc(-c3nnn[n-]3)n2)O1 ZINC001590227729 1021436785 /nfs/dbraw/zinc/43/67/85/1021436785.db2.gz BVVLSUWYZVJCOS-UWVGGRQHSA-N -1 0 320.357 -0.078 20 0 DBADRM C[C@@H]1CCCCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001590257539 1021438586 /nfs/dbraw/zinc/43/85/86/1021438586.db2.gz VLPAEXRMLPJDLL-MRVPVSSYSA-N -1 0 305.342 -0.357 20 0 DBADRM C[C@@H](C(=O)NN1CCCC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590257792 1021438887 /nfs/dbraw/zinc/43/88/87/1021438887.db2.gz ZGZHWSQWSMBHKG-BDAKNGLRSA-N -1 0 305.346 -0.075 20 0 DBADRM C[C@@H]1CCC[C@H](C)N1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590243960 1021439377 /nfs/dbraw/zinc/43/93/77/1021439377.db2.gz OPMWTBQJHSVKRL-DTORHVGOSA-N -1 0 305.346 -0.248 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@H](C2CC2)O1 ZINC001590291120 1021444941 /nfs/dbraw/zinc/44/49/41/1021444941.db2.gz JLRFJNQVNTXIEG-PSASIEDQSA-N -1 0 318.341 -0.516 20 0 DBADRM C[C@H]1CO[C@H](C(=O)NCCNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590320914 1021454365 /nfs/dbraw/zinc/45/43/65/1021454365.db2.gz AQGFBABSDFKLMG-BDAKNGLRSA-N -1 0 318.341 -0.968 20 0 DBADRM C[C@H](C(=O)N[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590333136 1021461250 /nfs/dbraw/zinc/46/12/50/1021461250.db2.gz BZFIAEQLUQASMP-HOTMZDKISA-N -1 0 320.357 -0.053 20 0 DBADRM C[C@H]1COCC[C@@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590324647 1021461918 /nfs/dbraw/zinc/46/19/18/1021461918.db2.gz PHQABPVCVUKIPZ-BQBZGAKWSA-N -1 0 307.314 -0.497 20 0 DBADRM C[C@@H]1CSC[C@H]1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590327885 1021465979 /nfs/dbraw/zinc/46/59/79/1021465979.db2.gz ADAAKNWKKSUODQ-HTQZYQBOSA-N -1 0 323.386 -0.491 20 0 DBADRM C[C@H](C(=O)OC[C@@H]1CCO[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590337014 1021470864 /nfs/dbraw/zinc/47/08/64/1021470864.db2.gz LETCYJKOEMKCEA-VGMNWLOBSA-N -1 0 307.314 -0.013 20 0 DBADRM C[C@@H](C(=O)OC[C@H]1CCO[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590337016 1021473818 /nfs/dbraw/zinc/47/38/18/1021473818.db2.gz LETCYJKOEMKCEA-XHNCKOQMSA-N -1 0 307.314 -0.013 20 0 DBADRM C[C@@H]1OCC[C@]1(C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590335840 1021474859 /nfs/dbraw/zinc/47/48/59/1021474859.db2.gz OUHSPWRVVVFGNT-UFBFGSQYSA-N -1 0 321.345 -0.675 20 0 DBADRM CC[C@@H](C)[C@@H](NCCn1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC001590400833 1021487265 /nfs/dbraw/zinc/48/72/65/1021487265.db2.gz VBWOTQYSECUILD-RKDXNWHRSA-N -1 0 308.346 -0.365 20 0 DBADRM CC/C(C)=C/C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001590388674 1021487508 /nfs/dbraw/zinc/48/75/08/1021487508.db2.gz LFXPSTJJDOBAAU-CMDGGOBGSA-N -1 0 302.342 -0.037 20 0 DBADRM CC[C@H](C)[C@@H](O)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590400435 1021487572 /nfs/dbraw/zinc/48/75/72/1021487572.db2.gz QBMULCKTSJRNLK-IUCAKERBSA-N -1 0 323.361 -0.836 20 0 DBADRM CC(C)(C)[S@@](=O)CCNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001590426292 1021488152 /nfs/dbraw/zinc/48/81/52/1021488152.db2.gz OMFMJHWTRAEWJH-FQEVSTJZSA-N -1 0 302.356 -0.360 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001590422656 1021489390 /nfs/dbraw/zinc/48/93/90/1021489390.db2.gz QSAVHISSCFFRMQ-SCZZXKLOSA-N -1 0 307.368 -0.364 20 0 DBADRM CC[C@@H](C)NC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590414534 1021490683 /nfs/dbraw/zinc/49/06/83/1021490683.db2.gz LFBFFCCZOFWHEM-SSDOTTSWSA-N -1 0 307.314 -0.566 20 0 DBADRM CC(C)(C)OCc1cc(C(=O)NCC(=O)NCC(=O)[O-])no1 ZINC001590396410 1021491066 /nfs/dbraw/zinc/49/10/66/1021491066.db2.gz SLCKKNFGKLMBCR-UHFFFAOYSA-N -1 0 313.310 -0.080 20 0 DBADRM CC[C@@H](C)[C@@H](O)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590400433 1021492021 /nfs/dbraw/zinc/49/20/21/1021492021.db2.gz QBMULCKTSJRNLK-BDAKNGLRSA-N -1 0 323.361 -0.836 20 0 DBADRM CC[C@H](F)C(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001590456361 1021497699 /nfs/dbraw/zinc/49/76/99/1021497699.db2.gz NQYMSAIITFFEMK-QMMMGPOBSA-N -1 0 308.321 -0.043 20 0 DBADRM CC[C@H](COC)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001590448787 1021498284 /nfs/dbraw/zinc/49/82/84/1021498284.db2.gz ODINMRXZQVWXMH-MRVPVSSYSA-N -1 0 312.355 -0.035 20 0 DBADRM CC[C@@H](COC)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590449086 1021498751 /nfs/dbraw/zinc/49/87/51/1021498751.db2.gz QWULDVDFONRZBK-QMMMGPOBSA-N -1 0 309.334 -0.818 20 0 DBADRM CC[C@@]1(Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CCOC1 ZINC001590497273 1021508438 /nfs/dbraw/zinc/50/84/38/1021508438.db2.gz GCAFMSMBFKXWFC-GFCCVEGCSA-N -1 0 307.314 -0.353 20 0 DBADRM CC[C@@H]1CN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001590517794 1021512777 /nfs/dbraw/zinc/51/27/77/1021512777.db2.gz QMIRHQRJVWDLPH-IWSPIJDZSA-N -1 0 306.330 -0.752 20 0 DBADRM CC[C@H]1CCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001590512746 1021513214 /nfs/dbraw/zinc/51/32/14/1021513214.db2.gz JZSGCHJHFULBQC-VIFPVBQESA-N -1 0 319.369 -0.110 20 0 DBADRM CCCC(=O)NC/C=C/CNc1ccnc(-c2nnn[n-]2)n1 ZINC001590537920 1021518100 /nfs/dbraw/zinc/51/81/00/1021518100.db2.gz DPXFEVDJNGQXEL-ONEGZZNKSA-N -1 0 302.342 -0.037 20 0 DBADRM CCC/C=C\[C@@H](O)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590568349 1021519956 /nfs/dbraw/zinc/51/99/56/1021519956.db2.gz CQRGBUSOVQOFSQ-XRVBUDJMSA-N -1 0 306.330 -0.708 20 0 DBADRM CCCCC(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001590570317 1021521507 /nfs/dbraw/zinc/52/15/07/1021521507.db2.gz RZSISIQTRZGEQJ-UHFFFAOYSA-N -1 0 319.325 -0.298 20 0 DBADRM CCCCN(CCO)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590600937 1021522888 /nfs/dbraw/zinc/52/28/88/1021522888.db2.gz DXJQTDNFCLJQJP-SECBINFHSA-N -1 0 308.346 -0.360 20 0 DBADRM CCCCOC(=O)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590605424 1021528896 /nfs/dbraw/zinc/52/88/96/1021528896.db2.gz ADQBDRHLYSOMCE-MRVPVSSYSA-N -1 0 322.329 -0.521 20 0 DBADRM CCCCOCCNC(=O)Cn1cncc(-c2nnn[n-]2)c1=O ZINC001590612252 1021529789 /nfs/dbraw/zinc/52/97/89/1021529789.db2.gz AQBYVBPSSFPJFH-UHFFFAOYSA-N -1 0 321.341 -0.644 20 0 DBADRM CC(C)(CC(=O)[O-])C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC001590625670 1021530295 /nfs/dbraw/zinc/53/02/95/1021530295.db2.gz QGCLJKDZULMOLC-UHFFFAOYSA-N -1 0 314.338 -0.231 20 0 DBADRM CCCNC(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001590637984 1021531931 /nfs/dbraw/zinc/53/19/31/1021531931.db2.gz MPWNQEZRGIRGBP-UHFFFAOYSA-N -1 0 320.313 -0.895 20 0 DBADRM CCCn1c(C)nnc1Cn1cncc(-c2nnn[n-]2)c1=O ZINC001590662186 1021533482 /nfs/dbraw/zinc/53/34/82/1021533482.db2.gz JUXYKGVLJBXQBF-UHFFFAOYSA-N -1 0 301.314 -0.218 20 0 DBADRM CCC[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1)C(=O)[O-] ZINC001590654144 1021537704 /nfs/dbraw/zinc/53/77/04/1021537704.db2.gz SHIZHBQRDPYWGZ-LURJTMIESA-N -1 0 315.311 -0.009 20 0 DBADRM CC(C)(CCS(C)(=O)=O)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001590694550 1021540364 /nfs/dbraw/zinc/54/03/64/1021540364.db2.gz QVLNRJMMIUMCSS-UHFFFAOYSA-N -1 0 317.367 -0.089 20 0 DBADRM CCN(C[C@H](C)OC)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590680462 1021540500 /nfs/dbraw/zinc/54/05/00/1021540500.db2.gz CTGJQPLIVVBLAD-IUCAKERBSA-N -1 0 308.346 -0.097 20 0 DBADRM CCN(C[C@H](C)OC)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590680461 1021542619 /nfs/dbraw/zinc/54/26/19/1021542619.db2.gz CTGJQPLIVVBLAD-DTWKUNHWSA-N -1 0 308.346 -0.097 20 0 DBADRM CCN(CC(C)C)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590681603 1021543229 /nfs/dbraw/zinc/54/32/29/1021543229.db2.gz XAUUTODGMFEDBX-UHFFFAOYSA-N -1 0 321.341 -0.367 20 0 DBADRM CCN(CC(C)(C)O)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590682622 1021544218 /nfs/dbraw/zinc/54/42/18/1021544218.db2.gz NHGOGBDUEFKCKM-QMMMGPOBSA-N -1 0 308.346 -0.361 20 0 DBADRM CC(C)(CNC(=O)CCSCC(=O)[O-])CS(N)(=O)=O ZINC001590708438 1021547000 /nfs/dbraw/zinc/54/70/00/1021547000.db2.gz GUNCNIXADNDKFR-UHFFFAOYSA-N -1 0 312.413 -0.375 20 0 DBADRM CC(C)(CNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)C(F)(F)F ZINC001590702167 1021548554 /nfs/dbraw/zinc/54/85/54/1021548554.db2.gz BITVXDMIOSOKFD-UHFFFAOYSA-N -1 0 312.244 -0.651 20 0 DBADRM CC(C)(CN1CCOCC1)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001590703098 1021550126 /nfs/dbraw/zinc/55/01/26/1021550126.db2.gz VTQMMSNLUHRCCC-PHIMTYICSA-N -1 0 320.411 -0.120 20 0 DBADRM CC(C)(CNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)CC(=O)[O-] ZINC001590717996 1021554443 /nfs/dbraw/zinc/55/44/43/1021554443.db2.gz FSUDYSUMDCVWJL-MRVPVSSYSA-N -1 0 312.326 -0.567 20 0 DBADRM CC(C)(CNC(=O)Nc1ccc(=O)n(CC(N)=O)c1)C(=O)[O-] ZINC001590734346 1021554485 /nfs/dbraw/zinc/55/44/85/1021554485.db2.gz NLIBREDGJIODDB-UHFFFAOYSA-N -1 0 310.310 -0.434 20 0 DBADRM CC(C)(CS(=O)(=O)N[C@@H](CO)C[C@@H]1CCCO1)C(=O)[O-] ZINC001590799314 1021588649 /nfs/dbraw/zinc/58/86/49/1021588649.db2.gz PUTJEEVBAICJDP-ZJUUUORDSA-N -1 0 309.384 -0.053 20 0 DBADRM CC(C)(CNC(=O)NCCS(=O)(=O)NC1CC1)CC(=O)[O-] ZINC001590723263 1021555958 /nfs/dbraw/zinc/55/59/58/1021555958.db2.gz SBFBYFCRCGNTRB-UHFFFAOYSA-N -1 0 321.399 -0.132 20 0 DBADRM CCOC(=O)C1CCC(O)(Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001590756807 1021567226 /nfs/dbraw/zinc/56/72/26/1021567226.db2.gz CLLWZSFACXASGJ-UHFFFAOYSA-N -1 0 321.341 -0.057 20 0 DBADRM CCOC(=O)[C@H](C)OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590751173 1021569245 /nfs/dbraw/zinc/56/92/45/1021569245.db2.gz GEWRGBBPBVPTAG-BQBZGAKWSA-N -1 0 309.286 -0.486 20 0 DBADRM CC(C)(CNC(N)=O)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001590758832 1021571670 /nfs/dbraw/zinc/57/16/70/1021571670.db2.gz RVUPTZZFKXBPHX-DTWKUNHWSA-N -1 0 301.343 -0.181 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590753746 1021572282 /nfs/dbraw/zinc/57/22/82/1021572282.db2.gz YKFUYDGAYHIVSW-NKWVEPMBSA-N -1 0 308.302 -0.913 20 0 DBADRM CCOC(=O)/C=C/Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C)c1=O ZINC001590759463 1021575454 /nfs/dbraw/zinc/57/54/54/1021575454.db2.gz FVIHVWZAJVMUIU-AATRIKPKSA-N -1 0 320.309 -0.845 20 0 DBADRM CCOC(=O)CCOC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590762927 1021576610 /nfs/dbraw/zinc/57/66/10/1021576610.db2.gz VCWCPZMBAMIGEN-SSDOTTSWSA-N -1 0 309.286 -0.484 20 0 DBADRM CCO[C@@H](C(=O)NCCn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001590778806 1021579387 /nfs/dbraw/zinc/57/93/87/1021579387.db2.gz FEDHDBSXMSYGEX-SECBINFHSA-N -1 0 306.330 -0.611 20 0 DBADRM CC(C)(CNc1ccnc(C(=O)[O-])n1)N1CCS(=O)CC1 ZINC001590779862 1021579707 /nfs/dbraw/zinc/57/97/07/1021579707.db2.gz CHPNVLGGTWBPDV-UHFFFAOYSA-N -1 0 312.395 -0.149 20 0 DBADRM CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590786123 1021583852 /nfs/dbraw/zinc/58/38/52/1021583852.db2.gz CHNCWULZXHANQS-IWSPIJDZSA-N -1 0 306.330 -0.755 20 0 DBADRM CC(C)(CS(C)(=O)=O)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001590812351 1021588276 /nfs/dbraw/zinc/58/82/76/1021588276.db2.gz OPFLPVXGKMRCAA-UHFFFAOYSA-N -1 0 303.340 -0.479 20 0 DBADRM CC(C)(CS(=O)(=O)NCCN1C(=O)CSC1=O)C(=O)[O-] ZINC001590804539 1021588781 /nfs/dbraw/zinc/58/87/81/1021588781.db2.gz XBVDEOUBQCJUSB-UHFFFAOYSA-N -1 0 324.380 -0.288 20 0 DBADRM CCOCCNC(=O)Cn1nc(C)c(C)c(-c2nnn[n-]2)c1=O ZINC001590813161 1021591628 /nfs/dbraw/zinc/59/16/28/1021591628.db2.gz HLSMNODGOJKEBE-UHFFFAOYSA-N -1 0 321.341 -0.807 20 0 DBADRM C/C(=C\C(=O)N1CC[C@H](c2nnn[n-]2)C1)CN1CCOCC1 ZINC001520461019 1021591899 /nfs/dbraw/zinc/59/18/99/1021591899.db2.gz SWJLPFWXJJEHDV-OBIHZWKSSA-N -1 0 306.370 -0.206 20 0 DBADRM CCO[C@H]1C[C@H](NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001590823619 1021594989 /nfs/dbraw/zinc/59/49/89/1021594989.db2.gz YZAPOBKRVIAQJQ-IWSPIJDZSA-N -1 0 306.330 -0.297 20 0 DBADRM CC(C)(NC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)C(=O)[O-] ZINC001590836059 1021596768 /nfs/dbraw/zinc/59/67/68/1021596768.db2.gz GMXUCOTURCGZNG-UHFFFAOYSA-N -1 0 311.269 -0.158 20 0 DBADRM CC(C)(NS(=O)(=O)c1cccc2c1OCO2)[C@@H](O)C(=O)[O-] ZINC001590879747 1021598308 /nfs/dbraw/zinc/59/83/08/1021598308.db2.gz LNSQJIQCROWKPC-JTQLQIEISA-N -1 0 317.319 -0.082 20 0 DBADRM CC(C)(O)[C@@H]1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1 ZINC001590892695 1021603858 /nfs/dbraw/zinc/60/38/58/1021603858.db2.gz IBQXGOAFOJWDQH-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM CCc1cc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)nn1C ZINC001590882533 1021604493 /nfs/dbraw/zinc/60/44/93/1021604493.db2.gz JFGGOQQWXAIFGH-ZETCQYMHSA-N -1 0 316.329 -0.046 20 0 DBADRM CC(C)(O)[C@H]1CCCN1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001590892982 1021606513 /nfs/dbraw/zinc/60/65/13/1021606513.db2.gz OZUQHNKKOAVDPS-SNVBAGLBSA-N -1 0 311.342 -0.079 20 0 DBADRM CC(C)(c1nnc(C(=O)NCCCC(=O)[O-])o1)S(C)(=O)=O ZINC001590908967 1021606691 /nfs/dbraw/zinc/60/66/91/1021606691.db2.gz PHYQWHPTQYPRGJ-UHFFFAOYSA-N -1 0 319.339 -0.056 20 0 DBADRM CC(C)(O)CC(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001590893065 1021606787 /nfs/dbraw/zinc/60/67/87/1021606787.db2.gz CKFZOTQTNHJZFY-UHFFFAOYSA-N -1 0 308.338 -0.182 20 0 DBADRM CC(C)(O)[C@H]1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1 ZINC001590892697 1021607761 /nfs/dbraw/zinc/60/77/61/1021607761.db2.gz IBQXGOAFOJWDQH-QWRGUYRKSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)=CCNC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001590920747 1021609320 /nfs/dbraw/zinc/60/93/20/1021609320.db2.gz FWTPHAZYGYGINO-SNVBAGLBSA-N -1 0 321.337 -0.168 20 0 DBADRM CC(C)C(=O)N1CCN(CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001590935804 1021611263 /nfs/dbraw/zinc/61/12/63/1021611263.db2.gz TWBZTAUUTWUSLB-NWDGAFQWSA-N -1 0 311.382 -0.377 20 0 DBADRM CCc1nc(COC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)no1 ZINC001590913684 1021611336 /nfs/dbraw/zinc/61/13/36/1021611336.db2.gz DJVVFUFVZODYDI-LURJTMIESA-N -1 0 319.285 -0.292 20 0 DBADRM CC(C)=CC(=O)NC1(CCO)CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001590912496 1021612214 /nfs/dbraw/zinc/61/22/14/1021612214.db2.gz LGTQQDDDHHWNEG-QWRGUYRKSA-N -1 0 310.350 -0.247 20 0 DBADRM CC(C)C(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C[C@H]1O ZINC001590939158 1021615595 /nfs/dbraw/zinc/61/55/95/1021615595.db2.gz VUMYZYYTFJMOFY-WDEREUQCSA-N -1 0 308.338 -0.113 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001590938343 1021617565 /nfs/dbraw/zinc/61/75/65/1021617565.db2.gz CJJJHRQMJLIDAC-NSHDSACASA-N -1 0 309.322 -0.471 20 0 DBADRM CCn1[n-]nnc1=NC(=O)c1ncc(-c2nn[nH]n2)cc1C ZINC001590972150 1021620536 /nfs/dbraw/zinc/62/05/36/1021620536.db2.gz MVIKYTAFFQZVHX-UHFFFAOYSA-N -1 0 300.286 -0.749 20 0 DBADRM CC(C)[C@@](C)(NC(=O)Cn1cccc(C(=O)[O-])c1=O)C(N)=O ZINC001590969166 1021621183 /nfs/dbraw/zinc/62/11/83/1021621183.db2.gz YKDCYVSBQYYYRR-CQSZACIVSA-N -1 0 309.322 -0.437 20 0 DBADRM CCn1ncc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001590969243 1021621714 /nfs/dbraw/zinc/62/17/14/1021621714.db2.gz YVGRHWAAONQVSQ-UHFFFAOYSA-N -1 0 324.326 -0.450 20 0 DBADRM CC(C)[C@@](C)(NS(=O)(=O)c1cncc(C(=O)[O-])c1)C(N)=O ZINC001590967524 1021622434 /nfs/dbraw/zinc/62/24/34/1021622434.db2.gz YJVJECJLGADSFA-GFCCVEGCSA-N -1 0 315.351 -0.042 20 0 DBADRM CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001591001043 1021624160 /nfs/dbraw/zinc/62/41/60/1021624160.db2.gz CVVGVYNRUSYXOL-SKDRFNHKSA-N -1 0 308.338 -0.002 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCCOCC(=O)[O-])N1CCOCC1 ZINC001590983242 1021627776 /nfs/dbraw/zinc/62/77/76/1021627776.db2.gz GCSOOJIJAOEEQU-GFCCVEGCSA-N -1 0 317.386 -0.256 20 0 DBADRM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001591019480 1021636426 /nfs/dbraw/zinc/63/64/26/1021636426.db2.gz OCGFNWSJUKBTEA-QWRGUYRKSA-N -1 0 309.322 -0.602 20 0 DBADRM CC(=O)NCC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001521965997 1021668820 /nfs/dbraw/zinc/66/88/20/1021668820.db2.gz RVNBRXWIJIMICV-PSASIEDQSA-N -1 0 311.342 -0.690 20 0 DBADRM O=C(/C=C/CN1CCOCC1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001521937701 1021670237 /nfs/dbraw/zinc/67/02/37/1021670237.db2.gz IISHPZNQAUJYNY-CXLRFSCWSA-N -1 0 320.397 -0.131 20 0 DBADRM Cc1nc[nH]c(=O)c1CCC(=O)NCCNC(=O)[C@@H]1CCCO1 ZINC001522508447 1021738484 /nfs/dbraw/zinc/73/84/84/1021738484.db2.gz QLJMDOXBBJBZRR-LBPRGKRZSA-N -1 0 322.365 -0.165 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)CCc2nccn2C)c1[O-] ZINC001522585254 1021801814 /nfs/dbraw/zinc/80/18/14/1021801814.db2.gz LKKVQTHDOQBMFE-UHFFFAOYSA-N -1 0 320.353 -0.364 20 0 DBADRM Cc1nc(C)c(C(=O)NCCNC(=O)c2[nH]nc(C)c2[O-])[nH]1 ZINC001522593572 1021804636 /nfs/dbraw/zinc/80/46/36/1021804636.db2.gz ZHHPDQDPFOPYHI-UHFFFAOYSA-N -1 0 306.326 -0.077 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)Cc2cscn2)c1[O-] ZINC001522591291 1021805135 /nfs/dbraw/zinc/80/51/35/1021805135.db2.gz MKTHLGAUEPLRKF-UHFFFAOYSA-N -1 0 309.351 -0.031 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@H](C)c2ccnn2C)c1[O-] ZINC001522591426 1021805424 /nfs/dbraw/zinc/80/54/24/1021805424.db2.gz NAMIDLAJICSCKP-MRVPVSSYSA-N -1 0 320.353 -0.193 20 0 DBADRM Cc1cc(C(=O)NCCNC(=O)c2cnc[nH]c2=O)cnn1 ZINC001522605363 1021809656 /nfs/dbraw/zinc/80/96/56/1021809656.db2.gz LTCCWJHNCJORPE-UHFFFAOYSA-N -1 0 302.294 -0.560 20 0 DBADRM CCC(C)(C)CC(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001522660876 1021831910 /nfs/dbraw/zinc/83/19/10/1021831910.db2.gz QFYQMXWJRAIMLT-UHFFFAOYSA-N -1 0 313.358 -0.252 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)Cn2ccnc2C)c1[O-] ZINC001522881624 1021895097 /nfs/dbraw/zinc/89/50/97/1021895097.db2.gz MXXBUSIIUJDMEK-UHFFFAOYSA-N -1 0 320.353 -0.135 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)CCn2ccnn2)c1[O-] ZINC001522881672 1021895158 /nfs/dbraw/zinc/89/51/58/1021895158.db2.gz OFGTXTQPJNVLMU-UHFFFAOYSA-N -1 0 321.341 -0.658 20 0 DBADRM CCCCC(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001523006015 1021959071 /nfs/dbraw/zinc/95/90/71/1021959071.db2.gz CGNPGOYZPHODNT-MRVPVSSYSA-N -1 0 309.326 -0.196 20 0 DBADRM O=C(N[C@H](CNC(=O)C1CC1)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001524301675 1022232697 /nfs/dbraw/zinc/23/26/97/1022232697.db2.gz MBESLJVWXPVJLV-MRVPVSSYSA-N -1 0 307.310 -0.683 20 0 DBADRM CC(C)C(=O)NC[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001524338383 1022243047 /nfs/dbraw/zinc/24/30/47/1022243047.db2.gz IVBSCVQDUGXHHO-LLVKDONJSA-N -1 0 322.365 -0.234 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2cc[n+]([O-])cc2)c1[O-] ZINC001526364954 1022485562 /nfs/dbraw/zinc/48/55/62/1022485562.db2.gz AXNSLHYYZJYFAV-QMMMGPOBSA-N -1 0 319.321 -0.395 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)C[C@H]2CCC(=O)N2)c1[O-] ZINC001526499870 1022514528 /nfs/dbraw/zinc/51/45/28/1022514528.db2.gz FWSYPUDMSYOQBV-IONNQARKSA-N -1 0 323.353 -0.673 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC001558637091 1023965700 /nfs/dbraw/zinc/96/57/00/1023965700.db2.gz KGILCDSAXSJEJD-NSHDSACASA-N -1 0 314.363 -0.391 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)n1 ZINC001561892022 1024018582 /nfs/dbraw/zinc/01/85/82/1024018582.db2.gz NLZCUSGPGHNJIL-UHFFFAOYSA-N -1 0 307.295 -0.753 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H](C)C1CCN(C(=O)OC)CC1 ZINC001564594587 1024040063 /nfs/dbraw/zinc/04/00/63/1024040063.db2.gz FIVMFAVJHYMVMQ-VIFPVBQESA-N -1 0 316.358 -0.170 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(c2nnnn2C)CC1 ZINC001565024237 1024047187 /nfs/dbraw/zinc/04/71/87/1024047187.db2.gz TXRWXDFOERVNJX-UHFFFAOYSA-N -1 0 311.346 -0.833 20 0 DBADRM CCO[C@H]1C[C@](CO)(NC(=O)NCC(=O)[N-]OC)C1(C)C ZINC001565420367 1024054749 /nfs/dbraw/zinc/05/47/49/1024054749.db2.gz BOTISYFMFZZVAQ-TVQRCGJNSA-N -1 0 303.359 -0.471 20 0 DBADRM CCNC(=O)CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001566619901 1024283471 /nfs/dbraw/zinc/28/34/71/1024283471.db2.gz AALJSPFMYPUFHV-VIFPVBQESA-N -1 0 310.358 -0.883 20 0 DBADRM CN(CCNC(=O)c1nccn2ccnc12)Cc1n[nH]c(=O)[n-]1 ZINC001567304044 1024617447 /nfs/dbraw/zinc/61/74/47/1024617447.db2.gz VMDQULKNAGEKHV-UHFFFAOYSA-N -1 0 316.325 -0.585 20 0 DBADRM O=C(NCCCn1cccnc1=O)c1c[n-]n2c1nccc2=O ZINC001568698625 1024988258 /nfs/dbraw/zinc/98/82/58/1024988258.db2.gz LXZJEGQQZFVHMW-UHFFFAOYSA-N -1 0 314.305 -0.601 20 0 DBADRM C[C@H](C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)n1cccn1 ZINC001568820348 1025027821 /nfs/dbraw/zinc/02/78/21/1025027821.db2.gz XCLSSNBHWDAORC-MXQLGCADSA-N -1 0 305.342 -0.270 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001568922712 1025083419 /nfs/dbraw/zinc/08/34/19/1025083419.db2.gz BPKDODHDSVTJBR-ORAHPGNNSA-N -1 0 310.358 -0.813 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CCC[C@@]1(C)NC(=O)NC1=O ZINC001570741439 1025728875 /nfs/dbraw/zinc/72/88/75/1025728875.db2.gz KLEUAHLAYPOCSU-GFCCVEGCSA-N -1 0 311.298 -0.910 20 0 DBADRM NC(=O)[C@H](NS(=O)(=O)CCCC(=O)[O-])c1ccccn1 ZINC001571074030 1025811935 /nfs/dbraw/zinc/81/19/35/1025811935.db2.gz DXWZZJTUEULYDK-SNVBAGLBSA-N -1 0 301.324 -0.608 20 0 DBADRM COC(=O)C[C@H](CNC(=O)N1CC(O)(C(=O)[O-])C1)C1CC1 ZINC001571070277 1025808658 /nfs/dbraw/zinc/80/86/58/1025808658.db2.gz XHIWYCRMMAEEQN-SECBINFHSA-N -1 0 300.311 -0.583 20 0 DBADRM CCS(=O)(=O)CCNC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001571071920 1025809534 /nfs/dbraw/zinc/80/95/34/1025809534.db2.gz CLBWBSWLHOSSJJ-UHFFFAOYSA-N -1 0 300.336 -0.127 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001571074671 1025810376 /nfs/dbraw/zinc/81/03/76/1025810376.db2.gz MJKGNOPCMHQOHL-APPZFPTMSA-N -1 0 301.324 -0.499 20 0 DBADRM C[C@H](NC(=O)N[C@@H]1COC[C@H]1O)C1CCN(C(=O)[O-])CC1 ZINC001571074090 1025810795 /nfs/dbraw/zinc/81/07/95/1025810795.db2.gz FUEFYYKNHMAPCF-JMJZKYOTSA-N -1 0 301.343 -0.176 20 0 DBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001571074110 1025811094 /nfs/dbraw/zinc/81/10/94/1025811094.db2.gz GHLRNKRDSMAQKJ-UTLUCORTSA-N -1 0 301.343 -0.481 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001571074036 1025811125 /nfs/dbraw/zinc/81/11/25/1025811125.db2.gz CWFBHTAYMQECPV-AATLWQCWSA-N -1 0 301.343 -0.624 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NC[C@@H](O)[C@H]1CCCO1 ZINC001571074350 1025811705 /nfs/dbraw/zinc/81/17/05/1025811705.db2.gz HQKBTSNRHRMDSZ-IRCOFANPSA-N -1 0 301.339 -0.088 20 0 DBADRM CCN1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1=O ZINC001571076823 1025812585 /nfs/dbraw/zinc/81/25/85/1025812585.db2.gz LVNTXMBNWQXTMA-ZCFIWIBFSA-N -1 0 302.312 -0.993 20 0 DBADRM Cn1nnc(C(=O)N2Cc3cc(O)ccc3C[C@H]2C(=O)[O-])n1 ZINC001571079070 1025812636 /nfs/dbraw/zinc/81/26/36/1025812636.db2.gz BHYKUASBYJKZHD-JTQLQIEISA-N -1 0 303.278 -0.433 20 0 DBADRM C[C@]1(C(=O)NCc2ocnc2C(=O)[O-])CCCS1(=O)=O ZINC001571076977 1025813143 /nfs/dbraw/zinc/81/31/43/1025813143.db2.gz PTPGOQFELASOGR-LLVKDONJSA-N -1 0 302.308 -0.044 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)COC[C@H]1CCCO1)C(=O)[O-] ZINC001571077038 1025813545 /nfs/dbraw/zinc/81/35/45/1025813545.db2.gz SJACPVZGRMHBMX-LPEHRKFASA-N -1 0 302.327 -0.724 20 0 DBADRM CN(C)C(=O)CCCC(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001571077228 1025813659 /nfs/dbraw/zinc/81/36/59/1025813659.db2.gz XGRKLYORAIHWSU-SECBINFHSA-N -1 0 302.327 -0.423 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001571076828 1025813723 /nfs/dbraw/zinc/81/37/23/1025813723.db2.gz MDCCHRPEZICAHR-YIZRAAEISA-N -1 0 302.327 -0.149 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1c(Cl)cnn1C)C(=O)[O-] ZINC001571079946 1025814710 /nfs/dbraw/zinc/81/47/10/1025814710.db2.gz QBRASJDPRRCGFC-WDSKDSINSA-N -1 0 302.718 -0.219 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H](CO)CC2CC2)n[nH]1 ZINC001571080200 1025815199 /nfs/dbraw/zinc/81/51/99/1025815199.db2.gz OIHVCUZOBRYDQL-QMMMGPOBSA-N -1 0 303.340 -0.205 20 0 DBADRM Cn1cnc2ccc(C(=O)N3CCN(CC(=O)[O-])CC3)nc21 ZINC001571079773 1025815273 /nfs/dbraw/zinc/81/52/73/1025815273.db2.gz IJTGUXXQFHGBLY-UHFFFAOYSA-N -1 0 303.322 -0.189 20 0 DBADRM CC[C@](COC)(NC(=O)CC1SC(=N)NC1=O)C(=O)[O-] ZINC001571080152 1025815392 /nfs/dbraw/zinc/81/53/92/1025815392.db2.gz NAGDFNJSJDZCDJ-UPONEAKYSA-N -1 0 303.340 -0.461 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)C[C@@H]2C=CS(=O)(=O)C2)CCOC1 ZINC001571079888 1025815624 /nfs/dbraw/zinc/81/56/24/1025815624.db2.gz MEBFOIDZEMGBAI-JOYOIKCWSA-N -1 0 303.336 -0.458 20 0 DBADRM CCC[C@H](NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001571083851 1025816249 /nfs/dbraw/zinc/81/62/49/1025816249.db2.gz ANENYVOANZUMNB-LURJTMIESA-N -1 0 305.312 -0.983 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnco3)C[C@H]21 ZINC001571084582 1025816475 /nfs/dbraw/zinc/81/64/75/1025816475.db2.gz LTQZEJZBHZFFOJ-BIIVNPBRSA-N -1 0 305.290 -0.418 20 0 DBADRM COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571080814 1025816645 /nfs/dbraw/zinc/81/66/45/1025816645.db2.gz VWPDIXDDNSZSSP-ZETCQYMHSA-N -1 0 303.296 -0.566 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Cn1ccc(=O)c2ccccc21 ZINC001571084363 1025816934 /nfs/dbraw/zinc/81/69/34/1025816934.db2.gz AXPJBGWLKVPXAL-JTQLQIEISA-N -1 0 304.302 -0.047 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-] ZINC001571080442 1025817365 /nfs/dbraw/zinc/81/73/65/1025817365.db2.gz RFAVLGVJPXPNIX-LLVKDONJSA-N -1 0 303.292 -0.471 20 0 DBADRM C[C@](Cn1cccn1)(NCC(=O)Nc1cnccn1)C(=O)[O-] ZINC001571084435 1025817502 /nfs/dbraw/zinc/81/75/02/1025817502.db2.gz DRWLREJLWOCPNW-CYBMUJFWSA-N -1 0 304.310 -0.255 20 0 DBADRM C[C@H]1CN(C[C@@H](O)CC2(O)CCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001571081621 1025817810 /nfs/dbraw/zinc/81/78/10/1025817810.db2.gz OXPCGNAIFACFBT-SRVKXCTJSA-N -1 0 303.355 -0.547 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001571084714 1025819002 /nfs/dbraw/zinc/81/90/02/1025819002.db2.gz HCHGGXZWQYWDLK-JFGNBEQYSA-N -1 0 304.302 -0.015 20 0 DBADRM COc1ccc(CC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])nc1 ZINC001571085245 1025819434 /nfs/dbraw/zinc/81/94/34/1025819434.db2.gz XDWQYGYCYASOFG-NSHDSACASA-N -1 0 305.294 -0.506 20 0 DBADRM Cn1nc2c(c1N)CN(C(=O)Nc1ccn(CC(=O)[O-])n1)C2 ZINC001571084914 1025819476 /nfs/dbraw/zinc/81/94/76/1025819476.db2.gz QQQDOKCDHXOWFN-UHFFFAOYSA-N -1 0 305.298 -0.169 20 0 DBADRM CCC[C@@H](C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])S(N)(=O)=O ZINC001571085986 1025820553 /nfs/dbraw/zinc/82/05/53/1025820553.db2.gz FWHUEIXYVKQLDL-PTRXPTGYSA-N -1 0 304.368 -0.091 20 0 DBADRM O=C([O-])[C@H](CC(F)F)NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001571085805 1025821137 /nfs/dbraw/zinc/82/11/37/1025821137.db2.gz TYNGSFWJDRAHIA-RITPCOANSA-N -1 0 304.253 -0.229 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1cnn2c1CCCC2 ZINC001571085951 1025821333 /nfs/dbraw/zinc/82/13/33/1025821333.db2.gz UNXLSQCEFSXPAL-JTQLQIEISA-N -1 0 304.310 -0.306 20 0 DBADRM NC(=O)[C@H]1CCCCN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001571086055 1025821376 /nfs/dbraw/zinc/82/13/76/1025821376.db2.gz HRLPMGXZJCKSQF-KXUCPTDWSA-N -1 0 304.368 -0.091 20 0 DBADRM Cc1nc(CS(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)no1 ZINC001571088459 1025822710 /nfs/dbraw/zinc/82/27/10/1025822710.db2.gz YYULESSOBOXOOW-MRVPVSSYSA-N -1 0 305.312 -0.617 20 0 DBADRM Cc1nc(CS(=O)(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)no1 ZINC001571087747 1025823184 /nfs/dbraw/zinc/82/31/84/1025823184.db2.gz LWRYMOGRDLYLGU-XPUUQOCRSA-N -1 0 305.312 -0.618 20 0 DBADRM C[C@@H](O)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001571088382 1025823436 /nfs/dbraw/zinc/82/34/36/1025823436.db2.gz XNPWMDXXBDVXIJ-YOVDKFQNSA-N -1 0 305.352 -0.706 20 0 DBADRM O=C([O-])[C@H]1Cc2ccc(O)cc2CN1C(=O)[C@H]1COC(=O)N1 ZINC001571091572 1025824074 /nfs/dbraw/zinc/82/40/74/1025824074.db2.gz HDMPFODFAYTWSU-GHMZBOCLSA-N -1 0 306.274 -0.162 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCN(C)CC2)[C@H](C(=O)[O-])C1 ZINC001571092145 1025824256 /nfs/dbraw/zinc/82/42/56/1025824256.db2.gz LXHCCIPQXHAYSX-MNOVXSKESA-N -1 0 305.400 -0.336 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)c1cnn2cccnc12 ZINC001571091873 1025824270 /nfs/dbraw/zinc/82/42/70/1025824270.db2.gz LFSREXLXLOVCPV-SECBINFHSA-N -1 0 306.278 -0.325 20 0 DBADRM Cc1c(Br)cnn1CC(=O)N[C@H](CO)C(=O)[O-] ZINC001571091990 1025824280 /nfs/dbraw/zinc/82/42/80/1025824280.db2.gz JJAIUWMEGCBQPL-SSDOTTSWSA-N -1 0 306.116 -0.484 20 0 DBADRM CCOC(=O)[C@@H](CO)NS(=O)(=O)c1occc1C(=O)[O-] ZINC001571095713 1025827651 /nfs/dbraw/zinc/82/76/51/1025827651.db2.gz CKUZWZSRAAOGKW-SSDOTTSWSA-N -1 0 307.280 -0.820 20 0 DBADRM C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1CC(=O)[O-] ZINC001571093251 1025824873 /nfs/dbraw/zinc/82/48/73/1025824873.db2.gz FAYOXLOWVSCRJX-RKDXNWHRSA-N -1 0 306.384 -0.117 20 0 DBADRM Cc1cc2nccc(NC(=O)NCC(=O)NCC(=O)[O-])n2n1 ZINC001571092637 1025824898 /nfs/dbraw/zinc/82/48/98/1025824898.db2.gz WMHYIPHNAIKGDS-UHFFFAOYSA-N -1 0 306.282 -0.640 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CCN(C)CC2)[C@@H](C(=O)[O-])C1 ZINC001571092149 1025825041 /nfs/dbraw/zinc/82/50/41/1025825041.db2.gz LXHCCIPQXHAYSX-WDEREUQCSA-N -1 0 305.400 -0.336 20 0 DBADRM COc1cc(NC(=O)Cn2cccc(C(=O)[O-])c2=O)n(C)n1 ZINC001571091801 1025825539 /nfs/dbraw/zinc/82/55/39/1025825539.db2.gz JVLKMNCSKMZETC-UHFFFAOYSA-N -1 0 306.278 -0.073 20 0 DBADRM O=C([O-])CC1CC(NC(=O)N2CCS(=O)(=O)CCO2)C1 ZINC001571092636 1025825628 /nfs/dbraw/zinc/82/56/28/1025825628.db2.gz WLMIDUXVOKJXRG-UHFFFAOYSA-N -1 0 306.340 -0.389 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)c1ccc(C(=O)[O-])o1)C(N)=O ZINC001571092580 1025825816 /nfs/dbraw/zinc/82/58/16/1025825816.db2.gz UBOWQOMWZZFNCV-ZDUSSCGKSA-N -1 0 306.278 -0.152 20 0 DBADRM O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001571095913 1025826310 /nfs/dbraw/zinc/82/63/10/1025826310.db2.gz FPWGFLRKYGNFOU-KYXWUPHJSA-N -1 0 307.306 -0.436 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001571096051 1025826612 /nfs/dbraw/zinc/82/66/12/1025826612.db2.gz IUSOYEOKWMLCFC-ZDUSSCGKSA-N -1 0 307.262 -0.926 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)c2cc(C(=O)[O-])on2)n1 ZINC001571095973 1025826742 /nfs/dbraw/zinc/82/67/42/1025826742.db2.gz HFUCNLDCZWANIB-UHFFFAOYSA-N -1 0 307.266 -0.090 20 0 DBADRM CC[C@H](CNS(=O)(=O)CCn1nc(C)oc1=O)C(=O)[O-] ZINC001571096151 1025826903 /nfs/dbraw/zinc/82/69/03/1025826903.db2.gz KIRHDQFCCLAJOQ-MRVPVSSYSA-N -1 0 307.328 -0.825 20 0 DBADRM CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@@H](C)CS(C)(=O)=O ZINC001571096075 1025827133 /nfs/dbraw/zinc/82/71/33/1025827133.db2.gz HFUYBNLZAREUBW-AEJSXWLSSA-N -1 0 307.368 -0.100 20 0 DBADRM CCOC(=O)[C@H](CO)NS(=O)(=O)c1occc1C(=O)[O-] ZINC001571095717 1025827139 /nfs/dbraw/zinc/82/71/39/1025827139.db2.gz CKUZWZSRAAOGKW-ZETCQYMHSA-N -1 0 307.280 -0.820 20 0 DBADRM COCn1ccc(C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])n1 ZINC001571095850 1025827314 /nfs/dbraw/zinc/82/73/14/1025827314.db2.gz FJGWXWPXCXUORK-CYBMUJFWSA-N -1 0 307.310 -0.043 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001571093773 1025827371 /nfs/dbraw/zinc/82/73/71/1025827371.db2.gz ZDCLXCTVLIQNPY-KXUCPTDWSA-N -1 0 306.384 -0.070 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCO[C@H](CCF)C2)n[nH]1 ZINC001571096644 1025828377 /nfs/dbraw/zinc/82/83/77/1025828377.db2.gz PPSJROJTYUMUNU-SSDOTTSWSA-N -1 0 307.303 -0.143 20 0 DBADRM COC[C@@H](CS(=O)(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)OC ZINC001571097007 1025828467 /nfs/dbraw/zinc/82/84/67/1025828467.db2.gz RXBXOGHBUABSET-WDCWCFNPSA-N -1 0 307.368 -0.180 20 0 DBADRM C[C@H](C(=O)N[C@@]1(CC(=O)[O-])CCOC1)[C@@H](C)S(C)(=O)=O ZINC001571096529 1025828475 /nfs/dbraw/zinc/82/84/75/1025828475.db2.gz MMETWHFMJDYTRH-YGOYTEALSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)N1CC[C@H](C)C1)C(=O)[O-] ZINC001571097086 1025829156 /nfs/dbraw/zinc/82/91/56/1025829156.db2.gz VLOGCLBSVHSHSR-CIUDSAMLSA-N -1 0 307.372 -0.860 20 0 DBADRM COC[C@H](O)CCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001571096632 1025829189 /nfs/dbraw/zinc/82/91/89/1025829189.db2.gz PGXCFSGXGHVMJV-SSDOTTSWSA-N -1 0 307.328 -0.908 20 0 DBADRM CC[C@@H](CNS(=O)(=O)CCn1nc(C)oc1=O)C(=O)[O-] ZINC001571096154 1025829365 /nfs/dbraw/zinc/82/93/65/1025829365.db2.gz KIRHDQFCCLAJOQ-QMMMGPOBSA-N -1 0 307.328 -0.825 20 0 DBADRM Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c(=O)[nH]1 ZINC001571096998 1025829531 /nfs/dbraw/zinc/82/95/31/1025829531.db2.gz VLQNLWKYWNDRRL-SNVBAGLBSA-N -1 0 307.306 -0.099 20 0 DBADRM Cn1nccc1[C@H](O)CNC(=O)Nc1cc(C(=O)[O-])nn1C ZINC001571097646 1025829861 /nfs/dbraw/zinc/82/98/61/1025829861.db2.gz BNYHUERVKZYAAY-SECBINFHSA-N -1 0 308.298 -0.293 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)Cc2ccc(C(=O)[O-])nc2)C1 ZINC001571097939 1025830038 /nfs/dbraw/zinc/83/00/38/1025830038.db2.gz IAHUUQFUOPLWKX-CQSZACIVSA-N -1 0 308.290 -0.541 20 0 DBADRM CNc1cnc(C(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)cn1 ZINC001571098222 1025830272 /nfs/dbraw/zinc/83/02/72/1025830272.db2.gz OPWYLGBNBOISAS-SFYZADRCSA-N -1 0 308.294 -0.536 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C[C@@]1(O)CCCOC1 ZINC001571097422 1025830489 /nfs/dbraw/zinc/83/04/89/1025830489.db2.gz ZXGGGBWVZCVMMW-PWSUYJOCSA-N -1 0 307.368 -0.898 20 0 DBADRM NC(=O)c1ccc(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cn1 ZINC001571098673 1025830827 /nfs/dbraw/zinc/83/08/27/1025830827.db2.gz WNKAMPRLZINVKW-GMSGAONNSA-N -1 0 308.294 -0.208 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2c[nH]cc(C)c2=O)C[C@H]1C(=O)[O-] ZINC001571098076 1025831134 /nfs/dbraw/zinc/83/11/34/1025831134.db2.gz LUDGXLVSCMVKMY-NXEZZACHSA-N -1 0 308.290 -0.371 20 0 DBADRM CO[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571097341 1025831495 /nfs/dbraw/zinc/83/14/95/1025831495.db2.gz WWBQLYKQJUGXGQ-CHWFTXMASA-N -1 0 307.368 -0.037 20 0 DBADRM Cc1cc(C)n(CC(=O)N[C@@]2(CC(=O)[O-])CCOC2)c(=O)n1 ZINC001571101537 1025831819 /nfs/dbraw/zinc/83/18/19/1025831819.db2.gz DBVARBGQWJVWDA-CQSZACIVSA-N -1 0 309.322 -0.390 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001571101515 1025832272 /nfs/dbraw/zinc/83/22/72/1025832272.db2.gz CSDROPWSWAAYJH-WDEREUQCSA-N -1 0 309.326 -0.752 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001571100287 1025832366 /nfs/dbraw/zinc/83/23/66/1025832366.db2.gz DGUMZUNDEPLFPZ-SSDOTTSWSA-N -1 0 309.282 -0.213 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001571101506 1025832392 /nfs/dbraw/zinc/83/23/92/1025832392.db2.gz CSDROPWSWAAYJH-GHMZBOCLSA-N -1 0 309.326 -0.752 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001571100888 1025832681 /nfs/dbraw/zinc/83/26/81/1025832681.db2.gz QUNUARMPVGUIGQ-LKEWCRSYSA-N -1 0 309.282 -0.753 20 0 DBADRM COC[C@H](NC(=O)c1ccsc1S(N)(=O)=O)C(=O)[O-] ZINC001571101499 1025833174 /nfs/dbraw/zinc/83/31/74/1025833174.db2.gz BGAJWQFFCIPRLW-LURJTMIESA-N -1 0 308.337 -0.775 20 0 DBADRM NC(=O)N[C@@H]1CCN(C(=O)CCCn2ccc(C(=O)[O-])n2)C1 ZINC001571101679 1025833187 /nfs/dbraw/zinc/83/31/87/1025833187.db2.gz FTHDCRAAVYBWIK-SECBINFHSA-N -1 0 309.326 -0.369 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)N[C@H]3CCOC3=O)C2)nn1 ZINC001571101365 1025833239 /nfs/dbraw/zinc/83/32/39/1025833239.db2.gz ZWCJCCALVLSXDD-YUMQZZPRSA-N -1 0 309.282 -0.752 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001571101914 1025834390 /nfs/dbraw/zinc/83/43/90/1025834390.db2.gz IMWGGHGWDOFKQT-IUCAKERBSA-N -1 0 309.326 -0.195 20 0 DBADRM COC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001571103495 1025834660 /nfs/dbraw/zinc/83/46/60/1025834660.db2.gz XPLMBMPTZSWFMD-BDAKNGLRSA-N -1 0 308.356 -0.431 20 0 DBADRM Cn1cc(CNC(=O)NC2CC(CC(=O)[O-])C2)c(=O)[nH]c1=O ZINC001571106406 1025835572 /nfs/dbraw/zinc/83/55/72/1025835572.db2.gz OPQHCYAAKZHAAY-UHFFFAOYSA-N -1 0 310.310 -0.462 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)c1cn(C2CCOCC2)nn1 ZINC001571105987 1025835728 /nfs/dbraw/zinc/83/57/28/1025835728.db2.gz FMMHLLIGHYIWAP-SWZMTVOYSA-N -1 0 310.310 -0.663 20 0 DBADRM Cn1cc(CNC(=O)N2CCC[C@H]2CC(=O)[O-])c(=O)[nH]c1=O ZINC001571106013 1025836246 /nfs/dbraw/zinc/83/62/46/1025836246.db2.gz GBBZJULBVICQHX-VIFPVBQESA-N -1 0 310.310 -0.365 20 0 DBADRM O=C([O-])c1coc(CNC(=O)NCCN2CCNC(=O)C2)c1 ZINC001571106604 1025836404 /nfs/dbraw/zinc/83/64/04/1025836404.db2.gz SILHWVHBCLSNAS-UHFFFAOYSA-N -1 0 310.310 -0.791 20 0 DBADRM CN(C)[C@H](C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])c1cncn1C ZINC001571106318 1025836552 /nfs/dbraw/zinc/83/65/52/1025836552.db2.gz NKTZGRSUYVUUSO-ADEWGFFLSA-N -1 0 310.354 -0.371 20 0 DBADRM C[C@H](OC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1cn(CC(=O)[O-])nn1 ZINC001571106451 1025836607 /nfs/dbraw/zinc/83/66/07/1025836607.db2.gz POPCGKNHIAANEU-YIZRAAEISA-N -1 0 310.310 -0.132 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@H](O)c1cncs1 ZINC001571106431 1025836864 /nfs/dbraw/zinc/83/68/64/1025836864.db2.gz LMHHMMQJOSFFMH-ZETCQYMHSA-N -1 0 309.369 -0.583 20 0 DBADRM O=C([O-])C1(NC(=O)COCc2cc[nH]c(=O)c2)CC(CO)C1 ZINC001571106282 1025837011 /nfs/dbraw/zinc/83/70/11/1025837011.db2.gz LWHZYPPPZVCXKH-UHFFFAOYSA-N -1 0 310.306 -0.354 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)NC[C@H](F)C(=O)[O-])[nH]c2=O ZINC001571108530 1025837943 /nfs/dbraw/zinc/83/79/43/1025837943.db2.gz VLKIQNKSVGEEPS-ZETCQYMHSA-N -1 0 311.273 -0.460 20 0 DBADRM Cc1nc(CS(=O)(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)no1 ZINC001571108674 1025838505 /nfs/dbraw/zinc/83/85/05/1025838505.db2.gz ZCHORVMPHJNVPV-FSPLSTOPSA-N -1 0 311.266 -0.237 20 0 DBADRM C[C@@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)c2ncnn21 ZINC001571112077 1025840056 /nfs/dbraw/zinc/84/00/56/1025840056.db2.gz IYYFMZQSXPJDHB-RITPCOANSA-N -1 0 312.311 -0.316 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001571110971 1025840217 /nfs/dbraw/zinc/84/02/17/1025840217.db2.gz ASWCFPIHGMDHSU-ZMLRMANQSA-N -1 0 311.338 -0.037 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001571111469 1025840286 /nfs/dbraw/zinc/84/02/86/1025840286.db2.gz LPIAEPIJSJSBEJ-SFYZADRCSA-N -1 0 311.335 -0.868 20 0 DBADRM CC(C)(C)n1nnc(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)n1 ZINC001571110992 1025840417 /nfs/dbraw/zinc/84/04/17/1025840417.db2.gz BKLNWZSGYWJSJE-IUCAKERBSA-N -1 0 311.342 -0.105 20 0 DBADRM NC(=O)Cc1occc1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001571111853 1025840713 /nfs/dbraw/zinc/84/07/13/1025840713.db2.gz DDUZTMZHTSHOLF-QMMMGPOBSA-N -1 0 312.278 -0.747 20 0 DBADRM Cn1cc(CNC(=O)NCC(C)(C)CC(=O)[O-])c(=O)[nH]c1=O ZINC001571113158 1025841776 /nfs/dbraw/zinc/84/17/76/1025841776.db2.gz WKLNTCBDLCXQQA-UHFFFAOYSA-N -1 0 312.326 -0.214 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001571112723 1025841866 /nfs/dbraw/zinc/84/18/66/1025841866.db2.gz QUHYKIRFTXBFLV-TVQRCGJNSA-N -1 0 312.326 -0.489 20 0 DBADRM COCc1nocc1C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001571113016 1025842548 /nfs/dbraw/zinc/84/25/48/1025842548.db2.gz VORPOCBCFDQFGK-SFYZADRCSA-N -1 0 312.278 -0.233 20 0 DBADRM Cn1nc2c(c1C(=O)NC1(C(=O)[O-])CC1)CS(=O)(=O)CC2 ZINC001571118266 1025842932 /nfs/dbraw/zinc/84/29/32/1025842932.db2.gz CAVNKWOGOSNCMM-UHFFFAOYSA-N -1 0 313.335 -0.762 20 0 DBADRM CCOCn1nc(C)c(CC(=O)NCC[C@H](O)C(=O)[O-])c1C ZINC001571116485 1025843129 /nfs/dbraw/zinc/84/31/29/1025843129.db2.gz FPBHBVZFEYVELS-LBPRGKRZSA-N -1 0 313.354 -0.012 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)N=S1(=O)CCCC1 ZINC001571115453 1025843246 /nfs/dbraw/zinc/84/32/46/1025843246.db2.gz KRQXFTRHRAGVRQ-SFYZADRCSA-N -1 0 312.369 -0.987 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001571116885 1025843787 /nfs/dbraw/zinc/84/37/87/1025843787.db2.gz OGNOQUHPXTURAH-VHSXEESVSA-N -1 0 313.354 -0.532 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C1CC1 ZINC001571115735 1025843863 /nfs/dbraw/zinc/84/38/63/1025843863.db2.gz NNAMEKBRYSKWOY-AGIUHOORSA-N -1 0 312.366 -0.154 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001571117129 1025844446 /nfs/dbraw/zinc/84/44/46/1025844446.db2.gz VPXUDEDMNJLZBZ-AXFHLTTASA-N -1 0 313.354 -0.167 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NCC[C@@H]2CNC(=O)C2)c1 ZINC001571118256 1025844500 /nfs/dbraw/zinc/84/45/00/1025844500.db2.gz BWMCMGPCDXJVHI-QMMMGPOBSA-N -1 0 313.335 -0.416 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)NCCN2CCNC2=O)n1 ZINC001571119041 1025844747 /nfs/dbraw/zinc/84/47/47/1025844747.db2.gz RPCJNKVUTIMFPN-UHFFFAOYSA-N -1 0 313.339 -0.083 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2csc(CO)n2)C[C@@H]1C(=O)[O-] ZINC001571119515 1025845108 /nfs/dbraw/zinc/84/51/08/1025845108.db2.gz GLZNKRZREMGKBD-BQBZGAKWSA-N -1 0 314.319 -0.419 20 0 DBADRM C[C@]12CN(C(=O)c3cc(C(=O)[O-])no3)C[C@H]1CS(=O)(=O)C2 ZINC001571120055 1025845179 /nfs/dbraw/zinc/84/51/79/1025845179.db2.gz QCXGURZIEUMPHK-JVXZTZIISA-N -1 0 314.319 -0.121 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)cn1 ZINC001571119478 1025845237 /nfs/dbraw/zinc/84/52/37/1025845237.db2.gz GFGMSHKQJJGXFN-LYWQIFSTSA-N -1 0 314.319 -0.807 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001571120310 1025845593 /nfs/dbraw/zinc/84/55/93/1025845593.db2.gz UICNBDQOQTWFIK-UHFFFAOYSA-N -1 0 314.319 -0.247 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)c3cccnn3)CC2)nc1 ZINC001571119582 1025845310 /nfs/dbraw/zinc/84/53/10/1025845310.db2.gz GVMHERVJQAMAOF-UHFFFAOYSA-N -1 0 314.305 -0.073 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CCNC(=O)OCC(F)(F)F)C1 ZINC001571119423 1025845410 /nfs/dbraw/zinc/84/54/10/1025845410.db2.gz FLXUKHGWGPZAIW-UHFFFAOYSA-N -1 0 314.216 -0.677 20 0 DBADRM Cc1cc(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)ncn1 ZINC001571118892 1025845941 /nfs/dbraw/zinc/84/59/41/1025845941.db2.gz LNMAAVLJAGRCAA-JOYOIKCWSA-N -1 0 313.335 -0.597 20 0 DBADRM CC[S@@](=O)CCNC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001571123222 1025847165 /nfs/dbraw/zinc/84/71/65/1025847165.db2.gz MBHVJDWCHIFZJT-OAQYLSRUSA-N -1 0 314.367 -0.015 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)CCn2cnnc2)c1C(=O)[O-] ZINC001571123580 1025847920 /nfs/dbraw/zinc/84/79/20/1025847920.db2.gz SGXYNSNQFNDBIY-UHFFFAOYSA-N -1 0 314.327 -0.671 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC(N3CCCC3=O)C2)on1 ZINC001571122881 1025847961 /nfs/dbraw/zinc/84/79/61/1025847961.db2.gz JIPLGPRFBXFCFT-UHFFFAOYSA-N -1 0 315.307 -0.632 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)O1 ZINC001571123030 1025848140 /nfs/dbraw/zinc/84/81/40/1025848140.db2.gz LHGOFENXQGUNNP-ZRUFSTJUSA-N -1 0 314.338 -0.595 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)O1 ZINC001571123029 1025848194 /nfs/dbraw/zinc/84/81/94/1025848194.db2.gz LHGOFENXQGUNNP-ZDCRXTMVSA-N -1 0 314.338 -0.595 20 0 DBADRM CCc1n[nH]cc1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001571125786 1025848678 /nfs/dbraw/zinc/84/86/78/1025848678.db2.gz LQTKJDSSURLJPK-JOYOIKCWSA-N -1 0 315.351 -0.410 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21)S(C)(=O)=O ZINC001571125146 1025849105 /nfs/dbraw/zinc/84/91/05/1025849105.db2.gz DDBRTCXOIWNNAM-YUMQZZPRSA-N -1 0 315.351 -0.035 20 0 DBADRM CNC(=O)CCCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001571126474 1025849631 /nfs/dbraw/zinc/84/96/31/1025849631.db2.gz SBPYNJPTDPTMOR-JTQLQIEISA-N -1 0 315.370 -0.366 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cnc1N ZINC001571125392 1025849914 /nfs/dbraw/zinc/84/99/14/1025849914.db2.gz FTYNEIZSTXIEKU-VHSXEESVSA-N -1 0 315.351 -0.429 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(Cc2cn(-c3ccccc3)nn2)CC1=O ZINC001571126631 1025849947 /nfs/dbraw/zinc/84/99/47/1025849947.db2.gz UIFUVBYUHJOCAQ-ZDUSSCGKSA-N -1 0 315.333 -0.006 20 0 DBADRM Cn1nccc1[C@@H](NS(=O)(=O)C1CCC(=O)CC1)C(=O)[O-] ZINC001571126609 1025849970 /nfs/dbraw/zinc/84/99/70/1025849970.db2.gz TXDYAPHZUXEKSP-LLVKDONJSA-N -1 0 315.351 -0.023 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001571125088 1025850040 /nfs/dbraw/zinc/85/00/40/1025850040.db2.gz APVCJXQEFXESGB-WCABBAIRSA-N -1 0 315.351 -0.157 20 0 DBADRM O=C([O-])c1nc(CNC(=O)N[C@@H]2COC[C@H]2O)ccc1Cl ZINC001571126548 1025850073 /nfs/dbraw/zinc/85/00/73/1025850073.db2.gz UHAJOCWZJJNWHJ-RKDXNWHRSA-N -1 0 315.713 -0.008 20 0 DBADRM O=C([O-])[C@]12CN(S(=O)(=O)Cc3ccno3)C[C@H]1COCC2 ZINC001571128626 1025850409 /nfs/dbraw/zinc/85/04/09/1025850409.db2.gz OUTGNCXZUCTDAT-JOYOIKCWSA-N -1 0 316.335 -0.073 20 0 DBADRM CC[C@@H]1C(=O)NCCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001571131322 1025850513 /nfs/dbraw/zinc/85/05/13/1025850513.db2.gz BSKQKRDUMVKBIX-MRVPVSSYSA-N -1 0 316.339 -0.603 20 0 DBADRM CNS(=O)(=O)CC(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC001571127938 1025850879 /nfs/dbraw/zinc/85/08/79/1025850879.db2.gz FCSGFLCBZSUTSR-UHFFFAOYSA-N -1 0 316.335 -0.441 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)n1 ZINC001571129145 1025851396 /nfs/dbraw/zinc/85/13/96/1025851396.db2.gz ZRYHCPPCNQTWAP-SNVBAGLBSA-N -1 0 316.321 -0.425 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@H]1CCc2ncncc2C1 ZINC001571128596 1025851606 /nfs/dbraw/zinc/85/16/06/1025851606.db2.gz NSKVTOLDQVCYNR-CABZTGNLSA-N -1 0 316.321 -0.557 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1ccc(F)cn1)C(=O)[O-] ZINC001571127966 1025851687 /nfs/dbraw/zinc/85/16/87/1025851687.db2.gz GCCNKJFXOFWBMB-JOYOIKCWSA-N -1 0 316.310 -0.162 20 0 DBADRM COCC[C@@]1(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCOC1 ZINC001571131840 1025852947 /nfs/dbraw/zinc/85/29/47/1025852947.db2.gz VJOVUSMFJRCKMF-JTNHKYCSSA-N -1 0 316.354 -0.029 20 0 DBADRM CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001571131640 1025853441 /nfs/dbraw/zinc/85/34/41/1025853441.db2.gz NWZQMEJZTZQZGB-ZETCQYMHSA-N -1 0 316.339 -0.745 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCN(C(=O)[O-])CC1 ZINC001571131831 1025853681 /nfs/dbraw/zinc/85/36/81/1025853681.db2.gz VEAQEEWQXHWESF-UHFFFAOYSA-N -1 0 316.339 -0.656 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C1CC1 ZINC001571133371 1025855066 /nfs/dbraw/zinc/85/50/66/1025855066.db2.gz PHJROTCHEGRPJG-QMMMGPOBSA-N -1 0 317.323 -0.354 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001571132910 1025855331 /nfs/dbraw/zinc/85/53/31/1025855331.db2.gz HMILFFVJOOEOIY-GFCCVEGCSA-N -1 0 317.319 -0.434 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])no2)C1 ZINC001571132903 1025855406 /nfs/dbraw/zinc/85/54/06/1025855406.db2.gz HJBZRROOZIUBHS-ZETCQYMHSA-N -1 0 317.323 -0.616 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001571133094 1025855497 /nfs/dbraw/zinc/85/54/97/1025855497.db2.gz KKFPUTOZMMVSDM-MRVPVSSYSA-N -1 0 317.323 -0.693 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)c1 ZINC001571133420 1025855678 /nfs/dbraw/zinc/85/56/78/1025855678.db2.gz NDWAHXMUNLWFIW-UHFFFAOYSA-N -1 0 317.367 -0.032 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C1CC1 ZINC001571133370 1025855934 /nfs/dbraw/zinc/85/59/34/1025855934.db2.gz PHJROTCHEGRPJG-MRVPVSSYSA-N -1 0 317.323 -0.354 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](CNC(=O)c3cnon3)C2)n1 ZINC001571138465 1025856400 /nfs/dbraw/zinc/85/64/00/1025856400.db2.gz WWSQEFXWYQDCBA-QMMMGPOBSA-N -1 0 318.293 -0.186 20 0 DBADRM COC1(c2cnnn2C)CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC001571137604 1025856449 /nfs/dbraw/zinc/85/64/49/1025856449.db2.gz INHOMTGQWWHQKD-MRVPVSSYSA-N -1 0 318.355 -0.977 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C[C@@H]1CCOC[C@@H]1OC ZINC001571133854 1025856500 /nfs/dbraw/zinc/85/65/00/1025856500.db2.gz YJFJRBUOJJSQEX-AXFHLTTASA-N -1 0 317.338 -0.049 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(-n2cc[nH]c2=O)cc1 ZINC001571137962 1025856516 /nfs/dbraw/zinc/85/65/16/1025856516.db2.gz OXBFODNMIVBAHH-UHFFFAOYSA-N -1 0 318.289 -0.492 20 0 DBADRM Cn1nc(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cc1C(=O)[O-] ZINC001571137349 1025856627 /nfs/dbraw/zinc/85/66/27/1025856627.db2.gz DGQUMHNQTJNWGA-SSDOTTSWSA-N -1 0 318.293 -0.167 20 0 DBADRM Cn1nc(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)cc1C(=O)[O-] ZINC001571137350 1025856764 /nfs/dbraw/zinc/85/67/64/1025856764.db2.gz DGQUMHNQTJNWGA-ZETCQYMHSA-N -1 0 318.293 -0.167 20 0 DBADRM CC[C@@](COC)(NCC(=O)N[C@H](C(=O)OC)C(C)C)C(=O)[O-] ZINC001571137205 1025857000 /nfs/dbraw/zinc/85/70/00/1025857000.db2.gz ATJNZKWMNHTUCT-FZMZJTMJSA-N -1 0 318.370 -0.230 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2ccncn2)CC1 ZINC001571139820 1025858910 /nfs/dbraw/zinc/85/89/10/1025858910.db2.gz NQUFTBPEPDWFCW-MNOVXSKESA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)ccc1F ZINC001571140588 1025859055 /nfs/dbraw/zinc/85/90/55/1025859055.db2.gz GNFJTJMSZAEPSU-MNOVXSKESA-N -1 0 319.310 -0.360 20 0 DBADRM O=C([O-])c1nccc(N2C[C@@H](NC(=O)C3=CCCC3)[C@@H](O)C2)n1 ZINC001571139327 1025859079 /nfs/dbraw/zinc/85/90/79/1025859079.db2.gz JLEVCYZITYKKDW-MNOVXSKESA-N -1 0 318.333 -0.049 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1ncc[nH]1)C2 ZINC001571139369 1025859704 /nfs/dbraw/zinc/85/97/04/1025859704.db2.gz KGCZKRVCVYRNPD-ZJUUUORDSA-N -1 0 318.333 -0.195 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001571140888 1025859766 /nfs/dbraw/zinc/85/97/66/1025859766.db2.gz UJGVKYZSDIQVFT-BXKDBHETSA-N -1 0 318.351 -0.991 20 0 DBADRM Cc1cnc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001571141512 1025860793 /nfs/dbraw/zinc/86/07/93/1025860793.db2.gz XNWDEFLZRDQEDR-NAKRPEOUSA-N -1 0 318.333 -0.117 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2cncnc2)C1 ZINC001571141607 1025861223 /nfs/dbraw/zinc/86/12/23/1025861223.db2.gz ZIFYBHFUUWOTFT-HJQYOEGKSA-N -1 0 318.333 -0.178 20 0 DBADRM Cn1cc(NC(=O)Cn2cccc(C(=O)[O-])c2=O)c(C(N)=O)n1 ZINC001571141463 1025861528 /nfs/dbraw/zinc/86/15/28/1025861528.db2.gz QOXFDSZDFBADRS-UHFFFAOYSA-N -1 0 319.277 -0.982 20 0 DBADRM C[C@H]1C(=O)NCCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001571144320 1025862500 /nfs/dbraw/zinc/86/25/00/1025862500.db2.gz JKDFSZIBXTUFNQ-LURJTMIESA-N -1 0 319.364 -0.260 20 0 DBADRM Cc1cnn(-c2c(C(=O)N3CC(O)(C(=O)[O-])C3)c(C)nn2C)c1 ZINC001571143228 1025863280 /nfs/dbraw/zinc/86/32/80/1025863280.db2.gz OXFWXCOKXGUFHC-UHFFFAOYSA-N -1 0 319.321 -0.506 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)c2csc(C(=O)[O-])n2)C1 ZINC001571144454 1025863487 /nfs/dbraw/zinc/86/34/87/1025863487.db2.gz NAMNHZTZUPACHC-LURJTMIESA-N -1 0 319.364 -0.395 20 0 DBADRM Cc1conc1CS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001571143439 1025863557 /nfs/dbraw/zinc/86/35/57/1025863557.db2.gz XPUKKUGLGHFPJW-YUMQZZPRSA-N -1 0 319.339 -0.620 20 0 DBADRM Cc1c(S(=O)(=O)N[C@@H](CC2OCCO2)C(=O)[O-])cnn1C ZINC001571143319 1025863604 /nfs/dbraw/zinc/86/36/04/1025863604.db2.gz SJOSOVYBQHRQAS-QMMMGPOBSA-N -1 0 319.339 -0.777 20 0 DBADRM Cc1nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])co1 ZINC001571143128 1025863665 /nfs/dbraw/zinc/86/36/65/1025863665.db2.gz MAFBUTYPZSFUJA-ULHKAFAUSA-N -1 0 319.317 -0.110 20 0 DBADRM C[C@](CO)(NC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C(=O)[O-] ZINC001571145120 1025864605 /nfs/dbraw/zinc/86/46/05/1025864605.db2.gz LBCIGXDVDJHEFC-LLVKDONJSA-N -1 0 320.298 -0.962 20 0 DBADRM NS(=O)(=O)c1sccc1C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC001571144724 1025865197 /nfs/dbraw/zinc/86/51/97/1025865197.db2.gz VSOBNVMZYHVBRL-LURJTMIESA-N -1 0 319.364 -0.122 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001571145807 1025866095 /nfs/dbraw/zinc/86/60/95/1025866095.db2.gz KQEZDNUTHOCNHQ-HJQYOEGKSA-N -1 0 320.349 -0.316 20 0 DBADRM Cn1cncc1C(=O)N1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001571145845 1025866176 /nfs/dbraw/zinc/86/61/76/1025866176.db2.gz LXVAJQUTHQLVPB-MNOVXSKESA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1cncc1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001571146269 1025866304 /nfs/dbraw/zinc/86/63/04/1025866304.db2.gz UTRWIVIUROCGBA-GWOFURMSSA-N -1 0 320.349 -0.235 20 0 DBADRM Cc1ccn(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001571146481 1025866330 /nfs/dbraw/zinc/86/63/30/1025866330.db2.gz ZHSCMTUWRKTBKU-KXNHARMFSA-N -1 0 320.349 -0.324 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC2(CN(C(=O)c3cnon3)C2)C1 ZINC001571146390 1025866636 /nfs/dbraw/zinc/86/66/36/1025866636.db2.gz WYCXVVYKIKXEBC-BDAKNGLRSA-N -1 0 320.305 -0.535 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001571145809 1025866691 /nfs/dbraw/zinc/86/66/91/1025866691.db2.gz KQEZDNUTHOCNHQ-PDEGPIFNSA-N -1 0 320.349 -0.316 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC([C@@H]2COC(=O)N2)CC1)C(=O)[O-] ZINC001571149058 1025868292 /nfs/dbraw/zinc/86/82/92/1025868292.db2.gz KTKRVHACGIBAEQ-WPRPVWTQSA-N -1 0 320.367 -0.143 20 0 DBADRM C[C@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@@H](C(=O)[O-])O1 ZINC001571149279 1025868575 /nfs/dbraw/zinc/86/85/75/1025868575.db2.gz RGXIZLLKTHZFLR-HOTUBEGUSA-N -1 0 320.367 -0.841 20 0 DBADRM Cn1cnc(NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)cc1=O ZINC001571149995 1025869009 /nfs/dbraw/zinc/86/90/09/1025869009.db2.gz SOFHJENHDPGOKT-CYBMUJFWSA-N -1 0 321.293 -0.382 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001571148992 1025869200 /nfs/dbraw/zinc/86/92/00/1025869200.db2.gz IIFLQWBFGNVWKR-QMMMGPOBSA-N -1 0 320.367 -0.964 20 0 DBADRM CS(=O)(=O)CC1(C(=O)NC2CCN(C(=O)[O-])CC2)COC1 ZINC001571149391 1025869548 /nfs/dbraw/zinc/86/95/48/1025869548.db2.gz WPKCCUBWERNTKA-UHFFFAOYSA-N -1 0 320.367 -0.694 20 0 DBADRM CCCC[C@@H](NS(=O)(=O)CCn1nc(C)oc1=O)C(=O)[O-] ZINC001571150246 1025870399 /nfs/dbraw/zinc/87/03/99/1025870399.db2.gz BUAFEWJUMMLDDU-SECBINFHSA-N -1 0 321.355 -0.292 20 0 DBADRM CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001571150502 1025870423 /nfs/dbraw/zinc/87/04/23/1025870423.db2.gz IFYYSRSNSGJTFJ-JXUBOQSCSA-N -1 0 321.337 -0.604 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001571151008 1025870859 /nfs/dbraw/zinc/87/08/59/1025870859.db2.gz QGCMFJPDSCEKFZ-ZYUZMQFOSA-N -1 0 321.337 -0.542 20 0 DBADRM NC(=O)CN(C(=O)Cc1ccc(C(=O)[O-])nc1)C1CCOCC1 ZINC001571150587 1025870886 /nfs/dbraw/zinc/87/08/86/1025870886.db2.gz KRDYZGVLTXKRFK-UHFFFAOYSA-N -1 0 321.333 -0.185 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)COCC(=O)NCc1cccnc1 ZINC001571150949 1025871009 /nfs/dbraw/zinc/87/10/09/1025871009.db2.gz PECSSFNPAHVOQA-NEPJUHHUSA-N -1 0 321.333 -0.306 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(Cc2noc3c2COCC3)C1 ZINC001571150296 1025871162 /nfs/dbraw/zinc/87/11/62/1025871162.db2.gz DUYLORYNMULFFA-NXEZZACHSA-N -1 0 321.333 -0.232 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)CNC(=O)c1ccccc1 ZINC001571152734 1025872043 /nfs/dbraw/zinc/87/20/43/1025872043.db2.gz DKNYKXCUBCIPFF-LLVKDONJSA-N -1 0 322.317 -0.251 20 0 DBADRM O=C([O-])N1CCC(NC(=O)CNC(=O)c2ncccc2O)CC1 ZINC001571152866 1025872716 /nfs/dbraw/zinc/87/27/16/1025872716.db2.gz HXJBMTDMZXQHCD-UHFFFAOYSA-N -1 0 322.321 -0.224 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N2CCC(C(=O)NCCO)CC2)c1 ZINC001571151378 1025872853 /nfs/dbraw/zinc/87/28/53/1025872853.db2.gz VKWZLASSOHJLMY-UHFFFAOYSA-N -1 0 321.333 -0.260 20 0 DBADRM Cn1cnc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001571151531 1025872881 /nfs/dbraw/zinc/87/28/81/1025872881.db2.gz ZOOCPVRUGWWLSN-AATLWQCWSA-N -1 0 321.337 -0.840 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CNC(=O)N3CCCC3)C2)nn1 ZINC001571152843 1025873220 /nfs/dbraw/zinc/87/32/20/1025873220.db2.gz GTPJISARLNLRIF-UHFFFAOYSA-N -1 0 322.325 -0.835 20 0 DBADRM NC(=O)N1CC[C@@H](CNC(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001571154376 1025874207 /nfs/dbraw/zinc/87/42/07/1025874207.db2.gz XBKDYKVNHFDKRL-VIFPVBQESA-N -1 0 322.321 -0.937 20 0 DBADRM C[C@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@]1(C)C(=O)[O-] ZINC001571155660 1025874233 /nfs/dbraw/zinc/87/42/33/1025874233.db2.gz CCTPAUGDTXKWBK-BONVTDFDSA-N -1 0 322.365 -0.050 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC001571154304 1025874614 /nfs/dbraw/zinc/87/46/14/1025874614.db2.gz KGKBNVOKNFKFJS-QMMMGPOBSA-N -1 0 321.380 -0.676 20 0 DBADRM C[C@@]1(CO)C[C@H](O)CN1S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001571154917 1025874634 /nfs/dbraw/zinc/87/46/34/1025874634.db2.gz XSJTVKCWLXMHHN-JQWIXIFHSA-N -1 0 321.395 -0.221 20 0 DBADRM COC(=O)[C@@](C)(CO)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001571158366 1025875545 /nfs/dbraw/zinc/87/55/45/1025875545.db2.gz LADLNIIQOSPUOK-SNVBAGLBSA-N -1 0 323.348 -0.351 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c(=O)n1 ZINC001571158409 1025875636 /nfs/dbraw/zinc/87/56/36/1025875636.db2.gz LXSMBHOXBXKWSC-CYBMUJFWSA-N -1 0 323.349 -0.456 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001571156393 1025875954 /nfs/dbraw/zinc/87/59/54/1025875954.db2.gz USQPRTKDPMOGLO-UWVGGRQHSA-N -1 0 322.383 -0.784 20 0 DBADRM COC(=O)CCCS(=O)(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001571158346 1025876728 /nfs/dbraw/zinc/87/67/28/1025876728.db2.gz JYBBYTMLDYEEQN-ZJUUUORDSA-N -1 0 323.367 -0.404 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@](C)(CO)C(=O)[O-] ZINC001571158084 1025876875 /nfs/dbraw/zinc/87/68/75/1025876875.db2.gz GPMMDRPFOJHMDK-KBVBSXBZSA-N -1 0 323.367 -0.527 20 0 DBADRM COC(=O)[C@](C)(CO)NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001571157736 1025876957 /nfs/dbraw/zinc/87/69/57/1025876957.db2.gz BLEOIGVKSOKCDH-LNLATYFQSA-N -1 0 323.367 -0.527 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)n1 ZINC001571159148 1025877540 /nfs/dbraw/zinc/87/75/40/1025877540.db2.gz ZHLOQWUGYRRQEC-PHIMTYICSA-N -1 0 323.353 -0.048 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(CCCN2CCCC2=O)CC1 ZINC001571160633 1025877869 /nfs/dbraw/zinc/87/78/69/1025877869.db2.gz CMZVGKXXZSZFKH-OLZOCXBDSA-N -1 0 323.393 -0.136 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)C1 ZINC001571158586 1025878164 /nfs/dbraw/zinc/87/81/64/1025878164.db2.gz OTJFETLUPKZDGY-UMNHJUIQSA-N -1 0 323.353 -0.020 20 0 DBADRM COC(=O)N1CC(C)(NC(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001571159597 1025879048 /nfs/dbraw/zinc/87/90/48/1025879048.db2.gz JYPPNHXHFAPIMF-UHFFFAOYSA-N -1 0 323.305 -0.497 20 0 DBADRM O=C([O-])[C@H](CC1CC1)NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001571159603 1025879063 /nfs/dbraw/zinc/87/90/63/1025879063.db2.gz KIFWVRFBYKVYCB-IUCAKERBSA-N -1 0 323.309 -0.630 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2ccc[nH]c2=O)C[C@@H]1C(=O)[O-] ZINC001571160175 1025879194 /nfs/dbraw/zinc/87/91/94/1025879194.db2.gz VMLCGZAROSVIKA-UWVGGRQHSA-N -1 0 323.305 -0.198 20 0 DBADRM CCc1cc(CNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)[nH]n1 ZINC001571163591 1025879952 /nfs/dbraw/zinc/87/99/52/1025879952.db2.gz NJPHKHCRDUXTLU-GHMZBOCLSA-N -1 0 324.337 -0.013 20 0 DBADRM CO[C@@H]1CN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)[C@@](C)(C(=O)[O-])C1 ZINC001571163578 1025880061 /nfs/dbraw/zinc/88/00/61/1025880061.db2.gz NBSRMOGXNGJXSQ-CYFJXOGMSA-N -1 0 324.337 -0.322 20 0 DBADRM CCOc1ccc(C(=O)NCC(=O)N[C@](C)(CO)C(=O)[O-])cc1 ZINC001571163884 1025880131 /nfs/dbraw/zinc/88/01/31/1025880131.db2.gz UTJKSQGXULAQMS-OAHLLOKOSA-N -1 0 324.333 -0.233 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001571163000 1025880147 /nfs/dbraw/zinc/88/01/47/1025880147.db2.gz BQOGFAWSBRAWOG-QIBSRJKCSA-N -1 0 324.337 -0.345 20 0 DBADRM CN(C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21)[C@@H]1COC[C@H]1O ZINC001571163450 1025880246 /nfs/dbraw/zinc/88/02/46/1025880246.db2.gz MJXRAFOIYPRQNV-XXILOJSOSA-N -1 0 324.337 -0.183 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C1 ZINC001571163245 1025880293 /nfs/dbraw/zinc/88/02/93/1025880293.db2.gz IWLHMNFENWBVFA-IUCAKERBSA-N -1 0 324.337 -0.487 20 0 DBADRM COCc1noc(CN2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001571163406 1025880332 /nfs/dbraw/zinc/88/03/32/1025880332.db2.gz KRXKTOYUEKYYAS-UWVGGRQHSA-N -1 0 324.337 -0.419 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C1 ZINC001571163243 1025880932 /nfs/dbraw/zinc/88/09/32/1025880932.db2.gz IWLHMNFENWBVFA-BDAKNGLRSA-N -1 0 324.337 -0.487 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2nccn(C)c2=O)C[C@@H]1C(=O)[O-] ZINC001571163622 1025881092 /nfs/dbraw/zinc/88/10/92/1025881092.db2.gz ONMJNAGDBJNWFU-JGVFFNPUSA-N -1 0 324.293 -0.882 20 0 DBADRM C[C@@H](CNC(=O)C=C1CCC1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001571820152 1026187045 /nfs/dbraw/zinc/18/70/45/1026187045.db2.gz POJMLUKTDGHQQL-VIFPVBQESA-N -1 0 323.353 -0.237 20 0 DBADRM C/C=C(/C)C(=O)N(C)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001571854473 1026198704 /nfs/dbraw/zinc/19/87/04/1026198704.db2.gz QSWPERYCMKAPNL-BZJXQOFCSA-N -1 0 311.342 -0.381 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@]2(C)C=CCC2)c1[O-] ZINC001572349141 1026361673 /nfs/dbraw/zinc/36/16/73/1026361673.db2.gz LAQWGUYGYBUTCI-MEBBXXQBSA-N -1 0 322.365 -0.013 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@@]2(C)C=CCC2)c1[O-] ZINC001572349140 1026362386 /nfs/dbraw/zinc/36/23/86/1026362386.db2.gz LAQWGUYGYBUTCI-BONVTDFDSA-N -1 0 322.365 -0.013 20 0 DBADRM C=CC(=O)N(CC)CC(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001573345011 1026554074 /nfs/dbraw/zinc/55/40/74/1026554074.db2.gz DNWMKPSUMFAKIJ-SECBINFHSA-N -1 0 300.311 -0.647 20 0 DBADRM C=Cc1ccc(C(=O)N[C@H](CO)CNC(=O)CNC(=O)[O-])cc1 ZINC001573385172 1026558343 /nfs/dbraw/zinc/55/83/43/1026558343.db2.gz WHGCWIDZMCBJKY-LBPRGKRZSA-N -1 0 321.333 -0.196 20 0 DBADRM CC(=O)N[C@](C)(C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(C)C ZINC001573371201 1026558457 /nfs/dbraw/zinc/55/84/57/1026558457.db2.gz RSJDGEWUKSCDIO-ITMYJUKJSA-N -1 0 315.370 -0.369 20 0 DBADRM CC(=O)NC1CCC(C(=O)Nc2ncn(CC(=O)[O-])n2)CC1 ZINC001573370086 1026558918 /nfs/dbraw/zinc/55/89/18/1026558918.db2.gz CPRSHAFJYDCQIV-UHFFFAOYSA-N -1 0 309.326 -0.004 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001573370495 1026559068 /nfs/dbraw/zinc/55/90/68/1026559068.db2.gz IQSOBDZZWUWRTI-FRRDWIJNSA-N -1 0 321.333 -0.305 20 0 DBADRM C=CS(=O)(=O)CCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001573379340 1026559077 /nfs/dbraw/zinc/55/90/77/1026559077.db2.gz CYNAZWKJZPTDOT-SECBINFHSA-N -1 0 318.351 -0.873 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001573381273 1026559124 /nfs/dbraw/zinc/55/91/24/1026559124.db2.gz FWPQLNTVXNKOHG-SFYZADRCSA-N -1 0 318.355 -0.744 20 0 DBADRM C[C@H]([C@@H](C)C(=O)NCc1[nH]cnc1C(=O)[O-])S(C)(=O)=O ZINC001573398973 1026560657 /nfs/dbraw/zinc/56/06/57/1026560657.db2.gz KFYYEQIIPFGLJA-RNFRBKRXSA-N -1 0 303.340 -0.207 20 0 DBADRM CC(=O)c1nn(C)cc1OCC(=O)N1CCN(C(=O)[O-])CC1 ZINC001573397120 1026560667 /nfs/dbraw/zinc/56/06/67/1026560667.db2.gz GDJUBQKGVMZHLF-UHFFFAOYSA-N -1 0 310.310 -0.176 20 0 DBADRM CC(=O)c1cncc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC001573398278 1026561843 /nfs/dbraw/zinc/56/18/43/1026561843.db2.gz ZHQZEMLBSBNIBC-YUMQZZPRSA-N -1 0 307.306 -0.008 20 0 DBADRM C[C@H](C(=O)[O-])C1CN(C(=O)NCc2nnc3n2CCOC3)C1 ZINC001573398607 1026561858 /nfs/dbraw/zinc/56/18/58/1026561858.db2.gz GYADEVSAMOBCNL-QMMMGPOBSA-N -1 0 309.326 -0.330 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001573401267 1026562822 /nfs/dbraw/zinc/56/28/22/1026562822.db2.gz BLFXBPYHTOAMDC-VIFPVBQESA-N -1 0 323.353 -0.666 20 0 DBADRM CC(=O)CCCC(=O)N[C@H]1CN(C(=O)CNC(=O)[O-])C[C@H]1C ZINC001573400509 1026563414 /nfs/dbraw/zinc/56/34/14/1026563414.db2.gz WXIGMSWCTHLSON-KOLCDFICSA-N -1 0 313.354 -0.024 20 0 DBADRM CC(=O)N(C)c1ccc(NC(=O)N2CC(O)(C(=O)[O-])C2)cn1 ZINC001573400597 1026563846 /nfs/dbraw/zinc/56/38/46/1026563846.db2.gz DEVCNCGVFKGJPK-UHFFFAOYSA-N -1 0 308.294 -0.273 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H](C)CN(C)c1ccnc(C(=O)[O-])n1 ZINC001573403557 1026565155 /nfs/dbraw/zinc/56/51/55/1026565155.db2.gz RSVYCXNMTODTAG-VIFPVBQESA-N -1 0 323.353 -0.406 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@@H]2CSCC(=O)N2)cn1 ZINC001573407308 1026565786 /nfs/dbraw/zinc/56/57/86/1026565786.db2.gz GXBBRMRVXNHMDW-QMMMGPOBSA-N -1 0 312.351 -0.127 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573407349 1026566256 /nfs/dbraw/zinc/56/62/56/1026566256.db2.gz IXOKLXHOUSUGES-VHSXEESVSA-N -1 0 315.370 -0.374 20 0 DBADRM CC(=O)N1CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])[C@@H](C)C1 ZINC001573414951 1026567375 /nfs/dbraw/zinc/56/73/75/1026567375.db2.gz XQRUAJBBWBGGOG-MVWJERBFSA-N -1 0 313.354 -0.262 20 0 DBADRM CC(=O)N1CCC[C@@H](n2cc(CNC(=O)CNC(=O)[O-])nn2)C1 ZINC001573411485 1026567480 /nfs/dbraw/zinc/56/74/80/1026567480.db2.gz SDZKUZDLIYYGRP-LLVKDONJSA-N -1 0 324.341 -0.655 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1 ZINC001573413142 1026567674 /nfs/dbraw/zinc/56/76/74/1026567674.db2.gz BDHUXFVPJMLPSX-GZMMTYOYSA-N -1 0 310.310 -0.022 20 0 DBADRM CC(=O)N1CCC(OC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001573411755 1026568088 /nfs/dbraw/zinc/56/80/88/1026568088.db2.gz WAQHXPMPDMZTJP-OLZOCXBDSA-N -1 0 310.350 -0.055 20 0 DBADRM CC(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC001573410381 1026568141 /nfs/dbraw/zinc/56/81/41/1026568141.db2.gz NQCUQEGIMQAUNZ-IUCAKERBSA-N -1 0 313.354 -0.661 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)[C@@H](C)C1 ZINC001573414943 1026568462 /nfs/dbraw/zinc/56/84/62/1026568462.db2.gz XKIJKSQDNZHQIZ-ZETCQYMHSA-N -1 0 316.339 -0.651 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)CNC(=O)CNC(=O)[O-] ZINC001573422164 1026568964 /nfs/dbraw/zinc/56/89/64/1026568964.db2.gz PTKQQLCZGZQPHA-QMMMGPOBSA-N -1 0 316.358 -0.963 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)CCN(C)c1ncc(C(=O)[O-])cn1 ZINC001573421768 1026569293 /nfs/dbraw/zinc/56/92/93/1026569293.db2.gz LSXFSCJMYOCVLV-SECBINFHSA-N -1 0 323.353 -0.406 20 0 DBADRM CC(=O)N[C@@](C)(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(C)C ZINC001573418705 1026569551 /nfs/dbraw/zinc/56/95/51/1026569551.db2.gz RSJDGEWUKSCDIO-UINNMSKDSA-N -1 0 315.370 -0.369 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)CNC(=O)[O-] ZINC001573420325 1026569310 /nfs/dbraw/zinc/56/93/10/1026569310.db2.gz AMRYZMUIDDXPRY-MRVPVSSYSA-N -1 0 316.358 -0.868 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001573422879 1026569347 /nfs/dbraw/zinc/56/93/47/1026569347.db2.gz SWQPGUQRZJGBQI-DTWKUNHWSA-N -1 0 323.353 -0.042 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CN(C)c1ncc(C(=O)[O-])cn1 ZINC001573420528 1026569753 /nfs/dbraw/zinc/56/97/53/1026569753.db2.gz COEVRLMPPPXZBC-DTWKUNHWSA-N -1 0 323.353 -0.360 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@@H](C)NC(=O)CNC(=O)[O-] ZINC001573421780 1026569879 /nfs/dbraw/zinc/56/98/79/1026569879.db2.gz MIPOMBGZYKJRIH-HTQZYQBOSA-N -1 0 316.358 -0.822 20 0 DBADRM CC(=O)N[C@@](C)(C(=O)NCCC(=O)NCCC(=O)[O-])C(C)C ZINC001573419115 1026569912 /nfs/dbraw/zinc/56/99/12/1026569912.db2.gz YFFQNSJDWKLPDM-CQSZACIVSA-N -1 0 315.370 -0.366 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001573419123 1026570129 /nfs/dbraw/zinc/57/01/29/1026570129.db2.gz YHILNSUUFPVAKC-CJNGLKHVSA-N -1 0 320.345 -0.088 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001573422881 1026570146 /nfs/dbraw/zinc/57/01/46/1026570146.db2.gz SWQPGUQRZJGBQI-IUCAKERBSA-N -1 0 323.353 -0.042 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)[C@H]1C ZINC001573427976 1026571012 /nfs/dbraw/zinc/57/10/12/1026571012.db2.gz NRUCJPZCJNMOAT-KCJUWKMLSA-N -1 0 321.337 -0.288 20 0 DBADRM CC(=O)NCC(=O)N(C)[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573427827 1026571039 /nfs/dbraw/zinc/57/10/39/1026571039.db2.gz KANFBSYXEHQSDP-MRVPVSSYSA-N -1 0 309.326 -0.430 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1CNc1ccnc(C(=O)[O-])n1 ZINC001573427815 1026571078 /nfs/dbraw/zinc/57/10/78/1026571078.db2.gz JSCZUFSTZCFMFB-JTQLQIEISA-N -1 0 321.337 -0.864 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)/C=C\C(=O)[O-] ZINC001573427635 1026571513 /nfs/dbraw/zinc/57/15/13/1026571513.db2.gz DAYZDQWFSWRWPX-KHKGIKIOSA-N -1 0 311.338 -0.741 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001573427605 1026571562 /nfs/dbraw/zinc/57/15/62/1026571562.db2.gz CDWGOWGQKYBAHJ-OUAUKWLOSA-N -1 0 311.338 -0.907 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573422990 1026571917 /nfs/dbraw/zinc/57/19/17/1026571917.db2.gz VLJUKBAXMZVFID-YUMQZZPRSA-N -1 0 309.326 -0.384 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)/C=C/C(=O)[O-] ZINC001573427634 1026572099 /nfs/dbraw/zinc/57/20/99/1026572099.db2.gz DAYZDQWFSWRWPX-DNGSPIRNSA-N -1 0 311.338 -0.741 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001573423356 1026572209 /nfs/dbraw/zinc/57/22/09/1026572209.db2.gz XLIOMVBNAYOECZ-SFYZADRCSA-N -1 0 309.326 -0.962 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001573422921 1026572242 /nfs/dbraw/zinc/57/22/42/1026572242.db2.gz UCJUVGQCDSZSJC-MRVPVSSYSA-N -1 0 323.353 -0.572 20 0 DBADRM CC(=O)NCC(=O)NC[C@@H](Nc1ccnc(C(=O)[O-])n1)C(C)C ZINC001573430189 1026572485 /nfs/dbraw/zinc/57/24/85/1026572485.db2.gz PJEUOSBPAPIBGF-SNVBAGLBSA-N -1 0 323.353 -0.715 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)NCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001573429218 1026572800 /nfs/dbraw/zinc/57/28/00/1026572800.db2.gz FKCDZFAPQYDSGL-UWVGGRQHSA-N -1 0 313.354 -0.898 20 0 DBADRM CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(C(=O)[O-])cn1 ZINC001573430696 1026572922 /nfs/dbraw/zinc/57/29/22/1026572922.db2.gz VNOBHVFCNAGFPQ-QWRGUYRKSA-N -1 0 319.321 -0.900 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC001573429869 1026573422 /nfs/dbraw/zinc/57/34/22/1026573422.db2.gz MRDILBOOFXDUEO-UHFFFAOYSA-N -1 0 322.321 -0.355 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001573429058 1026573555 /nfs/dbraw/zinc/57/35/55/1026573555.db2.gz BHLVVVVEKNCQOS-NSHDSACASA-N -1 0 313.354 -0.658 20 0 DBADRM CC(=O)NCC(=O)NCCN(c1ccnc(C(=O)[O-])n1)C1CC1 ZINC001573429167 1026573580 /nfs/dbraw/zinc/57/35/80/1026573580.db2.gz FCTJNOBKDWSNKZ-UHFFFAOYSA-N -1 0 321.337 -0.604 20 0 DBADRM CC(=O)NCC(=O)N1CCCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001573428462 1026573738 /nfs/dbraw/zinc/57/37/38/1026573738.db2.gz XODHHKGAMGMTAM-UHFFFAOYSA-N -1 0 321.337 -0.650 20 0 DBADRM CC(=O)N[C@H](C(=O)N[C@H](CC1OCCO1)C(=O)[O-])C(C)(C)C ZINC001573436870 1026574514 /nfs/dbraw/zinc/57/45/14/1026574514.db2.gz ZJHUJDWYHZTTIS-MWLCHTKSSA-N -1 0 316.354 -0.130 20 0 DBADRM CC(=O)NC[C@@H]1CC2(CO1)CCN(C(=O)CNC(=O)[O-])CC2 ZINC001573433938 1026575257 /nfs/dbraw/zinc/57/52/57/1026575257.db2.gz JEEKUOIAGQLIAR-NSHDSACASA-N -1 0 313.354 -0.212 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)C(N)=O ZINC001573436477 1026575859 /nfs/dbraw/zinc/57/58/59/1026575859.db2.gz QWAYVVAKRGRLAI-BHDSKKPTSA-N -1 0 311.338 -0.920 20 0 DBADRM CC(=O)NCc1cccc(C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001573435607 1026576036 /nfs/dbraw/zinc/57/60/36/1026576036.db2.gz CJPSIYHIKWHDKS-UHFFFAOYSA-N -1 0 307.306 -0.747 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNC(=O)[O-])[C@@H](O)C1 ZINC001573464223 1026577667 /nfs/dbraw/zinc/57/76/67/1026577667.db2.gz DSZLUJTXCOUXDL-SFYZADRCSA-N -1 0 303.315 -0.650 20 0 DBADRM CC(C)(C)OC(=O)CCCC(=O)N(CC(N)=O)CC(=O)[O-] ZINC001573459142 1026578008 /nfs/dbraw/zinc/57/80/08/1026578008.db2.gz BHVGLASQGKZWKF-UHFFFAOYSA-N -1 0 302.327 -0.103 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1CN(C(=O)[C@H](O)CC(=O)[O-])CCO1 ZINC001573460708 1026578146 /nfs/dbraw/zinc/57/81/46/1026578146.db2.gz OVJPRHOPBUMXEC-RKDXNWHRSA-N -1 0 303.311 -0.609 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001573468505 1026579195 /nfs/dbraw/zinc/57/91/95/1026579195.db2.gz NQBLOUWJDPPWCP-DTWKUNHWSA-N -1 0 302.327 -0.195 20 0 DBADRM CC(C)(CC(=O)[O-])NC(=O)CNS(=O)(=O)c1cccnc1 ZINC001573467922 1026579807 /nfs/dbraw/zinc/57/98/07/1026579807.db2.gz ZYHSNCJDWTTXPC-UHFFFAOYSA-N -1 0 315.351 -0.271 20 0 DBADRM CC(C)(CNS(C)(=O)=O)NC(=O)NCC1(C(=O)[O-])CCC1 ZINC001573477914 1026580133 /nfs/dbraw/zinc/58/01/33/1026580133.db2.gz FIYYTOBYKPBHNQ-UHFFFAOYSA-N -1 0 321.399 -0.132 20 0 DBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)N[C@H](CO)CC(=O)[O-] ZINC001573469316 1026579864 /nfs/dbraw/zinc/57/98/64/1026579864.db2.gz LYWJJXXDLYNGCH-VIFPVBQESA-N -1 0 318.370 -0.352 20 0 DBADRM CC(C)(C)c1cc(C(=O)N[C@@H](CO)CC(=O)[O-])nc2ncnn21 ZINC001573475511 1026580330 /nfs/dbraw/zinc/58/03/30/1026580330.db2.gz QBUXNPSWFRZMMU-MRVPVSSYSA-N -1 0 321.337 -0.013 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CC([C@H](C)C(=O)[O-])C1 ZINC001573524460 1026583653 /nfs/dbraw/zinc/58/36/53/1026583653.db2.gz DIFDEDSGDKLGLM-VIFPVBQESA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001573492506 1026582010 /nfs/dbraw/zinc/58/20/10/1026582010.db2.gz SGJGPQFMIRDRKW-UWVGGRQHSA-N -1 0 313.354 -0.674 20 0 DBADRM CC(C)[C@@H](CNC(=O)C[C@]1(C)CCS(=O)(=O)N1)C(=O)[O-] ZINC001573489612 1026582235 /nfs/dbraw/zinc/58/22/35/1026582235.db2.gz GFIBZMJGNVPOQZ-SKDRFNHKSA-N -1 0 306.384 -0.069 20 0 DBADRM CC(C)(O)[C@H](O)CN1CCC(C(=O)[O-])(S(C)(=O)=O)CC1 ZINC001573485340 1026582310 /nfs/dbraw/zinc/58/23/10/1026582310.db2.gz YKOMQNGOSGKXLJ-SECBINFHSA-N -1 0 309.384 -0.918 20 0 DBADRM CC(C)C[C@H](NC(=O)[C@H](O)C(C)(C)O)c1nc(C(=O)[O-])n[nH]1 ZINC001573506650 1026583610 /nfs/dbraw/zinc/58/36/10/1026583610.db2.gz SOZZMIDNSTXNDH-YUMQZZPRSA-N -1 0 314.342 -0.162 20 0 DBADRM CC(C)CN1C[C@H](C(=O)NCc2nc(C(=O)[O-])n[nH]2)CC1=O ZINC001573516036 1026583916 /nfs/dbraw/zinc/58/39/16/1026583916.db2.gz IGJONHALPTVARH-MRVPVSSYSA-N -1 0 309.326 -0.376 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001573519501 1026584493 /nfs/dbraw/zinc/58/44/93/1026584493.db2.gz NTGJFHSYVHMEEX-MRVPVSSYSA-N -1 0 311.298 -0.678 20 0 DBADRM CC(C)COC(=O)[C@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573516049 1026584989 /nfs/dbraw/zinc/58/49/89/1026584989.db2.gz IQEGCVUGNYDWCI-ZETCQYMHSA-N -1 0 319.339 -0.026 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001573524877 1026585359 /nfs/dbraw/zinc/58/53/59/1026585359.db2.gz JIJNZSIMVIZJCL-UHFFFAOYSA-N -1 0 311.342 -0.487 20 0 DBADRM C[C@H](CNS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001573550686 1026588668 /nfs/dbraw/zinc/58/86/68/1026588668.db2.gz HNDMTJMIZLZCBE-BDAKNGLRSA-N -1 0 313.397 -0.549 20 0 DBADRM C[C@@H](CC(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1)NC(N)=O ZINC001573536245 1026586116 /nfs/dbraw/zinc/58/61/16/1026586116.db2.gz WXVHGDTZZBJODH-PPRQPISWSA-N -1 0 319.383 -0.742 20 0 DBADRM C[C@H](CNC(=O)N1CC[C@H](CNS(C)(=O)=O)C1)CC(=O)[O-] ZINC001573544141 1026586149 /nfs/dbraw/zinc/58/61/49/1026586149.db2.gz FZOAZCPSQAXHHX-VHSXEESVSA-N -1 0 321.399 -0.322 20 0 DBADRM C[C@H](CCC(=O)[O-])NC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC001573541511 1026586227 /nfs/dbraw/zinc/58/62/27/1026586227.db2.gz VWTHKCUKRDLZKP-SECBINFHSA-N -1 0 321.399 -0.050 20 0 DBADRM C[C@@H](CCC(=O)[O-])NC(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001573540727 1026586304 /nfs/dbraw/zinc/58/63/04/1026586304.db2.gz NRPAQQKQVBMBRN-GZMMTYOYSA-N -1 0 308.356 -0.912 20 0 DBADRM CC(C)n1nnc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001573535126 1026586757 /nfs/dbraw/zinc/58/67/57/1026586757.db2.gz HYPHHZAZBRFCMD-HTQZYQBOSA-N -1 0 313.318 -0.654 20 0 DBADRM C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC001573544126 1026586861 /nfs/dbraw/zinc/58/68/61/1026586861.db2.gz FTLLJBWKTRZTIA-QMMMGPOBSA-N -1 0 318.326 -0.059 20 0 DBADRM C[C@@H](CC(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1)NC(N)=O ZINC001573536243 1026587385 /nfs/dbraw/zinc/58/73/85/1026587385.db2.gz WXVHGDTZZBJODH-HXNGOWOSSA-N -1 0 319.383 -0.742 20 0 DBADRM C[C@@](CNC(=O)CCNC(=O)CO)(C(=O)[O-])c1ccccc1 ZINC001573544039 1026587655 /nfs/dbraw/zinc/58/76/55/1026587655.db2.gz DMSYZGNGSZWGLK-HNNXBMFYSA-N -1 0 308.334 -0.356 20 0 DBADRM C[C@@H](CNC(=O)NC[C@]1(CO)COCCN1C)CC(=O)[O-] ZINC001573544145 1026588640 /nfs/dbraw/zinc/58/86/40/1026588640.db2.gz GAFZGRLQRDOSOU-MFKMUULPSA-N -1 0 303.359 -0.911 20 0 DBADRM C[C@@](CO)(Cn1cnc2ccccc21)NC(=O)[C@H](O)CC(=O)[O-] ZINC001573551754 1026589021 /nfs/dbraw/zinc/58/90/21/1026589021.db2.gz OTYFFJYFXUCFPI-DOMZBBRYSA-N -1 0 321.333 -0.261 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H](C)c1nc(C(=O)[O-])n[nH]1 ZINC001573551350 1026589987 /nfs/dbraw/zinc/58/99/87/1026589987.db2.gz SKRRDFIGLXBYHR-RITPCOANSA-N -1 0 304.328 -0.639 20 0 DBADRM C[C@@H](CNS(=O)(=O)N=[S@](C)(=O)N(C)C)CC(=O)[O-] ZINC001573551818 1026590016 /nfs/dbraw/zinc/59/00/16/1026590016.db2.gz PKAGRTWMXYJFGM-GJEGPGMTSA-N -1 0 301.390 -0.494 20 0 DBADRM C[C@@H](NC(=O)c1cnn2c1NCCC2)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573560170 1026590673 /nfs/dbraw/zinc/59/06/73/1026590673.db2.gz RFDDQVSLGCFIGR-SFYZADRCSA-N -1 0 309.326 -0.594 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)Cc1nnc(C2CC2)[nH]1)C(=O)[O-] ZINC001573554311 1026590888 /nfs/dbraw/zinc/59/08/88/1026590888.db2.gz RYOKEXODGNQZIW-BQBZGAKWSA-N -1 0 309.326 -0.681 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@]1(C)CCCS1(=O)=O)C(=O)[O-] ZINC001573554059 1026591081 /nfs/dbraw/zinc/59/10/81/1026591081.db2.gz PWIFSEQIEZFJTN-YVZVNANGSA-N -1 0 320.367 -0.952 20 0 DBADRM C[C@H](NC(=O)[C@H](C)Nc1nccc(S(C)(=O)=O)n1)C(=O)[O-] ZINC001573559468 1026591290 /nfs/dbraw/zinc/59/12/90/1026591290.db2.gz DFDNWMOBCWIVST-BQBZGAKWSA-N -1 0 316.339 -0.730 20 0 DBADRM C[C@H](NC(=O)C1(S(C)(=O)=O)CC1)c1nc(C(=O)[O-])n[nH]1 ZINC001573560127 1026591770 /nfs/dbraw/zinc/59/17/70/1026591770.db2.gz QAMQCMIXVBLVFT-YFKPBYRVSA-N -1 0 302.312 -0.743 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCOC(=O)N1)C1(C(=O)[O-])CCOCC1 ZINC001573560526 1026592098 /nfs/dbraw/zinc/59/20/98/1026592098.db2.gz UZKLZRMLJWHGRM-BDAKNGLRSA-N -1 0 300.311 -0.129 20 0 DBADRM C[C@@H](NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1)C(=O)[O-] ZINC001573569203 1026592512 /nfs/dbraw/zinc/59/25/12/1026592512.db2.gz QWDRHYNYCCMFEV-FXAINCCUSA-N -1 0 307.306 -0.431 20 0 DBADRM C[C@@H](NC(=O)NCc1cc(C(=O)[O-])no1)[C@@H]1CN(C)CCO1 ZINC001573561545 1026592668 /nfs/dbraw/zinc/59/26/68/1026592668.db2.gz HQOKUYPZTOYSAD-KCJUWKMLSA-N -1 0 312.326 -0.109 20 0 DBADRM C[C@H](NC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO)c1cnn(C)c1 ZINC001573563334 1026592763 /nfs/dbraw/zinc/59/27/63/1026592763.db2.gz SWRVIRIUZZWYIG-GDPRMGEGSA-N -1 0 311.342 -0.249 20 0 DBADRM C[C@@H](NC(=O)Nc1nn(C)cc1C(=O)[O-])C1N=NC(=O)N1C ZINC001573563881 1026592897 /nfs/dbraw/zinc/59/28/97/1026592897.db2.gz XGDOLXVMTMOGNR-RXMQYKEDSA-N -1 0 309.286 -0.165 20 0 DBADRM C[C@@H](NC(=O)Cc1nnc(C2CC2)[nH]1)c1nc(C(=O)[O-])n[nH]1 ZINC001573562509 1026593357 /nfs/dbraw/zinc/59/33/57/1026593357.db2.gz NBCWGIIBRCCILF-RXMQYKEDSA-N -1 0 305.298 -0.082 20 0 DBADRM C[C@H](NC(=O)CCCS(N)(=O)=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC001573561055 1026593379 /nfs/dbraw/zinc/59/33/79/1026593379.db2.gz BQUVLGNATIHDLQ-VHSXEESVSA-N -1 0 321.399 -0.050 20 0 DBADRM C[C@H](NC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO)c1ncn(C)n1 ZINC001573562963 1026593389 /nfs/dbraw/zinc/59/33/89/1026593389.db2.gz QPGCSRVVDRWERS-YIZRAAEISA-N -1 0 312.330 -0.854 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCCc2nn[nH]c21)c1nc(C(=O)[O-])n[nH]1 ZINC001573560598 1026593870 /nfs/dbraw/zinc/59/38/70/1026593870.db2.gz VXAXYAADJDZQNL-RITPCOANSA-N -1 0 305.298 -0.082 20 0 DBADRM C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CCN(C(=O)[O-])CC1 ZINC001573568901 1026594147 /nfs/dbraw/zinc/59/41/47/1026594147.db2.gz HUJRCORIVZIEMO-INTQDDNPSA-N -1 0 313.354 -0.086 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCCn2ncnc21)c1nc(C(=O)[O-])n[nH]1 ZINC001573560990 1026594198 /nfs/dbraw/zinc/59/41/98/1026594198.db2.gz ZGYYZYYEUPOOKP-NKWVEPMBSA-N -1 0 305.298 -0.151 20 0 DBADRM C[C@@H](NC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)C1N=NC(=O)N1C ZINC001573563606 1026594332 /nfs/dbraw/zinc/59/43/32/1026594332.db2.gz WKGFTAATLIBDLD-LURQLKTLSA-N -1 0 309.326 -0.056 20 0 DBADRM C[C@@H](NC(=O)c1cncc2[nH]cnc21)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573560795 1026594370 /nfs/dbraw/zinc/59/43/70/1026594370.db2.gz XZABVXAQTXTRGP-RQJHMYQMSA-N -1 0 305.294 -0.335 20 0 DBADRM C[C@](O)(CNC(=O)Cn1nnnc1-c1ccccc1)C(=O)[O-] ZINC001573580698 1026595290 /nfs/dbraw/zinc/59/52/90/1026595290.db2.gz FBZAOAUWASHRHE-ZDUSSCGKSA-N -1 0 305.294 -0.708 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001573581073 1026595943 /nfs/dbraw/zinc/59/59/43/1026595943.db2.gz HMXOIFYNYAFQSV-WNCDQNTKSA-N -1 0 320.345 -0.222 20 0 DBADRM C[C@](O)(CNS(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1)C(=O)[O-] ZINC001573579643 1026596173 /nfs/dbraw/zinc/59/61/73/1026596173.db2.gz AHIRYVRVWLREFD-SCVCMEIPSA-N -1 0 307.368 -0.301 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-] ZINC001573581108 1026596244 /nfs/dbraw/zinc/59/62/44/1026596244.db2.gz IFKSZPJQCZFAJG-JHEQGTHGSA-N -1 0 301.217 -0.716 20 0 DBADRM C[C@](O)(CNS(=O)(=O)C[C@@H]1CCC2(CCC2)O1)C(=O)[O-] ZINC001573580667 1026596259 /nfs/dbraw/zinc/59/62/59/1026596259.db2.gz DFNRRXVLVOXSHW-ONGXEEELSA-N -1 0 307.368 -0.157 20 0 DBADRM C[C@@H](NS(=O)(=O)c1c[nH]cn1)C1(C(=O)[O-])CCOCC1 ZINC001573578623 1026596284 /nfs/dbraw/zinc/59/62/84/1026596284.db2.gz ISTARBFGVCHZAM-MRVPVSSYSA-N -1 0 303.340 -0.042 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H](CC(=O)[O-])c1ccncc1 ZINC001573578527 1026596547 /nfs/dbraw/zinc/59/65/47/1026596547.db2.gz GWUZPIXMUAJOSI-WCBMZHEXSA-N -1 0 315.351 -0.349 20 0 DBADRM C[C@@H](CNC(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O)C(=O)[O-] ZINC001573593837 1026597769 /nfs/dbraw/zinc/59/77/69/1026597769.db2.gz QPOWKIBRVGLPTE-VHSXEESVSA-N -1 0 313.354 -0.620 20 0 DBADRM C[C@@H]1C[C@H](CS(=O)(=O)N(CC(N)=O)CC(=O)[O-])CCO1 ZINC001573635188 1026605356 /nfs/dbraw/zinc/60/53/56/1026605356.db2.gz WJHLMJZTZBAERQ-RKDXNWHRSA-N -1 0 308.356 -0.997 20 0 DBADRM C[C@@]1(C(=O)Nc2cccn(CC(=O)[O-])c2=O)CCNC(=O)C1 ZINC001573600891 1026599848 /nfs/dbraw/zinc/59/98/48/1026599848.db2.gz KTCJYLYFTFEHTF-CQSZACIVSA-N -1 0 307.306 -0.212 20 0 DBADRM C[C@]1(C(=O)NCCn2cnc(C(=O)[O-])c2)CCCS1(=O)=O ZINC001573596627 1026600081 /nfs/dbraw/zinc/60/00/81/1026600081.db2.gz JQSKLJOWGMGYHC-GFCCVEGCSA-N -1 0 315.351 -0.335 20 0 DBADRM C[C@]1(C(=O)[O-])CN(C(=O)c2cccnc2OCCO)CCO1 ZINC001573606074 1026602183 /nfs/dbraw/zinc/60/21/83/1026602183.db2.gz IOMZXWGCFUQXCV-CQSZACIVSA-N -1 0 310.306 -0.232 20 0 DBADRM C[C@]1(C(=O)[O-])CN(C(=O)NC2CCC(C(N)=O)CC2)CCO1 ZINC001573602743 1026602221 /nfs/dbraw/zinc/60/22/21/1026602221.db2.gz VULYMTJGWNZFIA-RPFQZYLTSA-N -1 0 313.354 -0.084 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(C(=O)c2cccn3c(=O)[nH]nc23)CCO1 ZINC001573605627 1026602321 /nfs/dbraw/zinc/60/23/21/1026602321.db2.gz BMXKJHSXYWNMRS-ZDUSSCGKSA-N -1 0 306.278 -0.249 20 0 DBADRM CC1(Cn2cc(C(=O)NC3(CC(=O)[O-])COC3)nn2)COC1 ZINC001573622133 1026602937 /nfs/dbraw/zinc/60/29/37/1026602937.db2.gz HRITYBPOHFNGBI-UHFFFAOYSA-N -1 0 310.310 -0.712 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC001573625257 1026602964 /nfs/dbraw/zinc/60/29/64/1026602964.db2.gz HYBDTWKKZOBAJY-VIFPVBQESA-N -1 0 301.324 -0.499 20 0 DBADRM C[C@@]1(NS(=O)(=O)Cc2cc(C(=O)[O-])no2)CCNC1=O ZINC001573625292 1026603193 /nfs/dbraw/zinc/60/31/93/1026603193.db2.gz IPBILJCDGSYOHS-SNVBAGLBSA-N -1 0 303.296 -0.929 20 0 DBADRM C[C@H]1CN(CC(=O)N(C)CC(=O)[O-])CCN1c1cnccn1 ZINC001573649807 1026605420 /nfs/dbraw/zinc/60/54/20/1026605420.db2.gz RXIDVXFMNKLSLS-NSHDSACASA-N -1 0 307.354 -0.470 20 0 DBADRM C[C@H]1C[C@@H](CS(=O)(=O)N(CC(N)=O)CC(=O)[O-])CCO1 ZINC001573635185 1026606017 /nfs/dbraw/zinc/60/60/17/1026606017.db2.gz WJHLMJZTZBAERQ-IUCAKERBSA-N -1 0 308.356 -0.997 20 0 DBADRM C[C@@H](O)c1ncc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])s1 ZINC001573635227 1026606103 /nfs/dbraw/zinc/60/61/03/1026606103.db2.gz KNQAWMMIJFEFNE-VXNVDRBHSA-N -1 0 320.392 -0.120 20 0 DBADRM C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001573635847 1026606165 /nfs/dbraw/zinc/60/61/65/1026606165.db2.gz NIGDDTUQKBSEGN-QMMMGPOBSA-N -1 0 316.335 -0.840 20 0 DBADRM C[C@@H]1C[C@@H](CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC001573635826 1026606862 /nfs/dbraw/zinc/60/68/62/1026606862.db2.gz ZQSTZKPXOOQDTQ-VWYCJHECSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@@H]1CC[C@H](CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)O1 ZINC001573636416 1026607281 /nfs/dbraw/zinc/60/72/81/1026607281.db2.gz PGTOPZPCZQNYOZ-DBIOUOCHSA-N -1 0 301.343 -0.176 20 0 DBADRM C[C@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)c1cnn(CCO)c1 ZINC001573654938 1026608053 /nfs/dbraw/zinc/60/80/53/1026608053.db2.gz OTTJJTCHNLWIQM-VIFPVBQESA-N -1 0 319.321 -0.185 20 0 DBADRM C[C@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)NCc1cnnn1C ZINC001573655835 1026608189 /nfs/dbraw/zinc/60/81/89/1026608189.db2.gz ZZXYALOQOPEUHZ-QMMMGPOBSA-N -1 0 319.325 -0.176 20 0 DBADRM CC[C@H](C(=O)N1CCC(C(=O)NCC(=O)[O-])CC1)[C@@H](C)O ZINC001573660192 1026608681 /nfs/dbraw/zinc/60/86/81/1026608681.db2.gz HUDDMFYHWSTPFE-KOLCDFICSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)c1cnn(CCO)c1 ZINC001573654937 1026609270 /nfs/dbraw/zinc/60/92/70/1026609270.db2.gz OTTJJTCHNLWIQM-SECBINFHSA-N -1 0 319.321 -0.185 20 0 DBADRM CC[C@@H](C)NC(=O)CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001573679867 1026617011 /nfs/dbraw/zinc/61/70/11/1026617011.db2.gz YAZXGCQBSNMBNH-ZJUUUORDSA-N -1 0 321.399 -0.325 20 0 DBADRM CC1(C)OC[C@H](/C=C\C(=O)N2CCN(C(=O)C(=O)[O-])CC2)O1 ZINC001573677755 1026617036 /nfs/dbraw/zinc/61/70/36/1026617036.db2.gz CSELFZHCCJXRLG-XOULXFPDSA-N -1 0 312.322 -0.551 20 0 DBADRM CC1=C(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])Cn2nnnc2N1C ZINC001573690986 1026620230 /nfs/dbraw/zinc/62/02/30/1026620230.db2.gz SASWOSGOZVVUCD-GMSGAONNSA-N -1 0 306.326 -0.139 20 0 DBADRM C[C@]12CN(C(=O)C3(C(=O)[O-])CCOCC3)C[C@@]1(C)C(=O)NC2=O ZINC001573689680 1026621021 /nfs/dbraw/zinc/62/10/21/1026621021.db2.gz PQQFPRPGNAKZTO-OKILXGFUSA-N -1 0 324.333 -0.621 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N1CC[C@@](O)(C(=O)OC)C1 ZINC001573724319 1026625481 /nfs/dbraw/zinc/62/54/81/1026625481.db2.gz IKKGFWSTJWPJRR-KCJUWKMLSA-N -1 0 309.340 -0.821 20 0 DBADRM CCC1(CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)COC1 ZINC001573710467 1026622311 /nfs/dbraw/zinc/62/23/11/1026622311.db2.gz ZJQXFCWSKLXDEB-UWVGGRQHSA-N -1 0 301.343 -0.317 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cnc(N)nc1 ZINC001573710933 1026622831 /nfs/dbraw/zinc/62/28/31/1026622831.db2.gz INAVMLJJFRZVDE-HTQZYQBOSA-N -1 0 300.340 -0.067 20 0 DBADRM CC[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])N1CCO[C@H](CC)C1 ZINC001573723375 1026623601 /nfs/dbraw/zinc/62/36/01/1026623601.db2.gz WWFUBYMTEHGCGQ-UHIISALHSA-N -1 0 302.371 -0.172 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N[C@](C)(COC)C(=O)OC ZINC001573724395 1026624872 /nfs/dbraw/zinc/62/48/72/1026624872.db2.gz JRZVFNKMKNYZEB-GZMMTYOYSA-N -1 0 311.356 -0.263 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N1CCC(=O)NCC12COC2 ZINC001573725350 1026624930 /nfs/dbraw/zinc/62/49/30/1026624930.db2.gz YQOSXRGOFAWUHF-VIFPVBQESA-N -1 0 320.367 -0.840 20 0 DBADRM CCCCC(=O)N1CCN(c2nc(N)nc(C(=O)[O-])n2)CC1 ZINC001573732886 1026625147 /nfs/dbraw/zinc/62/51/47/1026625147.db2.gz ACPRGPMUPCTWJW-UHFFFAOYSA-N -1 0 308.342 -0.009 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N1CCO[C@H](CC(N)=O)C1 ZINC001573725198 1026625228 /nfs/dbraw/zinc/62/52/28/1026625228.db2.gz XUBCIQZQXOPEJP-RKDXNWHRSA-N -1 0 308.356 -0.854 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)OC ZINC001573724651 1026625424 /nfs/dbraw/zinc/62/54/24/1026625424.db2.gz OMNBPUQOEQMJOD-HRDYMLBCSA-N -1 0 309.340 -0.822 20 0 DBADRM CCC[C@@H](CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001573733036 1026625523 /nfs/dbraw/zinc/62/55/23/1026625523.db2.gz CATGQOUOOVHXKL-ZETCQYMHSA-N -1 0 319.339 -0.735 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N[C@@](C)(COC)C(=O)OC ZINC001573724397 1026625794 /nfs/dbraw/zinc/62/57/94/1026625794.db2.gz JRZVFNKMKNYZEB-KWQFWETISA-N -1 0 311.356 -0.263 20 0 DBADRM C[C@H]1OCC[C@@]1(C)NC(=O)NCCOCCOCC(=O)[O-] ZINC001573758034 1026626935 /nfs/dbraw/zinc/62/69/35/1026626935.db2.gz MJILVHNBEVUREJ-ZWNOBZJWSA-N -1 0 304.343 -0.029 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001573733904 1026627062 /nfs/dbraw/zinc/62/70/62/1026627062.db2.gz PQFHXVQXZIZTTP-HLTSFMKQSA-N -1 0 316.358 -0.693 20 0 DBADRM CCCNS(=O)(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001573759442 1026627362 /nfs/dbraw/zinc/62/73/62/1026627362.db2.gz GRMPLZOKYLQODR-SFHVURJKSA-N -1 0 312.413 -0.472 20 0 DBADRM CCCN([C@H](C)C(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC001573751627 1026627732 /nfs/dbraw/zinc/62/77/32/1026627732.db2.gz YRSDKNQFJSWUKU-MRVPVSSYSA-N -1 0 301.386 -0.454 20 0 DBADRM C[C@H]1OCC[C@]1(C)NC(=O)NCCOCCOCC(=O)[O-] ZINC001573758032 1026627990 /nfs/dbraw/zinc/62/79/90/1026627990.db2.gz MJILVHNBEVUREJ-MFKMUULPSA-N -1 0 304.343 -0.029 20 0 DBADRM C[C@H]1CS(=O)(=O)CCCN1C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001573747558 1026628433 /nfs/dbraw/zinc/62/84/33/1026628433.db2.gz PNSWXZYZWKIMCH-ZETCQYMHSA-N -1 0 301.324 -0.243 20 0 DBADRM CCCn1cc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)nn1 ZINC001573764798 1026628552 /nfs/dbraw/zinc/62/85/52/1026628552.db2.gz NIXNZSHEFIWVIO-NEPJUHHUSA-N -1 0 319.321 0.000 20 0 DBADRM CCC[C@H](O)[C@H](CO)NC(=O)CC1(C(=O)[O-])CCOCC1 ZINC001573734018 1026628703 /nfs/dbraw/zinc/62/87/03/1026628703.db2.gz PURNJAVIXIFQSY-QWRGUYRKSA-N -1 0 303.355 -0.104 20 0 DBADRM CCCn1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)nn1 ZINC001573764804 1026628749 /nfs/dbraw/zinc/62/87/49/1026628749.db2.gz NIXNZSHEFIWVIO-RYUDHWBXSA-N -1 0 319.321 0.000 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C ZINC001573769593 1026629452 /nfs/dbraw/zinc/62/94/52/1026629452.db2.gz CLRKMLLVEOPUOO-VIFPVBQESA-N -1 0 301.343 -0.674 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)NCc2[nH]cnc2C(=O)[O-])CC1=O ZINC001573777241 1026629588 /nfs/dbraw/zinc/62/95/88/1026629588.db2.gz MMAYAWINURDMAY-ZETCQYMHSA-N -1 0 316.339 -0.852 20 0 DBADRM CCNC(=O)C(C)(C)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573778526 1026632770 /nfs/dbraw/zinc/63/27/70/1026632770.db2.gz ZBUIBBLJFIQQHJ-UHFFFAOYSA-N -1 0 318.355 -0.452 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N1CCC[C@@](COC)(C(=O)[O-])C1 ZINC001573785518 1026633439 /nfs/dbraw/zinc/63/34/39/1026633439.db2.gz ATJKRMZCBMOUPI-QMTHXVAHSA-N -1 0 317.338 -0.360 20 0 DBADRM CCOC(=O)Cc1csc(CNC(=O)[C@H](O)CC(=O)[O-])n1 ZINC001573787721 1026634005 /nfs/dbraw/zinc/63/40/05/1026634005.db2.gz JZMRXDMNWOLEQJ-MRVPVSSYSA-N -1 0 316.335 -0.300 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC001573786383 1026634675 /nfs/dbraw/zinc/63/46/75/1026634675.db2.gz QGZBBDPMCXAGCZ-RNCFNFMXSA-N -1 0 303.311 -0.702 20 0 DBADRM CCOC(=O)[C@@]1(COC)CCCN(C(=O)[C@@H](O)CC(=O)[O-])C1 ZINC001573785993 1026634788 /nfs/dbraw/zinc/63/47/88/1026634788.db2.gz ZMCXAHRWEXZBEA-HZMBPMFUSA-N -1 0 317.338 -0.360 20 0 DBADRM CCOC(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001573788206 1026635016 /nfs/dbraw/zinc/63/50/16/1026635016.db2.gz UEXCJISTOJHVDP-QWRGUYRKSA-N -1 0 311.294 -0.570 20 0 DBADRM CCOC(=O)[C@H]1CCCN(CC(=O)N[C@@H](CO)CC(=O)[O-])C1 ZINC001573786418 1026635045 /nfs/dbraw/zinc/63/50/45/1026635045.db2.gz RQYGTJUZFJRPDC-WDEREUQCSA-N -1 0 316.354 -0.787 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573801962 1026635937 /nfs/dbraw/zinc/63/59/37/1026635937.db2.gz KIOTUEXEMIDLQZ-DTWKUNHWSA-N -1 0 319.339 -0.420 20 0 DBADRM CCO[C@@H]1COC[C@H]1NS(=O)(=O)Cc1cc(C(=O)[O-])no1 ZINC001573801002 1026636284 /nfs/dbraw/zinc/63/62/84/1026636284.db2.gz FZRBTGGLHKSZGD-NXEZZACHSA-N -1 0 320.323 -0.404 20 0 DBADRM CCOCn1nc(C)c(CC(=O)N[C@H](CO)CC(=O)[O-])c1C ZINC001573803101 1026636663 /nfs/dbraw/zinc/63/66/63/1026636663.db2.gz XHIVHSSTVZFRQY-NSHDSACASA-N -1 0 313.354 -0.012 20 0 DBADRM CCO[C@H]1C[C@@H](NC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)C1 ZINC001573800956 1026636794 /nfs/dbraw/zinc/63/67/94/1026636794.db2.gz CPGSXEZTOWHUJK-ZNSHCXBVSA-N -1 0 301.343 -0.176 20 0 DBADRM CCOC(=O)c1cnn(CC(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC001573794024 1026637167 /nfs/dbraw/zinc/63/71/67/1026637167.db2.gz UKHMFFKJIQRALY-VIFPVBQESA-N -1 0 310.310 -0.222 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)c1cc(C(=O)[O-])nn1C ZINC001573809825 1026637872 /nfs/dbraw/zinc/63/78/72/1026637872.db2.gz WNPIAGKSJBHTMD-SSDOTTSWSA-N -1 0 318.355 -0.824 20 0 DBADRM CCS(=O)(=O)N1CCN(Cc2nc(C(=O)[O-])no2)CC1 ZINC001573807652 1026638284 /nfs/dbraw/zinc/63/82/84/1026638284.db2.gz RZUVEPVMPNOUIB-UHFFFAOYSA-N -1 0 304.328 -0.765 20 0 DBADRM CCS(=O)(=O)N1CCC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001573807774 1026638464 /nfs/dbraw/zinc/63/84/64/1026638464.db2.gz YLQFCCOEERRWMR-GHMZBOCLSA-N -1 0 318.395 -0.115 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC001573807538 1026638681 /nfs/dbraw/zinc/63/86/81/1026638681.db2.gz NPQXURWZZBLNTL-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001573806969 1026639390 /nfs/dbraw/zinc/63/93/90/1026639390.db2.gz AGFGDRWBFNJFQX-DTWKUNHWSA-N -1 0 308.356 -0.936 20 0 DBADRM CCS(=O)(=O)c1ccc(CNC(=O)[C@H](O)CC(=O)[O-])s1 ZINC001573807647 1026639477 /nfs/dbraw/zinc/63/94/77/1026639477.db2.gz ROGTZTKLZRPDMC-MRVPVSSYSA-N -1 0 321.376 -0.007 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001573807819 1026639490 /nfs/dbraw/zinc/63/94/90/1026639490.db2.gz ZVJZXPQXADPWBO-WDEREUQCSA-N -1 0 318.395 -0.019 20 0 DBADRM CC[C@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@]1(F)C(=O)[O-] ZINC001573817077 1026639658 /nfs/dbraw/zinc/63/96/58/1026639658.db2.gz KHZSLGSOMPZBJB-MWODSPESSA-N -1 0 317.317 -0.972 20 0 DBADRM CCn1ccc(CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001573847441 1026640917 /nfs/dbraw/zinc/64/09/17/1026640917.db2.gz ORSVKHVKAFJGNW-MWLCHTKSSA-N -1 0 311.342 -0.327 20 0 DBADRM CCCN(C(=O)c1cc(C(=O)[O-])n[nH]1)[C@@H]1CC(=O)N(C)C1=O ZINC001573849359 1026641458 /nfs/dbraw/zinc/64/14/58/1026641458.db2.gz CKYGWWWAVCEMQX-SECBINFHSA-N -1 0 308.294 -0.283 20 0 DBADRM CCc1c[nH]c(CNS(=O)(=O)N2CCN(C(=O)[O-])CC2)n1 ZINC001573825813 1026641689 /nfs/dbraw/zinc/64/16/89/1026641689.db2.gz HXEPEERWMKLWSJ-UHFFFAOYSA-N -1 0 317.371 -0.398 20 0 DBADRM CN(C(=O)[C@H]1CC(C(=O)[O-])=NN1c1ccccc1)c1nn[nH]n1 ZINC001573851742 1026642645 /nfs/dbraw/zinc/64/26/45/1026642645.db2.gz YKDBESNJPDXQKY-SNVBAGLBSA-N -1 0 315.293 -0.118 20 0 DBADRM CN(C(=O)CCN1CCCS1(=O)=O)c1nc(C(=O)[O-])co1 ZINC001573851863 1026643621 /nfs/dbraw/zinc/64/36/21/1026643621.db2.gz FJQJOGZHRVBEAG-UHFFFAOYSA-N -1 0 317.323 -0.239 20 0 DBADRM CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H](C(=O)[O-])c1cccnc1 ZINC001573856461 1026643876 /nfs/dbraw/zinc/64/38/76/1026643876.db2.gz NJTPGEUNYMFVSK-WCBMZHEXSA-N -1 0 306.278 -0.736 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)c1nccnc1C(N)=O ZINC001573864486 1026644533 /nfs/dbraw/zinc/64/45/33/1026644533.db2.gz FUVMTDRLCBFQFV-VIFPVBQESA-N -1 0 321.337 -0.665 20 0 DBADRM CN(CC(=O)N[C@@H](CC(=O)[O-])c1ccncc1)S(C)(=O)=O ZINC001573864495 1026644681 /nfs/dbraw/zinc/64/46/81/1026644681.db2.gz GZBNZYQFJCALCS-JTQLQIEISA-N -1 0 315.351 -0.395 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(Cn2ncc(C(=O)[O-])n2)o1 ZINC001573864145 1026645171 /nfs/dbraw/zinc/64/51/71/1026645171.db2.gz UMDCHTQGVNDHEB-UHFFFAOYSA-N -1 0 300.296 -0.132 20 0 DBADRM CN(CC(=O)Nc1c(C(=O)[O-])cnn1C)Cc1ccn(C)n1 ZINC001573864442 1026645621 /nfs/dbraw/zinc/64/56/21/1026645621.db2.gz CXAPZONOPRISDS-UHFFFAOYSA-N -1 0 306.326 -0.078 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001573863603 1026646029 /nfs/dbraw/zinc/64/60/29/1026646029.db2.gz GTDUTRPRCDMUQC-WCABBAIRSA-N -1 0 304.368 -0.553 20 0 DBADRM CN(CCS(N)(=O)=O)CC(=O)Nc1ccccc1C(=O)[O-] ZINC001573873117 1026646826 /nfs/dbraw/zinc/64/68/26/1026646826.db2.gz VZXVSPBHNAJOQB-UHFFFAOYSA-N -1 0 315.351 -0.456 20 0 DBADRM CN(CC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-])S(C)(=O)=O ZINC001573865177 1026647637 /nfs/dbraw/zinc/64/76/37/1026647637.db2.gz SHESTIGDJCMJLK-IUCAKERBSA-N -1 0 308.356 -0.984 20 0 DBADRM CN(CCNC(=O)c1cc(C(=O)[O-])no1)CCS(C)(=O)=O ZINC001573872750 1026647677 /nfs/dbraw/zinc/64/76/77/1026647677.db2.gz JCDDPAJSGMMHGT-UHFFFAOYSA-N -1 0 319.339 -0.921 20 0 DBADRM CN(C[C@@H](O)CN1CCO[C@@H](C(=O)[O-])C1)CC(F)(F)F ZINC001573869492 1026647728 /nfs/dbraw/zinc/64/77/28/1026647728.db2.gz BMBNGDMOJMPMCM-RKDXNWHRSA-N -1 0 300.277 -0.373 20 0 DBADRM CN(C[C@H](O)CN1CCO[C@H](C(=O)[O-])C1)CC(F)(F)F ZINC001573869491 1026648166 /nfs/dbraw/zinc/64/81/66/1026648166.db2.gz BMBNGDMOJMPMCM-IUCAKERBSA-N -1 0 300.277 -0.373 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccncc1 ZINC001573882669 1026649458 /nfs/dbraw/zinc/64/94/58/1026649458.db2.gz LUNYGTDVZAFYGM-RAIGVLPGSA-N -1 0 321.333 -0.305 20 0 DBADRM CN1C[C@H](CN2CCC(C(=O)[O-])([S@@](C)=O)CC2)OC1=O ZINC001573883341 1026650581 /nfs/dbraw/zinc/65/05/81/1026650581.db2.gz VAGTYTDATSHRNO-GSDQLPOLSA-N -1 0 304.368 -0.265 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)CC1=O ZINC001573882838 1026651018 /nfs/dbraw/zinc/65/10/18/1026651018.db2.gz KGJFDXOKSBEDJE-BIMULSAOSA-N -1 0 321.333 -0.447 20 0 DBADRM CN1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001573882759 1026651101 /nfs/dbraw/zinc/65/11/01/1026651101.db2.gz HXRBMQSBEUKVQW-UEKVPHQBSA-N -1 0 312.366 -0.561 20 0 DBADRM CN1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)N1CCN(C(=O)[O-])CC1 ZINC001573883401 1026651146 /nfs/dbraw/zinc/65/11/46/1026651146.db2.gz XNGQWMMOCDATNA-PHIMTYICSA-N -1 0 318.399 -0.695 20 0 DBADRM CN1CCN(S(=O)(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1 ZINC001573885207 1026651915 /nfs/dbraw/zinc/65/19/15/1026651915.db2.gz OTDQCRQWHFSGDT-AXFHLTTASA-N -1 0 303.384 -0.584 20 0 DBADRM CN1CCN(S(=O)(=O)C2CCN(C(=O)[O-])CC2)C[C@@H]1CO ZINC001573884401 1026652050 /nfs/dbraw/zinc/65/20/50/1026652050.db2.gz FGNDPVNDVRXIFR-SNVBAGLBSA-N -1 0 321.399 -0.933 20 0 DBADRM CN1N=C(C(=O)NCc2nc(CC(=O)[O-])cs2)CCC1=O ZINC001573889372 1026652621 /nfs/dbraw/zinc/65/26/21/1026652621.db2.gz JWWAKWDHXVCKSR-UHFFFAOYSA-N -1 0 310.335 -0.005 20 0 DBADRM CNC(=O)C1(NC(=O)c2cnc(C(=O)[O-])s2)CCOCC1 ZINC001573889126 1026653485 /nfs/dbraw/zinc/65/34/85/1026653485.db2.gz BETVKQAHLXKLMX-UHFFFAOYSA-N -1 0 313.335 -0.134 20 0 DBADRM CNC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC001573890816 1026654309 /nfs/dbraw/zinc/65/43/09/1026654309.db2.gz XSJMQEJJRWUSKM-SFYZADRCSA-N -1 0 302.356 -0.431 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)c2cc(C(=O)[O-])c(C)[nH]2)n1 ZINC001573890460 1026654760 /nfs/dbraw/zinc/65/47/60/1026654760.db2.gz PISOUKJEVBJSEU-UHFFFAOYSA-N -1 0 306.282 -0.389 20 0 DBADRM CNC(=O)N[C@H]1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC001573890820 1026655328 /nfs/dbraw/zinc/65/53/28/1026655328.db2.gz XSJMQEJJRWUSKM-YUMQZZPRSA-N -1 0 302.356 -0.431 20 0 DBADRM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001573889517 1026655569 /nfs/dbraw/zinc/65/55/69/1026655569.db2.gz PTTRZHVRIMYIMZ-DTWKUNHWSA-N -1 0 304.368 -0.172 20 0 DBADRM CNS(=O)(=O)C1CCN(Cc2nc(C(=O)[O-])no2)CC1 ZINC001573902665 1026656624 /nfs/dbraw/zinc/65/66/24/1026656624.db2.gz DTDVRNFSSSZMBY-UHFFFAOYSA-N -1 0 304.328 -0.719 20 0 DBADRM CCOC(=O)C[C@H](O)CN1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001573894922 1026656759 /nfs/dbraw/zinc/65/67/59/1026656759.db2.gz PJPGLRYQAGHWQO-GWCFXTLKSA-N -1 0 305.327 -0.898 20 0 DBADRM CNC(=O)c1ccc(NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)nn1 ZINC001573896620 1026656852 /nfs/dbraw/zinc/65/68/52/1026656852.db2.gz OXOWJAVWGPEPIN-SSDOTTSWSA-N -1 0 308.298 -0.290 20 0 DBADRM CCOC(=O)CCN(C(=O)c1cn(CC(=O)[O-])nn1)C1CC1 ZINC001573895940 1026657853 /nfs/dbraw/zinc/65/78/53/1026657853.db2.gz KAUNFURTCQHERL-UHFFFAOYSA-N -1 0 310.310 -0.080 20 0 DBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H](O)CC(=O)[O-])c1 ZINC001573909714 1026659228 /nfs/dbraw/zinc/65/92/28/1026659228.db2.gz BTXBIXPZVXYVOQ-SNVBAGLBSA-N -1 0 316.335 -0.323 20 0 DBADRM CNc1nnc(CC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)s1 ZINC001573910708 1026659441 /nfs/dbraw/zinc/65/94/41/1026659441.db2.gz STDKJVUCHIJPJV-BQBZGAKWSA-N -1 0 315.355 -0.791 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H](COC)C(=O)[O-])c(C)o1 ZINC001573910219 1026659545 /nfs/dbraw/zinc/65/95/45/1026659545.db2.gz IKWITCKPCCIPGE-QMMMGPOBSA-N -1 0 320.323 -0.674 20 0 DBADRM COC(=O)[C@H](C[C@H]1CCCO1)NCC(=O)N(C)CC(=O)[O-] ZINC001573907861 1026659876 /nfs/dbraw/zinc/65/98/76/1026659876.db2.gz RTFHTFMUPRYZMR-ZJUUUORDSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)[C@](C)(NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CC1 ZINC001573907943 1026659976 /nfs/dbraw/zinc/65/99/76/1026659976.db2.gz STDAYXCZLQWJIT-LLVKDONJSA-N -1 0 317.323 -0.272 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)CC(C)(C)C(=O)[O-] ZINC001573907703 1026660096 /nfs/dbraw/zinc/66/00/96/1026660096.db2.gz RQMQFBPRGMGEPN-MRVPVSSYSA-N -1 0 303.311 -0.092 20 0 DBADRM COC(=O)[C@@](C)(NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CC1 ZINC001573907944 1026660148 /nfs/dbraw/zinc/66/01/48/1026660148.db2.gz STDAYXCZLQWJIT-NSHDSACASA-N -1 0 317.323 -0.272 20 0 DBADRM COC(=O)C[C@@]1(NS(=O)(=O)C2(C(=O)[O-])CCC2)CCOC1 ZINC001573914601 1026661175 /nfs/dbraw/zinc/66/11/75/1026661175.db2.gz NRUDNRRAMQVOLL-NSHDSACASA-N -1 0 321.351 -0.365 20 0 DBADRM CCOCCOC[C@@H](O)CNC(=O)c1ccc(C(=O)[O-])nc1 ZINC001573913632 1026661905 /nfs/dbraw/zinc/66/19/05/1026661905.db2.gz LEVCMPDGZJGHGG-NSHDSACASA-N -1 0 312.322 -0.076 20 0 DBADRM COC(=O)[C@@]1(CNC(=O)[C@H]2CSCN2C(=O)[O-])CCOC1 ZINC001573914965 1026662004 /nfs/dbraw/zinc/66/20/04/1026662004.db2.gz DAUSDAZVVVBLHP-PRHODGIISA-N -1 0 318.351 -0.265 20 0 DBADRM COC(=O)[C@@H]1CCN1S(=O)(=O)Cc1cc(C(=O)[O-])no1 ZINC001573915815 1026662773 /nfs/dbraw/zinc/66/27/73/1026662773.db2.gz ZUOQHOJBBMMLOW-QMMMGPOBSA-N -1 0 304.280 -0.550 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1 ZINC001573915047 1026662816 /nfs/dbraw/zinc/66/28/16/1026662816.db2.gz FPCBLMLXGQDWTP-OUAUKWLOSA-N -1 0 312.322 -0.275 20 0 DBADRM COC(=O)[C@@]1(C)CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001573915400 1026662824 /nfs/dbraw/zinc/66/28/24/1026662824.db2.gz HDNGZUMRYHPLDV-NSHDSACASA-N -1 0 317.323 -0.318 20 0 DBADRM COC(=O)[C@]1(CNC(=O)[C@@H](NC(=O)[O-])C(C)C)CCOC1 ZINC001573915762 1026663920 /nfs/dbraw/zinc/66/39/20/1026663920.db2.gz JQMUBBWWPWHVJY-ZANVPECISA-N -1 0 302.327 -0.026 20 0 DBADRM COC(=O)CCNC(=O)CCNc1ncc(C(=O)[O-])c(C)n1 ZINC001573921893 1026664709 /nfs/dbraw/zinc/66/47/09/1026664709.db2.gz SYZSSPCIJICLCS-UHFFFAOYSA-N -1 0 310.310 -0.035 20 0 DBADRM COC(=O)[C@@H](F)CNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001573926270 1026665090 /nfs/dbraw/zinc/66/50/90/1026665090.db2.gz VYSQBHUHOMJYSR-YUMQZZPRSA-N -1 0 312.319 -0.872 20 0 DBADRM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)[C@H](O)CC(=O)[O-] ZINC001573921822 1026665308 /nfs/dbraw/zinc/66/53/08/1026665308.db2.gz PQOIPKHVXBLWQU-VHSXEESVSA-N -1 0 303.311 -0.607 20 0 DBADRM COC(=O)NCCC(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001573926446 1026665634 /nfs/dbraw/zinc/66/56/34/1026665634.db2.gz YSEYKKDPOKELNK-WDEREUQCSA-N -1 0 311.294 -0.570 20 0 DBADRM COC(=O)NCCC(=O)N1CCC[C@@H]1c1n[nH]nc1C(=O)[O-] ZINC001573926375 1026665638 /nfs/dbraw/zinc/66/56/38/1026665638.db2.gz WOWZYUQOZOKYCE-SSDOTTSWSA-N -1 0 311.298 -0.088 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001573934764 1026666797 /nfs/dbraw/zinc/66/67/97/1026666797.db2.gz BEVHTZKJSCPIGS-OPRDCNLKSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001573934760 1026667245 /nfs/dbraw/zinc/66/72/45/1026667245.db2.gz BEVHTZKJSCPIGS-KXUCPTDWSA-N -1 0 300.311 -0.319 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001573929124 1026667500 /nfs/dbraw/zinc/66/75/00/1026667500.db2.gz RVHCQUVSIJWHHW-VHSXEESVSA-N -1 0 322.383 -0.688 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CSC[C@H]2C(=O)[O-])C[C@H]1C ZINC001573934737 1026667807 /nfs/dbraw/zinc/66/78/07/1026667807.db2.gz AOELVUJXAHQPFH-BZNPZCIMSA-N -1 0 303.336 -0.061 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001573935022 1026668075 /nfs/dbraw/zinc/66/80/75/1026668075.db2.gz ICNUULBQBQWTJY-XAVMHZPKSA-N -1 0 300.311 -0.720 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H](C)CC(=O)[O-] ZINC001573935650 1026668854 /nfs/dbraw/zinc/66/88/54/1026668854.db2.gz WMUDIEUTVHINSD-VGMNWLOBSA-N -1 0 317.342 -0.537 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001573935231 1026668948 /nfs/dbraw/zinc/66/89/48/1026668948.db2.gz MCFUWYLZCCEAFC-RITPCOANSA-N -1 0 319.339 -0.108 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])n[nH]1 ZINC001573938700 1026669034 /nfs/dbraw/zinc/66/90/34/1026669034.db2.gz PJJDOOUWQJEDOM-RITPCOANSA-N -1 0 305.312 -0.416 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC001573935155 1026669507 /nfs/dbraw/zinc/66/95/07/1026669507.db2.gz NYURRLKGPUKRBB-KCJUWKMLSA-N -1 0 308.290 -0.163 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N[C@H]2CCN(C(=O)[O-])C2)C1 ZINC001573935436 1026669854 /nfs/dbraw/zinc/66/98/54/1026669854.db2.gz QIRYQZFZKMXPIT-XHNCKOQMSA-N -1 0 306.340 -0.390 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC001573935157 1026669957 /nfs/dbraw/zinc/66/99/57/1026669957.db2.gz OATOCFQIZYMDQS-KXUCPTDWSA-N -1 0 302.327 -0.027 20 0 DBADRM CO[C@]1(C(=O)Nc2ncc(C(=O)[O-])n2C)CCS(=O)(=O)C1 ZINC001573947672 1026671006 /nfs/dbraw/zinc/67/10/06/1026671006.db2.gz AQEPDNFSIAYUND-LLVKDONJSA-N -1 0 317.323 -0.740 20 0 DBADRM CO[C@H](CS(=O)(=O)NCc1[nH]cnc1C(=O)[O-])C1CC1 ZINC001573947644 1026671750 /nfs/dbraw/zinc/67/17/50/1026671750.db2.gz AEOBBLFGXOGYJU-SECBINFHSA-N -1 0 303.340 -0.048 20 0 DBADRM COC(=O)c1ncoc1CCC(=O)N[C@@H](CO)CC(=O)[O-] ZINC001573947582 1026671961 /nfs/dbraw/zinc/67/19/61/1026671961.db2.gz JIYXMAIKKZBASS-SSDOTTSWSA-N -1 0 300.267 -0.654 20 0 DBADRM COC(=O)c1cnc(C(=O)NCc2[nH]cnc2C(=O)[O-])cn1 ZINC001573942669 1026672125 /nfs/dbraw/zinc/67/21/25/1026672125.db2.gz RSDZRUADCJTREA-UHFFFAOYSA-N -1 0 305.250 -0.386 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@@H](C)c1nc(C(=O)[O-])n[nH]1)C1CC1 ZINC001573947991 1026672530 /nfs/dbraw/zinc/67/25/30/1026672530.db2.gz GCLOZADGLPYSMU-XPUUQOCRSA-N -1 0 318.355 -0.092 20 0 DBADRM CO[C@H]1CN(C(=O)Nc2ncn(CC(=O)[O-])n2)[C@](C)(CO)C1 ZINC001573956143 1026674260 /nfs/dbraw/zinc/67/42/60/1026674260.db2.gz AFKBXQDVJVYCRC-PELKAZGASA-N -1 0 313.314 -0.634 20 0 DBADRM CO[C@]1(C(=O)N2CC([C@H](F)C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001573949440 1026674338 /nfs/dbraw/zinc/67/43/38/1026674338.db2.gz QQFTXRKNCFAYSN-GZMMTYOYSA-N -1 0 309.315 -0.929 20 0 DBADRM CO[C@H]1COCC[C@H]1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573966536 1026677542 /nfs/dbraw/zinc/67/75/42/1026677542.db2.gz JRWBXOLHCYZPEL-CBAPKCEASA-N -1 0 319.339 -0.562 20 0 DBADRM COC[C@H](C(=O)[O-])N(C1CC1)S(=O)(=O)c1cnc(N)nc1 ZINC001573966250 1026678016 /nfs/dbraw/zinc/67/80/16/1026678016.db2.gz GDWOAYHHMAJBMC-SECBINFHSA-N -1 0 316.339 -0.689 20 0 DBADRM COCC(=O)N(C)CC(=O)Nc1nc(C(=O)[O-])c(Cl)[nH]1 ZINC001573965981 1026678084 /nfs/dbraw/zinc/67/80/84/1026678084.db2.gz CPEXIRCYGDWJLU-UHFFFAOYSA-N -1 0 304.690 -0.195 20 0 DBADRM COCC(=O)N[C@H](C(=O)NCc1cc(C(=O)[O-])no1)C(C)C ZINC001573967029 1026679900 /nfs/dbraw/zinc/67/99/00/1026679900.db2.gz QTAIYYJLYZWWEH-NSHDSACASA-N -1 0 313.310 -0.224 20 0 DBADRM COC[C@H](NC(=O)Nc1c(C(=O)[O-])nc2ccccn21)C(N)=O ZINC001573969035 1026680142 /nfs/dbraw/zinc/68/01/42/1026680142.db2.gz PNJGJTZGHQIJCK-ZETCQYMHSA-N -1 0 321.293 -0.346 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H](C)c2nc(C(=O)[O-])n[nH]2)CC1 ZINC001573975765 1026681296 /nfs/dbraw/zinc/68/12/96/1026681296.db2.gz SGBHLJWFIGXDQP-LURJTMIESA-N -1 0 304.328 -0.338 20 0 DBADRM COCC1(S(=O)(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)CC1 ZINC001573973708 1026681344 /nfs/dbraw/zinc/68/13/44/1026681344.db2.gz DSJFXRFHTVTHFY-BDAKNGLRSA-N -1 0 308.356 -0.945 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001573975739 1026681353 /nfs/dbraw/zinc/68/13/53/1026681353.db2.gz RWIXBNTZKRRNDI-RBZYPMLTSA-N -1 0 314.338 -0.641 20 0 DBADRM COCC1(S(=O)(=O)N[C@H](C)c2nc(C(=O)[O-])n[nH]2)CC1 ZINC001573975767 1026682324 /nfs/dbraw/zinc/68/23/24/1026682324.db2.gz SGBHLJWFIGXDQP-ZCFIWIBFSA-N -1 0 304.328 -0.338 20 0 DBADRM COCCn1cc(C(=O)N2CCC[N@H+](CC(=O)[O-])CC2)nn1 ZINC001573985127 1026683924 /nfs/dbraw/zinc/68/39/24/1026683924.db2.gz JOSBVDXTDKVBGQ-UHFFFAOYSA-N -1 0 311.342 -0.843 20 0 DBADRM COCCn1ccc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001573985107 1026684414 /nfs/dbraw/zinc/68/44/14/1026684414.db2.gz HJWWDFCYXDVRAM-MWLCHTKSSA-N -1 0 312.326 -0.770 20 0 DBADRM COCCn1cc(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)nn1 ZINC001573986541 1026686502 /nfs/dbraw/zinc/68/65/02/1026686502.db2.gz WZHKIBHCQQMDLP-CYBMUJFWSA-N -1 0 312.326 -0.464 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)Nc1nnc(CC(=O)[O-])s1 ZINC001573991998 1026686691 /nfs/dbraw/zinc/68/66/91/1026686691.db2.gz BJIHZFASBGOKCS-NTSWFWBYSA-N -1 0 302.312 -0.300 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001573998899 1026688151 /nfs/dbraw/zinc/68/81/51/1026688151.db2.gz KBBUOFGPRVWDQJ-IJLUTSLNSA-N -1 0 300.355 -0.751 20 0 DBADRM COc1cc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)on1 ZINC001574012470 1026689846 /nfs/dbraw/zinc/68/98/46/1026689846.db2.gz MHWIKZDNFDXMQH-GHMZBOCLSA-N -1 0 307.262 -0.005 20 0 DBADRM COc1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)nn1C ZINC001574012752 1026689955 /nfs/dbraw/zinc/68/99/55/1026689955.db2.gz RTDBPMISDCMLGK-RYUDHWBXSA-N -1 0 320.305 -0.260 20 0 DBADRM CN1CCC[C@H](C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)C1=O ZINC001574030209 1026690168 /nfs/dbraw/zinc/69/01/68/1026690168.db2.gz MULIJKZQXJUXBQ-MRVPVSSYSA-N -1 0 322.321 -0.082 20 0 DBADRM COc1cc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)on1 ZINC001574012473 1026690293 /nfs/dbraw/zinc/69/02/93/1026690293.db2.gz MHWIKZDNFDXMQH-WDEREUQCSA-N -1 0 307.262 -0.005 20 0 DBADRM COc1cccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])c1OC ZINC001574041869 1026691916 /nfs/dbraw/zinc/69/19/16/1026691916.db2.gz SJUUAJFOECACQD-GFCCVEGCSA-N -1 0 319.335 -0.182 20 0 DBADRM COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)[C@@H](OC)C(=O)[O-] ZINC001574037671 1026691940 /nfs/dbraw/zinc/69/19/40/1026691940.db2.gz FQPZJNUSHZLZTG-LPEHRKFASA-N -1 0 303.311 -0.440 20 0 DBADRM COc1ccc(NC(=O)[C@@H](O)CC(=O)[O-])cc1S(C)(=O)=O ZINC001574035454 1026692202 /nfs/dbraw/zinc/69/22/02/1026692202.db2.gz UQHHRBAFTADWIP-QMMMGPOBSA-N -1 0 317.319 -0.127 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001574037412 1026692471 /nfs/dbraw/zinc/69/24/71/1026692471.db2.gz VVAAVOJQNSXQNO-DTORHVGOSA-N -1 0 319.383 -0.427 20 0 DBADRM CNC(=O)CCNC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001574032145 1026692482 /nfs/dbraw/zinc/69/24/82/1026692482.db2.gz SKVXTCRQOZBQJD-OPASDULOSA-N -1 0 313.354 -0.166 20 0 DBADRM COC(=O)[C@H](NC(=O)COCC(=O)[O-])[C@@H]1CCC[C@H](OC)C1 ZINC001574045074 1026692632 /nfs/dbraw/zinc/69/26/32/1026692632.db2.gz ATOKHJJPBAMZBY-GBIKHYSHSA-N -1 0 317.338 -0.049 20 0 DBADRM COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001574046490 1026693094 /nfs/dbraw/zinc/69/30/94/1026693094.db2.gz LJEKDPPWAOUEEC-CLAHSXSESA-N -1 0 323.305 -0.033 20 0 DBADRM COC(=O)[C@@H](Cc1cncs1)NC(=O)COCC(=O)[O-] ZINC001574045095 1026693330 /nfs/dbraw/zinc/69/33/30/1026693330.db2.gz BBYBGRSRDBDGLN-MRVPVSSYSA-N -1 0 302.308 -0.555 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)N(CCOC)CCC(=O)[O-] ZINC001574037349 1026693425 /nfs/dbraw/zinc/69/34/25/1026693425.db2.gz SDEZVPLWKDEHAJ-UHFFFAOYSA-N -1 0 314.302 -0.881 20 0 DBADRM CNc1ncccc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001574037526 1026693677 /nfs/dbraw/zinc/69/36/77/1026693677.db2.gz BCYSZHFNOPSFQJ-SECBINFHSA-N -1 0 313.335 -0.553 20 0 DBADRM COc1ncncc1NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001574054608 1026694311 /nfs/dbraw/zinc/69/43/11/1026694311.db2.gz NDHOUTIUTQLRIE-VXNVDRBHSA-N -1 0 311.298 -0.423 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)Cc1nnc[nH]1)C[C@@H]2C(=O)[O-] ZINC001574048215 1026694519 /nfs/dbraw/zinc/69/45/19/1026694519.db2.gz YJPJVHCECBJEOI-ZYTOWTHASA-N -1 0 322.321 -0.540 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001574046938 1026694673 /nfs/dbraw/zinc/69/46/73/1026694673.db2.gz RAGGQAOWYYLVSE-FKTZTGRPSA-N -1 0 314.294 -0.605 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001574047039 1026694704 /nfs/dbraw/zinc/69/47/04/1026694704.db2.gz RQYKPGAIRDIXHU-IMSYWVGJSA-N -1 0 300.311 -0.585 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001574047047 1026695027 /nfs/dbraw/zinc/69/50/27/1026695027.db2.gz RQYKPGAIRDIXHU-QEYWKRMJSA-N -1 0 300.311 -0.585 20 0 DBADRM COc1cnc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccncc2)nc1 ZINC001574052741 1026695042 /nfs/dbraw/zinc/69/50/42/1026695042.db2.gz XDXFUOVHANYQEI-QWRGUYRKSA-N -1 0 318.289 -0.203 20 0 DBADRM C[S@@](=N)(=O)N1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC001574057530 1026696408 /nfs/dbraw/zinc/69/64/08/1026696408.db2.gz PLMSPKWBJBSDEQ-FPVGNUTFSA-N -1 0 319.387 -0.343 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001574056690 1026696689 /nfs/dbraw/zinc/69/66/89/1026696689.db2.gz DITCTURFZFICSD-SNVBAGLBSA-N -1 0 301.320 -0.480 20 0 DBADRM COC(=O)COCCNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001574066524 1026701109 /nfs/dbraw/zinc/70/11/09/1026701109.db2.gz SRQHUFPFNJFMLK-ZJUUUORDSA-N -1 0 303.311 -0.438 20 0 DBADRM COc1nn(C)cc1C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001574055143 1026697094 /nfs/dbraw/zinc/69/70/94/1026697094.db2.gz RQDTVQRZRSEPLA-MNOVXSKESA-N -1 0 320.305 -0.260 20 0 DBADRM CS(=O)(=O)C1(C(=O)[O-])CCN(C(=O)c2cocn2)CC1 ZINC001574057685 1026698197 /nfs/dbraw/zinc/69/81/97/1026698197.db2.gz VLQSVFNEVGBSMP-UHFFFAOYSA-N -1 0 302.308 -0.221 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(Cc2nc(C(=O)[O-])no2)C1 ZINC001574059072 1026698244 /nfs/dbraw/zinc/69/82/44/1026698244.db2.gz CAWPRBOASADBAE-MRVPVSSYSA-N -1 0 318.355 -0.471 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@H](CC(=O)[O-])c1ccncc1 ZINC001574059123 1026698262 /nfs/dbraw/zinc/69/82/62/1026698262.db2.gz DUGPRXLLGNREAT-SNVBAGLBSA-N -1 0 315.351 -0.347 20 0 DBADRM CS(=O)(=O)c1cccc(CNC(=O)[C@@H](O)CC(=O)[O-])c1 ZINC001574059718 1026698558 /nfs/dbraw/zinc/69/85/58/1026698558.db2.gz QEMXLCLEQUKOOD-JTQLQIEISA-N -1 0 301.320 -0.458 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N[C@H](CO)CC(=O)[O-])cn1 ZINC001574059036 1026698716 /nfs/dbraw/zinc/69/87/16/1026698716.db2.gz AKIHYIHJYZEICQ-QMMMGPOBSA-N -1 0 302.308 -0.950 20 0 DBADRM CS(=O)(=O)C1(C(=O)NCc2[nH]cnc2C(=O)[O-])CCC1 ZINC001574057658 1026698815 /nfs/dbraw/zinc/69/88/15/1026698815.db2.gz UPLKIUUYQUVJTJ-UHFFFAOYSA-N -1 0 301.324 -0.309 20 0 DBADRM COC(=O)N(C)CC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574069832 1026699870 /nfs/dbraw/zinc/69/98/70/1026699870.db2.gz NCRMYIOOFKMXTN-SECBINFHSA-N -1 0 315.326 -0.734 20 0 DBADRM COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCOC[C@@H]2C(=O)[O-])O1 ZINC001574063372 1026699975 /nfs/dbraw/zinc/69/99/75/1026699975.db2.gz ONPZIZZQENUOLJ-HBNTYKKESA-N -1 0 315.322 -0.201 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001574066693 1026700034 /nfs/dbraw/zinc/70/00/34/1026700034.db2.gz WQONXGXKZHBAFB-SECBINFHSA-N -1 0 324.293 -0.998 20 0 DBADRM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)[C@H](OC)C(=O)[O-] ZINC001574061739 1026700482 /nfs/dbraw/zinc/70/04/82/1026700482.db2.gz QOANBLZLSKYOAW-ONGXEEELSA-N -1 0 303.311 -0.343 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CCCNC(=O)C1CC1)C(=O)[O-] ZINC001574063363 1026700849 /nfs/dbraw/zinc/70/08/49/1026700849.db2.gz OBJRWDIYDCCRLL-JTQLQIEISA-N -1 0 314.338 -0.185 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1Cc1c(C(=O)[O-])cnn1C ZINC001574066686 1026700923 /nfs/dbraw/zinc/70/09/23/1026700923.db2.gz WKXGJHGHRHCNAD-SNVBAGLBSA-N -1 0 324.337 -0.628 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)N1CCO[C@@](C)(C(=O)[O-])C1 ZINC001574097111 1026703364 /nfs/dbraw/zinc/70/33/64/1026703364.db2.gz VSBMJXWMAAWYNO-QPUJVOFHSA-N -1 0 319.383 -0.522 20 0 DBADRM COC(=O)c1cc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)on1 ZINC001574081977 1026702327 /nfs/dbraw/zinc/70/23/27/1026702327.db2.gz SPYSFPUSLTUZNF-CPFSXVBKSA-N -1 0 310.262 -0.366 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)c2n[nH]cc2F)CC1 ZINC001574097663 1026705662 /nfs/dbraw/zinc/70/56/62/1026705662.db2.gz QFGLNZOGPWVEHH-HXUWFJFHSA-N -1 0 303.315 -0.013 20 0 DBADRM CSC[C@@H](NS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-] ZINC001574096690 1026703374 /nfs/dbraw/zinc/70/33/74/1026703374.db2.gz QYCLOCMJECFPDR-SSDOTTSWSA-N -1 0 316.426 -0.101 20 0 DBADRM CSC[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC001574096962 1026703391 /nfs/dbraw/zinc/70/33/91/1026703391.db2.gz VNYFZPNXTXFZGB-VIFPVBQESA-N -1 0 318.376 -0.120 20 0 DBADRM CSC[C@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC001574097220 1026703399 /nfs/dbraw/zinc/70/33/99/1026703399.db2.gz XZHPBVUSCSNFSM-ZETCQYMHSA-N -1 0 321.380 -0.782 20 0 DBADRM C[S@](=O)C1(CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)CC1 ZINC001574097761 1026704157 /nfs/dbraw/zinc/70/41/57/1026704157.db2.gz SOMCLQCIRKWWFX-SYLNSOGPSA-N -1 0 319.383 -0.833 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC001574102174 1026704485 /nfs/dbraw/zinc/70/44/85/1026704485.db2.gz RQVCFCDGBQYRBD-RKDXNWHRSA-N -1 0 308.356 -0.984 20 0 DBADRM C[C@@H]1[C@H](NC(=O)N2CCCN(C(=O)[O-])CC2)CCS1(=O)=O ZINC001574104151 1026704646 /nfs/dbraw/zinc/70/46/46/1026704646.db2.gz GPWFNDRHSBDHCZ-NXEZZACHSA-N -1 0 319.383 -0.043 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001574097671 1026704960 /nfs/dbraw/zinc/70/49/60/1026704960.db2.gz QPGAQQMNTGLTRW-KHQFGBGNSA-N -1 0 317.367 -0.397 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC001574098186 1026705106 /nfs/dbraw/zinc/70/51/06/1026705106.db2.gz YOJGTVXAHPHFCF-HTQZYQBOSA-N -1 0 314.385 -0.572 20 0 DBADRM C[C@@H]1[C@H](NC(=O)N2CC([C@H](F)C(=O)[O-])C2)CCS1(=O)=O ZINC001574104261 1026705240 /nfs/dbraw/zinc/70/52/40/1026705240.db2.gz LTTOBXHZKVGJDU-VDAHYXPESA-N -1 0 308.331 -0.374 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001574099045 1026705751 /nfs/dbraw/zinc/70/57/51/1026705751.db2.gz QPKALTQOWFLLGB-ZETCQYMHSA-N -1 0 316.339 -0.938 20 0 DBADRM C[C@@H](NS(=O)(=O)N1CCN(C(=O)[O-])CC1)c1ncc[nH]1 ZINC001574099225 1026705795 /nfs/dbraw/zinc/70/57/95/1026705795.db2.gz SJIPUWGYMRBEAZ-MRVPVSSYSA-N -1 0 303.344 -0.399 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC001574107047 1026706356 /nfs/dbraw/zinc/70/63/56/1026706356.db2.gz YLEUHWHNHIUQFF-VHSXEESVSA-N -1 0 321.289 -0.525 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001574110456 1026706562 /nfs/dbraw/zinc/70/65/62/1026706562.db2.gz FZDYRIOPJYFPJL-HTQZYQBOSA-N -1 0 316.335 -0.783 20 0 DBADRM Cc1c(C(=O)N2CCC[C@H]2c2n[nH]nc2C(=O)[O-])nnn1C ZINC001574111926 1026707538 /nfs/dbraw/zinc/70/75/38/1026707538.db2.gz CWJXGNQGQDZIBN-ZETCQYMHSA-N -1 0 305.298 -0.083 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCCN(C(=O)[O-])CC1 ZINC001574105624 1026707699 /nfs/dbraw/zinc/70/76/99/1026707699.db2.gz SNVXMWUJCZNYJW-ZJUUUORDSA-N -1 0 319.383 -0.185 20 0 DBADRM Cc1nc[nH]c1CC(=O)N1CCC(C(=O)NCC(=O)[O-])CC1 ZINC001574112462 1026707728 /nfs/dbraw/zinc/70/77/28/1026707728.db2.gz FHUBLGQRWSQWET-UHFFFAOYSA-N -1 0 308.338 -0.300 20 0 DBADRM Cc1n[nH]c(CN(C)Cc2nnc3n2CCNC3=O)c1C(=O)[O-] ZINC001574111803 1026708058 /nfs/dbraw/zinc/70/80/58/1026708058.db2.gz ASPAOLIFALSANS-UHFFFAOYSA-N -1 0 319.325 -0.617 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001574117617 1026708596 /nfs/dbraw/zinc/70/85/96/1026708596.db2.gz CACVLTNFRVWXRA-OHTBPHCPSA-N -1 0 313.350 -0.012 20 0 DBADRM Cc1c(CC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)cnn1C ZINC001574119399 1026708694 /nfs/dbraw/zinc/70/86/94/1026708694.db2.gz BGYBXAHBBHKROA-KGLIPLIRSA-N -1 0 318.333 -0.031 20 0 DBADRM Cc1c(CC(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)cnn1C ZINC001574119408 1026709094 /nfs/dbraw/zinc/70/90/94/1026709094.db2.gz BGYBXAHBBHKROA-ZIAGYGMSSA-N -1 0 318.333 -0.031 20 0 DBADRM Cc1c(C(=O)N[C@H](C(=O)[O-])C2CC2)nnn1-c1cnn(C)c1 ZINC001574114498 1026709600 /nfs/dbraw/zinc/70/96/00/1026709600.db2.gz VHGLMBCOMHAJIO-NSHDSACASA-N -1 0 304.310 -0.098 20 0 DBADRM Cc1c(C(=O)[O-])n[nH]c1NC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001574120306 1026709647 /nfs/dbraw/zinc/70/96/47/1026709647.db2.gz FQJSZPVQGXFGRX-ZETCQYMHSA-N -1 0 318.355 -0.071 20 0 DBADRM COC[C@](C)(NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)C(=O)OC ZINC001574120709 1026709677 /nfs/dbraw/zinc/70/96/77/1026709677.db2.gz ZDIIUDKKYFNNOC-BHDSKKPTSA-N -1 0 317.338 -0.049 20 0 DBADRM Cc1cc(COCC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])no1 ZINC001574135915 1026710815 /nfs/dbraw/zinc/71/08/15/1026710815.db2.gz VRMPASYDVOFKDT-DTWKUNHWSA-N -1 0 313.310 -0.406 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2noc(C)n2)C1 ZINC001574133764 1026710968 /nfs/dbraw/zinc/71/09/68/1026710968.db2.gz KIHDYCBKLDUHJD-LLVKDONJSA-N -1 0 319.339 -0.369 20 0 DBADRM Cc1cc(NC(=O)CC2CS(=O)(=O)C2)n(CC(=O)[O-])n1 ZINC001574141433 1026713718 /nfs/dbraw/zinc/71/37/18/1026713718.db2.gz NYRYLFGAQXTRNK-UHFFFAOYSA-N -1 0 301.324 -0.351 20 0 DBADRM Cc1cc(CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)n(C)n1 ZINC001574136277 1026714407 /nfs/dbraw/zinc/71/44/07/1026714407.db2.gz ZIHMJHIXCMSBJP-ONGXEEELSA-N -1 0 311.342 -0.502 20 0 DBADRM COCC[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)C(N)=O ZINC001574150743 1026714788 /nfs/dbraw/zinc/71/47/88/1026714788.db2.gz XFOPJATTWPYJJE-LLVKDONJSA-N -1 0 310.306 -0.230 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H](NC(N)=O)C(C)C)CCO1 ZINC001574146571 1026715511 /nfs/dbraw/zinc/71/55/11/1026715511.db2.gz MSDMXVKFPZTBEZ-TVQRCGJNSA-N -1 0 317.342 -0.992 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H](NC(N)=O)C(C)C)CCO1 ZINC001574146573 1026716079 /nfs/dbraw/zinc/71/60/79/1026716079.db2.gz MSDMXVKFPZTBEZ-ZANVPECISA-N -1 0 317.342 -0.992 20 0 DBADRM Cc1cn2nnc(C(=O)N3CCN(C(=O)[O-])CC3)c2c(=O)[nH]1 ZINC001574172297 1026717407 /nfs/dbraw/zinc/71/74/07/1026717407.db2.gz BWXSLSWCDYNDQN-UHFFFAOYSA-N -1 0 306.282 -0.426 20 0 DBADRM Cc1ccnn1CC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001574173757 1026717465 /nfs/dbraw/zinc/71/74/65/1026717465.db2.gz ZCAOERBNHSNPAH-OLZOCXBDSA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2C[C@@H](O)C3(CC3)C2)c1C(=O)[O-] ZINC001574178231 1026718545 /nfs/dbraw/zinc/71/85/45/1026718545.db2.gz BGZMEFJXWIBNQO-SSDOTTSWSA-N -1 0 301.324 -0.438 20 0 DBADRM Cc1csc2nc(CC(=O)N(CC(N)=O)CC(=O)[O-])cn12 ZINC001574179045 1026718736 /nfs/dbraw/zinc/71/87/36/1026718736.db2.gz QYPUSLJMNATIPY-UHFFFAOYSA-N -1 0 310.335 -0.355 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H](CO)C2CCC2)c1C(=O)[O-] ZINC001574182604 1026719742 /nfs/dbraw/zinc/71/97/42/1026719742.db2.gz PWGHYDCPXKXXGR-MRVPVSSYSA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1nc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c(C(=O)NCCO)n1C ZINC001574187165 1026719899 /nfs/dbraw/zinc/71/98/99/1026719899.db2.gz BYNNCIIEQJDOSQ-HTQZYQBOSA-N -1 0 310.310 -0.890 20 0 DBADRM Cc1nc(NCCN(C)CCS(C)(=O)=O)cc(C(=O)[O-])n1 ZINC001574187691 1026720393 /nfs/dbraw/zinc/72/03/93/1026720393.db2.gz JLBZJHUOGLQNOK-UHFFFAOYSA-N -1 0 316.383 -0.128 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCC2(C)OCCO2)c1C(=O)[O-] ZINC001574183152 1026720848 /nfs/dbraw/zinc/72/08/48/1026720848.db2.gz YFNYUEZAYZAXNX-UHFFFAOYSA-N -1 0 319.339 -0.152 20 0 DBADRM Cc1cncn1CC(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccncc1 ZINC001574180899 1026720995 /nfs/dbraw/zinc/72/09/95/1026720995.db2.gz XLDWTYXXBRZQMB-QWHCGFSZSA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1nnc2ccc(C(=O)N[C@H]3CN(C(=O)[O-])C[C@@H]3CO)cn12 ZINC001574197427 1026721288 /nfs/dbraw/zinc/72/12/88/1026721288.db2.gz JBBGLUYZTXYDAO-MNOVXSKESA-N -1 0 319.321 -0.262 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H](C)c2nc(C(=O)[O-])n[nH]2)n1C ZINC001574191588 1026721325 /nfs/dbraw/zinc/72/13/25/1026721325.db2.gz LLPGBYDBNWNYSB-RXMQYKEDSA-N -1 0 314.327 -0.416 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])C1 ZINC001574197869 1026721640 /nfs/dbraw/zinc/72/16/40/1026721640.db2.gz GVPAQOVVOVOFPF-GXFFZTMASA-N -1 0 310.310 -0.827 20 0 DBADRM Cc1nc(CCC(=O)[O-])cc(N2CC(NS(C)(=O)=O)C2)n1 ZINC001574188096 1026721833 /nfs/dbraw/zinc/72/18/33/1026721833.db2.gz PLHOTILDWCFHLO-UHFFFAOYSA-N -1 0 314.367 -0.460 20 0 DBADRM Cc1ncc(C(=O)[O-])cc1C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001574194159 1026722627 /nfs/dbraw/zinc/72/26/27/1026722627.db2.gz YNWNQJQLQWGCQM-VXGBXAGGSA-N -1 0 319.317 -0.182 20 0 DBADRM Cc1nn(C)cc1CC(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001574197961 1026723095 /nfs/dbraw/zinc/72/30/95/1026723095.db2.gz IWHASRKUNDYOGP-UONOGXRCSA-N -1 0 318.333 -0.031 20 0 DBADRM Cc1nc(CCC(=O)[O-])cc(N2CCN(CC(N)=O)CC2)n1 ZINC001574188737 1026723184 /nfs/dbraw/zinc/72/31/84/1026723184.db2.gz VFQZKZXVXODLDO-UHFFFAOYSA-N -1 0 307.354 -0.590 20 0 DBADRM Cc1nnc(N2CCN(C(=O)[O-])CC2)n1C[C@@]1(O)CCOC1 ZINC001574200772 1026723834 /nfs/dbraw/zinc/72/38/34/1026723834.db2.gz PDEREGOHYLBAEA-ZDUSSCGKSA-N -1 0 311.342 -0.462 20 0 DBADRM Cc1nnc(N2CCN(C(=O)[O-])CC2)n1C[C@]1(O)CCOC1 ZINC001574200771 1026724137 /nfs/dbraw/zinc/72/41/37/1026724137.db2.gz PDEREGOHYLBAEA-CYBMUJFWSA-N -1 0 311.342 -0.462 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001574205004 1026724410 /nfs/dbraw/zinc/72/44/10/1026724410.db2.gz HWIPHFANSBYBKC-MRVPVSSYSA-N -1 0 318.307 -0.839 20 0 DBADRM Cc1nonc1C(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001574204432 1026725076 /nfs/dbraw/zinc/72/50/76/1026725076.db2.gz AOSZFHZNESJHNM-HXUWFJFHSA-N -1 0 301.324 -0.184 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)Nc1ccc(=O)n(CCO)c1 ZINC001574209046 1026725875 /nfs/dbraw/zinc/72/58/75/1026725875.db2.gz MHLMXAPRUJSVHR-UHFFFAOYSA-N -1 0 321.293 -0.084 20 0 DBADRM Cn1c(CNC(=O)[C@@H](O)CC(=O)[O-])cc(=O)n1-c1ccccc1 ZINC001574210101 1026726216 /nfs/dbraw/zinc/72/62/16/1026726216.db2.gz YBXIZCNHQWULLR-LBPRGKRZSA-N -1 0 319.317 -0.372 20 0 DBADRM Cn1c(=O)[nH]cc1C(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001574208343 1026726857 /nfs/dbraw/zinc/72/68/57/1026726857.db2.gz BONFOSVQJTUTRR-NXEZZACHSA-N -1 0 306.278 -0.563 20 0 DBADRM Cn1cc(Br)c(CNC(=O)[C@@H](O)CC(=O)[O-])n1 ZINC001574211415 1026726934 /nfs/dbraw/zinc/72/69/34/1026726934.db2.gz HVXRFSDCMXATBJ-ZETCQYMHSA-N -1 0 306.116 -0.366 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2CC3(C2)CCNC(=O)O3)n1 ZINC001574211113 1026727332 /nfs/dbraw/zinc/72/73/32/1026727332.db2.gz BLYCTJXUSVJFHN-UHFFFAOYSA-N -1 0 309.282 -0.166 20 0 DBADRM Cn1cc(C[C@H](CO)NC(=O)c2ccc(C(=O)[O-])cn2)cn1 ZINC001574212625 1026728039 /nfs/dbraw/zinc/72/80/39/1026728039.db2.gz PZMMLDUXBXXJQI-LLVKDONJSA-N -1 0 304.306 -0.153 20 0 DBADRM Cn1cc(NC(=O)N2CCO[C@@](C)(C(=O)[O-])C2)c(C(N)=O)n1 ZINC001574213278 1026728370 /nfs/dbraw/zinc/72/83/70/1026728370.db2.gz GDCJMSQWJOTVFN-GFCCVEGCSA-N -1 0 311.298 -0.774 20 0 DBADRM Cn1cc([C@@H](O)C(=O)NCc2nc(CC(=O)[O-])cs2)cn1 ZINC001574212745 1026728444 /nfs/dbraw/zinc/72/84/44/1026728444.db2.gz PZPFOCDNCKAYRN-LLVKDONJSA-N -1 0 310.335 -0.147 20 0 DBADRM Cn1cc([C@H](CO)NS(=O)(=O)C2(C(=O)[O-])CCC2)cn1 ZINC001574212761 1026728892 /nfs/dbraw/zinc/72/88/92/1026728892.db2.gz QHLLLOBOFUVGGK-VIFPVBQESA-N -1 0 303.340 -0.620 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)Nc3c[nH]c(C(=O)[O-])n3)C2)cn1 ZINC001574212786 1026729421 /nfs/dbraw/zinc/72/94/21/1026729421.db2.gz QWYWKEBPSPPGRC-MRVPVSSYSA-N -1 0 304.266 -0.027 20 0 DBADRM Cn1cnc2cncc(C(=O)N[C@H]3CN(C(=O)[O-])C[C@@H]3CO)c21 ZINC001574221737 1026730199 /nfs/dbraw/zinc/73/01/99/1026730199.db2.gz XRMHGVREIPXHEC-KCJUWKMLSA-N -1 0 319.321 -0.331 20 0 DBADRM Cn1cc(NC(=O)NCC2(S(N)(=O)=O)CC2)c(C(=O)[O-])c1 ZINC001574220819 1026730221 /nfs/dbraw/zinc/73/02/21/1026730221.db2.gz RLISMFQNQWKNQN-UHFFFAOYSA-N -1 0 316.339 -0.334 20 0 DBADRM Cn1cnnc1S(=O)(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001574220691 1026730254 /nfs/dbraw/zinc/73/02/54/1026730254.db2.gz FYIDWCPTKDMVTR-SNVBAGLBSA-N -1 0 310.335 -0.038 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@@H](O)C[C@@]2(C)CO)cc1C(=O)[O-] ZINC001574220274 1026730669 /nfs/dbraw/zinc/73/06/69/1026730669.db2.gz LYGPWKISEYVULB-UFBFGSQYSA-N -1 0 318.351 -0.770 20 0 DBADRM Cn1cc(S(=O)(=O)NCc2[nH]cnc2C(=O)[O-])nc1Cl ZINC001574224071 1026731489 /nfs/dbraw/zinc/73/14/89/1026731489.db2.gz BFOZTJVLZRPGQD-UHFFFAOYSA-N -1 0 319.730 -0.027 20 0 DBADRM Cn1cnn(CCC(=O)N2C3CCC(CC3)[C@H]2C(=O)[O-])c1=O ZINC001574220959 1026731721 /nfs/dbraw/zinc/73/17/21/1026731721.db2.gz JFURVRLQGJLGHQ-CBINBANVSA-N -1 0 308.338 -0.174 20 0 DBADRM Cn1nnnc1SCCC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001574227498 1026732528 /nfs/dbraw/zinc/73/25/28/1026732528.db2.gz QCOZQAHWUSEEJK-KHQFGBGNSA-N -1 0 311.367 -0.129 20 0 DBADRM Cn1nc(C(=O)N(CC(N)=O)CC(=O)[O-])cc1C(F)(F)F ZINC001574226724 1026732542 /nfs/dbraw/zinc/73/25/42/1026732542.db2.gz QUIZXRHZYLWRGH-UHFFFAOYSA-N -1 0 308.216 -0.549 20 0 DBADRM Cn1ncc(CCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccncc2)n1 ZINC001574226475 1026732792 /nfs/dbraw/zinc/73/27/92/1026732792.db2.gz HMZRVIDFSKAKKF-OLZOCXBDSA-N -1 0 319.321 -0.554 20 0 DBADRM Cn1nccc1[C@H](O)CNC(=O)CC1(C(=O)[O-])CCOCC1 ZINC001574228261 1026732871 /nfs/dbraw/zinc/73/28/71/1026732871.db2.gz IJCWAYUAPYTFCB-LLVKDONJSA-N -1 0 311.338 -0.159 20 0 DBADRM Cn1[nH]c(CN2CCC(n3cc(C(=O)[O-])cn3)CC2)nc1=O ZINC001574226620 1026733090 /nfs/dbraw/zinc/73/30/90/1026733090.db2.gz MMQGUIRWQAFESQ-UHFFFAOYSA-N -1 0 306.326 -0.160 20 0 DBADRM Cn1ncc(CCC(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)n1 ZINC001574226749 1026733246 /nfs/dbraw/zinc/73/32/46/1026733246.db2.gz RNAYCTZUFLJQAC-QWHCGFSZSA-N -1 0 319.321 -0.554 20 0 DBADRM C[S@@](=N)(=O)N1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001574242435 1026734564 /nfs/dbraw/zinc/73/45/64/1026734564.db2.gz KTHLCYNFJGYNCT-NRFANRHFSA-N -1 0 319.383 -0.396 20 0 DBADRM COc1cncc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001574238565 1026735210 /nfs/dbraw/zinc/73/52/10/1026735210.db2.gz VZCMNLHWYVPIPD-VIFPVBQESA-N -1 0 322.321 -0.319 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001574243222 1026735949 /nfs/dbraw/zinc/73/59/49/1026735949.db2.gz SSSAMFBFZLNALD-MRTMQBJTSA-N -1 0 318.351 -0.312 20 0 DBADRM NC(=O)[C@H]1CN(Cc2cnc3c(C(=O)[O-])cnn3c2)CCO1 ZINC001574248453 1026736787 /nfs/dbraw/zinc/73/67/87/1026736787.db2.gz JQHSVHJYJDKKCS-SNVBAGLBSA-N -1 0 305.294 -0.886 20 0 DBADRM NC(=O)[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccccn1 ZINC001574248468 1026737278 /nfs/dbraw/zinc/73/72/78/1026737278.db2.gz KBCOSHPCRIBCQA-MFKMUULPSA-N -1 0 320.349 -0.479 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)N2CCC[C@H](NC(=O)[O-])C2)C1 ZINC001574248875 1026737468 /nfs/dbraw/zinc/73/74/68/1026737468.db2.gz MWCQPJZGQJPSBR-JGVFFNPUSA-N -1 0 313.314 -0.942 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)c1cccc2nc[nH]c(=O)c21 ZINC001574254932 1026739577 /nfs/dbraw/zinc/73/95/77/1026739577.db2.gz MEOFGULLEOGKFN-UHFFFAOYSA-N -1 0 304.262 -0.653 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)Cc1cccc2nsnc21 ZINC001574255214 1026739825 /nfs/dbraw/zinc/73/98/25/1026739825.db2.gz TWTASVVSRYYYJK-UHFFFAOYSA-N -1 0 308.319 -0.368 20 0 DBADRM NC(=O)CN(C(=O)[C@H]1CCCN(C(=O)[O-])C1)C1CCOCC1 ZINC001574254764 1026740084 /nfs/dbraw/zinc/74/00/84/1026740084.db2.gz HEKMTPKLKRAKDT-JTQLQIEISA-N -1 0 313.354 -0.131 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NCc2nc(CC(=O)[O-])cs2)O1 ZINC001574256570 1026743215 /nfs/dbraw/zinc/74/32/15/1026743215.db2.gz GCVQZBLZEVFWFU-JGVFFNPUSA-N -1 0 313.335 -0.581 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001574282045 1026746742 /nfs/dbraw/zinc/74/67/42/1026746742.db2.gz NFMAASZQVLCQMR-CLAHSXSESA-N -1 0 319.321 -0.803 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1 ZINC001574280698 1026746760 /nfs/dbraw/zinc/74/67/60/1026746760.db2.gz PFWNITKUOSPTGW-AEJSXWLSSA-N -1 0 319.383 -0.729 20 0 DBADRM NS(=O)(=O)CCCC(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC001574280374 1026746861 /nfs/dbraw/zinc/74/68/61/1026746861.db2.gz MDHCECXMHWVLOX-NSHDSACASA-N -1 0 308.356 -0.947 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001574280406 1026747215 /nfs/dbraw/zinc/74/72/15/1026747215.db2.gz NQFWEWGIHLKLLV-KXUCPTDWSA-N -1 0 304.368 -0.376 20 0 DBADRM NS(=O)(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001574280377 1026747522 /nfs/dbraw/zinc/74/75/22/1026747522.db2.gz MJHXBQQCOKCERI-KXUCPTDWSA-N -1 0 319.383 -0.729 20 0 DBADRM NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001574280378 1026747896 /nfs/dbraw/zinc/74/78/96/1026747896.db2.gz MJHXBQQCOKCERI-LPEHRKFASA-N -1 0 319.383 -0.729 20 0 DBADRM NS(=O)(=O)C1CN(C[C@]2(O)CCCC[C@H]2CC(=O)[O-])C1 ZINC001574279453 1026747953 /nfs/dbraw/zinc/74/79/53/1026747953.db2.gz CPUCWGSAXAQFQQ-JOYOIKCWSA-N -1 0 306.384 -0.645 20 0 DBADRM NS(=O)(=O)C[C@H]1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001574280392 1026748462 /nfs/dbraw/zinc/74/84/62/1026748462.db2.gz MWMXNJNNKWEHPQ-JGVFFNPUSA-N -1 0 300.340 -0.534 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)[C@H]2CCCN(C(=O)[O-])C2)CCC1 ZINC001574280690 1026748569 /nfs/dbraw/zinc/74/85/69/1026748569.db2.gz PBSXOHPSSLMLJH-VIFPVBQESA-N -1 0 319.383 -0.296 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@@H](C(=O)[O-])C3(COC3)C2)o1 ZINC001574279737 1026748633 /nfs/dbraw/zinc/74/86/33/1026748633.db2.gz GWBNRFOITJMFRH-VIFPVBQESA-N -1 0 316.335 -0.540 20 0 DBADRM NS(=O)(=O)CCNC(=O)c1ncc(C(=O)[O-])cc1Cl ZINC001574281072 1026748773 /nfs/dbraw/zinc/74/87/73/1026748773.db2.gz UYKOZLRFSQQAGI-UHFFFAOYSA-N -1 0 307.715 -0.549 20 0 DBADRM Nc1nnc(C2CCN(S(=O)(=O)CCC(=O)[O-])CC2)o1 ZINC001574292122 1026749479 /nfs/dbraw/zinc/74/94/79/1026749479.db2.gz UYILUFWWGCDHHN-UHFFFAOYSA-N -1 0 304.328 -0.364 20 0 DBADRM Nc1nnc(CC(=O)N[C@H](C(=O)[O-])C2CCOCC2)s1 ZINC001574291270 1026749493 /nfs/dbraw/zinc/74/94/93/1026749493.db2.gz FEBRZQKDWHUPOS-VIFPVBQESA-N -1 0 300.340 -0.341 20 0 DBADRM CC(C)NC(=O)[C@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001574290056 1026750087 /nfs/dbraw/zinc/75/00/87/1026750087.db2.gz FXIUJFDCPQLYMG-YUMQZZPRSA-N -1 0 321.345 -0.952 20 0 DBADRM CC(C)NC(=O)[C@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001574290054 1026750580 /nfs/dbraw/zinc/75/05/80/1026750580.db2.gz FXIUJFDCPQLYMG-JGVFFNPUSA-N -1 0 321.345 -0.952 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCSc1ncnc2[nH]cnc21 ZINC001574299691 1026752861 /nfs/dbraw/zinc/75/28/61/1026752861.db2.gz PTNGKAOSHOLZAZ-LURJTMIESA-N -1 0 311.323 -0.603 20 0 DBADRM CC(C)OC(=O)C(C)(C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001574296456 1026753121 /nfs/dbraw/zinc/75/31/21/1026753121.db2.gz FETNQTHZJVRRCR-UHFFFAOYSA-N -1 0 322.329 -0.695 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCn1ccnn1)[C@@H](O)c1cccnc1 ZINC001574299900 1026753318 /nfs/dbraw/zinc/75/33/18/1026753318.db2.gz VYAJITYBUPKYPV-RYUDHWBXSA-N -1 0 305.294 -0.634 20 0 DBADRM O=C([O-])c1nc[nH]c1CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001574302380 1026754821 /nfs/dbraw/zinc/75/48/21/1026754821.db2.gz VWEVKMLBPPVMON-UHFFFAOYSA-N -1 0 320.309 -0.881 20 0 DBADRM O=C([O-])[C@H](NC(=O)Cn1ccccc1=O)[C@@H](O)c1ccncc1 ZINC001574302633 1026755020 /nfs/dbraw/zinc/75/50/20/1026755020.db2.gz YZERDPMYGIZIIJ-KGLIPLIRSA-N -1 0 317.301 -0.454 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NC2CCC3(CC2)OCCO3)n1 ZINC001574301643 1026755257 /nfs/dbraw/zinc/75/52/57/1026755257.db2.gz DZPQXZMGWBAELU-UHFFFAOYSA-N -1 0 310.310 -0.222 20 0 DBADRM O=C([O-])[C@@H](NC(=O)Cn1ccccc1=O)[C@@H](O)c1ccncc1 ZINC001574302631 1026755805 /nfs/dbraw/zinc/75/58/05/1026755805.db2.gz YZERDPMYGIZIIJ-KBPBESRZSA-N -1 0 317.301 -0.454 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)Cc1ccccc1O[C@@H]1CCOC1 ZINC001574302875 1026756028 /nfs/dbraw/zinc/75/60/28/1026756028.db2.gz RNKGHASZSMIZHP-NEPJUHHUSA-N -1 0 309.318 -0.042 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)Cc2cnn3c2CCCC3)n1 ZINC001574302531 1026756094 /nfs/dbraw/zinc/75/60/94/1026756094.db2.gz KLLLNFQAYVBSJB-UHFFFAOYSA-N -1 0 304.310 -0.105 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CO[C@@H]1CCOC1)[C@@H](O)c1ccncc1 ZINC001574300347 1026756120 /nfs/dbraw/zinc/75/61/20/1026756120.db2.gz IUQCOVOTVBXPMU-WXHSDQCUSA-N -1 0 310.306 -0.510 20 0 DBADRM O=C([O-])N1CCC[C@H](C(=O)N[C@@H](CO)CC2OCCO2)C1 ZINC001574309894 1026756700 /nfs/dbraw/zinc/75/67/00/1026756700.db2.gz HCVFOYZXNZMBTD-VHSXEESVSA-N -1 0 302.327 -0.384 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001574311140 1026756777 /nfs/dbraw/zinc/75/67/77/1026756777.db2.gz CMULPQVUZPZHNU-OIBJUYFYSA-N -1 0 320.305 -0.031 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1cc(=O)[nH]cn1)[C@@H](O)c1ccncc1 ZINC001574307808 1026756807 /nfs/dbraw/zinc/75/68/07/1026756807.db2.gz BZPZIOSPPXHYGJ-MNOVXSKESA-N -1 0 304.262 -0.506 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cnncc1O)[C@@H](O)c1cccnc1 ZINC001574309712 1026757128 /nfs/dbraw/zinc/75/71/28/1026757128.db2.gz ZJIAIFSYUZLZTP-QWRGUYRKSA-N -1 0 304.262 -0.506 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccncc1NC(=O)C(F)(F)F ZINC001574308652 1026757311 /nfs/dbraw/zinc/75/73/11/1026757311.db2.gz NKNPCDGITRSGKU-ZETCQYMHSA-N -1 0 321.211 -0.242 20 0 DBADRM Cc1nn(CCS(=O)(=O)N(C)C[C@@H](C)C(=O)[O-])c(=O)o1 ZINC001574434430 1026787254 /nfs/dbraw/zinc/78/72/54/1026787254.db2.gz LTZLLLCNBXXTRL-SSDOTTSWSA-N -1 0 307.328 -0.873 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001574311125 1026757488 /nfs/dbraw/zinc/75/74/88/1026757488.db2.gz BLQYSQUYCVDUAD-DTWKUNHWSA-N -1 0 310.310 -0.886 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1ccn2nnnc2c1 ZINC001574308108 1026757630 /nfs/dbraw/zinc/75/76/30/1026757630.db2.gz FYUPEHCGTJGHGY-UWVGGRQHSA-N -1 0 305.294 -0.124 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1cccn2nnnc12)[C@H]1CCCOC1 ZINC001574309108 1026757731 /nfs/dbraw/zinc/75/77/31/1026757731.db2.gz SOORCHQTDXCDIM-WCBMZHEXSA-N -1 0 305.294 -0.266 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1cccn2nnnc12)[C@@H]1CCCOC1 ZINC001574309106 1026757933 /nfs/dbraw/zinc/75/79/33/1026757933.db2.gz SOORCHQTDXCDIM-PSASIEDQSA-N -1 0 305.294 -0.266 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2ccc3nonc3c2)C1 ZINC001574311350 1026758951 /nfs/dbraw/zinc/75/89/51/1026758951.db2.gz HNQPICYGDLTUOO-LDYMZIIASA-N -1 0 306.278 -0.077 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2cccc3ncnn32)C1 ZINC001574311371 1026759037 /nfs/dbraw/zinc/75/90/37/1026759037.db2.gz HYBUNDJVROZTGT-RKDXNWHRSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2cc3n(n2)CCCO3)C1 ZINC001574312207 1026759524 /nfs/dbraw/zinc/75/95/24/1026759524.db2.gz XOJGKMQUFSRQES-WPRPVWTQSA-N -1 0 310.310 -0.634 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)[C@@H](CO)C1 ZINC001574311269 1026759580 /nfs/dbraw/zinc/75/95/80/1026759580.db2.gz FZHDKZPSNQTXNZ-SKDRFNHKSA-N -1 0 321.333 -0.024 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2cc3ncccn3n2)[C@@H](CO)C1 ZINC001574311739 1026759950 /nfs/dbraw/zinc/75/99/50/1026759950.db2.gz OYDNOZRACCZVKT-SCZZXKLOSA-N -1 0 305.294 -0.570 20 0 DBADRM CC(C)OCC(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001574316956 1026760739 /nfs/dbraw/zinc/76/07/39/1026760739.db2.gz NAKUOWFASUKMSW-UHFFFAOYSA-N -1 0 320.357 -0.366 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)NCCc2ccns2)C1 ZINC001574323908 1026761095 /nfs/dbraw/zinc/76/10/95/1026761095.db2.gz QZZPACHYJKYKQU-WPRPVWTQSA-N -1 0 314.367 -0.045 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)NCCc2cscn2)C1 ZINC001574323614 1026761107 /nfs/dbraw/zinc/76/11/07/1026761107.db2.gz JKRTWROIMTVMJG-PSASIEDQSA-N -1 0 314.367 -0.045 20 0 DBADRM O=C([O-])C1(CNC(=O)c2cn(C(F)(F)CO)nn2)CCC1 ZINC001574321691 1026761836 /nfs/dbraw/zinc/76/18/36/1026761836.db2.gz DLTQXRGLVJRGOE-UHFFFAOYSA-N -1 0 304.253 -0.196 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)NCC[C@@]2(O)CCOC2)CCCOC1 ZINC001574319429 1026761995 /nfs/dbraw/zinc/76/19/95/1026761995.db2.gz KONDOLXMQLLFSY-UONOGXRCSA-N -1 0 316.354 -0.292 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)NCC[C@H]2CCCO2)[C@@H](CO)C1 ZINC001574323974 1026763081 /nfs/dbraw/zinc/76/30/81/1026763081.db2.gz XPPYJAGSGAZOAX-MXWKQRLJSA-N -1 0 301.343 -0.175 20 0 DBADRM O=C([O-])[C@H](F)[C@@H]1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)C1 ZINC001574344969 1026763976 /nfs/dbraw/zinc/76/39/76/1026763976.db2.gz IQDUABOAYMCEEZ-DVVUODLYSA-N -1 0 315.301 -0.879 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001574333715 1026763991 /nfs/dbraw/zinc/76/39/91/1026763991.db2.gz ILCODFJRMMJEHW-JGVFFNPUSA-N -1 0 305.294 -0.465 20 0 DBADRM O=C([O-])N1CCC[C@H](C(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001574334442 1026764637 /nfs/dbraw/zinc/76/46/37/1026764637.db2.gz QDHFJXCZYTUIEM-QMMMGPOBSA-N -1 0 320.309 -0.576 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001574355400 1026766357 /nfs/dbraw/zinc/76/63/57/1026766357.db2.gz BKNXARCMNAMDQF-YTWAJWBKSA-N -1 0 320.367 -0.826 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)Cc1ccno1)[C@H]1CCCOC1 ZINC001574354172 1026766540 /nfs/dbraw/zinc/76/65/40/1026766540.db2.gz YWOTUUJYWBKQBC-WPRPVWTQSA-N -1 0 304.324 -0.026 20 0 DBADRM O=C([O-])[C@@H](F)C1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001574347447 1026767449 /nfs/dbraw/zinc/76/74/49/1026767449.db2.gz YGTIDQHBKUJGEZ-VIFPVBQESA-N -1 0 305.327 -0.308 20 0 DBADRM O=C([O-])C[C@@H](CO)NC(=O)CNC(=O)OCc1ccccc1 ZINC001574356365 1026767931 /nfs/dbraw/zinc/76/79/31/1026767931.db2.gz FFOSZTKMSRSVBD-NSHDSACASA-N -1 0 310.306 -0.135 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001574356061 1026768031 /nfs/dbraw/zinc/76/80/31/1026768031.db2.gz ATYXMPVSINOZOF-DSYKOEDSSA-N -1 0 312.244 -0.747 20 0 DBADRM O=C([O-])C[C@H](NC(=O)NCc1nc(CO)n[nH]1)C(F)(F)F ZINC001574358926 1026768083 /nfs/dbraw/zinc/76/80/83/1026768083.db2.gz ZJCURMJONONCPG-BYPYZUCNSA-N -1 0 311.220 -0.498 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)CC1 ZINC001574355939 1026768158 /nfs/dbraw/zinc/76/81/58/1026768158.db2.gz SZCOOIZZDWCROB-UWVGGRQHSA-N -1 0 318.351 -0.867 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N[C@@H](CO)c1cccnc1 ZINC001574356073 1026768759 /nfs/dbraw/zinc/76/87/59/1026768759.db2.gz XPWGNWFXGNMPHF-WDEREUQCSA-N -1 0 315.351 -0.502 20 0 DBADRM O=C([O-])[C@H]1CSCCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001574356167 1026768943 /nfs/dbraw/zinc/76/89/43/1026768943.db2.gz BVJXAGCHHTUHMA-SECBINFHSA-N -1 0 320.334 -0.096 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC001574363031 1026770194 /nfs/dbraw/zinc/77/01/94/1026770194.db2.gz NNVAAALFJTWYIO-NWDGAFQWSA-N -1 0 321.333 -0.476 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001574363367 1026770735 /nfs/dbraw/zinc/77/07/35/1026770735.db2.gz PFUGPXQXBIHVEI-SCZZXKLOSA-N -1 0 313.331 -0.491 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC001574364071 1026771041 /nfs/dbraw/zinc/77/10/41/1026771041.db2.gz VQYWIJSCYHTIAX-IJLUTSLNSA-N -1 0 312.366 -0.418 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC001574360713 1026771313 /nfs/dbraw/zinc/77/13/13/1026771313.db2.gz APCHSQDSOKQZSD-NSHDSACASA-N -1 0 307.306 -0.798 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)NCCn1cc(-c2ccccc2)nn1 ZINC001574363375 1026771775 /nfs/dbraw/zinc/77/17/75/1026771775.db2.gz PIVHQCDGADJMOG-LBPRGKRZSA-N -1 0 304.306 -0.103 20 0 DBADRM O=C([O-])Cc1nnc(NC(=O)NCCN2CCNC2=O)s1 ZINC001574374914 1026772634 /nfs/dbraw/zinc/77/26/34/1026772634.db2.gz AJIKVLVDNPFSOB-UHFFFAOYSA-N -1 0 314.327 -0.688 20 0 DBADRM O=C([O-])CC1(S(=O)(=O)N2CCCS(=O)(=O)CC2)CC1 ZINC001574365235 1026772734 /nfs/dbraw/zinc/77/27/34/1026772734.db2.gz RPRVYQIPYLMMKS-UHFFFAOYSA-N -1 0 311.381 -0.556 20 0 DBADRM O=C([O-])C[N@@H+]1CCCN(C(=O)c2ccnc3[n-]nnc32)CC1 ZINC001574371338 1026772844 /nfs/dbraw/zinc/77/28/44/1026772844.db2.gz GJZCAZAQMFONCA-UHFFFAOYSA-N -1 0 304.310 -0.415 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1COCCN1C[C@@H]1CCCC[C@H]1O ZINC001574372391 1026773644 /nfs/dbraw/zinc/77/36/44/1026773644.db2.gz PMIYCFTZSDYULN-SDDRHHMPSA-N -1 0 300.355 -0.561 20 0 DBADRM O=C([O-])CC1(S(=O)(=O)N2CC[C@]3(CCOC3=O)C2)CC1 ZINC001574365564 1026773842 /nfs/dbraw/zinc/77/38/42/1026773842.db2.gz ZVJVCKXEEVZLIE-NSHDSACASA-N -1 0 303.336 -0.038 20 0 DBADRM O=C([O-])CC1(NC(=O)CC2C(=O)N=CNC2=O)CCOCC1 ZINC001574365570 1026774173 /nfs/dbraw/zinc/77/41/73/1026774173.db2.gz ZYLQIXNPEPTKFC-UHFFFAOYSA-N -1 0 311.294 -0.430 20 0 DBADRM O=C([O-])CC1(NC(=O)c2cccc3c2NC(=O)CO3)COC1 ZINC001574365339 1026774201 /nfs/dbraw/zinc/77/42/01/1026774201.db2.gz VIKXNHXQFFBHCY-UHFFFAOYSA-N -1 0 306.274 -0.009 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NS(=O)(=O)C[C@H]2CCCO2)C1 ZINC001574376619 1026774826 /nfs/dbraw/zinc/77/48/26/1026774826.db2.gz HAHOQNOOXMYJRT-OPRDCNLKSA-N -1 0 308.356 -0.945 20 0 DBADRM O=C([O-])N1CCC(S(=O)(=O)NCCn2cnnc2)CC1 ZINC001574376944 1026774975 /nfs/dbraw/zinc/77/49/75/1026774975.db2.gz KRCKMVCZHRMYDL-UHFFFAOYSA-N -1 0 303.344 -0.660 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)N2CCS(=O)(=O)CCO2)C1 ZINC001574377673 1026775098 /nfs/dbraw/zinc/77/50/98/1026775098.db2.gz XNXIWIVSXZYBNU-QMMMGPOBSA-N -1 0 307.328 -0.890 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C2CC3(C2)CS(=O)(=O)C3)n1 ZINC001574375570 1026775335 /nfs/dbraw/zinc/77/53/35/1026775335.db2.gz RBXGJYYFKQZFIW-UHFFFAOYSA-N -1 0 313.335 -0.269 20 0 DBADRM O=C([O-])N1CCN(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)CC1 ZINC001574377145 1026775438 /nfs/dbraw/zinc/77/54/38/1026775438.db2.gz NFDGKGYIDUAEPV-NXEZZACHSA-N -1 0 307.372 -0.580 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NS(=O)(=O)C[C@@H]2CCCO2)C1 ZINC001574376618 1026775510 /nfs/dbraw/zinc/77/55/10/1026775510.db2.gz HAHOQNOOXMYJRT-KXUCPTDWSA-N -1 0 308.356 -0.945 20 0 DBADRM O=C([O-])Cc1nnc(NC(=O)N2CC[C@H](O)[C@H](CO)C2)s1 ZINC001574375151 1026775558 /nfs/dbraw/zinc/77/55/58/1026775558.db2.gz HEDQJWNGFRXDEV-BQBZGAKWSA-N -1 0 316.339 -0.628 20 0 DBADRM O=C([O-])N1CCN(S(=O)(=O)NCCc2cnoc2)CC1 ZINC001574376606 1026775630 /nfs/dbraw/zinc/77/56/30/1026775630.db2.gz GLTHFVFMNHFANE-UHFFFAOYSA-N -1 0 304.328 -0.653 20 0 DBADRM O=C([O-])Cn1cccc(NC(=O)N2CC[C@@H](O)[C@@H](F)C2)c1=O ZINC001574375325 1026775674 /nfs/dbraw/zinc/77/56/74/1026775674.db2.gz KYCSUTXDOKTSKY-WCBMZHEXSA-N -1 0 313.285 -0.131 20 0 DBADRM O=C([O-])N1CCC(S(=O)(=O)N[C@@H]2COCC[C@H]2O)CC1 ZINC001574377471 1026775835 /nfs/dbraw/zinc/77/58/35/1026775835.db2.gz SPIVNBONDHRNKI-NXEZZACHSA-N -1 0 308.356 -0.802 20 0 DBADRM O=C([O-])Cn1cccc(NC(=O)N[C@H](CO)c2ncc[nH]2)c1=O ZINC001574375146 1026776265 /nfs/dbraw/zinc/77/62/65/1026776265.db2.gz GZXLUJUSFNRJLD-SECBINFHSA-N -1 0 321.293 -0.489 20 0 DBADRM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001574398624 1026777039 /nfs/dbraw/zinc/77/70/39/1026777039.db2.gz GTVAPDDLOTXJJQ-CWSCBRNRSA-N -1 0 320.349 -0.155 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)N[C@@H]3CCc4nnnn4CC3)C[C@@H]21 ZINC001574403104 1026777463 /nfs/dbraw/zinc/77/74/63/1026777463.db2.gz HNPGRVGMOUINIM-MWGHHZFTSA-N -1 0 320.353 -0.260 20 0 DBADRM CC(C)[C@@H](O)C(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001574391938 1026779037 /nfs/dbraw/zinc/77/90/37/1026779037.db2.gz FZRDOCXMCNCDBO-SNVBAGLBSA-N -1 0 320.357 -0.774 20 0 DBADRM O=C([O-])c1cc(CS(=O)(=O)N[C@H](CO)[C@@H]2CCOC2)on1 ZINC001574409368 1026779625 /nfs/dbraw/zinc/77/96/25/1026779625.db2.gz YJWFHFDHCXWDCK-GMSGAONNSA-N -1 0 320.323 -0.810 20 0 DBADRM Cc1ccnc(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001574407048 1026780242 /nfs/dbraw/zinc/78/02/42/1026780242.db2.gz CBVXEDFGIZUQTK-JTQLQIEISA-N -1 0 306.322 -0.276 20 0 DBADRM O=C([O-])c1cc(CN2CCS(=O)(=O)C[C@H]2CCO)on1 ZINC001574409410 1026780597 /nfs/dbraw/zinc/78/05/97/1026780597.db2.gz ZLMWVJLYDGVUKU-MRVPVSSYSA-N -1 0 304.324 -0.646 20 0 DBADRM O=C([O-])c1cc(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)on1 ZINC001574408826 1026780690 /nfs/dbraw/zinc/78/06/90/1026780690.db2.gz PAHJIAKFLIHNBU-ZETCQYMHSA-N -1 0 319.277 -0.235 20 0 DBADRM O=C([O-])c1csc(CN2CCN3CCOC[C@@]3(CO)C2)n1 ZINC001574423030 1026782454 /nfs/dbraw/zinc/78/24/54/1026782454.db2.gz QFKPAJOQWSUVHW-ZDUSSCGKSA-N -1 0 313.379 -0.280 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)[C@@H]2CCc3nncn3CC2)n1 ZINC001574422645 1026782530 /nfs/dbraw/zinc/78/25/30/1026782530.db2.gz JIFOUYXTBTXCHE-SSDOTTSWSA-N -1 0 305.298 -0.637 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCc2ncncc2C1 ZINC001574417301 1026783111 /nfs/dbraw/zinc/78/31/11/1026783111.db2.gz JOWSQFUSTDNQTE-UHFFFAOYSA-N -1 0 309.307 -0.355 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N[C@@H]1CCNC(=O)CC1 ZINC001574430467 1026785205 /nfs/dbraw/zinc/78/52/05/1026785205.db2.gz GXPOVEDKHCDGOH-DTWKUNHWSA-N -1 0 305.356 -0.962 20 0 DBADRM O=C([O-])N1CCC(S(=O)(=O)NCC[C@H]2CNC(=O)C2)CC1 ZINC001574430455 1026785284 /nfs/dbraw/zinc/78/52/84/1026785284.db2.gz GMUOYEYVKDDGOC-SECBINFHSA-N -1 0 319.383 -0.426 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@H]1CCCN1C(=O)C[C@@H]1CCC(=O)N1 ZINC001574430735 1026785508 /nfs/dbraw/zinc/78/55/08/1026785508.db2.gz MKZBBNADFNCSRD-JGVFFNPUSA-N -1 0 307.310 -0.165 20 0 DBADRM Cc1ncc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(C)n1 ZINC001574426846 1026786333 /nfs/dbraw/zinc/78/63/33/1026786333.db2.gz OSRZIMADYPBRHG-SNVBAGLBSA-N -1 0 313.335 -0.583 20 0 DBADRM Cc1nn(CCS(=O)(=O)N(C)C[C@H](C)C(=O)[O-])c(=O)o1 ZINC001574434431 1026787785 /nfs/dbraw/zinc/78/77/85/1026787785.db2.gz LTZLLLCNBXXTRL-ZETCQYMHSA-N -1 0 307.328 -0.873 20 0 DBADRM Cn1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])n(C)c1=O ZINC001574449201 1026790624 /nfs/dbraw/zinc/79/06/24/1026790624.db2.gz LCUBBUXOSGVMRY-NSHDSACASA-N -1 0 319.317 -0.145 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])C2=O)cn1 ZINC001574457532 1026791213 /nfs/dbraw/zinc/79/12/13/1026791213.db2.gz FECNLKWJYDXPKB-GMTAPVOTSA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1cc(/C=C/C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cn1 ZINC001574458219 1026791270 /nfs/dbraw/zinc/79/12/70/1026791270.db2.gz NTCDMNNXIVQTHH-PBKGFPTLSA-N -1 0 313.335 -0.857 20 0 DBADRM Cn1cncc1[C@H](CO)NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001574462951 1026791341 /nfs/dbraw/zinc/79/13/41/1026791341.db2.gz UEWRRHKNSWMAPO-AXFHLTTASA-N -1 0 311.338 -0.160 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC001574462582 1026791485 /nfs/dbraw/zinc/79/14/85/1026791485.db2.gz UTZDAFIPSMUXCX-UHFFFAOYSA-N -1 0 319.325 -0.806 20 0 DBADRM Cn1ccn2c(CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)nnc2c1=O ZINC001574456788 1026791590 /nfs/dbraw/zinc/79/15/90/1026791590.db2.gz SNVHZEDOKGRVMG-VIFPVBQESA-N -1 0 321.337 -0.209 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC(OCC(N)=O)CC1 ZINC001574462752 1026791634 /nfs/dbraw/zinc/79/16/34/1026791634.db2.gz YGFAVJSNUVLLRU-UHFFFAOYSA-N -1 0 310.310 -0.775 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCNC(=O)c1ccco1 ZINC001574465334 1026791790 /nfs/dbraw/zinc/79/17/90/1026791790.db2.gz HMIPCUMESPZFPR-UHFFFAOYSA-N -1 0 306.278 -0.129 20 0 DBADRM Cn1cncc1[C@H](CO)NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001574462954 1026791908 /nfs/dbraw/zinc/79/19/08/1026791908.db2.gz UEWRRHKNSWMAPO-VWYCJHECSA-N -1 0 311.338 -0.160 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@@]1(OCCO)CCOC1 ZINC001574464868 1026791951 /nfs/dbraw/zinc/79/19/51/1026791951.db2.gz DLTBPZKLTGAIQR-ZDUSSCGKSA-N -1 0 313.310 -0.984 20 0 DBADRM Nc1cc(F)c(F)cc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001574507713 1026792397 /nfs/dbraw/zinc/79/23/97/1026792397.db2.gz WGKXLZSMUGBSSV-UHFFFAOYSA-N -1 0 313.260 -0.084 20 0 DBADRM CCN(CC(N)=O)C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001574499956 1026792580 /nfs/dbraw/zinc/79/25/80/1026792580.db2.gz PZBKXOFWXYVZNP-QMMMGPOBSA-N -1 0 317.342 -0.312 20 0 DBADRM NC(=O)c1cccc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001574502598 1026793624 /nfs/dbraw/zinc/79/36/24/1026793624.db2.gz CYZBHRKVSIVKIK-QMMMGPOBSA-N -1 0 320.305 -0.558 20 0 DBADRM NC(=O)Cn1ccc(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)n1 ZINC001574500595 1026793654 /nfs/dbraw/zinc/79/36/54/1026793654.db2.gz OJTKOKBFEVMQSN-RKDXNWHRSA-N -1 0 310.310 -0.423 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCCc1nnc2c(=O)[nH]ccn12 ZINC001574574022 1026795793 /nfs/dbraw/zinc/79/57/93/1026795793.db2.gz UAHXHSPLECUOML-JGVFFNPUSA-N -1 0 305.294 -0.813 20 0 DBADRM O=C([O-])C1(C(=O)NCCNC(=O)c2cccnc2)CCOCC1 ZINC001574570743 1026795926 /nfs/dbraw/zinc/79/59/26/1026795926.db2.gz GKTHOTBXNKIDRR-UHFFFAOYSA-N -1 0 321.333 -0.191 20 0 DBADRM O=C([O-])C1(NC(=O)c2cn(C(F)(F)CO)nn2)CCOCC1 ZINC001574552801 1026796101 /nfs/dbraw/zinc/79/61/01/1026796101.db2.gz VJNARQMEGMSPJP-UHFFFAOYSA-N -1 0 320.252 -0.817 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCn2ccc(=O)[nH]c2=O)C1 ZINC001574571200 1026796185 /nfs/dbraw/zinc/79/61/85/1026796185.db2.gz ZHAKMQLWOLMGEW-VHSXEESVSA-N -1 0 309.322 -0.044 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CNC(=O)c1ccncc1)C2 ZINC001574560416 1026796249 /nfs/dbraw/zinc/79/62/49/1026796249.db2.gz YFGAXKXJXBFYOA-NHYWBVRUSA-N -1 0 319.317 -0.629 20 0 DBADRM O=C([O-])C1(C(=O)NCC(F)(F)CO)CCS(=O)(=O)CC1 ZINC001574625709 1026797560 /nfs/dbraw/zinc/79/75/60/1026797560.db2.gz AFXHGXYTPWCCNB-UHFFFAOYSA-N -1 0 315.294 -0.990 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)C1 ZINC001574589233 1026798457 /nfs/dbraw/zinc/79/84/57/1026798457.db2.gz YKNZDPWEBSKNRB-NOOOWODRSA-N -1 0 320.349 -0.214 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC[C@H](O)C(=O)[O-])c1ccccc1 ZINC001574583539 1026798723 /nfs/dbraw/zinc/79/87/23/1026798723.db2.gz BPEJLAONCVSPPV-QWRGUYRKSA-N -1 0 303.336 -0.261 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)C1 ZINC001574644390 1026799194 /nfs/dbraw/zinc/79/91/94/1026799194.db2.gz UPJBCHGVJWOVDK-GHMZBOCLSA-N -1 0 321.264 -0.113 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@H](CCO)C2CCOCC2)C1 ZINC001574644025 1026799959 /nfs/dbraw/zinc/79/99/59/1026799959.db2.gz MJUVCAZDJINAIK-MWLCHTKSSA-N -1 0 300.311 -0.490 20 0 DBADRM CS(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H](CO)C(=O)[O-])o1 ZINC001574651479 1026800359 /nfs/dbraw/zinc/80/03/59/1026800359.db2.gz QYVKGPVEQXTJGZ-KHVHVRLGSA-N -1 0 303.292 -0.742 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)NN2CCS(=O)(=O)CC2)CO1 ZINC001574687889 1026801632 /nfs/dbraw/zinc/80/16/32/1026801632.db2.gz XLCQGQQVKWMYHI-ZJUUUORDSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1=O ZINC001574723134 1026803549 /nfs/dbraw/zinc/80/35/49/1026803549.db2.gz XGCLRAAQSYTADS-VHSXEESVSA-N -1 0 311.338 -0.906 20 0 DBADRM CCC(CC)(CNC(=O)NCCNS(C)(=O)=O)C(=O)[O-] ZINC000165117448 282099626 /nfs/dbraw/zinc/09/96/26/282099626.db2.gz QQXNMYQKCLSLCM-UHFFFAOYSA-N -1 0 309.388 -0.274 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)CCC(=O)[O-])cn1C ZINC000070311733 290623851 /nfs/dbraw/zinc/62/38/51/290623851.db2.gz UROWEHREKKSZHO-QMMMGPOBSA-N -1 0 317.367 -0.084 20 0 DBADRM CSCCN(CC(=O)[O-])S(=O)(=O)c1c(C)onc1N ZINC000594680719 412493654 /nfs/dbraw/zinc/49/36/54/412493654.db2.gz MSTKWRRQQCAJLT-UHFFFAOYSA-N -1 0 309.369 0.004 20 0 DBADRM CSc1nc(=NC(=O)NC[C@H](C)S(N)(=O)=O)s[n-]1 ZINC000354960639 295687267 /nfs/dbraw/zinc/68/72/67/295687267.db2.gz PRCPQJNJGVDOSW-BYPYZUCNSA-N -1 0 311.414 -0.520 20 0 DBADRM CN(CC(=O)N1CCSC[C@@H]1CC(=O)[O-])S(C)(=O)=O ZINC000262479800 529829446 /nfs/dbraw/zinc/82/94/46/529829446.db2.gz DFUBJNJYOIDBRD-QMMMGPOBSA-N -1 0 310.397 -0.704 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)c2nc(N)nc(N(C)C)n2)s[n-]1 ZINC000521636519 412507634 /nfs/dbraw/zinc/50/76/34/412507634.db2.gz MFUWVVJSVBUFER-RXMQYKEDSA-N -1 0 324.370 -0.247 20 0 DBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2c(C)onc2N)cn1 ZINC000569668811 412514766 /nfs/dbraw/zinc/51/47/66/412514766.db2.gz DWZJDQZWGYTDJV-UHFFFAOYSA-N -1 0 315.311 -0.264 20 0 DBADRM CCCC[C@H](NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-] ZINC000273178500 282965193 /nfs/dbraw/zinc/96/51/93/282965193.db2.gz IJMTXQOINDJFLS-NSHDSACASA-N -1 0 315.370 -0.222 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1c(C)onc1N)C(=O)[O-] ZINC000566311967 412518342 /nfs/dbraw/zinc/51/83/42/412518342.db2.gz JEXWPPOUPRRSIA-RQJHMYQMSA-N -1 0 307.328 -0.542 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1c(C)onc1N)C(=O)[O-] ZINC000566311965 412519528 /nfs/dbraw/zinc/51/95/28/412519528.db2.gz JEXWPPOUPRRSIA-RNFRBKRXSA-N -1 0 307.328 -0.542 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC000583325773 412523114 /nfs/dbraw/zinc/52/31/14/412523114.db2.gz YKQNGJSIEHJUDO-ZCFIWIBFSA-N -1 0 307.328 -0.589 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)/C=C\c1ccncn1 ZINC000493161542 412527331 /nfs/dbraw/zinc/52/73/31/412527331.db2.gz IOVLARRQGHGJRO-IHWYPQMZSA-N -1 0 309.307 -0.126 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000522000675 412535616 /nfs/dbraw/zinc/53/56/16/412535616.db2.gz SEFSDLVKGRMKPT-SNVBAGLBSA-N -1 0 318.337 -0.059 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000262908003 295798234 /nfs/dbraw/zinc/79/82/34/295798234.db2.gz RLJQMUQQFMWISY-QMMMGPOBSA-N -1 0 313.335 -0.585 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)NCCc1nc(=O)o[n-]1 ZINC000280000041 535097777 /nfs/dbraw/zinc/09/77/77/535097777.db2.gz BOEASMPEECVCNS-UHFFFAOYSA-N -1 0 305.356 -0.373 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](CO)C(N)=O ZINC000341728470 138113534 /nfs/dbraw/zinc/11/35/34/138113534.db2.gz AADRFFNATWUMJK-JTQLQIEISA-N -1 0 315.351 -0.976 20 0 DBADRM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cn[nH]c3)cc2[nH]c1=O ZINC000341719020 138113564 /nfs/dbraw/zinc/11/35/64/138113564.db2.gz RHTISPZEJSSBNM-UHFFFAOYSA-N -1 0 307.291 -0.260 20 0 DBADRM CC(C)C(=O)NCCN(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000355690040 138141151 /nfs/dbraw/zinc/14/11/51/138141151.db2.gz VDICEZYNGAJRFK-UHFFFAOYSA-N -1 0 301.372 -0.167 20 0 DBADRM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000356632357 138143930 /nfs/dbraw/zinc/14/39/30/138143930.db2.gz AMQQWZDQUIKGIW-HTQZYQBOSA-N -1 0 318.399 -0.123 20 0 DBADRM CC(C)n1cc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cn1 ZINC000356743773 138144462 /nfs/dbraw/zinc/14/44/62/138144462.db2.gz OICNSKQDOWBXBU-UHFFFAOYSA-N -1 0 312.355 -0.053 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)[C@@H]1COCCN1CC1CCC1 ZINC000356775214 138144843 /nfs/dbraw/zinc/14/48/43/138144843.db2.gz OSCRBJNZIUKGBN-NSHDSACASA-N -1 0 306.370 -0.194 20 0 DBADRM NC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC000343082027 138131633 /nfs/dbraw/zinc/13/16/33/138131633.db2.gz WDKUKKIPVXNPQS-SNVBAGLBSA-N -1 0 317.305 -0.087 20 0 DBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC(=O)[O-] ZINC000358859242 138150907 /nfs/dbraw/zinc/15/09/07/138150907.db2.gz PIPNWQIBFJWGTO-UHFFFAOYSA-N -1 0 322.364 -0.652 20 0 DBADRM Cc1nc(=NC(=O)Cn2cnc3c(cnn3C)c2=O)s[n-]1 ZINC000362136894 138151503 /nfs/dbraw/zinc/15/15/03/138151503.db2.gz YJFTXYQQOANGBK-UHFFFAOYSA-N -1 0 305.323 -0.649 20 0 DBADRM Cn1cc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)nc1Cl ZINC000370143571 138156598 /nfs/dbraw/zinc/15/65/98/138156598.db2.gz WJJUZNYJWMNWGB-UHFFFAOYSA-N -1 0 323.758 -0.014 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N1CCN2CCOC[C@@H]2C1 ZINC000370535254 138158110 /nfs/dbraw/zinc/15/81/10/138158110.db2.gz JAFYRNUGPOYXDH-QMMMGPOBSA-N -1 0 303.306 -0.601 20 0 DBADRM COCC1(C(=O)[O-])CCN(S(=O)(=O)c2c[nH]cn2)CC1 ZINC000370541730 138158192 /nfs/dbraw/zinc/15/81/92/138158192.db2.gz JLZULXBATQGQDP-UHFFFAOYSA-N -1 0 303.340 -0.088 20 0 DBADRM COc1ccc(C(=O)N2CCC[C@H]2C(=O)[N-]OCC(N)=O)cc1 ZINC000374261508 138176644 /nfs/dbraw/zinc/17/66/44/138176644.db2.gz FKNMLKHXCOWYPD-LBPRGKRZSA-N -1 0 321.333 -0.167 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)cn1 ZINC000407961821 138199974 /nfs/dbraw/zinc/19/99/74/138199974.db2.gz BBYSFPNQYNVMKO-MRVPVSSYSA-N -1 0 312.351 -0.764 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)cn1 ZINC000407961827 138200281 /nfs/dbraw/zinc/20/02/81/138200281.db2.gz BBYSFPNQYNVMKO-QMMMGPOBSA-N -1 0 312.351 -0.764 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000408121856 138207455 /nfs/dbraw/zinc/20/74/55/138207455.db2.gz RLNHCWBMFLHSPK-KWQFWETISA-N -1 0 304.393 -0.016 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)n1 ZINC000408138004 138208418 /nfs/dbraw/zinc/20/84/18/138208418.db2.gz LBKMTDMKSCLHNN-VIFPVBQESA-N -1 0 302.356 -0.216 20 0 DBADRM Cc1nc(=NC(=O)C2CCN(S(C)(=O)=O)CC2)s[n-]1 ZINC000408246493 138212261 /nfs/dbraw/zinc/21/22/61/138212261.db2.gz JTSVKMDYRISPKC-UHFFFAOYSA-N -1 0 304.397 -0.121 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)CC1=O ZINC000408250128 138212360 /nfs/dbraw/zinc/21/23/60/138212360.db2.gz IBSYSUKLPPQNHA-MNOVXSKESA-N -1 0 318.395 -0.273 20 0 DBADRM CC(C)(C)N1C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)CC1=O ZINC000408385350 138216382 /nfs/dbraw/zinc/21/63/82/138216382.db2.gz LLHCKGHBVNVPJU-NXEZZACHSA-N -1 0 318.395 -0.132 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000408384980 138216450 /nfs/dbraw/zinc/21/64/50/138216450.db2.gz KONUMYPKEASUMC-JTQLQIEISA-N -1 0 301.368 -0.186 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C1 ZINC000408390032 138216868 /nfs/dbraw/zinc/21/68/68/138216868.db2.gz QNPVXHHLSYBMAG-QWRGUYRKSA-N -1 0 304.368 -0.520 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000408388755 138217111 /nfs/dbraw/zinc/21/71/11/138217111.db2.gz WTWCDFNSPXBDOV-PSASIEDQSA-N -1 0 302.352 -0.768 20 0 DBADRM Cc1sc(=O)n(CC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1C ZINC000408388988 138217301 /nfs/dbraw/zinc/21/73/01/138217301.db2.gz YENPOCWRUQRDBB-VIFPVBQESA-N -1 0 320.392 -0.238 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)C1 ZINC000408409247 138217725 /nfs/dbraw/zinc/21/77/25/138217725.db2.gz VSACKYULJZVNEK-VXGBXAGGSA-N -1 0 318.395 -0.130 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000408426571 138218382 /nfs/dbraw/zinc/21/83/82/138218382.db2.gz KQTLBXSBGZTIIN-MNOVXSKESA-N -1 0 318.395 -0.130 20 0 DBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000408495466 138220146 /nfs/dbraw/zinc/22/01/46/138220146.db2.gz JDJXUMVHLPCADC-OUAUKWLOSA-N -1 0 316.379 -0.520 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)CC1=O ZINC000408502907 138220164 /nfs/dbraw/zinc/22/01/64/138220164.db2.gz RNUHRAWQWBIRPE-GHMZBOCLSA-N -1 0 318.395 -0.130 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C1 ZINC000408484273 138220557 /nfs/dbraw/zinc/22/05/57/138220557.db2.gz ZFXZLOVXGJGLNW-UTLUCORTSA-N -1 0 304.368 -0.487 20 0 DBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)c(=O)c1 ZINC000408487544 138220573 /nfs/dbraw/zinc/22/05/73/138220573.db2.gz WGLFSWCLWVCEMT-NSHDSACASA-N -1 0 314.363 -0.218 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)CN1CCCS1(=O)=O ZINC000262183783 304079560 /nfs/dbraw/zinc/07/95/60/304079560.db2.gz QHIBJVUVFVQPJW-SECBINFHSA-N -1 0 322.408 -0.559 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000091128406 304079822 /nfs/dbraw/zinc/07/98/22/304079822.db2.gz HNDDRAQIGCECRN-RKDXNWHRSA-N -1 0 307.393 -0.160 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)CCNS(=O)(=O)c1cccnc1 ZINC000427756973 236915524 /nfs/dbraw/zinc/91/55/24/236915524.db2.gz HPEBETLCCSJTJL-VIFPVBQESA-N -1 0 315.351 -0.271 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc(C)ccn1 ZINC000491488914 291176310 /nfs/dbraw/zinc/17/63/10/291176310.db2.gz RFMWLVLGZQQPEH-UHFFFAOYSA-N -1 0 301.324 -0.107 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@H]1C[C@@H](O)C1 ZINC000412404748 237161636 /nfs/dbraw/zinc/16/16/36/237161636.db2.gz VBERUEZEXRPOLG-OCAPTIKFSA-N -1 0 320.317 -0.117 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)[C@@H]1CCCCS1(=O)=O ZINC000167971136 304084876 /nfs/dbraw/zinc/08/48/76/304084876.db2.gz MRUQRQZCGSPNNV-UWVGGRQHSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C(Cn1nnc2ccccc2c1=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000414452283 237232774 /nfs/dbraw/zinc/23/27/74/237232774.db2.gz PGTWJHBYKQLZTE-DTORHVGOSA-N -1 0 302.290 -0.229 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000091128405 304086415 /nfs/dbraw/zinc/08/64/15/304086415.db2.gz HNDDRAQIGCECRN-IUCAKERBSA-N -1 0 307.393 -0.160 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@@H]1CC[C@H]1O ZINC000425055577 237388542 /nfs/dbraw/zinc/38/85/42/237388542.db2.gz DMYJHQSSXGWXTL-NXEZZACHSA-N -1 0 320.317 -0.117 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C1 ZINC000054053878 283548761 /nfs/dbraw/zinc/54/87/61/283548761.db2.gz LWBOEPYZDFYMNL-VHSXEESVSA-N -1 0 322.383 -0.089 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@]1(C(=O)OC)CCOC1 ZINC000340873947 291226753 /nfs/dbraw/zinc/22/67/53/291226753.db2.gz CPZMYQAXUMRHEM-GZMMTYOYSA-N -1 0 309.340 -0.953 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)N1CCc2ccccc2C1 ZINC000090262791 283558601 /nfs/dbraw/zinc/55/86/01/283558601.db2.gz OOPLBIASQFNZSB-NSHDSACASA-N -1 0 300.336 -0.675 20 0 DBADRM COCCOc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000090262797 283558616 /nfs/dbraw/zinc/55/86/16/283558616.db2.gz DFOSMWNGMQCUNC-NSHDSACASA-N -1 0 319.335 -0.564 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)no1 ZINC000091294187 283559555 /nfs/dbraw/zinc/55/95/55/283559555.db2.gz WGSPTWSXOMZECM-JTQLQIEISA-N -1 0 304.324 -0.012 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(S(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC000113282587 283560844 /nfs/dbraw/zinc/56/08/44/283560844.db2.gz HDGSQGSNKLYGNO-MRVPVSSYSA-N -1 0 308.356 -0.048 20 0 DBADRM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1nc(=O)[nH][n-]1 ZINC000129568689 283569609 /nfs/dbraw/zinc/56/96/09/283569609.db2.gz GCDZEOKZDKTXGK-SNVBAGLBSA-N -1 0 303.322 -0.473 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@@H]3C=CCCC3)cc-2c(=O)[n-]1 ZINC000127752499 283567766 /nfs/dbraw/zinc/56/77/66/283567766.db2.gz FOHYAAXJHXEUJQ-MRVPVSSYSA-N -1 0 322.346 -0.002 20 0 DBADRM O=C(NC[C@@H]1CCCC(=O)N1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000447743884 238333868 /nfs/dbraw/zinc/33/38/68/238333868.db2.gz IKOKAUNAADJSAX-QMMMGPOBSA-N -1 0 317.305 -0.166 20 0 DBADRM COC[C@@H](NC(=O)[C@H](C)NC(=O)COc1ccccc1)C(=O)[O-] ZINC000449001323 238350109 /nfs/dbraw/zinc/35/01/09/238350109.db2.gz KMNDMGALYWJVOF-CMPLNLGQSA-N -1 0 324.333 -0.214 20 0 DBADRM COC[C@H](NC(=O)C(=O)NCCCc1ccccc1)C(=O)[O-] ZINC000449002873 238350280 /nfs/dbraw/zinc/35/02/80/238350280.db2.gz NMFQRVJCTVFFKX-LBPRGKRZSA-N -1 0 308.334 -0.049 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000450522265 238361409 /nfs/dbraw/zinc/36/14/09/238361409.db2.gz ZZCCSUYLEREADW-UHFFFAOYSA-N -1 0 314.363 -0.065 20 0 DBADRM O=C(CNC(=O)c1ncccc1O)NCc1nnc(C2CC2)[nH]1 ZINC000452422320 238398934 /nfs/dbraw/zinc/39/89/34/238398934.db2.gz UGXZAAFIYSEYEW-UHFFFAOYSA-N -1 0 316.321 -0.171 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000532677101 283622306 /nfs/dbraw/zinc/62/23/06/283622306.db2.gz GWWIXLAWBWNGGD-ZETCQYMHSA-N -1 0 303.340 -0.190 20 0 DBADRM NC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC000507422271 238638587 /nfs/dbraw/zinc/63/85/87/238638587.db2.gz HSJLIPSTNINEHM-GHMZBOCLSA-N -1 0 319.317 -0.049 20 0 DBADRM O=C(NCCN1CCNC(=O)C1)c1cc(F)c(F)c([O-])c1F ZINC000542672985 283698136 /nfs/dbraw/zinc/69/81/36/283698136.db2.gz ARQLYFRYLDZBKE-UHFFFAOYSA-N -1 0 317.267 -0.029 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc2nnnn2c1)[C@H](C)C(=O)[O-] ZINC000543752336 283707887 /nfs/dbraw/zinc/70/78/87/283707887.db2.gz LZYJDSNFMDOSQP-MRVPVSSYSA-N -1 0 320.309 -0.824 20 0 DBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC000547545791 283742364 /nfs/dbraw/zinc/74/23/64/283742364.db2.gz MFJJGSNGKNJBNX-GUBZILKMSA-N -1 0 323.367 -0.527 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000547566317 283745077 /nfs/dbraw/zinc/74/50/77/283745077.db2.gz YBSIUASHWHPGEM-UWVGGRQHSA-N -1 0 320.367 -0.982 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)OC)oc1C)C(=O)[O-] ZINC000547573474 283745458 /nfs/dbraw/zinc/74/54/58/283745458.db2.gz TUPBMBCHZKMXHF-ZETCQYMHSA-N -1 0 321.307 -0.247 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000547592729 283745933 /nfs/dbraw/zinc/74/59/33/283745933.db2.gz JKRHMEKHPWZSBJ-ZJUUUORDSA-N -1 0 322.383 -0.089 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC000547545794 283743270 /nfs/dbraw/zinc/74/32/70/283743270.db2.gz MFJJGSNGKNJBNX-UTLUCORTSA-N -1 0 323.367 -0.527 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c[nH]c(C(=O)OC)c1 ZINC000547911772 283758544 /nfs/dbraw/zinc/75/85/44/283758544.db2.gz UQUJIIJWYJTRNB-VIFPVBQESA-N -1 0 320.323 -0.479 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(C(=O)N3CCOCC3)C2)C1 ZINC000547925388 283759157 /nfs/dbraw/zinc/75/91/57/283759157.db2.gz WGDVMHOMEYFEGE-MNOVXSKESA-N -1 0 311.338 -0.554 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547881382 283756339 /nfs/dbraw/zinc/75/63/39/283756339.db2.gz IZTIOHYLBJIDTH-ONGXEEELSA-N -1 0 323.367 -0.261 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)c2ccnn2C)C(=O)[O-])c1 ZINC000547882048 283756341 /nfs/dbraw/zinc/75/63/41/283756341.db2.gz IDMUBJQOZXXKEN-SECBINFHSA-N -1 0 313.339 -0.643 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-] ZINC000547889979 283756926 /nfs/dbraw/zinc/75/69/26/283756926.db2.gz MDKFRRBEHAUNDK-SECBINFHSA-N -1 0 305.356 -0.083 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(Cl)cnc1N)C(=O)[O-] ZINC000547886300 283756992 /nfs/dbraw/zinc/75/69/92/283756992.db2.gz VIUOPJFEMWHRTL-ZCFIWIBFSA-N -1 0 309.731 -0.305 20 0 DBADRM Cn1cc(C[C@H](CNS(=O)(=O)CCCF)C(=O)[O-])cn1 ZINC000547896954 283757484 /nfs/dbraw/zinc/75/74/84/283757484.db2.gz WHAAQLWFBSJQNO-SNVBAGLBSA-N -1 0 307.347 -0.058 20 0 DBADRM C[C@](CO)(CNS(=O)(=O)C[C@@H]1CCCCO1)CC(=O)[O-] ZINC000548029998 283763873 /nfs/dbraw/zinc/76/38/73/283763873.db2.gz QBBXQOXSIFVULI-CMPLNLGQSA-N -1 0 309.384 -0.052 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(C(=O)N3CCOCC3)C2)C1 ZINC000547925390 283759783 /nfs/dbraw/zinc/75/97/83/283759783.db2.gz WGDVMHOMEYFEGE-WDEREUQCSA-N -1 0 311.338 -0.554 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)cn1 ZINC000547934501 283760521 /nfs/dbraw/zinc/76/05/21/283760521.db2.gz PQVWWDZHOBVOHL-JTQLQIEISA-N -1 0 303.340 -0.329 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)C3CC3)C2)C1 ZINC000548244962 283772340 /nfs/dbraw/zinc/77/23/40/283772340.db2.gz XICRYPMAMYCXKP-BDAKNGLRSA-N -1 0 302.352 -0.514 20 0 DBADRM O=C([O-])C[C@@H](NS(=O)(=O)[C@H]1CCOC1)C1CCOCC1 ZINC000548239736 283772411 /nfs/dbraw/zinc/77/24/11/283772411.db2.gz QZDROJKJDCOQQB-WDEREUQCSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)C3CC3)C2)C1 ZINC000548244964 283772460 /nfs/dbraw/zinc/77/24/60/283772460.db2.gz XICRYPMAMYCXKP-IUCAKERBSA-N -1 0 302.352 -0.514 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-] ZINC000548221101 283770725 /nfs/dbraw/zinc/77/07/25/283770725.db2.gz PDTDNVMLXSHPEM-WPRPVWTQSA-N -1 0 319.339 -0.778 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)N1CCC[C@@H]1C)C(=O)[O-] ZINC000548221235 283771358 /nfs/dbraw/zinc/77/13/58/283771358.db2.gz SCEYWIQAXYQKBO-DTWKUNHWSA-N -1 0 308.356 -0.289 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000548236137 283771902 /nfs/dbraw/zinc/77/19/02/283771902.db2.gz VFPUBAHEUGDDPI-BDAKNGLRSA-N -1 0 309.340 -0.821 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC000548231759 283771943 /nfs/dbraw/zinc/77/19/43/283771943.db2.gz RYPZNVZATYCZCS-ZETCQYMHSA-N -1 0 305.356 -0.127 20 0 DBADRM CN(CC1CC1)S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000548549579 283784403 /nfs/dbraw/zinc/78/44/03/283784403.db2.gz OVEBVOUXYZTGRX-SNVBAGLBSA-N -1 0 319.383 -0.904 20 0 DBADRM CCCN(C)S(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000548557438 283784827 /nfs/dbraw/zinc/78/48/27/283784827.db2.gz ZKHSHFLTKJOZBF-LLVKDONJSA-N -1 0 318.399 -0.160 20 0 DBADRM CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000548555912 283784947 /nfs/dbraw/zinc/78/49/47/283784947.db2.gz FBQINOLYYJZATK-QMMMGPOBSA-N -1 0 317.367 -0.004 20 0 DBADRM C[C@H](C1CC1)N(C)S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000548570794 283785106 /nfs/dbraw/zinc/78/51/06/283785106.db2.gz YFHZEMWWFOOOLD-MRVPVSSYSA-N -1 0 317.371 -0.573 20 0 DBADRM O=C([O-])[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)N1CCOCC1 ZINC000548528024 283782338 /nfs/dbraw/zinc/78/23/38/283782338.db2.gz UFSSBUASOBEGKW-VHSXEESVSA-N -1 0 308.356 -0.967 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000548530941 283782660 /nfs/dbraw/zinc/78/26/60/283782660.db2.gz MRXQTLOSTDZJOX-DCAQKATOSA-N -1 0 306.384 -0.222 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000548531748 283783095 /nfs/dbraw/zinc/78/30/95/283783095.db2.gz VENDGPRKJDVQIQ-SNVBAGLBSA-N -1 0 312.303 -0.748 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)cn1 ZINC000548538325 283783748 /nfs/dbraw/zinc/78/37/48/283783748.db2.gz JFPWGWZCASJAFJ-WPRPVWTQSA-N -1 0 303.340 -0.329 20 0 DBADRM CN=c1[n-]nc(CC(=O)N=c2cc(OC(F)F)n(C)[nH]2)s1 ZINC000548637310 283787770 /nfs/dbraw/zinc/78/77/70/283787770.db2.gz PAXZROFJNANXHV-UHFFFAOYSA-N -1 0 318.309 -0.060 20 0 DBADRM CC1(C)CN(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)CCO1 ZINC000548592548 283786616 /nfs/dbraw/zinc/78/66/16/283786616.db2.gz ITJNEOQNHAVCNN-NXEZZACHSA-N -1 0 304.368 -0.039 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCCOCC(=O)[O-] ZINC000548589319 283786694 /nfs/dbraw/zinc/78/66/94/283786694.db2.gz LXZFHNQACZXPQZ-NXEZZACHSA-N -1 0 323.367 -0.261 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000548592843 283786700 /nfs/dbraw/zinc/78/67/00/283786700.db2.gz UAXKZRXWMAZELR-WPRPVWTQSA-N -1 0 305.356 -0.379 20 0 DBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)CCCCF ZINC000548769780 283792524 /nfs/dbraw/zinc/79/25/24/283792524.db2.gz HTXQLOCUNWDJEZ-WNWIJWBNSA-N -1 0 301.361 -0.417 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)NC2(C(=O)[O-])CCC2)cn1 ZINC000548771192 283793174 /nfs/dbraw/zinc/79/31/74/283793174.db2.gz MCDCGAPFKKLXPZ-UHFFFAOYSA-N -1 0 317.323 -0.658 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCCS(C)(=O)=O ZINC000548867786 283794877 /nfs/dbraw/zinc/79/48/77/283794877.db2.gz WAZXCKGRNSIYPX-IUCAKERBSA-N -1 0 313.397 -0.454 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)c1c(Cl)cnn1C)C(=O)[O-] ZINC000555221547 283941997 /nfs/dbraw/zinc/94/19/97/283941997.db2.gz CESVAWDDUATDLE-SSDOTTSWSA-N -1 0 311.747 -0.159 20 0 DBADRM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NC)nc1)C(=O)[O-] ZINC000560444746 283992219 /nfs/dbraw/zinc/99/22/19/283992219.db2.gz XKXZSOHLTGASTR-MRVPVSSYSA-N -1 0 301.324 -0.417 20 0 DBADRM CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000562374731 284008319 /nfs/dbraw/zinc/00/83/19/284008319.db2.gz KQTLCIYJDHGXKZ-VXNVDRBHSA-N -1 0 318.355 -0.934 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)NCCCO[C@@H]1CCOC1 ZINC000561541956 284002832 /nfs/dbraw/zinc/00/28/32/284002832.db2.gz CKQPHENTMDGPME-MNOVXSKESA-N -1 0 302.327 -0.323 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)[C@@H]2CCOC2)C[C@@]12CCOC2 ZINC000562425200 284009664 /nfs/dbraw/zinc/00/96/64/284009664.db2.gz ZHUMKVUGXGJYCT-JFGNBEQYSA-N -1 0 305.352 -0.472 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000562425315 284010222 /nfs/dbraw/zinc/01/02/22/284010222.db2.gz NYNLXQBMMJPCAU-JQWIXIFHSA-N -1 0 322.383 -0.768 20 0 DBADRM COCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000562483453 284011786 /nfs/dbraw/zinc/01/17/86/284011786.db2.gz ZLKFCASDOFSHCU-NWDGAFQWSA-N -1 0 317.363 -0.391 20 0 DBADRM CC[C@H](CCNS(=O)(=O)N(C)CCC(=O)OC)C(=O)[O-] ZINC000562651132 284013614 /nfs/dbraw/zinc/01/36/14/284013614.db2.gz GCLMERAWGNJHMX-SECBINFHSA-N -1 0 310.372 -0.183 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)co1 ZINC000563133302 284025415 /nfs/dbraw/zinc/02/54/15/284025415.db2.gz YXGDMYFWJOHNAF-SSDOTTSWSA-N -1 0 302.308 -0.266 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cc[nH]n2)C[C@H]1C(=O)[O-] ZINC000563133871 284025430 /nfs/dbraw/zinc/02/54/30/284025430.db2.gz PLISSIHKHUSYAY-MWLCHTKSSA-N -1 0 308.338 -0.063 20 0 DBADRM CO[C@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2cnn(C)c2)C1 ZINC000563079362 284022053 /nfs/dbraw/zinc/02/20/53/284022053.db2.gz FNIDCDZBCBHKBV-BDAKNGLRSA-N -1 0 303.340 -0.327 20 0 DBADRM COCCO[C@H]1C[C@H](CO)CN(C(=O)NCCCC(=O)[O-])C1 ZINC000563092297 284022378 /nfs/dbraw/zinc/02/23/78/284022378.db2.gz JFAHYPNSBDRVGU-RYUDHWBXSA-N -1 0 318.370 -0.093 20 0 DBADRM CC[C@H](C)C[C@H](NC(=O)CNC(=O)CNC(C)=O)C(=O)[O-] ZINC000563200571 284028894 /nfs/dbraw/zinc/02/88/94/284028894.db2.gz IKHLHFZFEKMDSC-WPRPVWTQSA-N -1 0 301.343 -0.756 20 0 DBADRM C[C@@](O)(CNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1)C(=O)[O-] ZINC000563413591 284037995 /nfs/dbraw/zinc/03/79/95/284037995.db2.gz CSDBRDUBLNSEQB-HZPDHXFCSA-N -1 0 320.345 -0.214 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3)CCS1(=O)=O ZINC000563432274 284038734 /nfs/dbraw/zinc/03/87/34/284038734.db2.gz MNIXHZMAFHLRDX-LBPRGKRZSA-N -1 0 324.358 -0.022 20 0 DBADRM CCC[C@]1(C)C(=O)NCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000275770203 284040618 /nfs/dbraw/zinc/04/06/18/284040618.db2.gz DKIWOPNXYCLLFG-CQSZACIVSA-N -1 0 308.338 -0.383 20 0 DBADRM C[C@H](O)[C@@H](NS(=O)(=O)c1cn2c(n1)CCC[C@H]2C)C(=O)[O-] ZINC000563521982 284041858 /nfs/dbraw/zinc/04/18/58/284041858.db2.gz XSGGIRRNHAXGKP-VHSKPIJISA-N -1 0 317.367 -0.107 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-] ZINC000563716154 284047718 /nfs/dbraw/zinc/04/77/18/284047718.db2.gz NDPYALFKDBLEHO-SCZZXKLOSA-N -1 0 318.351 -0.329 20 0 DBADRM C[C@@H](C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1)N1C(=O)CCC1=O ZINC000563621561 284044906 /nfs/dbraw/zinc/04/49/06/284044906.db2.gz ACVPDFBRTIFTQU-QMMMGPOBSA-N -1 0 321.337 -0.246 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)CCOC(F)(F)F)[C@H]1CCOC1 ZINC000563791183 284048616 /nfs/dbraw/zinc/04/86/16/284048616.db2.gz QLTMECFWVAUQIG-BQBZGAKWSA-N -1 0 321.273 -0.068 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)CCOC(F)(F)F)[C@@H]1CCOC1 ZINC000563791186 284048788 /nfs/dbraw/zinc/04/87/88/284048788.db2.gz QLTMECFWVAUQIG-RQJHMYQMSA-N -1 0 321.273 -0.068 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2ccn(C)n2)C[C@@H]1C(=O)[O-] ZINC000563811027 284049645 /nfs/dbraw/zinc/04/96/45/284049645.db2.gz QDPAPYQQBZUBBI-KOLCDFICSA-N -1 0 308.338 -0.395 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000564638128 284063599 /nfs/dbraw/zinc/06/35/99/284063599.db2.gz VGTMPSDISVLYNY-OPRDCNLKSA-N -1 0 310.372 -0.580 20 0 DBADRM CC[C@@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)[O-] ZINC000564699349 284065036 /nfs/dbraw/zinc/06/50/36/284065036.db2.gz FYRBMJSYCWPOCR-MRVPVSSYSA-N -1 0 320.305 -0.775 20 0 DBADRM CN(Cc1cnn(C)c1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000564923827 284071833 /nfs/dbraw/zinc/07/18/33/284071833.db2.gz WCZYUGQDZVDDLE-SNVBAGLBSA-N -1 0 302.356 -0.354 20 0 DBADRM Cn1ccc(S(=O)(=O)NC2(CC(=O)[O-])CCOCC2)n1 ZINC000564921233 284071940 /nfs/dbraw/zinc/07/19/40/284071940.db2.gz BGKIJFUJGMBRLO-UHFFFAOYSA-N -1 0 303.340 -0.278 20 0 DBADRM COCCN(C)S(=O)(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000564928747 284072555 /nfs/dbraw/zinc/07/25/55/284072555.db2.gz HVHJLHQNBOJZTI-UHFFFAOYSA-N -1 0 323.396 -0.204 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)Cc2ccn(C)n2)C1=O ZINC000564978971 284075576 /nfs/dbraw/zinc/07/55/76/284075576.db2.gz PYGFBOQSYHIPOG-DGCLKSJQSA-N -1 0 322.365 -0.211 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2ccnn2C)C[C@H]1C(=O)[O-] ZINC000564987607 284076504 /nfs/dbraw/zinc/07/65/04/284076504.db2.gz ZNIGFIGKCIWUNJ-MWLCHTKSSA-N -1 0 308.338 -0.395 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)NCCCC(=O)[O-] ZINC000564987180 284076563 /nfs/dbraw/zinc/07/65/63/284076563.db2.gz SXZJBMRGNGVCNX-VIFPVBQESA-N -1 0 322.383 -0.751 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)o1 ZINC000565057103 284080083 /nfs/dbraw/zinc/08/00/83/284080083.db2.gz BVWQKYGMDYPWLX-VIFPVBQESA-N -1 0 316.335 -0.201 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)C(N)=O ZINC000565061016 284080141 /nfs/dbraw/zinc/08/01/41/284080141.db2.gz LJUAJQLPJSOGMK-SNVBAGLBSA-N -1 0 300.336 -0.144 20 0 DBADRM O=C([O-])c1ccc(N2CCC[C@](O)(Cn3ccnn3)C2)nn1 ZINC000565039964 284079065 /nfs/dbraw/zinc/07/90/65/284079065.db2.gz FJNXOIHDCUNHRY-CYBMUJFWSA-N -1 0 304.310 -0.202 20 0 DBADRM C[C@H](COC1CCCC1)CS(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000565053445 284079576 /nfs/dbraw/zinc/07/95/76/284079576.db2.gz BMGCRJYZDYQEQU-KOLCDFICSA-N -1 0 309.384 -0.053 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C1(C(=O)[O-])CC1 ZINC000565048324 284079592 /nfs/dbraw/zinc/07/95/92/284079592.db2.gz SLUXYKRQMPNEFK-RKDXNWHRSA-N -1 0 304.368 -0.315 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000565224390 284088337 /nfs/dbraw/zinc/08/83/37/284088337.db2.gz GLDBFKAFPYOLNH-SNVBAGLBSA-N -1 0 306.384 -0.019 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N[C@@H](CO)[C@@H]1CCCOC1 ZINC000565237218 284090113 /nfs/dbraw/zinc/09/01/13/284090113.db2.gz YQCNUMAKSKXIOW-SFYZADRCSA-N -1 0 306.306 -0.240 20 0 DBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCC(=O)[O-] ZINC000565617236 284100871 /nfs/dbraw/zinc/10/08/71/284100871.db2.gz ZCHZAKHADXITSB-UHFFFAOYSA-N -1 0 315.351 -0.179 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)C[C@]12CCOC2 ZINC000565518217 284097419 /nfs/dbraw/zinc/09/74/19/284097419.db2.gz CUVZCMWTZSJCHR-GVXVVHGQSA-N -1 0 319.379 -0.082 20 0 DBADRM O=S(=O)([N-]C[C@@H](O)Cn1ccnn1)c1c(F)cccc1F ZINC000565609558 284100450 /nfs/dbraw/zinc/10/04/50/284100450.db2.gz OWXWSRXRYGPFOB-MRVPVSSYSA-N -1 0 318.305 -0.104 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)Cn1nnnc1-c1ccsc1 ZINC000565833977 284105564 /nfs/dbraw/zinc/10/55/64/284105564.db2.gz WEUNEECFPDFOGC-VIFPVBQESA-N -1 0 323.334 -0.286 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cscn1 ZINC000565950200 284107908 /nfs/dbraw/zinc/10/79/08/284107908.db2.gz AWMPXBVJYDGCMI-ZETCQYMHSA-N -1 0 321.380 -0.257 20 0 DBADRM C[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C1(S(C)(=O)=O)CC1 ZINC000352339093 296137755 /nfs/dbraw/zinc/13/77/55/296137755.db2.gz ZIRABNDNTFFEIV-ZCFIWIBFSA-N -1 0 324.346 -0.062 20 0 DBADRM COC(=O)[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H](C)O1 ZINC000123410668 291473779 /nfs/dbraw/zinc/47/37/79/291473779.db2.gz AJCBADXLPJVNDO-KOLCDFICSA-N -1 0 306.322 -0.215 20 0 DBADRM COC(=O)C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC000598280745 376202349 /nfs/dbraw/zinc/20/23/49/376202349.db2.gz ZRUBRCKMQFXFEU-SECBINFHSA-N -1 0 309.322 -0.195 20 0 DBADRM COC(=O)Cn1cc(I)c(=O)[nH]c1=O ZINC000147601120 374278733 /nfs/dbraw/zinc/27/87/33/374278733.db2.gz CTXPXFJGBFKKNC-UHFFFAOYSA-N -1 0 310.047 -0.686 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000616317399 374288044 /nfs/dbraw/zinc/28/80/44/374288044.db2.gz WCTIKGZYKNAPRQ-VXGBXAGGSA-N -1 0 319.317 -0.155 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1c(C)nn(C)c1C)CC(=O)[O-] ZINC000232107813 374284134 /nfs/dbraw/zinc/28/41/34/374284134.db2.gz XNXJBEZBNBNCCU-SECBINFHSA-N -1 0 305.356 -0.195 20 0 DBADRM O=C(CNS(=O)(=O)c1ccccc1)NC1(c2nnn[n-]2)CC1 ZINC000584025328 374392760 /nfs/dbraw/zinc/39/27/60/374392760.db2.gz AMJICSITTNXOFQ-UHFFFAOYSA-N -1 0 322.350 -0.717 20 0 DBADRM CO[C@H](CNS(=O)(=O)N1CCOC(C)(C)C1)CC(=O)[O-] ZINC000530541279 374392864 /nfs/dbraw/zinc/39/28/64/374392864.db2.gz QMGUESVXDUQAQK-VIFPVBQESA-N -1 0 310.372 -0.579 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)C(C)C ZINC000533573033 374392967 /nfs/dbraw/zinc/39/29/67/374392967.db2.gz YTAWELBGDUDDAZ-PWSUYJOCSA-N -1 0 324.385 -0.307 20 0 DBADRM CO[C@@H]1CC[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000234963723 374393209 /nfs/dbraw/zinc/39/32/09/374393209.db2.gz OMOOVLVQZWDDLG-DTWKUNHWSA-N -1 0 303.340 -0.187 20 0 DBADRM COCCOCCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000234824515 374390839 /nfs/dbraw/zinc/39/08/39/374390839.db2.gz XTFZFAZGQQAEAD-UHFFFAOYSA-N -1 0 321.355 -0.701 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)cn1C ZINC000050253335 374420841 /nfs/dbraw/zinc/42/08/41/374420841.db2.gz NUVWZYGWWJUFBH-JTQLQIEISA-N -1 0 305.381 -0.033 20 0 DBADRM CCn1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])nc1C ZINC000050265412 374423241 /nfs/dbraw/zinc/42/32/41/374423241.db2.gz XDMJZYCQASWYKN-RKDXNWHRSA-N -1 0 303.340 -0.580 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCNS(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC000128335777 374429442 /nfs/dbraw/zinc/42/94/42/374429442.db2.gz CADMOKVARBRIMP-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H]1CCCN(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC000128971318 374429780 /nfs/dbraw/zinc/42/97/80/374429780.db2.gz KYZBIDJHKIPASO-GXSJLCMTSA-N -1 0 316.383 -0.028 20 0 DBADRM Cn1cc([C@@H](NS(=O)(=O)N2CCCCC2)C(=O)[O-])cn1 ZINC000130830489 374430243 /nfs/dbraw/zinc/43/02/43/374430243.db2.gz PDHZSAAOMILYPS-SNVBAGLBSA-N -1 0 302.356 -0.134 20 0 DBADRM COCC[N@@H+]1CCC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000616407679 374457999 /nfs/dbraw/zinc/45/79/99/374457999.db2.gz DPFIPTOAJDAAHR-LLVKDONJSA-N -1 0 319.365 -0.137 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c(C)s1 ZINC000037406596 374480946 /nfs/dbraw/zinc/48/09/46/374480946.db2.gz GUVQXPBEOZPMKC-SSDOTTSWSA-N -1 0 306.365 -0.028 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)OC)CN1C(=O)c1cc(=O)[nH][n-]1 ZINC000600321533 374493849 /nfs/dbraw/zinc/49/38/49/374493849.db2.gz SSXMVHWEBQAFDS-IONNQARKSA-N -1 0 311.294 -0.318 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)cc1O ZINC000617887812 374470557 /nfs/dbraw/zinc/47/05/57/374470557.db2.gz IOUKNHJMCLGQQA-MWLCHTKSSA-N -1 0 301.320 -0.360 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)CNC(=O)c2cccc(F)c2)CC1 ZINC000262757370 374548107 /nfs/dbraw/zinc/54/81/07/374548107.db2.gz JXHXBKJALZLADE-UHFFFAOYSA-N -1 0 324.308 -0.006 20 0 DBADRM COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)[N-]CC(F)(F)CO ZINC000234612546 374580719 /nfs/dbraw/zinc/58/07/19/374580719.db2.gz JVLCSLGCQLWGFZ-JGVFFNPUSA-N -1 0 301.311 -0.125 20 0 DBADRM CO[C@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)[C@@](C)(C(=O)[O-])C1 ZINC000634693844 374581888 /nfs/dbraw/zinc/58/18/88/374581888.db2.gz IXLVNGSSPLHONU-QMTHXVAHSA-N -1 0 311.338 -0.852 20 0 DBADRM O=C([O-])CN(CC(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 ZINC000092444427 374685818 /nfs/dbraw/zinc/68/58/18/374685818.db2.gz RVRSRLVMKITYKM-UHFFFAOYSA-N -1 0 318.273 -0.214 20 0 DBADRM COCCOCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000624615137 374733117 /nfs/dbraw/zinc/73/31/17/374733117.db2.gz NIINKGLKXSPXTM-UHFFFAOYSA-N -1 0 317.367 -0.154 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)N1CCSCC1 ZINC000126175827 374762109 /nfs/dbraw/zinc/76/21/09/374762109.db2.gz ZCSXEURFLAUVRH-SECBINFHSA-N -1 0 322.408 -0.271 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000261982418 374802605 /nfs/dbraw/zinc/80/26/05/374802605.db2.gz RODBYWDRDSJCLX-UHFFFAOYSA-N -1 0 315.370 -0.060 20 0 DBADRM CC(C)[C@@H](NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400106297 374807152 /nfs/dbraw/zinc/80/71/52/374807152.db2.gz DAXPKFALBJSGKH-NXEZZACHSA-N -1 0 321.399 -0.181 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000400109122 374807337 /nfs/dbraw/zinc/80/73/37/374807337.db2.gz FCXYBMRTNCXMSX-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000278831712 374810278 /nfs/dbraw/zinc/81/02/78/374810278.db2.gz YVALZFYYNWHTJS-ZJUUUORDSA-N -1 0 317.367 -0.100 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)NCCCC(=O)[O-])C1 ZINC000400116104 374810452 /nfs/dbraw/zinc/81/04/52/374810452.db2.gz IKWKDKDVKNPKBW-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM CCOC(=O)CCS(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000131789106 374778194 /nfs/dbraw/zinc/77/81/94/374778194.db2.gz BCZBRILEKJIBGZ-UHFFFAOYSA-N -1 0 309.340 -0.507 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cccc(CN2CCOCC2)c1 ZINC000600493593 374781353 /nfs/dbraw/zinc/78/13/53/374781353.db2.gz CEOWLJWATZYFSY-UHFFFAOYSA-N -1 0 302.338 -0.038 20 0 DBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1nnn[n-]1 ZINC000600493817 374781389 /nfs/dbraw/zinc/78/13/89/374781389.db2.gz DTKWIEZHHKPWQC-SECBINFHSA-N -1 0 316.387 -0.590 20 0 DBADRM O=C(CN1CCN(Cc2ccccc2)CC1)NCc1nnn[n-]1 ZINC000600497895 374785113 /nfs/dbraw/zinc/78/51/13/374785113.db2.gz QYTSQXDKIWHMOR-UHFFFAOYSA-N -1 0 315.381 -0.366 20 0 DBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)NCc1nnn[n-]1)C2=O ZINC000600498106 374787068 /nfs/dbraw/zinc/78/70/68/374787068.db2.gz VJPMYTQWQKJHRM-UHFFFAOYSA-N -1 0 300.278 -0.579 20 0 DBADRM O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCc1nnn[n-]1 ZINC000600505807 374789691 /nfs/dbraw/zinc/78/96/91/374789691.db2.gz SRQOTBWESADMJV-UHFFFAOYSA-N -1 0 315.742 -0.057 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000400181829 374888037 /nfs/dbraw/zinc/88/80/37/374888037.db2.gz HMEFMYOZIVGVKS-RKDXNWHRSA-N -1 0 305.356 -0.864 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000400193711 374890810 /nfs/dbraw/zinc/89/08/10/374890810.db2.gz NJWRDEVQKNIMTK-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000400218171 374892174 /nfs/dbraw/zinc/89/21/74/374892174.db2.gz XOMMAWNMVWWBRE-UHFFFAOYSA-N -1 0 321.399 -0.085 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400229631 374892889 /nfs/dbraw/zinc/89/28/89/374892889.db2.gz LSBISPXYPMCAKU-LPEHRKFASA-N -1 0 321.399 -0.181 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CCC[C@@]1(C)C(=O)[O-] ZINC000600700352 374842593 /nfs/dbraw/zinc/84/25/93/374842593.db2.gz CDFXESMEYMHZHR-ZANVPECISA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)Nc1cnn(CCF)c1)C(=O)[O-] ZINC000625950656 374941967 /nfs/dbraw/zinc/94/19/67/374941967.db2.gz AQXPMRAGFAUPAV-MRVPVSSYSA-N -1 0 300.290 -0.030 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccc3c2OCC3)CCO1 ZINC000625949425 374942313 /nfs/dbraw/zinc/94/23/13/374942313.db2.gz ICMKNUYBQIKVOB-LLVKDONJSA-N -1 0 320.301 -0.128 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000049062020 374946797 /nfs/dbraw/zinc/94/67/97/374946797.db2.gz HQGHQJHBUNYPLL-BDAKNGLRSA-N -1 0 309.340 -0.557 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000625955238 374947610 /nfs/dbraw/zinc/94/76/10/374947610.db2.gz WZHLZQIJWBMPBQ-IUCAKERBSA-N -1 0 322.321 -0.007 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000625953874 374947759 /nfs/dbraw/zinc/94/77/59/374947759.db2.gz SJPOCAQRWHDXII-MGCOHNPYSA-N -1 0 319.317 -0.368 20 0 DBADRM COCCS(=O)(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000042808323 374908463 /nfs/dbraw/zinc/90/84/63/374908463.db2.gz CQZCYJSUNSNOLD-UHFFFAOYSA-N -1 0 316.335 -0.111 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N2CCCC[C@@H]2C(=O)[O-])C1 ZINC000400305625 374909485 /nfs/dbraw/zinc/90/94/85/374909485.db2.gz RJGZUEHRRMEMTQ-VHSXEESVSA-N -1 0 319.383 -0.331 20 0 DBADRM C[C@H]1OCC[C@]12CN(C(=O)c1cnc([O-])n(C)c1=O)CCO2 ZINC000408298578 374912205 /nfs/dbraw/zinc/91/22/05/374912205.db2.gz PARQVERABVWEJI-OTYXRUKQSA-N -1 0 309.322 -0.494 20 0 DBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2cn(C)c(C)n2)cn1 ZINC000050254689 374998326 /nfs/dbraw/zinc/99/83/26/374998326.db2.gz ZEGHQLXGSQFATC-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000075102568 375000755 /nfs/dbraw/zinc/00/07/55/375000755.db2.gz ULLKNTDZWXRDHO-QMMMGPOBSA-N -1 0 319.360 -0.150 20 0 DBADRM C[C@H]1C(=O)CC[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C1(C)C ZINC000408483237 375016771 /nfs/dbraw/zinc/01/67/71/375016771.db2.gz BMJVFTYOZSXDFV-JGVFFNPUSA-N -1 0 304.368 -0.441 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)NCCCC(=O)[O-] ZINC000262672222 375035698 /nfs/dbraw/zinc/03/56/98/375035698.db2.gz XMOWYZHYDGLAKX-UHFFFAOYSA-N -1 0 310.372 -0.688 20 0 DBADRM CC(C)C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000262673299 375036126 /nfs/dbraw/zinc/03/61/26/375036126.db2.gz QHOXNIVDCLFMSH-JTQLQIEISA-N -1 0 321.399 -0.483 20 0 DBADRM C[C@H](CCO)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000121210782 375039349 /nfs/dbraw/zinc/03/93/49/375039349.db2.gz XGQBINGUBJAQOZ-ZCFIWIBFSA-N -1 0 320.143 -0.814 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)C[C@@]2(C(=O)[O-])CCOC2)C1 ZINC000634893183 375069948 /nfs/dbraw/zinc/06/99/48/375069948.db2.gz IFICIZLPMDZKCT-AWEZNQCLSA-N -1 0 314.338 -0.817 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])C1 ZINC000634893157 375070335 /nfs/dbraw/zinc/07/03/35/375070335.db2.gz GUHFLNYHWRHDNK-NWDGAFQWSA-N -1 0 310.350 -0.031 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000634922761 375076513 /nfs/dbraw/zinc/07/65/13/375076513.db2.gz KHZXGBKMIDCSKK-ZJUUUORDSA-N -1 0 304.368 -0.409 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@H]1CCC[C@H]1C(=O)[O-] ZINC000634922833 375077250 /nfs/dbraw/zinc/07/72/50/375077250.db2.gz LTDGLWSHJAPEGV-WDEREUQCSA-N -1 0 318.395 -0.019 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000262711572 375080683 /nfs/dbraw/zinc/08/06/83/375080683.db2.gz PTTRZJJNABOTAD-WPRPVWTQSA-N -1 0 300.336 -0.134 20 0 DBADRM O=C([O-])[C@@H](C1CC1)[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000635015081 375082723 /nfs/dbraw/zinc/08/27/23/375082723.db2.gz LUWKUBBXGVRHFX-GFCCVEGCSA-N -1 0 309.366 -0.384 20 0 DBADRM CCN1CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C(=O)C1=O ZINC000262689024 375050255 /nfs/dbraw/zinc/05/02/55/375050255.db2.gz VPIMVURIQDVBGE-JTQLQIEISA-N -1 0 313.354 -0.707 20 0 DBADRM O=C(NCCN1CCS(=O)(=O)CC1)c1ccc(F)cc1[O-] ZINC000123415317 375058437 /nfs/dbraw/zinc/05/84/37/375058437.db2.gz OHEVORDIQXVINW-UHFFFAOYSA-N -1 0 316.354 -0.009 20 0 DBADRM C[C@@H](O[C@@H](C)C(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000634862156 375063226 /nfs/dbraw/zinc/06/32/26/375063226.db2.gz SJRNCQHKGGTBJD-VHSXEESVSA-N -1 0 302.327 -0.818 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)C[C@]1(C(=O)[O-])CCOC1 ZINC000634862366 375063869 /nfs/dbraw/zinc/06/38/69/375063869.db2.gz ZZLLTXNYQVDUGV-CQSZACIVSA-N -1 0 314.338 -0.815 20 0 DBADRM CC(C)CN1CCN(C(=O)NCCOCC(=O)[O-])CC1=O ZINC000635522651 375138038 /nfs/dbraw/zinc/13/80/38/375138038.db2.gz DHXWAENTLQDEIQ-UHFFFAOYSA-N -1 0 301.343 -0.403 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000635524379 375139718 /nfs/dbraw/zinc/13/97/18/375139718.db2.gz YGFBFJTVDMAZII-NSHDSACASA-N -1 0 313.354 -0.259 20 0 DBADRM CC(C)OC[C@@H]1CN(C(=O)NCCOCC(=O)[O-])CCO1 ZINC000635525182 375139782 /nfs/dbraw/zinc/13/97/82/375139782.db2.gz WIFSKMCGWGERHC-NSHDSACASA-N -1 0 304.343 -0.077 20 0 DBADRM C[C@H]1CN(C(=O)NCCOCC(=O)[O-])C[C@]2(CCOC2)O1 ZINC000635525050 375140019 /nfs/dbraw/zinc/14/00/19/375140019.db2.gz UNACEQSAIODORR-GWCFXTLKSA-N -1 0 302.327 -0.323 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000635524190 375140197 /nfs/dbraw/zinc/14/01/97/375140197.db2.gz WBFZLSXORNOYBV-WDEREUQCSA-N -1 0 302.327 -0.323 20 0 DBADRM CC(C)CN1CCN(C(=O)NCCOCC(=O)[O-])[C@H](C)C1=O ZINC000635525362 375141720 /nfs/dbraw/zinc/14/17/20/375141720.db2.gz WVFPRCVMKFMIFV-LLVKDONJSA-N -1 0 315.370 -0.014 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000635525420 375142812 /nfs/dbraw/zinc/14/28/12/375142812.db2.gz YEAQYJJLLTYQLY-ZDUSSCGKSA-N -1 0 302.327 -0.321 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000262784406 375144670 /nfs/dbraw/zinc/14/46/70/375144670.db2.gz MMBMHRIQXKEAEN-UHFFFAOYSA-N -1 0 313.354 -0.515 20 0 DBADRM C[C@@H]1C[C@@H](C)N(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000088685562 375166209 /nfs/dbraw/zinc/16/62/09/375166209.db2.gz PNSHSGNMUUQZDC-NXEZZACHSA-N -1 0 300.384 -0.045 20 0 DBADRM CN(C)c1nccc(N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000091580766 375172019 /nfs/dbraw/zinc/17/20/19/375172019.db2.gz XCHWDFRFLITGBF-UHFFFAOYSA-N -1 0 304.358 -0.724 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000261655418 375126894 /nfs/dbraw/zinc/12/68/94/375126894.db2.gz FRPNSOHFWBHEKO-NSHDSACASA-N -1 0 319.317 -0.308 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1 ZINC000145738964 375234448 /nfs/dbraw/zinc/23/44/48/375234448.db2.gz YWBMSLBDGARXTE-UHFFFAOYSA-N -1 0 300.336 -0.136 20 0 DBADRM CC[C@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000262818096 375187117 /nfs/dbraw/zinc/18/71/17/375187117.db2.gz VNIIECGOOXKSNZ-JTQLQIEISA-N -1 0 315.351 -0.319 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)N1CCCCCC1)C(=O)[O-] ZINC000214195030 375197849 /nfs/dbraw/zinc/19/78/49/375197849.db2.gz ZJEJMMFKWZBLFC-SECBINFHSA-N -1 0 308.356 -0.287 20 0 DBADRM CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1cncc(O)c1 ZINC000618308545 375211148 /nfs/dbraw/zinc/21/11/48/375211148.db2.gz NUVBRUJEBYUCGV-UHFFFAOYSA-N -1 0 308.382 -0.192 20 0 DBADRM COC(=O)c1cncc(S(=O)(=O)[N-]c2nc(OC)n[nH]2)c1 ZINC000569656135 375220551 /nfs/dbraw/zinc/22/05/51/375220551.db2.gz KPEMUEQXKBOWPL-UHFFFAOYSA-N -1 0 313.295 -0.204 20 0 DBADRM Cn1cc(N2CCN(C(=O)CCCc3nnn[n-]3)CC2)cn1 ZINC000635637012 375226670 /nfs/dbraw/zinc/22/66/70/375226670.db2.gz GQFXXILUCFHGTP-UHFFFAOYSA-N -1 0 304.358 -0.395 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC[C@H](N2CCOCC2)C1 ZINC000635975823 375292493 /nfs/dbraw/zinc/29/24/93/375292493.db2.gz OZBPKSMPSNDCHL-LBPRGKRZSA-N -1 0 308.386 -0.154 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000569744838 375308273 /nfs/dbraw/zinc/30/82/73/375308273.db2.gz QDPPNNVSBLSKQY-SNVBAGLBSA-N -1 0 301.320 -0.265 20 0 DBADRM CCn1nncc1CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000628268805 375335295 /nfs/dbraw/zinc/33/52/95/375335295.db2.gz CSGBMPMWXYLAOP-UHFFFAOYSA-N -1 0 324.366 -0.006 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)CC1CC(F)(F)C1)[C@H](C)O ZINC000570107799 375336418 /nfs/dbraw/zinc/33/64/18/375336418.db2.gz PTBCNWPFAUVQMT-POYBYMJQSA-N -1 0 301.311 -0.127 20 0 DBADRM CN(CC1(O)CCCC1)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000154000539 375349262 /nfs/dbraw/zinc/34/92/62/375349262.db2.gz YYSKBULDYGAJLM-UHFFFAOYSA-N -1 0 318.333 -0.012 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C3CCC3)C2)C1 ZINC000570674104 375382733 /nfs/dbraw/zinc/38/27/33/375382733.db2.gz YIEVSVBCRKZORH-VXGBXAGGSA-N -1 0 310.350 -0.053 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@H](CO)C(=O)[O-])CCCC1 ZINC000589542979 375458682 /nfs/dbraw/zinc/45/86/82/375458682.db2.gz VEANALOLFPPYON-MRVPVSSYSA-N -1 0 309.340 -0.915 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC000589546167 375459613 /nfs/dbraw/zinc/45/96/13/375459613.db2.gz BXJUWQUBOHYXPL-LDYMZIIASA-N -1 0 306.340 -0.867 20 0 DBADRM CCS(=O)(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000170306531 375404724 /nfs/dbraw/zinc/40/47/24/375404724.db2.gz WMXJOIGFTQBWIV-SECBINFHSA-N -1 0 304.368 -0.266 20 0 DBADRM CC(C)Cc1nc(=NC(=O)[C@@H]2CCS(=O)(=O)N2)s[n-]1 ZINC000618350221 375440426 /nfs/dbraw/zinc/44/04/26/375440426.db2.gz VQTMWLARXCZEGT-ZETCQYMHSA-N -1 0 304.397 -0.211 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000580196520 375447944 /nfs/dbraw/zinc/44/79/44/375447944.db2.gz PTAAMFBKLXIWHI-UWVGGRQHSA-N -1 0 314.338 -0.375 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(CC)CC(=O)[O-])C1 ZINC000216439734 375536406 /nfs/dbraw/zinc/53/64/06/375536406.db2.gz QDVLDCGJDVQHQF-SNVBAGLBSA-N -1 0 322.383 -0.087 20 0 DBADRM NC(=O)[C@]1(O)CCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000313867260 375487101 /nfs/dbraw/zinc/48/71/01/375487101.db2.gz KTDGEYUWCRFRRD-LBPRGKRZSA-N -1 0 304.224 -0.128 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2ccc(C(=O)[O-])cc2)c1=O ZINC000314081293 375491497 /nfs/dbraw/zinc/49/14/97/375491497.db2.gz FKQRWUKNVFNNFB-UHFFFAOYSA-N -1 0 303.274 -0.116 20 0 DBADRM CN(C(=O)[C@@H]1CCC[C@@H]1C(=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000314296055 375495651 /nfs/dbraw/zinc/49/56/51/375495651.db2.gz FTCZPCKBWHLWCQ-MXWKQRLJSA-N -1 0 318.395 -0.020 20 0 DBADRM CC(=O)NCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000013071400 375503271 /nfs/dbraw/zinc/50/32/71/375503271.db2.gz UAKPGFGYPAGJLH-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM O=C(NC[C@H]1CN2CCN1CC2)c1ccc2c(c1)C(=O)NC2=O ZINC000178975023 375515517 /nfs/dbraw/zinc/51/55/17/375515517.db2.gz LATSRONFPWXNKJ-NSHDSACASA-N -1 0 314.345 -0.700 20 0 DBADRM COC(=O)CCN1CCN(S(=O)(=O)c2ncc[n-]2)[C@H](C)C1 ZINC000601386651 375595508 /nfs/dbraw/zinc/59/55/08/375595508.db2.gz AFGMVEXWNFYAEH-SNVBAGLBSA-N -1 0 316.383 -0.332 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CCC[C@@H](C)[C@H]2C(=O)[O-])CC1 ZINC000318790588 375561846 /nfs/dbraw/zinc/56/18/46/375561846.db2.gz QFOVXMHYPHZRBI-RISCZKNCSA-N -1 0 311.382 -0.138 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2ccc(F)cc2)CCO1 ZINC000643150772 375612671 /nfs/dbraw/zinc/61/26/71/375612671.db2.gz ZZVLFWFJLKHWDS-LBPRGKRZSA-N -1 0 324.308 -0.204 20 0 DBADRM COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)C[C@H]1CCC1(F)F ZINC000601438037 375612864 /nfs/dbraw/zinc/61/28/64/375612864.db2.gz XZQIOTBTELAGKB-VXNVDRBHSA-N -1 0 301.311 -0.125 20 0 DBADRM Cc1ccccc1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643151736 375616770 /nfs/dbraw/zinc/61/67/70/375616770.db2.gz VOMWUZYQNZSFSH-GFCCVEGCSA-N -1 0 306.318 -0.077 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC000643153762 375625719 /nfs/dbraw/zinc/62/57/19/375625719.db2.gz WHTQTIUIZWYRCK-JTQLQIEISA-N -1 0 312.347 -0.015 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCS2)CCO1 ZINC000643163901 375650200 /nfs/dbraw/zinc/65/02/00/375650200.db2.gz YCHIJRPLDHBSQE-IUCAKERBSA-N -1 0 302.352 -0.690 20 0 DBADRM CC(=O)N[C@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)C1CCCC1 ZINC000364528253 375651111 /nfs/dbraw/zinc/65/11/11/375651111.db2.gz GKWNZQMTGJDGJK-NEPJUHHUSA-N -1 0 322.369 -0.206 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]OC[C@H]2CCOC2)C1=O ZINC000364542175 375651592 /nfs/dbraw/zinc/65/15/92/375651592.db2.gz IZRJDMXZJDFDCU-LKFCYVNXSA-N -1 0 311.338 -0.209 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCO[C@H](CF)C2)c1 ZINC000616255219 375654105 /nfs/dbraw/zinc/65/41/05/375654105.db2.gz ZPWXNEFSVMTBSB-MRVPVSSYSA-N -1 0 318.326 -0.150 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C(C)C ZINC000643167220 375667442 /nfs/dbraw/zinc/66/74/42/375667442.db2.gz WRJVZXPKAFCFQK-VHSXEESVSA-N -1 0 302.327 -0.914 20 0 DBADRM C[NH+]1CCC(CNC(=O)c2cc(=O)[nH][n-]2)(N2CCOCC2)CC1 ZINC000616257410 375677529 /nfs/dbraw/zinc/67/75/29/375677529.db2.gz NLVSZWMSWZWLJE-UHFFFAOYSA-N -1 0 323.397 -0.358 20 0 DBADRM CC[C@@H](CSC)N(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591569843 375719790 /nfs/dbraw/zinc/71/97/90/375719790.db2.gz VBGWKDNPHOZQQA-UWVGGRQHSA-N -1 0 318.395 -0.102 20 0 DBADRM COCC1(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCC1 ZINC000643169862 375701109 /nfs/dbraw/zinc/70/11/09/375701109.db2.gz OAILKNLFCKQOEI-SNVBAGLBSA-N -1 0 314.338 -0.769 20 0 DBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)C[C@@H](OC)C(C)C)n1 ZINC000592382602 375797012 /nfs/dbraw/zinc/79/70/12/375797012.db2.gz QUBYIKKHHKBRQO-SECBINFHSA-N -1 0 320.371 -0.136 20 0 DBADRM C[C@H](CSCCNC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000592448910 375804064 /nfs/dbraw/zinc/80/40/64/375804064.db2.gz GAXUGKNMYXBFDC-SECBINFHSA-N -1 0 324.424 -0.120 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000592457506 375804097 /nfs/dbraw/zinc/80/40/97/375804097.db2.gz CWDSDQGGKBRLCF-VHSXEESVSA-N -1 0 322.383 -0.231 20 0 DBADRM C[C@H](CSCCNS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000592449180 375804255 /nfs/dbraw/zinc/80/42/55/375804255.db2.gz RNEWKDXTACAJGX-SECBINFHSA-N -1 0 312.413 -0.393 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)CSCC(=O)[O-] ZINC000592952405 375837613 /nfs/dbraw/zinc/83/76/13/375837613.db2.gz FYEYAFJKDJZBRD-UHFFFAOYSA-N -1 0 310.397 -0.702 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCOC[C@H]1C(=O)[O-])C(=O)OC ZINC000592988550 375841371 /nfs/dbraw/zinc/84/13/71/375841371.db2.gz IBHCCIWSSWTYSF-JBLDHEPKSA-N -1 0 316.354 -0.524 20 0 DBADRM CCOC(=O)c1cnn(C)c1NC(=O)CN(C)[C@H](C)C(=O)[O-] ZINC000592988911 375841978 /nfs/dbraw/zinc/84/19/78/375841978.db2.gz VAXBXZZHKJJGSA-MRVPVSSYSA-N -1 0 312.326 -0.060 20 0 DBADRM CSCC[C@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000593250805 375853390 /nfs/dbraw/zinc/85/33/90/375853390.db2.gz DWPVWBVRRMUIEV-YUMQZZPRSA-N -1 0 312.413 -0.411 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC1([C@H](C)C(=O)[O-])CC1 ZINC000593274588 375853868 /nfs/dbraw/zinc/85/38/68/375853868.db2.gz UCEIWHWJEIAOSE-MRVPVSSYSA-N -1 0 308.356 -0.431 20 0 DBADRM COC(=O)c1cn(CCNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)nn1 ZINC000593926158 375896845 /nfs/dbraw/zinc/89/68/45/375896845.db2.gz XKFFDIHPCGGQCF-CQSZACIVSA-N -1 0 322.321 -0.008 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)C(=O)N2CCC[C@@H](O)C2)c1 ZINC000643179355 375905175 /nfs/dbraw/zinc/90/51/75/375905175.db2.gz AJUZPMJLJCLYJX-GFCCVEGCSA-N -1 0 306.318 -0.016 20 0 DBADRM CC(C)(C)OC(=O)[C@@]1([N-]S(=O)(=O)C2COC2)CCOC1 ZINC000594842002 375957433 /nfs/dbraw/zinc/95/74/33/375957433.db2.gz JBQRNSYVTHPZFV-GFCCVEGCSA-N -1 0 307.368 -0.195 20 0 DBADRM CCOC(=O)Cn1ccc([N-]S(=O)(=O)CCC(=O)OC)n1 ZINC000594465294 375928252 /nfs/dbraw/zinc/92/82/52/375928252.db2.gz AZZCJUCIYAZBMB-UHFFFAOYSA-N -1 0 319.339 -0.249 20 0 DBADRM CCOC(=O)Cn1ccc(=NC(=O)Cc2n[n-]c(=NC)s2)[nH]1 ZINC000594420655 375928501 /nfs/dbraw/zinc/92/85/01/375928501.db2.gz MSGDTVNWDQSJAI-UHFFFAOYSA-N -1 0 324.366 -0.636 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@](C)(CO)OC ZINC000594486376 375933052 /nfs/dbraw/zinc/93/30/52/375933052.db2.gz YNGSFEYNTZWBFT-SNVBAGLBSA-N -1 0 324.380 -0.395 20 0 DBADRM COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000594544920 375933867 /nfs/dbraw/zinc/93/38/67/375933867.db2.gz OUWCHMWLASBQJF-XPTSAGLGSA-N -1 0 314.338 -0.375 20 0 DBADRM COC(=O)C1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000594544538 375934005 /nfs/dbraw/zinc/93/40/05/375934005.db2.gz MDFFBPAKWUWEAN-MRVPVSSYSA-N -1 0 300.311 -0.765 20 0 DBADRM CCOC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000594544399 375934250 /nfs/dbraw/zinc/93/42/50/375934250.db2.gz KJAADRPCCMLTHD-UWVGGRQHSA-N -1 0 314.338 -0.375 20 0 DBADRM CCOC(=O)CC[C@@H](C)NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000594529120 375935580 /nfs/dbraw/zinc/93/55/80/375935580.db2.gz GBLMYDVATFLVCT-DTWKUNHWSA-N -1 0 302.327 -0.329 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)NCc1nocc1C(=O)[O-] ZINC000594571936 375936037 /nfs/dbraw/zinc/93/60/37/375936037.db2.gz GIWCAWJDNNKPRO-UHFFFAOYSA-N -1 0 320.323 -0.009 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000594529818 375936053 /nfs/dbraw/zinc/93/60/53/375936053.db2.gz MGXWZQROPCVJKC-RKDXNWHRSA-N -1 0 302.327 -0.473 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000594530316 375936328 /nfs/dbraw/zinc/93/63/28/375936328.db2.gz QKFCYKRDQPHNNY-BBBLOLIVSA-N -1 0 314.338 -0.329 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000594530081 375936352 /nfs/dbraw/zinc/93/63/52/375936352.db2.gz QKFCYKRDQPHNNY-AEJSXWLSSA-N -1 0 314.338 -0.329 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NCc1nocc1C(=O)[O-] ZINC000594572327 375937420 /nfs/dbraw/zinc/93/74/20/375937420.db2.gz ZMRHPHWEODLDSP-ZCFIWIBFSA-N -1 0 306.296 -0.399 20 0 DBADRM COCCN(C)S(=O)(=O)N(CCSC)CC(=O)[O-] ZINC000594670608 375939119 /nfs/dbraw/zinc/93/91/19/375939119.db2.gz GCIQFISSYUMNCS-UHFFFAOYSA-N -1 0 300.402 -0.441 20 0 DBADRM COC(=O)CCCCCS(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000594683981 375941056 /nfs/dbraw/zinc/94/10/56/375941056.db2.gz OKSUNOWJDAROHQ-SNVBAGLBSA-N -1 0 323.367 -0.165 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000594682951 375942214 /nfs/dbraw/zinc/94/22/14/375942214.db2.gz IDVGBCPQBYATPB-KBVBSXBZSA-N -1 0 321.351 -0.842 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@H](OC)C1CCCC1 ZINC000594768946 375949108 /nfs/dbraw/zinc/94/91/08/375949108.db2.gz YXUHWIZCHKGXEE-MNOVXSKESA-N -1 0 309.384 -0.355 20 0 DBADRM O=C([O-])[C@H]1COCCN1CC(=O)NC(=O)NCC(F)(F)F ZINC000595884499 376040647 /nfs/dbraw/zinc/04/06/47/376040647.db2.gz GXOQYSRDXQJNBY-ZCFIWIBFSA-N -1 0 313.232 -0.840 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595260777 375982522 /nfs/dbraw/zinc/98/25/22/375982522.db2.gz KUGAMNDNYOCYND-HNQTXHRGSA-N -1 0 304.368 -0.504 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000596027070 376066245 /nfs/dbraw/zinc/06/62/45/376066245.db2.gz PCAQVNRRXIBWLK-JTQLQIEISA-N -1 0 322.383 -0.183 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1C[C@@H]2C[C@@]1(C(=O)[O-])[C@@H]2C ZINC000596037466 376066611 /nfs/dbraw/zinc/06/66/11/376066611.db2.gz DMRRUFCZFQOPTN-XBWDGYHZSA-N -1 0 305.352 -0.080 20 0 DBADRM COC(=O)C1(CNC(=O)[C@@](C)(OC)C(=O)[O-])CCOCC1 ZINC000595998924 376066911 /nfs/dbraw/zinc/06/69/11/376066911.db2.gz HFVRPBGUXODTMR-GFCCVEGCSA-N -1 0 303.311 -0.438 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1C[C@@H]2C[C@@]1(C(=O)[O-])[C@@H]2C ZINC000596037463 376066974 /nfs/dbraw/zinc/06/69/74/376066974.db2.gz DMRRUFCZFQOPTN-NHRVJRKFSA-N -1 0 305.352 -0.080 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(=O)n(C)[n-]1 ZINC000597580644 376150362 /nfs/dbraw/zinc/15/03/62/376150362.db2.gz GBNMMRKBFVUTQD-YUMQZZPRSA-N -1 0 312.326 -0.688 20 0 DBADRM Cn1cc(C[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C2)cn1 ZINC000531440038 376158493 /nfs/dbraw/zinc/15/84/93/376158493.db2.gz LEPYDCRRJSXAMD-SNVBAGLBSA-N -1 0 317.349 -0.076 20 0 DBADRM COC(=O)[C@H](CF)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597654634 376160271 /nfs/dbraw/zinc/16/02/71/376160271.db2.gz BILLXSMTGDMONZ-QMMMGPOBSA-N -1 0 320.298 -0.720 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000054334037 376211294 /nfs/dbraw/zinc/21/12/94/376211294.db2.gz VIBXRLCAYLHBHF-ZETCQYMHSA-N -1 0 322.364 -0.667 20 0 DBADRM C[C@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000054334038 376211698 /nfs/dbraw/zinc/21/16/98/376211698.db2.gz VIBXRLCAYLHBHF-SSDOTTSWSA-N -1 0 322.364 -0.667 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CCF)C(=O)OC)on1 ZINC000599339583 376279966 /nfs/dbraw/zinc/27/99/66/376279966.db2.gz MRIJUSQIXNOOHD-LURJTMIESA-N -1 0 324.286 -0.359 20 0 DBADRM CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599320777 376281586 /nfs/dbraw/zinc/28/15/86/376281586.db2.gz GBRFLBDVFQQVLC-LURJTMIESA-N -1 0 305.312 -0.736 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@](C)(O)CSC)on1 ZINC000599244079 376256455 /nfs/dbraw/zinc/25/64/55/376256455.db2.gz YKAXDXNFBYCKMU-SNVBAGLBSA-N -1 0 324.380 -0.147 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CCO)CSC)on1 ZINC000599245098 376258354 /nfs/dbraw/zinc/25/83/54/376258354.db2.gz PXEYBMKCQCCMFU-SSDOTTSWSA-N -1 0 324.380 -0.147 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@H](OCC)C1CC1 ZINC000599283555 376263375 /nfs/dbraw/zinc/26/33/75/376263375.db2.gz YPPSHEBKWUGNLO-MNOVXSKESA-N -1 0 309.384 -0.355 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)CCOC1 ZINC000599256685 376264471 /nfs/dbraw/zinc/26/44/71/376264471.db2.gz CLAFLBCUEWOZDS-JOYOIKCWSA-N -1 0 307.368 -0.195 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)[C@H]2COC(C)(C)C2)CCOC1 ZINC000599256683 376265059 /nfs/dbraw/zinc/26/50/59/376265059.db2.gz CLAFLBCUEWOZDS-BXKDBHETSA-N -1 0 307.368 -0.195 20 0 DBADRM CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599260013 376266492 /nfs/dbraw/zinc/26/64/92/376266492.db2.gz ZKFXLFMNVJEYQV-ZETCQYMHSA-N -1 0 320.323 -0.061 20 0 DBADRM CCO[C@H](CS(=O)(=O)[N-][C@H](COC)C(=O)OC)C1CC1 ZINC000599273939 376269136 /nfs/dbraw/zinc/26/91/36/376269136.db2.gz KPUDRRKTNHRMGA-GHMZBOCLSA-N -1 0 309.384 -0.091 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC2(CCO)CC2)on1 ZINC000599281267 376269745 /nfs/dbraw/zinc/26/97/45/376269745.db2.gz QQOUVXBHXGDKRG-UHFFFAOYSA-N -1 0 304.324 -0.098 20 0 DBADRM COCC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599298399 376270525 /nfs/dbraw/zinc/27/05/25/376270525.db2.gz RVGBEEBPHHVBFQ-ZETCQYMHSA-N -1 0 308.312 -0.863 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2ncnn2C)on1 ZINC000599289420 376275917 /nfs/dbraw/zinc/27/59/17/376275917.db2.gz TXILEPFIFNGKML-ZCFIWIBFSA-N -1 0 315.311 -0.371 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)C2CCC2)on1 ZINC000599337790 376277204 /nfs/dbraw/zinc/27/72/04/376277204.db2.gz IGTPJVNBSDOZPA-SECBINFHSA-N -1 0 304.324 -0.100 20 0 DBADRM O=C(CNC(=O)C1CC1)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000618487785 376339863 /nfs/dbraw/zinc/33/98/63/376339863.db2.gz FFSQFSXOQVXWIR-LBPRGKRZSA-N -1 0 300.322 -0.069 20 0 DBADRM O=C(CNC(=O)C1CC1)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000618487784 376340252 /nfs/dbraw/zinc/34/02/52/376340252.db2.gz FFSQFSXOQVXWIR-GFCCVEGCSA-N -1 0 300.322 -0.069 20 0 DBADRM CCOc1ccccc1C(=O)NCC(=O)NCc1nnn[n-]1 ZINC000599334275 376283536 /nfs/dbraw/zinc/28/35/36/376283536.db2.gz JMDKKIZGIZEEPX-UHFFFAOYSA-N -1 0 304.310 -0.355 20 0 DBADRM C[C@@H](S[C@H](C)C(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000601991317 376402559 /nfs/dbraw/zinc/40/25/59/376402559.db2.gz FEQBSHPMPRHICV-NXEZZACHSA-N -1 0 318.395 -0.102 20 0 DBADRM CCNC(=O)CCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000600045376 376360699 /nfs/dbraw/zinc/36/06/99/376360699.db2.gz SXKNDDPFOHLHLW-UHFFFAOYSA-N -1 0 321.384 -0.236 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@H]2CCCOCC2)CCS1(=O)=O ZINC000333552561 304196944 /nfs/dbraw/zinc/19/69/44/304196944.db2.gz JRLGSCYETNLJOF-VHSXEESVSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)c[nH]1 ZINC000069142211 376552401 /nfs/dbraw/zinc/55/24/01/376552401.db2.gz RIKMPSWNYUVMST-ZETCQYMHSA-N -1 0 322.364 -0.432 20 0 DBADRM O=C([O-])C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000354985185 376528524 /nfs/dbraw/zinc/52/85/24/376528524.db2.gz RUBRDHKEVBHYBW-UHFFFAOYSA-N -1 0 308.262 -0.556 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)CCOC1 ZINC000603290482 376537864 /nfs/dbraw/zinc/53/78/64/376537864.db2.gz BFRUNUYSIFUHLL-XNDJQWLSSA-N -1 0 305.352 -0.442 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)[C@H]2CCOC[C@H]2C)CCOC1 ZINC000603293987 376540726 /nfs/dbraw/zinc/54/07/26/376540726.db2.gz NURHHGXQZKOXDM-SCVCMEIPSA-N -1 0 307.368 -0.337 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@]1(C)CC1(F)F ZINC000603300769 376543529 /nfs/dbraw/zinc/54/35/29/376543529.db2.gz SBURBNKJXBOTAT-CBAPKCEASA-N -1 0 301.311 -0.125 20 0 DBADRM CC[C@](COC)([N-]S(=O)(=O)CCn1ccnc1)C(=O)OC ZINC000603358961 376545029 /nfs/dbraw/zinc/54/50/29/376545029.db2.gz PILPEBOKDJJLEU-GFCCVEGCSA-N -1 0 319.383 -0.229 20 0 DBADRM C[C@H](C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1)S(C)(=O)=O ZINC000604082160 376598132 /nfs/dbraw/zinc/59/81/32/376598132.db2.gz UCJWLUOUHBWQRI-PSASIEDQSA-N -1 0 309.351 -0.162 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N2CC(C(=O)[O-])C2)CC1 ZINC000071173316 376606386 /nfs/dbraw/zinc/60/63/86/376606386.db2.gz OAKMZXGDONVRKP-UHFFFAOYSA-N -1 0 306.340 -0.867 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000603626010 376568625 /nfs/dbraw/zinc/56/86/25/376568625.db2.gz HYNGHWZDWJKRJQ-JTQLQIEISA-N -1 0 321.289 -0.717 20 0 DBADRM N#Cc1cncc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)c1 ZINC000315167045 376667387 /nfs/dbraw/zinc/66/73/87/376667387.db2.gz RPJAGTICCZLWMX-UHFFFAOYSA-N -1 0 311.319 -0.135 20 0 DBADRM CN(C(=O)NCCNS(C)(=O)=O)C1(C(=O)[O-])CCCCC1 ZINC000313974800 376642833 /nfs/dbraw/zinc/64/28/33/376642833.db2.gz ABSMRWGRHHMTEX-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1cnn(C)c1 ZINC000313994935 376643507 /nfs/dbraw/zinc/64/35/07/376643507.db2.gz SAUKCXXMFYDFPN-QMMMGPOBSA-N -1 0 313.339 -0.259 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2)cc1C(=O)[O-] ZINC000314874057 376651367 /nfs/dbraw/zinc/65/13/67/376651367.db2.gz GDEGFZJTYAKYMT-MRVPVSSYSA-N -1 0 315.351 -0.285 20 0 DBADRM CC1(C)Oc2ccc(NC(=O)C(=O)NCc3nnn[n-]3)cc2O1 ZINC000606116387 376726567 /nfs/dbraw/zinc/72/65/67/376726567.db2.gz XWGHKBQSNGVMHB-UHFFFAOYSA-N -1 0 318.293 -0.038 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2nnn[n-]2)c2ccccc2O1 ZINC000606116992 376727812 /nfs/dbraw/zinc/72/78/12/376727812.db2.gz JBCRKKFDAONDOM-QMMMGPOBSA-N -1 0 302.294 -0.370 20 0 DBADRM COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)NCc1nnn[n-]1 ZINC000609493483 376782916 /nfs/dbraw/zinc/78/29/16/376782916.db2.gz IGNPLBDMWOMYQM-UHFFFAOYSA-N -1 0 320.309 -0.316 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000319957603 376786017 /nfs/dbraw/zinc/78/60/17/376786017.db2.gz IJBZTRAVPAYITR-NSHDSACASA-N -1 0 317.301 -0.239 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N1CCC[C@@H]1C(=O)[O-])n1cccn1 ZINC000262108732 376768679 /nfs/dbraw/zinc/76/86/79/376768679.db2.gz KEFTWZGFIQZOBC-GHMZBOCLSA-N -1 0 308.338 -0.022 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CS(=O)(=O)C1CCCC1 ZINC000262536442 304199544 /nfs/dbraw/zinc/19/95/44/304199544.db2.gz UHIIQLYMEGZGIW-SNVBAGLBSA-N -1 0 305.352 -0.344 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1C(N)=O ZINC000062924724 376809141 /nfs/dbraw/zinc/80/91/41/376809141.db2.gz SXNDOIHVTNUGSH-LBPRGKRZSA-N -1 0 315.351 -0.391 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1csc(S(N)(=O)=O)c1 ZINC000262361545 376811832 /nfs/dbraw/zinc/81/18/32/376811832.db2.gz DDVHQWGWOOSPNX-UHFFFAOYSA-N -1 0 322.364 -0.431 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])s1 ZINC000230022085 376846340 /nfs/dbraw/zinc/84/63/40/376846340.db2.gz PQPIRTHDVGEGFI-ZCFIWIBFSA-N -1 0 307.353 -0.551 20 0 DBADRM C[C@H](NC(=O)CNC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000262478261 376950587 /nfs/dbraw/zinc/95/05/87/376950587.db2.gz CVSSKTOWXKUHHK-ZETCQYMHSA-N -1 0 311.319 -0.686 20 0 DBADRM C[C@@H](CNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)C(=O)[O-] ZINC000262478247 376951854 /nfs/dbraw/zinc/95/18/54/376951854.db2.gz CVKGSZXJRUBZOB-VIFPVBQESA-N -1 0 319.317 -0.083 20 0 DBADRM C[C@H](CNC(=O)CNS(=O)(=O)c1cccs1)C(=O)[O-] ZINC000262489595 376962953 /nfs/dbraw/zinc/96/29/53/376962953.db2.gz FZCOXRKUIRVFFI-SSDOTTSWSA-N -1 0 306.365 -0.137 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000262567324 377029264 /nfs/dbraw/zinc/02/92/64/377029264.db2.gz BSQBHVZOTMCHGK-UHFFFAOYSA-N -1 0 322.289 -0.166 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000262591010 377033417 /nfs/dbraw/zinc/03/34/17/377033417.db2.gz HSIHGZSYGCWLRL-QWRGUYRKSA-N -1 0 319.317 -0.208 20 0 DBADRM CCS(=O)(=O)NCC(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000338915201 376993976 /nfs/dbraw/zinc/99/39/76/376993976.db2.gz OORPBMNNXFESBO-LURJTMIESA-N -1 0 308.385 -0.455 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)[C@H](O)Cc2cnn(C)c2)s[n-]1 ZINC000338931047 376996375 /nfs/dbraw/zinc/99/63/75/376996375.db2.gz YNZXVICWMIWYPT-VXNVDRBHSA-N -1 0 311.367 -0.057 20 0 DBADRM COC(=O)C[C@H]1COCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000366210885 376998414 /nfs/dbraw/zinc/99/84/14/376998414.db2.gz DGWRWPKQEQLUKN-ZETCQYMHSA-N -1 0 316.339 -0.607 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCn1ncnn1 ZINC000338958790 376998489 /nfs/dbraw/zinc/99/84/89/376998489.db2.gz AZNIAMOCEZMNND-UHFFFAOYSA-N -1 0 310.339 -0.525 20 0 DBADRM CC[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)[O-] ZINC000263049219 377109330 /nfs/dbraw/zinc/10/93/30/377109330.db2.gz WURKOGWCOJMSER-VIFPVBQESA-N -1 0 313.335 -0.537 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NC(C)(C)C(=O)[O-])cn1C ZINC000040910474 377081687 /nfs/dbraw/zinc/08/16/87/377081687.db2.gz GYZCDZLLBOQAOG-UHFFFAOYSA-N -1 0 303.340 -0.474 20 0 DBADRM Cc1oc(CNC(=O)CN(C)S(C)(=O)=O)cc1C(=O)[O-] ZINC000262926817 377103868 /nfs/dbraw/zinc/10/38/68/377103868.db2.gz FURZFLKURRJUQS-UHFFFAOYSA-N -1 0 304.324 -0.206 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CCC(=O)[O-] ZINC000262928006 377103967 /nfs/dbraw/zinc/10/39/67/377103967.db2.gz WYWOZJPWNQQAQP-QMMMGPOBSA-N -1 0 318.355 -0.980 20 0 DBADRM O=C(COc1ccccc1)NCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262905378 377104031 /nfs/dbraw/zinc/10/40/31/377104031.db2.gz QYAJWQJVPRUSJR-GFCCVEGCSA-N -1 0 322.317 -0.506 20 0 DBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC1(C(=O)[O-])CC1 ZINC000263146098 377125374 /nfs/dbraw/zinc/12/53/74/377125374.db2.gz KUZAHTKZNXJHNX-UHFFFAOYSA-N -1 0 303.274 -0.165 20 0 DBADRM CC[C@H](NC(=O)CNS(=O)(=O)CCOC(C)C)C(=O)[O-] ZINC000262975939 377106547 /nfs/dbraw/zinc/10/65/47/377106547.db2.gz MIJMCFLHFQMKKM-VIFPVBQESA-N -1 0 310.372 -0.690 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC[C@@H](C)O ZINC000339938894 377158994 /nfs/dbraw/zinc/15/89/94/377158994.db2.gz KARIFHSXSUDFKH-APPZFPTMSA-N -1 0 319.383 -0.155 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCSCC(=O)[O-] ZINC000389448460 377211913 /nfs/dbraw/zinc/21/19/13/377211913.db2.gz QBLUNQDLABIPEE-MRVPVSSYSA-N -1 0 310.397 -0.656 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)NCCCC(=O)[O-])CC1 ZINC000571400443 377216903 /nfs/dbraw/zinc/21/69/03/377216903.db2.gz OKMBNFZHJGXYOE-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000571404173 377219907 /nfs/dbraw/zinc/21/99/07/377219907.db2.gz QTHYOCMUJKHWJD-RFAUZJTJSA-N -1 0 322.317 -0.021 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000262207352 377267555 /nfs/dbraw/zinc/26/75/55/377267555.db2.gz STVXNHZRFJNLNR-WDEREUQCSA-N -1 0 322.365 -0.002 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)NCC(=O)[O-])cc1 ZINC000571431941 377224919 /nfs/dbraw/zinc/22/49/19/377224919.db2.gz UMAIWSLHCZLQFZ-UHFFFAOYSA-N -1 0 315.351 -0.179 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)CNC(=O)Cc2cccc(F)c2)CCOC1 ZINC000262185177 377267816 /nfs/dbraw/zinc/26/78/16/377267816.db2.gz PESGGSWLQWKBCK-OAHLLOKOSA-N -1 0 324.308 -0.156 20 0 DBADRM CCCN(CC1CC1)S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000340043921 377227333 /nfs/dbraw/zinc/22/73/33/377227333.db2.gz CIVMYJOPHAXTPI-UHFFFAOYSA-N -1 0 304.372 -0.138 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cnn(C)c1C)C(=O)[O-] ZINC000291865448 377231992 /nfs/dbraw/zinc/23/19/92/377231992.db2.gz KMAFKWWEQPXNGO-MRVPVSSYSA-N -1 0 319.339 -0.587 20 0 DBADRM CCCC[C@H](NC(=O)CN1CCN(CC)C(=O)C1=O)C(=O)[O-] ZINC000262234663 377268442 /nfs/dbraw/zinc/26/84/42/377268442.db2.gz AFZHIEAETHIYNE-JTQLQIEISA-N -1 0 313.354 -0.563 20 0 DBADRM CC(=O)NCCN(C(=O)CN1CCSC1=O)[C@@H](C)C(=O)[O-] ZINC000262295265 377269274 /nfs/dbraw/zinc/26/92/74/377269274.db2.gz ZLBSOKYZOWJHGS-QMMMGPOBSA-N -1 0 317.367 -0.407 20 0 DBADRM COC(=O)[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)CC1CC1 ZINC000571531350 377252191 /nfs/dbraw/zinc/25/21/91/377252191.db2.gz KLUNMCJSEQRSBW-SECBINFHSA-N -1 0 309.322 -0.195 20 0 DBADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000261714418 377258370 /nfs/dbraw/zinc/25/83/70/377258370.db2.gz PYXWZCHSCCKBLK-BDAKNGLRSA-N -1 0 303.340 -0.062 20 0 DBADRM CN(CC(=O)N(CC(=O)[O-])c1ccccc1)S(C)(=O)=O ZINC000261826202 377261749 /nfs/dbraw/zinc/26/17/49/377261749.db2.gz YIAFMOZOPQKGER-UHFFFAOYSA-N -1 0 300.336 -0.004 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000261867782 377262195 /nfs/dbraw/zinc/26/21/95/377262195.db2.gz OCHPLUNTOSFUAC-UHFFFAOYSA-N -1 0 308.337 -0.810 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000262032955 377264661 /nfs/dbraw/zinc/26/46/61/377264661.db2.gz BGMBERQAAFSICV-UFBFGSQYSA-N -1 0 302.352 -0.342 20 0 DBADRM COCCNC(=O)c1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000262138574 377264898 /nfs/dbraw/zinc/26/48/98/377264898.db2.gz PGFOSXLSUGAANH-UHFFFAOYSA-N -1 0 316.335 -0.574 20 0 DBADRM O=C(CN1C(=O)COc2ccccc21)N[C@]1(C(=O)[O-])CCOC1 ZINC000262126139 377265815 /nfs/dbraw/zinc/26/58/15/377265815.db2.gz PYGYCFUOSAAHES-OAHLLOKOSA-N -1 0 320.301 -0.228 20 0 DBADRM COC[C@@](C)(NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000262078464 377265887 /nfs/dbraw/zinc/26/58/87/377265887.db2.gz JWOAOZQPXVFZEO-OAHLLOKOSA-N -1 0 320.301 -0.112 20 0 DBADRM CC1(C)C(=O)NCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000264639275 377325484 /nfs/dbraw/zinc/32/54/84/377325484.db2.gz DGPCFWSGTHZROI-UHFFFAOYSA-N -1 0 317.305 -0.213 20 0 DBADRM COCCN(CC(=O)[O-])c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000262259052 377270934 /nfs/dbraw/zinc/27/09/34/377270934.db2.gz FSRZHQIUDIOLJK-UHFFFAOYSA-N -1 0 314.342 -0.276 20 0 DBADRM CCC[C@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000262285806 377271069 /nfs/dbraw/zinc/27/10/69/377271069.db2.gz MFJQCNHPUXBWSH-VIFPVBQESA-N -1 0 318.355 -0.710 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000262376489 377273619 /nfs/dbraw/zinc/27/36/19/377273619.db2.gz NFRKXSNBDZJLSF-UHFFFAOYSA-N -1 0 318.355 -0.978 20 0 DBADRM CO[C@H](CNC(=O)CNS(=O)(=O)c1cccs1)C(=O)[O-] ZINC000262727255 377278342 /nfs/dbraw/zinc/27/83/42/377278342.db2.gz BCKHMOHQWHXJFF-SSDOTTSWSA-N -1 0 322.364 -0.758 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCC(=O)[O-])c(OC)c1 ZINC000262617813 377278362 /nfs/dbraw/zinc/27/83/62/377278362.db2.gz ZTUDKYVUAUOMKV-UHFFFAOYSA-N -1 0 303.292 -0.155 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000262661798 377278436 /nfs/dbraw/zinc/27/84/36/377278436.db2.gz LYEHJWDKZBHCMQ-QMMMGPOBSA-N -1 0 304.310 -0.126 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cn1 ZINC000262971773 377281884 /nfs/dbraw/zinc/28/18/84/377281884.db2.gz PUBOLPYVVYICIG-LDYMZIIASA-N -1 0 307.306 -0.245 20 0 DBADRM CO[C@H](CNC(=O)Cn1cnc2ccccc2c1=O)C(=O)[O-] ZINC000262873974 377281922 /nfs/dbraw/zinc/28/19/22/377281922.db2.gz JWYWLIGGFMRQKV-LLVKDONJSA-N -1 0 305.290 -0.388 20 0 DBADRM CCCN(C)S(=O)(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000268776941 377376747 /nfs/dbraw/zinc/37/67/47/377376747.db2.gz OEFCLVYVRZIWBR-UHFFFAOYSA-N -1 0 303.388 -0.030 20 0 DBADRM Cn1cc(/C=C/C(=O)NCCCCCC(=O)[O-])c(=O)n(C)c1=O ZINC000268973355 377378880 /nfs/dbraw/zinc/37/88/80/377378880.db2.gz ILINVEJVQROPRP-BQYQJAHWSA-N -1 0 323.349 -0.142 20 0 DBADRM COc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC000268921670 377379261 /nfs/dbraw/zinc/37/92/61/377379261.db2.gz SWJCSXWUVRZTFR-NXEZZACHSA-N -1 0 306.322 -0.146 20 0 DBADRM Cc1cc(=O)[nH]c([C@H](C)N2CCN(S(N)(=O)=O)CC2)n1 ZINC000268414415 377355353 /nfs/dbraw/zinc/35/53/53/377355353.db2.gz PFDHZHRUHBKQGP-VIFPVBQESA-N -1 0 301.372 -0.627 20 0 DBADRM CC(C)(O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269775747 377421172 /nfs/dbraw/zinc/42/11/72/377421172.db2.gz IXQWPGLCNWHVBU-UHFFFAOYSA-N -1 0 314.323 -0.515 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269732452 377418641 /nfs/dbraw/zinc/41/86/41/377418641.db2.gz WKRHCXMTVOVPQG-UHFFFAOYSA-N -1 0 319.321 -0.062 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(C)C[C@H](O)CO ZINC000271292460 377491409 /nfs/dbraw/zinc/49/14/09/377491409.db2.gz QPMJINUKARNSIP-BDAKNGLRSA-N -1 0 322.408 -0.774 20 0 DBADRM NC(=O)CO[N-]C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000271342986 377494810 /nfs/dbraw/zinc/49/48/10/377494810.db2.gz CVDDNYOMQKLKHH-UHFFFAOYSA-N -1 0 307.306 -0.275 20 0 DBADRM NC(=O)CO[N-]C(=O)CSc1nnnn1C1CCCC1 ZINC000271409401 377496819 /nfs/dbraw/zinc/49/68/19/377496819.db2.gz OBNFJFZNBIFELQ-UHFFFAOYSA-N -1 0 300.344 -0.587 20 0 DBADRM NC(=O)CO[N-]C(=O)COc1cccc(N2CCCC2=O)c1 ZINC000271411234 377497524 /nfs/dbraw/zinc/49/75/24/377497524.db2.gz OMURJTAPHVVVSE-UHFFFAOYSA-N -1 0 307.306 -0.275 20 0 DBADRM CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)[N-]OCC(N)=O ZINC000271473528 377499589 /nfs/dbraw/zinc/49/95/89/377499589.db2.gz ZGLWSWOOQXWSBA-CQSZACIVSA-N -1 0 307.350 -0.097 20 0 DBADRM C[C@H](CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)CC(=O)[O-] ZINC000271979342 377515598 /nfs/dbraw/zinc/51/55/98/377515598.db2.gz VFJDDJPULMOGBP-MOVJSRMASA-N -1 0 309.322 -0.676 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])nc1Cl ZINC000275161432 377532700 /nfs/dbraw/zinc/53/27/00/377532700.db2.gz UBRHKDVZPHTGAH-LURJTMIESA-N -1 0 309.731 -0.452 20 0 DBADRM COc1cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])ccc1F ZINC000276154274 377552734 /nfs/dbraw/zinc/55/27/34/377552734.db2.gz CJEHFQNVSXZKBG-VIFPVBQESA-N -1 0 307.299 -0.052 20 0 DBADRM CC(C)c1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nn1C ZINC000277339147 377592126 /nfs/dbraw/zinc/59/21/26/377592126.db2.gz CUTQZKOGBOTUEA-UHFFFAOYSA-N -1 0 316.383 -0.261 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccco1 ZINC000277345947 377592421 /nfs/dbraw/zinc/59/24/21/377592421.db2.gz WTTDOTLTWVDBOX-SSDOTTSWSA-N -1 0 309.321 -0.848 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)COc1ccc(F)cc1 ZINC000277389039 377593243 /nfs/dbraw/zinc/59/32/43/377593243.db2.gz GGSOTNNZALKMHY-UHFFFAOYSA-N -1 0 318.326 -0.213 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000277432116 377594959 /nfs/dbraw/zinc/59/49/59/377594959.db2.gz VWBTWCMKYQUYNA-LURJTMIESA-N -1 0 310.276 -0.287 20 0 DBADRM CN(C)c1ccnc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000277762668 377606592 /nfs/dbraw/zinc/60/65/92/377606592.db2.gz VPXAQTUDBZASLF-UHFFFAOYSA-N -1 0 314.367 -0.657 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)C[C@@H]1CCCCO1 ZINC000333650920 304208106 /nfs/dbraw/zinc/20/81/06/304208106.db2.gz YZNOVOMSCXGBQP-DTWKUNHWSA-N -1 0 310.310 -0.262 20 0 DBADRM Cc1cccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000278162897 377615982 /nfs/dbraw/zinc/61/59/82/377615982.db2.gz CLBGDYQZXXNCMH-UHFFFAOYSA-N -1 0 300.336 -0.136 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1F ZINC000278206379 377616913 /nfs/dbraw/zinc/61/69/13/377616913.db2.gz HMTMXMFTPIOWEA-UHFFFAOYSA-N -1 0 322.289 -0.166 20 0 DBADRM Cc1nc(C)c(S(=O)(=O)NCCC(=O)NCC(=O)[O-])s1 ZINC000278168859 377617213 /nfs/dbraw/zinc/61/72/13/377617213.db2.gz CZZKGEUQSBXHBC-UHFFFAOYSA-N -1 0 321.380 -0.371 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000277865617 377611062 /nfs/dbraw/zinc/61/10/62/377611062.db2.gz LMMLLWHGYVUCCG-UHFFFAOYSA-N -1 0 301.324 -0.399 20 0 DBADRM Cc1ccccc1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000278327058 377618689 /nfs/dbraw/zinc/61/86/89/377618689.db2.gz UNORBQBSBVNONW-UHFFFAOYSA-N -1 0 300.336 -0.136 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])s1 ZINC000278357320 377622220 /nfs/dbraw/zinc/62/22/20/377622220.db2.gz YAIYZGSTINSSNE-UHFFFAOYSA-N -1 0 306.365 -0.074 20 0 DBADRM CCn1nccc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000278643244 377627145 /nfs/dbraw/zinc/62/71/45/377627145.db2.gz JCXKNJFQWQXWRU-SCZZXKLOSA-N -1 0 303.340 -0.234 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCOCC(N)=O ZINC000279143554 377643170 /nfs/dbraw/zinc/64/31/70/377643170.db2.gz CFRAUHBKAWFLRB-QMMMGPOBSA-N -1 0 313.276 -0.692 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CC(C(=O)[O-])C2)C1 ZINC000400132686 377646181 /nfs/dbraw/zinc/64/61/81/377646181.db2.gz RNFJTXWHRWNKKF-SECBINFHSA-N -1 0 305.356 -0.864 20 0 DBADRM COc1ccsc1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000279363582 377651019 /nfs/dbraw/zinc/65/10/19/377651019.db2.gz KSCJHVCJZBEWSA-UHFFFAOYSA-N -1 0 305.337 -0.046 20 0 DBADRM O=C(CN1CCOCC1=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000280646540 377697838 /nfs/dbraw/zinc/69/78/38/377697838.db2.gz NGNCXRVZVHPESF-UHFFFAOYSA-N -1 0 318.289 -0.173 20 0 DBADRM Cc1cc2c(cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)OCO2 ZINC000279978400 377674689 /nfs/dbraw/zinc/67/46/89/377674689.db2.gz KLTQZOHLSMRCEX-HQJQHLMTSA-N -1 0 317.319 -0.164 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)NCCc1nc(=O)o[n-]1 ZINC000280085512 377676861 /nfs/dbraw/zinc/67/68/61/377676861.db2.gz KZIUNDSRLJANPW-SSDOTTSWSA-N -1 0 300.340 -0.667 20 0 DBADRM O=C(CN1C(=O)COc2ccccc21)NCCc1nc(=O)o[n-]1 ZINC000280129734 377678935 /nfs/dbraw/zinc/67/89/35/377678935.db2.gz PEBQNWVYRGKEGH-UHFFFAOYSA-N -1 0 318.289 -0.553 20 0 DBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)NCCc1nc(=O)o[n-]1 ZINC000280203899 377682729 /nfs/dbraw/zinc/68/27/29/377682729.db2.gz VKASHWMLWITMER-VIFPVBQESA-N -1 0 311.342 -0.396 20 0 DBADRM CCCC[C@@H](NC(=O)NCC)C(=O)NCCc1nc(=O)o[n-]1 ZINC000280198814 377682749 /nfs/dbraw/zinc/68/27/49/377682749.db2.gz VBNBJRVAGMGZGX-SECBINFHSA-N -1 0 313.358 -0.101 20 0 DBADRM COCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C)cn1 ZINC000280257432 377684153 /nfs/dbraw/zinc/68/41/53/377684153.db2.gz JJWAYYBSKMPMFV-UHFFFAOYSA-N -1 0 323.396 -0.280 20 0 DBADRM COc1ccc(OC)c(C2=NO[C@@H](C(=O)[N-]OCC(N)=O)C2)c1 ZINC000281560767 377739943 /nfs/dbraw/zinc/73/99/43/377739943.db2.gz LSMWNEUEYXUCNE-GFCCVEGCSA-N -1 0 323.305 -0.270 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000281211955 377725446 /nfs/dbraw/zinc/72/54/46/377725446.db2.gz MYEBXTBDZJMYJG-ZETCQYMHSA-N -1 0 308.260 -0.094 20 0 DBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2ccccn2)CC1 ZINC000340083572 377727828 /nfs/dbraw/zinc/72/78/28/377727828.db2.gz UASJTTLFQMZLIU-UHFFFAOYSA-N -1 0 312.395 -0.476 20 0 DBADRM COc1ccc(OC)c(C2=NO[C@H](C(=O)[N-]OCC(N)=O)C2)c1 ZINC000281560773 377739317 /nfs/dbraw/zinc/73/93/17/377739317.db2.gz LSMWNEUEYXUCNE-LBPRGKRZSA-N -1 0 323.305 -0.270 20 0 DBADRM COc1cncc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])c1 ZINC000281779121 377750083 /nfs/dbraw/zinc/75/00/83/377750083.db2.gz HEAZDFALPPWZGN-LBPRGKRZSA-N -1 0 318.351 -0.158 20 0 DBADRM Cc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(C)n1C ZINC000281920376 377756527 /nfs/dbraw/zinc/75/65/27/377756527.db2.gz AJYTXGYETMFEPB-UHFFFAOYSA-N -1 0 301.368 -0.162 20 0 DBADRM CN(C[C@H](O)CO)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000282020834 377760812 /nfs/dbraw/zinc/76/08/12/377760812.db2.gz SFLUTYTVSYQCGD-VIFPVBQESA-N -1 0 323.374 -0.503 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000282132120 377764934 /nfs/dbraw/zinc/76/49/34/377764934.db2.gz IPWCEVDTTWLLIC-MUWHJKNJSA-N -1 0 317.305 -0.310 20 0 DBADRM CCOc1cccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000282868727 377796806 /nfs/dbraw/zinc/79/68/06/377796806.db2.gz OXNXPKXEQUBUBL-SNVBAGLBSA-N -1 0 316.335 -0.308 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC000618882376 377862052 /nfs/dbraw/zinc/86/20/52/377862052.db2.gz QNJBJFWREMOAKO-SFYZADRCSA-N -1 0 312.326 -0.390 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC000618882377 377862081 /nfs/dbraw/zinc/86/20/81/377862081.db2.gz QNJBJFWREMOAKO-YUMQZZPRSA-N -1 0 312.326 -0.390 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)NCCC1(O)CCOCC1 ZINC000290031709 377895546 /nfs/dbraw/zinc/89/55/46/377895546.db2.gz ZAXCKQWJAIOGIZ-UHFFFAOYSA-N -1 0 305.356 -0.225 20 0 DBADRM COc1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cn1 ZINC000290052745 377895568 /nfs/dbraw/zinc/89/55/68/377895568.db2.gz DMHOKIRSNOEXMT-UHFFFAOYSA-N -1 0 300.296 -0.713 20 0 DBADRM Cc1nc(=NC(=O)C(=O)N=c2cc(CC(C)(C)C)[nH][nH]2)[n-]n1C ZINC000340372142 377922160 /nfs/dbraw/zinc/92/21/60/377922160.db2.gz SMOARGVCMALUKV-UHFFFAOYSA-N -1 0 319.369 -0.144 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@@H]2CC(=O)N(C)C2=O)CCC1 ZINC000291676470 377931139 /nfs/dbraw/zinc/93/11/39/377931139.db2.gz KWALMKNAPVVPTM-MRVPVSSYSA-N -1 0 318.351 -0.994 20 0 DBADRM COC(=O)[C@@H](CF)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000292617313 377954602 /nfs/dbraw/zinc/95/46/02/377954602.db2.gz OEYINAGHMANNTH-SSDOTTSWSA-N -1 0 324.268 -0.015 20 0 DBADRM COC(=O)CCCO[N-]C(=O)Cn1nc2ccccn2c1=O ZINC000290654242 377910736 /nfs/dbraw/zinc/91/07/36/377910736.db2.gz NOZPUEQOGHDWIV-UHFFFAOYSA-N -1 0 308.294 -0.503 20 0 DBADRM CCOC[C@H](NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000290737566 377912706 /nfs/dbraw/zinc/91/27/06/377912706.db2.gz WUXJHSZEXLUEDF-LURJTMIESA-N -1 0 311.747 -0.159 20 0 DBADRM CSCCO[N-]C(=O)CNS(=O)(=O)c1c(C)noc1C ZINC000290843341 377915839 /nfs/dbraw/zinc/91/58/39/377915839.db2.gz JAMYCBPDMKALHK-UHFFFAOYSA-N -1 0 323.396 -0.019 20 0 DBADRM CC(C)(C)OC(=O)C1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC000295903283 378015070 /nfs/dbraw/zinc/01/50/70/378015070.db2.gz HXSYWHFHXROYHL-UHFFFAOYSA-N -1 0 314.367 -0.010 20 0 DBADRM CC[C@H](C)[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000340517670 378015129 /nfs/dbraw/zinc/01/51/29/378015129.db2.gz FIIOSBTYQPIVMP-DTWKUNHWSA-N -1 0 315.413 -0.160 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N(C)CCCC(=O)[O-] ZINC000340447688 377981649 /nfs/dbraw/zinc/98/16/49/377981649.db2.gz DWEVRXAHBSRWKJ-UHFFFAOYSA-N -1 0 312.388 -0.377 20 0 DBADRM O=C([O-])CNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000340449869 377982881 /nfs/dbraw/zinc/98/28/81/377982881.db2.gz HKSZSCCWFORCRB-UHFFFAOYSA-N -1 0 305.333 -0.621 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000340452387 377985448 /nfs/dbraw/zinc/98/54/48/377985448.db2.gz QLVJVMDMMNCQOY-MRVPVSSYSA-N -1 0 301.386 -0.550 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)CSCC(=O)N1CCOCC1 ZINC000044614881 377988189 /nfs/dbraw/zinc/98/81/89/377988189.db2.gz JOHOOUBMDUUGPM-JTQLQIEISA-N -1 0 318.395 -0.100 20 0 DBADRM CCNC(=O)[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C(C)C ZINC000294424221 377991393 /nfs/dbraw/zinc/99/13/93/377991393.db2.gz RZPDRBDPYRQZTB-QMMMGPOBSA-N -1 0 301.372 -0.533 20 0 DBADRM CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)CCCCF)n1 ZINC000342448519 378099111 /nfs/dbraw/zinc/09/91/11/378099111.db2.gz NNGDYHAVCDSGRI-UHFFFAOYSA-N -1 0 307.351 -0.142 20 0 DBADRM C[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCN1CCO ZINC000330784363 378275490 /nfs/dbraw/zinc/27/54/90/378275490.db2.gz RTZCOOLNFMYVNP-MRVPVSSYSA-N -1 0 301.372 -0.873 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)[C@H]2CCS(=O)(=O)C2)[n-]1 ZINC000330598584 378241107 /nfs/dbraw/zinc/24/11/07/378241107.db2.gz DQDQINFNPXXHIJ-ZETCQYMHSA-N -1 0 301.324 -0.040 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000571669559 378327871 /nfs/dbraw/zinc/32/78/71/378327871.db2.gz YVNYADSNRYEBMJ-WOPDTQHZSA-N -1 0 312.366 -0.071 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NCc2ccc(C(=O)[O-])cc2)c1=O ZINC000320629105 378347493 /nfs/dbraw/zinc/34/74/93/378347493.db2.gz FVSCDXWMBTVYGZ-UHFFFAOYSA-N -1 0 317.301 -0.438 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000583499937 378403995 /nfs/dbraw/zinc/40/39/95/378403995.db2.gz GISGFHWWPNTMLK-VHSXEESVSA-N -1 0 313.354 -0.850 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C[C@H](C)O1 ZINC000582179080 378416909 /nfs/dbraw/zinc/41/69/09/378416909.db2.gz IYFKUVWZOHEQKF-JGVFFNPUSA-N -1 0 319.339 -0.468 20 0 DBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)[C@H]1CCC[C@H]1C(=O)OC ZINC000344977625 378367385 /nfs/dbraw/zinc/36/73/85/378367385.db2.gz RSPSGCKYDVPRDK-VGMNWLOBSA-N -1 0 311.331 -0.241 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(CCC#N)CCOC ZINC000519408915 378442118 /nfs/dbraw/zinc/44/21/18/378442118.db2.gz NTJZGIMIBUCLBD-JTQLQIEISA-N -1 0 307.372 -0.112 20 0 DBADRM CN1CCOC[C@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000329207349 378465504 /nfs/dbraw/zinc/46/55/04/378465504.db2.gz XQYOHXKRSYOKRS-NSHDSACASA-N -1 0 304.310 -0.363 20 0 DBADRM C[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000329345473 378477973 /nfs/dbraw/zinc/47/79/73/378477973.db2.gz USMBAFMBXLRNDU-GARJFASQSA-N -1 0 311.425 -0.092 20 0 DBADRM Cc1nnc([C@@H]2CCCN(C(=O)c3cnc([O-])n(C)c3=O)C2)[nH]1 ZINC000329412813 378483045 /nfs/dbraw/zinc/48/30/45/378483045.db2.gz CCPKKZWGPIZTPK-SECBINFHSA-N -1 0 318.337 -0.068 20 0 DBADRM O=S1(=O)[N-]C(CN2C[C@@H](O)C[C@H]2CO)=Nc2ccccc21 ZINC000329944265 378514797 /nfs/dbraw/zinc/51/47/97/378514797.db2.gz FDKLGNSOGFYKKA-UWVGGRQHSA-N -1 0 311.363 -0.564 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC/C=C/CO ZINC000617693508 378552982 /nfs/dbraw/zinc/55/29/82/378552982.db2.gz GVKPFTGFQMAFFR-OWOJBTEDSA-N -1 0 320.317 -0.092 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1CCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000617726225 378561425 /nfs/dbraw/zinc/56/14/25/378561425.db2.gz UMQCECADWCPGOF-BDAKNGLRSA-N -1 0 315.399 -0.172 20 0 DBADRM C[C@@H]1CN(CCNC(=O)c2cnc([O-])n(C)c2=O)[C@H](C)CO1 ZINC000617731220 378564616 /nfs/dbraw/zinc/56/46/16/378564616.db2.gz XACXQVXZJAQYCX-NXEZZACHSA-N -1 0 310.354 -0.675 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000367135424 378577134 /nfs/dbraw/zinc/57/71/34/378577134.db2.gz LHTCUKQEBSAADH-LBPRGKRZSA-N -1 0 314.319 -0.693 20 0 DBADRM COC(=O)COc1cccc(CNC(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000609680344 378580295 /nfs/dbraw/zinc/58/02/95/378580295.db2.gz PXOXMIIPPUILMP-UHFFFAOYSA-N -1 0 306.278 -0.008 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])s1 ZINC000547604918 378580342 /nfs/dbraw/zinc/58/03/42/378580342.db2.gz AHGAUXFJPGTRPA-LWESTGQBSA-N -1 0 324.405 -0.342 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000532676118 378585734 /nfs/dbraw/zinc/58/57/34/378585734.db2.gz FYHZTFJRULLNNS-ZETCQYMHSA-N -1 0 322.321 -0.879 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000532793140 378587038 /nfs/dbraw/zinc/58/70/38/378587038.db2.gz ACIYEOFTGNWJLI-SECBINFHSA-N -1 0 301.372 -0.270 20 0 DBADRM COC(=O)Cc1nc(NC(=O)C2(C(=O)NC3CC3)CCC2)n[nH]1 ZINC000609879656 378616017 /nfs/dbraw/zinc/61/60/17/378616017.db2.gz OCPVYPRMQZDQTI-UHFFFAOYSA-N -1 0 321.337 -0.092 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N2CC[C@@H]2C(=O)[O-])CC1 ZINC000384660473 378666483 /nfs/dbraw/zinc/66/64/83/378666483.db2.gz RVSLVFBJRLEGAA-SECBINFHSA-N -1 0 306.340 -0.725 20 0 DBADRM CCOC1CC(C(=O)N=c2nc(CS(C)(=O)=O)[n-]o2)C1 ZINC000353963109 378695127 /nfs/dbraw/zinc/69/51/27/378695127.db2.gz WGLNLARULPHIMI-UHFFFAOYSA-N -1 0 303.340 -0.210 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NC(C)(C)c1nnn[n-]1 ZINC000354773885 378764697 /nfs/dbraw/zinc/76/46/97/378764697.db2.gz NXWHOWHKQMAHLP-UHFFFAOYSA-N -1 0 304.376 -0.777 20 0 DBADRM CC(C)(NC(=O)c1cnc2c(c1)NC(=O)CO2)c1nnn[n-]1 ZINC000355964295 378846229 /nfs/dbraw/zinc/84/62/29/378846229.db2.gz KRUBYQCRECMFTC-UHFFFAOYSA-N -1 0 303.282 -0.409 20 0 DBADRM COc1cc(F)ccc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000355977658 378847204 /nfs/dbraw/zinc/84/72/04/378847204.db2.gz JAHCEWKCZGYWSR-UHFFFAOYSA-N -1 0 309.257 -0.087 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000355993297 378849281 /nfs/dbraw/zinc/84/92/81/378849281.db2.gz SKRNWVBOAZUDAY-UHFFFAOYSA-N -1 0 323.259 -0.006 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)CCCC(N)=O)ccc1[O-] ZINC000357351174 378937823 /nfs/dbraw/zinc/93/78/23/378937823.db2.gz WNFGTXJMBZRJJG-UHFFFAOYSA-N -1 0 315.351 -0.106 20 0 DBADRM CNC(=O)CC(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1 ZINC000357348712 378938882 /nfs/dbraw/zinc/93/88/82/378938882.db2.gz RSAFOTCHAKUIBE-UHFFFAOYSA-N -1 0 301.324 -0.625 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000367249919 378909449 /nfs/dbraw/zinc/90/94/49/378909449.db2.gz CMQLMRRWVVVIEN-SNVBAGLBSA-N -1 0 323.758 -0.096 20 0 DBADRM CN(CC(=O)NC1(c2nnn[n-]2)CC1)c1ncnc2nc[nH]c21 ZINC000357049270 378914448 /nfs/dbraw/zinc/91/44/48/378914448.db2.gz NHLQVVOADJJFIE-UHFFFAOYSA-N -1 0 314.313 -0.892 20 0 DBADRM CNC(=O)c1cccc(OCC(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000357056425 378916929 /nfs/dbraw/zinc/91/69/29/378916929.db2.gz OWFWMOSZZTVXBN-UHFFFAOYSA-N -1 0 316.321 -0.256 20 0 DBADRM Cn1nnnc1CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000357104772 378920699 /nfs/dbraw/zinc/92/06/99/378920699.db2.gz LTGKYKONVHIFKP-UHFFFAOYSA-N -1 0 301.266 -0.517 20 0 DBADRM CC(=O)NCCN(C(=O)COC[C@@H]1CCOC1)[C@@H](C)C(=O)[O-] ZINC000357767866 378968982 /nfs/dbraw/zinc/96/89/82/378968982.db2.gz YSZFGIJPVSKNBM-CMPLNLGQSA-N -1 0 316.354 -0.523 20 0 DBADRM CC(C)CO[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000643431327 378994131 /nfs/dbraw/zinc/99/41/31/378994131.db2.gz HHBBXFSTEFROLN-VHSXEESVSA-N -1 0 307.368 -0.242 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000358387829 379035062 /nfs/dbraw/zinc/03/50/62/379035062.db2.gz ZKXRFPGJCWHLHL-IUCAKERBSA-N -1 0 318.403 -0.665 20 0 DBADRM C[C@H](CN(C)C(=O)CN1C(=O)NC(C)(C)C1=O)c1nnn[n-]1 ZINC000358392325 379035326 /nfs/dbraw/zinc/03/53/26/379035326.db2.gz OWDADRUUYVQDLG-SSDOTTSWSA-N -1 0 309.330 -0.908 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000358398118 379036630 /nfs/dbraw/zinc/03/66/30/379036630.db2.gz WFJCJDOFDUFPDO-SECBINFHSA-N -1 0 318.403 -0.567 20 0 DBADRM Cc1cccc2c(=O)n(CC(=O)NCc3n[nH]c(=O)[n-]3)cnc12 ZINC000358349599 379029159 /nfs/dbraw/zinc/02/91/59/379029159.db2.gz CXDAWGWJZVOQEX-UHFFFAOYSA-N -1 0 314.305 -0.155 20 0 DBADRM O=C(CCn1nnc2ccccc2c1=O)NCc1n[nH]c(=O)[n-]1 ZINC000358352464 379029347 /nfs/dbraw/zinc/02/93/47/379029347.db2.gz HFXNEZKMLBQVIF-UHFFFAOYSA-N -1 0 315.293 -0.678 20 0 DBADRM Cc1nn2c(S[C@H](C)C(=O)N3CCNC3=O)n[n-]c2nc1=O ZINC000358638933 379070399 /nfs/dbraw/zinc/07/03/99/379070399.db2.gz YECDUNSSJIQYCK-ZCFIWIBFSA-N -1 0 323.338 -0.847 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2csnn2)C1=O ZINC000358723400 379082203 /nfs/dbraw/zinc/08/22/03/379082203.db2.gz ZEGUKADZIIGRGG-APPZFPTMSA-N -1 0 312.351 -0.022 20 0 DBADRM CCCCO[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000643432561 379085879 /nfs/dbraw/zinc/08/58/79/379085879.db2.gz UJNUEOUOXKUBDW-UWVGGRQHSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cnns2)C1=O ZINC000358723432 379080161 /nfs/dbraw/zinc/08/01/61/379080161.db2.gz ZRCXKFRJNDLOKZ-APPZFPTMSA-N -1 0 312.351 -0.022 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cnns2)C1=O ZINC000358723435 379080885 /nfs/dbraw/zinc/08/08/85/379080885.db2.gz ZRCXKFRJNDLOKZ-VXNVDRBHSA-N -1 0 312.351 -0.022 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)[C@H]2COCCO2)C1=O ZINC000358715363 379081856 /nfs/dbraw/zinc/08/18/56/379081856.db2.gz NZUUBIKJGPVJHR-GMTAPVOTSA-N -1 0 314.338 -0.772 20 0 DBADRM O=C(Cn1nnc(-c2ccccc2)n1)NCc1n[nH]c(=O)[n-]1 ZINC000358947765 379110226 /nfs/dbraw/zinc/11/02/26/379110226.db2.gz IVMKRFDYUKGUKV-UHFFFAOYSA-N -1 0 300.282 -0.520 20 0 DBADRM C[NH+](C)CCn1nccc1NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000359506927 379172032 /nfs/dbraw/zinc/17/20/32/379172032.db2.gz AUFMBKUDSSGDNO-UHFFFAOYSA-N -1 0 311.371 -0.001 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC(C)(C)c2nnn[n-]2)o1 ZINC000359790114 379197145 /nfs/dbraw/zinc/19/71/45/379197145.db2.gz PHESLSGAJJLUCK-UHFFFAOYSA-N -1 0 314.327 -0.634 20 0 DBADRM CC(C)(NC(=O)c1cccc(OCC(N)=O)c1)c1nnn[n-]1 ZINC000359796584 379198575 /nfs/dbraw/zinc/19/85/75/379198575.db2.gz XGPARQFOMVAWKE-UHFFFAOYSA-N -1 0 304.310 -0.271 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCC1)[C@H](C)O ZINC000360181353 379235088 /nfs/dbraw/zinc/23/50/88/379235088.db2.gz BVQCUWAXFSVIJN-IUCAKERBSA-N -1 0 323.367 -0.829 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)CC1(C(=O)OC)CCC1 ZINC000360181274 379237098 /nfs/dbraw/zinc/23/70/98/379237098.db2.gz BNPOGMSATMTHBV-SECBINFHSA-N -1 0 323.367 -0.827 20 0 DBADRM COC(=O)[C@H](CF)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000360483516 379269829 /nfs/dbraw/zinc/26/98/29/379269829.db2.gz PTWLSZPAEQNLBE-ZETCQYMHSA-N -1 0 310.241 -0.323 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@@H](C)S(=O)(=O)c2ncc[n-]2)CC1 ZINC000361280769 379340229 /nfs/dbraw/zinc/34/02/29/379340229.db2.gz KOKPEEOMQUPFFG-SECBINFHSA-N -1 0 314.367 -0.737 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCN1CCC1 ZINC000360848162 379306961 /nfs/dbraw/zinc/30/69/61/379306961.db2.gz XAUTYMFASQZENG-UHFFFAOYSA-N -1 0 305.381 -0.086 20 0 DBADRM NC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000362500038 379443795 /nfs/dbraw/zinc/44/37/95/379443795.db2.gz QZKCEPLSAFCHDY-NXEZZACHSA-N -1 0 305.290 -0.439 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000367396067 379451628 /nfs/dbraw/zinc/45/16/28/379451628.db2.gz GGFLQUXTDBZKOJ-SNVBAGLBSA-N -1 0 311.363 -0.185 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)NC1(CC(=O)[O-])CCC1)c2=O ZINC000362697166 379461230 /nfs/dbraw/zinc/46/12/30/379461230.db2.gz IZNIHLRACALBBD-UHFFFAOYSA-N -1 0 319.321 -0.356 20 0 DBADRM CC(C)(CC(N)=O)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000626449974 379534510 /nfs/dbraw/zinc/53/45/10/379534510.db2.gz OKCGLSXUXWMFNK-UHFFFAOYSA-N -1 0 314.367 -0.163 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000368411414 379538051 /nfs/dbraw/zinc/53/80/51/379538051.db2.gz OCWXYFCBNCMVJD-SSDOTTSWSA-N -1 0 323.758 -0.144 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)c2ccc3c(c2)OCO3)CCOC1 ZINC000368520413 379542997 /nfs/dbraw/zinc/54/29/97/379542997.db2.gz VALIKUBBPFTHEJ-GFCCVEGCSA-N -1 0 315.303 -0.063 20 0 DBADRM Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])CC2 ZINC000643448432 379508702 /nfs/dbraw/zinc/50/87/02/379508702.db2.gz KLZYFLYAUVCHJZ-OAHLLOKOSA-N -1 0 306.318 -0.164 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1 ZINC000367501340 379509181 /nfs/dbraw/zinc/50/91/81/379509181.db2.gz XCHUFWFGRPBWHK-MRVPVSSYSA-N -1 0 316.326 -0.149 20 0 DBADRM CC1CCN(C(=O)C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CC1 ZINC000368903989 379559329 /nfs/dbraw/zinc/55/93/29/379559329.db2.gz DSMXBZLIKJQYDP-SNVBAGLBSA-N -1 0 308.342 -0.642 20 0 DBADRM O=C(Nc1ccnc2ccnn21)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000117414854 379562642 /nfs/dbraw/zinc/56/26/42/379562642.db2.gz GGQHUTKHGDHWGV-UHFFFAOYSA-N -1 0 323.272 -0.094 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)C[C@@H]1C(=O)[O-] ZINC000582420714 379651056 /nfs/dbraw/zinc/65/10/56/379651056.db2.gz FYTHPFUHEZXTRA-MOLYVOAJSA-N -1 0 324.377 -0.215 20 0 DBADRM CN(C[C@H]1CCCCO1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643457043 379684366 /nfs/dbraw/zinc/68/43/66/379684366.db2.gz HNLRUGRSZJWEKC-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643457011 379684648 /nfs/dbraw/zinc/68/46/48/379684648.db2.gz CFGJLYGKKDXSOU-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCS1 ZINC000643458480 379690064 /nfs/dbraw/zinc/69/00/64/379690064.db2.gz UDHGICDQWRHNGR-RKDXNWHRSA-N -1 0 302.352 -0.738 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2Cc3ccccc3C2)CCO1 ZINC000643458876 379695201 /nfs/dbraw/zinc/69/52/01/379695201.db2.gz OLCBSEAZCCOJRB-GFCCVEGCSA-N -1 0 304.302 -0.159 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CC[C@H](c3ccco3)C2)CCO1 ZINC000643459162 379697806 /nfs/dbraw/zinc/69/78/06/379697806.db2.gz OGXDSTGXZBGGET-CMPLNLGQSA-N -1 0 322.317 -0.093 20 0 DBADRM CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC000643460513 379702981 /nfs/dbraw/zinc/70/29/81/379702981.db2.gz VCAXAOSWEOYKOY-GHMZBOCLSA-N -1 0 314.338 -0.818 20 0 DBADRM CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC000643460514 379703213 /nfs/dbraw/zinc/70/32/13/379703213.db2.gz VCAXAOSWEOYKOY-MNOVXSKESA-N -1 0 314.338 -0.818 20 0 DBADRM CCC[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC000643460491 379704428 /nfs/dbraw/zinc/70/44/28/379704428.db2.gz RAZCLZWUUWWJGF-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCc3c[nH]nc3C2)C1 ZINC000643460825 379705547 /nfs/dbraw/zinc/70/55/47/379705547.db2.gz ITFGCYJSOWBSHV-KOLCDFICSA-N -1 0 320.349 -0.136 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C[C@@H](C2CC2)O1 ZINC000643462503 379789900 /nfs/dbraw/zinc/78/99/00/379789900.db2.gz JFNPTKUYZSVJCH-USWWRNFRSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@@H](C)[C@@H](C)O1 ZINC000643464338 379806542 /nfs/dbraw/zinc/80/65/42/379806542.db2.gz GRCWUZBPQQXAON-YTWAJWBKSA-N -1 0 314.338 -0.677 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](OC)C2)C1 ZINC000633065101 379759016 /nfs/dbraw/zinc/75/90/16/379759016.db2.gz ACLUPYAIDSQVSC-IINYFYTJSA-N -1 0 314.338 -0.817 20 0 DBADRM CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CCN1C ZINC000633070565 379786427 /nfs/dbraw/zinc/78/64/27/379786427.db2.gz MOBZAJRWTMZWAE-VXGBXAGGSA-N -1 0 311.382 -0.282 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-] ZINC000230324877 379868146 /nfs/dbraw/zinc/86/81/46/379868146.db2.gz WWOOWXDGIRYHGA-ZETCQYMHSA-N -1 0 318.332 -0.086 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)CC[C@H]2CCCO2)CCOC1 ZINC000610760162 379834432 /nfs/dbraw/zinc/83/44/32/379834432.db2.gz XSZOTOCAFXXLTN-ZYHUDNBSSA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2ccnn2C)[C@H](C(=O)[O-])[C@H](C)O1 ZINC000584720916 379839230 /nfs/dbraw/zinc/83/92/30/379839230.db2.gz NFKDKAPXBPFKTM-WEDXCCLWSA-N -1 0 303.340 -0.329 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)O)C[C@H]1C(=O)[O-] ZINC000584782687 379843996 /nfs/dbraw/zinc/84/39/96/379843996.db2.gz UCJZNFCPNUXYAC-NXEZZACHSA-N -1 0 300.355 -0.215 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000222569540 379847120 /nfs/dbraw/zinc/84/71/20/379847120.db2.gz WGUKMKIANBZINE-VHSXEESVSA-N -1 0 302.327 -0.818 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000584823723 379848087 /nfs/dbraw/zinc/84/80/87/379848087.db2.gz SJAPJOUZNVGRMP-ZJUUUORDSA-N -1 0 312.388 -0.475 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1cccc2c1OCCO2 ZINC000584849294 379853752 /nfs/dbraw/zinc/85/37/52/379853752.db2.gz GPPWXPZRRKCJFJ-SSDOTTSWSA-N -1 0 303.292 -0.818 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)[C@@H](C)CO1 ZINC000223205728 379854900 /nfs/dbraw/zinc/85/49/00/379854900.db2.gz DEWIZQQNTQDQOQ-IUCAKERBSA-N -1 0 303.340 -0.234 20 0 DBADRM NS(=O)(=O)c1ccc(NCCCOCCO)c(C(=O)[O-])c1 ZINC000230765972 379869797 /nfs/dbraw/zinc/86/97/97/379869797.db2.gz IAXHCVVOJOMGKP-UHFFFAOYSA-N -1 0 318.351 -0.157 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000040578690 379861886 /nfs/dbraw/zinc/86/18/86/379861886.db2.gz DABDHORXKFNZDI-JTQLQIEISA-N -1 0 315.351 -0.339 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC000040396520 379862008 /nfs/dbraw/zinc/86/20/08/379862008.db2.gz PUNHSKHEOTXROG-CIUDSAMLSA-N -1 0 310.397 -0.200 20 0 DBADRM Cc1cc(C#N)ccc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000226136776 379864078 /nfs/dbraw/zinc/86/40/78/379864078.db2.gz ROYQFPAQNDWODM-UHFFFAOYSA-N -1 0 311.319 -0.654 20 0 DBADRM C[S@@](=O)CCCNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000229193349 379865501 /nfs/dbraw/zinc/86/55/01/379865501.db2.gz CKWVYVKPZLLMOV-NIVTXAMTSA-N -1 0 312.413 -0.614 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1c(Cl)cnn1C)CC(=O)[O-] ZINC000227867074 379866343 /nfs/dbraw/zinc/86/63/43/379866343.db2.gz IXHZVTLXGCWVKK-LURJTMIESA-N -1 0 311.747 -0.159 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)C1 ZINC000643466451 379820854 /nfs/dbraw/zinc/82/08/54/379820854.db2.gz KYHYJPHVXKEZIO-WOPDTQHZSA-N -1 0 322.361 -0.053 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)C[C@H](O)C2CC2)C1 ZINC000643468611 379822878 /nfs/dbraw/zinc/82/28/78/379822878.db2.gz KDWKMGAZWZSROE-JLLWLGSASA-N -1 0 312.366 -0.215 20 0 DBADRM CC(C)OCCCN(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643467344 379823313 /nfs/dbraw/zinc/82/33/13/379823313.db2.gz GQCQQUCBFUIVMB-NSHDSACASA-N -1 0 316.354 -0.428 20 0 DBADRM O=C(NC[C@H]1CCC[C@H](O)C1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000123570514 379884708 /nfs/dbraw/zinc/88/47/08/379884708.db2.gz TWUBJJRCPLPOTP-WPRPVWTQSA-N -1 0 318.333 -0.108 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000047861591 379903812 /nfs/dbraw/zinc/90/38/12/379903812.db2.gz CCSZWXAFTIDPSD-UHFFFAOYSA-N -1 0 316.364 -0.132 20 0 DBADRM CC(C)(C)N1C[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])CC1=O ZINC000420563575 380065328 /nfs/dbraw/zinc/06/53/28/380065328.db2.gz OTZBFWZTJWGKFW-VIFPVBQESA-N -1 0 313.354 -0.517 20 0 DBADRM CCOC(=O)C[C@H](C)CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000420560877 380065560 /nfs/dbraw/zinc/06/55/60/380065560.db2.gz NUVCZXREHFNWQS-VHSXEESVSA-N -1 0 314.338 -0.375 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1=O ZINC000420550948 380066448 /nfs/dbraw/zinc/06/64/48/380066448.db2.gz RBPZQTLLIULDHX-UWVGGRQHSA-N -1 0 311.338 -0.955 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC000420548653 380067053 /nfs/dbraw/zinc/06/70/53/380067053.db2.gz FCBWGRMGFHKPJP-IUCAKERBSA-N -1 0 311.338 -0.955 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(c2ccccc2)CC1 ZINC000420602527 380068215 /nfs/dbraw/zinc/06/82/15/380068215.db2.gz RYRQVCWAUFRRJR-UHFFFAOYSA-N -1 0 305.334 -0.074 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)NCCCCCC(=O)[O-] ZINC000420595311 380068299 /nfs/dbraw/zinc/06/82/99/380068299.db2.gz RTHXFABUJWVUMF-SNVBAGLBSA-N -1 0 313.354 -0.563 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)C(=O)N2CCC[C@H](O)C2)cc1 ZINC000420591384 380068347 /nfs/dbraw/zinc/06/83/47/380068347.db2.gz VKZWRJCAWGEXBY-LBPRGKRZSA-N -1 0 306.318 -0.016 20 0 DBADRM CC(C)N1C(=O)CN(C(=O)C(=O)NCCC(=O)[O-])CC1(C)C ZINC000420603041 380069345 /nfs/dbraw/zinc/06/93/45/380069345.db2.gz TWWFOODAIVDRCR-UHFFFAOYSA-N -1 0 313.354 -0.565 20 0 DBADRM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)NCCCC(=O)[O-] ZINC000420595023 380069371 /nfs/dbraw/zinc/06/93/71/380069371.db2.gz QWCKJVSDKFNHDX-QWRGUYRKSA-N -1 0 300.355 -0.023 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000429491079 380077866 /nfs/dbraw/zinc/07/78/66/380077866.db2.gz KWURTUZEDAKGAV-VIFPVBQESA-N -1 0 307.262 -0.706 20 0 DBADRM COC(=O)[C@@H](CO)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000429491075 380078295 /nfs/dbraw/zinc/07/82/95/380078295.db2.gz KWURTUZEDAKGAV-SECBINFHSA-N -1 0 307.262 -0.706 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000572179927 380135938 /nfs/dbraw/zinc/13/59/38/380135938.db2.gz IEKNQJZJCYUDOX-RTXFEEFZSA-N -1 0 323.393 -0.234 20 0 DBADRM CCOC(=O)c1cnn2c1nccc2C(=O)NCc1nnn[n-]1 ZINC000611280615 380117491 /nfs/dbraw/zinc/11/74/91/380117491.db2.gz JDTDJPVLEOZFCO-UHFFFAOYSA-N -1 0 316.281 -0.651 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000571790269 380118516 /nfs/dbraw/zinc/11/85/16/380118516.db2.gz GBHSRRQLNVVZBL-OPRDCNLKSA-N -1 0 315.351 -0.014 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCCCN2C(=O)CCC2=O)cn1 ZINC000571761194 380119193 /nfs/dbraw/zinc/11/91/93/380119193.db2.gz BBACAOZBVSLCHW-UHFFFAOYSA-N -1 0 306.278 -0.556 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000571881898 380122868 /nfs/dbraw/zinc/12/28/68/380122868.db2.gz GOPWZEIIMWHWOO-RWSFTLGLSA-N -1 0 312.366 -0.071 20 0 DBADRM Cc1nccn1CCCN1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000572044546 380128856 /nfs/dbraw/zinc/12/88/56/380128856.db2.gz JFFHMYSQRDRJPA-JTQLQIEISA-N -1 0 306.326 -0.152 20 0 DBADRM C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(C)(C)O ZINC000611750516 380205679 /nfs/dbraw/zinc/20/56/79/380205679.db2.gz JNGPMLYCVOPAIU-SSDOTTSWSA-N -1 0 302.352 -0.071 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000262373151 380187586 /nfs/dbraw/zinc/18/75/86/380187586.db2.gz FTGAHBUHKQGWAR-NXEZZACHSA-N -1 0 324.399 -0.348 20 0 DBADRM Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CCO2)n1 ZINC000262455801 380190146 /nfs/dbraw/zinc/19/01/46/380190146.db2.gz XEJRAXUBCWLHBS-TUAOUCFPSA-N -1 0 308.338 -0.157 20 0 DBADRM COc1cc2c(cc1S(=O)(=O)NCC(=O)[O-])OCC(=O)N2 ZINC000262627305 380198949 /nfs/dbraw/zinc/19/89/49/380198949.db2.gz JKBDKDABDFCSBV-UHFFFAOYSA-N -1 0 316.291 -0.611 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)c2cc(C(=O)[O-])co2)C1 ZINC000262742168 380200242 /nfs/dbraw/zinc/20/02/42/380200242.db2.gz IIWNMAKKSNVKJZ-QMMMGPOBSA-N -1 0 316.335 -0.011 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cn1 ZINC000261655985 380150864 /nfs/dbraw/zinc/15/08/64/380150864.db2.gz IKYIRCGXDARIGR-SECBINFHSA-N -1 0 317.323 -0.706 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])CC1 ZINC000574993354 380257694 /nfs/dbraw/zinc/25/76/94/380257694.db2.gz PSYGEFYSNSIHKV-UWVGGRQHSA-N -1 0 307.368 -0.035 20 0 DBADRM CCCCN1CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000263003519 380207712 /nfs/dbraw/zinc/20/77/12/380207712.db2.gz XMNFRKVRPIGZNS-LLVKDONJSA-N -1 0 308.400 -0.167 20 0 DBADRM CC(C)C[C@H](CNC(=O)N1CCO[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000263109466 380209357 /nfs/dbraw/zinc/20/93/57/380209357.db2.gz YIUZPZKAWCKEOW-NXEZZACHSA-N -1 0 301.343 -0.371 20 0 DBADRM CO[C@H](CNC(=O)CCc1c(C)nc2ncnn2c1C)C(=O)[O-] ZINC000263116899 380210032 /nfs/dbraw/zinc/21/00/32/380210032.db2.gz QNBSYCOZEAWAEW-LLVKDONJSA-N -1 0 321.337 -0.110 20 0 DBADRM COC[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000263140120 380210996 /nfs/dbraw/zinc/21/09/96/380210996.db2.gz YJLUZGAGOQNQTO-JTQLQIEISA-N -1 0 321.289 -0.682 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000263227265 380214064 /nfs/dbraw/zinc/21/40/64/380214064.db2.gz AHEFPPWYJSLBFO-JTQLQIEISA-N -1 0 322.383 -0.640 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263263194 380214269 /nfs/dbraw/zinc/21/42/69/380214269.db2.gz VAQXDXZPEVPQHZ-UWVGGRQHSA-N -1 0 322.383 -0.089 20 0 DBADRM COC(=O)c1ccc(NC(=O)c2cnc([O-])n(C)c2=O)cn1 ZINC000611883689 380214912 /nfs/dbraw/zinc/21/49/12/380214912.db2.gz NBDMSTKADHLXQY-UHFFFAOYSA-N -1 0 304.262 -0.080 20 0 DBADRM Cn1cc(N2CCN(c3cnc(C(=O)[O-])cn3)CC2=O)cn1 ZINC000263388947 380215035 /nfs/dbraw/zinc/21/50/35/380215035.db2.gz FSCAEBMSVIXMLH-UHFFFAOYSA-N -1 0 302.294 -0.239 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000611860846 380215190 /nfs/dbraw/zinc/21/51/90/380215190.db2.gz HQCFMENTEZHJQA-AWEZNQCLSA-N -1 0 301.306 -0.416 20 0 DBADRM CC(C)C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000263443541 380217020 /nfs/dbraw/zinc/21/70/20/380217020.db2.gz QFSAPZCFMNNERD-SNVBAGLBSA-N -1 0 315.351 -0.042 20 0 DBADRM C[C@@H](NC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)C(=O)[O-] ZINC000263435742 380217307 /nfs/dbraw/zinc/21/73/07/380217307.db2.gz OMPBJOHSMDLWJG-ZCFIWIBFSA-N -1 0 321.293 -0.441 20 0 DBADRM C[C@H](NC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)C(=O)[O-] ZINC000263435739 380217635 /nfs/dbraw/zinc/21/76/35/380217635.db2.gz OMPBJOHSMDLWJG-LURJTMIESA-N -1 0 321.293 -0.441 20 0 DBADRM C[C@]1(O)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000611953639 380235135 /nfs/dbraw/zinc/23/51/35/380235135.db2.gz LPRYVZUZLFHGLC-LBPRGKRZSA-N -1 0 300.336 -0.364 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCCn2cccn2)C1 ZINC000422724799 380295705 /nfs/dbraw/zinc/29/57/05/380295705.db2.gz WQNNHICNEZXORO-NEPJUHHUSA-N -1 0 322.365 -0.041 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000422703188 380295730 /nfs/dbraw/zinc/29/57/30/380295730.db2.gz MKADFORCEUVKSS-UWVGGRQHSA-N -1 0 313.354 -0.850 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCn2cccn2)C1 ZINC000422724846 380295756 /nfs/dbraw/zinc/29/57/56/380295756.db2.gz WTXLHLOJYWLHIY-MNOVXSKESA-N -1 0 308.338 -0.432 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000422723745 380295863 /nfs/dbraw/zinc/29/58/63/380295863.db2.gz SHPAKFBBJJWNHV-PWSUYJOCSA-N -1 0 322.365 -0.123 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000422703190 380296133 /nfs/dbraw/zinc/29/61/33/380296133.db2.gz MKADFORCEUVKSS-ZJUUUORDSA-N -1 0 313.354 -0.850 20 0 DBADRM COC(=O)[C@@H]1CCCN(C(=O)C(=O)N(C)CCCC(=O)[O-])C1 ZINC000422727963 380296745 /nfs/dbraw/zinc/29/67/45/380296745.db2.gz DWLFAQOUNNAFBG-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N(C)CC1(O)CCCC1)C(=O)[O-] ZINC000422828446 380298644 /nfs/dbraw/zinc/29/86/44/380298644.db2.gz BAAKHGJXQASGJW-SNVBAGLBSA-N -1 0 300.355 -0.071 20 0 DBADRM CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000422848408 380299779 /nfs/dbraw/zinc/29/97/79/380299779.db2.gz SXINYEDIWRIFAN-VHSXEESVSA-N -1 0 314.338 -0.280 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000422831887 380299835 /nfs/dbraw/zinc/29/98/35/380299835.db2.gz FLBCBECUAJSGPN-QWRGUYRKSA-N -1 0 300.355 -0.071 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C[C@H]1OC ZINC000422854797 380299844 /nfs/dbraw/zinc/29/98/44/380299844.db2.gz DAIGUEKYFJPIMB-GMTAPVOTSA-N -1 0 314.338 -0.818 20 0 DBADRM CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000422848409 380300416 /nfs/dbraw/zinc/30/04/16/380300416.db2.gz SXINYEDIWRIFAN-ZJUUUORDSA-N -1 0 314.338 -0.280 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000422877739 380301582 /nfs/dbraw/zinc/30/15/82/380301582.db2.gz IEQGECIYPDLVEK-XPTSAGLGSA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000422857554 380301906 /nfs/dbraw/zinc/30/19/06/380301906.db2.gz YOVAGKZCKPRQRW-UWVGGRQHSA-N -1 0 314.338 -0.280 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)C1 ZINC000422861006 380302303 /nfs/dbraw/zinc/30/23/03/380302303.db2.gz ISAISMKJNXNMQQ-HFAKWTLXSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000422929682 380303263 /nfs/dbraw/zinc/30/32/63/380303263.db2.gz RAUPYQJQJOXMQA-HFAKWTLXSA-N -1 0 312.366 -0.071 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N(C)CCCC(=O)[O-])[C@@H]1C ZINC000422921900 380303636 /nfs/dbraw/zinc/30/36/36/380303636.db2.gz PJXVQBLZTACPED-NXEZZACHSA-N -1 0 314.338 -0.280 20 0 DBADRM COCCN(C(=O)C(=O)N(C)CCC(=O)[O-])[C@H]1CCOC1 ZINC000422884231 380303964 /nfs/dbraw/zinc/30/39/64/380303964.db2.gz WNKINELYJRITKX-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCSC[C@H]1CCO ZINC000422899614 380304613 /nfs/dbraw/zinc/30/46/13/380304613.db2.gz HWLDRNXLBSUMGP-SECBINFHSA-N -1 0 304.368 -0.754 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCc2nnc[nH]2)cn1 ZINC000626820695 380381427 /nfs/dbraw/zinc/38/14/27/380381427.db2.gz VLMFBQDLVWCWFF-UHFFFAOYSA-N -1 0 324.366 -0.066 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1)C(=O)[O-] ZINC000424491604 380391477 /nfs/dbraw/zinc/39/14/77/380391477.db2.gz YICGEXSTGZQDJM-DTWKUNHWSA-N -1 0 313.354 -0.626 20 0 DBADRM CCC[C@@H](NC(=O)[C@H](CCC)S(N)(=O)=O)c1nnn[n-]1 ZINC000612061408 380356110 /nfs/dbraw/zinc/35/61/10/380356110.db2.gz PFLGYHPZVBMVCG-SFYZADRCSA-N -1 0 304.376 -0.386 20 0 DBADRM O=C(NCC1(CO)COC1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000612746944 380439245 /nfs/dbraw/zinc/43/92/45/380439245.db2.gz KWJNGQWZLRRYAA-UHFFFAOYSA-N -1 0 305.290 -0.231 20 0 DBADRM CN1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1=O ZINC000119248438 380420672 /nfs/dbraw/zinc/42/06/72/380420672.db2.gz LUOUKNGFWQULLI-UHFFFAOYSA-N -1 0 308.363 -0.218 20 0 DBADRM CC1(c2nc(=NC(=O)Cn3cnc(C(N)=O)n3)s[n-]2)CC1 ZINC000628540393 380515590 /nfs/dbraw/zinc/51/55/90/380515590.db2.gz RYTRMDYYODRGJW-UHFFFAOYSA-N -1 0 307.339 -0.659 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N=c1nc(C2(C)CC2)[n-]s1)C(N)=O ZINC000628539967 380515642 /nfs/dbraw/zinc/51/56/42/380515642.db2.gz OJQUEQGHLMITRJ-ZETCQYMHSA-N -1 0 311.367 -0.670 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@H]2CO)c1 ZINC000613031142 380469748 /nfs/dbraw/zinc/46/97/48/380469748.db2.gz VGXAUVYYBFHOLK-QMMMGPOBSA-N -1 0 300.336 -0.364 20 0 DBADRM CC[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@@H]1O ZINC000613098183 380477275 /nfs/dbraw/zinc/47/72/75/380477275.db2.gz QDNSBMJFBNMPGD-UFBFGSQYSA-N -1 0 314.363 -0.118 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C1(C(N)=O)CCC1 ZINC000613199032 380584883 /nfs/dbraw/zinc/58/48/83/380584883.db2.gz KVWWHSXQSSJPSG-UHFFFAOYSA-N -1 0 319.364 -0.384 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCOC1)NS(=O)(=O)[C@@H]1CCOC1 ZINC000629337669 380630410 /nfs/dbraw/zinc/63/04/10/380630410.db2.gz BPPASJFWUWRURR-MXWKQRLJSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])Cc1ccc(CNS(=O)(=O)N2CCOCC2)cc1 ZINC000629334408 380630599 /nfs/dbraw/zinc/63/05/99/380630599.db2.gz NENCAVYSKJKAJJ-UHFFFAOYSA-N -1 0 314.363 -0.020 20 0 DBADRM O=C([O-])[C@@H](C[C@@H]1CCCOC1)NS(=O)(=O)N1CCOCC1 ZINC000629339303 380631946 /nfs/dbraw/zinc/63/19/46/380631946.db2.gz SPHMEVPGEBYSQS-WDEREUQCSA-N -1 0 322.383 -0.577 20 0 DBADRM COC(=O)Cn1cc(NC(=O)c2cnc([O-])n(C)c2=O)cn1 ZINC000435228117 380586918 /nfs/dbraw/zinc/58/69/18/380586918.db2.gz XMLFFVHWUBHAPR-UHFFFAOYSA-N -1 0 307.266 -0.892 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])n1C ZINC000629292454 380621750 /nfs/dbraw/zinc/62/17/50/380621750.db2.gz MRCHKFWCTBNBLR-VIFPVBQESA-N -1 0 313.339 -0.574 20 0 DBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2cnc(C)n2C)cn1 ZINC000629287564 380621785 /nfs/dbraw/zinc/62/17/85/380621785.db2.gz PZDHJQFFUCSILD-UHFFFAOYSA-N -1 0 312.355 -0.528 20 0 DBADRM C[C@@H]1CN(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)C[C@H](C)O1 ZINC000629302350 380623932 /nfs/dbraw/zinc/62/39/32/380623932.db2.gz CJULCUULLJAITE-ZRUFSTJUSA-N -1 0 313.354 -0.134 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1cccc(O[C@H]2CC(=O)N2)c1 ZINC000629300070 380624104 /nfs/dbraw/zinc/62/41/04/380624104.db2.gz ARNGWFVAUKPDGN-NSHDSACASA-N -1 0 323.334 -0.159 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1)C1CC1 ZINC000629303506 380624324 /nfs/dbraw/zinc/62/43/24/380624324.db2.gz KISVDTALKCOESW-MNOVXSKESA-N -1 0 307.368 -0.083 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC[C@@H](O)C(=O)[O-])c1ccc(F)cc1 ZINC000629304748 380624382 /nfs/dbraw/zinc/62/43/82/380624382.db2.gz OSEMFGHKOJVZOY-MNOVXSKESA-N -1 0 321.326 -0.122 20 0 DBADRM COCCN(C)S(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000629313556 380625220 /nfs/dbraw/zinc/62/52/20/380625220.db2.gz BFHCYAMRKJBSNH-UHFFFAOYSA-N -1 0 304.328 -0.913 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC000629307346 380625241 /nfs/dbraw/zinc/62/52/41/380625241.db2.gz CUNIRFBMAVACSS-GXSJLCMTSA-N -1 0 310.372 -0.627 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)n1C ZINC000629306336 380625277 /nfs/dbraw/zinc/62/52/77/380625277.db2.gz YXSTZKFKAMZHRP-SNVBAGLBSA-N -1 0 313.339 -0.434 20 0 DBADRM O=C([O-])c1cnc(CNS(=O)(=O)N2CCCCC2)nc1 ZINC000629314160 380625351 /nfs/dbraw/zinc/62/53/51/380625351.db2.gz HTJVIEFAMFFBKF-UHFFFAOYSA-N -1 0 300.340 -0.005 20 0 DBADRM C[C@H]1OCC[C@H]1S(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000629314210 380625411 /nfs/dbraw/zinc/62/54/11/380625411.db2.gz RIIUTMGLSWHBMX-VXNVDRBHSA-N -1 0 301.324 -0.228 20 0 DBADRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)N1CCS(=O)(=O)CC1 ZINC000629305768 380625524 /nfs/dbraw/zinc/62/55/24/380625524.db2.gz WJJXYSKEKGBDJK-SSDOTTSWSA-N -1 0 312.294 -0.369 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)[C@](C)(C(=O)[O-])C1 ZINC000629310404 380625537 /nfs/dbraw/zinc/62/55/37/380625537.db2.gz RPMNJONTOSHHAE-KWQFWETISA-N -1 0 303.340 -0.327 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2c[nH]c(C)n2)[C@@](C)(C(=O)[O-])C1 ZINC000629310481 380625610 /nfs/dbraw/zinc/62/56/10/380625610.db2.gz SPWVMJYSXKGDTF-LDYMZIIASA-N -1 0 303.340 -0.029 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2cn(C)c(C)n2)[C@@](C)(C(=O)[O-])C1 ZINC000629310210 380626732 /nfs/dbraw/zinc/62/67/32/380626732.db2.gz PIEMPFWONDCHOY-BXKDBHETSA-N -1 0 317.367 -0.019 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)[C@H](C)C(=O)N(C)C)[C@](C)(C(=O)[O-])C1 ZINC000629308550 380627217 /nfs/dbraw/zinc/62/72/17/380627217.db2.gz RQICYOLRBIKWSE-PTRXPTGYSA-N -1 0 322.383 -0.643 20 0 DBADRM CN(C)S(=O)(=O)N1CC(NC(=O)c2cccc3n[nH]nc32)C1 ZINC000629532862 380661853 /nfs/dbraw/zinc/66/18/53/380661853.db2.gz WVZYESRYTSWJNF-UHFFFAOYSA-N -1 0 324.366 -0.822 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC000613225428 380695884 /nfs/dbraw/zinc/69/58/84/380695884.db2.gz IZCKPZINIKJSOW-MRVPVSSYSA-N -1 0 302.356 -0.721 20 0 DBADRM CCNC(=O)N1CC[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000195394427 380717163 /nfs/dbraw/zinc/71/71/63/380717163.db2.gz BXYOWCFMNHEGGP-SSDOTTSWSA-N -1 0 318.321 -0.224 20 0 DBADRM C[C@@H]1CN(c2ccc(C(=O)NCCO)nn2)CC[C@@H]1C(=O)[O-] ZINC000629768615 380717215 /nfs/dbraw/zinc/71/72/15/380717215.db2.gz KNFHGQXXAMPVJX-ZJUUUORDSA-N -1 0 308.338 -0.254 20 0 DBADRM O=C1C[C@H](NS(=O)(=O)[N-]CC(F)(F)F)CN1C1CC1 ZINC000195333721 380717558 /nfs/dbraw/zinc/71/75/58/380717558.db2.gz AJEYTJARPCDRGD-LURJTMIESA-N -1 0 301.290 -0.264 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1C(=O)[O-] ZINC000629776320 380718221 /nfs/dbraw/zinc/71/82/21/380718221.db2.gz MGSPLQAZEAAFEK-YFKTTZPYSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](C)(O)C2)CC[C@@H]1C(=O)[O-] ZINC000629777546 380718630 /nfs/dbraw/zinc/71/86/30/380718630.db2.gz SKHBJFUSTHJHRQ-ZETOZRRWSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCn3cncc3C2)CC[C@H]1C(=O)[O-] ZINC000629780108 380719245 /nfs/dbraw/zinc/71/92/45/380719245.db2.gz DPIYFZGCBLTEGV-CMPLNLGQSA-N -1 0 320.349 -0.206 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)C1 ZINC000629780868 380720012 /nfs/dbraw/zinc/72/00/12/380720012.db2.gz IJVDIUKMSJPDKE-JRPNMDOOSA-N -1 0 310.350 -0.460 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C2CC2)CC[C@H]1C(=O)[O-] ZINC000629781441 380720210 /nfs/dbraw/zinc/72/02/10/380720210.db2.gz NVDBUIOPKGRJMX-JLLWLGSASA-N -1 0 312.366 -0.215 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H]3CCC[C@@H]32)CCO1 ZINC000629782401 380720898 /nfs/dbraw/zinc/72/08/98/380720898.db2.gz DJBIHYLVONVCGA-AXFHLTTASA-N -1 0 312.322 -0.922 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCO[C@H](CCF)C1)C(=O)[O-] ZINC000629782311 380721307 /nfs/dbraw/zinc/72/13/07/380721307.db2.gz UWXUBZXXLIIRAA-NXEZZACHSA-N -1 0 304.318 -0.248 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCO[C@@H](CCF)C1)C(=O)[O-] ZINC000629782313 380721334 /nfs/dbraw/zinc/72/13/34/380721334.db2.gz UWXUBZXXLIIRAA-UWVGGRQHSA-N -1 0 304.318 -0.248 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ncccc2O)C1 ZINC000455781848 380721514 /nfs/dbraw/zinc/72/15/14/380721514.db2.gz GVIBOCVULLZAER-CQSZACIVSA-N -1 0 307.306 -0.160 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c(=O)[n-]1 ZINC000630023758 380819628 /nfs/dbraw/zinc/81/96/28/380819628.db2.gz OTPRHUFOJDIGKK-RNFRBKRXSA-N -1 0 303.344 -0.900 20 0 DBADRM COc1cc(CS(=O)(=O)[N-][C@H]2COCCC2=O)sn1 ZINC000641632045 380956583 /nfs/dbraw/zinc/95/65/83/380956583.db2.gz KKQHNOWPOKQWGP-QMMMGPOBSA-N -1 0 306.365 -0.071 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)N2CC(C(=O)[O-])C2)cc1 ZINC000090033568 381026782 /nfs/dbraw/zinc/02/67/82/381026782.db2.gz ZFWNTXBNPHHWHM-UHFFFAOYSA-N -1 0 313.335 -0.440 20 0 DBADRM NS(=O)(=O)c1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c1 ZINC000222496299 381071408 /nfs/dbraw/zinc/07/14/08/381071408.db2.gz RLICVFNNTAQXHG-ZJUUUORDSA-N -1 0 314.319 -0.095 20 0 DBADRM COCc1nc(=NC(=O)CN2CCN(C3CC3)C2=O)s[n-]1 ZINC000613451048 381093719 /nfs/dbraw/zinc/09/37/19/381093719.db2.gz JTSHZMJTVMBBNK-UHFFFAOYSA-N -1 0 311.367 -0.055 20 0 DBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCCOCC(N)=O ZINC000230956396 381104067 /nfs/dbraw/zinc/10/40/67/381104067.db2.gz BPBJNYNUKSXVDW-UHFFFAOYSA-N -1 0 316.335 -0.527 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCOCC(N)=O)cc1C(=O)[O-] ZINC000230956438 381104652 /nfs/dbraw/zinc/10/46/52/381104652.db2.gz JIZBNZICZKUCPY-UHFFFAOYSA-N -1 0 316.335 -0.527 20 0 DBADRM O=C(CN1CC[C@H](c2ccccc2)NC1=O)NCc1nnn[n-]1 ZINC000613539304 381138526 /nfs/dbraw/zinc/13/85/26/381138526.db2.gz VYFARRIWYIZCGQ-LLVKDONJSA-N -1 0 315.337 -0.028 20 0 DBADRM O=C([O-])Cn1cc(CNC(=O)c2cn3ccccc3n2)nn1 ZINC000316568116 381147489 /nfs/dbraw/zinc/14/74/89/381147489.db2.gz GCRSUIAYWFQFQN-UHFFFAOYSA-N -1 0 300.278 -0.060 20 0 DBADRM C[C@@H]1COCCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000614053116 381215890 /nfs/dbraw/zinc/21/58/90/381215890.db2.gz AUHGHOALUOESBI-MRVPVSSYSA-N -1 0 300.336 -0.100 20 0 DBADRM Cn1[n-]c(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1=O ZINC000614494468 381259950 /nfs/dbraw/zinc/25/99/50/381259950.db2.gz LEZRLTGCUNUQDL-BDAKNGLRSA-N -1 0 316.383 -0.427 20 0 DBADRM O=C(N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)C1(n2cnnn2)CC1 ZINC000614517641 381269038 /nfs/dbraw/zinc/26/90/38/381269038.db2.gz AZPZRWHWWMXDRR-MRVPVSSYSA-N -1 0 304.314 -0.608 20 0 DBADRM O=C(c1ccn2nnnc2c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000614518393 381269447 /nfs/dbraw/zinc/26/94/47/381269447.db2.gz GMMFKRXNMVBKCC-SECBINFHSA-N -1 0 314.309 -0.032 20 0 DBADRM O=C(c1ccn2nnnc2c1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000614259530 381241531 /nfs/dbraw/zinc/24/15/31/381241531.db2.gz LCGXLRSNGSXOPN-UHFFFAOYSA-N -1 0 314.309 -0.032 20 0 DBADRM COC(=O)c1c(C)cccc1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000614313506 381244523 /nfs/dbraw/zinc/24/45/23/381244523.db2.gz NINNLGMLJQCEOP-MRVPVSSYSA-N -1 0 317.319 -0.495 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)C(=O)[O-] ZINC000614348091 381245765 /nfs/dbraw/zinc/24/57/65/381245765.db2.gz GNNHDULZXYGENC-VHSXEESVSA-N -1 0 323.367 -0.119 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)N(CCO)CCC(=O)[O-])c1 ZINC000614375889 381248271 /nfs/dbraw/zinc/24/82/71/381248271.db2.gz AXDSAJHTLOYQTI-UHFFFAOYSA-N -1 0 321.307 -0.476 20 0 DBADRM Cn1nc(C(F)(F)F)cc1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000530140742 381292834 /nfs/dbraw/zinc/29/28/34/381292834.db2.gz OYDHYNMSQVBBRF-SCSAIBSYSA-N -1 0 317.245 -0.837 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000530152015 381293933 /nfs/dbraw/zinc/29/39/33/381293933.db2.gz VJMZFLJSEXMBAC-NSHDSACASA-N -1 0 303.340 -0.407 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)CC[C@@H]2CCOC2)C1 ZINC000530149275 381293953 /nfs/dbraw/zinc/29/39/53/381293953.db2.gz ANTKSNQHYCDKCD-CMPLNLGQSA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCC23CC(C2)CO3)cn1 ZINC000530152496 381294112 /nfs/dbraw/zinc/29/41/12/381294112.db2.gz TTYZPAHVJFOPQQ-UHFFFAOYSA-N -1 0 301.324 -0.575 20 0 DBADRM CCn1ncc(CNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])n1 ZINC000530149587 381294235 /nfs/dbraw/zinc/29/42/35/381294235.db2.gz FEMUDZFNELZXPZ-SECBINFHSA-N -1 0 303.344 -0.819 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C1CC1 ZINC000530149350 381294468 /nfs/dbraw/zinc/29/44/68/381294468.db2.gz GQKOAOCZBSRCJB-MIMYLULJSA-N -1 0 307.368 -0.085 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530152325 381294725 /nfs/dbraw/zinc/29/47/25/381294725.db2.gz QOTZVBVJKKXJMW-MUWHJKNJSA-N -1 0 303.340 -0.111 20 0 DBADRM CCn1nncc1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000530148663 381294743 /nfs/dbraw/zinc/29/47/43/381294743.db2.gz JQKQQWUURSNQJM-UHFFFAOYSA-N -1 0 317.371 -0.571 20 0 DBADRM C[C@@H](NS(=O)(=O)c1c(C(=O)[O-])cnn1C)c1cnn(C)c1 ZINC000530155323 381295841 /nfs/dbraw/zinc/29/58/41/381295841.db2.gz RIVBDHYDJGQDSB-SSDOTTSWSA-N -1 0 313.339 -0.109 20 0 DBADRM CCn1ncc(CNS(=O)(=O)c2cccnc2C(=O)[O-])n1 ZINC000530153436 381296204 /nfs/dbraw/zinc/29/62/04/381296204.db2.gz VCJFLMMGAVUYEV-UHFFFAOYSA-N -1 0 311.323 -0.130 20 0 DBADRM COC[C@@H]1CCN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)C1 ZINC000530155382 381296217 /nfs/dbraw/zinc/29/62/17/381296217.db2.gz SUEFUENFJFFXAA-MRVPVSSYSA-N -1 0 303.340 -0.225 20 0 DBADRM COC1CCN(C(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000530354364 381306824 /nfs/dbraw/zinc/30/68/24/381306824.db2.gz RPKDMPOTZQLCDO-SNVBAGLBSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)N1CCCCC1=O ZINC000530294337 381302447 /nfs/dbraw/zinc/30/24/47/381302447.db2.gz CTMQUVVUNXJSLP-SECBINFHSA-N -1 0 308.338 -0.383 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)N1CCCCC1=O ZINC000530294338 381302915 /nfs/dbraw/zinc/30/29/15/381302915.db2.gz CTMQUVVUNXJSLP-VIFPVBQESA-N -1 0 308.338 -0.383 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCC(=O)NCc2ccco2)O[C@H]1C(=O)[O-] ZINC000630110413 381322572 /nfs/dbraw/zinc/32/25/72/381322572.db2.gz CFQUVVIEODFPCH-HLUHBDAQSA-N -1 0 310.306 -0.110 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)Cn2cc(C(=O)[O-])cn2)C1=O ZINC000630123003 381326271 /nfs/dbraw/zinc/32/62/71/381326271.db2.gz OHFBOFUWDDNIQW-VIFPVBQESA-N -1 0 308.294 -0.767 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000538502679 381332712 /nfs/dbraw/zinc/33/27/12/381332712.db2.gz FTAXICMGXTXBGB-CQSZACIVSA-N -1 0 313.354 -0.612 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2ccnn2C)CC[C@@H]1C(=O)[O-] ZINC000627263805 381342735 /nfs/dbraw/zinc/34/27/35/381342735.db2.gz JGEPSZLTVQKKRH-KOLCDFICSA-N -1 0 308.338 -0.395 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1C ZINC000530382750 381307487 /nfs/dbraw/zinc/30/74/87/381307487.db2.gz UQFKNXKWRIEMEZ-GMSGAONNSA-N -1 0 305.356 -0.191 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])OC)o1 ZINC000530382345 381307565 /nfs/dbraw/zinc/30/75/65/381307565.db2.gz OPFVNLCLGHBABK-ZETCQYMHSA-N -1 0 321.307 -0.166 20 0 DBADRM Cc1c([C@@H](NS(=O)(=O)[C@H]2CCOC2)C(=O)[O-])cnn1C ZINC000530383050 381307857 /nfs/dbraw/zinc/30/78/57/381307857.db2.gz JEJAYQYDAFZMRH-WCBMZHEXSA-N -1 0 303.340 -0.437 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCC[C@H]1C(=O)OC)[C@@H](C)O ZINC000530379960 381307973 /nfs/dbraw/zinc/30/79/73/381307973.db2.gz YBXHFYLZYGCPIB-DOLQZWNJSA-N -1 0 323.367 -0.830 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN(c2ncccn2)CC1 ZINC000630100184 381310341 /nfs/dbraw/zinc/31/03/41/381310341.db2.gz PILHDSWWWOLAGT-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N(C)C)CC[C@@H]1C(=O)[O-] ZINC000627265110 381347561 /nfs/dbraw/zinc/34/75/61/381347561.db2.gz DSOOKNKOQRRJFC-ZJUUUORDSA-N -1 0 313.354 -0.850 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N(C)C)CC[C@H]1C(=O)[O-] ZINC000627265107 381347904 /nfs/dbraw/zinc/34/79/04/381347904.db2.gz DSOOKNKOQRRJFC-NXEZZACHSA-N -1 0 313.354 -0.850 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC000630148558 381349783 /nfs/dbraw/zinc/34/97/83/381349783.db2.gz ATALFQMIIZLHDB-UHFFFAOYSA-N -1 0 313.335 -0.503 20 0 DBADRM Cn1nccc1COCC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000630164652 381351577 /nfs/dbraw/zinc/35/15/77/381351577.db2.gz YZGHIFXLONCPDK-GXFFZTMASA-N -1 0 311.338 -0.067 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1cncn1C ZINC000630158033 381352337 /nfs/dbraw/zinc/35/23/37/381352337.db2.gz SGCIJTLUTACBLS-SNVBAGLBSA-N -1 0 308.338 -0.185 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cc1ccnn1C ZINC000630156404 381352392 /nfs/dbraw/zinc/35/23/92/381352392.db2.gz MMWUOIBCAUJYTA-NSHDSACASA-N -1 0 322.365 -0.256 20 0 DBADRM O=C([O-])CN(C(=O)CN1CCCS1(=O)=O)C1CCOCC1 ZINC000539607914 381356259 /nfs/dbraw/zinc/35/62/59/381356259.db2.gz FZDJLZNWSHHOAY-UHFFFAOYSA-N -1 0 320.367 -0.886 20 0 DBADRM CN(C)C(=O)NCCN(C)C(=O)CNC(=O)c1ccc(O)cc1 ZINC000539724548 381358692 /nfs/dbraw/zinc/35/86/92/381358692.db2.gz NSNOHDUXLWEHOU-UHFFFAOYSA-N -1 0 322.365 -0.148 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)O[C@H]1C(=O)[O-] ZINC000630199246 381362291 /nfs/dbraw/zinc/36/22/91/381362291.db2.gz FOCLIAJQTDUHFL-UTINFBMNSA-N -1 0 320.367 -0.985 20 0 DBADRM CC(C)(C)n1nnc(CNC(=O)Cn2cc(C(=O)[O-])cn2)n1 ZINC000630203695 381363449 /nfs/dbraw/zinc/36/34/49/381363449.db2.gz WMTJEAYVPKUYMU-UHFFFAOYSA-N -1 0 307.314 -0.361 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)CC1 ZINC000630212216 381365275 /nfs/dbraw/zinc/36/52/75/381365275.db2.gz XDHZAAHUAPPABP-GUBZILKMSA-N -1 0 319.379 -0.052 20 0 DBADRM CN(CC(=O)NCc1ccc(CC(=O)[O-])cc1)S(C)(=O)=O ZINC000630232015 381368465 /nfs/dbraw/zinc/36/84/65/381368465.db2.gz DAQBKZRKROIODO-UHFFFAOYSA-N -1 0 314.363 -0.179 20 0 DBADRM CC(C)[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000037432925 381368656 /nfs/dbraw/zinc/36/86/56/381368656.db2.gz AUUFTCXCNDOVOU-UWVGGRQHSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000630235628 381368872 /nfs/dbraw/zinc/36/88/72/381368872.db2.gz FTXFJWSQPCYQCQ-VHSXEESVSA-N -1 0 302.352 -0.657 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CCC1 ZINC000630235836 381369278 /nfs/dbraw/zinc/36/92/78/381369278.db2.gz IXXHFTDUFIXVGB-UHFFFAOYSA-N -1 0 316.379 -0.122 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2CCc3occc3[C@H]2C(=O)[O-])c1=O ZINC000630237365 381369374 /nfs/dbraw/zinc/36/93/74/381369374.db2.gz AOAYREBDAPXKGK-JTQLQIEISA-N -1 0 319.273 -0.097 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CCN2CCCS2(=O)=O)C1 ZINC000630251094 381374636 /nfs/dbraw/zinc/37/46/36/381374636.db2.gz CQZVHAQBGLJGQQ-LBPRGKRZSA-N -1 0 320.367 -0.886 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000630249810 381375082 /nfs/dbraw/zinc/37/50/82/381375082.db2.gz OPWYOEKDCRWUHY-AWEZNQCLSA-N -1 0 320.305 -0.802 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000630274793 381379723 /nfs/dbraw/zinc/37/97/23/381379723.db2.gz ZMUXESOMPIXCCD-NXEZZACHSA-N -1 0 322.383 -0.736 20 0 DBADRM O=C([O-])COCCNC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000630262458 381377019 /nfs/dbraw/zinc/37/70/19/381377019.db2.gz NEUPYWKFZCGWLY-NSHDSACASA-N -1 0 308.290 -0.006 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]2CCC[C@@H]21 ZINC000630285670 381379596 /nfs/dbraw/zinc/37/95/96/381379596.db2.gz ROWOOWAKDKEKKX-ZNSHCXBVSA-N -1 0 316.379 -0.220 20 0 DBADRM CC(C)[C@@H](C(=O)NCCOCC(=O)[O-])N1CCCS1(=O)=O ZINC000630262774 381377762 /nfs/dbraw/zinc/37/77/62/381377762.db2.gz QMCRNNKRHXDPQT-NSHDSACASA-N -1 0 322.383 -0.736 20 0 DBADRM O=C([O-])COCCNC(=O)CCNC(=O)Cc1ccccc1 ZINC000630261757 381377786 /nfs/dbraw/zinc/37/77/86/381377786.db2.gz AYHWZMJZJKFKRI-UHFFFAOYSA-N -1 0 308.334 -0.047 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC(C)(C)[C@@H]1C(=O)[O-] ZINC000630426085 381412596 /nfs/dbraw/zinc/41/25/96/381412596.db2.gz DLOWBTDJDNBWQO-JTQLQIEISA-N -1 0 324.399 -0.379 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000627267330 381382260 /nfs/dbraw/zinc/38/22/60/381382260.db2.gz MRCYDEMZJDMJPK-GMTAPVOTSA-N -1 0 300.355 -0.046 20 0 DBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000630441700 381416183 /nfs/dbraw/zinc/41/61/83/381416183.db2.gz QQLADFJLMUACOU-SCZZXKLOSA-N -1 0 302.352 -0.514 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)[C@@](C)(C(=O)[O-])C1 ZINC000630315939 381390147 /nfs/dbraw/zinc/39/01/47/381390147.db2.gz ZNAKRGPDWTYWJL-HOTUBEGUSA-N -1 0 305.352 -0.488 20 0 DBADRM NC(=O)c1ccc(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)nc1 ZINC000630336418 381390210 /nfs/dbraw/zinc/39/02/10/381390210.db2.gz PKGQUJVFWGRQRA-CQSZACIVSA-N -1 0 307.306 -0.208 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000627269102 381445138 /nfs/dbraw/zinc/44/51/38/381445138.db2.gz MYZNRQKOQUDVML-CMPLNLGQSA-N -1 0 322.365 -0.123 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000627269606 381446058 /nfs/dbraw/zinc/44/60/58/381446058.db2.gz VAKHMLSIILGPEI-MXWKQRLJSA-N -1 0 323.353 -0.648 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)[C@H]2CCOC2)C(=O)[O-])c1 ZINC000547556719 381485053 /nfs/dbraw/zinc/48/50/53/381485053.db2.gz CFMWNJAUIPQPIX-VHSXEESVSA-N -1 0 303.340 -0.647 20 0 DBADRM COCCOCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547555239 381485100 /nfs/dbraw/zinc/48/51/00/381485100.db2.gz HNEOFHIMNWFQDF-VHSXEESVSA-N -1 0 311.356 -0.942 20 0 DBADRM N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000547554428 381485131 /nfs/dbraw/zinc/48/51/31/381485131.db2.gz UBWCLMATZUJHAE-QMMMGPOBSA-N -1 0 304.711 -0.065 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000547556859 381485415 /nfs/dbraw/zinc/48/54/15/381485415.db2.gz DBSCNKLXXMCYGN-IUCAKERBSA-N -1 0 303.340 -0.422 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])cn1 ZINC000547551765 381484444 /nfs/dbraw/zinc/48/44/44/381484444.db2.gz MLTUPESBKRURIH-WCBMZHEXSA-N -1 0 303.340 -0.422 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000547546855 381484552 /nfs/dbraw/zinc/48/45/52/381484552.db2.gz AVZBLNHSQXWMKZ-WPRPVWTQSA-N -1 0 302.356 -0.276 20 0 DBADRM COCCCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1c1cnn(C)c1 ZINC000630650784 381470687 /nfs/dbraw/zinc/47/06/87/381470687.db2.gz QBRBFSRWFDSTHV-RYUDHWBXSA-N -1 0 310.354 -0.005 20 0 DBADRM CCCN(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000547919131 381503471 /nfs/dbraw/zinc/50/34/71/381503471.db2.gz ZBRRRDKOABNXLQ-RKDXNWHRSA-N -1 0 307.372 -0.777 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCCOCC(=O)[O-])cn1 ZINC000547935574 381503508 /nfs/dbraw/zinc/50/35/08/381503508.db2.gz JIZXJWLRZHLUDE-UHFFFAOYSA-N -1 0 318.307 -0.752 20 0 DBADRM CC1(C)CN(S(=O)(=O)NCCSCC(=O)[O-])CCO1 ZINC000547913569 381504288 /nfs/dbraw/zinc/50/42/88/381504288.db2.gz TVPSAPWOSPMSAD-UHFFFAOYSA-N -1 0 312.413 -0.251 20 0 DBADRM Cc1nc(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])cn1C ZINC000547914200 381504373 /nfs/dbraw/zinc/50/43/73/381504373.db2.gz YZJRIYJTQSUSJN-MRVPVSSYSA-N -1 0 305.356 -0.425 20 0 DBADRM CC(C)OCCS(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000547928929 381504504 /nfs/dbraw/zinc/50/45/04/381504504.db2.gz HSWHBILMFKOFLP-LZVRBXCZSA-N -1 0 313.397 -0.741 20 0 DBADRM C[C@@](CO)(CNS(=O)(=O)C[C@H]1CCCCO1)CC(=O)[O-] ZINC000548030000 381511210 /nfs/dbraw/zinc/51/12/10/381511210.db2.gz QBBXQOXSIFVULI-PWSUYJOCSA-N -1 0 309.384 -0.052 20 0 DBADRM Cc1[nH]nc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C ZINC000135800255 381513143 /nfs/dbraw/zinc/51/31/43/381513143.db2.gz RVVXJLNBFVFFBV-UHFFFAOYSA-N -1 0 313.339 -0.775 20 0 DBADRM COCc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1 ZINC000548199999 381517531 /nfs/dbraw/zinc/51/75/31/381517531.db2.gz UKSOUJRQZLIWHI-SNVBAGLBSA-N -1 0 316.335 -0.560 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000548198422 381518303 /nfs/dbraw/zinc/51/83/03/381518303.db2.gz QJSHHEFPTNIGBE-SCZZXKLOSA-N -1 0 305.356 -0.250 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548202355 381519292 /nfs/dbraw/zinc/51/92/92/381519292.db2.gz IPJNWYIWOINQBX-RKDXNWHRSA-N -1 0 303.340 -0.124 20 0 DBADRM CCN(CC)S(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000548228720 381519306 /nfs/dbraw/zinc/51/93/06/381519306.db2.gz JVIQEMRXVCQHKI-LLVKDONJSA-N -1 0 318.399 -0.160 20 0 DBADRM COC[C@H](NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC)C(=O)[O-] ZINC000548218471 381519403 /nfs/dbraw/zinc/51/94/03/381519403.db2.gz ZFXQYHYEEUCJMI-LPEHRKFASA-N -1 0 323.367 -0.263 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)Cc1cccc(F)c1)C(=O)[O-] ZINC000547559031 381485677 /nfs/dbraw/zinc/48/56/77/381485677.db2.gz TXKABTXBASUUGY-SECBINFHSA-N -1 0 304.299 -0.426 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC000547577328 381486802 /nfs/dbraw/zinc/48/68/02/381486802.db2.gz YYQCAMOLRYXJCA-ZCFIWIBFSA-N -1 0 307.280 -0.556 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-] ZINC000547566033 381486933 /nfs/dbraw/zinc/48/69/33/381486933.db2.gz SMVZWWLNVXOFSY-SECBINFHSA-N -1 0 302.308 -0.837 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C)cnc1N ZINC000547586977 381487167 /nfs/dbraw/zinc/48/71/67/381487167.db2.gz UFEBPAPDIJDSCU-QMMMGPOBSA-N -1 0 303.340 -0.308 20 0 DBADRM Nc1cccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c1 ZINC000547605023 381488403 /nfs/dbraw/zinc/48/84/03/381488403.db2.gz LSEQKRXTHNBNIB-APBUJDDRSA-N -1 0 318.376 -0.525 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-] ZINC000547616717 381488647 /nfs/dbraw/zinc/48/86/47/381488647.db2.gz AUTMLNRLPZUADA-MNOVXSKESA-N -1 0 313.335 -0.154 20 0 DBADRM O=C([O-])C[C@H](NS(=O)(=O)c1c[nH]cn1)C1CCOCC1 ZINC000547612164 381488690 /nfs/dbraw/zinc/48/86/90/381488690.db2.gz ZUHUSUABGGASTN-VIFPVBQESA-N -1 0 303.340 -0.042 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)cn1C ZINC000548205471 381519921 /nfs/dbraw/zinc/51/99/21/381519921.db2.gz ZVPZFUKLIBUSSY-WPRPVWTQSA-N -1 0 303.340 -0.503 20 0 DBADRM CC1(C)CN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)CCO1 ZINC000547873815 381499289 /nfs/dbraw/zinc/49/92/89/381499289.db2.gz AENZECRXKFCZPW-NXEZZACHSA-N -1 0 322.383 -0.579 20 0 DBADRM COCc1ccccc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000547869392 381499657 /nfs/dbraw/zinc/49/96/57/381499657.db2.gz GFUUOKDFUKYLED-UHFFFAOYSA-N -1 0 316.335 -0.688 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC000547868782 381500213 /nfs/dbraw/zinc/50/02/13/381500213.db2.gz MKPHTZRKYNWQBP-BBBLOLIVSA-N -1 0 323.367 -0.527 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000547871208 381500642 /nfs/dbraw/zinc/50/06/42/381500642.db2.gz KNCYAKSTZSAFKX-PSASIEDQSA-N -1 0 315.351 -0.260 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000548222867 381520205 /nfs/dbraw/zinc/52/02/05/381520205.db2.gz KCFZPOZWIISFHV-NXEZZACHSA-N -1 0 322.383 -0.736 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548201723 381520227 /nfs/dbraw/zinc/52/02/27/381520227.db2.gz SBTXTHGHVRLBLN-ZJUUUORDSA-N -1 0 310.372 -0.721 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-] ZINC000547882777 381501284 /nfs/dbraw/zinc/50/12/84/381501284.db2.gz WFCBFEVMWKROGK-VIFPVBQESA-N -1 0 308.356 -0.431 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cc(Cl)cnc1N)C(=O)[O-] ZINC000547895583 381501564 /nfs/dbraw/zinc/50/15/64/381501564.db2.gz HDOOSLZCGXUIOR-ZCFIWIBFSA-N -1 0 309.731 -0.305 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N[C@@H](CCO)C(=O)[O-])CC1 ZINC000548536727 381537507 /nfs/dbraw/zinc/53/75/07/381537507.db2.gz QRAPWFOWKPPNCH-QMMMGPOBSA-N -1 0 309.340 -0.915 20 0 DBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000548578078 381538941 /nfs/dbraw/zinc/53/89/41/381538941.db2.gz LKDIYXDTUFUSIS-OUAUKWLOSA-N -1 0 324.399 -0.238 20 0 DBADRM CCCCN(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000548580332 381539285 /nfs/dbraw/zinc/53/92/85/381539285.db2.gz UTPMWOJQKDUHLQ-NXEZZACHSA-N -1 0 321.399 -0.386 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)C1 ZINC000548576864 381539899 /nfs/dbraw/zinc/53/98/99/381539899.db2.gz RFDOMUDWJXAGRF-UTLUCORTSA-N -1 0 319.383 -0.777 20 0 DBADRM CC[C@H](C)CS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000548584796 381541211 /nfs/dbraw/zinc/54/12/11/381541211.db2.gz FYDVMONKKZJTFF-DTWKUNHWSA-N -1 0 313.397 -0.454 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000548592834 381541612 /nfs/dbraw/zinc/54/16/12/381541612.db2.gz UAXKZRXWMAZELR-PSASIEDQSA-N -1 0 305.356 -0.379 20 0 DBADRM CC(C)CS(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000548586440 381541751 /nfs/dbraw/zinc/54/17/51/381541751.db2.gz VNRTZHCKISDRRD-QWRGUYRKSA-N -1 0 318.395 -0.020 20 0 DBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)N1CCCCCC1 ZINC000548586896 381541823 /nfs/dbraw/zinc/54/18/23/381541823.db2.gz MSMXUNLSRAIALN-OVWNDWIMSA-N -1 0 324.424 -0.375 20 0 DBADRM CCOC(=O)CCS(=O)(=O)NC[C@](C)(CO)CC(=O)[O-] ZINC000548356354 381529081 /nfs/dbraw/zinc/52/90/81/381529081.db2.gz GSZDHPCIHIKDLY-LLVKDONJSA-N -1 0 311.356 -0.668 20 0 DBADRM C[C@H]1C[C@H](C)CN(S(=O)(=O)NCCc2nc(=O)o[n-]2)C1 ZINC000548418720 381530175 /nfs/dbraw/zinc/53/01/75/381530175.db2.gz NURTXLSCDHSHSP-IUCAKERBSA-N -1 0 304.372 -0.282 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(=O)[O-] ZINC000548533110 381535325 /nfs/dbraw/zinc/53/53/25/381535325.db2.gz BVOSQOGTPCACBI-UWVGGRQHSA-N -1 0 323.367 -0.119 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000548533026 381535492 /nfs/dbraw/zinc/53/54/92/381535492.db2.gz XVCCBYFRBROEGH-NTSWFWBYSA-N -1 0 303.283 -0.177 20 0 DBADRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000548532043 381535906 /nfs/dbraw/zinc/53/59/06/381535906.db2.gz CJAMIYLRHKHQOV-SNVBAGLBSA-N -1 0 319.383 -0.120 20 0 DBADRM COCCN(C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)[O-] ZINC000551238998 381577792 /nfs/dbraw/zinc/57/77/92/381577792.db2.gz XRHWTQXPCAAAAF-ZJUUUORDSA-N -1 0 322.383 -0.353 20 0 DBADRM COCCN(C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)[O-] ZINC000551238995 381578986 /nfs/dbraw/zinc/57/89/86/381578986.db2.gz XRHWTQXPCAAAAF-NXEZZACHSA-N -1 0 322.383 -0.353 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)C(=O)N(C)C ZINC000627273716 381554425 /nfs/dbraw/zinc/55/44/25/381554425.db2.gz JVDCCSMNRFJNRE-KXUCPTDWSA-N -1 0 313.354 -0.852 20 0 DBADRM O=C([O-])C[C@@H](CNS(=O)(=O)N1CCOCC1)C(F)(F)F ZINC000551915336 381591768 /nfs/dbraw/zinc/59/17/68/381591768.db2.gz PXFUBSYHSCYCOJ-ZETCQYMHSA-N -1 0 320.289 -0.194 20 0 DBADRM COC(=O)c1sccc1S(=O)(=O)NCCOCC(=O)[O-] ZINC000093228485 381618800 /nfs/dbraw/zinc/61/88/00/381618800.db2.gz BCPYAUIKYCAUFK-UHFFFAOYSA-N -1 0 323.348 -0.086 20 0 DBADRM CCOC[C@@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])CCO1 ZINC000627276355 381619170 /nfs/dbraw/zinc/61/91/70/381619170.db2.gz BVVWLTHYZLXYFT-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Cn1nc2ccccn2c1=O ZINC000262381213 381625631 /nfs/dbraw/zinc/62/56/31/381625631.db2.gz YTOZRFJSZQEEOK-NXEZZACHSA-N -1 0 304.306 -0.182 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCCn2ccnc2)C[C@@H]1C(=O)[O-] ZINC000566243275 381647080 /nfs/dbraw/zinc/64/70/80/381647080.db2.gz SGEQSMHPYWOURM-RYUDHWBXSA-N -1 0 322.365 -0.041 20 0 DBADRM CC(C)Nc1nc(NCCO)nc(SCCC(=O)[O-])n1 ZINC000566295820 381649556 /nfs/dbraw/zinc/64/95/56/381649556.db2.gz YPPGXPBCRHXJJI-UHFFFAOYSA-N -1 0 301.372 -0.493 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)c1 ZINC000566175541 381640593 /nfs/dbraw/zinc/64/05/93/381640593.db2.gz BEGMDFBYBACGKP-QMMMGPOBSA-N -1 0 323.348 -0.167 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)[C@H]2CCCOC2)C1 ZINC000567687591 381710514 /nfs/dbraw/zinc/71/05/14/381710514.db2.gz YWZORBYVOBIORG-CMPLNLGQSA-N -1 0 307.368 -0.082 20 0 DBADRM NS(=O)(=O)c1ccccc1CNC(=O)NCCCC(=O)[O-] ZINC000567806922 381714021 /nfs/dbraw/zinc/71/40/21/381714021.db2.gz MFQPXWYYWORDRA-UHFFFAOYSA-N -1 0 315.351 -0.002 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)NCCCC(=O)[O-])C2=O)cn1 ZINC000567807010 381714117 /nfs/dbraw/zinc/71/41/17/381714117.db2.gz RTDXSCXVWOFPHK-SNVBAGLBSA-N -1 0 309.326 -0.311 20 0 DBADRM O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCCN1CCOCC1 ZINC000567809041 381714737 /nfs/dbraw/zinc/71/47/37/381714737.db2.gz GXOLXRDTQDRLAC-GFCCVEGCSA-N -1 0 320.411 -0.022 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000566915228 381675468 /nfs/dbraw/zinc/67/54/68/381675468.db2.gz HSLYTESBIQWLBE-UWVGGRQHSA-N -1 0 313.354 -0.802 20 0 DBADRM CN1C[C@H](NS(=O)(=O)c2cccc(CC(=O)[O-])c2)CC1=O ZINC000566976318 381676801 /nfs/dbraw/zinc/67/68/01/381676801.db2.gz LIGJFAMTONWVFQ-SNVBAGLBSA-N -1 0 312.347 -0.177 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NC[C@@H](O)C(=O)[O-])CCCC1 ZINC000567124172 381682364 /nfs/dbraw/zinc/68/23/64/381682364.db2.gz AWCQNFVYGQGAKM-MRVPVSSYSA-N -1 0 309.340 -0.915 20 0 DBADRM C[C@H]1C[C@H](S(=O)(=O)NCCC(=O)NCC(=O)[O-])CCO1 ZINC000567239592 381687339 /nfs/dbraw/zinc/68/73/39/381687339.db2.gz VYTVHOUGOSXROZ-DTWKUNHWSA-N -1 0 308.356 -0.936 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)CCOCC1CC1)[C@@H]1CCOC1 ZINC000567581780 381701347 /nfs/dbraw/zinc/70/13/47/381701347.db2.gz PTYROKGFAHJRBJ-MNOVXSKESA-N -1 0 307.368 -0.178 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC(=O)N[C@H](C)C2)ccc1C(=O)[O-] ZINC000567635598 381705289 /nfs/dbraw/zinc/70/52/89/381705289.db2.gz ZRHGZODZOAQJBR-SECBINFHSA-N -1 0 319.317 -0.021 20 0 DBADRM C[C@H](O)[C@@H](NS(=O)(=O)c1cccc2c1OCC2)C(=O)[O-] ZINC000567603092 381705336 /nfs/dbraw/zinc/70/53/36/381705336.db2.gz BGQRFGFJWWNKTQ-OIBJUYFYSA-N -1 0 301.320 -0.266 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C2(C(=O)[O-])CCOCC2)CC1=O ZINC000567970095 381728534 /nfs/dbraw/zinc/72/85/34/381728534.db2.gz HCWKCBJYWUUMPC-OUAUKWLOSA-N -1 0 310.350 -0.007 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000568001818 381729172 /nfs/dbraw/zinc/72/91/72/381729172.db2.gz IXZXHMLWOJHUNM-CBAPKCEASA-N -1 0 308.356 -0.795 20 0 DBADRM CN(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000568173598 381741694 /nfs/dbraw/zinc/74/16/94/381741694.db2.gz LHXNVUUOXHGINU-QWRGUYRKSA-N -1 0 302.352 -0.561 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NCCCCCC(=O)[O-] ZINC000063142251 184273312 /nfs/dbraw/zinc/27/33/12/184273312.db2.gz XUTYBBXKXHPNCN-UHFFFAOYSA-N -1 0 301.386 -0.405 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)cn1 ZINC000567863380 381720101 /nfs/dbraw/zinc/72/01/01/381720101.db2.gz MKYSWUQBMBVANZ-NSHDSACASA-N -1 0 305.290 -0.005 20 0 DBADRM CCn1ncnc1CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000567887865 381722127 /nfs/dbraw/zinc/72/21/27/381722127.db2.gz TWBYIMDYFDCLKM-ZJUUUORDSA-N -1 0 323.353 -0.517 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCCc1cn2ccccc2n1 ZINC000567887746 381722269 /nfs/dbraw/zinc/72/22/69/381722269.db2.gz QMSNFNIXPUOZTO-UHFFFAOYSA-N -1 0 318.333 -0.026 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000567888106 381722785 /nfs/dbraw/zinc/72/27/85/381722785.db2.gz YSQZMRPOHIRPRC-VHSXEESVSA-N -1 0 311.338 -0.763 20 0 DBADRM O=C([O-])CN(C(=O)[C@@H](O)C1CCOCC1)C1CCOCC1 ZINC000567877953 381722976 /nfs/dbraw/zinc/72/29/76/381722976.db2.gz XDXSTNIBMBSYJP-ZDUSSCGKSA-N -1 0 301.339 -0.134 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@@H](CO)C(=O)[O-])CCCC1 ZINC000572808644 381800321 /nfs/dbraw/zinc/80/03/21/381800321.db2.gz VEANALOLFPPYON-QMMMGPOBSA-N -1 0 309.340 -0.915 20 0 DBADRM COCC(=O)N(C)CC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000572763234 381800517 /nfs/dbraw/zinc/80/05/17/381800517.db2.gz UAPCZZFDFKGABI-UHFFFAOYSA-N -1 0 316.354 -0.427 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2CCC[C@@](O)(CO)C2)c1 ZINC000569244733 381794070 /nfs/dbraw/zinc/79/40/70/381794070.db2.gz YKLMKYBMDPYRSE-HNNXBMFYSA-N -1 0 322.317 -0.331 20 0 DBADRM Cc1c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C(=O)[O-])cnn1C ZINC000568632337 381767819 /nfs/dbraw/zinc/76/78/19/381767819.db2.gz NKAXHLMXHRYDJA-ARENWVFISA-N -1 0 317.367 -0.020 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)C1 ZINC000167255606 381822715 /nfs/dbraw/zinc/82/27/15/381822715.db2.gz XAECUAXTIRZVPV-SECBINFHSA-N -1 0 317.371 -0.571 20 0 DBADRM CC1(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])CC1 ZINC000573358019 381824363 /nfs/dbraw/zinc/82/43/63/381824363.db2.gz QAANGRTUZFEHOK-ZCFIWIBFSA-N -1 0 302.312 -0.865 20 0 DBADRM O=C([O-])CN(C1CC1)S(=O)(=O)c1cnn2c1OCCC2 ZINC000573482267 381829211 /nfs/dbraw/zinc/82/92/11/381829211.db2.gz ADLGWPBDWWKPAG-UHFFFAOYSA-N -1 0 301.324 -0.097 20 0 DBADRM C[C@H]1OCCN(C(=O)N2CCS(=O)(=O)CC2)[C@@H]1C(=O)[O-] ZINC000328442035 381831227 /nfs/dbraw/zinc/83/12/27/381831227.db2.gz FBFUEUICFXSURO-BDAKNGLRSA-N -1 0 306.340 -0.989 20 0 DBADRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H](O)Cn1ccnn1 ZINC000573863494 381842953 /nfs/dbraw/zinc/84/29/53/381842953.db2.gz ROILVWHFCMVMHP-NKWVEPMBSA-N -1 0 302.278 -0.491 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000572832848 381803203 /nfs/dbraw/zinc/80/32/03/381803203.db2.gz ZKKBKIYDIWMOLN-ZCFIWIBFSA-N -1 0 314.241 -0.176 20 0 DBADRM C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000165141592 381805708 /nfs/dbraw/zinc/80/57/08/381805708.db2.gz OAHGLCCQEQQPPW-OPRDCNLKSA-N -1 0 306.384 -0.007 20 0 DBADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H](O)Cn1ccnn1 ZINC000573863495 381843557 /nfs/dbraw/zinc/84/35/57/381843557.db2.gz ROILVWHFCMVMHP-RNFRBKRXSA-N -1 0 302.278 -0.491 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@@H]1CCOC1)[C@H]1CCCOC1 ZINC000572993233 381809795 /nfs/dbraw/zinc/80/97/95/381809795.db2.gz UVMMLLIHWVSYLF-OUAUKWLOSA-N -1 0 307.368 -0.178 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000574828569 381880551 /nfs/dbraw/zinc/88/05/51/381880551.db2.gz FDJJZJNPFVNQGF-JTQLQIEISA-N -1 0 310.397 -0.319 20 0 DBADRM Cc1cn2c(ncc(C(=O)NC[C@](C)(O)C(=O)[O-])c2=O)s1 ZINC000574082975 381851158 /nfs/dbraw/zinc/85/11/58/381851158.db2.gz WVBPUWHTGRUBRG-LBPRGKRZSA-N -1 0 311.319 -0.370 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000575181044 381886349 /nfs/dbraw/zinc/88/63/49/381886349.db2.gz MQXKCZLMLZVOJV-RYUDHWBXSA-N -1 0 310.350 -0.029 20 0 DBADRM CN1C(=O)C[C@@H](NS(=O)(=O)CCOCC2CCCC2)C1=O ZINC000574297443 381861072 /nfs/dbraw/zinc/86/10/72/381861072.db2.gz XJQCIZRJEOGNQJ-LLVKDONJSA-N -1 0 318.395 -0.130 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC000574571710 381869024 /nfs/dbraw/zinc/86/90/24/381869024.db2.gz XYMAIJVBFMWXPM-UHFFFAOYSA-N -1 0 307.310 -0.386 20 0 DBADRM COC(=O)c1ccc(CN2CCN(C(=O)C(=O)[O-])CC2)nc1 ZINC000574695112 381874589 /nfs/dbraw/zinc/87/45/89/381874589.db2.gz XRALVSMAQXSXFH-UHFFFAOYSA-N -1 0 307.306 -0.403 20 0 DBADRM COc1cc(C[C@H](CO)CN=c2nn[n-]n2C)cc(OC)c1 ZINC000575633287 381896359 /nfs/dbraw/zinc/89/63/59/381896359.db2.gz CVXMOKATWZWWAH-NSHDSACASA-N -1 0 307.354 -0.088 20 0 DBADRM C[C@H]1CN(c2ncncc2C(=O)[O-])CCN1S(C)(=O)=O ZINC000576282923 381917628 /nfs/dbraw/zinc/91/76/28/381917628.db2.gz ZGHOMWMHSMMLLQ-QMMMGPOBSA-N -1 0 300.340 -0.355 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCc1cn2ccsc2n1 ZINC000576755554 381933572 /nfs/dbraw/zinc/93/35/72/381933572.db2.gz PRWQBKMUWVRVOQ-UHFFFAOYSA-N -1 0 310.335 -0.007 20 0 DBADRM NS(=O)(=O)c1ccc(N[C@@H]2CC[S@@](=O)C2)c(C(=O)[O-])c1 ZINC000576758392 381934509 /nfs/dbraw/zinc/93/45/09/381934509.db2.gz OYTGGDQXTYTXFI-QOLSBQFWSA-N -1 0 318.376 -0.035 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NCCCC(=O)[O-])[C@H]1C ZINC000577730783 381972052 /nfs/dbraw/zinc/97/20/52/381972052.db2.gz WKOGHHJHQBKANU-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000577062952 381945570 /nfs/dbraw/zinc/94/55/70/381945570.db2.gz UNECIZSURRTVMI-MNOVXSKESA-N -1 0 316.354 -0.665 20 0 DBADRM COCCOCCS(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000580683086 381954374 /nfs/dbraw/zinc/95/43/74/381954374.db2.gz OYCFRVNTDFJMDY-SSDOTTSWSA-N -1 0 323.289 -0.026 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[S@@](=O)C2)C[C@@H]1C(=O)[O-] ZINC000578237127 382005949 /nfs/dbraw/zinc/00/59/49/382005949.db2.gz APUNYEXSFQYWCY-IFLNPDNJSA-N -1 0 316.379 -0.807 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)[C@@H]1CCO[C@H]1C)C(=O)[O-] ZINC000578366331 382013256 /nfs/dbraw/zinc/01/32/56/382013256.db2.gz XAVBZINXGOBTGU-DJLDLDEBSA-N -1 0 309.340 -0.510 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)NCCc1nc(=O)o[n-]1 ZINC000577784687 381975255 /nfs/dbraw/zinc/97/52/55/381975255.db2.gz ZUVLADUMRFRFRR-UHFFFAOYSA-N -1 0 305.294 -0.767 20 0 DBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1 ZINC000349568649 381987871 /nfs/dbraw/zinc/98/78/71/381987871.db2.gz ACAFPZIQRMFNDV-UHFFFAOYSA-N -1 0 314.414 -0.439 20 0 DBADRM COc1ccc(C)nc1[N-]S(=O)(=O)CCCS(N)(=O)=O ZINC000349444716 381987993 /nfs/dbraw/zinc/98/79/93/381987993.db2.gz DFBXWWYXUSYAFG-UHFFFAOYSA-N -1 0 323.396 -0.181 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)N2CCC2)C1=O ZINC000578980506 382043072 /nfs/dbraw/zinc/04/30/72/382043072.db2.gz MXKNMLVOWMSCIZ-ZJUUUORDSA-N -1 0 319.383 -0.763 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])CCO1 ZINC000578984608 382044147 /nfs/dbraw/zinc/04/41/47/382044147.db2.gz IRNGMQASGZXMPJ-ZETCQYMHSA-N -1 0 322.364 -0.123 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1 ZINC000578984137 382044774 /nfs/dbraw/zinc/04/47/74/382044774.db2.gz CVNYZVKDVKPBHO-VIFPVBQESA-N -1 0 303.340 -0.233 20 0 DBADRM Cc1cc(N2CCN(C(=O)[C@@H](C)C(=O)[O-])CC2)n2ncnc2n1 ZINC000579473750 382069810 /nfs/dbraw/zinc/06/98/10/382069810.db2.gz KFBRREPZNQAHAE-SNVBAGLBSA-N -1 0 318.337 -0.198 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000578538241 382021652 /nfs/dbraw/zinc/02/16/52/382021652.db2.gz QUFBAJVTNFSOPO-UTLUCORTSA-N -1 0 322.383 -0.738 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(CO)CC2)C[C@H]1C(=O)[O-] ZINC000578532117 382021746 /nfs/dbraw/zinc/02/17/46/382021746.db2.gz BAALQINNCUSPEA-ZYHUDNBSSA-N -1 0 312.366 -0.214 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000578550686 382022864 /nfs/dbraw/zinc/02/28/64/382022864.db2.gz LHMSOMVBLXFTIM-GXSJLCMTSA-N -1 0 317.367 -0.425 20 0 DBADRM CC(C)(C)OCC[C@@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000578646996 382027397 /nfs/dbraw/zinc/02/73/97/382027397.db2.gz WDYOMIJMECVUTF-SNVBAGLBSA-N -1 0 324.399 -0.189 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cnn1C ZINC000578652737 382027566 /nfs/dbraw/zinc/02/75/66/382027566.db2.gz WVZICXDBLKXTQS-JOYOIKCWSA-N -1 0 322.365 -0.086 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N[C@@H]2CN(C)NC2=O)c1 ZINC000579944433 382102561 /nfs/dbraw/zinc/10/25/61/382102561.db2.gz SLRBQMIDBQYVBZ-FIKIJFGZSA-N -1 0 311.363 -0.736 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N[C@@H]2CN(C)NC2=O)c1 ZINC000579944436 382102657 /nfs/dbraw/zinc/10/26/57/382102657.db2.gz SLRBQMIDBQYVBZ-WSVYEEACSA-N -1 0 311.363 -0.736 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-] ZINC000579959042 382103777 /nfs/dbraw/zinc/10/37/77/382103777.db2.gz DOCAGHGHDIUYPB-RKDXNWHRSA-N -1 0 311.356 -0.405 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000580777372 382112186 /nfs/dbraw/zinc/11/21/86/382112186.db2.gz RJRDLDLXGOBFLE-RNFRBKRXSA-N -1 0 307.310 -0.328 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000580892658 382119162 /nfs/dbraw/zinc/11/91/62/382119162.db2.gz LVXQLRBSRLDJFB-JTQLQIEISA-N -1 0 307.354 -0.088 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000580952305 382120351 /nfs/dbraw/zinc/12/03/51/382120351.db2.gz WREPFLZRNRTCFW-SECBINFHSA-N -1 0 307.310 -0.920 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000580963266 382122914 /nfs/dbraw/zinc/12/29/14/382122914.db2.gz NBMZXWOCNBLSKJ-ZCFIWIBFSA-N -1 0 314.241 -0.176 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000579494960 382071085 /nfs/dbraw/zinc/07/10/85/382071085.db2.gz HRUNJUGMROLXPQ-UWVGGRQHSA-N -1 0 309.384 -0.101 20 0 DBADRM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000581074520 382129083 /nfs/dbraw/zinc/12/90/83/382129083.db2.gz OMGCKSZTADFABS-RGOKHQFPSA-N -1 0 301.295 -0.857 20 0 DBADRM O=C([O-])CCC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000579591607 382079590 /nfs/dbraw/zinc/07/95/90/382079590.db2.gz DCIJYSZAHWAGIO-UHFFFAOYSA-N -1 0 316.339 -0.893 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000579833341 382095906 /nfs/dbraw/zinc/09/59/06/382095906.db2.gz VFSIHIUSCKXAIW-VIFPVBQESA-N -1 0 303.340 -0.407 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000581820384 382175984 /nfs/dbraw/zinc/17/59/84/382175984.db2.gz BWCVCKUIJYQOEC-UHFFFAOYSA-N -1 0 320.348 -0.801 20 0 DBADRM Cn1nccc1S(=O)(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000581882226 382177737 /nfs/dbraw/zinc/17/77/37/382177737.db2.gz JXLMXPDORPYXCZ-UHFFFAOYSA-N -1 0 303.340 -0.278 20 0 DBADRM COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000581074516 382129672 /nfs/dbraw/zinc/12/96/72/382129672.db2.gz OMGCKSZTADFABS-AXTSPUMRSA-N -1 0 301.295 -0.857 20 0 DBADRM COCCOCCCCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000581129638 382131246 /nfs/dbraw/zinc/13/12/46/382131246.db2.gz YBTLGCSIEZXBTO-NSHDSACASA-N -1 0 324.399 -0.187 20 0 DBADRM CC[C@@H](CNS(=O)(=O)N(C)CCC(=O)OC)CC(=O)[O-] ZINC000581345523 382143498 /nfs/dbraw/zinc/14/34/98/382143498.db2.gz FWZZSNBBNMHTFK-SECBINFHSA-N -1 0 310.372 -0.183 20 0 DBADRM C[C@@H]1C[C@H]1CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000581422609 382147421 /nfs/dbraw/zinc/14/74/21/382147421.db2.gz ZZQQGOZICPBMMX-BDAKNGLRSA-N -1 0 304.368 -0.026 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCNC(=O)C2)ccc1C(=O)[O-] ZINC000581482653 382150978 /nfs/dbraw/zinc/15/09/78/382150978.db2.gz HYOOAXCIOVSCJU-UHFFFAOYSA-N -1 0 305.290 -0.410 20 0 DBADRM COC(=O)c1cn(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)nn1 ZINC000581491826 382151431 /nfs/dbraw/zinc/15/14/31/382151431.db2.gz IZSVFYSDZYSULA-BDAKNGLRSA-N -1 0 310.310 -0.224 20 0 DBADRM CC(C)(C)CS(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000581491956 382153413 /nfs/dbraw/zinc/15/34/13/382153413.db2.gz ODOIJFGLIKCGPQ-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC(O)(CO)C1 ZINC000615426326 382153423 /nfs/dbraw/zinc/15/34/23/382153423.db2.gz IJTQCTPUGAYLSR-UHFFFAOYSA-N -1 0 314.363 -0.373 20 0 DBADRM COC[C@@](C)(O)CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000382587397 382154885 /nfs/dbraw/zinc/15/48/85/382154885.db2.gz CPKHLOQNZSSSRD-LBPRGKRZSA-N -1 0 318.351 -0.159 20 0 DBADRM CC[C@@H](CO)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000615471026 382201086 /nfs/dbraw/zinc/20/10/86/382201086.db2.gz TZMBBPZKTVWNOL-QMMMGPOBSA-N -1 0 302.352 -0.118 20 0 DBADRM CC(C)(CNC(=O)C(=O)NCCC(=O)[O-])C(=O)N1CCCC1 ZINC000627277393 382212738 /nfs/dbraw/zinc/21/27/38/382212738.db2.gz IKIHXWBEHROCDW-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM CN1C(=O)c2ccccc2[C@@H]1CNC(=O)C(=O)NCCC(=O)[O-] ZINC000627277774 382212784 /nfs/dbraw/zinc/21/27/84/382212784.db2.gz XRIVXWOCRQKAND-NSHDSACASA-N -1 0 319.317 -0.480 20 0 DBADRM CCOC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CCO1 ZINC000627279820 382215125 /nfs/dbraw/zinc/21/51/25/382215125.db2.gz UYULPTVBMXXGHK-UWVGGRQHSA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CCC2)C1=O)C(=O)[O-] ZINC000627279072 382215156 /nfs/dbraw/zinc/21/51/56/382215156.db2.gz GGTJCKFTAHRIGO-PSASIEDQSA-N -1 0 311.338 -0.907 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CC[C@@H]1C(=O)[O-] ZINC000627279599 382215455 /nfs/dbraw/zinc/21/54/55/382215455.db2.gz PYRGJJZFCHUFDG-ZIQFBCGOSA-N -1 0 310.350 -0.008 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCOC[C@H](O)C1 ZINC000615676176 382226121 /nfs/dbraw/zinc/22/61/21/382226121.db2.gz MPNNJXLSNWXBJB-LLVKDONJSA-N -1 0 305.290 -0.137 20 0 DBADRM Cc1ncccc1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000627282789 382227610 /nfs/dbraw/zinc/22/76/10/382227610.db2.gz KNQYOQMCDLSQNV-NSHDSACASA-N -1 0 307.306 -0.682 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCc2ccc[nH]c2=O)C[C@@H]1C(=O)[O-] ZINC000627284992 382246001 /nfs/dbraw/zinc/24/60/01/382246001.db2.gz PSKWUTYXDMWQKB-ONGXEEELSA-N -1 0 321.333 -0.027 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000627286142 382252581 /nfs/dbraw/zinc/25/25/81/382252581.db2.gz CWPJXOIWCFXTHX-JTQLQIEISA-N -1 0 311.338 -0.811 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCC2(CO)CC2)c1 ZINC000615970648 382325537 /nfs/dbraw/zinc/32/55/37/382325537.db2.gz XMGLLMNYOKLKDI-UHFFFAOYSA-N -1 0 314.363 -0.068 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000085412511 382329084 /nfs/dbraw/zinc/32/90/84/382329084.db2.gz KSYJTKGSHVGCAT-WDEREUQCSA-N -1 0 300.355 -0.094 20 0 DBADRM COc1ccc(OC)c(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1 ZINC000090262748 382335168 /nfs/dbraw/zinc/33/51/68/382335168.db2.gz BQPCYIWCVLDOHC-MRVPVSSYSA-N -1 0 305.308 -0.572 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c(OC)c1 ZINC000090262973 382335628 /nfs/dbraw/zinc/33/56/28/382335628.db2.gz INKICBMSNKVJRI-MRVPVSSYSA-N -1 0 305.308 -0.572 20 0 DBADRM CCOC(=O)c1nc(NC(=O)CCS(=O)(=O)N(C)C)c[nH]1 ZINC000617870236 382346107 /nfs/dbraw/zinc/34/61/07/382346107.db2.gz HKLJHNSSRHVPPK-UHFFFAOYSA-N -1 0 318.355 -0.194 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2CCC[C@@H]2O)c1 ZINC000616200535 382346201 /nfs/dbraw/zinc/34/62/01/382346201.db2.gz ZBJWWVWNSMAATN-KCJUWKMLSA-N -1 0 314.363 -0.070 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc(F)c(C(N)=O)c2)c1[O-] ZINC000618442437 382361042 /nfs/dbraw/zinc/36/10/42/382361042.db2.gz WVTYCYKRUBMHAH-SECBINFHSA-N -1 0 309.253 -0.088 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000402534395 382398247 /nfs/dbraw/zinc/39/82/47/382398247.db2.gz SSQSJXIHIVYDRB-SNVBAGLBSA-N -1 0 319.339 -0.582 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000400147662 382389899 /nfs/dbraw/zinc/38/98/99/382389899.db2.gz ZXZYZSJFDXOHPI-BDAKNGLRSA-N -1 0 307.372 -0.475 20 0 DBADRM CCN(CC(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000400188016 382390204 /nfs/dbraw/zinc/39/02/04/382390204.db2.gz KJRXQXYSBHLXJC-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM CCCC[C@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400302668 382391365 /nfs/dbraw/zinc/39/13/65/382391365.db2.gz QAIVOTLBBIBCMU-ZJUUUORDSA-N -1 0 321.399 -0.037 20 0 DBADRM CSC[C@@](C)(O)CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000230134545 382407858 /nfs/dbraw/zinc/40/78/58/382407858.db2.gz ZCAGWIIRFVERGV-VIFPVBQESA-N -1 0 300.402 -0.659 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1ncc(C(=O)[O-])s1 ZINC000621611676 382493254 /nfs/dbraw/zinc/49/32/54/382493254.db2.gz JBCVTQBOGJUVMR-PHDIDXHHSA-N -1 0 319.364 -0.290 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC000621607423 382493277 /nfs/dbraw/zinc/49/32/77/382493277.db2.gz UFOTUVZYBGEGJG-MRVPVSSYSA-N -1 0 310.397 -0.846 20 0 DBADRM CCc1cc(N2CCC[C@H](NC(=O)c3nc(=O)[nH][n-]3)C2)ncn1 ZINC000112507771 382481690 /nfs/dbraw/zinc/48/16/90/382481690.db2.gz BUVWQUYKWDUORE-JTQLQIEISA-N -1 0 317.353 -0.151 20 0 DBADRM CN1CC[C@H](C(=O)N(CC(=O)[O-])C2CCCC2)S1(=O)=O ZINC000621576675 382491406 /nfs/dbraw/zinc/49/14/06/382491406.db2.gz XQIGFFQVSQINAG-SNVBAGLBSA-N -1 0 304.368 -0.124 20 0 DBADRM CCn1cc(CCN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cn1 ZINC000621773777 382505206 /nfs/dbraw/zinc/50/52/06/382505206.db2.gz BMSCSUQQVZMSPF-NSHDSACASA-N -1 0 301.368 -0.371 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccnn2C)C1 ZINC000312511166 382507365 /nfs/dbraw/zinc/50/73/65/382507365.db2.gz ATXOJEBSNBCTON-NSHDSACASA-N -1 0 303.340 -0.468 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)N3CC(C(=O)[O-])C3)C2=O)cn1 ZINC000621830411 382510936 /nfs/dbraw/zinc/51/09/36/382510936.db2.gz HSBWCIHVIOVGMO-SNVBAGLBSA-N -1 0 307.310 -0.749 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C[C@H]1CO ZINC000621836091 382512628 /nfs/dbraw/zinc/51/26/28/382512628.db2.gz XFWZEUXSVYPEAQ-NOOOWODRSA-N -1 0 312.366 -0.167 20 0 DBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)N1CC(C(=O)[O-])C1 ZINC000621833367 382512697 /nfs/dbraw/zinc/51/26/97/382512697.db2.gz JULGIVSPGKARCQ-QWRGUYRKSA-N -1 0 302.327 -0.467 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CC(C(=O)[O-])C1 ZINC000621834490 382512713 /nfs/dbraw/zinc/51/27/13/382512713.db2.gz KNGOWSWVPWIGHL-WCBMZHEXSA-N -1 0 319.383 -0.570 20 0 DBADRM O=C(c1nc(=O)[nH][n-]1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000114540233 382517987 /nfs/dbraw/zinc/51/79/87/382517987.db2.gz VEDCWZSVUAEAIJ-UHFFFAOYSA-N -1 0 311.239 -0.244 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NCCN2CCOCC2)cc1 ZINC000631032860 382569227 /nfs/dbraw/zinc/56/92/27/382569227.db2.gz OCOZILBWCWOEOE-UHFFFAOYSA-N -1 0 318.381 -0.104 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c[nH]1 ZINC000275239166 382577874 /nfs/dbraw/zinc/57/78/74/382577874.db2.gz GNGXUAGJKXUJBA-HZGVNTEJSA-N -1 0 318.307 -0.990 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000280059562 382600586 /nfs/dbraw/zinc/60/05/86/382600586.db2.gz YSAFBFCGCXABSD-RNFRBKRXSA-N -1 0 300.340 -0.542 20 0 DBADRM O=C(NCc1ccc(CN2CCOCC2)cc1)c1nc(=O)[nH][n-]1 ZINC000126510469 382614474 /nfs/dbraw/zinc/61/44/74/382614474.db2.gz OWCMBJSWVKDHDL-UHFFFAOYSA-N -1 0 317.349 -0.140 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCO1 ZINC000133350113 382642829 /nfs/dbraw/zinc/64/28/29/382642829.db2.gz NLGHBNUAHUAAMQ-IVZWLZJFSA-N -1 0 300.311 -0.177 20 0 DBADRM COC[C@@H](O)CCN=c1nn[n-]n1Cc1ccc(OC)cc1 ZINC000631186952 382646387 /nfs/dbraw/zinc/64/63/87/382646387.db2.gz WLWKBEJEECGHTN-LBPRGKRZSA-N -1 0 307.354 -0.039 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCC[C@@H]1CN1CCOCC1 ZINC000632039687 382659874 /nfs/dbraw/zinc/65/98/74/382659874.db2.gz LYCRPCIJYUNIAZ-LLVKDONJSA-N -1 0 300.384 -0.105 20 0 DBADRM CN(CC(C)(C)CN1CCOCC1)C(=O)CCc1nnn[n-]1 ZINC000632063052 382661009 /nfs/dbraw/zinc/66/10/09/382661009.db2.gz SYDWQZZXEDGFEY-UHFFFAOYSA-N -1 0 310.402 -0.051 20 0 DBADRM COCC(COC)N1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000632453391 382670698 /nfs/dbraw/zinc/67/06/98/382670698.db2.gz WJOBHJBGCBXNHP-UHFFFAOYSA-N -1 0 318.399 -0.623 20 0 DBADRM C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ncc[n-]1 ZINC000632500412 382672160 /nfs/dbraw/zinc/67/21/60/382672160.db2.gz VYRSZZAMJPAGOM-VIFPVBQESA-N -1 0 301.372 -0.850 20 0 DBADRM CCS(=O)(=O)C1(CNS(=O)(=O)CC2(N(C)C)CC2)CC1 ZINC000632570236 382673824 /nfs/dbraw/zinc/67/38/24/382673824.db2.gz WZLFASRTDUVADG-UHFFFAOYSA-N -1 0 324.468 -0.033 20 0 DBADRM O=C1N(CCNS(=O)(=O)c2ncc[n-]2)C[C@H]2CCCCN12 ZINC000632569456 382673862 /nfs/dbraw/zinc/67/38/62/382673862.db2.gz JKVVFGAPRAZLPK-SNVBAGLBSA-N -1 0 313.383 -0.022 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCSCC2)C1 ZINC000633062688 382680630 /nfs/dbraw/zinc/68/06/30/382680630.db2.gz JFRKQCFHGIVKRH-CYBMUJFWSA-N -1 0 316.379 -0.489 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](C)C2)C1 ZINC000633062460 382680708 /nfs/dbraw/zinc/68/07/08/382680708.db2.gz AMZGIBWOPNPNKY-HZMBPMFUSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)[C@@H]2CCOC2)C1 ZINC000633065051 382680811 /nfs/dbraw/zinc/68/08/11/382680811.db2.gz XONRAYHACKUBIN-QMTHXVAHSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C[C@@H]1CO ZINC000633068867 382680963 /nfs/dbraw/zinc/68/09/63/382680963.db2.gz ADCDCDJGUPYOJZ-SDDRHHMPSA-N -1 0 312.366 -0.214 20 0 DBADRM CN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CCC1=O ZINC000633069005 382681015 /nfs/dbraw/zinc/68/10/15/382681015.db2.gz DKBAZBSPIPQLMK-JTQLQIEISA-N -1 0 311.338 -1.000 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000633073631 382681069 /nfs/dbraw/zinc/68/10/69/382681069.db2.gz WWRVWHSCHLLQFE-MRVPVSSYSA-N -1 0 308.281 -0.198 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@H](C(F)F)CC1 ZINC000633073632 382681242 /nfs/dbraw/zinc/68/12/42/382681242.db2.gz WWRVWHSCHLLQFE-QMMMGPOBSA-N -1 0 308.281 -0.198 20 0 DBADRM COC(C)(C)c1nc(=NC(=O)CN2CCOCC2=O)s[n-]1 ZINC000634150317 382692645 /nfs/dbraw/zinc/69/26/45/382692645.db2.gz WTNPCTPHUPKJND-UHFFFAOYSA-N -1 0 314.367 -0.361 20 0 DBADRM CCN(Cc1ccccc1)S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000275191569 285114892 /nfs/dbraw/zinc/11/48/92/285114892.db2.gz FPQTZLOLGMSXRS-NSHDSACASA-N -1 0 302.352 -0.212 20 0 DBADRM C[C@@](O)(CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000262485251 220435434 /nfs/dbraw/zinc/43/54/34/220435434.db2.gz IMJVMJJPKFGUJI-MLGOLLRUSA-N -1 0 320.345 -0.013 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)CC2CCOCC2)CCOC1 ZINC000447157400 533150165 /nfs/dbraw/zinc/15/01/65/533150165.db2.gz NIFCYTSMJQZBBN-GFCCVEGCSA-N -1 0 307.368 -0.336 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)nn1 ZINC000263353506 304274421 /nfs/dbraw/zinc/27/44/21/304274421.db2.gz QPTATJSXFUSLNP-WCBMZHEXSA-N -1 0 307.310 -0.754 20 0 DBADRM CS(=O)(=O)c1ccccc1C(=O)NCCc1nc(=O)o[n-]1 ZINC000447634475 533460864 /nfs/dbraw/zinc/46/08/64/533460864.db2.gz QLQULXANLCDHSJ-UHFFFAOYSA-N -1 0 311.319 -0.261 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CCO)COC)o1 ZINC000272535014 130039264 /nfs/dbraw/zinc/03/92/64/130039264.db2.gz UIPYQOYKLRNFKZ-GFCCVEGCSA-N -1 0 320.367 -0.295 20 0 DBADRM COc1n[nH]c([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)n1 ZINC000272810771 130065642 /nfs/dbraw/zinc/06/56/42/130065642.db2.gz HYWXOHPYHJSACF-ZETCQYMHSA-N -1 0 314.327 -0.228 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCNC(=O)C2)c(F)cc1F ZINC000273811575 130170196 /nfs/dbraw/zinc/17/01/96/130170196.db2.gz YVHQXITXFULRFA-UHFFFAOYSA-N -1 0 320.273 -0.217 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)o1 ZINC000274878364 130270290 /nfs/dbraw/zinc/27/02/90/130270290.db2.gz CCBLQJYRNGQIHU-XRGYYRRGSA-N -1 0 307.280 -0.822 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@H](C)C(=O)[O-] ZINC000274905507 130271554 /nfs/dbraw/zinc/27/15/54/130271554.db2.gz JGTGFFNBGGYWCF-LURJTMIESA-N -1 0 305.312 -0.415 20 0 DBADRM Cc1cc(F)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1F ZINC000274900454 130271792 /nfs/dbraw/zinc/27/17/92/130271792.db2.gz IBZJBFQIBATXRQ-MRVPVSSYSA-N -1 0 322.289 -0.120 20 0 DBADRM C[C@H](CNS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000274896182 130272030 /nfs/dbraw/zinc/27/20/30/130272030.db2.gz HDRAJFBENKNNSS-MRVPVSSYSA-N -1 0 311.323 -0.339 20 0 DBADRM C[C@H]1Cc2cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])ccc2O1 ZINC000274935934 130274726 /nfs/dbraw/zinc/27/47/26/130274726.db2.gz PVXGBCNYEFOLEW-OIBJUYFYSA-N -1 0 301.320 -0.266 20 0 DBADRM C[C@@H](CNC(=O)CSc1n[nH]c(=O)[n-]1)CN1CCOCC1 ZINC000274935375 130275401 /nfs/dbraw/zinc/27/54/01/130275401.db2.gz CNUFUCIJWPMIKX-VIFPVBQESA-N -1 0 315.399 -0.725 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c(C)o1 ZINC000274955050 130277381 /nfs/dbraw/zinc/27/73/81/130277381.db2.gz TYXYUJYOGRKMSX-ANLVUFKYSA-N -1 0 321.307 -0.513 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000274977554 130279558 /nfs/dbraw/zinc/27/95/58/130279558.db2.gz XFASJIBOQPPFBY-SECBINFHSA-N -1 0 313.339 -0.400 20 0 DBADRM COCCS(=O)(=O)N[C@@H](C(=O)[O-])c1c(C)nn(C)c1C ZINC000275014132 130282966 /nfs/dbraw/zinc/28/29/66/130282966.db2.gz CFWXJPKGLLIIJQ-SNVBAGLBSA-N -1 0 305.356 -0.272 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCSCC(=O)[O-])c[nH]1 ZINC000275069391 130289723 /nfs/dbraw/zinc/28/97/23/130289723.db2.gz WHACUTOSEWYQOA-UHFFFAOYSA-N -1 0 322.364 -0.103 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1C ZINC000275202079 130298495 /nfs/dbraw/zinc/29/84/95/130298495.db2.gz BHBUOHCAHGRYDC-JTQLQIEISA-N -1 0 317.367 -0.006 20 0 DBADRM COC[C@H](C)S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275264886 130300777 /nfs/dbraw/zinc/30/07/77/130300777.db2.gz MPZBONPBAFZNTM-WCBMZHEXSA-N -1 0 305.356 -0.630 20 0 DBADRM Cn1cc(C[C@H](NS(=O)(=O)c2cccnc2)C(=O)[O-])cn1 ZINC000275296034 130302906 /nfs/dbraw/zinc/30/29/06/130302906.db2.gz PXBBHZRWOUTBQF-NSHDSACASA-N -1 0 310.335 -0.211 20 0 DBADRM C[C@@H]1Cc2cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])ccc2O1 ZINC000275317084 130304033 /nfs/dbraw/zinc/30/40/33/130304033.db2.gz RXXYPLLXKCKJPP-XCBNKYQSSA-N -1 0 301.320 -0.266 20 0 DBADRM COCCCCS(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275358401 130307597 /nfs/dbraw/zinc/30/75/97/130307597.db2.gz XEMRTZWGWCAAKI-NSHDSACASA-N -1 0 319.383 -0.238 20 0 DBADRM COCCc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000275364477 130308422 /nfs/dbraw/zinc/30/84/22/130308422.db2.gz XWKVJLXFNVOIOQ-NSHDSACASA-N -1 0 303.336 -0.401 20 0 DBADRM Cn1cc(C[C@@H](NS(=O)(=O)c2cnn(C)c2)C(=O)[O-])cn1 ZINC000275374016 130310102 /nfs/dbraw/zinc/31/01/02/130310102.db2.gz ZBWCLWMOVZVHHP-SNVBAGLBSA-N -1 0 313.339 -0.872 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000275405317 130317240 /nfs/dbraw/zinc/31/72/40/130317240.db2.gz ZGKAPVFAKUMBEH-UHFFFAOYSA-N -1 0 316.291 -0.811 20 0 DBADRM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)NCC(C)C ZINC000505418826 391908732 /nfs/dbraw/zinc/90/87/32/391908732.db2.gz CGKAXROOQLSERW-GHMZBOCLSA-N -1 0 315.395 -0.220 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000507399947 391914059 /nfs/dbraw/zinc/91/40/59/391914059.db2.gz FPFNWIHJPQWQPH-QWRGUYRKSA-N -1 0 323.349 -0.953 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000646577533 391915965 /nfs/dbraw/zinc/91/59/65/391915965.db2.gz PRTJLGDKZQOWGT-MRVPVSSYSA-N -1 0 302.356 -0.470 20 0 DBADRM CN(C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000328431912 391927398 /nfs/dbraw/zinc/92/73/98/391927398.db2.gz OPECRHAVDVRILB-LPEHRKFASA-N -1 0 318.395 -0.165 20 0 DBADRM CCn1cc(S(=O)(=O)NCCNC(=O)OC)cc1C(=O)[O-] ZINC000308151952 391932134 /nfs/dbraw/zinc/93/21/34/391932134.db2.gz KAFBPBDJKLGKQW-UHFFFAOYSA-N -1 0 319.339 -0.160 20 0 DBADRM CC[C@@H](C)C[C@@H](CO)NC(=O)C(=O)N=c1nc2n([n-]1)CCCC2 ZINC000646815704 391946280 /nfs/dbraw/zinc/94/62/80/391946280.db2.gz SYDJAGXJOPVUSA-MNOVXSKESA-N -1 0 323.397 -0.112 20 0 DBADRM CC[C@@H](C)C[C@H](CO)NC(=O)C(=O)N=c1nc2n([n-]1)CCCC2 ZINC000646815703 391946318 /nfs/dbraw/zinc/94/63/18/391946318.db2.gz SYDJAGXJOPVUSA-GHMZBOCLSA-N -1 0 323.397 -0.112 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000231022638 391966791 /nfs/dbraw/zinc/96/67/91/391966791.db2.gz LCZCFIFDISIWHB-SNVBAGLBSA-N -1 0 321.399 -0.226 20 0 DBADRM Cc1nc(CNS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)no1 ZINC000231788015 391967077 /nfs/dbraw/zinc/96/70/77/391967077.db2.gz WWLHWJVSAZVEFV-QMMMGPOBSA-N -1 0 304.328 -0.491 20 0 DBADRM O=C([O-])C(=O)N1CCN(Cc2noc(C3CCOCC3)n2)CC1 ZINC000649451209 392071569 /nfs/dbraw/zinc/07/15/69/392071569.db2.gz JFPHRUJTDMDSIN-UHFFFAOYSA-N -1 0 324.337 -0.308 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)[C@@H](C(=O)[O-])C(C)C)CCN2C1=O ZINC000649458547 392073261 /nfs/dbraw/zinc/07/32/61/392073261.db2.gz TWNIOLHHFKDZSR-ZJUUUORDSA-N -1 0 311.338 -0.162 20 0 DBADRM NC(=O)CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000649458578 392073555 /nfs/dbraw/zinc/07/35/55/392073555.db2.gz WDDMFUQUSYMXIM-NXEZZACHSA-N -1 0 305.290 -0.439 20 0 DBADRM CCN(CC)C(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000649463895 392075005 /nfs/dbraw/zinc/07/50/05/392075005.db2.gz BCGUQYYAYPXHBV-VXGBXAGGSA-N -1 0 311.382 -0.280 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000649464668 392075703 /nfs/dbraw/zinc/07/57/03/392075703.db2.gz PDUHAANNGNDWRR-YUSALJHKSA-N -1 0 309.366 -0.482 20 0 DBADRM CC(C)(CNC(=O)C1(C(=O)[O-])CCOCC1)NS(C)(=O)=O ZINC000649243413 392022717 /nfs/dbraw/zinc/02/27/17/392022717.db2.gz WIGPTWWGHDTUFP-UHFFFAOYSA-N -1 0 322.383 -0.688 20 0 DBADRM CN1CC[C@H](C(=O)N2CCSC[C@H]2CC(=O)[O-])S1(=O)=O ZINC000649244638 392023108 /nfs/dbraw/zinc/02/31/08/392023108.db2.gz PVITVZQRLWZVSX-RKDXNWHRSA-N -1 0 322.408 -0.561 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCSC[C@H]2CC(=O)[O-])S1(=O)=O ZINC000649244635 392023241 /nfs/dbraw/zinc/02/32/41/392023241.db2.gz PVITVZQRLWZVSX-BDAKNGLRSA-N -1 0 322.408 -0.561 20 0 DBADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000649244058 392023274 /nfs/dbraw/zinc/02/32/74/392023274.db2.gz JGPWXKXMTVXKAO-SNVBAGLBSA-N -1 0 306.384 -0.020 20 0 DBADRM CN1CC[C@H](C(=O)N2CCCC[C@@H]2CC(=O)[O-])S1(=O)=O ZINC000649247789 392023301 /nfs/dbraw/zinc/02/33/01/392023301.db2.gz LIMAUBAJCGJEDH-NXEZZACHSA-N -1 0 304.368 -0.124 20 0 DBADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000649250234 392024272 /nfs/dbraw/zinc/02/42/72/392024272.db2.gz VFCNWAVTYZTVGF-MFKMUULPSA-N -1 0 318.395 -0.020 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@H](CC(F)F)C(=O)[O-])S1(=O)=O ZINC000649251353 392024302 /nfs/dbraw/zinc/02/43/02/392024302.db2.gz WZVDMEXGKVWVNT-RITPCOANSA-N -1 0 300.283 -0.755 20 0 DBADRM CC[C@H](CNC(=O)CNS(=O)(=O)CCCOC)C(=O)[O-] ZINC000649263705 392025301 /nfs/dbraw/zinc/02/53/01/392025301.db2.gz HXQVFDNJHUDCEM-SECBINFHSA-N -1 0 310.372 -0.831 20 0 DBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000649250935 392025402 /nfs/dbraw/zinc/02/54/02/392025402.db2.gz CTYHLWVJTWAJQE-IVZWLZJFSA-N -1 0 320.367 -0.889 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)N1CCSCC1 ZINC000551998601 392059256 /nfs/dbraw/zinc/05/92/56/392059256.db2.gz IZDYZFNHLXIMQZ-QMMMGPOBSA-N -1 0 308.381 -0.661 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(c2ncncc2C(=O)[O-])CC1 ZINC000649384771 392060500 /nfs/dbraw/zinc/06/05/00/392060500.db2.gz HXXFMRIKCXNXTH-UHFFFAOYSA-N -1 0 315.355 -0.897 20 0 DBADRM COc1nc(NCCCN(C)S(C)(=O)=O)ccc1C(=O)[O-] ZINC000649385972 392063301 /nfs/dbraw/zinc/06/33/01/392063301.db2.gz HEQVFVKKEJXMJA-UHFFFAOYSA-N -1 0 317.367 -0.096 20 0 DBADRM O=C([O-])c1cn(CCNc2nccc(N3CCOCC3)n2)nn1 ZINC000649407630 392064565 /nfs/dbraw/zinc/06/45/65/392064565.db2.gz YAOGFQRIGXTPAR-UHFFFAOYSA-N -1 0 319.325 -0.285 20 0 DBADRM O=C([O-])c1cncc(N2CCC[C@@](O)(Cn3ccnn3)C2)n1 ZINC000649399433 392064849 /nfs/dbraw/zinc/06/48/49/392064849.db2.gz JADHOOSTRJIICB-ZDUSSCGKSA-N -1 0 304.310 -0.202 20 0 DBADRM COCCn1nnc2c1CCN(c1cncc(C(=O)[O-])n1)C2 ZINC000649396718 392065334 /nfs/dbraw/zinc/06/53/34/392065334.db2.gz PEALIGCWSOJDMR-UHFFFAOYSA-N -1 0 304.310 -0.025 20 0 DBADRM C[C@H]1OCC[C@]12CN(C(=O)c1cnc([O-])n(C)c1=O)C[C@@H](C)O2 ZINC000279401699 130746308 /nfs/dbraw/zinc/74/63/08/130746308.db2.gz RUTPOSHYCUXJCD-FCHSOHFDSA-N -1 0 323.349 -0.106 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCC[C@H](N2CCOCC2)C1 ZINC000382545959 392095926 /nfs/dbraw/zinc/09/59/26/392095926.db2.gz IYPSEODBDBWUCK-NSHDSACASA-N -1 0 300.384 -0.105 20 0 DBADRM CCCC(=O)N1CSC[C@@H]1C(=O)NCCc1nc(=O)o[n-]1 ZINC000279995527 130775197 /nfs/dbraw/zinc/77/51/97/130775197.db2.gz BCIKIZJZGBIMBO-MRVPVSSYSA-N -1 0 314.367 -0.277 20 0 DBADRM C[C@@]12CCC(=O)N1[C@H](C(=O)NCCc1nc(=O)o[n-]1)CS2 ZINC000279999993 130775350 /nfs/dbraw/zinc/77/53/50/130775350.db2.gz BNPPXQSBQXVZMS-JVXZTZIISA-N -1 0 312.351 -0.524 20 0 DBADRM O=C([O-])C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000274132999 392122803 /nfs/dbraw/zinc/12/28/03/392122803.db2.gz FNDKFQDCTVGJFX-UHFFFAOYSA-N -1 0 305.334 -0.468 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)Cc1ccccc1F)C(=O)[O-] ZINC000275053319 392123049 /nfs/dbraw/zinc/12/30/49/392123049.db2.gz IMBVSVUOUQXQMH-JTQLQIEISA-N -1 0 318.326 -0.036 20 0 DBADRM O=C([O-])C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000274219675 392123123 /nfs/dbraw/zinc/12/31/23/392123123.db2.gz YPBNUUMJUXFVAQ-UHFFFAOYSA-N -1 0 312.347 -0.255 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)Cc1ccccc1F)C(=O)[O-] ZINC000275053323 392123367 /nfs/dbraw/zinc/12/33/67/392123367.db2.gz IMBVSVUOUQXQMH-SNVBAGLBSA-N -1 0 318.326 -0.036 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC000281294766 130850697 /nfs/dbraw/zinc/85/06/97/130850697.db2.gz SUDNZXKORWZTIB-IUODEOHRSA-N -1 0 310.350 -0.008 20 0 DBADRM COc1cncc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 ZINC000281911939 130891829 /nfs/dbraw/zinc/89/18/29/130891829.db2.gz PVTBIKXOMKLEJC-VIFPVBQESA-N -1 0 317.323 -0.913 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000583934831 392352810 /nfs/dbraw/zinc/35/28/10/392352810.db2.gz XTEDWRJCPWCIOH-QMMMGPOBSA-N -1 0 307.306 -0.036 20 0 DBADRM CCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000035094993 392350417 /nfs/dbraw/zinc/35/04/17/392350417.db2.gz WACNGXPRCHVZCQ-UHFFFAOYSA-N -1 0 300.336 -0.272 20 0 DBADRM CCCN(C(=O)c1cnc([O-])n(C)c1=O)[C@@H]1CC(=O)N(C)C1=O ZINC000283701811 131014172 /nfs/dbraw/zinc/01/41/72/131014172.db2.gz YLCOFJXKPKTBGE-SECBINFHSA-N -1 0 322.321 -0.905 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)CCc1ccccc1 ZINC000035384559 392358988 /nfs/dbraw/zinc/35/89/88/392358988.db2.gz LDWAPHGISDFQBA-UHFFFAOYSA-N -1 0 300.336 -0.651 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccoc1 ZINC000284975536 131127671 /nfs/dbraw/zinc/12/76/71/131127671.db2.gz FNLSLYOJPOKZGC-MRVPVSSYSA-N -1 0 309.321 -0.848 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-] ZINC000285210136 131148076 /nfs/dbraw/zinc/14/80/76/131148076.db2.gz RSZMNHZPHNYJNP-LLVKDONJSA-N -1 0 305.356 -0.520 20 0 DBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccoc1 ZINC000285307135 131156229 /nfs/dbraw/zinc/15/62/29/131156229.db2.gz YUADBOBNXBJTEA-VXNVDRBHSA-N -1 0 302.308 -0.381 20 0 DBADRM COc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1C(=O)[O-] ZINC000036894156 392368441 /nfs/dbraw/zinc/36/84/41/392368441.db2.gz QQXGSNUMSOJFPI-UHFFFAOYSA-N -1 0 314.319 -0.486 20 0 DBADRM C[C@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-] ZINC000036965585 392368551 /nfs/dbraw/zinc/36/85/51/392368551.db2.gz XJBRAVUABTUGBL-CPCISQLKSA-N -1 0 301.320 -0.266 20 0 DBADRM COc1ccc(S(=O)(=O)N(C)CC(N)=O)cc1C(=O)[O-] ZINC000037268728 392372393 /nfs/dbraw/zinc/37/23/93/392372393.db2.gz MAERVMFTFYZRLO-UHFFFAOYSA-N -1 0 302.308 -0.501 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000037406680 392373436 /nfs/dbraw/zinc/37/34/36/392373436.db2.gz IWBPFTBRNJJPIY-JTQLQIEISA-N -1 0 317.319 -0.413 20 0 DBADRM COC(=O)c1sccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000037417360 392373658 /nfs/dbraw/zinc/37/36/58/392373658.db2.gz AQEZVKCXCGTEAI-VDTYLAMSSA-N -1 0 323.348 -0.353 20 0 DBADRM Cc1cc(F)ccc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000037375358 392373986 /nfs/dbraw/zinc/37/39/86/392373986.db2.gz QOWYUULJSYFKHC-QMMMGPOBSA-N -1 0 304.299 -0.259 20 0 DBADRM CCCCN(C)S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000037420128 392374072 /nfs/dbraw/zinc/37/40/72/392374072.db2.gz JQQNUPMDBONXII-JTQLQIEISA-N -1 0 304.372 -0.028 20 0 DBADRM Cc1ccc(F)cc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000037377018 392374134 /nfs/dbraw/zinc/37/41/34/392374134.db2.gz KVQBPTQVDSGJFC-QMMMGPOBSA-N -1 0 304.299 -0.259 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H](C)CN1CCCC1=O ZINC000285980340 131213454 /nfs/dbraw/zinc/21/34/54/131213454.db2.gz FPYXNARKWLIGIZ-VIFPVBQESA-N -1 0 303.384 -0.476 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000037374629 392374180 /nfs/dbraw/zinc/37/41/80/392374180.db2.gz XEOSOAHWOMKQCB-SECBINFHSA-N -1 0 322.289 -0.038 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC000037414770 392374213 /nfs/dbraw/zinc/37/42/13/392374213.db2.gz BMUAMDCBIQAQLL-XCBNKYQSSA-N -1 0 317.319 -0.415 20 0 DBADRM Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000287124828 131265261 /nfs/dbraw/zinc/26/52/61/131265261.db2.gz GISKKUYAVVWILY-LURJTMIESA-N -1 0 321.742 -0.350 20 0 DBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)NCC(=O)[O-])cn1C ZINC000287218824 131269670 /nfs/dbraw/zinc/26/96/70/131269670.db2.gz NATLADIANJWCPC-UHFFFAOYSA-N -1 0 318.307 -0.866 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000037909124 392377999 /nfs/dbraw/zinc/37/79/99/392377999.db2.gz NQGPMIXSBHNGIP-QMMMGPOBSA-N -1 0 313.253 -0.084 20 0 DBADRM CCCN(CC(=O)NC)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000038100397 392379749 /nfs/dbraw/zinc/37/97/49/392379749.db2.gz UYWJDZNTSVYXFV-UHFFFAOYSA-N -1 0 317.367 -0.130 20 0 DBADRM COCCCO[N-]C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000288173495 131314840 /nfs/dbraw/zinc/31/48/40/131314840.db2.gz OYDJRWOQMQQIIB-NSHDSACASA-N -1 0 315.351 -0.199 20 0 DBADRM O=C(NCCNC(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccn[nH]1 ZINC000646955745 392392406 /nfs/dbraw/zinc/39/24/06/392392406.db2.gz PEEQTJRWTALSDV-UHFFFAOYSA-N -1 0 316.277 -0.189 20 0 DBADRM CCOC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC000222468567 392432055 /nfs/dbraw/zinc/43/20/55/392432055.db2.gz GULSCADQWBHBNV-VHSXEESVSA-N -1 0 300.311 -0.081 20 0 DBADRM O=C([O-])Cn1cc(CNS(=O)(=O)c2ccsc2)nn1 ZINC000560418696 392520001 /nfs/dbraw/zinc/52/00/01/392520001.db2.gz DBTFSANMUPWGOO-UHFFFAOYSA-N -1 0 302.337 -0.097 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)C2COC2)C1=O ZINC000561174601 392535899 /nfs/dbraw/zinc/53/58/99/392535899.db2.gz ZPDVZYRPUVYTNE-VHSXEESVSA-N -1 0 320.367 -0.985 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1=O ZINC000559260545 392480917 /nfs/dbraw/zinc/48/09/17/392480917.db2.gz LNCQZXGKBKVTLV-VIFPVBQESA-N -1 0 317.305 -0.712 20 0 DBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000040699865 392482805 /nfs/dbraw/zinc/48/28/05/392482805.db2.gz OTOVQVGSCUJYCO-SNVBAGLBSA-N -1 0 301.320 -0.265 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c(OC)c1 ZINC000040699299 392483025 /nfs/dbraw/zinc/48/30/25/392483025.db2.gz ZMQPGMLDIDREET-VIFPVBQESA-N -1 0 319.335 -0.182 20 0 DBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000647219407 392484631 /nfs/dbraw/zinc/48/46/31/392484631.db2.gz BCQONOMFYVEHCZ-JTQLQIEISA-N -1 0 319.321 -0.160 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)o1 ZINC000374439674 392486109 /nfs/dbraw/zinc/48/61/09/392486109.db2.gz BFADYEQPVUVCCJ-LLVKDONJSA-N -1 0 319.291 -0.412 20 0 DBADRM COC(=O)c1cc(F)ccc1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000274880506 292001734 /nfs/dbraw/zinc/00/17/34/292001734.db2.gz CRLUEWDUERFIOL-MRVPVSSYSA-N -1 0 321.282 -0.664 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000042266687 392497446 /nfs/dbraw/zinc/49/74/46/392497446.db2.gz QCCBSOHGBLSVPZ-UHFFFAOYSA-N -1 0 304.324 -0.093 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])c1 ZINC000559432166 392504483 /nfs/dbraw/zinc/50/44/83/392504483.db2.gz XMQOKTBNWGHNHB-SCZZXKLOSA-N -1 0 315.351 -0.165 20 0 DBADRM Cn1cnn(CCC(=O)NC2(c3nnn[n-]3)CCCC2)c1=O ZINC000559888752 392513493 /nfs/dbraw/zinc/51/34/93/392513493.db2.gz UGKBJBIPFZSDGG-UHFFFAOYSA-N -1 0 306.330 -0.929 20 0 DBADRM CO[C@H](CNC(=O)c1nn(C)c2ccccc2c1=O)C(=O)[O-] ZINC000427747756 392552877 /nfs/dbraw/zinc/55/28/77/392552877.db2.gz VMTOKOOZYLYWTQ-SNVBAGLBSA-N -1 0 305.290 -0.237 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000427717463 392553042 /nfs/dbraw/zinc/55/30/42/392553042.db2.gz HHOMWWXBOOMTGB-MRVPVSSYSA-N -1 0 322.321 -0.982 20 0 DBADRM CN(CC(=O)[O-])C(=O)CNC(=O)c1cnc2ccccc2c1O ZINC000427746934 392553271 /nfs/dbraw/zinc/55/32/71/392553271.db2.gz SGUPUNVZVKJXTK-UHFFFAOYSA-N -1 0 317.301 -0.199 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CS(=O)(=O)c1ncc[n-]1 ZINC000448114533 392556264 /nfs/dbraw/zinc/55/62/64/392556264.db2.gz UWQJXIRGLAIJIY-UHFFFAOYSA-N -1 0 302.356 -0.786 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000168816643 392569697 /nfs/dbraw/zinc/56/96/97/392569697.db2.gz NFZKBZNBQPCDKC-QMMMGPOBSA-N -1 0 320.323 -0.024 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CCCS(C)(=O)=O ZINC000643850667 392573324 /nfs/dbraw/zinc/57/33/24/392573324.db2.gz XJWWJDQXVPXJPC-LBPRGKRZSA-N -1 0 307.368 -0.097 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CN1CCCS1(=O)=O ZINC000643849213 392573861 /nfs/dbraw/zinc/57/38/61/392573861.db2.gz WMHRLTQIMBCETO-LBPRGKRZSA-N -1 0 320.367 -0.886 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CS(=O)(=O)C(C)C ZINC000643849603 392574151 /nfs/dbraw/zinc/57/41/51/392574151.db2.gz BOSVWEHBHBBPME-GFCCVEGCSA-N -1 0 307.368 -0.098 20 0 DBADRM CN(C)c1ccnc(C(=O)N2Cc3nncn3C[C@H]2C(=O)[O-])c1 ZINC000643858485 392574378 /nfs/dbraw/zinc/57/43/78/392574378.db2.gz DRVGZQKKRXQJHE-NSHDSACASA-N -1 0 316.321 -0.152 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000643879454 392580495 /nfs/dbraw/zinc/58/04/95/392580495.db2.gz SLPPKQNTYWPGRP-YGRLFVJLSA-N -1 0 315.370 -0.855 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)Cc2cnn(C)c2)C[C@H]1C(=O)[O-] ZINC000647500818 392616746 /nfs/dbraw/zinc/61/67/46/392616746.db2.gz LKQNFRWDZOWFCP-CMPLNLGQSA-N -1 0 322.365 -0.052 20 0 DBADRM CCc1cc(=O)[nH]c(CN2Cc3nncn3C[C@H]2C(=O)[O-])n1 ZINC000643880738 392582533 /nfs/dbraw/zinc/58/25/33/392582533.db2.gz WAMICVBZQRBKGI-VIFPVBQESA-N -1 0 304.310 -0.195 20 0 DBADRM O=C([O-])[C@H]1Cn2cnnc2CN1CC(=O)N1CCCCCC1 ZINC000643881774 392582928 /nfs/dbraw/zinc/58/29/28/392582928.db2.gz VFSIRDDBXWXPQX-LLVKDONJSA-N -1 0 307.354 -0.051 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2CO)c1 ZINC000647481792 392591513 /nfs/dbraw/zinc/59/15/13/392591513.db2.gz MGIVVEASHQDREL-MNOVXSKESA-N -1 0 308.290 -0.723 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C[C@H](CO)O1 ZINC000647481805 392591721 /nfs/dbraw/zinc/59/17/21/392591721.db2.gz PEUBVXLNRQKWAM-JOYOIKCWSA-N -1 0 322.317 -0.069 20 0 DBADRM COC[C@H](O)CCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000647481334 392592050 /nfs/dbraw/zinc/59/20/50/392592050.db2.gz MMDCFOVCOSMUDO-LLVKDONJSA-N -1 0 310.306 -0.163 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1)C(=O)[O-] ZINC000647487890 392596552 /nfs/dbraw/zinc/59/65/52/392596552.db2.gz GPOUEROKBOUGLB-JTQLQIEISA-N -1 0 307.306 -0.368 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1cccc2c1CNC2=O)C(=O)[O-] ZINC000647489691 392597573 /nfs/dbraw/zinc/59/75/73/392597573.db2.gz ZEUJEUWSIUYSCK-VIFPVBQESA-N -1 0 305.290 -0.152 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cnn(C)c1C ZINC000643971411 392603026 /nfs/dbraw/zinc/60/30/26/392603026.db2.gz OZZYMNMUFXHXCV-LBPRGKRZSA-N -1 0 317.367 -0.017 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccnn1C ZINC000643971312 392603534 /nfs/dbraw/zinc/60/35/34/392603534.db2.gz IXURDLVCFQJUGQ-NSHDSACASA-N -1 0 303.340 -0.326 20 0 DBADRM CC[C@H](C)CO[N-]C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000292185719 131631697 /nfs/dbraw/zinc/63/16/97/131631697.db2.gz MSAOLACRUMBRDB-VIFPVBQESA-N -1 0 323.353 -0.472 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@](O)(CC(=O)N(C)C)C2)c1[O-] ZINC000644025550 392609862 /nfs/dbraw/zinc/60/98/62/392609862.db2.gz AXXOKVNTMRBIEO-AWEZNQCLSA-N -1 0 310.354 -0.131 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)NCc3nnn(C)n3)cc2=O)cc1 ZINC000428519695 392548325 /nfs/dbraw/zinc/54/83/25/392548325.db2.gz DXZNVHQRUDGMAU-UHFFFAOYSA-N -1 0 313.321 -0.072 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2nc(C)n(C)n2)cn1C ZINC000427642624 392549639 /nfs/dbraw/zinc/54/96/39/392549639.db2.gz ROCOZVZKQLABBN-UHFFFAOYSA-N -1 0 312.355 -0.378 20 0 DBADRM CC[C@@H]1CC[C@@H](C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)O1 ZINC000424237101 392665681 /nfs/dbraw/zinc/66/56/81/392665681.db2.gz HNPMMSGMPRILDU-KXUCPTDWSA-N -1 0 305.352 -0.346 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)CCS1(=O)=O ZINC000424242966 392666869 /nfs/dbraw/zinc/66/68/69/392666869.db2.gz MPCSZLNOALEXSS-SNVBAGLBSA-N -1 0 313.335 -0.389 20 0 DBADRM COCCC1(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCC1 ZINC000424255661 392667067 /nfs/dbraw/zinc/66/70/67/392667067.db2.gz LZLXNKFHBAOYNF-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM CCc1noc(C)c1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424256801 392667089 /nfs/dbraw/zinc/66/70/89/392667089.db2.gz MRWZIIIXFREDKS-VIFPVBQESA-N -1 0 316.335 -0.131 20 0 DBADRM CCc1cc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)[nH]n1 ZINC000424247346 392667111 /nfs/dbraw/zinc/66/71/11/392667111.db2.gz QUSXKILIHDWRJE-VIFPVBQESA-N -1 0 301.324 -0.704 20 0 DBADRM CCc1ccnc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424251676 392667324 /nfs/dbraw/zinc/66/73/24/392667324.db2.gz VPYVWEQCNXVPLP-LLVKDONJSA-N -1 0 312.347 -0.032 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CC[C@@H]2CCCO2)CCS1(=O)=O ZINC000424248672 392667662 /nfs/dbraw/zinc/66/76/62/392667662.db2.gz SJKKZACDAVKRKY-VHSXEESVSA-N -1 0 305.352 -0.344 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)NCc1cn(C)nn1)C(=O)[O-] ZINC000644202028 392693249 /nfs/dbraw/zinc/69/32/49/392693249.db2.gz PBDJCZFXQVMQTB-UHFFFAOYSA-N -1 0 311.342 -0.562 20 0 DBADRM CCOCCCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424390634 392668345 /nfs/dbraw/zinc/66/83/45/392668345.db2.gz FTEMXTLKYXEUAS-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM COCC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424396718 392668374 /nfs/dbraw/zinc/66/83/74/392668374.db2.gz QUECDICPQVONDJ-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM COC[C@@H]1CCN(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424363147 392668382 /nfs/dbraw/zinc/66/83/82/392668382.db2.gz BDXGCLVPAMEPEL-NXEZZACHSA-N -1 0 320.367 -0.742 20 0 DBADRM CO[C@@H](C)CCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424399104 392668658 /nfs/dbraw/zinc/66/86/58/392668658.db2.gz WRUISXXYCFRKSH-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM CC[C@@H](CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)OC ZINC000424395929 392668827 /nfs/dbraw/zinc/66/88/27/392668827.db2.gz FWDGGLCTYZBJES-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM COC[C@H]1CCN(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424363151 392668833 /nfs/dbraw/zinc/66/88/33/392668833.db2.gz BDXGCLVPAMEPEL-UWVGGRQHSA-N -1 0 320.367 -0.742 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCc2ccco2)CCS1(=O)=O ZINC000424387685 392668842 /nfs/dbraw/zinc/66/88/42/392668842.db2.gz JDWZKAPDUZOTTH-SECBINFHSA-N -1 0 302.308 -0.327 20 0 DBADRM CO[C@H](C)[C@@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424398601 392668855 /nfs/dbraw/zinc/66/88/55/392668855.db2.gz OOGIXOOAKOILMS-IWSPIJDZSA-N -1 0 308.356 -0.697 20 0 DBADRM CO[C@@H](C)[C@@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424398599 392668898 /nfs/dbraw/zinc/66/88/98/392668898.db2.gz OOGIXOOAKOILMS-HRDYMLBCSA-N -1 0 308.356 -0.697 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@H]2CCC[C@H]2F)CCS1(=O)=O ZINC000424394837 392669181 /nfs/dbraw/zinc/66/91/81/392669181.db2.gz DTTSEKVSWRUEAW-HRDYMLBCSA-N -1 0 308.331 -0.230 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CC[C@H](F)C2)CCS1(=O)=O ZINC000424400929 392670460 /nfs/dbraw/zinc/67/04/60/392670460.db2.gz WQQMHJVXTVTBSX-CIUDSAMLSA-N -1 0 308.331 -0.230 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@H]2CCCS2)CCS1(=O)=O ZINC000424404455 392670502 /nfs/dbraw/zinc/67/05/02/392670502.db2.gz GMCMWEWIKTWKBM-BDAKNGLRSA-N -1 0 322.408 -0.225 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCOCC2CC2)CCS1(=O)=O ZINC000424405683 392670533 /nfs/dbraw/zinc/67/05/33/392670533.db2.gz IIEMRYLUMKEDFV-JTQLQIEISA-N -1 0 320.367 -0.694 20 0 DBADRM O=C([O-])[C@H]1CN(c2cc(NC3CC3)ncn2)CCS1(=O)=O ZINC000424468070 392671733 /nfs/dbraw/zinc/67/17/33/392671733.db2.gz IJZVBZVJTLLWKF-SECBINFHSA-N -1 0 312.351 -0.261 20 0 DBADRM CN(C)c1nccc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424468067 392672494 /nfs/dbraw/zinc/67/24/94/392672494.db2.gz IJTYJSDFLXVLTJ-MRVPVSSYSA-N -1 0 300.340 -0.769 20 0 DBADRM CCc1nnc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)nc1CC ZINC000424469965 392672868 /nfs/dbraw/zinc/67/28/68/392672868.db2.gz LCLVHZQYEVYJCW-SNVBAGLBSA-N -1 0 314.367 -0.316 20 0 DBADRM C[C@@H]1CSC[C@@H]1NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424455317 392672897 /nfs/dbraw/zinc/67/28/97/392672897.db2.gz UTGOBGPPRKELOV-HRDYMLBCSA-N -1 0 322.408 -0.369 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647502917 392619539 /nfs/dbraw/zinc/61/95/39/392619539.db2.gz YFBGPNVKVCQXSV-SECBINFHSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)[C@H]1CO ZINC000647504302 392623517 /nfs/dbraw/zinc/62/35/17/392623517.db2.gz PSEHZKMDASUQDU-MNOVXSKESA-N -1 0 312.366 -0.071 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@]2(OC)CCOC2)C1 ZINC000319245161 392624164 /nfs/dbraw/zinc/62/41/64/392624164.db2.gz YHXNPJCMBUOWCH-ZIAGYGMSSA-N -1 0 316.354 -0.075 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CC[C@@H](n2cncn2)C1)C(=O)[O-] ZINC000644202990 392694967 /nfs/dbraw/zinc/69/49/67/392694967.db2.gz NTKYIYDKKJIDMB-SNVBAGLBSA-N -1 0 323.353 -0.331 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(c3cncc4ncnn43)C2)nn1 ZINC000644168843 392626471 /nfs/dbraw/zinc/62/64/71/392626471.db2.gz GUTMHPRWCVEEFR-QMMMGPOBSA-N -1 0 300.282 -0.135 20 0 DBADRM CC(C)[C@](C)(O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000174441135 392627492 /nfs/dbraw/zinc/62/74/92/392627492.db2.gz AQNANEQDWWLLBT-CQSZACIVSA-N -1 0 306.322 -0.252 20 0 DBADRM CC(C)(C)OCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000644175971 392629638 /nfs/dbraw/zinc/62/96/38/392629638.db2.gz SXFCHJSOPSQUGO-VIFPVBQESA-N -1 0 322.383 -0.305 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000647581347 392647741 /nfs/dbraw/zinc/64/77/41/392647741.db2.gz ZJAWKCHLGPAZIK-JOYOIKCWSA-N -1 0 320.349 -0.030 20 0 DBADRM NC(=O)c1cccc(CNC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000647580248 392647759 /nfs/dbraw/zinc/64/77/59/392647759.db2.gz FMOLFOSKIUFRHK-UHFFFAOYSA-N -1 0 307.306 -0.617 20 0 DBADRM CN(C)C(=O)CCCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647581522 392647762 /nfs/dbraw/zinc/64/77/62/392647762.db2.gz CPRJGFJCOYREDS-VHSXEESVSA-N -1 0 313.354 -0.660 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000647584584 392647828 /nfs/dbraw/zinc/64/78/28/392647828.db2.gz IZBSIBKJZKPVIR-KXUCPTDWSA-N -1 0 323.349 -0.765 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC000647580226 392647836 /nfs/dbraw/zinc/64/78/36/392647836.db2.gz DJGGRFAOQVPBNF-DVVUODLYSA-N -1 0 320.349 -0.247 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCC1=O ZINC000647584154 392647849 /nfs/dbraw/zinc/64/78/49/392647849.db2.gz UXTHOKZJXKGOKR-AEJSXWLSSA-N -1 0 311.338 -0.907 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCC(=O)N2)C1 ZINC000647584467 392647964 /nfs/dbraw/zinc/64/79/64/392647964.db2.gz DVIAODGCJOJZOP-KXUCPTDWSA-N -1 0 311.338 -0.859 20 0 DBADRM COCCOCCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647581991 392648034 /nfs/dbraw/zinc/64/80/34/392648034.db2.gz WTXJTJBLHINEPR-VHSXEESVSA-N -1 0 302.327 -0.865 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000647581346 392648148 /nfs/dbraw/zinc/64/81/48/392648148.db2.gz ZJAWKCHLGPAZIK-CABZTGNLSA-N -1 0 320.349 -0.030 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2cn(C)nn2)C[C@@H]1C(=O)[O-] ZINC000647586143 392649269 /nfs/dbraw/zinc/64/92/69/392649269.db2.gz PLIGYLCGOYECEI-SCZZXKLOSA-N -1 0 309.326 -1.000 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCC(C)(C)O)C[C@H]1C(=O)[O-] ZINC000647585176 392649315 /nfs/dbraw/zinc/64/93/15/392649315.db2.gz GOTLZOIMCHYDHZ-NXEZZACHSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCC(C)(C)O)C[C@@H]1C(=O)[O-] ZINC000647585177 392649381 /nfs/dbraw/zinc/64/93/81/392649381.db2.gz GOTLZOIMCHYDHZ-UWVGGRQHSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H]([C@H](C)N(C)C(=O)C(=O)NCCCC(=O)[O-])S(C)(=O)=O ZINC000647589896 392649410 /nfs/dbraw/zinc/64/94/10/392649410.db2.gz KSAIYTSUGZPXPW-DTWKUNHWSA-N -1 0 322.383 -0.753 20 0 DBADRM C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000647590222 392649453 /nfs/dbraw/zinc/64/94/53/392649453.db2.gz CMRFPJUYURRZQL-XHNCKOQMSA-N -1 0 302.352 -0.691 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCC(C)(C)O)C[C@@H]1C(=O)[O-] ZINC000647585179 392649621 /nfs/dbraw/zinc/64/96/21/392649621.db2.gz GOTLZOIMCHYDHZ-ZJUUUORDSA-N -1 0 300.355 -0.167 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC2CCC(F)CC2)CCO1 ZINC000647590171 392649634 /nfs/dbraw/zinc/64/96/34/392649634.db2.gz AUEVRKYFAUCQHQ-ILDUYXDCSA-N -1 0 316.329 -0.057 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647585356 392649713 /nfs/dbraw/zinc/64/97/13/392649713.db2.gz NUQIFHIPIKFEED-GARJFASQSA-N -1 0 316.354 -0.476 20 0 DBADRM C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647593477 392650680 /nfs/dbraw/zinc/65/06/80/392650680.db2.gz RBHXHEMQNXHVDD-WRWGMCAJSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1c2nncn2CCN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647592858 392650768 /nfs/dbraw/zinc/65/07/68/392650768.db2.gz SJCNIOHOMKCDJG-KXUCPTDWSA-N -1 0 321.337 -0.449 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCOCC3(CC3)C2)C1 ZINC000647592458 392650848 /nfs/dbraw/zinc/65/08/48/392650848.db2.gz GNLHOXADEBQQEE-MNOVXSKESA-N -1 0 310.350 -0.005 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC(=O)N1C ZINC000647593028 392650879 /nfs/dbraw/zinc/65/08/79/392650879.db2.gz YTEHGCBNMYUEGU-KXUCPTDWSA-N -1 0 311.338 -0.955 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2[C@@H]3CC[C@H]2CNC(=O)C3)C1 ZINC000647591741 392650935 /nfs/dbraw/zinc/65/09/35/392650935.db2.gz ITWADDNQQWLMOW-YTWAJWBKSA-N -1 0 323.349 -0.765 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@]3(CCOC3)C2)C1 ZINC000647592573 392651124 /nfs/dbraw/zinc/65/11/24/392651124.db2.gz JXKMXGYGOGRFPR-ZETOZRRWSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3COC[C@@H]32)C1 ZINC000647593282 392652822 /nfs/dbraw/zinc/65/28/22/392652822.db2.gz JCWNTBVJPHZIBN-WYUUTHIRSA-N -1 0 310.350 -0.007 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1n1cccn1 ZINC000647602101 392654699 /nfs/dbraw/zinc/65/46/99/392654699.db2.gz BYWGQBKXSFUWNT-MRTMQBJTSA-N -1 0 320.309 -0.372 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOCC2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC000647617889 392655791 /nfs/dbraw/zinc/65/57/91/392655791.db2.gz YDDUPVILERZDIB-UTLUCORTSA-N -1 0 308.356 -0.874 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(S(=O)(=O)NC3CC3)C2)nn1 ZINC000647623807 392657658 /nfs/dbraw/zinc/65/76/58/392657658.db2.gz FREPJFKJQLLEOU-VIFPVBQESA-N -1 0 315.355 -0.390 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NCCCn1cncn1)C(=O)[O-] ZINC000644200677 392692850 /nfs/dbraw/zinc/69/28/50/392692850.db2.gz GKYQISAECBHQGB-UHFFFAOYSA-N -1 0 311.342 -0.599 20 0 DBADRM COc1cncc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)c1 ZINC000644573046 392779260 /nfs/dbraw/zinc/77/92/60/392779260.db2.gz LUZRKUXXGBPKKF-UHFFFAOYSA-N -1 0 316.335 -0.310 20 0 DBADRM CCOC(=O)N1CCC(C(=O)[N-]S(=O)(=O)CCOC)CC1 ZINC000491478047 392781535 /nfs/dbraw/zinc/78/15/35/392781535.db2.gz YDLCUEHKWRXHSA-UHFFFAOYSA-N -1 0 322.383 -0.053 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC ZINC000497218405 392803711 /nfs/dbraw/zinc/80/37/11/392803711.db2.gz JEVJSMWPGQRZRU-SFYZADRCSA-N -1 0 324.355 -0.624 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N=c2[n-]nc3nc[nH]n32)cc1 ZINC000647737649 392833376 /nfs/dbraw/zinc/83/33/76/392833376.db2.gz SGOGQYYBSVOBJM-UHFFFAOYSA-N -1 0 300.282 -0.705 20 0 DBADRM CN1CC[C@H](C(=O)NCc2ccc(C(=O)[O-])o2)S1(=O)=O ZINC000647737205 392833434 /nfs/dbraw/zinc/83/34/34/392833434.db2.gz JIKZNYMIGLPWMQ-SECBINFHSA-N -1 0 302.308 -0.372 20 0 DBADRM COc1ccnc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000647742955 392835985 /nfs/dbraw/zinc/83/59/85/392835985.db2.gz RQJYCNVBAWBART-JTQLQIEISA-N -1 0 314.319 -0.586 20 0 DBADRM COc1ccnc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000647742956 392836068 /nfs/dbraw/zinc/83/60/68/392836068.db2.gz RQJYCNVBAWBART-SNVBAGLBSA-N -1 0 314.319 -0.586 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000647742852 392836174 /nfs/dbraw/zinc/83/61/74/392836174.db2.gz PHMZFNHIPZEGLQ-KXUCPTDWSA-N -1 0 304.368 -0.268 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000647784170 392886239 /nfs/dbraw/zinc/88/62/39/392886239.db2.gz KZEMPLJNBSHETC-SECBINFHSA-N -1 0 309.326 -0.052 20 0 DBADRM CCNC(=O)CCCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000262243794 392901039 /nfs/dbraw/zinc/90/10/39/392901039.db2.gz PHCPVTZBNRYHAU-JTQLQIEISA-N -1 0 315.370 -0.269 20 0 DBADRM Cn1cc(N2CC[C@H](NS(=O)(=O)c3ncc[n-]3)C2=O)cn1 ZINC000647898839 392919551 /nfs/dbraw/zinc/91/95/51/392919551.db2.gz PYHZZLINYXPNHY-VIFPVBQESA-N -1 0 310.339 -0.773 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647763188 392850468 /nfs/dbraw/zinc/85/04/68/392850468.db2.gz PZELZMHSAIBDKR-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM CC[C@H](NC(=O)c1cc(OC)c(S(N)(=O)=O)s1)C(=O)[O-] ZINC000647769380 392859937 /nfs/dbraw/zinc/85/99/37/392859937.db2.gz VGKVSHJTTJJFQL-YFKPBYRVSA-N -1 0 322.364 -0.003 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000647773408 392868347 /nfs/dbraw/zinc/86/83/47/392868347.db2.gz YBHJCVFXCMEPSI-WCBMZHEXSA-N -1 0 311.342 -0.111 20 0 DBADRM CC(C)(CO)O[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000297125526 132001201 /nfs/dbraw/zinc/00/12/01/132001201.db2.gz HFDHELSWIOMAOH-LBPRGKRZSA-N -1 0 320.349 -0.075 20 0 DBADRM CN(CC(=O)Nc1cccc(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC000298321894 132056812 /nfs/dbraw/zinc/05/68/12/132056812.db2.gz WLODVLJZNWXRCP-UHFFFAOYSA-N -1 0 310.339 -0.303 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cn(C)c(C)n1 ZINC000647927292 392936169 /nfs/dbraw/zinc/93/61/69/392936169.db2.gz IIVAEUCDDBWNIM-LBPRGKRZSA-N -1 0 317.367 -0.017 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000647902245 392920801 /nfs/dbraw/zinc/92/08/01/392920801.db2.gz DZUNKLFLVQHMST-NSHDSACASA-N -1 0 300.384 -0.248 20 0 DBADRM Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)[O-])c(C)s1 ZINC000274167091 392937792 /nfs/dbraw/zinc/93/77/92/392937792.db2.gz LXESWQVZXNTDOJ-UHFFFAOYSA-N -1 0 306.365 -0.156 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000274167302 392937958 /nfs/dbraw/zinc/93/79/58/392937958.db2.gz MESCWVCKXDIMQO-LBPRGKRZSA-N -1 0 308.334 -0.345 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cc1F ZINC000274305428 392939620 /nfs/dbraw/zinc/93/96/20/392939620.db2.gz AQWXWZBSLYASQM-UHFFFAOYSA-N -1 0 317.298 -0.078 20 0 DBADRM COC(=O)Cc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])s1 ZINC000274950578 392940950 /nfs/dbraw/zinc/94/09/50/392940950.db2.gz SMVUHCNGVGXTJJ-SSDOTTSWSA-N -1 0 323.348 -0.813 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000042702518 132151079 /nfs/dbraw/zinc/15/10/79/132151079.db2.gz GBXARCDOUZTMLE-NXEZZACHSA-N -1 0 322.383 -0.089 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N(CCO)CC(=O)[O-])c1C ZINC000275223375 392943485 /nfs/dbraw/zinc/94/34/85/392943485.db2.gz DPIGDMNNPWIWFJ-UHFFFAOYSA-N -1 0 305.356 -0.413 20 0 DBADRM CC(C)[C@H](NC(=O)c1cnc([O-])n(C)c1=O)c1nncn1C ZINC000340753823 132178006 /nfs/dbraw/zinc/17/80/06/132178006.db2.gz RWJOHDPJDMIQSS-VIFPVBQESA-N -1 0 306.326 -0.259 20 0 DBADRM Cc1[nH]nc([N-]S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)c1C(N)=O ZINC000340986632 392981542 /nfs/dbraw/zinc/98/15/42/392981542.db2.gz VGRABJYYJUOMGE-BQBZGAKWSA-N -1 0 317.371 -0.417 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2cncc(C(N)=O)n2)C1=O ZINC000416449508 393006296 /nfs/dbraw/zinc/00/62/96/393006296.db2.gz WAUVBZZYGLOYLS-LDYMZIIASA-N -1 0 321.337 -0.303 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)[N-]CC(F)(F)F)[C@@H](C)CN1CCO ZINC000416650215 393015048 /nfs/dbraw/zinc/01/50/48/393015048.db2.gz AINUFTCBQBNSMK-BDAKNGLRSA-N -1 0 319.349 -0.230 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC000331070267 393039786 /nfs/dbraw/zinc/03/97/86/393039786.db2.gz RPUBZUAQTSKMQU-DTWKUNHWSA-N -1 0 309.322 -0.243 20 0 DBADRM CCN(C)S(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417449107 393047262 /nfs/dbraw/zinc/04/72/62/393047262.db2.gz XJJGWYLSCMPCDB-UWVGGRQHSA-N -1 0 321.399 -0.517 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)N2CCOCC2)C1=O ZINC000417448810 393047353 /nfs/dbraw/zinc/04/73/53/393047353.db2.gz WMFGVOBHDVGIKB-WDEREUQCSA-N -1 0 313.354 -0.262 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c(F)c1 ZINC000264362010 393062547 /nfs/dbraw/zinc/06/25/47/393062547.db2.gz IOQSLAQHKYCVEL-UHFFFAOYSA-N -1 0 304.299 -0.387 20 0 DBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1C ZINC000348907029 393179314 /nfs/dbraw/zinc/17/93/14/393179314.db2.gz JSCZHKRWFQRPIA-SNVBAGLBSA-N -1 0 316.383 -0.142 20 0 DBADRM CC1(C)NC(=O)N(CCCC(=O)NC2(c3nnn[n-]3)CC2)C1=O ZINC000348275220 393135896 /nfs/dbraw/zinc/13/58/96/393135896.db2.gz IWYKQMHCOOIFHX-UHFFFAOYSA-N -1 0 321.341 -0.584 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000348282188 393135999 /nfs/dbraw/zinc/13/59/99/393135999.db2.gz MKZQYPUFEWGLLK-ZETCQYMHSA-N -1 0 316.387 -0.731 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000348278121 393136292 /nfs/dbraw/zinc/13/62/92/393136292.db2.gz TWIFAHSKKFHVAK-UHFFFAOYSA-N -1 0 300.278 -0.050 20 0 DBADRM CC(C)NC(=O)N1CCC[C@@H]1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000348278458 393136370 /nfs/dbraw/zinc/13/63/70/393136370.db2.gz BXLXSDCTRVKFQS-SECBINFHSA-N -1 0 307.358 -0.113 20 0 DBADRM Cc1ccc(S(N)(=O)=O)c(C(=O)NC(C)(C)c2nnn[n-]2)c1 ZINC000348482993 393151676 /nfs/dbraw/zinc/15/16/76/393151676.db2.gz YAYDKKUMVYWQSD-UHFFFAOYSA-N -1 0 324.366 -0.179 20 0 DBADRM NC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)n1 ZINC000349775919 393217313 /nfs/dbraw/zinc/21/73/13/393217313.db2.gz JZRHLDVJJSDUHP-UHFFFAOYSA-N -1 0 324.318 -0.102 20 0 DBADRM CC(C)(CC(N)=O)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000349855926 393219574 /nfs/dbraw/zinc/21/95/74/393219574.db2.gz DYUPTHRHOUMKKF-UHFFFAOYSA-N -1 0 305.294 -0.180 20 0 DBADRM O=C(CS(=O)(=O)c1n[nH]c(=O)[n-]1)NC(C1CC1)C1CC1 ZINC000350176655 393232832 /nfs/dbraw/zinc/23/28/32/393232832.db2.gz NQBWYOPDIAOQGD-UHFFFAOYSA-N -1 0 300.340 -0.411 20 0 DBADRM C[C@@H](CNC(=O)c1nn(-c2ccccc2)cc1[O-])S(N)(=O)=O ZINC000350629765 393243729 /nfs/dbraw/zinc/24/37/29/393243729.db2.gz RQOYIQZZSRZVAN-VIFPVBQESA-N -1 0 324.362 -0.015 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)N(CCO)C[C@@H](C)O)s[n-]1 ZINC000350702273 393246070 /nfs/dbraw/zinc/24/60/70/393246070.db2.gz BDKOLLATGSMFNY-HTQZYQBOSA-N -1 0 304.372 -0.126 20 0 DBADRM C[C@](O)(CNC(=O)Cn1ncc(=O)c2ccccc21)C(=O)[O-] ZINC000349051103 393186727 /nfs/dbraw/zinc/18/67/27/393186727.db2.gz VCHCDSNTXHRAAP-AWEZNQCLSA-N -1 0 305.290 -0.652 20 0 DBADRM C[C@](O)(CNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)[O-] ZINC000349051658 393187375 /nfs/dbraw/zinc/18/73/75/393187375.db2.gz VXHMLUDERRWTLC-NUPCCRGMSA-N -1 0 312.322 -0.887 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccc(=O)n(-c2ccccc2)n1)C(=O)[O-] ZINC000349078955 393190343 /nfs/dbraw/zinc/19/03/43/393190343.db2.gz GESUIMMBSKPTNY-OAHLLOKOSA-N -1 0 317.301 -0.202 20 0 DBADRM CC1(F)CC(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000332450456 393330460 /nfs/dbraw/zinc/33/04/60/393330460.db2.gz MFFWOOLGVWQPPC-JKDSDDBFSA-N -1 0 308.331 -0.230 20 0 DBADRM NC(=O)[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000352627904 393392475 /nfs/dbraw/zinc/39/24/75/393392475.db2.gz YXQJXLLDDVHIPS-BYPYZUCNSA-N -1 0 313.129 -0.833 20 0 DBADRM COc1n[nH]c(NC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)n1 ZINC000352643521 393393504 /nfs/dbraw/zinc/39/35/04/393393504.db2.gz KAANEIRGZMNFRT-SSDOTTSWSA-N -1 0 318.355 -0.266 20 0 DBADRM Cn1cc(C(=O)C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)cn1 ZINC000352098511 393347919 /nfs/dbraw/zinc/34/79/19/393347919.db2.gz RJRYXBCOMHXPDS-UHFFFAOYSA-N -1 0 313.277 -0.077 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)Cn2ccc(=O)n(C)c2=O)[n-]1 ZINC000352158831 393352573 /nfs/dbraw/zinc/35/25/73/393352573.db2.gz OGLSPUJFNKJHAM-UHFFFAOYSA-N -1 0 321.293 -0.915 20 0 DBADRM COc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000352317285 393365538 /nfs/dbraw/zinc/36/55/38/393365538.db2.gz FRHKVMQRWSYSTF-UHFFFAOYSA-N -1 0 313.339 -0.333 20 0 DBADRM CC[C@](C)(NC(=O)CNC(=O)c1ncccc1O)C(=O)OC ZINC000352362931 393370767 /nfs/dbraw/zinc/37/07/67/393370767.db2.gz PYYYGQRSDVTZQJ-AWEZNQCLSA-N -1 0 309.322 -0.025 20 0 DBADRM COc1c2cnn(C)c2ncc1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000357050181 393437331 /nfs/dbraw/zinc/43/73/31/393437331.db2.gz IOJXJMJNNWMPFP-UHFFFAOYSA-N -1 0 314.309 -0.091 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000648451788 393490552 /nfs/dbraw/zinc/49/05/52/393490552.db2.gz JWUNJMLYGUPSRL-LLVKDONJSA-N -1 0 308.290 -0.054 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)Cn1cc(Br)cn1 ZINC000648451361 393491319 /nfs/dbraw/zinc/49/13/19/393491319.db2.gz RSHHVGAIYRLDSV-QMMMGPOBSA-N -1 0 318.127 -0.042 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000648451141 393491353 /nfs/dbraw/zinc/49/13/53/393491353.db2.gz GIJOZRCXYVEWSN-GFCCVEGCSA-N -1 0 322.317 -0.134 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NCCN1CCC(O)CC1 ZINC000321535059 393492324 /nfs/dbraw/zinc/49/23/24/393492324.db2.gz SQEQXZOXARGNFO-UHFFFAOYSA-N -1 0 305.322 -0.571 20 0 DBADRM O=c1nc(CCNS(=O)(=O)CCC[C@H]2CCOC2)[n-]o1 ZINC000645686251 393492813 /nfs/dbraw/zinc/49/28/13/393492813.db2.gz BKYUQVLIRHAJQB-VIFPVBQESA-N -1 0 305.356 -0.359 20 0 DBADRM Cn1nnc2cc(S(=O)(=O)NCCc3nc(=O)o[n-]3)ccc21 ZINC000645686930 393492918 /nfs/dbraw/zinc/49/29/18/393492918.db2.gz VUOFGNKRGNIWAG-UHFFFAOYSA-N -1 0 324.322 -0.834 20 0 DBADRM CN1C(=O)C[C@H](NS(=O)(=O)CCCC2CCOCC2)C1=O ZINC000645695448 393494438 /nfs/dbraw/zinc/49/44/38/393494438.db2.gz DFJFICVXXALNSI-NSHDSACASA-N -1 0 318.395 -0.130 20 0 DBADRM NC(=O)CCn1ccc([N-]S(=O)(=O)CCOCC2CC2)n1 ZINC000424064483 393626262 /nfs/dbraw/zinc/62/62/62/393626262.db2.gz OGWCWTVNSTXMOP-UHFFFAOYSA-N -1 0 316.383 -0.073 20 0 DBADRM CC(C)n1ccc(C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])n1 ZINC000424233074 393634700 /nfs/dbraw/zinc/63/47/00/393634700.db2.gz PAOPAVJWWVANNF-SECBINFHSA-N -1 0 320.309 -0.130 20 0 DBADRM CCCc1nc(CN2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])no1 ZINC000424262810 393636098 /nfs/dbraw/zinc/63/60/98/393636098.db2.gz GSJOQRYHMADPHM-SSDOTTSWSA-N -1 0 308.298 -0.212 20 0 DBADRM CCc1ocnc1C(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424236785 393636187 /nfs/dbraw/zinc/63/61/87/393636187.db2.gz TXFXGKNHMCIAPI-LURJTMIESA-N -1 0 307.266 -0.357 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424365402 393637297 /nfs/dbraw/zinc/63/72/97/393637297.db2.gz GVKIOTRAUODDIJ-KXUCPTDWSA-N -1 0 306.384 -0.022 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCCC(C)(C)C(=O)[O-] ZINC000424391676 393638599 /nfs/dbraw/zinc/63/85/99/393638599.db2.gz NGIQSRZNTSEOEX-UHFFFAOYSA-N -1 0 310.372 -0.183 20 0 DBADRM CCC(CC)(CNC(=O)N1CC[C@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000424422305 393639406 /nfs/dbraw/zinc/63/94/06/393639406.db2.gz FHLBAXHCOGABTH-VIFPVBQESA-N -1 0 321.399 -0.050 20 0 DBADRM CC(C)(CCNC(=O)N1CC[C@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000424404095 393639505 /nfs/dbraw/zinc/63/95/05/393639505.db2.gz LGDVEAYUGYSZGA-QMMMGPOBSA-N -1 0 307.372 -0.440 20 0 DBADRM Cc1ccc(O)c(CN2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])n1 ZINC000424412178 393639582 /nfs/dbraw/zinc/63/95/82/393639582.db2.gz MPSRKFNLFNNMTK-SECBINFHSA-N -1 0 305.294 -0.138 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NCCNC(=O)C1CC1)C(=O)[O-] ZINC000424472599 393642243 /nfs/dbraw/zinc/64/22/43/393642243.db2.gz VJPDWNMRPZLKBU-UHFFFAOYSA-N -1 0 313.354 -0.754 20 0 DBADRM CC(C)NC(=O)CCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424479539 393643596 /nfs/dbraw/zinc/64/35/96/393643596.db2.gz HPDVSYTXLSLRAI-UHFFFAOYSA-N -1 0 315.370 -0.366 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@](C)(O)C1)C(=O)[O-] ZINC000424484990 393644213 /nfs/dbraw/zinc/64/42/13/393644213.db2.gz WILHOMRZWJTNDS-HZMBPMFUSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H](O)C[C@@H]1C)C(=O)[O-] ZINC000424486620 393644220 /nfs/dbraw/zinc/64/42/20/393644220.db2.gz FYZNKVRMNHLYMN-AXFHLTTASA-N -1 0 300.355 -0.169 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424484624 393644265 /nfs/dbraw/zinc/64/42/65/393644265.db2.gz VEQUCGSHLQUCRH-UHFFFAOYSA-N -1 0 301.343 -0.802 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1C[C@H](O)C[C@H]1C)C(=O)[O-] ZINC000424487539 393644980 /nfs/dbraw/zinc/64/49/80/393644980.db2.gz ICKDWKWQRYVBJF-NXEZZACHSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@H](O)C1)C(=O)[O-] ZINC000424486861 393645150 /nfs/dbraw/zinc/64/51/50/393645150.db2.gz GVECJFTZVPJQPR-QWRGUYRKSA-N -1 0 300.355 -0.167 20 0 DBADRM COc1ccnc(CNC(=O)C(=O)NCCCCCC(=O)[O-])n1 ZINC000424489051 393645183 /nfs/dbraw/zinc/64/51/83/393645183.db2.gz OGAXIYDXYPZNMY-UHFFFAOYSA-N -1 0 324.337 -0.137 20 0 DBADRM COc1ccnc(CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])n1 ZINC000424489622 393645297 /nfs/dbraw/zinc/64/52/97/393645297.db2.gz RFEPCKRNCQATOD-UHFFFAOYSA-N -1 0 324.337 -0.282 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424524359 393646591 /nfs/dbraw/zinc/64/65/91/393646591.db2.gz VCXMEOASNPDWNM-SNVBAGLBSA-N -1 0 315.370 -0.508 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCCOCC(N)=O)c1 ZINC000424730362 393652345 /nfs/dbraw/zinc/65/23/45/393652345.db2.gz NHEAJWNFSUIIQH-NRFANRHFSA-N -1 0 314.363 -0.579 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N2C[C@@H](O)C[C@H]2CO)c1 ZINC000424756293 393653573 /nfs/dbraw/zinc/65/35/73/393653573.db2.gz SKLQOMOTWSRTPC-ZPMVXHMNSA-N -1 0 313.375 -0.243 20 0 DBADRM C[C@@H](NC(=O)CNC(=O)c1cnc2ccccc2c1O)C(=O)[O-] ZINC000426686504 393671511 /nfs/dbraw/zinc/67/15/11/393671511.db2.gz FNJIFFRVKCFJRN-MRVPVSSYSA-N -1 0 317.301 -0.153 20 0 DBADRM C[C@H]1CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)CCN1CCO ZINC000428512751 393675158 /nfs/dbraw/zinc/67/51/58/393675158.db2.gz DRZRORLGKUKSFK-JTQLQIEISA-N -1 0 319.365 -0.188 20 0 DBADRM Cc1nc(C(C)(C)NS(=O)(=O)N(C)CCC(=O)[O-])no1 ZINC000645961841 393736965 /nfs/dbraw/zinc/73/69/65/393736965.db2.gz BDEKINSWSJNNKW-UHFFFAOYSA-N -1 0 306.344 -0.146 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)CCCC(=O)[O-] ZINC000645969049 393736971 /nfs/dbraw/zinc/73/69/71/393736971.db2.gz GOSTZWLGHYMVQP-MRVPVSSYSA-N -1 0 301.386 -0.454 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@@]3(CCOC3)C2)cn1 ZINC000645988528 393738948 /nfs/dbraw/zinc/73/89/48/393738948.db2.gz QNWROZAUKYYAKO-GFCCVEGCSA-N -1 0 315.351 -0.231 20 0 DBADRM CCOCCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1cnnn1C ZINC000646007312 393739587 /nfs/dbraw/zinc/73/95/87/393739587.db2.gz SHHUJZYCTGZQQZ-VIFPVBQESA-N -1 0 320.371 -0.437 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000646003050 393739788 /nfs/dbraw/zinc/73/97/88/393739788.db2.gz OPCIUPBFSNWKEA-MRVPVSSYSA-N -1 0 300.340 -0.310 20 0 DBADRM CC(C)N(CC(=O)[O-])S(=O)(=O)CCCN1CCOCC1 ZINC000646007234 393740203 /nfs/dbraw/zinc/74/02/03/393740203.db2.gz NRUPMJRTOLODRE-UHFFFAOYSA-N -1 0 308.400 -0.167 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000646014414 393740997 /nfs/dbraw/zinc/74/09/97/393740997.db2.gz PSROYYONVPGRHQ-ZETCQYMHSA-N -1 0 306.369 -0.604 20 0 DBADRM COc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cn1 ZINC000646042453 393742597 /nfs/dbraw/zinc/74/25/97/393742597.db2.gz YOHZIYSVZWRJML-VIFPVBQESA-N -1 0 316.335 -0.046 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-] ZINC000646031294 393742702 /nfs/dbraw/zinc/74/27/02/393742702.db2.gz BKPJCKDOIQDLMF-QMMMGPOBSA-N -1 0 320.371 -0.248 20 0 DBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000646032074 393743130 /nfs/dbraw/zinc/74/31/30/393743130.db2.gz XCIZBWNBNSUIBA-MRVPVSSYSA-N -1 0 301.324 -0.239 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000646043288 393744320 /nfs/dbraw/zinc/74/43/20/393744320.db2.gz AZXXLMXBGXXOTH-SCSAIBSYSA-N -1 0 302.234 -0.501 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000646045293 393745673 /nfs/dbraw/zinc/74/56/73/393745673.db2.gz FERGJAZUEOKTDK-BDAKNGLRSA-N -1 0 313.397 -0.406 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)CC[C@@H]2CCOC2)CCOCC1 ZINC000646045918 393746739 /nfs/dbraw/zinc/74/67/39/393746739.db2.gz MFQQNQBABFHQDD-JTQLQIEISA-N -1 0 307.368 -0.034 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646166390 393755519 /nfs/dbraw/zinc/75/55/19/393755519.db2.gz IIHBYIOCSSEBAF-NXEZZACHSA-N -1 0 302.327 -0.419 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)NCCCCC(=O)[O-] ZINC000646161937 393755521 /nfs/dbraw/zinc/75/55/21/393755521.db2.gz AEZUHBRPKKDCCA-UHFFFAOYSA-N -1 0 321.399 -0.082 20 0 DBADRM COC[C@](C)(O)CCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646159429 393755555 /nfs/dbraw/zinc/75/55/55/393755555.db2.gz GFAQJMPRGTYRJO-CYBMUJFWSA-N -1 0 318.370 -0.046 20 0 DBADRM CC(C)(C)N1CC[C@@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C1=O ZINC000646165993 393755580 /nfs/dbraw/zinc/75/55/80/393755580.db2.gz KXJMVDIYKYXPSU-ZJUUUORDSA-N -1 0 313.354 -0.119 20 0 DBADRM COCC(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000646173782 393756266 /nfs/dbraw/zinc/75/62/66/393756266.db2.gz OEFSIRJEWFCIOV-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H](C(=O)NCc1ccccc1)S(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000429895612 393699898 /nfs/dbraw/zinc/69/98/98/393699898.db2.gz BNUAEUGFFYHLFK-MRVPVSSYSA-N -1 0 310.335 -0.011 20 0 DBADRM Cc1cc(NC(=O)[C@H](C)S(=O)(=O)c2n[nH]c(=O)[n-]2)on1 ZINC000429904152 393700566 /nfs/dbraw/zinc/70/05/66/393700566.db2.gz ZPLPZGRGNDQNEO-YFKPBYRVSA-N -1 0 301.284 -0.392 20 0 DBADRM C[C@H](NC(=O)COc1ccccc1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000443513274 393718442 /nfs/dbraw/zinc/71/84/42/393718442.db2.gz VHRCLQUTTIOJOJ-VIFPVBQESA-N -1 0 319.321 -0.290 20 0 DBADRM CCNC(=O)C1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000443612250 393720229 /nfs/dbraw/zinc/72/02/29/393720229.db2.gz FCTSIVFQKDWWFI-UHFFFAOYSA-N -1 0 317.305 -0.356 20 0 DBADRM CNS(=O)(=O)CCNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000487400080 393766717 /nfs/dbraw/zinc/76/67/17/393766717.db2.gz ZDGOAABRUMGRFD-UHFFFAOYSA-N -1 0 324.362 -0.143 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000490710080 393790732 /nfs/dbraw/zinc/79/07/32/393790732.db2.gz KQUHPSOCSKDWEX-UHFFFAOYSA-N -1 0 304.328 -0.639 20 0 DBADRM COC(=O)NCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000490787086 393793725 /nfs/dbraw/zinc/79/37/25/393793725.db2.gz NDYSGMPRMKFTOT-UHFFFAOYSA-N -1 0 309.329 -0.796 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CCNC(=O)OC ZINC000491428802 393813784 /nfs/dbraw/zinc/81/37/84/393813784.db2.gz NRLSIRYKIGOPGL-UHFFFAOYSA-N -1 0 310.328 -0.868 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000370142004 292033190 /nfs/dbraw/zinc/03/31/90/292033190.db2.gz KAXGHIYZELWTOI-LLVKDONJSA-N -1 0 319.291 -0.412 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)c2cnc([O-])n(C)c2=O)n1C ZINC000288091014 285972750 /nfs/dbraw/zinc/97/27/50/285972750.db2.gz VYQWYNJMDZEXON-UHFFFAOYSA-N -1 0 321.293 -0.352 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CSCN1C(C)=O ZINC000330691707 292941260 /nfs/dbraw/zinc/94/12/60/292941260.db2.gz ZGMWORXJUXEBOQ-BXKDBHETSA-N -1 0 304.368 -0.096 20 0 DBADRM CN(CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC000262805894 289468308 /nfs/dbraw/zinc/46/83/08/289468308.db2.gz ASLURJIQMOEHSX-ATZCPNFKSA-N -1 0 304.368 -0.411 20 0 DBADRM COCCCS(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000262429542 292366610 /nfs/dbraw/zinc/36/66/10/292366610.db2.gz ODOWDJFVKGFUIK-VIFPVBQESA-N -1 0 310.372 -0.736 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000263441804 292370463 /nfs/dbraw/zinc/37/04/63/292370463.db2.gz MMJYCTIMKOBTDA-GFCCVEGCSA-N -1 0 322.383 -0.592 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000262236152 286646793 /nfs/dbraw/zinc/64/67/93/286646793.db2.gz ZFMDKMPBQPBPRK-JTQLQIEISA-N -1 0 318.395 -0.019 20 0 DBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000262427993 286644909 /nfs/dbraw/zinc/64/49/09/286644909.db2.gz RLJWYSSONWENPB-MNOVXSKESA-N -1 0 318.395 -0.020 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263355716 286649629 /nfs/dbraw/zinc/64/96/29/286649629.db2.gz QTUNGGNCACKFCJ-VHSXEESVSA-N -1 0 306.384 -0.163 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)NCCCC(=O)[O-])[C@H](C)C1 ZINC000263442609 286665532 /nfs/dbraw/zinc/66/55/32/286665532.db2.gz DZHUNYODLJFNGL-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000372495859 292433313 /nfs/dbraw/zinc/43/33/13/292433313.db2.gz IVPHSKQURMQTQD-GARJFASQSA-N -1 0 306.384 -0.006 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000370293556 292491255 /nfs/dbraw/zinc/49/12/55/292491255.db2.gz GZSYWTBIYKGZIY-MNOVXSKESA-N -1 0 324.399 -0.379 20 0 DBADRM CC[C@@H]1CC[C@@H](C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])O1 ZINC000333580837 287094122 /nfs/dbraw/zinc/09/41/22/287094122.db2.gz NXEWUOVXIKXPGD-HLTSFMKQSA-N -1 0 310.310 -0.263 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)CCCN1CCOCC1 ZINC000650236567 411638804 /nfs/dbraw/zinc/63/88/04/411638804.db2.gz YSFGXLCDSZHDRQ-LLVKDONJSA-N -1 0 308.400 -0.167 20 0 DBADRM COc1ccccc1CN1C(=O)C[C@H](NCc2nnn[n-]2)C1=O ZINC000653285564 411704453 /nfs/dbraw/zinc/70/44/53/411704453.db2.gz RWBSXYROWZGUOI-JTQLQIEISA-N -1 0 316.321 -0.374 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)CC1(n2cnnn2)CCOCC1 ZINC000659128480 411710950 /nfs/dbraw/zinc/71/09/50/411710950.db2.gz YRRNGUGHGCREFJ-UHFFFAOYSA-N -1 0 311.342 -0.108 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)C2(n3cnnn3)CCCCC2)n1 ZINC000650291240 411658251 /nfs/dbraw/zinc/65/82/51/411658251.db2.gz LXXMQIBTHAAAHE-UHFFFAOYSA-N -1 0 320.313 -0.353 20 0 DBADRM Cn1nncc1S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000650415069 411663818 /nfs/dbraw/zinc/66/38/18/411663818.db2.gz PNXZIVINFLAZAW-UHFFFAOYSA-N -1 0 302.234 -0.547 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000650416580 411663827 /nfs/dbraw/zinc/66/38/27/411663827.db2.gz PMDNYYYQYIWJBP-BREBYQMCSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000650417154 411663847 /nfs/dbraw/zinc/66/38/47/411663847.db2.gz RQIZFIJSFLSKSO-XROYCOCOSA-N -1 0 315.351 -0.272 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000663099677 411669471 /nfs/dbraw/zinc/66/94/71/411669471.db2.gz DGCPTMJUZQAOTK-ZDUSSCGKSA-N -1 0 310.310 -0.915 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCO[C@@H](CF)C1)C1CCC1 ZINC000663639973 411682151 /nfs/dbraw/zinc/68/21/51/411682151.db2.gz ZQBIVBWFMKASSQ-WDEREUQCSA-N -1 0 316.329 -0.200 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CC[C@](F)(CO)C1)C1CCC1 ZINC000663635661 411683160 /nfs/dbraw/zinc/68/31/60/411683160.db2.gz NEPVGGCJXCMUHV-QMTHXVAHSA-N -1 0 316.329 -0.464 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1 ZINC000650700341 411683958 /nfs/dbraw/zinc/68/39/58/411683958.db2.gz DJTVYDCOCQOHJS-AOOOYVTPSA-N -1 0 312.347 -0.144 20 0 DBADRM CO[C@@H]1COC[C@H]1n1cc(CNc2ccnc(C(=O)[O-])c2)nn1 ZINC000650771176 411688080 /nfs/dbraw/zinc/68/80/80/411688080.db2.gz OXSLATJHOJCGCN-CHWSQXEVSA-N -1 0 319.321 -0.008 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C(=O)NC ZINC000659060868 411688879 /nfs/dbraw/zinc/68/88/79/411688879.db2.gz NHWZWWGCWHEJLS-ZETCQYMHSA-N -1 0 308.294 -0.641 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCC1=O ZINC000659067325 411689466 /nfs/dbraw/zinc/68/94/66/411689466.db2.gz JOUHSTDZILNPRO-UHFFFAOYSA-N -1 0 320.305 -0.591 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(OC2COC2)cc1)C(=O)[O-] ZINC000659062589 411689545 /nfs/dbraw/zinc/68/95/45/411689545.db2.gz JVVHRPOVLIDAFP-MRVPVSSYSA-N -1 0 308.290 -0.008 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@H]2CCCN2C(=O)C2CC2)[n-]n1 ZINC000650819176 411690143 /nfs/dbraw/zinc/69/01/43/411690143.db2.gz KHTOZPQXRCKKTE-NSHDSACASA-N -1 0 317.349 -0.402 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@H]2CCc3cnn(C)c3C2)[n-]n1 ZINC000650818506 411690747 /nfs/dbraw/zinc/69/07/47/411690747.db2.gz NLALRVCGFFCLQH-SECBINFHSA-N -1 0 314.349 -0.265 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)CO[C@@H](C)c2nccn2C)[n-]n1 ZINC000650818772 411691045 /nfs/dbraw/zinc/69/10/45/411691045.db2.gz XNSXQKVNQTZKQF-VIFPVBQESA-N -1 0 318.337 -0.292 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)CN2CCCCCCC2=O)[n-]n1 ZINC000650816325 411691257 /nfs/dbraw/zinc/69/12/57/411691257.db2.gz RUKHZIVXTVQXQI-UHFFFAOYSA-N -1 0 319.365 -0.011 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000653318750 411737866 /nfs/dbraw/zinc/73/78/66/411737866.db2.gz XRMALRRNRMPXFU-GMSGAONNSA-N -1 0 313.335 -0.193 20 0 DBADRM Cn1cnn(CC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)c1=O ZINC000653323354 411752085 /nfs/dbraw/zinc/75/20/85/411752085.db2.gz RFJJPNUWVOYQRQ-OAHLLOKOSA-N -1 0 318.333 -0.260 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CCCCC1 ZINC000652057647 411753442 /nfs/dbraw/zinc/75/34/42/411753442.db2.gz NUNKGJSNWCHFJV-VIFPVBQESA-N -1 0 304.368 -0.028 20 0 DBADRM C[C@]1(NC(=O)[C@H]2CCS(=O)(=O)N2)CCCC[C@@H]1C(=O)[O-] ZINC000652067488 411753580 /nfs/dbraw/zinc/75/35/80/411753580.db2.gz ZWRHMGNBMNZSIA-LNLATYFQSA-N -1 0 304.368 -0.172 20 0 DBADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652055064 411753772 /nfs/dbraw/zinc/75/37/72/411753772.db2.gz TZUCGSQCLONCPN-VXGBXAGGSA-N -1 0 324.358 -0.284 20 0 DBADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652056629 411754025 /nfs/dbraw/zinc/75/40/25/411754025.db2.gz CEDWFOMNQZRFIH-NWDGAFQWSA-N -1 0 324.358 -0.111 20 0 DBADRM O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000652066332 411754270 /nfs/dbraw/zinc/75/42/70/411754270.db2.gz HCMRFHJHMNICBS-NXEZZACHSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])c1cccc(CCNC(=O)[C@H]2CCS(=O)(=O)N2)c1 ZINC000652065655 411754315 /nfs/dbraw/zinc/75/43/15/411754315.db2.gz GXHUTZYNIYSXLU-LLVKDONJSA-N -1 0 312.347 -0.265 20 0 DBADRM COCC[C@@H](NC(=O)C1(n2cnnn2)CCCCC1)C(=O)[O-] ZINC000652068711 411754376 /nfs/dbraw/zinc/75/43/76/411754376.db2.gz LYEKKUZLFUVQBM-SNVBAGLBSA-N -1 0 311.342 -0.062 20 0 DBADRM COC1(C[C@@H](NC(=O)C2(n3cnnn3)CC2)C(=O)[O-])CCC1 ZINC000659163621 411755558 /nfs/dbraw/zinc/75/55/58/411755558.db2.gz IWDJIGKGXNPLQN-SECBINFHSA-N -1 0 309.326 -0.309 20 0 DBADRM COC1(C[C@H](NC(=O)C2(n3cnnn3)CC2)C(=O)[O-])CCC1 ZINC000659163626 411755957 /nfs/dbraw/zinc/75/59/57/411755957.db2.gz IWDJIGKGXNPLQN-VIFPVBQESA-N -1 0 309.326 -0.309 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N(CC(=O)[O-])CC2CC2)co1 ZINC000653324012 411756000 /nfs/dbraw/zinc/75/60/00/411756000.db2.gz DOWLQEOTEJRXOS-UHFFFAOYSA-N -1 0 302.308 -0.136 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652123291 411759387 /nfs/dbraw/zinc/75/93/87/411759387.db2.gz HWUADTAVJJLMJM-VHSXEESVSA-N -1 0 304.368 -0.553 20 0 DBADRM COCCN(CC(F)F)C(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651557178 411759823 /nfs/dbraw/zinc/75/98/23/411759823.db2.gz SVVPOTZJHLJCTL-UHFFFAOYSA-N -1 0 319.312 -0.041 20 0 DBADRM CN(C)c1cc(F)cc(NC(=O)C(=O)NCc2nnn[n-]2)c1 ZINC000651578890 411761533 /nfs/dbraw/zinc/76/15/33/411761533.db2.gz HGSZJNWSLLQKEF-UHFFFAOYSA-N -1 0 307.289 -0.340 20 0 DBADRM COCCN1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)CC1 ZINC000651601237 411762838 /nfs/dbraw/zinc/76/28/38/411762838.db2.gz YLEMQKIZOPXZNF-UHFFFAOYSA-N -1 0 324.385 -0.990 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CC(=O)N(CC3CC3)C2)[n-]1 ZINC000651761179 411773133 /nfs/dbraw/zinc/77/31/33/411773133.db2.gz HVKKPZOUBRGXBC-UHFFFAOYSA-N -1 0 320.353 -0.742 20 0 DBADRM CCNC(=O)[C@@H](NC(=O)C(=O)N=c1ncn(C(C)C)[n-]1)C(C)C ZINC000651823109 411777798 /nfs/dbraw/zinc/77/77/98/411777798.db2.gz WVFVCURXEOTRSS-JTQLQIEISA-N -1 0 324.385 -0.504 20 0 DBADRM C[C@@H]1CN(c2ncnc(-n3cccn3)c2N)C[C@H](C(=O)[O-])O1 ZINC000652536927 411805384 /nfs/dbraw/zinc/80/53/84/411805384.db2.gz RRJANDNGYIHQAO-RKDXNWHRSA-N -1 0 304.310 -0.077 20 0 DBADRM C[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)C[C@H](C(=O)[O-])O1 ZINC000652536971 411805663 /nfs/dbraw/zinc/80/56/63/411805663.db2.gz UGSXZVRTIXLYOC-RNFRBKRXSA-N -1 0 323.309 -0.949 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cn(C)nn2)C1 ZINC000652656102 411810565 /nfs/dbraw/zinc/81/05/65/411810565.db2.gz UTRPJMIQHYLICV-DTWKUNHWSA-N -1 0 309.326 -1.000 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000653335904 411812625 /nfs/dbraw/zinc/81/26/25/411812625.db2.gz ZGZLAFDTUWDAOU-RKDXNWHRSA-N -1 0 316.310 -0.190 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CCCS1(=O)=O ZINC000655545296 411817858 /nfs/dbraw/zinc/81/78/58/411817858.db2.gz BMQPDADLOJAGSX-SKDRFNHKSA-N -1 0 305.352 -0.344 20 0 DBADRM COc1cccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])c1F ZINC000653491902 411865945 /nfs/dbraw/zinc/86/59/45/411865945.db2.gz NTNAYFMITKYTAE-NSHDSACASA-N -1 0 307.299 -0.052 20 0 DBADRM C[C@](CCF)(NC(=O)Cn1nc2ccccn2c1=O)C(=O)[O-] ZINC000659211386 411821251 /nfs/dbraw/zinc/82/12/51/411821251.db2.gz CQJJUXRZKRJAPT-CYBMUJFWSA-N -1 0 310.285 -0.185 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)CS1(=O)=O ZINC000659414272 411823875 /nfs/dbraw/zinc/82/38/75/411823875.db2.gz VRKCBXQECKYCRC-BBBLOLIVSA-N -1 0 320.367 -0.553 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)CS1(=O)=O ZINC000659414273 411823924 /nfs/dbraw/zinc/82/39/24/411823924.db2.gz VRKCBXQECKYCRC-KXUCPTDWSA-N -1 0 320.367 -0.553 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)N2)c(F)c1 ZINC000659223793 411825330 /nfs/dbraw/zinc/82/53/30/411825330.db2.gz UIUSARWEUDPCEF-JTQLQIEISA-N -1 0 316.310 -0.168 20 0 DBADRM CC(C)[C@@H](CNC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-] ZINC000655569319 411834559 /nfs/dbraw/zinc/83/45/59/411834559.db2.gz AFANKSXXDJEABK-SECBINFHSA-N -1 0 311.342 -0.547 20 0 DBADRM CC(C)[C@H](CNC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)[O-] ZINC000655560485 411834859 /nfs/dbraw/zinc/83/48/59/411834859.db2.gz WGEMQPHOSABXKF-JTQLQIEISA-N -1 0 310.354 -0.146 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655582387 411836323 /nfs/dbraw/zinc/83/63/23/411836323.db2.gz XGFFKJDAAKJCNW-XHNCKOQMSA-N -1 0 306.384 -0.213 20 0 DBADRM C[C@H](NC(=O)c1cn(CC(N)=O)nn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580663 411836352 /nfs/dbraw/zinc/83/63/52/411836352.db2.gz QUCSDENFEDUFEA-XHNCKOQMSA-N -1 0 323.353 -0.371 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)CN1CCCNC1=O ZINC000655598578 411836801 /nfs/dbraw/zinc/83/68/01/411836801.db2.gz FSLRQMHSNQZAJW-NSHDSACASA-N -1 0 306.322 -0.391 20 0 DBADRM O=C(NCC[C@]1(O)CCOC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000652809254 411841279 /nfs/dbraw/zinc/84/12/79/411841279.db2.gz AGLRKZXPIVMSRH-AWEZNQCLSA-N -1 0 320.305 -0.293 20 0 DBADRM CN=c1[n-]nc(CC(=O)N2CCN(Cc3nc[nH]n3)CC2)s1 ZINC000652900387 411855247 /nfs/dbraw/zinc/85/52/47/411855247.db2.gz KGWHILSMTAJNQY-UHFFFAOYSA-N -1 0 322.398 -0.993 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCO[C@H]1CC1(F)F)C(=O)[O-] ZINC000659662437 411858980 /nfs/dbraw/zinc/85/89/80/411858980.db2.gz SQPMMMGQGGHPTB-BDAKNGLRSA-N -1 0 322.308 0.000 20 0 DBADRM CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659668592 411860087 /nfs/dbraw/zinc/86/00/87/411860087.db2.gz ZNMQCYUGUTXDQA-WDEREUQCSA-N -1 0 312.366 -0.023 20 0 DBADRM CCOCCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659780367 411889187 /nfs/dbraw/zinc/88/91/87/411889187.db2.gz ZGMYWHDMUJTROQ-MISXGVKJSA-N -1 0 301.339 -0.012 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)CCN1S(C)(=O)=O ZINC000659198796 411896992 /nfs/dbraw/zinc/89/69/92/411896992.db2.gz NURXJSQOKYLCOC-UTLUCORTSA-N -1 0 320.367 -0.889 20 0 DBADRM COCc1nc(=NC(=O)Cn2nc3n(c2=O)CCCC3)s[n-]1 ZINC000649919630 411922893 /nfs/dbraw/zinc/92/28/93/411922893.db2.gz MRRXCSWQWLQLIY-UHFFFAOYSA-N -1 0 324.366 -0.560 20 0 DBADRM NS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ncc[nH]2)c1 ZINC000312507517 411925640 /nfs/dbraw/zinc/92/56/40/411925640.db2.gz GACKDRVCXWTPQH-UHFFFAOYSA-N -1 0 317.352 -0.174 20 0 DBADRM CCN(C)C(=O)CNC(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000387336139 411928404 /nfs/dbraw/zinc/92/84/04/411928404.db2.gz UMTCPLMHIRMMHO-CYBMUJFWSA-N -1 0 301.343 -0.403 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)CC1=O ZINC000402821067 411929311 /nfs/dbraw/zinc/92/93/11/411929311.db2.gz MJFIGGMNDQMXLM-BXKDBHETSA-N -1 0 324.337 -0.843 20 0 DBADRM CC(C)(C)n1nnc(CNC(=O)N[C@@]2(C(=O)[O-])CCOC2)n1 ZINC000653532066 411877789 /nfs/dbraw/zinc/87/77/89/411877789.db2.gz FWKAJILVKABKDS-LBPRGKRZSA-N -1 0 312.330 -0.529 20 0 DBADRM CNS(=O)(=O)c1ccc(NC(=O)NC[C@H](C)C(=O)[O-])nc1 ZINC000653543213 411878247 /nfs/dbraw/zinc/87/82/47/411878247.db2.gz HAQWRYVLDKKRQJ-ZETCQYMHSA-N -1 0 316.339 -0.168 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N(CCOC)CC(=O)[O-] ZINC000653536990 411878488 /nfs/dbraw/zinc/87/84/88/411878488.db2.gz CFGNHIBHWKEEPG-UHFFFAOYSA-N -1 0 310.372 -0.735 20 0 DBADRM CNC(=O)c1cccc(OCC(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000653558215 411880513 /nfs/dbraw/zinc/88/05/13/411880513.db2.gz RWBFHKMCMGLQSR-GFCCVEGCSA-N -1 0 322.317 -0.263 20 0 DBADRM CCS(=O)(=O)N(C)CCCNc1ncncc1C(=O)[O-] ZINC000584782830 411883558 /nfs/dbraw/zinc/88/35/58/411883558.db2.gz DRKBWEZUBNJSNX-UHFFFAOYSA-N -1 0 302.356 0.258 20 0 DBADRM Cc1nn(CC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c(=O)n1C ZINC000655058599 411965637 /nfs/dbraw/zinc/96/56/37/411965637.db2.gz RNXFFBHFTHGMCQ-SECBINFHSA-N -1 0 321.341 -0.880 20 0 DBADRM NS(=O)(=O)CCOCCNC(=O)c1c([O-])cc(F)cc1F ZINC000655083483 411968329 /nfs/dbraw/zinc/96/83/29/411968329.db2.gz FRQNDUKTKSBNEJ-UHFFFAOYSA-N -1 0 324.305 -0.295 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2[O-])C1 ZINC000656951082 412019464 /nfs/dbraw/zinc/01/94/64/412019464.db2.gz QNIMVNCHPRIYSJ-SECBINFHSA-N -1 0 320.392 -0.166 20 0 DBADRM C[C@H](CNC(=O)NCCCN1CCCS1(=O)=O)C(=O)[O-] ZINC000655865000 411974902 /nfs/dbraw/zinc/97/49/02/411974902.db2.gz CGOYIUIHXBGEHG-SECBINFHSA-N -1 0 307.372 -0.568 20 0 DBADRM C[C@@H](CNC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)C(=O)[O-] ZINC000655870350 411975090 /nfs/dbraw/zinc/97/50/90/411975090.db2.gz XGCUFOCZQLMMRE-UWVGGRQHSA-N -1 0 323.353 -0.065 20 0 DBADRM O=C(CO)N1CCN(S(=O)(=O)c2ccccc2[O-])CC1 ZINC000656951081 412019486 /nfs/dbraw/zinc/01/94/86/412019486.db2.gz QMAJTWPYFUKZBC-UHFFFAOYSA-N -1 0 300.336 -0.783 20 0 DBADRM C[C@H](CNC(=O)NCCS(=O)(=O)NC(C)(C)C)C(=O)[O-] ZINC000655864459 411975173 /nfs/dbraw/zinc/97/51/73/411975173.db2.gz ZSJQGJKZVZTOCW-MRVPVSSYSA-N -1 0 309.388 -0.276 20 0 DBADRM C[C@@H](CNC(=O)NCc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000655864410 411975337 /nfs/dbraw/zinc/97/53/37/411975337.db2.gz YNTINXSUVPVTJS-QMMMGPOBSA-N -1 0 315.351 -0.146 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655863786 411975379 /nfs/dbraw/zinc/97/53/79/411975379.db2.gz PQBNEEDIECGAQW-SECBINFHSA-N -1 0 309.388 -0.322 20 0 DBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655876027 411975656 /nfs/dbraw/zinc/97/56/56/411975656.db2.gz IRZOFSLANGVFMM-OUAUKWLOSA-N -1 0 304.343 -0.173 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000655886668 411975762 /nfs/dbraw/zinc/97/57/62/411975762.db2.gz DMMKVTXZEIRNMC-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@@H](CNC(=O)N(C)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000655882814 411975878 /nfs/dbraw/zinc/97/58/78/411975878.db2.gz OYWYHFDFQJCRIM-VIFPVBQESA-N -1 0 307.372 -0.616 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CCO1 ZINC000655895460 411975913 /nfs/dbraw/zinc/97/59/13/411975913.db2.gz SZQADUHUPMMWDF-UWVGGRQHSA-N -1 0 301.343 -0.500 20 0 DBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)NC[C@H](C)C(=O)[O-] ZINC000655876024 411976173 /nfs/dbraw/zinc/97/61/73/411976173.db2.gz IRZOFSLANGVFMM-HBNTYKKESA-N -1 0 304.343 -0.173 20 0 DBADRM C[C@H](CNC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000655875043 411976388 /nfs/dbraw/zinc/97/63/88/411976388.db2.gz UNPDJCQEDVVUCI-KXUCPTDWSA-N -1 0 301.343 -0.358 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000655895002 411976471 /nfs/dbraw/zinc/97/64/71/411976471.db2.gz PBWZWRRXFZOTCB-NXEZZACHSA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CCC[C@@H]1CS(N)(=O)=O)C(=O)[O-] ZINC000655898374 411977510 /nfs/dbraw/zinc/97/75/10/411977510.db2.gz VGQGFTGDDGGBPS-NXEZZACHSA-N -1 0 321.399 -0.194 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1cnc(N(C)C)nc1)C(=O)[O-] ZINC000655945141 411980424 /nfs/dbraw/zinc/98/04/24/411980424.db2.gz JTCDAAZNLQCNJJ-JTQLQIEISA-N -1 0 323.353 -0.046 20 0 DBADRM Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C2 ZINC000655977900 411981303 /nfs/dbraw/zinc/98/13/03/411981303.db2.gz LKSRFJSTVWQQMI-KWQFWETISA-N -1 0 320.349 -0.405 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1cn2ccccc2n1)C(=O)[O-] ZINC000655977192 411981411 /nfs/dbraw/zinc/98/14/11/411981411.db2.gz FFIGZPQOICCMTA-SECBINFHSA-N -1 0 304.306 -0.213 20 0 DBADRM CCN(CC)C(=O)CCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655979953 411981722 /nfs/dbraw/zinc/98/17/22/411981722.db2.gz ANXZYYHGIDANLL-SNVBAGLBSA-N -1 0 315.370 -0.412 20 0 DBADRM CC(C)C(=O)NCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655977359 411981858 /nfs/dbraw/zinc/98/18/58/411981858.db2.gz GTDTYBPVIXRDNC-SNVBAGLBSA-N -1 0 315.370 -0.652 20 0 DBADRM COc1cc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])ccc1O ZINC000655977945 411982291 /nfs/dbraw/zinc/98/22/91/411982291.db2.gz MQRLRKZQNKCFSS-QMMMGPOBSA-N -1 0 310.306 -0.146 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)Cn1cccn1)C(=O)[O-] ZINC000655979642 411982476 /nfs/dbraw/zinc/98/24/76/411982476.db2.gz JSOYTKLKWLBRPV-GHMZBOCLSA-N -1 0 310.354 -0.139 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000655981267 411982492 /nfs/dbraw/zinc/98/24/92/411982492.db2.gz YHCKDYIQXZLXHK-SECBINFHSA-N -1 0 321.333 -0.501 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O)C(=O)[O-] ZINC000655996905 411982817 /nfs/dbraw/zinc/98/28/17/411982817.db2.gz HJUWWHWIGOBVCN-KXUCPTDWSA-N -1 0 311.338 -0.907 20 0 DBADRM CCn1ncnc1CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655990571 411982951 /nfs/dbraw/zinc/98/29/51/411982951.db2.gz FQRREWLZKLLEHG-SECBINFHSA-N -1 0 311.342 -0.613 20 0 DBADRM CC(C)Cn1ccnc1CNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655988856 411983143 /nfs/dbraw/zinc/98/31/43/411983143.db2.gz WBCYNGSIOFPCDV-JTQLQIEISA-N -1 0 310.354 -0.008 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCCn1ccnn1)C(=O)[O-] ZINC000655986790 411983208 /nfs/dbraw/zinc/98/32/08/411983208.db2.gz HIAGZGWGWUUEDN-JTQLQIEISA-N -1 0 311.342 -0.743 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1)C(=O)[O-] ZINC000655988676 411983236 /nfs/dbraw/zinc/98/32/36/411983236.db2.gz SSLKENOMXPMJIC-UWVGGRQHSA-N -1 0 313.354 -0.804 20 0 DBADRM C[C@@H](NC(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655988290 411983544 /nfs/dbraw/zinc/98/35/44/411983544.db2.gz SFFPJFIAYSWOJO-IXJGYNTHSA-N -1 0 324.377 -0.001 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)[O-] ZINC000655995118 411983579 /nfs/dbraw/zinc/98/35/79/411983579.db2.gz XLNPAOQKYPZZFT-YTWAJWBKSA-N -1 0 310.350 -0.103 20 0 DBADRM CO[C@@H](CCNC(=O)C(=O)NC[C@H](C)C(=O)[O-])C(F)(F)F ZINC000655992759 411983869 /nfs/dbraw/zinc/98/38/69/411983869.db2.gz GKFRQMKKYRBXIM-BQBZGAKWSA-N -1 0 314.260 -0.093 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCCC(=O)N1)C(=O)[O-] ZINC000655989092 411983900 /nfs/dbraw/zinc/98/39/00/411983900.db2.gz WFLNKOKTJFJERP-ZJUUUORDSA-N -1 0 313.354 -0.756 20 0 DBADRM CO[C@@H]1[C@H](C)[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C1(C)C ZINC000655994623 411983955 /nfs/dbraw/zinc/98/39/55/411983955.db2.gz UDYHBSTYKICDFL-SGIHWFKDSA-N -1 0 300.355 -0.001 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O)C(=O)[O-] ZINC000655996907 411983984 /nfs/dbraw/zinc/98/39/84/411983984.db2.gz HJUWWHWIGOBVCN-UTLUCORTSA-N -1 0 311.338 -0.907 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1)C(=O)[O-] ZINC000656001041 411984641 /nfs/dbraw/zinc/98/46/41/411984641.db2.gz YTAQSDGRMXXYDS-ZJUUUORDSA-N -1 0 309.326 -0.722 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N(C)C1CCC(CO)CC1)C(=O)[O-] ZINC000656004106 411984788 /nfs/dbraw/zinc/98/47/88/411984788.db2.gz DKYUHNIIFQSQGH-WHXUTIOJSA-N -1 0 300.355 -0.167 20 0 DBADRM CCC(=O)N[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000656004457 411984793 /nfs/dbraw/zinc/98/47/93/411984793.db2.gz PFCHMEBQQXXBSP-ZJUUUORDSA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC([C@@H](C)CO)CC1)C(=O)[O-] ZINC000655999445 411985102 /nfs/dbraw/zinc/98/51/02/411985102.db2.gz KVMJJUVETLHKDZ-ZJUUUORDSA-N -1 0 300.355 -0.310 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC(Cn2ccnn2)CC1)C(=O)[O-] ZINC000656005262 411985488 /nfs/dbraw/zinc/98/54/88/411985488.db2.gz XBIKNRLCCYMCPL-SNVBAGLBSA-N -1 0 323.353 -0.646 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)C(=O)[O-] ZINC000656003786 411985681 /nfs/dbraw/zinc/98/56/81/411985681.db2.gz XKNZDCKZIKULJU-OUAUKWLOSA-N -1 0 314.338 -0.770 20 0 DBADRM COCCCOC1CN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000656001348 411985797 /nfs/dbraw/zinc/98/57/97/411985797.db2.gz FPSLLBBQYGGLEN-VIFPVBQESA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1)C(=O)[O-] ZINC000656001039 411985898 /nfs/dbraw/zinc/98/58/98/411985898.db2.gz YTAQSDGRMXXYDS-UWVGGRQHSA-N -1 0 309.326 -0.722 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)n1 ZINC000656008513 411986615 /nfs/dbraw/zinc/98/66/15/411986615.db2.gz VXRIITMLICGFRC-VIFPVBQESA-N -1 0 312.326 -0.191 20 0 DBADRM CCN1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1=O ZINC000656010774 411986647 /nfs/dbraw/zinc/98/66/47/411986647.db2.gz QSWGWAPEXYNNMK-SNVBAGLBSA-N -1 0 313.354 -0.850 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@](C)(O)C1)C(=O)[O-] ZINC000656010865 411986703 /nfs/dbraw/zinc/98/67/03/411986703.db2.gz GSBDHUGTLZESDT-HZMBPMFUSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000656013850 411986853 /nfs/dbraw/zinc/98/68/53/411986853.db2.gz QIOMLYGVPXDIAZ-JTQLQIEISA-N -1 0 301.343 -0.898 20 0 DBADRM CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])[C@H](C)CS(C)(=O)=O ZINC000656007977 411986878 /nfs/dbraw/zinc/98/68/78/411986878.db2.gz PESKGBPUQPLODG-DTWKUNHWSA-N -1 0 322.383 -0.895 20 0 DBADRM COCCN(Cc1cccnc1)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656007909 411987101 /nfs/dbraw/zinc/98/71/01/411987101.db2.gz OJEIBHXTAABRDL-NSHDSACASA-N -1 0 323.349 -0.107 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@]1(C)CO)C(=O)[O-] ZINC000656011951 411987130 /nfs/dbraw/zinc/98/71/30/411987130.db2.gz VSGNDIJOKHDOAL-IINYFYTJSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCCNC1=O)C(=O)[O-] ZINC000656007428 411987185 /nfs/dbraw/zinc/98/71/85/411987185.db2.gz FSNQZQYLIVLGDI-UWVGGRQHSA-N -1 0 313.354 -0.898 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000656007686 411987190 /nfs/dbraw/zinc/98/71/90/411987190.db2.gz LBTJJMQXXSEOJW-VGMNWLOBSA-N -1 0 322.383 -0.897 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@](F)(CO)C1)C(=O)[O-] ZINC000656008459 411987303 /nfs/dbraw/zinc/98/73/03/411987303.db2.gz JGRIQVOASMZMQP-RNCFNFMXSA-N -1 0 304.318 -0.608 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC(CO)CC1)C(=O)[O-] ZINC000656014873 411988969 /nfs/dbraw/zinc/98/89/69/411988969.db2.gz XAQDLVPDMSVPDI-NSHDSACASA-N -1 0 300.355 -0.310 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000660465282 411993400 /nfs/dbraw/zinc/99/34/00/411993400.db2.gz XEIKVCPXSBNJHV-KXUCPTDWSA-N -1 0 317.367 -0.233 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC000656102710 411996141 /nfs/dbraw/zinc/99/61/41/411996141.db2.gz NSAKGARPMSZTMK-WPRPVWTQSA-N -1 0 324.337 -0.094 20 0 DBADRM O=C([O-])c1conc1CNS(=O)(=O)c1cnc2n1CCC2 ZINC000656165035 411996904 /nfs/dbraw/zinc/99/69/04/411996904.db2.gz RACQJKZFSGHTHO-UHFFFAOYSA-N -1 0 312.307 -0.006 20 0 DBADRM CO[C@@H](C[C@@H](NS(=O)(=O)c1cn(C)cn1)C(=O)[O-])C1CC1 ZINC000656169746 411998858 /nfs/dbraw/zinc/99/88/58/411998858.db2.gz QNJCDBLEVSCYCJ-ZJUUUORDSA-N -1 0 317.367 -0.033 20 0 DBADRM CO[C@H](C[C@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-])C1CC1 ZINC000656170598 411999201 /nfs/dbraw/zinc/99/92/01/411999201.db2.gz ZAPXRMXZWIRSAV-WDEREUQCSA-N -1 0 322.383 -0.579 20 0 DBADRM COCC1(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000656180449 411999605 /nfs/dbraw/zinc/99/96/05/411999605.db2.gz KPIGRFMIOWYHOC-UHFFFAOYSA-N -1 0 303.340 -0.327 20 0 DBADRM CC(C)(C)n1nnc(CNC(=O)C2(C(=O)[O-])CCOCC2)n1 ZINC000656246829 412000072 /nfs/dbraw/zinc/00/00/72/412000072.db2.gz ZBXPSQWOTCGCNC-UHFFFAOYSA-N -1 0 311.342 -0.074 20 0 DBADRM CCC1CCN(S(=O)(=O)NCCc2nc(=O)o[n-]2)CC1 ZINC000656976737 412020735 /nfs/dbraw/zinc/02/07/35/412020735.db2.gz VCWPUSJMRWZGOA-UHFFFAOYSA-N -1 0 304.372 -0.138 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000656526156 412006909 /nfs/dbraw/zinc/00/69/09/412006909.db2.gz DVBUTHUWDPYYJQ-ZCFIWIBFSA-N -1 0 314.241 -0.176 20 0 DBADRM C[C@@H](CC(F)(F)F)CS(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000656509715 412007152 /nfs/dbraw/zinc/00/71/52/412007152.db2.gz XLRSEEFYNWVMSR-WDSKDSINSA-N -1 0 320.289 -0.177 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC(OC)CC1 ZINC000656515266 412007173 /nfs/dbraw/zinc/00/71/73/412007173.db2.gz MRDRYRZMCFOFPV-SNVBAGLBSA-N -1 0 310.372 -0.627 20 0 DBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1CCC(OC)CC1 ZINC000656513932 412007204 /nfs/dbraw/zinc/00/72/04/412007204.db2.gz GEVROLWKFCCNGX-SNVBAGLBSA-N -1 0 324.399 -0.237 20 0 DBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000656515811 412007244 /nfs/dbraw/zinc/00/72/44/412007244.db2.gz WHHJDZGBEJKNLG-UHFFFAOYSA-N -1 0 316.335 -0.838 20 0 DBADRM COC1CCN(S(=O)(=O)N(CCO)CCC(=O)[O-])CC1 ZINC000656512815 412007271 /nfs/dbraw/zinc/00/72/71/412007271.db2.gz RNZWWMGJHHMEKH-UHFFFAOYSA-N -1 0 310.372 -0.889 20 0 DBADRM COC1CCN(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000656517559 412007590 /nfs/dbraw/zinc/00/75/90/412007590.db2.gz ORUTWWHSHACWNL-SNVBAGLBSA-N -1 0 308.356 -0.873 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000656562435 412008508 /nfs/dbraw/zinc/00/85/08/412008508.db2.gz QAYYZLVTBHMTEU-HOSYDEDBSA-N -1 0 304.368 -0.394 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656562103 412008781 /nfs/dbraw/zinc/00/87/81/412008781.db2.gz MSEXEADPOLSVOV-DGCLKSJQSA-N -1 0 318.395 -0.004 20 0 DBADRM CCn1cnc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000656561189 412009070 /nfs/dbraw/zinc/00/90/70/412009070.db2.gz DFNVOYUEPCYLHK-BXKDBHETSA-N -1 0 315.351 -0.375 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)C[C@H]1CCOC1)C2 ZINC000656562390 412009781 /nfs/dbraw/zinc/00/97/81/412009781.db2.gz OXCPWXMRYSCAGA-HOSYDEDBSA-N -1 0 305.352 -0.614 20 0 DBADRM C[C@H]1OCC[C@@H]1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656562796 412009820 /nfs/dbraw/zinc/00/98/20/412009820.db2.gz UMCVFHSAOQBBAF-MWGHHZFTSA-N -1 0 305.352 -0.473 20 0 DBADRM Nc1ccccc1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656562908 412009848 /nfs/dbraw/zinc/00/98/48/412009848.db2.gz WPVBKSWULNOYIV-NOZJJQNGSA-N -1 0 312.347 -0.010 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656562527 412009860 /nfs/dbraw/zinc/00/98/60/412009860.db2.gz RZYFNYLQTVCPSC-HOSYDEDBSA-N -1 0 307.368 -0.226 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000656580192 412010262 /nfs/dbraw/zinc/01/02/62/412010262.db2.gz ZAJNYNDASWTNAN-UHFFFAOYSA-N -1 0 305.356 -0.816 20 0 DBADRM CO[C@H](CNC(=O)N[C@@]1(C(=O)[O-])CCOC1)[C@H]1CCOC1 ZINC000656586318 412010310 /nfs/dbraw/zinc/01/03/10/412010310.db2.gz NHGOFMZOXUINQC-CWSCBRNRSA-N -1 0 302.327 -0.419 20 0 DBADRM COC[C@](C)(NC(=O)NCc1nc(C(N)=O)cs1)C(=O)[O-] ZINC000656597791 412011014 /nfs/dbraw/zinc/01/10/14/412011014.db2.gz OHFLJIKMNDJJMV-NSHDSACASA-N -1 0 316.339 -0.469 20 0 DBADRM NC(=O)c1csc(CNC(=O)N[C@H](CCF)C(=O)[O-])n1 ZINC000656597356 412011075 /nfs/dbraw/zinc/01/10/75/412011075.db2.gz JZCWNHUVJMEWRW-RXMQYKEDSA-N -1 0 304.303 -0.146 20 0 DBADRM COC[C@](C)(NC(=O)NC[C@H](OC)[C@@H]1CCOC1)C(=O)[O-] ZINC000656586328 412011092 /nfs/dbraw/zinc/01/10/92/412011092.db2.gz NLMWGIHKMKPXII-NRUUGDAUSA-N -1 0 304.343 -0.173 20 0 DBADRM COC1CCN(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])CC1 ZINC000656627295 412011146 /nfs/dbraw/zinc/01/11/46/412011146.db2.gz XOMJQGLQMRMSQC-UHFFFAOYSA-N -1 0 318.355 -0.114 20 0 DBADRM COC1CCN(S(=O)(=O)[N-]c2n[nH]c(C)c2C(N)=O)CC1 ZINC000656626366 412011167 /nfs/dbraw/zinc/01/11/67/412011167.db2.gz LHFMFVBWTDWLHW-UHFFFAOYSA-N -1 0 317.371 -0.415 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-]c1n[nH]cc1C(N)=O)[C@H]1CCOC1 ZINC000656629806 412011330 /nfs/dbraw/zinc/01/13/30/412011330.db2.gz YPEOHAKLPVNHPF-CBAPKCEASA-N -1 0 318.355 -0.698 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C1CC1 ZINC000656564434 412011406 /nfs/dbraw/zinc/01/14/06/412011406.db2.gz NBYBBSRZSMGTKX-NTZNESFSSA-N -1 0 319.379 -0.226 20 0 DBADRM C[C@](CCF)(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000656726113 412012059 /nfs/dbraw/zinc/01/20/59/412012059.db2.gz ZPNBQZZBBUGAJV-SECBINFHSA-N -1 0 319.376 -0.457 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@H]1CCOC1 ZINC000656716406 412012318 /nfs/dbraw/zinc/01/23/18/412012318.db2.gz FXIQVELBNDJHDA-IONNQARKSA-N -1 0 319.339 -0.562 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCO[C@@H]1CC1(F)F ZINC000656719296 412012328 /nfs/dbraw/zinc/01/23/28/412012328.db2.gz HRRGLDHADJYDBB-ZCFIWIBFSA-N -1 0 311.266 -0.190 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])c1 ZINC000656716747 412012366 /nfs/dbraw/zinc/01/23/66/412012366.db2.gz HXSBLLJLQTWSHK-APPZFPTMSA-N -1 0 301.324 -0.507 20 0 DBADRM CN(C[C@H]1COCCO1)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC000656720762 412012631 /nfs/dbraw/zinc/01/26/31/412012631.db2.gz BEENCCQRCNGLBC-VIFPVBQESA-N -1 0 316.335 -0.184 20 0 DBADRM COC[C@@H](CCNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])OC ZINC000656718956 412012674 /nfs/dbraw/zinc/01/26/74/412012674.db2.gz XNNYOMSBNBGLRQ-NXEZZACHSA-N -1 0 310.372 -0.579 20 0 DBADRM CN(C[C@@H]1COCCO1)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC000656722005 412012771 /nfs/dbraw/zinc/01/27/71/412012771.db2.gz ZXEAWVAHJWKCCT-SNVBAGLBSA-N -1 0 316.335 -0.184 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000656851242 412013453 /nfs/dbraw/zinc/01/34/53/412013453.db2.gz HAUPZPLBPBABEE-ZDUSSCGKSA-N -1 0 318.395 -0.019 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000656851241 412013558 /nfs/dbraw/zinc/01/35/58/412013558.db2.gz HAUPZPLBPBABEE-CYBMUJFWSA-N -1 0 318.395 -0.019 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000656851151 412013902 /nfs/dbraw/zinc/01/39/02/412013902.db2.gz DTOXZYXWTXVGBB-QPUJVOFHSA-N -1 0 304.368 -0.363 20 0 DBADRM O=S(=O)(CCNS(=O)(=O)c1ccccc1[O-])NC1CC1 ZINC000656872692 412015252 /nfs/dbraw/zinc/01/52/52/412015252.db2.gz WAZJXJIKSVDPTI-UHFFFAOYSA-N -1 0 320.392 -0.248 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ccccc2[O-])O1 ZINC000656934659 412017968 /nfs/dbraw/zinc/01/79/68/412017968.db2.gz KHYAVDSSNVDRBO-WCBMZHEXSA-N -1 0 300.336 -0.297 20 0 DBADRM C[C@@H]1COCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659058060 412076827 /nfs/dbraw/zinc/07/68/27/412076827.db2.gz ICGDXLXKAVIPQH-SECBINFHSA-N -1 0 324.337 -0.111 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)n1 ZINC000659055679 412077116 /nfs/dbraw/zinc/07/71/16/412077116.db2.gz HZZPROXINFFJQJ-SECBINFHSA-N -1 0 324.337 -0.064 20 0 DBADRM COCCOCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659052453 412077304 /nfs/dbraw/zinc/07/73/04/412077304.db2.gz XAQCTCJHCODTFT-UHFFFAOYSA-N -1 0 311.294 -0.503 20 0 DBADRM CNC(=O)[C@@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C(C)C ZINC000659056333 412077317 /nfs/dbraw/zinc/07/73/17/412077317.db2.gz YVCPZYZCDVFYCU-VIFPVBQESA-N -1 0 322.321 -0.395 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@@H]1O ZINC000659055966 412077430 /nfs/dbraw/zinc/07/74/30/412077430.db2.gz QTJKMASZRKYPJC-SCZZXKLOSA-N -1 0 307.306 -0.052 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CC[C@@](F)(CO)C1 ZINC000659059907 412077441 /nfs/dbraw/zinc/07/74/41/412077441.db2.gz VNPWDFTZVPQKJD-ZDUSSCGKSA-N -1 0 311.269 -0.349 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc3nccn3c2)CCO1 ZINC000659060870 412077480 /nfs/dbraw/zinc/07/74/80/412077480.db2.gz FBDNISMKVPMUTQ-SNVBAGLBSA-N -1 0 318.289 -0.415 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCC1(CO)CCC1 ZINC000659060311 412077527 /nfs/dbraw/zinc/07/75/27/412077527.db2.gz YRXOROKQTVAXRY-UHFFFAOYSA-N -1 0 307.306 -0.003 20 0 DBADRM CC1(C)CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@H]1O ZINC000659057264 412076248 /nfs/dbraw/zinc/07/62/48/412076248.db2.gz AXLFLKDEAXFZOC-SECBINFHSA-N -1 0 307.306 -0.052 20 0 DBADRM CC1(C)[C@H](O)C[C@@H]1NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659059094 412076264 /nfs/dbraw/zinc/07/62/64/412076264.db2.gz PVSXQGMGHOCOGF-DTWKUNHWSA-N -1 0 307.306 -0.006 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659058052 412076288 /nfs/dbraw/zinc/07/62/88/412076288.db2.gz HXCAEHYAJYDVAE-CBAPKCEASA-N -1 0 320.305 -0.641 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])nn1 ZINC000659238192 412082789 /nfs/dbraw/zinc/08/27/89/412082789.db2.gz UCOAUAUFWFTWDC-QMTHXVAHSA-N -1 0 323.353 -0.261 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000659248463 412082844 /nfs/dbraw/zinc/08/28/44/412082844.db2.gz KEKMXRUSZAZZJX-WDEREUQCSA-N -1 0 313.354 -0.612 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H]2CCNC2=O)ccc1C(=O)[O-] ZINC000659064540 412078075 /nfs/dbraw/zinc/07/80/75/412078075.db2.gz MVOXIVVLMMOOHL-JTQLQIEISA-N -1 0 305.290 -0.364 20 0 DBADRM Cc1cnn(C)c1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659066683 412078328 /nfs/dbraw/zinc/07/83/28/412078328.db2.gz JUXCPXJPYQHWQQ-YMTOWFKASA-N -1 0 322.321 -0.773 20 0 DBADRM Cc1cncc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000659066286 412078657 /nfs/dbraw/zinc/07/86/57/412078657.db2.gz PPFIUMHQYYZCKR-MEBBXXQBSA-N -1 0 319.317 -0.112 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC000659069564 412078677 /nfs/dbraw/zinc/07/86/77/412078677.db2.gz UNRSOFKBFODXMP-UHFFFAOYSA-N -1 0 324.337 -0.161 20 0 DBADRM C[C@@H]1CN(C(=O)CCN2CCCS2(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000659224427 412081038 /nfs/dbraw/zinc/08/10/38/412081038.db2.gz JZXNKAYMJXARKV-MNOVXSKESA-N -1 0 318.395 -0.019 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CC1(n2cnnn2)CCOCC1)C1CC1 ZINC000659126700 412081185 /nfs/dbraw/zinc/08/11/85/412081185.db2.gz BXWUFXHUOMOGNX-NSHDSACASA-N -1 0 309.326 -0.452 20 0 DBADRM CN1CC[C@@H](C(=O)NC[C@H](CC(=O)[O-])C2CC2)S1(=O)=O ZINC000659206380 412081310 /nfs/dbraw/zinc/08/13/10/412081310.db2.gz DTPAUPYJGGCMNT-UWVGGRQHSA-N -1 0 304.368 -0.363 20 0 DBADRM CN1CC[C@@H](C(=O)NCc2ccoc2C(=O)[O-])S1(=O)=O ZINC000659201892 412081367 /nfs/dbraw/zinc/08/13/67/412081367.db2.gz VOCVJYAEJQREOO-QMMMGPOBSA-N -1 0 302.308 -0.372 20 0 DBADRM COC[C@H](OC)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000659162587 412081633 /nfs/dbraw/zinc/08/16/33/412081633.db2.gz AOYMVPNUCIGKEU-KOLCDFICSA-N -1 0 312.326 -0.199 20 0 DBADRM O=C([O-])CC1(NC(=O)CC2(n3cnnn3)CCOCC2)CC1 ZINC000659162997 412081695 /nfs/dbraw/zinc/08/16/95/412081695.db2.gz MUBDKDNUPJWTRI-UHFFFAOYSA-N -1 0 309.326 -0.308 20 0 DBADRM CN1C(=O)c2ccc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)[O-])cc2C1=O ZINC000659170163 412081925 /nfs/dbraw/zinc/08/19/25/412081925.db2.gz QKYHUOJUUKHCGE-MNOVXSKESA-N -1 0 318.285 -0.116 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000659225243 412081938 /nfs/dbraw/zinc/08/19/38/412081938.db2.gz HSVNTGWUUMJNJY-UTLUCORTSA-N -1 0 304.368 -0.411 20 0 DBADRM COc1cccc(C(=O)NCC(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])c1 ZINC000659174996 412082089 /nfs/dbraw/zinc/08/20/89/412082089.db2.gz SFIBDNYYPQPRMJ-YPMHNXCESA-N -1 0 322.317 -0.217 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000659146881 412082095 /nfs/dbraw/zinc/08/20/95/412082095.db2.gz VBZQCSALQOXOPQ-MNOVXSKESA-N -1 0 323.353 -0.062 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCCN2C(=O)CNC2=O)CCC1 ZINC000659397303 412086844 /nfs/dbraw/zinc/08/68/44/412086844.db2.gz YOYRAYJVASFLPN-UHFFFAOYSA-N -1 0 312.326 -0.518 20 0 DBADRM COC[C@@](C)(O)CCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659404890 412086901 /nfs/dbraw/zinc/08/69/01/412086901.db2.gz QYSUUWVQELFENT-DDTOSNHZSA-N -1 0 316.354 -0.484 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659420958 412087068 /nfs/dbraw/zinc/08/70/68/412087068.db2.gz ATTIZIYCKNNMIQ-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCNC(=O)c2ccn[nH]2)CCC1 ZINC000659404640 412087074 /nfs/dbraw/zinc/08/70/74/412087074.db2.gz SUBSNYPAERIRDX-UHFFFAOYSA-N -1 0 309.326 -0.306 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659397517 412087165 /nfs/dbraw/zinc/08/71/65/412087165.db2.gz JZNLWEDBXPZUIG-KBVBSXBZSA-N -1 0 320.367 -0.838 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000659413863 412087558 /nfs/dbraw/zinc/08/75/58/412087558.db2.gz BALPHAKUHSDVHP-VIFPVBQESA-N -1 0 320.367 -0.551 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659397033 412087639 /nfs/dbraw/zinc/08/76/39/412087639.db2.gz GOZZADREMPYIEL-BXKDBHETSA-N -1 0 320.367 -0.836 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NC(C1CC1)C1CC1)C2 ZINC000659643690 412096111 /nfs/dbraw/zinc/09/61/11/412096111.db2.gz FUQPJHNNEVTRRN-BDJLRTHQSA-N -1 0 322.361 -0.149 20 0 DBADRM CC(C)C(=O)NCCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659644301 412097316 /nfs/dbraw/zinc/09/73/16/412097316.db2.gz NSBFYFZWDHKLQB-UHFFFAOYSA-N -1 0 313.354 -0.754 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000659655110 412098585 /nfs/dbraw/zinc/09/85/85/412098585.db2.gz HOAMBKQQVCBQGW-JTQLQIEISA-N -1 0 309.326 -0.892 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC=CCC1)C2 ZINC000659652268 412098697 /nfs/dbraw/zinc/09/86/97/412098697.db2.gz IVQYJEAILXWQMG-UEKVPHQBSA-N -1 0 308.334 -0.229 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659651154 412098875 /nfs/dbraw/zinc/09/88/75/412098875.db2.gz RTAQSIPBJOAASJ-SECBINFHSA-N -1 0 309.326 -0.846 20 0 DBADRM CN1CCC[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1=O ZINC000659651933 412098902 /nfs/dbraw/zinc/09/89/02/412098902.db2.gz FRJPPHQRAACFOS-VIFPVBQESA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@H]1CCC[C@@H]3C[C@@H]31)C2 ZINC000659655807 412098937 /nfs/dbraw/zinc/09/89/37/412098937.db2.gz NDWGBGQBWCXGDM-JRDJEQCOSA-N -1 0 322.361 -0.149 20 0 DBADRM COCCCCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659646852 412099388 /nfs/dbraw/zinc/09/93/88/412099388.db2.gz NHFGHRODHCPRNX-QMTHXVAHSA-N -1 0 314.338 -0.911 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCCO[C@H]2CC2(F)F)C1 ZINC000659661159 412099829 /nfs/dbraw/zinc/09/98/29/412099829.db2.gz PNDKZGCOPZTJEL-VGMNWLOBSA-N -1 0 320.292 -0.104 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000659660308 412100225 /nfs/dbraw/zinc/10/02/25/412100225.db2.gz JURZGYNITLESTQ-GBNBPPIOSA-N -1 0 322.361 -0.149 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2CCn3ccnc3C2)CCC1 ZINC000659656750 412100263 /nfs/dbraw/zinc/10/02/63/412100263.db2.gz MGSCAEHHMJYSMD-SNVBAGLBSA-N -1 0 320.349 -0.315 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2COC[C@@]2(C)C1)C(=O)[O-] ZINC000659660493 412100379 /nfs/dbraw/zinc/10/03/79/412100379.db2.gz BNQQPYWYDJLPKM-JRPNMDOOSA-N -1 0 312.366 -0.046 20 0 DBADRM C[C@@H]1CCC[C@H](CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)O1 ZINC000659663635 412100402 /nfs/dbraw/zinc/10/04/02/412100402.db2.gz HYWGKPGYCWETJX-GMTAPVOTSA-N -1 0 314.338 -0.628 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1COc2cc(F)ccc2C1 ZINC000659658100 412100589 /nfs/dbraw/zinc/10/05/89/412100589.db2.gz FWWGQNQXSMCHDP-JTQLQIEISA-N -1 0 310.281 -0.164 20 0 DBADRM COC[C@@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1CCOCC1 ZINC000659662246 412100690 /nfs/dbraw/zinc/10/06/90/412100690.db2.gz QYEVWOXUVVOBSZ-MWLCHTKSSA-N -1 0 316.354 -0.619 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2COC[C@@H]2C1)C(=O)[O-] ZINC000659661101 412100757 /nfs/dbraw/zinc/10/07/57/412100757.db2.gz GWCACELIUQCYIY-SRVKXCTJSA-N -1 0 312.366 -0.046 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)CCC1 ZINC000659672059 412101663 /nfs/dbraw/zinc/10/16/63/412101663.db2.gz PAXILZAFLBUSCE-GHMZBOCLSA-N -1 0 310.350 -0.148 20 0 DBADRM CN(CCn1cccn1)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659667999 412101702 /nfs/dbraw/zinc/10/17/02/412101702.db2.gz QVCHXNVSNYPEMY-UHFFFAOYSA-N -1 0 308.338 -0.287 20 0 DBADRM C[C@H]1c2nncn2CCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659667633 412101724 /nfs/dbraw/zinc/10/17/24/412101724.db2.gz CHABQIVWWWLKRR-VIFPVBQESA-N -1 0 321.337 -0.448 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCC[C@@H]3COC[C@@H]32)CCC1 ZINC000659669635 412101935 /nfs/dbraw/zinc/10/19/35/412101935.db2.gz BAIIVNKAOBLNIA-MNOVXSKESA-N -1 0 310.350 -0.005 20 0 DBADRM C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659670724 412102102 /nfs/dbraw/zinc/10/21/02/412102102.db2.gz OGSKUDPFQOIDKA-MNOVXSKESA-N -1 0 312.366 -0.023 20 0 DBADRM CCN(CCOCCO)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659671152 412102420 /nfs/dbraw/zinc/10/24/20/412102420.db2.gz TZRNUIDDQWHSER-UHFFFAOYSA-N -1 0 316.354 -0.785 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)N[C@@H]3CCCC[C@H]32)CCO1 ZINC000659762356 412122481 /nfs/dbraw/zinc/12/24/81/412122481.db2.gz FTSPDHJDYRGYFH-YFKTTZPYSA-N -1 0 310.350 -0.007 20 0 DBADRM CC(C)[C@@H](CNC(=O)C1(n2cnnn2)CCOCC1)C(=O)[O-] ZINC000659767452 412122656 /nfs/dbraw/zinc/12/26/56/412122656.db2.gz PNXMOTVGQAIXIA-SNVBAGLBSA-N -1 0 311.342 -0.348 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CN1CSCC1=O)C2 ZINC000659777889 412123232 /nfs/dbraw/zinc/12/32/32/412123232.db2.gz MLDDSUMJQGYVNH-PRHODGIISA-N -1 0 300.336 -0.921 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1nccn3ccnc13)C2 ZINC000659779970 412124038 /nfs/dbraw/zinc/12/40/38/412124038.db2.gz OQGLZNAXZBZRAN-YMTOWFKASA-N -1 0 302.290 -0.098 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1cn3cccnc3n1)C2 ZINC000659779758 412125094 /nfs/dbraw/zinc/12/50/94/412125094.db2.gz RAGCFXJMRSFQBZ-YMTOWFKASA-N -1 0 302.290 -0.098 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)[C@@H](Nc2ccnc(N3CCOCC3)n2)C1 ZINC000662897059 412209207 /nfs/dbraw/zinc/20/92/07/412209207.db2.gz MVAHRBYEMKTWRR-GARJFASQSA-N -1 0 308.338 -0.051 20 0 DBADRM Nc1c(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)ncnc1-n1cccn1 ZINC000662898474 412209370 /nfs/dbraw/zinc/20/93/70/412209370.db2.gz UUFSIVJLZFBURU-IWSPIJDZSA-N -1 0 304.310 -0.120 20 0 DBADRM NC(=O)c1cn([C@H]2CCN(c3ccnc(C(=O)[O-])c3)C2)nn1 ZINC000662900377 412209436 /nfs/dbraw/zinc/20/94/36/412209436.db2.gz LIFKXLBLSHBHHS-VIFPVBQESA-N -1 0 302.294 -0.078 20 0 DBADRM CN(C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C1CCCC1 ZINC000662902574 412209453 /nfs/dbraw/zinc/20/94/53/412209453.db2.gz MLWBBJMYCCFKLZ-MEBBXXQBSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@H]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662905729 412210124 /nfs/dbraw/zinc/21/01/24/412210124.db2.gz GHLXXDBGIIWLLR-KIGUWFBYSA-N -1 0 310.350 -0.197 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@](O)(C2CC2)C1)C(=O)[O-] ZINC000662913483 412210519 /nfs/dbraw/zinc/21/05/19/412210519.db2.gz LKEQBBVVZXAMKE-ZUZCIYMTSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2cn(C)nn2)C1 ZINC000662910513 412210918 /nfs/dbraw/zinc/21/09/18/412210918.db2.gz ORMJGAFVSZQCSV-UWVGGRQHSA-N -1 0 323.353 -0.657 20 0 DBADRM C[C@@H]1CC[C@H](C)N1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662912776 412211049 /nfs/dbraw/zinc/21/10/49/412211049.db2.gz VYUSGEZWLLUUEW-JNIYBQFBSA-N -1 0 310.350 -0.055 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)C1 ZINC000662913936 412211283 /nfs/dbraw/zinc/21/12/83/412211283.db2.gz NWIYMKAEDSFMFR-IJLUTSLNSA-N -1 0 310.350 -0.196 20 0 DBADRM CC1=CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662907498 412211569 /nfs/dbraw/zinc/21/15/69/412211569.db2.gz QTAHGRIXDSGBHE-IAQYHMDHSA-N -1 0 308.334 -0.275 20 0 DBADRM C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000662914045 412211612 /nfs/dbraw/zinc/21/16/12/412211612.db2.gz WKEGVIQHBQJHMC-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000662915239 412212014 /nfs/dbraw/zinc/21/20/14/412212014.db2.gz XGZBIOPKPICFOB-RYUDHWBXSA-N -1 0 310.350 -0.196 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000662915540 412212752 /nfs/dbraw/zinc/21/27/52/412212752.db2.gz ZBUMVERFPKZKBX-LBPRGKRZSA-N -1 0 308.281 -0.198 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCc2nccnc2C1)C(=O)[O-] ZINC000662914954 412212874 /nfs/dbraw/zinc/21/28/74/412212874.db2.gz VCDJFSZGULKQLT-SECBINFHSA-N -1 0 306.322 -0.460 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000662915236 412212929 /nfs/dbraw/zinc/21/29/29/412212929.db2.gz XGZBIOPKPICFOB-NEPJUHHUSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)Cc1n[n-]c(=O)o1 ZINC000660849765 412147693 /nfs/dbraw/zinc/14/76/93/412147693.db2.gz FGYUXXKTDCMZSP-DTWKUNHWSA-N -1 0 311.342 -0.681 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)N1CCOCC1 ZINC000660859496 412148935 /nfs/dbraw/zinc/14/89/35/412148935.db2.gz LJOVNTIHANINLA-UHFFFAOYSA-N -1 0 310.358 -0.484 20 0 DBADRM CCN(CC(=O)N1CCN(c2cnccn2)CC1)[C@H](C)C(=O)[O-] ZINC000662215844 412170700 /nfs/dbraw/zinc/17/07/00/412170700.db2.gz MAJIHHBFZWRJSM-GFCCVEGCSA-N -1 0 321.381 -0.080 20 0 DBADRM CCN(CC(=O)NCCCN(C)S(C)(=O)=O)[C@H](C)C(=O)[O-] ZINC000662218213 412171152 /nfs/dbraw/zinc/17/11/52/412171152.db2.gz WPCJJPBCKLOIKD-SNVBAGLBSA-N -1 0 323.415 -0.821 20 0 DBADRM NC(=O)c1ccc(NC(=O)CCN2CCOC[C@H]2C(=O)[O-])cc1 ZINC000662205572 412172419 /nfs/dbraw/zinc/17/24/19/412172419.db2.gz QJSFLZCIESSOPZ-LBPRGKRZSA-N -1 0 321.333 -0.101 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCCC(=O)N1CCOCC1)C(=O)[O-] ZINC000317076887 412261562 /nfs/dbraw/zinc/26/15/62/412261562.db2.gz UUSDCQWIMLXJDD-LLVKDONJSA-N -1 0 315.370 -0.109 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)NCCCCCC(=O)[O-])C1 ZINC000663021417 412223181 /nfs/dbraw/zinc/22/31/81/412223181.db2.gz NIOJBPFIQKPEOZ-JTQLQIEISA-N -1 0 321.399 -0.337 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)NCCCCCC(=O)[O-])C1 ZINC000663021418 412223456 /nfs/dbraw/zinc/22/34/56/412223456.db2.gz NIOJBPFIQKPEOZ-SNVBAGLBSA-N -1 0 321.399 -0.337 20 0 DBADRM COCCn1nc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)ccc1=O ZINC000315822070 412223863 /nfs/dbraw/zinc/22/38/63/412223863.db2.gz CDQCEBDIJSESMX-SNVBAGLBSA-N -1 0 311.338 -0.024 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000663030143 412223941 /nfs/dbraw/zinc/22/39/41/412223941.db2.gz GUBPHHPNATWPOM-LBPRGKRZSA-N -1 0 304.368 -0.409 20 0 DBADRM CCc1c(C(=O)N2CCOC[C@H]2C(=O)[O-])[nH]c(C)c1C(N)=O ZINC000663028525 412223996 /nfs/dbraw/zinc/22/39/96/412223996.db2.gz WOCGMOHBRLVHQB-VIFPVBQESA-N -1 0 309.322 -0.090 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000663025386 412224024 /nfs/dbraw/zinc/22/40/24/412224024.db2.gz HGBIOBZWDMSCKL-ZJUUUORDSA-N -1 0 319.383 -0.775 20 0 DBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CCC2)C1 ZINC000663040115 412224053 /nfs/dbraw/zinc/22/40/53/412224053.db2.gz NZPSGEXXIZRUPD-VIFPVBQESA-N -1 0 319.383 -0.727 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000663043916 412224229 /nfs/dbraw/zinc/22/42/29/412224229.db2.gz JVQZGPZVAQGHLK-YMTOWFKASA-N -1 0 324.337 -0.479 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])co1 ZINC000663026369 412224327 /nfs/dbraw/zinc/22/43/27/412224327.db2.gz FNYINDKMCAQAEK-MRVPVSSYSA-N -1 0 318.307 -0.887 20 0 DBADRM C[C@](O)(CNC(=O)[C@]1(c2ccccc2)CNC(=O)C1)C(=O)[O-] ZINC000663028273 412224421 /nfs/dbraw/zinc/22/44/21/412224421.db2.gz YTOZJTSIFTYUQS-GJZGRUSLSA-N -1 0 306.318 -0.604 20 0 DBADRM CCc1c(C(=O)N2CCOC[C@@H]2C(=O)[O-])[nH]c(C)c1C(N)=O ZINC000663028524 412224515 /nfs/dbraw/zinc/22/45/15/412224515.db2.gz WOCGMOHBRLVHQB-SECBINFHSA-N -1 0 309.322 -0.090 20 0 DBADRM Cc1csc(=O)n1CCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000663028394 412224547 /nfs/dbraw/zinc/22/45/47/412224547.db2.gz SQJVLDOCDXSVBN-VIFPVBQESA-N -1 0 300.336 -0.080 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C1CC1 ZINC000663053659 412225065 /nfs/dbraw/zinc/22/50/65/412225065.db2.gz DRHYYERTGUSXGU-DTWKUNHWSA-N -1 0 319.383 -0.634 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000663063987 412225076 /nfs/dbraw/zinc/22/50/76/412225076.db2.gz JEHBSOAEJXACGF-LDYMZIIASA-N -1 0 308.356 -0.984 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1 ZINC000663068116 412225146 /nfs/dbraw/zinc/22/51/46/412225146.db2.gz YRJBSEVKPFTMDB-OAHLLOKOSA-N -1 0 311.382 -0.105 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC000663063186 412225474 /nfs/dbraw/zinc/22/54/74/412225474.db2.gz JSJVBNYAMQIMMH-ZJUUUORDSA-N -1 0 304.368 -0.363 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000663061375 412225651 /nfs/dbraw/zinc/22/56/51/412225651.db2.gz SNUFRVVLXCLKFW-IVZWLZJFSA-N -1 0 319.383 -0.729 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2nc(C)ns2)CC1 ZINC000663064064 412225672 /nfs/dbraw/zinc/22/56/72/412225672.db2.gz VJDIPKNSPBCGIV-LBPRGKRZSA-N -1 0 314.367 -0.015 20 0 DBADRM CO[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])C1CCC1 ZINC000663053835 412225707 /nfs/dbraw/zinc/22/57/07/412225707.db2.gz FUCBJTQVABGUGB-UWVGGRQHSA-N -1 0 305.352 -0.488 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CN1CCN(C2CC2)C1=O)C(=O)[O-] ZINC000663060897 412225711 /nfs/dbraw/zinc/22/57/11/412225711.db2.gz QASSEMNYOGAUPI-GFCCVEGCSA-N -1 0 321.337 -0.438 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@@H](C(=O)[O-])C3CC3)CC2=O)cn1 ZINC000663099614 412226304 /nfs/dbraw/zinc/22/63/04/412226304.db2.gz CCNHYERTYSHLAP-LBPRGKRZSA-N -1 0 306.322 -0.294 20 0 DBADRM CCn1nc2c(cc1=O)CN(C(=O)[C@@](C)(OC)C(=O)[O-])CC2 ZINC000663088566 412226390 /nfs/dbraw/zinc/22/63/90/412226390.db2.gz IWDFRCJBOHZZPU-CQSZACIVSA-N -1 0 309.322 -0.362 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)[C@]3(C(=O)[O-])CC3(C)C)CCN2C1=O ZINC000663088607 412226478 /nfs/dbraw/zinc/22/64/78/412226478.db2.gz JMKJGDICZXUSFK-PSLIRLAXSA-N -1 0 323.349 -0.018 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@@]3(C(=O)[O-])CC3(C)C)CCN2C1=O ZINC000663088606 412226611 /nfs/dbraw/zinc/22/66/11/412226611.db2.gz JMKJGDICZXUSFK-BJOHPYRUSA-N -1 0 323.349 -0.018 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1 ZINC000663119084 412226619 /nfs/dbraw/zinc/22/66/19/412226619.db2.gz JHECSKFPURVWIP-AWEZNQCLSA-N -1 0 307.354 -0.035 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC000663126571 412226675 /nfs/dbraw/zinc/22/66/75/412226675.db2.gz ACERIESADVLITH-NXEZZACHSA-N -1 0 314.319 -0.678 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC000663079284 412226802 /nfs/dbraw/zinc/22/68/02/412226802.db2.gz NEYITLHFZSHUSL-JTQLQIEISA-N -1 0 304.368 -0.409 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@@H](C(=O)[O-])C3CC3)CCN2C1=O ZINC000663090129 412226906 /nfs/dbraw/zinc/22/69/06/412226906.db2.gz RABCFIOZSGNMRQ-UWVGGRQHSA-N -1 0 309.322 -0.408 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)[C@H](C(=O)[O-])C2CC2)cn1 ZINC000663115269 412226946 /nfs/dbraw/zinc/22/69/46/412226946.db2.gz AYEVYVAXIPSCLQ-GFCCVEGCSA-N -1 0 324.337 -0.305 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@](C)(OC)C(=O)[O-] ZINC000663098260 412227001 /nfs/dbraw/zinc/22/70/01/412227001.db2.gz INSKLJDWSLNJFH-GZMMTYOYSA-N -1 0 308.356 -0.984 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000663127859 412227232 /nfs/dbraw/zinc/22/72/32/412227232.db2.gz UKYBXHLLMXVSSA-CWSCBRNRSA-N -1 0 317.363 -0.274 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000663127560 412227326 /nfs/dbraw/zinc/22/73/26/412227326.db2.gz NZBQXVIGTAXVHM-NXEZZACHSA-N -1 0 314.319 -0.678 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000663143715 412227392 /nfs/dbraw/zinc/22/73/92/412227392.db2.gz BDUMGWWEMFLEDI-GFCCVEGCSA-N -1 0 312.347 -0.254 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)NC1(C(=O)[O-])CCOCC1 ZINC000663142076 412227503 /nfs/dbraw/zinc/22/75/03/412227503.db2.gz ACEJJHBTRVGZIA-SECBINFHSA-N -1 0 301.343 -0.037 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000663127860 412227527 /nfs/dbraw/zinc/22/75/27/412227527.db2.gz UKYBXHLLMXVSSA-GIPNMCIBSA-N -1 0 317.363 -0.274 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000663130145 412227624 /nfs/dbraw/zinc/22/76/24/412227624.db2.gz AZYUTGAXYXHTJJ-GPCCPHFNSA-N -1 0 313.354 -0.227 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000663130375 412227725 /nfs/dbraw/zinc/22/77/25/412227725.db2.gz GXQQLGWNPYIMLY-BXKDBHETSA-N -1 0 305.352 -0.629 20 0 DBADRM Cc1ccc2ncc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)c(=O)n2c1 ZINC000663132830 412227815 /nfs/dbraw/zinc/22/78/15/412227815.db2.gz ZDXDSAZOPDPYPY-HNNXBMFYSA-N -1 0 317.301 -0.024 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)NC1(C(=O)[O-])CCOCC1 ZINC000663142961 412228059 /nfs/dbraw/zinc/22/80/59/412228059.db2.gz ZSHPEENPXDQMBB-UHFFFAOYSA-N -1 0 322.383 -0.546 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000663132153 412228113 /nfs/dbraw/zinc/22/81/13/412228113.db2.gz VTRCDOZXWFYCBF-CQSZACIVSA-N -1 0 308.290 -0.476 20 0 DBADRM CC[C@@]1(C2CC2)NC(=O)N([C@@H]2CCN(CC(=O)[O-])C2=O)C1=O ZINC000663218889 412228550 /nfs/dbraw/zinc/22/85/50/412228550.db2.gz DNEZCIPOGNBUSS-OTYXRUKQSA-N -1 0 309.322 -0.218 20 0 DBADRM Cn1cnn(CC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c1=O ZINC000663147154 412229023 /nfs/dbraw/zinc/22/90/23/412229023.db2.gz JZVWAWGQHJIBCR-CYBMUJFWSA-N -1 0 316.317 -0.208 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663152019 412229292 /nfs/dbraw/zinc/22/92/92/412229292.db2.gz SKRIZBIVPQJKGP-SECBINFHSA-N -1 0 311.338 -0.066 20 0 DBADRM O=C([O-])CN1CC[C@@H](n2nnc3cc(F)ccc3c2=O)C1=O ZINC000663219012 412229336 /nfs/dbraw/zinc/22/93/36/412229336.db2.gz GJLVMDQVQAFRND-SNVBAGLBSA-N -1 0 306.253 -0.211 20 0 DBADRM O=C([O-])CN1CC[C@H](N2C(=O)C(=O)N(C3CCCC3)C2=O)C1=O ZINC000663219483 412229360 /nfs/dbraw/zinc/22/93/60/412229360.db2.gz OIVUSHQEHBFJFC-VIFPVBQESA-N -1 0 323.305 -0.595 20 0 DBADRM O=C([O-])CN1CC[C@@H](n2nnn(-c3ccccc3)c2=O)C1=O ZINC000663220327 412229556 /nfs/dbraw/zinc/22/95/56/412229556.db2.gz PSQPUJQORSWAKE-SNVBAGLBSA-N -1 0 303.278 -0.713 20 0 DBADRM CN1CC[C@H](C(=O)NC[C@@H](C(=O)[O-])C2CCC2)S1(=O)=O ZINC000663153465 412229580 /nfs/dbraw/zinc/22/95/80/412229580.db2.gz LKARIDCFBASAOZ-NXEZZACHSA-N -1 0 304.368 -0.363 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC000663286226 412231038 /nfs/dbraw/zinc/23/10/38/412231038.db2.gz PTFMCJUKMCPWIL-MRVPVSSYSA-N -1 0 307.299 -0.052 20 0 DBADRM CCOCCS(=O)(=O)N1Cc2nnc(C)n2C[C@@H]1C(=O)[O-] ZINC000663252327 412231089 /nfs/dbraw/zinc/23/10/89/412231089.db2.gz HFWBFHIHHAMVNF-SECBINFHSA-N -1 0 318.355 -0.778 20 0 DBADRM C=CCC[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000316256082 412235348 /nfs/dbraw/zinc/23/53/48/412235348.db2.gz DJXDFVXXNCBUIL-UWVGGRQHSA-N -1 0 304.368 -0.054 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)nn1C ZINC000663601700 412235932 /nfs/dbraw/zinc/23/59/32/412235932.db2.gz FJUICIJZCVSYCK-VIFPVBQESA-N -1 0 324.337 -0.016 20 0 DBADRM C[C@@]1(O)CCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663633374 412236424 /nfs/dbraw/zinc/23/64/24/412236424.db2.gz PJTRUDJNEVVCGV-IAQYHMDHSA-N -1 0 312.366 -0.023 20 0 DBADRM CCn1nccc1CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000663629445 412236497 /nfs/dbraw/zinc/23/64/97/412236497.db2.gz LGWOUMXZNDAXDS-NSHDSACASA-N -1 0 310.354 -0.008 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663622089 412236556 /nfs/dbraw/zinc/23/65/56/412236556.db2.gz HEIOUBHTXLQFBD-LBPRGKRZSA-N -1 0 322.365 -0.075 20 0 DBADRM CCn1cc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)nn1 ZINC000663629473 412236674 /nfs/dbraw/zinc/23/66/74/412236674.db2.gz MCNADVWBGFZEGO-NSHDSACASA-N -1 0 323.353 -0.469 20 0 DBADRM CN(CCn1cccn1)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663632271 412236746 /nfs/dbraw/zinc/23/67/46/412236746.db2.gz GGZVCZFJNPKNOD-LBPRGKRZSA-N -1 0 322.365 -0.041 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCC(CO)CC1)C1CCC1 ZINC000663634542 412236768 /nfs/dbraw/zinc/23/67/68/412236768.db2.gz FEXUCPAMGGVURB-GFCCVEGCSA-N -1 0 312.366 -0.166 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCOCCF)C1 ZINC000663628404 412236876 /nfs/dbraw/zinc/23/68/76/412236876.db2.gz BTAQOJPYDNEHBT-ZJUUUORDSA-N -1 0 304.318 -0.342 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663632889 412236920 /nfs/dbraw/zinc/23/69/20/412236920.db2.gz CXPYXAFYOCDNPD-SNVBAGLBSA-N -1 0 313.354 -0.802 20 0 DBADRM Cc1c(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)cnn1C ZINC000663622077 412236951 /nfs/dbraw/zinc/23/69/51/412236951.db2.gz HDYPOTPPFQMUCO-LBPRGKRZSA-N -1 0 322.365 -0.038 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCn2cnnc2C1)C1CCC1 ZINC000663637032 412237815 /nfs/dbraw/zinc/23/78/15/412237815.db2.gz DXCOFEQSQSOGSK-SNVBAGLBSA-N -1 0 321.337 -0.763 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663637245 412237860 /nfs/dbraw/zinc/23/78/60/412237860.db2.gz YCCJLAYSAOCJCJ-NHYWBVRUSA-N -1 0 312.366 -0.023 20 0 DBADRM Cn1c(=O)cc(N2CCC(c3n[nH]c(=O)[n-]3)CC2)n(C)c1=O ZINC000663861960 412242716 /nfs/dbraw/zinc/24/27/16/412242716.db2.gz QFWFSCDYAVIWMP-UHFFFAOYSA-N -1 0 306.326 -0.708 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665312105 412307416 /nfs/dbraw/zinc/30/74/16/412307416.db2.gz CSCBDLTTYMYVGS-SNVBAGLBSA-N -1 0 321.399 -0.322 20 0 DBADRM O=C([O-])[C@H](CNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)C1CCC1 ZINC000665321160 412308027 /nfs/dbraw/zinc/30/80/27/412308027.db2.gz AGBBSHNOPCKPPG-ZJUUUORDSA-N -1 0 324.337 -0.567 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)C1CCC1 ZINC000665318015 412308245 /nfs/dbraw/zinc/30/82/45/412308245.db2.gz MPPYYBVOKMGBJL-LPEHRKFASA-N -1 0 309.322 -0.599 20 0 DBADRM O=C([O-])[C@H](CNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)C1CCC1 ZINC000665321157 412308694 /nfs/dbraw/zinc/30/86/94/412308694.db2.gz AGBBSHNOPCKPPG-NXEZZACHSA-N -1 0 324.337 -0.567 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000362608178 412311170 /nfs/dbraw/zinc/31/11/70/412311170.db2.gz HXMXNKUHGQTARR-SNVBAGLBSA-N -1 0 308.338 0.553 20 0 DBADRM NC(=O)COc1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC000362597348 412326791 /nfs/dbraw/zinc/32/67/91/412326791.db2.gz WNJQZYIEXLPWFV-UHFFFAOYSA-N -1 0 318.289 0.084 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2ccc(C(N)=O)nn2)C1=O ZINC000416448647 412350372 /nfs/dbraw/zinc/35/03/72/412350372.db2.gz UNXNWQKMGIZFSJ-GXSJLCMTSA-N -1 0 321.337 -0.303 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)Nc2cccnn2)C1=O ZINC000417771574 412350574 /nfs/dbraw/zinc/35/05/74/412350574.db2.gz XFFJROCJFCJLAZ-MWLCHTKSSA-N -1 0 321.337 0.308 20 0 DBADRM CNc1nnc(CC(=O)NC2(c3nnn[n-]3)CCCC2)s1 ZINC000353490390 412354641 /nfs/dbraw/zinc/35/46/41/412354641.db2.gz KWLHVRSDOXJCNN-UHFFFAOYSA-N -1 0 308.371 0.221 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC000362594468 412371852 /nfs/dbraw/zinc/37/18/52/412371852.db2.gz TWAHZFLLZLTXSJ-JTQLQIEISA-N -1 0 308.338 0.555 20 0 DBADRM COC(=O)c1cnc([N-]S(=O)(=O)CCOCC2CC2)cn1 ZINC000424206211 412383631 /nfs/dbraw/zinc/38/36/31/412383631.db2.gz HBLMIYWUCAJQIL-UHFFFAOYSA-N -1 0 315.351 0.432 20 0 DBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2cncc(OC)c2)cn1 ZINC000337291744 412383681 /nfs/dbraw/zinc/38/36/81/412383681.db2.gz MTAGNHQMXOLHBM-UHFFFAOYSA-N -1 0 324.318 0.468 20 0 DBADRM O=C(Nc1ccn(CCN2CCOCC2)n1)c1ncccc1[O-] ZINC000548304049 412399697 /nfs/dbraw/zinc/39/96/97/412399697.db2.gz SNUXWJKFGJORCQ-UHFFFAOYSA-N -1 0 317.349 0.568 20 0 DBADRM CCN(CCCNc1ncc(C(=O)[O-])cn1)S(C)(=O)=O ZINC000573971741 412406292 /nfs/dbraw/zinc/40/62/92/412406292.db2.gz VMDQYGKYCVSKLE-UHFFFAOYSA-N -1 0 302.356 0.258 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)CNC(=O)c2cccc(F)c2)n1 ZINC000431653399 412417026 /nfs/dbraw/zinc/41/70/26/412417026.db2.gz ADPPYTJDUZSPLP-UHFFFAOYSA-N -1 0 320.280 0.475 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)c2cnc3sccn3c2=O)n1 ZINC000362599258 412417192 /nfs/dbraw/zinc/41/71/92/412417192.db2.gz ANCLFAWRDXAPAN-UHFFFAOYSA-N -1 0 319.302 0.289 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)CN2Cc3ccccc3C2=O)n1 ZINC000362609736 412417617 /nfs/dbraw/zinc/41/76/17/412417617.db2.gz VERRKTQBWDVAMJ-UHFFFAOYSA-N -1 0 314.301 0.562 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccn(CCCOC)n1)C(=O)[O-] ZINC000582420188 412444504 /nfs/dbraw/zinc/44/45/04/412444504.db2.gz FOCPOKQGEXPSNY-SECBINFHSA-N -1 0 312.326 -0.163 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)nn1C ZINC000577751460 412453428 /nfs/dbraw/zinc/45/34/28/412453428.db2.gz GKLPZKKRINOVGT-IONNQARKSA-N -1 0 309.326 -0.369 20 0 DBADRM Cc1nc(NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])nn1C ZINC000424441225 412454927 /nfs/dbraw/zinc/45/49/27/412454927.db2.gz YQAMNSUMCVYLSF-SECBINFHSA-N -1 0 311.342 -0.075 20 0 DBADRM COc1nc(C)ccc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000347955376 412455973 /nfs/dbraw/zinc/45/59/73/412455973.db2.gz ANDIRVUYKQEYEA-UHFFFAOYSA-N -1 0 311.323 0.173 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC000573123462 412460031 /nfs/dbraw/zinc/46/00/31/412460031.db2.gz HKWXAFDSIKCSBO-SCZZXKLOSA-N -1 0 314.367 0.305 20 0 DBADRM CSCCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595238488 412460483 /nfs/dbraw/zinc/46/04/83/412460483.db2.gz UFLAYNNIZPRFLV-UHFFFAOYSA-N -1 0 314.367 0.121 20 0 DBADRM CS(=O)(=O)c1nnc(NC(=O)c2noc3c2CCCC3)[n-]1 ZINC000338114876 412460701 /nfs/dbraw/zinc/46/07/01/412460701.db2.gz BGDWABXOIVCRNU-UHFFFAOYSA-N -1 0 311.323 0.327 20 0 DBADRM CCn1ccnc(N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1=O ZINC000416442676 412463855 /nfs/dbraw/zinc/46/38/55/412463855.db2.gz FYOZGZVYRQIUGY-GHMZBOCLSA-N -1 0 322.365 0.385 20 0 DBADRM C[C@@H](O)CNc1cc(NCCn2cc(C(=O)[O-])nn2)ncn1 ZINC000519767875 412469040 /nfs/dbraw/zinc/46/90/40/412469040.db2.gz GANDMUUYMOPLSL-MRVPVSSYSA-N -1 0 307.314 -0.329 20 0 DBADRM CC[C@@H]1C[C@H](C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])CCO1 ZINC000333579114 287293931 /nfs/dbraw/zinc/29/39/31/287293931.db2.gz NOXSHMHSFMXNDL-OPRDCNLKSA-N -1 0 324.337 -0.016 20 0 DBADRM CC(C)OCCS(=O)(=O)N1CCN([C@H](C)C(=O)[O-])CC1 ZINC000093297642 418942324 /nfs/dbraw/zinc/94/23/24/418942324.db2.gz GSNLLAOAIFXXAU-LLVKDONJSA-N -1 0 308.400 -0.168 20 0 DBADRM Cc1c(C(=O)N(C)C)occ1S(=O)(=O)N1CC(C(=O)[O-])C1 ZINC000650413766 418942408 /nfs/dbraw/zinc/94/24/08/418942408.db2.gz FHBQJASAKVRFFR-UHFFFAOYSA-N -1 0 316.335 -0.005 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@H](Cc1ccco1)C(=O)[O-] ZINC000650400794 418942632 /nfs/dbraw/zinc/94/26/32/418942632.db2.gz NYQPOZNFUCVERS-MRVPVSSYSA-N -1 0 300.296 -0.618 20 0 DBADRM COc1cncc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c1 ZINC000650445945 418947092 /nfs/dbraw/zinc/94/70/92/418947092.db2.gz BSYCJVKWHRPALZ-LDYMZIIASA-N -1 0 316.335 -0.047 20 0 DBADRM Cn1[n-]c(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1=O ZINC000666177023 418978692 /nfs/dbraw/zinc/97/86/92/418978692.db2.gz MNHCPKUHYATXCB-SECBINFHSA-N -1 0 316.383 -0.330 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@H]1OC ZINC000666542880 418983513 /nfs/dbraw/zinc/98/35/13/418983513.db2.gz CNQPHLCEYVOVHM-LNFKQOIKSA-N -1 0 302.327 -0.326 20 0 DBADRM CN(CC(=O)[O-])C(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC000676205452 544419385 /nfs/dbraw/zinc/41/93/85/544419385.db2.gz HGEQELWVCSQFAT-UHFFFAOYSA-N -1 0 314.363 -0.065 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@H](C(=O)[O-])C2CCOCC2)S1(=O)=O ZINC000668305633 544424544 /nfs/dbraw/zinc/42/45/44/544424544.db2.gz SBUKFLCNOSMZCR-UWVGGRQHSA-N -1 0 320.367 -0.984 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000668308706 544424580 /nfs/dbraw/zinc/42/45/80/544424580.db2.gz ISBQMIJYGVCRER-LLVKDONJSA-N -1 0 307.368 -0.194 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCCCS1(=O)=O)C1CCOCC1 ZINC000668306912 544425246 /nfs/dbraw/zinc/42/52/46/544425246.db2.gz VLRVJWCSLMDDTO-MNOVXSKESA-N -1 0 319.379 -0.050 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000668309276 544425797 /nfs/dbraw/zinc/42/57/97/544425797.db2.gz WTVVORNMHVZXGR-NSHDSACASA-N -1 0 307.368 -0.193 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)C1CCOCC1 ZINC000668311183 544426075 /nfs/dbraw/zinc/42/60/75/544426075.db2.gz PBQTYHGVLKRNHV-GXFFZTMASA-N -1 0 310.350 -0.007 20 0 DBADRM CN(C(=O)C1CC(C(=O)[O-])C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000668324067 544427702 /nfs/dbraw/zinc/42/77/02/544427702.db2.gz MOSSKXRGCYQGIX-UDNWOFFPSA-N -1 0 304.368 -0.411 20 0 DBADRM O=C(Nc1ccn(CCN2CCOCC2)n1)c1cc(=O)[nH][n-]1 ZINC000668493356 544452393 /nfs/dbraw/zinc/45/23/93/544452393.db2.gz NBLPZQVCCIJITF-UHFFFAOYSA-N -1 0 306.326 -0.104 20 0 DBADRM CCn1cc(S(=O)(=O)N(C)CCC(=O)NC)cc1C(=O)[O-] ZINC000230952332 544470998 /nfs/dbraw/zinc/47/09/98/544470998.db2.gz ZUBKXLQJXOPQDG-UHFFFAOYSA-N -1 0 317.367 -0.037 20 0 DBADRM CC1(CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])COC1 ZINC000668661650 544472678 /nfs/dbraw/zinc/47/26/78/544472678.db2.gz QFPJZTGVRSYPRS-UHFFFAOYSA-N -1 0 300.336 -0.194 20 0 DBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCc2nnn(C)n2)c1 ZINC000428514979 544475916 /nfs/dbraw/zinc/47/59/16/544475916.db2.gz XSVHETJDWOHYHX-UHFFFAOYSA-N -1 0 324.366 -0.180 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1(C(=O)[O-])CCC1 ZINC000126866511 544477370 /nfs/dbraw/zinc/47/73/70/544477370.db2.gz YITOOKNIKDQIGB-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC000668726031 544487016 /nfs/dbraw/zinc/48/70/16/544487016.db2.gz LDMXSKCOWHEGSJ-MRVPVSSYSA-N -1 0 302.356 -0.721 20 0 DBADRM CCN(C(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1)[C@@H]1CCS(=O)(=O)C1 ZINC000222469823 544491435 /nfs/dbraw/zinc/49/14/35/544491435.db2.gz NPRIFQXFKDKFLD-UTLUCORTSA-N -1 0 305.352 -0.346 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000668872561 544508089 /nfs/dbraw/zinc/50/80/89/544508089.db2.gz TTWMYBBLCDFSCC-QMMMGPOBSA-N -1 0 316.387 -0.587 20 0 DBADRM CC(C)OCCS(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000093665190 544513869 /nfs/dbraw/zinc/51/38/69/544513869.db2.gz MCCHTHOGAAPQOG-JTQLQIEISA-N -1 0 305.356 -0.250 20 0 DBADRM CN1CC[C@@H](NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1=O ZINC000669006940 544518903 /nfs/dbraw/zinc/51/89/03/544518903.db2.gz UHXGPLPERNURMU-SNVBAGLBSA-N -1 0 302.290 -0.010 20 0 DBADRM Cn1nccc1COCC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000670812103 544525932 /nfs/dbraw/zinc/52/59/32/544525932.db2.gz NFCADQCDPQUFIL-JTQLQIEISA-N -1 0 305.342 -0.144 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)CN1CCCS1(=O)=O)C1CC1 ZINC000659211280 544557095 /nfs/dbraw/zinc/55/70/95/544557095.db2.gz WSMYKIMKXAONAW-SNVBAGLBSA-N -1 0 304.368 -0.361 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N2CCOC[C@H]2C(=O)[O-])CC1 ZINC000679567891 544558987 /nfs/dbraw/zinc/55/89/87/544558987.db2.gz BEKPZROOQPIZPU-VIFPVBQESA-N -1 0 320.367 -0.694 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N2CCOC[C@@H]2C(=O)[O-])CC1 ZINC000679567885 544559512 /nfs/dbraw/zinc/55/95/12/544559512.db2.gz BEKPZROOQPIZPU-SECBINFHSA-N -1 0 320.367 -0.694 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)Cn1nc2ccccn2c1=O ZINC000673479851 544563779 /nfs/dbraw/zinc/56/37/79/544563779.db2.gz YJWIDCHJEAYLAM-UHFFFAOYSA-N -1 0 304.266 -0.757 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC[C@@H]2CCCC[C@H]2O)cn1 ZINC000085977254 544577351 /nfs/dbraw/zinc/57/73/51/544577351.db2.gz UEQVRASNYPYWOL-GXSJLCMTSA-N -1 0 317.367 -0.203 20 0 DBADRM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000085411900 544573712 /nfs/dbraw/zinc/57/37/12/544573712.db2.gz ZFSVHXCIXUQCPX-RKDXNWHRSA-N -1 0 304.368 -0.553 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000087508714 544581276 /nfs/dbraw/zinc/58/12/76/544581276.db2.gz AFUKZXXVMZXQAK-SECBINFHSA-N -1 0 323.415 -0.030 20 0 DBADRM CC[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000087485739 544581671 /nfs/dbraw/zinc/58/16/71/544581671.db2.gz URWKPBCDNOBOHR-SECBINFHSA-N -1 0 306.384 -0.115 20 0 DBADRM CC(=O)N1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000088771734 544584854 /nfs/dbraw/zinc/58/48/54/544584854.db2.gz FGLVRTRALMOLBC-UHFFFAOYSA-N -1 0 307.372 -0.808 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCOCC(=O)[O-] ZINC000093227479 544607124 /nfs/dbraw/zinc/60/71/24/544607124.db2.gz CVBCMNFCSRWKFA-VIFPVBQESA-N -1 0 308.356 -0.982 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)NC1(CC(=O)[O-])CCC1 ZINC000094290819 544610875 /nfs/dbraw/zinc/61/08/75/544610875.db2.gz LCVGJFHJCABTDK-UHFFFAOYSA-N -1 0 315.351 -0.200 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000049606613 544621216 /nfs/dbraw/zinc/62/12/16/544621216.db2.gz YDUKWEVUCPYRMT-JTQLQIEISA-N -1 0 302.327 -0.959 20 0 DBADRM CCc1cnc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1 ZINC000679203655 544622448 /nfs/dbraw/zinc/62/24/48/544622448.db2.gz FKHJFLBPXPKDNH-UHFFFAOYSA-N -1 0 314.323 -0.565 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@]2(O)CCSC2)s1 ZINC000345671130 544623116 /nfs/dbraw/zinc/62/31/16/544623116.db2.gz VYIBPISEMYIYGU-MRVPVSSYSA-N -1 0 324.409 -0.284 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400255491 544636036 /nfs/dbraw/zinc/63/60/36/544636036.db2.gz FIYJTMQBMWRZAP-RKDXNWHRSA-N -1 0 306.384 -0.117 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000405809173 544648890 /nfs/dbraw/zinc/64/88/90/544648890.db2.gz DRYNTETYQUPWJR-SECBINFHSA-N -1 0 306.384 -0.115 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)C2CC(C(=O)[O-])C2)CC1 ZINC000682704877 544649674 /nfs/dbraw/zinc/64/96/74/544649674.db2.gz UADWQDFSMUGREE-UHFFFAOYSA-N -1 0 318.395 -0.115 20 0 DBADRM C[C@@H]1CN(C(=O)CCN2CCCS2(=O)=O)C[C@H](C(=O)[O-])O1 ZINC000262262054 544656362 /nfs/dbraw/zinc/65/63/62/544656362.db2.gz UTPWTIWGIBKHPG-NXEZZACHSA-N -1 0 320.367 -0.888 20 0 DBADRM CC(C)(CNS(=O)(=O)c1ccccc1[O-])NS(C)(=O)=O ZINC000211174885 544663628 /nfs/dbraw/zinc/66/36/28/544663628.db2.gz NSNYLEXDELLOBV-UHFFFAOYSA-N -1 0 322.408 -0.002 20 0 DBADRM CCn1cc(S(=O)(=O)N2CC(=O)N[C@H](C)C2)cc1C(=O)[O-] ZINC000387264195 544673161 /nfs/dbraw/zinc/67/31/61/544673161.db2.gz LKDUROLVLCHJPQ-MRVPVSSYSA-N -1 0 315.351 -0.285 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000351657376 544676109 /nfs/dbraw/zinc/67/61/09/544676109.db2.gz IXYYYRXSMKRRAP-RXMQYKEDSA-N -1 0 319.368 -0.531 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000351657380 544676624 /nfs/dbraw/zinc/67/66/24/544676624.db2.gz IXYYYRXSMKRRAP-YFKPBYRVSA-N -1 0 319.368 -0.531 20 0 DBADRM CC(C)[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)C(=O)[O-] ZINC000387787159 544678841 /nfs/dbraw/zinc/67/88/41/544678841.db2.gz JZIIXWDAHGFXEP-SNVBAGLBSA-N -1 0 306.322 -0.031 20 0 DBADRM CC(C)(CNC(=O)N[C@](C)(C(=O)[O-])C1CC1)NS(C)(=O)=O ZINC000111774717 544680290 /nfs/dbraw/zinc/68/02/90/544680290.db2.gz ZRWKRSKLKFGBMS-LBPRGKRZSA-N -1 0 321.399 -0.133 20 0 DBADRM O=C(CO)N1CCN(C(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000156740996 544685658 /nfs/dbraw/zinc/68/56/58/544685658.db2.gz LTFKYUOBANOYMP-UHFFFAOYSA-N -1 0 300.261 -0.053 20 0 DBADRM C[C@@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)C(=O)N(C)C ZINC000166138645 544683205 /nfs/dbraw/zinc/68/32/05/544683205.db2.gz TZVRCILASINFCI-SECBINFHSA-N -1 0 301.343 -0.356 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC000682521943 544643521 /nfs/dbraw/zinc/64/35/21/544643521.db2.gz CNBAKPSWAMOXLJ-RKDXNWHRSA-N -1 0 305.352 -0.440 20 0 DBADRM CC(C)(CNC(=O)NCC1(C(=O)[O-])CCC1)NS(C)(=O)=O ZINC000166775649 544686672 /nfs/dbraw/zinc/68/66/72/544686672.db2.gz ATEPQBOUAXUWCU-UHFFFAOYSA-N -1 0 321.399 -0.132 20 0 DBADRM NS(=O)(=O)c1ccc(N2CC[C@@H](CO)C2)c(C(=O)[O-])c1 ZINC000167801348 544695310 /nfs/dbraw/zinc/69/53/10/544695310.db2.gz ZCLNYUNLAAZJAI-MRVPVSSYSA-N -1 0 300.336 -0.149 20 0 DBADRM CN(C)C(=O)c1ccnc(NC(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000671536473 544716784 /nfs/dbraw/zinc/71/67/84/544716784.db2.gz CLAKKNHTQSNPMQ-UHFFFAOYSA-N -1 0 305.298 -0.071 20 0 DBADRM Cn1[n-]c(C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1=O ZINC000668059153 544755506 /nfs/dbraw/zinc/75/55/06/544755506.db2.gz GVIKBYPABCGYOI-LBPRGKRZSA-N -1 0 322.365 -0.021 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCS(=O)(=O)CC1 ZINC000668061985 544755943 /nfs/dbraw/zinc/75/59/43/544755943.db2.gz VMZFTTVXFIKCJF-UHFFFAOYSA-N -1 0 323.330 -0.100 20 0 DBADRM O=C(Cn1nc(-c2ccccc2)oc1=O)NCc1n[nH]c(=O)[n-]1 ZINC000673948927 544816891 /nfs/dbraw/zinc/81/68/91/544816891.db2.gz FZWJWFYJAPUCCE-UHFFFAOYSA-N -1 0 316.277 -0.357 20 0 DBADRM CCn1cc(CNC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cn1 ZINC000673159876 544796529 /nfs/dbraw/zinc/79/65/29/544796529.db2.gz WENAKFVHLDZANH-JTQLQIEISA-N -1 0 306.326 -0.651 20 0 DBADRM COc1cc(F)c(NC(=O)C(=O)NCc2nnn[n-]2)cc1F ZINC000675209717 544845046 /nfs/dbraw/zinc/84/50/46/544845046.db2.gz OTYDHXLXHOLWCI-UHFFFAOYSA-N -1 0 312.236 -0.259 20 0 DBADRM NS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1C[C@@H]1C(=O)[O-])CC2 ZINC000675962863 544855048 /nfs/dbraw/zinc/85/50/48/544855048.db2.gz BSIAAIYBPRWEFQ-UWVGGRQHSA-N -1 0 310.331 -0.056 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CCO1 ZINC000676019691 544855923 /nfs/dbraw/zinc/85/59/23/544855923.db2.gz UYHNAWISUMOVDD-OUAUKWLOSA-N -1 0 324.333 -0.526 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccc(-n2ccnc2)nn1 ZINC000676207545 544858324 /nfs/dbraw/zinc/85/83/24/544858324.db2.gz CJTXRUBCMREJFJ-UHFFFAOYSA-N -1 0 305.294 -0.165 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)NC1(C(=O)[O-])CCCC1 ZINC000676210133 544859703 /nfs/dbraw/zinc/85/97/03/544859703.db2.gz OMSIYYDTZIUXQZ-UHFFFAOYSA-N -1 0 304.310 -0.078 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000676213972 544859849 /nfs/dbraw/zinc/85/98/49/544859849.db2.gz NVVMZQFCSHZIHE-JTQLQIEISA-N -1 0 307.368 -0.241 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CCO1 ZINC000676212947 544859986 /nfs/dbraw/zinc/85/99/86/544859986.db2.gz CEZOOBYFBHDIJC-CSMHCCOUSA-N -1 0 324.255 -0.245 20 0 DBADRM CC(C)CCn1nccc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000676551618 544872551 /nfs/dbraw/zinc/87/25/51/544872551.db2.gz MYHDVKOPBXJONI-UHFFFAOYSA-N -1 0 306.330 -0.303 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)c1[nH]nc(C)c1[O-])CC2 ZINC000676700290 544876321 /nfs/dbraw/zinc/87/63/21/544876321.db2.gz NNCRJCTTXQMORP-QMMMGPOBSA-N -1 0 306.326 -0.094 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1[O-] ZINC000676631040 544873581 /nfs/dbraw/zinc/87/35/81/544873581.db2.gz KNQDGQPXEDWNEN-MRVPVSSYSA-N -1 0 302.356 -0.422 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1C ZINC000678104757 544908534 /nfs/dbraw/zinc/90/85/34/544908534.db2.gz MUHRMMHEUVBOKB-UHFFFAOYSA-N -1 0 308.302 -0.917 20 0 DBADRM C[C@H](N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1)C(F)(F)F ZINC000677950169 544902570 /nfs/dbraw/zinc/90/25/70/544902570.db2.gz JKGSTHICSDLAPV-LURJTMIESA-N -1 0 321.259 -0.009 20 0 DBADRM Cn1nnnc1-c1cccc(NC(=O)c2n[nH]c(=O)[n-]c2=O)c1 ZINC000677949622 544902743 /nfs/dbraw/zinc/90/27/43/544902743.db2.gz VAYKIIQRKAYEAX-UHFFFAOYSA-N -1 0 314.265 -0.274 20 0 DBADRM COCCOc1ccc(NC(=O)c2n[nH]c(=O)[n-]c2=O)cn1 ZINC000677948643 544902812 /nfs/dbraw/zinc/90/28/12/544902812.db2.gz YMYPHWRGDWNBIE-UHFFFAOYSA-N -1 0 307.266 -0.045 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000677949657 544902947 /nfs/dbraw/zinc/90/29/47/544902947.db2.gz XWVIFRZCFDDKTA-SNVBAGLBSA-N -1 0 315.289 -0.404 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)N1C(=O)CCC1=O ZINC000678754932 544920911 /nfs/dbraw/zinc/92/09/11/544920911.db2.gz PANUNHBEOFOVRR-RKDXNWHRSA-N -1 0 306.326 -0.557 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)C1(C(N)=O)CC1 ZINC000679096131 544925291 /nfs/dbraw/zinc/92/52/91/544925291.db2.gz HNSOWXUIHZAHFH-VIFPVBQESA-N -1 0 311.338 -0.967 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)cc1 ZINC000679202190 544926538 /nfs/dbraw/zinc/92/65/38/544926538.db2.gz ADBHRRZCNKWVLH-UHFFFAOYSA-N -1 0 323.334 -0.331 20 0 DBADRM CC(C)[C@H](NC(=O)NCCCN1CCCS1(=O)=O)C(=O)[O-] ZINC000679557228 544933348 /nfs/dbraw/zinc/93/33/48/544933348.db2.gz FQWACYOGOAWBEL-JTQLQIEISA-N -1 0 321.399 -0.180 20 0 DBADRM CN(CC(=O)[O-])C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000679540404 544933410 /nfs/dbraw/zinc/93/34/10/544933410.db2.gz KOMGKXKJTMNJMQ-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM CC(=O)NCCN(C(=O)CN(C)C(=O)C1CC1)[C@@H](C)C(=O)[O-] ZINC000679655064 544935778 /nfs/dbraw/zinc/93/57/78/544935778.db2.gz NHSMJWPSBSGRBL-VIFPVBQESA-N -1 0 313.354 -0.707 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000679654382 544935820 /nfs/dbraw/zinc/93/58/20/544935820.db2.gz AXGROCDAYXORRZ-DTWKUNHWSA-N -1 0 301.343 -0.661 20 0 DBADRM Cc1cc2c(cc1NC(=O)C(=O)NCc1nnn[n-]1)OCO2 ZINC000679732592 544938008 /nfs/dbraw/zinc/93/80/08/544938008.db2.gz SENXCLLKLQAXBD-UHFFFAOYSA-N -1 0 304.266 -0.508 20 0 DBADRM O=C(NCCn1ccnn1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000679911965 544941853 /nfs/dbraw/zinc/94/18/53/544941853.db2.gz RNNSNVUGQCOASX-UHFFFAOYSA-N -1 0 301.266 -0.543 20 0 DBADRM C[C@@](CO)(CNS(=O)(=O)CC[C@@H]1CCCO1)CC(=O)[O-] ZINC000681954029 544990003 /nfs/dbraw/zinc/99/00/03/544990003.db2.gz KSANXNSRGKJXAL-JQWIXIFHSA-N -1 0 309.384 -0.052 20 0 DBADRM C[C@](CO)(CNS(=O)(=O)CC[C@@H]1CCCO1)CC(=O)[O-] ZINC000681954024 544990028 /nfs/dbraw/zinc/99/00/28/544990028.db2.gz KSANXNSRGKJXAL-CMPLNLGQSA-N -1 0 309.384 -0.052 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)cc1 ZINC000680837797 544957008 /nfs/dbraw/zinc/95/70/08/544957008.db2.gz YJPXCHMTAXXTQJ-UHFFFAOYSA-N -1 0 323.334 -0.331 20 0 DBADRM O=C(N[C@@H]1CN(c2ccc(F)cc2)C1=O)c1n[nH]c(=O)[n-]c1=O ZINC000681068174 544961823 /nfs/dbraw/zinc/96/18/23/544961823.db2.gz XMPXYPDEKAFMEZ-MRVPVSSYSA-N -1 0 319.252 -0.433 20 0 DBADRM O=C(N[C@H]1CN(c2ccccc2)C1=O)c1n[nH]c(=O)[n-]c1=O ZINC000681067821 544961999 /nfs/dbraw/zinc/96/19/99/544961999.db2.gz TVORLSWVHZIQSO-QMMMGPOBSA-N -1 0 301.262 -0.572 20 0 DBADRM C[C@@](O)(CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-] ZINC000681129554 544964165 /nfs/dbraw/zinc/96/41/65/544964165.db2.gz MEOFHCNTFCPSSW-MEBBXXQBSA-N -1 0 321.333 -0.618 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)[O-] ZINC000681130081 544964224 /nfs/dbraw/zinc/96/42/24/544964224.db2.gz PQBPVSXDXQXJKQ-CQSZACIVSA-N -1 0 321.289 -0.545 20 0 DBADRM Cc1noc2ncc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc12 ZINC000681557668 544975224 /nfs/dbraw/zinc/97/52/24/544975224.db2.gz LPJJTYKSYUWVMB-MRVPVSSYSA-N -1 0 301.280 -0.745 20 0 DBADRM CC[C@H](CNS(=O)(=O)N(CCOC)CCOC)C(=O)[O-] ZINC000681572041 544975648 /nfs/dbraw/zinc/97/56/48/544975648.db2.gz QOYFEGDZLFYWOU-SNVBAGLBSA-N -1 0 312.388 -0.474 20 0 DBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H](COC)C(=O)[O-] ZINC000681580742 544976003 /nfs/dbraw/zinc/97/60/03/544976003.db2.gz NJUZZNAUIPFCHN-VIFPVBQESA-N -1 0 319.383 -0.077 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C1 ZINC000681641826 544977914 /nfs/dbraw/zinc/97/79/14/544977914.db2.gz OXSYOTDZYJOKBX-MNOVXSKESA-N -1 0 316.379 -0.339 20 0 DBADRM CC(C)Oc1cc(NC(=O)C(=O)NCc2nnn[n-]2)ccn1 ZINC000681719285 544979368 /nfs/dbraw/zinc/97/93/68/544979368.db2.gz NZWBEDMTHUVZEH-UHFFFAOYSA-N -1 0 305.298 -0.363 20 0 DBADRM CCOc1cnc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cn1 ZINC000681765743 544980749 /nfs/dbraw/zinc/98/07/49/544980749.db2.gz ODRVVGPTRJZOIG-UHFFFAOYSA-N -1 0 312.311 -0.351 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC000682524034 545000443 /nfs/dbraw/zinc/00/04/43/545000443.db2.gz QOEPXJRPKXTDDQ-RGOKHQFPSA-N -1 0 307.368 -0.101 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)C2CC(C(=O)[O-])C2)CC1 ZINC000682698148 545004145 /nfs/dbraw/zinc/00/41/45/545004145.db2.gz JBYFHAXLZHKBTE-UHFFFAOYSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NCc1nnn[n-]1 ZINC000683179804 545007857 /nfs/dbraw/zinc/00/78/57/545007857.db2.gz OYEVPIRVSVZSID-CQSZACIVSA-N -1 0 316.321 -0.777 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC000683339991 545009199 /nfs/dbraw/zinc/00/91/99/545009199.db2.gz YMEDDSNICSBWLN-BBBLOLIVSA-N -1 0 320.367 -0.841 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)C2CC(C(=O)[O-])C2)C1 ZINC000683340636 545009261 /nfs/dbraw/zinc/00/92/61/545009261.db2.gz JFYXGBPBNULFOT-IDKOKCKLSA-N -1 0 304.368 -0.505 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1cncnc1-n1cccn1 ZINC000683902374 545014010 /nfs/dbraw/zinc/01/40/10/545014010.db2.gz XHYOYKQGVITBAT-UHFFFAOYSA-N -1 0 306.311 -0.408 20 0 DBADRM Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCc1nnn[n-]1 ZINC000684439949 545020525 /nfs/dbraw/zinc/02/05/25/545020525.db2.gz IGVJKZJSRBSGQT-UHFFFAOYSA-N -1 0 301.314 -0.334 20 0 DBADRM O=C([O-])[C@H](NC(=O)NCc1nnnn1C1CC1)C1CCOCC1 ZINC000684739315 545023266 /nfs/dbraw/zinc/02/32/66/545023266.db2.gz DAJCNVCOQGXJHP-LLVKDONJSA-N -1 0 324.341 -0.313 20 0 DBADRM O=C([O-])[C@H](NC(=O)NCc1nnnn1C1CC1)[C@H]1CCCOC1 ZINC000684736376 545023453 /nfs/dbraw/zinc/02/34/53/545023453.db2.gz PXZQJLWVKSOIIX-GZMMTYOYSA-N -1 0 324.341 -0.313 20 0 DBADRM CCn1nnnc1-c1cccc(NC(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000684749122 545023569 /nfs/dbraw/zinc/02/35/69/545023569.db2.gz XAUGGWBQQIZCSF-SNVBAGLBSA-N -1 0 320.309 -0.073 20 0 DBADRM Cc1nnnn1-c1cccc(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000684746533 545023824 /nfs/dbraw/zinc/02/38/24/545023824.db2.gz XMOXQIGIDSZOQB-HQJQHLMTSA-N -1 0 320.309 -0.074 20 0 DBADRM CC(C)(CNC(=O)c1cnc(C(=O)[O-])cn1)NS(C)(=O)=O ZINC000685018462 545025308 /nfs/dbraw/zinc/02/53/08/545025308.db2.gz FKFDWIZWPINEBS-UHFFFAOYSA-N -1 0 316.339 -0.768 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)NCC(C)(C)S(C)(=O)=O ZINC000685503072 545032681 /nfs/dbraw/zinc/03/26/81/545032681.db2.gz QLWSEARHWQMBAI-UHFFFAOYSA-N -1 0 311.385 -0.333 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000685503727 545032765 /nfs/dbraw/zinc/03/27/65/545032765.db2.gz OAMKNMJTNVVFMU-APPZFPTMSA-N -1 0 304.372 -0.437 20 0 DBADRM CCN(C(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1)[C@H]1CCS(=O)(=O)C1 ZINC000299922069 545035705 /nfs/dbraw/zinc/03/57/05/545035705.db2.gz NPRIFQXFKDKFLD-GUBZILKMSA-N -1 0 305.352 -0.346 20 0 DBADRM COCC[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000052784658 545038007 /nfs/dbraw/zinc/03/80/07/545038007.db2.gz BFXFCGUCBPKXCO-UWVGGRQHSA-N -1 0 322.383 -0.594 20 0 DBADRM COCC[C@@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000052784573 545038076 /nfs/dbraw/zinc/03/80/76/545038076.db2.gz DWLJCKQMVQMVAS-RKDXNWHRSA-N -1 0 308.356 -0.984 20 0 DBADRM Cn1ncc(NCc2n[nH]c(=O)[n-]2)c(Br)c1=O ZINC000392517953 545038261 /nfs/dbraw/zinc/03/82/61/545038261.db2.gz TZFVEVVYTJYUGQ-UHFFFAOYSA-N -1 0 301.104 -0.021 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000400325999 265722209 /nfs/dbraw/zinc/72/22/09/265722209.db2.gz ZVDUDHYQCLSFEA-CABZTGNLSA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000396638856 265722223 /nfs/dbraw/zinc/72/22/23/265722223.db2.gz GIIMAGCEVWLQDV-NEPJUHHUSA-N -1 0 311.382 -0.090 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000420527037 265859843 /nfs/dbraw/zinc/85/98/43/265859843.db2.gz DBUMSFGCZKWAAC-SECBINFHSA-N -1 0 300.311 -0.623 20 0 DBADRM CCOC(=O)C[C@@H](C)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000420560879 265860803 /nfs/dbraw/zinc/86/08/03/265860803.db2.gz NUVCZXREHFNWQS-ZJUUUORDSA-N -1 0 314.338 -0.375 20 0 DBADRM CC(C)N1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC1=O ZINC000422827830 265880498 /nfs/dbraw/zinc/88/04/98/265880498.db2.gz NOUMLFKXJFCKCS-JTQLQIEISA-N -1 0 313.354 -0.755 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2c[nH]c3ncccc23)CCS1(=O)=O ZINC000424234569 265926950 /nfs/dbraw/zinc/92/69/50/265926950.db2.gz FGBIYZVTQZMPEU-SNVBAGLBSA-N -1 0 323.330 -0.113 20 0 DBADRM CCc1nn(C)cc1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424248585 265928446 /nfs/dbraw/zinc/92/84/46/265928446.db2.gz SEEWEURVPHNTRS-JTQLQIEISA-N -1 0 315.351 -0.694 20 0 DBADRM C[C@H]1CCCN(C(=O)CN2CCCS2(=O)=O)[C@@H]1C(=O)[O-] ZINC000424245188 265928681 /nfs/dbraw/zinc/92/86/81/265928681.db2.gz GKSMGHQXKOFOJU-ONGXEEELSA-N -1 0 304.368 -0.266 20 0 DBADRM Cc1ncc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)s1 ZINC000424246111 265928683 /nfs/dbraw/zinc/92/86/83/265928683.db2.gz PNRVVSMUWBWBQL-QMMMGPOBSA-N -1 0 304.349 -0.225 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCn2cnnc2C1)C(=O)[O-] ZINC000424486653 265937607 /nfs/dbraw/zinc/93/76/07/265937607.db2.gz GGSAEGKOVXHOFA-SNVBAGLBSA-N -1 0 323.353 -0.517 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CSCC(=O)[O-] ZINC000432121341 266027745 /nfs/dbraw/zinc/02/77/45/266027745.db2.gz FWWJRPRCUIGQKZ-DTWKUNHWSA-N -1 0 324.424 -0.219 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@H]2CCCC(=O)N2)cc1C(=O)[O-] ZINC000432741774 266034196 /nfs/dbraw/zinc/03/41/96/266034196.db2.gz JRKVJGVYSYXISG-MRVPVSSYSA-N -1 0 315.351 -0.330 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000432719039 266034481 /nfs/dbraw/zinc/03/44/81/266034481.db2.gz RUCQPSIPILDKFR-ZETCQYMHSA-N -1 0 305.360 -0.910 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCn1ncnn1 ZINC000433974897 266045828 /nfs/dbraw/zinc/04/58/28/266045828.db2.gz CPJGZHDLXNQPPU-UHFFFAOYSA-N -1 0 324.366 -0.135 20 0 DBADRM CCC[C@@H](NC(=O)CCCN1C(=O)CNC1=O)c1nnn[n-]1 ZINC000434762841 266055134 /nfs/dbraw/zinc/05/51/34/266055134.db2.gz IQQDNZOZFRDYJG-MRVPVSSYSA-N -1 0 309.330 -0.511 20 0 DBADRM CCC[C@H](NC(=O)CCCN1C(=O)CN(C)C1=O)c1nnn[n-]1 ZINC000434769630 266055444 /nfs/dbraw/zinc/05/54/44/266055444.db2.gz ZKVPPVWSAFMONB-VIFPVBQESA-N -1 0 323.357 -0.169 20 0 DBADRM CN1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1=O ZINC000436336003 266068247 /nfs/dbraw/zinc/06/82/47/266068247.db2.gz OEVHBLFMQAPVHT-UHFFFAOYSA-N -1 0 315.337 -0.421 20 0 DBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cccs2)n1 ZINC000437322204 266074878 /nfs/dbraw/zinc/07/48/78/266074878.db2.gz DLUXUIIWTXINMF-UHFFFAOYSA-N -1 0 301.353 -0.114 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C)n(C)n2)cn1 ZINC000439042923 266084730 /nfs/dbraw/zinc/08/47/30/266084730.db2.gz OWICCIOQOIGLGL-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM CCOCCO[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000441752991 266118287 /nfs/dbraw/zinc/11/82/87/266118287.db2.gz SIFMTFIBOQPBPV-JTQLQIEISA-N -1 0 311.338 -0.247 20 0 DBADRM COCCc1nc(=NCc2cn(CC(=O)OC)nn2)s[n-]1 ZINC000441960283 266121024 /nfs/dbraw/zinc/12/10/24/266121024.db2.gz YSVWTUNDPMAFAD-UHFFFAOYSA-N -1 0 312.355 -0.475 20 0 DBADRM CCS(=O)(=O)N1CC(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)C1 ZINC000442661896 266127133 /nfs/dbraw/zinc/12/71/33/266127133.db2.gz OVUOTDJVGGSFOC-VHSXEESVSA-N -1 0 320.367 -0.984 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)O1 ZINC000442661616 266127323 /nfs/dbraw/zinc/12/73/23/266127323.db2.gz CMVOLHORDNVRFL-ZNSHCXBVSA-N -1 0 314.338 -0.629 20 0 DBADRM O=C1CCC(=O)N1CCCNS(=O)(=O)[N-]CC(F)(F)F ZINC000442949454 266132915 /nfs/dbraw/zinc/13/29/15/266132915.db2.gz YPMFSUNVMWWNGK-UHFFFAOYSA-N -1 0 317.289 -0.488 20 0 DBADRM CN(C)c1ncc(CNS(=O)(=O)[N-]CC(F)(F)F)n1C ZINC000442948207 266133349 /nfs/dbraw/zinc/13/33/49/266133349.db2.gz GNTNKDFBPKHHQN-UHFFFAOYSA-N -1 0 315.321 -0.028 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000442947121 266133507 /nfs/dbraw/zinc/13/35/07/266133507.db2.gz DAJZNBFVUJFVBE-ZCFIWIBFSA-N -1 0 310.319 -0.498 20 0 DBADRM CC(C)N1C(=O)C[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C1=O ZINC000443009683 266134002 /nfs/dbraw/zinc/13/40/02/266134002.db2.gz ZHHYPNYIKGMSEN-LURJTMIESA-N -1 0 317.289 -0.491 20 0 DBADRM COC(=O)[C@]1(NS(=O)(=O)[N-]CC(F)(F)F)CCOC1 ZINC000443013347 266134236 /nfs/dbraw/zinc/13/42/36/266134236.db2.gz VYRJUWQXESNPKT-ZETCQYMHSA-N -1 0 306.262 -0.695 20 0 DBADRM NC(=O)[C@@H]1CSCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000443051410 266135801 /nfs/dbraw/zinc/13/58/01/266135801.db2.gz SRPGLRGSDKKWAG-YFKPBYRVSA-N -1 0 307.319 -0.714 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccnn1C ZINC000491894780 266150141 /nfs/dbraw/zinc/15/01/41/266150141.db2.gz MOPHGYQADQQVDW-WAYWQWQTSA-N -1 0 315.351 -0.168 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000492217938 266154613 /nfs/dbraw/zinc/15/46/13/266154613.db2.gz LBZWIABRJZRDBS-GFVADAIESA-N -1 0 323.349 -0.191 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)/C=C\c1cnc(OC)nc1 ZINC000492649253 266162699 /nfs/dbraw/zinc/16/26/99/266162699.db2.gz PISXJOHXRNPUKI-WAYWQWQTSA-N -1 0 300.340 -0.189 20 0 DBADRM CCn1nccc1/C=C/C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000492741412 266164212 /nfs/dbraw/zinc/16/42/12/266164212.db2.gz VZYDQNWVNZKWGA-SNAWJCMRSA-N -1 0 310.339 -0.450 20 0 DBADRM CCn1ccnc1/C=C/C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000492760973 266165595 /nfs/dbraw/zinc/16/55/95/266165595.db2.gz KBODBFQPQCQUEH-SNAWJCMRSA-N -1 0 310.339 -0.450 20 0 DBADRM Cn1nccc1/C=C/C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000492893026 266166719 /nfs/dbraw/zinc/16/67/19/266166719.db2.gz HNQDXKUZMCGYHF-ONEGZZNKSA-N -1 0 300.340 -0.985 20 0 DBADRM COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cn1 ZINC000493113120 266170677 /nfs/dbraw/zinc/17/06/77/266170677.db2.gz FKAOLEMMWAUNKA-MXQLGCADSA-N -1 0 313.335 -0.267 20 0 DBADRM O=C(/C=C/c1cccnc1)NCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000493378336 266174666 /nfs/dbraw/zinc/17/46/66/266174666.db2.gz CGPBLMCYKPMTBY-AAOUONPWSA-N -1 0 319.317 -0.477 20 0 DBADRM COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)C[C@H](C)OC)cn1 ZINC000493327440 266174690 /nfs/dbraw/zinc/17/46/90/266174690.db2.gz AHWMOKHEAVEQFW-WBSSQXGSSA-N -1 0 315.351 -0.021 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C/c1cscn1 ZINC000493375673 266174869 /nfs/dbraw/zinc/17/48/69/266174869.db2.gz ZJEXUCHPBOSJGG-NSCUHMNNSA-N -1 0 303.365 -0.262 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000493475099 266176296 /nfs/dbraw/zinc/17/62/96/266176296.db2.gz XYSBHAOVSGHDIP-LURJTMIESA-N -1 0 313.383 -0.424 20 0 DBADRM Cn1nccc1C=CC(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000493431781 266176639 /nfs/dbraw/zinc/17/66/39/266176639.db2.gz JUQYKVHQSHRQMI-XADBCAIWSA-N -1 0 318.293 -0.774 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000493484573 266176846 /nfs/dbraw/zinc/17/68/46/266176846.db2.gz CNKAEXWHGDNWPY-DTHFDLDCSA-N -1 0 307.306 -0.923 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000493620513 266178669 /nfs/dbraw/zinc/17/86/69/266178669.db2.gz ORDNLXBYRMCKMY-XYBNCVKDSA-N -1 0 319.317 -0.186 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000493583523 266179547 /nfs/dbraw/zinc/17/95/47/266179547.db2.gz KIJRXKCAKAWJJL-DLGQBQFBSA-N -1 0 319.317 -0.234 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@H](CC2CC2)C(=O)[O-])c(=O)n(C)c1=O ZINC000493671376 266180282 /nfs/dbraw/zinc/18/02/82/266180282.db2.gz AFJXVNWKADZZKS-MVIFTORASA-N -1 0 321.333 -0.533 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC000493788948 266182204 /nfs/dbraw/zinc/18/22/04/266182204.db2.gz NGHLSDSVBKHINK-WYDVEAGSSA-N -1 0 321.333 -0.439 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)CCCNC(=O)OCC ZINC000493915595 266183623 /nfs/dbraw/zinc/18/36/23/266183623.db2.gz WBGCJHPMLDDFDB-UHFFFAOYSA-N -1 0 310.372 -0.005 20 0 DBADRM CC(C)(C)c1nc(=NC(=O)C(=O)NC[C@@H](O)C(F)F)s[n-]1 ZINC000494236438 266190009 /nfs/dbraw/zinc/19/00/09/266190009.db2.gz DCWJZRVMFCWLPK-RXMQYKEDSA-N -1 0 322.337 -0.062 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)OC)nc1C ZINC000494361445 266193129 /nfs/dbraw/zinc/19/31/29/266193129.db2.gz CEKFGEMOWFTWJN-UHFFFAOYSA-N -1 0 318.355 -0.285 20 0 DBADRM CCOC(=O)N1CCC[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])C1 ZINC000495343840 266204825 /nfs/dbraw/zinc/20/48/25/266204825.db2.gz YJJBHASEBHPVCV-TVQRCGJNSA-N -1 0 302.327 -0.193 20 0 DBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000495325749 266204840 /nfs/dbraw/zinc/20/48/40/266204840.db2.gz AKEYDDREMVOFBG-UHFFFAOYSA-N -1 0 318.355 -0.249 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)[N-]OCCO)=NO1 ZINC000495418702 266205940 /nfs/dbraw/zinc/20/59/40/266205940.db2.gz OOMNQBZLEAROPI-QMMMGPOBSA-N -1 0 303.315 -0.304 20 0 DBADRM C[C@](O)(CNC(=O)CCNC(=O)OCC(F)(F)F)C(=O)[O-] ZINC000495424342 266206049 /nfs/dbraw/zinc/20/60/49/266206049.db2.gz LDYLSKJNJCIQLJ-VIFPVBQESA-N -1 0 316.232 -0.383 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CN(C)C(=O)OC ZINC000495590149 266209614 /nfs/dbraw/zinc/20/96/14/266209614.db2.gz RJIUHSWXGWHKEU-HTQZYQBOSA-N -1 0 324.355 -0.672 20 0 DBADRM CO[C@@H](C)C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C ZINC000495753105 266216591 /nfs/dbraw/zinc/21/65/91/266216591.db2.gz DRISAWIOOLILMT-QMMMGPOBSA-N -1 0 310.372 -0.008 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cnccc1C ZINC000495886999 266221681 /nfs/dbraw/zinc/22/16/81/266221681.db2.gz CRZLGXZJNBJQBP-UHFFFAOYSA-N -1 0 301.324 -0.107 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)OC[C@@H]2CCCO2)CCS1(=O)=O ZINC000496110554 266226333 /nfs/dbraw/zinc/22/63/33/266226333.db2.gz XNNKFHNTPKGXIO-DTWKUNHWSA-N -1 0 307.324 -0.514 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000496130342 266226861 /nfs/dbraw/zinc/22/68/61/266226861.db2.gz SOSAIOZUNBWFDV-UHFFFAOYSA-N -1 0 318.355 -0.498 20 0 DBADRM CCOC(=O)N1CCN(C(=O)CN(C)[C@@H](C)C(=O)[O-])CC1 ZINC000496234147 266229428 /nfs/dbraw/zinc/22/94/28/266229428.db2.gz OVIWQHWAWRBRBZ-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000496615485 266240753 /nfs/dbraw/zinc/24/07/53/266240753.db2.gz NZNKNCIIFQWQOQ-UHFFFAOYSA-N -1 0 304.328 -0.768 20 0 DBADRM CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(=O)[nH][n-]1 ZINC000496680658 266243084 /nfs/dbraw/zinc/24/30/84/266243084.db2.gz PCUHUHZPYHPFEV-MRVPVSSYSA-N -1 0 314.342 -0.794 20 0 DBADRM CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(=O)[nH][n-]1 ZINC000496680662 266243519 /nfs/dbraw/zinc/24/35/19/266243519.db2.gz PCUHUHZPYHPFEV-QMMMGPOBSA-N -1 0 314.342 -0.794 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000496807510 266246740 /nfs/dbraw/zinc/24/67/40/266246740.db2.gz DHZWOOQSBWSWAB-UHFFFAOYSA-N -1 0 304.328 -0.720 20 0 DBADRM CCOC(=O)N1CCC(C(=O)NCCc2nc(=O)o[n-]2)CC1 ZINC000496835089 266246760 /nfs/dbraw/zinc/24/67/60/266246760.db2.gz FWNJHXXICIIBDA-UHFFFAOYSA-N -1 0 312.326 -0.110 20 0 DBADRM CCOC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)C1 ZINC000496918819 266250237 /nfs/dbraw/zinc/25/02/37/266250237.db2.gz GJHBPVNFEKCOMD-KXUCPTDWSA-N -1 0 300.311 -0.034 20 0 DBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)C[C@@H](C)OC ZINC000496971767 266250733 /nfs/dbraw/zinc/25/07/33/266250733.db2.gz BLLHZPVKCMABRJ-SECBINFHSA-N -1 0 310.372 -0.006 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)OCc2n[nH]c(=O)[n-]2)C1 ZINC000496994266 266252346 /nfs/dbraw/zinc/25/23/46/266252346.db2.gz FZHWAJWVRZWHSY-UHFFFAOYSA-N -1 0 314.298 -0.465 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)OC[C@H]1CCCO1 ZINC000496987634 266252975 /nfs/dbraw/zinc/25/29/75/266252975.db2.gz TVQUISGHSIPDSP-SFYZADRCSA-N -1 0 312.282 -0.432 20 0 DBADRM C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1cnn(C)c1 ZINC000514600137 266261141 /nfs/dbraw/zinc/26/11/41/266261141.db2.gz LONUUMLSMFMFOJ-WPRPVWTQSA-N -1 0 302.356 -0.136 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cn(C(C)C)cn1)C(=O)[O-] ZINC000514657324 266261423 /nfs/dbraw/zinc/26/14/23/266261423.db2.gz SQYVNTJVQGGXLU-MRVPVSSYSA-N -1 0 319.339 -0.241 20 0 DBADRM CCCc1nc(=NC(=O)NCC(=O)N2CCOCC2)s[n-]1 ZINC000514694413 266263510 /nfs/dbraw/zinc/26/35/10/266263510.db2.gz JHHFKJVEVSRQLK-UHFFFAOYSA-N -1 0 313.383 -0.107 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000514861096 266266438 /nfs/dbraw/zinc/26/64/38/266266438.db2.gz PYJGAPMDDIMOCV-NAKRPEOUSA-N -1 0 307.368 -0.037 20 0 DBADRM C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000515434075 266271991 /nfs/dbraw/zinc/27/19/91/266271991.db2.gz GMHSNRNFXKJOIH-GFCCVEGCSA-N -1 0 316.383 -0.990 20 0 DBADRM COC[C@H](NC(=O)NCCCOC[C@H]1CCCO1)C(=O)[O-] ZINC000515582244 266273567 /nfs/dbraw/zinc/27/35/67/266273567.db2.gz KUWJEQIPOKRQGA-MNOVXSKESA-N -1 0 304.343 -0.029 20 0 DBADRM C[C@H](O)[C@H]1CCN(c2cc(N3CCO[C@@H](C(=O)[O-])C3)ncn2)C1 ZINC000515487540 266274059 /nfs/dbraw/zinc/27/40/59/266274059.db2.gz XBMBMVAJNWGZCV-SDDRHHMPSA-N -1 0 322.365 -0.027 20 0 DBADRM C[C@@H](C(=O)Nc1nccs1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000515852284 266274607 /nfs/dbraw/zinc/27/46/07/266274607.db2.gz WCBILVRLGKRKMO-QMMMGPOBSA-N -1 0 312.351 -0.301 20 0 DBADRM O=C(CNC(=O)c1ccc(O)cc1)NCCc1nc(=O)o[n-]1 ZINC000515981673 266276846 /nfs/dbraw/zinc/27/68/46/266276846.db2.gz XTCOESUOHVKAFT-UHFFFAOYSA-N -1 0 306.278 -0.843 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)CC1 ZINC000516179513 266277928 /nfs/dbraw/zinc/27/79/28/266277928.db2.gz WNTZWNMBDRFSOF-VHSXEESVSA-N -1 0 307.368 -0.035 20 0 DBADRM CC(C)NS(=O)(=O)c1cccc(CN=c2nn[n-]n2C)c1 ZINC000516201573 266278942 /nfs/dbraw/zinc/27/89/42/266278942.db2.gz PLBYZUIICUUIFQ-UHFFFAOYSA-N -1 0 310.383 -0.069 20 0 DBADRM CN(CC(C)(CO)CO)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000517030279 266289573 /nfs/dbraw/zinc/28/95/73/266289573.db2.gz QWCPCVPHZVXAGA-UHFFFAOYSA-N -1 0 324.333 -0.227 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCCCC(=O)[O-] ZINC000517137964 266289765 /nfs/dbraw/zinc/28/97/65/266289765.db2.gz QPNBFJLHNRDDPC-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCc2cnn(C)c2)C[C@@H]1C(=O)[O-] ZINC000517030205 266290183 /nfs/dbraw/zinc/29/01/83/266290183.db2.gz JRRRGLBUAOIDCJ-PWSUYJOCSA-N -1 0 322.365 -0.352 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000517236015 266291353 /nfs/dbraw/zinc/29/13/53/266291353.db2.gz GFURWLJXTZHWTK-ZJUUUORDSA-N -1 0 306.384 -0.163 20 0 DBADRM Cn1cc(N2CCN(C(=O)CSCC(=O)[O-])CC2=O)cn1 ZINC000517235367 266291817 /nfs/dbraw/zinc/29/18/17/266291817.db2.gz JDUBNJJVRJPODB-UHFFFAOYSA-N -1 0 312.351 -0.587 20 0 DBADRM COCCN(C)S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F ZINC000517620012 266294898 /nfs/dbraw/zinc/29/48/98/266294898.db2.gz GMOBKGASFKEBPX-ZETCQYMHSA-N -1 0 304.315 -0.245 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC000517742682 266297167 /nfs/dbraw/zinc/29/71/67/266297167.db2.gz HRKZFZVRJCFPRP-NQMVMOMDSA-N -1 0 303.340 -0.329 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000518038648 266298631 /nfs/dbraw/zinc/29/86/31/266298631.db2.gz WQYGPYPAGNKJDX-NSHDSACASA-N -1 0 324.399 -0.235 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000518542282 266303901 /nfs/dbraw/zinc/30/39/01/266303901.db2.gz OVBOZLPCMCREEM-UJNFCWOMSA-N -1 0 303.340 -0.498 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000519600672 266311376 /nfs/dbraw/zinc/31/13/76/266311376.db2.gz GIVGJUMIWAWYFR-ONGXEEELSA-N -1 0 319.383 -0.003 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@@H]2C2CC2)C[C@H]1C(=O)[O-] ZINC000519817522 266314752 /nfs/dbraw/zinc/31/47/52/266314752.db2.gz ZAKKCNJVNSQGER-HJQYOEGKSA-N -1 0 310.350 -0.151 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000520212953 266316784 /nfs/dbraw/zinc/31/67/84/266316784.db2.gz OOSYFOQISZQAQX-UTUOFQBUSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])C[C@]1(NS(=O)(=O)CC[C@H]2CCOC2)CCOC1 ZINC000521426909 266325655 /nfs/dbraw/zinc/32/56/55/266325655.db2.gz TWOZETBVTYDLRC-ZYHUDNBSSA-N -1 0 307.368 -0.034 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)[C@H]1CO ZINC000521609664 266328605 /nfs/dbraw/zinc/32/86/05/266328605.db2.gz ADLKYQDCPOBCFZ-CENBSLRLSA-N -1 0 324.377 -0.071 20 0 DBADRM CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000528908944 266381508 /nfs/dbraw/zinc/38/15/08/266381508.db2.gz RBIDLPCQDNHLRT-UHFFFAOYSA-N -1 0 312.347 -0.152 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1Cc2c1cccc2Cl ZINC000528981195 266382228 /nfs/dbraw/zinc/38/22/28/266382228.db2.gz KDVPCUHTHHQJNY-QMMMGPOBSA-N -1 0 302.739 -0.089 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1Cc2c1cccc2Cl ZINC000528981194 266382592 /nfs/dbraw/zinc/38/25/92/266382592.db2.gz KDVPCUHTHHQJNY-MRVPVSSYSA-N -1 0 302.739 -0.089 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000529016280 266382728 /nfs/dbraw/zinc/38/27/28/266382728.db2.gz WQZYCXZARWVTHB-VIFPVBQESA-N -1 0 314.367 -0.073 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000528958190 266382875 /nfs/dbraw/zinc/38/28/75/266382875.db2.gz BAMMNLWUYHRURY-YTWAJWBKSA-N -1 0 306.384 -0.261 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000529112396 266383457 /nfs/dbraw/zinc/38/34/57/266383457.db2.gz BAYHJSGKYVXTGA-MNOVXSKESA-N -1 0 320.411 -0.279 20 0 DBADRM CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000529106709 266383703 /nfs/dbraw/zinc/38/37/03/266383703.db2.gz LJYLFJSPQQJFKD-VHSXEESVSA-N -1 0 306.384 -0.670 20 0 DBADRM CC1(c2nc(=NC(=O)CC[C@@H]3NC(=O)NC3=O)s[n-]2)CC1 ZINC000529702101 266393782 /nfs/dbraw/zinc/39/37/82/266393782.db2.gz HEARSRROIODACY-LURJTMIESA-N -1 0 309.351 -0.062 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCOC(C)(C)C2)C1 ZINC000530150489 266405511 /nfs/dbraw/zinc/40/55/11/266405511.db2.gz GEQAUDBBHCRMKU-LBPRGKRZSA-N -1 0 322.383 -0.483 20 0 DBADRM CCn1cnc(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c1 ZINC000530149877 266405766 /nfs/dbraw/zinc/40/57/66/266405766.db2.gz ILBYSILAILCPBB-BDAKNGLRSA-N -1 0 303.340 -0.234 20 0 DBADRM COC[C@H](C)S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1C ZINC000530382753 266409911 /nfs/dbraw/zinc/40/99/11/266409911.db2.gz UQFKNXKWRIEMEZ-XVKPBYJWSA-N -1 0 305.356 -0.191 20 0 DBADRM Cc1c([C@@H](NS(=O)(=O)[C@@H]2CCOC2)C(=O)[O-])cnn1C ZINC000530383046 266410941 /nfs/dbraw/zinc/41/09/41/266410941.db2.gz JEJAYQYDAFZMRH-PSASIEDQSA-N -1 0 303.340 -0.437 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)c[nH]1 ZINC000530542262 266412178 /nfs/dbraw/zinc/41/21/78/266412178.db2.gz YUMNARRFVKDCAO-SSDOTTSWSA-N -1 0 320.323 -0.431 20 0 DBADRM CCOC(=O)C1(CNC(=O)c2cnc([O-])n(C)c2=O)CCC1 ZINC000531202163 266423143 /nfs/dbraw/zinc/42/31/43/266423143.db2.gz NRMNGDCPCNVEPT-UHFFFAOYSA-N -1 0 309.322 -0.051 20 0 DBADRM CC[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000531745043 266429852 /nfs/dbraw/zinc/42/98/52/266429852.db2.gz CPRDHMWQVKMMJH-SNVBAGLBSA-N -1 0 300.336 -0.144 20 0 DBADRM CC(=O)NC1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CCCCC1 ZINC000363518232 278080412 /nfs/dbraw/zinc/08/04/12/278080412.db2.gz SNRJRTWJSYHPCY-NSHDSACASA-N -1 0 322.369 -0.061 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000262281880 278096370 /nfs/dbraw/zinc/09/63/70/278096370.db2.gz LCIRLFWLEIBYOG-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000262857928 278096378 /nfs/dbraw/zinc/09/63/78/278096378.db2.gz TUADEZDLABPMCR-IINYFYTJSA-N -1 0 313.354 -0.612 20 0 DBADRM CC[C@H](NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-] ZINC000262053246 288011648 /nfs/dbraw/zinc/01/16/48/288011648.db2.gz FVQVWAZZBPXHFD-SCZZXKLOSA-N -1 0 307.368 -0.052 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc(C(N)=O)nc1)[C@H](C)C(=O)[O-] ZINC000357768803 278107988 /nfs/dbraw/zinc/10/79/88/278107988.db2.gz CUPIXFISJUSOBK-MRVPVSSYSA-N -1 0 322.321 -0.768 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)C[C@H]1CCCO1 ZINC000262429421 278113157 /nfs/dbraw/zinc/11/31/57/278113157.db2.gz OCAVPBWIJOBNRH-MWLCHTKSSA-N -1 0 322.383 -0.594 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N=c1nc(C(C)(C)C)[n-]s1)C(N)=O ZINC000345951418 278132841 /nfs/dbraw/zinc/13/28/41/278132841.db2.gz KXNQSUXBVVXSEJ-ZETCQYMHSA-N -1 0 313.383 -0.424 20 0 DBADRM CC(=O)N[C@H](CC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)C(N)=O ZINC000341364035 278170275 /nfs/dbraw/zinc/17/02/75/278170275.db2.gz QWAYVVAKRGRLAI-IMSIIYSGSA-N -1 0 311.338 -0.920 20 0 DBADRM CC(C)C(=O)N1CCCC[C@@H]1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262426445 278674062 /nfs/dbraw/zinc/67/40/62/278674062.db2.gz BCXKYEFHPFMGEF-YGRLFVJLSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)C[C@H](CNC(=O)N1CCO[C@H](C(N)=O)C1)C(=O)[O-] ZINC000263109474 279151034 /nfs/dbraw/zinc/15/10/34/279151034.db2.gz YIUZPZKAWCKEOW-ZJUUUORDSA-N -1 0 301.343 -0.371 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)[C@@H](C)n2cncn2)C1=O ZINC000358709185 280187561 /nfs/dbraw/zinc/18/75/61/280187561.db2.gz DVPRXPXEXXZXTG-GMTAPVOTSA-N -1 0 323.353 -0.335 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)c2csnn2)C1=O ZINC000358723402 280189029 /nfs/dbraw/zinc/18/90/29/280189029.db2.gz ZEGUKADZIIGRGG-IONNQARKSA-N -1 0 312.351 -0.022 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000262373154 292679429 /nfs/dbraw/zinc/67/94/29/292679429.db2.gz FTGAHBUHKQGWAR-VHSXEESVSA-N -1 0 324.399 -0.348 20 0 DBADRM COCC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC000262327931 292706204 /nfs/dbraw/zinc/70/62/04/292706204.db2.gz ULSWLEYDZZKTNH-DTWKUNHWSA-N -1 0 324.399 -0.444 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000263464002 293447277 /nfs/dbraw/zinc/44/72/77/293447277.db2.gz FPYMTFFFDDSHDR-IUCAKERBSA-N -1 0 310.372 -0.738 20 0 DBADRM CO[C@@H](CNC(=O)[C@H](C(C)C)N1CCCS1(=O)=O)C(=O)[O-] ZINC000263133075 293541188 /nfs/dbraw/zinc/54/11/88/293541188.db2.gz TZRXGNHHJRWTID-UWVGGRQHSA-N -1 0 322.383 -0.738 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCN2CCCS2(=O)=O)C1 ZINC000262176742 293861692 /nfs/dbraw/zinc/86/16/92/293861692.db2.gz RIUGULRHNNLKLC-ZJUUUORDSA-N -1 0 320.367 -0.888 20 0 DBADRM CO[C@H](CNC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)[O-] ZINC000263104516 294432215 /nfs/dbraw/zinc/43/22/15/294432215.db2.gz OUEPNIGFHLDQEB-GFCCVEGCSA-N -1 0 319.317 -0.308 20 0 DBADRM CO[C@H](CNC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O)C(=O)[O-] ZINC000263133071 294447829 /nfs/dbraw/zinc/44/78/29/294447829.db2.gz TZRXGNHHJRWTID-NXEZZACHSA-N -1 0 322.383 -0.738 20 0 DBADRM CO[C@H](CNC(=O)[C@@H]1CSCN1C(=O)C1CCC1)C(=O)[O-] ZINC000427772614 294448950 /nfs/dbraw/zinc/44/89/50/294448950.db2.gz VZCRFQVGHDZYOQ-VHSXEESVSA-N -1 0 316.379 -0.096 20 0 DBADRM COc1cc(OC)cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC000274975911 295011961 /nfs/dbraw/zinc/01/19/61/295011961.db2.gz XAHDPEVXMXKNRA-NSHDSACASA-N -1 0 319.335 -0.182 20 0 DBADRM COc1ccc(S(=O)(=O)N(C)CCC(=O)[O-])cc1C(N)=O ZINC000037932298 295187032 /nfs/dbraw/zinc/18/70/32/295187032.db2.gz BDULMSLVTXJXEE-UHFFFAOYSA-N -1 0 316.335 -0.111 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N2CCOC[C@H]2CC(=O)[O-])CC1 ZINC000263261277 295481450 /nfs/dbraw/zinc/48/14/50/295481450.db2.gz GNMBBFBAYOXICX-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])C1 ZINC000252160867 297230585 /nfs/dbraw/zinc/23/05/85/297230585.db2.gz PVGAORWVZQHXMJ-MXWKQRLJSA-N -1 0 306.384 -0.006 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1 ZINC000036983303 297361548 /nfs/dbraw/zinc/36/15/48/297361548.db2.gz LAGKXRQONZMIMM-LMLFDSFASA-N -1 0 306.384 -0.271 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000447742899 297644935 /nfs/dbraw/zinc/64/49/35/297644935.db2.gz RKFVZHSZWWVFBN-WJWGPLDTSA-N -1 0 320.305 -0.294 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424502341 298856056 /nfs/dbraw/zinc/85/60/56/298856056.db2.gz NQRSLCQCKJWJTM-MRVPVSSYSA-N -1 0 322.383 -0.847 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CCN1S(C)(=O)=O ZINC000261981715 300177836 /nfs/dbraw/zinc/17/78/36/300177836.db2.gz CBYAJDVMIOIKNU-LPEHRKFASA-N -1 0 304.368 -0.411 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N[C@]3(C(=O)[O-])CCOC3)nc2n1 ZINC000262388374 301259727 /nfs/dbraw/zinc/25/97/27/301259727.db2.gz ZKSWXJFFOXEUID-CYBMUJFWSA-N -1 0 305.294 -0.285 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])nc1Cl ZINC000275070598 302919568 /nfs/dbraw/zinc/91/95/68/302919568.db2.gz LGBUXLQMYGBXJG-YFKPBYRVSA-N -1 0 324.746 -0.930 20 0 DBADRM NC(=O)Cn1cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)nn1 ZINC000262385838 303262738 /nfs/dbraw/zinc/26/27/38/303262738.db2.gz MBNABXCAWSNZDS-MIMYLULJSA-N -1 0 321.337 -0.379 20 0 DBADRM NC(=O)[C@@H]1CCCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000338414096 303294779 /nfs/dbraw/zinc/29/47/79/303294779.db2.gz XXOCGVPVZYMNIF-VIFPVBQESA-N -1 0 317.305 -0.084 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)C1 ZINC000408484112 303300467 /nfs/dbraw/zinc/30/04/67/303300467.db2.gz YUTQEODGEDGREI-GMTAPVOTSA-N -1 0 318.395 -0.097 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)C1 ZINC000408484114 303300655 /nfs/dbraw/zinc/30/06/55/303300655.db2.gz YUTQEODGEDGREI-MXWKQRLJSA-N -1 0 318.395 -0.097 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000570771821 332812950 /nfs/dbraw/zinc/81/29/50/332812950.db2.gz AUISDTGSDLSIHQ-KOLCDFICSA-N -1 0 323.367 -0.573 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCn2cccn2)C[C@H]1C(=O)[O-] ZINC000584053451 331654158 /nfs/dbraw/zinc/65/41/58/331654158.db2.gz LYXWTFOBNUNOAX-GHMZBOCLSA-N -1 0 308.338 -0.432 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCn2cccn2)C[C@@H]1C(=O)[O-] ZINC000584053452 331654219 /nfs/dbraw/zinc/65/42/19/331654219.db2.gz LYXWTFOBNUNOAX-MNOVXSKESA-N -1 0 308.338 -0.432 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000580062396 332921860 /nfs/dbraw/zinc/92/18/60/332921860.db2.gz VRSJRPNMGKELDO-SNVBAGLBSA-N -1 0 323.349 -0.857 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC(=O)N1 ZINC000584107409 331742171 /nfs/dbraw/zinc/74/21/71/331742171.db2.gz XKKNJDNLCMKKHP-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H](C(=O)NCC(F)(F)F)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000573123558 331912882 /nfs/dbraw/zinc/91/28/82/331912882.db2.gz JCENXWFRYASUDR-SSDOTTSWSA-N -1 0 311.260 -0.718 20 0 DBADRM C[C@@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)C[C@@H]1C(=O)[O-] ZINC000566181197 332023869 /nfs/dbraw/zinc/02/38/69/332023869.db2.gz HXOCOLBSDUECPE-UTLUCORTSA-N -1 0 304.368 -0.074 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-] ZINC000569418845 332078483 /nfs/dbraw/zinc/07/84/83/332078483.db2.gz TURRIFYDDRTEJT-MRVPVSSYSA-N -1 0 311.356 -0.405 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CCO1 ZINC000569462815 332095171 /nfs/dbraw/zinc/09/51/71/332095171.db2.gz GWOCTDJFCZLZNO-VIFPVBQESA-N -1 0 318.351 -0.241 20 0 DBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)C[C@H](OC)C2CC2)n1 ZINC000569577564 332142848 /nfs/dbraw/zinc/14/28/48/332142848.db2.gz RDSGBQPKTKUQFT-VIFPVBQESA-N -1 0 318.355 -0.382 20 0 DBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1)C(N)=O ZINC000584291596 332220256 /nfs/dbraw/zinc/22/02/56/332220256.db2.gz XWOWBXLAVZLKEJ-SNVBAGLBSA-N -1 0 307.306 -0.051 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC000566240597 332274392 /nfs/dbraw/zinc/27/43/92/332274392.db2.gz HXAATTDLUOXTDM-NQMVMOMDSA-N -1 0 303.340 -0.329 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)CCCCO)C[C@H]1C(=O)[O-] ZINC000574084215 332317005 /nfs/dbraw/zinc/31/70/05/332317005.db2.gz KTFXWQSGNMIQAD-GHMZBOCLSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000566311838 332334273 /nfs/dbraw/zinc/33/42/73/332334273.db2.gz JHQIPMBMWHRVKH-JXUBOQSCSA-N -1 0 320.367 -0.856 20 0 DBADRM COC[C@@](C)([N-]S(=O)(=O)C[C@H](OC)C1CC1)C(=O)OC ZINC000583378617 332373607 /nfs/dbraw/zinc/37/36/07/332373607.db2.gz BJHRAYZACNEFRG-CMPLNLGQSA-N -1 0 309.384 -0.091 20 0 DBADRM C[C@@H]1CN(C(=O)N2CCS(=O)(=O)CC2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC000574813019 332432219 /nfs/dbraw/zinc/43/22/19/332432219.db2.gz MMZOJTUTZKYOFQ-OPRDCNLKSA-N -1 0 320.367 -0.601 20 0 DBADRM CO[C@H](CS(=O)(=O)NC[C@@H](O)C(=O)[O-])c1ccccc1 ZINC000566489847 332452311 /nfs/dbraw/zinc/45/23/11/332452311.db2.gz BPEJLAONCVSPPV-GHMZBOCLSA-N -1 0 303.336 -0.261 20 0 DBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2cn(C)nc2C)C1 ZINC000569966434 332697681 /nfs/dbraw/zinc/69/76/81/332697681.db2.gz ARLKRVCURBNDAP-VHSXEESVSA-N -1 0 317.367 -0.019 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCOCC3(CCC3)C2)C1 ZINC000570077555 332709789 /nfs/dbraw/zinc/70/97/89/332709789.db2.gz APFGDENNWGAIPI-NSHDSACASA-N -1 0 310.350 -0.051 20 0 DBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2ccn(C)n2)C1 ZINC000570276146 332733302 /nfs/dbraw/zinc/73/33/02/332733302.db2.gz CVTWCMLLZAYUHN-RKDXNWHRSA-N -1 0 303.340 -0.327 20 0 DBADRM CN(CC1CC1)S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000570349981 332743292 /nfs/dbraw/zinc/74/32/92/332743292.db2.gz WNDACMMDVDQUTA-UHFFFAOYSA-N -1 0 303.344 -0.848 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCO1 ZINC000567797201 333252227 /nfs/dbraw/zinc/25/22/27/333252227.db2.gz OCMRMMZZGHQMPT-VHSXEESVSA-N -1 0 308.356 -0.873 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2CCCOCC2)cn1 ZINC000313630974 333395175 /nfs/dbraw/zinc/39/51/75/333395175.db2.gz ZGXZPLRBHLNXGV-VIFPVBQESA-N -1 0 303.340 -0.185 20 0 DBADRM CC(=O)NCCN(C(=O)c1c[nH]cc(C)c1=O)[C@H](C)C(=O)[O-] ZINC000571208220 333684008 /nfs/dbraw/zinc/68/40/08/333684008.db2.gz KZEKGKUJDQGWIX-SECBINFHSA-N -1 0 309.322 -0.265 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)cn1 ZINC000571407482 333785784 /nfs/dbraw/zinc/78/57/84/333785784.db2.gz AOSUXRVOFVKRNP-KWQFWETISA-N -1 0 316.335 -0.142 20 0 DBADRM C[C@]1(NS(=O)(=O)c2cc(C(=O)[O-])co2)CCS(=O)(=O)C1 ZINC000583562774 335729629 /nfs/dbraw/zinc/72/96/29/335729629.db2.gz LLNPWIZSPHSUKX-JTQLQIEISA-N -1 0 323.348 -0.167 20 0 DBADRM Cc1cccc(CNC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)n1 ZINC000583663994 336035081 /nfs/dbraw/zinc/03/50/81/336035081.db2.gz DUTLOHMAIIWHFZ-NSHDSACASA-N -1 0 303.322 -0.164 20 0 DBADRM COC(C)(C)CS(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000584354375 336077221 /nfs/dbraw/zinc/07/72/21/336077221.db2.gz LKBCOAYDYWSKQB-SNVBAGLBSA-N -1 0 319.383 -0.011 20 0 DBADRM CC(C)C(=O)NCCCNC(=O)C(=O)NCCCC(=O)[O-] ZINC000571682163 336397037 /nfs/dbraw/zinc/39/70/37/336397037.db2.gz KCIUFYOVQOVUGB-UHFFFAOYSA-N -1 0 301.343 -0.754 20 0 DBADRM O=C([O-])[C@H]1CN(c2ccc3nccnc3n2)CCS1(=O)=O ZINC000567261697 336398681 /nfs/dbraw/zinc/39/86/81/336398681.db2.gz GCUJJQOZICTWCO-SECBINFHSA-N -1 0 308.319 -0.287 20 0 DBADRM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)NCc2nnc3n2CCCC3)C1 ZINC000582278787 336877631 /nfs/dbraw/zinc/87/76/31/336877631.db2.gz IOEBGMOATKZNHU-VHSXEESVSA-N -1 0 323.353 -0.002 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N[C@H]2CC(=O)N(C)C2=O)c1 ZINC000582310391 336912351 /nfs/dbraw/zinc/91/23/51/336912351.db2.gz HIYZLOXRLPYZQW-SAHAZLINSA-N -1 0 324.358 -0.324 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N[C@@H]2CC(=O)N(C)C2=O)c1 ZINC000582310390 336912396 /nfs/dbraw/zinc/91/23/96/336912396.db2.gz HIYZLOXRLPYZQW-RKFFSXRUSA-N -1 0 324.358 -0.324 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000390283209 336935988 /nfs/dbraw/zinc/93/59/88/336935988.db2.gz UOSXQTAVJQIGHB-SNVBAGLBSA-N -1 0 321.399 -0.178 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCc2cn(C)cn2)C[C@H]1C(=O)[O-] ZINC000582360565 336942782 /nfs/dbraw/zinc/94/27/82/336942782.db2.gz UAXNCGCJTNSWMG-CMPLNLGQSA-N -1 0 322.365 -0.352 20 0 DBADRM CNC(=O)c1cccc(CCC(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000583693170 337011625 /nfs/dbraw/zinc/01/16/25/337011625.db2.gz BZOSGKLHLNDEQG-HNNXBMFYSA-N -1 0 308.334 -0.069 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)CCc1cccs1 ZINC000582458231 337078328 /nfs/dbraw/zinc/07/83/28/337078328.db2.gz BYTCDAMFTNNBDX-UHFFFAOYSA-N -1 0 306.365 -0.589 20 0 DBADRM C[C@H]1CCCN(S(=O)(=O)NCCC(=O)NCC(=O)[O-])C1 ZINC000582466023 337093474 /nfs/dbraw/zinc/09/34/74/337093474.db2.gz FTAGYFGYBCRYBX-VIFPVBQESA-N -1 0 307.372 -0.856 20 0 DBADRM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000394293516 337113693 /nfs/dbraw/zinc/11/36/93/337113693.db2.gz PWAVWVHMTLMEOW-BDPUXZDNSA-N -1 0 306.322 -0.142 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-] ZINC000582917250 337217720 /nfs/dbraw/zinc/21/77/20/337217720.db2.gz HQUPJZBKRHGDCS-QMMMGPOBSA-N -1 0 303.292 -0.207 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)C3(C(=O)[O-])CCC3)C2=O)cn1 ZINC000583146378 337245851 /nfs/dbraw/zinc/24/58/51/337245851.db2.gz WXVHEUNDFVVFOW-SNVBAGLBSA-N -1 0 306.322 -0.104 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cn1 ZINC000583147770 337246019 /nfs/dbraw/zinc/24/60/19/337246019.db2.gz RABMKGMKCIZAGN-GIGQVBGESA-N -1 0 318.376 -0.404 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)c1 ZINC000583138703 337248486 /nfs/dbraw/zinc/24/84/86/337248486.db2.gz GFCDYRAHKKMHLQ-NSHDSACASA-N -1 0 303.340 -0.185 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1)C1CC1 ZINC000583202206 337268845 /nfs/dbraw/zinc/26/88/45/337268845.db2.gz SWVQYIHLTBTZHU-MNOVXSKESA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@@H](C(=O)N1CCC(C)CC1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000583325771 337316215 /nfs/dbraw/zinc/31/62/15/337316215.db2.gz YKJVRZWRTGGOQU-LBPRGKRZSA-N -1 0 311.382 -0.138 20 0 DBADRM C[C@H]1CCN(C(=O)N2CCS(=O)(=O)CC2)C[C@H]1C(=O)[O-] ZINC000583812830 337337384 /nfs/dbraw/zinc/33/73/84/337337384.db2.gz WIHBLYMTJKZHJW-VHSXEESVSA-N -1 0 304.368 -0.121 20 0 DBADRM CC[C@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC000035410768 337343486 /nfs/dbraw/zinc/34/34/86/337343486.db2.gz NBXAJWWEUOPQSB-VIFPVBQESA-N -1 0 308.356 -0.431 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](CC)C(=O)[O-])CC1 ZINC000035410772 337343494 /nfs/dbraw/zinc/34/34/94/337343494.db2.gz PMBMTWOWPDXHHM-JTQLQIEISA-N -1 0 322.383 -0.041 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)C[C@@H]1CCCCO1 ZINC000584509101 337351624 /nfs/dbraw/zinc/35/16/24/337351624.db2.gz OKIXDWKUQYEJTR-VIFPVBQESA-N -1 0 308.356 -0.934 20 0 DBADRM CCn1cnc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)c1 ZINC000584540670 337359639 /nfs/dbraw/zinc/35/96/39/337359639.db2.gz HQZRMVFVNZQBJM-KOLCDFICSA-N -1 0 317.367 -0.251 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000036904763 337360837 /nfs/dbraw/zinc/36/08/37/337360837.db2.gz RHSMVRDWOKQSDD-ZETCQYMHSA-N -1 0 308.262 -0.428 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])C1 ZINC000036983408 337361595 /nfs/dbraw/zinc/36/15/95/337361595.db2.gz NPEDXCBILXFEQV-YIZRAAEISA-N -1 0 307.372 -0.873 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000037270993 337362455 /nfs/dbraw/zinc/36/24/55/337362455.db2.gz RHSWUYSNNZLKDR-UHFFFAOYSA-N -1 0 316.335 -0.240 20 0 DBADRM O=C([O-])[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000584564363 337363068 /nfs/dbraw/zinc/36/30/68/337363068.db2.gz MSVFVEHELFOBOY-MWLCHTKSSA-N -1 0 300.336 -0.072 20 0 DBADRM COc1ccc(OC)c(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000037405912 337363468 /nfs/dbraw/zinc/36/34/68/337363468.db2.gz OYCMGEQDDUQYBU-HQJQHLMTSA-N -1 0 319.335 -0.184 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C)C(=O)[O-])C1 ZINC000037465346 337364078 /nfs/dbraw/zinc/36/40/78/337364078.db2.gz LEBPFIAOSXFPHF-DTWKUNHWSA-N -1 0 308.356 -0.431 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](C)C(=O)[O-])C1 ZINC000037465348 337364138 /nfs/dbraw/zinc/36/41/38/337364138.db2.gz LEBPFIAOSXFPHF-IUCAKERBSA-N -1 0 308.356 -0.431 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000037374761 337364921 /nfs/dbraw/zinc/36/49/21/337364921.db2.gz RHYWCPNXACGLGX-ZETCQYMHSA-N -1 0 308.262 -0.428 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2nnnc2-c2ccsc2)CCO1 ZINC000584599451 337370717 /nfs/dbraw/zinc/37/07/17/337370717.db2.gz YSNQVQRUTZKVTN-VIFPVBQESA-N -1 0 323.334 -0.286 20 0 DBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)NC[C@@H]2COCCO2)C1 ZINC000038061248 337373842 /nfs/dbraw/zinc/37/38/42/337373842.db2.gz CCBDEKSPRZQRHP-VHSXEESVSA-N -1 0 308.356 -0.967 20 0 DBADRM COC[C@H](NC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000571979943 337585066 /nfs/dbraw/zinc/58/50/66/337585066.db2.gz SYFOUXDUDQHHMB-UTLUCORTSA-N -1 0 322.383 -0.259 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCCNC(=O)C2CC2)c1 ZINC000572001000 337586024 /nfs/dbraw/zinc/58/60/24/337586024.db2.gz ZYNXJZZDXRATKK-UHFFFAOYSA-N -1 0 319.317 -0.034 20 0 DBADRM Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000572223654 337598270 /nfs/dbraw/zinc/59/82/70/337598270.db2.gz DEFICBCYLPFMRD-KCJUWKMLSA-N -1 0 320.309 -0.074 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)O1 ZINC000572242313 337599906 /nfs/dbraw/zinc/59/99/06/337599906.db2.gz CMVOLHORDNVRFL-LMLFDSFASA-N -1 0 314.338 -0.629 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)O1 ZINC000572242314 337599972 /nfs/dbraw/zinc/59/99/72/337599972.db2.gz CMVOLHORDNVRFL-UKKRHICBSA-N -1 0 314.338 -0.629 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000572243052 337599991 /nfs/dbraw/zinc/59/99/91/337599991.db2.gz JRMSRNWKSGUZSE-SNVBAGLBSA-N -1 0 323.305 -0.531 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000572285045 337604858 /nfs/dbraw/zinc/60/48/58/337604858.db2.gz SJKDAXRVBMBYCS-VHSXEESVSA-N -1 0 311.382 -0.249 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000572286086 337604862 /nfs/dbraw/zinc/60/48/62/337604862.db2.gz SGKMLIFWQUQLJY-GARJFASQSA-N -1 0 300.355 -0.215 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000572398978 337632075 /nfs/dbraw/zinc/63/20/75/337632075.db2.gz LLPMEVVMUNLWTN-UHFFFAOYSA-N -1 0 316.401 -0.996 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000572479759 338140838 /nfs/dbraw/zinc/14/08/38/338140838.db2.gz IOJAEAFEGBUFGQ-ZETCQYMHSA-N -1 0 322.364 -0.509 20 0 DBADRM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000572479758 338140871 /nfs/dbraw/zinc/14/08/71/338140871.db2.gz IOJAEAFEGBUFGQ-SSDOTTSWSA-N -1 0 322.364 -0.509 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-])c1 ZINC000547558313 341222088 /nfs/dbraw/zinc/22/20/88/341222088.db2.gz WTUITSXWDXHHII-JTQLQIEISA-N -1 0 315.355 -0.675 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCN(c2cccnn2)CC1 ZINC000566066212 341546858 /nfs/dbraw/zinc/54/68/58/341546858.db2.gz GYHUTUUEQUXGSJ-UHFFFAOYSA-N -1 0 314.367 -0.207 20 0 DBADRM COC(=O)CC1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC000566620765 341563363 /nfs/dbraw/zinc/56/33/63/341563363.db2.gz VOHQALVWMRPIMA-UHFFFAOYSA-N -1 0 314.338 -0.231 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)ccc1C(=O)[O-] ZINC000566732087 341566555 /nfs/dbraw/zinc/56/65/55/341566555.db2.gz ZZCOLTNBRLCMTB-VIFPVBQESA-N -1 0 319.317 -0.021 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC000566887990 341570930 /nfs/dbraw/zinc/57/09/30/341570930.db2.gz QSYGTBGGMAYZET-UFBFGSQYSA-N -1 0 305.352 -0.078 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NCc1cc(C(=O)[O-])co1 ZINC000567239691 341590677 /nfs/dbraw/zinc/59/06/77/341590677.db2.gz YHQABYFMKZIEGZ-ZETCQYMHSA-N -1 0 304.324 -0.126 20 0 DBADRM CC[C@H](C)C[C@H](NC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC000567504194 341611017 /nfs/dbraw/zinc/61/10/17/341611017.db2.gz FQSLZDGIXIOPTD-UWVGGRQHSA-N -1 0 321.337 -0.103 20 0 DBADRM C[C@H](COC1CCCC1)CS(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000567754228 341631680 /nfs/dbraw/zinc/63/16/80/341631680.db2.gz VHCCTUSMOIWRAK-MWLCHTKSSA-N -1 0 309.384 -0.053 20 0 DBADRM C[C@@](NS(=O)(=O)CCCS(C)(=O)=O)(C(=O)[O-])C1CC1 ZINC000567800611 341634014 /nfs/dbraw/zinc/63/40/14/341634014.db2.gz YMEYCLGFEQYICT-JTQLQIEISA-N -1 0 313.397 -0.406 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000567866284 341637760 /nfs/dbraw/zinc/63/77/60/341637760.db2.gz SFACXTVXAAPTAD-NXEZZACHSA-N -1 0 313.354 -0.850 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2=O)C1 ZINC000567881303 341638362 /nfs/dbraw/zinc/63/83/62/341638362.db2.gz VYKFBQDHBAGWPQ-SNVBAGLBSA-N -1 0 311.338 -0.809 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000567888104 341638795 /nfs/dbraw/zinc/63/87/95/341638795.db2.gz YSQZMRPOHIRPRC-NXEZZACHSA-N -1 0 311.338 -0.763 20 0 DBADRM CC[C@@H](Sc1nc(NCCO)nc(NC(C)C)n1)C(=O)[O-] ZINC000567980990 341643768 /nfs/dbraw/zinc/64/37/68/341643768.db2.gz WMPCXPNXYZQHJH-MRVPVSSYSA-N -1 0 315.399 -0.105 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(OC)nc1 ZINC000568002572 341645003 /nfs/dbraw/zinc/64/50/03/341645003.db2.gz GFKQFNKEBHBMJN-VIFPVBQESA-N -1 0 304.324 -0.190 20 0 DBADRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CC(=O)N(C)C2=O)cc1C#N ZINC000568218158 341659232 /nfs/dbraw/zinc/65/92/32/341659232.db2.gz IRJQDQMIGHQDAD-MRVPVSSYSA-N -1 0 320.330 -0.132 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1)C(=O)[O-] ZINC000158609833 341660248 /nfs/dbraw/zinc/66/02/48/341660248.db2.gz WARKNVWTXVENLI-SNVBAGLBSA-N -1 0 317.319 -0.149 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000568344281 341666535 /nfs/dbraw/zinc/66/65/35/341666535.db2.gz VANRNERKFPXRKB-SNVBAGLBSA-N -1 0 304.372 -0.032 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC000568415389 341670710 /nfs/dbraw/zinc/67/07/10/341670710.db2.gz RMAUFMOUQJWMAX-ZWNOBZJWSA-N -1 0 319.379 -0.097 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)CCOC(C)C)C(=O)[O-] ZINC000168814319 341752399 /nfs/dbraw/zinc/75/23/99/341752399.db2.gz QNYYRRUXZHXIKQ-VIFPVBQESA-N -1 0 311.356 -0.263 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)CCOC(C)C)C(=O)[O-] ZINC000168814412 341752493 /nfs/dbraw/zinc/75/24/93/341752493.db2.gz QNYYRRUXZHXIKQ-SECBINFHSA-N -1 0 311.356 -0.263 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)C[C@H]1CCCO1)C(=O)[O-] ZINC000168825351 341752587 /nfs/dbraw/zinc/75/25/87/341752587.db2.gz AUKXUGCDGAXADZ-RKDXNWHRSA-N -1 0 309.340 -0.509 20 0 DBADRM Cc1ccc(CS(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c(F)c1 ZINC000574524009 341761233 /nfs/dbraw/zinc/76/12/33/341761233.db2.gz XSILRNXVRBRUKU-JTQLQIEISA-N -1 0 318.326 -0.118 20 0 DBADRM O=C(NCC(F)F)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000574811015 341769714 /nfs/dbraw/zinc/76/97/14/341769714.db2.gz FUPBCHMCNIQUAJ-LURJTMIESA-N -1 0 303.269 -0.402 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000575312513 341791953 /nfs/dbraw/zinc/79/19/53/341791953.db2.gz UZXGQKYOKGNUAT-QJPTWQEYSA-N -1 0 322.365 -0.043 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000576226625 341834847 /nfs/dbraw/zinc/83/48/47/341834847.db2.gz OCQUVSANGAFZEW-NXEZZACHSA-N -1 0 323.353 -0.451 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)C(=O)[O-])cn1 ZINC000577109630 341886683 /nfs/dbraw/zinc/88/66/83/341886683.db2.gz KARBZNBWIKQLSF-SSDOTTSWSA-N -1 0 301.324 -0.465 20 0 DBADRM Cn1[n-]nnc1=N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000577242314 341899784 /nfs/dbraw/zinc/89/97/84/341899784.db2.gz AVGDKGFGEVEOCN-JTQLQIEISA-N -1 0 308.367 -0.493 20 0 DBADRM CCC[C@H](CNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000577454365 341910443 /nfs/dbraw/zinc/91/04/43/341910443.db2.gz HGEKPVQLVLVDKS-SECBINFHSA-N -1 0 315.413 -0.159 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000577607369 341922889 /nfs/dbraw/zinc/92/28/89/341922889.db2.gz MJNOHBBHBREEFE-SNVBAGLBSA-N -1 0 305.381 -0.033 20 0 DBADRM CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC000577638385 341926378 /nfs/dbraw/zinc/92/63/78/341926378.db2.gz UMTHTZFKGKNFHC-VIFPVBQESA-N -1 0 304.368 -0.220 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-] ZINC000577735751 341932896 /nfs/dbraw/zinc/93/28/96/341932896.db2.gz QMRUUTPSKYOWKN-MRVPVSSYSA-N -1 0 318.307 -0.615 20 0 DBADRM O=C(CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)NC1CCOCC1 ZINC000577776168 341936396 /nfs/dbraw/zinc/93/63/96/341936396.db2.gz KQHOFJOXTCAYRJ-JTQLQIEISA-N -1 0 309.370 -0.015 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1C ZINC000577887051 341946752 /nfs/dbraw/zinc/94/67/52/341946752.db2.gz BLVKCSLDGBUYBM-SECBINFHSA-N -1 0 317.319 -0.495 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000250662261 521128416 /nfs/dbraw/zinc/12/84/16/521128416.db2.gz GBXARCDOUZTMLE-UWVGGRQHSA-N -1 0 322.383 -0.089 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)CCOC(C)(C)C ZINC000496892604 534070505 /nfs/dbraw/zinc/07/05/05/534070505.db2.gz KPPCSMYIQBGSSM-UHFFFAOYSA-N -1 0 310.372 -0.006 20 0 DBADRM CC(=O)NCCN(C(=O)COc1cccnc1)[C@H](C)C(=O)[O-] ZINC000262238298 519661524 /nfs/dbraw/zinc/66/15/24/519661524.db2.gz OMAGCWRODTZWQJ-SNVBAGLBSA-N -1 0 309.322 -0.102 20 0 DBADRM CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262517127 519798618 /nfs/dbraw/zinc/79/86/18/519798618.db2.gz NAULKGFSFNSXQI-QMTHXVAHSA-N -1 0 312.322 -0.014 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)NC(C)(C)CCC(=O)[O-] ZINC000262867105 520051208 /nfs/dbraw/zinc/05/12/08/520051208.db2.gz IIHXUNYDRYOEBO-UHFFFAOYSA-N -1 0 324.399 -0.298 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cccc(-n2cncn2)c1 ZINC000447633526 534501375 /nfs/dbraw/zinc/50/13/75/534501375.db2.gz BCBBRPJBKCDOHH-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1sccc1-n1cnnn1 ZINC000447631591 534502778 /nfs/dbraw/zinc/50/27/78/534502778.db2.gz YAYKEJPXCANNHS-UHFFFAOYSA-N -1 0 307.295 -0.627 20 0 DBADRM Cc1ccc2ncc(C(=O)NCCc3nc(=O)o[n-]3)c(=O)n2c1 ZINC000447638302 534512366 /nfs/dbraw/zinc/51/23/66/534512366.db2.gz XTARKPQFTSCFKB-UHFFFAOYSA-N -1 0 315.289 -0.348 20 0 DBADRM CCC[C@@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)c1nnn[n-]1 ZINC000343713281 520731915 /nfs/dbraw/zinc/73/19/15/520731915.db2.gz BKXWUWVGPZDUPA-SSDOTTSWSA-N -1 0 309.330 -0.513 20 0 DBADRM CCC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)c1nnn[n-]1 ZINC000343767116 520754433 /nfs/dbraw/zinc/75/44/33/520754433.db2.gz QDSNCEZCZODSFC-ZCFIWIBFSA-N -1 0 314.327 -0.289 20 0 DBADRM CCC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(N)=O ZINC000336843332 520785581 /nfs/dbraw/zinc/78/55/81/520785581.db2.gz WMWANUVNLFNTKM-ZCFIWIBFSA-N -1 0 321.380 -0.138 20 0 DBADRM CCOC(=O)N[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000267689539 520989900 /nfs/dbraw/zinc/98/99/00/520989900.db2.gz NYDAQMVMHRWSEQ-SECBINFHSA-N -1 0 324.337 -0.163 20 0 DBADRM CCC[C@H](NC(=O)CN(C)CC(=O)NC(C)C)c1nnn[n-]1 ZINC000343766120 521124813 /nfs/dbraw/zinc/12/48/13/521124813.db2.gz OXVWLDYOVZWHPP-JTQLQIEISA-N -1 0 311.390 -0.387 20 0 DBADRM CCC[C@H](NC(=O)CN(C)S(=O)(=O)CC)c1nnn[n-]1 ZINC000343711857 521125516 /nfs/dbraw/zinc/12/55/16/521125516.db2.gz ANAIYHLXLQFNHM-QMMMGPOBSA-N -1 0 304.376 -0.561 20 0 DBADRM CCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3nnn[n-]3)cnc21 ZINC000346341531 521619262 /nfs/dbraw/zinc/61/92/62/521619262.db2.gz FRESUUGXMRFXSU-UHFFFAOYSA-N -1 0 316.281 -0.328 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000262500518 521663408 /nfs/dbraw/zinc/66/34/08/521663408.db2.gz IEWKMMSBLOMXNT-NXEZZACHSA-N -1 0 306.384 -0.115 20 0 DBADRM CCS(=O)(=O)NCCN1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000330859381 521677611 /nfs/dbraw/zinc/67/76/11/521677611.db2.gz UEEDCRBJHCNVIY-VIFPVBQESA-N -1 0 303.388 -0.023 20 0 DBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)[O-] ZINC000037434536 521683117 /nfs/dbraw/zinc/68/31/17/521683117.db2.gz XSOSPRWLJASNSI-YUMQZZPRSA-N -1 0 312.413 -0.363 20 0 DBADRM CCS(=O)(=O)[N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000332426617 521683138 /nfs/dbraw/zinc/68/31/38/521683138.db2.gz AFJDXVHTVWLMGU-LURJTMIESA-N -1 0 312.335 -0.252 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc(C(=O)[O-])co1 ZINC000352406954 521749480 /nfs/dbraw/zinc/74/94/80/521749480.db2.gz FYDLBNOCAHUVJI-SECBINFHSA-N -1 0 323.305 -0.555 20 0 DBADRM COCCS(=O)(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000042808144 521766697 /nfs/dbraw/zinc/76/66/97/521766697.db2.gz CTJYIWFSJPDRIT-LLVKDONJSA-N -1 0 303.336 -0.046 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])cn1C ZINC000054053870 521787115 /nfs/dbraw/zinc/78/71/15/521787115.db2.gz JIGBGCPTAYYZIL-ZETCQYMHSA-N -1 0 303.340 -0.522 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])cn1 ZINC000262910110 521798250 /nfs/dbraw/zinc/79/82/50/521798250.db2.gz HHUUCUHHTYHZBZ-MWLCHTKSSA-N -1 0 307.306 -0.245 20 0 DBADRM COCC[C@H](CO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000343949748 521929353 /nfs/dbraw/zinc/92/93/53/521929353.db2.gz PIPDARHBXBRWPR-MRVPVSSYSA-N -1 0 308.294 -0.437 20 0 DBADRM CNS(=O)(=O)CCCN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344084199 522187662 /nfs/dbraw/zinc/18/76/62/522187662.db2.gz GFKOIEXHMFVFTM-SECBINFHSA-N -1 0 303.388 -0.371 20 0 DBADRM CC[C@H](O)CN1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000267585056 522815445 /nfs/dbraw/zinc/81/54/45/522815445.db2.gz JYOREYNUHNJORE-JTQLQIEISA-N -1 0 310.354 -0.985 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NCCc2nc(=O)o[n-]2)CCC1 ZINC000360189308 522831245 /nfs/dbraw/zinc/83/12/45/522831245.db2.gz PMBZWCPEXKBERE-UHFFFAOYSA-N -1 0 319.339 -0.832 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CSCN1C(C)=O ZINC000330691708 522874720 /nfs/dbraw/zinc/87/47/20/522874720.db2.gz ZGMWORXJUXEBOQ-CABZTGNLSA-N -1 0 304.368 -0.096 20 0 DBADRM COC[C@](C)(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000262066406 522883020 /nfs/dbraw/zinc/88/30/20/522883020.db2.gz HURGCYCWBCYQPC-AWEZNQCLSA-N -1 0 319.321 -0.189 20 0 DBADRM CC[C@H]1C(=O)N(CC)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000331130433 522981216 /nfs/dbraw/zinc/98/12/16/522981216.db2.gz CRXZJXXAXJJKKS-JTQLQIEISA-N -1 0 308.338 -0.431 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000168820726 523114132 /nfs/dbraw/zinc/11/41/32/523114132.db2.gz PJVQTLRRTNSXAC-SECBINFHSA-N -1 0 302.308 -0.234 20 0 DBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCO1)C(=O)OC ZINC000344968575 523278628 /nfs/dbraw/zinc/27/86/28/523278628.db2.gz SRUFQVURYSPTHE-VHSXEESVSA-N -1 0 323.367 -0.420 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CCn1nc2ccccn2c1=O ZINC000262454533 523658567 /nfs/dbraw/zinc/65/85/67/523658567.db2.gz XBAZNHZOCWNUSW-UHFFFAOYSA-N -1 0 322.321 -0.554 20 0 DBADRM COCCN1CCN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC000267542128 523851859 /nfs/dbraw/zinc/85/18/59/523851859.db2.gz AILPTUJNRHHSHJ-SNVBAGLBSA-N -1 0 310.354 -0.721 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)c2ncccc2[O-])cn1 ZINC000266458335 523901868 /nfs/dbraw/zinc/90/18/68/523901868.db2.gz DCYYGYDKZOIWQZ-UHFFFAOYSA-N -1 0 319.321 -0.001 20 0 DBADRM CO[C@H](C)c1nc(=NCCNS(=O)(=O)NC(C)C)s[n-]1 ZINC000337934610 523906842 /nfs/dbraw/zinc/90/68/42/523906842.db2.gz FSNGDQXWLRPGAZ-MRVPVSSYSA-N -1 0 323.444 -0.088 20 0 DBADRM CO[C@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)[O-] ZINC000227277514 523948790 /nfs/dbraw/zinc/94/87/90/523948790.db2.gz PELKGRSXTROLCK-MRVPVSSYSA-N -1 0 320.323 -0.641 20 0 DBADRM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000267602291 524016654 /nfs/dbraw/zinc/01/66/54/524016654.db2.gz NBFMHXSKUSGDGQ-UWVGGRQHSA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@@H]1CCCCN1C(=O)CN1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000333612501 524090204 /nfs/dbraw/zinc/09/02/04/524090204.db2.gz SEXFSJILSARWAD-ZJUUUORDSA-N -1 0 323.353 -0.347 20 0 DBADRM Cc1cc(C(=O)N[C@@H](C)C(=O)N(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000265876178 524116136 /nfs/dbraw/zinc/11/61/36/524116136.db2.gz ZRRXAPNCXHTWFW-ZETCQYMHSA-N -1 0 319.321 -0.049 20 0 DBADRM Cc1cc(C(=O)[O-])cc(C(=O)NCCNS(C)(=O)=O)c1 ZINC000263343758 524190864 /nfs/dbraw/zinc/19/08/64/524190864.db2.gz SRYXYZHWULPAEP-UHFFFAOYSA-N -1 0 300.336 -0.028 20 0 DBADRM Cc1cccc(C)c1CS(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000297068465 524263111 /nfs/dbraw/zinc/26/31/11/524263111.db2.gz WSXRUALVPSAIBJ-UHFFFAOYSA-N -1 0 314.363 -0.076 20 0 DBADRM COc1cncc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1 ZINC000337174230 524929260 /nfs/dbraw/zinc/92/92/60/524929260.db2.gz HTJBFUNJGHGYTQ-UHFFFAOYSA-N -1 0 311.323 -0.427 20 0 DBADRM Cc1ccccc1CNC(=O)CS(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000350175697 525155422 /nfs/dbraw/zinc/15/54/22/525155422.db2.gz ILQXSVWCRXJVLK-UHFFFAOYSA-N -1 0 310.335 -0.091 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CCn2ccnn2)s1 ZINC000338353696 525229264 /nfs/dbraw/zinc/22/92/64/525229264.db2.gz PKEHUMZAFRHNJU-UHFFFAOYSA-N -1 0 317.356 -0.470 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)[N-]OCC(N)=O)C1 ZINC000271433908 534844331 /nfs/dbraw/zinc/84/43/31/534844331.db2.gz SBVBKXNKLHQLSL-MRVPVSSYSA-N -1 0 303.315 -0.845 20 0 DBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)nn1C ZINC000331036874 525285310 /nfs/dbraw/zinc/28/53/10/525285310.db2.gz AJRLCPNRJGLBBZ-UHFFFAOYSA-N -1 0 324.428 -0.248 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000346252668 525585116 /nfs/dbraw/zinc/58/51/16/525585116.db2.gz LSFVZGKSCDOSPA-SSDOTTSWSA-N -1 0 302.360 -0.977 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)N1CCO[C@@H](C(=O)[O-])C1)c2=O ZINC000262966103 525612962 /nfs/dbraw/zinc/61/29/62/525612962.db2.gz KWHJGWWFOVEAKC-LLVKDONJSA-N -1 0 317.301 -0.071 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC000331046716 525752324 /nfs/dbraw/zinc/75/23/24/525752324.db2.gz GQIBPCLWFDDNAV-IUCAKERBSA-N -1 0 315.399 -0.484 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000037328345 525857581 /nfs/dbraw/zinc/85/75/81/525857581.db2.gz RYIOLMLVQDDIJC-HQJQHLMTSA-N -1 0 317.319 -0.430 20 0 DBADRM Cc1ccc(-c2nnn(CC(=O)NC[C@](C)(O)C(=O)[O-])n2)cc1 ZINC000262384081 525867553 /nfs/dbraw/zinc/86/75/53/525867553.db2.gz KXRVBNIXRQOAIZ-AWEZNQCLSA-N -1 0 319.321 -0.400 20 0 DBADRM Cc1ccc(-n2[n-]nnc2=NC[C@@H]2CS(=O)(=O)CCO2)cc1 ZINC000351504406 525892324 /nfs/dbraw/zinc/89/23/24/525892324.db2.gz JKAMWYIGWRJKTH-GFCCVEGCSA-N -1 0 323.378 -0.382 20 0 DBADRM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000331134683 526017655 /nfs/dbraw/zinc/01/76/55/526017655.db2.gz PRALPOPOCNXMOW-MRVPVSSYSA-N -1 0 310.354 -0.139 20 0 DBADRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)N1CCCC1=O ZINC000408384218 534906046 /nfs/dbraw/zinc/90/60/46/534906046.db2.gz ISINGVJNSGTDFP-ZYHUDNBSSA-N -1 0 318.395 -0.132 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000263567689 526177525 /nfs/dbraw/zinc/17/75/25/526177525.db2.gz XRBCWHHMGPIYEH-VIFPVBQESA-N -1 0 300.336 -0.198 20 0 DBADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000261714425 526180439 /nfs/dbraw/zinc/18/04/39/526180439.db2.gz PYXWZCHSCCKBLK-RKDXNWHRSA-N -1 0 303.340 -0.062 20 0 DBADRM Cc1ccc2ncc(C(=O)NC[C@](C)(O)C(=O)[O-])c(=O)n2c1 ZINC000262335850 526257461 /nfs/dbraw/zinc/25/74/61/526257461.db2.gz BTZANWLLRBLJCP-AWEZNQCLSA-N -1 0 305.290 -0.432 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CCn2nc3ccccn3c2=O)CCO1 ZINC000262905069 526284219 /nfs/dbraw/zinc/28/42/19/526284219.db2.gz BXPAEYUZKGYQOV-JTQLQIEISA-N -1 0 320.305 -0.802 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@H]2CCCO2)CCS1(=O)=O ZINC000333651796 526284822 /nfs/dbraw/zinc/28/48/22/526284822.db2.gz ZCGAEMOBBKZUER-BDAKNGLRSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)CCC1CCOCC1 ZINC000333565229 526292096 /nfs/dbraw/zinc/29/20/96/526292096.db2.gz LOJVCPBGVLCIHS-JTQLQIEISA-N -1 0 324.337 -0.014 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CSCC(=O)N2CCOCC2)C1 ZINC000062117880 526325808 /nfs/dbraw/zinc/32/58/08/526325808.db2.gz CRSPNSZMMLCSCR-JTQLQIEISA-N -1 0 316.379 -0.489 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2CCCOC2)CCS1(=O)=O ZINC000333363056 526332261 /nfs/dbraw/zinc/33/22/61/526332261.db2.gz DEUHCUWOKOBOCJ-RKDXNWHRSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccccc2-n2cnnn2)CCO1 ZINC000262938292 526332289 /nfs/dbraw/zinc/33/22/89/526332289.db2.gz HHJGPSBTLDRMPN-LLVKDONJSA-N -1 0 303.278 -0.412 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000262615076 526334548 /nfs/dbraw/zinc/33/45/48/526334548.db2.gz LSORRBZXRFKWDJ-RYUDHWBXSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2cccc(-n3cnnn3)c2)CCOC1 ZINC000262159772 526338513 /nfs/dbraw/zinc/33/85/13/526338513.db2.gz VAXISIROXXDGHE-ZDUSSCGKSA-N -1 0 303.278 -0.364 20 0 DBADRM CC(=O)NCc1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000447633304 526802992 /nfs/dbraw/zinc/80/29/92/526802992.db2.gz XMJNWUDSHWILNK-UHFFFAOYSA-N -1 0 304.306 -0.029 20 0 DBADRM O=C(CNC(=O)c1ccc(F)cc1F)NCc1n[nH]c(=O)[n-]1 ZINC000347718528 526856242 /nfs/dbraw/zinc/85/62/42/526856242.db2.gz ADHLFKPHSOXNTJ-UHFFFAOYSA-N -1 0 311.248 -0.165 20 0 DBADRM NC(=O)COc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000261851176 526891019 /nfs/dbraw/zinc/89/10/19/526891019.db2.gz ZZNGHZQRHNIQOZ-GFCCVEGCSA-N -1 0 322.317 -0.134 20 0 DBADRM O=C(COCCNC(=O)c1ccccc1)NCc1n[nH]c(=O)[n-]1 ZINC000344990593 526929993 /nfs/dbraw/zinc/92/99/93/526929993.db2.gz HBXLBOYHFZBOOC-UHFFFAOYSA-N -1 0 319.321 -0.427 20 0 DBADRM Cn1c2ccccc2n(CC(=O)N2CCO[C@H](C(=O)[O-])C2)c1=O ZINC000262407876 527110692 /nfs/dbraw/zinc/11/06/92/527110692.db2.gz NLWFPOJFMAYLIA-LBPRGKRZSA-N -1 0 319.317 -0.348 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@H]1CCCC(=O)N1 ZINC000333091840 527153052 /nfs/dbraw/zinc/15/30/52/527153052.db2.gz OGPWULXMYMUXNK-SNVBAGLBSA-N -1 0 302.294 -0.025 20 0 DBADRM Cn1cc(CC(=O)Nc2nnc([N-]S(C)(=O)=O)s2)cn1 ZINC000338101091 527181218 /nfs/dbraw/zinc/18/12/18/527181218.db2.gz OVNLUBMPAYYTMA-UHFFFAOYSA-N -1 0 316.368 -0.176 20 0 DBADRM O=S1(=O)[N-]C(CN(CCO)CCCO)=Nc2ccccc21 ZINC000346389307 527317112 /nfs/dbraw/zinc/31/71/12/527317112.db2.gz TXEKSBLQZCFJQW-UHFFFAOYSA-N -1 0 313.379 -0.315 20 0 DBADRM O=S1(=O)[N-]C(CN2CCO[C@H](CO)C2)=Nc2ccccc21 ZINC000332483117 527317263 /nfs/dbraw/zinc/31/72/63/527317263.db2.gz ABAWQPNPJYLKNR-JTQLQIEISA-N -1 0 311.363 -0.298 20 0 DBADRM O=C(N1CCO[C@@H](c2nnn[n-]2)C1)C(F)(F)C1(O)CCC1 ZINC000372834831 527443592 /nfs/dbraw/zinc/44/35/92/527443592.db2.gz CPHISWOHJQHNSR-SSDOTTSWSA-N -1 0 303.269 -0.350 20 0 DBADRM O=c1nc(CCNS(=O)(=O)CCOCC(F)(F)F)[n-]o1 ZINC000352877692 527496008 /nfs/dbraw/zinc/49/60/08/527496008.db2.gz CAKBGQVMZVMLGX-UHFFFAOYSA-N -1 0 319.261 -0.596 20 0 DBADRM O=c1nc(CCNS(=O)(=O)c2cccc3c2OCO3)[n-]o1 ZINC000352919731 527496494 /nfs/dbraw/zinc/49/64/94/527496494.db2.gz XVQKBAVVQTYPTB-UHFFFAOYSA-N -1 0 313.291 -0.387 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c2=O ZINC000347502528 527585282 /nfs/dbraw/zinc/58/52/82/527585282.db2.gz RUZRZKCEBNJMQD-CQSZACIVSA-N -1 0 319.321 -0.547 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@H](C(=O)[O-])O[C@@H](C)C1 ZINC000347516285 527604803 /nfs/dbraw/zinc/60/48/03/527604803.db2.gz KLCUPSSZBOQYRD-OIBJUYFYSA-N -1 0 309.322 -0.080 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cnc2ccccc2c1O ZINC000336850601 527612431 /nfs/dbraw/zinc/61/24/31/527612431.db2.gz XHKJGDGQEPKUJO-UHFFFAOYSA-N -1 0 303.274 -0.541 20 0 DBADRM O=C([O-])COCCNC(=O)CNC(=O)NC1CCCCC1 ZINC000263463640 527614222 /nfs/dbraw/zinc/61/42/22/527614222.db2.gz QMEMAUFJKDBDOB-UHFFFAOYSA-N -1 0 301.343 -0.164 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)CCN2CCCS2(=O)=O)CCO1 ZINC000262423147 527630738 /nfs/dbraw/zinc/63/07/38/527630738.db2.gz GHWMAXZPWMTMDX-SNVBAGLBSA-N -1 0 320.367 -0.886 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)[C@@H]2CCCCS2(=O)=O)n1 ZINC000262834583 527642067 /nfs/dbraw/zinc/64/20/67/527642067.db2.gz YGPVGTDHMZNIFH-QMMMGPOBSA-N -1 0 301.324 -0.127 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000345044185 527653549 /nfs/dbraw/zinc/65/35/49/527653549.db2.gz MNWLSTYTZWYJLN-UHFFFAOYSA-N -1 0 308.342 -0.012 20 0 DBADRM COCCOCCS(=O)(=O)[N-]c1n[nH]c(C)c1C(N)=O ZINC000354536298 536520294 /nfs/dbraw/zinc/52/02/94/536520294.db2.gz ANONQPCRVIJXEZ-UHFFFAOYSA-N -1 0 306.344 -0.778 20 0 DBADRM CC(C)CN1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1=O ZINC000420589696 527991353 /nfs/dbraw/zinc/99/13/53/527991353.db2.gz JEFZMFZSAKLNAJ-UHFFFAOYSA-N -1 0 313.354 -0.706 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCc1ccn(C)n1)C(=O)[O-] ZINC000424501820 528318216 /nfs/dbraw/zinc/31/82/16/528318216.db2.gz NDDOEBHBINIXQB-JTQLQIEISA-N -1 0 310.354 -0.101 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1CC[C@](F)(CO)C1)C(=O)[O-] ZINC000424496076 528658247 /nfs/dbraw/zinc/65/82/47/528658247.db2.gz SDZFAJQTBIOLJA-CQSZACIVSA-N -1 0 318.345 -0.074 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)C(=O)N(C)CCCC(=O)[O-])CC1=O ZINC000420547044 529091813 /nfs/dbraw/zinc/09/18/13/529091813.db2.gz NLDWCOKQKRZPFW-JTQLQIEISA-N -1 0 313.354 -0.565 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000356632361 535071395 /nfs/dbraw/zinc/07/13/95/535071395.db2.gz AMQQWZDQUIKGIW-SFYZADRCSA-N -1 0 318.399 -0.123 20 0 DBADRM CC(C)(NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1nnn[n-]1 ZINC000340733071 535217720 /nfs/dbraw/zinc/21/77/20/535217720.db2.gz FOWPMBARYHRKBU-RKDXNWHRSA-N -1 0 318.337 -0.498 20 0 DBADRM CC(C)(O)CO[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000278671193 535313326 /nfs/dbraw/zinc/31/33/26/535313326.db2.gz PTHXLKATHBHAHF-LBPRGKRZSA-N -1 0 320.349 -0.075 20 0 DBADRM CCOC(=O)[C@@H](C)[C@H](C)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000286062147 535437464 /nfs/dbraw/zinc/43/74/64/535437464.db2.gz LZCQRQLMVSQJRH-BQBZGAKWSA-N -1 0 302.356 -0.106 20 0 DBADRM CCN1CCN(CC(=O)[N-]OCCC(F)(F)F)C(=O)C1=O ZINC000275245328 535660609 /nfs/dbraw/zinc/66/06/09/535660609.db2.gz UIPDAAPUTRZLRV-UHFFFAOYSA-N -1 0 311.260 -0.323 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-] ZINC000275185419 535891289 /nfs/dbraw/zinc/89/12/89/535891289.db2.gz DYYTZGGTBYMNAS-ZETCQYMHSA-N -1 0 305.312 -0.802 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1[n-]c(SC)nc1=O)C(=O)OC ZINC000355934016 535963460 /nfs/dbraw/zinc/96/34/60/535963460.db2.gz FWLGOMNIZYLQRV-CBAPKCEASA-N -1 0 316.383 -0.003 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cnn(C)c1C)C(=O)[O-] ZINC000294292925 536312792 /nfs/dbraw/zinc/31/27/92/536312792.db2.gz HLSGKVOSHDDHLR-SSDOTTSWSA-N -1 0 305.312 -0.977 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cnc(OCC3CC3)cn2)C1=O ZINC000285915105 536313810 /nfs/dbraw/zinc/31/38/10/536313810.db2.gz WEWBISRWQKJRPW-UHFFFAOYSA-N -1 0 305.294 -0.196 20 0 DBADRM CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000340638930 536402072 /nfs/dbraw/zinc/40/20/72/536402072.db2.gz PBXFAIYQBMFJCG-ZETCQYMHSA-N -1 0 317.371 -0.704 20 0 DBADRM CN1CCO[C@H](C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)C1 ZINC000276554270 536441823 /nfs/dbraw/zinc/44/18/23/536441823.db2.gz GLWLBVGTOXTFRD-NSHDSACASA-N -1 0 304.310 -0.775 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c(C)o1 ZINC000275164905 536582811 /nfs/dbraw/zinc/58/28/11/536582811.db2.gz BBHOYHYBVPQLEW-LURJTMIESA-N -1 0 307.280 -0.902 20 0 DBADRM COc1ccc(C(=O)N2CCC[C@@H]2C(=O)[N-]OCC(N)=O)cc1 ZINC000374261507 536720174 /nfs/dbraw/zinc/72/01/74/536720174.db2.gz FKNMLKHXCOWYPD-GFCCVEGCSA-N -1 0 321.333 -0.167 20 0 DBADRM COc1c(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)c(C)nn1C ZINC000408405335 536847586 /nfs/dbraw/zinc/84/75/86/536847586.db2.gz QPNFLHCGDFCEQD-SECBINFHSA-N -1 0 317.367 -0.024 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-] ZINC000650418249 568587129 /nfs/dbraw/zinc/58/71/29/568587129.db2.gz MFPAOZOOWSYZFU-SNVBAGLBSA-N -1 0 307.328 -0.853 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H](CNC(=O)[O-])C1CCCCC1 ZINC000828572257 603592964 /nfs/dbraw/zinc/59/29/64/603592964.db2.gz BCOUIHPZSCBPPI-JTQLQIEISA-N -1 0 321.399 -0.132 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC1(C(N)=O)CCCC1 ZINC000830747547 601262311 /nfs/dbraw/zinc/26/23/11/601262311.db2.gz OGYNDOHFNORTQF-UHFFFAOYSA-N -1 0 307.372 -0.727 20 0 DBADRM CC(C)NC(=O)CNC(=S)N1CCO[C@H](CC(=O)[O-])C1 ZINC000826970757 601367690 /nfs/dbraw/zinc/36/76/90/601367690.db2.gz AHNHUVODSNNJLO-SECBINFHSA-N -1 0 303.384 -0.439 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(CN(CC(=O)[O-])C2CC2)c1 ZINC000737956825 601376398 /nfs/dbraw/zinc/37/63/98/601376398.db2.gz NUDZWPFZZBEAQZ-UHFFFAOYSA-N -1 0 302.356 -0.360 20 0 DBADRM COC(=O)C[C@@H]1CN(S(=O)(=O)CCCC(=O)[O-])CCO1 ZINC000133028835 601397163 /nfs/dbraw/zinc/39/71/63/601397163.db2.gz BOEBKKBSIWPUJF-SECBINFHSA-N -1 0 309.340 -0.555 20 0 DBADRM CC(C)(CNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC000826567818 601686499 /nfs/dbraw/zinc/68/64/99/601686499.db2.gz MGNYHRZOKRNFST-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM COCCN1CCC[C@@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC000831743643 601788342 /nfs/dbraw/zinc/78/83/42/601788342.db2.gz ADWLYOVWLVDMFM-WDEREUQCSA-N -1 0 308.400 -0.263 20 0 DBADRM CC(C)N1C(=O)C[C@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C1=O ZINC000827553337 601798679 /nfs/dbraw/zinc/79/86/79/601798679.db2.gz MVHWWBFLJYTPPU-SFYZADRCSA-N -1 0 306.340 -0.838 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCC(C)(C)CCO)n(C)c1=O ZINC000822601109 599111859 /nfs/dbraw/zinc/11/18/59/599111859.db2.gz TZUROHZWDBYRRM-UHFFFAOYSA-N -1 0 323.357 -0.915 20 0 DBADRM COCCC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739803544 602324880 /nfs/dbraw/zinc/32/48/80/602324880.db2.gz BTRPMFNMRYUGJR-SNVBAGLBSA-N -1 0 301.343 -0.355 20 0 DBADRM CCc1cnc(Cn2c(=O)c(-c3nnn[n-]3)cn(CC)c2=O)o1 ZINC000821499491 599123289 /nfs/dbraw/zinc/12/32/89/599123289.db2.gz LUVAWCJGPCXQOR-UHFFFAOYSA-N -1 0 317.309 -0.191 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)C2CCCC2)c1=O ZINC000736713698 599161198 /nfs/dbraw/zinc/16/11/98/599161198.db2.gz LUUYAUSUZCKPLR-UHFFFAOYSA-N -1 0 318.337 -0.031 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739515238 602967039 /nfs/dbraw/zinc/96/70/39/602967039.db2.gz KINXNMDARYHHJV-RKDXNWHRSA-N -1 0 307.372 -0.139 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739839114 603347048 /nfs/dbraw/zinc/34/70/48/603347048.db2.gz VCQRSNRMFZAUEM-ZJUUUORDSA-N -1 0 322.383 -0.448 20 0 DBADRM O=C([O-])C1CCN(C(=S)NCCN2CCOCC2)CC1 ZINC000243227841 596912570 /nfs/dbraw/zinc/91/25/70/596912570.db2.gz KLELYVYMTQLFAP-UHFFFAOYSA-N -1 0 301.412 -0.010 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCC(C(=O)[O-])CC2)nn1 ZINC000739596846 596927618 /nfs/dbraw/zinc/92/76/18/596927618.db2.gz NPNRSSAYQXBJJC-UHFFFAOYSA-N -1 0 309.326 -0.697 20 0 DBADRM C[C@H](OC(=O)c1ccc2c(c1)nnn2C)C(=O)NCC(=O)[O-] ZINC000736691299 599861695 /nfs/dbraw/zinc/86/16/95/599861695.db2.gz QGINVHWZNKTZPF-ZETCQYMHSA-N -1 0 306.278 -0.286 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000739742641 596955692 /nfs/dbraw/zinc/95/56/92/596955692.db2.gz KNBGOJNBJMUPAY-BXKDBHETSA-N -1 0 318.333 -0.043 20 0 DBADRM CNC(=O)CN(C)C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000739742032 596959356 /nfs/dbraw/zinc/95/93/56/596959356.db2.gz WUHJSCNQMYOOKV-LBPRGKRZSA-N -1 0 318.333 -0.090 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000819419211 596960046 /nfs/dbraw/zinc/96/00/46/596960046.db2.gz KXULUGQTFZJTIH-UHFFFAOYSA-N -1 0 318.293 -0.418 20 0 DBADRM CC(C)(CCC(=O)[O-])NC(=O)Cn1ncn2nccc2c1=O ZINC000817832296 596964554 /nfs/dbraw/zinc/96/45/54/596964554.db2.gz RTIVTOXLWGHTTQ-UHFFFAOYSA-N -1 0 307.310 -0.349 20 0 DBADRM COCCN(CC(=O)[O-])CC(=O)NC1CCN(C(C)=O)CC1 ZINC000739827043 596974639 /nfs/dbraw/zinc/97/46/39/596974639.db2.gz DKOUZQLYDYZAND-UHFFFAOYSA-N -1 0 315.370 -0.854 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000818482347 596990807 /nfs/dbraw/zinc/99/08/07/596990807.db2.gz OJSYYKNOVOVBIF-UHFFFAOYSA-N -1 0 300.359 -0.733 20 0 DBADRM COc1cc(C(=O)N(C)CCC(=O)[O-])sc1S(N)(=O)=O ZINC000818556004 597007077 /nfs/dbraw/zinc/00/70/77/597007077.db2.gz GXLNLDOKJJRSLS-UHFFFAOYSA-N -1 0 322.364 -0.049 20 0 DBADRM Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCC(=O)[O-] ZINC000740222784 597020539 /nfs/dbraw/zinc/02/05/39/597020539.db2.gz MGHIQWSYPUXBDU-UHFFFAOYSA-N -1 0 324.337 -0.539 20 0 DBADRM C[C@H](NC(=O)CN(C)[C@@H]1CCN(C(=O)[O-])C1)C(=O)N(C)C ZINC000825114281 603499152 /nfs/dbraw/zinc/49/91/52/603499152.db2.gz CDQJOIVMOAYSFL-VHSXEESVSA-N -1 0 300.359 -0.737 20 0 DBADRM COCCOc1ccc(F)cc1NC(=O)C(=O)NCC(=O)[O-] ZINC000739832274 597044480 /nfs/dbraw/zinc/04/44/80/597044480.db2.gz AOKBPLNVIBUWQD-UHFFFAOYSA-N -1 0 314.269 -0.010 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000740482790 597045312 /nfs/dbraw/zinc/04/53/12/597045312.db2.gz GUZYYYYDTLBIPE-UHFFFAOYSA-N -1 0 307.262 -0.218 20 0 DBADRM CN(CC(=O)[O-])CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000739631499 597053392 /nfs/dbraw/zinc/05/33/92/597053392.db2.gz ILXSPXFGRFVBTJ-UHFFFAOYSA-N -1 0 305.290 -0.049 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC(=O)[O-])ccc1C(=O)N(C)C ZINC000740079000 597081291 /nfs/dbraw/zinc/08/12/91/597081291.db2.gz JZPDIKPFELSBQZ-UHFFFAOYSA-N -1 0 307.306 -0.164 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)CSCC(=O)[O-])CC1 ZINC000128074499 597087013 /nfs/dbraw/zinc/08/70/13/597087013.db2.gz DWZIYZFRISFPHB-UHFFFAOYSA-N -1 0 303.384 -0.869 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000769526911 597090084 /nfs/dbraw/zinc/09/00/84/597090084.db2.gz KSBUKZZGKUEWPX-VIFPVBQESA-N -1 0 309.322 -0.589 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)CSCC(=O)[O-])cn1 ZINC000739601165 597091772 /nfs/dbraw/zinc/09/17/72/597091772.db2.gz YKHJMBOWFYABTG-UHFFFAOYSA-N -1 0 300.340 -0.272 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)CSCC(=O)[O-])C1 ZINC000128177119 597097379 /nfs/dbraw/zinc/09/73/79/597097379.db2.gz OIQVCPUOWGUMJA-SECBINFHSA-N -1 0 324.424 -0.408 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=S)NCCC(=O)[O-])cc1 ZINC000038781961 597108659 /nfs/dbraw/zinc/10/86/59/597108659.db2.gz JAJLIXGGHDSRDA-UHFFFAOYSA-N -1 0 317.392 -0.227 20 0 DBADRM NC(=O)[C@H]1CC(C(=O)NCCC(=O)[O-])=NN1c1ccc(F)cc1 ZINC000740324130 597117178 /nfs/dbraw/zinc/11/71/78/597117178.db2.gz DXJDNHHUDGLGAL-LLVKDONJSA-N -1 0 322.296 -0.163 20 0 DBADRM Cc1nc([C@H]2CN(C(=O)CSCC(=O)[O-])CCO2)n[nH]1 ZINC000740205027 597127628 /nfs/dbraw/zinc/12/76/28/597127628.db2.gz UCLXLKLTEIEWAK-MRVPVSSYSA-N -1 0 300.340 -0.169 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000819522001 597212808 /nfs/dbraw/zinc/21/28/08/597212808.db2.gz WRHJRNANKATCSI-UHFFFAOYSA-N -1 0 312.303 -0.844 20 0 DBADRM CS(=O)(=O)CCN1CCC(NC(=O)NCCC(=O)[O-])CC1 ZINC000818639022 597219846 /nfs/dbraw/zinc/21/98/46/597219846.db2.gz VTTWVBRFLKHCOP-UHFFFAOYSA-N -1 0 321.399 -0.731 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cc(C(N)=O)ccc1F)C(=O)[O-] ZINC000818261504 597221695 /nfs/dbraw/zinc/22/16/95/597221695.db2.gz MFHJDYCWDAXUFE-MRVPVSSYSA-N -1 0 311.269 -0.158 20 0 DBADRM CN(C1CCN(C(=O)NCCC(=O)[O-])CC1)S(C)(=O)=O ZINC000818394732 597222548 /nfs/dbraw/zinc/22/25/48/597222548.db2.gz SAKAMXQXSVBUBC-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM O=C([O-])CCNC(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000819473656 597222675 /nfs/dbraw/zinc/22/26/75/597222675.db2.gz UCYMHZNDDYOKRQ-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM COCCNC(=O)C1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000818542559 597222706 /nfs/dbraw/zinc/22/27/06/597222706.db2.gz BJHIUDNRIZSCTM-UHFFFAOYSA-N -1 0 301.343 -0.355 20 0 DBADRM C[C@@H](C(=O)NCCCC(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC000817737779 597231547 /nfs/dbraw/zinc/23/15/47/597231547.db2.gz BZLICJJIMHGMHB-VIFPVBQESA-N -1 0 307.368 -0.050 20 0 DBADRM C[C@H](C(=O)N(C)CCC(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC000817728005 597233655 /nfs/dbraw/zinc/23/36/55/597233655.db2.gz UONAJLIRBMBTPI-SECBINFHSA-N -1 0 307.368 -0.098 20 0 DBADRM C[C@]1([C@H]2CCCN(C(=O)NCCC(=O)[O-])C2)NC(=O)NC1=O ZINC000818080489 597254150 /nfs/dbraw/zinc/25/41/50/597254150.db2.gz MCPUTUNZHNKZDK-ISVAXAHUSA-N -1 0 312.326 -0.519 20 0 DBADRM CN(C)C(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000737952294 597254748 /nfs/dbraw/zinc/25/47/48/597254748.db2.gz VBIDSAUYXOGILT-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(c2ccc(C(=O)NCCO)nn2)C1 ZINC000819385478 597260019 /nfs/dbraw/zinc/26/00/19/597260019.db2.gz SXABUTUNQYUMNN-JTQLQIEISA-N -1 0 308.338 -0.110 20 0 DBADRM O=C([O-])CSCC(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000819539619 597267401 /nfs/dbraw/zinc/26/74/01/597267401.db2.gz BYOWBITZKQCSDE-JMCQJSRRSA-N -1 0 315.351 -0.701 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)c1ccccc1 ZINC000739266644 597269268 /nfs/dbraw/zinc/26/92/68/597269268.db2.gz DMSIXTSIMXMCCL-LBPRGKRZSA-N -1 0 317.301 -0.131 20 0 DBADRM O=C(CC[C@H]1NC(=O)NC1=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000819142315 597271602 /nfs/dbraw/zinc/27/16/02/597271602.db2.gz XBCNGCMXZHANNP-KOLCDFICSA-N -1 0 305.290 -0.083 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000818232586 597295151 /nfs/dbraw/zinc/29/51/51/597295151.db2.gz JMDQUJLUWVNXLB-LLVKDONJSA-N -1 0 303.359 -0.814 20 0 DBADRM C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)C(=O)[O-] ZINC000738952879 597308182 /nfs/dbraw/zinc/30/81/82/597308182.db2.gz BSODFZXUUVGVNU-CPCISQLKSA-N -1 0 322.296 -0.165 20 0 DBADRM C[C@H](NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C(=O)[O-] ZINC000738958907 597308954 /nfs/dbraw/zinc/30/89/54/597308954.db2.gz PSMFONFNZIWQOB-QMMMGPOBSA-N -1 0 319.325 -0.675 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cnn(CC(F)(F)F)c1)C(=O)[O-] ZINC000818022010 597322791 /nfs/dbraw/zinc/32/27/91/597322791.db2.gz BKZQZJVQLJJFAT-YFKPBYRVSA-N -1 0 308.216 -0.027 20 0 DBADRM O=C([O-])C1(NC(=O)Cn2ncn3nccc3c2=O)CCCCC1 ZINC000819170375 597336385 /nfs/dbraw/zinc/33/63/85/597336385.db2.gz JHHXKXOIMLELSS-UHFFFAOYSA-N -1 0 319.321 -0.205 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccnn2CC2CC2)CCO1 ZINC000821478733 597343198 /nfs/dbraw/zinc/34/31/98/597343198.db2.gz CCCLKUPXSKAWSC-SNVBAGLBSA-N -1 0 322.321 -0.456 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)C(=O)[O-] ZINC000820115664 597344139 /nfs/dbraw/zinc/34/41/39/597344139.db2.gz YWWRCWNXJOWRJJ-SECBINFHSA-N -1 0 317.305 -0.146 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CCNC(=O)C1 ZINC000819586228 597347495 /nfs/dbraw/zinc/34/74/95/597347495.db2.gz WOQRKMBBLAIQEJ-UHFFFAOYSA-N -1 0 305.290 -0.789 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)Nc1cccnc1-n1cncn1 ZINC000819419220 597357128 /nfs/dbraw/zinc/35/71/28/597357128.db2.gz NMXBJPXVBYTNSB-UHFFFAOYSA-N -1 0 318.293 -0.418 20 0 DBADRM CC(C)N1C(=O)N[C@]2(CCN(C(=O)NCCC(=O)[O-])C2)C1=O ZINC000820025145 597362252 /nfs/dbraw/zinc/36/22/52/597362252.db2.gz WTPKLSPUSWTQNT-ZDUSSCGKSA-N -1 0 312.326 -0.425 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)CCO1 ZINC000738552094 597374777 /nfs/dbraw/zinc/37/47/77/597374777.db2.gz YDHLIBMYAXKLCC-JTQLQIEISA-N -1 0 303.278 -0.412 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738167399 597377084 /nfs/dbraw/zinc/37/70/84/597377084.db2.gz ODCNJTLDXILIBE-SNVBAGLBSA-N -1 0 320.305 -0.814 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)[C@H](C)C1 ZINC000819731331 597381288 /nfs/dbraw/zinc/38/12/88/597381288.db2.gz JAJIEVBBDRXJCZ-USWWRNFRSA-N -1 0 313.354 -0.262 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CCc2nc(-c3nc[nH]n3)no2)CCO1 ZINC000819307177 597383099 /nfs/dbraw/zinc/38/30/99/597383099.db2.gz BMZQIYQNEJHUDY-ZETCQYMHSA-N -1 0 322.281 -0.901 20 0 DBADRM Cn1cc(N2CCC[C@H](N3CCO[C@@H](C(=O)[O-])C3)C2=O)cn1 ZINC000738410108 597385098 /nfs/dbraw/zinc/38/50/98/597385098.db2.gz CRTNLXUKIMHYHZ-NWDGAFQWSA-N -1 0 308.338 -0.299 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000820890845 597385392 /nfs/dbraw/zinc/38/53/92/597385392.db2.gz QEQFYESDVHNVLV-NXEZZACHSA-N -1 0 319.383 -0.474 20 0 DBADRM CCn1nc(C)c(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1C ZINC000820517638 597388520 /nfs/dbraw/zinc/38/85/20/597388520.db2.gz MLHVLKNKQQPMGL-JTQLQIEISA-N -1 0 324.337 -0.230 20 0 DBADRM CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN(C)CC(=O)[O-])C1=O ZINC000820290775 597394025 /nfs/dbraw/zinc/39/40/25/597394025.db2.gz PAIWFLGYDTUJKU-ZDUSSCGKSA-N -1 0 309.326 -0.449 20 0 DBADRM Cc1cc(=O)n2nc(CN3CCO[C@H](C(=O)[O-])C3)sc2n1 ZINC000049871681 597399640 /nfs/dbraw/zinc/39/96/40/597399640.db2.gz ZHGKHBAEJUVJST-QMMMGPOBSA-N -1 0 310.335 -0.255 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC000820443750 597400418 /nfs/dbraw/zinc/40/04/18/597400418.db2.gz UIPQCQRVYOVMLP-KWQFWETISA-N -1 0 307.310 -0.494 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCC(=O)NCC(F)(F)F)CCO1 ZINC000393681964 597419360 /nfs/dbraw/zinc/41/93/60/597419360.db2.gz FWGQJGBYKFELRV-LURJTMIESA-N -1 0 313.232 -0.840 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1S(C)(=O)=O ZINC000821088203 597419766 /nfs/dbraw/zinc/41/97/66/597419766.db2.gz QDQAMUVCNQESOW-UHFFFAOYSA-N -1 0 314.319 -0.462 20 0 DBADRM C[C@@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)c1nnc2n1CCC2 ZINC000737682792 597424575 /nfs/dbraw/zinc/42/45/75/597424575.db2.gz IGHMNXAGLMMMPZ-BDAKNGLRSA-N -1 0 309.326 -0.220 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000737584406 597428460 /nfs/dbraw/zinc/42/84/60/597428460.db2.gz WHOSXJCFAOHROJ-VIFPVBQESA-N -1 0 322.383 -0.305 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000818638759 597438867 /nfs/dbraw/zinc/43/88/67/597438867.db2.gz CLFZIEGVVQORJT-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM CN(CC(=O)N1CCC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000032074243 597455526 /nfs/dbraw/zinc/45/55/26/597455526.db2.gz VRGITDRGBTWQKB-ZJUUUORDSA-N -1 0 304.368 -0.819 20 0 DBADRM CN(CC(=O)N1CCC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000820554553 597456139 /nfs/dbraw/zinc/45/61/39/597456139.db2.gz VRGITDRGBTWQKB-UWVGGRQHSA-N -1 0 304.368 -0.819 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000022157830 597458060 /nfs/dbraw/zinc/45/80/60/597458060.db2.gz QQDARAWJVSGGQD-VIFPVBQESA-N -1 0 315.351 -0.248 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000817772298 597475762 /nfs/dbraw/zinc/47/57/62/597475762.db2.gz SHOVIVVSBKPPBX-LURJTMIESA-N -1 0 310.310 -0.546 20 0 DBADRM C[C@H](C(=O)[O-])N(C)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000817779425 597482341 /nfs/dbraw/zinc/48/23/41/597482341.db2.gz OOOHHGWMYANWQR-KOLCDFICSA-N -1 0 308.338 -0.300 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)ccc1C(=O)[O-] ZINC000820997079 597491443 /nfs/dbraw/zinc/49/14/43/597491443.db2.gz RZOSMJZYOMQWCJ-HNNXBMFYSA-N -1 0 322.317 -0.101 20 0 DBADRM C[C@H](OC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)[O-] ZINC000737703308 597494728 /nfs/dbraw/zinc/49/47/28/597494728.db2.gz IEPKLFGAQKZQCK-ZETCQYMHSA-N -1 0 313.287 -0.153 20 0 DBADRM C[C@H](OC(=O)CCNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000737705581 597497496 /nfs/dbraw/zinc/49/74/96/597497496.db2.gz OVEOPHQBDGWNHN-QMMMGPOBSA-N -1 0 302.308 -0.234 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)o1 ZINC000261674822 597498499 /nfs/dbraw/zinc/49/84/99/597498499.db2.gz AYBNMRIKSLHKRC-SSDOTTSWSA-N -1 0 302.308 -0.266 20 0 DBADRM CN(CC(=O)N1CC[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000818394646 597504900 /nfs/dbraw/zinc/50/49/00/597504900.db2.gz JKKWRFQPZFCRSA-ZJUUUORDSA-N -1 0 304.368 -0.962 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC000818482404 597507894 /nfs/dbraw/zinc/50/78/94/597507894.db2.gz TZPJXQPSXCAJQO-NSHDSACASA-N -1 0 312.370 -0.733 20 0 DBADRM NC(=O)CCOc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000819116881 597515060 /nfs/dbraw/zinc/51/50/60/597515060.db2.gz FULYAWJIIZSZGD-UHFFFAOYSA-N -1 0 309.278 -0.920 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1)C(=O)[O-] ZINC000818019247 597516244 /nfs/dbraw/zinc/51/62/44/597516244.db2.gz ZSWFVUSVGCNWIN-MRVPVSSYSA-N -1 0 303.278 -0.205 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1)C(=O)[O-] ZINC000818022212 597516821 /nfs/dbraw/zinc/51/68/21/597516821.db2.gz FOIZLELWTHLWBP-QMMMGPOBSA-N -1 0 320.305 -0.256 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(N)=O)c1)C(=O)[O-] ZINC000818019253 597517907 /nfs/dbraw/zinc/51/79/07/597517907.db2.gz ZVCAOUNNUOBGQT-YFKPBYRVSA-N -1 0 313.697 -0.033 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)nc1)C(=O)[O-] ZINC000818017548 597518149 /nfs/dbraw/zinc/51/81/49/597518149.db2.gz BJUWXXMLHSXVMD-ZETCQYMHSA-N -1 0 304.266 -0.810 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC000818017538 597519292 /nfs/dbraw/zinc/51/92/92/597519292.db2.gz BELTUJCUDITMLR-ZCFIWIBFSA-N -1 0 307.262 -0.455 20 0 DBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000819040823 597519561 /nfs/dbraw/zinc/51/95/61/597519561.db2.gz GECFCGCWXZUFSR-SSDOTTSWSA-N -1 0 318.293 -0.501 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1-n1cnnn1 ZINC000818899046 597519720 /nfs/dbraw/zinc/51/97/20/597519720.db2.gz WJSXWMREGHJCJC-QMMMGPOBSA-N -1 0 318.293 -0.501 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccnc1N1CCOCC1)C(=O)[O-] ZINC000818021985 597520344 /nfs/dbraw/zinc/52/03/44/597520344.db2.gz AWQKSIJNPHYBTJ-SECBINFHSA-N -1 0 322.321 -0.554 20 0 DBADRM Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000818879007 597521973 /nfs/dbraw/zinc/52/19/73/597521973.db2.gz FPKNPSATWCSSBO-SNVBAGLBSA-N -1 0 319.317 -0.034 20 0 DBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000062132716 597532634 /nfs/dbraw/zinc/53/26/34/597532634.db2.gz VCPAOWCVASJGNP-ZETCQYMHSA-N -1 0 311.319 -0.049 20 0 DBADRM Nc1c(C(=O)CN2CC[C@@H](C(=O)[O-])C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000819131003 597536517 /nfs/dbraw/zinc/53/65/17/597536517.db2.gz YMJRVTASFBISEZ-SSDOTTSWSA-N -1 0 322.321 -0.545 20 0 DBADRM C[C@H](O)C[C@H]1CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824698703 607779293 /nfs/dbraw/zinc/77/92/93/607779293.db2.gz NLLJNPCANFCTAW-DTWKUNHWSA-N -1 0 306.330 -0.780 20 0 DBADRM CCc1nnc2n1C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)CC2 ZINC000820504190 597665771 /nfs/dbraw/zinc/66/57/71/597665771.db2.gz YPHBJQMOBRUIGQ-NXEZZACHSA-N -1 0 323.353 -0.350 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CCO1 ZINC000821510330 597667948 /nfs/dbraw/zinc/66/79/48/597667948.db2.gz BBJJXFJSISXPSK-GXSJLCMTSA-N -1 0 311.338 -0.508 20 0 DBADRM CC(=O)NCCN(CC(=O)N1CCO[C@H](C)C1)[C@@H](C)C(=O)[O-] ZINC000819770535 597677858 /nfs/dbraw/zinc/67/78/58/597677858.db2.gz XHRIYCLCEPGONH-MNOVXSKESA-N -1 0 315.370 -0.855 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCn2cncc2C1)[C@H](C)C(=O)[O-] ZINC000819744261 597686071 /nfs/dbraw/zinc/68/60/71/597686071.db2.gz BYMAKMHMNTVOKA-ZYHUDNBSSA-N -1 0 322.365 -0.117 20 0 DBADRM CC(=O)NCCN(C(=O)c1nc(C)c(C)[nH]c1=O)[C@H](C)C(=O)[O-] ZINC000819762564 597688279 /nfs/dbraw/zinc/68/82/79/597688279.db2.gz OGOLMOQTOIQUBO-SECBINFHSA-N -1 0 324.337 -0.562 20 0 DBADRM CC(=O)NCCN(C(=O)C(F)(F)C1(O)CCC1)[C@@H](C)C(=O)[O-] ZINC000819744329 597695049 /nfs/dbraw/zinc/69/50/49/597695049.db2.gz HIBYQQDGYUIHRX-QMMMGPOBSA-N -1 0 322.308 -0.026 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)NCCN2CCNC(=O)C2)c1 ZINC000821557771 597698021 /nfs/dbraw/zinc/69/80/21/597698021.db2.gz ZRJHKLPZQVZAJC-UHFFFAOYSA-N -1 0 320.349 -0.384 20 0 DBADRM COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NCC(=O)[O-] ZINC000820677944 597702298 /nfs/dbraw/zinc/70/22/98/597702298.db2.gz ZCMKZGZWIBSRHE-UHFFFAOYSA-N -1 0 316.216 -0.109 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)C(=O)[O-] ZINC000820425380 597714345 /nfs/dbraw/zinc/71/43/45/597714345.db2.gz IXHJXPBHSACJHJ-KWQFWETISA-N -1 0 309.322 -0.061 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)cn(C)c1=O ZINC000821008764 597714674 /nfs/dbraw/zinc/71/46/74/597714674.db2.gz LYOBWNZGDJWHEG-JTQLQIEISA-N -1 0 309.322 -0.142 20 0 DBADRM CC(=O)NCCN(C(=O)c1cccc(C(N)=O)n1)[C@H](C)C(=O)[O-] ZINC000819757997 597716665 /nfs/dbraw/zinc/71/66/65/597716665.db2.gz KAKOOVLTPUERNS-MRVPVSSYSA-N -1 0 322.321 -0.768 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2OCO3)CCO1 ZINC000821470671 597726050 /nfs/dbraw/zinc/72/60/50/597726050.db2.gz UFKBBOIMXAVMSD-JTQLQIEISA-N -1 0 322.273 -0.334 20 0 DBADRM O=C([O-])CNC(=O)C[S@@](=O)Cc1nnnn1-c1ccccc1 ZINC000821534321 597736285 /nfs/dbraw/zinc/73/62/85/597736285.db2.gz KVVJHEORLCOBCM-QFIPXVFZSA-N -1 0 323.334 -0.888 20 0 DBADRM CN(C)c1nc(C[S@](=O)CC(=O)NCC(=O)[O-])ns1 ZINC000820554219 597737979 /nfs/dbraw/zinc/73/79/79/597737979.db2.gz ITUCPZJKCFXBBT-IBGZPJMESA-N -1 0 306.369 -0.946 20 0 DBADRM O=C([O-])CNC(=O)CSc1n[nH]c(=O)n1C[C@H]1CCCO1 ZINC000821534743 597751325 /nfs/dbraw/zinc/75/13/25/597751325.db2.gz QAMYYERDZLXFGA-SSDOTTSWSA-N -1 0 316.339 -0.544 20 0 DBADRM C[C@@]1(c2cccs2)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000818703298 597752045 /nfs/dbraw/zinc/75/20/45/597752045.db2.gz OAFNGSQYVVRGLZ-LBPRGKRZSA-N -1 0 311.319 -0.284 20 0 DBADRM C[C@@]1(c2ccsc2)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000818702562 597753854 /nfs/dbraw/zinc/75/38/54/597753854.db2.gz BKLRFCZHQQPJEY-LBPRGKRZSA-N -1 0 311.319 -0.284 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)NCC(=O)[O-] ZINC000821235328 597760535 /nfs/dbraw/zinc/76/05/35/597760535.db2.gz GWURZMRZQLMCSM-UHFFFAOYSA-N -1 0 305.312 -0.887 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(C(=O)C2CCCCC2)CC1 ZINC000821530584 597772227 /nfs/dbraw/zinc/77/22/27/597772227.db2.gz LCFCXRDXAJFYBF-UHFFFAOYSA-N -1 0 311.382 -0.088 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(C(=O)c2ccccn2)CC1 ZINC000821530359 597791471 /nfs/dbraw/zinc/79/14/71/597791471.db2.gz GWOIIZXXCRJPRL-UHFFFAOYSA-N -1 0 306.322 -0.960 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(C(=O)c2ccccc2O)CC1 ZINC000821530257 597796253 /nfs/dbraw/zinc/79/62/53/597796253.db2.gz CPQVWMRZXJILNX-UHFFFAOYSA-N -1 0 321.333 -0.649 20 0 DBADRM Cn1ccnc1[C@@H](O)C1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000821304683 597798595 /nfs/dbraw/zinc/79/85/95/597798595.db2.gz BNRGIEPNGDIYSA-ZDUSSCGKSA-N -1 0 310.354 -0.634 20 0 DBADRM C[C@@H](NCC(=O)NCC(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000820142264 597807242 /nfs/dbraw/zinc/80/72/42/597807242.db2.gz RZEFDEFEKCEGTN-MRVPVSSYSA-N -1 0 315.351 -0.815 20 0 DBADRM O=C([O-])CNC(=O)CN1CCNC(=O)[C@@H]1c1ccccc1F ZINC000821530999 597816207 /nfs/dbraw/zinc/81/62/07/597816207.db2.gz SSJXFCOTEFMPSD-ZDUSSCGKSA-N -1 0 309.297 -0.501 20 0 DBADRM CC(=O)Nc1ccc(CC(=O)OCC(=O)NCC(=O)[O-])cc1 ZINC000819788753 597825788 /nfs/dbraw/zinc/82/57/88/597825788.db2.gz LAXHWPKQJUBFLI-UHFFFAOYSA-N -1 0 308.290 -0.069 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000821532164 597826457 /nfs/dbraw/zinc/82/64/57/597826457.db2.gz PTHCWLJTTCCPTQ-UHFFFAOYSA-N -1 0 308.246 -0.625 20 0 DBADRM CC(=O)N[C@H](C(=O)OCC(=O)NCC(=O)[O-])C1CCCC1 ZINC000819737301 597827165 /nfs/dbraw/zinc/82/71/65/597827165.db2.gz ODGGETDQIUSEFI-LBPRGKRZSA-N -1 0 300.311 -0.575 20 0 DBADRM Cc1cc2ncc(C(=O)OCC(=O)NCC(=O)[O-])c(C)n2n1 ZINC000821052244 597828317 /nfs/dbraw/zinc/82/83/17/597828317.db2.gz LNXVUNKTUCESJX-UHFFFAOYSA-N -1 0 306.278 -0.296 20 0 DBADRM CC(=O)N1CCc2cc(C(=O)OCC(=O)NCC(=O)[O-])ccc21 ZINC000819737036 597831203 /nfs/dbraw/zinc/83/12/03/597831203.db2.gz CSBVJHWGSGEQLP-UHFFFAOYSA-N -1 0 320.301 -0.047 20 0 DBADRM CCOC(=O)N1CCC[C@@H](C(=O)OCC(=O)NCC(=O)[O-])C1 ZINC000820369039 597831888 /nfs/dbraw/zinc/83/18/88/597831888.db2.gz JQGUHQYQDJYMME-SECBINFHSA-N -1 0 316.310 -0.401 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)OCCCCC(=O)[O-])CC1 ZINC000738444661 597831895 /nfs/dbraw/zinc/83/18/95/597831895.db2.gz JSVRSZMPNODYMC-UHFFFAOYSA-N -1 0 308.356 -0.300 20 0 DBADRM COc1ccc2c(c1)C[C@@H](C(=O)OCC(=O)NCC(=O)[O-])CO2 ZINC000820853280 597832807 /nfs/dbraw/zinc/83/28/07/597832807.db2.gz HRILOEGVYBXGIW-SNVBAGLBSA-N -1 0 323.301 -0.010 20 0 DBADRM Cc1c(C(=O)OCC(=O)NCC(=O)[O-])cnn1-c1ccccn1 ZINC000820940621 597832976 /nfs/dbraw/zinc/83/29/76/597832976.db2.gz QXSBUQPZSMIAJY-UHFFFAOYSA-N -1 0 318.289 -0.067 20 0 DBADRM CCCC(=O)N1CCC[C@H](C(=O)OCC(=O)NCC(=O)[O-])C1 ZINC000820296984 597837207 /nfs/dbraw/zinc/83/72/07/597837207.db2.gz IGYOAMHYDRYHBM-JTQLQIEISA-N -1 0 314.338 -0.231 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)Cn1ccc(=O)c2ccccc21 ZINC000821530988 597838229 /nfs/dbraw/zinc/83/82/29/597838229.db2.gz BWWJMCLLKYBGIR-UHFFFAOYSA-N -1 0 318.285 -0.255 20 0 DBADRM CC(C)C(=O)N1CCC[C@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000819955126 597838809 /nfs/dbraw/zinc/83/88/09/597838809.db2.gz JTJDYJVYXGNOQR-VIFPVBQESA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)c1cc(C(=O)OC)n(CN2CC[C@H](C(=O)[O-])C2)n1 ZINC000820677795 598058340 /nfs/dbraw/zinc/05/83/40/598058340.db2.gz RQDBZLJCBATZRQ-QMMMGPOBSA-N -1 0 311.294 -0.180 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000820000475 598076101 /nfs/dbraw/zinc/07/61/01/598076101.db2.gz NESFLFHUSIYBFB-SNVBAGLBSA-N -1 0 306.384 -0.573 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)Nc2ccccc2CC(=O)[O-])n1 ZINC000821310771 598114525 /nfs/dbraw/zinc/11/45/25/598114525.db2.gz NXJFRQRYXWMGME-UHFFFAOYSA-N -1 0 317.305 -0.303 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000821544629 598154578 /nfs/dbraw/zinc/15/45/78/598154578.db2.gz JHEIQBKCYHYNCN-CYBMUJFWSA-N -1 0 308.334 -0.192 20 0 DBADRM Cn1c2[nH]c(CN3CCC[C@H]3C(=O)[O-])nc2c(=O)n(C)c1=O ZINC000821268787 598161949 /nfs/dbraw/zinc/16/19/49/598161949.db2.gz JFDAZYCCUVHTTD-ZETCQYMHSA-N -1 0 307.310 -0.991 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCCCC(=O)[O-])C1 ZINC000820641768 598167479 /nfs/dbraw/zinc/16/74/79/598167479.db2.gz YQNKUOSCVNKFRA-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCCCCC(=O)[O-])C1 ZINC000820360741 598167809 /nfs/dbraw/zinc/16/78/09/598167809.db2.gz DDEWIHXBAMFYAU-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM C[S@@](=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1F ZINC000820899734 598169722 /nfs/dbraw/zinc/16/97/22/598169722.db2.gz DFSDYJLPRCNQRO-HXUWFJFHSA-N -1 0 302.283 -0.298 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccnc2Cl)CCO1 ZINC000821479241 598169775 /nfs/dbraw/zinc/16/97/75/598169775.db2.gz RXMFEKGHEJIPPE-QMMMGPOBSA-N -1 0 313.697 -0.015 20 0 DBADRM COCc1cc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)ncn1 ZINC000820744042 598169949 /nfs/dbraw/zinc/16/99/49/598169949.db2.gz ZBPSDWDEDRPGNS-SNVBAGLBSA-N -1 0 310.310 -0.213 20 0 DBADRM CN1C(=O)N[C@@]2(CCN(C(=O)NCCCCC(=O)[O-])C2)C1=O ZINC000820614279 598170413 /nfs/dbraw/zinc/17/04/13/598170413.db2.gz DMCUEHHAVKOVTH-CYBMUJFWSA-N -1 0 312.326 -0.423 20 0 DBADRM O=C([O-])CCCCNC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000821518706 598170467 /nfs/dbraw/zinc/17/04/67/598170467.db2.gz YRBWLSFTKBNVEY-UHFFFAOYSA-N -1 0 322.383 -0.520 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NCCN1CCOCC1 ZINC000821426460 598172814 /nfs/dbraw/zinc/17/28/14/598172814.db2.gz WFBPFIOAIZEVCW-UHFFFAOYSA-N -1 0 321.333 -0.228 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@H]1COCCO1 ZINC000821421477 598173768 /nfs/dbraw/zinc/17/37/68/598173768.db2.gz WFRVHRSNJLWOIX-VIFPVBQESA-N -1 0 308.290 -0.145 20 0 DBADRM Cn1nnnc1CCNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000821315580 598175864 /nfs/dbraw/zinc/17/58/64/598175864.db2.gz YGGPEGFYIQRKJD-UHFFFAOYSA-N -1 0 318.293 -0.794 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N(C)CCC(=O)[O-])O1 ZINC000820524306 598180285 /nfs/dbraw/zinc/18/02/85/598180285.db2.gz RBEWRUAPEZBHDO-ZJUUUORDSA-N -1 0 301.343 -0.262 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)NCCCC(=O)[O-])CC2)C1=O ZINC000820615749 598180348 /nfs/dbraw/zinc/18/03/48/598180348.db2.gz WOQURKLBAYGRPP-UHFFFAOYSA-N -1 0 312.326 -0.423 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)CSCC(=O)[O-] ZINC000820653936 598205320 /nfs/dbraw/zinc/20/53/20/598205320.db2.gz UAMKHHUEBDDXDA-IUCAKERBSA-N -1 0 305.352 -0.017 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cn3c(n2)CCCC3)CCO1 ZINC000821513347 598226381 /nfs/dbraw/zinc/22/63/81/598226381.db2.gz URTSCRXUOXLPPD-VIFPVBQESA-N -1 0 315.351 -0.307 20 0 DBADRM CC(C)(O)C(=O)OCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000735677614 598289117 /nfs/dbraw/zinc/28/91/17/598289117.db2.gz FZHMWXRVOBBFEB-UHFFFAOYSA-N -1 0 319.321 -0.203 20 0 DBADRM CS(=O)(=O)CCCNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000738153369 600570968 /nfs/dbraw/zinc/57/09/68/600570968.db2.gz QNIBISZLTLDVEA-UHFFFAOYSA-N -1 0 304.328 -0.476 20 0 DBADRM CCc1nn(CCn2cncn2)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736707724 598378621 /nfs/dbraw/zinc/37/86/21/598378621.db2.gz SIJSWCFQNNUUEW-UHFFFAOYSA-N -1 0 315.341 -0.160 20 0 DBADRM CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CCC(CO)CC1 ZINC000821571864 607356779 /nfs/dbraw/zinc/35/67/79/607356779.db2.gz ITVRTBGJSLEULR-UHFFFAOYSA-N -1 0 320.357 -0.532 20 0 DBADRM C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1nnn[n-]1 ZINC000736188092 598604316 /nfs/dbraw/zinc/60/43/16/598604316.db2.gz LFYFUGOJZTVHGK-LURJTMIESA-N -1 0 301.270 -0.214 20 0 DBADRM C[C@H](NC(=O)CN1CCSC[C@H]1CC(=O)[O-])C(=O)N(C)C ZINC000827631165 601020523 /nfs/dbraw/zinc/02/05/23/601020523.db2.gz ZAHMJMLNUJNCPV-VHSXEESVSA-N -1 0 317.411 -0.529 20 0 DBADRM C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nnn[n-]1 ZINC000736168931 598625584 /nfs/dbraw/zinc/62/55/84/598625584.db2.gz LDUVOJVLARQCGT-ZETCQYMHSA-N -1 0 315.297 -0.537 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000062976372 601110357 /nfs/dbraw/zinc/11/03/57/601110357.db2.gz NFYOIKQPOXAAHC-NSHDSACASA-N -1 0 306.384 -0.413 20 0 DBADRM Nc1c(-c2nn[nH]n2)cnn1C(=O)c1n[n-]c2ccccc2c1=O ZINC000737772557 598720998 /nfs/dbraw/zinc/72/09/98/598720998.db2.gz ZORRFURBBINYQY-UHFFFAOYSA-N -1 0 323.276 -0.017 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737013061 598740038 /nfs/dbraw/zinc/74/00/38/598740038.db2.gz DXADFPYKBICCAU-UHFFFAOYSA-N -1 0 311.323 -0.427 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCc2cnn(C)c2)c1=O ZINC000736714920 599340139 /nfs/dbraw/zinc/34/01/39/599340139.db2.gz WQSAIOACDDBLPO-UHFFFAOYSA-N -1 0 316.325 -0.814 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1=COCC1 ZINC000823284834 599620126 /nfs/dbraw/zinc/62/01/26/599620126.db2.gz KPTAVRQYGNAPBU-UHFFFAOYSA-N -1 0 321.318 -0.024 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000821165789 599626080 /nfs/dbraw/zinc/62/60/80/599626080.db2.gz WBKMCPDYKBTCCP-UHFFFAOYSA-N -1 0 311.327 -0.812 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000737067063 599703162 /nfs/dbraw/zinc/70/31/62/599703162.db2.gz GTBIRFDXBKLBRF-NXEZZACHSA-N -1 0 314.338 -0.377 20 0 DBADRM NS(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000739188046 599710201 /nfs/dbraw/zinc/71/02/01/599710201.db2.gz DYNJKRNCARNIEQ-LLVKDONJSA-N -1 0 317.342 -0.228 20 0 DBADRM O=C([O-])NCCC(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000739947579 599720930 /nfs/dbraw/zinc/72/09/30/599720930.db2.gz GRVPVAIDLDKQQX-UHFFFAOYSA-N -1 0 307.310 -0.386 20 0 DBADRM CN(CCCC(=O)N1CCC(NS(C)(=O)=O)CC1)C(=O)[O-] ZINC000737418683 599727967 /nfs/dbraw/zinc/72/79/67/599727967.db2.gz RZACRNRYFHAHAM-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM NC(=O)CNC(=O)c1ccc(NC(=O)CCCNC(=O)[O-])cc1 ZINC000739163951 599728637 /nfs/dbraw/zinc/72/86/37/599728637.db2.gz XIOUDGAJAWDJTG-UHFFFAOYSA-N -1 0 322.321 -0.112 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000737124303 599731873 /nfs/dbraw/zinc/73/18/73/599731873.db2.gz KQJAVYLSWKJQCP-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM CN(CCCC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC000737425739 599732759 /nfs/dbraw/zinc/73/27/59/599732759.db2.gz FVHLOECYWGYLPC-UHFFFAOYSA-N -1 0 309.388 -0.226 20 0 DBADRM CN(CCCC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC000737419714 599732775 /nfs/dbraw/zinc/73/27/75/599732775.db2.gz XVZJFYIRSDPMGU-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)CCCN(C)C(=O)[O-])CC1 ZINC000736133873 599733264 /nfs/dbraw/zinc/73/32/64/599733264.db2.gz FTIKXJWKBYCFJR-UHFFFAOYSA-N -1 0 314.386 -0.343 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000738249579 599736252 /nfs/dbraw/zinc/73/62/52/599736252.db2.gz WIRADFVXEQMIRP-SECBINFHSA-N -1 0 304.306 -0.193 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)[O-])cc1 ZINC000739188143 599740842 /nfs/dbraw/zinc/74/08/42/599740842.db2.gz DBFCXNYCDSUOSA-UHFFFAOYSA-N -1 0 315.351 -0.002 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC000739164041 599741958 /nfs/dbraw/zinc/74/19/58/599741958.db2.gz YXOIBXYEYPVZPG-UHFFFAOYSA-N -1 0 321.333 -0.607 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000739162659 599742009 /nfs/dbraw/zinc/74/20/09/599742009.db2.gz GGJGSDROSNOXGP-UHFFFAOYSA-N -1 0 321.333 -0.607 20 0 DBADRM CN1CC(=O)N(CCCC(=O)Nc2ccn(CC(=O)[O-])n2)C1=O ZINC000737504955 599742212 /nfs/dbraw/zinc/74/22/12/599742212.db2.gz AEHKWMXUZBICSO-UHFFFAOYSA-N -1 0 323.309 -0.420 20 0 DBADRM CS(=O)(=O)Nc1cccc(C(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000738163384 599743041 /nfs/dbraw/zinc/74/30/41/599743041.db2.gz BXFBVGZDDJHNDF-SECBINFHSA-N -1 0 302.308 -0.767 20 0 DBADRM O=C([O-])NCCC(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000739942907 599744402 /nfs/dbraw/zinc/74/44/02/599744402.db2.gz VAYGHVFUTVYYHM-UHFFFAOYSA-N -1 0 321.293 -0.019 20 0 DBADRM COC(=O)CSCCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000737628348 599745070 /nfs/dbraw/zinc/74/50/70/599745070.db2.gz QXVSCJZGCZNRGC-MRVPVSSYSA-N -1 0 318.351 -0.916 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCCNC(=O)[O-])C1 ZINC000738165666 599746090 /nfs/dbraw/zinc/74/60/90/599746090.db2.gz YQJAXOYRPSJGPK-JTQLQIEISA-N -1 0 321.399 -0.178 20 0 DBADRM CN(CCCC(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O)C(=O)[O-] ZINC000737419298 599748771 /nfs/dbraw/zinc/74/87/71/599748771.db2.gz WCDKKMGUNNMCIX-ZDUSSCGKSA-N -1 0 312.326 -0.471 20 0 DBADRM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)CCNC(=O)[O-] ZINC000738165351 599749014 /nfs/dbraw/zinc/74/90/14/599749014.db2.gz RLOXFMHXKSGEQP-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM O=C([O-])CSCCC(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000739842256 599754014 /nfs/dbraw/zinc/75/40/14/599754014.db2.gz FAJQNIDVQAFTSH-MRVPVSSYSA-N -1 0 300.336 -0.400 20 0 DBADRM COc1ccc([C@@H](NC(=O)CS(C)(=O)=O)C(=O)[O-])cc1 ZINC000737959497 599762867 /nfs/dbraw/zinc/76/28/67/599762867.db2.gz DMGCOAVHEVYGMQ-LLVKDONJSA-N -1 0 301.320 -0.018 20 0 DBADRM CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000036133092 599766308 /nfs/dbraw/zinc/76/63/08/599766308.db2.gz IIDRTORMUJKLJW-UHFFFAOYSA-N -1 0 302.308 -0.123 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@H]2COc3ccccc3O2)nn1 ZINC000263363478 599768661 /nfs/dbraw/zinc/76/86/61/599768661.db2.gz VHMIDWITVKNHOD-VIFPVBQESA-N -1 0 318.289 -0.068 20 0 DBADRM Cc1ccnc(NC(=O)CN(C)[C@@H](C)C(=O)NCC(=O)[O-])c1 ZINC000738792469 599771992 /nfs/dbraw/zinc/77/19/92/599771992.db2.gz JGXJEINBWUQNKX-JTQLQIEISA-N -1 0 308.338 -0.150 20 0 DBADRM C[C@H](CNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000736592611 599774163 /nfs/dbraw/zinc/77/41/63/599774163.db2.gz CUXKTUWUOUYNEQ-BXKDBHETSA-N -1 0 318.333 -0.057 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000037739565 599774726 /nfs/dbraw/zinc/77/47/26/599774726.db2.gz VYXFPMCHCONZJG-UHFFFAOYSA-N -1 0 313.378 -0.231 20 0 DBADRM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000110687022 599778469 /nfs/dbraw/zinc/77/84/69/599778469.db2.gz FMYKODNICSYACM-SSDOTTSWSA-N -1 0 302.308 -0.123 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCCC(=O)NCCC(=O)[O-] ZINC000738945435 599784144 /nfs/dbraw/zinc/78/41/44/599784144.db2.gz VNOOYJUHWCEIEN-UHFFFAOYSA-N -1 0 319.339 -0.449 20 0 DBADRM C[C@H](OC(=O)CN(C)C(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC000736693614 599785089 /nfs/dbraw/zinc/78/50/89/599785089.db2.gz QFGSZROCHCRJQD-QMMMGPOBSA-N -1 0 318.326 -0.014 20 0 DBADRM CC(C)C[C@H](NC(=O)CN(C)CCS(C)(=O)=O)C(=O)[O-] ZINC000736414176 599810234 /nfs/dbraw/zinc/81/02/34/599810234.db2.gz WVVKBOFLYGGNTL-JTQLQIEISA-N -1 0 308.400 -0.422 20 0 DBADRM CNC(=O)CN1CCN(C(=O)CCCN(C)C(=O)[O-])CC1 ZINC000737540391 599807850 /nfs/dbraw/zinc/80/78/50/599807850.db2.gz OOFVGHGNNNJXMQ-UHFFFAOYSA-N -1 0 300.359 -0.733 20 0 DBADRM C[C@]1(c2ccccn2)NC(=O)N(CC(=O)NCCC(=O)[O-])C1=O ZINC000736748653 599831861 /nfs/dbraw/zinc/83/18/61/599831861.db2.gz YJGZOQBACMVEBL-CQSZACIVSA-N -1 0 320.305 -0.561 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000736360790 599840612 /nfs/dbraw/zinc/84/06/12/599840612.db2.gz BJGYBWSXUYPFSY-SECBINFHSA-N -1 0 307.372 -0.618 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000736366502 599843083 /nfs/dbraw/zinc/84/30/83/599843083.db2.gz XWYCTOZFFJXJTD-VHSXEESVSA-N -1 0 321.399 -0.181 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000737735903 599844331 /nfs/dbraw/zinc/84/43/31/599844331.db2.gz MNRWHPPPFIRKRF-LLVKDONJSA-N -1 0 301.343 -0.404 20 0 DBADRM O=C([O-])c1coc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)c1 ZINC000739373248 599848152 /nfs/dbraw/zinc/84/81/52/599848152.db2.gz IHSAZPHTKFOPIZ-UHFFFAOYSA-N -1 0 321.333 -0.099 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc2c(c1)NC(=O)CCN2 ZINC000739814872 599861314 /nfs/dbraw/zinc/86/13/14/599861314.db2.gz XFOVQNGOCKWWAG-UHFFFAOYSA-N -1 0 321.289 -0.202 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)COC(=O)C(C)(C)NC(=O)[O-] ZINC000737746541 599864569 /nfs/dbraw/zinc/86/45/69/599864569.db2.gz BLEOULSBLHCNQR-SSDOTTSWSA-N -1 0 319.314 -0.564 20 0 DBADRM CN(CC(=O)Oc1ccc(C[C@H]2NC(=O)NC2=O)cc1)C(=O)[O-] ZINC000737406125 599882229 /nfs/dbraw/zinc/88/22/29/599882229.db2.gz KZMZHABKIABIGX-SNVBAGLBSA-N -1 0 321.289 -0.048 20 0 DBADRM COc1ccccc1N1C[C@@H](C(=O)N[C@H](CO)C(=O)[O-])CC1=O ZINC000738132373 599897052 /nfs/dbraw/zinc/89/70/52/599897052.db2.gz CWSIGBGHDRARRM-VHSXEESVSA-N -1 0 322.317 -0.390 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NCCSCC(=O)[O-] ZINC000390022147 599899050 /nfs/dbraw/zinc/89/90/50/599899050.db2.gz ABLZRHCVKPAEFA-UHFFFAOYSA-N -1 0 313.401 -0.957 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000737094162 599907641 /nfs/dbraw/zinc/90/76/41/599907641.db2.gz QCVCSQLLJVOBMG-LLVKDONJSA-N -1 0 313.354 -0.563 20 0 DBADRM C[C@@H](CN(C(=O)c1cn(CC(=O)N(C)C)nn1)C1CC1)C(=O)[O-] ZINC000262279958 599914493 /nfs/dbraw/zinc/91/44/93/599914493.db2.gz ZJUQMGAJEFJEDY-VIFPVBQESA-N -1 0 323.353 -0.308 20 0 DBADRM C[C@H](CN(C(=O)c1cn(CC(=O)N(C)C)nn1)C1CC1)C(=O)[O-] ZINC000262279954 599914529 /nfs/dbraw/zinc/91/45/29/599914529.db2.gz ZJUQMGAJEFJEDY-SECBINFHSA-N -1 0 323.353 -0.308 20 0 DBADRM CCn1ccnc1CN1CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC000737303037 599915845 /nfs/dbraw/zinc/91/58/45/599915845.db2.gz MHENMNVXBHALAT-UHFFFAOYSA-N -1 0 323.397 -0.389 20 0 DBADRM COCCN(C(=O)CCCNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737764012 599918222 /nfs/dbraw/zinc/91/82/22/599918222.db2.gz BPZZMUZOUGMAGN-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM Cn1cc(CN2CCCN(CC(=O)NCC(=O)[O-])CC2)cn1 ZINC000739028848 599923079 /nfs/dbraw/zinc/92/30/79/599923079.db2.gz OMUVKRDCXDHBLZ-UHFFFAOYSA-N -1 0 309.370 -0.871 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCCCCC(=O)[O-] ZINC000736151008 599932915 /nfs/dbraw/zinc/93/29/15/599932915.db2.gz XBQHYZMCEYXZSC-LLVKDONJSA-N -1 0 313.354 -0.515 20 0 DBADRM O=C([O-])c1ccc(OC[C@@H](O)CN2CCCNC(=O)C2)cc1 ZINC000740307811 599939142 /nfs/dbraw/zinc/93/91/42/599939142.db2.gz VPGVBILOILHGQY-LBPRGKRZSA-N -1 0 308.334 -0.054 20 0 DBADRM Cn1nnnc1SCCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738416355 599939500 /nfs/dbraw/zinc/93/95/00/599939500.db2.gz PQVNCBQZBDFNMJ-SSDOTTSWSA-N -1 0 301.328 -0.996 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736713575 599940879 /nfs/dbraw/zinc/94/08/79/599940879.db2.gz CDLTZBZFDGBSDB-HTQZYQBOSA-N -1 0 300.340 -0.392 20 0 DBADRM COCCn1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1=O ZINC000737825621 599940925 /nfs/dbraw/zinc/94/09/25/599940925.db2.gz AXZAORNDEVEIFK-LLVKDONJSA-N -1 0 310.306 -0.580 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)o1 ZINC000169796857 599941286 /nfs/dbraw/zinc/94/12/86/599941286.db2.gz XOLAJVKHWICNKL-QMMMGPOBSA-N -1 0 318.307 -0.887 20 0 DBADRM CN(C)C(=O)N1CCC(C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000387069338 599941801 /nfs/dbraw/zinc/94/18/01/599941801.db2.gz UCPNKHBTBJGZMY-LLVKDONJSA-N -1 0 313.354 -0.308 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000387144411 599946282 /nfs/dbraw/zinc/94/62/82/599946282.db2.gz MXOSRPDHAKSPHY-NSHDSACASA-N -1 0 307.306 -0.220 20 0 DBADRM CN(CC(=O)Nc1cccc(C(=O)[O-])c1O)S(C)(=O)=O ZINC000737396252 599946846 /nfs/dbraw/zinc/94/68/46/599946846.db2.gz DMARIFPRQAONCT-UHFFFAOYSA-N -1 0 302.308 -0.080 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)c2ccccc2C1=O ZINC000737614398 599953463 /nfs/dbraw/zinc/95/34/63/599953463.db2.gz CHCIYBJPHIZQTI-UHFFFAOYSA-N -1 0 306.274 -0.200 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cn1nc2c(cc1=O)CCCC2 ZINC000737618662 599953991 /nfs/dbraw/zinc/95/39/91/599953991.db2.gz SQMDSADTCJKGFN-UHFFFAOYSA-N -1 0 309.322 -0.361 20 0 DBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1F ZINC000739175860 599953986 /nfs/dbraw/zinc/95/39/86/599953986.db2.gz CGTDYGCGKZIGLW-ZETCQYMHSA-N -1 0 323.280 -0.204 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cn1c2ccccc2n(C)c1=O ZINC000737617474 599954053 /nfs/dbraw/zinc/95/40/53/599954053.db2.gz FYVBNHFTYPTEDX-UHFFFAOYSA-N -1 0 307.306 -0.143 20 0 DBADRM COCCn1cnn(CN2CCO[C@H](C(=O)[O-])C2)c1=S ZINC000737830054 599955465 /nfs/dbraw/zinc/95/54/65/599955465.db2.gz RNOYWVICQSVIQN-VIFPVBQESA-N -1 0 302.356 -0.197 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000032077305 599958865 /nfs/dbraw/zinc/95/88/65/599958865.db2.gz MXBYZPUNHPHZBK-GHMZBOCLSA-N -1 0 320.411 -0.279 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC000738156757 599960899 /nfs/dbraw/zinc/96/08/99/599960899.db2.gz CXLZFITVKDCZIA-UHFFFAOYSA-N -1 0 310.397 -0.702 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)CCSCC(=O)[O-])C1 ZINC000738160309 599965450 /nfs/dbraw/zinc/96/54/50/599965450.db2.gz JVBFZISRUIBHRY-SECBINFHSA-N -1 0 324.424 -0.266 20 0 DBADRM O=C([O-])[C@H]1CN(CCNS(=O)(=O)c2ccccc2)CCO1 ZINC000738547913 599966670 /nfs/dbraw/zinc/96/66/70/599966670.db2.gz DZGFQSRSCSJSOY-GFCCVEGCSA-N -1 0 314.363 -0.250 20 0 DBADRM O=C(CN1CCO[C@H](C(=O)[O-])C1)NC[C@H]1Cc2ccccc2O1 ZINC000738463946 599967697 /nfs/dbraw/zinc/96/76/97/599967697.db2.gz BZESDYUNVBWIFN-OCCSQVGLSA-N -1 0 320.345 -0.108 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCO[C@@H](C(=O)OC)C1)C(=O)[O-] ZINC000736883644 599974887 /nfs/dbraw/zinc/97/48/87/599974887.db2.gz KFFAOAWFYWJHOD-UMNHJUIQSA-N -1 0 316.354 -0.524 20 0 DBADRM O=C(CN1CCO[C@@H](C(=O)[O-])C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000738466319 599976307 /nfs/dbraw/zinc/97/63/07/599976307.db2.gz ZUYRIJBHIBLFEK-LLVKDONJSA-N -1 0 320.305 -0.008 20 0 DBADRM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC000316200026 599981136 /nfs/dbraw/zinc/98/11/36/599981136.db2.gz VAAKQFNSABHTHH-GRYCIOLGSA-N -1 0 311.382 -0.234 20 0 DBADRM COC(=O)C1C(=CC(=O)[O-])NC(=S)N[C@@H]1c1csnn1 ZINC000737578562 599985582 /nfs/dbraw/zinc/98/55/82/599985582.db2.gz FEQFABRUOOJQRP-MRVPVSSYSA-N -1 0 314.348 -0.041 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)CCO1 ZINC000320781370 599986316 /nfs/dbraw/zinc/98/63/16/599986316.db2.gz HXVBZNRCQBKRMA-SNVBAGLBSA-N -1 0 319.273 -0.113 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CNC(=O)c2ccc(O)cc2)CCO1 ZINC000738486140 599990120 /nfs/dbraw/zinc/99/01/20/599990120.db2.gz BDBQKGXJWZLJNR-LLVKDONJSA-N -1 0 308.290 -0.566 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)C1(C(=O)NC)CC1)C(=O)[O-] ZINC000736874563 599990422 /nfs/dbraw/zinc/99/04/22/599990422.db2.gz ALGCNNLPGDRUQX-SCZZXKLOSA-N -1 0 314.338 -0.329 20 0 DBADRM O=C([O-])COC(=O)CSc1nnnn1CC(F)(F)F ZINC000738615273 599991746 /nfs/dbraw/zinc/99/17/46/599991746.db2.gz GCKLZZLHIUEIIR-UHFFFAOYSA-N -1 0 300.218 -0.045 20 0 DBADRM Cc1[nH]nc2nc(C)cc(C(=O)OCC(=O)NCC(=O)[O-])c12 ZINC000738350381 599998450 /nfs/dbraw/zinc/99/84/50/599998450.db2.gz DDZFSTMKRGNOAV-UHFFFAOYSA-N -1 0 306.278 -0.068 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000737161737 600002520 /nfs/dbraw/zinc/00/25/20/600002520.db2.gz JRVAHIVWIIVANY-WOPDTQHZSA-N -1 0 300.355 -0.751 20 0 DBADRM CNC(=O)c1ccc(C(=O)OCC(=O)NCCC(=O)[O-])cn1 ZINC000737544451 600002781 /nfs/dbraw/zinc/00/27/81/600002781.db2.gz JXPPDTXBCPCHLF-UHFFFAOYSA-N -1 0 309.278 -0.811 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)NC(=O)OC(C)(C)C ZINC000737602953 600008062 /nfs/dbraw/zinc/00/80/62/600008062.db2.gz CFWCJNMBQCBCHA-MRVPVSSYSA-N -1 0 318.326 -0.014 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(OCC(N)=O)cc1 ZINC000737608843 600010251 /nfs/dbraw/zinc/01/02/51/600010251.db2.gz PHKDBUFNBXYKIJ-UHFFFAOYSA-N -1 0 324.289 -0.750 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)NC(=O)NCC(C)C ZINC000737615760 600012918 /nfs/dbraw/zinc/01/29/18/600012918.db2.gz QJBCFBYGFRLANN-UHFFFAOYSA-N -1 0 303.315 -0.972 20 0 DBADRM CCn1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)OC)cn1 ZINC000737302840 600015234 /nfs/dbraw/zinc/01/52/34/600015234.db2.gz ILFNDEHBFSLIRH-UHFFFAOYSA-N -1 0 305.312 -0.849 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCCN2CCCCC2=O)CCO1 ZINC000738546678 600024554 /nfs/dbraw/zinc/02/45/54/600024554.db2.gz LVAGTJMZOOWDLG-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCC(=O)N2CCCCC2)CCO1 ZINC000317520872 600034417 /nfs/dbraw/zinc/03/44/17/600034417.db2.gz HRUDIKIXFUIHOX-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)cn1C ZINC000050253214 600034733 /nfs/dbraw/zinc/03/47/33/600034733.db2.gz FTWZFXCCPFHNAD-UHFFFAOYSA-N -1 0 316.383 -0.490 20 0 DBADRM C[C@@H](CNC(=O)N1CCO[C@@H](C(=O)[O-])C1)N1CCOCC1 ZINC000736595270 600034984 /nfs/dbraw/zinc/03/49/84/600034984.db2.gz KKTDLVAKWGATFJ-WDEREUQCSA-N -1 0 301.343 -0.798 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000738441593 600036800 /nfs/dbraw/zinc/03/68/00/600036800.db2.gz AUTUINCTXGGVGF-LLVKDONJSA-N -1 0 307.306 -0.220 20 0 DBADRM C[C@H]1CN(CCNC(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC000736805957 600040113 /nfs/dbraw/zinc/04/01/13/600040113.db2.gz AJQDQPALLNRIGI-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)CC2 ZINC000738368361 600041030 /nfs/dbraw/zinc/04/10/30/600041030.db2.gz UQBFRVSNDTYDJV-NXEZZACHSA-N -1 0 309.326 -0.604 20 0 DBADRM NC(=O)c1cccc(CCNC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000738446877 600041132 /nfs/dbraw/zinc/04/11/32/600041132.db2.gz IBYDHDGLXVTAPC-GFCCVEGCSA-N -1 0 321.333 -0.177 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)C1(C(N)=O)CC1)C(=O)[O-] ZINC000736414042 600088008 /nfs/dbraw/zinc/08/80/08/600088008.db2.gz GEKNQHCJFUWGRX-QMMMGPOBSA-N -1 0 300.311 -0.589 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000262195711 600079419 /nfs/dbraw/zinc/07/94/19/600079419.db2.gz UALAZWYBDIMNRR-ZJUUUORDSA-N -1 0 304.368 -0.505 20 0 DBADRM CC(C)COC[C@H](O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000736445822 600085720 /nfs/dbraw/zinc/08/57/20/600085720.db2.gz NACMBJLBRDBNCB-SNVBAGLBSA-N -1 0 324.337 -0.289 20 0 DBADRM CC(C)OC[C@H](O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000736484668 600085748 /nfs/dbraw/zinc/08/57/48/600085748.db2.gz JCYADLUQJWKPNU-SECBINFHSA-N -1 0 310.310 -0.537 20 0 DBADRM CCCCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000736996224 600105561 /nfs/dbraw/zinc/10/55/61/600105561.db2.gz UUFRBFBMPZUBNM-NWDGAFQWSA-N -1 0 311.382 -0.232 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000736839446 600105883 /nfs/dbraw/zinc/10/58/83/600105883.db2.gz DTGBJXQUYSVPPP-SSDOTTSWSA-N -1 0 304.324 -0.958 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)NCCC(=O)[O-] ZINC000736839997 600105897 /nfs/dbraw/zinc/10/58/97/600105897.db2.gz QGEBKLRNWGUKIO-QMMMGPOBSA-N -1 0 318.351 -0.568 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000739543576 600107306 /nfs/dbraw/zinc/10/73/06/600107306.db2.gz BKOLPNSNLDEAIN-STQMWFEESA-N -1 0 323.393 -0.136 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NCC(=O)[O-])C1 ZINC000736280670 600111375 /nfs/dbraw/zinc/11/13/75/600111375.db2.gz IOFHIONKXXXPSN-SECBINFHSA-N -1 0 301.343 -0.214 20 0 DBADRM NS(=O)(=O)CCNC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000739191632 600115658 /nfs/dbraw/zinc/11/56/58/600115658.db2.gz FBCLSHUYKVGETJ-UHFFFAOYSA-N -1 0 300.336 -0.278 20 0 DBADRM O=C([O-])c1coc(C(=O)COC(=O)CN2C(=O)CCC2=O)c1 ZINC000739272689 600135958 /nfs/dbraw/zinc/13/59/58/600135958.db2.gz DYDDFFGJSURGST-UHFFFAOYSA-N -1 0 309.230 -0.147 20 0 DBADRM CN1CC(=O)N(CC(=O)OCC(=O)c2cc(C(=O)[O-])co2)C1=O ZINC000737506636 600138442 /nfs/dbraw/zinc/13/84/42/600138442.db2.gz ZYAHSTMUGKTSFF-UHFFFAOYSA-N -1 0 324.245 -0.402 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NCCOc1ccccc1 ZINC000318161735 600139859 /nfs/dbraw/zinc/13/98/59/600139859.db2.gz FCBMBFMXTFYEHW-YPMHNXCESA-N -1 0 308.334 -0.299 20 0 DBADRM NC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nc1 ZINC000739176618 600159643 /nfs/dbraw/zinc/15/96/43/600159643.db2.gz ISYIFXJLBQEWLO-MNOVXSKESA-N -1 0 318.333 -0.450 20 0 DBADRM NC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nc1 ZINC000739176615 600159665 /nfs/dbraw/zinc/15/96/65/600159665.db2.gz ISYIFXJLBQEWLO-GHMZBOCLSA-N -1 0 318.333 -0.450 20 0 DBADRM C[C@H](OC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC000736685336 600170181 /nfs/dbraw/zinc/17/01/81/600170181.db2.gz OALVFULELOISFX-HGNGGELXSA-N -1 0 312.322 -0.624 20 0 DBADRM C[C@H](OC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC000736685339 600170439 /nfs/dbraw/zinc/17/04/39/600170439.db2.gz OALVFULELOISFX-SFGNSQDASA-N -1 0 312.322 -0.624 20 0 DBADRM C[C@H](OC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)Nc1ncnc2[nH]cnc21 ZINC000736682694 600170823 /nfs/dbraw/zinc/17/08/23/600170823.db2.gz GLPIBYWCYOOEDA-LYFYHCNISA-N -1 0 319.277 -0.056 20 0 DBADRM COC(=O)C1CCN(C(=O)COC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000737582769 600174519 /nfs/dbraw/zinc/17/45/19/600174519.db2.gz DDZQNCGVFFZTNE-NXEZZACHSA-N -1 0 313.306 -0.338 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000737748349 600175716 /nfs/dbraw/zinc/17/57/16/600175716.db2.gz NERBDBBRLXECAE-RNJXMRFFSA-N -1 0 302.283 -0.889 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCCCC(=O)[O-])C1 ZINC000737552343 600178519 /nfs/dbraw/zinc/17/85/19/600178519.db2.gz LFUOQGYCZXXFPO-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)CCCCN2CCOCC2)n[nH]1 ZINC000739900243 600183698 /nfs/dbraw/zinc/18/36/98/600183698.db2.gz LGRWUDASXJFYEQ-UHFFFAOYSA-N -1 0 311.342 -0.127 20 0 DBADRM CCN1C[C@@H](C(=O)OCc2noc(CCC(=O)[O-])n2)CC1=O ZINC000737110890 600188310 /nfs/dbraw/zinc/18/83/10/600188310.db2.gz FXSJLNDPXSVYAR-QMMMGPOBSA-N -1 0 311.294 -0.002 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCOC[C@@H]2CCCO2)CCO1 ZINC000738546899 600189989 /nfs/dbraw/zinc/18/99/89/600189989.db2.gz SPXIJKRCWXLZOE-QWRGUYRKSA-N -1 0 302.327 -0.323 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N(CC(=O)[O-])c1ccccc1 ZINC000261724390 600197515 /nfs/dbraw/zinc/19/75/15/600197515.db2.gz NRKBOMVXYJEAMX-UHFFFAOYSA-N -1 0 307.306 -0.644 20 0 DBADRM CCN1CCN(CC(=O)N[C@](C)(C(=O)[O-])C2CC2)C(=O)C1=O ZINC000737116091 600199354 /nfs/dbraw/zinc/19/93/54/600199354.db2.gz SSNHZTRSXCTMLZ-AWEZNQCLSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@](NC(=O)c1ccc(S(N)(=O)=O)o1)(C(=O)[O-])C1CC1 ZINC000736656851 600201618 /nfs/dbraw/zinc/20/16/18/600201618.db2.gz MZAPMZFLXRZKCT-LLVKDONJSA-N -1 0 302.308 -0.090 20 0 DBADRM NC(=O)CNC(=O)c1cccc(OC(=O)CCCNC(=O)[O-])c1 ZINC000739163070 600203611 /nfs/dbraw/zinc/20/36/11/600203611.db2.gz NSXMLAGVXZIFOU-UHFFFAOYSA-N -1 0 323.305 -0.145 20 0 DBADRM COC(=O)NCCC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000737638710 600204194 /nfs/dbraw/zinc/20/41/94/600204194.db2.gz VURZVYFLYDAHHS-UHFFFAOYSA-N -1 0 316.310 -0.401 20 0 DBADRM COC(=O)C1CCN(C(=O)COC(=O)CCNC(=O)[O-])CC1 ZINC000737586412 600204271 /nfs/dbraw/zinc/20/42/71/600204271.db2.gz XVRVLDFSUYJMLX-UHFFFAOYSA-N -1 0 316.310 -0.401 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CCC(=O)N(C)CC(=O)[O-] ZINC000736746321 600218355 /nfs/dbraw/zinc/21/83/55/600218355.db2.gz JKADYBPQLNZLHN-NXEZZACHSA-N -1 0 306.384 -0.573 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1C[C@H](O)C[C@H]1C(=O)OC)C(=O)[O-] ZINC000736889331 600230694 /nfs/dbraw/zinc/23/06/94/600230694.db2.gz XDTOMZVCOGGCTK-MIZYBKAJSA-N -1 0 316.354 -0.790 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)Nc2ccc(=O)n(C)c2)c1C(=O)[O-] ZINC000738828376 600234348 /nfs/dbraw/zinc/23/43/48/600234348.db2.gz ABUWVJAWXNANQT-UHFFFAOYSA-N -1 0 312.307 -0.084 20 0 DBADRM O=C([O-])[C@@H]1CCCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000037435689 600237188 /nfs/dbraw/zinc/23/71/88/600237188.db2.gz DWTQQNGHEHKWQG-BDAKNGLRSA-N -1 0 307.393 -0.018 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000737220753 600237488 /nfs/dbraw/zinc/23/74/88/600237488.db2.gz NXIMUDDYXKCGAA-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)CCCC(=O)[O-] ZINC000736746653 600241245 /nfs/dbraw/zinc/24/12/45/600241245.db2.gz KMNASIRACANADT-IUCAKERBSA-N -1 0 313.397 -0.312 20 0 DBADRM C[C@@H]1[C@H](C)N(S(=O)(=O)CCCC(=O)[O-])CCS1(=O)=O ZINC000736746651 600241371 /nfs/dbraw/zinc/24/13/71/600241371.db2.gz KMNASIRACANADT-DTWKUNHWSA-N -1 0 313.397 -0.312 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CN1Cc2ccccc2C1=O ZINC000737565501 600241931 /nfs/dbraw/zinc/24/19/31/600241931.db2.gz JJEQYGGPUMFTGI-NSHDSACASA-N -1 0 320.301 -0.225 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000229079700 600242739 /nfs/dbraw/zinc/24/27/39/600242739.db2.gz PIADZPCBEBAGKQ-WDEREUQCSA-N -1 0 301.343 -0.798 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000166197402 600242771 /nfs/dbraw/zinc/24/27/71/600242771.db2.gz PIADZPCBEBAGKQ-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM COC(=O)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000737597905 600243378 /nfs/dbraw/zinc/24/33/78/600243378.db2.gz NAEJSRFXLSVORF-ZETCQYMHSA-N -1 0 304.299 -0.356 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)OC(C)(C)C ZINC000737566533 600243030 /nfs/dbraw/zinc/24/30/30/600243030.db2.gz LUCOMGMDPOTJPT-SSDOTTSWSA-N -1 0 304.299 -0.356 20 0 DBADRM CN(CCCC(=O)O[C@H]1CC(=O)N(CC(N)=O)C1)C(=O)[O-] ZINC000737433811 600243344 /nfs/dbraw/zinc/24/33/44/600243344.db2.gz YTTWLMOVMRPPJN-QMMMGPOBSA-N -1 0 301.299 -0.994 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N[C@H](CC(=O)[O-])C(=O)OC ZINC000736839416 600243351 /nfs/dbraw/zinc/24/33/51/600243351.db2.gz DEWSCYROCYWVIB-HTQZYQBOSA-N -1 0 318.351 -0.570 20 0 DBADRM NC(=O)CN1C[C@@H](OC(=O)c2ccc(C(=O)[O-])s2)CC1=O ZINC000739162984 600243446 /nfs/dbraw/zinc/24/34/46/600243446.db2.gz HYOUDOCLACDTFB-LURJTMIESA-N -1 0 312.303 -0.311 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc(C(N)=O)s1)C(=O)[O-] ZINC000737594267 600246099 /nfs/dbraw/zinc/24/60/99/600246099.db2.gz ZDUPUYZMAVZHCM-YFKPBYRVSA-N -1 0 300.292 -0.407 20 0 DBADRM Cn1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000096752007 600248520 /nfs/dbraw/zinc/24/85/20/600248520.db2.gz ZFJOJHKHBBXWKH-UHFFFAOYSA-N -1 0 317.301 -0.288 20 0 DBADRM NS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000739188924 600250167 /nfs/dbraw/zinc/25/01/67/600250167.db2.gz HCQVBAWAMOUVFT-UHFFFAOYSA-N -1 0 319.364 -0.592 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CNC(=O)OCC(F)(F)F)CCO1 ZINC000738486169 600251375 /nfs/dbraw/zinc/25/13/75/600251375.db2.gz CCHHJRYGSAKHQK-LURJTMIESA-N -1 0 314.216 -0.413 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(OC)cc1 ZINC000737568205 600254833 /nfs/dbraw/zinc/25/48/33/600254833.db2.gz VFTFAXBBWGEGEU-SNVBAGLBSA-N -1 0 324.289 -0.234 20 0 DBADRM COC(=O)C[C@H](NC(=O)C(=O)Nc1ccc(OC)cc1)C(=O)[O-] ZINC000737598834 600254939 /nfs/dbraw/zinc/25/49/39/600254939.db2.gz RMLSJZVJJYNFMB-JTQLQIEISA-N -1 0 324.289 -0.234 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC000683304554 600258809 /nfs/dbraw/zinc/25/88/09/600258809.db2.gz VFVWAMPQAQQLCY-VIFPVBQESA-N -1 0 313.335 -0.457 20 0 DBADRM CCO[C@H](C)c1noc(CN2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC000737156353 600261130 /nfs/dbraw/zinc/26/11/30/600261130.db2.gz DLAKLMMBPVEJII-RKDXNWHRSA-N -1 0 312.326 -0.058 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CCCn1ccnc1 ZINC000739785639 600261979 /nfs/dbraw/zinc/26/19/79/600261979.db2.gz QPNNKPBIAZVWBL-UHFFFAOYSA-N -1 0 324.381 -0.091 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1ccc[n+]([O-])c1 ZINC000739787304 600263481 /nfs/dbraw/zinc/26/34/81/600263481.db2.gz ZXWUFVILXDNMNL-UHFFFAOYSA-N -1 0 309.322 -0.821 20 0 DBADRM CCO[C@H]1C[C@@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737164206 600263490 /nfs/dbraw/zinc/26/34/90/600263490.db2.gz AYDMQHHZUOGLDL-RYUDHWBXSA-N -1 0 300.355 -0.343 20 0 DBADRM CCO[C@H]1C[C@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737164204 600263496 /nfs/dbraw/zinc/26/34/96/600263496.db2.gz AYDMQHHZUOGLDL-NEPJUHHUSA-N -1 0 300.355 -0.343 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)/C=C/c1cnccn1 ZINC000739785090 600265054 /nfs/dbraw/zinc/26/50/54/600265054.db2.gz JUYRJFBLFHINHF-OWOJBTEDSA-N -1 0 320.349 -0.265 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000739552221 600289010 /nfs/dbraw/zinc/28/90/10/600289010.db2.gz HZNMOTGBWVEMHY-UWVGGRQHSA-N -1 0 322.321 -0.599 20 0 DBADRM CCN(CC)C(=O)N1CCN(CCC(=O)NCC(=O)[O-])CC1 ZINC000737080286 600290006 /nfs/dbraw/zinc/29/00/06/600290006.db2.gz ZZHUDENQJCKJHA-UHFFFAOYSA-N -1 0 314.386 -0.343 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737349832 600299018 /nfs/dbraw/zinc/29/90/18/600299018.db2.gz HNQMSMRASAQOSM-UHFFFAOYSA-N -1 0 311.269 -0.333 20 0 DBADRM NC(=O)[C@H]1c2ccccc2CCN1CCC(=O)NCC(=O)[O-] ZINC000739160883 600308058 /nfs/dbraw/zinc/30/80/58/600308058.db2.gz QHXLEGWMBXRMGN-CQSZACIVSA-N -1 0 305.334 -0.338 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)n(C)n1 ZINC000737255082 600320193 /nfs/dbraw/zinc/32/01/93/600320193.db2.gz TUWXEDSULPJGBH-SECBINFHSA-N -1 0 310.310 -0.767 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)nc2)CCO1 ZINC000739471447 600320684 /nfs/dbraw/zinc/32/06/84/600320684.db2.gz KYAREOKZODIGCE-QMMMGPOBSA-N -1 0 313.697 -0.015 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCOCCO)ccc1C(=O)[O-] ZINC000738414746 600329965 /nfs/dbraw/zinc/32/99/65/600329965.db2.gz CISFZEWMSFETCH-UHFFFAOYSA-N -1 0 310.306 -0.243 20 0 DBADRM COC(=O)CCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000737599078 600333183 /nfs/dbraw/zinc/33/31/83/600333183.db2.gz PHEBYZDXUSQLBW-UHFFFAOYSA-N -1 0 308.290 -0.069 20 0 DBADRM CNC(=O)c1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1C ZINC000737551264 600333354 /nfs/dbraw/zinc/33/33/54/600333354.db2.gz FIPOMNPENMDZLI-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1-n1cnnn1 ZINC000738279278 600335078 /nfs/dbraw/zinc/33/50/78/600335078.db2.gz RUBZOIHFCXTVFT-UHFFFAOYSA-N -1 0 318.293 -0.500 20 0 DBADRM CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000737350149 600335384 /nfs/dbraw/zinc/33/53/84/600335384.db2.gz URONRCWYKJLTSQ-UHFFFAOYSA-N -1 0 321.333 -0.153 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1)C(=O)[O-] ZINC000736587398 600345280 /nfs/dbraw/zinc/34/52/80/600345280.db2.gz AIUJUHGVPALADS-QMMMGPOBSA-N -1 0 307.306 -0.510 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000736589318 600346610 /nfs/dbraw/zinc/34/66/10/600346610.db2.gz YTLPZHDKPCSZCM-MRVPVSSYSA-N -1 0 323.305 -0.674 20 0 DBADRM CC(C)(O)CNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736343977 600347550 /nfs/dbraw/zinc/34/75/50/600347550.db2.gz MPNRUTZKBHZLJA-UHFFFAOYSA-N -1 0 310.306 -0.024 20 0 DBADRM C[C@H](CN(C)C(=O)CN(C)c1ncnc2nc[nH]c21)C(=O)[O-] ZINC000263170903 600360277 /nfs/dbraw/zinc/36/02/77/600360277.db2.gz JIKQYCALLBQNDK-MRVPVSSYSA-N -1 0 306.326 -0.032 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737350937 600360291 /nfs/dbraw/zinc/36/02/91/600360291.db2.gz XNPOLMPDYAYVIO-UHFFFAOYSA-N -1 0 322.321 -0.403 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC000737605680 600366532 /nfs/dbraw/zinc/36/65/32/600366532.db2.gz SPISDFZZYSHLKK-SECBINFHSA-N -1 0 314.338 -0.233 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)COC(=O)[C@@H]1CNC(=O)N1 ZINC000738527718 600368302 /nfs/dbraw/zinc/36/83/02/600368302.db2.gz AOJGVUVLTNYVDC-JTQLQIEISA-N -1 0 321.289 -0.144 20 0 DBADRM O=C(COC(=O)[C@@H]1CNC(=O)N1)Nc1ccsc1C(=O)[O-] ZINC000739324556 600368401 /nfs/dbraw/zinc/36/84/01/600368401.db2.gz XZSNYBNRBCSALO-LURJTMIESA-N -1 0 313.291 -0.391 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCCN(C(N)=O)CC1)C(=O)[O-] ZINC000736877651 600373593 /nfs/dbraw/zinc/37/35/93/600373593.db2.gz KIDWQCDGTHTMCZ-CMPLNLGQSA-N -1 0 314.386 -0.312 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCCN(C(N)=O)CC1)C(=O)[O-] ZINC000736413881 600373612 /nfs/dbraw/zinc/37/36/12/600373612.db2.gz VUXYCAHPDWNHFV-NSHDSACASA-N -1 0 314.386 -0.312 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCCN(C(N)=O)CC1)C(=O)[O-] ZINC000736877657 600373861 /nfs/dbraw/zinc/37/38/61/600373861.db2.gz KIDWQCDGTHTMCZ-PWSUYJOCSA-N -1 0 314.386 -0.312 20 0 DBADRM C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000737676890 600387362 /nfs/dbraw/zinc/38/73/62/600387362.db2.gz RPZAKTITXSVPKO-CIUDSAMLSA-N -1 0 302.327 -0.054 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)Cc1cccnc1 ZINC000739785343 600394463 /nfs/dbraw/zinc/39/44/63/600394463.db2.gz DVGFICJCPBTHQV-UHFFFAOYSA-N -1 0 307.350 -0.131 20 0 DBADRM CC(C)(CNS(=O)(=O)CCCC(=O)[O-])N1CCOCC1 ZINC000736323417 600401002 /nfs/dbraw/zinc/40/10/02/600401002.db2.gz CGMUFCIIDIFFOX-UHFFFAOYSA-N -1 0 308.400 -0.119 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000737350980 600413769 /nfs/dbraw/zinc/41/37/69/600413769.db2.gz ZRWXMYVLDNLGTM-SNVBAGLBSA-N -1 0 319.317 -0.594 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC000737515470 600418948 /nfs/dbraw/zinc/41/89/48/600418948.db2.gz JFRRIUKXZBLNBR-UHFFFAOYSA-N -1 0 320.349 -0.326 20 0 DBADRM CCN(CCC(=O)[O-])Cn1cc(S(=O)(=O)N(C)C)cn1 ZINC000737096868 600424725 /nfs/dbraw/zinc/42/47/25/600424725.db2.gz RKBVDGFEIZDZJC-UHFFFAOYSA-N -1 0 304.372 -0.113 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N(C)CC(=O)NCc1ccccc1 ZINC000736206754 600439128 /nfs/dbraw/zinc/43/91/28/600439128.db2.gz DYCUWLPXLXGOMT-NSHDSACASA-N -1 0 307.350 -0.176 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C[C@@H](O)COCc1ccccc1 ZINC000309578852 600454153 /nfs/dbraw/zinc/45/41/53/600454153.db2.gz RJJSINKNNPLOGN-KGLIPLIRSA-N -1 0 322.361 -0.161 20 0 DBADRM CN(Cc1cc[nH]n1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000400083809 600463244 /nfs/dbraw/zinc/46/32/44/600463244.db2.gz OTADFPVPUWPPNP-UHFFFAOYSA-N -1 0 302.356 -0.117 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN(C)[C@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000736878116 600467973 /nfs/dbraw/zinc/46/79/73/600467973.db2.gz LLUOIBOYHJURFM-HOSYDEDBSA-N -1 0 322.427 -0.033 20 0 DBADRM Cc1cc(C(=O)O[C@@H](C)C(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000738216616 600469521 /nfs/dbraw/zinc/46/95/21/600469521.db2.gz HCIYVQRSRFXYJK-ZETCQYMHSA-N -1 0 321.289 -0.429 20 0 DBADRM COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000737753460 600472035 /nfs/dbraw/zinc/47/20/35/600472035.db2.gz LUXFYGSPTGLNLW-NSHDSACASA-N -1 0 310.306 -0.624 20 0 DBADRM C[C@@H](Sc1nnc(-c2ccccn2)n1N)C(=O)NCC(=O)[O-] ZINC000736714875 600473878 /nfs/dbraw/zinc/47/38/78/600473878.db2.gz KBSQSIXGQHCGDO-SSDOTTSWSA-N -1 0 322.350 -0.265 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1cnnc1[S@@](C)=O)C(=O)[O-] ZINC000736872547 600475757 /nfs/dbraw/zinc/47/57/57/600475757.db2.gz IGRXPWRKGDNULZ-JAEIOKQQSA-N -1 0 302.356 -0.369 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC000049062035 600496387 /nfs/dbraw/zinc/49/63/87/600496387.db2.gz MIRYCCLKVHGYLF-UHFFFAOYSA-N -1 0 322.383 -0.638 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[C@H]1Cn1cncn1 ZINC000738585353 600499890 /nfs/dbraw/zinc/49/98/90/600499890.db2.gz SMFJYGKAIQUATM-JTQLQIEISA-N -1 0 302.356 -0.063 20 0 DBADRM C[C@H](CNC(=O)N1CCO[C@@H](C(=O)[O-])C1)CN1CCOCC1 ZINC000736594785 600502106 /nfs/dbraw/zinc/50/21/06/600502106.db2.gz GBVDLMXYQSMIEC-VXGBXAGGSA-N -1 0 315.370 -0.550 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c(=O)n(C)c1=O ZINC000739027568 600531683 /nfs/dbraw/zinc/53/16/83/600531683.db2.gz PXSKIHVFAFNGTL-ZADCQDASSA-N -1 0 323.349 -0.287 20 0 DBADRM Cn1nnnc1SCCC(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000739062689 600534174 /nfs/dbraw/zinc/53/41/74/600534174.db2.gz XZOIWWMDNOYGGK-UHFFFAOYSA-N -1 0 312.315 -0.924 20 0 DBADRM CN(CCN1CCCC1=O)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000737441944 600542793 /nfs/dbraw/zinc/54/27/93/600542793.db2.gz RKJDTEBLPWSXQP-UHFFFAOYSA-N -1 0 311.382 -0.136 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1C ZINC000738932288 600550277 /nfs/dbraw/zinc/55/02/77/600550277.db2.gz SXOPXCAWDHOSJX-WDEREUQCSA-N -1 0 307.354 -0.512 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N[C@@H](CO)C2CC2)c1 ZINC000738615523 600551408 /nfs/dbraw/zinc/55/14/08/600551408.db2.gz JDCJXWRBZZSFOC-LBPRGKRZSA-N -1 0 322.317 -0.024 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N[C@H](CO)C2CC2)cc1 ZINC000739823965 600551789 /nfs/dbraw/zinc/55/17/89/600551789.db2.gz PFTZBXFPWUHINV-GFCCVEGCSA-N -1 0 322.317 -0.024 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)NCCCCCCC(=O)[O-])C1=O ZINC000737505686 600552536 /nfs/dbraw/zinc/55/25/36/600552536.db2.gz GKBOTSQWJSNDBJ-UHFFFAOYSA-N -1 0 313.310 -0.442 20 0 DBADRM CC(C)N(CCC(=O)[O-])C(=O)CN1CCS(=O)(=O)CC1 ZINC000736461359 600560469 /nfs/dbraw/zinc/56/04/69/600560469.db2.gz PEZCHZIFDAMDEC-UHFFFAOYSA-N -1 0 306.384 -0.572 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CCC(C(=O)[O-])CC1 ZINC000736477081 600563379 /nfs/dbraw/zinc/56/33/79/600563379.db2.gz CEISKZNHAGPROH-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC000737591227 600568171 /nfs/dbraw/zinc/56/81/71/600568171.db2.gz LBJOJRTZJINGRZ-ZCFIWIBFSA-N -1 0 319.291 -0.571 20 0 DBADRM COc1ccccc1NCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000738138412 600570340 /nfs/dbraw/zinc/57/03/40/600570340.db2.gz WUJMRUUGVCROMM-LLVKDONJSA-N -1 0 321.333 -0.091 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000737387233 600583135 /nfs/dbraw/zinc/58/31/35/600583135.db2.gz QUSMYROOIUQHKK-JTQLQIEISA-N -1 0 308.356 -0.873 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)c1cccc(C(=O)[O-])n1 ZINC000737768065 600592789 /nfs/dbraw/zinc/59/27/89/600592789.db2.gz NKEQQVDLAGTREM-UHFFFAOYSA-N -1 0 309.322 -0.043 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)NCCSCC(=O)[O-] ZINC000389436803 600600606 /nfs/dbraw/zinc/60/06/06/600600606.db2.gz DMHBCQCZMOLTHE-QMMMGPOBSA-N -1 0 310.397 -0.367 20 0 DBADRM Cn1cc([C@@H]2[C@@H](C(=O)NCCC(=O)[O-])CCC(=O)N2C)cn1 ZINC000737506441 600614036 /nfs/dbraw/zinc/61/40/36/600614036.db2.gz BOVILJJDCYAEEJ-GXFFZTMASA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(CCC(=O)NCC(=O)[O-])C1CC1 ZINC000736607862 600642260 /nfs/dbraw/zinc/64/22/60/600642260.db2.gz YXYVZGOFPYWBCQ-VIFPVBQESA-N -1 0 306.384 -0.525 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)CN1CCC(=O)NC1=O ZINC000221241438 600666510 /nfs/dbraw/zinc/66/65/10/600666510.db2.gz JRMWGFWWKCKHQN-MRVPVSSYSA-N -1 0 315.351 -0.653 20 0 DBADRM COc1cc[nH]c(=NNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC000751270003 600674572 /nfs/dbraw/zinc/67/45/72/600674572.db2.gz UAMSIYJPIMFZBW-UHFFFAOYSA-N -1 0 313.295 -0.183 20 0 DBADRM COC(=O)N[C@H](C(=O)O[C@H](C)C(=O)NCC(=O)[O-])C(C)C ZINC000831204299 600675880 /nfs/dbraw/zinc/67/58/80/600675880.db2.gz RAQLKPBUJREMNX-APPZFPTMSA-N -1 0 304.299 -0.501 20 0 DBADRM Nc1ccccc1-n1ccc(C(=O)OCC(=O)NCC(=O)[O-])n1 ZINC000821369301 600678278 /nfs/dbraw/zinc/67/82/78/600678278.db2.gz PLAMLPGRRVVKEE-UHFFFAOYSA-N -1 0 318.289 -0.188 20 0 DBADRM CC(=O)N[C@@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1)C(N)=O ZINC000736155540 600681390 /nfs/dbraw/zinc/68/13/90/600681390.db2.gz IGDYVVNEDTYGBA-JTQLQIEISA-N -1 0 311.269 -0.158 20 0 DBADRM NC(=O)C1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000019998812 600686984 /nfs/dbraw/zinc/68/69/84/600686984.db2.gz KHLOQSBLBGQQCF-UHFFFAOYSA-N -1 0 301.324 -0.401 20 0 DBADRM C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCO)s1)C(=O)[O-] ZINC000820182699 600687136 /nfs/dbraw/zinc/68/71/36/600687136.db2.gz DRJMMKOWZUDRBC-LURJTMIESA-N -1 0 323.348 -0.351 20 0 DBADRM CN(CC(=O)N1CCCC1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037837965 600697103 /nfs/dbraw/zinc/69/71/03/600697103.db2.gz NBLWAORNZSAQOE-UHFFFAOYSA-N -1 0 315.351 -0.044 20 0 DBADRM CS(=O)(=O)NCCC(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000738164884 600698096 /nfs/dbraw/zinc/69/80/96/600698096.db2.gz GGLUYFSEJVPFTR-MRVPVSSYSA-N -1 0 310.397 -0.656 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1CCOCC1 ZINC000831073878 600700613 /nfs/dbraw/zinc/70/06/13/600700613.db2.gz SGQATAOQTOXODI-SECBINFHSA-N -1 0 309.340 -0.651 20 0 DBADRM COC[C@@](C)(O)C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000831637869 600702128 /nfs/dbraw/zinc/70/21/28/600702128.db2.gz NFAKVMCBNZVINQ-CYBMUJFWSA-N -1 0 317.338 -0.169 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)[C@@H]1CCCO1 ZINC000035734753 600704334 /nfs/dbraw/zinc/70/43/34/600704334.db2.gz MWSDJVANXWEVIG-SCZZXKLOSA-N -1 0 303.340 -0.187 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)[O-] ZINC000819023660 600704750 /nfs/dbraw/zinc/70/47/50/600704750.db2.gz VTFMEQBFIYAOSK-SSDOTTSWSA-N -1 0 319.339 -0.668 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N(C)CCC(=O)[O-])cn1 ZINC000261733650 600709978 /nfs/dbraw/zinc/70/99/78/600709978.db2.gz SXHYTJRVHXPSQZ-UHFFFAOYSA-N -1 0 305.312 -0.849 20 0 DBADRM CCN(CCC(=O)[O-])S(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000829705026 600719570 /nfs/dbraw/zinc/71/95/70/600719570.db2.gz LSDRGOGCFUSXDG-UHFFFAOYSA-N -1 0 319.339 -0.459 20 0 DBADRM C[C@H](OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C(=O)[O-] ZINC000820183168 600722851 /nfs/dbraw/zinc/72/28/51/600722851.db2.gz WYPUAOQQHKYBON-ZETCQYMHSA-N -1 0 315.303 -0.425 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(=O)OC ZINC000828699910 600730743 /nfs/dbraw/zinc/73/07/43/600730743.db2.gz DMTURDNPJLOZBF-LLVKDONJSA-N -1 0 319.339 -0.412 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCO1 ZINC000133025528 600737899 /nfs/dbraw/zinc/73/78/99/600737899.db2.gz SINGPFCUCRIHNT-VIFPVBQESA-N -1 0 318.307 -0.725 20 0 DBADRM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000831709496 600741028 /nfs/dbraw/zinc/74/10/28/600741028.db2.gz ATVFMNSYZHFTQL-ZETCQYMHSA-N -1 0 319.339 -0.776 20 0 DBADRM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000110687059 600741953 /nfs/dbraw/zinc/74/19/53/600741953.db2.gz OFIUDHWHEJVFEC-VIFPVBQESA-N -1 0 301.324 -0.388 20 0 DBADRM CC1(C)C(=O)NCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000110661369 600742789 /nfs/dbraw/zinc/74/27/89/600742789.db2.gz BZCJRIHIXUUVIS-UHFFFAOYSA-N -1 0 301.324 -0.388 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC3(C2)OCCO3)c[nH]1 ZINC000396460520 600743006 /nfs/dbraw/zinc/74/30/06/600743006.db2.gz CYIBDMHBQNHGII-UHFFFAOYSA-N -1 0 302.308 -0.150 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC3(C2)OCCO3)cn1 ZINC000396528135 600743066 /nfs/dbraw/zinc/74/30/66/600743066.db2.gz HPJBBTONASVWPQ-UHFFFAOYSA-N -1 0 317.323 -0.895 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c[nH]1 ZINC000833303676 600747549 /nfs/dbraw/zinc/74/75/49/600747549.db2.gz UYILMOOQRWTHGO-SSDOTTSWSA-N -1 0 311.323 -0.402 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c[nH]1 ZINC000833303677 600747656 /nfs/dbraw/zinc/74/76/56/600747656.db2.gz UYILMOOQRWTHGO-ZETCQYMHSA-N -1 0 311.323 -0.402 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCS1(=O)=O ZINC000707472042 600754934 /nfs/dbraw/zinc/75/49/34/600754934.db2.gz BVFYTEWBDICZEW-ZETCQYMHSA-N -1 0 322.364 -0.480 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(=O)NC2CC2)cc1C(=O)[O-] ZINC000035207925 600767394 /nfs/dbraw/zinc/76/73/94/600767394.db2.gz SDJKZUSUVYDYCB-UHFFFAOYSA-N -1 0 301.324 -0.720 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CCCCNC2=O)cc1C(=O)[O-] ZINC000037028115 600769280 /nfs/dbraw/zinc/76/92/80/600769280.db2.gz AYNCWBHRQQKGCB-VIFPVBQESA-N -1 0 315.351 -0.330 20 0 DBADRM COCCOC[C@@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000831762928 600770347 /nfs/dbraw/zinc/77/03/47/600770347.db2.gz MHOZICQPLUTAAR-SNVBAGLBSA-N -1 0 324.399 -0.331 20 0 DBADRM CCNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000037838296 600772586 /nfs/dbraw/zinc/77/25/86/600772586.db2.gz PNOLFDDBMNNIKU-UHFFFAOYSA-N -1 0 303.340 -0.520 20 0 DBADRM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000110687046 600780631 /nfs/dbraw/zinc/78/06/31/600780631.db2.gz BSJHIRIEOXJYHY-SECBINFHSA-N -1 0 315.351 -0.378 20 0 DBADRM Cn1cc(/C=C\C(=O)NC(C)(C)CC(=O)[O-])c(=O)n(C)c1=O ZINC000739025894 600790301 /nfs/dbraw/zinc/79/03/01/600790301.db2.gz FVWJFHWHQIAHFX-WAYWQWQTSA-N -1 0 309.322 -0.533 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(c2ccc(C(=O)[O-])nn2)C1 ZINC000833089692 600802768 /nfs/dbraw/zinc/80/27/68/600802768.db2.gz ULMARGYKXWBAKL-QMMMGPOBSA-N -1 0 300.340 -0.320 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000322232435 600815495 /nfs/dbraw/zinc/81/54/95/600815495.db2.gz YIRVEQCCGXIBCF-MRVPVSSYSA-N -1 0 322.321 -0.114 20 0 DBADRM COC(=O)CCNC(=O)c1cc(C(=O)NCCC(=O)[O-])ccn1 ZINC000737599075 600816019 /nfs/dbraw/zinc/81/60/19/600816019.db2.gz PCGDLTKENZQJDB-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1nc(CC(F)(F)F)no1 ZINC000833208180 600816641 /nfs/dbraw/zinc/81/66/41/600816641.db2.gz VKFWGUQXCGNSFX-ZCFIWIBFSA-N -1 0 322.243 -0.051 20 0 DBADRM CCn1nc2c(cc1=O)CN(CC(=O)NCCC(=O)[O-])CC2 ZINC000830445942 600827176 /nfs/dbraw/zinc/82/71/76/600827176.db2.gz VNYSQZSGYJUSDX-UHFFFAOYSA-N -1 0 308.338 -0.788 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCSc1n[nH]c(C)n1 ZINC000831170212 600838348 /nfs/dbraw/zinc/83/83/48/600838348.db2.gz JNNUMGOWWRQICW-UHFFFAOYSA-N -1 0 316.339 -0.318 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CCOC[C@H]1CCCO1)c2=O ZINC000833277036 600839176 /nfs/dbraw/zinc/83/91/76/600839176.db2.gz ZRKYCOLYMKIOHG-SNVBAGLBSA-N -1 0 322.321 -0.127 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)NCCCO)cc1C(=O)[O-] ZINC000831393498 600863452 /nfs/dbraw/zinc/86/34/52/600863452.db2.gz NIAGZMARBACPKB-UHFFFAOYSA-N -1 0 324.289 -0.392 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)c1ccc(C(=O)[O-])cn1 ZINC000738153736 600871813 /nfs/dbraw/zinc/87/18/13/600871813.db2.gz ZIIQZZYDBGYUJD-UHFFFAOYSA-N -1 0 316.335 -0.429 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000111476623 600874958 /nfs/dbraw/zinc/87/49/58/600874958.db2.gz KRTXVCHIRWLQOH-GHMZBOCLSA-N -1 0 318.395 -0.019 20 0 DBADRM NC(=O)Cn1cc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)nn1 ZINC000833083109 600883036 /nfs/dbraw/zinc/88/30/36/600883036.db2.gz NRAXIIDNUWVMCR-SECBINFHSA-N -1 0 315.289 -0.408 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)CC1SC(=N)NC1=O ZINC000831725115 600885068 /nfs/dbraw/zinc/88/50/68/600885068.db2.gz OIYRADYVMPYDGH-ZETCQYMHSA-N -1 0 303.340 -0.507 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc3n[nH]cc3c2)CCO1 ZINC000819214938 600886738 /nfs/dbraw/zinc/88/67/38/600886738.db2.gz QXJJWUCYMBYVEP-NSHDSACASA-N -1 0 318.289 -0.187 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000390228137 600887992 /nfs/dbraw/zinc/88/79/92/600887992.db2.gz GGZQJLUBMRYIOH-UWVGGRQHSA-N -1 0 306.384 -0.067 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccccn2)CC1=O ZINC000831741026 600905817 /nfs/dbraw/zinc/90/58/17/600905817.db2.gz KGIOHDAGELMQNG-GWCFXTLKSA-N -1 0 321.333 -0.182 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCN1C(=O)CCC1=O)c1ccccn1 ZINC000833099526 600909545 /nfs/dbraw/zinc/90/95/45/600909545.db2.gz RAVAFIGJIPANNA-CYBMUJFWSA-N -1 0 305.290 -0.137 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)n1C ZINC000833018217 600925393 /nfs/dbraw/zinc/92/53/93/600925393.db2.gz ODRVOPRRQQKLGV-NSHDSACASA-N -1 0 309.370 -0.121 20 0 DBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)OCC(=O)[O-])cc1 ZINC000819116866 600941860 /nfs/dbraw/zinc/94/18/60/600941860.db2.gz DOQJVHWRIGJLMO-UHFFFAOYSA-N -1 0 301.276 -0.813 20 0 DBADRM CN1CCO[C@H](C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)C1 ZINC000830960636 600955117 /nfs/dbraw/zinc/95/51/17/600955117.db2.gz VJUWDRKSIOVTBA-RYUDHWBXSA-N -1 0 300.355 -0.201 20 0 DBADRM N=C1NC(=O)C(CC(=O)N(CC(=O)[O-])C2CCOCC2)S1 ZINC000833089495 600957717 /nfs/dbraw/zinc/95/77/17/600957717.db2.gz PHQMHMBOSGZZOU-MRVPVSSYSA-N -1 0 315.351 -0.365 20 0 DBADRM N=C1NC(=O)C(CC(=O)N(CC(=O)[O-])C2CCOCC2)S1 ZINC000833089496 600957812 /nfs/dbraw/zinc/95/78/12/600957812.db2.gz PHQMHMBOSGZZOU-QMMMGPOBSA-N -1 0 315.351 -0.365 20 0 DBADRM CS(=O)(=O)NCCC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000832695836 600964249 /nfs/dbraw/zinc/96/42/49/600964249.db2.gz VRDDQDBPNARZMX-UHFFFAOYSA-N -1 0 322.383 -0.592 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000827768180 600965865 /nfs/dbraw/zinc/96/58/65/600965865.db2.gz NXHIEMPVANRYRA-YUMQZZPRSA-N -1 0 310.397 -0.657 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=S)NCCN2CCOCC2)C1 ZINC000833292337 600972633 /nfs/dbraw/zinc/97/26/33/600972633.db2.gz XUZPXNOMSARBAV-NSHDSACASA-N -1 0 301.412 -0.010 20 0 DBADRM CN1CCO[C@@H](C(=O)N(CCC(=O)[O-])C2CCOCC2)C1 ZINC000830960028 600978172 /nfs/dbraw/zinc/97/81/72/600978172.db2.gz DXLNXXDVGOOLFN-GFCCVEGCSA-N -1 0 300.355 -0.201 20 0 DBADRM CCNC(=O)NC(=O)Cn1nnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000737121023 600990158 /nfs/dbraw/zinc/99/01/58/600990158.db2.gz CEPLNBUEDNYNBG-UHFFFAOYSA-N -1 0 318.293 -0.116 20 0 DBADRM C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000088769740 600993936 /nfs/dbraw/zinc/99/39/36/600993936.db2.gz JPEROHAXVWYFBB-IUCAKERBSA-N -1 0 307.372 -0.777 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(c2cncc(C(=O)[O-])n2)CC1 ZINC000825999530 600999290 /nfs/dbraw/zinc/99/92/90/600999290.db2.gz CZKHKCCIAGIIKS-SNVBAGLBSA-N -1 0 319.365 -0.036 20 0 DBADRM COCCNC(=O)CN1CCN(c2cncc(C(=O)[O-])n2)CC1 ZINC000831745991 600999406 /nfs/dbraw/zinc/99/94/06/600999406.db2.gz UQHOYZFXSINPNP-UHFFFAOYSA-N -1 0 323.353 -0.941 20 0 DBADRM COc1ccc([C@@H](NCc2nc(N)nc(N)n2)C(=O)[O-])cc1 ZINC000832252044 601005344 /nfs/dbraw/zinc/00/53/44/601005344.db2.gz GFGKNBRBQUATIF-SNVBAGLBSA-N -1 0 304.310 -0.040 20 0 DBADRM C[C@H](NC(=O)CN1CCSC[C@@H]1CC(=O)[O-])C(=O)N(C)C ZINC000827631164 601020299 /nfs/dbraw/zinc/02/02/99/601020299.db2.gz ZAHMJMLNUJNCPV-UWVGGRQHSA-N -1 0 317.411 -0.529 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000322414253 601055309 /nfs/dbraw/zinc/05/53/09/601055309.db2.gz WXTNUYZWABFYHU-LLVKDONJSA-N -1 0 321.289 -0.061 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N[C@H]2CCCS(=O)(=O)C2)n1 ZINC000833275257 601057442 /nfs/dbraw/zinc/05/74/42/601057442.db2.gz CCBYPJLCEMOZAG-QMMMGPOBSA-N -1 0 316.339 -0.334 20 0 DBADRM COCCN1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000831746435 601061408 /nfs/dbraw/zinc/06/14/08/601061408.db2.gz XOUZSLNWKOIDRR-UHFFFAOYSA-N -1 0 311.342 -0.236 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC000829785713 601062325 /nfs/dbraw/zinc/06/23/25/601062325.db2.gz DINHSJSVOMQZIS-JTQLQIEISA-N -1 0 311.342 -0.190 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NCCN2C(=O)CCC2=O)n1 ZINC000833275275 601062508 /nfs/dbraw/zinc/06/25/08/601062508.db2.gz CHFQAGIQLOUSOH-UHFFFAOYSA-N -1 0 309.282 -0.762 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc2n[nH]cc2c1 ZINC000316071808 601081197 /nfs/dbraw/zinc/08/11/97/601081197.db2.gz KTPBTBHUIHTIQG-NSHDSACASA-N -1 0 302.290 -0.022 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 ZINC000827354724 601095230 /nfs/dbraw/zinc/09/52/30/601095230.db2.gz GXYPMLFEAZLVMR-NXEZZACHSA-N -1 0 306.384 -0.573 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC000738179519 601093533 /nfs/dbraw/zinc/09/35/33/601093533.db2.gz JSVPXPVXONXKNS-FQEVSTJZSA-N -1 0 322.452 -0.283 20 0 DBADRM C[C@@H](OC(=O)C[C@](C)(O)C(F)(F)F)C(=O)NCC(=O)[O-] ZINC000827824943 601097876 /nfs/dbraw/zinc/09/78/76/601097876.db2.gz BQEANLWRGPAMEC-ANLVUFKYSA-N -1 0 301.217 -0.178 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCN2CCCC[C@@H]2C1 ZINC000088769540 601099002 /nfs/dbraw/zinc/09/90/02/601099002.db2.gz LZCOCJHUEARLJG-LLVKDONJSA-N -1 0 305.400 -0.192 20 0 DBADRM Cc1nc([C@@H]2CN(CCC(=O)N(C)CC(=O)[O-])CCO2)n[nH]1 ZINC000738823851 601105616 /nfs/dbraw/zinc/10/56/16/601105616.db2.gz PMFGULZEKAYAEF-JTQLQIEISA-N -1 0 311.342 -0.580 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCO[C@H](CNc2cccnn2)C1 ZINC000736209164 601106378 /nfs/dbraw/zinc/10/63/78/601106378.db2.gz QBUYDNSFSBHUJJ-WDEREUQCSA-N -1 0 323.353 -0.821 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCO[C@@H](CNc2cccnn2)C1 ZINC000739808201 601107434 /nfs/dbraw/zinc/10/74/34/601107434.db2.gz ZNKQWDDRYWYXBB-NSHDSACASA-N -1 0 323.353 -0.820 20 0 DBADRM O=C([O-])CSCCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000389465029 601108348 /nfs/dbraw/zinc/10/83/48/601108348.db2.gz IAKJWHLYGCLZIG-LLVKDONJSA-N -1 0 317.411 -0.080 20 0 DBADRM CC(=O)NC1(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])CCCCC1 ZINC000825863044 601113003 /nfs/dbraw/zinc/11/30/03/601113003.db2.gz FYIPJXDCBLSADM-VIFPVBQESA-N -1 0 314.338 -0.042 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)nn1 ZINC000739159972 601116048 /nfs/dbraw/zinc/11/60/48/601116048.db2.gz DGZPGMFZSXRWBQ-SNVBAGLBSA-N -1 0 317.305 -0.291 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000826001202 601118025 /nfs/dbraw/zinc/11/80/25/601118025.db2.gz TYJWFRPYRAJEGF-ZJUUUORDSA-N -1 0 316.354 -0.382 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCCN2CCOCC2)CC1 ZINC000833202657 601130288 /nfs/dbraw/zinc/13/02/88/601130288.db2.gz MIJIKLLWYIFTDX-UHFFFAOYSA-N -1 0 306.384 -0.507 20 0 DBADRM CCn1cnnc1CNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830435105 601131884 /nfs/dbraw/zinc/13/18/84/601131884.db2.gz KYOUXXGKZBXEAJ-UHFFFAOYSA-N -1 0 302.356 -0.028 20 0 DBADRM Cc1cc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)oc1C(=O)[O-] ZINC000832882982 601133370 /nfs/dbraw/zinc/13/33/70/601133370.db2.gz OOXQHWHJHFWFQQ-SECBINFHSA-N -1 0 307.306 -0.571 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000828500401 601155190 /nfs/dbraw/zinc/15/51/90/601155190.db2.gz QZFOPLALXLYYGM-NXEZZACHSA-N -1 0 314.411 -0.315 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000831163672 601181196 /nfs/dbraw/zinc/18/11/96/601181196.db2.gz DBGHPNLCHFHXKF-UHFFFAOYSA-N -1 0 321.351 -0.713 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000827575811 601183107 /nfs/dbraw/zinc/18/31/07/601183107.db2.gz QWGJGRKSZOUDRW-WDEREUQCSA-N -1 0 320.411 -0.326 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])C1 ZINC000825828253 601190766 /nfs/dbraw/zinc/19/07/66/601190766.db2.gz DTRDEEPTYFZXBO-OQPBUACISA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000831180470 601191352 /nfs/dbraw/zinc/19/13/52/601191352.db2.gz UKYOKHRZKQQOTP-DTWKUNHWSA-N -1 0 301.295 -0.290 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCN(C[C@@H]3CCCO3)CC2)nn1 ZINC000833340983 601195441 /nfs/dbraw/zinc/19/54/41/601195441.db2.gz ZCWLITRVGYDKTR-NSHDSACASA-N -1 0 323.353 -0.701 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCCC[C@H]2C2OCCO2)nn1 ZINC000833340413 601199358 /nfs/dbraw/zinc/19/93/58/601199358.db2.gz TZYAEPLEXGXKBG-JTQLQIEISA-N -1 0 310.310 -0.270 20 0 DBADRM CCCNC(=O)C1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000829508241 601200286 /nfs/dbraw/zinc/20/02/86/601200286.db2.gz PTVQYUBGTQUEGX-UHFFFAOYSA-N -1 0 323.353 -0.259 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCc2nnc3ccccn32)nn1 ZINC000833120593 601200642 /nfs/dbraw/zinc/20/06/42/601200642.db2.gz FTYHHKWCYUHSGX-UHFFFAOYSA-N -1 0 315.293 -0.622 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)OC)c1 ZINC000830429828 601212829 /nfs/dbraw/zinc/21/28/29/601212829.db2.gz SUBVASVCQWPXPQ-ZETCQYMHSA-N -1 0 305.312 -0.802 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000831072584 601212993 /nfs/dbraw/zinc/21/29/93/601212993.db2.gz KWEUEBZSJRKFPY-ZETCQYMHSA-N -1 0 319.339 -0.172 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)COc1cccc(N2CCCC2=O)c1 ZINC000833115176 601216627 /nfs/dbraw/zinc/21/66/27/601216627.db2.gz BQDIJEWCUKYOGJ-LBPRGKRZSA-N -1 0 322.317 -0.246 20 0 DBADRM Cc1oc(S(=O)(=O)N[C@H]2CCCNC2=O)cc1C(=O)[O-] ZINC000833028931 601219730 /nfs/dbraw/zinc/21/97/30/601219730.db2.gz UFIYDIRNJYNUJN-QMMMGPOBSA-N -1 0 302.308 -0.157 20 0 DBADRM O=C([O-])c1ccc(NC(=O)CS(=O)(=O)C[C@H](O)CO)cc1 ZINC000833114984 601228158 /nfs/dbraw/zinc/22/81/58/601228158.db2.gz RBFRLIQEYSOSDD-SNVBAGLBSA-N -1 0 317.319 -0.909 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000830991768 601243422 /nfs/dbraw/zinc/24/34/22/601243422.db2.gz OJTVWDUPXYIMOP-UHFFFAOYSA-N -1 0 320.349 -0.280 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)s1 ZINC000833309735 601244798 /nfs/dbraw/zinc/24/47/98/601244798.db2.gz KWFLYXBMASHAQU-LURJTMIESA-N -1 0 309.303 -0.178 20 0 DBADRM COc1cc(CNS(=O)(=O)N(C)CCC(=O)[O-])ccn1 ZINC000088772396 601253822 /nfs/dbraw/zinc/25/38/22/601253822.db2.gz TYQLZTHZHSCHPW-UHFFFAOYSA-N -1 0 303.340 -0.169 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2c[nH]cn2)CC1 ZINC000827385100 601257600 /nfs/dbraw/zinc/25/76/00/601257600.db2.gz FWGNKYFTDNGTEL-VIFPVBQESA-N -1 0 302.356 -0.421 20 0 DBADRM COCCCS(=O)(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000831705526 601258503 /nfs/dbraw/zinc/25/85/03/601258503.db2.gz PQUOKYKWFOMELI-NSHDSACASA-N -1 0 308.400 -0.167 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000831155361 601258632 /nfs/dbraw/zinc/25/86/32/601258632.db2.gz KSZAHLJCRXADFA-VIFPVBQESA-N -1 0 322.383 -0.089 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCNC(=O)C(C)(C)C ZINC000830747667 601258680 /nfs/dbraw/zinc/25/86/80/601258680.db2.gz YMKDZUAPFBLHEK-UHFFFAOYSA-N -1 0 309.388 -0.610 20 0 DBADRM COCCN1CCC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000399504211 601259516 /nfs/dbraw/zinc/25/95/16/601259516.db2.gz KRPFTKUMLPJALK-NSHDSACASA-N -1 0 323.415 -0.662 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC1CCC(C(N)=O)CC1 ZINC000088768613 601259593 /nfs/dbraw/zinc/25/95/93/601259593.db2.gz SRUWKTVGXOJJQM-UHFFFAOYSA-N -1 0 307.372 -0.729 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC000827386736 601260033 /nfs/dbraw/zinc/26/00/33/601260033.db2.gz XBMQBRDLYCIQPV-NWDGAFQWSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC000827386738 601260187 /nfs/dbraw/zinc/26/01/87/601260187.db2.gz XBMQBRDLYCIQPV-VXGBXAGGSA-N -1 0 320.411 -0.167 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000831643310 601260688 /nfs/dbraw/zinc/26/06/88/601260688.db2.gz FYGAYAXJJBQHSU-QWRGUYRKSA-N -1 0 308.400 -0.168 20 0 DBADRM COCCN1CCN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@H]1C ZINC000831746626 601262356 /nfs/dbraw/zinc/26/23/56/601262356.db2.gz YLXNPJCLPABHSI-LLVKDONJSA-N -1 0 323.415 -0.710 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(C)(C)C ZINC000831077856 601262690 /nfs/dbraw/zinc/26/26/90/601262690.db2.gz CXZVGOLLRVQGIS-SECBINFHSA-N -1 0 310.372 -0.185 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000830742571 601262719 /nfs/dbraw/zinc/26/27/19/601262719.db2.gz GFXHLOHCCZKUDS-BDAKNGLRSA-N -1 0 307.372 -0.729 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000830551811 601270737 /nfs/dbraw/zinc/27/07/37/601270737.db2.gz LUWRLRKZCOBCMG-UHFFFAOYSA-N -1 0 320.349 -0.374 20 0 DBADRM O=C([O-])c1cn(CC(=O)Nc2cccc(-n3cnnn3)c2)nn1 ZINC000833122138 601273562 /nfs/dbraw/zinc/27/35/62/601273562.db2.gz WTVZUGQSXWDTJV-UHFFFAOYSA-N -1 0 314.265 -0.409 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCNC(=O)c2ccco2)nn1 ZINC000833120531 601274303 /nfs/dbraw/zinc/27/43/03/601274303.db2.gz BHEQJHOYSUNPAC-UHFFFAOYSA-N -1 0 307.266 -0.885 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cnc2c(cnn2C)c1)C(=O)[O-] ZINC000831133565 601274343 /nfs/dbraw/zinc/27/43/43/601274343.db2.gz GNVZCNWWKLBAEP-SECBINFHSA-N -1 0 306.278 -0.286 20 0 DBADRM Cc1ncc2c(n1)CC[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C2 ZINC000833009316 601274902 /nfs/dbraw/zinc/27/49/02/601274902.db2.gz IYXOZXBYSQIZLM-SNVBAGLBSA-N -1 0 316.321 -0.252 20 0 DBADRM Cc1cc(NC(=O)CN(C)S(=O)(=O)C[C@H](C)C(=O)[O-])no1 ZINC000832893780 601275394 /nfs/dbraw/zinc/27/53/94/601275394.db2.gz UGLLEPJURDWQNX-ZETCQYMHSA-N -1 0 319.339 -0.096 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCN(c3cnccn3)CC2)nn1 ZINC000833339582 601275666 /nfs/dbraw/zinc/27/56/66/601275666.db2.gz FFAWVYMKURTMRW-UHFFFAOYSA-N -1 0 317.309 -0.885 20 0 DBADRM COC(=O)CN(C)C(=O)CCC(C)(C)C(=O)N(C)CC(=O)[O-] ZINC000831163667 601278955 /nfs/dbraw/zinc/27/89/55/601278955.db2.gz CWFXCRBTOVOPMU-UHFFFAOYSA-N -1 0 316.354 -0.033 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC2CCN(CC(F)F)CC2)nn1 ZINC000833121994 601279811 /nfs/dbraw/zinc/27/98/11/601279811.db2.gz QXPDWDXMHTYABT-UHFFFAOYSA-N -1 0 317.296 -0.178 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCN(c3cccnn3)CC2)nn1 ZINC000833339230 601280346 /nfs/dbraw/zinc/28/03/46/601280346.db2.gz BTVQPGOOWXURJV-UHFFFAOYSA-N -1 0 317.309 -0.885 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000831204571 601280699 /nfs/dbraw/zinc/28/06/99/601280699.db2.gz XJVBWHQNFSGFHS-MRVPVSSYSA-N -1 0 311.298 -0.677 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCCOC[C@H]2CCCO2)nn1 ZINC000833121202 601285477 /nfs/dbraw/zinc/28/54/77/601285477.db2.gz YGXRFHKVCAIZPE-SNVBAGLBSA-N -1 0 312.326 -0.322 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000831715711 601286897 /nfs/dbraw/zinc/28/68/97/601286897.db2.gz JRWXHIOPGDSSRR-UHFFFAOYSA-N -1 0 309.322 -0.043 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCCNc2ccccn2)nn1 ZINC000833120670 601287767 /nfs/dbraw/zinc/28/77/67/601287767.db2.gz LNEUGILOMSNAQN-UHFFFAOYSA-N -1 0 304.310 -0.010 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@@H](CO)Cc2ccccc2)nn1 ZINC000833121417 601287802 /nfs/dbraw/zinc/28/78/02/601287802.db2.gz GROBBDSALDACPK-LBPRGKRZSA-N -1 0 318.333 -0.056 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000828143660 601288085 /nfs/dbraw/zinc/28/80/85/601288085.db2.gz OOHJJEZTZOHZND-YUMQZZPRSA-N -1 0 316.339 -0.990 20 0 DBADRM C[C@H](CNC(=O)Cn1cc(C(=O)[O-])nn1)CC1(C)OCCO1 ZINC000827470162 601288914 /nfs/dbraw/zinc/28/89/14/601288914.db2.gz PNXVXXXJGKLNKP-VIFPVBQESA-N -1 0 312.326 -0.118 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccccn1 ZINC000831077985 601290590 /nfs/dbraw/zinc/29/05/90/601290590.db2.gz GUZBUVQHIJGTHX-NSHDSACASA-N -1 0 319.277 -0.598 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@@H]1N1CCOCC1 ZINC000828348253 601291006 /nfs/dbraw/zinc/29/10/06/601291006.db2.gz ILNRFBPVCPHGEG-JQWIXIFHSA-N -1 0 323.353 -0.845 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CC1SC(=N)NC1=O ZINC000831549357 601293185 /nfs/dbraw/zinc/29/31/85/601293185.db2.gz WXNRYSVQVYQSQM-KBUNVGBDSA-N -1 0 303.340 -0.461 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000830706447 601294976 /nfs/dbraw/zinc/29/49/76/601294976.db2.gz LJRHURFEBIWCJB-LBPRGKRZSA-N -1 0 323.349 -0.455 20 0 DBADRM O=C([O-])CCCNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000819434461 601315394 /nfs/dbraw/zinc/31/53/94/601315394.db2.gz KBRCIMFWPHEIFQ-NSHDSACASA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NCC(=O)c1ccccc1 ZINC000833108859 601317309 /nfs/dbraw/zinc/31/73/09/601317309.db2.gz UKNNPEKGCQHIJO-NEPJUHHUSA-N -1 0 306.318 -0.495 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCCCC(=O)[O-] ZINC000818113524 601332362 /nfs/dbraw/zinc/33/23/62/601332362.db2.gz PWXDQNSHBCJXLO-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM CNS(=O)(=O)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000831025586 601341570 /nfs/dbraw/zinc/34/15/70/601341570.db2.gz UBWMJGMWVPMYIB-NSHDSACASA-N -1 0 312.347 -0.426 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)N[C@H]2CCCNC2=O)cc1 ZINC000833267156 601349836 /nfs/dbraw/zinc/34/98/36/601349836.db2.gz ZHIXDGVNJYJISP-NSHDSACASA-N -1 0 319.317 -0.353 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)N[C@H]1CCCNC1=O ZINC000833164231 601349843 /nfs/dbraw/zinc/34/98/43/601349843.db2.gz VTXCXBIALHZUKU-ZETCQYMHSA-N -1 0 311.319 -0.220 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)NC[C@@H](O)C2CC2)cc1 ZINC000833254058 601353789 /nfs/dbraw/zinc/35/37/89/601353789.db2.gz GIFJGXGGRGVUSH-GFCCVEGCSA-N -1 0 322.317 -0.024 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCN(C)C(=O)C2)cccc1C(=O)[O-] ZINC000832856063 601363558 /nfs/dbraw/zinc/36/35/58/601363558.db2.gz RPMZUJMQKROBBE-UHFFFAOYSA-N -1 0 319.317 -0.068 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000827398339 601366163 /nfs/dbraw/zinc/36/61/63/601366163.db2.gz WUZPAIORUWPFDA-QMMMGPOBSA-N -1 0 323.305 -0.531 20 0 DBADRM CC(C)CN1C(=O)C(=O)N(CN2CC[C@](F)(C(=O)[O-])C2)C1=O ZINC000826881540 601371429 /nfs/dbraw/zinc/37/14/29/601371429.db2.gz YFWSQTGMRXNHHB-CYBMUJFWSA-N -1 0 315.301 -0.111 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CCO[C@H](CC(=O)[O-])C2)C1=O ZINC000831660745 601374898 /nfs/dbraw/zinc/37/48/98/601374898.db2.gz QOLPMVWSQJFPHT-NOZJJQNGSA-N -1 0 315.326 -0.924 20 0 DBADRM NC(=O)c1cc([N+](=O)[O-])cnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC000387374475 601382381 /nfs/dbraw/zinc/38/23/81/601382381.db2.gz BGNVTDRMVHUPJI-QMMMGPOBSA-N -1 0 310.266 -0.231 20 0 DBADRM CCN1C(=O)[C@H]2CN(c3ccc(C(=O)[O-])nn3)CCN2C1=O ZINC000829745257 601383928 /nfs/dbraw/zinc/38/39/28/601383928.db2.gz QJXKVCFTSKZMQV-SECBINFHSA-N -1 0 305.294 -0.353 20 0 DBADRM COC(=O)C[C@H](NC(=O)CNC(=O)c1ccoc1C)C(=O)[O-] ZINC000831129187 601384438 /nfs/dbraw/zinc/38/44/38/601384438.db2.gz SSNSRWPSWRUVKS-VIFPVBQESA-N -1 0 312.278 -0.550 20 0 DBADRM O=C([O-])c1cn(CC(=O)N(CCO)Cc2ccccc2)nn1 ZINC000309585642 601386487 /nfs/dbraw/zinc/38/64/87/601386487.db2.gz WSGZFMYXGFNJHQ-UHFFFAOYSA-N -1 0 304.306 -0.003 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)c2nc3n(n2)CCCN3)cc1 ZINC000833315294 601387625 /nfs/dbraw/zinc/38/76/25/601387625.db2.gz ZTMDPZIBDBODAY-UHFFFAOYSA-N -1 0 301.306 -0.021 20 0 DBADRM O=C([O-])c1ccc2c(=O)[nH]c(CN3C[C@@H](O)[C@@H](O)C3)nc2c1 ZINC000833325700 601389170 /nfs/dbraw/zinc/38/91/70/601389170.db2.gz UHNUAJITLNRMPY-PHIMTYICSA-N -1 0 305.290 -0.429 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCOc3ccncc32)cn1 ZINC000833275485 601396181 /nfs/dbraw/zinc/39/61/81/601396181.db2.gz ZTGJJUMZZUFNEE-UHFFFAOYSA-N -1 0 324.318 -0.050 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000091294195 601396280 /nfs/dbraw/zinc/39/62/80/601396280.db2.gz KVSVORAAHOTEGQ-VIFPVBQESA-N -1 0 309.340 -0.555 20 0 DBADRM COC[C@H]1CCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000696512457 601396635 /nfs/dbraw/zinc/39/66/35/601396635.db2.gz VIKZNJFQPYSCFM-SECBINFHSA-N -1 0 303.340 -0.233 20 0 DBADRM NC(=O)[C@H]1CN(Cn2nc(C(=O)[O-])c3ccccc32)CCO1 ZINC000833079159 601399501 /nfs/dbraw/zinc/39/95/01/601399501.db2.gz DOTXHPYVNSDLSP-LLVKDONJSA-N -1 0 304.306 -0.122 20 0 DBADRM CCCCC[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000829339101 601403101 /nfs/dbraw/zinc/40/31/01/601403101.db2.gz CUJAOAUOCKLQCL-VIFPVBQESA-N -1 0 315.413 -0.016 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)c1ccc(O)cc1 ZINC000831067333 601439072 /nfs/dbraw/zinc/43/90/72/601439072.db2.gz PHWZDDQMYDPERS-SNVBAGLBSA-N -1 0 324.289 -0.746 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cn1cc2ccccc2n1 ZINC000833205954 601449638 /nfs/dbraw/zinc/44/96/38/601449638.db2.gz NCILCEUWGIKZSC-GFCCVEGCSA-N -1 0 316.317 -0.162 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CCO[C@H](CO)C1 ZINC000832915383 601455968 /nfs/dbraw/zinc/45/59/68/601455968.db2.gz YEWHGHIFMUQFCJ-NSHDSACASA-N -1 0 322.317 -0.149 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)N2CCO[C@H](CO)C2)cc1 ZINC000833265687 601456377 /nfs/dbraw/zinc/45/63/77/601456377.db2.gz DLWAYMANWJTFJC-LBPRGKRZSA-N -1 0 322.317 -0.528 20 0 DBADRM O=C([O-])Nc1cccc(NC(=O)C(=O)N2CCO[C@H](CO)C2)c1 ZINC000833291748 601456394 /nfs/dbraw/zinc/45/63/94/601456394.db2.gz QZANDJFASXSYIN-NSHDSACASA-N -1 0 323.305 -0.065 20 0 DBADRM O=C([O-])C[C@@H]1CN([C@H]2CCN(C3CCOCC3)C2=O)CCO1 ZINC000833221984 601457087 /nfs/dbraw/zinc/45/70/87/601457087.db2.gz OPSVXIKCTMFZAT-OLZOCXBDSA-N -1 0 312.366 -0.058 20 0 DBADRM CCN1CCN(C(=O)[C@@H](C)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000829771060 601458895 /nfs/dbraw/zinc/45/88/95/601458895.db2.gz RHNFLASACWFGQZ-OLZOCXBDSA-N -1 0 313.398 -0.286 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000317055418 601461766 /nfs/dbraw/zinc/46/17/66/601461766.db2.gz XREULQYNNHFHPI-LLVKDONJSA-N -1 0 310.354 -0.981 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN2C(=O)NC[C@H]2C1)C(=O)[O-] ZINC000828717051 601461996 /nfs/dbraw/zinc/46/19/96/601461996.db2.gz IVWNBZMYAFNDSW-JBLDHEPKSA-N -1 0 312.370 -0.689 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN2C(=O)NC[C@H]2C1)C(=O)[O-] ZINC000828717054 601462139 /nfs/dbraw/zinc/46/21/39/601462139.db2.gz IVWNBZMYAFNDSW-NHCYSSNCSA-N -1 0 312.370 -0.689 20 0 DBADRM CCN(C(=O)CN(CC(=O)[O-])C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000037598422 601464298 /nfs/dbraw/zinc/46/42/98/601464298.db2.gz MZHWNCGOSRXZDL-LLVKDONJSA-N -1 0 318.395 -0.429 20 0 DBADRM CCCNC(=O)CN(C)C(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000829513814 601465049 /nfs/dbraw/zinc/46/50/49/601465049.db2.gz RLTAYRXZAOWDSL-RKDXNWHRSA-N -1 0 300.311 -0.765 20 0 DBADRM CCCNC(=O)CN(C)C(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000829513813 601465125 /nfs/dbraw/zinc/46/51/25/601465125.db2.gz RLTAYRXZAOWDSL-IUCAKERBSA-N -1 0 300.311 -0.765 20 0 DBADRM CCOC(=O)N1CCN(C(=O)CN(CC(=O)[O-])C2CC2)CC1 ZINC000829862061 601465527 /nfs/dbraw/zinc/46/55/27/601465527.db2.gz XDILXOVUJGQBHA-UHFFFAOYSA-N -1 0 313.354 -0.164 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NC[C@H]1COCCO1 ZINC000819592178 601469052 /nfs/dbraw/zinc/46/90/52/601469052.db2.gz IVGSVMQTEWEWAS-NSHDSACASA-N -1 0 322.317 -0.216 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000833086281 601481750 /nfs/dbraw/zinc/48/17/50/601481750.db2.gz MDUDYPZWDUWKKY-CQSZACIVSA-N -1 0 323.280 -0.251 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818004721 601489748 /nfs/dbraw/zinc/48/97/48/601489748.db2.gz UKAUBTGAYMFCAT-QMMMGPOBSA-N -1 0 307.306 -0.368 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000831000348 601496466 /nfs/dbraw/zinc/49/64/66/601496466.db2.gz DJZKULGKFVYYRF-SSDOTTSWSA-N -1 0 308.294 -0.034 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000820637393 601496634 /nfs/dbraw/zinc/49/66/34/601496634.db2.gz KBBCWUHAXLVTEP-ZCFIWIBFSA-N -1 0 311.269 -0.287 20 0 DBADRM COc1cccc(CCNC(=O)Cn2cc(C(=O)[O-])nn2)n1 ZINC000832549442 601506533 /nfs/dbraw/zinc/50/65/33/601506533.db2.gz LYEMNHGHNORVBL-UHFFFAOYSA-N -1 0 305.294 -0.261 20 0 DBADRM CN1CCO[C@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000830965741 601511786 /nfs/dbraw/zinc/51/17/86/601511786.db2.gz VRHNWNXMUWJPOY-SNVBAGLBSA-N -1 0 306.384 -0.509 20 0 DBADRM COCCN([C@@H](C)C(N)=O)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000831710024 601513848 /nfs/dbraw/zinc/51/38/48/601513848.db2.gz NGZDGLLEIFZSHC-VIFPVBQESA-N -1 0 322.383 -0.607 20 0 DBADRM CN1CCN(C)[C@@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000830949716 601514571 /nfs/dbraw/zinc/51/45/71/601514571.db2.gz FYVOQXHYFFBVDC-NSHDSACASA-N -1 0 319.427 -0.594 20 0 DBADRM CS(=O)(=O)CC(=O)N(CCC(=O)[O-])Cc1ccncc1 ZINC000832659806 601514633 /nfs/dbraw/zinc/51/46/33/601514633.db2.gz MASCVVMGZYJZRX-UHFFFAOYSA-N -1 0 300.336 -0.071 20 0 DBADRM Cc1nnc2n1CCN(S(=O)(=O)CC1(CC(=O)[O-])CC1)C2 ZINC000833019473 601514980 /nfs/dbraw/zinc/51/49/80/601514980.db2.gz NDXWHHMYJGTMCE-UHFFFAOYSA-N -1 0 314.367 -0.013 20 0 DBADRM NC(=O)C1(NS(=O)(=O)CC2(CC(=O)[O-])CC2)CCCC1 ZINC000833082777 601516884 /nfs/dbraw/zinc/51/68/84/601516884.db2.gz QTKCARIHFPSDAT-UHFFFAOYSA-N -1 0 304.368 -0.041 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)CCC1=O ZINC000830917856 601517495 /nfs/dbraw/zinc/51/74/95/601517495.db2.gz IEROVNLWLGVPMF-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM COC(=O)[C@H]1COCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000831118680 601520122 /nfs/dbraw/zinc/52/01/22/601520122.db2.gz CPOHQAGKNNVSFE-SECBINFHSA-N -1 0 321.351 -0.555 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000833202225 601520780 /nfs/dbraw/zinc/52/07/80/601520780.db2.gz VWIFECHSIOZSCC-VIFPVBQESA-N -1 0 316.379 -0.076 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCCn2ncnc21 ZINC000830742499 601522247 /nfs/dbraw/zinc/52/22/47/601522247.db2.gz DAGQTLCLGZJIJY-QMMMGPOBSA-N -1 0 303.344 -0.646 20 0 DBADRM CC[C@@H](NS(=O)(=O)CCCC(=O)[O-])C(=O)N1CCOCC1 ZINC000828989065 601523136 /nfs/dbraw/zinc/52/31/36/601523136.db2.gz ORIUANJKTAEDRS-SNVBAGLBSA-N -1 0 322.383 -0.592 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000250948334 601526424 /nfs/dbraw/zinc/52/64/24/601526424.db2.gz NPXVHGZYQXDLKR-NXEZZACHSA-N -1 0 304.368 -0.220 20 0 DBADRM CN(CC(=O)NCCC(=O)[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000830674621 601537634 /nfs/dbraw/zinc/53/76/34/601537634.db2.gz OOCXGEGEHTYBKI-WDEREUQCSA-N -1 0 320.411 -0.135 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)N[C@H](CC(=O)[O-])C2CC2)CC1 ZINC000833087590 601541230 /nfs/dbraw/zinc/54/12/30/601541230.db2.gz DHHGRYQEJDBPRX-SNVBAGLBSA-N -1 0 319.383 -0.729 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)Cn1nnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000828728096 601546241 /nfs/dbraw/zinc/54/62/41/601546241.db2.gz HGYRAMKTANJYAR-GMSGAONNSA-N -1 0 322.325 -0.860 20 0 DBADRM Cn1ncc2c1nnn(CC(=O)c1cc(C(=O)[O-])co1)c2=O ZINC000833061340 601546764 /nfs/dbraw/zinc/54/67/64/601546764.db2.gz FFYOCSGALURSIZ-UHFFFAOYSA-N -1 0 303.234 -0.301 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000833250323 601550613 /nfs/dbraw/zinc/55/06/13/601550613.db2.gz HGAPHOCFEBLMLF-MNOVXSKESA-N -1 0 318.395 -0.381 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000818013705 601556862 /nfs/dbraw/zinc/55/68/62/601556862.db2.gz KKNPCGORUWPAGE-VWYCJHECSA-N -1 0 302.327 -0.325 20 0 DBADRM Cn1ncc2c1nnn(CN1CCC3(C[C@H]3C(=O)[O-])CC1)c2=O ZINC000833062226 601560007 /nfs/dbraw/zinc/56/00/07/601560007.db2.gz LJHTXZDHWBDBBQ-JTQLQIEISA-N -1 0 318.337 -0.331 20 0 DBADRM O=C([O-])c1cn(CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)nn1 ZINC000833337711 601560232 /nfs/dbraw/zinc/56/02/32/601560232.db2.gz HQXYQUZJBNCOSD-MNOVXSKESA-N -1 0 314.367 -0.025 20 0 DBADRM COC(=O)[C@@H]1COCCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000831120101 601560943 /nfs/dbraw/zinc/56/09/43/601560943.db2.gz YHFKZEAZLMVHID-NSHDSACASA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC000823659616 601562268 /nfs/dbraw/zinc/56/22/68/601562268.db2.gz JFGCCKLFDHGCKQ-PWSUYJOCSA-N -1 0 322.365 0.000 20 0 DBADRM COC(=O)[C@@H]1COCCN1Cc1noc(CCCC(=O)[O-])n1 ZINC000831118495 601562893 /nfs/dbraw/zinc/56/28/93/601562893.db2.gz AOOATQGYSAJJMG-VIFPVBQESA-N -1 0 313.310 -0.149 20 0 DBADRM O=C([O-])CNC(=O)CN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000821530845 601568714 /nfs/dbraw/zinc/56/87/14/601568714.db2.gz MYJQMNDNXRSZDC-NXEZZACHSA-N -1 0 304.368 -0.771 20 0 DBADRM NC(=O)c1ccccc1NC(=O)CN1CCO[C@@H](CC(=O)[O-])C1 ZINC000320777922 601569392 /nfs/dbraw/zinc/56/93/92/601569392.db2.gz LXJBADKDRSUVJO-JTQLQIEISA-N -1 0 321.333 -0.101 20 0 DBADRM CCS(=O)(=O)NCCS(=O)(=O)N(CC(=O)[O-])C(C)C ZINC000262402616 601570324 /nfs/dbraw/zinc/57/03/24/601570324.db2.gz KFUYPVBGPHCBFN-UHFFFAOYSA-N -1 0 316.401 -0.950 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(C)n1 ZINC000818898871 601579824 /nfs/dbraw/zinc/57/98/24/601579824.db2.gz NFAJWNQXPZAQEF-LLVKDONJSA-N -1 0 307.306 -0.051 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000830991979 601583515 /nfs/dbraw/zinc/58/35/15/601583515.db2.gz VWQBLUCAHPHHTF-UHFFFAOYSA-N -1 0 306.322 -0.716 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N[C@@H](C(=O)[O-])C1CC1)c2=O ZINC000347396382 601591960 /nfs/dbraw/zinc/59/19/60/601591960.db2.gz KKGASCQXIMBWOB-SNVBAGLBSA-N -1 0 305.294 -0.891 20 0 DBADRM C/C(=C\COC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000825764879 601604317 /nfs/dbraw/zinc/60/43/17/601604317.db2.gz JWYQGLLKGLAFNF-FPYGCLRLSA-N -1 0 317.323 -0.728 20 0 DBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000833030570 601607938 /nfs/dbraw/zinc/60/79/38/601607938.db2.gz ZGSNRAXHBFENFQ-QMMMGPOBSA-N -1 0 321.289 -0.239 20 0 DBADRM COCCCn1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])n1 ZINC000831710371 601629596 /nfs/dbraw/zinc/62/95/96/601629596.db2.gz WBVRGLUBGUHNFY-VIFPVBQESA-N -1 0 312.326 -0.305 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N[C@H](C(=O)[O-])C1CC1)n1cccn1 ZINC000825972495 601630526 /nfs/dbraw/zinc/63/05/26/601630526.db2.gz UOSUZVWWLLFJGY-SKDRFNHKSA-N -1 0 308.338 -0.118 20 0 DBADRM CCCCC[C@@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)[O-] ZINC000829321584 601643105 /nfs/dbraw/zinc/64/31/05/601643105.db2.gz SBUSWSBAADKTOT-MRVPVSSYSA-N -1 0 313.310 -0.443 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CC[C@](F)(C(=O)[O-])C2)CC1=O ZINC000831742125 601660919 /nfs/dbraw/zinc/66/09/19/601660919.db2.gz YHNIOVOLEVYPSD-TVQRCGJNSA-N -1 0 302.302 -0.494 20 0 DBADRM CC(C)(CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400113544 601667662 /nfs/dbraw/zinc/66/76/62/601667662.db2.gz GZJOPDPVSCQXAF-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM COCCn1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)ccc1=O ZINC000831800558 601671365 /nfs/dbraw/zinc/67/13/65/601671365.db2.gz PBCQSFRYVKLPBF-LBPRGKRZSA-N -1 0 324.333 -0.190 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)NCC(C)(C)C(=O)[O-])C1 ZINC000831020150 601683627 /nfs/dbraw/zinc/68/36/27/601683627.db2.gz NJBSBWSIKBVPOM-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@@](C)(COC)C(=O)[O-])CC1=O ZINC000328477541 601693716 /nfs/dbraw/zinc/69/37/16/601693716.db2.gz JDXCWUPHKPRJMF-ZANVPECISA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)C[C@@H]1C(=O)[O-] ZINC000828349274 601694251 /nfs/dbraw/zinc/69/42/51/601694251.db2.gz NTQQLPXWMXZDMS-WPRPVWTQSA-N -1 0 319.321 -0.691 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)C[C@H]1C(=O)[O-] ZINC000828349273 601694309 /nfs/dbraw/zinc/69/43/09/601694309.db2.gz NTQQLPXWMXZDMS-WCBMZHEXSA-N -1 0 319.321 -0.691 20 0 DBADRM COC[C@@](C)(NC(=O)[C@H](C)Sc1nncn1C)C(=O)[O-] ZINC000831596816 601698959 /nfs/dbraw/zinc/69/89/59/601698959.db2.gz KWZFJFMXERNGLY-WRWORJQWSA-N -1 0 302.356 -0.098 20 0 DBADRM COC[C@@](C)(NC(=O)c1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000262316569 601699958 /nfs/dbraw/zinc/69/99/58/601699958.db2.gz ZSIRCPVFJHVTTG-CQSZACIVSA-N -1 0 310.306 -0.230 20 0 DBADRM COC[C@](C)(NC(=O)c1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000262316565 601699993 /nfs/dbraw/zinc/69/99/93/601699993.db2.gz ZSIRCPVFJHVTTG-AWEZNQCLSA-N -1 0 310.306 -0.230 20 0 DBADRM COC[C@@](C)(NC(=O)CN(C)c1ncnc2nc[nH]c21)C(=O)[O-] ZINC000831607987 601700640 /nfs/dbraw/zinc/70/06/40/601700640.db2.gz AJPIDXVWAQOYAB-CYBMUJFWSA-N -1 0 322.325 -0.605 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000826717907 601705677 /nfs/dbraw/zinc/70/56/77/601705677.db2.gz XFYHSKHXZLBCNM-AEJSXWLSSA-N -1 0 306.384 -0.261 20 0 DBADRM CC(C)(CNC(=O)COCC(=O)NCc1cccnc1)C(=O)[O-] ZINC000826561649 601705877 /nfs/dbraw/zinc/70/58/77/601705877.db2.gz GQTUMSSKYOPBGS-UHFFFAOYSA-N -1 0 323.349 -0.059 20 0 DBADRM CCO[C@H]1C[C@@H]1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000829931631 601715625 /nfs/dbraw/zinc/71/56/25/601715625.db2.gz RNTTZORRMSERMV-IUCAKERBSA-N -1 0 305.352 -0.440 20 0 DBADRM CCc1cc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)[nH]n1 ZINC000830213887 601717267 /nfs/dbraw/zinc/71/72/67/601717267.db2.gz KHZGVCLDHQZZFD-UHFFFAOYSA-N -1 0 315.351 -0.266 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000261827834 601720748 /nfs/dbraw/zinc/72/07/48/601720748.db2.gz BCDNNKKTCFKRNU-NSHDSACASA-N -1 0 307.306 -0.220 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])o1 ZINC000169796695 601721761 /nfs/dbraw/zinc/72/17/61/601721761.db2.gz DQKZRPOMGGCEAO-SSDOTTSWSA-N -1 0 318.307 -0.887 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2ccc3c(c2)OCC(=O)N3)CCOC1 ZINC000262063910 601723072 /nfs/dbraw/zinc/72/30/72/601723072.db2.gz FHPBOUQTTCAUDZ-CQSZACIVSA-N -1 0 306.274 -0.009 20 0 DBADRM O=C(CNC(=O)OCC(F)(F)F)N[C@@]1(C(=O)[O-])CCOC1 ZINC000833108395 601726540 /nfs/dbraw/zinc/72/65/40/601726540.db2.gz HGODRBFBJXFBOQ-VIFPVBQESA-N -1 0 314.216 -0.365 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)CNC(=O)c2ccccn2)CCO1 ZINC000833215957 601739312 /nfs/dbraw/zinc/73/93/12/601739312.db2.gz FSYOTQUWIYBJSD-JTQLQIEISA-N -1 0 307.306 -0.487 20 0 DBADRM CC[C@@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)C(=O)[O-] ZINC000818278776 601749631 /nfs/dbraw/zinc/74/96/31/601749631.db2.gz ZPKYLYJASRRFPK-GMSGAONNSA-N -1 0 313.335 -0.304 20 0 DBADRM CN(CC(=O)N[C@@H](C(=O)[O-])C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000830669527 601757702 /nfs/dbraw/zinc/75/77/02/601757702.db2.gz GJNMHCBSNQKZDE-MWLCHTKSSA-N -1 0 304.368 -0.915 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000829680414 601758653 /nfs/dbraw/zinc/75/86/53/601758653.db2.gz ZRMVHFQUWOXPJZ-UWVGGRQHSA-N -1 0 306.384 -0.163 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)CNC(=O)c2ccc(O)cc2)CCO1 ZINC000833216201 601760103 /nfs/dbraw/zinc/76/01/03/601760103.db2.gz KEZGXSIKIXWAAL-GFCCVEGCSA-N -1 0 322.317 -0.176 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cnc3c2ncnc3N)C[C@@H]1C(=O)[O-] ZINC000828350029 601761540 /nfs/dbraw/zinc/76/15/40/601761540.db2.gz XOICSKRTCQBNSE-YUMQZZPRSA-N -1 0 304.310 -0.412 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2ccc(-n3cncn3)nc2)CCOC1 ZINC000315885040 601765656 /nfs/dbraw/zinc/76/56/56/601765656.db2.gz KFGKUSVSTBVGMH-ZDUSSCGKSA-N -1 0 303.278 -0.364 20 0 DBADRM C[C@@H](CS(=O)(=O)N(C)CC(=O)NCc1ccco1)C(=O)[O-] ZINC000827534157 601771213 /nfs/dbraw/zinc/77/12/13/601771213.db2.gz UELMTDYBRDYXOO-VIFPVBQESA-N -1 0 318.351 -0.122 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN(C(=O)C2CC2)CC1)C(=O)[O-] ZINC000020397684 601771272 /nfs/dbraw/zinc/77/12/72/601771272.db2.gz ZSBJQAWCYZHYBE-VIFPVBQESA-N -1 0 304.368 -0.409 20 0 DBADRM C[C@@H]1CN(CCNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCO1 ZINC000828448830 601772168 /nfs/dbraw/zinc/77/21/68/601772168.db2.gz HEYARLWAPOXONA-NEPJUHHUSA-N -1 0 315.370 -0.408 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)CC2 ZINC000833006096 601773204 /nfs/dbraw/zinc/77/32/04/601773204.db2.gz BFLWZRNMNIZXOX-WDEREUQCSA-N -1 0 323.353 -0.214 20 0 DBADRM C[C@H](CS(=O)(=O)NCCNC(=O)c1ccco1)C(=O)[O-] ZINC000827557770 601773415 /nfs/dbraw/zinc/77/34/15/601773415.db2.gz HDPCNLQKMMVXGP-MRVPVSSYSA-N -1 0 304.324 -0.351 20 0 DBADRM CN1CCO[C@@H](CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC000091676310 601773451 /nfs/dbraw/zinc/77/34/51/601773451.db2.gz CSRAZHBAJFTNSU-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000091298409 601774861 /nfs/dbraw/zinc/77/48/61/601774861.db2.gz FZBXFUOLMWXXOM-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NCCOC[C@@H]2CCOC2)CCO1 ZINC000833217432 601775069 /nfs/dbraw/zinc/77/50/69/601775069.db2.gz IPNZRJQQFQFCAX-NEPJUHHUSA-N -1 0 316.354 -0.075 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000091297678 601775071 /nfs/dbraw/zinc/77/50/71/601775071.db2.gz ZDRHLYKJADEFNB-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM CC(C)N1C[C@H](NC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1=O ZINC000826961662 601777193 /nfs/dbraw/zinc/77/71/93/601777193.db2.gz WWVSIAWSSSGOML-GHMZBOCLSA-N -1 0 313.354 -0.119 20 0 DBADRM C[C@H](CS(=O)(=O)NCCN1C(=O)CSC1=O)C(=O)[O-] ZINC000827559950 601778455 /nfs/dbraw/zinc/77/84/55/601778455.db2.gz YNRMULARHLQOMC-ZCFIWIBFSA-N -1 0 310.353 -0.678 20 0 DBADRM CCc1nncn1CCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000830339367 601779064 /nfs/dbraw/zinc/77/90/64/601779064.db2.gz WONZZARYWPPUJJ-JTQLQIEISA-N -1 0 311.342 -0.274 20 0 DBADRM CC(=O)NCC1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000825875614 601780755 /nfs/dbraw/zinc/78/07/55/601780755.db2.gz GKSSKONOKGDCRT-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@H](Cc1ccccc1)C(N)=O)C(=O)[O-] ZINC000827554083 601781777 /nfs/dbraw/zinc/78/17/77/601781777.db2.gz SNFVVORQTJWSPK-MWLCHTKSSA-N -1 0 314.363 -0.277 20 0 DBADRM C[C@@H](CS(=O)(=O)NCC(=O)Nc1cccnc1)C(=O)[O-] ZINC000827558088 601785113 /nfs/dbraw/zinc/78/51/13/601785113.db2.gz IUIVAROCUQGPPM-QMMMGPOBSA-N -1 0 301.324 -0.340 20 0 DBADRM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000829608970 601785971 /nfs/dbraw/zinc/78/59/71/601785971.db2.gz SNTNZNKRHKEDFG-BDAKNGLRSA-N -1 0 324.424 -0.110 20 0 DBADRM COC(=O)N1CCC[C@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC000831203166 601786033 /nfs/dbraw/zinc/78/60/33/601786033.db2.gz GCLCXRRROVGJJD-BDAKNGLRSA-N -1 0 308.356 -0.143 20 0 DBADRM C[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])[C@H](C)N1CCOCC1 ZINC000827553490 601787914 /nfs/dbraw/zinc/78/79/14/601787914.db2.gz NUQLJJKXRUKVTK-MXWKQRLJSA-N -1 0 308.400 -0.264 20 0 DBADRM COCCN1CCC[C@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC000831743642 601788415 /nfs/dbraw/zinc/78/84/15/601788415.db2.gz ADWLYOVWLVDMFM-QWRGUYRKSA-N -1 0 308.400 -0.263 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@H]1Cn1cncn1)C(=O)[O-] ZINC000827541358 601789804 /nfs/dbraw/zinc/78/98/04/601789804.db2.gz MKUDTIFXTHBWGR-ZJUUUORDSA-N -1 0 302.356 -0.207 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCO[C@@H](Cn2cccn2)C1)C(=O)[O-] ZINC000827547518 601790054 /nfs/dbraw/zinc/79/00/54/601790054.db2.gz UPGKDYJEYCEBIS-MNOVXSKESA-N -1 0 317.367 -0.366 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000827533591 601790590 /nfs/dbraw/zinc/79/05/90/601790590.db2.gz RBBKUBCAWHZOTF-IWSPIJDZSA-N -1 0 315.413 -0.210 20 0 DBADRM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000829602442 601790959 /nfs/dbraw/zinc/79/09/59/601790959.db2.gz NROXBOISSOESET-RKDXNWHRSA-N -1 0 315.413 -0.208 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCO[C@H](Cn2cncn2)C1)C(=O)[O-] ZINC000827546210 601792184 /nfs/dbraw/zinc/79/21/84/601792184.db2.gz IWYMTBAGLGXTJF-VHSXEESVSA-N -1 0 318.355 -0.971 20 0 DBADRM CCOC(=O)[C@H]1CN(S(=O)(=O)C[C@H](C)C(=O)[O-])CCO1 ZINC000829838487 601794482 /nfs/dbraw/zinc/79/44/82/601794482.db2.gz XUNWEQUBAGHWOP-DTWKUNHWSA-N -1 0 309.340 -0.699 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C1=O ZINC000827553336 601798704 /nfs/dbraw/zinc/79/87/04/601798704.db2.gz MVHWWBFLJYTPPU-JGVFFNPUSA-N -1 0 306.340 -0.838 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000831059720 601800064 /nfs/dbraw/zinc/80/00/64/601800064.db2.gz KHNFMPGQZRINCV-VIFPVBQESA-N -1 0 323.367 -0.261 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)OC ZINC000831631270 601805776 /nfs/dbraw/zinc/80/57/76/601805776.db2.gz FIIIKYSNAZKCMK-NSHDSACASA-N -1 0 320.323 -0.431 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CCOC1CCOCC1 ZINC000831067402 601810788 /nfs/dbraw/zinc/81/07/88/601810788.db2.gz QRSJMIKARRUITD-SNVBAGLBSA-N -1 0 303.311 -0.295 20 0 DBADRM COC(=O)C[C@H](NC(=O)CCOC1CCOCC1)C(=O)[O-] ZINC000831129134 601810733 /nfs/dbraw/zinc/81/07/33/601810733.db2.gz RINUNHKMYIYDIS-JTQLQIEISA-N -1 0 303.311 -0.295 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)N[C@](C)(COC)C(=O)[O-])C1=O ZINC000328555602 601817292 /nfs/dbraw/zinc/81/72/92/601817292.db2.gz ZCMHOUQKAJBCNG-CHWSQXEVSA-N -1 0 315.326 -0.687 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)NCC(C)(C)C(=O)[O-] ZINC000164854302 601819160 /nfs/dbraw/zinc/81/91/60/601819160.db2.gz YZSQWJVLBVXNFZ-UHFFFAOYSA-N -1 0 303.340 -0.487 20 0 DBADRM NC(=O)NC[C@H]1CCCN(C(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000740332663 601855054 /nfs/dbraw/zinc/85/50/54/601855054.db2.gz OMDAPSSXLRXIPX-RKDXNWHRSA-N -1 0 316.383 -0.054 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1cnn(CC(F)F)c1)C(=O)[O-] ZINC000827466699 601859190 /nfs/dbraw/zinc/85/91/90/601859190.db2.gz QGWKXKHDLAXQIK-ZCFIWIBFSA-N -1 0 304.253 -0.076 20 0 DBADRM COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000831660898 601859210 /nfs/dbraw/zinc/85/92/10/601859210.db2.gz SWZMBKSQTHOQKT-QMMMGPOBSA-N -1 0 314.269 -0.414 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1=O ZINC000830913454 601862811 /nfs/dbraw/zinc/86/28/11/601862811.db2.gz QLBROMKOUYEKIO-QMMMGPOBSA-N -1 0 323.280 -0.191 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCC(=O)NCC(F)(F)F ZINC000740373846 601866345 /nfs/dbraw/zinc/86/63/45/601866345.db2.gz IMSRKIZWHLDBGZ-RXMQYKEDSA-N -1 0 315.273 -0.166 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000739526344 601868702 /nfs/dbraw/zinc/86/87/02/601868702.db2.gz WKAXQCJZJOBJDC-UWVGGRQHSA-N -1 0 321.399 -0.037 20 0 DBADRM COc1ncc(NC(=O)Cn2cc(C(=O)[O-])nn2)cc1C(N)=O ZINC000832653918 601870422 /nfs/dbraw/zinc/87/04/22/601870422.db2.gz FYLAQLOJCOZEQL-UHFFFAOYSA-N -1 0 320.265 -0.883 20 0 DBADRM O=C([O-])CN(C(=O)CCn1cc[nH]c(=O)c1=O)C1CCCC1 ZINC000833245093 601872316 /nfs/dbraw/zinc/87/23/16/601872316.db2.gz LZQUKPQCCOLSOG-UHFFFAOYSA-N -1 0 309.322 -0.218 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)o1 ZINC000740342003 601878006 /nfs/dbraw/zinc/87/80/06/601878006.db2.gz XQEQTJKWOCTGJF-ZETCQYMHSA-N -1 0 317.323 -0.343 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)NCC2(C(=O)[O-])CCCC2)O1 ZINC000833082829 601898178 /nfs/dbraw/zinc/89/81/78/601898178.db2.gz RIRVQYCVGGJSQI-NXEZZACHSA-N -1 0 313.354 -0.037 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1)S(C)(=O)=O ZINC000739578503 601899671 /nfs/dbraw/zinc/89/96/71/601899671.db2.gz KVCLCTNZDTVVRQ-SECBINFHSA-N -1 0 307.372 -0.521 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000736370759 601905470 /nfs/dbraw/zinc/90/54/70/601905470.db2.gz OZGJGZKKOOURJO-JTQLQIEISA-N -1 0 321.399 -0.875 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC000739577429 601906383 /nfs/dbraw/zinc/90/63/83/601906383.db2.gz HIQMVWZBDPLAAT-BDAKNGLRSA-N -1 0 312.326 -0.425 20 0 DBADRM CCCCN(CC(=O)NCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000820310941 601911313 /nfs/dbraw/zinc/91/13/13/601911313.db2.gz KJIFXEZCOLEAQG-SNVBAGLBSA-N -1 0 306.384 -0.524 20 0 DBADRM CN(CC(=O)[O-])CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000739631661 601914066 /nfs/dbraw/zinc/91/40/66/601914066.db2.gz RFJAIXMVONLYRP-UHFFFAOYSA-N -1 0 310.306 -0.073 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@H]1CSCN1C(=O)[O-] ZINC000739808415 601916763 /nfs/dbraw/zinc/91/67/63/601916763.db2.gz VXHLHQRGAXGRCJ-SECBINFHSA-N -1 0 319.383 -0.350 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000736476887 601929269 /nfs/dbraw/zinc/92/92/69/601929269.db2.gz AAXAUGVHGKSAIM-VIFPVBQESA-N -1 0 309.388 -0.277 20 0 DBADRM CC(=O)N1CCN(C(=O)CCNc2cnc(C(=O)[O-])cn2)CC1 ZINC000825839592 601931033 /nfs/dbraw/zinc/93/10/33/601931033.db2.gz DSOSLFUXPUCVMK-UHFFFAOYSA-N -1 0 321.337 -0.333 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000739526192 601940771 /nfs/dbraw/zinc/94/07/71/601940771.db2.gz RTMORNSSZNXTRH-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CN(CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000737393094 601944591 /nfs/dbraw/zinc/94/45/91/601944591.db2.gz FXJIWKMDSSOABJ-GXSJLCMTSA-N -1 0 320.411 -0.279 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCCCN1CCCS1(=O)=O ZINC000736368340 601961853 /nfs/dbraw/zinc/96/18/53/601961853.db2.gz MZSARIRJBHLNPP-JTQLQIEISA-N -1 0 321.399 -0.180 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000832898405 601969118 /nfs/dbraw/zinc/96/91/18/601969118.db2.gz GRYXUNCPAQXADG-UHFFFAOYSA-N -1 0 324.333 -0.045 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739764421 601971853 /nfs/dbraw/zinc/97/18/53/601971853.db2.gz YYQMCQBFHMLFCC-ZJUUUORDSA-N -1 0 301.343 -0.262 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000832898420 601971930 /nfs/dbraw/zinc/97/19/30/601971930.db2.gz HKJUWDOLJYWNDH-NSHDSACASA-N -1 0 310.306 -0.436 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NCCN(C(=O)[O-])C2CC2)nn1 ZINC000739597790 601981437 /nfs/dbraw/zinc/98/14/37/601981437.db2.gz WXBJGYOMGKYHRK-UHFFFAOYSA-N -1 0 324.341 -0.762 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCNC(=O)[O-] ZINC000739468224 601984086 /nfs/dbraw/zinc/98/40/86/601984086.db2.gz GHQXHFPRVFRQTM-QMMMGPOBSA-N -1 0 309.344 -0.884 20 0 DBADRM O=C([O-])N(CCNC(=O)Cn1nc2ccccn2c1=O)C1CC1 ZINC000740388656 601985055 /nfs/dbraw/zinc/98/50/55/601985055.db2.gz PNTQYSAOEAEVDD-UHFFFAOYSA-N -1 0 319.321 -0.245 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)nn1 ZINC000830557024 602011497 /nfs/dbraw/zinc/01/14/97/602011497.db2.gz PMBZKIDRMYZFSV-CYBMUJFWSA-N -1 0 309.326 -0.697 20 0 DBADRM CC(=O)N1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)[C@H](C)C1 ZINC000825839253 602019202 /nfs/dbraw/zinc/01/92/02/602019202.db2.gz CHTREGQGGDEZHQ-LLVKDONJSA-N -1 0 311.382 -0.138 20 0 DBADRM COCC[C@H](C)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739804521 602019330 /nfs/dbraw/zinc/01/93/30/602019330.db2.gz IOUTXVVFVFREFA-JTQLQIEISA-N -1 0 316.358 -0.467 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)CC[C@H]2NC(=O)NC2=O)c1 ZINC000821374647 602021721 /nfs/dbraw/zinc/02/17/21/602021721.db2.gz DCXJJZWRWDAXHN-SNVBAGLBSA-N -1 0 305.290 -0.011 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262655105 602026346 /nfs/dbraw/zinc/02/63/46/602026346.db2.gz KMVLOBIFVNHVEF-JTQLQIEISA-N -1 0 322.383 -0.735 20 0 DBADRM O=C([O-])N1CCC(n2cc(C(=O)NCc3nc[nH]n3)nn2)CC1 ZINC000740452627 602026889 /nfs/dbraw/zinc/02/68/89/602026889.db2.gz PHZSXGHCQRVKTL-UHFFFAOYSA-N -1 0 320.313 -0.359 20 0 DBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)c2c[nH]cn2)C1 ZINC000740658267 602027945 /nfs/dbraw/zinc/02/79/45/602027945.db2.gz CPYDKUDKCBTURR-SECBINFHSA-N -1 0 309.326 -0.354 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)NCCN(C(=O)[O-])C1CC1 ZINC000738705523 602028270 /nfs/dbraw/zinc/02/82/70/602028270.db2.gz WZNAKIMAGMRRMZ-UHFFFAOYSA-N -1 0 321.399 -0.037 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CN(C)CCO1 ZINC000740010635 602029342 /nfs/dbraw/zinc/02/93/42/602029342.db2.gz LKTLHNSDWIEYCR-UWVGGRQHSA-N -1 0 305.400 -0.178 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC000833191353 602031029 /nfs/dbraw/zinc/03/10/29/602031029.db2.gz QYMGYWNQNIWUFB-NSHDSACASA-N -1 0 311.338 -0.554 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000739583391 602053927 /nfs/dbraw/zinc/05/39/27/602053927.db2.gz ONDVLCORIGGOQJ-UWVGGRQHSA-N -1 0 319.383 -0.043 20 0 DBADRM CN(CC(=O)N1CC[C@@](C)(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000830665648 602054124 /nfs/dbraw/zinc/05/41/24/602054124.db2.gz JUOGBNRSVCBLJU-GXFFZTMASA-N -1 0 318.395 -0.572 20 0 DBADRM NS(=O)(=O)CCCNC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000740342550 602064261 /nfs/dbraw/zinc/06/42/61/602064261.db2.gz PKCGSCFDXNNMBB-UHFFFAOYSA-N -1 0 307.372 -0.392 20 0 DBADRM CN(CCCC(=O)N(C)CC(=O)N1CCN(C)CC1)C(=O)[O-] ZINC000737516308 602066066 /nfs/dbraw/zinc/06/60/66/602066066.db2.gz UYOLLYZHWYGGOK-UHFFFAOYSA-N -1 0 314.386 -0.391 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000739453358 602067656 /nfs/dbraw/zinc/06/76/56/602067656.db2.gz GJJLXNPHQCWGLW-UHFFFAOYSA-N -1 0 300.359 -0.687 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000231020334 602067808 /nfs/dbraw/zinc/06/78/08/602067808.db2.gz OCVOUDUSNMLSOV-LLVKDONJSA-N -1 0 307.372 -0.568 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)O1 ZINC000821345230 602068411 /nfs/dbraw/zinc/06/84/11/602068411.db2.gz PVLJRKFKEUCXOF-JPPWEJMLSA-N -1 0 313.354 -0.038 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)Cn1nc2ccccn2c1=O ZINC000829960359 602071942 /nfs/dbraw/zinc/07/19/42/602071942.db2.gz GOICFJUGMJUJKU-SNVBAGLBSA-N -1 0 322.321 -0.556 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000827262069 602076184 /nfs/dbraw/zinc/07/61/84/602076184.db2.gz DZDSSJORFXOQKS-WDEREUQCSA-N -1 0 318.395 -0.572 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000826971319 602079637 /nfs/dbraw/zinc/07/96/37/602079637.db2.gz KIPBDZBQXCVTRD-SNVBAGLBSA-N -1 0 313.354 -0.707 20 0 DBADRM Cc1cc(O)cc(=O)n1[C@H](C)C(=O)OCC(=O)NCC(=O)[O-] ZINC000821045923 602090222 /nfs/dbraw/zinc/09/02/22/602090222.db2.gz LBLCVRRVVUQTOC-MRVPVSSYSA-N -1 0 312.278 -0.833 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739741805 602090492 /nfs/dbraw/zinc/09/04/92/602090492.db2.gz SMQGYMMMKTVQJY-UHFFFAOYSA-N -1 0 309.282 -0.638 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NC[C@H]2COCCO2)cn1 ZINC000740707057 602091197 /nfs/dbraw/zinc/09/11/97/602091197.db2.gz JBLTWHZOBFJNTI-VIFPVBQESA-N -1 0 324.293 -0.358 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)N2CCCNC(=O)C2)cn1 ZINC000740702827 602095482 /nfs/dbraw/zinc/09/54/82/602095482.db2.gz CMMYTVYGNLDZLN-UHFFFAOYSA-N -1 0 321.293 -0.542 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCN3C(=O)OC[C@H]3C2)n1 ZINC000833275465 602105148 /nfs/dbraw/zinc/10/51/48/602105148.db2.gz IVBTVNPJJDTUGU-MRVPVSSYSA-N -1 0 309.282 -0.364 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)N(C)CC(=O)N1CCOCC1 ZINC000739228915 602108339 /nfs/dbraw/zinc/10/83/39/602108339.db2.gz UMJWAVPFPFXCOR-ZYHUDNBSSA-N -1 0 315.370 -0.014 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N(C)CC(=O)N1CCOCC1 ZINC000739228911 602108448 /nfs/dbraw/zinc/10/84/48/602108448.db2.gz UMJWAVPFPFXCOR-JQWIXIFHSA-N -1 0 315.370 -0.014 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000739226985 602110423 /nfs/dbraw/zinc/11/04/23/602110423.db2.gz CZGXQXSUXFAERE-VHSXEESVSA-N -1 0 321.399 -0.228 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000739226988 602110515 /nfs/dbraw/zinc/11/05/15/602110515.db2.gz CZGXQXSUXFAERE-ZJUUUORDSA-N -1 0 321.399 -0.228 20 0 DBADRM COC(=O)CCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738037573 602129643 /nfs/dbraw/zinc/12/96/43/602129643.db2.gz KKPUCENUDCQGGK-UHFFFAOYSA-N -1 0 308.290 -0.069 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NCCOCCO)c1 ZINC000833267830 602130210 /nfs/dbraw/zinc/13/02/10/602130210.db2.gz VXYBBMQIKSNLOW-UHFFFAOYSA-N -1 0 310.306 -0.623 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000827542311 602135097 /nfs/dbraw/zinc/13/50/97/602135097.db2.gz SRHKDUZCNNLGIS-UTLUCORTSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000827542308 602135180 /nfs/dbraw/zinc/13/51/80/602135180.db2.gz SRHKDUZCNNLGIS-BBBLOLIVSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@@H](CO)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000832803601 602136473 /nfs/dbraw/zinc/13/64/73/602136473.db2.gz PNYJTDMBEWIWJO-KWQFWETISA-N -1 0 308.290 -0.638 20 0 DBADRM C[C@@H](CO)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000832803598 602136476 /nfs/dbraw/zinc/13/64/76/602136476.db2.gz PNYJTDMBEWIWJO-GZMMTYOYSA-N -1 0 308.290 -0.638 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)CC[C@H]1CCCO1 ZINC000833208233 602142117 /nfs/dbraw/zinc/14/21/17/602142117.db2.gz XTLFYMSIRPACEE-NXEZZACHSA-N -1 0 320.367 -0.840 20 0 DBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000825839277 602152796 /nfs/dbraw/zinc/15/27/96/602152796.db2.gz CLVRYDHTRVIBGX-SNVBAGLBSA-N -1 0 313.354 -0.706 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000827290167 602153267 /nfs/dbraw/zinc/15/32/67/602153267.db2.gz DHOVRWGFXBNLCA-SECBINFHSA-N -1 0 324.424 -0.408 20 0 DBADRM C[C@@H]1CN(CCNC(=O)N2CCN(C(=O)[O-])CC2)CCO1 ZINC000736812213 602153894 /nfs/dbraw/zinc/15/38/94/602153894.db2.gz USXCTZISXOIREN-LLVKDONJSA-N -1 0 300.359 -0.288 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000831123760 602156446 /nfs/dbraw/zinc/15/64/46/602156446.db2.gz DLSUTRLYPQZTMV-LLVKDONJSA-N -1 0 316.354 -0.569 20 0 DBADRM O=C([O-])N1CCN(CCNC(=S)NC2CCOCC2)CC1 ZINC000740527468 602169490 /nfs/dbraw/zinc/16/94/90/602169490.db2.gz VXROUHWKAFUWEW-UHFFFAOYSA-N -1 0 316.427 -0.075 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000827318575 602171080 /nfs/dbraw/zinc/17/10/80/602171080.db2.gz YZDZEEHNOOVYSO-SNVBAGLBSA-N -1 0 324.337 -0.209 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)[C@H](C)CC(=O)[O-])cn1 ZINC000831752738 602171484 /nfs/dbraw/zinc/17/14/84/602171484.db2.gz DWWRUHWAVYFOIE-SECBINFHSA-N -1 0 312.326 -0.305 20 0 DBADRM CN1CCO[C@H]2CN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C[C@@H]21 ZINC000830965222 602174815 /nfs/dbraw/zinc/17/48/15/602174815.db2.gz PJDKKDQKYYCHST-QWRGUYRKSA-N -1 0 315.351 -0.584 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000827248203 602177634 /nfs/dbraw/zinc/17/76/34/602177634.db2.gz VQUCKOKRQZKYSY-RTHLEPHNSA-N -1 0 311.338 -0.066 20 0 DBADRM COC(=O)[C@H](C)NC(=O)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])o1 ZINC000831215366 602182353 /nfs/dbraw/zinc/18/23/53/602182353.db2.gz RPQZHONABUZDRI-BQBZGAKWSA-N -1 0 312.278 -0.226 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)C1CCN(C(=O)[O-])CC1 ZINC000737974429 602187868 /nfs/dbraw/zinc/18/78/68/602187868.db2.gz JCEUTTZAZLILJJ-UHFFFAOYSA-N -1 0 313.354 -0.306 20 0 DBADRM CCN(CC)C(=O)CN1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000739408733 602190068 /nfs/dbraw/zinc/19/00/68/602190068.db2.gz KXOWTZAVAXJHRI-UHFFFAOYSA-N -1 0 314.386 -0.391 20 0 DBADRM CN(CC(=O)OCC(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000739631248 602205209 /nfs/dbraw/zinc/20/52/09/602205209.db2.gz PSCZAWAAUGQRLZ-UHFFFAOYSA-N -1 0 316.310 -0.495 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CN(C)C(=O)[O-])CC1 ZINC000738525524 602205763 /nfs/dbraw/zinc/20/57/63/602205763.db2.gz XOWUSTYACOAAQM-VIFPVBQESA-N -1 0 315.326 -0.781 20 0 DBADRM C[C@@H](OC(=O)CN(C)C(=O)[O-])C(=O)Nc1ncnc2[nH]cnc21 ZINC000739040658 602206033 /nfs/dbraw/zinc/20/60/33/602206033.db2.gz DXAXPIGRGQQVGY-ZCFIWIBFSA-N -1 0 322.281 -0.167 20 0 DBADRM CC[C@@H](CCO)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000094951736 602209224 /nfs/dbraw/zinc/20/92/24/602209224.db2.gz HCABJYCUOOOIMY-VIFPVBQESA-N -1 0 305.356 -0.345 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCNC1=O ZINC000739228819 602213441 /nfs/dbraw/zinc/21/34/41/602213441.db2.gz FPKKLWHGAXNZMW-APPZFPTMSA-N -1 0 301.299 -0.236 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)OCCNC(=O)[O-])C1=O ZINC000736931327 602218348 /nfs/dbraw/zinc/21/83/48/602218348.db2.gz FIVDAOCTPVMSMH-UHFFFAOYSA-N -1 0 301.299 -0.092 20 0 DBADRM Cn1c(=O)c2cc(C(=O)OCCNC(=O)[O-])cnc2n(C)c1=O ZINC000739005026 602219952 /nfs/dbraw/zinc/21/99/52/602219952.db2.gz PJDYAGSAAJHITM-UHFFFAOYSA-N -1 0 322.277 -0.943 20 0 DBADRM NC(=O)[C@@H]1CC(C(=O)OCCNC(=O)[O-])=NN1c1ccccc1 ZINC000739152509 602220827 /nfs/dbraw/zinc/22/08/27/602220827.db2.gz JFZLRQSFTIUGKL-NSHDSACASA-N -1 0 320.305 -0.083 20 0 DBADRM O=C([O-])NCCOC(=O)CCn1nnc2ccccc2c1=O ZINC000739972464 602221347 /nfs/dbraw/zinc/22/13/47/602221347.db2.gz GBGKFLXOMUIKKI-UHFFFAOYSA-N -1 0 306.278 -0.008 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)OCCCNC(=O)[O-])C1=O ZINC000739074910 602224807 /nfs/dbraw/zinc/22/48/07/602224807.db2.gz MRNRCOFAWFHDHH-CYBMUJFWSA-N -1 0 313.310 -0.092 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)OCCCNC(=O)[O-])CC1 ZINC000739985110 602227274 /nfs/dbraw/zinc/22/72/74/602227274.db2.gz HXWWDNXDFMATBK-UHFFFAOYSA-N -1 0 308.356 -0.141 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cn(C)cn1 ZINC000827027826 602230342 /nfs/dbraw/zinc/23/03/42/602230342.db2.gz YTCCAHQJWVMIKL-SECBINFHSA-N -1 0 305.356 -0.081 20 0 DBADRM CCc1cc(=O)[nH]c(CN(CCN2CCOCC2)CC(=O)[O-])n1 ZINC000830224723 602236818 /nfs/dbraw/zinc/23/68/18/602236818.db2.gz UCLLBDWHNWAXHL-UHFFFAOYSA-N -1 0 324.381 -0.037 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)C(=O)[O-] ZINC000262696371 602242762 /nfs/dbraw/zinc/24/27/62/602242762.db2.gz BEYAJLFTSFPTEP-UBHAPETDSA-N -1 0 308.338 -0.081 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1)C(=O)[O-] ZINC000262696372 602242935 /nfs/dbraw/zinc/24/29/35/602242935.db2.gz BEYAJLFTSFPTEP-UISBYWKRSA-N -1 0 308.338 -0.081 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000818675203 602253500 /nfs/dbraw/zinc/25/35/00/602253500.db2.gz RPZAKTITXSVPKO-HLTSFMKQSA-N -1 0 302.327 -0.054 20 0 DBADRM CCN(CCNC(=O)c1ccc(S(=O)(=O)NC)o1)C(=O)[O-] ZINC000739434239 602258596 /nfs/dbraw/zinc/25/85/96/602258596.db2.gz MNQUCOIWMVGYFO-UHFFFAOYSA-N -1 0 319.339 -0.083 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@@H]1CCNC(=O)C1)C(=O)[O-] ZINC000828720888 602261094 /nfs/dbraw/zinc/26/10/94/602261094.db2.gz ZKILLGGUAFMQOY-YGOYTEALSA-N -1 0 314.338 -0.329 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@H]1CCNC(=O)C1)C(=O)[O-] ZINC000828720885 602261157 /nfs/dbraw/zinc/26/11/57/602261157.db2.gz ZKILLGGUAFMQOY-HOTUBEGUSA-N -1 0 314.338 -0.329 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)[C@H]1CCNC(=O)C1)C(=O)[O-] ZINC000826792601 602261377 /nfs/dbraw/zinc/26/13/77/602261377.db2.gz CHAYQXSIJMHDRF-UWVGGRQHSA-N -1 0 314.338 -0.329 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000833014747 602268787 /nfs/dbraw/zinc/26/87/87/602268787.db2.gz WURBMAAIATUVHU-VIFPVBQESA-N -1 0 313.310 -0.452 20 0 DBADRM COC(=O)[C@@H](C)NC(=O)c1cncc(C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000831215534 602273585 /nfs/dbraw/zinc/27/35/85/602273585.db2.gz YSNIBASWGZQFTR-HTQZYQBOSA-N -1 0 323.305 -0.424 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC000827333993 602276912 /nfs/dbraw/zinc/27/69/12/602276912.db2.gz QZDOJJGEQNXKIQ-VIFPVBQESA-N -1 0 300.311 -0.621 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000825841640 602279560 /nfs/dbraw/zinc/27/95/60/602279560.db2.gz UZHNUBOSQLZONU-UWVGGRQHSA-N -1 0 314.338 -0.280 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCN(C)C(=O)[O-])C1 ZINC000739515673 602295006 /nfs/dbraw/zinc/29/50/06/602295006.db2.gz DMIBKTOKDBSVQM-SNVBAGLBSA-N -1 0 321.399 -0.226 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)NC2(C(N)=O)CC2)c(C(=O)[O-])c1C ZINC000825928822 602303579 /nfs/dbraw/zinc/30/35/79/602303579.db2.gz HXUVTGARDFAJHI-UHFFFAOYSA-N -1 0 307.306 -0.099 20 0 DBADRM O=C([O-])N1CCC[C@@H](C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)C1 ZINC000738716621 602308469 /nfs/dbraw/zinc/30/84/69/602308469.db2.gz BIKKXVOHDQMXIO-SCZZXKLOSA-N -1 0 309.322 -0.218 20 0 DBADRM Cc1cc(=O)[nH]c(CN(CCN2CCOCC2)CC(=O)[O-])n1 ZINC000832899322 602312138 /nfs/dbraw/zinc/31/21/38/602312138.db2.gz NANDVGADBAYEDL-UHFFFAOYSA-N -1 0 310.354 -0.291 20 0 DBADRM CCN(CCNC(=O)CCCN1C(=O)CN(C)C1=O)C(=O)[O-] ZINC000739426333 602315429 /nfs/dbraw/zinc/31/54/29/602315429.db2.gz WIDKFODCLQKTQO-UHFFFAOYSA-N -1 0 314.342 -0.223 20 0 DBADRM CN(C1CCN(C(=O)NCCNC(=O)[O-])CC1)S(C)(=O)=O ZINC000739618235 602321989 /nfs/dbraw/zinc/32/19/89/602321989.db2.gz YBNBIFSHYINACX-UHFFFAOYSA-N -1 0 322.387 -0.681 20 0 DBADRM CN(CC(=O)N[C@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21)C(=O)[O-] ZINC000739623540 602324229 /nfs/dbraw/zinc/32/42/29/602324229.db2.gz GEFSHXQMSOMZCD-VIFPVBQESA-N -1 0 322.321 -0.011 20 0 DBADRM CN(CC(=O)NCc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000739624737 602324604 /nfs/dbraw/zinc/32/46/04/602324604.db2.gz XIKSZBNELUIKRP-UHFFFAOYSA-N -1 0 301.324 -0.440 20 0 DBADRM CNS(=O)(=O)c1cccc(CNC(=O)CN(C)C(=O)[O-])c1 ZINC000739750974 602325428 /nfs/dbraw/zinc/32/54/28/602325428.db2.gz UWKFGJFMBOJTEK-UHFFFAOYSA-N -1 0 315.351 -0.179 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000827421930 602330090 /nfs/dbraw/zinc/33/00/90/602330090.db2.gz FOHAKYZWCBSXDE-JGVFFNPUSA-N -1 0 301.386 -0.550 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000827422017 602330129 /nfs/dbraw/zinc/33/01/29/602330129.db2.gz IDFYTJBUEJLYBC-SSDOTTSWSA-N -1 0 324.380 -0.186 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000739528373 602332393 /nfs/dbraw/zinc/33/23/93/602332393.db2.gz KMGMPPUWCZWDFJ-JTQLQIEISA-N -1 0 315.351 -0.004 20 0 DBADRM O=C([O-])NCCCNC(=S)NCCCN1CCOCC1 ZINC000740653590 602335723 /nfs/dbraw/zinc/33/57/23/602335723.db2.gz ZDVUFPXOVUHXCG-UHFFFAOYSA-N -1 0 304.416 -0.170 20 0 DBADRM CN(CCNC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)[O-] ZINC000739699177 602340414 /nfs/dbraw/zinc/34/04/14/602340414.db2.gz UYGIDOGBMFLLRP-UHFFFAOYSA-N -1 0 315.351 -0.185 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC000740334503 602342990 /nfs/dbraw/zinc/34/29/90/602342990.db2.gz PHJLMYYTERPXGX-VIFPVBQESA-N -1 0 316.383 -0.941 20 0 DBADRM CC(C)N(CCCNC(=O)CN(C)S(C)(=O)=O)C(=O)[O-] ZINC000738849597 602354566 /nfs/dbraw/zinc/35/45/66/602354566.db2.gz JHFDFEPDUBEVBV-UHFFFAOYSA-N -1 0 309.388 -0.228 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000739993174 602356781 /nfs/dbraw/zinc/35/67/81/602356781.db2.gz WDRKINISHVGFGV-MRVPVSSYSA-N -1 0 323.396 -0.857 20 0 DBADRM Cn1cc(NC(=O)NCCN2C(=O)CNC2=O)cc1C(=O)[O-] ZINC000833051920 602359951 /nfs/dbraw/zinc/35/99/51/602359951.db2.gz WXZKYEUJTDQBSD-UHFFFAOYSA-N -1 0 309.282 -0.603 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NC[C@@]2(CCO)CCOC2)n1 ZINC000833276036 602365776 /nfs/dbraw/zinc/36/57/76/602365776.db2.gz LZJWNGXBHXESLT-CYBMUJFWSA-N -1 0 312.326 -0.122 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)NCC)CC1 ZINC000739314637 602375756 /nfs/dbraw/zinc/37/57/56/602375756.db2.gz VJLJYUBOLKUMRM-NSHDSACASA-N -1 0 314.386 -0.297 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCNC(=O)[C@H]1CC(=O)OC ZINC000739307773 602386528 /nfs/dbraw/zinc/38/65/28/602386528.db2.gz AYUKGQFQHIAZPK-RKDXNWHRSA-N -1 0 315.326 -0.687 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000739527785 602388218 /nfs/dbraw/zinc/38/82/18/602388218.db2.gz IEWVNILWTPXATG-JTQLQIEISA-N -1 0 315.351 -0.004 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)NCCCNC(=O)[O-])CC1 ZINC000739983531 602393018 /nfs/dbraw/zinc/39/30/18/602393018.db2.gz AUQUVNYZTSBNLU-UHFFFAOYSA-N -1 0 322.387 -0.633 20 0 DBADRM COCCS(=O)(=O)CC(=O)N(CC(=O)[O-])C1CCCC1 ZINC000831788098 602399429 /nfs/dbraw/zinc/39/94/29/602399429.db2.gz FJVPUFMFZYDFPR-UHFFFAOYSA-N -1 0 307.368 -0.097 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N(CC(=O)[O-])C2CCCC2)c1=O ZINC000314743325 602400256 /nfs/dbraw/zinc/40/02/56/602400256.db2.gz ORZYVMWWWMJSNR-UHFFFAOYSA-N -1 0 309.322 -0.597 20 0 DBADRM Cn1cc(C(=O)N(CC(=O)[O-])C2CCCC2)c(=O)n(C)c1=O ZINC000833042146 602400543 /nfs/dbraw/zinc/40/05/43/602400543.db2.gz WRKYLRFRHMYJHT-UHFFFAOYSA-N -1 0 309.322 -0.447 20 0 DBADRM NC(=O)CC1(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCC1 ZINC000761321181 602401297 /nfs/dbraw/zinc/40/12/97/602401297.db2.gz NBAYXKHYIDWZTF-UHFFFAOYSA-N -1 0 301.324 -0.211 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC000828557268 602401327 /nfs/dbraw/zinc/40/13/27/602401327.db2.gz JDACJIOZZYMWCV-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC000828557271 602401340 /nfs/dbraw/zinc/40/13/40/602401340.db2.gz JDACJIOZZYMWCV-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@H](O)c2cccc(F)c2)nn1 ZINC000833121021 602401437 /nfs/dbraw/zinc/40/14/37/602401437.db2.gz ARQZLNCNTFKMLN-NSHDSACASA-N -1 0 308.269 -0.035 20 0 DBADRM COc1cccc([C@@H](O)CNC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000832532863 602401956 /nfs/dbraw/zinc/40/19/56/602401956.db2.gz GSGMBXXODKZBOJ-LBPRGKRZSA-N -1 0 320.305 -0.165 20 0 DBADRM NC(=O)NC[C@H]1CCCN(C(=O)NCCCNC(=O)[O-])C1 ZINC000740333281 602404219 /nfs/dbraw/zinc/40/42/19/602404219.db2.gz SXEDQQAKTFMGEI-SECBINFHSA-N -1 0 301.347 -0.266 20 0 DBADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 ZINC000738995781 602405017 /nfs/dbraw/zinc/40/50/17/602405017.db2.gz FUDAJQOOZHCNRQ-SECBINFHSA-N -1 0 321.399 -0.228 20 0 DBADRM CN(CCNC(=O)c1ccc(CS(N)(=O)=O)cc1)C(=O)[O-] ZINC000739697630 602405828 /nfs/dbraw/zinc/40/58/28/602405828.db2.gz FBNWCTHJOBVTQV-UHFFFAOYSA-N -1 0 315.351 -0.185 20 0 DBADRM O=C([O-])NCCCNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 ZINC000740652795 602406953 /nfs/dbraw/zinc/40/69/53/602406953.db2.gz LEYODKCSUZMSOO-UHFFFAOYSA-N -1 0 320.305 -0.124 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739038233 602407095 /nfs/dbraw/zinc/40/70/95/602407095.db2.gz JQJIFDGJUNHDIN-VIFPVBQESA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739038232 602407312 /nfs/dbraw/zinc/40/73/12/602407312.db2.gz JQJIFDGJUNHDIN-SECBINFHSA-N -1 0 321.399 -0.228 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)c1=O ZINC000740274995 602412644 /nfs/dbraw/zinc/41/26/44/602412644.db2.gz GCZZAZOLIYATFA-SNVBAGLBSA-N -1 0 324.337 -0.947 20 0 DBADRM CC(C)N(CCCNC(=O)NCCS(N)(=O)=O)C(=O)[O-] ZINC000738846672 602415857 /nfs/dbraw/zinc/41/58/57/602415857.db2.gz NZACJBXOZCSRDO-UHFFFAOYSA-N -1 0 310.376 -0.647 20 0 DBADRM CN(C)c1ccc(NC(=O)C(=O)NCCCNC(=O)[O-])cn1 ZINC000739615695 602426598 /nfs/dbraw/zinc/42/65/98/602426598.db2.gz BXAKCOBAKQBIEE-UHFFFAOYSA-N -1 0 309.326 -0.140 20 0 DBADRM NC(=O)Cc1ccc(NC(=O)C(=O)NCCCNC(=O)[O-])cc1 ZINC000740332307 602426821 /nfs/dbraw/zinc/42/68/21/602426821.db2.gz UHYXOWHIZSCUMQ-UHFFFAOYSA-N -1 0 322.321 -0.573 20 0 DBADRM CN(C[C@@H]1CCN(C(=S)NCCS(C)(=O)=O)C1)C(=O)[O-] ZINC000739659359 602430303 /nfs/dbraw/zinc/43/03/03/602430303.db2.gz JHEDIOONLWFLBW-VIFPVBQESA-N -1 0 323.440 -0.163 20 0 DBADRM CS(=O)(=O)CCNC(=S)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739985007 602430583 /nfs/dbraw/zinc/43/05/83/602430583.db2.gz SKDMOMVJTSDNSR-MRVPVSSYSA-N -1 0 309.413 -0.505 20 0 DBADRM CS(=O)(=O)CCNC(=S)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739981803 602430673 /nfs/dbraw/zinc/43/06/73/602430673.db2.gz BVJLJXQMNZKFCW-SECBINFHSA-N -1 0 323.440 -0.115 20 0 DBADRM CN(CCNC(=O)NCCNC(=O)c1cccnc1)C(=O)[O-] ZINC000739691832 602443470 /nfs/dbraw/zinc/44/34/70/602443470.db2.gz GMAKJUOUDNANMS-UHFFFAOYSA-N -1 0 309.326 -0.280 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000740340559 602447655 /nfs/dbraw/zinc/44/76/55/602447655.db2.gz FQEXNAPQHKCEHN-JTQLQIEISA-N -1 0 319.383 -0.344 20 0 DBADRM O=C([O-])NCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000740602185 602464566 /nfs/dbraw/zinc/46/45/66/602464566.db2.gz WVYKSGGIKNNLSX-VHSXEESVSA-N -1 0 320.367 -0.551 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000739267285 602470049 /nfs/dbraw/zinc/47/00/49/602470049.db2.gz YJMMULOGOBHKLA-OQPBUACISA-N -1 0 312.326 -0.425 20 0 DBADRM CN(CCNC(=O)c1ccc(S(N)(=O)=O)s1)C(=O)[O-] ZINC000739698536 602471020 /nfs/dbraw/zinc/47/10/20/602471020.db2.gz OYKFLPMOOQUZDE-UHFFFAOYSA-N -1 0 307.353 -0.265 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC000740389882 602471534 /nfs/dbraw/zinc/47/15/34/602471534.db2.gz YJEMTRGRIJMPKP-VIFPVBQESA-N -1 0 305.294 -0.636 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000740014156 602474249 /nfs/dbraw/zinc/47/42/49/602474249.db2.gz WTSQLXSBUSCTAF-QMMMGPOBSA-N -1 0 310.397 -0.367 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCCCNC(=O)[O-] ZINC000740034110 602475156 /nfs/dbraw/zinc/47/51/56/602475156.db2.gz WDQWOWZXLFBMJU-UHFFFAOYSA-N -1 0 307.310 -0.353 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCCCNC(=O)[O-])s1 ZINC000740339851 602475166 /nfs/dbraw/zinc/47/51/66/602475166.db2.gz BGIOHDBWYWAHKC-UHFFFAOYSA-N -1 0 307.353 -0.217 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000739193343 602476370 /nfs/dbraw/zinc/47/63/70/602476370.db2.gz YQUQGUKQGAKNHN-ZJUUUORDSA-N -1 0 303.384 -0.124 20 0 DBADRM CN(C[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1)C(=O)[O-] ZINC000739642653 602479888 /nfs/dbraw/zinc/47/98/88/602479888.db2.gz BFKSQYVUOXQTOH-SECBINFHSA-N -1 0 312.326 -0.661 20 0 DBADRM CN(C[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1)C(=O)[O-] ZINC000739657073 602485249 /nfs/dbraw/zinc/48/52/49/602485249.db2.gz LSQFTNDGEAJRET-MRVPVSSYSA-N -1 0 310.310 -0.442 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CN1CCCC1=O ZINC000739686016 602493327 /nfs/dbraw/zinc/49/33/27/602493327.db2.gz UJYFAGPSGYAYGS-UHFFFAOYSA-N -1 0 312.370 -0.637 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000736420994 602495584 /nfs/dbraw/zinc/49/55/84/602495584.db2.gz KNNCFGBKQVFYEY-SECBINFHSA-N -1 0 322.387 -0.984 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000739989496 602497034 /nfs/dbraw/zinc/49/70/34/602497034.db2.gz AWPMVUADQDRVOW-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000740341733 602497213 /nfs/dbraw/zinc/49/72/13/602497213.db2.gz LWGAITWGNJRKOU-UHFFFAOYSA-N -1 0 307.372 -0.439 20 0 DBADRM COC(=O)[C@H]1C[C@H]1C(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739774946 602498631 /nfs/dbraw/zinc/49/86/31/602498631.db2.gz VQQUEZAHWRUVCO-MNOVXSKESA-N -1 0 313.354 -0.451 20 0 DBADRM CCc1nc(CN2CCN(C(=O)CN(C)C(=O)[O-])CC2)no1 ZINC000737280991 602500104 /nfs/dbraw/zinc/50/01/04/602500104.db2.gz ZERROEBHMTZFQL-UHFFFAOYSA-N -1 0 311.342 -0.114 20 0 DBADRM CN(CCCC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1)C(=O)[O-] ZINC000737419269 602500771 /nfs/dbraw/zinc/50/07/71/602500771.db2.gz VRIRAIQDQZHWLQ-SNVBAGLBSA-N -1 0 321.399 -0.097 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000739750123 602517970 /nfs/dbraw/zinc/51/79/70/602517970.db2.gz LUJQPAIPGVTKDZ-JTQLQIEISA-N -1 0 319.383 -0.331 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC(S(=O)(=O)NC)CC1 ZINC000739523745 602517972 /nfs/dbraw/zinc/51/79/72/602517972.db2.gz LUDQESFLJPZTLH-VIFPVBQESA-N -1 0 307.372 -0.427 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000737933147 602524810 /nfs/dbraw/zinc/52/48/10/602524810.db2.gz GBBJHMSKXNLZJO-UHFFFAOYSA-N -1 0 310.310 -0.300 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cs1 ZINC000740339334 602534706 /nfs/dbraw/zinc/53/47/06/602534706.db2.gz YXLFUYXIHSBNGL-SSDOTTSWSA-N -1 0 319.364 -0.122 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N[C@@H]1CCN(C(=O)[O-])C1)n1cccn1 ZINC000738599229 602535938 /nfs/dbraw/zinc/53/59/38/602535938.db2.gz DROLGXJIFHCSIE-GHMZBOCLSA-N -1 0 323.353 -0.229 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)[O-])C1)n1cccn1 ZINC000738599235 602535942 /nfs/dbraw/zinc/53/59/42/602535942.db2.gz DROLGXJIFHCSIE-MNOVXSKESA-N -1 0 323.353 -0.229 20 0 DBADRM COC(=O)CCNC(=O)CN1CCC(N(C)C(=O)[O-])CC1 ZINC000738039504 602537357 /nfs/dbraw/zinc/53/73/57/602537357.db2.gz WPQLIEMISOBKFG-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM COCCN1C(=O)C[C@H](N2CCC(N(C)C(=O)[O-])CC2)C1=O ZINC000739828391 602540012 /nfs/dbraw/zinc/54/00/12/602540012.db2.gz HONOSTOQJRWLCT-NSHDSACASA-N -1 0 313.354 -0.166 20 0 DBADRM CCc1nc(CN(C)CC(=O)N2CCN(C(=O)[O-])CC2)no1 ZINC000739552442 602550053 /nfs/dbraw/zinc/55/00/53/602550053.db2.gz OKNPWSGUUWBUCB-UHFFFAOYSA-N -1 0 311.342 -0.114 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)CC(=O)NC(=O)NCC(F)(F)F ZINC000738943166 602556163 /nfs/dbraw/zinc/55/61/63/602556163.db2.gz ZBMLYINLQNDCSG-ZCFIWIBFSA-N -1 0 314.264 -0.038 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000737927396 602561250 /nfs/dbraw/zinc/56/12/50/602561250.db2.gz BUMBYBOKWJMDBQ-SECBINFHSA-N -1 0 319.383 -0.043 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000737927397 602561421 /nfs/dbraw/zinc/56/14/21/602561421.db2.gz BUMBYBOKWJMDBQ-VIFPVBQESA-N -1 0 319.383 -0.043 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)NCCNC(=O)[O-] ZINC000739779224 602562658 /nfs/dbraw/zinc/56/26/58/602562658.db2.gz MUKDRLMURHAQRN-UHFFFAOYSA-N -1 0 306.300 -0.949 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)NC)CC1 ZINC000739241781 602566941 /nfs/dbraw/zinc/56/69/41/602566941.db2.gz ZSKQKFQHCAVYCY-JQWIXIFHSA-N -1 0 314.386 -0.441 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(C(=O)[O-])C2)C[C@H](C)O1 ZINC000739196762 602568980 /nfs/dbraw/zinc/56/89/80/602568980.db2.gz WDNQZZSNEWIEJJ-KXUCPTDWSA-N -1 0 307.372 -0.318 20 0 DBADRM O=C(CNC(=O)N[C@@H]1CCN(C(=O)[O-])C1)NCc1ccco1 ZINC000740377372 602576542 /nfs/dbraw/zinc/57/65/42/602576542.db2.gz JMOIDMUYDAQJOE-SECBINFHSA-N -1 0 310.310 -0.053 20 0 DBADRM COCCn1nc(C(=O)NC[C@H]2CCCN2C(=O)[O-])ccc1=O ZINC000739843270 602579748 /nfs/dbraw/zinc/57/97/48/602579748.db2.gz RYCWRNHCYYCSAT-SNVBAGLBSA-N -1 0 324.337 -0.238 20 0 DBADRM COC(=O)CSCCNC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739766679 602580189 /nfs/dbraw/zinc/58/01/89/602580189.db2.gz YPYYTONRGSPMME-MRVPVSSYSA-N -1 0 305.356 -0.056 20 0 DBADRM Cn1nnnc1SCCC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000740304512 602589826 /nfs/dbraw/zinc/58/98/26/602589826.db2.gz WAUQWORVTRULGD-MRVPVSSYSA-N -1 0 314.371 -0.049 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)[C@H](O)c1cccnc1 ZINC000739683128 602591962 /nfs/dbraw/zinc/59/19/62/602591962.db2.gz XZXBZGZFHSYYMX-CYBMUJFWSA-N -1 0 322.365 -0.131 20 0 DBADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC000739000035 602592392 /nfs/dbraw/zinc/59/23/92/602592392.db2.gz PZWVJOBDRZQRRB-MRVPVSSYSA-N -1 0 312.326 -0.567 20 0 DBADRM CS(=O)(=O)CCCNC(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000739984827 602599289 /nfs/dbraw/zinc/59/92/89/602599289.db2.gz SQKLNNGMLLEGJA-VIFPVBQESA-N -1 0 307.372 -0.137 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCCn1ccnc1 ZINC000739682626 602608733 /nfs/dbraw/zinc/60/87/33/602608733.db2.gz ABRUPKSHULDHME-UHFFFAOYSA-N -1 0 324.385 -0.180 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000738912292 602615436 /nfs/dbraw/zinc/61/54/36/602615436.db2.gz PEATXDYQBUHLJS-GHMZBOCLSA-N -1 0 300.359 -0.241 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000738912295 602615660 /nfs/dbraw/zinc/61/56/60/602615660.db2.gz PEATXDYQBUHLJS-QWRGUYRKSA-N -1 0 300.359 -0.241 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000739516201 602616990 /nfs/dbraw/zinc/61/69/90/602616990.db2.gz QQBZYIZJKHKIHS-QMMMGPOBSA-N -1 0 310.376 -0.777 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000739703429 602616267 /nfs/dbraw/zinc/61/62/67/602616267.db2.gz CIBVRRGIIFNHMH-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000739703427 602616362 /nfs/dbraw/zinc/61/63/62/602616362.db2.gz CIBVRRGIIFNHMH-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM CN(C(=O)NC[C@@H]1CCCN1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739575405 602617959 /nfs/dbraw/zinc/61/79/59/602617959.db2.gz IFSFUKIIHASQBR-VHSXEESVSA-N -1 0 319.383 -0.043 20 0 DBADRM CC[C@@](C)(O)CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739217420 602621542 /nfs/dbraw/zinc/62/15/42/602621542.db2.gz DHPSHNOFCPFGRT-CYBMUJFWSA-N -1 0 316.358 -0.731 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NCCN2CCCS2(=O)=O)C1 ZINC000740438463 602624220 /nfs/dbraw/zinc/62/42/20/602624220.db2.gz HMFVZJKIFTZOIO-SECBINFHSA-N -1 0 320.371 -0.927 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)NCCN(C)C(=O)[O-])CC1 ZINC000739517480 602632881 /nfs/dbraw/zinc/63/28/81/602632881.db2.gz MYZOLWYVMUZLBE-UHFFFAOYSA-N -1 0 322.387 -0.727 20 0 DBADRM CN(CCN1CCOCC1)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739687954 602632977 /nfs/dbraw/zinc/63/29/77/602632977.db2.gz UDQJYJRXOVWONL-LLVKDONJSA-N -1 0 300.359 -0.288 20 0 DBADRM CCN(CCNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739425075 602635582 /nfs/dbraw/zinc/63/55/82/602635582.db2.gz KKKVTQJHEAXTAB-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)C1)C(=O)[O-] ZINC000739740949 602637523 /nfs/dbraw/zinc/63/75/23/602637523.db2.gz BTLXKBXJUOINRU-NWDGAFQWSA-N -1 0 314.386 -0.042 20 0 DBADRM CN1CCO[C@@H](CNC(=O)N2CC[C@H](CNC(=O)[O-])C2)C1 ZINC000739746059 602638651 /nfs/dbraw/zinc/63/86/51/602638651.db2.gz ZKDYMYXNZJGEHY-MNOVXSKESA-N -1 0 300.359 -0.384 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000736371040 602639379 /nfs/dbraw/zinc/63/93/79/602639379.db2.gz YIMVGRMFDPIEQC-SECBINFHSA-N -1 0 300.315 -0.663 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000739315667 602639790 /nfs/dbraw/zinc/63/97/90/602639790.db2.gz QOYOUHSIAWWYGE-NSHDSACASA-N -1 0 314.386 -0.297 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000740668529 602658436 /nfs/dbraw/zinc/65/84/36/602658436.db2.gz UHRIPACAEMVRJM-LBPRGKRZSA-N -1 0 315.370 -0.406 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000740668527 602658447 /nfs/dbraw/zinc/65/84/47/602658447.db2.gz UHRIPACAEMVRJM-GFCCVEGCSA-N -1 0 315.370 -0.406 20 0 DBADRM CN(CCOC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000737996390 602659046 /nfs/dbraw/zinc/65/90/46/602659046.db2.gz CYHKHQMOUHAZDR-VIFPVBQESA-N -1 0 308.356 -0.047 20 0 DBADRM O=C([O-])NCCOCC(=O)Nc1cccc(-n2cnnn2)c1 ZINC000740669630 602659807 /nfs/dbraw/zinc/65/98/07/602659807.db2.gz YMKFSPLJWIHYCD-UHFFFAOYSA-N -1 0 306.282 -0.115 20 0 DBADRM O=C([O-])NCCOCC(=O)Nc1ccc(-n2nccn2)nc1 ZINC000740668803 602662085 /nfs/dbraw/zinc/66/20/85/602662085.db2.gz RZEGFSQIBWMEJA-UHFFFAOYSA-N -1 0 306.282 -0.115 20 0 DBADRM C[C@](NC(=O)COCCNC(=O)[O-])(C(N)=O)c1ccccc1 ZINC000738964772 602663724 /nfs/dbraw/zinc/66/37/24/602663724.db2.gz FCFZOZYWDPXILM-CQSZACIVSA-N -1 0 309.322 -0.213 20 0 DBADRM CN(Cc1nnc2ccccn21)C(=O)COCCNC(=O)[O-] ZINC000739721140 602663920 /nfs/dbraw/zinc/66/39/20/602663920.db2.gz VJNXYDNHCJIOCU-UHFFFAOYSA-N -1 0 307.310 -0.028 20 0 DBADRM O=C([O-])NCCOCC(=O)NCC(=O)NC1CCCCC1 ZINC000740666961 602664167 /nfs/dbraw/zinc/66/41/67/602664167.db2.gz JIYLZYUDQNZYKQ-UHFFFAOYSA-N -1 0 301.343 -0.164 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCC(C2OCCO2)CC1 ZINC000740663807 602664636 /nfs/dbraw/zinc/66/46/36/602664636.db2.gz MNTDZQLGPISIGR-UHFFFAOYSA-N -1 0 302.327 -0.118 20 0 DBADRM O=C([O-])NCCOCC(=O)NCCN1C(=O)Cc2ccccc21 ZINC000740665131 602665105 /nfs/dbraw/zinc/66/51/05/602665105.db2.gz SHMCTTBFQXQJJB-UHFFFAOYSA-N -1 0 321.333 -0.024 20 0 DBADRM CC(=O)N1CCC(CNC(=O)COCCNC(=O)[O-])CC1 ZINC000738513234 602665557 /nfs/dbraw/zinc/66/55/57/602665557.db2.gz PALSVBAPXKOHNF-UHFFFAOYSA-N -1 0 301.343 -0.355 20 0 DBADRM O=C([O-])NCCOCC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000740663045 602666280 /nfs/dbraw/zinc/66/62/80/602666280.db2.gz BXVGVXIXDFEIEK-JTQLQIEISA-N -1 0 320.367 -0.551 20 0 DBADRM CC[C@@H](O)CN1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000739277442 602666716 /nfs/dbraw/zinc/66/67/16/602666716.db2.gz KQSMIQNNJFJKSU-LLVKDONJSA-N -1 0 303.359 -0.814 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNc2ccc3nccnc3n2)CC1 ZINC000740525703 602670882 /nfs/dbraw/zinc/67/08/82/602670882.db2.gz WGQXLUUGKVFYIW-UHFFFAOYSA-N -1 0 316.321 -0.368 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(N)=NOCC(=O)N1CCO[C@@H](C)C1 ZINC000739130275 602672291 /nfs/dbraw/zinc/67/22/91/602672291.db2.gz BWULVPRVGCGCLF-UWVGGRQHSA-N -1 0 316.358 -0.022 20 0 DBADRM NC(=O)c1cc(NC(=O)COCCNC(=O)[O-])cc(C(N)=O)c1 ZINC000740334902 602673735 /nfs/dbraw/zinc/67/37/35/602673735.db2.gz ZBKYIMWBPYVQGR-UHFFFAOYSA-N -1 0 324.293 -0.893 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCCCN1C(=O)CCC1=O ZINC000740427808 602675230 /nfs/dbraw/zinc/67/52/30/602675230.db2.gz BRVSCDOTRFSARY-MRVPVSSYSA-N -1 0 315.351 -0.305 20 0 DBADRM COCCN(C(=O)[C@H](C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739812726 602675376 /nfs/dbraw/zinc/67/53/76/602675376.db2.gz NWXYLWXAFHBCJN-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)O[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739986646 602678023 /nfs/dbraw/zinc/67/80/23/602678023.db2.gz SYBUSURYGGVMKL-SNVBAGLBSA-N -1 0 320.367 -0.047 20 0 DBADRM O=C([O-])N1CCN(C(=O)NCCCN2C(=O)CCC2=O)CC1 ZINC000738647697 602678534 /nfs/dbraw/zinc/67/85/34/602678534.db2.gz PALQOZHYDGMQFX-UHFFFAOYSA-N -1 0 312.326 -0.469 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)O[C@@H]1CCN(C(=O)[O-])C1 ZINC000740354613 602681608 /nfs/dbraw/zinc/68/16/08/602681608.db2.gz OBKIRKBXGCLKEL-SNVBAGLBSA-N -1 0 300.311 -0.079 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000737162489 602683056 /nfs/dbraw/zinc/68/30/56/602683056.db2.gz QTFDNSJDLIZOPI-LLVKDONJSA-N -1 0 303.359 -0.814 20 0 DBADRM CCOC[C@@H](O)CN1CCN(C(=O)[C@H](CC)NC(=O)[O-])CC1 ZINC000739487140 602683670 /nfs/dbraw/zinc/68/36/70/602683670.db2.gz CDAMUIJRXSNIBB-RYUDHWBXSA-N -1 0 317.386 -0.426 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)O[C@@H]1CCN(C(=O)[O-])C1)c2=O ZINC000740297240 602686478 /nfs/dbraw/zinc/68/64/78/602686478.db2.gz MCTIGCWGKICMHI-MRVPVSSYSA-N -1 0 321.293 -0.575 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)C2CCC(NC(=O)[O-])CC2)C1 ZINC000740340828 602690205 /nfs/dbraw/zinc/69/02/05/602690205.db2.gz HRCJTHJQYIBNGF-RTBKNWGFSA-N -1 0 319.383 -0.298 20 0 DBADRM C[C@@](O)(CNC(=O)NCCN1CCN(C(=O)[O-])CC1)C1CC1 ZINC000739037264 602692825 /nfs/dbraw/zinc/69/28/25/602692825.db2.gz MBISARPPYGNBDJ-CQSZACIVSA-N -1 0 314.386 -0.258 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739758792 602701748 /nfs/dbraw/zinc/70/17/48/602701748.db2.gz GCNICYUSUFBHCR-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM COC1(C(=O)N2CC(n3cncn3)C2)CCN(C(=O)[O-])CC1 ZINC000739795278 602711178 /nfs/dbraw/zinc/71/11/78/602711178.db2.gz DGLBTYJZFUDOQN-UHFFFAOYSA-N -1 0 309.326 -0.180 20 0 DBADRM CS(=O)(=O)CCNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000739985883 602713645 /nfs/dbraw/zinc/71/36/45/602713645.db2.gz ZNJZNAZVXRYBLE-VIFPVBQESA-N -1 0 307.372 -0.280 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000739836314 602721418 /nfs/dbraw/zinc/72/14/18/602721418.db2.gz CFZPNCTVOIFRLL-SECBINFHSA-N -1 0 308.356 -0.742 20 0 DBADRM CNC(=O)NC(=O)COC(=O)c1csc(CNC(=O)[O-])n1 ZINC000739748137 602723001 /nfs/dbraw/zinc/72/30/01/602723001.db2.gz IAFCILFYGWMMNK-UHFFFAOYSA-N -1 0 316.295 -0.477 20 0 DBADRM CS(=O)(=O)CCNC(=S)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000739983237 602725863 /nfs/dbraw/zinc/72/58/63/602725863.db2.gz IAVDACKPEPJVDF-SECBINFHSA-N -1 0 323.440 -0.115 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000739466208 602728687 /nfs/dbraw/zinc/72/86/87/602728687.db2.gz PQPPBWVWXUZKMX-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)CN(C)C(=O)[O-])CC1 ZINC000737350909 602733395 /nfs/dbraw/zinc/73/33/95/602733395.db2.gz VSKMICGWNCMPIX-UHFFFAOYSA-N -1 0 300.359 -0.735 20 0 DBADRM C[C@H](NC(=O)CN1CCN(C(=O)[O-])C[C@H]1C)C(=O)N(C)C ZINC000738960098 602737745 /nfs/dbraw/zinc/73/77/45/602737745.db2.gz FWUZCJPPHSFHTB-ZJUUUORDSA-N -1 0 300.359 -0.737 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CCCN(C(=O)[O-])CC1 ZINC000739367927 602739152 /nfs/dbraw/zinc/73/91/52/602739152.db2.gz QQYIHAUWLXOQQH-UHFFFAOYSA-N -1 0 314.386 -0.343 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CCN(C(=O)[O-])C[C@H]1C ZINC000739809003 602739208 /nfs/dbraw/zinc/73/92/08/602739208.db2.gz WMQPLMAMGIGYBY-VHSXEESVSA-N -1 0 316.358 -0.469 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCC1(C)COC1 ZINC000739683186 602741214 /nfs/dbraw/zinc/74/12/14/602741214.db2.gz FQVKKMZBLHTAOL-UHFFFAOYSA-N -1 0 314.386 -0.040 20 0 DBADRM NS(=O)(=O)c1cccnc1N1CC[C@H](CNC(=O)[O-])C1 ZINC000740340756 602749107 /nfs/dbraw/zinc/74/91/07/602749107.db2.gz AAWFMGOFBJUDDV-MRVPVSSYSA-N -1 0 300.340 -0.177 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000739516152 602749649 /nfs/dbraw/zinc/74/96/49/602749649.db2.gz PRKQJNNAGYJPBN-VIFPVBQESA-N -1 0 322.387 -0.681 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H](C)N1C(=O)[O-] ZINC000739137825 602752460 /nfs/dbraw/zinc/75/24/60/602752460.db2.gz VGJRKUPBJGENRS-NXEZZACHSA-N -1 0 324.337 -0.854 20 0 DBADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)CCNS(C)(=O)=O)CC1 ZINC000738996532 602755935 /nfs/dbraw/zinc/75/59/35/602755935.db2.gz HRZCCOPDNPEEOS-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739464468 602756485 /nfs/dbraw/zinc/75/64/85/602756485.db2.gz FLMPGXDXCQVQIJ-SECBINFHSA-N -1 0 322.387 -0.775 20 0 DBADRM CCN(CC(=O)N1CCC[C@H](S(=O)(=O)NC)C1)C(=O)[O-] ZINC000739389636 602758712 /nfs/dbraw/zinc/75/87/12/602758712.db2.gz HUWBJYKHFYLNNK-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])c(=O)n(C)c1=O ZINC000740281531 602760588 /nfs/dbraw/zinc/76/05/88/602760588.db2.gz SAKMQKCMGCUZCN-WCBMZHEXSA-N -1 0 324.337 -0.750 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H](C)N1C(=O)[O-] ZINC000739166002 602763147 /nfs/dbraw/zinc/76/31/47/602763147.db2.gz JDIKYEPDMWRLMY-OCAPTIKFSA-N -1 0 310.310 -0.301 20 0 DBADRM O=C(C[C@H]1CCCN1C(=O)[O-])NCCN1CCCS1(=O)=O ZINC000831335174 602771716 /nfs/dbraw/zinc/77/17/16/602771716.db2.gz QWDLJFPKDREHHE-SNVBAGLBSA-N -1 0 319.383 -0.329 20 0 DBADRM C[C@H](CC(=O)Nc1ccc(C(=O)NCC(N)=O)cc1)NC(=O)[O-] ZINC000824687064 602772949 /nfs/dbraw/zinc/77/29/49/602772949.db2.gz ULNDHYVQTVYNFH-MRVPVSSYSA-N -1 0 322.321 -0.114 20 0 DBADRM COC1(C(=O)N(C)CC(=O)NC2CC2)CCN(C(=O)[O-])CC1 ZINC000739794973 602775166 /nfs/dbraw/zinc/77/51/66/602775166.db2.gz CNGWPOIMHVUNNW-UHFFFAOYSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000825193326 602788857 /nfs/dbraw/zinc/78/88/57/602788857.db2.gz IBOXLAZBVHMMDP-WPRPVWTQSA-N -1 0 324.341 -0.586 20 0 DBADRM CNC(=O)CCCNC(=O)C1(OC)CCN(C(=O)[O-])CC1 ZINC000739741247 602796445 /nfs/dbraw/zinc/79/64/45/602796445.db2.gz PJLGOLXUGDOFNJ-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NC[C@@H](NC(=O)[O-])C(C)C ZINC000739515449 602803200 /nfs/dbraw/zinc/80/32/00/602803200.db2.gz MSSNJNUYZDIJSQ-SECBINFHSA-N -1 0 324.403 -0.483 20 0 DBADRM C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@@H](C)N1C(=O)[O-] ZINC000739128516 602809284 /nfs/dbraw/zinc/80/92/84/602809284.db2.gz WGWVZILCVLRGOK-NXEZZACHSA-N -1 0 324.337 -0.474 20 0 DBADRM CCN(CC(=O)OCC(=O)N(C)Cc1cnn(C)c1)C(=O)[O-] ZINC000739400932 602816310 /nfs/dbraw/zinc/81/63/10/602816310.db2.gz UIZXNVSTFSJHHL-UHFFFAOYSA-N -1 0 312.326 -0.078 20 0 DBADRM NC(=O)CN1CCC(NC(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC000740335196 602821571 /nfs/dbraw/zinc/82/15/71/602821571.db2.gz ZLHVUCGBRVKIIA-VIFPVBQESA-N -1 0 316.383 -0.895 20 0 DBADRM C[C@@H](NC(=O)CN1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1)C(=O)N(C)C ZINC000738961019 602827915 /nfs/dbraw/zinc/82/79/15/602827915.db2.gz KITJXHWUHQYSLR-OUAUKWLOSA-N -1 0 314.386 -0.348 20 0 DBADRM CN(C)C(=O)CN(C)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739596648 602829243 /nfs/dbraw/zinc/82/92/43/602829243.db2.gz OSYWWJRYKGNIMP-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM NC(=O)Cn1cc(C(=O)Nc2ccc(NC(=O)[O-])nc2)nn1 ZINC000831199836 602830598 /nfs/dbraw/zinc/83/05/98/602830598.db2.gz KJVJQLGTJGWTCX-UHFFFAOYSA-N -1 0 305.254 -0.499 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)N2CCS(=O)(=O)CC2)o1 ZINC000832684928 602831990 /nfs/dbraw/zinc/83/19/90/602831990.db2.gz XKNLSPJQWVCRON-UHFFFAOYSA-N -1 0 302.308 -0.082 20 0 DBADRM Cn1cnnc1C1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000740293389 602842506 /nfs/dbraw/zinc/84/25/06/602842506.db2.gz CRUBPPRIGKWSAD-NSHDSACASA-N -1 0 323.353 -0.100 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H](NC(=O)[O-])C(C)C)CCO1 ZINC000739754879 602845717 /nfs/dbraw/zinc/84/57/17/602845717.db2.gz ALRVGOIJWSISLT-UWVGGRQHSA-N -1 0 317.342 -0.138 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCCN(C(=O)[O-])CC1 ZINC000738799316 602845740 /nfs/dbraw/zinc/84/57/40/602845740.db2.gz YZIZYOZHBPCKKX-JTQLQIEISA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000738910953 602846238 /nfs/dbraw/zinc/84/62/38/602846238.db2.gz IZWVCEAWGYMPOP-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NC[C@H](NC(=O)[O-])C(C)C)CCO1 ZINC000739754880 602847443 /nfs/dbraw/zinc/84/74/43/602847443.db2.gz ALRVGOIJWSISLT-VHSXEESVSA-N -1 0 317.342 -0.138 20 0 DBADRM NC(=O)CN(CC(N)=O)C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000740333166 602848631 /nfs/dbraw/zinc/84/86/31/602848631.db2.gz BLCOPVGFQVRJTE-UHFFFAOYSA-N -1 0 308.294 -0.882 20 0 DBADRM NC(=O)CN(CC(N)=O)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000740333666 602848638 /nfs/dbraw/zinc/84/86/38/602848638.db2.gz DZPIZYRKVIUMNK-UHFFFAOYSA-N -1 0 312.257 -0.672 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NC1CCN(C(=O)[O-])CC1 ZINC000736340916 602849850 /nfs/dbraw/zinc/84/98/50/602849850.db2.gz COZPJRJCSMFGHH-UHFFFAOYSA-N -1 0 307.372 -0.427 20 0 DBADRM NC(=O)CN1CCCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000831189727 602850063 /nfs/dbraw/zinc/85/00/63/602850063.db2.gz DMNSJDHIOGCRSH-NSHDSACASA-N -1 0 312.370 -0.462 20 0 DBADRM NC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000740333785 602850600 /nfs/dbraw/zinc/85/06/00/602850600.db2.gz WCWFVFBLMGZJPG-UWVGGRQHSA-N -1 0 314.342 -0.728 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)NCCN1C(=O)CNC1=O ZINC000740019853 602850976 /nfs/dbraw/zinc/85/09/76/602850976.db2.gz XLWAXAXOKGUVRV-SSDOTTSWSA-N -1 0 318.355 -0.956 20 0 DBADRM O=C([O-])NC1CCC(C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000740552034 602851389 /nfs/dbraw/zinc/85/13/89/602851389.db2.gz ISUJOUOXNQJELS-UHFFFAOYSA-N -1 0 312.326 -0.519 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)COCCNC(=O)[O-] ZINC000738649142 602853226 /nfs/dbraw/zinc/85/32/26/602853226.db2.gz AFSHMMYZOBEJJC-RKDXNWHRSA-N -1 0 310.372 -0.449 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739247268 602853306 /nfs/dbraw/zinc/85/33/06/602853306.db2.gz VDLPTLRZPCDKMO-VHSXEESVSA-N -1 0 301.343 -0.214 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(C)(C)NC(=O)[O-])C1 ZINC000737553646 602854694 /nfs/dbraw/zinc/85/46/94/602854694.db2.gz UYURKASLXXWOAB-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000739316058 602854703 /nfs/dbraw/zinc/85/47/03/602854703.db2.gz UGKCCYXXAQPKLJ-ZJUUUORDSA-N -1 0 321.399 -0.037 20 0 DBADRM COCCN(C(=O)C[C@@H](C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000828964105 602857360 /nfs/dbraw/zinc/85/73/60/602857360.db2.gz LBZYWPASUGBCNW-ZJUUUORDSA-N -1 0 322.383 -0.305 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCc1nnc2n1CCC2 ZINC000740446880 602855443 /nfs/dbraw/zinc/85/54/43/602855443.db2.gz MTWXOKFIHQWFOR-VIFPVBQESA-N -1 0 309.326 -0.738 20 0 DBADRM C[C@H](NC(=O)[C@H]1COCCN1C(=O)[O-])c1nnc2n1CCC2 ZINC000738959425 602859930 /nfs/dbraw/zinc/85/99/30/602859930.db2.gz RXEQOFYYYDHBOP-DTWKUNHWSA-N -1 0 309.326 -0.220 20 0 DBADRM C[C@@H]1CC(=O)N(CN(C)CC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739071614 602860032 /nfs/dbraw/zinc/86/00/32/602860032.db2.gz BOEBUVYANOCECG-LLVKDONJSA-N -1 0 312.370 -0.434 20 0 DBADRM CC(=O)NCC1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000738552430 602860486 /nfs/dbraw/zinc/86/04/86/602860486.db2.gz RSQIDZYHJGOTIR-GFCCVEGCSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])C(=O)NC(C)(C)C ZINC000738960181 602863086 /nfs/dbraw/zinc/86/30/86/602863086.db2.gz UPIQTTPZXZCQLB-IUCAKERBSA-N -1 0 301.343 -0.215 20 0 DBADRM CCCN1C(=O)C(=O)N(CN2CCN(C(=O)[O-])C[C@@H]2C)C1=O ZINC000739364036 602863531 /nfs/dbraw/zinc/86/35/31/602863531.db2.gz OZEVPHPVXOPFCO-VIFPVBQESA-N -1 0 312.326 -0.171 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)Oc1ccc(C(=O)NCC(N)=O)cc1 ZINC000738992848 602867273 /nfs/dbraw/zinc/86/72/73/602867273.db2.gz BMJZOMIFFATTPW-SSDOTTSWSA-N -1 0 309.278 -0.537 20 0 DBADRM CNC(=O)C1CCC(NC(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739739789 602870055 /nfs/dbraw/zinc/87/00/55/602870055.db2.gz VQEJYTNAGQWERX-ILDUYXDCSA-N -1 0 313.354 -0.214 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCCNc1ncccn1 ZINC000740426974 602870753 /nfs/dbraw/zinc/87/07/53/602870753.db2.gz GSQNJHFGQDSKNN-SNVBAGLBSA-N -1 0 309.326 -0.226 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739813318 602871049 /nfs/dbraw/zinc/87/10/49/602871049.db2.gz NVZNOPIJJFMCMA-UWVGGRQHSA-N -1 0 309.388 -0.118 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739813314 602871099 /nfs/dbraw/zinc/87/10/99/602871099.db2.gz NVZNOPIJJFMCMA-AOOOYVTPSA-N -1 0 309.388 -0.118 20 0 DBADRM CN1CCO[C@H](CNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC000739745954 602871492 /nfs/dbraw/zinc/87/14/92/602871492.db2.gz YLCMLPFHKCWIAC-NWDGAFQWSA-N -1 0 315.370 -0.408 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739739816 602877270 /nfs/dbraw/zinc/87/72/70/602877270.db2.gz VUNHUWRFSOTOQZ-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CCc1nnc2n1C[C@@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])CC2 ZINC000739559709 602877336 /nfs/dbraw/zinc/87/73/36/602877336.db2.gz PEQGFTOXRSYLPR-UWVGGRQHSA-N -1 0 323.353 -0.350 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000739775404 602881454 /nfs/dbraw/zinc/88/14/54/602881454.db2.gz IPRQCWWOFZPBCE-NXEZZACHSA-N -1 0 315.326 -0.288 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCC(=O)Nc1ccccn1 ZINC000740356650 602882094 /nfs/dbraw/zinc/88/20/94/602882094.db2.gz MGQYYHIHHCFJJB-SNVBAGLBSA-N -1 0 322.321 -0.095 20 0 DBADRM C[C@@H](CC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1)NC(=O)[O-] ZINC000824580509 602888663 /nfs/dbraw/zinc/88/86/63/602888663.db2.gz IIKQCANEDZWIOK-DTWKUNHWSA-N -1 0 307.372 -0.440 20 0 DBADRM C[C@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])[C@H](C)N1CCOCC1 ZINC000738957296 602889796 /nfs/dbraw/zinc/88/97/96/602889796.db2.gz IFFXXPPRMWVXPR-SRVKXCTJSA-N -1 0 315.370 -0.409 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000740353624 602891206 /nfs/dbraw/zinc/89/12/06/602891206.db2.gz ZCUJKZHGIDALJL-WDEREUQCSA-N -1 0 309.326 -0.180 20 0 DBADRM CC(C)(CCC(=O)OCC(=O)N1CCNC(=O)C1)NC(=O)[O-] ZINC000738744900 602894093 /nfs/dbraw/zinc/89/40/93/602894093.db2.gz KWMITZLTTFIYHD-UHFFFAOYSA-N -1 0 315.326 -0.686 20 0 DBADRM CC(C)(CCC(=O)OCCN1C(=O)CNC1=O)NC(=O)[O-] ZINC000738746895 602894801 /nfs/dbraw/zinc/89/48/01/602894801.db2.gz ZKZDWRSJZQDGKP-UHFFFAOYSA-N -1 0 301.299 -0.092 20 0 DBADRM C[C@H]1CN(C(=O)NCCS(C)(=O)=O)C[C@H](C)N1C(=O)[O-] ZINC000739141373 602895333 /nfs/dbraw/zinc/89/53/33/602895333.db2.gz OSJSTHVKSMKASQ-IUCAKERBSA-N -1 0 307.372 -0.187 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000738757184 602896621 /nfs/dbraw/zinc/89/66/21/602896621.db2.gz BKEHXAAGFVYWKE-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM O=C(COC(=O)[C@@H]1CCN(C(=O)[O-])C1)NC[C@H]1CCCO1 ZINC000740377697 602896900 /nfs/dbraw/zinc/89/69/00/602896900.db2.gz MGUHSKNZORRWFC-NXEZZACHSA-N -1 0 300.311 -0.175 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000827267206 602898910 /nfs/dbraw/zinc/89/89/10/602898910.db2.gz YYVCSAGEFAKYSR-UHFFFAOYSA-N -1 0 319.339 -0.284 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCN(C)C(=O)[O-])C1 ZINC000739749103 602900833 /nfs/dbraw/zinc/90/08/33/602900833.db2.gz GRSXYLKQLOSHDP-VIFPVBQESA-N -1 0 322.387 -0.681 20 0 DBADRM C[C@H](NC(=O)NCCN1CCN(C(=O)[O-])CC1)C(C)(C)O ZINC000738985268 602907864 /nfs/dbraw/zinc/90/78/64/602907864.db2.gz XONBBWWCPQTSMT-JTQLQIEISA-N -1 0 302.375 -0.259 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCOC[C@@H]1CCCO1 ZINC000740445165 602909007 /nfs/dbraw/zinc/90/90/07/602909007.db2.gz WBHXCHFYHOYDNQ-WDEREUQCSA-N -1 0 302.327 -0.323 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(C(=O)NCCNC(=O)[O-])c1 ZINC000740344023 602910629 /nfs/dbraw/zinc/91/06/29/602910629.db2.gz SSIOMWXKLYAPRY-UHFFFAOYSA-N -1 0 305.287 -0.530 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCCCN1C(=O)CNC1=O ZINC000736381782 602915935 /nfs/dbraw/zinc/91/59/35/602915935.db2.gz XZNQOVZTSDWJHA-SECBINFHSA-N -1 0 301.299 -0.236 20 0 DBADRM O=C([O-])N1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000738645364 602917249 /nfs/dbraw/zinc/91/72/49/602917249.db2.gz XCLMOSAWYPUVRN-JTQLQIEISA-N -1 0 308.342 -0.012 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCCOC[C@H]1CCOC1 ZINC000740429274 602917946 /nfs/dbraw/zinc/91/79/46/602917946.db2.gz DQWAZRCTYOFBDN-VXGBXAGGSA-N -1 0 316.354 -0.075 20 0 DBADRM C[C@@H](CC(=O)NCCC(=O)N1CCN(C)CC1)NC(=O)[O-] ZINC000824637609 602924415 /nfs/dbraw/zinc/92/44/15/602924415.db2.gz UHLZHUYIDLKEHG-JTQLQIEISA-N -1 0 300.359 -0.687 20 0 DBADRM O=C(CN1CCCS1(=O)=O)OC[C@H]1CCCN1C(=O)[O-] ZINC000740370092 602924281 /nfs/dbraw/zinc/92/42/81/602924281.db2.gz UEUVNKSAKQKSEK-SECBINFHSA-N -1 0 306.340 -0.293 20 0 DBADRM C[C@H]1CN(C(=O)Cn2nc3ccccn3c2=O)CCN1C(=O)[O-] ZINC000739136168 602926502 /nfs/dbraw/zinc/92/65/02/602926502.db2.gz QJRDZEFBVUDWJA-JTQLQIEISA-N -1 0 319.321 -0.293 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)N[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000739457925 602931983 /nfs/dbraw/zinc/93/19/83/602931983.db2.gz VQOPZPNQWZMKKT-QWRGUYRKSA-N -1 0 300.359 -0.241 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)C[C@@H](C)NC(=O)[O-])C1 ZINC000828573592 602932772 /nfs/dbraw/zinc/93/27/72/602932772.db2.gz UJBAZILJXUBVER-BDAKNGLRSA-N -1 0 307.372 -0.427 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C[C@H](C)NC(=O)[O-])C1 ZINC000828573593 602932924 /nfs/dbraw/zinc/93/29/24/602932924.db2.gz UJBAZILJXUBVER-DTWKUNHWSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)COCCNC(=O)[O-])CCO1 ZINC000739138209 602933282 /nfs/dbraw/zinc/93/32/82/602933282.db2.gz WYOKKQDKIVAOIN-SECBINFHSA-N -1 0 304.299 -0.939 20 0 DBADRM C[C@@H](CO)[C@@H](C)NC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000738938448 602935651 /nfs/dbraw/zinc/93/56/51/602935651.db2.gz HRTZJEWQKQKZQQ-WDEREUQCSA-N -1 0 302.375 -0.402 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)OC[C@H]2CCCN2C(=O)[O-])C1=O ZINC000739728063 602935739 /nfs/dbraw/zinc/93/57/39/602935739.db2.gz LHOSEYZFCCDPND-SSDOTTSWSA-N -1 0 313.266 -0.907 20 0 DBADRM CNC(=O)NC(=O)COC(=O)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739748795 602937094 /nfs/dbraw/zinc/93/70/94/602937094.db2.gz LUWFSHLCTHTYNM-JTQLQIEISA-N -1 0 309.278 -0.006 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CCN(C(=O)[O-])[C@@H](C)C1)C(C)C ZINC000739805141 602940399 /nfs/dbraw/zinc/94/03/99/602940399.db2.gz MDMRCOWIJVDRBM-JQWIXIFHSA-N -1 0 315.370 -0.016 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CCN1C(=O)[O-] ZINC000739124432 602942472 /nfs/dbraw/zinc/94/24/72/602942472.db2.gz HGQGZGCQMVCQQZ-NXEZZACHSA-N -1 0 319.383 -0.379 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000739993498 602943280 /nfs/dbraw/zinc/94/32/80/602943280.db2.gz ZJMYZAVOBRIQIA-ZJUUUORDSA-N -1 0 319.383 -0.474 20 0 DBADRM CC(C)[C@@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)NC(=O)[O-] ZINC000738795208 602950854 /nfs/dbraw/zinc/95/08/54/602950854.db2.gz VDMXCIITVSWMTN-SECBINFHSA-N -1 0 312.326 -0.894 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H](C)N1C(=O)[O-] ZINC000739170506 602951621 /nfs/dbraw/zinc/95/16/21/602951621.db2.gz UJTLGWFDACRPSB-DTORHVGOSA-N -1 0 324.337 -0.703 20 0 DBADRM COC(=O)Cc1nc(NC(=O)CN(CC2CC2)C(=O)[O-])n[nH]1 ZINC000828700201 602952347 /nfs/dbraw/zinc/95/23/47/602952347.db2.gz QYWOLOQMKLHULK-UHFFFAOYSA-N -1 0 311.298 -0.151 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])C1 ZINC000829688068 602954710 /nfs/dbraw/zinc/95/47/10/602954710.db2.gz PCUOHRYWQAOREJ-ZJUUUORDSA-N -1 0 319.383 -0.331 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000739586738 602956046 /nfs/dbraw/zinc/95/60/46/602956046.db2.gz RJWIRCAKIXHKBI-VIFPVBQESA-N -1 0 324.337 -0.702 20 0 DBADRM Cn1cc(C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740284135 602957332 /nfs/dbraw/zinc/95/73/32/602957332.db2.gz KOGLYKMXCPXQLL-VIFPVBQESA-N -1 0 324.337 -0.796 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000736607897 602957795 /nfs/dbraw/zinc/95/77/95/602957795.db2.gz ZQRUVOFJXOHRKI-MRVPVSSYSA-N -1 0 307.372 -0.139 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000738136787 602961746 /nfs/dbraw/zinc/96/17/46/602961746.db2.gz ZEGGLIBKJGKYOX-ZJUUUORDSA-N -1 0 319.383 -0.474 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCCN2C(=O)[O-])C1 ZINC000739989879 602963382 /nfs/dbraw/zinc/96/33/82/602963382.db2.gz DMNJHNPUYAAXSM-NXEZZACHSA-N -1 0 319.383 -0.331 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000739227166 602963401 /nfs/dbraw/zinc/96/34/01/602963401.db2.gz QFKDYUKVXTYZDO-GUBZILKMSA-N -1 0 321.399 -0.181 20 0 DBADRM Cn1cc(C(=O)OC[C@H]2CCCN2C(=O)[O-])c(=O)n(C)c1=O ZINC000740288022 602971505 /nfs/dbraw/zinc/97/15/05/602971505.db2.gz SXGPASWPUZXSKX-MRVPVSSYSA-N -1 0 311.294 -0.617 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)CCNC(=O)[O-])n1 ZINC000738127781 602973469 /nfs/dbraw/zinc/97/34/69/602973469.db2.gz WGNBSGGHYDWVFB-UHFFFAOYSA-N -1 0 304.328 -0.476 20 0 DBADRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000740619507 602979106 /nfs/dbraw/zinc/97/91/06/602979106.db2.gz CXPXZVLDPZNGGP-BDAKNGLRSA-N -1 0 310.310 -0.499 20 0 DBADRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000740619512 602979362 /nfs/dbraw/zinc/97/93/62/602979362.db2.gz CXPXZVLDPZNGGP-RKDXNWHRSA-N -1 0 310.310 -0.499 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000738951083 602979919 /nfs/dbraw/zinc/97/99/19/602979919.db2.gz OIPGSGWEIOVANF-DTWKUNHWSA-N -1 0 307.372 -0.281 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000738951826 602980154 /nfs/dbraw/zinc/98/01/54/602980154.db2.gz QBXCXKVFONCVEH-DTWKUNHWSA-N -1 0 307.372 -0.187 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)N1CCN(C(=O)[O-])CC1 ZINC000737220167 602980181 /nfs/dbraw/zinc/98/01/81/602980181.db2.gz HQKTUSOPXVQDRX-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)CN1CCC(=O)NC1=O ZINC000738807706 602982993 /nfs/dbraw/zinc/98/29/93/602982993.db2.gz RWPCXCLDDGEDEJ-SECBINFHSA-N -1 0 314.342 -0.273 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)COCCNC(=O)[O-])C[C@@H]1C ZINC000739042052 602984601 /nfs/dbraw/zinc/98/46/01/602984601.db2.gz CGUTUOJUZPGAGS-QWRGUYRKSA-N -1 0 303.359 -0.816 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740246761 602985508 /nfs/dbraw/zinc/98/55/08/602985508.db2.gz QXINYFWLGHUQTR-UHFFFAOYSA-N -1 0 309.326 -0.202 20 0 DBADRM C[C@@H](CC(=O)Nc1ccn(CCS(C)(=O)=O)n1)NC(=O)[O-] ZINC000824710413 602986596 /nfs/dbraw/zinc/98/65/96/602986596.db2.gz IRZPHTABKJOSHG-QMMMGPOBSA-N -1 0 318.355 -0.088 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NCCCN1C(=O)CNC1=O ZINC000740573225 602992023 /nfs/dbraw/zinc/99/20/23/602992023.db2.gz TYPVQZJYAIJLFH-IUCAKERBSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NCCCN1C(=O)CNC1=O ZINC000740573223 602992060 /nfs/dbraw/zinc/99/20/60/602992060.db2.gz TYPVQZJYAIJLFH-DTWKUNHWSA-N -1 0 312.326 -0.519 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CCC[C@H]1NC(=O)[O-])NS(C)(=O)=O ZINC000738747153 602993870 /nfs/dbraw/zinc/99/38/70/602993870.db2.gz NXKRDPXFYDKPLN-DTWKUNHWSA-N -1 0 321.399 -0.133 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-])NS(C)(=O)=O ZINC000738747150 602994003 /nfs/dbraw/zinc/99/40/03/602994003.db2.gz NXKRDPXFYDKPLN-BDAKNGLRSA-N -1 0 321.399 -0.133 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCCc2nccs2)C(=O)C1 ZINC000740367987 602998640 /nfs/dbraw/zinc/99/86/40/602998640.db2.gz GOPHPPYYAQXRGZ-UHFFFAOYSA-N -1 0 312.351 -0.376 20 0 DBADRM COCCN(CC(F)F)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739829137 602999543 /nfs/dbraw/zinc/99/95/43/602999543.db2.gz PDZHUHBZZDEDDD-UHFFFAOYSA-N -1 0 323.296 -0.451 20 0 DBADRM COCCN1CCN(C(=O)NCCN(C)C(=O)[O-])C[C@H]1C ZINC000739834478 603002634 /nfs/dbraw/zinc/00/26/34/603002634.db2.gz OGCRIXBJLOORGK-LLVKDONJSA-N -1 0 302.375 -0.042 20 0 DBADRM Cc1noc(C)c1CCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740262427 603003271 /nfs/dbraw/zinc/00/32/71/603003271.db2.gz DQSGWTCYKFSSRZ-UHFFFAOYSA-N -1 0 324.337 -0.228 20 0 DBADRM COCC(=O)N[C@H](C(=O)N[C@@H]1CCN(C(=O)[O-])C1)C(C)C ZINC000739806385 603004474 /nfs/dbraw/zinc/00/44/74/603004474.db2.gz SGGVBKNOUNQQFM-KOLCDFICSA-N -1 0 301.343 -0.358 20 0 DBADRM C[C@H]1CSCCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739187625 603009241 /nfs/dbraw/zinc/00/92/41/603009241.db2.gz HQAYXUKDZXOULM-VIFPVBQESA-N -1 0 301.368 -0.228 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000739621987 603013240 /nfs/dbraw/zinc/01/32/40/603013240.db2.gz RETZECZCTWMPEC-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)[O-])CCO1 ZINC000738550474 603013768 /nfs/dbraw/zinc/01/37/68/603013768.db2.gz KSYJNCYFDHCYHG-NXEZZACHSA-N -1 0 317.367 -0.597 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(=O)[O-])CCO1 ZINC000738550609 603013957 /nfs/dbraw/zinc/01/39/57/603013957.db2.gz LXRDYMKHEOBHDV-VXGBXAGGSA-N -1 0 313.354 -0.118 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CSCN2C(=O)[O-])CCO1 ZINC000738550483 603014069 /nfs/dbraw/zinc/01/40/69/603014069.db2.gz KSYJNCYFDHCYHG-UWVGGRQHSA-N -1 0 317.367 -0.597 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)C2(NC(=O)[O-])CCCC2)CCO1 ZINC000738553340 603014115 /nfs/dbraw/zinc/01/41/15/603014115.db2.gz WHUWIGXWZVQFDS-LLVKDONJSA-N -1 0 313.354 -0.070 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)C(C)(C)NC(=O)[O-])C2=O)cn1 ZINC000739033043 603014496 /nfs/dbraw/zinc/01/44/96/603014496.db2.gz DDFAQKYDBRGYLF-SECBINFHSA-N -1 0 309.326 -0.312 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[O-])C2=O)cn1 ZINC000740289410 603015652 /nfs/dbraw/zinc/01/56/52/603015652.db2.gz IASJVOITXQYOME-MNOVXSKESA-N -1 0 321.337 -0.216 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000740561519 603017033 /nfs/dbraw/zinc/01/70/33/603017033.db2.gz CWSWUKWQURTVQD-BDAKNGLRSA-N -1 0 324.337 -0.377 20 0 DBADRM CN(CCc1ccccn1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739705822 603019567 /nfs/dbraw/zinc/01/95/67/603019567.db2.gz URWFKXXMXIIUKT-UHFFFAOYSA-N -1 0 320.349 -0.095 20 0 DBADRM CC(C)(CC(=O)NCC1(C(N)=O)CCOCC1)NC(=O)[O-] ZINC000738729456 603020606 /nfs/dbraw/zinc/02/06/06/603020606.db2.gz CCWDXHDGYXFITA-UHFFFAOYSA-N -1 0 301.343 -0.179 20 0 DBADRM NC(=O)C1(CNC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])CCOCC1 ZINC000740326354 603021363 /nfs/dbraw/zinc/02/13/63/603021363.db2.gz VFUZUHOAZUKDAY-VHSXEESVSA-N -1 0 313.354 -0.179 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000736365701 603027068 /nfs/dbraw/zinc/02/70/68/603027068.db2.gz SBJAJFOFEJKUHT-WDEREUQCSA-N -1 0 311.342 -0.202 20 0 DBADRM O=C([O-])N1CCC(C(=O)N2CCO[C@@H](Cn3cncn3)C2)CC1 ZINC000738638124 603027425 /nfs/dbraw/zinc/02/74/25/603027425.db2.gz FMZOIPQZTXIALK-GFCCVEGCSA-N -1 0 323.353 -0.105 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)[O-])CCO1 ZINC000739471852 603033147 /nfs/dbraw/zinc/03/31/47/603033147.db2.gz FKVRWBFAMDIJKA-RKDXNWHRSA-N -1 0 318.351 -0.170 20 0 DBADRM Cn1nnnc1SCCC(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000740305125 603034877 /nfs/dbraw/zinc/03/48/77/603034877.db2.gz RFKBNUWZIIGYDB-MRVPVSSYSA-N -1 0 314.371 -0.145 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)CN1CC(=O)NC1=O)c1ccccc1 ZINC000740538797 603035077 /nfs/dbraw/zinc/03/50/77/603035077.db2.gz QTTMBSRYNABMFL-JTQLQIEISA-N -1 0 320.305 -0.337 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739515092 603035126 /nfs/dbraw/zinc/03/51/26/603035126.db2.gz LFQLFBBJSXBDAG-ZJUUUORDSA-N -1 0 321.399 -0.132 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)o1 ZINC000740341912 603036163 /nfs/dbraw/zinc/03/61/63/603036163.db2.gz WNVSMOXMJSNZCT-ZETCQYMHSA-N -1 0 317.323 -0.297 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNC(=O)NCCN1C(=O)CCC1=O ZINC000740441383 603038391 /nfs/dbraw/zinc/03/83/91/603038391.db2.gz ZJKDZDKUIWDYEU-VIFPVBQESA-N -1 0 312.326 -0.423 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)CN1CCCS1(=O)=O)C1CC1 ZINC000740599121 603042793 /nfs/dbraw/zinc/04/27/93/603042793.db2.gz ALKRVBPRZVDXSH-SECBINFHSA-N -1 0 305.356 -0.816 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(C(=O)NCCN2C(=O)CCC2=O)C1 ZINC000740638554 603044151 /nfs/dbraw/zinc/04/41/51/603044151.db2.gz BJLAMIAMHUMGKX-VIFPVBQESA-N -1 0 312.326 -0.566 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@H](CNC(=O)[O-])C2CC2)CC1=O ZINC000739827921 603046831 /nfs/dbraw/zinc/04/68/31/603046831.db2.gz ATIQNRXQCSJJFD-GHMZBOCLSA-N -1 0 313.354 -0.356 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000738550576 603047346 /nfs/dbraw/zinc/04/73/46/603047346.db2.gz LQPDPUBVTIINRK-QWRGUYRKSA-N -1 0 314.342 -0.715 20 0 DBADRM CC(C)(CC(=O)N1CCC[C@H]1CS(N)(=O)=O)NC(=O)[O-] ZINC000738733055 603050247 /nfs/dbraw/zinc/05/02/47/603050247.db2.gz WUZLDGNJAZKLIC-QMMMGPOBSA-N -1 0 307.372 -0.298 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)CCCN1C(=O)CNC1=O)C1CC1 ZINC000740602908 603050495 /nfs/dbraw/zinc/05/04/95/603050495.db2.gz RIHLEPYCECTQDT-SECBINFHSA-N -1 0 312.326 -0.519 20 0 DBADRM CCCN1C(=O)C(=O)N(CN2CCN(C(=O)[O-])[C@H](C)C2)C1=O ZINC000739361952 603054015 /nfs/dbraw/zinc/05/40/15/603054015.db2.gz IKLFFEULGJSEKU-SECBINFHSA-N -1 0 312.326 -0.171 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])C1 ZINC000739989370 603054018 /nfs/dbraw/zinc/05/40/18/603054018.db2.gz AFYIHIRLBUQJSN-UTLUCORTSA-N -1 0 319.383 -0.427 20 0 DBADRM CC(C)(CNC(=O)C(C)(C)NC(=O)[O-])N1CCS(=O)CC1 ZINC000736329108 603054154 /nfs/dbraw/zinc/05/41/54/603054154.db2.gz URISSKLRGJLZEM-UHFFFAOYSA-N -1 0 319.427 -0.008 20 0 DBADRM CN(CCCC(=O)NCC1(O)CCS(=O)(=O)CC1)C(=O)[O-] ZINC000739668965 603055676 /nfs/dbraw/zinc/05/56/76/603055676.db2.gz MIGHHLXGLZAHLW-UHFFFAOYSA-N -1 0 322.383 -0.568 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)C(C)(C)NC(=O)[O-])CC2)n1C ZINC000738931085 603056273 /nfs/dbraw/zinc/05/62/73/603056273.db2.gz DDOBARMUIVBVIQ-UHFFFAOYSA-N -1 0 324.385 -0.186 20 0 DBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000738773073 603058086 /nfs/dbraw/zinc/05/80/86/603058086.db2.gz RUAGERPTHPOGQP-CYBMUJFWSA-N -1 0 312.326 -0.253 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000740604027 603058230 /nfs/dbraw/zinc/05/82/30/603058230.db2.gz XOOSZCZBHGNQRW-WCBMZHEXSA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])N1CCC[C@H]1C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000740347657 603060924 /nfs/dbraw/zinc/06/09/24/603060924.db2.gz PKTWIEZUSBYGDK-QWRGUYRKSA-N -1 0 309.326 -0.352 20 0 DBADRM O=C([O-])N1CCC[C@@H]1C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000740347658 603061300 /nfs/dbraw/zinc/06/13/00/603061300.db2.gz PKTWIEZUSBYGDK-WDEREUQCSA-N -1 0 309.326 -0.352 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000740340680 603061392 /nfs/dbraw/zinc/06/13/92/603061392.db2.gz ILWZFBYCYVFFKU-RYUDHWBXSA-N -1 0 320.349 -0.157 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N[C@@H](CNC(=O)[O-])C2CC2)C1=O ZINC000739074068 603061433 /nfs/dbraw/zinc/06/14/33/603061433.db2.gz ITLIZSATWQFOEX-QMMMGPOBSA-N -1 0 312.326 -0.521 20 0 DBADRM NC(=O)Nc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000740334042 603064992 /nfs/dbraw/zinc/06/49/92/603064992.db2.gz XCLGACCXSZTRCO-WDEREUQCSA-N -1 0 322.321 -0.093 20 0 DBADRM NC(=O)COc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000740332453 603066460 /nfs/dbraw/zinc/06/64/60/603066460.db2.gz VZWIIVOAGIFMIE-ONGXEEELSA-N -1 0 323.305 -0.398 20 0 DBADRM CN1CC(=O)N(CC(=O)N2CCN(C(=O)[O-])CC2(C)C)C1=O ZINC000739723987 603066998 /nfs/dbraw/zinc/06/69/98/603066998.db2.gz PGEQKWVCVAPZEV-UHFFFAOYSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)NCc1ccccc1 ZINC000740375803 603070045 /nfs/dbraw/zinc/07/00/45/603070045.db2.gz BQFIMYCTSWOHKZ-NWDGAFQWSA-N -1 0 321.333 -0.468 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@H](CNC(=O)[O-])C2CC2)C[C@H](C)O1 ZINC000739186757 603070290 /nfs/dbraw/zinc/07/02/90/603070290.db2.gz CFZJSOATNXGNNU-WCABBAIRSA-N -1 0 321.399 -0.024 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCc1cn2c(n1)CCCC2 ZINC000740452157 603077752 /nfs/dbraw/zinc/07/77/52/603077752.db2.gz SSPPUWXVFQCHOC-WDEREUQCSA-N -1 0 308.338 -0.051 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CC(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000740733785 603077769 /nfs/dbraw/zinc/07/77/69/603077769.db2.gz ZQXLGOWXZRTYDF-AMIZOPFISA-N -1 0 310.310 -0.671 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CCC(NC(=O)[O-])CC2)n1 ZINC000739780166 603080291 /nfs/dbraw/zinc/08/02/91/603080291.db2.gz NRGXUKUEUNSUPH-UHFFFAOYSA-N -1 0 310.310 -0.281 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CC[C@@H](CN(C)C(=O)[O-])C2)n1 ZINC000739781981 603081145 /nfs/dbraw/zinc/08/11/45/603081145.db2.gz ZBKNHAYOGQIGPN-JTQLQIEISA-N -1 0 324.337 -0.081 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000738985670 603082725 /nfs/dbraw/zinc/08/27/25/603082725.db2.gz JYNPRSOCXMTJSO-SFYZADRCSA-N -1 0 309.326 -0.129 20 0 DBADRM CN1CCO[C@@H](CNC(=O)N[C@@H](CNC(=O)[O-])C2CC2)C1 ZINC000739742637 603084486 /nfs/dbraw/zinc/08/44/86/603084486.db2.gz KJPMCUKWZMGKRN-QWRGUYRKSA-N -1 0 300.359 -0.338 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N(C)C1CCN(C(=O)[O-])CC1 ZINC000739040587 603086761 /nfs/dbraw/zinc/08/67/61/603086761.db2.gz UTOUOTNGYHQVBK-QMMMGPOBSA-N -1 0 307.372 -0.475 20 0 DBADRM COCCN(CC(=O)Nc1nc(CC(N)=O)cs1)C(=O)[O-] ZINC000739822767 603089977 /nfs/dbraw/zinc/08/99/77/603089977.db2.gz NUANIYNGCIAGIJ-UHFFFAOYSA-N -1 0 316.339 -0.264 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000739199197 603090167 /nfs/dbraw/zinc/09/01/67/603090167.db2.gz FQCPQGPCULJUOQ-XHNCKOQMSA-N -1 0 315.326 -0.798 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000739190839 603095305 /nfs/dbraw/zinc/09/53/05/603095305.db2.gz PIASZSOGXBEQHE-WCBMZHEXSA-N -1 0 319.383 -0.139 20 0 DBADRM C[C@@](CNC(=O)[O-])(NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)C1CC1 ZINC000738924374 603096745 /nfs/dbraw/zinc/09/67/45/603096745.db2.gz IREIRCKDMFXBBH-LBPRGKRZSA-N -1 0 311.298 -0.364 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@](C)(CNC(=O)[O-])C1CC1 ZINC000739036304 603097519 /nfs/dbraw/zinc/09/75/19/603097519.db2.gz CJFRNRLILKJQPM-WRWORJQWSA-N -1 0 307.372 -0.523 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NC1(CNC(=O)[O-])CCCC1 ZINC000739038682 603098223 /nfs/dbraw/zinc/09/82/23/603098223.db2.gz WNTVXKMPNRWUEL-MRVPVSSYSA-N -1 0 307.372 -0.379 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739514205 603098764 /nfs/dbraw/zinc/09/87/64/603098764.db2.gz FYYXUUPEPFFIGT-DJLDLDEBSA-N -1 0 308.356 -0.961 20 0 DBADRM COCCNC(=O)CNC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739830669 603098990 /nfs/dbraw/zinc/09/89/90/603098990.db2.gz INZICLPWHMLCGF-SCZZXKLOSA-N -1 0 317.342 -0.631 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)NC1(CNC(=O)[O-])CCCC1 ZINC000740343256 603099060 /nfs/dbraw/zinc/09/90/60/603099060.db2.gz SAIXLLKCHUAAPC-UHFFFAOYSA-N -1 0 311.298 -0.220 20 0 DBADRM COCCN(CC(=O)NC1CCN(C(C)=O)CC1)C(=O)[O-] ZINC000739820298 603104840 /nfs/dbraw/zinc/10/48/40/603104840.db2.gz XRJFWYWIRDNMNY-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM COCCN(CC(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000739816830 603105632 /nfs/dbraw/zinc/10/56/32/603105632.db2.gz OPYMSTDWMQHSOU-UHFFFAOYSA-N -1 0 302.327 -0.022 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCCOC[C@@H]1CCCO1 ZINC000740719114 603106131 /nfs/dbraw/zinc/10/61/31/603106131.db2.gz DJGCTGVDPZEYOA-OUAUKWLOSA-N -1 0 303.311 -0.162 20 0 DBADRM CCCNC(=O)[C@H](C)OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739361987 603107136 /nfs/dbraw/zinc/10/71/36/603107136.db2.gz BTPTZPQZBRSGCI-VIFPVBQESA-N -1 0 315.326 -0.734 20 0 DBADRM COCCN(CC(=O)N1CCN(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000739818662 603107467 /nfs/dbraw/zinc/10/74/67/603107467.db2.gz YZTZDXDQOZLMIW-UHFFFAOYSA-N -1 0 316.358 -0.561 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC000738126773 603107590 /nfs/dbraw/zinc/10/75/90/603107590.db2.gz KHHARGNBVKZBSL-QMMMGPOBSA-N -1 0 314.385 -0.907 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N1CCCN(C(=O)[O-])CC1 ZINC000829673769 603107658 /nfs/dbraw/zinc/10/76/58/603107658.db2.gz LNHYIBOFBAWKPM-UHFFFAOYSA-N -1 0 314.385 -0.954 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739039232 603109665 /nfs/dbraw/zinc/10/96/65/603109665.db2.gz ZDYKPRPOXZBMFE-AFPNSQJFSA-N -1 0 307.372 -0.381 20 0 DBADRM CC(C)NC(=O)CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000738854337 603113467 /nfs/dbraw/zinc/11/34/67/603113467.db2.gz DADMPWQGJBPGHF-UHFFFAOYSA-N -1 0 314.386 -0.299 20 0 DBADRM COC1(C(=O)N[C@@H]2CCN(C(N)=O)C2)CCN(C(=O)[O-])CC1 ZINC000739800294 603116531 /nfs/dbraw/zinc/11/65/31/603116531.db2.gz WTDNBEXYRCGZSY-SECBINFHSA-N -1 0 314.342 -0.585 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000739310542 603116731 /nfs/dbraw/zinc/11/67/31/603116731.db2.gz DCQQRGFQNFRCRZ-BDAKNGLRSA-N -1 0 307.372 -0.298 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000737722882 603117806 /nfs/dbraw/zinc/11/78/06/603117806.db2.gz KMCTWABQVYIYLZ-UHFFFAOYSA-N -1 0 312.326 -0.425 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739761711 603121814 /nfs/dbraw/zinc/12/18/14/603121814.db2.gz MSOLRDVHEYLHCT-YUMQZZPRSA-N -1 0 302.283 -0.745 20 0 DBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)CN1C(=O)CN(C)C1=O ZINC000738769212 603122466 /nfs/dbraw/zinc/12/24/66/603122466.db2.gz DIXCJXFOIRIWQY-CYBMUJFWSA-N -1 0 314.342 -0.321 20 0 DBADRM CC(C)(C(=O)N[C@H]1CCCNC1=O)N1CCN(C(=O)[O-])CC1 ZINC000738649051 603124176 /nfs/dbraw/zinc/12/41/76/603124176.db2.gz NJOLYODCEPSYNQ-JTQLQIEISA-N -1 0 312.370 -0.545 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000738951117 603125523 /nfs/dbraw/zinc/12/55/23/603125523.db2.gz PDJBAOZVVVXEBN-VXNVDRBHSA-N -1 0 307.372 -0.235 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000823778547 603126049 /nfs/dbraw/zinc/12/60/49/603126049.db2.gz DQATUYWTDJGCGU-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000738771940 603127108 /nfs/dbraw/zinc/12/71/08/603127108.db2.gz NJGCYTWPKCDGMI-ISVAXAHUSA-N -1 0 314.342 -0.227 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])n1 ZINC000739617231 603127635 /nfs/dbraw/zinc/12/76/35/603127635.db2.gz DJJGUVYVQVUODG-SFYZADRCSA-N -1 0 324.341 -0.001 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)OCC(=O)NC(=O)NC1CC1 ZINC000740576566 603127721 /nfs/dbraw/zinc/12/77/21/603127721.db2.gz AVEAXISDNFESOZ-BDAKNGLRSA-N -1 0 313.310 -0.046 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])n1 ZINC000739617233 603127973 /nfs/dbraw/zinc/12/79/73/603127973.db2.gz DJJGUVYVQVUODG-YUMQZZPRSA-N -1 0 324.341 -0.001 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)N[C@H](CNC(=O)[O-])C2CC2)cn1 ZINC000739747956 603133204 /nfs/dbraw/zinc/13/32/04/603133204.db2.gz FWLILMXLUUNABR-SNVBAGLBSA-N -1 0 324.341 -0.203 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)N[C@@H](CNC(=O)[O-])C2CC2)cn1 ZINC000739747954 603133307 /nfs/dbraw/zinc/13/33/07/603133307.db2.gz FWLILMXLUUNABR-JTQLQIEISA-N -1 0 324.341 -0.203 20 0 DBADRM CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cn1 ZINC000739616422 603134079 /nfs/dbraw/zinc/13/40/79/603134079.db2.gz CBMINTKVLBBMLP-GHMZBOCLSA-N -1 0 308.338 -0.123 20 0 DBADRM CN(C)c1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cn1 ZINC000739616425 603134160 /nfs/dbraw/zinc/13/41/60/603134160.db2.gz CBMINTKVLBBMLP-WDEREUQCSA-N -1 0 308.338 -0.123 20 0 DBADRM O=C([O-])N1CCN(CC(=O)OCCNc2ncccn2)C(=O)C1 ZINC000740374840 603145595 /nfs/dbraw/zinc/14/55/95/603145595.db2.gz VHGCPDFFUQMDRW-UHFFFAOYSA-N -1 0 323.309 -0.746 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCCCN1CCOC1=O ZINC000740721763 603146453 /nfs/dbraw/zinc/14/64/53/603146453.db2.gz UZTQDTAEQKZCMG-RKDXNWHRSA-N -1 0 302.283 -0.515 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N2CC[C@@H](CO)C2)CC1 ZINC000740526769 603146509 /nfs/dbraw/zinc/14/65/09/603146509.db2.gz LEJRFIXWPWDWIS-LLVKDONJSA-N -1 0 300.359 -0.694 20 0 DBADRM NC(=O)c1ccc(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000740331448 603149015 /nfs/dbraw/zinc/14/90/15/603149015.db2.gz LPWRBIVJJQYMRX-GHMZBOCLSA-N -1 0 308.290 -0.058 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)OCC1CCN(C(=O)[O-])CC1 ZINC000740729800 603149981 /nfs/dbraw/zinc/14/99/81/603149981.db2.gz MRPDACXHVQFQAD-UHFFFAOYSA-N -1 0 313.310 -0.139 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)NCC(F)(F)F ZINC000740378035 603157461 /nfs/dbraw/zinc/15/74/61/603157461.db2.gz NRSHGUSSDQPUQM-NTSWFWBYSA-N -1 0 314.216 -0.679 20 0 DBADRM CN(CC1CC1)C(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739632333 603158052 /nfs/dbraw/zinc/15/80/52/603158052.db2.gz BUHNQPUXCFYDML-UWVGGRQHSA-N -1 0 300.311 -0.489 20 0 DBADRM NC(=O)c1cccc(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000740334705 603161655 /nfs/dbraw/zinc/16/16/55/603161655.db2.gz ARPNFEJAIFNEBK-GHMZBOCLSA-N -1 0 308.290 -0.058 20 0 DBADRM O=C([O-])N1CC[C@@H](COC(=O)Cn2ncn3nccc3c2=O)C1 ZINC000740390528 603167890 /nfs/dbraw/zinc/16/78/90/603167890.db2.gz KGSAYTFSNYAABK-SECBINFHSA-N -1 0 321.293 -0.566 20 0 DBADRM O=C(CN1CCCS1(=O)=O)OC[C@H]1CCN(C(=O)[O-])C1 ZINC000740368757 603169792 /nfs/dbraw/zinc/16/97/92/603169792.db2.gz KJLVKPZGTQERML-VIFPVBQESA-N -1 0 306.340 -0.435 20 0 DBADRM Cn1cc(C(=O)OC[C@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740286080 603174247 /nfs/dbraw/zinc/17/42/47/603174247.db2.gz BJWWGFGMGBJKIQ-QMMMGPOBSA-N -1 0 311.294 -0.759 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC000739046135 603186111 /nfs/dbraw/zinc/18/61/11/603186111.db2.gz MVJOMXPMLJYELX-ZJUUUORDSA-N -1 0 303.384 -0.436 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC000739046131 603186195 /nfs/dbraw/zinc/18/61/95/603186195.db2.gz MVJOMXPMLJYELX-UWVGGRQHSA-N -1 0 303.384 -0.436 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000740343130 603187136 /nfs/dbraw/zinc/18/71/36/603187136.db2.gz ULUNBBJITYDUTK-DTWKUNHWSA-N -1 0 305.356 -0.592 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCc1nncn1C ZINC000739199276 603192716 /nfs/dbraw/zinc/19/27/16/603192716.db2.gz GAZMEMSSAQQTIU-SCZZXKLOSA-N -1 0 311.342 -0.023 20 0 DBADRM C[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CCN1C(=O)[O-] ZINC000826088335 603194557 /nfs/dbraw/zinc/19/45/57/603194557.db2.gz XCZUWERIYIIBEP-SSDOTTSWSA-N -1 0 322.325 -0.439 20 0 DBADRM C[C@@H]1CN(c2ncccc2S(N)(=O)=O)CCN1C(=O)[O-] ZINC000826088270 603194708 /nfs/dbraw/zinc/19/47/08/603194708.db2.gz WKFKKAIINFFHBZ-MRVPVSSYSA-N -1 0 300.340 -0.083 20 0 DBADRM Cn1nnnc1SCCC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739062485 603202554 /nfs/dbraw/zinc/20/25/54/603202554.db2.gz QPCSKPPKQCPPKJ-MRVPVSSYSA-N -1 0 314.371 -0.049 20 0 DBADRM O=C([O-])NCC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000832397156 603205213 /nfs/dbraw/zinc/20/52/13/603205213.db2.gz ODWIJMXWJHSLBS-SSDOTTSWSA-N -1 0 302.312 -0.551 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NCCN2C(=O)CNC2=O)C1 ZINC000740570875 603206302 /nfs/dbraw/zinc/20/63/02/603206302.db2.gz SGXHKBJTPAHTTG-RKDXNWHRSA-N -1 0 312.326 -0.519 20 0 DBADRM C[C@H]1C[C@H](NC(=O)CN(C)C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825794124 603206498 /nfs/dbraw/zinc/20/64/98/603206498.db2.gz GNKDEWIZZYKGQV-WPRPVWTQSA-N -1 0 309.326 -0.360 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCc2ccc(S(N)(=O)=O)cc21 ZINC000738982104 603206863 /nfs/dbraw/zinc/20/68/63/603206863.db2.gz BZEUWPZZHZSRCT-SSDOTTSWSA-N -1 0 313.335 -0.121 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)o1 ZINC000739189933 603207467 /nfs/dbraw/zinc/20/74/67/603207467.db2.gz KSPAMCHLDOPBPW-SSDOTTSWSA-N -1 0 317.323 -0.201 20 0 DBADRM O=C([O-])N1CC[C@H](C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000740439371 603220499 /nfs/dbraw/zinc/22/04/99/603220499.db2.gz LEZOBRRULVEFDZ-NSHDSACASA-N -1 0 306.322 -0.073 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000738983288 603232355 /nfs/dbraw/zinc/23/23/55/603232355.db2.gz FDYJWCILVCMMAN-SECBINFHSA-N -1 0 319.325 -0.571 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000738983289 603232767 /nfs/dbraw/zinc/23/27/67/603232767.db2.gz FDYJWCILVCMMAN-VIFPVBQESA-N -1 0 319.325 -0.571 20 0 DBADRM COCCNC(=O)CNC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739831823 603233938 /nfs/dbraw/zinc/23/39/38/603233938.db2.gz PNCWRXAIVZAUOB-UWVGGRQHSA-N -1 0 301.343 -0.308 20 0 DBADRM CN(C[C@@H]1CCCN1C(=S)NCCS(C)(=O)=O)C(=O)[O-] ZINC000828218545 603240152 /nfs/dbraw/zinc/24/01/52/603240152.db2.gz OMYSJIPAULSBII-VIFPVBQESA-N -1 0 323.440 -0.020 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000740341981 603265806 /nfs/dbraw/zinc/26/58/06/603265806.db2.gz NMXPRWXAFSOFQR-LPEHRKFASA-N -1 0 319.383 -0.298 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000740561244 603271349 /nfs/dbraw/zinc/27/13/49/603271349.db2.gz CEQPWYSOIOTUNG-RFXMVYNHSA-N -1 0 324.337 -0.377 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739993155 603272714 /nfs/dbraw/zinc/27/27/14/603272714.db2.gz VZLMXMNNNXAIID-SNVBAGLBSA-N -1 0 319.383 -0.520 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NC[C@H]2CCC[C@H](O)C2)C(=O)C1 ZINC000740369902 603273259 /nfs/dbraw/zinc/27/32/59/603273259.db2.gz PMAPCXZLLYXAFQ-QWRGUYRKSA-N -1 0 313.354 -0.524 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000739992945 603277734 /nfs/dbraw/zinc/27/77/34/603277734.db2.gz UUASBCNFTDYAMI-ZJUUUORDSA-N -1 0 319.383 -0.474 20 0 DBADRM CC(C)(C(=O)O[C@@H]1CCOC1=O)N1CCN(C(=O)[O-])CC1 ZINC000738662316 603278701 /nfs/dbraw/zinc/27/87/01/603278701.db2.gz PRCUDSUFHOGYNQ-SECBINFHSA-N -1 0 300.311 -0.081 20 0 DBADRM C[C@@H](C(=O)NC(C(N)=O)C(N)=O)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823677424 603282078 /nfs/dbraw/zinc/28/20/78/603282078.db2.gz KTSZMODJKNKHCY-VXNVDRBHSA-N -1 0 322.321 -0.913 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739071439 603284724 /nfs/dbraw/zinc/28/47/24/603284724.db2.gz ALMZMUDMWGRTDS-KXUCPTDWSA-N -1 0 319.383 -0.044 20 0 DBADRM O=C(C[C@@H]1CCCN1C(=O)[O-])NCCC(=O)N1CCOCC1 ZINC000831327843 603294795 /nfs/dbraw/zinc/29/47/95/603294795.db2.gz PMVFKQGYZGHNHO-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000739388039 603295076 /nfs/dbraw/zinc/29/50/76/603295076.db2.gz PYMYQNYNTTXEAG-BDAKNGLRSA-N -1 0 305.356 -0.385 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000736424582 603298430 /nfs/dbraw/zinc/29/84/30/603298430.db2.gz XRJXIWBJSBRMDE-AMIZOPFISA-N -1 0 312.326 -0.521 20 0 DBADRM CC(C)N(CCC(=O)N1CC[C@]2(C1)NC(=O)NC2=O)C(=O)[O-] ZINC000738839181 603298676 /nfs/dbraw/zinc/29/86/76/603298676.db2.gz YATTYNFNZNZKSO-CYBMUJFWSA-N -1 0 312.326 -0.425 20 0 DBADRM O=C([O-])N1CCC[C@H](C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC000738720808 603298710 /nfs/dbraw/zinc/29/87/10/603298710.db2.gz QSDNRUBRURHHOR-SDBXPKJASA-N -1 0 310.310 -0.813 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000827472298 603304810 /nfs/dbraw/zinc/30/48/10/603304810.db2.gz SHXIAHSEQOZHGF-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000827472300 603304755 /nfs/dbraw/zinc/30/47/55/603304755.db2.gz SHXIAHSEQOZHGF-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000737449363 603304911 /nfs/dbraw/zinc/30/49/11/603304911.db2.gz SWKOCXUTNMHZGH-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000740619974 603308103 /nfs/dbraw/zinc/30/81/03/603308103.db2.gz KMWYQQNDCWMCBE-LPEHRKFASA-N -1 0 304.368 -0.026 20 0 DBADRM C[C@H](CC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)NC(=O)[O-] ZINC000824584073 603308436 /nfs/dbraw/zinc/30/84/36/603308436.db2.gz WRTNKCFYSHQWOY-ZJUUUORDSA-N -1 0 321.399 -0.037 20 0 DBADRM CNC(=O)c1ccc(NCCCN2CCN(C(=O)[O-])CC2)nn1 ZINC000739745797 603316821 /nfs/dbraw/zinc/31/68/21/603316821.db2.gz HSJICHMDIWNAJT-UHFFFAOYSA-N -1 0 322.369 -0.066 20 0 DBADRM NC(=O)C1(CNC(=O)CN(CC2CC2)C(=O)[O-])CCOCC1 ZINC000831167421 603319758 /nfs/dbraw/zinc/31/97/58/603319758.db2.gz KUIJDOSJMOXROX-UHFFFAOYSA-N -1 0 313.354 -0.225 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1NC(=O)[O-] ZINC000739169639 603327388 /nfs/dbraw/zinc/32/73/88/603327388.db2.gz SQZLGXPKSUGWBG-PSASIEDQSA-N -1 0 324.337 -0.798 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)O[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739986643 603327580 /nfs/dbraw/zinc/32/75/80/603327580.db2.gz SYBUSURYGGVMKL-JTQLQIEISA-N -1 0 320.367 -0.047 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)CC[C@H]1NC(=O)[O-] ZINC000739127742 603333217 /nfs/dbraw/zinc/33/32/17/603333217.db2.gz OJOWPAXSAWDVCB-KXUCPTDWSA-N -1 0 304.368 -0.074 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCC(NC(=O)[O-])CC2)S1 ZINC000831241179 603345542 /nfs/dbraw/zinc/34/55/42/603345542.db2.gz UBDIAZPNNFJFKC-ZETCQYMHSA-N -1 0 300.340 -0.199 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[C@@H]1NC(=O)[O-] ZINC000739129517 603346784 /nfs/dbraw/zinc/34/67/84/603346784.db2.gz BXXBOSYWBWEFGD-ZJUUUORDSA-N -1 0 324.337 -0.948 20 0 DBADRM C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739125708 603347777 /nfs/dbraw/zinc/34/77/77/603347777.db2.gz NMGKSHNIYIABSP-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@@H]1NC(=O)[O-] ZINC000739167678 603355845 /nfs/dbraw/zinc/35/58/45/603355845.db2.gz NXVITDPJJGHIQC-CBAPKCEASA-N -1 0 310.310 -0.396 20 0 DBADRM CC[C@H](C)[C@H](O)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739240964 603358234 /nfs/dbraw/zinc/35/82/34/603358234.db2.gz XUJBQPZIKPYFKR-NWDGAFQWSA-N -1 0 316.402 -0.012 20 0 DBADRM CC(C)(C)[C@H](O)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000738675554 603358303 /nfs/dbraw/zinc/35/83/03/603358303.db2.gz MKJFOVAVQMJKBN-LLVKDONJSA-N -1 0 316.402 -0.012 20 0 DBADRM C[C@H]1CN(C(=S)NCCN2CCOCC2)CCN1C(=O)[O-] ZINC000739172826 603374094 /nfs/dbraw/zinc/37/40/94/603374094.db2.gz JFLOQRPFDTYKRZ-NSHDSACASA-N -1 0 316.427 -0.123 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCCN(C(=O)[O-])CC2)S1 ZINC000831238878 603376889 /nfs/dbraw/zinc/37/68/89/603376889.db2.gz AGKRUWJSVJXYDE-SSDOTTSWSA-N -1 0 300.340 -0.245 20 0 DBADRM CCN(CC(=O)N1CCC(NC(=O)COC)CC1)C(=O)[O-] ZINC000739385654 603380699 /nfs/dbraw/zinc/38/06/99/603380699.db2.gz CQCQTIOMXSSAKE-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM CCN(CC(=O)Nc1cccc(C(=O)NCC(N)=O)c1)C(=O)[O-] ZINC000739398552 603381120 /nfs/dbraw/zinc/38/11/20/603381120.db2.gz YPNANDQOMAIFIB-UHFFFAOYSA-N -1 0 322.321 -0.160 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])N[C@H]1CCCCNC1=O ZINC000740364213 603393978 /nfs/dbraw/zinc/39/39/78/603393978.db2.gz LGZDJXOMVZRDIK-QWRGUYRKSA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCNC(=O)C1 ZINC000832758039 603397627 /nfs/dbraw/zinc/39/76/27/603397627.db2.gz UYWIMPBSMYSGAR-STQMWFEESA-N -1 0 307.350 -0.342 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CCC[C@@H](NC(=O)[O-])C2)cn1 ZINC000738370116 603398123 /nfs/dbraw/zinc/39/81/23/603398123.db2.gz KSUJKZHLDUEOBC-SECBINFHSA-N -1 0 307.310 -0.018 20 0 DBADRM CC(C)[C@@H](CNC(=O)Cn1ncn2nccc2c1=O)NC(=O)[O-] ZINC000738779385 603401163 /nfs/dbraw/zinc/40/11/63/603401163.db2.gz WOLRWKJZCBHQEG-SECBINFHSA-N -1 0 322.325 -0.701 20 0 DBADRM NC(=O)CCN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000831185279 603405667 /nfs/dbraw/zinc/40/56/67/603405667.db2.gz SCCJEYLQIDUYKC-AMIZOPFISA-N -1 0 312.326 -0.390 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)n(C)n1 ZINC000740079917 603407762 /nfs/dbraw/zinc/40/77/62/603407762.db2.gz OXMUJPQLBSTUEQ-VIFPVBQESA-N -1 0 309.326 -0.217 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)C(=O)Nc2ccn(C)n2)C1 ZINC000739575666 603407923 /nfs/dbraw/zinc/40/79/23/603407923.db2.gz LTZTWXUUKUCZDO-VIFPVBQESA-N -1 0 309.326 -0.041 20 0 DBADRM COCCN1C[C@H](C(=O)NC[C@@H](NC(=O)[O-])C(C)C)CC1=O ZINC000739831070 603410116 /nfs/dbraw/zinc/41/01/16/603410116.db2.gz YDRMOLIPSHDEME-GHMZBOCLSA-N -1 0 315.370 -0.110 20 0 DBADRM CC[C@@H]1C(=O)NCCN1C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739269586 603414463 /nfs/dbraw/zinc/41/44/63/603414463.db2.gz XUYWPZRSDNBVJR-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CC(C)[C@@H](CNC(=O)CN1CCS(=O)(=O)CC1)NC(=O)[O-] ZINC000738777654 603417326 /nfs/dbraw/zinc/41/73/26/603417326.db2.gz MCFZAGOKPNVEQN-SNVBAGLBSA-N -1 0 321.399 -0.875 20 0 DBADRM CCn1cc(NC(=O)C(=O)N(C)[C@@H](C)CNC(=O)[O-])ccc1=O ZINC000739566077 603418369 /nfs/dbraw/zinc/41/83/69/603418369.db2.gz GIOMSSRGZSFVDK-VIFPVBQESA-N -1 0 324.337 -0.079 20 0 DBADRM NC(=O)Cn1cc(-c2nc(C3(NC(=O)[O-])CCC3)no2)nn1 ZINC000831199887 603419141 /nfs/dbraw/zinc/41/91/41/603419141.db2.gz LXPNBGZOPSAMIH-UHFFFAOYSA-N -1 0 307.270 -0.540 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)CC1 ZINC000831189742 603419625 /nfs/dbraw/zinc/41/96/25/603419625.db2.gz FBUSULFUNVAOBP-UHFFFAOYSA-N -1 0 310.310 -0.710 20 0 DBADRM CCN(CC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)C(=O)[O-] ZINC000739390345 603423337 /nfs/dbraw/zinc/42/33/37/603423337.db2.gz NYTZYUOFHXQTJJ-JTQLQIEISA-N -1 0 321.399 -0.226 20 0 DBADRM CCN(CC(=O)NCCN1CCN(C(C)=O)CC1)C(=O)[O-] ZINC000739392330 603423419 /nfs/dbraw/zinc/42/34/19/603423419.db2.gz IHNCBKOBGGDTQF-UHFFFAOYSA-N -1 0 300.359 -0.733 20 0 DBADRM Cn1cc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740290502 603426182 /nfs/dbraw/zinc/42/61/82/603426182.db2.gz OJPTVUBHNMBJSC-RKDXNWHRSA-N -1 0 324.337 -0.151 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCCOCCO)cc1 ZINC000738665869 603427590 /nfs/dbraw/zinc/42/75/90/603427590.db2.gz UKOWYBSYYVEIMM-UHFFFAOYSA-N -1 0 311.294 -0.160 20 0 DBADRM CCN(CC(=O)NCCS(=O)(=O)NCC1CCC1)C(=O)[O-] ZINC000739392989 603432908 /nfs/dbraw/zinc/43/29/08/603432908.db2.gz MVYRLDVFIGEWDP-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000829683599 603434430 /nfs/dbraw/zinc/43/44/30/603434430.db2.gz VZHXUKAFODECQK-NXEZZACHSA-N -1 0 319.383 -0.474 20 0 DBADRM COC(=O)[C@@]1(NC(=O)[C@@H]2CCCN(C(=O)[O-])C2)CCOC1 ZINC000828623751 603441693 /nfs/dbraw/zinc/44/16/93/603441693.db2.gz GDVOFARJBLQFLB-NOZJJQNGSA-N -1 0 300.311 -0.175 20 0 DBADRM COC(=O)[C@]1(NC(=O)[C@@H]2CCCN(C(=O)[O-])C2)CCOC1 ZINC000828623752 603441733 /nfs/dbraw/zinc/44/17/33/603441733.db2.gz GDVOFARJBLQFLB-RNCFNFMXSA-N -1 0 300.311 -0.175 20 0 DBADRM C[C@H](OC(=O)COC1CN(C(=O)[O-])C1)C(=O)Nc1ncccn1 ZINC000825591934 603444456 /nfs/dbraw/zinc/44/44/56/603444456.db2.gz CRASNYKXKQKSOX-QMMMGPOBSA-N -1 0 324.293 -0.274 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN(CCn2cncn2)CC1 ZINC000737609838 603448523 /nfs/dbraw/zinc/44/85/23/603448523.db2.gz VUZAPCYGWRDTGM-GFCCVEGCSA-N -1 0 324.385 -0.286 20 0 DBADRM Cc1oc(C(=O)NCCCNC(=O)[O-])cc1S(N)(=O)=O ZINC000830942436 603451196 /nfs/dbraw/zinc/45/11/96/603451196.db2.gz LXVUYUFBWDORFY-UHFFFAOYSA-N -1 0 305.312 -0.377 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)COC2CN(C(=O)[O-])C2)C[C@H]1C ZINC000828638686 603454096 /nfs/dbraw/zinc/45/40/96/603454096.db2.gz BWFXHUPFRHHYPU-SCZZXKLOSA-N -1 0 300.311 -0.367 20 0 DBADRM CN(C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827738230 603456171 /nfs/dbraw/zinc/45/61/71/603456171.db2.gz HSNRXQDTXITOND-VHSXEESVSA-N -1 0 321.337 -0.027 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CCCNC(=O)[O-] ZINC000826075648 603462915 /nfs/dbraw/zinc/46/29/15/603462915.db2.gz ZWDTYROTHLFMIR-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)CN1CCC(=O)NC1=O ZINC000828129556 603464169 /nfs/dbraw/zinc/46/41/69/603464169.db2.gz SACHDGDJCQNKJR-UHFFFAOYSA-N -1 0 314.342 -0.320 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(C)(C)NC(=O)[O-])cc1C(N)=O ZINC000831014424 603471228 /nfs/dbraw/zinc/47/12/28/603471228.db2.gz UNTGUHTXJOLCCR-UHFFFAOYSA-N -1 0 318.355 -0.552 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000831041137 603472849 /nfs/dbraw/zinc/47/28/49/603472849.db2.gz LHJRXZDKQXKXMQ-UHFFFAOYSA-N -1 0 323.353 -0.553 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)OCCN1C(=O)c2ccncc2C1=O ZINC000825196020 603472867 /nfs/dbraw/zinc/47/28/67/603472867.db2.gz XMUCEADPJNRSEX-SSDOTTSWSA-N -1 0 307.262 -0.123 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000825509110 603478544 /nfs/dbraw/zinc/47/85/44/603478544.db2.gz NIRPTCVFXYLQHR-XNWIYYODSA-N -1 0 321.399 -0.039 20 0 DBADRM COC(=O)c1cn(CC(=O)NC[C@@H]2CCCN2C(=O)[O-])nn1 ZINC000828804829 603487529 /nfs/dbraw/zinc/48/75/29/603487529.db2.gz RTSYPOVKXUQIDB-QMMMGPOBSA-N -1 0 311.298 -0.677 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000828902483 603490464 /nfs/dbraw/zinc/49/04/64/603490464.db2.gz FONBUIKKRNQZAX-UWVGGRQHSA-N -1 0 316.358 -0.469 20 0 DBADRM COC(=O)c1cc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cn1C ZINC000828749630 603491006 /nfs/dbraw/zinc/49/10/06/603491006.db2.gz FUELRLWWPANGDC-DTWKUNHWSA-N -1 0 311.294 -0.137 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCN(C(=O)[O-])[C@H](C)C2)nn1 ZINC000828804488 603496825 /nfs/dbraw/zinc/49/68/25/603496825.db2.gz MWVUREOGONVPFD-MRVPVSSYSA-N -1 0 311.298 -0.725 20 0 DBADRM CCN(CC(C)(C)O)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000827020601 603504239 /nfs/dbraw/zinc/50/42/39/603504239.db2.gz XOKXDOZXQUXYEQ-UHFFFAOYSA-N -1 0 301.343 -0.572 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N(C)CC(C)(C)CNC(=O)[O-])C(N)=O ZINC000823585510 603510215 /nfs/dbraw/zinc/51/02/15/603510215.db2.gz KSIKMUPDFOXFQW-VIFPVBQESA-N -1 0 316.358 -0.881 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000827841134 603510693 /nfs/dbraw/zinc/51/06/93/603510693.db2.gz NBXPRZQTRBNZOM-VIFPVBQESA-N -1 0 305.356 -0.767 20 0 DBADRM CN1CCN(C(=O)C2=NN(C)C(=O)CC2)[C@@H](CNC(=O)[O-])C1 ZINC000828485974 603511609 /nfs/dbraw/zinc/51/16/09/603511609.db2.gz ASNFIBFLWFSQFX-VIFPVBQESA-N -1 0 311.342 -0.995 20 0 DBADRM CCCNC(=O)CCC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000826922372 603512020 /nfs/dbraw/zinc/51/20/20/603512020.db2.gz XPTIXLBATWKTHA-NSHDSACASA-N -1 0 314.386 -0.297 20 0 DBADRM CN1CCN(C(=O)CCCCNC(N)=O)[C@H](CNC(=O)[O-])C1 ZINC000828494149 603513625 /nfs/dbraw/zinc/51/36/25/603513625.db2.gz HOHKZGUGXICPSQ-SNVBAGLBSA-N -1 0 315.374 -0.765 20 0 DBADRM COC(=O)NCCCC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000828713123 603521757 /nfs/dbraw/zinc/52/17/57/603521757.db2.gz DMARFBFXQVZJQT-SNVBAGLBSA-N -1 0 316.358 -0.467 20 0 DBADRM COC(=O)NCCC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000828713160 603521767 /nfs/dbraw/zinc/52/17/67/603521767.db2.gz FASAENCMNNSZQF-SECBINFHSA-N -1 0 302.331 -0.857 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000736421219 603526408 /nfs/dbraw/zinc/52/64/08/603526408.db2.gz LIRKQQRFTHPNNB-NXEZZACHSA-N -1 0 321.399 -0.052 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000827836244 603528715 /nfs/dbraw/zinc/52/87/15/603528715.db2.gz WZCHOBWGSGMEFS-UWVGGRQHSA-N -1 0 321.337 -0.027 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NCCN(C)C(=O)[O-])c(C)o1 ZINC000828580248 603534692 /nfs/dbraw/zinc/53/46/92/603534692.db2.gz XGDYVXQJIPRJTJ-UHFFFAOYSA-N -1 0 319.339 -0.164 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)C2)C1=O ZINC000828445775 603542730 /nfs/dbraw/zinc/54/27/30/603542730.db2.gz OMSLWICHQFBZNI-ITMYJUKJSA-N -1 0 324.337 -0.425 20 0 DBADRM COCCCS(=O)(=O)NCCN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828964249 603545972 /nfs/dbraw/zinc/54/59/72/603545972.db2.gz QKGDKUYYXVPHTO-LLVKDONJSA-N -1 0 323.415 -0.374 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000824967540 603546549 /nfs/dbraw/zinc/54/65/49/603546549.db2.gz SKLIXDPVBBDHKH-SSDOTTSWSA-N -1 0 318.355 -0.599 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)NC(=O)[O-] ZINC000823917129 603546981 /nfs/dbraw/zinc/54/69/81/603546981.db2.gz CBWJFMGCMGBNLQ-MRVPVSSYSA-N -1 0 322.387 -0.634 20 0 DBADRM Cn1cc([C@H]2CN(C(=O)COC3CN(C(=O)[O-])C3)CCO2)cn1 ZINC000830998949 603548876 /nfs/dbraw/zinc/54/88/76/603548876.db2.gz DPWFJORDBWRRTR-GFCCVEGCSA-N -1 0 324.337 -0.301 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])CCO2)cn1 ZINC000831000367 603559695 /nfs/dbraw/zinc/55/96/95/603559695.db2.gz XHEDHEYNSWICQE-SRVKXCTJSA-N -1 0 324.337 -0.567 20 0 DBADRM Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000830800245 603559818 /nfs/dbraw/zinc/55/98/18/603559818.db2.gz WGDJZCXJDZSEIS-UTLUCORTSA-N -1 0 309.326 -0.349 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000826744620 603560680 /nfs/dbraw/zinc/56/06/80/603560680.db2.gz QNACYZBULRLSTK-VXGBXAGGSA-N -1 0 317.386 -0.426 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000824823184 603560920 /nfs/dbraw/zinc/56/09/20/603560920.db2.gz DXBOIIJIFRTDFJ-NEPJUHHUSA-N -1 0 317.386 -0.616 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000828162610 603561982 /nfs/dbraw/zinc/56/19/82/603561982.db2.gz PBZMLZFVPFZJHR-RYUDHWBXSA-N -1 0 315.370 -0.720 20 0 DBADRM O=C([O-])N1CC(CC(=O)NCCNC(=O)c2cccnc2)C1 ZINC000831361191 603563991 /nfs/dbraw/zinc/56/39/91/603563991.db2.gz XMPWMOUGSYCYDW-UHFFFAOYSA-N -1 0 306.322 -0.073 20 0 DBADRM C[C@@H]1CN(Cc2nc(CS(C)(=O)=O)no2)CCN1C(=O)[O-] ZINC000826067326 603568635 /nfs/dbraw/zinc/56/86/35/603568635.db2.gz KFWAMVQYULRVKX-MRVPVSSYSA-N -1 0 318.355 -0.202 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000823833225 603575498 /nfs/dbraw/zinc/57/54/98/603575498.db2.gz MJSOEZNODIROCI-IUCAKERBSA-N -1 0 322.383 -0.571 20 0 DBADRM CCN(CC(=O)N1CCC[C@H]1CS(=O)(=O)NC)C(=O)[O-] ZINC000826997165 603585176 /nfs/dbraw/zinc/58/51/76/603585176.db2.gz WESJMGQEUQJQQF-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827264572 603586400 /nfs/dbraw/zinc/58/64/00/603586400.db2.gz BQXPMMUMQGGKSE-BDAKNGLRSA-N -1 0 307.372 -0.522 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H](CNC(=O)[O-])C1CCCCC1 ZINC000828572258 603593208 /nfs/dbraw/zinc/59/32/08/603593208.db2.gz BCOUIHPZSCBPPI-SNVBAGLBSA-N -1 0 321.399 -0.132 20 0 DBADRM CNS(=O)(=O)CC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828580116 603593380 /nfs/dbraw/zinc/59/33/80/603593380.db2.gz VGMIQJKOGAHNCU-SFYZADRCSA-N -1 0 323.371 -0.845 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)c1=O ZINC000830964506 603594783 /nfs/dbraw/zinc/59/47/83/603594783.db2.gz TUWDWBUBEKNLAA-MRVPVSSYSA-N -1 0 310.310 -0.394 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000830993046 603595158 /nfs/dbraw/zinc/59/51/58/603595158.db2.gz FIPRLGWBQZIGCU-JTQLQIEISA-N -1 0 309.278 -0.398 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)[O-] ZINC000828573578 603595751 /nfs/dbraw/zinc/59/57/51/603595751.db2.gz UCLFXQUSHKUOBQ-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000824330118 603598612 /nfs/dbraw/zinc/59/86/12/603598612.db2.gz RZFSVTYXYSJOIE-JTQLQIEISA-N -1 0 308.404 -0.545 20 0 DBADRM CCN(CC(=O)OC)CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O ZINC000827014796 603602223 /nfs/dbraw/zinc/60/22/23/603602223.db2.gz UJFVBIXAKWMAMT-JTQLQIEISA-N -1 0 314.342 -0.461 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)OC[C@H]1CCCN1C(=O)[O-] ZINC000824034608 603613928 /nfs/dbraw/zinc/61/39/28/603613928.db2.gz FWFJLSDUDBMUJH-MRVPVSSYSA-N -1 0 308.356 0.000 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000831432669 603620804 /nfs/dbraw/zinc/62/08/04/603620804.db2.gz MEJDLMFUMWDWFZ-VIFPVBQESA-N -1 0 312.278 -0.610 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000737609808 603621402 /nfs/dbraw/zinc/62/14/02/603621402.db2.gz SWKZPSNVRWGYEG-IUCAKERBSA-N -1 0 307.372 -0.442 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)NCCC(=O)N1CCOCC1 ZINC000823956567 603624939 /nfs/dbraw/zinc/62/49/39/603624939.db2.gz QDEJBWHZXJEEOT-UHFFFAOYSA-N -1 0 301.343 -0.355 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000829688459 603625801 /nfs/dbraw/zinc/62/58/01/603625801.db2.gz RSUNBTAGLGBGQB-UHFFFAOYSA-N -1 0 321.399 -0.130 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)C1 ZINC000829688979 603628361 /nfs/dbraw/zinc/62/83/61/603628361.db2.gz YRSAIEHTSYZTDV-LPEHRKFASA-N -1 0 319.383 -0.427 20 0 DBADRM O=C([O-])NC(CNC(=O)c1ccon1)CNC(=O)c1ccon1 ZINC000832139867 603639088 /nfs/dbraw/zinc/63/90/88/603639088.db2.gz CVCSUSMLRBRTTP-UHFFFAOYSA-N -1 0 323.265 -0.541 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000824136135 603639276 /nfs/dbraw/zinc/63/92/76/603639276.db2.gz IVNFSGRGTJHKRV-GFCCVEGCSA-N -1 0 308.338 -0.043 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)NC1CN(C(=O)[O-])C1 ZINC000823833053 603639359 /nfs/dbraw/zinc/63/93/59/603639359.db2.gz GFCQVOJDYJLPON-UHFFFAOYSA-N -1 0 307.372 -0.139 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)[C@H]1COCCN1C(=O)[O-])CC2 ZINC000831049875 603639735 /nfs/dbraw/zinc/63/97/35/603639735.db2.gz CAKWGSLEWLXFBU-LLVKDONJSA-N -1 0 322.321 -0.956 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000827524396 603640296 /nfs/dbraw/zinc/64/02/96/603640296.db2.gz KEDSVSGMLMGKRN-BFHDXFOESA-N -1 0 312.326 -0.473 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)[C@@H]1CCN(C(=O)[O-])C1)CC2 ZINC000831051175 603640453 /nfs/dbraw/zinc/64/04/53/603640453.db2.gz XYARPTZIVHVOOS-SECBINFHSA-N -1 0 306.322 -0.335 20 0 DBADRM C[C@H](CC(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O)NC(=O)[O-] ZINC000824637934 603640610 /nfs/dbraw/zinc/64/06/10/603640610.db2.gz WNBSNBXXTQNKTB-OTPXZMOZSA-N -1 0 312.326 -0.473 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000824020882 603640784 /nfs/dbraw/zinc/64/07/84/603640784.db2.gz YOQUEPQDQQTZAS-WPPNPWJKSA-N -1 0 312.326 -0.473 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000831778452 603640729 /nfs/dbraw/zinc/64/07/29/603640729.db2.gz QQFPUEUHPZJUFQ-ZJUUUORDSA-N -1 0 318.293 -0.082 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000823950399 603641440 /nfs/dbraw/zinc/64/14/40/603641440.db2.gz BKXBDTCVHCXAJD-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM Cc1ncc2c(n1)CC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])C2 ZINC000830812818 603648991 /nfs/dbraw/zinc/64/89/91/603648991.db2.gz KGDYNADGSJVMMY-LOWVWBTDSA-N -1 0 320.349 -0.128 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCN(c2cnccn2)CC1 ZINC000831273489 603653647 /nfs/dbraw/zinc/65/36/47/603653647.db2.gz RDYXYZMGHYLRMY-QWRGUYRKSA-N -1 0 321.337 -0.762 20 0 DBADRM Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000830853567 603655069 /nfs/dbraw/zinc/65/50/69/603655069.db2.gz YNRRYZIZMYDLAU-JQWIXIFHSA-N -1 0 310.354 -0.191 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCCN(CC(N)=O)CC1 ZINC000823953020 603657407 /nfs/dbraw/zinc/65/74/07/603657407.db2.gz VAZWJPLEMVVDMP-UHFFFAOYSA-N -1 0 300.359 -0.700 20 0 DBADRM CC(C)(CNC(=O)c1ccc(S(N)(=O)=O)o1)NC(=O)[O-] ZINC000824002104 603668410 /nfs/dbraw/zinc/66/84/10/603668410.db2.gz WSSZFUMJVDIULB-UHFFFAOYSA-N -1 0 305.312 -0.297 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000831757023 603670402 /nfs/dbraw/zinc/67/04/02/603670402.db2.gz IQJAEJAWCGXAJL-UWVGGRQHSA-N -1 0 318.293 -0.286 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)C2(CNC(=O)[O-])CCCC2)C1 ZINC000831245169 603671042 /nfs/dbraw/zinc/67/10/42/603671042.db2.gz GQBDELCRUBLQQW-VIFPVBQESA-N -1 0 319.383 -0.296 20 0 DBADRM COC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000828684341 603674780 /nfs/dbraw/zinc/67/47/80/603674780.db2.gz SWSDKQXCKULWKU-SDBXPKJASA-N -1 0 313.310 -0.092 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCSC[C@H]1S(C)(=O)=O ZINC000827518022 603682830 /nfs/dbraw/zinc/68/28/30/603682830.db2.gz GOFXVKHWHRWSDW-JGVFFNPUSA-N -1 0 310.397 -0.021 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000823956592 603684733 /nfs/dbraw/zinc/68/47/33/603684733.db2.gz QSJLTZHXIQKWGN-UHFFFAOYSA-N -1 0 322.383 -0.664 20 0 DBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000829669889 603685727 /nfs/dbraw/zinc/68/57/27/603685727.db2.gz RLVKBOYDAXGMCS-RKDXNWHRSA-N -1 0 322.408 -0.068 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)C2(CNC(=O)[O-])CCCC2)n1 ZINC000828552759 603689694 /nfs/dbraw/zinc/68/96/94/603689694.db2.gz ZADGSKAMZWKQRJ-UHFFFAOYSA-N -1 0 324.341 -0.209 20 0 DBADRM C[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)[C@@H]1CNC(=O)[O-] ZINC000825904304 603690257 /nfs/dbraw/zinc/69/02/57/603690257.db2.gz DULRGFVSIXHTLB-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM CN(C(=O)C(C)(C)NS(C)(=O)=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827730877 603692174 /nfs/dbraw/zinc/69/21/74/603692174.db2.gz ULQUQOJDZQVKRK-QMMMGPOBSA-N -1 0 307.372 -0.475 20 0 DBADRM C[C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1CNC(=O)[O-] ZINC000825914026 603692446 /nfs/dbraw/zinc/69/24/46/603692446.db2.gz WOXPCDVUACPJSB-ZJUUUORDSA-N -1 0 324.337 -0.156 20 0 DBADRM NC(=O)c1nccnc1C(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000831240781 603698763 /nfs/dbraw/zinc/69/87/63/603698763.db2.gz QEVURHJRNHYNJY-QMMMGPOBSA-N -1 0 307.310 -0.162 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NC[C@H]1CCCCN1C(=O)[O-])C(N)=O ZINC000823586283 603699598 /nfs/dbraw/zinc/69/95/98/603699598.db2.gz RNDOBQJJOSAUBT-ZJUUUORDSA-N -1 0 314.342 -0.985 20 0 DBADRM CN(C(=O)CCC(=O)N1CCOCC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827754512 603700498 /nfs/dbraw/zinc/70/04/98/603700498.db2.gz XZRXVNZMPIPEPN-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCCC[C@@H]1CNC(=O)[O-] ZINC000825508124 603701804 /nfs/dbraw/zinc/70/18/04/603701804.db2.gz GRBNOXRWBPDAFY-DTWKUNHWSA-N -1 0 307.372 -0.427 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000829668983 603702190 /nfs/dbraw/zinc/70/21/90/603702190.db2.gz JFXRGDVYIWAHPX-UHFFFAOYSA-N -1 0 319.383 -0.184 20 0 DBADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)CCNC(=O)[O-])C1=O ZINC000828444591 603707799 /nfs/dbraw/zinc/70/77/99/603707799.db2.gz GMHQAJUPNRNZBL-AMIZOPFISA-N -1 0 312.326 -0.519 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NC[C@H]1CN(C)CCO1 ZINC000826109362 603708905 /nfs/dbraw/zinc/70/89/05/603708905.db2.gz KGIJAFZSZGIBJT-DCAQKATOSA-N -1 0 315.370 -0.063 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)nn1 ZINC000827967279 603711384 /nfs/dbraw/zinc/71/13/84/603711384.db2.gz UEXSGGLBVMLBLG-SECBINFHSA-N -1 0 324.341 -0.809 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)CC1CN(C(=O)[O-])C1 ZINC000827476015 603711862 /nfs/dbraw/zinc/71/18/62/603711862.db2.gz RLQTTYIGNRHMEU-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCCCO[C@H]1CCOC1 ZINC000831533889 603716211 /nfs/dbraw/zinc/71/62/11/603716211.db2.gz SFLXAXCNZMHYHQ-JTQLQIEISA-N -1 0 302.327 -0.323 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCCO[C@@H]1CCOC1 ZINC000831680395 603716277 /nfs/dbraw/zinc/71/62/77/603716277.db2.gz HGAFCKWMAYNPDO-AXFHLTTASA-N -1 0 302.327 -0.589 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCC(=O)Nc1ccncc1 ZINC000831433796 603716999 /nfs/dbraw/zinc/71/69/99/603716999.db2.gz VFGMABPSCGBZAS-MNOVXSKESA-N -1 0 322.321 -0.939 20 0 DBADRM CN(C(=O)CN1C(=O)NC(C)(C)C1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827765986 603718796 /nfs/dbraw/zinc/71/87/96/603718796.db2.gz XCXRLRQPXGOAEX-MRVPVSSYSA-N -1 0 312.326 -0.473 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)[C@H](C)NS(C)(=O)=O ZINC000825509535 603719466 /nfs/dbraw/zinc/71/94/66/603719466.db2.gz QNDDBLLVNAOCQC-UTLUCORTSA-N -1 0 321.399 -0.039 20 0 DBADRM COCCn1nc(C(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)ccc1=O ZINC000829035244 603721316 /nfs/dbraw/zinc/72/13/16/603721316.db2.gz HNVHNPZWRMFWTL-JTQLQIEISA-N -1 0 324.337 -0.286 20 0 DBADRM CCc1nnc2n1C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])CC2 ZINC000827655545 603722882 /nfs/dbraw/zinc/72/28/82/603722882.db2.gz ICXZBDZMTQCKJK-OPRDCNLKSA-N -1 0 323.353 -0.615 20 0 DBADRM COC[C@@](C)(NC(=O)COC1CN(C(=O)[O-])C1)C(=O)OC ZINC000828885535 603725174 /nfs/dbraw/zinc/72/51/74/603725174.db2.gz HJKWKDUIXFZJNV-GFCCVEGCSA-N -1 0 304.299 -0.941 20 0 DBADRM CN(CC(=O)N1CCN(c2nccn(C)c2=O)CC1)C(=O)[O-] ZINC000828095227 603728027 /nfs/dbraw/zinc/72/80/27/603728027.db2.gz CJEBANYKKLMQNK-UHFFFAOYSA-N -1 0 309.326 -0.961 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000825695629 603728960 /nfs/dbraw/zinc/72/89/60/603728960.db2.gz CRQDFZQJSLYLEI-QMMMGPOBSA-N -1 0 312.326 -0.567 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCN(c2cccnn2)CC1 ZINC000831273922 603731090 /nfs/dbraw/zinc/73/10/90/603731090.db2.gz UIQAICVEKVMNHN-GHMZBOCLSA-N -1 0 321.337 -0.762 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCC(C2OCCO2)CC1 ZINC000831273596 603731239 /nfs/dbraw/zinc/73/12/39/603731239.db2.gz ROLSBVLXQXCXAV-GHMZBOCLSA-N -1 0 314.338 -0.289 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000831757986 603732026 /nfs/dbraw/zinc/73/20/26/603732026.db2.gz RSLOXGPCDALYHP-UWVGGRQHSA-N -1 0 318.293 -0.082 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000831757984 603732105 /nfs/dbraw/zinc/73/21/05/603732105.db2.gz RSLOXGPCDALYHP-NXEZZACHSA-N -1 0 318.293 -0.082 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC000827823352 603733482 /nfs/dbraw/zinc/73/34/82/603733482.db2.gz UVFFCRCUOKRWDX-QMMMGPOBSA-N -1 0 307.310 -0.210 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC000827823351 603733682 /nfs/dbraw/zinc/73/36/82/603733682.db2.gz UVFFCRCUOKRWDX-MRVPVSSYSA-N -1 0 307.310 -0.210 20 0 DBADRM CC1(C)CN(C(=O)[C@H]2COCCN2C(=O)[O-])CCS1(=O)=O ZINC000825718716 603734994 /nfs/dbraw/zinc/73/49/94/603734994.db2.gz IULYFXIQLDRWRG-SECBINFHSA-N -1 0 320.367 -0.599 20 0 DBADRM COC(=O)[C@H](C)CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000828602947 603735504 /nfs/dbraw/zinc/73/55/04/603735504.db2.gz ZQMLUVIQDMUKCV-SNVBAGLBSA-N -1 0 315.370 -0.014 20 0 DBADRM C[C@H](CC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O)NC(=O)[O-] ZINC000824636623 603736572 /nfs/dbraw/zinc/73/65/72/603736572.db2.gz PBDUQFHKFRQWKU-BBBLOLIVSA-N -1 0 321.399 -0.133 20 0 DBADRM CN(CC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O)C(=O)[O-] ZINC000828108967 603736785 /nfs/dbraw/zinc/73/67/85/603736785.db2.gz ZWMGEFXDLIVEDP-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM CCN(CC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O)C(=O)[O-] ZINC000827002799 603736847 /nfs/dbraw/zinc/73/68/47/603736847.db2.gz SSGWSODXPSNDLR-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM CN(CC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O)C(=O)[O-] ZINC000828108964 603736946 /nfs/dbraw/zinc/73/69/46/603736946.db2.gz ZWMGEFXDLIVEDP-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)CCCNC(=O)[O-] ZINC000829689121 603737713 /nfs/dbraw/zinc/73/77/13/603737713.db2.gz ZKEMJPOBSRTCFH-UWVGGRQHSA-N -1 0 321.399 -0.132 20 0 DBADRM CCOC(=O)N1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000827329346 603741784 /nfs/dbraw/zinc/74/17/84/603741784.db2.gz WXZROAMYDIKVFX-UHFFFAOYSA-N -1 0 315.326 -0.334 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC000826111101 603742378 /nfs/dbraw/zinc/74/23/78/603742378.db2.gz ZDISPYOLLIKESF-RKDXNWHRSA-N -1 0 320.367 -0.253 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N(C)CCS(C)(=O)=O ZINC000826100337 603744196 /nfs/dbraw/zinc/74/41/96/603744196.db2.gz IHHVPTRKRIIPJA-BDAKNGLRSA-N -1 0 322.383 -0.007 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000827524589 603746142 /nfs/dbraw/zinc/74/61/42/603746142.db2.gz NSHBPMILGUCNMW-GUBZILKMSA-N -1 0 321.399 -0.133 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000827524591 603746295 /nfs/dbraw/zinc/74/62/95/603746295.db2.gz NSHBPMILGUCNMW-LPEHRKFASA-N -1 0 321.399 -0.133 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)NCCNC(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825794000 603747519 /nfs/dbraw/zinc/74/75/19/603747519.db2.gz DWYJCYXTBHCXMZ-SCZZXKLOSA-N -1 0 324.341 -0.519 20 0 DBADRM CC(=O)N(C)C1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000823537956 603748101 /nfs/dbraw/zinc/74/81/01/603748101.db2.gz LDBGXCMDEXVAEO-UHFFFAOYSA-N -1 0 313.354 -0.166 20 0 DBADRM CN(C[C@@H]1CCCN(C(=O)c2nc3n(n2)CCCN3)C1)C(=O)[O-] ZINC000828179892 603748607 /nfs/dbraw/zinc/74/86/07/603748607.db2.gz FMYLKDDQKXYCQV-JTQLQIEISA-N -1 0 322.369 -0.187 20 0 DBADRM CCOC(=O)NCCC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000827327264 603750722 /nfs/dbraw/zinc/75/07/22/603750722.db2.gz JGTHLLGMOFBXRL-SECBINFHSA-N -1 0 302.283 -0.013 20 0 DBADRM CN(C[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C1)C(=O)[O-] ZINC000828260545 603751805 /nfs/dbraw/zinc/75/18/05/603751805.db2.gz UPKODUPCGSTABN-MRVPVSSYSA-N -1 0 307.310 -0.353 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000831852114 603753454 /nfs/dbraw/zinc/75/34/54/603753454.db2.gz IWUDUPFLAQDQSS-SNVBAGLBSA-N -1 0 312.244 -0.109 20 0 DBADRM CCCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000826853205 603755247 /nfs/dbraw/zinc/75/52/47/603755247.db2.gz JHNMDTIFEXFZLG-UWVGGRQHSA-N -1 0 321.399 -0.085 20 0 DBADRM Nc1nc(N)nc(COC(=O)C2(CNC(=O)[O-])CCCC2)n1 ZINC000831265794 603758529 /nfs/dbraw/zinc/75/85/29/603758529.db2.gz TVRCSCKEJICDLW-UHFFFAOYSA-N -1 0 310.314 -0.093 20 0 DBADRM C[C@H](OC(=O)C1(CNC(=O)[O-])CCCC1)C(=O)NC(N)=O ZINC000825543750 603760063 /nfs/dbraw/zinc/76/00/63/603760063.db2.gz GUHQKQAAMDTAGS-ZETCQYMHSA-N -1 0 301.299 -0.059 20 0 DBADRM C[C@@H](CC(=O)N(C)CCN1CCCS1(=O)=O)NC(=O)[O-] ZINC000824550393 603761713 /nfs/dbraw/zinc/76/17/13/603761713.db2.gz FTZKCSYBNGKVSU-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CCN(CCNC(=O)N1CCC(NC(N)=O)CC1)C(=O)[O-] ZINC000827140535 603762527 /nfs/dbraw/zinc/76/25/27/603762527.db2.gz BWKGEAFEHXCQJN-UHFFFAOYSA-N -1 0 301.347 -0.171 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCCN1CCCCC1=O ZINC000831675774 603762766 /nfs/dbraw/zinc/76/27/66/603762766.db2.gz IPXVKHGKVLRLBS-GHMZBOCLSA-N -1 0 313.354 -0.382 20 0 DBADRM NC(=O)NC1CCN(C(=O)NCCN(C(=O)[O-])C2CC2)CC1 ZINC000831208820 603763436 /nfs/dbraw/zinc/76/34/36/603763436.db2.gz VYARXRXVNFFECM-UHFFFAOYSA-N -1 0 313.358 -0.029 20 0 DBADRM CCCN(CC(=O)N(C)C)C(=O)COC1CN(C(=O)[O-])C1 ZINC000826898585 603764953 /nfs/dbraw/zinc/76/49/53/603764953.db2.gz YOSBVGPWHHRUSI-UHFFFAOYSA-N -1 0 301.343 -0.308 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000827479985 603765328 /nfs/dbraw/zinc/76/53/28/603765328.db2.gz AKOIACPVODBPKA-SECBINFHSA-N -1 0 322.387 -0.633 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000825696248 603769907 /nfs/dbraw/zinc/76/99/07/603769907.db2.gz KDVXLCLNFNRHNJ-QMMMGPOBSA-N -1 0 312.326 -0.425 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000824282621 603771880 /nfs/dbraw/zinc/77/18/80/603771880.db2.gz BLTCURCXNCAPPB-JTQLQIEISA-N -1 0 321.351 -0.078 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000827960476 603772523 /nfs/dbraw/zinc/77/25/23/603772523.db2.gz JJOCTSYVVGWMRW-NXEZZACHSA-N -1 0 313.354 -0.262 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)COCCNC(=O)[O-])CCO1 ZINC000828664370 603776044 /nfs/dbraw/zinc/77/60/44/603776044.db2.gz ZLLNIUMFPFIXPL-SECBINFHSA-N -1 0 304.299 -0.939 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cnn1C ZINC000829876653 603776014 /nfs/dbraw/zinc/77/60/14/603776014.db2.gz HLCOWHBUHJXMSS-SECBINFHSA-N -1 0 309.326 -0.074 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000824430866 603781266 /nfs/dbraw/zinc/78/12/66/603781266.db2.gz BGYVBLVNYHAJIA-SECBINFHSA-N -1 0 307.324 -0.326 20 0 DBADRM CC(C)[C@H](OC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)NC(N)=O ZINC000824151593 603784860 /nfs/dbraw/zinc/78/48/60/603784860.db2.gz YUDCDVCTLQKQJE-MADCSZMMSA-N -1 0 319.289 -0.159 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)C[C@@H](C)NC(=O)[O-])CCN2C1=O ZINC000827198367 603785028 /nfs/dbraw/zinc/78/50/28/603785028.db2.gz IAENICYXRJOEKJ-RKDXNWHRSA-N -1 0 312.326 -0.473 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000831283526 603785120 /nfs/dbraw/zinc/78/51/20/603785120.db2.gz OQSOTCZLPJTWDD-HTQZYQBOSA-N -1 0 300.340 -0.725 20 0 DBADRM CCN(CC(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)C(=O)[O-] ZINC000826996959 603785381 /nfs/dbraw/zinc/78/53/81/603785381.db2.gz POMCJUXBRFMRMO-VIFPVBQESA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCCOC[C@@H]1CCCO1 ZINC000831680104 603791286 /nfs/dbraw/zinc/79/12/86/603791286.db2.gz BWAOOMLCPMUZIV-SDDRHHMPSA-N -1 0 316.354 -0.199 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000828903994 603795444 /nfs/dbraw/zinc/79/54/44/603795444.db2.gz ROSZFVWBJMGHGH-VHSXEESVSA-N -1 0 316.358 -0.469 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000828903990 603795781 /nfs/dbraw/zinc/79/57/81/603795781.db2.gz ROSZFVWBJMGHGH-NXEZZACHSA-N -1 0 316.358 -0.469 20 0 DBADRM CO[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])C(F)(F)F ZINC000828836180 603796423 /nfs/dbraw/zinc/79/64/23/603796423.db2.gz MRLDADUDYUSEEA-DSYKOEDSSA-N -1 0 300.233 -0.207 20 0 DBADRM CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828552378 603797265 /nfs/dbraw/zinc/79/72/65/603797265.db2.gz PTCNZDFQFBGBMN-KBUNVGBDSA-N -1 0 305.262 -0.534 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)CC1CN(C(=O)[O-])C1 ZINC000828311895 603803679 /nfs/dbraw/zinc/80/36/79/603803679.db2.gz DGQUJBRJIZQPLM-UHFFFAOYSA-N -1 0 319.383 -0.520 20 0 DBADRM COC(=O)[C@]1(F)CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000828619221 603803871 /nfs/dbraw/zinc/80/38/71/603803871.db2.gz SZQZCTXPYPCMFN-RWYTXXIDSA-N -1 0 304.274 -0.787 20 0 DBADRM COC(=O)[C@H]1COCCN1C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828639903 603807860 /nfs/dbraw/zinc/80/78/60/603807860.db2.gz IQEGKQASIVBXRJ-PRHODGIISA-N -1 0 304.274 -0.521 20 0 DBADRM NC(=O)NCCNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1 ZINC000831208605 603808392 /nfs/dbraw/zinc/80/83/92/603808392.db2.gz SETBNBRYIWXHRL-UHFFFAOYSA-N -1 0 306.322 -0.424 20 0 DBADRM COCCOC1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000828994941 603812130 /nfs/dbraw/zinc/81/21/30/603812130.db2.gz BISRETNDMAFVMP-JQWIXIFHSA-N -1 0 316.354 -0.246 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)NCc1nnnn1C1CC1)C1CC1 ZINC000832426993 603817434 /nfs/dbraw/zinc/81/74/34/603817434.db2.gz DQFMUQCMTOHCFQ-VIFPVBQESA-N -1 0 309.330 -0.147 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N(C)CCCNC(=O)[O-])n1C ZINC000830887327 603817917 /nfs/dbraw/zinc/81/79/17/603817917.db2.gz HNMCTPXPBKVEQA-UHFFFAOYSA-N -1 0 312.374 -0.329 20 0 DBADRM CC(C)c1nncn1CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000824511114 603818929 /nfs/dbraw/zinc/81/89/29/603818929.db2.gz OEOZXZRALVCFLP-VHSXEESVSA-N -1 0 311.342 -0.369 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)N[C@@H](CNC(=O)[O-])C2CC2)cn1 ZINC000830993865 603819058 /nfs/dbraw/zinc/81/90/58/603819058.db2.gz NPHGGJYBFYHXFV-QWRGUYRKSA-N -1 0 311.342 -0.201 20 0 DBADRM C[C@H](NC(=O)CN1CC[C@@H](N(C)C(=O)[O-])C1)C(=O)N(C)C ZINC000825122238 603820018 /nfs/dbraw/zinc/82/00/18/603820018.db2.gz QBVUIIHYVYFFSF-VHSXEESVSA-N -1 0 300.359 -0.737 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000829675077 603822414 /nfs/dbraw/zinc/82/24/14/603822414.db2.gz VHHIUJLBXHNHMI-UWVGGRQHSA-N -1 0 322.383 -0.400 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000829669890 603822555 /nfs/dbraw/zinc/82/25/55/603822555.db2.gz RLWSYGRYYXVXOE-BDAKNGLRSA-N -1 0 320.367 -0.959 20 0 DBADRM CCOC(=O)C1(O)CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000827293293 603822787 /nfs/dbraw/zinc/82/27/87/603822787.db2.gz YYKONHRVIVAWEO-UHFFFAOYSA-N -1 0 314.338 -0.097 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCC1(O)Cc2ccccc2C1 ZINC000831627685 603825135 /nfs/dbraw/zinc/82/51/35/603825135.db2.gz MGWZCDMBCIAMHL-STQMWFEESA-N -1 0 320.345 -0.254 20 0 DBADRM CC(C)CNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000824262652 603825207 /nfs/dbraw/zinc/82/52/07/603825207.db2.gz DYYIGLXQBNBYLJ-AEJSXWLSSA-N -1 0 302.327 -0.197 20 0 DBADRM CCN(CC)C(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000827019717 603828353 /nfs/dbraw/zinc/82/83/53/603828353.db2.gz CENAEEMKFOJHAA-AEJSXWLSSA-N -1 0 302.327 -0.100 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=S)NCCNS(C)(=O)=O)C1 ZINC000827876088 603828857 /nfs/dbraw/zinc/82/88/57/603828857.db2.gz PLABPUSEUSROMG-QMMMGPOBSA-N -1 0 324.428 -0.906 20 0 DBADRM CCCCNC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000826836422 603830871 /nfs/dbraw/zinc/83/08/71/603830871.db2.gz KORSCHIALIOPCS-IVZWLZJFSA-N -1 0 302.327 -0.052 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)CC2CN(C(=O)[O-])C2)CCO1 ZINC000827300894 603831608 /nfs/dbraw/zinc/83/16/08/603831608.db2.gz XYFFFCTXHXKCJM-JTQLQIEISA-N -1 0 300.311 -0.223 20 0 DBADRM CC1N=NC(=S)N1CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000830894725 603833927 /nfs/dbraw/zinc/83/39/27/603833927.db2.gz XKMRGVBQCNWWEP-HTQZYQBOSA-N -1 0 315.355 -0.895 20 0 DBADRM CC(C)(C)OC(=O)CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000823785759 603834884 /nfs/dbraw/zinc/83/48/84/603834884.db2.gz RGPRPYZDSNTKOI-RKDXNWHRSA-N -1 0 302.327 -0.052 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)OC[C@@H]1CCN(C(=O)[O-])C1 ZINC000825697783 603835361 /nfs/dbraw/zinc/83/53/61/603835361.db2.gz SZQAYKQWKDBIHC-MRVPVSSYSA-N -1 0 313.310 -0.140 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCCOC1CCOCC1 ZINC000831681615 603836970 /nfs/dbraw/zinc/83/69/70/603836970.db2.gz VZZVOTQEEIXJEJ-JQWIXIFHSA-N -1 0 316.354 -0.199 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCCOC1CCOCC1 ZINC000831681616 603837019 /nfs/dbraw/zinc/83/70/19/603837019.db2.gz VZZVOTQEEIXJEJ-PWSUYJOCSA-N -1 0 316.354 -0.199 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000831189964 603846928 /nfs/dbraw/zinc/84/69/28/603846928.db2.gz IDCJJZPXHGFTFZ-ZDUSSCGKSA-N -1 0 316.333 -0.902 20 0 DBADRM CCn1nc2c(cc1=O)CN(C(=O)NCCCNC(=O)[O-])CC2 ZINC000827724900 603852156 /nfs/dbraw/zinc/85/21/56/603852156.db2.gz ZKIYIEQXPNXFOL-UHFFFAOYSA-N -1 0 323.353 -0.011 20 0 DBADRM CC[C@H](NC(=O)NCCN(C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000826613687 603852298 /nfs/dbraw/zinc/85/22/98/603852298.db2.gz OPAAZWLMBXZIPB-JTQLQIEISA-N -1 0 316.358 -0.467 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000828664137 603855692 /nfs/dbraw/zinc/85/56/92/603855692.db2.gz WEERQXKNWQICLH-UWVGGRQHSA-N -1 0 315.326 -0.288 20 0 DBADRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)N1CCS(=O)(=O)CC1 ZINC000832467538 603858596 /nfs/dbraw/zinc/85/85/96/603858596.db2.gz PMNSHUCOVTZXCR-ZJUUUORDSA-N -1 0 319.383 -0.137 20 0 DBADRM C[C@@H]1CN(CCNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000826057091 603869799 /nfs/dbraw/zinc/86/97/99/603869799.db2.gz GMAZUQZYFGTNAB-MFKMUULPSA-N -1 0 303.334 -0.085 20 0 DBADRM CCN(C)C(=O)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000826988531 603873119 /nfs/dbraw/zinc/87/31/19/603873119.db2.gz JKXQFHDBVUOKIL-UHFFFAOYSA-N -1 0 312.326 -0.471 20 0 DBADRM C[C@]1(C(=O)NCCCNS(C)(=O)=O)CCN(C(=O)[O-])C1 ZINC000825662013 603873406 /nfs/dbraw/zinc/87/34/06/603873406.db2.gz BSKBTVUGFKTMHX-NSHDSACASA-N -1 0 307.372 -0.568 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000828639013 603879927 /nfs/dbraw/zinc/87/99/27/603879927.db2.gz DRPWLQNKHWIGFM-PELKAZGASA-N -1 0 304.274 -0.521 20 0 DBADRM CN(C(=S)NCCS(C)(=O)=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827949291 603881742 /nfs/dbraw/zinc/88/17/42/603881742.db2.gz JIBUGFIDYAZGDQ-MRVPVSSYSA-N -1 0 309.413 -0.410 20 0 DBADRM CO[C@@H]1C[C@H](NC(=O)CN2CCN(C(=O)[O-])CC2=O)C1(C)C ZINC000828873291 603883966 /nfs/dbraw/zinc/88/39/66/603883966.db2.gz AQBNTASWGWTLML-VHSXEESVSA-N -1 0 313.354 -0.262 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCCCN2C(=O)CCC2=O)C1 ZINC000831902706 603885582 /nfs/dbraw/zinc/88/55/82/603885582.db2.gz QMGHIUBSINYVBC-ZDUSSCGKSA-N -1 0 315.301 -0.266 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000827265998 603887828 /nfs/dbraw/zinc/88/78/28/603887828.db2.gz PLNQACOTWZGEJF-SNVBAGLBSA-N -1 0 311.335 -0.866 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)N2CCCS(=O)(=O)CC2)C1 ZINC000831895902 603890906 /nfs/dbraw/zinc/89/09/06/603890906.db2.gz QGMYWYFMYNJFQG-NSHDSACASA-N -1 0 308.331 -0.275 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000831896820 603893719 /nfs/dbraw/zinc/89/37/19/603893719.db2.gz YDGHQCOOEBXHFB-KCJUWKMLSA-N -1 0 308.331 -0.228 20 0 DBADRM COCCCNC(=O)[C@H](C)OC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000828950872 603898633 /nfs/dbraw/zinc/89/86/33/603898633.db2.gz VETYPNNPJGUUFW-UWVGGRQHSA-N -1 0 318.326 -0.550 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828267117 603906486 /nfs/dbraw/zinc/90/64/86/603906486.db2.gz OVPTVJBAZZUSSQ-JOYOIKCWSA-N -1 0 322.358 -0.029 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828267118 603906583 /nfs/dbraw/zinc/90/65/83/603906583.db2.gz OVPTVJBAZZUSSQ-SKDRFNHKSA-N -1 0 322.358 -0.029 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000827300499 603906644 /nfs/dbraw/zinc/90/66/44/603906644.db2.gz VULPISQAQNMLBL-RNCFNFMXSA-N -1 0 318.301 -0.131 20 0 DBADRM CCOCCNC(=O)COC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000827405987 603907367 /nfs/dbraw/zinc/90/73/67/603907367.db2.gz XHDASNOUDCZOMX-SECBINFHSA-N -1 0 304.299 -0.939 20 0 DBADRM CCOCCNC(=O)COC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000827404672 603907653 /nfs/dbraw/zinc/90/76/53/603907653.db2.gz GTXRHMRWXMZQEX-GFCCVEGCSA-N -1 0 306.290 -0.226 20 0 DBADRM C[C@H](OC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C(=O)NC(N)=O ZINC000825591978 603911031 /nfs/dbraw/zinc/91/10/31/603911031.db2.gz DUJDJAXEQDYTPW-JGVFFNPUSA-N -1 0 317.298 -0.728 20 0 DBADRM NC(=O)NC(=O)COC(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000831209063 603923933 /nfs/dbraw/zinc/92/39/33/603923933.db2.gz ZDDDKLRXEWTOMX-SECBINFHSA-N -1 0 309.278 -0.224 20 0 DBADRM C[C@@H](COC(=O)[C@@H]1COCCN1C(=O)[O-])CS(C)(=O)=O ZINC000824987541 603924928 /nfs/dbraw/zinc/92/49/28/603924928.db2.gz NIHXLYUFCICHBZ-IUCAKERBSA-N -1 0 309.340 -0.411 20 0 DBADRM C[C@H](COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])CS(C)(=O)=O ZINC000824980458 603925110 /nfs/dbraw/zinc/92/51/10/603925110.db2.gz PFYHGDLEGCOGER-HLTSFMKQSA-N -1 0 309.340 -0.677 20 0 DBADRM C[C@H](COC(=O)COC1CN(C(=O)[O-])C1)CS(C)(=O)=O ZINC000824987543 603926312 /nfs/dbraw/zinc/92/63/12/603926312.db2.gz NJXYDAUMCWFBSC-MRVPVSSYSA-N -1 0 309.340 -0.411 20 0 DBADRM COCCN(CC(=O)NCc1ccc(C(N)=O)nc1)C(=O)[O-] ZINC000828976952 603926375 /nfs/dbraw/zinc/92/63/75/603926375.db2.gz ZAHUVHANCYTMHS-UHFFFAOYSA-N -1 0 310.310 -0.577 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])N[C@H]1CC[S@](=O)C1 ZINC000831473587 603934262 /nfs/dbraw/zinc/93/42/62/603934262.db2.gz DIOSGPYUAUNFMD-VUPYVKPUSA-N -1 0 304.368 -0.217 20 0 DBADRM COC1(C(=O)NCCn2cnnc2C)CCN(C(=O)[O-])CC1 ZINC000828856540 603942634 /nfs/dbraw/zinc/94/26/34/603942634.db2.gz QLLQSIWYYYUJRF-UHFFFAOYSA-N -1 0 311.342 -0.138 20 0 DBADRM C[C@@]1(C(=O)N2CCO[C@@H](Cn3cncn3)C2)CCN(C(=O)[O-])C1 ZINC000825656572 603947720 /nfs/dbraw/zinc/94/77/20/603947720.db2.gz GSOKLTFTKOCLOA-BXUZGUMPSA-N -1 0 323.353 -0.105 20 0 DBADRM C[C@]1(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)CCN(C(=O)[O-])C1 ZINC000825651603 603949252 /nfs/dbraw/zinc/94/92/52/603949252.db2.gz YHEHDWZDUIOZCW-STQMWFEESA-N -1 0 310.310 -0.813 20 0 DBADRM CC1(C)CN(C(=O)[O-])CCN1C(=O)CN1CCCS1(=O)=O ZINC000825724335 603950177 /nfs/dbraw/zinc/95/01/77/603950177.db2.gz HPDCCMBPJADMLF-UHFFFAOYSA-N -1 0 319.383 -0.377 20 0 DBADRM CCO[C@@H](C)C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000827362848 603954208 /nfs/dbraw/zinc/95/42/08/603954208.db2.gz UOKTWBWRDFOYRA-QMMMGPOBSA-N -1 0 312.330 -0.032 20 0 DBADRM Cc1n[nH]cc1C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000829833754 603958086 /nfs/dbraw/zinc/95/80/86/603958086.db2.gz NNYPNSRCYZKNRR-UHFFFAOYSA-N -1 0 320.313 -0.111 20 0 DBADRM C[C@@H](CO[C@H]1CCOC1)NC(=O)COC1CN(C(=O)[O-])C1 ZINC000825000828 603960291 /nfs/dbraw/zinc/96/02/91/603960291.db2.gz BVJUTOGTUAEBQG-UWVGGRQHSA-N -1 0 302.327 -0.325 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000825002088 603961352 /nfs/dbraw/zinc/96/13/52/603961352.db2.gz SGNHRIOWXVCCLU-VWYCJHECSA-N -1 0 302.327 -0.325 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000831858277 603970515 /nfs/dbraw/zinc/97/05/15/603970515.db2.gz KYRZTUPIAKVFJI-UHFFFAOYSA-N -1 0 311.338 -0.554 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)C[C@@H](C)NC(=O)[O-])CC2 ZINC000829051065 603972172 /nfs/dbraw/zinc/97/21/72/603972172.db2.gz YBZFSWXMOMBGPC-BDAKNGLRSA-N -1 0 311.342 -0.098 20 0 DBADRM Cn1cnnc1C1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000831046054 603976346 /nfs/dbraw/zinc/97/63/46/603976346.db2.gz JKSSJENVJVOIIP-UHFFFAOYSA-N -1 0 323.353 -0.100 20 0 DBADRM CCCC[C@H](CNC(=O)[O-])NC(=O)CN1CC(=O)NC1=O ZINC000826780715 603977302 /nfs/dbraw/zinc/97/73/02/603977302.db2.gz JFEFDMGGVJNIFW-MRVPVSSYSA-N -1 0 300.315 -0.519 20 0 DBADRM CCCC[C@@H](CNC(=O)[O-])NC(=O)CN1C(=O)CN(C)C1=O ZINC000826782031 603978073 /nfs/dbraw/zinc/97/80/73/603978073.db2.gz UOJGKUQABWFVRX-VIFPVBQESA-N -1 0 314.342 -0.177 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000831246649 603980378 /nfs/dbraw/zinc/98/03/78/603980378.db2.gz SQCDGVRQBWFXKE-DJLDLDEBSA-N -1 0 305.356 -0.688 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828970878 603980394 /nfs/dbraw/zinc/98/03/94/603980394.db2.gz ILEBBWPTRVXRHQ-GHMZBOCLSA-N -1 0 315.370 -0.014 20 0 DBADRM O=C(COC(=O)CN(CC1CC1)C(=O)[O-])NC(=O)NC1CC1 ZINC000831508289 603986144 /nfs/dbraw/zinc/98/61/44/603986144.db2.gz ZVESOPIEJQVMFU-UHFFFAOYSA-N -1 0 313.310 -0.092 20 0 DBADRM C[C@@](NC(=O)COC1CN(C(=O)[O-])C1)(C(N)=O)c1ccccc1 ZINC000825128341 603990828 /nfs/dbraw/zinc/99/08/28/603990828.db2.gz RAKFYVLQLIVXEJ-HNNXBMFYSA-N -1 0 321.333 -0.118 20 0 DBADRM O=C([O-])N1CC(OCC(=O)NCCC(=O)Nc2ccncc2)C1 ZINC000831533303 603994381 /nfs/dbraw/zinc/99/43/81/603994381.db2.gz IEKVTSHDOGCSCU-UHFFFAOYSA-N -1 0 322.321 -0.673 20 0 DBADRM NC(=O)CC[C@@H]1CCCN(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000831183697 603998075 /nfs/dbraw/zinc/99/80/75/603998075.db2.gz ASBQTGKAVHULKT-JTQLQIEISA-N -1 0 313.354 -0.131 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCCCN1CCOC1=O ZINC000831534280 603999999 /nfs/dbraw/zinc/99/99/99/603999999.db2.gz WPFHMIVHKUZGNE-UHFFFAOYSA-N -1 0 301.299 -0.676 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)CC1CN(C(=O)[O-])C1)CC2 ZINC000829049884 604008154 /nfs/dbraw/zinc/00/81/54/604008154.db2.gz MBTKSJZDLGNIMF-JTQLQIEISA-N -1 0 323.353 -0.145 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)COC1CN(C(=O)[O-])C1 ZINC000823738337 604008229 /nfs/dbraw/zinc/00/82/29/604008229.db2.gz WHENUJVQTKAXJV-RKDXNWHRSA-N -1 0 322.383 -0.355 20 0 DBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)COC1CN(C(=O)[O-])C1 ZINC000823738336 604008458 /nfs/dbraw/zinc/00/84/58/604008458.db2.gz WHENUJVQTKAXJV-IUCAKERBSA-N -1 0 322.383 -0.355 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)N[C@H]1CCCS(=O)(=O)C1 ZINC000831530164 604008601 /nfs/dbraw/zinc/00/86/01/604008601.db2.gz WAOJDMSJTWKYAQ-QMMMGPOBSA-N -1 0 306.340 -0.941 20 0 DBADRM C[S@@](=O)CCNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000829698699 604008800 /nfs/dbraw/zinc/00/88/00/604008800.db2.gz AVSVIFNZDTWDHI-OAQYLSRUSA-N -1 0 320.415 -0.650 20 0 DBADRM CCCC[C@@H](CNC(=O)[O-])NC(=O)[C@H](C)NS(C)(=O)=O ZINC000826782028 604012792 /nfs/dbraw/zinc/01/27/92/604012792.db2.gz UOAGJNSKVXFJIA-IUCAKERBSA-N -1 0 309.388 -0.133 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000826093494 604014734 /nfs/dbraw/zinc/01/47/34/604014734.db2.gz FUKVJTGMSQLBCZ-MRVPVSSYSA-N -1 0 306.340 -0.989 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1Cn1nnc2c(cnn2C)c1=O ZINC000826026144 604016024 /nfs/dbraw/zinc/01/60/24/604016024.db2.gz IRXQCNULCOFYAS-MRVPVSSYSA-N -1 0 307.314 -0.833 20 0 DBADRM C[C@H]1CN(Cn2nnc3c(cnn3C)c2=O)C[C@H](C)N1C(=O)[O-] ZINC000826069685 604016161 /nfs/dbraw/zinc/01/61/61/604016161.db2.gz VYXFSLCYVQGNAC-IUCAKERBSA-N -1 0 321.341 -0.445 20 0 DBADRM C[C@@H]1CN(Cn2nnc3c(cnn3C)c2=O)C[C@H](C)N1C(=O)[O-] ZINC000826069684 604016815 /nfs/dbraw/zinc/01/68/15/604016815.db2.gz VYXFSLCYVQGNAC-DTORHVGOSA-N -1 0 321.341 -0.445 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(Cn2nnc3c(cnn3C)c2=O)C1 ZINC000827894291 604017116 /nfs/dbraw/zinc/01/71/16/604017116.db2.gz HWCBHVFMQPAYPI-MRVPVSSYSA-N -1 0 307.314 -0.833 20 0 DBADRM COC(=O)[C@H](NC(=O)COC1CN(C(=O)[O-])C1)c1ccccn1 ZINC000828613245 604019947 /nfs/dbraw/zinc/01/99/47/604019947.db2.gz VFMCOHJUWRKVSF-GFCCVEGCSA-N -1 0 323.305 -0.209 20 0 DBADRM COC(=O)[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)c1ccccn1 ZINC000828613248 604020197 /nfs/dbraw/zinc/02/01/97/604020197.db2.gz VFMCOHJUWRKVSF-LBPRGKRZSA-N -1 0 323.305 -0.209 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828683288 604037965 /nfs/dbraw/zinc/03/79/65/604037965.db2.gz HNDAMTBVQSMWIH-JGVFFNPUSA-N -1 0 302.283 -0.745 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)OCCCN2C(=O)CNC2=O)C1 ZINC000832306218 604051090 /nfs/dbraw/zinc/05/10/90/604051090.db2.gz MPOGEKCGLDPOSB-RKDXNWHRSA-N -1 0 313.310 -0.092 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)OCCCN2C(=O)CNC2=O)C1 ZINC000832306216 604051218 /nfs/dbraw/zinc/05/12/18/604051218.db2.gz MPOGEKCGLDPOSB-DTWKUNHWSA-N -1 0 313.310 -0.092 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828684236 604056229 /nfs/dbraw/zinc/05/62/29/604056229.db2.gz ROPMQMXSWIYSPX-CIUDSAMLSA-N -1 0 316.310 -0.356 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CSCN1C(=O)[O-])S(C)(=O)=O ZINC000823906831 604064824 /nfs/dbraw/zinc/06/48/24/604064824.db2.gz KWROZTQFKMKCFN-SSDOTTSWSA-N -1 0 310.397 -0.021 20 0 DBADRM CCNC(=O)C1CN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1 ZINC000827236906 604065115 /nfs/dbraw/zinc/06/51/15/604065115.db2.gz LVYYPPQGWGYGCZ-LLVKDONJSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H](NC(=O)CN1CCC[C@H]1CNC(=O)[O-])C(=O)N(C)C ZINC000825122889 604068208 /nfs/dbraw/zinc/06/82/08/604068208.db2.gz YJDANGKZJJKTIQ-UWVGGRQHSA-N -1 0 300.359 -0.689 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CCC[C@@H]1CNC(=O)[O-] ZINC000826922348 604075687 /nfs/dbraw/zinc/07/56/87/604075687.db2.gz XFJBBIWWWJGKEW-LLVKDONJSA-N -1 0 314.386 -0.297 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)NC[C@H]2CCC[C@@H]2O)CC1 ZINC000831689191 604077912 /nfs/dbraw/zinc/07/79/12/604077912.db2.gz MGGKBWAFHSMXGE-NEPJUHHUSA-N -1 0 314.386 -0.258 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)NC[C@@H]2CCC[C@@H]2O)CC1 ZINC000831689194 604078223 /nfs/dbraw/zinc/07/82/23/604078223.db2.gz MGGKBWAFHSMXGE-RYUDHWBXSA-N -1 0 314.386 -0.258 20 0 DBADRM C[C@H](CNC(=O)NCCNC(=O)[O-])C[NH+]1CCN(C)CC1 ZINC000824939746 604078960 /nfs/dbraw/zinc/07/89/60/604078960.db2.gz OYYHLQHYKYFTAA-LLVKDONJSA-N -1 0 301.391 -0.563 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000831199612 604081037 /nfs/dbraw/zinc/08/10/37/604081037.db2.gz FTXDAWXGDBRGJF-SNVBAGLBSA-N -1 0 322.321 -0.434 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCCC(=O)N1CCOCC1 ZINC000824854687 604082593 /nfs/dbraw/zinc/08/25/93/604082593.db2.gz LKYOAXABVRPMPS-SNVBAGLBSA-N -1 0 301.343 -0.403 20 0 DBADRM CC(C)[C@@H](OC(=O)CC1CN(C(=O)[O-])C1)C(=O)NC(N)=O ZINC000824149902 604086843 /nfs/dbraw/zinc/08/68/43/604086843.db2.gz JSFVNOYSDUGFSJ-SECBINFHSA-N -1 0 301.299 -0.251 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000828540756 604090145 /nfs/dbraw/zinc/09/01/45/604090145.db2.gz ALFGGTQQKHQBMA-MNOVXSKESA-N -1 0 312.370 -0.687 20 0 DBADRM C[C@@H](OC(=O)CC1CN(C(=O)[O-])C1)C(=O)NC(=O)NC1CC1 ZINC000825580891 604095254 /nfs/dbraw/zinc/09/52/54/604095254.db2.gz YFJWOQAAWWJAFX-SSDOTTSWSA-N -1 0 313.310 -0.094 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)CC1CN(C(=O)[O-])C1 ZINC000828684458 604097652 /nfs/dbraw/zinc/09/76/52/604097652.db2.gz VLYLKBSACCNWBY-SSDOTTSWSA-N -1 0 302.283 -0.793 20 0 DBADRM CCOCCN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827399609 604098846 /nfs/dbraw/zinc/09/88/46/604098846.db2.gz KYWLJLGOHRAOGT-UHFFFAOYSA-N -1 0 321.399 -0.668 20 0 DBADRM COCCCN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828950903 604099778 /nfs/dbraw/zinc/09/97/78/604099778.db2.gz WDPBSQACAYWNCF-UHFFFAOYSA-N -1 0 321.399 -0.668 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000828298874 604114510 /nfs/dbraw/zinc/11/45/10/604114510.db2.gz XSRPCQPBHJNGEN-VIFPVBQESA-N -1 0 309.326 -0.121 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000824382432 604128370 /nfs/dbraw/zinc/12/83/70/604128370.db2.gz QAYOXVFCDQUASR-VIFPVBQESA-N -1 0 309.388 -0.324 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)NC(CO)CO)C1CCCCC1 ZINC000832422734 604130172 /nfs/dbraw/zinc/13/01/72/604130172.db2.gz YVVDCLBGDBRPIT-NSHDSACASA-N -1 0 303.359 -0.145 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000825017256 604134347 /nfs/dbraw/zinc/13/43/47/604134347.db2.gz YVMFZCROJCNFMA-BDAKNGLRSA-N -1 0 307.372 -0.187 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NCCc2nnc3n2CCC3)C1 ZINC000831708787 604140825 /nfs/dbraw/zinc/14/08/25/604140825.db2.gz LDVRXURXEGNVFZ-VIFPVBQESA-N -1 0 308.342 -0.182 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1cccn(C)c1=O ZINC000826019789 604145704 /nfs/dbraw/zinc/14/57/04/604145704.db2.gz IGIHGVLARGGCGD-VIFPVBQESA-N -1 0 322.321 -0.466 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1=O ZINC000831022065 604146412 /nfs/dbraw/zinc/14/64/12/604146412.db2.gz AQRGGQVHZRZKAN-SECBINFHSA-N -1 0 322.321 -0.418 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccn(C)c2=O)CCN1C(=O)[O-] ZINC000825962163 604147245 /nfs/dbraw/zinc/14/72/45/604147245.db2.gz OIVGDWPUJXKJDR-VIFPVBQESA-N -1 0 322.321 -0.466 20 0 DBADRM NC(=O)CNC(=S)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000831189789 604149665 /nfs/dbraw/zinc/14/96/65/604149665.db2.gz GTSMNCBTSLZXHR-UHFFFAOYSA-N -1 0 318.399 -0.515 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)CCc1nnc[nH]1 ZINC000828096201 604149754 /nfs/dbraw/zinc/14/97/54/604149754.db2.gz ZTSFEVNMFZSTOW-UHFFFAOYSA-N -1 0 324.341 -0.982 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)n(C)n1 ZINC000830091091 604153691 /nfs/dbraw/zinc/15/36/91/604153691.db2.gz YYDCSIQTDZWGAY-VIFPVBQESA-N -1 0 309.326 -0.122 20 0 DBADRM O=C([O-])N(CC(=O)N1CCN(CCO)CC1)C[C@H]1CCCO1 ZINC000831820696 604160171 /nfs/dbraw/zinc/16/01/71/604160171.db2.gz LZVIIPUGINNQSC-GFCCVEGCSA-N -1 0 315.370 -0.718 20 0 DBADRM CC(C)[C@@H](CO)NC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000824434997 604164567 /nfs/dbraw/zinc/16/45/67/604164567.db2.gz RRIGIOZUIARTLY-GFCCVEGCSA-N -1 0 316.402 -0.012 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000824831865 604169289 /nfs/dbraw/zinc/16/92/89/604169289.db2.gz HGMQMJDYXAVBKF-BDAKNGLRSA-N -1 0 307.372 -0.488 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H](C)CN(C)C(=O)[O-])C1 ZINC000828572599 604172626 /nfs/dbraw/zinc/17/26/26/604172626.db2.gz FFXCAYCRXXVBHZ-ZJUUUORDSA-N -1 0 321.399 -0.228 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)CC2(NC(=O)[O-])CCC2)C1 ZINC000829688809 604178186 /nfs/dbraw/zinc/17/81/86/604178186.db2.gz WPZFIJLVBALCBC-SECBINFHSA-N -1 0 319.383 -0.283 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000824834423 604181368 /nfs/dbraw/zinc/18/13/68/604181368.db2.gz XEKCMAIXXXFZCN-RKDXNWHRSA-N -1 0 307.372 -0.488 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000824881075 604191976 /nfs/dbraw/zinc/19/19/76/604191976.db2.gz SUPMXQLVQZVHEZ-QMMMGPOBSA-N -1 0 312.330 -0.449 20 0 DBADRM C[C@H](COC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)NC(=O)[O-] ZINC000824988474 604195435 /nfs/dbraw/zinc/19/54/35/604195435.db2.gz SCNRKTJNQJDVKW-UHLUBPPHSA-N -1 0 313.310 -0.094 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)OCC[C@@H]1CCCO1 ZINC000831489145 604209275 /nfs/dbraw/zinc/20/92/75/604209275.db2.gz OHXRJDJHWXDKQB-JTQLQIEISA-N -1 0 300.311 -0.079 20 0 DBADRM CN(C)c1nc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cs1 ZINC000828077648 604209328 /nfs/dbraw/zinc/20/93/28/604209328.db2.gz QXDRYNYJDRWYLH-RKDXNWHRSA-N -1 0 314.367 -0.062 20 0 DBADRM C[C@@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)[C@H]1CCOC1 ZINC000825592176 604210913 /nfs/dbraw/zinc/21/09/13/604210913.db2.gz HRWDVOAIPCGOGW-ZJUUUORDSA-N -1 0 300.311 -0.223 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)[C@@H]3CCCN3C(=O)[O-])CC2)C1=O ZINC000828445841 604210946 /nfs/dbraw/zinc/21/09/46/604210946.db2.gz PSOPNSLZBRAXQO-VIFPVBQESA-N -1 0 324.337 -0.328 20 0 DBADRM C[C@@]1([C@@H]2CCCN(C(=O)CCNC(=O)[O-])C2)NC(=O)NC1=O ZINC000825740278 604212667 /nfs/dbraw/zinc/21/26/67/604212667.db2.gz VGAGNQXIHKSOBW-OQPBUACISA-N -1 0 312.326 -0.519 20 0 DBADRM CN(CC(=O)N1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1)C(=O)[O-] ZINC000828091225 604213673 /nfs/dbraw/zinc/21/36/73/604213673.db2.gz WIUDJXQKAFEQOD-OQPBUACISA-N -1 0 312.326 -0.567 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CCNC(N)=O ZINC000826115165 604224176 /nfs/dbraw/zinc/22/41/76/604224176.db2.gz BXTIUASDRSINLR-JGVFFNPUSA-N -1 0 302.331 -0.336 20 0 DBADRM O=C([O-])NCCC(=O)O[C@@H]1CCN(C2CCOCC2)C1=O ZINC000832605025 604227220 /nfs/dbraw/zinc/22/72/20/604227220.db2.gz HCXIFIVPGONTNJ-SNVBAGLBSA-N -1 0 300.311 -0.033 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCCCN(C)C(=O)[O-] ZINC000828670848 604228672 /nfs/dbraw/zinc/22/86/72/604228672.db2.gz LHTYOSMJHOORLS-UHFFFAOYSA-N -1 0 311.360 -0.684 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C ZINC000824890528 604240900 /nfs/dbraw/zinc/24/09/00/604240900.db2.gz WBPORTMMGZHCMH-IUCAKERBSA-N -1 0 317.342 -0.632 20 0 DBADRM NC(=O)Cn1cc(C(=O)OCC2CCN(C(=O)[O-])CC2)nn1 ZINC000831200095 604245945 /nfs/dbraw/zinc/24/59/45/604245945.db2.gz SHOOPROIYUCAJB-UHFFFAOYSA-N -1 0 311.298 -0.690 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000827966963 604249933 /nfs/dbraw/zinc/24/99/33/604249933.db2.gz QPMVMJDGDUIOHW-UHFFFAOYSA-N -1 0 324.341 -0.201 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000825254722 604260949 /nfs/dbraw/zinc/26/09/49/604260949.db2.gz OHESIZIAADCKQW-IUCAKERBSA-N -1 0 324.341 -0.728 20 0 DBADRM COC(=O)[C@H]1COCCN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828639003 604267342 /nfs/dbraw/zinc/26/73/42/604267342.db2.gz DOTJSEPCUQTXNZ-VHSXEESVSA-N -1 0 316.310 -0.844 20 0 DBADRM CCN(CCNC(=O)NC[C@@H]1CCCS1(=O)=O)C(=O)[O-] ZINC000827146883 604268478 /nfs/dbraw/zinc/26/84/78/604268478.db2.gz UWJISPUQDMLKPL-VIFPVBQESA-N -1 0 307.372 -0.137 20 0 DBADRM NC(=O)C[C@H]1CCCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831185059 604268938 /nfs/dbraw/zinc/26/89/38/604268938.db2.gz PHIWAOVDTKTDMP-MNOVXSKESA-N -1 0 313.354 -0.131 20 0 DBADRM NC(=O)C[C@H]1CCCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831185057 604268942 /nfs/dbraw/zinc/26/89/42/604268942.db2.gz PHIWAOVDTKTDMP-GHMZBOCLSA-N -1 0 313.354 -0.131 20 0 DBADRM C[C@@H](CCNC(=O)NC[C@H]1CCCS1(=O)=O)NC(=O)[O-] ZINC000824793515 604269285 /nfs/dbraw/zinc/26/92/85/604269285.db2.gz LPISKVYEEYVNEQ-DTWKUNHWSA-N -1 0 307.372 -0.091 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NC[C@@]1(CCO)CCOC1 ZINC000831628497 604270123 /nfs/dbraw/zinc/27/01/23/604270123.db2.gz ULEAABJUHUYPLU-BXKDBHETSA-N -1 0 304.368 -0.055 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)NC[C@@]2(O)CCSC2)C1 ZINC000831381436 604270591 /nfs/dbraw/zinc/27/05/91/604270591.db2.gz KBGFEBJTUZSVQG-CABZTGNLSA-N -1 0 304.368 -0.261 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)NC[C@]2(O)CCSC2)C1 ZINC000831381434 604270772 /nfs/dbraw/zinc/27/07/72/604270772.db2.gz KBGFEBJTUZSVQG-BXKDBHETSA-N -1 0 304.368 -0.261 20 0 DBADRM C[C@@]1([C@@H]2CCCN(c3ccc(C(=O)[O-])nn3)C2)NC(=O)NC1=O ZINC000828087638 604275006 /nfs/dbraw/zinc/27/50/06/604275006.db2.gz CZORVOAPDYBXFT-CLAHSXSESA-N -1 0 319.321 -0.011 20 0 DBADRM NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000831173772 604275791 /nfs/dbraw/zinc/27/57/91/604275791.db2.gz OJHYLHNNVMYQRN-AXFHLTTASA-N -1 0 313.354 -0.084 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)nn1 ZINC000825527705 604278682 /nfs/dbraw/zinc/27/86/82/604278682.db2.gz GFBCZEYBTPZGQL-NXEZZACHSA-N -1 0 311.342 -0.210 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)nn1 ZINC000825528729 604278743 /nfs/dbraw/zinc/27/87/43/604278743.db2.gz SAICNAATIQQGHY-AEJSXWLSSA-N -1 0 311.342 -0.069 20 0 DBADRM C[C@H](O)c1cn(CC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)nn1 ZINC000825528930 604278775 /nfs/dbraw/zinc/27/87/75/604278775.db2.gz VVYMWFBHQVHXSW-UWVGGRQHSA-N -1 0 311.342 -0.162 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)nn1 ZINC000825528929 604278839 /nfs/dbraw/zinc/27/88/39/604278839.db2.gz VVYMWFBHQVHXSW-NXEZZACHSA-N -1 0 311.342 -0.162 20 0 DBADRM CC(C)(CNC(=O)NC[C@H]1CCCS1(=O)=O)NC(=O)[O-] ZINC000823931018 604279878 /nfs/dbraw/zinc/27/98/78/604279878.db2.gz UMCZNMCDJSWVMR-MRVPVSSYSA-N -1 0 307.372 -0.091 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000828648567 604282451 /nfs/dbraw/zinc/28/24/51/604282451.db2.gz UVCSFMYAYSHIOC-ZJUUUORDSA-N -1 0 300.311 -0.177 20 0 DBADRM CN1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C(C)(C)C1=O ZINC000828493813 604285043 /nfs/dbraw/zinc/28/50/43/604285043.db2.gz CZRUAPDVFYIHHO-SNVBAGLBSA-N -1 0 313.354 -0.166 20 0 DBADRM COC(=O)[C@]1(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCOC1 ZINC000828624530 604285197 /nfs/dbraw/zinc/28/51/97/604285197.db2.gz PHLAGEQDTAYPGZ-RNCFNFMXSA-N -1 0 316.310 -0.796 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=S)NCCCN2CCOCC2)C1 ZINC000740592844 604285772 /nfs/dbraw/zinc/28/57/72/604285772.db2.gz IQPUHSXLDRYVJO-LLVKDONJSA-N -1 0 316.427 -0.075 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828617914 604298318 /nfs/dbraw/zinc/29/83/18/604298318.db2.gz JIMMSMIURGTJAU-NOZJJQNGSA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)CCN1C(=O)[O-] ZINC000825994567 604302895 /nfs/dbraw/zinc/30/28/95/604302895.db2.gz BKSIVZGNUAENOV-UWVGGRQHSA-N -1 0 319.383 -0.043 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000826025535 604302976 /nfs/dbraw/zinc/30/29/76/604302976.db2.gz ALQHHGDNRAPCMG-UWVGGRQHSA-N -1 0 319.383 -0.043 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)CNC(=O)c2cccnc2)CCO1 ZINC000833216418 604304489 /nfs/dbraw/zinc/30/44/89/604304489.db2.gz PHLGAMJZAHZHQY-LLVKDONJSA-N -1 0 307.306 -0.487 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000830993001 604305103 /nfs/dbraw/zinc/30/51/03/604305103.db2.gz DJNLJGAGHCUHMY-GHMZBOCLSA-N -1 0 312.326 -0.661 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NC[C@@]2(CCO)CCOC2)C1 ZINC000831627180 604306192 /nfs/dbraw/zinc/30/61/92/604306192.db2.gz GWEKPFIXOZESRT-GXFFZTMASA-N -1 0 302.327 -0.730 20 0 DBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)[C@@H](C)NC(=O)[O-] ZINC000826690758 604310875 /nfs/dbraw/zinc/31/08/75/604310875.db2.gz MFAJXDQFZNCIGJ-BBBLOLIVSA-N -1 0 321.399 -0.181 20 0 DBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)[C@H](C)NC(=O)[O-] ZINC000826690759 604310940 /nfs/dbraw/zinc/31/09/40/604310940.db2.gz MFAJXDQFZNCIGJ-GUBZILKMSA-N -1 0 321.399 -0.181 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)O1 ZINC000825865068 604314153 /nfs/dbraw/zinc/31/41/53/604314153.db2.gz DSQRECPTMKTHJH-GHMZBOCLSA-N -1 0 313.354 -0.166 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)C[C@H]1C(=O)[O-] ZINC000134181872 604316975 /nfs/dbraw/zinc/31/69/75/604316975.db2.gz OXFPTUNQESJPIZ-KXUCPTDWSA-N -1 0 304.368 -0.074 20 0 DBADRM COC(=O)[C@@H](C)NC(=O)c1ccc(C(=O)N[C@H](C)C(=O)[O-])o1 ZINC000831215369 604317447 /nfs/dbraw/zinc/31/74/47/604317447.db2.gz RPQZHONABUZDRI-RNFRBKRXSA-N -1 0 312.278 -0.226 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)NCCn2ncnn2)cc1 ZINC000380119929 604317856 /nfs/dbraw/zinc/31/78/56/604317856.db2.gz BJKMTKWKWOGONC-UHFFFAOYSA-N -1 0 306.282 -0.042 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 ZINC000825171154 604324388 /nfs/dbraw/zinc/32/43/88/604324388.db2.gz HWYTVTMUWMDIPY-QMMMGPOBSA-N -1 0 307.372 -0.475 20 0 DBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)CCNC(=O)[O-] ZINC000826691100 604323350 /nfs/dbraw/zinc/32/33/50/604323350.db2.gz OIVKIXCPGQYROM-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CNC(=O)[O-] ZINC000826692102 604323385 /nfs/dbraw/zinc/32/33/85/604323385.db2.gz ZXFOWHZEWRZAGP-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM CCN(CC)S(=O)(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000827046285 604331868 /nfs/dbraw/zinc/33/18/68/604331868.db2.gz QQZYOTATIPLYIW-SNVBAGLBSA-N -1 0 308.404 -0.543 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000829834332 604332830 /nfs/dbraw/zinc/33/28/30/604332830.db2.gz SCPXGXAOQQLDSA-VIFPVBQESA-N -1 0 317.371 -0.710 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](NC(=O)[O-])C2)C[C@H](C)O1 ZINC000739186704 604337132 /nfs/dbraw/zinc/33/71/32/604337132.db2.gz BKVLXOVFTWVNHP-KXUCPTDWSA-N -1 0 307.372 -0.318 20 0 DBADRM O=C([O-])c1sccc1CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000833357409 604352874 /nfs/dbraw/zinc/35/28/74/604352874.db2.gz DQXDIWRMRVWPEF-VIFPVBQESA-N -1 0 309.347 -0.411 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@H](CO)OC[C@@H]1C)C(=O)[O-] ZINC000828709937 604354321 /nfs/dbraw/zinc/35/43/21/604354321.db2.gz UOWOZLRWIYVUMO-KQXIARHKSA-N -1 0 302.371 -0.317 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000760118858 604356174 /nfs/dbraw/zinc/35/61/74/604356174.db2.gz MGWAGCZKNAMAMZ-ZCFIWIBFSA-N -1 0 309.731 -0.452 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@@H]2CNC(=O)[O-])O1 ZINC000831173377 604356249 /nfs/dbraw/zinc/35/62/49/604356249.db2.gz MEZDPFLHBATCSU-BBBLOLIVSA-N -1 0 314.342 -0.539 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cnc(Cl)n1C ZINC000760099063 604356293 /nfs/dbraw/zinc/35/62/93/604356293.db2.gz CNUPFTLZHWQHMA-UHFFFAOYSA-N -1 0 311.747 -0.205 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CCNC(=O)[O-])C1 ZINC000827300579 604363230 /nfs/dbraw/zinc/36/32/30/604363230.db2.gz XLZVEEHUKWQNQA-LLVKDONJSA-N -1 0 315.370 -0.013 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000738525477 604368825 /nfs/dbraw/zinc/36/88/25/604368825.db2.gz VRHXDIMFCLYFCT-ZYHUDNBSSA-N -1 0 312.370 -0.593 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)C2(CNC(=O)[O-])CCCC2)O1 ZINC000831174540 604394647 /nfs/dbraw/zinc/39/46/47/604394647.db2.gz VGHJBKXBRBWXQW-UWVGGRQHSA-N -1 0 313.354 -0.037 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000829730220 604394651 /nfs/dbraw/zinc/39/46/51/604394651.db2.gz LJRFVFWAFIVWCN-VGMNWLOBSA-N -1 0 319.383 -0.475 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000829730221 604394734 /nfs/dbraw/zinc/39/47/34/604394734.db2.gz LJRFVFWAFIVWCN-XHNCKOQMSA-N -1 0 319.383 -0.475 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)C2(CNC(=O)[O-])CCCC2)O1 ZINC000831174542 604394849 /nfs/dbraw/zinc/39/48/49/604394849.db2.gz VGHJBKXBRBWXQW-ZJUUUORDSA-N -1 0 313.354 -0.037 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000167100883 604394919 /nfs/dbraw/zinc/39/49/19/604394919.db2.gz GEEPNPZIUUPLCG-HTQZYQBOSA-N -1 0 305.308 -0.252 20 0 DBADRM CN1CCN(C(=O)CN2CCSC2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828500390 604395070 /nfs/dbraw/zinc/39/50/70/604395070.db2.gz JNHNPNQLUSLLHV-VIFPVBQESA-N -1 0 316.383 -0.435 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CSC(=O)N2)[C@@H](CNC(=O)[O-])C1 ZINC000828496494 604396732 /nfs/dbraw/zinc/39/67/32/604396732.db2.gz XKMHJOZZVIGGNE-YUMQZZPRSA-N -1 0 302.356 -0.778 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)[C@H](CNC(=O)[O-])C1 ZINC000828488206 604396870 /nfs/dbraw/zinc/39/68/70/604396870.db2.gz LOGGDYNKSGAFOF-ZYHUDNBSSA-N -1 0 324.381 -0.593 20 0 DBADRM Cn1cc(C(=O)C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])cn1 ZINC000828487160 604402376 /nfs/dbraw/zinc/40/23/76/604402376.db2.gz HZUDJUWGQMATQS-JTQLQIEISA-N -1 0 309.326 -0.987 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cc(=O)n(C)c(=O)n1C ZINC000827022273 604403880 /nfs/dbraw/zinc/40/38/80/604403880.db2.gz UKGYRNJMMZEZQW-NSHDSACASA-N -1 0 313.354 -0.606 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C[C@H](O)CN1CCOCC1 ZINC000827017317 604404693 /nfs/dbraw/zinc/40/46/93/604404693.db2.gz XJOOTRIYSCUBDG-QWHCGFSZSA-N -1 0 304.387 -0.511 20 0 DBADRM Cn1cc(/C=C\C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])cn1 ZINC000828495723 604404746 /nfs/dbraw/zinc/40/47/46/604404746.db2.gz RUYLILWOPOTDIW-MVZIDQBPSA-N -1 0 307.354 -0.157 20 0 DBADRM O=C([O-])N1CCc2c(cccc2NC(=O)C(=O)NCCO)C1 ZINC000831692744 604406570 /nfs/dbraw/zinc/40/65/70/604406570.db2.gz AQLRGLKDKLCQAG-UHFFFAOYSA-N -1 0 307.306 -0.230 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])C1 ZINC000827229101 604407070 /nfs/dbraw/zinc/40/70/70/604407070.db2.gz UKJROKKJSRNDBQ-RYUDHWBXSA-N -1 0 314.386 -0.883 20 0 DBADRM CN1CCN(C(=O)c2cc(C(N)=O)c[nH]2)[C@@H](CNC(=O)[O-])C1 ZINC000828507665 604407468 /nfs/dbraw/zinc/40/74/68/604407468.db2.gz RZQKDJGDXBBALU-VIFPVBQESA-N -1 0 309.326 -0.863 20 0 DBADRM CN1CCN(C(=O)c2ccc3nnnn3c2)[C@@H](CNC(=O)[O-])C1 ZINC000828514084 604408187 /nfs/dbraw/zinc/40/81/87/604408187.db2.gz UGHYLSPJYBYRFS-JTQLQIEISA-N -1 0 319.325 -0.852 20 0 DBADRM O=C([O-])COC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000819532969 604408627 /nfs/dbraw/zinc/40/86/27/604408627.db2.gz WRAVAVHIXIIAHC-UHFFFAOYSA-N -1 0 322.321 -0.467 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000831631692 604408665 /nfs/dbraw/zinc/40/86/65/604408665.db2.gz LWKAHMLNZJDFOX-SECBINFHSA-N -1 0 311.747 -0.159 20 0 DBADRM CCNC(=O)CCC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000827237665 604409121 /nfs/dbraw/zinc/40/91/21/604409121.db2.gz XDINBBHGABCCTO-SNVBAGLBSA-N -1 0 300.359 -0.687 20 0 DBADRM CN1CCN(C(=O)c2ccc3n[nH]nc3c2)[C@@H](CNC(=O)[O-])C1 ZINC000828513867 604409761 /nfs/dbraw/zinc/40/97/61/604409761.db2.gz RASQKDLKAGCZFE-JTQLQIEISA-N -1 0 318.337 -0.018 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC2CN(C(=O)[O-])C2)o1 ZINC000828788897 604414179 /nfs/dbraw/zinc/41/41/79/604414179.db2.gz MSVKZICRNJRLDQ-UHFFFAOYSA-N -1 0 304.280 -0.293 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000824961088 604416703 /nfs/dbraw/zinc/41/67/03/604416703.db2.gz YBGMAHXVOPFNET-HLTSFMKQSA-N -1 0 302.331 -0.683 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN([C@@H]2CC(=O)N(C3CC3)C2=O)CCO1 ZINC000825344208 604417469 /nfs/dbraw/zinc/41/74/69/604417469.db2.gz NCNZBWOJVTVSIL-JMJZKYOTSA-N -1 0 311.338 -0.367 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[C@H](CNC(=O)[O-])C2)O1 ZINC000831174784 604417499 /nfs/dbraw/zinc/41/74/99/604417499.db2.gz ZLYIKWONDLESFW-BBBLOLIVSA-N -1 0 314.342 -0.682 20 0 DBADRM C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000827747851 604418576 /nfs/dbraw/zinc/41/85/76/604418576.db2.gz VBXXNZMABJHFHG-LDYMZIIASA-N -1 0 317.367 -0.290 20 0 DBADRM NS(=O)(=O)c1cccc(NC(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000831260721 604421428 /nfs/dbraw/zinc/42/14/28/604421428.db2.gz RIDIDPYAZDBSBQ-UHFFFAOYSA-N -1 0 314.323 -0.182 20 0 DBADRM C[C@@H](NC(=O)NCCSCC(=O)[O-])[C@@H]1CN(C)CCO1 ZINC000827665684 604426193 /nfs/dbraw/zinc/42/61/93/604426193.db2.gz UVIWJEHBLKOWNV-ZJUUUORDSA-N -1 0 305.400 -0.178 20 0 DBADRM O=C([O-])NC1(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000832180814 604428197 /nfs/dbraw/zinc/42/81/97/604428197.db2.gz PZPAETYOBWKYTI-UHFFFAOYSA-N -1 0 319.321 -0.244 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C2(NC(=O)[O-])CC2)C1 ZINC000829688569 604429283 /nfs/dbraw/zinc/42/92/83/604429283.db2.gz SYHXPDPUWJHTBO-VIFPVBQESA-N -1 0 319.383 -0.426 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)c1cc[nH]c(=O)c1 ZINC000828096202 604439096 /nfs/dbraw/zinc/43/90/96/604439096.db2.gz ZUNRNZGKMZTKQC-UHFFFAOYSA-N -1 0 322.321 -0.319 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CN(C)S(C)(=O)=O ZINC000827001092 604439170 /nfs/dbraw/zinc/43/91/70/604439170.db2.gz LIONZIYACFQXIK-SECBINFHSA-N -1 0 310.372 -0.786 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CN1C(=O)CN(C)C1=O ZINC000827001970 604443463 /nfs/dbraw/zinc/44/34/63/604443463.db2.gz TUPXYISVZIIFSO-VIFPVBQESA-N -1 0 315.326 -0.783 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000827475185 604443674 /nfs/dbraw/zinc/44/36/74/604443674.db2.gz GYNIEYPEZRUJLV-UHFFFAOYSA-N -1 0 305.356 -0.720 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(c2cncc(-n3cncn3)n2)CCO1 ZINC000825373158 604454407 /nfs/dbraw/zinc/45/44/07/604454407.db2.gz VPOBIRKAKDUHNK-NXEZZACHSA-N -1 0 319.325 -0.081 20 0 DBADRM C[C@H](CC(N)=O)Nc1ncnc(N[C@H](C)CC(N)=O)c1C(=O)[O-] ZINC000827397978 604459514 /nfs/dbraw/zinc/45/95/14/604459514.db2.gz PKOZVMQMXBVOKZ-RNFRBKRXSA-N -1 0 324.341 -0.474 20 0 DBADRM C[C@H]1COCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000399091455 604460530 /nfs/dbraw/zinc/46/05/30/604460530.db2.gz BJLKZLMKFPKTHY-SNVBAGLBSA-N -1 0 306.384 -0.004 20 0 DBADRM Cn1cc(CN2CCN(C(=O)C3(NC(=O)[O-])CC3)CC2)cn1 ZINC000831004558 604464130 /nfs/dbraw/zinc/46/41/30/604464130.db2.gz NFNVCYBGYBWEPF-UHFFFAOYSA-N -1 0 307.354 -0.136 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)C3(NC(=O)[O-])CC3)C2=O)cn1 ZINC000831004702 604466344 /nfs/dbraw/zinc/46/63/44/604466344.db2.gz QUDFEHHQBUDCDQ-SECBINFHSA-N -1 0 307.310 -0.558 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C2(NC(=O)[O-])CC2)C(=O)N1c1cnn(C)c1 ZINC000825788266 604476651 /nfs/dbraw/zinc/47/66/51/604476651.db2.gz HNBJMAKBBLVTLE-PSASIEDQSA-N -1 0 321.337 -0.170 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCOC[C@@H]1CCO)C(=O)[O-] ZINC000833477592 604478703 /nfs/dbraw/zinc/47/87/03/604478703.db2.gz KTBYJPOIRUGVDP-NWDGAFQWSA-N -1 0 302.371 -0.315 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C2(NC(=O)[O-])CC2)C1=O ZINC000828444860 604481414 /nfs/dbraw/zinc/48/14/14/604481414.db2.gz IQWWGKNKDULVFI-CLAHSXSESA-N -1 0 324.337 -0.377 20 0 DBADRM CCOCCS(=O)(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827405398 604490228 /nfs/dbraw/zinc/49/02/28/604490228.db2.gz OUTPNYZRDRJHMI-ZJUUUORDSA-N -1 0 310.372 -0.290 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828904875 604491421 /nfs/dbraw/zinc/49/14/21/604491421.db2.gz XTWLHJMZGOTGMK-IVZWLZJFSA-N -1 0 310.372 -0.292 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000828509912 604492671 /nfs/dbraw/zinc/49/26/71/604492671.db2.gz VYBFVLZHSLCTAN-NEPJUHHUSA-N -1 0 314.382 -0.028 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825359130 604495307 /nfs/dbraw/zinc/49/53/07/604495307.db2.gz JTKMIBGQUAAITF-VHSXEESVSA-N -1 0 309.388 -0.072 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cn(C)c(C)n1 ZINC000829984169 604498611 /nfs/dbraw/zinc/49/86/11/604498611.db2.gz HOGNRCVGYWPJNV-SECBINFHSA-N -1 0 305.356 -0.161 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833447254 604503045 /nfs/dbraw/zinc/50/30/45/604503045.db2.gz NZAVPNHLAVYQOJ-LLVKDONJSA-N -1 0 321.395 -0.116 20 0 DBADRM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC000833390102 604509223 /nfs/dbraw/zinc/50/92/23/604509223.db2.gz IQTFTEWTBWTGCC-GXSJLCMTSA-N -1 0 306.384 -0.163 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)NCCCN1C(=O)CNC1=O ZINC000833211060 604513607 /nfs/dbraw/zinc/51/36/07/604513607.db2.gz RKLDBDRZDPGDEX-VIFPVBQESA-N -1 0 312.326 -0.423 20 0 DBADRM Cc1nc(C)n(C[C@H]2CN(C(=O)C3(NC(=O)[O-])CC3)CCO2)n1 ZINC000830733984 604514092 /nfs/dbraw/zinc/51/40/92/604514092.db2.gz JUDIOEMTSORMAH-LLVKDONJSA-N -1 0 323.353 -0.077 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)N2CCN3C(=O)OC[C@@H]3C2)C1 ZINC000831894223 604522506 /nfs/dbraw/zinc/52/25/06/604522506.db2.gz GVZLVLQRSFBTPF-UFBFGSQYSA-N -1 0 301.274 -0.259 20 0 DBADRM Cn1cc([C@]2(C)CN(C(=O)NCCNC(=O)[O-])CCO2)cn1 ZINC000830995301 604545860 /nfs/dbraw/zinc/54/58/60/604545860.db2.gz YJKBSOGKFDPJGM-ZDUSSCGKSA-N -1 0 311.342 -0.055 20 0 DBADRM COCCN1CCN(C(=O)[C@H](NC(=O)[O-])C(C)C)CC1=O ZINC000833724457 604546721 /nfs/dbraw/zinc/54/67/21/604546721.db2.gz NNOUKSSZVHTZIS-LLVKDONJSA-N -1 0 301.343 -0.404 20 0 DBADRM CN(CCNC(=O)N1CCC(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000828321185 604547436 /nfs/dbraw/zinc/54/74/36/604547436.db2.gz JBNKMGJPBRFONS-UHFFFAOYSA-N -1 0 307.372 -0.185 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000261896133 604547695 /nfs/dbraw/zinc/54/76/95/604547695.db2.gz WARFVUGKELETPX-SNVBAGLBSA-N -1 0 322.383 -0.735 20 0 DBADRM CCN(CCNC(=O)N1C[C@@H]2[C@H](C1)OCCN2C)C(=O)[O-] ZINC000827142179 604548619 /nfs/dbraw/zinc/54/86/19/604548619.db2.gz XXLMNIAQDWIDPM-MNOVXSKESA-N -1 0 300.359 -0.289 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)N2CCO[C@@H](CO)C2)c1 ZINC000833150459 604551008 /nfs/dbraw/zinc/55/10/08/604551008.db2.gz GFVBOPXELNRNQX-MRVPVSSYSA-N -1 0 314.319 -0.396 20 0 DBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NC[C@@H](C)O)c1 ZINC000833715377 604552264 /nfs/dbraw/zinc/55/22/64/604552264.db2.gz SLYAYENDVGRVNR-SSDOTTSWSA-N -1 0 317.319 -0.170 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCC[S@](C)=O)CCO1 ZINC000825318871 604553253 /nfs/dbraw/zinc/55/32/53/604553253.db2.gz QFOVPGWYXMYFLV-FRUKKLPWSA-N -1 0 307.372 -0.569 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)N[C@@H]2CCN(C)C2=O)CCO1 ZINC000825308300 604554033 /nfs/dbraw/zinc/55/40/33/604554033.db2.gz DOXOAQLUZQHUQO-AEJSXWLSSA-N -1 0 314.342 -0.716 20 0 DBADRM C[C@@H](NC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1)C(=O)N(C)C ZINC000825317359 604559769 /nfs/dbraw/zinc/55/97/69/604559769.db2.gz FINLJHTZLXMRGS-IVZWLZJFSA-N -1 0 316.358 -0.470 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(C)C2)CCO1 ZINC000825309044 604561193 /nfs/dbraw/zinc/56/11/93/604561193.db2.gz INJZEIAWBIWUPP-GUBZILKMSA-N -1 0 314.342 -0.716 20 0 DBADRM CNC(=O)CCCNC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000828537415 604562167 /nfs/dbraw/zinc/56/21/67/604562167.db2.gz DTBFCXJOFZKAKP-UWVGGRQHSA-N -1 0 316.358 -0.421 20 0 DBADRM COCCN1CCN(C(=O)NCCSCC(=O)[O-])CC1=O ZINC000833724053 604562673 /nfs/dbraw/zinc/56/26/73/604562673.db2.gz FCXUJBADLFMNAE-UHFFFAOYSA-N -1 0 319.383 -0.696 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000042144741 604569736 /nfs/dbraw/zinc/56/97/36/604569736.db2.gz OVHFECDPSIVCMK-NXEZZACHSA-N -1 0 304.368 -0.124 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000740335041 604573741 /nfs/dbraw/zinc/57/37/41/604573741.db2.gz FNFJOXXLGLYDKB-SNVBAGLBSA-N -1 0 320.305 -0.408 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000829683635 604576926 /nfs/dbraw/zinc/57/69/26/604576926.db2.gz WWNNRLRDIIXAKK-QMMMGPOBSA-N -1 0 320.371 -0.928 20 0 DBADRM Cn1cc(/C=C/C(=O)N2CCC[C@H]2CC(=O)[O-])c(=O)n(C)c1=O ZINC000833043576 604580220 /nfs/dbraw/zinc/58/02/20/604580220.db2.gz CRXJSLJHWSRJPN-QRGHLMKCSA-N -1 0 321.333 -0.437 20 0 DBADRM CC1(C)COCCN1CCNC(=O)NC1CN(C(=O)[O-])C1 ZINC000825734023 604582651 /nfs/dbraw/zinc/58/26/51/604582651.db2.gz JKANGKGBZRSBGF-UHFFFAOYSA-N -1 0 300.359 -0.241 20 0 DBADRM C[C@@H](NC(=O)NC1CN(C(=O)[O-])C1)[C@@H](C)N1CCOCC1 ZINC000825160506 604584285 /nfs/dbraw/zinc/58/42/85/604584285.db2.gz BPFDBTCGJYJWMO-NXEZZACHSA-N -1 0 300.359 -0.243 20 0 DBADRM CC(=O)N1CCCC[C@H]1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000833390599 604585982 /nfs/dbraw/zinc/58/59/82/604585982.db2.gz AIGSFONYMZYDHF-SCZZXKLOSA-N -1 0 300.311 -0.480 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NCCC(=O)[O-] ZINC000833394255 604586105 /nfs/dbraw/zinc/58/61/05/604586105.db2.gz OXCCDOXXSBEFIT-SNVBAGLBSA-N -1 0 300.311 -0.479 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000827243205 604587365 /nfs/dbraw/zinc/58/73/65/604587365.db2.gz WOGMOGYIVFXQNH-LPEHRKFASA-N -1 0 314.342 -0.980 20 0 DBADRM CN(CC(C)(CO)CO)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000833692353 604595386 /nfs/dbraw/zinc/59/53/86/604595386.db2.gz PMHWGZZDGZSCRZ-UHFFFAOYSA-N -1 0 317.363 -0.004 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)NC[C@H](C)O)ccc1C(=O)[O-] ZINC000833712888 604596813 /nfs/dbraw/zinc/59/68/13/604596813.db2.gz KAVGSHRJOUFDAM-ZETCQYMHSA-N -1 0 324.289 -0.393 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739191218 604598176 /nfs/dbraw/zinc/59/81/76/604598176.db2.gz RSJYBLSJBPROOI-WDEREUQCSA-N -1 0 300.359 -0.241 20 0 DBADRM CCS(=O)(=O)NCC(=O)OCC(=O)c1cc(C(=O)[O-])co1 ZINC000830130761 604601827 /nfs/dbraw/zinc/60/18/27/604601827.db2.gz LZLWUXKMZNVCRT-UHFFFAOYSA-N -1 0 319.291 -0.357 20 0 DBADRM Cn1cc(CN2CCN(C(=O)NC3CN(C(=O)[O-])C3)CC2)cn1 ZINC000831005225 604622344 /nfs/dbraw/zinc/62/23/44/604622344.db2.gz XZGLQWXZGNZUCE-UHFFFAOYSA-N -1 0 322.369 -0.391 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)NC2CN(C(=O)[O-])C2)CCO1 ZINC000828664135 604622696 /nfs/dbraw/zinc/62/26/96/604622696.db2.gz WDRAODJEDUTGJJ-VIFPVBQESA-N -1 0 301.299 -0.678 20 0 DBADRM COC(=O)CCNC(=O)CN1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828675860 604623110 /nfs/dbraw/zinc/62/31/10/604623110.db2.gz RGYYYSFFNOENBS-ZJUUUORDSA-N -1 0 317.342 -0.977 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC000818028850 604624653 /nfs/dbraw/zinc/62/46/53/604624653.db2.gz CYWNVCUIHLJCKA-GARJFASQSA-N -1 0 301.343 -0.800 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1 ZINC000825350170 604636351 /nfs/dbraw/zinc/63/63/51/604636351.db2.gz HGCXJSQNLFIHID-AVGNSLFASA-N -1 0 317.386 -0.964 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C[C@@H](O)CN2CCCC2=O)CCO1 ZINC000825350754 604636369 /nfs/dbraw/zinc/63/63/69/604636369.db2.gz KWQLSZYCBOEPOT-QJPTWQEYSA-N -1 0 315.370 -0.673 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000832051316 604653477 /nfs/dbraw/zinc/65/34/77/604653477.db2.gz VBXJTUUSAWWPDA-NSHDSACASA-N -1 0 311.338 -0.554 20 0 DBADRM CC(=O)N1CCC(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823550316 604655873 /nfs/dbraw/zinc/65/58/73/604655873.db2.gz PJSXKLGVPWQYLR-GFCCVEGCSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)N[C@@H]1CCS(=O)(=O)C1 ZINC000831383115 604658788 /nfs/dbraw/zinc/65/87/88/604658788.db2.gz TZRZOTMYJUKGEK-RKDXNWHRSA-N -1 0 306.340 -0.941 20 0 DBADRM CN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000827745256 604659499 /nfs/dbraw/zinc/65/94/99/604659499.db2.gz IJORRRWWQBGFCS-BDAKNGLRSA-N -1 0 306.340 -0.989 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])cn1 ZINC000831801099 604663689 /nfs/dbraw/zinc/66/36/89/604663689.db2.gz XYFDYMNTKYTSMV-LLVKDONJSA-N -1 0 324.337 -0.066 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CCN2CCCC2=O)CCO1 ZINC000825299709 604665421 /nfs/dbraw/zinc/66/54/21/604665421.db2.gz BAKCYRUHELROCV-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CCN2CCCC2=O)CCO1 ZINC000825299714 604665426 /nfs/dbraw/zinc/66/54/26/604665426.db2.gz BAKCYRUHELROCV-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN2CCCNC2=O)CCO1 ZINC000825303251 604670810 /nfs/dbraw/zinc/67/08/10/604670810.db2.gz UTCVUGVBCVORAL-ZJUUUORDSA-N -1 0 314.342 -0.715 20 0 DBADRM CNC(=O)C1(C(=O)O[C@H](C)c2cn(CC(=O)[O-])nn2)CCC1 ZINC000830978883 604684654 /nfs/dbraw/zinc/68/46/54/604684654.db2.gz MDXKIHOWMLBVBT-MRVPVSSYSA-N -1 0 310.310 -0.117 20 0 DBADRM CC(C)CN(CC(N)=O)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833487330 604690052 /nfs/dbraw/zinc/69/00/52/604690052.db2.gz AFRWINCVXNMZKK-UHFFFAOYSA-N -1 0 315.351 -0.088 20 0 DBADRM C[C@H](OC(=O)c1c[nH]c(C(N)=O)c1)c1cn(CC(=O)[O-])nn1 ZINC000827845300 604690827 /nfs/dbraw/zinc/69/08/27/604690827.db2.gz WVOXNWWJYJLTLY-LURJTMIESA-N -1 0 307.266 -0.292 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCC3(C2)OCCO3)cn1 ZINC000833781566 604693856 /nfs/dbraw/zinc/69/38/56/604693856.db2.gz IHVTZGKVBCREBF-UHFFFAOYSA-N -1 0 314.319 -0.083 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000832050187 604696751 /nfs/dbraw/zinc/69/67/51/604696751.db2.gz NPGOVHCLMZHVKC-LLVKDONJSA-N -1 0 321.337 -0.496 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826944887 604697256 /nfs/dbraw/zinc/69/72/56/604697256.db2.gz LPMZMFVSKZKHCI-NXEZZACHSA-N -1 0 322.383 -0.305 20 0 DBADRM COCCOCCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829002222 604697341 /nfs/dbraw/zinc/69/73/41/604697341.db2.gz ORXFBBMGSUXUFW-MNOVXSKESA-N -1 0 304.343 -0.077 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@@H]2CSC(=O)N2)CCO1 ZINC000825294877 604697876 /nfs/dbraw/zinc/69/78/76/604697876.db2.gz PKDUQDSAHVTMFC-BIIVOSGPSA-N -1 0 303.340 -0.305 20 0 DBADRM Cn1cnnc1C1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831047093 604698390 /nfs/dbraw/zinc/69/83/90/604698390.db2.gz ZLZIHNLNWPBXPO-LLVKDONJSA-N -1 0 323.353 -0.100 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)Cn2ccccc2=O)nn1 ZINC000833272380 604698875 /nfs/dbraw/zinc/69/88/75/604698875.db2.gz PFMQACAPNMXGDN-UHFFFAOYSA-N -1 0 306.278 -0.690 20 0 DBADRM Cc1nc(C(=O)N[C@H](CO)C(=O)[O-])nn1-c1ccc(F)cc1 ZINC000832995253 604699865 /nfs/dbraw/zinc/69/98/65/604699865.db2.gz WIZSUXSZWYTBQR-SNVBAGLBSA-N -1 0 308.269 -0.110 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)[C@H]2CC(=O)N(C3CC3)C2)nn1 ZINC000833270131 604704875 /nfs/dbraw/zinc/70/48/75/604704875.db2.gz LJZGEQHGGCMCSQ-VIFPVBQESA-N -1 0 322.321 -0.541 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831046895 604705026 /nfs/dbraw/zinc/70/50/26/604705026.db2.gz WMQIWFPODGRMOK-MNOVXSKESA-N -1 0 323.353 -0.100 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)OCCc2cn(CC(=O)[O-])nn2)C1 ZINC000825834443 604705356 /nfs/dbraw/zinc/70/53/56/604705356.db2.gz QONQOEJIKUHCIB-NSHDSACASA-N -1 0 324.337 -0.293 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)CCO1 ZINC000825295396 604709786 /nfs/dbraw/zinc/70/97/86/604709786.db2.gz UPMLGALFWOVOGA-RKDXNWHRSA-N -1 0 322.383 -0.307 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000831688585 604711109 /nfs/dbraw/zinc/71/11/09/604711109.db2.gz DPACEMBYTUIDOG-LLVKDONJSA-N -1 0 322.321 -0.694 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCCn2cncn2)CCO1 ZINC000825302184 604712757 /nfs/dbraw/zinc/71/27/57/604712757.db2.gz NWSGZLANGQQSEX-MNOVXSKESA-N -1 0 311.342 -0.058 20 0 DBADRM CN([C@H]1CCNC1=O)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000833692390 604714270 /nfs/dbraw/zinc/71/42/70/604714270.db2.gz WDBHEAOCWJTRLM-QMMMGPOBSA-N -1 0 301.324 -0.768 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)Cc1nc2ncccn2n1 ZINC000829961964 604715680 /nfs/dbraw/zinc/71/56/80/604715680.db2.gz WYRUUWYOSVMJEW-SECBINFHSA-N -1 0 307.310 -0.385 20 0 DBADRM NC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831208970 604717489 /nfs/dbraw/zinc/71/74/89/604717489.db2.gz XXCIVRBIOBSIIR-UWVGGRQHSA-N -1 0 314.342 -0.728 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)Cn1c(C)cc(O)cc1=O ZINC000829960316 604719328 /nfs/dbraw/zinc/71/93/28/604719328.db2.gz FPQMKTCXKMWXPF-LLVKDONJSA-N -1 0 312.322 -0.190 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CSCC(N)=O)CCO1 ZINC000825301031 604722389 /nfs/dbraw/zinc/72/23/89/604722389.db2.gz HIUAFXFQTSCHOH-YUMQZZPRSA-N -1 0 305.356 -0.912 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CSCC(N)=O)CCO1 ZINC000825301030 604722428 /nfs/dbraw/zinc/72/24/28/604722428.db2.gz HIUAFXFQTSCHOH-SFYZADRCSA-N -1 0 305.356 -0.912 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000825301108 604726162 /nfs/dbraw/zinc/72/61/62/604726162.db2.gz IFQCFKJXBPUBNX-NXEZZACHSA-N -1 0 322.383 -0.307 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CCCS(C)(=O)=O)CCO1 ZINC000825303920 604727572 /nfs/dbraw/zinc/72/75/72/604727572.db2.gz XPCVQHOAOXHICU-VHSXEESVSA-N -1 0 322.383 -0.305 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC(O)(C(=O)[O-])CC1 ZINC000833403818 604728391 /nfs/dbraw/zinc/72/83/91/604728391.db2.gz CRUKBSIPQLNPDP-MNOVXSKESA-N -1 0 300.355 -0.418 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)Cn2ccccc2=O)CCO1 ZINC000825310935 604729790 /nfs/dbraw/zinc/72/97/90/604729790.db2.gz QYGHMWAOUQNHSM-MNOVXSKESA-N -1 0 309.322 -0.268 20 0 DBADRM CCN1C[C@H](C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)CC1=O ZINC000827198691 604730455 /nfs/dbraw/zinc/73/04/55/604730455.db2.gz JWGKYGZGEACOBI-HBNTYKKESA-N -1 0 313.354 -0.262 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)Cn1cc([C@H](C)O)nn1 ZINC000829960600 604730900 /nfs/dbraw/zinc/73/09/00/604730900.db2.gz JTUVDDOQDUEGSU-WCBMZHEXSA-N -1 0 300.315 -0.721 20 0 DBADRM COCCCN(CCOC)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828950696 604732759 /nfs/dbraw/zinc/73/27/59/604732759.db2.gz PPPBGOYSAZFPBX-NSHDSACASA-N -1 0 304.343 -0.123 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000829941257 604733703 /nfs/dbraw/zinc/73/37/03/604733703.db2.gz YVJSBQMXCOFSRM-ZJUUUORDSA-N -1 0 301.343 -0.275 20 0 DBADRM CCNC(=O)CN(CC)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827242568 604734272 /nfs/dbraw/zinc/73/42/72/604734272.db2.gz RMGHTQITCLQMOR-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN2CSCC2=O)CCO1 ZINC000825302565 604734972 /nfs/dbraw/zinc/73/49/72/604734972.db2.gz RFERBAICZXDDGD-BDAKNGLRSA-N -1 0 317.367 -0.597 20 0 DBADRM NC(=O)Cc1csc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)n1 ZINC000831200059 604736437 /nfs/dbraw/zinc/73/64/37/604736437.db2.gz RHAMMQSJSUTNPC-ZETCQYMHSA-N -1 0 314.323 -0.512 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1nnc2n1CCC2 ZINC000825096095 604741465 /nfs/dbraw/zinc/74/14/65/604741465.db2.gz YXEIVJSKEOTUOQ-IUCAKERBSA-N -1 0 309.326 -0.220 20 0 DBADRM O=C([O-])N1CC(NC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000740389951 604745763 /nfs/dbraw/zinc/74/57/63/604745763.db2.gz GPXZNRVQOXYDGR-UHFFFAOYSA-N -1 0 303.278 -0.730 20 0 DBADRM COC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828630548 604746018 /nfs/dbraw/zinc/74/60/18/604746018.db2.gz IRZBMSAJSZJCKY-VHSXEESVSA-N -1 0 300.311 -0.081 20 0 DBADRM O=C([O-])N1CC(NC(=O)CCc2nc(-c3ncccn3)no2)C1 ZINC000740363863 604748956 /nfs/dbraw/zinc/74/89/56/604748956.db2.gz SGBNMPJHNIBMRP-UHFFFAOYSA-N -1 0 318.293 -0.062 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000830017256 604749714 /nfs/dbraw/zinc/74/97/14/604749714.db2.gz JLHMNAJNYVIYCV-SNVBAGLBSA-N -1 0 322.383 -0.592 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000833392631 604750757 /nfs/dbraw/zinc/75/07/57/604750757.db2.gz XCUGVELCZOTWJH-VIFPVBQESA-N -1 0 302.352 -0.654 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)NCCNc2cnccn2)C1 ZINC000831383453 604751645 /nfs/dbraw/zinc/75/16/45/604751645.db2.gz VEHMEAFNOAGFBM-JTQLQIEISA-N -1 0 309.326 -0.226 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)NC(C)(C)C ZINC000825095204 604752264 /nfs/dbraw/zinc/75/22/64/604752264.db2.gz VHHOJNBAGLQOFL-IUCAKERBSA-N -1 0 301.343 -0.215 20 0 DBADRM CCCN(C)S(=O)(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826892804 604768659 /nfs/dbraw/zinc/76/86/59/604768659.db2.gz KQJOAIRBSUMPTM-ZJUUUORDSA-N -1 0 309.388 -0.070 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CCS(C)(=O)=O)CCO1 ZINC000825301337 604772362 /nfs/dbraw/zinc/77/23/62/604772362.db2.gz IRIHHYDLYAEEAX-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(c1ccc(C(=O)NCCO)nn1)CC2 ZINC000833141451 604775080 /nfs/dbraw/zinc/77/50/80/604775080.db2.gz WSXQXPBKRBKZDZ-JTQLQIEISA-N -1 0 320.349 -0.110 20 0 DBADRM O=C([O-])N1CC(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000740402981 604777527 /nfs/dbraw/zinc/77/75/27/604777527.db2.gz FMJMCPQGDABRHL-RQJHMYQMSA-N -1 0 309.244 -0.078 20 0 DBADRM O=C([O-])Cn1cc(CCN2C(=O)NC3(CCCC3)C2=O)nn1 ZINC000833269480 604778779 /nfs/dbraw/zinc/77/87/79/604778779.db2.gz DFLVSWNGLFPOOI-UHFFFAOYSA-N -1 0 307.310 -0.230 20 0 DBADRM O=C([O-])Cn1cc(CCn2c(=O)onc2-c2ccccn2)nn1 ZINC000833273490 604789814 /nfs/dbraw/zinc/78/98/14/604789814.db2.gz RKFPPMANAZNDJY-UHFFFAOYSA-N -1 0 316.277 -0.183 20 0 DBADRM C[C@@H]1CN(CCNC(=O)[C@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000826059226 604802734 /nfs/dbraw/zinc/80/27/34/604802734.db2.gz RYIFBGLJCGQXSG-GHMZBOCLSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@@H]1OCC[C@@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000833634536 604805390 /nfs/dbraw/zinc/80/53/90/604805390.db2.gz MXGFRSNIUNRALN-RYUDHWBXSA-N -1 0 300.355 -0.343 20 0 DBADRM CCNC(=O)C(C)(C)CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000829786138 604810562 /nfs/dbraw/zinc/81/05/62/604810562.db2.gz INZILZYVYSOOEC-UHFFFAOYSA-N -1 0 309.388 -0.610 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCC(=O)Nc2ccccn2)C1 ZINC000831431780 604810877 /nfs/dbraw/zinc/81/08/77/604810877.db2.gz BXZUWQSEOBASPJ-JTQLQIEISA-N -1 0 322.321 -0.095 20 0 DBADRM NC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000831208006 604811075 /nfs/dbraw/zinc/81/10/75/604811075.db2.gz IHEBYOCEZLODNA-VHSXEESVSA-N -1 0 314.342 -0.585 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1coc(S(N)(=O)=O)c1 ZINC000833721315 604812617 /nfs/dbraw/zinc/81/26/17/604812617.db2.gz AMZVKXLYWLAWLK-LLVKDONJSA-N -1 0 320.323 -0.463 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2cnc3c(c2)NC(=O)CO3)CCOC1 ZINC000833786151 604815737 /nfs/dbraw/zinc/81/57/37/604815737.db2.gz RJJACYFSTFACLL-CYBMUJFWSA-N -1 0 307.262 -0.614 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)n1 ZINC000828700833 604821931 /nfs/dbraw/zinc/82/19/31/604821931.db2.gz ZTKNVJAKRCUXDF-QMMMGPOBSA-N -1 0 312.282 -0.627 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000827248442 604822975 /nfs/dbraw/zinc/82/29/75/604822975.db2.gz AWWSNWUJKGEAAC-NXEZZACHSA-N -1 0 313.358 -0.158 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000833179050 604830680 /nfs/dbraw/zinc/83/06/80/604830680.db2.gz LHMFHCXVZPQTLY-UWVGGRQHSA-N -1 0 313.335 -0.803 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000830979457 604833248 /nfs/dbraw/zinc/83/32/48/604833248.db2.gz YBXNOJNFABRZGX-LURJTMIESA-N -1 0 301.328 -0.901 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000826093484 604833827 /nfs/dbraw/zinc/83/38/27/604833827.db2.gz FMLMNKFMWSXRKI-GHMZBOCLSA-N -1 0 301.343 -0.798 20 0 DBADRM CCN1C(=S)N=NC1CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827693637 604833836 /nfs/dbraw/zinc/83/38/36/604833836.db2.gz IEAXEZNZMNGMHQ-ZETCQYMHSA-N -1 0 315.355 -0.418 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000826093487 604834018 /nfs/dbraw/zinc/83/40/18/604834018.db2.gz FMLMNKFMWSXRKI-WDEREUQCSA-N -1 0 301.343 -0.798 20 0 DBADRM CN(CC(=O)OCCc1cn(CC(=O)[O-])nn1)c1ncccn1 ZINC000830702497 604835249 /nfs/dbraw/zinc/83/52/49/604835249.db2.gz WMSZTISMAJNHSJ-UHFFFAOYSA-N -1 0 320.309 -0.625 20 0 DBADRM CCc1nnc2n1CCN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C2 ZINC000827656102 604840883 /nfs/dbraw/zinc/84/08/83/604840883.db2.gz OTBISIRLHLJBNQ-SNVBAGLBSA-N -1 0 323.353 -0.048 20 0 DBADRM CC[C@@H](O)CN1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000826626619 604842508 /nfs/dbraw/zinc/84/25/08/604842508.db2.gz WTLALYASJJBITP-VXGBXAGGSA-N -1 0 315.370 -0.720 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCc1nncn1C1CC1 ZINC000831387717 604842828 /nfs/dbraw/zinc/84/28/28/604842828.db2.gz ONOFVOSTLJPQNV-JTQLQIEISA-N -1 0 309.326 -0.002 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000833555256 604847581 /nfs/dbraw/zinc/84/75/81/604847581.db2.gz VAWAGRQIXDTSCL-LBPRGKRZSA-N -1 0 315.351 -0.607 20 0 DBADRM COC(=O)CNC(=O)COC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000831180474 604847636 /nfs/dbraw/zinc/84/76/36/604847636.db2.gz UPKSXWWDEQGYHA-UHFFFAOYSA-N -1 0 312.278 -0.224 20 0 DBADRM COC(=O)CCSCCNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828675193 604858934 /nfs/dbraw/zinc/85/89/34/604858934.db2.gz LMOBLPDKCIHDBT-VIFPVBQESA-N -1 0 320.367 -0.222 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000824357313 604859035 /nfs/dbraw/zinc/85/90/35/604859035.db2.gz PDASGJDHFNVLHN-GHMZBOCLSA-N -1 0 313.354 -0.119 20 0 DBADRM CCN1CCO[C@H](CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000827226895 604861360 /nfs/dbraw/zinc/86/13/60/604861360.db2.gz AWAYMNVBYBGINI-GHMZBOCLSA-N -1 0 301.343 -0.798 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000827226897 604861616 /nfs/dbraw/zinc/86/16/16/604861616.db2.gz AWAYMNVBYBGINI-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM COc1ncc(NC(=O)NCCN(C)C(=O)[O-])cc1C(N)=O ZINC000829665507 604862598 /nfs/dbraw/zinc/86/25/98/604862598.db2.gz USBKWIKWPUGOLE-UHFFFAOYSA-N -1 0 311.298 -0.080 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)c1cnccc1C(=O)[O-] ZINC000831175378 604867919 /nfs/dbraw/zinc/86/79/19/604867919.db2.gz LPGLXMZOHUXEPA-ZETCQYMHSA-N -1 0 310.262 -0.386 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)c1cnccc1C(=O)[O-] ZINC000830136667 604873687 /nfs/dbraw/zinc/87/36/87/604873687.db2.gz DRQGPXZBUGKISO-UHFFFAOYSA-N -1 0 302.308 -0.124 20 0 DBADRM CC(=O)NCCNC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000823580463 604874690 /nfs/dbraw/zinc/87/46/90/604874690.db2.gz SPMGIWMPKJQBTK-WPRPVWTQSA-N -1 0 316.358 -0.075 20 0 DBADRM CCNC(=O)CNC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000827242036 604875376 /nfs/dbraw/zinc/87/53/76/604875376.db2.gz HRCSWDHWYLOHGU-BDAKNGLRSA-N -1 0 316.358 -0.075 20 0 DBADRM Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000830799314 604891620 /nfs/dbraw/zinc/89/16/20/604891620.db2.gz MQGWPABDEYEZNK-UWVGGRQHSA-N -1 0 309.326 -0.084 20 0 DBADRM CC[S@](=O)CCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833667202 604892823 /nfs/dbraw/zinc/89/28/23/604892823.db2.gz HFSHDUYWISRUBO-FVINQWEUSA-N -1 0 306.384 -0.378 20 0 DBADRM C[C@]1(NC(=O)Nc2ccn(CC(=O)[O-])n2)CCS(=O)(=O)C1 ZINC000828110553 604894557 /nfs/dbraw/zinc/89/45/57/604894557.db2.gz IIKASTWSFKXZHB-NSHDSACASA-N -1 0 316.339 -0.334 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C[C@@H]1C ZINC000828638728 604894651 /nfs/dbraw/zinc/89/46/51/604894651.db2.gz CNKIMYLFNWLRAT-IVZWLZJFSA-N -1 0 300.311 -0.367 20 0 DBADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1CCc1cn(CC(=O)[O-])nn1 ZINC000833589978 604896540 /nfs/dbraw/zinc/89/65/40/604896540.db2.gz XXOZYHSMPLMCQN-ODXZIHIVSA-N -1 0 300.384 -0.254 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@@H](O)COc1ccccc1 ZINC000831621640 604897558 /nfs/dbraw/zinc/89/75/58/604897558.db2.gz OPYLVJIOQZFWKD-DGCLKSJQSA-N -1 0 324.333 -0.079 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NC[C@H](O)COc1ccccc1 ZINC000831620258 604897608 /nfs/dbraw/zinc/89/76/08/604897608.db2.gz GJXVDYPRMKKYNF-GVXVVHGQSA-N -1 0 324.333 -0.344 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1CCc1cn(CC(=O)[O-])nn1 ZINC000833631945 604898358 /nfs/dbraw/zinc/89/83/58/604898358.db2.gz ROQKBDOTJGFOMS-SECBINFHSA-N -1 0 302.356 -0.976 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000825014924 604900381 /nfs/dbraw/zinc/90/03/81/604900381.db2.gz BMHRXJYVRYPYGD-ZJUUUORDSA-N -1 0 322.383 -0.353 20 0 DBADRM NC(=O)CN(Cc1ccccc1)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000831190444 604903597 /nfs/dbraw/zinc/90/35/97/604903597.db2.gz XDRQYDFNJSYPJA-GFCCVEGCSA-N -1 0 321.333 -0.121 20 0 DBADRM CC(=O)N[C@H](C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)C(C)C ZINC000833396226 604904086 /nfs/dbraw/zinc/90/40/86/604904086.db2.gz ZHLLPKIFDXGTNU-NWDGAFQWSA-N -1 0 300.355 -0.169 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)N[C@H]1CCc2ncnn2C1 ZINC000831383752 604904928 /nfs/dbraw/zinc/90/49/28/604904928.db2.gz WYDWQYLLHWRHDD-VHSXEESVSA-N -1 0 309.326 -0.522 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000823833217 604907031 /nfs/dbraw/zinc/90/70/31/604907031.db2.gz MBIRUIWFKFKVFU-VIFPVBQESA-N -1 0 322.383 -0.305 20 0 DBADRM CN(C[C@H]1CCN(C(=O)C(=O)Nc2cnn(C)c2)C1)C(=O)[O-] ZINC000828235249 604907292 /nfs/dbraw/zinc/90/72/92/604907292.db2.gz FVKKAUXJSWILOV-SECBINFHSA-N -1 0 309.326 -0.183 20 0 DBADRM COCCN(CC(=O)OC)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828980195 604910285 /nfs/dbraw/zinc/91/02/85/604910285.db2.gz WXJMXZWBSYIISF-SNVBAGLBSA-N -1 0 318.326 -0.597 20 0 DBADRM CC(C)C[C@H](O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824217531 604914830 /nfs/dbraw/zinc/91/48/30/604914830.db2.gz GGPXUQNIFXGAKC-JTQLQIEISA-N -1 0 301.343 -0.668 20 0 DBADRM COc1ncc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1C(N)=O ZINC000829659599 604922009 /nfs/dbraw/zinc/92/20/09/604922009.db2.gz DHFFMUNDTSXFJN-VXNVDRBHSA-N -1 0 324.293 -0.759 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000824809053 604926871 /nfs/dbraw/zinc/92/68/71/604926871.db2.gz DDSNWLJGHDPCCX-HLTSFMKQSA-N -1 0 308.356 -0.961 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(c2cncc(F)c2)CC1 ZINC000833404128 604929195 /nfs/dbraw/zinc/92/91/95/604929195.db2.gz HDCCLZYGWWSXHC-SNVBAGLBSA-N -1 0 310.329 -0.068 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCC[C@@H](O)C(F)(F)F)C1 ZINC000831659467 604939130 /nfs/dbraw/zinc/93/91/30/604939130.db2.gz ICTNQSVDSCSJRR-RNFRBKRXSA-N -1 0 300.233 -0.205 20 0 DBADRM CC(C)N1C(=O)N[C@]2(CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)C1=O ZINC000833499842 604940794 /nfs/dbraw/zinc/94/07/94/604940794.db2.gz IHEOXVMJFHIBSD-ITMYJUKJSA-N -1 0 309.322 -0.362 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCS1(=O)=O ZINC000825975822 604943869 /nfs/dbraw/zinc/94/38/69/604943869.db2.gz ROQDQPSBRBZOEL-IUCAKERBSA-N -1 0 306.340 -0.989 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN(c2nccn2C)CC1)C(=O)[O-] ZINC000833519103 604945066 /nfs/dbraw/zinc/94/50/66/604945066.db2.gz MISPPPTWZBORHQ-SNVBAGLBSA-N -1 0 316.383 -0.407 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826094300 604946630 /nfs/dbraw/zinc/94/66/30/604946630.db2.gz WEBSYJPCKNDBCT-NXEZZACHSA-N -1 0 320.367 -0.599 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828266225 604949223 /nfs/dbraw/zinc/94/92/23/604949223.db2.gz DPWMLTHSRSBNLG-UWVGGRQHSA-N -1 0 320.367 -0.742 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)CNC(=O)c1cccnc1)C1CC1 ZINC000832420435 604951465 /nfs/dbraw/zinc/95/14/65/604951465.db2.gz DBMIHWQXDDQYCB-NSHDSACASA-N -1 0 306.322 -0.026 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)OCC(=O)NC(=O)NC1CCCC1 ZINC000833740338 604960950 /nfs/dbraw/zinc/96/09/50/604960950.db2.gz ITXFWQNFDVNZOO-ZETCQYMHSA-N -1 0 301.299 -0.046 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)OCC(=O)NCC(=O)NC(C)(C)C ZINC000833740725 604962480 /nfs/dbraw/zinc/96/24/80/604962480.db2.gz RMGVSWHZMSVGBO-ZETCQYMHSA-N -1 0 303.315 -0.783 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@H](C)NC(=O)[O-])C1 ZINC000833396016 604963106 /nfs/dbraw/zinc/96/31/06/604963106.db2.gz MPEXJHNLIFSLFF-WCBMZHEXSA-N -1 0 315.326 -0.687 20 0 DBADRM COC(=O)[C@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)c1ccccn1 ZINC000828606483 604966596 /nfs/dbraw/zinc/96/65/96/604966596.db2.gz BGLHSVDQFIYHIY-GHMZBOCLSA-N -1 0 323.305 -0.209 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1=O ZINC000825858426 604969923 /nfs/dbraw/zinc/96/99/23/604969923.db2.gz BCJXGUVHYSECIT-CHWFTXMASA-N -1 0 311.338 -0.509 20 0 DBADRM CC(C)NC(=O)NC(=O)[C@H](C)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833503300 604980105 /nfs/dbraw/zinc/98/01/05/604980105.db2.gz TUOBVZBDGJGMOE-ONGXEEELSA-N -1 0 315.370 -0.233 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000833431332 604992341 /nfs/dbraw/zinc/99/23/41/604992341.db2.gz SOTGZCIBYUXKOB-ZCFIWIBFSA-N -1 0 316.326 -0.071 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N[C@H](CC(F)F)C(=O)[O-])C1=O ZINC000314230263 604995726 /nfs/dbraw/zinc/99/57/26/604995726.db2.gz WAYMNJSHMAJBKM-RXMQYKEDSA-N -1 0 307.253 -0.459 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000833460900 604995954 /nfs/dbraw/zinc/99/59/54/604995954.db2.gz NVOWFVACGYVQQK-RXMQYKEDSA-N -1 0 302.299 -0.461 20 0 DBADRM CC(=O)NCCCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000833397582 605015019 /nfs/dbraw/zinc/01/50/19/605015019.db2.gz UZUCOJRBPFUXIS-UHFFFAOYSA-N -1 0 304.328 -0.779 20 0 DBADRM CC(=O)NCCCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000833397497 605015096 /nfs/dbraw/zinc/01/50/96/605015096.db2.gz QGCNIKLDHNUMHC-UHFFFAOYSA-N -1 0 307.353 -0.354 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCSC[C@@H]1C(N)=O)C(=O)[O-] ZINC000833476799 605015249 /nfs/dbraw/zinc/01/52/49/605015249.db2.gz DNETZBHXBAPWQC-VHSXEESVSA-N -1 0 317.411 -0.495 20 0 DBADRM CC[C@H](OC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000833645692 605016487 /nfs/dbraw/zinc/01/64/87/605016487.db2.gz PQOIGSLBUHPBLC-ZETCQYMHSA-N -1 0 305.312 -0.895 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC000833421332 605025232 /nfs/dbraw/zinc/02/52/32/605025232.db2.gz ZDRUOGJPJAJMSD-ZJUUUORDSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(=O)[C@H]1CC(C(=O)NC[C@H](O)C(=O)[O-])=NN1c1ccccc1 ZINC000833387735 605025237 /nfs/dbraw/zinc/02/52/37/605025237.db2.gz KVRMOWWBWFUAMM-OLZOCXBDSA-N -1 0 319.317 -0.228 20 0 DBADRM CS(=O)(=O)Nc1cccc(C(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000833738149 605025641 /nfs/dbraw/zinc/02/56/41/605025641.db2.gz PRTBUUKBMNSAFA-VIFPVBQESA-N -1 0 302.308 -0.767 20 0 DBADRM CC(C)C[C@@H](O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000226059572 605032325 /nfs/dbraw/zinc/03/23/25/605032325.db2.gz LNEMLCVBIALWCJ-SECBINFHSA-N -1 0 305.356 -0.347 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H](O)COCC2CC2)c[nH]1 ZINC000833780485 605033412 /nfs/dbraw/zinc/03/34/12/605033412.db2.gz UPWGXCAINIUXII-VIFPVBQESA-N -1 0 318.351 -0.221 20 0 DBADRM O=C([O-])c1csc(S(=O)(=O)N(CCO)CCCO)c1 ZINC000385251066 605034351 /nfs/dbraw/zinc/03/43/51/605034351.db2.gz IMMCICZIIITYJW-UHFFFAOYSA-N -1 0 309.365 -0.188 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H](O)C2CCOCC2)c[nH]1 ZINC000833780622 605037016 /nfs/dbraw/zinc/03/70/16/605037016.db2.gz YKGWKMUACNLJGM-NSHDSACASA-N -1 0 318.351 -0.221 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC(OCCCO)CC1)C(=O)[O-] ZINC000833518900 605045980 /nfs/dbraw/zinc/04/59/80/605045980.db2.gz KXGQLUQHMUCLSM-JTQLQIEISA-N -1 0 309.384 -0.100 20 0 DBADRM C[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000833528596 605051034 /nfs/dbraw/zinc/05/10/34/605051034.db2.gz POUMNGUEKJZBCO-ZJUUUORDSA-N -1 0 317.367 -0.251 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)C1 ZINC000833553580 605055102 /nfs/dbraw/zinc/05/51/02/605055102.db2.gz FSMOSEQAOQKCET-LBPRGKRZSA-N -1 0 313.335 -0.334 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000833554479 605055246 /nfs/dbraw/zinc/05/52/46/605055246.db2.gz SZHLIRRIPDZISP-LLVKDONJSA-N -1 0 302.308 -0.136 20 0 DBADRM CN(C)C(=O)c1cc(S(=O)(=O)NC(C)(C)C(=O)[O-])cn1C ZINC000833687156 605055339 /nfs/dbraw/zinc/05/53/39/605055339.db2.gz JCVRSJOLGIAQTC-UHFFFAOYSA-N -1 0 317.367 -0.132 20 0 DBADRM Cc1[nH]c(C(=O)NCCCN2CCNC(=O)C2)c(C)c1C(=O)[O-] ZINC000833741140 605070946 /nfs/dbraw/zinc/07/09/46/605070946.db2.gz ZOBNFUNPHRYJLR-UHFFFAOYSA-N -1 0 322.365 -0.119 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000831903411 605075357 /nfs/dbraw/zinc/07/53/57/605075357.db2.gz XBQGCPXNTQDEAL-GZMMTYOYSA-N -1 0 308.331 -0.228 20 0 DBADRM NC(=O)COCCNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000833761546 605075655 /nfs/dbraw/zinc/07/56/55/605075655.db2.gz IXPBARHMIMYYKH-UHFFFAOYSA-N -1 0 302.308 -0.835 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)OCc1nc(CC(=O)NC)no1 ZINC000827547110 605083536 /nfs/dbraw/zinc/08/35/36/605083536.db2.gz ABMQCTMLZDTDDO-LURJTMIESA-N -1 0 300.271 -0.553 20 0 DBADRM COc1ccccc1N1C[C@H](C(=O)NC[C@H](O)C(=O)[O-])CC1=O ZINC000833736687 605087637 /nfs/dbraw/zinc/08/76/37/605087637.db2.gz UMRNFVJQLRWIDW-KOLCDFICSA-N -1 0 322.317 -0.390 20 0 DBADRM CC(=O)N(CCc1ccccc1)CC(=O)NC[C@H](O)C(=O)[O-] ZINC000833389085 605090016 /nfs/dbraw/zinc/09/00/16/605090016.db2.gz DGIGCSNAAOCTEC-ZDUSSCGKSA-N -1 0 308.334 -0.361 20 0 DBADRM C[C@H]1C(=O)Nc2cc(C(=O)NC[C@H](O)C(=O)[O-])ccc2N1C ZINC000833584980 605090776 /nfs/dbraw/zinc/09/07/76/605090776.db2.gz YCGCJUDOPADLIV-CPCISQLKSA-N -1 0 307.306 -0.361 20 0 DBADRM C[C@H]1CN(CCNC(=O)N2CC[C@H](NC(=O)[O-])C2)CCO1 ZINC000739184138 605098093 /nfs/dbraw/zinc/09/80/93/605098093.db2.gz VCGRZAWCWXHXDU-QWRGUYRKSA-N -1 0 300.359 -0.241 20 0 DBADRM C[C@@H](C(=O)NCC1(C(=O)[O-])CCOCC1)N1C(=O)CCC1=O ZINC000833404162 605101123 /nfs/dbraw/zinc/10/11/23/605101123.db2.gz IBUWQNTYGIIHSE-VIFPVBQESA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCS(=O)(=O)CC1CC1 ZINC000831700142 605121676 /nfs/dbraw/zinc/12/16/76/605121676.db2.gz VXTWFKWNCALBPR-SNVBAGLBSA-N -1 0 320.367 -0.694 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)CSc2nnnn2C2CC2)C1 ZINC000740585375 605129611 /nfs/dbraw/zinc/12/96/11/605129611.db2.gz DSRVFVOSVNWBAY-ZETCQYMHSA-N -1 0 312.355 -0.031 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CC[C@H](NC(=O)[O-])C2)n1C ZINC000830887496 605134833 /nfs/dbraw/zinc/13/48/33/605134833.db2.gz LZEDTMROMAZUAZ-JTQLQIEISA-N -1 0 310.358 -0.576 20 0 DBADRM C[C@H](CCNC(=O)CN1CCN(C(=O)[O-])CC1=O)[S@@](C)=O ZINC000824785021 605135793 /nfs/dbraw/zinc/13/57/93/605135793.db2.gz BQYYDAUPFYIFKJ-AOUSDQRYSA-N -1 0 319.383 -0.918 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000833480746 605138033 /nfs/dbraw/zinc/13/80/33/605138033.db2.gz SAXJMRQWGSPLPE-WDEREUQCSA-N -1 0 315.370 -0.280 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCN2C(=O)CC[C@H]2C1)C(=O)[O-] ZINC000833478882 605147213 /nfs/dbraw/zinc/14/72/13/605147213.db2.gz VXVRUDYOLAYAKD-RYUDHWBXSA-N -1 0 311.382 -0.092 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCN2C(=O)CC[C@@H]2C1)C(=O)[O-] ZINC000833478884 605147522 /nfs/dbraw/zinc/14/75/22/605147522.db2.gz VXVRUDYOLAYAKD-VXGBXAGGSA-N -1 0 311.382 -0.092 20 0 DBADRM CC(C)C[C@@H](CO)NC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000824203716 605157390 /nfs/dbraw/zinc/15/73/90/605157390.db2.gz KYYAMVFBZBPTGX-LBPRGKRZSA-N -1 0 316.402 -0.012 20 0 DBADRM CS[C@H](CO)[C@H](C)NC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000829710463 605160323 /nfs/dbraw/zinc/16/03/23/605160323.db2.gz NCBXSKKMNVYGHQ-GXSJLCMTSA-N -1 0 319.427 -0.053 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)c1cnn(C)c1 ZINC000833620536 605160936 /nfs/dbraw/zinc/16/09/36/605160936.db2.gz LCFOOZRTYHCGBR-JTQLQIEISA-N -1 0 308.338 -0.390 20 0 DBADRM NC(=O)C(NC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-])C(N)=O ZINC000831167786 605170652 /nfs/dbraw/zinc/17/06/52/605170652.db2.gz PQILUNCUZCQCRU-HTQZYQBOSA-N -1 0 314.342 -0.952 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CN1C[C@@H](C(=O)[O-])CC1=O ZINC000833588792 605172840 /nfs/dbraw/zinc/17/28/40/605172840.db2.gz RUHORKDEWZKHNY-BBBLOLIVSA-N -1 0 304.368 -0.616 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000390344838 605173908 /nfs/dbraw/zinc/17/39/08/605173908.db2.gz KPNUGUZXTQQRHV-UHFFFAOYSA-N -1 0 316.339 -0.159 20 0 DBADRM Cn1c(Cn2nnnc2CNC(=O)[O-])nc2ccccc2c1=O ZINC000830979136 605176162 /nfs/dbraw/zinc/17/61/62/605176162.db2.gz RYLOHHCVANLDDT-UHFFFAOYSA-N -1 0 315.293 -0.264 20 0 DBADRM O=C([O-])NCc1nnnn1CCNC(=O)OCC(F)(F)F ZINC000832744321 605176757 /nfs/dbraw/zinc/17/67/57/605176757.db2.gz JRKCYKTUQQFVKO-UHFFFAOYSA-N -1 0 312.208 -0.271 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000833520694 605178879 /nfs/dbraw/zinc/17/88/79/605178879.db2.gz VYVLBXBJEHCETI-VIFPVBQESA-N -1 0 315.413 -0.208 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000832375088 605187362 /nfs/dbraw/zinc/18/73/62/605187362.db2.gz CPEOBGZGKWPWBD-RKDXNWHRSA-N -1 0 305.356 -0.385 20 0 DBADRM CC(C)COC(=O)CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000833490068 605193224 /nfs/dbraw/zinc/19/32/24/605193224.db2.gz WTONVBZGNJSKET-UHFFFAOYSA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@@]1(O)CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000163090255 605197469 /nfs/dbraw/zinc/19/74/69/605197469.db2.gz RFARJZCXLWKRIW-LLVKDONJSA-N -1 0 303.340 -0.497 20 0 DBADRM C[C@]1(O)CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000163092988 605197801 /nfs/dbraw/zinc/19/78/01/605197801.db2.gz BRRABZXNIXUKGX-LBPRGKRZSA-N -1 0 306.384 -0.125 20 0 DBADRM CC(C)[C@@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)NC(N)=O ZINC000824149547 605198827 /nfs/dbraw/zinc/19/88/27/605198827.db2.gz HKFUXUWRGXHNGB-HTQZYQBOSA-N -1 0 317.298 -0.872 20 0 DBADRM C[C@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)[C@@H]1CN(C)CCO1 ZINC000825109158 605201389 /nfs/dbraw/zinc/20/13/89/605201389.db2.gz RSPBCWIYUYZCPR-TUAOUCFPSA-N -1 0 315.370 -0.409 20 0 DBADRM C[C@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)[C@@H]1CN(C)CCO1 ZINC000825094934 605201490 /nfs/dbraw/zinc/20/14/90/605201490.db2.gz VASNBNCNAZFWFV-GARJFASQSA-N -1 0 301.343 -0.800 20 0 DBADRM CC(=O)N1CCN(CCc2cn(CC(=O)[O-])nn2)C(C)(C)C1 ZINC000833391112 605202421 /nfs/dbraw/zinc/20/24/21/605202421.db2.gz NSZHFUJQINTSKN-UHFFFAOYSA-N -1 0 309.370 -0.152 20 0 DBADRM CCOCCNC(=O)COC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827404814 605210457 /nfs/dbraw/zinc/21/04/57/605210457.db2.gz ILKGCQMNBDJGLQ-SECBINFHSA-N -1 0 304.299 -0.939 20 0 DBADRM O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NCc1ccco1 ZINC000831498692 605216795 /nfs/dbraw/zinc/21/67/95/605216795.db2.gz OJPJSQUNKYYVFW-JTQLQIEISA-N -1 0 312.278 -0.182 20 0 DBADRM CNC(=O)NC(=O)[C@@H](C)OC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828551521 605223171 /nfs/dbraw/zinc/22/31/71/605223171.db2.gz BKXQIZIZZGEWQP-HTQZYQBOSA-N -1 0 317.298 -0.857 20 0 DBADRM C[C@H](NC(=O)[C@H]1COCCN1C(=O)[O-])[C@@H]1CN(C)CCO1 ZINC000825096136 605223196 /nfs/dbraw/zinc/22/31/96/605223196.db2.gz ZGWZUNFOMNHVBA-AXFHLTTASA-N -1 0 301.343 -0.800 20 0 DBADRM COC(=O)N1CC(NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000828704836 605229697 /nfs/dbraw/zinc/22/96/97/605229697.db2.gz OKLLVZHAGLDOGJ-QMMMGPOBSA-N -1 0 300.315 -0.121 20 0 DBADRM C[C@@H](NC(=O)N1CC[C@H](NC(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC000825150981 605232724 /nfs/dbraw/zinc/23/27/24/605232724.db2.gz ZLKBUJYRSXIAKS-OUAUKWLOSA-N -1 0 300.359 -0.243 20 0 DBADRM C[C@@H](CC(=O)NN1CC(=O)NC1=O)C1CCN(C(=O)[O-])CC1 ZINC000824672504 605243662 /nfs/dbraw/zinc/24/36/62/605243662.db2.gz XUGPBTPLSXLOMV-QMMMGPOBSA-N -1 0 312.326 -0.014 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(CCn2ccccc2=O)CC1 ZINC000833771561 605248391 /nfs/dbraw/zinc/24/83/91/605248391.db2.gz JBCICJCDWCRIMX-CHWSQXEVSA-N -1 0 319.361 -0.287 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(CCn2ccccc2=O)CC1 ZINC000833771564 605248570 /nfs/dbraw/zinc/24/85/70/605248570.db2.gz JBCICJCDWCRIMX-STQMWFEESA-N -1 0 319.361 -0.287 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)CCN1CCC(=O)[O-] ZINC000833618121 605253990 /nfs/dbraw/zinc/25/39/90/605253990.db2.gz KVJVKMBMSXNMQR-GHMZBOCLSA-N -1 0 318.395 -0.572 20 0 DBADRM CS(=O)(=O)CCCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000829673474 605269769 /nfs/dbraw/zinc/26/97/69/605269769.db2.gz JVPJCIWNVPNPQY-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM O=C([O-])N1CCN(CC(=O)OCC2(O)CCCC2)C(=O)C1 ZINC000831489617 605272188 /nfs/dbraw/zinc/27/21/88/605272188.db2.gz VBCXLKHGERNSGK-UHFFFAOYSA-N -1 0 300.311 -0.343 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])nn1 ZINC000833418113 605282961 /nfs/dbraw/zinc/28/29/61/605282961.db2.gz DOAJPMAEHHOLDC-SCZZXKLOSA-N -1 0 324.337 -0.447 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000314327534 605283154 /nfs/dbraw/zinc/28/31/54/605283154.db2.gz CPWRAZSITDZONM-SCZZXKLOSA-N -1 0 306.274 -0.323 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCCCNC(=O)[O-] ZINC000823760358 605285795 /nfs/dbraw/zinc/28/57/95/605285795.db2.gz RGWJSIJOOFGPRB-QMMMGPOBSA-N -1 0 309.388 -0.276 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCN([C@H]3CCOC3)CC2)C1 ZINC000832049336 605291583 /nfs/dbraw/zinc/29/15/83/605291583.db2.gz FGSBVFJYIHIXKH-NWDGAFQWSA-N -1 0 313.354 -0.702 20 0 DBADRM NC(=O)COCCNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000831189765 605292199 /nfs/dbraw/zinc/29/21/99/605292199.db2.gz FMJVSJODAPTIIQ-FGWVZKOKSA-N -1 0 313.354 -0.084 20 0 DBADRM CNC(=O)CCN(C)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000828538271 605293343 /nfs/dbraw/zinc/29/33/43/605293343.db2.gz UDYQWZGSIDPIRA-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM Cn1cnnc1CCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000831047019 605297114 /nfs/dbraw/zinc/29/71/14/605297114.db2.gz YDDHTCKLQQIFSE-SNVBAGLBSA-N -1 0 311.342 -0.367 20 0 DBADRM CC(C)OC[C@@H](O)CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O ZINC000824393415 605297196 /nfs/dbraw/zinc/29/71/96/605297196.db2.gz IVSZIAPGSKBQFK-ZANVPECISA-N -1 0 315.326 -0.553 20 0 DBADRM O=C(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)NCC1CC1 ZINC000393228760 605300921 /nfs/dbraw/zinc/30/09/21/605300921.db2.gz AKXMXXRDPAKGFC-UHFFFAOYSA-N -1 0 319.383 -0.856 20 0 DBADRM Cn1cc(NC(=O)CCOC2CN(C(=O)[O-])C2)cc1C(N)=O ZINC000833949909 605311670 /nfs/dbraw/zinc/31/16/70/605311670.db2.gz LREDZCDEHCYYHL-UHFFFAOYSA-N -1 0 310.310 -0.169 20 0 DBADRM O=C([O-])N1CC(OCCC(=O)N2CCC(OCCO)CC2)C1 ZINC000834073121 605312489 /nfs/dbraw/zinc/31/24/89/605312489.db2.gz KSEAOUNQPDMYOK-UHFFFAOYSA-N -1 0 316.354 -0.245 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCCN1C(=O)CNC1=O ZINC000824304814 605322550 /nfs/dbraw/zinc/32/25/50/605322550.db2.gz LGCYAFUVCLZVLC-QMMMGPOBSA-N -1 0 301.299 -0.236 20 0 DBADRM CC(C)CS(=O)(=O)N1CCC(NC(=O)CNC(=O)[O-])CC1 ZINC000833492029 605331515 /nfs/dbraw/zinc/33/15/15/605331515.db2.gz NUPZWKMUZVSSRK-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCSC(F)(F)F ZINC000834195589 605337549 /nfs/dbraw/zinc/33/75/49/605337549.db2.gz BPRDHRMDOQIUKN-UHFFFAOYSA-N -1 0 303.262 -0.261 20 0 DBADRM Cn1ncc2c1CCC[C@@H]2NC(=O)CNC(=O)CNC(=O)[O-] ZINC000833962493 605337773 /nfs/dbraw/zinc/33/77/73/605337773.db2.gz WDCWFJBEEAMIRG-VIFPVBQESA-N -1 0 309.326 -0.703 20 0 DBADRM O=C([O-])N1CC[C@@]2(C1)NC(=O)N(Cc1nnnn1C1CC1)C2=O ZINC000831974431 605342637 /nfs/dbraw/zinc/34/26/37/605342637.db2.gz OTHHOCSAWKZPDQ-LBPRGKRZSA-N -1 0 321.297 -0.818 20 0 DBADRM Cc1ccccc1OCCNC(=O)CNC(=O)CNC(=O)[O-] ZINC000833910267 605343599 /nfs/dbraw/zinc/34/35/99/605343599.db2.gz VFVIKYYXSXZBJO-UHFFFAOYSA-N -1 0 309.322 -0.126 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1c1ccc(C(=O)NCCO)nn1 ZINC000832580017 605343778 /nfs/dbraw/zinc/34/37/78/605343778.db2.gz YVKLESOEHFZWEC-VIFPVBQESA-N -1 0 309.326 -0.565 20 0 DBADRM CS(=O)(=O)CCCN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O ZINC000829672401 605346619 /nfs/dbraw/zinc/34/66/19/605346619.db2.gz AVXJCEHAVFVKGA-LLVKDONJSA-N -1 0 319.339 -0.905 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000834195151 605348454 /nfs/dbraw/zinc/34/84/54/605348454.db2.gz RQCQDLQSKAQOMX-SNVBAGLBSA-N -1 0 309.326 -0.153 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@@H]1c1ccco1 ZINC000834195399 605348910 /nfs/dbraw/zinc/34/89/10/605348910.db2.gz SUHSLKJSDPXEOO-SECBINFHSA-N -1 0 311.294 -0.437 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000834194725 605350378 /nfs/dbraw/zinc/35/03/78/605350378.db2.gz ODCMBQCJCWARIS-CQSZACIVSA-N -1 0 313.354 -0.211 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCc1nc2ccccc2o1 ZINC000834196005 605350931 /nfs/dbraw/zinc/35/09/31/605350931.db2.gz HNFSJXBNTJBSRQ-UHFFFAOYSA-N -1 0 320.305 -0.130 20 0 DBADRM CN1C[C@@H](NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CCC1=O ZINC000828452899 605352856 /nfs/dbraw/zinc/35/28/56/605352856.db2.gz VTWMAKZBXFSOCN-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NC[C@@H](O)C1CCOCC1 ZINC000831380658 605353029 /nfs/dbraw/zinc/35/30/29/605353029.db2.gz GKLBBRISRGFWQK-NWDGAFQWSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccc(-n2ccnn2)c1 ZINC000834198452 605353616 /nfs/dbraw/zinc/35/36/16/605353616.db2.gz JMQIMDNHKIXQNO-UHFFFAOYSA-N -1 0 318.293 -0.410 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NC[C@H](O)C2CCOCC2)C1 ZINC000831622502 605353622 /nfs/dbraw/zinc/35/36/22/605353622.db2.gz VYNVCITZTHWTMW-QWRGUYRKSA-N -1 0 302.327 -0.731 20 0 DBADRM CCN(C1CN(C(=O)[O-])C1)S(=O)(=O)N(C)CCC(=O)OC ZINC000826992680 605356855 /nfs/dbraw/zinc/35/68/55/605356855.db2.gz ROCRAJXALZFLIQ-UHFFFAOYSA-N -1 0 323.371 -0.590 20 0 DBADRM O=C([O-])N[C@H]1CCc2ncc(NC(=O)NC[C@H](O)CO)cc2C1 ZINC000834194100 605361812 /nfs/dbraw/zinc/36/18/12/605361812.db2.gz FDCJQWCVIPXINA-ONGXEEELSA-N -1 0 324.337 -0.319 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000825778726 605362606 /nfs/dbraw/zinc/36/26/06/605362606.db2.gz RYOHBNFDIHYYTC-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000825509049 605364393 /nfs/dbraw/zinc/36/43/93/605364393.db2.gz MDUTWOYNEMUSDP-CIUDSAMLSA-N -1 0 307.372 -0.429 20 0 DBADRM COC[C@@](C)(O)CNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828896968 605364896 /nfs/dbraw/zinc/36/48/96/605364896.db2.gz MXZJWGYIDGDZRB-MFKMUULPSA-N -1 0 304.343 -0.341 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1cn2ccsc2n1 ZINC000834198390 605366923 /nfs/dbraw/zinc/36/69/23/605366923.db2.gz IQSMFAUQKWVANI-UHFFFAOYSA-N -1 0 311.323 -0.604 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)NCCN(C(=O)[O-])C2CC2)cn1 ZINC000833946951 605371008 /nfs/dbraw/zinc/37/10/08/605371008.db2.gz OZQUQXLTKGFNFD-NSHDSACASA-N -1 0 311.342 -0.105 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)N[C@@H](CNC(=O)[O-])C2CC2)cn1 ZINC000833948261 605372969 /nfs/dbraw/zinc/37/29/69/605372969.db2.gz XFKGJJAIKIXGJR-QWRGUYRKSA-N -1 0 311.342 -0.201 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000833946301 605373070 /nfs/dbraw/zinc/37/30/70/605373070.db2.gz LPNMRXNFEWFTOH-GHMZBOCLSA-N -1 0 311.342 -0.105 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCO[C@@H](CC(=O)[O-])C1 ZINC000833432848 605374403 /nfs/dbraw/zinc/37/44/03/605374403.db2.gz CPRIZRUWDKJNGP-JTQLQIEISA-N -1 0 316.354 -0.380 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCO[C@H](CC(=O)[O-])C1 ZINC000833432849 605374712 /nfs/dbraw/zinc/37/47/12/605374712.db2.gz CPRIZRUWDKJNGP-SNVBAGLBSA-N -1 0 316.354 -0.380 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000834195196 605375152 /nfs/dbraw/zinc/37/51/52/605375152.db2.gz SAYQFZLGZMXHPN-MNOVXSKESA-N -1 0 313.354 -0.355 20 0 DBADRM CC(C)COC[C@H](O)CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824275682 605378177 /nfs/dbraw/zinc/37/81/77/605378177.db2.gz IXZKWMOKMIPKMN-VXGBXAGGSA-N -1 0 318.370 -0.095 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCCc1nccs1 ZINC000834196982 605378391 /nfs/dbraw/zinc/37/83/91/605378391.db2.gz UYIGQBKPHYAQGK-UHFFFAOYSA-N -1 0 300.340 -0.424 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CC(Oc2ccccc2)C1 ZINC000834193852 605378470 /nfs/dbraw/zinc/37/84/70/605378470.db2.gz QYRYVDMMEJXSIM-UHFFFAOYSA-N -1 0 307.306 -0.340 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC000833433281 605380755 /nfs/dbraw/zinc/38/07/55/605380755.db2.gz HYQDGWINQFOPNO-VIFPVBQESA-N -1 0 302.327 -0.770 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NC[C@H](O)COCC2CC2)C1 ZINC000831622661 605381522 /nfs/dbraw/zinc/38/15/22/605381522.db2.gz ZPNCGDBRXZDHNR-WDEREUQCSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)Nc1ccccc1 ZINC000834199497 605384157 /nfs/dbraw/zinc/38/41/57/605384157.db2.gz YJWWWWJLYLHPOX-UHFFFAOYSA-N -1 0 309.278 -0.448 20 0 DBADRM CN1CCC[C@H](NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C1=O ZINC000828481196 605384242 /nfs/dbraw/zinc/38/42/42/605384242.db2.gz MVEZURGWDBJFNO-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])NCCCNC(=O)NC[C@H]1CCCCS1(=O)=O ZINC000834237647 605384277 /nfs/dbraw/zinc/38/42/77/605384277.db2.gz ITTXQUZNOCCMFB-SECBINFHSA-N -1 0 307.372 -0.089 20 0 DBADRM Cc1ccc([C@@H](O)CNC(=O)CNC(=O)CNC(=O)[O-])cc1 ZINC000833905058 605388068 /nfs/dbraw/zinc/38/80/68/605388068.db2.gz OFAHVLMYDPHEKH-NSHDSACASA-N -1 0 309.322 -0.472 20 0 DBADRM CC(C)(CO)CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000824015643 605389588 /nfs/dbraw/zinc/38/95/88/605389588.db2.gz MSPFIYHKAINSEV-UHFFFAOYSA-N -1 0 316.358 -0.874 20 0 DBADRM CC(C)(CO)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000824014918 605389781 /nfs/dbraw/zinc/38/97/81/605389781.db2.gz FWLGUXZDUXZCJU-UHFFFAOYSA-N -1 0 302.375 -0.400 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000834197970 605393114 /nfs/dbraw/zinc/39/31/14/605393114.db2.gz ZWSWHGNPBPHPMR-GXFFZTMASA-N -1 0 307.306 -0.855 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@]1(O)CCc2ccccc21 ZINC000834197253 605393404 /nfs/dbraw/zinc/39/34/04/605393404.db2.gz YKJNOKDDMFTYAZ-OAHLLOKOSA-N -1 0 321.333 -0.680 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000831284249 605393657 /nfs/dbraw/zinc/39/36/57/605393657.db2.gz UIKFTVBWZFGZMT-VXGBXAGGSA-N -1 0 313.354 -0.702 20 0 DBADRM CNC(=O)c1cccc(NC(=O)CNC(=O)CNC(=O)[O-])c1 ZINC000833876576 605396342 /nfs/dbraw/zinc/39/63/42/605396342.db2.gz GTGLQZPAQOAADU-UHFFFAOYSA-N -1 0 308.294 -0.632 20 0 DBADRM COCCN(CCNC(=O)NC[C@@H]1COCCO1)C(=O)[O-] ZINC000833886919 605404198 /nfs/dbraw/zinc/40/41/98/605404198.db2.gz ZQRXYBMBZRIXKC-SNVBAGLBSA-N -1 0 305.331 -0.673 20 0 DBADRM COCCN(CCNC(=O)NC[C@H]1CN(C)CCO1)C(=O)[O-] ZINC000833886072 605406001 /nfs/dbraw/zinc/40/60/01/605406001.db2.gz PJWVJKDSKFDQEF-NSHDSACASA-N -1 0 318.374 -0.757 20 0 DBADRM CS(=O)(=O)NCCC(=O)O[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000829688907 605406525 /nfs/dbraw/zinc/40/65/25/605406525.db2.gz XBICVHJSXVRKNJ-DTWKUNHWSA-N -1 0 308.356 -0.095 20 0 DBADRM O=C([O-])NCC1CCN(Cn2nc3cnccn3c2=O)CC1 ZINC000834226521 605406729 /nfs/dbraw/zinc/40/67/29/605406729.db2.gz YOHATONDOFLIPC-UHFFFAOYSA-N -1 0 306.326 -0.172 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(Cn2nc3cnccn3c2=O)CCO1 ZINC000833820739 605408213 /nfs/dbraw/zinc/40/82/13/605408213.db2.gz SOYWBWFNUDUEFY-VHSXEESVSA-N -1 0 322.325 -0.795 20 0 DBADRM Cn1cc(C(=O)NCC2(C)CCN(C(=O)[O-])CC2)c(=O)[nH]c1=O ZINC000833943078 605412735 /nfs/dbraw/zinc/41/27/35/605412735.db2.gz GSNFUNJOWFFIJM-UHFFFAOYSA-N -1 0 324.337 -0.004 20 0 DBADRM COCCN(CCNC(=O)N[C@H]1CCC(=O)N(C)C1)C(=O)[O-] ZINC000833885261 605413678 /nfs/dbraw/zinc/41/36/78/605413678.db2.gz CPLZNJHNWXRQNX-JTQLQIEISA-N -1 0 316.358 -0.467 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC2(COC(=O)N2)CC1)C(=O)[O-] ZINC000833520338 605416205 /nfs/dbraw/zinc/41/62/05/605416205.db2.gz TWTKATRQUXSATI-MRVPVSSYSA-N -1 0 306.340 -0.389 20 0 DBADRM CCNC(=O)NC1(C(=O)N[C@@H](COC)C(=O)[O-])CCCC1 ZINC000833656422 605416759 /nfs/dbraw/zinc/41/67/59/605416759.db2.gz FATUYGBZKOHYRW-VIFPVBQESA-N -1 0 301.343 -0.166 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000833894766 605418288 /nfs/dbraw/zinc/41/82/88/605418288.db2.gz NLHAVTLFCVXAIN-UTLUCORTSA-N -1 0 322.383 -0.523 20 0 DBADRM O=C([O-])N1CCC(OC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC000834288477 605421839 /nfs/dbraw/zinc/42/18/39/605421839.db2.gz FULCMFAEVQOFKG-UHFFFAOYSA-N -1 0 311.294 -0.340 20 0 DBADRM CCOC(=O)[C@@H](C)[C@H](C)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000833658216 605424519 /nfs/dbraw/zinc/42/45/19/605424519.db2.gz ZHKPPWBNPFWZRO-IUCAKERBSA-N -1 0 310.372 -0.185 20 0 DBADRM COCCc1cc(NC(=O)COC2CN(C(=O)[O-])C2)n(C)n1 ZINC000829024621 605426841 /nfs/dbraw/zinc/42/68/41/605426841.db2.gz WWRMQRYAJWKMNS-UHFFFAOYSA-N -1 0 312.326 -0.074 20 0 DBADRM Cn1cc(COC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-])cn1 ZINC000833946790 605429299 /nfs/dbraw/zinc/42/92/99/605429299.db2.gz MVJGRZFDVBPVSO-VIFPVBQESA-N -1 0 319.339 -0.466 20 0 DBADRM O=C(CCOC1CN(C(=O)[O-])C1)OC[C@@H]1CCS(=O)(=O)C1 ZINC000833994632 605434491 /nfs/dbraw/zinc/43/44/91/605434491.db2.gz XBIRPHLILVCBPB-VIFPVBQESA-N -1 0 321.351 -0.267 20 0 DBADRM Cn1cccc1CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-] ZINC000833952641 605434861 /nfs/dbraw/zinc/43/48/61/605434861.db2.gz OFBFTYNINFJQQW-JTQLQIEISA-N -1 0 317.367 -0.288 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)OC[C@H]2CCS(=O)(=O)C2)C1 ZINC000834285832 605435850 /nfs/dbraw/zinc/43/58/50/605435850.db2.gz SDKYEIYJCOQRIY-RKDXNWHRSA-N -1 0 307.324 -0.657 20 0 DBADRM O=C([O-])N1CC(CC(=O)N2CCC(C(=O)NCCO)CC2)C1 ZINC000831693350 605436604 /nfs/dbraw/zinc/43/66/04/605436604.db2.gz MXUSUJFISGUDEX-UHFFFAOYSA-N -1 0 313.354 -0.667 20 0 DBADRM COCCN(CC(=O)N[C@@H](CO)c1cnn(C)c1)C(=O)[O-] ZINC000833884434 605436606 /nfs/dbraw/zinc/43/66/06/605436606.db2.gz LOOOQWGEJSKVQP-JTQLQIEISA-N -1 0 300.315 -0.804 20 0 DBADRM O=C([O-])NCCCC(=O)N1CCC(C(=O)NCCO)CC1 ZINC000832605154 605436641 /nfs/dbraw/zinc/43/66/41/605436641.db2.gz KEZODDMEVLTAEC-UHFFFAOYSA-N -1 0 301.343 -0.619 20 0 DBADRM O=C([O-])N1CCC[C@@H]1C(=O)N1CCC(C(=O)NCCO)CC1 ZINC000831693249 605437390 /nfs/dbraw/zinc/43/73/90/605437390.db2.gz LDTVBSXBBCXNOP-LLVKDONJSA-N -1 0 313.354 -0.524 20 0 DBADRM O=C([O-])N1CCC[C@H]1C(=O)N1CCC(C(=O)NCCO)CC1 ZINC000831693300 605438757 /nfs/dbraw/zinc/43/87/57/605438757.db2.gz LDTVBSXBBCXNOP-NSHDSACASA-N -1 0 313.354 -0.524 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@@]1(O)CCOC1 ZINC000833683008 605440252 /nfs/dbraw/zinc/44/02/52/605440252.db2.gz MNDUMNFGRYJSQC-LBPRGKRZSA-N -1 0 319.335 -0.030 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)NC[C@@H](C)CNC(=O)[O-] ZINC000833863798 605440479 /nfs/dbraw/zinc/44/04/79/605440479.db2.gz QVBPDDHNMFPKPD-SECBINFHSA-N -1 0 309.388 -0.034 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)NC[C@H](C)CNC(=O)[O-] ZINC000833863799 605440664 /nfs/dbraw/zinc/44/06/64/605440664.db2.gz QVBPDDHNMFPKPD-VIFPVBQESA-N -1 0 309.388 -0.034 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCCC[C@@H]1O ZINC000833895156 605441690 /nfs/dbraw/zinc/44/16/90/605441690.db2.gz QIDSRVSIQQZOHC-GUBZILKMSA-N -1 0 322.383 -0.523 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCC(=O)NC1=O ZINC000829731462 605446665 /nfs/dbraw/zinc/44/66/65/605446665.db2.gz RAOQBLOFOPFBRN-BQBZGAKWSA-N -1 0 303.340 -0.703 20 0 DBADRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000832139875 605446752 /nfs/dbraw/zinc/44/67/52/605446752.db2.gz DBTAWKGUAMCCQK-MNOVXSKESA-N -1 0 319.317 -0.213 20 0 DBADRM O=C([O-])N1CCSC[C@H]1CC(=O)N1CCO[C@@H](CO)C1 ZINC000831402624 605446797 /nfs/dbraw/zinc/44/67/97/605446797.db2.gz NMSQCYLFHYWDSP-NXEZZACHSA-N -1 0 304.368 -0.308 20 0 DBADRM C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])C(=O)OC(C)(C)C ZINC000825082102 605447863 /nfs/dbraw/zinc/44/78/63/605447863.db2.gz JNSUAXQMXQAICB-CIUDSAMLSA-N -1 0 302.327 -0.054 20 0 DBADRM O=C([O-])NCc1nc(C(=O)N[C@@H]2CCC(=O)NC2=O)cs1 ZINC000832734832 605448001 /nfs/dbraw/zinc/44/80/01/605448001.db2.gz OEYYNRPFTHEZPA-RXMQYKEDSA-N -1 0 312.307 -0.554 20 0 DBADRM C[C@@]1(CCCC(=O)N[C@@H]2CCN(C(=O)[O-])C2)NC(=O)NC1=O ZINC000825744970 605449271 /nfs/dbraw/zinc/44/92/71/605449271.db2.gz SHIKABHOKZZAIZ-OQPBUACISA-N -1 0 312.326 -0.377 20 0 DBADRM COCCN(CCNC(=O)N[C@@H]1CCCNC1=O)C(=O)[O-] ZINC000833885668 605453202 /nfs/dbraw/zinc/45/32/02/605453202.db2.gz JIXDEIFJCIQALV-SECBINFHSA-N -1 0 302.331 -0.809 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(c2ccc(C(=O)NCCO)nn2)C1 ZINC000827822895 605456364 /nfs/dbraw/zinc/45/63/64/605456364.db2.gz PIEQTJMRRGOUCW-JTQLQIEISA-N -1 0 323.353 -0.223 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNC(=O)N1CCCS(=O)(=O)CC1 ZINC000834024208 605456727 /nfs/dbraw/zinc/45/67/27/605456727.db2.gz BLBCYLBOLZXYFE-JTQLQIEISA-N -1 0 319.383 -0.041 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000825507074 605464706 /nfs/dbraw/zinc/46/47/06/605464706.db2.gz AYHXRKGUFARSPR-WPRPVWTQSA-N -1 0 319.383 -0.333 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)c1=O ZINC000830964436 605466113 /nfs/dbraw/zinc/46/61/13/605466113.db2.gz RISDPEGZJZVFSK-SECBINFHSA-N -1 0 322.321 -0.157 20 0 DBADRM O=C([O-])N1CC[C@@]2(C1)NC(=O)N(CC1(O)CCOCC1)C2=O ZINC000831969217 605470407 /nfs/dbraw/zinc/47/04/07/605470407.db2.gz JSZCPNTTZCMJRJ-ZDUSSCGKSA-N -1 0 313.310 -0.798 20 0 DBADRM Cn1cnn(CC(=O)N2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@H]3C2)c1=O ZINC000833956751 605470556 /nfs/dbraw/zinc/47/05/56/605470556.db2.gz PBZFWTQJXPVPFV-DCAQKATOSA-N -1 0 323.353 -0.524 20 0 DBADRM O=C([O-])N1CC[C@@H](CCC(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC000834289609 605477343 /nfs/dbraw/zinc/47/73/43/605477343.db2.gz MYXNSHMLCKECKW-OTYXRUKQSA-N -1 0 324.337 -0.423 20 0 DBADRM C[C@H](C(=O)N1CCCC1)N1CC[NH+](C[C@@](C)(O)C(=O)[O-])CC1 ZINC000833403004 605497711 /nfs/dbraw/zinc/49/77/11/605497711.db2.gz CCEBKYMJGWEBJO-IUODEOHRSA-N -1 0 313.398 -0.550 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCN(c2ccc(C(=O)NCCO)nn2)C1 ZINC000833818576 605498687 /nfs/dbraw/zinc/49/86/87/605498687.db2.gz QDCIMUOODMVAAR-NXEZZACHSA-N -1 0 323.353 -0.319 20 0 DBADRM C[C@H](CC(=O)c1ccco1)NC(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833802927 605503640 /nfs/dbraw/zinc/50/36/40/605503640.db2.gz XEQWTVPVPPEBDD-HTQZYQBOSA-N -1 0 311.294 -0.131 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCCNS(C)(=O)=O ZINC000825824657 605505529 /nfs/dbraw/zinc/50/55/29/605505529.db2.gz UNYVPTKRRAZWAP-BDAKNGLRSA-N -1 0 322.387 -0.634 20 0 DBADRM CN(CCN(C)C(=O)c1ccc(S(N)(=O)=O)o1)C(=O)[O-] ZINC000833873306 605507514 /nfs/dbraw/zinc/50/75/14/605507514.db2.gz VDRRROAORFYBCS-UHFFFAOYSA-N -1 0 305.312 -0.391 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NCCS(C)(=O)=O)C1 ZINC000833815968 605508250 /nfs/dbraw/zinc/50/82/50/605508250.db2.gz JFRTTYJIJVBYQS-IUCAKERBSA-N -1 0 307.372 -0.281 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)O[C@@H]1CCOC1=O ZINC000833797971 605514334 /nfs/dbraw/zinc/51/43/34/605514334.db2.gz UMMJWLWZMZHXAY-APPZFPTMSA-N -1 0 302.283 -0.747 20 0 DBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCCS(C)(=O)=O ZINC000825822619 605520849 /nfs/dbraw/zinc/52/08/49/605520849.db2.gz JOSKNKVOKDQQGE-DTWKUNHWSA-N -1 0 307.372 -0.139 20 0 DBADRM C[C@@H](NC(=O)N(C)CCN(C)C(=O)[O-])[C@H]1CN(C)CCO1 ZINC000833813559 605523949 /nfs/dbraw/zinc/52/39/49/605523949.db2.gz RFAJGFIBNQECPD-GHMZBOCLSA-N -1 0 302.375 -0.043 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)nn1 ZINC000316630318 605532614 /nfs/dbraw/zinc/53/26/14/605532614.db2.gz DDZGJKBFEQMGIJ-UHFFFAOYSA-N -1 0 306.238 -0.090 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3ccnc4[nH]cnc43)C2)nn1 ZINC000833783918 605533353 /nfs/dbraw/zinc/53/33/53/605533353.db2.gz JSNJAOCCSVPSRJ-UHFFFAOYSA-N -1 0 313.277 -0.055 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1S(=O)(=O)N1CCOCC1 ZINC000825845646 605538644 /nfs/dbraw/zinc/53/86/44/605538644.db2.gz QJNXDNZVJPEDGA-UWVGGRQHSA-N -1 0 307.372 -0.316 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000833480440 605543497 /nfs/dbraw/zinc/54/34/97/605543497.db2.gz HKAAPYIOZCKDHH-SECBINFHSA-N -1 0 324.341 -0.557 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000828964305 605545889 /nfs/dbraw/zinc/54/58/89/605545889.db2.gz RQQCMSCENFOVIN-ZJUUUORDSA-N -1 0 309.388 -0.070 20 0 DBADRM O=C([O-])N1CCCC[C@@H]1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000834290196 605547741 /nfs/dbraw/zinc/54/77/41/605547741.db2.gz QFWWMBSWFIYCCW-BDAKNGLRSA-N -1 0 310.310 -0.719 20 0 DBADRM C[C@]1(c2cccc(C(=O)NCCNC(=O)[O-])c2)NC(=O)NC1=O ZINC000825772449 605548253 /nfs/dbraw/zinc/54/82/53/605548253.db2.gz KISPMVDOEQMUEW-CQSZACIVSA-N -1 0 320.305 -0.261 20 0 DBADRM O=C([O-])N1CCc2cc(NC(=O)NCC(=O)NCCO)ccc21 ZINC000834006288 605549160 /nfs/dbraw/zinc/54/91/60/605549160.db2.gz XIUUQPMJZLJUIT-UHFFFAOYSA-N -1 0 322.321 -0.043 20 0 DBADRM O=C([O-])N1CCc2c1cccc2NC(=O)NCC(=O)NCCO ZINC000834005032 605549199 /nfs/dbraw/zinc/54/91/99/605549199.db2.gz MQPXFEFFRFOASZ-UHFFFAOYSA-N -1 0 322.321 -0.043 20 0 DBADRM COCC1(O)CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000833881441 605550156 /nfs/dbraw/zinc/55/01/56/605550156.db2.gz CHSIDUZTRPQYNS-SNVBAGLBSA-N -1 0 302.327 -0.635 20 0 DBADRM COCC1(O)CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000833882448 605550426 /nfs/dbraw/zinc/55/04/26/605550426.db2.gz RRCKEIXGEAMXSS-SNVBAGLBSA-N -1 0 302.327 -0.635 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)OCCN2CCCS2(=O)=O)C1 ZINC000831913827 605551521 /nfs/dbraw/zinc/55/15/21/605551521.db2.gz APOHEEXIZXKTAP-LLVKDONJSA-N -1 0 324.330 -0.343 20 0 DBADRM Cn1cc(N2CCC[C@H](NC(=O)C3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000833949752 605558582 /nfs/dbraw/zinc/55/85/82/605558582.db2.gz KQXRJFWOIXABKV-NSHDSACASA-N -1 0 321.337 -0.359 20 0 DBADRM O=C([O-])N1CC(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000834020535 605560550 /nfs/dbraw/zinc/56/05/50/605560550.db2.gz XOINHWFLDKZHAK-LLVKDONJSA-N -1 0 311.338 -0.508 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000833981427 605569836 /nfs/dbraw/zinc/56/98/36/605569836.db2.gz DYMVPAOQBXBOFA-UMNHJUIQSA-N -1 0 307.306 -0.728 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000833981424 605570273 /nfs/dbraw/zinc/57/02/73/605570273.db2.gz DYMVPAOQBXBOFA-FOGDFJRCSA-N -1 0 307.306 -0.728 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)N2CCN(C(=O)CO)CC2)cc1 ZINC000834246193 605574048 /nfs/dbraw/zinc/57/40/48/605574048.db2.gz KJUZKUZQOPYABU-UHFFFAOYSA-N -1 0 321.333 -0.269 20 0 DBADRM CC(C)N(CC(N)=O)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824330313 605578990 /nfs/dbraw/zinc/57/89/90/605578990.db2.gz ZATLWUOMUFULKV-SNVBAGLBSA-N -1 0 301.343 -0.132 20 0 DBADRM O=C([O-])N1CC[C@@H](N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000834083795 605581477 /nfs/dbraw/zinc/58/14/77/605581477.db2.gz KUIHTLOFEWEDML-CYBMUJFWSA-N -1 0 310.398 -0.021 20 0 DBADRM O=C([O-])N1CC[C@H](N2CCN(C(=O)c3cnccn3)CC2)C1 ZINC000834083266 605583248 /nfs/dbraw/zinc/58/32/48/605583248.db2.gz JMBARPUPRYGMOT-NSHDSACASA-N -1 0 305.338 -0.013 20 0 DBADRM Cn1cccc(NC(=O)C(=O)NCC2(NC(=O)[O-])CCC2)c1=O ZINC000833952067 605601074 /nfs/dbraw/zinc/60/10/74/605601074.db2.gz GGIPVJZOOGZXKR-UHFFFAOYSA-N -1 0 322.321 -0.370 20 0 DBADRM Cn1cc(C[N@@H+]2CCN(C(=O)[O-])CC2(C)C)c(=O)n(C)c1=O ZINC000833949514 605610865 /nfs/dbraw/zinc/61/08/65/605610865.db2.gz RTYINPPJBFTDFD-UHFFFAOYSA-N -1 0 310.354 -0.342 20 0 DBADRM O=C([O-])NC1(C(=O)NCC(=O)NCCO)Cc2ccccc2C1 ZINC000834152313 605622267 /nfs/dbraw/zinc/62/22/67/605622267.db2.gz YGTPGKLFCGCOGH-UHFFFAOYSA-N -1 0 321.333 -0.984 20 0 DBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCN(CCO)CC2)C1 ZINC000831996544 605622549 /nfs/dbraw/zinc/62/25/49/605622549.db2.gz HJRSGSFFYLELML-GFCCVEGCSA-N -1 0 315.370 -0.718 20 0 DBADRM O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)NCC(=O)NCCO ZINC000834187737 605622721 /nfs/dbraw/zinc/62/27/21/605622721.db2.gz YYHSHXYPWZHPBZ-MNOVXSKESA-N -1 0 315.370 -0.182 20 0 DBADRM NS(=O)(=O)CCNC(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000833986380 605627635 /nfs/dbraw/zinc/62/76/35/605627635.db2.gz PZTIGTSYJWRFNN-JTQLQIEISA-N -1 0 315.351 -0.210 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CCN(C(=O)[O-])C[C@H]2C)C1=O ZINC000739809716 605629037 /nfs/dbraw/zinc/62/90/37/605629037.db2.gz GKAUEDOUAXHRFH-RNCFNFMXSA-N -1 0 314.342 -0.415 20 0 DBADRM O=C([O-])N[C@@H](CC(=O)NC[C@H](O)CN1CCOCC1)C1CC1 ZINC000834124488 605630422 /nfs/dbraw/zinc/63/04/22/605630422.db2.gz GNKNQGMKBDIHMK-RYUDHWBXSA-N -1 0 315.370 -0.768 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CCO1 ZINC000831178696 605632905 /nfs/dbraw/zinc/63/29/05/605632905.db2.gz LFNXBFAESQNHPR-RKDXNWHRSA-N -1 0 317.367 -0.815 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CCO1 ZINC000831178694 605633084 /nfs/dbraw/zinc/63/30/84/605633084.db2.gz LFNXBFAESQNHPR-DTWKUNHWSA-N -1 0 317.367 -0.815 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@H]2CCN(C(=O)[O-])C2)ccc1=O ZINC000833949407 605634330 /nfs/dbraw/zinc/63/43/30/605634330.db2.gz IYNRIJWNCMEKQU-SECBINFHSA-N -1 0 322.321 -0.560 20 0 DBADRM Cn1nccc1NC(=O)C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833963139 605635474 /nfs/dbraw/zinc/63/54/74/605635474.db2.gz KNLVSERJNYATLE-SECBINFHSA-N -1 0 309.326 -0.135 20 0 DBADRM C[C@@H](NC(=O)CN1CCC(NC(=O)[O-])CC1)c1nncn1C ZINC000825120842 605637311 /nfs/dbraw/zinc/63/73/11/605637311.db2.gz HZSQRBZQZKMNGJ-SECBINFHSA-N -1 0 310.358 -0.276 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)C1 ZINC000833554323 605637477 /nfs/dbraw/zinc/63/74/77/605637477.db2.gz VAJIOFBCTYTDLG-AWEZNQCLSA-N -1 0 320.305 -0.558 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000825778383 605638018 /nfs/dbraw/zinc/63/80/18/605638018.db2.gz MIJJTSBSHKENKZ-RKDXNWHRSA-N -1 0 301.368 -0.181 20 0 DBADRM CC(C)(CNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)C(N)=O ZINC000823912578 605644445 /nfs/dbraw/zinc/64/44/45/605644445.db2.gz PTGZLMKRIKFSQS-VIFPVBQESA-N -1 0 301.343 -0.227 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000833805497 605644482 /nfs/dbraw/zinc/64/44/82/605644482.db2.gz DTKMMTCFHSBRMV-ZETCQYMHSA-N -1 0 316.339 -0.638 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000739413530 605645989 /nfs/dbraw/zinc/64/59/89/605645989.db2.gz CNVKMBKFOJSGGP-ZJUUUORDSA-N -1 0 319.383 -0.137 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cc2cnn(C)c2)[C@H](C(=O)[O-])C1 ZINC000833710152 605651702 /nfs/dbraw/zinc/65/17/02/605651702.db2.gz ORGKCLSGFYDKBE-QWRGUYRKSA-N -1 0 309.322 -0.173 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)NC[C@H]2CN3CCN2CC3)o1 ZINC000834249418 605652138 /nfs/dbraw/zinc/65/21/38/605652138.db2.gz VRINLMHDRBMNNZ-JTQLQIEISA-N -1 0 308.338 -0.223 20 0 DBADRM O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCS(=O)(=O)CC1 ZINC000831403489 605653823 /nfs/dbraw/zinc/65/38/23/605653823.db2.gz XFVPRGHDTKASRK-VIFPVBQESA-N -1 0 322.408 -0.271 20 0 DBADRM CCNC(=O)CN(CC)C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000827243318 605655833 /nfs/dbraw/zinc/65/58/33/605655833.db2.gz XRWHXZFISJCZFO-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM CCCN(CC(=O)NC)C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000826898219 605659919 /nfs/dbraw/zinc/65/99/19/605659919.db2.gz TXPIAYBNYBODNH-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC([C@H](O)C(=O)OC)CC1 ZINC000833863667 605662033 /nfs/dbraw/zinc/66/20/33/605662033.db2.gz BTUBDDYDPUKACK-UWVGGRQHSA-N -1 0 302.327 -0.195 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCn1ccnn1 ZINC000833704031 605663387 /nfs/dbraw/zinc/66/33/87/605663387.db2.gz DQAZPJWCELIHRB-VHSXEESVSA-N -1 0 310.310 -0.467 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCCc1cn2ccccc2n1 ZINC000833981851 605666023 /nfs/dbraw/zinc/66/60/23/605666023.db2.gz HUEXSFQWIOHYQR-SNVBAGLBSA-N -1 0 319.321 -0.495 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCCc1cn2ccccc2n1 ZINC000833981850 605666131 /nfs/dbraw/zinc/66/61/31/605666131.db2.gz HUEXSFQWIOHYQR-JTQLQIEISA-N -1 0 319.321 -0.495 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000833982637 605666203 /nfs/dbraw/zinc/66/62/03/605666203.db2.gz BEPCGZNBTAQQOK-MRVPVSSYSA-N -1 0 322.277 -0.532 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc2c(c1)OCO2 ZINC000833981046 605666231 /nfs/dbraw/zinc/66/62/31/605666231.db2.gz BQQRXQPOWIBAJG-MRVPVSSYSA-N -1 0 309.278 -0.457 20 0 DBADRM NC(=O)[C@H]1COCCN1C(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833979083 605667444 /nfs/dbraw/zinc/66/74/44/605667444.db2.gz BXCLCXGBYLBACC-VHSXEESVSA-N -1 0 311.338 -0.521 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 ZINC000831987969 605667747 /nfs/dbraw/zinc/66/77/47/605667747.db2.gz ZIDWHLBDDZCDLH-VHSXEESVSA-N -1 0 311.342 -0.452 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000833982900 605670081 /nfs/dbraw/zinc/67/00/81/605670081.db2.gz PUQRPYMIMWWSCO-VIFPVBQESA-N -1 0 323.284 -0.170 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000833984514 605670103 /nfs/dbraw/zinc/67/01/03/605670103.db2.gz QSVRDWSMMVWQHB-SECBINFHSA-N -1 0 318.293 -0.078 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1 ZINC000833530507 605671980 /nfs/dbraw/zinc/67/19/80/605671980.db2.gz VERFSZQRSMTDEB-DTWKUNHWSA-N -1 0 309.322 -0.109 20 0 DBADRM O=C([O-])Nc1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cn1 ZINC000834260843 605675376 /nfs/dbraw/zinc/67/53/76/605675376.db2.gz ZLSOWSZKWOFNKP-JTQLQIEISA-N -1 0 319.321 -0.686 20 0 DBADRM Cn1nc2c(c1NC(=O)C(=O)N1CC[C@H](NC(=O)[O-])C1)CCC2 ZINC000833959713 605682738 /nfs/dbraw/zinc/68/27/38/605682738.db2.gz XIBGZPPELDVICH-QMMMGPOBSA-N -1 0 321.337 -0.284 20 0 DBADRM COC(=O)[C@@H]1CCN(CC(=O)Nc2ccncc2)[C@@H](C(=O)[O-])C1 ZINC000833705637 605684571 /nfs/dbraw/zinc/68/45/71/605684571.db2.gz DZYONXLHFOTJQI-ZYHUDNBSSA-N -1 0 321.333 -0.220 20 0 DBADRM CC(C)(CC(=O)[O-])CC(=O)NCCN1CCS(=O)(=O)CC1 ZINC000833453270 605697739 /nfs/dbraw/zinc/69/77/39/605697739.db2.gz DFABMTZLJRVHKI-UHFFFAOYSA-N -1 0 320.411 -0.276 20 0 DBADRM NC(=O)c1cc(CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)on1 ZINC000831214780 605715169 /nfs/dbraw/zinc/71/51/69/605715169.db2.gz DWUIDIQHLYQQHH-QMMMGPOBSA-N -1 0 312.282 -0.841 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC(OCCCO)CC2)C1 ZINC000831852207 605717008 /nfs/dbraw/zinc/71/70/08/605717008.db2.gz MSPKZSAYUUAXFE-UHFFFAOYSA-N -1 0 316.354 -0.245 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)OCC(=O)C1CCOCC1 ZINC000834005953 605718492 /nfs/dbraw/zinc/71/84/92/605718492.db2.gz JFCRZMAHOPVLJK-JTQLQIEISA-N -1 0 301.295 -0.096 20 0 DBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CN1CCC(=O)NC1=O ZINC000825809742 605729260 /nfs/dbraw/zinc/72/92/60/605729260.db2.gz QIJSCEPHILWYQF-DTWKUNHWSA-N -1 0 312.326 -0.425 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NCCC(=O)N2CCOCC2)C1 ZINC000834038555 605730486 /nfs/dbraw/zinc/73/04/86/605730486.db2.gz VFVXYXRTKFZUBW-UHFFFAOYSA-N -1 0 314.342 -0.856 20 0 DBADRM O=C(CN1CCCS1(=O)=O)OC1CCN(C(=O)[O-])CC1 ZINC000834007272 605731358 /nfs/dbraw/zinc/73/13/58/605731358.db2.gz JEMWLFVFVXZVOK-UHFFFAOYSA-N -1 0 306.340 -0.293 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)[C@@]1(C)CCCN1C(=O)[O-] ZINC000833879879 605732557 /nfs/dbraw/zinc/73/25/57/605732557.db2.gz RYYYVMWDEVHKKW-CYBMUJFWSA-N -1 0 316.310 -0.259 20 0 DBADRM Cc1nncn1CCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000830894848 605733699 /nfs/dbraw/zinc/73/36/99/605733699.db2.gz XVWWRBMRACAYGN-LLVKDONJSA-N -1 0 311.342 -0.138 20 0 DBADRM CN1C[C@H](NC(=O)CN2CCC(NC(=O)[O-])CC2)CCC1=O ZINC000828452795 605735194 /nfs/dbraw/zinc/73/51/94/605735194.db2.gz VTCNICLPFYQHNZ-LLVKDONJSA-N -1 0 312.370 -0.545 20 0 DBADRM CN1C[C@@H](NC(=O)CN2CCC(NC(=O)[O-])CC2)CCC1=O ZINC000828452796 605735699 /nfs/dbraw/zinc/73/56/99/605735699.db2.gz VTCNICLPFYQHNZ-NSHDSACASA-N -1 0 312.370 -0.545 20 0 DBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CN1C(=O)CN(C)C1=O ZINC000825809710 605738934 /nfs/dbraw/zinc/73/89/34/605738934.db2.gz QCGQEPDJSCJKLX-DTWKUNHWSA-N -1 0 312.326 -0.473 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)NCC1CN(C(=O)[O-])C1 ZINC000833836449 605741559 /nfs/dbraw/zinc/74/15/59/605741559.db2.gz BBRAATIXYWYXFZ-MRVPVSSYSA-N -1 0 305.356 -0.575 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000834011125 605747532 /nfs/dbraw/zinc/74/75/32/605747532.db2.gz RRGKAYXIAXGOGE-YGRLFVJLSA-N -1 0 314.338 -0.181 20 0 DBADRM O=C([O-])NCCOCC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000834243625 605748291 /nfs/dbraw/zinc/74/82/91/605748291.db2.gz YVWZVPDXJAIQGM-GWCFXTLKSA-N -1 0 302.327 -0.275 20 0 DBADRM O=C([O-])NCCOCC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000834243631 605748347 /nfs/dbraw/zinc/74/83/47/605748347.db2.gz YVWZVPDXJAIQGM-MFKMUULPSA-N -1 0 302.327 -0.275 20 0 DBADRM Cc1nccn1[C@@H]1CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])C1 ZINC000833919194 605756319 /nfs/dbraw/zinc/75/63/19/605756319.db2.gz UISPMFASDLTKAU-GHMZBOCLSA-N -1 0 323.353 -0.133 20 0 DBADRM Cc1nccn1[C@@H]1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])C1 ZINC000833919197 605756456 /nfs/dbraw/zinc/75/64/56/605756456.db2.gz UISPMFASDLTKAU-MNOVXSKESA-N -1 0 323.353 -0.133 20 0 DBADRM O=C([O-])N1CCC(NC(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000834040790 605758170 /nfs/dbraw/zinc/75/81/70/605758170.db2.gz HSKWYZXRFMEFRK-UHFFFAOYSA-N -1 0 324.341 -0.419 20 0 DBADRM NC(=O)COc1ccc(C(=O)NCC2CN(C(=O)[O-])C2)cc1 ZINC000833985000 605758949 /nfs/dbraw/zinc/75/89/49/605758949.db2.gz MGQHQSRBLCKQHU-UHFFFAOYSA-N -1 0 307.306 -0.110 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000833985507 605759349 /nfs/dbraw/zinc/75/93/49/605759349.db2.gz ZRFWBOPLKLZJJS-SECBINFHSA-N -1 0 306.278 -0.369 20 0 DBADRM Cc1ccc2[nH]c(CNC(=O)[C@@H](CC(N)=O)NC(=O)[O-])nc2c1 ZINC000833907930 605759864 /nfs/dbraw/zinc/75/98/64/605759864.db2.gz XMKAEPOYFIAFPY-SNVBAGLBSA-N -1 0 319.321 -0.001 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000833981285 605760026 /nfs/dbraw/zinc/76/00/26/605760026.db2.gz TWDHDWBELJEPDJ-CDUCUWFYSA-N -1 0 313.232 -0.976 20 0 DBADRM Cn1nccc1C1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])CC1 ZINC000833963057 605760036 /nfs/dbraw/zinc/76/00/36/605760036.db2.gz ISITZAXJIOWTGW-SNVBAGLBSA-N -1 0 323.353 -0.362 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCCc1nc2ccccc2o1 ZINC000833984019 605760702 /nfs/dbraw/zinc/76/07/02/605760702.db2.gz ZNVWXEKYCAOLEB-VIFPVBQESA-N -1 0 320.305 -0.002 20 0 DBADRM NC(=O)CN(CC(N)=O)C(=O)Cc1cccc(NC(=O)[O-])c1 ZINC000833985583 605768008 /nfs/dbraw/zinc/76/80/08/605768008.db2.gz SBLYXRAWRQDXTQ-UHFFFAOYSA-N -1 0 308.294 -0.882 20 0 DBADRM C=CC(=O)NCCC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC000833371695 605768985 /nfs/dbraw/zinc/76/89/85/605768985.db2.gz JUMYUUWULIUOFD-ZJUUUORDSA-N -1 0 312.322 -0.457 20 0 DBADRM COC(=O)CCNC(=O)CN1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000833879208 605772119 /nfs/dbraw/zinc/77/21/19/605772119.db2.gz LSHYRJRWTICYMU-VHSXEESVSA-N -1 0 301.343 -0.214 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NC[C@@]2(CCO)CCOC2)C1 ZINC000834034701 605773748 /nfs/dbraw/zinc/77/37/48/605773748.db2.gz XGUAFIYTQALEMA-CYBMUJFWSA-N -1 0 301.343 -0.316 20 0 DBADRM CCc1ncc(NC(=O)C(=O)NCC2CN(C(=O)[O-])C2)cn1 ZINC000833866218 605777838 /nfs/dbraw/zinc/77/78/38/605777838.db2.gz JLHCTXGMRJLAEE-UHFFFAOYSA-N -1 0 307.310 -0.297 20 0 DBADRM O=C([O-])N1CC(CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC000834037814 605782861 /nfs/dbraw/zinc/78/28/61/605782861.db2.gz HCXOMAVILNVFNK-UHFFFAOYSA-N -1 0 303.274 -0.090 20 0 DBADRM COC(=O)CCNC(=O)CN(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833877620 605783207 /nfs/dbraw/zinc/78/32/07/605783207.db2.gz ACVDCNZQKGYBAI-LLVKDONJSA-N -1 0 313.354 -0.118 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NC1CCC(C(=O)NC(N)=O)CC1 ZINC000827518616 605785146 /nfs/dbraw/zinc/78/51/46/605785146.db2.gz MNQILSNTBDPYCY-HACHORDNSA-N -1 0 314.342 -0.098 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000823843692 605787019 /nfs/dbraw/zinc/78/70/19/605787019.db2.gz NRCBVAFZALOGOO-HRDYMLBCSA-N -1 0 301.343 -0.182 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NCC(=O)NCC(F)(F)F ZINC000833809736 605791355 /nfs/dbraw/zinc/79/13/55/605791355.db2.gz VKCXQJFRJQCJMP-LURJTMIESA-N -1 0 314.264 -0.132 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2CCCCC[C@H]2C(=O)[O-])C1=O ZINC000833697490 605794676 /nfs/dbraw/zinc/79/46/76/605794676.db2.gz HNMIZMXZVAQOJP-QMMMGPOBSA-N -1 0 311.294 -0.737 20 0 DBADRM Cn1nnnc1CCNC(=O)NCCCN(C(=O)[O-])C1CC1 ZINC000833960993 605795621 /nfs/dbraw/zinc/79/56/21/605795621.db2.gz OHOFZXHLOTZHQF-UHFFFAOYSA-N -1 0 311.346 -0.416 20 0 DBADRM O=C([O-])N[C@H](CNC(=S)NCCN1CCOCC1)C1CC1 ZINC000834150471 605795716 /nfs/dbraw/zinc/79/57/16/605795716.db2.gz NIDIVGOTYTYHGC-LLVKDONJSA-N -1 0 316.427 -0.171 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@@H](O)C1CCOCC1 ZINC000833806336 605797700 /nfs/dbraw/zinc/79/77/00/605797700.db2.gz DEHSQESCZJKSOI-GXSJLCMTSA-N -1 0 303.359 -0.023 20 0 DBADRM COCCc1cc(NC(=O)[C@@H]2COCCN2C(=O)[O-])n(C)n1 ZINC000829023777 605803862 /nfs/dbraw/zinc/80/38/62/605803862.db2.gz GMUYATAHMCUQRQ-JTQLQIEISA-N -1 0 312.326 -0.074 20 0 DBADRM C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)[O-] ZINC000819883078 605807695 /nfs/dbraw/zinc/80/76/95/605807695.db2.gz NDTJQTXNCYYZKB-MRVPVSSYSA-N -1 0 315.351 -0.323 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCS[C@H]2COCC[C@@H]21 ZINC000831852193 605808330 /nfs/dbraw/zinc/80/83/30/605808330.db2.gz LYLFXDITISJTJN-YTWAJWBKSA-N -1 0 316.379 -0.168 20 0 DBADRM CS[C@H](CO)[C@@H](C)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829711121 605809642 /nfs/dbraw/zinc/80/96/42/605809642.db2.gz SHPFRNQSFVXCMM-OPRDCNLKSA-N -1 0 306.384 -0.016 20 0 DBADRM Cc1oc(C(=O)NC[C@H](C)CNC(=O)[O-])cc1S(N)(=O)=O ZINC000833936509 605812357 /nfs/dbraw/zinc/81/23/57/605812357.db2.gz YPOMCXYVJOARRI-LURJTMIESA-N -1 0 319.339 -0.131 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)CCCN1C(=O)CNC1=O ZINC000833809012 605818350 /nfs/dbraw/zinc/81/83/50/605818350.db2.gz IAVOIFMKHRXJFH-MRVPVSSYSA-N -1 0 300.315 -0.662 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)NCCNC(=O)c2ccn[nH]2)o1 ZINC000834248933 605818801 /nfs/dbraw/zinc/81/88/01/605818801.db2.gz LHQGJHXKLIIHQD-UHFFFAOYSA-N -1 0 321.293 -0.070 20 0 DBADRM CCc1ncc(NC(=O)C(=O)NC[C@H](C)CNC(=O)[O-])cn1 ZINC000833867094 605819887 /nfs/dbraw/zinc/81/98/87/605819887.db2.gz QVDXJDCGCLOYNG-QMMMGPOBSA-N -1 0 309.326 -0.003 20 0 DBADRM C[C@@H](OC(=O)C[C@H]1CSCCN1C(=O)[O-])C(=O)NC(N)=O ZINC000825585085 605821121 /nfs/dbraw/zinc/82/11/21/605821121.db2.gz HWTHEZGQYPCIAB-RQJHMYQMSA-N -1 0 319.339 -0.402 20 0 DBADRM O=C([O-])N1CC(CNC(=O)N2CCN3C(=O)OCC[C@H]3C2)C1 ZINC000834068766 605826073 /nfs/dbraw/zinc/82/60/73/605826073.db2.gz YIGIZAUOQHZDEJ-JTQLQIEISA-N -1 0 312.326 -0.168 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)CCC[C@]1(C)NC(=O)NC1=O ZINC000833808026 605826906 /nfs/dbraw/zinc/82/69/06/605826906.db2.gz ALBCJRCPGVGNGX-SDBXPKJASA-N -1 0 314.342 -0.225 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)CCC[C@@]1(C)NC(=O)NC1=O ZINC000833808024 605827181 /nfs/dbraw/zinc/82/71/81/605827181.db2.gz ALBCJRCPGVGNGX-ISVAXAHUSA-N -1 0 314.342 -0.225 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)CCSc1nnnn1C ZINC000833810824 605828792 /nfs/dbraw/zinc/82/87/92/605828792.db2.gz SULOLRAPZUNCEI-ZETCQYMHSA-N -1 0 302.360 -0.288 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000833808638 605830231 /nfs/dbraw/zinc/83/02/31/605830231.db2.gz FITYKSVZFPWCIQ-ZJUUUORDSA-N -1 0 321.399 -0.875 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000833808636 605830278 /nfs/dbraw/zinc/83/02/78/605830278.db2.gz FITYKSVZFPWCIQ-UWVGGRQHSA-N -1 0 321.399 -0.875 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000834020489 605851953 /nfs/dbraw/zinc/85/19/53/605851953.db2.gz BPTQBYSLFJVLBC-GDPRMGEGSA-N -1 0 311.338 -0.773 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000834020494 605852001 /nfs/dbraw/zinc/85/20/01/605852001.db2.gz BPTQBYSLFJVLBC-INTQDDNPSA-N -1 0 311.338 -0.773 20 0 DBADRM O=C([O-])N1CCC2(C[C@H]2C(=O)NC[C@@H]2CN3CCN2CC3)CC1 ZINC000834035911 605852630 /nfs/dbraw/zinc/85/26/30/605852630.db2.gz AFSRTFHEYYVAMD-OLZOCXBDSA-N -1 0 322.409 -0.118 20 0 DBADRM C[C@]1(C(=O)OCCNS(C)(=O)=O)CCCN(C(=O)[O-])C1 ZINC000833823038 605857817 /nfs/dbraw/zinc/85/78/17/605857817.db2.gz SUNJEZQXZPVWHG-NSHDSACASA-N -1 0 308.356 -0.141 20 0 DBADRM O=C([O-])NCC1(C(=O)NCCN2CCNC(=O)C2)CCCC1 ZINC000834205993 605860668 /nfs/dbraw/zinc/86/06/68/605860668.db2.gz GNOCXOKRGCMFJL-UHFFFAOYSA-N -1 0 312.370 -0.638 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H](OC(F)F)C1 ZINC000834192791 605862228 /nfs/dbraw/zinc/86/22/28/605862228.db2.gz BFKRVJFKHFCPPT-ZETCQYMHSA-N -1 0 309.269 -0.400 20 0 DBADRM Cn1cc(C(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000830989525 605865681 /nfs/dbraw/zinc/86/56/81/605865681.db2.gz PPZVPRGDCMJVEL-SECBINFHSA-N -1 0 322.321 -0.157 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)c1cc(C(=O)[O-])no1 ZINC000833430463 605867039 /nfs/dbraw/zinc/86/70/39/605867039.db2.gz DDXWGGMABWTMEA-UHFFFAOYSA-N -1 0 319.339 -0.180 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCCN2CCCS2(=O)=O)on1 ZINC000833777746 605870291 /nfs/dbraw/zinc/87/02/91/605870291.db2.gz CYRSGAIXEGLCDM-UHFFFAOYSA-N -1 0 317.323 -0.472 20 0 DBADRM O=C([O-])Nc1ccccc1C(=O)NCCN1CCNC(=O)C1 ZINC000834269992 605879923 /nfs/dbraw/zinc/87/99/23/605879923.db2.gz IZGRTYVEIIXASH-UHFFFAOYSA-N -1 0 306.322 -0.062 20 0 DBADRM CS(=O)(=O)CCNC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000829674323 605885698 /nfs/dbraw/zinc/88/56/98/605885698.db2.gz PJMGMZLIVXEQHG-SNVBAGLBSA-N -1 0 319.383 -0.043 20 0 DBADRM NS(=O)(=O)CCCNC(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833986572 605894588 /nfs/dbraw/zinc/89/45/88/605894588.db2.gz SHLDPEDVXKEHJR-VIFPVBQESA-N -1 0 319.383 -0.439 20 0 DBADRM NS(=O)(=O)CCCNC(=O)[C@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833986569 605894931 /nfs/dbraw/zinc/89/49/31/605894931.db2.gz SHLDPEDVXKEHJR-SECBINFHSA-N -1 0 319.383 -0.439 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NCC[C@@H](C)NC(=O)[O-])CCO1 ZINC000833876570 605908765 /nfs/dbraw/zinc/90/87/65/605908765.db2.gz IFFXRPSRSIUYAE-BDAKNGLRSA-N -1 0 302.331 -0.811 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)N[C@H](CNC(=O)[O-])C2CC2)CCO1 ZINC000833879054 605910799 /nfs/dbraw/zinc/91/07/99/605910799.db2.gz WOZQTCKFAMOVJS-NXEZZACHSA-N -1 0 314.342 -0.811 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NC[C@@H](NC(=O)[O-])C2CC2)CCO1 ZINC000833879113 605911645 /nfs/dbraw/zinc/91/16/45/605911645.db2.gz WVROSJUJYOMWCX-ZJUUUORDSA-N -1 0 314.342 -0.811 20 0 DBADRM NC(=O)COCCNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1 ZINC000833984622 605912428 /nfs/dbraw/zinc/91/24/28/605912428.db2.gz GXXZTIPGMWPIEZ-UHFFFAOYSA-N -1 0 321.333 -0.590 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)Cc1nc2ncccn2n1)C1CC1 ZINC000834140444 605914796 /nfs/dbraw/zinc/91/47/96/605914796.db2.gz RLJHHSIHMISPEQ-VIFPVBQESA-N -1 0 304.310 -0.171 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)C1CC1 ZINC000834141135 605916226 /nfs/dbraw/zinc/91/62/26/605916226.db2.gz UUWFLMSOWDPCMI-SECBINFHSA-N -1 0 310.310 -0.911 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCCCNC(=O)[O-] ZINC000833897587 605920111 /nfs/dbraw/zinc/92/01/11/605920111.db2.gz LXHGSODVHFBXQB-UHFFFAOYSA-N -1 0 310.310 -0.594 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000833897098 605921609 /nfs/dbraw/zinc/92/16/09/605921609.db2.gz DYYXYNBTMZYRNG-VIFPVBQESA-N -1 0 324.337 -0.253 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)ccc1=O ZINC000833948700 605921771 /nfs/dbraw/zinc/92/17/71/605921771.db2.gz CJYVCFVYUMBTJE-VIFPVBQESA-N -1 0 308.294 -0.808 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@H](CNC(=O)[O-])C2CC2)ccc1=O ZINC000833951383 605922339 /nfs/dbraw/zinc/92/23/39/605922339.db2.gz UPROHNGYXBRTKL-SNVBAGLBSA-N -1 0 322.321 -0.514 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000834117399 605928502 /nfs/dbraw/zinc/92/85/02/605928502.db2.gz QZINLGTYZSCFGV-NEPJUHHUSA-N -1 0 323.353 -0.105 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)c2ccc(CNC(=O)[O-])o2)CCO1 ZINC000833874857 605929564 /nfs/dbraw/zinc/92/95/64/605929564.db2.gz BMGWIAGQSOIOIR-JTQLQIEISA-N -1 0 311.294 -0.366 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)CC[C@@H]2CCCN2C(=O)[O-])CCO1 ZINC000833879774 605931166 /nfs/dbraw/zinc/93/11/66/605931166.db2.gz ZTRDIPUGVJNHPD-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NN1Cc2ccccc2C1=O ZINC000834044678 605935428 /nfs/dbraw/zinc/93/54/28/605935428.db2.gz HCSFGLOBLRGWTK-GXSJLCMTSA-N -1 0 305.290 -0.213 20 0 DBADRM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000834217434 605937658 /nfs/dbraw/zinc/93/76/58/605937658.db2.gz UZUPZJZQJJZATK-CIUDSAMLSA-N -1 0 312.326 -0.473 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)C1CC1 ZINC000834146531 605939053 /nfs/dbraw/zinc/93/90/53/605939053.db2.gz OHUUMISZGLVNBA-ZJUUUORDSA-N -1 0 308.342 -0.062 20 0 DBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)C[C@@H]1NC(=O)NC1=O ZINC000833871250 605939866 /nfs/dbraw/zinc/93/98/66/605939866.db2.gz WLZVDIOLJSPVMD-ZETCQYMHSA-N -1 0 300.315 -0.663 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)N1CCN2C(=O)NC[C@@H]2C1)C1CC1 ZINC000834144996 605944748 /nfs/dbraw/zinc/94/47/48/605944748.db2.gz NMZACDGCWWENIT-NXEZZACHSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000740584869 605948583 /nfs/dbraw/zinc/94/85/83/605948583.db2.gz AICPVAPQAPAYNX-VIFPVBQESA-N -1 0 317.305 -0.340 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000740290627 605950112 /nfs/dbraw/zinc/95/01/12/605950112.db2.gz QSWVFLINYIIELQ-ZETCQYMHSA-N -1 0 316.339 -0.845 20 0 DBADRM CN(CCCNC(=O)CN(C(=O)[O-])C1CC1)S(C)(=O)=O ZINC000833872813 605961344 /nfs/dbraw/zinc/96/13/44/605961344.db2.gz OLUJUODFJZWXIC-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NCCCN2CCNC(=O)C2)C1 ZINC000834171942 605967334 /nfs/dbraw/zinc/96/73/34/605967334.db2.gz YLJUOZWTIATFRK-WDEREUQCSA-N -1 0 312.370 -0.639 20 0 DBADRM O=C([O-])N(CC(=O)N1CCO[C@H](Cn2cncn2)C1)C1CC1 ZINC000833999214 605968411 /nfs/dbraw/zinc/96/84/11/605968411.db2.gz PWVVGHUREHFJRJ-NSHDSACASA-N -1 0 309.326 -0.352 20 0 DBADRM O=C([O-])NCC(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000833279607 605968483 /nfs/dbraw/zinc/96/84/83/605968483.db2.gz CBOCRGGBHPMSAO-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM Cc1noc(CNC(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])n1 ZINC000833933734 605968659 /nfs/dbraw/zinc/96/86/59/605968659.db2.gz NDEIGMDCZFVNOI-SECBINFHSA-N -1 0 312.330 -0.529 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCN3C(=O)OCC[C@@H]3C2)C1 ZINC000834070411 605972684 /nfs/dbraw/zinc/97/26/84/605972684.db2.gz XYKBRHUVWGMKRO-SECBINFHSA-N -1 0 313.310 -0.582 20 0 DBADRM CNC(=O)CCCN(C)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000833875232 605976029 /nfs/dbraw/zinc/97/60/29/605976029.db2.gz LXPDWHBZIULTFG-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM Cn1c(=O)oc2c1cccc2NC(=O)C(=O)NCCNC(=O)[O-] ZINC000833940484 605978848 /nfs/dbraw/zinc/97/88/48/605978848.db2.gz NSCZISUMFGWSJZ-UHFFFAOYSA-N -1 0 322.277 -0.546 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000833982199 605980396 /nfs/dbraw/zinc/98/03/96/605980396.db2.gz ZQFDIMUQHKJMSO-NWDGAFQWSA-N -1 0 320.349 -0.016 20 0 DBADRM O=C(CN(C(=O)[O-])C1CC1)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000834000577 605985185 /nfs/dbraw/zinc/98/51/85/605985185.db2.gz XVNSXMBNSYRTHG-CLAHSXSESA-N -1 0 324.337 -0.377 20 0 DBADRM N=C1NC(=O)C(CC(=O)NC[C@H](NC(=O)[O-])C2CC2)S1 ZINC000833986123 605994341 /nfs/dbraw/zinc/99/43/41/605994341.db2.gz ISITUCMFQBMLCV-BQBZGAKWSA-N -1 0 300.340 -0.295 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCC[C@@H](N3CCCC3=O)C2)C1 ZINC000834157655 605994612 /nfs/dbraw/zinc/99/46/12/605994612.db2.gz KLWIZWHWHUCCLK-VXGBXAGGSA-N -1 0 324.381 -0.101 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCN(CC(F)F)CC2)C1 ZINC000834160882 605995361 /nfs/dbraw/zinc/99/53/61/605995361.db2.gz XIMSAZXVBJYWSS-VIFPVBQESA-N -1 0 306.313 -0.305 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCN(c3cccnn3)CC2)C1 ZINC000834159936 605995400 /nfs/dbraw/zinc/99/54/00/605995400.db2.gz QXWFFQANSUVZHN-NSHDSACASA-N -1 0 320.353 -0.575 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CC[C@@H](N3CCOCC3)C2)C1 ZINC000834157216 605995790 /nfs/dbraw/zinc/99/57/90/605995790.db2.gz HXQVLQAJYPKGLY-VXGBXAGGSA-N -1 0 312.370 -0.781 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCN3C(=O)OCC[C@@H]3C2)C1 ZINC000834156945 605997450 /nfs/dbraw/zinc/99/74/50/605997450.db2.gz DQDPBCULBCFQFK-NXEZZACHSA-N -1 0 312.326 -0.661 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cn1 ZINC000834278510 606000729 /nfs/dbraw/zinc/00/07/29/606000729.db2.gz CCWXBAUVTFOFEM-SSDOTTSWSA-N -1 0 314.323 -0.269 20 0 DBADRM NS(=O)(=O)CCCOC(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833985994 606009832 /nfs/dbraw/zinc/00/98/32/606009832.db2.gz DKHLBHABINPTCY-UHFFFAOYSA-N -1 0 304.284 -0.598 20 0 DBADRM C[C@H]1[C@H](C)N(C(=O)[O-])CCN1Cn1nc2cnccn2c1=O ZINC000833827117 606012221 /nfs/dbraw/zinc/01/22/21/606012221.db2.gz KCNAIEQJRHIAQE-UWVGGRQHSA-N -1 0 306.326 -0.079 20 0 DBADRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCCCS(N)(=O)=O ZINC000833827152 606018073 /nfs/dbraw/zinc/01/80/73/606018073.db2.gz VWRBQLFJSABLJV-BXKDBHETSA-N -1 0 321.399 -0.002 20 0 DBADRM NS(=O)(=O)CCCNC(=O)[C@H](CC(F)F)NC(=O)[O-] ZINC000833986039 606018302 /nfs/dbraw/zinc/01/83/02/606018302.db2.gz FUWPCLIEFBANLS-YFKPBYRVSA-N -1 0 303.287 -0.927 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)NCC(=O)N2CCOCC2)C1 ZINC000834168595 606024029 /nfs/dbraw/zinc/02/40/29/606024029.db2.gz OZZASEKXKCQPQY-QWRGUYRKSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)cc1 ZINC000834262678 606028771 /nfs/dbraw/zinc/02/87/71/606028771.db2.gz NFJIWJZCKKCINW-AWEZNQCLSA-N -1 0 323.305 -0.017 20 0 DBADRM CCS(=O)(=O)CCNC(=O)[C@H](CC(F)F)NC(=O)[O-] ZINC000833863792 606034069 /nfs/dbraw/zinc/03/40/69/606034069.db2.gz QRTHJHZWHGBJNO-LURJTMIESA-N -1 0 302.299 -0.171 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)N1CCS(=O)(=O)CC1 ZINC000834131160 606035550 /nfs/dbraw/zinc/03/55/50/606035550.db2.gz IZCGRTSCBFLGAT-LURJTMIESA-N -1 0 300.283 -0.465 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)NC[C@@H]2CCCS2(=O)=O)cn1 ZINC000834281047 606035826 /nfs/dbraw/zinc/03/58/26/606035826.db2.gz VYWRJHPRLZANMB-ZETCQYMHSA-N -1 0 314.323 -0.127 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)NCCCN1C(=O)CCC1=O ZINC000834130953 606040122 /nfs/dbraw/zinc/04/01/22/606040122.db2.gz QAXKNICHZLXGTG-SSDOTTSWSA-N -1 0 321.280 -0.067 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)NCCCN1C(=O)CNC1=O ZINC000834132262 606042497 /nfs/dbraw/zinc/04/24/97/606042497.db2.gz YDNFGHYQWXACIO-ZCFIWIBFSA-N -1 0 322.268 -0.664 20 0 DBADRM C[C@H]1[C@H](C)N(C(=O)[O-])CCN1CC1(O)CCS(=O)(=O)CC1 ZINC000833830318 606045766 /nfs/dbraw/zinc/04/57/66/606045766.db2.gz VRLFIGQOZOALIH-QWRGUYRKSA-N -1 0 320.411 -0.001 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](CC(F)F)NC(=O)[O-])C1 ZINC000833986248 606046185 /nfs/dbraw/zinc/04/61/85/606046185.db2.gz LVMMGDAVBRQCTH-NTSWFWBYSA-N -1 0 315.298 -0.833 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)cn1 ZINC000834277334 606059458 /nfs/dbraw/zinc/05/94/58/606059458.db2.gz AJLAHKQGZFFVBG-SSDOTTSWSA-N -1 0 306.282 -0.584 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)NCc1nnnn1C1CC1 ZINC000834135891 606062111 /nfs/dbraw/zinc/06/21/11/606062111.db2.gz OXGVDOTYUWROKF-LURJTMIESA-N -1 0 304.257 -0.084 20 0 DBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)CNC(=O)[O-])C1=O ZINC000833955559 606066002 /nfs/dbraw/zinc/06/60/02/606066002.db2.gz JYZQARZDLGWOFI-VIFPVBQESA-N -1 0 309.326 -0.705 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@H](CC(F)F)NC(=O)[O-])O1 ZINC000833982469 606069916 /nfs/dbraw/zinc/06/99/16/606069916.db2.gz WDOBRVNGKLLZBF-VQVTYTSYSA-N -1 0 309.269 -0.573 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)[C@H](CC(F)F)NC(=O)[O-])cn1 ZINC000833946683 606072899 /nfs/dbraw/zinc/07/28/99/606072899.db2.gz NWIVPLVKDRDUOH-JGVFFNPUSA-N -1 0 306.269 -0.139 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000834133337 606074843 /nfs/dbraw/zinc/07/48/43/606074843.db2.gz OWMHCJDRRJRCEZ-RQJHMYQMSA-N -1 0 314.310 -0.029 20 0 DBADRM NC(=O)CNC(=S)N1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1 ZINC000833985854 606076384 /nfs/dbraw/zinc/07/63/84/606076384.db2.gz YUIGDFCXCNPPQP-DJLDLDEBSA-N -1 0 300.384 -0.286 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000834133327 606078477 /nfs/dbraw/zinc/07/84/77/606078477.db2.gz OSOPARRSHONDRW-DTWKUNHWSA-N -1 0 306.313 -0.606 20 0 DBADRM NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CCOC1CN(C(=O)[O-])C1 ZINC000833979910 606098723 /nfs/dbraw/zinc/09/87/23/606098723.db2.gz FGQTYPLNKAHPQD-MNOVXSKESA-N -1 0 313.354 -0.084 20 0 DBADRM O=C(CCOC1CN(C(=O)[O-])C1)OCCN1CCOC1=O ZINC000833994315 606102931 /nfs/dbraw/zinc/10/29/31/606102931.db2.gz QOJFBBTXXYJWOL-UHFFFAOYSA-N -1 0 302.283 -0.249 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CCC(C)(C)O)c1 ZINC000821667068 606399313 /nfs/dbraw/zinc/39/93/13/606399313.db2.gz SKPRRGIFMFKEFE-UHFFFAOYSA-N -1 0 307.310 -0.024 20 0 DBADRM C[C@H]1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@H]1C ZINC000820770216 606417587 /nfs/dbraw/zinc/41/75/87/606417587.db2.gz ZOTYMCNIEJUNAR-OCAPTIKFSA-N -1 0 305.342 -0.644 20 0 DBADRM C[C@@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@@H]1C ZINC000820727406 606423938 /nfs/dbraw/zinc/42/39/38/606423938.db2.gz LTBHIXXYMCHAOU-HTQZYQBOSA-N -1 0 305.342 -0.501 20 0 DBADRM CCOC(=O)/C=C/Cn1c(=O)c(-c2nnn[n-]2)cn(CC)c1=O ZINC000821325383 606693356 /nfs/dbraw/zinc/69/33/56/606693356.db2.gz DZZCVMDZOSEJIW-AATRIKPKSA-N -1 0 320.309 -0.671 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@]2(C)CCCO2)n(C)c1=O ZINC000822600589 606725189 /nfs/dbraw/zinc/72/51/89/606725189.db2.gz OARAEUFDISUGMD-ZDUSSCGKSA-N -1 0 321.341 -0.755 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCCCC(C)=O)c1=O ZINC000821565170 606820085 /nfs/dbraw/zinc/82/00/85/606820085.db2.gz HAAPHSKKAGCYPI-UHFFFAOYSA-N -1 0 306.326 -0.031 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1ccccc1-c1nn[nH]n1)C(=O)[O-] ZINC000820274632 606834194 /nfs/dbraw/zinc/83/41/94/606834194.db2.gz JXSZOAFFOIHIGT-ZETCQYMHSA-N -1 0 311.323 -0.134 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCCCCCO)c1=O ZINC000821565118 607160814 /nfs/dbraw/zinc/16/08/14/607160814.db2.gz DYRRRMFZSOKMAK-UHFFFAOYSA-N -1 0 308.342 -0.237 20 0 DBADRM CN(C[C@@H]1CCCCO1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821596588 607209686 /nfs/dbraw/zinc/20/96/86/607209686.db2.gz OSZAKJCMUGVYHF-VIFPVBQESA-N -1 0 306.330 -0.514 20 0 DBADRM COC(=O)[C@@H]1CCCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821655030 607210464 /nfs/dbraw/zinc/21/04/64/607210464.db2.gz CUJSZVKECKNEMM-QMMMGPOBSA-N -1 0 320.313 -0.988 20 0 DBADRM CN(CC(=O)OC(C)(C)C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821593665 607212538 /nfs/dbraw/zinc/21/25/38/607212538.db2.gz DNPXATFMGLDOCG-UHFFFAOYSA-N -1 0 322.329 -0.742 20 0 DBADRM CCc1nc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)cs1 ZINC000821509976 607214871 /nfs/dbraw/zinc/21/48/71/607214871.db2.gz RHOJIGJTPRKWAT-UHFFFAOYSA-N -1 0 319.354 -0.207 20 0 DBADRM CO[C@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(F)(F)F ZINC000821676777 607216855 /nfs/dbraw/zinc/21/68/55/607216855.db2.gz GZAWMHZMWSOLAG-RXMQYKEDSA-N -1 0 320.235 -0.848 20 0 DBADRM C[C@]1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCC[C@H]1O ZINC000820613182 607221231 /nfs/dbraw/zinc/22/12/31/607221231.db2.gz VVKJONHVYTURQW-NOZJJQNGSA-N -1 0 320.357 -0.484 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCCc2[nH]ccc21 ZINC000823127009 607222062 /nfs/dbraw/zinc/22/20/62/607222062.db2.gz QQDYGQHXZHXTIG-SNVBAGLBSA-N -1 0 313.325 -0.020 20 0 DBADRM CC(C)C[C@@H](CCO)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820055626 607223555 /nfs/dbraw/zinc/22/35/55/607223555.db2.gz IVAFOPHBIPHOII-SNVBAGLBSA-N -1 0 322.373 -0.381 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000823127088 607224014 /nfs/dbraw/zinc/22/40/14/607224014.db2.gz SLDYKGMNFFOLHW-BBBLOLIVSA-N -1 0 318.341 -0.468 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H](O)c1ccccc1 ZINC000823126692 607224201 /nfs/dbraw/zinc/22/42/01/607224201.db2.gz LKJPXBAUMWXPRF-SNVBAGLBSA-N -1 0 314.309 -0.692 20 0 DBADRM CC1=CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC1 ZINC000824858641 607903644 /nfs/dbraw/zinc/90/36/44/607903644.db2.gz LIHADZNEROQEEI-UHFFFAOYSA-N -1 0 303.326 -0.580 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(SC2CCOCC2)n(C)c1=O ZINC000826356565 607905650 /nfs/dbraw/zinc/90/56/50/607905650.db2.gz WMMHATRNFWIFKS-UHFFFAOYSA-N -1 0 324.366 -0.465 20 0 DBADRM CC[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC000825135177 607912766 /nfs/dbraw/zinc/91/27/66/607912766.db2.gz ZSLTXHYOEPDOTI-IUCAKERBSA-N -1 0 306.330 -0.468 20 0 DBADRM C[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)c1cn[nH]c1 ZINC000824650300 607935478 /nfs/dbraw/zinc/93/54/78/607935478.db2.gz QOSUKWFVJQWSCL-LURJTMIESA-N -1 0 317.313 -0.840 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCOC[C@@H]1C1CC1 ZINC000826425261 608040064 /nfs/dbraw/zinc/04/00/64/608040064.db2.gz WINISJBEPQIVFH-SECBINFHSA-N -1 0 304.314 -0.904 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cccc(O)c1F ZINC000826425400 608087204 /nfs/dbraw/zinc/08/72/04/608087204.db2.gz BQISTFHQYPVUSL-UHFFFAOYSA-N -1 0 304.245 -0.058 20 0 DBADRM CCCc1nc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)no1 ZINC000825353321 608095464 /nfs/dbraw/zinc/09/54/64/608095464.db2.gz VECJEPPUGGDHKO-UHFFFAOYSA-N -1 0 318.297 -0.889 20 0 DBADRM CCOC(=O)CCCn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC000825512088 608095512 /nfs/dbraw/zinc/09/55/12/608095512.db2.gz SPLTUEZPZUTLQZ-UHFFFAOYSA-N -1 0 308.298 -0.930 20 0 DBADRM Cc1nc(C)c(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)s1 ZINC000826324638 608095947 /nfs/dbraw/zinc/09/59/47/608095947.db2.gz ZEHGBEVNBJIFRC-UHFFFAOYSA-N -1 0 319.350 -0.151 20 0 DBADRM O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000826470213 608202196 /nfs/dbraw/zinc/20/21/96/608202196.db2.gz HZLKIXJQQPBQIO-ZETCQYMHSA-N -1 0 314.313 -0.272 20 0 DBADRM O=C(NCc1cccc(-c2nn[nH]n2)c1)c1n[nH]c(=O)[n-]c1=O ZINC000826442872 608217983 /nfs/dbraw/zinc/21/79/83/608217983.db2.gz NRGNWAXOTUUXJC-UHFFFAOYSA-N -1 0 314.265 -0.607 20 0 DBADRM C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)[N-]OCC(N)=O ZINC000824747223 608279820 /nfs/dbraw/zinc/27/98/20/608279820.db2.gz ZGPBWQVVPKJMKE-ZETCQYMHSA-N -1 0 306.282 -0.833 20 0 DBADRM CCn1cnc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[nH]n2)c1 ZINC000825805219 608305365 /nfs/dbraw/zinc/30/53/65/608305365.db2.gz XPLYUKQDDREIMG-UHFFFAOYSA-N -1 0 309.315 -0.393 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)OCc1n[nH]c(=O)[n-]1 ZINC000826419194 608435668 /nfs/dbraw/zinc/43/56/68/608435668.db2.gz NASFJLZJTVCIDD-UHFFFAOYSA-N -1 0 317.265 -0.187 20 0 DBADRM C[C@H](O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820480864 608560849 /nfs/dbraw/zinc/56/08/49/608560849.db2.gz PXSHPJOXXBTFFI-YFKPBYRVSA-N -1 0 319.293 -0.196 20 0 DBADRM C[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000824892946 608801422 /nfs/dbraw/zinc/80/14/22/608801422.db2.gz OAFBLQWWDMJFAP-SFYZADRCSA-N -1 0 321.341 -0.757 20 0 DBADRM Cn1[n-]nnc1=NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1 ZINC000826366875 609167025 /nfs/dbraw/zinc/16/70/25/609167025.db2.gz BOONIGFRGHZNHZ-UHFFFAOYSA-N -1 0 323.324 -0.186 20 0 DBADRM Cc1nc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)no1 ZINC000826327346 609338549 /nfs/dbraw/zinc/33/85/49/609338549.db2.gz DLXLQFSGSFOVBA-UHFFFAOYSA-N -1 0 308.283 -0.246 20 0 DBADRM CN(C[C@H]1CCCC[C@H]1O)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825908831 609402992 /nfs/dbraw/zinc/40/29/92/609402992.db2.gz MVMQKNSOUCQYHL-NXEZZACHSA-N -1 0 320.357 -0.532 20 0 DBADRM C[C@H]1OCC[C@@]1(C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825012612 609593581 /nfs/dbraw/zinc/59/35/81/609593581.db2.gz KGIKUSUUEQQFKI-FUXBKTLASA-N -1 0 321.341 -0.757 20 0 DBADRM O=C(OCc1n[nH]c(=O)[n-]1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826467853 609628900 /nfs/dbraw/zinc/62/89/00/609628900.db2.gz OQUGAOKBZQXMBZ-SECBINFHSA-N -1 0 317.265 -0.533 20 0 DBADRM CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000976924454 665406813 /nfs/dbraw/zinc/40/68/13/665406813.db2.gz YVGGSNMCTBTWIO-VROVMSAKSA-N -1 0 309.326 -0.938 20 0 DBADRM CCOC(=O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000049608169 663805805 /nfs/dbraw/zinc/80/58/05/663805805.db2.gz DDRRDPIOGSKFKI-UHFFFAOYSA-N -1 0 304.324 -0.093 20 0 DBADRM CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000976934096 665407242 /nfs/dbraw/zinc/40/72/42/665407242.db2.gz ZRBAXAQJTTXLPU-MBTKJCJQSA-N -1 0 323.353 -0.692 20 0 DBADRM CC(=O)N(C)C[C@H]1CCN1C(=O)c1c[n-]n2c1nccc2=O ZINC000977232903 665451081 /nfs/dbraw/zinc/45/10/81/665451081.db2.gz XMLDHAIAHASFSG-SNVBAGLBSA-N -1 0 303.322 -0.285 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1CC1 ZINC000977238334 665453477 /nfs/dbraw/zinc/45/34/77/665453477.db2.gz FVYBYVZIEGMJSG-QMMMGPOBSA-N -1 0 307.310 -0.634 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001027517942 665466264 /nfs/dbraw/zinc/46/62/64/665466264.db2.gz LYQWVVYIYSOICC-SECBINFHSA-N -1 0 320.357 -0.327 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC000977489477 665476676 /nfs/dbraw/zinc/47/66/76/665476676.db2.gz WYVURZCMWIUSTP-DTWKUNHWSA-N -1 0 322.369 -0.885 20 0 DBADRM CC(C)[C@@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663024015 665500798 /nfs/dbraw/zinc/50/07/98/665500798.db2.gz LKXBNRHJMPVHCG-RKDXNWHRSA-N -1 0 307.372 -0.873 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)[nH]n1 ZINC000977863605 665504385 /nfs/dbraw/zinc/50/43/85/665504385.db2.gz KFVTXAYNVJFYEN-OWUUHHOZSA-N -1 0 317.353 -0.350 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cocn1 ZINC000977932954 665507380 /nfs/dbraw/zinc/50/73/80/665507380.db2.gz KYEWSFDHORWNAX-PSVAKVPMSA-N -1 0 304.310 -0.394 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2[C@H]3CN(Cc4cnon4)C[C@H]32)c1[O-] ZINC000977979023 665509180 /nfs/dbraw/zinc/50/91/80/665509180.db2.gz KEKNGTDSYWQEQT-RTCCRHLQSA-N -1 0 318.337 -0.085 20 0 DBADRM CCCC(=O)N1CC[C@@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978069872 665516751 /nfs/dbraw/zinc/51/67/51/665516751.db2.gz IYNPNKHIVIUFHP-MRVPVSSYSA-N -1 0 309.326 -0.244 20 0 DBADRM CC(C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000978124564 665520588 /nfs/dbraw/zinc/52/05/88/665520588.db2.gz QREHZJZDKXWBBW-SNVBAGLBSA-N -1 0 322.365 -0.185 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@]12C[C@H]1COC2 ZINC000978218031 665527930 /nfs/dbraw/zinc/52/79/30/665527930.db2.gz FFLVZMQXTFMNBR-CNGWGNFVSA-N -1 0 319.365 -0.659 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001027594975 665527011 /nfs/dbraw/zinc/52/70/11/665527011.db2.gz RNRHFLJBBZRSQJ-NSHDSACASA-N -1 0 319.369 -0.101 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000314014009 665530142 /nfs/dbraw/zinc/53/01/42/665530142.db2.gz VRDZXXOSJODUMZ-UWVGGRQHSA-N -1 0 321.399 -0.322 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001027625977 665540012 /nfs/dbraw/zinc/54/00/12/665540012.db2.gz YPAINTUNFXWCFS-MRVPVSSYSA-N -1 0 307.314 -0.370 20 0 DBADRM CC(=O)NC[C@H]1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000978481845 665540286 /nfs/dbraw/zinc/54/02/86/665540286.db2.gz ZRQKKEDLOMCEOE-AOOOYVTPSA-N -1 0 318.337 -0.898 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)c1[O-] ZINC000978718084 665562198 /nfs/dbraw/zinc/56/21/98/665562198.db2.gz ABGMTHATHNXLDZ-OCAPTIKFSA-N -1 0 319.325 -0.520 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cnon1 ZINC000978881821 665579311 /nfs/dbraw/zinc/57/93/11/665579311.db2.gz VUBVBDIJXDBLBO-WHUPJOBBSA-N -1 0 305.298 -0.999 20 0 DBADRM Cc1conc1C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000978954697 665587261 /nfs/dbraw/zinc/58/72/61/665587261.db2.gz PGTMKNPFOKCVAB-OWUUHHOZSA-N -1 0 318.337 -0.085 20 0 DBADRM O=C(c1ccco1)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001009904975 665583998 /nfs/dbraw/zinc/58/39/98/665583998.db2.gz WMUWFIRKZPESGK-UHFFFAOYSA-N -1 0 319.277 -0.526 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1cnns1 ZINC001027771582 665632588 /nfs/dbraw/zinc/63/25/88/665632588.db2.gz AYRKVMVCTUUPQR-SSDOTTSWSA-N -1 0 309.355 -0.244 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001027774560 665633924 /nfs/dbraw/zinc/63/39/24/665633924.db2.gz GKGULOOMBWSUJS-SECBINFHSA-N -1 0 305.342 -0.064 20 0 DBADRM Cn1nccc1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027783505 665639763 /nfs/dbraw/zinc/63/97/63/665639763.db2.gz DGYDQZATJBQKAP-SECBINFHSA-N -1 0 305.342 -0.362 20 0 DBADRM CC(C)CC(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001009958819 665640531 /nfs/dbraw/zinc/64/05/31/665640531.db2.gz FOHVYAZFWYBZQM-UHFFFAOYSA-N -1 0 322.365 -0.184 20 0 DBADRM CCC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000979554736 665668061 /nfs/dbraw/zinc/66/80/61/665668061.db2.gz YQHIVASJGARWOG-CIUDSAMLSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](NC(=O)c3nnc[nH]3)C2)c1[O-] ZINC000979651589 665676396 /nfs/dbraw/zinc/67/63/96/665676396.db2.gz WXDUPXUFMVOOCW-ZKCHVHJHSA-N -1 0 319.325 -0.520 20 0 DBADRM CC(=O)N[C@H]1C[C@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000979783035 665687959 /nfs/dbraw/zinc/68/79/59/665687959.db2.gz KQGHZSGETIXJAH-MGCOHNPYSA-N -1 0 303.322 -0.333 20 0 DBADRM CC[C@@H](C(N)=O)N1CCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001027832239 665684142 /nfs/dbraw/zinc/68/41/42/665684142.db2.gz BJOHJIIATZFHAQ-ZJUUUORDSA-N -1 0 309.370 -0.118 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2Cc2cnn(C)n2)c1[O-] ZINC001027832153 665684166 /nfs/dbraw/zinc/68/41/66/665684166.db2.gz AGDUGRKSUFFHQM-NSHDSACASA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2Cc2ncnn2C)c1[O-] ZINC001027834099 665685219 /nfs/dbraw/zinc/68/52/19/665685219.db2.gz XRYSEMXOSRXRCX-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2CC(=O)N(C)C)c1[O-] ZINC001027832660 665685920 /nfs/dbraw/zinc/68/59/20/665685920.db2.gz INNUQDCFONZZRD-SNVBAGLBSA-N -1 0 309.370 -0.294 20 0 DBADRM CC(C)=CC(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001010034449 665689154 /nfs/dbraw/zinc/68/91/54/665689154.db2.gz SUVVBDCKHLVDCJ-UHFFFAOYSA-N -1 0 307.310 -0.467 20 0 DBADRM CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]12 ZINC000979883650 665695019 /nfs/dbraw/zinc/69/50/19/665695019.db2.gz GNTGDZPIZSKMRO-KXUCPTDWSA-N -1 0 309.326 -0.938 20 0 DBADRM CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000979856822 665693377 /nfs/dbraw/zinc/69/33/77/665693377.db2.gz AYDSKJYISSZSPM-DJLDLDEBSA-N -1 0 307.310 -0.731 20 0 DBADRM CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]12 ZINC000979883656 665695232 /nfs/dbraw/zinc/69/52/32/665695232.db2.gz GNTGDZPIZSKMRO-OPRDCNLKSA-N -1 0 309.326 -0.938 20 0 DBADRM O=C(NC[C@H]1C[C@H](NC(=O)C2CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000980066251 665713000 /nfs/dbraw/zinc/71/30/00/665713000.db2.gz FAADDSWQJWBMGA-XWEPSHTISA-N -1 0 321.337 -0.293 20 0 DBADRM CN(Cc1ccon1)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000980262179 665742488 /nfs/dbraw/zinc/74/24/88/665742488.db2.gz FGVJFILVGJTHQL-JTQLQIEISA-N -1 0 322.325 -0.590 20 0 DBADRM Cc1c(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)cnn1C ZINC000314774665 665771659 /nfs/dbraw/zinc/77/16/59/665771659.db2.gz UFMLITHXAWBOHI-UHFFFAOYSA-N -1 0 317.367 -0.017 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1CCCC(=O)N1 ZINC001027954497 665780466 /nfs/dbraw/zinc/78/04/66/665780466.db2.gz PAKPYZOLDWIXRZ-NXEZZACHSA-N -1 0 322.369 -0.740 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1CCCC(=O)N1 ZINC001027954498 665780574 /nfs/dbraw/zinc/78/05/74/665780574.db2.gz PAKPYZOLDWIXRZ-VHSXEESVSA-N -1 0 322.369 -0.740 20 0 DBADRM CC(=O)NC[C@@H]1C[C@H](C)N(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001010206324 665783896 /nfs/dbraw/zinc/78/38/96/665783896.db2.gz BLASWWXSWYVZRK-WPRPVWTQSA-N -1 0 323.353 -0.412 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1cnc[nH]c1=O ZINC001027958941 665783920 /nfs/dbraw/zinc/78/39/20/665783920.db2.gz VSZSXPQLEWAELF-QMMMGPOBSA-N -1 0 319.325 -0.600 20 0 DBADRM O=C(c1cc[n+]([O-])cc1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980663789 665784417 /nfs/dbraw/zinc/78/44/17/665784417.db2.gz PGZYEKCFANUFAP-UHFFFAOYSA-N -1 0 318.337 -0.508 20 0 DBADRM CC(=O)NC[C@@H]1C[C@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001010234556 665799904 /nfs/dbraw/zinc/79/99/04/665799904.db2.gz DHJKECINGHVGTB-WPRPVWTQSA-N -1 0 308.338 -0.527 20 0 DBADRM Cn1cc(CC(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC000980820086 665801860 /nfs/dbraw/zinc/80/18/60/665801860.db2.gz CFZDSVANDITAFO-UHFFFAOYSA-N -1 0 319.369 -0.479 20 0 DBADRM Cc1ccc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC000981133791 665824087 /nfs/dbraw/zinc/82/40/87/665824087.db2.gz PWBPBAGUFBXCHQ-UHFFFAOYSA-N -1 0 317.353 -0.043 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1csnn1 ZINC001028056442 665831023 /nfs/dbraw/zinc/83/10/23/665831023.db2.gz PHIJLJXEOTXEHT-ZETCQYMHSA-N -1 0 309.355 -0.244 20 0 DBADRM NC(=O)[C@H]1CC[C@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981757174 665873042 /nfs/dbraw/zinc/87/30/42/665873042.db2.gz RVNYPJGMBZZUAY-VHSXEESVSA-N -1 0 322.369 -0.944 20 0 DBADRM O=C(c1ncc[nH]1)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC000981758350 665874352 /nfs/dbraw/zinc/87/43/52/665874352.db2.gz MHOWDRSOHBWJRF-UHFFFAOYSA-N -1 0 317.353 -0.028 20 0 DBADRM CN1CC[C@H](C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)C1=O ZINC000981790395 665875884 /nfs/dbraw/zinc/87/58/84/665875884.db2.gz UPBYGBLSYQPTRM-JTQLQIEISA-N -1 0 322.369 -0.977 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)Cn3cccn3)CC2)c1[O-] ZINC001010351243 665876593 /nfs/dbraw/zinc/87/65/93/665876593.db2.gz YHHWCFCDCBPHMT-UHFFFAOYSA-N -1 0 318.337 -0.395 20 0 DBADRM CCn1cnc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)c1 ZINC001038924026 665900553 /nfs/dbraw/zinc/90/05/53/665900553.db2.gz ZWBSTLOEYUIRPB-SECBINFHSA-N -1 0 305.342 -0.269 20 0 DBADRM CCOC(=O)CN(C)S(=O)(=O)[N-]C(=O)CSC(F)F ZINC000893698297 665909981 /nfs/dbraw/zinc/90/99/81/665909981.db2.gz OYSYQTHUKKOXFN-UHFFFAOYSA-N -1 0 320.339 -0.202 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCCN(CCF)CC1 ZINC000982251791 665930470 /nfs/dbraw/zinc/93/04/70/665930470.db2.gz WQWVOFXHAWBSCO-UHFFFAOYSA-N -1 0 322.344 -0.425 20 0 DBADRM O=C(NC[C@H]1CCN(C(=O)C(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC000982322823 665959210 /nfs/dbraw/zinc/95/92/10/665959210.db2.gz QIYSKXBOSCGSDV-RXMQYKEDSA-N -1 0 317.252 -0.874 20 0 DBADRM CCNC(=O)CNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000035134780 663799614 /nfs/dbraw/zinc/79/96/14/663799614.db2.gz GSUBWGZDHQMEEX-UHFFFAOYSA-N -1 0 302.308 -0.495 20 0 DBADRM CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000035134789 663800178 /nfs/dbraw/zinc/80/01/78/663800178.db2.gz WAASTSFBLNTKGE-SSDOTTSWSA-N -1 0 316.335 -0.107 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000090263001 663800922 /nfs/dbraw/zinc/80/09/22/663800922.db2.gz VZTPFACIQLLRDJ-VIFPVBQESA-N -1 0 313.287 -0.483 20 0 DBADRM C[C@H](NC(=O)c1ccncc1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000969201547 663805039 /nfs/dbraw/zinc/80/50/39/663805039.db2.gz BNZUNDQMOSXDSB-JTQLQIEISA-N -1 0 316.365 -0.246 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](NCc2nncs2)C1 ZINC000969209905 663806059 /nfs/dbraw/zinc/80/60/59/663806059.db2.gz GGVVOGUIZVLPTM-ZCFIWIBFSA-N -1 0 323.338 -0.861 20 0 DBADRM CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC000969365380 663821877 /nfs/dbraw/zinc/82/18/77/663821877.db2.gz WJYIZGTYSIKIFH-AOOOYVTPSA-N -1 0 321.337 -0.563 20 0 DBADRM Cc1cc(=O)[nH]c(N2CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)n1 ZINC000924295624 663835008 /nfs/dbraw/zinc/83/50/08/663835008.db2.gz AFXVSYOZSCRIEN-HNNXBMFYSA-N -1 0 319.365 -0.335 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1[C@@H]2CC[C@H]1CN(C(=O)C1CC1)C2 ZINC000969466639 663835302 /nfs/dbraw/zinc/83/53/02/663835302.db2.gz RANIWLAQGNPIDE-DTORHVGOSA-N -1 0 319.321 -0.492 20 0 DBADRM C[C@@H](NC(=O)c1cccc(=O)[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969452909 663835538 /nfs/dbraw/zinc/83/55/38/663835538.db2.gz QOXMMWGZJZNESJ-MRVPVSSYSA-N -1 0 318.337 -0.139 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(Cc3nnn(C)n3)C2)c1[O-] ZINC000969505877 663838888 /nfs/dbraw/zinc/83/88/88/663838888.db2.gz IJXRUSQWKCEDLL-SSDOTTSWSA-N -1 0 320.357 -0.802 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(CC(=O)N3CCC3)C2)c1[O-] ZINC000969505765 663838964 /nfs/dbraw/zinc/83/89/64/663838964.db2.gz FQUXMIZOIFGWEN-SECBINFHSA-N -1 0 321.381 -0.294 20 0 DBADRM CNC(=O)[C@H](C)N1CC([C@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000969500083 663838989 /nfs/dbraw/zinc/83/89/89/663838989.db2.gz GRWJRCQDFXZULM-CBAPKCEASA-N -1 0 309.370 -0.392 20 0 DBADRM Cc1cc(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)ncn1 ZINC000969509299 663839531 /nfs/dbraw/zinc/83/95/31/663839531.db2.gz TVWPGNNFPBMRBR-SECBINFHSA-N -1 0 317.353 -0.141 20 0 DBADRM CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([O-])n(C)c1=O ZINC000969524813 663840829 /nfs/dbraw/zinc/84/08/29/663840829.db2.gz PFQAVPZXAJWDST-AOOOYVTPSA-N -1 0 306.322 -0.679 20 0 DBADRM C[C@@H](NC(=O)c1cnn(C)c1N)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969533202 663841182 /nfs/dbraw/zinc/84/11/82/663841182.db2.gz WBTFRHDDXQIGGW-SSDOTTSWSA-N -1 0 320.357 -0.924 20 0 DBADRM C[C@@H](NC(=O)c1cncnc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969538520 663842435 /nfs/dbraw/zinc/84/24/35/663842435.db2.gz HWDZYPMKFQQTJJ-MRVPVSSYSA-N -1 0 303.326 -0.449 20 0 DBADRM Cc1ccnc(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000969588262 663848148 /nfs/dbraw/zinc/84/81/48/663848148.db2.gz KGXYKONVCXKQBX-SECBINFHSA-N -1 0 317.353 -0.141 20 0 DBADRM Cc1nnccc1C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970059347 663896939 /nfs/dbraw/zinc/89/69/39/663896939.db2.gz NMNYRYAZURQWGA-QMMMGPOBSA-N -1 0 317.353 -0.141 20 0 DBADRM CCOC(=O)N1CC[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000840988871 663924283 /nfs/dbraw/zinc/92/42/83/663924283.db2.gz PHRKIVFHHGWIFJ-UWVGGRQHSA-N -1 0 315.326 -0.288 20 0 DBADRM CCOC(=O)N1CC[C@@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000840988873 663924489 /nfs/dbraw/zinc/92/44/89/663924489.db2.gz PHRKIVFHHGWIFJ-ZJUUUORDSA-N -1 0 315.326 -0.288 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000804774779 663931146 /nfs/dbraw/zinc/93/11/46/663931146.db2.gz SWACWXGKVTUCGD-MNOVXSKESA-N -1 0 319.427 -0.377 20 0 DBADRM CC(C)OCCO[N-]C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000812802278 663933535 /nfs/dbraw/zinc/93/35/35/663933535.db2.gz GBJKSDYGTRMGFA-UHFFFAOYSA-N -1 0 320.371 -0.829 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(=O)[nH]c3)C2)nc1=O ZINC001021007722 663933978 /nfs/dbraw/zinc/93/39/78/663933978.db2.gz GCUSFOIKJGZIPI-MGCOHNPYSA-N -1 0 318.337 -0.740 20 0 DBADRM O=C(CCc1ncccn1)[N-]S(=O)(=O)N1CCOCC1 ZINC000813072722 663934351 /nfs/dbraw/zinc/93/43/51/663934351.db2.gz JXQKBIYLZBKOFA-UHFFFAOYSA-N -1 0 300.340 -0.898 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)Cc3ccc[nH]3)C2)nc1=O ZINC001021077230 663942923 /nfs/dbraw/zinc/94/29/23/663942923.db2.gz INWDMWUZDGEZMJ-XYPYZODXSA-N -1 0 304.354 -0.584 20 0 DBADRM C[C@H](NC(=O)c1csnn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970225961 663947448 /nfs/dbraw/zinc/94/74/48/663947448.db2.gz NEOGXYULAODJCP-LURJTMIESA-N -1 0 309.355 -0.388 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1COCCO1 ZINC001006815792 663981035 /nfs/dbraw/zinc/98/10/35/663981035.db2.gz WMXRRAJNZSPJKC-NXEZZACHSA-N -1 0 311.342 -0.994 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1COCCO1 ZINC001006815797 663981171 /nfs/dbraw/zinc/98/11/71/663981171.db2.gz WMXRRAJNZSPJKC-ZJUUUORDSA-N -1 0 311.342 -0.994 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3csnn3)C2)c1[O-] ZINC000954861464 663998894 /nfs/dbraw/zinc/99/88/94/663998894.db2.gz BMAFUQITSDFWQZ-UHFFFAOYSA-N -1 0 322.350 -0.128 20 0 DBADRM O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1)c1cn[nH]n1 ZINC001021307425 664000103 /nfs/dbraw/zinc/00/01/03/664000103.db2.gz KUBRRKGCTZYTFZ-CBLAIPOGSA-N -1 0 318.341 -0.446 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC000970825037 664058918 /nfs/dbraw/zinc/05/89/18/664058918.db2.gz PGJKIJFZPGAPEH-DBIOUOCHSA-N -1 0 322.365 -0.229 20 0 DBADRM C[C@@H](NC(=O)c1ccn(C)n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970881610 664067370 /nfs/dbraw/zinc/06/73/70/664067370.db2.gz VVQDYMMRHFWECT-MRVPVSSYSA-N -1 0 305.342 -0.506 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]3CN(CC(N)=O)CC[C@@H]32)c1[O-] ZINC001021566484 664069852 /nfs/dbraw/zinc/06/98/52/664069852.db2.gz KAQSNVAJXISMBY-QWRGUYRKSA-N -1 0 321.381 -0.164 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)CC1(C(=O)OC)CCC1 ZINC000846003398 664079249 /nfs/dbraw/zinc/07/92/49/664079249.db2.gz XIAPNFAWRPNDCF-UHFFFAOYSA-N -1 0 308.356 -0.683 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)C2=COCCO2)c1[O-] ZINC000949426438 664079356 /nfs/dbraw/zinc/07/93/56/664079356.db2.gz OLZWYMNPDFSTKU-VIFPVBQESA-N -1 0 322.321 -0.357 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2cnnn2C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947271469 664093683 /nfs/dbraw/zinc/09/36/83/664093683.db2.gz IZKZKOUUOJHWJJ-RKDXNWHRSA-N -1 0 320.357 -0.578 20 0 DBADRM CN(Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000971023885 664096208 /nfs/dbraw/zinc/09/62/08/664096208.db2.gz CEHDAAGZEFNUQQ-MNOVXSKESA-N -1 0 309.370 -0.680 20 0 DBADRM CN(Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000971023887 664096263 /nfs/dbraw/zinc/09/62/63/664096263.db2.gz CEHDAAGZEFNUQQ-QWRGUYRKSA-N -1 0 309.370 -0.680 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)c2csc(C(=O)[O-])n2)CC1 ZINC000721449284 664101370 /nfs/dbraw/zinc/10/13/70/664101370.db2.gz KEEVPVNVJCALQN-UHFFFAOYSA-N -1 0 319.364 -0.441 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC000971051563 664101408 /nfs/dbraw/zinc/10/14/08/664101408.db2.gz HQHFAUAHCUNHKV-JTQLQIEISA-N -1 0 305.342 -0.410 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC000971075208 664105496 /nfs/dbraw/zinc/10/54/96/664105496.db2.gz MUZMRIIGCRMJRE-JTQLQIEISA-N -1 0 305.342 -0.560 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC000971098038 664108480 /nfs/dbraw/zinc/10/84/80/664108480.db2.gz IHSDLIDMLCFXPI-JTQLQIEISA-N -1 0 320.357 -0.775 20 0 DBADRM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000063142724 664118809 /nfs/dbraw/zinc/11/88/09/664118809.db2.gz OQPLGCZXPYGPQW-MRVPVSSYSA-N -1 0 301.386 -0.454 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC000971248233 664129697 /nfs/dbraw/zinc/12/96/97/664129697.db2.gz BTOSVLUROFKVTM-JTQLQIEISA-N -1 0 305.342 -0.491 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CC(C)(C(=O)[O-])C1 ZINC000910060057 674592003 /nfs/dbraw/zinc/59/20/03/674592003.db2.gz BDLCZNAPAXOSJC-HNNXBMFYSA-N -1 0 308.334 -0.159 20 0 DBADRM C/C=C(\C)C(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001010957313 664138609 /nfs/dbraw/zinc/13/86/09/664138609.db2.gz QEXUECHNCLWWLA-ONNFQVAWSA-N -1 0 320.349 -0.264 20 0 DBADRM COc1ccc(OCC(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000002456587 664139392 /nfs/dbraw/zinc/13/93/92/664139392.db2.gz GXUIRFFWAKCMAN-UHFFFAOYSA-N -1 0 322.317 -0.171 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000971338880 664143288 /nfs/dbraw/zinc/14/32/88/664143288.db2.gz YWAUQSMPTSTDDK-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N(CC(=O)[O-])C1CCCC1 ZINC000910062010 674593032 /nfs/dbraw/zinc/59/30/32/674593032.db2.gz XFSMBVNEDSFCDN-UHFFFAOYSA-N -1 0 321.399 -0.420 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)CC(=O)N3CCC3)C2)c1[O-] ZINC000971359397 664147651 /nfs/dbraw/zinc/14/76/51/664147651.db2.gz FVHUVWXYTPAKNA-LLVKDONJSA-N -1 0 321.381 -0.198 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC([C@H](F)C(=O)[O-])C1 ZINC000910135149 674593668 /nfs/dbraw/zinc/59/36/68/674593668.db2.gz MFFXYECOWNHSMX-UWVGGRQHSA-N -1 0 322.358 -0.318 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC([C@@H](F)C(=O)[O-])C1 ZINC000910135148 674593947 /nfs/dbraw/zinc/59/39/47/674593947.db2.gz MFFXYECOWNHSMX-NXEZZACHSA-N -1 0 322.358 -0.318 20 0 DBADRM Cc1nc(C(=O)N2CC[C@H](N(C)Cc3nc(=O)n(C)[nH]3)C2)co1 ZINC000971400106 664157790 /nfs/dbraw/zinc/15/77/90/664157790.db2.gz KDHQEQILGZUOJZ-JTQLQIEISA-N -1 0 320.353 -0.249 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N2CC([C@@H](F)C(=O)[O-])C2)C1 ZINC000910125730 674594498 /nfs/dbraw/zinc/59/44/98/674594498.db2.gz UWMUPEVPQIMHRU-WCBMZHEXSA-N -1 0 322.358 -0.461 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC000971416972 664163260 /nfs/dbraw/zinc/16/32/60/664163260.db2.gz GQRHGYOJKGTWLV-SNVBAGLBSA-N -1 0 320.357 -0.775 20 0 DBADRM CCOCCS(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650428889 664188892 /nfs/dbraw/zinc/18/88/92/664188892.db2.gz VQMVTOVNWCHQCX-VIFPVBQESA-N -1 0 303.340 -0.572 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@@]1(C)C(=O)[O-] ZINC000910260089 674598016 /nfs/dbraw/zinc/59/80/16/674598016.db2.gz HMZVQWGWWXGGFM-ZWNOBZJWSA-N -1 0 318.395 -0.019 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000971637663 664220206 /nfs/dbraw/zinc/22/02/06/664220206.db2.gz OXYOPIQCMPWDOD-ZJUUUORDSA-N -1 0 322.369 -0.979 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC000971669726 664234509 /nfs/dbraw/zinc/23/45/09/664234509.db2.gz DRYNEJSPQMRFLI-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM COCCn1cc(C(=O)N2CCSC[C@H](C(=O)[O-])C2)nn1 ZINC000910148230 674595214 /nfs/dbraw/zinc/59/52/14/674595214.db2.gz QUANEBLYGMWFKP-SECBINFHSA-N -1 0 314.367 -0.186 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1 ZINC000924052797 664246065 /nfs/dbraw/zinc/24/60/65/664246065.db2.gz QOMBGWYDABUCOF-GBIKHYSHSA-N -1 0 301.343 -0.310 20 0 DBADRM CC(C)C(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022255580 664248846 /nfs/dbraw/zinc/24/88/46/664248846.db2.gz PIILAFINWSZAAC-DTWKUNHWSA-N -1 0 321.337 -0.388 20 0 DBADRM CCC(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001022316859 664259239 /nfs/dbraw/zinc/25/92/39/664259239.db2.gz LYTOOFQLBZNHDT-DTWKUNHWSA-N -1 0 309.326 -0.841 20 0 DBADRM CCC(=O)N1C[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC001022340659 664262786 /nfs/dbraw/zinc/26/27/86/664262786.db2.gz WLQXAPLVBOOAOV-GXSJLCMTSA-N -1 0 320.349 -0.431 20 0 DBADRM Cc1cnc(CN[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001022370041 664268496 /nfs/dbraw/zinc/26/84/96/664268496.db2.gz SQWQBRNCRDMBKI-OCAPTIKFSA-N -1 0 320.309 -0.370 20 0 DBADRM CCn1cnc2c1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C2 ZINC000926276007 664273019 /nfs/dbraw/zinc/27/30/19/664273019.db2.gz FTEBCGXUHLYATC-JTQLQIEISA-N -1 0 322.365 -0.033 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NCc1ccc(C(=O)[O-])o1 ZINC000094554731 664285387 /nfs/dbraw/zinc/28/53/87/664285387.db2.gz LVQJTCGAUVLJTD-UHFFFAOYSA-N -1 0 311.337 -0.558 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2ncn(C)n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947283071 664290878 /nfs/dbraw/zinc/29/08/78/664290878.db2.gz SIMDZDXROLQJHQ-DTWKUNHWSA-N -1 0 320.357 -0.578 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CN1CCCCS1(=O)=O ZINC000910437922 674608391 /nfs/dbraw/zinc/60/83/91/674608391.db2.gz FUFXTLICNZTNCP-IUCAKERBSA-N -1 0 308.331 -0.564 20 0 DBADRM COc1nc(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC000972015859 664313499 /nfs/dbraw/zinc/31/34/99/664313499.db2.gz GXZMSNGWPOYTMV-QMMMGPOBSA-N -1 0 322.325 -0.147 20 0 DBADRM O=C(C(F)F)N1CC[C@@]2(C1)CN(Cc1n[nH]c(=O)[n-]1)CCO2 ZINC000972204443 664350631 /nfs/dbraw/zinc/35/06/31/664350631.db2.gz QZIPXYAXPZOKIQ-LBPRGKRZSA-N -1 0 317.296 -0.421 20 0 DBADRM Cc1ncccc1CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000910492998 674613739 /nfs/dbraw/zinc/61/37/39/674613739.db2.gz AASWECHPISYCND-GFCCVEGCSA-N -1 0 305.334 -0.018 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1C[C@@H]3CCC[C@@H]13)C2 ZINC000910496739 674613895 /nfs/dbraw/zinc/61/38/95/674613895.db2.gz NYPNXNKQIVTHOU-KUOCNIDRSA-N -1 0 322.361 -0.149 20 0 DBADRM C[C@H]1CSCCCN1C(=O)C(=O)NCCOCC(=O)[O-] ZINC000910497488 674613896 /nfs/dbraw/zinc/61/38/96/674613896.db2.gz XGJQVIJUDSOFSL-VIFPVBQESA-N -1 0 304.368 -0.442 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NC[C@]23C[C@H]2COC32CCC2)C1 ZINC000910494446 674614312 /nfs/dbraw/zinc/61/43/12/674614312.db2.gz GCBQOPIPBPPFCL-ZIBATOQPSA-N -1 0 322.361 -0.005 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[C@H]1C(=O)[O-] ZINC000910497441 674614354 /nfs/dbraw/zinc/61/43/54/674614354.db2.gz RABLARWLCASVAY-JIHIYPPSSA-N -1 0 322.361 -0.152 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC000972319711 664367614 /nfs/dbraw/zinc/36/76/14/664367614.db2.gz IXSKBVRHYYVUNM-XPTSAGLGSA-N -1 0 322.369 -0.931 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000262170710 664380090 /nfs/dbraw/zinc/38/00/90/664380090.db2.gz QPFJHDAPHUCZJO-JTQLQIEISA-N -1 0 324.399 -0.442 20 0 DBADRM COCCCNC(=O)[C@H](C)N1CCN(c2cc(=O)[nH]cn2)CC1 ZINC000892328019 664416124 /nfs/dbraw/zinc/41/61/24/664416124.db2.gz SEELCDCSHREYTD-LBPRGKRZSA-N -1 0 323.397 -0.155 20 0 DBADRM Cc1cnc(CN[C@H]2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001023025432 664426447 /nfs/dbraw/zinc/42/64/47/664426447.db2.gz JPHLYFFTIJCIKW-DTORHVGOSA-N -1 0 322.325 -0.577 20 0 DBADRM O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781499445 664429563 /nfs/dbraw/zinc/42/95/63/664429563.db2.gz FKDXLKAVUMOWFR-WDEREUQCSA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@]2(C1)CN(Cc1n[nH]c(=O)[n-]1)CCO2 ZINC000972502720 664430433 /nfs/dbraw/zinc/43/04/33/664430433.db2.gz SRPDAFGWJHXOEU-UEKVPHQBSA-N -1 0 321.381 -0.030 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccoc3)C2)c1[O-] ZINC001023052388 664432003 /nfs/dbraw/zinc/43/20/03/664432003.db2.gz LOOUIJZMULOCRX-NXEZZACHSA-N -1 0 320.305 -0.368 20 0 DBADRM Cc1ccc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001038255035 664440923 /nfs/dbraw/zinc/44/09/23/664440923.db2.gz RCTOJSBLQSVRMU-VIFPVBQESA-N -1 0 303.326 -0.387 20 0 DBADRM Cc1c[nH]c(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000972513434 664446546 /nfs/dbraw/zinc/44/65/46/664446546.db2.gz KWMAYRBNJOOECW-VIFPVBQESA-N -1 0 305.342 -0.112 20 0 DBADRM Cc1c[nH]c(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000972513432 664446803 /nfs/dbraw/zinc/44/68/03/664446803.db2.gz KWMAYRBNJOOECW-SECBINFHSA-N -1 0 305.342 -0.112 20 0 DBADRM CCN(C(=O)c1cnsn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949729933 664458383 /nfs/dbraw/zinc/45/83/83/664458383.db2.gz IEVBOVFRCQILCZ-UHFFFAOYSA-N -1 0 309.355 -0.292 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000910795486 674643763 /nfs/dbraw/zinc/64/37/63/674643763.db2.gz XDHKNBFCSLSMKO-QCLAVDOMSA-N -1 0 302.352 -0.801 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(=O)c1 ZINC000910796871 674643946 /nfs/dbraw/zinc/64/39/46/674643946.db2.gz GHWGDVKOTUHMCO-KTSGXFQWSA-N -1 0 320.345 -0.303 20 0 DBADRM O=C(NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001023276684 664813177 /nfs/dbraw/zinc/81/31/77/664813177.db2.gz CZBZOINTSDPWBW-VHSXEESVSA-N -1 0 322.369 -0.883 20 0 DBADRM CCN(C(=O)c1cc(C)n(C)n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949740658 664814061 /nfs/dbraw/zinc/81/40/61/664814061.db2.gz FFCAQWFWSAGZIP-UHFFFAOYSA-N -1 0 319.369 -0.101 20 0 DBADRM Cn1cnc(C(=O)NC[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001023310776 664816100 /nfs/dbraw/zinc/81/61/00/664816100.db2.gz YKIJFSCCZZKNAN-JTQLQIEISA-N -1 0 319.369 -0.114 20 0 DBADRM CCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)CC1 ZINC001023415418 664824845 /nfs/dbraw/zinc/82/48/45/664824845.db2.gz CCZCYWSPRJIEGP-NXEZZACHSA-N -1 0 322.365 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3(C)CCC3)C[C@H]2O)c1[O-] ZINC001023421728 664825281 /nfs/dbraw/zinc/82/52/81/664825281.db2.gz BYKYIJZKZQYQHA-NXEZZACHSA-N -1 0 322.365 -0.085 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001023523966 664834059 /nfs/dbraw/zinc/83/40/59/664834059.db2.gz WEIIFUFNPATESF-SECBINFHSA-N -1 0 320.357 -0.421 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC000972590292 664837518 /nfs/dbraw/zinc/83/75/18/664837518.db2.gz VPNQINPUAVSYGQ-SECBINFHSA-N -1 0 303.326 -0.353 20 0 DBADRM CCN(C(=O)c1ccnn1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949766670 664838473 /nfs/dbraw/zinc/83/84/73/664838473.db2.gz HNSOZJWLGRNRDA-UHFFFAOYSA-N -1 0 305.342 -0.410 20 0 DBADRM CN(Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)c2nccs2)C1 ZINC000972601641 664841911 /nfs/dbraw/zinc/84/19/11/664841911.db2.gz KRHPSUSPLJWQFN-SECBINFHSA-N -1 0 322.394 -0.089 20 0 DBADRM O=C(NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnnc1 ZINC001023617817 664843319 /nfs/dbraw/zinc/84/33/19/664843319.db2.gz NNRPKBDNQWMTBF-SNVBAGLBSA-N -1 0 317.353 -0.058 20 0 DBADRM O=C(NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnnc1 ZINC001023617816 664843457 /nfs/dbraw/zinc/84/34/57/664843457.db2.gz NNRPKBDNQWMTBF-JTQLQIEISA-N -1 0 317.353 -0.058 20 0 DBADRM Cc1nonc1CC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000972643786 664852264 /nfs/dbraw/zinc/85/22/64/664852264.db2.gz DIUQQKQOLWXCGW-SECBINFHSA-N -1 0 321.341 -0.523 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccco1 ZINC000744242405 664852399 /nfs/dbraw/zinc/85/23/99/664852399.db2.gz BZXZAOHNUXOZCM-UHFFFAOYSA-N -1 0 303.340 -0.288 20 0 DBADRM Cn1c2ccccc2n(CCC(=O)NC[C@](C)(O)C(=O)[O-])c1=O ZINC000262516125 664854293 /nfs/dbraw/zinc/85/42/93/664854293.db2.gz MXUDMZVNKHAIBI-HNNXBMFYSA-N -1 0 321.333 -0.318 20 0 DBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CCOC(C)(C)C2)C1 ZINC000926593328 664856995 /nfs/dbraw/zinc/85/69/95/664856995.db2.gz KGBNOJKEKQUPNW-UWVGGRQHSA-N -1 0 322.383 -0.484 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2OCC[C@@H]2N1S(=O)(=O)C[C@H]1CCCO1 ZINC000926597715 664859573 /nfs/dbraw/zinc/85/95/73/664859573.db2.gz VWCODCWCQOCJCL-RCWTZXSCSA-N -1 0 305.352 -0.188 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC000972725718 664866779 /nfs/dbraw/zinc/86/67/79/664866779.db2.gz XOVKYCRNBKZKSK-JTQLQIEISA-N -1 0 319.369 -0.481 20 0 DBADRM CNC(=O)CN1CCCC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001024395754 664886857 /nfs/dbraw/zinc/88/68/57/664886857.db2.gz HFCNYPMXAAKNHA-JTQLQIEISA-N -1 0 309.370 -0.246 20 0 DBADRM O=C(NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1COC(=O)N1 ZINC001024421598 664887560 /nfs/dbraw/zinc/88/75/60/664887560.db2.gz CFIUIXZEEPSGFD-IUCAKERBSA-N -1 0 324.341 -0.911 20 0 DBADRM CC(F)(F)C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000972891892 664889436 /nfs/dbraw/zinc/88/94/36/664889436.db2.gz UPNGHHNDPNCPCK-URHBZAFASA-N -1 0 317.252 -0.685 20 0 DBADRM Cn1nccc1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001006893762 664889517 /nfs/dbraw/zinc/88/95/17/664889517.db2.gz KZHJJWJJZYMOFV-VIFPVBQESA-N -1 0 305.342 -0.362 20 0 DBADRM O=C(NC[C@H]1CCCC[N@H+]1CCCO)c1n[nH]c(=O)[n-]c1=O ZINC001024532605 664894655 /nfs/dbraw/zinc/89/46/55/664894655.db2.gz KPYKJXHBFHSITQ-SECBINFHSA-N -1 0 311.342 -0.751 20 0 DBADRM Cc1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024547573 664896769 /nfs/dbraw/zinc/89/67/69/664896769.db2.gz CXGUICVHHLSITG-VXGBXAGGSA-N -1 0 316.321 -0.877 20 0 DBADRM CC(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024547665 664896962 /nfs/dbraw/zinc/89/69/62/664896962.db2.gz DUBPLBISJVEXTO-GHMZBOCLSA-N -1 0 309.370 -0.212 20 0 DBADRM O=C(N[C@H]1C[C@H](NC(=O)[C@H]2CCCO2)C1)c1cnc[nH]c1=O ZINC000972940418 664900809 /nfs/dbraw/zinc/90/08/09/664900809.db2.gz BVYIWWZGAXVWIC-FXPVBKGRSA-N -1 0 306.322 -0.262 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001024588502 664901339 /nfs/dbraw/zinc/90/13/39/664901339.db2.gz BFZAWQCXZBJHCS-VIFPVBQESA-N -1 0 320.357 -0.279 20 0 DBADRM CCCC(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001011399059 664901563 /nfs/dbraw/zinc/90/15/63/664901563.db2.gz RJAVBOIKHZTHDB-IUCAKERBSA-N -1 0 311.342 -0.405 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001024655971 664907400 /nfs/dbraw/zinc/90/74/00/664907400.db2.gz DOSKGRPRUOSKST-BBBLOLIVSA-N -1 0 322.369 -0.898 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001024655970 664907660 /nfs/dbraw/zinc/90/76/60/664907660.db2.gz DOSKGRPRUOSKST-AEJSXWLSSA-N -1 0 322.369 -0.898 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3COCCO3)C2)c1[O-] ZINC000973030076 664947146 /nfs/dbraw/zinc/94/71/46/664947146.db2.gz CVWWMHLVEQWBCZ-OPRDCNLKSA-N -1 0 324.337 -0.784 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3COCCO3)C2)c1[O-] ZINC000973030075 664947276 /nfs/dbraw/zinc/94/72/76/664947276.db2.gz CVWWMHLVEQWBCZ-GUBZILKMSA-N -1 0 324.337 -0.784 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](NC(=O)C2=CCCC2)C1 ZINC000973162176 664997755 /nfs/dbraw/zinc/99/77/55/664997755.db2.gz FWGRCYJVKNFLRW-MGCOHNPYSA-N -1 0 321.337 -0.437 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3cnnn3C)C2)c1[O-] ZINC000973178481 665001200 /nfs/dbraw/zinc/00/12/00/665001200.db2.gz FENMFWMKRUPQIF-ZKCHVHJHSA-N -1 0 319.325 -0.757 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3ccnnc3)C2)c1[O-] ZINC000973181993 665001717 /nfs/dbraw/zinc/00/17/17/665001717.db2.gz SYNTYXIHILUZAH-MGCOHNPYSA-N -1 0 316.321 -0.095 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3cn(C)nn3)C2)c1[O-] ZINC000973181972 665001768 /nfs/dbraw/zinc/00/17/68/665001768.db2.gz SLXAVQJBYFIQTG-ZKCHVHJHSA-N -1 0 319.325 -0.757 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973182147 665001843 /nfs/dbraw/zinc/00/18/43/665001843.db2.gz YVNCBGCSXLFYMF-BWZBUEFSSA-N -1 0 321.337 -0.294 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000936208192 665025243 /nfs/dbraw/zinc/02/52/43/665025243.db2.gz SNAHJIUMNCTZPV-OPRDCNLKSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](NC(=O)c2cc[nH]c2)C1 ZINC000973364341 665027411 /nfs/dbraw/zinc/02/74/11/665027411.db2.gz WOSWKNPNNFINAX-KYZUINATSA-N -1 0 320.309 -0.905 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973476204 665039988 /nfs/dbraw/zinc/03/99/88/665039988.db2.gz PFYAGUZKKBKXFL-FNCVBFRFSA-N -1 0 321.337 -0.294 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973476754 665040140 /nfs/dbraw/zinc/04/01/40/665040140.db2.gz SPZIVCSOVJEKSK-KZVJFYERSA-N -1 0 321.337 -0.294 20 0 DBADRM C[C@H](NC(=O)c1cn[nH]n1)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001025464983 665053486 /nfs/dbraw/zinc/05/34/86/665053486.db2.gz MMNVDYAQWGBCMX-DTWKUNHWSA-N -1 0 320.357 -0.341 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(CC(=O)NC2CC2)C1 ZINC000949901191 665057151 /nfs/dbraw/zinc/05/71/51/665057151.db2.gz SKUDECZMBZUNJP-UHFFFAOYSA-N -1 0 321.381 -0.151 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC000936263002 665057163 /nfs/dbraw/zinc/05/71/63/665057163.db2.gz JNVSRZKFICSEFX-RKDXNWHRSA-N -1 0 321.337 -0.794 20 0 DBADRM CC(=O)N1CCC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@H]21 ZINC000973693425 665058517 /nfs/dbraw/zinc/05/85/17/665058517.db2.gz IDCVPYGDMDWTDM-VHSXEESVSA-N -1 0 321.337 -0.244 20 0 DBADRM CC(C)=CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000936291859 665062809 /nfs/dbraw/zinc/06/28/09/665062809.db2.gz DPYUONSHJDOKNR-IUCAKERBSA-N -1 0 319.321 -0.326 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000936318942 665068305 /nfs/dbraw/zinc/06/83/05/665068305.db2.gz ZQOOUKWMOBWRHY-MRVPVSSYSA-N -1 0 307.310 -0.634 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCc2nncn2CC1 ZINC000892846490 665069992 /nfs/dbraw/zinc/06/99/92/665069992.db2.gz OFEPFKXDDNAVPX-SNVBAGLBSA-N -1 0 315.399 -0.067 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cccn2nccc12 ZINC000892842175 665069998 /nfs/dbraw/zinc/06/99/98/665069998.db2.gz CMEHETSYZITJCC-UHFFFAOYSA-N -1 0 312.351 -0.113 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000892864478 665070883 /nfs/dbraw/zinc/07/08/83/665070883.db2.gz WIXUXKWOCJCVTD-SDDRHHMPSA-N -1 0 321.395 -0.090 20 0 DBADRM CN(C(=O)c1cnc([O-])n(C)c1=O)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000936325498 665070971 /nfs/dbraw/zinc/07/09/71/665070971.db2.gz JDZFGJMRCJIDQZ-SNVBAGLBSA-N -1 0 320.349 -0.431 20 0 DBADRM CN(C(=O)c1cnc([O-])n(C)c1=O)[C@H]1CCN(C(=O)C2CC2)C1 ZINC000936325497 665071026 /nfs/dbraw/zinc/07/10/26/665071026.db2.gz JDZFGJMRCJIDQZ-JTQLQIEISA-N -1 0 320.349 -0.431 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCN(C(=O)C2CCC2)C1 ZINC000936330550 665072629 /nfs/dbraw/zinc/07/26/29/665072629.db2.gz VHHRHFHGWJRBTL-VIFPVBQESA-N -1 0 321.337 -0.244 20 0 DBADRM Cc1ncc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1C#N ZINC000314072582 665078502 /nfs/dbraw/zinc/07/85/02/665078502.db2.gz ZTQOKYJARIVZKB-KOLCDFICSA-N -1 0 311.319 -0.530 20 0 DBADRM CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC001025748388 665083180 /nfs/dbraw/zinc/08/31/80/665083180.db2.gz IXEISRRVAQVWHY-VXGBXAGGSA-N -1 0 316.317 -0.343 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](NCc2ccon2)C1 ZINC001019710454 665088913 /nfs/dbraw/zinc/08/89/13/665088913.db2.gz OOUYBHRLYLGOJQ-VIFPVBQESA-N -1 0 308.298 -0.932 20 0 DBADRM CC(=O)N[C@@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C12CCC2 ZINC001025828234 665092025 /nfs/dbraw/zinc/09/20/25/665092025.db2.gz QUMOKEUNHOGZMF-HTQZYQBOSA-N -1 0 307.310 -0.540 20 0 DBADRM CCC(=O)N[C@@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C12CCC2 ZINC001025829347 665092388 /nfs/dbraw/zinc/09/23/88/665092388.db2.gz KOIWQYJOQNFGBW-SFYZADRCSA-N -1 0 321.337 -0.150 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000314272907 665092876 /nfs/dbraw/zinc/09/28/76/665092876.db2.gz OMWNVJIDIZLDJM-RQOWECAXSA-N -1 0 306.274 -0.255 20 0 DBADRM C[C@H]1CO[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1 ZINC001025908779 665110312 /nfs/dbraw/zinc/11/03/12/665110312.db2.gz XUZYTJJDVAQDIO-RWHSBRQSSA-N -1 0 307.354 -0.518 20 0 DBADRM C[C@H]1COCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001026020952 665119840 /nfs/dbraw/zinc/11/98/40/665119840.db2.gz AWEKIEIOPJHYDU-VLLVSFFDSA-N -1 0 321.381 -0.271 20 0 DBADRM CC1(C)CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1NC(=O)C1CC1 ZINC001007772425 665129854 /nfs/dbraw/zinc/12/98/54/665129854.db2.gz UCNNYORKCCRJCE-VIFPVBQESA-N -1 0 323.353 -0.548 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCN(C(=O)CC2CC2)C1 ZINC000936366332 665137660 /nfs/dbraw/zinc/13/76/60/665137660.db2.gz BUINGUZGKVEPQU-JTQLQIEISA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)C1 ZINC000035680378 665147553 /nfs/dbraw/zinc/14/75/53/665147553.db2.gz ZMWHOSFPFCGQOB-LLVKDONJSA-N -1 0 305.400 -0.335 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccnnc3)C2)c1[O-] ZINC000974033367 665158393 /nfs/dbraw/zinc/15/83/93/665158393.db2.gz SYNTYXIHILUZAH-AOOOYVTPSA-N -1 0 316.321 -0.095 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncn(C)n3)C2)c1[O-] ZINC000974040154 665159650 /nfs/dbraw/zinc/15/96/50/665159650.db2.gz ZORIQRWFZYJCHI-OCAPTIKFSA-N -1 0 319.325 -0.757 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)OC ZINC000893246089 665159807 /nfs/dbraw/zinc/15/98/07/665159807.db2.gz CBYLFOUNLTVVCD-FIQHERPVSA-N -1 0 321.395 -0.091 20 0 DBADRM O=C(CC1OCCCO1)N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000974064638 665163203 /nfs/dbraw/zinc/16/32/03/665163203.db2.gz VSZKLYSRKIJTDF-DTORHVGOSA-N -1 0 309.326 -0.665 20 0 DBADRM CCc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)nn1C ZINC000974281606 665186663 /nfs/dbraw/zinc/18/66/63/665186663.db2.gz PRQJEFAIUKDZOL-DTORHVGOSA-N -1 0 317.353 -0.209 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000775534845 665187688 /nfs/dbraw/zinc/18/76/88/665187688.db2.gz JYYKANSJCZVTEZ-SNVBAGLBSA-N -1 0 303.340 -0.659 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)CC1=O ZINC000974293785 665187890 /nfs/dbraw/zinc/18/78/90/665187890.db2.gz SGKQSIMPWYFCIX-BBBLOLIVSA-N -1 0 320.353 -0.950 20 0 DBADRM O=C(NC[C@H](O)c1ccco1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000123619269 665210544 /nfs/dbraw/zinc/21/05/44/665210544.db2.gz RCYKVPVDEHJCAL-VIFPVBQESA-N -1 0 316.273 -0.332 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001026783703 665226169 /nfs/dbraw/zinc/22/61/69/665226169.db2.gz KKKHRWVTIQCXOP-QMMMGPOBSA-N -1 0 321.341 -0.501 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](CNCc3nnn(C)n3)C2)c1[O-] ZINC001026785543 665226800 /nfs/dbraw/zinc/22/68/00/665226800.db2.gz OHIMUHADXKCBAB-VIFPVBQESA-N -1 0 320.357 -0.801 20 0 DBADRM Cn1cnc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CC2(C)C)n1 ZINC000974564728 665233025 /nfs/dbraw/zinc/23/30/25/665233025.db2.gz WHMUMCUVFQHVTD-MRVPVSSYSA-N -1 0 320.357 -0.721 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ncc[nH]1 ZINC000974564836 665233480 /nfs/dbraw/zinc/23/34/80/665233480.db2.gz HLCSVWCZTLWUCA-QMMMGPOBSA-N -1 0 305.342 -0.126 20 0 DBADRM CC(=O)N1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC000974720160 665243477 /nfs/dbraw/zinc/24/34/77/665243477.db2.gz RVTKMMWUNIZOFT-MWLCHTKSSA-N -1 0 306.322 -0.821 20 0 DBADRM O=C(Cc1ncc[nH]1)N1CC[C@@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001027141281 665277634 /nfs/dbraw/zinc/27/76/34/665277634.db2.gz XYBKIIHUEPAJDL-VIFPVBQESA-N -1 0 305.342 -0.586 20 0 DBADRM CCC(=O)N1CCC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000975420935 665279439 /nfs/dbraw/zinc/27/94/39/665279439.db2.gz VRUKDNRWSZGXKI-QMMMGPOBSA-N -1 0 309.326 -0.339 20 0 DBADRM CC(C)C(=O)N1CCC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000975416221 665279834 /nfs/dbraw/zinc/27/98/34/665279834.db2.gz JHBIAZZVNCZIDE-SECBINFHSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCO2)c1[O-] ZINC000976124412 665327112 /nfs/dbraw/zinc/32/71/12/665327112.db2.gz HJSWFFDYDHYHFG-YTWAJWBKSA-N -1 0 320.349 -0.211 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC001027343304 665351716 /nfs/dbraw/zinc/35/17/16/665351716.db2.gz RVJHVPJRCXKBSY-LLVKDONJSA-N -1 0 319.369 -0.101 20 0 DBADRM CO[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-] ZINC000976363219 665353106 /nfs/dbraw/zinc/35/31/06/665353106.db2.gz NPGUWDBWSARTMA-IMSYWVGJSA-N -1 0 308.338 -0.355 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001027392916 665376043 /nfs/dbraw/zinc/37/60/43/665376043.db2.gz YQYFRLHUIVORSF-BDAKNGLRSA-N -1 0 324.341 -0.959 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)c2ncn(C)n2)C1 ZINC001027401969 665379488 /nfs/dbraw/zinc/37/94/88/665379488.db2.gz QMSKZHPUEXQIBY-SECBINFHSA-N -1 0 320.357 -0.625 20 0 DBADRM CC(C)=CC(=O)N1CC[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000936482117 665381925 /nfs/dbraw/zinc/38/19/25/665381925.db2.gz JVRBRWFZGDZONQ-SECBINFHSA-N -1 0 321.337 -0.078 20 0 DBADRM CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000976810520 665395347 /nfs/dbraw/zinc/39/53/47/665395347.db2.gz SPICDMAKZMUEEB-CULRXLKQSA-N -1 0 319.365 -0.194 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)CN2CSCC2=O)C1 ZINC000313726693 665398777 /nfs/dbraw/zinc/39/87/77/665398777.db2.gz XJBSCCWOMFIOQM-GFCCVEGCSA-N -1 0 302.352 -0.531 20 0 DBADRM CCC(=O)N1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001009648124 665401696 /nfs/dbraw/zinc/40/16/96/665401696.db2.gz MQQIHVCVDYMDRF-UHFFFAOYSA-N -1 0 303.322 -0.283 20 0 DBADRM Cn1cc(N2CCN(C(=O)C3(C(=O)[O-])CCOCC3)CC2)cn1 ZINC000911382995 674712935 /nfs/dbraw/zinc/71/29/35/674712935.db2.gz QPTVIIBETAGLJI-UHFFFAOYSA-N -1 0 322.365 -0.050 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000911448323 674723936 /nfs/dbraw/zinc/72/39/36/674723936.db2.gz UKUYGPUYVBSVJL-MADCSZMMSA-N -1 0 312.351 -0.225 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCN(CCCF)CC1 ZINC000911587869 674740325 /nfs/dbraw/zinc/74/03/25/674740325.db2.gz JGINTKDYUQNWBY-UHFFFAOYSA-N -1 0 315.349 -0.027 20 0 DBADRM CO[C@H]1CN(C(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)[C@](C)(CO)C1 ZINC000911793449 674747644 /nfs/dbraw/zinc/74/76/44/674747644.db2.gz VVHLLLTYYOBSQC-KKSJPVRNSA-N -1 0 301.339 -0.137 20 0 DBADRM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(C)(C)C(=O)[O-])C1 ZINC000911743107 674746527 /nfs/dbraw/zinc/74/65/27/674746527.db2.gz QHCOXZDSHZUDDY-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C1 ZINC000911744242 674746538 /nfs/dbraw/zinc/74/65/38/674746538.db2.gz ZPGPZTHDUYOPRZ-MXWKQRLJSA-N -1 0 318.395 -0.020 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])[C@H](C)C1 ZINC000911746278 674746608 /nfs/dbraw/zinc/74/66/08/674746608.db2.gz YBYHYWNXUKTMBN-MXWKQRLJSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000911742651 674746754 /nfs/dbraw/zinc/74/67/54/674746754.db2.gz LPNFJLBKTHCHKZ-ZJUUUORDSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)c1cnc([O-])n(C)c1=O ZINC000912013021 674754982 /nfs/dbraw/zinc/75/49/82/674754982.db2.gz LRQOLXYXVMKBTO-IWSPIJDZSA-N -1 0 308.338 -0.434 20 0 DBADRM CCCC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC000991388549 674773523 /nfs/dbraw/zinc/77/35/23/674773523.db2.gz LBXVQBORDBIQFN-ZJUUUORDSA-N -1 0 310.354 -0.085 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1n[nH]nc1C ZINC000912562944 674776139 /nfs/dbraw/zinc/77/61/39/674776139.db2.gz NGTSASWJNMUJGO-UHFFFAOYSA-N -1 0 300.300 -0.186 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000912558937 674777438 /nfs/dbraw/zinc/77/74/38/674777438.db2.gz STDKQSHILCJVRR-SSDOTTSWSA-N -1 0 319.339 -0.026 20 0 DBADRM CCc1nc([N-]S(=O)(=O)c2n[nH]cc2C(=O)OC)no1 ZINC000912558969 674777517 /nfs/dbraw/zinc/77/75/17/674777517.db2.gz UORGLVYHJUXRNF-UHFFFAOYSA-N -1 0 301.284 -0.058 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)CC3CC3)C[C@H]2O)c1[O-] ZINC000991389291 674777535 /nfs/dbraw/zinc/77/75/35/674777535.db2.gz MFNPIRNBWCBXHL-WDEREUQCSA-N -1 0 322.365 -0.085 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000991411728 674787266 /nfs/dbraw/zinc/78/72/66/674787266.db2.gz QZOUANZSBQPUJP-SFYZADRCSA-N -1 0 321.337 -0.340 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803003457 674798289 /nfs/dbraw/zinc/79/82/89/674798289.db2.gz AGMMGUANAXJBBY-ZJUUUORDSA-N -1 0 304.368 -0.520 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)Cc2ncc[nH]2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947860845 674810192 /nfs/dbraw/zinc/81/01/92/674810192.db2.gz AJIIGNKQYLAOTK-ZJUUUORDSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001011848465 674813556 /nfs/dbraw/zinc/81/35/56/674813556.db2.gz FIJVNGOBLWHQSP-NXEZZACHSA-N -1 0 323.353 -0.594 20 0 DBADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)CCS(C)(=O)=O ZINC000164895263 674811039 /nfs/dbraw/zinc/81/10/39/674811039.db2.gz UDRDGWYZIWKYFD-PSASIEDQSA-N -1 0 313.397 -0.406 20 0 DBADRM O=C(N[C@@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)c1cn[nH]n1 ZINC000991568363 674820692 /nfs/dbraw/zinc/82/06/92/674820692.db2.gz NHPAPOAUUZJJSB-NOZJJQNGSA-N -1 0 318.341 -0.445 20 0 DBADRM O=C(N[C@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)c1cn[nH]n1 ZINC000991568370 674820715 /nfs/dbraw/zinc/82/07/15/674820715.db2.gz NHPAPOAUUZJJSB-ZANVPECISA-N -1 0 318.341 -0.445 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2ccoc2)C[C@@H]1O)c1cn[nH]n1 ZINC000991606308 674843893 /nfs/dbraw/zinc/84/38/93/674843893.db2.gz YBMMQIIXSWCGJI-KOLCDFICSA-N -1 0 305.294 -0.597 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2ccoc2)C[C@H]1O)c1cn[nH]n1 ZINC000991606305 674843972 /nfs/dbraw/zinc/84/39/72/674843972.db2.gz YBMMQIIXSWCGJI-GXSJLCMTSA-N -1 0 305.294 -0.597 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CCCN3CCCC3=O)C2)c1[O-] ZINC001030227270 674847559 /nfs/dbraw/zinc/84/75/59/674847559.db2.gz VDTNYHTWVJAGAD-UHFFFAOYSA-N -1 0 321.381 -0.150 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN([C@@H]3CCCN(C)C3=O)C2)c1[O-] ZINC001030222122 674846819 /nfs/dbraw/zinc/84/68/19/674846819.db2.gz GPRUTWIRFASRQM-SNVBAGLBSA-N -1 0 307.354 -0.541 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CC(=O)N(C)C3CC3)C2)c1[O-] ZINC001030223521 674846995 /nfs/dbraw/zinc/84/69/95/674846995.db2.gz CJVIAEIOJBSPMH-UHFFFAOYSA-N -1 0 307.354 -0.541 20 0 DBADRM CCn1c(C)nnc1CN1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001030225507 674847152 /nfs/dbraw/zinc/84/71/52/674847152.db2.gz VEXDLRQYMZLGSS-UHFFFAOYSA-N -1 0 319.369 -0.042 20 0 DBADRM CSCC(=O)N1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000991664889 674861412 /nfs/dbraw/zinc/86/14/12/674861412.db2.gz IEUFXOIUMYXWPQ-UHFFFAOYSA-N -1 0 321.362 -0.674 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)C1(c2ccccn2)CC1 ZINC001030308160 674862029 /nfs/dbraw/zinc/86/20/29/674862029.db2.gz SPMSGTRWGRUZLW-UHFFFAOYSA-N -1 0 314.349 -0.063 20 0 DBADRM C[C@@H](C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnn1C ZINC001030331538 674865438 /nfs/dbraw/zinc/86/54/38/674865438.db2.gz IOGZZKQRMGHPGP-MRVPVSSYSA-N -1 0 305.342 -0.652 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc2[nH]cnc2c1 ZINC001030382382 674874554 /nfs/dbraw/zinc/87/45/54/674874554.db2.gz GVEFXPCGBFNAMT-UHFFFAOYSA-N -1 0 314.309 -0.604 20 0 DBADRM CNC(=O)[C@]1(C)CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000227213111 674879197 /nfs/dbraw/zinc/87/91/97/674879197.db2.gz JQOHINWSONWLNF-GFCCVEGCSA-N -1 0 315.351 -0.140 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc2c([nH]1)CCOC2 ZINC001030429535 674887837 /nfs/dbraw/zinc/88/78/37/674887837.db2.gz OUGJQOKYBDBSJA-UHFFFAOYSA-N -1 0 318.337 -0.475 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn2ncccc12 ZINC001030451399 674891884 /nfs/dbraw/zinc/89/18/84/674891884.db2.gz GGBLDLGRAPVMPE-UHFFFAOYSA-N -1 0 314.309 -0.833 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1snnc1C1CC1 ZINC001030476283 674894280 /nfs/dbraw/zinc/89/42/80/674894280.db2.gz DRPVBLSBJBYQOO-UHFFFAOYSA-N -1 0 321.366 -0.147 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)OC)C1 ZINC000842334428 674895803 /nfs/dbraw/zinc/89/58/03/674895803.db2.gz UNLVDOZYEWEVFZ-YIZRAAEISA-N -1 0 321.351 -0.417 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ncc(F)cc1F ZINC001030533982 674901609 /nfs/dbraw/zinc/90/16/09/674901609.db2.gz HDMHMASEUMZIFL-UHFFFAOYSA-N -1 0 310.264 -0.202 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3ccnc(C)n3)C2)c1[O-] ZINC000991823274 674900036 /nfs/dbraw/zinc/90/00/36/674900036.db2.gz BKRYQIYCEGXXEY-UHFFFAOYSA-N -1 0 316.321 -0.223 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1CCNC(=O)CC1 ZINC001038563393 674902317 /nfs/dbraw/zinc/90/23/17/674902317.db2.gz OTPGWKBDCTUANS-VHSXEESVSA-N -1 0 322.369 -0.883 20 0 DBADRM COC(=O)c1ccnc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)c1 ZINC000842346058 674904228 /nfs/dbraw/zinc/90/42/28/674904228.db2.gz ACKSGYKCLNAWES-MRVPVSSYSA-N -1 0 316.335 -0.037 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc2ccccn21 ZINC001030579722 674907009 /nfs/dbraw/zinc/90/70/09/674907009.db2.gz OFPUBYAWAQYIMY-UHFFFAOYSA-N -1 0 313.321 -0.228 20 0 DBADRM O=C(NC1CN(Cc2ccccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030616741 674913229 /nfs/dbraw/zinc/91/32/29/674913229.db2.gz GWGLTFQSNFMASB-UHFFFAOYSA-N -1 0 302.294 -0.708 20 0 DBADRM Cc1oncc1CN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030616779 674913234 /nfs/dbraw/zinc/91/32/34/674913234.db2.gz IKONYRJKVAAQFB-UHFFFAOYSA-N -1 0 306.282 -0.807 20 0 DBADRM C[C@H]1CC[C@H](CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC001030617056 674913282 /nfs/dbraw/zinc/91/32/82/674913282.db2.gz VEMPLWPWAFLEMF-IONNQARKSA-N -1 0 309.326 -0.736 20 0 DBADRM COc1nc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)co1 ZINC001038564382 674916579 /nfs/dbraw/zinc/91/65/79/674916579.db2.gz ZDBMIJVXVDAMIY-ZETCQYMHSA-N -1 0 308.298 -0.489 20 0 DBADRM O=C(NC1CN(C[C@@H]2CCCCO2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030618615 674913747 /nfs/dbraw/zinc/91/37/47/674913747.db2.gz OEVZNNYNCOYQMK-VIFPVBQESA-N -1 0 309.326 -0.734 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC2CN(C[C@@H](C)O)C2)cc1=O ZINC001030625028 674914723 /nfs/dbraw/zinc/91/47/23/674914723.db2.gz YLUKOOAASHTTMD-LLVKDONJSA-N -1 0 310.398 -0.444 20 0 DBADRM Cn1nc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cc1Cl ZINC001030650655 674917728 /nfs/dbraw/zinc/91/77/28/674917728.db2.gz IHYQIXQXKORAEV-UHFFFAOYSA-N -1 0 311.733 -0.489 20 0 DBADRM CC[C@@H]1CCO[C@@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948862091 674918883 /nfs/dbraw/zinc/91/88/83/674918883.db2.gz AJNKAZLRJMUXOH-PWSUYJOCSA-N -1 0 309.370 -0.030 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)C1CCC(C(=O)[O-])CC1 ZINC000231024458 674920478 /nfs/dbraw/zinc/92/04/78/674920478.db2.gz KSTGRNKGIMMIDJ-UHFFFAOYSA-N -1 0 306.384 -0.067 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@]12CCC[C@H]1OCC2 ZINC001030667899 674920645 /nfs/dbraw/zinc/92/06/45/674920645.db2.gz RBHXOLAOMYMZHY-YGRLFVJLSA-N -1 0 307.354 -0.230 20 0 DBADRM NC(=O)CN1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000063759792 674924862 /nfs/dbraw/zinc/92/48/62/674924862.db2.gz KNHWMPOHXPVEDB-UHFFFAOYSA-N -1 0 322.321 -0.066 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2cn(C)nn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947261773 674926651 /nfs/dbraw/zinc/92/66/51/674926651.db2.gz NHKZIZZQFPFJEX-RKDXNWHRSA-N -1 0 320.357 -0.578 20 0 DBADRM Cc1cnc(C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)c(C)c1 ZINC001030715333 674930757 /nfs/dbraw/zinc/93/07/57/674930757.db2.gz INUJIZVECGOGAQ-UHFFFAOYSA-N -1 0 316.365 -0.266 20 0 DBADRM Cn1[nH]c(CN2CC(NC(=O)C3(C4CC4)CCC3)C2)nc1=O ZINC001030751145 674938436 /nfs/dbraw/zinc/93/84/36/674938436.db2.gz XAYQUKXIQDUWKR-UHFFFAOYSA-N -1 0 305.382 -0.011 20 0 DBADRM Cc1ncoc1CN1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001030778803 674950724 /nfs/dbraw/zinc/95/07/24/674950724.db2.gz HYEZJYIREZXVJI-UHFFFAOYSA-N -1 0 319.321 -0.603 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000739673734 674953682 /nfs/dbraw/zinc/95/36/82/674953682.db2.gz JGPBODPESYBWQU-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM COCCN(CC(=O)NCCN1CCOC[C@@H]1C)C(=O)[O-] ZINC000739819162 674978901 /nfs/dbraw/zinc/97/89/01/674978901.db2.gz WDMBVXSXNJQNFI-NSHDSACASA-N -1 0 303.359 -0.550 20 0 DBADRM CCC(=O)N1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001015096913 674979133 /nfs/dbraw/zinc/97/91/33/674979133.db2.gz BKRQDQRAJGBQLZ-SFYZADRCSA-N -1 0 309.326 -0.198 20 0 DBADRM CC(C)C(=O)NC1CC(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000992284424 674983846 /nfs/dbraw/zinc/98/38/46/674983846.db2.gz DBKLTOXDYNSOJQ-UHFFFAOYSA-N -1 0 322.365 -0.234 20 0 DBADRM CCn1cc(C(=O)NCC2CC(NC(=O)c3cn[nH]n3)C2)nn1 ZINC000992353913 674994565 /nfs/dbraw/zinc/99/45/65/674994565.db2.gz ISDAEGREAJCJBV-UHFFFAOYSA-N -1 0 318.341 -0.646 20 0 DBADRM O=C(/C=C\CN1CCOCC1)N1CCC(c2nnn[n-]2)CC1 ZINC000913745186 675002010 /nfs/dbraw/zinc/00/20/10/675002010.db2.gz SIINVYBNQYBVPV-UPHRSURJSA-N -1 0 306.370 -0.206 20 0 DBADRM O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC(c2nnn[n-]2)CC1 ZINC000913742378 675001490 /nfs/dbraw/zinc/00/14/90/675001490.db2.gz BFHWPPGRVYOPIA-SNVBAGLBSA-N -1 0 304.354 -0.083 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)C1 ZINC000913779835 675003630 /nfs/dbraw/zinc/00/36/30/675003630.db2.gz JTPWRRCNABXOFC-CVJICSNFSA-N -1 0 307.272 -0.223 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030977820 675016984 /nfs/dbraw/zinc/01/69/84/675016984.db2.gz QQUJWMJBUXHYNB-NXEZZACHSA-N -1 0 317.353 -0.652 20 0 DBADRM Cn1[nH]c(CN2CC(NC(=O)c3cc(C4CC4)n[nH]3)C2)nc1=O ZINC001030999826 675022019 /nfs/dbraw/zinc/02/20/19/675022019.db2.gz FHCWIPPOILCHKQ-UHFFFAOYSA-N -1 0 317.353 -0.677 20 0 DBADRM O=S(=O)(N[C@@H](CO)c1cccc(F)c1)[C@@H]1COC[C@H]1O ZINC000914162531 675024267 /nfs/dbraw/zinc/02/42/67/675024267.db2.gz HMORFHVIMZEBNK-QJPTWQEYSA-N -1 0 305.327 -0.462 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(-n2cccn2)c1 ZINC000753944596 675027187 /nfs/dbraw/zinc/02/71/87/675027187.db2.gz ALYGFQDPDNESHT-UHFFFAOYSA-N -1 0 308.319 -0.583 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001031059697 675035312 /nfs/dbraw/zinc/03/53/12/675035312.db2.gz QLDGWZLSIQBEGE-VIFPVBQESA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN([C@H]3CCN(C)C3=O)C2)c1[O-] ZINC001007131638 675035831 /nfs/dbraw/zinc/03/58/31/675035831.db2.gz XGWYGPZOWLUOOP-MNOVXSKESA-N -1 0 321.381 -0.151 20 0 DBADRM COCCN(CCOC)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730515694 675035980 /nfs/dbraw/zinc/03/59/80/675035980.db2.gz YGNNQXQTIWRJHY-UHFFFAOYSA-N -1 0 309.326 -0.807 20 0 DBADRM COC[C@@H](C)N1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001031069296 675036202 /nfs/dbraw/zinc/03/62/02/675036202.db2.gz XGCZVGPTCHMOSP-SECBINFHSA-N -1 0 305.338 -0.529 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(Cc3cn(C)nn3)C2)c1[O-] ZINC001007135606 675038114 /nfs/dbraw/zinc/03/81/14/675038114.db2.gz XNDCVFHRPTWJTN-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc2nncn2c1 ZINC001031095859 675038470 /nfs/dbraw/zinc/03/84/70/675038470.db2.gz ZRETVGKCRWRIMP-UHFFFAOYSA-N -1 0 314.309 -0.833 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC1CN(CCC2CC2)C1 ZINC001031116359 675041026 /nfs/dbraw/zinc/04/10/26/675041026.db2.gz NMZRVDHEOKTJDD-UHFFFAOYSA-N -1 0 316.365 -0.328 20 0 DBADRM C[C@@H](F)CCN1CC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001031116229 675041032 /nfs/dbraw/zinc/04/10/32/675041032.db2.gz HGSRINAJFHEINR-SECBINFHSA-N -1 0 322.344 -0.380 20 0 DBADRM CCN(CC)C(=O)[C@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730656224 675045733 /nfs/dbraw/zinc/04/57/33/675045733.db2.gz GEJLOWIOOPPLPN-VIFPVBQESA-N -1 0 321.337 -0.129 20 0 DBADRM CCCCNC(=O)[C@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730660133 675045816 /nfs/dbraw/zinc/04/58/16/675045816.db2.gz ZTVOEEVMSHOMCX-VIFPVBQESA-N -1 0 321.337 -0.081 20 0 DBADRM CCCNC(=O)[C@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730659368 675045903 /nfs/dbraw/zinc/04/59/03/675045903.db2.gz OUPIWMUYAFAZQA-QMMMGPOBSA-N -1 0 307.310 -0.471 20 0 DBADRM O=C1OCCN1CCN1[N-]S(=O)(=O)c2ccccc2C1=O ZINC000914686798 675052839 /nfs/dbraw/zinc/05/28/39/675052839.db2.gz JUTCXMXLGGZRIX-UHFFFAOYSA-N -1 0 311.319 -0.212 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993152038 675058487 /nfs/dbraw/zinc/05/84/87/675058487.db2.gz UWEBZQYBMFFBHN-KOLCDFICSA-N -1 0 319.369 -0.055 20 0 DBADRM CN(C(=O)c1cnc[nH]c1=O)[C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000936874890 670515436 /nfs/dbraw/zinc/51/54/36/670515436.db2.gz VJWZWSJLNPBOSN-QWRGUYRKSA-N -1 0 320.349 -0.108 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2[C@@H]2CCC(=O)NC2=O)c1[O-] ZINC001038165187 670569803 /nfs/dbraw/zinc/56/98/03/670569803.db2.gz NYSHRNMSLVYWIJ-RKDXNWHRSA-N -1 0 321.337 -0.967 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000982465795 670597136 /nfs/dbraw/zinc/59/71/36/670597136.db2.gz QYAJRRPYDDBZNZ-JTQLQIEISA-N -1 0 322.365 -0.280 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnccn1 ZINC001028382864 670720430 /nfs/dbraw/zinc/72/04/30/670720430.db2.gz YRJHWQVMPIMCOB-SECBINFHSA-N -1 0 303.326 -0.448 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000937077140 670722868 /nfs/dbraw/zinc/72/28/68/670722868.db2.gz YRXNBEZMDVALNG-ZUYFITGHSA-N -1 0 323.353 -0.285 20 0 DBADRM O=C(CCOC[C@@H]1CCCO1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732089325 677350397 /nfs/dbraw/zinc/35/03/97/677350397.db2.gz HAKFFDSQIMBPBP-QWRGUYRKSA-N -1 0 311.342 -0.315 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN(Cc3cn(C)nn3)C2)c1[O-] ZINC001028485032 670807050 /nfs/dbraw/zinc/80/70/50/670807050.db2.gz ICBLYBUXTFIDBN-JTQLQIEISA-N -1 0 319.369 -0.196 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN(Cc3ncnn3C)C2)c1[O-] ZINC001028484855 670807167 /nfs/dbraw/zinc/80/71/67/670807167.db2.gz DZVKHNAYEOQLMJ-JTQLQIEISA-N -1 0 319.369 -0.196 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)ncn1 ZINC001028488499 670808302 /nfs/dbraw/zinc/80/83/02/670808302.db2.gz MJHREXDNTSUDIV-JTQLQIEISA-N -1 0 317.353 -0.139 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cncnc1 ZINC001028495966 670812030 /nfs/dbraw/zinc/81/20/30/670812030.db2.gz OVGNYIVWPWIYAP-SECBINFHSA-N -1 0 303.326 -0.448 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC(O)CC1 ZINC001028511428 670823792 /nfs/dbraw/zinc/82/37/92/670823792.db2.gz SURTUHWJWXKANG-VOMCLLRMSA-N -1 0 323.397 -0.001 20 0 DBADRM CCn1ncc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001028523282 670831361 /nfs/dbraw/zinc/83/13/61/670831361.db2.gz AKWYXJYDRBOURH-VIFPVBQESA-N -1 0 320.357 -0.626 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982627286 670832041 /nfs/dbraw/zinc/83/20/41/670832041.db2.gz WEKKCIKLZIEZNX-QZGLAHODSA-N -1 0 321.337 -0.173 20 0 DBADRM Cc1ccc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001028535370 670832531 /nfs/dbraw/zinc/83/25/31/670832531.db2.gz SWCSNOJMFFJEPH-SNVBAGLBSA-N -1 0 317.353 -0.139 20 0 DBADRM Cc1c[nH]nc1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028533260 670832677 /nfs/dbraw/zinc/83/26/77/670832677.db2.gz KMBBEPBHKWOSSC-SECBINFHSA-N -1 0 305.342 -0.206 20 0 DBADRM O=C(Cc1cn2ccccc2n1)[N-]S(=O)(=O)N1CCOCC1 ZINC000747747190 670880869 /nfs/dbraw/zinc/88/08/69/670880869.db2.gz OORWVNDIZYRCER-UHFFFAOYSA-N -1 0 324.362 -0.430 20 0 DBADRM CC(=O)NC[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000982970262 670909128 /nfs/dbraw/zinc/90/91/28/670909128.db2.gz UHWPAKYAPZUKFY-SECBINFHSA-N -1 0 309.326 -0.800 20 0 DBADRM O=C(NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000983032092 670928639 /nfs/dbraw/zinc/92/86/39/670928639.db2.gz GUGFPXYJIBLCFQ-SSDOTTSWSA-N -1 0 307.310 -0.729 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983085435 670944237 /nfs/dbraw/zinc/94/42/37/670944237.db2.gz YZVQMCMAAMLNQN-IWSPIJDZSA-N -1 0 321.337 -0.483 20 0 DBADRM CC(=O)NC[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000983110151 670949347 /nfs/dbraw/zinc/94/93/47/670949347.db2.gz LFCDQQCDPCNMEO-SNVBAGLBSA-N -1 0 318.337 -0.944 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028748645 671022617 /nfs/dbraw/zinc/02/26/17/671022617.db2.gz LYIHIIBABRGKQT-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1ncc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC001028762683 671031255 /nfs/dbraw/zinc/03/12/55/671031255.db2.gz SPUAOMCUCIYOAK-SNVBAGLBSA-N -1 0 319.369 -0.196 20 0 DBADRM CCn1cc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001028897438 671094047 /nfs/dbraw/zinc/09/40/47/671094047.db2.gz MAQAFGVMIWWQHL-SECBINFHSA-N -1 0 320.357 -0.626 20 0 DBADRM CCC(=O)N[C@@H]1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000983372448 671096019 /nfs/dbraw/zinc/09/60/19/671096019.db2.gz AORZPACMLMELGW-BDAKNGLRSA-N -1 0 311.342 -0.357 20 0 DBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)c2ccccc2)c1=O ZINC000048406692 671096613 /nfs/dbraw/zinc/09/66/13/671096613.db2.gz GEOHLJQAZUYQBU-UHFFFAOYSA-N -1 0 323.330 -0.108 20 0 DBADRM Cc1nonc1CC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000983454980 671156146 /nfs/dbraw/zinc/15/61/46/671156146.db2.gz WOLOPDFVUASQGL-UHFFFAOYSA-N -1 0 321.341 -0.521 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](N=c2nn[n-]n2Cc2ccccc2)C1 ZINC000894387547 671175856 /nfs/dbraw/zinc/17/58/56/671175856.db2.gz PDTUZXKFNWJKSP-GFCCVEGCSA-N -1 0 322.394 -0.411 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NCCCCCC(=O)[O-])nn1 ZINC000262013797 671183372 /nfs/dbraw/zinc/18/33/72/671183372.db2.gz VFJVYIHITWPCCE-UHFFFAOYSA-N -1 0 311.342 -0.259 20 0 DBADRM OCCO[C@@]1(CN=c2nn[n-]n2Cc2ccccc2)CCOC1 ZINC000894521368 671202194 /nfs/dbraw/zinc/20/21/94/671202194.db2.gz OEURVVFANBWDTP-OAHLLOKOSA-N -1 0 319.365 -0.277 20 0 DBADRM CC1(C)COCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000048945921 671259286 /nfs/dbraw/zinc/25/92/86/671259286.db2.gz WTSZIDQAWIXIEJ-UHFFFAOYSA-N -1 0 303.340 -0.233 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000983758528 671260016 /nfs/dbraw/zinc/26/00/16/671260016.db2.gz PVLHHUYWOSVOGV-JTQLQIEISA-N -1 0 323.353 -0.451 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000049015407 671262632 /nfs/dbraw/zinc/26/26/32/671262632.db2.gz COTQLTRDXFNHBN-UHFFFAOYSA-N -1 0 305.400 -0.004 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(=O)c1 ZINC000909420067 671272437 /nfs/dbraw/zinc/27/24/37/671272437.db2.gz HXGGEGIKWNXJMT-IAQYHMDHSA-N -1 0 308.334 -0.159 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCCC[C@H]1CNC(=O)C1CC1 ZINC000937444030 671276545 /nfs/dbraw/zinc/27/65/45/671276545.db2.gz XHKGAPHCAWAVLX-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000909422747 671277473 /nfs/dbraw/zinc/27/74/73/671277473.db2.gz QJWVGPKWZOSADU-IAQYHMDHSA-N -1 0 308.334 -0.159 20 0 DBADRM O=C(Cc1ccon1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029246018 671287231 /nfs/dbraw/zinc/28/72/31/671287231.db2.gz QXBBMWPLXQTJQL-PHIMTYICSA-N -1 0 318.337 -0.084 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cn1ccnc1 ZINC000909434313 671288757 /nfs/dbraw/zinc/28/87/57/671288757.db2.gz SZKBUHNJKBHDJG-NSHDSACASA-N -1 0 308.338 -0.335 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccsc1 ZINC000732521978 677363969 /nfs/dbraw/zinc/36/39/69/677363969.db2.gz ZUGHUGMVKVBJOF-UHFFFAOYSA-N -1 0 320.392 -0.040 20 0 DBADRM CC(C)C(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001012309122 671318126 /nfs/dbraw/zinc/31/81/26/671318126.db2.gz NKOGUUVVBONKRW-HTQZYQBOSA-N -1 0 309.326 -0.342 20 0 DBADRM CO[C@@]1(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CCSC1 ZINC000909504509 671336370 /nfs/dbraw/zinc/33/63/70/671336370.db2.gz HOIHUDCKLUPXSZ-LBPRGKRZSA-N -1 0 312.351 -0.118 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000732511092 677362550 /nfs/dbraw/zinc/36/25/50/677362550.db2.gz NAWUXJCUJGXRFY-UHFFFAOYSA-N -1 0 306.365 -0.057 20 0 DBADRM COCCn1c(=O)cc([O-])nc1SC[C@@H]1CNC(=O)O1 ZINC000727479200 671349603 /nfs/dbraw/zinc/34/96/03/671349603.db2.gz CILGLSZSIAWAJQ-ZETCQYMHSA-N -1 0 301.324 -0.204 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cc1ccon1 ZINC000262221735 671350267 /nfs/dbraw/zinc/35/02/67/671350267.db2.gz RDLKFROHTPFPIH-JTQLQIEISA-N -1 0 309.322 -0.001 20 0 DBADRM CN(C)S(=O)(=O)Cc1ccc(CN=c2nn[n-]n2C)cc1 ZINC000895434931 671354404 /nfs/dbraw/zinc/35/44/04/671354404.db2.gz FNVGDAQQGCERCV-UHFFFAOYSA-N -1 0 310.383 -0.365 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCOC[C@H]1C[C@H]1CCOC1 ZINC000895571219 671359189 /nfs/dbraw/zinc/35/91/89/671359189.db2.gz WBJXCRYZHHRRSZ-VXGBXAGGSA-N -1 0 315.370 -0.109 20 0 DBADRM Cc1nn(C)cc1[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC000727859547 671389704 /nfs/dbraw/zinc/38/97/04/671389704.db2.gz YJDMSDHZACNAAS-SECBINFHSA-N -1 0 305.338 -0.154 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000896703422 671422461 /nfs/dbraw/zinc/42/24/61/671422461.db2.gz XFRUZQGWYAGMIJ-MNOVXSKESA-N -1 0 301.343 -0.357 20 0 DBADRM O=C([O-])C1(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000262328299 671432412 /nfs/dbraw/zinc/43/24/12/671432412.db2.gz UQIVOSDYXRIKTG-UHFFFAOYSA-N -1 0 322.408 -0.654 20 0 DBADRM O=C(Cc1cnc[nH]1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029492769 671433262 /nfs/dbraw/zinc/43/32/62/671433262.db2.gz JLWWSRZSMCYEEZ-PHIMTYICSA-N -1 0 317.353 -0.349 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)[N-]OCc1ccccn1 ZINC000909542983 671436937 /nfs/dbraw/zinc/43/69/37/671436937.db2.gz YGRCVUSBVUMYAI-UHFFFAOYSA-N -1 0 302.356 -0.632 20 0 DBADRM CCC[C@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000262383866 671446093 /nfs/dbraw/zinc/44/60/93/671446093.db2.gz PCOQMFLTBUNWLO-VIFPVBQESA-N -1 0 318.355 -0.932 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)[C@H](O)C3CCOCC3)C[C@H]1COCC2 ZINC000909561720 671447849 /nfs/dbraw/zinc/44/78/49/671447849.db2.gz BIBUGJPJQSWDCR-YWPYICTPSA-N -1 0 313.350 -0.276 20 0 DBADRM CCCC(=O)N1CCC[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])C1 ZINC000262437159 671454689 /nfs/dbraw/zinc/45/46/89/671454689.db2.gz UBQPWVJTIQPCFB-QMTHXVAHSA-N -1 0 300.355 -0.023 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CC(=O)N(C2CC2)C1 ZINC000866914162 671466182 /nfs/dbraw/zinc/46/61/82/671466182.db2.gz BVCAAALNFWZAFB-CVJBHZAOSA-N -1 0 309.413 -0.298 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CCCN(C)C1=O ZINC000866916312 671467175 /nfs/dbraw/zinc/46/71/75/671467175.db2.gz SOSHLOLUNMWPMS-SECBINFHSA-N -1 0 311.429 -0.051 20 0 DBADRM C[N@@H+](Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001029640406 671475684 /nfs/dbraw/zinc/47/56/84/671475684.db2.gz ZGMVFXWNKFUJJX-SNVBAGLBSA-N -1 0 323.353 -0.321 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000937577846 671490306 /nfs/dbraw/zinc/49/03/06/671490306.db2.gz FKMRLUYSVSRSGG-VIFPVBQESA-N -1 0 318.337 -0.802 20 0 DBADRM O=C(CC1CC1)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000937596514 671497912 /nfs/dbraw/zinc/49/79/12/671497912.db2.gz GJGGWHIJMLNFNR-QMMMGPOBSA-N -1 0 307.310 -0.586 20 0 DBADRM CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000797298766 671498855 /nfs/dbraw/zinc/49/88/55/671498855.db2.gz GMOFYOSDFZCUEH-QMMMGPOBSA-N -1 0 303.340 -0.167 20 0 DBADRM CN1C(=O)c2ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc2C1=O ZINC000262548283 671500765 /nfs/dbraw/zinc/50/07/65/671500765.db2.gz SNTCNSNHGIEUOO-CQSZACIVSA-N -1 0 306.274 -0.522 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC000262557951 671502527 /nfs/dbraw/zinc/50/25/27/671502527.db2.gz VLKXNLSJROOUSO-LBPRGKRZSA-N -1 0 316.335 -0.840 20 0 DBADRM CCC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@@H]2C1 ZINC000985580796 671508317 /nfs/dbraw/zinc/50/83/17/671508317.db2.gz KYXIMFVICBFABP-BDAKNGLRSA-N -1 0 321.337 -0.387 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1cnsn1)c1n[nH]c(=O)[n-]c1=O ZINC001038466802 671525849 /nfs/dbraw/zinc/52/58/49/671525849.db2.gz WEQUNPPZYFJVIM-ZETCQYMHSA-N -1 0 323.338 -0.861 20 0 DBADRM O=C(NC[C@@H]1CC[N@@H+]1C[C@H]1CCCOC1)c1n[nH]c(=O)[n-]c1=O ZINC001038466674 671526107 /nfs/dbraw/zinc/52/61/07/671526107.db2.gz UZSRUOFKQPEVQM-ZJUUUORDSA-N -1 0 323.353 -0.487 20 0 DBADRM CCN1CCC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1=O ZINC000928870727 671531073 /nfs/dbraw/zinc/53/10/73/671531073.db2.gz WRADAEFOSXIWDF-JTQLQIEISA-N -1 0 303.322 -0.237 20 0 DBADRM C[C@@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1ccnn1C ZINC000986066509 671558698 /nfs/dbraw/zinc/55/86/98/671558698.db2.gz OIFWDZNZAZFRSF-NXEZZACHSA-N -1 0 319.369 -0.765 20 0 DBADRM C[C@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)c1ccnn1C ZINC000986066511 671558959 /nfs/dbraw/zinc/55/89/59/671558959.db2.gz OIFWDZNZAZFRSF-VHSXEESVSA-N -1 0 319.369 -0.765 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NCc3ncnn3C)[C@H]2C)c1[O-] ZINC000986163656 671569674 /nfs/dbraw/zinc/56/96/74/671569674.db2.gz XPOLXFUIANIKKQ-ZJUUUORDSA-N -1 0 319.369 -0.055 20 0 DBADRM COCC(=O)N1CCC(C[N@H+](C)Cc2nc(=O)n(C)[nH]2)CC1 ZINC001029923406 671571045 /nfs/dbraw/zinc/57/10/45/671571045.db2.gz AFQAETFSBVLNRM-UHFFFAOYSA-N -1 0 311.386 -0.575 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H]1CC2(CO1)CCOCC2 ZINC000923908341 671597767 /nfs/dbraw/zinc/59/77/67/671597767.db2.gz QCGDHRPTDIHGBH-JTQLQIEISA-N -1 0 301.343 -0.451 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)F ZINC000798828579 671607842 /nfs/dbraw/zinc/60/78/42/671607842.db2.gz UUBISJGNRQXCDL-QMMMGPOBSA-N -1 0 316.326 -0.955 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000729092598 671633387 /nfs/dbraw/zinc/63/33/87/671633387.db2.gz CKQKLXPNGAKXSX-ZCFIWIBFSA-N -1 0 322.774 -0.207 20 0 DBADRM NC(=O)NCCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000729096534 671634145 /nfs/dbraw/zinc/63/41/45/671634145.db2.gz MHOKHAGZJSBKCN-SNVBAGLBSA-N -1 0 321.399 -0.160 20 0 DBADRM CC(=O)N[C@@H]1CCCCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000987093517 671645198 /nfs/dbraw/zinc/64/51/98/671645198.db2.gz BYBMZAZTUKSACF-SECBINFHSA-N -1 0 309.326 -0.196 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000729188642 671646189 /nfs/dbraw/zinc/64/61/89/671646189.db2.gz JWYMCMICZKCFEY-SECBINFHSA-N -1 0 301.368 -0.546 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263200907 671658149 /nfs/dbraw/zinc/65/81/49/671658149.db2.gz XIKSRQCIKDLPEM-OPRDCNLKSA-N -1 0 306.384 -0.022 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cn1 ZINC000799796733 671663508 /nfs/dbraw/zinc/66/35/08/671663508.db2.gz QJYXMLHCPSCNQS-UHFFFAOYSA-N -1 0 300.296 -0.823 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263243516 671667598 /nfs/dbraw/zinc/66/75/98/671667598.db2.gz RYDMXNMXAIRJIT-UTLUCORTSA-N -1 0 306.384 -0.165 20 0 DBADRM CC(C)C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC000987364372 671678967 /nfs/dbraw/zinc/67/89/67/671678967.db2.gz POCYRBTYTHJRCD-BDAKNGLRSA-N -1 0 311.342 -0.549 20 0 DBADRM CC(C)C(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)[C@@H]1C ZINC000987362126 671680513 /nfs/dbraw/zinc/68/05/13/671680513.db2.gz INAHMYGLTAGELQ-KOLCDFICSA-N -1 0 322.365 -0.139 20 0 DBADRM CC(=O)N1CC[C@@H](CN(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000987630651 671703246 /nfs/dbraw/zinc/70/32/46/671703246.db2.gz NGEMMOUCTASYKQ-JTQLQIEISA-N -1 0 308.338 -0.574 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000321685363 671739299 /nfs/dbraw/zinc/73/92/99/671739299.db2.gz USFZFKRCXYIVGP-QMMMGPOBSA-N -1 0 323.353 -0.090 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C(=O)C1CC1 ZINC000988172396 671750139 /nfs/dbraw/zinc/75/01/39/671750139.db2.gz LFKORHGMBLOLDR-VIFPVBQESA-N -1 0 323.353 -0.594 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccc[nH]1 ZINC000937672290 671803441 /nfs/dbraw/zinc/80/34/41/671803441.db2.gz DGTFJHBDECDQDZ-ZETCQYMHSA-N -1 0 318.293 -0.745 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NCc3nnn(C)n3)C[C@H]2C)c1[O-] ZINC000988661444 671832044 /nfs/dbraw/zinc/83/20/44/671832044.db2.gz IQJPALCIIYYMNP-VXNVDRBHSA-N -1 0 320.357 -0.660 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)c1[O-] ZINC000937831122 671840278 /nfs/dbraw/zinc/84/02/78/671840278.db2.gz CSUTWBTYTFBKPU-JTQLQIEISA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H]3COCCO3)C2)c1[O-] ZINC000937833067 671840282 /nfs/dbraw/zinc/84/02/82/671840282.db2.gz WMQGDLMDUCQVIA-VHSXEESVSA-N -1 0 324.337 -0.830 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cn[nH]n3)C2)c1[O-] ZINC000937830671 671840363 /nfs/dbraw/zinc/84/03/63/671840363.db2.gz KZOFMHJZDNQWJK-ZETCQYMHSA-N -1 0 305.298 -0.814 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnon3)C2)c1[O-] ZINC000937837211 671840804 /nfs/dbraw/zinc/84/08/04/671840804.db2.gz XDUXBTPKBWQWJM-ZETCQYMHSA-N -1 0 306.282 -0.549 20 0 DBADRM C[S@](=O)c1ccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000738142044 671861930 /nfs/dbraw/zinc/86/19/30/671861930.db2.gz OYCDXBYHMIFOQQ-QFIPXVFZSA-N -1 0 324.358 -0.207 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)CCC(=O)NCCNC(C)=O ZINC000262410956 671869058 /nfs/dbraw/zinc/86/90/58/671869058.db2.gz OAGPIRYCZVHRSX-UHFFFAOYSA-N -1 0 301.343 -0.658 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N(CC(=O)[O-])C(C)C ZINC000262403954 671869201 /nfs/dbraw/zinc/86/92/01/671869201.db2.gz HWLSGKVNSMXBHF-UHFFFAOYSA-N -1 0 324.399 -0.348 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC000989113918 671879608 /nfs/dbraw/zinc/87/96/08/671879608.db2.gz MNKZDGLMJLKACW-IUYFFOMESA-N -1 0 321.337 -0.032 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000729913374 672498185 /nfs/dbraw/zinc/49/81/85/672498185.db2.gz WLXZTLYSSJNNMS-SECBINFHSA-N -1 0 303.384 -0.302 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H]1C ZINC000989307948 672475193 /nfs/dbraw/zinc/47/51/93/672475193.db2.gz XNAWUYBCKNZYPZ-KCJUWKMLSA-N -1 0 318.337 -0.803 20 0 DBADRM O=C([N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)c1cocn1 ZINC000729887647 672496482 /nfs/dbraw/zinc/49/64/82/672496482.db2.gz YPTLGBKFFOSWKM-UHFFFAOYSA-N -1 0 320.290 -0.231 20 0 DBADRM Cc1ocnc1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000729887504 672496629 /nfs/dbraw/zinc/49/66/29/672496629.db2.gz ZUQDVMOAWHFWRC-UHFFFAOYSA-N -1 0 312.307 -0.461 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)N(C)C(C)C)C1 ZINC000729911700 672497713 /nfs/dbraw/zinc/49/77/13/672497713.db2.gz BXFZUSJAGZGNPF-LLVKDONJSA-N -1 0 305.400 -0.054 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2 ZINC000729913610 672497771 /nfs/dbraw/zinc/49/77/71/672497771.db2.gz XZLFMQGEVHGSBS-LLVKDONJSA-N -1 0 321.424 -0.247 20 0 DBADRM O=C(NC1CC1)C1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CC1 ZINC000738018946 672538661 /nfs/dbraw/zinc/53/86/61/672538661.db2.gz GJILLHBNUNQEJG-VIFPVBQESA-N -1 0 306.326 -0.842 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1 ZINC000898279562 672549097 /nfs/dbraw/zinc/54/90/97/672549097.db2.gz GJSGHSDGDIXKDC-QWRGUYRKSA-N -1 0 316.354 -0.129 20 0 DBADRM O=C(c1ccc(=O)[nH]c1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000989599096 672569479 /nfs/dbraw/zinc/56/94/79/672569479.db2.gz GFGUTJDDUSYLMM-UHFFFAOYSA-N -1 0 318.337 -0.041 20 0 DBADRM Cc1cc(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)no1 ZINC000990157480 672662607 /nfs/dbraw/zinc/66/26/07/672662607.db2.gz ZQBUGZCNGMVEDX-UHFFFAOYSA-N -1 0 305.294 -0.025 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cnn(C)c3C)C2)c1[O-] ZINC000990258083 672697094 /nfs/dbraw/zinc/69/70/94/672697094.db2.gz PIFQECAYWSXEIZ-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1cc(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)[nH]n1 ZINC000990353937 672757088 /nfs/dbraw/zinc/75/70/88/672757088.db2.gz ONYZEPUOWLUULU-UHFFFAOYSA-N -1 0 304.310 -0.290 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCCN1CCF ZINC000994293334 677421552 /nfs/dbraw/zinc/42/15/52/677421552.db2.gz AQBQCQUTXGGBLR-DTWKUNHWSA-N -1 0 301.322 -0.372 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)[C@@H]1CCOC[C@@H]1C ZINC000921380180 677503088 /nfs/dbraw/zinc/50/30/88/677503088.db2.gz JESVRCKQHSJNOQ-GARJFASQSA-N -1 0 309.384 -0.091 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C3CN(CCF)C3)CC2)c1[O-] ZINC000941381214 677796655 /nfs/dbraw/zinc/79/66/55/677796655.db2.gz ZOYQUUNQRZUOPV-UHFFFAOYSA-N -1 0 311.361 -0.165 20 0 DBADRM COc1cccc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001031189581 677340390 /nfs/dbraw/zinc/34/03/90/677340390.db2.gz GUEHRGULHIEHSF-UHFFFAOYSA-N -1 0 304.310 -0.472 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn2c1CCCC2 ZINC001031207981 677345079 /nfs/dbraw/zinc/34/50/79/677345079.db2.gz QCHJILXXSKVFBZ-UHFFFAOYSA-N -1 0 317.353 -0.343 20 0 DBADRM O=C(NC[C@]1(N2CCOCC2)CCSC1)c1cc(=O)[nH][n-]1 ZINC000731870050 677346379 /nfs/dbraw/zinc/34/63/79/677346379.db2.gz JFVVGTVEQOUWIC-CYBMUJFWSA-N -1 0 312.395 -0.814 20 0 DBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc(=O)[nH][n-]1 ZINC000731867563 677346718 /nfs/dbraw/zinc/34/67/18/677346718.db2.gz XAGYOISAEPJKSE-UHFFFAOYSA-N -1 0 324.362 -0.571 20 0 DBADRM COc1ccc(OC)c([C@H](O)CNC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000731868863 677346785 /nfs/dbraw/zinc/34/67/85/677346785.db2.gz AFNMLKGAYXVTBZ-LLVKDONJSA-N -1 0 307.306 -0.271 20 0 DBADRM O=C(Cn1cccc(C(F)(F)F)c1=O)NCc1nnn[n-]1 ZINC000731873557 677346928 /nfs/dbraw/zinc/34/69/28/677346928.db2.gz VVBXOACGYNBYRA-UHFFFAOYSA-N -1 0 302.216 -0.303 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)Cc1ccc(OC)c(F)c1 ZINC000731921320 677347855 /nfs/dbraw/zinc/34/78/55/677347855.db2.gz SFBVFAQBRPPSDX-UHFFFAOYSA-N -1 0 319.310 -0.004 20 0 DBADRM CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732091324 677350408 /nfs/dbraw/zinc/35/04/08/677350408.db2.gz ZFLLNRAXSIMLPS-WDEREUQCSA-N -1 0 322.369 -0.253 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732090278 677350561 /nfs/dbraw/zinc/35/05/61/677350561.db2.gz RXJOUYJQGDNXNP-BDAKNGLRSA-N -1 0 312.355 -0.979 20 0 DBADRM C[C@H](NC(=O)C1CCCC1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732090443 677350955 /nfs/dbraw/zinc/35/09/55/677350955.db2.gz WTVCYVYTTXSDKX-GXSJLCMTSA-N -1 0 322.369 -0.206 20 0 DBADRM CN(C)c1ncccc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732089667 677350958 /nfs/dbraw/zinc/35/09/58/677350958.db2.gz ADGBIARARMKXEG-SNVBAGLBSA-N -1 0 303.326 -0.126 20 0 DBADRM O=C(CN1C(=O)COc2ccc(Cl)cc21)NCc1nnn[n-]1 ZINC000732157796 677351543 /nfs/dbraw/zinc/35/15/43/677351543.db2.gz HEOCGVZPBDKEEX-UHFFFAOYSA-N -1 0 322.712 -0.105 20 0 DBADRM CCC(CC)[C@@H](O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000732300559 677352931 /nfs/dbraw/zinc/35/29/31/677352931.db2.gz BEQVEJVPUUOXFX-NSHDSACASA-N -1 0 307.354 -0.016 20 0 DBADRM O=C(NCCCNC(=O)c1ccc(F)cc1)c1cc(=O)[nH][n-]1 ZINC000732292947 677353149 /nfs/dbraw/zinc/35/31/49/677353149.db2.gz VPEHIRDRAOTJLC-UHFFFAOYSA-N -1 0 306.297 -0.062 20 0 DBADRM O=C(OCC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@H]1CNC(=O)N1 ZINC000732362139 677357100 /nfs/dbraw/zinc/35/71/00/677357100.db2.gz NLXFMJZTDCVIEZ-MRVPVSSYSA-N -1 0 324.318 -0.767 20 0 DBADRM CCOCCO[C@H](C)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737877382 677360166 /nfs/dbraw/zinc/36/01/66/677360166.db2.gz KVGYFGAKONBMHM-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM CC(C)n1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001031244205 677361066 /nfs/dbraw/zinc/36/10/66/677361066.db2.gz SEKODZFKOMTWCD-UHFFFAOYSA-N -1 0 305.342 -0.098 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737724600 677361477 /nfs/dbraw/zinc/36/14/77/677361477.db2.gz RJJPFSHPIOIYEL-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2 ZINC000732507981 677362093 /nfs/dbraw/zinc/36/20/93/677362093.db2.gz IDIPZPIBNXBEFC-LLVKDONJSA-N -1 0 322.408 -0.466 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O ZINC000732506992 677362098 /nfs/dbraw/zinc/36/20/98/677362098.db2.gz YHZGRPUQWZXFPW-UHFFFAOYSA-N -1 0 306.340 -0.992 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1 ZINC000732507135 677362134 /nfs/dbraw/zinc/36/21/34/677362134.db2.gz RFQIWTSTWVEPFG-UHFFFAOYSA-N -1 0 300.336 -0.118 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC000732505328 677362155 /nfs/dbraw/zinc/36/21/55/677362155.db2.gz DELVOIWJABKEMN-UHFFFAOYSA-N -1 0 302.352 -0.279 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cs1 ZINC000732507688 677362185 /nfs/dbraw/zinc/36/21/85/677362185.db2.gz FQSLYECSGZERJN-UHFFFAOYSA-N -1 0 306.365 -0.057 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000732521583 677363741 /nfs/dbraw/zinc/36/37/41/677363741.db2.gz YEYZEUBZTVLQDH-SNVBAGLBSA-N -1 0 306.384 -0.274 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000732521280 677363551 /nfs/dbraw/zinc/36/35/51/677363551.db2.gz SUUNIQPMLBFKFC-UHFFFAOYSA-N -1 0 317.367 -0.087 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000732521400 677363707 /nfs/dbraw/zinc/36/37/07/677363707.db2.gz NVTMLBIOZKNIHC-UHFFFAOYSA-N -1 0 314.319 -0.277 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCOC)C1 ZINC000732523305 677363950 /nfs/dbraw/zinc/36/39/50/677363950.db2.gz XIWASERDXUMORX-SNVBAGLBSA-N -1 0 306.384 -0.273 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000732523041 677364022 /nfs/dbraw/zinc/36/40/22/677364022.db2.gz GZDCKGDVCSEQOM-JTQLQIEISA-N -1 0 318.395 -0.130 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)CCOC)ccc1=O ZINC000732523051 677364127 /nfs/dbraw/zinc/36/41/27/677364127.db2.gz HGNRHRVFFMTXPV-UHFFFAOYSA-N -1 0 318.351 -0.799 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)cn1 ZINC000732616902 677366389 /nfs/dbraw/zinc/36/63/89/677366389.db2.gz YLNQKBDYUVDHRA-UHFFFAOYSA-N -1 0 314.348 -0.301 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCN1CCSCC1 ZINC000732777683 677371415 /nfs/dbraw/zinc/37/14/15/677371415.db2.gz VSPRFHDPPDVKKE-UHFFFAOYSA-N -1 0 322.394 -0.764 20 0 DBADRM COc1ccc(C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)cc1 ZINC001031298183 677376380 /nfs/dbraw/zinc/37/63/80/677376380.db2.gz UJYUJASHWCTWPE-UHFFFAOYSA-N -1 0 317.349 -0.269 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cnon2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994046529 677401954 /nfs/dbraw/zinc/40/19/54/677401954.db2.gz XWLJUAOXEUSNOV-SFYZADRCSA-N -1 0 307.314 -0.324 20 0 DBADRM Cc1ccncc1CN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001031315062 677416546 /nfs/dbraw/zinc/41/65/46/677416546.db2.gz SFDOCJMASVUAEQ-UHFFFAOYSA-N -1 0 318.337 -0.607 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(Cc2ccccc2F)C1 ZINC001031314671 677416617 /nfs/dbraw/zinc/41/66/17/677416617.db2.gz FUZLGICUPTWREP-UHFFFAOYSA-N -1 0 321.312 -0.171 20 0 DBADRM Cc1cccc(CN2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)c1 ZINC001031315165 677416937 /nfs/dbraw/zinc/41/69/37/677416937.db2.gz XJBUQOZXTPQIID-UHFFFAOYSA-N -1 0 317.349 -0.002 20 0 DBADRM Cc1ccc(CN2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)cc1 ZINC001031316867 677417956 /nfs/dbraw/zinc/41/79/56/677417956.db2.gz RQQQNQHXQIPXBT-UHFFFAOYSA-N -1 0 317.349 -0.002 20 0 DBADRM Cc1c(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001038067617 677421818 /nfs/dbraw/zinc/42/18/18/677421818.db2.gz DZIGZRAOCMGFLX-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)c1ccccc1 ZINC000916747308 677424200 /nfs/dbraw/zinc/42/42/00/677424200.db2.gz UHUPGJHAUDKINM-UHFFFAOYSA-N -1 0 318.376 -0.473 20 0 DBADRM Cc1c[nH]cc1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000916789508 677424428 /nfs/dbraw/zinc/42/44/28/677424428.db2.gz GUCIKXRNOKMMSY-UHFFFAOYSA-N -1 0 310.335 -0.121 20 0 DBADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000916755718 677424497 /nfs/dbraw/zinc/42/44/97/677424497.db2.gz QLOSKUWFTCVGTC-UHFFFAOYSA-N -1 0 323.330 -0.087 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2)c(=O)[nH]c1=O ZINC000916808564 677424878 /nfs/dbraw/zinc/42/48/78/677424878.db2.gz RLIBQUQMVZWDJG-UHFFFAOYSA-N -1 0 323.330 -0.254 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994506574 677435857 /nfs/dbraw/zinc/43/58/57/677435857.db2.gz LCZURJMFXHUHDS-MNOVXSKESA-N -1 0 319.369 -0.124 20 0 DBADRM C[C@@H](C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCC1 ZINC000994510404 677436185 /nfs/dbraw/zinc/43/61/85/677436185.db2.gz ZBTBNHASJMOQOD-SSDOTTSWSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC000994528732 677443341 /nfs/dbraw/zinc/44/33/41/677443341.db2.gz HBKXNGVJEPLCEN-BDAKNGLRSA-N -1 0 321.341 -0.015 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000917795996 677447578 /nfs/dbraw/zinc/44/75/78/677447578.db2.gz NMZMGHMLSBPPKN-LLVKDONJSA-N -1 0 306.322 -0.231 20 0 DBADRM CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000918487907 677457228 /nfs/dbraw/zinc/45/72/28/677457228.db2.gz QHRYOFJCPGMJKE-QMMMGPOBSA-N -1 0 321.376 -0.070 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000918846882 677462858 /nfs/dbraw/zinc/46/28/58/677462858.db2.gz VITHPEYBPFXWLF-VHSXEESVSA-N -1 0 300.359 -0.390 20 0 DBADRM Cc1nnsc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031543331 677465331 /nfs/dbraw/zinc/46/53/31/677465331.db2.gz NNSNVAHTIHETOM-UHFFFAOYSA-N -1 0 309.355 -0.468 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCCC2)C1 ZINC000919670360 677478576 /nfs/dbraw/zinc/47/85/76/677478576.db2.gz YTKDYIVEZAOPHZ-VIFPVBQESA-N -1 0 304.372 -0.766 20 0 DBADRM CCN1CC[C@H](N2CC(CNC(=O)c3[nH]nc(C)c3[O-])C2)C1=O ZINC001031615875 677480249 /nfs/dbraw/zinc/48/02/49/677480249.db2.gz HYAXQAQQCNHQQC-NSHDSACASA-N -1 0 321.381 -0.294 20 0 DBADRM CCc1nc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001031623557 677483723 /nfs/dbraw/zinc/48/37/23/677483723.db2.gz HUMXAMOWCAMUHF-UHFFFAOYSA-N -1 0 306.326 -0.078 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCCOc1ccccc1 ZINC000766926531 677483862 /nfs/dbraw/zinc/48/38/62/677483862.db2.gz HYPYODFYEXPFOA-UHFFFAOYSA-N -1 0 300.336 -0.223 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000921379918 677503210 /nfs/dbraw/zinc/50/32/10/677503210.db2.gz VZLDUABBUJEPRK-MNOVXSKESA-N -1 0 309.384 -0.090 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)[C@@H]1CCOC[C@H]1C ZINC000921380181 677503325 /nfs/dbraw/zinc/50/33/25/677503325.db2.gz JESVRCKQHSJNOQ-OUAUKWLOSA-N -1 0 309.384 -0.091 20 0 DBADRM CCCn1nccc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031701104 677506625 /nfs/dbraw/zinc/50/66/25/677506625.db2.gz VRQVRYXKGOHZEO-UHFFFAOYSA-N -1 0 319.369 -0.021 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn2c1CCC2 ZINC001031717275 677511588 /nfs/dbraw/zinc/51/15/88/677511588.db2.gz KAIROZQFLKYVSV-UHFFFAOYSA-N -1 0 317.353 -0.485 20 0 DBADRM COCC(=O)N1CC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000938313587 677513360 /nfs/dbraw/zinc/51/33/60/677513360.db2.gz VXRFVRSTXHAAJY-QMMMGPOBSA-N -1 0 320.305 -0.095 20 0 DBADRM O=C(CC1CC1)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938349316 677516012 /nfs/dbraw/zinc/51/60/12/677516012.db2.gz FHINXQKHIGLXML-QMMMGPOBSA-N -1 0 307.310 -0.586 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938349282 677516013 /nfs/dbraw/zinc/51/60/13/677516013.db2.gz CSRJSQKJIOFJFP-GJMOJQLCSA-N -1 0 307.310 -0.731 20 0 DBADRM O=C(CCC1CC1)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938349402 677516076 /nfs/dbraw/zinc/51/60/76/677516076.db2.gz IJQZWFNMWHDTBZ-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)C2CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000938350235 677516418 /nfs/dbraw/zinc/51/64/18/677516418.db2.gz PRMOFYUHCTYUHL-QMMMGPOBSA-N -1 0 307.310 -0.586 20 0 DBADRM CC[C@H](C)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938350425 677516436 /nfs/dbraw/zinc/51/64/36/677516436.db2.gz WUAUBWGNFPGDJM-YUMQZZPRSA-N -1 0 309.326 -0.340 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)CC2CC2)C1 ZINC000938388783 677519853 /nfs/dbraw/zinc/51/98/53/677519853.db2.gz NMXNOVZXHPJRQJ-VIFPVBQESA-N -1 0 309.326 -0.794 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC000938388549 677520052 /nfs/dbraw/zinc/52/00/52/677520052.db2.gz XZWSJHOBSMDSKX-VIFPVBQESA-N -1 0 320.309 -0.952 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938388601 677520082 /nfs/dbraw/zinc/52/00/82/677520082.db2.gz FDCLLOBSQDTKHE-DTWKUNHWSA-N -1 0 323.353 -0.548 20 0 DBADRM CC[C@H](F)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938388360 677520126 /nfs/dbraw/zinc/52/01/26/677520126.db2.gz QHUARRNVYZFFBM-YUMQZZPRSA-N -1 0 315.305 -0.846 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1[O-] ZINC000938465191 677525273 /nfs/dbraw/zinc/52/52/73/677525273.db2.gz BGAZKXBAXSVFMV-UKKRHICBSA-N -1 0 320.349 -0.353 20 0 DBADRM CN(C(=O)C1CCC1)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938942858 677563922 /nfs/dbraw/zinc/56/39/22/677563922.db2.gz MZEVXHGYJMDUMF-SECBINFHSA-N -1 0 321.337 -0.244 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3ccnnc3)C2)c1[O-] ZINC000938965486 677565771 /nfs/dbraw/zinc/56/57/71/677565771.db2.gz IBUPJDDZMHNJPR-JTQLQIEISA-N -1 0 316.321 -0.142 20 0 DBADRM CN(C(=O)CC1CC1)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938983758 677566275 /nfs/dbraw/zinc/56/62/75/677566275.db2.gz JSBRPVAOXFYWDG-JTQLQIEISA-N -1 0 323.353 -0.451 20 0 DBADRM CN(C(=O)C1CCC1)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938987765 677566979 /nfs/dbraw/zinc/56/69/79/677566979.db2.gz RAQMOTOGDAUKJS-SNVBAGLBSA-N -1 0 323.353 -0.451 20 0 DBADRM CN(C(=O)C1CC1)[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938996950 677568309 /nfs/dbraw/zinc/56/83/09/677568309.db2.gz ZUYILZUNDVBVKE-SNVBAGLBSA-N -1 0 320.349 -0.431 20 0 DBADRM COc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)ccn1 ZINC001031804784 677587475 /nfs/dbraw/zinc/58/74/75/677587475.db2.gz MCEODKQLSXRLOB-UHFFFAOYSA-N -1 0 318.337 -0.224 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(C(=O)c3cnon3)C2)c1[O-] ZINC000939243898 677588834 /nfs/dbraw/zinc/58/88/34/677588834.db2.gz QADRZEFBKZZBTC-QMMMGPOBSA-N -1 0 320.309 -0.207 20 0 DBADRM CCc1c(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001031810392 677591591 /nfs/dbraw/zinc/59/15/91/677591591.db2.gz HNIQGISTAATICO-UHFFFAOYSA-N -1 0 319.369 -0.332 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCO3)C2)c1[O-] ZINC000939288462 677592853 /nfs/dbraw/zinc/59/28/53/677592853.db2.gz IHCUOCAPVNVJRX-ZJUUUORDSA-N -1 0 308.338 -0.067 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC000939341923 677597157 /nfs/dbraw/zinc/59/71/57/677597157.db2.gz IJJFRITZXNGKST-MWLCHTKSSA-N -1 0 317.353 -0.851 20 0 DBADRM Cc1nocc1CN1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001031815833 677599275 /nfs/dbraw/zinc/59/92/75/677599275.db2.gz LSFIKXAQZBOZJG-UHFFFAOYSA-N -1 0 320.309 -0.559 20 0 DBADRM Cc1nonc1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000994938394 677602001 /nfs/dbraw/zinc/60/20/01/677602001.db2.gz JUYOVJRZSIKYKT-UHFFFAOYSA-N -1 0 306.282 -0.630 20 0 DBADRM O=C(NCC1CN(Cc2nccs2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001031817550 677602368 /nfs/dbraw/zinc/60/23/68/677602368.db2.gz JMMSOODFTDPBIW-UHFFFAOYSA-N -1 0 322.350 -0.399 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)c1[O-] ZINC000939718993 677626916 /nfs/dbraw/zinc/62/69/16/677626916.db2.gz RAOCKTQKSSCURL-RKDXNWHRSA-N -1 0 321.337 -0.967 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000252600510 677629309 /nfs/dbraw/zinc/62/93/09/677629309.db2.gz LQXQABXKJKBTKY-OUAUKWLOSA-N -1 0 318.395 -0.020 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC=CC1 ZINC000939816588 677634027 /nfs/dbraw/zinc/63/40/27/677634027.db2.gz JECAKVGVPAFIES-SECBINFHSA-N -1 0 319.321 -0.420 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)c1[O-] ZINC000940039027 677645342 /nfs/dbraw/zinc/64/53/42/677645342.db2.gz WMQGDLMDUCQVIA-NXEZZACHSA-N -1 0 324.337 -0.830 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnnn3C)C2)c1[O-] ZINC000940041453 677645380 /nfs/dbraw/zinc/64/53/80/677645380.db2.gz AXNNGAPBWBJROQ-MRVPVSSYSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)Cc3cnoc3)C2)c1[O-] ZINC000940049599 677645592 /nfs/dbraw/zinc/64/55/92/677645592.db2.gz KPIVHZKMLLKBMJ-SNVBAGLBSA-N -1 0 319.321 -0.015 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]NC(=O)C(=O)NC(C)C)s1 ZINC000069901840 677649000 /nfs/dbraw/zinc/64/90/00/677649000.db2.gz SKGQALHQVQBKFU-UHFFFAOYSA-N -1 0 305.381 -0.109 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cn(C)nn3)C2)c1[O-] ZINC000940254600 677656788 /nfs/dbraw/zinc/65/67/88/677656788.db2.gz OGMFAKIFCXLCMG-MRVPVSSYSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN(C(=O)c3cnon3)CC2)c1[O-] ZINC000940768139 677714425 /nfs/dbraw/zinc/71/44/25/677714425.db2.gz ROXOAEUNLWVPIN-UHFFFAOYSA-N -1 0 320.309 -0.205 20 0 DBADRM CC[C@H](C)C(=O)N1CCN(C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000941319063 677777534 /nfs/dbraw/zinc/77/75/34/677777534.db2.gz GFUMWURMIHQGNN-NSHDSACASA-N -1 0 322.413 -0.115 20 0 DBADRM Cn1cc(Cl)c(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)n1 ZINC000941446153 677805490 /nfs/dbraw/zinc/80/54/90/677805490.db2.gz FJQGQOWZGHMODW-SSDOTTSWSA-N -1 0 323.744 -0.164 20 0 DBADRM Cc1n[nH]c(C)c1C(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000941446447 677805867 /nfs/dbraw/zinc/80/58/67/677805867.db2.gz RZQUXXQEUZLGPR-SECBINFHSA-N -1 0 303.326 -0.211 20 0 DBADRM CC(C)n1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)nn1 ZINC000941446374 677805873 /nfs/dbraw/zinc/80/58/73/677805873.db2.gz OVCHPCXLTOHHJV-SECBINFHSA-N -1 0 318.341 -0.378 20 0 DBADRM COc1cccc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)n1 ZINC000941446389 677805890 /nfs/dbraw/zinc/80/58/90/677805890.db2.gz PORGPCUGRXUKEK-SECBINFHSA-N -1 0 316.321 -0.147 20 0 DBADRM Cc1cc(=O)[nH]cc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031967411 677840410 /nfs/dbraw/zinc/84/04/10/677840410.db2.gz PMEZXJUCHYFXBS-UHFFFAOYSA-N -1 0 318.337 -0.219 20 0 DBADRM O=C(/C=C\C1CC1)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941791728 677852163 /nfs/dbraw/zinc/85/21/63/677852163.db2.gz CURYZHWRQQTCCH-ZBJFTSOASA-N -1 0 319.321 -0.420 20 0 DBADRM O=C(CC1CCC1)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941791933 677852391 /nfs/dbraw/zinc/85/23/91/677852391.db2.gz IFJXDKUVYDMXSH-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM CC[C@@H](C)C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941792709 677852527 /nfs/dbraw/zinc/85/25/27/677852527.db2.gz WUAUBWGNFPGDJM-HTQZYQBOSA-N -1 0 309.326 -0.340 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)C2=CCCC2)C1 ZINC000941933927 677864684 /nfs/dbraw/zinc/86/46/84/677864684.db2.gz GUUWGIXVSRAIIG-SNVBAGLBSA-N -1 0 321.337 -0.483 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cn(C)cn1 ZINC000941951217 677866456 /nfs/dbraw/zinc/86/64/56/677866456.db2.gz QQZRZQJIYNYLNF-NXEZZACHSA-N -1 0 319.369 -0.116 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000942216718 677898352 /nfs/dbraw/zinc/89/83/52/677898352.db2.gz QGYIQUNXUQVPOQ-YUMQZZPRSA-N -1 0 306.330 -0.731 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)Cc3ncc[nH]3)C2)c1[O-] ZINC000942280766 677909623 /nfs/dbraw/zinc/90/96/23/677909623.db2.gz VRHJJXZBUXUPPV-SECBINFHSA-N -1 0 318.337 -0.280 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cncn1C ZINC000942303073 677911956 /nfs/dbraw/zinc/91/19/56/677911956.db2.gz KNVTXDRBSMBHGZ-UWVGGRQHSA-N -1 0 319.369 -0.116 20 0 DBADRM COc1cncc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001032030603 677946216 /nfs/dbraw/zinc/94/62/16/677946216.db2.gz YWSMOMDUGNNCFA-UHFFFAOYSA-N -1 0 319.325 -0.829 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CCN(C(=O)C(F)F)CC1 ZINC000943200601 677982711 /nfs/dbraw/zinc/98/27/11/677982711.db2.gz WUGKNZMQNWKMTH-UHFFFAOYSA-N -1 0 319.268 -0.938 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000943292620 677986868 /nfs/dbraw/zinc/98/68/68/677986868.db2.gz AUYXWRGUKJQZBQ-UHFFFAOYSA-N -1 0 309.326 -0.794 20 0 DBADRM C[C@H]1C[C@H](C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)CCO1 ZINC001032078414 677991303 /nfs/dbraw/zinc/99/13/03/677991303.db2.gz TVNLSMWRVJLRFQ-GXSJLCMTSA-N -1 0 309.370 -0.127 20 0 DBADRM CC(=O)N1CCCC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000943417826 677993381 /nfs/dbraw/zinc/99/33/81/677993381.db2.gz SZWWOHMYAHTNBJ-JTQLQIEISA-N -1 0 308.338 -0.383 20 0 DBADRM CCC(=O)N[C@H]1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000943573237 678004215 /nfs/dbraw/zinc/00/42/15/678004215.db2.gz YGOJYDNAAPKOKQ-ZKCHVHJHSA-N -1 0 309.326 -0.150 20 0 DBADRM CCC(=O)N[C@H]1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000943573659 678005067 /nfs/dbraw/zinc/00/50/67/678005067.db2.gz PHNIWELHIWSQRA-KYZUINATSA-N -1 0 311.342 -0.357 20 0 DBADRM O=C(N[C@H]1CC[C@H](NC(=O)c2cn[nH]n2)CC1)C1=COCCO1 ZINC000943618303 678007300 /nfs/dbraw/zinc/00/73/00/678007300.db2.gz QUNNJNBQMZAPDO-MGCOHNPYSA-N -1 0 321.337 -0.150 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)c1[O-] ZINC000943680739 678009919 /nfs/dbraw/zinc/00/99/19/678009919.db2.gz WCGJLEKGHVOJDY-ZKCHVHJHSA-N -1 0 309.326 -0.934 20 0 DBADRM COc1ncc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001032099252 678012180 /nfs/dbraw/zinc/01/21/80/678012180.db2.gz CJHNTAOUUJWUAD-UHFFFAOYSA-N -1 0 319.325 -0.829 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1C[C@]12CCOC2 ZINC001032112333 678023279 /nfs/dbraw/zinc/02/32/79/678023279.db2.gz ATYIJJKUHUSFFK-YGRLFVJLSA-N -1 0 307.354 -0.515 20 0 DBADRM CNC(=O)CN1CC(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001032125487 678036110 /nfs/dbraw/zinc/03/61/10/678036110.db2.gz PJIPMYORPMMCQK-UHFFFAOYSA-N -1 0 319.321 -0.664 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc(=O)[nH]c1 ZINC001032168660 678050774 /nfs/dbraw/zinc/05/07/74/678050774.db2.gz LZMCPHZLQQQKTQ-UHFFFAOYSA-N -1 0 304.310 -0.527 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CCO1 ZINC000944428713 678080223 /nfs/dbraw/zinc/08/02/23/678080223.db2.gz LXCNDSAWONOPRF-SECBINFHSA-N -1 0 320.305 -0.095 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)C3CC3)CCO2)c1[O-] ZINC000944550411 678099127 /nfs/dbraw/zinc/09/91/27/678099127.db2.gz UZJXPOBORZSEAY-SNVBAGLBSA-N -1 0 308.338 -0.209 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)Cn1cncn1 ZINC000944653587 678111551 /nfs/dbraw/zinc/11/15/51/678111551.db2.gz MTNKPOLVRXMATD-ZJUUUORDSA-N -1 0 320.357 -0.871 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC000945074774 678141279 /nfs/dbraw/zinc/14/12/79/678141279.db2.gz AOFOIJYQAFFDLW-JGVFFNPUSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(C)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC000945183071 678144278 /nfs/dbraw/zinc/14/42/78/678144278.db2.gz KGCHTUFRNRVWFQ-IUCAKERBSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@H]1NC(=O)C1CC1 ZINC000945431515 678155114 /nfs/dbraw/zinc/15/51/14/678155114.db2.gz NGAJNUXQSUPPOW-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM CCC(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC000945433598 678155469 /nfs/dbraw/zinc/15/54/69/678155469.db2.gz FWQUSDKHWNRPBL-GXSJLCMTSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000945549763 678165354 /nfs/dbraw/zinc/16/53/54/678165354.db2.gz BFRCFFHULBMNLR-MWLCHTKSSA-N -1 0 322.365 -0.137 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2[C@H](C)CCCN2C(=O)C(N)=O)c1[O-] ZINC000945802255 678176967 /nfs/dbraw/zinc/17/69/67/678176967.db2.gz QVZJGQXBGQZMNZ-VXNVDRBHSA-N -1 0 323.353 -0.734 20 0 DBADRM CC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000945822425 678179549 /nfs/dbraw/zinc/17/95/49/678179549.db2.gz RMOAOWPAZFMQMF-UWVGGRQHSA-N -1 0 309.326 -0.841 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000945941482 678186713 /nfs/dbraw/zinc/18/67/13/678186713.db2.gz DWASBSMVKFPRDX-APPZFPTMSA-N -1 0 321.341 -0.158 20 0 DBADRM CC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@H]21 ZINC000945995310 678190896 /nfs/dbraw/zinc/19/08/96/678190896.db2.gz HDFSTGJKLUCOOB-RKDXNWHRSA-N -1 0 307.310 -0.634 20 0 DBADRM CCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000946055834 678197016 /nfs/dbraw/zinc/19/70/16/678197016.db2.gz FNSPUNYTOSRXDQ-SFYZADRCSA-N -1 0 309.326 -0.293 20 0 DBADRM O=C(NC[C@@H]1CCC[C@@H]1NC(=O)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC000946085176 678198697 /nfs/dbraw/zinc/19/86/97/678198697.db2.gz QPMDAUGTGFMMIC-IUCAKERBSA-N -1 0 321.337 -0.293 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)Cc1c(C)noc1C ZINC000768212159 678220194 /nfs/dbraw/zinc/22/01/94/678220194.db2.gz LLPFGTYLHVOTNV-UHFFFAOYSA-N -1 0 320.367 -0.057 20 0 DBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(C)(=O)=O ZINC000733676405 678249621 /nfs/dbraw/zinc/24/96/21/678249621.db2.gz YUNHOSNKWVLHEH-VIFPVBQESA-N -1 0 312.413 -0.344 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)COC[C@@H]2CCCO2)cn1 ZINC000733677362 678250108 /nfs/dbraw/zinc/25/01/08/678250108.db2.gz AHTYJESKZAVNAP-VIFPVBQESA-N -1 0 303.340 -0.579 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC000733715036 678253236 /nfs/dbraw/zinc/25/32/36/678253236.db2.gz ODSHJJCZPVWQET-SNVBAGLBSA-N -1 0 302.352 -0.281 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000733704112 678254005 /nfs/dbraw/zinc/25/40/05/678254005.db2.gz XFTLTAVLJHOVMH-VIFPVBQESA-N -1 0 310.397 -0.734 20 0 DBADRM O=C(CSc1nnnn1C1CC1)[N-]S(=O)(=O)CC1CC1 ZINC000733702420 678254321 /nfs/dbraw/zinc/25/43/21/678254321.db2.gz QEDBFOWFVOPTSC-UHFFFAOYSA-N -1 0 317.396 -0.044 20 0 DBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)CC2CC2)CC1=O ZINC000733702935 678254421 /nfs/dbraw/zinc/25/44/21/678254421.db2.gz CTOOWLIDFXOWLI-SNVBAGLBSA-N -1 0 304.368 -0.663 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O ZINC000733716644 678254463 /nfs/dbraw/zinc/25/44/63/678254463.db2.gz DPWCFUPDMWEDPX-QMMMGPOBSA-N -1 0 301.386 -0.708 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733719395 678255645 /nfs/dbraw/zinc/25/56/45/678255645.db2.gz GHLJZQDIGVOTHG-BDAKNGLRSA-N -1 0 306.384 -0.228 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000733718683 678255659 /nfs/dbraw/zinc/25/56/59/678255659.db2.gz VCHRJMWJLNSRAP-KCJUWKMLSA-N -1 0 322.408 -0.467 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000733718685 678255869 /nfs/dbraw/zinc/25/58/69/678255869.db2.gz VCHRJMWJLNSRAP-KWQFWETISA-N -1 0 322.408 -0.467 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1cccc(-n2cnnn2)c1 ZINC000733719373 678255947 /nfs/dbraw/zinc/25/59/47/678255947.db2.gz FYKSMQGBMCZTQX-LLVKDONJSA-N -1 0 323.334 -0.489 20 0 DBADRM C[C@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733723161 678256356 /nfs/dbraw/zinc/25/63/56/678256356.db2.gz KLEYXJMJCDJSPT-ONGXEEELSA-N -1 0 318.395 -0.084 20 0 DBADRM O=C(CN1Cc2ccccc2C1=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733722134 678256470 /nfs/dbraw/zinc/25/64/70/678256470.db2.gz OJINKZWBDVNJGQ-LLVKDONJSA-N -1 0 324.358 -0.123 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000734085701 678273395 /nfs/dbraw/zinc/27/33/95/678273395.db2.gz DDWMNALQQWWLSM-UHFFFAOYSA-N -1 0 316.335 -0.602 20 0 DBADRM O=C([C@@H]1CCCOC1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032313723 678277126 /nfs/dbraw/zinc/27/71/26/678277126.db2.gz NYKFONGSFZFYPQ-VWYCJHECSA-N -1 0 307.354 -0.278 20 0 DBADRM CC[C@@]1(C)C[C@@H]1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996737949 678288456 /nfs/dbraw/zinc/28/84/56/678288456.db2.gz XDBFLIVLNUWZQX-CLAHSXSESA-N -1 0 321.337 -0.340 20 0 DBADRM CC1(C)CC[C@H]1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996743541 678290636 /nfs/dbraw/zinc/29/06/36/678290636.db2.gz HPLVTCFRYVYTEX-QMMMGPOBSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(NC1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996742154 678290852 /nfs/dbraw/zinc/29/08/52/678290852.db2.gz ALTJIEXXAAKRJM-BRPSZJMVSA-N -1 0 319.321 -0.731 20 0 DBADRM C[C@]1(C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C=CCC1 ZINC000996743662 678291011 /nfs/dbraw/zinc/29/10/11/678291011.db2.gz IIGWVJZBSVUGNU-AWEZNQCLSA-N -1 0 319.321 -0.420 20 0 DBADRM CCC(C)(C)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996742893 678291040 /nfs/dbraw/zinc/29/10/40/678291040.db2.gz FGTKNZTXROGNKF-UHFFFAOYSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@@H](C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCC1 ZINC000996746277 678291803 /nfs/dbraw/zinc/29/18/03/678291803.db2.gz STKYUWWAQRLCCD-SSDOTTSWSA-N -1 0 321.337 -0.340 20 0 DBADRM CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000734972789 678307347 /nfs/dbraw/zinc/30/73/47/678307347.db2.gz NIHZYOJHYJTVDD-QMMMGPOBSA-N -1 0 321.376 -0.070 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C)c(=O)n(C)c1=O ZINC000735217204 678321429 /nfs/dbraw/zinc/32/14/29/678321429.db2.gz XSSXKKROFOLHFM-UHFFFAOYSA-N -1 0 317.367 -0.810 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cnn(C)n2)c1[O-] ZINC001032355442 678341523 /nfs/dbraw/zinc/34/15/23/678341523.db2.gz COCFCMVEYDWFJI-QWRGUYRKSA-N -1 0 317.353 -0.349 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](CC)OC ZINC000735774228 678345000 /nfs/dbraw/zinc/34/50/00/678345000.db2.gz FGNQVHKUGIHJPN-UWVGGRQHSA-N -1 0 322.383 -0.200 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)C(C)(C)OC ZINC000735774211 678345350 /nfs/dbraw/zinc/34/53/50/678345350.db2.gz FAKOFMGFDRCODD-SECBINFHSA-N -1 0 322.383 -0.200 20 0 DBADRM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001032360467 678345796 /nfs/dbraw/zinc/34/57/96/678345796.db2.gz PJRPHZHCGQERHR-UWVGGRQHSA-N -1 0 315.337 -0.292 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(O[C@H]2CCOC2)CC1 ZINC000888324426 678400143 /nfs/dbraw/zinc/40/01/43/678400143.db2.gz YHKNSGQRNZNGKE-NSHDSACASA-N -1 0 310.358 -0.083 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997257569 678423004 /nfs/dbraw/zinc/42/30/04/678423004.db2.gz FROTZXPFTHSAKS-JGVFFNPUSA-N -1 0 309.326 -0.938 20 0 DBADRM CC1(C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CCCC1 ZINC000997259051 678423293 /nfs/dbraw/zinc/42/32/93/678423293.db2.gz YPHDGCSGFBUJKF-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1coc(C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)c1 ZINC000997258242 678423464 /nfs/dbraw/zinc/42/34/64/678423464.db2.gz LSMMFPKBYMWVIJ-UHFFFAOYSA-N -1 0 321.293 -0.768 20 0 DBADRM C[C@@H](CC(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000997259198 678423552 /nfs/dbraw/zinc/42/35/52/678423552.db2.gz BHBZGQGBVSADDT-QMMMGPOBSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1cocc1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997258040 678423748 /nfs/dbraw/zinc/42/37/48/678423748.db2.gz LCEALHCYYVVILF-UHFFFAOYSA-N -1 0 321.293 -0.768 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)[C@@H]2CC23CCC3)C1 ZINC000997262013 678424269 /nfs/dbraw/zinc/42/42/69/678424269.db2.gz UORLJYAQIGQTJT-VIFPVBQESA-N -1 0 321.337 -0.794 20 0 DBADRM Cc1occc1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997262909 678424271 /nfs/dbraw/zinc/42/42/71/678424271.db2.gz CGFQDMUSUPNYEB-UHFFFAOYSA-N -1 0 321.293 -0.768 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)CCC2CC2)C1 ZINC000997268332 678424626 /nfs/dbraw/zinc/42/46/26/678424626.db2.gz ZIWINPXIRCIAIJ-UHFFFAOYSA-N -1 0 309.326 -0.794 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997358416 678433589 /nfs/dbraw/zinc/43/35/89/678433589.db2.gz MFZYXPVHMPWVRK-CBAPKCEASA-N -1 0 306.322 -0.918 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000888327197 678436752 /nfs/dbraw/zinc/43/67/52/678436752.db2.gz UOQSAPRAZYPMIQ-MNOVXSKESA-N -1 0 309.374 -0.558 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000888327200 678436811 /nfs/dbraw/zinc/43/68/11/678436811.db2.gz UPVDTCYKARKVQW-UHFFFAOYSA-N -1 0 321.263 -0.647 20 0 DBADRM C[C@H]1C(=O)NCCN1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000736749123 678443313 /nfs/dbraw/zinc/44/33/13/678443313.db2.gz XMSXAVBMSDVBEO-JQWIXIFHSA-N -1 0 308.334 -0.055 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3c[nH]c(=O)n3C)C2)c1[O-] ZINC000997429430 678458386 /nfs/dbraw/zinc/45/83/86/678458386.db2.gz MKHQRJCGNUGDPS-UHFFFAOYSA-N -1 0 320.309 -0.883 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000888328121 678463480 /nfs/dbraw/zinc/46/34/80/678463480.db2.gz CYHLEMXSGSKYIU-OUJBWJOFSA-N -1 0 310.358 -0.085 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(CC(C)C)C(=O)[C@H]1C ZINC000888330356 678463572 /nfs/dbraw/zinc/46/35/72/678463572.db2.gz UGASQQPQITVHCM-SNVBAGLBSA-N -1 0 309.374 -0.165 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000888328118 678463603 /nfs/dbraw/zinc/46/36/03/678463603.db2.gz CYHLEMXSGSKYIU-CWSCBRNRSA-N -1 0 310.358 -0.085 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(CCOC(C)C)CC1 ZINC000888334732 678464977 /nfs/dbraw/zinc/46/49/77/678464977.db2.gz QYBHSEDQDIMOLS-UHFFFAOYSA-N -1 0 311.390 -0.311 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000888334400 678465170 /nfs/dbraw/zinc/46/51/70/678465170.db2.gz MNZSVXCJLAAJGG-UHFFFAOYSA-N -1 0 305.346 -0.798 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000888334723 678465563 /nfs/dbraw/zinc/46/55/63/678465563.db2.gz QPYPWOKLURBRIN-UHFFFAOYSA-N -1 0 309.374 -0.022 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000888337874 678466240 /nfs/dbraw/zinc/46/62/40/678466240.db2.gz JQJIHOSUYJATMS-NSHDSACASA-N -1 0 321.385 -0.019 20 0 DBADRM CN(C)c1ccnc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1 ZINC000736778644 678477287 /nfs/dbraw/zinc/47/72/87/678477287.db2.gz JASVJHJJROJCHM-LLVKDONJSA-N -1 0 303.326 -0.126 20 0 DBADRM CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001032499278 678478452 /nfs/dbraw/zinc/47/84/52/678478452.db2.gz WMAJRGJBPVDOMV-CIUDSAMLSA-N -1 0 309.326 -0.784 20 0 DBADRM Cn1nccc1C(=O)N1CCC(C[NH2+]Cc2n[nH]c(=O)[n-]2)CC1 ZINC000997604701 678485778 /nfs/dbraw/zinc/48/57/78/678485778.db2.gz INWMRZGPOVAERB-UHFFFAOYSA-N -1 0 319.369 -0.114 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H]1CCC[C@H]1CNC(C)=O ZINC000946254422 678485820 /nfs/dbraw/zinc/48/58/20/678485820.db2.gz RLRIUKPDJZWJFG-IUCAKERBSA-N -1 0 324.337 -0.069 20 0 DBADRM Cc1cncn1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032523147 678490681 /nfs/dbraw/zinc/49/06/81/678490681.db2.gz ZTSCHPKZRYQVRG-QWRGUYRKSA-N -1 0 317.353 -0.499 20 0 DBADRM O=C(N[C@H]1CCC[C@@H]1CNC(=O)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC000946262918 678491880 /nfs/dbraw/zinc/49/18/80/678491880.db2.gz KLDKBOAKUBMMIH-BDAKNGLRSA-N -1 0 321.337 -0.293 20 0 DBADRM CC1(C)CC[C@H]1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997975780 678544814 /nfs/dbraw/zinc/54/48/14/678544814.db2.gz PYXMHBGXMPKAQU-VIFPVBQESA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)(C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000997986996 678545418 /nfs/dbraw/zinc/54/54/18/678545418.db2.gz RJJUPMVVTUBBRY-UHFFFAOYSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC000998803551 678647240 /nfs/dbraw/zinc/64/72/40/678647240.db2.gz BBVIKTIQXDBEAC-VGMNWLOBSA-N -1 0 319.321 -0.446 20 0 DBADRM CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC000998803554 678647712 /nfs/dbraw/zinc/64/77/12/678647712.db2.gz BEAJZJSNTXXPSV-CSMHCCOUSA-N -1 0 307.310 -0.446 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000999091899 678671787 /nfs/dbraw/zinc/67/17/87/678671787.db2.gz SFPPSESLGBFXAG-NKWVEPMBSA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000999091903 678671996 /nfs/dbraw/zinc/67/19/96/678671996.db2.gz SFPPSESLGBFXAG-RQJHMYQMSA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000999093736 678672569 /nfs/dbraw/zinc/67/25/69/678672569.db2.gz MRFXKICZJRRCPB-JGVFFNPUSA-N -1 0 309.326 -0.938 20 0 DBADRM CC(=O)N(C)C1CC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001016136479 678681004 /nfs/dbraw/zinc/68/10/04/678681004.db2.gz ZGGQJBKAIQDMOB-UHFFFAOYSA-N -1 0 318.337 -0.803 20 0 DBADRM O=C(CCc1cn[nH]c1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032674502 678693383 /nfs/dbraw/zinc/69/33/83/678693383.db2.gz SHFSRVUXOYRCNU-QWRGUYRKSA-N -1 0 317.353 -0.349 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cccc2c1OCCC2 ZINC000921687475 678752084 /nfs/dbraw/zinc/75/20/84/678752084.db2.gz GSPQFTVOELHTJT-UHFFFAOYSA-N -1 0 300.336 -0.033 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cccc2c1CCN(C)C2 ZINC000921687607 678752675 /nfs/dbraw/zinc/75/26/75/678752675.db2.gz INOWDIAMQQUDJS-UHFFFAOYSA-N -1 0 313.379 -0.370 20 0 DBADRM Cc1nc[nH]c1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032753796 678812214 /nfs/dbraw/zinc/81/22/14/678812214.db2.gz MUPTVTZKKWVEAB-UWVGGRQHSA-N -1 0 317.353 -0.430 20 0 DBADRM O=C(CC1OCCCO1)N1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC000946554277 678846823 /nfs/dbraw/zinc/84/68/23/678846823.db2.gz MPBHNFLLDFKTRW-UHFFFAOYSA-N -1 0 323.353 -0.321 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)[C@H]1CC12CC2 ZINC001000494712 678847393 /nfs/dbraw/zinc/84/73/93/678847393.db2.gz HSMGSFODXQSJBU-SSDOTTSWSA-N -1 0 305.294 -0.977 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3CC2)c1[O-] ZINC000946556093 678850437 /nfs/dbraw/zinc/85/04/37/678850437.db2.gz IYTQKRFPFNDIQG-PHIMTYICSA-N -1 0 321.381 -0.307 20 0 DBADRM Cn1cnc(C(=O)NCC2=CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1 ZINC001000580986 678856980 /nfs/dbraw/zinc/85/69/80/678856980.db2.gz XJEAOCFZLGXDHV-UHFFFAOYSA-N -1 0 317.353 -0.194 20 0 DBADRM O=C(NCC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1)C1CC1 ZINC001000606224 678858300 /nfs/dbraw/zinc/85/83/00/678858300.db2.gz GEKDGXJLDNRODG-UHFFFAOYSA-N -1 0 315.333 -0.379 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cncnc1 ZINC001000608259 678858985 /nfs/dbraw/zinc/85/89/85/678858985.db2.gz FQGLNLXPQUKWEN-UHFFFAOYSA-N -1 0 315.337 -0.138 20 0 DBADRM O=C(NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccoc1 ZINC001000933477 678885206 /nfs/dbraw/zinc/88/52/06/678885206.db2.gz BWVOQVUIJYMLNT-UHFFFAOYSA-N -1 0 319.277 -0.622 20 0 DBADRM Cc1nn[nH]c1C(=O)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001001020869 678893804 /nfs/dbraw/zinc/89/38/04/678893804.db2.gz PKEWACXZZWXLNZ-UHFFFAOYSA-N -1 0 318.341 -0.501 20 0 DBADRM Cn1ncc(C(=O)NCC2=CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001001260401 678922532 /nfs/dbraw/zinc/92/25/32/678922532.db2.gz RYQWSCCUIJULMS-UHFFFAOYSA-N -1 0 318.341 -0.799 20 0 DBADRM O=C(Cn1ccnc1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032814911 678930895 /nfs/dbraw/zinc/93/08/95/678930895.db2.gz PAMNPVQVSRSTCU-UWVGGRQHSA-N -1 0 303.326 -0.808 20 0 DBADRM Cc1c[nH]nc1C(=O)N1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001001457323 678933268 /nfs/dbraw/zinc/93/32/68/678933268.db2.gz XRRMQGYVCXKRQL-UHFFFAOYSA-N -1 0 318.337 -0.043 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3nc[nH]n3)C2)c1[O-] ZINC001001460204 678933802 /nfs/dbraw/zinc/93/38/02/678933802.db2.gz XONYORILSSHKIY-UHFFFAOYSA-N -1 0 305.298 -0.956 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3cncn3C)C2)c1[O-] ZINC001001463072 678934086 /nfs/dbraw/zinc/93/40/86/678934086.db2.gz MURPWXAQZMLDGY-UHFFFAOYSA-N -1 0 318.337 -0.341 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001001471673 678934709 /nfs/dbraw/zinc/93/47/09/678934709.db2.gz LMOLUNYYWHDLRM-SECBINFHSA-N -1 0 323.353 -0.690 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)[C@@H]3CCOC3)C2)c1[O-] ZINC001001452419 678936307 /nfs/dbraw/zinc/93/63/07/678936307.db2.gz HKZFSQYLIIBMQO-SNVBAGLBSA-N -1 0 308.338 -0.352 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)Cc3cc[nH]n3)C2)c1[O-] ZINC001001454429 678936558 /nfs/dbraw/zinc/93/65/58/678936558.db2.gz IQIDILAMEJWJIB-UHFFFAOYSA-N -1 0 318.337 -0.422 20 0 DBADRM CCC(=O)N1CC(CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001001964295 678963468 /nfs/dbraw/zinc/96/34/68/678963468.db2.gz NUQGYPWCSOWKQJ-UHFFFAOYSA-N -1 0 303.322 -0.379 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1=COCCO1 ZINC001002282054 678973722 /nfs/dbraw/zinc/97/37/22/678973722.db2.gz GHPJYYNRTIDPEV-UHFFFAOYSA-N -1 0 309.326 -0.521 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnns1 ZINC001002400200 678980952 /nfs/dbraw/zinc/98/09/52/678980952.db2.gz BYDQABULAIALJU-UHFFFAOYSA-N -1 0 309.355 -0.244 20 0 DBADRM Cc1c[nH]nc1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002770207 679000353 /nfs/dbraw/zinc/00/03/53/679000353.db2.gz OQWOEOARRROUCG-UHFFFAOYSA-N -1 0 305.342 -0.064 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1CC1 ZINC001002764220 679000449 /nfs/dbraw/zinc/00/04/49/679000449.db2.gz KNNDFZWUEINTAO-SNVBAGLBSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003394156 679037557 /nfs/dbraw/zinc/03/75/57/679037557.db2.gz VMNNDEVQRLPVEE-SVRRBLITSA-N -1 0 307.310 -0.873 20 0 DBADRM O=C(/C=C\C1CC1)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003392702 679037825 /nfs/dbraw/zinc/03/78/25/679037825.db2.gz DJZPHIJFKHGZOJ-ARJAWSKDSA-N -1 0 319.321 -0.563 20 0 DBADRM O=C(C=C1CCC1)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003393179 679037849 /nfs/dbraw/zinc/03/78/49/679037849.db2.gz HRTGZOULMDOSAY-UHFFFAOYSA-N -1 0 319.321 -0.419 20 0 DBADRM NC(=O)[C@H]1CC[C@H]1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003430033 679040001 /nfs/dbraw/zinc/04/00/01/679040001.db2.gz VJRIHCRYRXCRMW-VHSXEESVSA-N -1 0 322.369 -0.898 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001003547762 679048195 /nfs/dbraw/zinc/04/81/95/679048195.db2.gz NRLIPGPYIKZVDM-WCBMZHEXSA-N -1 0 320.349 -0.670 20 0 DBADRM CC[C@@H](C)C(=O)N1CC(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001003546703 679048275 /nfs/dbraw/zinc/04/82/75/679048275.db2.gz IAIWSPDFWNNHLJ-SECBINFHSA-N -1 0 322.365 -0.280 20 0 DBADRM CN(C(=O)C1CCOCC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032868510 679067744 /nfs/dbraw/zinc/06/77/44/679067744.db2.gz UVQMGZXUJXOJQJ-LLVKDONJSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3cnon3)C2)c1[O-] ZINC001003808391 679070036 /nfs/dbraw/zinc/07/00/36/679070036.db2.gz NPKXYEVGBWNFLW-UHFFFAOYSA-N -1 0 306.282 -0.691 20 0 DBADRM CN(C(=O)C1=COCCO1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032881461 679071840 /nfs/dbraw/zinc/07/18/40/679071840.db2.gz VCFHGBDSGUAQDH-VIFPVBQESA-N -1 0 309.326 -0.569 20 0 DBADRM Cc1cnc(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001032883065 679072856 /nfs/dbraw/zinc/07/28/56/679072856.db2.gz GHYZRRGPNSJVJI-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM CN(C(=O)c1ccc(=O)[nH]n1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032892395 679074030 /nfs/dbraw/zinc/07/40/30/679074030.db2.gz VCWURPJTIJEANB-MRVPVSSYSA-N -1 0 319.325 -0.648 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)[C@H]1C ZINC001014664225 679076180 /nfs/dbraw/zinc/07/61/80/679076180.db2.gz WKQLKSVAKRNMPV-KWQFWETISA-N -1 0 308.338 -0.385 20 0 DBADRM Cc1cnn(CC(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001032938890 679082569 /nfs/dbraw/zinc/08/25/69/679082569.db2.gz SYRXXJSRENEKGE-LLVKDONJSA-N -1 0 319.369 -0.252 20 0 DBADRM CN(C(=O)Cc1ccon1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032969437 679089837 /nfs/dbraw/zinc/08/98/37/679089837.db2.gz HKCRLFRTTJDAKJ-SNVBAGLBSA-N -1 0 306.326 -0.226 20 0 DBADRM CN(C(=O)[C@H]1CCNC(=O)C1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032998888 679095718 /nfs/dbraw/zinc/09/57/18/679095718.db2.gz HCJIBCBJDIJYSV-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1cc(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)ncn1 ZINC001033010705 679098381 /nfs/dbraw/zinc/09/83/81/679098381.db2.gz UZVZPWLAIUQTMJ-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN([C@H]3CCN(C)C3=O)C2)c1[O-] ZINC001033013490 679099532 /nfs/dbraw/zinc/09/95/32/679099532.db2.gz FVFNXKPWAQCSBJ-MNOVXSKESA-N -1 0 321.381 -0.199 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(Cc3cn(C)nn3)C2)c1[O-] ZINC001033013220 679099681 /nfs/dbraw/zinc/09/96/81/679099681.db2.gz DCFCPYRGXZKFPY-LLVKDONJSA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN([C@@H]3CCCNC3=O)C2)c1[O-] ZINC001033013442 679099734 /nfs/dbraw/zinc/09/97/34/679099734.db2.gz FJZNJLSEZFPIRL-GHMZBOCLSA-N -1 0 321.381 -0.151 20 0 DBADRM CCn1nncc1C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033058606 679115119 /nfs/dbraw/zinc/11/51/19/679115119.db2.gz VZNRXVCXSFCIBT-SECBINFHSA-N -1 0 320.357 -0.532 20 0 DBADRM CCn1nncc1C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033058610 679115345 /nfs/dbraw/zinc/11/53/45/679115345.db2.gz VZNRXVCXSFCIBT-VIFPVBQESA-N -1 0 320.357 -0.532 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000841782750 805577618 /nfs/dbraw/zinc/57/76/18/805577618.db2.gz BWEXADPJBVGUAT-SECBINFHSA-N -1 0 312.706 -0.012 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000842053063 805580900 /nfs/dbraw/zinc/58/09/00/805580900.db2.gz HRRXRHMXGLEVHG-SCZZXKLOSA-N -1 0 310.281 -0.260 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000842053071 805581000 /nfs/dbraw/zinc/58/10/00/805581000.db2.gz HRRXRHMXGLEVHG-WPRPVWTQSA-N -1 0 310.281 -0.260 20 0 DBADRM C[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)C(=O)OC(C)(C)C ZINC000842313539 805589291 /nfs/dbraw/zinc/58/92/91/805589291.db2.gz PDIBUHYWMZNKNE-SECBINFHSA-N -1 0 322.383 -0.343 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000842318176 805589313 /nfs/dbraw/zinc/58/93/13/805589313.db2.gz CTHWYKRMKKLAOE-SECBINFHSA-N -1 0 324.399 -0.097 20 0 DBADRM COC(=O)c1ccnc(C(=O)[N-]S(=O)(=O)N2CCCC2)c1 ZINC000842293271 805589519 /nfs/dbraw/zinc/58/95/19/805589519.db2.gz ONFKKLFHAVJWKM-UHFFFAOYSA-N -1 0 313.335 -0.061 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)CC1=O ZINC000842343808 805590838 /nfs/dbraw/zinc/59/08/38/805590838.db2.gz UFUSUMYQGVRIFP-QMMMGPOBSA-N -1 0 300.340 -0.527 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)CCC(=O)OC)CC1=O ZINC000842355186 805590987 /nfs/dbraw/zinc/59/09/87/805590987.db2.gz DRGVDTJJHLVSRP-SECBINFHSA-N -1 0 320.367 -0.746 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CN(C)[C@@H]1CCSC1 ZINC000842355979 805591111 /nfs/dbraw/zinc/59/11/11/805591111.db2.gz PNBDGNRLNFUJOZ-SECBINFHSA-N -1 0 324.424 -0.567 20 0 DBADRM CCOC(=O)C(C)(C)CC(=O)[N-]S(=O)(=O)CCC(=O)OC ZINC000842358731 805592161 /nfs/dbraw/zinc/59/21/61/805592161.db2.gz WVGFNBCWDAQDPC-UHFFFAOYSA-N -1 0 323.367 -0.025 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cn1 ZINC000842710160 805596812 /nfs/dbraw/zinc/59/68/12/805596812.db2.gz FXFHXPFVKKMULN-SECBINFHSA-N -1 0 313.335 -0.321 20 0 DBADRM Cc1cc(CNC(=O)[C@H](C)C(=O)[O-])ccc1S(N)(=O)=O ZINC000842693808 805597411 /nfs/dbraw/zinc/59/74/11/805597411.db2.gz RVLMNKWIPIRBSU-QMMMGPOBSA-N -1 0 300.336 -0.021 20 0 DBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)N3CCCC3)(C1)C2 ZINC000842697136 805597462 /nfs/dbraw/zinc/59/74/62/805597462.db2.gz MWDDKLYONWMUJW-UHFFFAOYSA-N -1 0 302.352 -0.214 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C)S1(=O)=O ZINC000842715224 805597855 /nfs/dbraw/zinc/59/78/55/805597855.db2.gz QVAZKHMBODZDDS-MRVPVSSYSA-N -1 0 312.413 -0.488 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCc1ccnc(C)n1 ZINC000842748376 805599607 /nfs/dbraw/zinc/59/96/07/805599607.db2.gz CCPAKWTVDQWSHA-UHFFFAOYSA-N -1 0 315.351 -0.273 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)c1cc[n+]([O-])cc1 ZINC000842770177 805599981 /nfs/dbraw/zinc/59/99/81/805599981.db2.gz LOXNWXAXXMPLRE-UHFFFAOYSA-N -1 0 308.319 -0.419 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc[n+]([O-])cc1 ZINC000842763827 805600632 /nfs/dbraw/zinc/60/06/32/805600632.db2.gz CSELTCVKJLRSFU-RKDXNWHRSA-N -1 0 316.335 -0.423 20 0 DBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)(C1)C2 ZINC000842775295 805601636 /nfs/dbraw/zinc/60/16/36/805601636.db2.gz YAOCSSXPFWLJRS-HUUUCTMMSA-N -1 0 305.352 -0.189 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)[C@H]1CCc2ncncc2C1 ZINC000842772242 805601653 /nfs/dbraw/zinc/60/16/53/805601653.db2.gz MLRJQVHRJOJPHE-QMMMGPOBSA-N -1 0 307.335 -0.190 20 0 DBADRM O=C([O-])c1ccc(NCCS(=O)(=O)N2CCOCC2)nc1 ZINC000843035045 805606312 /nfs/dbraw/zinc/60/63/12/805606312.db2.gz SEUYIMNQIHPYIQ-UHFFFAOYSA-N -1 0 315.351 -0.146 20 0 DBADRM COCCn1cc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)nn1 ZINC001296102154 805609653 /nfs/dbraw/zinc/60/96/53/805609653.db2.gz PBPCAWNJGUGXIZ-UHFFFAOYSA-N -1 0 315.289 -0.135 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)NCCCC(=O)[O-] ZINC000843259530 805613677 /nfs/dbraw/zinc/61/36/77/805613677.db2.gz OOWLDDKDUPWAAF-UHFFFAOYSA-N -1 0 322.383 -0.751 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](C(F)F)C2)C1 ZINC000843258698 805613748 /nfs/dbraw/zinc/61/37/48/805613748.db2.gz DMZGDBQCNXJOMK-HRDYMLBCSA-N -1 0 320.292 -0.152 20 0 DBADRM Cc1cc2c(c(Cl)n1)C(=O)N(CC(=O)NCC(=O)[O-])C2=O ZINC000843302725 805616622 /nfs/dbraw/zinc/61/66/22/805616622.db2.gz UYKMGGMOWFKPFS-UHFFFAOYSA-N -1 0 311.681 -0.160 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000843304253 805616915 /nfs/dbraw/zinc/61/69/15/805616915.db2.gz DHEKCVIWVVTLSM-SNVBAGLBSA-N -1 0 319.339 -0.582 20 0 DBADRM Cn1nccc1[C@H](NS(=O)(=O)C[C@@H]1CCCOC1)C(=O)[O-] ZINC000843304864 805617017 /nfs/dbraw/zinc/61/70/17/805617017.db2.gz QNRXAOKUCJNYQI-KOLCDFICSA-N -1 0 317.367 -0.108 20 0 DBADRM O=C([O-])COCC(=O)NCCNC(=O)c1c(F)cccc1F ZINC000843328185 805617840 /nfs/dbraw/zinc/61/78/40/805617840.db2.gz GVJJULSCJVEDFD-UHFFFAOYSA-N -1 0 316.260 -0.088 20 0 DBADRM O=C([O-])COCC(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000843330952 805618063 /nfs/dbraw/zinc/61/80/63/805618063.db2.gz YKFIQXXNBXWYDG-ZETCQYMHSA-N -1 0 312.244 -0.243 20 0 DBADRM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)COCC(=O)[O-])C1 ZINC000843338343 805619356 /nfs/dbraw/zinc/61/93/56/805619356.db2.gz HQWBSNAVTJWLDA-JTQLQIEISA-N -1 0 312.244 -0.385 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000843768866 805633778 /nfs/dbraw/zinc/63/37/78/805633778.db2.gz QSNVZODMMXWUDI-UHFFFAOYSA-N -1 0 315.351 -0.608 20 0 DBADRM O=C(CCN1CCOCC1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000843874576 805637646 /nfs/dbraw/zinc/63/76/46/805637646.db2.gz CZPFACPHEYERPS-UHFFFAOYSA-N -1 0 309.370 -0.061 20 0 DBADRM O=C(CCN1CCOCC1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000843878378 805638256 /nfs/dbraw/zinc/63/82/56/805638256.db2.gz NHIQEYHZLHLXHI-LLVKDONJSA-N -1 0 309.370 -0.061 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1cnn2ccccc12 ZINC000843864587 805638262 /nfs/dbraw/zinc/63/82/62/805638262.db2.gz GWAWKHWUMDRLBB-UHFFFAOYSA-N -1 0 324.362 -0.541 20 0 DBADRM C/C=C(\C)C(=O)N(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001296608447 805645090 /nfs/dbraw/zinc/64/50/90/805645090.db2.gz XWKRNCBJOUWCRO-YCRREMRBSA-N -1 0 323.353 -0.237 20 0 DBADRM Cc1cc(C)n(CC(=O)NCCc2n[n-]c(=S)o2)c(=O)n1 ZINC001296732283 805648622 /nfs/dbraw/zinc/64/86/22/805648622.db2.gz NFIDNGRDEXMWAB-UHFFFAOYSA-N -1 0 309.351 -0.109 20 0 DBADRM CC[C@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000844159074 805650097 /nfs/dbraw/zinc/65/00/97/805650097.db2.gz REQDWJSWLISGEN-MRVPVSSYSA-N -1 0 307.310 -0.643 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000844243823 805653952 /nfs/dbraw/zinc/65/39/52/805653952.db2.gz KYKXLLDKOINPKX-JTQLQIEISA-N -1 0 306.384 -0.117 20 0 DBADRM O=C([O-])CCCC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000844245095 805654233 /nfs/dbraw/zinc/65/42/33/805654233.db2.gz AGTUVVZYJIWBHA-UHFFFAOYSA-N -1 0 308.356 -0.981 20 0 DBADRM CCCCOC(=O)[C@H](C)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000844240346 805654382 /nfs/dbraw/zinc/65/43/82/805654382.db2.gz DPXQVYBOIHLVFM-VHSXEESVSA-N -1 0 307.368 -0.098 20 0 DBADRM CON(C)C(=O)[C@H](CCSC)NC(=O)COCC(=O)[O-] ZINC000844244407 805654458 /nfs/dbraw/zinc/65/44/58/805654458.db2.gz WIKBEZYWOZNRFP-QMMMGPOBSA-N -1 0 308.356 -0.655 20 0 DBADRM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)COCC(=O)[O-] ZINC000844255013 805655185 /nfs/dbraw/zinc/65/51/85/805655185.db2.gz GINCBMYHLNFHKB-JTQLQIEISA-N -1 0 303.311 -0.342 20 0 DBADRM CN(C(=O)COCC(=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000844246970 805655447 /nfs/dbraw/zinc/65/54/47/805655447.db2.gz DALHNCPLYPWYFT-ZETCQYMHSA-N -1 0 312.244 -0.291 20 0 DBADRM COc1ccc(-n2cc(CNC(=O)COCC(=O)[O-])nn2)cc1 ZINC000844254342 805655480 /nfs/dbraw/zinc/65/54/80/805655480.db2.gz QWVXRCJYYWCBRH-UHFFFAOYSA-N -1 0 320.305 -0.007 20 0 DBADRM CCCN(C(=O)CCCc1nnn[n-]1)[C@H]1CC(=O)N(C)C1=O ZINC001296899963 805656148 /nfs/dbraw/zinc/65/61/48/805656148.db2.gz ITIQTCFXNNQZSE-VIFPVBQESA-N -1 0 308.342 -0.482 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1 ZINC000844295470 805657198 /nfs/dbraw/zinc/65/71/98/805657198.db2.gz CAPDSXVNHXZGQS-YIZRAAEISA-N -1 0 323.346 -0.773 20 0 DBADRM O=C(c1cccn2nnnc12)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001297019962 805661806 /nfs/dbraw/zinc/66/18/06/805661806.db2.gz WKIRAXZYMORBDC-MRVPVSSYSA-N -1 0 314.309 -0.032 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000844546536 805662377 /nfs/dbraw/zinc/66/23/77/805662377.db2.gz LWLFDHJHFFOWMJ-UHFFFAOYSA-N -1 0 305.298 -0.149 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1cccc(OCC(N)=O)c1 ZINC000844502961 805662588 /nfs/dbraw/zinc/66/25/88/805662588.db2.gz CSSBEKCCJILRFX-UHFFFAOYSA-N -1 0 310.310 -0.260 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1ccc(-n2nccn2)nc1 ZINC000844509248 805662863 /nfs/dbraw/zinc/66/28/63/805662863.db2.gz SIWWRULSFDYEIZ-UHFFFAOYSA-N -1 0 305.298 -0.149 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844783304 805672046 /nfs/dbraw/zinc/67/20/46/805672046.db2.gz ZTJNWXSXOZTMFV-FBCQKBJTSA-N -1 0 312.706 -0.014 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c(Cl)n1 ZINC000844783602 805672164 /nfs/dbraw/zinc/67/21/64/805672164.db2.gz GUVNPKJHADCPBJ-ZCFIWIBFSA-N -1 0 321.742 -0.350 20 0 DBADRM C[C@H](O)[C@@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844783306 805672169 /nfs/dbraw/zinc/67/21/69/805672169.db2.gz ZTJNWXSXOZTMFV-MHTLYPKNSA-N -1 0 312.706 -0.014 20 0 DBADRM Cc1c(F)cc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1C(=O)[O-] ZINC000844885417 805674209 /nfs/dbraw/zinc/67/42/09/805674209.db2.gz QLXMDRZVZAVMJT-LURJTMIESA-N -1 0 304.299 -0.016 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cnn(-c2ccncc2)c1 ZINC001297166952 805682671 /nfs/dbraw/zinc/68/26/71/805682671.db2.gz GWQRVAGYFYNVFS-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM C[C@@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)n1ccnc1 ZINC000845476663 805706464 /nfs/dbraw/zinc/70/64/64/805706464.db2.gz WYVJOLSOPPGBQU-JTQLQIEISA-N -1 0 302.356 -0.473 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000845508998 805707298 /nfs/dbraw/zinc/70/72/98/805707298.db2.gz MZCAZDCZSWCYTN-JTQLQIEISA-N -1 0 306.384 -0.226 20 0 DBADRM Cc1cc(=O)c(COC(=O)Cn2nc3n(c2=O)CCCC3)n[n-]1 ZINC000845518136 805708216 /nfs/dbraw/zinc/70/82/16/805708216.db2.gz FXHGHCWQMCKHBM-UHFFFAOYSA-N -1 0 319.321 -0.071 20 0 DBADRM CCn1ccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)n1 ZINC000845514673 805708260 /nfs/dbraw/zinc/70/82/60/805708260.db2.gz VEGKUFGMQANXHJ-QMMMGPOBSA-N -1 0 303.340 -0.547 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@@]2(CCSC2)C1 ZINC000845531791 805709567 /nfs/dbraw/zinc/70/95/67/805709567.db2.gz CYBJJTCWZLEYHO-LBPRGKRZSA-N -1 0 303.384 -0.028 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1COc2ccccc2[C@@H]1O ZINC000845531096 805709729 /nfs/dbraw/zinc/70/97/29/805709729.db2.gz AWPPCKIKBKHBEM-GWCFXTLKSA-N -1 0 309.322 -0.152 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 ZINC000845531831 805709866 /nfs/dbraw/zinc/70/98/66/805709866.db2.gz HXHKYWKQGWMHGY-RKDXNWHRSA-N -1 0 307.372 -0.729 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000845530332 805710020 /nfs/dbraw/zinc/71/00/20/805710020.db2.gz LHBVDPQOQQINMX-TUAOUCFPSA-N -1 0 315.370 -0.375 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCSC[C@@H](C(=O)OC)C1 ZINC000845534302 805710487 /nfs/dbraw/zinc/71/04/87/805710487.db2.gz LMYARTHKNSSWQN-VIFPVBQESA-N -1 0 319.383 -0.398 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000845533759 805710557 /nfs/dbraw/zinc/71/05/57/805710557.db2.gz AOEYWQCPRXBYOV-GXFFZTMASA-N -1 0 301.343 -0.357 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000845533757 805710607 /nfs/dbraw/zinc/71/06/07/805710607.db2.gz AOEYWQCPRXBYOV-GWCFXTLKSA-N -1 0 301.343 -0.357 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@@H](CC)S(=O)(=O)[C@@H](C)C1 ZINC000845533703 805710674 /nfs/dbraw/zinc/71/06/74/805710674.db2.gz ZNLXJWDBTVCEFD-VHSXEESVSA-N -1 0 321.399 -0.339 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](CC)C1 ZINC000845533704 805710789 /nfs/dbraw/zinc/71/07/89/805710789.db2.gz ZNLXJWDBTVCEFD-ZJUUUORDSA-N -1 0 321.399 -0.339 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC2(CC1)OCCCO2 ZINC000845533668 805710863 /nfs/dbraw/zinc/71/08/63/805710863.db2.gz YLKLTPOUZPWJEO-UHFFFAOYSA-N -1 0 301.343 -0.007 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC000845535175 805710957 /nfs/dbraw/zinc/71/09/57/805710957.db2.gz RPNDADXMSXOYOK-UHFFFAOYSA-N -1 0 321.399 -0.432 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H](C)C1(OC)CCOCC1 ZINC000845536026 805711000 /nfs/dbraw/zinc/71/10/00/805711000.db2.gz ZXPPRPABMBQBDF-JTQLQIEISA-N -1 0 303.359 -0.063 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000845536542 805712128 /nfs/dbraw/zinc/71/21/28/805712128.db2.gz WUONHFXKBJHHEE-BDAKNGLRSA-N -1 0 300.315 -0.806 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC(C)(C)[C@]1(O)CCOC1 ZINC000845537178 805712389 /nfs/dbraw/zinc/71/23/89/805712389.db2.gz TXBQPXCWJVWTJS-ZDUSSCGKSA-N -1 0 303.359 -0.469 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000845538321 805712456 /nfs/dbraw/zinc/71/24/56/805712456.db2.gz MNQLOYGMAPWMEB-SNVBAGLBSA-N -1 0 321.399 -0.337 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000845543190 805713022 /nfs/dbraw/zinc/71/30/22/805713022.db2.gz FLARNHGIIVGXSU-UHFFFAOYSA-N -1 0 307.372 -0.822 20 0 DBADRM Cn1c2ccc(OC(=O)CCc3nnn[n-]3)cc2n(C)c1=O ZINC001297519817 805713204 /nfs/dbraw/zinc/71/32/04/805713204.db2.gz CBBMOCMCDKZMQA-UHFFFAOYSA-N -1 0 302.294 -0.072 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)NCC(=O)[N-]OCC)C1 ZINC000845541949 805713420 /nfs/dbraw/zinc/71/34/20/805713420.db2.gz NIINKSASUOALJF-VIFPVBQESA-N -1 0 301.347 -0.843 20 0 DBADRM CCOCCO[C@H]1CCN(C(=O)NCC(=O)[N-]OCC)C1 ZINC000845542451 805713433 /nfs/dbraw/zinc/71/34/33/805713433.db2.gz YIEZSTLEJIYIPA-NSHDSACASA-N -1 0 303.359 -0.109 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O ZINC000845542682 805713461 /nfs/dbraw/zinc/71/34/61/805713461.db2.gz WBSVBQQYROELEE-NXEZZACHSA-N -1 0 300.359 -0.213 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000845546909 805714388 /nfs/dbraw/zinc/71/43/88/805714388.db2.gz YYYGHEGPNFBRJR-NSHDSACASA-N -1 0 312.370 -0.150 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H](C)CN1CCOCC1 ZINC000845546775 805714552 /nfs/dbraw/zinc/71/45/52/805714552.db2.gz NRALJFUQHNHHML-LLVKDONJSA-N -1 0 302.375 -0.678 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCNC(=O)c1cccnc1 ZINC000845550655 805715963 /nfs/dbraw/zinc/71/59/63/805715963.db2.gz ITFATTXOQZKCSP-UHFFFAOYSA-N -1 0 309.326 -0.822 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCN(C(=O)CC)CC1 ZINC000845553354 805715995 /nfs/dbraw/zinc/71/59/95/805715995.db2.gz TXYVBYYGPSVDMU-UHFFFAOYSA-N -1 0 300.359 -0.292 20 0 DBADRM CC(C)=CC(=O)NC[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001297714455 805723168 /nfs/dbraw/zinc/72/31/68/805723168.db2.gz QORSVYADRWQVJP-QMMMGPOBSA-N -1 0 309.326 -0.269 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)[N-]OCCO)C1 ZINC000845957885 805738002 /nfs/dbraw/zinc/73/80/02/805738002.db2.gz YORZZPSNQNWBDJ-QMTHXVAHSA-N -1 0 316.354 -0.090 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000846002886 805740168 /nfs/dbraw/zinc/74/01/68/805740168.db2.gz TWIAWVQJVJKCSL-UHFFFAOYSA-N -1 0 315.351 -0.560 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C(=O)OC)nc1 ZINC000846003499 805740279 /nfs/dbraw/zinc/74/02/79/805740279.db2.gz DJXYDZHXUVRPLM-UHFFFAOYSA-N -1 0 317.323 -0.786 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000846002623 805740345 /nfs/dbraw/zinc/74/03/45/805740345.db2.gz RKZSQGMHNGCKLM-UHFFFAOYSA-N -1 0 316.335 -0.181 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(c2ccnc(F)c2)CC1 ZINC001298069868 805743661 /nfs/dbraw/zinc/74/36/61/805743661.db2.gz RYXBEIPJEOQJJI-UHFFFAOYSA-N -1 0 322.300 -0.428 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccnc1OC(C)C ZINC000846130828 805744082 /nfs/dbraw/zinc/74/40/82/805744082.db2.gz MCHIVPFVMGZXNR-UHFFFAOYSA-N -1 0 324.337 -0.009 20 0 DBADRM CN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@H](C(=O)[O-])c1ccccc1 ZINC000846116331 805744526 /nfs/dbraw/zinc/74/45/26/805744526.db2.gz SMUNYKNIUDBIGH-MNOVXSKESA-N -1 0 312.347 -0.038 20 0 DBADRM CN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@H](C(=O)[O-])c1ccccc1 ZINC000846116332 805744546 /nfs/dbraw/zinc/74/45/46/805744546.db2.gz SMUNYKNIUDBIGH-QWRGUYRKSA-N -1 0 312.347 -0.038 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CCO2 ZINC000846130864 805744883 /nfs/dbraw/zinc/74/48/83/805744883.db2.gz MUTAUWYWLHXYDB-UHFFFAOYSA-N -1 0 307.306 -0.256 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccnn1C(C)(C)C ZINC000846132711 805744895 /nfs/dbraw/zinc/74/48/95/805744895.db2.gz ACDDXTOAZLQJHW-UHFFFAOYSA-N -1 0 311.342 -0.240 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000846132879 805745159 /nfs/dbraw/zinc/74/51/59/805745159.db2.gz GDGORIZBCQYGOS-UHFFFAOYSA-N -1 0 320.349 -0.199 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(F)ccc1OC ZINC000846132823 805745372 /nfs/dbraw/zinc/74/53/72/805745372.db2.gz DOVPHVMCKSEXKE-UHFFFAOYSA-N -1 0 313.285 -0.043 20 0 DBADRM CCCCn1nccc1NC(=O)C(=O)NCC(=O)[N-]OCC ZINC000846133213 805745486 /nfs/dbraw/zinc/74/54/86/805745486.db2.gz NGUUGFIIXCBDPK-UHFFFAOYSA-N -1 0 311.342 -0.194 20 0 DBADRM CCC[C@H](C)[C@@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000846369426 805754475 /nfs/dbraw/zinc/75/44/75/805754475.db2.gz XORWBZZWJWCRQT-GXSJLCMTSA-N -1 0 307.354 -0.016 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000846492656 805756582 /nfs/dbraw/zinc/75/65/82/805756582.db2.gz CEAGNMMXKQBYTJ-UHFFFAOYSA-N -1 0 319.314 -0.729 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(C)(C)NC(=O)COC(C)(C)C ZINC000846492704 805756641 /nfs/dbraw/zinc/75/66/41/805756641.db2.gz VZALRFKNDWRDFV-UHFFFAOYSA-N -1 0 317.386 -0.120 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000846492885 805757133 /nfs/dbraw/zinc/75/71/33/805757133.db2.gz GFQTUGJJICCHDA-NEPJUHHUSA-N -1 0 322.321 -0.859 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000846494137 805758052 /nfs/dbraw/zinc/75/80/52/805758052.db2.gz OQLMKJCWICPCNQ-UHFFFAOYSA-N -1 0 306.365 -0.051 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cc(C)nc2c1c(=O)[nH]n2C ZINC000846496125 805758118 /nfs/dbraw/zinc/75/81/18/805758118.db2.gz HLRTUMGCCZWGND-UHFFFAOYSA-N -1 0 307.310 -0.220 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000846496838 805758209 /nfs/dbraw/zinc/75/82/09/805758209.db2.gz OYQUQCBLVPUUEQ-RQJHMYQMSA-N -1 0 311.260 -0.373 20 0 DBADRM COC(=O)[C@H](NC(=O)c1cc(=O)[nH][n-]1)[C@@H]1CCC[C@H](OC)C1 ZINC000846596116 805765520 /nfs/dbraw/zinc/76/55/20/805765520.db2.gz QJGOUBTYVCSSQP-VDDIYKPWSA-N -1 0 311.338 -0.275 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2cnccn2)c1[O-] ZINC001298228142 805770048 /nfs/dbraw/zinc/77/00/48/805770048.db2.gz PUDCANOQWIVULH-IHWYPQMZSA-N -1 0 316.321 -0.070 20 0 DBADRM C[C@@H](C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001298335311 805789069 /nfs/dbraw/zinc/78/90/69/805789069.db2.gz QFKRHDIWYFVBRR-UFUPEUMYSA-N -1 0 321.337 -0.269 20 0 DBADRM NC(=O)CN(CC(N)=O)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000847431073 805798941 /nfs/dbraw/zinc/79/89/41/805798941.db2.gz MNSWYTYMDVWWPN-UHFFFAOYSA-N -1 0 319.239 -0.176 20 0 DBADRM O=C(CCCF)NC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001298491877 805809219 /nfs/dbraw/zinc/80/92/19/805809219.db2.gz QAIZOUQORWQSGM-UPHRSURJSA-N -1 0 315.305 -0.772 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(OC)cnc1F ZINC000847660375 805810500 /nfs/dbraw/zinc/81/05/00/805810500.db2.gz PALQDJXTADLLMH-UHFFFAOYSA-N -1 0 321.330 -0.218 20 0 DBADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC000847643958 805810645 /nfs/dbraw/zinc/81/06/45/805810645.db2.gz JPCHJONNQUAGHR-VIFPVBQESA-N -1 0 318.399 -0.228 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc(N(C)C)cn1 ZINC000847648248 805810981 /nfs/dbraw/zinc/81/09/81/805810981.db2.gz RXEITSRATNIPSY-MRVPVSSYSA-N -1 0 302.356 -0.363 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(OC)cnc1F ZINC000847680060 805812133 /nfs/dbraw/zinc/81/21/33/805812133.db2.gz BYAFEYILQBQKTM-ZCFIWIBFSA-N -1 0 320.298 -0.150 20 0 DBADRM CC(C)(C)OC(=O)CCCCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000847678712 805811687 /nfs/dbraw/zinc/81/16/87/805811687.db2.gz HSIWKURBAGVCSB-UHFFFAOYSA-N -1 0 322.383 -0.180 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cnc(N(C)C)cn1 ZINC000847693866 805812400 /nfs/dbraw/zinc/81/24/00/805812400.db2.gz ACVBDTSKODYOJX-QMMMGPOBSA-N -1 0 302.356 -0.363 20 0 DBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CCCO[C@H]32)on1 ZINC000847995190 805818672 /nfs/dbraw/zinc/81/86/72/805818672.db2.gz BKCPKDQGZBXWRT-JISRMSBWSA-N -1 0 315.307 -0.997 20 0 DBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)on1 ZINC000847995192 805818891 /nfs/dbraw/zinc/81/88/91/805818891.db2.gz BKCPKDQGZBXWRT-NGESMGFYSA-N -1 0 315.307 -0.997 20 0 DBADRM CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995535 805819126 /nfs/dbraw/zinc/81/91/26/805819126.db2.gz HEYJMOGUAABTDP-CAHLUQPWSA-N -1 0 303.296 -0.997 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)C(C)C ZINC000847998353 805819613 /nfs/dbraw/zinc/81/96/13/805819613.db2.gz SYUMMDPLLLYOCM-MRVPVSSYSA-N -1 0 305.312 -0.751 20 0 DBADRM C[C@@H]1C[C@H](C)[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)O1 ZINC000847998087 805819728 /nfs/dbraw/zinc/81/97/28/805819728.db2.gz LBYBXOBXANMRDO-MYINAIGISA-N -1 0 317.323 -0.608 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848364295 805836389 /nfs/dbraw/zinc/83/63/89/805836389.db2.gz LBEXVAXOVPQYJY-ZETCQYMHSA-N -1 0 313.339 -0.298 20 0 DBADRM CC(C)[C@H](CNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000848451335 805838354 /nfs/dbraw/zinc/83/83/54/805838354.db2.gz RWSFCZNHXKRMDM-GZTOBOFZSA-N -1 0 323.349 -0.430 20 0 DBADRM CC(C)[C@@H](CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000848451338 805838582 /nfs/dbraw/zinc/83/85/82/805838582.db2.gz RWSFCZNHXKRMDM-MVIFTORASA-N -1 0 323.349 -0.430 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)CCO1 ZINC000848595559 805840902 /nfs/dbraw/zinc/84/09/02/805840902.db2.gz YZERJIUEPHFJIF-ZJUUUORDSA-N -1 0 313.310 -0.535 20 0 DBADRM COC(=O)[C@]12CN(C(=O)NC[C@H](C)C(=O)[O-])C[C@H]1COCC2 ZINC000848586973 805840949 /nfs/dbraw/zinc/84/09/49/805840949.db2.gz FLAYMFIAXBMROA-PKFCDNJMSA-N -1 0 314.338 -0.072 20 0 DBADRM CC(C)[C@H](CNC(=O)NC[C@@H]1CC(C(N)=O)=NO1)C(=O)[O-] ZINC000848582470 805841518 /nfs/dbraw/zinc/84/15/18/805841518.db2.gz MGHVJNQRJXCWRC-YUMQZZPRSA-N -1 0 300.315 -0.727 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCCC2(C1)OCCO2)C(=O)[O-] ZINC000848608356 805842206 /nfs/dbraw/zinc/84/22/06/805842206.db2.gz FDUZQUFHZDHBNG-VIFPVBQESA-N -1 0 300.311 -0.811 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCC[S@](=O)C(C)(C)C)C(=O)[O-] ZINC000848608050 805842292 /nfs/dbraw/zinc/84/22/92/805842292.db2.gz OVOPQUXJLHJUDJ-SQFXPLBJSA-N -1 0 306.384 -0.513 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000848607967 805842602 /nfs/dbraw/zinc/84/26/02/805842602.db2.gz MYPWAXDPIWGGTK-IUCAKERBSA-N -1 0 315.326 -0.830 20 0 DBADRM C[C@H](CNC(=O)C(=O)NC[C@H]1COC2(CCCC2)O1)C(=O)[O-] ZINC000848609842 805843018 /nfs/dbraw/zinc/84/30/18/805843018.db2.gz HRTVVHKBPSTSQK-ZJUUUORDSA-N -1 0 314.338 -0.375 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC(=O)N(C)C[C@@H]1C)C(=O)[O-] ZINC000848611097 805843297 /nfs/dbraw/zinc/84/32/97/805843297.db2.gz YYKBETFGXCAXHI-VHSXEESVSA-N -1 0 313.354 -0.852 20 0 DBADRM CCOC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000848609843 805843362 /nfs/dbraw/zinc/84/33/62/805843362.db2.gz JMTYTLNHXSWSCU-VIFPVBQESA-N -1 0 315.326 -0.876 20 0 DBADRM CCC1CCN(S(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-])CC1 ZINC000849219776 805859817 /nfs/dbraw/zinc/85/98/17/805859817.db2.gz WUMGFYIWLGESGK-SNVBAGLBSA-N -1 0 322.383 -0.041 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC000849334905 805863255 /nfs/dbraw/zinc/86/32/55/805863255.db2.gz REBKWBAUGJKOJL-NSHDSACASA-N -1 0 318.330 -0.217 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000850415352 805890631 /nfs/dbraw/zinc/89/06/31/805890631.db2.gz UBWOHOIFHAXYGE-UHFFFAOYSA-N -1 0 321.333 -0.005 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1cc(C)nnc1N(C)C ZINC000850452107 805890760 /nfs/dbraw/zinc/89/07/60/805890760.db2.gz MOECJUQMRHVJOF-UHFFFAOYSA-N -1 0 311.342 -0.126 20 0 DBADRM CSCCO[N-]C(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC000850442125 805890770 /nfs/dbraw/zinc/89/07/70/805890770.db2.gz BJANCUWZTMIHCU-UHFFFAOYSA-N -1 0 315.351 -0.198 20 0 DBADRM CN1C(=O)CO[C@H](C(=O)[N-]S(C)(=O)=O)[C@H]1c1cccnc1 ZINC000850734623 805901905 /nfs/dbraw/zinc/90/19/05/805901905.db2.gz YARPEZRSVIHKDS-MNOVXSKESA-N -1 0 313.335 -0.944 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000850783934 805902228 /nfs/dbraw/zinc/90/22/28/805902228.db2.gz RHKMOCMWPZFXQD-UHFFFAOYSA-N -1 0 322.321 -0.297 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)N1CCCCC1)[C@@H]1CCOC1 ZINC000850788729 805902246 /nfs/dbraw/zinc/90/22/46/805902246.db2.gz FXESCRFGQWTDCK-MNOVXSKESA-N -1 0 306.384 -0.115 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)[N-]S(=O)(=O)N2CCCC2)n1 ZINC000850788644 805902344 /nfs/dbraw/zinc/90/23/44/805902344.db2.gz DJSUKPUDOZNDKG-UHFFFAOYSA-N -1 0 316.387 -0.573 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc2n1CCOC2 ZINC000850844172 805904803 /nfs/dbraw/zinc/90/48/03/805904803.db2.gz VNZIZIXYNGEFDJ-QMMMGPOBSA-N -1 0 303.340 -0.492 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cc(C(=O)OC)oc1C ZINC000850833878 805904809 /nfs/dbraw/zinc/90/48/09/805904809.db2.gz SIGRQEYHAJALIL-UHFFFAOYSA-N -1 0 319.291 -0.393 20 0 DBADRM COC(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)CC1 ZINC000850843762 805904870 /nfs/dbraw/zinc/90/48/70/805904870.db2.gz OKXGFRIXARILHG-JTQLQIEISA-N -1 0 320.367 -0.300 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)C1CCCC1 ZINC000850861700 805905960 /nfs/dbraw/zinc/90/59/60/805905960.db2.gz AHAMFHJJKYBSGA-LLVKDONJSA-N -1 0 306.384 -0.115 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnc2n1CCC2 ZINC000850888619 805906341 /nfs/dbraw/zinc/90/63/41/805906341.db2.gz LYWOBQUZRVBSHG-UHFFFAOYSA-N -1 0 302.356 -0.618 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1c(C2CC2)cnn1C ZINC000850888609 805907090 /nfs/dbraw/zinc/90/70/90/805907090.db2.gz LXWUUGMPPMLMQA-UHFFFAOYSA-N -1 0 316.383 -0.150 20 0 DBADRM CNC(=O)C1(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)CC1 ZINC001301650792 805906955 /nfs/dbraw/zinc/90/69/55/805906955.db2.gz WGVATVLJDIYHIZ-SNVBAGLBSA-N -1 0 300.322 -0.069 20 0 DBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000850972567 805909690 /nfs/dbraw/zinc/90/96/90/805909690.db2.gz YJWUJUNLSFDDQN-NSHDSACASA-N -1 0 317.367 -0.241 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccnn1C(F)F ZINC000850972143 805909697 /nfs/dbraw/zinc/90/96/97/805909697.db2.gz MPPXMXZPWBGIHW-UHFFFAOYSA-N -1 0 306.254 -0.475 20 0 DBADRM COC(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)CC1 ZINC000850974678 805909705 /nfs/dbraw/zinc/90/97/05/805909705.db2.gz ITRSLHUTTRXXFI-UHFFFAOYSA-N -1 0 316.339 -0.307 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cncc(COC)c1 ZINC000850924213 805907899 /nfs/dbraw/zinc/90/78/99/805907899.db2.gz ZREOKUITLIZFDU-UHFFFAOYSA-N -1 0 316.335 -0.149 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CC[C@H]1CC1(Cl)Cl ZINC000850941117 805907933 /nfs/dbraw/zinc/90/79/33/805907933.db2.gz WKSUBIBABUDKFZ-YFKPBYRVSA-N -1 0 303.167 -0.108 20 0 DBADRM CC(C)(C)OC(=O)[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C1CC1 ZINC000850940009 805908224 /nfs/dbraw/zinc/90/82/24/805908224.db2.gz GFHMJPBGXZBXJR-SECBINFHSA-N -1 0 320.367 -0.714 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H](OC)[C@@H]1CCOC1 ZINC000850922648 805908275 /nfs/dbraw/zinc/90/82/75/805908275.db2.gz KTGYCBOKVBRHFG-PSASIEDQSA-N -1 0 309.340 -0.953 20 0 DBADRM O=C(C(=O)N1CCOC[C@@H]1c1nnn[n-]1)c1ccc(O)cc1 ZINC001302138114 805908301 /nfs/dbraw/zinc/90/83/01/805908301.db2.gz XORIDJQKRCHVFW-SNVBAGLBSA-N -1 0 303.278 -0.312 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cnc2n1CCC2 ZINC000850922606 805908296 /nfs/dbraw/zinc/90/82/96/805908296.db2.gz JRZWXKRGYPZPHL-UHFFFAOYSA-N -1 0 301.324 -0.548 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCc2cc(F)ccc21 ZINC000850940197 805908386 /nfs/dbraw/zinc/90/83/86/805908386.db2.gz IXLBJAOHCSUWAC-JTQLQIEISA-N -1 0 300.311 -0.213 20 0 DBADRM COc1cccc(CC(=O)[N-]S(=O)(=O)CC(N)=O)c1Cl ZINC000850940689 805908410 /nfs/dbraw/zinc/90/84/10/805908410.db2.gz OUFOEOBUMDGWBT-UHFFFAOYSA-N -1 0 320.754 -0.178 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC000850943021 805909058 /nfs/dbraw/zinc/90/90/58/805909058.db2.gz NYYRUUFKSAWEDF-YIZRAAEISA-N -1 0 309.340 -0.955 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@]12C[C@H]1COC2(C)C ZINC000850972289 805909160 /nfs/dbraw/zinc/90/91/60/805909160.db2.gz RIQMJAZOGHQOIT-CPCISQLKSA-N -1 0 300.340 -0.565 20 0 DBADRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cnnn1C)[C@H]1CCCO1 ZINC000850972269 805909253 /nfs/dbraw/zinc/90/92/53/805909253.db2.gz QORIUELLYBUILG-RKDXNWHRSA-N -1 0 302.356 -0.175 20 0 DBADRM CCc1c[nH]c(=O)c(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)c1 ZINC000850942462 805909533 /nfs/dbraw/zinc/90/95/33/805909533.db2.gz GZHBOHLHAYXNEV-SSDOTTSWSA-N -1 0 316.335 -0.029 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccnn1C(F)F ZINC000850943173 805909556 /nfs/dbraw/zinc/90/95/56/805909556.db2.gz PHABODRDJDBKLT-RXMQYKEDSA-N -1 0 311.266 -0.101 20 0 DBADRM COC(=O)N1CCC(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)CC1 ZINC000850990004 805910124 /nfs/dbraw/zinc/91/01/24/805910124.db2.gz FXYZWOGHKXFSIZ-VIFPVBQESA-N -1 0 322.383 -0.054 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cnc2n1CCOC2 ZINC000850988239 805910463 /nfs/dbraw/zinc/91/04/63/805910463.db2.gz JRZBHAWUMOJIPE-MRVPVSSYSA-N -1 0 303.340 -0.492 20 0 DBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000850987865 805910636 /nfs/dbraw/zinc/91/06/36/805910636.db2.gz SYCQOCJOIJMGTL-SECBINFHSA-N -1 0 304.324 -0.444 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccc2n[nH]nc2c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000851017045 805910962 /nfs/dbraw/zinc/91/09/62/805910962.db2.gz OKOXOJTYRHCODN-VROVMSAKSA-N -1 0 308.319 -0.345 20 0 DBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000851067328 805911782 /nfs/dbraw/zinc/91/17/82/805911782.db2.gz NYRUXOFSPISDHE-SNVBAGLBSA-N -1 0 305.356 -0.070 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001302937218 805912167 /nfs/dbraw/zinc/91/21/67/805912167.db2.gz LRIYVQNRMOEJRV-VIFPVBQESA-N -1 0 303.326 -0.251 20 0 DBADRM COC[C@@H](NC(=O)C=C(C)CN1CCOCC1)c1nnn[n-]1 ZINC001303580139 805916243 /nfs/dbraw/zinc/91/62/43/805916243.db2.gz QIKROCDBQOOWQQ-PFEDMVJOSA-N -1 0 310.358 -0.718 20 0 DBADRM CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1 ZINC000851135034 805914456 /nfs/dbraw/zinc/91/44/56/805914456.db2.gz BBDZBRSZXNEZKU-NEPJUHHUSA-N -1 0 318.395 -0.132 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)[N-]S(=O)(=O)CC(F)F)CC1 ZINC000851361624 805916084 /nfs/dbraw/zinc/91/60/84/805916084.db2.gz OKJAMNSSODTGIJ-UHFFFAOYSA-N -1 0 319.351 -0.088 20 0 DBADRM COCCC1(C(=O)[N-]S(=O)(=O)C(COC)COC)CC1 ZINC000851500793 805917520 /nfs/dbraw/zinc/91/75/20/805917520.db2.gz FCEPVJOORKLYGG-UHFFFAOYSA-N -1 0 309.384 -0.090 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)C(COC)COC ZINC000851499258 805917545 /nfs/dbraw/zinc/91/75/45/805917545.db2.gz OUMAFTNBGOAXKU-MRVPVSSYSA-N -1 0 310.372 -0.992 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)/C=C\c1ccncn1 ZINC000851501761 805918519 /nfs/dbraw/zinc/91/85/19/805918519.db2.gz CCSRGAGCCFTXTR-ARJAWSKDSA-N -1 0 315.351 -0.403 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@](C)(OC)C1CC1 ZINC000851502196 805918930 /nfs/dbraw/zinc/91/89/30/805918930.db2.gz DFTWFTLGHKNDQU-GFCCVEGCSA-N -1 0 309.384 -0.091 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@](C)(OC)C1CC1 ZINC000851502197 805918962 /nfs/dbraw/zinc/91/89/62/805918962.db2.gz DFTWFTLGHKNDQU-LBPRGKRZSA-N -1 0 309.384 -0.091 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CCO[C@H](C)C1 ZINC000851503408 805919483 /nfs/dbraw/zinc/91/94/83/805919483.db2.gz YLYCEAMBOJBXPX-ZJUUUORDSA-N -1 0 309.384 -0.091 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3ccn4nnnc4c3)C2)nn1 ZINC000851601109 805920360 /nfs/dbraw/zinc/92/03/60/805920360.db2.gz OWEZAGVKNRNGTF-UHFFFAOYSA-N -1 0 314.265 -0.889 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccn3nnnc3c2)C1 ZINC000851604828 805920549 /nfs/dbraw/zinc/92/05/49/805920549.db2.gz BQMIZKZVYJKDNK-ZDUSSCGKSA-N -1 0 305.294 -0.312 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NOC[C@H]1CCOC1)C2 ZINC000851652676 805921748 /nfs/dbraw/zinc/92/17/48/805921748.db2.gz WSKWBBODMQEHEN-OPQQBVKSSA-N -1 0 300.311 -0.303 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])c1 ZINC000851615140 805921821 /nfs/dbraw/zinc/92/18/21/805921821.db2.gz BHRVLLANSXBKSK-KTTDLOKESA-N -1 0 319.317 -0.187 20 0 DBADRM O=C([O-])[C@@]1(F)CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC12CCC2 ZINC000851614678 805921979 /nfs/dbraw/zinc/92/19/79/805921979.db2.gz RDNRPQONPDGJPY-UFBFGSQYSA-N -1 0 320.342 -0.517 20 0 DBADRM CN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000851624276 805922219 /nfs/dbraw/zinc/92/22/19/805922219.db2.gz CVABDEKEHWMGFZ-XTDHWIJXSA-N -1 0 321.333 -0.581 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N2CC3CC2(C(=O)[O-])C3)cc1 ZINC000851615212 805922228 /nfs/dbraw/zinc/92/22/28/805922228.db2.gz CTKPOBBQFKHUGC-UHFFFAOYSA-N -1 0 324.358 -0.048 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@H]2CSCN2C(C)=O)[C@H](C(=O)[O-])C1 ZINC000851622862 805922299 /nfs/dbraw/zinc/92/22/99/805922299.db2.gz WDURZQSKTVOBAQ-OUAUKWLOSA-N -1 0 316.379 -0.002 20 0 DBADRM CCN1CC[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1=O ZINC000851680305 805924299 /nfs/dbraw/zinc/92/42/99/805924299.db2.gz GEFDCZBVDIGBPX-VIFPVBQESA-N -1 0 311.338 -0.906 20 0 DBADRM Cc1cc(C(=O)[N-]N2CC(=O)NC2=O)nn1C1CCOCC1 ZINC001306328384 805925131 /nfs/dbraw/zinc/92/51/31/805925131.db2.gz LWAVXQXRSCHSCL-UHFFFAOYSA-N -1 0 307.310 -0.260 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)nn1 ZINC000851684026 805925489 /nfs/dbraw/zinc/92/54/89/805925489.db2.gz VGTOWQLTMPSFNP-CYBMUJFWSA-N -1 0 309.326 -0.763 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000851683654 805925537 /nfs/dbraw/zinc/92/55/37/805925537.db2.gz LPSLFAOGQDEUDU-HNNXBMFYSA-N -1 0 320.349 -0.233 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cnc2cc(OC)ccc2c1O ZINC001306902637 805927743 /nfs/dbraw/zinc/92/77/43/805927743.db2.gz PYUDBROULSXAJF-UHFFFAOYSA-N -1 0 305.290 -0.056 20 0 DBADRM CON(C)C(=O)C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC001309596878 805938332 /nfs/dbraw/zinc/93/83/32/805938332.db2.gz PFAMZECLTPJRTI-GOSISDBHSA-N -1 0 315.417 -0.263 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001313361943 805960648 /nfs/dbraw/zinc/96/06/48/805960648.db2.gz OLPYQEVIGCMALK-OKILXGFUSA-N -1 0 315.370 -0.779 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H](C)C(=O)NCc1ccccc1 ZINC001313360869 805960826 /nfs/dbraw/zinc/96/08/26/805960826.db2.gz GUMGVAUVPYBHNX-JTQLQIEISA-N -1 0 308.338 -0.332 20 0 DBADRM C[C@@H]1CCN(CCS(N)(=O)=O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757397 805974390 /nfs/dbraw/zinc/97/43/90/805974390.db2.gz DFADXBYEQMHXGX-SFYZADRCSA-N -1 0 317.333 -0.336 20 0 DBADRM O=C([O-])C1(C(=O)NCCCN2CCCS2(=O)=O)CC=CC1 ZINC000852945404 805993955 /nfs/dbraw/zinc/99/39/55/805993955.db2.gz DIWJKTDUKCQPGI-UHFFFAOYSA-N -1 0 316.379 -0.051 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000852941102 805994194 /nfs/dbraw/zinc/99/41/94/805994194.db2.gz AGRBMDUIMZUEON-MRVPVSSYSA-N -1 0 307.372 -0.871 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCCOCCS(C)(=O)=O ZINC000852944868 805994251 /nfs/dbraw/zinc/99/42/51/805994251.db2.gz STZPPZVDMIYFQM-GFCCVEGCSA-N -1 0 307.368 -0.335 20 0 DBADRM NC(=O)c1ccc(/C=C\C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)o1 ZINC000853106825 805997309 /nfs/dbraw/zinc/99/73/09/805997309.db2.gz IWKGYANREUDPSO-FIFYQCSRSA-N -1 0 314.319 -0.373 20 0 DBADRM NC(=O)c1ccc(/C=C/C(=O)[N-]S(=O)(=O)N2CCCC2)o1 ZINC000853101141 805997664 /nfs/dbraw/zinc/99/76/64/805997664.db2.gz UYGZDQJTMXUNJQ-GQCTYLIASA-N -1 0 313.335 -0.152 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C\c1ccc(C(N)=O)o1 ZINC000853106498 805997921 /nfs/dbraw/zinc/99/79/21/805997921.db2.gz ANCXHZSRDDBBON-RZAAKKIOSA-N -1 0 316.335 -0.127 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cnn(C)c1C)OC ZINC000853201874 806001228 /nfs/dbraw/zinc/00/12/28/806001228.db2.gz YKYKBUSYTOBXAG-SECBINFHSA-N -1 0 305.356 -0.550 20 0 DBADRM NC(=O)c1ccc(/C=C/C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)o1 ZINC000853106826 805997954 /nfs/dbraw/zinc/99/79/54/805997954.db2.gz IWKGYANREUDPSO-HDMKULJXSA-N -1 0 314.319 -0.373 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(OC)nc1)OC ZINC000853200262 805999924 /nfs/dbraw/zinc/99/99/24/805999924.db2.gz IKVXQCKKMXCGPI-SNVBAGLBSA-N -1 0 318.351 -0.189 20 0 DBADRM CCc1ocnc1C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC ZINC000853202334 806001361 /nfs/dbraw/zinc/00/13/61/806001361.db2.gz DMRPJGFOTHVNDA-MRVPVSSYSA-N -1 0 306.340 -0.042 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CCn1cccn1)OC ZINC000853203592 806000730 /nfs/dbraw/zinc/00/07/30/806000730.db2.gz ZHAOAQQZDAMAKA-JTQLQIEISA-N -1 0 305.356 -0.619 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)OCC1CC1)OC ZINC000853204669 806000780 /nfs/dbraw/zinc/00/07/80/806000780.db2.gz RTRDHBBAYDQCRB-KOLCDFICSA-N -1 0 309.384 -0.091 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)C[C@H](COC)OC ZINC000853203764 806000843 /nfs/dbraw/zinc/00/08/43/806000843.db2.gz JILAQMJDURUHHO-VIFPVBQESA-N -1 0 310.372 -0.990 20 0 DBADRM CCn1cc(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)cn1 ZINC000853203427 806001056 /nfs/dbraw/zinc/00/10/56/806001056.db2.gz MYUONKLHPVILAY-SNVBAGLBSA-N -1 0 305.356 -0.376 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H](C)c1ccnn1C)OC ZINC000853208115 806002194 /nfs/dbraw/zinc/00/21/94/806002194.db2.gz BEXFWSZDVHERPM-NXEZZACHSA-N -1 0 319.383 -0.369 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C[C@H](C)n1ccnc1)OC ZINC000853208947 806002884 /nfs/dbraw/zinc/00/28/84/806002884.db2.gz JLYVMEORFGXVPA-QWRGUYRKSA-N -1 0 319.383 -0.058 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CCOC[C@H]1C)OC ZINC000853209238 806002929 /nfs/dbraw/zinc/00/29/29/806002929.db2.gz ZRYYXHNNLGTZKG-MXWKQRLJSA-N -1 0 309.384 -0.234 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)n1 ZINC000853210404 806004356 /nfs/dbraw/zinc/00/43/56/806004356.db2.gz WPQBIADUVXJWEM-MRVPVSSYSA-N -1 0 306.344 -0.981 20 0 DBADRM COC(=O)NC1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000853348148 806005319 /nfs/dbraw/zinc/00/53/19/806005319.db2.gz AZEIKNKPCYEVMH-QMMMGPOBSA-N -1 0 315.326 -0.830 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCc1nc(N)n[nH]1 ZINC000854518581 806040343 /nfs/dbraw/zinc/04/03/43/806040343.db2.gz PWHGUNPXEKRRQE-UHFFFAOYSA-N -1 0 308.264 -0.497 20 0 DBADRM CCn1ncn([N-]C(=O)c2cc(Cn3cccn3)on2)c1=O ZINC000854628420 806048082 /nfs/dbraw/zinc/04/80/82/806048082.db2.gz YDXJHCVKKWSWPH-UHFFFAOYSA-N -1 0 303.282 -0.319 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000854611430 806045452 /nfs/dbraw/zinc/04/54/52/806045452.db2.gz VYQYZJYCJYWGAO-MRVPVSSYSA-N -1 0 324.318 -0.279 20 0 DBADRM CN1CCN(c2cc(C(=O)Nn3c(=O)[n-][nH]c3=O)ccn2)CC1 ZINC000854611267 806045872 /nfs/dbraw/zinc/04/58/72/806045872.db2.gz WZBSOGCIJBNKQB-UHFFFAOYSA-N -1 0 319.325 -0.780 20 0 DBADRM CO[C@@](C)(C(=O)Nn1c(=O)[n-][nH]c1=O)C(=O)OC(C)(C)C ZINC000854613092 806046420 /nfs/dbraw/zinc/04/64/20/806046420.db2.gz TWTYVUYXRNHKOO-NSHDSACASA-N -1 0 302.287 -0.494 20 0 DBADRM CCn1ncn([N-]C(=O)c2c(Br)nnn2C)c1=O ZINC000854627142 806046794 /nfs/dbraw/zinc/04/67/94/806046794.db2.gz FUEVWCPIVJPYSR-UHFFFAOYSA-N -1 0 316.119 -0.660 20 0 DBADRM CC1=NO[C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000854785483 806060133 /nfs/dbraw/zinc/06/01/33/806060133.db2.gz LZAONLSJALFFCQ-MRVPVSSYSA-N -1 0 313.335 -0.066 20 0 DBADRM CCC[C@H](C(=O)[N-]OC(C)(C)C(=O)OCC)S(N)(=O)=O ZINC000855132935 806070197 /nfs/dbraw/zinc/07/01/97/806070197.db2.gz KQPHOLHLVDBLPS-MRVPVSSYSA-N -1 0 310.372 -0.167 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000855132296 806070542 /nfs/dbraw/zinc/07/05/42/806070542.db2.gz DGUWBKLOUOWCKW-UHFFFAOYSA-N -1 0 313.310 -0.913 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H](NS(C)(=O)=O)C(C)C ZINC000855133594 806070777 /nfs/dbraw/zinc/07/07/77/806070777.db2.gz JWOLENIYCGVNIU-SECBINFHSA-N -1 0 324.399 -0.050 20 0 DBADRM CCC[C@@H](C(=O)[N-]OC(C)(C)C(=O)OCC)S(N)(=O)=O ZINC000855132936 806070961 /nfs/dbraw/zinc/07/09/61/806070961.db2.gz KQPHOLHLVDBLPS-QMMMGPOBSA-N -1 0 310.372 -0.167 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCC[C@](O)(C2CC2)C1 ZINC000855694588 806086173 /nfs/dbraw/zinc/08/61/73/806086173.db2.gz PZCBNVBKNNNYBB-OAHLLOKOSA-N -1 0 317.349 -0.165 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@H](CO)CC1CC1 ZINC000855917078 806090614 /nfs/dbraw/zinc/09/06/14/806090614.db2.gz WKANZQFRTHJLKV-SNVBAGLBSA-N -1 0 305.338 -0.404 20 0 DBADRM O=C(CNC(=O)c1ccncc1)[N-]OCCN1CCCC1=O ZINC000856043634 806094258 /nfs/dbraw/zinc/09/42/58/806094258.db2.gz YOXYENPLJUGOME-UHFFFAOYSA-N -1 0 306.322 -0.518 20 0 DBADRM Cn1cnc2c1c(=O)n(CC(=O)[N-]OCC1CCC1)c(=O)n2C ZINC000856343792 806098981 /nfs/dbraw/zinc/09/89/81/806098981.db2.gz ZRRXGUKSLPGACG-UHFFFAOYSA-N -1 0 321.337 -0.718 20 0 DBADRM Cn1c2ncn(CC(=O)[N-]OCC3CCC3)c2c(=O)n(C)c1=O ZINC000856342218 806099191 /nfs/dbraw/zinc/09/91/91/806099191.db2.gz DXRCKLPJYKNIIM-UHFFFAOYSA-N -1 0 321.337 -0.718 20 0 DBADRM C[C@H](NC(=O)CC(N)=O)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001317199395 806104530 /nfs/dbraw/zinc/10/45/30/806104530.db2.gz FISDVOCNHKLRMR-IUCAKERBSA-N -1 0 310.358 -0.898 20 0 DBADRM CC(C)(CO)O[N-]C(=O)CSCC(=O)N1CCOCC1 ZINC000857284894 806114305 /nfs/dbraw/zinc/11/43/05/806114305.db2.gz KOTAPEPEGNDNFV-UHFFFAOYSA-N -1 0 306.384 -0.603 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000857097592 806108519 /nfs/dbraw/zinc/10/85/19/806108519.db2.gz BFCGKDIOVFHWIZ-VIFPVBQESA-N -1 0 319.321 -0.017 20 0 DBADRM C[C@H]1[C@@H](CO)CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000857290160 806115328 /nfs/dbraw/zinc/11/53/28/806115328.db2.gz WILNKONWTKOYEE-VHSXEESVSA-N -1 0 305.338 -0.309 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H]1CO ZINC000857364497 806117354 /nfs/dbraw/zinc/11/73/54/806117354.db2.gz JXVMYWNYCCFDHR-ZJUUUORDSA-N -1 0 305.338 -0.452 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1noc2c1COCC2 ZINC000857850566 806128173 /nfs/dbraw/zinc/12/81/73/806128173.db2.gz VPSWAJOLFFYOOQ-UHFFFAOYSA-N -1 0 318.307 -0.630 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1noc2c1COCC2 ZINC000857847227 806128358 /nfs/dbraw/zinc/12/83/58/806128358.db2.gz KYQVVDSDTBGSBW-SSDOTTSWSA-N -1 0 304.324 -0.158 20 0 DBADRM CN(CCNC(=O)c1ccnc2[nH]cnc21)Cc1n[nH]c(=O)[n-]1 ZINC001317446823 806150355 /nfs/dbraw/zinc/15/03/55/806150355.db2.gz MMFICDQQOHLTIM-UHFFFAOYSA-N -1 0 316.325 -0.357 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2COCCO2)on1 ZINC000858913715 806162370 /nfs/dbraw/zinc/16/23/70/806162370.db2.gz LOFWDXXBHVTJHK-SSDOTTSWSA-N -1 0 306.296 -0.845 20 0 DBADRM CCN(CC)C(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000858918037 806162445 /nfs/dbraw/zinc/16/24/45/806162445.db2.gz LVYNAXFYRLOQIN-UHFFFAOYSA-N -1 0 319.339 -0.392 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccn(C)n2)on1 ZINC000859088240 806172629 /nfs/dbraw/zinc/17/26/29/806172629.db2.gz HTHQQKJDPUOIDO-UHFFFAOYSA-N -1 0 300.296 -0.327 20 0 DBADRM O=C(Cn1ccc(C(F)F)n1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000859279070 806182066 /nfs/dbraw/zinc/18/20/66/806182066.db2.gz XYXDHLLSRQNNTF-QMMMGPOBSA-N -1 0 313.268 -0.066 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H]2CCOC2=O)cn1 ZINC000859921949 806210954 /nfs/dbraw/zinc/21/09/54/806210954.db2.gz MOXRGJQXVFKWCE-MRVPVSSYSA-N -1 0 300.292 -0.075 20 0 DBADRM CCNC(=O)COC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859921688 806210992 /nfs/dbraw/zinc/21/09/92/806210992.db2.gz APYABFFDUMRUJW-UHFFFAOYSA-N -1 0 301.324 -0.254 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)Cc1ccc(C(N)=O)nc1 ZINC000860537004 806235513 /nfs/dbraw/zinc/23/55/13/806235513.db2.gz DWQGSKUPBZKIAW-UHFFFAOYSA-N -1 0 315.351 -0.795 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2)O1 ZINC000860451246 806231413 /nfs/dbraw/zinc/23/14/13/806231413.db2.gz UNBFJAJMCCNOAX-WDEREUQCSA-N -1 0 312.347 -0.335 20 0 DBADRM COC1CC(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC000860449376 806232027 /nfs/dbraw/zinc/23/20/27/806232027.db2.gz GWHGTGAOCAOGDR-UHFFFAOYSA-N -1 0 315.351 -0.646 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]1(C)Br ZINC000860538176 806235541 /nfs/dbraw/zinc/23/55/41/806235541.db2.gz ZFUVRYDEDNRRDM-YLWLKBPMSA-N -1 0 314.157 -0.221 20 0 DBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)CC2CC2)c1 ZINC000860543527 806235100 /nfs/dbraw/zinc/23/51/00/806235100.db2.gz WAXKBLJFPWYQHI-UHFFFAOYSA-N -1 0 301.324 -0.474 20 0 DBADRM O=C([N-]S(=O)(=O)CC1CC1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860543471 806235280 /nfs/dbraw/zinc/23/52/80/806235280.db2.gz UCMPDAALHRGHQT-ORXSELOVSA-N -1 0 315.347 -0.437 20 0 DBADRM COc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1COC(=O)N1 ZINC000860566503 806236337 /nfs/dbraw/zinc/23/63/37/806236337.db2.gz FXTLABJQYBIOOG-ZETCQYMHSA-N -1 0 300.292 -0.392 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000860558555 806236764 /nfs/dbraw/zinc/23/67/64/806236764.db2.gz WEIZCQMIYWWRHS-VIFPVBQESA-N -1 0 312.413 -0.486 20 0 DBADRM Cn1cc(Cl)c(C(=O)[N-]S(=O)(=O)N2CCOCC2)n1 ZINC000860569935 806236774 /nfs/dbraw/zinc/23/67/74/806236774.db2.gz RNSXQCBYAMPDLH-UHFFFAOYSA-N -1 0 308.747 -0.620 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cn1nccc1C ZINC000860550130 806236861 /nfs/dbraw/zinc/23/68/61/806236861.db2.gz PFEKPWQFTGXPIA-UHFFFAOYSA-N -1 0 303.340 -0.409 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1ccnn1C)C(C)C ZINC000860660837 806241695 /nfs/dbraw/zinc/24/16/95/806241695.db2.gz PEHOYMOUSSZJHJ-SNVBAGLBSA-N -1 0 302.356 -0.614 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnn(C2CC2)c1 ZINC000860597888 806237422 /nfs/dbraw/zinc/23/74/22/806237422.db2.gz ILCIYPMUPVMBGB-UHFFFAOYSA-N -1 0 302.356 -0.229 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCOC(N)=O)cn1 ZINC000860579928 806237452 /nfs/dbraw/zinc/23/74/52/806237452.db2.gz RXDKQJUHOWSLHQ-UHFFFAOYSA-N -1 0 302.312 -0.308 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnccn1)c1cn2c(n1)COCC2 ZINC000860601005 806237591 /nfs/dbraw/zinc/23/75/91/806237591.db2.gz MDKIMFQNLIKHQL-UHFFFAOYSA-N -1 0 309.307 -0.678 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000860602286 806237841 /nfs/dbraw/zinc/23/78/41/806237841.db2.gz YHYSOEHXWATFLL-SNVBAGLBSA-N -1 0 314.367 -0.168 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000860598340 806238267 /nfs/dbraw/zinc/23/82/67/806238267.db2.gz MNSTVCGMGYDBPF-ZNSHCXBVSA-N -1 0 308.400 -0.015 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C(C)C)cn1 ZINC000860590066 806238272 /nfs/dbraw/zinc/23/82/72/806238272.db2.gz ULLMJURMTVIHGF-LLVKDONJSA-N -1 0 316.383 -0.131 20 0 DBADRM NC(=O)c1ccc(CC(=O)[N-]S(=O)(=O)CC2CCC2)cn1 ZINC000860625788 806239270 /nfs/dbraw/zinc/23/92/70/806239270.db2.gz SZICFNNGKIKQOD-UHFFFAOYSA-N -1 0 311.363 -0.031 20 0 DBADRM CCOc1cccc(CCC(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000860647982 806240493 /nfs/dbraw/zinc/24/04/93/806240493.db2.gz FLVGXNXXEXBNFH-UHFFFAOYSA-N -1 0 314.363 -0.051 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccnc2ccnn21 ZINC000860650707 806240768 /nfs/dbraw/zinc/24/07/68/806240768.db2.gz UYOBLPRQFUGVIZ-ZETCQYMHSA-N -1 0 312.307 -0.650 20 0 DBADRM CN1C[C@@H](OC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1=O ZINC000860633423 806240788 /nfs/dbraw/zinc/24/07/88/806240788.db2.gz PUCZZXAEBVTGDA-VIFPVBQESA-N -1 0 313.335 -0.159 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccnn1 ZINC000860665229 806241327 /nfs/dbraw/zinc/24/13/27/806241327.db2.gz IEJRODXCWORQLF-HTQZYQBOSA-N -1 0 301.324 -0.266 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1ccc(F)cn1 ZINC000860815538 806247612 /nfs/dbraw/zinc/24/76/12/806247612.db2.gz OVRUJDGJUGLRFR-JTQLQIEISA-N -1 0 303.315 -0.204 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnn(CC(F)F)c1)[C@@H]1COC(=O)N1 ZINC000860681026 806242619 /nfs/dbraw/zinc/24/26/19/806242619.db2.gz KREQOUCYFHVCOB-LURJTMIESA-N -1 0 324.265 -0.939 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ncccc2F)O1 ZINC000860698597 806242872 /nfs/dbraw/zinc/24/28/72/806242872.db2.gz YFBQUFSCKFAACB-JGVFFNPUSA-N -1 0 317.298 -0.942 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C ZINC000860737343 806245409 /nfs/dbraw/zinc/24/54/09/806245409.db2.gz ZPNQWCZSZNINLC-ZETCQYMHSA-N -1 0 304.328 -0.859 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)c1nnn[n-]1 ZINC000860785911 806246290 /nfs/dbraw/zinc/24/62/90/806246290.db2.gz NDELLGOJKKNZGS-NFMCEHEJSA-N -1 0 321.337 -0.518 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2cn(C3CC3)nn2)cnn1C ZINC000860783877 806246543 /nfs/dbraw/zinc/24/65/43/806246543.db2.gz RNDWMTGTQOEVEA-UHFFFAOYSA-N -1 0 310.339 -0.226 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)Cn1nccc1C)OC ZINC000860892552 806250950 /nfs/dbraw/zinc/25/09/50/806250950.db2.gz UOUMDUXWRYCCBS-JTQLQIEISA-N -1 0 305.356 -0.701 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C(C)C)OC ZINC000860890275 806251488 /nfs/dbraw/zinc/25/14/88/806251488.db2.gz BTOXMSQOPPRZEN-WDEREUQCSA-N -1 0 324.399 -0.746 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000861139030 806257304 /nfs/dbraw/zinc/25/73/04/806257304.db2.gz NNNJWGIUBPAOFP-DTWKUNHWSA-N -1 0 304.368 -0.379 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)C1=O ZINC000861139406 806257325 /nfs/dbraw/zinc/25/73/25/806257325.db2.gz HEPZYYISBZTNSC-RKDXNWHRSA-N -1 0 304.368 -0.522 20 0 DBADRM CCOCCO[C@H](C)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001318133840 806265345 /nfs/dbraw/zinc/26/53/45/806265345.db2.gz VOXOEYKNYOXFAC-SSDOTTSWSA-N -1 0 306.344 -0.412 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000861720785 806283015 /nfs/dbraw/zinc/28/30/15/806283015.db2.gz HJLOHMGWWQPCCJ-CYBMUJFWSA-N -1 0 309.326 -0.763 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000861720786 806283276 /nfs/dbraw/zinc/28/32/76/806283276.db2.gz HJLOHMGWWQPCCJ-ZDUSSCGKSA-N -1 0 309.326 -0.763 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc2c1OCC2 ZINC000861899886 806301513 /nfs/dbraw/zinc/30/15/13/806301513.db2.gz RXFGMDCMUOGVIA-UHFFFAOYSA-N -1 0 307.306 -0.256 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cc(S(C)(=O)=O)oc1C ZINC000862130917 806313112 /nfs/dbraw/zinc/31/31/12/806313112.db2.gz UNLFBDMSJBWDIH-UHFFFAOYSA-N -1 0 304.324 -0.211 20 0 DBADRM CS(=O)(=O)c1nc(C(=O)[N-]N2CCOC2=O)c2ccccn21 ZINC000862699026 806331185 /nfs/dbraw/zinc/33/11/85/806331185.db2.gz LJXUWIQPYIYAMM-UHFFFAOYSA-N -1 0 324.318 -0.165 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)NCCCc1n[nH]c(=O)[n-]1 ZINC001318923933 806333796 /nfs/dbraw/zinc/33/37/96/806333796.db2.gz RCMFPQHDQSRNCF-UHFFFAOYSA-N -1 0 311.342 -0.802 20 0 DBADRM CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC001319089644 806344165 /nfs/dbraw/zinc/34/41/65/806344165.db2.gz IIUSNCRRDJKUMG-UHFFFAOYSA-N -1 0 314.367 -0.022 20 0 DBADRM CC(=O)C[C@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000863410371 806355906 /nfs/dbraw/zinc/35/59/06/806355906.db2.gz BTVDRLILSXLQLI-VIFPVBQESA-N -1 0 303.340 -0.252 20 0 DBADRM CC(=O)C[C@@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC000863408969 806355953 /nfs/dbraw/zinc/35/59/53/806355953.db2.gz VUWQHKHZCMDPFQ-SECBINFHSA-N -1 0 308.356 -0.636 20 0 DBADRM Cn1cc(S(=O)(=O)NN=c2[n-]ncc(N)c2Cl)cn1 ZINC001319187018 806351624 /nfs/dbraw/zinc/35/16/24/806351624.db2.gz CSZDPRNLTNILER-UHFFFAOYSA-N -1 0 303.735 -0.249 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1)C1CC1 ZINC000863409965 806356408 /nfs/dbraw/zinc/35/64/08/806356408.db2.gz QKSLAXSNXOIUHH-CMPLNLGQSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C(CNC(=O)c1cc(=O)[nH][n-]1)Nc1ccc2c(c1)OCCO2 ZINC000863496354 806360101 /nfs/dbraw/zinc/36/01/01/806360101.db2.gz WWSSHMKOTDLXJZ-UHFFFAOYSA-N -1 0 318.289 -0.612 20 0 DBADRM CC(C)OC[C@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000863416239 806356594 /nfs/dbraw/zinc/35/65/94/806356594.db2.gz FYBWCMKCQMGYTQ-IUCAKERBSA-N -1 0 310.372 -0.739 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)C1 ZINC000863748377 806370578 /nfs/dbraw/zinc/37/05/78/806370578.db2.gz XKHAPKSLKVMIBS-GWOFURMSSA-N -1 0 324.333 -0.813 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)CC[C@@H]1C(=O)[O-] ZINC000863747777 806370940 /nfs/dbraw/zinc/37/09/40/806370940.db2.gz RVNLFYDMMPSGRP-ZRUFSTJUSA-N -1 0 324.333 -0.813 20 0 DBADRM CN(CC(=O)[N-]OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC001319433951 806378024 /nfs/dbraw/zinc/37/80/24/806378024.db2.gz RCQJAMWLVXQOAR-ZETCQYMHSA-N -1 0 304.290 -0.285 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000863926304 806380076 /nfs/dbraw/zinc/38/00/76/806380076.db2.gz UIBOFCIBLSNBES-UHFFFAOYSA-N -1 0 318.293 -0.169 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000863917792 806380691 /nfs/dbraw/zinc/38/06/91/806380691.db2.gz VFQMAIOEEBRYCO-GCDPNZCJSA-N -1 0 313.306 -0.292 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000864166296 806391229 /nfs/dbraw/zinc/39/12/29/806391229.db2.gz WEYHGCLNJHUVJD-JTQLQIEISA-N -1 0 320.367 -0.768 20 0 DBADRM O=C([O-])COCCNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000864139558 806391251 /nfs/dbraw/zinc/39/12/51/806391251.db2.gz LIDDZTWEBMYFLS-SFYZADRCSA-N -1 0 301.217 -0.450 20 0 DBADRM CN1N=C(C(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])CCC1=O ZINC000864173719 806391261 /nfs/dbraw/zinc/39/12/61/806391261.db2.gz DAPCHODRMLYKNL-KOLCDFICSA-N -1 0 311.338 -0.019 20 0 DBADRM O=C([O-])COCCNC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000864171791 806391314 /nfs/dbraw/zinc/39/13/14/806391314.db2.gz HCKPAVGREKRKTH-UHFFFAOYSA-N -1 0 313.310 -0.932 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CSCN2C(C)=O)C1 ZINC000864170560 806391374 /nfs/dbraw/zinc/39/13/74/806391374.db2.gz PHIKZCFILREYOL-CABZTGNLSA-N -1 0 302.352 -0.390 20 0 DBADRM COCC[C@@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-] ZINC000864138789 806391417 /nfs/dbraw/zinc/39/14/17/806391417.db2.gz QSYOIQJRGLYRRB-PRJMDXOYSA-N -1 0 315.244 -0.061 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1 ZINC000864167478 806391490 /nfs/dbraw/zinc/39/14/90/806391490.db2.gz HBWYEJRIGRJSIG-QWRGUYRKSA-N -1 0 316.379 -0.052 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)Cn3ccccc3=O)C[C@H]1COCC2 ZINC000864136824 806391530 /nfs/dbraw/zinc/39/15/30/806391530.db2.gz CKAMWKBCFJKHCD-XHDPSFHLSA-N -1 0 306.318 -0.202 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-] ZINC000864140805 806391553 /nfs/dbraw/zinc/39/15/53/806391553.db2.gz RKWOEWZAYSUECN-XVMARJQXSA-N -1 0 301.217 -0.452 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000864147392 806391643 /nfs/dbraw/zinc/39/16/43/806391643.db2.gz LQXQABXKJKBTKY-GARJFASQSA-N -1 0 318.395 -0.020 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000864190070 806391800 /nfs/dbraw/zinc/39/18/00/806391800.db2.gz XLHUKPWFHMGTGF-UQRGBAIESA-N -1 0 321.333 -0.533 20 0 DBADRM Cc1cnc2nc(C(=O)NC[C@@H]3CCO[C@@H]3C(=O)[O-])nn2c1 ZINC000864215880 806391816 /nfs/dbraw/zinc/39/18/16/806391816.db2.gz YKVOLNXMQFTYOT-IUCAKERBSA-N -1 0 305.294 -0.348 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC1CC(C(=O)[O-])C1 ZINC000864204868 806391972 /nfs/dbraw/zinc/39/19/72/806391972.db2.gz AOTRYIKRGGHXEZ-UHFFFAOYSA-N -1 0 322.383 -0.690 20 0 DBADRM COCCn1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cn1 ZINC000864188429 806392001 /nfs/dbraw/zinc/39/20/01/806392001.db2.gz ISCURGPHDNNCBY-IUCAKERBSA-N -1 0 312.326 -0.763 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000864213116 806392264 /nfs/dbraw/zinc/39/22/64/806392264.db2.gz DUNMBDWAVQPFCI-NGZCFLSTSA-N -1 0 316.379 -0.096 20 0 DBADRM CN1C(=O)C[C@@H](N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1=O ZINC000864350586 806393476 /nfs/dbraw/zinc/39/34/76/806393476.db2.gz GRXDMLGIEUUEDI-HQJQHLMTSA-N -1 0 307.272 -0.113 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1=O ZINC000864496956 806395913 /nfs/dbraw/zinc/39/59/13/806395913.db2.gz WRJMSPQZGSQIRJ-BXKDBHETSA-N -1 0 304.368 -0.266 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c1[O-] ZINC001319631252 806399001 /nfs/dbraw/zinc/39/90/01/806399001.db2.gz WSRAMEYNWWZCRC-UHFFFAOYSA-N -1 0 307.310 -0.420 20 0 DBADRM CN(C(=O)CCc1nnn[n-]1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000865753194 806422325 /nfs/dbraw/zinc/42/23/25/806422325.db2.gz HKNDQPKYZMBXJM-ZETCQYMHSA-N -1 0 320.275 -0.246 20 0 DBADRM O=C(/C=C/CN1CCOCC1)NC1(c2nnn[n-]2)CCCC1 ZINC000865935378 806428097 /nfs/dbraw/zinc/42/80/97/806428097.db2.gz LAPQMLGDVGALAC-ONEGZZNKSA-N -1 0 306.370 -0.026 20 0 DBADRM O=C(/C=C\CN1CCOCC1)NC1(c2nnn[n-]2)CCCC1 ZINC000865935377 806428930 /nfs/dbraw/zinc/42/89/30/806428930.db2.gz LAPQMLGDVGALAC-ARJAWSKDSA-N -1 0 306.370 -0.026 20 0 DBADRM O=C(c1ccc2nc[nH]c2n1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001320113976 806441269 /nfs/dbraw/zinc/44/12/69/806441269.db2.gz RQXRAMVQSIJEDT-VIFPVBQESA-N -1 0 300.282 -0.315 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]CCOCCOC ZINC000866597952 806445945 /nfs/dbraw/zinc/44/59/45/806445945.db2.gz KOMHYTIBCCWDBW-UHFFFAOYSA-N -1 0 302.418 -0.008 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H](C)[C@@H]1CN(C)CCO1 ZINC000866988932 806467098 /nfs/dbraw/zinc/46/70/98/806467098.db2.gz TUIRMKTWGJHNMC-JJQCHNSYSA-N -1 0 313.445 -0.342 20 0 DBADRM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)[C@@H]1OC ZINC000867106292 806471389 /nfs/dbraw/zinc/47/13/89/806471389.db2.gz ABEZDMPZJKQBSC-HLTSFMKQSA-N -1 0 300.402 -0.259 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)[C@H]1CCCO1 ZINC000867206902 806479767 /nfs/dbraw/zinc/47/97/67/806479767.db2.gz ODQLZAWKDVDUGP-DTWKUNHWSA-N -1 0 300.402 -0.258 20 0 DBADRM CCN1CC[C@H]([N-]S(=O)(=O)N=S(=O)(CC)CC)C1=O ZINC000867241017 806483408 /nfs/dbraw/zinc/48/34/08/806483408.db2.gz PKDUHJYLYTVNHW-VIFPVBQESA-N -1 0 311.429 -0.051 20 0 DBADRM COCC(COC)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000867354614 806493163 /nfs/dbraw/zinc/49/31/63/806493163.db2.gz HBSJTKXSGOHHDX-UHFFFAOYSA-N -1 0 300.402 -0.256 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H](OC)[C@@H]1CCOC1 ZINC000867498026 806503133 /nfs/dbraw/zinc/50/31/33/806503133.db2.gz UTRLNVUNCMEKDI-JJQCHNSYSA-N -1 0 314.429 -0.010 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC001320603112 806508234 /nfs/dbraw/zinc/50/82/34/806508234.db2.gz GERNCNJMPBFFLB-UHFFFAOYSA-N -1 0 320.305 -0.950 20 0 DBADRM COCCOc1cccc(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC001320619976 806510097 /nfs/dbraw/zinc/51/00/97/806510097.db2.gz SLEIEHINBUJTIE-UHFFFAOYSA-N -1 0 311.294 -0.817 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC001320616250 806510343 /nfs/dbraw/zinc/51/03/43/806510343.db2.gz YIAWNPVDPWPVNY-UHFFFAOYSA-N -1 0 305.287 -0.521 20 0 DBADRM COCC[C@@H](NC(=O)CSc1n[n-]c(=S)s1)C(N)=O ZINC001320639337 806512511 /nfs/dbraw/zinc/51/25/11/806512511.db2.gz WYQZNRBNCLKLAK-RXMQYKEDSA-N -1 0 322.437 -0.075 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC001320740250 806524001 /nfs/dbraw/zinc/52/40/01/806524001.db2.gz TUJZZRLSTKQXDA-UHFFFAOYSA-N -1 0 320.305 -0.567 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)CCO1 ZINC000868341514 806544465 /nfs/dbraw/zinc/54/44/65/806544465.db2.gz SJAIMBRJTCDHKA-GRYCIOLGSA-N -1 0 308.334 -0.277 20 0 DBADRM CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000868337662 806544589 /nfs/dbraw/zinc/54/45/89/806544589.db2.gz HFFYCGCUYWVUCT-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N3CCC3)C2)cn1 ZINC000868331025 806542999 /nfs/dbraw/zinc/54/29/99/806542999.db2.gz QVGLFAVSNOXREC-GHMZBOCLSA-N -1 0 320.349 -0.331 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CCOC3)C2)C1 ZINC000868336962 806544324 /nfs/dbraw/zinc/54/43/24/806544324.db2.gz JIUNGRYHBKCSBU-IAQYHMDHSA-N -1 0 310.350 -0.051 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](CCCO)C2)C1 ZINC000868340795 806544667 /nfs/dbraw/zinc/54/46/67/806544667.db2.gz HXMMUQGLKHUSTH-NWDGAFQWSA-N -1 0 312.366 -0.069 20 0 DBADRM Cn1cc(-c2n[nH]cc2C(=O)NCCc2nc(=O)o[n-]2)cn1 ZINC001321007318 806554642 /nfs/dbraw/zinc/55/46/42/806554642.db2.gz OWJKDLUELTZFRB-UHFFFAOYSA-N -1 0 303.282 -0.541 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC001321003762 806554785 /nfs/dbraw/zinc/55/47/85/806554785.db2.gz ARHXVZLHJOMEMN-UHFFFAOYSA-N -1 0 311.294 -0.817 20 0 DBADRM O=C(CSCC(=O)N1CCOCC1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000868442379 806555902 /nfs/dbraw/zinc/55/59/02/806555902.db2.gz NAICUTWBYRJCFV-AOOOYVTPSA-N -1 0 316.379 -0.442 20 0 DBADRM O=C(c1cnn2ccncc12)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001321079665 806568533 /nfs/dbraw/zinc/56/85/33/806568533.db2.gz KOGZZLAJXUZRKM-JTQLQIEISA-N -1 0 300.282 -0.544 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)C(=O)[N-]OCCOC ZINC001321131627 806577479 /nfs/dbraw/zinc/57/74/79/806577479.db2.gz TWUTWMXLWYFXQW-UHFFFAOYSA-N -1 0 309.322 -0.392 20 0 DBADRM O=C(CN1CCCCC(=O)C1=O)[N-]OCCN1CCCC1=O ZINC000869282362 806578643 /nfs/dbraw/zinc/57/86/43/806578643.db2.gz IXCOHZREZPVMKA-UHFFFAOYSA-N -1 0 311.338 -0.762 20 0 DBADRM COc1ccc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cn1 ZINC001321142604 806579123 /nfs/dbraw/zinc/57/91/23/806579123.db2.gz BLCAIJQCIBMTRK-IHWYPQMZSA-N -1 0 318.337 -0.010 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC001321144878 806579914 /nfs/dbraw/zinc/57/99/14/806579914.db2.gz KGVFKEDXXYOFRF-SNVBAGLBSA-N -1 0 322.383 -0.400 20 0 DBADRM C[C@]1(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)CCC(=O)NC1 ZINC001321221052 806588991 /nfs/dbraw/zinc/58/89/91/806588991.db2.gz DQMNFVVHBKBANB-HSWBROFVSA-N -1 0 322.369 -0.811 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H](OCC)[C@@H]1CCOC1 ZINC000870199343 806597469 /nfs/dbraw/zinc/59/74/69/806597469.db2.gz LEDVYLAYKJVNIV-GHMZBOCLSA-N -1 0 309.384 -0.090 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)Cc1cnn2c1CCCC2 ZINC000870200646 806597591 /nfs/dbraw/zinc/59/75/91/806597591.db2.gz YDRQIIUWKDSOMS-UHFFFAOYSA-N -1 0 301.368 -0.146 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cn1 ZINC000870256874 806598510 /nfs/dbraw/zinc/59/85/10/806598510.db2.gz AKOWFZYALXVEHH-SNVBAGLBSA-N -1 0 317.367 -0.374 20 0 DBADRM CN(C)Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cnn(C)n1 ZINC000870644345 806604844 /nfs/dbraw/zinc/60/48/44/806604844.db2.gz ILBDNCWFENDLJO-UHFFFAOYSA-N -1 0 323.378 -0.005 20 0 DBADRM COc1ncc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cn1 ZINC001321321823 806606393 /nfs/dbraw/zinc/60/63/93/806606393.db2.gz IDTSSJCEUNJPJQ-NSCUHMNNSA-N -1 0 319.325 -0.615 20 0 DBADRM COc1ncc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cn1 ZINC001321321822 806606786 /nfs/dbraw/zinc/60/67/86/806606786.db2.gz IDTSSJCEUNJPJQ-IHWYPQMZSA-N -1 0 319.325 -0.615 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001321362717 806613576 /nfs/dbraw/zinc/61/35/76/806613576.db2.gz DXHDETVGDGKQDZ-VMZHVLLKSA-N -1 0 322.369 -0.717 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001321378743 806617067 /nfs/dbraw/zinc/61/70/67/806617067.db2.gz ZDOOQEIAGJWVRR-UHFFFAOYSA-N -1 0 302.327 -0.329 20 0 DBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)NCCc1nc(=O)o[n-]1 ZINC001321425207 806623886 /nfs/dbraw/zinc/62/38/86/806623886.db2.gz AKRHLVNSWSBROK-UHFFFAOYSA-N -1 0 317.309 -0.437 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cnn3ccncc23)cn1 ZINC001321450178 806627171 /nfs/dbraw/zinc/62/71/71/806627171.db2.gz YPFPEIPZHKGYQS-UHFFFAOYSA-N -1 0 306.307 -0.419 20 0 DBADRM CCOC(=O)c1[n-]n([C@H]2CCCS(=O)(=O)C2)c(=O)c1C ZINC000871962508 806645170 /nfs/dbraw/zinc/64/51/70/806645170.db2.gz DBSLCFAHIOPKGQ-BDAKNGLRSA-N -1 0 302.352 -0.039 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)Cc2ccc(F)cc2F)C1 ZINC000871997514 806645975 /nfs/dbraw/zinc/64/59/75/806645975.db2.gz TZYVBPSXMSNQAN-UHFFFAOYSA-N -1 0 307.274 -0.074 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C(F)F)C2)C1 ZINC000872183777 806647220 /nfs/dbraw/zinc/64/72/20/806647220.db2.gz KAMXZBBTJQRWHF-HTQZYQBOSA-N -1 0 306.265 -0.588 20 0 DBADRM CCOC(=O)c1[n-]n(C2CCS(=O)(=O)CC2)c(=O)c1C ZINC000871957859 806644668 /nfs/dbraw/zinc/64/46/68/806644668.db2.gz OFMATHIPDTTYIW-QMMMGPOBSA-N -1 0 302.352 -0.039 20 0 DBADRM CN1CC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C1=O ZINC000872451893 806657648 /nfs/dbraw/zinc/65/76/48/806657648.db2.gz RPWRXOTZLZUXLD-CVJBHZAOSA-N -1 0 311.429 -0.052 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC001321690065 806658315 /nfs/dbraw/zinc/65/83/15/806658315.db2.gz TVDCVBIZPRDRBT-SECBINFHSA-N -1 0 323.305 -0.674 20 0 DBADRM O=C1CN(S(=O)(=O)c2cc([O-])cc(F)c2)C2(COC2)CN1 ZINC000872685822 806669140 /nfs/dbraw/zinc/66/91/40/806669140.db2.gz HKSAFTAGZCVXCW-UHFFFAOYSA-N -1 0 316.310 -0.579 20 0 DBADRM NC(=O)[C@]1(O)CCN(C(=O)CSc2n[n-]c(=S)s2)C1 ZINC001321887437 806684402 /nfs/dbraw/zinc/68/44/02/806684402.db2.gz FJKCROMHDLXLRJ-VIFPVBQESA-N -1 0 320.421 -0.632 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC000873503900 806686194 /nfs/dbraw/zinc/68/61/94/806686194.db2.gz OCXJDOQHXKHLJB-WDSKDSINSA-N -1 0 302.274 -0.233 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1nnc2n1CCCCC2 ZINC001321915101 806687316 /nfs/dbraw/zinc/68/73/16/806687316.db2.gz HBEATNAYZOQMAV-UHFFFAOYSA-N -1 0 311.342 -0.685 20 0 DBADRM CN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001321929778 806688652 /nfs/dbraw/zinc/68/86/52/806688652.db2.gz VRHUPNOCVCIOOS-IUCAKERBSA-N -1 0 317.367 -0.916 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCCCn1ccnc1 ZINC001321967839 806693891 /nfs/dbraw/zinc/69/38/91/806693891.db2.gz RDCQXWKKCASBAI-LBPRGKRZSA-N -1 0 310.354 -0.136 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001321982601 806696969 /nfs/dbraw/zinc/69/69/69/806696969.db2.gz AMVKDZAAVPUAMB-WDEREUQCSA-N -1 0 315.370 -0.508 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)NCCOC[C@@H]1CCCO1 ZINC001322149731 806714876 /nfs/dbraw/zinc/71/48/76/806714876.db2.gz NLWYJSXTXVTYEX-LBPRGKRZSA-N -1 0 316.354 -0.475 20 0 DBADRM O=Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cs1 ZINC000874965778 806723909 /nfs/dbraw/zinc/72/39/09/806723909.db2.gz PTBBEPHRFIZEJN-VIFPVBQESA-N -1 0 317.344 -0.116 20 0 DBADRM COc1cc(C=O)ccc1OCC(=O)NC[C@](C)(O)C(=O)[O-] ZINC000874966539 806724181 /nfs/dbraw/zinc/72/41/81/806724181.db2.gz VKGUSYLIVLKANX-AWEZNQCLSA-N -1 0 311.290 -0.162 20 0 DBADRM CC(=O)NCCN(C(=O)c1cc(C=O)cn1C)[C@@H](C)C(=O)[O-] ZINC000874964162 806724371 /nfs/dbraw/zinc/72/43/71/806724371.db2.gz IIFBEWWNFLEGKX-VIFPVBQESA-N -1 0 309.322 -0.111 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000875496718 806751543 /nfs/dbraw/zinc/75/15/43/806751543.db2.gz USYZHGWCYVBBST-ZDUSSCGKSA-N -1 0 308.334 -0.062 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC001322813976 806785030 /nfs/dbraw/zinc/78/50/30/806785030.db2.gz LHGOTWLOPWRIJP-SECBINFHSA-N -1 0 303.384 -0.477 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1)C(F)(F)F ZINC001322826945 806787296 /nfs/dbraw/zinc/78/72/96/806787296.db2.gz FQISSSVRWSWOLO-SFYZADRCSA-N -1 0 314.260 -0.236 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)c2cnn3ccncc23)n[n-]1 ZINC001322858248 806791713 /nfs/dbraw/zinc/79/17/13/806791713.db2.gz NCBKDHYEXWTRAA-UHFFFAOYSA-N -1 0 307.295 -0.497 20 0 DBADRM Cn1ccnc1[C@@](O)(CC(=O)[N-]OCC(N)=O)C(F)(F)F ZINC001323392344 806867475 /nfs/dbraw/zinc/86/74/75/806867475.db2.gz METFMMICCBNHLE-VIFPVBQESA-N -1 0 310.232 -0.907 20 0 DBADRM NC(=O)CO[N-]C(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC001323392690 806867570 /nfs/dbraw/zinc/86/75/70/806867570.db2.gz PGIQESAXGHWGLB-UHFFFAOYSA-N -1 0 306.253 -0.482 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCOC(F)(F)F ZINC001323545680 806886603 /nfs/dbraw/zinc/88/66/03/806886603.db2.gz PAQFESDEMYIHMN-SSDOTTSWSA-N -1 0 300.233 -0.277 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCC(=O)N1CCCCC1 ZINC001323562047 806887797 /nfs/dbraw/zinc/88/77/97/806887797.db2.gz PRADRCDNTVREMF-UHFFFAOYSA-N -1 0 317.411 -0.084 20 0 DBADRM CCn1nc(C)c(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c1C ZINC001323591215 806893068 /nfs/dbraw/zinc/89/30/68/806893068.db2.gz DDPGADHRKGLGCI-UHFFFAOYSA-N -1 0 307.314 -0.402 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1COc2cc(OC)ccc2C1 ZINC001323663816 806901194 /nfs/dbraw/zinc/90/11/94/806901194.db2.gz HJCSNYLOBBBLOE-LLVKDONJSA-N -1 0 324.333 -0.191 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1COc2cc(OC)ccc2C1 ZINC001323663818 806901442 /nfs/dbraw/zinc/90/14/42/806901442.db2.gz HJCSNYLOBBBLOE-NSHDSACASA-N -1 0 324.333 -0.191 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC001323705322 806906303 /nfs/dbraw/zinc/90/63/03/806906303.db2.gz YFWDTRHQWLOVIJ-GRYCIOLGSA-N -1 0 300.355 -0.262 20 0 DBADRM CC(C)C(=O)NCCCNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001323730244 806908672 /nfs/dbraw/zinc/90/86/72/806908672.db2.gz JNWCIJXWUFDNTC-NSHDSACASA-N -1 0 315.370 -0.651 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC001323761635 806911882 /nfs/dbraw/zinc/91/18/82/806911882.db2.gz QWUUPLWSBQYWNX-GMTAPVOTSA-N -1 0 304.343 -0.621 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC000880387490 806923029 /nfs/dbraw/zinc/92/30/29/806923029.db2.gz ARNGAODZIHJBGG-ZETCQYMHSA-N -1 0 300.340 -0.367 20 0 DBADRM C[S@](=O)C1(CNC(=O)C(=O)[N-]OC2CCOCC2)CCC1 ZINC001323901700 806926636 /nfs/dbraw/zinc/92/66/36/806926636.db2.gz JRIVWPMBAQEYFH-NRFANRHFSA-N -1 0 318.395 -0.369 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)C(=O)[N-]OCCC2CC2)cc1C ZINC001324255320 806956572 /nfs/dbraw/zinc/95/65/72/806956572.db2.gz BYXPNFPGEGJOFK-UHFFFAOYSA-N -1 0 323.353 -0.276 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC1(C)OCCO1 ZINC000882034502 806962896 /nfs/dbraw/zinc/96/28/96/806962896.db2.gz TXQKXFOTYXJYIA-KRWDZBQOSA-N -1 0 301.390 -0.842 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC1OCCCO1 ZINC000882111834 806967145 /nfs/dbraw/zinc/96/71/45/806967145.db2.gz HWDNDOFLEKVBLB-KRWDZBQOSA-N -1 0 301.390 -0.842 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCC1(S(C)(=O)=O)CC1 ZINC001324365209 806967536 /nfs/dbraw/zinc/96/75/36/806967536.db2.gz JABFROSKZLCOEN-UHFFFAOYSA-N -1 0 310.397 -0.909 20 0 DBADRM CN1c2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc2CCC1=O ZINC001324382749 806969011 /nfs/dbraw/zinc/96/90/11/806969011.db2.gz LXNIIFXYZCLUGP-UHFFFAOYSA-N -1 0 320.305 -0.933 20 0 DBADRM COC(=O)c1csc(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC001324383543 806969807 /nfs/dbraw/zinc/96/98/07/806969807.db2.gz WIPCZPXHLWGYCN-UHFFFAOYSA-N -1 0 301.280 -0.994 20 0 DBADRM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000882241417 806973736 /nfs/dbraw/zinc/97/37/36/806973736.db2.gz KSJDLNYAQHYSGU-CXNNERTKSA-N -1 0 315.417 -0.801 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1cccc(N2C(=O)CCC2=O)c1 ZINC001324751458 807003347 /nfs/dbraw/zinc/00/33/47/807003347.db2.gz MSMSIZFYFOXZFO-UHFFFAOYSA-N -1 0 316.273 -0.054 20 0 DBADRM Cc1n[nH]cc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035468190 814948597 /nfs/dbraw/zinc/94/85/97/814948597.db2.gz DQNTUNCDFVYVKJ-VIFPVBQESA-N -1 0 321.341 -0.827 20 0 DBADRM CC(C)CN1CCc2c([nH]nc2C(=O)N=c2nn[n-]n2C)C1 ZINC001278114299 803756205 /nfs/dbraw/zinc/75/62/05/803756205.db2.gz RGPMDYLRMBZRLV-UHFFFAOYSA-N -1 0 304.358 -0.379 20 0 DBADRM CCC(CC)C[N@H+]1C[C@@H]2C(C(=O)N=c3nn[n-]n3C)=NO[C@@H]2C1 ZINC001278133857 803758376 /nfs/dbraw/zinc/75/83/76/803758376.db2.gz FUXLHWRLNZVUGS-WDEREUQCSA-N -1 0 321.385 -0.307 20 0 DBADRM CCOc1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1C(=O)[O-] ZINC000035794428 803759277 /nfs/dbraw/zinc/75/92/77/803759277.db2.gz PTMFJEPISGVTDC-ZETCQYMHSA-N -1 0 316.335 -0.064 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000037225717 803760581 /nfs/dbraw/zinc/76/05/81/803760581.db2.gz ZYJACBMSMLSOFX-JTQLQIEISA-N -1 0 317.319 -0.495 20 0 DBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)COCC(=O)[O-])c1 ZINC000041064189 803761946 /nfs/dbraw/zinc/76/19/46/803761946.db2.gz IXZKXSFNWBPLMS-UHFFFAOYSA-N -1 0 316.335 -0.023 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)COCC(=O)[O-])ccc1C ZINC000041064247 803762081 /nfs/dbraw/zinc/76/20/81/803762081.db2.gz QAVAHBRPUDSCRT-UHFFFAOYSA-N -1 0 316.335 -0.057 20 0 DBADRM CC(C)C(=O)N[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000047682387 803772781 /nfs/dbraw/zinc/77/27/81/803772781.db2.gz VVXPXHFYDODKGM-UHFFFAOYSA-N -1 0 303.340 -0.053 20 0 DBADRM CC[C@@H](CNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000087499172 803799208 /nfs/dbraw/zinc/79/92/08/803799208.db2.gz WAPOTEVXAYAQTF-ZETCQYMHSA-N -1 0 303.340 -0.487 20 0 DBADRM NC(=O)CO[N-]C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000089463539 803799582 /nfs/dbraw/zinc/79/95/82/803799582.db2.gz OQIMDOGFBUPUHX-UHFFFAOYSA-N -1 0 306.366 -0.663 20 0 DBADRM O=C([O-])COCCNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000093226839 803802058 /nfs/dbraw/zinc/80/20/58/803802058.db2.gz FIMUVGHTKRINAG-SSDOTTSWSA-N -1 0 312.244 -0.385 20 0 DBADRM C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)CCS(C)(=O)=O ZINC000111441448 803807361 /nfs/dbraw/zinc/80/73/61/803807361.db2.gz ONUIHTRHVBZNNW-RQJHMYQMSA-N -1 0 317.410 -0.791 20 0 DBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)c1ccccc1F ZINC000123706584 803810598 /nfs/dbraw/zinc/81/05/98/803810598.db2.gz RHQZMCCDQDZQPA-UHFFFAOYSA-N -1 0 302.327 -0.037 20 0 DBADRM COc1n[nH]c(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)n1 ZINC000126779937 803811612 /nfs/dbraw/zinc/81/16/12/803811612.db2.gz BIELPAZFPLKOLG-ZCFIWIBFSA-N -1 0 306.369 -0.328 20 0 DBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)[N-]OCCOC ZINC000135136441 803817130 /nfs/dbraw/zinc/81/71/30/803817130.db2.gz GVMNGNGNBAWEOV-SECBINFHSA-N -1 0 314.429 -0.258 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NCC1(C(=O)[O-])CCCC1 ZINC000137831751 803818085 /nfs/dbraw/zinc/81/80/85/803818085.db2.gz IWXAMIKPTDUNST-UHFFFAOYSA-N -1 0 313.397 -0.405 20 0 DBADRM O=C(C=C1CCC1)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001278770653 803818795 /nfs/dbraw/zinc/81/87/95/803818795.db2.gz CBGDTPQXBZDNRQ-CQSZACIVSA-N -1 0 307.354 -0.326 20 0 DBADRM C=CCCOCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000148841604 803819583 /nfs/dbraw/zinc/81/95/83/803819583.db2.gz ZPBGJTXMQZKQRP-UHFFFAOYSA-N -1 0 315.351 -0.478 20 0 DBADRM Cn1ncnc1S(=O)(=O)CCC[N-]C(=O)C(F)(F)F ZINC000191066691 803826683 /nfs/dbraw/zinc/82/66/83/803826683.db2.gz LSCVGILYGHMYNV-UHFFFAOYSA-N -1 0 300.262 -0.343 20 0 DBADRM O=C(NC[C@H]1CN(CCF)CCO1)c1c[n-]n2c1nccc2=O ZINC001035535142 814968872 /nfs/dbraw/zinc/96/88/72/814968872.db2.gz FRRHJJIUQOLZAW-JTQLQIEISA-N -1 0 323.328 -0.577 20 0 DBADRM O=c1[nH][nH]c(=O)c2c([N-]S(=O)(=O)c3ncc[nH]3)cccc12 ZINC000314173736 803839092 /nfs/dbraw/zinc/83/90/92/803839092.db2.gz PBAKYADCFQYFQS-UHFFFAOYSA-N -1 0 307.291 -0.260 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@H](CO)[C@H](O)C2)ccc1F ZINC000316412422 803839660 /nfs/dbraw/zinc/83/96/60/803839660.db2.gz OFFOORBORKEVGU-RDDDGLTNSA-N -1 0 319.310 -0.502 20 0 DBADRM C/C(=C\C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001278843544 803843104 /nfs/dbraw/zinc/84/31/04/803843104.db2.gz GIXZEJKOXAQUHN-RUDMXATFSA-N -1 0 307.354 -0.471 20 0 DBADRM Cc1ccc(S(=O)(=O)NC2CS(=O)(=O)C2)cc1C(=O)[O-] ZINC000379882355 803852199 /nfs/dbraw/zinc/85/21/99/803852199.db2.gz BTSJJCWXWXDZOJ-UHFFFAOYSA-N -1 0 319.360 -0.231 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)NC2CS(=O)(=O)C2)c1 ZINC000380083437 803852532 /nfs/dbraw/zinc/85/25/32/803852532.db2.gz FCQQJIGDSSQSBV-UHFFFAOYSA-N -1 0 305.333 -0.540 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000386550597 803855761 /nfs/dbraw/zinc/85/57/61/803855761.db2.gz LWAZYJZNJAXOFA-BONVTDFDSA-N -1 0 310.350 -0.175 20 0 DBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC[C@](O)(C(=O)[O-])C1)CS2 ZINC000386479529 803855833 /nfs/dbraw/zinc/85/58/33/803855833.db2.gz QCZOXEKPVYUXJZ-OXHMUOHRSA-N -1 0 314.363 -0.512 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2COCCO2)C1 ZINC000387370608 803857197 /nfs/dbraw/zinc/85/71/97/803857197.db2.gz YXOOJBHTNZLLHI-ZWNOBZJWSA-N -1 0 302.327 -0.466 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N[C@]2(CO)CCOC2)c1 ZINC000393869482 803860286 /nfs/dbraw/zinc/86/02/86/803860286.db2.gz BXZGDPRZGSTPJR-LBPRGKRZSA-N -1 0 301.320 -0.186 20 0 DBADRM O=C([O-])C(=O)N1CCN(CC(=O)NCCc2ccccc2)CC1 ZINC000396636279 803860907 /nfs/dbraw/zinc/86/09/07/803860907.db2.gz HUAFETIQSPHRIL-UHFFFAOYSA-N -1 0 319.361 -0.426 20 0 DBADRM CC1(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCOCC1 ZINC000396641137 803861467 /nfs/dbraw/zinc/86/14/67/803861467.db2.gz JOXJXFODDZEKKY-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)NC[C@@H]2CCCS2)CC1 ZINC000396735730 803861836 /nfs/dbraw/zinc/86/18/36/803861836.db2.gz JBXACWJKZRAOFW-VIFPVBQESA-N -1 0 301.368 -0.180 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC000396746406 803862238 /nfs/dbraw/zinc/86/22/38/803862238.db2.gz ZEAPJFVFDVJAQY-UHFFFAOYSA-N -1 0 302.290 -0.297 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000396746494 803862374 /nfs/dbraw/zinc/86/23/74/803862374.db2.gz NYRDRVSSRSMBLY-LBPRGKRZSA-N -1 0 320.301 -0.418 20 0 DBADRM Cn1nc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c2ccccc21 ZINC000396747368 803862439 /nfs/dbraw/zinc/86/24/39/803862439.db2.gz PDQMLOBSUHUJHZ-UHFFFAOYSA-N -1 0 316.317 -0.058 20 0 DBADRM CC[C@@](C)(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)OC ZINC000396760773 803862503 /nfs/dbraw/zinc/86/25/03/803862503.db2.gz HKUFQSXTMVRLRH-ZDUSSCGKSA-N -1 0 301.343 -0.260 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)CCS(C)(=O)=O ZINC000399699796 803863899 /nfs/dbraw/zinc/86/38/99/803863899.db2.gz BWUGVKUWAGBEHL-RKDXNWHRSA-N -1 0 315.413 -0.304 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000398668345 803864203 /nfs/dbraw/zinc/86/42/03/803864203.db2.gz CZGODRFAXIKHCJ-UWVGGRQHSA-N -1 0 321.399 -0.322 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](N=c2ccc(OC(F)F)n[n-]2)C1 ZINC000400107041 803864407 /nfs/dbraw/zinc/86/44/07/803864407.db2.gz DCXNPMPUEOSPFN-SSDOTTSWSA-N -1 0 308.310 -0.054 20 0 DBADRM Cn1cc(S(=O)(=O)NCC[C@@]2(O)CCOC2)cc1C(=O)[O-] ZINC000403124944 803865781 /nfs/dbraw/zinc/86/57/81/803865781.db2.gz OKLPZYPZBHYIBK-GFCCVEGCSA-N -1 0 318.351 -0.457 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@@H]1C[C@H]1C1CC1 ZINC001035544005 814972507 /nfs/dbraw/zinc/97/25/07/814972507.db2.gz XRJVRBSFUBLXCI-SDDRHHMPSA-N -1 0 321.381 -0.127 20 0 DBADRM C[C@H](C(=O)N(C)c1nnn[n-]1)N1C(=O)c2ccccc2C1=O ZINC001279187530 803875072 /nfs/dbraw/zinc/87/50/72/803875072.db2.gz IJRUWEJPBXFRNK-SSDOTTSWSA-N -1 0 300.278 -0.153 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)CC2)C1=O ZINC000647165918 803895340 /nfs/dbraw/zinc/89/53/40/803895340.db2.gz NSXZMXIOCZIINJ-DTWKUNHWSA-N -1 0 323.349 -0.114 20 0 DBADRM COc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)cc1Cl ZINC000650386759 803897749 /nfs/dbraw/zinc/89/77/49/803897749.db2.gz JVJOAZWDHCSLDG-XNCJUZBTSA-N -1 0 324.742 -0.144 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CCn2cccc2[C@@H]1C(=O)[O-] ZINC000650423228 803898309 /nfs/dbraw/zinc/89/83/09/803898309.db2.gz LUNKUUVRAUUPNC-SNVBAGLBSA-N -1 0 311.323 -0.553 20 0 DBADRM CC(C)[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cnnn1C ZINC000650419857 803898376 /nfs/dbraw/zinc/89/83/76/803898376.db2.gz FRMBLNUQVBURAP-SCZZXKLOSA-N -1 0 302.356 -0.065 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@H](Cc2ncccn2)C(=O)[O-])c1 ZINC000650429122 803898886 /nfs/dbraw/zinc/89/88/86/803898886.db2.gz CHTGCJQYIQNTLZ-MRVPVSSYSA-N -1 0 311.323 -0.816 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)c1[O-] ZINC000676699029 803904702 /nfs/dbraw/zinc/90/47/02/803904702.db2.gz ZJGNHEOFDILZSU-MRVPVSSYSA-N -1 0 302.356 -0.436 20 0 DBADRM CC[C@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000690659487 803907806 /nfs/dbraw/zinc/90/78/06/803907806.db2.gz MWYHMESMIKILOL-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000697990947 803911761 /nfs/dbraw/zinc/91/17/61/803911761.db2.gz ZIJPMRNDJLHCFN-SECBINFHSA-N -1 0 313.397 -0.549 20 0 DBADRM CCN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[C@H](C)C(=O)[O-] ZINC000707905695 803918588 /nfs/dbraw/zinc/91/85/88/803918588.db2.gz SMUBKUVIPZCVKV-ZJUUUORDSA-N -1 0 306.384 -0.020 20 0 DBADRM Cn1cc(CNC(=O)COCC(=O)[O-])c(Br)n1 ZINC000720651918 803927723 /nfs/dbraw/zinc/92/77/23/803927723.db2.gz DAUAOGJLTPXDIC-UHFFFAOYSA-N -1 0 306.116 -0.100 20 0 DBADRM O=S(=O)(CC(F)(F)F)[N-]CCS(=O)(=O)N1CCCC1 ZINC000721909244 803929192 /nfs/dbraw/zinc/92/91/92/803929192.db2.gz SZYFHFYVDJVUNS-UHFFFAOYSA-N -1 0 324.346 -0.106 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000737615505 803933949 /nfs/dbraw/zinc/93/39/49/803933949.db2.gz ATLZJHXXZQPKCC-ZJUUUORDSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1)n1cncn1 ZINC000737560527 803934576 /nfs/dbraw/zinc/93/45/76/803934576.db2.gz RLRKUWNTOHVECA-GHMZBOCLSA-N -1 0 323.353 -0.379 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1)n1cncn1 ZINC000737560539 803934906 /nfs/dbraw/zinc/93/49/06/803934906.db2.gz RLRKUWNTOHVECA-WDEREUQCSA-N -1 0 323.353 -0.379 20 0 DBADRM O=C(c1cc2c(cc1O)OCO2)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000738247332 803937574 /nfs/dbraw/zinc/93/75/74/803937574.db2.gz BTAUTFQRXVITHL-LLVKDONJSA-N -1 0 319.277 -0.152 20 0 DBADRM CC(C)NC(=O)[C@@H](C)OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738854124 803938077 /nfs/dbraw/zinc/93/80/77/803938077.db2.gz MOZYCQFZSDGLPH-SECBINFHSA-N -1 0 315.326 -0.735 20 0 DBADRM O=C([N-]N1CC(=O)NC1=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000738505949 803939226 /nfs/dbraw/zinc/93/92/26/803939226.db2.gz RJFNZMIWEWHFJM-UHFFFAOYSA-N -1 0 304.241 -0.397 20 0 DBADRM CC[C@@H](O)CN1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739262679 803941014 /nfs/dbraw/zinc/94/10/14/803941014.db2.gz BBSKBOBERKVRLD-VXGBXAGGSA-N -1 0 315.370 -0.720 20 0 DBADRM COC1(C(=O)N(CC(N)=O)C(C)C)CCN(C(=O)[O-])CC1 ZINC000739794963 803941028 /nfs/dbraw/zinc/94/10/28/803941028.db2.gz CFZDAMUIXQAYSH-UHFFFAOYSA-N -1 0 301.343 -0.132 20 0 DBADRM CN(CCNC(=O)[C@@H](Cc1ccccc1)NC(N)=O)C(=O)[O-] ZINC000739689663 803941627 /nfs/dbraw/zinc/94/16/27/803941627.db2.gz JANRCCYUJBGCIG-LLVKDONJSA-N -1 0 308.338 -0.008 20 0 DBADRM COCCN1C[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)[O-])CC1=O ZINC000739829933 803942795 /nfs/dbraw/zinc/94/27/95/803942795.db2.gz SMTKYKOAAREGBY-UWVGGRQHSA-N -1 0 301.343 -0.404 20 0 DBADRM COCCN(CC(=O)N[C@@H](C)[C@H](C)N1CCOCC1)C(=O)[O-] ZINC000739823206 803942899 /nfs/dbraw/zinc/94/28/99/803942899.db2.gz QESBXBNUXZWNKK-RYUDHWBXSA-N -1 0 317.386 -0.162 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)CC(C)(C)NC(=O)[O-])CC1 ZINC000740007429 803943613 /nfs/dbraw/zinc/94/36/13/803943613.db2.gz WBVXAWVVZHOUCL-OAQYLSRUSA-N -1 0 319.427 -0.055 20 0 DBADRM CS(=O)(=O)CCCNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739981718 803943617 /nfs/dbraw/zinc/94/36/17/803943617.db2.gz CKOFMFGAZNMESV-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCCc2cccc(O)c2)C(=O)C1 ZINC000740369525 803945828 /nfs/dbraw/zinc/94/58/28/803945828.db2.gz QOXSPUDIKGASJB-UHFFFAOYSA-N -1 0 321.333 -0.127 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C1CC=CC1 ZINC001280508742 803967258 /nfs/dbraw/zinc/96/72/58/803967258.db2.gz AXGNPLLHCYLTAO-MRVPVSSYSA-N -1 0 321.337 -0.174 20 0 DBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000742801214 803976441 /nfs/dbraw/zinc/97/64/41/803976441.db2.gz PTNWDRZXESCDPO-VIFPVBQESA-N -1 0 321.337 -0.225 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc1=O ZINC000743502293 803982026 /nfs/dbraw/zinc/98/20/26/803982026.db2.gz ZOTLSRWBFAKPSS-UHFFFAOYSA-N -1 0 302.352 -0.037 20 0 DBADRM O=C(NCCCN1C(=O)COc2ccccc21)c1cc(=O)[nH][n-]1 ZINC000743639531 803982671 /nfs/dbraw/zinc/98/26/71/803982671.db2.gz YIFNKPDGINJPPZ-UHFFFAOYSA-N -1 0 316.317 -0.206 20 0 DBADRM CS(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000744004327 803985353 /nfs/dbraw/zinc/98/53/53/803985353.db2.gz FMPKRSABGSMLAL-UHFFFAOYSA-N -1 0 324.318 -0.479 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1nnn(C)c1C ZINC000744143723 803986939 /nfs/dbraw/zinc/98/69/39/803986939.db2.gz IMUPJETWOJENHL-UHFFFAOYSA-N -1 0 304.328 -0.864 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2 ZINC000744240908 803988580 /nfs/dbraw/zinc/98/85/80/803988580.db2.gz SYPVPOPZFMKBAP-SNVBAGLBSA-N -1 0 307.397 -0.635 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)COc1ccc(C(N)=O)cc1 ZINC000744241850 803988618 /nfs/dbraw/zinc/98/86/18/803988618.db2.gz NXZHNASPDNSPMW-UHFFFAOYSA-N -1 0 315.351 -0.523 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000744239898 803988895 /nfs/dbraw/zinc/98/88/95/803988895.db2.gz XUWSKPXIESOEGR-UHFFFAOYSA-N -1 0 313.335 -0.056 20 0 DBADRM CCNC(=O)CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001280729942 804010314 /nfs/dbraw/zinc/01/03/14/804010314.db2.gz UQQYXZGOQOGJMO-JTQLQIEISA-N -1 0 324.385 -0.493 20 0 DBADRM CCO[N-]C(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000746110777 804010544 /nfs/dbraw/zinc/01/05/44/804010544.db2.gz KKHIQBNVGQCSKT-NSHDSACASA-N -1 0 319.317 -0.016 20 0 DBADRM O=CNc1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1 ZINC000746237964 804012353 /nfs/dbraw/zinc/01/23/53/804012353.db2.gz VDYRIFCHBCNERW-NSHDSACASA-N -1 0 302.294 -0.018 20 0 DBADRM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(=O)[nH][n-]1 ZINC000746309747 804014561 /nfs/dbraw/zinc/01/45/61/804014561.db2.gz HZANAQALFLQLMK-ZCFIWIBFSA-N -1 0 306.244 -0.468 20 0 DBADRM COC(=O)c1c(F)ccc(S(=O)(=O)N[C@@H](C)C(N)=O)c1F ZINC000746401769 804016418 /nfs/dbraw/zinc/01/64/18/804016418.db2.gz LSGINHHVYCDWIL-YFKPBYRVSA-N -1 0 322.289 -0.097 20 0 DBADRM COc1cccc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)c1 ZINC000746470687 804017429 /nfs/dbraw/zinc/01/74/29/804017429.db2.gz UVPDPPCYQYBPDB-UHFFFAOYSA-N -1 0 307.349 -0.455 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CCCF ZINC000747134435 804024048 /nfs/dbraw/zinc/02/40/48/804024048.db2.gz QMBURYVBGSMYPO-MRVPVSSYSA-N -1 0 316.376 -0.784 20 0 DBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000747182035 804025260 /nfs/dbraw/zinc/02/52/60/804025260.db2.gz SUUIKUMWBUAENF-UHFFFAOYSA-N -1 0 322.364 -0.083 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000747473674 804028585 /nfs/dbraw/zinc/02/85/85/804028585.db2.gz KFGMNDVOYXWPRC-LLVKDONJSA-N -1 0 309.351 -0.160 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000747473548 804029266 /nfs/dbraw/zinc/02/92/66/804029266.db2.gz HFFABFJJPIQYPZ-PSASIEDQSA-N -1 0 324.366 -0.657 20 0 DBADRM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)[C@@H]1CCC(=O)NC1 ZINC000747473250 804029306 /nfs/dbraw/zinc/02/93/06/804029306.db2.gz BKJJTOPJGLNKEC-PWSUYJOCSA-N -1 0 300.322 -0.069 20 0 DBADRM Cc1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c(=O)[nH]1 ZINC000747747222 804031104 /nfs/dbraw/zinc/03/11/04/804031104.db2.gz PNPFLCZFHBRFAB-UHFFFAOYSA-N -1 0 301.324 -0.598 20 0 DBADRM CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747757763 804032158 /nfs/dbraw/zinc/03/21/58/804032158.db2.gz SUXPYVFZMJCCQZ-UHFFFAOYSA-N -1 0 321.399 -0.624 20 0 DBADRM Cc1nc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c2ccccn12 ZINC000747757795 804032504 /nfs/dbraw/zinc/03/25/04/804032504.db2.gz UIRXIQJOERDOOV-UHFFFAOYSA-N -1 0 324.362 -0.050 20 0 DBADRM CC(C)OCCOC[C@H](O)CN(C)C(=O)c1cc(=O)[nH][n-]1 ZINC000748420446 804038693 /nfs/dbraw/zinc/03/86/93/804038693.db2.gz YEWCVYSEGAPYIL-SNVBAGLBSA-N -1 0 301.343 -0.877 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)nc1)C(=O)[O-] ZINC000748674600 804042606 /nfs/dbraw/zinc/04/26/06/804042606.db2.gz VRIGDUVDWUTSTQ-LURJTMIESA-N -1 0 307.715 -0.658 20 0 DBADRM COCCO[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000748769793 804043057 /nfs/dbraw/zinc/04/30/57/804043057.db2.gz HTLSODYAPHDFMF-GFCCVEGCSA-N -1 0 306.322 -0.199 20 0 DBADRM CC(C)CS(=O)(=O)[N-]C(=O)CCN1CCCS1(=O)=O ZINC000749073559 804046407 /nfs/dbraw/zinc/04/64/07/804046407.db2.gz FTXAXYWWMNVDRG-UHFFFAOYSA-N -1 0 312.413 -0.486 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cccn(C)c2=O)cn1 ZINC000749226545 804047184 /nfs/dbraw/zinc/04/71/84/804047184.db2.gz JRUWRTFYEZVCQD-UHFFFAOYSA-N -1 0 310.335 -0.280 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)cn1 ZINC000749227190 804047744 /nfs/dbraw/zinc/04/77/44/804047744.db2.gz ZRIJEEBJEFMJOX-UHFFFAOYSA-N -1 0 310.335 -0.430 20 0 DBADRM COCCO[N-]C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000750070577 804057063 /nfs/dbraw/zinc/05/70/63/804057063.db2.gz JGIZKVARSHWYDC-SNVBAGLBSA-N -1 0 301.324 -0.589 20 0 DBADRM CC(C)CS(=O)(=O)[N-]C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000750411650 804060221 /nfs/dbraw/zinc/06/02/21/804060221.db2.gz KQVXRQVTTZHWQI-UHFFFAOYSA-N -1 0 317.371 -0.918 20 0 DBADRM CCc1nc(CC(=O)[N-]S(=O)(=O)N2CCOCC2)cs1 ZINC000750732370 804064173 /nfs/dbraw/zinc/06/41/73/804064173.db2.gz UGBBJTRSOWVZQZ-UHFFFAOYSA-N -1 0 319.408 -0.059 20 0 DBADRM CCc1ncncc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750727321 804064286 /nfs/dbraw/zinc/06/42/86/804064286.db2.gz XUACDIIAKKTUQX-UHFFFAOYSA-N -1 0 300.340 -0.654 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc2nncn2c1 ZINC000750729589 804064676 /nfs/dbraw/zinc/06/46/76/804064676.db2.gz LPLDNUYMOIXIMA-UHFFFAOYSA-N -1 0 311.323 -0.964 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750725924 804064758 /nfs/dbraw/zinc/06/47/58/804064758.db2.gz NRDPVQPENDXPKT-VIFPVBQESA-N -1 0 321.399 -0.770 20 0 DBADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)N2CCOCC2)no1 ZINC000750727251 804064898 /nfs/dbraw/zinc/06/48/98/804064898.db2.gz XDKYGYUVCAKZPH-UHFFFAOYSA-N -1 0 305.312 -0.945 20 0 DBADRM O=C(CCCn1cccn1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750729340 804065066 /nfs/dbraw/zinc/06/50/66/804065066.db2.gz PHGNBTQGMMKPEA-UHFFFAOYSA-N -1 0 302.356 -0.644 20 0 DBADRM CC(C)c1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)nn1C ZINC000750728524 804065129 /nfs/dbraw/zinc/06/51/29/804065129.db2.gz IDHIZTMXTCVJGQ-UHFFFAOYSA-N -1 0 316.383 -0.150 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)[C@@H]2CSCCS2)n[n-]1 ZINC000751061172 804070844 /nfs/dbraw/zinc/07/08/44/804070844.db2.gz VXQOJSWJZPAKHU-YFKPBYRVSA-N -1 0 308.410 -0.005 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NCc2nnn[n-]2)ccc1F ZINC000752626857 804090783 /nfs/dbraw/zinc/09/07/83/804090783.db2.gz ONKJZAMLJQQDMA-UHFFFAOYSA-N -1 0 314.302 -0.823 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000752915419 804095156 /nfs/dbraw/zinc/09/51/56/804095156.db2.gz PPHMCLDEULFXAJ-ZJUUUORDSA-N -1 0 310.383 -0.173 20 0 DBADRM C[C@@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)NC(=O)C1CCCC1 ZINC000753945720 804114395 /nfs/dbraw/zinc/11/43/95/804114395.db2.gz TXFFBFGZHDOENJ-QMMMGPOBSA-N -1 0 319.383 -0.997 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cnn(-c2ccccc2)c1 ZINC000753951667 804114475 /nfs/dbraw/zinc/11/44/75/804114475.db2.gz WZWGUGYLJQZCNW-UHFFFAOYSA-N -1 0 308.319 -0.583 20 0 DBADRM COc1cc(C)cnc1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000754014014 804115296 /nfs/dbraw/zinc/11/52/96/804115296.db2.gz LBFTWWFSTQYXQE-UHFFFAOYSA-N -1 0 311.323 -0.354 20 0 DBADRM CCN1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000754227437 804118287 /nfs/dbraw/zinc/11/82/87/804118287.db2.gz XYSDEULLDAOJKB-JTQLQIEISA-N -1 0 304.354 -0.376 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CCc1nc(C)no1 ZINC000754670100 804124664 /nfs/dbraw/zinc/12/46/64/804124664.db2.gz XBXJLWCQLFWYPH-UHFFFAOYSA-N -1 0 319.339 -0.290 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c(C(F)F)n1 ZINC000755083110 804132523 /nfs/dbraw/zinc/13/25/23/804132523.db2.gz LDCMPNACQZNUMX-UHFFFAOYSA-N -1 0 324.309 -0.336 20 0 DBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000755872715 804141565 /nfs/dbraw/zinc/14/15/65/804141565.db2.gz SVJDVMNGHQFIST-NSHDSACASA-N -1 0 321.381 -0.983 20 0 DBADRM Cn1[n-]nnc1=NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000756141775 804146040 /nfs/dbraw/zinc/14/60/40/804146040.db2.gz NVJVMAOVXAZBGU-UHFFFAOYSA-N -1 0 314.293 -0.642 20 0 DBADRM COC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000756217035 804146124 /nfs/dbraw/zinc/14/61/24/804146124.db2.gz HYWWAOGWSBIZML-MRVPVSSYSA-N -1 0 317.367 -0.399 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000756560745 804152501 /nfs/dbraw/zinc/15/25/01/804152501.db2.gz IEAFSVVIOZDFDO-UHFFFAOYSA-N -1 0 324.380 -0.001 20 0 DBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000757329541 804161246 /nfs/dbraw/zinc/16/12/46/804161246.db2.gz CWGOOOPKNXZCCJ-JTQLQIEISA-N -1 0 312.388 -0.633 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(OC)nc1 ZINC000757314800 804161360 /nfs/dbraw/zinc/16/13/60/804161360.db2.gz DVSJKVQANALDOQ-UHFFFAOYSA-N -1 0 303.340 -0.357 20 0 DBADRM COC[C@@]1(C)CN(S(=O)(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CCO1 ZINC001465116774 804166272 /nfs/dbraw/zinc/16/62/72/804166272.db2.gz ZVQHWKKVEUCIKL-HOSYDEDBSA-N -1 0 307.368 -0.083 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)N1CCCCC1)C(=O)C1CC1 ZINC000759263537 804200379 /nfs/dbraw/zinc/20/03/79/804200379.db2.gz MUPKWPVIHLYCMP-UHFFFAOYSA-N -1 0 303.384 -0.298 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000759302973 804201660 /nfs/dbraw/zinc/20/16/60/804201660.db2.gz GXKXYVBPRQONGV-JTQLQIEISA-N -1 0 322.383 -0.894 20 0 DBADRM Cc1c(CCC(=O)[N-]S(=O)(=O)N2CCOCC2)cnn1C ZINC000759382631 804202827 /nfs/dbraw/zinc/20/28/27/804202827.db2.gz AUUFJTAZYOHCRM-UHFFFAOYSA-N -1 0 316.383 -0.646 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)cn1 ZINC000759801873 804210425 /nfs/dbraw/zinc/21/04/25/804210425.db2.gz BRFTUVQUXRXSAI-SECBINFHSA-N -1 0 313.335 -0.627 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN(CC(N)=O)CC1 ZINC000760189394 804221277 /nfs/dbraw/zinc/22/12/77/804221277.db2.gz MRKZMMARCYYSRG-UHFFFAOYSA-N -1 0 324.303 -0.927 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCCS(C)(=O)=O ZINC000760145090 804221570 /nfs/dbraw/zinc/22/15/70/804221570.db2.gz MRPMAYYAUAOZIZ-UHFFFAOYSA-N -1 0 318.317 -0.006 20 0 DBADRM Cc1[n-]n(C)c(=O)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000760223380 804222793 /nfs/dbraw/zinc/22/27/93/804222793.db2.gz LBLUWAKASRNKSQ-SNVBAGLBSA-N -1 0 310.335 -0.263 20 0 DBADRM COC(=O)c1coc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1 ZINC000760218226 804223115 /nfs/dbraw/zinc/22/31/15/804223115.db2.gz JPIOLIPJIUBGRW-MRVPVSSYSA-N -1 0 303.292 -0.085 20 0 DBADRM O=C([N-]N1CC(=O)NC1=O)c1cccc(OCC(F)F)n1 ZINC000760249964 804223155 /nfs/dbraw/zinc/22/31/55/804223155.db2.gz VUHQCTDDXCTRLU-UHFFFAOYSA-N -1 0 300.221 -0.078 20 0 DBADRM Cn1nc(Br)cc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000760393352 804224346 /nfs/dbraw/zinc/22/43/46/804224346.db2.gz JSMMNRHHPZMBRU-UHFFFAOYSA-N -1 0 301.104 -0.064 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1cc(C(N)=O)no1 ZINC000760423897 804224547 /nfs/dbraw/zinc/22/45/47/804224547.db2.gz JEWIZGQUKKZLOV-UHFFFAOYSA-N -1 0 322.243 -0.153 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1cc(C(N)=O)[nH]n1 ZINC000760455494 804224679 /nfs/dbraw/zinc/22/46/79/804224679.db2.gz SSVQMULXEIUAER-UHFFFAOYSA-N -1 0 307.232 -0.096 20 0 DBADRM CCOC(=O)C[C@@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000761027959 804232273 /nfs/dbraw/zinc/23/22/73/804232273.db2.gz CJODEBJJWLIMDM-SECBINFHSA-N -1 0 321.337 -0.223 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cncnc2)cc1 ZINC000761158552 804234542 /nfs/dbraw/zinc/23/45/42/804234542.db2.gz HGKJXPHNKWNSHW-UHFFFAOYSA-N -1 0 320.330 -0.045 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@H]1CCCCS1(=O)=O ZINC000761597857 804240024 /nfs/dbraw/zinc/24/00/24/804240024.db2.gz VIYHZJZNNCOMLE-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1)C(C)C ZINC000762127978 804244772 /nfs/dbraw/zinc/24/47/72/804244772.db2.gz JERAOVKMKVVKDQ-UWVGGRQHSA-N -1 0 322.383 -0.151 20 0 DBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762152145 804245649 /nfs/dbraw/zinc/24/56/49/804245649.db2.gz UCENDNOBDUCNBY-JTQLQIEISA-N -1 0 322.383 -0.005 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000762249558 804247078 /nfs/dbraw/zinc/24/70/78/804247078.db2.gz MCHPOJVFOVLIDA-MXWKQRLJSA-N -1 0 316.379 -0.096 20 0 DBADRM C[C@H]1CC[C@H](CCC(=O)NCCC(=O)[N-]S(C)(=O)=O)O1 ZINC000763451026 804267817 /nfs/dbraw/zinc/26/78/17/804267817.db2.gz LLFPWQDCYWKFSZ-VHSXEESVSA-N -1 0 306.384 -0.084 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(O)cc1F ZINC000763449997 804267882 /nfs/dbraw/zinc/26/78/82/804267882.db2.gz GVVTWWWWWWOSTC-UHFFFAOYSA-N -1 0 304.299 -0.273 20 0 DBADRM CCc1nc(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)cs1 ZINC000763457171 804268589 /nfs/dbraw/zinc/26/85/89/804268589.db2.gz PUHROSREACJGRD-UHFFFAOYSA-N -1 0 319.408 -0.170 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1cc2n(n1)CCCO2 ZINC000764046773 804278104 /nfs/dbraw/zinc/27/81/04/804278104.db2.gz ZHCIWQNWPOTSBM-VIFPVBQESA-N -1 0 315.351 -0.238 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000764019404 804278218 /nfs/dbraw/zinc/27/82/18/804278218.db2.gz NZJKMMHPVNJQMB-SECBINFHSA-N -1 0 316.383 -0.546 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000764155577 804278741 /nfs/dbraw/zinc/27/87/41/804278741.db2.gz JPQMEYDNECMOLG-ZCFIWIBFSA-N -1 0 306.365 -0.059 20 0 DBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C[C@H](C)OC)C(C)C ZINC000764207930 804280181 /nfs/dbraw/zinc/28/01/81/804280181.db2.gz KYPLJAIRVDLTIY-ONGXEEELSA-N -1 0 324.399 -0.746 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccco1 ZINC000764184040 804280193 /nfs/dbraw/zinc/28/01/93/804280193.db2.gz JOMMNPGKADOHSE-SECBINFHSA-N -1 0 318.351 -0.120 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC000764206294 804280516 /nfs/dbraw/zinc/28/05/16/804280516.db2.gz GKSMZSWXXCRIKK-KOLCDFICSA-N -1 0 306.384 -0.274 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CNC(=O)c1ccccc1 ZINC000764215695 804280532 /nfs/dbraw/zinc/28/05/32/804280532.db2.gz HUHDJVNOPLNZJM-SNVBAGLBSA-N -1 0 314.363 -0.103 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC000764212399 804280542 /nfs/dbraw/zinc/28/05/42/804280542.db2.gz WPINNDXDQMOVJR-QWRGUYRKSA-N -1 0 320.411 -0.028 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC000764216836 804280597 /nfs/dbraw/zinc/28/05/97/804280597.db2.gz KQKGNCAAXGGZIP-SECBINFHSA-N -1 0 306.384 -0.226 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)cn1 ZINC000764206661 804280708 /nfs/dbraw/zinc/28/07/08/804280708.db2.gz FVOKIQSUCDJHOU-QMMMGPOBSA-N -1 0 303.340 -0.030 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000764184300 804280737 /nfs/dbraw/zinc/28/07/37/804280737.db2.gz ZLMRDZDUMXSYPY-BDAKNGLRSA-N -1 0 304.368 -0.522 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)cn1 ZINC000764206658 804280804 /nfs/dbraw/zinc/28/08/04/804280804.db2.gz FVOKIQSUCDJHOU-MRVPVSSYSA-N -1 0 303.340 -0.030 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2 ZINC000764217467 804281674 /nfs/dbraw/zinc/28/16/74/804281674.db2.gz NIERTCFXIAINKL-LDYMZIIASA-N -1 0 322.408 -0.467 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000764217466 804282043 /nfs/dbraw/zinc/28/20/43/804282043.db2.gz NIERTCFXIAINKL-KWQFWETISA-N -1 0 322.408 -0.467 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CNC(C)=O)c1 ZINC000764759021 804288205 /nfs/dbraw/zinc/28/82/05/804288205.db2.gz JNONUUFGJHMCSG-UHFFFAOYSA-N -1 0 314.319 -0.586 20 0 DBADRM COc1ccnc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1 ZINC000765105090 804293379 /nfs/dbraw/zinc/29/33/79/804293379.db2.gz ZAJSBPUYSJYFBU-UHFFFAOYSA-N -1 0 314.305 -0.209 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](CO)C1CC1 ZINC000765114163 804294618 /nfs/dbraw/zinc/29/46/18/804294618.db2.gz CZYCQNBAVNJZGC-ZETCQYMHSA-N -1 0 306.365 -0.021 20 0 DBADRM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc(=O)[nH][n-]1 ZINC000765404372 804297574 /nfs/dbraw/zinc/29/75/74/804297574.db2.gz SQPZKTLHFOEPRU-VIFPVBQESA-N -1 0 313.317 -0.223 20 0 DBADRM O=C(CNC(=O)c1n[nH]c(=O)[n-]c1=O)OCc1ccccc1 ZINC000765466543 804300982 /nfs/dbraw/zinc/30/09/82/804300982.db2.gz AMOQDEPHAUMVCF-UHFFFAOYSA-N -1 0 304.262 -0.244 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCc2nnn[n-]2)C1 ZINC000765493356 804301235 /nfs/dbraw/zinc/30/12/35/804301235.db2.gz GZOFXSODNUJIHI-QMMMGPOBSA-N -1 0 312.330 -0.548 20 0 DBADRM C[C@@H]1CN=C(N2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)S1 ZINC000765488923 804301634 /nfs/dbraw/zinc/30/16/34/804301634.db2.gz IIDMFFWPADHKDI-SSDOTTSWSA-N -1 0 324.366 -0.468 20 0 DBADRM CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765651479 804304891 /nfs/dbraw/zinc/30/48/91/804304891.db2.gz PUDOCRNRTXYGQI-UHFFFAOYSA-N -1 0 316.383 -0.223 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cncc(COC)c1 ZINC000765612969 804305019 /nfs/dbraw/zinc/30/50/19/804305019.db2.gz PMCKBINHSXQIJA-UHFFFAOYSA-N -1 0 317.367 -0.219 20 0 DBADRM Cc1nc[nH]c1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035622519 815007629 /nfs/dbraw/zinc/00/76/29/815007629.db2.gz VERMHBUTQQTLDV-VIFPVBQESA-N -1 0 321.341 -0.827 20 0 DBADRM CCC[C@@H]1C(=O)NCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000766010854 804309765 /nfs/dbraw/zinc/30/97/65/804309765.db2.gz CJZUSIGRWZOQDO-SNVBAGLBSA-N -1 0 318.337 -0.802 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766644102 804317448 /nfs/dbraw/zinc/31/74/48/804317448.db2.gz UOMZIMAALHCTJU-JTQLQIEISA-N -1 0 311.363 -0.104 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCCOc1ccccc1F ZINC000766915955 804321419 /nfs/dbraw/zinc/32/14/19/804321419.db2.gz KAUSESKDUAHBKG-UHFFFAOYSA-N -1 0 318.326 -0.084 20 0 DBADRM CC[C@@H](C)n1nc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1C ZINC000766916664 804321600 /nfs/dbraw/zinc/32/16/00/804321600.db2.gz NLUGWTCIJNUHQQ-SSDOTTSWSA-N -1 0 302.356 -0.293 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C[C@H]1CCOc2ccccc21 ZINC000766921535 804321752 /nfs/dbraw/zinc/32/17/52/804321752.db2.gz KPVBBHBYMIZQFG-SECBINFHSA-N -1 0 312.347 -0.126 20 0 DBADRM CC[C@H](C)n1nc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1C ZINC000766916670 804321784 /nfs/dbraw/zinc/32/17/84/804321784.db2.gz NLUGWTCIJNUHQQ-ZETCQYMHSA-N -1 0 302.356 -0.293 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)Cc1ccn(-c2ccccc2)n1 ZINC000766917491 804321848 /nfs/dbraw/zinc/32/18/48/804321848.db2.gz SNQACUGEEDYUNO-UHFFFAOYSA-N -1 0 322.346 -0.654 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCNC(=O)C1CCCCC1 ZINC000766921431 804321980 /nfs/dbraw/zinc/32/19/80/804321980.db2.gz HDRYCTNJJRLRBH-UHFFFAOYSA-N -1 0 319.383 -0.996 20 0 DBADRM COc1cc(C)c(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1OC ZINC000766924746 804322160 /nfs/dbraw/zinc/32/21/60/804322160.db2.gz OACGWJVLSQISOH-UHFFFAOYSA-N -1 0 316.335 -0.443 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccnc(OCC(F)F)c1 ZINC000766921727 804322285 /nfs/dbraw/zinc/32/22/85/804322285.db2.gz BTWQXKRNRKETTG-UHFFFAOYSA-N -1 0 323.277 -0.730 20 0 DBADRM COc1ccc(C[C@@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766922368 804322520 /nfs/dbraw/zinc/32/25/20/804322520.db2.gz MRZJGBIGSVEMOD-SECBINFHSA-N -1 0 314.363 -0.195 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cnc(-c2ccccc2)nc1 ZINC000766921569 804322580 /nfs/dbraw/zinc/32/25/80/804322580.db2.gz LHXOUUYCSKRCDE-UHFFFAOYSA-N -1 0 320.330 -0.312 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCCOc1cccc(F)c1 ZINC000766924756 804322600 /nfs/dbraw/zinc/32/26/00/804322600.db2.gz VOVBPYPKMUZHTI-UHFFFAOYSA-N -1 0 318.326 -0.084 20 0 DBADRM CC(C)[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)CCO1 ZINC000766924326 804322728 /nfs/dbraw/zinc/32/27/28/804322728.db2.gz FAOKTDTUZDWQDP-UWVGGRQHSA-N -1 0 306.384 -0.241 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000766923930 804322822 /nfs/dbraw/zinc/32/28/22/804322822.db2.gz KOYRKWRGKZHTLL-SMDDNHRTSA-N -1 0 308.359 -0.178 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCCOc1ccc(F)cc1 ZINC000766927810 804323065 /nfs/dbraw/zinc/32/30/65/804323065.db2.gz ATLKPFTUQGDBBJ-UHFFFAOYSA-N -1 0 318.326 -0.084 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(Cn2cccn2)cc1 ZINC000766925647 804323086 /nfs/dbraw/zinc/32/30/86/804323086.db2.gz ACMZVZFCKLMDRE-UHFFFAOYSA-N -1 0 322.346 -0.524 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CSC[C@H]1CCCCO1 ZINC000766925126 804323104 /nfs/dbraw/zinc/32/31/04/804323104.db2.gz YDVCQGVMFLVRPU-MRVPVSSYSA-N -1 0 310.397 -0.780 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)COc1ccc(F)cc1Cl ZINC000766926858 804323200 /nfs/dbraw/zinc/32/32/00/804323200.db2.gz JLECBIDVLCSJAT-UHFFFAOYSA-N -1 0 324.717 -0.211 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)Cc1c(F)cccc1Cl ZINC000766926566 804323220 /nfs/dbraw/zinc/32/32/20/804323220.db2.gz XDWFGWHYEUUAST-UHFFFAOYSA-N -1 0 308.718 -0.047 20 0 DBADRM Cc1nn(-c2ccccc2)cc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766925553 804323499 /nfs/dbraw/zinc/32/34/99/804323499.db2.gz CEGVQMRGMSVYCB-UHFFFAOYSA-N -1 0 322.346 -0.274 20 0 DBADRM CCCn1ncc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1C1CC1 ZINC000766926909 804323508 /nfs/dbraw/zinc/32/35/08/804323508.db2.gz QWLDYQWYPBNTQU-UHFFFAOYSA-N -1 0 314.367 -0.285 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000766924893 804323574 /nfs/dbraw/zinc/32/35/74/804323574.db2.gz PNZDGACBRDALEA-RQJHMYQMSA-N -1 0 318.301 0.000 20 0 DBADRM Cc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)nn1[C@@H](C)C1CC1 ZINC000766926247 804323715 /nfs/dbraw/zinc/32/37/15/804323715.db2.gz IAFWDGYZGFYITI-QMMMGPOBSA-N -1 0 314.367 -0.293 20 0 DBADRM C[C@H](Oc1ccc(F)c(F)c1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766928372 804323900 /nfs/dbraw/zinc/32/39/00/804323900.db2.gz TZJZLQXNTNIJAH-LURJTMIESA-N -1 0 322.289 -0.337 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccn1Cc1ccncc1 ZINC000766930167 804324019 /nfs/dbraw/zinc/32/40/19/804324019.db2.gz YBFPKVJOMIXPCN-UHFFFAOYSA-N -1 0 322.346 -0.524 20 0 DBADRM COc1cccc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766928888 804324052 /nfs/dbraw/zinc/32/40/52/804324052.db2.gz VZNVWVCYCUNOFJ-WDEREUQCSA-N -1 0 312.347 -0.270 20 0 DBADRM CCc1cccc(OCC(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766929412 804324313 /nfs/dbraw/zinc/32/43/13/804324313.db2.gz YZOPLSCEMPRRRT-UHFFFAOYSA-N -1 0 300.336 -0.441 20 0 DBADRM C[C@H](Oc1ccccc1F)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766928495 804324438 /nfs/dbraw/zinc/32/44/38/804324438.db2.gz RVQUGMVXLDVYKT-ZETCQYMHSA-N -1 0 304.299 -0.476 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)CC(N)=O)nnn1-c1ccccc1 ZINC000766928456 804324519 /nfs/dbraw/zinc/32/45/19/804324519.db2.gz FGFCCLRAECPDMD-UHFFFAOYSA-N -1 0 323.334 -0.879 20 0 DBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1-c1ccccc1 ZINC000766929682 804324624 /nfs/dbraw/zinc/32/46/24/804324624.db2.gz RDQKZRXYCGBBHC-UHFFFAOYSA-N -1 0 322.346 -0.368 20 0 DBADRM CCSc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cn1 ZINC000766929662 804324657 /nfs/dbraw/zinc/32/46/57/804324657.db2.gz PUUGPSCMDXMGHG-UHFFFAOYSA-N -1 0 303.365 -0.262 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)CCN1CCCC1=O ZINC000766971463 804325376 /nfs/dbraw/zinc/32/53/76/804325376.db2.gz OVXMNXLFIVMTIH-UHFFFAOYSA-N -1 0 306.384 -0.129 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)CCCCOC ZINC000766956155 804325511 /nfs/dbraw/zinc/32/55/11/804325511.db2.gz HAXXXUDLRWFACB-NSHDSACASA-N -1 0 308.400 -0.420 20 0 DBADRM Cc1cc(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)nn1C ZINC000768022803 804337284 /nfs/dbraw/zinc/33/72/84/804337284.db2.gz NRFJFXCYHZBZHQ-UHFFFAOYSA-N -1 0 302.294 -0.143 20 0 DBADRM CCOC(=O)[C@H]1CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000768545981 804340221 /nfs/dbraw/zinc/34/02/21/804340221.db2.gz HKHOCBDBKDIPBA-SNVBAGLBSA-N -1 0 319.321 -0.375 20 0 DBADRM C[C@H](CNC(=O)c1n[n-]c2ccccc2c1=O)S(N)(=O)=O ZINC000768595438 804340885 /nfs/dbraw/zinc/34/08/85/804340885.db2.gz QGNJBZYOQKEWBO-SSDOTTSWSA-N -1 0 310.335 -0.258 20 0 DBADRM C[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H](C)CN1C ZINC000768846277 804342916 /nfs/dbraw/zinc/34/29/16/804342916.db2.gz PYALJQSKFPTKPG-UWVGGRQHSA-N -1 0 304.354 -0.378 20 0 DBADRM O=C(c1cc[nH]n1)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001035657172 815010776 /nfs/dbraw/zinc/01/07/76/815010776.db2.gz CCPKFUKUUCKXNC-UHFFFAOYSA-N -1 0 317.353 -0.028 20 0 DBADRM CN(C)c1ncncc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000769698882 804351222 /nfs/dbraw/zinc/35/12/22/804351222.db2.gz AXQNPGXWBLPENZ-UHFFFAOYSA-N -1 0 314.309 -0.434 20 0 DBADRM CO[C@H](C)C(=O)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001035666330 815011482 /nfs/dbraw/zinc/01/14/82/815011482.db2.gz RVTBZSUFQZCYAF-SNVBAGLBSA-N -1 0 309.370 -0.030 20 0 DBADRM O=C([N-]S(=O)(=O)CCCF)c1ccc2n[nH]c(=O)n2c1 ZINC000770142288 804358418 /nfs/dbraw/zinc/35/84/18/804358418.db2.gz XNRNXUVSCIWNAS-UHFFFAOYSA-N -1 0 302.287 -0.146 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnccn1)c1ccc2n[nH]c(=O)n2c1 ZINC000770151489 804358448 /nfs/dbraw/zinc/35/84/48/804358448.db2.gz VAJJAOVGUMIZGL-UHFFFAOYSA-N -1 0 320.290 -0.656 20 0 DBADRM CCOC(=O)C1(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000770126284 804359042 /nfs/dbraw/zinc/35/90/42/804359042.db2.gz NPAXFCROMNHQNK-UHFFFAOYSA-N -1 0 319.321 -0.469 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)nc1C ZINC000770200281 804359917 /nfs/dbraw/zinc/35/99/17/804359917.db2.gz FRZAISUIKYFGKU-UHFFFAOYSA-N -1 0 324.362 -0.122 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)Cc2cn(C)nc2C)c1[O-] ZINC001282975628 804365454 /nfs/dbraw/zinc/36/54/54/804365454.db2.gz STDQHEZVNVWLNZ-UHFFFAOYSA-N -1 0 320.353 -0.446 20 0 DBADRM COc1nc(C(=O)OCC(=O)NC[C@H]2CCCO2)cc(=O)[n-]1 ZINC000770515173 804365517 /nfs/dbraw/zinc/36/55/17/804365517.db2.gz HDOGLGICIPNVIG-MRVPVSSYSA-N -1 0 311.294 -0.357 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC000770618872 804366905 /nfs/dbraw/zinc/36/69/05/804366905.db2.gz PQFVGMLMEZGBNQ-LBPRGKRZSA-N -1 0 305.400 -0.052 20 0 DBADRM CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000771298420 804375009 /nfs/dbraw/zinc/37/50/09/804375009.db2.gz QBKJIPLTMGNYTR-UHFFFAOYSA-N -1 0 304.372 -0.465 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)n(C)n1 ZINC000771521584 804376285 /nfs/dbraw/zinc/37/62/85/804376285.db2.gz ZXZSDPPSMRNYDA-RKDXNWHRSA-N -1 0 317.367 -0.014 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc3c(c2)C(=O)NCC3)c1[O-] ZINC000772023048 804382572 /nfs/dbraw/zinc/38/25/72/804382572.db2.gz DFWFZQWQZJLUIN-NSHDSACASA-N -1 0 317.301 -0.040 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)Cc2ccco2)cc1C(N)=O ZINC000772633075 804390126 /nfs/dbraw/zinc/39/01/26/804390126.db2.gz NSWRDXJNTBBHET-UHFFFAOYSA-N -1 0 311.319 -0.235 20 0 DBADRM C[C@H](C(=O)[N-]OCC(N)=O)S(=O)(=O)c1ccc(F)cc1 ZINC000772930779 804393480 /nfs/dbraw/zinc/39/34/80/804393480.db2.gz FUTNCXABROIAQW-SSDOTTSWSA-N -1 0 304.299 -0.479 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000772929225 804393506 /nfs/dbraw/zinc/39/35/06/804393506.db2.gz CVZBPQGPRPJDHW-NSHDSACASA-N -1 0 305.338 -0.187 20 0 DBADRM NC(=O)CO[N-]C(=O)CNC(=O)c1c(F)cccc1Cl ZINC000772932369 804394181 /nfs/dbraw/zinc/39/41/81/804394181.db2.gz DXUKMNHSMKEGPB-UHFFFAOYSA-N -1 0 303.677 -0.258 20 0 DBADRM CC(C)C(=O)Nc1nc(CC(=O)[N-]OCC(N)=O)cs1 ZINC000772938165 804394211 /nfs/dbraw/zinc/39/42/11/804394211.db2.gz AZPKDBKUMXXATP-UHFFFAOYSA-N -1 0 300.340 -0.187 20 0 DBADRM NC(=O)CONC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000772948697 804395809 /nfs/dbraw/zinc/39/58/09/804395809.db2.gz JOWDEJOPODCXFH-UHFFFAOYSA-N -1 0 322.346 -0.392 20 0 DBADRM CN1N=C(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)CCC1=O ZINC000773155448 804396373 /nfs/dbraw/zinc/39/63/73/804396373.db2.gz VWBWRLSQWGSADK-MRVPVSSYSA-N -1 0 309.355 -0.576 20 0 DBADRM COc1ccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)nn1 ZINC000773160962 804397774 /nfs/dbraw/zinc/39/77/74/804397774.db2.gz IWHDKXHHZOZVGE-QMMMGPOBSA-N -1 0 307.339 -0.071 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001035696488 815015042 /nfs/dbraw/zinc/01/50/42/815015042.db2.gz HCVWKWIBSSKJRY-GFCCVEGCSA-N -1 0 323.397 -0.048 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000773620160 804405357 /nfs/dbraw/zinc/40/53/57/804405357.db2.gz WTHNNIYEHASTFQ-UHFFFAOYSA-N -1 0 320.309 -0.315 20 0 DBADRM O=C(c1ncc[nH]1)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001035700883 815015628 /nfs/dbraw/zinc/01/56/28/815015628.db2.gz KUJGAFRPNFYMHG-UHFFFAOYSA-N -1 0 317.353 -0.028 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)C1=O ZINC000774038639 804412359 /nfs/dbraw/zinc/41/23/59/804412359.db2.gz RQONOKDBSQGJKU-VHSXEESVSA-N -1 0 304.368 -0.520 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)N1CCCC1)[C@H]1CCSC1 ZINC000774005029 804412654 /nfs/dbraw/zinc/41/26/54/804412654.db2.gz NTFPWEOEJSACIN-JTQLQIEISA-N -1 0 307.441 -0.120 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1)[C@H]1CCSC1 ZINC000774087491 804413226 /nfs/dbraw/zinc/41/32/26/804413226.db2.gz SKFCAWFLGDBHPD-UWVGGRQHSA-N -1 0 308.425 -0.341 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)Cc2ccnn2C)c1Cl ZINC000774068614 804413941 /nfs/dbraw/zinc/41/39/41/804413941.db2.gz KNLDUNGQUKKMRB-UHFFFAOYSA-N -1 0 317.758 -0.145 20 0 DBADRM O=C(CCCCc1c[nH]nn1)[N-]S(=O)(=O)c1cnccn1 ZINC000774139665 804414546 /nfs/dbraw/zinc/41/45/46/804414546.db2.gz OSFNONOHTPUUNW-UHFFFAOYSA-N -1 0 310.339 -0.187 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CCCCc1c[nH]nn1 ZINC000774098501 804415015 /nfs/dbraw/zinc/41/50/15/804415015.db2.gz XTJHETKZUQUZNP-VIFPVBQESA-N -1 0 304.372 -0.002 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccnc(N(C)C)c1 ZINC000774172693 804416327 /nfs/dbraw/zinc/41/63/27/804416327.db2.gz HVIVYHCJJQCXHT-UHFFFAOYSA-N -1 0 316.383 -0.300 20 0 DBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)C2CCC2)CC1=O ZINC000774296643 804420359 /nfs/dbraw/zinc/42/03/59/804420359.db2.gz RZEFAOBPTHFYLK-VIFPVBQESA-N -1 0 304.368 -0.520 20 0 DBADRM COc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)c(Cl)n1 ZINC000774260246 804420483 /nfs/dbraw/zinc/42/04/83/804420483.db2.gz AWIOASVASZXTJX-UHFFFAOYSA-N -1 0 311.689 -0.488 20 0 DBADRM CC1(C)CC[C@@H]1C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001283128127 804424740 /nfs/dbraw/zinc/42/47/40/804424740.db2.gz WPUOEEXGJCDWOM-SSDOTTSWSA-N -1 0 309.326 -0.435 20 0 DBADRM Cn1c2ccccc2n(CC(=O)OCc2n[nH]c(=O)[n-]2)c1=O ZINC000774896252 804432964 /nfs/dbraw/zinc/43/29/64/804432964.db2.gz JFTCFHHTCUBERL-UHFFFAOYSA-N -1 0 303.278 -0.093 20 0 DBADRM Cc1oc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1S(N)(=O)=O ZINC000774969506 804435678 /nfs/dbraw/zinc/43/56/78/804435678.db2.gz QIBSQWLQYSTAHI-UHFFFAOYSA-N -1 0 302.268 -0.584 20 0 DBADRM CNC(=O)c1cccc(OCC(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000774990509 804435700 /nfs/dbraw/zinc/43/57/00/804435700.db2.gz CSXXUMSJSZVOMZ-UHFFFAOYSA-N -1 0 306.278 -0.008 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774961413 804435856 /nfs/dbraw/zinc/43/58/56/804435856.db2.gz RUUQVEYDISPQHE-HTRCEHHLSA-N -1 0 300.315 -0.535 20 0 DBADRM O=C(CN1CCN(c2ccccn2)CC1)OCc1n[nH]c(=O)[n-]1 ZINC000774958179 804436147 /nfs/dbraw/zinc/43/61/47/804436147.db2.gz BZBBCCWQYRPGHT-UHFFFAOYSA-N -1 0 318.337 -0.229 20 0 DBADRM CCOCC(=O)NCCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001283174183 804438982 /nfs/dbraw/zinc/43/89/82/804438982.db2.gz WZGVSVSHNWMPJN-UHFFFAOYSA-N -1 0 321.337 -0.705 20 0 DBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000775310604 804439184 /nfs/dbraw/zinc/43/91/84/804439184.db2.gz OSLBMHIKKLWEMD-SSDOTTSWSA-N -1 0 314.319 -0.255 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)CCCC(=O)OC)CC1 ZINC000775246348 804439440 /nfs/dbraw/zinc/43/94/40/804439440.db2.gz SFRRGENOZYSCAX-UHFFFAOYSA-N -1 0 321.351 -0.271 20 0 DBADRM COc1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cnc1Cl ZINC000776437790 804455447 /nfs/dbraw/zinc/45/54/47/804455447.db2.gz MSOPEIMBEMZXFE-XRGYYRRGSA-N -1 0 324.742 -0.144 20 0 DBADRM COc1cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cnc1Cl ZINC000776459325 804455562 /nfs/dbraw/zinc/45/55/62/804455562.db2.gz XXJCPWRWLYNQAA-ZETCQYMHSA-N -1 0 324.742 -0.143 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])ccc1F ZINC000776443693 804455789 /nfs/dbraw/zinc/45/57/89/804455789.db2.gz IPEPBXSUNGXRSR-VIFPVBQESA-N -1 0 321.282 -0.664 20 0 DBADRM C[C@@H](CNS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776451764 804456048 /nfs/dbraw/zinc/45/60/48/804456048.db2.gz ULKSLPRLSXIQAY-VIFPVBQESA-N -1 0 308.356 -0.620 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-] ZINC000776495441 804457330 /nfs/dbraw/zinc/45/73/30/804457330.db2.gz SGFFMDNCLOAXJR-LDWIPMOCSA-N -1 0 315.303 -0.531 20 0 DBADRM CN1CC[C@H](C(=O)N2CCSC[C@@H]2c2nnn[n-]2)CC1=O ZINC000776562319 804458368 /nfs/dbraw/zinc/45/83/68/804458368.db2.gz BVNFZLLZUKTAAR-DTWKUNHWSA-N -1 0 310.383 -0.315 20 0 DBADRM COC(=O)NCCCC(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000776566043 804458525 /nfs/dbraw/zinc/45/85/25/804458525.db2.gz VKZPTQCFIKQXTN-MRVPVSSYSA-N -1 0 314.371 -0.048 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)c2cn(C)nn2)c1[O-] ZINC001283225396 804458987 /nfs/dbraw/zinc/45/89/87/804458987.db2.gz VJLQDZTXVFXXSK-UHFFFAOYSA-N -1 0 307.314 -0.898 20 0 DBADRM O=C(CNC(=O)c1cnc2ccccc2c1O)[N-]OCCO ZINC000776581102 804459586 /nfs/dbraw/zinc/45/95/86/804459586.db2.gz DDZFUGGKHMIWEW-UHFFFAOYSA-N -1 0 305.290 -0.702 20 0 DBADRM COC[C@H](NS(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000776627932 804460368 /nfs/dbraw/zinc/46/03/68/804460368.db2.gz YJTCBBKLJKTCRF-LURJTMIESA-N -1 0 311.747 -0.240 20 0 DBADRM O=C([O-])[C@@H](CC1CCOCC1)NS(=O)(=O)[C@@H]1CCOC1 ZINC000776603158 804460433 /nfs/dbraw/zinc/46/04/33/804460433.db2.gz UPSSAUROMJJLQG-GHMZBOCLSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)c1c[nH]cn1)[C@H](O)c1ccccc1 ZINC000776600878 804460450 /nfs/dbraw/zinc/46/04/50/804460450.db2.gz VMTWFYFTQQBSCE-WDEREUQCSA-N -1 0 311.319 -0.125 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-] ZINC000776626062 804460499 /nfs/dbraw/zinc/46/04/99/804460499.db2.gz KDFKBQOMTFOSSD-SSDOTTSWSA-N -1 0 301.280 -0.399 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)[C@@H]1CCOC1)[C@@H](O)c1ccccc1 ZINC000776599860 804460525 /nfs/dbraw/zinc/46/05/25/804460525.db2.gz RBSWKJLKEVCIJI-UTUOFQBUSA-N -1 0 315.347 -0.119 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](CC2CCOCC2)C(=O)[O-])cn1 ZINC000776599535 804460661 /nfs/dbraw/zinc/46/06/61/804460661.db2.gz IAGGIMCEJPXNJM-LLVKDONJSA-N -1 0 317.367 -0.032 20 0 DBADRM COCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC000776602036 804460673 /nfs/dbraw/zinc/46/06/73/804460673.db2.gz YABLPAHRCNSHDL-WDEREUQCSA-N -1 0 303.336 -0.261 20 0 DBADRM CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)CCS(C)(=O)=O ZINC000776685005 804461679 /nfs/dbraw/zinc/46/16/79/804461679.db2.gz IKVXOVWXIRJFSM-SECBINFHSA-N -1 0 315.413 -0.208 20 0 DBADRM C[C@@H](CN(C)S(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776686321 804461698 /nfs/dbraw/zinc/46/16/98/804461698.db2.gz HDWDXCUWAPBZLN-JTQLQIEISA-N -1 0 322.383 -0.277 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc2nonc21 ZINC000776700839 804461844 /nfs/dbraw/zinc/46/18/44/804461844.db2.gz MQKVWDCAHPTEKE-QMMMGPOBSA-N -1 0 315.307 -0.057 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000776689711 804461853 /nfs/dbraw/zinc/46/18/53/804461853.db2.gz FAVQKDSUOLROSQ-LLVKDONJSA-N -1 0 322.383 -0.483 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000776685543 804462046 /nfs/dbraw/zinc/46/20/46/804462046.db2.gz QFQYLHKBTYGJNH-PHDIDXHHSA-N -1 0 309.731 -0.718 20 0 DBADRM Cc1ncc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c(C)n1 ZINC000777328149 804469280 /nfs/dbraw/zinc/46/92/80/804469280.db2.gz XKUJQYBCSUXLBU-UHFFFAOYSA-N -1 0 300.340 -0.600 20 0 DBADRM O=C(Cc1[nH]nc2c1CCCC2)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000777246827 804470029 /nfs/dbraw/zinc/47/00/29/804470029.db2.gz NOPMOHLGYOGHBD-GFCCVEGCSA-N -1 0 317.353 -0.056 20 0 DBADRM NC(=O)CO[N-]C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000777823692 804476133 /nfs/dbraw/zinc/47/61/33/804476133.db2.gz NPBMCSCHZPRJML-UHFFFAOYSA-N -1 0 310.701 -0.473 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-] ZINC000777906958 804477229 /nfs/dbraw/zinc/47/72/29/804477229.db2.gz KJSFCTSBYORBEP-JTQLQIEISA-N -1 0 303.340 -0.329 20 0 DBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777908853 804477580 /nfs/dbraw/zinc/47/75/80/804477580.db2.gz PZNYWKDQRZUGFH-JTQLQIEISA-N -1 0 303.340 -0.593 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001283308819 804481702 /nfs/dbraw/zinc/48/17/02/804481702.db2.gz KPVKHGXVIRXGDQ-IUCAKERBSA-N -1 0 311.342 -0.642 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)N2CCCC2)cn1 ZINC000778615104 804485469 /nfs/dbraw/zinc/48/54/69/804485469.db2.gz HMSBRSGXTBGWNO-UHFFFAOYSA-N -1 0 300.340 -0.054 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cnc(OCC)cn1 ZINC000778633177 804485503 /nfs/dbraw/zinc/48/55/03/804485503.db2.gz USICLHGAQQMNNL-UHFFFAOYSA-N -1 0 303.340 -0.029 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)c2cnccn2)cn1 ZINC000778675998 804486716 /nfs/dbraw/zinc/48/67/16/804486716.db2.gz GTTMABJOWBKDIH-UHFFFAOYSA-N -1 0 309.307 -0.216 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)c2ccnn2C)cn1 ZINC000778725506 804487571 /nfs/dbraw/zinc/48/75/71/804487571.db2.gz JJNIAGFONYHFOA-UHFFFAOYSA-N -1 0 311.323 -0.273 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCOC2)c(C)nn1C ZINC000778846227 804489859 /nfs/dbraw/zinc/48/98/59/804489859.db2.gz ARSJKWRDSFWAJS-LBPRGKRZSA-N -1 0 317.367 -0.031 20 0 DBADRM CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC ZINC000778848652 804490067 /nfs/dbraw/zinc/49/00/67/804490067.db2.gz OYMQRBBCYKHJDW-BDAKNGLRSA-N -1 0 317.367 -0.033 20 0 DBADRM CC[C@H](OC)C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC ZINC000778848763 804490142 /nfs/dbraw/zinc/49/01/42/804490142.db2.gz NPLXHZFNDJVHNL-QMMMGPOBSA-N -1 0 305.356 -0.033 20 0 DBADRM CC/C=C(\C)C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001283355563 804490979 /nfs/dbraw/zinc/49/09/79/804490979.db2.gz LDSAWBKACQDZIH-WXLQGSQKSA-N -1 0 323.353 -0.237 20 0 DBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)[N-]N1CC(=O)N(C)C1=O ZINC000779045786 804492502 /nfs/dbraw/zinc/49/25/02/804492502.db2.gz OVXRFYHQLJGBLN-UHFFFAOYSA-N -1 0 317.309 -0.547 20 0 DBADRM CC(C)(O)CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC000779202602 804495076 /nfs/dbraw/zinc/49/50/76/804495076.db2.gz PWMASOKGOSMFGO-UHFFFAOYSA-N -1 0 305.338 -0.167 20 0 DBADRM CC(=O)[C@H]1CC(C(=O)N=c2nn[n-]n2C)=NN1c1ccccc1 ZINC000779467640 804497605 /nfs/dbraw/zinc/49/76/05/804497605.db2.gz SNCFKNSSGDSAEA-GFCCVEGCSA-N -1 0 313.321 -0.206 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-] ZINC000780287257 804513540 /nfs/dbraw/zinc/51/35/40/804513540.db2.gz NERZPOZJUQJCDU-LBPRGKRZSA-N -1 0 324.399 -0.595 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cnc(C(=O)OC)cn1 ZINC000780432036 804514644 /nfs/dbraw/zinc/51/46/44/804514644.db2.gz JVWZXEBNBJMZTD-UHFFFAOYSA-N -1 0 316.339 -0.420 20 0 DBADRM CC[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)CCO1 ZINC000780393734 804514703 /nfs/dbraw/zinc/51/47/03/804514703.db2.gz YJWCTICPVJHJCC-MNOVXSKESA-N -1 0 306.384 -0.115 20 0 DBADRM CC[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)CCO1 ZINC000780393733 804515199 /nfs/dbraw/zinc/51/51/99/804515199.db2.gz YJWCTICPVJHJCC-GHMZBOCLSA-N -1 0 306.384 -0.115 20 0 DBADRM CCN(CC(=O)[O-])C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000780391703 804515444 /nfs/dbraw/zinc/51/54/44/804515444.db2.gz AHCABXJJTHZVKP-UHFFFAOYSA-N -1 0 315.351 -0.050 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)nn1 ZINC000780623144 804517181 /nfs/dbraw/zinc/51/71/81/804517181.db2.gz FLDYIYKMLNXUHL-SECBINFHSA-N -1 0 302.356 -0.073 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)C1 ZINC000780606756 804517406 /nfs/dbraw/zinc/51/74/06/804517406.db2.gz HYHSFVRSZVHUMF-WCQYABFASA-N -1 0 318.395 -0.130 20 0 DBADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)no1 ZINC000780620466 804517544 /nfs/dbraw/zinc/51/75/44/804517544.db2.gz PTFIURFZIXTQFK-SECBINFHSA-N -1 0 304.324 -0.013 20 0 DBADRM CC[C@@H](NC(=O)NCCS(=O)(=O)NCC1CCC1)C(=O)[O-] ZINC000780567232 804517795 /nfs/dbraw/zinc/51/77/95/804517795.db2.gz CHWZKQALLITOMY-SNVBAGLBSA-N -1 0 321.399 -0.132 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)CCC1 ZINC000780606352 804517899 /nfs/dbraw/zinc/51/78/99/804517899.db2.gz BIIAGZHBRGQZLC-VIFPVBQESA-N -1 0 304.368 -0.472 20 0 DBADRM CN(CCNC(=O)NCC(=O)[O-])S(=O)(=O)c1cccs1 ZINC000780689666 804518682 /nfs/dbraw/zinc/51/86/82/804518682.db2.gz JEKVCUYRHSSMKA-UHFFFAOYSA-N -1 0 321.380 -0.248 20 0 DBADRM C[C@@H](NC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)C(=O)[O-] ZINC000780651776 804518892 /nfs/dbraw/zinc/51/88/92/804518892.db2.gz YBGNECCZHJOKKN-MRVPVSSYSA-N -1 0 319.383 -0.285 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cccnc2)on1 ZINC000781445346 804528744 /nfs/dbraw/zinc/52/87/44/804528744.db2.gz USDQCVDEOCGKCV-UHFFFAOYSA-N -1 0 311.275 -0.025 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@]1(C)CCCOC1 ZINC000781466116 804529097 /nfs/dbraw/zinc/52/90/97/804529097.db2.gz BEBPIHFKFQWPFR-LBPRGKRZSA-N -1 0 309.384 -0.088 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)o1 ZINC000781512802 804529649 /nfs/dbraw/zinc/52/96/49/804529649.db2.gz TVQPMFDSTRBKLR-ZETCQYMHSA-N -1 0 302.308 -0.383 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)on1 ZINC000781509245 804529863 /nfs/dbraw/zinc/52/98/63/804529863.db2.gz ABNZBUKCISVDRL-ZETCQYMHSA-N -1 0 318.307 -0.300 20 0 DBADRM Cc1noc(CCC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)n1 ZINC000781511815 804530020 /nfs/dbraw/zinc/53/00/20/804530020.db2.gz FPQQGHTZRTWAHC-VIFPVBQESA-N -1 0 303.340 -0.064 20 0 DBADRM COc1c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)c(C)nn1C ZINC000781515395 804531262 /nfs/dbraw/zinc/53/12/62/804531262.db2.gz ZNFKLIGSHXJKQX-VIFPVBQESA-N -1 0 317.367 -0.024 20 0 DBADRM Cn1nnc2ccc(C(=O)[N-]S(=O)(=O)c3cnnn3C)cc21 ZINC000781728699 804533538 /nfs/dbraw/zinc/53/35/38/804533538.db2.gz IYWPODBQPNPMBV-UHFFFAOYSA-N -1 0 321.322 -0.785 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000781737614 804534403 /nfs/dbraw/zinc/53/44/03/804534403.db2.gz NBICRLPRNCJABZ-UHFFFAOYSA-N -1 0 323.290 -0.219 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc2cc[nH]c2n1 ZINC000781739056 804534419 /nfs/dbraw/zinc/53/44/19/804534419.db2.gz XOWMWHVMWXIDON-UHFFFAOYSA-N -1 0 306.307 -0.190 20 0 DBADRM Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)c3cnnn3C)cn12 ZINC000781733591 804534657 /nfs/dbraw/zinc/53/46/57/804534657.db2.gz CIKPPDLORNIHBX-UHFFFAOYSA-N -1 0 321.322 -0.715 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CSCC(F)(F)F ZINC000781737745 804534704 /nfs/dbraw/zinc/53/47/04/804534704.db2.gz PKBSZZTYNUZBNW-UHFFFAOYSA-N -1 0 318.302 -0.085 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1COc2ccccc2C1 ZINC000781740544 804535743 /nfs/dbraw/zinc/53/57/43/804535743.db2.gz BMNFVDGMNFQZQO-SNVBAGLBSA-N -1 0 322.346 -0.129 20 0 DBADRM CCc1ncc(C(=O)[N-]S(=O)(=O)c2cnnn2C)s1 ZINC000781740858 804535953 /nfs/dbraw/zinc/53/59/53/804535953.db2.gz BYTIXNRAWMSYDR-UHFFFAOYSA-N -1 0 301.353 -0.047 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001324897735 807014903 /nfs/dbraw/zinc/01/49/03/807014903.db2.gz CEHVZZWZEZYEJX-WDSKDSINSA-N -1 0 322.243 -0.521 20 0 DBADRM CC(=O)c1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cc1 ZINC000782130802 804540849 /nfs/dbraw/zinc/54/08/49/804540849.db2.gz ONEUZQKFWWJVQS-UHFFFAOYSA-N -1 0 311.319 -0.024 20 0 DBADRM CC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)nc1 ZINC000782577167 804549187 /nfs/dbraw/zinc/54/91/87/804549187.db2.gz KEIKWAPGRSQTOO-UHFFFAOYSA-N -1 0 323.334 -0.108 20 0 DBADRM CN(CCCNC(=O)[C@@H]1CC12CC2)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001283670479 804550161 /nfs/dbraw/zinc/55/01/61/804550161.db2.gz OZNYWEPQNNAGBT-QMMMGPOBSA-N -1 0 321.337 -0.339 20 0 DBADRM Cn1ccc(CC(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)n1 ZINC000782591007 804550427 /nfs/dbraw/zinc/55/04/27/804550427.db2.gz UWPXOCMWBOXRPJ-UHFFFAOYSA-N -1 0 317.758 -0.145 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)c1 ZINC000782696598 804552409 /nfs/dbraw/zinc/55/24/09/804552409.db2.gz TWOUCDOZGGUDOL-UHFFFAOYSA-N -1 0 323.396 -0.611 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000783411365 804565737 /nfs/dbraw/zinc/56/57/37/804565737.db2.gz YHYSOEHXWATFLL-JTQLQIEISA-N -1 0 314.367 -0.168 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCCCn1ccnc1 ZINC000783555774 804566726 /nfs/dbraw/zinc/56/67/26/804566726.db2.gz UGMFROXKIWAEDX-UHFFFAOYSA-N -1 0 302.294 -0.099 20 0 DBADRM COC(=O)CCC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000783555957 804566891 /nfs/dbraw/zinc/56/68/91/804566891.db2.gz XAXGGYMERCBLGS-UHFFFAOYSA-N -1 0 322.277 -0.863 20 0 DBADRM CC(C)N(C)C(=O)[C@@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000783555452 804567300 /nfs/dbraw/zinc/56/73/00/804567300.db2.gz QJCIAVGPCGCCNP-SECBINFHSA-N -1 0 321.337 -0.130 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)n1 ZINC000784543167 804581998 /nfs/dbraw/zinc/58/19/98/804581998.db2.gz UDYYIKJPJOLKRD-JTQLQIEISA-N -1 0 317.367 -0.232 20 0 DBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000785088093 804591672 /nfs/dbraw/zinc/59/16/72/804591672.db2.gz RNCVCFDSWRKDBP-MRVPVSSYSA-N -1 0 317.371 -0.776 20 0 DBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000785088094 804592052 /nfs/dbraw/zinc/59/20/52/804592052.db2.gz RNCVCFDSWRKDBP-QMMMGPOBSA-N -1 0 317.371 -0.776 20 0 DBADRM CCOC(=O)c1ccccc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785385471 804597135 /nfs/dbraw/zinc/59/71/35/804597135.db2.gz OTHXFQLCQFVPRR-UHFFFAOYSA-N -1 0 309.278 -0.665 20 0 DBADRM COc1cc(Cl)ccc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785383326 804597444 /nfs/dbraw/zinc/59/74/44/804597444.db2.gz DDKGVUSWQPVFHY-UHFFFAOYSA-N -1 0 301.686 -0.180 20 0 DBADRM CCOC(=O)c1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1 ZINC000785387118 804597757 /nfs/dbraw/zinc/59/77/57/804597757.db2.gz XMFJCUITKMVKPG-UHFFFAOYSA-N -1 0 309.278 -0.665 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 ZINC000785358344 804597841 /nfs/dbraw/zinc/59/78/41/804597841.db2.gz ILBPFBGIFXKTKM-UHFFFAOYSA-N -1 0 306.282 -0.323 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000785386971 804597851 /nfs/dbraw/zinc/59/78/51/804597851.db2.gz WYDFOOGYSSNBEY-UHFFFAOYSA-N -1 0 321.211 -0.101 20 0 DBADRM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)[N-]OC)CC2 ZINC000785361702 804597858 /nfs/dbraw/zinc/59/78/58/804597858.db2.gz IEQHRMSNHCAYPP-UHFFFAOYSA-N -1 0 313.335 -0.839 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000785358922 804597869 /nfs/dbraw/zinc/59/78/69/804597869.db2.gz SCTIHMPYNFBZOG-UHFFFAOYSA-N -1 0 315.351 -0.091 20 0 DBADRM Cc1c(NC(=O)C(=O)[N-]OCC(N)=O)cnn1-c1ccccc1 ZINC000785389791 804598249 /nfs/dbraw/zinc/59/82/49/804598249.db2.gz NOABUEHRDYXKLC-UHFFFAOYSA-N -1 0 317.305 -0.348 20 0 DBADRM COC(=O)c1ccc(C)c(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC000785387333 804598451 /nfs/dbraw/zinc/59/84/51/804598451.db2.gz DHVNMBDEVRWMAN-UHFFFAOYSA-N -1 0 309.278 -0.747 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccc(OC(F)F)c1 ZINC000785390114 804598814 /nfs/dbraw/zinc/59/88/14/804598814.db2.gz XBOZWFNNIPPPFC-UHFFFAOYSA-N -1 0 303.221 -0.240 20 0 DBADRM NC(=O)[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnccn2)C1 ZINC000786957311 804626691 /nfs/dbraw/zinc/62/66/91/804626691.db2.gz JJIZQWAEPTVVPX-IUCAKERBSA-N -1 0 312.351 -0.427 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC1CCC2(CC1)OCCO2 ZINC000787430735 804633721 /nfs/dbraw/zinc/63/37/21/804633721.db2.gz ZQWCWTJECBLZLW-UHFFFAOYSA-N -1 0 302.327 -0.518 20 0 DBADRM C/C=C(\C)C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001284085358 804637298 /nfs/dbraw/zinc/63/72/98/804637298.db2.gz ILEMWRMYBWTKNC-ANIUQSACSA-N -1 0 307.310 -0.374 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])o1 ZINC000787935038 804647485 /nfs/dbraw/zinc/64/74/85/804647485.db2.gz KTULMUTXWRUGDA-SSDOTTSWSA-N -1 0 319.291 -0.223 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)[N-]OC[C@@H]1CCOC1 ZINC000788116531 804650883 /nfs/dbraw/zinc/65/08/83/804650883.db2.gz OITZYCLYFRXANF-LLVKDONJSA-N -1 0 324.399 -0.585 20 0 DBADRM CCOC(=O)NCC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000788146263 804651759 /nfs/dbraw/zinc/65/17/59/804651759.db2.gz AJKPYJOATSZTPT-ZETCQYMHSA-N -1 0 300.344 -0.438 20 0 DBADRM COCCN1C[C@@H](C(=O)NCCc2n[n-]c(=S)o2)CC1=O ZINC000788147591 804651950 /nfs/dbraw/zinc/65/19/50/804651950.db2.gz IXPYFYVJGBWARW-QMMMGPOBSA-N -1 0 314.367 -0.488 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1cccc(O)c1 ZINC000788176080 804653315 /nfs/dbraw/zinc/65/33/15/804653315.db2.gz HAVNTQMZSKZORE-UHFFFAOYSA-N -1 0 300.336 -0.483 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]OC[C@@H]1CCOC1 ZINC000788273010 804654959 /nfs/dbraw/zinc/65/49/59/804654959.db2.gz HOSUHCKBRGKRDM-MNOVXSKESA-N -1 0 306.384 -0.115 20 0 DBADRM CC(C)[C@H](C(=O)[N-]OCC(C)(C)O)N1CCCS1(=O)=O ZINC000788222720 804654981 /nfs/dbraw/zinc/65/49/81/804654981.db2.gz JPZDZCWCKMDJME-SNVBAGLBSA-N -1 0 308.400 -0.135 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)C1 ZINC000788356475 804657895 /nfs/dbraw/zinc/65/78/95/804657895.db2.gz CRNMKEPWZHIODF-UHFFFAOYSA-N -1 0 323.374 -0.112 20 0 DBADRM C[C@H]1OCCN(S(=O)(=O)c2ncn(C)c2Cl)[C@@H]1C(=O)[O-] ZINC000788453383 804661804 /nfs/dbraw/zinc/66/18/04/804661804.db2.gz DPFXRBPPOLCFTD-RQJHMYQMSA-N -1 0 323.758 -0.064 20 0 DBADRM O=C([O-])/C=C\CNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000788448105 804661891 /nfs/dbraw/zinc/66/18/91/804661891.db2.gz VZNGPBHRONHKDZ-UTCJRWHESA-N -1 0 316.379 -0.052 20 0 DBADRM O=C1OCc2c1cccc2S(=O)(=O)[N-]N1CCCNC1=O ZINC000788911363 804667302 /nfs/dbraw/zinc/66/73/02/804667302.db2.gz AODVJKYJRQTELG-UHFFFAOYSA-N -1 0 311.319 -0.034 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCCc1cn2c(n1)CCCC2 ZINC000788846470 804667457 /nfs/dbraw/zinc/66/74/57/804667457.db2.gz IRYOGVFCDRLTJA-UHFFFAOYSA-N -1 0 324.381 -0.038 20 0 DBADRM Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000789598427 804674932 /nfs/dbraw/zinc/67/49/32/804674932.db2.gz ZZZCLBGWETVGIL-UHFFFAOYSA-N -1 0 317.305 -0.348 20 0 DBADRM Cn1nnc2ccc(C(=O)[N-]S(=O)(=O)c3cc[nH]n3)cc21 ZINC000789791038 804676738 /nfs/dbraw/zinc/67/67/38/804676738.db2.gz KCGCBIVOTWGSHH-UHFFFAOYSA-N -1 0 306.307 -0.190 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(OCCOC)nc1 ZINC000789828075 804677614 /nfs/dbraw/zinc/67/76/14/804677614.db2.gz VXBCVMVYJOCROW-UHFFFAOYSA-N -1 0 313.310 -0.261 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000789828055 804677937 /nfs/dbraw/zinc/67/79/37/804677937.db2.gz VMKKUQUKAGJOSG-UHFFFAOYSA-N -1 0 305.294 -0.100 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCn1ncnn1 ZINC000789982076 804681153 /nfs/dbraw/zinc/68/11/53/804681153.db2.gz GIEKGQGSYXJZCK-ZETCQYMHSA-N -1 0 308.264 -0.508 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@]1(O)CCOC1 ZINC000790002505 804681591 /nfs/dbraw/zinc/68/15/91/804681591.db2.gz KZFCCGQNGWLAPG-GZMMTYOYSA-N -1 0 312.288 -0.043 20 0 DBADRM CS(=O)(=O)CC[C@H](C(=O)[N-]OCC(N)=O)c1ccccc1 ZINC000790009883 804682166 /nfs/dbraw/zinc/68/21/66/804682166.db2.gz BEEMALAGKMVDHD-NSHDSACASA-N -1 0 314.363 -0.262 20 0 DBADRM O=C([O-])[C@@H](O)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000790077220 804683879 /nfs/dbraw/zinc/68/38/79/804683879.db2.gz VPOPEPVYFRVDQJ-QWRGUYRKSA-N -1 0 306.384 -0.125 20 0 DBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)s1 ZINC000790799220 804695202 /nfs/dbraw/zinc/69/52/02/804695202.db2.gz JUOPKSUZXNFIQL-UHFFFAOYSA-N -1 0 319.364 -0.885 20 0 DBADRM CS(=O)(=O)C[C@H](NC(=O)c1cc(=O)[nH][n-]1)c1ccccc1 ZINC000791377948 804702970 /nfs/dbraw/zinc/70/29/70/804702970.db2.gz GDEHRPMMFHJEIC-NSHDSACASA-N -1 0 309.347 -0.236 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cncc(OC)n1 ZINC000791808697 804708859 /nfs/dbraw/zinc/70/88/59/804708859.db2.gz GTAUWMSMHMFSTR-UHFFFAOYSA-N -1 0 317.323 -0.502 20 0 DBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)c1ncccc1F ZINC000791939881 804712220 /nfs/dbraw/zinc/71/22/20/804712220.db2.gz NHMDTRRORUYHMY-UHFFFAOYSA-N -1 0 303.315 -0.642 20 0 DBADRM CC(C)NC(=O)NC1(C(=O)[N-]OCC(N)=O)CCCCC1 ZINC000792300619 804716007 /nfs/dbraw/zinc/71/60/07/804716007.db2.gz TVZYWBQTZBNEHM-UHFFFAOYSA-N -1 0 300.359 -0.070 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)CC1OCCCO1 ZINC000793180239 804725750 /nfs/dbraw/zinc/72/57/50/804725750.db2.gz PZVKXFJVKAPGAB-UHFFFAOYSA-N -1 0 311.356 -0.752 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000793195265 804725850 /nfs/dbraw/zinc/72/58/50/804725850.db2.gz BBUDFGLLUQTZKC-UHFFFAOYSA-N -1 0 309.307 -0.983 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C1(OC)CCOCC1 ZINC000793173107 804726227 /nfs/dbraw/zinc/72/62/27/804726227.db2.gz ITIYCXJIABWBPJ-UHFFFAOYSA-N -1 0 310.372 -0.879 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)n1 ZINC000793220002 804726980 /nfs/dbraw/zinc/72/69/80/804726980.db2.gz BMHMXZDVNZMXHH-RNFRBKRXSA-N -1 0 304.328 -0.928 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1csc(C(F)(F)F)n1 ZINC000793196933 804727388 /nfs/dbraw/zinc/72/73/88/804727388.db2.gz NWRMZIXSIOVTNJ-UHFFFAOYSA-N -1 0 317.270 -0.293 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)c(C)c1 ZINC000793352519 804728605 /nfs/dbraw/zinc/72/86/05/804728605.db2.gz OEAQOHLKHAJDCX-UHFFFAOYSA-N -1 0 321.376 -0.147 20 0 DBADRM CN(CCNC(=O)C1(C)CC=CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001284582239 804742860 /nfs/dbraw/zinc/74/28/60/804742860.db2.gz RKQLWXAJCYHWRF-UHFFFAOYSA-N -1 0 321.337 -0.173 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]OC/C=C\Cl ZINC000794287918 804747293 /nfs/dbraw/zinc/74/72/93/804747293.db2.gz AFBWCJGSBJGXKF-TZGMSPROSA-N -1 0 303.746 -0.086 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000794762495 804750859 /nfs/dbraw/zinc/75/08/59/804750859.db2.gz NLJAOOQDJYFIMA-SNVBAGLBSA-N -1 0 317.367 -0.113 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000794762473 804751160 /nfs/dbraw/zinc/75/11/60/804751160.db2.gz NLJAOOQDJYFIMA-JTQLQIEISA-N -1 0 317.367 -0.113 20 0 DBADRM NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1cccc2c1COC2=O ZINC000795345246 804758271 /nfs/dbraw/zinc/75/82/71/804758271.db2.gz NNLGNLBNDIWHQJ-UHFFFAOYSA-N -1 0 322.302 -0.020 20 0 DBADRM CCS(=O)(=O)CCS(=O)(=O)c1ncc(C(=O)OC)[n-]1 ZINC000795463144 804760696 /nfs/dbraw/zinc/76/06/96/804760696.db2.gz SZJUKOGKBDJDMP-UHFFFAOYSA-N -1 0 310.353 -0.595 20 0 DBADRM Cc1nonc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000795630078 804761780 /nfs/dbraw/zinc/76/17/80/804761780.db2.gz PHJJJMXIOUVWGI-UHFFFAOYSA-N -1 0 318.336 -0.023 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)[nH]1 ZINC000796782615 804773807 /nfs/dbraw/zinc/77/38/07/804773807.db2.gz GYRKKFAGLSKFAC-UHFFFAOYSA-N -1 0 301.324 -0.128 20 0 DBADRM C[C@@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796873920 804774906 /nfs/dbraw/zinc/77/49/06/804774906.db2.gz UOJKERPKGUERFO-MRVPVSSYSA-N -1 0 314.367 -0.091 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)[C@@H]1CCCCS1(=O)=O ZINC000796867987 804775087 /nfs/dbraw/zinc/77/50/87/804775087.db2.gz FHIUSZHSINKXFT-ZETCQYMHSA-N -1 0 307.353 -0.818 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)[nH]1 ZINC000796882177 804775183 /nfs/dbraw/zinc/77/51/83/804775183.db2.gz LEZPJXBNKRAROY-SSDOTTSWSA-N -1 0 304.324 -0.104 20 0 DBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cn1 ZINC000796883953 804775548 /nfs/dbraw/zinc/77/55/48/804775548.db2.gz WXDFDWKOVZUATI-UHFFFAOYSA-N -1 0 309.307 -0.717 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CCc1cncnc1 ZINC000796884604 804775615 /nfs/dbraw/zinc/77/56/15/804775615.db2.gz YJZVEMUYZYMWTD-UHFFFAOYSA-N -1 0 315.351 -0.192 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)CC2OCCO2)c1Cl ZINC000796916283 804776024 /nfs/dbraw/zinc/77/60/24/804776024.db2.gz HLJYUZXQIMMQDC-UHFFFAOYSA-N -1 0 309.731 -0.359 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnccn2)[nH]1 ZINC000796970799 804776368 /nfs/dbraw/zinc/77/63/68/804776368.db2.gz NWPJZHUZCUWMCI-UHFFFAOYSA-N -1 0 310.291 -0.290 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)COCc1nnc(C)s1 ZINC000797007512 804776475 /nfs/dbraw/zinc/77/64/75/804776475.db2.gz OMTKAJXXINAHIF-UHFFFAOYSA-N -1 0 323.396 -0.154 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)Cc1cnn(C)c1C ZINC000796980255 804776728 /nfs/dbraw/zinc/77/67/28/804776728.db2.gz DRGUYYPKFGHIBN-UHFFFAOYSA-N -1 0 319.383 -0.620 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCNC(=O)NC)nc1C ZINC000797011573 804776828 /nfs/dbraw/zinc/77/68/28/804776828.db2.gz DGOHTAWQJAZZFH-UHFFFAOYSA-N -1 0 317.371 -0.665 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1C ZINC000796963051 804776881 /nfs/dbraw/zinc/77/68/81/804776881.db2.gz JFABAGYILUNCTJ-UHFFFAOYSA-N -1 0 304.372 -0.790 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1C ZINC000797059857 804777205 /nfs/dbraw/zinc/77/72/05/804777205.db2.gz CHHWRLQODMKPOC-MRVPVSSYSA-N -1 0 303.340 -0.721 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCc1ccn(C)n1 ZINC000797063529 804778124 /nfs/dbraw/zinc/77/81/24/804778124.db2.gz QITABNXUUDJVIJ-QMMMGPOBSA-N -1 0 303.340 -0.640 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc2nccnc2c1 ZINC000797280857 804778910 /nfs/dbraw/zinc/77/89/10/804778910.db2.gz HVBWMKLNHQZTJH-ZETCQYMHSA-N -1 0 324.318 -0.354 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000797273047 804779100 /nfs/dbraw/zinc/77/91/00/804779100.db2.gz BVPSTASKBWHJMY-WDSKDSINSA-N -1 0 302.274 -0.104 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)C1=O ZINC000797255593 804779104 /nfs/dbraw/zinc/77/91/04/804779104.db2.gz UNVNUZYDGFRMDH-NSHDSACASA-N -1 0 324.358 -0.095 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C2CC2)n(C)n1 ZINC000797283693 804779123 /nfs/dbraw/zinc/77/91/23/804779123.db2.gz QBZJLGSHROBZLI-ZETCQYMHSA-N -1 0 315.351 -0.081 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1OC ZINC000797282748 804779157 /nfs/dbraw/zinc/77/91/57/804779157.db2.gz HWZXIGSODMZZJW-SSDOTTSWSA-N -1 0 319.339 -0.642 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)/C=C\C1CCOCC1 ZINC000797294754 804779730 /nfs/dbraw/zinc/77/97/30/804779730.db2.gz RTKPBQLMCVVHAL-TYRPZCRBSA-N -1 0 305.352 -0.023 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1C1CC1 ZINC000797288631 804779794 /nfs/dbraw/zinc/77/97/94/804779794.db2.gz YBOZVFZXOROIGS-SSDOTTSWSA-N -1 0 315.351 -0.081 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1 ZINC000797286253 804779950 /nfs/dbraw/zinc/77/99/50/804779950.db2.gz KBQDKDUHTOHQJA-ZETCQYMHSA-N -1 0 314.319 -0.593 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000797286471 804780008 /nfs/dbraw/zinc/78/00/08/804780008.db2.gz WWGAVDVQNBEDKN-XHNCKOQMSA-N -1 0 320.367 -0.714 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)c1cnn(C)c1 ZINC000797300636 804780638 /nfs/dbraw/zinc/78/06/38/804780638.db2.gz NBFOXKZOORXFQG-MRVPVSSYSA-N -1 0 317.367 -0.295 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)COc1cc(C)on1 ZINC000797297623 804780713 /nfs/dbraw/zinc/78/07/13/804780713.db2.gz FESKLBNJXIRQRT-ZETCQYMHSA-N -1 0 306.296 -0.631 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](OC)c1cnn(C)c1 ZINC000797300319 804780810 /nfs/dbraw/zinc/78/08/10/804780810.db2.gz MKGASMQCFPSDKU-VXNVDRBHSA-N -1 0 319.339 -0.885 20 0 DBADRM CCc1c(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)cnn1C ZINC000797305053 804780827 /nfs/dbraw/zinc/78/08/27/804780827.db2.gz PLJQTXWLWFHZOE-SSDOTTSWSA-N -1 0 303.340 -0.396 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CSCCS1 ZINC000798199758 804787382 /nfs/dbraw/zinc/78/73/82/804787382.db2.gz JZKVZZAVIFNHRL-NKWVEPMBSA-N -1 0 313.422 -0.158 20 0 DBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)N2CCCCC2)CCC(=O)NC1 ZINC000798819499 804801686 /nfs/dbraw/zinc/80/16/86/804801686.db2.gz YPXYMEBWYNDWFG-GFCCVEGCSA-N -1 0 303.384 -0.250 20 0 DBADRM CC(C)=C(C)CC(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001284932659 804802249 /nfs/dbraw/zinc/80/22/49/804802249.db2.gz PQHLFSNFONEFNO-UHFFFAOYSA-N -1 0 321.337 -0.030 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H](OC)c1cnn(C)c1 ZINC000798827825 804802685 /nfs/dbraw/zinc/80/26/85/804802685.db2.gz CFTSUEUNTLHKEB-SNVBAGLBSA-N -1 0 305.356 -0.410 20 0 DBADRM COc1ccccc1CO[N-]C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000799091732 804807004 /nfs/dbraw/zinc/80/70/04/804807004.db2.gz QUKFZTVBIWVEDL-UHFFFAOYSA-N -1 0 321.289 -0.336 20 0 DBADRM C/C=C(/C)C(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001284959928 804810401 /nfs/dbraw/zinc/81/04/01/804810401.db2.gz NBIJXIYDJJMTMU-BAQGIRSFSA-N -1 0 309.326 -0.770 20 0 DBADRM CC/C(C)=C\C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001284964047 804812234 /nfs/dbraw/zinc/81/22/34/804812234.db2.gz JZFRSOSEKIXCPZ-YWEYNIOJSA-N -1 0 321.337 -0.173 20 0 DBADRM NC(=O)C1(NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000799688213 804814954 /nfs/dbraw/zinc/81/49/54/804814954.db2.gz FYINEGKGAUWJES-UHFFFAOYSA-N -1 0 318.358 -0.181 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1c[nH]c2ncccc12 ZINC000800549011 804825822 /nfs/dbraw/zinc/82/58/22/804825822.db2.gz DORNBMQMEIQLTL-UHFFFAOYSA-N -1 0 310.335 -0.241 20 0 DBADRM CC(=O)c1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)o1 ZINC000800550100 804825878 /nfs/dbraw/zinc/82/58/78/804825878.db2.gz QVCCMOYJQKDWSN-UHFFFAOYSA-N -1 0 302.308 -0.322 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc2nccnc2c1 ZINC000800552359 804826353 /nfs/dbraw/zinc/82/63/53/804826353.db2.gz VAXSXGTWXDZMHO-UHFFFAOYSA-N -1 0 322.346 -0.175 20 0 DBADRM CCOc1cnc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC000800551629 804826491 /nfs/dbraw/zinc/82/64/91/804826491.db2.gz NQEDBSSLGPYXLE-UHFFFAOYSA-N -1 0 316.339 -0.929 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccnc(C2CC2)n1 ZINC000800551640 804826637 /nfs/dbraw/zinc/82/66/37/804826637.db2.gz OFRJTSHDQGQMGF-UHFFFAOYSA-N -1 0 312.351 -0.450 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccc(O)cc1 ZINC000800551912 804826681 /nfs/dbraw/zinc/82/66/81/804826681.db2.gz WHRXAIHDMMHLMD-UHFFFAOYSA-N -1 0 300.336 -0.483 20 0 DBADRM O=C(NCCS(=O)(=O)CCc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC000800707058 804828558 /nfs/dbraw/zinc/82/85/58/804828558.db2.gz LNNWGDJXQNKPEF-UHFFFAOYSA-N -1 0 324.362 -0.102 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc2c1OCO2 ZINC000800918507 804829200 /nfs/dbraw/zinc/82/92/00/804829200.db2.gz NJCVAUAMQZEXJT-SFYZADRCSA-N -1 0 315.303 -0.376 20 0 DBADRM Cn1nnc2c1nccc2C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000802108899 804842369 /nfs/dbraw/zinc/84/23/69/804842369.db2.gz BOPGZJUEYODMDQ-UHFFFAOYSA-N -1 0 319.306 -0.728 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCn1ccnn1 ZINC000802155119 804842932 /nfs/dbraw/zinc/84/29/32/804842932.db2.gz MMNXRTHMGGPDSW-BDAKNGLRSA-N -1 0 318.355 -0.688 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnnn1C ZINC000802162984 804843633 /nfs/dbraw/zinc/84/36/33/804843633.db2.gz FHTACBLLBQZAFV-RQJHMYQMSA-N -1 0 304.328 -0.928 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)nn1C ZINC000802166223 804843698 /nfs/dbraw/zinc/84/36/98/804843698.db2.gz YUAYLXDIMLFQPE-RKDXNWHRSA-N -1 0 317.367 -0.014 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1nnn(C)c1C ZINC000802167728 804843730 /nfs/dbraw/zinc/84/37/30/804843730.db2.gz PQWQNDNFPACMAF-XPUUQOCRSA-N -1 0 318.355 -0.619 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C ZINC000802165020 804843925 /nfs/dbraw/zinc/84/39/25/804843925.db2.gz CDEXCSQXEDCZRB-VGMNWLOBSA-N -1 0 320.367 -0.749 20 0 DBADRM CN(C)c1cccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)c1 ZINC000802210609 804844630 /nfs/dbraw/zinc/84/46/30/804844630.db2.gz KPDRLAXJTSVTPJ-UHFFFAOYSA-N -1 0 309.351 0.000 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000802797597 804847894 /nfs/dbraw/zinc/84/78/94/804847894.db2.gz HGMHZHPMRAKIAP-XVKPBYJWSA-N -1 0 302.356 -0.235 20 0 DBADRM CCOCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)ccc1OC ZINC000802889010 804848624 /nfs/dbraw/zinc/84/86/24/804848624.db2.gz YWKPZUWMOWRDIV-UHFFFAOYSA-N -1 0 316.335 -0.365 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803003002 804848912 /nfs/dbraw/zinc/84/89/12/804848912.db2.gz QPRRZQFCEZANAP-KXUCPTDWSA-N -1 0 305.352 -0.332 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)[C@H]1COCCO1 ZINC000803026948 804849102 /nfs/dbraw/zinc/84/91/02/804849102.db2.gz MMIPREJHRZSMIM-SECBINFHSA-N -1 0 320.392 -0.145 20 0 DBADRM Cn1nncc1C(=O)COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000803471163 804854396 /nfs/dbraw/zinc/85/43/96/804854396.db2.gz RNATXSRMPPYZEE-UHFFFAOYSA-N -1 0 322.243 -0.002 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCc1ccc(NC(C)=O)cc1 ZINC000803556259 804855869 /nfs/dbraw/zinc/85/58/69/804855869.db2.gz AJQALDJCHAHNIP-UHFFFAOYSA-N -1 0 323.349 -0.002 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@H](C)CN1CCOCC1 ZINC000804024925 804861812 /nfs/dbraw/zinc/86/18/12/804861812.db2.gz ZSFLPCUUZSRNOV-LBPRGKRZSA-N -1 0 317.386 -0.845 20 0 DBADRM O=C(N[C@H](CO)c1nc(-c2ccccc2)no1)c1cc(=O)[nH][n-]1 ZINC000804122127 804866326 /nfs/dbraw/zinc/86/63/26/804866326.db2.gz XIPBZVPRYYCTRN-SNVBAGLBSA-N -1 0 315.289 -0.238 20 0 DBADRM O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(=O)[nH][n-]1 ZINC000804388331 804869408 /nfs/dbraw/zinc/86/94/08/804869408.db2.gz ULRCLJFHYRXYMV-JTQLQIEISA-N -1 0 307.354 -0.341 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(=O)[nH][n-]1 ZINC000804501623 804871652 /nfs/dbraw/zinc/87/16/52/804871652.db2.gz YCMYJQKVGJWKSH-RKDXNWHRSA-N -1 0 316.383 -0.914 20 0 DBADRM COc1ccccc1CO[N-]C(=O)C(=O)NCC[S@@](C)=O ZINC000805004061 804881270 /nfs/dbraw/zinc/88/12/70/804881270.db2.gz KDELGBAVSMPCMK-OAQYLSRUSA-N -1 0 314.363 -0.262 20 0 DBADRM COCCCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000805045592 804883050 /nfs/dbraw/zinc/88/30/50/804883050.db2.gz RPNSRWXHUKCCEC-VIFPVBQESA-N -1 0 320.371 -0.829 20 0 DBADRM Cn1cnc2c1nccc2C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000805895188 804905153 /nfs/dbraw/zinc/90/51/53/804905153.db2.gz INMZKUVWAHECGF-UHFFFAOYSA-N -1 0 318.318 -0.123 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000805923900 804905282 /nfs/dbraw/zinc/90/52/82/804905282.db2.gz ADCKIXYCHALWPM-UHFFFAOYSA-N -1 0 323.290 -0.219 20 0 DBADRM O=C(COCc1ccccn1)[N-]S(=O)(=O)N1CCOCC1 ZINC000805887673 804905332 /nfs/dbraw/zinc/90/53/32/804905332.db2.gz FLPXTAGSOBUIPF-UHFFFAOYSA-N -1 0 315.351 -0.709 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000806031302 804909300 /nfs/dbraw/zinc/90/93/00/804909300.db2.gz CWKFZVRWUOKGSR-SECBINFHSA-N -1 0 324.424 -0.201 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCC(=O)Nc1ccccc1 ZINC000806250811 804912918 /nfs/dbraw/zinc/91/29/18/804912918.db2.gz FCBFDRZHOALPRJ-UHFFFAOYSA-N -1 0 309.322 -0.174 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000806688781 804921264 /nfs/dbraw/zinc/92/12/64/804921264.db2.gz YNTRGFPVLVEBOO-LLVKDONJSA-N -1 0 316.354 -0.127 20 0 DBADRM CC1(CC(=O)NCC=CCNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001285595535 804923525 /nfs/dbraw/zinc/92/35/25/804923525.db2.gz OAHWNJJOIMWZKN-IHWYPQMZSA-N -1 0 321.337 -0.125 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C[C@@H]1C=CCC1 ZINC001285622245 804929454 /nfs/dbraw/zinc/92/94/54/804929454.db2.gz CAHWTFHRPYPBNP-RKDXNWHRSA-N -1 0 321.337 -0.126 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC=CCC1 ZINC001285705643 804948457 /nfs/dbraw/zinc/94/84/57/804948457.db2.gz GREVJWWCOQXAMY-DTWKUNHWSA-N -1 0 321.337 -0.126 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001285719975 804952285 /nfs/dbraw/zinc/95/22/85/804952285.db2.gz KVDSIXXVUNMQCQ-RDOCRHDPSA-N -1 0 308.338 -0.313 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000808279789 804955420 /nfs/dbraw/zinc/95/54/20/804955420.db2.gz VYTWFRVGYQUCEP-UWVGGRQHSA-N -1 0 306.384 -0.293 20 0 DBADRM CCn1cnc(S(=O)(=O)[N-]N2C(=O)N[C@@](C)(CC)C2=O)c1 ZINC000808309442 804956812 /nfs/dbraw/zinc/95/68/12/804956812.db2.gz DGQBVJONSHULGK-NSHDSACASA-N -1 0 315.355 -0.183 20 0 DBADRM Cn1nncc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000808565030 804961686 /nfs/dbraw/zinc/96/16/86/804961686.db2.gz QONACUPLHLPNDU-UHFFFAOYSA-N -1 0 309.307 -0.053 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)C(=O)[N-]OCCOCC ZINC000808793385 804965609 /nfs/dbraw/zinc/96/56/09/804965609.db2.gz DKLVZXWNCYOJLX-UHFFFAOYSA-N -1 0 303.359 -0.651 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)[N-]S(=O)(=O)N1CCCCC1 ZINC000808980605 804966373 /nfs/dbraw/zinc/96/63/73/804966373.db2.gz IIYKYCGISJWKNZ-JTQLQIEISA-N -1 0 303.384 -0.108 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)[N-]S(=O)(=O)N1CCCCC1 ZINC000808980606 804966681 /nfs/dbraw/zinc/96/66/81/804966681.db2.gz IIYKYCGISJWKNZ-SNVBAGLBSA-N -1 0 303.384 -0.108 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CCOc2ccccc2)nn1 ZINC000808987493 804967654 /nfs/dbraw/zinc/96/76/54/804967654.db2.gz CRVYTLVKJPBNPE-UHFFFAOYSA-N -1 0 310.335 -0.046 20 0 DBADRM CC(C)(C)c1ncc(C(=O)[N-]S(=O)(=O)CC(N)=O)cn1 ZINC000808998284 804967665 /nfs/dbraw/zinc/96/76/65/804967665.db2.gz CVIVIRDRKHXUEZ-UHFFFAOYSA-N -1 0 300.340 -0.681 20 0 DBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)nn2)cn1 ZINC000808998194 804967720 /nfs/dbraw/zinc/96/77/20/804967720.db2.gz ZLLGZNBFHJJJBM-UHFFFAOYSA-N -1 0 311.323 -0.273 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cnn(CCF)c1 ZINC000808987752 804967724 /nfs/dbraw/zinc/96/77/24/804967724.db2.gz FVJATNLPBFNONP-UHFFFAOYSA-N -1 0 306.319 -0.841 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nn1 ZINC000809000583 804967753 /nfs/dbraw/zinc/96/77/53/804967753.db2.gz RMSYROZFGLERSR-RNFRBKRXSA-N -1 0 304.328 -0.928 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nn1 ZINC000809000582 804967833 /nfs/dbraw/zinc/96/78/33/804967833.db2.gz RMSYROZFGLERSR-NKWVEPMBSA-N -1 0 304.328 -0.928 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000809033160 804968498 /nfs/dbraw/zinc/96/84/98/804968498.db2.gz ZKEXUCQVRDUINN-MRVPVSSYSA-N -1 0 302.356 -0.552 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cnn2cccnc12 ZINC000809031120 804968787 /nfs/dbraw/zinc/96/87/87/804968787.db2.gz VKHJIZKRDFEUBE-UHFFFAOYSA-N -1 0 320.334 -0.110 20 0 DBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000809031207 804969087 /nfs/dbraw/zinc/96/90/87/804969087.db2.gz YIHQIDQUVVJGJM-ZETCQYMHSA-N -1 0 303.340 -0.267 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCC[C@H]1C(=O)NC ZINC000809239611 804970962 /nfs/dbraw/zinc/97/09/62/804970962.db2.gz NUULNMRCCAYATO-NXEZZACHSA-N -1 0 301.343 -0.898 20 0 DBADRM CCc1nn(C)c(CC)c1CNC(=O)C(=O)[N-]OCCOC ZINC000809443872 804977098 /nfs/dbraw/zinc/97/70/98/804977098.db2.gz KGCACPAUEZBXMP-UHFFFAOYSA-N -1 0 312.370 -0.145 20 0 DBADRM CCc1nn(C)c(OC)c1CNC(=O)C(=O)[N-]OCCOC ZINC000809658953 804979893 /nfs/dbraw/zinc/97/98/93/804979893.db2.gz BQBDEURDLGHDQD-UHFFFAOYSA-N -1 0 314.342 -0.699 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2c(C)onc2N)C1=O ZINC000809839732 804983177 /nfs/dbraw/zinc/98/31/77/804983177.db2.gz KPPHKWZQILTDEU-SNVBAGLBSA-N -1 0 317.327 -0.521 20 0 DBADRM O=c1nc(CCNS(=O)(=O)c2cccc3nonc32)[n-]o1 ZINC000810076969 804988995 /nfs/dbraw/zinc/98/89/95/804988995.db2.gz QUYXRULYJXAOSS-UHFFFAOYSA-N -1 0 311.279 -0.580 20 0 DBADRM COCCO[N-]C(=O)CNS(=O)(=O)c1ccccc1F ZINC000810479108 804995292 /nfs/dbraw/zinc/99/52/92/804995292.db2.gz HWMMXHZJDUDOFX-UHFFFAOYSA-N -1 0 306.315 -0.202 20 0 DBADRM Cn1cnc(C(=O)OCCOCC[N-]C(=O)C(F)(F)F)n1 ZINC000810661582 804996516 /nfs/dbraw/zinc/99/65/16/804996516.db2.gz YTVKVBXHHUFRAQ-UHFFFAOYSA-N -1 0 310.232 -0.333 20 0 DBADRM COCC1(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)CCOCC1 ZINC000810585438 804997094 /nfs/dbraw/zinc/99/70/94/804997094.db2.gz UQLXRGYZAOOPEE-JTQLQIEISA-N -1 0 307.368 -0.336 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1C1CC1 ZINC000810625560 804997202 /nfs/dbraw/zinc/99/72/02/804997202.db2.gz LDNVXFPLOQCGGO-UHFFFAOYSA-N -1 0 316.383 -0.150 20 0 DBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ncn(C)n2)cn1 ZINC000810664624 804997285 /nfs/dbraw/zinc/99/72/85/804997285.db2.gz HHJYONFUFQQPNM-UHFFFAOYSA-N -1 0 311.323 -0.273 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccnc2ccncc21 ZINC000810704703 804998309 /nfs/dbraw/zinc/99/83/09/804998309.db2.gz LLOQZKAURWYRSA-UHFFFAOYSA-N -1 0 318.318 -0.123 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1 ZINC000810832328 805000067 /nfs/dbraw/zinc/00/00/67/805000067.db2.gz ZXAWNFXUSUYSDD-UHFFFAOYSA-N -1 0 324.318 -0.217 20 0 DBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)c2cccc3nsnc32)n1 ZINC000810825864 805000594 /nfs/dbraw/zinc/00/05/94/805000594.db2.gz OLQGLMPRHACOKR-UHFFFAOYSA-N -1 0 324.347 -0.062 20 0 DBADRM Cn1nnc(Br)c1C(=O)[N-]N1CCCNC1=O ZINC000810942195 805001872 /nfs/dbraw/zinc/00/18/72/805001872.db2.gz YYORWKFIXDAAHK-UHFFFAOYSA-N -1 0 303.120 -0.362 20 0 DBADRM NC(=O)CO[N-]C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000810871767 805002203 /nfs/dbraw/zinc/00/22/03/805002203.db2.gz CCNNKGWFKLVQJI-UHFFFAOYSA-N -1 0 321.742 -0.849 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)Cc1ccn(C)n1 ZINC000811136256 805004627 /nfs/dbraw/zinc/00/46/27/805004627.db2.gz DSDJSYLQZIRDRK-UHFFFAOYSA-N -1 0 317.367 -0.392 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@H](C)NC(C)=O ZINC000811144536 805005317 /nfs/dbraw/zinc/00/53/17/805005317.db2.gz WDXWXDGPCQKAND-ZETCQYMHSA-N -1 0 308.356 -0.844 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@]2(C)CCC(=O)NC2)CC1 ZINC000811158003 805005661 /nfs/dbraw/zinc/00/56/61/805005661.db2.gz ZIDDCHIOPRVGMN-LLVKDONJSA-N -1 0 304.368 -0.472 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)CCN2C(=O)CCC2=O)CC1 ZINC000811162005 805005991 /nfs/dbraw/zinc/00/59/91/805005991.db2.gz ZTIKCGCKAOBVPJ-UHFFFAOYSA-N -1 0 318.351 -0.850 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)COC2CCOCC2)CC1 ZINC000811158895 805006420 /nfs/dbraw/zinc/00/64/20/805006420.db2.gz AIIFMVGXNZBKCT-UHFFFAOYSA-N -1 0 307.368 -0.193 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]OCCCC(=O)OC ZINC000811558725 805011039 /nfs/dbraw/zinc/01/10/39/805011039.db2.gz QJJXSSUXANLYEL-UHFFFAOYSA-N -1 0 310.372 -0.341 20 0 DBADRM CCOC[C@H](NS(=O)(=O)c1cnc(Cl)n1C)C(=O)[O-] ZINC000811673061 805012662 /nfs/dbraw/zinc/01/26/62/805012662.db2.gz BYAKSKSCWYRLFJ-LURJTMIESA-N -1 0 311.747 -0.159 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[N-]OC/C=C/Cl ZINC000812408649 805018203 /nfs/dbraw/zinc/01/82/03/805018203.db2.gz RMGSMQGCDPHODD-RTMURIBGSA-N -1 0 322.774 -0.113 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[N-]OC/C=C\Cl ZINC000812408651 805018621 /nfs/dbraw/zinc/01/86/21/805018621.db2.gz RMGSMQGCDPHODD-VEMNSZJBSA-N -1 0 322.774 -0.113 20 0 DBADRM O=C(Nc1cccc(CN2CCNC(=O)C2)c1)c1cc(=O)[nH][n-]1 ZINC000812757860 805020266 /nfs/dbraw/zinc/02/02/66/805020266.db2.gz WSUOLIGRDTWHMM-UHFFFAOYSA-N -1 0 315.333 -0.567 20 0 DBADRM CC(C)OCCO[N-]C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000812803732 805021964 /nfs/dbraw/zinc/02/19/64/805021964.db2.gz UDOIKOIVYBPEDI-UHFFFAOYSA-N -1 0 320.371 -0.829 20 0 DBADRM CCN1CCN(CC(=O)[N-]OCCOC(C)C)C(=O)C1=O ZINC000812803102 805022303 /nfs/dbraw/zinc/02/23/03/805022303.db2.gz SIIHQQCOODUMIF-UHFFFAOYSA-N -1 0 301.343 -0.850 20 0 DBADRM CC(C)(C)n1cnc(C(=O)[N-]S(=O)(=O)N2CCOCC2)n1 ZINC000813073149 805025014 /nfs/dbraw/zinc/02/50/14/805025014.db2.gz OKKXFSXMQLYANE-UHFFFAOYSA-N -1 0 317.371 -0.660 20 0 DBADRM CCCCOCC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813946021 805035886 /nfs/dbraw/zinc/03/58/86/805035886.db2.gz QYSCAVOYVOTPRT-UHFFFAOYSA-N -1 0 321.399 -0.672 20 0 DBADRM CCC/C=C/C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813945327 805036213 /nfs/dbraw/zinc/03/62/13/805036213.db2.gz GPTNTWDYLAOYFO-AATRIKPKSA-N -1 0 303.384 -0.132 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C[C@H]2CCCO2)CC1 ZINC000813950175 805036596 /nfs/dbraw/zinc/03/65/96/805036596.db2.gz LAHWBJIFDHBHDC-LLVKDONJSA-N -1 0 319.383 -0.919 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccn(C)c2)CC1 ZINC000813948160 805037116 /nfs/dbraw/zinc/03/71/16/805037116.db2.gz FLUGGJZSJPQZAU-UHFFFAOYSA-N -1 0 314.367 -0.836 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CC2)CC1 ZINC000813948920 805037171 /nfs/dbraw/zinc/03/71/71/805037171.db2.gz MTNOZHOWOBTQSU-SNVBAGLBSA-N -1 0 317.411 -0.052 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)Cn2ccc(C)cc2=O)cnn1C ZINC000813955039 805037845 /nfs/dbraw/zinc/03/78/45/805037845.db2.gz YBDOKECWPXZVSB-UHFFFAOYSA-N -1 0 324.362 -0.296 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCO2 ZINC000813987721 805038275 /nfs/dbraw/zinc/03/82/75/805038275.db2.gz NGOFRJSCSUAOKR-UHFFFAOYSA-N -1 0 311.323 -0.564 20 0 DBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000813988934 805038614 /nfs/dbraw/zinc/03/86/14/805038614.db2.gz UMMRLRKDJAPWMK-ZETCQYMHSA-N -1 0 303.340 -0.267 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000813989089 805038931 /nfs/dbraw/zinc/03/89/31/805038931.db2.gz YTYBEOFOWCLRSM-MRVPVSSYSA-N -1 0 302.356 -0.552 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCC1CCOCC1 ZINC000814251035 805041149 /nfs/dbraw/zinc/04/11/49/805041149.db2.gz BZPDVYRPWVMZAN-MNOVXSKESA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)CCC1CCOCC1 ZINC000814251034 805041726 /nfs/dbraw/zinc/04/17/26/805041726.db2.gz BZPDVYRPWVMZAN-GHMZBOCLSA-N -1 0 307.368 -0.347 20 0 DBADRM Cc1c(C(=O)OCc2n[nH]c(=O)[n-]2)nnn1-c1ccn(C)n1 ZINC000814576614 805045094 /nfs/dbraw/zinc/04/50/94/805045094.db2.gz BYQHWTKRUWIGMH-UHFFFAOYSA-N -1 0 304.270 -0.510 20 0 DBADRM CCOC(=O)c1cnn(C)c1NC(=O)C(=O)[N-]OCC1CC1 ZINC000815791133 805059399 /nfs/dbraw/zinc/05/93/99/805059399.db2.gz TURVCNWWPUBJQW-UHFFFAOYSA-N -1 0 310.310 -0.007 20 0 DBADRM Cn1cnnc1COCC(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000815898669 805060341 /nfs/dbraw/zinc/06/03/41/805060341.db2.gz OFSNJHSEIVOWSF-UHFFFAOYSA-N -1 0 324.362 -0.022 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCCC1)[C@H]1CCNC(=O)CC1 ZINC000815921144 805061022 /nfs/dbraw/zinc/06/10/22/805061022.db2.gz XLWVAYKQSZIDGV-SNVBAGLBSA-N -1 0 303.384 -0.250 20 0 DBADRM CCC(CC)CS(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000815947097 805062056 /nfs/dbraw/zinc/06/20/56/805062056.db2.gz QACYFVYITYYYCF-UHFFFAOYSA-N -1 0 318.399 -0.146 20 0 DBADRM CC(C)CCS(=O)(=O)[N-]C(=O)COCc1nncn1C ZINC000815944920 805062217 /nfs/dbraw/zinc/06/22/17/805062217.db2.gz PFXVWFCSNVRWMI-UHFFFAOYSA-N -1 0 304.372 -0.176 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)n1C ZINC000815948603 805062309 /nfs/dbraw/zinc/06/23/09/805062309.db2.gz OUNMCSMCEREHDF-QMMMGPOBSA-N -1 0 318.351 -0.094 20 0 DBADRM CO[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000815962850 805062353 /nfs/dbraw/zinc/06/23/53/805062353.db2.gz DITJXXNUZFIODW-MNOVXSKESA-N -1 0 306.384 -0.115 20 0 DBADRM CO[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000815962860 805062391 /nfs/dbraw/zinc/06/23/91/805062391.db2.gz DPXMUFBNBPRBJQ-MNOVXSKESA-N -1 0 306.384 -0.115 20 0 DBADRM CCC(CC)S(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000815948806 805062406 /nfs/dbraw/zinc/06/24/06/805062406.db2.gz VIRGGFSLYRIDOX-UHFFFAOYSA-N -1 0 304.372 -0.394 20 0 DBADRM CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCOC)nc1 ZINC000815945609 805062414 /nfs/dbraw/zinc/06/24/14/805062414.db2.gz MEHHVZICVALQGE-UHFFFAOYSA-N -1 0 316.335 -0.036 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)c1nnn(-c2ccn(C)n2)c1C ZINC000815956597 805062689 /nfs/dbraw/zinc/06/26/89/805062689.db2.gz JXWUCFCKYGYTMK-UHFFFAOYSA-N -1 0 312.355 -0.221 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000815963041 805062768 /nfs/dbraw/zinc/06/27/68/805062768.db2.gz LTTLBVKEJOYNRA-UHFFFAOYSA-N -1 0 317.323 -0.892 20 0 DBADRM O=C(CCc1cncs1)[N-]S(=O)(=O)N1CCOCC1 ZINC000815963329 805062920 /nfs/dbraw/zinc/06/29/20/805062920.db2.gz WZUHHIWGABAKFY-UHFFFAOYSA-N -1 0 305.381 -0.231 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000815956911 805062954 /nfs/dbraw/zinc/06/29/54/805062954.db2.gz RFIMPDOROUFMDW-AOOOYVTPSA-N -1 0 314.363 -0.206 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)OC)c1 ZINC000815944884 805062981 /nfs/dbraw/zinc/06/29/81/805062981.db2.gz OIUOLQDRRPWLET-UHFFFAOYSA-N -1 0 304.324 -0.103 20 0 DBADRM Cc1c(C(=O)[N-]N2CCCNC2=O)nnn1-c1ccn(C)n1 ZINC000815982433 805063268 /nfs/dbraw/zinc/06/32/68/805063268.db2.gz XMZVLGQZTYUERR-UHFFFAOYSA-N -1 0 304.314 -0.631 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)CCOCCOC)n1 ZINC000815987066 805063689 /nfs/dbraw/zinc/06/36/89/805063689.db2.gz RYIJRKKVZHISBL-UHFFFAOYSA-N -1 0 306.344 -0.979 20 0 DBADRM COc1cccc2c1[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2 ZINC000816014117 805063697 /nfs/dbraw/zinc/06/36/97/805063697.db2.gz NOOQWMCUGUSZQL-VIFPVBQESA-N -1 0 312.347 -0.344 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)c[nH]1 ZINC000815997262 805063765 /nfs/dbraw/zinc/06/37/65/805063765.db2.gz GZEGAUIDAIYORE-QMMMGPOBSA-N -1 0 316.335 -0.103 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC ZINC000816024099 805064372 /nfs/dbraw/zinc/06/43/72/805064372.db2.gz QZWMLGHDFGNCPX-JGVFFNPUSA-N -1 0 318.355 -0.445 20 0 DBADRM CO[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnnn2C)C1 ZINC000816034710 805064589 /nfs/dbraw/zinc/06/45/89/805064589.db2.gz NNALGCIGBYLVRB-IUCAKERBSA-N -1 0 302.356 -0.175 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC ZINC000816024098 805064965 /nfs/dbraw/zinc/06/49/65/805064965.db2.gz QZWMLGHDFGNCPX-HTQZYQBOSA-N -1 0 318.355 -0.445 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)n1C ZINC000816049228 805065603 /nfs/dbraw/zinc/06/56/03/805065603.db2.gz AHGWYPNAHKSHDY-MRVPVSSYSA-N -1 0 318.351 -0.094 20 0 DBADRM O=C(COCC1CC1)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816204998 805066092 /nfs/dbraw/zinc/06/60/92/805066092.db2.gz BPAMQKZLQWVVAA-UHFFFAOYSA-N -1 0 315.351 -0.103 20 0 DBADRM CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816201408 805066480 /nfs/dbraw/zinc/06/64/80/805066480.db2.gz BKKZXBLSKMPLCT-BDAKNGLRSA-N -1 0 315.351 -0.105 20 0 DBADRM CO[C@H](C)CC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816204896 805066766 /nfs/dbraw/zinc/06/67/66/805066766.db2.gz XTZLCRSVDSGLAE-MRVPVSSYSA-N -1 0 303.340 -0.105 20 0 DBADRM CC/C=C\CCN1CC(O)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001325236280 807053929 /nfs/dbraw/zinc/05/39/29/807053929.db2.gz KXRVUFYWXGPLQF-ARJAWSKDSA-N -1 0 323.353 -0.584 20 0 DBADRM CO[C@@H]1CCC[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC000816448848 805069898 /nfs/dbraw/zinc/06/98/98/805069898.db2.gz LVFPBUMGGRPSLJ-VHSXEESVSA-N -1 0 306.384 -0.226 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C1=COCC1 ZINC000816461008 805071587 /nfs/dbraw/zinc/07/15/87/805071587.db2.gz FWUQFTZYFABDHC-SNVBAGLBSA-N -1 0 313.335 -0.046 20 0 DBADRM CCn1cc(-c2nn(C)cc2C(=O)Nn2c(=O)[n-][nH]c2=O)cn1 ZINC000816730963 805078179 /nfs/dbraw/zinc/07/81/79/805078179.db2.gz VXVJTMWXYPCROD-UHFFFAOYSA-N -1 0 318.297 -0.310 20 0 DBADRM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nn1c(=O)[n-][nH]c1=O ZINC000816730883 805078889 /nfs/dbraw/zinc/07/88/89/805078889.db2.gz SPCYETAAXMUWHH-OCAPTIKFSA-N -1 0 323.309 -0.675 20 0 DBADRM O=C(CCS(=O)(=O)C1CCCC1)Nn1c(=O)[n-][nH]c1=O ZINC000816732536 805079495 /nfs/dbraw/zinc/07/94/95/805079495.db2.gz LTUSVBBFPJTDNQ-UHFFFAOYSA-N -1 0 304.328 -0.493 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)C1CCN(c2cnccn2)CC1 ZINC000816733486 805079737 /nfs/dbraw/zinc/07/97/37/805079737.db2.gz YSOSMZPMSGZNTD-UHFFFAOYSA-N -1 0 305.298 -0.534 20 0 DBADRM O=C(CCCNC(=O)c1ccccc1)Nn1c(=O)[n-][nH]c1=O ZINC000816733577 805080012 /nfs/dbraw/zinc/08/00/12/805080012.db2.gz CSXHCWWVZWCXBC-UHFFFAOYSA-N -1 0 305.294 -0.030 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000816732965 805080100 /nfs/dbraw/zinc/08/01/00/805080100.db2.gz DAUMRESKPVIFCK-UHFFFAOYSA-N -1 0 314.261 -0.381 20 0 DBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H]1CC(C)(C)OC1=O ZINC000817075848 805090809 /nfs/dbraw/zinc/09/08/09/805090809.db2.gz GFTDJWNSWLHMDL-SECBINFHSA-N -1 0 319.321 -0.376 20 0 DBADRM COc1ccncc1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000817088282 805091045 /nfs/dbraw/zinc/09/10/45/805091045.db2.gz WIKNPSPMNPVRGA-UHFFFAOYSA-N -1 0 314.305 -0.209 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCOc2cccnc2)C1 ZINC000817106762 805091236 /nfs/dbraw/zinc/09/12/36/805091236.db2.gz LJQIZXCJGXFFED-OAHLLOKOSA-N -1 0 321.333 -0.100 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC(=O)[N-]OCCC2CC2)c1 ZINC000817441257 805094556 /nfs/dbraw/zinc/09/45/56/805094556.db2.gz AWKZWWNDZIFYCB-UHFFFAOYSA-N -1 0 302.356 -0.454 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(=O)[N-]OCCC2CC2)cn1 ZINC000817399189 805094720 /nfs/dbraw/zinc/09/47/20/805094720.db2.gz FKUNWNATOZHMFV-UHFFFAOYSA-N -1 0 302.356 -0.454 20 0 DBADRM C[C@@]1(F)CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000817908081 805103600 /nfs/dbraw/zinc/10/36/00/805103600.db2.gz NTNKWHLOMWJYKE-TVQRCGJNSA-N -1 0 302.302 -0.351 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)Cc1nc2ncccn2n1 ZINC000818310816 805110793 /nfs/dbraw/zinc/11/07/93/805110793.db2.gz XLCGPOACNYGDDW-CQSZACIVSA-N -1 0 319.321 -0.241 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)Cc1nc2ncccn2n1 ZINC000818310814 805111308 /nfs/dbraw/zinc/11/13/08/805111308.db2.gz XLCGPOACNYGDDW-AWEZNQCLSA-N -1 0 319.321 -0.241 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818319055 805111403 /nfs/dbraw/zinc/11/14/03/805111403.db2.gz BQRSXMAOHCUAED-VIFPVBQESA-N -1 0 323.353 -0.088 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000818325760 805111426 /nfs/dbraw/zinc/11/14/26/805111426.db2.gz QRJSFVFYZYDFKB-GXSJLCMTSA-N -1 0 307.368 -0.241 20 0 DBADRM CC[C@H](CSC)N(C)C(=O)C(=O)NCCOCC(=O)[O-] ZINC000884476487 807051089 /nfs/dbraw/zinc/05/10/89/807051089.db2.gz RGSOBBPAJCSVCT-SECBINFHSA-N -1 0 306.384 -0.196 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC000818658098 805116833 /nfs/dbraw/zinc/11/68/33/805116833.db2.gz QEIRLYNDEFOLJP-UHFFFAOYSA-N -1 0 323.353 -0.454 20 0 DBADRM C[C@H]1CCC[C@]1(O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000819000454 805119873 /nfs/dbraw/zinc/11/98/73/805119873.db2.gz TVVIGVZJWKJZAS-XPTSAGLGSA-N -1 0 305.338 -0.262 20 0 DBADRM Cn1ncc(N2CCO[C@H](C(=O)[O-])C2)c(Br)c1=O ZINC000819084170 805120803 /nfs/dbraw/zinc/12/08/03/805120803.db2.gz DKPJKXBQBFNXNE-ZETCQYMHSA-N -1 0 318.127 -0.167 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000819095103 805121376 /nfs/dbraw/zinc/12/13/76/805121376.db2.gz UEBLAGRYVVTZEB-SNVBAGLBSA-N -1 0 321.742 -0.473 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC000819094249 805121442 /nfs/dbraw/zinc/12/14/42/805121442.db2.gz IRZZMPBLWFAVTC-NSHDSACASA-N -1 0 303.340 -0.326 20 0 DBADRM COC1(C(=O)[O-])CCN(S(=O)(=O)c2c(C)cnn2C)CC1 ZINC000819099474 805122143 /nfs/dbraw/zinc/12/21/43/805122143.db2.gz BEKOAGZZLBEAIZ-UHFFFAOYSA-N -1 0 317.367 -0.017 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCCOC2)cn1 ZINC000819107932 805122215 /nfs/dbraw/zinc/12/22/15/805122215.db2.gz RNZKYSIJKLJEEF-LLVKDONJSA-N -1 0 303.340 -0.278 20 0 DBADRM O=C(N1CCC(O)(c2nnn[n-]2)CC1)C(F)(F)C1(O)CCC1 ZINC000819619927 805131516 /nfs/dbraw/zinc/13/15/16/805131516.db2.gz FOVQDSWSIPPORR-UHFFFAOYSA-N -1 0 317.296 -0.440 20 0 DBADRM COC(=O)CCCO[N-]C(=O)Cn1cc(C(=O)OC)nn1 ZINC000819932856 805138074 /nfs/dbraw/zinc/13/80/74/805138074.db2.gz VJWQCCAWDHOIKF-UHFFFAOYSA-N -1 0 300.271 -0.934 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000820052957 805141634 /nfs/dbraw/zinc/14/16/34/805141634.db2.gz KXUNAHVYOYKKJA-UHFFFAOYSA-N -1 0 324.362 -0.098 20 0 DBADRM CCCC(=O)N1CSC[C@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000820282207 805151603 /nfs/dbraw/zinc/15/16/03/805151603.db2.gz KPCQUDFMYSIYHM-LURJTMIESA-N -1 0 301.328 -0.539 20 0 DBADRM O=C(Cc1csc(N2CCCC2=O)n1)Nn1c(=O)[n-][nH]c1=O ZINC000820283242 805152071 /nfs/dbraw/zinc/15/20/71/805152071.db2.gz VHRXFVLWGKJWFY-UHFFFAOYSA-N -1 0 324.322 -0.415 20 0 DBADRM NC(=O)c1cccc(OCCC(=O)Nn2c(=O)[n-][nH]c2=O)c1 ZINC000820288435 805152084 /nfs/dbraw/zinc/15/20/84/805152084.db2.gz MJFYGPUFPOCTHP-UHFFFAOYSA-N -1 0 307.266 -0.673 20 0 DBADRM O=C(CCNC(=O)OCC(F)(F)F)Nn1c(=O)[n-][nH]c1=O ZINC000820282240 805152112 /nfs/dbraw/zinc/15/21/12/805152112.db2.gz LYOYMVZFZLGCPZ-UHFFFAOYSA-N -1 0 313.192 -0.562 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)Nn1c(=O)[n-][nH]c1=O)c2=O ZINC000820283795 805152213 /nfs/dbraw/zinc/15/22/13/805152213.db2.gz ZOXMXXGVTMHMNC-UHFFFAOYSA-N -1 0 302.250 -0.610 20 0 DBADRM C[C@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CCN1C ZINC000820295478 805152760 /nfs/dbraw/zinc/15/27/60/805152760.db2.gz LFIXTSWMNSWMFG-JTQLQIEISA-N -1 0 301.354 -0.149 20 0 DBADRM CCn1ncn([N-]C(=O)c2csc(S(N)(=O)=O)c2)c1=O ZINC000820391232 805155558 /nfs/dbraw/zinc/15/55/58/805155558.db2.gz LLHSQRRPRYYSNA-UHFFFAOYSA-N -1 0 317.352 -0.843 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)C[C@H](C)n1cccn1 ZINC000820470177 805156662 /nfs/dbraw/zinc/15/66/62/805156662.db2.gz XAYAMMDESQDFPR-VIFPVBQESA-N -1 0 303.340 -0.157 20 0 DBADRM COCCO[N-]C(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000820613430 805161450 /nfs/dbraw/zinc/16/14/50/805161450.db2.gz CIMIMNPIUCGELW-RQJHMYQMSA-N -1 0 305.274 -0.096 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000821196143 805176703 /nfs/dbraw/zinc/17/67/03/805176703.db2.gz ZFSLQYDMJHXSOB-SOUAVXJDSA-N -1 0 308.367 -0.048 20 0 DBADRM CC(C)(C)C[C@H](O)[C@H](NS(=O)(=O)[C@@H]1CCOC1)C(=O)[O-] ZINC000821248301 805177173 /nfs/dbraw/zinc/17/71/73/805177173.db2.gz KGGNTMFWJLPRHC-UTLUCORTSA-N -1 0 309.384 -0.055 20 0 DBADRM O=C(CCn1ccnn1)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1 ZINC000821589090 805185643 /nfs/dbraw/zinc/18/56/43/805185643.db2.gz WWJXFIKIGPRMBY-UHFFFAOYSA-N -1 0 321.322 -0.555 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)CCC(=O)OC ZINC000821597343 805186954 /nfs/dbraw/zinc/18/69/54/805186954.db2.gz OYTWOLCKLGAMMI-UHFFFAOYSA-N -1 0 308.356 -0.698 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)CCC(=O)OC ZINC000821598776 805187118 /nfs/dbraw/zinc/18/71/18/805187118.db2.gz RXTFLTOISDKUEK-UHFFFAOYSA-N -1 0 310.328 -0.868 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2COCCO2)c1 ZINC000822893885 805216266 /nfs/dbraw/zinc/21/62/66/805216266.db2.gz LRFZKCSAOCWYEX-MRVPVSSYSA-N -1 0 316.335 -0.815 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001289429974 805220256 /nfs/dbraw/zinc/22/02/56/805220256.db2.gz MNPBREHFELKGIT-LPEHRKFASA-N -1 0 311.338 -0.656 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCS(=O)(=O)c1ccc(C)cc1 ZINC001289430851 805220328 /nfs/dbraw/zinc/22/03/28/805220328.db2.gz WOARBPIHUSQLPW-UHFFFAOYSA-N -1 0 314.363 -0.047 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC001289430531 805220590 /nfs/dbraw/zinc/22/05/90/805220590.db2.gz UAUCACNAOMBRCU-VIFPVBQESA-N -1 0 301.343 -0.946 20 0 DBADRM CC(C)OCCO[N-]C(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC000823077131 805223674 /nfs/dbraw/zinc/22/36/74/805223674.db2.gz QSECVHHRHNVSIH-NEPJUHHUSA-N -1 0 310.354 -0.111 20 0 DBADRM O=C([N-]S(=O)(=O)CCCF)c1ccc(-c2nn[nH]n2)nc1 ZINC000823285129 805228403 /nfs/dbraw/zinc/22/84/03/805228403.db2.gz NHGMBKLCMBWHDR-UHFFFAOYSA-N -1 0 314.302 -0.319 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000823259639 805228919 /nfs/dbraw/zinc/22/89/19/805228919.db2.gz KYNNJWXDEVZSSP-SSDOTTSWSA-N -1 0 316.335 -0.279 20 0 DBADRM Cc1cc(C(=O)NCCOCC(=O)[O-])ccc1-n1cnnn1 ZINC000823329192 805230392 /nfs/dbraw/zinc/23/03/92/805230392.db2.gz JPYJTGBPLHVHRA-UHFFFAOYSA-N -1 0 305.294 -0.198 20 0 DBADRM Cn1[nH]c(C(C)(C)C)cc1=NC(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC000823659742 805237009 /nfs/dbraw/zinc/23/70/09/805237009.db2.gz QGRCLPAEMQWQLV-SNVBAGLBSA-N -1 0 324.381 -0.137 20 0 DBADRM C/C=C(/C)C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001290030034 805243442 /nfs/dbraw/zinc/24/34/42/805243442.db2.gz IDUVQMKBVALJAG-LIIPPBBTSA-N -1 0 323.353 -0.334 20 0 DBADRM CC(C)[C@@H](O)C1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000824200412 805250969 /nfs/dbraw/zinc/25/09/69/805250969.db2.gz QLAQEVCTFJWMCH-SNVBAGLBSA-N -1 0 320.357 -0.629 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)CC1CN(C(=O)[O-])C1 ZINC000824381588 805255540 /nfs/dbraw/zinc/25/55/40/805255540.db2.gz HBVNOSLYQLIMBC-UHFFFAOYSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001292465809 805275002 /nfs/dbraw/zinc/27/50/02/805275002.db2.gz DLDJPNNDGUCDJD-JGVFFNPUSA-N -1 0 309.326 -0.896 20 0 DBADRM CCCN(CC(=O)NC)C(=O)Cc1noc(C)c1-c1nn[nH]n1 ZINC000825308221 805276525 /nfs/dbraw/zinc/27/65/25/805276525.db2.gz XQMYFVUISPIDLX-UHFFFAOYSA-N -1 0 321.341 -0.310 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)Cc1noc(C)c1-c1nn[nH]n1 ZINC000825486771 805280643 /nfs/dbraw/zinc/28/06/43/805280643.db2.gz YJBUYNVNKJIAEF-ZCFIWIBFSA-N -1 0 308.298 -0.227 20 0 DBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)C1(NC(=O)[O-])CC1 ZINC000826075133 805292278 /nfs/dbraw/zinc/29/22/78/805292278.db2.gz UOQYSQKRMIGMIK-IUCAKERBSA-N -1 0 319.383 -0.427 20 0 DBADRM CO[C@@H]1[C@H](C)[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1(C)C ZINC000826144213 805300944 /nfs/dbraw/zinc/30/09/44/805300944.db2.gz DRQJTIHMPFAZBM-SZEHBUNVSA-N -1 0 320.357 -0.366 20 0 DBADRM CO[C@H]1CCC[C@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000826146169 805301386 /nfs/dbraw/zinc/30/13/86/805301386.db2.gz RGNNEYQSAQPVGV-IUCAKERBSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@H](C(=O)NCCNC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001292618578 805307296 /nfs/dbraw/zinc/30/72/96/805307296.db2.gz MOXQBJCRYYJPCR-QMMMGPOBSA-N -1 0 308.338 -0.622 20 0 DBADRM C[C@@H](C(=O)NCCNC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001292618577 805307625 /nfs/dbraw/zinc/30/76/25/805307625.db2.gz MOXQBJCRYYJPCR-MRVPVSSYSA-N -1 0 308.338 -0.622 20 0 DBADRM O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000826469440 805311210 /nfs/dbraw/zinc/31/12/10/805311210.db2.gz HCJOJTWZYNFCEG-ZETCQYMHSA-N -1 0 314.313 -0.272 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000826651459 805316423 /nfs/dbraw/zinc/31/64/23/805316423.db2.gz DFPNQEGPPPTGKX-VHSXEESVSA-N -1 0 314.338 -0.234 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC000827591580 805345513 /nfs/dbraw/zinc/34/55/13/805345513.db2.gz WDBZZKACXLDHDY-VGMNWLOBSA-N -1 0 312.288 -0.356 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC000827665544 805348099 /nfs/dbraw/zinc/34/80/99/805348099.db2.gz IHMVXGVIBPPWEZ-JTQLQIEISA-N -1 0 312.370 -0.101 20 0 DBADRM O=C(c1cnc2c[nH]nc2c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001292975603 805367948 /nfs/dbraw/zinc/36/79/48/805367948.db2.gz FDQOFIVXWPCPNK-SNVBAGLBSA-N -1 0 300.282 -0.315 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)n1 ZINC000828552570 805377138 /nfs/dbraw/zinc/37/71/38/805377138.db2.gz UCOONXXWUSYZDG-SFYZADRCSA-N -1 0 310.314 -0.601 20 0 DBADRM COC(=O)CSCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001293063770 805380492 /nfs/dbraw/zinc/38/04/92/805380492.db2.gz JHKGUIAAMUAIIF-UHFFFAOYSA-N -1 0 318.355 -0.508 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)c1cc(F)cc(F)c1[O-] ZINC000828985466 805387848 /nfs/dbraw/zinc/38/78/48/805387848.db2.gz WPCLUGLFUMELJU-UHFFFAOYSA-N -1 0 315.276 -0.395 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001293190876 805395920 /nfs/dbraw/zinc/39/59/20/805395920.db2.gz JZSZGDRFXYWDGW-RKDXNWHRSA-N -1 0 324.337 -0.531 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)C[C@H]2CCC(=O)N2)c1[O-] ZINC001293242791 805402521 /nfs/dbraw/zinc/40/25/21/805402521.db2.gz DTIYIJDGGZIURL-SECBINFHSA-N -1 0 323.353 -0.671 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)[C@@H]2CCC(=O)NC2)c1[O-] ZINC001293249502 805403415 /nfs/dbraw/zinc/40/34/15/805403415.db2.gz LBCOUCMUJSRNQP-SECBINFHSA-N -1 0 323.353 -0.814 20 0 DBADRM O=C([O-])[C@]12CN(S(=O)(=O)C[C@H]3CCCO3)C[C@H]1COCC2 ZINC000830058135 805418020 /nfs/dbraw/zinc/41/80/20/805418020.db2.gz JHHZOARSSBKHON-DMDPSCGWSA-N -1 0 319.379 -0.082 20 0 DBADRM CC1(CC(=O)NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001293450802 805423811 /nfs/dbraw/zinc/42/38/11/805423811.db2.gz YDOQXHKNIRVOSG-UHFFFAOYSA-N -1 0 309.326 -0.291 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1nccc(OC)c1F ZINC000830285822 805429144 /nfs/dbraw/zinc/42/91/44/805429144.db2.gz OISDDRVMEPRNGP-UHFFFAOYSA-N -1 0 301.274 -0.460 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000830325490 805430036 /nfs/dbraw/zinc/43/00/36/805430036.db2.gz RVDJZEBXBYURMM-CHWSQXEVSA-N -1 0 324.381 -0.058 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000830325542 805430322 /nfs/dbraw/zinc/43/03/22/805430322.db2.gz RVDJZEBXBYURMM-OLZOCXBDSA-N -1 0 324.381 -0.058 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C[C@H]2CC(=O)N2)C1 ZINC000830794881 805440195 /nfs/dbraw/zinc/44/01/95/805440195.db2.gz DUWYWDVIZPEHEY-RDDDGLTNSA-N -1 0 307.272 -0.066 20 0 DBADRM CNC(=O)NCCC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830802258 805440685 /nfs/dbraw/zinc/44/06/85/805440685.db2.gz RTZQWONDCRUXIC-NSHDSACASA-N -1 0 324.303 -0.025 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000830790086 805441240 /nfs/dbraw/zinc/44/12/40/805441240.db2.gz NEVMKHOEMGTOHU-CPCISQLKSA-N -1 0 307.272 -0.066 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CS(C)(=O)=O)C1 ZINC000830827252 805441336 /nfs/dbraw/zinc/44/13/36/805441336.db2.gz KRTPGWJVLSQUSW-VIFPVBQESA-N -1 0 316.301 -0.300 20 0 DBADRM Cn1cc(N2CCN(C(=O)C3(NC(=O)[O-])CC3)CC2=O)cn1 ZINC000831008744 805444928 /nfs/dbraw/zinc/44/49/28/805444928.db2.gz AXOQMJJPHGFFIG-UHFFFAOYSA-N -1 0 307.310 -0.605 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCCCC(=O)NC1CC1 ZINC000831380836 805452613 /nfs/dbraw/zinc/45/26/13/805452613.db2.gz HEZSHTLSOSINCN-NSHDSACASA-N -1 0 313.354 -0.070 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cc(Br)[nH]n2)C1=O ZINC000831544486 805454526 /nfs/dbraw/zinc/45/45/26/805454526.db2.gz XXXZTQJCYRIHOR-UHFFFAOYSA-N -1 0 302.088 -0.289 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000831574559 805458495 /nfs/dbraw/zinc/45/84/95/805458495.db2.gz WSRAGXALUKYHMG-GHMZBOCLSA-N -1 0 311.338 -0.365 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000831574561 805458576 /nfs/dbraw/zinc/45/85/76/805458576.db2.gz WSRAGXALUKYHMG-QWRGUYRKSA-N -1 0 311.338 -0.365 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNc1ccc(C(=O)NCCO)nn1 ZINC000831692736 805460872 /nfs/dbraw/zinc/46/08/72/805460872.db2.gz ALQVEZLOSWZNGV-VIFPVBQESA-N -1 0 309.326 -0.247 20 0 DBADRM CCC1(Cn2cc(C(=O)[N-]N3CCCNC3=O)nn2)COC1 ZINC000831785843 805465098 /nfs/dbraw/zinc/46/50/98/805465098.db2.gz QQORIFSRQNNTIX-UHFFFAOYSA-N -1 0 308.342 -0.235 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N(C)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001294211338 805472939 /nfs/dbraw/zinc/47/29/39/805472939.db2.gz RJFYWNROPCFUQH-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@]1(Cc2ccccc2)CCN(C)C1=O ZINC000832745929 805490301 /nfs/dbraw/zinc/49/03/01/805490301.db2.gz UANXWVLLGJGXFA-INIZCTEOSA-N -1 0 319.361 -0.129 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CC(c2cccc(OC)c2)=NO1 ZINC000832753067 805490361 /nfs/dbraw/zinc/49/03/61/805490361.db2.gz HRQZZDUSZRXBDK-GFCCVEGCSA-N -1 0 307.306 -0.018 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000832776091 805491253 /nfs/dbraw/zinc/49/12/53/805491253.db2.gz FRCRNFGGAMBWJY-LBPRGKRZSA-N -1 0 305.334 -0.171 20 0 DBADRM CO[N-]C(=O)CNC(=O)CN1C(=O)CSc2ccccc21 ZINC000832776118 805491549 /nfs/dbraw/zinc/49/15/49/805491549.db2.gz GPJNGBSXYPFTJU-UHFFFAOYSA-N -1 0 309.347 -0.081 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000832770297 805491965 /nfs/dbraw/zinc/49/19/65/805491965.db2.gz WRZGWZOVKJZIQO-LLVKDONJSA-N -1 0 309.297 -0.028 20 0 DBADRM O=C([O-])CN(C(=O)CN1CCS(=O)(=O)CC1)C1CCCC1 ZINC000833245194 805495221 /nfs/dbraw/zinc/49/52/21/805495221.db2.gz QVPVRSXQFWCSKW-UHFFFAOYSA-N -1 0 318.395 -0.427 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCC[C@H](Cn3ccnn3)C2)C1 ZINC000834158795 805495995 /nfs/dbraw/zinc/49/59/95/805495995.db2.gz VYZGAUJYMIGVBN-NWDGAFQWSA-N -1 0 322.369 -0.184 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCO[C@H]([C@@H]3CCCO3)C2)C1 ZINC000834160092 805496137 /nfs/dbraw/zinc/49/61/37/805496137.db2.gz RVBGUVFOYHCLQW-WOPDTQHZSA-N -1 0 313.354 -0.308 20 0 DBADRM Cn1cc([C@@H]2CN(CN3C[C@@H](NC(=O)[O-])CC3=O)CCO2)cn1 ZINC000833948003 805496169 /nfs/dbraw/zinc/49/61/69/805496169.db2.gz RLRRFHFZETVQHC-RYUDHWBXSA-N -1 0 323.353 -0.381 20 0 DBADRM O=C([O-])N(CC(=O)N(CCO)CCN1CCOCC1)C1CC1 ZINC000834001606 805496574 /nfs/dbraw/zinc/49/65/74/805496574.db2.gz UHNQTYDCNKWTTK-UHFFFAOYSA-N -1 0 315.370 -0.718 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CCc2cccnc21 ZINC000834324877 805497315 /nfs/dbraw/zinc/49/73/15/805497315.db2.gz MFGUHLOGWBNKPI-JTQLQIEISA-N -1 0 311.363 -0.307 20 0 DBADRM CC1(C)CCC[C@@](O)(C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC000834324555 805497333 /nfs/dbraw/zinc/49/73/33/805497333.db2.gz BFBYDIZHSDYANH-ZDUSSCGKSA-N -1 0 320.411 -0.100 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnc2n1CCC2 ZINC000834324952 805497489 /nfs/dbraw/zinc/49/74/89/805497489.db2.gz OOBOSWZNAFSXEI-UHFFFAOYSA-N -1 0 300.340 -0.975 20 0 DBADRM CC(C)(O)CO[N-]C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000834622324 805513993 /nfs/dbraw/zinc/51/39/93/805513993.db2.gz UESIYGPGFOJVDG-GHMZBOCLSA-N -1 0 309.322 -0.224 20 0 DBADRM CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)N1CCCC1)C(C)(C)C ZINC000835098792 805519135 /nfs/dbraw/zinc/51/91/35/805519135.db2.gz SALMIJNGUYDZSY-SNVBAGLBSA-N -1 0 305.400 -0.006 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)[N-]S(=O)(=O)N1CCCCC1 ZINC000835096419 805519485 /nfs/dbraw/zinc/51/94/85/805519485.db2.gz BKBXHXGVOWAODW-UHFFFAOYSA-N -1 0 310.397 -0.590 20 0 DBADRM Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)N3CCOCC3)c2c1 ZINC000835185642 805520844 /nfs/dbraw/zinc/52/08/44/805520844.db2.gz WBXSZKRMXLJARL-UHFFFAOYSA-N -1 0 324.362 -0.050 20 0 DBADRM CCc1csc(S(=O)(=O)[N-]C(=O)c2ncn(C)n2)n1 ZINC000835591236 805522213 /nfs/dbraw/zinc/52/22/13/805522213.db2.gz WUZXRMYSOIBBQR-UHFFFAOYSA-N -1 0 301.353 -0.047 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)CCOC(C)(C)C ZINC000835918546 805522401 /nfs/dbraw/zinc/52/24/01/805522401.db2.gz MEQSYVKAOWLKRJ-LLVKDONJSA-N -1 0 322.427 -0.032 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)[N-]O[C@H](CO)C(C)C)c(=O)c1 ZINC000836901103 805529964 /nfs/dbraw/zinc/52/99/64/805529964.db2.gz VQBGIEQLZZFIRN-DOMZBBRYSA-N -1 0 312.366 -0.028 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC(S(C)(=O)=O)C1 ZINC000837152458 805530703 /nfs/dbraw/zinc/53/07/03/805530703.db2.gz JWYLUNDLZTZMQG-UHFFFAOYSA-N -1 0 316.301 -0.301 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C[C@H]1O ZINC000836957634 805530764 /nfs/dbraw/zinc/53/07/64/805530764.db2.gz NKTRRWSALXOLBK-HLTSFMKQSA-N -1 0 312.288 -0.092 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)N(C)CC(F)(F)F ZINC000838800348 805545447 /nfs/dbraw/zinc/54/54/47/805545447.db2.gz YVEINOVBMNPNFX-ZCFIWIBFSA-N -1 0 320.289 -0.512 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CN(C)c1ccccc1 ZINC000838802360 805545647 /nfs/dbraw/zinc/54/56/47/805545647.db2.gz RHGGIYGOLNXIPQ-UHFFFAOYSA-N -1 0 300.336 -0.258 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)COc1ccc(F)cc1 ZINC000838804698 805545658 /nfs/dbraw/zinc/54/56/58/805545658.db2.gz YJJYTHRCHSYTKS-UHFFFAOYSA-N -1 0 305.283 -0.177 20 0 DBADRM CCOC(=O)C1(CC(=O)[N-]S(=O)(=O)CC(=O)OC)CCC1 ZINC000838800302 805546000 /nfs/dbraw/zinc/54/60/00/805546000.db2.gz XHFZCYUOISDKOQ-UHFFFAOYSA-N -1 0 321.351 -0.271 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)COc1ccccc1C ZINC000838802489 805546127 /nfs/dbraw/zinc/54/61/27/805546127.db2.gz IFUPNLTVYLLJFL-UHFFFAOYSA-N -1 0 301.320 -0.007 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)COc1ccc(OC)cc1 ZINC000838804715 805546146 /nfs/dbraw/zinc/54/61/46/805546146.db2.gz YLZAIOAGCYSBBG-UHFFFAOYSA-N -1 0 317.319 -0.307 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)Cn1nc(C)c(Cl)c1C ZINC000838808021 805546559 /nfs/dbraw/zinc/54/65/59/805546559.db2.gz ZAYKGLCIHMVBQG-UHFFFAOYSA-N -1 0 323.758 -0.228 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)Cn1cc(Cl)cn1 ZINC000838845458 805547263 /nfs/dbraw/zinc/54/72/63/805547263.db2.gz FVEOTDDAIOTBGK-UHFFFAOYSA-N -1 0 309.731 -0.454 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000838812822 805547296 /nfs/dbraw/zinc/54/72/96/805547296.db2.gz PTUDICZHFDIRBU-IVZWLZJFSA-N -1 0 302.352 -0.705 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cccnc1OC ZINC000838845494 805547301 /nfs/dbraw/zinc/54/73/01/805547301.db2.gz RCSXXNWTHBXJNC-UHFFFAOYSA-N -1 0 302.308 -0.287 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC001324591985 806989346 /nfs/dbraw/zinc/98/93/46/806989346.db2.gz DYKAOFYDXXMAHE-QMMMGPOBSA-N -1 0 310.397 -0.909 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)C(=O)[N-]OC/C=C/Cl)cn1 ZINC001324612119 806992083 /nfs/dbraw/zinc/99/20/83/806992083.db2.gz QGYUQSAVRLMARD-NSCUHMNNSA-N -1 0 315.717 -0.632 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](CF)C2)C1 ZINC000883636703 807019148 /nfs/dbraw/zinc/01/91/48/807019148.db2.gz XZEZGUXLMJHHGN-HZMBPMFUSA-N -1 0 316.329 -0.246 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)C1 ZINC000884477573 807050618 /nfs/dbraw/zinc/05/06/18/807050618.db2.gz BBRRJRXKJAFBHR-XFBKAKODSA-N -1 0 322.361 -0.151 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])C[C@@H](C)S1 ZINC000884473861 807050981 /nfs/dbraw/zinc/05/09/81/807050981.db2.gz JQAVMQRLRSKTDT-RKDXNWHRSA-N -1 0 304.368 -0.444 20 0 DBADRM CCN1C[C@@H](C)N(C(=O)C(=O)NCCOCC(=O)[O-])C[C@H]1C ZINC000884475067 807051072 /nfs/dbraw/zinc/05/10/72/807051072.db2.gz WMMVITPGKHUKBP-GHMZBOCLSA-N -1 0 315.370 -0.855 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001325402575 807067311 /nfs/dbraw/zinc/06/73/11/807067311.db2.gz ADSCVULCJXHCKM-SNVBAGLBSA-N -1 0 315.370 -0.414 20 0 DBADRM CC(C)(CNC(=O)C(=O)[N-]OC[C@H]1CCOC1)S(C)(=O)=O ZINC001325431155 807069848 /nfs/dbraw/zinc/06/98/48/807069848.db2.gz JMIZLJKLFRAWNV-VIFPVBQESA-N -1 0 322.383 -0.990 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)[N-]OC2CCCCC2)O1 ZINC001325547030 807079936 /nfs/dbraw/zinc/07/99/36/807079936.db2.gz MYRWOZAOSGSFTO-MNOVXSKESA-N -1 0 313.354 -0.484 20 0 DBADRM CCOC(=O)C[C@@H](C)CNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001325642668 807087512 /nfs/dbraw/zinc/08/75/12/807087512.db2.gz QQATZUYNFOTISB-MNOVXSKESA-N -1 0 316.354 -0.224 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C1Cc2ccccc2C1)[C@@H](C)O ZINC000885505203 807097613 /nfs/dbraw/zinc/09/76/13/807097613.db2.gz SJWQWZXRUNMVHA-RNCFNFMXSA-N -1 0 313.375 -0.004 20 0 DBADRM O=C(c1ccc(F)cc1[O-])N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000886186889 807120175 /nfs/dbraw/zinc/12/01/75/807120175.db2.gz JSECPTVRGOSZCN-VIFPVBQESA-N -1 0 315.326 -0.494 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)C2O)C(=O)[O-] ZINC001326039763 807136843 /nfs/dbraw/zinc/13/68/43/807136843.db2.gz TZZKZPFUMDCUCV-WSMDXJOWSA-N -1 0 312.366 -0.215 20 0 DBADRM O=C([O-])[C@H]1CN(c2ccc(C(=O)N3CCOCC3)cn2)CCO1 ZINC000886905359 807143948 /nfs/dbraw/zinc/14/39/48/807143948.db2.gz DYEWOSDAQLRYGQ-GFCCVEGCSA-N -1 0 321.333 -0.156 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC[C@H]1C(=O)[O-] ZINC000887051961 807147085 /nfs/dbraw/zinc/14/70/85/807147085.db2.gz FJEBAOCMYPTFOW-YYHQMBLXSA-N -1 0 324.377 -0.215 20 0 DBADRM Cc1nc2ccc(NC(=O)C(=O)NCCCC(=O)[O-])cn2n1 ZINC001326222309 807161664 /nfs/dbraw/zinc/16/16/64/807161664.db2.gz NFDRYQQJYIVOHI-UHFFFAOYSA-N -1 0 305.294 -0.043 20 0 DBADRM O=C(Cn1cc(NC(=O)C(=O)[N-]OCC2CC2)cn1)NC1CC1 ZINC001326298161 807168066 /nfs/dbraw/zinc/16/80/66/807168066.db2.gz JORWLYOKGPXQGM-UHFFFAOYSA-N -1 0 321.337 -0.442 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc2c(c1)COC2 ZINC001326630708 807199285 /nfs/dbraw/zinc/19/92/85/807199285.db2.gz BMWZXBZOILGFRZ-UHFFFAOYSA-N -1 0 321.333 -0.483 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCN(C)c1ccccc1 ZINC001326663551 807203989 /nfs/dbraw/zinc/20/39/89/807203989.db2.gz KHGUDPDIPGLTRD-UHFFFAOYSA-N -1 0 322.365 -0.577 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000898560464 807225140 /nfs/dbraw/zinc/22/51/40/807225140.db2.gz SWEXUHXWXGWUQT-SNVBAGLBSA-N -1 0 315.395 -0.476 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000898562768 807225210 /nfs/dbraw/zinc/22/52/10/807225210.db2.gz OYLDDUSVQCNAEL-NSHDSACASA-N -1 0 313.354 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCCc1ccc(O)cc1 ZINC001326985830 807229150 /nfs/dbraw/zinc/22/91/50/807229150.db2.gz ZXSXLFLTXGUWIB-UHFFFAOYSA-N -1 0 323.349 -0.375 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC001327033195 807235190 /nfs/dbraw/zinc/23/51/90/807235190.db2.gz MWLOEDBXBVGMJI-RYUDHWBXSA-N -1 0 323.752 -0.009 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@H]2CC(=O)N(CC3CC3)C2)CCO1 ZINC000898863348 807240356 /nfs/dbraw/zinc/24/03/56/807240356.db2.gz HRMKRCHSWLXJMH-WDEREUQCSA-N -1 0 311.338 -0.508 20 0 DBADRM Cc1cccc(CO[N-]C(=O)Cn2ccc(=O)n(C)c2=O)n1 ZINC000898935973 807241204 /nfs/dbraw/zinc/24/12/04/807241204.db2.gz KRUVSBXZNDTJKQ-UHFFFAOYSA-N -1 0 304.306 -0.502 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCCO[C@H]1CCOC1 ZINC001327108884 807242211 /nfs/dbraw/zinc/24/22/11/807242211.db2.gz YEJNMODFLJRBFV-RYUDHWBXSA-N -1 0 316.354 -0.618 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)NCCCO[C@@H]1CCOC1 ZINC001327107221 807242341 /nfs/dbraw/zinc/24/23/41/807242341.db2.gz FYOLHSRBTAAGJS-GFCCVEGCSA-N -1 0 316.354 -0.475 20 0 DBADRM COCCn1cc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)c(C)n1 ZINC000899034981 807244088 /nfs/dbraw/zinc/24/40/88/807244088.db2.gz HRCXQBXCXVILTF-VIFPVBQESA-N -1 0 309.326 -0.235 20 0 DBADRM Cc1cnc2c(C(=O)[N-]N3C(=O)[C@@H](C)N(C)C3=O)cnn2c1 ZINC000899043452 807244800 /nfs/dbraw/zinc/24/48/00/807244800.db2.gz XUBDJKLTYHMHKG-MRVPVSSYSA-N -1 0 302.294 -0.035 20 0 DBADRM CC(C)(C)n1[n-]cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1=O ZINC000899238144 807254204 /nfs/dbraw/zinc/25/42/04/807254204.db2.gz XHJHSGPQGKTWSB-DTWKUNHWSA-N -1 0 301.368 -0.468 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)[N-]OCc2ccccc2)O1 ZINC001327301458 807258221 /nfs/dbraw/zinc/25/82/21/807258221.db2.gz FUAWNEVOHYXYGX-RYUDHWBXSA-N -1 0 321.333 -0.617 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)[N-]OCc2ccccc2)O1 ZINC001327301459 807258261 /nfs/dbraw/zinc/25/82/61/807258261.db2.gz FUAWNEVOHYXYGX-VXGBXAGGSA-N -1 0 321.333 -0.617 20 0 DBADRM CC(C)[C@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000899813095 807273921 /nfs/dbraw/zinc/27/39/21/807273921.db2.gz RYFRKALEKNFUMS-ZWNOBZJWSA-N -1 0 318.395 -0.163 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000899938822 807278381 /nfs/dbraw/zinc/27/83/81/807278381.db2.gz YVGBJDPLYWLJPV-URLYPYJESA-N -1 0 304.368 -0.396 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC001327479613 807289450 /nfs/dbraw/zinc/28/94/50/807289450.db2.gz MQUJPQRWBKLDEV-QMMMGPOBSA-N -1 0 311.294 -0.629 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC001327481474 807289713 /nfs/dbraw/zinc/28/97/13/807289713.db2.gz WBXUERQYQRLPLL-UHFFFAOYSA-N -1 0 311.294 -0.628 20 0 DBADRM C[S@@](=O)C1(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)CCC1 ZINC001327514905 807296992 /nfs/dbraw/zinc/29/69/92/807296992.db2.gz UFEBUZVLFOLWIK-LADRHHBVSA-N -1 0 318.395 -0.512 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H]1CSC ZINC001327571898 807304921 /nfs/dbraw/zinc/30/49/21/807304921.db2.gz QSBBPDOFVCUCQJ-VIFPVBQESA-N -1 0 303.384 -0.476 20 0 DBADRM CCOC[C@H]1CCN(C(=O)C(=O)NCC(=O)[N-]OCC)C1 ZINC001327571107 807305456 /nfs/dbraw/zinc/30/54/56/807305456.db2.gz DHPHGVVBXLTRCB-JTQLQIEISA-N -1 0 301.343 -0.945 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(CS(N)(=O)=O)cc1 ZINC001327593857 807310027 /nfs/dbraw/zinc/31/00/27/807310027.db2.gz WUBDKRACOXMPOZ-GFCCVEGCSA-N -1 0 316.335 -0.097 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC(N2CCOC2=O)CC1 ZINC001327599226 807310635 /nfs/dbraw/zinc/31/06/35/807310635.db2.gz SJXQJEFFVBJZGH-CYBMUJFWSA-N -1 0 300.311 -0.081 20 0 DBADRM O=C([N-]OCCC(F)(F)F)C(=O)NC[C@@H]1COCCO1 ZINC001327732899 807329213 /nfs/dbraw/zinc/32/92/13/807329213.db2.gz KGQXKWHSEMOGKF-SSDOTTSWSA-N -1 0 300.233 -0.482 20 0 DBADRM CCOCCC(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1 ZINC001327813759 807340607 /nfs/dbraw/zinc/34/06/07/807340607.db2.gz UQZZLHBIQBCKOK-UHFFFAOYSA-N -1 0 306.384 -0.130 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@H]1Cc2ccccc2CN1 ZINC000901035756 807342424 /nfs/dbraw/zinc/34/24/24/807342424.db2.gz PVEKKBCCSVAHLF-QWHCGFSZSA-N -1 0 310.375 -0.064 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N3CCC[C@H]3C(=O)[O-])CC2=O)cn1 ZINC000901441430 807364357 /nfs/dbraw/zinc/36/43/57/807364357.db2.gz BIMMSDMFOPTXGO-KOLCDFICSA-N -1 0 306.322 -0.151 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)CCO1 ZINC000901446987 807364727 /nfs/dbraw/zinc/36/47/27/807364727.db2.gz HKVIYEKZVRFVGP-BIIVOSGPSA-N -1 0 324.255 -0.387 20 0 DBADRM CN1C(=O)CN(CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1=O ZINC000901574500 807364992 /nfs/dbraw/zinc/36/49/92/807364992.db2.gz HCEQNFVCPVWQOG-SNVBAGLBSA-N -1 0 311.338 -0.016 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CC(F)(F)C(F)F ZINC000901655272 807365342 /nfs/dbraw/zinc/36/53/42/807365342.db2.gz ZQSXPAKALNUXIT-RXMQYKEDSA-N -1 0 321.248 -0.013 20 0 DBADRM CCN1CCCN(C(=O)c2cccn(CC(=O)[O-])c2=O)CC1=O ZINC000901623854 807365611 /nfs/dbraw/zinc/36/56/11/807365611.db2.gz RCTDITPLDQDLOW-UHFFFAOYSA-N -1 0 321.333 -0.373 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC000901574630 807365697 /nfs/dbraw/zinc/36/56/97/807365697.db2.gz IGJKQDISNXHXTI-GFCCVEGCSA-N -1 0 304.368 -0.265 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(c2nc(C)ns2)CC1 ZINC000901727971 807365940 /nfs/dbraw/zinc/36/59/40/807365940.db2.gz VVJPZSQDACCJLV-QMMMGPOBSA-N -1 0 300.340 -0.405 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000901805955 807365958 /nfs/dbraw/zinc/36/59/58/807365958.db2.gz OOTLXJMOOUUGEF-ZDUSSCGKSA-N -1 0 306.318 -0.213 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN1CCC[C@]1(C)C(=O)[O-] ZINC000902007371 807367053 /nfs/dbraw/zinc/36/70/53/807367053.db2.gz RKPGYGVNEUNCMW-GFCCVEGCSA-N -1 0 316.383 -0.023 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000901910192 807367461 /nfs/dbraw/zinc/36/74/61/807367461.db2.gz GBDCHKOTNDNAFG-OTYXRUKQSA-N -1 0 306.322 -0.294 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CNC(=O)N1CCCC1)C2 ZINC000902060252 807367742 /nfs/dbraw/zinc/36/77/42/807367742.db2.gz MBBIQPZBGFRYAB-QMTHXVAHSA-N -1 0 311.338 -0.649 20 0 DBADRM CN1CCCC[C@H](C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1=O ZINC000902060682 807368096 /nfs/dbraw/zinc/36/80/96/807368096.db2.gz SDFAEQGTCHGXLI-JRPNMDOOSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CC[C@@H]1C(=O)[O-] ZINC000902173064 807369565 /nfs/dbraw/zinc/36/95/65/807369565.db2.gz GEHXNJGSEQUBPJ-UWVGGRQHSA-N -1 0 306.384 -0.163 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)CC[C@H]1C(=O)[O-] ZINC000902162728 807369854 /nfs/dbraw/zinc/36/98/54/807369854.db2.gz UPRNLSXXUWNSLB-GHMZBOCLSA-N -1 0 318.395 -0.019 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCCCS2(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000902162729 807369957 /nfs/dbraw/zinc/36/99/57/807369957.db2.gz UPRNLSXXUWNSLB-QWRGUYRKSA-N -1 0 318.395 -0.019 20 0 DBADRM COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)CSCC(=O)[O-] ZINC000902272778 807370604 /nfs/dbraw/zinc/37/06/04/807370604.db2.gz YSCPSNZALQXKPV-PELKAZGASA-N -1 0 305.352 -0.017 20 0 DBADRM COC[C@@]1(C)CN(C(=O)c2cccn(CC(=O)[O-])c2=O)CCO1 ZINC000902257876 807370801 /nfs/dbraw/zinc/37/08/01/807370801.db2.gz NOLALGCRDBULQR-OAHLLOKOSA-N -1 0 324.333 -0.190 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)/C=C2/SCC(=O)N2C)C1 ZINC000902305083 807371971 /nfs/dbraw/zinc/37/19/71/807371971.db2.gz PNJYJRFICISZSN-KKNAONHISA-N -1 0 314.363 -0.017 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)CCN2CCOC2=O)C1 ZINC000902310765 807371977 /nfs/dbraw/zinc/37/19/77/807371977.db2.gz MDCQTVMUBGFLAB-ZDUSSCGKSA-N -1 0 300.311 -0.222 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CCc3cncn3C2)CC1 ZINC000902770165 807380914 /nfs/dbraw/zinc/38/09/14/807380914.db2.gz FOFYHJQUQRKWSA-SNVBAGLBSA-N -1 0 306.322 -0.799 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H]1[C@@H]3COC[C@@H]31)C[C@H]2C(=O)[O-] ZINC000902742334 807380970 /nfs/dbraw/zinc/38/09/70/807380970.db2.gz ODBXMVDFHROBBB-XMSZTSPKSA-N -1 0 323.345 -0.009 20 0 DBADRM CCOC1CC2(C[C@@H]2C(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC000902772902 807381703 /nfs/dbraw/zinc/38/17/03/807381703.db2.gz LLCFREWFXKZNFH-LOIXOFCESA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@]1(Br)C[C@@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000902771360 807381818 /nfs/dbraw/zinc/38/18/18/807381818.db2.gz DKMWMTHQDPZAPJ-RDDDGLTNSA-N -1 0 319.155 -0.085 20 0 DBADRM CC[C@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)N1CCCC1=O ZINC000902782277 807382419 /nfs/dbraw/zinc/38/24/19/807382419.db2.gz CCNHDPHRCKLNPD-SNVBAGLBSA-N -1 0 311.338 -0.857 20 0 DBADRM CN(C(=O)CN1c2c(cnn2C)C([O-])=CS1(=O)=O)C1CC1 ZINC000902830287 807382578 /nfs/dbraw/zinc/38/25/78/807382578.db2.gz PUXCZCUUDYCBOY-UHFFFAOYSA-N -1 0 312.351 -0.627 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000902999427 807384558 /nfs/dbraw/zinc/38/45/58/807384558.db2.gz OLNHOPXHDFTIGS-WPRPVWTQSA-N -1 0 310.347 -0.161 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCC1SCCS1 ZINC001328151290 807385082 /nfs/dbraw/zinc/38/50/82/807385082.db2.gz ANGQTDQMXXHJLV-UHFFFAOYSA-N -1 0 321.424 -0.517 20 0 DBADRM CO[C@@]1(CNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCSC1 ZINC000903064821 807387019 /nfs/dbraw/zinc/38/70/19/807387019.db2.gz OZLXQUCVKHALMA-MWLCHTKSSA-N -1 0 324.424 -0.108 20 0 DBADRM CC[C@@H]1CN(S(=O)(=O)N2CCOCC2)C[C@@]1(F)C(=O)[O-] ZINC000903026964 807387565 /nfs/dbraw/zinc/38/75/65/807387565.db2.gz XGBZMQAKKASHRF-KOLCDFICSA-N -1 0 310.347 -0.302 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000903547833 807394794 /nfs/dbraw/zinc/39/47/94/807394794.db2.gz WGTXRSKWCYQECJ-ZSOJELSESA-N -1 0 316.379 -0.207 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@@H]2COCC[C@@H]21 ZINC000903547207 807394834 /nfs/dbraw/zinc/39/48/34/807394834.db2.gz SAXYEMPDVQXAQP-VHSXEESVSA-N -1 0 308.356 -0.873 20 0 DBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000903547831 807394954 /nfs/dbraw/zinc/39/49/54/807394954.db2.gz WGTXRSKWCYQECJ-IWTNGPMKSA-N -1 0 316.379 -0.207 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCO[C@@H]1CC1(F)F ZINC001328242265 807398380 /nfs/dbraw/zinc/39/83/80/807398380.db2.gz UQBYKRZQSHEUGN-DTWKUNHWSA-N -1 0 308.281 -0.389 20 0 DBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)CC1(F)CCC1 ZINC000903840323 807417952 /nfs/dbraw/zinc/41/79/52/807417952.db2.gz GRYBCSWFMLGADE-CVJBHZAOSA-N -1 0 313.372 -0.274 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)[N-]OCC1CC1 ZINC001328394944 807421749 /nfs/dbraw/zinc/42/17/49/807421749.db2.gz LTSLWVYTNRJIKO-UHFFFAOYSA-N -1 0 301.324 -0.687 20 0 DBADRM Cn1ccc(NC(=O)C(=O)N(CCC(=O)[O-])C2CCOCC2)n1 ZINC001328400993 807422748 /nfs/dbraw/zinc/42/27/48/807422748.db2.gz PRFUDKSJOIGJBB-UHFFFAOYSA-N -1 0 324.337 -0.159 20 0 DBADRM Cc1noc(CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)n1 ZINC001328446089 807427955 /nfs/dbraw/zinc/42/79/55/807427955.db2.gz VFJDXFYFYAUWDL-UHFFFAOYSA-N -1 0 310.310 -0.292 20 0 DBADRM CCN(C(=O)C(=O)NCCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001328449335 807427964 /nfs/dbraw/zinc/42/79/64/807427964.db2.gz CIZVHYQREIECLJ-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM CCN1CCN(C(=O)C(=O)N(CCOC)CCC(=O)[O-])CC1 ZINC000904940176 807427920 /nfs/dbraw/zinc/42/79/20/807427920.db2.gz SMOXFVSVAXBVCN-UHFFFAOYSA-N -1 0 315.370 -0.900 20 0 DBADRM C[C@H]1CSCCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000904943269 807427939 /nfs/dbraw/zinc/42/79/39/807427939.db2.gz LTSSCOBPKFHGLY-UWVGGRQHSA-N -1 0 316.379 -0.348 20 0 DBADRM CC[C@@H]1COCCN1C(=O)C(=O)N(CCOC)CCC(=O)[O-] ZINC000904937162 807427967 /nfs/dbraw/zinc/42/79/67/807427967.db2.gz VYOCOXYKSYTRMK-LLVKDONJSA-N -1 0 316.354 -0.427 20 0 DBADRM CCO[C@H]1CCN(C(=O)C(=O)N(CCOC)CCC(=O)[O-])C1 ZINC000904944353 807428744 /nfs/dbraw/zinc/42/87/44/807428744.db2.gz XPPLRLSNENWPIV-NSHDSACASA-N -1 0 316.354 -0.427 20 0 DBADRM CC(C)(C)n1nnc(CNC(=O)c2c[n-]n3c2nccc3=O)n1 ZINC001328464783 807430809 /nfs/dbraw/zinc/43/08/09/807430809.db2.gz DDHCSHNZDULSMB-UHFFFAOYSA-N -1 0 316.325 -0.306 20 0 DBADRM O=C([O-])CCN(C(=O)CN1C(=O)CNC1=O)C1CCOCC1 ZINC001328477819 807431785 /nfs/dbraw/zinc/43/17/85/807431785.db2.gz KWPKLPXAAUNFGU-UHFFFAOYSA-N -1 0 313.310 -0.980 20 0 DBADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000905272867 807451398 /nfs/dbraw/zinc/45/13/98/807451398.db2.gz LFKKEXFLSDTIKD-BBBLOLIVSA-N -1 0 304.368 -0.126 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)[N-]OC1CCCCC1 ZINC001328875073 807481579 /nfs/dbraw/zinc/48/15/79/807481579.db2.gz RUSMDDGMLHUWRY-SECBINFHSA-N -1 0 306.384 -0.084 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCN(CC(F)F)CC1 ZINC000906457403 807485474 /nfs/dbraw/zinc/48/54/74/807485474.db2.gz QNFHJRCDLXFMJV-UHFFFAOYSA-N -1 0 319.312 -0.121 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)c1cnccc1C ZINC001328944311 807492419 /nfs/dbraw/zinc/49/24/19/807492419.db2.gz RJHDFZOSRBORDW-SNVBAGLBSA-N -1 0 308.338 -0.249 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@H](OC)C12CCC2 ZINC001328963816 807495804 /nfs/dbraw/zinc/49/58/04/807495804.db2.gz DVIVIFUMTUOLKV-UWVGGRQHSA-N -1 0 313.354 -0.756 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)NCCCn2cncn2)CC1 ZINC001328965559 807496838 /nfs/dbraw/zinc/49/68/38/807496838.db2.gz KQTAEHJURWLXFB-UHFFFAOYSA-N -1 0 309.326 -0.892 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](OCC)C1 ZINC001328998579 807503405 /nfs/dbraw/zinc/50/34/05/807503405.db2.gz JATHJBZXHTZOSO-SNVBAGLBSA-N -1 0 301.343 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@@H](CC)CSC ZINC001328999447 807503879 /nfs/dbraw/zinc/50/38/79/807503879.db2.gz LKGWOVPVSYKUHI-VIFPVBQESA-N -1 0 305.400 -0.230 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccc(O)cc1 ZINC001329002002 807504489 /nfs/dbraw/zinc/50/44/89/807504489.db2.gz YIYCDYDYVVQAHE-UHFFFAOYSA-N -1 0 309.322 -0.466 20 0 DBADRM Cc1cc(NCCNC(=O)c2c[n-]n3c2nccc3=O)n(C)n1 ZINC001329067532 807513922 /nfs/dbraw/zinc/51/39/22/807513922.db2.gz VSEAOOHXUXPCIM-UHFFFAOYSA-N -1 0 315.337 -0.094 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1)C(=O)[O-] ZINC001329113346 807523264 /nfs/dbraw/zinc/52/32/64/807523264.db2.gz JFLJZQVVKLSRHW-VHSXEESVSA-N -1 0 324.337 -0.305 20 0 DBADRM Cc1nc2c(c(=O)[nH]1)CN(S(=O)(=O)N1CCOCC1)C2 ZINC000907375386 807525805 /nfs/dbraw/zinc/52/58/05/807525805.db2.gz MLISSOBWNUMXIO-UHFFFAOYSA-N -1 0 300.340 -0.617 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC(C)(O)CC2)CC[C@@H]1C(=O)[O-] ZINC001329161773 807531023 /nfs/dbraw/zinc/53/10/23/807531023.db2.gz BNMXZSIEDPMDFV-QWRGUYRKSA-N -1 0 312.366 -0.071 20 0 DBADRM CCN1CCO[C@@H](C(=O)N2CCSC[C@H]2c2nnn[n-]2)C1 ZINC000907476658 807531384 /nfs/dbraw/zinc/53/13/84/807531384.db2.gz RACILRDFYUABSB-VHSXEESVSA-N -1 0 312.399 -0.463 20 0 DBADRM CN(CC(=O)N1CCSC[C@@H]1c1nnn[n-]1)C(=O)C1CC1 ZINC000907476550 807531519 /nfs/dbraw/zinc/53/15/19/807531519.db2.gz QQKFGDLEWUUCEJ-SECBINFHSA-N -1 0 310.383 -0.315 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CCSC[C@@H]2c2nnn[n-]2)C1 ZINC000907476659 807531827 /nfs/dbraw/zinc/53/18/27/807531827.db2.gz RACILRDFYUABSB-ZJUUUORDSA-N -1 0 312.399 -0.463 20 0 DBADRM COCCCO[N-]C(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC001329215692 807539907 /nfs/dbraw/zinc/53/99/07/807539907.db2.gz ZMAIBDVNTRVWFS-UHFFFAOYSA-N -1 0 307.310 -0.635 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCn3cnnc3C2)CC[C@@H]1C(=O)[O-] ZINC001329235697 807542596 /nfs/dbraw/zinc/54/25/96/807542596.db2.gz KDHFHZOHUWHGSV-UWVGGRQHSA-N -1 0 321.337 -0.811 20 0 DBADRM O=C(CN1CSCCSC1)NCCc1nc(=O)o[n-]1 ZINC000907827880 807555423 /nfs/dbraw/zinc/55/54/23/807555423.db2.gz OPBNNXFYOAGVHI-UHFFFAOYSA-N -1 0 304.397 -0.281 20 0 DBADRM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000907846549 807556409 /nfs/dbraw/zinc/55/64/09/807556409.db2.gz IQZBTTWDKCOMDR-IVZWLZJFSA-N -1 0 304.368 -0.411 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCc2cnn(C)c2)CC[C@H]1C(=O)[O-] ZINC001329434223 807564858 /nfs/dbraw/zinc/56/48/58/807564858.db2.gz QRYXQMGKRCHYEJ-CMPLNLGQSA-N -1 0 322.365 -0.352 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CCCCC(=O)[O-] ZINC001329501024 807578006 /nfs/dbraw/zinc/57/80/06/807578006.db2.gz XYCHFCQAMWSPFC-JTQLQIEISA-N -1 0 313.354 -0.515 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000908659394 807601529 /nfs/dbraw/zinc/60/15/29/807601529.db2.gz BKPJBMFYAVLZQA-SECBINFHSA-N -1 0 307.372 -0.810 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC000908713439 807601954 /nfs/dbraw/zinc/60/19/54/807601954.db2.gz TYYCNAUVUSDBIW-UHFFFAOYSA-N -1 0 316.379 -0.265 20 0 DBADRM CCCN(C(=O)NC[C@@H]1COCCO1)[C@H](COC)C(=O)[O-] ZINC000908689587 807602061 /nfs/dbraw/zinc/60/20/61/807602061.db2.gz URESHZWELMEQIA-GHMZBOCLSA-N -1 0 304.343 -0.077 20 0 DBADRM CCCN(C(=O)NC[C@H]1COCCO1)[C@H](COC)C(=O)[O-] ZINC000908689590 807602271 /nfs/dbraw/zinc/60/22/71/807602271.db2.gz URESHZWELMEQIA-WDEREUQCSA-N -1 0 304.343 -0.077 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)NC[C@@H]1COCCO1 ZINC000908686534 807602669 /nfs/dbraw/zinc/60/26/69/807602669.db2.gz CVFMYJOSOIHPBA-MNOVXSKESA-N -1 0 304.343 -0.079 20 0 DBADRM CC(C)CN(CC(=O)[O-])C(=O)CN1CCCCS1(=O)=O ZINC000908882934 807604242 /nfs/dbraw/zinc/60/42/42/807604242.db2.gz RRBPAWDJRVEYMU-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM CC(C)N(CCC(=O)[O-])C(=O)CN(C)S(=O)(=O)N(C)C ZINC000908962880 807606483 /nfs/dbraw/zinc/60/64/83/807606483.db2.gz SETLMAHIPCZLPE-UHFFFAOYSA-N -1 0 309.388 -0.564 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@@H](O)C1CCC1 ZINC000909198966 807611695 /nfs/dbraw/zinc/61/16/95/807611695.db2.gz IKBSTZWAXFPMET-ZDUSSCGKSA-N -1 0 312.366 -0.071 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CN(C)S(=O)(=O)N(C)C ZINC000909311041 807613455 /nfs/dbraw/zinc/61/34/55/807613455.db2.gz IMCBJDGZMRINDK-SECBINFHSA-N -1 0 309.388 -0.564 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCOC3(CCOCC3)C2)n1 ZINC000909729852 807616283 /nfs/dbraw/zinc/61/62/83/807616283.db2.gz VMAWELSRYXWNTG-UHFFFAOYSA-N -1 0 309.322 -0.011 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CN1CCCCS1(=O)=O ZINC000909807687 807617700 /nfs/dbraw/zinc/61/77/00/807617700.db2.gz UPZDBYBNOULILV-VHSXEESVSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC2=C(CCC(=O)N2)C1)C(=O)[O-] ZINC001329822380 807624973 /nfs/dbraw/zinc/62/49/73/807624973.db2.gz BLVLGVYVWPXILF-MRVPVSSYSA-N -1 0 309.322 -0.780 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)[N-]OCCSC)[C@H]1OC ZINC001329834041 807627248 /nfs/dbraw/zinc/62/72/48/807627248.db2.gz LISMPEJLNGNIIB-IVZWLZJFSA-N -1 0 306.384 -0.294 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001329946680 807645629 /nfs/dbraw/zinc/64/56/29/807645629.db2.gz XOSPAQWEJKAJRO-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2ccn(C3CCOCC3)n2)C1=O ZINC001329964077 807650703 /nfs/dbraw/zinc/65/07/03/807650703.db2.gz DMRZRJBGHZJMHZ-UHFFFAOYSA-N -1 0 307.310 -0.227 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccc(C=O)cc1 ZINC001329985866 807655198 /nfs/dbraw/zinc/65/51/98/807655198.db2.gz QCXGWQRGLZZDNK-UHFFFAOYSA-N -1 0 312.347 -0.376 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@H](O)CC(F)(F)F ZINC000923251045 807655529 /nfs/dbraw/zinc/65/55/29/807655529.db2.gz XEVDZPFBYCEPOU-RNFRBKRXSA-N -1 0 305.274 -0.517 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@H](O)CC(F)(F)F ZINC000923251047 807655583 /nfs/dbraw/zinc/65/55/83/807655583.db2.gz XEVDZPFBYCEPOU-RQJHMYQMSA-N -1 0 305.274 -0.517 20 0 DBADRM COc1cc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])sn1 ZINC000923251110 807655620 /nfs/dbraw/zinc/65/56/20/807655620.db2.gz XZGOQJNUFVWMNH-QMMMGPOBSA-N -1 0 306.365 -0.165 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H](n1cccn1)C(F)(F)F ZINC000923394136 807663357 /nfs/dbraw/zinc/66/33/57/807663357.db2.gz CMIDSBYXWGOVQR-SSDOTTSWSA-N -1 0 309.248 -0.037 20 0 DBADRM CCOC(Cn1cc(C(=O)[N-]N2CCOC2=O)nn1)OCC ZINC001330228376 807687968 /nfs/dbraw/zinc/68/79/68/807687968.db2.gz ZPKVSNAIEMEXRH-UHFFFAOYSA-N -1 0 313.314 -0.226 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001330253533 807690177 /nfs/dbraw/zinc/69/01/77/807690177.db2.gz MNTDXNKOMQYMCR-GQCTYLIASA-N -1 0 316.335 -0.001 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC001330483468 807722074 /nfs/dbraw/zinc/72/20/74/807722074.db2.gz SBRUXXSDWYORCS-ARNPGYACSA-N -1 0 303.384 -0.251 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1nn(C)cc1C(F)F ZINC001330495257 807723773 /nfs/dbraw/zinc/72/37/73/807723773.db2.gz AVYQPGDHYCQTSP-UHFFFAOYSA-N -1 0 306.269 -0.332 20 0 DBADRM COC[C@H]1COCCN1C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000926276448 807757215 /nfs/dbraw/zinc/75/72/15/807757215.db2.gz JJHJYKUCMBVLHV-OUAUKWLOSA-N -1 0 314.338 -0.961 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CO)C2)C[C@H]1C1CC1 ZINC000926282264 807757317 /nfs/dbraw/zinc/75/73/17/807757317.db2.gz CKDGWIDXCKVSDA-KGYLQXTDSA-N -1 0 324.377 -0.214 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@@H](CO)C2)C1 ZINC000926327327 807759508 /nfs/dbraw/zinc/75/95/08/807759508.db2.gz UYMYUUIIMCKLPI-IAQYHMDHSA-N -1 0 312.366 -0.069 20 0 DBADRM CN(CC1(CO)CC1)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926334629 807760967 /nfs/dbraw/zinc/76/09/67/807760967.db2.gz KQPFUBSKIMLWEB-NWDGAFQWSA-N -1 0 324.377 -0.214 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CC[C@H]([C@H]2CCCO2)C1 ZINC001331081845 807768305 /nfs/dbraw/zinc/76/83/05/807768305.db2.gz XIMGVJDXSPMQPI-NNYUYHANSA-N -1 0 310.350 -0.007 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(C)C[C@H](C)O)C1 ZINC000926406461 807769508 /nfs/dbraw/zinc/76/95/08/807769508.db2.gz CCSGCMHUVSRSAW-IINYFYTJSA-N -1 0 300.355 -0.071 20 0 DBADRM CNC(=O)c1ccc(CN(C)C(=O)NCC(=O)[N-]OC)cc1 ZINC000927205747 807783242 /nfs/dbraw/zinc/78/32/42/807783242.db2.gz UMARZBBXJXDQKJ-UHFFFAOYSA-N -1 0 308.338 -0.135 20 0 DBADRM CCCC(=O)N[C@H]1CCCN(C(=O)NCC(=O)[N-]OC)C1 ZINC000927207927 807783544 /nfs/dbraw/zinc/78/35/44/807783544.db2.gz NQFVWCWNHFRYBK-JTQLQIEISA-N -1 0 300.359 -0.246 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000927207513 807783818 /nfs/dbraw/zinc/78/38/18/807783818.db2.gz UAMCKHZLFOQHPK-NSHDSACASA-N -1 0 300.359 -0.830 20 0 DBADRM CCCC(=O)NC1CCN(C(=O)NCC(=O)[N-]OC)CC1 ZINC000927208006 807783879 /nfs/dbraw/zinc/78/38/79/807783879.db2.gz WBMGODNAHXITJR-UHFFFAOYSA-N -1 0 300.359 -0.246 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC000927205029 807783891 /nfs/dbraw/zinc/78/38/91/807783891.db2.gz PLHREZCMCHEIGN-UHFFFAOYSA-N -1 0 313.358 -0.793 20 0 DBADRM CCCNC(=O)[C@@H]1CCCN(C(=O)NCC(=O)[N-]OC)C1 ZINC000927209127 807783897 /nfs/dbraw/zinc/78/38/97/807783897.db2.gz WYRZFOGXLMONKO-SNVBAGLBSA-N -1 0 300.359 -0.388 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCCC[C@H]1CN1CCCC1=O ZINC000927211531 807784440 /nfs/dbraw/zinc/78/44/40/807784440.db2.gz MTEPCCRWEWSKFJ-NSHDSACASA-N -1 0 312.370 -0.150 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(c2ncccc2F)CC1 ZINC000927212161 807784728 /nfs/dbraw/zinc/78/47/28/807784728.db2.gz IYMUYYZDHBIDQL-UHFFFAOYSA-N -1 0 311.317 -0.270 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000927212302 807785033 /nfs/dbraw/zinc/78/50/33/807785033.db2.gz RYTPISRETJRMJV-LLVKDONJSA-N -1 0 312.370 -0.292 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000927216693 807785757 /nfs/dbraw/zinc/78/57/57/807785757.db2.gz DCNHOUOKZSPJRO-UHFFFAOYSA-N -1 0 307.354 -0.414 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H](CO)c1ccc(F)cc1F ZINC000927216188 807786020 /nfs/dbraw/zinc/78/60/20/807786020.db2.gz QBONDPJRYIASAO-JTQLQIEISA-N -1 0 303.265 -0.025 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCSC[C@H](C(=O)OC)C1 ZINC000927216050 807786106 /nfs/dbraw/zinc/78/61/06/807786106.db2.gz JXIGRBKESCTJGP-MRVPVSSYSA-N -1 0 305.356 -0.788 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(C)[C@@H](c2nccn2C)C1 ZINC000927217941 807786886 /nfs/dbraw/zinc/78/68/86/807786886.db2.gz RLRMYMZWHUIHIR-SNVBAGLBSA-N -1 0 310.358 -0.904 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C ZINC000927217739 807787070 /nfs/dbraw/zinc/78/70/70/807787070.db2.gz QHZVFJPLKKFVBU-ZDUSSCGKSA-N -1 0 320.349 -0.145 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@H]1CN(C(C)=O)C1CC1 ZINC000927217006 807787102 /nfs/dbraw/zinc/78/71/02/807787102.db2.gz HVOQUFWVYSJNQO-LBPRGKRZSA-N -1 0 312.370 -0.151 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CC[C@]2(C1)c1ccccc1NC2=O ZINC000927217055 807787195 /nfs/dbraw/zinc/78/71/95/807787195.db2.gz JCLDCJNLBCKUAR-HNNXBMFYSA-N -1 0 318.333 -0.031 20 0 DBADRM C[C@@H](C(=O)[N-]OC(C)(C)CO)S(=O)(=O)C1CCOCC1 ZINC001331393626 807792136 /nfs/dbraw/zinc/79/21/36/807792136.db2.gz PAQYKYYBCWETGX-VIFPVBQESA-N -1 0 309.384 -0.213 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[C@H]1CCSC1 ZINC001331456820 807792970 /nfs/dbraw/zinc/79/29/70/807792970.db2.gz AJDRALZJRKDTLF-VIFPVBQESA-N -1 0 303.384 -0.570 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC001331523960 807795609 /nfs/dbraw/zinc/79/56/09/807795609.db2.gz ZZENQHDSIODUJG-YFKTTZPYSA-N -1 0 310.350 -0.007 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(F)F)C1)C(=O)[O-] ZINC000927961552 807800919 /nfs/dbraw/zinc/80/09/19/807800919.db2.gz YRZGLEDWXSDAKP-JGVFFNPUSA-N -1 0 308.281 -0.294 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CCOCCO)CC[C@H]1C(=O)[O-] ZINC001331845961 807842975 /nfs/dbraw/zinc/84/29/75/807842975.db2.gz AVDHHJOFDBBMGU-GHMZBOCLSA-N -1 0 316.354 -0.977 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001332167163 807880394 /nfs/dbraw/zinc/88/03/94/807880394.db2.gz PHTWLXRSOGIECD-DDIVZENXSA-N -1 0 310.350 -0.149 20 0 DBADRM COC/C(C)=C\C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001332208471 807884514 /nfs/dbraw/zinc/88/45/14/807884514.db2.gz PRICCCVQPFBBHD-XFXZXTDPSA-N -1 0 300.355 -0.176 20 0 DBADRM CSCCO[N-]C(=O)C(=O)Nc1cc2n(n1)CCN(C)C2 ZINC001332327803 807900128 /nfs/dbraw/zinc/90/01/28/807900128.db2.gz JCEWGQKLQORJDM-UHFFFAOYSA-N -1 0 313.383 -0.322 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC[S@@](=O)CC(F)(F)F ZINC001332364283 807905731 /nfs/dbraw/zinc/90/57/31/807905731.db2.gz MORNAGOSOPRTEV-LJQANCHMSA-N -1 0 305.278 -0.726 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1ccc2c(c1)ncn2C ZINC000931621739 807927711 /nfs/dbraw/zinc/92/77/11/807927711.db2.gz VAMITWXCOVUXRY-UHFFFAOYSA-N -1 0 306.322 -0.116 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2[C@H](C)C(=O)N(C)C)c1[O-] ZINC001038164228 815160530 /nfs/dbraw/zinc/16/05/30/815160530.db2.gz GDUOPUBSSJOZDE-ZJUUUORDSA-N -1 0 309.370 -0.295 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCOC[C@H]1C[C@H]1CCCO1 ZINC000931678903 807934730 /nfs/dbraw/zinc/93/47/30/807934730.db2.gz HPZJTAKIMXADIE-GHMZBOCLSA-N -1 0 310.358 -0.083 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2Cc2cnnn2C)c1[O-] ZINC001038166125 815160826 /nfs/dbraw/zinc/16/08/26/815160826.db2.gz WGDUPHJTURPMNL-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM COc1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)on1 ZINC001038168494 815161013 /nfs/dbraw/zinc/16/10/13/815161013.db2.gz CJWBYIDUMWTMEQ-SSDOTTSWSA-N -1 0 308.298 -0.489 20 0 DBADRM CN(CC(=O)[N-]OCc1ccccn1)[C@H]1CCS(=O)(=O)C1 ZINC001332612992 807950030 /nfs/dbraw/zinc/95/00/30/807950030.db2.gz AFQCCOTXZQEOPZ-LBPRGKRZSA-N -1 0 313.379 -0.252 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2ccccc2)CC1 ZINC000932643524 807975671 /nfs/dbraw/zinc/97/56/71/807975671.db2.gz YCZPYOOMZHAAKY-UHFFFAOYSA-N -1 0 320.349 -0.871 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC001332781706 807978148 /nfs/dbraw/zinc/97/81/48/807978148.db2.gz AKBMTPSUAPOXCB-VHSXEESVSA-N -1 0 311.363 -0.096 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001332787785 807978921 /nfs/dbraw/zinc/97/89/21/807978921.db2.gz FPODTXPBXZFSBW-NWDGAFQWSA-N -1 0 323.324 -0.018 20 0 DBADRM CCCN(CC(C)(C)O)C(=O)C(=O)NCC(=O)[N-]OCC ZINC001332843141 807986898 /nfs/dbraw/zinc/98/68/98/807986898.db2.gz OKXRMQZPLZRGTI-UHFFFAOYSA-N -1 0 303.359 -0.820 20 0 DBADRM COCCc1cc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])n(C)n1 ZINC001332944978 807999303 /nfs/dbraw/zinc/99/93/03/807999303.db2.gz DQFADQJRANDTPJ-QMMMGPOBSA-N -1 0 312.326 -0.616 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCc1nnc2n1CCC2)C(=O)[O-] ZINC001332947110 807999627 /nfs/dbraw/zinc/99/96/27/807999627.db2.gz SUCBVCFMFADFMU-VIFPVBQESA-N -1 0 323.353 -0.687 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(C)cc1 ZINC001333112455 808016728 /nfs/dbraw/zinc/01/67/28/808016728.db2.gz ZTYPYKKYJSRWNX-NWDGAFQWSA-N -1 0 305.334 -0.239 20 0 DBADRM COC(=O)N1CC(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC000934962754 808032310 /nfs/dbraw/zinc/03/23/10/808032310.db2.gz CRCAUSDYROUNAA-UHFFFAOYSA-N -1 0 310.354 -0.058 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC001333275175 808037719 /nfs/dbraw/zinc/03/77/19/808037719.db2.gz HWKJDULUHWNXLP-LBPRGKRZSA-N -1 0 305.334 -0.108 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC=C(c2ccccc2)C1 ZINC001333295238 808040336 /nfs/dbraw/zinc/04/03/36/808040336.db2.gz GCJJYNAVEDZOOP-UHFFFAOYSA-N -1 0 303.318 -0.294 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN3CCOC[C@@H]3C2)cc1=O ZINC000935366825 808043722 /nfs/dbraw/zinc/04/37/22/808043722.db2.gz CUDLGHRTMVSGGI-AWEZNQCLSA-N -1 0 322.409 -0.082 20 0 DBADRM COCCC1CCN(C(=O)C(=O)NCC(=O)[N-]OC)CC1 ZINC001333334208 808045067 /nfs/dbraw/zinc/04/50/67/808045067.db2.gz HMAYSUHXVZVNMU-UHFFFAOYSA-N -1 0 301.343 -0.945 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)[N-]OC2CCOCC2)C1=O ZINC000935454838 808046232 /nfs/dbraw/zinc/04/62/32/808046232.db2.gz AGZICGPUSJALSL-LLVKDONJSA-N -1 0 314.338 -0.375 20 0 DBADRM COc1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)sn1 ZINC001038267334 815172541 /nfs/dbraw/zinc/17/25/41/815172541.db2.gz SHGOEBQDQLEOCT-ZETCQYMHSA-N -1 0 324.366 -0.020 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(F)(C2CC2)CC1 ZINC001333597581 808079320 /nfs/dbraw/zinc/07/93/20/808079320.db2.gz DZMKTSHKFBLYLK-UHFFFAOYSA-N -1 0 315.345 -0.089 20 0 DBADRM O=C(CN1CCCCC1=O)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000938238190 808086406 /nfs/dbraw/zinc/08/64/06/808086406.db2.gz HEQOBDJPYRNPTN-JTQLQIEISA-N -1 0 320.353 -0.852 20 0 DBADRM Cn1cc(C(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)C2)c(Cl)n1 ZINC000938238426 808086836 /nfs/dbraw/zinc/08/68/36/808086836.db2.gz KUSUCYAIIPJBOS-ZETCQYMHSA-N -1 0 323.744 -0.164 20 0 DBADRM Cn1cccc(C(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)C2)c1=O ZINC000938238139 808087145 /nfs/dbraw/zinc/08/71/45/808087145.db2.gz FQZGAGVICHVJSB-VIFPVBQESA-N -1 0 316.321 -0.852 20 0 DBADRM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)C2)cnn1 ZINC000938238264 808087408 /nfs/dbraw/zinc/08/74/08/808087408.db2.gz SLAQEVNPGKMTAA-JTQLQIEISA-N -1 0 301.310 -0.452 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000938238235 808087749 /nfs/dbraw/zinc/08/77/49/808087749.db2.gz JBLWPHOLDDLGBA-UWVGGRQHSA-N -1 0 320.353 -0.806 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@](C)(C(F)(F)F)C1 ZINC001333775560 808096031 /nfs/dbraw/zinc/09/60/31/808096031.db2.gz QIYOYUNWVYLEHD-JTQLQIEISA-N -1 0 311.260 -0.419 20 0 DBADRM O=C(NC[C@H]1CSCCS1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001333827987 808101598 /nfs/dbraw/zinc/10/15/98/808101598.db2.gz FATFTTUXPZMHTP-YIZRAAEISA-N -1 0 318.420 -0.069 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCCC[C@@H](NC(=O)C2CC2)C1 ZINC000943018297 808108029 /nfs/dbraw/zinc/10/80/29/808108029.db2.gz VKDXTSUAVQLQGZ-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC1(c2cccc(F)c2)CC1 ZINC001334084890 808131301 /nfs/dbraw/zinc/13/13/01/808131301.db2.gz VTKSKPOOCKZQAI-UHFFFAOYSA-N -1 0 323.324 -0.233 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cc2n(n1)CCC2 ZINC001038321041 815177816 /nfs/dbraw/zinc/17/78/16/815177816.db2.gz DUPMYXNNYKSVSR-JTQLQIEISA-N -1 0 317.353 -0.343 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC001334223024 808143758 /nfs/dbraw/zinc/14/37/58/808143758.db2.gz MNXYCACJBFCNTA-LBPRGKRZSA-N -1 0 321.381 -0.174 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCS[C@@H](C)C1 ZINC001334322475 808152322 /nfs/dbraw/zinc/15/23/22/808152322.db2.gz CXRVDYILMYNFIO-IUCAKERBSA-N -1 0 303.384 -0.429 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001334387991 808159546 /nfs/dbraw/zinc/15/95/46/808159546.db2.gz UTZQWSCVXOKHMJ-OZVIIMIRSA-N -1 0 324.377 -0.071 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CCNC2=O)ccc1[O-] ZINC001334403985 808161111 /nfs/dbraw/zinc/16/11/11/808161111.db2.gz CGSUQRWNLVXNAX-MRVPVSSYSA-N -1 0 313.335 -0.625 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1=O ZINC001334406127 808161932 /nfs/dbraw/zinc/16/19/32/808161932.db2.gz ZCWCETQYIVYWTM-CLAHSXSESA-N -1 0 321.337 -0.282 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC1CCC(SC)CC1 ZINC001334416011 808162754 /nfs/dbraw/zinc/16/27/54/808162754.db2.gz SUDWIZUQDFPOPE-UHFFFAOYSA-N -1 0 317.411 -0.182 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cnc2n1CCC2 ZINC001038358963 815180755 /nfs/dbraw/zinc/18/07/55/815180755.db2.gz KQRHXFPKIAQHLH-VIFPVBQESA-N -1 0 317.353 -0.343 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC(OC(C)(C)C)CC1 ZINC001334508012 808173999 /nfs/dbraw/zinc/17/39/99/808173999.db2.gz ASQUYMFRUHRYFC-UHFFFAOYSA-N -1 0 315.370 -0.414 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCO[C@H](C(F)F)CC1 ZINC001334557444 808177058 /nfs/dbraw/zinc/17/70/58/808177058.db2.gz AKOTUQQWOHAOCQ-ZETCQYMHSA-N -1 0 306.273 -0.789 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCS[C@H](C(C)C)C1 ZINC001334561360 808178035 /nfs/dbraw/zinc/17/80/35/808178035.db2.gz YFCXMWUYZNHWNO-VIFPVBQESA-N -1 0 300.388 -0.072 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1NC(=O)c1cn[nH]n1 ZINC000947268923 808182691 /nfs/dbraw/zinc/18/26/91/808182691.db2.gz SHSUUOHDAVVPFV-LDYMZIIASA-N -1 0 301.310 -0.515 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC(C)(C)CC(F)F ZINC001334603450 808183269 /nfs/dbraw/zinc/18/32/69/808183269.db2.gz BNWNOUZUCAGZDL-UHFFFAOYSA-N -1 0 309.313 -0.032 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(NC(=O)C(F)F)CC1 ZINC000947659140 808212178 /nfs/dbraw/zinc/21/21/78/808212178.db2.gz FVSXCBWXXFUCLJ-UHFFFAOYSA-N -1 0 319.268 -0.938 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)c1cccc(F)c1F ZINC001334925557 808212937 /nfs/dbraw/zinc/21/29/37/808212937.db2.gz QEZCSMNEXUQRNH-ZETCQYMHSA-N -1 0 315.276 -0.064 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001335040544 808226764 /nfs/dbraw/zinc/22/67/64/808226764.db2.gz HWOFDFUKPFKHGO-RYUDHWBXSA-N -1 0 324.385 -0.006 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2cnon2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947831940 808230337 /nfs/dbraw/zinc/23/03/37/808230337.db2.gz CJNHMINHTATFQP-JGVFFNPUSA-N -1 0 307.314 -0.324 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cnn(CCF)c1 ZINC001038442784 815193970 /nfs/dbraw/zinc/19/39/70/815193970.db2.gz YECLPYXQVAQFKU-JTQLQIEISA-N -1 0 323.332 -0.319 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](OCC2CC2)C1 ZINC001335144206 808244168 /nfs/dbraw/zinc/24/41/68/808244168.db2.gz LFUXTXKPBVISPN-NSHDSACASA-N -1 0 313.354 -0.802 20 0 DBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)[N-]N1CC(=O)N(C)C1=O ZINC001335168735 808246327 /nfs/dbraw/zinc/24/63/27/808246327.db2.gz GBNJTNOAPFMURZ-UHFFFAOYSA-N -1 0 315.307 -0.470 20 0 DBADRM O=C([O-])COCCNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001335430307 808287872 /nfs/dbraw/zinc/28/78/72/808287872.db2.gz FJTKTAQBHMGFFT-GFCCVEGCSA-N -1 0 300.355 -0.153 20 0 DBADRM CC[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@H]1NC(C)=O ZINC000948495634 808292253 /nfs/dbraw/zinc/29/22/53/808292253.db2.gz RRUOQRBLZCMOAQ-VHSXEESVSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC001335689002 808311140 /nfs/dbraw/zinc/31/11/40/808311140.db2.gz BLMPSKXSKXDRKE-XHDPSFHLSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]1CNC(=O)c1ccco1 ZINC000948702310 808319024 /nfs/dbraw/zinc/31/90/24/808319024.db2.gz AJNJSGMSLORVLP-MRVPVSSYSA-N -1 0 321.293 -0.687 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC001335781852 808319531 /nfs/dbraw/zinc/31/95/31/808319531.db2.gz VFMZWXDEGNSBAY-RKDXNWHRSA-N -1 0 303.384 -0.429 20 0 DBADRM O=C(C[C@@H]1CCC(=O)NC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948719458 808320609 /nfs/dbraw/zinc/32/06/09/808320609.db2.gz GPJIOSJFVNAMFJ-JTQLQIEISA-N -1 0 322.369 -0.929 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CC[C@@](OC)(C(F)(F)F)C1 ZINC001335864108 808326667 /nfs/dbraw/zinc/32/66/67/808326667.db2.gz MGNIJHYNRCPCHF-VIFPVBQESA-N -1 0 324.263 -0.492 20 0 DBADRM Cc1conc1CN1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001038459714 815196291 /nfs/dbraw/zinc/19/62/91/815196291.db2.gz QOZLQVKABDYMSL-QMMMGPOBSA-N -1 0 320.309 -0.416 20 0 DBADRM Cc1nocc1CN1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001038460117 815196609 /nfs/dbraw/zinc/19/66/09/815196609.db2.gz SCBQYCBDESJLIH-VIFPVBQESA-N -1 0 320.309 -0.416 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC2(CC2(F)F)CC1 ZINC001336299335 808360477 /nfs/dbraw/zinc/36/04/77/808360477.db2.gz DUHUYBSYJNHMDX-UHFFFAOYSA-N -1 0 305.281 -0.572 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)CCN(C)c1ccccc1 ZINC001336300076 808360588 /nfs/dbraw/zinc/36/05/88/808360588.db2.gz IDONYRNQVRDAES-UHFFFAOYSA-N -1 0 322.365 -0.625 20 0 DBADRM O=C(Cn1nc(-c2ccccc2)oc1=O)NCc1nc(=O)o[n-]1 ZINC001336476380 808379293 /nfs/dbraw/zinc/37/92/93/808379293.db2.gz XMEAZJLYXZASCP-UHFFFAOYSA-N -1 0 317.261 -0.504 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(F)(F)C[C@H]1C ZINC001336538769 808387186 /nfs/dbraw/zinc/38/71/86/808387186.db2.gz WLSIZYQHGUTTAR-MRVPVSSYSA-N -1 0 307.297 -0.184 20 0 DBADRM C[C@H]1CC[C@@H](CN2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)O1 ZINC000949111210 808395784 /nfs/dbraw/zinc/39/57/84/808395784.db2.gz IRDCBMYTZMOZFA-UWVGGRQHSA-N -1 0 323.353 -0.392 20 0 DBADRM O=C(NCC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1)C1CC1 ZINC000949198817 808418292 /nfs/dbraw/zinc/41/82/92/808418292.db2.gz XZQGRJATMXXNFQ-UHFFFAOYSA-N -1 0 321.337 -0.339 20 0 DBADRM CO[C@H](CNC(=O)C(=O)NCCCCC(=O)[O-])[C@@H]1CCOC1 ZINC001336962594 808427643 /nfs/dbraw/zinc/42/76/43/808427643.db2.gz XSAYPQOFPMVOHA-GHMZBOCLSA-N -1 0 316.354 -0.475 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(N(C)C)cc1C ZINC001337060140 808433646 /nfs/dbraw/zinc/43/36/46/808433646.db2.gz FUCNXUAAPGENGX-UHFFFAOYSA-N -1 0 308.338 -0.207 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001337258031 808444614 /nfs/dbraw/zinc/44/46/14/808444614.db2.gz JPNREPASSYDTPM-SDDRHHMPSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]1CNC(=O)C1=CCCC1 ZINC000949376610 808447972 /nfs/dbraw/zinc/44/79/72/808447972.db2.gz IPLFICCGJXARPG-JTQLQIEISA-N -1 0 321.337 -0.483 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC000949400910 808454605 /nfs/dbraw/zinc/45/46/05/808454605.db2.gz QCUNLSCKGCFHLA-UKKRHICBSA-N -1 0 320.349 -0.353 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC000949424714 808458667 /nfs/dbraw/zinc/45/86/67/808458667.db2.gz CRDYQRYCIOYOGG-DTWKUNHWSA-N -1 0 321.337 -0.967 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2cnnn2C)c1[O-] ZINC000949424969 808458734 /nfs/dbraw/zinc/45/87/34/808458734.db2.gz GHRMYZSVAGVPNY-QMMMGPOBSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCCO2)c1[O-] ZINC000949426714 808458781 /nfs/dbraw/zinc/45/87/81/808458781.db2.gz QOOJLKCHRYGREI-UWVGGRQHSA-N -1 0 308.338 -0.067 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2cncnc2)c1[O-] ZINC000949427025 808458821 /nfs/dbraw/zinc/45/88/21/808458821.db2.gz UIUGSGCWZATRMP-JTQLQIEISA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2ccnnc2)c1[O-] ZINC000949431177 808459722 /nfs/dbraw/zinc/45/97/22/808459722.db2.gz VGCJPRSCBWHVFY-SNVBAGLBSA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2cncnc2)c1[O-] ZINC000949427026 808460021 /nfs/dbraw/zinc/46/00/21/808460021.db2.gz UIUGSGCWZATRMP-SNVBAGLBSA-N -1 0 316.321 -0.142 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@@H](OC)C(C)(C)C1 ZINC001337646017 808481572 /nfs/dbraw/zinc/48/15/72/808481572.db2.gz NDPXIMQVJPCKDG-SNVBAGLBSA-N -1 0 312.374 -0.008 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949545651 808483713 /nfs/dbraw/zinc/48/37/13/808483713.db2.gz NVIKYUGHHKYLAE-UHFFFAOYSA-N -1 0 319.369 -0.181 20 0 DBADRM CO[C@H]1Cc2ccc(NC(=O)C(=O)NCc3nnn[n-]3)cc2C1 ZINC001337661463 808484191 /nfs/dbraw/zinc/48/41/91/808484191.db2.gz LCNLFIANEPUXRV-NSHDSACASA-N -1 0 316.321 -0.432 20 0 DBADRM CCN(C(=O)C1CCOCC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949563641 808486749 /nfs/dbraw/zinc/48/67/49/808486749.db2.gz HZPGXBWKAPZZCK-UHFFFAOYSA-N -1 0 309.370 -0.030 20 0 DBADRM CCC(=O)N1CCC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000949573259 808489058 /nfs/dbraw/zinc/48/90/58/808489058.db2.gz VYDWUXMEGDPASQ-SECBINFHSA-N -1 0 308.338 -0.383 20 0 DBADRM O=C(CC1CC1)N1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000949668833 808509436 /nfs/dbraw/zinc/50/94/36/808509436.db2.gz HUIKFJJAMFMCIZ-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2ncn(C)n2)c1[O-] ZINC000949744353 808530230 /nfs/dbraw/zinc/53/02/30/808530230.db2.gz WSHLFNJDSXZIIV-MRVPVSSYSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949745730 808530927 /nfs/dbraw/zinc/53/09/27/808530927.db2.gz YMGXFSFEWSNVMR-UHFFFAOYSA-N -1 0 305.342 -0.490 20 0 DBADRM COCCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC001338386854 808537991 /nfs/dbraw/zinc/53/79/91/808537991.db2.gz BWNYGMPQNISZDR-BDAKNGLRSA-N -1 0 308.356 -0.997 20 0 DBADRM C/C=C(\C)C(=O)NC[C@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001338471107 808547446 /nfs/dbraw/zinc/54/74/46/808547446.db2.gz OANXEPGXZRIBNT-YVFTVSHDSA-N -1 0 310.354 -0.061 20 0 DBADRM CCN(C(=O)[C@@H]1CCNC(=O)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949877690 808558190 /nfs/dbraw/zinc/55/81/90/808558190.db2.gz NBHITGPIYNUAAM-SECBINFHSA-N -1 0 322.369 -0.931 20 0 DBADRM CCN(C(=O)[C@H]1CCNC(=O)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949877691 808558477 /nfs/dbraw/zinc/55/84/77/808558477.db2.gz NBHITGPIYNUAAM-VIFPVBQESA-N -1 0 322.369 -0.931 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCCn1ccnc1 ZINC001338690758 808563945 /nfs/dbraw/zinc/56/39/45/808563945.db2.gz OMOQGDNEAZNVFI-UHFFFAOYSA-N -1 0 301.310 -0.526 20 0 DBADRM CCN(CC)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O ZINC001338922877 808571738 /nfs/dbraw/zinc/57/17/38/808571738.db2.gz QFTYPIJTWLSRCZ-UHFFFAOYSA-N -1 0 320.371 -0.979 20 0 DBADRM O=C(CCn1cncn1)N1CCC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000950036309 808580657 /nfs/dbraw/zinc/58/06/57/808580657.db2.gz MFALWZFMRBJGQO-JTQLQIEISA-N -1 0 318.341 -0.793 20 0 DBADRM CC(C)C(=O)N1CCC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000950075096 808585038 /nfs/dbraw/zinc/58/50/38/808585038.db2.gz HCYVVAUMKFGHLS-JTQLQIEISA-N -1 0 322.365 -0.137 20 0 DBADRM CC(C)(C)c1nsc(NC(=O)C(=O)NCc2nnn[n-]2)n1 ZINC001339329157 808586930 /nfs/dbraw/zinc/58/69/30/808586930.db2.gz ZQLCTOYSAGLNGA-UHFFFAOYSA-N -1 0 310.343 -0.396 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCOC2CCOCC2)CCO1 ZINC001339801633 808604204 /nfs/dbraw/zinc/60/42/04/808604204.db2.gz GOKQFHQNHBMTQP-NSHDSACASA-N -1 0 302.327 -0.323 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2nc3nccc(C)n3n2)C1=O ZINC001339804409 808604469 /nfs/dbraw/zinc/60/44/69/808604469.db2.gz UOBLNMGTJFFOCV-CYBMUJFWSA-N -1 0 317.309 -0.202 20 0 DBADRM CC(C)OCCOC[C@H](O)CN(C)C(=O)c1n[nH]c(=O)[n-]1 ZINC001339907089 808609947 /nfs/dbraw/zinc/60/99/47/808609947.db2.gz KVRGNVGEOAUSBJ-SECBINFHSA-N -1 0 302.331 -0.615 20 0 DBADRM CC(=O)CCC(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC001339933654 808610867 /nfs/dbraw/zinc/61/08/67/808610867.db2.gz RRSNANPBLNGFJO-UHFFFAOYSA-N -1 0 320.352 -0.329 20 0 DBADRM C/C=C(\C)C(=O)N1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000950344629 808634203 /nfs/dbraw/zinc/63/42/03/808634203.db2.gz SXQBWCLSZTYGHS-RZCNENHTSA-N -1 0 323.353 -0.237 20 0 DBADRM C/C=C(\C)C(=O)N1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000950345019 808634517 /nfs/dbraw/zinc/63/45/17/808634517.db2.gz YGTHPYZOEWCWNO-IPQKIJNHSA-N -1 0 321.337 -0.030 20 0 DBADRM C[C@H]1COCC[C@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000950346978 808634639 /nfs/dbraw/zinc/63/46/39/808634639.db2.gz LAAYRGRPICGCFI-WDEREUQCSA-N -1 0 309.370 -0.173 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)c1cc[nH]c1 ZINC000950381978 808638045 /nfs/dbraw/zinc/63/80/45/808638045.db2.gz IBWNQCOPFHVDDT-QMMMGPOBSA-N -1 0 318.293 -0.745 20 0 DBADRM Cn1c(=O)cccc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000950424802 808644990 /nfs/dbraw/zinc/64/49/90/808644990.db2.gz XHNVAEHFLHBTTO-UHFFFAOYSA-N -1 0 318.337 -0.833 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cncnc1C ZINC001340598226 808645723 /nfs/dbraw/zinc/64/57/23/808645723.db2.gz AETSTIBMNOVUST-UHFFFAOYSA-N -1 0 303.340 -0.492 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)C(=O)[N-]OCC(C)C ZINC001340616124 808647848 /nfs/dbraw/zinc/64/78/48/808647848.db2.gz JOXMVDXLZGTAGT-UHFFFAOYSA-N -1 0 323.415 -0.522 20 0 DBADRM Cc1c([C@@H](C)NC(=O)C(=O)[N-]OC[C@H]2CCOC2)cnn1C ZINC001340634575 808648741 /nfs/dbraw/zinc/64/87/41/808648741.db2.gz FOLYLITUEQOXMX-KOLCDFICSA-N -1 0 310.354 -0.010 20 0 DBADRM Cc1c([C@@H](C)NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cnn1C ZINC001340634578 808648825 /nfs/dbraw/zinc/64/88/25/808648825.db2.gz FOLYLITUEQOXMX-MWLCHTKSSA-N -1 0 310.354 -0.010 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](NC(=O)c3cnon3)C2)c1[O-] ZINC000950459025 808649919 /nfs/dbraw/zinc/64/99/19/808649919.db2.gz KOEOTWQPXHUUOX-QMMMGPOBSA-N -1 0 320.309 -0.159 20 0 DBADRM Cn1ncc2c1nc(C=Cc1cn(CC(=O)[O-])nn1)[nH]c2=O ZINC001341213047 808674433 /nfs/dbraw/zinc/67/44/33/808674433.db2.gz SHYPSPIARZNOHN-IHWYPQMZSA-N -1 0 301.266 -0.085 20 0 DBADRM C[C@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC000950624141 808683148 /nfs/dbraw/zinc/68/31/48/808683148.db2.gz ZPFCGQWUIDIVOM-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CC[C@@]2(CCOC2)C1 ZINC001341453751 808685793 /nfs/dbraw/zinc/68/57/93/808685793.db2.gz XDCRURUEYLBKJY-CQSZACIVSA-N -1 0 316.354 -0.074 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCCO[C@@H]2CCOC2)C1 ZINC001341448871 808685829 /nfs/dbraw/zinc/68/58/29/808685829.db2.gz FOONEDYLGIPFPW-BXUZGUMPSA-N -1 0 316.354 -0.075 20 0 DBADRM C[C@H](C(=O)NCc1nc(=O)o[n-]1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001341588181 808691208 /nfs/dbraw/zinc/69/12/08/808691208.db2.gz VGSHPEMFSQPTRI-HLTSFMKQSA-N -1 0 322.321 -0.457 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCSC(C)(C)C1 ZINC001341631188 808693133 /nfs/dbraw/zinc/69/31/33/808693133.db2.gz QZVZGTZXCRCHJE-VIFPVBQESA-N -1 0 317.411 -0.039 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)[N-]OC[C@H]1CCOC1)CC2 ZINC001341736731 808696334 /nfs/dbraw/zinc/69/63/34/808696334.db2.gz NFIFVOUMWLBARQ-WDEREUQCSA-N -1 0 323.353 -0.898 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)[N-]OC[C@H]1CCOC1)CC2 ZINC001341736729 808696860 /nfs/dbraw/zinc/69/68/60/808696860.db2.gz NFIFVOUMWLBARQ-QWRGUYRKSA-N -1 0 323.353 -0.898 20 0 DBADRM Cc1ccc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c(=O)[nH]1 ZINC000950728960 808701842 /nfs/dbraw/zinc/70/18/42/808701842.db2.gz LXDNOJURVKUFNJ-UHFFFAOYSA-N -1 0 318.337 -0.123 20 0 DBADRM CCN1CCC[C@@H](NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)C1=O ZINC001341926577 808705568 /nfs/dbraw/zinc/70/55/68/808705568.db2.gz CUHWTMVXEXZURF-GHMZBOCLSA-N -1 0 313.354 -0.802 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C[C@H](C)OC)C1 ZINC000950766765 808710063 /nfs/dbraw/zinc/71/00/63/808710063.db2.gz WVYMBZDANCSJLW-QMMMGPOBSA-N -1 0 311.342 -0.536 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(Cc2cnon2)C1 ZINC000950766618 808710117 /nfs/dbraw/zinc/71/01/17/808710117.db2.gz OUTWRRQFQIUWKG-UHFFFAOYSA-N -1 0 321.297 -0.988 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC001342030754 808712764 /nfs/dbraw/zinc/71/27/64/808712764.db2.gz UZEINNWINYBYKP-LLVKDONJSA-N -1 0 313.354 -0.802 20 0 DBADRM O=C(NN1CC(=O)NC1=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001342156005 808718616 /nfs/dbraw/zinc/71/86/16/808718616.db2.gz HCBOQBUMLYWTNS-SECBINFHSA-N -1 0 323.330 -0.469 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000950852273 808722184 /nfs/dbraw/zinc/72/21/84/808722184.db2.gz RVADCHNFORNMHQ-SNVBAGLBSA-N -1 0 303.322 -0.237 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC001342556121 808734832 /nfs/dbraw/zinc/73/48/32/808734832.db2.gz SYKOIIOTUPEYCV-UHFFFAOYSA-N -1 0 320.309 -0.315 20 0 DBADRM CCn1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c(C)n1 ZINC000950967362 808742342 /nfs/dbraw/zinc/74/23/42/808742342.db2.gz IVPGTBMAYKGSHH-UHFFFAOYSA-N -1 0 319.369 -0.007 20 0 DBADRM Cn1c(=O)cccc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038688891 815234181 /nfs/dbraw/zinc/23/41/81/815234181.db2.gz XEFJJVMNJKPPFI-VIFPVBQESA-N -1 0 318.337 -0.787 20 0 DBADRM CCN(C(=O)[C@@H]1CC[C@@H]1C(N)=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000951126356 808770240 /nfs/dbraw/zinc/77/02/40/808770240.db2.gz PTVPPAWYZMQLRG-VHSXEESVSA-N -1 0 322.369 -0.946 20 0 DBADRM NC(=O)c1coc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)c1 ZINC001038689813 815234841 /nfs/dbraw/zinc/23/48/41/815234841.db2.gz WAAVDDMPUSJXGK-QMMMGPOBSA-N -1 0 320.309 -0.794 20 0 DBADRM CC[C@@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297761 808794734 /nfs/dbraw/zinc/79/47/34/808794734.db2.gz JIDSCVWBLOXIDZ-HTQZYQBOSA-N -1 0 309.326 -0.340 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)C1CCC1)c1n[nH]c(=O)[n-]c1=O ZINC000951298196 808794814 /nfs/dbraw/zinc/79/48/14/808794814.db2.gz SWAYCMSCCBDBPL-QMMMGPOBSA-N -1 0 307.310 -0.586 20 0 DBADRM O=C(/C=C\C1CC1)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297560 808794964 /nfs/dbraw/zinc/79/49/64/808794964.db2.gz DATGUPWVBYIXOV-ZBJFTSOASA-N -1 0 319.321 -0.420 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)[C@H]1CCCCC(=O)N1 ZINC001038702823 815237152 /nfs/dbraw/zinc/23/71/52/815237152.db2.gz RLYAJEWJUAYDOF-NXEZZACHSA-N -1 0 322.369 -0.740 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000951461728 808824763 /nfs/dbraw/zinc/82/47/63/808824763.db2.gz RSDPQALZNKVLTR-CIUDSAMLSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H](Cc1c[nH]cn1)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000951607899 808860463 /nfs/dbraw/zinc/86/04/63/808860463.db2.gz ZAGOVFSWJRFQLH-SNVBAGLBSA-N -1 0 319.369 -0.244 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000951661579 808876301 /nfs/dbraw/zinc/87/63/01/808876301.db2.gz PSDYVOIIKBUNEJ-YIZRAAEISA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(COc1cccnc1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000951762927 808894930 /nfs/dbraw/zinc/89/49/30/808894930.db2.gz QADQWUBJCDQSIX-UHFFFAOYSA-N -1 0 318.337 -0.372 20 0 DBADRM COCc1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)no1 ZINC001038778865 815245950 /nfs/dbraw/zinc/24/59/50/815245950.db2.gz HRBABHRUAZOMSJ-QMMMGPOBSA-N -1 0 322.325 -0.351 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC000952244288 808977541 /nfs/dbraw/zinc/97/75/41/808977541.db2.gz IWQPDHBAPATQQC-DTWKUNHWSA-N -1 0 321.337 -0.794 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CC12CC2 ZINC000952248588 808978181 /nfs/dbraw/zinc/97/81/81/808978181.db2.gz NLIOENKUOAUZLS-SFYZADRCSA-N -1 0 319.321 -0.586 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCO1 ZINC000952440402 808990872 /nfs/dbraw/zinc/99/08/72/808990872.db2.gz ZBEPLQMEPLYXJS-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000952624518 808999647 /nfs/dbraw/zinc/99/96/47/808999647.db2.gz CTGGJNLJXVVAGB-AOOOYVTPSA-N -1 0 323.353 -0.309 20 0 DBADRM CCC(=O)N1CC[C@]2(CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000953012364 809014167 /nfs/dbraw/zinc/01/41/67/809014167.db2.gz CHTGHDCEWKNTFY-AWEZNQCLSA-N -1 0 321.337 -0.243 20 0 DBADRM CCC(=O)N1CC[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000953215903 809023818 /nfs/dbraw/zinc/02/38/18/809023818.db2.gz BUBZEZROIFPHLR-DTWKUNHWSA-N -1 0 321.337 -0.244 20 0 DBADRM CC(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000953245464 809026682 /nfs/dbraw/zinc/02/66/82/809026682.db2.gz YJRJTKWBZZJOFD-ZJUUUORDSA-N -1 0 309.326 -0.841 20 0 DBADRM CC(=O)N1CC[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC000953401951 809039295 /nfs/dbraw/zinc/03/92/95/809039295.db2.gz JSFBZQPWPHQMDN-CMPLNLGQSA-N -1 0 320.349 -0.431 20 0 DBADRM CN(C(=O)c1ccco1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000953554636 809055887 /nfs/dbraw/zinc/05/58/87/809055887.db2.gz CSIZXJYDDYMQRP-UHFFFAOYSA-N -1 0 321.293 -0.735 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H]2CCCCN2C(=O)C(N)=O)c1[O-] ZINC000953650047 809064111 /nfs/dbraw/zinc/06/41/11/809064111.db2.gz XGNXWMAFPGJYIQ-CBAPKCEASA-N -1 0 323.353 -0.592 20 0 DBADRM CN(C(=O)c1ccc[nH]1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000953716163 809075988 /nfs/dbraw/zinc/07/59/88/809075988.db2.gz KPZHQXAFIDSZKF-UHFFFAOYSA-N -1 0 318.293 -0.793 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3cn[nH]c3)C2)c1[O-] ZINC000953790584 809091444 /nfs/dbraw/zinc/09/14/44/809091444.db2.gz BFKJWJWMEXDQJT-UHFFFAOYSA-N -1 0 304.310 -0.257 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3cnsn3)C2)c1[O-] ZINC000953804798 809095293 /nfs/dbraw/zinc/09/52/93/809095293.db2.gz OIASWBZLENHKFK-UHFFFAOYSA-N -1 0 322.350 -0.128 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)[C@H]3CCOC3)C2)c1[O-] ZINC000953849696 809105828 /nfs/dbraw/zinc/10/58/28/809105828.db2.gz YXSCSPDDPWSDMR-VIFPVBQESA-N -1 0 308.338 -0.257 20 0 DBADRM C[C@H](C(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000953980629 809142846 /nfs/dbraw/zinc/14/28/46/809142846.db2.gz DXLAWXOCDKPMDK-ZETCQYMHSA-N -1 0 321.337 -0.388 20 0 DBADRM CN(C(=O)C=C1CCC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954023267 809145301 /nfs/dbraw/zinc/14/53/01/809145301.db2.gz VDQUFGNGKWLLSQ-UHFFFAOYSA-N -1 0 319.321 -0.324 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3ncn(C)n3)C2)c1[O-] ZINC000954070228 809154357 /nfs/dbraw/zinc/15/43/57/809154357.db2.gz OTSCUUVQWDXQRD-UHFFFAOYSA-N -1 0 319.325 -0.851 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)Cc3nnc[nH]3)C2)c1[O-] ZINC000954070263 809154464 /nfs/dbraw/zinc/15/44/64/809154464.db2.gz PXGVCZGFQXNLAH-UHFFFAOYSA-N -1 0 319.325 -0.933 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3ncccn3)C2)c1[O-] ZINC000954070048 809154726 /nfs/dbraw/zinc/15/47/26/809154726.db2.gz LPEGDDWGIZPSIN-UHFFFAOYSA-N -1 0 316.321 -0.190 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3nc[nH]n3)C2)c1[O-] ZINC000954069946 809154736 /nfs/dbraw/zinc/15/47/36/809154736.db2.gz JADZVFUNSIYMHT-UHFFFAOYSA-N -1 0 305.298 -0.862 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)C(C)(C)C(N)=O)C2)c1[O-] ZINC000954071380 809155828 /nfs/dbraw/zinc/15/58/28/809155828.db2.gz MHVJCOWFHNHFLS-UHFFFAOYSA-N -1 0 323.353 -0.782 20 0 DBADRM CN(C(=O)[C@@H]1CC1(C)C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954078031 809156417 /nfs/dbraw/zinc/15/64/17/809156417.db2.gz FGPUMVDCDPTOER-QMMMGPOBSA-N -1 0 321.337 -0.388 20 0 DBADRM CN(C(=O)c1ncccc1O)C1CN(C(=O)c2cn[nH]n2)C1 ZINC000954125329 809167669 /nfs/dbraw/zinc/16/76/69/809167669.db2.gz KVWJJHSCLYMHKX-UHFFFAOYSA-N -1 0 302.294 -0.498 20 0 DBADRM C[C@@H](C(N)=O)N1CC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001038924284 815267526 /nfs/dbraw/zinc/26/75/26/815267526.db2.gz ZICNNMBLIQTZNA-YUMQZZPRSA-N -1 0 319.321 -0.394 20 0 DBADRM CC(C)=CC(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954876816 809304337 /nfs/dbraw/zinc/30/43/37/809304337.db2.gz IJBIODBZMGBPBO-UHFFFAOYSA-N -1 0 307.310 -0.468 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954876978 809304371 /nfs/dbraw/zinc/30/43/71/809304371.db2.gz IUXCUDFEDYOGJU-HTQZYQBOSA-N -1 0 321.337 -0.388 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)c2ccco2)C1 ZINC000954876782 809304830 /nfs/dbraw/zinc/30/48/30/809304830.db2.gz HMBSYZRFSIGKBV-UHFFFAOYSA-N -1 0 319.277 -0.528 20 0 DBADRM C[C@@H](C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000954877525 809305314 /nfs/dbraw/zinc/30/53/14/809305314.db2.gz XOGQHGUAFZIXIY-SSDOTTSWSA-N -1 0 321.337 -0.388 20 0 DBADRM C[C@H](C(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000954934038 809311977 /nfs/dbraw/zinc/31/19/77/809311977.db2.gz QPZPMVGJALNIPR-QMMMGPOBSA-N -1 0 323.353 -0.595 20 0 DBADRM Cc1n[nH]nc1C(=O)N(C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000954945579 809314328 /nfs/dbraw/zinc/31/43/28/809314328.db2.gz XPFLOMLLCKMXMC-UHFFFAOYSA-N -1 0 319.325 -0.553 20 0 DBADRM CN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(C(=O)CC2CC2)C1 ZINC000954950961 809316640 /nfs/dbraw/zinc/31/66/40/809316640.db2.gz HEWPFGQZJVPUSW-UHFFFAOYSA-N -1 0 320.349 -0.431 20 0 DBADRM CN(C(=O)C1(C)CCC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954969779 809327621 /nfs/dbraw/zinc/32/76/21/809327621.db2.gz FMLUHVAXZBEGBH-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM CN(C(=O)[C@@H]1CC12CC2)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000955430210 809414094 /nfs/dbraw/zinc/41/40/94/809414094.db2.gz FBZGBQMEMJTLKG-QMMMGPOBSA-N -1 0 319.321 -0.634 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C1CC1 ZINC000955466749 809421059 /nfs/dbraw/zinc/42/10/59/809421059.db2.gz SJGJBJZDGSEQQS-IONNQARKSA-N -1 0 321.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)[C@H](C)C2)c1[O-] ZINC000955592038 809427161 /nfs/dbraw/zinc/42/71/61/809427161.db2.gz HGVLSSZKVOZIGR-VXNVDRBHSA-N -1 0 323.353 -0.592 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C)c1[O-] ZINC000955629430 809430775 /nfs/dbraw/zinc/43/07/75/809430775.db2.gz QFDQUSZQOWUPPF-POYBYMJQSA-N -1 0 309.326 -0.982 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C)c1[O-] ZINC000955629432 809431165 /nfs/dbraw/zinc/43/11/65/809431165.db2.gz QFDQUSZQOWUPPF-XPUUQOCRSA-N -1 0 309.326 -0.982 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001039061394 815288949 /nfs/dbraw/zinc/28/89/49/815288949.db2.gz NJEYNJAGCPQFGP-GHMZBOCLSA-N -1 0 322.369 -0.788 20 0 DBADRM CCn1nc(C)c(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001039079244 815290720 /nfs/dbraw/zinc/29/07/20/815290720.db2.gz FKEKZLFHZLTENF-SECBINFHSA-N -1 0 320.357 -0.566 20 0 DBADRM CC(=O)N1CCN([C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C2)CC1 ZINC000956567994 809521129 /nfs/dbraw/zinc/52/11/29/809521129.db2.gz XAAZOULLILYMLQ-GFCCVEGCSA-N -1 0 321.381 -0.198 20 0 DBADRM C[C@]1(NC(=O)C2CCC2)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000956624086 809531737 /nfs/dbraw/zinc/53/17/37/809531737.db2.gz BWAKCMZHCSULBL-AWEZNQCLSA-N -1 0 321.337 -0.196 20 0 DBADRM COc1ncc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC000957049973 809580456 /nfs/dbraw/zinc/58/04/56/809580456.db2.gz QMMSZWNMCLCESX-UHFFFAOYSA-N -1 0 319.325 -0.733 20 0 DBADRM CCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)C1CN(CC(N)=O)C1 ZINC000957132449 809590639 /nfs/dbraw/zinc/59/06/39/809590639.db2.gz PZDUJVJYTWFFNV-UHFFFAOYSA-N -1 0 319.321 -0.440 20 0 DBADRM CC1(C(=O)N2CC[C@](C)(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000957236416 809607824 /nfs/dbraw/zinc/60/78/24/809607824.db2.gz ZQVASMVCJWPRSJ-AWEZNQCLSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@]1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(C(=O)C2CC2)C1 ZINC000957236379 809608135 /nfs/dbraw/zinc/60/81/35/809608135.db2.gz YYVFQYSGUUURDX-ZDUSSCGKSA-N -1 0 307.310 -0.586 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C1CCC1 ZINC000957364186 809633177 /nfs/dbraw/zinc/63/31/77/809633177.db2.gz LAYSWTHIGVUKQZ-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM COc1cccnc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957457739 809645126 /nfs/dbraw/zinc/64/51/26/809645126.db2.gz WIPCCKKWADAMEU-UHFFFAOYSA-N -1 0 318.337 -0.128 20 0 DBADRM CCN(C(=O)c1nonc1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000957458484 809645578 /nfs/dbraw/zinc/64/55/78/809645578.db2.gz FKVIJISLUCRZPF-UHFFFAOYSA-N -1 0 307.314 -0.452 20 0 DBADRM CC[C@@H](CN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1)OC ZINC000957473964 809647484 /nfs/dbraw/zinc/64/74/84/809647484.db2.gz JPRQXSHTLAHCPR-JTQLQIEISA-N -1 0 313.358 -0.742 20 0 DBADRM Cc1nn(C)c(F)c1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957493524 809649902 /nfs/dbraw/zinc/64/99/02/809649902.db2.gz LSWDZLXFIJWLEI-UHFFFAOYSA-N -1 0 323.332 -0.351 20 0 DBADRM Cn1cncc1CCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957512018 809651570 /nfs/dbraw/zinc/65/15/70/809651570.db2.gz OFNPXHKDZYFUKL-UHFFFAOYSA-N -1 0 319.369 -0.479 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)C1CC1 ZINC000957581186 809655932 /nfs/dbraw/zinc/65/59/32/809655932.db2.gz NUZLNYDNGVEUME-LDYMZIIASA-N -1 0 320.349 -0.527 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000957633077 809661851 /nfs/dbraw/zinc/66/18/51/809661851.db2.gz GVZVMILYRFXQPW-ZYUZMQFOSA-N -1 0 323.353 -0.692 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CCCC1 ZINC000957808022 809679101 /nfs/dbraw/zinc/67/91/01/809679101.db2.gz NIJXLFCFQKLRID-GHMZBOCLSA-N -1 0 309.370 -0.391 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cccnc1 ZINC000957811778 809680612 /nfs/dbraw/zinc/68/06/12/809680612.db2.gz KPSFFMYQOLQZSR-QWRGUYRKSA-N -1 0 318.337 -0.872 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccncc1 ZINC000957822634 809683263 /nfs/dbraw/zinc/68/32/63/809683263.db2.gz YUGIJQLFXJIGJM-QWRGUYRKSA-N -1 0 318.337 -0.872 20 0 DBADRM Cc1occc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000957852396 809691503 /nfs/dbraw/zinc/69/15/03/809691503.db2.gz XEWKEBIPZCBPES-ONGXEEELSA-N -1 0 321.337 -0.366 20 0 DBADRM Cc1ccoc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000957859117 809695034 /nfs/dbraw/zinc/69/50/34/809695034.db2.gz LJIPGKNECVYCSJ-NXEZZACHSA-N -1 0 321.337 -0.366 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccc[nH]1 ZINC000957869949 809697702 /nfs/dbraw/zinc/69/77/02/809697702.db2.gz YECIRSOUGYTKFV-WCBMZHEXSA-N -1 0 306.326 -0.939 20 0 DBADRM Cn1cccc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000957878389 809698993 /nfs/dbraw/zinc/69/89/93/809698993.db2.gz LLUYAUZVYQJTCB-GXSJLCMTSA-N -1 0 320.353 -0.929 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC=CC1 ZINC000957943431 809724163 /nfs/dbraw/zinc/72/41/63/809724163.db2.gz HMNGDDMHSNWIKK-MNOVXSKESA-N -1 0 307.354 -0.615 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(Cc3ccon3)C[C@H]2O)c1[O-] ZINC000957974878 809731876 /nfs/dbraw/zinc/73/18/76/809731876.db2.gz JTTAJNPVJFPZTQ-GXSJLCMTSA-N -1 0 321.337 -0.366 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cccnc1 ZINC000958098577 809767417 /nfs/dbraw/zinc/76/74/17/809767417.db2.gz OBHJSFPKRDITHA-IAZYJMLFSA-N -1 0 300.322 -0.235 20 0 DBADRM CCc1cc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)[nH]n1 ZINC000958273717 809837668 /nfs/dbraw/zinc/83/76/68/809837668.db2.gz OSVSGGHQOLVMFD-GDGBQDQQSA-N -1 0 317.353 -0.344 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc(F)c[nH]1 ZINC000958278490 809840433 /nfs/dbraw/zinc/84/04/33/809840433.db2.gz VFVRFRKPZMDCFB-XVKPBYJWSA-N -1 0 324.316 -0.800 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC3CC3)C2)c1[O-] ZINC000958408835 809898377 /nfs/dbraw/zinc/89/83/77/809898377.db2.gz MRIYATCTQZRYMG-QWRGUYRKSA-N -1 0 322.365 -0.132 20 0 DBADRM O=C(NC[C@H]1CN(CCF)C[C@H]1O)c1c[n-]n2c1nccc2=O ZINC000958468513 809922383 /nfs/dbraw/zinc/92/23/83/809922383.db2.gz YWEVEBWCPCZFPS-GXSJLCMTSA-N -1 0 323.328 -0.985 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1nccs1 ZINC000958519949 809949180 /nfs/dbraw/zinc/94/91/80/809949180.db2.gz QVVXVHMNQXTVIY-SFYZADRCSA-N -1 0 324.366 -0.811 20 0 DBADRM Cc1conc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000958575348 809963167 /nfs/dbraw/zinc/96/31/67/809963167.db2.gz XDJXAZQUHMMTHV-BDAKNGLRSA-N -1 0 322.325 -0.971 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@H]1CCCCO1 ZINC000958579945 809965595 /nfs/dbraw/zinc/96/55/95/809965595.db2.gz MEGBAZHQNYTLSG-KLBPJQLPSA-N -1 0 307.354 -0.374 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(Cc4nonc4C)C[C@H]32)c1[O-] ZINC000958585090 809967806 /nfs/dbraw/zinc/96/78/06/809967806.db2.gz XDJNEEBNYVGYGM-JZYVYDRUSA-N -1 0 318.337 -0.025 20 0 DBADRM O=C(CC1OCCCO1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958668186 810001089 /nfs/dbraw/zinc/00/10/89/810001089.db2.gz JEGAUXUPKWEUIV-WOFXILAISA-N -1 0 323.353 -0.790 20 0 DBADRM CC(C)C(=O)N1CC[C@H]([C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000959062572 810077953 /nfs/dbraw/zinc/07/79/53/810077953.db2.gz ILMGHLGVHPLUOR-IUCAKERBSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@@H](NC(=O)C1CC1)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000959225230 810086202 /nfs/dbraw/zinc/08/62/02/810086202.db2.gz XHPMJBLHCSQNJJ-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)C1CC1 ZINC000959536454 810108039 /nfs/dbraw/zinc/10/80/39/810108039.db2.gz RFZRCDKDCLOUKM-IONNQARKSA-N -1 0 321.337 -0.483 20 0 DBADRM CCCC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC000959793034 810125086 /nfs/dbraw/zinc/12/50/86/810125086.db2.gz COHHMCDUZAQBJM-DTORHVGOSA-N -1 0 321.337 -0.387 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)[C@@H]1CCOC1 ZINC000960472899 810178325 /nfs/dbraw/zinc/17/83/25/810178325.db2.gz OACBUQROWHJBLA-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)c1ncn(C)n1 ZINC000960617914 810187724 /nfs/dbraw/zinc/18/77/24/810187724.db2.gz NZSHIVDVSTVWLI-VIFPVBQESA-N -1 0 320.357 -0.625 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)Cc1cnc[nH]1 ZINC000960912577 810212003 /nfs/dbraw/zinc/21/20/03/810212003.db2.gz PRPPZZMXCWOUGF-LLVKDONJSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)c1nc[nH]n1 ZINC000960922090 810212301 /nfs/dbraw/zinc/21/23/01/810212301.db2.gz CJQFEWZXXQOMPE-MRVPVSSYSA-N -1 0 306.330 -0.635 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC000961073537 810224604 /nfs/dbraw/zinc/22/46/04/810224604.db2.gz JGPPSJKFWNVSLQ-MNOVXSKESA-N -1 0 306.322 -0.619 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@@]1(F)CCOC1 ZINC000961592838 810317638 /nfs/dbraw/zinc/31/76/38/810317638.db2.gz XVDLFRGOQWMSJF-XIJZCFGVSA-N -1 0 311.317 -0.815 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(CCF)C[C@H]21)c1c[n-]n2c1nccc2=O ZINC000961986738 810417519 /nfs/dbraw/zinc/41/75/19/810417519.db2.gz ZLXYJMSOQVBTRG-IAZYJMLFSA-N -1 0 305.313 -0.348 20 0 DBADRM Cc1nc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)c(C)o1 ZINC000962131069 810452670 /nfs/dbraw/zinc/45/26/70/810452670.db2.gz OGICOYSLHKRFCP-GDGBQDQQSA-N -1 0 318.337 -0.025 20 0 DBADRM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCCOC1 ZINC000962166622 810462623 /nfs/dbraw/zinc/46/26/23/810462623.db2.gz ORTSQZUQLRFQHT-GOMXZESMSA-N -1 0 321.381 -0.127 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C3CC(C)C3)[C@@H](O)C2)c1[O-] ZINC000962166367 810462964 /nfs/dbraw/zinc/46/29/64/810462964.db2.gz YVNLVRAXMWOHDV-DSSLXXJUSA-N -1 0 322.365 -0.229 20 0 DBADRM CC(=O)N[C@@H]1CC12CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC000962298891 810500321 /nfs/dbraw/zinc/50/03/21/810500321.db2.gz PRGHTGXPSDGFQR-SECBINFHSA-N -1 0 309.326 -0.794 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3CC(C)C3)C[C@@H]2O)c1[O-] ZINC000962301660 810502294 /nfs/dbraw/zinc/50/22/94/810502294.db2.gz APJXJRTWEBHXRI-DSSLXXJUSA-N -1 0 322.365 -0.229 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC34CC4)C[C@@H]2O)c1[O-] ZINC000962309255 810502575 /nfs/dbraw/zinc/50/25/75/810502575.db2.gz XGCHVBBXUNWMLE-BBBLOLIVSA-N -1 0 320.349 -0.475 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@@H]2O)c1[O-] ZINC000962321046 810506214 /nfs/dbraw/zinc/50/62/14/810506214.db2.gz SFULPPJIWUHERX-ZJUUUORDSA-N -1 0 319.321 -0.633 20 0 DBADRM CCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000962519120 810543618 /nfs/dbraw/zinc/54/36/18/810543618.db2.gz OLMKSTVOKUJHPD-IUCAKERBSA-N -1 0 321.337 -0.102 20 0 DBADRM Cn1ccc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)n1 ZINC000962574823 810556112 /nfs/dbraw/zinc/55/61/12/810556112.db2.gz ZUXDIANXDDAIGT-VROVMSAKSA-N -1 0 303.326 -0.896 20 0 DBADRM Cc1nc[nH]c1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000963109620 810607136 /nfs/dbraw/zinc/60/71/36/810607136.db2.gz IVFZWLYIOSZVAQ-VROVMSAKSA-N -1 0 303.326 -0.598 20 0 DBADRM CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnc([O-])n(C)c1=O ZINC000963446512 810628147 /nfs/dbraw/zinc/62/81/47/810628147.db2.gz XXXWPMAFKWMKPV-VXGBXAGGSA-N -1 0 320.349 -0.289 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2COCCN2C(=O)C2CC2)c1[O-] ZINC000964155959 810714878 /nfs/dbraw/zinc/71/48/78/810714878.db2.gz PJTSPLHXFCBLHS-SNVBAGLBSA-N -1 0 308.338 -0.209 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)C1=COCCO1 ZINC000964708319 810795743 /nfs/dbraw/zinc/79/57/43/810795743.db2.gz FYZYZZOFXKQJQT-ZJUUUORDSA-N -1 0 323.353 -0.275 20 0 DBADRM CC(=O)NC[C@@H]1CCC2(CN(C(=O)c3n[nH]c(C)c3[O-])C2)O1 ZINC000965506456 810895086 /nfs/dbraw/zinc/89/50/86/810895086.db2.gz YKQOYJJPGCNQFW-JTQLQIEISA-N -1 0 308.338 -0.067 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccnn1C ZINC000965526702 810899329 /nfs/dbraw/zinc/89/93/29/810899329.db2.gz OBSLNQVALFMVAJ-NXEZZACHSA-N -1 0 319.369 -0.116 20 0 DBADRM CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])O2 ZINC000965531216 810900114 /nfs/dbraw/zinc/90/01/14/810900114.db2.gz JKAATGYWDMPFGY-JTQLQIEISA-N -1 0 308.338 -0.067 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cn(C)cn1 ZINC000965905147 810984849 /nfs/dbraw/zinc/98/48/49/810984849.db2.gz FZDMBNMSLSJCPU-NXEZZACHSA-N -1 0 319.369 -0.116 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CN(CC(=O)N(C)C)CC[C@@H]2C)c1[O-] ZINC000965917270 810986766 /nfs/dbraw/zinc/98/67/66/810986766.db2.gz RZUWOGLTPMOWSE-ONGXEEELSA-N -1 0 323.397 -0.048 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cncnc1 ZINC000965935451 810991820 /nfs/dbraw/zinc/99/18/20/810991820.db2.gz FQMUVVBMBLDHLP-MWLCHTKSSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cn(C)nn1 ZINC000965986016 811000579 /nfs/dbraw/zinc/00/05/79/811000579.db2.gz VIXRAOAUVWOJKQ-RKDXNWHRSA-N -1 0 320.357 -0.721 20 0 DBADRM CC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000966010590 811004030 /nfs/dbraw/zinc/00/40/30/811004030.db2.gz DQZIFCFOWAADKS-KCJUWKMLSA-N -1 0 318.337 -0.946 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H](C)C1 ZINC000966010591 811004540 /nfs/dbraw/zinc/00/45/40/811004540.db2.gz DQZIFCFOWAADKS-KWQFWETISA-N -1 0 318.337 -0.946 20 0 DBADRM C[C@H]1CN(C(=O)C2CCC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000966033841 811006807 /nfs/dbraw/zinc/00/68/07/811006807.db2.gz UTAVTNCZEXYTEW-IONNQARKSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000966043629 811007813 /nfs/dbraw/zinc/00/78/13/811007813.db2.gz NDJGVBPHYBTDRP-IONNQARKSA-N -1 0 321.337 -0.340 20 0 DBADRM CCCC(=O)N1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](C)C1 ZINC000966083076 811013192 /nfs/dbraw/zinc/01/31/92/811013192.db2.gz WEHIRSOSFHNTQS-ONGXEEELSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(C)C(=O)N1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](C)C1 ZINC000966179587 811029447 /nfs/dbraw/zinc/02/94/47/811029447.db2.gz QUEODFXGUPTRCJ-IUCAKERBSA-N -1 0 311.342 -0.692 20 0 DBADRM CC(C)C(=O)N1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](C)C1 ZINC000966198774 811032572 /nfs/dbraw/zinc/03/25/72/811032572.db2.gz SJWQMZPMFBVNFS-ONGXEEELSA-N -1 0 322.365 -0.281 20 0 DBADRM C/C=C(\C)C(=O)N1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](C)C1 ZINC000966309066 811051337 /nfs/dbraw/zinc/05/13/37/811051337.db2.gz PNNMYEVPMXWLBJ-DQRKKKBRSA-N -1 0 323.353 -0.381 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cn1nccn1 ZINC000966428270 811072551 /nfs/dbraw/zinc/07/25/51/811072551.db2.gz XQBXEORZPYJIII-NXEZZACHSA-N -1 0 320.357 -0.871 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NC(=O)C1CC1 ZINC000966646430 811114313 /nfs/dbraw/zinc/11/43/13/811114313.db2.gz YSVWPZOJRXEMOS-SVRRBLITSA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1NC(=O)C1CCC1 ZINC000966646966 811114453 /nfs/dbraw/zinc/11/44/53/811114453.db2.gz GEQMLCBHRKUDIQ-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM NC(=O)CC(=O)N1CCC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001040648719 815423644 /nfs/dbraw/zinc/42/36/44/815423644.db2.gz HEZSDQHCJDHYAA-UHFFFAOYSA-N -1 0 322.369 -0.800 20 0 DBADRM CC(=O)N(C)C[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000967202268 811222045 /nfs/dbraw/zinc/22/20/45/811222045.db2.gz DHYIHLSEECOIMR-LLVKDONJSA-N -1 0 322.365 -0.184 20 0 DBADRM CC(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@@H]2C1 ZINC000967364145 811246329 /nfs/dbraw/zinc/24/63/29/811246329.db2.gz OWHVRTPKTUEPIZ-AOOOYVTPSA-N -1 0 321.337 -0.387 20 0 DBADRM CC(=O)N(C)[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000967431830 811258122 /nfs/dbraw/zinc/25/81/22/811258122.db2.gz YKYRMHQSDNBSIL-JTQLQIEISA-N -1 0 311.342 -0.451 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](N(C)C(=O)C(N)=O)CC2)c1[O-] ZINC000967648075 811274036 /nfs/dbraw/zinc/27/40/36/811274036.db2.gz ICRZCBRDIZBPKR-VIFPVBQESA-N -1 0 323.353 -0.638 20 0 DBADRM C[C@@H]1CCN(CCF)C[C@@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000967700089 811281859 /nfs/dbraw/zinc/28/18/59/811281859.db2.gz FUOBQORUQODKOJ-KOLCDFICSA-N -1 0 312.345 -0.104 20 0 DBADRM CC[C@H](F)C(=O)N1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC000967738425 811287662 /nfs/dbraw/zinc/28/76/62/811287662.db2.gz SHZOKGOOVCZKKK-AEJSXWLSSA-N -1 0 312.301 -0.768 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000967780494 811295357 /nfs/dbraw/zinc/29/53/57/811295357.db2.gz PQEZELHDOKDBLY-IIEKFROSSA-N -1 0 321.381 -0.271 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC1 ZINC000967967734 811327536 /nfs/dbraw/zinc/32/75/36/811327536.db2.gz IAUKBYXOARPGAK-DTORHVGOSA-N -1 0 319.321 -0.492 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C=C(C)C)C1 ZINC000968171096 811357940 /nfs/dbraw/zinc/35/79/40/811357940.db2.gz JHBUBLHIVBTVFL-UHFFFAOYSA-N -1 0 321.337 -0.078 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccnnc1 ZINC000968357284 811391705 /nfs/dbraw/zinc/39/17/05/811391705.db2.gz KTGTYILJAXJAIW-MWLCHTKSSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@](O)(CC(=O)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC000968447438 811411170 /nfs/dbraw/zinc/41/11/70/811411170.db2.gz GNHVUFALESZBJA-YGRLFVJLSA-N -1 0 309.370 -0.248 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cc1nc[nH]n1 ZINC000968520995 811433535 /nfs/dbraw/zinc/43/35/35/811433535.db2.gz ORSOQSMARQJAAI-BDAKNGLRSA-N -1 0 320.357 -0.802 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@@H](O)C1 ZINC000968572489 811446897 /nfs/dbraw/zinc/44/68/97/811446897.db2.gz GGMLYMWDLWSAIB-OLZOCXBDSA-N -1 0 324.381 -0.917 20 0 DBADRM COCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-] ZINC000968840944 811500545 /nfs/dbraw/zinc/50/05/45/811500545.db2.gz PIPCJFSYCXFIES-AOOOYVTPSA-N -1 0 308.338 -0.114 20 0 DBADRM CNC(=O)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cnc[nH]c1=O ZINC000968906681 811511979 /nfs/dbraw/zinc/51/19/79/811511979.db2.gz CKYSHPYJJJGKJO-LLVKDONJSA-N -1 0 321.381 -0.097 20 0 DBADRM CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[n-]n2c1nccc2=O ZINC000969047304 811538893 /nfs/dbraw/zinc/53/88/93/811538893.db2.gz LFTVVCSYDSBYQL-PHIMTYICSA-N -1 0 315.333 -0.142 20 0 DBADRM C[C@H](NC(=O)c1cnccn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969231630 811555817 /nfs/dbraw/zinc/55/58/17/811555817.db2.gz WUKGKSSWDNXFCW-QMMMGPOBSA-N -1 0 303.326 -0.449 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3nnn(C)c3C)C2)c1[O-] ZINC000990597115 811716838 /nfs/dbraw/zinc/71/68/38/811716838.db2.gz OVCJGCCKRSUOGF-UHFFFAOYSA-N -1 0 319.325 -0.885 20 0 DBADRM Cc1[nH]ccc1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000990733335 811750270 /nfs/dbraw/zinc/75/02/70/811750270.db2.gz MWXCEZKYERYDPQ-UHFFFAOYSA-N -1 0 318.293 -0.826 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)Cc3cnoc3)C2)c1[O-] ZINC000990854182 811789796 /nfs/dbraw/zinc/78/97/96/811789796.db2.gz MRVYDKUKEXOUBT-UHFFFAOYSA-N -1 0 305.294 -0.405 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@]3(C)CCC(=O)N3)C2)c1[O-] ZINC000990857953 811790964 /nfs/dbraw/zinc/79/09/64/811790964.db2.gz CULLHUDTNPVLON-AWEZNQCLSA-N -1 0 321.337 -0.967 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@]3(C)CCOC3)C2)c1[O-] ZINC000990860142 811791872 /nfs/dbraw/zinc/79/18/72/811791872.db2.gz LZHNLTFHIINXSN-CQSZACIVSA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@H]3CC[C@@H](C)O3)C2)c1[O-] ZINC000990861182 811792067 /nfs/dbraw/zinc/79/20/67/811792067.db2.gz RTPVMKLJDWWZDL-GMSGAONNSA-N -1 0 308.338 -0.068 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3nccnc3F)C[C@H]2O)c1[O-] ZINC001040975566 815475595 /nfs/dbraw/zinc/47/55/95/815475595.db2.gz MESBVRMHMDVOEQ-HTQZYQBOSA-N -1 0 322.300 -0.668 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@H](C)n3cccn3)C2)c1[O-] ZINC000990864187 811792808 /nfs/dbraw/zinc/79/28/08/811792808.db2.gz KFFUEYAGOHAYNC-VIFPVBQESA-N -1 0 318.337 -0.178 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@@H](C)n3cncn3)C2)c1[O-] ZINC000990863059 811793040 /nfs/dbraw/zinc/79/30/40/811793040.db2.gz BTDNWGUHHWCRAE-MRVPVSSYSA-N -1 0 319.325 -0.783 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)C3=COCCO3)C2)c1[O-] ZINC000990865535 811793731 /nfs/dbraw/zinc/79/37/31/811793731.db2.gz QJEPKZSSNWBMMK-UHFFFAOYSA-N -1 0 308.294 -0.747 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)Cn3ccnc3C)C2)c1[O-] ZINC000990866969 811793929 /nfs/dbraw/zinc/79/39/29/811793929.db2.gz BMVULOURGCKWGP-UHFFFAOYSA-N -1 0 318.337 -0.431 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)C[C@@H]3CCOC3)C2)c1[O-] ZINC000990866045 811794085 /nfs/dbraw/zinc/79/40/85/811794085.db2.gz STYAULUXAJPDQH-VIFPVBQESA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3cccc(F)n3)C[C@H]2O)c1[O-] ZINC001040974534 815475795 /nfs/dbraw/zinc/47/57/95/815475795.db2.gz CJZWCGZIAIGIBK-RKDXNWHRSA-N -1 0 321.312 -0.063 20 0 DBADRM Cc1cc[nH]c1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000991101853 811878962 /nfs/dbraw/zinc/87/89/62/811878962.db2.gz SFNNMDSTMTWPBC-UHFFFAOYSA-N -1 0 318.293 -0.826 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C3CCC3)[C@H](O)C2)c1[O-] ZINC000991177714 811936555 /nfs/dbraw/zinc/93/65/55/811936555.db2.gz GSABNOIAIVPMNY-GHMZBOCLSA-N -1 0 322.365 -0.085 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C3CCC3)[C@@H](O)C2)c1[O-] ZINC000991177716 811936623 /nfs/dbraw/zinc/93/66/23/811936623.db2.gz GSABNOIAIVPMNY-MNOVXSKESA-N -1 0 322.365 -0.085 20 0 DBADRM CCC(=O)N[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@@H]1C ZINC001004271984 811968967 /nfs/dbraw/zinc/96/89/67/811968967.db2.gz HABVFERPFSLVPF-YUMQZZPRSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(C)C(=O)N[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@@H]1C ZINC001004528638 811993048 /nfs/dbraw/zinc/99/30/48/811993048.db2.gz FOOFMYHKZDAUIX-IUCAKERBSA-N -1 0 323.353 -0.094 20 0 DBADRM CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001004573267 811997062 /nfs/dbraw/zinc/99/70/62/811997062.db2.gz SQGSBLRMLMHVDN-HLTSFMKQSA-N -1 0 321.337 -0.055 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC(N)=O)CC[C@@H]2C)c1[O-] ZINC001004742028 812005285 /nfs/dbraw/zinc/00/52/85/812005285.db2.gz YFPQVDZOKJJGLI-IONNQARKSA-N -1 0 323.353 -0.734 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CN(C(=O)CC(N)=O)CC[C@@H]2C)c1[O-] ZINC001004742026 812005356 /nfs/dbraw/zinc/00/53/56/812005356.db2.gz YFPQVDZOKJJGLI-CBAPKCEASA-N -1 0 323.353 -0.734 20 0 DBADRM CCC(=O)N1CC[C@@H](C)[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001005116381 812030257 /nfs/dbraw/zinc/03/02/57/812030257.db2.gz OJGUVIFBWNOGMV-KOLCDFICSA-N -1 0 322.365 -0.137 20 0 DBADRM CN(C(=O)[C@H]1CCOC1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005159734 812039163 /nfs/dbraw/zinc/03/91/63/812039163.db2.gz QYCIUGQAQMEBNL-JTQLQIEISA-N -1 0 309.370 -0.030 20 0 DBADRM CC(=O)NC[C@H]1CCCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001005316096 812060242 /nfs/dbraw/zinc/06/02/42/812060242.db2.gz LNPFKJYJEBWSRZ-SECBINFHSA-N -1 0 309.326 -0.196 20 0 DBADRM CC(=O)N[C@H](C)C1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001005549840 812075175 /nfs/dbraw/zinc/07/51/75/812075175.db2.gz JPPAJJLTTMUYHY-SSDOTTSWSA-N -1 0 309.326 -0.802 20 0 DBADRM C[C@H](NC(=O)C1CCC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001005558616 812076724 /nfs/dbraw/zinc/07/67/24/812076724.db2.gz FYUOTVAWBIGKOR-ZETCQYMHSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N(C)C1CCN(CC(N)=O)CC1 ZINC001005861724 812126485 /nfs/dbraw/zinc/12/64/85/812126485.db2.gz ZDOVQKPFHYYCJX-UHFFFAOYSA-N -1 0 307.354 -0.488 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(C(=O)c3cn[nH]n3)C2)c1[O-] ZINC001005905104 812129755 /nfs/dbraw/zinc/12/97/55/812129755.db2.gz BDAUIRJRKLNIMR-ZCFIWIBFSA-N -1 0 319.325 -0.568 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(C(=O)c3nc[nH]n3)C2)c1[O-] ZINC001005922394 812133246 /nfs/dbraw/zinc/13/32/46/812133246.db2.gz NQVYQLAFKWVFDJ-LURJTMIESA-N -1 0 319.325 -0.568 20 0 DBADRM CN(C(=O)Cc1nnc[nH]1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001006264387 812176564 /nfs/dbraw/zinc/17/65/64/812176564.db2.gz BXQFBUSINLDOSA-UHFFFAOYSA-N -1 0 320.357 -0.706 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C(C)(C)C)C1 ZINC001006488057 812212050 /nfs/dbraw/zinc/21/20/50/812212050.db2.gz WVWUQPUDTPXOID-SSDOTTSWSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C(C)(C)C)C1 ZINC001006488059 812212155 /nfs/dbraw/zinc/21/21/55/812212155.db2.gz WVWUQPUDTPXOID-ZETCQYMHSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C(c1cc[nH]n1)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041088850 815510844 /nfs/dbraw/zinc/51/08/44/815510844.db2.gz DYCIZKDRYRAVTL-CQSZACIVSA-N -1 0 317.353 -0.028 20 0 DBADRM CCC(=O)N[C@]12CCC[C@H]1CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001006798081 812247888 /nfs/dbraw/zinc/24/78/88/812247888.db2.gz RYTUIHSHTOYIRL-XPTSAGLGSA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001006857067 812251975 /nfs/dbraw/zinc/25/19/75/812251975.db2.gz OQWPKTPYDALYKN-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C3CCC3)C2)c1[O-] ZINC001041100384 815514737 /nfs/dbraw/zinc/51/47/37/815514737.db2.gz LFVHFLYABTXZQI-UHFFFAOYSA-N -1 0 308.338 -0.473 20 0 DBADRM Cn1[nH]c(CN2CCC[C@@H](NC(=O)Cc3cc[nH]n3)C2)nc1=O ZINC001006978321 812262208 /nfs/dbraw/zinc/26/22/08/812262208.db2.gz QEXRTEBTLNJNKC-LLVKDONJSA-N -1 0 319.369 -0.845 20 0 DBADRM Cc1c(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)nnn1C ZINC001006993050 812263199 /nfs/dbraw/zinc/26/31/99/812263199.db2.gz IAGZCPKMHYDGAQ-SECBINFHSA-N -1 0 320.357 -0.658 20 0 DBADRM COc1cc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001007166148 812273420 /nfs/dbraw/zinc/27/34/20/812273420.db2.gz JTABXHANGWJVCV-QMMMGPOBSA-N -1 0 322.325 -0.099 20 0 DBADRM Cn1nccc1CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007225655 812280071 /nfs/dbraw/zinc/28/00/71/812280071.db2.gz HTCGZOMIIOWONT-JTQLQIEISA-N -1 0 319.369 -0.433 20 0 DBADRM Cc1nnc(CC(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001007268476 812290188 /nfs/dbraw/zinc/29/01/88/812290188.db2.gz QFOXCLIYQRSWPJ-SECBINFHSA-N -1 0 321.341 -0.475 20 0 DBADRM Cc1c[nH]nc1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007304752 812295198 /nfs/dbraw/zinc/29/51/98/812295198.db2.gz QGTIYEHRBBMZAS-VIFPVBQESA-N -1 0 305.342 -0.064 20 0 DBADRM O=C(C[C@H]1CCNC1=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007488162 812316544 /nfs/dbraw/zinc/31/65/44/812316544.db2.gz LJGJZDYBJFCWTO-NXEZZACHSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC(N)=O)CC2(C)C)c1[O-] ZINC001008050644 812379192 /nfs/dbraw/zinc/37/91/92/812379192.db2.gz SWGROKQIBHZOFX-MRVPVSSYSA-N -1 0 323.353 -0.734 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008138905 812387152 /nfs/dbraw/zinc/38/71/52/812387152.db2.gz BPXDHYICGYOUES-MRVPVSSYSA-N -1 0 306.330 -0.669 20 0 DBADRM CC1(C)CN(C(=O)C2CC2)C[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001008369208 812419813 /nfs/dbraw/zinc/41/98/13/812419813.db2.gz AQEVEKGBNWJURH-QMMMGPOBSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1n[nH]cc1F ZINC001008453962 812434062 /nfs/dbraw/zinc/43/40/62/812434062.db2.gz WXPPYLKVMNAPMR-SSDOTTSWSA-N -1 0 309.305 -0.233 20 0 DBADRM O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008855720 812479747 /nfs/dbraw/zinc/47/97/47/812479747.db2.gz POSQBQZXMLZJFH-VHSXEESVSA-N -1 0 322.369 -0.740 20 0 DBADRM O=C(C[C@H]1CCC(=O)N1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008855722 812479833 /nfs/dbraw/zinc/47/98/33/812479833.db2.gz POSQBQZXMLZJFH-ZJUUUORDSA-N -1 0 322.369 -0.740 20 0 DBADRM CCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC001009327240 812530744 /nfs/dbraw/zinc/53/07/44/812530744.db2.gz GPDXGBWYPITAEA-UIKWRGBMSA-N -1 0 320.349 -0.670 20 0 DBADRM Cn1ccc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001009539473 812557387 /nfs/dbraw/zinc/55/73/87/812557387.db2.gz UTRXIQZWBBBJPV-VIFPVBQESA-N -1 0 305.342 -0.362 20 0 DBADRM CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC001009767259 812588632 /nfs/dbraw/zinc/58/86/32/812588632.db2.gz NUCGIEFMONPKAT-LPEHRKFASA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(C(=O)c2ccco2)CC1 ZINC001009904928 812603518 /nfs/dbraw/zinc/60/35/18/812603518.db2.gz KMMANWHVLMPXKM-UHFFFAOYSA-N -1 0 321.293 -0.733 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)C3=COCCO3)CC2)c1[O-] ZINC001010100378 812622333 /nfs/dbraw/zinc/62/23/33/812622333.db2.gz SMLGEDXTIVSNMQ-UHFFFAOYSA-N -1 0 322.321 -0.404 20 0 DBADRM C[C@H]1C[C@H](CNC(=O)C2CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001010236861 812641625 /nfs/dbraw/zinc/64/16/25/812641625.db2.gz LQQBOLAGMYBICQ-JGVFFNPUSA-N -1 0 321.337 -0.340 20 0 DBADRM Cn1nc(CN2CC[C@H](NC(=O)[C@@H]3CCCOCC3)C2)[n-]c1=O ZINC001010806847 812774204 /nfs/dbraw/zinc/77/42/04/812774204.db2.gz MXRVICZHIBLXMR-NEPJUHHUSA-N -1 0 323.397 -0.384 20 0 DBADRM CCn1ccnc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010806386 812774453 /nfs/dbraw/zinc/77/44/53/812774453.db2.gz PEBXRYZIBCILKB-SECBINFHSA-N -1 0 305.342 -0.269 20 0 DBADRM C[C@H](C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1)C1CC1 ZINC001010915576 812800333 /nfs/dbraw/zinc/80/03/33/812800333.db2.gz WXFUJMPBIZCVMB-QMMMGPOBSA-N -1 0 321.337 -0.387 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3csnn3)CC2)c1[O-] ZINC001011009294 812812132 /nfs/dbraw/zinc/81/21/32/812812132.db2.gz BMTIACHINFVHCR-UHFFFAOYSA-N -1 0 322.350 -0.127 20 0 DBADRM CC(C)=CC(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001011447770 812893430 /nfs/dbraw/zinc/89/34/30/812893430.db2.gz OGGWQLQSDJAGKF-RKDXNWHRSA-N -1 0 321.337 -0.032 20 0 DBADRM CC(C)[C@@H](C)C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001011736341 812939405 /nfs/dbraw/zinc/93/94/05/812939405.db2.gz BPMDROJJXOYJHX-SECBINFHSA-N -1 0 323.353 -0.141 20 0 DBADRM CC[C@@H](F)C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001011851983 812955437 /nfs/dbraw/zinc/95/54/37/812955437.db2.gz KBWWESUGLIJHNK-MRVPVSSYSA-N -1 0 315.305 -0.892 20 0 DBADRM CC(C)(C)C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001011848846 812955524 /nfs/dbraw/zinc/95/55/24/812955524.db2.gz UOUPBTUPURCQAH-UHFFFAOYSA-N -1 0 311.342 -0.594 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@H]2C)c1[O-] ZINC001011875563 812962674 /nfs/dbraw/zinc/96/26/74/812962674.db2.gz XQUGYXOLXXDROK-JGVFFNPUSA-N -1 0 319.325 -0.425 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001011878080 812963182 /nfs/dbraw/zinc/96/31/82/812963182.db2.gz XWHVXSHVFFINJJ-IUCAKERBSA-N -1 0 323.353 -0.269 20 0 DBADRM C[C@H]1[C@@H](NC(=O)C2(C)CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001011943620 812973847 /nfs/dbraw/zinc/97/38/47/812973847.db2.gz PXJOATPDHCUHDH-IUCAKERBSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)[C@H]1C ZINC001011947825 812975026 /nfs/dbraw/zinc/97/50/26/812975026.db2.gz INAHMYGLTAGELQ-GXSJLCMTSA-N -1 0 322.365 -0.139 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H]1C ZINC001012119066 813014202 /nfs/dbraw/zinc/01/42/02/813014202.db2.gz RNWOPMGVDYXXTL-SCZZXKLOSA-N -1 0 318.337 -0.803 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)C1CCC1 ZINC001012144495 813017449 /nfs/dbraw/zinc/01/74/49/813017449.db2.gz WDISUJNAKYOPBX-WCBMZHEXSA-N -1 0 323.353 -0.405 20 0 DBADRM CCCC(=O)N1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001012192930 813022154 /nfs/dbraw/zinc/02/21/54/813022154.db2.gz IXGAGMPTWJMRSW-RKDXNWHRSA-N -1 0 311.342 -0.405 20 0 DBADRM CCCC(=O)N1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001012192927 813022747 /nfs/dbraw/zinc/02/27/47/813022747.db2.gz IXGAGMPTWJMRSW-DTWKUNHWSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(C)C(=O)N1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001012317840 813036851 /nfs/dbraw/zinc/03/68/51/813036851.db2.gz AHBIVQIVIJLFFD-NXEZZACHSA-N -1 0 322.365 -0.139 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)CC2CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013416183 813138819 /nfs/dbraw/zinc/13/88/19/813138819.db2.gz YZNWEWRJTPZUNI-APPZFPTMSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C2CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013420222 813139529 /nfs/dbraw/zinc/13/95/29/813139529.db2.gz BZQRAVVNCWFOLR-HTRCEHHLSA-N -1 0 307.310 -0.588 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C(F)F)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013426332 813139607 /nfs/dbraw/zinc/13/96/07/813139607.db2.gz ZFDJFBUSLZCEGI-CRCLSJGQSA-N -1 0 317.252 -0.733 20 0 DBADRM C/C=C(\C)C(=O)N1C[C@@H]2C(NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001013480761 813141175 /nfs/dbraw/zinc/14/11/75/813141175.db2.gz DXJJPPKEQZYOBC-RCSIUORHSA-N -1 0 319.321 -0.564 20 0 DBADRM C/C=C(/C)C(=O)N1C[C@@H]2C(NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001013480750 813141250 /nfs/dbraw/zinc/14/12/50/813141250.db2.gz DXJJPPKEQZYOBC-BZBZSBCSSA-N -1 0 319.321 -0.564 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(F)F)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013493573 813141718 /nfs/dbraw/zinc/14/17/18/813141718.db2.gz VFGGYYGOIDTXCH-PHDIDXHHSA-N -1 0 319.268 -0.940 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CC3(CC(NC(=O)C(N)=O)C3)C2)c1[O-] ZINC001013990490 813193294 /nfs/dbraw/zinc/19/32/94/813193294.db2.gz SMYRGYGSUBJCMG-UHFFFAOYSA-N -1 0 321.337 -0.934 20 0 DBADRM CCC(=O)N[C@]12CCC[C@@H]1N(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC001014106186 813210120 /nfs/dbraw/zinc/21/01/20/813210120.db2.gz FMFYOMLYRZUJKO-RTHLEPHNSA-N -1 0 321.337 -0.054 20 0 DBADRM CC(=O)N1CC[C@@]2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CCC[C@H]12 ZINC001014360775 813222114 /nfs/dbraw/zinc/22/21/14/813222114.db2.gz PAHZGXHCLFSXRG-SDBXPKJASA-N -1 0 307.310 -0.444 20 0 DBADRM CCN1C[C@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001014639812 813283364 /nfs/dbraw/zinc/28/33/64/813283364.db2.gz XYTHRKPSJWQTFL-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CCC(=O)N[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001014654539 813287800 /nfs/dbraw/zinc/28/78/00/813287800.db2.gz PWVZVLUEWCTJCM-IUCAKERBSA-N -1 0 311.342 -0.405 20 0 DBADRM CCC(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001014656921 813287890 /nfs/dbraw/zinc/28/78/90/813287890.db2.gz WZTGKJWRECCEQT-HTQZYQBOSA-N -1 0 309.326 -0.198 20 0 DBADRM C[C@@H]1[C@H](NC(=O)C2CC2)CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001014682155 813291925 /nfs/dbraw/zinc/29/19/25/813291925.db2.gz ZINCHYAMLLYVPV-PSASIEDQSA-N -1 0 323.353 -0.405 20 0 DBADRM CCn1nnc(C)c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014693781 813293160 /nfs/dbraw/zinc/29/31/60/813293160.db2.gz JHFKDJZZNUOMJM-SECBINFHSA-N -1 0 320.357 -0.566 20 0 DBADRM Cc1ncc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001014697951 813294414 /nfs/dbraw/zinc/29/44/14/813294414.db2.gz CWHJAFPMQZIZCV-SECBINFHSA-N -1 0 306.326 -0.260 20 0 DBADRM O=C(C[C@H]1CCC(=O)NC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014702025 813295683 /nfs/dbraw/zinc/29/56/83/813295683.db2.gz VAGIVKYHNWMLPG-NXEZZACHSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc2n(n1)CCO2 ZINC001014737456 813301627 /nfs/dbraw/zinc/30/16/27/813301627.db2.gz QMNQUIYFPMEEDJ-MRVPVSSYSA-N -1 0 319.325 -0.897 20 0 DBADRM CCc1c[nH]c(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001014790732 813311868 /nfs/dbraw/zinc/31/18/68/813311868.db2.gz XWTTZFCQPBKNJZ-JTQLQIEISA-N -1 0 319.369 -0.271 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001014798993 813314383 /nfs/dbraw/zinc/31/43/83/813314383.db2.gz WGSHBOPJDQYQGR-OPRDCNLKSA-N -1 0 317.353 -0.272 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014838137 813320418 /nfs/dbraw/zinc/32/04/18/813320418.db2.gz JOFIPRRTYUNYQK-SSDOTTSWSA-N -1 0 307.314 -0.748 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C)c1[O-] ZINC001014876279 813330595 /nfs/dbraw/zinc/33/05/95/813330595.db2.gz DWGWXYLZSKYHCM-HTQZYQBOSA-N -1 0 309.326 -0.982 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001014968691 813343649 /nfs/dbraw/zinc/34/36/49/813343649.db2.gz PGGZCGQZUVUYTH-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CCc1c(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001015081732 813365699 /nfs/dbraw/zinc/36/56/99/813365699.db2.gz QXYNCLIGCQJKRW-VIFPVBQESA-N -1 0 319.369 -0.190 20 0 DBADRM Cc1nc(CN2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)co1 ZINC001015109734 813370318 /nfs/dbraw/zinc/37/03/18/813370318.db2.gz LYTSVJFOHAPQGT-QMMMGPOBSA-N -1 0 320.309 -0.416 20 0 DBADRM Cn1ccc(CN2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001015109989 813370817 /nfs/dbraw/zinc/37/08/17/813370817.db2.gz ORXZPQIBDQEUQS-QMMMGPOBSA-N -1 0 319.325 -0.979 20 0 DBADRM O=C(N[C@H]1CCN(Cc2ncccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015110514 813370938 /nfs/dbraw/zinc/37/09/38/813370938.db2.gz UGPHBTCQPNEAQZ-QMMMGPOBSA-N -1 0 317.309 -0.923 20 0 DBADRM CC(=O)N1CCC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H]1C ZINC001015115640 813371743 /nfs/dbraw/zinc/37/17/43/813371743.db2.gz NEMNNYBDPJUQLL-KWQFWETISA-N -1 0 308.338 -0.385 20 0 DBADRM Cc1conc1CN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015120176 813373449 /nfs/dbraw/zinc/37/34/49/813373449.db2.gz OMGDNAVYMZMUBI-QMMMGPOBSA-N -1 0 320.309 -0.416 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)[C@H]2C)c1[O-] ZINC001015176647 813381632 /nfs/dbraw/zinc/38/16/32/813381632.db2.gz FKACSTYTHKTQAZ-SFYZADRCSA-N -1 0 309.326 -0.982 20 0 DBADRM Cc1cc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001015258126 813398444 /nfs/dbraw/zinc/39/84/44/813398444.db2.gz WJCMLIXRZFLBPF-JTQLQIEISA-N -1 0 319.369 -0.515 20 0 DBADRM CC(=O)N[C@H]1CC[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001015278326 813401659 /nfs/dbraw/zinc/40/16/59/813401659.db2.gz XTGMUGLXVNPROY-UWVGGRQHSA-N -1 0 308.338 -0.480 20 0 DBADRM O=C(NC[C@@H]1CC[C@H](NC(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015285314 813402156 /nfs/dbraw/zinc/40/21/56/813402156.db2.gz ACDYWQVRFHXRSK-APPZFPTMSA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001015321809 813406674 /nfs/dbraw/zinc/40/66/74/813406674.db2.gz UFNMVLDAPSYRIH-ZTHPDXAWSA-N -1 0 319.365 -0.376 20 0 DBADRM NC(=O)C(=O)N[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC001015641059 813485468 /nfs/dbraw/zinc/48/54/68/813485468.db2.gz XUVCBGXTBDGGGB-SSDOTTSWSA-N -1 0 321.362 -0.427 20 0 DBADRM O=C(Cc1cscn1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015801079 813528559 /nfs/dbraw/zinc/52/85/59/813528559.db2.gz KJQUKEXGPCCZCL-MRVPVSSYSA-N -1 0 308.367 -0.100 20 0 DBADRM Cc1ncc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c(C)n1 ZINC001015869020 813547427 /nfs/dbraw/zinc/54/74/27/813547427.db2.gz GROLQIMBANDBMQ-SNVBAGLBSA-N -1 0 317.353 -0.079 20 0 DBADRM CC(C)n1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001015913096 813560401 /nfs/dbraw/zinc/56/04/01/813560401.db2.gz LNOFQEJAVMDNOV-SECBINFHSA-N -1 0 320.357 -0.313 20 0 DBADRM COc1ccc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001015947122 813570863 /nfs/dbraw/zinc/57/08/63/813570863.db2.gz JEUMQQMJBAFJPZ-QMMMGPOBSA-N -1 0 319.325 -0.687 20 0 DBADRM CC(C)(C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1c[nH]cn1 ZINC001016002487 813586517 /nfs/dbraw/zinc/58/65/17/813586517.db2.gz VDWXEGRDQLMBDX-SECBINFHSA-N -1 0 319.369 -0.098 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn2cc[nH]c12 ZINC001016103402 813598507 /nfs/dbraw/zinc/59/85/07/813598507.db2.gz ISIJQOOXVXWUNW-MRVPVSSYSA-N -1 0 316.325 -0.510 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn2cc[nH]c12 ZINC001016103403 813598583 /nfs/dbraw/zinc/59/85/83/813598583.db2.gz ISIJQOOXVXWUNW-QMMMGPOBSA-N -1 0 316.325 -0.510 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(Cc2cccnc2)C1 ZINC001016109265 813599324 /nfs/dbraw/zinc/59/93/24/813599324.db2.gz BRSFGKDTRYBSAM-LLVKDONJSA-N -1 0 318.337 -0.525 20 0 DBADRM Cc1cc(CN2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)on1 ZINC001016110751 813599890 /nfs/dbraw/zinc/59/98/90/813599890.db2.gz MWPKMUCCUXIGDU-SECBINFHSA-N -1 0 322.325 -0.624 20 0 DBADRM Cc1oncc1CN1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016110240 813600159 /nfs/dbraw/zinc/60/01/59/813600159.db2.gz KIUDYMNMGJDLPS-SNVBAGLBSA-N -1 0 322.325 -0.624 20 0 DBADRM Cc1nocc1CN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016111500 813600442 /nfs/dbraw/zinc/60/04/42/813600442.db2.gz RGOVLYYYJYXEHM-JTQLQIEISA-N -1 0 322.325 -0.624 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(Cc2cncs2)C1 ZINC001016112193 813600472 /nfs/dbraw/zinc/60/04/72/813600472.db2.gz WDKCCMWCIHSIJY-QMMMGPOBSA-N -1 0 324.366 -0.464 20 0 DBADRM CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001016128062 813602815 /nfs/dbraw/zinc/60/28/15/813602815.db2.gz LQVBVLPZLYHCDX-GHMZBOCLSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C(=O)C1CC1)C1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001016154809 813609563 /nfs/dbraw/zinc/60/95/63/813609563.db2.gz KKRTVTJVKQYOMO-UHFFFAOYSA-N -1 0 320.349 -0.385 20 0 DBADRM CN(C(=O)C1CCC1)C1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001016155761 813610083 /nfs/dbraw/zinc/61/00/83/813610083.db2.gz HTXLKWZWMYJXPS-UHFFFAOYSA-N -1 0 321.337 -0.198 20 0 DBADRM CN1C[C@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCC1=O ZINC001016355514 813656698 /nfs/dbraw/zinc/65/66/98/813656698.db2.gz XEQKUZDAUBNRHO-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CCn1nc(C)c(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001016423153 813667628 /nfs/dbraw/zinc/66/76/28/813667628.db2.gz FFGLQELBCJKPDA-SECBINFHSA-N -1 0 320.357 -0.566 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC=C(CNC(=O)C2CC2)CC1 ZINC001017225748 813776551 /nfs/dbraw/zinc/77/65/51/813776551.db2.gz TVYMZRUDELRKDA-UHFFFAOYSA-N -1 0 321.337 -0.626 20 0 DBADRM CC[C@@H](C(N)=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-] ZINC001017480323 813799147 /nfs/dbraw/zinc/79/91/47/813799147.db2.gz MKJRTLPPKHUQGI-AXFHLTTASA-N -1 0 321.381 -0.024 20 0 DBADRM CCCC(=O)N1CC=C(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001017593348 813812050 /nfs/dbraw/zinc/81/20/50/813812050.db2.gz OITIMKSFTZMTNT-UHFFFAOYSA-N -1 0 321.337 -0.029 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C(N)=O)CC[C@@H]2C)c1[O-] ZINC001018373377 813901339 /nfs/dbraw/zinc/90/13/39/813901339.db2.gz SMXLQWLZCIDFRE-XPUUQOCRSA-N -1 0 309.326 -0.982 20 0 DBADRM CCC(=O)N1CC[C@@H](C)[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001018451984 813913816 /nfs/dbraw/zinc/91/38/16/813913816.db2.gz OMSQXGVALKFUFP-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC[C@H]1C ZINC001018600480 813935445 /nfs/dbraw/zinc/93/54/45/813935445.db2.gz ZJYJLIXTQWXZSV-MWLCHTKSSA-N -1 0 322.365 -0.280 20 0 DBADRM CC(=O)N1CC2(C1)CCN(C(=O)c1cnc([O-])n(C)c1=O)C2 ZINC001018654201 813951065 /nfs/dbraw/zinc/95/10/65/813951065.db2.gz VJWJKTMXYWQZHF-UHFFFAOYSA-N -1 0 306.322 -0.820 20 0 DBADRM CCCC(=O)N1CC2(C1)CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001018698322 813962544 /nfs/dbraw/zinc/96/25/44/813962544.db2.gz ZFMNPJDSGDBLER-UHFFFAOYSA-N -1 0 321.337 -0.243 20 0 DBADRM CC(=O)N1CCC2(CN(C(=O)c3c[n-]n4c3nccc4=O)C2)C1 ZINC001019033977 814053043 /nfs/dbraw/zinc/05/30/43/814053043.db2.gz LOJBLCKDYIVOQC-UHFFFAOYSA-N -1 0 315.333 -0.283 20 0 DBADRM CCc1cc(C(=O)N2CC[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001019558678 814188316 /nfs/dbraw/zinc/18/83/16/814188316.db2.gz GOGGGTQCFWSQRE-JTQLQIEISA-N -1 0 319.369 -0.190 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001019625281 814205117 /nfs/dbraw/zinc/20/51/17/814205117.db2.gz JQFBTWSNECDFEG-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM CC(=O)N1CC[C@@H]2OCCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001019814511 814239649 /nfs/dbraw/zinc/23/96/49/814239649.db2.gz SFCJFLGMXXKZIS-MNOVXSKESA-N -1 0 308.338 -0.114 20 0 DBADRM Cn1cncc1C(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001023471683 814383387 /nfs/dbraw/zinc/38/33/87/814383387.db2.gz KCPRQPUWUSPYFQ-SNVBAGLBSA-N -1 0 319.369 -0.114 20 0 DBADRM Cc1ccc(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001033072833 814404987 /nfs/dbraw/zinc/40/49/87/814404987.db2.gz WNDAIKVNRNHUEB-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM CN(C(=O)[C@]1(C)CNC(=O)C1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033289798 814465403 /nfs/dbraw/zinc/46/54/03/814465403.db2.gz LXOFQYYTLYXUOZ-OTYXRUKQSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C(=O)c1cn(C)c(=O)[nH]1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033392137 814499454 /nfs/dbraw/zinc/49/94/54/814499454.db2.gz WLWVLLZDSKTCPA-QMMMGPOBSA-N -1 0 321.341 -0.704 20 0 DBADRM CN(C(=O)[C@]1(C)CCOC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033536260 814535574 /nfs/dbraw/zinc/53/55/74/814535574.db2.gz KWKDZKBEYFSXHM-IINYFYTJSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCN(C/C=C/Cl)C1 ZINC001033617541 814552859 /nfs/dbraw/zinc/55/28/59/814552859.db2.gz VNJSCIPJDBXZQY-LXOKAJLYSA-N -1 0 315.761 -0.026 20 0 DBADRM CCN(C(=O)c1cnnn1C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033820960 814590601 /nfs/dbraw/zinc/59/06/01/814590601.db2.gz NDICIOAXIPHXRK-SECBINFHSA-N -1 0 320.357 -0.625 20 0 DBADRM CCN(C(=O)c1cnnn1C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033820961 814591343 /nfs/dbraw/zinc/59/13/43/814591343.db2.gz NDICIOAXIPHXRK-VIFPVBQESA-N -1 0 320.357 -0.625 20 0 DBADRM CCN(C(=O)c1cncn1C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033885564 814601415 /nfs/dbraw/zinc/60/14/15/814601415.db2.gz UMOBCVPNUZLUHF-SNVBAGLBSA-N -1 0 319.369 -0.020 20 0 DBADRM O=C(Cn1cccn1)N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034103885 814633955 /nfs/dbraw/zinc/63/39/55/814633955.db2.gz DDQLHFWJQIAQHX-LLVKDONJSA-N -1 0 319.369 -0.122 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCCN([C@@H](C)C(N)=O)C2)c1[O-] ZINC001034165431 814638001 /nfs/dbraw/zinc/63/80/01/814638001.db2.gz NNZJBHYPPRLNEF-VHSXEESVSA-N -1 0 309.370 -0.118 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCCN([C@H](C)C(N)=O)C2)c1[O-] ZINC001034165432 814638543 /nfs/dbraw/zinc/63/85/43/814638543.db2.gz NNZJBHYPPRLNEF-ZJUUUORDSA-N -1 0 309.370 -0.118 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCCN([C@H]3CCNC3=O)C2)c1[O-] ZINC001034168082 814639029 /nfs/dbraw/zinc/63/90/29/814639029.db2.gz GVPCYYCNBOHOPU-MNOVXSKESA-N -1 0 321.381 -0.103 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034555045 814699469 /nfs/dbraw/zinc/69/94/69/814699469.db2.gz WVWDIYRMHLOUHV-SECBINFHSA-N -1 0 321.341 -0.014 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)C1CC=CC1 ZINC001035322996 814893065 /nfs/dbraw/zinc/89/30/65/814893065.db2.gz KCRYVRYWNRCRNM-LLVKDONJSA-N -1 0 307.354 -0.207 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@@H]1CC1(F)F ZINC001035358546 814904319 /nfs/dbraw/zinc/90/43/19/814904319.db2.gz NNLXHGLJGXXQSA-YUMQZZPRSA-N -1 0 317.296 -0.518 20 0 DBADRM Cc1c[nH]nc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035364860 814907767 /nfs/dbraw/zinc/90/77/67/814907767.db2.gz LOYNJTZGPMBNIM-SECBINFHSA-N -1 0 321.341 -0.827 20 0 DBADRM CNC(=O)CN1CC[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21 ZINC001042015645 815798401 /nfs/dbraw/zinc/79/84/01/815798401.db2.gz JUVADVVRJNXMJO-QWRGUYRKSA-N -1 0 321.381 -0.294 20 0 DBADRM CN(C(=O)c1ccc(F)nc1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001042547626 815947504 /nfs/dbraw/zinc/94/75/04/815947504.db2.gz RMTJSCBIERDDHD-UHFFFAOYSA-N -1 0 320.328 -0.401 20 0 DBADRM CCCCC(=O)N1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001042572895 815956378 /nfs/dbraw/zinc/95/63/78/815956378.db2.gz SCPJODJUANXWOH-UHFFFAOYSA-N -1 0 310.354 -0.083 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)C3CCCC3)C2)c1[O-] ZINC001042571917 815956416 /nfs/dbraw/zinc/95/64/16/815956416.db2.gz BHNCZTBCLGIIPY-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN([C@H](C)C(=O)N(C)C)C2)c1[O-] ZINC001042620190 815970045 /nfs/dbraw/zinc/97/00/45/815970045.db2.gz XMLDBFFZQGYDCG-SECBINFHSA-N -1 0 309.370 -0.343 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN([C@H]3CCCNC3=O)C2)c1[O-] ZINC001042619392 815970212 /nfs/dbraw/zinc/97/02/12/815970212.db2.gz BAPXJRWRGWMGFF-JTQLQIEISA-N -1 0 307.354 -0.541 20 0 DBADRM C[C@@H]1CN(c2ncccn2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001042663253 815984754 /nfs/dbraw/zinc/98/47/54/815984754.db2.gz UORRMFPFZHBTMX-HTQZYQBOSA-N -1 0 317.309 -0.673 20 0 DBADRM C[C@H]1OCCC[C@@H]1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042661723 815985172 /nfs/dbraw/zinc/98/51/72/815985172.db2.gz KWHANPHPSCZEIG-KOLCDFICSA-N -1 0 309.370 -0.032 20 0 DBADRM CN(C(=O)Cc1ccnn1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042666257 815985944 /nfs/dbraw/zinc/98/59/44/815985944.db2.gz VIAGUWJZBNWVNZ-UHFFFAOYSA-N -1 0 305.342 -0.871 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(Cc2ccon2)C1 ZINC001043230947 816149301 /nfs/dbraw/zinc/14/93/01/816149301.db2.gz KGCXOCPTELWGFW-UHFFFAOYSA-N -1 0 306.282 -0.773 20 0 DBADRM Cc1cc(CN2CC(N(C)C(=O)c3n[nH]c(=O)[n-]c3=O)C2)on1 ZINC001043231243 816149464 /nfs/dbraw/zinc/14/94/64/816149464.db2.gz XWVWPYIPYTUCQP-UHFFFAOYSA-N -1 0 320.309 -0.464 20 0 DBADRM Cc1conc1CN1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001043231176 816149653 /nfs/dbraw/zinc/14/96/53/816149653.db2.gz VLENHRKVJPZOBT-UHFFFAOYSA-N -1 0 320.309 -0.464 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(Cc2cnns2)C1 ZINC001043230946 816149679 /nfs/dbraw/zinc/14/96/79/816149679.db2.gz KEHBVXNVBHWBJK-UHFFFAOYSA-N -1 0 323.338 -0.909 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(Cc2cccnc2)C1 ZINC001043231087 816149794 /nfs/dbraw/zinc/14/97/94/816149794.db2.gz QIKGQNSYDDTJHZ-UHFFFAOYSA-N -1 0 316.321 -0.366 20 0 DBADRM C[C@@H]1CC[C@@H](CN2CC(N(C)C(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC001043230866 816149853 /nfs/dbraw/zinc/14/98/53/816149853.db2.gz GUFAZXVMVWHYJB-SCZZXKLOSA-N -1 0 323.353 -0.394 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(CCC(F)(F)F)C1 ZINC001043231184 816149896 /nfs/dbraw/zinc/14/98/96/816149896.db2.gz VTAXOFKYWQSWIK-UHFFFAOYSA-N -1 0 321.259 -0.009 20 0 DBADRM CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043413859 816184581 /nfs/dbraw/zinc/18/45/81/816184581.db2.gz IMPODUNCNFNXCH-YPMHNXCESA-N -1 0 321.381 -0.032 20 0 DBADRM C[C@@H]1OCC[C@]1(C)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043457222 816193787 /nfs/dbraw/zinc/19/37/87/816193787.db2.gz UEGXDIOIGWZRJV-XPTSAGLGSA-N -1 0 309.370 -0.032 20 0 DBADRM COc1nn(C)cc1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043508318 816206703 /nfs/dbraw/zinc/20/67/03/816206703.db2.gz KXHQTBYVKDFTAC-UHFFFAOYSA-N -1 0 321.341 -0.791 20 0 DBADRM CN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(Cc2ccon2)C1 ZINC001043512047 816208063 /nfs/dbraw/zinc/20/80/63/816208063.db2.gz YRNCTDOKPMTGCK-UHFFFAOYSA-N -1 0 319.321 -0.570 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043594339 816231737 /nfs/dbraw/zinc/23/17/37/816231737.db2.gz PVTRBLIIBRVJSZ-UHFFFAOYSA-N -1 0 319.325 -0.729 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1Nc1ncccn1 ZINC001043620560 816235776 /nfs/dbraw/zinc/23/57/76/816235776.db2.gz HKWQNDYJFYRCTK-HTQZYQBOSA-N -1 0 317.309 -0.355 20 0 DBADRM COc1ncccc1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043728207 816262380 /nfs/dbraw/zinc/26/23/80/816262380.db2.gz AHFUKQGAGIQVOD-UHFFFAOYSA-N -1 0 318.337 -0.130 20 0 DBADRM CN(C(=O)CC1=CCOCC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043759405 816267650 /nfs/dbraw/zinc/26/76/50/816267650.db2.gz JHVZCVZICLTOOC-UHFFFAOYSA-N -1 0 307.354 -0.110 20 0 DBADRM C[C@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCO1 ZINC001043806815 816275387 /nfs/dbraw/zinc/27/53/87/816275387.db2.gz CGNXQMNZAMBQHB-GXSJLCMTSA-N -1 0 309.370 -0.032 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3nccnc3F)C[C@@H]2O)c1[O-] ZINC001043893157 816309046 /nfs/dbraw/zinc/30/90/46/816309046.db2.gz MESBVRMHMDVOEQ-SFYZADRCSA-N -1 0 322.300 -0.668 20 0 DBADRM CCn1ccc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001044002576 816332728 /nfs/dbraw/zinc/33/27/28/816332728.db2.gz CYXRZFUMEYDSTB-UHFFFAOYSA-N -1 0 305.342 -0.317 20 0 DBADRM COc1cncc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001044009603 816334805 /nfs/dbraw/zinc/33/48/05/816334805.db2.gz LWNTZARGLGZPKV-UHFFFAOYSA-N -1 0 319.325 -0.735 20 0 DBADRM C[C@H](O)CN1CC(N(C)C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001044016795 816336823 /nfs/dbraw/zinc/33/68/23/816336823.db2.gz ACKTZZCZUOTOCV-VIFPVBQESA-N -1 0 305.338 -0.840 20 0 DBADRM CC(C)CN1CC(N(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001044061344 816346987 /nfs/dbraw/zinc/34/69/87/816346987.db2.gz FFZVDYAVCBUICR-UHFFFAOYSA-N -1 0 318.381 -0.130 20 0 DBADRM CN(C(=O)[C@]1(C)CCCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044102091 816356712 /nfs/dbraw/zinc/35/67/12/816356712.db2.gz JPUAOKPBJKONDN-CQSZACIVSA-N -1 0 309.370 -0.030 20 0 DBADRM CC(=O)N1CC[C@H](C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001044239426 816390135 /nfs/dbraw/zinc/39/01/35/816390135.db2.gz CMUQQRVOOPJHSA-JTQLQIEISA-N -1 0 322.369 -0.979 20 0 DBADRM CC[C@H](F)CN1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001044237176 816390527 /nfs/dbraw/zinc/39/05/27/816390527.db2.gz XGTMFKBCXPKTKZ-QMMMGPOBSA-N -1 0 301.322 -0.420 20 0 DBADRM CN(C(=O)[C@@H]1CCCC(=O)N1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044244655 816392035 /nfs/dbraw/zinc/39/20/35/816392035.db2.gz QBFFATXUMTWNDF-JTQLQIEISA-N -1 0 322.369 -0.836 20 0 DBADRM C[C@@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn(C)c1 ZINC001044399589 816435795 /nfs/dbraw/zinc/43/57/95/816435795.db2.gz VDFABQUINMGKJF-SECBINFHSA-N -1 0 319.369 -0.310 20 0 DBADRM CC[C@@H](F)C(=O)NCC1(O)CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001044801737 816502796 /nfs/dbraw/zinc/50/27/96/816502796.db2.gz UKVYGHAHUDBMQF-MRVPVSSYSA-N -1 0 314.317 -0.525 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]2CNCc2ncnn2C)c1[O-] ZINC001044999226 816537780 /nfs/dbraw/zinc/53/77/80/816537780.db2.gz TZLDOZQCTJCCOB-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@]1(NC(=O)c2cc[n+]([O-])cc2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046125794 816762071 /nfs/dbraw/zinc/76/20/71/816762071.db2.gz WAERIJFWEZTBBF-AWEZNQCLSA-N -1 0 318.337 -0.462 20 0 DBADRM Cc1cc(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001046176691 816771759 /nfs/dbraw/zinc/77/17/59/816771759.db2.gz DYQTUNMQOROBBQ-CQSZACIVSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(Cc3nncn3C)C2)c1[O-] ZINC001046246409 816792892 /nfs/dbraw/zinc/79/28/92/816792892.db2.gz ISCZDYUAUXPDJQ-AWEZNQCLSA-N -1 0 319.369 -0.053 20 0 DBADRM Cn1oc(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)cc1=O ZINC001046275145 816799287 /nfs/dbraw/zinc/79/92/87/816799287.db2.gz NXHRAPXFSBFSOF-ZDUSSCGKSA-N -1 0 322.325 -0.804 20 0 DBADRM Cc1c[nH]nc1C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046311802 816815708 /nfs/dbraw/zinc/81/57/08/816815708.db2.gz QJYPRHGGLBVMNN-CYBMUJFWSA-N -1 0 305.342 -0.064 20 0 DBADRM C[C@]1(NC(=O)[C@]23C[C@H]2COC3)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046333665 816819512 /nfs/dbraw/zinc/81/95/12/816819512.db2.gz SSCFRSDLMBXMMR-HERUPUMHSA-N -1 0 307.354 -0.373 20 0 DBADRM CN1C[C@H](C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001046360941 816827105 /nfs/dbraw/zinc/82/71/05/816827105.db2.gz ZIIMOJKRBLBPOT-YMTOWFKASA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@@]1(NC(=O)[C@@H]2CCCNC2=O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046395026 816835622 /nfs/dbraw/zinc/83/56/22/816835622.db2.gz ZLUHZKVVBNYRAH-YMTOWFKASA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@]1(NC(=O)[C@H]2CCCC(=O)N2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046402587 816839519 /nfs/dbraw/zinc/83/95/19/816839519.db2.gz IZJDEQRBEJVILT-OTYXRUKQSA-N -1 0 322.369 -0.740 20 0 DBADRM Cn1c(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)c[nH]c1=O ZINC001046543816 816878233 /nfs/dbraw/zinc/87/82/33/816878233.db2.gz QZBINGZGEPMBBD-CYBMUJFWSA-N -1 0 321.341 -0.656 20 0 DBADRM Cc1ncc(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC001046574066 816891238 /nfs/dbraw/zinc/89/12/38/816891238.db2.gz PPHPSMCUNCCIES-AWEZNQCLSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@]1(NC(=O)c2ncccn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046718406 816932827 /nfs/dbraw/zinc/93/28/27/816932827.db2.gz CIDVMHFGNPHXHU-ZDUSSCGKSA-N -1 0 303.326 -0.305 20 0 DBADRM Cc1nc[nH]c1C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046877554 816968211 /nfs/dbraw/zinc/96/82/11/816968211.db2.gz VWEMVKXSCKUIKL-CYBMUJFWSA-N -1 0 305.342 -0.064 20 0 DBADRM CC(=O)N1CC(O)(CNC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC001046940326 816984461 /nfs/dbraw/zinc/98/44/61/816984461.db2.gz YLRCXCJBYPEDOR-UHFFFAOYSA-N -1 0 316.317 -0.342 20 0 DBADRM CN(C(=O)c1ccccn1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047279958 817035684 /nfs/dbraw/zinc/03/56/84/817035684.db2.gz FUIFQVFPCDDWDG-QWRGUYRKSA-N -1 0 318.337 -0.777 20 0 DBADRM CN(C(=O)c1ccccc1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047286676 817037900 /nfs/dbraw/zinc/03/79/00/817037900.db2.gz DHJUAWPUXFTGOR-RYUDHWBXSA-N -1 0 317.349 -0.172 20 0 DBADRM CN(C(=O)CC1CCC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047333449 817072213 /nfs/dbraw/zinc/07/22/13/817072213.db2.gz DZIOPVBMELXCFQ-QWRGUYRKSA-N -1 0 309.370 -0.296 20 0 DBADRM CN(C(=O)[C@]12C[C@H]1CCC2)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047464498 817150938 /nfs/dbraw/zinc/15/09/38/817150938.db2.gz ZQQVRTQQIKTPDU-DZHLUBAWSA-N -1 0 321.381 -0.296 20 0 DBADRM CCO[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048699759 817405155 /nfs/dbraw/zinc/40/51/55/817405155.db2.gz WBLBTGYJLMUQMF-WRWGMCAJSA-N -1 0 321.381 -0.175 20 0 DBADRM CO[C@@H](C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1)C1CC1 ZINC001048794656 817438613 /nfs/dbraw/zinc/43/86/13/817438613.db2.gz YEDJTTSNSQTFRJ-NTZNESFSSA-N -1 0 321.381 -0.175 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)CO1 ZINC001048903866 817476680 /nfs/dbraw/zinc/47/66/80/817476680.db2.gz QMLDQTPOPBSQRM-KKOKHZNYSA-N -1 0 321.381 -0.175 20 0 DBADRM C[C@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001049138561 817541603 /nfs/dbraw/zinc/54/16/03/817541603.db2.gz SCGTYGOFIAOPFD-WISYIIOYSA-N -1 0 321.381 -0.175 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]3[C@H]2CCN3CC(N)=O)c1[O-] ZINC001049422228 817592197 /nfs/dbraw/zinc/59/21/97/817592197.db2.gz GVDPUIMOGHAPBN-NXEZZACHSA-N -1 0 307.354 -0.412 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]3[C@H]2CCN3CC(N)=O)c1[O-] ZINC001049422231 817592258 /nfs/dbraw/zinc/59/22/58/817592258.db2.gz GVDPUIMOGHAPBN-VHSXEESVSA-N -1 0 307.354 -0.412 20 0 DBADRM O=C([C@H]1CCOC1)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001049993980 817662969 /nfs/dbraw/zinc/66/29/69/817662969.db2.gz TZJGKPAZZWRUAU-SDDRHHMPSA-N -1 0 321.381 -0.030 20 0 DBADRM CO[C@@H](C)C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001050451951 817717166 /nfs/dbraw/zinc/71/71/66/817717166.db2.gz XMAAGVGONYPLHH-JTQLQIEISA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2COCCN2C[C@@H]2CCOC2)c1[O-] ZINC001050866630 817780801 /nfs/dbraw/zinc/78/08/01/817780801.db2.gz YWBPTDBZJRXJGQ-RYUDHWBXSA-N -1 0 324.381 -0.109 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ccns1 ZINC001050942390 817800307 /nfs/dbraw/zinc/80/03/07/817800307.db2.gz ARCOQCYOJSNWQH-MRVPVSSYSA-N -1 0 324.366 -0.402 20 0 DBADRM O=C(NC[C@H]1COCCN1CC1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001051008825 817821658 /nfs/dbraw/zinc/82/16/58/817821658.db2.gz BBQSCVGHCBFOGC-VIFPVBQESA-N -1 0 309.326 -0.877 20 0 DBADRM CCCCN1CCOC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001051010523 817822543 /nfs/dbraw/zinc/82/25/43/817822543.db2.gz VGTGBZNBHRPBPG-SECBINFHSA-N -1 0 311.342 -0.487 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cn[nH]n2)CCN1c1nccn2nnnc12 ZINC001051227327 817881510 /nfs/dbraw/zinc/88/15/10/817881510.db2.gz WEBNQHSXPNFCEL-SFYZADRCSA-N -1 0 314.313 -0.965 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)[C@@H]1CC12CC2 ZINC001053937589 818045575 /nfs/dbraw/zinc/04/55/75/818045575.db2.gz GWPZUOBHKKNUCC-UWVGGRQHSA-N -1 0 319.365 -0.230 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NCc3ncnn3C)[C@@H](C)C2)c1[O-] ZINC001054566257 818140808 /nfs/dbraw/zinc/14/08/08/818140808.db2.gz ABQJOQZZSVSDFO-WPRPVWTQSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001054572204 818142544 /nfs/dbraw/zinc/14/25/44/818142544.db2.gz MIBAYFBZYWZSEC-SVRRBLITSA-N -1 0 321.341 -0.502 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@](CO)(NC(=O)C3CC3)C2)c1[O-] ZINC001055685465 818281718 /nfs/dbraw/zinc/28/17/18/818281718.db2.gz YEEYIASYPIXXJF-OAHLLOKOSA-N -1 0 322.365 -0.083 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](Nc2cnc(F)cn2)C1 ZINC001056823067 818492485 /nfs/dbraw/zinc/49/24/85/818492485.db2.gz AQQKYLIUHHWJDD-ZCFIWIBFSA-N -1 0 321.272 -0.462 20 0 DBADRM CN(c1ncccn1)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001057070498 818575543 /nfs/dbraw/zinc/57/55/43/818575543.db2.gz GRBQXWJRJBCVMT-MRVPVSSYSA-N -1 0 317.309 -0.576 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)C2(C)CC2)c1[O-] ZINC001057835548 818804325 /nfs/dbraw/zinc/80/43/25/818804325.db2.gz BHABSXALCDLEPO-UHFFFAOYSA-N -1 0 310.354 -0.225 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)c2cnco2)c1[O-] ZINC001058193359 818884018 /nfs/dbraw/zinc/88/40/18/818884018.db2.gz RMPHLNWFCRMPHT-UHFFFAOYSA-N -1 0 323.309 -0.724 20 0 DBADRM Cc1ccnc(N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001058604387 819005372 /nfs/dbraw/zinc/00/53/72/819005372.db2.gz XKCNMJDCRIJNSE-MRVPVSSYSA-N -1 0 317.309 -0.610 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](Nc2ncccn2)C1 ZINC001059270835 819126887 /nfs/dbraw/zinc/12/68/87/819126887.db2.gz QKZZTQDCZZSCLI-ZKCHVHJHSA-N -1 0 305.298 -0.761 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](CCNC(=O)CC(N)=O)C2)c1[O-] ZINC001059477503 819146526 /nfs/dbraw/zinc/14/65/26/819146526.db2.gz GFZASMLLEGCUJA-SECBINFHSA-N -1 0 323.353 -0.732 20 0 DBADRM O=C(N[C@H]1C[C@H](Nc2cc(F)ncn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001059468750 819146616 /nfs/dbraw/zinc/14/66/16/819146616.db2.gz TZJQYTNXCBOOQA-IZLXSQMJSA-N -1 0 321.272 -0.415 20 0 DBADRM CC(=O)NCC[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001059904179 819185736 /nfs/dbraw/zinc/18/57/36/819185736.db2.gz TXJUMBLNIMCTTQ-JTQLQIEISA-N -1 0 323.353 -0.410 20 0 DBADRM CC(C)C(=O)NCC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001060001679 819190376 /nfs/dbraw/zinc/19/03/76/819190376.db2.gz DLLNCGHIKJNNNJ-SECBINFHSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CNC(=O)CC(N)=O)c1[O-] ZINC001062129215 819454738 /nfs/dbraw/zinc/45/47/38/819454738.db2.gz QOSRUUQZEOLISH-SECBINFHSA-N -1 0 323.353 -0.590 20 0 DBADRM O=C(NC1(CNC(=O)C2CCC2)CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001062380777 819476013 /nfs/dbraw/zinc/47/60/13/819476013.db2.gz GXHMRMSYCBHFSM-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM CCCC(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001062403819 819479499 /nfs/dbraw/zinc/47/94/99/819479499.db2.gz WDPZUYGKBPPQKH-UHFFFAOYSA-N -1 0 309.326 -0.148 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001062437620 819484689 /nfs/dbraw/zinc/48/46/89/819484689.db2.gz GQHAAQBHOODXKD-RKDXNWHRSA-N -1 0 323.353 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3cnon3)CCC2)c1[O-] ZINC001062807966 819542479 /nfs/dbraw/zinc/54/24/79/819542479.db2.gz XJKDXVYYHGGYDF-UHFFFAOYSA-N -1 0 320.309 -0.111 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCN(c2ncccn2)C1 ZINC001062962292 819567300 /nfs/dbraw/zinc/56/73/00/819567300.db2.gz RFPRKFFJBAPLMA-VIFPVBQESA-N -1 0 319.325 -0.783 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001063866104 819641901 /nfs/dbraw/zinc/64/19/01/819641901.db2.gz WLPPYLSDFWWHCT-BDAKNGLRSA-N -1 0 323.353 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3nnc[nH]3)CCC2)c1[O-] ZINC001064000241 819656643 /nfs/dbraw/zinc/65/66/43/819656643.db2.gz XCUAPTKAJTXQHD-UHFFFAOYSA-N -1 0 319.325 -0.376 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2COCCN2c2ncccn2)c1[O-] ZINC001066474117 820007106 /nfs/dbraw/zinc/00/71/06/820007106.db2.gz DXGIYRSEJCOOTP-JTQLQIEISA-N -1 0 318.337 -0.151 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N(C)CCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001066704747 820036585 /nfs/dbraw/zinc/03/65/85/820036585.db2.gz RAVLSMPWYWAYAM-DTWKUNHWSA-N -1 0 323.353 -0.141 20 0 DBADRM CC(=O)N[C@@H]1CCc2nnc(CNCc3n[nH]c(=O)[n-]3)n2CC1 ZINC001069842764 820309460 /nfs/dbraw/zinc/30/94/60/820309460.db2.gz PAOMCFQPBBDYBD-SECBINFHSA-N -1 0 320.357 -0.767 20 0 DBADRM CCCC(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001071033847 820613523 /nfs/dbraw/zinc/61/35/23/820613523.db2.gz WRYXCESFWSEQAW-MRVPVSSYSA-N -1 0 309.326 -0.196 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1C ZINC001071912600 820807620 /nfs/dbraw/zinc/80/76/20/820807620.db2.gz CIUSLVDPWSSGRW-OIBJUYFYSA-N -1 0 323.353 -0.863 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)Cn2cncn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001072052973 820854407 /nfs/dbraw/zinc/85/44/07/820854407.db2.gz QOCAFKPHGSGXFY-VHSXEESVSA-N -1 0 320.357 -0.729 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)Cn2ccnc2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001072122087 820870675 /nfs/dbraw/zinc/87/06/75/820870675.db2.gz FNFMZKBZQKKZBO-GHMZBOCLSA-N -1 0 319.369 -0.124 20 0 DBADRM CCCC(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001072496188 820933088 /nfs/dbraw/zinc/93/30/88/820933088.db2.gz PPXSUEGAAGTQFE-MWLCHTKSSA-N -1 0 322.365 -0.137 20 0 DBADRM CC[C@H](OC)C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072533943 820945028 /nfs/dbraw/zinc/94/50/28/820945028.db2.gz XTRZTGQMRBRBMC-JTQLQIEISA-N -1 0 309.370 -0.030 20 0 DBADRM CC(=O)NC[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)CCCO1 ZINC001073501457 821138121 /nfs/dbraw/zinc/13/81/21/821138121.db2.gz KAIPTUIMSJODAY-CYBMUJFWSA-N -1 0 319.365 -0.250 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1ccn[nH]1 ZINC001073543355 821151979 /nfs/dbraw/zinc/15/19/79/821151979.db2.gz FAGZKRXMCYJGJL-VIFPVBQESA-N -1 0 321.341 -0.746 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1ncc[nH]1 ZINC001073601404 821180684 /nfs/dbraw/zinc/18/06/84/821180684.db2.gz LPKACYGGPHQKFF-SECBINFHSA-N -1 0 321.341 -0.746 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001073732310 821224045 /nfs/dbraw/zinc/22/40/45/821224045.db2.gz LRJKRAJUQRUILS-GMTAPVOTSA-N -1 0 309.370 -0.127 20 0 DBADRM O=C(C1CC1)N1CC[C@@H]2OCCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001074128354 821290451 /nfs/dbraw/zinc/29/04/51/821290451.db2.gz PMJOVERZBMXGLG-MNOVXSKESA-N -1 0 307.354 -0.278 20 0 DBADRM CCN1CCO[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC001074391944 821354107 /nfs/dbraw/zinc/35/41/07/821354107.db2.gz BKJDZPDMOLMDII-UWVGGRQHSA-N -1 0 311.342 -0.989 20 0 DBADRM C[C@@H](CCNC(=O)C(C)(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001075338770 821507037 /nfs/dbraw/zinc/50/70/37/821507037.db2.gz LKWSNZCCCXKLKP-YFKPBYRVSA-N -1 0 319.268 -0.437 20 0 DBADRM C[C@@H](CCNC(=O)c1ccco1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001075418343 821516455 /nfs/dbraw/zinc/51/64/55/821516455.db2.gz HGWKDBMWTHDMKQ-ZETCQYMHSA-N -1 0 321.293 -0.186 20 0 DBADRM Cn1cc(C(=O)N2CC[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)cn1 ZINC001075533671 821536765 /nfs/dbraw/zinc/53/67/65/821536765.db2.gz BLTHUWDNXLNDCO-GXSJLCMTSA-N -1 0 317.353 -0.410 20 0 DBADRM O=C([C@@H]1CCCOC1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075612309 821558458 /nfs/dbraw/zinc/55/84/58/821558458.db2.gz GVJNCUSQFRBKDH-QJPTWQEYSA-N -1 0 321.381 -0.030 20 0 DBADRM CC(C)C(=O)NCC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001075656460 821565890 /nfs/dbraw/zinc/56/58/90/821565890.db2.gz WNRTTWHZLOSPFJ-VIFPVBQESA-N -1 0 310.354 -0.234 20 0 DBADRM C/C=C(\C)C(=O)NCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001076092650 821663357 /nfs/dbraw/zinc/66/33/57/821663357.db2.gz NGXYLXFYVSDMMU-IPWDFOCMSA-N -1 0 309.326 -0.126 20 0 DBADRM O=C(c1csnn1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076095798 821664258 /nfs/dbraw/zinc/66/42/58/821664258.db2.gz NEPARZWQVFETIP-IONNQARKSA-N -1 0 321.366 -0.292 20 0 DBADRM O=C(c1cnco1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076103390 821664589 /nfs/dbraw/zinc/66/45/89/821664589.db2.gz WALNMXOOSMWPIW-DTWKUNHWSA-N -1 0 304.310 -0.155 20 0 DBADRM Cc1n[nH]cc1C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076112360 821666175 /nfs/dbraw/zinc/66/61/75/821666175.db2.gz BVEJVLUZEZOPCF-GXSJLCMTSA-N -1 0 317.353 -0.112 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC001076165605 821676676 /nfs/dbraw/zinc/67/66/76/821676676.db2.gz HYUIDMZEAFNSAI-IONNQARKSA-N -1 0 323.353 -0.673 20 0 DBADRM O=C(c1ccnnc1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076282318 821710847 /nfs/dbraw/zinc/71/08/47/821710847.db2.gz FEAFHRKFKKQXIN-WDEREUQCSA-N -1 0 315.337 -0.353 20 0 DBADRM O=C(c1ccncn1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076376856 821738403 /nfs/dbraw/zinc/73/84/03/821738403.db2.gz WCLIAGSDWXHZCO-GXSJLCMTSA-N -1 0 315.337 -0.353 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccccc1F ZINC001076688062 821807792 /nfs/dbraw/zinc/80/77/92/821807792.db2.gz YCBCXSOLVLCGPI-GHMZBOCLSA-N -1 0 321.312 -0.376 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)Cn2nccn2)c1[O-] ZINC001076694099 821808417 /nfs/dbraw/zinc/80/84/17/821808417.db2.gz ILQYNQVPURVFPY-QMMMGPOBSA-N -1 0 321.341 -0.660 20 0 DBADRM Cc1cccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1 ZINC001076708987 821815992 /nfs/dbraw/zinc/81/59/92/821815992.db2.gz RIMDFTHPRGPCEQ-VXGBXAGGSA-N -1 0 317.349 -0.206 20 0 DBADRM Cc1cncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1 ZINC001076837031 821885126 /nfs/dbraw/zinc/88/51/26/821885126.db2.gz LHPFYYHYOPZEBG-GHMZBOCLSA-N -1 0 318.337 -0.811 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)n1cccc1 ZINC001076894520 821910706 /nfs/dbraw/zinc/91/07/06/821910706.db2.gz HOAGEVPZRDXJMV-HBNTYKKESA-N -1 0 320.353 -0.766 20 0 DBADRM Cc1cc(C)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)[nH]1 ZINC001077239805 822042408 /nfs/dbraw/zinc/04/24/08/822042408.db2.gz QNQNMAZCJZBTCM-NXEZZACHSA-N -1 0 320.353 -0.570 20 0 DBADRM O=C(Cc1ccccc1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077242706 822043600 /nfs/dbraw/zinc/04/36/00/822043600.db2.gz HFORIEILRCSYGI-VXGBXAGGSA-N -1 0 317.349 -0.586 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)c2cnn(C)n2)c1[O-] ZINC001077384219 822095652 /nfs/dbraw/zinc/09/56/52/822095652.db2.gz PTGJUBFBYPJHNT-ZETCQYMHSA-N -1 0 321.341 -0.509 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)/C=C/C1CC1 ZINC001077578032 822158954 /nfs/dbraw/zinc/15/89/54/822158954.db2.gz JPSJAJHMZQBDAJ-ZJELKQJVSA-N -1 0 321.337 -0.126 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)c1cocn1 ZINC001077577947 822159109 /nfs/dbraw/zinc/15/91/09/822159109.db2.gz GFWUMOBXPWDKSJ-LURJTMIESA-N -1 0 322.281 -0.791 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001077577872 822159488 /nfs/dbraw/zinc/15/94/88/822159488.db2.gz CLJYMLMEOKVRMI-GJMOJQLCSA-N -1 0 309.326 -0.437 20 0 DBADRM CCc1nocc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077637682 822174608 /nfs/dbraw/zinc/17/46/08/822174608.db2.gz KVUKXYYAEJNBLE-NXEZZACHSA-N -1 0 322.325 -0.964 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CC=CC1 ZINC001077679822 822186622 /nfs/dbraw/zinc/18/66/22/822186622.db2.gz FCVJFCXEVMXSEA-VIFPVBQESA-N -1 0 323.353 -0.334 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CCCF ZINC001077680945 822187852 /nfs/dbraw/zinc/18/78/52/822187852.db2.gz DHSIBTGDDGZVOX-QMMMGPOBSA-N -1 0 317.321 -0.550 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1(C)CC1 ZINC001077680880 822188250 /nfs/dbraw/zinc/18/82/50/822188250.db2.gz AOTHFKVYFSPZLQ-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(C)C ZINC001077681242 822188581 /nfs/dbraw/zinc/18/85/81/822188581.db2.gz PUTZNIDXBBGELT-QMMMGPOBSA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1nn[nH]c1C(=O)NCC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001077703702 822195307 /nfs/dbraw/zinc/19/53/07/822195307.db2.gz ITNMVUJEYROPAC-LURJTMIESA-N -1 0 321.341 -0.211 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@@H]1CC12CCC2 ZINC001077752712 822216287 /nfs/dbraw/zinc/21/62/87/822216287.db2.gz ZPBZTQIZGHREMD-IVZWLZJFSA-N -1 0 307.354 -0.638 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)ccn1 ZINC001077870838 822255880 /nfs/dbraw/zinc/25/58/80/822255880.db2.gz PMDVJTFSSDMEEE-GHMZBOCLSA-N -1 0 318.337 -0.811 20 0 DBADRM O=C(N[C@@H]1CN(CCF)C[C@H]1O)c1ccc2oc(=O)nc-2[n-]1 ZINC001077998358 822308670 /nfs/dbraw/zinc/30/86/70/822308670.db2.gz STSKSWVVUPEOBP-RKDXNWHRSA-N -1 0 310.285 -0.327 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)Nc1ncccn1 ZINC001113364868 828488707 /nfs/dbraw/zinc/48/87/07/828488707.db2.gz VJCVCJANFBDXSI-BQBZGAKWSA-N -1 0 305.298 -0.308 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H](C)Nc1ncccn1 ZINC001113364870 828489009 /nfs/dbraw/zinc/48/90/09/828489009.db2.gz VJCVCJANFBDXSI-RNFRBKRXSA-N -1 0 305.298 -0.308 20 0 DBADRM O=C(CCCn1cncn1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113502584 828506473 /nfs/dbraw/zinc/50/64/73/828506473.db2.gz IEENZIWETUMLJL-UHFFFAOYSA-N -1 0 320.357 -0.774 20 0 DBADRM CC(C)OCCN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001113583244 828522679 /nfs/dbraw/zinc/52/26/79/828522679.db2.gz ABLGPAROUYKRKA-UHFFFAOYSA-N -1 0 313.358 -0.742 20 0 DBADRM Cc1nccc(N(C)[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001113682156 828538673 /nfs/dbraw/zinc/53/86/73/828538673.db2.gz SPFGTBUJCWBAQU-QMMMGPOBSA-N -1 0 321.341 -0.571 20 0 DBADRM COCCOCCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113714711 828542526 /nfs/dbraw/zinc/54/25/26/828542526.db2.gz LRXITSZKBUJBIW-UHFFFAOYSA-N -1 0 313.358 -0.792 20 0 DBADRM CC(C)C[C@@H](C(N)=O)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113742010 828546631 /nfs/dbraw/zinc/54/66/31/828546631.db2.gz MWYINWRHBBSRCN-JTQLQIEISA-N -1 0 324.385 -0.698 20 0 DBADRM CCN(C(=O)C(F)F)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001079186754 823849504 /nfs/dbraw/zinc/84/95/04/823849504.db2.gz BESBAZRXHSSFBV-UHFFFAOYSA-N -1 0 319.268 -0.986 20 0 DBADRM CCCC(=O)N(CC)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001079218329 823853355 /nfs/dbraw/zinc/85/33/55/823853355.db2.gz OILXTHHWKWOIFL-UHFFFAOYSA-N -1 0 311.342 -0.451 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)nn1C ZINC001079468822 823892400 /nfs/dbraw/zinc/89/24/00/823892400.db2.gz LSROFVUIVQEPFI-LDYMZIIASA-N -1 0 319.369 -0.197 20 0 DBADRM CC(C)OCCC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001113905797 828584171 /nfs/dbraw/zinc/58/41/71/828584171.db2.gz WUCYIIIXGOGWKE-IWIIMEHWSA-N -1 0 309.370 -0.128 20 0 DBADRM CCN(C(=O)CC(N)=O)C1CN(C(=O)c2c(C)nc[nH]c2=O)C1 ZINC001079538796 823911485 /nfs/dbraw/zinc/91/14/85/823911485.db2.gz NVTDZUMQZMKALL-UHFFFAOYSA-N -1 0 321.337 -0.961 20 0 DBADRM C/C=C(/C)C(=O)N(CC)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001079578890 823917631 /nfs/dbraw/zinc/91/76/31/823917631.db2.gz QRNASKCPDMNLIX-YWEYNIOJSA-N -1 0 321.337 -0.078 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@H]2C)c1[O-] ZINC001079579624 823917804 /nfs/dbraw/zinc/91/78/04/823917804.db2.gz QQJYLCHNFLZENS-LDYMZIIASA-N -1 0 321.381 -0.248 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC001079734728 823956618 /nfs/dbraw/zinc/95/66/18/823956618.db2.gz QXMRXYVUXFMEKQ-PUXPGTEJSA-N -1 0 307.354 -0.517 20 0 DBADRM Cc1ncc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)o1 ZINC001079842501 823973993 /nfs/dbraw/zinc/97/39/93/823973993.db2.gz FMKKCWKWQRQDDX-LDYMZIIASA-N -1 0 320.353 -0.014 20 0 DBADRM Cc1ccnc(N(C)[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001113967445 828597638 /nfs/dbraw/zinc/59/76/38/828597638.db2.gz FAMIWNYZXPHNSP-QMMMGPOBSA-N -1 0 319.325 -0.364 20 0 DBADRM Cc1nccc(N(C)[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001113967898 828597644 /nfs/dbraw/zinc/59/76/44/828597644.db2.gz MDRUFKLWSZKMPW-SSDOTTSWSA-N -1 0 319.325 -0.364 20 0 DBADRM Cc1ccc(N(C)[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001113967433 828597668 /nfs/dbraw/zinc/59/76/68/828597668.db2.gz DPFVAECAGPXCNB-QMMMGPOBSA-N -1 0 319.325 -0.364 20 0 DBADRM CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CN(C(C)=O)C1 ZINC001080248469 824018167 /nfs/dbraw/zinc/01/81/67/824018167.db2.gz VRVRQJBTTMJWRC-UHFFFAOYSA-N -1 0 318.337 -0.850 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001080292539 824025307 /nfs/dbraw/zinc/02/53/07/824025307.db2.gz ZDBFRQZPBYFLOF-GPTQDWHKSA-N -1 0 307.354 -0.661 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)n1 ZINC001080587260 824061083 /nfs/dbraw/zinc/06/10/83/824061083.db2.gz FBJFUDVEWFRURZ-VXNVDRBHSA-N -1 0 305.342 -0.208 20 0 DBADRM CC(=O)NC1(CO)CCN(C(=O)c2c(C)nc[nH]c2=O)CC1 ZINC001080651720 824071709 /nfs/dbraw/zinc/07/17/09/824071709.db2.gz AVXWJHJYECSJJL-UHFFFAOYSA-N -1 0 308.338 -0.406 20 0 DBADRM CC(C)=CC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC001081226223 824171080 /nfs/dbraw/zinc/17/10/80/824171080.db2.gz SJLNTSFASOMEOE-MNOVXSKESA-N -1 0 322.365 -0.061 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C(C)(C)F ZINC001081269727 824183736 /nfs/dbraw/zinc/18/37/36/824183736.db2.gz FNQUMHKOGRNGDH-HTQZYQBOSA-N -1 0 301.322 -0.426 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccncc1 ZINC001081280137 824188195 /nfs/dbraw/zinc/18/81/95/824188195.db2.gz DWFRVZXYFCYDMS-GHMZBOCLSA-N -1 0 318.337 -0.466 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cccnc1 ZINC001081282995 824189205 /nfs/dbraw/zinc/18/92/05/824189205.db2.gz WLWYNPMEEHHTRI-GHMZBOCLSA-N -1 0 318.337 -0.466 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ncoc1C ZINC001081415775 824241251 /nfs/dbraw/zinc/24/12/51/824241251.db2.gz OOCHTXNIBOYBIB-RKDXNWHRSA-N -1 0 322.325 -0.564 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cscn1 ZINC001081440516 824250271 /nfs/dbraw/zinc/25/02/71/824250271.db2.gz MKGOZKKXJMCIRT-VXNVDRBHSA-N -1 0 324.366 -0.404 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnco1 ZINC001082000968 824386332 /nfs/dbraw/zinc/38/63/32/824386332.db2.gz GJHBUIHZVXRJJV-VXNVDRBHSA-N -1 0 308.298 -0.873 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1conc1C ZINC001082088839 824398205 /nfs/dbraw/zinc/39/82/05/824398205.db2.gz ASRQBBJWZQYOKU-NXEZZACHSA-N -1 0 322.325 -0.564 20 0 DBADRM CC[C@@H](C)C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083005728 824478562 /nfs/dbraw/zinc/47/85/62/824478562.db2.gz IZYGPIYQWZTBDQ-OUAUKWLOSA-N -1 0 309.370 -0.032 20 0 DBADRM C/C=C(/C)C(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]21 ZINC001083043392 824486435 /nfs/dbraw/zinc/48/64/35/824486435.db2.gz CIRLICKGMUEHNK-WJQOWHFOSA-N -1 0 321.381 -0.514 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)oc1C ZINC001083408482 824605253 /nfs/dbraw/zinc/60/52/53/824605253.db2.gz NOKURUWHXTWXNO-ZJUUUORDSA-N -1 0 321.337 -0.305 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nccn3C)C[C@@H]2O)c1[O-] ZINC001083410701 824607250 /nfs/dbraw/zinc/60/72/50/824607250.db2.gz QOOUNAQEEQCFFA-ZJUUUORDSA-N -1 0 320.353 -0.868 20 0 DBADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083634798 824705704 /nfs/dbraw/zinc/70/57/04/824705704.db2.gz JDWFHPSUYQPRBL-DBIOUOCHSA-N -1 0 323.397 -0.146 20 0 DBADRM C[C@]1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C[C@H]2C[C@H]2C1 ZINC001083666934 824718324 /nfs/dbraw/zinc/71/83/24/824718324.db2.gz CSCWYGYGMZETCX-QSJCVTFJSA-N -1 0 321.381 -0.392 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1(C2CC2)CCC1 ZINC001083674742 824722129 /nfs/dbraw/zinc/72/21/29/824722129.db2.gz SIBGVPLRQVOTPW-MNOVXSKESA-N -1 0 321.381 -0.248 20 0 DBADRM O=C(CCc1c[nH]cn1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114383957 828685713 /nfs/dbraw/zinc/68/57/13/828685713.db2.gz AVHPBCWNWRQLLV-IWIIMEHWSA-N -1 0 317.353 -0.587 20 0 DBADRM Cc1coc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1 ZINC001083712713 824743583 /nfs/dbraw/zinc/74/35/83/824743583.db2.gz NRPQMBAVVMPETO-BDAKNGLRSA-N -1 0 307.310 -0.613 20 0 DBADRM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083790634 824775948 /nfs/dbraw/zinc/77/59/48/824775948.db2.gz UOILQHSOSOVALC-KKOKHZNYSA-N -1 0 323.397 -0.146 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)ccn1 ZINC001083876134 824802810 /nfs/dbraw/zinc/80/28/10/824802810.db2.gz PMDVJTFSSDMEEE-MNOVXSKESA-N -1 0 318.337 -0.811 20 0 DBADRM O=C(c1cncnc1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084296601 824919363 /nfs/dbraw/zinc/91/93/63/824919363.db2.gz RVYQLCXJRISQTK-MWLCHTKSSA-N -1 0 315.337 -0.353 20 0 DBADRM Cc1n[nH]nc1C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084567557 824949572 /nfs/dbraw/zinc/94/95/72/824949572.db2.gz AMKVVUQOTATLKM-RKDXNWHRSA-N -1 0 318.341 -0.717 20 0 DBADRM O=C(c1cnon1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084731792 824970850 /nfs/dbraw/zinc/97/08/50/824970850.db2.gz PKLZBELDBQJUCY-VXNVDRBHSA-N -1 0 305.298 -0.760 20 0 DBADRM Cc1nonc1C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084868230 824989474 /nfs/dbraw/zinc/98/94/74/824989474.db2.gz YZJTVWWDESNMTL-RKDXNWHRSA-N -1 0 319.325 -0.452 20 0 DBADRM O=C(CCn1ccnc1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114652780 828722831 /nfs/dbraw/zinc/72/28/31/828722831.db2.gz SRQSFYWAIWYSRY-IWIIMEHWSA-N -1 0 317.353 -0.657 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1C ZINC001085504817 825029164 /nfs/dbraw/zinc/02/91/64/825029164.db2.gz FZUBFCCRLSZAAX-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001085543565 825038587 /nfs/dbraw/zinc/03/85/87/825038587.db2.gz ADOCQFSMJKVWQW-UWVGGRQHSA-N -1 0 309.370 -0.295 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cn(C)cn1 ZINC001085548138 825040963 /nfs/dbraw/zinc/04/09/63/825040963.db2.gz MURZUUKTTYUGLF-SECBINFHSA-N -1 0 305.342 -0.410 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2Cc2ncnn2C)c1[O-] ZINC001085550438 825041798 /nfs/dbraw/zinc/04/17/98/825041798.db2.gz UMBRSGYEQLTQMH-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2[C@@H]2CCNC2=O)c1[O-] ZINC001085549856 825042259 /nfs/dbraw/zinc/04/22/59/825042259.db2.gz FPZPVTIEFCHHHT-NXEZZACHSA-N -1 0 307.354 -0.541 20 0 DBADRM CCn1nncc1C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085581876 825055575 /nfs/dbraw/zinc/05/55/75/825055575.db2.gz WDNQZYXKCYIFDZ-SECBINFHSA-N -1 0 320.357 -0.532 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@]12C[C@H]1COC2 ZINC001085608942 825062677 /nfs/dbraw/zinc/06/26/77/825062677.db2.gz FESHEYIBGUINJX-BHDSKKPTSA-N -1 0 307.354 -0.421 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085658675 825076566 /nfs/dbraw/zinc/07/65/66/825076566.db2.gz YDBLYADUQNGLPZ-QMMMGPOBSA-N -1 0 321.341 -0.406 20 0 DBADRM CN(C[C@H]1CCN1Cc1ccon1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001085699493 825088757 /nfs/dbraw/zinc/08/87/57/825088757.db2.gz OYLOLSBXNJAYKW-SECBINFHSA-N -1 0 320.309 -0.383 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cncn1C ZINC001085702674 825090639 /nfs/dbraw/zinc/09/06/39/825090639.db2.gz WWJMCJKQGMYGFG-VIFPVBQESA-N -1 0 305.342 -0.410 20 0 DBADRM Cc1ncc(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1C ZINC001085783926 825110546 /nfs/dbraw/zinc/11/05/46/825110546.db2.gz IICWVUFTSPCQSI-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCC(=O)N1C ZINC001085781023 825110622 /nfs/dbraw/zinc/11/06/22/825110622.db2.gz JSODTEJGVOOWJF-VHSXEESVSA-N -1 0 322.369 -0.836 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ccncn1 ZINC001085882305 825130447 /nfs/dbraw/zinc/13/04/47/825130447.db2.gz AGBSZGXULIOYQL-VIFPVBQESA-N -1 0 303.326 -0.353 20 0 DBADRM C[C@H]1CC2(CN1C(=O)C(N)=O)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001086939852 825306148 /nfs/dbraw/zinc/30/61/48/825306148.db2.gz ASOJBDFKORVFLB-VIFPVBQESA-N -1 0 322.369 -0.801 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)c2cn[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087638344 825347416 /nfs/dbraw/zinc/34/74/16/825347416.db2.gz NKIKLPSIJWLALO-IONNQARKSA-N -1 0 306.330 -0.589 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)c2[nH]nnc2C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087682051 825352560 /nfs/dbraw/zinc/35/25/60/825352560.db2.gz CZNJMBCEKPOENV-DTWKUNHWSA-N -1 0 320.357 -0.280 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087760219 825359387 /nfs/dbraw/zinc/35/93/87/825359387.db2.gz CIJMKKZXXOIKBM-WCBMZHEXSA-N -1 0 320.357 -0.578 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)[nH]n1 ZINC001088482955 825427660 /nfs/dbraw/zinc/42/76/60/825427660.db2.gz IWGCPZYSTDTQJX-BDAKNGLRSA-N -1 0 305.342 -0.065 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)nn1C ZINC001088485139 825428324 /nfs/dbraw/zinc/42/83/24/825428324.db2.gz SPRDPYSVPBGGGZ-ZJUUUORDSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cc2ccnn2C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088545199 825436942 /nfs/dbraw/zinc/43/69/42/825436942.db2.gz UOXFEWMZCVPFHE-KOLCDFICSA-N -1 0 319.369 -0.435 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCNC2=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088617991 825445745 /nfs/dbraw/zinc/44/57/45/825445745.db2.gz HEJPMMCJWXOFKJ-UTLUCORTSA-N -1 0 322.369 -0.885 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)C2=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088805101 825462839 /nfs/dbraw/zinc/46/28/39/825462839.db2.gz UONVVPPUHMOVFK-BBBLOLIVSA-N -1 0 322.369 -0.932 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCCC1 ZINC001090007253 825544072 /nfs/dbraw/zinc/54/40/72/825544072.db2.gz QKIQCDZJLXWDIW-MNOVXSKESA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccccn1 ZINC001090013765 825546193 /nfs/dbraw/zinc/54/61/93/825546193.db2.gz OUDNWHFORBQDOO-MWLCHTKSSA-N -1 0 318.337 -0.730 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cccnc1 ZINC001090016923 825547603 /nfs/dbraw/zinc/54/76/03/825547603.db2.gz QGJNZMJTAXAVIN-GHMZBOCLSA-N -1 0 318.337 -0.730 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)no1 ZINC001090033370 825551871 /nfs/dbraw/zinc/55/18/71/825551871.db2.gz ZUHWLMBAPPLVAY-PSASIEDQSA-N -1 0 322.325 -0.828 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cscn1 ZINC001090135164 825579255 /nfs/dbraw/zinc/57/92/55/825579255.db2.gz UBTMPMOSJPKHLP-CBAPKCEASA-N -1 0 324.366 -0.668 20 0 DBADRM Cn1ccc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1 ZINC001090187987 825591930 /nfs/dbraw/zinc/59/19/30/825591930.db2.gz BUJCKOKHXWPBNJ-QWRGUYRKSA-N -1 0 320.353 -0.786 20 0 DBADRM O=C(Cc1ccoc1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090213251 825598301 /nfs/dbraw/zinc/59/83/01/825598301.db2.gz IITUHLPNTNECNZ-GHMZBOCLSA-N -1 0 321.337 -0.603 20 0 DBADRM Cc1cc[nH]c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090237553 825605159 /nfs/dbraw/zinc/60/51/59/825605159.db2.gz PDYXSFYMFWEEGS-NXEZZACHSA-N -1 0 320.353 -0.488 20 0 DBADRM Cc1cc[nH]c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090237554 825605353 /nfs/dbraw/zinc/60/53/53/825605353.db2.gz PDYXSFYMFWEEGS-UWVGGRQHSA-N -1 0 320.353 -0.488 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc[nH]c1 ZINC001090290135 825621998 /nfs/dbraw/zinc/62/19/98/825621998.db2.gz QVOUFZVSBAVSJJ-ZJUUUORDSA-N -1 0 306.326 -0.796 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cc[nH]c1 ZINC001090290134 825622794 /nfs/dbraw/zinc/62/27/94/825622794.db2.gz QVOUFZVSBAVSJJ-VHSXEESVSA-N -1 0 306.326 -0.796 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1(C2CC2)CC1 ZINC001090347098 825644714 /nfs/dbraw/zinc/64/47/14/825644714.db2.gz MDIUOGCIOSWNKC-GHMZBOCLSA-N -1 0 321.381 -0.248 20 0 DBADRM O=C(N[C@H]1CCN(CCF)C[C@H]1O)c1c[n-]n2c1nccc2=O ZINC001090631903 825769808 /nfs/dbraw/zinc/76/98/08/825769808.db2.gz XUXAQCGJJGVYRN-WDEREUQCSA-N -1 0 323.328 -0.843 20 0 DBADRM Cc1conc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090707768 825809481 /nfs/dbraw/zinc/80/94/81/825809481.db2.gz AKVNDOHDVOSOQJ-DTWKUNHWSA-N -1 0 322.325 -0.828 20 0 DBADRM O=C(Cc1ccc[nH]1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090823433 825859872 /nfs/dbraw/zinc/85/98/72/825859872.db2.gz JPVJLSUCMGQWQU-QWRGUYRKSA-N -1 0 320.353 -0.868 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1C[C@H](Nc2ncccn2)C1 ZINC001091469421 825962450 /nfs/dbraw/zinc/96/24/50/825962450.db2.gz BQPYRJKYZGAJOS-KYZUINATSA-N -1 0 319.325 -0.514 20 0 DBADRM COC(=O)c1nccc(NCCNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001093585664 826146281 /nfs/dbraw/zinc/14/62/81/826146281.db2.gz ROTMAVJQKFXZFI-UHFFFAOYSA-N -1 0 320.309 -0.736 20 0 DBADRM COC(=O)c1cnc(NCCNC(=O)c2[nH]nc(C)c2[O-])nc1 ZINC001093585627 826146330 /nfs/dbraw/zinc/14/63/30/826146330.db2.gz QFBFLCKFEAXCMZ-UHFFFAOYSA-N -1 0 320.309 -0.158 20 0 DBADRM CCc1nsc(NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001093779805 826168721 /nfs/dbraw/zinc/16/87/21/826168721.db2.gz XAQNNKFTYDIEMZ-UHFFFAOYSA-N -1 0 313.343 -0.669 20 0 DBADRM CCc1nc(C)cc(NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001094253340 826210903 /nfs/dbraw/zinc/21/09/03/826210903.db2.gz LWNZNHIFJIEUPT-UHFFFAOYSA-N -1 0 319.325 -0.214 20 0 DBADRM Cc1cc(C)nc(NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001094253538 826211011 /nfs/dbraw/zinc/21/10/11/826211011.db2.gz SAKAHAURRBVXMG-UHFFFAOYSA-N -1 0 305.298 -0.468 20 0 DBADRM Cc1ncc(C)c(NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001094253361 826211370 /nfs/dbraw/zinc/21/13/70/826211370.db2.gz MSXWMLCUDHQOID-UHFFFAOYSA-N -1 0 305.298 -0.468 20 0 DBADRM Cc1nc(C)c(F)c(NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001094253428 826211372 /nfs/dbraw/zinc/21/13/72/826211372.db2.gz OSDABFBMUCEWLI-UHFFFAOYSA-N -1 0 323.288 -0.329 20 0 DBADRM O=C(NCCNc1ncnc2c1CCC2)c1n[nH]c(=O)[n-]c1=O ZINC001094253288 826211374 /nfs/dbraw/zinc/21/13/74/826211374.db2.gz IXBRPUDDHFENLF-UHFFFAOYSA-N -1 0 317.309 -0.597 20 0 DBADRM CCN1C[C@H](C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)CC1=O ZINC001274076859 833026514 /nfs/dbraw/zinc/02/65/14/833026514.db2.gz WPVMXNMFIZYYAF-UMBAGQNISA-N -1 0 322.369 -0.859 20 0 DBADRM O=C(NCCCNc1cc(F)ncn1)c1n[nH]c(=O)[n-]c1=O ZINC001094888275 826298202 /nfs/dbraw/zinc/29/82/02/826298202.db2.gz KXTOCDIKIQMAIO-UHFFFAOYSA-N -1 0 309.261 -0.556 20 0 DBADRM O=C(NCCCNc1ncc(F)cn1)c1n[nH]c(=O)[n-]c1=O ZINC001094888683 826298346 /nfs/dbraw/zinc/29/83/46/826298346.db2.gz SVWFDAUBBWQGCO-UHFFFAOYSA-N -1 0 309.261 -0.556 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)Nc2ccc3nnnn3n2)c1[O-] ZINC001097805249 826435055 /nfs/dbraw/zinc/43/50/55/826435055.db2.gz SSDKYHHQHUEBPE-ZCFIWIBFSA-N -1 0 317.313 -0.513 20 0 DBADRM Cc1cc(N[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001097976643 826443274 /nfs/dbraw/zinc/44/32/74/826443274.db2.gz NHCZCPLZGTULTI-QMMMGPOBSA-N -1 0 307.314 -0.595 20 0 DBADRM Cc1nsc(N[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001097976547 826443471 /nfs/dbraw/zinc/44/34/71/826443471.db2.gz LFCTVWAZWVALJJ-YFKPBYRVSA-N -1 0 313.343 -0.534 20 0 DBADRM Cc1ccnc(N[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001097976370 826443476 /nfs/dbraw/zinc/44/34/76/826443476.db2.gz GAOWAMAVXBQSTA-MRVPVSSYSA-N -1 0 307.314 -0.595 20 0 DBADRM Cn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)n1 ZINC001098032778 826446676 /nfs/dbraw/zinc/44/66/76/826446676.db2.gz MWVYYUBSNNTCGM-MRTMQBJTSA-N -1 0 318.341 -0.826 20 0 DBADRM Cc1ccc(N[C@@H](C)CNC(=O)c2cnc([O-])n(C)c2=O)nn1 ZINC001098178455 826452961 /nfs/dbraw/zinc/45/29/61/826452961.db2.gz MBISIEJIBDZZOO-VIFPVBQESA-N -1 0 318.337 -0.185 20 0 DBADRM C[C@@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)Nc1ncccn1 ZINC001098400314 826477610 /nfs/dbraw/zinc/47/76/10/826477610.db2.gz VBNWLBYXINQWBP-QMMMGPOBSA-N -1 0 319.325 -0.378 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1cnc(F)cn1 ZINC001098436276 826482650 /nfs/dbraw/zinc/48/26/50/826482650.db2.gz ZKVDTEBARMIFTO-RXMQYKEDSA-N -1 0 309.261 -0.558 20 0 DBADRM Cc1cc(N[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001098434981 826482761 /nfs/dbraw/zinc/48/27/61/826482761.db2.gz CISFKKZBZCIOLY-SSDOTTSWSA-N -1 0 305.298 -0.388 20 0 DBADRM Cc1noc([C@@H](C)NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001161868611 833060805 /nfs/dbraw/zinc/06/08/05/833060805.db2.gz GLPMCLNSDZQGDC-ZCFIWIBFSA-N -1 0 323.313 -0.555 20 0 DBADRM O=C(N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2)c1nnc[nH]1 ZINC001099083211 826548602 /nfs/dbraw/zinc/54/86/02/826548602.db2.gz CGBLKHUWNNHLNY-SDBXPKJASA-N -1 0 318.341 -0.587 20 0 DBADRM Cc1cc(N[C@H](C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001099361195 826565114 /nfs/dbraw/zinc/56/51/14/826565114.db2.gz DEQWOHFWINRQLV-MRVPVSSYSA-N -1 0 321.341 -0.205 20 0 DBADRM C[C@@H](CCNC(=O)c1cnc([O-])n(C)c1=O)Nc1ncccn1 ZINC001099629166 826591532 /nfs/dbraw/zinc/59/15/32/826591532.db2.gz WLLAKMICOCAUCD-VIFPVBQESA-N -1 0 318.337 -0.104 20 0 DBADRM CC/C=C(\C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099720479 826633575 /nfs/dbraw/zinc/63/35/75/826633575.db2.gz FHSNPZKSPWSNMA-BDMRALOESA-N -1 0 309.370 -0.082 20 0 DBADRM O=C(/C=C\C1CC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099768550 826660547 /nfs/dbraw/zinc/66/05/47/826660547.db2.gz FMFLPZXFUYTUHV-ANDSXOESSA-N -1 0 307.354 -0.472 20 0 DBADRM CC(C)=C(F)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099780924 826663427 /nfs/dbraw/zinc/66/34/27/826663427.db2.gz ONUQAFRVUCVVPP-IUCAKERBSA-N -1 0 313.333 -0.175 20 0 DBADRM CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N2C(=O)c1c[nH]c(=O)c(=O)[n-]1 ZINC001274501801 833087345 /nfs/dbraw/zinc/08/73/45/833087345.db2.gz IJRUWSLXGZWFQN-DTORHVGOSA-N -1 0 321.337 -0.920 20 0 DBADRM CC1(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CC1 ZINC001099927330 826731950 /nfs/dbraw/zinc/73/19/50/826731950.db2.gz AGJKGAADPNWCMY-NXEZZACHSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(CCC(F)F)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099924569 826732015 /nfs/dbraw/zinc/73/20/15/826732015.db2.gz WUABAJIQSKFTQH-JGVFFNPUSA-N -1 0 319.312 -0.393 20 0 DBADRM CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099983564 826757866 /nfs/dbraw/zinc/75/78/66/826757866.db2.gz MWJWXVURMAKWMC-NXEZZACHSA-N -1 0 311.386 -0.002 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1(CF)CC1 ZINC001100005441 826768715 /nfs/dbraw/zinc/76/87/15/826768715.db2.gz BOFCFEXNPCFYAZ-IUCAKERBSA-N -1 0 313.333 -0.689 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)c2ncnc3nc[nH]c32)c1[O-] ZINC001100014291 826772642 /nfs/dbraw/zinc/77/26/42/826772642.db2.gz GFGPHLUCZCTGTD-UHFFFAOYSA-N -1 0 316.325 -0.044 20 0 DBADRM O=C([O-])Cc1nccnc1NCCN1CCCS1(=O)=O ZINC001162782732 833119313 /nfs/dbraw/zinc/11/93/13/833119313.db2.gz XLVMCCXNDVUFFS-UHFFFAOYSA-N -1 0 300.340 -0.449 20 0 DBADRM CN(CCNC(=O)c1cnc([O-])n(C)c1=O)c1ncccn1 ZINC001100263482 826921840 /nfs/dbraw/zinc/92/18/40/826921840.db2.gz RFPDBHBGAKQGAJ-UHFFFAOYSA-N -1 0 304.310 -0.858 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1cc(F)ncn1 ZINC001100416225 826960956 /nfs/dbraw/zinc/96/09/56/826960956.db2.gz SGCUZYCOVHBPHJ-UHFFFAOYSA-N -1 0 309.261 -0.922 20 0 DBADRM Cc1cc(N(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001100416015 826961463 /nfs/dbraw/zinc/96/14/63/826961463.db2.gz MNVABTLRBJBIFG-UHFFFAOYSA-N -1 0 305.298 -0.753 20 0 DBADRM COCCOCN1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)[n-]3)[C@@H]2C1 ZINC001274804853 833128303 /nfs/dbraw/zinc/12/83/03/833128303.db2.gz HKHRPIFSAAFPIQ-WCQYABFASA-N -1 0 324.381 -0.108 20 0 DBADRM COCCOCN1CC2(C1)CN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001274804898 833128749 /nfs/dbraw/zinc/12/87/49/833128749.db2.gz IHLXBMDPPIBDBJ-UHFFFAOYSA-N -1 0 310.354 -0.496 20 0 DBADRM CN(CCNc1nccnc1F)C(=O)c1cnc([O-])n(C)c1=O ZINC001101886866 827159128 /nfs/dbraw/zinc/15/91/28/827159128.db2.gz GXAFVKUSHPESSV-UHFFFAOYSA-N -1 0 322.300 -0.401 20 0 DBADRM NS(=O)(=O)c1ccc(N[C@@H]2SC(=O)[N-]C2=O)nc1F ZINC001163666990 833162417 /nfs/dbraw/zinc/16/24/17/833162417.db2.gz PRRDTFGKSSXHQF-SSDOTTSWSA-N -1 0 306.300 -0.411 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1nccnc1F ZINC001103373757 827281768 /nfs/dbraw/zinc/28/17/68/827281768.db2.gz FCLNLAGFTNCJAA-ZCFIWIBFSA-N -1 0 323.288 -0.168 20 0 DBADRM CN1C[C@]2(CC1=O)COCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001275465241 833181732 /nfs/dbraw/zinc/18/17/32/833181732.db2.gz OBUAOSDNSHFFFQ-LBPRGKRZSA-N -1 0 314.367 -0.721 20 0 DBADRM C[C@H](CNc1ncccn1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001104644406 827364166 /nfs/dbraw/zinc/36/41/66/827364166.db2.gz PLOCNACDMNVUEG-MRVPVSSYSA-N -1 0 307.314 -0.562 20 0 DBADRM C[C@@H](CNc1ncc(F)cn1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001104882056 827376756 /nfs/dbraw/zinc/37/67/56/827376756.db2.gz ZRRCUFZVWONJGS-LURJTMIESA-N -1 0 323.288 -0.216 20 0 DBADRM Cc1nccc(NC[C@H](C)N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001104881956 827377603 /nfs/dbraw/zinc/37/76/03/827377603.db2.gz XJARSXLQMAQTOY-ZETCQYMHSA-N -1 0 319.325 -0.046 20 0 DBADRM Cn1[n-]c(C(=O)N2CC3(C[C@H]3C(=O)Nc3cn[nH]c3)C2)cc1=O ZINC001275610818 833194656 /nfs/dbraw/zinc/19/46/56/833194656.db2.gz ZMIWEIVVIPFMCA-VIFPVBQESA-N -1 0 316.321 -0.050 20 0 DBADRM CS(=O)(=O)c1cnc(NCC[N-]C(=O)C(F)(F)F)nc1 ZINC001164244713 833197671 /nfs/dbraw/zinc/19/76/71/833197671.db2.gz LJVIAYBYUQNTRN-UHFFFAOYSA-N -1 0 312.273 -0.030 20 0 DBADRM CN(CCN(C)c1ncccn1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001105437001 827448581 /nfs/dbraw/zinc/44/85/81/827448581.db2.gz UBFOZZQWGXSNOR-UHFFFAOYSA-N -1 0 307.314 -0.926 20 0 DBADRM CN(CCN(C)c1ncc(F)cn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001105612725 827459691 /nfs/dbraw/zinc/45/96/91/827459691.db2.gz NEHVGTGTIUHEJY-UHFFFAOYSA-N -1 0 323.288 -0.580 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNc2cc(C)ncn2)c1[O-] ZINC001105819669 827521555 /nfs/dbraw/zinc/52/15/55/827521555.db2.gz IECOQPVZRCOEHC-VIFPVBQESA-N -1 0 306.326 -0.275 20 0 DBADRM CN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)c1c[nH]c(=O)c(=O)[n-]1 ZINC001275820416 833212480 /nfs/dbraw/zinc/21/24/80/833212480.db2.gz HVFGYAOLDVBYPW-YKDSUIRESA-N -1 0 320.349 -0.704 20 0 DBADRM C[C@@H](CNC(=O)C(N)=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001275922047 833222733 /nfs/dbraw/zinc/22/27/33/833222733.db2.gz XXRBQUNXEDWNEC-ZETCQYMHSA-N -1 0 323.378 -0.181 20 0 DBADRM O=C1CN(C2CN(c3nc[n-]c4nc(=S)sc3-4)C2)CCN1 ZINC001165114941 833228168 /nfs/dbraw/zinc/22/81/68/833228168.db2.gz ROABYSMNDBQALW-UHFFFAOYSA-N -1 0 322.419 -0.005 20 0 DBADRM Cc1ccnc(NCC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001106395306 827654178 /nfs/dbraw/zinc/65/41/78/827654178.db2.gz JUTGQJFKMJHFNX-MRVPVSSYSA-N -1 0 321.341 -0.205 20 0 DBADRM C[C@@H](CCNc1ncccn1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001106512135 827659401 /nfs/dbraw/zinc/65/94/01/827659401.db2.gz DSAMPFZNJDQJPZ-VIFPVBQESA-N -1 0 318.337 -0.104 20 0 DBADRM C[C@H]1c2ncc(CC(N)=O)n2CCN1C(=O)c1cc(=O)[nH][n-]1 ZINC001276019383 833235559 /nfs/dbraw/zinc/23/55/59/833235559.db2.gz ONOVFJXPFZDLNL-ZETCQYMHSA-N -1 0 304.310 -0.443 20 0 DBADRM O=C(NCC(F)F)[C@H]1CC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276019087 833235969 /nfs/dbraw/zinc/23/59/69/833235969.db2.gz KGNPPXHTTSGRTC-ZCFIWIBFSA-N -1 0 300.265 -0.041 20 0 DBADRM COCCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276024613 833236553 /nfs/dbraw/zinc/23/65/53/833236553.db2.gz BEJLJQNACZIECD-YMTOWFKASA-N -1 0 308.338 -0.318 20 0 DBADRM CN(C)C(=O)[C@@H]1CCn2nccc2CN1C(=O)c1cc(=O)[nH][n-]1 ZINC001276024636 833236570 /nfs/dbraw/zinc/23/65/70/833236570.db2.gz CEETXHXCWQARDW-NSHDSACASA-N -1 0 318.337 -0.185 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC=CCNc1nccnc1F ZINC001107281396 827737354 /nfs/dbraw/zinc/73/73/54/827737354.db2.gz LOXBMFODFSJMAJ-UPHRSURJSA-N -1 0 323.288 -0.597 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC/C=C\CNc1cc(F)ncn1 ZINC001107287462 827738662 /nfs/dbraw/zinc/73/86/62/827738662.db2.gz XKILUVZNFNFVSU-UPHRSURJSA-N -1 0 323.288 -0.597 20 0 DBADRM O=C(NCC=CCNc1nccnc1F)c1n[nH]c(=O)[n-]c1=O ZINC001107604997 827756499 /nfs/dbraw/zinc/75/64/99/827756499.db2.gz QYDILTOGFNYXQW-UPHRSURJSA-N -1 0 321.272 -0.390 20 0 DBADRM Cc1nsc(NCC=CCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001107604980 827756824 /nfs/dbraw/zinc/75/68/24/827756824.db2.gz QEVMSBYHWUEEEK-IHWYPQMZSA-N -1 0 323.338 -0.159 20 0 DBADRM CC(F)(F)C(=O)NC[C@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107685059 827768190 /nfs/dbraw/zinc/76/81/90/827768190.db2.gz DTUFBTCUKBPBDA-LLVKDONJSA-N -1 0 319.312 -0.127 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107779674 827793399 /nfs/dbraw/zinc/79/33/99/827793399.db2.gz QEXYPQLVMVEBNE-ZANVPECISA-N -1 0 313.358 -0.748 20 0 DBADRM C[C@H](CNc1nccnc1F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001107876636 827820350 /nfs/dbraw/zinc/82/03/50/827820350.db2.gz LJPQDTQEUFMEMV-ZCFIWIBFSA-N -1 0 311.277 -0.765 20 0 DBADRM Cc1nccc(NC[C@@H](C)NC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001108053080 827882588 /nfs/dbraw/zinc/88/25/88/827882588.db2.gz UHRNPEPKKYKCJR-MRVPVSSYSA-N -1 0 318.337 -0.185 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNc2ccc3nnnn3n2)c1[O-] ZINC001108311855 827943976 /nfs/dbraw/zinc/94/39/76/827943976.db2.gz RMCIEYGTRGJVAA-LURJTMIESA-N -1 0 317.313 -0.513 20 0 DBADRM Cc1ccnc(NC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001108466204 827980072 /nfs/dbraw/zinc/98/00/72/827980072.db2.gz RRONXQMESWXRLE-QMMMGPOBSA-N -1 0 307.314 -0.595 20 0 DBADRM C[C@@H](CNc1cnc(F)cn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001108465953 827980520 /nfs/dbraw/zinc/98/05/20/827980520.db2.gz FCHDARIEXTXOCX-LURJTMIESA-N -1 0 311.277 -0.765 20 0 DBADRM C[C@@H](CNc1cnc(F)cn1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001108633847 828032417 /nfs/dbraw/zinc/03/24/17/828032417.db2.gz BHUAPRFVSSCNJU-ZETCQYMHSA-N -1 0 322.300 -0.355 20 0 DBADRM Cc1nsc(NC[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001108782018 828047039 /nfs/dbraw/zinc/04/70/39/828047039.db2.gz KOPDKKPBNXHPFK-BYPYZUCNSA-N -1 0 311.327 -0.327 20 0 DBADRM C[C@@H](CNc1ncccn1)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001108783555 828047524 /nfs/dbraw/zinc/04/75/24/828047524.db2.gz VRFLJZRHVVINLT-QMMMGPOBSA-N -1 0 319.325 -0.378 20 0 DBADRM Cc1nccc(N(C)C[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001109043769 828081624 /nfs/dbraw/zinc/08/16/24/828081624.db2.gz GIVMGIRDFLLWCY-MRVPVSSYSA-N -1 0 321.341 -0.571 20 0 DBADRM CN(CCCNc1cnc(F)cn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001109665458 828128970 /nfs/dbraw/zinc/12/89/70/828128970.db2.gz AAEYOVSHOOVOKI-UHFFFAOYSA-N -1 0 323.288 -0.214 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H](CNc1ncccn1)C1CC1 ZINC001109882413 828140667 /nfs/dbraw/zinc/14/06/67/828140667.db2.gz ZMRIGYICDICRKI-VIFPVBQESA-N -1 0 319.325 -0.514 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2cn(-c3cccnc3)nn2)C(=O)N1C ZINC001167404913 833297581 /nfs/dbraw/zinc/29/75/81/833297581.db2.gz JYXTUBILTBNWMX-MRVPVSSYSA-N -1 0 315.293 -0.410 20 0 DBADRM CSCC[C@H](NC(=O)[C@@H]1CCCN(C)C1=O)c1nnn[n-]1 ZINC001167448395 833299094 /nfs/dbraw/zinc/29/90/94/833299094.db2.gz HIIYJDOIZTZJLV-IUCAKERBSA-N -1 0 312.399 -0.022 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(Nc2cc(F)ncn2)CC1 ZINC001110195451 828157049 /nfs/dbraw/zinc/15/70/49/828157049.db2.gz JAKSYHGCSGFIDG-UHFFFAOYSA-N -1 0 323.288 -0.621 20 0 DBADRM O=C(NCC1(Nc2cc(F)ncn2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001110406331 828176954 /nfs/dbraw/zinc/17/69/54/828176954.db2.gz HDUUQXUHQSVWOL-UHFFFAOYSA-N -1 0 321.272 -0.414 20 0 DBADRM Cc1nccc(NC2(CNC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)n1 ZINC001110406560 828177066 /nfs/dbraw/zinc/17/70/66/828177066.db2.gz TYEWQYONQRWWEX-UHFFFAOYSA-N -1 0 317.309 -0.244 20 0 DBADRM COC(=O)[C@@H]1CCCN(c2ccc(N[C@@H]3CO[N-]C3=O)nn2)C1 ZINC001167510823 833301923 /nfs/dbraw/zinc/30/19/23/833301923.db2.gz BBHMQKZENVOGGZ-NXEZZACHSA-N -1 0 321.337 -0.292 20 0 DBADRM COc1cc(C)c(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nn1 ZINC001167857594 833311588 /nfs/dbraw/zinc/31/15/88/833311588.db2.gz FCKIGAWRLTUHOZ-XPUUQOCRSA-N -1 0 302.312 -0.392 20 0 DBADRM C[C@H]1[C@H](Nc2c[nH]c3cc(=O)[nH]c-3c2)C(=O)N1S(=O)(=O)[O-] ZINC001167858466 833311669 /nfs/dbraw/zinc/31/16/69/833311669.db2.gz JMWQQNHYODWVTE-RRAGMBSWSA-N -1 0 312.307 -0.610 20 0 DBADRM C[C@H]1[C@H](Nc2ccc([S@@](C)=O)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001167861279 833311900 /nfs/dbraw/zinc/31/19/00/833311900.db2.gz IWRCTDMRKLLYPS-AACKTTSOSA-N -1 0 319.364 -0.367 20 0 DBADRM C[C@H]1[C@H](Nc2nncc3cnccc32)C(=O)N1S(=O)(=O)[O-] ZINC001167858820 833311957 /nfs/dbraw/zinc/31/19/57/833311957.db2.gz SAOQXLAHCXWVAB-RCOVLWMOSA-N -1 0 309.307 -0.161 20 0 DBADRM C[C@H]1[C@H](Nc2cnc3ncccc3n2)C(=O)N1S(=O)(=O)[O-] ZINC001167859407 833311980 /nfs/dbraw/zinc/31/19/80/833311980.db2.gz XIXFIEJYKITBJG-RCOVLWMOSA-N -1 0 309.307 -0.161 20 0 DBADRM C[C@H]1[C@H](Nc2c[nH]c3coc(=O)c-3c2)C(=O)N1S(=O)(=O)[O-] ZINC001167865544 833312242 /nfs/dbraw/zinc/31/22/42/833312242.db2.gz WZCVYZFLNQEPCX-CDUCUWFYSA-N -1 0 313.291 -0.434 20 0 DBADRM C[C@H]1[C@H](Nc2c[nH]c3c[nH]c(=O)c-3c2)C(=O)N1S(=O)(=O)[O-] ZINC001167862538 833312438 /nfs/dbraw/zinc/31/24/38/833312438.db2.gz YDDDMAVUTXCSPG-CDUCUWFYSA-N -1 0 312.307 -0.861 20 0 DBADRM COc1nc(NC(=N)SCCS(=O)(=O)[O-])nc(OC)n1 ZINC001168089537 833317921 /nfs/dbraw/zinc/31/79/21/833317921.db2.gz UOZFEPBSVZTIQK-UHFFFAOYSA-N -1 0 323.356 -0.722 20 0 DBADRM [NH3+]C1CCN(c2nccc(NCCOP(=O)([O-])[O-])n2)CC1 ZINC001168586402 833325665 /nfs/dbraw/zinc/32/56/65/833325665.db2.gz JPOSYNJRBMAPGQ-UHFFFAOYSA-N -1 0 317.286 -0.075 20 0 DBADRM O=P([O-])([O-])OCCNc1ccnc(N2CC[NH2+]CC2)n1 ZINC001168587813 833325684 /nfs/dbraw/zinc/32/56/84/833325684.db2.gz WPWHVXBMJUHGJH-UHFFFAOYSA-N -1 0 303.259 -0.593 20 0 DBADRM Cc1cccc(CO[N-]C(=O)[C@H](C)NC(=O)Cn2cnnn2)n1 ZINC001168642836 833326408 /nfs/dbraw/zinc/32/64/08/833326408.db2.gz NZULCAHLCJJBHV-JTQLQIEISA-N -1 0 319.325 -0.871 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)c2cn3cccnc3n2)n[n-]1 ZINC001115940271 828869188 /nfs/dbraw/zinc/86/91/88/828869188.db2.gz DIQHHIFVWDESKO-UHFFFAOYSA-N -1 0 307.295 -0.497 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCCCn1ccnc1 ZINC001116052098 828873252 /nfs/dbraw/zinc/87/32/52/828873252.db2.gz SIPMRDJFOAZENL-UHFFFAOYSA-N -1 0 315.337 -0.136 20 0 DBADRM Cn1ncc2cc(C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)cnc21 ZINC001116185953 828880023 /nfs/dbraw/zinc/88/00/23/828880023.db2.gz FPFUQEFWZFPFOT-SNVBAGLBSA-N -1 0 314.309 -0.305 20 0 DBADRM CCC[C@H](NC(=O)Cc1nc2ncccn2n1)c1nnn[n-]1 ZINC001116255789 828885156 /nfs/dbraw/zinc/88/51/56/828885156.db2.gz LEZZJJPDVDPCCE-QMMMGPOBSA-N -1 0 301.314 -0.163 20 0 DBADRM O=C(CCn1nnc2ccccc2c1=O)NCc1nc(=O)o[n-]1 ZINC001116367937 828890432 /nfs/dbraw/zinc/89/04/32/828890432.db2.gz XKVMCJUWSQURHL-UHFFFAOYSA-N -1 0 316.277 -0.826 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)C2CCOCC2)CC1 ZINC001116465891 828895856 /nfs/dbraw/zinc/89/58/56/828895856.db2.gz MLXQFZLKJKUBMK-UHFFFAOYSA-N -1 0 305.352 -0.045 20 0 DBADRM CN(C)c1ccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001116509481 828899078 /nfs/dbraw/zinc/89/90/78/828899078.db2.gz UEGUXZHWFJNOQX-UHFFFAOYSA-N -1 0 304.310 -0.169 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001116633186 828904467 /nfs/dbraw/zinc/90/44/67/828904467.db2.gz RLENBMBUARIQOP-SNVBAGLBSA-N -1 0 321.399 -0.350 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)[N-]OCC(N)=O)c(C)c1 ZINC001116716865 828909292 /nfs/dbraw/zinc/90/92/92/828909292.db2.gz BNBMGTZKXUKEAX-UHFFFAOYSA-N -1 0 309.278 -0.747 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccnc1OCC(F)F ZINC001116717130 828909306 /nfs/dbraw/zinc/90/93/06/828909306.db2.gz MXMUVZQQDWQGNH-UHFFFAOYSA-N -1 0 318.236 -0.803 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001117017493 828931525 /nfs/dbraw/zinc/93/15/25/828931525.db2.gz QVACCQCDQPGDKL-LLVKDONJSA-N -1 0 315.370 -0.950 20 0 DBADRM Cc1cc(=O)n(-c2ccc(NC[C@@H]3CNC(=O)CO3)nn2)[n-]1 ZINC001169274273 833337040 /nfs/dbraw/zinc/33/70/40/833337040.db2.gz JUWGBPDPLJIARE-SECBINFHSA-N -1 0 304.310 -0.484 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NC[C@@H](C)CN1CCOCC1 ZINC001117145777 828947717 /nfs/dbraw/zinc/94/77/17/828947717.db2.gz IZTBHZNCXGBDMV-GFCCVEGCSA-N -1 0 301.387 -0.225 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001117149364 828948515 /nfs/dbraw/zinc/94/85/15/828948515.db2.gz RFGFTXXAGBJYMZ-JTQLQIEISA-N -1 0 321.399 -0.770 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC001117309927 828958741 /nfs/dbraw/zinc/95/87/41/828958741.db2.gz YXMARCONODLZMV-RYUDHWBXSA-N -1 0 301.387 -0.084 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCC1CCN(C(C)=O)CC1 ZINC001117306845 828959102 /nfs/dbraw/zinc/95/91/02/828959102.db2.gz WFCGFWFRABHHFC-UHFFFAOYSA-N -1 0 315.370 -0.555 20 0 DBADRM CCN(CC)C(=O)C[C@H](C)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001169437504 833340373 /nfs/dbraw/zinc/34/03/73/833340373.db2.gz ONFVWMHEZZZOAU-QXEWZRGKSA-N -1 0 321.399 -0.375 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001117573017 828993570 /nfs/dbraw/zinc/99/35/70/828993570.db2.gz AVVZALWRQYSAPZ-GHMZBOCLSA-N -1 0 313.354 -0.756 20 0 DBADRM Cn1c(=O)cc(Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)[nH]c1=O ZINC001170005017 833347690 /nfs/dbraw/zinc/34/76/90/833347690.db2.gz QMTJKNWTRWOCFY-UHFFFAOYSA-N -1 0 322.302 -0.338 20 0 DBADRM CCCO[N-]C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC001118140610 829039244 /nfs/dbraw/zinc/03/92/44/829039244.db2.gz SJHHQBVKCWIHEW-UHFFFAOYSA-N -1 0 301.324 -0.270 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)C(=O)[N-]OCc2ccccc2)C1=O ZINC001118179878 829045270 /nfs/dbraw/zinc/04/52/70/829045270.db2.gz HSJVTIDWLNCEQS-NSHDSACASA-N -1 0 319.317 -0.502 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cc(C)nc(C)c1 ZINC001118298116 829064977 /nfs/dbraw/zinc/06/49/77/829064977.db2.gz YBSQKOOXRXUWKB-UHFFFAOYSA-N -1 0 308.338 -0.501 20 0 DBADRM CCN1C[C@H](CNC(=O)C(=O)[N-]OC2CCOCC2)CC1=O ZINC001118365181 829076257 /nfs/dbraw/zinc/07/62/57/829076257.db2.gz VLCKPLBRZGQATQ-JTQLQIEISA-N -1 0 313.354 -0.802 20 0 DBADRM CCN1C[C@@H](CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)CC1=O ZINC001118365252 829076297 /nfs/dbraw/zinc/07/62/97/829076297.db2.gz WMGOXIFRBPLKST-WDEREUQCSA-N -1 0 313.354 -0.945 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1c(F)ccnc1F ZINC001118379272 829077754 /nfs/dbraw/zinc/07/77/54/829077754.db2.gz MFJRIDLNHWZQAO-UHFFFAOYSA-N -1 0 307.278 -0.445 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1nnc2n1CCCC2)C(=O)[O-] ZINC001118390787 829079092 /nfs/dbraw/zinc/07/90/92/829079092.db2.gz XORQQGBMSBXVHC-MRVPVSSYSA-N -1 0 309.326 -0.933 20 0 DBADRM CNC(=O)CCCN(C)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001118480446 829089783 /nfs/dbraw/zinc/08/97/83/829089783.db2.gz CCIPTRWNDRMHKV-UHFFFAOYSA-N -1 0 322.321 -0.297 20 0 DBADRM CO[C@@H](C)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001118480404 829089960 /nfs/dbraw/zinc/08/99/60/829089960.db2.gz AVVYWCLKJKQXBN-QMMMGPOBSA-N -1 0 312.326 -0.208 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@H](CO)C2)CC1 ZINC001118506458 829095303 /nfs/dbraw/zinc/09/53/03/829095303.db2.gz OPNFTHCVMDYDPC-NSHDSACASA-N -1 0 312.366 -0.069 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCC1(S(=O)(=O)CC)CC1 ZINC001118678819 829120080 /nfs/dbraw/zinc/12/00/80/829120080.db2.gz RBOPPQSYMKOADX-UHFFFAOYSA-N -1 0 322.383 -0.846 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)NCCc1n[n-]c(=S)o1 ZINC001118694275 829122524 /nfs/dbraw/zinc/12/25/24/829122524.db2.gz RYABAGLMMPSMSV-ZCFIWIBFSA-N -1 0 308.385 -0.655 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC001118723257 829126847 /nfs/dbraw/zinc/12/68/47/829126847.db2.gz BHUXSLXBNQNVAS-MGCOHNPYSA-N -1 0 315.370 -0.367 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)[N-]OC1CCCC1 ZINC001118751977 829129436 /nfs/dbraw/zinc/12/94/36/829129436.db2.gz GUJWNUXYMXMIIS-UHFFFAOYSA-N -1 0 315.351 -0.154 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)CC[C@H]1C(=O)[O-] ZINC001118899866 829150568 /nfs/dbraw/zinc/15/05/68/829150568.db2.gz DZRTVRBRTPQROP-SIVJFFJCSA-N -1 0 324.377 -0.071 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001118921317 829153705 /nfs/dbraw/zinc/15/37/05/829153705.db2.gz PUAMZNFYSBVNII-GXSJLCMTSA-N -1 0 323.353 -0.517 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC[C@H]1CCCN1CC(F)F ZINC001118921284 829153931 /nfs/dbraw/zinc/15/39/31/829153931.db2.gz OXEGDNUGQNGNCB-MRVPVSSYSA-N -1 0 307.297 -0.577 20 0 DBADRM Cn1cc(C=O)cc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001119115123 829220768 /nfs/dbraw/zinc/22/07/68/829220768.db2.gz CTECIUDMXJQWJX-SNVBAGLBSA-N -1 0 314.319 -0.839 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1 ZINC001119537886 829273078 /nfs/dbraw/zinc/27/30/78/829273078.db2.gz STCMMJPAMDGATE-UVWXRNBGSA-N -1 0 323.393 -0.092 20 0 DBADRM O=C([O-])CSCCNC(=O)[C@H]1COCCN1CC(F)F ZINC001119577438 829277226 /nfs/dbraw/zinc/27/72/26/829277226.db2.gz IWFBCVKUBNBLEG-MRVPVSSYSA-N -1 0 312.338 -0.114 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCC[C@@H]1CC(=O)N(C)C1 ZINC001119826274 829310137 /nfs/dbraw/zinc/31/01/37/829310137.db2.gz JBJNVPXXBGXJRJ-SECBINFHSA-N -1 0 303.384 -0.618 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)O1 ZINC001119846662 829312765 /nfs/dbraw/zinc/31/27/65/829312765.db2.gz CTAHQYBALRQDIG-NSHDSACASA-N -1 0 316.354 -0.475 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@](C)(OC)CC1 ZINC001119924852 829323760 /nfs/dbraw/zinc/32/37/60/829323760.db2.gz FVULLIPEUDFTBR-CYBMUJFWSA-N -1 0 301.343 -0.802 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N(C)CCOc1ccccc1 ZINC001120188401 829340740 /nfs/dbraw/zinc/34/07/40/829340740.db2.gz HZWZQASOPVTLBX-UHFFFAOYSA-N -1 0 306.326 -0.134 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCO[C@@H](CCF)C1 ZINC001120206096 829341703 /nfs/dbraw/zinc/34/17/03/829341703.db2.gz HHZVVMOHUMBRIO-VIFPVBQESA-N -1 0 302.310 -0.694 20 0 DBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cscn1 ZINC001175942232 833398390 /nfs/dbraw/zinc/39/83/90/833398390.db2.gz VPVBBSKDHULKQD-UHFFFAOYSA-N -1 0 304.313 -0.846 20 0 DBADRM Cc1nccc(N[C@H](C)CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001120928109 829411523 /nfs/dbraw/zinc/41/15/23/829411523.db2.gz HMSBHQCCAPYTLS-SSDOTTSWSA-N -1 0 319.325 -0.046 20 0 DBADRM CO[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001121815909 829516793 /nfs/dbraw/zinc/51/67/93/829516793.db2.gz PEPCWLBRXSDDEO-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM COCC(C)(C)CCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001121837006 829518748 /nfs/dbraw/zinc/51/87/48/829518748.db2.gz ZZVXYJYDKRALPE-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM CC[C@H]1CN(C(=O)NCCOCCOCC(=O)[O-])CCO1 ZINC001121920375 829528258 /nfs/dbraw/zinc/52/82/58/829528258.db2.gz IDRCULDVBDKKFQ-NSHDSACASA-N -1 0 304.343 -0.075 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCc2ccnc(N(C)C)c2C1 ZINC001122122550 829549893 /nfs/dbraw/zinc/54/98/93/829549893.db2.gz BLYBRPAEQCGULR-UHFFFAOYSA-N -1 0 307.354 -0.107 20 0 DBADRM O=C(Cc1nnn[n-]1)N1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001176840700 833422992 /nfs/dbraw/zinc/42/29/92/833422992.db2.gz MOHAKCXFMOJOEV-RTCCRHLQSA-N -1 0 318.381 -0.105 20 0 DBADRM COc1cc(O[C@@H]2CCN(C(=O)Cc3nnn[n-]3)C2)ccn1 ZINC001176842290 833423210 /nfs/dbraw/zinc/42/32/10/833423210.db2.gz GBVVEWYKIXPLCV-SNVBAGLBSA-N -1 0 304.310 -0.174 20 0 DBADRM CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)Cc3nnn[n-]3)[C@@H]2C1 ZINC001176841119 833423241 /nfs/dbraw/zinc/42/32/41/833423241.db2.gz RNMKNCXBGFWGCH-HBNTYKKESA-N -1 0 322.369 -0.727 20 0 DBADRM CC(C)C(=O)N1CC[C@H]2CN(C(=O)Cc3nnn[n-]3)CC[C@@H]21 ZINC001176840785 833423343 /nfs/dbraw/zinc/42/33/43/833423343.db2.gz NKXPXFODHGHXSO-QWRGUYRKSA-N -1 0 306.370 -0.152 20 0 DBADRM CCn1nnc2c1[C@H](COC)CN(C(=O)Cc1nnn[n-]1)C2 ZINC001176840938 833423517 /nfs/dbraw/zinc/42/35/17/833423517.db2.gz YMMWRJIUAAVIBI-QMMMGPOBSA-N -1 0 306.330 -0.874 20 0 DBADRM Cc1cc(O[C@@H]2CCCN(C(=O)Cc3nnn[n-]3)C2)ncn1 ZINC001176842304 833423556 /nfs/dbraw/zinc/42/35/56/833423556.db2.gz GLGXREMPHSRTKH-SNVBAGLBSA-N -1 0 303.326 -0.089 20 0 DBADRM O=C(Cc1nnn[n-]1)N1C[C@@H]2C(=O)N(c3ccsc3)C[C@@H]2C1 ZINC001176840663 833423662 /nfs/dbraw/zinc/42/36/62/833423662.db2.gz MCCWTSTZEPUOGG-WPRPVWTQSA-N -1 0 318.362 -0.075 20 0 DBADRM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cc1nnn[n-]1 ZINC001176842480 833423734 /nfs/dbraw/zinc/42/37/34/833423734.db2.gz KCTGWBUPYMXWFE-LLVKDONJSA-N -1 0 301.306 -0.131 20 0 DBADRM CCOC(=O)[C@H](Cc1ccccn1)NC(=O)Cc1nnn[n-]1 ZINC001176846961 833424364 /nfs/dbraw/zinc/42/43/64/833424364.db2.gz CFTICXIVBMZNGX-JTQLQIEISA-N -1 0 304.310 -0.572 20 0 DBADRM O=C(Cc1nnn[n-]1)NCc1ccc(N2CCCNC2=O)cc1 ZINC001176846974 833424519 /nfs/dbraw/zinc/42/45/19/833424519.db2.gz COELRLQHWDBFAJ-UHFFFAOYSA-N -1 0 315.337 -0.022 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC001176869507 833428516 /nfs/dbraw/zinc/42/85/16/833428516.db2.gz OOCMVBWKJJCJHR-UHFFFAOYSA-N -1 0 317.305 -0.245 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C/c1nccs1 ZINC001123738328 829676375 /nfs/dbraw/zinc/67/63/75/829676375.db2.gz TXZZUKIRBAULDR-NSCUHMNNSA-N -1 0 303.365 -0.262 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNCc2nnnn2C(C)(C)C)c1[O-] ZINC001125728564 829875660 /nfs/dbraw/zinc/87/56/60/829875660.db2.gz JNQSUYDUCGTEMN-UHFFFAOYSA-N -1 0 322.373 -0.315 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNCc2nnnn2C2CC2)c1[O-] ZINC001125734435 829875987 /nfs/dbraw/zinc/87/59/87/829875987.db2.gz PQAFKKDWDTVYOD-UHFFFAOYSA-N -1 0 306.330 -0.735 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O ZINC001179623665 833553444 /nfs/dbraw/zinc/55/34/44/833553444.db2.gz RNUTXNGUKLTXNS-OAHLLOKOSA-N -1 0 321.333 -0.813 20 0 DBADRM CCOC(Cn1cc(C(=O)NCC(=O)[N-]OC)cn1)OCC ZINC001179623541 833553451 /nfs/dbraw/zinc/55/34/51/833553451.db2.gz PFKWXCUOGNAZMJ-UHFFFAOYSA-N -1 0 314.342 -0.310 20 0 DBADRM CC1(C)C(=O)NC[C@H]1NC(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180180303 833572499 /nfs/dbraw/zinc/57/24/99/833572499.db2.gz OEEUCVLODFRJLV-SCSAIBSYSA-N -1 0 300.208 -0.018 20 0 DBADRM C[C@H]1[C@H](NC(=O)C[C@H]2CCCCO2)C(=O)N1S(=O)(=O)[O-] ZINC001180413367 833585107 /nfs/dbraw/zinc/58/51/07/833585107.db2.gz HZZXHSINQWETKC-XKSSXDPKSA-N -1 0 306.340 -0.536 20 0 DBADRM Cc1cc(CNCCNC(=O)CCCn2c(=O)[n-][nH]c2=O)no1 ZINC001130556530 830341315 /nfs/dbraw/zinc/34/13/15/830341315.db2.gz LWUBCWOTGYHGNU-UHFFFAOYSA-N -1 0 324.341 -0.328 20 0 DBADRM Cc1nc(CNCCNC(=O)CCCn2c(=O)[n-][nH]c2=O)co1 ZINC001130556653 830341601 /nfs/dbraw/zinc/34/16/01/830341601.db2.gz QUFRXFLUZAMQPL-UHFFFAOYSA-N -1 0 324.341 -0.328 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCNCc1cscn1 ZINC001130757266 830376151 /nfs/dbraw/zinc/37/61/51/830376151.db2.gz ZCUUNIGZRMAXGV-UHFFFAOYSA-N -1 0 324.366 -0.422 20 0 DBADRM CC(C)n1ccc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001130864904 830401275 /nfs/dbraw/zinc/40/12/75/830401275.db2.gz KPQXQGXKIVYDGS-UHFFFAOYSA-N -1 0 321.341 -0.420 20 0 DBADRM Cc1nc([C@@H](C)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001130863118 830401340 /nfs/dbraw/zinc/40/13/40/830401340.db2.gz LBZMFTFPIUVMTP-RXMQYKEDSA-N -1 0 309.286 -0.945 20 0 DBADRM Cc1csc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001130863689 830401350 /nfs/dbraw/zinc/40/13/50/830401350.db2.gz SNTHGLIXLPKKOS-UHFFFAOYSA-N -1 0 310.339 -0.433 20 0 DBADRM CCn1ccc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001130864536 830401410 /nfs/dbraw/zinc/40/14/10/830401410.db2.gz BPITWTSKOBRMMY-UHFFFAOYSA-N -1 0 307.314 -0.981 20 0 DBADRM O=C(NCCNCc1nnc(C2CC2)o1)c1n[nH]c(=O)[n-]c1=O ZINC001130863553 830401418 /nfs/dbraw/zinc/40/14/18/830401418.db2.gz SGBZXBISNKKCHC-UHFFFAOYSA-N -1 0 321.297 -0.937 20 0 DBADRM C[C@@H](C(=O)N(C)c1nnn[n-]1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001131169865 830439287 /nfs/dbraw/zinc/43/92/87/830439287.db2.gz PGHNWPGMWATPIT-XHNCKOQMSA-N -1 0 306.326 -0.274 20 0 DBADRM CCn1ccnc1CNCCNC(=O)c1cnc([O-])n(C)c1=O ZINC001132242316 830612327 /nfs/dbraw/zinc/61/23/27/830612327.db2.gz MTLDDXUWEBCSFU-UHFFFAOYSA-N -1 0 320.353 -0.778 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)CC(=O)N(C)C)CN1Cc1n[nH]c(=O)[n-]1 ZINC001132352907 830635386 /nfs/dbraw/zinc/63/53/86/830635386.db2.gz BXYWSIHWXMHVGV-UWVGGRQHSA-N -1 0 324.385 -0.542 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cn(-c2ccccc2)nn1 ZINC001181716383 833641879 /nfs/dbraw/zinc/64/18/79/833641879.db2.gz LQFFEKAMLOCBGM-UHFFFAOYSA-N -1 0 301.266 -0.091 20 0 DBADRM CO[N-]C(=O)CNC(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC001134415364 830935231 /nfs/dbraw/zinc/93/52/31/830935231.db2.gz YYFIBJNJECYQBG-UHFFFAOYSA-N -1 0 304.306 -0.037 20 0 DBADRM Cc1nnc(CNCCNC(=O)c2c[n-]n3c2nccc3=O)o1 ZINC001134939191 830992656 /nfs/dbraw/zinc/99/26/56/830992656.db2.gz RNIPZZYTYLNQJX-UHFFFAOYSA-N -1 0 317.309 -0.766 20 0 DBADRM Cc1nonc1CNCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001134939411 830993520 /nfs/dbraw/zinc/99/35/20/830993520.db2.gz VWEBGUHRIWUSHB-UHFFFAOYSA-N -1 0 317.309 -0.766 20 0 DBADRM O=C(NCCNCc1cscn1)c1c[n-]n2c1nccc2=O ZINC001134941998 830993834 /nfs/dbraw/zinc/99/38/34/830993834.db2.gz VVMZSVDADJXTTP-UHFFFAOYSA-N -1 0 318.362 -0.001 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC1C(=O)N=CN=C1[O-] ZINC001182626601 833683703 /nfs/dbraw/zinc/68/37/03/833683703.db2.gz BOVHPKUGMCQFSG-LURJTMIESA-N -1 0 314.298 -0.288 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CSCN1C(C)=O ZINC001183139730 833707783 /nfs/dbraw/zinc/70/77/83/833707783.db2.gz UDYXRIGKUOHQQO-IUCAKERBSA-N -1 0 318.351 -0.570 20 0 DBADRM C[C@H]1[C@H](NC(=O)COC(F)(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001183209351 833710088 /nfs/dbraw/zinc/71/00/88/833710088.db2.gz QVGKPIPHFIQDLM-UCORVYFPSA-N -1 0 306.218 -0.959 20 0 DBADRM COC(=O)CCCCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001136217558 831160576 /nfs/dbraw/zinc/16/05/76/831160576.db2.gz FICZVEOVMYKRGT-UHFFFAOYSA-N -1 0 300.315 -0.071 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)cc1=O ZINC001136977393 831167140 /nfs/dbraw/zinc/16/71/40/831167140.db2.gz IRKCHMUSPZHBQR-CPFSXVBKSA-N -1 0 307.310 -0.766 20 0 DBADRM O=C(N[C@H]1CCC(=O)NC1=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001137664382 831170542 /nfs/dbraw/zinc/17/05/42/831170542.db2.gz YOVMFOLNMAVAQI-VIFPVBQESA-N -1 0 316.273 -0.435 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1ccc(Cn2ccnn2)cc1 ZINC001137741122 831171812 /nfs/dbraw/zinc/17/18/12/831171812.db2.gz WUKIWYXRJXJFSQ-UHFFFAOYSA-N -1 0 300.278 -0.067 20 0 DBADRM CN1C[C@@H](C(=O)[N-]OCCO)N(C(=O)OC(C)(C)C)CC1=O ZINC001138490105 831176488 /nfs/dbraw/zinc/17/64/88/831176488.db2.gz CSJHYULPOKTZFD-VIFPVBQESA-N -1 0 317.342 -0.896 20 0 DBADRM O=C(CN1CCCCC(=O)C1=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001138658727 831176737 /nfs/dbraw/zinc/17/67/37/831176737.db2.gz DATFCEBTUWOEBT-JTQLQIEISA-N -1 0 320.353 -0.513 20 0 DBADRM CN(CCOCCO)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001139127932 831179248 /nfs/dbraw/zinc/17/92/48/831179248.db2.gz GSVGQMMVSHMQTD-UHFFFAOYSA-N -1 0 306.326 -0.844 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1ccc2c(=O)cc[nH]c2c1 ZINC001139467286 831179868 /nfs/dbraw/zinc/17/98/68/831179868.db2.gz VIQWRWQXEYKOQA-UHFFFAOYSA-N -1 0 315.289 -0.153 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)NCCc1nc(=O)o[n-]1 ZINC001139477497 831180676 /nfs/dbraw/zinc/18/06/76/831180676.db2.gz QKCFMHAQFDMFKF-UHFFFAOYSA-N -1 0 315.293 -0.380 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCO[C@@H]1CCCCO1 ZINC001139939604 831183679 /nfs/dbraw/zinc/18/36/79/831183679.db2.gz ZGFOMCROXMOCJA-SNVBAGLBSA-N -1 0 300.315 -0.261 20 0 DBADRM CNC(=O)CN1CCO[C@H]2CN(Cc3ccc(C(=O)[O-])o3)C[C@H]21 ZINC001140945873 831188862 /nfs/dbraw/zinc/18/88/62/831188862.db2.gz KNLWTZTUBSEGBD-YPMHNXCESA-N -1 0 323.349 -0.391 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)[N-]OC(C)(C)CO)C1=O ZINC001141025069 831189022 /nfs/dbraw/zinc/18/90/22/831189022.db2.gz KBEKXAIXQKRSMC-VIFPVBQESA-N -1 0 302.327 -0.783 20 0 DBADRM CC(C)O[N-]C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001141476619 831192010 /nfs/dbraw/zinc/19/20/10/831192010.db2.gz ZSMBTPKFVARWPM-VIFPVBQESA-N -1 0 317.367 -0.392 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NOCC[NH+](C)C)cc2=O)n1 ZINC001142191378 831207421 /nfs/dbraw/zinc/20/74/21/831207421.db2.gz PWPLYDOHMYJGNL-UHFFFAOYSA-N -1 0 320.353 -0.205 20 0 DBADRM Cc1cn(CC(=O)n2[n-]c3ccnc(=O)c-3c2N)c(=O)[nH]c1=O ZINC001142322640 831210344 /nfs/dbraw/zinc/21/03/44/831210344.db2.gz ZFDDETRYKUOYIN-UHFFFAOYSA-N -1 0 316.277 -0.830 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)[C@H]1CC(=O)N(Cc2cccs2)C1 ZINC001142361151 831212026 /nfs/dbraw/zinc/21/20/26/831212026.db2.gz JHFWEZIGISFOSI-WCBMZHEXSA-N -1 0 309.347 -0.357 20 0 DBADRM CS(=O)(=O)CCC(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001142535967 831214832 /nfs/dbraw/zinc/21/48/32/831214832.db2.gz FNGOCLNUUWLNFY-UHFFFAOYSA-N -1 0 318.398 -0.907 20 0 DBADRM Cn1cc(C[C@H](CO)NC(=O)c2c[n-]n3c2nccc3=O)cn1 ZINC001142581325 831216010 /nfs/dbraw/zinc/21/60/10/831216010.db2.gz BZSROQBANDCHLC-SNVBAGLBSA-N -1 0 316.321 -0.911 20 0 DBADRM CCOCC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001142831863 831220637 /nfs/dbraw/zinc/22/06/37/831220637.db2.gz TYZRLSHQHOCUPW-JTQLQIEISA-N -1 0 312.326 -0.936 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)[C@H]1CCC(=O)N1 ZINC001143124503 831229020 /nfs/dbraw/zinc/22/90/20/831229020.db2.gz RRFSFVYWJRILRS-MRVPVSSYSA-N -1 0 309.303 -0.664 20 0 DBADRM O=C(CN1CCCC1=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001143247911 831232426 /nfs/dbraw/zinc/23/24/26/831232426.db2.gz NKKCOOXXEBACBJ-UHFFFAOYSA-N -1 0 323.330 -0.320 20 0 DBADRM CNS(=O)(=O)c1ccc(O)c(NC(=O)C(=O)N(C)C)c1 ZINC001143276719 831233414 /nfs/dbraw/zinc/23/34/14/831233414.db2.gz KTLXJDQOGLFHQD-UHFFFAOYSA-N -1 0 301.324 -0.673 20 0 DBADRM COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)C(=O)[O-] ZINC001143420027 831237088 /nfs/dbraw/zinc/23/70/88/831237088.db2.gz QGXZAQHESNGBFN-VIFPVBQESA-N -1 0 320.309 -0.880 20 0 DBADRM CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)C(=O)[O-])O1 ZINC001143420934 831237136 /nfs/dbraw/zinc/23/71/36/831237136.db2.gz ZXIIOUCJRUGCTB-GMTAPVOTSA-N -1 0 314.338 -0.676 20 0 DBADRM COC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(C(=O)C(=O)[O-])C1 ZINC001143415587 831237149 /nfs/dbraw/zinc/23/71/49/831237149.db2.gz NQDWJQFNYPBUGA-CYBMUJFWSA-N -1 0 316.310 -0.260 20 0 DBADRM CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)C(=O)[O-])C2)C1=O ZINC001143419305 831237193 /nfs/dbraw/zinc/23/71/93/831237193.db2.gz JYABBDAFGHTPGH-CQSZACIVSA-N -1 0 311.338 -1.000 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)[C@H]1C[C@@H]1F ZINC001143445570 831238073 /nfs/dbraw/zinc/23/80/73/831238073.db2.gz FIDOZIATYVSQSE-GUBZILKMSA-N -1 0 312.301 -0.614 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 ZINC001143674653 831241160 /nfs/dbraw/zinc/24/11/60/831241160.db2.gz FBFBXTIWDBOTSH-AAEUAGOBSA-N -1 0 317.349 -0.238 20 0 DBADRM CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CO[N-]C2=O)cc1 ZINC001143716379 831243086 /nfs/dbraw/zinc/24/30/86/831243086.db2.gz AMQKEKQPBJEWFW-LLVKDONJSA-N -1 0 312.347 -0.431 20 0 DBADRM O=C(NCS(=O)(=O)[O-])[C@H]1[C@@H](O)CCN1Cc1ccccc1 ZINC001143677790 831243482 /nfs/dbraw/zinc/24/34/82/831243482.db2.gz VDAQDDUQRHZXSC-NWDGAFQWSA-N -1 0 314.363 -0.417 20 0 DBADRM CCC(=O)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001143972172 831245417 /nfs/dbraw/zinc/24/54/17/831245417.db2.gz UOQCICNPZSXDRS-VIFPVBQESA-N -1 0 310.310 -0.993 20 0 DBADRM CSCCC(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001144045974 831245456 /nfs/dbraw/zinc/24/54/56/831245456.db2.gz ABZUHFNHKZFPAL-UHFFFAOYSA-N -1 0 323.356 -0.898 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)N=c1ccn(C)c([O-])n1)c2=O ZINC001144329827 831250655 /nfs/dbraw/zinc/25/06/55/831250655.db2.gz VYCBAIBKAJCDEW-UHFFFAOYSA-N -1 0 314.305 -0.548 20 0 DBADRM NC(=O)c1nccnc1[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001185006394 833776993 /nfs/dbraw/zinc/77/69/93/833776993.db2.gz ZZBLNXQRQYMWIB-UHFFFAOYSA-N -1 0 314.714 -0.180 20 0 DBADRM COc1ccc(S(=O)(=O)N2CCOC(=O)C2)cc1C(=O)[O-] ZINC001185299276 833790593 /nfs/dbraw/zinc/79/05/93/833790593.db2.gz KQZHOYDFFHVBNN-UHFFFAOYSA-N -1 0 315.303 -0.059 20 0 DBADRM CC(=O)N(C)CC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001147033524 831328858 /nfs/dbraw/zinc/32/88/58/831328858.db2.gz FOJNHZJCNPCTLB-UHFFFAOYSA-N -1 0 322.369 -0.977 20 0 DBADRM CCC(=O)NCC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001147225589 831351598 /nfs/dbraw/zinc/35/15/98/831351598.db2.gz OUDRCQHMSUUYKK-UHFFFAOYSA-N -1 0 322.369 -0.929 20 0 DBADRM Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H]3CO[N-]C3=O)cc2)[nH]1 ZINC001148336663 831446382 /nfs/dbraw/zinc/44/63/82/831446382.db2.gz QWKQYUZGNASEOZ-LLVKDONJSA-N -1 0 302.290 -0.041 20 0 DBADRM CN(C)C(=O)CC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001148402518 831450262 /nfs/dbraw/zinc/45/02/62/831450262.db2.gz VZYKIPSLRROASA-UHFFFAOYSA-N -1 0 322.369 -0.977 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148927476 831479053 /nfs/dbraw/zinc/47/90/53/831479053.db2.gz QNIUTUPGNGGJQS-LURJTMIESA-N -1 0 302.308 -0.497 20 0 DBADRM Cc1nnc(CNC(=O)c2cc(S(=O)(=O)[O-])ccc2O)[nH]1 ZINC001148933301 831479152 /nfs/dbraw/zinc/47/91/52/831479152.db2.gz JTTKNBYKVCVLSQ-UHFFFAOYSA-N -1 0 312.307 -0.005 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CO[N-]C2=O)c(Cl)c1 ZINC001149022047 831486240 /nfs/dbraw/zinc/48/62/40/831486240.db2.gz CAFCHHIAXSAYLV-SECBINFHSA-N -1 0 318.738 -0.097 20 0 DBADRM CC(C)c1cnc(CNCCNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001149160779 831501595 /nfs/dbraw/zinc/50/15/95/831501595.db2.gz FIUMLMZYNYKCFK-UHFFFAOYSA-N -1 0 324.341 -0.293 20 0 DBADRM CN(C(=O)Cn1nc(-c2ccccc2)oc1=O)c1nnn[n-]1 ZINC001149220090 831508186 /nfs/dbraw/zinc/50/81/86/831508186.db2.gz PXGLFTRELMEMOR-UHFFFAOYSA-N -1 0 301.266 -0.321 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001149309435 831516711 /nfs/dbraw/zinc/51/67/11/831516711.db2.gz GBSAVAUBNBPFOZ-UWVGGRQHSA-N -1 0 313.358 -0.748 20 0 DBADRM CNc1ccc2ncc(C(=O)NCC(=O)CCC(=O)[O-])n2n1 ZINC001149641748 831557333 /nfs/dbraw/zinc/55/73/33/831557333.db2.gz XJQZXGYWVHOVNE-UHFFFAOYSA-N -1 0 305.294 -0.065 20 0 DBADRM O=C(CCCF)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001150099538 831591659 /nfs/dbraw/zinc/59/16/59/831591659.db2.gz HAPWBSARTKIDDT-JTQLQIEISA-N -1 0 315.349 -0.033 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001150092255 831592324 /nfs/dbraw/zinc/59/23/24/831592324.db2.gz QYOHMBZYKSWOOY-ZJUUUORDSA-N -1 0 315.349 -0.035 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001150092254 831592390 /nfs/dbraw/zinc/59/23/90/831592390.db2.gz QYOHMBZYKSWOOY-VHSXEESVSA-N -1 0 315.349 -0.035 20 0 DBADRM NC(=O)c1ccc(CNC(=O)c2c[n-]n3c2nccc3=O)cn1 ZINC001150460192 831619454 /nfs/dbraw/zinc/61/94/54/831619454.db2.gz JCVZZFWBIXXCCU-UHFFFAOYSA-N -1 0 312.289 -0.554 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cn2cccnc2n1 ZINC001150839312 831650407 /nfs/dbraw/zinc/65/04/07/831650407.db2.gz POSBLRFXAFAHCU-QMMMGPOBSA-N -1 0 306.278 -0.135 20 0 DBADRM O=C(N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)[C@@H]1CC(=O)N1 ZINC001151369948 831680782 /nfs/dbraw/zinc/68/07/82/831680782.db2.gz KXJXPKSUKIBJOD-UWVGGRQHSA-N -1 0 301.306 -0.201 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1nc2ccccc2[nH]c1=O ZINC001151864319 831714789 /nfs/dbraw/zinc/71/47/89/831714789.db2.gz VJJYUFIAUXOIQQ-LLVKDONJSA-N -1 0 304.287 -0.038 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)CNC(=O)C1CC1 ZINC001152065068 831721316 /nfs/dbraw/zinc/72/13/16/831721316.db2.gz CXEUTEWIBRIEJO-SECBINFHSA-N -1 0 324.385 -0.637 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)c1cccc2c1NC(=O)C2=O ZINC001152456160 831751650 /nfs/dbraw/zinc/75/16/50/831751650.db2.gz UFGNTCUYVKWITO-NSHDSACASA-N -1 0 305.271 -0.140 20 0 DBADRM CCN(Cc1nnnn1C)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001152781485 831775041 /nfs/dbraw/zinc/77/50/41/831775041.db2.gz FQBNIOFIBKOMQB-MRVPVSSYSA-N -1 0 322.373 -0.412 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)CNC(=O)C2CC2)ccc1[O-] ZINC001153033374 831788199 /nfs/dbraw/zinc/78/81/99/831788199.db2.gz TUFPBRJZJJEISB-UHFFFAOYSA-N -1 0 313.335 -0.496 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](O)C(F)(F)C(F)(F)F ZINC001153276565 831800698 /nfs/dbraw/zinc/80/06/98/831800698.db2.gz IVZNTPKXJAZMKU-GSVOUGTGSA-N -1 0 320.174 -0.636 20 0 DBADRM C[C@H](CN(C)C(=O)CN1CCCCC(=O)C1=O)c1nnn[n-]1 ZINC001153677279 831824104 /nfs/dbraw/zinc/82/41/04/831824104.db2.gz YIFWLJQHECMXID-SECBINFHSA-N -1 0 308.342 -0.657 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc2c(c1)[nH]c(=O)[nH]c2=O ZINC001153800467 831835633 /nfs/dbraw/zinc/83/56/33/831835633.db2.gz GPZGTLYUJBCQLP-UHFFFAOYSA-N -1 0 302.250 -0.205 20 0 DBADRM O=C(c1c[n-]c2cccnc2c1=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001153859196 831840939 /nfs/dbraw/zinc/84/09/39/831840939.db2.gz XYZQJOGHNRNUOY-SKDRFNHKSA-N -1 0 303.318 -0.262 20 0 DBADRM O=C(N[C@@H]1C=CS(=O)(=O)C1)c1c[n-]c2cccnc2c1=O ZINC001153859962 831841960 /nfs/dbraw/zinc/84/19/60/831841960.db2.gz CXPVIZVZTBXZDU-MRVPVSSYSA-N -1 0 305.315 -0.036 20 0 DBADRM O=C(c1c[n-]c2cccnc2c1=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001153859193 831842125 /nfs/dbraw/zinc/84/21/25/831842125.db2.gz XYZQJOGHNRNUOY-BXKDBHETSA-N -1 0 303.318 -0.262 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@H]1CCCNC1=O ZINC001153914398 831849190 /nfs/dbraw/zinc/84/91/90/831849190.db2.gz LAIIQVDKAZUHHQ-ZJUUUORDSA-N -1 0 324.385 -0.637 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001154119704 831862315 /nfs/dbraw/zinc/86/23/15/831862315.db2.gz NMUAMUYMGGHYIJ-ZJUUUORDSA-N -1 0 324.385 -0.637 20 0 DBADRM COC(=O)c1cccc2c(C(=O)N=c3nn[n-]n3C)n[nH]c21 ZINC001154142466 831863756 /nfs/dbraw/zinc/86/37/56/831863756.db2.gz PFZZNQNHHYOILW-UHFFFAOYSA-N -1 0 301.266 -0.453 20 0 DBADRM COC(=O)c1cccc2c1n[nH]c2C(=O)NCS(=O)(=O)[O-] ZINC001154149455 831864609 /nfs/dbraw/zinc/86/46/09/831864609.db2.gz KXKHDNHVMNORGU-UHFFFAOYSA-N -1 0 313.291 -0.075 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001154719572 831897628 /nfs/dbraw/zinc/89/76/28/831897628.db2.gz HKRUAVQGPWKWOR-ZJUUUORDSA-N -1 0 324.385 -0.685 20 0 DBADRM COCCOc1cncc(C(=O)N[C@H](COC)c2nnn[n-]2)c1 ZINC001155070483 831914841 /nfs/dbraw/zinc/91/48/41/831914841.db2.gz XJZOGBPHQNVZOQ-LLVKDONJSA-N -1 0 322.325 -0.263 20 0 DBADRM COC[C@H](NC(=O)CCN1C(=O)C(C)=C(C)C1=O)c1nnn[n-]1 ZINC001155069718 831914912 /nfs/dbraw/zinc/91/49/12/831914912.db2.gz RMMAMZJQCNEHGM-VIFPVBQESA-N -1 0 322.325 -0.901 20 0 DBADRM O=C(c1cnc2n[nH]cc2c1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001155520990 831937177 /nfs/dbraw/zinc/93/71/77/831937177.db2.gz MNTFRCCKMHEUMG-UHFFFAOYSA-N -1 0 314.309 -0.405 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)C1(C(=O)NC)CC1 ZINC001155802849 831953234 /nfs/dbraw/zinc/95/32/34/831953234.db2.gz ZROGXERMVNMURZ-SECBINFHSA-N -1 0 324.385 -0.637 20 0 DBADRM CN1CCN(c2ccc(N[C@@H]3SC(=O)[N-]C3=O)nn2)CC1 ZINC001155837300 831955187 /nfs/dbraw/zinc/95/51/87/831955187.db2.gz LKFGPKPZRQLNHJ-LLVKDONJSA-N -1 0 308.367 -0.051 20 0 DBADRM NS(=O)(=O)c1cnc(N[C@@H]2SC(=O)[N-]C2=O)c(F)c1 ZINC001155846232 831955617 /nfs/dbraw/zinc/95/56/17/831955617.db2.gz NUGQTMIPMSGFEO-SSDOTTSWSA-N -1 0 306.300 -0.411 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2nc(OC)cc(OC)n2)C1=O ZINC001156426102 831984076 /nfs/dbraw/zinc/98/40/76/831984076.db2.gz QQPSOZMOIFMEPP-ZDUSSCGKSA-N -1 0 323.309 -0.141 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCOC1CCOCC1 ZINC001156500277 831986475 /nfs/dbraw/zinc/98/64/75/831986475.db2.gz LBMOGQOVNWVHPN-UHFFFAOYSA-N -1 0 302.356 -0.086 20 0 DBADRM CCOc1cnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc1 ZINC001157067671 832018420 /nfs/dbraw/zinc/01/84/20/832018420.db2.gz MJYPATFUAJGJDM-XPUUQOCRSA-N -1 0 302.312 -0.311 20 0 DBADRM C[C@H]1[C@H](Nc2nccc3c2ncn3C)C(=O)N1S(=O)(=O)[O-] ZINC001157067867 832019160 /nfs/dbraw/zinc/01/91/60/832019160.db2.gz WRSHPFSJIDXIHZ-XPUUQOCRSA-N -1 0 311.323 -0.218 20 0 DBADRM C[C@H]1[C@H](Nc2ncc3ncn(C)c3n2)C(=O)N1S(=O)(=O)[O-] ZINC001157070300 832019196 /nfs/dbraw/zinc/01/91/96/832019196.db2.gz GNKFYTPIVDCGQA-FSPLSTOPSA-N -1 0 312.311 -0.823 20 0 DBADRM C[C@H]1[C@H](Nc2ncnc3c2ccn3C)C(=O)N1S(=O)(=O)[O-] ZINC001157067744 832019212 /nfs/dbraw/zinc/01/92/12/832019212.db2.gz PTYVWKYKXQYONY-XPUUQOCRSA-N -1 0 311.323 -0.218 20 0 DBADRM COC(=O)c1ccnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157067893 832019339 /nfs/dbraw/zinc/01/93/39/832019339.db2.gz XTQQXOOPOHPZPZ-FSPLSTOPSA-N -1 0 316.295 -0.923 20 0 DBADRM CCOc1nccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157071151 832019362 /nfs/dbraw/zinc/01/93/62/832019362.db2.gz OXGADRDBNRIAGK-XPUUQOCRSA-N -1 0 302.312 -0.311 20 0 DBADRM NS(=O)(=O)CCOCCNC(=O)c1cc(F)cc(F)c1[O-] ZINC001157162357 832025859 /nfs/dbraw/zinc/02/58/59/832025859.db2.gz AMYKQWKBINQLNK-UHFFFAOYSA-N -1 0 324.305 -0.295 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCNC(=O)c1ccc(C)cc1O ZINC001157834698 832065296 /nfs/dbraw/zinc/06/52/96/832065296.db2.gz BXOYDJGTNYDKGA-UHFFFAOYSA-N -1 0 309.322 -0.386 20 0 DBADRM C[C@H]1C[C@@H](CF)N(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185655282 833803716 /nfs/dbraw/zinc/80/37/16/833803716.db2.gz WAKKKWUHBOXDNV-YUMQZZPRSA-N -1 0 310.266 -0.258 20 0 DBADRM CN(CC(=O)Nc1ccc(Cl)nn1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653942 833803889 /nfs/dbraw/zinc/80/38/89/833803889.db2.gz LTIHOPJEYLAEML-UHFFFAOYSA-N -1 0 322.649 -0.383 20 0 DBADRM CN(CC(=O)Nc1cn(CCF)cn1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654289 833803941 /nfs/dbraw/zinc/80/39/41/833803941.db2.gz MTJOPNSLZDUKPL-UHFFFAOYSA-N -1 0 322.237 -0.660 20 0 DBADRM CCCCC(=O)[C@H](C)NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663511 833804524 /nfs/dbraw/zinc/80/45/24/833804524.db2.gz MGPZAHYVKPQBAG-QMMMGPOBSA-N -1 0 322.302 -0.201 20 0 DBADRM CN(CC(=O)N1CCC[C@H](CCO)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657591 833804853 /nfs/dbraw/zinc/80/48/53/833804853.db2.gz YQQZZXXHYSHBGY-SECBINFHSA-N -1 0 322.302 -0.844 20 0 DBADRM C[C@H]1OCC[C@H]1CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662673 833805099 /nfs/dbraw/zinc/80/50/99/833805099.db2.gz DSPVUJMCDVKKQK-SFYZADRCSA-N -1 0 308.275 -0.924 20 0 DBADRM C[C@@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1cnn(C)c1 ZINC001185664193 833805689 /nfs/dbraw/zinc/80/56/89/833805689.db2.gz RTEDLSYAQUPHRY-SSDOTTSWSA-N -1 0 318.274 -0.854 20 0 DBADRM CN(CC(=O)NC[C@@H]1CCCCO1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664608 833805869 /nfs/dbraw/zinc/80/58/69/833805869.db2.gz WUDDQVQBAOLZFN-QMMMGPOBSA-N -1 0 308.275 -0.779 20 0 DBADRM C[C@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1cncnc1 ZINC001185664697 833805909 /nfs/dbraw/zinc/80/59/09/833805909.db2.gz YJWGHZBTDNEUFU-ZETCQYMHSA-N -1 0 316.258 -0.797 20 0 DBADRM C[C@H]1[C@H](NC(=O)Nc2cccnc2)C(=O)N1S(=O)(=O)[O-] ZINC001185704778 833807832 /nfs/dbraw/zinc/80/78/32/833807832.db2.gz BHWHPMLKUQHVAA-XPUUQOCRSA-N -1 0 300.296 -0.395 20 0 DBADRM CC[C@@H](C)N1CC[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269576453 832451185 /nfs/dbraw/zinc/45/11/85/832451185.db2.gz MMFVIQPOQXNZFZ-QMTHXVAHSA-N -1 0 306.370 -0.008 20 0 DBADRM CC(C)=CCN1CC2(CN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269576747 832451913 /nfs/dbraw/zinc/45/19/13/832451913.db2.gz VJFDIGBMRHMDFQ-UHFFFAOYSA-N -1 0 320.353 -0.852 20 0 DBADRM CC(C)CN1CC[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269578267 832452156 /nfs/dbraw/zinc/45/21/56/832452156.db2.gz ZCUMZNHYIKVBPY-AWEZNQCLSA-N -1 0 306.370 -0.151 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCCC[C@]12CC(=O)N(C1COC1)C2 ZINC001269577458 832452189 /nfs/dbraw/zinc/45/21/89/832452189.db2.gz JPHNGSUCLNOUEN-CQSZACIVSA-N -1 0 320.353 -0.875 20 0 DBADRM CN(C)C(=O)CN1C[C@@H]2CCN(C(=O)c3cc(=O)[nH]cn3)[C@@H]2C1 ZINC001270121605 832501935 /nfs/dbraw/zinc/50/19/35/832501935.db2.gz WNKMBHBAOJXVCV-CMPLNLGQSA-N -1 0 319.365 -0.583 20 0 DBADRM COCCOCN1CC[C@H]2[C@@H]1CCN2C(=O)Cc1nnn[n-]1 ZINC001270182525 832509669 /nfs/dbraw/zinc/50/96/69/832509669.db2.gz HZMRJCNDDFCUGU-QWRGUYRKSA-N -1 0 310.358 -0.962 20 0 DBADRM CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nnn[n-]1 ZINC001270183414 832510342 /nfs/dbraw/zinc/51/03/42/832510342.db2.gz VLWSYLNABKCCBU-AOOOYVTPSA-N -1 0 307.358 -0.465 20 0 DBADRM CCn1ccnc1CN1CC2(C1)CN(C(=O)Cc1nnn[n-]1)C2 ZINC001270183530 832510379 /nfs/dbraw/zinc/51/03/79/832510379.db2.gz YJHNWFHCOIWJMJ-UHFFFAOYSA-N -1 0 316.369 -0.697 20 0 DBADRM O=C(Cc1nnn[n-]1)N1C[C@@H]2[C@H](C1)OCCN2C1CCCC1 ZINC001270182937 832510516 /nfs/dbraw/zinc/51/05/16/832510516.db2.gz OEQBEACXHDHOAG-NEPJUHHUSA-N -1 0 306.370 -0.404 20 0 DBADRM Cc1cc(CN2CC3(C2)CN(C(=O)Cc2nnn[n-]2)C3)n(C)n1 ZINC001270182857 832510617 /nfs/dbraw/zinc/51/06/17/832510617.db2.gz MOGYRLMOOUEJIN-UHFFFAOYSA-N -1 0 316.369 -0.871 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001270299047 832520419 /nfs/dbraw/zinc/52/04/19/832520419.db2.gz CVWHHEFJFDZYQI-UHFFFAOYSA-N -1 0 320.382 -0.971 20 0 DBADRM CN1CC[C@]2(CCN(C(=O)C[N-]C(=O)C(F)(F)F)C2)C1=O ZINC001270670850 832563990 /nfs/dbraw/zinc/56/39/90/832563990.db2.gz XBGODPZLKQNHEJ-LLVKDONJSA-N -1 0 307.272 -0.254 20 0 DBADRM CN(C)C(=O)c1noc2c1CN(C(=O)Cc1nnn[n-]1)CC2 ZINC001270788324 832578259 /nfs/dbraw/zinc/57/82/59/832578259.db2.gz DZPKUNKAJXEKEN-UHFFFAOYSA-N -1 0 305.298 -0.983 20 0 DBADRM CN(C)C(=O)c1cc2c([nH]1)CN(C(=O)Cc1nnn[n-]1)CC2 ZINC001270788349 832578280 /nfs/dbraw/zinc/57/82/80/832578280.db2.gz FTHLPUWRBVNAHU-UHFFFAOYSA-N -1 0 303.326 -0.643 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC2(C[C@H]2C(=O)N2CCCC23CC3)C1 ZINC001270788586 832578463 /nfs/dbraw/zinc/57/84/63/832578463.db2.gz GTTLFQHNJDKALJ-JTQLQIEISA-N -1 0 316.365 -0.254 20 0 DBADRM CCN(C(=O)[C@@]12C[C@@H]1CN(C(=O)Cc1nnn[n-]1)C2)C(C)C ZINC001270789497 832578902 /nfs/dbraw/zinc/57/89/02/832578902.db2.gz RNGLBCKOHPQQED-QMTHXVAHSA-N -1 0 306.370 -0.152 20 0 DBADRM CCOC(=O)CCNC(=O)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001187228931 833910531 /nfs/dbraw/zinc/91/05/31/833910531.db2.gz YAVKTSYUHMZEAG-QMMMGPOBSA-N -1 0 304.299 -0.355 20 0 DBADRM NC(=O)c1ccc2c(n1)CCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270938926 832598545 /nfs/dbraw/zinc/59/85/45/832598545.db2.gz LOUCGCDZKGEQMH-UHFFFAOYSA-N -1 0 319.350 -0.959 20 0 DBADRM NC(=O)[C@H]1CCC2(C1)CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001270939128 832598628 /nfs/dbraw/zinc/59/86/28/832598628.db2.gz OKTPZOZLBFRDLT-VIFPVBQESA-N -1 0 324.410 -0.144 20 0 DBADRM O=C(C[C@H]1C=CCCC1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001271304042 832654917 /nfs/dbraw/zinc/65/49/17/832654917.db2.gz RUPRARWUIJKTCC-NSHDSACASA-N -1 0 321.381 -0.080 20 0 DBADRM C[C@@H](O)CC(=O)N1CCc2onc(C(=O)[N-]c3nnco3)c2C1 ZINC001271935587 832717498 /nfs/dbraw/zinc/71/74/98/832717498.db2.gz SOPHYLISMKBVDD-SSDOTTSWSA-N -1 0 321.293 -0.035 20 0 DBADRM COC(=O)c1ncc(=O)[nH]c1[N-]S(=O)(=O)c1nccs1 ZINC001187918189 833959361 /nfs/dbraw/zinc/95/93/61/833959361.db2.gz VVJNDEPWKKINPA-UHFFFAOYSA-N -1 0 316.320 -0.186 20 0 DBADRM CC(=O)[C@@H](C)N1CC2(CN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O ZINC001272283590 832767026 /nfs/dbraw/zinc/76/70/26/832767026.db2.gz VRPVJAAJLGJRPQ-MRVPVSSYSA-N -1 0 322.321 -0.854 20 0 DBADRM C[NH+](C)CCN1CC[C@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1=O ZINC001272286502 832767721 /nfs/dbraw/zinc/76/77/21/832767721.db2.gz QAUGKSOHKQCSJZ-OAHLLOKOSA-N -1 0 321.381 -0.259 20 0 DBADRM O=C(CCCO)N1CCc2onc(C(=O)[N-]c3nnco3)c2C1 ZINC001273341408 832913272 /nfs/dbraw/zinc/91/32/72/832913272.db2.gz QHTJPTACXPYPBY-UHFFFAOYSA-N -1 0 321.293 -0.033 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CCC[C@@H](Oc2ncccn2)C1 ZINC001177739086 833480418 /nfs/dbraw/zinc/48/04/18/833480418.db2.gz LPEQOALMVFMUCM-SECBINFHSA-N -1 0 321.366 -0.178 20 0 DBADRM COC(=O)CC[C@@H]1COCCN1C(=O)Cn1nn[n-]c1=S ZINC001177739101 833480590 /nfs/dbraw/zinc/48/05/90/833480590.db2.gz LTUYDBGPYWYCGD-MRVPVSSYSA-N -1 0 315.355 -0.858 20 0 DBADRM CCOC(=O)c1cc(NC(=O)Cn2nn[n-]c2=S)n(C)n1 ZINC001177736268 833480616 /nfs/dbraw/zinc/48/06/16/833480616.db2.gz HRYXBKSFMZHHOP-UHFFFAOYSA-N -1 0 311.327 -0.489 20 0 DBADRM Nc1ccc(OCCO)c(NC(=O)Cn2nn[n-]c2=S)c1 ZINC001177741221 833480906 /nfs/dbraw/zinc/48/09/06/833480906.db2.gz ZTBNCWDNMCPLDC-UHFFFAOYSA-N -1 0 310.339 -0.446 20 0 DBADRM Cn1cnnc1C1CCN(C(=O)Cn2nn[n-]c2=S)CC1 ZINC001177740206 833480935 /nfs/dbraw/zinc/48/09/35/833480935.db2.gz ZVSYRVKFZFSBFI-UHFFFAOYSA-N -1 0 308.371 -0.504 20 0 DBADRM COC(=O)CC1(NC(=O)Cn2nn[n-]c2=S)CCOCC1 ZINC001177743116 833480978 /nfs/dbraw/zinc/48/09/78/833480978.db2.gz KHBVJTDZTZZJOR-UHFFFAOYSA-N -1 0 315.355 -0.810 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NCc1cc(OCC2CC2)ncn1 ZINC001177742590 833481040 /nfs/dbraw/zinc/48/10/40/833481040.db2.gz GPFKDJKOTRJWBH-UHFFFAOYSA-N -1 0 321.366 -0.143 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)Cn2nn[n-]c2=S)C1 ZINC001177740113 833481141 /nfs/dbraw/zinc/48/11/41/833481141.db2.gz YCHUBEJWRDPYGT-MRVPVSSYSA-N -1 0 313.387 -0.776 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N[C@@H]1C(=O)NCc2ccccc21 ZINC001177742752 833481173 /nfs/dbraw/zinc/48/11/73/833481173.db2.gz FLDBHZPAWPRRGO-JTQLQIEISA-N -1 0 304.335 -0.551 20 0 DBADRM CN1C(=O)CC[C@H]2CN(C(=O)Cn3nn[n-]c3=S)CC[C@H]21 ZINC001177739443 833481198 /nfs/dbraw/zinc/48/11/98/833481198.db2.gz OJLHKLWFRKXJEF-DTWKUNHWSA-N -1 0 310.383 -0.569 20 0 DBADRM COC(=O)c1csc(CNC(=O)Cn2nn[n-]c2=S)n1 ZINC001177742997 833481210 /nfs/dbraw/zinc/48/12/10/833481210.db2.gz IHYPXHHAWUKHRP-UHFFFAOYSA-N -1 0 314.352 -0.479 20 0 DBADRM CSc1nc(NC(=O)Cn2nn[n-]c2=S)cc(=O)n1C ZINC001177743183 833481218 /nfs/dbraw/zinc/48/12/18/833481218.db2.gz LIUPRYSXLGFXLB-UHFFFAOYSA-N -1 0 313.368 -0.584 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NCCC1CCS(=O)(=O)CC1 ZINC001177744239 833481562 /nfs/dbraw/zinc/48/15/62/833481562.db2.gz SNVXQIYCCAOBNR-UHFFFAOYSA-N -1 0 319.412 -0.707 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NC[C@@H]1C(=O)Nc2ccccc21 ZINC001177746085 833481635 /nfs/dbraw/zinc/48/16/35/833481635.db2.gz PRTHSJKLCMXHRL-QMMMGPOBSA-N -1 0 304.335 -0.186 20 0 DBADRM C[C@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)c1cccnc1 ZINC001177793328 833482303 /nfs/dbraw/zinc/48/23/03/833482303.db2.gz KUPJTBDPSIZJQW-NRPADANISA-N -1 0 313.335 -0.297 20 0 DBADRM COC[C@H](NC(=O)c1cnn(-c2cccnc2)c1)c1nnn[n-]1 ZINC001177827979 833483223 /nfs/dbraw/zinc/48/32/23/833483223.db2.gz JQJQXPUXHJEDTE-NSHDSACASA-N -1 0 314.309 -0.102 20 0 DBADRM O=C(Cc1csc(Br)n1)N[C@@H]1CO[N-]C1=O ZINC001178293277 833500982 /nfs/dbraw/zinc/50/09/82/833500982.db2.gz UFFOYHLJAOHIHA-RXMQYKEDSA-N -1 0 306.141 -0.006 20 0 DBADRM O=C([O-])CN1CCCn2nc(C(=O)Nc3nnco3)cc2C1=O ZINC001178362732 833503136 /nfs/dbraw/zinc/50/31/36/833503136.db2.gz VXDUKMDFJDQESO-UHFFFAOYSA-N -1 0 320.265 -0.551 20 0 DBADRM CC(=O)CN(C)C(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178367488 833503412 /nfs/dbraw/zinc/50/34/12/833503412.db2.gz DUBWEZXOWZCUNP-UHFFFAOYSA-N -1 0 322.321 -0.525 20 0 DBADRM O=C([O-])CN1CCCn2nc(C(=O)N[C@@H]3C[C@H]3F)cc2C1=O ZINC001178371550 833504002 /nfs/dbraw/zinc/50/40/02/833504002.db2.gz GZYSGYPHEAEABD-HTQZYQBOSA-N -1 0 310.285 -0.346 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCS(=O)(=O)[O-])C1 ZINC001178586639 833515595 /nfs/dbraw/zinc/51/55/95/833515595.db2.gz PTLRDFYBQAAAOI-QMMMGPOBSA-N -1 0 324.355 -0.416 20 0 DBADRM COc1cccc(N2C[C@@H](C(=O)N[C@@H]3CO[N-]C3=O)CC2=O)c1 ZINC001178633571 833517917 /nfs/dbraw/zinc/51/79/17/833517917.db2.gz ZAUDAPVHHNUIQC-JOYOIKCWSA-N -1 0 319.317 -0.406 20 0 DBADRM C[C@H]1[C@H](NC(=O)/C=C/C(F)(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001179928860 833564071 /nfs/dbraw/zinc/56/40/71/833564071.db2.gz RHYWKLKYMOMZHY-WTGRQMMKSA-N -1 0 302.230 -0.377 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCOC1CCSCC1 ZINC001180122566 833569836 /nfs/dbraw/zinc/56/98/36/833569836.db2.gz DCDOGAAPXYRXAB-UHFFFAOYSA-N -1 0 302.356 -0.282 20 0 DBADRM CN1CC[C@@H](C(=O)NC(=N)SCCS(=O)(=O)[O-])CC1=O ZINC001180636817 833596161 /nfs/dbraw/zinc/59/61/61/833596161.db2.gz GLDOZBPEPKVVBL-SSDOTTSWSA-N -1 0 323.396 -0.473 20 0 DBADRM CC(=O)N[C@@H](CC(F)(F)F)C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001181339468 833627665 /nfs/dbraw/zinc/62/76/65/833627665.db2.gz MMWBOXMZIGMNHW-FFWSUHOLSA-N -1 0 313.257 -0.131 20 0 DBADRM O=C(CC1CCS(=O)(=O)CC1)N[C@@H]1SC(=O)[N-]C1=O ZINC001181544856 833634855 /nfs/dbraw/zinc/63/48/55/833634855.db2.gz BGWCSNRAETXYBG-SECBINFHSA-N -1 0 306.365 -0.373 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H]1CN(Cc2ccccc2)CC1=O ZINC001181562864 833635521 /nfs/dbraw/zinc/63/55/21/833635521.db2.gz AFTRPMDDUSGEQF-NSHDSACASA-N -1 0 300.322 -0.483 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CN(Cc2ccccc2)CC1=O ZINC001181570757 833636403 /nfs/dbraw/zinc/63/64/03/833636403.db2.gz CKYMEOPQKXXSLR-NSHDSACASA-N -1 0 315.333 -0.172 20 0 DBADRM C[C@H]1C(=O)OC[C@H]1C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001182086418 833656289 /nfs/dbraw/zinc/65/62/89/833656289.db2.gz KSSJFQOCOKWAME-HZGVNTEJSA-N -1 0 324.314 -0.134 20 0 DBADRM C[C@@H]1C(=O)OC[C@@H]1C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001182086422 833656352 /nfs/dbraw/zinc/65/63/52/833656352.db2.gz KSSJFQOCOKWAME-RCOVLWMOSA-N -1 0 324.314 -0.134 20 0 DBADRM NC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001182376667 833671826 /nfs/dbraw/zinc/67/18/26/833671826.db2.gz HRAMAAOJMKWEGF-YUMQZZPRSA-N -1 0 309.303 -0.821 20 0 DBADRM O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1SC(=O)[N-]C1=O ZINC001182945284 833696381 /nfs/dbraw/zinc/69/63/81/833696381.db2.gz KCAARDQTBGMRFC-GFCCVEGCSA-N -1 0 318.314 -0.178 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CO)C(F)(F)F ZINC001183287515 833712480 /nfs/dbraw/zinc/71/24/80/833712480.db2.gz IGCZEXLUKHDSTL-WDSKDSINSA-N -1 0 301.217 -0.320 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)C1=C[C@](C)(O)C=C[C@H]1O ZINC001183551713 833722869 /nfs/dbraw/zinc/72/28/69/833722869.db2.gz KYVOGESGKGLQKF-IMSIIYSGSA-N -1 0 313.306 -0.883 20 0 DBADRM O=C(Cn1cc(F)c(=O)[nH]c1=O)Nc1cc(=O)[n-]c(Cl)n1 ZINC001183654863 833726648 /nfs/dbraw/zinc/72/66/48/833726648.db2.gz PIYUSFKZZNQQET-UHFFFAOYSA-N -1 0 315.648 -0.124 20 0 DBADRM O=C(Cn1cc(F)c(=O)[nH]c1=O)NCCCC[P@](=O)([O-])O ZINC001183661638 833727221 /nfs/dbraw/zinc/72/72/21/833727221.db2.gz DMFXXEIAQYDVPV-UHFFFAOYSA-N -1 0 323.217 -0.838 20 0 DBADRM O=C([O-])COc1ccc(OCC(=O)NCCn2ccnn2)cc1 ZINC001183901996 833740856 /nfs/dbraw/zinc/74/08/56/833740856.db2.gz DLVHRVVKVXDASB-UHFFFAOYSA-N -1 0 320.305 -0.063 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183911737 833741436 /nfs/dbraw/zinc/74/14/36/833741436.db2.gz OTFWWXSHSYWQPH-VIFPVBQESA-N -1 0 310.306 -0.221 20 0 DBADRM O=C([O-])COc1ccc(OCC(=O)NC[C@H](O)CF)cc1 ZINC001183914108 833742156 /nfs/dbraw/zinc/74/21/56/833742156.db2.gz YHYJXBLPHMYVCK-SECBINFHSA-N -1 0 301.270 -0.025 20 0 DBADRM CS(=O)(=O)Nc1cccc(CC(=O)NCS(=O)(=O)[O-])c1 ZINC001184014007 833745108 /nfs/dbraw/zinc/74/51/08/833745108.db2.gz RVNAVNKQLPEIIA-UHFFFAOYSA-N -1 0 322.364 -0.438 20 0 DBADRM N=C(NC(=O)C[C@@H](O)C(F)(F)F)SCCS(=O)(=O)[O-] ZINC001184038156 833745296 /nfs/dbraw/zinc/74/52/96/833745296.db2.gz GMZIVONDPCPLGQ-SCSAIBSYSA-N -1 0 324.302 -0.028 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2cc3c(cn2)nc[nH]c3=O)C(=O)N1C ZINC001184071145 833747667 /nfs/dbraw/zinc/74/76/67/833747667.db2.gz SOEVTPSWDUNIJR-ZCFIWIBFSA-N -1 0 316.277 -0.342 20 0 DBADRM Cc1ccc(C)c(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001184608356 833765491 /nfs/dbraw/zinc/76/54/91/833765491.db2.gz NVBWNBKWEBXNSK-WPRPVWTQSA-N -1 0 313.335 -0.170 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@H]2CC[C@H](CO)CC2)C(=O)N1S(=O)(=O)[O-] ZINC001184760101 833769373 /nfs/dbraw/zinc/76/93/73/833769373.db2.gz FIVADTWGVCORNX-XKNYDFJKSA-N -1 0 320.367 -0.697 20 0 DBADRM CSc1ncc([O-])c(C(=O)N[C@@H](CO)Cc2c[nH]cn2)n1 ZINC001185188333 833782364 /nfs/dbraw/zinc/78/23/64/833782364.db2.gz XENWOUQPSLIBBC-MRVPVSSYSA-N -1 0 309.351 -0.039 20 0 DBADRM CSc1ncc([O-])c(C(=O)Nc2cc(=O)n(C)c(=O)[nH]2)n1 ZINC001185187615 833782429 /nfs/dbraw/zinc/78/24/29/833782429.db2.gz DSXJGDCHVDPWRW-UHFFFAOYSA-N -1 0 309.307 -0.044 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H]2CCNC2=O)cc1C(=O)[O-] ZINC001185320689 833791436 /nfs/dbraw/zinc/79/14/36/833791436.db2.gz SCHOUNIQJPGAPN-SECBINFHSA-N -1 0 314.319 -0.440 20 0 DBADRM O=C1O[C@H]2C[C@@H]1N(S(=O)(=O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC001185591966 833799681 /nfs/dbraw/zinc/79/96/81/833799681.db2.gz GWFJAASIGFRLQS-WPRPVWTQSA-N -1 0 321.318 -0.445 20 0 DBADRM CC(=O)NC1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001185589479 833799790 /nfs/dbraw/zinc/79/97/90/833799790.db2.gz ZEZVTKQOJBUHEY-UHFFFAOYSA-N -1 0 322.350 -0.624 20 0 DBADRM O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)N[C@@H]1CO[N-]C1=O ZINC001185610829 833800537 /nfs/dbraw/zinc/80/05/37/833800537.db2.gz LCAOVFBLHJCFGL-OLZOCXBDSA-N -1 0 317.345 -0.234 20 0 DBADRM Nc1nc2c(ncn2CC(=O)NCc2n[nH]c(=O)[n-]2)c(Cl)n1 ZINC001185906027 833817144 /nfs/dbraw/zinc/81/71/44/833817144.db2.gz XFYADGXDZHPRDQ-UHFFFAOYSA-N -1 0 323.704 -0.798 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC1(O)COC1 ZINC001185923971 833817233 /nfs/dbraw/zinc/81/72/33/833817233.db2.gz RIDHJEXOBGBEBG-UHFFFAOYSA-N -1 0 301.320 -0.267 20 0 DBADRM CN(C[C@H](O)CO)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186158945 833835998 /nfs/dbraw/zinc/83/59/98/833835998.db2.gz LUEDXKXEUWKHMB-ZETCQYMHSA-N -1 0 307.299 -0.502 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)C(=O)N1S(=O)(=O)[O-] ZINC001186889398 833884073 /nfs/dbraw/zinc/88/40/73/833884073.db2.gz MGZMDFXKLFEITN-XVMARJQXSA-N -1 0 312.294 -0.060 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N[C@@H]1CO[N-]C1=O ZINC001186935408 833887944 /nfs/dbraw/zinc/88/79/44/833887944.db2.gz RLLWIILWSSVJJY-DJLDLDEBSA-N -1 0 315.326 -0.928 20 0 DBADRM CCO[C@H](C)C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001186965381 833892035 /nfs/dbraw/zinc/89/20/35/833892035.db2.gz ICAADNKSWHBILS-OUAUKWLOSA-N -1 0 309.370 -0.032 20 0 DBADRM COc1cccc(OC)c1NC(=O)C(=O)NCc1nnn[n-]1 ZINC001187485878 833928808 /nfs/dbraw/zinc/92/88/08/833928808.db2.gz YENCELXAKPYFFG-UHFFFAOYSA-N -1 0 306.282 -0.528 20 0 DBADRM CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N2S(=O)(=O)c1ncc[n-]1 ZINC001277166926 833929863 /nfs/dbraw/zinc/92/98/63/833929863.db2.gz ATYSDFJMJQLXCY-AOOOYVTPSA-N -1 0 313.383 -0.025 20 0 DBADRM O=C(CNC(=O)[C@@H]1CCC(=O)N1)Nc1cc(=O)[n-]c(Cl)n1 ZINC001187510246 833929851 /nfs/dbraw/zinc/92/98/51/833929851.db2.gz DHBSDIHFFAQSKI-YFKPBYRVSA-N -1 0 313.701 -0.831 20 0 DBADRM CC(C)NC(=O)N1CC2(C1)CN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001277167223 833930076 /nfs/dbraw/zinc/93/00/76/833930076.db2.gz MSOQUNBRLHVNHN-UHFFFAOYSA-N -1 0 313.383 -0.166 20 0 DBADRM COCCn1nccc1C(=O)Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21 ZINC001187867981 833954318 /nfs/dbraw/zinc/95/43/18/833954318.db2.gz BUDUOBASHQSKOS-UHFFFAOYSA-N -1 0 319.281 -0.189 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1cc(NC(C)=O)ncn1 ZINC001188352940 833977659 /nfs/dbraw/zinc/97/76/59/833977659.db2.gz PRVAYWGEIDOBDF-UHFFFAOYSA-N -1 0 302.312 -0.260 20 0 DBADRM CC(=O)NCc1nnc2n1CCN(C(=O)c1ccncc1[O-])C2 ZINC001188628192 833997078 /nfs/dbraw/zinc/99/70/78/833997078.db2.gz XJWQBMZTZHDGLO-UHFFFAOYSA-N -1 0 316.321 -0.329 20 0 DBADRM O=C(NC[C@@H]1CNC(=O)O1)c1ccccc1S(=O)(=O)[O-] ZINC001189714460 834106582 /nfs/dbraw/zinc/10/65/82/834106582.db2.gz SNBTURIHHVDLOR-SSDOTTSWSA-N -1 0 300.292 -0.229 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)c1ccccc1S(=O)(=O)[O-] ZINC001189703984 834106794 /nfs/dbraw/zinc/10/67/94/834106794.db2.gz QSYUMUKEQGHHKJ-JTQLQIEISA-N -1 0 314.363 -0.006 20 0 DBADRM C[NH+](C)CCNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189913920 834124668 /nfs/dbraw/zinc/12/46/68/834124668.db2.gz HLYXPFCXHMMKTJ-UHFFFAOYSA-N -1 0 316.335 -0.077 20 0 DBADRM CCc1nc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cs1 ZINC001190048899 834135998 /nfs/dbraw/zinc/13/59/98/834135998.db2.gz NCSSFMIVUKSGRF-XNCJUZBTSA-N -1 0 319.364 -0.163 20 0 DBADRM O=C1NCCN1CC[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190133493 834141506 /nfs/dbraw/zinc/14/15/06/834141506.db2.gz BGRJPCSIKPTVED-UHFFFAOYSA-N -1 0 306.294 -0.337 20 0 DBADRM O=S(=O)([N-][C@@H]1CCS(=O)(=O)C1)c1ncc(F)cc1F ZINC001190189462 834145601 /nfs/dbraw/zinc/14/56/01/834145601.db2.gz FVNTVMMPMIALSH-SSDOTTSWSA-N -1 0 312.319 -0.175 20 0 DBADRM O=S(=O)([N-]CCN1CC[C@@H](O)C1)c1ncc(F)cc1F ZINC001190207769 834146752 /nfs/dbraw/zinc/14/67/52/834146752.db2.gz WBIBQFPNORSKFZ-SECBINFHSA-N -1 0 307.322 -0.295 20 0 DBADRM O=C1C=CC(=O)N1CC[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190196581 834146868 /nfs/dbraw/zinc/14/68/68/834146868.db2.gz HZIYFMGTZSYPPC-UHFFFAOYSA-N -1 0 317.273 -0.437 20 0 DBADRM NC(=O)c1nc(C[N-]S(=O)(=O)c2ncc(F)cc2F)no1 ZINC001190207560 834146875 /nfs/dbraw/zinc/14/68/75/834146875.db2.gz RCGGNXYIVXSZLE-UHFFFAOYSA-N -1 0 319.249 -0.680 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]CCOCCCO ZINC001190197397 834146903 /nfs/dbraw/zinc/14/69/03/834146903.db2.gz GKZCPPKZJNUNAP-UHFFFAOYSA-N -1 0 302.418 -0.272 20 0 DBADRM O=S(=O)([N-]c1cc(N2CCOCC2)ncn1)c1ncc[nH]1 ZINC001190689666 834180278 /nfs/dbraw/zinc/18/02/78/834180278.db2.gz NGQXISVWCXUBNY-UHFFFAOYSA-N -1 0 310.339 -0.163 20 0 DBADRM CCCC(=O)N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1O ZINC001190684801 834180536 /nfs/dbraw/zinc/18/05/36/834180536.db2.gz MCJQOMAMXGUPSH-VXGBXAGGSA-N -1 0 319.365 -0.516 20 0 DBADRM COC(=O)[C@@]12COC[C@@H]1CN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190699389 834181531 /nfs/dbraw/zinc/18/15/31/834181531.db2.gz YJCFIWRDWMARLC-KWQFWETISA-N -1 0 301.324 -0.780 20 0 DBADRM CNC(=O)c1cnc2n1CCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190697872 834181795 /nfs/dbraw/zinc/18/17/95/834181795.db2.gz CIYJGHJWTWLWEM-UHFFFAOYSA-N -1 0 310.339 -0.830 20 0 DBADRM O=C1CC2(CCN(S(=O)(=O)c3ncc[n-]3)CC2)CC(=O)N1 ZINC001190708233 834182756 /nfs/dbraw/zinc/18/27/56/834182756.db2.gz ZXCCIOUJBFHLDH-UHFFFAOYSA-N -1 0 312.351 -0.383 20 0 DBADRM COc1cnc(N2CCN(S(=O)(=O)c3ncc[n-]3)CC2)nc1 ZINC001190716149 834184032 /nfs/dbraw/zinc/18/40/32/834184032.db2.gz OOTPNOLYLRWGSE-UHFFFAOYSA-N -1 0 324.366 -0.281 20 0 DBADRM CS(=O)(=O)c1ccc(CNS(=O)(=O)c2ncc[n-]2)nc1 ZINC001190736664 834185949 /nfs/dbraw/zinc/18/59/49/834185949.db2.gz HARVJCOVWNTDGZ-UHFFFAOYSA-N -1 0 316.364 -0.313 20 0 DBADRM CCNC(=O)N1CCC(NS(=O)(=O)c2ncc[n-]2)CC1 ZINC001190739520 834186586 /nfs/dbraw/zinc/18/65/86/834186586.db2.gz LSKDLBPZUVUYLQ-UHFFFAOYSA-N -1 0 301.372 -0.118 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](NS(=O)(=O)c2ncc[n-]2)C1 ZINC001190762844 834188978 /nfs/dbraw/zinc/18/89/78/834188978.db2.gz WQNRRWVMLJKYAV-UTLUCORTSA-N -1 0 317.367 -0.219 20 0 DBADRM CC1(c2cccc(C(=O)NCS(=O)(=O)[O-])n2)OCCO1 ZINC001190858582 834198618 /nfs/dbraw/zinc/19/86/18/834198618.db2.gz NEQHNRBCTJZGIJ-UHFFFAOYSA-N -1 0 302.308 -0.124 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](O)C2)c([O-])cc1Cl ZINC001191044346 834216326 /nfs/dbraw/zinc/21/63/26/834216326.db2.gz ARLKSGCNXBZHLR-IZLXSQMJSA-N -1 0 320.754 -0.054 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1cc(Br)cn(C)c1=O ZINC001191189928 834230623 /nfs/dbraw/zinc/23/06/23/834230623.db2.gz IJJLCGFDKDBOKD-UHFFFAOYSA-N -1 0 313.115 -0.655 20 0 DBADRM Cc1ncc(Br)c(C(=O)N[C@@H]2CO[N-]C2=O)n1 ZINC001191243496 834234017 /nfs/dbraw/zinc/23/40/17/834234017.db2.gz RBEVMRVMIZBEDV-ZCFIWIBFSA-N -1 0 301.100 -0.293 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)Nc2cnc(C)[nH]c2=O)cc1 ZINC001191649274 834274662 /nfs/dbraw/zinc/27/46/62/834274662.db2.gz ZHJYFIBVRXHKSJ-LLVKDONJSA-N -1 0 322.346 -0.278 20 0 DBADRM COC(=O)[C@H](COC(C)(C)C)NC(=O)N[C@@H]1CO[N-]C1=O ZINC001191923199 834303714 /nfs/dbraw/zinc/30/37/14/834303714.db2.gz HQALWZBSNBLLJW-SFYZADRCSA-N -1 0 303.315 -0.928 20 0 DBADRM O=C([O-])CCc1ccc(S(=O)(=O)NCC(=O)CCO)cc1 ZINC001192163757 834337185 /nfs/dbraw/zinc/33/71/85/834337185.db2.gz ZVPGKICOBXNMES-UHFFFAOYSA-N -1 0 315.347 -0.066 20 0 DBADRM CC[C@H](SC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001192263274 834347017 /nfs/dbraw/zinc/34/70/17/834347017.db2.gz NUQXMCAWAVXNMU-HLTSFMKQSA-N -1 0 315.399 -0.687 20 0 DBADRM COC(=O)c1ccc([O-])c(C(=O)NCCS(C)(=O)=O)c1 ZINC001192380716 834366545 /nfs/dbraw/zinc/36/65/45/834366545.db2.gz KGAXZMSTNOTKQC-UHFFFAOYSA-N -1 0 301.320 -0.047 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1ccn[nH]c1=O ZINC001192395218 834368831 /nfs/dbraw/zinc/36/88/31/834368831.db2.gz CAASCQUGRUZQOD-UHFFFAOYSA-N -1 0 320.286 -0.133 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001192471099 834384161 /nfs/dbraw/zinc/38/41/61/834384161.db2.gz BGOQBJDBQHDUFG-MNOVXSKESA-N -1 0 324.385 -0.542 20 0 DBADRM COc1nc(-c2cnn(CC(=O)[O-])c2)nc(N2CCOCC2)n1 ZINC001242181926 834402408 /nfs/dbraw/zinc/40/24/08/834402408.db2.gz OFGBYBMLASNYHI-UHFFFAOYSA-N -1 0 320.309 -0.335 20 0 DBADRM O=C([O-])CCOCCOCCOCCn1cc(CCO)nn1 ZINC001246057248 834414908 /nfs/dbraw/zinc/41/49/08/834414908.db2.gz LSCFXOJGHVDAEX-UHFFFAOYSA-N -1 0 317.342 -0.663 20 0 DBADRM O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1cc(F)c([O-])cc1F ZINC001192875536 834433508 /nfs/dbraw/zinc/43/35/08/834433508.db2.gz BUNGUWLWPBGXHU-YYHYXLOLSA-N -1 0 303.261 -0.497 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1nccnc1C(N)=O ZINC001193017419 834453582 /nfs/dbraw/zinc/45/35/82/834453582.db2.gz YYEAVMJFQCDFNS-UHFFFAOYSA-N -1 0 316.339 -0.341 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1c(O)nc[nH]c1=O ZINC001193024602 834454528 /nfs/dbraw/zinc/45/45/28/834454528.db2.gz MZSNYHDSLVCWMM-UHFFFAOYSA-N -1 0 305.312 -0.029 20 0 DBADRM O=C(NCc1nnn[n-]1)c1nnn(-c2ccccc2Cl)n1 ZINC001193052547 834458111 /nfs/dbraw/zinc/45/81/11/834458111.db2.gz FIKVCYDGSKJXHG-UHFFFAOYSA-N -1 0 305.689 -0.241 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]C1(C(=O)OC)COC1 ZINC001193075999 834459583 /nfs/dbraw/zinc/45/95/83/834459583.db2.gz ZMVKFRPYLVJAKK-UHFFFAOYSA-N -1 0 309.340 -0.811 20 0 DBADRM O=C(NC(CO)(CO)CO)c1cc(Cl)nc(Cl)c1[O-] ZINC001193093762 834462222 /nfs/dbraw/zinc/46/22/22/834462222.db2.gz LPFWFHQIKIWYTQ-UHFFFAOYSA-N -1 0 311.121 -0.461 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cnc(C)[nH]c1=O ZINC001193091288 834462274 /nfs/dbraw/zinc/46/22/74/834462274.db2.gz BNTAFXYAOWLISI-MRVPVSSYSA-N -1 0 303.340 -0.355 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N1C[C@@H](c2ccccc2)CS1(=O)=O ZINC001250404194 834479154 /nfs/dbraw/zinc/47/91/54/834479154.db2.gz VAPDCXIHEFNWQJ-GHMZBOCLSA-N -1 0 313.331 -0.222 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)C[C@H]1CCCO1 ZINC001193286265 834481428 /nfs/dbraw/zinc/48/14/28/834481428.db2.gz QBDFUNKJMSVKPT-BDAKNGLRSA-N -1 0 309.340 -0.509 20 0 DBADRM Cn1[n-]nnc1=NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001251263865 834496957 /nfs/dbraw/zinc/49/69/57/834496957.db2.gz RZFFAVNGJMGXHS-CYBMUJFWSA-N -1 0 312.374 -0.194 20 0 DBADRM CO[N-]C(=O)CNC(=O)N(C)Cc1ncnn1CC(F)F ZINC001251349388 834497785 /nfs/dbraw/zinc/49/77/85/834497785.db2.gz GARGSNTXAIAMCK-UHFFFAOYSA-N -1 0 306.273 -0.638 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001251349886 834498379 /nfs/dbraw/zinc/49/83/79/834498379.db2.gz JTKDPSUCNNWWJN-VIFPVBQESA-N -1 0 316.358 -0.027 20 0 DBADRM CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)c3cc(=O)[nH][n-]3)C[C@H]21 ZINC001193465911 834498491 /nfs/dbraw/zinc/49/84/91/834498491.db2.gz MGRKOKNHPONFOQ-WCABBAIRSA-N -1 0 308.338 -0.272 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC001251775350 834504912 /nfs/dbraw/zinc/50/49/12/834504912.db2.gz RFVDSIYKWLFOFH-UHFFFAOYSA-N -1 0 315.293 -0.819 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)NCc2nnn[n-]2)ccc1F ZINC001251995426 834515560 /nfs/dbraw/zinc/51/55/60/834515560.db2.gz KJXLAIXUXFADFC-UHFFFAOYSA-N -1 0 322.256 -0.620 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)C(F)(F)F ZINC001252386167 834527797 /nfs/dbraw/zinc/52/77/97/834527797.db2.gz NZUUMHCNLLWBKT-WHFBIAKZSA-N -1 0 306.262 -0.508 20 0 DBADRM CC(=O)c1nc(C(=O)n2[n-]c3ccnc(=O)c-3c2N)cn1C ZINC001193840671 834537358 /nfs/dbraw/zinc/53/73/58/834537358.db2.gz FEGTWFZKJBICIW-UHFFFAOYSA-N -1 0 300.278 -0.117 20 0 DBADRM COC(=O)[C@H](O)CNc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001252433596 834539032 /nfs/dbraw/zinc/53/90/32/834539032.db2.gz LWLNOTSQZXGNKT-MRVPVSSYSA-N -1 0 300.292 -0.936 20 0 DBADRM CCCCOC[C@@H](O)CN[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001252528162 834545415 /nfs/dbraw/zinc/54/54/15/834545415.db2.gz OIIMJFRZPKUAMG-GUBZILKMSA-N -1 0 310.372 -0.844 20 0 DBADRM O=C(Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21)c1cc(CO)ccn1 ZINC001193933733 834546249 /nfs/dbraw/zinc/54/62/49/834546249.db2.gz VCUONYLSWBKYLT-UHFFFAOYSA-N -1 0 302.250 -0.145 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1nc(C)c(C)[nH]c1=O ZINC001193975319 834553367 /nfs/dbraw/zinc/55/33/67/834553367.db2.gz IBKAQFNDGGZYLD-QMMMGPOBSA-N -1 0 311.294 -0.477 20 0 DBADRM C[C@H]1[C@H](NC[C@@](C)(O)c2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001253117384 834561670 /nfs/dbraw/zinc/56/16/70/834561670.db2.gz TYORKBKLTAAKHL-XHVZSJERSA-N -1 0 314.363 -0.114 20 0 DBADRM C[C@](O)(CNCS(=O)(=O)[O-])C(=O)OCc1ccccc1 ZINC001253656533 834573671 /nfs/dbraw/zinc/57/36/71/834573671.db2.gz OUSQHDMTVWCPLI-LBPRGKRZSA-N -1 0 303.336 -0.084 20 0 DBADRM Cn1[n-]c(C(=O)N2CCN(c3ncc(O)cn3)CC2)cc1=O ZINC001194200637 834575965 /nfs/dbraw/zinc/57/59/65/834575965.db2.gz RKNWMDSKWKLYHJ-UHFFFAOYSA-N -1 0 304.310 -0.416 20 0 DBADRM Cn1[n-]c(C(=O)NCc2ccc(S(C)(=O)=O)cn2)cc1=O ZINC001194202513 834576030 /nfs/dbraw/zinc/57/60/30/834576030.db2.gz LAIHEOUOYZPXOP-UHFFFAOYSA-N -1 0 310.335 -0.146 20 0 DBADRM COc1ccc(C(=O)NCS(=O)(=O)[O-])cc1S(C)(=O)=O ZINC001194247537 834580070 /nfs/dbraw/zinc/58/00/70/834580070.db2.gz TWSVKUFKJGZVFX-UHFFFAOYSA-N -1 0 323.348 -0.326 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(=O)[N-]OC(C)(C)C)cn1C ZINC001253799150 834581145 /nfs/dbraw/zinc/58/11/45/834581145.db2.gz FUGREGUGSJQBKG-UHFFFAOYSA-N -1 0 304.372 -0.147 20 0 DBADRM COC(=O)c1cc(C(=O)N=c2ncnc3[nH][nH]c(C)c2-3)n[n-]1 ZINC001194278649 834583220 /nfs/dbraw/zinc/58/32/20/834583220.db2.gz HATDHJZSRMCYOK-UHFFFAOYSA-N -1 0 301.266 -0.203 20 0 DBADRM COC(=O)CCc1cn(CCOCCOCCC(=O)[O-])nn1 ZINC001254089323 834586999 /nfs/dbraw/zinc/58/69/99/834586999.db2.gz WXXIBRDSQQFIQV-UHFFFAOYSA-N -1 0 315.326 -0.108 20 0 DBADRM COc1cnc(-c2cn(CCOCCOCC(=O)[O-])nn2)cn1 ZINC001254090574 834587092 /nfs/dbraw/zinc/58/70/92/834587092.db2.gz RAZKEPJUOSXAKZ-UHFFFAOYSA-N -1 0 323.309 -0.139 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2ccnc3ncnn32)cc1C(N)=O ZINC001254656082 834601524 /nfs/dbraw/zinc/60/15/24/834601524.db2.gz WHVAYCWOHFWQJB-UHFFFAOYSA-N -1 0 321.322 -0.638 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1ccc(N2CCOCC2)cc1F ZINC001194508100 834607042 /nfs/dbraw/zinc/60/70/42/834607042.db2.gz DHUKUSBKVHGYHP-GFCCVEGCSA-N -1 0 309.297 -0.178 20 0 DBADRM COCCS(=O)(=O)c1ccc(NC(=O)C(=O)[N-]OC)cc1 ZINC001255531369 834612698 /nfs/dbraw/zinc/61/26/98/834612698.db2.gz NETFICDGXCOGHH-UHFFFAOYSA-N -1 0 316.335 -0.277 20 0 DBADRM COCCn1cncc1C(=O)n1[n-]c2ccnc(=O)c-2c1N ZINC001194657992 834616606 /nfs/dbraw/zinc/61/66/06/834616606.db2.gz HLHUAIUAJXAYCF-UHFFFAOYSA-N -1 0 302.294 -0.210 20 0 DBADRM O=C(c1ccc2nccn2c1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001256486143 834629901 /nfs/dbraw/zinc/62/99/01/834629901.db2.gz MDQBTNHFSOQMLZ-UHFFFAOYSA-N -1 0 313.321 -0.029 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001256639470 834632184 /nfs/dbraw/zinc/63/21/84/834632184.db2.gz SWUKYDAOAXRKJA-MRVPVSSYSA-N -1 0 313.325 -0.104 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)C2CCC(=O)CC2)CCOC1 ZINC001194829885 834636521 /nfs/dbraw/zinc/63/65/21/834636521.db2.gz GNMCXEIBZVRNOT-GFCCVEGCSA-N -1 0 305.352 -0.250 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H](C)c1nnc2n1CCC2 ZINC001256956324 834639484 /nfs/dbraw/zinc/63/94/84/834639484.db2.gz RYRTVOPYISGKHL-SECBINFHSA-N -1 0 311.342 -0.514 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H](C)c1nnc2n1CCC2 ZINC001256956420 834639533 /nfs/dbraw/zinc/63/95/33/834639533.db2.gz USNBFVVIEMMIQT-QMMMGPOBSA-N -1 0 313.383 -0.188 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC1CCN(S(C)(=O)=O)CC1 ZINC001257224462 834644987 /nfs/dbraw/zinc/64/49/87/834644987.db2.gz HNVSVCBMAKTSPH-JTQLQIEISA-N -1 0 322.383 -0.594 20 0 DBADRM Cn1nnnc1NC(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC001194951235 834645034 /nfs/dbraw/zinc/64/50/34/834645034.db2.gz ZRPMCURXYUINFQ-UHFFFAOYSA-N -1 0 314.302 -0.027 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](NCS(=O)(=O)[O-])C[C@H]1C(=O)OC ZINC001257720999 834661512 /nfs/dbraw/zinc/66/15/12/834661512.db2.gz OOWKVMBNAHBCEP-IWSPIJDZSA-N -1 0 309.340 -0.448 20 0 DBADRM O=C(CNC(=O)C(=O)[N-]OC1CCOCC1)N1CCCCC1 ZINC001258083174 834670577 /nfs/dbraw/zinc/67/05/77/834670577.db2.gz NEUNODBKBGXZHQ-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCOCCCO ZINC001258098276 834670676 /nfs/dbraw/zinc/67/06/76/834670676.db2.gz QMDAOHCYEUQQJA-UHFFFAOYSA-N -1 0 300.277 -0.041 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1cn(Cc2c(F)cccc2F)nn1 ZINC001195388200 834681749 /nfs/dbraw/zinc/68/17/49/834681749.db2.gz BVSAMELJGGKFPN-LLVKDONJSA-N -1 0 323.259 -0.236 20 0 DBADRM CC(C)(C)[S@@](=O)CCNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001258407144 834683239 /nfs/dbraw/zinc/68/32/39/834683239.db2.gz KIYHIBPVGRRKJJ-CWKPULSASA-N -1 0 320.411 -0.266 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CCC(=O)NC1=O ZINC001258452624 834684169 /nfs/dbraw/zinc/68/41/69/834684169.db2.gz IWEQFBTVFPTGAU-LURJTMIESA-N -1 0 320.758 -0.535 20 0 DBADRM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001195434342 834685767 /nfs/dbraw/zinc/68/57/67/834685767.db2.gz QNATVIQFTNKDFW-NQMVMOMDSA-N -1 0 301.322 -0.834 20 0 DBADRM COC(=O)c1nsnc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC001258994398 834690052 /nfs/dbraw/zinc/69/00/52/834690052.db2.gz WJWWXRQGCITJFG-UHFFFAOYSA-N -1 0 303.325 -0.141 20 0 DBADRM CCOC(=O)NC(=S)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001195500629 834692584 /nfs/dbraw/zinc/69/25/84/834692584.db2.gz JBTILACRMDJKNX-WHFBIAKZSA-N -1 0 311.341 -0.991 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cc(C(N)=O)ccc1OC ZINC001259026115 834695650 /nfs/dbraw/zinc/69/56/50/834695650.db2.gz IOWOWEALEOECHG-UHFFFAOYSA-N -1 0 302.308 -0.291 20 0 DBADRM COC(=O)CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)[C@@H](C)O ZINC001259030719 834697391 /nfs/dbraw/zinc/69/73/91/834697391.db2.gz MFYZUGYRGPOFCL-APPZFPTMSA-N -1 0 311.356 -0.830 20 0 DBADRM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC(=O)OC)c1ccccn1 ZINC001259031426 834697563 /nfs/dbraw/zinc/69/75/63/834697563.db2.gz MYEVOIDDJMOTSJ-NSHDSACASA-N -1 0 316.335 -0.222 20 0 DBADRM O=C1CO[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2F)CN1 ZINC001259071517 834698662 /nfs/dbraw/zinc/69/86/62/834698662.db2.gz AJEXFOJLRKOULG-SSDOTTSWSA-N -1 0 306.290 -0.242 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2nccnc2N2CCOCC2)cn1 ZINC001259820257 834707496 /nfs/dbraw/zinc/70/74/96/834707496.db2.gz ICRKLWGSFYQSSB-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM CC(C)(C)OC(=O)Nc1cnc(C(=O)N[C@@H]2CO[N-]C2=O)cn1 ZINC001195636328 834710800 /nfs/dbraw/zinc/71/08/00/834710800.db2.gz CMJPNESMNSZPCI-MRVPVSSYSA-N -1 0 323.309 -0.017 20 0 DBADRM CCS(=O)(=O)c1cnc(C[N-]S(=O)(=O)C(F)F)nc1 ZINC001259962732 834718243 /nfs/dbraw/zinc/71/82/43/834718243.db2.gz RUXMSRZMJFDLOB-UHFFFAOYSA-N -1 0 315.323 -0.088 20 0 DBADRM COCCS(=O)(=O)Nc1ncc(Br)[nH]c1=O ZINC001259975277 834720201 /nfs/dbraw/zinc/72/02/01/834720201.db2.gz JETTUWVIPBWYIO-UHFFFAOYSA-N -1 0 312.145 -0.080 20 0 DBADRM CCOC(=O)C(=CNS(=O)(=O)CCOC)C(=O)OCC ZINC001259973650 834720695 /nfs/dbraw/zinc/72/06/95/834720695.db2.gz DJCVXCLHIPAEQH-UHFFFAOYSA-N -1 0 309.340 -0.438 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)cn1 ZINC001195739372 834721619 /nfs/dbraw/zinc/72/16/19/834721619.db2.gz XQDYCLULAOVLLX-MRVPVSSYSA-N -1 0 303.321 -0.322 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cnn(C)c1C(N)=O ZINC001260105418 834726008 /nfs/dbraw/zinc/72/60/08/834726008.db2.gz WMKAXTHTGVEJAY-UHFFFAOYSA-N -1 0 312.355 -0.330 20 0 DBADRM COc1cnc(C(=O)NC(=N)SCCS(=O)(=O)[O-])o1 ZINC001195803883 834726513 /nfs/dbraw/zinc/72/65/13/834726513.db2.gz XDSUUIAZSPCRKL-UHFFFAOYSA-N -1 0 309.325 -0.031 20 0 DBADRM Cn1cnc([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)n1 ZINC001260166306 834727977 /nfs/dbraw/zinc/72/79/77/834727977.db2.gz SWBRMXBHEJVDJI-UHFFFAOYSA-N -1 0 314.718 -0.293 20 0 DBADRM O=S(=O)([N-]CC1COC1)c1nc2nc(Cl)ccn2n1 ZINC001260166831 834729396 /nfs/dbraw/zinc/72/93/96/834729396.db2.gz KFOLDVSOEZIOBH-UHFFFAOYSA-N -1 0 303.731 -0.298 20 0 DBADRM O=S(=O)([N-]CC1(O)CCC1)c1nc2nc(Cl)ccn2n1 ZINC001260179346 834730151 /nfs/dbraw/zinc/73/01/51/834730151.db2.gz IOEWJESUBLMDTL-UHFFFAOYSA-N -1 0 317.758 -0.029 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)NCCN2CCNC2=O)c1 ZINC001260183757 834730226 /nfs/dbraw/zinc/73/02/26/834730226.db2.gz WEDLPECSDWQMHU-UHFFFAOYSA-N -1 0 313.335 -0.312 20 0 DBADRM O=C1C[C@@H]([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)CO1 ZINC001260179289 834730363 /nfs/dbraw/zinc/73/03/63/834730363.db2.gz GXXOFZUKUDHWCQ-RXMQYKEDSA-N -1 0 317.714 -0.629 20 0 DBADRM CNC(=O)CC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260179068 834730427 /nfs/dbraw/zinc/73/04/27/834730427.db2.gz AJQGUPMEVIZLDQ-UHFFFAOYSA-N -1 0 318.746 -0.808 20 0 DBADRM NC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC001260187002 834730481 /nfs/dbraw/zinc/73/04/81/834730481.db2.gz OEKPCBMLZNFHBQ-UHFFFAOYSA-N -1 0 313.335 -0.230 20 0 DBADRM CC(=O)OCC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260181840 834730553 /nfs/dbraw/zinc/73/05/53/834730553.db2.gz MYNWCBUXMACCBV-UHFFFAOYSA-N -1 0 319.730 -0.381 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2CC[C@H](CO)[C@@H](O)C2)c1 ZINC001260184998 834730701 /nfs/dbraw/zinc/73/07/01/834730701.db2.gz MKQAZOIKTLMCFW-PWSUYJOCSA-N -1 0 315.347 -0.251 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC001260223797 834731559 /nfs/dbraw/zinc/73/15/59/834731559.db2.gz ZQOGMXHVGSASGT-JQWIXIFHSA-N -1 0 315.347 -0.251 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@H](CO)[C@H](O)C2)cc1 ZINC001260223800 834731852 /nfs/dbraw/zinc/73/18/52/834731852.db2.gz ZQOGMXHVGSASGT-ZYHUDNBSSA-N -1 0 315.347 -0.251 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2CO)ccc1O ZINC001260404423 834733299 /nfs/dbraw/zinc/73/32/99/834733299.db2.gz YDTNVIAUGREKBL-HTQZYQBOSA-N -1 0 317.319 -0.793 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CNC(=O)O2)ccc1O ZINC001260405244 834733757 /nfs/dbraw/zinc/73/37/57/834733757.db2.gz AVTRNZFXRKKQHQ-ZCFIWIBFSA-N -1 0 316.291 -0.523 20 0 DBADRM Cn1ncc2c1ncnc2[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260583340 834736403 /nfs/dbraw/zinc/73/64/03/834736403.db2.gz AEXOOYCJYYKUEM-UHFFFAOYSA-N -1 0 305.341 -0.893 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1cnn(C2CCOCC2)c1 ZINC001260583909 834736412 /nfs/dbraw/zinc/73/64/12/834736412.db2.gz QCYIBNGFKSUIOT-UHFFFAOYSA-N -1 0 323.396 -0.022 20 0 DBADRM COc1ccc([N-]S(=O)(=O)CS(C)(=O)=O)c(OC)n1 ZINC001260583363 834736550 /nfs/dbraw/zinc/73/65/50/834736550.db2.gz AYHWFBRNNBVFLU-UHFFFAOYSA-N -1 0 310.353 -0.157 20 0 DBADRM CCOC(=O)c1cnc([N-]S(=O)(=O)CS(C)(=O)=O)cn1 ZINC001260583528 834736803 /nfs/dbraw/zinc/73/68/03/834736803.db2.gz GAGPKCPXFTZNOM-UHFFFAOYSA-N -1 0 323.352 -0.603 20 0 DBADRM COC(=O)c1cccc([N-]S(=O)(=O)CS(C)(=O)=O)n1 ZINC001260584293 834736969 /nfs/dbraw/zinc/73/69/69/834736969.db2.gz WVWJAGPCVQUDRQ-UHFFFAOYSA-N -1 0 308.337 -0.388 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1nonc1C(=O)OCC ZINC001195934546 834737326 /nfs/dbraw/zinc/73/73/26/834737326.db2.gz VBIMXCYPDAZQCT-UHFFFAOYSA-N -1 0 307.284 -0.449 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1nccnc1C(=O)OC ZINC001195933611 834737537 /nfs/dbraw/zinc/73/75/37/834737537.db2.gz DCOIZSMVDHGETE-UHFFFAOYSA-N -1 0 303.296 -0.432 20 0 DBADRM COc1cc(OC)c([N-]S(=O)(=O)CS(C)(=O)=O)cn1 ZINC001260585200 834737532 /nfs/dbraw/zinc/73/75/32/834737532.db2.gz SHEHMQCIVYEGNN-UHFFFAOYSA-N -1 0 310.353 -0.157 20 0 DBADRM CC(=O)Nc1cc([N-]S(=O)(=O)CS(C)(=O)=O)ccn1 ZINC001260584457 834737915 /nfs/dbraw/zinc/73/79/15/834737915.db2.gz HJKSUBNBFCQARP-UHFFFAOYSA-N -1 0 307.353 -0.216 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1nccnc1C(=O)OCC ZINC001195941527 834738322 /nfs/dbraw/zinc/73/83/22/834738322.db2.gz FFZJTHLGMWDIRR-UHFFFAOYSA-N -1 0 317.323 -0.042 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)Nc1cccc(NC(N)=O)c1 ZINC001260593138 834740284 /nfs/dbraw/zinc/74/02/84/834740284.db2.gz YHINSETVRJNJJL-UHFFFAOYSA-N -1 0 307.353 -0.079 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)Nc1cccc2c1CC(=O)NC2 ZINC001260593364 834740552 /nfs/dbraw/zinc/74/05/52/834740552.db2.gz JWUMPCSQJURRAB-UHFFFAOYSA-N -1 0 318.376 -0.397 20 0 DBADRM Cc1ccc([N-]S(=O)(=O)CS(C)(=O)=O)c(C(N)=O)c1 ZINC001260591923 834740631 /nfs/dbraw/zinc/74/06/31/834740631.db2.gz SVXWQXXSYDEWLF-UHFFFAOYSA-N -1 0 306.365 -0.162 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1cc(F)ccc1C(N)=O ZINC001260591955 834740832 /nfs/dbraw/zinc/74/08/32/834740832.db2.gz VHDMSMPZWCWNPE-UHFFFAOYSA-N -1 0 310.328 -0.332 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccncc1 ZINC001195995527 834744555 /nfs/dbraw/zinc/74/45/55/834744555.db2.gz WURZUZBFAJURBH-LLVKDONJSA-N -1 0 316.335 -0.222 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]CC(F)(F)C(=O)OCC ZINC001195992249 834744848 /nfs/dbraw/zinc/74/48/48/834744848.db2.gz ZBDBODZXEQRWBB-UHFFFAOYSA-N -1 0 303.283 -0.333 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccncc1 ZINC001195995528 834744888 /nfs/dbraw/zinc/74/48/88/834744888.db2.gz WURZUZBFAJURBH-NSHDSACASA-N -1 0 316.335 -0.222 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NC[C@@H]2CNC(=O)O2)s1 ZINC001260711816 834745613 /nfs/dbraw/zinc/74/56/13/834745613.db2.gz XKAVULWGUFOLPJ-LURJTMIESA-N -1 0 320.352 -0.512 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@H]2COC(=O)C2)s1 ZINC001260710015 834746252 /nfs/dbraw/zinc/74/62/52/834746252.db2.gz VJDGFHFPHJTZFT-ZCFIWIBFSA-N -1 0 305.337 -0.305 20 0 DBADRM CN(C)c1nccc(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)n1 ZINC001261142851 834757978 /nfs/dbraw/zinc/75/79/78/834757978.db2.gz MJZBHMMOAKKIAH-SNVBAGLBSA-N -1 0 323.353 -0.757 20 0 DBADRM N=C(NC(=O)c1cncc(=O)[nH]1)SCCS(=O)(=O)[O-] ZINC001196163351 834761131 /nfs/dbraw/zinc/76/11/31/834761131.db2.gz AMFVFPDNIUKJJE-UHFFFAOYSA-N -1 0 306.325 -0.945 20 0 DBADRM COC[C@H](CNC(=O)C(=O)[N-]OCCC(F)(F)F)OC ZINC001261180765 834764558 /nfs/dbraw/zinc/76/45/58/834764558.db2.gz KGTCPGGEQHDLTK-ZETCQYMHSA-N -1 0 302.249 -0.236 20 0 DBADRM COC(=O)CCCCCS(=O)(=O)NCc1nc(=O)o[n-]1 ZINC001261200883 834768841 /nfs/dbraw/zinc/76/88/41/834768841.db2.gz MNJKJFIEFXWPHC-UHFFFAOYSA-N -1 0 307.328 -0.484 20 0 DBADRM CS(=O)(=O)c1cccc(C(=O)NC2C(=O)N=CN=C2[O-])n1 ZINC001196404617 834783616 /nfs/dbraw/zinc/78/36/16/834783616.db2.gz SKCPDJRSEUNXMT-UHFFFAOYSA-N -1 0 310.291 -0.061 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC001261481020 834792088 /nfs/dbraw/zinc/79/20/88/834792088.db2.gz IOMAAYWXWKAAGN-SFYZADRCSA-N -1 0 301.324 -0.098 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NC2C(=O)N=CN=C2[O-])nc1 ZINC001196704475 834797980 /nfs/dbraw/zinc/79/79/80/834797980.db2.gz SLTVNDHBRLTLJH-UHFFFAOYSA-N -1 0 310.291 -0.061 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCc2sccc2C1 ZINC001261543177 834805214 /nfs/dbraw/zinc/80/52/14/834805214.db2.gz GLYOEGFEQQCWDE-UHFFFAOYSA-N -1 0 311.363 -0.183 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC001261543863 834806270 /nfs/dbraw/zinc/80/62/70/834806270.db2.gz ZBBZDTPWJQLOCI-LLVKDONJSA-N -1 0 323.353 -0.770 20 0 DBADRM CCOCCN1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC001261555141 834807411 /nfs/dbraw/zinc/80/74/11/834807411.db2.gz XJSJJGZKUMNCMD-LLVKDONJSA-N -1 0 315.370 -0.996 20 0 DBADRM COC[C@H](CNC(=O)C(=O)Nc1cccnc1C(=O)[O-])OC ZINC001261630486 834820386 /nfs/dbraw/zinc/82/03/86/834820386.db2.gz NTMMDQCBYRSNEY-QMMMGPOBSA-N -1 0 311.294 -0.504 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)Nc1cccnc1C(=O)[O-])OC ZINC001261630485 834820447 /nfs/dbraw/zinc/82/04/47/834820447.db2.gz NTMMDQCBYRSNEY-MRVPVSSYSA-N -1 0 311.294 -0.504 20 0 DBADRM COCCCn1nc(C(=O)N(CC(=O)[O-])C2CC2)ccc1=O ZINC001261631503 834820498 /nfs/dbraw/zinc/82/04/98/834820498.db2.gz VMZLEZKRGGYOBR-UHFFFAOYSA-N -1 0 309.322 -0.031 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001197226633 834848065 /nfs/dbraw/zinc/84/80/65/834848065.db2.gz GAWQVLUWHZFSGS-NSHDSACASA-N -1 0 324.385 -0.541 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2nccn2C)CC[C@@H]1C(=O)[O-] ZINC001261837648 834861816 /nfs/dbraw/zinc/86/18/16/834861816.db2.gz JTQBNBGRGAJBKN-MNOVXSKESA-N -1 0 322.365 -0.052 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)CC2)CC[C@H]1C(=O)[O-] ZINC001261837518 834862120 /nfs/dbraw/zinc/86/21/20/834862120.db2.gz GKPCBOKMEPJQND-DGCLKSJQSA-N -1 0 323.393 -0.138 20 0 DBADRM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccnc1)[C@@H](C)O ZINC001197471553 834870621 /nfs/dbraw/zinc/87/06/21/834870621.db2.gz DRLIZQJGYJQXRW-KOLCDFICSA-N -1 0 302.352 -0.187 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2cccnc2)CCOC1 ZINC001197494713 834875404 /nfs/dbraw/zinc/87/54/04/834875404.db2.gz IRVXMXACXGZTHD-GFCCVEGCSA-N -1 0 300.336 -0.167 20 0 DBADRM O=S(=O)(Cc1c(F)cccc1F)[N-]C(CO)(CO)CO ZINC001197616365 834883589 /nfs/dbraw/zinc/88/35/89/834883589.db2.gz PXGMIQMQUZDHRF-UHFFFAOYSA-N -1 0 311.306 -0.900 20 0 DBADRM C[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)c1nnnn1C1CC1 ZINC001262023411 834896503 /nfs/dbraw/zinc/89/65/03/834896503.db2.gz WAMRQHNNDGEYCB-SSDOTTSWSA-N -1 0 314.309 -0.165 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCO[C@H](C(F)F)C1 ZINC001262056407 834898886 /nfs/dbraw/zinc/89/88/86/834898886.db2.gz NYGFXWJESYQJRA-RNJXMRFFSA-N -1 0 306.265 -0.542 20 0 DBADRM NC(=O)CNC(=O)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001197981250 834916823 /nfs/dbraw/zinc/91/68/23/834916823.db2.gz KAHUQIIRFMEGSM-UHFFFAOYSA-N -1 0 323.696 -0.798 20 0 DBADRM CN1CCN(c2cnccc2C(=O)NCc2n[nH]c(=O)[n-]2)CC1 ZINC001198158278 834929972 /nfs/dbraw/zinc/92/99/72/834929972.db2.gz DAOJTOSZPXLYGB-UHFFFAOYSA-N -1 0 317.353 -0.413 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001262312858 834932411 /nfs/dbraw/zinc/93/24/11/834932411.db2.gz OZGWXBMYBUXWPK-USWWRNFRSA-N -1 0 314.338 -0.867 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1cc(NCC2CCOCC2)ccn1 ZINC001198521578 834950692 /nfs/dbraw/zinc/95/06/92/834950692.db2.gz FLLCQRPXXCXWEN-UHFFFAOYSA-N -1 0 317.353 -0.460 20 0 DBADRM Cn1c([O-])nc(NC(=O)c2cnc3ccccn3c2=O)cc1=O ZINC001198548013 834952358 /nfs/dbraw/zinc/95/23/58/834952358.db2.gz MZPSVHKWGKBMSQ-UHFFFAOYSA-N -1 0 313.273 -0.254 20 0 DBADRM C=CS(=O)(=O)N1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001198600238 834954968 /nfs/dbraw/zinc/95/49/68/834954968.db2.gz CPDKAKQTPDNTRD-UHFFFAOYSA-N -1 0 312.413 -0.255 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1cccc(=O)n1CC(F)(F)F ZINC001198725191 834964353 /nfs/dbraw/zinc/96/43/53/834964353.db2.gz PQPIQBZMMDYLSR-UHFFFAOYSA-N -1 0 302.216 -0.392 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N[C@]1(CO)CCOC1 ZINC001198807145 834969259 /nfs/dbraw/zinc/96/92/59/834969259.db2.gz DHCFOHUFGGTJEP-LBPRGKRZSA-N -1 0 301.320 -0.186 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCC(=O)NC1=O ZINC001198799084 834969511 /nfs/dbraw/zinc/96/95/11/834969511.db2.gz NECOJWCPXNZSCD-MRVPVSSYSA-N -1 0 312.303 -0.532 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CC(=O)NC1=O ZINC001198809058 834969573 /nfs/dbraw/zinc/96/95/73/834969573.db2.gz BMKXWFSTKUUBBC-ZETCQYMHSA-N -1 0 312.303 -0.674 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CO[N-]C2=O)nn1Cc1ccncc1 ZINC001199102892 834986739 /nfs/dbraw/zinc/98/67/39/834986739.db2.gz XPDGWVDFRVKWKK-GFCCVEGCSA-N -1 0 301.306 -0.205 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2cnn3c2NC[C@H](C)C3)C(=O)N1C ZINC001263866170 834992873 /nfs/dbraw/zinc/99/28/73/834992873.db2.gz FUIPHZFIKQXSRO-JGVFFNPUSA-N -1 0 306.326 -0.128 20 0 DBADRM COCCOc1ncc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)cn1 ZINC001199254887 835003696 /nfs/dbraw/zinc/00/36/96/835003696.db2.gz ZDDRIVRTDUBXSS-SECBINFHSA-N -1 0 312.307 -0.459 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1cc(NCC2CCOCC2)ncn1 ZINC001199441111 835022821 /nfs/dbraw/zinc/02/28/21/835022821.db2.gz SOIJKRSFSPWETO-LLVKDONJSA-N -1 0 321.337 -0.525 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1ccc(=O)n(CC(F)(F)F)c1 ZINC001199501259 835029431 /nfs/dbraw/zinc/02/94/31/835029431.db2.gz MVROEMNQRMAHRG-SSDOTTSWSA-N -1 0 305.212 -0.430 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1cc(OC2CCOCC2)ccn1 ZINC001199541724 835032460 /nfs/dbraw/zinc/03/24/60/835032460.db2.gz QLYWBHOPUUBHGW-GFCCVEGCSA-N -1 0 307.306 -0.201 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1cnn(CC2CCOCC2)c1 ZINC001199569193 835034490 /nfs/dbraw/zinc/03/44/90/835034490.db2.gz QGPRESGDGIFNGA-UHFFFAOYSA-N -1 0 303.340 -0.115 20 0 DBADRM O=C(CCn1ccnn1)NCc1nc(CNCCF)cc(=O)[nH]1 ZINC001264581284 835035511 /nfs/dbraw/zinc/03/55/11/835035511.db2.gz DAGBCPYKSPSMMT-UHFFFAOYSA-N -1 0 323.332 -0.461 20 0 DBADRM CN(CCCNC(=O)c1cnc[nH]c1=O)Cc1n[nH]c(=O)[n-]1 ZINC001264999018 835067409 /nfs/dbraw/zinc/06/74/09/835067409.db2.gz HOHCXKLIONDQKQ-UHFFFAOYSA-N -1 0 307.314 -0.742 20 0 DBADRM COC(=O)CCO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001205059131 835333886 /nfs/dbraw/zinc/33/38/86/835333886.db2.gz OOYXNWNBOAQVEG-JTQLQIEISA-N -1 0 311.356 -0.845 20 0 DBADRM CCCN(CCNC(=O)C(=O)NCC1CC1)Cc1n[nH]c(=O)[n-]1 ZINC001266575300 835340895 /nfs/dbraw/zinc/34/08/95/835340895.db2.gz KQMPOLHHWXTZKU-UHFFFAOYSA-N -1 0 324.385 -0.635 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)[C@@H]1CCCNC1=O ZINC001266597087 835342847 /nfs/dbraw/zinc/34/28/47/835342847.db2.gz VBDIKMKCHGADLX-SNVBAGLBSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C[C@@](C)(O)C1CC1 ZINC001206884034 835422820 /nfs/dbraw/zinc/42/28/20/835422820.db2.gz WARVKPYJLZFXDL-XDMRBOTDSA-N -1 0 323.397 -0.002 20 0 DBADRM CO[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)C1CC1 ZINC001206925393 835437134 /nfs/dbraw/zinc/43/71/34/835437134.db2.gz AAOXRFMZDNYNQN-UISBYWKRSA-N -1 0 309.370 -0.128 20 0 DBADRM Cc1cc(CNCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)nn1C ZINC001267397451 835503156 /nfs/dbraw/zinc/50/31/56/835503156.db2.gz FFTDATRGSFYEDP-UHFFFAOYSA-N -1 0 321.341 -0.813 20 0 DBADRM O=C(CCn1cccn1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001268511458 835712448 /nfs/dbraw/zinc/71/24/48/835712448.db2.gz KWGPGFDMQLVLBJ-OWOJBTEDSA-N -1 0 305.342 -0.441 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNCc2nnnn2C)c1[O-] ZINC001268528921 835718473 /nfs/dbraw/zinc/71/84/73/835718473.db2.gz MVISLOWAZMWISM-ONEGZZNKSA-N -1 0 306.330 -0.977 20 0 DBADRM CCc1cc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)nn1C ZINC001268634774 835761795 /nfs/dbraw/zinc/76/17/95/835761795.db2.gz VAYMNXHECURJSW-PLNGDYQASA-N -1 0 319.369 -0.118 20 0 DBADRM C/C=C/C(=O)N1CCc2c([nH]nc2C(=O)N=c2nn[n-]n2C)C1 ZINC001268865629 835828832 /nfs/dbraw/zinc/82/88/32/835828832.db2.gz VGXAKMZKQMTESD-ONEGZZNKSA-N -1 0 316.325 -0.932 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)NCCn2cc(C(=O)[O-])nn2)CC1=O ZINC000321603915 970787912 /nfs/dbraw/zinc/78/79/12/970787912.db2.gz QHMKMVIPSMQGBJ-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1ccc(CNC(=O)CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000321890497 970821564 /nfs/dbraw/zinc/82/15/64/970821564.db2.gz RVLVCHHNGNNVAY-CYBMUJFWSA-N -1 0 319.361 -0.114 20 0 DBADRM CNC(=O)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000322519841 970897897 /nfs/dbraw/zinc/89/78/97/970897897.db2.gz LMJIMDQEQPJRJN-SSDOTTSWSA-N -1 0 303.340 -0.474 20 0 DBADRM Cn1nccc1[C@H](NS(=O)(=O)N1CCCOCC1)C(=O)[O-] ZINC001601034877 970917024 /nfs/dbraw/zinc/91/70/24/970917024.db2.gz AKUKXKGEGGALAV-JTQLQIEISA-N -1 0 318.355 -0.898 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)c(F)c1 ZINC000323035569 970960609 /nfs/dbraw/zinc/96/06/09/970960609.db2.gz FESNMFIQBNBCBF-BDAKNGLRSA-N -1 0 305.283 -0.438 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)N2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000323674062 971029016 /nfs/dbraw/zinc/02/90/16/971029016.db2.gz FYXSYJASKTZLJN-PHIMTYICSA-N -1 0 323.305 -0.930 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001573637656 947820407 /nfs/dbraw/zinc/82/04/07/947820407.db2.gz MIIIQSQHBFBKBT-OPRDCNLKSA-N -1 0 320.357 -0.361 20 0 DBADRM C[C@@H](C(=O)N1C[C@@H]2[C@H](O)CC[C@@H]2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573651711 947923342 /nfs/dbraw/zinc/92/33/42/947923342.db2.gz POXICKDGDKADCF-QCLAVDOMSA-N -1 0 318.341 -0.752 20 0 DBADRM C[C@@H](C(=O)NC(C)(C)c1ncon1)n1cnc(-c2nnn[n-]2)n1 ZINC001573654851 947973161 /nfs/dbraw/zinc/97/31/61/947973161.db2.gz UDZZFZWCHRCTAL-LURJTMIESA-N -1 0 318.301 -0.546 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCn2ccnc21)n1cnc(-c2nnn[n-]2)n1 ZINC001573673840 948115437 /nfs/dbraw/zinc/11/54/37/948115437.db2.gz LQSOEXGFLJIYGG-HTQZYQBOSA-N -1 0 314.313 -0.523 20 0 DBADRM C[C@H](C(=O)NCC[C@H](O)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001573708049 948441659 /nfs/dbraw/zinc/44/16/59/948441659.db2.gz QQRRMQSXVCYOOQ-APPZFPTMSA-N -1 0 306.330 -0.704 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)cn1)N1CCN(C(=O)C2CC2)C1 ZINC001363066712 948512278 /nfs/dbraw/zinc/51/22/78/948512278.db2.gz DENJVCYYAKCSOO-UHFFFAOYSA-N -1 0 313.321 -0.086 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@@H]1CC(=O)N(CCOC)C1)C(=O)[O-] ZINC000328525532 971490327 /nfs/dbraw/zinc/49/03/27/971490327.db2.gz JBEYOYQLUZNDCU-YGRLFVJLSA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001570918565 948573941 /nfs/dbraw/zinc/57/39/41/948573941.db2.gz HBNCJCZZVFGZRY-VHSXEESVSA-N -1 0 314.353 -0.039 20 0 DBADRM O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N[C@H]1CC12CC2 ZINC001570921105 948613408 /nfs/dbraw/zinc/61/34/08/948613408.db2.gz NZMBWKDCLOYJAJ-QMMMGPOBSA-N -1 0 317.309 -0.812 20 0 DBADRM CC(C)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001570921244 948617166 /nfs/dbraw/zinc/61/71/66/948617166.db2.gz SFCZEZGYNOGRBX-NXEZZACHSA-N -1 0 316.369 -0.007 20 0 DBADRM CC(C)OCc1noc(Cn2cncc(-c3nnn[n-]3)c2=O)n1 ZINC001570921606 948623715 /nfs/dbraw/zinc/62/37/15/948623715.db2.gz HWIZQLKGDAFQDT-UHFFFAOYSA-N -1 0 318.297 -0.220 20 0 DBADRM CCC(C)(C)CNC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001570921880 948630192 /nfs/dbraw/zinc/63/01/92/948630192.db2.gz BWSXEKSSULUPGO-UHFFFAOYSA-N -1 0 321.341 -0.319 20 0 DBADRM O=C(N[C@H](CO)[C@@H]1CCOC1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001570922049 948632785 /nfs/dbraw/zinc/63/27/85/948632785.db2.gz UFOGHBKTRQNFPF-MWLCHTKSSA-N -1 0 319.321 -0.301 20 0 DBADRM C[C@H](C(=O)Nc1ccn(CCF)n1)n1cnc(-c2nnn[n-]2)n1 ZINC001570922459 948642264 /nfs/dbraw/zinc/64/22/64/948642264.db2.gz JOCMDZPSVDTOIU-SSDOTTSWSA-N -1 0 320.292 -0.176 20 0 DBADRM O=C(NCC[C@H]1CCCO1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001570922562 948643879 /nfs/dbraw/zinc/64/38/79/948643879.db2.gz MECBFEQLFFEIEF-SECBINFHSA-N -1 0 321.345 -0.674 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)n1cnc(-c2nnn[n-]2)n1 ZINC001573741228 948652347 /nfs/dbraw/zinc/65/23/47/948652347.db2.gz ZVKPMAXGQOJPPI-UFMRAMJRSA-N -1 0 316.325 -0.689 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)co1 ZINC001570929898 948791986 /nfs/dbraw/zinc/79/19/86/948791986.db2.gz AURVDPLUNIOQQV-UHFFFAOYSA-N -1 0 323.294 -0.161 20 0 DBADRM CC[C@](COC)(NC(=O)c1cc(C(=O)[O-])nn1C)C(=O)OC ZINC001589558364 948800877 /nfs/dbraw/zinc/80/08/77/948800877.db2.gz QXIYENPQYZBOGU-CYBMUJFWSA-N -1 0 313.310 -0.184 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1)C(=O)NC ZINC001589561772 948823940 /nfs/dbraw/zinc/82/39/40/948823940.db2.gz GIYNCIMRUZBTAP-VIFPVBQESA-N -1 0 308.294 -0.641 20 0 DBADRM C[C@@H](Cn1ccnc1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037656966 948839446 /nfs/dbraw/zinc/83/94/46/948839446.db2.gz XMBFUBQCCBIGOQ-JTQLQIEISA-N -1 0 316.383 -0.097 20 0 DBADRM CC[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)[C@H](O)C(F)F ZINC001589564952 948851037 /nfs/dbraw/zinc/85/10/37/948851037.db2.gz MVIKHHHIZSCKKU-WEDXCCLWSA-N -1 0 322.308 -0.170 20 0 DBADRM CC[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)[C@@H](O)C(F)F ZINC001589564949 948851154 /nfs/dbraw/zinc/85/11/54/948851154.db2.gz MVIKHHHIZSCKKU-KHQFGBGNSA-N -1 0 322.308 -0.170 20 0 DBADRM NS(=O)(=O)Cc1ccc(NC(=O)COCC(=O)[O-])cc1 ZINC000041073182 948861988 /nfs/dbraw/zinc/86/19/88/948861988.db2.gz YZWSYIAFQXISFY-UHFFFAOYSA-N -1 0 302.308 -0.485 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC000342560214 971519159 /nfs/dbraw/zinc/51/91/59/971519159.db2.gz HPRTVTPOCFNOEJ-LLVKDONJSA-N -1 0 322.317 -0.134 20 0 DBADRM CC[C@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)[O-] ZINC001589578340 948986619 /nfs/dbraw/zinc/98/66/19/948986619.db2.gz YYVOJDKNLWPRDU-VIFPVBQESA-N -1 0 314.319 -0.110 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC=C[C@H]2CO)C1 ZINC001589584705 949031327 /nfs/dbraw/zinc/03/13/27/949031327.db2.gz UCTMVVKCAQLEMV-NHYWBVRUSA-N -1 0 310.350 -0.151 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000362514559 971535180 /nfs/dbraw/zinc/53/51/80/971535180.db2.gz ZFWSKXSYOXVKHQ-UHFFFAOYSA-N -1 0 307.310 -0.547 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)c1csnn1 ZINC001575254734 949212073 /nfs/dbraw/zinc/21/20/73/949212073.db2.gz XEHADPJMFOLMQZ-PHDIDXHHSA-N -1 0 320.342 -0.252 20 0 DBADRM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1csnn1 ZINC001575254736 949213727 /nfs/dbraw/zinc/21/37/27/949213727.db2.gz XEHADPJMFOLMQZ-WDSKDSINSA-N -1 0 320.342 -0.252 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H](CO)CN2CCOCC2)cc1 ZINC001595215489 949220647 /nfs/dbraw/zinc/22/06/47/949220647.db2.gz KBCWQSVYDFLXCF-CYBMUJFWSA-N -1 0 308.334 -0.192 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)c1nncn1C ZINC001575255201 949227688 /nfs/dbraw/zinc/22/76/88/949227688.db2.gz YLJXABJHHVLEDL-RNFRBKRXSA-N -1 0 317.317 -0.975 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@]23COC(=O)N2CCOC3)nc1 ZINC001595220753 949240528 /nfs/dbraw/zinc/24/05/28/949240528.db2.gz IPRCGLBKYQICRX-AWEZNQCLSA-N -1 0 321.289 -0.269 20 0 DBADRM C[C@@H]1CCC[C@]1(O)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001576153141 949276348 /nfs/dbraw/zinc/27/63/48/949276348.db2.gz KXCABUOKJZNNMY-UHLUBPPHSA-N -1 0 321.341 -0.371 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC000378659218 971569535 /nfs/dbraw/zinc/56/95/35/971569535.db2.gz FJUYXADYMOBWTB-NSHDSACASA-N -1 0 302.290 -0.066 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCn1ccccc1=O ZINC000378682123 971570435 /nfs/dbraw/zinc/57/04/35/971570435.db2.gz TWKOWTQFUJDCIN-NSHDSACASA-N -1 0 304.306 -0.226 20 0 DBADRM CCC1(CO)CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001589615438 949363093 /nfs/dbraw/zinc/36/30/93/949363093.db2.gz MWHPVZABAXOQNW-XYPYZODXSA-N -1 0 312.366 -0.023 20 0 DBADRM CC(C)(C)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001573803606 949448705 /nfs/dbraw/zinc/44/87/05/949448705.db2.gz SPAVBGYCPNIQEM-UHFFFAOYSA-N -1 0 307.314 -0.709 20 0 DBADRM CC[C@@H]1CN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C[C@H](C)[S@]1=O ZINC001589624910 949463505 /nfs/dbraw/zinc/46/35/05/949463505.db2.gz PGXPJSJJIFZNIT-YPQSHXNLSA-N -1 0 302.352 -0.026 20 0 DBADRM CC[C@@H]1CN([C@H]2CCN(CC(=O)[O-])C2=O)C[C@@H](C)S1(=O)=O ZINC001589626497 949481820 /nfs/dbraw/zinc/48/18/20/949481820.db2.gz KWKBHGWUTRUTRW-MXWKQRLJSA-N -1 0 318.395 -0.431 20 0 DBADRM C[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001575870343 949491096 /nfs/dbraw/zinc/49/10/96/949491096.db2.gz VBPKNTAIXNCQIJ-BDAKNGLRSA-N -1 0 324.366 -0.347 20 0 DBADRM O=C([O-])c1cc(NC(=O)CN2CCC(=O)NC2=O)ccc1O ZINC000215691912 949546625 /nfs/dbraw/zinc/54/66/25/949546625.db2.gz FOVFODZFYSXAHI-UHFFFAOYSA-N -1 0 307.262 -0.029 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1=O ZINC001598586804 1017323640 /nfs/dbraw/zinc/32/36/40/1017323640.db2.gz AYHVAJWPIKTKAU-ZETCQYMHSA-N -1 0 302.308 -0.123 20 0 DBADRM CCC[C@]1(C)C(=O)NCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001589635176 949608507 /nfs/dbraw/zinc/60/85/07/949608507.db2.gz FCJJQOMYLQGDQU-CYBMUJFWSA-N -1 0 309.326 -0.507 20 0 DBADRM CC(C)NC(=O)[C@@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000228925307 949638065 /nfs/dbraw/zinc/63/80/65/949638065.db2.gz MMIKEXAJOGOEMQ-SECBINFHSA-N -1 0 321.399 -0.470 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@@H](CO)O1 ZINC000229951186 949665281 /nfs/dbraw/zinc/66/52/81/949665281.db2.gz WPCHNBIEUBGZLH-ONGXEEELSA-N -1 0 322.383 -0.891 20 0 DBADRM Cn1ncc(C(=O)NCC(=O)NCC(=O)[O-])c1Br ZINC000379093177 971599078 /nfs/dbraw/zinc/59/90/78/971599078.db2.gz AUQHVOJMCYWMLC-UHFFFAOYSA-N -1 0 319.115 -0.887 20 0 DBADRM CC1(C(=O)N2CC[C@H](Nc3ccnc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575554326 949699095 /nfs/dbraw/zinc/69/90/95/949699095.db2.gz RTJSRNIGRABWHQ-VIFPVBQESA-N -1 0 314.353 -0.109 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCC[C@H]3CCNC(=O)[C@H]32)cn1 ZINC001595266797 949754713 /nfs/dbraw/zinc/75/47/13/949754713.db2.gz BTKYEXIMWOMTMD-KWQFWETISA-N -1 0 304.306 -0.085 20 0 DBADRM O=C([O-])c1cnc(C(=O)N[C@H](CO)Cc2ccncc2)cn1 ZINC001595267109 949761894 /nfs/dbraw/zinc/76/18/94/949761894.db2.gz ALJLTEJFFMFILS-JTQLQIEISA-N -1 0 302.290 -0.097 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCC(N3CN=NC3=O)CC2)cn1 ZINC001595267465 949767201 /nfs/dbraw/zinc/76/72/01/949767201.db2.gz NZLYNSSKDOBALV-UHFFFAOYSA-N -1 0 318.293 -0.051 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCN(c3nccnn3)CC2)cn1 ZINC001595267761 949773491 /nfs/dbraw/zinc/77/34/91/949773491.db2.gz KZGCENODNPPSAG-UHFFFAOYSA-N -1 0 315.293 -0.678 20 0 DBADRM O=C([O-])c1cnc(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)cn1 ZINC001595268378 949790675 /nfs/dbraw/zinc/79/06/75/949790675.db2.gz XTJJQOWKCGIHFP-QMMMGPOBSA-N -1 0 313.335 -0.271 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N(CCC(=O)OC)CC(=O)[O-] ZINC001589654462 949803299 /nfs/dbraw/zinc/80/32/99/949803299.db2.gz IURLOENPSKSZMB-UHFFFAOYSA-N -1 0 323.367 -0.322 20 0 DBADRM CCCCn1nccc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001589659788 949852586 /nfs/dbraw/zinc/85/25/86/949852586.db2.gz WEACELYVDAXBPC-ZDUSSCGKSA-N -1 0 312.326 -0.427 20 0 DBADRM CCCCn1nccc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001589659786 949852730 /nfs/dbraw/zinc/85/27/30/949852730.db2.gz WEACELYVDAXBPC-CYBMUJFWSA-N -1 0 312.326 -0.427 20 0 DBADRM CCCN(CC(=O)NC)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589660671 949866586 /nfs/dbraw/zinc/86/65/86/949866586.db2.gz XJFVZFMZDXCCKN-SNVBAGLBSA-N -1 0 313.354 -0.706 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1cccn3nnnc13)C2 ZINC001595278045 949948570 /nfs/dbraw/zinc/94/85/70/949948570.db2.gz ADOIDNFNOQUBNZ-AMIZOPFISA-N -1 0 303.278 -0.703 20 0 DBADRM CCCN1C[C@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])CC1=O ZINC001589673758 949965439 /nfs/dbraw/zinc/96/54/39/949965439.db2.gz ULIJGIJCGJRDCC-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM CCCN1C[C@H](C(=O)N(CCC(=O)OC)CC(=O)[O-])CC1=O ZINC001589673743 949965986 /nfs/dbraw/zinc/96/59/86/949965986.db2.gz SPQJGBUZWTUCPF-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM CCCN(CCO)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001589674447 949977665 /nfs/dbraw/zinc/97/76/65/949977665.db2.gz XDWOVOUMXNKDDK-WDEREUQCSA-N -1 0 300.355 -0.214 20 0 DBADRM CCCN(CCO)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001589674444 949979125 /nfs/dbraw/zinc/97/91/25/949979125.db2.gz XDWOVOUMXNKDDK-GHMZBOCLSA-N -1 0 300.355 -0.214 20 0 DBADRM CCCNC(=O)C1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001589676866 950001156 /nfs/dbraw/zinc/00/11/56/950001156.db2.gz IPFABCPNTHMIJX-LLVKDONJSA-N -1 0 311.338 -0.019 20 0 DBADRM O=C([O-])C1(CNC(=O)NCC[C@H]2CNC(=O)C2)CCOCC1 ZINC001595284866 950001061 /nfs/dbraw/zinc/00/10/61/950001061.db2.gz GVDGLIGSBDVADI-SNVBAGLBSA-N -1 0 313.354 -0.307 20 0 DBADRM O=C([O-])c1cc(NC(=O)NCCN2CCNC(=O)C2)ccn1 ZINC001595287428 950048487 /nfs/dbraw/zinc/04/84/87/950048487.db2.gz FDFVIXKMZMGVMI-UHFFFAOYSA-N -1 0 307.310 -0.667 20 0 DBADRM CCCS(=O)(=O)CC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001589684663 950065128 /nfs/dbraw/zinc/06/51/28/950065128.db2.gz KTPPDKSFQFXQAE-UHFFFAOYSA-N -1 0 307.368 -0.191 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001595291002 950066372 /nfs/dbraw/zinc/06/63/72/950066372.db2.gz FUOSFWRPXYVLKE-KATARQTJSA-N -1 0 309.322 -0.171 20 0 DBADRM O=C([O-])C1CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001595291577 950073276 /nfs/dbraw/zinc/07/32/76/950073276.db2.gz IKTAZHGKARJAHU-SECBINFHSA-N -1 0 323.309 -0.677 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)Cc2cn(C)nn2)c1[O-] ZINC001485295890 1013097966 /nfs/dbraw/zinc/09/79/66/1013097966.db2.gz XHMDCIGGYVCWFI-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM Cc1cn(C)nc1C(=O)NC[C@H](C)N(C)Cc1nn(C)c(=O)[n-]1 ZINC001485298687 1013098005 /nfs/dbraw/zinc/09/80/05/1013098005.db2.gz CMFAKRBSSRZIHI-JTQLQIEISA-N -1 0 321.385 -0.599 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)CC=CC1 ZINC001595292463 950081447 /nfs/dbraw/zinc/08/14/47/950081447.db2.gz PJVQKIJPINVERO-PSLIRLAXSA-N -1 0 321.333 -0.098 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-] ZINC000379297093 971632206 /nfs/dbraw/zinc/63/22/06/971632206.db2.gz NJICTUKSAFPNKM-SSDOTTSWSA-N -1 0 313.291 -0.752 20 0 DBADRM O=C([O-])C1(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CCC1 ZINC001595292969 950086872 /nfs/dbraw/zinc/08/68/72/950086872.db2.gz SOLNOUIQEGTQLZ-UHFFFAOYSA-N -1 0 309.322 -0.122 20 0 DBADRM CCN(C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)[C@@H]1CCNC1=O ZINC001589696854 950173859 /nfs/dbraw/zinc/17/38/59/950173859.db2.gz DVJNKBRKCBEIID-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN(C(=O)CN1CCC[C@H](C(=O)OC)C1=O)[C@@H](C)C(=O)[O-] ZINC001589699351 950217169 /nfs/dbraw/zinc/21/71/69/950217169.db2.gz JBSRVRKHKWUSMA-UWVGGRQHSA-N -1 0 314.338 -0.280 20 0 DBADRM CCN([C@H](C)CS(C)(=O)=O)[C@H]1CCN(CC(=O)[O-])C1=O ZINC001589713935 950357186 /nfs/dbraw/zinc/35/71/86/950357186.db2.gz VPTVOWWOERADOO-ZJUUUORDSA-N -1 0 306.384 -0.573 20 0 DBADRM CC(C)(C)OC(=O)NCCn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001573860103 950418995 /nfs/dbraw/zinc/41/89/95/950418995.db2.gz FBNYZCLLBZIKJT-UHFFFAOYSA-N -1 0 323.313 -0.346 20 0 DBADRM C[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@@H](C(=O)[O-])C1 ZINC000379997053 971668827 /nfs/dbraw/zinc/66/88/27/971668827.db2.gz ODHLBMXJOVZESA-RKDXNWHRSA-N -1 0 307.372 -0.906 20 0 DBADRM C[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H](C(=O)[O-])C1 ZINC000379997052 971668879 /nfs/dbraw/zinc/66/88/79/971668879.db2.gz ODHLBMXJOVZESA-IUCAKERBSA-N -1 0 307.372 -0.906 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NC[C@@H]2COCCO2)c1 ZINC000379939412 971666645 /nfs/dbraw/zinc/66/66/45/971666645.db2.gz ALNWWRWKIWIIIV-SECBINFHSA-N -1 0 302.308 -0.527 20 0 DBADRM CCN(CCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC001589730462 950498663 /nfs/dbraw/zinc/49/86/63/950498663.db2.gz HXCMWVINISBUIE-AOOOYVTPSA-N -1 0 321.399 -0.180 20 0 DBADRM CCN(CCS(=O)(=O)CC(=O)[O-])C[C@H](O)C(F)(F)F ZINC001589735058 950530050 /nfs/dbraw/zinc/53/00/50/950530050.db2.gz UTZAFSDNXABLBQ-ZETCQYMHSA-N -1 0 307.290 -0.269 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)c3cc(C(=O)[O-])n[nH]3)CCN2C1=O ZINC001589740486 950579415 /nfs/dbraw/zinc/57/94/15/950579415.db2.gz VDPGNPYHIXDELI-SECBINFHSA-N -1 0 321.293 -0.784 20 0 DBADRM CCN(Cc1cn(C)nn1)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001589740515 950582027 /nfs/dbraw/zinc/58/20/27/950582027.db2.gz OWMRMYUXZBNGQB-SECBINFHSA-N -1 0 309.326 -0.903 20 0 DBADRM CCN(Cc1ccccn1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001589740562 950582549 /nfs/dbraw/zinc/58/25/49/950582549.db2.gz VYMHXXLDMHXUKG-GFCCVEGCSA-N -1 0 321.333 -0.258 20 0 DBADRM C[S@@](=O)C1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000380119798 971677989 /nfs/dbraw/zinc/67/79/89/971677989.db2.gz PRJGYJSYZKDHBF-LJQANCHMSA-N -1 0 324.424 -0.472 20 0 DBADRM CN(C(=O)N[C@@H](CC(F)F)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000380134299 971679121 /nfs/dbraw/zinc/67/91/21/971679121.db2.gz TZVVHOWELNZHBG-BQBZGAKWSA-N -1 0 314.310 -0.077 20 0 DBADRM CN(C(=O)N[C@H](CC(F)F)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000380134314 971679188 /nfs/dbraw/zinc/67/91/88/971679188.db2.gz TZVVHOWELNZHBG-RNFRBKRXSA-N -1 0 314.310 -0.077 20 0 DBADRM CCN1CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CC1 ZINC001589743755 950635381 /nfs/dbraw/zinc/63/53/81/950635381.db2.gz AVTHRYOGOWCWFM-UHFFFAOYSA-N -1 0 318.395 -0.570 20 0 DBADRM CCN1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])[C@@H](C)C1 ZINC001589744591 950660224 /nfs/dbraw/zinc/66/02/24/950660224.db2.gz VLFFEFMFVXMPQS-QWRGUYRKSA-N -1 0 305.400 -0.194 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C[C@H]1O ZINC001576214267 950667772 /nfs/dbraw/zinc/66/77/72/950667772.db2.gz OEKLGNOLCRSIOZ-DTWKUNHWSA-N -1 0 324.366 -0.347 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C[C@H]1O ZINC001576214269 950667899 /nfs/dbraw/zinc/66/78/99/950667899.db2.gz OEKLGNOLCRSIOZ-RKDXNWHRSA-N -1 0 324.366 -0.347 20 0 DBADRM CCN1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1=O ZINC001589745043 950678468 /nfs/dbraw/zinc/67/84/68/950678468.db2.gz UHEOMZUNMVZGTP-MGCOHNPYSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@@H]1COCC[C@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000380195652 971683865 /nfs/dbraw/zinc/68/38/65/971683865.db2.gz DDEGXNBGJGVAAF-PSASIEDQSA-N -1 0 303.340 -0.329 20 0 DBADRM CCN1OC[C@@H](n2cc(CN3CCC(C(=O)[O-])CC3)nn2)C1=O ZINC001589883118 950701095 /nfs/dbraw/zinc/70/10/95/950701095.db2.gz XYLXBWVLTDSEBB-GFCCVEGCSA-N -1 0 323.353 -0.091 20 0 DBADRM CC(C)[C@](C)(NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(N)=O ZINC000380261322 971686706 /nfs/dbraw/zinc/68/67/06/971686706.db2.gz SKULHAJRYXGTDR-NSHDSACASA-N -1 0 303.340 -0.109 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001589961854 950740505 /nfs/dbraw/zinc/74/05/05/950740505.db2.gz ACOCFCULQQPXBW-OPRDCNLKSA-N -1 0 319.383 -0.427 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001589962016 950743286 /nfs/dbraw/zinc/74/32/86/950743286.db2.gz IPCQCUKUZJBFBK-SKDRFNHKSA-N -1 0 320.367 -0.840 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCS(N)(=O)=O)CC[C@H]1C(=O)[O-] ZINC000312578335 950762883 /nfs/dbraw/zinc/76/28/83/950762883.db2.gz SZUGQMMKGULNHC-RKDXNWHRSA-N -1 0 307.372 -0.583 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001590057237 950767615 /nfs/dbraw/zinc/76/76/15/950767615.db2.gz DCVZYOMHENXKSD-XULOGPSESA-N -1 0 314.338 -0.330 20 0 DBADRM CCOC(=O)[C@@H](C)N(C(=O)c1cn(CC(=O)[O-])nn1)C1CC1 ZINC001590058009 950774860 /nfs/dbraw/zinc/77/48/60/950774860.db2.gz KKOWJXJINVLSOV-MRVPVSSYSA-N -1 0 310.310 -0.081 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001590058316 950776178 /nfs/dbraw/zinc/77/61/78/950776178.db2.gz MPAIDCWOWQUAFV-ZYUZMQFOSA-N -1 0 314.338 -0.330 20 0 DBADRM C[C@@H]1[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)CCS1(=O)=O ZINC000313424629 950789798 /nfs/dbraw/zinc/78/97/98/950789798.db2.gz XWBPBWNSALSPAV-IWSPIJDZSA-N -1 0 306.340 -0.943 20 0 DBADRM CCOC(=O)[C@@H](CSC)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001590129257 950798691 /nfs/dbraw/zinc/79/86/91/950798691.db2.gz KDKXNOZCWKXSPV-SFYZADRCSA-N -1 0 304.324 -0.373 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](NC(N)=O)C(C)C)C1 ZINC000314346141 950815285 /nfs/dbraw/zinc/81/52/85/950815285.db2.gz BDFDYEKZEOXUOL-TVQRCGJNSA-N -1 0 301.343 -0.371 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@H](C)C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001590137131 950817793 /nfs/dbraw/zinc/81/77/93/950817793.db2.gz DDECTNFJCJHFRI-GDPRMGEGSA-N -1 0 310.306 -0.116 20 0 DBADRM CCOC(=O)[C@H](F)C1CN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001590137585 950822850 /nfs/dbraw/zinc/82/28/50/950822850.db2.gz JNZKIDSXWFGNBU-RKDXNWHRSA-N -1 0 302.258 -0.425 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@H](C)C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001590137795 950826568 /nfs/dbraw/zinc/82/65/68/950826568.db2.gz MUFGVUSMIKOINI-GDPRMGEGSA-N -1 0 310.306 -0.116 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@@H](C)C(=O)[O-])[C@H](O)c1cccnc1 ZINC001590137794 950826982 /nfs/dbraw/zinc/82/69/82/950826982.db2.gz MUFGVUSMIKOINI-FBIMIBRVSA-N -1 0 310.306 -0.116 20 0 DBADRM CCOC(=O)C1(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCC1 ZINC001590138476 950831044 /nfs/dbraw/zinc/83/10/44/950831044.db2.gz RSSABQUVGLFPPC-UHFFFAOYSA-N -1 0 312.322 -0.525 20 0 DBADRM Cc1ccnc2nc(C(=O)Nc3cnn(CC(=O)[O-])c3)nn21 ZINC000315101411 950837820 /nfs/dbraw/zinc/83/78/20/950837820.db2.gz OBGBBRMNYCMOBB-UHFFFAOYSA-N -1 0 301.266 -0.034 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)NCCOCC(=O)[O-])C1 ZINC000380406391 971696845 /nfs/dbraw/zinc/69/68/45/971696845.db2.gz CSVOGFDVLZUZHB-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM CCOC(=O)C1(O)CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001590179173 950864386 /nfs/dbraw/zinc/86/43/86/950864386.db2.gz NLJFZSKUISMRLK-VIFPVBQESA-N -1 0 314.294 -0.868 20 0 DBADRM CCOC(=O)[C@@]1(C)CN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001590179310 950867849 /nfs/dbraw/zinc/86/78/49/950867849.db2.gz WSQHQNKDZMXBST-TVQRCGJNSA-N -1 0 314.294 -0.604 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])CCC1 ZINC001590180289 950876393 /nfs/dbraw/zinc/87/63/93/950876393.db2.gz YDKTYXMTIFSULX-JTQLQIEISA-N -1 0 309.340 -0.773 20 0 DBADRM CC1(C)C[C@H](O)CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001575639925 950879803 /nfs/dbraw/zinc/87/98/03/950879803.db2.gz DUZJUPIXMBOAFN-SECBINFHSA-N -1 0 320.357 -0.532 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)C(=O)[O-] ZINC000316902061 950896059 /nfs/dbraw/zinc/89/60/59/950896059.db2.gz YZKMBCYJBWPKRI-QWRGUYRKSA-N -1 0 314.338 -0.233 20 0 DBADRM O=C([O-])CC1(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CCOCC1 ZINC001594974008 950896693 /nfs/dbraw/zinc/89/66/93/950896693.db2.gz JGOGWHJWRCMUEP-SNVBAGLBSA-N -1 0 319.379 -0.049 20 0 DBADRM CCOC(=O)CC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001590345477 950902477 /nfs/dbraw/zinc/90/24/77/950902477.db2.gz DGPAIDBOPFJTAC-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM O=C([O-])CC1(C(=O)NN2CCS(=O)(=O)CC2)CCOCC1 ZINC001594976540 950920651 /nfs/dbraw/zinc/92/06/51/950920651.db2.gz WLXHPIIKLFYFFB-UHFFFAOYSA-N -1 0 320.367 -0.981 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001590377367 950931764 /nfs/dbraw/zinc/93/17/64/950931764.db2.gz KKHBGBNFYVOALJ-SECBINFHSA-N -1 0 313.310 -0.045 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCCN2CCOCC2)C1 ZINC000319040726 950943733 /nfs/dbraw/zinc/94/37/33/950943733.db2.gz BGFROJRQXVRSKT-CQSZACIVSA-N -1 0 315.370 -0.549 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)CC[C@@H]1C(=O)[O-] ZINC000319079957 950948919 /nfs/dbraw/zinc/94/89/19/950948919.db2.gz BKOAHPHIPDCAPN-KXUCPTDWSA-N -1 0 311.338 -0.114 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCCCn2ccnn2)C1 ZINC000319413981 950959656 /nfs/dbraw/zinc/95/96/56/950959656.db2.gz DQWZPGZOGAHGHE-ZDUSSCGKSA-N -1 0 311.342 -0.199 20 0 DBADRM O=C([O-])CC1(C(=O)OCC(=O)N2CCNC2=O)CCOCC1 ZINC001594978862 950964696 /nfs/dbraw/zinc/96/46/96/950964696.db2.gz ZFNLJRRTPJEBCL-UHFFFAOYSA-N -1 0 314.294 -0.647 20 0 DBADRM C[C@@](NC(=O)[C@@H]1CC(=O)NC(=O)N1)(C(=O)[O-])c1ccccc1 ZINC000320007700 950974301 /nfs/dbraw/zinc/97/43/01/950974301.db2.gz VDFLGFMTEWBWTG-XPTSAGLGSA-N -1 0 305.290 -0.299 20 0 DBADRM O=C([O-])COCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000321154692 951012495 /nfs/dbraw/zinc/01/24/95/951012495.db2.gz OODUDAPTDBYIRZ-UHFFFAOYSA-N -1 0 324.293 -0.260 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001590957468 951023516 /nfs/dbraw/zinc/02/35/16/951023516.db2.gz AJRGGMKUFPSHBE-IVZWLZJFSA-N -1 0 305.352 -0.631 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CCCNC(=O)C2)C1 ZINC001594987463 951025215 /nfs/dbraw/zinc/02/52/15/951025215.db2.gz CRIGGACSLCXEKI-JTQLQIEISA-N -1 0 311.338 -0.952 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)NCCn2cncn2)C1 ZINC001594987754 951029235 /nfs/dbraw/zinc/02/92/35/951029235.db2.gz LIAFWLGZJKGIOE-SNVBAGLBSA-N -1 0 309.326 -0.892 20 0 DBADRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000324244392 951064225 /nfs/dbraw/zinc/06/42/25/951064225.db2.gz JGCLPPYVMLYTIQ-UWVGGRQHSA-N -1 0 321.289 -0.898 20 0 DBADRM CCOC(=O)c1cn(CCNC(=O)c2cc(C(=O)[O-])n[nH]2)cn1 ZINC001591197590 951098575 /nfs/dbraw/zinc/09/85/75/951098575.db2.gz XEFCBYJUKHDGGE-UHFFFAOYSA-N -1 0 321.293 -0.089 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CC(N3CCOCC3)C2)CO1 ZINC001595000345 951113399 /nfs/dbraw/zinc/11/33/99/951113399.db2.gz JVQDKPJRDLJXNO-WCQYABFASA-N -1 0 312.366 -0.201 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NC[C@H]2CN3CCN2CC3)CO1 ZINC001595002008 951141129 /nfs/dbraw/zinc/14/11/29/951141129.db2.gz RANDOVXQFKRXTF-RWMBFGLXSA-N -1 0 311.382 -0.628 20 0 DBADRM CCO[C@H](C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[C@H]1CCOC1 ZINC001591531783 951159239 /nfs/dbraw/zinc/15/92/39/951159239.db2.gz WOHMCTCPFOFMLH-ASHKBJFXSA-N -1 0 313.350 -0.012 20 0 DBADRM CCO[C@H](C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001591531785 951159379 /nfs/dbraw/zinc/15/93/79/951159379.db2.gz WOHMCTCPFOFMLH-YXMPFFBPSA-N -1 0 313.350 -0.012 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2CCS(=O)(=O)CC2)CO1 ZINC001595004160 951175894 /nfs/dbraw/zinc/17/58/94/951175894.db2.gz PSBIQZGYTLVZQM-NXEZZACHSA-N -1 0 305.352 -0.487 20 0 DBADRM CCOC1CN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001591764948 951215626 /nfs/dbraw/zinc/21/56/26/951215626.db2.gz HRSZXJYAMRETDS-NSHDSACASA-N -1 0 313.354 -0.118 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001591765279 951220513 /nfs/dbraw/zinc/22/05/13/951220513.db2.gz RESNMTIRVGBLBH-GMTAPVOTSA-N -1 0 314.338 -0.770 20 0 DBADRM CCOCCOCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001591925787 951242692 /nfs/dbraw/zinc/24/26/92/951242692.db2.gz DUISSOLQYGSKSD-FZMZJTMJSA-N -1 0 316.354 -0.218 20 0 DBADRM CCOCCO[C@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001591925860 951243777 /nfs/dbraw/zinc/24/37/77/951243777.db2.gz HXLHEEHLMMRBFZ-ZJUUUORDSA-N -1 0 323.367 -0.862 20 0 DBADRM CCOCCOC[C@H](O)CNC(=O)c1cnc(C(=O)[O-])cn1 ZINC001591926323 951244345 /nfs/dbraw/zinc/24/43/45/951244345.db2.gz MUCYYBJYCBSUHS-SECBINFHSA-N -1 0 313.310 -0.681 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCCS(C)(=O)=O)C1 ZINC000383744792 951258593 /nfs/dbraw/zinc/25/85/93/951258593.db2.gz GDIIVNXDWFZGKO-NSHDSACASA-N -1 0 308.356 -0.836 20 0 DBADRM CCON(C)C(=O)CNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001591997424 951269512 /nfs/dbraw/zinc/26/95/12/951269512.db2.gz OMGWGBZBHXEJSZ-UHFFFAOYSA-N -1 0 311.294 -0.927 20 0 DBADRM CCON(CC)C(=O)CNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001591997940 951275016 /nfs/dbraw/zinc/27/50/16/951275016.db2.gz UXSDTOSDGOCDFY-VIFPVBQESA-N -1 0 303.315 -0.719 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccccn1 ZINC001592970110 951378558 /nfs/dbraw/zinc/37/85/58/951378558.db2.gz CAOVACOBBWZWED-ONGXEEELSA-N -1 0 307.306 -0.429 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)Nc1cccnc1C(=O)[O-] ZINC000390394849 951378632 /nfs/dbraw/zinc/37/86/32/951378632.db2.gz RHAFJDIMYVAVCV-UHFFFAOYSA-N -1 0 316.339 -0.159 20 0 DBADRM CCOc1n[nH]c(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001593060735 951396870 /nfs/dbraw/zinc/39/68/70/951396870.db2.gz NODHMXCEEYYCIB-SSDOTTSWSA-N -1 0 311.298 -0.535 20 0 DBADRM O=C([O-])CCCCCNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001595035900 951405099 /nfs/dbraw/zinc/40/50/99/951405099.db2.gz KYXYDTUVXKZPPW-SECBINFHSA-N -1 0 320.367 -0.949 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)C1(C(=O)[O-])CCOCC1 ZINC001593277603 951419047 /nfs/dbraw/zinc/41/90/47/951419047.db2.gz NIUHARCJIGDFCG-SECBINFHSA-N -1 0 307.368 -0.193 20 0 DBADRM O=C([O-])CCCCNC(=O)NCc1nnc2n1CCNC2=O ZINC001595043167 951433497 /nfs/dbraw/zinc/43/34/97/951433497.db2.gz INROBENKVDQPIV-UHFFFAOYSA-N -1 0 310.314 -0.924 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC000394299544 951450887 /nfs/dbraw/zinc/45/08/87/951450887.db2.gz SSZHNLNAZHGELH-APPZFPTMSA-N -1 0 304.324 -0.749 20 0 DBADRM O=C([O-])CCCNC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001595049287 951461327 /nfs/dbraw/zinc/46/13/27/951461327.db2.gz BGQSQZSZMIUYLG-GFCCVEGCSA-N -1 0 320.367 -0.550 20 0 DBADRM O=C([O-])CCCNC(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001595049665 951463921 /nfs/dbraw/zinc/46/39/21/951463921.db2.gz OMWVWTNCQFHJBF-LBPRGKRZSA-N -1 0 301.299 -0.628 20 0 DBADRM Cc1n[nH]c(C)c1NC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000396640659 951480438 /nfs/dbraw/zinc/48/04/38/951480438.db2.gz GUVDYMNLEVYBEI-UHFFFAOYSA-N -1 0 309.326 -0.806 20 0 DBADRM CC(=O)N1CCC(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1 ZINC000396638749 951480897 /nfs/dbraw/zinc/48/08/97/951480897.db2.gz HNJNRWBXIKZZCS-UHFFFAOYSA-N -1 0 311.338 -1.000 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC001595055553 951491882 /nfs/dbraw/zinc/49/18/82/951491882.db2.gz AUBYGTITMMDIMG-UHFFFAOYSA-N -1 0 320.349 -0.683 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC001595055702 951494639 /nfs/dbraw/zinc/49/46/39/951494639.db2.gz CTWGICBAULWEPM-NKWVEPMBSA-N -1 0 312.244 -0.794 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000397012168 951497946 /nfs/dbraw/zinc/49/79/46/951497946.db2.gz IXDDYVZXHZQGCS-MXWKQRLJSA-N -1 0 318.395 -0.525 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC001595055930 951498956 /nfs/dbraw/zinc/49/89/56/951498956.db2.gz LGPMJDVMRWQBEC-TVQRCGJNSA-N -1 0 300.311 -0.968 20 0 DBADRM O=C([O-])CCc1cccc(NC(=O)C(=O)NC(CO)CO)c1 ZINC001595063054 951520610 /nfs/dbraw/zinc/52/06/10/951520610.db2.gz CPSFTEQKPNGEGM-UHFFFAOYSA-N -1 0 310.306 -0.888 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCC2=CCOCC2)CC1 ZINC000397756882 951570827 /nfs/dbraw/zinc/57/08/27/951570827.db2.gz OQKDQRYMGPJQTK-UHFFFAOYSA-N -1 0 304.368 -0.036 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC(=O)N(Cc3ccccc3)C2)C1=O ZINC001595072110 951603969 /nfs/dbraw/zinc/60/39/69/951603969.db2.gz MSWXCNSQIGVZRT-ZDUSSCGKSA-N -1 0 317.345 -0.026 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CC(=O)N(CC(F)(F)F)C2)C1=O ZINC001595072563 951610840 /nfs/dbraw/zinc/61/08/40/951610840.db2.gz ZFVLQVZBGZCKAT-SSDOTTSWSA-N -1 0 309.244 -0.664 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCN(Cc3cn[nH]c3)CC2)C1=O ZINC001595073832 951619231 /nfs/dbraw/zinc/61/92/31/951619231.db2.gz JDWUHTYEMREJNH-GFCCVEGCSA-N -1 0 307.354 -0.787 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCS(=O)(=O)C[C@@H]2C2CC2)C1=O ZINC001595074013 951622871 /nfs/dbraw/zinc/62/28/71/951622871.db2.gz LDZTZIWEWNAGPF-GHMZBOCLSA-N -1 0 316.379 -0.819 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCOC[C@H]2[C@@H]2CCCC2=O)C1=O ZINC001595074233 951626934 /nfs/dbraw/zinc/62/69/34/951626934.db2.gz OYKVGYJJOWAGCO-SRVKXCTJSA-N -1 0 310.350 -0.258 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCC3(CCNC(=O)O3)CC2)C1=O ZINC001595074781 951638265 /nfs/dbraw/zinc/63/82/65/951638265.db2.gz WINYNWZGGUKXBO-JTQLQIEISA-N -1 0 311.338 -0.364 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000400136727 951644381 /nfs/dbraw/zinc/64/43/81/951644381.db2.gz UCWBGILMKBNITB-BDAKNGLRSA-N -1 0 307.372 -0.427 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC000401786971 951664552 /nfs/dbraw/zinc/66/45/52/951664552.db2.gz GLMXNBPWQJVKLP-UHFFFAOYSA-N -1 0 302.331 -0.904 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)c2ccnc3ccnn32)C1=O ZINC001595080894 951675734 /nfs/dbraw/zinc/67/57/34/951675734.db2.gz CLCHVGOALBYYRP-SECBINFHSA-N -1 0 304.262 -0.428 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCCCn2ccnc2)C1=O ZINC001595081619 951685759 /nfs/dbraw/zinc/68/57/59/951685759.db2.gz BYXDVVJGASDOPD-NSHDSACASA-N -1 0 308.338 -0.287 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCc2ccc(=O)[nH]c2)C1=O ZINC001595082587 951698879 /nfs/dbraw/zinc/69/88/79/951698879.db2.gz INARWZWZSBPFAM-JTQLQIEISA-N -1 0 307.306 -0.273 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCCOC(F)(F)F)C1=O ZINC001595082686 951700716 /nfs/dbraw/zinc/70/07/16/951700716.db2.gz KIEKUYNHEQBLTR-ZETCQYMHSA-N -1 0 312.244 -0.038 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCc2cc(=O)c(O)co2)C1=O ZINC001595083071 951706656 /nfs/dbraw/zinc/70/66/56/951706656.db2.gz OAFHAPSNFUFVND-SECBINFHSA-N -1 0 324.289 -0.715 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCOCC(F)(F)C2)C1=O ZINC001595083441 951709599 /nfs/dbraw/zinc/70/95/99/951709599.db2.gz KVUBLUGRAGFZSN-SECBINFHSA-N -1 0 320.292 -0.196 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@H]2CCc3n[nH]cc3C2)C1=O ZINC001595083812 951711254 /nfs/dbraw/zinc/71/12/54/951711254.db2.gz MBIMSIYLOBJYAU-WDEREUQCSA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1=O ZINC001595083651 951711606 /nfs/dbraw/zinc/71/16/06/951711606.db2.gz MBIMSIYLOBJYAU-GHMZBOCLSA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2Cc3cncnc3C2)C1=O ZINC001595085130 951720682 /nfs/dbraw/zinc/72/06/82/951720682.db2.gz RPBWWTAEJRDTEC-JTQLQIEISA-N -1 0 304.306 -0.358 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC[C@@H](CCCO)C2)C1=O ZINC001595085952 951727371 /nfs/dbraw/zinc/72/73/71/951727371.db2.gz FKTSKEHVQYHFAF-VXGBXAGGSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCN(C3CC3)CC2)C1=O ZINC001595086773 951737879 /nfs/dbraw/zinc/73/78/79/951737879.db2.gz NBBCFXKSZPYIPA-GFCCVEGCSA-N -1 0 309.366 -0.384 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)CC2OCCCO2)C1=O ZINC001595089229 951757084 /nfs/dbraw/zinc/75/70/84/951757084.db2.gz BZXJVBNWVXAJCW-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NC2(CO)CCC2)C1=O ZINC001595090085 951764720 /nfs/dbraw/zinc/76/47/20/951764720.db2.gz FGEIKQLRQXEEMT-JTQLQIEISA-N -1 0 313.354 -0.334 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1=O ZINC001595090771 951771035 /nfs/dbraw/zinc/77/10/35/951771035.db2.gz SDXNANXCBRIPRM-VHSXEESVSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)N2CC=C[C@@H]2CO)C1=O ZINC001595090873 951773067 /nfs/dbraw/zinc/77/30/67/951773067.db2.gz UDCINUCHQWGAIQ-GHMZBOCLSA-N -1 0 311.338 -0.606 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NC[C@@H]2CCCO2)C1=O ZINC001595091553 951779800 /nfs/dbraw/zinc/77/98/00/951779800.db2.gz SHGFNYTZFKYHTI-QWRGUYRKSA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](N2C(=O)N[C@@H](C3CC3)C2=O)C1=O ZINC001595092512 951793593 /nfs/dbraw/zinc/79/35/93/951793593.db2.gz WADYZFIOZXHIAW-KOLCDFICSA-N -1 0 309.322 -0.218 20 0 DBADRM O=C([O-])CNC(=O)CN1CCCC[C@H]1C(=O)NCC(F)F ZINC001595098471 951838890 /nfs/dbraw/zinc/83/88/90/951838890.db2.gz RDDDFJSQUPFMHN-QMMMGPOBSA-N -1 0 307.297 -0.577 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC001595099146 951847673 /nfs/dbraw/zinc/84/76/73/951847673.db2.gz MWQRWGCKNDFMHP-UHFFFAOYSA-N -1 0 322.252 -0.236 20 0 DBADRM O=C([O-])CNC(=O)COc1ccc(-n2c(=O)[nH][nH]c2=O)cc1 ZINC001595099323 951848392 /nfs/dbraw/zinc/84/83/92/951848392.db2.gz SGKUPFJHZHGDHD-UHFFFAOYSA-N -1 0 308.250 -0.742 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)Cn1c(=O)oc2ccccc21 ZINC001595099957 951850400 /nfs/dbraw/zinc/85/04/00/951850400.db2.gz GJMNBAFVGFVMQZ-UHFFFAOYSA-N -1 0 308.246 -0.662 20 0 DBADRM O=C([O-])CNC(=O)Cn1cnc(C(=O)c2ccc(F)cc2)n1 ZINC001595100654 951852517 /nfs/dbraw/zinc/85/25/17/951852517.db2.gz JAGXCASWBUGRGE-UHFFFAOYSA-N -1 0 306.253 -0.151 20 0 DBADRM O=C([O-])CNC(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 ZINC001595102174 951856677 /nfs/dbraw/zinc/85/66/77/951856677.db2.gz ZYMSVDDLASXQAJ-UHFFFAOYSA-N -1 0 313.291 -0.382 20 0 DBADRM O=C([O-])COCC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC001595108269 951898735 /nfs/dbraw/zinc/89/87/35/951898735.db2.gz PZDJRUZCSMRPBN-CYBMUJFWSA-N -1 0 323.349 -0.500 20 0 DBADRM O=C([O-])COCC(=O)OCC(=O)Nc1ccc2c(c1)OCO2 ZINC001595111173 951906766 /nfs/dbraw/zinc/90/67/66/951906766.db2.gz UBFVGCHIPGVSBG-UHFFFAOYSA-N -1 0 311.246 -0.002 20 0 DBADRM O=C([O-])COCCOCCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001595112799 951917104 /nfs/dbraw/zinc/91/71/04/951917104.db2.gz JTAFMKVFXMRHFK-SNVBAGLBSA-N -1 0 312.326 -0.926 20 0 DBADRM O=C([O-])COCCOCCNC(=O)[C@@H]1CCCC12OCCO2 ZINC001595113085 951921181 /nfs/dbraw/zinc/92/11/81/951921181.db2.gz WSKBIBBVLLCTMB-NSHDSACASA-N -1 0 317.338 -0.236 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CC[C@]12CCOC2 ZINC001595114123 951934356 /nfs/dbraw/zinc/93/43/56/951934356.db2.gz QRQCANILTSIPTA-CYBMUJFWSA-N -1 0 302.327 -0.321 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001595114274 951936053 /nfs/dbraw/zinc/93/60/53/951936053.db2.gz YMVXEXMOGRMYMJ-HBNTYKKESA-N -1 0 302.327 -0.277 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC001595123758 951991130 /nfs/dbraw/zinc/99/11/30/951991130.db2.gz BXARGXAVLKODRZ-IONNQARKSA-N -1 0 319.301 -0.127 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC001595123992 951993494 /nfs/dbraw/zinc/99/34/94/951993494.db2.gz IAOZFTTYQPKEPF-NWDGAFQWSA-N -1 0 320.411 -0.983 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC001595124489 951999349 /nfs/dbraw/zinc/99/93/49/951999349.db2.gz SWZUHVAYYDVTOY-RYUDHWBXSA-N -1 0 321.395 -0.244 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC[C@H]1CN1CCOCC1 ZINC001595124431 951999587 /nfs/dbraw/zinc/99/95/87/951999587.db2.gz QQHKGUVSZDDNGW-LBPRGKRZSA-N -1 0 320.411 -0.718 20 0 DBADRM O=C([O-])CSCC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC001595126411 952015428 /nfs/dbraw/zinc/01/54/28/952015428.db2.gz WBSVRSWIVNYPRO-IUCAKERBSA-N -1 0 307.393 -0.018 20 0 DBADRM O=C([O-])CSCC(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001595126827 952017678 /nfs/dbraw/zinc/01/76/78/952017678.db2.gz RFKGGTVPKRRRSA-LLVKDONJSA-N -1 0 304.324 -0.858 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)nn1 ZINC001595140335 952074091 /nfs/dbraw/zinc/07/40/91/952074091.db2.gz RERWFXHAORJJNC-WPRPVWTQSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC[C@@H](C3OCCO3)C2)nn1 ZINC001595142099 952087852 /nfs/dbraw/zinc/08/78/52/952087852.db2.gz HDFNLBUDQKMGPG-SECBINFHSA-N -1 0 310.310 -0.412 20 0 DBADRM O=C([O-])Cc1noc(C2=CC=CN3CCS(=O)(=O)N=C23)n1 ZINC001595142738 952093175 /nfs/dbraw/zinc/09/31/75/952093175.db2.gz ZOZQYSNIYZIUGF-UHFFFAOYSA-N -1 0 310.291 -0.349 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC3(CCNC3=O)CC2)nn1 ZINC001595142779 952094457 /nfs/dbraw/zinc/09/44/57/952094457.db2.gz PLNXZWUDIGGRSD-UHFFFAOYSA-N -1 0 307.310 -0.895 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC(O)(C(F)F)CC2)nn1 ZINC001595143140 952097252 /nfs/dbraw/zinc/09/72/52/952097252.db2.gz VCVKDUDNTZWSOG-UHFFFAOYSA-N -1 0 304.253 -0.405 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCO[C@@H](C(F)F)CC2)nn1 ZINC001595143157 952097374 /nfs/dbraw/zinc/09/73/74/952097374.db2.gz VOUIMRBRHRYZHK-MRVPVSSYSA-N -1 0 304.253 -0.141 20 0 DBADRM O=C([O-])Cn1cc(C(=O)Nc2cc(CO)cc(CO)c2)nn1 ZINC001595143435 952100650 /nfs/dbraw/zinc/10/06/50/952100650.db2.gz FAVOGLDTFCACLH-UHFFFAOYSA-N -1 0 306.278 -0.400 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCc2nccn2C(F)F)nn1 ZINC001595143813 952104637 /nfs/dbraw/zinc/10/46/37/952104637.db2.gz YAWGZQNRADVMLO-UHFFFAOYSA-N -1 0 300.225 -0.116 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)c2noc3c2COCC3)nn1 ZINC001595146670 952117172 /nfs/dbraw/zinc/11/71/72/952117172.db2.gz OYPSBZXRRXIDSG-UHFFFAOYSA-N -1 0 322.277 -0.177 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@H]2CO[C@@H](C3CC3)C2)n1 ZINC001595147485 952120249 /nfs/dbraw/zinc/12/02/49/952120249.db2.gz DVPNUMJWLODFTJ-NXEZZACHSA-N -1 0 322.321 -0.410 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@H]2CO[C@H](C3CC3)C2)n1 ZINC001595147488 952120669 /nfs/dbraw/zinc/12/06/69/952120669.db2.gz DVPNUMJWLODFTJ-ZJUUUORDSA-N -1 0 322.321 -0.410 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)CCN2CCCS2(=O)=O)cn1 ZINC001595148205 952126229 /nfs/dbraw/zinc/12/62/29/952126229.db2.gz FSMHOQHFHFTFRL-UHFFFAOYSA-N -1 0 316.339 -0.668 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)n1 ZINC001595148447 952127672 /nfs/dbraw/zinc/12/76/72/952127672.db2.gz RMUYBISCWVBONF-AWEZNQCLSA-N -1 0 322.321 -0.720 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CC[C@]23CCOC3)n1 ZINC001595148655 952129665 /nfs/dbraw/zinc/12/96/65/952129665.db2.gz UGHWTUJOTSACRX-CYBMUJFWSA-N -1 0 308.294 -0.702 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CCO[C@@H]3CCC[C@@H]32)n1 ZINC001595148732 952130525 /nfs/dbraw/zinc/13/05/25/952130525.db2.gz XQSSEZMXPGEHFF-VHSXEESVSA-N -1 0 322.321 -0.314 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCCCn2cccn2)n1 ZINC001595151064 952132123 /nfs/dbraw/zinc/13/21/23/952132123.db2.gz CINJGAUHVSZQAP-UHFFFAOYSA-N -1 0 320.309 -0.691 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2O)n1 ZINC001595151070 952132436 /nfs/dbraw/zinc/13/24/36/952132436.db2.gz CSACETDOICHGCX-RKDXNWHRSA-N -1 0 310.310 -0.674 20 0 DBADRM O=C([O-])Cn1ccc(NCC(=O)NCC(=O)N2CCCC2)n1 ZINC001595153004 952149505 /nfs/dbraw/zinc/14/95/05/952149505.db2.gz PCGYIIKYOWHYPT-UHFFFAOYSA-N -1 0 309.326 -0.882 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CC[C@@H](c3ncon3)C2)c1=O ZINC001595154088 952155315 /nfs/dbraw/zinc/15/53/15/952155315.db2.gz JILKJPSSARJKBI-SECBINFHSA-N -1 0 318.289 -0.054 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@H]2CCn3ccnc3C2)c1=O ZINC001595154329 952156208 /nfs/dbraw/zinc/15/62/08/952156208.db2.gz FEISXKFQQWMLNW-JTQLQIEISA-N -1 0 316.317 -0.126 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NC[C@@H](O)c2ccco2)c1=O ZINC001595155682 952165627 /nfs/dbraw/zinc/16/56/27/952165627.db2.gz UWEWZCNZHXPLBB-SNVBAGLBSA-N -1 0 306.274 -0.011 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)c2ccc(-n3ccnc3)nn2)n1 ZINC001595160768 952193219 /nfs/dbraw/zinc/19/32/19/952193219.db2.gz XBGBOHCHQUSMLX-UHFFFAOYSA-N -1 0 314.265 -0.409 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)c2cn(C3CCOCC3)nn2)n1 ZINC001595160742 952193561 /nfs/dbraw/zinc/19/35/61/952193561.db2.gz WFPDMOGDFSVBEN-UHFFFAOYSA-N -1 0 321.297 -0.442 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)C1 ZINC001595162609 952200256 /nfs/dbraw/zinc/20/02/56/952200256.db2.gz RZZPPOYQOLZIMH-SNVBAGLBSA-N -1 0 323.349 -0.857 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)C1 ZINC001595162557 952200539 /nfs/dbraw/zinc/20/05/39/952200539.db2.gz JBDRCFXFBYYELK-UTUOFQBUSA-N -1 0 320.349 -0.261 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC(OCCO)CC1 ZINC001595168526 952215438 /nfs/dbraw/zinc/21/54/38/952215438.db2.gz VTTKPLZNVGYQEI-NSHDSACASA-N -1 0 322.383 -0.747 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H](CO)[C@@H]1CCCOC1 ZINC001595169467 952219365 /nfs/dbraw/zinc/21/93/65/952219365.db2.gz OKOKGKIIKYCAKF-VWYCJHECSA-N -1 0 322.383 -0.843 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001595173273 952228221 /nfs/dbraw/zinc/22/82/21/952228221.db2.gz UZYRTACLERIWDJ-VPOLOUISSA-N -1 0 301.364 -0.010 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCO[C@@H](CN2CCOCC2)C1 ZINC001595179358 952246740 /nfs/dbraw/zinc/24/67/40/952246740.db2.gz VDFKFZQTNAJGLN-YNEHKIRRSA-N -1 0 312.366 -0.343 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC001595180735 952251168 /nfs/dbraw/zinc/25/11/68/952251168.db2.gz VJDDYZCWOWJIGZ-NXEZZACHSA-N -1 0 321.337 -0.042 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001595181519 952252826 /nfs/dbraw/zinc/25/28/26/952252826.db2.gz NXXMQPKRPNLZLU-HTQZYQBOSA-N -1 0 307.306 -0.018 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)CCn1ccnc1)C2 ZINC001595192386 952290171 /nfs/dbraw/zinc/29/01/71/952290171.db2.gz LVGXWYYUETXFRK-JQWIXIFHSA-N -1 0 315.351 -0.754 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)c1ccns1)C2 ZINC001595192786 952294664 /nfs/dbraw/zinc/29/46/64/952294664.db2.gz YLLVCAOHGQIABW-XVKPBYJWSA-N -1 0 304.349 -0.135 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1[C@H]1CCSC1)C2 ZINC001595203293 952319663 /nfs/dbraw/zinc/31/96/63/952319663.db2.gz UVEBIIGZWAYOEZ-VDDIYKPWSA-N -1 0 311.367 -0.112 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1C[C@@H]1CCC=CO1)C2 ZINC001595203405 952320185 /nfs/dbraw/zinc/32/01/85/952320185.db2.gz XEPIAYDZEDDWFD-UHIISALHSA-N -1 0 321.337 -0.097 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC(O)(COCCO)CC2)cn1 ZINC001595214918 952372409 /nfs/dbraw/zinc/37/24/09/952372409.db2.gz MRIYCGUAAAUJFE-UHFFFAOYSA-N -1 0 324.333 -0.244 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1 ZINC000383943860 971903286 /nfs/dbraw/zinc/90/32/86/971903286.db2.gz ACVDCZDNWLIHNV-UHFFFAOYSA-N -1 0 319.310 -0.094 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N(OC)[C@H](C)C(=O)[O-])C1 ZINC001593353696 953351786 /nfs/dbraw/zinc/35/17/86/953351786.db2.gz CYSMVWYGNLKMDF-NXEZZACHSA-N -1 0 322.383 -0.089 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001593353862 953352423 /nfs/dbraw/zinc/35/24/23/953352423.db2.gz JIOUCVMJOHJBDC-GFCCVEGCSA-N -1 0 322.383 -0.592 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)[C@](C)(OC)C(=O)[O-])CC1 ZINC001593355073 953355605 /nfs/dbraw/zinc/35/56/05/953355605.db2.gz IDDGBZKTZCECNW-LBPRGKRZSA-N -1 0 322.383 -0.594 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001593355371 953358764 /nfs/dbraw/zinc/35/87/64/953358764.db2.gz YIOFCKMQQUOLSM-IVZWLZJFSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC(N3CCCC3=O)C2)CCC1 ZINC001594739145 953361192 /nfs/dbraw/zinc/36/11/92/953361192.db2.gz QSCRTBISJPWBTJ-UHFFFAOYSA-N -1 0 323.349 -0.809 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CCOCCO)C1 ZINC001589265834 953369386 /nfs/dbraw/zinc/36/93/86/953369386.db2.gz LVDADZIVBMLLHS-MNOVXSKESA-N -1 0 316.354 -0.977 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CCC(CO)(CO)C2)CCOCC1 ZINC001594742540 953370146 /nfs/dbraw/zinc/37/01/46/953370146.db2.gz PRBLJFQNZSQVFZ-UHFFFAOYSA-N -1 0 316.354 -0.746 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2cnn(C)c2)C1 ZINC001589266132 953370420 /nfs/dbraw/zinc/37/04/20/953370420.db2.gz NLRVGRKZNXGBEZ-PWSUYJOCSA-N -1 0 322.365 -0.052 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ncnn1C ZINC001589266174 953371889 /nfs/dbraw/zinc/37/18/89/953371889.db2.gz OCUWQDDXTYOEJA-OPRDCNLKSA-N -1 0 323.353 -0.439 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NC[C@@H]2COCCO2)C1 ZINC001589266423 953372590 /nfs/dbraw/zinc/37/25/90/953372590.db2.gz RTLNVDIEYCUGCE-GMTAPVOTSA-N -1 0 314.338 -0.913 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cnn(C)c2)C1 ZINC001589266560 953374140 /nfs/dbraw/zinc/37/41/40/953374140.db2.gz UJOGDUQVOTYMBG-MWLCHTKSSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])[C@H](C)O1 ZINC001589266788 953375259 /nfs/dbraw/zinc/37/52/59/953375259.db2.gz WQPMQENFOLBUPY-XFWSIPNHSA-N -1 0 305.352 -0.490 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCn3ncnc3C2)C1 ZINC001589266793 953375302 /nfs/dbraw/zinc/37/53/02/953375302.db2.gz WYFANBZHTUTIBJ-UWVGGRQHSA-N -1 0 321.337 -0.811 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC001589268281 953384002 /nfs/dbraw/zinc/38/40/02/953384002.db2.gz IQZMHZIEMVTITQ-RKDXNWHRSA-N -1 0 304.368 -0.553 20 0 DBADRM O=C([O-])C1(CNC(=O)NC[C@]2(O)CCOC2)CCOCC1 ZINC001594745768 953385018 /nfs/dbraw/zinc/38/50/18/953385018.db2.gz HNJWKSDWRLSBSV-CYBMUJFWSA-N -1 0 302.327 -0.682 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001589272951 953429304 /nfs/dbraw/zinc/42/93/04/953429304.db2.gz RVRVLNVRASXEPI-BQBZGAKWSA-N -1 0 316.339 -0.760 20 0 DBADRM CC[C@@H](NC(=O)c1nc(S(C)(=O)=O)ncc1C)C(=O)[O-] ZINC001593607210 953439135 /nfs/dbraw/zinc/43/91/35/953439135.db2.gz PKUNICCHJBNEBG-SSDOTTSWSA-N -1 0 301.324 -0.218 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCSC2)CCO1 ZINC001594751564 953444692 /nfs/dbraw/zinc/44/46/92/953444692.db2.gz UDMVJSSNQIKPIC-BDAKNGLRSA-N -1 0 302.352 -0.832 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCC[C@@]2(O)CCOC2)c1 ZINC001594754146 953458439 /nfs/dbraw/zinc/45/84/39/953458439.db2.gz JVDAAXWZJPFQFK-OAHLLOKOSA-N -1 0 322.317 -0.019 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCCCn2ccnc2)CCO1 ZINC001594757341 953475784 /nfs/dbraw/zinc/47/57/84/953475784.db2.gz WBVPFIRVCUBUCB-LLVKDONJSA-N -1 0 324.337 -0.909 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCCCn1cncn1)C2 ZINC001594758361 953485384 /nfs/dbraw/zinc/48/53/84/953485384.db2.gz IXVGKNXXHAQHBH-GWCFXTLKSA-N -1 0 309.326 -0.589 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCO[C@H]2CCOC2)CCOCC1 ZINC001594758831 953494075 /nfs/dbraw/zinc/49/40/75/953494075.db2.gz KRQZKGLKPMELDJ-NSHDSACASA-N -1 0 316.354 -0.028 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCO[C@@H]2CCOC2)CCOCC1 ZINC001594758830 953494128 /nfs/dbraw/zinc/49/41/28/953494128.db2.gz KRQZKGLKPMELDJ-LLVKDONJSA-N -1 0 316.354 -0.028 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCOC[C@H]2CCCO2)C1 ZINC001594762258 953503276 /nfs/dbraw/zinc/50/32/76/953503276.db2.gz GDXYTEFOUZPBBN-WDEREUQCSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCCc2nnc[nH]2)c1 ZINC001594765546 953527424 /nfs/dbraw/zinc/52/74/24/953527424.db2.gz KGXAJLNRIROVBB-UHFFFAOYSA-N -1 0 303.278 -0.200 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)C(=O)NCCn2cncn2)cc1 ZINC001594766054 953532096 /nfs/dbraw/zinc/53/20/96/953532096.db2.gz HNLUHMULDSLVPD-UHFFFAOYSA-N -1 0 317.305 -0.591 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2O)c1 ZINC001594766261 953533351 /nfs/dbraw/zinc/53/33/51/953533351.db2.gz OPUNEWQOIIROQI-KCJUWKMLSA-N -1 0 307.306 -0.005 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)C[C@@H]2CN(C)CCO2)C1 ZINC001589282461 953535727 /nfs/dbraw/zinc/53/57/27/953535727.db2.gz RBGOKYAJTLGDEV-WOPDTQHZSA-N -1 0 320.411 -0.311 20 0 DBADRM O=C([O-])[C@H]1CCN1C(=O)CSCC(=O)N1CCOCC1 ZINC000384607679 971938858 /nfs/dbraw/zinc/93/88/58/971938858.db2.gz ACPSNASSNBHZTL-SECBINFHSA-N -1 0 302.352 -0.736 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)C(=O)N2CC[C@](F)(CO)C2)cc1 ZINC001594769215 953550744 /nfs/dbraw/zinc/55/07/44/953550744.db2.gz WTULFZVDQDSGMK-OAHLLOKOSA-N -1 0 324.308 -0.066 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1C[C@H](C)C[C@@H](CO)C1)C(=O)[O-] ZINC001589285820 953568032 /nfs/dbraw/zinc/56/80/32/953568032.db2.gz GZYZRVQCXJBBJI-GMTAPVOTSA-N -1 0 300.355 -0.358 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1C[C@H](C)C[C@H](CO)C1)C(=O)[O-] ZINC001589285821 953569184 /nfs/dbraw/zinc/56/91/84/953569184.db2.gz GZYZRVQCXJBBJI-MXWKQRLJSA-N -1 0 300.355 -0.358 20 0 DBADRM C[C@H]1C[C@H](CO)CN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001589286113 953574577 /nfs/dbraw/zinc/57/45/77/953574577.db2.gz NUQCAQSHGAXHNF-RYUDHWBXSA-N -1 0 318.370 -0.236 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001589288183 953582995 /nfs/dbraw/zinc/58/29/95/953582995.db2.gz BZAUQUVDSTUYNY-BDAKNGLRSA-N -1 0 310.310 -0.410 20 0 DBADRM CCc1cc(NC(=O)C(=O)N[C@H](C(=O)[O-])c2ccnn2C)no1 ZINC001593632838 953584736 /nfs/dbraw/zinc/58/47/36/953584736.db2.gz GPPRHMCBLJJODB-JTQLQIEISA-N -1 0 321.293 -0.149 20 0 DBADRM C[C@@H]1C[C@H](Cn2nnnc2N2CCO[C@@H](C(=O)[O-])C2)[C@H](C)O1 ZINC001589289641 953589259 /nfs/dbraw/zinc/58/92/59/953589259.db2.gz KNXNGZGPIVEIOG-LMLFDSFASA-N -1 0 311.342 -0.224 20 0 DBADRM C[C@@H]1C[C@H](Cn2nnnc2N2CCO[C@H](C(=O)[O-])C2)[C@@H](C)O1 ZINC001589289639 953589334 /nfs/dbraw/zinc/58/93/34/953589334.db2.gz KNXNGZGPIVEIOG-DBIOUOCHSA-N -1 0 311.342 -0.224 20 0 DBADRM C[C@H]1CC(NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@H](C)O1 ZINC001589290297 953595262 /nfs/dbraw/zinc/59/52/62/953595262.db2.gz REBIJZWBXLTYIM-IUCAKERBSA-N -1 0 324.337 -0.022 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NCc2ncccn2)c1 ZINC001594777744 953604936 /nfs/dbraw/zinc/60/49/36/953604936.db2.gz LQJFMRKQWFJLMR-UHFFFAOYSA-N -1 0 301.262 -0.175 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCc2nnc3n2CCC3)C1 ZINC001594778100 953608480 /nfs/dbraw/zinc/60/84/80/953608480.db2.gz YYSOSCYNEBPATO-BDAKNGLRSA-N -1 0 321.337 -0.790 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)[C@H](C)O1 ZINC001589292635 953616950 /nfs/dbraw/zinc/61/69/50/953616950.db2.gz HFLSCFPTSBPVMK-UTLUCORTSA-N -1 0 319.379 -0.052 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)C1 ZINC001594785075 953660480 /nfs/dbraw/zinc/66/04/80/953660480.db2.gz JFCYSFJHFAGSMA-PWSUYJOCSA-N -1 0 324.308 -0.151 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NOC[C@H]1CCOC1)C2 ZINC001594785857 953669826 /nfs/dbraw/zinc/66/98/26/953669826.db2.gz WSKWBBODMQEHEN-KWBADKCTSA-N -1 0 300.311 -0.303 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC001589298670 953670779 /nfs/dbraw/zinc/67/07/79/953670779.db2.gz PYZTZBCDWLYAPP-VHSXEESVSA-N -1 0 309.322 -0.362 20 0 DBADRM C[C@H]1CCC(=O)CN1C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589299046 953676063 /nfs/dbraw/zinc/67/60/63/953676063.db2.gz GYQGIJWQAYDQQF-VIFPVBQESA-N -1 0 317.363 -0.154 20 0 DBADRM CCc1nnc([C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CC(C(=O)[O-])=NO2)[nH]1 ZINC001593651261 953710619 /nfs/dbraw/zinc/71/06/19/953710619.db2.gz PKVCNMRREJZSSJ-YEPSODPASA-N -1 0 323.309 -0.769 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593654404 953737539 /nfs/dbraw/zinc/73/75/39/953737539.db2.gz FFERWSWVZQLGOJ-UHFFFAOYSA-N -1 0 320.309 -0.159 20 0 DBADRM CC[C@]1(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001485315232 1013117114 /nfs/dbraw/zinc/11/71/14/1013117114.db2.gz ZZZINKITYMKPJQ-XPTSAGLGSA-N -1 0 324.385 -0.637 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc3c(n2)CCC3)CCO1 ZINC001594806743 953787618 /nfs/dbraw/zinc/78/76/18/953787618.db2.gz XTQNAJZMVYZCFC-LLVKDONJSA-N -1 0 319.317 -0.179 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CS1(=O)=O ZINC001589311868 953793893 /nfs/dbraw/zinc/79/38/93/953793893.db2.gz COHUFMIBPFPTIQ-FJXKBIBVSA-N -1 0 304.324 -0.702 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)[C@@]2(C(=O)[O-])CCCO2)CS1(=O)=O ZINC001589312488 953801110 /nfs/dbraw/zinc/80/11/10/953801110.db2.gz WYUUOEAJTVCHGS-KBVBSXBZSA-N -1 0 305.352 -0.298 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCC[C@@](O)(CO)C1 ZINC001594810887 953818923 /nfs/dbraw/zinc/81/89/23/953818923.db2.gz NKNCOFUQHWVGQB-HNNXBMFYSA-N -1 0 322.317 -0.331 20 0 DBADRM C[C@@H]1C[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)[C@H](C)O1 ZINC000384856410 971962320 /nfs/dbraw/zinc/96/23/20/971962320.db2.gz GOPXLAWHZYGVMR-KHQFGBGNSA-N -1 0 303.340 -0.188 20 0 DBADRM CCn1cc(C(=O)C(=O)N[C@H](C(=O)[O-])c2ccnn2C)cn1 ZINC001593665495 953836536 /nfs/dbraw/zinc/83/65/36/953836536.db2.gz YJGSMORBEKJNAK-JTQLQIEISA-N -1 0 305.294 -0.239 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N[C@@H](CO)CC1CC1 ZINC001594812037 953839214 /nfs/dbraw/zinc/83/92/14/953839214.db2.gz SQUXAUDTNBICIK-SECBINFHSA-N -1 0 307.306 -0.005 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N2CCC[C@](O)(CO)C2)c1 ZINC001594815009 953850462 /nfs/dbraw/zinc/85/04/62/953850462.db2.gz DULWSNMEMBHJJO-CQSZACIVSA-N -1 0 323.305 -0.936 20 0 DBADRM CCn1ccc(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001593666267 953852893 /nfs/dbraw/zinc/85/28/93/953852893.db2.gz LQNZMXMQQTWXLO-NSHDSACASA-N -1 0 308.338 -0.158 20 0 DBADRM CCn1cccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1=O ZINC001593668002 953862840 /nfs/dbraw/zinc/86/28/40/953862840.db2.gz TVAAGQLTXJPGNH-VIFPVBQESA-N -1 0 307.306 -0.260 20 0 DBADRM C[C@H]1CCCCN1S(=O)(=O)NCCOCCOCC(=O)[O-] ZINC001589321038 953874195 /nfs/dbraw/zinc/87/41/95/953874195.db2.gz ZVNHPLZUOFEGES-NSHDSACASA-N -1 0 324.399 -0.187 20 0 DBADRM CCn1nc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)ccc1=O ZINC001593670702 953879395 /nfs/dbraw/zinc/87/93/95/953879395.db2.gz MVHUZSDBCGQQJF-NSHDSACASA-N -1 0 305.294 -0.448 20 0 DBADRM C[C@H]1CCCN(C(=O)COC(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001589325146 953896623 /nfs/dbraw/zinc/89/66/23/953896623.db2.gz IXLUNPPIPBDBCB-VIFPVBQESA-N -1 0 310.310 -0.222 20 0 DBADRM CN(C(=O)C(=O)NCCC(=O)[O-])[C@H]1CCCc2c1cnn2C ZINC001593674494 953903974 /nfs/dbraw/zinc/90/39/74/953903974.db2.gz TWVHNYCDMCHQDD-JTQLQIEISA-N -1 0 308.338 -0.153 20 0 DBADRM CN(C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)c1cn[nH]c1 ZINC001593675979 953927292 /nfs/dbraw/zinc/92/72/92/953927292.db2.gz YRSMSMDSXOHLAE-UHFFFAOYSA-N -1 0 301.324 -0.348 20 0 DBADRM CN(C(=O)C(=O)Nc1cccc(C(=O)[O-])c1)[C@H]1CCNC1=O ZINC001593676621 953935120 /nfs/dbraw/zinc/93/51/20/953935120.db2.gz RNHHCLZTNCFCKD-JTQLQIEISA-N -1 0 305.290 -0.330 20 0 DBADRM O=C([O-])c1cc(NC(=O)c2cnn(C[C@@H](O)CO)c2)ccn1 ZINC001594826479 953941860 /nfs/dbraw/zinc/94/18/60/953941860.db2.gz PXVJTPQHCJSKKY-SNVBAGLBSA-N -1 0 306.278 -0.418 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cc2ccc(O)c(F)c2)CC1 ZINC001594826931 953945078 /nfs/dbraw/zinc/94/50/78/953945078.db2.gz NYTURFVMVGUFGZ-UHFFFAOYSA-N -1 0 310.281 -0.171 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](O)[C@H](F)C2)C[C@@H]1C(=O)[O-] ZINC001589332513 953953001 /nfs/dbraw/zinc/95/30/01/953953001.db2.gz KXSKPJQAHOBPJD-YTWAJWBKSA-N -1 0 316.329 -0.513 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](O)[C@@H](F)C2)C[C@@H]1C(=O)[O-] ZINC001589332512 953953133 /nfs/dbraw/zinc/95/31/33/953953133.db2.gz KXSKPJQAHOBPJD-RCWTZXSCSA-N -1 0 316.329 -0.513 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@H](O)CC2(O)CCCC2)CC1 ZINC001594828191 953953792 /nfs/dbraw/zinc/95/37/92/953953792.db2.gz GFPZMDIRFOBLOG-LLVKDONJSA-N -1 0 300.355 -0.729 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ccc3oc(=O)[nH]c3c2)CC1 ZINC001594828170 953954479 /nfs/dbraw/zinc/95/44/79/953954479.db2.gz DBRCPWFCLIWKCB-UHFFFAOYSA-N -1 0 319.273 -0.098 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ccn(CC(F)F)n2)CC1 ZINC001594828276 953955179 /nfs/dbraw/zinc/95/51/79/953955179.db2.gz PGUWNMKSTVJIET-UHFFFAOYSA-N -1 0 316.264 -0.483 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1 ZINC001594828247 953955266 /nfs/dbraw/zinc/95/52/66/953955266.db2.gz NJJCCKSJQYLRJX-UHFFFAOYSA-N -1 0 320.305 -0.571 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(CCO)C2CCC2)C[C@H]1C(=O)[O-] ZINC001589332649 953955758 /nfs/dbraw/zinc/95/57/58/953955758.db2.gz OTEDLYRAMFRADG-CMPLNLGQSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(CCO)C2CCC2)C[C@@H]1C(=O)[O-] ZINC001589332652 953956007 /nfs/dbraw/zinc/95/60/07/953956007.db2.gz OTEDLYRAMFRADG-JQWIXIFHSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)N1CCS(=O)(=O)CC1 ZINC001593681403 953956864 /nfs/dbraw/zinc/95/68/64/953956864.db2.gz MFJDBCXFFJFQSR-ZJUUUORDSA-N -1 0 304.368 -0.409 20 0 DBADRM CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001593682260 953967557 /nfs/dbraw/zinc/96/75/57/953967557.db2.gz CJQDRYPCCSCWEJ-AXFHLTTASA-N -1 0 318.395 -0.020 20 0 DBADRM CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001593682261 953967850 /nfs/dbraw/zinc/96/78/50/953967850.db2.gz CJQDRYPCCSCWEJ-HBNTYKKESA-N -1 0 318.395 -0.020 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)C1CCCC1 ZINC001594831645 953971726 /nfs/dbraw/zinc/97/17/26/953971726.db2.gz FXKAJUFLRBSMIP-UWVGGRQHSA-N -1 0 309.322 -0.360 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593683530 953978671 /nfs/dbraw/zinc/97/86/71/953978671.db2.gz BAWCUWDNQLQKQY-UHFFFAOYSA-N -1 0 321.333 -0.405 20 0 DBADRM CN(C)C(=O)/C=C/C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593684196 953984836 /nfs/dbraw/zinc/98/48/36/953984836.db2.gz PYDDJJNOINSXDD-VQCYPWCPSA-N -1 0 311.338 -0.787 20 0 DBADRM CN(C)C(=O)CC1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001593684494 953985789 /nfs/dbraw/zinc/98/57/89/953985789.db2.gz XZDHLSGQJOUIBV-NSHDSACASA-N -1 0 311.338 -0.067 20 0 DBADRM CN(C)C(=O)O[C@@H]1CCCN([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001593686548 953990798 /nfs/dbraw/zinc/99/07/98/953990798.db2.gz KQXQQSFEGOXTEA-MNOVXSKESA-N -1 0 313.354 -0.166 20 0 DBADRM C[C@@H]1CCN(C(=O)C2(CS(C)(=O)=O)COC2)C[C@@H]1C(=O)[O-] ZINC001589335570 953991753 /nfs/dbraw/zinc/99/17/53/953991753.db2.gz HELJMIDQFFEGOY-ZJUUUORDSA-N -1 0 319.379 -0.383 20 0 DBADRM CN(C)C(=O)Cn1nnnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001593686614 953992443 /nfs/dbraw/zinc/99/24/43/953992443.db2.gz BQNBRFWQVGCYED-VHSXEESVSA-N -1 0 308.342 -0.692 20 0 DBADRM C[C@@H]1CCN(C(=O)CCN2CCCS2(=O)=O)C[C@H]1C(=O)[O-] ZINC001589336292 953994471 /nfs/dbraw/zinc/99/44/71/953994471.db2.gz CEGVVLQAMLYVAT-GHMZBOCLSA-N -1 0 318.395 -0.019 20 0 DBADRM CN(C)C(=O)O[C@@H]1CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001593687785 954002261 /nfs/dbraw/zinc/00/22/61/954002261.db2.gz YRIBBAAHWFNMCS-SNVBAGLBSA-N -1 0 322.383 -0.352 20 0 DBADRM O=C([O-])[C@@H](C(=O)NC[C@@]1(O)CCS(=O)(=O)C1)C1CCCC1 ZINC001594834370 954017527 /nfs/dbraw/zinc/01/75/27/954017527.db2.gz ZHTQICZLXGENRK-MFKMUULPSA-N -1 0 319.379 -0.457 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)N1CC(N2CC[C@@H](O)C2)C1)C1CCC1 ZINC001594841181 954083047 /nfs/dbraw/zinc/08/30/47/954083047.db2.gz YBBNPDJJFQNGCA-OLZOCXBDSA-N -1 0 311.382 -0.052 20 0 DBADRM O=C([O-])[C@H](CNC(=O)N1CC(N2CC[C@@H](O)C2)C1)C1CCC1 ZINC001594841180 954083261 /nfs/dbraw/zinc/08/32/61/954083261.db2.gz YBBNPDJJFQNGCA-CHWSQXEVSA-N -1 0 311.382 -0.052 20 0 DBADRM C[C@@H]1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC001589352538 954086560 /nfs/dbraw/zinc/08/65/60/954086560.db2.gz CLNPUKVIGVPZCV-OUAUKWLOSA-N -1 0 318.395 -0.668 20 0 DBADRM C[C@@H]1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC001589352536 954086581 /nfs/dbraw/zinc/08/65/81/954086581.db2.gz CLNPUKVIGVPZCV-GMTAPVOTSA-N -1 0 318.395 -0.668 20 0 DBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](N2C(=O)CNC2=O)C1=O ZINC001594843958 954112241 /nfs/dbraw/zinc/11/22/41/954112241.db2.gz QGFYCTTXGBNFNI-CMPLNLGQSA-N -1 0 317.301 -0.035 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(C(=O)[O-])C2)cn1 ZINC001593707607 954153420 /nfs/dbraw/zinc/15/34/20/954153420.db2.gz UOWOZSZASZOSMI-UHFFFAOYSA-N -1 0 313.335 -0.512 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)C(=O)[O-])n(C)c1 ZINC001593708024 954156216 /nfs/dbraw/zinc/15/62/16/954156216.db2.gz FSMXDSIZTDLPFF-UHFFFAOYSA-N -1 0 318.307 -0.914 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)C1(C(=O)[O-])CCCCC1 ZINC001593708186 954157784 /nfs/dbraw/zinc/15/77/84/954157784.db2.gz JIVCBALZKSFQDF-UHFFFAOYSA-N -1 0 321.399 -0.466 20 0 DBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001593708290 954158655 /nfs/dbraw/zinc/15/86/55/954158655.db2.gz QAECBZOLOKRPGB-GFCCVEGCSA-N -1 0 322.383 -0.231 20 0 DBADRM CN(C)S(=O)(=O)N1CC(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)C1 ZINC001593708266 954158703 /nfs/dbraw/zinc/15/87/03/954158703.db2.gz NXMWSGIUUQYSQE-GFCCVEGCSA-N -1 0 319.383 -0.906 20 0 DBADRM C[C@@H]1CCS(=O)(=O)CCN1CN1C[C@H](C(=O)[O-])CC1=O ZINC001589362904 954164657 /nfs/dbraw/zinc/16/46/57/954164657.db2.gz UCXDSJKDIUSNND-NXEZZACHSA-N -1 0 304.368 -0.614 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN3CCOC[C@@]3(CO)C2)CC=CC1 ZINC001594849361 954167414 /nfs/dbraw/zinc/16/74/14/954167414.db2.gz OJNHFFYQKZKGHZ-AWEZNQCLSA-N -1 0 310.350 -0.687 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N(CCO)CCCO)s1 ZINC000385270072 971992122 /nfs/dbraw/zinc/99/21/22/971992122.db2.gz PUGGFXMEZQRBHZ-UHFFFAOYSA-N -1 0 309.365 -0.188 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2nncn2C)CC[C@@H]1C(=O)[O-] ZINC001589365176 954185402 /nfs/dbraw/zinc/18/54/02/954185402.db2.gz HUXVEQSKYFVPRL-UWVGGRQHSA-N -1 0 323.353 -0.657 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN(Cc3nc[nH]n3)CC2)CC=CC1 ZINC001594851189 954190885 /nfs/dbraw/zinc/19/08/85/954190885.db2.gz DSGILYKQBVVSDN-UHFFFAOYSA-N -1 0 305.338 -0.130 20 0 DBADRM O=C([O-])C1(C(=O)N[C@H](CO)C2CCC2)CCS(=O)(=O)CC1 ZINC001594851708 954198829 /nfs/dbraw/zinc/19/88/29/954198829.db2.gz FNPFEVVDLZAKCL-SNVBAGLBSA-N -1 0 319.379 -0.457 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C[C@]1(C)CO ZINC001589366250 954198757 /nfs/dbraw/zinc/19/87/57/954198757.db2.gz LUKLNYIZRRDEEW-JNIYBQFBSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@H](C)C1O ZINC001589366360 954199660 /nfs/dbraw/zinc/19/96/60/954199660.db2.gz MJLJEDDRKOAYEL-IUCAKERBSA-N -1 0 324.337 -0.619 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CC[C@@H]1O ZINC001589366706 954202045 /nfs/dbraw/zinc/20/20/45/954202045.db2.gz QORHHDFWUZCVQM-KCJUWKMLSA-N -1 0 307.306 -0.052 20 0 DBADRM CN(C)c1nccc(CNCCS(=O)(=O)CC(=O)[O-])n1 ZINC001593715105 954208033 /nfs/dbraw/zinc/20/80/33/954208033.db2.gz DZYYGCSIWHYRIX-UHFFFAOYSA-N -1 0 302.356 -0.868 20 0 DBADRM CN(C)c1ncc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cn1 ZINC001593715263 954210683 /nfs/dbraw/zinc/21/06/83/954210683.db2.gz IYJCAGIMHUMNKP-VIFPVBQESA-N -1 0 307.310 -0.443 20 0 DBADRM CN(C)c1noc(CCC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC001593715294 954211156 /nfs/dbraw/zinc/21/11/56/954211156.db2.gz KXJFQFNJGPLFSO-YMTOWFKASA-N -1 0 324.337 -0.372 20 0 DBADRM CN(CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])CC(C)(C)C ZINC001593716319 954222428 /nfs/dbraw/zinc/22/24/28/954222428.db2.gz IIAMLKGNIPTGAC-JTQLQIEISA-N -1 0 320.411 -0.326 20 0 DBADRM CN(CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])CC(C)(C)C ZINC001593716320 954222663 /nfs/dbraw/zinc/22/26/63/954222663.db2.gz IIAMLKGNIPTGAC-SNVBAGLBSA-N -1 0 320.411 -0.326 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CCS(=O)(=O)C1 ZINC001589373756 954230275 /nfs/dbraw/zinc/23/02/75/954230275.db2.gz XBOBVFBLBSUZEO-IONNQARKSA-N -1 0 304.324 -0.891 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)CCCCC1 ZINC001594856066 954235382 /nfs/dbraw/zinc/23/53/82/954235382.db2.gz GRDFJPAWQIVDQE-LBPRGKRZSA-N -1 0 319.379 -0.313 20 0 DBADRM O=C([O-])C1(C(=O)N[C@H]2CC[C@@H](O)[C@@H](O)C2)CCSCC1 ZINC001594856183 954236720 /nfs/dbraw/zinc/23/67/20/954236720.db2.gz LYBCZXCINOFGAW-AEJSXWLSSA-N -1 0 303.380 -0.025 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NC[C@@H](CO)Cc2cccnc2)CCCO1 ZINC001594856265 954237322 /nfs/dbraw/zinc/23/73/22/954237322.db2.gz RMKFGIAUDHCCLP-WFASDCNBSA-N -1 0 308.334 -0.017 20 0 DBADRM CN(CC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001593719010 954238761 /nfs/dbraw/zinc/23/87/61/954238761.db2.gz HPFOAUDXZWQNHR-GARJFASQSA-N -1 0 318.395 -0.525 20 0 DBADRM CN(CC(=O)Nc1cc(C(=O)[O-])n[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC001593719527 954243388 /nfs/dbraw/zinc/24/33/88/954243388.db2.gz VBLKKNPSPAKJDJ-SSDOTTSWSA-N -1 0 316.339 -0.835 20 0 DBADRM CN(CC(=O)[O-])Cc1cn(Cc2noc3c2COCC3)nn1 ZINC001593722297 954258324 /nfs/dbraw/zinc/25/83/24/954258324.db2.gz ACNWLWDETHOLJL-UHFFFAOYSA-N -1 0 307.310 -0.097 20 0 DBADRM CN(CC(=O)[O-])Cc1cn(C[C@H]2CCCS(=O)(=O)C2)nn1 ZINC001593722345 954258920 /nfs/dbraw/zinc/25/89/20/954258920.db2.gz BVHNZLQYVYKQSD-SNVBAGLBSA-N -1 0 316.383 -0.381 20 0 DBADRM CN(CC(=O)[O-])Cc1cn(Cc2n[nH]c3c2COCC3)nn1 ZINC001593723039 954264152 /nfs/dbraw/zinc/26/41/52/954264152.db2.gz YTWXRQVOMMDYNJ-UHFFFAOYSA-N -1 0 306.326 -0.361 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@H]2CCCS(=O)(=O)C2)CCOCC1 ZINC001594859384 954264428 /nfs/dbraw/zinc/26/44/28/954264428.db2.gz HGGNCGBFWRHJLK-SNVBAGLBSA-N -1 0 319.379 -0.191 20 0 DBADRM O=C([O-])[C@]1(C(=O)NC[C@H]2CCCCS2(=O)=O)CCCO1 ZINC001594859803 954267694 /nfs/dbraw/zinc/26/76/94/954267694.db2.gz OCDKHKFMOMFZTC-BXKDBHETSA-N -1 0 305.352 -0.296 20 0 DBADRM O=C([O-])[C@]1(C(=O)NC[C@@H]2CCCCS2(=O)=O)CCCO1 ZINC001594859805 954268122 /nfs/dbraw/zinc/26/81/22/954268122.db2.gz OCDKHKFMOMFZTC-JOYOIKCWSA-N -1 0 305.352 -0.296 20 0 DBADRM CN(CC(=O)OCC(=O)C(=O)[O-])S(=O)(=O)c1ccccc1 ZINC001593724043 954268493 /nfs/dbraw/zinc/26/84/93/954268493.db2.gz HVEIESNCBGPWJK-UHFFFAOYSA-N -1 0 315.303 -0.496 20 0 DBADRM CN(CC(=O)OCC1(C(=O)[O-])CCOCC1)S(C)(=O)=O ZINC001593724518 954271813 /nfs/dbraw/zinc/27/18/13/954271813.db2.gz WGMLDVLKBCIGJB-UHFFFAOYSA-N -1 0 309.340 -0.698 20 0 DBADRM CN(CC1CC1)C(=O)COC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593726627 954277608 /nfs/dbraw/zinc/27/76/08/954277608.db2.gz NNHQYQHPWQJEJB-UHFFFAOYSA-N -1 0 322.317 -0.042 20 0 DBADRM CN(CC1=CCCOC1)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593726758 954280019 /nfs/dbraw/zinc/28/00/19/954280019.db2.gz UFZOLJAEQYOCLY-UHFFFAOYSA-N -1 0 322.321 -0.289 20 0 DBADRM CN(C[C@H](O)c1cccnc1)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001593726721 954280046 /nfs/dbraw/zinc/28/00/46/954280046.db2.gz GZPHFYRNPTVZHK-NSHDSACASA-N -1 0 305.294 -0.437 20 0 DBADRM CN(CC(N)=O)C(=O)c1cccc(NC(=O)NCC(=O)[O-])c1 ZINC001593727690 954292685 /nfs/dbraw/zinc/29/26/85/954292685.db2.gz LTYOPYHCXIUMDC-UHFFFAOYSA-N -1 0 308.294 -0.550 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001593727859 954294174 /nfs/dbraw/zinc/29/41/74/954294174.db2.gz QFXPROWOFUSRNP-FRRDWIJNSA-N -1 0 314.382 -0.361 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NCc2ccnc(-n3cncn3)c2)CCCO1 ZINC001594863395 954298376 /nfs/dbraw/zinc/29/83/76/954298376.db2.gz IHUQMYYGUSXIDT-AWEZNQCLSA-N -1 0 317.305 -0.088 20 0 DBADRM C[C@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC001589383992 954300515 /nfs/dbraw/zinc/30/05/15/954300515.db2.gz SEZWIRMQYAMRGW-BQBZGAKWSA-N -1 0 316.339 -0.760 20 0 DBADRM O=C([O-])C1(C(=O)NCCn2ccnc2)CCS(=O)(=O)CC1 ZINC001594863552 954300517 /nfs/dbraw/zinc/30/05/17/954300517.db2.gz JXBYKXDSYASMEN-UHFFFAOYSA-N -1 0 315.351 -0.721 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@@H](C(C)(C)O)C1 ZINC001593731384 954319333 /nfs/dbraw/zinc/31/93/33/954319333.db2.gz LYUZQEFCSTWXNK-SNVBAGLBSA-N -1 0 300.355 -0.071 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC001593731279 954319501 /nfs/dbraw/zinc/31/95/01/954319501.db2.gz IOOKJVNQEUVJII-UHFFFAOYSA-N -1 0 318.293 -0.466 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H]2CCCOC2)CCS(=O)(=O)CC1 ZINC001594868810 954328135 /nfs/dbraw/zinc/32/81/35/954328135.db2.gz KPEKDOZHFDEPGS-SECBINFHSA-N -1 0 305.352 -0.439 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC001593733289 954329578 /nfs/dbraw/zinc/32/95/78/954329578.db2.gz TVTBRLJHXVCOIC-UHFFFAOYSA-N -1 0 319.317 -0.156 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001593734756 954331442 /nfs/dbraw/zinc/33/14/42/954331442.db2.gz CDRGGEXQHJLDQS-GFCCVEGCSA-N -1 0 301.299 -0.676 20 0 DBADRM CN(CCC(=O)[O-])C(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001593736341 954339547 /nfs/dbraw/zinc/33/95/47/954339547.db2.gz HIACBSOMRDMFPB-UHFFFAOYSA-N -1 0 316.339 -0.936 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000385663776 972007571 /nfs/dbraw/zinc/00/75/71/972007571.db2.gz GXXPGECIFSEPTP-UHFFFAOYSA-N -1 0 316.339 -0.988 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC001593743902 954368662 /nfs/dbraw/zinc/36/86/62/954368662.db2.gz LWJRUXBRGHGWHI-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM CN(CCCNC(=O)c1cc(C(=O)[O-])n[nH]1)S(C)(=O)=O ZINC001593750434 954400258 /nfs/dbraw/zinc/40/02/58/954400258.db2.gz RQOHPRJLBJOLQU-UHFFFAOYSA-N -1 0 304.328 -0.881 20 0 DBADRM C[C@H]1OCC[C@]12CN(CCS(=O)(=O)CC(=O)[O-])C[C@@H](C)O2 ZINC001589399342 954401023 /nfs/dbraw/zinc/40/10/23/954401023.db2.gz CWFFQJQXCMXFMT-WZRBSPASSA-N -1 0 321.395 -0.246 20 0 DBADRM CN(CCNC(=O)C1(C(=O)[O-])CCC1)CCS(C)(=O)=O ZINC001593751565 954419687 /nfs/dbraw/zinc/41/96/87/954419687.db2.gz XYASWSRVXISIJO-UHFFFAOYSA-N -1 0 306.384 -0.666 20 0 DBADRM C[C@@H]1CN(CCS(=O)(=O)CC(=O)[O-])CCN(C2CC2)C1 ZINC001589400604 954422456 /nfs/dbraw/zinc/42/24/56/954422456.db2.gz QVRHPNKAMSNEQM-LLVKDONJSA-N -1 0 304.412 -0.098 20 0 DBADRM CN(CCOCCO)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001593753585 954429316 /nfs/dbraw/zinc/42/93/16/954429316.db2.gz BUIAZJFFCXNMPB-NSHDSACASA-N -1 0 316.354 -0.833 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)C1 ZINC001594884944 954454225 /nfs/dbraw/zinc/45/42/25/954454225.db2.gz BBNPLHZJINBOCT-GMSGAONNSA-N -1 0 321.293 -0.574 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC001594884935 954454302 /nfs/dbraw/zinc/45/43/02/954454302.db2.gz AZDRQGCGKOKCFK-JQWIXIFHSA-N -1 0 323.349 -0.019 20 0 DBADRM CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001593756671 954455832 /nfs/dbraw/zinc/45/58/32/954455832.db2.gz BLXMAZRZGUDPTC-ADEWGFFLSA-N -1 0 312.366 -0.167 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCC[C@H](N3CCCC3=O)C2)C1 ZINC001594885571 954459510 /nfs/dbraw/zinc/45/95/10/954459510.db2.gz KJNNGOFPPQRYEN-ONGXEEELSA-N -1 0 309.322 -0.171 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)C1 ZINC001594885812 954461623 /nfs/dbraw/zinc/46/16/23/954461623.db2.gz NCIYWNOYFONQAG-IMTBSYHQSA-N -1 0 322.277 -0.567 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCC(Cn3cncn3)CC2)C1 ZINC001594886249 954464623 /nfs/dbraw/zinc/46/46/23/954464623.db2.gz RQPPRBOMHDNJOC-NSHDSACASA-N -1 0 307.310 -0.254 20 0 DBADRM C[C@H]1CN=C(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)S1 ZINC001589406838 954467568 /nfs/dbraw/zinc/46/75/68/954467568.db2.gz LOHWIMQCWXSMNS-ZETCQYMHSA-N -1 0 320.392 -0.127 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589407423 954473293 /nfs/dbraw/zinc/47/32/93/954473293.db2.gz SKNALWDIZTWJIY-KWQFWETISA-N -1 0 323.305 -0.674 20 0 DBADRM C[C@@H]1COC[C@H]1NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589408109 954482689 /nfs/dbraw/zinc/48/26/89/954482689.db2.gz FCESBLLPFYQONZ-OUAUKWLOSA-N -1 0 313.354 -0.214 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@@H](CO)Cc2ccc(O)cc2)C1 ZINC001594888896 954494616 /nfs/dbraw/zinc/49/46/16/954494616.db2.gz HLNQSFQYKIEYHW-SKDRFNHKSA-N -1 0 308.290 -0.359 20 0 DBADRM C[C@@H]1COCC[C@@H]1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC001589409101 954501431 /nfs/dbraw/zinc/50/14/31/954501431.db2.gz QXJLPPDDOVIRNB-ZJUUUORDSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC001594889615 954504019 /nfs/dbraw/zinc/50/40/19/954504019.db2.gz JAKVDDGNPUTCPL-CYBMUJFWSA-N -1 0 318.333 -0.045 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC001594889648 954505702 /nfs/dbraw/zinc/50/57/02/954505702.db2.gz LIWUWOVYYHHMLB-SECBINFHSA-N -1 0 302.250 -0.170 20 0 DBADRM C[C@@H]1COCCCN1C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589409703 954508523 /nfs/dbraw/zinc/50/85/23/954508523.db2.gz YIJMTPIWZMTYCE-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM CN(Cc1nccn1C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593765394 954513007 /nfs/dbraw/zinc/51/30/07/954513007.db2.gz OAWUTSFAPCPAIP-JTQLQIEISA-N -1 0 308.338 -0.298 20 0 DBADRM CN(Cc1nncn1C)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001593765457 954514307 /nfs/dbraw/zinc/51/43/07/954514307.db2.gz QELNUGOHSZCVPG-UHFFFAOYSA-N -1 0 318.293 -0.495 20 0 DBADRM CN(Cc1nccs1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001593765478 954514692 /nfs/dbraw/zinc/51/46/92/954514692.db2.gz QYAWEGFVJSOQTL-QMMMGPOBSA-N -1 0 313.335 -0.587 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593768866 954536022 /nfs/dbraw/zinc/53/60/22/954536022.db2.gz KONUGGGLCVUKFK-ZJUUUORDSA-N -1 0 311.338 -0.811 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NC[C@@H](O)COc2ccccc2)C1 ZINC001594892014 954540905 /nfs/dbraw/zinc/54/09/05/954540905.db2.gz PWNXAEKJJJLPQZ-BXKDBHETSA-N -1 0 308.290 -0.228 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCCN=S2(=O)CCCC2)C1 ZINC001594892295 954544234 /nfs/dbraw/zinc/54/42/34/954544234.db2.gz RKIBIKQJTGBABD-VIFPVBQESA-N -1 0 303.340 -0.406 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589415617 954547257 /nfs/dbraw/zinc/54/72/57/954547257.db2.gz JQSRKSZRBHHSHK-NRPADANISA-N -1 0 313.310 -0.935 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCCc2nnc3n2CCCCC3)C1 ZINC001594893266 954552254 /nfs/dbraw/zinc/55/22/54/954552254.db2.gz ZAPABQURQQYDIS-JTQLQIEISA-N -1 0 321.337 -0.107 20 0 DBADRM CN1C[C@H](CCn2nnnc2N2CC[C@H](C(=O)[O-])C2)CC1=O ZINC001593772656 954555458 /nfs/dbraw/zinc/55/54/58/954555458.db2.gz NYLACMHSZRVVMX-ZJUUUORDSA-N -1 0 308.342 -0.548 20 0 DBADRM CN1C[C@@H](CCn2nnnc2N2CC[C@@H](C(=O)[O-])C2)CC1=O ZINC001593772655 954555774 /nfs/dbraw/zinc/55/57/74/954555774.db2.gz NYLACMHSZRVVMX-VHSXEESVSA-N -1 0 308.342 -0.548 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589416790 954556810 /nfs/dbraw/zinc/55/68/10/954556810.db2.gz QTARMWHVSRFMSS-YMTOWFKASA-N -1 0 310.306 -0.797 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589416787 954557360 /nfs/dbraw/zinc/55/73/60/954557360.db2.gz QTARMWHVSRFMSS-LKFCYVNXSA-N -1 0 310.306 -0.797 20 0 DBADRM CN1C[C@@H](C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)CC1=O ZINC001593773109 954560320 /nfs/dbraw/zinc/56/03/20/954560320.db2.gz ZLFNERYKAHOSSQ-ZETCQYMHSA-N -1 0 308.294 -0.472 20 0 DBADRM CN1C[C@@H](O)C[C@@H]1c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1C ZINC001593773487 954562581 /nfs/dbraw/zinc/56/25/81/954562581.db2.gz GQZNWYGUOUGLDZ-OUAUKWLOSA-N -1 0 309.370 -0.146 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001594895743 954562609 /nfs/dbraw/zinc/56/26/09/954562609.db2.gz HOZFFENRSPOPNY-NSHDSACASA-N -1 0 320.349 -0.193 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001594896106 954567747 /nfs/dbraw/zinc/56/77/47/954567747.db2.gz MGXCCYPEXKLWEV-MWLCHTKSSA-N -1 0 323.349 -0.953 20 0 DBADRM CN1C2(CCC2)COC[C@]1(CO)CNC(=O)CCC(=O)[O-] ZINC001593774128 954577424 /nfs/dbraw/zinc/57/74/24/954577424.db2.gz NQCCJQQBMUOYHT-CQSZACIVSA-N -1 0 300.355 -0.417 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589418336 954577549 /nfs/dbraw/zinc/57/75/49/954577549.db2.gz YPYAQAVMDBSTBP-UOKLYIGXSA-N -1 0 324.337 -0.166 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)NCCCCCC(=O)[O-])C[C@H]2C1=O ZINC001593774190 954578238 /nfs/dbraw/zinc/57/82/38/954578238.db2.gz PCAWOIOAWAMVKP-AOOOYVTPSA-N -1 0 311.338 -0.112 20 0 DBADRM CN1C[C@H](NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCC1=O ZINC001593774368 954581379 /nfs/dbraw/zinc/58/13/79/954581379.db2.gz PYEPPLFNOGSXTD-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@@H]1c2nncn2CCN1C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001589418748 954581902 /nfs/dbraw/zinc/58/19/02/954581902.db2.gz YLEFKSCHLCIDOZ-ZJUUUORDSA-N -1 0 321.337 -0.496 20 0 DBADRM CN1CC[C@@H](C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)C1=O ZINC001593775025 954594531 /nfs/dbraw/zinc/59/45/31/954594531.db2.gz YOJIZGOWHBUXAA-ZETCQYMHSA-N -1 0 308.294 -0.472 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CCC[C@H]2CN2CCOCC2)C1 ZINC001594898929 954597658 /nfs/dbraw/zinc/59/76/58/954597658.db2.gz VFLDWGQDIKEEFE-STQMWFEESA-N -1 0 311.382 -0.326 20 0 DBADRM CN1CC[C@H]1CNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593777602 954607311 /nfs/dbraw/zinc/60/73/11/954607311.db2.gz BPIJMQDJGMEGJQ-LBPRGKRZSA-N -1 0 305.334 -0.179 20 0 DBADRM CN1CCC2(CCN(CCS(=O)(=O)CC(=O)[O-])CC2)C1=O ZINC001593778656 954618178 /nfs/dbraw/zinc/61/81/78/954618178.db2.gz AKCAXCCUHNHSND-UHFFFAOYSA-N -1 0 318.395 -0.570 20 0 DBADRM CN1CCC[C@@H](NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1=O ZINC001593780782 954656372 /nfs/dbraw/zinc/65/63/72/954656372.db2.gz LFTYBFBDXGZJKO-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001589436181 954688925 /nfs/dbraw/zinc/68/89/25/954688925.db2.gz ZNRUUQPRBRCHFI-GFCCVEGCSA-N -1 0 320.349 -0.047 20 0 DBADRM O=C([O-])C1CCC(NC(=O)N(CCO)CCOCCO)CC1 ZINC001594908406 954697085 /nfs/dbraw/zinc/69/70/85/954697085.db2.gz KLRDABVAWPDJJH-UHFFFAOYSA-N -1 0 318.370 -0.357 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)C(=O)Nc1cc2n(n1)CCN(C)C2 ZINC001593786998 954713805 /nfs/dbraw/zinc/71/38/05/954713805.db2.gz UMXMQKITHRCOJH-UHFFFAOYSA-N -1 0 323.353 -0.410 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC001593787302 954720745 /nfs/dbraw/zinc/72/07/45/954720745.db2.gz AWERRFOLKKEGNT-SNVBAGLBSA-N -1 0 306.384 -0.509 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C1 ZINC001593787519 954724832 /nfs/dbraw/zinc/72/48/32/954724832.db2.gz NHQZRSZZXICTIB-GARJFASQSA-N -1 0 306.384 -0.510 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001593787612 954725968 /nfs/dbraw/zinc/72/59/68/954725968.db2.gz RTNVRDAJRXLKGR-VIFPVBQESA-N -1 0 322.321 -0.835 20 0 DBADRM CN1CCOC[C@]1(CO)CNC(=O)Nc1cccnc1C(=O)[O-] ZINC001593787686 954729079 /nfs/dbraw/zinc/72/90/79/954729079.db2.gz VYIHNMIHJQIIMP-CQSZACIVSA-N -1 0 324.337 -0.406 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N(CCO)CC(F)F)CC1 ZINC001594915009 954737821 /nfs/dbraw/zinc/73/78/21/954737821.db2.gz CKWZLYOPUGJTDJ-UHFFFAOYSA-N -1 0 308.281 -0.604 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)Cn1cc(S(=O)(=O)N(C)C)cn1 ZINC001589443605 954737590 /nfs/dbraw/zinc/73/75/90/954737590.db2.gz LPZLUHVKPIYXBS-JTQLQIEISA-N -1 0 304.372 -0.114 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593788333 954739599 /nfs/dbraw/zinc/73/95/99/954739599.db2.gz ATKPZKBSUHCLDL-VHSXEESVSA-N -1 0 313.354 -0.850 20 0 DBADRM CN=[S@](C)(=O)CCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593788798 954747211 /nfs/dbraw/zinc/74/72/11/954747211.db2.gz YRPCUSIJXFQTTJ-OAQYLSRUSA-N -1 0 315.351 -0.610 20 0 DBADRM CNC(=O)C1(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001593789649 954753642 /nfs/dbraw/zinc/75/36/42/954753642.db2.gz ZUYZBYLSHDQHBF-VIFPVBQESA-N -1 0 311.338 -0.906 20 0 DBADRM CNC(=O)CCCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC001593790594 954754453 /nfs/dbraw/zinc/75/44/53/954754453.db2.gz BSMIEBXFVHKAQS-SECBINFHSA-N -1 0 301.343 -0.660 20 0 DBADRM CC[C@H](C(=O)[O-])N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001589446000 954760849 /nfs/dbraw/zinc/76/08/49/954760849.db2.gz CQRXCGVMVNCRRC-SECBINFHSA-N -1 0 302.356 -0.421 20 0 DBADRM CNC(=O)[C@H]1CCCCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593792377 954767187 /nfs/dbraw/zinc/76/71/87/954767187.db2.gz XKYFYOBGXCYDJW-LLVKDONJSA-N -1 0 321.333 -0.326 20 0 DBADRM CC[C@H](C(=O)OC)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC001589446594 954767516 /nfs/dbraw/zinc/76/75/16/954767516.db2.gz DJGQNBCFPZCULN-SCZZXKLOSA-N -1 0 302.327 -0.377 20 0 DBADRM CNC(=O)COc1cccc(CNC(=O)[C@@](C)(OC)C(=O)[O-])c1 ZINC001593792880 954771583 /nfs/dbraw/zinc/77/15/83/954771583.db2.gz GIIIFXPKDORQJA-OAHLLOKOSA-N -1 0 324.333 -0.083 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC001593792869 954771840 /nfs/dbraw/zinc/77/18/40/954771840.db2.gz FWFMSYHRLAGVSH-UHFFFAOYSA-N -1 0 304.266 -0.630 20 0 DBADRM CNC(=O)NCCC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001593792922 954771878 /nfs/dbraw/zinc/77/18/78/954771878.db2.gz GSWBASZCIRKLKL-OPASDULOSA-N -1 0 313.354 -0.166 20 0 DBADRM CNC(=O)NCCC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001593792923 954772448 /nfs/dbraw/zinc/77/24/48/954772448.db2.gz GSWBASZCIRKLKL-XIRUVYRFSA-N -1 0 313.354 -0.166 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]23CCOC3=O)C1 ZINC001594917615 954772498 /nfs/dbraw/zinc/77/24/98/954772498.db2.gz UVCMBDXRKOUUDZ-YMTOWFKASA-N -1 0 310.306 -0.772 20 0 DBADRM CNC(=O)OC[C@H]1CCCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001593793304 954778843 /nfs/dbraw/zinc/77/88/43/954778843.db2.gz OLPIAUHWLLNIEO-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)n1 ZINC001593793290 954779458 /nfs/dbraw/zinc/77/94/58/954779458.db2.gz KVDLHAYGJUSYHE-JTQLQIEISA-N -1 0 309.326 -0.146 20 0 DBADRM CNC(=O)[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(C)C ZINC001593793267 954779624 /nfs/dbraw/zinc/77/96/24/954779624.db2.gz NOWUBMHTUFSYCC-IUCAKERBSA-N -1 0 307.372 -0.860 20 0 DBADRM CC[C@](C)(CO)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589450314 954793244 /nfs/dbraw/zinc/79/32/44/954793244.db2.gz BPZKCRXEMSGFKF-IINYFYTJSA-N -1 0 300.355 -0.023 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)[C@@H](C(=O)[O-])C(C)C)CCO1 ZINC001593794514 954795660 /nfs/dbraw/zinc/79/56/60/954795660.db2.gz AYJKWECIZPEPHO-UWVGGRQHSA-N -1 0 301.343 -0.500 20 0 DBADRM CNC(=O)c1ccc(C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])cn1 ZINC001593794563 954797061 /nfs/dbraw/zinc/79/70/61/954797061.db2.gz NJSGSYNKAPVNFR-JTQLQIEISA-N -1 0 323.305 -0.423 20 0 DBADRM CNC(=O)c1cc2cc(NC(=O)C(=O)NCC(=O)[O-])ccc2[nH]1 ZINC001593794795 954800038 /nfs/dbraw/zinc/80/00/38/954800038.db2.gz YTUOUNSPDAKAHF-UHFFFAOYSA-N -1 0 318.289 -0.333 20 0 DBADRM CNC(=O)NC[C@@H]1CCCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001593795080 954802646 /nfs/dbraw/zinc/80/26/46/954802646.db2.gz NICIVFYCQFFVMH-QWRGUYRKSA-N -1 0 312.370 -0.545 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593795408 954806406 /nfs/dbraw/zinc/80/64/06/954806406.db2.gz VCWHRXVKXDSJKL-AEJSXWLSSA-N -1 0 314.342 -0.811 20 0 DBADRM CNC(=O)c1ccc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001593796855 954811672 /nfs/dbraw/zinc/81/16/72/954811672.db2.gz NBXQGAOUVIMVHP-JTQLQIEISA-N -1 0 321.289 -0.717 20 0 DBADRM CNC(=O)c1cccnc1N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001593797650 954822114 /nfs/dbraw/zinc/82/21/14/954822114.db2.gz VLCJIVZGQRGIIM-CQSZACIVSA-N -1 0 309.322 -0.252 20 0 DBADRM CNS(=O)(=O)CCNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001593798228 954829051 /nfs/dbraw/zinc/82/90/51/954829051.db2.gz PBRYGEYZHKKQPP-UHFFFAOYSA-N -1 0 316.335 -0.571 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001593798262 954829439 /nfs/dbraw/zinc/82/94/39/954829439.db2.gz QJVZPQPRTHRKIN-VHSXEESVSA-N -1 0 321.399 -0.322 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@@H](C)CC(=O)[O-])C1 ZINC001593798242 954829852 /nfs/dbraw/zinc/82/98/52/954829852.db2.gz PQOBEZUVXBBPGZ-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM CNC(=O)c1cccc(C(=O)Nc2ccn(CC(=O)[O-])n2)n1 ZINC001593798434 954834094 /nfs/dbraw/zinc/83/40/94/954834094.db2.gz CBTBPYWRGOLSDH-UHFFFAOYSA-N -1 0 303.278 -0.025 20 0 DBADRM CC[C@H](C)[C@@H](OC)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001589457088 954836178 /nfs/dbraw/zinc/83/61/78/954836178.db2.gz FEKVOMZRXOSLAR-LPEHRKFASA-N -1 0 307.368 -0.242 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H](CO)[C@@H]2CCOC2)CC1 ZINC001594935271 954853986 /nfs/dbraw/zinc/85/39/86/954853986.db2.gz LJOYEADSUSYYSO-MNOVXSKESA-N -1 0 322.383 -0.985 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC001589458836 954854040 /nfs/dbraw/zinc/85/40/40/954854040.db2.gz MYOHBQCUUCMNBB-NSHDSACASA-N -1 0 311.382 -0.090 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)CCCN2CCOCC2)CC1 ZINC001594935416 954854992 /nfs/dbraw/zinc/85/49/92/954854992.db2.gz QXIDPOWGFDAOEZ-UHFFFAOYSA-N -1 0 320.411 -0.165 20 0 DBADRM CC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589459273 954858974 /nfs/dbraw/zinc/85/89/74/954858974.db2.gz ZLYUTULNGWALGM-GUBZILKMSA-N -1 0 321.399 -0.327 20 0 DBADRM CNc1nc(C)cc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)n1 ZINC001593803485 954866885 /nfs/dbraw/zinc/86/68/85/954866885.db2.gz CJKNRUNLFNYFDH-SECBINFHSA-N -1 0 308.294 -0.331 20 0 DBADRM CNc1cnc(C(=O)N2CCO[C@](COC)(C(=O)[O-])C2)cn1 ZINC001593803538 954868275 /nfs/dbraw/zinc/86/82/75/954868275.db2.gz HALBAGKDNFUPTH-CYBMUJFWSA-N -1 0 310.310 -0.540 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)N2CC[C@@](O)(C(=O)[O-])C2)s1 ZINC000386383606 972049168 /nfs/dbraw/zinc/04/91/68/972049168.db2.gz ANLLFPQKVLKSEA-ZDUSSCGKSA-N -1 0 312.347 -0.166 20 0 DBADRM CNc1cnc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cn1 ZINC001593803785 954872539 /nfs/dbraw/zinc/87/25/39/954872539.db2.gz WWQUCFWGDQHPNF-MRVPVSSYSA-N -1 0 309.326 -0.430 20 0 DBADRM CNc1ncc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])s1 ZINC001593803822 954873157 /nfs/dbraw/zinc/87/31/57/954873157.db2.gz YRZJWMIUGQTFPK-LURJTMIESA-N -1 0 319.364 -0.491 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2CCCO[C@H]2CCOC2)C1 ZINC001594940270 954877314 /nfs/dbraw/zinc/87/73/14/954877314.db2.gz APKUWFKAFWAVIW-MNOVXSKESA-N -1 0 311.342 -0.220 20 0 DBADRM COC(=O)C(C)(C)N1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001593804346 954882669 /nfs/dbraw/zinc/88/26/69/954882669.db2.gz RCQBANPBYCHDCP-UHFFFAOYSA-N -1 0 324.337 -0.183 20 0 DBADRM O=C([O-])C1CN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)C1 ZINC001594941563 954899364 /nfs/dbraw/zinc/89/93/64/954899364.db2.gz UFAXMBQXAVYXFG-CHWSQXEVSA-N -1 0 322.361 -0.029 20 0 DBADRM COC(=O)[C@H](CNC(=O)[C@@H]1CC(C(=O)[O-])=NO1)[C@@H]1CCOC1 ZINC001593806213 954908726 /nfs/dbraw/zinc/90/87/26/954908726.db2.gz GWZAMMCGCSPQCF-MRTMQBJTSA-N -1 0 314.294 -0.842 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001593808735 954920076 /nfs/dbraw/zinc/92/00/76/954920076.db2.gz WGSYTYFSWMVZQW-PSASIEDQSA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001593808738 954920139 /nfs/dbraw/zinc/92/01/39/954920139.db2.gz WGSYTYFSWMVZQW-SCZZXKLOSA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)[C@H](COC1CCC1)N(C)C(=O)[C@H](OC)C(=O)[O-] ZINC001593809819 954924425 /nfs/dbraw/zinc/92/44/25/954924425.db2.gz BYRWULWKYPQGSC-UWVGGRQHSA-N -1 0 303.311 -0.345 20 0 DBADRM COC(=O)[C@@H](Cn1cncn1)NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001593809954 954925719 /nfs/dbraw/zinc/92/57/19/954925719.db2.gz CORGNQXZDKIVGK-AMIZOPFISA-N -1 0 310.310 -0.563 20 0 DBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001593810791 954936451 /nfs/dbraw/zinc/93/64/51/954936451.db2.gz KNZRWPOCSJXRHH-DTWKUNHWSA-N -1 0 312.326 -0.317 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H](C2)S3(=O)=O)CCO1 ZINC001594948440 954939048 /nfs/dbraw/zinc/93/90/48/954939048.db2.gz WBBLIUDGEFMVEQ-CHWFTXMASA-N -1 0 317.363 -0.346 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H](CO)CN1CCOCC1 ZINC001589474493 954949265 /nfs/dbraw/zinc/94/92/65/954949265.db2.gz XUSLUACDFFAPKH-LLVKDONJSA-N -1 0 302.371 -0.313 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)NCc1nnc2n1CCN(C)C2=O ZINC001589475630 954956358 /nfs/dbraw/zinc/95/63/58/954956358.db2.gz DGBSRMMKDPSXKV-UHFFFAOYSA-N -1 0 323.353 -0.129 20 0 DBADRM COC(=O)[C@@]1(C)CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001593812400 954958167 /nfs/dbraw/zinc/95/81/67/954958167.db2.gz CMDCPAPDOWBONL-LBPRGKRZSA-N -1 0 307.368 -0.239 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cn(-c3cccnc3)nn2)CCO1 ZINC001594951792 954958779 /nfs/dbraw/zinc/95/87/79/954958779.db2.gz ZBYMRAMBKWQKKN-LLVKDONJSA-N -1 0 303.278 -0.412 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)NCc1nnc2c(=O)n(C)ccn12 ZINC001589476135 954959805 /nfs/dbraw/zinc/95/98/05/954959805.db2.gz ZKZBXWUTSCBDLS-UHFFFAOYSA-N -1 0 321.337 -0.065 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001589476078 954960145 /nfs/dbraw/zinc/96/01/45/954960145.db2.gz WEBNDFFJJNTLIU-UHFFFAOYSA-N -1 0 307.310 -0.075 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2CC[C@H]2CCCCO2)CCO1 ZINC001594954506 954975887 /nfs/dbraw/zinc/97/58/87/954975887.db2.gz HLHYTDVKKZHTQE-GHMZBOCLSA-N -1 0 311.342 -0.078 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)CCC1 ZINC001593814280 954983821 /nfs/dbraw/zinc/98/38/21/954983821.db2.gz MMCMCESJLYZORP-MRVPVSSYSA-N -1 0 307.324 -0.803 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)CCOCC(F)(F)F)CCO1 ZINC001594955034 954984849 /nfs/dbraw/zinc/98/48/49/954984849.db2.gz QZJNAHLUKUBBIF-ZETCQYMHSA-N -1 0 321.273 -0.320 20 0 DBADRM CC(C)C(=O)N1CCC(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)CC1 ZINC000386497298 972059642 /nfs/dbraw/zinc/05/96/42/972059642.db2.gz CBSVRRGXRWEZSD-HNNXBMFYSA-N -1 0 312.366 -0.071 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001593815076 954995309 /nfs/dbraw/zinc/99/53/09/954995309.db2.gz BDZVSQPRRINXCX-ZDCRXTMVSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001593815073 954995585 /nfs/dbraw/zinc/99/55/85/954995585.db2.gz BDZVSQPRRINXCX-LNFKQOIKSA-N -1 0 314.338 -0.195 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C[C@H]1CCCC[C@@H]1O ZINC001594960009 955005302 /nfs/dbraw/zinc/00/53/02/955005302.db2.gz MLCBQAZEKKCNJV-MXWKQRLJSA-N -1 0 319.379 -0.362 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCCOCC1 ZINC001594959987 955005442 /nfs/dbraw/zinc/00/54/42/955005442.db2.gz LRRRYXVMDHXAMZ-NXEZZACHSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(Cl)no1 ZINC001594960033 955006118 /nfs/dbraw/zinc/00/61/18/955006118.db2.gz MXGVFJJERDPOEL-RXMQYKEDSA-N -1 0 308.699 -0.348 20 0 DBADRM COC(=O)C12CC(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)(C1)C2 ZINC001593817107 955010833 /nfs/dbraw/zinc/01/08/33/955010833.db2.gz YVDGRTSLIUAHPM-UHFFFAOYSA-N -1 0 310.306 -0.915 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)c1cn(C)nn1)C[C@H]2C(=O)[O-] ZINC001593818746 955012847 /nfs/dbraw/zinc/01/28/47/955012847.db2.gz AWNNAFHGOTVLQV-PUUHTONNSA-N -1 0 322.321 -0.459 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@@H]1CN(C2CC2)C(=O)O1 ZINC001594960895 955015388 /nfs/dbraw/zinc/01/53/88/955015388.db2.gz GMWQVMLCIIUBPA-NXEZZACHSA-N -1 0 318.351 -0.847 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1n[nH]c2ccccc21 ZINC001594961068 955016412 /nfs/dbraw/zinc/01/64/12/955016412.db2.gz IPJMNQVKOPWTBW-SNVBAGLBSA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc[nH]c1=O ZINC001594961504 955019513 /nfs/dbraw/zinc/01/95/13/955019513.db2.gz LVLUVCWOSCPDSY-QMMMGPOBSA-N -1 0 300.292 -0.889 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(F)nc1 ZINC001594961864 955020804 /nfs/dbraw/zinc/02/08/04/955020804.db2.gz NJXQCFGABPJMRY-QMMMGPOBSA-N -1 0 302.283 -0.456 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@H]1CC2(CC2)C(=O)O1 ZINC001594962285 955022066 /nfs/dbraw/zinc/02/20/66/955022066.db2.gz QSNXNOCISDSGRW-RKDXNWHRSA-N -1 0 303.336 -0.734 20 0 DBADRM CN(C)S(=O)(=O)CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000386530816 972062432 /nfs/dbraw/zinc/06/24/32/972062432.db2.gz XAVJBBCTQNHJOJ-UHFFFAOYSA-N -1 0 318.311 -0.009 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001594962457 955024825 /nfs/dbraw/zinc/02/48/25/955024825.db2.gz SWTSBTPMGPYCCX-GRYCIOLGSA-N -1 0 318.395 -0.967 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)Cn1cccn1)C[C@@H]2C(=O)[O-] ZINC001593821229 955039424 /nfs/dbraw/zinc/03/94/24/955039424.db2.gz IXPCZNNOAWJQTN-LOIXOFCESA-N -1 0 321.333 -0.005 20 0 DBADRM O=C([O-])C=Cc1cc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)co1 ZINC001594965901 955054360 /nfs/dbraw/zinc/05/43/60/955054360.db2.gz IDXMXRYRFDJKRO-TXXBHVLJSA-N -1 0 319.273 -0.246 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCOC[C@H]1COC)C(=O)[O-] ZINC001589517238 955070987 /nfs/dbraw/zinc/07/09/87/955070987.db2.gz CRBRYEGMQBYSEU-VHSXEESVSA-N -1 0 302.327 -0.913 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N[C@@H](C)CN1CCOCC1)C(=O)[O-] ZINC001589517590 955074314 /nfs/dbraw/zinc/07/43/14/955074314.db2.gz HPTGTMRKDWRLSQ-QWRGUYRKSA-N -1 0 315.370 -0.950 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCO[C@]2(CCOC2)C1)C(=O)[O-] ZINC001589518708 955080444 /nfs/dbraw/zinc/08/04/44/955080444.db2.gz NKLNBJSXSVUIGP-IINYFYTJSA-N -1 0 314.338 -0.769 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCO[C@]2(CCOC2)C1)C(=O)[O-] ZINC001589518709 955081054 /nfs/dbraw/zinc/08/10/54/955081054.db2.gz NKLNBJSXSVUIGP-QMTHXVAHSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])/C=C/c1cc(C(=O)NC[C@]2(CO)COCCN2)co1 ZINC001594968723 955083690 /nfs/dbraw/zinc/08/36/90/955083690.db2.gz BNXZWGDJKVRWKZ-YUKKFKLSSA-N -1 0 310.306 -0.542 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCC[C@@](C)(CO)C1)C(=O)[O-] ZINC001589519349 955087749 /nfs/dbraw/zinc/08/77/49/955087749.db2.gz RSSMTYVCOIICKS-IINYFYTJSA-N -1 0 300.355 -0.166 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)OC)N(C(=O)[C@H](C)C(=O)[O-])C1 ZINC001593826052 955105197 /nfs/dbraw/zinc/10/51/97/955105197.db2.gz OHGQORATRKYOQP-YIZRAAEISA-N -1 0 301.295 -0.340 20 0 DBADRM CC[C@H](CNC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001589526275 955118790 /nfs/dbraw/zinc/11/87/90/955118790.db2.gz PKIZGVSIEOPABU-MRVPVSSYSA-N -1 0 318.355 -0.852 20 0 DBADRM COCC[C@@H](COC)NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000386638318 972070669 /nfs/dbraw/zinc/07/06/69/972070669.db2.gz AGTFCMPWGQQKHF-QWRGUYRKSA-N -1 0 304.343 -0.077 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001593829359 955135503 /nfs/dbraw/zinc/13/55/03/955135503.db2.gz QGBIWIQTURWPLW-VDDIYKPWSA-N -1 0 323.367 -0.527 20 0 DBADRM COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CCCC(=O)[O-] ZINC001593829437 955136788 /nfs/dbraw/zinc/13/67/88/955136788.db2.gz XQCFZBRJDGTPIR-MRVPVSSYSA-N -1 0 307.324 -0.960 20 0 DBADRM COC(=O)C1CCC(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])CC1 ZINC001593829699 955139437 /nfs/dbraw/zinc/13/94/37/955139437.db2.gz RGVDHHCZNZWOJE-KWPJZBAWSA-N -1 0 323.367 -0.527 20 0 DBADRM CC[C@@H](CNC(=O)N1CCN(CCOC)C(=O)C1)C(=O)[O-] ZINC001589529278 955143293 /nfs/dbraw/zinc/14/32/93/955143293.db2.gz SXHAQJBFNJYTQO-JTQLQIEISA-N -1 0 301.343 -0.403 20 0 DBADRM COC(=O)CC1(NC(=O)c2cccn(CC(=O)[O-])c2=O)CC1 ZINC001593832581 955165445 /nfs/dbraw/zinc/16/54/45/955165445.db2.gz CRUNLTFPUKSQDI-UHFFFAOYSA-N -1 0 308.290 -0.242 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC000386728856 972076335 /nfs/dbraw/zinc/07/63/35/972076335.db2.gz BONJDDBVBYGSQG-YGRLFVJLSA-N -1 0 306.322 -0.507 20 0 DBADRM CC[C@@H](CNC(=O)NCCS(=O)(=O)NC1CC1)C(=O)[O-] ZINC001589538238 955178893 /nfs/dbraw/zinc/17/88/93/955178893.db2.gz PWOVYEDWBXBNNK-QMMMGPOBSA-N -1 0 307.372 -0.522 20 0 DBADRM CC[C@@H](CNC(=O)NCCCN1C(=O)CNC1=O)C(=O)[O-] ZINC001589539244 955189697 /nfs/dbraw/zinc/18/96/97/955189697.db2.gz YBOVXKCOQDNXET-QMMMGPOBSA-N -1 0 300.315 -0.662 20 0 DBADRM Cc1noc(CN(C)C(=O)c2cccn(CC(=O)[O-])c2=O)n1 ZINC001594499764 955314849 /nfs/dbraw/zinc/31/48/49/955314849.db2.gz CWIINLXNYSVJIY-UHFFFAOYSA-N -1 0 306.278 -0.103 20 0 DBADRM COC(=O)C[C@H]1CSCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001593836624 955318060 /nfs/dbraw/zinc/31/80/60/955318060.db2.gz CPLCPSIDTKPHDF-UWVGGRQHSA-N -1 0 316.379 -0.348 20 0 DBADRM COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)CCC(=O)[O-] ZINC001593836803 955320628 /nfs/dbraw/zinc/32/06/28/955320628.db2.gz JXABUDNCBKSXCL-MRVPVSSYSA-N -1 0 307.324 -0.960 20 0 DBADRM Cc1nonc1C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001594501051 955321921 /nfs/dbraw/zinc/32/19/21/955321921.db2.gz FWRYKUXKLUGCDK-VIFPVBQESA-N -1 0 322.321 -0.084 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001589001031 955323620 /nfs/dbraw/zinc/32/36/20/955323620.db2.gz BCIMFNVVDMEFDV-SSDOTTSWSA-N -1 0 305.290 -0.039 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CCO1 ZINC001593837681 955324097 /nfs/dbraw/zinc/32/40/97/955324097.db2.gz WSZYPDBJBTZQJO-NOZJJQNGSA-N -1 0 301.295 -0.589 20 0 DBADRM COC(=O)CC[C@H](C(=O)OC)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593837869 955326731 /nfs/dbraw/zinc/32/67/31/955326731.db2.gz ZWIWMSBNDNGSFR-GPCCPHFNSA-N -1 0 315.322 -0.486 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc(C(N)=O)cn1 ZINC001593838585 955328709 /nfs/dbraw/zinc/32/87/09/955328709.db2.gz HFCHIDCQIIDJGV-UHFFFAOYSA-N -1 0 309.278 -0.730 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CCn2ccnc2C1 ZINC001593839681 955346651 /nfs/dbraw/zinc/34/66/51/955346651.db2.gz QNJOEVODTXLNQV-JTQLQIEISA-N -1 0 309.322 -0.078 20 0 DBADRM Cc1nonc1CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594503805 955347650 /nfs/dbraw/zinc/34/76/50/955347650.db2.gz RZJSMBNOWOOQCZ-UHFFFAOYSA-N -1 0 317.323 -0.726 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1cnc(N(C)C)cn1 ZINC001593839879 955349352 /nfs/dbraw/zinc/34/93/52/955349352.db2.gz AQAWCIBHOLBSEF-UHFFFAOYSA-N -1 0 310.310 -0.368 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)CC1SC(=N)NC1=O ZINC001593839815 955350148 /nfs/dbraw/zinc/35/01/48/955350148.db2.gz XJJXXROWBFJYTR-ZCFIWIBFSA-N -1 0 317.323 -0.981 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1cnn2cccnc12 ZINC001593839981 955353041 /nfs/dbraw/zinc/35/30/41/955353041.db2.gz HVFOUYJGXWHRRQ-UHFFFAOYSA-N -1 0 306.278 -0.181 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589006469 955366334 /nfs/dbraw/zinc/36/63/34/955366334.db2.gz GPQFCRIQHVBXKH-DTWKUNHWSA-N -1 0 314.342 -0.985 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC001593841825 955372671 /nfs/dbraw/zinc/37/26/71/955372671.db2.gz MUCMVCXZTJDGBD-SECBINFHSA-N -1 0 323.367 -0.167 20 0 DBADRM C[C@@H](CC(C)(C)O)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589007935 955378175 /nfs/dbraw/zinc/37/81/75/955378175.db2.gz SKQXQRNMTPMMNY-UWVGGRQHSA-N -1 0 300.355 -0.025 20 0 DBADRM CC1SC(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])=NC1=O ZINC001594510613 955386274 /nfs/dbraw/zinc/38/62/74/955386274.db2.gz LZVFZXCMNAULOH-LURJTMIESA-N -1 0 320.348 -0.519 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001593844412 955394577 /nfs/dbraw/zinc/39/45/77/955394577.db2.gz IOJDJCVRVHFEOL-CQSZACIVSA-N -1 0 314.338 -0.327 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001593844922 955401060 /nfs/dbraw/zinc/40/10/60/955401060.db2.gz OEOVHQXQHYZWER-NSHDSACASA-N -1 0 300.311 -0.717 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)N[C@@]3(C(=O)[O-])CCOC3)ccnc1-2 ZINC001594513327 955406293 /nfs/dbraw/zinc/40/62/93/955406293.db2.gz NKCGAHSWSFSWCO-ZDUSSCGKSA-N -1 0 305.294 -0.293 20 0 DBADRM COC(=O)CC[C@H](NC(=O)C1(C(=O)NC2CC2)CC1)C(=O)[O-] ZINC001593845913 955413359 /nfs/dbraw/zinc/41/33/59/955413359.db2.gz KDTQNAVFCMRGSC-VIFPVBQESA-N -1 0 312.322 -0.432 20 0 DBADRM Cn1c([C@@H]2CC=NO2)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001594517589 955426467 /nfs/dbraw/zinc/42/64/67/955426467.db2.gz DOAAGVFYTWUJGK-VYUIOLGVSA-N -1 0 307.310 -0.200 20 0 DBADRM Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001594518226 955438210 /nfs/dbraw/zinc/43/82/10/955438210.db2.gz QYPQXBNPSORIBI-RKDXNWHRSA-N -1 0 314.367 -0.372 20 0 DBADRM C[C@H](CN(C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001589019314 955449430 /nfs/dbraw/zinc/44/94/30/955449430.db2.gz FXNSRVWPZUVQLE-ZJUUUORDSA-N -1 0 306.384 -0.716 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001593850550 955450569 /nfs/dbraw/zinc/45/05/69/955450569.db2.gz INAILNZHZHDFCH-FUXBKTLASA-N -1 0 301.295 -0.292 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001593850396 955450583 /nfs/dbraw/zinc/45/05/83/955450583.db2.gz DSXSAVFGQAURIY-UHFFFAOYSA-N -1 0 314.338 -0.471 20 0 DBADRM Cn1c(=O)cc(COC(=O)C2(C(=O)[O-])CC=CC2)n(C)c1=O ZINC001594519911 955451425 /nfs/dbraw/zinc/45/14/25/955451425.db2.gz GMVWGVCUJHKOMW-UHFFFAOYSA-N -1 0 308.290 -0.452 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1C(=O)CCCC(=O)[O-] ZINC001593851053 955458048 /nfs/dbraw/zinc/45/80/48/955458048.db2.gz XIEKGZRTIKIYNE-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@H]1CCC[C@@H]1CCO)C(=O)[O-] ZINC001589019968 955462050 /nfs/dbraw/zinc/46/20/50/955462050.db2.gz MDBOPBRIZMPKDN-MXWKQRLJSA-N -1 0 300.355 -0.167 20 0 DBADRM COC(=O)CNC(=O)c1ccc(NC(=O)[C@H](OC)C(=O)[O-])cc1 ZINC001593851408 955463243 /nfs/dbraw/zinc/46/32/43/955463243.db2.gz LVWFHEQXBZEAAK-NSHDSACASA-N -1 0 324.289 -0.373 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC(O)(C(F)F)CC1)C(=O)[O-] ZINC001589021247 955471178 /nfs/dbraw/zinc/47/11/78/955471178.db2.gz YZPQVZGNCKIQPU-MRVPVSSYSA-N -1 0 322.308 -0.216 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C)C(=O)[O-] ZINC001589021236 955471513 /nfs/dbraw/zinc/47/15/13/955471513.db2.gz YZAQAEREPVYYBC-MFNRYDQQSA-N -1 0 318.395 -0.467 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC001589021333 955472497 /nfs/dbraw/zinc/47/24/97/955472497.db2.gz ZUGHWWHCEVXWBJ-QMMMGPOBSA-N -1 0 322.383 -0.895 20 0 DBADRM Cc1cc(C)n(CCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC000387037571 972099238 /nfs/dbraw/zinc/09/92/38/972099238.db2.gz GCBOKEBGYKLHCD-NSHDSACASA-N -1 0 308.338 -0.308 20 0 DBADRM Cn1cc(-c2ccc(NC(=O)NC[C@](C)(O)C(=O)[O-])nn2)cn1 ZINC001594523378 955474586 /nfs/dbraw/zinc/47/45/86/955474586.db2.gz BRTDNOKUPXUXCZ-ZDUSSCGKSA-N -1 0 320.309 -0.166 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)Nc1ccn(CCF)n1)C(=O)[O-] ZINC001589021824 955477760 /nfs/dbraw/zinc/47/77/60/955477760.db2.gz FZRFALSFWGUXGT-QMMMGPOBSA-N -1 0 300.290 -0.030 20 0 DBADRM Cn1cc(-c2nn(C)cc2NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cn1 ZINC001594523665 955480288 /nfs/dbraw/zinc/48/02/88/955480288.db2.gz ANTHJXJOKRYIQU-SNVBAGLBSA-N -1 0 318.293 -0.011 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NCc1nc(C2CC2)no1)C(=O)[O-] ZINC001589022638 955483326 /nfs/dbraw/zinc/48/33/26/955483326.db2.gz SUZSXPJXZHFPNM-ZETCQYMHSA-N -1 0 310.310 -0.258 20 0 DBADRM Cn1cc(-c2nn(C)cc2C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC001594524012 955486367 /nfs/dbraw/zinc/48/63/67/955486367.db2.gz NJLSNQDZMBBBSH-NSHDSACASA-N -1 0 319.321 -0.254 20 0 DBADRM Cn1cc(-c2nn(C)cc2C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC001594524011 955486385 /nfs/dbraw/zinc/48/63/85/955486385.db2.gz NJLSNQDZMBBBSH-LLVKDONJSA-N -1 0 319.321 -0.254 20 0 DBADRM Cn1cc(C(=O)CNC(=O)c2cccn(CC(=O)[O-])c2=O)cn1 ZINC001594525694 955499755 /nfs/dbraw/zinc/49/97/55/955499755.db2.gz KXORRFQYEJZGJT-UHFFFAOYSA-N -1 0 318.289 -0.721 20 0 DBADRM Cn1cc(C(=O)C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cn1 ZINC001594525832 955500050 /nfs/dbraw/zinc/50/00/50/955500050.db2.gz NBVXEHQCNITGJW-LLVKDONJSA-N -1 0 302.290 -0.190 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cn2ccccc2n1 ZINC000387072151 972101593 /nfs/dbraw/zinc/10/15/93/972101593.db2.gz NJIMOPHCHRIEIG-JTQLQIEISA-N -1 0 302.290 -0.250 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)Nc2ccn(CC(=O)[O-])n2)cn1 ZINC001594529916 955516499 /nfs/dbraw/zinc/51/64/99/955516499.db2.gz ORVUXMBAILSEPZ-SECBINFHSA-N -1 0 308.298 -0.444 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001594530076 955518980 /nfs/dbraw/zinc/51/89/80/955518980.db2.gz WEBHASLDUAKOBE-NSHDSACASA-N -1 0 316.317 -0.055 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001593858175 955519160 /nfs/dbraw/zinc/51/91/60/955519160.db2.gz IHZJZKCFYZOVEU-LURJTMIESA-N -1 0 312.282 -0.206 20 0 DBADRM COC(=O)N[C@H]1CCN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001593858347 955520748 /nfs/dbraw/zinc/52/07/48/955520748.db2.gz MGVGJXNTAHCQAP-VIFPVBQESA-N -1 0 300.311 -0.175 20 0 DBADRM COC(=O)[C@@H](CNC(=O)[C@H](OC)C(=O)[O-])Oc1ccccc1 ZINC001593860179 955527176 /nfs/dbraw/zinc/52/71/76/955527176.db2.gz FYVQIPKNGOJPAH-MNOVXSKESA-N -1 0 311.290 -0.177 20 0 DBADRM C[C@H](CN(C)S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)[O-] ZINC001589033309 955534930 /nfs/dbraw/zinc/53/49/30/955534930.db2.gz BCLUUEJFDBRJPL-IWEMQMMOSA-N -1 0 301.390 -0.542 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C[C@H](C)O1 ZINC001593860806 955538974 /nfs/dbraw/zinc/53/89/74/955538974.db2.gz JCXFXQVVECZAFE-MWODSPESSA-N -1 0 301.295 -0.591 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C2(C(=O)[O-])CCOCC2)C[C@H](C)O1 ZINC001593860851 955539220 /nfs/dbraw/zinc/53/92/20/955539220.db2.gz KBQPWWPILUELSY-UWVGGRQHSA-N -1 0 315.322 -0.343 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)[C@H]3CCC(=O)N3)C2)cn1 ZINC001594531924 955542498 /nfs/dbraw/zinc/54/24/98/955542498.db2.gz OOECGLBNVVMJJX-JFGNBEQYSA-N -1 0 320.349 -0.285 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)[C@@H]3CC(=O)N3)C2)cn1 ZINC001594532983 955549542 /nfs/dbraw/zinc/54/95/42/955549542.db2.gz YRHLPDCCIHQPSG-YWVKMMECSA-N -1 0 306.322 -0.675 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NC[C@]12C[C@H]1COC21CCC1)C(=O)[O-] ZINC001589036626 955553479 /nfs/dbraw/zinc/55/34/79/955553479.db2.gz DLPQZEKFAHNZHD-PKFCDNJMSA-N -1 0 310.350 -0.101 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001593862429 955554048 /nfs/dbraw/zinc/55/40/48/955554048.db2.gz DMUFNHHECBPQBY-NXEZZACHSA-N -1 0 314.338 -0.024 20 0 DBADRM COC(=O)[C@@]1(C)CN(CCS(=O)(=O)CC(=O)[O-])C[C@@H]1C ZINC001593862521 955555973 /nfs/dbraw/zinc/55/59/73/955555973.db2.gz KGBCOEGOBDXFAN-CABZTGNLSA-N -1 0 307.368 -0.383 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC001589037004 955556604 /nfs/dbraw/zinc/55/66/04/955556604.db2.gz QAFVLLUHQWJIED-RNFRBKRXSA-N -1 0 312.244 -0.387 20 0 DBADRM C[C@H](CNC(=O)C(=O)NC1CCN(CC(F)F)CC1)C(=O)[O-] ZINC001589037216 955559359 /nfs/dbraw/zinc/55/93/59/955559359.db2.gz YSTVIMGKBXABSL-MRVPVSSYSA-N -1 0 321.324 -0.331 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001593864925 955569201 /nfs/dbraw/zinc/56/92/01/955569201.db2.gz AKGRHTVDPPXWFH-QSDJMHMYSA-N -1 0 312.322 -0.319 20 0 DBADRM C[C@@](CNC(=O)C(=O)N1CC(CO)C1)(C(=O)[O-])c1ccccc1 ZINC001589039584 955583329 /nfs/dbraw/zinc/58/33/29/955583329.db2.gz OQOWRFWAIPOPAX-INIZCTEOSA-N -1 0 320.345 -0.404 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C2OCCO2)C1)C(=O)[O-] ZINC001589039676 955583461 /nfs/dbraw/zinc/58/34/61/955583461.db2.gz QUTHGHBZHPGJRT-DTWKUNHWSA-N -1 0 300.311 -0.955 20 0 DBADRM C[C@H](CN1CCOCC1)N(C)C(=O)NCCOCC(=O)[O-] ZINC001589039864 955585651 /nfs/dbraw/zinc/58/56/51/955585651.db2.gz SNSXCXIUZRJQRE-LLVKDONJSA-N -1 0 303.359 -0.550 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC(C2OCCO2)CC1)C(=O)[O-] ZINC001589039897 955587998 /nfs/dbraw/zinc/58/79/98/955587998.db2.gz ULIZXHNTRKAVCA-SECBINFHSA-N -1 0 314.338 -0.565 20 0 DBADRM C[C@@H](CN1CCOCC1)N(C)C(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001589040208 955590500 /nfs/dbraw/zinc/59/05/00/955590500.db2.gz YWWCBSJPNNFPRZ-FZMZJTMJSA-N -1 0 300.355 -0.201 20 0 DBADRM C[C@H](CNC(=O)[C@@H](NC(=O)C1CCCC1)[C@H](C)O)C(=O)[O-] ZINC001589040471 955594125 /nfs/dbraw/zinc/59/41/25/955594125.db2.gz YLNISCAENSSYAJ-YWVKMMECSA-N -1 0 300.355 -0.121 20 0 DBADRM COC(=O)c1cc(C2CN(C(=O)[C@H]3CC(C(=O)[O-])=NO3)C2)[nH]n1 ZINC001593869373 955617174 /nfs/dbraw/zinc/61/71/74/955617174.db2.gz QDFRWRROMSHKCW-SNVBAGLBSA-N -1 0 322.277 -0.648 20 0 DBADRM C[C@H](CNC(=O)C1(CC(=O)[O-])CCOCC1)S(C)(=O)=O ZINC001589044836 955617955 /nfs/dbraw/zinc/61/79/55/955617955.db2.gz YZMXQDABVXTJHP-SECBINFHSA-N -1 0 307.368 -0.193 20 0 DBADRM COC(=O)c1cc(C(=O)Nc2ccnc(C(=O)[O-])c2)n(C)n1 ZINC001593870177 955624932 /nfs/dbraw/zinc/62/49/32/955624932.db2.gz PJDCOKHPXQYIJX-UHFFFAOYSA-N -1 0 304.262 -0.026 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)CCNC(N)=O)C2)cn1 ZINC001594541433 955653601 /nfs/dbraw/zinc/65/36/01/955653601.db2.gz XTSQNBAETTYSBO-NXEZZACHSA-N -1 0 323.353 -0.505 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-])on1 ZINC001593875427 955663275 /nfs/dbraw/zinc/66/32/75/955663275.db2.gz QTUZFIPOMYHOEO-ZCFIWIBFSA-N -1 0 306.296 -0.198 20 0 DBADRM Cn1cc(CNC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)nn1 ZINC001594542829 955666901 /nfs/dbraw/zinc/66/69/01/955666901.db2.gz KSYHKZSRICCMNO-UHFFFAOYSA-N -1 0 309.326 -0.809 20 0 DBADRM Cn1cc(CN2CCN(C(=O)[C@@H]3CC(C(=O)[O-])=NO3)CC2)cn1 ZINC001594542849 955667345 /nfs/dbraw/zinc/66/73/45/955667345.db2.gz MPLQKSBIBSCKKK-LBPRGKRZSA-N -1 0 321.337 -0.706 20 0 DBADRM Cn1cc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(Cl)n1 ZINC001594542874 955667779 /nfs/dbraw/zinc/66/77/79/955667779.db2.gz NVMBJACPKFNDIR-MRVPVSSYSA-N -1 0 307.759 -0.243 20 0 DBADRM Cn1cc(CNC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)nn1 ZINC001594543048 955669140 /nfs/dbraw/zinc/66/91/40/955669140.db2.gz CNOAICGQFWMABA-SNVBAGLBSA-N -1 0 324.341 -0.920 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])CC(=O)N1 ZINC000387311317 972117027 /nfs/dbraw/zinc/11/70/27/972117027.db2.gz QAJHJFWDBSSONQ-YFKPBYRVSA-N -1 0 305.337 -0.650 20 0 DBADRM C[C@H](CNC(=O)NCC1(C(=O)[O-])CCOCC1)S(C)(=O)=O ZINC001589053968 955681074 /nfs/dbraw/zinc/68/10/74/955681074.db2.gz NIESTLSUBXXLQS-SECBINFHSA-N -1 0 322.383 -0.400 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N3CCO[C@H](C(=O)[O-])C3)CC2=O)cn1 ZINC001594546475 955687144 /nfs/dbraw/zinc/68/71/44/955687144.db2.gz RKBAKYVDCOROPP-KOLCDFICSA-N -1 0 322.321 -0.915 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N3CCOC[C@H]3C(=O)[O-])CC2=O)cn1 ZINC001594546428 955687414 /nfs/dbraw/zinc/68/74/14/955687414.db2.gz PBKGVBACGWGUTC-ONGXEEELSA-N -1 0 322.321 -0.915 20 0 DBADRM Cn1cc(N2CC[C@@H](Nc3ccn(CC(=O)[O-])n3)C2=O)cn1 ZINC001594546615 955688276 /nfs/dbraw/zinc/68/82/76/955688276.db2.gz WCMGTJDCTSVINY-SNVBAGLBSA-N -1 0 304.310 -0.081 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)ccc1=O ZINC001594547929 955693248 /nfs/dbraw/zinc/69/32/48/955693248.db2.gz DHRKEXYZRNJNRV-NSHDSACASA-N -1 0 321.333 -0.059 20 0 DBADRM Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001594548521 955699288 /nfs/dbraw/zinc/69/92/88/955699288.db2.gz PPFRATNCFZJJRE-VIFPVBQESA-N -1 0 304.310 -0.096 20 0 DBADRM Cn1cc(S(=O)(=O)NCCCCC(=O)[O-])c(=O)[nH]c1=O ZINC001594549627 955714310 /nfs/dbraw/zinc/71/43/10/955714310.db2.gz QEHPHFCXVOXVIB-UHFFFAOYSA-N -1 0 305.312 -0.981 20 0 DBADRM Cn1ccc(CCC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001594550052 955718136 /nfs/dbraw/zinc/71/81/36/955718136.db2.gz ZHSBLHCELPDYTG-GFCCVEGCSA-N -1 0 322.365 -0.065 20 0 DBADRM Cn1ccnc(N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1=O ZINC001594551671 955731740 /nfs/dbraw/zinc/73/17/40/955731740.db2.gz QZYAMJZKURMNLM-JTQLQIEISA-N -1 0 320.349 -0.318 20 0 DBADRM COC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])n1 ZINC001593886112 955748177 /nfs/dbraw/zinc/74/81/77/955748177.db2.gz QSNQLNOMFQLASJ-SECBINFHSA-N -1 0 321.289 -0.118 20 0 DBADRM COC(=O)c1ccc2c(c1)CN(C(=O)C(=O)NCCC(=O)[O-])C2 ZINC001593886524 955754921 /nfs/dbraw/zinc/75/49/21/955754921.db2.gz HFSYFHCSIYBQBK-UHFFFAOYSA-N -1 0 320.301 -0.094 20 0 DBADRM Cn1ccnc1CN1CCC(C(=O)NC[C@](C)(O)C(=O)[O-])CC1 ZINC001594555482 955755938 /nfs/dbraw/zinc/75/59/38/955755938.db2.gz GLDUPONJUJCCOP-HNNXBMFYSA-N -1 0 324.381 -0.416 20 0 DBADRM Cn1cnc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)n1 ZINC001594556438 955765752 /nfs/dbraw/zinc/76/57/52/955765752.db2.gz GAFMHQOGAVMJGT-SECBINFHSA-N -1 0 321.337 -0.647 20 0 DBADRM Cn1cnc2ccc(C(=O)NCCOCCOCC(=O)[O-])nc21 ZINC001594557499 955774593 /nfs/dbraw/zinc/77/45/93/955774593.db2.gz KXAGIGXQOQUETM-UHFFFAOYSA-N -1 0 322.321 -0.184 20 0 DBADRM Cn1cncc1[C@@H](CO)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001594557687 955777509 /nfs/dbraw/zinc/77/75/09/955777509.db2.gz SBNRGMGPGZDWOP-SNVBAGLBSA-N -1 0 320.305 -0.870 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000387521147 972126326 /nfs/dbraw/zinc/12/63/26/972126326.db2.gz WQXVDLZBQNHKOH-MRVPVSSYSA-N -1 0 316.339 -0.988 20 0 DBADRM COC(=O)c1cn([C@@H]2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])C2)nn1 ZINC001593890942 955780543 /nfs/dbraw/zinc/78/05/43/955780543.db2.gz CLPWLTAHCXMVKL-OPRDCNLKSA-N -1 0 322.321 -0.051 20 0 DBADRM Cn1cnc(NC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cc1=O ZINC001594558146 955785176 /nfs/dbraw/zinc/78/51/76/955785176.db2.gz ZPGYNLAYKXJAMX-JTQLQIEISA-N -1 0 317.305 -0.007 20 0 DBADRM COC(=O)c1ccn(CCCC(=O)NC[C@@](C)(O)C(=O)[O-])n1 ZINC001593891659 955788812 /nfs/dbraw/zinc/78/88/12/955788812.db2.gz MPONIANCMUFUST-CYBMUJFWSA-N -1 0 313.310 -0.598 20 0 DBADRM CC(CO)(CO)CNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001589073203 955791421 /nfs/dbraw/zinc/79/14/21/955791421.db2.gz JVQGCKJFZXJUKM-UHFFFAOYSA-N -1 0 304.343 -0.842 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NC(C)(CO)CO)n1 ZINC001589073413 955793487 /nfs/dbraw/zinc/79/34/87/955793487.db2.gz MZTXYTHNCVQOFR-UHFFFAOYSA-N -1 0 300.315 -0.432 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCCC1)OC(=O)COCC(=O)[O-] ZINC001589075949 955810034 /nfs/dbraw/zinc/81/00/34/955810034.db2.gz CMBISLSAOWGMCI-SECBINFHSA-N -1 0 309.340 -0.555 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C1CC1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC001589076081 955812576 /nfs/dbraw/zinc/81/25/76/955812576.db2.gz FQULSQMEFPGFPA-KOLCDFICSA-N -1 0 318.395 -0.431 20 0 DBADRM C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC(=O)[O-])cc1 ZINC001589076182 955814063 /nfs/dbraw/zinc/81/40/63/955814063.db2.gz ZTAKGTKSWGVFQO-MRVPVSSYSA-N -1 0 317.319 -0.413 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1C ZINC000387606687 972129494 /nfs/dbraw/zinc/12/94/94/972129494.db2.gz JVFODVZQOOGGHT-JTQLQIEISA-N -1 0 309.322 -0.287 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC(C(=O)NCCO)CC1 ZINC001594564125 955821725 /nfs/dbraw/zinc/82/17/25/955821725.db2.gz LBHOWMSUEYWAIT-UHFFFAOYSA-N -1 0 324.337 -0.921 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCc2c(=O)[nH]cnc2C1 ZINC001594564427 955824585 /nfs/dbraw/zinc/82/45/85/955824585.db2.gz RFVIYLHYOIEHTJ-UHFFFAOYSA-N -1 0 303.278 -0.188 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589077034 955829869 /nfs/dbraw/zinc/82/98/69/955829869.db2.gz OGCZNTOJAMLAPA-SQFXPLBJSA-N -1 0 300.336 -0.570 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC001594564750 955829833 /nfs/dbraw/zinc/82/98/33/955829833.db2.gz CYUGBQVNNGCSAW-SSDOTTSWSA-N -1 0 301.324 -0.575 20 0 DBADRM COC(=O)c1nccc(N[C@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001593897380 955833777 /nfs/dbraw/zinc/83/37/77/955833777.db2.gz GGSZFCZRKVOZDX-VIFPVBQESA-N -1 0 322.321 -0.437 20 0 DBADRM COC(=O)c1oc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1C ZINC001593897539 955834653 /nfs/dbraw/zinc/83/46/53/955834653.db2.gz HUQSUETXTDECNK-UHFFFAOYSA-N -1 0 324.289 -0.256 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCCN1C(=O)CCC1=O ZINC001594565662 955842766 /nfs/dbraw/zinc/84/27/66/955842766.db2.gz KHOCEXQAFXZBPL-UHFFFAOYSA-N -1 0 308.294 -0.613 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCN1CCC2(C1)OCCO2 ZINC001594565831 955844940 /nfs/dbraw/zinc/84/49/40/955844940.db2.gz OTALBDDIKNSHDB-UHFFFAOYSA-N -1 0 324.337 -0.703 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC001593902272 955883047 /nfs/dbraw/zinc/88/30/47/955883047.db2.gz OIKDLEHRJPUHMY-QWRGUYRKSA-N -1 0 311.338 -0.208 20 0 DBADRM C[C@H](Cc1cnn(C)c1)C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001589083778 955884354 /nfs/dbraw/zinc/88/43/54/955884354.db2.gz ROPBVLWTMUWXFH-MWLCHTKSSA-N -1 0 309.322 -0.173 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC001593904213 955892339 /nfs/dbraw/zinc/89/23/39/955892339.db2.gz CLVWIOGELWVFQH-VHSXEESVSA-N -1 0 305.352 -0.488 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001593904271 955893457 /nfs/dbraw/zinc/89/34/57/955893457.db2.gz DMWHQQDIGPUYAD-SNVBAGLBSA-N -1 0 320.367 -0.888 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(CCc2ccncc2)CC1 ZINC001593904895 955899877 /nfs/dbraw/zinc/89/98/77/955899877.db2.gz CRLHSKBTJUWCBB-CYBMUJFWSA-N -1 0 307.350 -0.132 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C1(CO)CC1 ZINC001589086142 955900842 /nfs/dbraw/zinc/90/08/42/955900842.db2.gz FSXNZJKPWDCKJQ-MRVPVSSYSA-N -1 0 307.306 -0.005 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ncn(C)n1 ZINC001589086196 955901505 /nfs/dbraw/zinc/90/15/05/955901505.db2.gz HMFWMQOGGJYRBS-VHSXEESVSA-N -1 0 323.353 -0.294 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CC[S@@](=O)C[C@@H]1c1cnn(C)c1 ZINC001593905108 955903016 /nfs/dbraw/zinc/90/30/16/955903016.db2.gz CYEHLXDXEZICSI-QONUSYMYSA-N -1 0 315.351 -0.848 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1nnnn1C1CC1 ZINC001589086672 955907327 /nfs/dbraw/zinc/90/73/27/955907327.db2.gz ROJBJHSINJKJJA-SFYZADRCSA-N -1 0 322.325 -0.882 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCC(C(=O)[O-])CC1)c1ccnn1C ZINC001589086873 955908772 /nfs/dbraw/zinc/90/87/72/955908772.db2.gz WLAJQUQPPRTHEX-SECBINFHSA-N -1 0 308.338 -0.080 20 0 DBADRM Cn1nc(C2CC2)cc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001594575591 955914001 /nfs/dbraw/zinc/91/40/01/955914001.db2.gz DXSXZEGRSIRLEP-SNVBAGLBSA-N -1 0 315.351 -0.228 20 0 DBADRM Cn1nc2c(c1C(=O)NC(C)(C)C(=O)[O-])CS(=O)(=O)CC2 ZINC001594577366 955930364 /nfs/dbraw/zinc/93/03/64/955930364.db2.gz JDHQXSAXSMXOMB-UHFFFAOYSA-N -1 0 315.351 -0.516 20 0 DBADRM Cn1nc(CC(=O)OCC(=O)C(=O)[O-])c2ccccc2c1=O ZINC001594577588 955932832 /nfs/dbraw/zinc/93/28/32/955932832.db2.gz ZJUNNDJATDYIRQ-UHFFFAOYSA-N -1 0 304.258 -0.327 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCC(=O)N1CCOc2ccccc21 ZINC001593907176 955934570 /nfs/dbraw/zinc/93/45/70/955934570.db2.gz SVJUPROGTLFNAE-LBPRGKRZSA-N -1 0 308.290 -0.372 20 0 DBADRM Cn1ncc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1-n1cnnc1 ZINC001594578391 955941146 /nfs/dbraw/zinc/94/11/46/955941146.db2.gz OPOXDNPZPCSVPB-CYBMUJFWSA-N -1 0 304.310 -0.062 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC1CN(c2nccn3nc(C)cc23)C1 ZINC001593907545 955941290 /nfs/dbraw/zinc/94/12/90/955941290.db2.gz ZXHCQOKYGRKYGS-LLVKDONJSA-N -1 0 319.321 -0.558 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC001593907623 955943439 /nfs/dbraw/zinc/94/34/39/955943439.db2.gz JRFDUYYUQGFXLT-JTQLQIEISA-N -1 0 306.274 -0.502 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC001593907951 955947273 /nfs/dbraw/zinc/94/72/73/955947273.db2.gz CJBXYLZSFYUZMB-JTQLQIEISA-N -1 0 316.335 -0.226 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001593908074 955948344 /nfs/dbraw/zinc/94/83/44/955948344.db2.gz RJPUVWPFRUIWTK-KCJUWKMLSA-N -1 0 313.331 -0.227 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC001593908648 955954028 /nfs/dbraw/zinc/95/40/28/955954028.db2.gz JPMJHZZNJTYFTH-QMMMGPOBSA-N -1 0 307.349 -0.133 20 0 DBADRM O=C([O-])C[C@H]1COCCN1Cn1nnc2ccccc2c1=O ZINC000387879359 972145090 /nfs/dbraw/zinc/14/50/90/972145090.db2.gz CWKLHYHCZZJGJB-JTQLQIEISA-N -1 0 304.306 -0.076 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1cnc(N2CCOCC2)s1 ZINC001593909136 955956577 /nfs/dbraw/zinc/95/65/77/955956577.db2.gz QAZNJACVLUGUPH-SECBINFHSA-N -1 0 315.351 -0.305 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC001593909288 955959379 /nfs/dbraw/zinc/95/93/79/955959379.db2.gz VKPMFKPDYODYST-OTYXRUKQSA-N -1 0 321.289 -0.416 20 0 DBADRM C[C@@H](NC(=O)COC(=O)c1ccc(C(=O)[O-])cn1)C(=O)N(C)C ZINC001589095812 955985141 /nfs/dbraw/zinc/98/51/41/955985141.db2.gz LJDBQLRVEMFFFE-MRVPVSSYSA-N -1 0 323.305 -0.471 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1cnc(N2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC001593912850 955986019 /nfs/dbraw/zinc/98/60/19/955986019.db2.gz GAKKXTPSJKALDM-OUAUKWLOSA-N -1 0 322.321 -0.118 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1cnc(N2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC001593912849 955986028 /nfs/dbraw/zinc/98/60/28/955986028.db2.gz GAKKXTPSJKALDM-AXFHLTTASA-N -1 0 322.321 -0.118 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001593912904 955987332 /nfs/dbraw/zinc/98/73/32/955987332.db2.gz PGDLDJHWAFHYOL-NSHDSACASA-N -1 0 323.305 -0.408 20 0 DBADRM Cn1ncc2c1nnn(CN1CCC(C)(C(=O)[O-])CC1)c2=O ZINC001594585737 955995682 /nfs/dbraw/zinc/99/56/82/955995682.db2.gz AVCKQBDGMRLJKO-UHFFFAOYSA-N -1 0 306.326 -0.331 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)Nc1ncn(CC(=O)[O-])n1)CC2 ZINC001594586173 956000201 /nfs/dbraw/zinc/00/02/01/956000201.db2.gz LHMIFQYHJYZHOO-QMMMGPOBSA-N -1 0 304.310 -0.160 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1)C(=O)[O-] ZINC001594587891 956015379 /nfs/dbraw/zinc/01/53/79/956015379.db2.gz OLPIBTZEFFRICZ-YWVKMMECSA-N -1 0 308.338 -0.046 20 0 DBADRM Cn1nccc1[C@H](NC(=O)C(=O)Nc1ccc(F)nc1)C(=O)[O-] ZINC001594587962 956017089 /nfs/dbraw/zinc/01/70/89/956017089.db2.gz OZMDPDXUMPCJNS-JTQLQIEISA-N -1 0 321.268 -0.165 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@H]1CCCn2ncnc21)C(=O)[O-] ZINC001594588510 956022420 /nfs/dbraw/zinc/02/24/20/956022420.db2.gz XOJCSAQEPGZKMF-WPRPVWTQSA-N -1 0 304.310 -0.169 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC(O)(c2ncnn2C)CC1 ZINC001593918591 956051546 /nfs/dbraw/zinc/05/15/46/956051546.db2.gz NSXWTLNFVAZYMP-LBPRGKRZSA-N -1 0 312.326 -0.885 20 0 DBADRM Cn1nccc1[C@H](NC(=O)C1=C2CCCN=C2NN1)C(=O)[O-] ZINC001594590688 956057723 /nfs/dbraw/zinc/05/77/23/956057723.db2.gz WVYQMDOISWHOQB-JTQLQIEISA-N -1 0 304.310 -0.784 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589112384 956062420 /nfs/dbraw/zinc/06/24/20/956062420.db2.gz AOLHUSHIXSFBBX-XAVMHZPKSA-N -1 0 311.338 -0.164 20 0 DBADRM Cn1nccc1C1(O)CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001594593725 956068992 /nfs/dbraw/zinc/06/89/92/956068992.db2.gz VWFUHOACJNJWIF-JTQLQIEISA-N -1 0 322.321 -0.540 20 0 DBADRM CO[C@@H](C(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001593921101 956077417 /nfs/dbraw/zinc/07/74/17/956077417.db2.gz STKQXODIGULJNT-RKDXNWHRSA-N -1 0 303.311 -0.345 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(CCc2cnccn2)CC1 ZINC001593921839 956085763 /nfs/dbraw/zinc/08/57/63/956085763.db2.gz BIZCZXDUZQYWEY-OAHLLOKOSA-N -1 0 322.365 -0.347 20 0 DBADRM Cn1nccc1CCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594596313 956092434 /nfs/dbraw/zinc/09/24/34/956092434.db2.gz DLMYBEGNXSDTAC-LBPRGKRZSA-N -1 0 322.365 -0.065 20 0 DBADRM Cn1nnc2cc(C(=O)Nc3cnn(CC(=O)[O-])c3)cnc21 ZINC001594596418 956096037 /nfs/dbraw/zinc/09/60/37/956096037.db2.gz HMEKAKLQFGFGSG-UHFFFAOYSA-N -1 0 301.266 -0.103 20 0 DBADRM Cn1nccc1CN1CCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001594596620 956096799 /nfs/dbraw/zinc/09/67/99/956096799.db2.gz GHKLXCKKAWKUCE-ZDUSSCGKSA-N -1 0 321.381 -0.777 20 0 DBADRM Cn1nccc1CN1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001594596637 956098519 /nfs/dbraw/zinc/09/85/19/956098519.db2.gz GVYIWACQOFPEPK-HNNXBMFYSA-N -1 0 322.365 -0.302 20 0 DBADRM Cn1nncc1Cn1cc(CN2CCCC[C@@H]2C(=O)[O-])nn1 ZINC001594597699 956108562 /nfs/dbraw/zinc/10/85/62/956108562.db2.gz BAWFBHJQVAYHEQ-GFCCVEGCSA-N -1 0 305.342 -0.106 20 0 DBADRM Cn1nncc1NC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001594598738 956115529 /nfs/dbraw/zinc/11/55/29/956115529.db2.gz ZIQFAOVUAOEYKY-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCN1CCC2(C1)OCCO2 ZINC001593925731 956122226 /nfs/dbraw/zinc/12/22/26/956122226.db2.gz DULMFSQEDLLUNX-GFCCVEGCSA-N -1 0 302.327 -0.959 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCS(=O)(=O)N1CCCC1 ZINC001593925902 956124307 /nfs/dbraw/zinc/12/43/07/956124307.db2.gz NHXDJLXVCSLDHR-NSHDSACASA-N -1 0 308.356 -0.982 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC001593928300 956151876 /nfs/dbraw/zinc/15/18/76/956151876.db2.gz WTFLJPNIZBZWKE-CABZTGNLSA-N -1 0 303.311 -0.486 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC001593928301 956152544 /nfs/dbraw/zinc/15/25/44/956152544.db2.gz WTFLJPNIZBZWKE-JOYOIKCWSA-N -1 0 303.311 -0.486 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC001593928302 956152684 /nfs/dbraw/zinc/15/26/84/956152684.db2.gz WTFLJPNIZBZWKE-SKDRFNHKSA-N -1 0 303.311 -0.486 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc([C@@H]2NC(=O)NC2=O)cc1 ZINC001593929398 956156122 /nfs/dbraw/zinc/15/61/22/956156122.db2.gz CUWLLIRUEFQCRP-XPTSAGLGSA-N -1 0 321.289 -0.005 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC001593930404 956170162 /nfs/dbraw/zinc/17/01/62/956170162.db2.gz CELBECBFMOHCCR-CQSZACIVSA-N -1 0 323.305 -0.670 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)OCCCn1nc2ccccn2c1=O ZINC001593931194 956183206 /nfs/dbraw/zinc/18/32/06/956183206.db2.gz PICVVORFTSACMP-AWEZNQCLSA-N -1 0 323.305 -0.081 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCSC[C@H]2CO)cn1 ZINC000388232503 972162098 /nfs/dbraw/zinc/16/20/98/972162098.db2.gz SGFHVICWKSNHME-MRVPVSSYSA-N -1 0 321.380 -0.934 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1cccc(C(=O)NC(N)=O)c1 ZINC001593932436 956197543 /nfs/dbraw/zinc/19/75/43/956197543.db2.gz YWCINERQQQXUBG-ZDUSSCGKSA-N -1 0 309.278 -0.077 20 0 DBADRM C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1ccn(C)n1 ZINC001589132810 956219792 /nfs/dbraw/zinc/21/97/92/956219792.db2.gz ZBCIQHKFWRZLQI-WPRPVWTQSA-N -1 0 302.356 -0.136 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N(C)CCC(=O)[O-])C(F)(F)F ZINC001593938020 956241300 /nfs/dbraw/zinc/24/13/00/956241300.db2.gz ATQCTGTWPMMREQ-ZCFIWIBFSA-N -1 0 300.233 -0.387 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F)C(=O)[O-] ZINC001589138379 956246505 /nfs/dbraw/zinc/24/65/05/956246505.db2.gz DBVYPHCGMTXDFW-DGAHNEANSA-N -1 0 312.244 -0.747 20 0 DBADRM C[C@@](O)(CNC(=O)[C@@H]1COCCN1C1CCCC1)C(=O)[O-] ZINC001589138332 956246854 /nfs/dbraw/zinc/24/68/54/956246854.db2.gz AKZAHHBBXLPQOY-SMDDNHRTSA-N -1 0 300.355 -0.418 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)[O-] ZINC001589138521 956249766 /nfs/dbraw/zinc/24/97/66/956249766.db2.gz FQGASYCTEUSQKY-BBRMVZONSA-N -1 0 322.361 -0.161 20 0 DBADRM C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)[O-] ZINC001589138639 956250428 /nfs/dbraw/zinc/25/04/28/956250428.db2.gz SDSYIOBQSRHMQY-GFCCVEGCSA-N -1 0 314.294 -0.770 20 0 DBADRM CO[C@@H](CC(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001593938554 956251082 /nfs/dbraw/zinc/25/10/82/956251082.db2.gz PXLYEWPZAYWPNS-UWVGGRQHSA-N -1 0 307.368 -0.242 20 0 DBADRM C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)[O-] ZINC001589138642 956251285 /nfs/dbraw/zinc/25/12/85/956251285.db2.gz SDSYIOBQSRHMQY-LBPRGKRZSA-N -1 0 314.294 -0.770 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1cc2n(n1)CCCC2)C(=O)[O-] ZINC001589138753 956252520 /nfs/dbraw/zinc/25/25/20/956252520.db2.gz TXAJIWVANHCSJG-ZDUSSCGKSA-N -1 0 310.310 -0.890 20 0 DBADRM C[C@](O)(CNC(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1)C(=O)[O-] ZINC001589139497 956260093 /nfs/dbraw/zinc/26/00/93/956260093.db2.gz WSPGPUNWJBADFC-BHDSKKPTSA-N -1 0 317.338 -0.361 20 0 DBADRM N#Cc1ccc(S(=O)(=O)CCN2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC000388330366 972166201 /nfs/dbraw/zinc/16/62/01/972166201.db2.gz DEZKBDAIIIMVJQ-WCQYABFASA-N -1 0 324.358 -0.148 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccc(Cn2ccnn2)cc1)C(=O)[O-] ZINC001589144524 956279715 /nfs/dbraw/zinc/27/97/15/956279715.db2.gz NTCUFJHXWWSHAW-CQSZACIVSA-N -1 0 304.306 -0.108 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1)C(=O)[O-] ZINC001589144910 956285055 /nfs/dbraw/zinc/28/50/55/956285055.db2.gz YQOCSWZUWAWDAQ-SMDDNHRTSA-N -1 0 323.305 -0.132 20 0 DBADRM CO[C@@]1(CNC(=O)N(C)C[C@H](C)C(=O)[O-])CCS(=O)(=O)C1 ZINC001593943568 956301925 /nfs/dbraw/zinc/30/19/25/956301925.db2.gz LBZPLYHONKFDIT-JOYOIKCWSA-N -1 0 322.383 -0.448 20 0 DBADRM C[C@](O)(CNC(=O)c1cnc(C2(C)OCCO2)s1)C(=O)[O-] ZINC001589147252 956306121 /nfs/dbraw/zinc/30/61/21/956306121.db2.gz RQNSDXYVSZDVFL-NSHDSACASA-N -1 0 316.335 -0.072 20 0 DBADRM COC1(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CS(=O)(=O)C1 ZINC001593944007 956309047 /nfs/dbraw/zinc/30/90/47/956309047.db2.gz VGYXBKPKXSEDAC-DTWKUNHWSA-N -1 0 305.352 -0.631 20 0 DBADRM CO[C@@]1(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCOC1 ZINC001593944046 956309434 /nfs/dbraw/zinc/30/94/34/956309434.db2.gz YCDVSSSYOFCUMU-GDLCADMTSA-N -1 0 314.338 -0.466 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)NCCCC(=O)[O-])CCSC1 ZINC001593944116 956310576 /nfs/dbraw/zinc/31/05/76/956310576.db2.gz ZXQPZSLPOCVWMT-GFCCVEGCSA-N -1 0 304.368 -0.394 20 0 DBADRM COC(OC)C(=O)N1CCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC001593944337 956314483 /nfs/dbraw/zinc/31/44/83/956314483.db2.gz FLSXCMVZIOUDLS-UHFFFAOYSA-N -1 0 300.311 -0.859 20 0 DBADRM C[C@@](O)(CNC(=O)c1csc(S(C)(=O)=O)c1)C(=O)[O-] ZINC001589147829 956315419 /nfs/dbraw/zinc/31/54/19/956315419.db2.gz YUFYGEGWJAQKAP-SNVBAGLBSA-N -1 0 307.349 -0.283 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1cccc2c1OCCO2)C(=O)[O-] ZINC001589148643 956322605 /nfs/dbraw/zinc/32/26/05/956322605.db2.gz WEIADOLQPSWYHC-LBPRGKRZSA-N -1 0 317.319 -0.428 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1cccc2c1OCCO2)C(=O)[O-] ZINC001589148642 956322985 /nfs/dbraw/zinc/32/29/85/956322985.db2.gz WEIADOLQPSWYHC-GFCCVEGCSA-N -1 0 317.319 -0.428 20 0 DBADRM COC1(CS(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)CCOCC1 ZINC001593945569 956323149 /nfs/dbraw/zinc/32/31/49/956323149.db2.gz BVQRPXGPHXLMFZ-LBPRGKRZSA-N -1 0 323.367 -0.655 20 0 DBADRM COC1(CS(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])CCOCC1 ZINC001593945788 956326921 /nfs/dbraw/zinc/32/69/21/956326921.db2.gz KTMDZEUARCIWOS-SNVBAGLBSA-N -1 0 323.367 -0.703 20 0 DBADRM COC1(CO)CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001593945971 956329840 /nfs/dbraw/zinc/32/98/40/956329840.db2.gz VUVLLLTWEZWBBM-UHFFFAOYSA-N -1 0 312.326 -0.027 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001589152213 956331977 /nfs/dbraw/zinc/33/19/77/956331977.db2.gz KZUUMBMNDUXZRL-RHYQMDGZSA-N -1 0 303.355 -0.154 20 0 DBADRM C[C@@H](O)CN(C)C(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001589152202 956332407 /nfs/dbraw/zinc/33/24/07/956332407.db2.gz KXNKGPJXJGAYPC-MNOVXSKESA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@H](O)CN(Cc1ccccc1)C(=O)C(=O)NCCC(=O)[O-] ZINC001589152745 956340890 /nfs/dbraw/zinc/34/08/90/956340890.db2.gz STNYUIZUPKMJCN-NSHDSACASA-N -1 0 308.334 -0.013 20 0 DBADRM C[C@H](O)CN(CC(F)F)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589152751 956340993 /nfs/dbraw/zinc/34/09/93/956340993.db2.gz SUBFQWKGXXJRSP-YUMQZZPRSA-N -1 0 316.326 -0.272 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@@H](C(=O)[O-])c2ccnn2C)nn1 ZINC001589153685 956351843 /nfs/dbraw/zinc/35/18/43/956351843.db2.gz BHNNRPUEHZZPBS-WRWORJQWSA-N -1 0 308.298 -0.993 20 0 DBADRM CO[C@H]1CC[C@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001593949280 956361304 /nfs/dbraw/zinc/36/13/04/956361304.db2.gz NJMGYYKECOFNPF-UWVGGRQHSA-N -1 0 319.379 -0.050 20 0 DBADRM NC(=O)[C@H](F)C1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001594636362 956375549 /nfs/dbraw/zinc/37/55/49/956375549.db2.gz HAYPOQVETJSPDV-MWLCHTKSSA-N -1 0 301.318 -0.793 20 0 DBADRM C[C@@H](OC(=O)CCCC(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001589156540 956375802 /nfs/dbraw/zinc/37/58/02/956375802.db2.gz STARJVLXIRCHSF-BDAKNGLRSA-N -1 0 321.351 -0.524 20 0 DBADRM CO[C@H]1COCC[C@H]1N(C)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593950557 956377128 /nfs/dbraw/zinc/37/71/28/956377128.db2.gz BWBIMVZVEAOGQS-NEPJUHHUSA-N -1 0 324.333 -0.191 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593950558 956377447 /nfs/dbraw/zinc/37/74/47/956377447.db2.gz BWBIMVZVEAOGQS-NWDGAFQWSA-N -1 0 324.333 -0.191 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)C1 ZINC001594637801 956383797 /nfs/dbraw/zinc/38/37/97/956383797.db2.gz ABGYISSWYMBYHG-CIUDSAMLSA-N -1 0 313.310 -0.997 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC001589159115 956391648 /nfs/dbraw/zinc/39/16/48/956391648.db2.gz RBMCSUVWEGQFCI-SFYZADRCSA-N -1 0 300.311 -0.624 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)Nc2ccnc(C(=O)[O-])c2)CCO1 ZINC001594638607 956395647 /nfs/dbraw/zinc/39/56/47/956395647.db2.gz MXIFZHMHTULYKS-SECBINFHSA-N -1 0 308.294 -0.112 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593951899 956398312 /nfs/dbraw/zinc/39/83/12/956398312.db2.gz UYOFOYVWWCREFK-OUAUKWLOSA-N -1 0 322.383 -0.484 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001594639187 956402312 /nfs/dbraw/zinc/40/23/12/956402312.db2.gz WFPSWEBUUNUMAQ-OZWUEAAUSA-N -1 0 310.350 -0.162 20 0 DBADRM NC(=O)[C@H]1CCC[C@H](C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001594639188 956402444 /nfs/dbraw/zinc/40/24/44/956402444.db2.gz WFPSWEBUUNUMAQ-VEABSNGSSA-N -1 0 310.350 -0.162 20 0 DBADRM COCC(=O)NCCC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001593953000 956409305 /nfs/dbraw/zinc/40/93/05/956409305.db2.gz JKBSTHFHBFZYQS-UHFFFAOYSA-N -1 0 302.327 -0.721 20 0 DBADRM NC(=O)CNC(=O)c1cccc(NC(=O)C2(C(=O)[O-])CC2)c1 ZINC001594640875 956417188 /nfs/dbraw/zinc/41/71/88/956417188.db2.gz AHCQUCDKHJUPLY-UHFFFAOYSA-N -1 0 305.290 -0.295 20 0 DBADRM NC(=O)[C@H]1CCCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001594641183 956421692 /nfs/dbraw/zinc/42/16/92/956421692.db2.gz ZJRUBTWUSNWTSN-VIFPVBQESA-N -1 0 307.306 -0.730 20 0 DBADRM COC[C@@H](C)CNC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001593955054 956421656 /nfs/dbraw/zinc/42/16/56/956421656.db2.gz XCGUFHDPHBOBJB-GWCFXTLKSA-N -1 0 304.343 -0.220 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)CC1=O ZINC001594641301 956422738 /nfs/dbraw/zinc/42/27/38/956422738.db2.gz KVCFNLHZFAFAOH-UPHRSURJSA-N -1 0 321.289 -0.853 20 0 DBADRM COC[C@H](Cn1nnnc1N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)OC ZINC001593957008 956440096 /nfs/dbraw/zinc/44/00/96/956440096.db2.gz OCQZCPWMDLDVJQ-VWYCJHECSA-N -1 0 313.358 -0.119 20 0 DBADRM NC(=O)NCCCCCC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594647504 956444015 /nfs/dbraw/zinc/44/40/15/956444015.db2.gz PPFWAHQOVLWKTR-HZMBPMFUSA-N -1 0 313.354 -0.225 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)O1 ZINC001594647730 956447705 /nfs/dbraw/zinc/44/77/05/956447705.db2.gz DJQUHJZZDTVWFU-NKWVEPMBSA-N -1 0 324.293 -0.917 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001594647851 956449402 /nfs/dbraw/zinc/44/94/02/956449402.db2.gz KWCIKRSHTUWCRN-JLIMGVALSA-N -1 0 311.338 -0.874 20 0 DBADRM NC(=O)c1cc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)co1 ZINC001594648522 956454475 /nfs/dbraw/zinc/45/44/75/956454475.db2.gz AXMAESAQTZPHAF-VIFPVBQESA-N -1 0 323.305 -0.426 20 0 DBADRM NC(=O)c1cc(C(=O)OCC(=O)C(=O)[O-])nn1-c1ccccc1 ZINC001594648715 956455973 /nfs/dbraw/zinc/45/59/73/956455973.db2.gz HZSSECPXHAQROY-UHFFFAOYSA-N -1 0 317.257 -0.218 20 0 DBADRM COCC(COC)NC(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001593958172 956458654 /nfs/dbraw/zinc/45/86/54/956458654.db2.gz QOYGLXGHCJOQJU-CYBMUJFWSA-N -1 0 320.342 -0.841 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)OC ZINC001593958306 956460171 /nfs/dbraw/zinc/46/01/71/956460171.db2.gz XOPCYCFQMCGYOB-UWVGGRQHSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@@H](CO)NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001593958273 956460447 /nfs/dbraw/zinc/46/04/47/956460447.db2.gz VXIUHJYQSVWXMZ-ZWNOBZJWSA-N -1 0 321.333 -0.171 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC(C)(C)OC)C1 ZINC001593958389 956461528 /nfs/dbraw/zinc/46/15/28/956461528.db2.gz ARLKMXVTQCHOPI-CQSZACIVSA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@@]1(C(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)CCOC1 ZINC001593958553 956464184 /nfs/dbraw/zinc/46/41/84/956464184.db2.gz GVDOHVAJYINILH-KBPBESRZSA-N -1 0 317.338 -0.632 20 0 DBADRM C[C@H](SCC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC001589170002 956468066 /nfs/dbraw/zinc/46/80/66/956468066.db2.gz WFDWIYWTXVSVHF-QMMMGPOBSA-N -1 0 312.413 -0.410 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CCCCO)C1 ZINC001593959148 956469326 /nfs/dbraw/zinc/46/93/26/956469326.db2.gz RWVIHJBUBAESIU-CQSZACIVSA-N -1 0 316.354 -0.833 20 0 DBADRM NC(=O)c1ccc(F)c(NC(=O)c2cn(CC(=O)[O-])nn2)c1 ZINC001594650460 956470815 /nfs/dbraw/zinc/47/08/15/956470815.db2.gz BDNWUWAYEOZSEH-UHFFFAOYSA-N -1 0 307.241 -0.147 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2cccn2C)C1 ZINC001593959216 956470831 /nfs/dbraw/zinc/47/08/31/956470831.db2.gz UDQGAVHJQYXMQL-HNNXBMFYSA-N -1 0 323.349 -0.409 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@H](F)C2)C1 ZINC001593959242 956470890 /nfs/dbraw/zinc/47/08/90/956470890.db2.gz UXWAGOPADLIASS-HZMBPMFUSA-N -1 0 316.329 -0.103 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CC[C@H](C)O)C1 ZINC001593959392 956471499 /nfs/dbraw/zinc/47/14/99/956471499.db2.gz WLIUHZZRNWMMLY-IINYFYTJSA-N -1 0 316.354 -0.835 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CC[C@@H](C)O)C1 ZINC001593959393 956471530 /nfs/dbraw/zinc/47/15/30/956471530.db2.gz WLIUHZZRNWMMLY-QMTHXVAHSA-N -1 0 316.354 -0.835 20 0 DBADRM NC(=O)c1cn(CCCCNC(=O)[C@@H](C(=O)[O-])C2CC2)nn1 ZINC001594653135 956484736 /nfs/dbraw/zinc/48/47/36/956484736.db2.gz FXKZLDIJUYYFCL-JTQLQIEISA-N -1 0 309.326 -0.616 20 0 DBADRM NC(=O)c1cn(CCOC(=O)[C@]2(C(=O)[O-])CC=CCC2)nn1 ZINC001594653264 956484841 /nfs/dbraw/zinc/48/48/41/956484841.db2.gz HKTABIHSXNPSAA-CYBMUJFWSA-N -1 0 308.294 -0.269 20 0 DBADRM NC(=O)c1cn(CCCCNC(=O)N2CC[C@@H](C(=O)[O-])C2)nn1 ZINC001594653459 956486266 /nfs/dbraw/zinc/48/62/66/956486266.db2.gz LTUZZSZUHZWXAU-SECBINFHSA-N -1 0 324.341 -0.727 20 0 DBADRM NC(=O)c1cn(C2CN(C(=O)[C@H](C(=O)[O-])C3CCCC3)C2)nn1 ZINC001594653292 956486395 /nfs/dbraw/zinc/48/63/95/956486395.db2.gz IORMMQNSZVUTCG-LLVKDONJSA-N -1 0 321.337 -0.349 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)CCn2cnccc2=O)C1 ZINC001593961533 956488225 /nfs/dbraw/zinc/48/82/25/956488225.db2.gz GMHBKQQILNRZRC-AWEZNQCLSA-N -1 0 309.322 -0.417 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001594653794 956491728 /nfs/dbraw/zinc/49/17/28/956491728.db2.gz FLJVVZBAZXVGNA-BXKDBHETSA-N -1 0 320.367 -0.853 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)C2(C(=O)[O-])CC=CC2)CCC1 ZINC001594654010 956492462 /nfs/dbraw/zinc/49/24/62/956492462.db2.gz ISEONSWHPAYGMB-UHFFFAOYSA-N -1 0 302.352 -0.265 20 0 DBADRM C[C@H](c1cnccn1)S(=O)(=O)CCS(=O)(=O)CC(=O)[O-] ZINC001589175637 956497924 /nfs/dbraw/zinc/49/79/24/956497924.db2.gz HMCHCYBBXWXDFL-MRVPVSSYSA-N -1 0 322.364 -0.548 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@]2(C(=O)[O-])CCCO2)cs1 ZINC001594654876 956501110 /nfs/dbraw/zinc/50/11/10/956501110.db2.gz CSPHOOHGYDTQHK-JTQLQIEISA-N -1 0 320.348 -0.032 20 0 DBADRM NS(=O)(=O)CCOCCNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001594657131 956505537 /nfs/dbraw/zinc/50/55/37/956505537.db2.gz AZZKUQRVJDQGOM-SNVBAGLBSA-N -1 0 322.383 -0.701 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001594657893 956511298 /nfs/dbraw/zinc/51/12/98/956511298.db2.gz RIMXEVUUIPLYQG-NSHDSACASA-N -1 0 300.336 -0.003 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)C2(CC(=O)[O-])CCC2)C1 ZINC001594658148 956511438 /nfs/dbraw/zinc/51/14/38/956511438.db2.gz WRISTZDJKSWBIB-VIFPVBQESA-N -1 0 304.368 -0.232 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCC(=O)N(C)OC)C1 ZINC001593963665 956519711 /nfs/dbraw/zinc/51/97/11/956519711.db2.gz ZQLTWAFSYRNTBK-LBPRGKRZSA-N -1 0 303.315 -0.861 20 0 DBADRM NS(=O)(=O)c1ccc(NC(=O)[C@@]2(C(=O)[O-])CCCO2)cc1 ZINC001594660582 956532302 /nfs/dbraw/zinc/53/23/02/956532302.db2.gz VSQPTXYLHXDDOW-GFCCVEGCSA-N -1 0 314.319 -0.094 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](O)[C@H](F)C2)C1 ZINC001589187196 956563181 /nfs/dbraw/zinc/56/31/81/956563181.db2.gz MYKYAQOMCGMVSW-ZDMBXUJBSA-N -1 0 302.302 -0.759 20 0 DBADRM Nc1ncn(CC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)n1 ZINC001594665093 956566017 /nfs/dbraw/zinc/56/60/17/956566017.db2.gz PGQOJHOQMDRXAQ-JVVWGOMOSA-N -1 0 309.326 -0.611 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](O)C(F)(F)C2)C1 ZINC001589187565 956569100 /nfs/dbraw/zinc/56/91/00/956569100.db2.gz VXBQTXMSYALSQM-QPUJVOFHSA-N -1 0 320.292 -0.462 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCCn3nncc3C2)C1 ZINC001589187756 956572293 /nfs/dbraw/zinc/57/22/93/956572293.db2.gz IFVFCSYBFKHUQN-AWEZNQCLSA-N -1 0 321.337 -0.666 20 0 DBADRM Nc1nnc(CC(=O)NC2(CC(=O)[O-])CCOCC2)s1 ZINC001594667521 956590754 /nfs/dbraw/zinc/59/07/54/956590754.db2.gz KOBIUVBWWQQMEJ-UHFFFAOYSA-N -1 0 300.340 -0.197 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C(=O)c2ccc(O)cc2)CCO1 ZINC001593970107 956600798 /nfs/dbraw/zinc/60/07/98/956600798.db2.gz JJTNWHYJQJVPOM-OAHLLOKOSA-N -1 0 323.301 -0.097 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@H]2CCOC[C@@H]2C)CCO1 ZINC001593970542 956608683 /nfs/dbraw/zinc/60/86/83/956608683.db2.gz KSMUGHHWMWXUQZ-MJVIPROJSA-N -1 0 316.354 -0.077 20 0 DBADRM O=C([O-])c1ccc(/C=C/C(=O)NC[C@@]2(CO)COCCN2)o1 ZINC001594670216 956613599 /nfs/dbraw/zinc/61/35/99/956613599.db2.gz OUCAUHJQQDYZFG-KWEXDPCDSA-N -1 0 310.306 -0.542 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)CCO1 ZINC001593971412 956622393 /nfs/dbraw/zinc/62/23/93/956622393.db2.gz GCWOYPFPEHPIHZ-DDIVZENXSA-N -1 0 311.334 -0.070 20 0 DBADRM CC1(C(N)=O)CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001589203035 956645650 /nfs/dbraw/zinc/64/56/50/956645650.db2.gz ITQVBBZMIIPHCX-UHFFFAOYSA-N -1 0 306.278 -0.948 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H](O)C2CCOCC2)CCO1 ZINC001593975013 956657146 /nfs/dbraw/zinc/65/71/46/956657146.db2.gz OHMVERIQVLDUGM-SMDDNHRTSA-N -1 0 317.338 -0.898 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H](O)C2CCOCC2)CCO1 ZINC001593975012 956657341 /nfs/dbraw/zinc/65/73/41/956657341.db2.gz OHMVERIQVLDUGM-RISCZKNCSA-N -1 0 317.338 -0.898 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001589204986 956659486 /nfs/dbraw/zinc/65/94/86/956659486.db2.gz DKDAODNQMGLFRO-HTQZYQBOSA-N -1 0 319.379 -0.603 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)/C=C\c2cnn(C)c2)CCO1 ZINC001593975448 956660599 /nfs/dbraw/zinc/66/05/99/956660599.db2.gz UXAWUHQEEOPXDF-VQTKUKTRSA-N -1 0 309.322 -0.238 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H](C)c2cnccn2)CCO1 ZINC001593975518 956661456 /nfs/dbraw/zinc/66/14/56/956661456.db2.gz QTEZWZBABXMSOH-HZMBPMFUSA-N -1 0 309.322 -0.091 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2nnnn2CCSC)C1 ZINC001593975523 956661848 /nfs/dbraw/zinc/66/18/48/956661848.db2.gz QUIYKIMFOKQAIG-NSHDSACASA-N -1 0 301.372 -0.036 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2nnc([C@H]3CNC(=O)C3)n2C)C1 ZINC001593976137 956666370 /nfs/dbraw/zinc/66/63/70/956666370.db2.gz VELZWCIPGMPNNO-OTYXRUKQSA-N -1 0 323.353 -0.654 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)C[C@H]1CCS(=O)(=O)C1)C2 ZINC001594677228 956669254 /nfs/dbraw/zinc/66/92/54/956669254.db2.gz KAEMGLJDBAKLMR-NRUUGDAUSA-N -1 0 317.363 -0.629 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)C[C@@H]1CCCS1(=O)=O)C2 ZINC001594677523 956670926 /nfs/dbraw/zinc/67/09/26/956670926.db2.gz QPFFGPNCEUVYPB-KWBADKCTSA-N -1 0 317.363 -0.487 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H]2CCn3cncc3C2)CCO1 ZINC001593976753 956671128 /nfs/dbraw/zinc/67/11/28/956671128.db2.gz ZJWIXOJRIDKHFJ-XHDPSFHLSA-N -1 0 323.349 -0.226 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCc2nnc(C)o2)CCO1 ZINC001593977455 956678993 /nfs/dbraw/zinc/67/89/93/956678993.db2.gz BHBHJDFBCUXIOP-LBPRGKRZSA-N -1 0 314.298 -0.610 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2c(C)nn(C)c2C)CCO1 ZINC001593977542 956679081 /nfs/dbraw/zinc/67/90/81/956679081.db2.gz LBNVNDPMCBXBHF-CQSZACIVSA-N -1 0 311.338 -0.021 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H](NC(C)=O)C(C)C)CCO1 ZINC001593978047 956683106 /nfs/dbraw/zinc/68/31/06/956683106.db2.gz PDHWIBZAYHUYNR-BXUZGUMPSA-N -1 0 316.354 -0.524 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001589212896 956708809 /nfs/dbraw/zinc/70/88/09/956708809.db2.gz NUYRLYBTIGNSQL-CABCVRRESA-N -1 0 312.366 -0.607 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC001589213349 956714062 /nfs/dbraw/zinc/71/40/62/956714062.db2.gz ZBKUSUIXKUHRMB-UFBFGSQYSA-N -1 0 304.368 -0.233 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2nc(C)ns2)CCO1 ZINC001593981927 956717994 /nfs/dbraw/zinc/71/79/94/956717994.db2.gz CNKWNIRVUFTZNB-NSHDSACASA-N -1 0 301.324 -0.211 20 0 DBADRM COC[C@]1(C(=O)[O-])CN([C@H](C)C(=O)NCC(C)C)CCO1 ZINC001593982816 956723615 /nfs/dbraw/zinc/72/36/15/956723615.db2.gz JHQMPRXVCHPMON-RISCZKNCSA-N -1 0 302.371 -0.051 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001589214230 956723826 /nfs/dbraw/zinc/72/38/26/956723826.db2.gz YYYWRXMJLLFJCY-WZQIAMPNSA-N -1 0 304.368 -0.316 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(Cc2nc(C3CC3)nn2C)CCO1 ZINC001593983586 956733516 /nfs/dbraw/zinc/73/35/16/956733516.db2.gz KCWRZAQHVHVLPU-AWEZNQCLSA-N -1 0 310.354 -0.006 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCc1nnc2n1CCNC2=O ZINC001589218406 956743840 /nfs/dbraw/zinc/74/38/40/956743840.db2.gz SEKDMOLDNGTVCV-AWEZNQCLSA-N -1 0 321.337 -0.819 20 0 DBADRM O=C([O-])C(=O)COC(=O)CCc1nc(-c2ncccn2)no1 ZINC001594690215 956744951 /nfs/dbraw/zinc/74/49/51/956744951.db2.gz DKNLMVWIDGKMQQ-UHFFFAOYSA-N -1 0 306.234 -0.344 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cccn(C)c2=O)CCO1 ZINC001593984398 956748095 /nfs/dbraw/zinc/74/80/95/956748095.db2.gz XASRQFAVBAFREN-AWEZNQCLSA-N -1 0 310.306 -0.673 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CCn1cnccc1=O ZINC001594691495 956752266 /nfs/dbraw/zinc/75/22/66/956752266.db2.gz MGBSKHQDKSJCAI-GFCCVEGCSA-N -1 0 316.317 -0.160 20 0 DBADRM O=C(CN1CCCCS1(=O)=O)NC1(C(=O)[O-])CCOCC1 ZINC001594692270 956755024 /nfs/dbraw/zinc/75/50/24/956755024.db2.gz BJKWMFDHBQDVGF-UHFFFAOYSA-N -1 0 320.367 -0.838 20 0 DBADRM O=C([O-])c1c[nH]nc1NC(=O)CN1CCCCS1(=O)=O ZINC001594692488 956758124 /nfs/dbraw/zinc/75/81/24/956758124.db2.gz SYZICVCQEISCBS-UHFFFAOYSA-N -1 0 302.312 -0.528 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2C[C@@H]2C[C@H]2C)CCO1 ZINC001593985505 956770093 /nfs/dbraw/zinc/77/00/93/956770093.db2.gz RAEUSSDBLYAZSN-NRUUGDAUSA-N -1 0 311.342 -0.365 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CC(=O)NCc2ccccn2)CCO1 ZINC001593986127 956783971 /nfs/dbraw/zinc/78/39/71/956783971.db2.gz OBZMJRJKNAZPSY-HNNXBMFYSA-N -1 0 323.349 -0.500 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CC(=O)NCC(F)(F)F)CCO1 ZINC001593986301 956787389 /nfs/dbraw/zinc/78/73/89/956787389.db2.gz SVMBJHXWRJCIMM-JTQLQIEISA-N -1 0 314.260 -0.533 20 0 DBADRM COC[C@@]1(C)CN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CCO1 ZINC001593986634 956795525 /nfs/dbraw/zinc/79/55/25/956795525.db2.gz CYAOPDOQSAPWOV-NOZJJQNGSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@]1(C)CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCO1 ZINC001593986674 956796552 /nfs/dbraw/zinc/79/65/52/956796552.db2.gz FQJPCRJNGWVNAD-BHDSKKPTSA-N -1 0 314.338 -0.770 20 0 DBADRM COCC[C@H](C)NC(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001593990070 956829985 /nfs/dbraw/zinc/82/99/85/956829985.db2.gz SGUWWUWWALRXMQ-GXFFZTMASA-N -1 0 304.343 -0.077 20 0 DBADRM COCC[C@H](COC)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593990325 956833967 /nfs/dbraw/zinc/83/39/67/956833967.db2.gz BUPNQTVMDDUHCT-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM COCC[C@H](COC)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593990324 956834313 /nfs/dbraw/zinc/83/43/13/956834313.db2.gz BUPNQTVMDDUHCT-GHMZBOCLSA-N -1 0 316.354 -0.523 20 0 DBADRM COCC[C@@H](COC)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593990327 956834435 /nfs/dbraw/zinc/83/44/35/956834435.db2.gz BUPNQTVMDDUHCT-WDEREUQCSA-N -1 0 316.354 -0.523 20 0 DBADRM COCC[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)C(N)=O ZINC001593991340 956852205 /nfs/dbraw/zinc/85/22/05/956852205.db2.gz ZWDNZAIQCDKUPN-GUBZILKMSA-N -1 0 302.327 -0.737 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1=O ZINC001589239061 956854773 /nfs/dbraw/zinc/85/47/73/956854773.db2.gz BWBIVNINYDEHRS-BDCGGMFSSA-N -1 0 309.322 -0.314 20 0 DBADRM COCCCN(C(=O)[C@@H](OC)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001593993983 956865274 /nfs/dbraw/zinc/86/52/74/956865274.db2.gz ZXAKOMJBCHTHFF-NXEZZACHSA-N -1 0 323.367 -0.862 20 0 DBADRM C[C@]1(CCCC(=O)Nc2ccn(CC(=O)[O-])n2)NC(=O)NC1=O ZINC001589239551 956865178 /nfs/dbraw/zinc/86/51/78/956865178.db2.gz NVLHYRJNFNSTGP-CYBMUJFWSA-N -1 0 323.309 -0.325 20 0 DBADRM C[C@@]1(C2CCN(C(=O)COCC(=O)[O-])CC2)COC(=O)N1 ZINC001589239696 956866602 /nfs/dbraw/zinc/86/66/02/956866602.db2.gz LILLATZPMYBMFP-ZDUSSCGKSA-N -1 0 300.311 -0.175 20 0 DBADRM COCCCOCCC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001593994542 956867641 /nfs/dbraw/zinc/86/76/41/956867641.db2.gz IWZDEEOCPLAIQA-AWEZNQCLSA-N -1 0 319.354 -0.242 20 0 DBADRM C[C@@]1(CCCC(=O)N2CCO[C@@H](C(=O)[O-])C2)NC(=O)NC1=O ZINC001589239915 956871062 /nfs/dbraw/zinc/87/10/62/956871062.db2.gz UUCDRBQAHGJMCL-OQPBUACISA-N -1 0 313.310 -0.933 20 0 DBADRM CC1(C)OCC[C@@H]1Cn1nnnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001589240115 956874961 /nfs/dbraw/zinc/87/49/61/956874961.db2.gz NGAZPAVIRLUYRJ-ZJUUUORDSA-N -1 0 311.342 -0.222 20 0 DBADRM COCCCS(=O)(=O)NCc1nc([C@H](C)C(=O)[O-])no1 ZINC001593995429 956883683 /nfs/dbraw/zinc/88/36/83/956883683.db2.gz XHRXVMPCTZCXHK-ZETCQYMHSA-N -1 0 307.328 -0.286 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCC2(C)COC2)n1 ZINC001589240903 956886028 /nfs/dbraw/zinc/88/60/28/956886028.db2.gz BSOAFUVGZPCQPD-UHFFFAOYSA-N -1 0 324.337 -0.206 20 0 DBADRM COCCN(C)Cc1cn([C@@H]2CCN(CC(=O)[O-])C2=O)nn1 ZINC001593995471 956886433 /nfs/dbraw/zinc/88/64/33/956886433.db2.gz AKDCYVUHUNWVIG-LLVKDONJSA-N -1 0 311.342 -0.786 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCC(=O)N1 ZINC001589241651 956892923 /nfs/dbraw/zinc/89/29/23/956892923.db2.gz NZOFGFXKJLLZKV-TVLCNXBWSA-N -1 0 311.338 -0.859 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@](C)(O)Cn1ccccc1=O ZINC001593997298 956905438 /nfs/dbraw/zinc/90/54/38/956905438.db2.gz NGYXECZWKZULKD-AWEZNQCLSA-N -1 0 312.322 -0.841 20 0 DBADRM CNC(=O)[C@]1(C)CCN(C(=O)NCCSCC(=O)[O-])C1 ZINC000389442515 972225401 /nfs/dbraw/zinc/22/54/01/972225401.db2.gz JUCNAHVZSSLIDX-GFCCVEGCSA-N -1 0 303.384 -0.028 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC001593998865 956913095 /nfs/dbraw/zinc/91/30/95/956913095.db2.gz CKORHTMVLZRKOQ-UHFFFAOYSA-N -1 0 316.335 -0.493 20 0 DBADRM C[C@@]1(NC(=O)C(F)(F)F)CCN(CC(=O)NCC(=O)[O-])C1 ZINC001589246417 956927389 /nfs/dbraw/zinc/92/73/89/956927389.db2.gz OGEAVEITUNSDLJ-SNVBAGLBSA-N -1 0 311.260 -0.670 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C1=C(C)OCCS1(=O)=O ZINC001594001876 956935721 /nfs/dbraw/zinc/93/57/21/956935721.db2.gz XUXZJYQGGOJULM-UHFFFAOYSA-N -1 0 321.351 -0.387 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001594004684 956951277 /nfs/dbraw/zinc/95/12/77/956951277.db2.gz DKWXRRNUHORFPC-UTUOFQBUSA-N -1 0 316.354 -0.077 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NC[C@@]1(OC)CCOC1 ZINC001594005043 956959699 /nfs/dbraw/zinc/95/96/99/956959699.db2.gz MRWIMDZQEDLMKG-ZDUSSCGKSA-N -1 0 304.343 -0.075 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCCCc1nnnn1C ZINC001594005350 956963590 /nfs/dbraw/zinc/96/35/90/956963590.db2.gz PZXGIBWDCKYZJH-UHFFFAOYSA-N -1 0 314.346 -0.725 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCCN1CCCC1=O ZINC001594005791 956972678 /nfs/dbraw/zinc/97/26/78/956972678.db2.gz YJSAFYOYBZPYHF-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM C[C@]12COC[C@@H]1CN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C2 ZINC001589254416 956980138 /nfs/dbraw/zinc/98/01/38/956980138.db2.gz IASYXEKGHHZEAD-PGUXBMHVSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2nc3ccccc3c(=O)[nH]2)CCOC1 ZINC001594723818 956981802 /nfs/dbraw/zinc/98/18/02/956981802.db2.gz LLPLOCDQWQUDBA-CQSZACIVSA-N -1 0 303.274 -0.103 20 0 DBADRM CC1=C(C(=O)N(CC(=O)[O-])C2CCC2)Cn2nnnc2N1C ZINC001589254905 956982407 /nfs/dbraw/zinc/98/24/07/956982407.db2.gz MQXYZTJHTIKTIX-UHFFFAOYSA-N -1 0 306.326 -0.137 20 0 DBADRM C[C@]12CN(C(=O)[C@]3(C(=O)[O-])CCCO3)C[C@@]1(C)C(=O)NC2=O ZINC001589254956 956982675 /nfs/dbraw/zinc/98/26/75/956982675.db2.gz NGWVMAGNSVUHGD-MJBXVCDLSA-N -1 0 310.306 -0.869 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2cncc(N3CCOCC3)c2)CCOC1 ZINC001594723893 956983748 /nfs/dbraw/zinc/98/37/48/956983748.db2.gz NKJCLCLUUFTYLL-OAHLLOKOSA-N -1 0 321.333 -0.108 20 0 DBADRM CC1=C(C(=O)NCC2(C(=O)[O-])CCC2)Cn2nnnc2N1C ZINC001589256368 956994388 /nfs/dbraw/zinc/99/43/88/956994388.db2.gz NGPTXTLBZKRHEE-UHFFFAOYSA-N -1 0 306.326 -0.232 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)CC1(N(C)C)CC1 ZINC001594011297 957001252 /nfs/dbraw/zinc/00/12/52/957001252.db2.gz DLDKHXRATXRROW-UHFFFAOYSA-N -1 0 308.400 -0.167 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)C1 ZINC001594726319 957008017 /nfs/dbraw/zinc/00/80/17/957008017.db2.gz LMMGMQMXQDTDAA-WDEREUQCSA-N -1 0 323.349 -0.953 20 0 DBADRM COCCOC[C@H]1CC[N@@H+]([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001594017299 957042222 /nfs/dbraw/zinc/04/22/22/957042222.db2.gz FISACDJRFWUWMJ-NWDGAFQWSA-N -1 0 300.355 -0.343 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001594017438 957044018 /nfs/dbraw/zinc/04/40/18/957044018.db2.gz MEXZNUYUYKTMRL-CYBMUJFWSA-N -1 0 302.327 -0.911 20 0 DBADRM COCCOC[C@@H](C)NC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001594017754 957047256 /nfs/dbraw/zinc/04/72/56/957047256.db2.gz BHKURQGTCBBSFZ-SNVBAGLBSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCO[C@@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594018061 957050923 /nfs/dbraw/zinc/05/09/23/957050923.db2.gz LJHNALZLKMEINW-MWLCHTKSSA-N -1 0 300.311 -0.130 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001589262707 957051131 /nfs/dbraw/zinc/05/11/31/957051131.db2.gz SEYUKBCRTLOCCK-SWKWJFQWSA-N -1 0 316.379 -0.666 20 0 DBADRM COCCOC[C@H]1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594018288 957051503 /nfs/dbraw/zinc/05/15/03/957051503.db2.gz QNHKYUMKTRXLHQ-ONGXEEELSA-N -1 0 300.311 -0.273 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589262806 957052239 /nfs/dbraw/zinc/05/22/39/957052239.db2.gz AAPBKUGLGQGSHD-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@@H]1[C@@H](OC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC(=O)N1C ZINC001589262934 957056317 /nfs/dbraw/zinc/05/63/17/957056317.db2.gz CANIGAUETFWBMA-UTLUCORTSA-N -1 0 312.322 -0.528 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC001594734637 957059153 /nfs/dbraw/zinc/05/91/53/957059153.db2.gz GJUGMVSTUHYQBF-XHNCKOQMSA-N -1 0 319.308 -0.579 20 0 DBADRM CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000035230188 957201652 /nfs/dbraw/zinc/20/16/52/957201652.db2.gz UOTAPAJBHUUTLU-MRVPVSSYSA-N -1 0 317.367 -0.084 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000037226202 957266790 /nfs/dbraw/zinc/26/67/90/957266790.db2.gz JDHUTPWIEQTOAG-SNVBAGLBSA-N -1 0 317.319 -0.662 20 0 DBADRM CC(=O)NCc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000037406671 957277853 /nfs/dbraw/zinc/27/78/53/957277853.db2.gz QRNQVHKISRAIBH-LLVKDONJSA-N -1 0 316.335 -0.954 20 0 DBADRM CCN(CC(=O)N(C)C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037656889 957318795 /nfs/dbraw/zinc/31/87/95/957318795.db2.gz INUDJJAMIMTHLO-UHFFFAOYSA-N -1 0 321.399 -0.562 20 0 DBADRM Cc1c(NS(=O)(=O)CCC(=O)[O-])cccc1S(N)(=O)=O ZINC000037789847 957328425 /nfs/dbraw/zinc/32/84/25/957328425.db2.gz VGJWDPMRIMVVTM-UHFFFAOYSA-N -1 0 322.364 -0.141 20 0 DBADRM CCNC(=O)CN(CC)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037830162 957330853 /nfs/dbraw/zinc/33/08/53/957330853.db2.gz QTXRYZVVSDFFES-UHFFFAOYSA-N -1 0 304.328 -0.745 20 0 DBADRM CC(C)NC(=O)CN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037833030 957331562 /nfs/dbraw/zinc/33/15/62/957331562.db2.gz KXUCTZADUCTDNZ-UHFFFAOYSA-N -1 0 321.399 -0.516 20 0 DBADRM O=C([O-])c1ccc(CS(=O)(=O)N(CCO)CCO)cc1 ZINC000037838762 957334091 /nfs/dbraw/zinc/33/40/91/957334091.db2.gz IIXIUNTYLDOKGP-UHFFFAOYSA-N -1 0 303.336 -0.499 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000038058654 957352105 /nfs/dbraw/zinc/35/21/05/957352105.db2.gz IMHPVDSYYBICCU-RXMQYKEDSA-N -1 0 309.321 -0.742 20 0 DBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])CS2 ZINC000040394128 957362307 /nfs/dbraw/zinc/36/23/07/957362307.db2.gz LTFVZOOWRIBFIM-VXFNFUGZSA-N -1 0 314.363 -0.513 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000042713496 957427272 /nfs/dbraw/zinc/42/72/72/957427272.db2.gz HMARPBUKWHCVIL-MRVPVSSYSA-N -1 0 317.323 -0.176 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000043701352 957440361 /nfs/dbraw/zinc/44/03/61/957440361.db2.gz NODIYLHEQMQBCX-JGVFFNPUSA-N -1 0 305.356 -0.912 20 0 DBADRM CN(C(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000043706621 957441601 /nfs/dbraw/zinc/44/16/01/957441601.db2.gz AGLFNBHLQYRVBO-RKDXNWHRSA-N -1 0 306.340 -0.989 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2CCN(C3CC3)C2)cn1 ZINC000044694602 957448996 /nfs/dbraw/zinc/44/89/96/957448996.db2.gz HPCAGKBLCBHYPE-VIFPVBQESA-N -1 0 314.367 -0.517 20 0 DBADRM CNC(=O)CCNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000044993963 957450440 /nfs/dbraw/zinc/45/04/40/957450440.db2.gz RWSQGCCPCSWXJD-UHFFFAOYSA-N -1 0 300.336 -0.060 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC000390164197 972267368 /nfs/dbraw/zinc/26/73/68/972267368.db2.gz MPWCYIIXSXBHSC-QMMMGPOBSA-N -1 0 322.325 -0.850 20 0 DBADRM NS(=O)(=O)CCCNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000045090635 957451786 /nfs/dbraw/zinc/45/17/86/957451786.db2.gz LERAPLOCQKREGE-UHFFFAOYSA-N -1 0 307.372 -0.392 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000049098687 957473497 /nfs/dbraw/zinc/47/34/97/957473497.db2.gz NIDZLNDHWUANRY-QMMMGPOBSA-N -1 0 300.336 -0.061 20 0 DBADRM COCC[C@H](NC(=O)[C@@H]1CC(=O)N(CCOC)C1)C(=O)[O-] ZINC000052784686 957512213 /nfs/dbraw/zinc/51/22/13/957512213.db2.gz NOJKLWFXIAEINS-ZJUUUORDSA-N -1 0 302.327 -0.913 20 0 DBADRM COCC[C@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000052787336 957514322 /nfs/dbraw/zinc/51/43/22/957514322.db2.gz DZKZSCVWZMFQLD-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM Cc1oc(C)c(S(=O)(=O)NCCOCCO)c1C(=O)[O-] ZINC000052925618 957515283 /nfs/dbraw/zinc/51/52/83/957515283.db2.gz JFYYDFJDHZLWLI-UHFFFAOYSA-N -1 0 307.324 -0.118 20 0 DBADRM CN([C@H]1CCCN(C)C1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000053244897 957518531 /nfs/dbraw/zinc/51/85/31/957518531.db2.gz XUTHWYOYVAFZGL-QMMMGPOBSA-N -1 0 302.356 -0.177 20 0 DBADRM CC(C)CN(CC(=O)[O-])CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000062743442 957606851 /nfs/dbraw/zinc/60/68/51/957606851.db2.gz CTNJWZGBMZEWCR-JTQLQIEISA-N -1 0 306.384 -0.668 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000390386646 972280251 /nfs/dbraw/zinc/28/02/51/972280251.db2.gz ZSGDTQXHRXVUKT-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM Cc1cccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000070216036 957666412 /nfs/dbraw/zinc/66/64/12/957666412.db2.gz UJJAQWSPMVXVMK-NSHDSACASA-N -1 0 312.347 -0.041 20 0 DBADRM CCOC(=O)CCN(C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000070446613 957674250 /nfs/dbraw/zinc/67/42/50/957674250.db2.gz YRANLFCRIWAUPX-UHFFFAOYSA-N -1 0 319.339 -0.010 20 0 DBADRM Cc1cc(=O)c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c[nH]1 ZINC001594271030 957674512 /nfs/dbraw/zinc/67/45/12/957674512.db2.gz HBDQJBAFSKFDJJ-SECBINFHSA-N -1 0 314.319 -0.993 20 0 DBADRM Cc1cc(=O)c(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1C ZINC001594271021 957674830 /nfs/dbraw/zinc/67/48/30/957674830.db2.gz GRIVPCKBEBAPFA-MEBBXXQBSA-N -1 0 306.318 -0.133 20 0 DBADRM COCCn1c([C@@H](O)COC)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001594022608 957676418 /nfs/dbraw/zinc/67/64/18/957676418.db2.gz LJXHMZYMXUPENS-UWVGGRQHSA-N -1 0 314.342 -0.485 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@H](CO)C[C@H]2CCCO2)c1=O ZINC001574745130 957702808 /nfs/dbraw/zinc/70/28/08/957702808.db2.gz KOOBFIQBCPILQJ-GHMZBOCLSA-N -1 0 324.333 -0.407 20 0 DBADRM COCCn1ccc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)n1 ZINC001594024965 957704017 /nfs/dbraw/zinc/70/40/17/957704017.db2.gz DJBRCILJHFUANA-NSHDSACASA-N -1 0 307.310 -0.181 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1CC(=O)NCc1cccs1 ZINC000071245177 957711934 /nfs/dbraw/zinc/71/19/34/957711934.db2.gz GMESUEZJNUYXSJ-SNVBAGLBSA-N -1 0 311.363 -0.361 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])C2 ZINC001594025486 957714160 /nfs/dbraw/zinc/71/41/60/957714160.db2.gz QBUFJYJGLVQJEK-NXEZZACHSA-N -1 0 308.338 -0.080 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc(=O)[nH]1 ZINC001594276016 957716772 /nfs/dbraw/zinc/71/67/72/957716772.db2.gz NSHDPLCHLFSSLN-VIFPVBQESA-N -1 0 314.319 -0.581 20 0 DBADRM COC[C@H](O)CNC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594026154 957723270 /nfs/dbraw/zinc/72/32/70/957723270.db2.gz WJZOBIAUDBYIDO-PYUIQPRZSA-N -1 0 316.354 -0.295 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC001574764565 957745705 /nfs/dbraw/zinc/74/57/05/957745705.db2.gz VHZMZLXSUKXSLZ-GWOFURMSSA-N -1 0 317.363 -0.488 20 0 DBADRM COCc1nnc2n1CCN(C(=O)[C@@]1(C(=O)[O-])CCCO1)C2 ZINC001594031088 957759459 /nfs/dbraw/zinc/75/94/59/957759459.db2.gz ITRJMIIGRVUFFR-CYBMUJFWSA-N -1 0 310.310 -0.600 20 0 DBADRM CON(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[C@H](C)C(=O)[O-] ZINC001594032900 957777690 /nfs/dbraw/zinc/77/76/90/957777690.db2.gz AOBFYPIZKOTTIH-BDAKNGLRSA-N -1 0 308.356 -0.479 20 0 DBADRM COCc1nccc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC001594033047 957779735 /nfs/dbraw/zinc/77/97/35/957779735.db2.gz NGBGQHIGQLFLAW-AWEZNQCLSA-N -1 0 322.321 -0.115 20 0 DBADRM CON(C(=O)CCN1C(=O)CCNC1=S)[C@H](C)C(=O)[O-] ZINC001594036682 957820327 /nfs/dbraw/zinc/82/03/27/957820327.db2.gz SMRJSWQVFMTKMG-SSDOTTSWSA-N -1 0 303.340 -0.654 20 0 DBADRM Cc1cc(C)c(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c(=O)[nH]1 ZINC001594294041 957851583 /nfs/dbraw/zinc/85/15/83/957851583.db2.gz LIRNGPQARCBRNZ-JTQLQIEISA-N -1 0 321.333 -0.047 20 0 DBADRM CON(C(=O)c1nc(S(C)(=O)=O)ncc1C)[C@H](C)C(=O)[O-] ZINC001594040914 957875176 /nfs/dbraw/zinc/87/51/76/957875176.db2.gz SOISKCKLULGNEH-SSDOTTSWSA-N -1 0 317.323 -0.335 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594042004 957881578 /nfs/dbraw/zinc/88/15/78/957881578.db2.gz JASIFBZZUFDOCV-AEJSXWLSSA-N -1 0 302.327 -0.219 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001594042915 957897219 /nfs/dbraw/zinc/89/72/19/957897219.db2.gz SMAQRYTYKMOKKD-ZHSDAYTOSA-N -1 0 314.338 -0.467 20 0 DBADRM CON1CCC(N(C)C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC1 ZINC001594043552 957901251 /nfs/dbraw/zinc/90/12/51/957901251.db2.gz HKYVBYLEROLPML-SNVBAGLBSA-N -1 0 315.370 -0.350 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C[C@@H]1OC ZINC001594045724 957917581 /nfs/dbraw/zinc/91/75/81/957917581.db2.gz QHYHSWLFVYYEJX-MXWKQRLJSA-N -1 0 314.338 -0.818 20 0 DBADRM COc1c(F)nccc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001594046042 957923786 /nfs/dbraw/zinc/92/37/86/957923786.db2.gz MQVBVHAKLLWBMW-UHFFFAOYSA-N -1 0 311.269 -0.402 20 0 DBADRM O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001574825291 957929211 /nfs/dbraw/zinc/92/92/11/957929211.db2.gz OVSQHYZVFHKEQT-MNOVXSKESA-N -1 0 304.302 -0.149 20 0 DBADRM Cc1cc(CNC(=O)c2cccn(CC(=O)[O-])c2=O)ncn1 ZINC001594304428 957953656 /nfs/dbraw/zinc/95/36/56/957953656.db2.gz MTALSUBGUUCRPQ-UHFFFAOYSA-N -1 0 302.290 -0.039 20 0 DBADRM COc1c[nH]c(C(=O)NCC2(C(=O)[O-])CCOCC2)cc1=O ZINC001594048415 957955501 /nfs/dbraw/zinc/95/55/01/957955501.db2.gz XMKMVOWMVXOOHP-UHFFFAOYSA-N -1 0 310.306 -0.005 20 0 DBADRM Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NCC(=O)[O-])n1 ZINC001594306022 957968630 /nfs/dbraw/zinc/96/86/30/957968630.db2.gz SJQDTORAVJEXSJ-UHFFFAOYSA-N -1 0 318.293 -0.582 20 0 DBADRM COc1cc(C(=O)OCC(=O)C(=O)[O-])sc1S(N)(=O)=O ZINC001594050735 957986624 /nfs/dbraw/zinc/98/66/24/957986624.db2.gz LXBPPZSNGFYMJS-UHFFFAOYSA-N -1 0 323.304 -0.785 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCC2(O)CCCCC2)cn1 ZINC000087015443 958002101 /nfs/dbraw/zinc/00/21/01/958002101.db2.gz DOLIXELCSSVWLU-UHFFFAOYSA-N -1 0 317.367 -0.059 20 0 DBADRM Cc1cc(F)cc2c1S(=O)(=O)N(CC(=O)C(=O)[O-])C2=O ZINC001594310768 958013752 /nfs/dbraw/zinc/01/37/52/958013752.db2.gz FQFWZPVTBBGISW-UHFFFAOYSA-N -1 0 301.251 -0.068 20 0 DBADRM CC[C@@H](CNC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC000087484340 958014901 /nfs/dbraw/zinc/01/49/01/958014901.db2.gz RGRUOHOCFGYGJV-ZETCQYMHSA-N -1 0 303.340 -0.487 20 0 DBADRM COc1cc(CCNC(=O)C(=O)N(C)CCC(=O)[O-])ccc1O ZINC001594055072 958029147 /nfs/dbraw/zinc/02/91/47/958029147.db2.gz MWUYMFSYGDDKMA-UHFFFAOYSA-N -1 0 324.333 -0.007 20 0 DBADRM COc1cc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])ccn1 ZINC001594055946 958035135 /nfs/dbraw/zinc/03/51/35/958035135.db2.gz DYSCUASRSFBTET-SNVBAGLBSA-N -1 0 300.336 -0.226 20 0 DBADRM Cc1cc(N2CC[C@H](OC(=O)COCC(=O)[O-])C2=O)n(C)n1 ZINC001594312080 958041901 /nfs/dbraw/zinc/04/19/01/958041901.db2.gz ZFUPBXXLGCIACK-VIFPVBQESA-N -1 0 311.294 -0.522 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])cnc1Cl ZINC001594314619 958058000 /nfs/dbraw/zinc/05/80/00/958058000.db2.gz OCAOLHZRYLWDEH-GFCCVEGCSA-N -1 0 315.713 -0.066 20 0 DBADRM COc1cc(COCC(=O)N[C@]2(C(=O)[O-])CCOC2)ccn1 ZINC001594058590 958065080 /nfs/dbraw/zinc/06/50/80/958065080.db2.gz GPJONDBVGNBQCK-CQSZACIVSA-N -1 0 310.306 -0.033 20 0 DBADRM CNC(=O)C1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000088768358 958067274 /nfs/dbraw/zinc/06/72/74/958067274.db2.gz CLQSUPVRXJOPLM-UHFFFAOYSA-N -1 0 307.372 -0.904 20 0 DBADRM Cc1cc(NC(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])on1 ZINC001594316790 958070889 /nfs/dbraw/zinc/07/08/89/958070889.db2.gz MBXUMLCESIIBMU-QMMMGPOBSA-N -1 0 317.323 -0.895 20 0 DBADRM Cc1cc(NC(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])on1 ZINC001594316788 958071733 /nfs/dbraw/zinc/07/17/33/958071733.db2.gz MBXUMLCESIIBMU-MRVPVSSYSA-N -1 0 317.323 -0.895 20 0 DBADRM Cc1noc([C@@H](C)NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001349354853 958088822 /nfs/dbraw/zinc/08/88/22/958088822.db2.gz JRIFZXJQKIDVAJ-BWVDBABLSA-N -1 0 310.310 -0.075 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000089754399 958089155 /nfs/dbraw/zinc/08/91/55/958089155.db2.gz ZTZGLUJEUPCEOI-VIFPVBQESA-N -1 0 312.303 -0.532 20 0 DBADRM C[C@@](O)(CNC(=O)CSc1nnnn1C1CC1)C(=O)[O-] ZINC000090276382 958108720 /nfs/dbraw/zinc/10/87/20/958108720.db2.gz BVQLRPHPSITDDS-SNVBAGLBSA-N -1 0 301.328 -0.948 20 0 DBADRM COc1cc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)nn1C ZINC001594063109 958115431 /nfs/dbraw/zinc/11/54/31/958115431.db2.gz WNZVTXFJOQKRJZ-MRVPVSSYSA-N -1 0 310.310 -0.310 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)O3)c1C(=O)[O-] ZINC000090906495 958117397 /nfs/dbraw/zinc/11/73/97/958117397.db2.gz GLZGAOXLQDOTKY-OCAPTIKFSA-N -1 0 301.324 -0.032 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)N2CCS(=O)(=O)CC2)CCO1 ZINC000091296114 958133664 /nfs/dbraw/zinc/13/36/64/958133664.db2.gz TWXXLRCUHMCHMZ-SECBINFHSA-N -1 0 306.340 -0.988 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC(C)(C)F)C1 ZINC001353218729 958154590 /nfs/dbraw/zinc/15/45/90/958154590.db2.gz URDYZBANMHANTN-ZDUSSCGKSA-N -1 0 304.318 -0.200 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC001353923644 958164069 /nfs/dbraw/zinc/16/40/69/958164069.db2.gz ZWXFBLZTWGYRCS-NEPJUHHUSA-N -1 0 302.371 -0.505 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000092916077 958180382 /nfs/dbraw/zinc/18/03/82/958180382.db2.gz TUCQVQAGPDDROS-UTLUCORTSA-N -1 0 304.368 -0.268 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001594326747 958180514 /nfs/dbraw/zinc/18/05/14/958180514.db2.gz JBYMOPDISVFITL-LLVKDONJSA-N -1 0 310.306 -0.436 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001594326885 958182008 /nfs/dbraw/zinc/18/20/08/958182008.db2.gz LHBLPRKUCSNJGG-SNVBAGLBSA-N -1 0 324.289 -0.909 20 0 DBADRM Cc1cc(S(N)(=O)=O)ccc1CNC(=O)[C@H](C)C(=O)[O-] ZINC001594330795 958214662 /nfs/dbraw/zinc/21/46/62/958214662.db2.gz QRKHTPRQEASCSI-QMMMGPOBSA-N -1 0 300.336 -0.021 20 0 DBADRM Cc1cc(S(N)(=O)=O)ccc1CNC(=O)[C@@H](C)C(=O)[O-] ZINC001594330794 958214673 /nfs/dbraw/zinc/21/46/73/958214673.db2.gz QRKHTPRQEASCSI-MRVPVSSYSA-N -1 0 300.336 -0.021 20 0 DBADRM COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)NCC(=O)[O-] ZINC001594075725 958221527 /nfs/dbraw/zinc/22/15/27/958221527.db2.gz IHAUOVVQRJHBQP-UHFFFAOYSA-N -1 0 316.335 -0.240 20 0 DBADRM CC[C@H](C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)N1CCCC1=O ZINC001549220156 958252107 /nfs/dbraw/zinc/25/21/07/958252107.db2.gz FJKVREFHVLGSDU-RWSFTLGLSA-N -1 0 310.350 -0.053 20 0 DBADRM COc1ccc(C(=O)OCC(=O)C(=O)[O-])cc1S(C)(=O)=O ZINC001594080175 958253721 /nfs/dbraw/zinc/25/37/21/958253721.db2.gz SPQKXZWFVZUTRS-UHFFFAOYSA-N -1 0 316.287 -0.091 20 0 DBADRM O=C([O-])CC1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000093681253 958254623 /nfs/dbraw/zinc/25/46/23/958254623.db2.gz GNWYOPGWTQBMEY-LLVKDONJSA-N -1 0 318.395 -0.524 20 0 DBADRM CC(C)C(=O)NCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552403171 958315572 /nfs/dbraw/zinc/31/55/72/958315572.db2.gz PZLOUGAPYRXTOS-HZMBPMFUSA-N -1 0 313.354 -0.499 20 0 DBADRM Cn1nccc1CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552406034 958318531 /nfs/dbraw/zinc/31/85/31/958318531.db2.gz UJMTXDIXSZZPNH-HZMBPMFUSA-N -1 0 308.338 -0.295 20 0 DBADRM CCN1CC[C@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1=O ZINC001552778736 958319891 /nfs/dbraw/zinc/31/98/91/958319891.db2.gz BUEXNUDNNASQCS-BHDSKKPTSA-N -1 0 311.338 -0.650 20 0 DBADRM COc1ccc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])cn1 ZINC001594095880 958399943 /nfs/dbraw/zinc/39/99/43/958399943.db2.gz IJONZEDWDCSQTF-JTQLQIEISA-N -1 0 315.351 -0.026 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)NCCOCC(=O)[O-])s1 ZINC001594358670 958427923 /nfs/dbraw/zinc/42/79/23/958427923.db2.gz ODPYLEMEMVORHR-UHFFFAOYSA-N -1 0 300.336 -0.110 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)NCCCCC(=O)[O-])c(=O)n1C ZINC001594358872 958430963 /nfs/dbraw/zinc/43/09/63/958430963.db2.gz XIZLTFDHUUUPLJ-UHFFFAOYSA-N -1 0 323.349 -0.319 20 0 DBADRM CN1C(=O)C[C@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)C1=O ZINC000116073032 958458236 /nfs/dbraw/zinc/45/82/36/958458236.db2.gz MDMAHRJQEBSYTC-LURJTMIESA-N -1 0 318.332 -0.518 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001594107799 958489388 /nfs/dbraw/zinc/48/93/88/958489388.db2.gz YOXJUAAVLASXCK-NSHDSACASA-N -1 0 305.308 -0.485 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)C1CCOCC1 ZINC000125893725 958570859 /nfs/dbraw/zinc/57/08/59/958570859.db2.gz OAWZKNIOSXDKAY-SNVBAGLBSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1cc[nH]n1 ZINC000125897605 958571182 /nfs/dbraw/zinc/57/11/82/958571182.db2.gz HAGBGZOBTHSWAM-SECBINFHSA-N -1 0 301.324 -0.948 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])no1 ZINC000125944716 958573416 /nfs/dbraw/zinc/57/34/16/958573416.db2.gz JGOLAKQQGMWJDK-QMMMGPOBSA-N -1 0 302.308 -0.303 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc[nH]c1=O ZINC000125955269 958574721 /nfs/dbraw/zinc/57/47/21/958574721.db2.gz GMEBXDHJPIOSDF-QMMMGPOBSA-N -1 0 314.319 -0.499 20 0 DBADRM C[C@]1(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CCCO1 ZINC000125953058 958574798 /nfs/dbraw/zinc/57/47/98/958574798.db2.gz HPDYXFFZXBKFPD-BXKDBHETSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1ncccc1O ZINC000125962417 958574957 /nfs/dbraw/zinc/57/49/57/958574957.db2.gz TVZUKKXNFPZNDR-QMMMGPOBSA-N -1 0 314.319 -0.499 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1CCCn1ccnc1 ZINC000126305277 958585978 /nfs/dbraw/zinc/58/59/78/958585978.db2.gz RSFYYSXSMAWOJR-LLVKDONJSA-N -1 0 301.368 -0.153 20 0 DBADRM CCc1nc(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])no1 ZINC000126333016 958588045 /nfs/dbraw/zinc/58/80/45/958588045.db2.gz NPPLNEZNDXSXKO-MRVPVSSYSA-N -1 0 303.340 -0.294 20 0 DBADRM Cc1nnc(CNC(=O)NCCn2cc(C(=O)[O-])nn2)s1 ZINC000391749443 972366055 /nfs/dbraw/zinc/36/60/55/972366055.db2.gz WPXCWSKWDVCKJE-UHFFFAOYSA-N -1 0 311.327 -0.364 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](CN2CCOC[C@@H]2CC(=O)[O-])C1 ZINC000129939147 958721427 /nfs/dbraw/zinc/72/14/27/958721427.db2.gz LVTSXPXCTMCJAT-NEPJUHHUSA-N -1 0 320.411 -0.167 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NCC1(O)CCOCC1 ZINC000134726675 958860694 /nfs/dbraw/zinc/86/06/94/958860694.db2.gz FFNQBZWTSRWMEC-UHFFFAOYSA-N -1 0 322.364 -0.339 20 0 DBADRM COC[C@@H](NC(=O)c1c(C)[nH]c(=O)nc1SC)C(=O)[O-] ZINC000158305953 959088191 /nfs/dbraw/zinc/08/81/91/959088191.db2.gz OWZNDNQIGIGKKZ-ZCFIWIBFSA-N -1 0 301.324 -0.370 20 0 DBADRM COC[C@H](NC(=O)c1c(C)[nH]c(=O)nc1SC)C(=O)[O-] ZINC000158305821 959088941 /nfs/dbraw/zinc/08/89/41/959088941.db2.gz OWZNDNQIGIGKKZ-LURJTMIESA-N -1 0 301.324 -0.370 20 0 DBADRM NC(=O)CCNS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000158991479 959103736 /nfs/dbraw/zinc/10/37/36/959103736.db2.gz RDCVGFMACPIXDT-UHFFFAOYSA-N -1 0 312.347 -0.044 20 0 DBADRM CC1(O)CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000160506876 959151623 /nfs/dbraw/zinc/15/16/23/959151623.db2.gz BDWZUJHOYZBYNR-UHFFFAOYSA-N -1 0 306.384 -0.125 20 0 DBADRM CC1(C)CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C[C@H](CO)O1 ZINC000162987786 959223087 /nfs/dbraw/zinc/22/30/87/959223087.db2.gz BQARCWSYBJEMDY-SSDOTTSWSA-N -1 0 319.339 -0.732 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCC[C@@](C)(O)C2)c1C(=O)[O-] ZINC000163096988 959225414 /nfs/dbraw/zinc/22/54/14/959225414.db2.gz CMQFUKJBQFZOLG-LLVKDONJSA-N -1 0 303.340 -0.048 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000167101945 959335222 /nfs/dbraw/zinc/33/52/22/959335222.db2.gz ZVXSLMPRSHJEMQ-RKDXNWHRSA-N -1 0 318.351 -0.506 20 0 DBADRM COC[C@H](NC(=O)CS[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000167310987 959341568 /nfs/dbraw/zinc/34/15/68/959341568.db2.gz IHBARIXAJTWAAG-YUMQZZPRSA-N -1 0 311.381 -0.878 20 0 DBADRM O=C([O-])[C@H]1CSCCN1C(=O)[C@H]1CCCCS1(=O)=O ZINC000167998852 959371394 /nfs/dbraw/zinc/37/13/94/959371394.db2.gz NUMZAOXXJFYESZ-RKDXNWHRSA-N -1 0 307.393 -0.018 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)COc1cc(C)on1)C(=O)[O-] ZINC000168726823 959386781 /nfs/dbraw/zinc/38/67/81/959386781.db2.gz ACRYFTRBWDEGGX-MRVPVSSYSA-N -1 0 300.267 -0.116 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000169241822 959405560 /nfs/dbraw/zinc/40/55/60/959405560.db2.gz WRXXZGXBYYTQSW-JKNYTWMOSA-N -1 0 303.344 -0.958 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCN2CC=CCC2)cn1 ZINC000392254135 972434268 /nfs/dbraw/zinc/43/42/68/972434268.db2.gz LGFARHZWXDZENE-UHFFFAOYSA-N -1 0 314.367 -0.492 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC000214791402 959741470 /nfs/dbraw/zinc/74/14/70/959741470.db2.gz LZXZXBLQTWQFCR-MRVPVSSYSA-N -1 0 311.381 -0.229 20 0 DBADRM CCN(C)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000217882803 959779866 /nfs/dbraw/zinc/77/98/66/959779866.db2.gz GZHVLJGLIAVAFW-UHFFFAOYSA-N -1 0 303.340 -0.520 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000223693567 959838772 /nfs/dbraw/zinc/83/87/72/959838772.db2.gz SUFSNJRIFXQSBB-UHFFFAOYSA-N -1 0 316.335 -0.240 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000223701289 959840131 /nfs/dbraw/zinc/84/01/31/959840131.db2.gz SOABLZZTNVAABS-SSDOTTSWSA-N -1 0 316.335 -0.194 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC000226466308 959880393 /nfs/dbraw/zinc/88/03/93/959880393.db2.gz RPZCYHSRQVTMGJ-LURJTMIESA-N -1 0 323.348 -0.433 20 0 DBADRM CC(C)(CC(N)=O)NS(=O)(=O)c1scnc1C(=O)[O-] ZINC000227053629 959914270 /nfs/dbraw/zinc/91/42/70/959914270.db2.gz UQTKBBBJHMFYSX-UHFFFAOYSA-N -1 0 307.353 -0.226 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NC[C@]1(O)CCOC1 ZINC000227114840 959921263 /nfs/dbraw/zinc/92/12/63/959921263.db2.gz CCXXSVWPAXOLSK-SECBINFHSA-N -1 0 308.337 -0.729 20 0 DBADRM CC(C)C1(O)CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000227252745 959938945 /nfs/dbraw/zinc/93/89/45/959938945.db2.gz KFOUWDUBBNQAQH-UHFFFAOYSA-N -1 0 303.340 -0.641 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2C[C@@H](CO)OC[C@H]2C)c1C(=O)[O-] ZINC000227362005 959944544 /nfs/dbraw/zinc/94/45/44/959944544.db2.gz CXAXYDOWNFQNMN-SVRRBLITSA-N -1 0 319.339 -0.813 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC(=O)N2CCCC2)c[nH]1 ZINC000228792035 960042770 /nfs/dbraw/zinc/04/27/70/960042770.db2.gz NVUJEGDSTQMPLL-UHFFFAOYSA-N -1 0 301.324 -0.386 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N[C@H]2CNC(=O)C2)c1 ZINC000229022609 960053019 /nfs/dbraw/zinc/05/30/19/960053019.db2.gz OBFCRUHRKZDIMN-SSDOTTSWSA-N -1 0 302.283 -0.309 20 0 DBADRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CNC(=O)C1 ZINC000229022787 960053093 /nfs/dbraw/zinc/05/30/93/960053093.db2.gz BWZLYZLCEKEQNA-QMMMGPOBSA-N -1 0 316.310 -0.001 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000229033330 960053798 /nfs/dbraw/zinc/05/37/98/960053798.db2.gz QGFDBDYAVDYDNP-QMMMGPOBSA-N -1 0 307.299 -0.191 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000229029961 960054063 /nfs/dbraw/zinc/05/40/63/960054063.db2.gz AVBFSJWETOKGCD-SNVBAGLBSA-N -1 0 303.336 -0.021 20 0 DBADRM C[C@@H]1CN(CC(=O)N2CCC(C(=O)[O-])CC2)C[C@@H](CO)O1 ZINC000229974272 960103399 /nfs/dbraw/zinc/10/33/99/960103399.db2.gz UVZTYYWUWPDNKC-PWSUYJOCSA-N -1 0 300.355 -0.609 20 0 DBADRM COC[C@H](O)CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000230131681 960128899 /nfs/dbraw/zinc/12/88/99/960128899.db2.gz DDGWFZOVJMURAD-SNVBAGLBSA-N -1 0 310.372 -0.985 20 0 DBADRM COCC[C@](C)(O)CNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000230223019 960131508 /nfs/dbraw/zinc/13/15/08/960131508.db2.gz IYCUDFBUAQJMRN-JTQLQIEISA-N -1 0 324.380 -0.093 20 0 DBADRM COCC[C@](C)(O)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000230222716 960132023 /nfs/dbraw/zinc/13/20/23/960132023.db2.gz WYWJAZYFYWUBLL-NSHDSACASA-N -1 0 306.340 -0.221 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@@H](C)[C@@H](O)C2)c1C(=O)[O-] ZINC000230232822 960132633 /nfs/dbraw/zinc/13/26/33/960132633.db2.gz WTGXAQMDVOISMS-SVRRBLITSA-N -1 0 303.340 -0.192 20 0 DBADRM CNC(=O)[C@]1(C)CCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000230895656 960170580 /nfs/dbraw/zinc/17/05/80/960170580.db2.gz IRIBNROIUCKSRK-LLVKDONJSA-N -1 0 307.372 -0.904 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)Cc1ccccc1C(=O)[O-] ZINC000230986482 960175154 /nfs/dbraw/zinc/17/51/54/960175154.db2.gz IMYXVMDQZBEJPV-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)c1ccnc(C(=O)[O-])c1 ZINC000231024606 960178148 /nfs/dbraw/zinc/17/81/48/960178148.db2.gz ATVZSDVEHREDIG-UHFFFAOYSA-N -1 0 301.324 -0.599 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)[C@@H](C)C(=O)NCCC(C)C)C(=O)[O-] ZINC000232553471 960282458 /nfs/dbraw/zinc/28/24/58/960282458.db2.gz CVYFSSWIBOUWHR-SISYYIAVSA-N -1 0 320.411 -0.125 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)CC(=O)N[C@H](C)C(C)C)C(=O)[O-] ZINC000232683033 960291148 /nfs/dbraw/zinc/29/11/48/960291148.db2.gz XIFYHMFWRSYZBL-CBBHYXBPSA-N -1 0 306.384 -0.515 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)CC(=O)N[C@H](C)C(C)C)C(=O)[O-] ZINC000232682436 960291504 /nfs/dbraw/zinc/29/15/04/960291504.db2.gz HPRSBTOHGVDJJX-SCZZXKLOSA-N -1 0 322.383 -0.849 20 0 DBADRM CCOC(=O)N1CCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC000233668661 960323985 /nfs/dbraw/zinc/32/39/85/960323985.db2.gz TZAZVCLNFCQUQI-UHFFFAOYSA-N -1 0 303.315 -0.429 20 0 DBADRM CC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000233847561 960329132 /nfs/dbraw/zinc/32/91/32/960329132.db2.gz VOFUUPUNMHELTO-MRTMQBJTSA-N -1 0 322.383 -0.706 20 0 DBADRM CN(C)C(=O)N1CCC(C(=O)NCC[C@H](O)C(=O)[O-])CC1 ZINC000234228359 960345560 /nfs/dbraw/zinc/34/55/60/960345560.db2.gz AVMDCIPKAVIXIE-JTQLQIEISA-N -1 0 301.343 -0.668 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])C[C@@H]1OC ZINC000234919065 960377042 /nfs/dbraw/zinc/37/70/42/960377042.db2.gz FHEXSIIRGXJCMZ-KNVOCYPGSA-N -1 0 322.364 -0.124 20 0 DBADRM CSc1nc(=O)[nH]c(C)c1C(=O)NCC[C@H](O)C(=O)[O-] ZINC000235065432 960383425 /nfs/dbraw/zinc/38/34/25/960383425.db2.gz MXYMXVCSAMFMBB-LURJTMIESA-N -1 0 301.324 -0.634 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@H](O)C(F)(F)F)CC1 ZINC000236522370 960698939 /nfs/dbraw/zinc/69/89/39/960698939.db2.gz VGMJHWVDHAAPKO-ZETCQYMHSA-N -1 0 320.289 -0.459 20 0 DBADRM C[C@@H](NC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001571076960 960963315 /nfs/dbraw/zinc/96/33/15/960963315.db2.gz OJBQGRUIGLGIBP-MRVPVSSYSA-N -1 0 302.327 -0.052 20 0 DBADRM COC(=O)[C@@H](COC1CCC1)N(C)C(=O)COCC(=O)[O-] ZINC001571080280 960995064 /nfs/dbraw/zinc/99/50/64/960995064.db2.gz PPCYPXCKQMAQBX-SNVBAGLBSA-N -1 0 303.311 -0.343 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2ccc(-c3nn[nH]n3)cn2)CCOC1 ZINC001571085741 961056156 /nfs/dbraw/zinc/05/61/56/961056156.db2.gz SJBCGYNBKWWSMI-GFCCVEGCSA-N -1 0 304.266 -0.765 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001571087632 961085152 /nfs/dbraw/zinc/08/51/52/961085152.db2.gz HPXIEGUSFSTHOL-HLTSFMKQSA-N -1 0 305.356 -0.830 20 0 DBADRM CNC(=O)C1(NC(=O)c2ccc(C(=O)[O-])nc2)CCOCC1 ZINC001571095844 961158185 /nfs/dbraw/zinc/15/81/85/961158185.db2.gz FHNAVUFSVVJWSI-UHFFFAOYSA-N -1 0 307.306 -0.195 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)[nH]1 ZINC001571097156 961184538 /nfs/dbraw/zinc/18/45/38/961184538.db2.gz VYZPABVUIDZQMI-WDEREUQCSA-N -1 0 307.354 -0.132 20 0 DBADRM Cn1nnnc1C1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001571101821 961233739 /nfs/dbraw/zinc/23/37/39/961233739.db2.gz GKBCUQDRJSTEQO-AOOOYVTPSA-N -1 0 308.342 -0.038 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000251919789 961260538 /nfs/dbraw/zinc/26/05/38/961260538.db2.gz QAQQECYSCIWHRJ-VHSXEESVSA-N -1 0 306.384 -0.525 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000252609287 961279889 /nfs/dbraw/zinc/27/98/89/961279889.db2.gz TUCQVQAGPDDROS-KXUCPTDWSA-N -1 0 304.368 -0.268 20 0 DBADRM C[C@H]1CN(C(=O)NCCN2CCNC(=O)C2)CC[C@H]1C(=O)[O-] ZINC001571115100 961378607 /nfs/dbraw/zinc/37/86/07/961378607.db2.gz FEZBDLMGHPAAEO-WDEREUQCSA-N -1 0 312.370 -0.830 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000262112923 961472033 /nfs/dbraw/zinc/47/20/33/961472033.db2.gz IVBXGNTWELUQEH-SSDOTTSWSA-N -1 0 302.308 -0.259 20 0 DBADRM CCC[C@@](C)(NC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-] ZINC000262347775 961659744 /nfs/dbraw/zinc/65/97/44/961659744.db2.gz AUBAWGGENGPFLW-CYBMUJFWSA-N -1 0 311.342 -0.261 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001485573941 1013276324 /nfs/dbraw/zinc/27/63/24/1013276324.db2.gz KGCHCLNXUHWQJQ-BDAKNGLRSA-N -1 0 324.385 -0.652 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001574497272 961739049 /nfs/dbraw/zinc/73/90/49/961739049.db2.gz UVCURGHGXKOBAX-FYBVGQRMSA-N -1 0 307.310 -0.911 20 0 DBADRM CN1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)[C@@H](CO)C1 ZINC001598620341 1017350383 /nfs/dbraw/zinc/35/03/83/1017350383.db2.gz YANNJLZSVFAREF-LLVKDONJSA-N -1 0 314.363 -0.318 20 0 DBADRM CN1CCN(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC001598621183 1017351314 /nfs/dbraw/zinc/35/13/14/1017351314.db2.gz LJNOVUIWUZDGSR-MNOVXSKESA-N -1 0 321.399 -0.910 20 0 DBADRM O=C([O-])COCC(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001571160119 961917939 /nfs/dbraw/zinc/91/79/39/961917939.db2.gz UCAPRQPNJMKJAL-UHFFFAOYSA-N -1 0 323.305 -0.406 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cc(C(=O)[O-])nn2C)O1 ZINC001571164025 961962687 /nfs/dbraw/zinc/96/26/87/961962687.db2.gz ZSOVEADHOUOFQM-KCJUWKMLSA-N -1 0 324.337 -0.516 20 0 DBADRM CN1CCO[C@@H](C(=O)NC[C@H](C(=O)[O-])c2ccccc2)C1=O ZINC001598623862 1017354345 /nfs/dbraw/zinc/35/43/45/1017354345.db2.gz BEDNOWRGGFTYHC-RYUDHWBXSA-N -1 0 306.318 -0.172 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N[C@H]1CCNC1=O ZINC001350466490 962542448 /nfs/dbraw/zinc/54/24/48/962542448.db2.gz ZHTWHXMPPDCGPY-JTQLQIEISA-N -1 0 305.290 -0.743 20 0 DBADRM C=CS(=O)(=O)CCC(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001573337820 962867573 /nfs/dbraw/zinc/86/75/73/962867573.db2.gz VITKDDBUCSKIJL-JTQLQIEISA-N -1 0 301.324 -0.390 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)CC(=O)N[C@@H](C)C(C)C)C(=O)[O-] ZINC000300450039 963009578 /nfs/dbraw/zinc/00/95/78/963009578.db2.gz XIFYHMFWRSYZBL-JNMGVNSFSA-N -1 0 306.384 -0.515 20 0 DBADRM CN(CCOCCO)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000305972797 963169655 /nfs/dbraw/zinc/16/96/55/963169655.db2.gz GWDSZYMGQMMACE-UHFFFAOYSA-N -1 0 310.353 -0.529 20 0 DBADRM CC(=O)NCCN(C)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000308173947 963264171 /nfs/dbraw/zinc/26/41/71/963264171.db2.gz YLEBXEPTMBAKFH-UHFFFAOYSA-N -1 0 307.353 -0.402 20 0 DBADRM Cn1nnc(Br)c1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000310823301 963436943 /nfs/dbraw/zinc/43/69/43/963436943.db2.gz BYFRWURIBXYFPV-RXMQYKEDSA-N -1 0 319.115 -0.497 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)c2cccc(CC(=O)[O-])c2)CCO1 ZINC001598636687 1017362525 /nfs/dbraw/zinc/36/25/25/1017362525.db2.gz ABNMYLDTKPSOLI-LBPRGKRZSA-N -1 0 306.318 -0.099 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC000311495429 963484182 /nfs/dbraw/zinc/48/41/82/963484182.db2.gz DAPSKGPGZVZOBC-VIFPVBQESA-N -1 0 313.397 -0.310 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000311769214 963509995 /nfs/dbraw/zinc/50/99/95/963509995.db2.gz VSSHVLJJEBPAGN-ZETCQYMHSA-N -1 0 309.365 -0.190 20 0 DBADRM Cc1cc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)ccc1C(=O)[O-] ZINC000312247568 963547819 /nfs/dbraw/zinc/54/78/19/963547819.db2.gz LYAWOLRTLOMKEI-QWRGUYRKSA-N -1 0 301.320 -0.581 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000312281814 963549839 /nfs/dbraw/zinc/54/98/39/963549839.db2.gz ODMAIYJVQWZQQE-SNVBAGLBSA-N -1 0 303.336 -0.021 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000312317734 963553726 /nfs/dbraw/zinc/55/37/26/963553726.db2.gz REGMSRLCHDJMGN-VIFPVBQESA-N -1 0 307.372 -0.762 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCC[C@H]2CCO)CC1 ZINC000312343016 963554999 /nfs/dbraw/zinc/55/49/99/963554999.db2.gz GWUIAFDAUCPSGZ-NSHDSACASA-N -1 0 306.384 -0.125 20 0 DBADRM COCCOCCNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000312710885 963587111 /nfs/dbraw/zinc/58/71/11/963587111.db2.gz STQYIKKAHYPQOT-UHFFFAOYSA-N -1 0 304.324 -0.279 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000312738977 963588791 /nfs/dbraw/zinc/58/87/91/963588791.db2.gz UWDHGATVSISUGI-GFCCVEGCSA-N -1 0 305.400 -0.335 20 0 DBADRM CN(c1nccc(C(=O)[O-])n1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000312914807 963604192 /nfs/dbraw/zinc/60/41/92/963604192.db2.gz BWKBPINJNQEGJL-QMMMGPOBSA-N -1 0 300.340 -0.355 20 0 DBADRM CCN([C@@H]1CCOC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000313125163 963620186 /nfs/dbraw/zinc/62/01/86/963620186.db2.gz PNLSGFGKODXRJO-SECBINFHSA-N -1 0 303.340 -0.233 20 0 DBADRM Cn1cnc(CCNS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000313195978 963622533 /nfs/dbraw/zinc/62/25/33/963622533.db2.gz HOVVZQQCNBDSAC-UHFFFAOYSA-N -1 0 313.339 -0.778 20 0 DBADRM C[C@](CO)(NC(=O)CCNC(=O)c1cccs1)C(=O)[O-] ZINC000313503212 963650374 /nfs/dbraw/zinc/65/03/74/963650374.db2.gz FFYBCICKYRYEFD-GFCCVEGCSA-N -1 0 300.336 -0.180 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])cc1OC ZINC000313534403 963663417 /nfs/dbraw/zinc/66/34/17/963663417.db2.gz FXZZLQCHEWTUCQ-GFCCVEGCSA-N -1 0 319.335 -0.182 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CCC(O)(CO)CC1 ZINC000313616907 963670854 /nfs/dbraw/zinc/67/08/54/963670854.db2.gz FJCBYEFGRMYLKK-UHFFFAOYSA-N -1 0 322.364 -0.651 20 0 DBADRM O=C([O-])c1csc(S(=O)(=O)N2CCC(O)(CO)CC2)c1 ZINC000313636227 963672089 /nfs/dbraw/zinc/67/20/89/963672089.db2.gz VMFLVSKDESHMRN-UHFFFAOYSA-N -1 0 321.376 -0.046 20 0 DBADRM CC1(C)CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC[C@@H]1O ZINC000313685931 963675333 /nfs/dbraw/zinc/67/53/33/963675333.db2.gz DNYBCSVTOSYPGZ-JTQLQIEISA-N -1 0 317.367 -0.251 20 0 DBADRM N#Cc1cncc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000314155502 963718175 /nfs/dbraw/zinc/71/81/75/963718175.db2.gz JGOXBEYYSXKEKB-JTQLQIEISA-N -1 0 311.319 -0.183 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000314327526 963741899 /nfs/dbraw/zinc/74/18/99/963741899.db2.gz CPWRAZSITDZONM-PSASIEDQSA-N -1 0 306.274 -0.323 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000314550550 963767888 /nfs/dbraw/zinc/76/78/88/963767888.db2.gz YTOMQBIKNKJQCU-UHFFFAOYSA-N -1 0 303.274 -0.129 20 0 DBADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC000314608559 963777258 /nfs/dbraw/zinc/77/72/58/963777258.db2.gz HDFRLOWLDQSJQE-VIFPVBQESA-N -1 0 314.319 -0.037 20 0 DBADRM COCC[C@H](COC)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000314875858 963823975 /nfs/dbraw/zinc/82/39/75/963823975.db2.gz KYUWRLACDFNZNN-SECBINFHSA-N -1 0 321.355 -0.703 20 0 DBADRM C[C@@](NC(=O)CN1C(=O)CNC1=O)(C(=O)[O-])c1ccccc1 ZINC000315097780 963856503 /nfs/dbraw/zinc/85/65/03/963856503.db2.gz SKKKVNGOMNDFHZ-AWEZNQCLSA-N -1 0 305.290 -0.346 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2CCCCC[C@@H]2C(=O)[O-])c1=O ZINC000315298542 963876483 /nfs/dbraw/zinc/87/64/83/963876483.db2.gz QVQSQTFYUGSXAM-SNVBAGLBSA-N -1 0 309.322 -0.597 20 0 DBADRM COc1ccc(O)c(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000315373360 963891604 /nfs/dbraw/zinc/89/16/04/963891604.db2.gz JNPYRMDYSMXFJP-SNVBAGLBSA-N -1 0 308.290 -0.184 20 0 DBADRM CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315401446 963895105 /nfs/dbraw/zinc/89/51/05/963895105.db2.gz AQQRBCIENJOUCG-ZETCQYMHSA-N -1 0 303.296 -0.728 20 0 DBADRM CCCN(CC(=O)OC)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315468293 963905371 /nfs/dbraw/zinc/90/53/71/963905371.db2.gz UOBIYVYHIHUNMK-UHFFFAOYSA-N -1 0 306.296 -0.054 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000315488513 963907665 /nfs/dbraw/zinc/90/76/65/963907665.db2.gz WTZYETJCBZPXBP-JTQLQIEISA-N -1 0 303.278 -0.627 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCc2ccncc2)nn1 ZINC000315961482 963958092 /nfs/dbraw/zinc/95/80/92/963958092.db2.gz WRMKKDSCEWSLAX-UHFFFAOYSA-N -1 0 304.310 -0.087 20 0 DBADRM CN(C)c1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cn1 ZINC000316138175 963981288 /nfs/dbraw/zinc/98/12/88/963981288.db2.gz PLPSVXGLDRFPNL-SNVBAGLBSA-N -1 0 306.322 -0.437 20 0 DBADRM CN(C)c1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cn1 ZINC000316138172 963981547 /nfs/dbraw/zinc/98/15/47/963981547.db2.gz PLPSVXGLDRFPNL-JTQLQIEISA-N -1 0 306.322 -0.437 20 0 DBADRM O=C([O-])c1ccc(CS(=O)(=O)N2C[C@H](CO)[C@H](O)C2)cc1 ZINC000316344813 964005569 /nfs/dbraw/zinc/00/55/69/964005569.db2.gz DJGKWKBFMYBZLT-VXGBXAGGSA-N -1 0 315.347 -0.500 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000316387375 964007722 /nfs/dbraw/zinc/00/77/22/964007722.db2.gz KGQLQHBPWYKUAA-BQBZGAKWSA-N -1 0 307.349 -0.580 20 0 DBADRM Cc1oc(C)c(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)c1C(=O)[O-] ZINC000316415101 964009924 /nfs/dbraw/zinc/00/99/24/964009924.db2.gz OMTFUPAXKGUNRU-BDAKNGLRSA-N -1 0 319.335 -0.432 20 0 DBADRM Cc1oc(C)c(S(=O)(=O)N2C[C@H](O)[C@H](CO)C2)c1C(=O)[O-] ZINC000316415103 964010485 /nfs/dbraw/zinc/01/04/85/964010485.db2.gz OMTFUPAXKGUNRU-IUCAKERBSA-N -1 0 319.335 -0.432 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)Cn2ccc(=O)[nH]c2=O)cn1 ZINC000316476236 964016505 /nfs/dbraw/zinc/01/65/05/964016505.db2.gz MVOKSPBBORXDNU-UHFFFAOYSA-N -1 0 304.262 -0.642 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)[O-] ZINC000316619339 964031821 /nfs/dbraw/zinc/03/18/21/964031821.db2.gz BKTZNSHFGDNACL-KWQFWETISA-N -1 0 309.274 -0.041 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC000316730651 964048276 /nfs/dbraw/zinc/04/82/76/964048276.db2.gz AGXPDDZGFXZUEO-WCBMZHEXSA-N -1 0 312.322 -0.480 20 0 DBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000316796498 964056094 /nfs/dbraw/zinc/05/60/94/964056094.db2.gz GSBRWRJFRUWGAW-GXSJLCMTSA-N -1 0 315.347 -0.333 20 0 DBADRM Cc1cccnc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001485984403 1013498764 /nfs/dbraw/zinc/49/87/64/1013498764.db2.gz KXDFNOSQXUKCAJ-SECBINFHSA-N -1 0 306.326 -0.906 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2nc(C)c(C)o2)c1[O-] ZINC001485986560 1013504117 /nfs/dbraw/zinc/50/41/17/1013504117.db2.gz DDTSVTFZFDHKEV-SNVBAGLBSA-N -1 0 323.353 -0.091 20 0 DBADRM CNC(=O)NCCNS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001598651359 1017368072 /nfs/dbraw/zinc/36/80/72/1017368072.db2.gz WAWOYLWNXRIRKK-UHFFFAOYSA-N -1 0 315.351 -0.267 20 0 DBADRM CC(F)(F)CCC(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001486007943 1013551677 /nfs/dbraw/zinc/55/16/77/1013551677.db2.gz FJLGLHXMFVOQAI-SSDOTTSWSA-N -1 0 307.301 -0.488 20 0 DBADRM CC(C)(C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C1CCC1 ZINC001486021683 1013576067 /nfs/dbraw/zinc/57/60/67/1013576067.db2.gz YFPMDESRGHMAQA-JTQLQIEISA-N -1 0 311.386 -0.097 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H]1CC12CCCC2 ZINC001486050589 1013627082 /nfs/dbraw/zinc/62/70/82/1013627082.db2.gz HXVYJBAVCAICKT-NXEZZACHSA-N -1 0 309.370 -0.343 20 0 DBADRM CNC(=O)N[C@@H]1CCN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001598653729 1017372726 /nfs/dbraw/zinc/37/27/26/1017372726.db2.gz YIULPUXFMBIDHD-RBQUTUCGSA-N -1 0 310.354 -0.047 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)c2cc(C(=O)[O-])on2)CCO1 ZINC001598652498 1017372737 /nfs/dbraw/zinc/37/27/37/1017372737.db2.gz RULPYVBYPHUSRH-ZETCQYMHSA-N -1 0 312.282 -0.857 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@H]1CCCNC1=O)OC ZINC001599046646 1017494108 /nfs/dbraw/zinc/49/41/08/1017494108.db2.gz KFYMARAUGQWFKO-VIFPVBQESA-N -1 0 302.327 -0.565 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@@H](C(=O)[O-])C1CC1)[C@@H]1CCOC1 ZINC001599060309 1017501572 /nfs/dbraw/zinc/50/15/72/1017501572.db2.gz UVIIEBQUVCBVHX-GMTAPVOTSA-N -1 0 307.368 -0.180 20 0 DBADRM CO[C@H]1COCC[C@@H]1CNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001599141619 1017527466 /nfs/dbraw/zinc/52/74/66/1017527466.db2.gz XOSNSADQZYNDDN-ZJUUUORDSA-N -1 0 307.368 -0.035 20 0 DBADRM CS(=O)(=O)C1CN(S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001599747273 1017617501 /nfs/dbraw/zinc/61/75/01/1017617501.db2.gz MZPWRUDJRFQLQZ-UHFFFAOYSA-N -1 0 309.321 -0.605 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])nc1Cl ZINC001600968368 1017758960 /nfs/dbraw/zinc/75/89/60/1017758960.db2.gz IBOBBJKVSCVLGF-HTRCEHHLSA-N -1 0 323.758 -0.159 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@H](C(=O)[O-])c1cccnc1 ZINC001601193288 1017824090 /nfs/dbraw/zinc/82/40/90/1017824090.db2.gz SXCPJIJEQBTRKU-JTQLQIEISA-N -1 0 301.324 -0.608 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001603133862 1018120934 /nfs/dbraw/zinc/12/09/34/1018120934.db2.gz OJKMSJNQBXDAMM-DTWKUNHWSA-N -1 0 324.424 -0.458 20 0 DBADRM CCCN(C)C(=O)[C@@H]1CSCN1C(=O)COCC(=O)[O-] ZINC001603655262 1018215515 /nfs/dbraw/zinc/21/55/15/1018215515.db2.gz ZCSXDCYPLNWDGQ-VIFPVBQESA-N -1 0 304.368 -0.143 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000038030077 967517112 /nfs/dbraw/zinc/51/71/12/967517112.db2.gz OWKGZIYWWZVHET-QMMMGPOBSA-N -1 0 315.355 -0.304 20 0 DBADRM NS(=O)(=O)c1ccc(NCC(=O)NCC(=O)[O-])c(F)c1 ZINC000071390768 967559178 /nfs/dbraw/zinc/55/91/78/967559178.db2.gz HRNSUUAAHHPTIL-UHFFFAOYSA-N -1 0 305.287 -0.914 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000166166632 967672583 /nfs/dbraw/zinc/67/25/83/967672583.db2.gz PNPGKUFHRNDNQF-SECBINFHSA-N -1 0 322.383 -0.400 20 0 DBADRM O=C([O-])C[C@H]1CCCCN1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000245225631 967789132 /nfs/dbraw/zinc/78/91/32/967789132.db2.gz ZRCHDZHKXAYNDG-WDEREUQCSA-N -1 0 318.395 -0.381 20 0 DBADRM COC(=O)C(C)(C)N(C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606315487 1018810185 /nfs/dbraw/zinc/81/01/85/1018810185.db2.gz DNTDTTMKYYIECC-UHFFFAOYSA-N -1 0 306.296 -0.055 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1CC[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000261977088 967807567 /nfs/dbraw/zinc/80/75/67/967807567.db2.gz BTTPOCMVQNXVNE-NXEZZACHSA-N -1 0 306.384 -0.115 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)NCCC2CS(=O)(=O)C2)C1 ZINC001606445969 1018839585 /nfs/dbraw/zinc/83/95/85/1018839585.db2.gz WAHBMGDTPDIFOD-JTQLQIEISA-N -1 0 304.368 -0.073 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000314099109 967965627 /nfs/dbraw/zinc/96/56/27/967965627.db2.gz BKSLOWHENVEOTD-UHFFFAOYSA-N -1 0 315.351 -0.603 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000314871660 967970435 /nfs/dbraw/zinc/97/04/35/967970435.db2.gz XZVNFTMFKDXUQP-JTQLQIEISA-N -1 0 321.399 -0.372 20 0 DBADRM COC[C@](C)(O)CCNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001606792094 1018877605 /nfs/dbraw/zinc/87/76/05/1018877605.db2.gz IGBBHEOQEKZZAY-OPQQBVKSSA-N -1 0 304.343 -0.749 20 0 DBADRM COCCc1nnc(SC[C@H]2CC(C(=O)[O-])=NO2)n1N ZINC001606923488 1018894867 /nfs/dbraw/zinc/89/48/67/1018894867.db2.gz PHTPRBWLGCLUHJ-ZCFIWIBFSA-N -1 0 301.328 -0.498 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000318209581 967990194 /nfs/dbraw/zinc/99/01/94/967990194.db2.gz FWZCHLMEHHVJPK-SNVBAGLBSA-N -1 0 305.294 -0.645 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC000319298180 967998214 /nfs/dbraw/zinc/99/82/14/967998214.db2.gz IEWRCFASMBAUGZ-UHFFFAOYSA-N -1 0 308.294 -0.376 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000380151444 968079569 /nfs/dbraw/zinc/07/95/69/968079569.db2.gz SHNDJCCMCAHWOQ-UHFFFAOYSA-N -1 0 304.324 -0.650 20 0 DBADRM CC(C)C[C@H](CNC(=O)CNS(=O)(=O)N(C)C)C(=O)[O-] ZINC000380363686 968080838 /nfs/dbraw/zinc/08/08/38/968080838.db2.gz OLYWOEPTOIIGAD-SECBINFHSA-N -1 0 309.388 -0.755 20 0 DBADRM C[C@H](C(=O)[O-])N(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000383012872 968105111 /nfs/dbraw/zinc/10/51/11/968105111.db2.gz CAFMHRRWRQDFHX-RKDXNWHRSA-N -1 0 304.368 -0.773 20 0 DBADRM CC(C)(C)C[C@H](O)CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001609656020 1019543506 /nfs/dbraw/zinc/54/35/06/1019543506.db2.gz BNKWQJJJGXPMKI-NXEZZACHSA-N -1 0 300.355 -0.025 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)C1=CCCC1 ZINC001486330938 1013815564 /nfs/dbraw/zinc/81/55/64/1013815564.db2.gz KGSBDOOIFBRXOJ-NSHDSACASA-N -1 0 309.370 -0.128 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]2CN(C)C(=O)CC(N)=O)c1[O-] ZINC001486546465 1013857658 /nfs/dbraw/zinc/85/76/58/1013857658.db2.gz NUCUWWAXPDRYGB-VIFPVBQESA-N -1 0 323.353 -0.638 20 0 DBADRM CCC(=O)N[C@@H](C)[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001486623896 1013865421 /nfs/dbraw/zinc/86/54/21/1013865421.db2.gz IDDMKTYGZFFRPW-DTWKUNHWSA-N -1 0 320.353 -0.509 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)c1ccc[nH]1 ZINC001486948269 1013906256 /nfs/dbraw/zinc/90/62/56/1013906256.db2.gz LMWBGZYNQODVSR-QMMMGPOBSA-N -1 0 322.325 -0.706 20 0 DBADRM CCN([C@H]1CCNC1=O)S(=O)(=O)c1occc1C(=O)[O-] ZINC001596196279 1017120025 /nfs/dbraw/zinc/12/00/25/1017120025.db2.gz FCEADBCRVZNANB-QMMMGPOBSA-N -1 0 302.308 -0.123 20 0 DBADRM CCC(=O)N1CC([C@H](C)NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001487195111 1013958122 /nfs/dbraw/zinc/95/81/22/1013958122.db2.gz PGZKVMPOJUTLAG-QMMMGPOBSA-N -1 0 323.353 -0.412 20 0 DBADRM CCCC(=O)N1C[C@@H]2[C@@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001487320550 1013972363 /nfs/dbraw/zinc/97/23/63/1013972363.db2.gz BQXARVKMIOBBHR-OWUUHHOZSA-N -1 0 323.353 -0.690 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CC3(C2)CC(=O)Nc2nccn23)CCCO1 ZINC001606559009 970345341 /nfs/dbraw/zinc/34/53/41/970345341.db2.gz CIFGZCQRZBGKNS-CQSZACIVSA-N -1 0 320.305 -0.603 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000317967455 970399470 /nfs/dbraw/zinc/39/94/70/970399470.db2.gz BDWZVOOGMSUWOU-MRVPVSSYSA-N -1 0 312.330 -0.858 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(C[C@@H]3CCCO3)CC2)O1 ZINC000318564008 970446230 /nfs/dbraw/zinc/44/62/30/970446230.db2.gz OLJQHOZYQYFEAU-XQQFMLRXSA-N -1 0 312.366 -0.058 20 0 DBADRM C[C@H](CCCNC(=O)C1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001487525343 1014000148 /nfs/dbraw/zinc/00/01/48/1014000148.db2.gz QCGWEVZPWLLJKE-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CC[C@@H](C)C[C@@H]2C(=O)[O-])CC1 ZINC000319341825 970526725 /nfs/dbraw/zinc/52/67/25/970526725.db2.gz UAYUHOWMIZKFMH-DGCLKSJQSA-N -1 0 311.382 -0.138 20 0 DBADRM CCNC(=O)CNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000320266834 970641008 /nfs/dbraw/zinc/64/10/08/970641008.db2.gz SJHDAPFGYMNEQX-UHFFFAOYSA-N -1 0 322.321 -0.241 20 0 DBADRM COCCn1cc(NC(=O)NCCn2cc(C(=O)[O-])nn2)cn1 ZINC000320900029 970727736 /nfs/dbraw/zinc/72/77/36/970727736.db2.gz INDGTAKNZJTUKQ-UHFFFAOYSA-N -1 0 323.313 -0.359 20 0 DBADRM NC(=O)CC1CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)CC1 ZINC000321303824 970759999 /nfs/dbraw/zinc/75/99/99/970759999.db2.gz VUMLIYJYDVDUGA-UHFFFAOYSA-N -1 0 324.341 -0.727 20 0 DBADRM COC[C@@](C)(NCC(=O)NC(=O)NC1CCCC1)C(=O)[O-] ZINC000392842486 972533018 /nfs/dbraw/zinc/53/30/18/972533018.db2.gz ADKHWGZCQRYHGI-CYBMUJFWSA-N -1 0 301.343 -0.166 20 0 DBADRM Cc1nnc(CNS(=O)(=O)c2scnc2C(=O)[O-])n1C ZINC000393224037 972572692 /nfs/dbraw/zinc/57/26/92/972572692.db2.gz RHFKJUXNPWUHBK-UHFFFAOYSA-N -1 0 317.352 -0.243 20 0 DBADRM CS(=O)(=O)C1(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000393663658 972623530 /nfs/dbraw/zinc/62/35/30/972623530.db2.gz WKYSJKWSPQKOEZ-UHFFFAOYSA-N -1 0 322.364 -0.432 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)C(=O)[O-] ZINC000393679211 972626843 /nfs/dbraw/zinc/62/68/43/972626843.db2.gz ZXIKBHHVNWXUMQ-NXEZZACHSA-N -1 0 314.338 -0.377 20 0 DBADRM C[S@](=O)C1(CNC(=O)Cn2cc(C(=O)[O-])nn2)CCC1 ZINC000393772091 972638575 /nfs/dbraw/zinc/63/85/75/972638575.db2.gz ZMRGYKPCAMZXJX-FQEVSTJZSA-N -1 0 300.340 -0.606 20 0 DBADRM Cn1nncc1CNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000395068838 972774598 /nfs/dbraw/zinc/77/45/98/972774598.db2.gz UZPXYVINPDKHGZ-UHFFFAOYSA-N -1 0 303.325 -0.552 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cnc3n(c2=O)CCS3)C1 ZINC000395335609 972791110 /nfs/dbraw/zinc/79/11/10/972791110.db2.gz WBKYCQZHZQDQQG-GFCCVEGCSA-N -1 0 311.319 -0.989 20 0 DBADRM C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000395410450 972796653 /nfs/dbraw/zinc/79/66/53/972796653.db2.gz HVEQOQZBPJIPDL-BMIGLBTASA-N -1 0 306.318 -0.147 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C[C@H]1O ZINC000395761287 972828542 /nfs/dbraw/zinc/82/85/42/972828542.db2.gz LVHMLNBYIUJZMS-VXGBXAGGSA-N -1 0 315.347 -0.094 20 0 DBADRM CCN(CC)C(=O)CN1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001596247755 1017122934 /nfs/dbraw/zinc/12/29/34/1017122934.db2.gz VQXFDIPVPOAAKB-VXGBXAGGSA-N -1 0 311.382 -0.282 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCNC(=O)CC2)cc1C(=O)[O-] ZINC000396667060 972932932 /nfs/dbraw/zinc/93/29/32/972932932.db2.gz QFYUTDUSIMSJRL-QMMMGPOBSA-N -1 0 315.351 -0.330 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@H](O)[C@H](CO)C2)o1 ZINC000396871965 972947649 /nfs/dbraw/zinc/94/76/49/972947649.db2.gz GNUMXVYJDJGLIG-YUMQZZPRSA-N -1 0 305.308 -0.658 20 0 DBADRM CNC(=O)NCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000397416965 972999611 /nfs/dbraw/zinc/99/96/11/972999611.db2.gz DYGQSGHMXYTCIV-UHFFFAOYSA-N -1 0 319.314 -0.269 20 0 DBADRM Cn1nnc(CNC(=O)NCCc2cccc(C(=O)[O-])c2)n1 ZINC000398191731 973081234 /nfs/dbraw/zinc/08/12/34/973081234.db2.gz XIYSGXAPDLIFSH-UHFFFAOYSA-N -1 0 304.310 -0.050 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000398220849 973085459 /nfs/dbraw/zinc/08/54/59/973085459.db2.gz CGTFTYHAHKFGDF-SECBINFHSA-N -1 0 318.307 -0.150 20 0 DBADRM N#Cc1cc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])ccc1F ZINC000398220545 973085760 /nfs/dbraw/zinc/08/57/60/973085760.db2.gz CTZXHTJSMDINNI-QMMMGPOBSA-N -1 0 302.283 -0.189 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000398235543 973088194 /nfs/dbraw/zinc/08/81/94/973088194.db2.gz LJRCZVRDVLLWMA-JTQLQIEISA-N -1 0 318.307 -0.150 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)CC(=O)[O-])o1 ZINC000398256223 973094168 /nfs/dbraw/zinc/09/41/68/973094168.db2.gz AINPRFVWEVTIHG-ZETCQYMHSA-N -1 0 320.323 -0.905 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000398269239 973099975 /nfs/dbraw/zinc/09/99/75/973099975.db2.gz GGFQGBWEUJNZSN-RNFRBKRXSA-N -1 0 312.244 -0.651 20 0 DBADRM C[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])c1csnn1 ZINC000398269230 973100020 /nfs/dbraw/zinc/10/00/20/973100020.db2.gz GFLUSCZPOCMROG-SCSAIBSYSA-N -1 0 303.325 -0.001 20 0 DBADRM Cc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@@H](O)CC(=O)[O-] ZINC000398276898 973101360 /nfs/dbraw/zinc/10/13/60/973101360.db2.gz JMABLBAOOSLNPK-VIFPVBQESA-N -1 0 315.347 -0.036 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)NC[C@@H](O)CC(=O)[O-])s1 ZINC000398281749 973102257 /nfs/dbraw/zinc/10/22/57/973102257.db2.gz WFKBNMACEVKBMV-QMMMGPOBSA-N -1 0 300.336 -0.262 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)NC[C@H]1CNC(=O)C1 ZINC000398415230 973138767 /nfs/dbraw/zinc/13/87/67/973138767.db2.gz SFNLVGMNPSOVPA-ZCFIWIBFSA-N -1 0 304.349 -0.139 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@@H]2CNC(=O)C2)cc1C(=O)[O-] ZINC000398424628 973140026 /nfs/dbraw/zinc/14/00/26/973140026.db2.gz WWQMXQLKBBDZEZ-ZETCQYMHSA-N -1 0 301.324 -0.862 20 0 DBADRM CCN(CC)C(=O)CN1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001596246156 1017123623 /nfs/dbraw/zinc/12/36/23/1017123623.db2.gz ZJFQMNLJDBTSLH-VHSXEESVSA-N -1 0 311.338 -0.018 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)c2cc(C(=O)[O-])no2)C1 ZINC000400248990 973262475 /nfs/dbraw/zinc/26/24/75/973262475.db2.gz AYYBWJNUZRZPBV-ZCFIWIBFSA-N -1 0 303.296 -0.864 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CCCC(=O)[O-])C[C@@H](C)S1(=O)=O ZINC000400907784 973329872 /nfs/dbraw/zinc/32/98/72/973329872.db2.gz XGPBQDUFGYIALQ-RKDXNWHRSA-N -1 0 313.397 -0.312 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@@H]1CCOC1 ZINC000401390255 973361108 /nfs/dbraw/zinc/36/11/08/973361108.db2.gz OJBXOPOTJFBMQB-VHSXEESVSA-N -1 0 305.352 -0.487 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)Cc1nnc(N)s1 ZINC001571079364 1025814155 /nfs/dbraw/zinc/81/41/55/1025814155.db2.gz IRDSVGKKERULNT-ZETCQYMHSA-N -1 0 302.356 -0.001 20 0 DBADRM CC(C)S(=O)(=O)CCNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001571096553 1025828053 /nfs/dbraw/zinc/82/80/53/1025828053.db2.gz NITWKIPXWJGUAM-OPRDCNLKSA-N -1 0 307.368 -0.196 20 0 DBADRM CO[C@@]1(CO)CCCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000401710960 973380179 /nfs/dbraw/zinc/38/01/79/973380179.db2.gz HZCYSWJDVYXBKN-NSHDSACASA-N -1 0 320.323 -0.465 20 0 DBADRM CS(=O)(=O)c1ccc(N2C[C@H](O)C[C@H](C(=O)[O-])C2)nc1 ZINC000401774440 973383810 /nfs/dbraw/zinc/38/38/10/973383810.db2.gz BXTZKNOISUNBSI-DTWKUNHWSA-N -1 0 300.336 -0.243 20 0 DBADRM CO[C@]1(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CCOC1 ZINC000401818620 973416728 /nfs/dbraw/zinc/41/67/28/973416728.db2.gz JDKQIGBDLGKFKZ-NRUUGDAUSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)CCNC(=O)c2ccco2)C1 ZINC000401818602 973416900 /nfs/dbraw/zinc/41/69/00/973416900.db2.gz ISJGKRFLXKHNLV-NXEZZACHSA-N -1 0 310.306 -0.307 20 0 DBADRM CO[C@]1(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CCOC1 ZINC000401818617 973417201 /nfs/dbraw/zinc/41/72/01/973417201.db2.gz JDKQIGBDLGKFKZ-BREBYQMCSA-N -1 0 302.327 -0.731 20 0 DBADRM CC(C)S(=O)(=O)CCNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401844249 973443282 /nfs/dbraw/zinc/44/32/82/973443282.db2.gz WBFLFMDTPVUOCY-NXEZZACHSA-N -1 0 322.383 -0.713 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000401844236 973443588 /nfs/dbraw/zinc/44/35/88/973443588.db2.gz VZSSYGIDQIJDAP-UTLUCORTSA-N -1 0 320.367 -0.959 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1 ZINC000401845629 973444834 /nfs/dbraw/zinc/44/48/34/973444834.db2.gz ARCLQIQXCBHAJC-NWDGAFQWSA-N -1 0 321.333 -0.238 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(CC(=O)NC(=O)NC2CCCC2)C1 ZINC000401865818 973465217 /nfs/dbraw/zinc/46/52/17/973465217.db2.gz FWUBPVLVCSDKEK-GXSJLCMTSA-N -1 0 313.354 -0.478 20 0 DBADRM CCN(CCC(=O)NC)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001596299887 1017126064 /nfs/dbraw/zinc/12/60/64/1017126064.db2.gz HPIIENGVJMCAJZ-NXEZZACHSA-N -1 0 313.354 -0.707 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@](C)(O)C2CCC2)CCO1 ZINC001604541157 973514632 /nfs/dbraw/zinc/51/46/32/973514632.db2.gz KAERBKVGBFKXCQ-KBPBESRZSA-N -1 0 301.339 -0.134 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2nncs2)C1 ZINC001604541347 973519695 /nfs/dbraw/zinc/51/96/95/973519695.db2.gz DFKRWFRCLRRPJK-LLVKDONJSA-N -1 0 300.340 -0.100 20 0 DBADRM CC(C)CNC(=O)NC(=O)CN1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401908500 973519863 /nfs/dbraw/zinc/51/98/63/973519863.db2.gz RUTNURUUWSPLPB-UWVGGRQHSA-N -1 0 301.343 -0.764 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C(=O)c2cccn2C)CCO1 ZINC001604541475 973522368 /nfs/dbraw/zinc/52/23/68/973522368.db2.gz QJCHMUFBUNBARL-CQSZACIVSA-N -1 0 310.306 -0.464 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC000401911140 973524256 /nfs/dbraw/zinc/52/42/56/973524256.db2.gz LDFLAKDNBOMWFD-WHOHXGKFSA-N -1 0 320.411 -0.024 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC3(C2)CCCOC3)C1=O ZINC001606246652 973527304 /nfs/dbraw/zinc/52/73/04/973527304.db2.gz BFFUHQLFUZSSAZ-LLVKDONJSA-N -1 0 310.350 -0.051 20 0 DBADRM CCn1cc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)nc1C ZINC000401926150 973538930 /nfs/dbraw/zinc/53/89/30/973538930.db2.gz RIBXQGKOVIOUTM-UWVGGRQHSA-N -1 0 317.367 -0.332 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cn1C ZINC000401972568 973578745 /nfs/dbraw/zinc/57/87/45/973578745.db2.gz OKGWYWDBVJRIAC-BDAKNGLRSA-N -1 0 303.340 -0.815 20 0 DBADRM Cc1ncc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)s1 ZINC000401973224 973580609 /nfs/dbraw/zinc/58/06/09/973580609.db2.gz PPKJSKTURVTJEN-JGVFFNPUSA-N -1 0 306.365 -0.092 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401975955 973584841 /nfs/dbraw/zinc/58/48/41/973584841.db2.gz ULICKGFTHSOXHN-DTWKUNHWSA-N -1 0 303.340 -0.517 20 0 DBADRM CC(C)(C)NS(=O)(=O)C1(CNC(=O)CNC(=O)[O-])CC1 ZINC001573461527 1026578166 /nfs/dbraw/zinc/57/81/66/1026578166.db2.gz YTJNHNCSAQTSRT-UHFFFAOYSA-N -1 0 307.372 -0.379 20 0 DBADRM CC(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)CC1 ZINC000402584216 973628375 /nfs/dbraw/zinc/62/83/75/973628375.db2.gz WDNAWWLZVDEXJS-LBPRGKRZSA-N -1 0 308.338 -0.080 20 0 DBADRM Cn1nccc1[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000402600870 973629939 /nfs/dbraw/zinc/62/99/39/973629939.db2.gz NNCGOGHKZQZHJP-KCJUWKMLSA-N -1 0 315.351 -0.513 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N1CCO[C@H](CC(N)=O)C1 ZINC001573725194 1026625596 /nfs/dbraw/zinc/62/55/96/1026625596.db2.gz XUBCIQZQXOPEJP-BDAKNGLRSA-N -1 0 308.356 -0.854 20 0 DBADRM CCCCCC(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001526846137 1014144340 /nfs/dbraw/zinc/14/43/40/1014144340.db2.gz YPPKXBZAKSIQLA-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@]12C[C@H]1CCC2 ZINC001526820360 1014144957 /nfs/dbraw/zinc/14/49/57/1014144957.db2.gz DDKIDUOWJKYADQ-WFEFGEHDSA-N -1 0 321.337 -0.293 20 0 DBADRM O=C([O-])Cc1occc1C(=O)NCCN1CCCS1(=O)=O ZINC000405828293 973907321 /nfs/dbraw/zinc/90/73/21/973907321.db2.gz LJJQLRDNBQPFSM-UHFFFAOYSA-N -1 0 316.335 -0.328 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCN2CCCS2(=O)=O)no1 ZINC000405825818 973907392 /nfs/dbraw/zinc/90/73/92/973907392.db2.gz KIPMPESIUQJCMK-UHFFFAOYSA-N -1 0 303.296 -0.862 20 0 DBADRM C[C@@H]1CN(C(=O)NCCN2CCCS2(=O)=O)C[C@H]1C(=O)[O-] ZINC000405861489 973908111 /nfs/dbraw/zinc/90/81/11/973908111.db2.gz DMATZZRAJMZKGM-NXEZZACHSA-N -1 0 319.383 -0.616 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCN2CCCS2(=O)=O)CC1 ZINC000405848362 973908504 /nfs/dbraw/zinc/90/85/04/973908504.db2.gz VZXKUOMMIJXVKK-UHFFFAOYSA-N -1 0 305.356 -0.814 20 0 DBADRM O=C(CC1CC1)NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001527225382 1014204742 /nfs/dbraw/zinc/20/47/42/1014204742.db2.gz TXMGNISRCHAMRC-VIFPVBQESA-N -1 0 321.337 -0.339 20 0 DBADRM CC(C)OC[C@@H](CO)N(C)CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001591718926 975632350 /nfs/dbraw/zinc/63/23/50/975632350.db2.gz WSTHHIUWHLSCGJ-YPMHNXCESA-N -1 0 304.387 -0.071 20 0 DBADRM CC(C)OCCCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001591720193 975648847 /nfs/dbraw/zinc/64/88/47/975648847.db2.gz XXGNUMBSEFCCBC-JTQLQIEISA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)OCCCNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001591722926 975669165 /nfs/dbraw/zinc/66/91/65/975669165.db2.gz XQNCYMXOABKJKV-NSHDSACASA-N -1 0 316.354 -0.380 20 0 DBADRM CC(C)CC(=O)N[C@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001527687639 1014280251 /nfs/dbraw/zinc/28/02/51/1014280251.db2.gz BNCXHRBXFWXKAS-SECBINFHSA-N -1 0 313.358 -0.254 20 0 DBADRM C[C@H](CCNC(=O)[C@H]1CC12CC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001527806214 1014296734 /nfs/dbraw/zinc/29/67/34/1014296734.db2.gz WJDZQEDHDMKLHS-RKDXNWHRSA-N -1 0 323.353 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@@H]2CCC(=O)NC2)c1[O-] ZINC001528040629 1014342825 /nfs/dbraw/zinc/34/28/25/1014342825.db2.gz ABKLDCASSGSVNG-SECBINFHSA-N -1 0 323.353 -0.862 20 0 DBADRM CCn1cc(C(=O)N(C)CCNC(=O)c2[nH]nc(C)c2[O-])nn1 ZINC001528042986 1014343871 /nfs/dbraw/zinc/34/38/71/1014343871.db2.gz XJWMRXKYOJRWOK-UHFFFAOYSA-N -1 0 321.341 -0.463 20 0 DBADRM Cc1nnc(CC(=O)NCCN(C)C(=O)c2n[nH]c(C)c2[O-])o1 ZINC001528094308 1014354827 /nfs/dbraw/zinc/35/48/27/1014354827.db2.gz NCCMEEBJFCOZOV-UHFFFAOYSA-N -1 0 322.325 -0.454 20 0 DBADRM Cn1nc(C(=O)N[N-]C(=O)c2n[nH]c3c2CCCC3)ccc1=O ZINC000013295637 977395341 /nfs/dbraw/zinc/39/53/41/977395341.db2.gz TWUADBFGCDENBI-UHFFFAOYSA-N -1 0 316.321 -0.543 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013198028 977395390 /nfs/dbraw/zinc/39/53/90/977395390.db2.gz DEVGVCGHQFZODF-UHFFFAOYSA-N -1 0 302.308 -0.543 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@](C)(O)C1CC1 ZINC000909204879 977433644 /nfs/dbraw/zinc/43/36/44/977433644.db2.gz YSWRSWFPAFKYTP-OAHLLOKOSA-N -1 0 312.366 -0.071 20 0 DBADRM Cc1ccnn1CC(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000909201449 977433663 /nfs/dbraw/zinc/43/36/63/977433663.db2.gz KBNBAEKMEKPFQW-UHFFFAOYSA-N -1 0 322.365 -0.027 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2OCC[C@@H]2N1S(=O)(=O)[C@H]1CCCOC1 ZINC000926594976 977446305 /nfs/dbraw/zinc/44/63/05/977446305.db2.gz ANEFQBRPLBUHBK-MMWGEVLESA-N -1 0 305.352 -0.188 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCOC[C@H]1CC1CC1 ZINC000927948573 977447363 /nfs/dbraw/zinc/44/73/63/977447363.db2.gz REQSIIJILVTYFU-GRYCIOLGSA-N -1 0 310.350 -0.007 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cnc(C)n3C)C2)c1[O-] ZINC000990856629 977457087 /nfs/dbraw/zinc/45/70/87/977457087.db2.gz YAZCHDJFCHXFED-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM Cn1cnc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001052359070 977712841 /nfs/dbraw/zinc/71/28/41/977712841.db2.gz UVHGPGLXEXOADL-SECBINFHSA-N -1 0 320.357 -0.577 20 0 DBADRM O=C(Cn1nccn1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052418304 977730270 /nfs/dbraw/zinc/73/02/70/977730270.db2.gz KHGXQXGBXBMYQR-JTQLQIEISA-N -1 0 320.357 -0.727 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1=CCCC1 ZINC001528478970 1014421939 /nfs/dbraw/zinc/42/19/39/1014421939.db2.gz RHJVFKCFNKWFGY-UHFFFAOYSA-N -1 0 309.326 -0.626 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCNC1=O ZINC001052622633 977779505 /nfs/dbraw/zinc/77/95/05/977779505.db2.gz VZCWUASAYHNRTH-VHSXEESVSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(Cc1c[nH]cn1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052749172 977809410 /nfs/dbraw/zinc/80/94/10/977809410.db2.gz RJJLNYCIGJFHQR-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(Cn1ccnc1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052972401 977845812 /nfs/dbraw/zinc/84/58/12/977845812.db2.gz SWQSWEUWXQDETO-NSHDSACASA-N -1 0 319.369 -0.122 20 0 DBADRM CC(C)CC(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053135573 977859651 /nfs/dbraw/zinc/85/96/51/977859651.db2.gz NVQPNJOXIHZEBT-UHFFFAOYSA-N -1 0 309.370 -0.030 20 0 DBADRM CSCC(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053143734 977860732 /nfs/dbraw/zinc/86/07/32/977860732.db2.gz QWARNFNXERYTRS-UHFFFAOYSA-N -1 0 313.383 -0.714 20 0 DBADRM O=C(c1cc[nH]c1)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053268401 977898106 /nfs/dbraw/zinc/89/81/06/977898106.db2.gz JLZULTWZSIBYPX-UHFFFAOYSA-N -1 0 318.337 -0.435 20 0 DBADRM CCCCN1CC2(C1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)CCO2 ZINC001053326424 977928618 /nfs/dbraw/zinc/92/86/18/977928618.db2.gz FKJUGMPTFCWKOG-UHFFFAOYSA-N -1 0 323.353 -0.390 20 0 DBADRM CC(C)N1CC2(C1)CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)O2 ZINC001053627309 978012861 /nfs/dbraw/zinc/01/28/61/978012861.db2.gz UKXPCRLCJKCOEN-SECBINFHSA-N -1 0 323.353 -0.346 20 0 DBADRM CCN1CC2(C1)CC[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)O2 ZINC001053641431 978016531 /nfs/dbraw/zinc/01/65/31/978016531.db2.gz NYJIUJSUZPHKQH-SNVBAGLBSA-N -1 0 322.365 -0.531 20 0 DBADRM CC(C)(F)C(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053722392 978040210 /nfs/dbraw/zinc/04/02/10/978040210.db2.gz QFEMWCJFNBHFSL-QMMMGPOBSA-N -1 0 313.333 -0.282 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1ccon1 ZINC001053746842 978051349 /nfs/dbraw/zinc/05/13/49/978051349.db2.gz NLTPTPDDNBJLDN-QMMMGPOBSA-N -1 0 320.309 -0.728 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2COC3(CN(C[C@@H](C)O)C3)C2)c1[O-] ZINC001053775073 978065625 /nfs/dbraw/zinc/06/56/25/978065625.db2.gz QEEGFOLCIWXIFY-PSASIEDQSA-N -1 0 310.354 -0.622 20 0 DBADRM CCCN1CC2(C1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053859081 978119214 /nfs/dbraw/zinc/11/92/14/978119214.db2.gz ZETQWIQESWNMTK-MRVPVSSYSA-N -1 0 309.326 -0.734 20 0 DBADRM COCCN(CCNC(=O)c1c[n-]n2c1nccc2=O)C(C)=O ZINC001488536109 1014459355 /nfs/dbraw/zinc/45/93/55/1014459355.db2.gz KFHDSHKROJHAOK-UHFFFAOYSA-N -1 0 321.337 -0.753 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001596384250 1017134415 /nfs/dbraw/zinc/13/44/15/1017134415.db2.gz OSHUJUFOWYXKLL-UHFFFAOYSA-N -1 0 320.327 -0.895 20 0 DBADRM CCN(c1ccnc(C(=O)[O-])n1)[C@H](C)CNC(=O)CNC(C)=O ZINC001596388264 1017134462 /nfs/dbraw/zinc/13/44/62/1017134462.db2.gz OLDQMXHHKVONDQ-SECBINFHSA-N -1 0 323.353 -0.358 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)c1cnnn1C ZINC001528811062 1014478199 /nfs/dbraw/zinc/47/81/99/1014478199.db2.gz UZUULOFPGKYXGL-UHFFFAOYSA-N -1 0 321.341 -0.556 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)CCn1ccnc1 ZINC001488645955 1014493004 /nfs/dbraw/zinc/49/30/04/1014493004.db2.gz WTZSHYOYVISOFL-LLVKDONJSA-N -1 0 319.369 -0.170 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)Cc1cnoc1 ZINC001488652604 1014495057 /nfs/dbraw/zinc/49/50/57/1014495057.db2.gz RZPHLIQPQJGMJA-JTQLQIEISA-N -1 0 306.326 -0.226 20 0 DBADRM Cc1nc(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])no1 ZINC001210601476 978522262 /nfs/dbraw/zinc/52/22/62/978522262.db2.gz FRKYXYURRLQJEY-JTQLQIEISA-N -1 0 321.355 -0.517 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCCF ZINC001213280432 978668662 /nfs/dbraw/zinc/66/86/62/978668662.db2.gz MKHQNQCHVXJMLP-RKDXNWHRSA-N -1 0 301.322 -0.425 20 0 DBADRM COC(=O)[C@H](CCO)Oc1[n-]c(=O)nnc1Br ZINC001218217764 978822549 /nfs/dbraw/zinc/82/25/49/978822549.db2.gz FVTQFTGQKARGAM-BYPYZUCNSA-N -1 0 308.088 -0.358 20 0 DBADRM CCN1C[C@H](C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])CC1=O ZINC001596394344 1017136486 /nfs/dbraw/zinc/13/64/86/1017136486.db2.gz HOZIXMHTOOUYOP-QMTHXVAHSA-N -1 0 308.338 -0.289 20 0 DBADRM CCCN(CCNC(=O)C1CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001529442225 1014550476 /nfs/dbraw/zinc/55/04/76/1014550476.db2.gz JSIKVERZIJKZBS-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221248717 979390130 /nfs/dbraw/zinc/39/01/30/979390130.db2.gz IMGMBRMKBDHPKV-FBIMIBRVSA-N -1 0 322.369 -0.932 20 0 DBADRM CCO[C@H](C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221305641 979398157 /nfs/dbraw/zinc/39/81/57/979398157.db2.gz SRUVWDNIEKUSLO-GMTAPVOTSA-N -1 0 309.370 -0.032 20 0 DBADRM CO[C@H](C)CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221426081 979421030 /nfs/dbraw/zinc/42/10/30/979421030.db2.gz FAVHRYRSXRVFBS-GMTAPVOTSA-N -1 0 309.370 -0.032 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCN1C(=O)c2ccccc2C1=O ZINC001221472452 979431807 /nfs/dbraw/zinc/43/18/07/979431807.db2.gz MMACTDQGTHVYPW-UHFFFAOYSA-N -1 0 320.305 -0.741 20 0 DBADRM Cc1nc2ccccn2c(=O)c1CCOC(=O)[C@@H](O)CC(=O)[O-] ZINC001222098386 979491266 /nfs/dbraw/zinc/49/12/66/979491266.db2.gz UKJJWTXOOAYHKY-NSHDSACASA-N -1 0 320.301 -0.076 20 0 DBADRM CCC(=O)NCC(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001222646053 979524906 /nfs/dbraw/zinc/52/49/06/979524906.db2.gz FRAUIFYZHANPCU-UHFFFAOYSA-N -1 0 324.385 -0.635 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OCc1cccnn1 ZINC001222997063 979534290 /nfs/dbraw/zinc/53/42/90/979534290.db2.gz QIIRQGJWTYVLNN-LBPRGKRZSA-N -1 0 317.367 -0.418 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OCc1ccncn1 ZINC001223205975 979543909 /nfs/dbraw/zinc/54/39/09/979543909.db2.gz CPHJZDFFKGTWLX-LBPRGKRZSA-N -1 0 317.367 -0.418 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)OCc1nc(-c2cc[n+]([O-])cc2)no1 ZINC001223395612 979548614 /nfs/dbraw/zinc/54/86/14/979548614.db2.gz GERAEOQHLPOCBZ-QMMMGPOBSA-N -1 0 309.234 -0.751 20 0 DBADRM CS(=O)(=O)c1cccc(COC(=O)[C@H](O)CC(=O)[O-])c1 ZINC001223443268 979550180 /nfs/dbraw/zinc/55/01/80/979550180.db2.gz VHOWDWWUUMYPCI-SNVBAGLBSA-N -1 0 302.304 -0.031 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001224041238 979560737 /nfs/dbraw/zinc/56/07/37/979560737.db2.gz CCVHBVYVPLPFNE-SECBINFHSA-N -1 0 324.385 -0.650 20 0 DBADRM CC(=O)OCCO[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001224577299 979577418 /nfs/dbraw/zinc/57/74/18/979577418.db2.gz HUWNRYPNJCFCQD-LLVKDONJSA-N -1 0 311.356 -0.845 20 0 DBADRM Nc1ncc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])cn1 ZINC001225715333 979604286 /nfs/dbraw/zinc/60/42/86/979604286.db2.gz RBVISHZMRDEWPW-JTQLQIEISA-N -1 0 318.355 -0.974 20 0 DBADRM C[C@@H](c1ccccn1)N1CC[C@@H](Oc2c([O-])c(=O)c(=O)c2=O)C1 ZINC001225830652 979607491 /nfs/dbraw/zinc/60/74/91/979607491.db2.gz MJPKXNKAWOGJFK-VHSXEESVSA-N -1 0 316.313 -0.042 20 0 DBADRM COC(=O)[C@@H](Cc1ccc(F)cc1)Oc1c([O-])c(=O)c(=O)c1=O ZINC001225832491 979608638 /nfs/dbraw/zinc/60/86/38/979608638.db2.gz FVFGXKCEZADXHA-SECBINFHSA-N -1 0 322.244 -0.349 20 0 DBADRM O=c1cnnc(OC[C@@H]2COCCOCCOCCO2)[n-]1 ZINC001226167371 979621149 /nfs/dbraw/zinc/62/11/49/979621149.db2.gz BLSBLALATMXWAZ-JTQLQIEISA-N -1 0 301.299 -0.595 20 0 DBADRM O=c1ccnc(O[C@H](C[n+]2ccccc2)CS(=O)(=O)[O-])[n-]1 ZINC001226327185 979631166 /nfs/dbraw/zinc/63/11/66/979631166.db2.gz SAEKBCJFWVKTKZ-SNVBAGLBSA-O -1 0 312.327 -0.195 20 0 DBADRM CCOC(=O)c1cc(OC(=O)[C@H](O)CCC(=O)[O-])n(C)n1 ZINC001226563881 979635651 /nfs/dbraw/zinc/63/56/51/979635651.db2.gz XFGFIVGVWPLDQB-MRVPVSSYSA-N -1 0 300.267 -0.272 20 0 DBADRM Nc1ccc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])cn1 ZINC001226777031 979647847 /nfs/dbraw/zinc/64/78/47/979647847.db2.gz HBYAXMYQELHWSV-LLVKDONJSA-N -1 0 317.367 -0.369 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1cccc[n+]1[O-] ZINC001226797909 979648685 /nfs/dbraw/zinc/64/86/85/979648685.db2.gz ZOFBKIVWNZLMDT-NSHDSACASA-N -1 0 318.351 -0.713 20 0 DBADRM O=c1[nH]cncc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001227048613 979656860 /nfs/dbraw/zinc/65/68/60/979656860.db2.gz HNEACRIDRQLINR-VIFPVBQESA-N -1 0 319.339 -0.850 20 0 DBADRM O=c1ccc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n[nH]1 ZINC001227094762 979661288 /nfs/dbraw/zinc/66/12/88/979661288.db2.gz KDJUPJSQLDYVLM-VIFPVBQESA-N -1 0 319.339 -0.850 20 0 DBADRM Cn1ccnc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001228309566 979670585 /nfs/dbraw/zinc/67/05/85/979670585.db2.gz DCDZRIKNFLLRQZ-JTQLQIEISA-N -1 0 305.356 -0.613 20 0 DBADRM CCOC(=O)C[C@H](Oc1nnc(C(=O)OC)[n-]1)C(=O)OCC ZINC001228313042 979671350 /nfs/dbraw/zinc/67/13/50/979671350.db2.gz YKVSDVLWXZHKNG-ZETCQYMHSA-N -1 0 315.282 -0.145 20 0 DBADRM CC[C@H](CNC(=O)c1cnnn1C)Nc1ccnc(C(=O)[O-])n1 ZINC001595163018 979691990 /nfs/dbraw/zinc/69/19/90/979691990.db2.gz CZJCGGAKSXBAMW-MRVPVSSYSA-N -1 0 319.325 -0.654 20 0 DBADRM CC[C@@H](CNC(=O)c1nc(N)nc(N2CCOCC2)n1)C(=O)[O-] ZINC001595163292 979694695 /nfs/dbraw/zinc/69/46/95/979694695.db2.gz JGJRDCQGMIZAKB-QMMMGPOBSA-N -1 0 324.341 -0.869 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@H]1CCCN(C(C)=O)C1 ZINC001326506593 979739151 /nfs/dbraw/zinc/73/91/51/979739151.db2.gz WJMKNEPOGBAHGH-LLVKDONJSA-N -1 0 300.359 -0.388 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC001326606010 979744690 /nfs/dbraw/zinc/74/46/90/979744690.db2.gz GETBUEWNAXPICB-SECBINFHSA-N -1 0 323.349 -0.811 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCCOC1 ZINC001326675321 979752696 /nfs/dbraw/zinc/75/26/96/979752696.db2.gz KSQCZRRRZMWPOB-VHSXEESVSA-N -1 0 301.343 -0.898 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCSCC(C)C ZINC001326678346 979755555 /nfs/dbraw/zinc/75/55/55/979755555.db2.gz YQRDHWDQTXTSKW-UHFFFAOYSA-N -1 0 305.400 -0.324 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@@H](OC)C1(C)C ZINC001326713541 979758421 /nfs/dbraw/zinc/75/84/21/979758421.db2.gz XKMKDLIMKGEGOZ-DTWKUNHWSA-N -1 0 301.343 -0.900 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCOC(C)(C)[C@H]1C ZINC001326717231 979760788 /nfs/dbraw/zinc/76/07/88/979760788.db2.gz VCZBCRAYPOIHGE-SECBINFHSA-N -1 0 301.343 -0.804 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)C1CCC(OC)CC1 ZINC001326750811 979762145 /nfs/dbraw/zinc/76/21/45/979762145.db2.gz QLTBBTVNDGOFEQ-UHFFFAOYSA-N -1 0 315.370 -0.414 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)OC[C@@H]1CC ZINC001326746787 979762175 /nfs/dbraw/zinc/76/21/75/979762175.db2.gz PREGGGSPQQXMKY-ZJUUUORDSA-N -1 0 301.343 -0.804 20 0 DBADRM CCCO[N-]C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC001326834503 979769787 /nfs/dbraw/zinc/76/97/87/979769787.db2.gz OAJZIJJJMZEWJW-UHFFFAOYSA-N -1 0 322.321 -0.702 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1cccn(C)c1=O)C(=O)[O-] ZINC001326845621 979772787 /nfs/dbraw/zinc/77/27/87/979772787.db2.gz JKVGMQXDQLMBKQ-SECBINFHSA-N -1 0 309.322 -0.203 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)c1ncnn1C)C(=O)[O-] ZINC001326843946 979773231 /nfs/dbraw/zinc/77/32/31/979773231.db2.gz DAECOHSTBRRMMI-RKDXNWHRSA-N -1 0 311.342 -0.535 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC001326938061 979778693 /nfs/dbraw/zinc/77/86/93/979778693.db2.gz PQOGWEPJAQSABL-UHFFFAOYSA-N -1 0 323.305 -0.785 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001326936047 979779621 /nfs/dbraw/zinc/77/96/21/979779621.db2.gz OTQNEVWPIFQDGQ-OAHLLOKOSA-N -1 0 309.366 -0.312 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC001327038014 979788014 /nfs/dbraw/zinc/78/80/14/979788014.db2.gz KIYZOLCCKDIYEU-IUCAKERBSA-N -1 0 303.384 -0.477 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(Cc1cccnc1)C1CC1 ZINC001327038449 979788449 /nfs/dbraw/zinc/78/84/49/979788449.db2.gz NZOKPCAJIHMNII-UHFFFAOYSA-N -1 0 320.349 -0.244 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@@H](C)CCSC ZINC001327038029 979789140 /nfs/dbraw/zinc/78/91/40/979789140.db2.gz KNUBBOGLUBAEBJ-VIFPVBQESA-N -1 0 305.400 -0.230 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001330605730 979826782 /nfs/dbraw/zinc/82/67/82/979826782.db2.gz IAQADKDPYVTJCT-SNVBAGLBSA-N -1 0 306.384 -0.115 20 0 DBADRM COC1(CO)CCN(C(=O)C(=O)NCCCCC(=O)[O-])CC1 ZINC001330851088 979840200 /nfs/dbraw/zinc/84/02/00/979840200.db2.gz SVOJPTMWULZOHV-UHFFFAOYSA-N -1 0 316.354 -0.643 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](C)c1ccccn1 ZINC001331057002 979852894 /nfs/dbraw/zinc/85/28/94/979852894.db2.gz ZKMCAGQTXOEVTG-SNVBAGLBSA-N -1 0 308.338 -0.515 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCO[C@H](C2CCC2)C1 ZINC001331093426 979855107 /nfs/dbraw/zinc/85/51/07/979855107.db2.gz HQIOFAZAXUGKLH-SRVKXCTJSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C(NCCOC[C@@H]1CCCO1)c1c[n-]n2c1nccc2=O ZINC001331121897 979857506 /nfs/dbraw/zinc/85/75/06/979857506.db2.gz YPOIDGVXNRSUKL-JTQLQIEISA-N -1 0 306.322 -0.052 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccnc3c2CC(=O)N3)C1=O ZINC001331171725 979865105 /nfs/dbraw/zinc/86/51/05/979865105.db2.gz YFHYONZWQZFBPR-AWEZNQCLSA-N -1 0 317.305 -0.059 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(SC(F)F)nc1 ZINC001343379031 979942740 /nfs/dbraw/zinc/94/27/40/979942740.db2.gz ZQTFJRZONYNMLH-UHFFFAOYSA-N -1 0 320.277 -0.132 20 0 DBADRM Cn1cnc(CCCNC(=O)C(=O)[N-]OCCC(F)(F)F)n1 ZINC001345907917 980097117 /nfs/dbraw/zinc/09/71/17/980097117.db2.gz ALHGYSLNWSGQFL-UHFFFAOYSA-N -1 0 323.275 -0.136 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@@H]1CCCN(C(C)=O)C1 ZINC001346254747 980123098 /nfs/dbraw/zinc/12/30/98/980123098.db2.gz VOMVKALVWKYYQF-LBPRGKRZSA-N -1 0 315.370 -0.555 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1COc2ccccc2C1 ZINC001346351607 980134314 /nfs/dbraw/zinc/13/43/14/980134314.db2.gz HLGPSWRYSFVYQA-LLVKDONJSA-N -1 0 321.333 -0.710 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC001346373074 980136281 /nfs/dbraw/zinc/13/62/81/980136281.db2.gz KGGILEJDWUVBSX-MRVPVSSYSA-N -1 0 307.297 -0.278 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](COC)c1ccco1 ZINC001346370948 980136304 /nfs/dbraw/zinc/13/63/04/980136304.db2.gz QHNLCSULQOZBBA-VIFPVBQESA-N -1 0 313.310 -0.733 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC(C)(C)OC[C@@H]1CC ZINC001346414985 980141282 /nfs/dbraw/zinc/14/12/82/980141282.db2.gz LDMQHJTZOQBFKV-JTQLQIEISA-N -1 0 315.370 -0.414 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCc2c(F)cccc2C1 ZINC001346416638 980141297 /nfs/dbraw/zinc/14/12/97/980141297.db2.gz YEXSBQMVKFVJIY-UHFFFAOYSA-N -1 0 323.324 -0.106 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@](C)(OC)C1 ZINC001346414925 980141937 /nfs/dbraw/zinc/14/19/37/980141937.db2.gz KPGXSFKOAPDZIA-CYBMUJFWSA-N -1 0 301.343 -0.802 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCN1CCOCC1(C)C)C(=O)[O-] ZINC001346513536 980147502 /nfs/dbraw/zinc/14/75/02/980147502.db2.gz CSVVMFQZBBWCHD-SNVBAGLBSA-N -1 0 315.370 -0.950 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCN(CC(F)F)CC1)C(=O)[O-] ZINC001346513556 980147603 /nfs/dbraw/zinc/14/76/03/980147603.db2.gz DCSHDSOYTMSSRE-QMMMGPOBSA-N -1 0 307.297 -0.767 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N[C@H]2CCOC2)n1 ZINC001347045881 980190524 /nfs/dbraw/zinc/19/05/24/980190524.db2.gz HQWZRQQDAXPMSN-QMMMGPOBSA-N -1 0 310.310 -0.454 20 0 DBADRM CCn1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)n1 ZINC001347046081 980190710 /nfs/dbraw/zinc/19/07/10/980190710.db2.gz KWYDRSZBSBQDEE-UHFFFAOYSA-N -1 0 324.337 -0.161 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC001347171298 980202330 /nfs/dbraw/zinc/20/23/30/980202330.db2.gz RLBOXHHZUKVJJV-NSHDSACASA-N -1 0 307.368 -0.193 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC001347677272 980242960 /nfs/dbraw/zinc/24/29/60/980242960.db2.gz CJWGPJZNZFVUEN-UHFFFAOYSA-N -1 0 300.340 -0.438 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1cn2c(n1)COCC2 ZINC001348280263 980276071 /nfs/dbraw/zinc/27/60/71/980276071.db2.gz KSNPQONAGZAWOK-UHFFFAOYSA-N -1 0 317.367 -0.101 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C ZINC001488936916 1014643400 /nfs/dbraw/zinc/64/34/00/1014643400.db2.gz AHQYXISXYQRYSY-IWSPIJDZSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)NCCCn2cncn2)CC1 ZINC001348309751 980279777 /nfs/dbraw/zinc/27/97/77/980279777.db2.gz WDNWFDHFEAAKRF-UHFFFAOYSA-N -1 0 323.353 -0.456 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1 ZINC001348335656 980287924 /nfs/dbraw/zinc/28/79/24/980287924.db2.gz BUADJXOODZFFAG-UHFFFAOYSA-N -1 0 307.306 -0.026 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001595279591 980321024 /nfs/dbraw/zinc/32/10/24/980321024.db2.gz SOOPDIMZPHVGQM-DCAQKATOSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001595279577 980321225 /nfs/dbraw/zinc/32/12/25/980321225.db2.gz SKFIIHAFIREUPD-OUAUKWLOSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001595279752 980323008 /nfs/dbraw/zinc/32/30/08/980323008.db2.gz WQCDPDMMCXJNSH-SNVBAGLBSA-N -1 0 309.326 -0.382 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001595279751 980323196 /nfs/dbraw/zinc/32/31/96/980323196.db2.gz WQCDPDMMCXJNSH-JTQLQIEISA-N -1 0 309.326 -0.382 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001348755891 980359184 /nfs/dbraw/zinc/35/91/84/980359184.db2.gz YJBIJMRBOYHDKW-BSFRTMCYSA-N -1 0 305.334 -0.534 20 0 DBADRM CC[C@H](SC)C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001348789070 980363221 /nfs/dbraw/zinc/36/32/21/980363221.db2.gz RUWSBHQFVWZUCQ-ZETCQYMHSA-N -1 0 317.371 -0.937 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)C(=O)[N-]OC2CCCCC2)C1=O ZINC001349049031 980404699 /nfs/dbraw/zinc/40/46/99/980404699.db2.gz WDAKIGXKEVCGGH-JTQLQIEISA-N -1 0 311.338 -0.370 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NC1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001530338197 1014656740 /nfs/dbraw/zinc/65/67/40/1014656740.db2.gz JNRMPIIEIJYHDD-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)[N-]OCCOC)[C@@H]1SC ZINC001349281486 980449550 /nfs/dbraw/zinc/44/95/50/980449550.db2.gz RAYBVJMIVVXEIC-BBBLOLIVSA-N -1 0 306.384 -0.294 20 0 DBADRM CCN1CC[C@H](NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1=O ZINC001596410275 1017139574 /nfs/dbraw/zinc/13/95/74/1017139574.db2.gz WXMFCTOXTBWSCH-QWRGUYRKSA-N -1 0 313.354 -0.526 20 0 DBADRM COCCCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001349353974 980458396 /nfs/dbraw/zinc/45/83/96/980458396.db2.gz AHYDUZHVCYXAQR-UHFFFAOYSA-N -1 0 302.327 -0.863 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001349354255 980458633 /nfs/dbraw/zinc/45/86/33/980458633.db2.gz DRDBISRZZNGYMR-UTDXWOPCSA-N -1 0 304.368 -0.761 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001349431781 980469141 /nfs/dbraw/zinc/46/91/41/980469141.db2.gz JZABFUXPAIDGIT-RKDXNWHRSA-N -1 0 311.342 -0.642 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC001349644176 980494083 /nfs/dbraw/zinc/49/40/83/980494083.db2.gz JXLHMQUIKXUJEV-UHFFFAOYSA-N -1 0 315.351 -0.727 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)c2cc[n+]([O-])cc2)c1[O-] ZINC001349657961 980495516 /nfs/dbraw/zinc/49/55/16/980495516.db2.gz FXUWVGVSBJODTM-UHFFFAOYSA-N -1 0 319.321 -0.393 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)c1ncc(C)s1 ZINC001349727565 980500818 /nfs/dbraw/zinc/50/08/18/980500818.db2.gz UFGQJNVUYHNWBD-MRVPVSSYSA-N -1 0 314.367 -0.187 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccncc1CC ZINC001349728253 980501181 /nfs/dbraw/zinc/50/11/81/980501181.db2.gz DHPFJALKCVVVMW-UHFFFAOYSA-N -1 0 308.338 -0.556 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1C[C@H](C)O[C@H]1C ZINC001349736207 980501997 /nfs/dbraw/zinc/50/19/97/980501997.db2.gz PGJODHZZXJBFMM-GUBZILKMSA-N -1 0 301.343 -0.900 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001349753527 980504436 /nfs/dbraw/zinc/50/44/36/980504436.db2.gz LMCTUFVDBGGBSR-GHMZBOCLSA-N -1 0 313.354 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(Cc1ccccn1)C1CC1 ZINC001349752051 980505017 /nfs/dbraw/zinc/50/50/17/980505017.db2.gz ANHQLGXFHJHQRH-UHFFFAOYSA-N -1 0 320.349 -0.244 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC001349753040 980505180 /nfs/dbraw/zinc/50/51/80/980505180.db2.gz JVBCJKQQRRNDBB-WDEREUQCSA-N -1 0 314.386 -0.889 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](CC)OC[C@@H]1C ZINC001349756596 980506230 /nfs/dbraw/zinc/50/62/30/980506230.db2.gz XBLIILOUGUWUCO-VHSXEESVSA-N -1 0 301.343 -0.804 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001349755851 980506305 /nfs/dbraw/zinc/50/63/05/980506305.db2.gz VJBYSZBNOMUPFT-ONGXEEELSA-N -1 0 313.354 -0.804 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(O)c(F)c1 ZINC001349754136 980506380 /nfs/dbraw/zinc/50/63/80/980506380.db2.gz OXELGHKDRIOBNX-UHFFFAOYSA-N -1 0 313.285 -0.669 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC001349753530 980506495 /nfs/dbraw/zinc/50/64/95/980506495.db2.gz LMCTUFVDBGGBSR-WDEREUQCSA-N -1 0 313.354 -0.802 20 0 DBADRM CO[C@@H](C)C(=O)NCCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001349781251 980508565 /nfs/dbraw/zinc/50/85/65/980508565.db2.gz ZJZNAUDZJISUOK-VIFPVBQESA-N -1 0 321.337 -0.706 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1ncc(C)cc1C ZINC001349902673 980523014 /nfs/dbraw/zinc/52/30/14/980523014.db2.gz OPMRNQYFHJMVAU-UHFFFAOYSA-N -1 0 322.365 -0.459 20 0 DBADRM CCC(O)(CC)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001595325345 980531882 /nfs/dbraw/zinc/53/18/82/980531882.db2.gz URCWVIJQZGRQIG-JTQLQIEISA-N -1 0 300.355 -0.023 20 0 DBADRM CC[C@H](O)[C@H](C)C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001595325662 980533409 /nfs/dbraw/zinc/53/34/09/980533409.db2.gz AIHROPPKPYOFGY-UWVGGRQHSA-N -1 0 321.395 -0.068 20 0 DBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC001350423691 980571429 /nfs/dbraw/zinc/57/14/29/980571429.db2.gz PISHUCSHRTYLFR-GXFFZTMASA-N -1 0 323.393 -0.092 20 0 DBADRM COCCOCCS(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC001350427822 980571539 /nfs/dbraw/zinc/57/15/39/980571539.db2.gz BVZCWVOGTQMHJR-UHFFFAOYSA-N -1 0 311.356 -0.797 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)NCCSCCC(=O)[O-])nn1 ZINC001595331838 980575588 /nfs/dbraw/zinc/57/55/88/980575588.db2.gz LNQVKKSAFOEVQD-SECBINFHSA-N -1 0 316.383 -0.013 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@H](OC)C(=O)[O-])C[C@H]1C ZINC001350612904 980588392 /nfs/dbraw/zinc/58/83/92/980588392.db2.gz VFBZOXOKFCUJFL-KOLCDFICSA-N -1 0 302.327 -0.818 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)/C=C(/C)CN2CCOCC2)C1 ZINC001350778740 980603398 /nfs/dbraw/zinc/60/33/98/980603398.db2.gz PWHGCEUYIXPOQJ-LMRWQKIVSA-N -1 0 312.366 -0.033 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CCO ZINC001350879901 980610453 /nfs/dbraw/zinc/61/04/53/980610453.db2.gz ZKJJANXTOXISEZ-QWRGUYRKSA-N -1 0 315.370 -0.820 20 0 DBADRM Cn1ncc(C2CC2)c1CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001350911571 980612528 /nfs/dbraw/zinc/61/25/28/980612528.db2.gz KYHNXJCKCLABSP-SNVBAGLBSA-N -1 0 322.365 -0.002 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2C3CCC2(CO)CC3)CC1 ZINC001350967118 980617156 /nfs/dbraw/zinc/61/71/56/980617156.db2.gz WPAQAMRCDMXEQW-UHFFFAOYSA-N -1 0 310.350 -0.175 20 0 DBADRM O=C(Cn1cccn1)NCc1nc(CNCCF)cc(=O)[nH]1 ZINC001489070614 1014671188 /nfs/dbraw/zinc/67/11/88/1014671188.db2.gz DAQNGXXMQMCXIP-UHFFFAOYSA-N -1 0 308.317 -0.246 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)Cc1ccccc1F ZINC001351114222 980626588 /nfs/dbraw/zinc/62/65/88/980626588.db2.gz WVWCXMCZJVTCHK-VIFPVBQESA-N -1 0 311.313 -0.333 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]cn2)CC[C@H]1C(=O)[O-] ZINC001351686289 980682265 /nfs/dbraw/zinc/68/22/65/980682265.db2.gz WYVXBILPEOLRDS-MWLCHTKSSA-N -1 0 308.338 -0.063 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001352608962 980735121 /nfs/dbraw/zinc/73/51/21/980735121.db2.gz NTXHZKKOLLHQCL-BQBZGAKWSA-N -1 0 324.263 -0.493 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCO[C@@H](C(F)F)CC1 ZINC001352642894 980736094 /nfs/dbraw/zinc/73/60/94/980736094.db2.gz VHWRBXWFZNGCNM-MRVPVSSYSA-N -1 0 320.300 -0.399 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCO[C@H](C(F)F)CC1 ZINC001352642898 980736780 /nfs/dbraw/zinc/73/67/80/980736780.db2.gz VHWRBXWFZNGCNM-QMMMGPOBSA-N -1 0 320.300 -0.399 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCOCCOCC(=O)[O-])CCO1 ZINC001353139788 980781809 /nfs/dbraw/zinc/78/18/09/980781809.db2.gz VORGAKDKMPHXTO-LLVKDONJSA-N -1 0 304.343 -0.075 20 0 DBADRM C/C=C(/C)C(=O)N[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001353165704 980785921 /nfs/dbraw/zinc/78/59/21/980785921.db2.gz LUUAQEWKYIVPJG-WPKZPIIRSA-N -1 0 323.353 -0.334 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@H]1CCCC13CC3)C2 ZINC001353216724 980790649 /nfs/dbraw/zinc/79/06/49/980790649.db2.gz GQCFQYJXCJFQIP-OHUAYANFSA-N -1 0 322.361 -0.005 20 0 DBADRM CCO[C@H]1C[C@H](N(C)C(=O)C(=O)NCC(=O)[N-]OC)C1(C)C ZINC001354968337 980880886 /nfs/dbraw/zinc/88/08/86/980880886.db2.gz NPFCPKNWGJSLDU-UWVGGRQHSA-N -1 0 315.370 -0.558 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@H]2CCN(C)C2=O)c1[O-] ZINC001355833147 980912416 /nfs/dbraw/zinc/91/24/16/980912416.db2.gz SQAPMTJJTIKBAF-SECBINFHSA-N -1 0 323.353 -0.910 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCOCC(F)(F)C1 ZINC001355931858 980916646 /nfs/dbraw/zinc/91/66/46/980916646.db2.gz XLBBQIVSDMCAFC-UHFFFAOYSA-N -1 0 306.273 -0.787 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCCC2(CCOCC2)C1 ZINC001355898431 980917464 /nfs/dbraw/zinc/91/74/64/980917464.db2.gz RCPKOOZJWWDOIS-UHFFFAOYSA-N -1 0 310.358 -0.252 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)/C=C\C1CC1 ZINC001356910314 981011109 /nfs/dbraw/zinc/01/11/09/981011109.db2.gz WIXWYXQWCVVBBT-WWQCOOJYSA-N -1 0 323.353 -0.334 20 0 DBADRM CC/C(C)=C\C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001358139374 981115152 /nfs/dbraw/zinc/11/51/52/981115152.db2.gz LBEPDVVUAIJPEG-GRKOMRHMSA-N -1 0 309.326 -0.126 20 0 DBADRM CC/C=C(/C)C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001358298482 981122347 /nfs/dbraw/zinc/12/23/47/981122347.db2.gz WTSPIFGZLLTSDM-BZJXQOFCSA-N -1 0 311.342 -0.334 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@@H]2CCCNC2=O)c1[O-] ZINC001358498588 981129764 /nfs/dbraw/zinc/12/97/64/981129764.db2.gz WNQDZZCQDULNDK-IONNQARKSA-N -1 0 323.353 -0.816 20 0 DBADRM O=C(C=C1CCC1)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001358678999 981169045 /nfs/dbraw/zinc/16/90/45/981169045.db2.gz MURZWHCFJVMZLT-UHFFFAOYSA-N -1 0 319.321 -0.228 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccn2nccc2n1 ZINC001361418566 981229170 /nfs/dbraw/zinc/22/91/70/981229170.db2.gz JYWQUCIDTXJABI-UHFFFAOYSA-N -1 0 310.277 -0.247 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)C2(OC)CS(=O)(=O)C2)[n-]1 ZINC001361439613 981232910 /nfs/dbraw/zinc/23/29/10/981232910.db2.gz YQJVAOPIODHPBO-UHFFFAOYSA-N -1 0 317.323 -0.662 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC1(CF)CCOCC1 ZINC001361450576 981235443 /nfs/dbraw/zinc/23/54/43/981235443.db2.gz NJWKQRQNQJAKKM-UHFFFAOYSA-N -1 0 323.328 -0.046 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1=O ZINC001361552408 981256859 /nfs/dbraw/zinc/25/68/59/981256859.db2.gz XVBPIVGVFHIRCD-JTQLQIEISA-N -1 0 315.395 -0.322 20 0 DBADRM CO[C@H]1COCC[C@@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001361581781 981264313 /nfs/dbraw/zinc/26/43/13/981264313.db2.gz LXZCFTFSWNZUHQ-KOLCDFICSA-N -1 0 321.337 -0.761 20 0 DBADRM Cn1cc(C(=O)N2CCCc3c(=O)[nH]cnc32)c(=O)[nH]c1=O ZINC001361599362 981269208 /nfs/dbraw/zinc/26/92/08/981269208.db2.gz MMIYMZOIXGTGBW-UHFFFAOYSA-N -1 0 303.278 -0.426 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)Nc2cn(C)nc2C(N)=O)cc1=O ZINC001361616118 981274780 /nfs/dbraw/zinc/27/47/80/981274780.db2.gz JDNVCCWLQYMEQL-UHFFFAOYSA-N -1 0 320.353 -0.154 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1nc2n(n1)CCCC2 ZINC001361615990 981275185 /nfs/dbraw/zinc/27/51/85/981275185.db2.gz HHOLEVWCDOMFBN-UHFFFAOYSA-N -1 0 314.309 -0.362 20 0 DBADRM O=C(NCc1nnc2n1CCNC2=O)c1cccc(F)c1[O-] ZINC001361630859 981280512 /nfs/dbraw/zinc/28/05/12/981280512.db2.gz OIUPHTHWYCORQB-UHFFFAOYSA-N -1 0 305.269 -0.204 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCCS(N)(=O)=O)c1 ZINC001361656630 981289818 /nfs/dbraw/zinc/28/98/18/981289818.db2.gz ADEHUWFNQGCAAH-LJQANCHMSA-N -1 0 320.392 -0.793 20 0 DBADRM CO[C@]1(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCSC1 ZINC001361670788 981295174 /nfs/dbraw/zinc/29/51/74/981295174.db2.gz DJMZJNTVRQXPRY-ZDUSSCGKSA-N -1 0 323.378 -0.291 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC001361702569 981301735 /nfs/dbraw/zinc/30/17/35/981301735.db2.gz WRLNFIAVKQQEKQ-SNVBAGLBSA-N -1 0 311.342 -0.988 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001361707574 981303447 /nfs/dbraw/zinc/30/34/47/981303447.db2.gz OPMKJTHVKKLUKH-MRVPVSSYSA-N -1 0 309.326 -0.794 20 0 DBADRM C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccn(C)n1 ZINC001361725005 981307153 /nfs/dbraw/zinc/30/71/53/981307153.db2.gz HIZOBNMSNUBYAW-MRVPVSSYSA-N -1 0 301.310 -0.318 20 0 DBADRM C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccn(C)n1 ZINC001361725012 981307510 /nfs/dbraw/zinc/30/75/10/981307510.db2.gz HIZOBNMSNUBYAW-QMMMGPOBSA-N -1 0 301.310 -0.318 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC001361749872 981311813 /nfs/dbraw/zinc/31/18/13/981311813.db2.gz ACRYCSHRIKNASA-SNVBAGLBSA-N -1 0 324.410 -0.050 20 0 DBADRM CC(C)CNC(=O)[C@H]1CSCN1C(=O)CCc1nnn[n-]1 ZINC001361751386 981312403 /nfs/dbraw/zinc/31/24/03/981312403.db2.gz QPHZVFOADQTDJN-SECBINFHSA-N -1 0 312.399 -0.194 20 0 DBADRM COC(=O)[C@@H](CO)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001361756257 981313652 /nfs/dbraw/zinc/31/36/52/981313652.db2.gz AIIQZYFVDOHAJN-SECBINFHSA-N -1 0 307.262 -0.706 20 0 DBADRM C[C@@]1(NC(=O)c2c[n-]n3c2nccc3=O)CCS(=O)(=O)C1 ZINC001361759198 981315053 /nfs/dbraw/zinc/31/50/53/981315053.db2.gz SNRJVALNFJDADP-GFCCVEGCSA-N -1 0 310.335 -0.670 20 0 DBADRM O=C(NC[C@H]1CCCNC1=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001361779657 981320575 /nfs/dbraw/zinc/32/05/75/981320575.db2.gz AZYHCBUOMKCZAT-SSDOTTSWSA-N -1 0 317.305 -0.308 20 0 DBADRM O=C([C@H]1CCCC12OCCO2)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001361783023 981321433 /nfs/dbraw/zinc/32/14/33/981321433.db2.gz JXXPAPOPNPJHGJ-ZJUUUORDSA-N -1 0 309.326 -0.357 20 0 DBADRM O=C([C@@H]1CCCC12OCCO2)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001361783022 981322071 /nfs/dbraw/zinc/32/20/71/981322071.db2.gz JXXPAPOPNPJHGJ-VHSXEESVSA-N -1 0 309.326 -0.357 20 0 DBADRM CC(=O)Nc1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)nc1 ZINC001361785141 981323166 /nfs/dbraw/zinc/32/31/66/981323166.db2.gz ROMMOMIEILSDRM-NSHDSACASA-N -1 0 317.309 -0.233 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)C[C@H]2CCNC2=O)s1 ZINC001361841728 981340005 /nfs/dbraw/zinc/34/00/05/981340005.db2.gz IWWPSOXGDWDHDX-RXMQYKEDSA-N -1 0 319.368 -0.626 20 0 DBADRM CS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nnn[n-]2)n1 ZINC001361913990 981357896 /nfs/dbraw/zinc/35/78/96/981357896.db2.gz HCXSCWANSNRBRJ-UHFFFAOYSA-N -1 0 316.730 -0.418 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001361952612 981370436 /nfs/dbraw/zinc/37/04/36/981370436.db2.gz KLTPJAWRCGWQKQ-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)CCCc2nnn[n-]2)C1 ZINC001361958635 981373327 /nfs/dbraw/zinc/37/33/27/981373327.db2.gz JJRCYGYDENTMNP-VIFPVBQESA-N -1 0 316.387 -0.937 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001361963220 981374154 /nfs/dbraw/zinc/37/41/54/981374154.db2.gz DHWVKBNRRNDLAE-MRVPVSSYSA-N -1 0 320.305 -0.052 20 0 DBADRM CN(C)C(=O)[C@@H]1CSCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001361973592 981377082 /nfs/dbraw/zinc/37/70/82/981377082.db2.gz HCBDUSKTJSKQTO-VIFPVBQESA-N -1 0 321.362 -0.374 20 0 DBADRM COC(=O)[C@H]1COCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001362016817 981387549 /nfs/dbraw/zinc/38/75/49/981387549.db2.gz LTMAIGYRPMSKRY-MRVPVSSYSA-N -1 0 307.262 -0.058 20 0 DBADRM O=C(Cc1csc(N2CCOCC2)n1)NCc1nnn[n-]1 ZINC001362041925 981395579 /nfs/dbraw/zinc/39/55/79/981395579.db2.gz POCJJFUCCXODRV-UHFFFAOYSA-N -1 0 309.355 -0.648 20 0 DBADRM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1nnn[n-]1 ZINC001362053462 981400592 /nfs/dbraw/zinc/40/05/92/981400592.db2.gz KOWAJGBUWVGZEQ-GFCCVEGCSA-N -1 0 316.365 -0.052 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001362056662 981403883 /nfs/dbraw/zinc/40/38/83/981403883.db2.gz QDFDOACYGRKEEA-QMMMGPOBSA-N -1 0 302.294 -0.736 20 0 DBADRM O=C(NCc1nnn[n-]1)C1(n2cc(Br)cn2)CC1 ZINC001362059739 981404664 /nfs/dbraw/zinc/40/46/64/981404664.db2.gz PPUQQXKOEMXSFY-UHFFFAOYSA-N -1 0 312.131 -0.036 20 0 DBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1n[nH]c(=O)[n-]1 ZINC001362060556 981404801 /nfs/dbraw/zinc/40/48/01/981404801.db2.gz CLYJITYNYQBVME-ZCFIWIBFSA-N -1 0 306.369 -0.953 20 0 DBADRM O=C([C@@H]1CCn2cncc2C1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362059398 981405092 /nfs/dbraw/zinc/40/50/92/981405092.db2.gz GPJQMHSHMGHOCP-KOLCDFICSA-N -1 0 303.326 -0.441 20 0 DBADRM O=C(c1cccn(C2CC2)c1=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362062639 981405966 /nfs/dbraw/zinc/40/59/66/981405966.db2.gz NZHZWMDFUBDTFA-LLVKDONJSA-N -1 0 316.321 -0.090 20 0 DBADRM O=C(c1cccn(C2CC2)c1=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362062644 981406007 /nfs/dbraw/zinc/40/60/07/981406007.db2.gz NZHZWMDFUBDTFA-NSHDSACASA-N -1 0 316.321 -0.090 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001362073150 981409489 /nfs/dbraw/zinc/40/94/89/981409489.db2.gz KZNFVTBONWNODW-QMMMGPOBSA-N -1 0 318.355 -0.980 20 0 DBADRM COCCn1cc(NC(=O)Cn2c(=O)[n-][nH]c2=O)ccc1=O ZINC001362085751 981414013 /nfs/dbraw/zinc/41/40/13/981414013.db2.gz KPOFYJHTHHKXKY-UHFFFAOYSA-N -1 0 309.282 -0.864 20 0 DBADRM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362086233 981414400 /nfs/dbraw/zinc/41/44/00/981414400.db2.gz VSRPLFULMZBJOZ-JTQLQIEISA-N -1 0 304.310 -0.018 20 0 DBADRM Cc1ncc2c(n1)CCC[C@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362086239 981414413 /nfs/dbraw/zinc/41/44/13/981414413.db2.gz VSRPLFULMZBJOZ-SNVBAGLBSA-N -1 0 304.310 -0.018 20 0 DBADRM CNC(=O)c1cccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)c1C ZINC001362089006 981415765 /nfs/dbraw/zinc/41/57/65/981415765.db2.gz KZKMGKXDCGGLQQ-UHFFFAOYSA-N -1 0 305.294 -0.004 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362087715 981415803 /nfs/dbraw/zinc/41/58/03/981415803.db2.gz FXPLFYJMVLOWDG-GXSJLCMTSA-N -1 0 305.342 -0.288 20 0 DBADRM C[S@@](=O)C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1 ZINC001362093575 981417197 /nfs/dbraw/zinc/41/71/97/981417197.db2.gz AMCKDWLWZMKVAI-MLMJSJRWSA-N -1 0 324.362 -0.075 20 0 DBADRM O=C(N[C@@H]1CCCS(=O)(=O)C1)c1c[n-]n2c1nccc2=O ZINC001362102145 981421563 /nfs/dbraw/zinc/42/15/63/981421563.db2.gz YSFQFTJISWNARZ-MRVPVSSYSA-N -1 0 310.335 -0.670 20 0 DBADRM O=C(CCc1nnn[n-]1)NCCN1C(=O)COc2ccccc21 ZINC001362106874 981422811 /nfs/dbraw/zinc/42/28/11/981422811.db2.gz GFNHYYLTZFZYDZ-UHFFFAOYSA-N -1 0 316.321 -0.326 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001362105145 981422846 /nfs/dbraw/zinc/42/28/46/981422846.db2.gz XIMDTKROORWMCZ-SECBINFHSA-N -1 0 312.326 -0.073 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCSC[C@@H]1CCO ZINC001362113889 981425574 /nfs/dbraw/zinc/42/55/74/981425574.db2.gz HOKADLNYAGOORH-VIFPVBQESA-N -1 0 316.383 -0.204 20 0 DBADRM CCOC(=O)CNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001362122546 981428547 /nfs/dbraw/zinc/42/85/47/981428547.db2.gz JCGCFMLVXWWGIM-UHFFFAOYSA-N -1 0 319.321 -0.135 20 0 DBADRM COC(=O)[C@H](C)CN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362123313 981429425 /nfs/dbraw/zinc/42/94/25/981429425.db2.gz LWQSIRYJUQKMAV-MRVPVSSYSA-N -1 0 300.315 -0.263 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)C[C@H]2COC(=O)C2)s1 ZINC001362131892 981432569 /nfs/dbraw/zinc/43/25/69/981432569.db2.gz FCSTYOHWNVGFMZ-RXMQYKEDSA-N -1 0 320.352 -0.199 20 0 DBADRM COCC[C@](C)(O)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001362138076 981436211 /nfs/dbraw/zinc/43/62/11/981436211.db2.gz BORAEWYZWOXKPN-LBPRGKRZSA-N -1 0 301.299 -0.586 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362144638 981436905 /nfs/dbraw/zinc/43/69/05/981436905.db2.gz BPEXWWCAEPJCDI-SECBINFHSA-N -1 0 315.337 -0.575 20 0 DBADRM C[C@H](CC[S@@](C)=O)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362171777 981448893 /nfs/dbraw/zinc/44/88/93/981448893.db2.gz IEKYXBIJIHYJCD-PVBMHHQDSA-N -1 0 322.394 -0.038 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001362190339 981454866 /nfs/dbraw/zinc/45/48/66/981454866.db2.gz ZQGXQZIYNSYQSC-RKDXNWHRSA-N -1 0 324.362 -0.330 20 0 DBADRM C[C@@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C(=O)N(C)C ZINC001362196818 981456062 /nfs/dbraw/zinc/45/60/62/981456062.db2.gz FXLFKVRFJVPABR-MRVPVSSYSA-N -1 0 303.326 -0.719 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC001362200946 981458357 /nfs/dbraw/zinc/45/83/57/981458357.db2.gz SURUFNXLYUISFI-QMMMGPOBSA-N -1 0 305.298 -0.573 20 0 DBADRM O=C(NCC1(CO)CC1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362214054 981463259 /nfs/dbraw/zinc/46/32/59/981463259.db2.gz FWYNJIHRBLWVKW-UHFFFAOYSA-N -1 0 304.306 -0.232 20 0 DBADRM CN1CCc2ccc(NC(=O)Cn3c(=O)[n-][nH]c3=O)cc2C1=O ZINC001362215419 981465657 /nfs/dbraw/zinc/46/56/57/981465657.db2.gz JSZSCQLHMUGEJT-UHFFFAOYSA-N -1 0 317.305 -0.044 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1COc2ccccc2C1=O ZINC001362224997 981469776 /nfs/dbraw/zinc/46/97/76/981469776.db2.gz MYBVPQFLETZOFG-MRVPVSSYSA-N -1 0 304.262 -0.551 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001362229864 981471062 /nfs/dbraw/zinc/47/10/62/981471062.db2.gz JMSQEQCUXHYHRY-CYBMUJFWSA-N -1 0 312.326 -0.119 20 0 DBADRM COC[C@@H](CCO)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362245085 981477532 /nfs/dbraw/zinc/47/75/32/981477532.db2.gz RBZQCNQAJDRVTR-SNVBAGLBSA-N -1 0 322.321 -0.607 20 0 DBADRM CC(=O)Nc1cnccc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362247663 981479743 /nfs/dbraw/zinc/47/97/43/981479743.db2.gz UXLHALLAESOICO-LLVKDONJSA-N -1 0 317.309 -0.233 20 0 DBADRM O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362246920 981479983 /nfs/dbraw/zinc/47/99/83/981479983.db2.gz ROOLKRZKIKZDKO-IUCAKERBSA-N -1 0 313.339 -0.952 20 0 DBADRM O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362246918 981480092 /nfs/dbraw/zinc/48/00/92/981480092.db2.gz ROOLKRZKIKZDKO-DTWKUNHWSA-N -1 0 313.339 -0.952 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC001362253181 981484081 /nfs/dbraw/zinc/48/40/81/981484081.db2.gz OSIQODQEUOSLAY-QPUJVOFHSA-N -1 0 314.367 -0.140 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC001362253188 981484195 /nfs/dbraw/zinc/48/41/95/981484195.db2.gz OSIQODQEUOSLAY-UFBFGSQYSA-N -1 0 314.367 -0.140 20 0 DBADRM COC(=O)C[C@H]1CSCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362269480 981490609 /nfs/dbraw/zinc/49/06/09/981490609.db2.gz YBFLUODAQSQGRN-LURJTMIESA-N -1 0 314.323 -0.597 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362281246 981495053 /nfs/dbraw/zinc/49/50/53/981495053.db2.gz NLRABSBCNQMZIB-QMMMGPOBSA-N -1 0 320.371 -0.591 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC001362283803 981496444 /nfs/dbraw/zinc/49/64/44/981496444.db2.gz GRBUUANSSZTMBR-SECBINFHSA-N -1 0 323.353 -0.261 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362289329 981499705 /nfs/dbraw/zinc/49/97/05/981499705.db2.gz AZPIBJKKEDPPDV-ZETCQYMHSA-N -1 0 305.294 -0.870 20 0 DBADRM C[C@H]1CN(C(=O)CCCc2nnn[n-]2)CCN1S(C)(=O)=O ZINC001362290910 981499715 /nfs/dbraw/zinc/49/97/15/981499715.db2.gz CIHVUGSRXNJKIB-VIFPVBQESA-N -1 0 316.387 -0.985 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCC2(COC(=O)N2)CC1 ZINC001362313873 981508526 /nfs/dbraw/zinc/50/85/26/981508526.db2.gz WHPCVOZFYBNFOU-UHFFFAOYSA-N -1 0 317.305 -0.263 20 0 DBADRM COc1c[nH]c(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1=O ZINC001362311964 981508940 /nfs/dbraw/zinc/50/89/40/981508940.db2.gz MISXFRTUTRVNDR-MRVPVSSYSA-N -1 0 304.310 -0.084 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCCN(CC(F)F)CC1 ZINC001362315912 981510583 /nfs/dbraw/zinc/51/05/83/981510583.db2.gz PPSCZPGFSJLZTI-UHFFFAOYSA-N -1 0 303.269 -0.304 20 0 DBADRM CCc1nn(C)c(CC)c1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362315241 981510800 /nfs/dbraw/zinc/51/08/00/981510800.db2.gz RTSSKNZVHMOBQY-UHFFFAOYSA-N -1 0 308.342 -0.136 20 0 DBADRM Cn1cccc1[C@@H]1COCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362320422 981513406 /nfs/dbraw/zinc/51/34/06/981513406.db2.gz LEMHTURTMXBWPT-VIFPVBQESA-N -1 0 305.294 -0.165 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc2cnccc2n1 ZINC001362329565 981516120 /nfs/dbraw/zinc/51/61/20/981516120.db2.gz CASJEOGIJCUIOQ-UHFFFAOYSA-N -1 0 322.346 -0.175 20 0 DBADRM CC1(C)OCC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CO1 ZINC001362329817 981516446 /nfs/dbraw/zinc/51/64/46/981516446.db2.gz ZGJPODJHDBZBQD-UHFFFAOYSA-N -1 0 300.315 -0.263 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnc(C2CC2)nc1 ZINC001362338089 981521126 /nfs/dbraw/zinc/52/11/26/981521126.db2.gz SGMHGMXVHMLFQZ-UHFFFAOYSA-N -1 0 312.351 -0.450 20 0 DBADRM CCO[C@@H](C(=O)Nc1n[nH]c(CC(=O)OC)n1)[C@@H]1CCOC1 ZINC001362342223 981522044 /nfs/dbraw/zinc/52/20/44/981522044.db2.gz XKEAJRUKMIKGKY-LDYMZIIASA-N -1 0 312.326 -0.100 20 0 DBADRM CCO[C@H](C(=O)Nc1n[nH]c(CC(=O)OC)n1)[C@H]1CCOC1 ZINC001362342220 981522506 /nfs/dbraw/zinc/52/25/06/981522506.db2.gz XKEAJRUKMIKGKY-KWQFWETISA-N -1 0 312.326 -0.100 20 0 DBADRM CCc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n(C)n1 ZINC001362346046 981523499 /nfs/dbraw/zinc/52/34/99/981523499.db2.gz IMMSCCKCKFFJKL-UHFFFAOYSA-N -1 0 302.356 -0.822 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@]12C[C@H]1COC21CCC1 ZINC001362348135 981524542 /nfs/dbraw/zinc/52/45/42/981524542.db2.gz OWNKWKOMMUOIFN-ZANVPECISA-N -1 0 316.379 -0.472 20 0 DBADRM COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)CCCc1nnn[n-]1 ZINC001362358232 981529480 /nfs/dbraw/zinc/52/94/80/981529480.db2.gz UJXUIUFIHNDWPV-VHSXEESVSA-N -1 0 311.342 -0.299 20 0 DBADRM O=C(NC1CCN(c2cccnn2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001362359856 981530779 /nfs/dbraw/zinc/53/07/79/981530779.db2.gz SZQIPDPYEIDDES-UHFFFAOYSA-N -1 0 317.309 -0.528 20 0 DBADRM O=C(c1cnc2n1CCOC2)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362365344 981532996 /nfs/dbraw/zinc/53/29/96/981532996.db2.gz GXEZSQQGRSQXKR-SECBINFHSA-N -1 0 321.366 -0.143 20 0 DBADRM Cn1cc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)n(C)c1=O ZINC001362368946 981533703 /nfs/dbraw/zinc/53/37/03/981533703.db2.gz PIQFPCJHTFISEP-MRVPVSSYSA-N -1 0 309.355 -0.833 20 0 DBADRM O=C(c1cccnc1OCCO)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362379212 981539196 /nfs/dbraw/zinc/53/91/96/981539196.db2.gz XHQMUANIBOWGJF-JTQLQIEISA-N -1 0 318.337 -0.014 20 0 DBADRM CC(=O)N1CCCC[C@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362384025 981542128 /nfs/dbraw/zinc/54/21/28/981542128.db2.gz BRCCITOGXKXTSQ-NSHDSACASA-N -1 0 322.369 -0.589 20 0 DBADRM CCN(C(=O)c1ccc(-c2nn[nH]n2)cn1)[C@H]1CCNC1=O ZINC001362386332 981542190 /nfs/dbraw/zinc/54/21/90/981542190.db2.gz DNZBRZPVQSNFEY-JTQLQIEISA-N -1 0 301.310 -0.388 20 0 DBADRM CO[C@H](C(=O)N1CCC(O)(c2nnn[n-]2)CC1)[C@@H]1CCOC1 ZINC001362388957 981544046 /nfs/dbraw/zinc/54/40/46/981544046.db2.gz OURNRYAUAQAQHY-ZJUUUORDSA-N -1 0 311.342 -0.939 20 0 DBADRM Cc1cnn(CCC(=O)N2CCC(O)(c3nnn[n-]3)CC2)c1 ZINC001362391650 981545652 /nfs/dbraw/zinc/54/56/52/981545652.db2.gz XACDKCJIOFCIKA-UHFFFAOYSA-N -1 0 305.342 -0.395 20 0 DBADRM CN1CCC[C@@H]1c1cc(C(=O)NCCc2nc(=O)o[n-]2)[nH]n1 ZINC001362400957 981551167 /nfs/dbraw/zinc/55/11/67/981551167.db2.gz KORCIRNAZDDDCO-SNVBAGLBSA-N -1 0 306.326 -0.175 20 0 DBADRM CCOC(=O)C1(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001362406797 981553738 /nfs/dbraw/zinc/55/37/38/981553738.db2.gz LBTOVNMUUXOTIN-UHFFFAOYSA-N -1 0 312.326 -0.071 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)nn1 ZINC001362407259 981554653 /nfs/dbraw/zinc/55/46/53/981554653.db2.gz PPRBMUKHRNWWBV-RKDXNWHRSA-N -1 0 306.330 -0.749 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362407157 981554845 /nfs/dbraw/zinc/55/48/45/981554845.db2.gz NPQGVDXMYOIEIF-RKDXNWHRSA-N -1 0 301.372 -0.414 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)nn1 ZINC001362407258 981555914 /nfs/dbraw/zinc/55/59/14/981555914.db2.gz PPRBMUKHRNWWBV-IUCAKERBSA-N -1 0 306.330 -0.749 20 0 DBADRM C[C@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@@H]1O ZINC001362413065 981557670 /nfs/dbraw/zinc/55/76/70/981557670.db2.gz WJSAMIFSFATSRI-CABZTGNLSA-N -1 0 302.338 -0.082 20 0 DBADRM O=C(c1cnn2c1NCCC2)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362433475 981566890 /nfs/dbraw/zinc/56/68/90/981566890.db2.gz FBOIYGIJNVBNHQ-UHFFFAOYSA-N -1 0 318.341 -0.664 20 0 DBADRM NC(=O)c1cccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c1 ZINC001362435401 981567004 /nfs/dbraw/zinc/56/70/04/981567004.db2.gz JMNKFGDDJHUTOY-UHFFFAOYSA-N -1 0 316.321 -0.578 20 0 DBADRM CN1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C(C)(C)C1=O ZINC001362437201 981568887 /nfs/dbraw/zinc/56/88/87/981568887.db2.gz FRPGXZYFRFAIRH-UHFFFAOYSA-N -1 0 311.342 -0.451 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)c1nnn[n-]1 ZINC001362453464 981578885 /nfs/dbraw/zinc/57/88/85/981578885.db2.gz LTTZOOMJSUGNDZ-KWQFWETISA-N -1 0 318.341 -0.312 20 0 DBADRM C[C@H](CN(C)C(=O)CCC(=O)N1CCC(O)CC1)c1nnn[n-]1 ZINC001362455941 981580412 /nfs/dbraw/zinc/58/04/12/981580412.db2.gz QFPWJGFTPNWWJH-SNVBAGLBSA-N -1 0 324.385 -0.475 20 0 DBADRM CNC(=O)C1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001362459212 981581728 /nfs/dbraw/zinc/58/17/28/981581728.db2.gz CDXWQOQCYGJUDQ-UHFFFAOYSA-N -1 0 317.305 -0.916 20 0 DBADRM CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nnn[n-]1 ZINC001362479382 981591386 /nfs/dbraw/zinc/59/13/86/981591386.db2.gz COCRBFRLHAPKBP-NSHDSACASA-N -1 0 302.338 -0.394 20 0 DBADRM CC[C@@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@@H]1O ZINC001362478871 981591608 /nfs/dbraw/zinc/59/16/08/981591608.db2.gz BTFBLRSVNYUJOO-SKDRFNHKSA-N -1 0 302.338 -0.082 20 0 DBADRM COC(=O)c1cnc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)cn1 ZINC001362494540 981599843 /nfs/dbraw/zinc/59/98/43/981599843.db2.gz BSPVZAOBVMDTCY-ZETCQYMHSA-N -1 0 305.298 -0.348 20 0 DBADRM CCC(CC)(NC(=O)CCn1ncn(C)c1=O)c1nnn[n-]1 ZINC001362494044 981600449 /nfs/dbraw/zinc/60/04/49/981600449.db2.gz FUZNUNYGLVNQRY-UHFFFAOYSA-N -1 0 308.346 -0.683 20 0 DBADRM COc1cc(OC)nc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)n1 ZINC001362499314 981602724 /nfs/dbraw/zinc/60/27/24/981602724.db2.gz NCROTTOHJCSHAD-ZETCQYMHSA-N -1 0 307.314 -0.117 20 0 DBADRM O=C(CCc1nnn[n-]1)NC[C@@H](O)COc1ccc(F)cc1 ZINC001362503347 981604412 /nfs/dbraw/zinc/60/44/12/981604412.db2.gz GQEGLYPTKBGNKR-SNVBAGLBSA-N -1 0 309.301 -0.173 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1C[C@H](O)CC(F)(F)C1 ZINC001362514331 981612689 /nfs/dbraw/zinc/61/26/89/981612689.db2.gz BRUPMMWWQHLISF-SSDOTTSWSA-N -1 0 306.269 -0.302 20 0 DBADRM O=C(c1cn2c(n1)COCC2)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362522047 981619567 /nfs/dbraw/zinc/61/95/67/981619567.db2.gz VFQGHSRFOYODRS-SECBINFHSA-N -1 0 321.366 -0.143 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC001362525709 981626044 /nfs/dbraw/zinc/62/60/44/981626044.db2.gz GDKLVISYZIXZEE-SNVBAGLBSA-N -1 0 324.259 -0.005 20 0 DBADRM Cc1cc(C)nc(N2CCN(C(=O)CCc3nnn[n-]3)CC2)n1 ZINC001362528167 981629439 /nfs/dbraw/zinc/62/94/39/981629439.db2.gz AFPXTLLPFBEVBD-UHFFFAOYSA-N -1 0 316.369 -0.112 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@@H](C)C(N)=O)cc2=O)n1 ZINC001362534663 981638687 /nfs/dbraw/zinc/63/86/87/981638687.db2.gz SNJGNIUNBFFBCL-QMMMGPOBSA-N -1 0 304.310 -0.824 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@H](C)C(N)=O)cc2=O)n1 ZINC001362534659 981641396 /nfs/dbraw/zinc/64/13/96/981641396.db2.gz SNJGNIUNBFFBCL-MRVPVSSYSA-N -1 0 304.310 -0.824 20 0 DBADRM CN(C)C(=O)[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001362552013 981664600 /nfs/dbraw/zinc/66/46/00/981664600.db2.gz QFIOHMQWHLGNTO-SECBINFHSA-N -1 0 311.342 -0.594 20 0 DBADRM O=C(CN1CCCCCC1=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362557775 981669842 /nfs/dbraw/zinc/66/98/42/981669842.db2.gz AVPFDGYIXOAZNN-UHFFFAOYSA-N -1 0 322.369 -0.588 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC001362561207 981681628 /nfs/dbraw/zinc/68/16/28/981681628.db2.gz IZKILZPAPPAXIY-SNVBAGLBSA-N -1 0 322.369 -0.732 20 0 DBADRM O=C(c1cnn2c1OCCC2)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362561463 981683912 /nfs/dbraw/zinc/68/39/12/981683912.db2.gz MIZQRVCDFRRAOG-UHFFFAOYSA-N -1 0 319.325 -0.698 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001362564724 981685517 /nfs/dbraw/zinc/68/55/17/981685517.db2.gz AUQZGWJUAOVOOM-RKDXNWHRSA-N -1 0 314.367 -0.894 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)n1 ZINC001362564655 981688322 /nfs/dbraw/zinc/68/83/22/981688322.db2.gz ZNYTWCCIFBADRK-SECBINFHSA-N -1 0 315.337 -0.026 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnc2n[nH]cc2c1 ZINC001362569655 981702350 /nfs/dbraw/zinc/70/23/50/981702350.db2.gz PPJWWPDAJUBSIS-UHFFFAOYSA-N -1 0 311.323 -0.846 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC001362569582 981703504 /nfs/dbraw/zinc/70/35/04/981703504.db2.gz IUWDFNWIVMWWTG-ZJUUUORDSA-N -1 0 313.383 -0.300 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCOC[C@H]2CC(N)=O)cc1=O ZINC001362571551 981704446 /nfs/dbraw/zinc/70/44/46/981704446.db2.gz QSLLMKWYAAOTIT-GFCCVEGCSA-N -1 0 324.381 -0.522 20 0 DBADRM Cc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nn1C(C)C ZINC001362571818 981705840 /nfs/dbraw/zinc/70/58/40/981705840.db2.gz UPXRGNRODQVXDB-UHFFFAOYSA-N -1 0 316.383 -0.032 20 0 DBADRM COc1nsc(OC)c1C(=O)NCCc1nc(=O)o[n-]1 ZINC001362588418 981728365 /nfs/dbraw/zinc/72/83/65/981728365.db2.gz CVLKOGQQRFSWFJ-UHFFFAOYSA-N -1 0 300.296 -0.191 20 0 DBADRM COC(=O)c1ccn(CCCC(=O)NCCc2nc(=O)o[n-]2)n1 ZINC001362590139 981732315 /nfs/dbraw/zinc/73/23/15/981732315.db2.gz FNARJECUWQZDBD-UHFFFAOYSA-N -1 0 323.309 -0.515 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(CN2CCOCC2)o1 ZINC001362591205 981732578 /nfs/dbraw/zinc/73/25/78/981732578.db2.gz KNVQPSCXCKLGFJ-UHFFFAOYSA-N -1 0 322.321 -0.239 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)CCNC(=O)CO)c1nc(=O)o[n-]1 ZINC001362592476 981736177 /nfs/dbraw/zinc/73/61/77/981736177.db2.gz SWNUATKOVLVUHR-VIFPVBQESA-N -1 0 300.315 -0.935 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@H]1CCCc2c1cnn2CCO ZINC001362601779 981743582 /nfs/dbraw/zinc/74/35/82/981743582.db2.gz OINDHQSBJAFCKP-JTQLQIEISA-N -1 0 305.342 -0.485 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001362605731 981747024 /nfs/dbraw/zinc/74/70/24/981747024.db2.gz NGFOPLVLFCLPEA-WDSKDSINSA-N -1 0 322.243 -0.364 20 0 DBADRM C[C@H]1OCC[C@]12CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C[C@@H](C)O2 ZINC001362621481 981768130 /nfs/dbraw/zinc/76/81/30/981768130.db2.gz PXGSOOXXXACDJZ-KKFJDGPESA-N -1 0 312.326 -0.516 20 0 DBADRM NC(=O)[C@H](O)CNC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001362624546 981770704 /nfs/dbraw/zinc/77/07/04/981770704.db2.gz WNSIVJMSDDTCGK-SECBINFHSA-N -1 0 308.269 -0.707 20 0 DBADRM Cn1nc([C@@H]2CCCO2)cc1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362632927 981777084 /nfs/dbraw/zinc/77/70/84/981777084.db2.gz RKJDWSUIXSTUKE-QMMMGPOBSA-N -1 0 308.298 -0.087 20 0 DBADRM CCc1nnc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[nH]1 ZINC001362636251 981780739 /nfs/dbraw/zinc/78/07/39/981780739.db2.gz XNLLBPSVSTVHJJ-UHFFFAOYSA-N -1 0 302.298 -0.932 20 0 DBADRM Cn1cc([C@@H]2CSCCN2C(=O)Cn2c(=O)[n-][nH]c2=O)cn1 ZINC001362635888 981780976 /nfs/dbraw/zinc/78/09/76/981780976.db2.gz ZGAJZTKBSDAMKQ-VIFPVBQESA-N -1 0 324.366 -0.261 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[C@@H](C)[S@@](=O)CC1 ZINC001362641448 981788373 /nfs/dbraw/zinc/78/83/73/981788373.db2.gz CDEHDLQAOSJEMA-QFWYVNQISA-N -1 0 315.351 -0.121 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H](O)Cc1ccccc1 ZINC001362646286 981794321 /nfs/dbraw/zinc/79/43/21/981794321.db2.gz DZRFFJMELVXJCP-ONGXEEELSA-N -1 0 306.322 -0.202 20 0 DBADRM CN(C)[C@]1(C(=O)Nn2c(=O)[n-][nH]c2=O)COc2ccccc2C1 ZINC001362658312 981803671 /nfs/dbraw/zinc/80/36/71/981803671.db2.gz SWHHCOPAJOTDQP-AWEZNQCLSA-N -1 0 319.321 -0.305 20 0 DBADRM C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362680762 981814536 /nfs/dbraw/zinc/81/45/36/981814536.db2.gz OBNLTMVRRLHLFV-GXSJLCMTSA-N -1 0 306.322 -0.030 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCN([C@@H]3CCOC3=O)CC2)c1[O-] ZINC001362682485 981816577 /nfs/dbraw/zinc/81/65/77/981816577.db2.gz KXKVFVCKEQMKAO-SNVBAGLBSA-N -1 0 308.338 -0.067 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362683312 981817002 /nfs/dbraw/zinc/81/70/02/981817002.db2.gz KDFIFLXIXGOKSW-MRVPVSSYSA-N -1 0 317.396 -0.607 20 0 DBADRM O=C([C@@H]1CCC2N=NC(=O)N2C1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362685992 981818107 /nfs/dbraw/zinc/81/81/07/981818107.db2.gz JAHUTOWDDFHEFN-RKDXNWHRSA-N -1 0 318.341 -0.535 20 0 DBADRM C[C@@H]1OCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C(F)(F)F ZINC001362686667 981818185 /nfs/dbraw/zinc/81/81/85/981818185.db2.gz IRCAACSIXJVSRW-FSPLSTOPSA-N -1 0 310.232 -0.133 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1CCn2ccnc2C1 ZINC001362689475 981820238 /nfs/dbraw/zinc/82/02/38/981820238.db2.gz XYBVRZYERBTNEU-VIFPVBQESA-N -1 0 313.321 -0.601 20 0 DBADRM O=C([C@@H](O)c1ccccn1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362689605 981820706 /nfs/dbraw/zinc/82/07/06/981820706.db2.gz YUZLIZLTMHBEDX-ZJUUUORDSA-N -1 0 306.351 -0.055 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CCn2ccnc2C1 ZINC001362689468 981820942 /nfs/dbraw/zinc/82/09/42/981820942.db2.gz XYBVRZYERBTNEU-SECBINFHSA-N -1 0 313.321 -0.601 20 0 DBADRM CN(C)[C@H](C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)c1cncn1C ZINC001362690662 981822770 /nfs/dbraw/zinc/82/27/70/981822770.db2.gz VINKXKZTKSKVNH-PWSUYJOCSA-N -1 0 318.385 -0.058 20 0 DBADRM Cc1nccnc1N1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001362701245 981828672 /nfs/dbraw/zinc/82/86/72/981828672.db2.gz FEIQFLGGDPAQJW-UHFFFAOYSA-N -1 0 302.342 -0.420 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H]1OC ZINC001362702824 981830824 /nfs/dbraw/zinc/83/08/24/981830824.db2.gz IWVDCIBFVFOZCL-KKZNHRDASA-N -1 0 314.342 -0.222 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H](CO)c1ccc(F)cc1F ZINC001362711254 981836999 /nfs/dbraw/zinc/83/69/99/981836999.db2.gz NPSQDOFWGFIXKF-VIFPVBQESA-N -1 0 314.248 -0.183 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2s[n-]c(=O)c2Cl)C[C@H]1C(N)=O ZINC001362714913 981840398 /nfs/dbraw/zinc/84/03/98/981840398.db2.gz ZXVSEKLYNKQMJI-QWWZWVQMSA-N -1 0 318.742 -0.839 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)c2c[n-]ncc2=O)C1 ZINC001362717961 981844642 /nfs/dbraw/zinc/84/46/42/981844642.db2.gz OQBNJMWJGYVMDQ-QMMMGPOBSA-N -1 0 300.340 -0.677 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001362721304 981845436 /nfs/dbraw/zinc/84/54/36/981845436.db2.gz SYKJQINEBXQMQO-UHFFFAOYSA-N -1 0 318.355 -0.824 20 0 DBADRM C[C@H](Oc1ccccn1)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362722070 981848648 /nfs/dbraw/zinc/84/86/48/981848648.db2.gz FAPGEPZQVFIJKU-JTQLQIEISA-N -1 0 318.337 -0.128 20 0 DBADRM COCc1ncsc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362725641 981849487 /nfs/dbraw/zinc/84/94/87/981849487.db2.gz NVSSEFWGPTVOJR-UHFFFAOYSA-N -1 0 324.366 -0.074 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CC(C2CS(=O)(=O)C2)C1 ZINC001362728381 981851624 /nfs/dbraw/zinc/85/16/24/981851624.db2.gz QYGYWOBOIPZRBR-UHFFFAOYSA-N -1 0 318.380 -0.895 20 0 DBADRM Cc1cc(C)n(CCC(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001362732793 981854482 /nfs/dbraw/zinc/85/44/82/981854482.db2.gz UHIAJQWZYQPINJ-UHFFFAOYSA-N -1 0 319.369 -0.087 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2c[n-]ncc2=O)C1 ZINC001362750114 981864109 /nfs/dbraw/zinc/86/41/09/981864109.db2.gz KXYNMIBPRRCGSR-MRVPVSSYSA-N -1 0 300.340 -0.664 20 0 DBADRM Cn1cc([C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)CCO2)cn1 ZINC001362759019 981870233 /nfs/dbraw/zinc/87/02/33/981870233.db2.gz JCLKGQKDTAXHBC-RKDXNWHRSA-N -1 0 320.309 -0.334 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@H]1CNC(=O)C1 ZINC001362761328 981871249 /nfs/dbraw/zinc/87/12/49/981871249.db2.gz XLWXZBOOAQKUSY-APPZFPTMSA-N -1 0 309.288 -0.058 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001362761330 981871998 /nfs/dbraw/zinc/87/19/98/981871998.db2.gz XLWXZBOOAQKUSY-CBAPKCEASA-N -1 0 309.288 -0.058 20 0 DBADRM COC(=O)CC[C@@H]1CC[C@H](C(=O)Nn2c(=O)[n-][nH]c2=O)O1 ZINC001362791475 981889173 /nfs/dbraw/zinc/88/91/73/981889173.db2.gz AUMKRARNSCJBLR-NKWVEPMBSA-N -1 0 300.271 -0.740 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC001362799554 981894471 /nfs/dbraw/zinc/89/44/71/981894471.db2.gz OGMQFRLHHASREC-ZCFIWIBFSA-N -1 0 305.294 -0.093 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1noc(C(F)(F)F)n1 ZINC001362819329 981915565 /nfs/dbraw/zinc/91/55/65/981915565.db2.gz LHZMTRREQYRBAI-VKHMYHEASA-N -1 0 322.203 -0.032 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001362824289 981917361 /nfs/dbraw/zinc/91/73/61/981917361.db2.gz VDPOGHCMYWIUQE-QMMMGPOBSA-N -1 0 320.371 -0.494 20 0 DBADRM NC(=O)[C@H]1CCCN1C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362826299 981919986 /nfs/dbraw/zinc/91/99/86/981919986.db2.gz QYJBYQNHGYFKHW-SNVBAGLBSA-N -1 0 317.305 -0.644 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCc2[nH]cnc2C12CCOCC2 ZINC001362839515 981933249 /nfs/dbraw/zinc/93/32/49/981933249.db2.gz HXRRFGOCSADRCG-UHFFFAOYSA-N -1 0 317.353 -0.054 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNC(=O)CCCc2nnn[n-]2)C1(F)F ZINC001362848958 981941787 /nfs/dbraw/zinc/94/17/87/981941787.db2.gz HMYVCSQEGZJUID-RCOVLWMOSA-N -1 0 303.269 -0.307 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1COC[C@H]1O ZINC001362851903 981944240 /nfs/dbraw/zinc/94/42/40/981944240.db2.gz BXISILDQMDJGQJ-GHMZBOCLSA-N -1 0 300.336 -0.452 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362860032 981952384 /nfs/dbraw/zinc/95/23/84/981952384.db2.gz UCSONRAXISVZQK-MRVPVSSYSA-N -1 0 319.321 -0.479 20 0 DBADRM O=C(CCCc1nnn[n-]1)NC[C@H](CO)Cc1cccnc1 ZINC001362859362 981952811 /nfs/dbraw/zinc/95/28/11/981952811.db2.gz URYWBPXEINAIQD-GFCCVEGCSA-N -1 0 304.354 -0.115 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCC1CC2(C1)OCCO2 ZINC001362863042 981953739 /nfs/dbraw/zinc/95/37/39/981953739.db2.gz IFTVGMWYOJOKTD-UHFFFAOYSA-N -1 0 312.326 -0.261 20 0 DBADRM C[C@@H](O)c1cn(C2CN(C(=O)CCCc3nnn[n-]3)C2)nn1 ZINC001362861859 981955174 /nfs/dbraw/zinc/95/51/74/981955174.db2.gz XYVGXOQSSRDIEX-MRVPVSSYSA-N -1 0 306.330 -0.749 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H](N2CCCC2=O)CC1 ZINC001362865426 981956898 /nfs/dbraw/zinc/95/68/98/981956898.db2.gz BGBPSVBLCQPEBK-JTQLQIEISA-N -1 0 323.353 -0.307 20 0 DBADRM CC(=O)C[C@@H]1COCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362891913 981975873 /nfs/dbraw/zinc/97/58/73/981975873.db2.gz IOSOAENMBJQELS-SNVBAGLBSA-N -1 0 312.326 -0.324 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CCc2nncn2CC1)c1nnn[n-]1 ZINC001362899294 981981449 /nfs/dbraw/zinc/98/14/49/981981449.db2.gz LYQWNZSLDLWEOK-IUCAKERBSA-N -1 0 306.330 -0.752 20 0 DBADRM Cc1cc(CCC(=O)NCCC(=O)[N-]S(C)(=O)=O)no1 ZINC001362900177 981982685 /nfs/dbraw/zinc/98/26/85/981982685.db2.gz LBTNJJFYFMHSKF-UHFFFAOYSA-N -1 0 303.340 -0.502 20 0 DBADRM CN(C)Cc1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)o1 ZINC001362901788 981983098 /nfs/dbraw/zinc/98/30/98/981983098.db2.gz QKCWPYKJHGXTCP-UHFFFAOYSA-N -1 0 317.367 -0.463 20 0 DBADRM O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001362906583 981988312 /nfs/dbraw/zinc/98/83/12/981988312.db2.gz OJDMLBZAWVPGHO-NXEZZACHSA-N -1 0 313.383 -0.585 20 0 DBADRM O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001362906591 981989648 /nfs/dbraw/zinc/98/96/48/981989648.db2.gz OJDMLBZAWVPGHO-UWVGGRQHSA-N -1 0 313.383 -0.585 20 0 DBADRM COC[C@@H](NC(=O)CCc1ccccc1C(N)=O)c1nnn[n-]1 ZINC001362909977 981993409 /nfs/dbraw/zinc/99/34/09/981993409.db2.gz OYPVFLXAZLYIAL-LLVKDONJSA-N -1 0 318.337 -0.265 20 0 DBADRM CC1(C)CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H](CO)O1 ZINC001362911035 981995053 /nfs/dbraw/zinc/99/50/53/981995053.db2.gz YYSDPXMHJPPREQ-SECBINFHSA-N -1 0 314.342 -0.532 20 0 DBADRM CNC(=O)C1(NC(=O)c2c[n-]n3c2nccc3=O)CCOCC1 ZINC001362924700 982006274 /nfs/dbraw/zinc/00/62/74/982006274.db2.gz CSFYAQUPCOIVDF-UHFFFAOYSA-N -1 0 319.321 -0.952 20 0 DBADRM CCOC(=O)[C@H](F)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001362934273 982012053 /nfs/dbraw/zinc/01/20/53/982012053.db2.gz GLWFUGIUUHUQBT-MRVPVSSYSA-N -1 0 302.262 -0.951 20 0 DBADRM Cc1nc(C)c(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[nH]1 ZINC001362944269 982018718 /nfs/dbraw/zinc/01/87/18/982018718.db2.gz DABCWLQIXZLQQP-UHFFFAOYSA-N -1 0 301.310 -0.272 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cc(=O)[nH]cc1Br ZINC001362949915 982022526 /nfs/dbraw/zinc/02/25/26/982022526.db2.gz PXRJUMHGZPKXHV-UHFFFAOYSA-N -1 0 316.071 -0.064 20 0 DBADRM O=C(N[C@@H]1C[C@@H](O)[C@@H](O)C1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001362957610 982026720 /nfs/dbraw/zinc/02/67/20/982026720.db2.gz XZBSKYLETWPVTE-RTCCRHLQSA-N -1 0 305.290 -0.356 20 0 DBADRM O=C(NC[C@H]1COCO1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362976288 982040421 /nfs/dbraw/zinc/04/04/21/982040421.db2.gz HUENPTZBOQSDNJ-JTQLQIEISA-N -1 0 306.278 -0.631 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCCC[C@H]1C(=O)NCC(F)F ZINC001362977879 982041410 /nfs/dbraw/zinc/04/14/10/982041410.db2.gz IZQLKTBMTSMHKN-QMMMGPOBSA-N -1 0 316.312 -0.105 20 0 DBADRM COCCN(C[C@@H](O)C(F)(F)F)C(=O)CCc1nnn[n-]1 ZINC001362988355 982050177 /nfs/dbraw/zinc/05/01/77/982050177.db2.gz JJWIXRJMBZDLMX-SSDOTTSWSA-N -1 0 311.264 -0.470 20 0 DBADRM CSCC[C@H](NC(=O)CSCC(N)=O)c1nnn[n-]1 ZINC001363003352 982061925 /nfs/dbraw/zinc/06/19/25/982061925.db2.gz VMJGGLKCHKQIEX-LURJTMIESA-N -1 0 304.401 -0.671 20 0 DBADRM C[C@@H]1NC(=O)[C@H](C)N(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H]1C ZINC001363008357 982064167 /nfs/dbraw/zinc/06/41/67/982064167.db2.gz KBVCARUJDNLDFR-CIUDSAMLSA-N -1 0 318.337 -0.805 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1noc(C(F)F)n1 ZINC001363006037 982065048 /nfs/dbraw/zinc/06/50/48/982065048.db2.gz NRGSQBGNWGIGAF-VKHMYHEASA-N -1 0 304.213 -0.113 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001363008359 982067332 /nfs/dbraw/zinc/06/73/32/982067332.db2.gz KBVCARUJDNLDFR-XHNCKOQMSA-N -1 0 318.337 -0.805 20 0 DBADRM CCOC(=O)CC1(NC(=O)CCc2nnn[n-]2)CCOCC1 ZINC001363023909 982079677 /nfs/dbraw/zinc/07/96/77/982079677.db2.gz LDBYGGMEKUJWGQ-UHFFFAOYSA-N -1 0 311.342 -0.249 20 0 DBADRM Cn1nccc1[C@@H]1CN(C(=O)CCCc2nnn[n-]2)CCO1 ZINC001363026714 982084060 /nfs/dbraw/zinc/08/40/60/982084060.db2.gz FNIMENVUNVGEAK-NSHDSACASA-N -1 0 305.342 -0.144 20 0 DBADRM Cc1cc(=O)c(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c[nH]1 ZINC001363028559 982084310 /nfs/dbraw/zinc/08/43/10/982084310.db2.gz NJKASLNOTVAKLZ-UHFFFAOYSA-N -1 0 304.310 -0.680 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)NCc3nc([O-])cc(=O)[nH]3)nc2C1 ZINC001363036286 982089133 /nfs/dbraw/zinc/08/91/33/982089133.db2.gz GNVQGUIQVNTSGG-QMMMGPOBSA-N -1 0 319.321 -0.025 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccnn1[C@@H]1CCCOC1 ZINC001363042826 982092700 /nfs/dbraw/zinc/09/27/00/982092700.db2.gz WDTFVPVNQHOZEW-MRVPVSSYSA-N -1 0 308.298 -0.124 20 0 DBADRM COC(=O)c1cccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)n1 ZINC001363041366 982094293 /nfs/dbraw/zinc/09/42/93/982094293.db2.gz UPDGJWMRMNEISJ-UHFFFAOYSA-N -1 0 304.262 -0.001 20 0 DBADRM Cc1nn(CC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c(=O)o1 ZINC001363053037 982102564 /nfs/dbraw/zinc/10/25/64/982102564.db2.gz HONSGAOJDFQIEH-MRVPVSSYSA-N -1 0 308.298 -0.625 20 0 DBADRM Cc1nn(CC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c(=O)o1 ZINC001363053045 982104441 /nfs/dbraw/zinc/10/44/41/982104441.db2.gz HONSGAOJDFQIEH-QMMMGPOBSA-N -1 0 308.298 -0.625 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)O1 ZINC001363056152 982105572 /nfs/dbraw/zinc/10/55/72/982105572.db2.gz QCLJHEBDZCQJGQ-HRDYMLBCSA-N -1 0 309.326 -0.751 20 0 DBADRM C[C@H]1[C@@H](CO)CCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001363076401 982120187 /nfs/dbraw/zinc/12/01/87/982120187.db2.gz YNEWYBQZNXLQPI-DTWKUNHWSA-N -1 0 314.363 -0.118 20 0 DBADRM C[S@@](=O)C1(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CCC1 ZINC001363079100 982122128 /nfs/dbraw/zinc/12/21/28/982122128.db2.gz YWDYUTFIBGQOLF-OAQYLSRUSA-N -1 0 316.383 -0.113 20 0 DBADRM COC(=O)[C@@H](O)CCNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001363080145 982122688 /nfs/dbraw/zinc/12/26/88/982122688.db2.gz RBNXYPFHZZLWPX-JTQLQIEISA-N -1 0 321.289 -0.316 20 0 DBADRM O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363117789 982148793 /nfs/dbraw/zinc/14/87/93/982148793.db2.gz YTKYVARRMGNKMY-IUCAKERBSA-N -1 0 313.339 -0.952 20 0 DBADRM CCO[C@H](C(=O)N1CCOC[C@H]1c1nnn[n-]1)[C@H]1CCOC1 ZINC001363117436 982148978 /nfs/dbraw/zinc/14/89/78/982148978.db2.gz WZSTYTJDKPWHIL-DCAQKATOSA-N -1 0 311.342 -0.459 20 0 DBADRM O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363117788 982149620 /nfs/dbraw/zinc/14/96/20/982149620.db2.gz YTKYVARRMGNKMY-DTWKUNHWSA-N -1 0 313.339 -0.952 20 0 DBADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1C[C@H](O)[C@@H](CO)C1 ZINC001363119661 982152593 /nfs/dbraw/zinc/15/25/93/982152593.db2.gz OJUAYEPVIFAGCE-MNOVXSKESA-N -1 0 305.290 -0.545 20 0 DBADRM COC(=O)c1oc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1C ZINC001363125735 982154229 /nfs/dbraw/zinc/15/42/29/982154229.db2.gz AWPHAUNAMZFXKE-UHFFFAOYSA-N -1 0 310.266 -0.306 20 0 DBADRM CC1(C(N)=O)CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001363130608 982156949 /nfs/dbraw/zinc/15/69/49/982156949.db2.gz VRBCFUPJBHWFLW-UHFFFAOYSA-N -1 0 301.310 -0.978 20 0 DBADRM CN=[S@@](C)(=O)CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363131332 982157146 /nfs/dbraw/zinc/15/71/46/982157146.db2.gz OSFCLWKTZPYSJA-QFIPXVFZSA-N -1 0 323.382 -0.468 20 0 DBADRM NC(=O)[C@@H](O)CNC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001363134456 982159127 /nfs/dbraw/zinc/15/91/27/982159127.db2.gz MZDZDQDZJBFZLX-VIFPVBQESA-N -1 0 324.724 -0.193 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(C(=O)C2CCCC2)C1 ZINC001530845845 1014806690 /nfs/dbraw/zinc/80/66/90/1014806690.db2.gz SYPJDJPLWBUFLK-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM CCC(CC)(NC(=O)CS(=O)(=O)CCOC)c1nnn[n-]1 ZINC001363137599 982165460 /nfs/dbraw/zinc/16/54/60/982165460.db2.gz RYBKDVHOVPPQNK-UHFFFAOYSA-N -1 0 319.387 -0.608 20 0 DBADRM O=C(CCc1nnn[n-]1)NC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001363143754 982175038 /nfs/dbraw/zinc/17/50/38/982175038.db2.gz SFFUMQVLETWHJL-UHFFFAOYSA-N -1 0 318.341 -0.724 20 0 DBADRM CC[C@H]1CN(C(=O)CCc2nnn[n-]2)C[C@@H](C)S1(=O)=O ZINC001363170718 982194204 /nfs/dbraw/zinc/19/42/04/982194204.db2.gz BAWLYJKGVDUGFM-BDAKNGLRSA-N -1 0 301.372 -0.444 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC001363209888 982226527 /nfs/dbraw/zinc/22/65/27/982226527.db2.gz USJMIUUSAYCKMB-SKDRFNHKSA-N -1 0 308.342 -0.972 20 0 DBADRM NC(=O)COc1ccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cc1 ZINC001363222283 982235882 /nfs/dbraw/zinc/23/58/82/982235882.db2.gz ZHRSJNTZNXCMQH-SNVBAGLBSA-N -1 0 316.321 -0.307 20 0 DBADRM CCC[C@@H](O)[C@H](CO)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363243016 982256409 /nfs/dbraw/zinc/25/64/09/982256409.db2.gz AQMSWZQJVVGLET-NWDGAFQWSA-N -1 0 320.353 -0.673 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CC[C@@](CO)(COC)C1)C(=O)[O-] ZINC001594891744 982292152 /nfs/dbraw/zinc/29/21/52/982292152.db2.gz MJXYCYDFUFQAOV-CORIIIEPSA-N -1 0 316.398 -0.067 20 0 DBADRM CCn1cc(CC(=O)N[C@@H](CCSC)c2nnn[n-]2)nn1 ZINC001363278645 982300433 /nfs/dbraw/zinc/30/04/33/982300433.db2.gz FAMSSTWOPORKJN-VIFPVBQESA-N -1 0 310.387 -0.036 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@H](NC(=O)C1CC1)[C@H](C)O ZINC001363276374 982300939 /nfs/dbraw/zinc/30/09/39/982300939.db2.gz LOVGLBZTFGQEKV-JOYOIKCWSA-N -1 0 324.385 -0.540 20 0 DBADRM Cn1ccnc1[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC001363282978 982306270 /nfs/dbraw/zinc/30/62/70/982306270.db2.gz OKOFBZBBOFEXAG-JGVFFNPUSA-N -1 0 320.309 -0.334 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@H](O)C[C@@H]1C(=O)OC)C(=O)[O-] ZINC001594893734 982310428 /nfs/dbraw/zinc/31/04/28/982310428.db2.gz XDTOMZVCOGGCTK-XNDJQWLSSA-N -1 0 316.354 -0.790 20 0 DBADRM CO[C@H]1COCC[C@H]1N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363305638 982327205 /nfs/dbraw/zinc/32/72/05/982327205.db2.gz FOOQXHUAGKNFSW-ZJUUUORDSA-N -1 0 314.342 -0.268 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2ccc(Cl)c([O-])c2)C[C@H]1C(N)=O ZINC001363314859 982333932 /nfs/dbraw/zinc/33/39/32/982333932.db2.gz MGHLHDQSHQPWLD-OCAPTIKFSA-N -1 0 311.725 -0.296 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C(=O)O1 ZINC001363372989 982366640 /nfs/dbraw/zinc/36/66/40/982366640.db2.gz DYSVVWBKYZTQKL-XVKPBYJWSA-N -1 0 302.294 -0.491 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001363379595 982375438 /nfs/dbraw/zinc/37/54/38/982375438.db2.gz NMEYKRSIDRSBLL-SSDOTTSWSA-N -1 0 323.275 -0.168 20 0 DBADRM CN(C[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C(F)F ZINC001489706484 1014832477 /nfs/dbraw/zinc/83/24/77/1014832477.db2.gz QQYMPFULXUORFZ-ZCFIWIBFSA-N -1 0 319.268 -0.986 20 0 DBADRM CCNC(=O)C(C)(C)NC(=O)c1ccc(S(=O)(=O)NC)o1 ZINC001363388578 982381471 /nfs/dbraw/zinc/38/14/71/982381471.db2.gz DOLSDCWWUSDRLV-UHFFFAOYSA-N -1 0 317.367 -0.168 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CCc2nnnn2CC1 ZINC001363392424 982384944 /nfs/dbraw/zinc/38/49/44/982384944.db2.gz QKPFOUPRMOMAOY-LURJTMIESA-N -1 0 310.343 -0.890 20 0 DBADRM COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)CCCc1nnn[n-]1 ZINC001363393164 982384841 /nfs/dbraw/zinc/38/48/41/982384841.db2.gz RLXYGUQEYHVZKG-UWVGGRQHSA-N -1 0 311.342 -0.251 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001363397859 982389046 /nfs/dbraw/zinc/38/90/46/982389046.db2.gz IMAXCEWPSJDDMU-VIFPVBQESA-N -1 0 324.268 -0.493 20 0 DBADRM CN(Cc1nnc2n1CCN(C)C2=O)C(=O)c1cc(=O)n(C)[n-]1 ZINC001363401346 982389806 /nfs/dbraw/zinc/38/98/06/982389806.db2.gz KWUKWLUPBKQSTQ-UHFFFAOYSA-N -1 0 319.325 -0.925 20 0 DBADRM CN(C)c1cc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)ccn1 ZINC001363409283 982397322 /nfs/dbraw/zinc/39/73/22/982397322.db2.gz DHQFLBFAWFTGFU-SNVBAGLBSA-N -1 0 303.326 -0.126 20 0 DBADRM O=C([C@H]1CCCC12OCCO2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363409256 982397604 /nfs/dbraw/zinc/39/76/04/982397604.db2.gz BUTGSWFSTJALFE-NXEZZACHSA-N -1 0 309.326 -0.357 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(O[C@H]2CCOC2)CC1 ZINC001363413529 982399235 /nfs/dbraw/zinc/39/92/35/982399235.db2.gz IWKHAKVSRHMBKR-VIFPVBQESA-N -1 0 310.310 -0.307 20 0 DBADRM COC[C@H](NC(=O)CCC(=O)NC1CCCC1)c1nnn[n-]1 ZINC001363415027 982401560 /nfs/dbraw/zinc/40/15/60/982401560.db2.gz NDJXTJCSVWRSOZ-JTQLQIEISA-N -1 0 310.358 -0.158 20 0 DBADRM O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001363423213 982404693 /nfs/dbraw/zinc/40/46/93/982404693.db2.gz ZQWKNVWDRFUUEX-MRVPVSSYSA-N -1 0 310.310 -0.259 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)[C@@H](C)O ZINC001363426918 982407128 /nfs/dbraw/zinc/40/71/28/982407128.db2.gz UKFMXYYBRAFGFM-RNCFNFMXSA-N -1 0 313.354 -0.587 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CC[C@H](O)[C@@H](CO)C2)cc1=O ZINC001363447918 982420220 /nfs/dbraw/zinc/42/02/20/982420220.db2.gz IUKFUAYCAAHTLF-YPMHNXCESA-N -1 0 311.382 -0.423 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)COCC(=O)OC(C)(C)C ZINC001363448209 982420271 /nfs/dbraw/zinc/42/02/71/982420271.db2.gz AFNMGXXHZOAWOX-UHFFFAOYSA-N -1 0 301.299 -0.320 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC001363454759 982427368 /nfs/dbraw/zinc/42/73/68/982427368.db2.gz YBVJUDOPHGBDAW-QMMMGPOBSA-N -1 0 318.355 -0.865 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CCC[C@@H](O)C1 ZINC001363464453 982434640 /nfs/dbraw/zinc/43/46/40/982434640.db2.gz AVFLEVDRNPKYDI-LLVKDONJSA-N -1 0 304.306 -0.137 20 0 DBADRM CN(C(=O)CCc1ccc(S(N)(=O)=O)cc1)c1nnn[n-]1 ZINC001363487724 982449937 /nfs/dbraw/zinc/44/99/37/982449937.db2.gz DJNBHWURDPTMOK-UHFFFAOYSA-N -1 0 310.339 -0.557 20 0 DBADRM CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)c1nnn[n-]1 ZINC001363489643 982451705 /nfs/dbraw/zinc/45/17/05/982451705.db2.gz MGCLUPXPWYNXQU-SSDOTTSWSA-N -1 0 314.346 -0.173 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@@H](CO)[C@@H](O)C1CCCCC1 ZINC001363493233 982455223 /nfs/dbraw/zinc/45/52/23/982455223.db2.gz BZUDFOQAONXOPG-FZMZJTMJSA-N -1 0 311.386 -0.059 20 0 DBADRM COC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)CCCc1nnn[n-]1 ZINC001363503862 982466972 /nfs/dbraw/zinc/46/69/72/982466972.db2.gz LARRSSWIHYMGGS-NOZJJQNGSA-N -1 0 311.342 -0.299 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363512212 982475335 /nfs/dbraw/zinc/47/53/35/982475335.db2.gz KYXMEDBFCZGXBS-FXPVBKGRSA-N -1 0 303.326 -0.363 20 0 DBADRM O=C(c1cc2n(n1)CCCO2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363512397 982475470 /nfs/dbraw/zinc/47/54/70/982475470.db2.gz MYDSXENGXFTCMY-SECBINFHSA-N -1 0 305.298 -0.608 20 0 DBADRM C[C@H](O)c1ncc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)s1 ZINC001363511936 982475755 /nfs/dbraw/zinc/47/57/55/982475755.db2.gz KEQITBMBOVJRRS-NKWVEPMBSA-N -1 0 310.339 -0.077 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)[nH]1 ZINC001363513386 982477613 /nfs/dbraw/zinc/47/76/13/982477613.db2.gz QFNWHNKGMPQEPA-VIFPVBQESA-N -1 0 306.282 -0.472 20 0 DBADRM Cn1ncc(Br)c1CNC(=O)CCc1nnn[n-]1 ZINC001363517019 982479710 /nfs/dbraw/zinc/47/97/10/982479710.db2.gz XAWSHDRSUFZTAS-UHFFFAOYSA-N -1 0 314.147 -0.055 20 0 DBADRM COC(=O)[C@H](CCC1OCCO1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001363517288 982480318 /nfs/dbraw/zinc/48/03/18/982480318.db2.gz JBCNSEKPBLXZBQ-QMMMGPOBSA-N -1 0 313.310 -0.152 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CC[C@H](c3nnn[n-]3)C2)C[C@H]1C ZINC001363522751 982483161 /nfs/dbraw/zinc/48/31/61/982483161.db2.gz FXIZYUVTKIABSA-UTINFBMNSA-N -1 0 309.326 -0.518 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363522876 982483445 /nfs/dbraw/zinc/48/34/45/982483445.db2.gz GYGYHIGBZVZZQZ-JTQLQIEISA-N -1 0 308.342 -0.845 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363523026 982483531 /nfs/dbraw/zinc/48/35/31/982483531.db2.gz IDMHYAGATJHMSM-MRVPVSSYSA-N -1 0 316.387 -0.767 20 0 DBADRM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCOCN1 ZINC001363523307 982484964 /nfs/dbraw/zinc/48/49/64/982484964.db2.gz OTOMDSMOAQNTGA-UHFFFAOYSA-N -1 0 316.321 -0.189 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(C(=O)c2c[n-]ncc2=O)C1 ZINC001363561918 982512219 /nfs/dbraw/zinc/51/22/19/982512219.db2.gz WAHZVRUZZXDPLG-QMMMGPOBSA-N -1 0 300.340 -0.807 20 0 DBADRM CCn1nnc(C)c1CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363569701 982514440 /nfs/dbraw/zinc/51/44/40/982514440.db2.gz HUQBZZORGLWLRF-UHFFFAOYSA-N -1 0 309.330 -0.294 20 0 DBADRM COC[C@@H](NC(=O)CNC(=O)c1cccc(F)c1)c1nnn[n-]1 ZINC001363584574 982520819 /nfs/dbraw/zinc/52/08/19/982520819.db2.gz GDPJWEGKOWBJQX-SNVBAGLBSA-N -1 0 322.300 -0.428 20 0 DBADRM COC[C@H](NC(=O)Cc1ccc(C(=O)OC)nc1)c1nnn[n-]1 ZINC001363582344 982521052 /nfs/dbraw/zinc/52/10/52/982521052.db2.gz ACZKKNFKSUPZPT-JTQLQIEISA-N -1 0 320.309 -0.572 20 0 DBADRM NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001363582696 982521829 /nfs/dbraw/zinc/52/18/29/982521829.db2.gz KBRVSYUBWYVDLZ-ZJUUUORDSA-N -1 0 307.358 -0.476 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC(c2ccccn2)=NO1)c1nnn[n-]1 ZINC001363585152 982525010 /nfs/dbraw/zinc/52/50/10/982525010.db2.gz HIXLNLHRPFSEKH-QWRGUYRKSA-N -1 0 317.309 -0.408 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CCc2ncncc2C1)c1nnn[n-]1 ZINC001363591439 982528208 /nfs/dbraw/zinc/52/82/08/982528208.db2.gz TWCIMETZUNCTPE-LDYMZIIASA-N -1 0 303.326 -0.402 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCC(N2CCCOC2=O)CC1 ZINC001363649577 982552350 /nfs/dbraw/zinc/55/23/50/982552350.db2.gz HDQJBDVYPSSMQY-UHFFFAOYSA-N -1 0 308.342 -0.034 20 0 DBADRM C[C@H]1C[C@H](NC(=O)CCCc2nnn[n-]2)CCS1(=O)=O ZINC001363652486 982553438 /nfs/dbraw/zinc/55/34/38/982553438.db2.gz LHKXITOAAXSNHX-DTWKUNHWSA-N -1 0 301.372 -0.396 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@@H](C)c2nn(C)cc2[O-])nn1 ZINC001363656413 982556031 /nfs/dbraw/zinc/55/60/31/982556031.db2.gz ACLOBVMKPWZCNO-IUCAKERBSA-N -1 0 308.342 -0.021 20 0 DBADRM COC(=O)[C@@](C)(Cn1cccn1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001363657205 982556284 /nfs/dbraw/zinc/55/62/84/982556284.db2.gz IJYLBEJUORMWQR-CYBMUJFWSA-N -1 0 307.310 -0.018 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CC1CC1 ZINC001531348426 1014857662 /nfs/dbraw/zinc/85/76/62/1014857662.db2.gz IRWAIQRIOGPTCM-VIFPVBQESA-N -1 0 311.342 -0.500 20 0 DBADRM CN1C[C@@H](NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1=O ZINC001363683257 982571043 /nfs/dbraw/zinc/57/10/43/982571043.db2.gz CHWFEAOUURTBGY-VIFPVBQESA-N -1 0 317.305 -0.773 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)[C@H]2CCNC(=O)CC2)n[n-]1 ZINC001363710032 982581698 /nfs/dbraw/zinc/58/16/98/982581698.db2.gz SAHLNWGCBYCTCQ-ZCFIWIBFSA-N -1 0 301.328 -0.937 20 0 DBADRM Cc1n[nH]c(C(=O)NCCS(=O)(=O)N2CCCC2)c1[O-] ZINC001363725359 982590569 /nfs/dbraw/zinc/59/05/69/982590569.db2.gz BKLBKNZQFIPEEQ-UHFFFAOYSA-N -1 0 302.356 -0.421 20 0 DBADRM O=C([C@@H]1CCC2N=NC(=O)N2C1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363724923 982590880 /nfs/dbraw/zinc/59/08/80/982590880.db2.gz RPNQPDUGDPTHNT-HTQZYQBOSA-N -1 0 304.314 -0.925 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H](CC)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001531336935 1014855580 /nfs/dbraw/zinc/85/55/80/1014855580.db2.gz CNOVEMOLIQFHDI-NZGHECTNSA-N -1 0 309.326 -0.126 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C=C(C)C ZINC001531339884 1014855739 /nfs/dbraw/zinc/85/57/39/1014855739.db2.gz UPPPXKFAWAQITF-MRVPVSSYSA-N -1 0 309.326 -0.126 20 0 DBADRM CC(C)C(=O)N[C@H]1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001489836896 1014855841 /nfs/dbraw/zinc/85/58/41/1014855841.db2.gz KZNQRALKBCLKGJ-DTORHVGOSA-N -1 0 311.342 -0.644 20 0 DBADRM Nc1nc2nc(CN3CCO[C@@H]([C@H]4CCCO4)C3)cc(=O)n2[n-]1 ZINC001363793094 982639860 /nfs/dbraw/zinc/63/98/60/982639860.db2.gz JCPRSKCQIPUOPW-GHMZBOCLSA-N -1 0 320.353 -0.620 20 0 DBADRM Nc1nc2nc(CN3CCO[C@H]([C@H]4CCCO4)C3)cc(=O)n2[n-]1 ZINC001363793096 982639965 /nfs/dbraw/zinc/63/99/65/982639965.db2.gz JCPRSKCQIPUOPW-MNOVXSKESA-N -1 0 320.353 -0.620 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001363828935 982661653 /nfs/dbraw/zinc/66/16/53/982661653.db2.gz JNIZLUGJUHELDQ-UBJUHAIHSA-N -1 0 310.354 -0.422 20 0 DBADRM COCC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1cccnc1 ZINC001363827258 982662001 /nfs/dbraw/zinc/66/20/01/982662001.db2.gz GEGPZWRJPIEYHT-SNVBAGLBSA-N -1 0 307.310 -0.022 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@]1(O)CCOC1 ZINC001363837286 982668062 /nfs/dbraw/zinc/66/80/62/982668062.db2.gz JBDPVNODORFTLN-LLVKDONJSA-N -1 0 305.308 -0.504 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC001363840068 982669571 /nfs/dbraw/zinc/66/95/71/982669571.db2.gz NDTAFNUZIZEPRC-ZETCQYMHSA-N -1 0 309.727 -0.142 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001363894983 982702632 /nfs/dbraw/zinc/70/26/32/982702632.db2.gz OUYDFGSRWUPOFU-CSMHCCOUSA-N -1 0 300.340 -0.478 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1CC12CC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001531518554 1014869633 /nfs/dbraw/zinc/86/96/33/1014869633.db2.gz MXMOAWOCWYDKKZ-HTQZYQBOSA-N -1 0 321.337 -0.293 20 0 DBADRM COC(=O)C1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001363917059 982715790 /nfs/dbraw/zinc/71/57/90/982715790.db2.gz DEIDZRCVBBAODE-UHFFFAOYSA-N -1 0 302.294 -0.680 20 0 DBADRM CN1C(=O)Cc2cc(CNC(=O)Cn3c(=O)[n-][nH]c3=O)ccc21 ZINC001363915828 982718112 /nfs/dbraw/zinc/71/81/12/982718112.db2.gz DQLMMMDDAWYXKK-UHFFFAOYSA-N -1 0 317.305 -0.475 20 0 DBADRM C[C@](CNC(=O)C1CC1)(NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001531744404 1014874918 /nfs/dbraw/zinc/87/49/18/1014874918.db2.gz AWGICHXKWHRQRV-CQSZACIVSA-N -1 0 321.337 -0.293 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1C(=O)OCC1(C)C ZINC001363947964 982741529 /nfs/dbraw/zinc/74/15/29/982741529.db2.gz ZUCOGINHAJPGGA-MDTSDYNXSA-N -1 0 313.401 -0.653 20 0 DBADRM COC(=O)C1CC2(C1)C[C@@H](NC(=O)CCc1nnn[n-]1)CCO2 ZINC001363962277 982751060 /nfs/dbraw/zinc/75/10/60/982751060.db2.gz WRZVNQKMNUNJHZ-XIRUVYRFSA-N -1 0 323.353 -0.251 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@]1(O)CCO[C@H]1C ZINC001363971154 982757894 /nfs/dbraw/zinc/75/78/94/982757894.db2.gz RKGKCWIOQILNHL-UWVGGRQHSA-N -1 0 314.429 -0.132 20 0 DBADRM COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001363973448 982759123 /nfs/dbraw/zinc/75/91/23/982759123.db2.gz LEMPMAKHMOXQOI-SECBINFHSA-N -1 0 303.340 -0.656 20 0 DBADRM COC[C@](C)(O)C[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001363987543 982768686 /nfs/dbraw/zinc/76/86/86/982768686.db2.gz XVUNJCQTSJOHLA-LLVKDONJSA-N -1 0 307.324 -0.258 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NN1C[C@@H]2CCC[C@H]2C1 ZINC001363991299 982769451 /nfs/dbraw/zinc/76/94/51/982769451.db2.gz DLZGUUPSJFZMSO-UWVGGRQHSA-N -1 0 302.338 -0.166 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]Cc1n[nH]c(C(F)(F)F)n1 ZINC001363997446 982774440 /nfs/dbraw/zinc/77/44/40/982774440.db2.gz ZQAOIMHGPUOBDB-UHFFFAOYSA-N -1 0 321.306 -0.115 20 0 DBADRM COC[C@@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)c1nnn[n-]1 ZINC001364021253 982790554 /nfs/dbraw/zinc/79/05/54/982790554.db2.gz FECFHKMENLWLPR-DTWKUNHWSA-N -1 0 312.374 -0.056 20 0 DBADRM O=C1CCCN1[N-]S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 ZINC001364027319 982794504 /nfs/dbraw/zinc/79/45/04/982794504.db2.gz UXDYQNQNTCJRDE-UHFFFAOYSA-N -1 0 308.319 -0.261 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001364032918 982801087 /nfs/dbraw/zinc/80/10/87/982801087.db2.gz ONOKHABMSMVVEW-VIFPVBQESA-N -1 0 313.383 -0.442 20 0 DBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]N2CCCC2=O)c1 ZINC001364031249 982801229 /nfs/dbraw/zinc/80/12/29/982801229.db2.gz SHXVXIDJMDIMKH-UHFFFAOYSA-N -1 0 318.376 -0.094 20 0 DBADRM CC1(C)CNC(=O)[C@H]1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001364041238 982803372 /nfs/dbraw/zinc/80/33/72/982803372.db2.gz UIJGLYODUVMVOO-MRVPVSSYSA-N -1 0 309.413 -0.393 20 0 DBADRM COC(=O)c1cccc(CS(=O)(=O)[N-]c2nnn(C)n2)c1 ZINC001364039086 982803404 /nfs/dbraw/zinc/80/34/04/982803404.db2.gz GRJMNSRVZQZXAF-UHFFFAOYSA-N -1 0 311.323 -0.061 20 0 DBADRM CC1(C)CNC(=O)[C@@H]1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001364041240 982804070 /nfs/dbraw/zinc/80/40/70/982804070.db2.gz UIJGLYODUVMVOO-QMMMGPOBSA-N -1 0 309.413 -0.393 20 0 DBADRM O=c1[nH]c(CNS(=O)(=O)[C@@H]2CCOC2)nc2c1COCC2 ZINC001364043536 982805284 /nfs/dbraw/zinc/80/52/84/982805284.db2.gz PZMQJDLMJBKJIB-MRVPVSSYSA-N -1 0 315.351 -0.537 20 0 DBADRM NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC001364051904 982807767 /nfs/dbraw/zinc/80/77/67/982807767.db2.gz ZMTCQHJNWMYZDE-SECBINFHSA-N -1 0 308.342 -0.935 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2ccc3c(c2)OCC(=O)N3)n1 ZINC001364049666 982808487 /nfs/dbraw/zinc/80/84/87/982808487.db2.gz WSMHXTKAIDBJLQ-UHFFFAOYSA-N -1 0 310.295 -0.658 20 0 DBADRM COC(=O)c1cn(C2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)nn1 ZINC001364062386 982813629 /nfs/dbraw/zinc/81/36/29/982813629.db2.gz LXOYKIDPCGMAKJ-UHFFFAOYSA-N -1 0 321.297 -0.634 20 0 DBADRM CC[C@H](CS(=O)(=O)N[C@](C)(Cn1cccn1)C(N)=O)OC ZINC001364077798 982819288 /nfs/dbraw/zinc/81/92/88/982819288.db2.gz XMPBNDXWNPIWQJ-ZYHUDNBSSA-N -1 0 318.399 -0.529 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@@H](CCSC)c1nnn[n-]1 ZINC001364086058 982822357 /nfs/dbraw/zinc/82/23/57/982822357.db2.gz IJIOUTYAOWEWTG-QMMMGPOBSA-N -1 0 316.387 -0.785 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)c1coc(CS(C)(=O)=O)n1 ZINC001364106470 982829096 /nfs/dbraw/zinc/82/90/96/982829096.db2.gz UQGXHQPTDXGUQE-UHFFFAOYSA-N -1 0 316.295 -0.420 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H](O)Cc1ccccc1F ZINC001364121294 982834771 /nfs/dbraw/zinc/83/47/71/982834771.db2.gz BGCUSPGXIOKYPO-SNVBAGLBSA-N -1 0 308.317 -0.021 20 0 DBADRM COC(=O)C(F)(F)C[N-]S(=O)(=O)C1(C(=O)OC)CCC1 ZINC001364128626 982835147 /nfs/dbraw/zinc/83/51/47/982835147.db2.gz PBWKXFHBGRNCGX-UHFFFAOYSA-N -1 0 315.294 -0.190 20 0 DBADRM Cn1nnc(NC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)n1 ZINC001364149943 982841144 /nfs/dbraw/zinc/84/11/44/982841144.db2.gz FILUWNZYWBCXEW-UHFFFAOYSA-N -1 0 307.236 -0.648 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC2(CCOCC2)CC[C@H]1CO ZINC001364189281 982851171 /nfs/dbraw/zinc/85/11/71/982851171.db2.gz IZHNWSHRCJEXAQ-VIFPVBQESA-N -1 0 324.337 -0.324 20 0 DBADRM O=C(NCc1nc([O-])cc(=O)[nH]1)c1cc2n(n1)CCC[C@H]2O ZINC001364207733 982855892 /nfs/dbraw/zinc/85/58/92/982855892.db2.gz RJUBOXMFVBBJSP-SECBINFHSA-N -1 0 305.294 -0.159 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC2(CC1)C[C@H](O)CCO2 ZINC001364221334 982861622 /nfs/dbraw/zinc/86/16/22/982861622.db2.gz PMFMPIOBUAFSDQ-SECBINFHSA-N -1 0 312.326 -0.778 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nn1ccc(=O)[nH]c1=O ZINC001364249818 982870274 /nfs/dbraw/zinc/87/02/74/982870274.db2.gz RSXLFQDSFAXQCF-UHFFFAOYSA-N -1 0 308.216 -0.524 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1Cc2nc(C)[nH]c(=O)c2C1 ZINC001364263151 982874226 /nfs/dbraw/zinc/87/42/26/982874226.db2.gz SMMVZMKPJZTYGC-UHFFFAOYSA-N -1 0 314.367 -0.386 20 0 DBADRM C[C@]1(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCNC1=O ZINC001364297730 982891273 /nfs/dbraw/zinc/89/12/73/982891273.db2.gz YZLBJMNBVNZULG-ZDUSSCGKSA-N -1 0 303.278 -0.556 20 0 DBADRM CSCC[C@H](NC(=O)Nc1nccn(C)c1=O)c1nn[n-]n1 ZINC001364321526 982901230 /nfs/dbraw/zinc/90/12/30/982901230.db2.gz HGACIIXQXALEGU-ZETCQYMHSA-N -1 0 324.370 -0.091 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC000926582098 982911014 /nfs/dbraw/zinc/91/10/14/982911014.db2.gz FTLVSZHHPSWRQI-NSHDSACASA-N -1 0 308.400 -0.309 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000926604845 982914402 /nfs/dbraw/zinc/91/44/02/982914402.db2.gz IZCXSQNQVOJNCX-LNLATYFQSA-N -1 0 304.368 -0.268 20 0 DBADRM CCc1c[nH]c(CC(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001490208379 1014891801 /nfs/dbraw/zinc/89/18/01/1014891801.db2.gz HYFUJYMEYAHSBU-UHFFFAOYSA-N -1 0 321.385 -0.023 20 0 DBADRM Cn1nncc1NC(=O)N1CCC(n2c(=O)[n-][nH]c2=O)CC1 ZINC001364341637 982920006 /nfs/dbraw/zinc/92/00/06/982920006.db2.gz YVLRHFNBEDEFQY-UHFFFAOYSA-N -1 0 308.302 -0.313 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCOC[C@@H]1CC1CC1 ZINC000927948577 982919996 /nfs/dbraw/zinc/91/99/96/982919996.db2.gz REQSIIJILVTYFU-SRVKXCTJSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC[C@@H]2C[C@H]2C2CC2)CCO1 ZINC000927949572 982920407 /nfs/dbraw/zinc/92/04/07/982920407.db2.gz IAJLRVFKFSRINB-GRYCIOLGSA-N -1 0 310.350 -0.149 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2c[n-]ncc2=O)C1 ZINC001364356586 982933023 /nfs/dbraw/zinc/93/30/23/982933023.db2.gz QZYLJKKQAYOHKF-VIFPVBQESA-N -1 0 314.367 -0.416 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC1(S(=O)(=O)CC)CC1 ZINC001364368568 982943634 /nfs/dbraw/zinc/94/36/34/982943634.db2.gz MHUWHYJJCXFWJB-UHFFFAOYSA-N -1 0 302.360 -0.796 20 0 DBADRM Cn1ccnc1COCC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001364382520 982950595 /nfs/dbraw/zinc/95/05/95/982950595.db2.gz GOYSWTDAOXYWKT-SECBINFHSA-N -1 0 307.314 -0.950 20 0 DBADRM O=C(Cn1ccc(C(F)F)n1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001364382476 982951139 /nfs/dbraw/zinc/95/11/39/982951139.db2.gz FFFLIHUJOMQLDM-QMMMGPOBSA-N -1 0 313.268 -0.066 20 0 DBADRM Cc1cc(COCC(=O)N2CCOC[C@H]2c2nnn[n-]2)no1 ZINC001364382873 982954147 /nfs/dbraw/zinc/95/41/47/982954147.db2.gz LCVYMLOXWCYOEB-JTQLQIEISA-N -1 0 308.298 -0.387 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCCCCCNC(=O)CC1 ZINC001364416069 982968501 /nfs/dbraw/zinc/96/85/01/982968501.db2.gz ZBOKOQOSMWJRBU-UHFFFAOYSA-N -1 0 309.326 -0.195 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@@H](CO)[C@H](O)c1cccnc1 ZINC001364442153 982991490 /nfs/dbraw/zinc/99/14/90/982991490.db2.gz BMCWJRKGEIZBIJ-GXFFZTMASA-N -1 0 306.326 -0.872 20 0 DBADRM O=C(NC[C@@]1(CO)COCCN1)c1ccc2oc(=O)nc-2[n-]1 ZINC001364471304 983012309 /nfs/dbraw/zinc/01/23/09/983012309.db2.gz IFVKPOUJRJWWDM-CYBMUJFWSA-N -1 0 308.294 -0.991 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001364504413 983025811 /nfs/dbraw/zinc/02/58/11/983025811.db2.gz HLEBYUTZZMUOKH-NSHDSACASA-N -1 0 300.340 -0.449 20 0 DBADRM COC(=O)[C@H](Cn1ccnc1)NC(=O)CCCc1nnn[n-]1 ZINC001364508334 983028653 /nfs/dbraw/zinc/02/86/53/983028653.db2.gz XPBLPTDQOKGQDD-VIFPVBQESA-N -1 0 307.314 -0.923 20 0 DBADRM O=C([C@@H]1CCc2nnnn2CC1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001364569858 983056308 /nfs/dbraw/zinc/05/63/08/983056308.db2.gz XXGLUQRNNRYURZ-BDAKNGLRSA-N -1 0 303.330 -0.845 20 0 DBADRM COCCn1cc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)c(C)n1 ZINC001364569926 983056674 /nfs/dbraw/zinc/05/66/74/983056674.db2.gz YKBBOZMXZDOBCW-SNVBAGLBSA-N -1 0 305.342 -0.019 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001364569327 983057387 /nfs/dbraw/zinc/05/73/87/983057387.db2.gz TZTSCXBSMNWJER-RKDXNWHRSA-N -1 0 316.387 -0.911 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC001364602582 983066264 /nfs/dbraw/zinc/06/62/64/983066264.db2.gz GQMWWRUAJCFPEG-QMMMGPOBSA-N -1 0 311.367 -0.271 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@@]12CCOC2)Cc1n[nH]c(=O)[n-]1 ZINC001490268127 1014912205 /nfs/dbraw/zinc/91/22/05/1014912205.db2.gz HXPYBQRUFHLFIN-QMTHXVAHSA-N -1 0 309.370 -0.125 20 0 DBADRM CCOC(=O)c1n[nH]c(CN[C@@H]2CCCS(=O)(=O)C2)n1 ZINC001364748110 983119425 /nfs/dbraw/zinc/11/94/25/983119425.db2.gz VBWDAPRRKRHELK-MRVPVSSYSA-N -1 0 302.356 -0.352 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001364763686 983123449 /nfs/dbraw/zinc/12/34/49/983123449.db2.gz WGYKIZVZLRAYLG-VIFPVBQESA-N -1 0 305.381 -0.250 20 0 DBADRM CC(C)OC(=O)C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001364770096 983126581 /nfs/dbraw/zinc/12/65/81/983126581.db2.gz VCJFEISJSSQUJH-KRWDZBQOSA-N -1 0 301.390 -0.653 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1nc(C2CC2)no1 ZINC001364793539 983137312 /nfs/dbraw/zinc/13/73/12/983137312.db2.gz FFNDPQVIHUNCAG-LJQANCHMSA-N -1 0 323.400 -0.144 20 0 DBADRM C[C@H](NS(=O)(=O)N=S(C)(C)=O)c1nnc2n1CCC2 ZINC001364797569 983139619 /nfs/dbraw/zinc/13/96/19/983139619.db2.gz SKAYHBWNFGHCPK-ZETCQYMHSA-N -1 0 307.401 -0.153 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCc2nnc(C)n2C)n[nH]1 ZINC001364798708 983139696 /nfs/dbraw/zinc/13/96/96/983139696.db2.gz SYVLLKUMPVNAFT-UHFFFAOYSA-N -1 0 314.327 -0.888 20 0 DBADRM COC[C@H](NS(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1)C(N)=O ZINC001364796464 983139709 /nfs/dbraw/zinc/13/97/09/983139709.db2.gz GAJZVTFTGDKDLZ-VWYCJHECSA-N -1 0 306.384 -0.636 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)c1cc(C(=O)OC)[nH]n1)C(=O)OC ZINC001364798722 983140307 /nfs/dbraw/zinc/14/03/07/983140307.db2.gz SZTUMIOPXIUDTQ-LLVKDONJSA-N -1 0 319.339 -0.184 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCc1cnc2n1CCC2 ZINC001364800189 983142006 /nfs/dbraw/zinc/14/20/06/983142006.db2.gz DAXGNDWVLYKDDO-UHFFFAOYSA-N -1 0 306.326 -0.071 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1cc(F)ccc1OC ZINC001364811259 983145926 /nfs/dbraw/zinc/14/59/26/983145926.db2.gz XFIKPZCOWFNWNS-SNVBAGLBSA-N -1 0 321.326 -0.212 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@H](C(N)=O)c1ccc(F)cc1 ZINC001364811484 983146203 /nfs/dbraw/zinc/14/62/03/983146203.db2.gz AKPHMVYHZOJKRT-VIFPVBQESA-N -1 0 323.371 -0.086 20 0 DBADRM COC[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)c1nnn[n-]1 ZINC001364815022 983148257 /nfs/dbraw/zinc/14/82/57/983148257.db2.gz OXPYQPYBKMEZOS-ZCFIWIBFSA-N -1 0 319.247 -0.081 20 0 DBADRM COC[C@@H](NC(=O)Cn1c(C)c(C)sc1=O)c1nnn[n-]1 ZINC001364813169 983148311 /nfs/dbraw/zinc/14/83/11/983148311.db2.gz HSUJPWVNTYHUPK-MRVPVSSYSA-N -1 0 312.355 -0.456 20 0 DBADRM COCCn1ncc(C(=O)N[C@H](COC)c2nnn[n-]2)c1C ZINC001364814019 983149110 /nfs/dbraw/zinc/14/91/10/983149110.db2.gz KKGXAKLNOCOQTH-SNVBAGLBSA-N -1 0 309.330 -0.531 20 0 DBADRM COC[C@@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)c1nnn[n-]1 ZINC001364813721 983150032 /nfs/dbraw/zinc/15/00/32/983150032.db2.gz JYFYQWUHZSTWCF-SECBINFHSA-N -1 0 307.314 -0.641 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)c1ccoc1C)c1nnn[n-]1 ZINC001364814165 983150626 /nfs/dbraw/zinc/15/06/26/983150626.db2.gz MGNIELHUIFNGHF-VIFPVBQESA-N -1 0 308.298 -0.665 20 0 DBADRM COC[C@H](NC(=O)c1ccn(CC(F)F)n1)c1nnn[n-]1 ZINC001364816362 983151388 /nfs/dbraw/zinc/15/13/88/983151388.db2.gz UNNSROUZYJGHEV-ZETCQYMHSA-N -1 0 301.257 -0.221 20 0 DBADRM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)c1nnn[n-]1)C2=O ZINC001532480261 1014918381 /nfs/dbraw/zinc/91/83/81/1014918381.db2.gz AVXZYWMAYIQELL-AMIZOPFISA-N -1 0 321.341 -0.337 20 0 DBADRM C[C@H](NCC1=Nc2ccccc2S(=O)(=O)[N-]1)c1nnnn1C ZINC001364836510 983164751 /nfs/dbraw/zinc/16/47/51/983164751.db2.gz KFYLJMSNIWWVHI-QMMMGPOBSA-N -1 0 321.366 -0.117 20 0 DBADRM CNC(=O)[C@H](O)CNS(=O)(=O)c1cccc(Cl)c1[O-] ZINC001364845222 983166201 /nfs/dbraw/zinc/16/62/01/983166201.db2.gz SDBCSIPQIIPCRP-SSDOTTSWSA-N -1 0 308.743 -0.569 20 0 DBADRM COc1ncc(S(=O)(=O)NCCc2nc(=O)o[n-]2)s1 ZINC001364857362 983172261 /nfs/dbraw/zinc/17/22/61/983172261.db2.gz YVGNGOXRFDXGQZ-UHFFFAOYSA-N -1 0 306.325 -0.651 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@@](C)(CO)OC ZINC001364870899 983178407 /nfs/dbraw/zinc/17/84/07/983178407.db2.gz VACIURHXSVXFFT-NSHDSACASA-N -1 0 307.324 -0.258 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)NCc1nc(=O)o[n-]1 ZINC001364874527 983179799 /nfs/dbraw/zinc/17/97/99/983179799.db2.gz CHPNVBOLNHOKDI-UHFFFAOYSA-N -1 0 304.353 -0.210 20 0 DBADRM O=c1[nH]c2cc(F)c(S(=O)(=O)N[C@H]3CCOC3=O)cc2o1 ZINC001364886701 983185709 /nfs/dbraw/zinc/18/57/09/983185709.db2.gz MJWHOXMEVTVOHY-LURJTMIESA-N -1 0 316.266 -0.146 20 0 DBADRM O=S(=O)(CCNS(=O)(=O)c1ncc[n-]1)CC(F)(F)F ZINC001364901365 983191788 /nfs/dbraw/zinc/19/17/88/983191788.db2.gz CFFCVTAOKODXOF-UHFFFAOYSA-N -1 0 321.302 -0.335 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H]1C(=O)NCC1(C)C ZINC001364912997 983196170 /nfs/dbraw/zinc/19/61/70/983196170.db2.gz IJQULDHBIUQKNO-MRVPVSSYSA-N -1 0 316.335 -0.131 20 0 DBADRM O=c1cc([C@H]2CCN(S(=O)(=O)c3ncc[n-]3)C2)[nH]c(=O)[nH]1 ZINC001364921197 983199408 /nfs/dbraw/zinc/19/94/08/983199408.db2.gz ATPFZHIIFJJMPT-ZETCQYMHSA-N -1 0 311.323 -0.211 20 0 DBADRM O=C1OCCN1CCS(=O)(=O)[N-][C@H](CCO)C(F)(F)F ZINC001364933056 983204031 /nfs/dbraw/zinc/20/40/31/983204031.db2.gz CLXNIDGNVPXKSV-SSDOTTSWSA-N -1 0 320.289 -0.329 20 0 DBADRM Cc1nn2cccnc2c1S(=O)(=O)NCCN1CCNC1=O ZINC001364933025 983204292 /nfs/dbraw/zinc/20/42/92/983204292.db2.gz BLEMQBUAZBDIKE-UHFFFAOYSA-N -1 0 324.366 -0.659 20 0 DBADRM O=C(CC[C@H]1CCOC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001364935631 983205916 /nfs/dbraw/zinc/20/59/16/983205916.db2.gz IJKIBLBQHTVWNE-NSHDSACASA-N -1 0 309.370 -0.029 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)[C@@H](C)O ZINC001364959559 983212534 /nfs/dbraw/zinc/21/25/34/983212534.db2.gz HYXWNGBEGUQASO-MXWKQRLJSA-N -1 0 311.400 -0.111 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCO[C@H](c2nccn2C)C1 ZINC001365055948 983244784 /nfs/dbraw/zinc/24/47/84/983244784.db2.gz GEIFTQACIWQUJD-ZJUUUORDSA-N -1 0 320.357 -0.110 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(CO)(C(F)(F)F)CC1 ZINC001365063536 983246505 /nfs/dbraw/zinc/24/65/05/983246505.db2.gz SFSVMAZZUMZNCC-UHFFFAOYSA-N -1 0 324.259 -0.147 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)c1cc(F)c([O-])c(F)c1 ZINC001365065386 983247571 /nfs/dbraw/zinc/24/75/71/983247571.db2.gz OZYFIOBDUQEVOV-ZETCQYMHSA-N -1 0 309.290 -0.194 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C1CC1 ZINC001365134013 983271150 /nfs/dbraw/zinc/27/11/50/983271150.db2.gz HXMXLKKJDVTSFH-DCXZOGHSSA-N -1 0 313.401 -0.653 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(CS(C)(=O)=O)CC1 ZINC001365200270 983294510 /nfs/dbraw/zinc/29/45/10/983294510.db2.gz ACDOSSJUWSGKRW-UHFFFAOYSA-N -1 0 316.387 -0.597 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC001365200605 983294557 /nfs/dbraw/zinc/29/45/57/983294557.db2.gz CBVFKMDWAQIVHW-BDAKNGLRSA-N -1 0 314.371 -0.702 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC001365203685 983296148 /nfs/dbraw/zinc/29/61/48/983296148.db2.gz YVXVRJXNMVTOPK-SECBINFHSA-N -1 0 312.330 -0.842 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1 ZINC001365201534 983296317 /nfs/dbraw/zinc/29/63/17/983296317.db2.gz PSALIWLTIFUYMX-GBIKHYSHSA-N -1 0 310.358 -0.037 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@H](OC(=O)N(C)C)C1 ZINC001365203132 983296593 /nfs/dbraw/zinc/29/65/93/983296593.db2.gz TXRVLTCSTGVPFC-VIFPVBQESA-N -1 0 311.346 -0.191 20 0 DBADRM COC(=O)c1c(NC(=O)c2cn(C)cn2)n[n-]c1OCCO ZINC001365204938 983298194 /nfs/dbraw/zinc/29/81/94/983298194.db2.gz NQTVLDBNVGCUJJ-UHFFFAOYSA-N -1 0 309.282 -0.447 20 0 DBADRM O=C(NCc1nc2c(c(=O)[nH]1)COCC2)N[C@@H]1CC12CC(O)C2 ZINC001365244825 983309174 /nfs/dbraw/zinc/30/91/74/983309174.db2.gz YYLWCMJTAXMHQT-PZRTYGLHSA-N -1 0 320.349 -0.033 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)[N-][C@H](COC)C(=O)OC)CCC1 ZINC001365384710 983358918 /nfs/dbraw/zinc/35/89/18/983358918.db2.gz VWPUCAZTRXKLQJ-SECBINFHSA-N -1 0 323.367 -0.420 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)OC)n[nH]1 ZINC001365390968 983360969 /nfs/dbraw/zinc/36/09/69/983360969.db2.gz VIJRRDOWYWNOKT-QMMMGPOBSA-N -1 0 317.323 -0.478 20 0 DBADRM COC[C@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC001365414275 983371215 /nfs/dbraw/zinc/37/12/15/983371215.db2.gz YYMLOKXXJIFOQJ-APBUJDDRSA-N -1 0 322.408 -0.015 20 0 DBADRM O=c1nc(CNS(=O)(=O)c2ccnn2CC2CCC2)[n-]o1 ZINC001365413355 983372422 /nfs/dbraw/zinc/37/24/22/983372422.db2.gz NCUQUOBEQAUOFJ-UHFFFAOYSA-N -1 0 313.339 -0.162 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365424373 983377862 /nfs/dbraw/zinc/37/78/62/983377862.db2.gz KJKLPESQBFAOKI-WDEREUQCSA-N -1 0 324.385 -0.270 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1)[C@@H](C)O ZINC001365458684 983394686 /nfs/dbraw/zinc/39/46/86/983394686.db2.gz HKNSISQBRIEZSC-QTKMDUPCSA-N -1 0 321.395 -0.214 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@]1(C)CCNC1=O ZINC001365463103 983397277 /nfs/dbraw/zinc/39/72/77/983397277.db2.gz UNNKVQLVGUATKI-YPMLDQLKSA-N -1 0 311.429 -0.004 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)[N-]S(=O)(=O)Cc1ccon1 ZINC001365475174 983400485 /nfs/dbraw/zinc/40/04/85/983400485.db2.gz LBNWSTWHNZFAFN-SECBINFHSA-N -1 0 320.323 -0.601 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC001365500386 983404022 /nfs/dbraw/zinc/40/40/22/983404022.db2.gz MAPWTHTWLXCLJX-TVQRCGJNSA-N -1 0 324.341 -0.842 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001365501582 983404579 /nfs/dbraw/zinc/40/45/79/983404579.db2.gz WKWDXSCBLSOBDF-SECBINFHSA-N -1 0 309.374 -0.117 20 0 DBADRM Cn1ncc(CNC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC001365592490 983434815 /nfs/dbraw/zinc/43/48/15/983434815.db2.gz KICNXSAPWDRGKD-QMMMGPOBSA-N -1 0 306.330 -0.272 20 0 DBADRM O=C(NC[C@@H]1CCCNC1=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365642865 983453053 /nfs/dbraw/zinc/45/30/53/983453053.db2.gz ZBWIBXYTNPRECL-UWVGGRQHSA-N -1 0 322.369 -0.075 20 0 DBADRM O=C(NC[C@@H]1CNC(=O)C1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365646289 983455814 /nfs/dbraw/zinc/45/58/14/983455814.db2.gz OYKMWOKQCZCTRD-IUCAKERBSA-N -1 0 308.342 -0.465 20 0 DBADRM CCCn1nnnc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001596126119 983464694 /nfs/dbraw/zinc/46/46/94/983464694.db2.gz WOKJZUNVZRWSIC-NAKRPEOUSA-N -1 0 322.369 -0.459 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](CF)C(=O)OC ZINC001365710936 983494070 /nfs/dbraw/zinc/49/40/70/983494070.db2.gz ZONCBPMUWXNNFY-SSDOTTSWSA-N -1 0 304.365 -0.160 20 0 DBADRM CN1CCN(S(=O)(=O)NCc2nc(C(F)F)no2)CC1 ZINC001365715067 983495432 /nfs/dbraw/zinc/49/54/32/983495432.db2.gz HAVMJTTYYUTCCC-UHFFFAOYSA-N -1 0 311.314 -0.411 20 0 DBADRM Cc1nn(CCS(=O)(=O)N[C@@H]2C(=O)OCC2(C)C)c(=O)o1 ZINC001365713761 983496385 /nfs/dbraw/zinc/49/63/85/983496385.db2.gz YDMMEMDILZPPDU-MRVPVSSYSA-N -1 0 319.339 -0.984 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)N2CC[C@H](O)[C@@H](CO)C2)c1 ZINC001365715206 983496648 /nfs/dbraw/zinc/49/66/48/983496648.db2.gz MDTDKKKTFGQSIW-KOLCDFICSA-N -1 0 317.363 -0.235 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@H]1CN(C2CC2)C(=O)O1 ZINC001365718146 983498132 /nfs/dbraw/zinc/49/81/32/983498132.db2.gz OOKNCANCPCCPMQ-QMMMGPOBSA-N -1 0 311.385 -0.468 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]Cc1n[nH]c([C@H]2CCOC2)n1 ZINC001365726512 983504860 /nfs/dbraw/zinc/50/48/60/983504860.db2.gz GYPOIJMPLYCGJR-ZETCQYMHSA-N -1 0 323.400 -0.629 20 0 DBADRM CCCNS(=O)(=O)N[C@H]1CCN(c2nc(C)cc(=O)[nH]2)C1 ZINC001365736802 983512489 /nfs/dbraw/zinc/51/24/89/983512489.db2.gz HISYWDCBOCCAGA-JTQLQIEISA-N -1 0 315.399 -0.097 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CC(c2[nH]nc3c2COCC3)C1 ZINC001365749343 983521206 /nfs/dbraw/zinc/52/12/06/983521206.db2.gz KYHJFPDNLXDUSF-UHFFFAOYSA-N -1 0 309.351 -0.006 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC001365821778 983544217 /nfs/dbraw/zinc/54/42/17/983544217.db2.gz LNLVBCJPMKMEQU-JTQLQIEISA-N -1 0 302.342 -0.090 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001365974053 983627409 /nfs/dbraw/zinc/62/74/09/983627409.db2.gz ONYOGQQNYRVDFB-WDEREUQCSA-N -1 0 319.365 -0.252 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](NCc2cn(C)nn2)C2CC2)c1[O-] ZINC001366031758 983661863 /nfs/dbraw/zinc/66/18/63/983661863.db2.gz KPJHJGFFIQJYOV-LLVKDONJSA-N -1 0 319.369 -0.150 20 0 DBADRM CO[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)C1CCC1 ZINC001366117143 983704278 /nfs/dbraw/zinc/70/42/78/983704278.db2.gz AFFWBCTVNDBBGM-GVXVVHGQSA-N -1 0 323.397 -0.340 20 0 DBADRM COC[C@@H](C)[C@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001366238023 983750335 /nfs/dbraw/zinc/75/03/35/983750335.db2.gz LJALBHARWIAXCS-OQEOFVATSA-N -1 0 323.397 -0.025 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001366669745 983898304 /nfs/dbraw/zinc/89/83/04/983898304.db2.gz XODPXYVGNAWUSW-JTQLQIEISA-N -1 0 324.385 -0.494 20 0 DBADRM Cc1ccnn1CC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001366676453 983900002 /nfs/dbraw/zinc/90/00/02/983900002.db2.gz ZWMVLHMBVGMUQJ-LLVKDONJSA-N -1 0 319.369 -0.204 20 0 DBADRM O=C(C[C@H]1CCC(=O)N1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366696403 983920783 /nfs/dbraw/zinc/92/07/83/983920783.db2.gz LZKXUOMSAGJCIG-NXEZZACHSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@]1(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCOC1 ZINC001366701287 983924890 /nfs/dbraw/zinc/92/48/90/983924890.db2.gz XXRDOZPFSCNBSB-YGRLFVJLSA-N -1 0 309.370 -0.125 20 0 DBADRM Cc1ccnn1CC(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366699149 983926563 /nfs/dbraw/zinc/92/65/63/983926563.db2.gz PUKPFEYPTRKVAC-LLVKDONJSA-N -1 0 319.369 -0.346 20 0 DBADRM Cn1cc(CC(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)cn1 ZINC001366731145 983952625 /nfs/dbraw/zinc/95/26/25/983952625.db2.gz IDNFBPGLDYFZSD-UHFFFAOYSA-N -1 0 319.369 -0.433 20 0 DBADRM C[C@H](F)CCN1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001366929968 984066031 /nfs/dbraw/zinc/06/60/31/984066031.db2.gz GVRACUSLNBVJSA-QMMMGPOBSA-N -1 0 313.333 -0.236 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NC1CN(C/C=C\Cl)C1 ZINC001366929589 984066565 /nfs/dbraw/zinc/06/65/65/984066565.db2.gz FKKCQJYPLQEHIT-RJRFIUFISA-N -1 0 313.745 -0.232 20 0 DBADRM CCNC(=O)CCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001367009281 984120629 /nfs/dbraw/zinc/12/06/29/984120629.db2.gz YTXDCELOGLVCQO-VIFPVBQESA-N -1 0 310.358 -0.883 20 0 DBADRM Cc1cc(CNC[C@H](C)N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001367365467 984285762 /nfs/dbraw/zinc/28/57/62/984285762.db2.gz RLIPTHOFJPMLFU-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM CN(CCN(C)C(=O)[C@@]1(C)CCNC(=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001367523373 984332253 /nfs/dbraw/zinc/33/22/53/984332253.db2.gz MVHMZFZZAJJFDZ-AWEZNQCLSA-N -1 0 324.385 -0.683 20 0 DBADRM C[C@@H](CN(C)C/C=C\Cl)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001367848153 984700847 /nfs/dbraw/zinc/70/08/47/984700847.db2.gz ICZLEUVCZSQOND-VEMNSZJBSA-N -1 0 303.750 -0.122 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1ncccn1 ZINC001367844558 984704096 /nfs/dbraw/zinc/70/40/96/984704096.db2.gz BQRGWVFFSVHHSI-SNVBAGLBSA-N -1 0 319.369 -0.130 20 0 DBADRM CCCNC(=O)CN1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001367931536 984806103 /nfs/dbraw/zinc/80/61/03/984806103.db2.gz CULHVXAKOXSJIW-SNVBAGLBSA-N -1 0 309.370 -0.246 20 0 DBADRM O=C(Cc1cncs1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001367941375 984811184 /nfs/dbraw/zinc/81/11/84/984811184.db2.gz DQKMQBANQPCNIW-QMMMGPOBSA-N -1 0 308.367 -0.100 20 0 DBADRM Cc1ncc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)n1C ZINC001368016803 984845016 /nfs/dbraw/zinc/84/50/16/984845016.db2.gz WGEZAKOFNURZSL-UHFFFAOYSA-N -1 0 305.342 -0.396 20 0 DBADRM C[C@H](C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1)c1cnn(C)c1 ZINC001368045560 984854541 /nfs/dbraw/zinc/85/45/41/984854541.db2.gz NBABDIRUATUFNY-VIFPVBQESA-N -1 0 319.369 -0.214 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368177456 984896562 /nfs/dbraw/zinc/89/65/62/984896562.db2.gz NACYFVZHLYNFBT-YGRLFVJLSA-N -1 0 324.385 -0.494 20 0 DBADRM O=C(CCC1CC1)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368245439 984949183 /nfs/dbraw/zinc/94/91/83/984949183.db2.gz LJZCHUJWMVBBBA-AWEZNQCLSA-N -1 0 309.370 -0.247 20 0 DBADRM CC/C(C)=C/C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001533233020 1015085376 /nfs/dbraw/zinc/08/53/76/1015085376.db2.gz UJUUIUXJNZHBKQ-YVFTVSHDSA-N -1 0 310.354 -0.013 20 0 DBADRM Cc1coc(C(=O)NC[C@@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001368270241 985014935 /nfs/dbraw/zinc/01/49/35/985014935.db2.gz WKYVHIKYIRCJIB-AWEZNQCLSA-N -1 0 321.337 -0.221 20 0 DBADRM Cc1cc(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)ns1 ZINC001368290936 985048798 /nfs/dbraw/zinc/04/87/98/985048798.db2.gz MWSQINKCKCQFTQ-UHFFFAOYSA-N -1 0 324.366 -0.748 20 0 DBADRM O=C(NCC1(O)CN(CCCO)C1)c1cccc2n[nH]nc21 ZINC001368295567 985052692 /nfs/dbraw/zinc/05/26/92/985052692.db2.gz UIECZYHHPTVQKC-UHFFFAOYSA-N -1 0 305.338 -0.883 20 0 DBADRM Cc1cc[nH]c1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368299772 985059651 /nfs/dbraw/zinc/05/96/51/985059651.db2.gz YOLRASMSHJDOJI-UHFFFAOYSA-N -1 0 306.326 -0.876 20 0 DBADRM CC[C@@H](F)C(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001368616329 985310357 /nfs/dbraw/zinc/31/03/57/985310357.db2.gz SJCDAHMQPWUKHC-NOZJJQNGSA-N -1 0 315.349 -0.299 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001368757312 985395789 /nfs/dbraw/zinc/39/57/89/985395789.db2.gz RYVWSPMREBECRR-MNOVXSKESA-N -1 0 319.369 -0.124 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001368786037 985437240 /nfs/dbraw/zinc/43/72/40/985437240.db2.gz PNQXMPGPCGWSEA-KXUCPTDWSA-N -1 0 313.358 -0.749 20 0 DBADRM CCNC(=O)CC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001596456332 1017148553 /nfs/dbraw/zinc/14/85/53/1017148553.db2.gz KZGGRFDLZYIGIM-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)Cc1ccon1 ZINC001368997485 985637230 /nfs/dbraw/zinc/63/72/30/985637230.db2.gz PJMLIHCXYARPIX-QMMMGPOBSA-N -1 0 310.314 -0.686 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)CC[C@H]3CCOC3)C2)nc1=O ZINC001490882982 1015146735 /nfs/dbraw/zinc/14/67/35/1015146735.db2.gz TYVGBESOVZGKPS-SRVKXCTJSA-N -1 0 323.397 -0.338 20 0 DBADRM Cc1ccc(C(=O)NC2(CCO)CN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001369014366 985651927 /nfs/dbraw/zinc/65/19/27/985651927.db2.gz JWVDUXQLMGLVOW-UHFFFAOYSA-N -1 0 321.337 -0.221 20 0 DBADRM CC(=O)NC1(CCO)CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001369012696 985653427 /nfs/dbraw/zinc/65/34/27/985653427.db2.gz PBUIIQWAEULRHU-UHFFFAOYSA-N -1 0 305.338 -0.905 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc[nH]c1 ZINC001369020591 985663032 /nfs/dbraw/zinc/66/30/32/985663032.db2.gz NNHSYEFIOXVQAF-UHFFFAOYSA-N -1 0 306.326 -0.795 20 0 DBADRM C[C@H](NC(=O)CCc1nnc[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369071097 985695302 /nfs/dbraw/zinc/69/53/02/985695302.db2.gz DCZLERZQECDILK-QMMMGPOBSA-N -1 0 320.357 -0.802 20 0 DBADRM C[C@H](NC(=O)[C@@]1(F)CCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369090635 985713163 /nfs/dbraw/zinc/71/31/63/985713163.db2.gz OCLYJRXVMDNXLJ-ISVAXAHUSA-N -1 0 313.333 -0.425 20 0 DBADRM C[C@@H](NC(=O)[C@]1(F)CCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369090642 985713212 /nfs/dbraw/zinc/71/32/12/985713212.db2.gz OCLYJRXVMDNXLJ-OQPBUACISA-N -1 0 313.333 -0.425 20 0 DBADRM C[C@@H](NC(=O)[C@@]1(F)CCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369090625 985714049 /nfs/dbraw/zinc/71/40/49/985714049.db2.gz OCLYJRXVMDNXLJ-AMIZOPFISA-N -1 0 313.333 -0.425 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369165411 985785213 /nfs/dbraw/zinc/78/52/13/985785213.db2.gz QZWVRQJPNRORKG-MRVPVSSYSA-N -1 0 319.369 -0.279 20 0 DBADRM C[C@@]1(CC(=O)N2CCC[C@@]2(C)C(=O)[O-])CCS(=O)(=O)N1 ZINC001589240549 985817457 /nfs/dbraw/zinc/81/74/57/985817457.db2.gz UUAHDRQFCVEOHY-RYUDHWBXSA-N -1 0 304.368 -0.076 20 0 DBADRM O=C(COC1CCCC1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001369306793 985858624 /nfs/dbraw/zinc/85/86/24/985858624.db2.gz KZAITYGGWQQRBU-SECBINFHSA-N -1 0 313.358 -0.964 20 0 DBADRM O=C(CC[C@H]1CCCO1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001369313486 985865337 /nfs/dbraw/zinc/86/53/37/985865337.db2.gz YVCPSLSLWDDAMV-NXEZZACHSA-N -1 0 313.358 -0.964 20 0 DBADRM O=C(CCc1ccoc1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001369317611 985873330 /nfs/dbraw/zinc/87/33/30/985873330.db2.gz DMMXJBSJALBUOD-SNVBAGLBSA-N -1 0 309.326 -0.697 20 0 DBADRM CC(=O)c1c[nH]c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC001589253424 985874618 /nfs/dbraw/zinc/87/46/18/985874618.db2.gz HGIJMYMREBYYLB-SNVBAGLBSA-N -1 0 314.319 -0.459 20 0 DBADRM Cc1ccc(CC(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001369344727 985933722 /nfs/dbraw/zinc/93/37/22/985933722.db2.gz QRGKOKAGYODPBN-GFCCVEGCSA-N -1 0 319.365 -0.372 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@H]1C1CCC1 ZINC001369363053 985975478 /nfs/dbraw/zinc/97/54/78/985975478.db2.gz OIGFHELCQUKHJV-OUAUKWLOSA-N -1 0 309.370 -0.487 20 0 DBADRM CC(=O)c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1F ZINC001589297779 986047272 /nfs/dbraw/zinc/04/72/72/986047272.db2.gz TUSGHQNKWIHVSV-JTQLQIEISA-N -1 0 305.283 -0.248 20 0 DBADRM CC(=O)c1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1F ZINC001589297780 986047887 /nfs/dbraw/zinc/04/78/87/986047887.db2.gz TUSGHQNKWIHVSV-SNVBAGLBSA-N -1 0 305.283 -0.248 20 0 DBADRM CCNC(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001596456063 1017149341 /nfs/dbraw/zinc/14/93/41/1017149341.db2.gz DVUKGGWJKDWGSU-BDAKNGLRSA-N -1 0 323.353 -0.572 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)c1ccco1 ZINC001533615518 1015203587 /nfs/dbraw/zinc/20/35/87/1015203587.db2.gz NCFYEWPCSLOQDK-MRVPVSSYSA-N -1 0 320.305 -0.373 20 0 DBADRM COCCN(CCNC(=O)c1ccnn1C)Cc1n[nH]c(=O)[n-]1 ZINC001369549459 986280094 /nfs/dbraw/zinc/28/00/94/986280094.db2.gz ALQRHJVAGHEQBK-UHFFFAOYSA-N -1 0 323.357 -0.878 20 0 DBADRM CC(C)C(=O)NCC1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001369643056 986311569 /nfs/dbraw/zinc/31/15/69/986311569.db2.gz VSABISHERLEEBC-UHFFFAOYSA-N -1 0 309.326 -0.437 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)c1cc[nH]c1 ZINC001533765148 1015214390 /nfs/dbraw/zinc/21/43/90/1015214390.db2.gz TULBBUQQBCKBCL-MRVPVSSYSA-N -1 0 319.321 -0.638 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C1CCC1 ZINC001369901285 986440129 /nfs/dbraw/zinc/44/01/29/986440129.db2.gz KDOKYLBNIPWMRZ-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C2(C)CC2)C1 ZINC001370121136 986606883 /nfs/dbraw/zinc/60/68/83/986606883.db2.gz BOAJVJDGCPNIFK-MRVPVSSYSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@@H](CN(C)C(=O)CCCF)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001370596075 986813121 /nfs/dbraw/zinc/81/31/21/986813121.db2.gz WKAOOUXRBWPTEH-QMMMGPOBSA-N -1 0 317.321 -0.598 20 0 DBADRM CCC1(C(=O)N[C@@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001370683958 986882437 /nfs/dbraw/zinc/88/24/37/986882437.db2.gz LOHDAQKOBWTWML-SECBINFHSA-N -1 0 310.354 -0.179 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)C2(C3CC3)CC2)c1[O-] ZINC001370690700 986890548 /nfs/dbraw/zinc/89/05/48/986890548.db2.gz YTPWMOJZBRJWCX-SNVBAGLBSA-N -1 0 322.365 -0.179 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNC(=O)c2cc[nH]c2)c1[O-] ZINC001370979005 987098430 /nfs/dbraw/zinc/09/84/30/987098430.db2.gz GRRBWBXRLAPUOO-SNVBAGLBSA-N -1 0 321.337 -0.385 20 0 DBADRM C/C=C(\C)C(=O)NC[C@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001534758822 1015279536 /nfs/dbraw/zinc/27/95/36/1015279536.db2.gz VKPOFDZTLRRWBP-WXLQGSQKSA-N -1 0 320.349 -0.217 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2ccnc(N3CCOCC3)n2)CCOC1 ZINC001594723533 987219129 /nfs/dbraw/zinc/21/91/29/987219129.db2.gz CYZMMAZKVYKRFE-AWEZNQCLSA-N -1 0 322.321 -0.713 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2cc(Cn3cccn3)on2)CCOC1 ZINC001594724148 987220903 /nfs/dbraw/zinc/22/09/03/987220903.db2.gz KTNBGDBBECAOQC-CYBMUJFWSA-N -1 0 306.278 -0.107 20 0 DBADRM CCN(C(=O)C(C)C)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001371362894 987325787 /nfs/dbraw/zinc/32/57/87/987325787.db2.gz MHUVBDWZCREXKU-SECBINFHSA-N -1 0 313.358 -0.302 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001491232730 1015301908 /nfs/dbraw/zinc/30/19/08/1015301908.db2.gz RLRBBNMKOFQQGQ-SECBINFHSA-N -1 0 311.342 -0.816 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC001371489826 987378409 /nfs/dbraw/zinc/37/84/09/987378409.db2.gz OCBMGUYZEYQIGM-HLTSFMKQSA-N -1 0 308.342 -0.337 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2nccc(C)n2)c1[O-] ZINC001491232491 1015302193 /nfs/dbraw/zinc/30/21/93/1015302193.db2.gz MDOWECLHHLLBAS-UHFFFAOYSA-N -1 0 304.310 -0.318 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1ccc(Cn2ccccc2=O)o1 ZINC001534985784 1015315541 /nfs/dbraw/zinc/31/55/41/1015315541.db2.gz JPQJAJSWDRETLD-UHFFFAOYSA-N -1 0 300.278 -0.313 20 0 DBADRM CCN(CCNC(=O)Cc1ccn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001372329608 987732201 /nfs/dbraw/zinc/73/22/01/987732201.db2.gz YECPBCNZICPLGH-UHFFFAOYSA-N -1 0 307.358 -0.575 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001372398836 987753675 /nfs/dbraw/zinc/75/36/75/987753675.db2.gz FIWORDYGBCJNQO-APPZFPTMSA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001372568953 987809210 /nfs/dbraw/zinc/80/92/10/987809210.db2.gz SWDZQJTUTHOZBZ-SNVBAGLBSA-N -1 0 319.369 -0.135 20 0 DBADRM NC(=O)CCCC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001372591822 987816603 /nfs/dbraw/zinc/81/66/03/987816603.db2.gz OETJOOZZYOGBDM-SECBINFHSA-N -1 0 310.358 -0.754 20 0 DBADRM CC(=O)N1CCC[C@H]([C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001372693335 987846809 /nfs/dbraw/zinc/84/68/09/987846809.db2.gz HROBYHJFVGEMHF-WPRPVWTQSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(Cn1cccn1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001372765423 987867613 /nfs/dbraw/zinc/86/76/13/987867613.db2.gz SLEUCABIWZYTGX-UHFFFAOYSA-N -1 0 305.342 -0.512 20 0 DBADRM CC(C)C(=O)NC[C@@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001372785364 987877085 /nfs/dbraw/zinc/87/70/85/987877085.db2.gz YEGVFJFEXIXBAM-SECBINFHSA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@]2(C)CNC(=O)C2)c1[O-] ZINC001372814099 987892659 /nfs/dbraw/zinc/89/26/59/987892659.db2.gz CTXPFNWJAPEXQQ-UOWDBTKRSA-N -1 0 323.353 -0.816 20 0 DBADRM CCC(=O)NCC(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001372827180 987900478 /nfs/dbraw/zinc/90/04/78/987900478.db2.gz YTVPRMOCGGTPNL-SSDOTTSWSA-N -1 0 311.342 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)Cn3cccn3)CC2)c1[O-] ZINC001535211349 1015352981 /nfs/dbraw/zinc/35/29/81/1015352981.db2.gz SIACOSABCWOHNN-UHFFFAOYSA-N -1 0 318.337 -0.301 20 0 DBADRM C[C@H](CNC(=O)CC1(C)CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001372981862 988015711 /nfs/dbraw/zinc/01/57/11/988015711.db2.gz VKFRIXCMOAARTC-SECBINFHSA-N -1 0 322.365 -0.089 20 0 DBADRM O=C(NC1(CNC(=O)[C@H]2CCCOCC2)CC1)c1cn[nH]n1 ZINC001535230669 1015354705 /nfs/dbraw/zinc/35/47/05/1015354705.db2.gz IDBMCZGVQPUTBW-JTQLQIEISA-N -1 0 307.354 0.000 20 0 DBADRM CCC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001373040065 988057227 /nfs/dbraw/zinc/05/72/27/988057227.db2.gz FSTPOFSEOOBLOJ-AOOOYVTPSA-N -1 0 322.369 -0.788 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1(C)CC1 ZINC001373310210 988217402 /nfs/dbraw/zinc/21/74/02/988217402.db2.gz NETLJLMFEWWNMQ-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CCC1 ZINC001373312456 988217802 /nfs/dbraw/zinc/21/78/02/988217802.db2.gz WQFLTQQZCSJJPY-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM CN(CCNC(=O)CCC1CC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001373383177 988297367 /nfs/dbraw/zinc/29/73/67/988297367.db2.gz IYVSPRURXOQPAK-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)CC2(O)CCC2)c1[O-] ZINC001373401445 988314140 /nfs/dbraw/zinc/31/41/40/988314140.db2.gz OGZVGYCVCJMHFW-UHFFFAOYSA-N -1 0 310.354 -0.083 20 0 DBADRM C[C@@H](C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1)C1CC1 ZINC001535695657 1015385545 /nfs/dbraw/zinc/38/55/45/1015385545.db2.gz PFIUDNKCUYTAJD-MRVPVSSYSA-N -1 0 323.353 -0.500 20 0 DBADRM Cc1cnn(CC(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001373494229 988399571 /nfs/dbraw/zinc/39/95/71/988399571.db2.gz PBNGRLLSWWBNDX-UHFFFAOYSA-N -1 0 305.342 -0.737 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001373605765 988486076 /nfs/dbraw/zinc/48/60/76/988486076.db2.gz SDEWSMZMVZUPJF-RKDXNWHRSA-N -1 0 308.338 -0.670 20 0 DBADRM CC1(C(=O)NCC2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)CCC1 ZINC001535727301 1015392503 /nfs/dbraw/zinc/39/25/03/1015392503.db2.gz VVCYWPKQBQUSQA-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM C[C@](O)(CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001373626472 988505491 /nfs/dbraw/zinc/50/54/91/988505491.db2.gz SGULWQBDVNDUNL-YGRLFVJLSA-N -1 0 309.370 -0.248 20 0 DBADRM CCN(CCNC(=O)C1CCC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001373732937 988575432 /nfs/dbraw/zinc/57/54/32/988575432.db2.gz KDKVAJBRAJZFJM-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1(CNC(=O)[C@H]2CC23CC3)CC1 ZINC001536046609 1015411211 /nfs/dbraw/zinc/41/12/11/1015411211.db2.gz GIGRHGJMLWIHJO-MRVPVSSYSA-N -1 0 321.337 -0.746 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NCc2nc(N(C)C)no2)c1[O-] ZINC001491431217 1015415672 /nfs/dbraw/zinc/41/56/72/1015415672.db2.gz JHTUYXUQNNWPMI-SSDOTTSWSA-N -1 0 323.357 -0.219 20 0 DBADRM O=C(Cc1ccc[nH]1)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001374144097 988802716 /nfs/dbraw/zinc/80/27/16/988802716.db2.gz ROAGYICJWKGJBN-LLVKDONJSA-N -1 0 320.353 -0.602 20 0 DBADRM CCC(=O)NCCN(C(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001374173097 988809045 /nfs/dbraw/zinc/80/90/45/988809045.db2.gz XQTVQUDFIYMLPZ-UHFFFAOYSA-N -1 0 323.353 -0.267 20 0 DBADRM C[C@@H](CNCc1ccon1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001374313095 988856482 /nfs/dbraw/zinc/85/64/82/988856482.db2.gz CJQZUBFZJIBRNO-QMMMGPOBSA-N -1 0 310.314 -0.686 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(Cc2cc(C(=O)[O-])no2)C1 ZINC001596495639 1017154931 /nfs/dbraw/zinc/15/49/31/1017154931.db2.gz CVKHIFFDFDIKHH-VIFPVBQESA-N -1 0 303.340 -0.114 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)NCC(C)(C)C(=O)[O-])C1 ZINC001596494715 1017154993 /nfs/dbraw/zinc/15/49/93/1017154993.db2.gz VBKAJWRUBCMFHH-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM CCc1ncoc1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597709333 988959023 /nfs/dbraw/zinc/95/90/23/988959023.db2.gz LJIBUCWQYYIJFP-DTWKUNHWSA-N -1 0 307.306 -0.102 20 0 DBADRM CCc1ncncc1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597709756 988962270 /nfs/dbraw/zinc/96/22/70/988962270.db2.gz WWMXBIIAPDHYJG-VHSXEESVSA-N -1 0 318.333 -0.300 20 0 DBADRM CC(=O)N[C@@](C)(C(=O)N1CC(NC(=O)c2cn[nH]n2)C1)C(C)C ZINC001374695810 989147551 /nfs/dbraw/zinc/14/75/51/989147551.db2.gz DYAZFXUSMRIXNN-CQSZACIVSA-N -1 0 322.369 -0.704 20 0 DBADRM CC(C)CC(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001374786485 989214292 /nfs/dbraw/zinc/21/42/92/989214292.db2.gz UEFUPEATABCARJ-UHFFFAOYSA-N -1 0 309.326 -0.483 20 0 DBADRM CCCC(=O)N[C@@]1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001536726230 1015457839 /nfs/dbraw/zinc/45/78/39/1015457839.db2.gz DNWFNJIREOYWQE-ZDUSSCGKSA-N -1 0 311.342 -0.403 20 0 DBADRM C[C@@H]1CN([C@@H]2CCCN(CCC(=O)[O-])C2=O)CCS1(=O)=O ZINC001599865062 989234753 /nfs/dbraw/zinc/23/47/53/989234753.db2.gz SPDFFIAQZRGVHW-GHMZBOCLSA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@@H]1CN(C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)CCN1S(C)(=O)=O ZINC001599865381 989243871 /nfs/dbraw/zinc/24/38/71/989243871.db2.gz AZXHNPSIXYQZBK-HLTSFMKQSA-N -1 0 312.338 -0.082 20 0 DBADRM Cc1cc(CN(C)C[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001375074131 989410128 /nfs/dbraw/zinc/41/01/28/989410128.db2.gz QIDLTNCXOZWBDM-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001375171345 989465930 /nfs/dbraw/zinc/46/59/30/989465930.db2.gz PJIQUPYQVONVEU-IWSPIJDZSA-N -1 0 311.342 -0.644 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001536984966 1015482073 /nfs/dbraw/zinc/48/20/73/1015482073.db2.gz UOLKDAYHGDXEHR-UWVGGRQHSA-N -1 0 311.338 -0.655 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001536984965 1015482436 /nfs/dbraw/zinc/48/24/36/1015482436.db2.gz UOLKDAYHGDXEHR-NXEZZACHSA-N -1 0 311.338 -0.655 20 0 DBADRM O=C(CCc1ccon1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001375326788 989555642 /nfs/dbraw/zinc/55/56/42/989555642.db2.gz OCONGCJJQWUVGB-SNVBAGLBSA-N -1 0 306.326 -0.178 20 0 DBADRM CC(=O)NC[C@@](C)(NC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001375378221 989581676 /nfs/dbraw/zinc/58/16/76/989581676.db2.gz MJZHYNYDEFETOY-CQSZACIVSA-N -1 0 323.353 -0.364 20 0 DBADRM C[C@@H](C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1)n1cncn1 ZINC001375413854 989592090 /nfs/dbraw/zinc/59/20/90/989592090.db2.gz PMTSCSVDWLCXCX-QMMMGPOBSA-N -1 0 306.330 -0.899 20 0 DBADRM C[C@H]1COCC[C@@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001375478548 989618501 /nfs/dbraw/zinc/61/85/01/989618501.db2.gz NBKSQYNYRDHQTE-UWVGGRQHSA-N -1 0 309.370 -0.079 20 0 DBADRM Cn1[nH]c(CNC2(CNC(=O)CC(C)(F)F)CC2)nc1=O ZINC001375482579 989621897 /nfs/dbraw/zinc/62/18/97/989621897.db2.gz WZNKWFJJVIRCNS-UHFFFAOYSA-N -1 0 303.313 -0.108 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)C(C)(F)F ZINC001375571592 989666843 /nfs/dbraw/zinc/66/68/43/989666843.db2.gz SCMFMAJLMCEHMZ-YFKPBYRVSA-N -1 0 319.268 -0.580 20 0 DBADRM CN(C(=O)CCc1ccon1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375693468 989750625 /nfs/dbraw/zinc/75/06/25/989750625.db2.gz XFBQAEKGAWGXRK-UHFFFAOYSA-N -1 0 306.326 -0.226 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(c2ccc(C(=O)[O-])nn2)C1 ZINC001596495637 1017155607 /nfs/dbraw/zinc/15/56/07/1017155607.db2.gz CSYPVKJUGOLNIU-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM CO[N-]C(=O)CNC(=O)COCCNC(=O)c1ccccc1 ZINC001539091608 1015516543 /nfs/dbraw/zinc/51/65/43/1015516543.db2.gz RETWUJDOLLEWTQ-UHFFFAOYSA-N -1 0 309.322 -0.773 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC001538748166 1015516775 /nfs/dbraw/zinc/51/67/75/1015516775.db2.gz ZXAANFDFVPWTRC-UHFFFAOYSA-N -1 0 320.305 -0.748 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC001539090981 1015517521 /nfs/dbraw/zinc/51/75/21/1015517521.db2.gz HGRRFZHLTFNCAT-UHFFFAOYSA-N -1 0 304.310 -0.558 20 0 DBADRM CC(C)CC(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001376142511 989909186 /nfs/dbraw/zinc/90/91/86/989909186.db2.gz DCNRTVAOVFHVIE-UHFFFAOYSA-N -1 0 311.342 -0.141 20 0 DBADRM Cc1noc(CCCNC(=O)CCCn2c(=O)[n-][nH]c2=O)n1 ZINC001542822348 1015533190 /nfs/dbraw/zinc/53/31/90/1015533190.db2.gz YPNLEWPHFXUMPY-UHFFFAOYSA-N -1 0 310.314 -0.090 20 0 DBADRM CCCC(=O)NC[C@H](O)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001376471278 990090030 /nfs/dbraw/zinc/09/00/30/990090030.db2.gz HXSFUSOKGQIPOX-VIFPVBQESA-N -1 0 321.337 -0.970 20 0 DBADRM Cn1c(CNC(=O)Cn2c(=O)[n-][nH]c2=O)nc2ccccc21 ZINC001542843395 1015534732 /nfs/dbraw/zinc/53/47/32/1015534732.db2.gz JVIQEJGNQIEZRU-UHFFFAOYSA-N -1 0 302.294 -0.108 20 0 DBADRM CCO[C@H](C)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001376637568 990238185 /nfs/dbraw/zinc/23/81/85/990238185.db2.gz UJPZCAWTBAINGL-ZJUUUORDSA-N -1 0 313.358 -0.748 20 0 DBADRM Cc1cnc(CN[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)nc1 ZINC001491656023 1015550585 /nfs/dbraw/zinc/55/05/85/1015550585.db2.gz ZRKWKRJMVGYAEP-VIFPVBQESA-N -1 0 321.341 -0.918 20 0 DBADRM CC(C)C(=O)NC[C@@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001377134639 990451629 /nfs/dbraw/zinc/45/16/29/990451629.db2.gz ZWZHCLSLVQFVNY-MRVPVSSYSA-N -1 0 311.342 -0.508 20 0 DBADRM C[C@H](CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001377187183 990474976 /nfs/dbraw/zinc/47/49/76/990474976.db2.gz RXTDHSBVWYTMRE-WFEFGEHDSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC1(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001377185353 990475840 /nfs/dbraw/zinc/47/58/40/990475840.db2.gz MIXQHWIUAMSSOF-RFZPGFLSSA-N -1 0 317.252 -0.828 20 0 DBADRM CCC[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001377186567 990476003 /nfs/dbraw/zinc/47/60/03/990476003.db2.gz OHEJCZYKFNUZJF-HTQZYQBOSA-N -1 0 311.342 -0.047 20 0 DBADRM COc1coc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)cc1=O ZINC001377191818 990477922 /nfs/dbraw/zinc/47/79/22/990477922.db2.gz SJTJRSPEZSHTHB-UHFFFAOYSA-N -1 0 323.309 -0.666 20 0 DBADRM C[C@H](CNC(=O)CC1(C)CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001377205230 990482342 /nfs/dbraw/zinc/48/23/42/990482342.db2.gz WWVHIKVWGVBMEE-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@H](CNC(=O)C1=CCCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001377203613 990482638 /nfs/dbraw/zinc/48/26/38/990482638.db2.gz IMTDNESWIKBSPJ-MRVPVSSYSA-N -1 0 309.326 -0.580 20 0 DBADRM CN(CCNC(=O)COC[C@@H]1CCCO1)Cc1n[nH]c(=O)[n-]1 ZINC001377273916 990513008 /nfs/dbraw/zinc/51/30/08/990513008.db2.gz JPIFVMOUFKZAJI-JTQLQIEISA-N -1 0 313.358 -0.746 20 0 DBADRM CCN(CCNC(=O)[C@@H]1CCN(C)C(=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001377318136 990530981 /nfs/dbraw/zinc/53/09/81/990530981.db2.gz LADWZKFADRQUJS-SNVBAGLBSA-N -1 0 324.385 -0.683 20 0 DBADRM CNC(=O)CCCC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001377393770 990569358 /nfs/dbraw/zinc/56/93/58/990569358.db2.gz YISMSPZOQFGELI-JTQLQIEISA-N -1 0 324.385 -0.493 20 0 DBADRM O=C(COCC1CC1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001377435846 990596653 /nfs/dbraw/zinc/59/66/53/990596653.db2.gz QDXHLSVSSGETHC-LLVKDONJSA-N -1 0 309.370 -0.125 20 0 DBADRM CCCN(CCNC(=O)[C@H]1CC(=O)N(C)C1)Cc1n[nH]c(=O)[n-]1 ZINC001377492074 990629755 /nfs/dbraw/zinc/62/97/55/990629755.db2.gz LAUGKZLLELZGSL-JTQLQIEISA-N -1 0 324.385 -0.683 20 0 DBADRM O=C(CCc1nnc[nH]1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001377517206 990638173 /nfs/dbraw/zinc/63/81/73/990638173.db2.gz MODKGSCLNIEZIJ-UHFFFAOYSA-N -1 0 320.357 -0.658 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@]23C[C@H]2COC3)c1[O-] ZINC001377686557 990695986 /nfs/dbraw/zinc/69/59/86/990695986.db2.gz KEJXEXDYCGDKNA-CVXYPUPMSA-N -1 0 308.338 -0.305 20 0 DBADRM O=C(CCn1ccnn1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001377810409 990743884 /nfs/dbraw/zinc/74/38/84/990743884.db2.gz JBBQQVWOSUXEPR-SNVBAGLBSA-N -1 0 320.357 -0.727 20 0 DBADRM O=C(COCC(F)F)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001377826827 990746777 /nfs/dbraw/zinc/74/67/77/990746777.db2.gz SHXAKNYSIYETHY-MRVPVSSYSA-N -1 0 319.312 -0.127 20 0 DBADRM Cc1ccn(C[C@H](C)C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001377883914 990772130 /nfs/dbraw/zinc/77/21/30/990772130.db2.gz SKJRDNBXSOMPMN-VIFPVBQESA-N -1 0 319.369 -0.348 20 0 DBADRM CCOC(=O)[C@@]1(C)CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CCO1 ZINC001596553917 1017157293 /nfs/dbraw/zinc/15/72/93/1017157293.db2.gz YICUBFBXXXVMEW-BXKDBHETSA-N -1 0 323.367 -0.309 20 0 DBADRM C[C@@H](CNC(=O)CCn1cccn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001378006198 990825420 /nfs/dbraw/zinc/82/54/20/990825420.db2.gz MXCTXHITOJKTFB-JTQLQIEISA-N -1 0 307.358 -0.266 20 0 DBADRM CCOC(=O)C1(C(=O)N[C@@H](CCOC)C(=O)[O-])CCOCC1 ZINC001596542430 1017157205 /nfs/dbraw/zinc/15/72/05/1017157205.db2.gz BOODRGZQMNMJET-JTQLQIEISA-N -1 0 317.338 -0.048 20 0 DBADRM C[C@H](CNC(=O)C1CCC(O)CC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001378036995 990833870 /nfs/dbraw/zinc/83/38/70/990833870.db2.gz JQQOCBNZLCKOSW-KPPDAEKUSA-N -1 0 311.386 -0.002 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CC1(F)F ZINC001378283237 990913056 /nfs/dbraw/zinc/91/30/56/990913056.db2.gz KBJVDMFYRPLOLM-SSDOTTSWSA-N -1 0 317.296 -0.782 20 0 DBADRM CCC(=O)N1CC[C@@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001378490400 990990846 /nfs/dbraw/zinc/99/08/46/990990846.db2.gz UKHWWBBXECGJGU-SECBINFHSA-N -1 0 318.337 -0.802 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNCc2cnn(C)n2)c1[O-] ZINC001378761091 991153959 /nfs/dbraw/zinc/15/39/59/991153959.db2.gz UMJDADBZSQQSSJ-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM CC1(C(=O)NCC2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)CC1 ZINC001378854888 991215452 /nfs/dbraw/zinc/21/54/52/991215452.db2.gz AHDHINJYKFPJJJ-UHFFFAOYSA-N -1 0 309.326 -0.746 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001378985732 991263317 /nfs/dbraw/zinc/26/33/17/991263317.db2.gz KRNGPOYMDQIMRF-BDAKNGLRSA-N -1 0 323.353 -0.500 20 0 DBADRM Cc1cc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001379044524 991297269 /nfs/dbraw/zinc/29/72/69/991297269.db2.gz YXVBQUABYHQJTP-UHFFFAOYSA-N -1 0 305.342 -0.187 20 0 DBADRM CN(CCN(C)C(=O)CN(C)C(=O)C1CC1)Cc1n[nH]c(=O)[n-]1 ZINC001379050923 991304465 /nfs/dbraw/zinc/30/44/65/991304465.db2.gz AIRMFRABNZKTLE-UHFFFAOYSA-N -1 0 324.385 -0.731 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ccnn1C ZINC001379072269 991315579 /nfs/dbraw/zinc/31/55/79/991315579.db2.gz XWTLVKXBSMFQMS-UHFFFAOYSA-N -1 0 321.341 -0.780 20 0 DBADRM CCOC(=O)C1(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1 ZINC001596555794 1017158191 /nfs/dbraw/zinc/15/81/91/1017158191.db2.gz UZPALFWNAHKYOJ-UHFFFAOYSA-N -1 0 317.323 -0.271 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2nccn2C)c1[O-] ZINC001379405496 991638585 /nfs/dbraw/zinc/63/85/85/991638585.db2.gz VKNWRPQGBQNFHD-SECBINFHSA-N -1 0 308.342 -0.962 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C12CCC(CC1)C2 ZINC001379439511 991669863 /nfs/dbraw/zinc/66/98/63/991669863.db2.gz UZIIWMCSCFWQQB-XIRUVYRFSA-N -1 0 309.370 -0.343 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)[C@H](C)C(=O)N(C)C)c1[O-] ZINC001379647007 991833823 /nfs/dbraw/zinc/83/38/23/991833823.db2.gz RBLOWIWPJNPBGA-WCBMZHEXSA-N -1 0 311.386 -0.049 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)[C@H](C)C(=O)N(C)C)c1[O-] ZINC001379646984 991834047 /nfs/dbraw/zinc/83/40/47/991834047.db2.gz RBLOWIWPJNPBGA-PSASIEDQSA-N -1 0 311.386 -0.049 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H](C)n1cncn1 ZINC001379658405 991839147 /nfs/dbraw/zinc/83/91/47/991839147.db2.gz PRDDQMZKQUHKEV-IUCAKERBSA-N -1 0 308.346 -0.701 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1ccc(=O)n(C)c1 ZINC001379701974 991855677 /nfs/dbraw/zinc/85/56/77/991855677.db2.gz GEBGGKJPIBBSGZ-SECBINFHSA-N -1 0 320.353 -0.541 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001379726442 991866172 /nfs/dbraw/zinc/86/61/72/991866172.db2.gz VOUPQXZMJSDYHC-YMTOWFKASA-N -1 0 324.385 -0.637 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)Cn1ccccc1=O ZINC001379784156 991911130 /nfs/dbraw/zinc/91/11/30/991911130.db2.gz ZFABOUAGIYMCOL-SNVBAGLBSA-N -1 0 320.353 -0.691 20 0 DBADRM O=C([C@H]1OCCO[C@H]1C(F)(F)F)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001548761954 1015670019 /nfs/dbraw/zinc/67/00/19/1015670019.db2.gz KLTFLDLVESSZIG-GJMOJQLCSA-N -1 0 321.259 -0.138 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001548761514 1015670706 /nfs/dbraw/zinc/67/07/06/1015670706.db2.gz CYLZAOPYTNPCIW-SECBINFHSA-N -1 0 305.342 -0.584 20 0 DBADRM CCOC(=O)C[C@H](CO)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001596592348 1017159990 /nfs/dbraw/zinc/15/99/90/1017159990.db2.gz GQKFRPAZLIEUFQ-TURQNECASA-N -1 0 303.311 -0.705 20 0 DBADRM CCOC(=O)[C@H]1CNCCN1C(=O)c1csc(C(=O)[O-])n1 ZINC001596585217 1017159751 /nfs/dbraw/zinc/15/97/51/1017159751.db2.gz KASGCFZDZTUNOW-MRVPVSSYSA-N -1 0 313.335 -0.182 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)CCC(F)F ZINC001379939786 992046975 /nfs/dbraw/zinc/04/69/75/992046975.db2.gz RJNFRAKARYCEQP-MRVPVSSYSA-N -1 0 321.328 -0.193 20 0 DBADRM Cc1conc1C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001379980899 992081565 /nfs/dbraw/zinc/08/15/65/992081565.db2.gz RMBSEFXWLXDMOZ-SECBINFHSA-N -1 0 324.341 -0.628 20 0 DBADRM Cc1ccc(C(=O)NCC2(NCc3nn(C)c(=O)[n-]3)CC2)n1C ZINC001380059472 992116632 /nfs/dbraw/zinc/11/66/32/992116632.db2.gz OPLLAYSLAWLTGT-UHFFFAOYSA-N -1 0 318.381 -0.192 20 0 DBADRM CCOC(=O)/C=C/CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001596583955 1017160264 /nfs/dbraw/zinc/16/02/64/1017160264.db2.gz QQFUPOUPRPQCGU-FSIBCCDJSA-N -1 0 305.352 -0.321 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)c1n[nH]c2c1CCC2 ZINC001380117158 992156964 /nfs/dbraw/zinc/15/69/64/992156964.db2.gz RRKIWPMMTSPCSY-UHFFFAOYSA-N -1 0 317.353 -0.226 20 0 DBADRM Cn1nccc1[C@H]1[C@@H](NC(=O)C(C)(C)C(=O)[O-])CC(=O)N1C ZINC001549040286 1015693670 /nfs/dbraw/zinc/69/36/70/1015693670.db2.gz MYBSJLLLMNOJHU-GZMMTYOYSA-N -1 0 308.338 -0.081 20 0 DBADRM O=C(Cc1cscn1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001380156297 992179092 /nfs/dbraw/zinc/17/90/92/992179092.db2.gz ZEWACGGNPISNFP-UHFFFAOYSA-N -1 0 308.367 -0.052 20 0 DBADRM CC(=O)NCC(=O)N1CCCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001492026060 1015698019 /nfs/dbraw/zinc/69/80/19/1015698019.db2.gz UHVMOVXXJPPFEI-UHFFFAOYSA-N -1 0 323.353 -0.766 20 0 DBADRM CC(C)CC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001380369971 992285778 /nfs/dbraw/zinc/28/57/78/992285778.db2.gz HYCCYSJIKPUBAK-JGVFFNPUSA-N -1 0 311.342 -0.048 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2cnnn2C)c1[O-] ZINC001380439949 992315908 /nfs/dbraw/zinc/31/59/08/992315908.db2.gz VBNTVTKWAGEJFI-RNFRBKRXSA-N -1 0 321.341 -0.511 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C)/C=C\C(=O)[O-] ZINC001596575589 1017161189 /nfs/dbraw/zinc/16/11/89/1017161189.db2.gz FOHCMZZJECIFHF-FACRAVRUSA-N -1 0 320.367 -0.122 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C[C@H]3CC[C@H](C)O3)C2)c1[O-] ZINC001380589314 992420791 /nfs/dbraw/zinc/42/07/91/992420791.db2.gz XFZKDPXPSCOHEK-GXSJLCMTSA-N -1 0 324.381 -0.232 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001380601847 992430034 /nfs/dbraw/zinc/43/00/34/992430034.db2.gz TYHJBGNJARUCOL-AXFHLTTASA-N -1 0 321.381 -0.391 20 0 DBADRM C[C@H](CNC(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccnn1C)C(=O)[O-] ZINC001549175007 1015710811 /nfs/dbraw/zinc/71/08/11/1015710811.db2.gz BZQYPPWEDPMHLO-VDDIYKPWSA-N -1 0 323.353 -0.288 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001549181113 1015711031 /nfs/dbraw/zinc/71/10/31/1015711031.db2.gz QAYYZLVTBHMTEU-SCVCMEIPSA-N -1 0 304.368 -0.394 20 0 DBADRM Cc1ccn(CC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)c(=O)c1 ZINC001549219790 1015712158 /nfs/dbraw/zinc/71/21/58/1015712158.db2.gz CPJNNVPOVIRLQP-XHDPSFHLSA-N -1 0 306.318 -0.284 20 0 DBADRM CCn1nc(C(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)ccc1=O ZINC001549223830 1015712605 /nfs/dbraw/zinc/71/26/05/1015712605.db2.gz PMPYDJKPXFQIMU-LKFCYVNXSA-N -1 0 307.306 -0.564 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001549219691 1015713006 /nfs/dbraw/zinc/71/30/06/1015713006.db2.gz KZZITMVODNFVPY-AMJWSMQMSA-N -1 0 322.317 -0.043 20 0 DBADRM Cn1ncc2c1nc(N1C[C@H]3COC[C@]3(C(=O)[O-])C1)nc2N ZINC001549298573 1015718829 /nfs/dbraw/zinc/71/88/29/1015718829.db2.gz KMAALCVVVRFTLU-WPPNPWJKSA-N -1 0 304.310 -0.517 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(c1nccc(N3CCOCC3)n1)C2 ZINC001549299431 1015718978 /nfs/dbraw/zinc/71/89/78/1015718978.db2.gz PGGGGHPTTKVVRM-ABAIWWIYSA-N -1 0 320.349 -0.149 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(c1cc(N3CCOCC3)ncn1)C2 ZINC001549299120 1015719162 /nfs/dbraw/zinc/71/91/62/1015719162.db2.gz OFLQRDKGSQCTER-NHYWBVRUSA-N -1 0 320.349 -0.149 20 0 DBADRM CN(CCCN(C)C(=O)CCc1nnc[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001380952255 992606334 /nfs/dbraw/zinc/60/63/34/992606334.db2.gz RZNJUWAGVHCOOS-UHFFFAOYSA-N -1 0 322.373 -0.459 20 0 DBADRM Cn1ccnc1[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCC(=O)N1C ZINC001549304795 1015720737 /nfs/dbraw/zinc/72/07/37/1015720737.db2.gz HNNQMLZYAOANNQ-MWGHHZFTSA-N -1 0 320.349 -0.081 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549305680 1015722193 /nfs/dbraw/zinc/72/21/93/1015722193.db2.gz KIGUKZQYNGRGSG-ZOWXZIJZSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C(CC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1)NCC(F)(F)F ZINC001549306046 1015722285 /nfs/dbraw/zinc/72/22/85/1015722285.db2.gz OIRSTXUPLGADGQ-WRWORJQWSA-N -1 0 324.255 -0.385 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001596594348 1017162707 /nfs/dbraw/zinc/16/27/07/1017162707.db2.gz HVEVMSJWHAPXDT-NOZJJQNGSA-N -1 0 303.311 -0.559 20 0 DBADRM CO[C@H]1C[C@H](C(=O)N2CCCC2)N(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC001549378634 1015724621 /nfs/dbraw/zinc/72/46/21/1015724621.db2.gz KJNRIBUPOIVVMP-CMPLNLGQSA-N -1 0 322.365 -0.022 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)c1noc3c1COCC3)C2 ZINC001549541652 1015733268 /nfs/dbraw/zinc/73/32/68/1015733268.db2.gz XVQBYSDZQWVDOF-RMLUDKJBSA-N -1 0 308.290 -0.080 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381522544 992825540 /nfs/dbraw/zinc/82/55/40/992825540.db2.gz ATAXHXKOGQDKOF-RKDXNWHRSA-N -1 0 312.374 -0.639 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381522542 992826544 /nfs/dbraw/zinc/82/65/44/992826544.db2.gz ATAXHXKOGQDKOF-DTWKUNHWSA-N -1 0 312.374 -0.639 20 0 DBADRM CCOc1cc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001381529473 992828022 /nfs/dbraw/zinc/82/80/22/992828022.db2.gz GLUTVQBBCODYJI-MRVPVSSYSA-N -1 0 323.357 -0.118 20 0 DBADRM C[C@H](CNC(=O)c1cn(C)ccc1=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381547581 992836180 /nfs/dbraw/zinc/83/61/80/992836180.db2.gz UJKDLSYWPYUIGU-SECBINFHSA-N -1 0 320.353 -0.541 20 0 DBADRM C[C@@H](NC(=O)CCn1ccnn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381787009 992880791 /nfs/dbraw/zinc/88/07/91/992880791.db2.gz GCLSVHNELOJIQO-SECBINFHSA-N -1 0 320.357 -0.871 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)c2ncn(C)n2)c1[O-] ZINC001381969389 992943042 /nfs/dbraw/zinc/94/30/42/992943042.db2.gz LCBKBHLLOOAUJZ-SSDOTTSWSA-N -1 0 321.341 -0.557 20 0 DBADRM CCOC(=O)C[C@H](O)CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001596593820 1017162920 /nfs/dbraw/zinc/16/29/20/1017162920.db2.gz BKGRYSVRJSDLEY-SDBXPKJASA-N -1 0 316.310 -0.524 20 0 DBADRM CC[C@H](SC)C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001382194480 993039813 /nfs/dbraw/zinc/03/98/13/993039813.db2.gz BZAYQSQXNSBKTO-YUMQZZPRSA-N -1 0 303.388 -0.781 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2cnns2)c1[O-] ZINC001382199925 993046717 /nfs/dbraw/zinc/04/67/17/993046717.db2.gz PGFZMSFBAWNTHV-SSDOTTSWSA-N -1 0 312.355 -0.844 20 0 DBADRM C[C@H]1CC[C@H](C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)CC1 ZINC001382268762 993109470 /nfs/dbraw/zinc/10/94/70/993109470.db2.gz RPRRWRYGLGDHKP-GMTAPVOTSA-N -1 0 311.386 -0.097 20 0 DBADRM CN(CCNC(=O)c1cc(C2CC2)nn1C)Cc1n[nH]c(=O)[n-]1 ZINC001492277597 1015760052 /nfs/dbraw/zinc/76/00/52/1015760052.db2.gz QVTIBMYANFKOAL-UHFFFAOYSA-N -1 0 319.369 -0.017 20 0 DBADRM CCOC(=O)CCCNC(=O)CN1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001596604097 1017163350 /nfs/dbraw/zinc/16/33/50/1017163350.db2.gz XYVUVDDNERKYKY-GXFFZTMASA-N -1 0 316.354 -0.644 20 0 DBADRM CC[C@H](OC)C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001382442691 993260739 /nfs/dbraw/zinc/26/07/39/993260739.db2.gz CCOWRRGLHNHMIQ-UWVGGRQHSA-N -1 0 315.374 -0.814 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC001549842600 1015771505 /nfs/dbraw/zinc/77/15/05/1015771505.db2.gz UNPVWBIWATWLRS-NWDGAFQWSA-N -1 0 320.397 -0.108 20 0 DBADRM C[C@@H](NC(=O)C1=CCCC1)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001382770344 993419377 /nfs/dbraw/zinc/41/93/77/993419377.db2.gz RHUZBVAHQKDVBS-DTWKUNHWSA-N -1 0 323.353 -0.191 20 0 DBADRM C[C@@H](CC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001492360053 1015788813 /nfs/dbraw/zinc/78/88/13/1015788813.db2.gz YAUTZMVHZLEPQW-JTQLQIEISA-N -1 0 321.385 -0.014 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001383478304 993662683 /nfs/dbraw/zinc/66/26/83/993662683.db2.gz HTVJBAJHKNDURW-IWSPIJDZSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@H](CN(C)C(=O)C1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001383635057 993691159 /nfs/dbraw/zinc/69/11/59/993691159.db2.gz JFGBHHQIJVIMIN-MRVPVSSYSA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001383800351 993749491 /nfs/dbraw/zinc/74/94/91/993749491.db2.gz TXRFUGPLGYFTBK-GUBZILKMSA-N -1 0 322.365 -0.281 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)C2=COCCC2)c1[O-] ZINC001383880249 993803564 /nfs/dbraw/zinc/80/35/64/993803564.db2.gz RNLVOTYILGSOHE-JTQLQIEISA-N -1 0 324.337 -0.675 20 0 DBADRM CCC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001383948844 993858288 /nfs/dbraw/zinc/85/82/88/993858288.db2.gz OLLDYXOLUYMIOY-BDAKNGLRSA-N -1 0 323.353 -0.093 20 0 DBADRM CN1CC[C@H](N2CCC(NC(=O)c3c[n-]ncc3=O)CC2)C1=O ZINC001550786877 1015813379 /nfs/dbraw/zinc/81/33/79/1015813379.db2.gz ZEWDWSFALAHXFA-LBPRGKRZSA-N -1 0 319.365 -0.393 20 0 DBADRM C[C@H]1CN(C(=O)c2c[n-]ncc2=O)C[C@H]1C(=O)N1CCOCC1 ZINC001550832822 1015814818 /nfs/dbraw/zinc/81/48/18/1015814818.db2.gz OSXXARBDNRIMJW-CMPLNLGQSA-N -1 0 320.349 -0.251 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001384089012 993955228 /nfs/dbraw/zinc/95/52/28/993955228.db2.gz VYNBYPQVJHKPNQ-PSASIEDQSA-N -1 0 311.342 -0.405 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1C[C@@H]1C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001492900159 1015823310 /nfs/dbraw/zinc/82/33/10/1015823310.db2.gz NAPJPIYRNTVZJI-DTWKUNHWSA-N -1 0 323.353 -0.093 20 0 DBADRM CCCC[C@H](C)C(=O)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001384236423 994048491 /nfs/dbraw/zinc/04/84/91/994048491.db2.gz WUGCUSXXJHWFOW-WCQGTBRESA-N -1 0 309.370 -0.068 20 0 DBADRM CCN(CCNC(=O)CCn1ccnn1)Cc1n[nH]c(=O)[n-]1 ZINC001492942827 1015830217 /nfs/dbraw/zinc/83/02/17/1015830217.db2.gz ZFFSHTPAUNYZCJ-UHFFFAOYSA-N -1 0 308.346 -0.870 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])Cc1nnnn1C ZINC001492935092 1015828912 /nfs/dbraw/zinc/82/89/12/1015828912.db2.gz UDWQCDCFIUAMIF-UHFFFAOYSA-N -1 0 308.346 -0.801 20 0 DBADRM CC1(C)C[C@H]1C(=O)N1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001400459684 994159692 /nfs/dbraw/zinc/15/96/92/994159692.db2.gz AWTIUGBOVROXHU-IUCAKERBSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001384520214 994170217 /nfs/dbraw/zinc/17/02/17/994170217.db2.gz LMSLZAOQRFUZAZ-HTQZYQBOSA-N -1 0 311.342 -0.048 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)CNC(=O)C(C)C ZINC001384588275 994195850 /nfs/dbraw/zinc/19/58/50/994195850.db2.gz PSYUHBLVACRYBI-MRVPVSSYSA-N -1 0 311.342 -0.094 20 0 DBADRM O=C(CCn1ccnc1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400521743 994205125 /nfs/dbraw/zinc/20/51/25/994205125.db2.gz UCFYTBAFNQBRHK-UHFFFAOYSA-N -1 0 305.342 -0.655 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001384865909 994297443 /nfs/dbraw/zinc/29/74/43/994297443.db2.gz ISLRFXJLAHTCMV-SNVBAGLBSA-N -1 0 323.353 -0.767 20 0 DBADRM CCn1ccnc1[C@@H]1OCC[C@@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC001552228832 1015849985 /nfs/dbraw/zinc/84/99/85/1015849985.db2.gz KINOUWDPIREBRI-JGVFFNPUSA-N -1 0 308.298 -0.246 20 0 DBADRM COC[C@@H](OC)C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001493134848 1015855217 /nfs/dbraw/zinc/85/52/17/1015855217.db2.gz FZNFRMBVCFVGOB-VHSXEESVSA-N -1 0 313.358 -0.748 20 0 DBADRM COc1cc(NC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)nn1C ZINC001552376277 1015857622 /nfs/dbraw/zinc/85/76/22/1015857622.db2.gz JOJJPDCHXLQWKP-ISVAXAHUSA-N -1 0 310.310 -0.006 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)N[C@@H]1CCc3ncnn3C1)C2 ZINC001552398247 1015857805 /nfs/dbraw/zinc/85/78/05/1015857805.db2.gz GPOJHHNDJBZOLD-RBZYPMLTSA-N -1 0 321.337 -0.665 20 0 DBADRM CCc1nncn1CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552401274 1015857866 /nfs/dbraw/zinc/85/78/66/1015857866.db2.gz GNKYVHXOUQMDMB-HZMBPMFUSA-N -1 0 323.353 -0.417 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552401397 1015857871 /nfs/dbraw/zinc/85/78/71/1015857871.db2.gz JZNLWEDBXPZUIG-PTRXPTGYSA-N -1 0 320.367 -0.838 20 0 DBADRM NC(=O)c1cccc(NC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC001552375703 1015857881 /nfs/dbraw/zinc/85/78/81/1015857881.db2.gz HVEKHSVJPNBESP-RMLUDKJBSA-N -1 0 320.305 -0.255 20 0 DBADRM Cn1cnc(CCNC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC001552397844 1015857889 /nfs/dbraw/zinc/85/78/89/1015857889.db2.gz GQEAZBQUWRTDBI-IINYFYTJSA-N -1 0 308.338 -0.295 20 0 DBADRM Cc1noc(CCNC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC001552403319 1015858037 /nfs/dbraw/zinc/85/80/37/1015858037.db2.gz QTHPSGCKBLGVLI-TVQRCGJNSA-N -1 0 310.310 -0.337 20 0 DBADRM COc1cc(NC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)nn1C ZINC001552376329 1015858092 /nfs/dbraw/zinc/85/80/92/1015858092.db2.gz JOJJPDCHXLQWKP-OQPBUACISA-N -1 0 310.310 -0.006 20 0 DBADRM CC1(CC(=O)N[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001385196810 994403870 /nfs/dbraw/zinc/40/38/70/994403870.db2.gz MLZBNORDXJIZEZ-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@]2(O)CCN(C(=O)C3CC3)C2)c1[O-] ZINC001401066979 994426067 /nfs/dbraw/zinc/42/60/67/994426067.db2.gz XUVFOASGVGAMPD-CQSZACIVSA-N -1 0 308.338 -0.473 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001552584501 1015863344 /nfs/dbraw/zinc/86/33/44/1015863344.db2.gz UEDWEWKKKOAELR-MJVIPROJSA-N -1 0 311.338 -0.650 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC001552584504 1015863961 /nfs/dbraw/zinc/86/39/61/1015863961.db2.gz UEDWEWKKKOAELR-UHIISALHSA-N -1 0 311.338 -0.650 20 0 DBADRM CNC(=O)CCCC(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001493195420 1015866695 /nfs/dbraw/zinc/86/66/95/1015866695.db2.gz HJXKFOLHMZVWJE-JTQLQIEISA-N -1 0 324.385 -0.635 20 0 DBADRM CCn1ncc(CNC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC001552655539 1015866254 /nfs/dbraw/zinc/86/62/54/1015866254.db2.gz WBEAGZIGNUFHKY-TVQRCGJNSA-N -1 0 309.326 -0.459 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552779074 1015867064 /nfs/dbraw/zinc/86/70/64/1015867064.db2.gz LYQJHPLVNRKJST-HZMBPMFUSA-N -1 0 313.354 -0.403 20 0 DBADRM Cc1ncc(CC(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001493209892 1015869987 /nfs/dbraw/zinc/86/99/87/1015869987.db2.gz DUUBSHSLJCGOLU-SNVBAGLBSA-N -1 0 320.353 -0.012 20 0 DBADRM CN(CCN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1)CC(N)=O ZINC001401448295 994570328 /nfs/dbraw/zinc/57/03/28/994570328.db2.gz ZXFFYEOIDSNONT-UHFFFAOYSA-N -1 0 307.310 -0.583 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCOCC2)O1 ZINC001552970801 1015871756 /nfs/dbraw/zinc/87/17/56/1015871756.db2.gz LOBWPLBJYHRUSF-MXWKQRLJSA-N -1 0 314.338 -0.676 20 0 DBADRM O=C(CCCF)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001385719339 994609939 /nfs/dbraw/zinc/60/99/39/994609939.db2.gz BFQMFRWXNLSHBE-SSDOTTSWSA-N -1 0 313.289 -0.637 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001385761003 994625435 /nfs/dbraw/zinc/62/54/35/994625435.db2.gz DDRLCQMTTHNMDB-CNUIFLNQSA-N -1 0 321.337 -0.437 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)C2CC2)C1 ZINC001385819125 994638079 /nfs/dbraw/zinc/63/80/79/994638079.db2.gz GVTZTURBGVYDEL-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@H](CNC(=O)C(C)(C)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386142342 994764891 /nfs/dbraw/zinc/76/48/91/994764891.db2.gz FNBOPNRYFIKPSY-RXMQYKEDSA-N -1 0 301.278 -0.735 20 0 DBADRM CC(C)CCC(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001386162979 994777686 /nfs/dbraw/zinc/77/76/86/994777686.db2.gz WAOWZFCPPZHQSV-SECBINFHSA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1nnsc1C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001401730544 994786940 /nfs/dbraw/zinc/78/69/40/994786940.db2.gz MKKSXBQDSOJDCT-LURJTMIESA-N -1 0 311.371 -0.079 20 0 DBADRM Cc1cc(C)n(CC(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001401754242 994797764 /nfs/dbraw/zinc/79/77/64/994797764.db2.gz CBFOSNCZNCZTNI-JTQLQIEISA-N -1 0 321.385 -0.040 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)Cc2nncn2C)c1[O-] ZINC001401755755 994801952 /nfs/dbraw/zinc/80/19/52/994801952.db2.gz CXLFDFQXMJPREO-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1cnn(C)n1 ZINC001401785827 994810845 /nfs/dbraw/zinc/81/08/45/994810845.db2.gz ZEVDDOCRRWAGIW-VIFPVBQESA-N -1 0 322.373 -0.792 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1c[nH]c(=O)n1C ZINC001401785612 994811225 /nfs/dbraw/zinc/81/12/25/994811225.db2.gz WNLTVVJMGDRKHR-ZETCQYMHSA-N -1 0 309.330 -0.800 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@@H]2CC(=O)N(C)C2)c1[O-] ZINC001386227283 994813450 /nfs/dbraw/zinc/81/34/50/994813450.db2.gz LHNVFDMVZHGREQ-IONNQARKSA-N -1 0 323.353 -0.863 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@@H]2CC(=O)N(C)C2)c1[O-] ZINC001386227284 994813799 /nfs/dbraw/zinc/81/37/99/994813799.db2.gz LHNVFDMVZHGREQ-VXNVDRBHSA-N -1 0 323.353 -0.863 20 0 DBADRM Cc1cnc(CN(C)C[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001401798582 994814757 /nfs/dbraw/zinc/81/47/57/994814757.db2.gz NAPKGSIUAVWONX-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)n1cccn1 ZINC001401887797 994841253 /nfs/dbraw/zinc/84/12/53/994841253.db2.gz UGARFMASDQOBPD-VHSXEESVSA-N -1 0 305.342 -0.342 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2CC(=O)NC(C)C)c1[O-] ZINC001401898036 994846804 /nfs/dbraw/zinc/84/68/04/994846804.db2.gz VVUZZOWEXCGCIL-SNVBAGLBSA-N -1 0 309.370 -0.248 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001386345845 994871567 /nfs/dbraw/zinc/87/15/67/994871567.db2.gz KZTGCQXCTFOKPI-DSYKOEDSSA-N -1 0 313.289 -0.592 20 0 DBADRM Cc1ncc(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)[nH]1 ZINC001493357049 1015897728 /nfs/dbraw/zinc/89/77/28/1015897728.db2.gz NBTSLQFAPYTQDK-UHFFFAOYSA-N -1 0 305.342 -0.064 20 0 DBADRM CN(C(=O)CCc1cncnc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402020677 994886246 /nfs/dbraw/zinc/88/62/46/994886246.db2.gz NZCJKRRGYKZSPG-UHFFFAOYSA-N -1 0 317.353 -0.424 20 0 DBADRM CC1(C(=O)NC[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001386576213 994970412 /nfs/dbraw/zinc/97/04/12/994970412.db2.gz ZROLILPURYIIDR-QMMMGPOBSA-N -1 0 321.337 -0.339 20 0 DBADRM C[C@H](CNC(=O)CC1CC1)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001386614912 994984033 /nfs/dbraw/zinc/98/40/33/994984033.db2.gz XTFLVRZSNSYZFI-MRVPVSSYSA-N -1 0 323.353 -0.364 20 0 DBADRM CCC(C)(C)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402274324 995028909 /nfs/dbraw/zinc/02/89/09/995028909.db2.gz WYIXZOBLPZVYPH-AWEZNQCLSA-N -1 0 311.386 -0.001 20 0 DBADRM CCC[C@H](C)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386700571 995037206 /nfs/dbraw/zinc/03/72/06/995037206.db2.gz OHEJCZYKFNUZJF-YUMQZZPRSA-N -1 0 311.342 -0.047 20 0 DBADRM COCCO[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001556225195 1015912594 /nfs/dbraw/zinc/91/25/94/1015912594.db2.gz AJAPYLJQNAYGFJ-SNVBAGLBSA-N -1 0 306.322 -0.100 20 0 DBADRM CS[C@@H](C)CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402325387 995080858 /nfs/dbraw/zinc/08/08/58/995080858.db2.gz JVXZTCHQYFQVKK-QMMMGPOBSA-N -1 0 315.399 -0.685 20 0 DBADRM CN(CCNC(=O)CC1CC1)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001386777223 995083365 /nfs/dbraw/zinc/08/33/65/995083365.db2.gz GRUWFXGMRWAUTR-UHFFFAOYSA-N -1 0 323.353 -0.410 20 0 DBADRM CN(CCNC(=O)C(C)(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386783585 995086184 /nfs/dbraw/zinc/08/61/84/995086184.db2.gz VZOPSRAPPZKXQJ-UHFFFAOYSA-N -1 0 305.241 -0.874 20 0 DBADRM CCCC(C)(C)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402346622 995095601 /nfs/dbraw/zinc/09/56/01/995095601.db2.gz AEVYLOSCUZPPOB-UHFFFAOYSA-N -1 0 311.386 -0.001 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)[N-]OCCO ZINC001556278822 1015917109 /nfs/dbraw/zinc/91/71/09/1015917109.db2.gz HRNFMOLKXGTKFN-TVQRCGJNSA-N -1 0 304.343 -0.213 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)Cn2ccnc2)c1[O-] ZINC001386910748 995169441 /nfs/dbraw/zinc/16/94/41/995169441.db2.gz VIZIAIIUJRGJMI-QMMMGPOBSA-N -1 0 306.326 -0.445 20 0 DBADRM O=C(NCc1nnc2n1CCOC2)c1ccc2oc(=O)nc-2[n-]1 ZINC001556449489 1015923705 /nfs/dbraw/zinc/92/37/05/1015923705.db2.gz ISWUSBGEPBDDJL-UHFFFAOYSA-N -1 0 316.277 -0.020 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C[C@H](C)C1CC1 ZINC001386983928 995201355 /nfs/dbraw/zinc/20/13/55/995201355.db2.gz QGZVFYFCWOTYFV-YUMQZZPRSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C[C@@H](C)C1CC1 ZINC001386983917 995201756 /nfs/dbraw/zinc/20/17/56/995201756.db2.gz QGZVFYFCWOTYFV-HTQZYQBOSA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1nonc1CC(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001402668109 995240319 /nfs/dbraw/zinc/24/03/19/995240319.db2.gz QNTCKVWKWJZSON-UHFFFAOYSA-N -1 0 323.357 -0.275 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]O[C@@H](CO)C(C)C ZINC001556736709 1015932558 /nfs/dbraw/zinc/93/25/58/1015932558.db2.gz LRPKIHJDNASLNQ-RYUDHWBXSA-N -1 0 315.370 -0.822 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001556736421 1015932664 /nfs/dbraw/zinc/93/26/64/1015932664.db2.gz FEYOMZIRYLTETK-SRVKXCTJSA-N -1 0 310.354 -0.519 20 0 DBADRM CC(C)CC(=O)NC[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001493462292 1015941296 /nfs/dbraw/zinc/94/12/96/1015941296.db2.gz KAFIIYWENOHVJW-VIFPVBQESA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)Cc2nc(=O)n(C)[nH]2)c1[O-] ZINC001403117745 995411249 /nfs/dbraw/zinc/41/12/49/995411249.db2.gz BRLWDGHHMMENQY-ZETCQYMHSA-N -1 0 323.357 -0.904 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)Cn2cccn2)c1[O-] ZINC001387680550 995419877 /nfs/dbraw/zinc/41/98/77/995419877.db2.gz BUTAHZOFNZHFNR-UHFFFAOYSA-N -1 0 306.326 -0.491 20 0 DBADRM CNC(=O)NCCNC(=O)c1nc[n-]c(=O)c1Br ZINC001557141361 1015943620 /nfs/dbraw/zinc/94/36/20/1015943620.db2.gz IDDSLTCVHKKLFZ-UHFFFAOYSA-N -1 0 318.131 -0.397 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1cnn(C)c1 ZINC001403154825 995428106 /nfs/dbraw/zinc/42/81/06/995428106.db2.gz JBLTURSSTKIFRT-QMMMGPOBSA-N -1 0 321.341 -0.733 20 0 DBADRM CNC(=O)NCCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC001557141717 1015944326 /nfs/dbraw/zinc/94/43/26/1015944326.db2.gz KRJSBPDTTARTSE-UHFFFAOYSA-N -1 0 314.367 -0.283 20 0 DBADRM C[C@@H](NC(=O)CC1(O)CCC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001403312742 995483201 /nfs/dbraw/zinc/48/32/01/995483201.db2.gz XPKJSGHGAVHRGI-SECBINFHSA-N -1 0 309.370 -0.248 20 0 DBADRM CC[C@H](F)C(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001387905201 995533519 /nfs/dbraw/zinc/53/35/19/995533519.db2.gz DYQPUHQTDXXXJJ-QMMMGPOBSA-N -1 0 315.305 -0.988 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)ccn1 ZINC001557578223 1015952570 /nfs/dbraw/zinc/95/25/70/1015952570.db2.gz SXWQFPHKTYXYBI-ZETCQYMHSA-N -1 0 306.278 -0.205 20 0 DBADRM COC(=O)c1cccc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)n1 ZINC001557578583 1015952633 /nfs/dbraw/zinc/95/26/33/1015952633.db2.gz OMCUXARHMLIJHO-ZETCQYMHSA-N -1 0 306.278 -0.205 20 0 DBADRM Cc1cnn(C)c1C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001387978215 995563838 /nfs/dbraw/zinc/56/38/38/995563838.db2.gz WZCUWAIZYFGTEE-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM C[C@@H](O)[C@H](O)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC001557729558 1015959069 /nfs/dbraw/zinc/95/90/69/1015959069.db2.gz GZMWYEFFOVAOEL-RDDDGLTNSA-N -1 0 323.374 -0.306 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccc(Cl)o1 ZINC001403653519 995617764 /nfs/dbraw/zinc/61/77/64/995617764.db2.gz JKMUZGOUAJSZII-LURJTMIESA-N -1 0 315.717 -0.363 20 0 DBADRM CC(F)(F)C1(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)CC1 ZINC001403695887 995653639 /nfs/dbraw/zinc/65/36/39/995653639.db2.gz FAOXAZBPYNYKFP-ZETCQYMHSA-N -1 0 319.312 -0.488 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1occ2c1CCC2 ZINC001403699967 995655852 /nfs/dbraw/zinc/65/58/52/995655852.db2.gz RARWIZQIIYGVLF-SECBINFHSA-N -1 0 321.337 -0.528 20 0 DBADRM Cc1ccc(F)cc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001403703440 995659787 /nfs/dbraw/zinc/65/97/87/995659787.db2.gz UXGOKSPNSKQAHV-JTQLQIEISA-N -1 0 323.328 -0.162 20 0 DBADRM CCCc1occc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001403723695 995673665 /nfs/dbraw/zinc/67/36/65/995673665.db2.gz IBOTUMGYRCGOJC-SECBINFHSA-N -1 0 323.353 -0.064 20 0 DBADRM CCN(CCNC(=O)Cc1nc[nH]n1)C(=O)c1n[nH]c(C)c1[O-] ZINC001388444175 995689920 /nfs/dbraw/zinc/68/99/20/995689920.db2.gz ITOJCTKYELAEKV-UHFFFAOYSA-N -1 0 321.341 -0.637 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)C1(C)CC1 ZINC001388454854 995694042 /nfs/dbraw/zinc/69/40/42/995694042.db2.gz HDZFUKJLPBHFEE-QMMMGPOBSA-N -1 0 311.342 -0.642 20 0 DBADRM CCN(CCNC(=O)c1cncnc1C)Cc1n[nH]c(=O)[n-]1 ZINC001403810512 995710468 /nfs/dbraw/zinc/71/04/68/995710468.db2.gz FEPFIUFPWSCQLN-UHFFFAOYSA-N -1 0 305.342 -0.139 20 0 DBADRM CCN(CCNC(=O)C[C@H]1CCCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001403867989 995743392 /nfs/dbraw/zinc/74/33/92/995743392.db2.gz FPFLBCRYJRJJQJ-SNVBAGLBSA-N -1 0 324.385 -0.493 20 0 DBADRM COCCN(CCNC(=O)c1cocn1)Cc1n[nH]c(=O)[n-]1 ZINC001403972097 995792730 /nfs/dbraw/zinc/79/27/30/995792730.db2.gz MMQWRKWUSRPCKA-UHFFFAOYSA-N -1 0 310.314 -0.623 20 0 DBADRM CC(C)[C@H](F)C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001404030229 995806286 /nfs/dbraw/zinc/80/62/86/995806286.db2.gz UXVKHTRFOZXRRY-KOLCDFICSA-N -1 0 317.365 -0.245 20 0 DBADRM O=C(Cn1ccnc1)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001404031481 995806135 /nfs/dbraw/zinc/80/61/35/995806135.db2.gz WIYCXAZEILLJMM-SNVBAGLBSA-N -1 0 305.342 -0.512 20 0 DBADRM O=C(CCc1nnc[nH]1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404066726 995812537 /nfs/dbraw/zinc/81/25/37/995812537.db2.gz MUSXHZGVUKHWSZ-VIFPVBQESA-N -1 0 320.357 -0.801 20 0 DBADRM CCCN(CCNC(=O)c1ncn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001404120976 995821695 /nfs/dbraw/zinc/82/16/95/995821695.db2.gz FHQDQPKEVOBIIU-UHFFFAOYSA-N -1 0 308.346 -0.719 20 0 DBADRM COCC(=O)N[C@H](C)[C@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001404149508 995826724 /nfs/dbraw/zinc/82/67/24/995826724.db2.gz YTDMXRGZNFOGMJ-BDAKNGLRSA-N -1 0 321.337 -0.708 20 0 DBADRM O=C(CC(F)(F)F)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389144664 995872673 /nfs/dbraw/zinc/87/26/73/995872673.db2.gz MLNHQARHXHGJBV-UHFFFAOYSA-N -1 0 321.215 -0.824 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2ccn(C)n2)c1[O-] ZINC001389185684 995888870 /nfs/dbraw/zinc/88/88/70/995888870.db2.gz XHKSEEZYOYMBDS-SSDOTTSWSA-N -1 0 306.326 -0.294 20 0 DBADRM CCO[C@H]1C[C@@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001596847038 1017173542 /nfs/dbraw/zinc/17/35/42/1017173542.db2.gz OLPUGNWIMZSHOG-PHGLEFOZSA-N -1 0 305.352 -0.585 20 0 DBADRM CCn1ncc(C(=O)NC[C@H](C)NC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001389331042 995939194 /nfs/dbraw/zinc/93/91/94/995939194.db2.gz KGQFSEVPMTUNOV-ZETCQYMHSA-N -1 0 321.341 -0.417 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1(C2CC2)CC1 ZINC001389387963 995961711 /nfs/dbraw/zinc/96/17/11/995961711.db2.gz OTWHCQDTMXPCFM-QMMMGPOBSA-N -1 0 323.353 -0.500 20 0 DBADRM CCC(=O)NC[C@@H]1CCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001389570209 996030302 /nfs/dbraw/zinc/03/03/02/996030302.db2.gz DETYOZKLUNRYPA-QMMMGPOBSA-N -1 0 309.326 -0.658 20 0 DBADRM CCO[C@H]1COCC[C@@H]1CC(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001596855970 1017173576 /nfs/dbraw/zinc/17/35/76/1017173576.db2.gz YWKNCGYNGGSHIP-PUHVVEEASA-N -1 0 301.339 -0.088 20 0 DBADRM O=C(CC1CC1)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001389580722 996032279 /nfs/dbraw/zinc/03/22/79/996032279.db2.gz SVYNOXGYQKSLPG-SECBINFHSA-N -1 0 309.326 -0.794 20 0 DBADRM COCC1(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001389846557 996118005 /nfs/dbraw/zinc/11/80/05/996118005.db2.gz GSALSVFPMXYLLY-XYPYZODXSA-N -1 0 323.397 -0.338 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)[C@H](C)CC(N)=O)C2)c1[O-] ZINC001390051357 996173453 /nfs/dbraw/zinc/17/34/53/996173453.db2.gz DNPAYDKUTOLCIV-SSDOTTSWSA-N -1 0 323.353 -0.782 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)[C@@H](C)CC(N)=O)C2)c1[O-] ZINC001390051396 996173756 /nfs/dbraw/zinc/17/37/56/996173756.db2.gz DNPAYDKUTOLCIV-ZETCQYMHSA-N -1 0 323.353 -0.782 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCCc2n[nH]cc21)Cc1n[nH]c(=O)[n-]1 ZINC001390756809 996359874 /nfs/dbraw/zinc/35/98/74/996359874.db2.gz PHHWWVFYVFYSFU-SECBINFHSA-N -1 0 319.369 -0.099 20 0 DBADRM C[C@@H](Oc1cccnc1)C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001390816027 996383129 /nfs/dbraw/zinc/38/31/29/996383129.db2.gz YARGAZFAMMBFFW-SNVBAGLBSA-N -1 0 320.353 -0.079 20 0 DBADRM C[C@@](CNC(=O)C1CC1)(NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001390849846 996393869 /nfs/dbraw/zinc/39/38/69/996393869.db2.gz XEIZPMYTZJLXBO-AWEZNQCLSA-N -1 0 323.353 -0.500 20 0 DBADRM CCN(CCNC(=O)c1cnc2n1CCC2)Cc1n[nH]c(=O)[n-]1 ZINC001390910820 996407294 /nfs/dbraw/zinc/40/72/94/996407294.db2.gz TXLUBUBQMNYJRZ-UHFFFAOYSA-N -1 0 319.369 -0.095 20 0 DBADRM CC[C@@H](OC)C(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[nH]1 ZINC001391055367 996431743 /nfs/dbraw/zinc/43/17/43/996431743.db2.gz XYHIIEUKGVIEDF-WDEREUQCSA-N -1 0 311.386 -0.386 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC001593766685 996447655 /nfs/dbraw/zinc/44/76/55/996447655.db2.gz UZPSBKYVQSQFSL-LBPRGKRZSA-N -1 0 304.368 -0.409 20 0 DBADRM C[C@@H](C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)n1cncn1 ZINC001391155804 996470173 /nfs/dbraw/zinc/47/01/73/996470173.db2.gz HOHZMEPCXKLLIV-VIFPVBQESA-N -1 0 320.357 -0.556 20 0 DBADRM CC(C)C(=O)NC[C@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001391174818 996477039 /nfs/dbraw/zinc/47/70/39/996477039.db2.gz BWLBKOBNMFVAOI-VIFPVBQESA-N -1 0 310.354 -0.376 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)c1ccnnc1 ZINC001391187853 996483253 /nfs/dbraw/zinc/48/32/53/996483253.db2.gz IBRPKKLNICMIFY-UHFFFAOYSA-N -1 0 303.326 -0.305 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccnc(S(C)(=O)=O)n2)C1 ZINC001593795840 996513374 /nfs/dbraw/zinc/51/33/74/996513374.db2.gz RWSNTYDDTUXCFV-GFCCVEGCSA-N -1 0 313.335 -0.183 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC(C)(C(=O)[O-])C1 ZINC001593802167 996527178 /nfs/dbraw/zinc/52/71/78/996527178.db2.gz QJIYLRQIHVWPQI-MRVPVSSYSA-N -1 0 306.384 -0.117 20 0 DBADRM CCC(=O)NC[C@@H](CC(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001391425236 996538347 /nfs/dbraw/zinc/53/83/47/996538347.db2.gz DQXPRNVAYYPUTC-SECBINFHSA-N -1 0 313.358 -0.254 20 0 DBADRM O=C(Cc1cncs1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391486644 996554483 /nfs/dbraw/zinc/55/44/83/996554483.db2.gz IYOYCCGSRZPVLG-UHFFFAOYSA-N -1 0 308.367 -0.243 20 0 DBADRM CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(CCF)C1 ZINC001391606050 996588534 /nfs/dbraw/zinc/58/85/34/996588534.db2.gz ADZWJPCUSAMCEQ-SNVBAGLBSA-N -1 0 315.349 -0.028 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391623097 996595652 /nfs/dbraw/zinc/59/56/52/996595652.db2.gz QLENNRTWKSRLJF-QWRGUYRKSA-N -1 0 324.385 -0.542 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])N[C@@H](C)c1nnnn1C ZINC001391683548 996608023 /nfs/dbraw/zinc/60/80/23/996608023.db2.gz LNZFYZILYWRJFW-DTWKUNHWSA-N -1 0 322.373 -0.194 20 0 DBADRM CC1(C)CC(C(=O)NC[C@H](CO)Nc2ccnc(C(=O)[O-])n2)C1 ZINC001593848427 996619633 /nfs/dbraw/zinc/61/96/33/996619633.db2.gz QLTPMJHROUFSPU-SNVBAGLBSA-N -1 0 322.365 -0.078 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)c2cn[nH]n2)c1[O-] ZINC001391809267 996636679 /nfs/dbraw/zinc/63/66/79/996636679.db2.gz XSYPSYOISWCCHY-UHFFFAOYSA-N -1 0 307.314 -0.614 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CN1CCCCS1(=O)=O ZINC001596872623 1017176154 /nfs/dbraw/zinc/17/61/54/1017176154.db2.gz NTADKLSBLQBTSQ-JTQLQIEISA-N -1 0 322.383 -0.640 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1 ZINC001593869459 996677389 /nfs/dbraw/zinc/67/73/89/996677389.db2.gz YVJMGPPVRJOVMT-BDAKNGLRSA-N -1 0 308.338 -0.468 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC(C)(C)C ZINC001392215539 996755684 /nfs/dbraw/zinc/75/56/84/996755684.db2.gz PAGUTBXBAWIHPZ-SSDOTTSWSA-N -1 0 311.342 -0.047 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)/C=C/CN1CCOCC1 ZINC001596872152 1017176354 /nfs/dbraw/zinc/17/63/54/1017176354.db2.gz DPEHXMSTXKAZKP-ZYOFXKKJSA-N -1 0 300.355 -0.177 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1CCNC(=O)CC1)Cc1n[nH]c(=O)[n-]1 ZINC001392291531 996778350 /nfs/dbraw/zinc/77/83/50/996778350.db2.gz NGMHVMFIBUXPFB-JTQLQIEISA-N -1 0 324.385 -0.683 20 0 DBADRM CC(=O)N(C)CC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001404548359 996815370 /nfs/dbraw/zinc/81/53/70/996815370.db2.gz JKFDTQODMHLWGX-JTQLQIEISA-N -1 0 313.358 -0.302 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H](C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001404631973 996831178 /nfs/dbraw/zinc/83/11/78/996831178.db2.gz LEWJJTKNXIOJRQ-SFYZADRCSA-N -1 0 323.353 -0.094 20 0 DBADRM CC1(C)CN(C(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCO1 ZINC001593926396 996858826 /nfs/dbraw/zinc/85/88/26/996858826.db2.gz DDCOEZXKRCWDMD-NXEZZACHSA-N -1 0 314.338 -0.770 20 0 DBADRM CC1(C)CN(C(=O)CN2[C@@H](C(=O)[O-])CCS2(=O)=O)CCO1 ZINC001593928692 996875816 /nfs/dbraw/zinc/87/58/16/996875816.db2.gz MPJDNUCDIPGREZ-SECBINFHSA-N -1 0 320.367 -0.888 20 0 DBADRM C[C@@H](OCC1CC1)C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404876118 996891541 /nfs/dbraw/zinc/89/15/41/996891541.db2.gz NQMKOWWIQSAXTK-SECBINFHSA-N -1 0 309.370 -0.127 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(CC(=O)N(C)C(C)C)C2)c1[O-] ZINC001404879410 996893099 /nfs/dbraw/zinc/89/30/99/996893099.db2.gz RFQJGCWLAAFTKW-UHFFFAOYSA-N -1 0 323.397 -0.048 20 0 DBADRM C[C@H](CN(C)C(=O)C1CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001404973817 996926741 /nfs/dbraw/zinc/92/67/41/996926741.db2.gz RATSBDQKSSKNOU-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001405082826 996991110 /nfs/dbraw/zinc/99/11/10/996991110.db2.gz SUMSFGKPTPXXOV-VHSXEESVSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@H](CNC(=O)C1CCCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001392520245 996996766 /nfs/dbraw/zinc/99/67/66/996996766.db2.gz KWVQTHJRMDKLIT-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001405093989 996998024 /nfs/dbraw/zinc/99/80/24/996998024.db2.gz AGNODZANYPXGJQ-IWSPIJDZSA-N -1 0 323.353 -0.094 20 0 DBADRM CCN(C(=O)Cn1cncn1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001405202740 997064182 /nfs/dbraw/zinc/06/41/82/997064182.db2.gz RJUSNJVNSPGNKZ-SNVBAGLBSA-N -1 0 320.357 -0.775 20 0 DBADRM CC/C=C(\C)C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001493911605 1016091199 /nfs/dbraw/zinc/09/11/99/1016091199.db2.gz LDSAWBKACQDZIH-LLGDCAAFSA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@H]1COC(=O)C1 ZINC001392655054 997116408 /nfs/dbraw/zinc/11/64/08/997116408.db2.gz XQPDTJKGRQWUGZ-DTWKUNHWSA-N -1 0 311.342 -0.600 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NCc2ccoc2C(=O)[O-])C1=O ZINC001593968676 997121626 /nfs/dbraw/zinc/12/16/26/997121626.db2.gz ICNGUUSFFRNXPV-UHFFFAOYSA-N -1 0 309.278 -0.076 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)OCc2oncc2C(=O)[O-])C1=O ZINC001593968751 997123433 /nfs/dbraw/zinc/12/34/33/997123433.db2.gz MIZDSQZYPAYZIJ-UHFFFAOYSA-N -1 0 311.250 -0.254 20 0 DBADRM Cc1cnn(C)c1C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001392680112 997139866 /nfs/dbraw/zinc/13/98/66/997139866.db2.gz BRICMZAXHDIKMJ-SECBINFHSA-N -1 0 307.358 -0.197 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cnc(C(=O)OC)cn1 ZINC001599192277 997143871 /nfs/dbraw/zinc/14/38/71/997143871.db2.gz HPFPSDSYNUKBGD-AWEZNQCLSA-N -1 0 323.305 -0.031 20 0 DBADRM CC1(C)OCC(CO)(NC(=O)CCSCC(=O)[O-])CO1 ZINC001593972723 997145651 /nfs/dbraw/zinc/14/56/51/997145651.db2.gz CQPDXACTUFFFSY-UHFFFAOYSA-N -1 0 307.368 -0.176 20 0 DBADRM COC[C@]1(C)CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CCO1 ZINC001599194166 997183318 /nfs/dbraw/zinc/18/33/18/997183318.db2.gz BSDAKJVPOAELBG-JSGCOSHPSA-N -1 0 302.371 -0.051 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CC[C@@](OC)(C(=O)[O-])C2)C1=O ZINC001599194197 997184753 /nfs/dbraw/zinc/18/47/53/997184753.db2.gz DOZWMTIKANBHIP-STQMWFEESA-N -1 0 315.326 -0.924 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001493967377 1016102148 /nfs/dbraw/zinc/10/21/48/1016102148.db2.gz PUVBXBZSVBSZEG-SZEHBUNVSA-N -1 0 323.353 -0.675 20 0 DBADRM Cc1cnc(CN2CC[C@@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001392881039 997293550 /nfs/dbraw/zinc/29/35/50/997293550.db2.gz UYOYRGXLYDGBBH-SECBINFHSA-N -1 0 322.325 -0.624 20 0 DBADRM CC(=O)N(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001493990794 1016110219 /nfs/dbraw/zinc/11/02/19/1016110219.db2.gz JIXIHXZMEBIZMB-LLVKDONJSA-N -1 0 324.385 -0.683 20 0 DBADRM CC(=O)NC[C@@H]1CC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001405530093 997309897 /nfs/dbraw/zinc/30/98/97/997309897.db2.gz AOTQLEPOSDTBHW-ZJUUUORDSA-N -1 0 323.353 -0.364 20 0 DBADRM C[C@@H](CNC(=O)C1CC1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001392903943 997310753 /nfs/dbraw/zinc/31/07/53/997310753.db2.gz LNGSJUDJGSAJOS-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)COCC(F)F)c1[O-] ZINC001392954803 997342178 /nfs/dbraw/zinc/34/21/78/997342178.db2.gz AZWSIZHSURIOES-LURJTMIESA-N -1 0 320.296 -0.060 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001393007009 997358021 /nfs/dbraw/zinc/35/80/21/997358021.db2.gz IHIZYIHUGLMMHX-IONNQARKSA-N -1 0 314.317 -0.532 20 0 DBADRM C[C@]1(NC(=O)CN2CCCC2=O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393098596 997414053 /nfs/dbraw/zinc/41/40/53/997414053.db2.gz SLDIYDPOOGJMBG-AWEZNQCLSA-N -1 0 322.369 -0.787 20 0 DBADRM C[C@@]1(NC(=O)CN2CCCC2=O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393098599 997414632 /nfs/dbraw/zinc/41/46/32/997414632.db2.gz SLDIYDPOOGJMBG-CQSZACIVSA-N -1 0 322.369 -0.787 20 0 DBADRM C[C@@]1(NC(=O)CCc2c[nH]cn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393103684 997417990 /nfs/dbraw/zinc/41/79/90/997417990.db2.gz AKPURPMUXMDOGZ-CQSZACIVSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@@]1(NC(=O)CCn2ccnn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393104404 997418525 /nfs/dbraw/zinc/41/85/25/997418525.db2.gz QPCIVDTWLGHWGC-CYBMUJFWSA-N -1 0 320.357 -0.727 20 0 DBADRM CC(=O)N[C@H](C)C[C@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001405922883 997466153 /nfs/dbraw/zinc/46/61/53/997466153.db2.gz YAFYRRYTBJABHQ-BDAKNGLRSA-N -1 0 313.358 -0.111 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)C(C)C ZINC001406008738 997486595 /nfs/dbraw/zinc/48/65/95/997486595.db2.gz QBWHCBCOZJRQNQ-GHMZBOCLSA-N -1 0 313.402 -0.236 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC12CC2 ZINC001393269393 997519136 /nfs/dbraw/zinc/51/91/36/997519136.db2.gz FRAHYGSYZNZMRC-LKFCYVNXSA-N -1 0 307.354 -0.637 20 0 DBADRM CN(CCN(C)C(=O)C[C@H]1CCC(=O)NC1)Cc1n[nH]c(=O)[n-]1 ZINC001406105524 997521902 /nfs/dbraw/zinc/52/19/02/997521902.db2.gz PVQLCNYRJYBMDD-SNVBAGLBSA-N -1 0 324.385 -0.683 20 0 DBADRM CN(CCN(C)C(=O)c1cnc2n1CCC2)Cc1n[nH]c(=O)[n-]1 ZINC001406108118 997525793 /nfs/dbraw/zinc/52/57/93/997525793.db2.gz HQENEVOCUBDSKT-UHFFFAOYSA-N -1 0 319.369 -0.143 20 0 DBADRM O=C(NCC1(O)CN(Cc2cnns2)C1)c1ncccc1O ZINC001393301999 997557652 /nfs/dbraw/zinc/55/76/52/997557652.db2.gz JMYUCZXLARGJIT-UHFFFAOYSA-N -1 0 321.362 -0.385 20 0 DBADRM Cc1conc1CNC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001406211684 997577144 /nfs/dbraw/zinc/57/71/44/997577144.db2.gz KNJPQOKSXOQVHI-VIFPVBQESA-N -1 0 309.326 -0.399 20 0 DBADRM C[C@H]1CCCC[C@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393335116 997595131 /nfs/dbraw/zinc/59/51/31/997595131.db2.gz YRRUQNTWMRSVPI-WDEREUQCSA-N -1 0 323.397 -0.001 20 0 DBADRM C[C@@H]1CCCC[C@@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393335113 997595671 /nfs/dbraw/zinc/59/56/71/997595671.db2.gz YRRUQNTWMRSVPI-MNOVXSKESA-N -1 0 323.397 -0.001 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC001406369554 997720847 /nfs/dbraw/zinc/72/08/47/997720847.db2.gz RSMFYFDUAKXTDA-QNSHHTMESA-N -1 0 310.354 -0.229 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCn1ccnc1 ZINC001406640602 997844573 /nfs/dbraw/zinc/84/45/73/997844573.db2.gz AZYAYUWUZWLHJD-SNVBAGLBSA-N -1 0 307.358 -0.266 20 0 DBADRM CC(=O)N(CCO)[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001406745602 997866047 /nfs/dbraw/zinc/86/60/47/997866047.db2.gz UNPSYWZEVVRGML-NSHDSACASA-N -1 0 310.354 -0.131 20 0 DBADRM O=C(CO[C@H]1CCOC1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001406831035 997890442 /nfs/dbraw/zinc/89/04/42/997890442.db2.gz PJVHQUXUTUVVQA-ZJUUUORDSA-N -1 0 311.342 -0.994 20 0 DBADRM CCOCCNC(=O)CN1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001596929478 1017180103 /nfs/dbraw/zinc/18/01/03/1017180103.db2.gz IXZDFRGIZBCZBC-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM CCCCC(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001393947330 997898320 /nfs/dbraw/zinc/89/83/20/997898320.db2.gz SBDZHPOMYYIUOB-UHFFFAOYSA-N -1 0 309.326 -0.244 20 0 DBADRM CCn1cc(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)nn1 ZINC001393977919 997912672 /nfs/dbraw/zinc/91/26/72/997912672.db2.gz DADWAHVQUTURRC-DTWKUNHWSA-N -1 0 322.373 -0.984 20 0 DBADRM O=C(COc1cccnc1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001406885039 997920102 /nfs/dbraw/zinc/92/01/02/997920102.db2.gz ODYRBSMYUUHAFS-SNVBAGLBSA-N -1 0 318.337 -0.325 20 0 DBADRM CCCC(=O)N1CC(N(C)C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001394035185 997936487 /nfs/dbraw/zinc/93/64/87/997936487.db2.gz BDFNKKVPQFAVQM-UHFFFAOYSA-N -1 0 323.353 -0.315 20 0 DBADRM CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001406967000 997961597 /nfs/dbraw/zinc/96/15/97/997961597.db2.gz YLDDMEXMTWFWEY-VWYCJHECSA-N -1 0 323.353 -0.263 20 0 DBADRM COCCN(CCO)C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001599238104 997982781 /nfs/dbraw/zinc/98/27/81/997982781.db2.gz KAQJBCALJAYWTD-UHFFFAOYSA-N -1 0 310.306 -0.209 20 0 DBADRM COCCN(CCO)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001599238106 997983554 /nfs/dbraw/zinc/98/35/54/997983554.db2.gz KARYFAVHEZRYBA-UHFFFAOYSA-N -1 0 306.340 -0.647 20 0 DBADRM COC[C@H](C)C(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001407036178 997984786 /nfs/dbraw/zinc/98/47/86/997984786.db2.gz HCLDARWSTJYGQN-VIFPVBQESA-N -1 0 310.354 -0.009 20 0 DBADRM COCCN(CCNC(=O)C(C)(F)F)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599238513 997991965 /nfs/dbraw/zinc/99/19/65/997991965.db2.gz MIXYGSDMAIAWEK-DTWKUNHWSA-N -1 0 322.308 -0.047 20 0 DBADRM C[C@H](CNC(=O)Cc1cncn1C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001394121778 997992025 /nfs/dbraw/zinc/99/20/25/997992025.db2.gz HGVODKFIPOMISI-SECBINFHSA-N -1 0 307.358 -0.577 20 0 DBADRM COCCN(CCNC(=O)C(C)(F)F)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001599238512 997992072 /nfs/dbraw/zinc/99/20/72/997992072.db2.gz MIXYGSDMAIAWEK-BDAKNGLRSA-N -1 0 322.308 -0.047 20 0 DBADRM CCOCCn1cc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1 ZINC001596945375 1017180853 /nfs/dbraw/zinc/18/08/53/1017180853.db2.gz ZJNGIVNLXSCLCF-ZYHUDNBSSA-N -1 0 311.338 -0.173 20 0 DBADRM COCCN1C[C@H](C(=O)Nc2c(C(=O)[O-])c(C)nn2C)CC1=O ZINC001599239379 998008445 /nfs/dbraw/zinc/00/84/45/998008445.db2.gz AOLPGMUHMFRXIT-SECBINFHSA-N -1 0 324.337 -0.140 20 0 DBADRM COCCN1C[C@H](C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])CC1=O ZINC001599239414 998008904 /nfs/dbraw/zinc/00/89/04/998008904.db2.gz BRPKKCYGIDLLGG-UMNHJUIQSA-N -1 0 314.338 -0.913 20 0 DBADRM C[C@@H](C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001407183132 998058665 /nfs/dbraw/zinc/05/86/65/998058665.db2.gz UXQSYVDVFDQSKS-ZANVPECISA-N -1 0 320.357 -0.556 20 0 DBADRM CC1(C)CC[C@H]1C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407361720 998133553 /nfs/dbraw/zinc/13/35/53/998133553.db2.gz HYUBZPUCOBOACI-ZUZCIYMTSA-N -1 0 323.397 -0.001 20 0 DBADRM CC(F)(F)CC(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407365829 998136087 /nfs/dbraw/zinc/13/60/87/998136087.db2.gz PZBCOBCGVWVEMD-GFCCVEGCSA-N -1 0 319.312 -0.391 20 0 DBADRM CCOCCOC[C@@H](O)CNC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001596934087 1017181632 /nfs/dbraw/zinc/18/16/32/1017181632.db2.gz HCIJQXSVZFLNSC-NEPJUHHUSA-N -1 0 316.354 -0.127 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NCc1cscn1 ZINC001394504195 998170218 /nfs/dbraw/zinc/17/02/18/998170218.db2.gz GUDJUNTZWIQXDN-SSDOTTSWSA-N -1 0 324.366 -0.010 20 0 DBADRM CCOCCS(=O)(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001596943856 1017181691 /nfs/dbraw/zinc/18/16/91/1017181691.db2.gz DQPPOEBRDHIQSN-LLVKDONJSA-N -1 0 305.356 -0.318 20 0 DBADRM CC(C)(F)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001407461532 998211913 /nfs/dbraw/zinc/21/19/13/998211913.db2.gz GVVJYAADPATVCD-MRVPVSSYSA-N -1 0 301.322 -0.425 20 0 DBADRM CC(F)(F)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001407461569 998212269 /nfs/dbraw/zinc/21/22/69/998212269.db2.gz GZXFFGIKCJMZHY-ZETCQYMHSA-N -1 0 305.285 -0.518 20 0 DBADRM O=C(CC(F)(F)F)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001407466717 998215002 /nfs/dbraw/zinc/21/50/02/998215002.db2.gz ORQWJMWLKYPGIS-ZETCQYMHSA-N -1 0 323.275 -0.220 20 0 DBADRM CC(C)[C@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407466312 998215207 /nfs/dbraw/zinc/21/52/07/998215207.db2.gz PEASAOKESTXAPO-NXEZZACHSA-N -1 0 309.370 -0.535 20 0 DBADRM CN(C)C(=O)C1(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)CC1 ZINC001494238354 1016200411 /nfs/dbraw/zinc/20/04/11/1016200411.db2.gz QSZYFVFNTLGICI-DTORHVGOSA-N -1 0 320.353 -0.950 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001599150633 998291716 /nfs/dbraw/zinc/29/17/16/998291716.db2.gz WTCAQXZGNRGARQ-CMPLNLGQSA-N -1 0 324.399 -0.884 20 0 DBADRM O=C(Cc1ccccc1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001394620459 998298277 /nfs/dbraw/zinc/29/82/77/998298277.db2.gz UQTNACYFGUZHAO-LLVKDONJSA-N -1 0 305.338 -0.680 20 0 DBADRM C[C@H](CC(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)n1cccc1 ZINC001394640345 998330495 /nfs/dbraw/zinc/33/04/95/998330495.db2.gz BRGKGHXFVHSOIP-GHMZBOCLSA-N -1 0 322.369 -0.470 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2cn(C)nn2)c1[O-] ZINC001408111980 998501972 /nfs/dbraw/zinc/50/19/72/998501972.db2.gz HNJYWEBOYLQOCJ-ZCFIWIBFSA-N -1 0 307.314 -0.899 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@H]2CC(=O)N(C)C2)c1[O-] ZINC001408194756 998547231 /nfs/dbraw/zinc/54/72/31/998547231.db2.gz GXTFOBUEISYGJK-APPZFPTMSA-N -1 0 323.353 -0.863 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC2(CC2)C1 ZINC001408265155 998580150 /nfs/dbraw/zinc/58/01/50/998580150.db2.gz WRHDGFBHMSVBIF-ZETCQYMHSA-N -1 0 321.337 -0.293 20 0 DBADRM CCCC(=O)N1CC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001408364406 998613795 /nfs/dbraw/zinc/61/37/95/998613795.db2.gz NGTCBOQMAMRVQG-SECBINFHSA-N -1 0 311.342 -0.546 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001408364019 998614001 /nfs/dbraw/zinc/61/40/01/998614001.db2.gz GDRMKMIUYLWAEU-SNVBAGLBSA-N -1 0 323.353 -0.862 20 0 DBADRM C[C@@H](CNC(=O)C(C)(C)C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001395169254 998625390 /nfs/dbraw/zinc/62/53/90/998625390.db2.gz LPGILAZOOSALOL-ZETCQYMHSA-N -1 0 311.342 -0.094 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNC(=O)Cc2nc[nH]n2)c1[O-] ZINC001395181178 998628248 /nfs/dbraw/zinc/62/82/48/998628248.db2.gz JRHJHAGZGLAAKU-ZETCQYMHSA-N -1 0 321.341 -0.639 20 0 DBADRM CC(=O)NCC(=O)N1CC([C@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001395271470 998647770 /nfs/dbraw/zinc/64/77/70/998647770.db2.gz BWMYTKBYXMRQHC-ZETCQYMHSA-N -1 0 323.353 -0.863 20 0 DBADRM CC(C)C(=O)N[C@@H](C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001395275124 998648211 /nfs/dbraw/zinc/64/82/11/998648211.db2.gz NMYORIHSNQYEDT-ZETCQYMHSA-N -1 0 309.326 -0.485 20 0 DBADRM CC(C)C(=O)NCCN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001408523493 998648917 /nfs/dbraw/zinc/64/89/17/998648917.db2.gz ALLSSABDSKWNCJ-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1ccoc1 ZINC001395630613 998697601 /nfs/dbraw/zinc/69/76/01/998697601.db2.gz QVMTYLOXPQFFKA-MRVPVSSYSA-N -1 0 323.309 -0.441 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)CCC2CC2)c1[O-] ZINC001395709433 998731994 /nfs/dbraw/zinc/73/19/94/998731994.db2.gz XERXYXODQMUSKT-SNVBAGLBSA-N -1 0 310.354 -0.179 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])[C@H]1C ZINC001395835063 998792771 /nfs/dbraw/zinc/79/27/71/998792771.db2.gz AKPIKGVKMXDSRD-WCBMZHEXSA-N -1 0 323.353 -0.721 20 0 DBADRM CC(C)C(=O)N1CC[C@H]1CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001396516173 998871688 /nfs/dbraw/zinc/87/16/88/998871688.db2.gz VGEKBGBAQUDZGM-VIFPVBQESA-N -1 0 311.342 -0.595 20 0 DBADRM O=C(C1CC1)N1CCC[C@@H](N(CCO)Cc2n[nH]c(=O)[n-]2)C1 ZINC001397218085 998995050 /nfs/dbraw/zinc/99/50/50/998995050.db2.gz SBPXBIFRCXYQII-LLVKDONJSA-N -1 0 309.370 -0.294 20 0 DBADRM O=C(C1CC1)N1CCC[C@H](N(CCO)Cc2n[nH]c(=O)[n-]2)C1 ZINC001397218095 998995538 /nfs/dbraw/zinc/99/55/38/998995538.db2.gz SBPXBIFRCXYQII-NSHDSACASA-N -1 0 309.370 -0.294 20 0 DBADRM CCC1(C(=O)N[C@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001397225956 998997169 /nfs/dbraw/zinc/99/71/69/998997169.db2.gz MBALHTROLJWFPD-KYZUINATSA-N -1 0 323.353 -0.357 20 0 DBADRM COC[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-] ZINC001397321910 999012645 /nfs/dbraw/zinc/01/26/45/999012645.db2.gz DQPFHZCCYHPPBM-CPOMMVLXSA-N -1 0 322.365 -0.107 20 0 DBADRM CC[C@H](C)CC(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397518317 999069425 /nfs/dbraw/zinc/06/94/25/999069425.db2.gz OIOWDELIORJEQA-IUCAKERBSA-N -1 0 313.358 -0.254 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)C[C@H]1CCC(=O)N1 ZINC001397565496 999082010 /nfs/dbraw/zinc/08/20/10/999082010.db2.gz CRZMXBRDWFHABR-NXEZZACHSA-N -1 0 322.369 -0.788 20 0 DBADRM C[C@@H](CC(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001397981256 999188405 /nfs/dbraw/zinc/18/84/05/999188405.db2.gz ZMLKHMLBBQHIJG-QMMMGPOBSA-N -1 0 323.353 -0.093 20 0 DBADRM CC(C)[C@@H](F)C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001398003946 999193109 /nfs/dbraw/zinc/19/31/09/999193109.db2.gz RTKGJXLFQYMVBS-SSDOTTSWSA-N -1 0 315.305 -0.535 20 0 DBADRM CC(F)(F)C(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001398248636 999229514 /nfs/dbraw/zinc/22/95/14/999229514.db2.gz QVNZLMSMHVBUDU-UHFFFAOYSA-N -1 0 318.328 -0.601 20 0 DBADRM CC1(C)C[C@H]1C(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001398268038 999233123 /nfs/dbraw/zinc/23/31/23/999233123.db2.gz CGERABNWOWHTOG-NSHDSACASA-N -1 0 322.413 -0.210 20 0 DBADRM CNC(=O)CCCCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001494515576 1016304256 /nfs/dbraw/zinc/30/42/56/1016304256.db2.gz VWJREQYJPDGSCL-UHFFFAOYSA-N -1 0 310.358 -0.883 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N1CC(NC(=O)[C@H](O)C(C)C)C1 ZINC001398590109 999309377 /nfs/dbraw/zinc/30/93/77/999309377.db2.gz QUBUERJBSUGOLL-LLVKDONJSA-N -1 0 308.338 -0.552 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)CCn3cccn3)C2)nc1=O ZINC001398597807 999311285 /nfs/dbraw/zinc/31/12/85/999311285.db2.gz HUZQDGKLJHWACY-PHIMTYICSA-N -1 0 319.369 -0.868 20 0 DBADRM CC(C)CCC(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001398801147 999358761 /nfs/dbraw/zinc/35/87/61/999358761.db2.gz MEYCVYOYELEAMQ-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM CC[C@H](CNC(=O)C(C)(F)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001398888511 999371560 /nfs/dbraw/zinc/37/15/60/999371560.db2.gz SDOXEWCFBSLHEH-ZCFIWIBFSA-N -1 0 321.284 -0.645 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)Cn2cncn2)c1[O-] ZINC001399333340 999414188 /nfs/dbraw/zinc/41/41/88/999414188.db2.gz BOUPJJVDLSVMBA-MRVPVSSYSA-N -1 0 321.341 -0.802 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)[C@@H]2CCOC2)c1[O-] ZINC001399358111 999417757 /nfs/dbraw/zinc/41/77/57/999417757.db2.gz TZAUFJUSKHRALQ-WCBMZHEXSA-N -1 0 310.354 -0.058 20 0 DBADRM CC(C)C(=O)N[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)C ZINC001399601699 999451219 /nfs/dbraw/zinc/45/12/19/999451219.db2.gz GRCOWPHGVXCWQP-MRVPVSSYSA-N -1 0 311.342 -0.191 20 0 DBADRM CN(C/C=C\Cl)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001399608501 999452030 /nfs/dbraw/zinc/45/20/30/999452030.db2.gz PDVQMMMNBAGQNK-IHWYPQMZSA-N -1 0 324.772 -0.128 20 0 DBADRM COc1cccnc1C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001399641304 999456147 /nfs/dbraw/zinc/45/61/47/999456147.db2.gz CLJVERGZFVWSDS-UHFFFAOYSA-N -1 0 306.326 -0.224 20 0 DBADRM Cn1nccc1CCC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001494556998 1016319200 /nfs/dbraw/zinc/31/92/00/1016319200.db2.gz BBCFYBZUOLLXJB-UHFFFAOYSA-N -1 0 319.369 -0.575 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)c2ncn(C)n2)c1[O-] ZINC001399676563 999462799 /nfs/dbraw/zinc/46/27/99/999462799.db2.gz CILLZWCVSYLANY-UHFFFAOYSA-N -1 0 321.341 -0.604 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(C)F ZINC001399854472 999506407 /nfs/dbraw/zinc/50/64/07/999506407.db2.gz JWWGLWYXLBXWAW-ZCFIWIBFSA-N -1 0 303.294 -0.942 20 0 DBADRM O=C(CN1CCCC1=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001399899486 999519557 /nfs/dbraw/zinc/51/95/57/999519557.db2.gz OEBDMGXRFPKYPC-SNVBAGLBSA-N -1 0 322.369 -0.929 20 0 DBADRM CCNC(=O)CCC(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001399910984 999522275 /nfs/dbraw/zinc/52/22/75/999522275.db2.gz ZWAYHAAOSBMQDM-JTQLQIEISA-N -1 0 324.385 -0.635 20 0 DBADRM CS[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001400139968 999569581 /nfs/dbraw/zinc/56/95/81/999569581.db2.gz WUTOEJPMURBYCC-NTSWFWBYSA-N -1 0 315.355 -0.731 20 0 DBADRM CS[C@@H](C)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001400262570 999595898 /nfs/dbraw/zinc/59/58/98/999595898.db2.gz KTGNXAHDLNXPLX-WDSKDSINSA-N -1 0 315.355 -0.731 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001400268450 999596754 /nfs/dbraw/zinc/59/67/54/999596754.db2.gz KHOKSZRDCHVTBH-NKWVEPMBSA-N -1 0 303.294 -0.942 20 0 DBADRM CC(C)C(=O)NC[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001400272489 999598068 /nfs/dbraw/zinc/59/80/68/999598068.db2.gz VTCMTZCFEYQBNA-VIFPVBQESA-N -1 0 320.353 -0.652 20 0 DBADRM CC[C@H](C)NC(=O)CN1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001400339652 999608372 /nfs/dbraw/zinc/60/83/72/999608372.db2.gz YUJPQRFUGDRGPQ-QMMMGPOBSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC1CN(CCCF)C1 ZINC001400352166 999610013 /nfs/dbraw/zinc/61/00/13/999610013.db2.gz BGADCUYDEUSOTE-UHFFFAOYSA-N -1 0 301.322 -0.371 20 0 DBADRM CCOc1ncccc1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001597198154 1017189754 /nfs/dbraw/zinc/18/97/54/1017189754.db2.gz RFHRNXRIFCHNMU-JTQLQIEISA-N -1 0 307.306 -0.152 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001597216251 1017190352 /nfs/dbraw/zinc/19/03/52/1017190352.db2.gz YLVODXWHQFKYLY-VHSXEESVSA-N -1 0 322.383 -0.594 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC001597224043 1017190376 /nfs/dbraw/zinc/19/03/76/1017190376.db2.gz ILDHUTSQJNCHSK-QTZUAFFRSA-N -1 0 304.368 -0.078 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001597223965 1017190571 /nfs/dbraw/zinc/19/05/71/1017190571.db2.gz FJDNKQINTCGXOU-LPEHRKFASA-N -1 0 306.384 -0.117 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](COC)C(=O)[O-])C1 ZINC001597221469 1017190581 /nfs/dbraw/zinc/19/05/81/1017190581.db2.gz OYZDNCRXNQGUHC-VHSXEESVSA-N -1 0 322.383 -0.736 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@](C)(COC)CC(=O)[O-] ZINC001597224106 1017190646 /nfs/dbraw/zinc/19/06/46/1017190646.db2.gz KVPDPBIXDNHYIX-GZMMTYOYSA-N -1 0 310.372 -0.690 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001597224635 1017190665 /nfs/dbraw/zinc/19/06/65/1017190665.db2.gz ZOXBOAYDUMAXOL-HRDYMLBCSA-N -1 0 308.356 -0.985 20 0 DBADRM CCS(=O)(=O)CCN(C)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001597209451 1017188799 /nfs/dbraw/zinc/18/87/99/1017188799.db2.gz HPKQYQDXBXKNRD-UHFFFAOYSA-N -1 0 313.397 -0.453 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001597213527 1017188808 /nfs/dbraw/zinc/18/88/08/1017188808.db2.gz HTWSCERDPJPXKO-PTRXPTGYSA-N -1 0 304.368 -0.026 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001597215809 1017189025 /nfs/dbraw/zinc/18/90/25/1017189025.db2.gz HIKURRDYTYLLIT-LLVKDONJSA-N -1 0 308.356 -0.982 20 0 DBADRM C/C(=C/C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001494619590 1016351267 /nfs/dbraw/zinc/35/12/67/1016351267.db2.gz OPKTUHXRORAEDD-GRKOMRHMSA-N -1 0 321.337 -0.126 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](CCF)C(=O)[O-])C1 ZINC001597221877 1017191203 /nfs/dbraw/zinc/19/12/03/1017191203.db2.gz UNEXYEIXOAPJQV-UWVGGRQHSA-N -1 0 324.374 -0.023 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001597224389 1017191351 /nfs/dbraw/zinc/19/13/51/1017191351.db2.gz VFHLEWCZIBQFAS-LURJTMIESA-N -1 0 304.328 -0.615 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](COC)C(=O)[O-])C1 ZINC001597221468 1017191103 /nfs/dbraw/zinc/19/11/03/1017191103.db2.gz OYZDNCRXNQGUHC-UWVGGRQHSA-N -1 0 322.383 -0.736 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001597224449 1017191815 /nfs/dbraw/zinc/19/18/15/1017191815.db2.gz WKXSNUMBMKFNHD-LNLATYFQSA-N -1 0 304.368 -0.220 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC001597225221 1017193009 /nfs/dbraw/zinc/19/30/09/1017193009.db2.gz OFQFDEGOWDJCBN-IQJOONFLSA-N -1 0 304.368 -0.363 20 0 DBADRM CCSc1c[nH]c(=O)c(C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001597268420 1017194844 /nfs/dbraw/zinc/19/48/44/1017194844.db2.gz YYTSCNUCEROTCG-UHFFFAOYSA-N -1 0 313.335 -0.170 20 0 DBADRM C[C@@H](CNC(=O)C1CC=CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001494654009 1016370819 /nfs/dbraw/zinc/37/08/19/1016370819.db2.gz ZNCZWTNQXCCSQW-QMMMGPOBSA-N -1 0 309.326 -0.724 20 0 DBADRM CCS(=O)(=O)NC1CCN(Cn2cnc(C(=O)[O-])n2)CC1 ZINC001597225632 1017193802 /nfs/dbraw/zinc/19/38/02/1017193802.db2.gz UKQXXQLHNZATJK-UHFFFAOYSA-N -1 0 317.371 -0.663 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001597321760 1017196804 /nfs/dbraw/zinc/19/68/04/1017196804.db2.gz DPTBKVJPNFFYBE-LSJOCFKGSA-N -1 0 311.342 -0.602 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001591036239 1016376484 /nfs/dbraw/zinc/37/64/84/1016376484.db2.gz RIDBJAQJTNCZHU-VIFPVBQESA-N -1 0 318.355 -0.369 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001591036005 1016376647 /nfs/dbraw/zinc/37/66/47/1016376647.db2.gz OAQPQMVGJCNEHB-GUBZILKMSA-N -1 0 322.383 -0.739 20 0 DBADRM CC(C)CC(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001591105164 1016386188 /nfs/dbraw/zinc/38/61/88/1016386188.db2.gz OVNUGLBUZRGNIC-MNOVXSKESA-N -1 0 312.366 -0.167 20 0 DBADRM CN(CCOCCO)C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591115768 1016391272 /nfs/dbraw/zinc/39/12/72/1016391272.db2.gz VUBCJAYWBXHKRT-UHFFFAOYSA-N -1 0 307.310 -0.347 20 0 DBADRM CCc1ccc(C(=O)N[C@H](CO)C(=O)[O-])cc1S(C)(=O)=O ZINC001597500414 1017201732 /nfs/dbraw/zinc/20/17/32/1017201732.db2.gz LWTSUJSDBPWWLS-SNVBAGLBSA-N -1 0 315.347 -0.172 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C)/C=C\C(=O)[O-] ZINC001591108965 1016391223 /nfs/dbraw/zinc/39/12/23/1016391223.db2.gz PTPZIAYQCLYFPE-BYIQDMNASA-N -1 0 313.354 -0.462 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C)CC(=O)[O-] ZINC001591109241 1016392781 /nfs/dbraw/zinc/39/27/81/1016392781.db2.gz ZEVGSALVXZWOSE-BDAKNGLRSA-N -1 0 301.343 -0.628 20 0 DBADRM CC(C)C[C@@H](C(N)=O)C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001591124313 1016393255 /nfs/dbraw/zinc/39/32/55/1016393255.db2.gz NCPLYYGZLSITMX-VIFPVBQESA-N -1 0 323.353 -0.728 20 0 DBADRM Cc1nc[nH]c1CC(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001420703770 1000211890 /nfs/dbraw/zinc/21/18/90/1000211890.db2.gz KEWVHQFTUZBOAH-UHFFFAOYSA-N -1 0 319.369 -0.135 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)Cc2cnoc2)c1[O-] ZINC001408549681 1000220221 /nfs/dbraw/zinc/22/02/21/1000220221.db2.gz RVTIHRKKQNLIBL-UHFFFAOYSA-N -1 0 307.310 -0.157 20 0 DBADRM CN(Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCC2)S(C)(=O)=O ZINC001591153684 1016395661 /nfs/dbraw/zinc/39/56/61/1016395661.db2.gz BOVQAUAIVKRMIX-UHFFFAOYSA-N -1 0 324.366 -0.634 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)CC1CCC1 ZINC001408639592 1000255383 /nfs/dbraw/zinc/25/53/83/1000255383.db2.gz MXQIXUVSLJIIEL-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM CN(c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)[C@H]1CCSC1 ZINC001591154692 1016398269 /nfs/dbraw/zinc/39/82/69/1016398269.db2.gz FGUSLIOOHDRFTK-LURJTMIESA-N -1 0 309.355 -0.805 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1cc(-c2nn[nH]n2)ccc1F ZINC001591154160 1016398886 /nfs/dbraw/zinc/39/88/86/1016398886.db2.gz RVGGBEMIHACTCQ-UHFFFAOYSA-N -1 0 319.256 -0.046 20 0 DBADRM CN(c1ccc(-c2nn[nH]n2)nn1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001591157003 1016399102 /nfs/dbraw/zinc/39/91/02/1016399102.db2.gz RNGFSKLYYQHASD-QMMMGPOBSA-N -1 0 324.370 -0.873 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCN2CCOC[C@@H]2C1)C(=O)[O-] ZINC001591168434 1016404029 /nfs/dbraw/zinc/40/40/29/1016404029.db2.gz YEOXNEZWKDTQCY-QWHCGFSZSA-N -1 0 313.398 -0.382 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)c1ccc[nH]1 ZINC001408775764 1000293386 /nfs/dbraw/zinc/29/33/86/1000293386.db2.gz ONXQFXSLHNYMAJ-UHFFFAOYSA-N -1 0 322.325 -0.704 20 0 DBADRM CCN(CCNC(=O)Cc1ncc[nH]1)C(=O)c1n[nH]c(C)c1[O-] ZINC001408786217 1000297315 /nfs/dbraw/zinc/29/73/15/1000297315.db2.gz AKTBZUJRNITMKQ-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NCc3nncn3C)CC2)c1[O-] ZINC001420928644 1000298974 /nfs/dbraw/zinc/29/89/74/1000298974.db2.gz MCVJTKPRDLBXJE-UHFFFAOYSA-N -1 0 305.342 -0.396 20 0 DBADRM Cn1ccc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)cc1=O ZINC001420951235 1000308387 /nfs/dbraw/zinc/30/83/87/1000308387.db2.gz DVQVAYNQIRPPBK-UHFFFAOYSA-N -1 0 318.337 -0.739 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)[C@H]1CCCC(=O)N1)C(=O)[O-] ZINC001591169529 1016405102 /nfs/dbraw/zinc/40/51/02/1016405102.db2.gz IGJHUKZEIKHHRY-ZJUUUORDSA-N -1 0 314.338 -0.186 20 0 DBADRM COC[C@H](OC)C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001409105727 1000365721 /nfs/dbraw/zinc/36/57/21/1000365721.db2.gz FEEWCPTYDYRZLF-VIFPVBQESA-N -1 0 312.326 -0.974 20 0 DBADRM CO[C@@H](C)C(=O)NCC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001421111230 1000367774 /nfs/dbraw/zinc/36/77/74/1000367774.db2.gz JFUALRVVGCBYPW-JTQLQIEISA-N -1 0 319.365 -0.395 20 0 DBADRM Cn1cncc1CC(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421230162 1000417460 /nfs/dbraw/zinc/41/74/60/1000417460.db2.gz VYPGRWFUOKLUQP-AWEZNQCLSA-N -1 0 319.369 -0.433 20 0 DBADRM COCC(=O)N(C)[C@@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001421293967 1000431845 /nfs/dbraw/zinc/43/18/45/1000431845.db2.gz SBDILNDOMJXBGV-GFCCVEGCSA-N -1 0 319.365 -0.298 20 0 DBADRM COCC(=O)N(C)[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001421293971 1000433263 /nfs/dbraw/zinc/43/32/63/1000433263.db2.gz SBDILNDOMJXBGV-LBPRGKRZSA-N -1 0 319.365 -0.298 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H](F)CC ZINC001409400619 1000449031 /nfs/dbraw/zinc/44/90/31/1000449031.db2.gz QBAHNBBYDNONHJ-YUMQZZPRSA-N -1 0 317.321 -0.552 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)[C@@H](C)c2nnnn2C)c1[O-] ZINC001409539162 1000470195 /nfs/dbraw/zinc/47/01/95/1000470195.db2.gz GRRYRVCGWAEEST-APPZFPTMSA-N -1 0 322.373 -0.241 20 0 DBADRM CCn1ccc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001409639161 1000493251 /nfs/dbraw/zinc/49/32/51/1000493251.db2.gz QKUMAWPPTCFMMR-VIFPVBQESA-N -1 0 307.358 -0.023 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)C1=CCCC1 ZINC001409674489 1000504572 /nfs/dbraw/zinc/50/45/72/1000504572.db2.gz GLZMZJYGLUCJKK-SECBINFHSA-N -1 0 323.353 -0.332 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)Cn2nccn2)c1[O-] ZINC001409691432 1000509446 /nfs/dbraw/zinc/50/94/46/1000509446.db2.gz AGDDWSXFIVYHRQ-MRVPVSSYSA-N -1 0 321.341 -0.802 20 0 DBADRM CO[C@@H](C)CN1CC(CCO)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001409706741 1000514891 /nfs/dbraw/zinc/51/48/91/1000514891.db2.gz HQZWDXVLZDKYCZ-VIFPVBQESA-N -1 0 312.370 -0.375 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)CNC(=O)C1(C)CC1 ZINC001409718090 1000519302 /nfs/dbraw/zinc/51/93/02/1000519302.db2.gz LSRQJPSAWLBJKW-VIFPVBQESA-N -1 0 322.365 -0.232 20 0 DBADRM COc1ccc(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001421490856 1000530388 /nfs/dbraw/zinc/53/03/88/1000530388.db2.gz CBJASOIQUBBYEV-UHFFFAOYSA-N -1 0 323.309 -0.911 20 0 DBADRM O=C(NCC1(O)CN(CCF)C1)c1ccc2oc(=O)nc-2[n-]1 ZINC001421493883 1000531069 /nfs/dbraw/zinc/53/10/69/1000531069.db2.gz JGMGZDPEVCMHGL-UHFFFAOYSA-N -1 0 310.285 -0.326 20 0 DBADRM CC(=O)NC[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)C ZINC001409877907 1000543804 /nfs/dbraw/zinc/54/38/04/1000543804.db2.gz RFQONALUTSSZKZ-LLVKDONJSA-N -1 0 320.353 -0.652 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001421713168 1000601119 /nfs/dbraw/zinc/60/11/19/1000601119.db2.gz HROXQPUJZFZPKL-HDBBIHSSSA-N -1 0 317.353 -0.914 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001421713167 1000601546 /nfs/dbraw/zinc/60/15/46/1000601546.db2.gz HROXQPUJZFZPKL-ARENWVFISA-N -1 0 317.353 -0.914 20 0 DBADRM CCc1nnsc1C(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597741717 1017204943 /nfs/dbraw/zinc/20/49/43/1017204943.db2.gz RRMATFCYUHUHNE-SFYZADRCSA-N -1 0 324.362 -0.238 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCNC1=O ZINC001597785903 1017205023 /nfs/dbraw/zinc/20/50/23/1017205023.db2.gz TUZMAZRIAPITAN-LURJTMIESA-N -1 0 302.308 -0.293 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001421849060 1000645635 /nfs/dbraw/zinc/64/56/35/1000645635.db2.gz CCYWOUMSOYFLSB-JTQLQIEISA-N -1 0 310.379 -0.111 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)Cc2c[nH]cn2)c1[O-] ZINC001410176254 1000663323 /nfs/dbraw/zinc/66/33/23/1000663323.db2.gz KOHMMPGYYIIXGN-SSDOTTSWSA-N -1 0 306.326 -0.376 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001410275164 1000704967 /nfs/dbraw/zinc/70/49/67/1000704967.db2.gz ZZWLWXILONMESC-IMSYWVGJSA-N -1 0 323.353 -0.644 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2cncnc2)c1[O-] ZINC001410354064 1000734149 /nfs/dbraw/zinc/73/41/49/1000734149.db2.gz ALGMYVVUCLFYOX-ZETCQYMHSA-N -1 0 304.310 -0.238 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)CC(=O)N2CCC2)c1[O-] ZINC001422157472 1000743020 /nfs/dbraw/zinc/74/30/20/1000743020.db2.gz QKPYZQTVTCWJLE-UHFFFAOYSA-N -1 0 309.370 -0.340 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)[C@H](C)C(=O)N(C)C)c1[O-] ZINC001422158094 1000743815 /nfs/dbraw/zinc/74/38/15/1000743815.db2.gz YBIDEPIQTZMISE-SNVBAGLBSA-N -1 0 311.386 -0.096 20 0 DBADRM CN(CCN(C)C(=O)c1cn[nH]c(=O)c1)Cc1n[nH]c(=O)[n-]1 ZINC001422172785 1000751832 /nfs/dbraw/zinc/75/18/32/1000751832.db2.gz AARJGQOGKKWINZ-UHFFFAOYSA-N -1 0 307.314 -0.790 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@H]2CCCC(=O)N2)c1[O-] ZINC001410399578 1000753640 /nfs/dbraw/zinc/75/36/40/1000753640.db2.gz HTBOHTNDUFOAIA-IONNQARKSA-N -1 0 323.353 -0.673 20 0 DBADRM O=C(NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1CCC1 ZINC001422183783 1000755882 /nfs/dbraw/zinc/75/58/82/1000755882.db2.gz JGKAHRFTUDUTQL-UHFFFAOYSA-N -1 0 309.370 -0.247 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001410426760 1000763870 /nfs/dbraw/zinc/76/38/70/1000763870.db2.gz BSDYXVZIROXHMR-RBXMUDONSA-N -1 0 321.337 -0.437 20 0 DBADRM COC(=O)/C(C)=C/Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C)c1=O ZINC001591228515 1016440154 /nfs/dbraw/zinc/44/01/54/1016440154.db2.gz LWIMBVUHBMIFLU-FNORWQNLSA-N -1 0 320.309 -0.845 20 0 DBADRM Cc1ccc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)s1 ZINC001410553502 1000802405 /nfs/dbraw/zinc/80/24/05/1000802405.db2.gz AQOKGTDSZOBETL-QMMMGPOBSA-N -1 0 311.367 -0.239 20 0 DBADRM Cc1cc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)c(C)o1 ZINC001410565328 1000807639 /nfs/dbraw/zinc/80/76/39/1000807639.db2.gz FAZBATXZNZQJEA-SECBINFHSA-N -1 0 309.326 -0.399 20 0 DBADRM CC(C)(C)[C@H]1CNC(=O)CN1Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001422312196 1000819144 /nfs/dbraw/zinc/81/91/44/1000819144.db2.gz SOLMFENSOPWZLZ-SECBINFHSA-N -1 0 319.369 -0.654 20 0 DBADRM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001410609378 1000829202 /nfs/dbraw/zinc/82/92/02/1000829202.db2.gz LHJIFUXZEJYWLK-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM COC(=O)C(C)(C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591227585 1016443586 /nfs/dbraw/zinc/44/35/86/1016443586.db2.gz TYBIDXBTBFOIAB-LURJTMIESA-N -1 0 308.302 -0.913 20 0 DBADRM C[C@@H](CNC(=O)c1cnn2c1CCC2)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422522436 1000893896 /nfs/dbraw/zinc/89/38/96/1000893896.db2.gz VWRGAQAPXBJRFL-VIFPVBQESA-N -1 0 319.369 -0.097 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCNC(=O)CC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422535590 1000899635 /nfs/dbraw/zinc/89/96/35/1000899635.db2.gz GAOZAQRVHZAAMZ-ZJUUUORDSA-N -1 0 324.385 -0.637 20 0 DBADRM COc1ccccc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001410789952 1000909764 /nfs/dbraw/zinc/90/97/64/1000909764.db2.gz UTZPKKIVDGZTAM-VIFPVBQESA-N -1 0 321.337 -0.601 20 0 DBADRM COc1ccc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001422581989 1000917924 /nfs/dbraw/zinc/91/79/24/1000917924.db2.gz LDXJFVOIHWDCEY-MRVPVSSYSA-N -1 0 321.341 -0.441 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)Cc1ncccn1 ZINC001422591075 1000923615 /nfs/dbraw/zinc/92/36/15/1000923615.db2.gz NVYXMJWGZXGJTQ-VIFPVBQESA-N -1 0 321.341 -0.884 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)o2)CN1C ZINC001591247374 1016450754 /nfs/dbraw/zinc/45/07/54/1016450754.db2.gz BMEGADDSILJIRP-YUMQZZPRSA-N -1 0 321.293 -0.138 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1COC[C@H]1O ZINC001597785529 1017205637 /nfs/dbraw/zinc/20/56/37/1017205637.db2.gz JQSXSOWXCLXDSG-RNFRBKRXSA-N -1 0 305.308 -0.422 20 0 DBADRM CN(C(=O)COCC(F)F)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001494838968 1016453221 /nfs/dbraw/zinc/45/32/21/1016453221.db2.gz HGYCEYIXOYIRSA-QMMMGPOBSA-N -1 0 319.312 -0.175 20 0 DBADRM CC(C)CCOCCNC(=O)CN1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC001591256092 1016453477 /nfs/dbraw/zinc/45/34/77/1016453477.db2.gz CLZTUXSKASQEPY-RYUDHWBXSA-N -1 0 302.371 -0.315 20 0 DBADRM COC(=O)CN(C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)C ZINC001591266764 1016456814 /nfs/dbraw/zinc/45/68/14/1016456814.db2.gz VQICUEHYHAEQHE-MRVPVSSYSA-N -1 0 322.329 -0.571 20 0 DBADRM COC(=O)CNS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001591267642 1016462704 /nfs/dbraw/zinc/46/27/04/1016462704.db2.gz YNKKVUOMBSTKIR-UHFFFAOYSA-N -1 0 303.325 -0.621 20 0 DBADRM C[C@H](CNC(=O)C1CCC1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001411471438 1001131465 /nfs/dbraw/zinc/13/14/65/1001131465.db2.gz LVVHRUONZIABEK-SECBINFHSA-N -1 0 322.365 -0.137 20 0 DBADRM Cc1cc(CN[C@H](C)CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001423149598 1001138098 /nfs/dbraw/zinc/13/80/98/1001138098.db2.gz OFAULIORMXPLGT-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2COCCO2)c1 ZINC001591287089 1016472190 /nfs/dbraw/zinc/47/21/90/1016472190.db2.gz VHPAUKWIMPQNFG-VIFPVBQESA-N -1 0 321.293 -0.770 20 0 DBADRM CCCNC(=O)CCC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001423158690 1001139057 /nfs/dbraw/zinc/13/90/57/1001139057.db2.gz NWAHNYOUVFCPRJ-JTQLQIEISA-N -1 0 324.385 -0.493 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@H](C)c2nnnn2C)cc1=O ZINC001411569184 1001165450 /nfs/dbraw/zinc/16/54/50/1001165450.db2.gz CQHQQEFTWADEEW-SECBINFHSA-N -1 0 307.358 -0.224 20 0 DBADRM COC(C)(C)[C@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001591317349 1016474085 /nfs/dbraw/zinc/47/40/85/1016474085.db2.gz YWJAGFHXOBRBQQ-ZETCQYMHSA-N -1 0 323.357 -0.511 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001591319785 1016474129 /nfs/dbraw/zinc/47/41/29/1016474129.db2.gz HEEZOAVFCBZUQI-SFYZADRCSA-N -1 0 306.330 -0.970 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001423213236 1001176696 /nfs/dbraw/zinc/17/66/96/1001176696.db2.gz VRTAXARKAXOVRN-QMMMGPOBSA-N -1 0 310.358 -0.837 20 0 DBADRM Cc1cc(CN2CCN(C(=O)CCc3nnn[n-]3)CC2)no1 ZINC001411613137 1001177478 /nfs/dbraw/zinc/17/74/78/1001177478.db2.gz MVFYVTFKGVNKGN-UHFFFAOYSA-N -1 0 305.342 -0.227 20 0 DBADRM O=C(CCc1c[nH]cn1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001423219007 1001181265 /nfs/dbraw/zinc/18/12/65/1001181265.db2.gz VVZQWNUUDVEQEM-UHFFFAOYSA-N -1 0 305.342 -0.395 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001591290075 1016470267 /nfs/dbraw/zinc/47/02/67/1016470267.db2.gz SYGUHIPNPILZMN-JTQLQIEISA-N -1 0 321.399 -0.516 20 0 DBADRM COCCn1cc(NC(=O)CCCn2c(=O)[n-][nH]c2=O)cn1 ZINC001411661445 1001192909 /nfs/dbraw/zinc/19/29/09/1001192909.db2.gz CTYSRXXYRYZACA-UHFFFAOYSA-N -1 0 310.314 -0.049 20 0 DBADRM CO[C@@]1(C)CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001591340084 1016480805 /nfs/dbraw/zinc/48/08/05/1016480805.db2.gz YZVIQEDORHCTAS-ZDUSSCGKSA-N -1 0 321.341 -0.741 20 0 DBADRM CO[C@H](C)C(=O)N[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001591319784 1016475098 /nfs/dbraw/zinc/47/50/98/1016475098.db2.gz HEEZOAVFCBZUQI-HTQZYQBOSA-N -1 0 306.330 -0.970 20 0 DBADRM O=C([C@H]1CCn2ccnc2C1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001411778730 1001223711 /nfs/dbraw/zinc/22/37/11/1001223711.db2.gz POJREZDLPLBMLU-VHSXEESVSA-N -1 0 303.326 -0.441 20 0 DBADRM C[C@@H]1CNc2c(C(=O)N3CCO[C@H](c4nnn[n-]4)C3)cnn2C1 ZINC001411785299 1001227498 /nfs/dbraw/zinc/22/74/98/1001227498.db2.gz ZOHBOAUSRYDXPL-SCZZXKLOSA-N -1 0 318.341 -0.329 20 0 DBADRM C[C@@H]1CNc2c(C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)cnn2C1 ZINC001411785291 1001227568 /nfs/dbraw/zinc/22/75/68/1001227568.db2.gz ZOHBOAUSRYDXPL-PSASIEDQSA-N -1 0 318.341 -0.329 20 0 DBADRM COC(=O)c1cnc(Cn2cccc(-c3nnn[n-]3)c2=O)cn1 ZINC001591305994 1016475970 /nfs/dbraw/zinc/47/59/70/1016475970.db2.gz WFYULTAIZVIXPP-UHFFFAOYSA-N -1 0 313.277 -0.347 20 0 DBADRM COC[C@@](C)(CC(=O)OC)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001411850540 1001235774 /nfs/dbraw/zinc/23/57/74/1001235774.db2.gz SSFKCFFFGDYYNL-LLVKDONJSA-N -1 0 318.355 -0.313 20 0 DBADRM CCOC(=O)N1CSC[C@@H]1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001411881998 1001241681 /nfs/dbraw/zinc/24/16/81/1001241681.db2.gz HQTFJEYECANDEF-ZCFIWIBFSA-N -1 0 301.328 -0.342 20 0 DBADRM CS[C@H](CO)[C@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001411907405 1001246659 /nfs/dbraw/zinc/24/66/59/1001246659.db2.gz KEVGIHNZIBWANS-GZMMTYOYSA-N -1 0 322.394 -0.083 20 0 DBADRM CS[C@@H](CO)[C@@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001411907407 1001246805 /nfs/dbraw/zinc/24/68/05/1001246805.db2.gz KEVGIHNZIBWANS-KCJUWKMLSA-N -1 0 322.394 -0.083 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001411912002 1001249002 /nfs/dbraw/zinc/24/90/02/1001249002.db2.gz UKOCRXZVVOQOAV-BXKDBHETSA-N -1 0 318.337 -0.703 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]c1nn(C)c(C)c1-c1nn[nH]n1 ZINC001591324491 1016478256 /nfs/dbraw/zinc/47/82/56/1016478256.db2.gz NUDBIKFCSYHVJW-ZCFIWIBFSA-N -1 0 315.359 -0.315 20 0 DBADRM O=C(C[C@@H]1CCCS1(=O)=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001411939439 1001257806 /nfs/dbraw/zinc/25/78/06/1001257806.db2.gz REUWVLQOJKRWCV-UWVGGRQHSA-N -1 0 313.383 -0.127 20 0 DBADRM CC(C)CN(CC(N)=O)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001591320489 1016478873 /nfs/dbraw/zinc/47/88/73/1016478873.db2.gz IRCIMXCGYYGWCK-SNVBAGLBSA-N -1 0 313.354 -0.721 20 0 DBADRM CC(C)CN(CCC(=O)[O-])C(=O)Cn1ncn2nccc2c1=O ZINC001591324147 1016478923 /nfs/dbraw/zinc/47/89/23/1016478923.db2.gz COXHAMOYPPBCPZ-UHFFFAOYSA-N -1 0 321.337 -0.150 20 0 DBADRM CO[C@H]([C@@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001591325998 1016479074 /nfs/dbraw/zinc/47/90/74/1016479074.db2.gz FUPQEJWFZNINJI-GMSGAONNSA-N -1 0 306.330 -0.612 20 0 DBADRM C[C@@H](CN(C)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)c1nnn[n-]1 ZINC001411993514 1001271702 /nfs/dbraw/zinc/27/17/02/1001271702.db2.gz XVQGTIKZUMRGPP-AEJSXWLSSA-N -1 0 310.358 -0.425 20 0 DBADRM CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)CCCc1nnn[n-]1 ZINC001412000623 1001275078 /nfs/dbraw/zinc/27/50/78/1001275078.db2.gz JIDJFMXEKULBPC-CYBMUJFWSA-N -1 0 313.358 -0.269 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001412022604 1001280555 /nfs/dbraw/zinc/28/05/55/1001280555.db2.gz CKPYYAZADUYVSE-SECBINFHSA-N -1 0 309.363 -0.998 20 0 DBADRM C[C@@H]1CN(C(=O)CCCc2nnn[n-]2)CCS(=O)(=O)C1 ZINC001412025585 1001281628 /nfs/dbraw/zinc/28/16/28/1001281628.db2.gz LIINZQOHZRLYIV-SECBINFHSA-N -1 0 301.372 -0.585 20 0 DBADRM CCO[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@@H]1CCOC1 ZINC001412028517 1001281747 /nfs/dbraw/zinc/28/17/47/1001281747.db2.gz MVSPTDOPEHFTIT-MWLCHTKSSA-N -1 0 322.383 -0.990 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCOC2(CCC2)C1 ZINC001412025347 1001282489 /nfs/dbraw/zinc/28/24/89/1001282489.db2.gz HYIRCAYJCSHAII-SNVBAGLBSA-N -1 0 318.395 -0.082 20 0 DBADRM CC(C)N1CC(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001412031080 1001283338 /nfs/dbraw/zinc/28/33/38/1001283338.db2.gz IXBAVGMOQIMKND-UHFFFAOYSA-N -1 0 301.354 -0.103 20 0 DBADRM C[C@H](C(=O)N1CCC(O)(c2nnn[n-]2)CC1)c1cnccn1 ZINC001412058689 1001290249 /nfs/dbraw/zinc/29/02/49/1001290249.db2.gz UBFVJJFRMFCARM-VIFPVBQESA-N -1 0 303.326 -0.397 20 0 DBADRM CNc1ncc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)s1 ZINC001412056008 1001291022 /nfs/dbraw/zinc/29/10/22/1001291022.db2.gz IQWCBNKTNCGNEJ-UHFFFAOYSA-N -1 0 309.355 -0.178 20 0 DBADRM Cn1ccc(CCC(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001412054599 1001291116 /nfs/dbraw/zinc/29/11/16/1001291116.db2.gz DSGLUILIQNJETI-UHFFFAOYSA-N -1 0 305.342 -0.624 20 0 DBADRM CCc1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cc(=O)[nH]1 ZINC001412057725 1001291253 /nfs/dbraw/zinc/29/12/53/1001291253.db2.gz OBAWKXRGEYHLDY-UHFFFAOYSA-N -1 0 318.337 -0.014 20 0 DBADRM Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cn1 ZINC001412056442 1001291320 /nfs/dbraw/zinc/29/13/20/1001291320.db2.gz LDQWWGWOXASDIY-WDEREUQCSA-N -1 0 317.353 -0.453 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001591361311 1016485773 /nfs/dbraw/zinc/48/57/73/1016485773.db2.gz LELGDILWQOJAKP-IONNQARKSA-N -1 0 307.314 -0.030 20 0 DBADRM COC1(OC)CC(Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001591346900 1016485927 /nfs/dbraw/zinc/48/59/27/1016485927.db2.gz SMZRIBRLCSKOHY-UHFFFAOYSA-N -1 0 323.313 -0.771 20 0 DBADRM CO[C@@H]1CCC[C@H]1CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591363479 1016485981 /nfs/dbraw/zinc/48/59/81/1016485981.db2.gz XCVQMFLVCJZLBK-JGVFFNPUSA-N -1 0 321.341 -0.107 20 0 DBADRM Cc1cc(=O)n2[nH]c(NC(=O)C(C)(C)S(C)(=O)=O)nc2n1 ZINC001412156198 1001317541 /nfs/dbraw/zinc/31/75/41/1001317541.db2.gz DEZBPTLPUSOWNS-UHFFFAOYSA-N -1 0 313.339 -0.512 20 0 DBADRM CC(C)CN1C[C@H](C(=O)OCC(=O)NCCC(=O)[O-])CC1=O ZINC001591352367 1016486426 /nfs/dbraw/zinc/48/64/26/1016486426.db2.gz QHTRJQMSDIGKED-SNVBAGLBSA-N -1 0 314.338 -0.375 20 0 DBADRM CO[C@H](COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001591333598 1016481982 /nfs/dbraw/zinc/48/19/82/1016481982.db2.gz CQFLTBSZMJTMEW-IONNQARKSA-N -1 0 307.314 -0.013 20 0 DBADRM CCC[C@@H](O)[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001412219493 1001337274 /nfs/dbraw/zinc/33/72/74/1001337274.db2.gz JXAWNSQBAWYKAT-WDEREUQCSA-N -1 0 306.326 -0.487 20 0 DBADRM COC1CC(CCNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001591344978 1016482828 /nfs/dbraw/zinc/48/28/28/1016482828.db2.gz SONAOSVMYGRJND-IDKOKCKLSA-N -1 0 320.357 -0.050 20 0 DBADRM C[C@H]1C[C@@H](O)CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001412241785 1001344002 /nfs/dbraw/zinc/34/40/02/1001344002.db2.gz IXTRMWFENAWOKR-JOYOIKCWSA-N -1 0 302.338 -0.082 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)c1ccncc1 ZINC001423495261 1001344762 /nfs/dbraw/zinc/34/47/62/1001344762.db2.gz HKAAVSFFIKBWQD-NSHDSACASA-N -1 0 320.353 -0.530 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)[C@H]1CC1(F)F ZINC001423499572 1001346801 /nfs/dbraw/zinc/34/68/01/1001346801.db2.gz HYNYNPCYFMWNFT-HTQZYQBOSA-N -1 0 319.312 -0.583 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)c1cc[nH]c1 ZINC001423514384 1001357180 /nfs/dbraw/zinc/35/71/80/1001357180.db2.gz NZHCSGYUBXWKOO-SNVBAGLBSA-N -1 0 308.342 -0.597 20 0 DBADRM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001423518094 1001358162 /nfs/dbraw/zinc/35/81/62/1001358162.db2.gz IHPWMHHQUDDHJH-MWLCHTKSSA-N -1 0 311.386 -0.193 20 0 DBADRM CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001412297906 1001361550 /nfs/dbraw/zinc/36/15/50/1001361550.db2.gz OBFZLSMQMYSTDL-VXNVDRBHSA-N -1 0 316.289 -0.561 20 0 DBADRM COCC(=O)N[C@H](C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001591366862 1016489468 /nfs/dbraw/zinc/48/94/68/1016489468.db2.gz VTPYZDLDIMVHTC-MRVPVSSYSA-N -1 0 306.330 -0.968 20 0 DBADRM COC(=O)Cc1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC001412368706 1001378571 /nfs/dbraw/zinc/37/85/71/1001378571.db2.gz MOJCQHAZWGHHHL-UHFFFAOYSA-N -1 0 318.289 -0.072 20 0 DBADRM Cn1cncc1[C@H](CO)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412376194 1001380863 /nfs/dbraw/zinc/38/08/63/1001380863.db2.gz OACNYIIPKBVWNK-QMMMGPOBSA-N -1 0 310.314 -0.947 20 0 DBADRM CC(C)CNC(=O)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412387683 1001384281 /nfs/dbraw/zinc/38/42/81/1001384281.db2.gz XDOMPXYECZBDGX-UHFFFAOYSA-N -1 0 317.353 -0.423 20 0 DBADRM COCCN(CCNC(=O)c1cc(C)on1)Cc1n[nH]c(=O)[n-]1 ZINC001423622946 1001391918 /nfs/dbraw/zinc/39/19/18/1001391918.db2.gz WDBSEDLZHQJZFH-UHFFFAOYSA-N -1 0 324.341 -0.315 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001412431116 1001399010 /nfs/dbraw/zinc/39/90/10/1001399010.db2.gz KQLGNYGVFSDFAY-IUCAKERBSA-N -1 0 311.346 -0.673 20 0 DBADRM CS(=O)(=O)CCNC(=O)c1nc[n-]c(=O)c1Br ZINC001412442922 1001404251 /nfs/dbraw/zinc/40/42/51/1001404251.db2.gz NSDAKKMTHPSEFG-UHFFFAOYSA-N -1 0 324.156 -0.281 20 0 DBADRM COC[C@@](C)(O)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001423718381 1001408132 /nfs/dbraw/zinc/40/81/32/1001408132.db2.gz FTOMTTIPPFLWCF-VIFPVBQESA-N -1 0 300.402 -0.520 20 0 DBADRM CN1C(=O)c2ccccc2[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001412457721 1001410978 /nfs/dbraw/zinc/41/09/78/1001410978.db2.gz VDIRSOGTWXSHKZ-VIFPVBQESA-N -1 0 315.289 -0.161 20 0 DBADRM CO[C@@H]1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001591358711 1016487502 /nfs/dbraw/zinc/48/75/02/1016487502.db2.gz YJWSJHWDEZPINO-RKDXNWHRSA-N -1 0 306.330 -0.658 20 0 DBADRM CO[C@H]1CCC[C@@H]1CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591363481 1016487842 /nfs/dbraw/zinc/48/78/42/1016487842.db2.gz XCVQMFLVCJZLBK-SFYZADRCSA-N -1 0 321.341 -0.107 20 0 DBADRM CCCC(=O)NC1CC(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001423751747 1001420435 /nfs/dbraw/zinc/42/04/35/1001420435.db2.gz BJWNPOQGIYAPIN-UHFFFAOYSA-N -1 0 322.365 -0.089 20 0 DBADRM O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001412488395 1001424363 /nfs/dbraw/zinc/42/43/63/1001424363.db2.gz KLTFLDLVESSZIG-PRJMDXOYSA-N -1 0 321.259 -0.138 20 0 DBADRM O=C(Cc1ccoc1)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423760870 1001424709 /nfs/dbraw/zinc/42/47/09/1001424709.db2.gz SEJKQRAPMSFDRM-CQSZACIVSA-N -1 0 321.337 -0.601 20 0 DBADRM C[C@H](C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC001423766351 1001427465 /nfs/dbraw/zinc/42/74/65/1001427465.db2.gz WITZILJNUAFZMH-ZUZCIYMTSA-N -1 0 323.397 -0.001 20 0 DBADRM Cc1occc(=O)c1OCC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001412526729 1001437952 /nfs/dbraw/zinc/43/79/52/1001437952.db2.gz CWGXJRMLAXFYSJ-JTQLQIEISA-N -1 0 321.293 -0.560 20 0 DBADRM CC(C)CNC(=O)CN1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001591369632 1016494213 /nfs/dbraw/zinc/49/42/13/1016494213.db2.gz UQVLGPWXEUBUNM-NWDGAFQWSA-N -1 0 311.382 -0.473 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)NC2(c3nnn[n-]3)CCC2)C[C@H]1C ZINC001412535326 1001440831 /nfs/dbraw/zinc/44/08/31/1001440831.db2.gz BUIXRMADYCIFBI-IWSPIJDZSA-N -1 0 309.326 -0.338 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CNC(=O)N1CCCC1 ZINC001412541777 1001443184 /nfs/dbraw/zinc/44/31/84/1001443184.db2.gz KGIPYWQJJGXBPV-UHFFFAOYSA-N -1 0 309.374 -0.010 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)NC1(c3nnn[n-]3)CCC1)CC2 ZINC001412545162 1001444377 /nfs/dbraw/zinc/44/43/77/1001444377.db2.gz SGGSJYDSDUSWTL-QMMMGPOBSA-N -1 0 302.342 -0.371 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001423810460 1001444651 /nfs/dbraw/zinc/44/46/51/1001444651.db2.gz QCDZOEBPZGXQGJ-SEZDTBSWSA-N -1 0 323.353 -0.644 20 0 DBADRM O=C(c1nc[n-]c(=O)c1Br)N1CCCNC(=O)C1 ZINC001412558018 1001449370 /nfs/dbraw/zinc/44/93/70/1001449370.db2.gz KBDORUUCNSTYNE-UHFFFAOYSA-N -1 0 315.127 -0.093 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3cncn3C)C2)c1[O-] ZINC001423836299 1001464114 /nfs/dbraw/zinc/46/41/14/1001464114.db2.gz PRNVYMBKFFWIRX-UHFFFAOYSA-N -1 0 320.353 -0.866 20 0 DBADRM CN1C[C@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CCC1=O ZINC001412581022 1001466421 /nfs/dbraw/zinc/46/64/21/1001466421.db2.gz RYESAZBUCUTDAT-SNVBAGLBSA-N -1 0 315.337 -0.575 20 0 DBADRM CCO[C@H]1C[C@H](O)C12CCN(C(=O)CCc1nnn[n-]1)CC2 ZINC001412589734 1001469070 /nfs/dbraw/zinc/46/90/70/1001469070.db2.gz IPUIMQQPUDYLLE-QWRGUYRKSA-N -1 0 309.370 -0.089 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](COC)C(=O)OC ZINC001423841452 1001469143 /nfs/dbraw/zinc/46/91/43/1001469143.db2.gz FFTIQRKNJMIAIE-MRVPVSSYSA-N -1 0 316.401 -0.483 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)C[C@@H]1CCO[C@H](C)C1)C(=O)OC ZINC001423843983 1001471584 /nfs/dbraw/zinc/47/15/84/1001471584.db2.gz KOMRZHYYOLBJID-MXWKQRLJSA-N -1 0 309.384 -0.091 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@H]1CCCC2(CCC2)O1 ZINC001423850948 1001476626 /nfs/dbraw/zinc/47/66/26/1001476626.db2.gz MWJVCEGSGFOTCR-GHMZBOCLSA-N -1 0 321.395 -0.069 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(C(=O)OC)cn1)c1nnn[n-]1 ZINC001412604136 1001485575 /nfs/dbraw/zinc/48/55/75/1001485575.db2.gz IBILAKHWWFGVQA-SECBINFHSA-N -1 0 306.282 -0.501 20 0 DBADRM CC(C)CNC(=O)NC(=O)[C@H](C)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001591374183 1016498282 /nfs/dbraw/zinc/49/82/82/1016498282.db2.gz QQTMZRSKUTUBQD-BDAKNGLRSA-N -1 0 322.383 -0.008 20 0 DBADRM COC[C@H](NC(=O)c1ccc(C(=O)OC)cn1)c1nnn[n-]1 ZINC001412604137 1001487795 /nfs/dbraw/zinc/48/77/95/1001487795.db2.gz IBILAKHWWFGVQA-VIFPVBQESA-N -1 0 306.282 -0.501 20 0 DBADRM Cn1cnc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)cc1=O ZINC001412612540 1001493566 /nfs/dbraw/zinc/49/35/66/1001493566.db2.gz PFWMGWYOQUVPMB-VIFPVBQESA-N -1 0 303.326 -0.612 20 0 DBADRM Cn1cnnc1COCC(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001412612541 1001498496 /nfs/dbraw/zinc/49/84/96/1001498496.db2.gz PHAPUENRHSEYRT-JTQLQIEISA-N -1 0 320.357 -0.674 20 0 DBADRM COC(=O)CC(C)(C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001412618579 1001499364 /nfs/dbraw/zinc/49/93/64/1001499364.db2.gz MOTNPFAAQYMTGO-UHFFFAOYSA-N -1 0 321.337 -0.223 20 0 DBADRM COC[C@H](NC(=O)[C@@H](O)Cc1cccc(OC)c1)c1nnn[n-]1 ZINC001412616404 1001499906 /nfs/dbraw/zinc/49/99/06/1001499906.db2.gz YFYGOUTXOYAJDY-RYUDHWBXSA-N -1 0 321.337 -0.384 20 0 DBADRM Cc1cc(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)ccn1 ZINC001423877372 1001513087 /nfs/dbraw/zinc/51/30/87/1001513087.db2.gz OJFHENINPRUQRN-UHFFFAOYSA-N -1 0 318.337 -0.810 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC=C(N)N2)c1 ZINC001412626268 1001514314 /nfs/dbraw/zinc/51/43/14/1001514314.db2.gz FJJNDNWCLLNWPC-UHFFFAOYSA-N -1 0 312.351 -0.597 20 0 DBADRM O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1n[nH]c(=O)[n-]c1=O ZINC001412628335 1001514422 /nfs/dbraw/zinc/51/44/22/1001514422.db2.gz QOCGSCSPSIIQFH-VIFPVBQESA-N -1 0 308.269 -0.245 20 0 DBADRM COC[C@@H](O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591380417 1016501189 /nfs/dbraw/zinc/50/11/89/1016501189.db2.gz CHIZVGKRCIANRX-ZETCQYMHSA-N -1 0 317.327 -0.865 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)N=S(C)(C)=O)CCSC1 ZINC001423902394 1001521763 /nfs/dbraw/zinc/52/17/63/1001521763.db2.gz MAXZHRXZGWFKNS-MRVPVSSYSA-N -1 0 316.426 -0.403 20 0 DBADRM C[C@@H](CO[C@H]1CCOC1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412663931 1001524395 /nfs/dbraw/zinc/52/43/95/1001524395.db2.gz VMLCXVDOHUDWRK-UWVGGRQHSA-N -1 0 314.342 -0.220 20 0 DBADRM C[C@@]1(NC(=O)c2nc[n-]c(=O)c2Br)CCNC1=O ZINC001412707510 1001536023 /nfs/dbraw/zinc/53/60/23/1001536023.db2.gz MOZBSVFZQKYYHM-SNVBAGLBSA-N -1 0 315.127 -0.047 20 0 DBADRM CC(C)COC[C@H](O)CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001591390258 1016505978 /nfs/dbraw/zinc/50/59/78/1016505978.db2.gz RCXTXANUQPKVEL-MXWKQRLJSA-N -1 0 309.384 -0.198 20 0 DBADRM C[C@@H]1OCC[C@]1(O)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001423994970 1001541671 /nfs/dbraw/zinc/54/16/71/1001541671.db2.gz DGVAHMGQQBOZKV-UWVGGRQHSA-N -1 0 312.413 -0.378 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2cc(-c3nn[nH]n3)ncn2)C1 ZINC001591387067 1016503648 /nfs/dbraw/zinc/50/36/48/1016503648.db2.gz NOARBTAMVXRWFH-GFCCVEGCSA-N -1 0 305.298 -0.416 20 0 DBADRM CC1([C@@H]2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)OCCO1 ZINC001412734889 1001548085 /nfs/dbraw/zinc/54/80/85/1001548085.db2.gz VIWWYMARMWVMRY-SECBINFHSA-N -1 0 312.326 -0.309 20 0 DBADRM COC[C@H]1CCCN1NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591394698 1016504141 /nfs/dbraw/zinc/50/41/41/1016504141.db2.gz XNVRBFMJSXHMOS-RKDXNWHRSA-N -1 0 321.345 -0.839 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001412744415 1001552874 /nfs/dbraw/zinc/55/28/74/1001552874.db2.gz XVEXAEISOJQDII-SCZZXKLOSA-N -1 0 318.293 -0.990 20 0 DBADRM C[C@@H](C[S@](C)=O)N(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412755280 1001560094 /nfs/dbraw/zinc/56/00/94/1001560094.db2.gz YYUPRSXTJQSZPH-AUADJRAKSA-N -1 0 322.394 -0.086 20 0 DBADRM CCc1nc(C[N-]S(=O)(=O)N=S2(=O)CCCC2)n[nH]1 ZINC001424110269 1001573820 /nfs/dbraw/zinc/57/38/20/1001573820.db2.gz CCJXOIOEOLRVBS-UHFFFAOYSA-N -1 0 307.401 -0.037 20 0 DBADRM COC[C@@H]1CN(Cn2cccc(-c3nnn[n-]3)c2=O)CCO1 ZINC001591395391 1016506948 /nfs/dbraw/zinc/50/69/48/1016506948.db2.gz BYORSZKTQIADNX-JTQLQIEISA-N -1 0 306.326 -0.667 20 0 DBADRM COCC1(O)CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001591390531 1016507899 /nfs/dbraw/zinc/50/78/99/1016507899.db2.gz HSODXWRKFASZIA-UHFFFAOYSA-N -1 0 305.294 -0.594 20 0 DBADRM COCCC(C)(C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591397774 1016508531 /nfs/dbraw/zinc/50/85/31/1016508531.db2.gz CYNOCTHSRHIYNU-MRVPVSSYSA-N -1 0 308.346 -0.050 20 0 DBADRM CCO[C@@H](CS(=O)(=O)[N-][C@](C)(CO)C(=O)OC)C1CC1 ZINC001424195259 1001594202 /nfs/dbraw/zinc/59/42/02/1001594202.db2.gz GBFKRTOPDWCPKA-CMPLNLGQSA-N -1 0 309.384 -0.355 20 0 DBADRM COCCCCCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591410676 1016509741 /nfs/dbraw/zinc/50/97/41/1016509741.db2.gz GHTKKNSBLKRLSI-UHFFFAOYSA-N -1 0 309.330 -0.105 20 0 DBADRM CN(C)c1cnc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)cn1 ZINC001412846024 1001617707 /nfs/dbraw/zinc/61/77/07/1001617707.db2.gz DSMXKHUHARIKTC-SECBINFHSA-N -1 0 320.382 -0.014 20 0 DBADRM COCCCCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001591411856 1016510830 /nfs/dbraw/zinc/51/08/30/1016510830.db2.gz DKCYHNHJVBDGMN-UHFFFAOYSA-N -1 0 309.330 -0.897 20 0 DBADRM CS(=O)(=O)c1ccccc1CCNC(=O)c1n[nH]c(=O)[n-]1 ZINC001412867215 1001627930 /nfs/dbraw/zinc/62/79/30/1001627930.db2.gz BTYBHWAVBZLIEY-UHFFFAOYSA-N -1 0 310.335 -0.114 20 0 DBADRM COCCC(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001424367963 1001633428 /nfs/dbraw/zinc/63/34/28/1001633428.db2.gz SCUBPKWOZBBGDG-VIFPVBQESA-N -1 0 311.342 -0.994 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC001412893084 1001638649 /nfs/dbraw/zinc/63/86/49/1001638649.db2.gz AOZZNVMUOXRTSV-NSHDSACASA-N -1 0 322.369 -0.732 20 0 DBADRM CCC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)OCC ZINC001412898303 1001639320 /nfs/dbraw/zinc/63/93/20/1001639320.db2.gz UGXDJTAIKKUVBI-QMMMGPOBSA-N -1 0 300.315 -0.215 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001412897137 1001639550 /nfs/dbraw/zinc/63/95/50/1001639550.db2.gz KSZNMACMZVEGEU-ZDUSSCGKSA-N -1 0 309.326 -0.792 20 0 DBADRM O=C(c1ncc(Cl)cn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412906298 1001643233 /nfs/dbraw/zinc/64/32/33/1001643233.db2.gz ZAOAMNWYZZYTHQ-UHFFFAOYSA-N -1 0 309.717 -0.233 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)CCC(F)F)c1[O-] ZINC001412906604 1001643277 /nfs/dbraw/zinc/64/32/77/1001643277.db2.gz RKIBEHOYEVGFDU-SSDOTTSWSA-N -1 0 320.296 -0.324 20 0 DBADRM C[C@@]1(O)CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001412920588 1001649940 /nfs/dbraw/zinc/64/99/40/1001649940.db2.gz ODIPANFDXUAMMR-CQSZACIVSA-N -1 0 304.306 -0.137 20 0 DBADRM COCCCONC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001591417241 1016515966 /nfs/dbraw/zinc/51/59/66/1016515966.db2.gz PLNRGBVGLAZXRV-UHFFFAOYSA-N -1 0 308.298 -0.026 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1cc(Br)no1 ZINC001412983852 1001675325 /nfs/dbraw/zinc/67/53/25/1001675325.db2.gz XBJVSHGMZDQLCH-UHFFFAOYSA-N -1 0 318.087 -0.244 20 0 DBADRM CCN1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NC)o2)CC1=O ZINC001412983592 1001675369 /nfs/dbraw/zinc/67/53/69/1001675369.db2.gz TUYMBOAXPHGQKM-QMMMGPOBSA-N -1 0 315.351 -0.462 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(C2N=NC(=O)O2)CC1 ZINC001412992497 1001677942 /nfs/dbraw/zinc/67/79/42/1001677942.db2.gz RHWUHKBBHISJPW-MRVPVSSYSA-N -1 0 312.326 -0.368 20 0 DBADRM CN(C(=O)c1c[n-]ncc1=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001413002621 1001680954 /nfs/dbraw/zinc/68/09/54/1001680954.db2.gz NLRITAZESFLYPD-QMMMGPOBSA-N -1 0 300.340 -0.712 20 0 DBADRM COCC[C@@H](COC)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591398088 1016513167 /nfs/dbraw/zinc/51/31/67/1016513167.db2.gz CAEOVEWGEHWEHW-IUCAKERBSA-N -1 0 324.345 -0.813 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001424666974 1001722967 /nfs/dbraw/zinc/72/29/67/1001722967.db2.gz YRYCRGCWVXLKQT-GHMZBOCLSA-N -1 0 323.397 -0.001 20 0 DBADRM O=S(=O)(NCC1(O)CCC2(CC1)OCCO2)c1ncc[n-]1 ZINC001424683525 1001733097 /nfs/dbraw/zinc/73/30/97/1001733097.db2.gz GKDRGSVNHDYQDD-UHFFFAOYSA-N -1 0 317.367 -0.264 20 0 DBADRM CCCC(=O)N[C@H]1C[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001424690745 1001733809 /nfs/dbraw/zinc/73/38/09/1001733809.db2.gz BBDBMNKWCFTTBP-KYZUINATSA-N -1 0 311.342 -0.500 20 0 DBADRM CN1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)C[C@@H]1CO ZINC001424700870 1001745553 /nfs/dbraw/zinc/74/55/53/1001745553.db2.gz LFHLNQFFJORIAS-SNVBAGLBSA-N -1 0 304.343 -0.172 20 0 DBADRM COCCOCCOC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591439904 1016524843 /nfs/dbraw/zinc/52/48/43/1016524843.db2.gz IUYZKGWAXSZBNE-MRVPVSSYSA-N -1 0 311.302 -0.775 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNC(=O)C(C)(F)F)c1[O-] ZINC001413256984 1001783111 /nfs/dbraw/zinc/78/31/11/1001783111.db2.gz ZZXJGTDDHIVOMC-ZETCQYMHSA-N -1 0 320.296 -0.372 20 0 DBADRM Cc1nc(CN[C@@H](C)[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001424840199 1001805343 /nfs/dbraw/zinc/80/53/43/1001805343.db2.gz RLHYTBSOVAJJRQ-JGVFFNPUSA-N -1 0 324.341 -0.331 20 0 DBADRM CSCC[C@H](NC(=O)CCc1cnn(C)n1)c1nnn[n-]1 ZINC001413301830 1001808340 /nfs/dbraw/zinc/80/83/40/1001808340.db2.gz TUHJAPOLBLPBEO-VIFPVBQESA-N -1 0 310.387 -0.129 20 0 DBADRM COC(=O)[C@H](CNS(=O)(=O)c1ncc[n-]1)[C@@H]1CCOC1 ZINC001424910581 1001812050 /nfs/dbraw/zinc/81/20/50/1001812050.db2.gz HJSNFYOWOBYHQW-RKDXNWHRSA-N -1 0 303.340 -0.486 20 0 DBADRM Cc1nc([C@@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)no1 ZINC001413320279 1001812957 /nfs/dbraw/zinc/81/29/57/1001812957.db2.gz KCDOSRUQCGDVGB-DMWPKQFHSA-N -1 0 311.389 -0.152 20 0 DBADRM Cc1nc([C@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)no1 ZINC001413320276 1001813168 /nfs/dbraw/zinc/81/31/68/1001813168.db2.gz KCDOSRUQCGDVGB-AHGSNSTDSA-N -1 0 311.389 -0.152 20 0 DBADRM CCn1ccc(CC(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001424944963 1001816392 /nfs/dbraw/zinc/81/63/92/1001816392.db2.gz XFYNGMKIWKDHSU-JTQLQIEISA-N -1 0 321.385 -0.094 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)[N-]n3ccc(=O)[nH]c3=O)nc2C1 ZINC001413330065 1001816465 /nfs/dbraw/zinc/81/64/65/1001816465.db2.gz JKSNCEMQEYFLGM-QMMMGPOBSA-N -1 0 305.294 -0.510 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)[N-]n3ccc(=O)[nH]c3=O)nc2C1 ZINC001413330052 1001816973 /nfs/dbraw/zinc/81/69/73/1001816973.db2.gz JKSNCEMQEYFLGM-MRVPVSSYSA-N -1 0 305.294 -0.510 20 0 DBADRM C[C@H](CN(C)C(=O)C(C)(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001424961526 1001817799 /nfs/dbraw/zinc/81/77/99/1001817799.db2.gz PSVBQOXTURPHQN-RXMQYKEDSA-N -1 0 319.268 -0.485 20 0 DBADRM CC[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1cc(C(=O)OC)[nH]n1 ZINC001413352895 1001823430 /nfs/dbraw/zinc/82/34/30/1001823430.db2.gz JJKQHMJGGOVBGR-SCZZXKLOSA-N -1 0 317.367 -0.022 20 0 DBADRM COc1nnc(NC(=O)CCCn2c(=O)[n-][nH]c2=O)s1 ZINC001413365260 1001828067 /nfs/dbraw/zinc/82/80/67/1001828067.db2.gz DIKCKULVLFAHNC-UHFFFAOYSA-N -1 0 300.300 -0.032 20 0 DBADRM CCn1cc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001425040210 1001832271 /nfs/dbraw/zinc/83/22/71/1001832271.db2.gz NPPQILHTASPNOO-QMMMGPOBSA-N -1 0 308.346 -0.628 20 0 DBADRM Nc1nc(C2CC2)ncc1C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001413385683 1001834281 /nfs/dbraw/zinc/83/42/81/1001834281.db2.gz IXVUMTYRXQRNJB-SECBINFHSA-N -1 0 316.325 -0.337 20 0 DBADRM CCn1nncc1C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001413400001 1001836999 /nfs/dbraw/zinc/83/69/99/1001836999.db2.gz IIMBPHOEMJGGDM-UHFFFAOYSA-N -1 0 307.401 -0.106 20 0 DBADRM Cc1cc(CN(C)[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)on1 ZINC001425057442 1001837382 /nfs/dbraw/zinc/83/73/82/1001837382.db2.gz OAJWGWVYHWZJOO-VIFPVBQESA-N -1 0 324.341 -0.378 20 0 DBADRM CCOC(=O)[C@]1(C)CN(S(=O)(=O)c2ncc[n-]2)CCO1 ZINC001413419406 1001842841 /nfs/dbraw/zinc/84/28/41/1001842841.db2.gz SKEILBDSZSGERT-NSHDSACASA-N -1 0 303.340 -0.248 20 0 DBADRM C[C@@H](CN(C)C(=O)C1(C)CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001425087043 1001842992 /nfs/dbraw/zinc/84/29/92/1001842992.db2.gz DXVGNUIWDLHYCK-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CCC(c3nnn[n-]3)CC2)C[C@H]1C ZINC001413427261 1001845977 /nfs/dbraw/zinc/84/59/77/1001845977.db2.gz OMUPUBWKHHYNSJ-FBIMIBRVSA-N -1 0 323.353 -0.128 20 0 DBADRM CCN1C[C@@H](C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)CC1=O ZINC001413452791 1001851050 /nfs/dbraw/zinc/85/10/50/1001851050.db2.gz HNZXMYWNFRMJAV-VIFPVBQESA-N -1 0 320.349 -0.261 20 0 DBADRM CCN1CC(CCO)(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001425113116 1001851302 /nfs/dbraw/zinc/85/13/02/1001851302.db2.gz FXVUJPCCWHRELB-UHFFFAOYSA-N -1 0 313.358 -0.958 20 0 DBADRM CC(C)N1CC(CCO)(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001425126614 1001853954 /nfs/dbraw/zinc/85/39/54/1001853954.db2.gz LEMVCKIKLADZKE-UHFFFAOYSA-N -1 0 319.365 -0.402 20 0 DBADRM O=C(C[C@H]1CCCS(=O)(=O)C1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001413465083 1001855653 /nfs/dbraw/zinc/85/56/53/1001855653.db2.gz CMKOVVYHLOTVGN-NXEZZACHSA-N -1 0 313.383 -0.270 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)C[C@@H]1COC(=O)C1)C(=O)[O-] ZINC001591457673 1016530611 /nfs/dbraw/zinc/53/06/11/1016530611.db2.gz QSTXMRFSYKFSHM-UWVGGRQHSA-N -1 0 314.338 -0.329 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)Nc2nn(C)cc2C(N)=O)cc1=O ZINC001433453588 1001858393 /nfs/dbraw/zinc/85/83/93/1001858393.db2.gz KBLGKNNTOGNTMD-UHFFFAOYSA-N -1 0 320.353 -0.154 20 0 DBADRM COC[C@H]1C[C@@H](NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001591453061 1016531426 /nfs/dbraw/zinc/53/14/26/1016531426.db2.gz JTPNMVHQKXYWRJ-HLTSFMKQSA-N -1 0 306.330 -0.440 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@@H]1Cc2cccnc2NC1=O ZINC001413513652 1001867924 /nfs/dbraw/zinc/86/79/24/1001867924.db2.gz RNGSAPRVNBKYJG-SECBINFHSA-N -1 0 301.310 -0.403 20 0 DBADRM C[C@@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001425226410 1001869279 /nfs/dbraw/zinc/86/92/79/1001869279.db2.gz IMFJUSDOLAMLNX-RFAUZJTJSA-N -1 0 323.397 -0.002 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)C1CC(C)(O)C1)C(=O)[O-] ZINC001591457184 1016532135 /nfs/dbraw/zinc/53/21/35/1016532135.db2.gz ALCRQDFKGCQZDV-XIRUVYRFSA-N -1 0 300.355 -0.121 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)C(=O)NCC1CC1)C(=O)[O-] ZINC001591453187 1016532165 /nfs/dbraw/zinc/53/21/65/1016532165.db2.gz BNYARCFCJUMBBP-JTQLQIEISA-N -1 0 313.354 -0.756 20 0 DBADRM C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C1CN(CCF)C1 ZINC001425240153 1001873796 /nfs/dbraw/zinc/87/37/96/1001873796.db2.gz XJJPDMNDVZIOTI-VIFPVBQESA-N -1 0 315.349 -0.125 20 0 DBADRM Cc1ccnn1CC(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001433541242 1001879402 /nfs/dbraw/zinc/87/94/02/1001879402.db2.gz GLZDILCGCMIPNT-QMMMGPOBSA-N -1 0 320.353 -0.137 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC001413568241 1001881721 /nfs/dbraw/zinc/88/17/21/1001881721.db2.gz NNROFXGIBNFEOU-QWRGUYRKSA-N -1 0 324.385 -0.196 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC001591467388 1016533879 /nfs/dbraw/zinc/53/38/79/1016533879.db2.gz MPLKIEZINJHAFZ-UHFFFAOYSA-N -1 0 309.261 -0.195 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[C@@H](NC(=O)c3c[n-]ncc3=O)C2)n1 ZINC001413570435 1001883395 /nfs/dbraw/zinc/88/33/95/1001883395.db2.gz LQIMVAPQIOQPCR-SECBINFHSA-N -1 0 316.321 -0.005 20 0 DBADRM CON1CCN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CC1 ZINC001591466991 1016533994 /nfs/dbraw/zinc/53/39/94/1016533994.db2.gz FQUSXVCWFVUZGZ-UHFFFAOYSA-N -1 0 304.310 -0.109 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1ccc(CNC(C)=O)cc1 ZINC001433556790 1001884486 /nfs/dbraw/zinc/88/44/86/1001884486.db2.gz GTWYIXJAHDKRIZ-UHFFFAOYSA-N -1 0 318.337 -0.370 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@]2(CCOC2=O)C1 ZINC001433586171 1001891255 /nfs/dbraw/zinc/89/12/55/1001891255.db2.gz UQFZFEOXRDZPCH-AWEZNQCLSA-N -1 0 317.305 -0.763 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1snc(C)c1-c1nn[nH]n1 ZINC001591467426 1016535591 /nfs/dbraw/zinc/53/55/91/1016535591.db2.gz OFDGZQZLOUXXFR-UHFFFAOYSA-N -1 0 312.315 -0.569 20 0 DBADRM COC(=O)Cc1csc(NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001433618291 1001899442 /nfs/dbraw/zinc/89/94/42/1001899442.db2.gz ASWBFCNGNCFSCE-UHFFFAOYSA-N -1 0 313.295 -0.500 20 0 DBADRM COC(=O)N1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001433620996 1001903909 /nfs/dbraw/zinc/90/39/09/1001903909.db2.gz OFWSGUNLHBGYEM-UHFFFAOYSA-N -1 0 301.328 -0.487 20 0 DBADRM CNC(=O)CNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001433621629 1001904550 /nfs/dbraw/zinc/90/45/50/1001904550.db2.gz DDNLLLLBMJHIFJ-UHFFFAOYSA-N -1 0 304.310 -0.952 20 0 DBADRM CO[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C[C@H]1O ZINC001591468965 1016539544 /nfs/dbraw/zinc/53/95/44/1016539544.db2.gz ILPKGWNYPXYQTC-GHMZBOCLSA-N -1 0 305.294 -0.596 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ccon1 ZINC001495099217 1016548128 /nfs/dbraw/zinc/54/81/28/1016548128.db2.gz RXMFKLOJCNLZKT-MRVPVSSYSA-N -1 0 310.314 -0.638 20 0 DBADRM CC(C)N1C[C@H](NC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1=O ZINC001591610961 1016552423 /nfs/dbraw/zinc/55/24/23/1016552423.db2.gz ULNQXBYKLDRDKK-MXWKQRLJSA-N -1 0 313.354 -0.121 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)Nc2cc(C(=O)[O-])nn2C)C1=O ZINC001591605404 1016552558 /nfs/dbraw/zinc/55/25/58/1016552558.db2.gz MBICAOMXRNHSFX-SSDOTTSWSA-N -1 0 323.309 -0.224 20 0 DBADRM CC(C)N(C[C@@H](O)CO)C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001591573462 1016551633 /nfs/dbraw/zinc/55/16/33/1016551633.db2.gz GFNDYNYZWIXZOF-SNVBAGLBSA-N -1 0 324.333 -0.087 20 0 DBADRM CC(=O)N1CC2(C1)CCN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C2 ZINC001413728614 1001968296 /nfs/dbraw/zinc/96/82/96/1001968296.db2.gz YFADEANZTPWUQE-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM CN(CC(=O)NCc1cccs1)C(=O)CCc1nnn[n-]1 ZINC001433687942 1001968865 /nfs/dbraw/zinc/96/88/65/1001968865.db2.gz CAVKYCVHGLEWSY-UHFFFAOYSA-N -1 0 308.367 -0.031 20 0 DBADRM CC(C)C(=O)NC[C@@H]1CCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001433692383 1001971544 /nfs/dbraw/zinc/97/15/44/1001971544.db2.gz OKZSUUUEKBPGHY-VIFPVBQESA-N -1 0 323.353 -0.412 20 0 DBADRM CC(C)(O)[C@H](O)C(=O)Nc1ccc(OCc2nnn[n-]2)cc1 ZINC001433708041 1001987004 /nfs/dbraw/zinc/98/70/04/1001987004.db2.gz LACHBKNUSBIFGE-LLVKDONJSA-N -1 0 307.310 -0.151 20 0 DBADRM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)CCCc2nnn[n-]2)C1 ZINC001433711831 1001989067 /nfs/dbraw/zinc/98/90/67/1001989067.db2.gz PIPZNRAWESEAHU-UWVGGRQHSA-N -1 0 315.399 -0.006 20 0 DBADRM CC(C)N1C[C@H](NC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1=O ZINC001591610923 1016552652 /nfs/dbraw/zinc/55/26/52/1016552652.db2.gz SDXGVKYCVXMOSY-SNVBAGLBSA-N -1 0 321.333 -0.328 20 0 DBADRM CC(C)N(CCN(C)CC(=O)N(C)C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001591593922 1016553142 /nfs/dbraw/zinc/55/31/42/1016553142.db2.gz LTBHDKPAWKVYPM-NEPJUHHUSA-N -1 0 313.398 -0.036 20 0 DBADRM CC1(C(=O)NC[C@@H]2CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001433732929 1002003468 /nfs/dbraw/zinc/00/34/68/1002003468.db2.gz GGPRLAITYIBYSB-QMMMGPOBSA-N -1 0 309.326 -0.794 20 0 DBADRM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001433734813 1002005199 /nfs/dbraw/zinc/00/51/99/1002005199.db2.gz HFXHPILWNZXXTG-ZETCQYMHSA-N -1 0 308.342 -0.213 20 0 DBADRM CC(C)N1C(=O)C[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C1=O ZINC001591605395 1016553692 /nfs/dbraw/zinc/55/36/92/1016553692.db2.gz LLNGXIBLMLZVJV-QMMMGPOBSA-N -1 0 320.367 -0.448 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)c2ccn(C)c2)c1[O-] ZINC001425361675 1002014803 /nfs/dbraw/zinc/01/48/03/1002014803.db2.gz ZGAPWWLPBPCFKN-JTQLQIEISA-N -1 0 321.337 -0.717 20 0 DBADRM CC(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001591639305 1016555823 /nfs/dbraw/zinc/55/58/23/1016555823.db2.gz DMRUSGPTUNPKCN-QMMMGPOBSA-N -1 0 315.351 -0.029 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001591640921 1016555977 /nfs/dbraw/zinc/55/59/77/1016555977.db2.gz CQYKMZZFIAWBJV-AWEZNQCLSA-N -1 0 315.370 -0.807 20 0 DBADRM CC(C)N1CC[C@@H](N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1=O ZINC001591617057 1016556179 /nfs/dbraw/zinc/55/61/79/1016556179.db2.gz VGSLBRMCFPMCTI-GHMZBOCLSA-N -1 0 318.395 -0.431 20 0 DBADRM O=C(c1nc[n-]c(=O)c1Br)N1C[C@H](O)C[C@H](O)C1 ZINC001433774678 1002024603 /nfs/dbraw/zinc/02/46/03/1002024603.db2.gz RYDNSPKLUHVNIV-OLQVQODUSA-N -1 0 318.127 -0.488 20 0 DBADRM CC(C)NC(=O)CN(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001591641246 1016556484 /nfs/dbraw/zinc/55/64/84/1016556484.db2.gz NXEPTGQFPFSVDP-JTQLQIEISA-N -1 0 313.354 -0.707 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)CCCn2c(=O)[n-][nH]c2=O)O1 ZINC001433782033 1002027207 /nfs/dbraw/zinc/02/72/07/1002027207.db2.gz WKLXPFYOKYBAIX-QMMMGPOBSA-N -1 0 300.315 -0.263 20 0 DBADRM CC(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001591640176 1016557997 /nfs/dbraw/zinc/55/79/97/1016557997.db2.gz SQBZVMMJLADBIE-MRVPVSSYSA-N -1 0 315.351 -0.029 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1=O ZINC001433795515 1002034351 /nfs/dbraw/zinc/03/43/51/1002034351.db2.gz KWQLKKNVUZNPSP-UTLUCORTSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(C)N1CC[C@H](N2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)C1=O ZINC001591617307 1016558484 /nfs/dbraw/zinc/55/84/84/1016558484.db2.gz AFTCSOGKUCXPKQ-DOLQZWNJSA-N -1 0 309.322 -0.363 20 0 DBADRM CNC(=O)[C@@H](O)CNC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001413845841 1002038309 /nfs/dbraw/zinc/03/83/09/1002038309.db2.gz FBKJAYKJXSIZCY-JTQLQIEISA-N -1 0 322.296 -0.446 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001413850920 1002040538 /nfs/dbraw/zinc/04/05/38/1002040538.db2.gz MAJDEDQXVFYCGL-LURJTMIESA-N -1 0 301.328 -0.842 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1(CNC(=O)C2CCC2)CC1 ZINC001433806132 1002041292 /nfs/dbraw/zinc/04/12/92/1002041292.db2.gz LCZCMZLLAXAQDG-UHFFFAOYSA-N -1 0 309.326 -0.746 20 0 DBADRM COC(=O)[C@H](COC(C)C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001433811040 1002042888 /nfs/dbraw/zinc/04/28/88/1002042888.db2.gz QFWSIUNNHAYPMG-QMMMGPOBSA-N -1 0 316.314 -0.886 20 0 DBADRM CC(=O)N1CC[C@H](CN(C)C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001433813923 1002046487 /nfs/dbraw/zinc/04/64/87/1002046487.db2.gz HSBLSWALUWPNPK-SECBINFHSA-N -1 0 313.383 -0.071 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)c1c[n-]n2c1nccc2=O ZINC001433818960 1002047951 /nfs/dbraw/zinc/04/79/51/1002047951.db2.gz WFMBPRFAQLDOQF-QMMMGPOBSA-N -1 0 312.351 -0.424 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)c1ccoc1CC(=O)[O-] ZINC001591661644 1016560218 /nfs/dbraw/zinc/56/02/18/1016560218.db2.gz SUKHVQZFFSZKDR-UHFFFAOYSA-N -1 0 318.351 -0.036 20 0 DBADRM CN(C)C(=O)NCCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001433821579 1002050180 /nfs/dbraw/zinc/05/01/80/1002050180.db2.gz LSWRIUKZHMIRKS-UHFFFAOYSA-N -1 0 306.326 -0.634 20 0 DBADRM CC(C)NC(=O)CN1CC=C(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001591645478 1016560930 /nfs/dbraw/zinc/56/09/30/1016560930.db2.gz VBSABIVHEUUMLU-CHWSQXEVSA-N -1 0 323.393 -0.020 20 0 DBADRM CC(C)NC(=O)CNC(=S)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001591645231 1016560993 /nfs/dbraw/zinc/56/09/93/1016560993.db2.gz QVSRLDWZCCRERR-BDAKNGLRSA-N -1 0 303.384 -0.847 20 0 DBADRM Cn1[n-]c(C(=O)N(CCC(F)(F)F)C[C@H](O)CO)cc1=O ZINC001433826353 1002054812 /nfs/dbraw/zinc/05/48/12/1002054812.db2.gz ORCVEQCDWNESBA-ZETCQYMHSA-N -1 0 311.260 -0.127 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001591661281 1016561463 /nfs/dbraw/zinc/56/14/63/1016561463.db2.gz FVXUVUQNCVHYRW-SNVBAGLBSA-N -1 0 319.383 -0.213 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCCC(=O)NCc1ccccn1 ZINC001433852926 1002070542 /nfs/dbraw/zinc/07/05/42/1002070542.db2.gz KOTTZDDBYZSVNO-UHFFFAOYSA-N -1 0 317.353 -0.260 20 0 DBADRM C[C@@H](O)[C@H]1CCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001433856858 1002074814 /nfs/dbraw/zinc/07/48/14/1002074814.db2.gz RLXPCAOWBDYHEW-MWLCHTKSSA-N -1 0 305.338 -0.167 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCc2ccccc2[C@@H]1CO ZINC001433869285 1002083906 /nfs/dbraw/zinc/08/39/06/1002083906.db2.gz KIARBNHXUQGENN-NSHDSACASA-N -1 0 304.306 -0.192 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCc2ccccc2[C@H]1CO ZINC001433869282 1002084003 /nfs/dbraw/zinc/08/40/03/1002084003.db2.gz KIARBNHXUQGENN-LLVKDONJSA-N -1 0 304.306 -0.192 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(Cn2ccnn2)CC1 ZINC001433878640 1002090317 /nfs/dbraw/zinc/09/03/17/1002090317.db2.gz OGUFRCQQOLYASO-UHFFFAOYSA-N -1 0 307.314 -0.780 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001591676011 1016567372 /nfs/dbraw/zinc/56/73/72/1016567372.db2.gz PDEBMIDYIVGDJW-ZJUUUORDSA-N -1 0 314.338 -0.234 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(F)c(O)c1 ZINC001433903048 1002102109 /nfs/dbraw/zinc/10/21/09/1002102109.db2.gz GKHZULPZGCFFDZ-UHFFFAOYSA-N -1 0 304.299 -0.273 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC001433899455 1002102249 /nfs/dbraw/zinc/10/22/49/1002102249.db2.gz SUHSSYJBUFRAFI-JGVFFNPUSA-N -1 0 308.294 -0.507 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@]12CCO[C@H]1CCCC2 ZINC001433903446 1002103827 /nfs/dbraw/zinc/10/38/27/1002103827.db2.gz HQCKBJMEQXSGRS-GXFFZTMASA-N -1 0 318.395 -0.082 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@]12CCO[C@H]1CCCC2 ZINC001433903444 1002103860 /nfs/dbraw/zinc/10/38/60/1002103860.db2.gz HQCKBJMEQXSGRS-GWCFXTLKSA-N -1 0 318.395 -0.082 20 0 DBADRM CC(C)OC(=O)COC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001591675623 1016569955 /nfs/dbraw/zinc/56/99/55/1016569955.db2.gz FFGYZQYGODARSU-VIFPVBQESA-N -1 0 301.295 -0.196 20 0 DBADRM O=C([C@@H]1CCCn2ncnc21)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001433926608 1002119750 /nfs/dbraw/zinc/11/97/50/1002119750.db2.gz SQFCBABNQHSAME-RKDXNWHRSA-N -1 0 320.382 -0.015 20 0 DBADRM O=C([C@H](O)c1cccnc1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001433936352 1002124619 /nfs/dbraw/zinc/12/46/19/1002124619.db2.gz GFPFSSDWXSWXAV-SNVBAGLBSA-N -1 0 304.310 -0.862 20 0 DBADRM O=C(CCc1cnccn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001433936273 1002124815 /nfs/dbraw/zinc/12/48/15/1002124815.db2.gz FJABVFDMNDKDPL-UHFFFAOYSA-N -1 0 303.326 -0.568 20 0 DBADRM CC(=O)N[C@@H](C(=O)N1CCC(O)(c2nnn[n-]2)CC1)C(C)C ZINC001433937408 1002126531 /nfs/dbraw/zinc/12/65/31/1002126531.db2.gz OKFHFTDYCDEGNH-SNVBAGLBSA-N -1 0 310.358 -0.830 20 0 DBADRM COCC[C@]1(NC(=O)c2c[n-]n3c2nccc3=O)CCOC1 ZINC001433941682 1002128515 /nfs/dbraw/zinc/12/85/15/1002128515.db2.gz DWNUCUOHPJHDLR-AWEZNQCLSA-N -1 0 306.322 -0.052 20 0 DBADRM CN1CCC2(CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)C1=O ZINC001433949958 1002130436 /nfs/dbraw/zinc/13/04/36/1002130436.db2.gz OUQNQFNYPOXMNR-UHFFFAOYSA-N -1 0 309.326 -0.840 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@]2(CCCOC2)O1 ZINC001433952000 1002131373 /nfs/dbraw/zinc/13/13/73/1002131373.db2.gz WVTAPPSAZILSJN-RNCFNFMXSA-N -1 0 312.326 -0.514 20 0 DBADRM C[S@](=O)CCN1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001591683966 1016573260 /nfs/dbraw/zinc/57/32/60/1016573260.db2.gz JHULWTADLZBICH-QFIPXVFZSA-N -1 0 322.398 -0.843 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](Cn2ccc(-c3nnn[n-]3)cc2=O)C1 ZINC001591681194 1016575962 /nfs/dbraw/zinc/57/59/62/1016575962.db2.gz ZTDZZBPWPNVIDN-VIFPVBQESA-N -1 0 324.366 -0.690 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC001433990147 1002153967 /nfs/dbraw/zinc/15/39/67/1002153967.db2.gz HIPLMMAGMXXFMB-DTORHVGOSA-N -1 0 313.383 -0.418 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)N[C@H](C)CO)cc1-c1nnn[n-]1 ZINC001591702850 1016577373 /nfs/dbraw/zinc/57/73/73/1016577373.db2.gz BCPTUERQOGZTBD-RXMQYKEDSA-N -1 0 310.339 -0.200 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)NCCC(N)=O)cc1-c1nnn[n-]1 ZINC001591704147 1016577552 /nfs/dbraw/zinc/57/75/52/1016577552.db2.gz OGXMGHYTAIVKAX-UHFFFAOYSA-N -1 0 323.338 -0.706 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[C@](O)(C(F)F)C1 ZINC001434007644 1002164327 /nfs/dbraw/zinc/16/43/27/1002164327.db2.gz WXUMMWLDAXEWCT-LLVKDONJSA-N -1 0 305.237 -0.262 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001591709942 1016577854 /nfs/dbraw/zinc/57/78/54/1016577854.db2.gz QWZROIIIZNEIQP-LPEHRKFASA-N -1 0 302.327 -0.644 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001591705156 1016578347 /nfs/dbraw/zinc/57/83/47/1016578347.db2.gz PDBSHHBLAHIACQ-VHSXEESVSA-N -1 0 322.383 -0.643 20 0 DBADRM CC(C)O[C@]1(CS(=O)(=O)NC[C@H](F)C(=O)[O-])CCOC1 ZINC001591697203 1016579071 /nfs/dbraw/zinc/57/90/71/1016579071.db2.gz WXFGIWJTYUMOII-GXSJLCMTSA-N -1 0 313.347 -0.087 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC001434040972 1002188657 /nfs/dbraw/zinc/18/86/57/1002188657.db2.gz BGSAYUXRKOGLQJ-UHFFFAOYSA-N -1 0 303.278 -0.386 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1COc2ccccc2[C@@H]1O ZINC001434040485 1002189654 /nfs/dbraw/zinc/18/96/54/1002189654.db2.gz FHNXVMRIQIZPRQ-KWQFWETISA-N -1 0 306.278 -0.700 20 0 DBADRM C[C@@H]1C[C@H](Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)C[C@H](C)O1 ZINC001591774801 1016589248 /nfs/dbraw/zinc/58/92/48/1016589248.db2.gz OJLQJPVHLLGDMD-MYJAWHEDSA-N -1 0 320.353 -0.069 20 0 DBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)NOCCO ZINC001591786855 1016591208 /nfs/dbraw/zinc/59/12/08/1016591208.db2.gz AHRWCNGIBWUYLY-UHFFFAOYSA-N -1 0 322.325 -0.443 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC2(O)CCCC2)c(=O)n1C ZINC001591793819 1016591411 /nfs/dbraw/zinc/59/14/11/1016591411.db2.gz KHWUVFAKWCHNKY-UHFFFAOYSA-N -1 0 306.326 -0.659 20 0 DBADRM CC(C)Oc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cn1 ZINC001591791003 1016591610 /nfs/dbraw/zinc/59/16/10/1016591610.db2.gz GYVZAPMCAYQPAT-VIFPVBQESA-N -1 0 304.324 -0.407 20 0 DBADRM CCCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001425637655 1002255796 /nfs/dbraw/zinc/25/57/96/1002255796.db2.gz MIBOGTXOWBIPTL-RKDXNWHRSA-N -1 0 311.342 -0.405 20 0 DBADRM CC1(C)CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@@H](CO)O1 ZINC001434106867 1002262136 /nfs/dbraw/zinc/26/21/36/1002262136.db2.gz IUYJKEKWBOAMGR-ZETCQYMHSA-N -1 0 302.356 -0.399 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC(=O)OCC(C)C)c(=O)n1C ZINC001591793843 1016593815 /nfs/dbraw/zinc/59/38/15/1016593815.db2.gz LHSHHLSDPPOBGD-UHFFFAOYSA-N -1 0 322.325 -0.765 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCOC2=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001434117227 1002271752 /nfs/dbraw/zinc/27/17/52/1002271752.db2.gz OLQSZKIHGWMWAC-LURJTMIESA-N -1 0 304.262 -0.210 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CS(=O)(=O)C1CCCC1 ZINC001434121542 1002273636 /nfs/dbraw/zinc/27/36/36/1002273636.db2.gz YJGZIUDEEBTISX-UHFFFAOYSA-N -1 0 303.340 -0.321 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CS(=O)(=O)NC(C)(C)C ZINC001434120429 1002274668 /nfs/dbraw/zinc/27/46/68/1002274668.db2.gz MMGFNAOSLGBRID-UHFFFAOYSA-N -1 0 306.344 -0.961 20 0 DBADRM CCOC(=O)Cn1ccc(NC(=O)CCCc2nnn[n-]2)n1 ZINC001434125373 1002276839 /nfs/dbraw/zinc/27/68/39/1002276839.db2.gz UNEAYOYNYOPUNE-UHFFFAOYSA-N -1 0 307.314 -0.079 20 0 DBADRM CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001414245429 1002279051 /nfs/dbraw/zinc/27/90/51/1002279051.db2.gz FVEOTWXSVSWDMZ-ZCFIWIBFSA-N -1 0 323.758 -0.409 20 0 DBADRM Cn1[n-]c(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1=O ZINC001434123205 1002279730 /nfs/dbraw/zinc/27/97/30/1002279730.db2.gz DLFIKMOIOALPOV-LBPRGKRZSA-N -1 0 315.351 -0.845 20 0 DBADRM CCC(=O)N[C@@H]1CC[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001425679185 1002284919 /nfs/dbraw/zinc/28/49/19/1002284919.db2.gz CEQUDQWTDAUOKP-RKDXNWHRSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(Cc2ccno2)c(=O)n1C1CC1 ZINC001591795394 1016597328 /nfs/dbraw/zinc/59/73/28/1016597328.db2.gz QGVIFVCYUSBCBF-UHFFFAOYSA-N -1 0 315.293 -0.130 20 0 DBADRM CC(C)Oc1cncc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001591810130 1016597687 /nfs/dbraw/zinc/59/76/87/1016597687.db2.gz SVHIFJXRAZAXFZ-VIFPVBQESA-N -1 0 318.351 -0.017 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC2(O)CCCCC2)c(=O)n1C ZINC001591794046 1016597808 /nfs/dbraw/zinc/59/78/08/1016597808.db2.gz VYYCFLUDQITRNP-UHFFFAOYSA-N -1 0 320.353 -0.269 20 0 DBADRM CCC(=O)N[C@]1(C)CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001434150051 1002291803 /nfs/dbraw/zinc/29/18/03/1002291803.db2.gz RNKWYWJUVNXTPM-CQSZACIVSA-N -1 0 308.338 -0.383 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NC1(C(N)=O)CC1 ZINC001591834586 1016598565 /nfs/dbraw/zinc/59/85/65/1016598565.db2.gz FWHGCMRHEVZWEF-UHFFFAOYSA-N -1 0 303.282 -0.977 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](OC)C2CC2)n[nH]1 ZINC001414271509 1002299027 /nfs/dbraw/zinc/29/90/27/1002299027.db2.gz SCEJMBUAZFHYMD-VIFPVBQESA-N -1 0 303.340 -0.100 20 0 DBADRM Cc1c(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)cnn1C ZINC001591825416 1016599100 /nfs/dbraw/zinc/59/91/00/1016599100.db2.gz QQTUKDSSOSSKNX-ZETCQYMHSA-N -1 0 302.302 -0.300 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCC[S@@](=O)CC(F)(F)F ZINC001434170645 1002305868 /nfs/dbraw/zinc/30/58/68/1002305868.db2.gz DGXAEYPSGWXTOW-HXUWFJFHSA-N -1 0 313.305 -0.050 20 0 DBADRM CCC(=O)N1CC[C@@](C)(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001434180392 1002307809 /nfs/dbraw/zinc/30/78/09/1002307809.db2.gz PHOBJQQSQDTXRX-CQSZACIVSA-N -1 0 323.353 -0.267 20 0 DBADRM CC(C)[C@@H](O)C(=O)NC[C@@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001591846733 1016601068 /nfs/dbraw/zinc/60/10/68/1016601068.db2.gz USKITOIOWKMYEH-NXEZZACHSA-N -1 0 312.326 -0.919 20 0 DBADRM CSCC[C@H](NC(=O)[C@H]1NC(=O)O[C@H]1C)c1nnn[n-]1 ZINC001434198164 1002313864 /nfs/dbraw/zinc/31/38/64/1002313864.db2.gz AAXATXOEEHONMP-ACZMJKKPSA-N -1 0 300.344 -0.393 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CCN(C)CC1 ZINC001591834943 1016601519 /nfs/dbraw/zinc/60/15/19/1016601519.db2.gz ZEKAORBSISVFHY-UHFFFAOYSA-N -1 0 303.326 -0.337 20 0 DBADRM CSCC[C@H](NC(=O)C[C@H](C)NC(N)=O)c1nnn[n-]1 ZINC001434202830 1002317811 /nfs/dbraw/zinc/31/78/11/1002317811.db2.gz XPTKJNFVUYVCLQ-BQBZGAKWSA-N -1 0 301.376 -0.443 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001591845861 1016602486 /nfs/dbraw/zinc/60/24/86/1016602486.db2.gz DDCGVRRSWCBITK-GXSJLCMTSA-N -1 0 308.338 -0.113 20 0 DBADRM CCOC(=O)c1cc(CS(=O)(=O)N[C@@H]2COC[C@@H]2O)on1 ZINC001414317818 1002323233 /nfs/dbraw/zinc/32/32/33/1002323233.db2.gz OGJRBLGYNPBNTR-ZJUUUORDSA-N -1 0 320.323 -0.970 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCc2nccnc2C1 ZINC001434215005 1002325069 /nfs/dbraw/zinc/32/50/69/1002325069.db2.gz AYGAGEMMCZTLFW-UHFFFAOYSA-N -1 0 304.310 -0.156 20 0 DBADRM CC(C)(CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)n1ccnc1 ZINC001434225421 1002331080 /nfs/dbraw/zinc/33/10/80/1002331080.db2.gz KCDDKMVQTCBFGX-UHFFFAOYSA-N -1 0 315.337 -0.181 20 0 DBADRM COc1ccc(C(=O)NCC(=O)N(C)c2nnn[n-]2)cc1OC ZINC001434233354 1002335319 /nfs/dbraw/zinc/33/53/19/1002335319.db2.gz ZQARPFVWFUVTJN-UHFFFAOYSA-N -1 0 320.309 -0.390 20 0 DBADRM NS(=O)(=O)NC1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC001434240304 1002337255 /nfs/dbraw/zinc/33/72/55/1002337255.db2.gz QDBZXFUOWXWYDW-UHFFFAOYSA-N -1 0 323.733 -0.198 20 0 DBADRM CC(C)[C@H](NC(=O)CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001591867633 1016605617 /nfs/dbraw/zinc/60/56/17/1016605617.db2.gz SYMSPKOTTCXAER-FOGDFJRCSA-N -1 0 322.427 -0.035 20 0 DBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)[N-]n1ccc(=O)[nH]c1=O ZINC001434246841 1002342748 /nfs/dbraw/zinc/34/27/48/1002342748.db2.gz VUQVHLHEYQIFQJ-UHFFFAOYSA-N -1 0 313.291 -0.362 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001434250438 1002345281 /nfs/dbraw/zinc/34/52/81/1002345281.db2.gz ZJODGKIWVYZBFP-LLVKDONJSA-N -1 0 313.354 -0.585 20 0 DBADRM CN(C)Cc1cc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)no1 ZINC001434270464 1002349452 /nfs/dbraw/zinc/34/94/52/1002349452.db2.gz MTCHQHPBRKQHPH-SNVBAGLBSA-N -1 0 307.314 -0.537 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)Cn1ccccc1=O)C(=O)[O-] ZINC001591878832 1016607159 /nfs/dbraw/zinc/60/71/59/1016607159.db2.gz PHAPAVHLTRJNHK-ZDUSSCGKSA-N -1 0 310.306 -0.383 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)c1 ZINC001434274074 1002351105 /nfs/dbraw/zinc/35/11/05/1002351105.db2.gz JDJCACPOBPQLTP-NSHDSACASA-N -1 0 316.321 -0.227 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)CS(=O)(=O)C(C)C)C(=O)[O-] ZINC001591877545 1016607308 /nfs/dbraw/zinc/60/73/08/1016607308.db2.gz FRZGOVTTWNZSJH-NSHDSACASA-N -1 0 323.367 -0.422 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](C)c1nnnn1C ZINC001414372210 1002354813 /nfs/dbraw/zinc/35/48/13/1002354813.db2.gz WBBFTRUPCNPKHL-SSDOTTSWSA-N -1 0 310.405 -0.387 20 0 DBADRM Cn1[nH]cnc1=NC(=O)N1CCC(n2c(=O)[n-][nH]c2=O)CC1 ZINC001414417883 1002365367 /nfs/dbraw/zinc/36/53/67/1002365367.db2.gz FQMSMPWEIGEPOO-UHFFFAOYSA-N -1 0 308.302 -0.891 20 0 DBADRM CC(C)[C@H](NC(=O)Cn1cnc2c(c1=O)CCCN2)C(=O)[O-] ZINC001591885272 1016610828 /nfs/dbraw/zinc/61/08/28/1016610828.db2.gz GNNLDHAZFHYDPH-NSHDSACASA-N -1 0 308.338 -0.173 20 0 DBADRM CC(C)n1cc(CNC(=O)c2c[n-]ncc2=O)c(=O)[nH]c1=O ZINC001434314151 1002373459 /nfs/dbraw/zinc/37/34/59/1002373459.db2.gz DYHLSUWJVBWYPD-UHFFFAOYSA-N -1 0 305.294 -0.045 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@]1(CO)CCOc2ccccc21 ZINC001414445923 1002373490 /nfs/dbraw/zinc/37/34/90/1002373490.db2.gz IAERIGRYLIXRCS-AWEZNQCLSA-N -1 0 318.337 -0.093 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H](CO)CC1CCOCC1 ZINC001425749894 1002373880 /nfs/dbraw/zinc/37/38/80/1002373880.db2.gz FAGXDLNOTPCRDN-NSHDSACASA-N -1 0 312.374 -0.338 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC001414445519 1002374316 /nfs/dbraw/zinc/37/43/16/1002374316.db2.gz DGPYVUYIOINMFN-HBNTYKKESA-N -1 0 312.374 -0.198 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N(C)CCNC(=O)N(C)C)n1 ZINC001591884400 1016611601 /nfs/dbraw/zinc/61/16/01/1016611601.db2.gz QJSJBASFDHHLSV-UHFFFAOYSA-N -1 0 305.346 -0.327 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(S(=O)(=O)CC)CC1 ZINC001414448183 1002376118 /nfs/dbraw/zinc/37/61/18/1002376118.db2.gz YUXKFSFWUZHMLS-UHFFFAOYSA-N -1 0 316.387 -0.454 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC001414447478 1002376774 /nfs/dbraw/zinc/37/67/74/1002376774.db2.gz SKXLSTFFGNHPSU-ZCFIWIBFSA-N -1 0 319.251 -0.369 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCC[C@H]1CCCS1(=O)=O ZINC001434325186 1002381569 /nfs/dbraw/zinc/38/15/69/1002381569.db2.gz YJUTVVYVXYQALZ-SECBINFHSA-N -1 0 301.372 -0.394 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(Cn2cnnc2)CC1 ZINC001425758792 1002383880 /nfs/dbraw/zinc/38/38/80/1002383880.db2.gz NDSFFGOAFGFZOS-UHFFFAOYSA-N -1 0 305.346 -0.350 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCC(S(C)(=O)=O)CC2)n1 ZINC001591886724 1016613176 /nfs/dbraw/zinc/61/31/76/1016613176.db2.gz BQJYHTSJDZRRCI-UHFFFAOYSA-N -1 0 323.382 -0.021 20 0 DBADRM CC(C)[C@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])CCN1C ZINC001591910612 1016614059 /nfs/dbraw/zinc/61/40/59/1016614059.db2.gz KOUSXVPWACBKRB-LLVKDONJSA-N -1 0 307.416 -0.090 20 0 DBADRM Cc1n[nH]c(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1C ZINC001434348025 1002407128 /nfs/dbraw/zinc/40/71/28/1002407128.db2.gz DTHKSIOMSWYUIS-UHFFFAOYSA-N -1 0 301.310 -0.272 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)CCCCS(N)(=O)=O)C(=O)[O-] ZINC001591904249 1016617260 /nfs/dbraw/zinc/61/72/60/1016617260.db2.gz ZKVMSAKYPONYGH-QMMMGPOBSA-N -1 0 316.401 -0.916 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)[C@@H](C)O ZINC001434361271 1002414465 /nfs/dbraw/zinc/41/44/65/1002414465.db2.gz YNMTZGDRZRBCDH-XCBNKYQSSA-N -1 0 305.290 -0.012 20 0 DBADRM COC[C@@H](NC(=O)Cc1c(C)cc(C)[nH]c1=O)c1nnn[n-]1 ZINC001434364379 1002416749 /nfs/dbraw/zinc/41/67/49/1002416749.db2.gz QMHBBNRZHLVQCK-SNVBAGLBSA-N -1 0 306.326 -0.036 20 0 DBADRM Cc1nc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)c(=O)[nH]c1C ZINC001434363736 1002417746 /nfs/dbraw/zinc/41/77/46/1002417746.db2.gz DCQTUESIGFMFGN-SNVBAGLBSA-N -1 0 317.353 -0.005 20 0 DBADRM CC(C)c1cc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])n(C)n1 ZINC001591925568 1016618802 /nfs/dbraw/zinc/61/88/02/1016618802.db2.gz BYVCBAJYDPICCY-LLVKDONJSA-N -1 0 308.338 -0.089 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CC[C@@H](C2OCCO2)C1 ZINC001434371464 1002425564 /nfs/dbraw/zinc/42/55/64/1002425564.db2.gz SBSRCYDJWADXKB-SSDOTTSWSA-N -1 0 300.340 -0.176 20 0 DBADRM C[C@]1([C@@H]2CCCN(C(=O)CCc3nnn[n-]3)C2)COC(=O)N1 ZINC001434372070 1002425982 /nfs/dbraw/zinc/42/59/82/1002425982.db2.gz ZXBWRIBPCFFYTQ-NOZJJQNGSA-N -1 0 308.342 -0.131 20 0 DBADRM Cc1cc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc(=O)[nH]1 ZINC001591965071 1016619031 /nfs/dbraw/zinc/61/90/31/1016619031.db2.gz KSYQVGIUDHMRQG-UHFFFAOYSA-N -1 0 315.297 -0.816 20 0 DBADRM CCc1cncc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001425788212 1002430917 /nfs/dbraw/zinc/43/09/17/1002430917.db2.gz YQFWOBNWEZFWCJ-LLVKDONJSA-N -1 0 320.353 -0.652 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001434384905 1002436871 /nfs/dbraw/zinc/43/68/71/1002436871.db2.gz GICQXYMFMPLYJF-QMMMGPOBSA-N -1 0 304.262 -0.177 20 0 DBADRM Cc1cc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)sn1 ZINC001591977910 1016621191 /nfs/dbraw/zinc/62/11/91/1016621191.db2.gz WOFHWDCPGSELRI-UHFFFAOYSA-N -1 0 305.323 -0.460 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCC2(CCOCC2)O1 ZINC001434401326 1002450570 /nfs/dbraw/zinc/45/05/70/1002450570.db2.gz XZGUUWTWPYJLQT-VIFPVBQESA-N -1 0 312.326 -0.466 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001414590133 1002453279 /nfs/dbraw/zinc/45/32/79/1002453279.db2.gz QZEHGQVKXIEHPV-JTQLQIEISA-N -1 0 323.353 -0.767 20 0 DBADRM CN1C(=O)Cc2cc(CNC(=O)CCc3nnn[n-]3)ccc21 ZINC001434416160 1002460861 /nfs/dbraw/zinc/46/08/61/1002460861.db2.gz SSVGGNMTACMBSO-UHFFFAOYSA-N -1 0 300.322 -0.032 20 0 DBADRM Cc1cc(=O)c(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cn1C ZINC001434427790 1002466854 /nfs/dbraw/zinc/46/68/54/1002466854.db2.gz GQSDFLILQLZLGR-UHFFFAOYSA-N -1 0 311.323 -0.532 20 0 DBADRM O=C(CC[C@H]1CC[C@H](C2OCCO2)O1)NCc1n[nH]c(=O)[n-]1 ZINC001434431310 1002469477 /nfs/dbraw/zinc/46/94/77/1002469477.db2.gz OIFSOILTKLUQFP-RKDXNWHRSA-N -1 0 312.326 -0.173 20 0 DBADRM O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)NCc1n[nH]c(=O)[n-]1 ZINC001434431309 1002469509 /nfs/dbraw/zinc/46/95/09/1002469509.db2.gz OIFSOILTKLUQFP-IUCAKERBSA-N -1 0 312.326 -0.173 20 0 DBADRM Cc1cc(NC(=O)COc2cnc(-c3nnn[n-]3)nc2)on1 ZINC001592017888 1016625309 /nfs/dbraw/zinc/62/53/09/1016625309.db2.gz KYXBZSDQBVWZLJ-UHFFFAOYSA-N -1 0 302.254 -0.029 20 0 DBADRM Nc1nc2nc(CN3CCS[C@@H]4COCC[C@H]43)cc(=O)n2[n-]1 ZINC001434462677 1002482432 /nfs/dbraw/zinc/48/24/32/1002482432.db2.gz MNROJQRBKAWRED-NXEZZACHSA-N -1 0 322.394 -0.294 20 0 DBADRM Nc1nc2nc(CN3CCOC[C@H]3[C@H]3CCCO3)cc(=O)n2[n-]1 ZINC001434468335 1002485627 /nfs/dbraw/zinc/48/56/27/1002485627.db2.gz BNLSXZHFITZLTR-WDEREUQCSA-N -1 0 320.353 -0.620 20 0 DBADRM Nc1nc2nc(CN3CCC[C@@H]3C3OCCO3)cc(=O)n2[n-]1 ZINC001434493316 1002504126 /nfs/dbraw/zinc/50/41/26/1002504126.db2.gz XDUOINOFGZQOEO-SECBINFHSA-N -1 0 306.326 -0.663 20 0 DBADRM CC(C)n1[nH]cnc1=NC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001592171838 1016630483 /nfs/dbraw/zinc/63/04/83/1016630483.db2.gz PRAAXGHNRJGOTM-SECBINFHSA-N -1 0 307.310 -0.491 20 0 DBADRM CC(C)n1nccc1NC(=O)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001592169696 1016632227 /nfs/dbraw/zinc/63/22/27/1016632227.db2.gz PNRKXMIVCWRVJA-ONGXEEELSA-N -1 0 324.337 -0.161 20 0 DBADRM Cc1noc([C@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)n1 ZINC001434549984 1002518047 /nfs/dbraw/zinc/51/80/47/1002518047.db2.gz RSMNWFHTZPVEKK-QQOXFEPMSA-N -1 0 311.389 -0.152 20 0 DBADRM Cc1nnc(C[N-]S(=O)(=O)N=S2(=O)CCCC2)n1C ZINC001434550316 1002518198 /nfs/dbraw/zinc/51/81/98/1002518198.db2.gz WKJMZONJCAOZBB-UHFFFAOYSA-N -1 0 307.401 -0.280 20 0 DBADRM Cc1noc([C@@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)n1 ZINC001434549982 1002519455 /nfs/dbraw/zinc/51/94/55/1002519455.db2.gz RSMNWFHTZPVEKK-DMWPKQFHSA-N -1 0 311.389 -0.152 20 0 DBADRM CC(C)n1nccc1NC(=O)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001592169695 1016633180 /nfs/dbraw/zinc/63/31/80/1016633180.db2.gz PNRKXMIVCWRVJA-MWLCHTKSSA-N -1 0 324.337 -0.161 20 0 DBADRM C[C@@H](C1CC1)N(C)C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001592178041 1016633513 /nfs/dbraw/zinc/63/35/13/1016633513.db2.gz AGAXKEFXWWTIOF-VIFPVBQESA-N -1 0 313.354 -0.660 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)c1occc1C(=O)OC)C(=O)OC ZINC001434560322 1002526554 /nfs/dbraw/zinc/52/65/54/1002526554.db2.gz UMSIBTZMSPKVHP-MRVPVSSYSA-N -1 0 321.307 -0.468 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](CO)CCOC ZINC001434561706 1002526793 /nfs/dbraw/zinc/52/67/93/1002526793.db2.gz AXTRCYHVFAVWHH-VIFPVBQESA-N -1 0 302.418 -0.274 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C)/C=C\C(=O)[O-] ZINC001592200453 1016634603 /nfs/dbraw/zinc/63/46/03/1016634603.db2.gz HIFLIDQZQAKEMH-LWTINBJPSA-N -1 0 322.383 -0.524 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)CC1(n2cnnn2)CCOCC1 ZINC001592192092 1016634704 /nfs/dbraw/zinc/63/47/04/1016634704.db2.gz LRQVSBCIEFQDKB-PBKGFPTLSA-N -1 0 309.326 -0.286 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-][C@@H](CO)[C@@H]1CCOC1 ZINC001434568935 1002534423 /nfs/dbraw/zinc/53/44/23/1002534423.db2.gz ZSSPHFMDNWEPKX-ZJUUUORDSA-N -1 0 312.413 -0.520 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001592200443 1016635160 /nfs/dbraw/zinc/63/51/60/1016635160.db2.gz HDEFGFIPYDHWDY-QEJZFVATSA-N -1 0 304.368 -0.197 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1cc(S(N)(=O)=O)cn1C ZINC001592206981 1016635568 /nfs/dbraw/zinc/63/55/68/1016635568.db2.gz XHWAODHPSQICPR-AVALRIAPSA-N -1 0 301.324 -0.568 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC001592194177 1016636304 /nfs/dbraw/zinc/63/63/04/1016636304.db2.gz TUYRLVWVFCLUMB-QKMQQOOLSA-N -1 0 306.322 -0.082 20 0 DBADRM NC(=O)[C@]1([N-]S(=O)(=O)Cc2noc(C3CC3)n2)CCOC1 ZINC001434581382 1002543660 /nfs/dbraw/zinc/54/36/60/1002543660.db2.gz KLGIPBPGKXAUDC-NSHDSACASA-N -1 0 316.339 -0.989 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]Cc1nc(C(N)=O)cs1 ZINC001434588445 1002547076 /nfs/dbraw/zinc/54/70/76/1002547076.db2.gz NFZPQLQUWVFTER-UHFFFAOYSA-N -1 0 312.398 -0.696 20 0 DBADRM C[C@H](CC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1)NC(N)=O ZINC001592228185 1016637702 /nfs/dbraw/zinc/63/77/02/1016637702.db2.gz ZZRCGVAHRFWUQM-ZJUUUORDSA-N -1 0 301.343 -0.084 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC2(C(=O)OC)CC2)on1 ZINC001434620478 1002559556 /nfs/dbraw/zinc/55/95/56/1002559556.db2.gz WJWUNRPSNYIHJA-UHFFFAOYSA-N -1 0 318.307 -0.307 20 0 DBADRM COC(=O)C(F)(F)C[N-]S(=O)(=O)N1CCC(OC)CC1 ZINC001434650940 1002564510 /nfs/dbraw/zinc/56/45/10/1002564510.db2.gz FETYXMANDLISNX-UHFFFAOYSA-N -1 0 316.326 -0.260 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@H]2C[C@@H]2C)c1[O-] ZINC001425921430 1002567969 /nfs/dbraw/zinc/56/79/69/1002567969.db2.gz IGOHZERDTBJKGJ-LSJOCFKGSA-N -1 0 324.381 -0.029 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)C[C@H]1CC(=O)NC1=O)c1ccccn1 ZINC001592281357 1016640461 /nfs/dbraw/zinc/64/04/61/1016640461.db2.gz VRJXCQNKVQYJGB-PSLIRLAXSA-N -1 0 319.317 -0.060 20 0 DBADRM Cc1ccn(CN2C[C@@H]3C[C@H]2C[S@]3=O)c(=O)c1-c1nnn[n-]1 ZINC001592268069 1016641408 /nfs/dbraw/zinc/64/14/08/1016641408.db2.gz XUBGEJBQYNPHIG-SQQOMWROSA-N -1 0 320.378 -0.500 20 0 DBADRM CC1(C(=O)NC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C2CC2)CC1 ZINC001414866372 1002577305 /nfs/dbraw/zinc/57/73/05/1002577305.db2.gz RQTAFVPDRCYTAJ-VIFPVBQESA-N -1 0 323.353 -0.500 20 0 DBADRM CCC(=O)N[C@@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001414869789 1002577671 /nfs/dbraw/zinc/57/76/71/1002577671.db2.gz VHXNIOOPRBVYAR-JTQLQIEISA-N -1 0 323.353 -0.364 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)CCn1cc[nH]c(=O)c1=O)C1CC1 ZINC001592282018 1016642115 /nfs/dbraw/zinc/64/21/15/1016642115.db2.gz ATYWLNPUZUUYPR-CQSZACIVSA-N -1 0 309.322 -0.314 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H](O)Cc1ccc(F)cc1 ZINC001434729853 1002579384 /nfs/dbraw/zinc/57/93/84/1002579384.db2.gz JFAOHNJDCUDFLY-NSHDSACASA-N -1 0 308.317 -0.021 20 0 DBADRM CC(C)C(=O)N[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001414873737 1002579557 /nfs/dbraw/zinc/57/95/57/1002579557.db2.gz JERWVXOEYVCGOS-SECBINFHSA-N -1 0 311.342 -0.644 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC001434730388 1002580580 /nfs/dbraw/zinc/58/05/80/1002580580.db2.gz SPOCLBJFYADYPK-QMMMGPOBSA-N -1 0 302.360 -0.844 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC1CCN(c2cccnn2)CC1 ZINC001434729903 1002580771 /nfs/dbraw/zinc/58/07/71/1002580771.db2.gz MTRYVKLZGZRVBF-UHFFFAOYSA-N -1 0 317.357 -0.305 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H](O)c1c(C)nn(C)c1C ZINC001434729387 1002580960 /nfs/dbraw/zinc/58/09/60/1002580960.db2.gz DEWANJPGRGHSQD-SECBINFHSA-N -1 0 308.346 -0.680 20 0 DBADRM Cc1ccnc(C(=O)Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)c1 ZINC001592271193 1016642423 /nfs/dbraw/zinc/64/24/23/1016642423.db2.gz UOWNHDUBFAAJKO-UHFFFAOYSA-N -1 0 313.277 -0.285 20 0 DBADRM Cc1cn2nc(NCCn3cnc(-c4nnn[n-]4)n3)sc2n1 ZINC001592288275 1016642534 /nfs/dbraw/zinc/64/25/34/1016642534.db2.gz WSONSKBMMFLNAS-UHFFFAOYSA-N -1 0 317.342 -0.017 20 0 DBADRM Cc1ccn(C[C@H]2CCS(=O)(=O)C2)c(=O)c1-c1nnn[n-]1 ZINC001592266803 1016642711 /nfs/dbraw/zinc/64/27/11/1016642711.db2.gz XMCDBWATCKAACL-SECBINFHSA-N -1 0 309.351 -0.228 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)Cn1cnc(N)n1)c1cccnc1 ZINC001592290486 1016643213 /nfs/dbraw/zinc/64/32/13/1016643213.db2.gz QNSADAYFEKKVKT-CYBMUJFWSA-N -1 0 304.310 -0.238 20 0 DBADRM Cc1ccn(CN2CN(C)C(=O)[C@@H]2C)c(=O)c1-c1nnn[n-]1 ZINC001592267287 1016643580 /nfs/dbraw/zinc/64/35/80/1016643580.db2.gz OGUWPCVIIQNBHN-VIFPVBQESA-N -1 0 303.326 -0.586 20 0 DBADRM Cc1csc2nc(Cn3cc(-c4nnn[n-]4)nn3)cc(=O)n12 ZINC001592324135 1016645344 /nfs/dbraw/zinc/64/53/44/1016645344.db2.gz SLJPJFFOXGSZQZ-UHFFFAOYSA-N -1 0 315.322 -0.116 20 0 DBADRM CCCCC(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001414953395 1002609487 /nfs/dbraw/zinc/60/94/87/1002609487.db2.gz OENYRGVTZHUWQS-KYZUINATSA-N -1 0 311.342 -0.357 20 0 DBADRM COCCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001415050492 1002639644 /nfs/dbraw/zinc/63/96/44/1002639644.db2.gz UTSJTYRKPIWFOP-JZYVYDRUSA-N -1 0 308.338 -0.353 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001434841764 1002642737 /nfs/dbraw/zinc/64/27/37/1002642737.db2.gz XAHRKRLQOKOEOZ-DTWKUNHWSA-N -1 0 308.342 -0.805 20 0 DBADRM CC(C)NC(=O)CNC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001434841672 1002643466 /nfs/dbraw/zinc/64/34/66/1002643466.db2.gz UBCLPBUKOMAGEP-JTQLQIEISA-N -1 0 322.369 -0.415 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC001592385415 1016654009 /nfs/dbraw/zinc/65/40/09/1016654009.db2.gz STQFMUNXZSZYER-ATEUNZGCSA-N -1 0 311.338 -0.018 20 0 DBADRM CC[C@@H](F)C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001426079158 1002673111 /nfs/dbraw/zinc/67/31/11/1002673111.db2.gz JOOFVBIYTWTIGM-RKDXNWHRSA-N -1 0 303.338 -0.491 20 0 DBADRM CC[C@H](F)C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001426079151 1002673991 /nfs/dbraw/zinc/67/39/91/1002673991.db2.gz JOOFVBIYTWTIGM-BDAKNGLRSA-N -1 0 303.338 -0.491 20 0 DBADRM Cc1nc([C@H](C)NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)no1 ZINC001592354915 1016655162 /nfs/dbraw/zinc/65/51/62/1016655162.db2.gz VCXJJKSVIABIKV-WDSKDSINSA-N -1 0 318.301 -0.412 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC001592403268 1016657293 /nfs/dbraw/zinc/65/72/93/1016657293.db2.gz VIGPOWZITPEWFE-JTQLQIEISA-N -1 0 314.338 -0.231 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)C(=O)NCC(F)F)CC1 ZINC001592406446 1016658316 /nfs/dbraw/zinc/65/83/16/1016658316.db2.gz RXXIBLBUJZFAHC-MRVPVSSYSA-N -1 0 307.297 -0.625 20 0 DBADRM CC[C@H](C)CC(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415154299 1002706108 /nfs/dbraw/zinc/70/61/08/1002706108.db2.gz TXUNTJQBGAZCGF-YUMQZZPRSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C2=CCS(=O)(=O)C2)CC1 ZINC001592406250 1016658991 /nfs/dbraw/zinc/65/89/91/1016658991.db2.gz QFSCLTLIVOSODC-JTQLQIEISA-N -1 0 316.379 -0.651 20 0 DBADRM C[C@@H](CNC(=O)c1c[n-]n2c1nccc2=O)NC(=O)[C@H]1C[C@@H]1C ZINC001415164581 1002713382 /nfs/dbraw/zinc/71/33/82/1002713382.db2.gz MUZHDNRHWRIZMT-GUBZILKMSA-N -1 0 317.349 -0.087 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)C[C@@H](C)CC(=O)[O-] ZINC001592387930 1016660344 /nfs/dbraw/zinc/66/03/44/1016660344.db2.gz IBLXVDGUCBZYCN-SECBINFHSA-N -1 0 309.388 -0.564 20 0 DBADRM Cc1nc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)nn1C ZINC001592393713 1016660843 /nfs/dbraw/zinc/66/08/43/1016660843.db2.gz IDNMEAJSXWZSDX-UHFFFAOYSA-N -1 0 321.326 -0.501 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001592427577 1016663120 /nfs/dbraw/zinc/66/31/20/1016663120.db2.gz MIMAPCGRDZKHJI-VIFPVBQESA-N -1 0 315.341 -0.426 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592428985 1016665265 /nfs/dbraw/zinc/66/52/65/1016665265.db2.gz QRUJUIQFCWAFLB-UHFFFAOYSA-N -1 0 316.329 -0.761 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001436680491 1002744136 /nfs/dbraw/zinc/74/41/36/1002744136.db2.gz JMVFVCOIPBKLMX-SNVBAGLBSA-N -1 0 310.358 -0.931 20 0 DBADRM C[C@H](CCNC(=O)[C@H]1C[C@@H]1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001495648258 1016670408 /nfs/dbraw/zinc/67/04/08/1016670408.db2.gz RBJJDVJEWPLKAO-YIZRAAEISA-N -1 0 311.342 -0.644 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)Cn2cnc(-c3nnn[n-]3)n2)o1 ZINC001592441950 1016670481 /nfs/dbraw/zinc/67/04/81/1016670481.db2.gz WGBWPLZGWPUHMZ-RXMQYKEDSA-N -1 0 304.274 -0.973 20 0 DBADRM CC(C)CC(=O)N[C@@H](C)[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001426395403 1002786741 /nfs/dbraw/zinc/78/67/41/1002786741.db2.gz DHTAJEJYMGLKPP-DTWKUNHWSA-N -1 0 313.358 -0.255 20 0 DBADRM COC[C@@H](OC)C(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001415260450 1002787626 /nfs/dbraw/zinc/78/76/26/1002787626.db2.gz QJPPZSWJDHLHMA-VXNVDRBHSA-N -1 0 314.342 -0.680 20 0 DBADRM Cc1nocc1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592465894 1016673593 /nfs/dbraw/zinc/67/35/93/1016673593.db2.gz GDVUVZOOQNDLSB-UHFFFAOYSA-N -1 0 304.274 -0.424 20 0 DBADRM C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001592463718 1016673729 /nfs/dbraw/zinc/67/37/29/1016673729.db2.gz HYAUICMSPBSCHV-DTWKUNHWSA-N -1 0 324.337 -0.012 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NCCCNc1ncc(C(=O)[O-])cn1 ZINC001592453273 1016674101 /nfs/dbraw/zinc/67/41/01/1016674101.db2.gz SVEVZRDSUHWUQO-MRVPVSSYSA-N -1 0 309.326 -0.396 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NC/C=C/CNc1ccnc(C(=O)[O-])n1 ZINC001592452163 1016674203 /nfs/dbraw/zinc/67/42/03/1016674203.db2.gz KZRJDEDPZBMHTF-GKQMSVHHSA-N -1 0 321.337 -0.808 20 0 DBADRM Cc1nonc1CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001592466793 1016674506 /nfs/dbraw/zinc/67/45/06/1016674506.db2.gz CCUXKIZRMMXHHW-LURJTMIESA-N -1 0 304.274 -0.973 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001592451608 1016675208 /nfs/dbraw/zinc/67/52/08/1016675208.db2.gz GJOVBRNEZMDTEY-QNSHHTMESA-N -1 0 321.337 -0.255 20 0 DBADRM C[C@H](NC(=O)c1cn[nH]n1)[C@H](C)NC(=O)c1ccc(=O)[nH]c1 ZINC001426491791 1002809799 /nfs/dbraw/zinc/80/97/99/1002809799.db2.gz VTXYJQAXHZSLCI-YUMQZZPRSA-N -1 0 304.310 -0.158 20 0 DBADRM C[C@](CCF)(NC(=O)c1ccc(-n2cnnn2)cn1)C(=O)[O-] ZINC001592497836 1016677170 /nfs/dbraw/zinc/67/71/70/1016677170.db2.gz IDEAXQPYKZUAPS-GFCCVEGCSA-N -1 0 308.273 -0.010 20 0 DBADRM C[C@@](CCF)(NC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)[O-] ZINC001592494926 1016677953 /nfs/dbraw/zinc/67/79/53/1016677953.db2.gz FCDONACPCWBYSK-LBPRGKRZSA-N -1 0 301.274 -0.754 20 0 DBADRM CC(C)C(=O)NC[C@@H](C)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001426571104 1002828623 /nfs/dbraw/zinc/82/86/23/1002828623.db2.gz BBYHFVKDEOHCSV-SECBINFHSA-N -1 0 310.354 -0.281 20 0 DBADRM CCn1nc(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)ccc1=O ZINC001597927360 1017215832 /nfs/dbraw/zinc/21/58/32/1017215832.db2.gz GBAZSODFLDPBMQ-RCOVLWMOSA-N -1 0 301.249 -0.041 20 0 DBADRM C[C@H](CCNC(=O)C1(C(N)=O)CC1)Nc1ncc(C(=O)[O-])cn1 ZINC001592513453 1016681144 /nfs/dbraw/zinc/68/11/44/1016681144.db2.gz PVFBJBSEDPJSLD-MRVPVSSYSA-N -1 0 321.337 -0.253 20 0 DBADRM C[C@@H](CCNC(=O)[C@H]1COCCO1)Nc1ccnc(C(=O)[O-])n1 ZINC001592513973 1016681219 /nfs/dbraw/zinc/68/12/19/1016681219.db2.gz WGPHCMMDTYCNQK-VHSXEESVSA-N -1 0 324.337 -0.681 20 0 DBADRM C[C@H](CCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)[S@@](C)=O ZINC001592512912 1016683129 /nfs/dbraw/zinc/68/31/29/1016683129.db2.gz JLIVAXSCNNYQAN-FDXSBTRWSA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)c1cnnn1C ZINC001592531008 1016684082 /nfs/dbraw/zinc/68/40/82/1016684082.db2.gz QAFIBDCTRLHLJL-MRVPVSSYSA-N -1 0 319.325 -0.076 20 0 DBADRM Cc1onc(CC(=O)[N-]OC2CCOCC2)c1-c1nn[nH]n1 ZINC001592516561 1016684104 /nfs/dbraw/zinc/68/41/04/1016684104.db2.gz VTPDWOFGOYFSTA-UHFFFAOYSA-N -1 0 308.298 -0.068 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)C(C)(C)C(N)=O ZINC001592520991 1016684329 /nfs/dbraw/zinc/68/43/29/1016684329.db2.gz SIIYWZASYGUYGP-MRVPVSSYSA-N -1 0 323.353 -0.585 20 0 DBADRM C[C@@H](CCNC(=O)c1cncn1C)Nc1ccnc(C(=O)[O-])n1 ZINC001592521580 1016685393 /nfs/dbraw/zinc/68/53/93/1016685393.db2.gz WGVFVAVYDKMSEG-VIFPVBQESA-N -1 0 318.337 -0.049 20 0 DBADRM CC[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC001426682867 1002868761 /nfs/dbraw/zinc/86/87/61/1002868761.db2.gz WNEPGSXORJMZLH-YIZRAAEISA-N -1 0 314.317 -0.527 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)[C@@H](C)C1CC1 ZINC001426748042 1002881246 /nfs/dbraw/zinc/88/12/46/1002881246.db2.gz XKMUNRLUVGORSJ-YUMQZZPRSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)[C@@H](C)C1CC1 ZINC001426748032 1002881436 /nfs/dbraw/zinc/88/14/36/1002881436.db2.gz XKMUNRLUVGORSJ-SFYZADRCSA-N -1 0 323.353 -0.094 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C(C)(C)F ZINC001415563907 1002881747 /nfs/dbraw/zinc/88/17/47/1002881747.db2.gz DNDHBBDZMSXDQI-UHFFFAOYSA-N -1 0 301.278 -0.781 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1CC2(CC2)C1 ZINC001415566168 1002883053 /nfs/dbraw/zinc/88/30/53/1002883053.db2.gz YWLIYHNUESCUON-UHFFFAOYSA-N -1 0 321.337 -0.339 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)C1=CCCC1 ZINC001426766653 1002886364 /nfs/dbraw/zinc/88/63/64/1002886364.db2.gz MAXBMEOQZSPYJY-SECBINFHSA-N -1 0 323.353 -0.237 20 0 DBADRM Cn1c(=O)[nH]c(NCc2cc[nH]c(=O)c2)c(-c2nnn[n-]2)c1=O ZINC001592544919 1016688231 /nfs/dbraw/zinc/68/82/31/1016688231.db2.gz DGKREQLXZINBFT-UHFFFAOYSA-N -1 0 316.281 -0.621 20 0 DBADRM Cn1c(=O)[nH]c(NOC[C@H]2CCOC2)c(-c2nnn[n-]2)c1=O ZINC001592545119 1016688871 /nfs/dbraw/zinc/68/88/71/1016688871.db2.gz MKRQAAJQVCMDTK-LURJTMIESA-N -1 0 309.286 -0.954 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001592537239 1016689401 /nfs/dbraw/zinc/68/94/01/1016689401.db2.gz IMQAOKFCSVDSLX-ZYUZMQFOSA-N -1 0 307.368 -0.196 20 0 DBADRM C[C@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)c1cnn(C)n1 ZINC001592531034 1016689411 /nfs/dbraw/zinc/68/94/11/1016689411.db2.gz QKTRMTRNOWSXBQ-MRVPVSSYSA-N -1 0 319.325 -0.076 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@@H](C)CCNc1ccnc(C(=O)[O-])n1 ZINC001592531040 1016690160 /nfs/dbraw/zinc/69/01/60/1016690160.db2.gz QPJHMNDXTKQEIW-BDAKNGLRSA-N -1 0 323.353 -0.585 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H]1CCNC1=O ZINC001592531265 1016690177 /nfs/dbraw/zinc/69/01/77/1016690177.db2.gz WQJPBEZGHPGJCX-DTWKUNHWSA-N -1 0 321.337 -0.961 20 0 DBADRM Cn1c(=O)[nH]c(NCC[C@@H](O)C2CC2)c(-c2nnn[n-]2)c1=O ZINC001592546964 1016691996 /nfs/dbraw/zinc/69/19/96/1016691996.db2.gz YQTYCABEOPIKPJ-SSDOTTSWSA-N -1 0 307.314 -0.761 20 0 DBADRM CCN(CCNC(=O)CNC(C)=O)C(=O)c1n[nH]c(C)c1[O-] ZINC001415637491 1002916848 /nfs/dbraw/zinc/91/68/48/1002916848.db2.gz JCHKRTQXAPKSIQ-UHFFFAOYSA-N -1 0 311.342 -0.862 20 0 DBADRM CNC(=O)CN(C)[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001437329447 1002931436 /nfs/dbraw/zinc/93/14/36/1002931436.db2.gz HKRJQRWLJDXTNM-SNVBAGLBSA-N -1 0 309.370 -0.294 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CCc2ccns2)c1=O ZINC001592558291 1016695302 /nfs/dbraw/zinc/69/53/02/1016695302.db2.gz ZVGLFGYMAUMTLJ-UHFFFAOYSA-N -1 0 305.323 -0.574 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2CCC[C@H](F)C2)n(C)c1=O ZINC001592556036 1016696385 /nfs/dbraw/zinc/69/63/85/1016696385.db2.gz YCMAZAXFIQQBBV-YUMQZZPRSA-N -1 0 323.332 -0.043 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2C[C@H]3CCC[C@H]32)n(C)c1=O ZINC001592555916 1016697063 /nfs/dbraw/zinc/69/70/63/1016697063.db2.gz UFUMEYHMEGPQPX-IWSPIJDZSA-N -1 0 317.353 -0.135 20 0 DBADRM C[C@H](CN(C)C(=O)CCc1nc(-c2nc[nH]n2)no1)C(=O)[O-] ZINC001592568099 1016707267 /nfs/dbraw/zinc/70/72/67/1016707267.db2.gz JIENCDTZZHEGEK-SSDOTTSWSA-N -1 0 308.298 -0.034 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@H]2CCSC2)n(C)c1=O ZINC001592555391 1016697365 /nfs/dbraw/zinc/69/73/65/1016697365.db2.gz IVOYSMMCKVMVHT-ZETCQYMHSA-N -1 0 323.382 -0.571 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCc2cccs2)n(C)c1=O ZINC001592555741 1016697511 /nfs/dbraw/zinc/69/75/11/1016697511.db2.gz SHSKMQIIPRPMIP-UHFFFAOYSA-N -1 0 319.350 -0.062 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2C[C@H]3CCC[C@@H]32)n(C)c1=O ZINC001592555915 1016697533 /nfs/dbraw/zinc/69/75/33/1016697533.db2.gz UFUMEYHMEGPQPX-HRDYMLBCSA-N -1 0 317.353 -0.135 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2CC(C)(C)CO2)c1=O ZINC001592558017 1016697875 /nfs/dbraw/zinc/69/78/75/1016697875.db2.gz KJJLPEDAHAFDMF-MRVPVSSYSA-N -1 0 306.326 -0.458 20 0 DBADRM Cc1noc(CCNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001415670183 1002945036 /nfs/dbraw/zinc/94/50/36/1002945036.db2.gz AEGWSVYOOMXQAS-UHFFFAOYSA-N -1 0 303.282 -0.878 20 0 DBADRM C[C@H](CN(C)C(=O)C(C)(C)C(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001592563887 1016699197 /nfs/dbraw/zinc/69/91/97/1016699197.db2.gz JSBFSELYKOVHCY-MRVPVSSYSA-N -1 0 323.353 -0.633 20 0 DBADRM C[S@@](=O)CCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001426939412 1002963694 /nfs/dbraw/zinc/96/36/94/1002963694.db2.gz GCXYRQWNIULZPP-ZPWHCFADSA-N -1 0 301.372 -0.222 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H](C)CC(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592563697 1016702532 /nfs/dbraw/zinc/70/25/32/1016702532.db2.gz CEXVSGWWJDJODH-RKDXNWHRSA-N -1 0 323.353 -0.055 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N(C)C[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001592563694 1016703826 /nfs/dbraw/zinc/70/38/26/1016703826.db2.gz CEXVSGWWJDJODH-BDAKNGLRSA-N -1 0 323.353 -0.055 20 0 DBADRM Cn1cc(C=CC(=O)NCCn2cnc(-c3nnn[n-]3)n2)cn1 ZINC001592567064 1016704515 /nfs/dbraw/zinc/70/45/15/1016704515.db2.gz PJIOBDDPNLPVEP-NSCUHMNNSA-N -1 0 314.313 -0.979 20 0 DBADRM Cn1cc(Cl)c(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC001592573718 1016705095 /nfs/dbraw/zinc/70/50/95/1016705095.db2.gz QHNSJEMWQVSKJK-UHFFFAOYSA-N -1 0 308.693 -0.516 20 0 DBADRM Cn1cc([C@@H](O)C(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)cn1 ZINC001592566921 1016705645 /nfs/dbraw/zinc/70/56/45/1016705645.db2.gz BBLJKHUAOJJXEI-LLVKDONJSA-N -1 0 315.293 -0.256 20 0 DBADRM C[C@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)c1cn(C)nn1 ZINC001592588567 1016709124 /nfs/dbraw/zinc/70/91/24/1016709124.db2.gz LIAZSYLVGVZABT-MRVPVSSYSA-N -1 0 319.325 -0.442 20 0 DBADRM Cn1cc([N-]S(=O)(=O)c2ccccc2-c2nn[nH]n2)nn1 ZINC001592574871 1016710581 /nfs/dbraw/zinc/71/05/81/1016710581.db2.gz QPIGLGROSLFDNE-UHFFFAOYSA-N -1 0 306.311 -0.204 20 0 DBADRM CC(C)C(=O)N(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001415872697 1003039739 /nfs/dbraw/zinc/03/97/39/1003039739.db2.gz LSZGMSAJCMCGOI-UHFFFAOYSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)Cn1cncn1 ZINC001592593456 1016715376 /nfs/dbraw/zinc/71/53/76/1016715376.db2.gz IBSPRJVHLSWGBY-SECBINFHSA-N -1 0 319.325 -0.593 20 0 DBADRM C[C@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)c1cnn(C)n1 ZINC001592594266 1016716484 /nfs/dbraw/zinc/71/64/84/1016716484.db2.gz ZYUDNLJCAIYCIV-MRVPVSSYSA-N -1 0 319.325 -0.442 20 0 DBADRM CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C2 ZINC001427242701 1003060320 /nfs/dbraw/zinc/06/03/20/1003060320.db2.gz WCVRIOVIHFUSSU-VWYCJHECSA-N -1 0 323.353 -0.263 20 0 DBADRM C[C@H](CC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1)n1cccn1 ZINC001437544578 1003063623 /nfs/dbraw/zinc/06/36/23/1003063623.db2.gz ZEBOGSZHCLSHKK-SNVBAGLBSA-N -1 0 307.358 -0.094 20 0 DBADRM Cn1cnnc1N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001592590732 1016717598 /nfs/dbraw/zinc/71/75/98/1016717598.db2.gz DPRPRULCZNCFIB-UHFFFAOYSA-N -1 0 313.329 -0.888 20 0 DBADRM CCNC(=O)CCC(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001415987697 1003070256 /nfs/dbraw/zinc/07/02/56/1003070256.db2.gz ZEQAGPQUJZYENC-UHFFFAOYSA-N -1 0 323.353 -0.719 20 0 DBADRM Cn1ncc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001592601056 1016721045 /nfs/dbraw/zinc/72/10/45/1016721045.db2.gz FSTXNIOMOPHZJT-UHFFFAOYSA-N -1 0 310.299 -0.933 20 0 DBADRM CCn1nc(C)c(C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)n1 ZINC001597934916 1017217613 /nfs/dbraw/zinc/21/76/13/1017217613.db2.gz XUZHPHDIAVGYQQ-JTQLQIEISA-N -1 0 312.326 -0.011 20 0 DBADRM C[C@@H]1Oc2ccccc2N(CC(=O)N(C)c2nnn[n-]2)C1=O ZINC001437665822 1003125440 /nfs/dbraw/zinc/12/54/40/1003125440.db2.gz MGKQNRVEXOJITR-QMMMGPOBSA-N -1 0 302.294 -0.023 20 0 DBADRM C[C@H](CN1CCOCC1)C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001592623336 1016729363 /nfs/dbraw/zinc/72/93/63/1016729363.db2.gz HBHQLYPDNQSOTM-DOMZBBRYSA-N -1 0 324.381 -0.189 20 0 DBADRM CC[C@@H](C)C(=O)N(C)C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001427477413 1003144330 /nfs/dbraw/zinc/14/43/30/1003144330.db2.gz WDMWNQSRQXZLNA-BDAKNGLRSA-N -1 0 313.358 -0.302 20 0 DBADRM C[C@H](CNC(=O)Cc1cncn1C)Nc1ccnc(C(=O)[O-])n1 ZINC001592653843 1016738729 /nfs/dbraw/zinc/73/87/29/1016738729.db2.gz BFXUFRMIAGAFGB-SECBINFHSA-N -1 0 318.337 -0.511 20 0 DBADRM O=C(Cc1ccon1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001437703148 1003149626 /nfs/dbraw/zinc/14/96/26/1003149626.db2.gz QQUBHOCZMXAHAW-SECBINFHSA-N -1 0 306.326 -0.321 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001437711028 1003162350 /nfs/dbraw/zinc/16/23/50/1003162350.db2.gz ZQEZGRPFKXGQNW-ZJUUUORDSA-N -1 0 320.357 -0.699 20 0 DBADRM C[C@@H](CNC(=O)[C@@H](C)CC(N)=O)CNc1ccnc(C(=O)[O-])n1 ZINC001592636298 1016733217 /nfs/dbraw/zinc/73/32/17/1016733217.db2.gz OWIAAHJWQREFBM-BDAKNGLRSA-N -1 0 323.353 -0.728 20 0 DBADRM CCn1ccnc1C(=O)N(C)C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001427538335 1003184821 /nfs/dbraw/zinc/18/48/21/1003184821.db2.gz OQBCXRLONWSSKQ-SECBINFHSA-N -1 0 305.342 -0.088 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCNC1=O)N(C)c1ncc(C(=O)[O-])cn1 ZINC001592647655 1016733310 /nfs/dbraw/zinc/73/33/10/1016733310.db2.gz LXGFQWILURRXIO-SCZZXKLOSA-N -1 0 321.337 -0.748 20 0 DBADRM C[C@@H](CNC(=O)C1(C(N)=O)CC1)Nc1ncc(C(=O)[O-])cn1 ZINC001592640483 1016733632 /nfs/dbraw/zinc/73/36/32/1016733632.db2.gz IVERYTKLPORJCW-ZETCQYMHSA-N -1 0 307.310 -0.643 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1)C(=O)[O-] ZINC001592635911 1016733791 /nfs/dbraw/zinc/73/37/91/1016733791.db2.gz FMWIUBOVNCZRFY-QMMMGPOBSA-N -1 0 322.321 -0.441 20 0 DBADRM C[C@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1ncon1 ZINC001592650316 1016733902 /nfs/dbraw/zinc/73/39/02/1016733902.db2.gz BVFKKNPDDHDYRD-RKDXNWHRSA-N -1 0 310.310 -0.388 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NC[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001592636299 1016734480 /nfs/dbraw/zinc/73/44/80/1016734480.db2.gz OWIAAHJWQREFBM-DTWKUNHWSA-N -1 0 323.353 -0.728 20 0 DBADRM C[C@@H](CNC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001592640956 1016734982 /nfs/dbraw/zinc/73/49/82/1016734982.db2.gz SCKMUBADMBOFRJ-QMMMGPOBSA-N -1 0 302.327 -0.195 20 0 DBADRM C[C@@H](CNC(=O)CNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC001592654498 1016736032 /nfs/dbraw/zinc/73/60/32/1016736032.db2.gz XUZXSDJULYDORB-QMMMGPOBSA-N -1 0 301.324 -0.803 20 0 DBADRM C[C@@H](CNC(=O)CN1CCCC1=O)Nc1ccnc(C(=O)[O-])n1 ZINC001592651408 1016736299 /nfs/dbraw/zinc/73/62/99/1016736299.db2.gz XHEYRAQXBIWXBL-VIFPVBQESA-N -1 0 321.337 -0.864 20 0 DBADRM C[C@@H](CNC(=O)Cc1ccon1)CNc1ccnc(C(=O)[O-])n1 ZINC001592653639 1016736428 /nfs/dbraw/zinc/73/64/28/1016736428.db2.gz JVJTZFWOHNTYDV-SECBINFHSA-N -1 0 319.321 -0.008 20 0 DBADRM C[C@@H](CNC(=O)COCC1CC1)Nc1ccnc(C(=O)[O-])n1 ZINC001592653682 1016736859 /nfs/dbraw/zinc/73/68/59/1016736859.db2.gz NEFGKOOTNIONRG-VIFPVBQESA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@@H](CNC(=O)CO[C@H]1CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001592654113 1016737215 /nfs/dbraw/zinc/73/72/15/1016737215.db2.gz SCOMBJFFWTUMIO-UWVGGRQHSA-N -1 0 324.337 -0.681 20 0 DBADRM CCC(=O)NC[C@@H](CC)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001416166361 1003219799 /nfs/dbraw/zinc/21/97/99/1003219799.db2.gz UVPHYGXCSWWBND-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001437805453 1003230186 /nfs/dbraw/zinc/23/01/86/1003230186.db2.gz YGABGFZWTHJLIS-SNVBAGLBSA-N -1 0 322.369 -0.788 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1ncc(C(=O)[O-])cn1 ZINC001592688666 1016746790 /nfs/dbraw/zinc/74/67/90/1016746790.db2.gz IUEBBEFVDCCQTL-SCZZXKLOSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1ccnc(C(=O)[O-])n1 ZINC001592688780 1016747588 /nfs/dbraw/zinc/74/75/88/1016747588.db2.gz NFSUSZASAWIBQX-DTWKUNHWSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@H](CNC(=O)c1cn(C)cn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592702443 1016751900 /nfs/dbraw/zinc/75/19/00/1016751900.db2.gz YCIJNEJZTGPQBX-MRVPVSSYSA-N -1 0 304.310 -0.439 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CCCF ZINC001416264887 1003289091 /nfs/dbraw/zinc/28/90/91/1003289091.db2.gz GAGPJLAZTLIZBA-MRVPVSSYSA-N -1 0 317.321 -0.550 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001416279509 1003298019 /nfs/dbraw/zinc/29/80/19/1003298019.db2.gz OICUJLKMYVVWSN-GUBZILKMSA-N -1 0 322.365 -0.234 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)C1CCC1 ZINC001416421691 1003322900 /nfs/dbraw/zinc/32/29/00/1003322900.db2.gz NEMLQMPAVQWMAG-QMMMGPOBSA-N -1 0 311.342 -0.642 20 0 DBADRM CO[C@@H](C)CN1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001438062113 1003336733 /nfs/dbraw/zinc/33/67/33/1003336733.db2.gz KBMYPEJFAWZATJ-QMMMGPOBSA-N -1 0 311.342 -0.949 20 0 DBADRM O=C(CCc1c[nH]cn1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438117802 1003352938 /nfs/dbraw/zinc/35/29/38/1003352938.db2.gz GMEXUSPWOALASQ-UHFFFAOYSA-N -1 0 305.342 -0.586 20 0 DBADRM CC(C)[C@H](CNC(=O)C(F)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001416556483 1003353468 /nfs/dbraw/zinc/35/34/68/1003353468.db2.gz RFAUYEGJEWBKEX-LURJTMIESA-N -1 0 321.284 -0.789 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001416632639 1003363095 /nfs/dbraw/zinc/36/30/95/1003363095.db2.gz KXZRCRVCHUZOJS-NXEZZACHSA-N -1 0 322.365 -0.328 20 0 DBADRM CCC(=O)N(C)CCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001416626806 1003364044 /nfs/dbraw/zinc/36/40/44/1003364044.db2.gz GGCZMRPSPMYTLK-UHFFFAOYSA-N -1 0 305.338 -0.037 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)C2CC(C)C2)c1[O-] ZINC001427903031 1003436917 /nfs/dbraw/zinc/43/69/17/1003436917.db2.gz OQXJMFCFPVORJT-GDRRJGKNSA-N -1 0 310.354 -0.323 20 0 DBADRM NC(=O)CC1CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001592726272 1016771737 /nfs/dbraw/zinc/77/17/37/1016771737.db2.gz QWQAAFNIONALRG-UHFFFAOYSA-N -1 0 302.294 -0.480 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)CCCC(N)=O ZINC001592729298 1016772969 /nfs/dbraw/zinc/77/29/69/1016772969.db2.gz MEACUZGUHPAYMY-SECBINFHSA-N -1 0 323.353 -0.489 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001416749792 1003457716 /nfs/dbraw/zinc/45/77/16/1003457716.db2.gz PMTQFTVCFJGBMA-HTQZYQBOSA-N -1 0 302.306 -0.621 20 0 DBADRM NC(=O)Cn1ccc(NC(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001592729165 1016773892 /nfs/dbraw/zinc/77/38/92/1016773892.db2.gz GOLBYBAYNRVCFM-UHFFFAOYSA-N -1 0 302.254 -0.606 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001592728555 1016774109 /nfs/dbraw/zinc/77/41/09/1016774109.db2.gz HRMXHLMZVBFWKY-SFYZADRCSA-N -1 0 324.341 -0.510 20 0 DBADRM NC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001592730283 1016778205 /nfs/dbraw/zinc/77/82/05/1016778205.db2.gz WBDOZBMVFGVUDJ-QMMMGPOBSA-N -1 0 317.309 -0.545 20 0 DBADRM CC(=O)N[C@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001427954905 1003506968 /nfs/dbraw/zinc/50/69/68/1003506968.db2.gz RGSKBNGUMJLFLQ-SNVBAGLBSA-N -1 0 309.326 -0.754 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001592733897 1016780487 /nfs/dbraw/zinc/78/04/87/1016780487.db2.gz KOKYMDJZJOIIHU-UHFFFAOYSA-N -1 0 317.363 -0.205 20 0 DBADRM C[C@](CO)(NC(=O)[C@@H]1Cc2cc(F)ccc2NC1=O)C(=O)[O-] ZINC001592741089 1016783486 /nfs/dbraw/zinc/78/34/86/1016783486.db2.gz FQHXXEUKTHOMNF-YMTOWFKASA-N -1 0 310.281 -0.112 20 0 DBADRM C[C@@](CO)(NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC001592742089 1016783848 /nfs/dbraw/zinc/78/38/48/1016783848.db2.gz MOXMUMXZYBKYNI-KWQFWETISA-N -1 0 305.352 -0.847 20 0 DBADRM C[C@@](CO)(NC(=O)Cc1ccc(-n2cnnc2)cc1)C(=O)[O-] ZINC001592740578 1016784315 /nfs/dbraw/zinc/78/43/15/1016784315.db2.gz ZHYHWQNHKWSULP-AWEZNQCLSA-N -1 0 304.306 -0.238 20 0 DBADRM C[C@](CO)(NC(=O)Cc1csc(-c2nc[nH]n2)n1)C(=O)[O-] ZINC001592738349 1016784849 /nfs/dbraw/zinc/78/48/49/1016784849.db2.gz BIOPDLZXDKXTDW-LLVKDONJSA-N -1 0 311.323 -0.578 20 0 DBADRM O=C(Cc1ccco1)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001438593361 1003535929 /nfs/dbraw/zinc/53/59/29/1003535929.db2.gz YYRXXNYXZBXENJ-NSHDSACASA-N -1 0 321.337 -0.337 20 0 DBADRM C[C@@](CO)(NC(=O)Cn1cc(Br)cn1)C(=O)[O-] ZINC001592738951 1016786187 /nfs/dbraw/zinc/78/61/87/1016786187.db2.gz ISPSNYMEDSNUJE-VIFPVBQESA-N -1 0 306.116 -0.403 20 0 DBADRM CC(C)(C)c1cc(C(=O)N[C@](C)(CO)C(=O)[O-])nc2ncnn21 ZINC001592738653 1016786409 /nfs/dbraw/zinc/78/64/09/1016786409.db2.gz FDQAXQIDWCVFJH-CQSZACIVSA-N -1 0 321.337 -0.013 20 0 DBADRM C[C@@](CO)(NC(=O)CSCC(=O)N1CCCCC1)C(=O)[O-] ZINC001592744405 1016788050 /nfs/dbraw/zinc/78/80/50/1016788050.db2.gz YQBVKOJZRSHGFO-ZDUSSCGKSA-N -1 0 318.395 -0.316 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001416813030 1003553062 /nfs/dbraw/zinc/55/30/62/1003553062.db2.gz GLZDILCGCMIPNT-MRVPVSSYSA-N -1 0 320.353 -0.137 20 0 DBADRM CCn1ncnc1CN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001597969206 1017219661 /nfs/dbraw/zinc/21/96/61/1017219661.db2.gz DPCUXMZTKIDWAK-MNOVXSKESA-N -1 0 307.354 -0.337 20 0 DBADRM C[C@@](CO)(NC(=O)/C=C/c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC001592744068 1016789840 /nfs/dbraw/zinc/78/98/40/1016789840.db2.gz XTBLTSZUYBJMKH-PYEVWLCESA-N -1 0 317.319 -0.352 20 0 DBADRM C[C@](CO)(NC(=O)CSCC(=O)N1CCCCC1)C(=O)[O-] ZINC001592744404 1016790199 /nfs/dbraw/zinc/79/01/99/1016790199.db2.gz YQBVKOJZRSHGFO-CYBMUJFWSA-N -1 0 318.395 -0.316 20 0 DBADRM C[C@@](CO)(NCC(=O)NCc1ccc2c(c1)OCO2)C(=O)[O-] ZINC001592751163 1016794057 /nfs/dbraw/zinc/79/40/57/1016794057.db2.gz YHWSWMLEICQUDY-AWEZNQCLSA-N -1 0 310.306 -0.543 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@@H]2CCC(=O)N2C)c1[O-] ZINC001416846382 1003591583 /nfs/dbraw/zinc/59/15/83/1003591583.db2.gz PQLDXTYJUXTIHK-APPZFPTMSA-N -1 0 323.353 -0.721 20 0 DBADRM Nc1ccnc(CNC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)n1 ZINC001592760563 1016795266 /nfs/dbraw/zinc/79/52/66/1016795266.db2.gz CDSMZPMDHJYFSV-UHFFFAOYSA-N -1 0 312.293 -0.126 20 0 DBADRM C[C@@H](CO)C1CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001592756321 1016795366 /nfs/dbraw/zinc/79/53/66/1016795366.db2.gz VFGWPBFAIHVZGA-DLOVCJGASA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H](C1CC1)[C@]1(CO)CCCO1)C(=O)[O-] ZINC001592807195 1016804537 /nfs/dbraw/zinc/80/45/37/1016804537.db2.gz LKNPZPRPDXWHOQ-SUZMYJTESA-N -1 0 321.395 -0.053 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-] ZINC001592756879 1016796786 /nfs/dbraw/zinc/79/67/86/1016796786.db2.gz ZDODVJZHOVEVRP-GFCCVEGCSA-N -1 0 315.303 -0.529 20 0 DBADRM C[C@@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC1 ZINC001416866427 1003603271 /nfs/dbraw/zinc/60/32/71/1003603271.db2.gz CVTWVVWGNASIIK-ZETCQYMHSA-N -1 0 309.326 -0.754 20 0 DBADRM CC(C)C(=O)N[C@@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001416873188 1003609017 /nfs/dbraw/zinc/60/90/17/1003609017.db2.gz UIRPHOYSNQIDBB-VIFPVBQESA-N -1 0 320.353 -0.652 20 0 DBADRM C[C@H](CO)CCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001592757224 1016799210 /nfs/dbraw/zinc/79/92/10/1016799210.db2.gz IVGICGVKDJTJED-DCAQKATOSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](CS(=O)(=O)Cc1nnnn1CC(F)(F)F)C(=O)[O-] ZINC001592787893 1016799588 /nfs/dbraw/zinc/79/95/88/1016799588.db2.gz LIOROWDOKKOPBQ-RXMQYKEDSA-N -1 0 316.261 -0.129 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2n[nH]cc2F)c1[O-] ZINC001416885236 1003620592 /nfs/dbraw/zinc/62/05/92/1003620592.db2.gz QTURIFRIJLTGPN-YFKPBYRVSA-N -1 0 310.289 -0.166 20 0 DBADRM O=C(C=Cc1nccs1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592803085 1016804622 /nfs/dbraw/zinc/80/46/22/1016804622.db2.gz IWONFNKYSFXNFP-OWOJBTEDSA-N -1 0 317.338 -0.256 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)Cc2cc[nH]n2)c1[O-] ZINC001416884598 1003621528 /nfs/dbraw/zinc/62/15/28/1003621528.db2.gz LIZMHCINVOHCLW-ZETCQYMHSA-N -1 0 306.326 -0.376 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001592771367 1016800450 /nfs/dbraw/zinc/80/04/50/1016800450.db2.gz DNGQJTSSHHQARI-ZNSHCXBVSA-N -1 0 314.338 -0.724 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@@]2(C)CNC(=O)C2)c1[O-] ZINC001495955067 1016800992 /nfs/dbraw/zinc/80/09/92/1016800992.db2.gz CNCPSMWQNLWWMG-CQSZACIVSA-N -1 0 323.353 -0.862 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2cn(C)nn2)c1[O-] ZINC001495955419 1016801255 /nfs/dbraw/zinc/80/12/55/1016801255.db2.gz GOKCXVMAAQHHAJ-UHFFFAOYSA-N -1 0 307.314 -0.946 20 0 DBADRM C[C@H](CS(=O)(=O)N1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C)C(=O)[O-] ZINC001592789021 1016802399 /nfs/dbraw/zinc/80/23/99/1016802399.db2.gz ALJKGYLAHBDZSI-ZYUZMQFOSA-N -1 0 306.384 -0.024 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[C@H](n2ccnn2)C1)C(=O)[O-] ZINC001592799178 1016802782 /nfs/dbraw/zinc/80/27/82/1016802782.db2.gz SUVIKFVPWXXJHT-UWVGGRQHSA-N -1 0 302.356 -0.035 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)C(=O)[O-] ZINC001592789697 1016803199 /nfs/dbraw/zinc/80/31/99/1016803199.db2.gz MQDDMGGEDYZWGK-RGOKHQFPSA-N -1 0 304.368 -0.377 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCCN(C(=O)C2CC2)CC1)C(=O)[O-] ZINC001592799773 1016804811 /nfs/dbraw/zinc/80/48/11/1016804811.db2.gz ZPKOKVPNAJSXAK-JTQLQIEISA-N -1 0 318.395 -0.019 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC([C@H](F)C(N)=O)CC1)C(=O)[O-] ZINC001592799582 1016803662 /nfs/dbraw/zinc/80/36/62/1016803662.db2.gz VPYLTMAGRKUEHW-CBAPKCEASA-N -1 0 310.347 -0.428 20 0 DBADRM C[C@@H](CS(=O)(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1)C(=O)[O-] ZINC001592799459 1016803711 /nfs/dbraw/zinc/80/37/11/1016803711.db2.gz CQDSOUZOKHBEDX-AUTRQRHGSA-N -1 0 304.368 -0.376 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCO[C@H](Cn2ccnn2)C1)C(=O)[O-] ZINC001592801197 1016803799 /nfs/dbraw/zinc/80/37/99/1016803799.db2.gz ZKZJAPARBMVOCN-NXEZZACHSA-N -1 0 318.355 -0.971 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCOC[C@@H]1c1ccnn1C)C(=O)[O-] ZINC001592800135 1016804093 /nfs/dbraw/zinc/80/40/93/1016804093.db2.gz KVCFFJYMYOAZFH-MWLCHTKSSA-N -1 0 317.367 -0.156 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@@H](C)C(=O)NCC(F)(F)F)C(=O)[O-] ZINC001592800579 1016804891 /nfs/dbraw/zinc/80/48/91/1016804891.db2.gz OOOOMOABGDFJEV-WDSKDSINSA-N -1 0 320.289 -0.307 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001592814682 1016805539 /nfs/dbraw/zinc/80/55/39/1016805539.db2.gz WXNGNCLPPDXVPZ-ZETCQYMHSA-N -1 0 315.351 -0.286 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC001592815953 1016806540 /nfs/dbraw/zinc/80/65/40/1016806540.db2.gz NDJJSCBRDSTIQA-SCZZXKLOSA-N -1 0 323.367 -0.564 20 0 DBADRM C[C@H](CS(C)(=O)=O)N1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001592815908 1016806726 /nfs/dbraw/zinc/80/67/26/1016806726.db2.gz KTOFIVUJVSFDPX-HLTSFMKQSA-N -1 0 318.351 -0.453 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001592822072 1016807738 /nfs/dbraw/zinc/80/77/38/1016807738.db2.gz DQZPWTSBMWAZTP-ZPWHCFADSA-N -1 0 307.372 -0.966 20 0 DBADRM O=C(CCNc1ccnc(-c2nnn[n-]2)n1)N1CCCCC1 ZINC001592844796 1016808317 /nfs/dbraw/zinc/80/83/17/1016808317.db2.gz JSGRECBJMDXESG-UHFFFAOYSA-N -1 0 302.342 -0.107 20 0 DBADRM O=C(CCc1nnn[n-]1)NOc1cccc(-c2nn[nH]n2)c1 ZINC001592857416 1016808574 /nfs/dbraw/zinc/80/85/74/1016808574.db2.gz KDZQOUOSLMIJST-UHFFFAOYSA-N -1 0 301.270 -0.577 20 0 DBADRM C[C@H](C[S@](C)=O)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001592823087 1016808669 /nfs/dbraw/zinc/80/86/69/1016808669.db2.gz XIKYDYJDEIODOL-MDTSDYNXSA-N -1 0 306.365 -0.175 20 0 DBADRM O=C(CN1CCNCC1=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC001592869193 1016810803 /nfs/dbraw/zinc/81/08/03/1016810803.db2.gz UERMQQJZHPQJFP-UHFFFAOYSA-N -1 0 301.310 -0.763 20 0 DBADRM C[C@@H](CNC(=O)C1CC1)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001416929321 1003698336 /nfs/dbraw/zinc/69/83/36/1003698336.db2.gz MLCMWYLAYJFHSL-QMMMGPOBSA-N -1 0 318.337 -0.898 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)[C@@H](C)c2nnnn2C)c1[O-] ZINC001438864255 1003704942 /nfs/dbraw/zinc/70/49/42/1003704942.db2.gz DUMKSBXEDMEDJU-VIFPVBQESA-N -1 0 322.373 -0.288 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)CC1(O)CCOCC1)C(=O)[O-] ZINC001592916810 1016815408 /nfs/dbraw/zinc/81/54/08/1016815408.db2.gz JQXWWDREMIMZGW-ZDUSSCGKSA-N -1 0 311.338 -0.226 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@H]1[C@@H]1CCCOC1 ZINC001592940799 1016820971 /nfs/dbraw/zinc/82/09/71/1016820971.db2.gz ZZCVPKPTHFQUKR-ZJUUUORDSA-N -1 0 318.341 -0.514 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@H](O)CC12CCC2 ZINC001592940436 1016821336 /nfs/dbraw/zinc/82/13/36/1016821336.db2.gz HSIUDPOYDXLIGC-SECBINFHSA-N -1 0 318.341 -0.636 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cnc2ccnn2c1 ZINC001592941412 1016822006 /nfs/dbraw/zinc/82/20/06/1016822006.db2.gz LTKGAQJYXVQJGK-UHFFFAOYSA-N -1 0 311.269 -0.860 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001592925994 1016816790 /nfs/dbraw/zinc/81/67/90/1016816790.db2.gz MUWFWINAWIZSCK-MXWKQRLJSA-N -1 0 308.338 -0.291 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001592930356 1016816825 /nfs/dbraw/zinc/81/68/25/1016816825.db2.gz ADJNHYSZVDEZNU-NOZJJQNGSA-N -1 0 309.326 -0.894 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001592925992 1016817818 /nfs/dbraw/zinc/81/78/18/1016817818.db2.gz MUWFWINAWIZSCK-GARJFASQSA-N -1 0 308.338 -0.291 20 0 DBADRM CCO[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1)C1CC1 ZINC001428211608 1003757315 /nfs/dbraw/zinc/75/73/15/1003757315.db2.gz QKEBYTJHMOTISN-NHCYSSNCSA-N -1 0 307.354 -0.003 20 0 DBADRM O=C(Cn1cnnc1-c1nnn[n-]1)NCCOc1ccccc1 ZINC001592942048 1016822858 /nfs/dbraw/zinc/82/28/58/1016822858.db2.gz DHOIEEBYGKSDKB-UHFFFAOYSA-N -1 0 314.309 -0.347 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)nn1)N1CCO[C@H]2CCCC[C@@H]21 ZINC001592936220 1016818476 /nfs/dbraw/zinc/81/84/76/1016818476.db2.gz IQTQKGVUYACDBX-QWRGUYRKSA-N -1 0 318.341 -0.372 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001592931619 1016818585 /nfs/dbraw/zinc/81/85/85/1016818585.db2.gz YEAKGUFGQMDHSS-MNOVXSKESA-N -1 0 308.338 -0.289 20 0 DBADRM O=C(Cc1cscn1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592933118 1016818746 /nfs/dbraw/zinc/81/87/46/1016818746.db2.gz AFBIQVMFBHFXSI-UHFFFAOYSA-N -1 0 305.327 -0.726 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCOC12CCCC2 ZINC001592939416 1016818877 /nfs/dbraw/zinc/81/88/77/1016818877.db2.gz ALGRUNMMMBHYLD-SECBINFHSA-N -1 0 318.341 -0.324 20 0 DBADRM CC(F)(F)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001592934719 1016819017 /nfs/dbraw/zinc/81/90/17/1016819017.db2.gz QUOONCYABAJZKY-HXLXBVJFSA-N -1 0 302.277 -0.065 20 0 DBADRM CC(F)(F)CC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001592936202 1016819062 /nfs/dbraw/zinc/81/90/62/1016819062.db2.gz QZNZHVZKGQAVBY-BQBZGAKWSA-N -1 0 319.264 -0.362 20 0 DBADRM O=C(Cn1c2c(cc(-c3nnn[n-]3)c1=O)CCC2)NC1CC1 ZINC001592934076 1016819076 /nfs/dbraw/zinc/81/90/76/1016819076.db2.gz CBUFMOQYWIYSCE-UHFFFAOYSA-N -1 0 300.322 -0.204 20 0 DBADRM CC(F)(F)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001592934715 1016819802 /nfs/dbraw/zinc/81/98/02/1016819802.db2.gz QUOONCYABAJZKY-DMAGGPPCSA-N -1 0 302.277 -0.065 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001592940463 1016820823 /nfs/dbraw/zinc/82/08/23/1016820823.db2.gz IOCCGUGLDYUCLM-NXEZZACHSA-N -1 0 318.341 -0.514 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1C(=O)C1=CCCC1 ZINC001417051038 1003803032 /nfs/dbraw/zinc/80/30/32/1003803032.db2.gz KAVDPJNIKOPFSI-SNVBAGLBSA-N -1 0 321.337 -0.483 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCC(C(=O)[O-])CC1)c1ncn(C)n1 ZINC001592972052 1016827283 /nfs/dbraw/zinc/82/72/83/1016827283.db2.gz SLSMAQXADUMZAB-MRVPVSSYSA-N -1 0 309.326 -0.685 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCC(C(=O)[O-])CC1)c1cnn(C)c1 ZINC001592970913 1016827304 /nfs/dbraw/zinc/82/73/04/1016827304.db2.gz MSMFLLCDTHDBOC-SECBINFHSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ncnn1C ZINC001592981505 1016827319 /nfs/dbraw/zinc/82/73/19/1016827319.db2.gz VDLTXQMPKRXSFL-IWSPIJDZSA-N -1 0 309.326 -0.829 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccnn1C ZINC001592970237 1016828085 /nfs/dbraw/zinc/82/80/85/1016828085.db2.gz DJPPVDFHKDBQOW-YMTOWFKASA-N -1 0 308.338 -0.080 20 0 DBADRM O=C(N[C@H]1CCCCNC1=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001592977548 1016828099 /nfs/dbraw/zinc/82/80/99/1016828099.db2.gz PQLUMNCEOJIXDC-JTQLQIEISA-N -1 0 316.321 -0.029 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001417103447 1003818717 /nfs/dbraw/zinc/81/87/17/1003818717.db2.gz SQAGOMGZUOHNRR-RNFRBKRXSA-N -1 0 307.310 -0.683 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001417103446 1003819315 /nfs/dbraw/zinc/81/93/15/1003819315.db2.gz SQAGOMGZUOHNRR-NKWVEPMBSA-N -1 0 307.310 -0.683 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)[C@H]1CCCOC1 ZINC001592977850 1016828198 /nfs/dbraw/zinc/82/81/98/1016828198.db2.gz GLBZDKFXQSCJSF-IUCAKERBSA-N -1 0 324.337 -0.012 20 0 DBADRM C[C@H](CNC(=O)[C@H](C)C1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001428564721 1003861365 /nfs/dbraw/zinc/86/13/65/1003861365.db2.gz RVVIYGFSAXSWDJ-RKDXNWHRSA-N -1 0 322.365 -0.234 20 0 DBADRM C[C@@H](CNC(=O)C1=CCCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001428578674 1003863261 /nfs/dbraw/zinc/86/32/61/1003863261.db2.gz IMTDNESWIKBSPJ-QMMMGPOBSA-N -1 0 309.326 -0.580 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2cnnn2C)c1[O-] ZINC001428580346 1003863584 /nfs/dbraw/zinc/86/35/84/1003863584.db2.gz OUPFNLIUFNTTDA-LURJTMIESA-N -1 0 307.314 -0.899 20 0 DBADRM CCn1nncc1C(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001428606849 1003872419 /nfs/dbraw/zinc/87/24/19/1003872419.db2.gz WYMNNPJSXUOVPR-ZETCQYMHSA-N -1 0 321.341 -0.417 20 0 DBADRM C[C@]1(CNC(=O)C2CC2)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001417380838 1003872931 /nfs/dbraw/zinc/87/29/31/1003872931.db2.gz IZDPHEYLUIPFTI-CQSZACIVSA-N -1 0 321.337 -0.339 20 0 DBADRM C[C@H](NC(=O)[C@@H]1OCCN(C)C1=O)c1ncc(C(=O)[O-])s1 ZINC001593008831 1016831105 /nfs/dbraw/zinc/83/11/05/1016831105.db2.gz JNCPVFTXIIPDBN-XPUUQOCRSA-N -1 0 313.335 -0.124 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001417604151 1003896316 /nfs/dbraw/zinc/89/63/16/1003896316.db2.gz DBQFAXFLAQDBOZ-UHFFFAOYSA-N -1 0 309.355 -0.201 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001417605606 1003896358 /nfs/dbraw/zinc/89/63/58/1003896358.db2.gz CZNBQHYHUJAFEP-QMMMGPOBSA-N -1 0 319.321 -0.479 20 0 DBADRM CCN(C(=O)c1c[n-]n2c1nccc2=O)[C@@H]1CCS(=O)(=O)C1 ZINC001417606068 1003896740 /nfs/dbraw/zinc/89/67/40/1003896740.db2.gz XBWPQWXVWZNEFW-SECBINFHSA-N -1 0 324.362 -0.328 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCc1nnc2n1CCCC2 ZINC001417613183 1003899424 /nfs/dbraw/zinc/89/94/24/1003899424.db2.gz WBKWWUAPBLOZOR-UHFFFAOYSA-N -1 0 321.341 -0.286 20 0 DBADRM CCOC(=O)CCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001417620764 1003900563 /nfs/dbraw/zinc/90/05/63/1003900563.db2.gz GSJQAWBJLLEPBO-UHFFFAOYSA-N -1 0 320.305 -0.051 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]1CNC(=O)c1ccoc1 ZINC001417625562 1003908877 /nfs/dbraw/zinc/90/88/77/1003908877.db2.gz JUOZZDLEISCWFG-VIFPVBQESA-N -1 0 321.293 -0.687 20 0 DBADRM NC(=O)c1cccc(CCNC(=O)CCCc2nnn[n-]2)c1 ZINC001417629791 1003921378 /nfs/dbraw/zinc/92/13/78/1003921378.db2.gz VPWUGSBERQVFFC-UHFFFAOYSA-N -1 0 302.338 -0.020 20 0 DBADRM COCCN(Cc1cccnc1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001417632223 1003922087 /nfs/dbraw/zinc/92/20/87/1003922087.db2.gz MGHKQZFOTAMICR-UHFFFAOYSA-N -1 0 305.294 -0.033 20 0 DBADRM C[C@]1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001417636043 1003929843 /nfs/dbraw/zinc/92/98/43/1003929843.db2.gz QDGAXENDQALWRK-LDYMZIIASA-N -1 0 315.355 -0.933 20 0 DBADRM CN1C[C@H](NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1=O ZINC001417637603 1003932214 /nfs/dbraw/zinc/93/22/14/1003932214.db2.gz CHWFEAOUURTBGY-SECBINFHSA-N -1 0 317.305 -0.773 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCCS(=O)(=O)CC1 ZINC001417639206 1003934002 /nfs/dbraw/zinc/93/40/02/1003934002.db2.gz WXFWWQCGGRENDP-UHFFFAOYSA-N -1 0 310.335 -0.717 20 0 DBADRM C[C@@H](N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1)C(F)(F)F ZINC001417655288 1003945790 /nfs/dbraw/zinc/94/57/90/1003945790.db2.gz PRJCITRBXICVJO-SSDOTTSWSA-N -1 0 323.275 -0.216 20 0 DBADRM CCC[C@H](NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1)c1nnn[n-]1 ZINC001417662830 1003947625 /nfs/dbraw/zinc/94/76/25/1003947625.db2.gz ORAIVXCABOWGJE-FXBDTBDDSA-N -1 0 306.330 -0.242 20 0 DBADRM CSC[C@@H](CCO)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001417675329 1003961010 /nfs/dbraw/zinc/96/10/10/1003961010.db2.gz COLPARQJBIRCCF-MRVPVSSYSA-N -1 0 304.372 -0.300 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1ccc(NC(C)=O)cc1 ZINC001439418255 1003980751 /nfs/dbraw/zinc/98/07/51/1003980751.db2.gz YTUVWRZPTDTVNQ-UHFFFAOYSA-N -1 0 304.310 -0.048 20 0 DBADRM O=C(NCCCNc1ccnc(-c2nnn[n-]2)n1)[C@H]1CC12CC2 ZINC001593076503 1016838697 /nfs/dbraw/zinc/83/86/97/1016838697.db2.gz SKTIPUSFWLMGPD-SECBINFHSA-N -1 0 314.353 -0.203 20 0 DBADRM C[C@H](CN(C)C(=O)c1cn(CC2(C)COC2)nn1)c1nnn[n-]1 ZINC001417705410 1003986886 /nfs/dbraw/zinc/98/68/86/1003986886.db2.gz WKYJMPKNQQGUSD-SECBINFHSA-N -1 0 320.357 -0.297 20 0 DBADRM Cn1nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1C(F)F ZINC001417712280 1003995196 /nfs/dbraw/zinc/99/51/96/1003995196.db2.gz CCPZENODCZUKKI-UHFFFAOYSA-N -1 0 324.309 -0.447 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnc2c[nH]nc2c1 ZINC001417712626 1003995852 /nfs/dbraw/zinc/99/58/52/1003995852.db2.gz GZGMQBFKQFQYSW-UHFFFAOYSA-N -1 0 311.323 -0.846 20 0 DBADRM CC1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCC(=O)CC1 ZINC001417712365 1003996411 /nfs/dbraw/zinc/99/64/11/1003996411.db2.gz CZTXZWNVOPOIOG-UHFFFAOYSA-N -1 0 304.368 -0.282 20 0 DBADRM CN(CC1(O)CCOCC1)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001417715283 1003999133 /nfs/dbraw/zinc/99/91/33/1003999133.db2.gz ZVFCKGQVOIXLGJ-UHFFFAOYSA-N -1 0 314.342 -0.531 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001417719473 1004002055 /nfs/dbraw/zinc/00/20/55/1004002055.db2.gz IGCAMQWLRRSNIN-JGVFFNPUSA-N -1 0 319.412 -0.503 20 0 DBADRM C[C@H](NC(=O)NCCC(=O)NCCC(=O)[O-])[C@@H]1CCOC1 ZINC001593088853 1016840818 /nfs/dbraw/zinc/84/08/18/1016840818.db2.gz NBJVNYCWZUEJSQ-VHSXEESVSA-N -1 0 301.343 -0.308 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCOC[C@@]12CCOC2 ZINC001417726141 1004007007 /nfs/dbraw/zinc/00/70/07/1004007007.db2.gz WDLCVYBUZVHTHI-ZDUSSCGKSA-N -1 0 312.326 -0.513 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CNCc2ncnn2C)C2CC2)c1[O-] ZINC001439464004 1004007131 /nfs/dbraw/zinc/00/71/31/1004007131.db2.gz UALFGGYSRYVADU-JTQLQIEISA-N -1 0 319.369 -0.150 20 0 DBADRM O=C([C@H]1C[C@H]2CC(=O)[C@@H]1C2)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001417725723 1004007434 /nfs/dbraw/zinc/00/74/34/1004007434.db2.gz GXRJKGVXOCTGFA-AEJSXWLSSA-N -1 0 305.338 -0.375 20 0 DBADRM C[C@H](NC(=O)NCCC(=O)NCCC(=O)[O-])c1ncnn1C ZINC001593088848 1016841119 /nfs/dbraw/zinc/84/11/19/1016841119.db2.gz MUTJMQADXORNFT-QMMMGPOBSA-N -1 0 312.330 -0.844 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001417729868 1004010092 /nfs/dbraw/zinc/01/00/92/1004010092.db2.gz KCFPDJADVGASNN-UFBFGSQYSA-N -1 0 300.315 -0.874 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001417729866 1004010111 /nfs/dbraw/zinc/01/01/11/1004010111.db2.gz KCFPDJADVGASNN-QPUJVOFHSA-N -1 0 300.315 -0.874 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001417732929 1004012109 /nfs/dbraw/zinc/01/21/09/1004012109.db2.gz NZQUQKUHNPXAPC-AWEZNQCLSA-N -1 0 301.306 -0.625 20 0 DBADRM C[C@@H](NC(=O)Nc1nn(C)cc1C(=O)[O-])C(=O)NCCF ZINC001593124174 1016844774 /nfs/dbraw/zinc/84/47/74/1016844774.db2.gz GINHPFKVGUPCAS-ZCFIWIBFSA-N -1 0 301.278 -0.286 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccc2nccn2c1 ZINC001593113257 1016844856 /nfs/dbraw/zinc/84/48/56/1016844856.db2.gz ZNVJCDPAOSQWQX-UHFFFAOYSA-N -1 0 324.308 -0.464 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)Cc1cncn1C ZINC001417749076 1004021112 /nfs/dbraw/zinc/02/11/12/1004021112.db2.gz SHVHOCCDYBCENB-JTQLQIEISA-N -1 0 319.369 -0.481 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1OC2CCC1CC2 ZINC001593111066 1016844948 /nfs/dbraw/zinc/84/49/48/1016844948.db2.gz IJYXZBFZDJOXCM-UHFFFAOYSA-N -1 0 319.329 -0.274 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NCc1ccccn1 ZINC001593110517 1016845296 /nfs/dbraw/zinc/84/52/96/1016845296.db2.gz BIECFFGQUMGZPT-UHFFFAOYSA-N -1 0 314.313 -0.647 20 0 DBADRM C[C@H](NC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)C(N)=O ZINC001593110748 1016845685 /nfs/dbraw/zinc/84/56/85/1016845685.db2.gz AKUPSUAHRPITNQ-QMMMGPOBSA-N -1 0 322.321 -0.114 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001439556828 1004044648 /nfs/dbraw/zinc/04/46/48/1004044648.db2.gz LRPYTKIGXDAMFS-VHSXEESVSA-N -1 0 310.358 -0.885 20 0 DBADRM C[C@H](NC(=O)N[C@@H]1COC[C@H]1O)c1ncc(C(=O)[O-])s1 ZINC001593108103 1016842433 /nfs/dbraw/zinc/84/24/33/1016842433.db2.gz DOMQATXHWZLCEZ-RRKCRQDMSA-N -1 0 301.324 -0.039 20 0 DBADRM O=C(NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)[C@H]1CC12CC2 ZINC001593107250 1016842755 /nfs/dbraw/zinc/84/27/55/1016842755.db2.gz YMEHHJIDNIASHH-MRVPVSSYSA-N -1 0 317.309 -0.955 20 0 DBADRM O=C(NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C1CC=CC1 ZINC001593107139 1016842950 /nfs/dbraw/zinc/84/29/50/1016842950.db2.gz QUKCNRASJTXDFJ-UHFFFAOYSA-N -1 0 317.309 -0.789 20 0 DBADRM C[C@@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)c1ncnn1C ZINC001593099589 1016843381 /nfs/dbraw/zinc/84/33/81/1016843381.db2.gz VLZVFTALGZSUKF-SSDOTTSWSA-N -1 0 308.302 -0.835 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCSC1 ZINC001593110060 1016843721 /nfs/dbraw/zinc/84/37/21/1016843721.db2.gz RVERIIFAJOGUBZ-MRVPVSSYSA-N -1 0 308.371 -0.282 20 0 DBADRM C[C@@H](C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001439646286 1004082382 /nfs/dbraw/zinc/08/23/82/1004082382.db2.gz HLEHUQMPEOWFSO-BDAKNGLRSA-N -1 0 322.369 -0.837 20 0 DBADRM C[C@@H](NC(=O)c1cnnn1C)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593185118 1016851877 /nfs/dbraw/zinc/85/18/77/1016851877.db2.gz QQTQFHSUCHZILX-JGVFFNPUSA-N -1 0 319.325 -0.656 20 0 DBADRM O=C(CCNC(=O)c1ccc(F)cc1)Nn1c(=O)[n-][nH]c1=O ZINC001417884508 1004087566 /nfs/dbraw/zinc/08/75/66/1004087566.db2.gz XJKSGVDXQUXIPQ-UHFFFAOYSA-N -1 0 309.257 -0.281 20 0 DBADRM O=C(NCc1ccc(-c2nn[nH]n2)s1)c1n[nH]c(=O)[n-]c1=O ZINC001593136668 1016848547 /nfs/dbraw/zinc/84/85/47/1016848547.db2.gz DUMIAAYQYCJKCB-UHFFFAOYSA-N -1 0 320.294 -0.546 20 0 DBADRM C[C@@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)C(N)=O ZINC001593138939 1016848898 /nfs/dbraw/zinc/84/88/98/1016848898.db2.gz OYGWGMOAVZASGC-RQJHMYQMSA-N -1 0 303.315 -0.656 20 0 DBADRM CNC(=O)CCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001417932949 1004117646 /nfs/dbraw/zinc/11/76/46/1004117646.db2.gz HDWUJCYOPFYSPU-SECBINFHSA-N -1 0 310.358 -0.883 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC001439795738 1004120138 /nfs/dbraw/zinc/12/01/38/1004120138.db2.gz CVLAFJVKGWPLHO-UHFFFAOYSA-N -1 0 320.305 -0.714 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001593181083 1016849651 /nfs/dbraw/zinc/84/96/51/1016849651.db2.gz DVODDVPQFULTQB-LSJOCFKGSA-N -1 0 310.306 -0.308 20 0 DBADRM O=C([N-]S(=O)(=O)CC1CC1)c1ccnc(-c2nn[nH]n2)c1 ZINC001593173685 1016849876 /nfs/dbraw/zinc/84/98/76/1016849876.db2.gz YTWURXKICCZUNY-UHFFFAOYSA-N -1 0 308.323 -0.269 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2cc(F)cc(F)c2[O-])CC1=O ZINC001417950288 1004136874 /nfs/dbraw/zinc/13/68/74/1004136874.db2.gz ZOJAILSQYSZSSK-UHFFFAOYSA-N -1 0 313.260 -0.560 20 0 DBADRM C[C@H]1CN(CCO)CCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001417978455 1004147004 /nfs/dbraw/zinc/14/70/04/1004147004.db2.gz OKQCCGDGBWMGCX-QMMMGPOBSA-N -1 0 301.372 -0.873 20 0 DBADRM CC[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H](O)C(C)C ZINC001418038097 1004170883 /nfs/dbraw/zinc/17/08/83/1004170883.db2.gz RQZUKQYMTYCYSC-ZYHUDNBSSA-N -1 0 307.354 -0.017 20 0 DBADRM C[C@](NS(=O)(=O)CCN1CCOC1=O)(C(=O)[O-])C1CC1 ZINC001593318496 1016858971 /nfs/dbraw/zinc/85/89/71/1016858971.db2.gz ARIZPGLFZYHDRT-LLVKDONJSA-N -1 0 306.340 -0.389 20 0 DBADRM C[C@](NC(=O)c1nc2ncc(CCO)cn2n1)(C(=O)[O-])C1CC1 ZINC001593188435 1016853759 /nfs/dbraw/zinc/85/37/59/1016853759.db2.gz CAEHRFOZBLQCNL-CQSZACIVSA-N -1 0 319.321 -0.358 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H](C)NC(=O)c1cnn(C)c1 ZINC001593185534 1016853773 /nfs/dbraw/zinc/85/37/73/1016853773.db2.gz ZQDNHTKHICYQCU-BDAKNGLRSA-N -1 0 318.337 -0.051 20 0 DBADRM C[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)[C@@H](C)CN1CCO ZINC001418074607 1004193970 /nfs/dbraw/zinc/19/39/70/1004193970.db2.gz ZGUUNYTUQBOSLJ-BDAKNGLRSA-N -1 0 315.399 -0.484 20 0 DBADRM O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001593315607 1016859105 /nfs/dbraw/zinc/85/91/05/1016859105.db2.gz VKSNWEDEVTWKKS-ZCFIWIBFSA-N -1 0 300.286 -0.662 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)c1cccs1 ZINC001440034039 1004209315 /nfs/dbraw/zinc/20/93/15/1004209315.db2.gz IPXSYDOEMOHTAE-UHFFFAOYSA-N -1 0 309.351 -0.452 20 0 DBADRM O=C([O-])CN(C1CC1)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC001593278499 1016855611 /nfs/dbraw/zinc/85/56/11/1016855611.db2.gz ITTOGNBYEISTKX-UHFFFAOYSA-N -1 0 324.322 -0.501 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nc3ccccn3c2-c2nn[nH]n2)CCO1 ZINC001593276708 1016855852 /nfs/dbraw/zinc/85/58/52/1016855852.db2.gz OHIDWHMHFZZIMS-QMMMGPOBSA-N -1 0 315.293 -0.196 20 0 DBADRM CC(C)N1CC(O)(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001440053918 1004226536 /nfs/dbraw/zinc/22/65/36/1004226536.db2.gz HGWXDVYNQKBQPL-UHFFFAOYSA-N -1 0 313.358 -0.959 20 0 DBADRM C[C@H](NS(=O)(=O)CCCC(=O)[O-])[C@@H]1CN(C)CCN1C ZINC001593318624 1016859845 /nfs/dbraw/zinc/85/98/45/1016859845.db2.gz DMMQNTHWUIMUES-QWRGUYRKSA-N -1 0 307.416 -0.595 20 0 DBADRM O=C(N[C@H]1CCOC1=O)c1nc[n-]c(=O)c1Br ZINC001418161597 1004238190 /nfs/dbraw/zinc/23/81/90/1004238190.db2.gz AHNBTSYLOIZZSI-BYPYZUCNSA-N -1 0 302.084 -0.010 20 0 DBADRM O=C(Cn1cncn1)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001418159978 1004238619 /nfs/dbraw/zinc/23/86/19/1004238619.db2.gz SOBWBLBBBUWVPH-JTQLQIEISA-N -1 0 320.357 -0.727 20 0 DBADRM CC(C)(C)[C@H](NC(=O)C1=CCS(=O)(=O)C1)c1nc(=O)o[n-]1 ZINC001418165112 1004241667 /nfs/dbraw/zinc/24/16/67/1004241667.db2.gz SXRSHWYWUKEGHD-MRVPVSSYSA-N -1 0 315.351 -0.079 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001440085694 1004248841 /nfs/dbraw/zinc/24/88/41/1004248841.db2.gz PFGAMQJAJUZXAV-VHSXEESVSA-N -1 0 307.354 -0.781 20 0 DBADRM COCCN1CC(O)(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001440088365 1004250785 /nfs/dbraw/zinc/25/07/85/1004250785.db2.gz JDPNMKTVWOMKNO-UHFFFAOYSA-N -1 0 322.321 -0.649 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)COc1ccc(C(N)=O)cc1 ZINC001418187385 1004251593 /nfs/dbraw/zinc/25/15/93/1004251593.db2.gz BABHNZGJAPFCJO-UHFFFAOYSA-N -1 0 306.278 -0.501 20 0 DBADRM C[C@H]([C@H](C)NS(=O)(=O)CC1(C(=O)[O-])CC1)N1CCOCC1 ZINC001593320662 1016861808 /nfs/dbraw/zinc/86/18/08/1016861808.db2.gz YZWOJQAHIJWNDB-WDEREUQCSA-N -1 0 320.411 -0.120 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H](F)C(=O)[O-] ZINC001593344648 1016863777 /nfs/dbraw/zinc/86/37/77/1016863777.db2.gz DBWAKUFTBNQRHI-RQJHMYQMSA-N -1 0 324.355 -0.046 20 0 DBADRM C[C@H](Nc1ccnc(C(=O)[O-])n1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001593366960 1016865027 /nfs/dbraw/zinc/86/50/27/1016865027.db2.gz JGTZXEAMWSQPPX-DTWKUNHWSA-N -1 0 321.337 -0.879 20 0 DBADRM O=C(c1ccsc1-c1nn[nH]n1)N1C[C@H](CO)[C@H](CO)C1 ZINC001593362571 1016865085 /nfs/dbraw/zinc/86/50/85/1016865085.db2.gz UVLLSTMFWFSLKS-OCAPTIKFSA-N -1 0 309.351 -0.399 20 0 DBADRM O=C(c1coc(-c2nn[nH]n2)c1)N1CC(CN2CCOCC2)C1 ZINC001593368020 1016865230 /nfs/dbraw/zinc/86/52/30/1016865230.db2.gz QPUCCZZKPKIPSP-UHFFFAOYSA-N -1 0 318.337 -0.136 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1C[C@H](CO)[C@H](CCO)C1 ZINC001593348444 1016865850 /nfs/dbraw/zinc/86/58/50/1016865850.db2.gz YNCMLHHBEJIOKB-NXEZZACHSA-N -1 0 318.337 -0.675 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)C1CCN(C(=O)C(N)=O)CC1 ZINC001593367991 1016866118 /nfs/dbraw/zinc/86/61/18/1016866118.db2.gz SXAKCPKJAQAWKQ-MRVPVSSYSA-N -1 0 321.337 -0.879 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC001593352727 1016866122 /nfs/dbraw/zinc/86/61/22/1016866122.db2.gz GYHXXIIBLFBTES-XVKPBYJWSA-N -1 0 316.335 -0.428 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CCN2C(=O)CC[C@@H]2C1 ZINC001593348981 1016866361 /nfs/dbraw/zinc/86/63/61/1016866361.db2.gz UDODAGGKIFDIIT-SECBINFHSA-N -1 0 313.321 -0.292 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001593348551 1016866509 /nfs/dbraw/zinc/86/65/09/1016866509.db2.gz DXGARBQQXQOUOO-IQFKYQIUSA-N -1 0 304.335 -0.393 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1nccs1 ZINC001418302040 1004324541 /nfs/dbraw/zinc/32/45/41/1004324541.db2.gz JBUYBZGUUQKSRL-SSDOTTSWSA-N -1 0 312.355 -0.560 20 0 DBADRM C[C@@](O)(CC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1CC1 ZINC001593382360 1016868615 /nfs/dbraw/zinc/86/86/15/1016868615.db2.gz XZVWFXOKZDBHLU-GFCCVEGCSA-N -1 0 319.379 -0.314 20 0 DBADRM CC(=O)N(C)CC(=O)N1CCC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001418357559 1004359015 /nfs/dbraw/zinc/35/90/15/1004359015.db2.gz MZYPLCABPPETGX-LLVKDONJSA-N -1 0 324.385 -0.589 20 0 DBADRM C[C@@](O)(CN1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC001593396723 1016873384 /nfs/dbraw/zinc/87/33/84/1016873384.db2.gz VNZFQXRKIGRTCI-ACLDMZEESA-N -1 0 319.301 -0.271 20 0 DBADRM O=C(CCc1nnn[n-]1)NCCS(=O)(=O)C(F)(F)F ZINC001418427991 1004385670 /nfs/dbraw/zinc/38/56/70/1004385670.db2.gz YTZFCUDHJANWOO-UHFFFAOYSA-N -1 0 301.250 -0.817 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)[N-]N2CCOC2=O)c(F)c1 ZINC001418462499 1004408196 /nfs/dbraw/zinc/40/81/96/1004408196.db2.gz ZXEXSOPGTLUBNY-UHFFFAOYSA-N -1 0 303.271 -0.430 20 0 DBADRM C[C@](O)(CNC(=O)/C=C\c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC001593399619 1016875586 /nfs/dbraw/zinc/87/55/86/1016875586.db2.gz XWPHYBRXZIZQCD-FHMRSRPSSA-N -1 0 317.319 -0.352 20 0 DBADRM C[C@@](O)(CNC(=O)Cc1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC001593400684 1016875686 /nfs/dbraw/zinc/87/56/86/1016875686.db2.gz PWSVNZXMAMFMHB-CYBMUJFWSA-N -1 0 315.347 -0.416 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1cscn1 ZINC001418476683 1004422370 /nfs/dbraw/zinc/42/23/70/1004422370.db2.gz GMZNZXIGNFHCHJ-UHFFFAOYSA-N -1 0 310.339 -0.399 20 0 DBADRM O=C1NC[C@@H](Cn2cc3c(c(-c4nnn[n-]4)c2=O)CCC3)O1 ZINC001593405040 1016876926 /nfs/dbraw/zinc/87/69/26/1016876926.db2.gz FYULNQBOYDQZDW-QMMMGPOBSA-N -1 0 302.294 -0.375 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001418487859 1004431765 /nfs/dbraw/zinc/43/17/65/1004431765.db2.gz KQBRSEUDKBKUMD-JTQLQIEISA-N -1 0 324.385 -0.542 20 0 DBADRM C[C@@](O)(CNC(=O)c1ncccc1S(C)(=O)=O)C(=O)[O-] ZINC001593412092 1016877613 /nfs/dbraw/zinc/87/76/13/1016877613.db2.gz URVHVZYKIYHXEC-LLVKDONJSA-N -1 0 302.308 -0.950 20 0 DBADRM O=C1O[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)CN1C1CC1 ZINC001593410724 1016877784 /nfs/dbraw/zinc/87/77/84/1016877784.db2.gz DVEIELSTVORKPW-QMMMGPOBSA-N -1 0 302.298 -0.526 20 0 DBADRM C[C@@H](C(N)=O)N(C)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001418512216 1004442876 /nfs/dbraw/zinc/44/28/76/1004442876.db2.gz ZXMIIFCPAXQTQE-ZETCQYMHSA-N -1 0 307.310 -0.536 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001593420843 1016879130 /nfs/dbraw/zinc/87/91/30/1016879130.db2.gz XGFDDRPOIBROPL-SDBXPKJASA-N -1 0 318.276 -0.176 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001593420838 1016880068 /nfs/dbraw/zinc/88/00/68/1016880068.db2.gz XGFDDRPOIBROPL-AMIZOPFISA-N -1 0 318.276 -0.176 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001593419485 1016880485 /nfs/dbraw/zinc/88/04/85/1016880485.db2.gz LLMCLBJDQXWYOR-IXPVHAAZSA-N -1 0 324.333 -0.795 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001593425188 1016881164 /nfs/dbraw/zinc/88/11/64/1016881164.db2.gz FOFGEQYGRCURQE-KNDHEWATSA-N -1 0 324.377 -0.169 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1conc1C ZINC001418578561 1004483106 /nfs/dbraw/zinc/48/31/06/1004483106.db2.gz HSOGBXCDSPKOBZ-UHFFFAOYSA-N -1 0 324.341 -0.376 20 0 DBADRM C[C@H](O)C(C)(C)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001593426352 1016882296 /nfs/dbraw/zinc/88/22/96/1016882296.db2.gz SBOUHVBOYADWCI-QMMMGPOBSA-N -1 0 305.356 -0.347 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N(C)c1nnn[n-]1 ZINC001418624103 1004505926 /nfs/dbraw/zinc/50/59/26/1004505926.db2.gz UCGOXGWXOWMZKH-MRVPVSSYSA-N -1 0 302.360 -0.731 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001593436436 1016885031 /nfs/dbraw/zinc/88/50/31/1016885031.db2.gz LQLANMPDMQBAKX-XWLWVQCSSA-N -1 0 315.370 -0.233 20 0 DBADRM O=S(=O)(NC[C@@H]1CC[C@H](O)C1)c1cccnc1-c1nnn[n-]1 ZINC001593439527 1016885740 /nfs/dbraw/zinc/88/57/40/1016885740.db2.gz UPDIFRUJGFRIPC-BDAKNGLRSA-N -1 0 324.366 -0.299 20 0 DBADRM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)C1 ZINC001593436424 1016886228 /nfs/dbraw/zinc/88/62/28/1016886228.db2.gz LPNULRLCJOLZLN-WISYIIOYSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H](O)[C@H]1CCCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001593438563 1016886431 /nfs/dbraw/zinc/88/64/31/1016886431.db2.gz WJIGLJKCEKOBLJ-UWVGGRQHSA-N -1 0 311.342 -0.221 20 0 DBADRM C[C@@H](O)[C@H]1CCCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001593437740 1016886622 /nfs/dbraw/zinc/88/66/22/1016886622.db2.gz TYTUHOKWNNNJGE-MNOVXSKESA-N -1 0 315.370 -0.230 20 0 DBADRM C[C@@H](O)[C@@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])n2)CCO1 ZINC001593441880 1016887295 /nfs/dbraw/zinc/88/72/95/1016887295.db2.gz JDCQOWQJPQPSGI-KOLCDFICSA-N -1 0 309.322 -0.200 20 0 DBADRM C[C@H](O)C[C@H](C)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001593441512 1016887460 /nfs/dbraw/zinc/88/74/60/1016887460.db2.gz QAWBYRGKJZODAW-XKNYDFJKSA-N -1 0 303.359 -0.330 20 0 DBADRM C[C@@H](O)[C@@H]1CN(S(=O)(=O)c2occc2C(=O)[O-])CCO1 ZINC001593442379 1016887540 /nfs/dbraw/zinc/88/75/40/1016887540.db2.gz ONKMXZUDUBTDER-APPZFPTMSA-N -1 0 305.308 -0.252 20 0 DBADRM C[C@@H](O)C[C@H]1COCCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001593447440 1016889841 /nfs/dbraw/zinc/88/98/41/1016889841.db2.gz IQIDEZYLJFMSOZ-YPMHNXCESA-N -1 0 314.382 -0.219 20 0 DBADRM C[C@H](O)[C@@H]1CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CCO1 ZINC001593441101 1016888384 /nfs/dbraw/zinc/88/83/84/1016888384.db2.gz DKDNVRKXZNHAMD-KWQFWETISA-N -1 0 316.335 -0.450 20 0 DBADRM C[C@@H](O)[C@H]1CN(S(=O)(=O)c2occc2C(=O)[O-])CCO1 ZINC001593442382 1016888407 /nfs/dbraw/zinc/88/84/07/1016888407.db2.gz ONKMXZUDUBTDER-VXNVDRBHSA-N -1 0 305.308 -0.252 20 0 DBADRM C[C@@H](O)C[C@@H]1COCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC001593448758 1016889380 /nfs/dbraw/zinc/88/93/80/1016889380.db2.gz UJIIPERMUPDNGY-NXEZZACHSA-N -1 0 310.372 -0.891 20 0 DBADRM C[C@@H](O)C[C@@H]1COCCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001593448363 1016890007 /nfs/dbraw/zinc/89/00/07/1016890007.db2.gz RLZQHKXWSQNHKY-NXEZZACHSA-N -1 0 307.368 -0.347 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1CCC[C@@H](O)C1 ZINC001593457303 1016890993 /nfs/dbraw/zinc/89/09/93/1016890993.db2.gz KVBNUNYVBDHHRE-MRVPVSSYSA-N -1 0 310.339 -0.593 20 0 DBADRM CCCN(CCNC(=O)[C@]1(C)CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001418723769 1004599110 /nfs/dbraw/zinc/59/91/10/1004599110.db2.gz ODJCDDMPRZHIIX-AWEZNQCLSA-N -1 0 324.385 -0.493 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001593458815 1016891364 /nfs/dbraw/zinc/89/13/64/1016891364.db2.gz INNDZEBCPBMXPK-JTQLQIEISA-N -1 0 317.363 -0.323 20 0 DBADRM C[C@H](O)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001593462257 1016892698 /nfs/dbraw/zinc/89/26/98/1016892698.db2.gz FZZKKTIIAQWQAN-KWQFWETISA-N -1 0 308.290 -0.638 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)c2cnc(C(=O)[O-])cn2)[C@H](C)C1 ZINC001593462717 1016892753 /nfs/dbraw/zinc/89/27/53/1016892753.db2.gz NVAYLMIWFSADAT-ZJUUUORDSA-N -1 0 308.338 -0.298 20 0 DBADRM C[C@H](O)CN1CCN([C@H]2CCCN(CCC(=O)[O-])C2=O)CC1 ZINC001593461810 1016894357 /nfs/dbraw/zinc/89/43/57/1016894357.db2.gz BUVBQIIEVQYAKJ-STQMWFEESA-N -1 0 313.398 -0.550 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N(CC(=O)[O-])C2CCOCC2)nn1 ZINC001593477135 1016896229 /nfs/dbraw/zinc/89/62/29/1016896229.db2.gz JTZBYCHKHBRITL-SECBINFHSA-N -1 0 312.326 -0.576 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N[C@H](C(=O)[O-])c2cccnc2)nn1 ZINC001593477189 1016896499 /nfs/dbraw/zinc/89/64/99/1016896499.db2.gz LAPVSAPLJHPPOU-PELKAZGASA-N -1 0 305.294 -0.332 20 0 DBADRM O=c1c(-c2nnn[n-]2)c2c(cn1CN1CCO[C@H]3C[C@H]31)CCC2 ZINC001593492674 1016897524 /nfs/dbraw/zinc/89/75/24/1016897524.db2.gz UYWIJJKBIOYMJP-NEPJUHHUSA-N -1 0 314.349 -0.052 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1CCOC[C@H]1c1nnn[n-]1)CC2 ZINC001418864390 1004691944 /nfs/dbraw/zinc/69/19/44/1004691944.db2.gz YORIHDKDRYCOEF-KWQFWETISA-N -1 0 318.341 -0.967 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N2CCOC[C@@H]2c2nnn[n-]2)C1 ZINC001418863707 1004692297 /nfs/dbraw/zinc/69/22/97/1004692297.db2.gz ODNBPGQCPOUBTO-WDEREUQCSA-N -1 0 308.342 -0.642 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N2CCOC[C@H]2c2nnn[n-]2)C1 ZINC001418863704 1004692795 /nfs/dbraw/zinc/69/27/95/1004692795.db2.gz ODNBPGQCPOUBTO-QWRGUYRKSA-N -1 0 308.342 -0.642 20 0 DBADRM O=c1nc(CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)[n-]o1 ZINC001593498050 1016901111 /nfs/dbraw/zinc/90/11/11/1016901111.db2.gz QAYYRBAZDIIRMH-UHFFFAOYSA-N -1 0 323.294 -0.979 20 0 DBADRM CN1Cc2ccccc2[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001418959568 1004733579 /nfs/dbraw/zinc/73/35/79/1004733579.db2.gz BEYBUFNCKOLIIH-LLVKDONJSA-N -1 0 303.322 -0.008 20 0 DBADRM O=C(CCn1cncn1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001418957354 1004734047 /nfs/dbraw/zinc/73/40/47/1004734047.db2.gz LPEYNUGYHGCBFQ-JTQLQIEISA-N -1 0 320.357 -0.727 20 0 DBADRM O=c1c(-c2nnn[n-]2)cncn1Cc1noc2c1COCC2 ZINC001593493786 1016901744 /nfs/dbraw/zinc/90/17/44/1016901744.db2.gz DOZUPQGQFCTDBX-UHFFFAOYSA-N -1 0 301.266 -0.468 20 0 DBADRM O=C(NCc1nc2c(c(=O)[nH]1)COCC2)c1c[n-]ncc1=O ZINC001419023737 1004769598 /nfs/dbraw/zinc/76/95/98/1004769598.db2.gz YHEOJVYUYPBNLA-UHFFFAOYSA-N -1 0 303.278 -0.320 20 0 DBADRM O=C(CCC1CC1)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001419136214 1004818293 /nfs/dbraw/zinc/81/82/93/1004818293.db2.gz VVCNQNKPMCEFDV-UHFFFAOYSA-N -1 0 322.413 -0.066 20 0 DBADRM C[C@@H](OC(=O)COc1ccc(C(N)=O)cc1)C(=O)NCC(=O)[O-] ZINC001593533939 1016911641 /nfs/dbraw/zinc/91/16/41/1016911641.db2.gz KOLZNRUEURQXDJ-MRVPVSSYSA-N -1 0 324.289 -0.703 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CCC(=O)O1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593548581 1016916556 /nfs/dbraw/zinc/91/65/56/1016916556.db2.gz YOISIUIYLCZOHI-PSASIEDQSA-N -1 0 313.306 -0.053 20 0 DBADRM C[C@H](OC(=O)Cc1[nH]nc2c1CCCC2)C(=O)NCC(=O)[O-] ZINC001593537532 1016916834 /nfs/dbraw/zinc/91/68/34/1016916834.db2.gz UTUXAUMUKVCBEU-QMMMGPOBSA-N -1 0 309.322 -0.037 20 0 DBADRM COC[C@H](NC(=O)c1c2c(nn1C)CCCC2)c1nnn[n-]1 ZINC001419552006 1004898512 /nfs/dbraw/zinc/89/85/12/1004898512.db2.gz JJKFGQVUXJPANM-JTQLQIEISA-N -1 0 305.342 -0.071 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12)c1nnn[n-]1 ZINC001419553947 1004898651 /nfs/dbraw/zinc/89/86/51/1004898651.db2.gz NOXWPEPVKZJHBO-VLEAKVRGSA-N -1 0 322.369 -0.302 20 0 DBADRM COC[C@H](NC(=O)c1cn2c(n1)C[C@H](OC)CC2)c1nnn[n-]1 ZINC001419556908 1004899354 /nfs/dbraw/zinc/89/93/54/1004899354.db2.gz RMZBBMKTLDDXHC-SCZZXKLOSA-N -1 0 321.341 -0.525 20 0 DBADRM O=c1cc(CN2CCCOCC2)nc2c(-c3nn[nH]n3)c[n-]n21 ZINC001593539009 1016917494 /nfs/dbraw/zinc/91/74/94/1016917494.db2.gz NONKKPWKLMRYKV-UHFFFAOYSA-N -1 0 316.325 -0.163 20 0 DBADRM O=C(CCC(F)F)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001419564338 1004901949 /nfs/dbraw/zinc/90/19/49/1004901949.db2.gz DZXIEIDRFSTASF-QMMMGPOBSA-N -1 0 319.312 -0.127 20 0 DBADRM C[C@@H](OC(=O)c1cccc(C(=O)[O-])n1)C(=O)N1CCNC1=O ZINC001593586438 1016926018 /nfs/dbraw/zinc/92/60/18/1016926018.db2.gz VVKBUGYSTIPLFN-SSDOTTSWSA-N -1 0 307.262 -0.123 20 0 DBADRM c1ccc(-n2nnnc2CNc2ccnc(-c3nnn[n-]3)n2)cc1 ZINC001593570113 1016921708 /nfs/dbraw/zinc/92/17/08/1016921708.db2.gz APRFDFUONARDAL-UHFFFAOYSA-N -1 0 321.308 -0.334 20 0 DBADRM C[C@H](OC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)C(=O)[O-] ZINC001593578435 1016921839 /nfs/dbraw/zinc/92/18/39/1016921839.db2.gz ARTVXAGHDVVLPE-LURJTMIESA-N -1 0 319.291 -0.472 20 0 DBADRM COc1ccc2c(n1)N(C)CCN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001419804768 1004985081 /nfs/dbraw/zinc/98/50/81/1004985081.db2.gz IQKSBMRPDHAHHX-UHFFFAOYSA-N -1 0 320.309 -0.424 20 0 DBADRM c1cc(NCc2ncc3c(n2)CCOC3)nc(-c2nnn[n-]2)n1 ZINC001593560809 1016923012 /nfs/dbraw/zinc/92/30/12/1016923012.db2.gz HQFDNUJNKAKMMM-UHFFFAOYSA-N -1 0 311.309 -0.447 20 0 DBADRM C[C@H](OC(=O)c1c[nH]cc(Cl)c1=O)C(=O)NCC(=O)[O-] ZINC001593596959 1016929816 /nfs/dbraw/zinc/92/98/16/1016929816.db2.gz OUFNIVIBQTZOFD-YFKPBYRVSA-N -1 0 302.670 -0.226 20 0 DBADRM Cc1nnc(CC(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)o1 ZINC001419961578 1005031777 /nfs/dbraw/zinc/03/17/77/1005031777.db2.gz UGWRPMYMWKQYGH-UHFFFAOYSA-N -1 0 309.330 -0.665 20 0 DBADRM C[C@@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ncon1 ZINC001420005921 1005049073 /nfs/dbraw/zinc/04/90/73/1005049073.db2.gz BMXAGJLZGXMJCM-ZETCQYMHSA-N -1 0 303.282 -0.626 20 0 DBADRM C[C@@H](Sc1nnc(N2CCOCC2)n1C)C(=O)C(=O)[O-] ZINC001593685026 1016932808 /nfs/dbraw/zinc/93/28/08/1016932808.db2.gz JAICLWACBUFTMQ-SSDOTTSWSA-N -1 0 300.340 -0.214 20 0 DBADRM CN(CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ncccn1 ZINC001420052776 1005062099 /nfs/dbraw/zinc/06/20/99/1005062099.db2.gz MXNWJVCCNQMCEW-UHFFFAOYSA-N -1 0 321.341 -0.930 20 0 DBADRM C[C@]1(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CCC(=O)NC1 ZINC001593748681 1016934751 /nfs/dbraw/zinc/93/47/51/1016934751.db2.gz BNGSFYYMXUQNMB-OTYXRUKQSA-N -1 0 314.338 -0.375 20 0 DBADRM CC1(C(=O)N2CC(CCO)(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001593745558 1016934772 /nfs/dbraw/zinc/93/47/72/1016934772.db2.gz SGVSUXVSYPQYAM-ZJUUUORDSA-N -1 0 310.350 -0.413 20 0 DBADRM CC1(C(=O)N2CC(CCO)(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001593745556 1016935168 /nfs/dbraw/zinc/93/51/68/1016935168.db2.gz SGVSUXVSYPQYAM-UWVGGRQHSA-N -1 0 310.350 -0.413 20 0 DBADRM CN(CCC(F)(F)F)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001593740347 1016935185 /nfs/dbraw/zinc/93/51/85/1016935185.db2.gz DJIGKNUBDHBREK-ZETCQYMHSA-N -1 0 312.244 -0.291 20 0 DBADRM C[C@]1(Br)C[C@@H]1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001593740866 1016935300 /nfs/dbraw/zinc/93/53/00/1016935300.db2.gz WNHOXJPRSRVHQK-AMXGMDGSSA-N -1 0 319.155 -0.038 20 0 DBADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001593730619 1016935483 /nfs/dbraw/zinc/93/54/83/1016935483.db2.gz QJAGFEAMSGDPHU-YUMQZZPRSA-N -1 0 316.339 -0.732 20 0 DBADRM CC1(C(=O)N(CCO)CCNc2ccnc(C(=O)[O-])n2)CC1 ZINC001593743540 1016936123 /nfs/dbraw/zinc/93/61/23/1016936123.db2.gz SLEVSNZBVISJSS-UHFFFAOYSA-N -1 0 308.338 -0.370 20 0 DBADRM C[C@H](c1nccc(N)n1)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001593738130 1016936236 /nfs/dbraw/zinc/93/62/36/1016936236.db2.gz XBUVZBZVKRGDCK-RKDXNWHRSA-N -1 0 314.367 -0.307 20 0 DBADRM C[C@@]1(C(=O)N2CCC(O)(C(=O)[O-])CC2)CCCS1(=O)=O ZINC001593745527 1016936270 /nfs/dbraw/zinc/93/62/70/1016936270.db2.gz QXYKXQOYHLIQGN-NSHDSACASA-N -1 0 305.352 -0.608 20 0 DBADRM C[C@@]1(C(=O)NC[C@@H](O)CNc2ncc(C(=O)[O-])cn2)CCOC1 ZINC001593749248 1016937528 /nfs/dbraw/zinc/93/75/28/1016937528.db2.gz KSTNMFPOWKTMGP-QMTHXVAHSA-N -1 0 324.337 -0.510 20 0 DBADRM C[C@]1(C(=O)NCCNc2ncc(C(=O)[O-])cn2)CCNC1=O ZINC001593753739 1016938376 /nfs/dbraw/zinc/93/83/76/1016938376.db2.gz HVHNWRGWCSKBNS-ZDUSSCGKSA-N -1 0 307.310 -0.771 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCc3c[nH]nc3C2)C1 ZINC001593783188 1016939035 /nfs/dbraw/zinc/93/90/35/1016939035.db2.gz DWPYXHWSEUQWBE-AWEZNQCLSA-N -1 0 306.322 -0.382 20 0 DBADRM COCCC(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001420172428 1005132019 /nfs/dbraw/zinc/13/20/19/1005132019.db2.gz RFIPNUBPKRZZDA-UHFFFAOYSA-N -1 0 307.354 -0.393 20 0 DBADRM C[C@]1(C(N)=O)CCN(C(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001593815684 1016940953 /nfs/dbraw/zinc/94/09/53/1016940953.db2.gz OOVGPZARKSJRIN-ZDUSSCGKSA-N -1 0 311.294 -0.387 20 0 DBADRM CC1(C)[C@H](CNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C1(F)F ZINC001593831132 1016941046 /nfs/dbraw/zinc/94/10/46/1016941046.db2.gz SPTUAHAPDGJFOZ-LURJTMIESA-N -1 0 306.265 -0.948 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)c2ccc(S(N)(=O)=O)s2)C1 ZINC001593805118 1016941091 /nfs/dbraw/zinc/94/10/91/1016941091.db2.gz XKJBVDVFWIJPNT-UHFFFAOYSA-N -1 0 304.349 -0.058 20 0 DBADRM C[C@@]1(CCCC(=O)N[C@@]2(C(=O)[O-])CCOC2)NC(=O)NC1=O ZINC001594002947 1016948724 /nfs/dbraw/zinc/94/87/24/1016948724.db2.gz YZRWZHJTQQQTNE-STQMWFEESA-N -1 0 313.310 -0.885 20 0 DBADRM CC1(C)CCC[C@H](CNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001593887085 1016943575 /nfs/dbraw/zinc/94/35/75/1016943575.db2.gz XZXNCBXFIBDFFP-JTQLQIEISA-N -1 0 312.366 -0.023 20 0 DBADRM CC1(C)CO[C@@H](CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC001593955293 1016944263 /nfs/dbraw/zinc/94/42/63/1016944263.db2.gz UULYLJNHIFOLPO-ZJUUUORDSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001593951294 1016944499 /nfs/dbraw/zinc/94/44/99/1016944499.db2.gz MXSQWEHWQNFUKN-NXEZZACHSA-N -1 0 319.379 -0.050 20 0 DBADRM CC1(C)CNC(=O)[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001593949559 1016945015 /nfs/dbraw/zinc/94/50/15/1016945015.db2.gz XDJPHFDDRXRZBL-SECBINFHSA-N -1 0 313.335 -0.417 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001593951295 1016945222 /nfs/dbraw/zinc/94/52/22/1016945222.db2.gz MXSQWEHWQNFUKN-UWVGGRQHSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@]1(C2CCN(c3cncc(C(=O)[O-])n3)CC2)NC(=O)NC1=O ZINC001593994084 1016945931 /nfs/dbraw/zinc/94/59/31/1016945931.db2.gz HKOBWGHIKJLTIK-AWEZNQCLSA-N -1 0 319.321 -0.011 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001593997848 1016946136 /nfs/dbraw/zinc/94/61/36/1016946136.db2.gz DPNQNCOJVSNAMV-RTCCRHLQSA-N -1 0 319.379 -0.098 20 0 DBADRM CC1(C)OCC(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CO1 ZINC001593975222 1016946783 /nfs/dbraw/zinc/94/67/83/1016946783.db2.gz ABXQJBAUGBHDNJ-UHFFFAOYSA-N -1 0 319.339 -0.603 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001593997898 1016947159 /nfs/dbraw/zinc/94/71/59/1016947159.db2.gz NABGHMKCQJRJTP-UHFFFAOYSA-N -1 0 311.338 -0.304 20 0 DBADRM CC1(C)[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)[C@@H]1O ZINC001593988307 1016947640 /nfs/dbraw/zinc/94/76/40/1016947640.db2.gz PALUGKJLKSNDRZ-YFKTTZPYSA-N -1 0 324.377 -0.073 20 0 DBADRM C[C@@]1(CCC(=O)NCCC(=O)NCCC(=O)[O-])CCC(=O)N1 ZINC001593999402 1016947789 /nfs/dbraw/zinc/94/77/89/1016947789.db2.gz LTEMJHREBAGOGY-CQSZACIVSA-N -1 0 313.354 -0.468 20 0 DBADRM C[C@@]1(C2CC2)CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CCO1 ZINC001593991570 1016947936 /nfs/dbraw/zinc/94/79/36/1016947936.db2.gz JWRZLVZFIBHKDG-BONVTDFDSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@]1(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)CCC(=O)N1 ZINC001594030462 1016948511 /nfs/dbraw/zinc/94/85/11/1016948511.db2.gz RVJBETXEUSDKAK-NSHDSACASA-N -1 0 302.308 -0.075 20 0 DBADRM C[C@@]1(CNC(=O)NCCC(=O)NCCC(=O)[O-])CCOC1 ZINC001594020886 1016950364 /nfs/dbraw/zinc/95/03/64/1016950364.db2.gz XRVPNKBXUJUIJI-ZDUSSCGKSA-N -1 0 301.343 -0.307 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(C)(CO)CC2)C1 ZINC001594030216 1016950421 /nfs/dbraw/zinc/95/04/21/1016950421.db2.gz DJKIQHURWZLSPM-OAHLLOKOSA-N -1 0 312.366 -0.069 20 0 DBADRM C[C@@]1(CO)C[C@H](O)CN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001594032296 1016950573 /nfs/dbraw/zinc/95/05/73/1016950573.db2.gz NWQDTDOCOWTNJX-WKEGUHRASA-N -1 0 322.364 -0.652 20 0 DBADRM CC1(CNC(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CCC1 ZINC001594012077 1016950731 /nfs/dbraw/zinc/95/07/31/1016950731.db2.gz CMQIFRQOLAYBPY-NSHDSACASA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1(F)F ZINC001594011952 1016950871 /nfs/dbraw/zinc/95/08/71/1016950871.db2.gz APNCKRAJEAQISI-QPUJVOFHSA-N -1 0 320.292 -0.150 20 0 DBADRM C[C@@]1(CO)C[C@H](O)CN1S(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001594032669 1016951988 /nfs/dbraw/zinc/95/19/88/1016951988.db2.gz RPUDUKJHZHJOII-JJGGINFWSA-N -1 0 321.395 -0.223 20 0 DBADRM C[C@@]1(CO)C[C@@H](O)CN1S(=O)(=O)CCCCCC(=O)[O-] ZINC001594033175 1016952605 /nfs/dbraw/zinc/95/26/05/1016952605.db2.gz VTTBAESTRBHIJC-PWSUYJOCSA-N -1 0 309.384 -0.221 20 0 DBADRM C[C@@]1(CO)C[C@@H](O)CN1C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001594033535 1016952661 /nfs/dbraw/zinc/95/26/61/1016952661.db2.gz YNEOVFBVCFBHAQ-DEKYYXRVSA-N -1 0 301.339 -0.257 20 0 DBADRM C[C@@]1(NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CCOC1=O ZINC001594051877 1016953290 /nfs/dbraw/zinc/95/32/90/1016953290.db2.gz DRSYEHVSDLCDAR-CHWSQXEVSA-N -1 0 311.294 -0.293 20 0 DBADRM C[C@]1(F)CNCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001594047132 1016953919 /nfs/dbraw/zinc/95/39/19/1016953919.db2.gz LNCKMFQQGIRLCV-LBPRGKRZSA-N -1 0 323.390 -0.339 20 0 DBADRM C[C@@H](NC(=O)[C@@](C)(O)Cn1ccccc1=O)c1nn(C)cc1[O-] ZINC001420438182 1005259834 /nfs/dbraw/zinc/25/98/34/1005259834.db2.gz JQRJAIFCHHHXIH-BMIGLBTASA-N -1 0 320.349 -0.084 20 0 DBADRM C[C@]1(CCC(=O)[O-])NC(=O)N(C[C@]2(O)CCCOC2)C1=O ZINC001594003320 1016949139 /nfs/dbraw/zinc/94/91/39/1016949139.db2.gz UCNNQUSEUZSDSS-CHWSQXEVSA-N -1 0 300.311 -0.297 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001420487085 1005276370 /nfs/dbraw/zinc/27/63/70/1005276370.db2.gz URMPKMMCIOCUEB-MNOVXSKESA-N -1 0 324.385 -0.494 20 0 DBADRM O=C(Cc1cnoc1)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001420487203 1005276829 /nfs/dbraw/zinc/27/68/29/1005276829.db2.gz QPTLBZNTDBRXIW-JTQLQIEISA-N -1 0 306.326 -0.178 20 0 DBADRM C[C@@H]1C(=O)CC[C@H]1CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594122773 1016959925 /nfs/dbraw/zinc/95/99/25/1016959925.db2.gz QSDLCNXXBPKFBU-GUBZILKMSA-N -1 0 317.363 -0.298 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594125774 1016960432 /nfs/dbraw/zinc/96/04/32/1016960432.db2.gz LXRZCKUDNJADAB-SECBINFHSA-N -1 0 306.322 -0.119 20 0 DBADRM COc1cccc(CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])n1 ZINC001594128131 1016960541 /nfs/dbraw/zinc/96/05/41/1016960541.db2.gz HGXHSHGPFVKJIB-VIFPVBQESA-N -1 0 309.322 -0.115 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001594130124 1016960776 /nfs/dbraw/zinc/96/07/76/1016960776.db2.gz YZXNDTILYVHFSJ-SSDOTTSWSA-N -1 0 312.351 -0.171 20 0 DBADRM C[C@@H]1C(=O)NCCN1S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001594130275 1016961086 /nfs/dbraw/zinc/96/10/86/1016961086.db2.gz QFUWFLFDTVJYEN-KXUCPTDWSA-N -1 0 304.368 -0.220 20 0 DBADRM COc1cccc([C@@H](O)C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC001594124195 1016961163 /nfs/dbraw/zinc/96/11/63/1016961163.db2.gz RSCYIUIONRWCCE-DGCLKSJQSA-N -1 0 323.301 -0.043 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001594127001 1016961603 /nfs/dbraw/zinc/96/16/03/1016961603.db2.gz UVSUBSFNWFXIDX-NZFPMDFQSA-N -1 0 323.349 -0.752 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001594126999 1016961868 /nfs/dbraw/zinc/96/18/68/1016961868.db2.gz UVSUBSFNWFXIDX-ILAIQSSSSA-N -1 0 323.349 -0.752 20 0 DBADRM COc1cccc(C[C@@H](O)C(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC001594125942 1016961974 /nfs/dbraw/zinc/96/19/74/1016961974.db2.gz AXKCTODVWBXQQS-DOMZBBRYSA-N -1 0 309.318 -0.042 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001594129005 1016962119 /nfs/dbraw/zinc/96/21/19/1016962119.db2.gz APFIFFUYNUFCMH-ZETCQYMHSA-N -1 0 323.280 -0.191 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001496595603 1016962259 /nfs/dbraw/zinc/96/22/59/1016962259.db2.gz QNRPQSZMDMNBHM-HTQZYQBOSA-N -1 0 309.326 -0.483 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CCC(=O)N1C ZINC001420616458 1005321822 /nfs/dbraw/zinc/32/18/22/1005321822.db2.gz MQXNHAIVYRTJBE-RKDXNWHRSA-N -1 0 310.358 -0.932 20 0 DBADRM CC1=C(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])SCCO1 ZINC001594090722 1016955934 /nfs/dbraw/zinc/95/59/34/1016955934.db2.gz QRHSSBRKKVIMKO-QMMMGPOBSA-N -1 0 300.336 -0.265 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(Cc2ncnn2C)C2CC2)c1[O-] ZINC001420652090 1005330761 /nfs/dbraw/zinc/33/07/61/1005330761.db2.gz WCTUGVPFFWDEEB-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1ncc(CN(C)C[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001420665977 1005334569 /nfs/dbraw/zinc/33/45/69/1005334569.db2.gz RFBQQWLTCSBVMS-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)c1csnn1 ZINC001420666615 1005336253 /nfs/dbraw/zinc/33/62/53/1005336253.db2.gz GKCOYVXUQOHILG-UHFFFAOYSA-N -1 0 309.355 -0.244 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N(CC(=O)[O-])C1CC1 ZINC001594120537 1016957492 /nfs/dbraw/zinc/95/74/92/1016957492.db2.gz NZVKPTHFBLXPOL-UHFFFAOYSA-N -1 0 301.324 -0.403 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)NC2(C(=O)[O-])CC(CO)C2)C1=O ZINC001594108439 1016957768 /nfs/dbraw/zinc/95/77/68/1016957768.db2.gz LVNJDEVFBGSGMZ-UHFFFAOYSA-N -1 0 324.333 -0.576 20 0 DBADRM O=C(Cc1c[nH]cn1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001420692321 1005342186 /nfs/dbraw/zinc/34/21/86/1005342186.db2.gz PGZBFPNXQHJKPX-UHFFFAOYSA-N -1 0 305.342 -0.443 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])C1=O ZINC001594108155 1016958189 /nfs/dbraw/zinc/95/81/89/1016958189.db2.gz BJDVVXPFNHPFNI-JQWIXIFHSA-N -1 0 324.333 -0.482 20 0 DBADRM CC1=C(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)Cn2nnnc2N1C ZINC001594093663 1016958534 /nfs/dbraw/zinc/95/85/34/1016958534.db2.gz JWXHXEHLRAVMTJ-BDAKNGLRSA-N -1 0 306.326 -0.234 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCOC(F)(F)F ZINC001594136914 1016962882 /nfs/dbraw/zinc/96/28/82/1016962882.db2.gz AJLCKLJOVXFZBT-NKWVEPMBSA-N -1 0 312.244 -0.039 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC001594137782 1016965064 /nfs/dbraw/zinc/96/50/64/1016965064.db2.gz GBCQDIRIKNEWRC-OPRDCNLKSA-N -1 0 311.338 -0.955 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC001594139464 1016965182 /nfs/dbraw/zinc/96/51/82/1016965182.db2.gz TYXMFISSPZLAJL-IIRVCBMXSA-N -1 0 310.350 -0.463 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cccn(C)c1=O ZINC001594139486 1016966237 /nfs/dbraw/zinc/96/62/37/1016966237.db2.gz BLOKVFJNGHVEIF-BDAKNGLRSA-N -1 0 307.306 -0.355 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCC(=O)N=S(C)(C)=O ZINC001594149341 1016966786 /nfs/dbraw/zinc/96/67/86/1016966786.db2.gz JUMLVGKTUUJELO-SFYZADRCSA-N -1 0 305.356 -0.255 20 0 DBADRM COc1c[nH]nc1NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594152687 1016966858 /nfs/dbraw/zinc/96/68/58/1016966858.db2.gz DJPHJFBHIIBMRO-UHFFFAOYSA-N -1 0 317.323 -0.364 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC001594147505 1016968455 /nfs/dbraw/zinc/96/84/55/1016968455.db2.gz PYWXJFSCMHDCNQ-OUAUKWLOSA-N -1 0 318.395 -0.573 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NCCOCCS(C)(=O)=O ZINC001594150113 1016968753 /nfs/dbraw/zinc/96/87/53/1016968753.db2.gz QYRGJYPVOAWMHF-NXEZZACHSA-N -1 0 322.383 -0.448 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001594145598 1016968949 /nfs/dbraw/zinc/96/89/49/1016968949.db2.gz UBHAOHJBHLBCJS-KBVBSXBZSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CNC(=O)c1ncccc1O ZINC001594146926 1016969240 /nfs/dbraw/zinc/96/92/40/1016969240.db2.gz IGYVVWMTHMANSE-DTWKUNHWSA-N -1 0 307.306 -0.161 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001594159824 1016969843 /nfs/dbraw/zinc/96/98/43/1016969843.db2.gz YJVSZCWBKNGBCM-IUCAKERBSA-N -1 0 322.321 -0.007 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1nc2ncc(CCO)cn2n1 ZINC001594160961 1016970039 /nfs/dbraw/zinc/97/00/39/1016970039.db2.gz ASDJXTPDILJKBJ-WPRPVWTQSA-N -1 0 319.321 -0.406 20 0 DBADRM COc1cncnc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001594155032 1016970119 /nfs/dbraw/zinc/97/01/19/1016970119.db2.gz OMNNHVVCNGRCQI-IUCAKERBSA-N -1 0 322.321 -0.007 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1nc2ncc(CCO)cn2n1 ZINC001594160957 1016970483 /nfs/dbraw/zinc/97/04/83/1016970483.db2.gz ASDJXTPDILJKBJ-SCZZXKLOSA-N -1 0 319.321 -0.406 20 0 DBADRM COc1nnc(CN(CCNC(C)=O)[C@H](C)C(=O)[O-])s1 ZINC001594161362 1016970712 /nfs/dbraw/zinc/97/07/12/1016970712.db2.gz PNZDWRNRGCKILN-SSDOTTSWSA-N -1 0 302.356 -0.042 20 0 DBADRM CS(=O)(=O)[C@H]1CCCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594163267 1016971111 /nfs/dbraw/zinc/97/11/11/1016971111.db2.gz AUZCRGJMBVKYGA-WPRPVWTQSA-N -1 0 318.351 -0.358 20 0 DBADRM COc1cncc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC001594155206 1016971474 /nfs/dbraw/zinc/97/14/74/1016971474.db2.gz UPXAJOPQXJXASY-DTWKUNHWSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001594161104 1016971890 /nfs/dbraw/zinc/97/18/90/1016971890.db2.gz KSKFESLFNIZUJZ-MRVPVSSYSA-N -1 0 312.326 -0.017 20 0 DBADRM COc1cncc(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)n1 ZINC001594155016 1016971950 /nfs/dbraw/zinc/97/19/50/1016971950.db2.gz NWPRWIRECUZSJO-RKDXNWHRSA-N -1 0 322.321 -0.007 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001594164120 1016973113 /nfs/dbraw/zinc/97/31/13/1016973113.db2.gz RXMWOOIQEXKXQL-BBBLOLIVSA-N -1 0 304.368 -0.074 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@@](O)(C(F)F)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597982845 1017224740 /nfs/dbraw/zinc/22/47/40/1017224740.db2.gz PEGSNPIVCKPLNE-DAROEXNTSA-N -1 0 320.292 -0.464 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001594164406 1016973922 /nfs/dbraw/zinc/97/39/22/1016973922.db2.gz VKVHGRKIIORSLX-QWRGUYRKSA-N -1 0 318.395 -0.429 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)C1(C(=O)[O-])CCCCC1 ZINC001594164367 1016974245 /nfs/dbraw/zinc/97/42/45/1016974245.db2.gz UAXGEGFZSHAOGN-VIFPVBQESA-N -1 0 307.368 -0.457 20 0 DBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001594164575 1016974427 /nfs/dbraw/zinc/97/44/27/1016974427.db2.gz YYKMZYBLYJURKS-MRVPVSSYSA-N -1 0 319.364 -0.332 20 0 DBADRM C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)NCCOCC(=O)[O-] ZINC001594176842 1016978802 /nfs/dbraw/zinc/97/88/02/1016978802.db2.gz NCAFPMHLBKCBPB-OPRDCNLKSA-N -1 0 301.343 -0.263 20 0 DBADRM CS(=O)(=O)c1cccnc1CNC(=O)COCC(=O)[O-] ZINC001594175926 1016978833 /nfs/dbraw/zinc/97/88/33/1016978833.db2.gz HBWCQJYCYDRZND-UHFFFAOYSA-N -1 0 302.308 -0.798 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001594170338 1016975113 /nfs/dbraw/zinc/97/51/13/1016975113.db2.gz LHBRTIMVVOIDGX-UHFFFAOYSA-N -1 0 320.367 -0.936 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)COCC(=O)[O-] ZINC001594169844 1016975720 /nfs/dbraw/zinc/97/57/20/1016975720.db2.gz BRHUBQQAIDYSHV-VHSXEESVSA-N -1 0 322.383 -0.688 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)C1 ZINC001594167588 1016976172 /nfs/dbraw/zinc/97/61/72/1016976172.db2.gz ALDXEEVGMHRRAD-NSHDSACASA-N -1 0 318.395 -0.115 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](COC(=O)COCC(=O)[O-])C1 ZINC001594169845 1016976349 /nfs/dbraw/zinc/97/63/49/1016976349.db2.gz KPSPQYSLEFIONF-SECBINFHSA-N -1 0 309.340 -0.698 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001594170254 1016977163 /nfs/dbraw/zinc/97/71/63/1016977163.db2.gz JNIAAOSGPMXEQO-GARJFASQSA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001594168000 1016977300 /nfs/dbraw/zinc/97/73/00/1016977300.db2.gz MUFLOCNYQXFDAS-SKDRFNHKSA-N -1 0 320.367 -0.982 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001594170171 1016977318 /nfs/dbraw/zinc/97/73/18/1016977318.db2.gz UHXMOWXAPXECFC-LPEHRKFASA-N -1 0 319.383 -0.427 20 0 DBADRM C[C@@H]1[C@@H](C)N(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CCN1C ZINC001594177591 1016978297 /nfs/dbraw/zinc/97/82/97/1016978297.db2.gz ZYFFRHRBUGFEGQ-HTQZYQBOSA-N -1 0 302.356 -0.179 20 0 DBADRM CS(=O)(=O)c1ccccc1CC(=O)OCC(=O)C(=O)[O-] ZINC001594175884 1016978494 /nfs/dbraw/zinc/97/84/94/1016978494.db2.gz DSXKZIIKOBXVMN-UHFFFAOYSA-N -1 0 300.288 -0.171 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)NCCCC(=O)[O-])nn1 ZINC001594173285 1016979708 /nfs/dbraw/zinc/97/97/08/1016979708.db2.gz DJQHJIXGOXJSAU-UHFFFAOYSA-N -1 0 302.312 -0.134 20 0 DBADRM CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)COCC(=O)[O-] ZINC001594178342 1016979896 /nfs/dbraw/zinc/97/98/96/1016979896.db2.gz KJCUJLMGJQBJCC-QMMMGPOBSA-N -1 0 306.340 -0.667 20 0 DBADRM CS(=O)(=O)c1nnc(CN2CCOC[C@H]2C(=O)[O-])s1 ZINC001594178287 1016980221 /nfs/dbraw/zinc/98/02/21/1016980221.db2.gz JFDFVVKNCLQJAV-LURJTMIESA-N -1 0 307.353 -0.773 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594179897 1016981373 /nfs/dbraw/zinc/98/13/73/1016981373.db2.gz SEYUKBCRTLOCCK-MEZGXGNXSA-N -1 0 316.379 -0.666 20 0 DBADRM C[S@@](=O)c1ccc(CNC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC001594179017 1016981479 /nfs/dbraw/zinc/98/14/79/1016981479.db2.gz UELOLRBPXJXPEN-OAQYLSRUSA-N -1 0 312.347 -0.369 20 0 DBADRM CSC[C@](C)(O)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594185794 1016981751 /nfs/dbraw/zinc/98/17/51/1016981751.db2.gz QIVWCZZZYFXEHC-TVQRCGJNSA-N -1 0 318.395 -0.460 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1)C(=O)[O-] ZINC001594199890 1016985261 /nfs/dbraw/zinc/98/52/61/1016985261.db2.gz VWRFFVZWMRXUGH-HQJQHLMTSA-N -1 0 321.289 -0.561 20 0 DBADRM CSCC[C@H]1NC(=O)N(CCS(=O)(=O)CC(=O)[O-])C1=O ZINC001594184352 1016982645 /nfs/dbraw/zinc/98/26/45/1016982645.db2.gz ACLNTIGHXOKRAX-SSDOTTSWSA-N -1 0 324.380 -0.841 20 0 DBADRM C[C@@H](O)C1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC001594208702 1016983623 /nfs/dbraw/zinc/98/36/23/1016983623.db2.gz OUUWJBXOWUZHCY-BMIGLBTASA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001594199206 1016983712 /nfs/dbraw/zinc/98/37/12/1016983712.db2.gz UOFZQFSFGNZJQN-ZCFIWIBFSA-N -1 0 302.312 -0.993 20 0 DBADRM C[C@@H](O)C1CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001594211535 1016983835 /nfs/dbraw/zinc/98/38/35/1016983835.db2.gz MDNUBXZHKDYSNK-ZYHUDNBSSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](O)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC001594208584 1016985372 /nfs/dbraw/zinc/98/53/72/1016985372.db2.gz BUFGTUDBDNHHLW-ADEWGFFLSA-N -1 0 306.318 -0.090 20 0 DBADRM CSc1nccnc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001594198429 1016985487 /nfs/dbraw/zinc/98/54/87/1016985487.db2.gz CAIZKERMMHMIRS-UHFFFAOYSA-N -1 0 310.335 -0.433 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)nn1C)C(=O)[O-] ZINC001594199649 1016985541 /nfs/dbraw/zinc/98/55/41/1016985541.db2.gz AKADPGTYIASAKG-SCSAIBSYSA-N -1 0 308.216 -0.033 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)Cn1ncn2nccc2c1=O ZINC001594218000 1016986744 /nfs/dbraw/zinc/98/67/44/1016986744.db2.gz FVEUBLCIYTXBGM-PSASIEDQSA-N -1 0 305.294 -0.645 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(CCn2cncn2)CC1 ZINC001594223424 1016986813 /nfs/dbraw/zinc/98/68/13/1016986813.db2.gz DAIRIKFYMVKIAU-RISCZKNCSA-N -1 0 307.354 -0.467 20 0 DBADRM C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])O1 ZINC001594217130 1016987099 /nfs/dbraw/zinc/98/70/99/1016987099.db2.gz OXPPZGKUQPPRTH-JXUBOQSCSA-N -1 0 305.352 -0.490 20 0 DBADRM C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])O1 ZINC001594215933 1016987270 /nfs/dbraw/zinc/98/72/70/1016987270.db2.gz CHPBMLRYVXHXGE-WYFGTUCQSA-N -1 0 319.379 -0.100 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC001594225048 1016987369 /nfs/dbraw/zinc/98/73/69/1016987369.db2.gz VDYCHYQOJXCNSQ-COMAGPEQSA-N -1 0 317.363 -0.488 20 0 DBADRM C[C@@H]1C[C@H](C)CN(C(=O)CN2[C@@H](C(=O)[O-])CCS2(=O)=O)C1 ZINC001594222186 1016987971 /nfs/dbraw/zinc/98/79/71/1016987971.db2.gz WFTIFFBXVINARH-OUAUKWLOSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC001594222403 1016988116 /nfs/dbraw/zinc/98/81/16/1016988116.db2.gz IBEZKNVIGQITEF-RNCFNFMXSA-N -1 0 318.395 -0.115 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC001594225202 1016988372 /nfs/dbraw/zinc/98/83/72/1016988372.db2.gz DVSPWWAAGMDHKU-QYTUQVAYSA-N -1 0 318.395 -0.069 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(=O)N(C)C ZINC001594233274 1016989617 /nfs/dbraw/zinc/98/96/17/1016989617.db2.gz VGIAVRPVFCJOCW-UWVGGRQHSA-N -1 0 313.354 -0.707 20 0 DBADRM C[C@H]1C[C@@H](CNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CCO1 ZINC001594238673 1016989781 /nfs/dbraw/zinc/98/97/81/1016989781.db2.gz DQVFFTZIUUARCM-IUCAKERBSA-N -1 0 324.337 -0.012 20 0 DBADRM C[C@@H]1C[C@H](CO)CN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001594243772 1016990255 /nfs/dbraw/zinc/99/02/55/1016990255.db2.gz PTJNJRNLJLQFMQ-MNOVXSKESA-N -1 0 315.370 -0.373 20 0 DBADRM C[C@H]1C[C@@H](CO)CN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001594244526 1016990828 /nfs/dbraw/zinc/99/08/28/1016990828.db2.gz XBABKQOXBLEWMO-ODSPTNCSSA-N -1 0 324.377 -0.167 20 0 DBADRM C[C@H](O)C1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC001594241797 1016991335 /nfs/dbraw/zinc/99/13/35/1016991335.db2.gz OUUWJBXOWUZHCY-ZUZCIYMTSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCCOCC(=O)[O-] ZINC001594249456 1016992023 /nfs/dbraw/zinc/99/20/23/1016992023.db2.gz HWLKXFPWNZTOLC-NWDGAFQWSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c2ncnn21 ZINC001594249580 1016992467 /nfs/dbraw/zinc/99/24/67/1016992467.db2.gz OLGSFAXGVITTTA-FNCVBFRFSA-N -1 0 307.310 -0.621 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)[C@@H](C)O1 ZINC001594249006 1016993175 /nfs/dbraw/zinc/99/31/75/1016993175.db2.gz ILIQZQUSGZEAOO-XXFSISAASA-N -1 0 314.338 -0.631 20 0 DBADRM C[C@@H]1CC[C@H](CNC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1 ZINC001594305239 1016999993 /nfs/dbraw/zinc/99/99/93/1016999993.db2.gz KOHSPCBNYKDHSO-WRWGMCAJSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)Cn2cc(C(=O)[O-])nn2)CS1(=O)=O ZINC001594315178 1017000961 /nfs/dbraw/zinc/00/09/61/1017000961.db2.gz VBLUXDGONFJEKY-SFYZADRCSA-N -1 0 316.339 -0.942 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)[C@@H]1CCC[C@@H](C)C1 ZINC001594356544 1017000249 /nfs/dbraw/zinc/00/02/49/1017000249.db2.gz WZCZXWRYGRILPC-OUAUKWLOSA-N -1 0 312.366 -0.025 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])nnn1C ZINC001594263378 1016996586 /nfs/dbraw/zinc/99/65/86/1016996586.db2.gz PIEQXSIUVHXZHG-SECBINFHSA-N -1 0 311.342 -0.075 20 0 DBADRM C[C@@H]1C[C@@H](S(=O)(=O)NCCC(=O)NCCC(=O)[O-])CCO1 ZINC001594265591 1016996772 /nfs/dbraw/zinc/99/67/72/1016996772.db2.gz GKPDCYWBYCJHDK-ZJUUUORDSA-N -1 0 322.383 -0.546 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)C2(C(=O)[O-])CCC2)CC1=O ZINC001594276481 1016997036 /nfs/dbraw/zinc/99/70/36/1016997036.db2.gz CNUWGKBNRLHBSO-UTLUCORTSA-N -1 0 316.379 -0.078 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC001594259232 1016997200 /nfs/dbraw/zinc/99/72/00/1016997200.db2.gz BSWACMQRKPPXBZ-APHKKCJPSA-N -1 0 306.322 -0.249 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)[C@H]1CCC[C@H](C)C1 ZINC001594356542 1016999052 /nfs/dbraw/zinc/99/90/52/1016999052.db2.gz WZCZXWRYGRILPC-DCAQKATOSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1CCCCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1 ZINC001594370303 1016999168 /nfs/dbraw/zinc/99/91/68/1016999168.db2.gz LQEFWGBKJVDRCQ-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001594389657 1017002109 /nfs/dbraw/zinc/00/21/09/1017002109.db2.gz STNXZNJUUHDESL-YMTOWFKASA-N -1 0 309.322 -0.171 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C[C@@H]1CO ZINC001594392658 1017002822 /nfs/dbraw/zinc/00/28/22/1017002822.db2.gz IRZQTEIQHUFNEN-UZEXVOJHSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)C1 ZINC001594377951 1017002960 /nfs/dbraw/zinc/00/29/60/1017002960.db2.gz FKXICNTUDQVQNU-MWLCHTKSSA-N -1 0 308.338 -0.080 20 0 DBADRM Cc1cccc([C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(=O)[O-])c1 ZINC001594391557 1017003823 /nfs/dbraw/zinc/00/38/23/1017003823.db2.gz GXTIKVXCBGJINP-MNOVXSKESA-N -1 0 312.347 -0.071 20 0 DBADRM C[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@@H](C(=O)[O-])C1 ZINC001594395748 1017005454 /nfs/dbraw/zinc/00/54/54/1017005454.db2.gz DMQLCGOOQGNPKP-NXEZZACHSA-N -1 0 306.384 -0.020 20 0 DBADRM CC1CCN(C(=O)CN2[C@@H](C(=O)[O-])CCS2(=O)=O)CC1 ZINC001594400766 1017005545 /nfs/dbraw/zinc/00/55/45/1017005545.db2.gz LFNWOKUAQWRSFG-SNVBAGLBSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)[C@H]1CO ZINC001594396226 1017006805 /nfs/dbraw/zinc/00/68/05/1017006805.db2.gz WIKIAQOFPQSMKL-WPRPVWTQSA-N -1 0 307.306 -0.052 20 0 DBADRM C[C@H]1CCN(CC(=O)N2CCC(C(N)=O)CC2)[C@H](C(=O)[O-])C1 ZINC001594422841 1017008184 /nfs/dbraw/zinc/00/81/84/1017008184.db2.gz PBTPNUVMFOJSTI-JQWIXIFHSA-N -1 0 311.382 -0.105 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)[C@@H](C(N)=O)C1 ZINC001594428108 1017008262 /nfs/dbraw/zinc/00/82/62/1017008262.db2.gz YRZUJAYLLNCJOY-RKDXNWHRSA-N -1 0 304.368 -0.233 20 0 DBADRM Cc1cn2nnc(C(=O)N[C@]3(C(=O)[O-])CCOC3)c2c(=O)[nH]1 ZINC001594426121 1017008774 /nfs/dbraw/zinc/00/87/74/1017008774.db2.gz ANFOMLRMXKJSJL-GFCCVEGCSA-N -1 0 307.266 -0.888 20 0 DBADRM Cc1ccn(CC(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)c(=O)c1 ZINC001594421716 1017008883 /nfs/dbraw/zinc/00/88/83/1017008883.db2.gz XXTNNQSITXINSJ-JTQLQIEISA-N -1 0 308.290 -0.615 20 0 DBADRM Cc1cnc2c(C(=O)NCCOCCOCC(=O)[O-])cnn2c1 ZINC001594429719 1017009184 /nfs/dbraw/zinc/00/91/84/1017009184.db2.gz AVUYOKPBALADRY-UHFFFAOYSA-N -1 0 322.321 -0.115 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)Nc2cc(C(=O)[O-])n[nH]2)c(=O)c1 ZINC001594421678 1017009359 /nfs/dbraw/zinc/00/93/59/1017009359.db2.gz UUJUWGMVAORIKQ-CQSZACIVSA-N -1 0 320.305 -0.032 20 0 DBADRM Cc1nc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])nn1-c1nc[nH]n1 ZINC001594447225 1017012484 /nfs/dbraw/zinc/01/24/84/1017012484.db2.gz ISBRVVOBISSEHO-QMMMGPOBSA-N -1 0 307.314 -0.077 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2cnc(N)nc2)[C@@H](C(=O)[O-])C1 ZINC001594432066 1017009929 /nfs/dbraw/zinc/00/99/29/1017009929.db2.gz QIBBGWTUGVBSDU-IONNQARKSA-N -1 0 300.340 -0.067 20 0 DBADRM C[C@@H]1CCc2nc(C(=O)N[C@H](Cn3cncn3)C(=O)[O-])cn2C1 ZINC001594448150 1017012580 /nfs/dbraw/zinc/01/25/80/1017012580.db2.gz PPKORUQHQSJULZ-MWLCHTKSSA-N -1 0 318.337 -0.060 20 0 DBADRM Cc1cnccc1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001594433507 1017009981 /nfs/dbraw/zinc/00/99/81/1017009981.db2.gz AKRIZNOKLYNIGW-LLVKDONJSA-N -1 0 307.306 -0.682 20 0 DBADRM C[C@@H](CNC(=O)c1cc[nH]c1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001428665018 1005982013 /nfs/dbraw/zinc/98/20/13/1005982013.db2.gz WYMBFJPCCXIFBQ-QMMMGPOBSA-N -1 0 319.321 -0.638 20 0 DBADRM Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001594442815 1017011178 /nfs/dbraw/zinc/01/11/78/1017011178.db2.gz DGTOMCPPLGZSJP-VIFPVBQESA-N -1 0 322.365 -0.039 20 0 DBADRM C[C@@H]1CCOCCN1C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001594439771 1017011317 /nfs/dbraw/zinc/01/13/17/1017011317.db2.gz BQPRUVRVJAQICA-OZWUEAAUSA-N -1 0 310.350 -0.007 20 0 DBADRM Cc1nc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(C)o1 ZINC001594446316 1017011410 /nfs/dbraw/zinc/01/14/10/1017011410.db2.gz GDCKABHHERIEQG-QMMMGPOBSA-N -1 0 302.308 -0.385 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001594438873 1017011793 /nfs/dbraw/zinc/01/17/93/1017011793.db2.gz IOHNNYMJRWWLSF-GMSGAONNSA-N -1 0 313.335 -0.417 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCOCC[C@@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001594440455 1017012277 /nfs/dbraw/zinc/01/22/77/1017012277.db2.gz SNERHVHLGBRTCJ-DCAQKATOSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC12CC2 ZINC001428730916 1006010450 /nfs/dbraw/zinc/01/04/50/1006010450.db2.gz OSADRFNCKMPSJH-RNFRBKRXSA-N -1 0 307.310 -0.683 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2csnn2)c1[O-] ZINC001428729660 1006010943 /nfs/dbraw/zinc/01/09/43/1006010943.db2.gz PLNMEYGBMWAXIO-RXMQYKEDSA-N -1 0 310.339 -0.176 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC(C)(F)F ZINC001428728116 1006011152 /nfs/dbraw/zinc/01/11/52/1006011152.db2.gz AHEJUVFJUMLYQZ-RXMQYKEDSA-N -1 0 319.268 -0.437 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])CC(=O)N1 ZINC001594458832 1017017560 /nfs/dbraw/zinc/01/75/60/1017017560.db2.gz LCWAEFUDFVQLHV-ZETCQYMHSA-N -1 0 323.280 -0.191 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C2 ZINC001594465390 1017017587 /nfs/dbraw/zinc/01/75/87/1017017587.db2.gz CTHPJZANZCEMEP-QMMMGPOBSA-N -1 0 309.326 -0.892 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)C(=O)NCCCCCC(=O)[O-])C2 ZINC001594465466 1017017923 /nfs/dbraw/zinc/01/79/23/1017017923.db2.gz GVCKNUMTBOERJW-UHFFFAOYSA-N -1 0 323.353 -0.310 20 0 DBADRM Cc1[nH]c(=O)ccc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594460430 1017018137 /nfs/dbraw/zinc/01/81/37/1017018137.db2.gz QJTUHBRWDLYTIP-SECBINFHSA-N -1 0 314.319 -0.581 20 0 DBADRM CC[C@@H](OC)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001440246867 1006023944 /nfs/dbraw/zinc/02/39/44/1006023944.db2.gz KDYSKRASCAYWPW-NXEZZACHSA-N -1 0 313.358 -0.748 20 0 DBADRM C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001594462021 1017018458 /nfs/dbraw/zinc/01/84/58/1017018458.db2.gz CFJQEWSWDQUWMB-RKDXNWHRSA-N -1 0 321.337 -0.443 20 0 DBADRM Cc1n[nH]cc1CN(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001594442506 1017012993 /nfs/dbraw/zinc/01/29/93/1017012993.db2.gz ZFZHUBBQAQACIX-JTQLQIEISA-N -1 0 302.356 -0.056 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001594438895 1017013052 /nfs/dbraw/zinc/01/30/52/1017013052.db2.gz IRFUGJPDIXAQLJ-IUCAKERBSA-N -1 0 304.368 -0.315 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C[C@@]1(C)CO ZINC001594454259 1017014572 /nfs/dbraw/zinc/01/45/72/1017014572.db2.gz MMYWOXCJANKUMW-BONVTDFDSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)c2ccccc2O1 ZINC001594453378 1017014938 /nfs/dbraw/zinc/01/49/38/1017014938.db2.gz GWFHQFHCIQAJFN-VIFPVBQESA-N -1 0 320.301 -0.542 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)OC[C@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001594452856 1017015770 /nfs/dbraw/zinc/01/57/70/1017015770.db2.gz BAKNDPFODVBXCU-YTWAJWBKSA-N -1 0 314.338 -0.677 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C2 ZINC001594465334 1017019724 /nfs/dbraw/zinc/01/97/24/1017019724.db2.gz ACMHCHLDNKUJIO-SNVBAGLBSA-N -1 0 321.337 -0.748 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C[C@@]1(C)CO ZINC001594457537 1017019891 /nfs/dbraw/zinc/01/98/91/1017019891.db2.gz HSCCGCBKTDHGSG-FJNZGUHISA-N -1 0 324.377 -0.167 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cccc(C(=O)[O-])c2=O)CC(=O)N1C ZINC001594470288 1017021675 /nfs/dbraw/zinc/02/16/75/1017021675.db2.gz ICLHCEDAIPXSRF-VIFPVBQESA-N -1 0 307.306 -0.764 20 0 DBADRM C[C@@H]1CN(C(=O)CN[C@]2(C(=O)[O-])CCOC2)CC(C)(C)O1 ZINC001594469094 1017021766 /nfs/dbraw/zinc/02/17/66/1017021766.db2.gz SVUCORODKUNCKZ-QMTHXVAHSA-N -1 0 300.355 -0.154 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001594468204 1017022117 /nfs/dbraw/zinc/02/21/17/1017022117.db2.gz HMHWTKLRAJKMRV-MRVPVSSYSA-N -1 0 313.335 -0.416 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)CC(=O)[O-] ZINC001594465544 1017022238 /nfs/dbraw/zinc/02/22/38/1017022238.db2.gz HWMMVKFSGRGJHY-ZCFIWIBFSA-N -1 0 306.326 -0.155 20 0 DBADRM Cc1nccc(CNC(=O)c2cccn(CC(=O)[O-])c2=O)n1 ZINC001594469470 1017022707 /nfs/dbraw/zinc/02/27/07/1017022707.db2.gz FVJWQCAYWZQYAG-UHFFFAOYSA-N -1 0 302.290 -0.039 20 0 DBADRM C[C@H]1CN(C(=O)CN2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CCO1 ZINC001594465530 1017023346 /nfs/dbraw/zinc/02/33/46/1017023346.db2.gz SAFAPJWISXQNME-HZMBPMFUSA-N -1 0 311.338 -0.461 20 0 DBADRM C[C@@H]1CN(C(=O)CN[C@@]2(C(=O)[O-])CCOC2)CC(C)(C)O1 ZINC001594469095 1017023670 /nfs/dbraw/zinc/02/36/70/1017023670.db2.gz SVUCORODKUNCKZ-YGRLFVJLSA-N -1 0 300.355 -0.154 20 0 DBADRM CN(CCCN(C)C(=O)c1cn(C)cn1)Cc1n[nH]c(=O)[n-]1 ZINC001440438601 1006127180 /nfs/dbraw/zinc/12/71/80/1006127180.db2.gz WPZGMTPYFIIDJG-UHFFFAOYSA-N -1 0 307.358 -0.162 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@]2(CCOC2)O1 ZINC001594470304 1017023851 /nfs/dbraw/zinc/02/38/51/1017023851.db2.gz IJYPASYPCBRMQX-ZANVPECISA-N -1 0 310.310 -0.617 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001440442329 1006131617 /nfs/dbraw/zinc/13/16/17/1006131617.db2.gz JLYIIHIVGZXBNA-SECBINFHSA-N -1 0 312.374 -0.698 20 0 DBADRM Cc1nccn1C[C@@H](C)CNC(=O)c1cn(CC(=O)[O-])nn1 ZINC001594475778 1017024185 /nfs/dbraw/zinc/02/41/85/1017024185.db2.gz UBAXMKMUKBOFHJ-VIFPVBQESA-N -1 0 306.326 -0.066 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C[C@H](CO)O1 ZINC001594476377 1017024324 /nfs/dbraw/zinc/02/43/24/1017024324.db2.gz YEKNAJGGCFPFBG-LNFKQOIKSA-N -1 0 302.327 -0.733 20 0 DBADRM Cc1nccn1CCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001594471711 1017025034 /nfs/dbraw/zinc/02/50/34/1017025034.db2.gz KAJUDOUQTKNMOQ-UHFFFAOYSA-N -1 0 304.306 -0.132 20 0 DBADRM Cc1nn(C)cc1-c1cn([C@@H]2CCN(CC(=O)[O-])C2=O)nn1 ZINC001594484074 1017025702 /nfs/dbraw/zinc/02/57/02/1017025702.db2.gz AUFXYWHAMMSWGZ-LLVKDONJSA-N -1 0 304.310 -0.155 20 0 DBADRM Cc1ncsc1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001594476523 1017025767 /nfs/dbraw/zinc/02/57/67/1017025767.db2.gz IDXUNSORMDNJLG-QMMMGPOBSA-N -1 0 313.335 -0.620 20 0 DBADRM C[C@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])CC[C@@H]1O ZINC001594472896 1017025792 /nfs/dbraw/zinc/02/57/92/1017025792.db2.gz DWRSLERJSKGNGI-UWVGGRQHSA-N -1 0 301.343 -0.620 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C[C@@H](C)S1(=O)=O ZINC001594474292 1017026106 /nfs/dbraw/zinc/02/61/06/1017026106.db2.gz DYBHWBJAMBOHMR-ZYUZMQFOSA-N -1 0 304.368 -0.076 20 0 DBADRM Cc1nccn1CCCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001594471738 1017026267 /nfs/dbraw/zinc/02/62/67/1017026267.db2.gz MHCOCMWPXMLWBD-GFCCVEGCSA-N -1 0 322.365 -0.027 20 0 DBADRM C[C@H]1CN(C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)CC(=O)N1 ZINC001594473333 1017026361 /nfs/dbraw/zinc/02/63/61/1017026361.db2.gz KHXWGVCXEYITFB-IUCAKERBSA-N -1 0 321.337 -0.054 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@@]2(CCCOC2)O1 ZINC001594471532 1017026412 /nfs/dbraw/zinc/02/64/12/1017026412.db2.gz XTXBIXDVRKLUDA-QMTHXVAHSA-N -1 0 324.337 -0.227 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001594474305 1017026781 /nfs/dbraw/zinc/02/67/81/1017026781.db2.gz FBBWKDYBGRCVOH-OPRDCNLKSA-N -1 0 304.368 -0.074 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001594480614 1017026817 /nfs/dbraw/zinc/02/68/17/1017026817.db2.gz RUPUKBZBRPTIRD-IINYFYTJSA-N -1 0 311.338 -0.180 20 0 DBADRM Cc1nccn1C[C@@H](C)CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001594474916 1017026852 /nfs/dbraw/zinc/02/68/52/1017026852.db2.gz HWFOCQIWBDJYDM-CMPLNLGQSA-N -1 0 322.365 -0.123 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN(CCO)[C@@H](C)C2)O[C@H]1C(=O)[O-] ZINC001594485032 1017028507 /nfs/dbraw/zinc/02/85/07/1017028507.db2.gz GSRWWOIBVZPNML-WRWGMCAJSA-N -1 0 300.355 -0.610 20 0 DBADRM CC1(C(=O)N2CCC[C@@](CO)(NCc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001440543242 1006183240 /nfs/dbraw/zinc/18/32/40/1006183240.db2.gz CJZWLRWXMVGBRR-CQSZACIVSA-N -1 0 309.370 -0.247 20 0 DBADRM CC(=O)N1CC[C@H]1CN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001429045543 1006197180 /nfs/dbraw/zinc/19/71/80/1006197180.db2.gz RNCCSNWXXUZHRG-JTQLQIEISA-N -1 0 318.337 -0.850 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001440563000 1006203762 /nfs/dbraw/zinc/20/37/62/1006203762.db2.gz VNXKRIKULYDZRX-ZUZCIYMTSA-N -1 0 323.397 -0.001 20 0 DBADRM C[C@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])n2)CCN1CCO ZINC001594505206 1017031572 /nfs/dbraw/zinc/03/15/72/1017031572.db2.gz AUAFROKRPPHFQY-NSHDSACASA-N -1 0 322.365 -0.283 20 0 DBADRM C[C@@H]1CN(CC(=O)NCCC(=O)[O-])CC2(CCOCC2)O1 ZINC001594507853 1017031817 /nfs/dbraw/zinc/03/18/17/1017031817.db2.gz PYFTWVFSSZDFHF-LLVKDONJSA-N -1 0 300.355 -0.153 20 0 DBADRM C[C@@H]1CN([C@H]2CCN(CCC(=O)[O-])C2=O)CC[S@](=O)C1 ZINC001594504799 1017032499 /nfs/dbraw/zinc/03/24/99/1017032499.db2.gz AFTUNUWLNBBEJD-NLQQUQSOSA-N -1 0 302.396 -0.238 20 0 DBADRM CN(CCNC(=O)C(C)(F)F)C(=O)c1cnc([O-])n(C)c1=O ZINC001429138950 1006242080 /nfs/dbraw/zinc/24/20/80/1006242080.db2.gz XCHROVPHBVDIFW-UHFFFAOYSA-N -1 0 318.280 -0.671 20 0 DBADRM C[C@@H]1CN([C@@H]2CCCN(CCC(=O)[O-])C2=O)C[C@H](CO)O1 ZINC001594509254 1017034085 /nfs/dbraw/zinc/03/40/85/1017034085.db2.gz XPXVEQPCMCFBET-IJLUTSLNSA-N -1 0 300.355 -0.466 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001594498061 1017034415 /nfs/dbraw/zinc/03/44/15/1017034415.db2.gz GAJHPDIRXJMKAI-OFYUCFFLSA-N -1 0 323.349 -0.955 20 0 DBADRM Cc1noc([C@H](C)NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC001594496036 1017034542 /nfs/dbraw/zinc/03/45/42/1017034542.db2.gz QUFKUKHRADBCJT-WPPNPWJKSA-N -1 0 310.310 -0.122 20 0 DBADRM COc1cc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)nn1C ZINC001496746793 1017035889 /nfs/dbraw/zinc/03/58/89/1017035889.db2.gz SIMKXRGOZBWFAR-UHFFFAOYSA-N -1 0 323.357 -0.544 20 0 DBADRM C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001594520278 1017037075 /nfs/dbraw/zinc/03/70/75/1017037075.db2.gz PMNHZBZYEJUSDU-VIFPVBQESA-N -1 0 324.337 -0.893 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)NCc1ccon1 ZINC001594513740 1017037184 /nfs/dbraw/zinc/03/71/84/1017037184.db2.gz OQSMYHXGZXDOCR-JTQLQIEISA-N -1 0 324.337 -0.702 20 0 DBADRM CN(CCNC(=O)C1=CCCC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001429206031 1006283011 /nfs/dbraw/zinc/28/30/11/1006283011.db2.gz CWMJBYWFZJRKNQ-UHFFFAOYSA-N -1 0 320.349 -0.216 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)NC/C=C\Cl ZINC001594514230 1017039048 /nfs/dbraw/zinc/03/90/48/1017039048.db2.gz VFTXTLHQENCRIQ-GQPNGRKGSA-N -1 0 317.773 -0.138 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)Nc1cnn(C)c1 ZINC001594512968 1017039083 /nfs/dbraw/zinc/03/90/83/1017039083.db2.gz CUWQCNVMQBICSM-JTQLQIEISA-N -1 0 323.353 -0.634 20 0 DBADRM COCCC(=O)N(C)CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001429262737 1006319868 /nfs/dbraw/zinc/31/98/68/1006319868.db2.gz NSKCJSNVRBDUMM-UHFFFAOYSA-N -1 0 321.337 -0.753 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H]1C1CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429286704 1006334924 /nfs/dbraw/zinc/33/49/24/1006334924.db2.gz MQZVATCQOONJSW-DTWKUNHWSA-N -1 0 321.337 -0.483 20 0 DBADRM C[C@@H]1CN(CCNC(=O)Cn2cc(C(=O)[O-])cn2)[C@H](C)CO1 ZINC001594527953 1017042328 /nfs/dbraw/zinc/04/23/28/1017042328.db2.gz QFFPPMADUFFUJQ-GHMZBOCLSA-N -1 0 310.354 -0.193 20 0 DBADRM C[C@@H]1CN(CCNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CCO1 ZINC001594527484 1017042626 /nfs/dbraw/zinc/04/26/26/1017042626.db2.gz KGJCDCZYVUPUOY-UTUOFQBUSA-N -1 0 315.370 -0.816 20 0 DBADRM C[C@H](CNC(=O)[C@@H](C)n1cccn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440897691 1006345039 /nfs/dbraw/zinc/34/50/39/1006345039.db2.gz CUENUSBTIOASCL-NXEZZACHSA-N -1 0 307.358 -0.096 20 0 DBADRM C[C@@H]1CN(CCNS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1 ZINC001594532152 1017043069 /nfs/dbraw/zinc/04/30/69/1017043069.db2.gz UUDKYTHDACUROT-MRVPVSSYSA-N -1 0 318.355 -0.893 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC1(F)F)N(C)Cc1nc(=O)n(C)[nH]1 ZINC001440914263 1006357022 /nfs/dbraw/zinc/35/70/22/1006357022.db2.gz OQQNOPRDVAVFBX-HTQZYQBOSA-N -1 0 303.313 -0.300 20 0 DBADRM C[C@@H]1CN(CCc2cn(CC(=O)[O-])nn2)C[C@H](C)[S@@]1=O ZINC001594530836 1017044561 /nfs/dbraw/zinc/04/45/61/1017044561.db2.gz DNAROFZRXXCHCD-YDNVHUBRSA-N -1 0 300.384 -0.254 20 0 DBADRM Cc1cn(C)nc1C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440921129 1006363613 /nfs/dbraw/zinc/36/36/13/1006363613.db2.gz RKZKOLKWMWNVMA-SECBINFHSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CCCC(=O)[O-])CCN1CC(C)(C)O ZINC001594550539 1017046030 /nfs/dbraw/zinc/04/60/30/1017046030.db2.gz NRAMJJLRCXFDSN-NSHDSACASA-N -1 0 322.427 -0.042 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CCCCCC(=O)[O-])CCN1CCO ZINC001594550718 1017046535 /nfs/dbraw/zinc/04/65/35/1017046535.db2.gz PHGIMJBAAFAOQA-LBPRGKRZSA-N -1 0 322.427 -0.040 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)CC(F)(F)F ZINC001429394516 1006382462 /nfs/dbraw/zinc/38/24/62/1006382462.db2.gz GBBHYSSZJINJIO-UHFFFAOYSA-N -1 0 323.231 -0.577 20 0 DBADRM C[C@@H](CNC(=O)CCc1cncnc1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440952800 1006385986 /nfs/dbraw/zinc/38/59/86/1006385986.db2.gz YPFUGWCTWPNOKI-JTQLQIEISA-N -1 0 319.369 -0.130 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC(C)(C)CNS(C)(=O)=O ZINC001594564375 1017046868 /nfs/dbraw/zinc/04/68/68/1017046868.db2.gz OWGKCFMUSIEEHK-UHFFFAOYSA-N -1 0 318.355 -0.824 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CCCC(=O)[O-])CCN1CC(C)(C)O ZINC001594550538 1017047119 /nfs/dbraw/zinc/04/71/19/1017047119.db2.gz NRAMJJLRCXFDSN-LLVKDONJSA-N -1 0 322.427 -0.042 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440962178 1006394297 /nfs/dbraw/zinc/39/42/97/1006394297.db2.gz LDEWZRZBTMUQPP-DTWKUNHWSA-N -1 0 310.358 -0.932 20 0 DBADRM C[C@@H]1CN(c2nnnn2[C@@H]2CC=C(C(=O)[O-])C2)CC(=O)N1C ZINC001594583393 1017047819 /nfs/dbraw/zinc/04/78/19/1017047819.db2.gz GTEJTGGIPLKGTL-PSASIEDQSA-N -1 0 306.326 -0.314 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC[S@@](=O)C1 ZINC001594554137 1017047857 /nfs/dbraw/zinc/04/78/57/1017047857.db2.gz KXKJKKQNVAZOBP-ZDVLTJLQSA-N -1 0 321.380 -0.503 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001594648829 1017056776 /nfs/dbraw/zinc/05/67/76/1017056776.db2.gz NHLMPTIBCPBIAT-QWRGUYRKSA-N -1 0 306.384 -0.414 20 0 DBADRM CC(C)(C)CC(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001441027067 1006432476 /nfs/dbraw/zinc/43/24/76/1006432476.db2.gz UEUUREAYEOXCDH-UHFFFAOYSA-N -1 0 311.386 -0.001 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001594640266 1017054944 /nfs/dbraw/zinc/05/49/44/1017054944.db2.gz NRRVTQQANCAEHH-XPTSAGLGSA-N -1 0 310.306 -0.797 20 0 DBADRM C[C@@H]1OCC[C@H]1C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001594643382 1017055124 /nfs/dbraw/zinc/05/51/24/1017055124.db2.gz UGHXJYLNMDRJQH-VHSXEESVSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H]1Oc2c(cccc2C(=O)NCC(=O)NCC(=O)[O-])NC1=O ZINC001594650288 1017055556 /nfs/dbraw/zinc/05/55/56/1017055556.db2.gz BTCYUQKFZBHUGG-ZETCQYMHSA-N -1 0 321.289 -0.663 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNC(=O)COCc1ocnc1C(=O)[O-] ZINC001594640744 1017055975 /nfs/dbraw/zinc/05/59/75/1017055975.db2.gz SZVUFNOSCOFJRU-ISVAXAHUSA-N -1 0 314.294 -0.455 20 0 DBADRM CC(C)[C@H](C)C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001429512641 1006453132 /nfs/dbraw/zinc/45/31/32/1006453132.db2.gz RQHGXFLOAFOVFS-VIFPVBQESA-N -1 0 313.358 -0.444 20 0 DBADRM C[C@H]1Oc2c(cccc2C(=O)NCC(=O)NCC(=O)[O-])NC1=O ZINC001594650287 1017056015 /nfs/dbraw/zinc/05/60/15/1017056015.db2.gz BTCYUQKFZBHUGG-SSDOTTSWSA-N -1 0 321.289 -0.663 20 0 DBADRM C[C@@H]1Oc2c(cccc2C(=O)NC[C@@H](O)CC(=O)[O-])NC1=O ZINC001594650335 1017056242 /nfs/dbraw/zinc/05/62/42/1017056242.db2.gz CUUNYVJRGWOIGP-YUMQZZPRSA-N -1 0 308.290 -0.029 20 0 DBADRM CCN(CCNC(=O)c1ccc[nH]1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001429524886 1006461072 /nfs/dbraw/zinc/46/10/72/1006461072.db2.gz ADYGIEIHACFDOE-UHFFFAOYSA-N -1 0 322.325 -0.704 20 0 DBADRM C[C@H]1COCC[C@@H]1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001594597287 1017050690 /nfs/dbraw/zinc/05/06/90/1017050690.db2.gz QFGQBENTLPDXOG-UWVGGRQHSA-N -1 0 308.338 -0.203 20 0 DBADRM C[C@@H]1COCC[C@@H]1CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001594598642 1017051107 /nfs/dbraw/zinc/05/11/07/1017051107.db2.gz YAPMMHDPDYOSND-RKDXNWHRSA-N -1 0 324.337 -0.154 20 0 DBADRM CNC(=O)c1ccc(C)c(NC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001441099187 1006473543 /nfs/dbraw/zinc/47/35/43/1006473543.db2.gz LCPFAKCNJXVKIY-UHFFFAOYSA-N -1 0 305.294 -0.004 20 0 DBADRM O=C(CCc1cncnc1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001441100443 1006474241 /nfs/dbraw/zinc/47/42/41/1006474241.db2.gz IDPBXBZGTFWMLF-LLVKDONJSA-N -1 0 317.353 -0.376 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)Nc1cc(C(=O)[O-])nn1C ZINC001594607771 1017051940 /nfs/dbraw/zinc/05/19/40/1017051940.db2.gz NDKDDNKHIWITFM-VIFPVBQESA-N -1 0 311.342 -0.040 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001594630902 1017052177 /nfs/dbraw/zinc/05/21/77/1017052177.db2.gz CRLUHPKRRQZJRR-XKNYDFJKSA-N -1 0 300.311 -0.131 20 0 DBADRM C[C@@H]1NC(=O)CC[C@@H]1c1nnc(N2CCO[C@H](C(=O)[O-])C2)n1C ZINC001594630840 1017052253 /nfs/dbraw/zinc/05/22/53/1017052253.db2.gz WULOFDPSDDLGIE-GUBZILKMSA-N -1 0 323.353 -0.513 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)cc2CN1 ZINC001594625656 1017052314 /nfs/dbraw/zinc/05/23/14/1017052314.db2.gz IUXZZERVNXTXMX-MWLCHTKSSA-N -1 0 308.338 -0.310 20 0 DBADRM C[C@@H]1CSCCN1C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001594613620 1017052403 /nfs/dbraw/zinc/05/24/03/1017052403.db2.gz PKDJWXSOIXAMMA-BBBLOLIVSA-N -1 0 316.379 -0.756 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001594626944 1017053073 /nfs/dbraw/zinc/05/30/73/1017053073.db2.gz QJIRTLZLARZSRZ-DJLDLDEBSA-N -1 0 324.341 -0.717 20 0 DBADRM CCN(C)C(=O)CN1CC([C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001441152473 1006489765 /nfs/dbraw/zinc/48/97/65/1006489765.db2.gz FUTBPLPKMDQOFG-SECBINFHSA-N -1 0 323.397 -0.048 20 0 DBADRM CCN(CCNC(=O)C1(C)CC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001429595187 1006492023 /nfs/dbraw/zinc/49/20/23/1006492023.db2.gz GEHXIWADSIVTDB-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM CCCC(=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001429609070 1006496873 /nfs/dbraw/zinc/49/68/73/1006496873.db2.gz PYIJMLMHPGSSSW-MRVPVSSYSA-N -1 0 309.326 -0.244 20 0 DBADRM CC[C@H](F)C(=O)N(CC)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429656616 1006512510 /nfs/dbraw/zinc/51/25/10/1006512510.db2.gz YEYZQBZEBMHISB-ZETCQYMHSA-N -1 0 315.305 -0.391 20 0 DBADRM CCC(=O)N1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001594700349 1017059092 /nfs/dbraw/zinc/05/90/92/1017059092.db2.gz ULNBQKOXQKVGGK-ZETCQYMHSA-N -1 0 316.339 -0.603 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC ZINC001594749170 1017063507 /nfs/dbraw/zinc/06/35/07/1017063507.db2.gz PJBARJRLYJKSCH-UWVGGRQHSA-N -1 0 316.354 -0.083 20 0 DBADRM CCC(=O)NCC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001594707806 1017060966 /nfs/dbraw/zinc/06/09/66/1017060966.db2.gz LNIVUHVKQRRVEW-NXEZZACHSA-N -1 0 313.354 -0.850 20 0 DBADRM CCC(=O)NCC(=O)N(C)[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001594708394 1017061278 /nfs/dbraw/zinc/06/12/78/1017061278.db2.gz UZQPISVPTZPGKG-VIFPVBQESA-N -1 0 323.353 -0.040 20 0 DBADRM CCC(=O)N1CCCC[C@H]1C(=O)OCC(=O)NCCC(=O)[O-] ZINC001594700769 1017061299 /nfs/dbraw/zinc/06/12/99/1017061299.db2.gz OGGHIKBTVQYXMB-JTQLQIEISA-N -1 0 314.338 -0.088 20 0 DBADRM CCC(=O)N1CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001594700850 1017061598 /nfs/dbraw/zinc/06/15/98/1017061598.db2.gz SEFFQIQGIZQJOH-UHFFFAOYSA-N -1 0 310.314 -0.802 20 0 DBADRM CCCC(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001429808782 1006570332 /nfs/dbraw/zinc/57/03/32/1006570332.db2.gz ALUUNESAODGOIN-SECBINFHSA-N -1 0 308.338 -0.383 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1O ZINC001594867148 1017068030 /nfs/dbraw/zinc/06/80/30/1017068030.db2.gz XBAZRXGLIQENHF-FBIMIBRVSA-N -1 0 308.338 -0.113 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1nc2cnccn2c1=O)C(=O)[O-] ZINC001594908121 1017068653 /nfs/dbraw/zinc/06/86/53/1017068653.db2.gz CJPXMRPTXPSVDI-KWQFWETISA-N -1 0 307.310 -0.494 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@@H](CNS(=O)(=O)NC1CC1)O2 ZINC001594908035 1017069038 /nfs/dbraw/zinc/06/90/38/1017069038.db2.gz XTLXVDFZENGYNI-BSTRBVHOSA-N -1 0 304.368 -0.015 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)CS(C)(=O)=O)C(=O)[O-] ZINC001594895043 1017069445 /nfs/dbraw/zinc/06/94/45/1017069445.db2.gz ALPYCBBTPFKCHR-XCBNKYQSSA-N -1 0 309.340 -0.810 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)CS(C)(=O)=O)C(=O)[O-] ZINC001594895044 1017069898 /nfs/dbraw/zinc/06/98/98/1017069898.db2.gz ALPYCBBTPFKCHR-XVKPBYJWSA-N -1 0 309.340 -0.810 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC001594752763 1017063594 /nfs/dbraw/zinc/06/35/94/1017063594.db2.gz GCTMUYICEMGSGT-NSHDSACASA-N -1 0 313.354 -0.706 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2cc(Cn3cccn3)on2)CCOC1 ZINC001594724149 1017063962 /nfs/dbraw/zinc/06/39/62/1017063962.db2.gz KTNBGDBBECAOQC-ZDUSSCGKSA-N -1 0 306.278 -0.107 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001594756490 1017064456 /nfs/dbraw/zinc/06/44/56/1017064456.db2.gz NCBFHIITPHKQHQ-MRVPVSSYSA-N -1 0 307.310 -0.803 20 0 DBADRM CC[C@H](C(=O)OC)C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001594776285 1017065246 /nfs/dbraw/zinc/06/52/46/1017065246.db2.gz VXTRKMPDRABJCB-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001429916238 1006614518 /nfs/dbraw/zinc/61/45/18/1006614518.db2.gz OTQQHVQDTZUFQX-CBAPKCEASA-N -1 0 321.337 -0.340 20 0 DBADRM CC[C@](C)(NC(=O)c1nc2ncc(CCO)cn2n1)C(=O)[O-] ZINC001594847645 1017065702 /nfs/dbraw/zinc/06/57/02/1017065702.db2.gz IOBSCIHXBUYZAF-ZDUSSCGKSA-N -1 0 307.310 -0.358 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NCc2ncnn2C)c1[O-] ZINC001441511039 1006694563 /nfs/dbraw/zinc/69/45/63/1006694563.db2.gz JFMLDXDHLZQODV-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NCc1ncccn1 ZINC001441551564 1006718114 /nfs/dbraw/zinc/71/81/14/1006718114.db2.gz YVXVRKLVLOZAAU-QMMMGPOBSA-N -1 0 319.325 -0.677 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001441552764 1006718824 /nfs/dbraw/zinc/71/88/24/1006718824.db2.gz ZWKGGXSUAFTDBE-SNVBAGLBSA-N -1 0 323.353 -0.546 20 0 DBADRM O=C(CNC(=O)c1c[n-]n2c1nccc2=O)NCc1ccco1 ZINC001441647681 1006766822 /nfs/dbraw/zinc/76/68/22/1006766822.db2.gz HRJMNXFKFMZHAT-UHFFFAOYSA-N -1 0 315.289 -0.338 20 0 DBADRM Cc1ncoc1CN[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001441679285 1006803948 /nfs/dbraw/zinc/80/39/48/1006803948.db2.gz BKYPFZOYUYQNHV-SECBINFHSA-N -1 0 309.326 -0.399 20 0 DBADRM Cc1ccc(CC(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)o1 ZINC001441695773 1006813532 /nfs/dbraw/zinc/81/35/32/1006813532.db2.gz JXDLJZLARQBMGS-SECBINFHSA-N -1 0 309.326 -0.779 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)ccc1F ZINC001441746124 1006848117 /nfs/dbraw/zinc/84/81/17/1006848117.db2.gz PLKAXQNPSHSRBV-JTQLQIEISA-N -1 0 323.328 -0.162 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)CNC(=O)C2CC2)c1[O-] ZINC001430482413 1006870644 /nfs/dbraw/zinc/87/06/44/1006870644.db2.gz UHNCUJAABJPFPR-SSDOTTSWSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@@H]2COCCO2)c1[O-] ZINC001430483439 1006871102 /nfs/dbraw/zinc/87/11/02/1006871102.db2.gz WZORBBGPYYITKM-APPZFPTMSA-N -1 0 312.326 -0.926 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@H]2COCCO2)c1[O-] ZINC001430483456 1006872034 /nfs/dbraw/zinc/87/20/34/1006872034.db2.gz WZORBBGPYYITKM-VXNVDRBHSA-N -1 0 312.326 -0.926 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)c1ncn(C)n1 ZINC001430569538 1006900947 /nfs/dbraw/zinc/90/09/47/1006900947.db2.gz KCIOHFNZZQCTDT-MRVPVSSYSA-N -1 0 321.341 -0.509 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)O1 ZINC001598116486 1017233497 /nfs/dbraw/zinc/23/34/97/1017233497.db2.gz CMVOLHORDNVRFL-ZDCRXTMVSA-N -1 0 314.338 -0.629 20 0 DBADRM CN(C)C(=O)[C@H]1CCN(c2nnnn2[C@H]2CC=C(C(=O)[O-])C2)C1 ZINC001598119975 1017233580 /nfs/dbraw/zinc/23/35/80/1017233580.db2.gz SDXSEQRLJHWUFJ-QWRGUYRKSA-N -1 0 320.353 -0.067 20 0 DBADRM CN(C(=O)c1cn(C)c(=O)[nH]1)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598096346 1017233824 /nfs/dbraw/zinc/23/38/24/1017233824.db2.gz NWXSTLATVNFAOQ-BDAKNGLRSA-N -1 0 322.321 -0.871 20 0 DBADRM CN1C[C@@H](C(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)CC1=O ZINC001598160161 1017242384 /nfs/dbraw/zinc/24/23/84/1017242384.db2.gz AJJHCGDLRALINJ-ZETCQYMHSA-N -1 0 313.335 -0.544 20 0 DBADRM CN(C)C(=O)CCn1nnnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001598126752 1017235907 /nfs/dbraw/zinc/23/59/07/1017235907.db2.gz WAXWDWQURQCIIA-ZDUSSCGKSA-N -1 0 310.358 -0.158 20 0 DBADRM CN(C)C(=O)CCC[S@@](=O)CCc1cn(CC(=O)[O-])nn1 ZINC001598124452 1017235993 /nfs/dbraw/zinc/23/59/93/1017235993.db2.gz ILPYCSJYWCPXNZ-OAQYLSRUSA-N -1 0 316.383 -0.478 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001598129855 1017236274 /nfs/dbraw/zinc/23/62/74/1017236274.db2.gz BKXYQZOBQGQIQG-UHFFFAOYSA-N -1 0 321.333 -0.752 20 0 DBADRM CN(C)C(=O)N1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001598139557 1017238505 /nfs/dbraw/zinc/23/85/05/1017238505.db2.gz SJUBPVUAVYMSJU-UHFFFAOYSA-N -1 0 321.399 -0.274 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])nn1 ZINC001598134288 1017238944 /nfs/dbraw/zinc/23/89/44/1017238944.db2.gz NDKIFSYPRTYZPR-LURJTMIESA-N -1 0 319.268 -0.796 20 0 DBADRM CN(C)C(=O)c1ccc(NC(=O)N2CC(O)(C(=O)[O-])C2)nc1 ZINC001598156646 1017239149 /nfs/dbraw/zinc/23/91/49/1017239149.db2.gz RLNCVHFUIIMUTG-UHFFFAOYSA-N -1 0 308.294 -0.553 20 0 DBADRM CN(C)C(=O)NCCN(C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001598139960 1017239310 /nfs/dbraw/zinc/23/93/10/1017239310.db2.gz KIFHDYGCRMZBFN-NXEZZACHSA-N -1 0 316.358 -0.611 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1 ZINC001598139105 1017239658 /nfs/dbraw/zinc/23/96/58/1017239658.db2.gz GNNSYCJOIABKER-ZJUUUORDSA-N -1 0 314.342 -0.415 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001598151506 1017239763 /nfs/dbraw/zinc/23/97/63/1017239763.db2.gz PCQCFPUCTWSVAR-LBPRGKRZSA-N -1 0 311.382 -0.138 20 0 DBADRM CN(C)C1(CS(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC001598184294 1017240489 /nfs/dbraw/zinc/24/04/89/1017240489.db2.gz ODLNUZDNHRKQSN-JTQLQIEISA-N -1 0 306.384 -0.414 20 0 DBADRM CN(C)C1(CS(=O)(=O)N2CCSC[C@H]2C(=O)[O-])CC1 ZINC001598184486 1017240837 /nfs/dbraw/zinc/24/08/37/1017240837.db2.gz UXSLYTZUDDGAET-VIFPVBQESA-N -1 0 308.425 -0.088 20 0 DBADRM CN(C)C1(CS(=O)(=O)N2CCN(CCC(=O)[O-])CC2)CC1 ZINC001598184079 1017241106 /nfs/dbraw/zinc/24/11/06/1017241106.db2.gz FRIWNQOMNAUGST-UHFFFAOYSA-N -1 0 319.427 -0.497 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)Cc2ccc[nH]2)C1 ZINC001597998319 1017226040 /nfs/dbraw/zinc/22/60/40/1017226040.db2.gz KTFWVJIQDWRPEL-VXGBXAGGSA-N -1 0 305.334 -0.053 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001597998515 1017226142 /nfs/dbraw/zinc/22/61/42/1017226142.db2.gz OLQAAOSYUOGWRT-UWVGGRQHSA-N -1 0 321.337 -0.412 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CCN(Cc2nncn2C)CC1 ZINC001597997930 1017226457 /nfs/dbraw/zinc/22/64/57/1017226457.db2.gz CNXJSVQIKKIWQB-RYUDHWBXSA-N -1 0 321.381 -0.041 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(CCNC(=O)C2CC2)C1 ZINC001597998116 1017226987 /nfs/dbraw/zinc/22/69/87/1017226987.db2.gz HAUOJWGTKBFHLW-RYUDHWBXSA-N -1 0 309.366 -0.624 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cnccn2)C1 ZINC001597998266 1017227144 /nfs/dbraw/zinc/22/71/44/1017227144.db2.gz JXGFXHYSYNYQAW-UWVGGRQHSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(CCNC(=O)C2CC2)C1 ZINC001597998115 1017227258 /nfs/dbraw/zinc/22/72/58/1017227258.db2.gz HAUOJWGTKBFHLW-NWDGAFQWSA-N -1 0 309.366 -0.624 20 0 DBADRM CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@H](C(=O)[O-])c1ccccc1 ZINC001598034350 1017228316 /nfs/dbraw/zinc/22/83/16/1017228316.db2.gz KVGOEQGVXJJKIG-ONGXEEELSA-N -1 0 305.290 -0.131 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(CCCS(C)(=O)=O)C1 ZINC001597998874 1017229254 /nfs/dbraw/zinc/22/92/54/1017229254.db2.gz WQQDMIFYSITKOG-QWRGUYRKSA-N -1 0 318.395 -0.716 20 0 DBADRM CN(C(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1)C1CC1 ZINC001598023158 1017229509 /nfs/dbraw/zinc/22/95/09/1017229509.db2.gz SEZIIFXKZWFDCD-RYUDHWBXSA-N -1 0 309.366 -0.528 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(CC(=O)NC(C)(C)C)C1 ZINC001597999013 1017229523 /nfs/dbraw/zinc/22/95/23/1017229523.db2.gz ZNHHFJNSZUPKRM-MNOVXSKESA-N -1 0 311.382 -0.236 20 0 DBADRM CN(C(=O)CN1CCOCC1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598023478 1017229684 /nfs/dbraw/zinc/22/96/84/1017229684.db2.gz VBYQZLGAXDFEKT-LBPRGKRZSA-N -1 0 300.355 -0.201 20 0 DBADRM CN(C)C1(CS(=O)(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CC1 ZINC001598184480 1017242086 /nfs/dbraw/zinc/24/20/86/1017242086.db2.gz UWAJLKYLIVMSKU-VIFPVBQESA-N -1 0 322.383 -0.784 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cncnc2)C1 ZINC001597998993 1017229776 /nfs/dbraw/zinc/22/97/76/1017229776.db2.gz ZBTISVAFINVAHE-MNOVXSKESA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)C[C@H]1CC(=O)NC1=O)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598008608 1017229826 /nfs/dbraw/zinc/22/98/26/1017229826.db2.gz YBHACUXNRCOOGC-SCZZXKLOSA-N -1 0 312.322 -0.480 20 0 DBADRM CN(C)[C@@H](C(=O)N1CCC(O)(C(=O)[O-])CC1)c1cncn1C ZINC001598163614 1017242132 /nfs/dbraw/zinc/24/21/32/1017242132.db2.gz UZCWUJYTFILWFB-LLVKDONJSA-N -1 0 310.354 -0.539 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001598072575 1017232165 /nfs/dbraw/zinc/23/21/65/1017232165.db2.gz MOSSKXRGCYQGIX-KXUCPTDWSA-N -1 0 304.368 -0.411 20 0 DBADRM CN(C(=O)c1cnn(C)c1)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598098072 1017232879 /nfs/dbraw/zinc/23/28/79/1017232879.db2.gz LTBMHVCFWKKCMK-QWRGUYRKSA-N -1 0 306.322 -0.576 20 0 DBADRM CN(C)C(=O)[C@H]1CCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC001598118920 1017232953 /nfs/dbraw/zinc/23/29/53/1017232953.db2.gz LMKCWOQXLBWNFI-VIFPVBQESA-N -1 0 307.372 -0.952 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CC2(CC2)C1 ZINC001430696453 1006999345 /nfs/dbraw/zinc/99/93/45/1006999345.db2.gz LTKQRFANDOQXBD-QMMMGPOBSA-N -1 0 323.353 -0.500 20 0 DBADRM CCC(=O)NC[C@H]1CCCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001430926837 1007069919 /nfs/dbraw/zinc/06/99/19/1007069919.db2.gz DGHRYJCUXTVEEO-SECBINFHSA-N -1 0 323.353 -0.267 20 0 DBADRM C[C@@H](CNC(=O)CCCF)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001431052449 1007162331 /nfs/dbraw/zinc/16/23/31/1007162331.db2.gz JQNNDJILFVCDEM-QMMMGPOBSA-N -1 0 317.321 -0.693 20 0 DBADRM CC[C@@H](F)C(=O)NCC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431068860 1007173658 /nfs/dbraw/zinc/17/36/58/1007173658.db2.gz MHAGRPYDTLCVEQ-RNFRBKRXSA-N -1 0 315.305 -0.345 20 0 DBADRM C[C@H](CCNC(=O)[C@@H]1CC12CC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431109245 1007187812 /nfs/dbraw/zinc/18/78/12/1007187812.db2.gz WGKIFEXREOLKHO-SFYZADRCSA-N -1 0 321.337 -0.293 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001442082980 1007196534 /nfs/dbraw/zinc/19/65/34/1007196534.db2.gz YTFKULDTTVQLME-UEKVPHQBSA-N -1 0 323.397 -0.048 20 0 DBADRM CCOC(=O)CCN(CC1CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001442129834 1007249659 /nfs/dbraw/zinc/24/96/59/1007249659.db2.gz BBTJRJQKOAGOGS-UHFFFAOYSA-N -1 0 312.326 -0.119 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)C[C@@H]2COC(=O)C2)c1[O-] ZINC001431197321 1007262898 /nfs/dbraw/zinc/26/28/98/1007262898.db2.gz UFJKEYVAIUFSRC-VIFPVBQESA-N -1 0 324.337 -0.435 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@]23C[C@H]2COC3)c1[O-] ZINC001431294618 1007330658 /nfs/dbraw/zinc/33/06/58/1007330658.db2.gz MPONJYSWFVPNLH-XPTSAGLGSA-N -1 0 308.338 -0.352 20 0 DBADRM CO[C@@H](C)CC(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001442373284 1007381180 /nfs/dbraw/zinc/38/11/80/1007381180.db2.gz DVRZQGWRERPACM-NSHDSACASA-N -1 0 321.381 -0.004 20 0 DBADRM CSCCC(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431398393 1007394548 /nfs/dbraw/zinc/39/45/48/1007394548.db2.gz VWRNSAOOMWBURC-UHFFFAOYSA-N -1 0 315.355 -0.776 20 0 DBADRM CCC1(C(=O)N(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001431411493 1007401022 /nfs/dbraw/zinc/40/10/22/1007401022.db2.gz KLFSVPZSPVTGED-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CC(=O)NCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001442421054 1007423903 /nfs/dbraw/zinc/42/39/03/1007423903.db2.gz RZPTWIONRZDQFE-RNFRBKRXSA-N -1 0 311.342 -0.817 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2ncn(C)n2)c1[O-] ZINC001442484633 1007489890 /nfs/dbraw/zinc/48/98/90/1007489890.db2.gz BPVHGRWNRURZPY-BQBZGAKWSA-N -1 0 321.341 -0.511 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)c2cccn2C)c1[O-] ZINC001431490588 1007499917 /nfs/dbraw/zinc/49/99/17/1007499917.db2.gz INVKHLXUMPFGHK-VIFPVBQESA-N -1 0 321.337 -0.717 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC23CC3)c1[O-] ZINC001431511417 1007554353 /nfs/dbraw/zinc/55/43/53/1007554353.db2.gz IWADBFPFQWSEAX-DTWKUNHWSA-N -1 0 308.338 -0.569 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)C2(CF)CC2)c1[O-] ZINC001431513777 1007559748 /nfs/dbraw/zinc/55/97/48/1007559748.db2.gz OCXKGHBOBIVYNO-QMMMGPOBSA-N -1 0 314.317 -0.620 20 0 DBADRM CCN(CCNC(=O)[C@H](C)n1cccn1)Cc1n[nH]c(=O)[n-]1 ZINC001442638327 1007592612 /nfs/dbraw/zinc/59/26/12/1007592612.db2.gz OAJKROOOSQDZBB-JTQLQIEISA-N -1 0 307.358 -0.094 20 0 DBADRM CCN(CCNC(=O)c1cnnn1CC)Cc1n[nH]c(=O)[n-]1 ZINC001442668418 1007606523 /nfs/dbraw/zinc/60/65/23/1007606523.db2.gz ZTLFSGLBSITJJW-UHFFFAOYSA-N -1 0 308.346 -0.626 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)CNC(=O)C2CC2)c1[O-] ZINC001431614051 1007638309 /nfs/dbraw/zinc/63/83/09/1007638309.db2.gz NKPAVPAYHDXEQD-SSDOTTSWSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNC(=O)c2cn(C)nn2)c1[O-] ZINC001442742657 1007641742 /nfs/dbraw/zinc/64/17/42/1007641742.db2.gz QZOGCVJUZTXUFG-ZETCQYMHSA-N -1 0 321.341 -0.557 20 0 DBADRM O=C(C[C@@H]1CCC(=O)N1)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001442826845 1007674004 /nfs/dbraw/zinc/67/40/04/1007674004.db2.gz YOZWSLWRIHGVEG-VHSXEESVSA-N -1 0 322.369 -0.740 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598282457 1017255070 /nfs/dbraw/zinc/25/50/70/1017255070.db2.gz KXYPCNSLBYOMAG-PUERIAAYSA-N -1 0 313.401 -0.399 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)Cn1cc(C(=O)[O-])ccc1=O ZINC001598282197 1017255173 /nfs/dbraw/zinc/25/51/73/1017255173.db2.gz HFOVLDPMFCYHSY-HXUWFJFHSA-N -1 0 301.324 -0.353 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H](C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001442895141 1007705931 /nfs/dbraw/zinc/70/59/31/1007705931.db2.gz PKQLGZHGRRHBDB-JGVFFNPUSA-N -1 0 317.321 -0.600 20 0 DBADRM Cc1cncn1CC(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001431801433 1007715956 /nfs/dbraw/zinc/71/59/56/1007715956.db2.gz RVVKHYIBNBEWGD-QMMMGPOBSA-N -1 0 320.353 -0.137 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)OCc1oncc1C(=O)[O-] ZINC001598265210 1017251731 /nfs/dbraw/zinc/25/17/31/1017251731.db2.gz KQXVAQBWYQKRIB-UHFFFAOYSA-N -1 0 321.311 -0.846 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H]2C(=O)[O-])c1 ZINC001598266495 1017251962 /nfs/dbraw/zinc/25/19/62/1017251962.db2.gz CTZXUHVSVAYYQE-SECBINFHSA-N -1 0 301.324 -0.436 20 0 DBADRM CCCN(CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)Cc1n[nH]c(=O)[n-]1 ZINC001442958777 1007731545 /nfs/dbraw/zinc/73/15/45/1007731545.db2.gz DREWRHPFSBSLAS-UWVGGRQHSA-N -1 0 324.385 -0.650 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001598261765 1017252099 /nfs/dbraw/zinc/25/20/99/1017252099.db2.gz HCSJKDZEKHBWQA-SNVBAGLBSA-N -1 0 321.399 -0.658 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001598267270 1017252212 /nfs/dbraw/zinc/25/22/12/1017252212.db2.gz NMPIBBQSQDAILY-CABZTGNLSA-N -1 0 319.383 -0.904 20 0 DBADRM CN(C)S(=O)(=O)CCc1cn(CC2(CC(=O)[O-])CC2)nn1 ZINC001598261998 1017252459 /nfs/dbraw/zinc/25/24/59/1017252459.db2.gz KISXKYDBTAOIHI-UHFFFAOYSA-N -1 0 316.383 -0.033 20 0 DBADRM CN(C)S(=O)(=O)N1CC(Nc2nccc(C(=O)[O-])n2)C1 ZINC001598265599 1017252817 /nfs/dbraw/zinc/25/28/17/1017252817.db2.gz WKDOSPXQEQSYNX-UHFFFAOYSA-N -1 0 301.328 -0.923 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])cn1 ZINC001598330214 1017254771 /nfs/dbraw/zinc/25/47/71/1017254771.db2.gz NDXCNVJGGRZJCV-MRVPVSSYSA-N -1 0 303.340 -0.739 20 0 DBADRM CC(=O)N[C@H]1C[C@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001443449160 1007848914 /nfs/dbraw/zinc/84/89/14/1007848914.db2.gz UADLWVXDFTWNEG-KYZUINATSA-N -1 0 309.326 -0.754 20 0 DBADRM C[C@H](C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1)C1CC1 ZINC001432249964 1007867153 /nfs/dbraw/zinc/86/71/53/1007867153.db2.gz IGRGYRSVNKEDRX-ZETCQYMHSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001432265122 1007872643 /nfs/dbraw/zinc/87/26/43/1007872643.db2.gz FCLLAADFEQFSHE-YUMQZZPRSA-N -1 0 309.326 -0.890 20 0 DBADRM CC(C)CCC(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001432306375 1007885897 /nfs/dbraw/zinc/88/58/97/1007885897.db2.gz PRDKCTYDRXLNPE-UHFFFAOYSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(CCCF)NC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001432316916 1007888557 /nfs/dbraw/zinc/88/85/57/1007888557.db2.gz YDAZQQJXBISNKJ-UHFFFAOYSA-N -1 0 321.312 -0.287 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001594897936 1017070670 /nfs/dbraw/zinc/07/06/70/1017070670.db2.gz TVNIUHJJDWCCOH-NRPADANISA-N -1 0 323.367 -0.422 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)[C@@H]1COC(=O)N1)C(=O)[O-] ZINC001594904711 1017070772 /nfs/dbraw/zinc/07/07/72/1017070772.db2.gz NCTYPZPPLXOVKC-BKPPORCPSA-N -1 0 302.283 -0.747 20 0 DBADRM CC[C@H](F)CN1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001443635926 1007892181 /nfs/dbraw/zinc/89/21/81/1007892181.db2.gz PKHWZBATWUGNGR-VIFPVBQESA-N -1 0 301.322 -0.515 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1C[C@H](O)C[C@@H]1COC)C(=O)[O-] ZINC001594894453 1017071124 /nfs/dbraw/zinc/07/11/24/1017071124.db2.gz SASYWVSFMVORID-UZWSLXQKSA-N -1 0 302.371 -0.317 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)C1(CO)COC1)C(=O)[O-] ZINC001594897408 1017071198 /nfs/dbraw/zinc/07/11/98/1017071198.db2.gz ONVOHPOMZOBUAD-WCBMZHEXSA-N -1 0 303.311 -0.846 20 0 DBADRM CC[C@H](C)C[C@@H](NC(=O)c1cnn(C[C@H](O)CO)c1)C(=O)[O-] ZINC001594950235 1017071885 /nfs/dbraw/zinc/07/18/85/1017071885.db2.gz VXKAUZVUTURSTO-ZMLRMANQSA-N -1 0 313.354 -0.145 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCCn1ccnc1 ZINC001594959823 1017072012 /nfs/dbraw/zinc/07/20/12/1017072012.db2.gz HAWAYZBLDAYNNR-SNVBAGLBSA-N -1 0 315.351 -0.627 20 0 DBADRM CCC(=O)N(C)C[C@@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001443694385 1007902238 /nfs/dbraw/zinc/90/22/38/1007902238.db2.gz IHZPUEPWBJZTRK-SECBINFHSA-N -1 0 313.358 -0.157 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC001594974675 1017073091 /nfs/dbraw/zinc/07/30/91/1017073091.db2.gz KXCKUOPJYHNCPV-GHMZBOCLSA-N -1 0 320.411 -0.183 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCN(Cn2cnc(C(=O)[O-])n2)CC1 ZINC001594989368 1017074040 /nfs/dbraw/zinc/07/40/40/1017074040.db2.gz KXUQOZMUOKYMPJ-NSHDSACASA-N -1 0 324.385 -0.534 20 0 DBADRM O=C([O-])CN1CC[C@@H](n2cc(CSCCO)nn2)C1=O ZINC001595082058 1017074156 /nfs/dbraw/zinc/07/41/56/1017074156.db2.gz NIUUUQNDDCLKQJ-SECBINFHSA-N -1 0 300.340 -0.638 20 0 DBADRM CC[C@@H](C)NC(=O)CN1CCN(Cn2cnc(C(=O)[O-])n2)CC1 ZINC001594989367 1017074481 /nfs/dbraw/zinc/07/44/81/1017074481.db2.gz KXUQOZMUOKYMPJ-LLVKDONJSA-N -1 0 324.385 -0.534 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)Cn2cccn2)c1[O-] ZINC001443756330 1007919508 /nfs/dbraw/zinc/91/95/08/1007919508.db2.gz HOENALWUYQSMHI-SECBINFHSA-N -1 0 320.353 -0.103 20 0 DBADRM CC[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001595131384 1017076304 /nfs/dbraw/zinc/07/63/04/1017076304.db2.gz SDPIOAVXXPHXKX-SDDRHHMPSA-N -1 0 300.355 -0.154 20 0 DBADRM CC[C@@H](CNC(=O)Cn1cncn1)Nc1ccnc(C(=O)[O-])n1 ZINC001595145597 1017076355 /nfs/dbraw/zinc/07/63/55/1017076355.db2.gz PDJJFLPSSAFRET-VIFPVBQESA-N -1 0 319.325 -0.805 20 0 DBADRM CCCCC(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001432429345 1007934078 /nfs/dbraw/zinc/93/40/78/1007934078.db2.gz ITSUGGBZLHIOQA-UHFFFAOYSA-N -1 0 309.326 -0.244 20 0 DBADRM O=C([O-])Cn1cc(C(=O)Nc2ccc3c(c2)C(=O)NCC3)nn1 ZINC001595145266 1017076512 /nfs/dbraw/zinc/07/65/12/1017076512.db2.gz ZOXCIJBQZBBOLD-UHFFFAOYSA-N -1 0 315.289 -0.099 20 0 DBADRM CN(C(=O)CCn1cncn1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001443801775 1007935453 /nfs/dbraw/zinc/93/54/53/1007935453.db2.gz FBWQSPGBIUVALT-SNVBAGLBSA-N -1 0 320.357 -0.775 20 0 DBADRM CC[C@@H](CO)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001595174695 1017078437 /nfs/dbraw/zinc/07/84/37/1017078437.db2.gz UHZDIBUVJNRHFG-JOYOIKCWSA-N -1 0 322.317 -0.248 20 0 DBADRM CC[C@@](COC)(NC(=O)C[C@@H]1CCCS1(=O)=O)C(=O)[O-] ZINC001595188485 1017078715 /nfs/dbraw/zinc/07/87/15/1017078715.db2.gz PLXGUQKRPMTOAV-CABZTGNLSA-N -1 0 307.368 -0.050 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)CCCC(=O)[O-] ZINC001595172614 1017078727 /nfs/dbraw/zinc/07/87/27/1017078727.db2.gz JIQDPFDPAQCTNG-MRVPVSSYSA-N -1 0 316.401 -0.902 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)c1cc(C(=O)[O-])ccn1 ZINC001595172391 1017078807 /nfs/dbraw/zinc/07/88/07/1017078807.db2.gz BRKUKHHBFOMLAE-VIFPVBQESA-N -1 0 315.351 -0.163 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001595171211 1017078933 /nfs/dbraw/zinc/07/89/33/1017078933.db2.gz DIIUBOAQRZYLAB-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001595171458 1017078961 /nfs/dbraw/zinc/07/89/61/1017078961.db2.gz JKRNRUNRXQRGMX-OPRDCNLKSA-N -1 0 321.399 -0.324 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001595187467 1017079113 /nfs/dbraw/zinc/07/91/13/1017079113.db2.gz MNZYUDQNBBAXOV-CABZTGNLSA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@]1(NC(=O)CC2CC2)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001432515138 1007959812 /nfs/dbraw/zinc/95/98/12/1007959812.db2.gz PLEGOSWOYRSMDA-AWEZNQCLSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1CC12CC2 ZINC001443953464 1007973574 /nfs/dbraw/zinc/97/35/74/1007973574.db2.gz KONDRFUQTIXADO-DTWKUNHWSA-N -1 0 323.353 -0.548 20 0 DBADRM CC[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001432666965 1007990535 /nfs/dbraw/zinc/99/05/35/1007990535.db2.gz PULBIWCTAKCVPG-QMMMGPOBSA-N -1 0 321.341 -0.509 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001432769256 1008009480 /nfs/dbraw/zinc/00/94/80/1008009480.db2.gz KUNQZBRGRMAFCL-RNJXMRFFSA-N -1 0 309.326 -0.437 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001432769254 1008010223 /nfs/dbraw/zinc/01/02/23/1008010223.db2.gz KUNQZBRGRMAFCL-FXQIFTODSA-N -1 0 309.326 -0.437 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC2(F)F)c1[O-] ZINC001444147987 1008049048 /nfs/dbraw/zinc/04/90/48/1008049048.db2.gz ONRAILZNIHIANJ-RQJHMYQMSA-N -1 0 318.280 -0.714 20 0 DBADRM CC(=O)NC[C@H]1CCC[C@H]1NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001433229171 1008100992 /nfs/dbraw/zinc/10/09/92/1008100992.db2.gz VRDWOQXBDBDFGH-NXEZZACHSA-N -1 0 323.353 -0.364 20 0 DBADRM CC(=O)NC[C@H]1CCC[C@@H]1NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001433229174 1008101374 /nfs/dbraw/zinc/10/13/74/1008101374.db2.gz VRDWOQXBDBDFGH-ZJUUUORDSA-N -1 0 323.353 -0.364 20 0 DBADRM CN(C(=O)CCc1nnn[n-]1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC001444662849 1008214889 /nfs/dbraw/zinc/21/48/89/1008214889.db2.gz KTIBUGUXFYOYRM-ZJUUUORDSA-N -1 0 315.399 -0.054 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](NCc2nnnn2C)C(C)C)c1[O-] ZINC001444860302 1008252714 /nfs/dbraw/zinc/25/27/14/1008252714.db2.gz OQUDWJDJEYARJI-SECBINFHSA-N -1 0 322.373 -0.509 20 0 DBADRM CCC[C@@H](NC(=O)C1CCS(=O)(=O)CC1)c1nnn[n-]1 ZINC001445345081 1008363063 /nfs/dbraw/zinc/36/30/63/1008363063.db2.gz ITGSVGDCKIFTOC-SECBINFHSA-N -1 0 301.372 -0.018 20 0 DBADRM COCc1noc(CNC[C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001445356068 1008364856 /nfs/dbraw/zinc/36/48/56/1008364856.db2.gz VBTVGUAPWUDFKP-SSDOTTSWSA-N -1 0 324.341 -0.139 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)s1 ZINC001445417780 1008373582 /nfs/dbraw/zinc/37/35/82/1008373582.db2.gz UZPBSDBCQBVKAF-UHFFFAOYSA-N -1 0 302.337 -0.095 20 0 DBADRM Cc1cccc(OC[C@@H](O)CNC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001445536690 1008393877 /nfs/dbraw/zinc/39/38/77/1008393877.db2.gz PTUHXUXUHASXDJ-JTQLQIEISA-N -1 0 322.321 -0.446 20 0 DBADRM Cc1cc(CC(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001445688493 1008421795 /nfs/dbraw/zinc/42/17/95/1008421795.db2.gz OSRAAKBFZKSNJD-MRVPVSSYSA-N -1 0 308.342 -0.014 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1ncccc1O ZINC001445713300 1008424698 /nfs/dbraw/zinc/42/46/98/1008424698.db2.gz QOINOBLCVVEKMO-MRVPVSSYSA-N -1 0 306.326 -0.139 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001445770692 1008433238 /nfs/dbraw/zinc/43/32/38/1008433238.db2.gz ZVLINWBIUKLMJQ-UWVGGRQHSA-N -1 0 324.385 -0.637 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@@H](O)COCC1CC1 ZINC001445794310 1008436214 /nfs/dbraw/zinc/43/62/14/1008436214.db2.gz FGIBSRUVANNSCW-SNVBAGLBSA-N -1 0 314.342 -0.627 20 0 DBADRM CCCC(=O)NC[C@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001445856513 1008440731 /nfs/dbraw/zinc/44/07/31/1008440731.db2.gz ZFYUBHMGPNFRKO-AOOOYVTPSA-N -1 0 322.365 -0.089 20 0 DBADRM COC(=O)[C@H](COC(C)C)N(C)C(=O)CCCc1nnn[n-]1 ZINC001446085338 1008472124 /nfs/dbraw/zinc/47/21/24/1008472124.db2.gz HUJWSIQDMGTNFM-JTQLQIEISA-N -1 0 313.358 -0.053 20 0 DBADRM Cn1c(=O)cccc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001446249278 1008495130 /nfs/dbraw/zinc/49/51/30/1008495130.db2.gz KGAYNJZWWMSGRR-UHFFFAOYSA-N -1 0 318.337 -0.739 20 0 DBADRM C[C@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)S(C)(=O)=O ZINC001446348603 1008503836 /nfs/dbraw/zinc/50/38/36/1008503836.db2.gz MGYWOBFJPLBDMJ-SSDOTTSWSA-N -1 0 306.344 -0.981 20 0 DBADRM CC(C)(C)c1cc(C(=O)[N-]N2CC(=O)NC2=O)nc2ncnn21 ZINC001457528394 1008532926 /nfs/dbraw/zinc/53/29/26/1008532926.db2.gz OSAUXPGZKMCMSO-UHFFFAOYSA-N -1 0 317.309 -0.382 20 0 DBADRM CC(C)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC1 ZINC001457656883 1008565610 /nfs/dbraw/zinc/56/56/10/1008565610.db2.gz WISYZKSBUPKFJK-MRVPVSSYSA-N -1 0 309.326 -0.437 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2c[n-]ncc2=O)[C@@H](C(=O)OC)C1 ZINC001446641378 1008634676 /nfs/dbraw/zinc/63/46/76/1008634676.db2.gz IEROZEWYMCOVOR-PSASIEDQSA-N -1 0 323.305 -0.251 20 0 DBADRM CC[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H](O)C(F)F ZINC001457862234 1008660440 /nfs/dbraw/zinc/66/04/40/1008660440.db2.gz VBKFJBXHPXBILX-CBAPKCEASA-N -1 0 315.280 -0.408 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)c1ccc(S(C)(=O)=O)nc1 ZINC001457873154 1008673532 /nfs/dbraw/zinc/67/35/32/1008673532.db2.gz XOGJKNAGAGULPI-UHFFFAOYSA-N -1 0 312.307 -0.154 20 0 DBADRM COC(=O)NCC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cn[nH]n1 ZINC001457884480 1008688480 /nfs/dbraw/zinc/68/84/80/1008688480.db2.gz PZTHJOPKGSEQSR-BDAKNGLRSA-N -1 0 324.341 -0.825 20 0 DBADRM CCC(CC)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001446739027 1008732107 /nfs/dbraw/zinc/73/21/07/1008732107.db2.gz RYUXDHDEGDTZII-CQSZACIVSA-N -1 0 311.386 -0.001 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC001446762843 1008767876 /nfs/dbraw/zinc/76/78/76/1008767876.db2.gz JGQGCINIIPJEDD-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM CC(C)[C@H](F)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001446778101 1008790141 /nfs/dbraw/zinc/79/01/41/1008790141.db2.gz XKEDTLWDCUBHHG-GXFFZTMASA-N -1 0 315.349 -0.443 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1nccs1 ZINC001446811086 1008808166 /nfs/dbraw/zinc/80/81/66/1008808166.db2.gz SKNLUZDELCODQL-GFCCVEGCSA-N -1 0 324.366 -0.666 20 0 DBADRM C[C@H](CNC(=O)[C@@H](C)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001458245654 1008824334 /nfs/dbraw/zinc/82/43/34/1008824334.db2.gz GVMMMQBKJYROJP-RQJHMYQMSA-N -1 0 309.326 -0.437 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCC12CC2 ZINC001446854944 1008827215 /nfs/dbraw/zinc/82/72/15/1008827215.db2.gz MNLBXZZOKVPBMM-SNVBAGLBSA-N -1 0 321.381 -0.247 20 0 DBADRM CCc1nn(C)c(OC)c1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001446904588 1008844261 /nfs/dbraw/zinc/84/42/61/1008844261.db2.gz JXHABSOFYOVZIG-UHFFFAOYSA-N -1 0 310.314 -0.690 20 0 DBADRM CC1(C(=O)N2CC[C@@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001458764774 1008874813 /nfs/dbraw/zinc/87/48/13/1008874813.db2.gz BHMLXQYWIICOHO-MRVPVSSYSA-N -1 0 309.326 -0.794 20 0 DBADRM CC(C)(F)C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001458846008 1008886815 /nfs/dbraw/zinc/88/68/15/1008886815.db2.gz BZJBSDFXERHXOV-UHFFFAOYSA-N -1 0 313.289 -0.591 20 0 DBADRM CC(F)(F)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001447100120 1008896193 /nfs/dbraw/zinc/89/61/93/1008896193.db2.gz HKFXYUPFMDOYKL-ZETCQYMHSA-N -1 0 305.285 -0.518 20 0 DBADRM O=C(Cc1ccc(F)cn1)NCC1(NC(=O)c2cn[nH]n2)CC1 ZINC001458999386 1008913793 /nfs/dbraw/zinc/91/37/93/1008913793.db2.gz MRINSZSDHGKGPH-UHFFFAOYSA-N -1 0 318.312 -0.040 20 0 DBADRM CCCC(=O)N[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001447195914 1008948418 /nfs/dbraw/zinc/94/84/18/1008948418.db2.gz OYBGFCCLCQDGKZ-MRVPVSSYSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(C)CC(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001459169301 1008963416 /nfs/dbraw/zinc/96/34/16/1008963416.db2.gz ISLFOJJMTUASSY-UHFFFAOYSA-N -1 0 309.326 -0.388 20 0 DBADRM CCC(=O)NC[C@@]1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001459526065 1009035935 /nfs/dbraw/zinc/03/59/35/1009035935.db2.gz KCXJIHGXSXENGB-CYBMUJFWSA-N -1 0 311.342 -0.546 20 0 DBADRM CCC1(CC)CNC(=O)[C@@H]1NCc1cc(=O)n2[n-]c(N)nc2n1 ZINC001460826520 1009118221 /nfs/dbraw/zinc/11/82/21/1009118221.db2.gz NTAMFOUUOKHISJ-JTQLQIEISA-N -1 0 319.369 -0.606 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(C)(C)N1C(=O)c2ccccc2C1=O ZINC001463162950 1009197547 /nfs/dbraw/zinc/19/75/47/1009197547.db2.gz WEENMWGUXHILFJ-UHFFFAOYSA-N -1 0 319.317 -0.145 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC001463163357 1009197793 /nfs/dbraw/zinc/19/77/93/1009197793.db2.gz ZEJVTEPZVBKXSW-UHFFFAOYSA-N -1 0 318.326 -0.217 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)[C@H]2CCC[C@H]2OC)CCOC1 ZINC001463278427 1009204016 /nfs/dbraw/zinc/20/40/16/1009204016.db2.gz GKYKIWULOJSAEX-SCVCMEIPSA-N -1 0 307.368 -0.195 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1nncc2ccccc21 ZINC001447645189 1009210184 /nfs/dbraw/zinc/21/01/84/1009210184.db2.gz MJHVJSMAURBOLS-UHFFFAOYSA-N -1 0 322.346 -0.175 20 0 DBADRM C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C(=O)OC(C)(C)C ZINC001447643195 1009211831 /nfs/dbraw/zinc/21/18/31/1009211831.db2.gz FCLUSFJRRZRWSJ-MRVPVSSYSA-N -1 0 322.383 -0.454 20 0 DBADRM O=c1nc(CCNS(=O)(=O)c2cnn(C3CCC3)c2)[n-]o1 ZINC001463637517 1009232721 /nfs/dbraw/zinc/23/27/21/1009232721.db2.gz PQHHOSPSFFFONR-UHFFFAOYSA-N -1 0 313.339 -0.195 20 0 DBADRM O=C(NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1)C(F)F ZINC001447698468 1009243317 /nfs/dbraw/zinc/24/33/17/1009243317.db2.gz KEMGTGJMFYUTFM-UHFFFAOYSA-N -1 0 305.285 -0.782 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCN(c2cnccn2)CC1 ZINC001463936262 1009262080 /nfs/dbraw/zinc/26/20/80/1009262080.db2.gz ADOKOHLFZSRPML-UHFFFAOYSA-N -1 0 302.342 -0.339 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001598365123 1017257084 /nfs/dbraw/zinc/25/70/84/1017257084.db2.gz IQYFGFJZJCUVEN-MBTKJCJQSA-N -1 0 319.321 -0.730 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)NCCSCCC(=O)[O-])n1 ZINC001598353026 1017257453 /nfs/dbraw/zinc/25/74/53/1017257453.db2.gz XLBYWDCNBJWQDF-UHFFFAOYSA-N -1 0 314.371 -0.543 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1nncn1-c1ccccc1 ZINC001464098844 1009291175 /nfs/dbraw/zinc/29/11/75/1009291175.db2.gz GPSSEGJNGLWLCX-UHFFFAOYSA-N -1 0 315.293 -0.414 20 0 DBADRM CCON(CC)C(=O)C[N-]S(=O)(=O)N=S(C)(C)=O ZINC001464085164 1009291932 /nfs/dbraw/zinc/29/19/32/1009291932.db2.gz OHKMMXRBPKSAPS-UHFFFAOYSA-N -1 0 301.390 -0.652 20 0 DBADRM CN(C)c1noc(CCC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])n1 ZINC001598365647 1017257841 /nfs/dbraw/zinc/25/78/41/1017257841.db2.gz WUKATCGKNBGPJO-LDYMZIIASA-N -1 0 312.326 -0.495 20 0 DBADRM CN(C)c1ncc(NC(=O)NCCn2cc(C(=O)[O-])nn2)cn1 ZINC001598359698 1017258038 /nfs/dbraw/zinc/25/80/38/1017258038.db2.gz ZMXXWCPMDDDFAA-UHFFFAOYSA-N -1 0 320.313 -0.346 20 0 DBADRM CN(C)c1noc(CNC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001598364290 1017258408 /nfs/dbraw/zinc/25/84/08/1017258408.db2.gz FXXNCDRDCUECJH-RKDXNWHRSA-N -1 0 323.353 -0.405 20 0 DBADRM CN(C)c1ncnc2c1cc(C(=O)N[C@@H](CO)C(=O)[O-])n2C ZINC001598365749 1017258468 /nfs/dbraw/zinc/25/84/68/1017258468.db2.gz ZWRFJDIWHWGTNJ-QMMMGPOBSA-N -1 0 307.310 -0.790 20 0 DBADRM CN(C)c1noc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001598364390 1017258716 /nfs/dbraw/zinc/25/87/16/1017258716.db2.gz GXISCIUTZLMOAV-QCLAVDOMSA-N -1 0 323.353 -0.407 20 0 DBADRM COC(=O)[C@H](CCC1OCCO1)NS(=O)(=O)c1ncc[n-]1 ZINC001464321031 1009305110 /nfs/dbraw/zinc/30/51/10/1009305110.db2.gz AMJKUFFLGUAQKW-QMMMGPOBSA-N -1 0 319.339 -0.617 20 0 DBADRM CCOC(=O)C1CCC(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001464382679 1009309232 /nfs/dbraw/zinc/30/92/32/1009309232.db2.gz WALPIAKHUQAKQB-UHFFFAOYSA-N -1 0 312.326 -0.073 20 0 DBADRM CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598375294 1017260689 /nfs/dbraw/zinc/26/06/89/1017260689.db2.gz SKGJLFBCZUHSMO-QMMMGPOBSA-N -1 0 311.381 -0.700 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)c1cnc(C(=O)[O-])cn1 ZINC001598381076 1017261242 /nfs/dbraw/zinc/26/12/42/1017261242.db2.gz UKZBSDIXLCKGRJ-UHFFFAOYSA-N -1 0 308.294 -0.894 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2C[C@H]2C(=O)OC)on1 ZINC001464496985 1009316894 /nfs/dbraw/zinc/31/68/94/1009316894.db2.gz FBZVXSJWLNFQKD-RNFRBKRXSA-N -1 0 318.307 -0.451 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CC(=O)N(CC(F)(F)F)C1 ZINC001598405385 1017263039 /nfs/dbraw/zinc/26/30/39/1017263039.db2.gz UIDDEURVDGDDEM-UHFFFAOYSA-N -1 0 311.260 -0.417 20 0 DBADRM CN(CC(=O)N[C@H]1CCO[C@H]1C(=O)[O-])c1ncnc2nc[nH]c21 ZINC001598396814 1017263684 /nfs/dbraw/zinc/26/36/84/1017263684.db2.gz QOJBWHIUGPKIJS-OIBJUYFYSA-N -1 0 320.309 -0.853 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCc2cnoc2C)n[nH]1 ZINC001464646394 1009330018 /nfs/dbraw/zinc/33/00/18/1009330018.db2.gz QGYZQSCYLRPFTG-UHFFFAOYSA-N -1 0 300.296 -0.029 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@](C)(O)CN1Cc2ccccc2C1=O ZINC001598403804 1017264971 /nfs/dbraw/zinc/26/49/71/1017264971.db2.gz LYQOKMQWZPSSGD-OAHLLOKOSA-N -1 0 306.318 -0.064 20 0 DBADRM CCOC(=O)CCS(=O)(=O)[N-]CC(F)(F)C(=O)OC ZINC001464727480 1009334498 /nfs/dbraw/zinc/33/44/98/1009334498.db2.gz IXZZZWTUPCWJMW-UHFFFAOYSA-N -1 0 303.283 -0.333 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNS(=O)(=O)c1ccccc1[O-] ZINC001464699470 1009334948 /nfs/dbraw/zinc/33/49/48/1009334948.db2.gz YDNFKYIQFDWRIV-MRVPVSSYSA-N -1 0 309.365 -0.924 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)n1 ZINC001464738354 1009337084 /nfs/dbraw/zinc/33/70/84/1009337084.db2.gz AXJGJZGVHQNICM-VIFPVBQESA-N -1 0 324.366 -0.527 20 0 DBADRM CN(CC(C)(C)CNC(=O)c1nnc[nH]1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598423467 1017266024 /nfs/dbraw/zinc/26/60/24/1017266024.db2.gz DFUPKMREJLSMEI-DTWKUNHWSA-N -1 0 323.353 -0.260 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001464752527 1009338358 /nfs/dbraw/zinc/33/83/58/1009338358.db2.gz XPORGNXRPQRZLI-UHFFFAOYSA-N -1 0 307.310 -0.836 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)CC2 ZINC001464778765 1009340348 /nfs/dbraw/zinc/34/03/48/1009340348.db2.gz MBNVCBWALFNCND-ZETCQYMHSA-N -1 0 309.355 -0.366 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)c2s[n-]c(=O)c2Cl)C1 ZINC001447837111 1009341516 /nfs/dbraw/zinc/34/15/16/1009341516.db2.gz IKIHCHWJXZYJFW-VKHMYHEASA-N -1 0 304.715 -0.138 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC001598408710 1017266486 /nfs/dbraw/zinc/26/64/86/1017266486.db2.gz CFVCNKMRUSHLCK-NEPJUHHUSA-N -1 0 300.355 -0.201 20 0 DBADRM CN(CC(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O)C(=O)C1CC1 ZINC001598417708 1017267120 /nfs/dbraw/zinc/26/71/20/1017267120.db2.gz KLEDSYPWORKQOL-JTQLQIEISA-N -1 0 312.322 -0.526 20 0 DBADRM CN(C[C@@H](O)C(F)(F)F)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001598433125 1017267534 /nfs/dbraw/zinc/26/75/34/1017267534.db2.gz REBWGMSQOIUUSN-RXMQYKEDSA-N -1 0 318.229 -0.084 20 0 DBADRM CN(CC1CC1)C(=O)CN1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598448399 1017269076 /nfs/dbraw/zinc/26/90/76/1017269076.db2.gz PYIUUXQDHRRPTR-OLZOCXBDSA-N -1 0 323.393 -0.377 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCC[C@H](S(C)(=O)=O)C1 ZINC001598405458 1017267766 /nfs/dbraw/zinc/26/77/66/1017267766.db2.gz WPBQAHAVLNRGKF-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)N1CCCC[C@H]1C ZINC001464901539 1009350441 /nfs/dbraw/zinc/35/04/41/1009350441.db2.gz XAYQZTSLXWNLJM-HTQZYQBOSA-N -1 0 309.326 -0.198 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)N1CCCC[C@@H]1C ZINC001464901540 1009351510 /nfs/dbraw/zinc/35/15/10/1009351510.db2.gz XAYQZTSLXWNLJM-JGVFFNPUSA-N -1 0 309.326 -0.198 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)N1CCCC[C@H]1C ZINC001464901541 1009353192 /nfs/dbraw/zinc/35/31/92/1009353192.db2.gz XAYQZTSLXWNLJM-SFYZADRCSA-N -1 0 309.326 -0.198 20 0 DBADRM O=C(c1c[nH]nc1[C@H]1CCCO1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001464886178 1009353516 /nfs/dbraw/zinc/35/35/16/1009353516.db2.gz VDQXEHQYXFJZKP-ZJUUUORDSA-N -1 0 319.325 -0.012 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001465082901 1009361553 /nfs/dbraw/zinc/36/15/53/1009361553.db2.gz FOBRFXBXDKLZOA-QMMMGPOBSA-N -1 0 302.356 -0.422 20 0 DBADRM CC[S@@](=O)CCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001465145219 1009361698 /nfs/dbraw/zinc/36/16/98/1009361698.db2.gz QONVDCAAWUIIHB-JOCHJYFZSA-N -1 0 324.362 -0.235 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)CCc2nnn[n-]2)C1 ZINC001465267705 1009364362 /nfs/dbraw/zinc/36/43/62/1009364362.db2.gz NDOKLAVRGHVHAJ-DTWKUNHWSA-N -1 0 301.372 -0.396 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)CCCc1nnn[n-]1 ZINC001465288374 1009367297 /nfs/dbraw/zinc/36/72/97/1009367297.db2.gz WWYYLKIEHHLDBA-BDAKNGLRSA-N -1 0 301.372 -0.444 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C[C@@H]1O ZINC001466148800 1009405332 /nfs/dbraw/zinc/40/53/32/1009405332.db2.gz MKAJRVJIOXRXMQ-KCJUWKMLSA-N -1 0 304.306 -0.281 20 0 DBADRM NC(=O)CO[N-]C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2 ZINC001466482216 1009426074 /nfs/dbraw/zinc/42/60/74/1009426074.db2.gz QEJLNKMWBZLTHX-UHFFFAOYSA-N -1 0 322.243 -0.492 20 0 DBADRM CNC(=O)N[C@@H]1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC001466739189 1009444325 /nfs/dbraw/zinc/44/43/25/1009444325.db2.gz XBVIWRZBNMCZEM-SSDOTTSWSA-N -1 0 324.303 -0.027 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001466827260 1009449636 /nfs/dbraw/zinc/44/96/36/1009449636.db2.gz KKWKIDGXXDPPQM-PPRQPISWSA-N -1 0 308.367 -0.428 20 0 DBADRM CC(C)c1nnc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)s1 ZINC001466837478 1009450892 /nfs/dbraw/zinc/45/08/92/1009450892.db2.gz IBRINROHLRAXER-UHFFFAOYSA-N -1 0 320.396 -0.143 20 0 DBADRM O=C(C1=C2CCCN=C2NN1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001448013055 1009454809 /nfs/dbraw/zinc/45/48/09/1009454809.db2.gz AYKOTSOFMHIUDH-MRVPVSSYSA-N -1 0 320.382 -0.630 20 0 DBADRM COCCCn1nc(C(=O)[N-]OC[C@@H]2CCOC2)ccc1=O ZINC001466977725 1009462451 /nfs/dbraw/zinc/46/24/51/1009462451.db2.gz BYYQKLLWYHDGPJ-LLVKDONJSA-N -1 0 311.338 -0.022 20 0 DBADRM COC[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@@H](C)O1 ZINC001466970970 1009465305 /nfs/dbraw/zinc/46/53/05/1009465305.db2.gz ZQAABPLWXOZOOV-ZJUUUORDSA-N -1 0 314.342 -0.268 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCc2nc[nH]c(=O)c2C1 ZINC001467245185 1009481101 /nfs/dbraw/zinc/48/11/01/1009481101.db2.gz MVJAAEXUAXBSFQ-UHFFFAOYSA-N -1 0 320.309 -0.450 20 0 DBADRM O=C(c1ccnc2[nH]cnc21)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001467456939 1009494130 /nfs/dbraw/zinc/49/41/30/1009494130.db2.gz YNPIDVGTEWQCLX-UHFFFAOYSA-N -1 0 314.309 -0.405 20 0 DBADRM O=C(c1cnc2n1CCC2)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001467456012 1009494969 /nfs/dbraw/zinc/49/49/69/1009494969.db2.gz LRCKPMQDZJEOFL-UHFFFAOYSA-N -1 0 303.326 -0.534 20 0 DBADRM Cc1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cc(=O)[nH]1 ZINC001467456891 1009495187 /nfs/dbraw/zinc/49/51/87/1009495187.db2.gz WVODJHDNSNIRIL-UHFFFAOYSA-N -1 0 304.310 -0.267 20 0 DBADRM CN(C)c1cnc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cn1 ZINC001467455845 1009496368 /nfs/dbraw/zinc/49/63/68/1009496368.db2.gz DAIZFAHZHQBSEF-UHFFFAOYSA-N -1 0 318.341 -0.821 20 0 DBADRM O=C(C1=C2CCCN=C2NN1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001467508971 1009502504 /nfs/dbraw/zinc/50/25/04/1009502504.db2.gz QEHQKSHERQLNSR-MRVPVSSYSA-N -1 0 317.353 -0.230 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)NCCc1n[n-]c(=S)o1 ZINC001448067273 1009508370 /nfs/dbraw/zinc/50/83/70/1009508370.db2.gz LVTIHLVAUDMMNI-UHFFFAOYSA-N -1 0 322.412 -0.265 20 0 DBADRM C[C@H](CNC(=O)CCC(F)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001448090638 1009523097 /nfs/dbraw/zinc/52/30/97/1009523097.db2.gz SILVOYSFOWIUEX-ZCFIWIBFSA-N -1 0 321.284 -0.645 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H](C)[S@@]1=O ZINC001467925803 1009530172 /nfs/dbraw/zinc/53/01/72/1009530172.db2.gz PKFSMSDQOFMRMJ-UWCLWIGYSA-N -1 0 302.356 -0.553 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC001468074217 1009539159 /nfs/dbraw/zinc/53/91/59/1009539159.db2.gz XOLBVUMWGZMPFM-NKWVEPMBSA-N -1 0 314.323 -0.926 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)Cc1ccnn1C ZINC001448122557 1009542542 /nfs/dbraw/zinc/54/25/42/1009542542.db2.gz OHWIUUSMZAXQBP-SECBINFHSA-N -1 0 323.357 -0.941 20 0 DBADRM CN(C[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)c1ccon1 ZINC001598437334 1017269569 /nfs/dbraw/zinc/26/95/69/1017269569.db2.gz WQPZDNFHAXUUNX-QMMMGPOBSA-N -1 0 321.293 -0.870 20 0 DBADRM CN(C[C@H](O)CN1C[C@H](O)C[C@H]1C(=O)[O-])C(=O)OC(C)(C)C ZINC001598437122 1017270371 /nfs/dbraw/zinc/27/03/71/1017270371.db2.gz SWMRZTNFXIUVCZ-VWYCJHECSA-N -1 0 318.370 -0.266 20 0 DBADRM CN(CC1CC1)C(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598448116 1017270547 /nfs/dbraw/zinc/27/05/47/1017270547.db2.gz LYACBWROBFZKPD-CQSZACIVSA-N -1 0 309.322 -0.313 20 0 DBADRM CN(C[C@H](O)CN1C[C@@H](O)C[C@H]1C(=O)[O-])C(=O)OC(C)(C)C ZINC001598437114 1017270897 /nfs/dbraw/zinc/27/08/97/1017270897.db2.gz SWMRZTNFXIUVCZ-DCAQKATOSA-N -1 0 318.370 -0.266 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)NC1CC(C(=O)[O-])C1 ZINC001598436367 1017271025 /nfs/dbraw/zinc/27/10/25/1017271025.db2.gz MGSXGDBXONPLOZ-HTAVTVPLSA-N -1 0 315.370 -0.816 20 0 DBADRM CN(CCN1CCCC1=O)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001598487933 1017282330 /nfs/dbraw/zinc/28/23/30/1017282330.db2.gz SDRZPLZAWACJNN-UHFFFAOYSA-N -1 0 321.333 -0.373 20 0 DBADRM CN(CCNC(=O)[C@@]1(C)CCNC1=O)c1ccnc(C(=O)[O-])n1 ZINC001598489708 1017282375 /nfs/dbraw/zinc/28/23/75/1017282375.db2.gz WECSQRUQEIKDTI-AWEZNQCLSA-N -1 0 321.337 -0.747 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCC[C@@H]1CCOC1=O ZINC001598470894 1017272014 /nfs/dbraw/zinc/27/20/14/1017272014.db2.gz HHAWELJZUVCLGR-SECBINFHSA-N -1 0 308.356 -0.429 20 0 DBADRM CN(C[C@H]1COCCO1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001598468311 1017272389 /nfs/dbraw/zinc/27/23/89/1017272389.db2.gz WLOWAWFUPGCSPG-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC001598470943 1017272845 /nfs/dbraw/zinc/27/28/45/1017272845.db2.gz ROCLDCUKRNLPGL-VIFPVBQESA-N -1 0 321.355 -0.836 20 0 DBADRM CS[C@@H](C)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001448163296 1009579680 /nfs/dbraw/zinc/57/96/80/1009579680.db2.gz PGTUWEIJEAUFIY-QMMMGPOBSA-N -1 0 315.399 -0.685 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001598467354 1017273012 /nfs/dbraw/zinc/27/30/12/1017273012.db2.gz KXDWPZPNFMPAOE-JTQLQIEISA-N -1 0 310.306 -0.580 20 0 DBADRM CN(CCN1CCCC1=O)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598487731 1017282410 /nfs/dbraw/zinc/28/24/10/1017282410.db2.gz FLANUVWOZJRNKG-AOOOYVTPSA-N -1 0 304.368 -0.266 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)CCN1C(=O)CCNC1=S ZINC001598474361 1017275169 /nfs/dbraw/zinc/27/51/69/1017275169.db2.gz ULGDLMPTQRUTNM-UHFFFAOYSA-N -1 0 301.368 -0.194 20 0 DBADRM CN(CCCNC(=O)c1c[nH]c(=O)cn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598481200 1017276774 /nfs/dbraw/zinc/27/67/74/1017276774.db2.gz JEHRMUAAAGXIDA-BDAKNGLRSA-N -1 0 322.321 -0.931 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC(C2(O)CC2)CC1 ZINC001598481060 1017276883 /nfs/dbraw/zinc/27/68/83/1017276883.db2.gz VDHPFTIIIGVTLS-UHFFFAOYSA-N -1 0 306.384 -0.125 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)CCc1nnc[nH]1 ZINC001598479975 1017276975 /nfs/dbraw/zinc/27/69/75/1017276975.db2.gz PHPLVWFMHUWMCP-ZJUUUORDSA-N -1 0 323.353 -0.577 20 0 DBADRM CN(CCCNC(=O)c1cnccn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598481085 1017277403 /nfs/dbraw/zinc/27/74/03/1017277403.db2.gz FKJCOZMACJXVAG-UWVGGRQHSA-N -1 0 306.322 -0.224 20 0 DBADRM CN(CCCNC(=O)c1c[nH]c(=O)cn1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598481201 1017277463 /nfs/dbraw/zinc/27/74/63/1017277463.db2.gz JEHRMUAAAGXIDA-DTWKUNHWSA-N -1 0 322.321 -0.931 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)CCn1cccn1 ZINC001598480546 1017277774 /nfs/dbraw/zinc/27/77/74/1017277774.db2.gz WTDFYGVCXYWSNG-VXGBXAGGSA-N -1 0 322.365 -0.041 20 0 DBADRM CN(CCCNC(=O)c1cnccn1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598481086 1017277809 /nfs/dbraw/zinc/27/78/09/1017277809.db2.gz FKJCOZMACJXVAG-VHSXEESVSA-N -1 0 306.322 -0.224 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1cc[n+]([O-])cc1 ZINC001598486614 1017279467 /nfs/dbraw/zinc/27/94/67/1017279467.db2.gz SMHAJNDTMBRPHX-NEPJUHHUSA-N -1 0 321.333 -0.429 20 0 DBADRM CN(CCN(C)c1ccnc(C(=O)[O-])n1)C(=O)Cc1nnc[nH]1 ZINC001598485417 1017279686 /nfs/dbraw/zinc/27/96/86/1017279686.db2.gz SZVNJHVRLOVVKP-UHFFFAOYSA-N -1 0 319.325 -0.570 20 0 DBADRM CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)Cn1cncn1 ZINC001598482437 1017279753 /nfs/dbraw/zinc/27/97/53/1017279753.db2.gz AVGLYWYAAOMGNW-UHFFFAOYSA-N -1 0 319.325 -0.851 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])CC(=O)Nc1ccon1 ZINC001598485863 1017280201 /nfs/dbraw/zinc/28/02/01/1017280201.db2.gz GMLLDTWTCBLCKJ-VHSXEESVSA-N -1 0 324.337 -0.276 20 0 DBADRM CN(CCN1CCCS1(=O)=O)c1nccnc1C(=O)[O-] ZINC001598488177 1017280985 /nfs/dbraw/zinc/28/09/85/1017280985.db2.gz KMEKQDNUIGRHBW-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598488199 1017281012 /nfs/dbraw/zinc/28/10/12/1017281012.db2.gz LRCYXDQYUIPSOT-AOOOYVTPSA-N -1 0 319.383 -0.474 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCc1nc2ncccn2n1 ZINC001469098528 1009625138 /nfs/dbraw/zinc/62/51/38/1009625138.db2.gz FFDACIGTFFMGGF-UHFFFAOYSA-N -1 0 306.311 -0.644 20 0 DBADRM CN(CCN1CCOC(C)(C)C1)Cc1cn(CC(=O)[O-])nn1 ZINC001598488511 1017281479 /nfs/dbraw/zinc/28/14/79/1017281479.db2.gz DDZOCNZMDBLGJG-UHFFFAOYSA-N -1 0 311.386 -0.095 20 0 DBADRM CN(CCNC(=O)[C@@]1(F)CCOC1)c1ccnc(C(=O)[O-])n1 ZINC001598489093 1017281628 /nfs/dbraw/zinc/28/16/28/1017281628.db2.gz LJVVZFIHWTWGGI-CYBMUJFWSA-N -1 0 312.301 -0.144 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1nc(=O)o[n-]1 ZINC001469342413 1009653887 /nfs/dbraw/zinc/65/38/87/1009653887.db2.gz MKBKJEOBHJGTJQ-RQJHMYQMSA-N -1 0 318.355 -0.742 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O ZINC001469796620 1009688331 /nfs/dbraw/zinc/68/83/31/1009688331.db2.gz YVCADCUGAYWXOS-SCZZXKLOSA-N -1 0 319.358 -0.556 20 0 DBADRM O=C(COCC(F)(F)F)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448350460 1009727555 /nfs/dbraw/zinc/72/75/55/1009727555.db2.gz PHPFBRCNCHHCFK-UHFFFAOYSA-N -1 0 309.248 -0.411 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448349920 1009730332 /nfs/dbraw/zinc/73/03/32/1009730332.db2.gz OIKULQJJVXUTQF-VHSXEESVSA-N -1 0 323.353 -0.401 20 0 DBADRM COC1(OC)CCOC[C@H]1NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001470325997 1009732835 /nfs/dbraw/zinc/73/28/35/1009732835.db2.gz JPZGBJJIQXEPPQ-SSDOTTSWSA-N -1 0 318.355 -0.503 20 0 DBADRM CSCC[C@H](NC(=O)CC1CS(=O)(=O)C1)c1nnn[n-]1 ZINC001470329391 1009738400 /nfs/dbraw/zinc/73/84/00/1009738400.db2.gz ZWUAVISVHQVYLM-QMMMGPOBSA-N -1 0 319.412 -0.455 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001448377484 1009743581 /nfs/dbraw/zinc/74/35/81/1009743581.db2.gz QNHOCSHSXCHDJL-KWQFWETISA-N -1 0 315.337 -0.671 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001448393381 1009748538 /nfs/dbraw/zinc/74/85/38/1009748538.db2.gz IUBYJPZTFDNZOO-GXSJLCMTSA-N -1 0 311.386 -0.146 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2cc(F)cc(F)c2[O-])C[C@@H]1C(N)=O ZINC001470561734 1009758316 /nfs/dbraw/zinc/75/83/16/1009758316.db2.gz IXVKNGOVYDDFHW-YUMQZZPRSA-N -1 0 313.260 -0.671 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2cc(F)cc(F)c2[O-])C[C@H]1C(N)=O ZINC001470561733 1009758730 /nfs/dbraw/zinc/75/87/30/1009758730.db2.gz IXVKNGOVYDDFHW-OCAPTIKFSA-N -1 0 313.260 -0.671 20 0 DBADRM CN1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)[C@@H](CO)C1 ZINC001470601909 1009769028 /nfs/dbraw/zinc/76/90/28/1009769028.db2.gz MRVAGLZIUVNRQX-GFCCVEGCSA-N -1 0 318.333 -0.222 20 0 DBADRM CN1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)[C@H](CO)C1 ZINC001470601910 1009769169 /nfs/dbraw/zinc/76/91/69/1009769169.db2.gz MRVAGLZIUVNRQX-LBPRGKRZSA-N -1 0 318.333 -0.222 20 0 DBADRM C[C@H](O)[C@@H](O)CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC001470644935 1009772434 /nfs/dbraw/zinc/77/24/34/1009772434.db2.gz NOPSBUOTBWSLED-KWQFWETISA-N -1 0 302.352 -0.470 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1 ZINC001470700993 1009777579 /nfs/dbraw/zinc/77/75/79/1009777579.db2.gz HBADMQWZKQOQIF-IUCAKERBSA-N -1 0 303.315 -0.974 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001471646301 1009834900 /nfs/dbraw/zinc/83/49/00/1009834900.db2.gz GHCWYFDQOKEFBQ-MNOVXSKESA-N -1 0 324.385 -0.003 20 0 DBADRM CCOC(=O)c1n[nH]nc1[C@@H]1CCCN1C(=O)[C@H]1COC(=O)N1 ZINC001471798741 1009845113 /nfs/dbraw/zinc/84/51/13/1009845113.db2.gz UDSBRMQGGRUOEN-SFYZADRCSA-N -1 0 323.309 -0.247 20 0 DBADRM CCOC(=O)NCCCC(=O)N[C@@H](COC)c1nnn[n-]1 ZINC001471845091 1009849351 /nfs/dbraw/zinc/84/93/51/1009849351.db2.gz CZXPGZWPFSBCJZ-QMMMGPOBSA-N -1 0 300.319 -0.470 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CCn2cc(C)nc2C1)c1nnn[n-]1 ZINC001471845378 1009849383 /nfs/dbraw/zinc/84/93/83/1009849383.db2.gz LHTRCVCLEWAUEG-NXEZZACHSA-N -1 0 305.342 -0.229 20 0 DBADRM COC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)c1nnn[n-]1 ZINC001471845388 1009849691 /nfs/dbraw/zinc/84/96/91/1009849691.db2.gz LSOZFUBLACZCQN-RXMQYKEDSA-N -1 0 310.236 -0.928 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)O1 ZINC001471854359 1009850507 /nfs/dbraw/zinc/85/05/07/1009850507.db2.gz UWDWRLCODXMMBR-AXFHLTTASA-N -1 0 323.353 -0.299 20 0 DBADRM O=C(CC1(O)CCOCC1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001471853736 1009850622 /nfs/dbraw/zinc/85/06/22/1009850622.db2.gz MSQHSEKCIDAOIE-NSHDSACASA-N -1 0 309.370 -0.088 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001471853721 1009850738 /nfs/dbraw/zinc/85/07/38/1009850738.db2.gz MNNKESOIQSMSCU-UWVGGRQHSA-N -1 0 315.399 -0.339 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)c(=O)[nH]c1=O ZINC001471854344 1009850791 /nfs/dbraw/zinc/85/07/91/1009850791.db2.gz UVBHWMXZCMQDFF-MRVPVSSYSA-N -1 0 319.325 -0.906 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](O)Cc1ccc(F)cc1 ZINC001471899673 1009854163 /nfs/dbraw/zinc/85/41/63/1009854163.db2.gz BZRCRCNXKUXKKZ-JTQLQIEISA-N -1 0 310.285 -0.452 20 0 DBADRM Cn1ccc([C@H]2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001471925320 1009854686 /nfs/dbraw/zinc/85/46/86/1009854686.db2.gz WCGVOEANKNMCPR-VIFPVBQESA-N -1 0 306.326 -0.171 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC001472186252 1009872381 /nfs/dbraw/zinc/87/23/81/1009872381.db2.gz SWJNBJBSJHOVAM-UHFFFAOYSA-N -1 0 315.351 -0.940 20 0 DBADRM C[C@H](NC(=O)c1cn(C(F)(F)CO)nn1)c1nn(C)cc1[O-] ZINC001472236254 1009875120 /nfs/dbraw/zinc/87/51/20/1009875120.db2.gz JJNOXTYYPYTCRT-LURJTMIESA-N -1 0 316.268 -0.250 20 0 DBADRM C[C@H](NC(=O)Cc1nc2ncccn2n1)c1nn(C)cc1[O-] ZINC001472235591 1009875733 /nfs/dbraw/zinc/87/57/33/1009875733.db2.gz DJNYYQOUNRCQFI-QMMMGPOBSA-N -1 0 301.310 -0.017 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)Cn2ccnc2)c1[O-] ZINC001448789672 1009877454 /nfs/dbraw/zinc/87/74/54/1009877454.db2.gz DZHKSKPQNGZFQF-UHFFFAOYSA-N -1 0 306.326 -0.491 20 0 DBADRM CN(CCNC(=O)C1=CCCC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001448800083 1009880606 /nfs/dbraw/zinc/88/06/06/1009880606.db2.gz SZGSECDFNPNPJO-UHFFFAOYSA-N -1 0 307.310 -0.419 20 0 DBADRM Cn1cc([C@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1 ZINC001472328532 1009881148 /nfs/dbraw/zinc/88/11/48/1009881148.db2.gz MJUMXZOVPDHRLT-ZETCQYMHSA-N -1 0 305.298 -0.569 20 0 DBADRM COC(=O)C1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001472343539 1009881307 /nfs/dbraw/zinc/88/13/07/1009881307.db2.gz DUWAFJPCNFINQN-UHFFFAOYSA-N -1 0 318.289 -0.489 20 0 DBADRM COc1c(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cnn1C ZINC001472498120 1009887888 /nfs/dbraw/zinc/88/78/88/1009887888.db2.gz JHXLIIKTOBYNTO-UHFFFAOYSA-N -1 0 300.300 -0.797 20 0 DBADRM O=C([N-]N1CN=NC1=O)c1c[nH]nc1I ZINC001472537563 1009889257 /nfs/dbraw/zinc/88/92/57/1009889257.db2.gz QDVULPDCKRATOW-UHFFFAOYSA-N -1 0 320.050 -0.305 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CNC(=O)c1ccc(O)cc1 ZINC001472586846 1009890163 /nfs/dbraw/zinc/89/01/63/1009890163.db2.gz ZQSIMNVRWLIJIV-UHFFFAOYSA-N -1 0 306.278 -0.543 20 0 DBADRM CS[C@H](C)CC(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001448815194 1009892046 /nfs/dbraw/zinc/89/20/46/1009892046.db2.gz HUQIVUCHJJSZNE-HTQZYQBOSA-N -1 0 303.388 -0.781 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]CCS(C)(=O)=O ZINC001474901384 1009984148 /nfs/dbraw/zinc/98/41/48/1009984148.db2.gz KIKKRAINRKSBKT-UHFFFAOYSA-N -1 0 306.431 -0.627 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC(=O)OCC1CC1 ZINC001474911036 1009984262 /nfs/dbraw/zinc/98/42/62/1009984262.db2.gz MAAAKYKSIYVSHQ-SFHVURJKSA-N -1 0 313.401 -0.652 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CC1(CO)COC1 ZINC001475120891 1009998842 /nfs/dbraw/zinc/99/88/42/1009998842.db2.gz LYXQTHSSWKFNFY-UHFFFAOYSA-N -1 0 305.308 -0.647 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@H]1CCCC(C)(C)O1 ZINC001475139838 1010002808 /nfs/dbraw/zinc/00/28/08/1010002808.db2.gz FDFPOUUUDICBPS-NXEZZACHSA-N -1 0 309.384 -0.213 20 0 DBADRM C[S@@](=O)(=NS(=O)(=O)[N-][C@@H]1COC[C@H]1O)c1ccccc1 ZINC001475303531 1010011611 /nfs/dbraw/zinc/01/16/11/1010011611.db2.gz PPDPVPNPBSYBDB-BFKGZMGPSA-N -1 0 320.392 -0.263 20 0 DBADRM COC(=O)[C@H](CCF)[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001475453016 1010031067 /nfs/dbraw/zinc/03/10/67/1010031067.db2.gz GTONPZTTYXERHK-ULCDLSAGSA-N -1 0 319.380 -0.704 20 0 DBADRM CCOC(=O)c1n[nH]c([C@H](C)NS(=O)(=O)[C@H]2CCOC2)n1 ZINC001475480615 1010031110 /nfs/dbraw/zinc/03/11/10/1010031110.db2.gz BZMZDLBKQDWULR-YUMQZZPRSA-N -1 0 318.355 -0.249 20 0 DBADRM O=C1NCCO[C@@H]2CCCN(S(=O)(=O)c3ncc[n-]3)[C@H]12 ZINC001475609958 1010038431 /nfs/dbraw/zinc/03/84/31/1010038431.db2.gz BSIPRPVZBCGGJK-BDAKNGLRSA-N -1 0 300.340 -0.922 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CC[C@H]1CNC(=O)C1 ZINC001475655740 1010046016 /nfs/dbraw/zinc/04/60/16/1010046016.db2.gz GAZVMRDKDTUUAY-MRVPVSSYSA-N -1 0 316.335 -0.129 20 0 DBADRM CC[C@H](NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1)C(=O)[O-] ZINC001595232569 1017080428 /nfs/dbraw/zinc/08/04/28/1017080428.db2.gz DMQOPOADLAKNGA-SWPVVBRQSA-N -1 0 307.306 -0.063 20 0 DBADRM CC[C@@H](NC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)C1CC1 ZINC001595228122 1017080450 /nfs/dbraw/zinc/08/04/50/1017080450.db2.gz CEROJWXFATZICQ-VXGBXAGGSA-N -1 0 312.366 -0.025 20 0 DBADRM CC[C@@](COC)(NC(=O)c1ccc(-n2cnnn2)cn1)C(=O)[O-] ZINC001595195043 1017080538 /nfs/dbraw/zinc/08/05/38/1017080538.db2.gz WVKIERNVIJNLAT-ZDUSSCGKSA-N -1 0 320.309 -0.333 20 0 DBADRM CCc1c(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)ccn1C ZINC001448911108 1010055882 /nfs/dbraw/zinc/05/58/82/1010055882.db2.gz SFOANTXSJHLQOB-SECBINFHSA-N -1 0 322.369 -0.708 20 0 DBADRM CC[C@H](NC(=O)CN1CCC[C@@H](C(=O)OC)C1=O)C(=O)[O-] ZINC001595242872 1017081152 /nfs/dbraw/zinc/08/11/52/1017081152.db2.gz RFHKMXNOOHMJPS-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](O)C[N-]S(=O)(=O)N=S(C)(C)=O ZINC001475784631 1010059061 /nfs/dbraw/zinc/05/90/61/1010059061.db2.gz OHNBLOWCKUDUOV-SECBINFHSA-N -1 0 324.428 -0.368 20 0 DBADRM CC[C@H](COC)NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001595198548 1017081493 /nfs/dbraw/zinc/08/14/93/1017081493.db2.gz IVXSRNRZGWCZMY-OPRDCNLKSA-N -1 0 302.327 -0.073 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)c2cnn(C[C@H](O)CO)c2)c1 ZINC001595244548 1017082571 /nfs/dbraw/zinc/08/25/71/1017082571.db2.gz XFZGFWPTEZTPQL-ZDUSSCGKSA-N -1 0 319.317 -0.136 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)C1 ZINC001595392240 1017083176 /nfs/dbraw/zinc/08/31/76/1017083176.db2.gz BKFHBOMDXZKNFP-KMUNFCNLSA-N -1 0 312.366 -0.071 20 0 DBADRM CC[C@@]1(C(=O)NCCNc2ncc(C(=O)[O-])cn2)CCNC1=O ZINC001595367139 1017083203 /nfs/dbraw/zinc/08/32/03/1017083203.db2.gz ZBDQEJSNAXWKRY-CQSZACIVSA-N -1 0 321.337 -0.381 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC001476594747 1010075052 /nfs/dbraw/zinc/07/50/52/1010075052.db2.gz AUSAMIJOCMCCHM-VIFPVBQESA-N -1 0 310.362 -0.618 20 0 DBADRM CC[C@H](OC(=O)c1ccc(S(N)(=O)=O)cc1N)C(=O)[O-] ZINC001595351747 1017084213 /nfs/dbraw/zinc/08/42/13/1017084213.db2.gz KUAMYNIFBLOJEZ-VIFPVBQESA-N -1 0 302.308 -0.064 20 0 DBADRM CC[C@@]1(C(=O)NCCNc2ccnc(C(=O)[O-])n2)CCNC1=O ZINC001595367141 1017085073 /nfs/dbraw/zinc/08/50/73/1017085073.db2.gz ZCSVKHODLFMDTN-CQSZACIVSA-N -1 0 321.337 -0.959 20 0 DBADRM CC[C@@H](OC)C(=O)NC[C@@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001595354410 1017085297 /nfs/dbraw/zinc/08/52/97/1017085297.db2.gz WCWLEYLBEJZISO-NXEZZACHSA-N -1 0 312.326 -0.511 20 0 DBADRM CCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001595365420 1017085326 /nfs/dbraw/zinc/08/53/26/1017085326.db2.gz TZQUZDGYPKZXST-UWVGGRQHSA-N -1 0 310.350 -0.413 20 0 DBADRM CC[C@@H]1CC(=O)N(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1 ZINC001595406838 1017086626 /nfs/dbraw/zinc/08/66/26/1017086626.db2.gz AQUAPLHCWYUORC-GHMZBOCLSA-N -1 0 318.395 -0.224 20 0 DBADRM CC[C@@H]1CN(CC(=O)NCCC(=O)[O-])C[C@@H](C)S1(=O)=O ZINC001595481719 1017087402 /nfs/dbraw/zinc/08/74/02/1017087402.db2.gz ARISXAVSYKWBHD-NXEZZACHSA-N -1 0 306.384 -0.525 20 0 DBADRM CC[C@@H]1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CCO1 ZINC001595406924 1017087707 /nfs/dbraw/zinc/08/77/07/1017087707.db2.gz CBOTYVUGPWLCQS-HBNTYKKESA-N -1 0 319.379 -0.098 20 0 DBADRM CC[C@H](C(=O)N1CC(O)(C(=O)[O-])C1)N1CCO[C@@H](CC)C1 ZINC001595484590 1017087899 /nfs/dbraw/zinc/08/78/99/1017087899.db2.gz UARZLJRGTDBMKW-WDEREUQCSA-N -1 0 300.355 -0.466 20 0 DBADRM CC[C@H]1CN(C)CCN1C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001595482435 1017087925 /nfs/dbraw/zinc/08/79/25/1017087925.db2.gz DDKHMVWPLMSJBV-VIFPVBQESA-N -1 0 323.353 -0.391 20 0 DBADRM CC[C@H](C(=O)N[C@](C)(CO)C(=O)[O-])N1CCO[C@H](CC)C1 ZINC001595484574 1017087954 /nfs/dbraw/zinc/08/79/54/1017087954.db2.gz SSFCCNZIOXIYCC-JTNHKYCSSA-N -1 0 302.371 -0.172 20 0 DBADRM CC[C@H]1CN(CC(=O)NCCC(=O)[O-])C[C@@H](C)S1(=O)=O ZINC001595481725 1017088331 /nfs/dbraw/zinc/08/83/31/1017088331.db2.gz ARISXAVSYKWBHD-ZJUUUORDSA-N -1 0 306.384 -0.525 20 0 DBADRM CCc1ccc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001448953549 1010113226 /nfs/dbraw/zinc/11/32/26/1010113226.db2.gz VQCKYDLXMFMNIK-GFCCVEGCSA-N -1 0 319.365 -0.047 20 0 DBADRM CCCC(=O)NCC(=O)N(C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001595527513 1017088867 /nfs/dbraw/zinc/08/88/67/1017088867.db2.gz KUJQQULDTOGXLR-ZJUUUORDSA-N -1 0 313.354 -0.802 20 0 DBADRM CCC[C@@H](C(=O)N[C@]1(CC(=O)[O-])CCCOC1)S(N)(=O)=O ZINC001595535467 1017089014 /nfs/dbraw/zinc/08/90/14/1017089014.db2.gz CVVHNQKLWJTDET-CABZTGNLSA-N -1 0 322.383 -0.416 20 0 DBADRM CC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)C(=O)[O-] ZINC001595233220 1017080182 /nfs/dbraw/zinc/08/01/82/1017080182.db2.gz XHEXZWNVSZPLDM-RKDXNWHRSA-N -1 0 301.343 -0.628 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001449083487 1010208949 /nfs/dbraw/zinc/20/89/49/1010208949.db2.gz MMQJYWVZNGVMQT-IUCAKERBSA-N -1 0 311.342 -0.690 20 0 DBADRM CN(C[C@H]1CCN1Cc1cc(=O)[nH]c(C2CC2)n1)C(=O)C(N)=O ZINC001479242658 1010211943 /nfs/dbraw/zinc/21/19/43/1010211943.db2.gz KJWAREJORQAZDK-LLVKDONJSA-N -1 0 319.365 -0.422 20 0 DBADRM Cc1ccnn1CC(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001479250723 1010217529 /nfs/dbraw/zinc/21/75/29/1010217529.db2.gz XMDQWKAYTCVXBY-LLVKDONJSA-N -1 0 319.369 -0.252 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)CCCc2nnn[n-]2)CCCC1 ZINC001449102546 1010245378 /nfs/dbraw/zinc/24/53/78/1010245378.db2.gz IXIBESHIIJZFCX-UHFFFAOYSA-N -1 0 315.399 -0.004 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCC(=O)NC1)c1ncc(C(=O)[O-])cn1 ZINC001598490467 1017284695 /nfs/dbraw/zinc/28/46/95/1017284695.db2.gz HPDAEZPPVLEGOH-SECBINFHSA-N -1 0 321.337 -0.747 20 0 DBADRM CN(CCNC(=O)CCc1cn[nH]n1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598491010 1017285134 /nfs/dbraw/zinc/28/51/34/1017285134.db2.gz RXMLRGLTSVFDTQ-UWVGGRQHSA-N -1 0 309.326 -0.967 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001598494257 1017288095 /nfs/dbraw/zinc/28/80/95/1017288095.db2.gz QTPVSDLHEUANKZ-UHFFFAOYSA-N -1 0 318.355 -0.264 20 0 DBADRM CN(CCNC(=O)c1cc[n+]([O-])cc1)c1ccnc(C(=O)[O-])n1 ZINC001598493068 1017288103 /nfs/dbraw/zinc/28/81/03/1017288103.db2.gz WWQUPHMGIUNRLG-UHFFFAOYSA-N -1 0 317.305 -0.326 20 0 DBADRM CN(Cc1nnc2n1CCNC2=O)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001598540742 1017296780 /nfs/dbraw/zinc/29/67/80/1017296780.db2.gz LXJNDTUVELKKOV-UHFFFAOYSA-N -1 0 318.293 -0.680 20 0 DBADRM CN(CCNC(=O)c1cn[nH]c(=O)c1)c1ncc(C(=O)[O-])cn1 ZINC001598492878 1017288455 /nfs/dbraw/zinc/28/84/55/1017288455.db2.gz MSFSYRHGSPHTGA-UHFFFAOYSA-N -1 0 318.293 -0.463 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001598494458 1017288705 /nfs/dbraw/zinc/28/87/05/1017288705.db2.gz YUKMVTCIIKCXSW-UHFFFAOYSA-N -1 0 319.343 -0.869 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 ZINC001479464326 1010291232 /nfs/dbraw/zinc/29/12/32/1010291232.db2.gz WWWLSCGGMHWTPM-SECBINFHSA-N -1 0 307.372 -0.727 20 0 DBADRM O=C(Cc1c[nH]cn1)NC[C@H]1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001479478687 1010291275 /nfs/dbraw/zinc/29/12/75/1010291275.db2.gz JZOLOXYLMIXNNR-VHSXEESVSA-N -1 0 319.369 -0.149 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC(N2CCOC2=O)CC1 ZINC001479463889 1010291353 /nfs/dbraw/zinc/29/13/53/1010291353.db2.gz SCOZHGODVBKTJV-UHFFFAOYSA-N -1 0 300.315 -0.710 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)[C@@H]1C[C@]12CCOC2 ZINC001598495621 1017290468 /nfs/dbraw/zinc/29/04/68/1017290468.db2.gz LDUVDDWFWBNACA-BONVTDFDSA-N -1 0 320.349 -0.106 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1ncccc1O ZINC001598496001 1017290516 /nfs/dbraw/zinc/29/05/16/1017290516.db2.gz SMXILZNMDKLDDM-UHFFFAOYSA-N -1 0 317.305 -0.119 20 0 DBADRM CN(CCO)CCNS(=O)(=O)c1scnc1C(=O)[O-] ZINC001598496441 1017290584 /nfs/dbraw/zinc/29/05/84/1017290584.db2.gz JMSCLBOCARLYCC-UHFFFAOYSA-N -1 0 309.369 -0.956 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)C[C@@H]1CCC(=O)N1 ZINC001598495380 1017291056 /nfs/dbraw/zinc/29/10/56/1017291056.db2.gz GGCWRVITURTVNN-VIFPVBQESA-N -1 0 321.337 -0.864 20 0 DBADRM CN(CCO)CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001598496620 1017291507 /nfs/dbraw/zinc/29/15/07/1017291507.db2.gz VEMXGZZRSAWXLE-UHFFFAOYSA-N -1 0 320.342 -0.274 20 0 DBADRM CN(C[C@H]1CCCO1)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001598503810 1017292911 /nfs/dbraw/zinc/29/29/11/1017292911.db2.gz XLGIZOMSVSNBFT-MRVPVSSYSA-N -1 0 310.310 -0.306 20 0 DBADRM CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001598504439 1017293258 /nfs/dbraw/zinc/29/32/58/1017293258.db2.gz LMHYYMQDYFXGSJ-OVZMXSCWSA-N -1 0 324.377 -0.071 20 0 DBADRM CN(CCn1cnnc1)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001598504112 1017293597 /nfs/dbraw/zinc/29/35/97/1017293597.db2.gz ZGDAANNJCVFZJA-UHFFFAOYSA-N -1 0 311.323 -0.308 20 0 DBADRM CN(Cc1cn(C)nn1)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001598532696 1017295077 /nfs/dbraw/zinc/29/50/77/1017295077.db2.gz CLNJDKJVXRFEIW-UHFFFAOYSA-N -1 0 311.323 -0.271 20 0 DBADRM CN(Cc1ccn(C)n1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001598531588 1017295847 /nfs/dbraw/zinc/29/58/47/1017295847.db2.gz CIECXTWWXSOXFN-UHFFFAOYSA-N -1 0 307.314 -0.449 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC001598520372 1017296083 /nfs/dbraw/zinc/29/60/83/1017296083.db2.gz BEKTXFQCWBWBQK-MRVPVSSYSA-N -1 0 319.321 -0.525 20 0 DBADRM CCOC(=O)c1cnn2c1nccc2C(=O)NCC(=O)[N-]OC ZINC001598521590 1017296311 /nfs/dbraw/zinc/29/63/11/1017296311.db2.gz WIAXJPVKZVDXLU-UHFFFAOYSA-N -1 0 321.293 -0.687 20 0 DBADRM CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001598539397 1017296352 /nfs/dbraw/zinc/29/63/52/1017296352.db2.gz IDCCUOLKUQOGSD-JGVFFNPUSA-N -1 0 305.294 -0.513 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)CCc1cncn1C ZINC001598489507 1017283088 /nfs/dbraw/zinc/28/30/88/1017283088.db2.gz QWZDWPNHGPGGBA-NWDGAFQWSA-N -1 0 322.365 -0.352 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)c1ccoc1 ZINC001449180877 1010343919 /nfs/dbraw/zinc/34/39/19/1010343919.db2.gz BEFNURZVRLJBGH-JTQLQIEISA-N -1 0 309.326 -0.332 20 0 DBADRM Cc1n[nH]cc1C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001449210369 1010378793 /nfs/dbraw/zinc/37/87/93/1010378793.db2.gz HVWXBHPXSIXLSO-VIFPVBQESA-N -1 0 323.357 -0.893 20 0 DBADRM Cc1cnn(C)c1C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001479790906 1010386535 /nfs/dbraw/zinc/38/65/35/1010386535.db2.gz WWJUKSGYFZGRPT-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM C[C@H](C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1)[C@@H]1CCC(=O)N1 ZINC001479798407 1010389593 /nfs/dbraw/zinc/38/95/93/1010389593.db2.gz WRXKKVVRNBZTDA-UWVGGRQHSA-N -1 0 324.385 -0.637 20 0 DBADRM COCCN(CCNC(=O)[C@@H]1CCOC1)Cc1n[nH]c(=O)[n-]1 ZINC001449331134 1010435830 /nfs/dbraw/zinc/43/58/30/1010435830.db2.gz ZLELCAPZVBUQGX-SNVBAGLBSA-N -1 0 313.358 -0.889 20 0 DBADRM O=C(CCc1nnn[n-]1)NC[C@H]1CCCN(Cc2ncon2)C1 ZINC001449356545 1010451666 /nfs/dbraw/zinc/45/16/66/1010451666.db2.gz ITRUIVIYXSJZFP-SNVBAGLBSA-N -1 0 320.357 -0.456 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H]1CNC(=O)C(F)F ZINC001449545949 1010502874 /nfs/dbraw/zinc/50/28/74/1010502874.db2.gz CCYRJBDIEXIROR-LURJTMIESA-N -1 0 319.268 -0.938 20 0 DBADRM O=C(CC1CC1)NC[C@@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001449547799 1010504802 /nfs/dbraw/zinc/50/48/02/1010504802.db2.gz IJLUZNWWTVHCJA-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001449564440 1010508789 /nfs/dbraw/zinc/50/87/89/1010508789.db2.gz AKVUGMUWSVXKST-VXGBXAGGSA-N -1 0 318.337 -0.391 20 0 DBADRM C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H](C)NC(=O)C1CCC1 ZINC001449568814 1010512080 /nfs/dbraw/zinc/51/20/80/1010512080.db2.gz DCKWRDVZWBEPRJ-IUCAKERBSA-N -1 0 322.365 -0.091 20 0 DBADRM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC001595506187 1017089892 /nfs/dbraw/zinc/08/98/92/1017089892.db2.gz RWYRSZHTNVODKX-PIOFTHJTSA-N -1 0 316.379 -0.194 20 0 DBADRM CC[C@H]1COCCN1C(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001595500848 1017089920 /nfs/dbraw/zinc/08/99/20/1017089920.db2.gz SWSAQAJQRRGWHG-HZMBPMFUSA-N -1 0 314.338 -0.674 20 0 DBADRM CC[C@H]1COCCN1C(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001595500851 1017090058 /nfs/dbraw/zinc/09/00/58/1017090058.db2.gz SWSAQAJQRRGWHG-IINYFYTJSA-N -1 0 314.338 -0.674 20 0 DBADRM CC[C@H]1CN(Cn2cnc(C(=O)[O-])n2)C[C@@H](C)S1(=O)=O ZINC001595491470 1017090118 /nfs/dbraw/zinc/09/01/18/1017090118.db2.gz WXCZBGUHVRQEJP-BDAKNGLRSA-N -1 0 302.356 -0.169 20 0 DBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@@H](C)NC(=O)C1(C)CC1 ZINC001449664874 1010541277 /nfs/dbraw/zinc/54/12/77/1010541277.db2.gz HJGNAUOVVXFBEF-RKDXNWHRSA-N -1 0 322.365 -0.091 20 0 DBADRM CC[C@@H]1CN(Cn2cnc(C(=O)[O-])n2)C[C@@H](C)S1(=O)=O ZINC001595491473 1017090518 /nfs/dbraw/zinc/09/05/18/1017090518.db2.gz WXCZBGUHVRQEJP-RKDXNWHRSA-N -1 0 302.356 -0.169 20 0 DBADRM CCC[C@H](C(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-])S(N)(=O)=O ZINC001595531890 1017090718 /nfs/dbraw/zinc/09/07/18/1017090718.db2.gz AYMMGRZIMCXHRT-KXUCPTDWSA-N -1 0 322.383 -0.466 20 0 DBADRM CC[C@H]1COCCN1C(=O)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001595500016 1017090758 /nfs/dbraw/zinc/09/07/58/1017090758.db2.gz HGHRAARNDVSFSI-DCAQKATOSA-N -1 0 314.338 -0.770 20 0 DBADRM CCC[C@H](CCO)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001595592164 1017091334 /nfs/dbraw/zinc/09/13/34/1017091334.db2.gz UYLWUQIDJZIARE-GHMZBOCLSA-N -1 0 300.355 -0.023 20 0 DBADRM CCC[C@@H](O)[C@H](CO)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001595609415 1017091641 /nfs/dbraw/zinc/09/16/41/1017091641.db2.gz VZZXGDPERVZRLJ-DTWKUNHWSA-N -1 0 316.310 -0.473 20 0 DBADRM CCC[C@@](C)(O)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001595566997 1017091766 /nfs/dbraw/zinc/09/17/66/1017091766.db2.gz ULUKBKLEGNJCSP-CYBMUJFWSA-N -1 0 303.359 -0.182 20 0 DBADRM CCC[C@H](O)[C@H](CO)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001595609091 1017092991 /nfs/dbraw/zinc/09/29/91/1017092991.db2.gz OWVGDDWXVJITEC-USZNOCQGSA-N -1 0 303.355 -0.106 20 0 DBADRM CCC[C@H](CCCS(C)(=O)=O)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001595586906 1017093161 /nfs/dbraw/zinc/09/31/61/1017093161.db2.gz UQMGBZHQVJAWSY-ZJUUUORDSA-N -1 0 309.384 -0.211 20 0 DBADRM CCC[C@](C)(O)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001595566998 1017093288 /nfs/dbraw/zinc/09/32/88/1017093288.db2.gz ULUKBKLEGNJCSP-ZDUSSCGKSA-N -1 0 303.359 -0.182 20 0 DBADRM CCC[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1)S(N)(=O)=O ZINC001595536160 1017093405 /nfs/dbraw/zinc/09/34/05/1017093405.db2.gz QJENOMRWAMLGPJ-DTWKUNHWSA-N -1 0 318.355 -0.881 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001595638896 1017093861 /nfs/dbraw/zinc/09/38/61/1017093861.db2.gz ISHAPLKCDLREOP-UWVGGRQHSA-N -1 0 311.342 -0.251 20 0 DBADRM CCCC[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)OC ZINC001595641420 1017093908 /nfs/dbraw/zinc/09/39/08/1017093908.db2.gz XAHBAMYCVONHOQ-SECBINFHSA-N -1 0 310.372 -0.041 20 0 DBADRM CCCC1(CNC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001595617607 1017094072 /nfs/dbraw/zinc/09/40/72/1017094072.db2.gz SBBJENNPKUMVBF-WDEREUQCSA-N -1 0 312.366 -0.023 20 0 DBADRM CCCC[C@H](C(=O)[O-])S(=O)(=O)CCCS(=O)(=O)NC ZINC001595629697 1017094100 /nfs/dbraw/zinc/09/41/00/1017094100.db2.gz MEFZUORVMSNUDO-SECBINFHSA-N -1 0 315.413 -0.016 20 0 DBADRM CCCC[C@H](OC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)[O-] ZINC001595651341 1017094546 /nfs/dbraw/zinc/09/45/46/1017094546.db2.gz SKIUGGUONKOCHD-ZETCQYMHSA-N -1 0 300.267 -0.406 20 0 DBADRM CCC[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001595620026 1017094707 /nfs/dbraw/zinc/09/47/07/1017094707.db2.gz UVMZBEDDIARLMA-QMMMGPOBSA-N -1 0 316.339 -0.603 20 0 DBADRM CCCC1(C(=O)NCC2(O)CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001595616007 1017095594 /nfs/dbraw/zinc/09/55/94/1017095594.db2.gz XGKGUYFVUXCCEK-WDEREUQCSA-N -1 0 324.377 -0.023 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N[C@H](CCC(=O)OC)C(=O)[O-] ZINC001595639260 1017095878 /nfs/dbraw/zinc/09/58/78/1017095878.db2.gz UPMSSOIXLMZITH-RKDXNWHRSA-N -1 0 317.342 -0.264 20 0 DBADRM CCCC[C@@H](C(=O)[O-])N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001595627569 1017095891 /nfs/dbraw/zinc/09/58/91/1017095891.db2.gz KCHBTWWSLIPIOD-QWRGUYRKSA-N -1 0 320.411 -0.135 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001595637349 1017096359 /nfs/dbraw/zinc/09/63/59/1017096359.db2.gz DADRSQNWCXJBAQ-VHSXEESVSA-N -1 0 301.343 -0.084 20 0 DBADRM CCCC[C@H](C(=O)[O-])N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001595627567 1017096476 /nfs/dbraw/zinc/09/64/76/1017096476.db2.gz KCHBTWWSLIPIOD-GHMZBOCLSA-N -1 0 320.411 -0.135 20 0 DBADRM CCCCOCCNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001595770626 1017097646 /nfs/dbraw/zinc/09/76/46/1017097646.db2.gz ZVXZNRNBYZSCDG-LLVKDONJSA-N -1 0 316.354 -0.379 20 0 DBADRM CCCCNC(=O)NC(=O)CS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001595760269 1017098886 /nfs/dbraw/zinc/09/88/86/1017098886.db2.gz XZXIPFQBPLGBDX-MRVPVSSYSA-N -1 0 308.356 -0.252 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001598547911 1017298286 /nfs/dbraw/zinc/29/82/86/1017298286.db2.gz LUXJFJSVTKEAST-UWVGGRQHSA-N -1 0 312.322 -0.384 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001598547826 1017298522 /nfs/dbraw/zinc/29/85/22/1017298522.db2.gz JTDDZQCHHMAAPV-SNVBAGLBSA-N -1 0 307.310 -0.630 20 0 DBADRM CN1C(=O)CN(CC(=O)NCCc2ccccc2C(=O)[O-])C1=O ZINC001598551036 1017298719 /nfs/dbraw/zinc/29/87/19/1017298719.db2.gz KOMUGNNZHXQOKW-UHFFFAOYSA-N -1 0 319.317 -0.063 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)OCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598550765 1017298870 /nfs/dbraw/zinc/29/88/70/1017298870.db2.gz YEXQRSOMZWMOCX-VIFPVBQESA-N -1 0 321.289 -0.118 20 0 DBADRM CN1C(=O)CN(CC(=O)OCC(=O)c2ccc(C(=O)[O-])o2)C1=O ZINC001598550922 1017298979 /nfs/dbraw/zinc/29/89/79/1017298979.db2.gz FUCZBNXVTSHYTL-UHFFFAOYSA-N -1 0 324.245 -0.402 20 0 DBADRM O=C(Cn1ccnc1)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001480336050 1010612535 /nfs/dbraw/zinc/61/25/35/1010612535.db2.gz ZGKQXBCPKZIOLD-NSHDSACASA-N -1 0 319.369 -0.122 20 0 DBADRM CN1C(=O)CN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1=O ZINC001598550889 1017299228 /nfs/dbraw/zinc/29/92/28/1017299228.db2.gz DFCKKYQELHANKV-UHFFFAOYSA-N -1 0 306.274 -0.409 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN([C@H]3CCN(C)C3=O)CC2)c1[O-] ZINC001480349992 1010615968 /nfs/dbraw/zinc/61/59/68/1010615968.db2.gz PGVWHPYTYWVRRA-JTQLQIEISA-N -1 0 307.354 -0.588 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN([C@@H]3CCCNC3=O)CC2)c1[O-] ZINC001480349443 1010616800 /nfs/dbraw/zinc/61/68/00/1010616800.db2.gz UGZCLJZWNUPTRX-SNVBAGLBSA-N -1 0 307.354 -0.540 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001598556085 1017300045 /nfs/dbraw/zinc/30/00/45/1017300045.db2.gz BGPPONODTPWPBS-OCAPTIKFSA-N -1 0 305.290 -0.590 20 0 DBADRM CN1C(=O)Cc2cc(NC(=O)N3CC(O)(C(=O)[O-])C3)ccc21 ZINC001598552253 1017300075 /nfs/dbraw/zinc/30/00/75/1017300075.db2.gz UQGHFRDGNBPIAB-UHFFFAOYSA-N -1 0 305.290 -0.131 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC001598554159 1017300171 /nfs/dbraw/zinc/30/01/71/1017300171.db2.gz USWSFNBJRMISPA-MDZLAQPJSA-N -1 0 324.308 -0.093 20 0 DBADRM CN1C(=O)COc2ccc(C(=O)N[C@](C)(CO)C(=O)[O-])cc21 ZINC001598552555 1017300225 /nfs/dbraw/zinc/30/02/25/1017300225.db2.gz BITOORSUFGZCKR-CQSZACIVSA-N -1 0 308.290 -0.393 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001450049175 1010622821 /nfs/dbraw/zinc/62/28/21/1010622821.db2.gz JPJWEBAAOIYEAZ-SNXWAXQRSA-N -1 0 322.365 -0.107 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])C1=O ZINC001598555405 1017301734 /nfs/dbraw/zinc/30/17/34/1017301734.db2.gz LVURPRGFPDHXLM-AMDHYVTDSA-N -1 0 323.349 -0.066 20 0 DBADRM CN1C(=O)CN(CC(=O)O[C@@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1=O ZINC001598551942 1017302023 /nfs/dbraw/zinc/30/20/23/1017302023.db2.gz WRSHMUDMMARYQD-ZYUZMQFOSA-N -1 0 310.306 -0.077 20 0 DBADRM CN1CC(=O)N(CC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1=O ZINC001598559440 1017303383 /nfs/dbraw/zinc/30/33/83/1017303383.db2.gz WTWVDYLNVBFRBF-LURJTMIESA-N -1 0 305.237 -0.799 20 0 DBADRM CN1C[C@H](C(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)NC1=O ZINC001598560523 1017303411 /nfs/dbraw/zinc/30/34/11/1017303411.db2.gz RRVVJDNORAYMFU-PWSUYJOCSA-N -1 0 319.317 -0.113 20 0 DBADRM CN1C[C@H](C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)CC1=O ZINC001598561153 1017303835 /nfs/dbraw/zinc/30/38/35/1017303835.db2.gz ZKTXJGOTMNPUMI-VQEBWTGLSA-N -1 0 310.350 -0.007 20 0 DBADRM CCCC[C@@H](CNC(=O)CC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001450251524 1010666409 /nfs/dbraw/zinc/66/64/09/1010666409.db2.gz OSBLXIGQZRBDPG-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccn1 ZINC001450221470 1010667538 /nfs/dbraw/zinc/66/75/38/1010667538.db2.gz YHENVENXRBYOKC-VIFPVBQESA-N -1 0 307.266 -0.885 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cc(F)c(F)cc2N)CC1=O ZINC001598564230 1017308342 /nfs/dbraw/zinc/30/83/42/1017308342.db2.gz YSZBBSZBQDPNNN-SNVBAGLBSA-N -1 0 313.260 -0.086 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@H]2Cc3cc(F)ccc3O2)CC1=O ZINC001598564105 1017308374 /nfs/dbraw/zinc/30/83/74/1017308374.db2.gz WYRLXRJWFUNETN-CMPLNLGQSA-N -1 0 322.292 -0.117 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)CN2CCc3ccccc32)CC1=O ZINC001598564587 1017308527 /nfs/dbraw/zinc/30/85/27/1017308527.db2.gz JEEQJXQPNZJKJF-CYBMUJFWSA-N -1 0 317.345 -0.197 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)Cc2ccc(C=O)cc2)CC1=O ZINC001598565306 1017308649 /nfs/dbraw/zinc/30/86/49/1017308649.db2.gz SJPHYWZRONGMLA-GFCCVEGCSA-N -1 0 304.302 -0.205 20 0 DBADRM CN1C[C@H](NS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1=O ZINC001598567399 1017309567 /nfs/dbraw/zinc/30/95/67/1017309567.db2.gz FDDQFSMCQBLNPP-KXUCPTDWSA-N -1 0 304.368 -0.220 20 0 DBADRM CN1C(=O)C[C@H](C(=O)N[C@H](CO)C(=O)[O-])[C@H]1c1cccnc1 ZINC001598548557 1017297475 /nfs/dbraw/zinc/29/74/75/1017297475.db2.gz DOGZIEWGLNEDFV-HOSYDEDBSA-N -1 0 307.306 -0.837 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001598547061 1017297619 /nfs/dbraw/zinc/29/76/19/1017297619.db2.gz FQXHSPZPEAWLMN-SNVBAGLBSA-N -1 0 321.337 -0.286 20 0 DBADRM CN(c1nc(CC(=O)[O-])cs1)S(=O)(=O)c1cnnn1C ZINC001598546386 1017297704 /nfs/dbraw/zinc/29/77/04/1017297704.db2.gz IAGWYOKQBNUBCG-UHFFFAOYSA-N -1 0 317.352 -0.276 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1=O ZINC001598546054 1017297820 /nfs/dbraw/zinc/29/78/20/1017297820.db2.gz YNUUYWURGLYZLX-UHFFFAOYSA-N -1 0 305.246 -0.256 20 0 DBADRM CCC(=O)N[C@@H](C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001450277348 1010675096 /nfs/dbraw/zinc/67/50/96/1010675096.db2.gz LTQDJQRBMHVZAP-QMMMGPOBSA-N -1 0 308.338 -0.527 20 0 DBADRM O=C(CCC1CC1)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001450309318 1010686928 /nfs/dbraw/zinc/68/69/28/1010686928.db2.gz CBDNQOOTBGQSPZ-UHFFFAOYSA-N -1 0 309.326 -0.794 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001450319799 1010691788 /nfs/dbraw/zinc/69/17/88/1010691788.db2.gz HQPPIGWYPGMIIZ-UHFFFAOYSA-N -1 0 323.353 -0.721 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001450386522 1010715599 /nfs/dbraw/zinc/71/55/99/1010715599.db2.gz GUIAPYYOCKRZOC-SNVBAGLBSA-N -1 0 306.330 -0.920 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1C[C@H](NC(=O)C2CCC2)C1 ZINC001450579274 1010762631 /nfs/dbraw/zinc/76/26/31/1010762631.db2.gz KZNBSKONOBUENU-CZMCAQCFSA-N -1 0 323.353 -0.500 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCc2cncn2C1)Cc1n[nH]c(=O)[n-]1 ZINC001480884230 1010791017 /nfs/dbraw/zinc/79/10/17/1010791017.db2.gz OMOZYRLHPBABCP-SNVBAGLBSA-N -1 0 319.369 -0.483 20 0 DBADRM CN(C(=O)C1CC1)[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001450778632 1010798043 /nfs/dbraw/zinc/79/80/43/1010798043.db2.gz HQUCAICKQVFXIT-SNVBAGLBSA-N -1 0 323.353 -0.548 20 0 DBADRM CN(C(=O)C1CC1)[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001450777947 1010798541 /nfs/dbraw/zinc/79/85/41/1010798541.db2.gz HCPBFVJAOHGFJN-SECBINFHSA-N -1 0 321.337 -0.340 20 0 DBADRM CCC(=O)N(C)C[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001450868849 1010810146 /nfs/dbraw/zinc/81/01/46/1010810146.db2.gz BPLBMGYNJBKPLE-VIFPVBQESA-N -1 0 320.353 -0.556 20 0 DBADRM CCN(CCNC(=O)c1cnc(OC)nc1)Cc1n[nH]c(=O)[n-]1 ZINC001481010399 1010827070 /nfs/dbraw/zinc/82/70/70/1010827070.db2.gz ZWVREVJUVMPZLV-UHFFFAOYSA-N -1 0 321.341 -0.439 20 0 DBADRM Cn1cncc1CC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001481065020 1010833835 /nfs/dbraw/zinc/83/38/35/1010833835.db2.gz KGALYVZCDYUYGI-JTQLQIEISA-N -1 0 319.369 -0.433 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC1(C)C ZINC001451036853 1010841667 /nfs/dbraw/zinc/84/16/67/1010841667.db2.gz IIPLFHNYQKRHSS-YUMQZZPRSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]1CC ZINC001451036589 1010841735 /nfs/dbraw/zinc/84/17/35/1010841735.db2.gz HRQPCUWMRWPINZ-HRDYMLBCSA-N -1 0 323.353 -0.047 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]OCc1ccccn1 ZINC001451094559 1010851148 /nfs/dbraw/zinc/85/11/48/1010851148.db2.gz XXNTVMYGFRKCOY-CYBMUJFWSA-N -1 0 320.349 -0.244 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001481188326 1010855665 /nfs/dbraw/zinc/85/56/65/1010855665.db2.gz OPHHQNMZLIEJSC-LLVKDONJSA-N -1 0 324.385 -0.494 20 0 DBADRM COC(=O)[C@](C)(CO)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001451210899 1010868369 /nfs/dbraw/zinc/86/83/69/1010868369.db2.gz LTDAYNZOESSCLW-AWEZNQCLSA-N -1 0 321.289 -0.316 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)C2CC(C)C2)c1[O-] ZINC001451355372 1010907246 /nfs/dbraw/zinc/90/72/46/1010907246.db2.gz WPBWHYRYCIZLFT-YXGXMSFMSA-N -1 0 310.354 -0.323 20 0 DBADRM O=C(CCc1nnn[n-]1)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC001451365248 1010910455 /nfs/dbraw/zinc/91/04/55/1010910455.db2.gz CDRLKIFHNPDFQI-CYBMUJFWSA-N -1 0 302.294 -0.004 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)CC2CCC2)c1[O-] ZINC001451365469 1010911404 /nfs/dbraw/zinc/91/14/04/1010911404.db2.gz LYQMWKVFFAFQCJ-JTQLQIEISA-N -1 0 310.354 -0.179 20 0 DBADRM CN(C(=O)CCc1cn[nH]n1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481741543 1010985867 /nfs/dbraw/zinc/98/58/67/1010985867.db2.gz NKVDKLCUSGZGKX-SNVBAGLBSA-N -1 0 320.357 -0.706 20 0 DBADRM CCC(=O)NCC(=O)N(CC)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481760980 1010992751 /nfs/dbraw/zinc/99/27/51/1010992751.db2.gz GECVIACASIEITO-JTQLQIEISA-N -1 0 324.385 -0.541 20 0 DBADRM CC(C)[C@@H](CNC(=O)[C@@H]1COCCO1)NC(=O)c1cn[nH]n1 ZINC001451901497 1011070141 /nfs/dbraw/zinc/07/01/41/1011070141.db2.gz OPQSREMDJNURAW-KOLCDFICSA-N -1 0 311.342 -0.909 20 0 DBADRM CC(C)[C@@H](CNC(=O)[C@H]1COCCO1)NC(=O)c1cn[nH]n1 ZINC001451901512 1011070295 /nfs/dbraw/zinc/07/02/95/1011070295.db2.gz OPQSREMDJNURAW-MWLCHTKSSA-N -1 0 311.342 -0.909 20 0 DBADRM Cc1oncc1CN(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001482610263 1011213102 /nfs/dbraw/zinc/21/31/02/1011213102.db2.gz AINVVCCTHXBPPH-UHFFFAOYSA-N -1 0 322.325 -0.217 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC001452369340 1011229670 /nfs/dbraw/zinc/22/96/70/1011229670.db2.gz YNGGFJAOICIJAC-MRVPVSSYSA-N -1 0 320.371 -0.715 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@@]2(C)CNC(=O)C2)c1[O-] ZINC001452489261 1011282397 /nfs/dbraw/zinc/28/23/97/1011282397.db2.gz CJIMFMLGRNESON-NXSYQRQQSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2cnn(C)c2)c1[O-] ZINC001452490743 1011283022 /nfs/dbraw/zinc/28/30/22/1011283022.db2.gz RJFWDAFHKNWMPN-SSDOTTSWSA-N -1 0 306.326 -0.294 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)C[C@@H]2CCC(=O)N2)c1[O-] ZINC001452606646 1011307748 /nfs/dbraw/zinc/30/77/48/1011307748.db2.gz FWSYPUDMSYOQBV-APPZFPTMSA-N -1 0 323.353 -0.673 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC(N2CCOCC2)C1 ZINC001452680455 1011348585 /nfs/dbraw/zinc/34/85/85/1011348585.db2.gz POBCTIIHSDWVLL-UHFFFAOYSA-N -1 0 311.342 -0.988 20 0 DBADRM O=C(NCc1cc(=O)[nH]c(=S)[nH]1)c1c[n-]n2c1nccc2=O ZINC001452721869 1011362143 /nfs/dbraw/zinc/36/21/43/1011362143.db2.gz KHQAYBZFTSQEFP-UHFFFAOYSA-N -1 0 318.318 -0.263 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cccc(F)c2)CC1=O ZINC001598565795 1017310184 /nfs/dbraw/zinc/31/01/84/1017310184.db2.gz JIGPCBQWFHFPKH-SNVBAGLBSA-N -1 0 316.310 -0.258 20 0 DBADRM CN1C[C@H](N2C(=O)[C@@H]3C[C@H](C(=O)[O-])CCN3C2=O)CCC1=O ZINC001598568084 1017311108 /nfs/dbraw/zinc/31/11/08/1017311108.db2.gz NZTHEGRMAGGSPZ-BBBLOLIVSA-N -1 0 309.322 -0.265 20 0 DBADRM CN1C[C@H](NC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)CCC1=O ZINC001598568712 1017311266 /nfs/dbraw/zinc/31/12/66/1017311266.db2.gz UYOBVRLVDTYNIF-SECBINFHSA-N -1 0 321.337 -0.163 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCC(C)(F)F)CC1=O ZINC001598566291 1017311655 /nfs/dbraw/zinc/31/16/55/1017311655.db2.gz SVLKWKNPTFGBEO-ZETCQYMHSA-N -1 0 314.310 -0.411 20 0 DBADRM CN1C[C@H](O)C[C@H]1c1nnc(N2CC[C@](F)(C(=O)[O-])C2)n1C ZINC001598569872 1017314459 /nfs/dbraw/zinc/31/44/59/1017314459.db2.gz OCAKKULYGZPMFO-VYUIOLGVSA-N -1 0 313.333 -0.444 20 0 DBADRM CN1C[C@@H](OC(=O)CS(=O)(=O)C2CC2)C[C@]1(C)C(=O)[O-] ZINC001598572046 1017314523 /nfs/dbraw/zinc/31/45/23/1017314523.db2.gz GZQNQSLJLWIMEN-QPUJVOFHSA-N -1 0 305.352 -0.346 20 0 DBADRM CN1C[C@H](OC(=O)c2ccc(-n3cnnn3)cc2)C[C@@H]1C(=O)[O-] ZINC001598572055 1017314568 /nfs/dbraw/zinc/31/45/68/1017314568.db2.gz CRBBWXAMBRGQJM-VXGBXAGGSA-N -1 0 317.305 -0.024 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])CC1=O ZINC001598581416 1017317555 /nfs/dbraw/zinc/31/75/55/1017317555.db2.gz TWZZTMSUISLKLP-QMTHXVAHSA-N -1 0 308.338 -0.289 20 0 DBADRM CN1CC[C@@](C)(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001598577705 1017318263 /nfs/dbraw/zinc/31/82/63/1017318263.db2.gz JHECGNKKSXWCJA-LKFCYVNXSA-N -1 0 321.337 -0.382 20 0 DBADRM CN1CC[C@@H](C(=O)Nc2ncc(C(=O)[O-])s2)S1(=O)=O ZINC001598577672 1017318465 /nfs/dbraw/zinc/31/84/65/1017318465.db2.gz INYSMIUEMYEXFH-LURJTMIESA-N -1 0 305.337 -0.186 20 0 DBADRM CN1CC[C@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1=O ZINC001598584435 1017319059 /nfs/dbraw/zinc/31/90/59/1017319059.db2.gz URSHYWYHUYXWAY-QMMMGPOBSA-N -1 0 315.351 -0.140 20 0 DBADRM CN1CC[C@H](CNS(=O)(=O)CC(C)(C)C(=O)[O-])CC1=O ZINC001598584509 1017319753 /nfs/dbraw/zinc/31/97/53/1017319753.db2.gz WAJZLCKPANMHIR-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM CN1CC[C@@H](NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1=O ZINC001598585284 1017321306 /nfs/dbraw/zinc/32/13/06/1017321306.db2.gz FKLSGPHGTKNIFS-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM CN([C@H]1CCN(C)C1=O)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001598584931 1017321492 /nfs/dbraw/zinc/32/14/92/1017321492.db2.gz JKXQQWJTFSBFAX-JTQLQIEISA-N -1 0 313.335 -0.369 20 0 DBADRM CN(C(=O)C(=O)Nc1cccc(C(=O)[O-])n1)[C@@H]1CCN(C)C1=O ZINC001598583845 1017321624 /nfs/dbraw/zinc/32/16/24/1017321624.db2.gz NSRWKHKLFKHOIZ-SECBINFHSA-N -1 0 320.305 -0.593 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@@H]1CC12CC2 ZINC001453003480 1011489641 /nfs/dbraw/zinc/48/96/41/1011489641.db2.gz UPYCUJWPEBCHJP-WPRPVWTQSA-N -1 0 320.349 -0.480 20 0 DBADRM CC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001453017743 1011493136 /nfs/dbraw/zinc/49/31/36/1011493136.db2.gz OTCKIDQVDUBBPM-VHSXEESVSA-N -1 0 311.342 -0.500 20 0 DBADRM CC(C)(F)C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001453086264 1011505257 /nfs/dbraw/zinc/50/52/57/1011505257.db2.gz PYPFMBOGJVSILG-ZCFIWIBFSA-N -1 0 313.289 -0.638 20 0 DBADRM COc1ncccc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001483055296 1011648993 /nfs/dbraw/zinc/64/89/93/1011648993.db2.gz XMHJFXKRDBPSMD-IHWYPQMZSA-N -1 0 318.337 -0.010 20 0 DBADRM Cc1cc(OCC(=O)NCC2(NC(=O)c3cn[nH]n3)CC2)no1 ZINC001453422521 1011670798 /nfs/dbraw/zinc/67/07/98/1011670798.db2.gz MCFCGCPLKFJEPP-UHFFFAOYSA-N -1 0 320.309 -0.441 20 0 DBADRM O=C(NCC1(NC(=O)C2CCCC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001453489181 1011697068 /nfs/dbraw/zinc/69/70/68/1011697068.db2.gz ZZHYHMPKJBZVDE-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN[C@@H](C)c2nnnn2C)c1[O-] ZINC001483120952 1011704936 /nfs/dbraw/zinc/70/49/36/1011704936.db2.gz SFTMTDDNDQCQKE-SVRRBLITSA-N -1 0 308.346 -0.584 20 0 DBADRM CCOC(=O)c1cc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)on1 ZINC001453754494 1011811410 /nfs/dbraw/zinc/81/14/10/1011811410.db2.gz ZVRRNOPJMNECQH-ZCFIWIBFSA-N -1 0 310.266 -0.221 20 0 DBADRM Cc1cnc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001483306432 1011834710 /nfs/dbraw/zinc/83/47/10/1011834710.db2.gz FSPIJJCSQOJVLS-VIFPVBQESA-N -1 0 305.342 -0.141 20 0 DBADRM CC(=O)NC[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001454094823 1011865929 /nfs/dbraw/zinc/86/59/29/1011865929.db2.gz RSMLFLBAMICQOH-JTQLQIEISA-N -1 0 311.342 -0.500 20 0 DBADRM CS(=O)(=O)C1(C(=O)NCc2nc([O-])cc(=O)[nH]2)CCC1 ZINC001454188721 1011884687 /nfs/dbraw/zinc/88/46/87/1011884687.db2.gz JTDSPOQUPJXCAC-UHFFFAOYSA-N -1 0 301.324 -0.529 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001454195503 1011885701 /nfs/dbraw/zinc/88/57/01/1011885701.db2.gz DDSSMEIBTIRCGL-UJNFCWOMSA-N -1 0 323.353 -0.644 20 0 DBADRM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)C1(O)CCOCC1 ZINC001454252218 1011893518 /nfs/dbraw/zinc/89/35/18/1011893518.db2.gz AAZRALWRGBDAML-NSHDSACASA-N -1 0 303.322 -0.053 20 0 DBADRM CS(=O)(=O)c1cccnc1C(=O)[N-]n1ccc(=O)[nH]c1=O ZINC001454279089 1011898625 /nfs/dbraw/zinc/89/86/25/1011898625.db2.gz WCLMZCWXYBPOMV-UHFFFAOYSA-N -1 0 310.291 -0.869 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N[C@@](C)(COC)C(=O)[O-] ZINC001595787790 1017100243 /nfs/dbraw/zinc/10/02/43/1017100243.db2.gz RCIWLJSYKHEQHB-NSHDSACASA-N -1 0 310.372 -0.688 20 0 DBADRM CCCCS(=O)(=O)CC(=O)Nc1ccnc(C(=O)[O-])n1 ZINC001595783541 1017100571 /nfs/dbraw/zinc/10/05/71/1017100571.db2.gz NWCFWUBTKYRKPQ-UHFFFAOYSA-N -1 0 301.324 -0.250 20 0 DBADRM CCCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CCN(CC(N)=O)CC1 ZINC001595815190 1017100838 /nfs/dbraw/zinc/10/08/38/1017100838.db2.gz ZWXCPBITYUDAGT-VXGBXAGGSA-N -1 0 311.382 -0.105 20 0 DBADRM CCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001595832286 1017101011 /nfs/dbraw/zinc/10/10/11/1017101011.db2.gz CXAWNNDSZZMYQZ-ZETCQYMHSA-N -1 0 319.339 -0.640 20 0 DBADRM CCCCS(=O)(=O)CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001595783566 1017101699 /nfs/dbraw/zinc/10/16/99/1017101699.db2.gz PRVCKBOHEWZZBY-MWLCHTKSSA-N -1 0 307.368 -0.193 20 0 DBADRM CCCN([C@H]1CC(=O)N(C)C1=O)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001595839963 1017103062 /nfs/dbraw/zinc/10/30/62/1017103062.db2.gz MIJDERQZEMGZEK-IUCAKERBSA-N -1 0 320.367 -0.494 20 0 DBADRM CCCN1C[C@H](C(=O)OCCn2cc(C(=O)[O-])nn2)CC1=O ZINC001595895606 1017103077 /nfs/dbraw/zinc/10/30/77/1017103077.db2.gz FPOHLMUWILLXDZ-SECBINFHSA-N -1 0 310.310 -0.222 20 0 DBADRM CCCN([C@@H]1CC(=O)N(C)C1=O)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001595839964 1017103629 /nfs/dbraw/zinc/10/36/29/1017103629.db2.gz MIJDERQZEMGZEK-RKDXNWHRSA-N -1 0 320.367 -0.494 20 0 DBADRM CCCN1C(=O)C(=O)N(CN2CC[C@](OC)(C(=O)[O-])C2)C1=O ZINC001595894370 1017104039 /nfs/dbraw/zinc/10/40/39/1017104039.db2.gz AOYDDDXVNFFJGL-CYBMUJFWSA-N -1 0 313.310 -0.680 20 0 DBADRM CCCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)CNC(C)=O ZINC001595880162 1017104367 /nfs/dbraw/zinc/10/43/67/1017104367.db2.gz SWSMMQCVSDFCMD-WDEREUQCSA-N -1 0 313.354 -0.802 20 0 DBADRM CCCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)CNC(C)=O ZINC001595880161 1017104700 /nfs/dbraw/zinc/10/47/00/1017104700.db2.gz SWSMMQCVSDFCMD-QWRGUYRKSA-N -1 0 313.354 -0.802 20 0 DBADRM CCCN(CC(=O)N(C)C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001595843321 1017104889 /nfs/dbraw/zinc/10/48/89/1017104889.db2.gz MCXRTHCIDQQNRC-UHFFFAOYSA-N -1 0 318.355 -0.403 20 0 DBADRM CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001454507594 1012017045 /nfs/dbraw/zinc/01/70/45/1012017045.db2.gz LTHGXYVQGHIDTG-JDICNCQASA-N -1 0 321.337 -0.802 20 0 DBADRM CCn1ccc(CC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001483653844 1012019945 /nfs/dbraw/zinc/01/99/45/1012019945.db2.gz VADWKSGKMMRDIM-NSHDSACASA-N -1 0 319.369 -0.340 20 0 DBADRM CCCN1C[C@@H](C(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)CC1=O ZINC001595895631 1017107397 /nfs/dbraw/zinc/10/73/97/1017107397.db2.gz GBGKHJSTEWKYIP-JOYOIKCWSA-N -1 0 308.338 -0.080 20 0 DBADRM CCCN1CCCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1=O ZINC001595909611 1017108046 /nfs/dbraw/zinc/10/80/46/1017108046.db2.gz OAFVQURVPDIZJS-JTQLQIEISA-N -1 0 306.384 -0.019 20 0 DBADRM O=C(c1nccn2ccnc12)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454551874 1012033059 /nfs/dbraw/zinc/03/30/59/1012033059.db2.gz BQKPFSXMONPYAT-QMMMGPOBSA-N -1 0 300.282 -0.544 20 0 DBADRM CCCN1C[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CC1=O ZINC001595896198 1017108566 /nfs/dbraw/zinc/10/85/66/1017108566.db2.gz KHTWZFOTZWERJV-ONGXEEELSA-N -1 0 308.338 -0.220 20 0 DBADRM O=C([C@H]1CCn2ccnc2C1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454554684 1012037638 /nfs/dbraw/zinc/03/76/38/1012037638.db2.gz QTOAGTDTOSLIKP-VHSXEESVSA-N -1 0 303.326 -0.441 20 0 DBADRM O=C(CNC(=O)c1cccs1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454554548 1012037849 /nfs/dbraw/zinc/03/78/49/1012037849.db2.gz DWPBSXAHNBKGJG-QMMMGPOBSA-N -1 0 322.350 -0.409 20 0 DBADRM CCCCC(=O)NC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001454564630 1012042633 /nfs/dbraw/zinc/04/26/33/1012042633.db2.gz WBTUMIZHHZEUBR-VIFPVBQESA-N -1 0 310.354 -0.089 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2ccn(C)n2)c1[O-] ZINC001454597181 1012057907 /nfs/dbraw/zinc/05/79/07/1012057907.db2.gz XHKSEEZYOYMBDS-ZETCQYMHSA-N -1 0 306.326 -0.294 20 0 DBADRM Cc1ncc(CN2CC[C@@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001483697334 1012063720 /nfs/dbraw/zinc/06/37/20/1012063720.db2.gz QSDJGPGZZCYLCF-SECBINFHSA-N -1 0 322.325 -0.624 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(CCO)(CCO)CC1 ZINC001454710497 1012105945 /nfs/dbraw/zinc/10/59/45/1012105945.db2.gz NJXKBZALNNIWDP-UHFFFAOYSA-N -1 0 314.342 -0.937 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCc2nc(C3CC3)ncc2C1 ZINC001454726836 1012111364 /nfs/dbraw/zinc/11/13/64/1012111364.db2.gz CWVMBKPRUPCTMN-UHFFFAOYSA-N -1 0 316.321 -0.058 20 0 DBADRM COc1nccc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001483749986 1012112492 /nfs/dbraw/zinc/11/24/92/1012112492.db2.gz DEKZEYHUMOKFKF-UHFFFAOYSA-N -1 0 319.325 -0.639 20 0 DBADRM O=C(N[C@H]1C[C@@H](CO)C1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001454737523 1012115836 /nfs/dbraw/zinc/11/58/36/1012115836.db2.gz XWKQGCPFOWHPPT-WAAGHKOSSA-N -1 0 304.306 -0.233 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)[C@H]1C[C@@]12CCOC2 ZINC001483782536 1012138575 /nfs/dbraw/zinc/13/85/75/1012138575.db2.gz KFVJTDFYCWUVGD-NOZJJQNGSA-N -1 0 307.354 -0.325 20 0 DBADRM C[C@H](CCNC(=O)CC1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001454959138 1012168609 /nfs/dbraw/zinc/16/86/09/1012168609.db2.gz FFIWLEMHOGSCQB-SECBINFHSA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@@H](C(=O)N1CCC(c2nnn[n-]2)CC1)N1C(=O)CCC1=O ZINC001455024000 1012190672 /nfs/dbraw/zinc/19/06/72/1012190672.db2.gz YBDWLVUTSYOJKS-QMMMGPOBSA-N -1 0 306.326 -0.557 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001455022261 1012192474 /nfs/dbraw/zinc/19/24/74/1012192474.db2.gz PHEWZRRXPZZZPI-MRVPVSSYSA-N -1 0 316.387 -0.767 20 0 DBADRM O=C(CCC(=O)N1CCC(O)CC1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001455131887 1012229026 /nfs/dbraw/zinc/22/90/26/1012229026.db2.gz LQGSNESBDXVZPC-SNVBAGLBSA-N -1 0 322.369 -0.721 20 0 DBADRM COCCn1cc(CNC(=O)c2c[n-]ncc2=O)c(=O)[nH]c1=O ZINC001455139890 1012232902 /nfs/dbraw/zinc/23/29/02/1012232902.db2.gz MZSYYXNCRHAYHI-UHFFFAOYSA-N -1 0 321.293 -0.979 20 0 DBADRM Cc1cc[nH]c1C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001455221399 1012287724 /nfs/dbraw/zinc/28/77/24/1012287724.db2.gz DHFGVTXZKBEDRY-UHFFFAOYSA-N -1 0 322.325 -0.786 20 0 DBADRM C[C@@]1(NC(=O)Cn2ccnc2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484072719 1012297104 /nfs/dbraw/zinc/29/71/04/1012297104.db2.gz ATIKIWPVTJWYQA-CYBMUJFWSA-N -1 0 305.342 -0.512 20 0 DBADRM CN(CCNC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)C(F)F ZINC001455314313 1012334292 /nfs/dbraw/zinc/33/42/92/1012334292.db2.gz ULZXGLMYNJRGGA-UHFFFAOYSA-N -1 0 321.284 -0.691 20 0 DBADRM CC[C@@H](F)C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001455392660 1012376267 /nfs/dbraw/zinc/37/62/67/1012376267.db2.gz GZBAXFBLLJMBFV-SSDOTTSWSA-N -1 0 303.294 -0.988 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc[nH]c1 ZINC001484219883 1012404637 /nfs/dbraw/zinc/40/46/37/1012404637.db2.gz IWXJCLAOVNRGRY-CYBMUJFWSA-N -1 0 306.326 -0.795 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC2(CCNC2=O)CC1 ZINC001455453126 1012407966 /nfs/dbraw/zinc/40/79/66/1012407966.db2.gz JOWSXGWIAHGYHT-UHFFFAOYSA-N -1 0 311.367 -0.269 20 0 DBADRM CC(C)c1nc(CCNC(=O)c2n[nH]c(=O)[n-]c2=O)n(C)n1 ZINC001455669353 1012477368 /nfs/dbraw/zinc/47/73/68/1012477368.db2.gz BSRCSWPDGIYRDE-UHFFFAOYSA-N -1 0 307.314 -0.493 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C[C@H]3CCCOC3)C2)c1[O-] ZINC001484266915 1012491658 /nfs/dbraw/zinc/49/16/58/1012491658.db2.gz BBNJYDCBJAHSRK-LLVKDONJSA-N -1 0 324.381 -0.373 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CCc2nnc(C)n2C1)c1nnn[n-]1 ZINC001455726771 1012493186 /nfs/dbraw/zinc/49/31/86/1012493186.db2.gz DSRDLZGFEUVGDU-RKDXNWHRSA-N -1 0 306.330 -0.834 20 0 DBADRM CCO[C@@H](C(=O)N[C@H](COC)c1nnn[n-]1)C1CCOCC1 ZINC001455730548 1012495994 /nfs/dbraw/zinc/49/59/94/1012495994.db2.gz SCQIPNHMSRBQAS-GHMZBOCLSA-N -1 0 313.358 -0.165 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(CNC(C)=O)cc1)c1nnn[n-]1 ZINC001455732850 1012496279 /nfs/dbraw/zinc/49/62/79/1012496279.db2.gz AAERWPMEFFCZLM-GFCCVEGCSA-N -1 0 318.337 -0.047 20 0 DBADRM CS(=O)(=O)CCCC(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001455745371 1012501892 /nfs/dbraw/zinc/50/18/92/1012501892.db2.gz SLHUJRZOFBIFQS-SNVBAGLBSA-N -1 0 315.399 -0.194 20 0 DBADRM CS(=O)(=O)CCC(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001455747873 1012505237 /nfs/dbraw/zinc/50/52/37/1012505237.db2.gz ZTDHSHGCEGGLOX-SECBINFHSA-N -1 0 301.372 -0.585 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1(F)CCCC1 ZINC001484281385 1012519402 /nfs/dbraw/zinc/51/94/02/1012519402.db2.gz HCOKMSIHLSLLOM-UHFFFAOYSA-N -1 0 313.333 -0.545 20 0 DBADRM Cn1cnnc1CC1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001456031417 1012556888 /nfs/dbraw/zinc/55/68/88/1012556888.db2.gz ZTVDGLCWAPGFJX-UHFFFAOYSA-N -1 0 304.358 -0.258 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCc1noc2c1COCC2 ZINC001456135987 1012566509 /nfs/dbraw/zinc/56/65/09/1012566509.db2.gz FRKIAMIHUVQZLM-UHFFFAOYSA-N -1 0 311.323 -0.021 20 0 DBADRM CC[C@H](F)C(=O)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484439873 1012657964 /nfs/dbraw/zinc/65/79/64/1012657964.db2.gz ILKUMJJCOAHANZ-ZANVPECISA-N -1 0 315.349 -0.299 20 0 DBADRM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NC[C@@H](O)CO ZINC001456723267 1012804563 /nfs/dbraw/zinc/80/45/63/1012804563.db2.gz VPBGMSFDUSUQMV-SECBINFHSA-N -1 0 323.374 -0.455 20 0 DBADRM C[C@H](NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1)c1nn(C)cc1[O-] ZINC001456789831 1012815509 /nfs/dbraw/zinc/81/55/09/1012815509.db2.gz PCBYHOQYDRAUIP-FXBDTBDDSA-N -1 0 306.326 -0.096 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001484707049 1012839166 /nfs/dbraw/zinc/83/91/66/1012839166.db2.gz RZAUXJQPTAQTBA-NSHDSACASA-N -1 0 324.385 -0.541 20 0 DBADRM CN(CCCN(C)C(=O)c1cnn(C)c1N)Cc1n[nH]c(=O)[n-]1 ZINC001484738546 1012845433 /nfs/dbraw/zinc/84/54/33/1012845433.db2.gz OKNRPPQIUKNAPJ-UHFFFAOYSA-N -1 0 322.373 -0.580 20 0 DBADRM CCC(=O)N[C@@](C)(CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001457042401 1012845754 /nfs/dbraw/zinc/84/57/54/1012845754.db2.gz MUHUHZSLCSPPLJ-ZDUSSCGKSA-N -1 0 311.342 -0.500 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1CCCNC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001484746197 1012846192 /nfs/dbraw/zinc/84/61/92/1012846192.db2.gz IQMFMIQMNIHGFC-JTQLQIEISA-N -1 0 324.385 -0.683 20 0 DBADRM CN(CCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ccon1 ZINC001484749401 1012848429 /nfs/dbraw/zinc/84/84/29/1012848429.db2.gz JEPADZZKCGMLAO-UHFFFAOYSA-N -1 0 322.325 -0.135 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001457309451 1012869658 /nfs/dbraw/zinc/86/96/58/1012869658.db2.gz BJBSZAWXZJCEDM-CPOMMVLXSA-N -1 0 322.365 -0.202 20 0 DBADRM O=C(c1ccc2n[nH]nc2n1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001595948618 1017109528 /nfs/dbraw/zinc/10/95/28/1017109528.db2.gz RVFJTWNGOXMCHU-QMMMGPOBSA-N -1 0 313.325 -0.039 20 0 DBADRM CCCn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001596112116 1017112268 /nfs/dbraw/zinc/11/22/68/1017112268.db2.gz ODZDIPDILGWSCW-NEPJUHHUSA-N -1 0 320.349 -0.046 20 0 DBADRM CCCC1N=NC(=S)N1CC(=O)N[C@@H](COC)C(=O)[O-] ZINC001596074881 1017112792 /nfs/dbraw/zinc/11/27/92/1017112792.db2.gz SDUUXTZOROVMOQ-ZETCQYMHSA-N -1 0 302.356 -0.265 20 0 DBADRM CCCC1N=NC(=S)N1CC(=O)NCCOCC(=O)[O-] ZINC001596074575 1017113501 /nfs/dbraw/zinc/11/35/01/1017113501.db2.gz CEINJRRPMGXENK-UHFFFAOYSA-N -1 0 302.356 -0.263 20 0 DBADRM CCCC1N=NC(=S)N1CC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001596074557 1017114091 /nfs/dbraw/zinc/11/40/91/1017114091.db2.gz BDLRBLJHTIUKGV-LLVKDONJSA-N -1 0 302.356 -0.529 20 0 DBADRM CCCC1N=NC(=S)N1CC(=O)NC[C@@H](O)CC(=O)[O-] ZINC001596075025 1017114107 /nfs/dbraw/zinc/11/41/07/1017114107.db2.gz ZTDCWDRYFJIRKG-ZETCQYMHSA-N -1 0 302.356 -0.529 20 0 DBADRM CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC001596149624 1017116481 /nfs/dbraw/zinc/11/64/81/1017116481.db2.gz ZKFPQAULJTYVLG-LPEHRKFASA-N -1 0 301.343 -0.215 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001596184177 1017117238 /nfs/dbraw/zinc/11/72/38/1017117238.db2.gz URHOEFQRWBYZHO-SNVBAGLBSA-N -1 0 313.354 -0.802 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001596180736 1017118335 /nfs/dbraw/zinc/11/83/35/1017118335.db2.gz GJRMMHYZBHGWFT-QMMMGPOBSA-N -1 0 313.310 -0.128 20 0 DBADRM CCN(CC(=O)OC)C(=O)COCc1ocnc1C(=O)[O-] ZINC001596228095 1017119867 /nfs/dbraw/zinc/11/98/67/1017119867.db2.gz DOZZZTZNJPCQLI-UHFFFAOYSA-N -1 0 300.267 -0.089 20 0 DBADRM CCN(CC(C)(C)O)C(=O)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001596229821 1017120794 /nfs/dbraw/zinc/12/07/94/1017120794.db2.gz KFBXMJZFRWGBKA-UHFFFAOYSA-N -1 0 300.355 -0.025 20 0 DBADRM CCN(CC(=O)NC)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001596202964 1017121290 /nfs/dbraw/zinc/12/12/90/1017121290.db2.gz DQSMTNWEWUYSIZ-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM CCN(CC(N)=O)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001596237034 1017122609 /nfs/dbraw/zinc/12/26/09/1017122609.db2.gz HLMFXLZKOKCYDB-CYBMUJFWSA-N -1 0 319.361 -0.168 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001596277231 1017123346 /nfs/dbraw/zinc/12/33/46/1017123346.db2.gz BWSGDPHPASTXOI-WCBMZHEXSA-N -1 0 308.356 -0.984 20 0 DBADRM CCN(CC)C(=O)CN1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001596246154 1017123060 /nfs/dbraw/zinc/12/30/60/1017123060.db2.gz ZJFQMNLJDBTSLH-NXEZZACHSA-N -1 0 311.338 -0.018 20 0 DBADRM CCOC(=O)[C@@H](CSC)NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001596533938 1017157635 /nfs/dbraw/zinc/15/76/35/1017157635.db2.gz DAKUPFYZTLGGCB-JGVFFNPUSA-N -1 0 313.397 -0.079 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)Cn1ccnc1 ZINC001596326026 1017126027 /nfs/dbraw/zinc/12/60/27/1017126027.db2.gz ALMLBCFSGPDGHR-RYUDHWBXSA-N -1 0 322.365 -0.041 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)Cn1ccnc1 ZINC001596326027 1017126641 /nfs/dbraw/zinc/12/66/41/1017126641.db2.gz ALMLBCFSGPDGHR-VXGBXAGGSA-N -1 0 322.365 -0.041 20 0 DBADRM CCN(CCCNC(=O)c1cn[nH]n1)c1ncc(C(=O)[O-])cn1 ZINC001596327398 1017128246 /nfs/dbraw/zinc/12/82/46/1017128246.db2.gz AWAYTZZYYQGOKC-UHFFFAOYSA-N -1 0 319.325 -0.061 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1cn(C)cn1 ZINC001596332556 1017128530 /nfs/dbraw/zinc/12/85/30/1017128530.db2.gz JSQUEEMUUSZQOH-UWVGGRQHSA-N -1 0 308.338 -0.281 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1cnon1 ZINC001596327351 1017129213 /nfs/dbraw/zinc/12/92/13/1017129213.db2.gz ZBWDVSIYZMFMQW-DTWKUNHWSA-N -1 0 310.310 -0.241 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1cn(C)cn1 ZINC001596332559 1017129655 /nfs/dbraw/zinc/12/96/55/1017129655.db2.gz JSQUEEMUUSZQOH-ZJUUUORDSA-N -1 0 308.338 -0.281 20 0 DBADRM CCN(CCNC(=O)c1cnn(C)c1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596334745 1017130804 /nfs/dbraw/zinc/13/08/04/1017130804.db2.gz CDWWEMBJMFGMMX-QWRGUYRKSA-N -1 0 308.338 -0.281 20 0 DBADRM CCN(CCNC(=O)c1cnnn1C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596335362 1017130891 /nfs/dbraw/zinc/13/08/91/1017130891.db2.gz NEJKCHDBOYLHKX-BDAKNGLRSA-N -1 0 309.326 -0.886 20 0 DBADRM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@@H]1COC(=O)N1 ZINC001596340479 1017131340 /nfs/dbraw/zinc/13/13/40/1017131340.db2.gz AIMQUFHFHSBGGB-VIFPVBQESA-N -1 0 323.309 -0.456 20 0 DBADRM CCN(OC)C(=O)CNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001596380389 1017133105 /nfs/dbraw/zinc/13/31/05/1017133105.db2.gz GAEBDNSNEJHHNB-LLVKDONJSA-N -1 0 317.342 -0.737 20 0 DBADRM CCN(Cc1cn(CC(=O)[O-])nn1)[C@@H](C)CS(C)(=O)=O ZINC001596378732 1017133506 /nfs/dbraw/zinc/13/35/06/1017133506.db2.gz SSUBNJXEEGXDOD-VIFPVBQESA-N -1 0 304.372 -0.382 20 0 DBADRM CCN(CCOCCO)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001596345802 1017134027 /nfs/dbraw/zinc/13/40/27/1017134027.db2.gz UXIHMFABKCDNSU-UHFFFAOYSA-N -1 0 300.315 -0.019 20 0 DBADRM CCN(CCO)C(=O)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001596341182 1017134179 /nfs/dbraw/zinc/13/41/79/1017134179.db2.gz SMCBGXKQVIJTRG-UHFFFAOYSA-N -1 0 308.334 -0.116 20 0 DBADRM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)c1cn(C)nn1 ZINC001596341228 1017134541 /nfs/dbraw/zinc/13/45/41/1017134541.db2.gz VHOYJKTURXIXBX-UHFFFAOYSA-N -1 0 319.325 -0.123 20 0 DBADRM CCN(c1ncc(C(=O)[O-])cn1)[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001596388031 1017134673 /nfs/dbraw/zinc/13/46/73/1017134673.db2.gz HIJGLVLPAPVMCU-MRVPVSSYSA-N -1 0 319.325 -0.062 20 0 DBADRM CCN(OC)C(=O)CN1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001596380517 1017134776 /nfs/dbraw/zinc/13/47/76/1017134776.db2.gz LOTCZTJENQOELP-IUCAKERBSA-N -1 0 313.310 -0.476 20 0 DBADRM CCN(CCSC)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001596347260 1017134994 /nfs/dbraw/zinc/13/49/94/1017134994.db2.gz NUIOUJPAYZRBAD-UWVGGRQHSA-N -1 0 318.395 -0.508 20 0 DBADRM CCN(CCS(C)(=O)=O)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001596346858 1017135012 /nfs/dbraw/zinc/13/50/12/1017135012.db2.gz JJYQUHCTXIPEDF-UHFFFAOYSA-N -1 0 303.340 -0.526 20 0 DBADRM CCN(CCS(C)(=O)=O)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001596347559 1017135034 /nfs/dbraw/zinc/13/50/34/1017135034.db2.gz SCMKKRQKBFRDFW-UHFFFAOYSA-N -1 0 313.397 -0.310 20 0 DBADRM CCN1C[C@@H](C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])CC1=O ZINC001596394343 1017136074 /nfs/dbraw/zinc/13/60/74/1017136074.db2.gz HOZIXMHTOOUYOP-IINYFYTJSA-N -1 0 308.338 -0.289 20 0 DBADRM CCN1C[C@@H](C(=O)N(CCC(=O)[O-])CC(OC)OC)CC1=O ZINC001596394823 1017136680 /nfs/dbraw/zinc/13/66/80/1017136680.db2.gz NSZSRLXSWUIPFW-JTQLQIEISA-N -1 0 316.354 -0.223 20 0 DBADRM CCN1CC[C@H](NC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)C1=O ZINC001596409084 1017139069 /nfs/dbraw/zinc/13/90/69/1017139069.db2.gz JQATUIMGRADXPD-VIFPVBQESA-N -1 0 321.337 -0.163 20 0 DBADRM CCN1CC[C@H]1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001596414323 1017139172 /nfs/dbraw/zinc/13/91/72/1017139172.db2.gz CCCARUTUUDZNHM-SWLSCSKDSA-N -1 0 311.382 -0.532 20 0 DBADRM CCN1CCN(C(=O)[C@H](C)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1 ZINC001596427561 1017142282 /nfs/dbraw/zinc/14/22/82/1017142282.db2.gz HKLOXPMKYZIADK-AGIUHOORSA-N -1 0 313.398 -0.287 20 0 DBADRM CCN1CCCN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1=O ZINC001596425742 1017143336 /nfs/dbraw/zinc/14/33/36/1017143336.db2.gz XHOGVSBQARJKMV-LLVKDONJSA-N -1 0 323.349 -0.643 20 0 DBADRM CCN1CCCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1=O ZINC001596425988 1017143750 /nfs/dbraw/zinc/14/37/50/1017143750.db2.gz MXOITBVJYPKKGJ-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC001596442365 1017145779 /nfs/dbraw/zinc/14/57/79/1017145779.db2.gz JIAJRZRLLQYVHN-JTNHKYCSSA-N -1 0 300.355 -0.202 20 0 DBADRM CCN1CCO[C@@H](C(=O)N2CCSC[C@@H](C(=O)[O-])C2)C1 ZINC001596442691 1017146795 /nfs/dbraw/zinc/14/67/95/1017146795.db2.gz OPPRENZZYXYYBB-WDEREUQCSA-N -1 0 302.396 -0.017 20 0 DBADRM CCN1CCN(CC(=O)OC2CC(CC(=O)[O-])C2)C(=O)C1=O ZINC001596434795 1017146956 /nfs/dbraw/zinc/14/69/56/1017146956.db2.gz XGWDTUHTFGGGOJ-UHFFFAOYSA-N -1 0 312.322 -0.526 20 0 DBADRM CCNC(=O)[C@H](C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001596451869 1017149223 /nfs/dbraw/zinc/14/92/23/1017149223.db2.gz LBRUECWRJMQNIX-LURJTMIESA-N -1 0 304.328 -0.781 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)c2ccoc2CC(=O)[O-])CC1 ZINC001596461866 1017151450 /nfs/dbraw/zinc/15/14/50/1017151450.db2.gz MZVKKNUPYIRDAI-UHFFFAOYSA-N -1 0 323.349 -0.199 20 0 DBADRM CCNC(=O)N1CCN([C@H](CCC(=O)[O-])C(=O)OC)CC1 ZINC001596468367 1017151966 /nfs/dbraw/zinc/15/19/66/1017151966.db2.gz IZXJVIJHUBPSID-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CCNC(=O)NCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001596470723 1017152608 /nfs/dbraw/zinc/15/26/08/1017152608.db2.gz FOZHSMSUODGDSI-UHFFFAOYSA-N -1 0 316.339 -0.623 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC001596461813 1017152694 /nfs/dbraw/zinc/15/26/94/1017152694.db2.gz KZOZHJSTCQKBRQ-UHFFFAOYSA-N -1 0 309.366 -0.478 20 0 DBADRM CCOC(=O)[C@H](CC)C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001596526316 1017155289 /nfs/dbraw/zinc/15/52/89/1017155289.db2.gz RWGJOJREZPSBRU-BBBLOLIVSA-N -1 0 315.322 -0.092 20 0 DBADRM CCOC(=O)[C@@](C)(O)CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001596516342 1017155391 /nfs/dbraw/zinc/15/53/91/1017155391.db2.gz LBCBZIKDVZPUGI-RBZYPMLTSA-N -1 0 317.338 -0.171 20 0 DBADRM CCOC(=O)[C@]1(C)CN(S(=O)(=O)C[C@H](C)C(=O)[O-])CCO1 ZINC001596553918 1017157733 /nfs/dbraw/zinc/15/77/33/1017157733.db2.gz YICUBFBXXXVMEW-CABZTGNLSA-N -1 0 323.367 -0.309 20 0 DBADRM CCOC(=O)[C@@H](CSC)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001596534218 1017158023 /nfs/dbraw/zinc/15/80/23/1017158023.db2.gz HNHATIVPYCYBEQ-SECBINFHSA-N -1 0 315.351 -0.008 20 0 DBADRM CCOC(=O)[C@H]1CN(Cn2cnc(C(=O)[O-])n2)CC12COC2 ZINC001596585235 1017160358 /nfs/dbraw/zinc/16/03/58/1017160358.db2.gz KNCSSWJINGWEOQ-SECBINFHSA-N -1 0 310.310 -0.555 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001596594107 1017162201 /nfs/dbraw/zinc/16/22/01/1017162201.db2.gz FAIMQHOXPHZGDN-VIFPVBQESA-N -1 0 303.311 -0.702 20 0 DBADRM CCOC(=O)N1C[C@H](NC(=O)[C@H](CC)C(=O)[O-])[C@@H](CO)C1 ZINC001596642460 1017165263 /nfs/dbraw/zinc/16/52/63/1017165263.db2.gz BKBWACNHKTWSLP-UTLUCORTSA-N -1 0 302.327 -0.337 20 0 DBADRM CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)C(=O)[O-] ZINC001596665472 1017168055 /nfs/dbraw/zinc/16/80/55/1017168055.db2.gz YLQMUVCJFOKWBA-NWDGAFQWSA-N -1 0 324.333 -0.095 20 0 DBADRM CCOC(=O)c1cnn2c1nccc2C(=O)N[C@H](CO)C(=O)[O-] ZINC001596742903 1017168705 /nfs/dbraw/zinc/16/87/05/1017168705.db2.gz FCCJTUJZJPVHEL-MRVPVSSYSA-N -1 0 322.277 -0.919 20 0 DBADRM CCOC(=O)c1nc[nH]c1CNS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001596690986 1017168491 /nfs/dbraw/zinc/16/84/91/1017168491.db2.gz BONVAKANSBENCT-SSDOTTSWSA-N -1 0 319.339 -0.274 20 0 DBADRM CCO[C@@H](C(=O)N(CC(=O)[O-])CC(=O)OC)[C@H]1CCOC1 ZINC001596760347 1017169026 /nfs/dbraw/zinc/16/90/26/1017169026.db2.gz AQLGITLLTKXYFK-JOYOIKCWSA-N -1 0 303.311 -0.486 20 0 DBADRM CCOC1(C(=O)OCC(=O)NCCC(=O)[O-])CCOCC1 ZINC001596798659 1017170104 /nfs/dbraw/zinc/17/01/04/1017170104.db2.gz QNROXFYCJNRDLX-UHFFFAOYSA-N -1 0 303.311 -0.294 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)N2CC(O)(C(=O)[O-])C2)[C@]12CCCO2 ZINC001596818050 1017170155 /nfs/dbraw/zinc/17/01/55/1017170155.db2.gz OSCYEDMKDCATFK-GPCCPHFNSA-N -1 0 314.338 -0.446 20 0 DBADRM CCOC1(C)CN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001596797139 1017170634 /nfs/dbraw/zinc/17/06/34/1017170634.db2.gz BZKZVNFFOCWOPL-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001596796328 1017171593 /nfs/dbraw/zinc/17/15/93/1017171593.db2.gz GIYOZIVLDJGENK-DOLQZWNJSA-N -1 0 305.352 -0.632 20 0 DBADRM CCOCC(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C[C@H]1O ZINC001596862487 1017173641 /nfs/dbraw/zinc/17/36/41/1017173641.db2.gz VODBRSWXKUCRCY-GHMZBOCLSA-N -1 0 324.337 -0.733 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001596872255 1017176691 /nfs/dbraw/zinc/17/66/91/1017176691.db2.gz FKZKFKZLUOOQQZ-NXEZZACHSA-N -1 0 322.383 -0.353 20 0 DBADRM CCOC[C@@H]1CN(C(=O)Cn2cccc(C(=O)[O-])c2=O)CCO1 ZINC001596895869 1017177714 /nfs/dbraw/zinc/17/77/14/1017177714.db2.gz ACHDRWVNCXYTTB-NSHDSACASA-N -1 0 324.333 -0.190 20 0 DBADRM CCOC[C@H]1CN([C@H]2CCN(CCC(=O)[O-])C2=O)CCO1 ZINC001596897080 1017178108 /nfs/dbraw/zinc/17/81/08/1017178108.db2.gz VYBCMERWEJXNEZ-NEPJUHHUSA-N -1 0 300.355 -0.201 20 0 DBADRM CCOCCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C[C@H]21 ZINC001596897222 1017178543 /nfs/dbraw/zinc/17/85/43/1017178543.db2.gz NABVZMSCSATACO-YFVNTRNASA-N -1 0 310.350 -0.293 20 0 DBADRM CCOCCOCCNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001596938487 1017181479 /nfs/dbraw/zinc/18/14/79/1017181479.db2.gz WYARBQIETXSMJW-GHMZBOCLSA-N -1 0 316.354 -0.665 20 0 DBADRM CCOCCOC[C@@H](O)CNC(=O)c1ccc(C(=O)[O-])n1C ZINC001596933804 1017181521 /nfs/dbraw/zinc/18/15/21/1017181521.db2.gz BSXWAPOCWJFWPC-JTQLQIEISA-N -1 0 314.338 -0.133 20 0 DBADRM CCOCCOCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001596938034 1017181931 /nfs/dbraw/zinc/18/19/31/1017181931.db2.gz NMOKZGITQYLIAT-NSHDSACASA-N -1 0 304.343 -0.075 20 0 DBADRM CCOCCOCC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001596935142 1017182021 /nfs/dbraw/zinc/18/20/21/1017182021.db2.gz KNMRJCNFAKBZIH-MNOVXSKESA-N -1 0 317.338 -0.096 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001596980442 1017183245 /nfs/dbraw/zinc/18/32/45/1017183245.db2.gz CFQJRRFDPZJOPF-GWOFURMSSA-N -1 0 302.327 -0.733 20 0 DBADRM CCO[C@H]1C[C@@H](NC(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001596986275 1017183322 /nfs/dbraw/zinc/18/33/22/1017183322.db2.gz IIGLHZLRFGREOE-AOOOYVTPSA-N -1 0 301.343 -0.166 20 0 DBADRM CCO[C@@H]1COC[C@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001596980851 1017184241 /nfs/dbraw/zinc/18/42/41/1017184241.db2.gz NZQJHEZTQBXARD-GHMZBOCLSA-N -1 0 322.383 -0.579 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001596980858 1017184604 /nfs/dbraw/zinc/18/46/04/1017184604.db2.gz OMDOHJRDANKJAI-GWOFURMSSA-N -1 0 302.327 -0.421 20 0 DBADRM CCON(CC)C(=O)CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001596964571 1017184678 /nfs/dbraw/zinc/18/46/78/1017184678.db2.gz XNOYGGNAJXKPPY-FXPVBKGRSA-N -1 0 302.327 -0.219 20 0 DBADRM CCOc1ccncc1S(=O)(=O)NC[C@H](O)CC(=O)[O-] ZINC001597186167 1017186383 /nfs/dbraw/zinc/18/63/83/1017186383.db2.gz JVWRNAZEYHVNGB-MRVPVSSYSA-N -1 0 304.324 -0.406 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001597186557 1017186400 /nfs/dbraw/zinc/18/64/00/1017186400.db2.gz OKFABRKTBQUWGE-UHFFFAOYSA-N -1 0 302.308 -0.700 20 0 DBADRM CCOc1cnc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)cn1 ZINC001597186525 1017187286 /nfs/dbraw/zinc/18/72/86/1017187286.db2.gz WGDZVIXFOLJQTB-IUCAKERBSA-N -1 0 323.305 -0.179 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCCOCC(=O)[O-] ZINC001597207437 1017188306 /nfs/dbraw/zinc/18/83/06/1017188306.db2.gz GLYMSBAYFSPTCL-VIFPVBQESA-N -1 0 310.372 -0.448 20 0 DBADRM CCS(=O)(=O)CCN1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001597209830 1017188346 /nfs/dbraw/zinc/18/83/46/1017188346.db2.gz OHHGBCOWMBKDSP-VHSXEESVSA-N -1 0 307.368 -0.241 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001597208510 1017188373 /nfs/dbraw/zinc/18/83/73/1017188373.db2.gz VPVWYUMEKCDRNA-QMMMGPOBSA-N -1 0 309.340 -0.856 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)N[C@@H](CF)C(=O)[O-])CC1 ZINC001597215642 1017189708 /nfs/dbraw/zinc/18/97/08/1017189708.db2.gz BPPQVMGVNGDOJI-VIFPVBQESA-N -1 0 310.347 -0.413 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001597250274 1017195589 /nfs/dbraw/zinc/19/55/89/1017195589.db2.gz QAQCSMUVQSTVMS-ODXCJYRJSA-N -1 0 304.368 -0.806 20 0 DBADRM CC[C@@H]1C(=O)NCCCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001597293929 1017195677 /nfs/dbraw/zinc/19/56/77/1017195677.db2.gz UUNYNPNHLKOTLB-GFCCVEGCSA-N -1 0 311.382 -0.090 20 0 DBADRM CCc1cc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n(C)n1 ZINC001597426717 1017197961 /nfs/dbraw/zinc/19/79/61/1017197961.db2.gz KTDRTNUPIGBGRT-GHMZBOCLSA-N -1 0 322.365 -0.109 20 0 DBADRM CCc1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc(=O)[nH]1 ZINC001597427850 1017198161 /nfs/dbraw/zinc/19/81/61/1017198161.db2.gz PCNPHQZJZGVIIL-SNVBAGLBSA-N -1 0 307.306 -0.235 20 0 DBADRM CCc1cc(CNC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001597471272 1017198798 /nfs/dbraw/zinc/19/87/98/1017198798.db2.gz ZSAUBGXRZGVWMS-DKTWLAJQSA-N -1 0 308.338 -0.090 20 0 DBADRM CCc1c[nH]c(CC(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)n1 ZINC001597626076 1017202064 /nfs/dbraw/zinc/20/20/64/1017202064.db2.gz JHAVYHRZPYNUEV-UWVGGRQHSA-N -1 0 309.322 -0.153 20 0 DBADRM CCc1nc[nH]c1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001597698055 1017203908 /nfs/dbraw/zinc/20/39/08/1017203908.db2.gz VAQKMFDQOHGRKK-OAHLLOKOSA-N -1 0 322.365 -0.026 20 0 DBADRM CCc1nnc(CN2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001597728325 1017205812 /nfs/dbraw/zinc/20/58/12/1017205812.db2.gz BJWGMBJEJDZLBC-ZJUUUORDSA-N -1 0 308.338 -0.005 20 0 DBADRM CCn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1[C@@]1(O)CCOC1 ZINC001597858251 1017208008 /nfs/dbraw/zinc/20/80/08/1017208008.db2.gz CBJNQEQBOYNFMD-NOZJJQNGSA-N -1 0 312.326 -0.804 20 0 DBADRM CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001597868986 1017208769 /nfs/dbraw/zinc/20/87/69/1017208769.db2.gz QJGRFZZFXOQFQY-IUCAKERBSA-N -1 0 309.326 -0.461 20 0 DBADRM CCn1c(N)c(C(=O)CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001597858257 1017208992 /nfs/dbraw/zinc/20/89/92/1017208992.db2.gz CDDNYXHKZMOARA-OCAPTIKFSA-N -1 0 324.337 -0.471 20 0 DBADRM CCn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1[C@]1(O)CCOC1 ZINC001597858254 1017209397 /nfs/dbraw/zinc/20/93/97/1017209397.db2.gz CBJNQEQBOYNFMD-ZANVPECISA-N -1 0 312.326 -0.804 20 0 DBADRM CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001597842810 1017209687 /nfs/dbraw/zinc/20/96/87/1017209687.db2.gz CFEQONNIIZCQSB-BBBLOLIVSA-N -1 0 323.353 -0.073 20 0 DBADRM CCn1cc(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)OC)nn1 ZINC001597881080 1017210559 /nfs/dbraw/zinc/21/05/59/1017210559.db2.gz SVEHDLGYBITVJZ-GXSJLCMTSA-N -1 0 324.337 -0.295 20 0 DBADRM CCn1cc(CC(=O)N(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001597881346 1017210744 /nfs/dbraw/zinc/21/07/44/1017210744.db2.gz XJLJHZWVNQVBDB-QWRGUYRKSA-N -1 0 323.353 -0.864 20 0 DBADRM CCn1cc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001597875363 1017211337 /nfs/dbraw/zinc/21/13/37/1017211337.db2.gz JPFVBAAYHVSXPK-OAHLLOKOSA-N -1 0 322.365 -0.096 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)cn1 ZINC001597898103 1017212041 /nfs/dbraw/zinc/21/20/41/1017212041.db2.gz FTJRTHAIMYXJRP-LLVKDONJSA-N -1 0 303.340 -0.327 20 0 DBADRM CCn1cc(CNC(=O)c2cccc(C(=O)[O-])n2)c(=O)[nH]c1=O ZINC001597889803 1017212264 /nfs/dbraw/zinc/21/22/64/1017212264.db2.gz WDMKQYXVXYZCPY-UHFFFAOYSA-N -1 0 318.289 -0.008 20 0 DBADRM CCn1ccc(CN2CC(O)(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001597904234 1017213509 /nfs/dbraw/zinc/21/35/09/1017213509.db2.gz FMRSLBCKPWPZPK-NWDGAFQWSA-N -1 0 322.365 -0.713 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cn1 ZINC001597898322 1017213581 /nfs/dbraw/zinc/21/35/81/1017213581.db2.gz UXWPACBBQJUPKT-ZJUUUORDSA-N -1 0 303.340 -0.498 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001597898319 1017214208 /nfs/dbraw/zinc/21/42/08/1017214208.db2.gz UXWPACBBQJUPKT-NXEZZACHSA-N -1 0 303.340 -0.498 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])nc1C ZINC001597898256 1017214360 /nfs/dbraw/zinc/21/43/60/1017214360.db2.gz NXCOJAOHXACEPO-ONGXEEELSA-N -1 0 317.367 -0.190 20 0 DBADRM CCn1cnc(C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001597917066 1017214380 /nfs/dbraw/zinc/21/43/80/1017214380.db2.gz UGTMVGHQRUNTRQ-WDEREUQCSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1ccc(CC(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])n1 ZINC001597904828 1017214784 /nfs/dbraw/zinc/21/47/84/1017214784.db2.gz PFOIMVAEUXEYMA-UHFFFAOYSA-N -1 0 323.309 -0.123 20 0 DBADRM CCn1ccc(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001597905210 1017214801 /nfs/dbraw/zinc/21/48/01/1017214801.db2.gz WDMYWYBIFCHDIP-SNVBAGLBSA-N -1 0 315.351 -0.844 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)nc1C ZINC001597898249 1017215133 /nfs/dbraw/zinc/21/51/33/1017215133.db2.gz NSJSNDSDSZMTPL-LBPRGKRZSA-N -1 0 317.367 -0.019 20 0 DBADRM CCn1ccc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1 ZINC001597904505 1017215171 /nfs/dbraw/zinc/21/51/71/1017215171.db2.gz LOIVJLQUVHWNEX-LLVKDONJSA-N -1 0 308.338 -0.158 20 0 DBADRM CCn1cnc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001597917233 1017215919 /nfs/dbraw/zinc/21/59/19/1017215919.db2.gz YBBNGGOSZWYIFT-UWVGGRQHSA-N -1 0 306.322 -0.436 20 0 DBADRM CCn1nc(C)cc1NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001597945348 1017216296 /nfs/dbraw/zinc/21/62/96/1017216296.db2.gz ZDIUVDYWFXRBSW-SNVBAGLBSA-N -1 0 324.337 -0.148 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)c1C ZINC001597939275 1017216493 /nfs/dbraw/zinc/21/64/93/1017216493.db2.gz OYEMVEHVVVLKOV-UHFFFAOYSA-N -1 0 303.340 -0.660 20 0 DBADRM CCn1[nH]c(C)nc1=NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001597945283 1017216612 /nfs/dbraw/zinc/21/66/12/1017216612.db2.gz XRZUIAKFKRJESQ-IINYFYTJSA-N -1 0 323.353 -0.017 20 0 DBADRM CCn1cnc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001597917235 1017216866 /nfs/dbraw/zinc/21/68/66/1017216866.db2.gz YBBNGGOSZWYIFT-ZJUUUORDSA-N -1 0 306.322 -0.436 20 0 DBADRM CCn1nc(C)c(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001597928841 1017216961 /nfs/dbraw/zinc/21/69/61/1017216961.db2.gz XMUGTFDJIVTPGU-UWVGGRQHSA-N -1 0 321.337 -0.732 20 0 DBADRM CCn1nc(C(=O)N(CC(=O)[O-])C2CCOCC2)ccc1=O ZINC001597926940 1017217268 /nfs/dbraw/zinc/21/72/68/1017217268.db2.gz POUAWBGETMVMOS-UHFFFAOYSA-N -1 0 309.322 -0.031 20 0 DBADRM CCn1nc(C)c(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001597928832 1017217695 /nfs/dbraw/zinc/21/76/95/1017217695.db2.gz XMUGTFDJIVTPGU-NXEZZACHSA-N -1 0 321.337 -0.732 20 0 DBADRM CCn1ncc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001597951090 1017218632 /nfs/dbraw/zinc/21/86/32/1017218632.db2.gz XASPCPJAIGRPKM-NXEZZACHSA-N -1 0 323.353 -0.451 20 0 DBADRM CCn1ncc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)n1 ZINC001597953380 1017218797 /nfs/dbraw/zinc/21/87/97/1017218797.db2.gz FTBFDTIVHZHEAJ-UHFFFAOYSA-N -1 0 305.298 -0.950 20 0 DBADRM CCn1ncc(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])n1 ZINC001597956856 1017219360 /nfs/dbraw/zinc/21/93/60/1017219360.db2.gz GQILOCTYNLXMMN-JTQLQIEISA-N -1 0 302.356 -0.628 20 0 DBADRM CCn1ncc(C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)n1 ZINC001597951243 1017219676 /nfs/dbraw/zinc/21/96/76/1017219676.db2.gz ZCIFNASQDKLCGR-UHFFFAOYSA-N -1 0 319.325 -0.608 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)n1 ZINC001597957091 1017220206 /nfs/dbraw/zinc/22/02/06/1017220206.db2.gz LZUZWSANCZDSLD-WPRPVWTQSA-N -1 0 309.326 -0.764 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)n1 ZINC001597957088 1017220271 /nfs/dbraw/zinc/22/02/71/1017220271.db2.gz LZUZWSANCZDSLD-SCZZXKLOSA-N -1 0 309.326 -0.764 20 0 DBADRM CCn1nncc1CN1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001597976014 1017221023 /nfs/dbraw/zinc/22/10/23/1017221023.db2.gz PVWWVWRLAADHLR-WCBMZHEXSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1nnc(C)c1CN(CCN1CCOCC1)CC(=O)[O-] ZINC001597973053 1017222160 /nfs/dbraw/zinc/22/21/60/1017222160.db2.gz OQGIOPFDHKQXKG-UHFFFAOYSA-N -1 0 311.386 -0.175 20 0 DBADRM CCn1nncc1C(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001597973829 1017222567 /nfs/dbraw/zinc/22/25/67/1017222567.db2.gz HCVYQDMMQACWEV-BDAKNGLRSA-N -1 0 310.310 -0.224 20 0 DBADRM CCn1nncc1C(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001597973664 1017222668 /nfs/dbraw/zinc/22/26/68/1017222668.db2.gz DUWNFGJJDORDFI-BDAKNGLRSA-N -1 0 321.337 -0.603 20 0 DBADRM CN(C(=O)C(=O)N[C@@H]1CCC[C@H]1CCO)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597982865 1017223987 /nfs/dbraw/zinc/22/39/87/1017223987.db2.gz PLDSRSBWRWKJIG-NNYUYHANSA-N -1 0 312.366 -0.025 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@@H](CC(N)=O)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597982628 1017224118 /nfs/dbraw/zinc/22/41/18/1017224118.db2.gz QQXGJUAQBNQUSX-LPEHRKFASA-N -1 0 311.338 -0.968 20 0 DBADRM CN(C(=O)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597981693 1017224467 /nfs/dbraw/zinc/22/44/67/1017224467.db2.gz FTEPFJXDKXVHOI-QCECGRHHSA-N -1 0 322.361 -0.152 20 0 DBADRM CN(C(=O)[C@H]([NH3+])CCC(=O)[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC001597991582 1017224910 /nfs/dbraw/zinc/22/49/10/1017224910.db2.gz QAJZOVFXYCQRPP-VWYCJHECSA-N -1 0 320.411 -0.007 20 0 DBADRM CC(=O)c1ccc([O-])c(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c1 ZINC001598064521 1017230742 /nfs/dbraw/zinc/23/07/42/1017230742.db2.gz WJSXFCQGVKQGEO-UHFFFAOYSA-N -1 0 319.273 -0.046 20 0 DBADRM CN(C)C(=O)N[C@H]1CCCN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC001598139492 1017237956 /nfs/dbraw/zinc/23/79/56/1017237956.db2.gz PQRUVVUSSGTLAQ-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CN(CC(=O)N1CCCC1)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598381038 1017259512 /nfs/dbraw/zinc/25/95/12/1017259512.db2.gz VJVYXXBXRBDRLW-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM CN(C[C@@H]1CCC[C@@H]1O)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598454224 1017269437 /nfs/dbraw/zinc/26/94/37/1017269437.db2.gz CDGXIZBOESZJAF-SRVKXCTJSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001598500814 1017292447 /nfs/dbraw/zinc/29/24/47/1017292447.db2.gz ZWNSVWOHUIUJQH-RGOKHQFPSA-N -1 0 319.383 -0.584 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)C(F)(F)c2nccs2)CC1=O ZINC001598563352 1017305046 /nfs/dbraw/zinc/30/50/46/1017305046.db2.gz PWRLBWHUVHZGQO-LURJTMIESA-N -1 0 319.289 -0.011 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cccc3nccnc32)CC1=O ZINC001598562287 1017305386 /nfs/dbraw/zinc/30/53/86/1017305386.db2.gz JACWUNJMTVMOBP-LLVKDONJSA-N -1 0 314.301 -0.003 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccnc3ccncc32)CC1=O ZINC001598562682 1017305524 /nfs/dbraw/zinc/30/55/24/1017305524.db2.gz LCUUULQMFDSRSN-LBPRGKRZSA-N -1 0 314.301 -0.003 20 0 DBADRM Cn1nc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c2ccccc21 ZINC001598562376 1017306472 /nfs/dbraw/zinc/30/64/72/1017306472.db2.gz AMEUJMYYCAAQMP-LLVKDONJSA-N -1 0 316.317 -0.059 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3nccnc3c2)CC1=O ZINC001598562105 1017306480 /nfs/dbraw/zinc/30/64/80/1017306480.db2.gz HRLUPWVAOXTVFM-LBPRGKRZSA-N -1 0 314.301 -0.003 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)COCc2ccccc2)CC1=O ZINC001598565236 1017307513 /nfs/dbraw/zinc/30/75/13/1017307513.db2.gz RDLVGMGMXGCAOL-LBPRGKRZSA-N -1 0 306.318 -0.043 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cncc3[nH]ccc32)CC1=O ZINC001598563809 1017307604 /nfs/dbraw/zinc/30/76/04/1017307604.db2.gz NRQFFWDCXSGCHJ-LLVKDONJSA-N -1 0 302.290 -0.070 20 0 DBADRM CN1CC[C@@H]1CNC(=O)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001598589387 1017324483 /nfs/dbraw/zinc/32/44/83/1017324483.db2.gz ZWDMIFUIUNKIQA-CYBMUJFWSA-N -1 0 319.361 -0.136 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1=O ZINC001598588336 1017325298 /nfs/dbraw/zinc/32/52/98/1017325298.db2.gz WKQXRWGNBGDLJH-LURJTMIESA-N -1 0 302.312 -0.993 20 0 DBADRM CN1CCC[C@H](OC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1=O ZINC001598593560 1017325342 /nfs/dbraw/zinc/32/53/42/1017325342.db2.gz IVCYWHRMADIPHP-ZJUUUORDSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1CCCC[C@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])C1=O ZINC001598598770 1017326119 /nfs/dbraw/zinc/32/61/19/1017326119.db2.gz OTIIJXLYSQXBRM-GHMZBOCLSA-N -1 0 308.338 -0.220 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)[C@H]1CCCCN(C)C1=O ZINC001598597698 1017326250 /nfs/dbraw/zinc/32/62/50/1017326250.db2.gz BPAVOYUSZGCIKG-JTQLQIEISA-N -1 0 321.399 -0.420 20 0 DBADRM CN1CCC[C@H](N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1=O ZINC001598595900 1017326903 /nfs/dbraw/zinc/32/69/03/1017326903.db2.gz DVUOYSFLWRDTIB-ZJUUUORDSA-N -1 0 304.368 -0.819 20 0 DBADRM CN1CCC[C@@H]1c1cc(C(=O)NCC(=O)NCC(=O)[O-])[nH]n1 ZINC001598597340 1017328149 /nfs/dbraw/zinc/32/81/49/1017328149.db2.gz CUDOZDIQBPIATB-SNVBAGLBSA-N -1 0 309.326 -0.893 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)C(=O)N2CCN(C)C(C)(C)C2)n1 ZINC001598603328 1017332293 /nfs/dbraw/zinc/33/22/93/1017332293.db2.gz FNHKGBDKCNTBKU-UHFFFAOYSA-N -1 0 323.353 -0.391 20 0 DBADRM CN1CCN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@H](C(=O)[O-])C1 ZINC001598605366 1017332534 /nfs/dbraw/zinc/33/25/34/1017332534.db2.gz HTKCNJHZOHMNQU-WDEREUQCSA-N -1 0 318.395 -0.714 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)c1cc(C(=O)[O-])on1 ZINC001598604552 1017333188 /nfs/dbraw/zinc/33/31/88/1017333188.db2.gz OIURUJBDZMMAHM-UHFFFAOYSA-N -1 0 310.310 -0.781 20 0 DBADRM CN1CCN(C(=O)CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC001598604521 1017334327 /nfs/dbraw/zinc/33/43/27/1017334327.db2.gz MOLRBBPSSGLJOJ-NEPJUHHUSA-N -1 0 311.382 -0.232 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001598604519 1017334476 /nfs/dbraw/zinc/33/44/76/1017334476.db2.gz MJONUIYNGRUFSR-UHFFFAOYSA-N -1 0 320.349 -0.374 20 0 DBADRM C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C[C@H](C(=O)[O-])C1 ZINC001598609710 1017341176 /nfs/dbraw/zinc/34/11/76/1017341176.db2.gz MUZZTCLIXKMSKK-HBNTYKKESA-N -1 0 313.354 -0.103 20 0 DBADRM CN1CCN(S(=O)(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC001598621187 1017350778 /nfs/dbraw/zinc/35/07/78/1017350778.db2.gz LJNOVUIWUZDGSR-WDEREUQCSA-N -1 0 321.399 -0.910 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C1 ZINC001598624431 1017354552 /nfs/dbraw/zinc/35/45/52/1017354552.db2.gz XCQGITJOQRTLLC-MJDLHHQISA-N -1 0 318.395 -0.654 20 0 DBADRM CN1CCO[C@H](C(=O)NCCNc2ncc(C(=O)[O-])cn2)C1 ZINC001598624937 1017354921 /nfs/dbraw/zinc/35/49/21/1017354921.db2.gz IXBVHXVPSREFAA-JTQLQIEISA-N -1 0 309.326 -0.967 20 0 DBADRM CN1CCO[C@@H](C(=O)NCCc2ccc(C(=O)[O-])cc2)C1=O ZINC001598624927 1017355371 /nfs/dbraw/zinc/35/53/71/1017355371.db2.gz IWAPXDCRHFGWEO-LBPRGKRZSA-N -1 0 306.318 -0.099 20 0 DBADRM CN1CCOc2ccc(C(=O)NCC(=O)NCC(=O)[O-])cc21 ZINC001598624442 1017355433 /nfs/dbraw/zinc/35/54/33/1017355433.db2.gz AAYCQAXYGRCNCC-UHFFFAOYSA-N -1 0 307.306 -0.554 20 0 DBADRM CN1CCOC[C@@H]1CN1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001598623232 1017355592 /nfs/dbraw/zinc/35/55/92/1017355592.db2.gz BIHRGJSLMDLTTD-OUAUKWLOSA-N -1 0 311.338 -0.556 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)C1=O ZINC001598623842 1017355925 /nfs/dbraw/zinc/35/59/25/1017355925.db2.gz BAZXDRSPNFLVEQ-DOMZBBRYSA-N -1 0 321.333 -0.255 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])C1=O ZINC001598623620 1017356459 /nfs/dbraw/zinc/35/64/59/1017356459.db2.gz LQPMCYVJWNVTFT-NEPJUHHUSA-N -1 0 324.308 -0.205 20 0 DBADRM CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598630162 1017357388 /nfs/dbraw/zinc/35/73/88/1017357388.db2.gz JORIESLQVJLYMS-MRVPVSSYSA-N -1 0 322.321 -0.441 20 0 DBADRM CN1CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1=O ZINC001598628164 1017357682 /nfs/dbraw/zinc/35/76/82/1017357682.db2.gz MBEMGTVGZKHERY-UHFFFAOYSA-N -1 0 323.280 -0.351 20 0 DBADRM CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001598631088 1017358150 /nfs/dbraw/zinc/35/81/50/1017358150.db2.gz XQIQBOIZBAXRMA-MRVPVSSYSA-N -1 0 324.337 -0.498 20 0 DBADRM CN1CCc2ccc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])cc21 ZINC001598627059 1017358623 /nfs/dbraw/zinc/35/86/23/1017358623.db2.gz FYXLPCQGNNLPEG-LLVKDONJSA-N -1 0 321.333 -0.431 20 0 DBADRM CN1CCn2c(CNC(=O)[C@H]3CC[C@H]3C(=O)[O-])nnc2C1=O ZINC001598627343 1017358796 /nfs/dbraw/zinc/35/87/96/1017358796.db2.gz IERHQVWYARPPTQ-JGVFFNPUSA-N -1 0 307.310 -0.909 20 0 DBADRM CNC(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001598630228 1017359085 /nfs/dbraw/zinc/35/90/85/1017359085.db2.gz KKTNOYWGOAYJBV-SSDOTTSWSA-N -1 0 311.319 -0.586 20 0 DBADRM CN(C(=O)[C@@H]1CN(C)CCO1)[C@H](COC1CCC1)C(=O)[O-] ZINC001598626411 1017359483 /nfs/dbraw/zinc/35/94/83/1017359483.db2.gz WFECCAJPNOSQIH-NEPJUHHUSA-N -1 0 300.355 -0.202 20 0 DBADRM CN(C(=O)[C@H]1CN(C)CCO1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598626412 1017360071 /nfs/dbraw/zinc/36/00/71/1017360071.db2.gz WFECCAJPNOSQIH-NWDGAFQWSA-N -1 0 300.355 -0.202 20 0 DBADRM CNC(=O)[C@]1(C(F)(F)F)CCN(Cn2cnc(C(=O)[O-])n2)C1 ZINC001598632157 1017361865 /nfs/dbraw/zinc/36/18/65/1017361865.db2.gz AYZFMOHKLOJPRY-JTQLQIEISA-N -1 0 321.259 -0.066 20 0 DBADRM CNC(=O)[C@H]1CN(S(=O)(=O)CCCCCC(=O)[O-])CCO1 ZINC001598637667 1017363277 /nfs/dbraw/zinc/36/32/77/1017363277.db2.gz NYLPMXGKQDUNFP-SNVBAGLBSA-N -1 0 322.383 -0.592 20 0 DBADRM CNC(=O)[C@@H]1CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC001598638428 1017364909 /nfs/dbraw/zinc/36/49/09/1017364909.db2.gz CPMOOTHSWDQIGN-MRVPVSSYSA-N -1 0 313.335 -0.464 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001598643192 1017365674 /nfs/dbraw/zinc/36/56/74/1017365674.db2.gz XGOJYKQXHKGHKF-UHFFFAOYSA-N -1 0 311.269 -0.333 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)CC(C)(C)CC(=O)[O-] ZINC001598643191 1017366154 /nfs/dbraw/zinc/36/61/54/1017366154.db2.gz XEJMSMJCUGIQGH-UHFFFAOYSA-N -1 0 301.343 -0.802 20 0 DBADRM CNC(=O)CN1CCN(C(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001598643616 1017367392 /nfs/dbraw/zinc/36/73/92/1017367392.db2.gz SIKSDOTYOSRLKH-UHFFFAOYSA-N -1 0 321.337 -0.325 20 0 DBADRM CNC(=O)CNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001598645222 1017367537 /nfs/dbraw/zinc/36/75/37/1017367537.db2.gz UFABNDDISAHXJH-UHFFFAOYSA-N -1 0 307.715 -0.543 20 0 DBADRM CNC(=O)Cc1noc(Cn2nc(C(=O)[O-])cc2C(=O)OC)n1 ZINC001598648913 1017369323 /nfs/dbraw/zinc/36/93/23/1017369323.db2.gz YIDBHXAOWXMMOZ-UHFFFAOYSA-N -1 0 323.265 -0.912 20 0 DBADRM CNC(=O)Nc1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001598650322 1017369551 /nfs/dbraw/zinc/36/95/51/1017369551.db2.gz GBYNMKZCAODVEY-UHFFFAOYSA-N -1 0 308.294 -0.632 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)NCC(=O)NCC(=O)[O-] ZINC001598647897 1017369614 /nfs/dbraw/zinc/36/96/14/1017369614.db2.gz VPHWBXYDVKOXFK-UHFFFAOYSA-N -1 0 322.321 -0.703 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])ccn2)CCO1 ZINC001598651063 1017369854 /nfs/dbraw/zinc/36/98/54/1017369854.db2.gz HQOLWKLHMYOWPH-SNVBAGLBSA-N -1 0 322.321 -0.450 20 0 DBADRM CNC(=O)[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C(C)C ZINC001598655631 1017370772 /nfs/dbraw/zinc/37/07/72/1017370772.db2.gz DTEPJYBLAOHBMY-ZETCQYMHSA-N -1 0 304.328 -0.843 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1Cc1nc(C(=O)[O-])cs1 ZINC001598653229 1017370948 /nfs/dbraw/zinc/37/09/48/1017370948.db2.gz KADYPIVOLVTYRW-QMMMGPOBSA-N -1 0 314.367 -0.029 20 0 DBADRM CNC(=O)[C@H](CC(C)C)NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598655405 1017372992 /nfs/dbraw/zinc/37/29/92/1017372992.db2.gz FVEDJKHDAYBEKZ-VIFPVBQESA-N -1 0 306.384 -0.069 20 0 DBADRM C/C=C(/C)C(=O)NCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001497410922 1017373395 /nfs/dbraw/zinc/37/33/95/1017373395.db2.gz BMIMUKADNUQZBQ-BAQGIRSFSA-N -1 0 321.337 -0.030 20 0 DBADRM CNC(=O)c1ccc(NC(=O)N2CC[C@@](F)(C(=O)[O-])C2)nn1 ZINC001598657199 1017374230 /nfs/dbraw/zinc/37/42/30/1017374230.db2.gz DTDCQBDNIDJBOD-LBPRGKRZSA-N -1 0 311.273 -0.133 20 0 DBADRM CNC(=O)c1cccc(CCC(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001598660106 1017375034 /nfs/dbraw/zinc/37/50/34/1017375034.db2.gz JWNVBWYTFPBBLS-GFCCVEGCSA-N -1 0 308.334 -0.069 20 0 DBADRM CNC(=O)c1ccc(NC(=O)Cn2cc(C(=O)[O-])cn2)nn1 ZINC001598657212 1017375347 /nfs/dbraw/zinc/37/53/47/1017375347.db2.gz FMRKAKHKWOPYKQ-UHFFFAOYSA-N -1 0 304.266 -0.630 20 0 DBADRM CNC(=O)c1ccc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)nn1 ZINC001598658063 1017375963 /nfs/dbraw/zinc/37/59/63/1017375963.db2.gz RIKMPZJATFJVJF-QMMMGPOBSA-N -1 0 323.309 -0.456 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])no2)C1 ZINC001598669548 1017379499 /nfs/dbraw/zinc/37/94/99/1017379499.db2.gz NVCQVAFGBOEAIF-SSDOTTSWSA-N -1 0 317.323 -0.473 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001598669082 1017379699 /nfs/dbraw/zinc/37/96/99/1017379699.db2.gz IBUHHWHJCKCRNT-UHFFFAOYSA-N -1 0 312.347 -0.181 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])on2)C1 ZINC001598669186 1017380244 /nfs/dbraw/zinc/38/02/44/1017380244.db2.gz JPPOPGMYTYHORQ-ZETCQYMHSA-N -1 0 317.323 -0.473 20 0 DBADRM CNS(=O)(=O)NCC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001598670398 1017380507 /nfs/dbraw/zinc/38/05/07/1017380507.db2.gz DJYUYCQCJGCNEG-JTQLQIEISA-N -1 0 315.351 -0.975 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])[nH]2)C1 ZINC001598669406 1017380658 /nfs/dbraw/zinc/38/06/58/1017380658.db2.gz MRLAQVBARUAERB-ZETCQYMHSA-N -1 0 301.324 -0.523 20 0 DBADRM CNS(=O)(=O)CCn1nnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001598671100 1017381620 /nfs/dbraw/zinc/38/16/20/1017381620.db2.gz JSOVVZHYSAYUDV-UHFFFAOYSA-N -1 0 311.323 -0.413 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001598671156 1017381724 /nfs/dbraw/zinc/38/17/24/1017381724.db2.gz AZZCNSCIHSKOHL-UHFFFAOYSA-N -1 0 304.324 -0.045 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001598671045 1017382116 /nfs/dbraw/zinc/38/21/16/1017382116.db2.gz MKIJIFVEPYJZAQ-QMMMGPOBSA-N -1 0 315.351 -0.133 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001598671918 1017383315 /nfs/dbraw/zinc/38/33/15/1017383315.db2.gz UFNSVVSPFYDVGV-NXEZZACHSA-N -1 0 321.399 -0.322 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(c2ncncc2C(=O)[O-])C1 ZINC001598671689 1017383605 /nfs/dbraw/zinc/38/36/05/1017383605.db2.gz TUSUOFNNKNQACW-SECBINFHSA-N -1 0 314.367 -0.060 20 0 DBADRM CNS(=O)(=O)c1ccc(Cn2nc(C(=O)[O-])ccc2=O)cc1 ZINC001598675418 1017384284 /nfs/dbraw/zinc/38/42/84/1017384284.db2.gz UQGRPQMKXJJGCW-UHFFFAOYSA-N -1 0 323.330 -0.102 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H](COC)C(=O)[O-])cc1 ZINC001598674864 1017384872 /nfs/dbraw/zinc/38/48/72/1017384872.db2.gz OLIGGBUEHYSPOA-SNVBAGLBSA-N -1 0 316.335 -0.576 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NC[C@](C)(O)C(=O)[O-])c(C)o1 ZINC001598672999 1017385142 /nfs/dbraw/zinc/38/51/42/1017385142.db2.gz BXXBRFAOLUACTI-NSHDSACASA-N -1 0 320.323 -0.938 20 0 DBADRM CNS(=O)(=O)c1ccc(N2CC[C@](O)(C(=O)[O-])C2)cc1 ZINC001598675341 1017385338 /nfs/dbraw/zinc/38/53/38/1017385338.db2.gz QEICVSRDIPERML-GFCCVEGCSA-N -1 0 300.336 -0.380 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CCC2)co1 ZINC001598673770 1017385705 /nfs/dbraw/zinc/38/57/05/1017385705.db2.gz ZUOFQRBOZYWEFL-UHFFFAOYSA-N -1 0 302.308 -0.075 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])co1 ZINC001598673535 1017386519 /nfs/dbraw/zinc/38/65/19/1017386519.db2.gz SUYOSMDQZDAFGL-YUMQZZPRSA-N -1 0 320.298 -0.175 20 0 DBADRM COC(=O)/C(C)=C\CN1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001598687023 1017388396 /nfs/dbraw/zinc/38/83/96/1017388396.db2.gz DEMRIMCDRLJQIP-ACQQSFGKSA-N -1 0 312.366 -0.033 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001598689492 1017388426 /nfs/dbraw/zinc/38/84/26/1017388426.db2.gz ZDLRYIORJGAVIH-GZMMTYOYSA-N -1 0 309.340 -0.794 20 0 DBADRM COC(=O)/C(C)=C/CNC(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001598687508 1017388688 /nfs/dbraw/zinc/38/86/88/1017388688.db2.gz IGQWDSHLGGBTIA-FAFAAHBOSA-N -1 0 300.311 -0.009 20 0 DBADRM CNc1nnc(CC(=O)NC2(C(=O)[O-])CC(CO)C2)s1 ZINC001598682637 1017388912 /nfs/dbraw/zinc/38/89/12/1017388912.db2.gz OODPXYQPIBUUHX-UHFFFAOYSA-N -1 0 300.340 -0.536 20 0 DBADRM COC(=O)[C@](C)(CO)NCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001598688714 1017388927 /nfs/dbraw/zinc/38/89/27/1017388927.db2.gz WAKSNURGFISPKR-AWEZNQCLSA-N -1 0 310.306 -0.163 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001598687938 1017389024 /nfs/dbraw/zinc/38/90/24/1017389024.db2.gz LEFJRSWTVLVXBA-CIUDSAMLSA-N -1 0 309.340 -0.701 20 0 DBADRM COC(=O)[C@@](C)(CO)NCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001598688892 1017389354 /nfs/dbraw/zinc/38/93/54/1017389354.db2.gz WAKSNURGFISPKR-CQSZACIVSA-N -1 0 310.306 -0.163 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CN1CCCCCC1=O ZINC001598692265 1017390202 /nfs/dbraw/zinc/39/02/02/1017390202.db2.gz DBTGDVHJVOEDHS-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC001598694398 1017390436 /nfs/dbraw/zinc/39/04/36/1017390436.db2.gz MQPFFKIVBJWEKB-WDEREUQCSA-N -1 0 321.285 -0.099 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](O)c1cccc(OC)c1 ZINC001598694421 1017390583 /nfs/dbraw/zinc/39/05/83/1017390583.db2.gz MSSIOJVXEYDKDF-CMPLNLGQSA-N -1 0 311.290 -0.139 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(-n2cncn2)nc1 ZINC001598691409 1017390712 /nfs/dbraw/zinc/39/07/12/1017390712.db2.gz AVEQDPMONZROPK-SECBINFHSA-N -1 0 319.277 -0.592 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CS(=O)(=O)CC(C)C ZINC001598694690 1017390856 /nfs/dbraw/zinc/39/08/56/1017390856.db2.gz VAAYOLCRTCIJMV-QMMMGPOBSA-N -1 0 309.340 -0.810 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)Cn1ccc(C(F)F)n1 ZINC001598694650 1017391113 /nfs/dbraw/zinc/39/11/13/1017391113.db2.gz UWUYPLQNANKGLK-ZETCQYMHSA-N -1 0 305.237 -0.047 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)N1CCCCCC1 ZINC001598693729 1017391227 /nfs/dbraw/zinc/39/12/27/1017391227.db2.gz GFWRBFLULFINIV-VIFPVBQESA-N -1 0 308.356 -0.287 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H]1COc2ccccc2O1 ZINC001598692304 1017391386 /nfs/dbraw/zinc/39/13/86/1017391386.db2.gz CFTLGWTXBIDOMU-GZMMTYOYSA-N -1 0 309.274 -0.041 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc(C(N)=O)cs1 ZINC001598692164 1017391476 /nfs/dbraw/zinc/39/14/76/1017391476.db2.gz CRFNRGWLKGXVEU-LURJTMIESA-N -1 0 300.292 -0.407 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)C[C@@H](C)CC(=O)[O-] ZINC001598698004 1017392283 /nfs/dbraw/zinc/39/22/83/1017392283.db2.gz QPRFGEVCLBRJRM-BDAKNGLRSA-N -1 0 303.311 -0.092 20 0 DBADRM COC(=O)[C@H](CCF)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001598696902 1017393073 /nfs/dbraw/zinc/39/30/73/1017393073.db2.gz BGGKCPTZWFOTCR-LURJTMIESA-N -1 0 323.302 -0.404 20 0 DBADRM COC(=O)[C@@H](CC1CCOCC1)NC(=O)COCC(=O)[O-] ZINC001598697143 1017393140 /nfs/dbraw/zinc/39/31/40/1017393140.db2.gz MSGZZNSIDGLSOP-SNVBAGLBSA-N -1 0 303.311 -0.438 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1CCC(C(=O)NCCO)CC1 ZINC001598696457 1017393515 /nfs/dbraw/zinc/39/35/15/1017393515.db2.gz JGRXBIKWLPEZQE-LLVKDONJSA-N -1 0 316.354 -0.787 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001598695880 1017393549 /nfs/dbraw/zinc/39/35/49/1017393549.db2.gz ZXBKEPFEYUOYOI-OQPBUACISA-N -1 0 300.311 -0.432 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cnccc1C ZINC001598695637 1017393611 /nfs/dbraw/zinc/39/36/11/1017393611.db2.gz XVKKWKXJNWEWGD-QMMMGPOBSA-N -1 0 302.308 -0.315 20 0 DBADRM COC(=O)[C@@H](CCF)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001598700429 1017395224 /nfs/dbraw/zinc/39/52/24/1017395224.db2.gz ZQRPAMBPYFMUTG-MRVPVSSYSA-N -1 0 322.314 -0.097 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C1CC1 ZINC001598713439 1017395599 /nfs/dbraw/zinc/39/55/99/1017395599.db2.gz NORGOXVHYZXUDU-MRVPVSSYSA-N -1 0 303.296 -0.662 20 0 DBADRM COC(=O)[C@@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@H]1CCOC1 ZINC001598702097 1017395850 /nfs/dbraw/zinc/39/58/50/1017395850.db2.gz RGWPHQFKUCXEKC-MMWGEVLESA-N -1 0 315.322 -0.440 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1CCO[C@H](CNC(C)=O)C1 ZINC001598700391 1017396721 /nfs/dbraw/zinc/39/67/21/1017396721.db2.gz VRVGWVHNWLTZQG-GHMZBOCLSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)C1(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001598716008 1017397210 /nfs/dbraw/zinc/39/72/10/1017397210.db2.gz DGPQNYPPNUXRMH-QMMMGPOBSA-N -1 0 308.294 -0.297 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1 ZINC001598724239 1017398549 /nfs/dbraw/zinc/39/85/49/1017398549.db2.gz KFUNKKPTKZYEGJ-LHGDZMGGSA-N -1 0 301.295 -0.999 20 0 DBADRM COC(=O)[C@]1(C)C[C@H](OC)CN1S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001598717516 1017398655 /nfs/dbraw/zinc/39/86/55/1017398655.db2.gz AZJONAPARFZQPX-PTRXPTGYSA-N -1 0 323.367 -0.311 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC001598720356 1017399273 /nfs/dbraw/zinc/39/92/73/1017399273.db2.gz XHZOUGHYKHWRSH-SECBINFHSA-N -1 0 321.351 -0.555 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001598720439 1017399435 /nfs/dbraw/zinc/39/94/35/1017399435.db2.gz ZATMZNFPMNHLMI-JGVFFNPUSA-N -1 0 307.324 -0.899 20 0 DBADRM COC(=O)C1(NCC2(CC(=O)[O-])CC2)CCS(=O)(=O)CC1 ZINC001598724795 1017399474 /nfs/dbraw/zinc/39/94/74/1017399474.db2.gz GDXZDQGDFNEOJU-UHFFFAOYSA-N -1 0 319.379 -0.049 20 0 DBADRM COC(=O)C1(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)CC1 ZINC001598719336 1017399757 /nfs/dbraw/zinc/39/97/57/1017399757.db2.gz XHKSOXOBMOZXSN-SECBINFHSA-N -1 0 313.306 -0.052 20 0 DBADRM COC(=O)[C@@]1(OC)CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC001598726395 1017401493 /nfs/dbraw/zinc/40/14/93/1017401493.db2.gz SHKXNDQIGSEFKY-GZMMTYOYSA-N -1 0 309.340 -0.699 20 0 DBADRM COC(=O)[C@]1(OC)CCN(C(=O)CCSCC(=O)[O-])C1 ZINC001598726698 1017401559 /nfs/dbraw/zinc/40/15/59/1017401559.db2.gz YBRZFCBDVYXABF-LBPRGKRZSA-N -1 0 305.352 -0.015 20 0 DBADRM COC(=O)C12CC(C(=O)N[C@@H](Cn3cncn3)C(=O)[O-])(C1)C2 ZINC001598726715 1017401676 /nfs/dbraw/zinc/40/16/76/1017401676.db2.gz CCPCQZFFHFFFQH-LHKGTJRUSA-N -1 0 308.294 -0.809 20 0 DBADRM COC(=O)[C@]1(OC)CCN(C(=O)NC/C=C(\C)C(=O)[O-])C1 ZINC001598726420 1017402212 /nfs/dbraw/zinc/40/22/12/1017402212.db2.gz SZWVCMWTLXMQIV-FAFAAHBOSA-N -1 0 300.311 -0.009 20 0 DBADRM COC(=O)[C@H]1CC(=O)N(CN2CCSC[C@H]2CC(=O)[O-])C1 ZINC001598740799 1017403331 /nfs/dbraw/zinc/40/33/31/1017403331.db2.gz GLXUQBGQXKIGER-VHSXEESVSA-N -1 0 316.379 -0.143 20 0 DBADRM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001598743852 1017403822 /nfs/dbraw/zinc/40/38/22/1017403822.db2.gz NRNRNYVSNGGJPB-YPMHNXCESA-N -1 0 322.317 -0.153 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H](C)S(C)(=O)=O ZINC001598741762 1017403894 /nfs/dbraw/zinc/40/38/94/1017403894.db2.gz INTFCXZCCCJUEK-HLTSFMKQSA-N -1 0 321.351 -0.716 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@@H]1CSC(=O)N1 ZINC001598751418 1017404998 /nfs/dbraw/zinc/40/49/98/1017404998.db2.gz VHRITUBLBTUUGR-FXQIFTODSA-N -1 0 316.335 -0.324 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cc1ccn(C)n1 ZINC001598747397 1017405340 /nfs/dbraw/zinc/40/53/40/1017405340.db2.gz YSDSGLLZQFQBFM-MWLCHTKSSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@]1(F)CCOC1 ZINC001598747849 1017405625 /nfs/dbraw/zinc/40/56/25/1017405625.db2.gz BVYUVOJYMNZMDL-ZDMBXUJBSA-N -1 0 303.286 -0.020 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)Cc1nnc(C)o1 ZINC001598745354 1017405689 /nfs/dbraw/zinc/40/56/89/1017405689.db2.gz LPGMCPWMFNRFDJ-IUCAKERBSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCCCC(N)=O ZINC001598748114 1017405961 /nfs/dbraw/zinc/40/59/61/1017405961.db2.gz DPKIKXZUXNAXHF-ZJUUUORDSA-N -1 0 314.338 -0.103 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCNC(=O)c2cnon2)C2CC2)c1[O-] ZINC001497528046 1017406071 /nfs/dbraw/zinc/40/60/71/1017406071.db2.gz HSIBAIJRICWIPX-UHFFFAOYSA-N -1 0 320.309 -0.159 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C[C@H](O)Cn1cccn1 ZINC001598755206 1017407340 /nfs/dbraw/zinc/40/73/40/1017407340.db2.gz ZPLHVJCTNXKHPT-WOPDTQHZSA-N -1 0 311.338 -0.418 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C[C@H](O)C1(O)CCC1 ZINC001598753521 1017407530 /nfs/dbraw/zinc/40/75/30/1017407530.db2.gz VCZMCSZSXJXAFO-DCAQKATOSA-N -1 0 301.339 -0.400 20 0 DBADRM COC(=O)C1CC(NC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001598757579 1017407673 /nfs/dbraw/zinc/40/76/73/1017407673.db2.gz PLUQRKLTHWLTIV-WOOKNIGNSA-N -1 0 300.311 -0.179 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C[C@H](O)C1(O)CCC1 ZINC001598753524 1017407877 /nfs/dbraw/zinc/40/78/77/1017407877.db2.gz VCZMCSZSXJXAFO-VWYCJHECSA-N -1 0 301.339 -0.400 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)/C=C\Cn1cncn1 ZINC001598760725 1017407940 /nfs/dbraw/zinc/40/79/40/1017407940.db2.gz BBDIDYPKWGBRMS-UZAOFVRNSA-N -1 0 322.321 -0.301 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001598757691 1017407967 /nfs/dbraw/zinc/40/79/67/1017407967.db2.gz QAAQYWNULXFCQM-ZJUUUORDSA-N -1 0 308.290 -0.224 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)CCSCC(=O)[O-])C1 ZINC001598753145 1017408041 /nfs/dbraw/zinc/40/80/41/1017408041.db2.gz AJCMVSVWEBQVGX-BDAKNGLRSA-N -1 0 305.352 -0.423 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC(=O)CCSCC(=O)[O-])CN1C ZINC001598755373 1017408310 /nfs/dbraw/zinc/40/83/10/1017408310.db2.gz KLTGWSHHLXKVLG-IUCAKERBSA-N -1 0 305.352 -0.017 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)/C=C/Cn1cncn1 ZINC001598760726 1017408189 /nfs/dbraw/zinc/40/81/89/1017408189.db2.gz BBDIDYPKWGBRMS-ZNRGBCAMSA-N -1 0 322.321 -0.301 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C[C@@H](O)Cn1cccn1 ZINC001598755203 1017408286 /nfs/dbraw/zinc/40/82/86/1017408286.db2.gz ZPLHVJCTNXKHPT-TUAOUCFPSA-N -1 0 311.338 -0.418 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(C=O)n(C)n1 ZINC001598766167 1017408984 /nfs/dbraw/zinc/40/89/84/1017408984.db2.gz CJAHJBZUWDANNS-KCJUWKMLSA-N -1 0 323.305 -0.289 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1cnnn1C ZINC001598764712 1017409458 /nfs/dbraw/zinc/40/94/58/1017409458.db2.gz DKIBDMWPBFZHMB-WCBMZHEXSA-N -1 0 310.310 -0.778 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCS(C)(=O)=O ZINC001598764701 1017409551 /nfs/dbraw/zinc/40/95/51/1017409551.db2.gz DHUMOUVGEIZXQX-RKDXNWHRSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@H]1CCC(=O)NC1 ZINC001598763926 1017409804 /nfs/dbraw/zinc/40/98/04/1017409804.db2.gz WUPQLEHEOJIZAA-AEJSXWLSSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C[C@@H](O)Cn1cccn1 ZINC001598766687 1017410190 /nfs/dbraw/zinc/41/01/90/1017410190.db2.gz GPWAFQSKFSHOON-TUAOUCFPSA-N -1 0 311.338 -0.418 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C[C@@H](O)CC1(O)CCC1 ZINC001598771235 1017412002 /nfs/dbraw/zinc/41/20/02/1017412002.db2.gz RCPIZXNGOQUFMM-WOPDTQHZSA-N -1 0 315.366 -0.009 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)Nc1ccncc1 ZINC001598771425 1017412300 /nfs/dbraw/zinc/41/23/00/1017412300.db2.gz RYCYIKZTNZPCBG-CMPLNLGQSA-N -1 0 321.333 -0.220 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1coc(C(N)=O)c1 ZINC001598769581 1017412626 /nfs/dbraw/zinc/41/26/26/1017412626.db2.gz NEDAEGZEBIHZMN-CBAPKCEASA-N -1 0 324.289 -0.143 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C[C@@H](O)C1(O)CCCC1 ZINC001598772934 1017412804 /nfs/dbraw/zinc/41/28/04/1017412804.db2.gz WIRCCILSAJYGJU-GRYCIOLGSA-N -1 0 315.366 -0.009 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CC2OCCO2)C1 ZINC001598776596 1017414043 /nfs/dbraw/zinc/41/40/43/1017414043.db2.gz PAHDLSNJJMJFKH-IUCAKERBSA-N -1 0 301.295 -0.386 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)C1COC1 ZINC001598776331 1017414072 /nfs/dbraw/zinc/41/40/72/1017414072.db2.gz KBUNYZYUWLGNEJ-APPZFPTMSA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCS(C)(=O)=O)C1 ZINC001598775935 1017414689 /nfs/dbraw/zinc/41/46/89/1017414689.db2.gz NUTZJBDBTXLLRC-IUCAKERBSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CSCC(N)=O)C1 ZINC001598776463 1017415199 /nfs/dbraw/zinc/41/51/99/1017415199.db2.gz OPBSKROQGZHIEA-YUMQZZPRSA-N -1 0 318.351 -0.930 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)C1COC1 ZINC001598776334 1017415300 /nfs/dbraw/zinc/41/53/00/1017415300.db2.gz KBUNYZYUWLGNEJ-VXNVDRBHSA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001598778240 1017417199 /nfs/dbraw/zinc/41/71/99/1017417199.db2.gz CYOJFABAHUNPHP-KXUCPTDWSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H](O)c2cccnc2)C1 ZINC001598777566 1017417368 /nfs/dbraw/zinc/41/73/68/1017417368.db2.gz BFRRJPCXBMGONX-UTUOFQBUSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)C(=O)c2cnn(C)c2)C1 ZINC001598780795 1017417420 /nfs/dbraw/zinc/41/74/20/1017417420.db2.gz LAZYDAKIGUBJIK-WCBMZHEXSA-N -1 0 323.305 -0.532 20 0 DBADRM COC(=O)C1CCC(NC(=O)[C@@H](C)CC(N)=O)(C(=O)[O-])CC1 ZINC001598785804 1017417941 /nfs/dbraw/zinc/41/79/41/1017417941.db2.gz UDPDIHVPJHEZEO-JUXJKVCFSA-N -1 0 314.338 -0.199 20 0 DBADRM COC(=O)[C@@H]1CSCCN1S(=O)(=O)CCCC(=O)[O-] ZINC001598825971 1017436482 /nfs/dbraw/zinc/43/64/82/1017436482.db2.gz QTJMWKUKLOFGBY-QMMMGPOBSA-N -1 0 311.381 -0.229 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)[C@H](C(=O)[O-])C1 ZINC001598793017 1017420131 /nfs/dbraw/zinc/42/01/31/1017420131.db2.gz OFVGKQUJLGMGJY-OUAUKWLOSA-N -1 0 314.338 -0.818 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cc2nnc(C)o2)[C@H](C(=O)[O-])C1 ZINC001598793986 1017421236 /nfs/dbraw/zinc/42/12/36/1017421236.db2.gz NNQXFSBBIRDXAB-BDAKNGLRSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cccc[n+]2[O-])[C@H](C(=O)[O-])C1 ZINC001598793885 1017421400 /nfs/dbraw/zinc/42/14/00/1017421400.db2.gz IQHHXTNRWQULPV-KOLCDFICSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)[C@H]1C ZINC001598797625 1017421614 /nfs/dbraw/zinc/42/16/14/1017421614.db2.gz FSPIPUOPBGYVJI-NKWVEPMBSA-N -1 0 318.307 -0.055 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cccn(C)c2=O)[C@@H](C(=O)[O-])C1 ZINC001598794934 1017421704 /nfs/dbraw/zinc/42/17/04/1017421704.db2.gz MLQONIHLBGUTPI-MWLCHTKSSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001598794180 1017421796 /nfs/dbraw/zinc/42/17/96/1017421796.db2.gz PDVQGVVJDNLMSJ-SECBINFHSA-N -1 0 315.326 -0.828 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2ccc(C(N)=O)o2)[C@H](C(=O)[O-])C1 ZINC001598797822 1017422153 /nfs/dbraw/zinc/42/21/53/1017422153.db2.gz ZJBGQEGDVCTFMW-SFYZADRCSA-N -1 0 324.289 -0.143 20 0 DBADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)[C@H]1C ZINC001598797624 1017422387 /nfs/dbraw/zinc/42/23/87/1017422387.db2.gz FSPIPUOPBGYVJI-BQBZGAKWSA-N -1 0 318.307 -0.055 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2ccc(C(N)=O)o2)[C@@H](C(=O)[O-])C1 ZINC001598797821 1017422659 /nfs/dbraw/zinc/42/26/59/1017422659.db2.gz ZJBGQEGDVCTFMW-JGVFFNPUSA-N -1 0 324.289 -0.143 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H](C)Cc2cnn(C)c2)C[C@@H]1C(=O)[O-] ZINC001598802862 1017423716 /nfs/dbraw/zinc/42/37/16/1017423716.db2.gz GSNRBGQHBZMNCC-ADEWGFFLSA-N -1 0 323.349 -0.069 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(F)(F)C2(O)CCC2)C[C@H]1C(=O)[O-] ZINC001598805896 1017423789 /nfs/dbraw/zinc/42/37/89/1017423789.db2.gz FOYYQXAWMLUJJQ-SFYZADRCSA-N -1 0 321.276 -0.131 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCC[C@H](C)OC)C[C@H]1C(=O)[O-] ZINC001598806847 1017423915 /nfs/dbraw/zinc/42/39/15/1017423915.db2.gz GEPMANAXRJEVOS-IVZWLZJFSA-N -1 0 302.327 -0.073 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(C)(C)OC(C)=O)C[C@H]1C(=O)[O-] ZINC001598803063 1017424752 /nfs/dbraw/zinc/42/47/52/1017424752.db2.gz IFEWSNBOLWIDRB-RKDXNWHRSA-N -1 0 301.295 -0.340 20 0 DBADRM COC(=O)[C@H]1CCN1C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]1C(=O)[O-] ZINC001598804724 1017424797 /nfs/dbraw/zinc/42/47/97/1017424797.db2.gz XOWNHFWSAPXQGP-QCLAVDOMSA-N -1 0 310.306 -0.918 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)OC2=O)C[C@H]1C(=O)[O-] ZINC001598805074 1017424811 /nfs/dbraw/zinc/42/48/11/1017424811.db2.gz BEKPBFHJLANLID-FNCVBFRFSA-N -1 0 314.294 -0.794 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)C[C@H]1C(=O)[O-] ZINC001598802236 1017424836 /nfs/dbraw/zinc/42/48/36/1017424836.db2.gz BORUXXHQPCOILY-OPRDCNLKSA-N -1 0 312.322 -0.813 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@@H]1C(=O)[O-] ZINC001598808276 1017425870 /nfs/dbraw/zinc/42/58/70/1017425870.db2.gz DOIFVEWPRUNRDN-LPEHRKFASA-N -1 0 301.295 -0.876 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCCn2cccn2)C[C@@H]1C(=O)[O-] ZINC001598809760 1017425998 /nfs/dbraw/zinc/42/59/98/1017425998.db2.gz RDBSBRZXCHGYNJ-WDEREUQCSA-N -1 0 324.337 -0.212 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@@H]1C(=O)[O-] ZINC001598810749 1017426460 /nfs/dbraw/zinc/42/64/60/1017426460.db2.gz VHYYPEHECBXJAN-DTWKUNHWSA-N -1 0 315.713 -0.131 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cc2nnc(C3CC3)[nH]2)C[C@H]1C(=O)[O-] ZINC001598808858 1017427048 /nfs/dbraw/zinc/42/70/48/1017427048.db2.gz OUMLOZHWPFYLBC-RKDXNWHRSA-N -1 0 322.321 -0.443 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)C[C@@H]1C(=O)[O-] ZINC001598807638 1017427302 /nfs/dbraw/zinc/42/73/02/1017427302.db2.gz MKVYRBGIYVVSJZ-UNQZSWDGSA-N -1 0 309.318 -0.066 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cc2ncccc2OC)C[C@@H]1C(=O)[O-] ZINC001598807441 1017427319 /nfs/dbraw/zinc/42/73/19/1017427319.db2.gz JXMZESSEHLIQSM-VHSXEESVSA-N -1 0 322.317 -0.035 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@@H]1C(=O)[O-] ZINC001598813651 1017428431 /nfs/dbraw/zinc/42/84/31/1017428431.db2.gz WJWZEIPERWYYOV-WDEREUQCSA-N -1 0 309.322 -0.315 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1C(=O)[O-] ZINC001598811176 1017428583 /nfs/dbraw/zinc/42/85/83/1017428583.db2.gz YUEZITNMNVIWJC-DJLDLDEBSA-N -1 0 322.321 -0.443 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCN2CCCC2=O)C[C@@H]1C(=O)[O-] ZINC001598812061 1017428640 /nfs/dbraw/zinc/42/86/40/1017428640.db2.gz PGPWFJSDBVPXDF-UWVGGRQHSA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](NC=O)C(C)C)C[C@H]1C(=O)[O-] ZINC001598814670 1017428909 /nfs/dbraw/zinc/42/89/09/1017428909.db2.gz LWTNPENRSIEUSL-BBBLOLIVSA-N -1 0 300.311 -0.911 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCc2ccn(C)n2)C[C@@H]1C(=O)[O-] ZINC001598813650 1017429213 /nfs/dbraw/zinc/42/92/13/1017429213.db2.gz WJWZEIPERWYYOV-QWRGUYRKSA-N -1 0 309.322 -0.315 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCOCC2CC2)C[C@H]1C(=O)[O-] ZINC001598812512 1017429789 /nfs/dbraw/zinc/42/97/89/1017429789.db2.gz ZWRWSEMQIBDXAK-MNOVXSKESA-N -1 0 314.338 -0.072 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2ncncc2OC)C[C@@H]1C(=O)[O-] ZINC001598815417 1017431102 /nfs/dbraw/zinc/43/11/02/1017431102.db2.gz PIOFMSNSOVAHQW-YUMQZZPRSA-N -1 0 324.293 -0.177 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1C(=O)[O-] ZINC001598819695 1017431107 /nfs/dbraw/zinc/43/11/07/1017431107.db2.gz DBSDYJZCZUXZHB-RKDXNWHRSA-N -1 0 324.337 -0.021 20 0 DBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1cccc(C(=O)[O-])c1 ZINC001598816879 1017431754 /nfs/dbraw/zinc/43/17/54/1017431754.db2.gz DKUPPVSMTNKITD-NSHDSACASA-N -1 0 320.301 -0.159 20 0 DBADRM COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1cc(C(=O)[O-])oc1C ZINC001598817530 1017431874 /nfs/dbraw/zinc/43/18/74/1017431874.db2.gz GVVYVJQWRJTXHE-SECBINFHSA-N -1 0 324.289 -0.258 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2conc2C)C[C@@H]1C(=O)[O-] ZINC001598816810 1017431910 /nfs/dbraw/zinc/43/19/10/1017431910.db2.gz RXOOWUZRRSAELO-VHSXEESVSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2cnn(C)c2)C[C@H]1C(=O)[O-] ZINC001598815128 1017432142 /nfs/dbraw/zinc/43/21/42/1017432142.db2.gz KPLGLFKORIXTAR-NXEZZACHSA-N -1 0 310.310 -0.565 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@@H]1C(=O)[O-] ZINC001598819689 1017432245 /nfs/dbraw/zinc/43/22/45/1017432245.db2.gz DBSDYJZCZUXZHB-DTWKUNHWSA-N -1 0 324.337 -0.021 20 0 DBADRM COC(=O)[C@@H]1CN(CN2CC(C)(C)OC2=O)C[C@H]1C(=O)[O-] ZINC001598821923 1017433131 /nfs/dbraw/zinc/43/31/31/1017433131.db2.gz NLDOVMFETRWFGQ-RKDXNWHRSA-N -1 0 300.311 -0.020 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@@H]1C(=O)[O-] ZINC001598822469 1017433666 /nfs/dbraw/zinc/43/36/66/1017433666.db2.gz QJRQYAAEDNBGGK-VHSXEESVSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)N=S(C)(C)=O)C[C@@H]1C(=O)[O-] ZINC001598821779 1017434035 /nfs/dbraw/zinc/43/40/35/1017434035.db2.gz MJWUPADFPHVJFB-JGVFFNPUSA-N -1 0 306.340 -0.954 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)Nc2cnccn2)C[C@H]1C(=O)[O-] ZINC001598821040 1017434066 /nfs/dbraw/zinc/43/40/66/1017434066.db2.gz JRTKVILQDSSVGB-BDAKNGLRSA-N -1 0 308.294 -0.779 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1C(=O)[O-] ZINC001598820874 1017434336 /nfs/dbraw/zinc/43/43/36/1017434336.db2.gz ISYBSYRFFCOMIZ-BDAKNGLRSA-N -1 0 307.306 -0.225 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1C(=O)[O-] ZINC001598820879 1017434650 /nfs/dbraw/zinc/43/46/50/1017434650.db2.gz ISYBSYRFFCOMIZ-RKDXNWHRSA-N -1 0 307.306 -0.225 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@@H]1C(=O)[O-] ZINC001598820877 1017434806 /nfs/dbraw/zinc/43/48/06/1017434806.db2.gz ISYBSYRFFCOMIZ-IUCAKERBSA-N -1 0 307.306 -0.225 20 0 DBADRM COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)NCCOCC(=O)[O-])[C@@H]2C1 ZINC001598826844 1017436305 /nfs/dbraw/zinc/43/63/05/1017436305.db2.gz XJRDSDUOMVXRNC-YTWAJWBKSA-N -1 0 314.338 -0.026 20 0 DBADRM COC(=O)[C@@H]1CN(c2nnc(C3(OC)CC3)n2C)C[C@H]1C(=O)[O-] ZINC001598826978 1017436707 /nfs/dbraw/zinc/43/67/07/1017436707.db2.gz LAHJNBPLEPLXNE-RKDXNWHRSA-N -1 0 324.337 -0.239 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)N(C)CC(C)C)C[C@H]1C(=O)[O-] ZINC001598825417 1017436999 /nfs/dbraw/zinc/43/69/99/1017436999.db2.gz KKJVNACBDJMZJD-ZJUUUORDSA-N -1 0 322.383 -0.375 20 0 DBADRM COC(=O)[C@H]1CN(c2nccn(C(F)F)c2=O)C[C@H]1C(=O)[O-] ZINC001598824847 1017437059 /nfs/dbraw/zinc/43/70/59/1017437059.db2.gz BDAPUYSRSNLORK-RQJHMYQMSA-N -1 0 317.248 -0.052 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)C[C@@H]1C(=O)[O-] ZINC001598824363 1017437457 /nfs/dbraw/zinc/43/74/57/1017437457.db2.gz GTRUZESJSISDCG-KXUCPTDWSA-N -1 0 321.351 -0.699 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C[C@H]1C(=O)[O-] ZINC001598827420 1017437529 /nfs/dbraw/zinc/43/75/29/1017437529.db2.gz QERNPYZFNZAKKU-ZYUZMQFOSA-N -1 0 321.351 -0.701 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@@H]1C(=O)[O-] ZINC001598823909 1017437729 /nfs/dbraw/zinc/43/77/29/1017437729.db2.gz XYLQKCGKPNIARS-NTSWFWBYSA-N -1 0 300.292 -0.206 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@@H]1C(=O)[O-] ZINC001598823606 1017437861 /nfs/dbraw/zinc/43/78/61/1017437861.db2.gz WXPGGVMQDZFFSP-UWVGGRQHSA-N -1 0 323.305 -0.389 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)N2CCCCC2)C[C@H]1C(=O)[O-] ZINC001598824203 1017438061 /nfs/dbraw/zinc/43/80/61/1017438061.db2.gz GGRYETUYWHCZBD-NXEZZACHSA-N -1 0 320.367 -0.477 20 0 DBADRM COC(=O)C[C@H](NC(=O)Cc1cnn2c1CCCC2)C(=O)[O-] ZINC001598836556 1017439705 /nfs/dbraw/zinc/43/97/05/1017439705.db2.gz BKAGNGKHWWHCCX-JTQLQIEISA-N -1 0 309.322 -0.106 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)CCCCF)C[C@@H]1C(=O)[O-] ZINC001598828490 1017440304 /nfs/dbraw/zinc/44/03/04/1017440304.db2.gz XARPCTSXHWHYFQ-IUCAKERBSA-N -1 0 311.331 -0.129 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)[O-] ZINC001598836430 1017440812 /nfs/dbraw/zinc/44/08/12/1017440812.db2.gz CAHYTXMEFYSPTA-GHMZBOCLSA-N -1 0 321.285 -0.099 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CNC(=O)c1ccccc1C)C(=O)[O-] ZINC001598836748 1017441886 /nfs/dbraw/zinc/44/18/86/1017441886.db2.gz FMOATZASSXBBJV-LLVKDONJSA-N -1 0 322.317 -0.143 20 0 DBADRM COC(=O)C[C@@H](O)CNS(=O)(=O)c1occc1C(=O)[O-] ZINC001598841839 1017442082 /nfs/dbraw/zinc/44/20/82/1017442082.db2.gz UJEMHIBPUHCSQQ-ZCFIWIBFSA-N -1 0 307.280 -0.820 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cnc(C(=O)OC)cn1)C(=O)[O-] ZINC001598841813 1017442898 /nfs/dbraw/zinc/44/28/98/1017442898.db2.gz WLGDRDINLRCCRY-ZCFIWIBFSA-N -1 0 311.250 -0.991 20 0 DBADRM COC(=O)C[C@@H](NC(=O)C(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC001598836846 1017442943 /nfs/dbraw/zinc/44/29/43/1017442943.db2.gz HZFNXHYPYNYGTR-MRVPVSSYSA-N -1 0 311.294 -0.648 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(N)cc1F)C(=O)[O-] ZINC001598840245 1017443001 /nfs/dbraw/zinc/44/30/01/1017443001.db2.gz PIOCUTNTZHQOTQ-QMMMGPOBSA-N -1 0 320.298 -0.298 20 0 DBADRM COC(=O)C[C@@H](O)CNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001598842345 1017443926 /nfs/dbraw/zinc/44/39/26/1017443926.db2.gz ZEGHKIBCRNYHGC-MRVPVSSYSA-N -1 0 309.340 -0.915 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001598845430 1017443982 /nfs/dbraw/zinc/44/39/82/1017443982.db2.gz GYXIFLCMGCQJPN-ONGXEEELSA-N -1 0 312.322 -0.503 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC001598845471 1017444683 /nfs/dbraw/zinc/44/46/83/1017444683.db2.gz HQBIZDSDCCBLDI-LLVKDONJSA-N -1 0 309.322 -0.115 20 0 DBADRM COC(=O)CC1(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CCOCC1 ZINC001598842940 1017445467 /nfs/dbraw/zinc/44/54/67/1017445467.db2.gz CVLQYFKPSNRUKN-VHSXEESVSA-N -1 0 315.322 -0.153 20 0 DBADRM COC(=O)CCCNC(=S)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001598852670 1017446585 /nfs/dbraw/zinc/44/65/85/1017446585.db2.gz YBTOOBBHUMTNQD-WPRPVWTQSA-N -1 0 304.368 -0.107 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001598853050 1017446809 /nfs/dbraw/zinc/44/68/09/1017446809.db2.gz WDSJZRPRCRIIOO-SNVBAGLBSA-N -1 0 322.383 -0.183 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC001598852866 1017446866 /nfs/dbraw/zinc/44/68/66/1017446866.db2.gz KUKORNHATXBHNN-BXKDBHETSA-N -1 0 322.383 -0.231 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C(=O)[O-])cn1 ZINC001598846767 1017447731 /nfs/dbraw/zinc/44/77/31/1017447731.db2.gz SIFGNCLIYHMMSN-LLVKDONJSA-N -1 0 307.306 -0.357 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)c1cc(C(=O)[O-])co1 ZINC001598853451 1017447829 /nfs/dbraw/zinc/44/78/29/1017447829.db2.gz CGLYGFSOLFPFCO-UHFFFAOYSA-N -1 0 312.278 -0.223 20 0 DBADRM COC(=O)CC[C@@H](C(=O)[O-])N1CCO[C@H](CNC(C)=O)C1 ZINC001598847572 1017448171 /nfs/dbraw/zinc/44/81/71/1017448171.db2.gz KPFYFMUNLYFBDB-MNOVXSKESA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)CC[C@@H](C(=O)[O-])N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001598849458 1017448207 /nfs/dbraw/zinc/44/82/07/1017448207.db2.gz XXSZDNITBDKJLA-UWVGGRQHSA-N -1 0 322.383 -0.642 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001598852217 1017448573 /nfs/dbraw/zinc/44/85/73/1017448573.db2.gz IVVFRXOFMVSRMC-LLVKDONJSA-N -1 0 323.367 -0.573 20 0 DBADRM COC(=O)CCCNC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001598852122 1017448611 /nfs/dbraw/zinc/44/86/11/1017448611.db2.gz JMFHWMQUZLXWGE-BDAKNGLRSA-N -1 0 316.310 -0.545 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)C(=O)[O-] ZINC001598855159 1017449549 /nfs/dbraw/zinc/44/95/49/1017449549.db2.gz FXUAWTBSAVGFHX-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cnc2cccnn21)C(=O)[O-] ZINC001598857439 1017450836 /nfs/dbraw/zinc/45/08/36/1017450836.db2.gz QKBLICFYVJAMKU-MRVPVSSYSA-N -1 0 306.278 -0.135 20 0 DBADRM Cc1nnccc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497627140 1017451121 /nfs/dbraw/zinc/45/11/21/1017451121.db2.gz PNUCPUASGIPWAD-NSCUHMNNSA-N -1 0 303.326 -0.315 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CCN1CCOC1=O)C(=O)[O-] ZINC001598856791 1017451052 /nfs/dbraw/zinc/45/10/52/1017451052.db2.gz VYAXLASAXSPCPB-MRVPVSSYSA-N -1 0 302.283 -0.649 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CCN1CCCC1=O)C(=O)[O-] ZINC001598856450 1017451298 /nfs/dbraw/zinc/45/12/98/1017451298.db2.gz OSJGLDWWPIRROH-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)/C=C/[C@H]1COC(C)(C)O1 ZINC001598860910 1017452281 /nfs/dbraw/zinc/45/22/81/1017452281.db2.gz VFSZVEZSWMHBRT-MOVJSRMASA-N -1 0 301.295 -0.220 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc2c(cc1O)OCO2 ZINC001598860715 1017452541 /nfs/dbraw/zinc/45/25/41/1017452541.db2.gz IMVDWDNSCRNUHK-UHFFFAOYSA-N -1 0 311.246 -0.179 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cc1ccc(S(N)(=O)=O)s1 ZINC001598861652 1017454056 /nfs/dbraw/zinc/45/40/56/1017454056.db2.gz JHERERBXRBNCGW-UHFFFAOYSA-N -1 0 322.364 -0.545 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCc1nc2cccnc2[nH]1 ZINC001598860901 1017454132 /nfs/dbraw/zinc/45/41/32/1017454132.db2.gz UYNKKWUFDGWOIQ-UHFFFAOYSA-N -1 0 320.305 -0.023 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CNC(=O)CCC(C)C ZINC001598860088 1017454144 /nfs/dbraw/zinc/45/41/44/1017454144.db2.gz NGTKLOLGERDBMM-UHFFFAOYSA-N -1 0 302.327 -0.375 20 0 DBADRM COC(=O)CN(C)CCNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001598859477 1017454203 /nfs/dbraw/zinc/45/42/03/1017454203.db2.gz AXSSNPWEGWNFBA-UHFFFAOYSA-N -1 0 324.333 -0.015 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001598862616 1017455438 /nfs/dbraw/zinc/45/54/38/1017455438.db2.gz LFRXBJZLGZOVAI-UHFFFAOYSA-N -1 0 309.282 -0.872 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001598864110 1017455578 /nfs/dbraw/zinc/45/55/78/1017455578.db2.gz APSJYLMTALCYLZ-RKDXNWHRSA-N -1 0 300.311 -0.717 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)C[C@@H](OC)C(C)C ZINC001598862741 1017456191 /nfs/dbraw/zinc/45/61/91/1017456191.db2.gz NWVKRQXUDWTSAJ-SECBINFHSA-N -1 0 311.356 -0.453 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cnc(C2CC2)nc1N ZINC001598862005 1017456199 /nfs/dbraw/zinc/45/61/99/1017456199.db2.gz UGDJMPPJEPVZRZ-UHFFFAOYSA-N -1 0 308.294 -0.364 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1c(C)noc1C ZINC001598862448 1017456217 /nfs/dbraw/zinc/45/62/17/1017456217.db2.gz IHXFKTOEGXUPDM-UHFFFAOYSA-N -1 0 306.296 -0.460 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1c1ncc(C(=O)[O-])cn1 ZINC001598865661 1017457457 /nfs/dbraw/zinc/45/74/57/1017457457.db2.gz USQYCMLKEAPEDV-SECBINFHSA-N -1 0 308.294 -0.567 20 0 DBADRM COC(=O)COCCNC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001598866568 1017457782 /nfs/dbraw/zinc/45/77/82/1017457782.db2.gz XVGLKGGZIYJMAM-DBIOUOCHSA-N -1 0 314.338 -0.026 20 0 DBADRM COC(=O)COCCNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001598866562 1017457800 /nfs/dbraw/zinc/45/78/00/1017457800.db2.gz XNUAXBMKWBZDGH-UHFFFAOYSA-N -1 0 317.319 -0.147 20 0 DBADRM COC(=O)CNC(=O)CC1(CC(=O)NCC(=O)[O-])CCCC1 ZINC001598865772 1017457889 /nfs/dbraw/zinc/45/78/89/1017457889.db2.gz WTDVPZRJHCRAON-UHFFFAOYSA-N -1 0 314.338 -0.183 20 0 DBADRM COC(=O)COCC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598865209 1017458161 /nfs/dbraw/zinc/45/81/61/1017458161.db2.gz VKGPPZCUZQXGCN-LBPRGKRZSA-N -1 0 300.267 -0.992 20 0 DBADRM COC(=O)C[C@@H](OC(=O)C12CC(C(=O)OC)(C1)C2)C(=O)[O-] ZINC001598867504 1017459048 /nfs/dbraw/zinc/45/90/48/1017459048.db2.gz DHRNDHHMODXBNJ-IASTZPEPSA-N -1 0 300.263 -0.111 20 0 DBADRM COC(=O)COCCNC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001598866353 1017459182 /nfs/dbraw/zinc/45/91/82/1017459182.db2.gz RPGABZQPJLRZNC-UHFFFAOYSA-N -1 0 300.271 -0.571 20 0 DBADRM COC(=O)N1CC(NC(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001598876144 1017460329 /nfs/dbraw/zinc/46/03/29/1017460329.db2.gz SSXHNXWRXQLHGG-UHFFFAOYSA-N -1 0 322.277 -0.715 20 0 DBADRM COC(=O)N(C)CCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001598877651 1017460362 /nfs/dbraw/zinc/46/03/62/1017460362.db2.gz RLAZAKBFBXAVMR-UHFFFAOYSA-N -1 0 320.327 -0.607 20 0 DBADRM COC(=O)CSCCC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001598868848 1017460527 /nfs/dbraw/zinc/46/05/27/1017460527.db2.gz VDEVKJBQMZJVJM-QMMMGPOBSA-N -1 0 318.351 -0.964 20 0 DBADRM COC(=O)N(C)CCCC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001598877250 1017460891 /nfs/dbraw/zinc/46/08/91/1017460891.db2.gz YEIGYCPHQRSNJQ-UWVGGRQHSA-N -1 0 302.327 -0.241 20 0 DBADRM COC(=O)N(C)CCNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001598877430 1017461152 /nfs/dbraw/zinc/46/11/52/1017461152.db2.gz JDJMNKUAXSSPIK-UHFFFAOYSA-N -1 0 319.339 -0.300 20 0 DBADRM COC(=O)NCC(=O)NC1(C(=O)OC)CCC(C(=O)[O-])CC1 ZINC001598883084 1017462803 /nfs/dbraw/zinc/46/28/03/1017462803.db2.gz JPWSAWXMNFOUOB-UHFFFAOYSA-N -1 0 316.310 -0.355 20 0 DBADRM COC(=O)NC1CN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001598882539 1017462932 /nfs/dbraw/zinc/46/29/32/1017462932.db2.gz XKNRGTPNAHZVRM-UHFFFAOYSA-N -1 0 309.278 -0.887 20 0 DBADRM COC(=O)NCCC(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001598882945 1017463064 /nfs/dbraw/zinc/46/30/64/1017463064.db2.gz CVJAVLWSNPFIRQ-VIFPVBQESA-N -1 0 316.310 -0.259 20 0 DBADRM COC(=O)N1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC001598882163 1017463446 /nfs/dbraw/zinc/46/34/46/1017463446.db2.gz RDKHRJDHRSQNAR-ZJUUUORDSA-N -1 0 300.311 -0.081 20 0 DBADRM COC(=O)N1CCC(C(=O)N[C@]2(C(=O)[O-])CCOC2)CC1 ZINC001598879396 1017463459 /nfs/dbraw/zinc/46/34/59/1017463459.db2.gz IXQYNQPDDQEESU-CYBMUJFWSA-N -1 0 300.311 -0.175 20 0 DBADRM COC(=O)NCC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598882841 1017463506 /nfs/dbraw/zinc/46/35/06/1017463506.db2.gz IDGYCMDPNSRPOE-MRVPVSSYSA-N -1 0 311.298 -0.504 20 0 DBADRM COC(=O)N1CCCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001598882186 1017463855 /nfs/dbraw/zinc/46/38/55/1017463855.db2.gz SQPDVWUQCPUDJN-UHFFFAOYSA-N -1 0 320.367 -0.045 20 0 DBADRM COC(=O)NCC(=O)N(C)CCNc1ncc(C(=O)[O-])cn1 ZINC001598883642 1017463962 /nfs/dbraw/zinc/46/39/62/1017463962.db2.gz SOXTZPKYAVIHOX-UHFFFAOYSA-N -1 0 311.298 -0.599 20 0 DBADRM COC(=O)N1CCCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC001598880479 1017463999 /nfs/dbraw/zinc/46/39/99/1017463999.db2.gz SDIBOGDWACVEOF-UHFFFAOYSA-N -1 0 310.310 -0.118 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001598890342 1017465032 /nfs/dbraw/zinc/46/50/32/1017465032.db2.gz DFWNLPSVNJRWDK-SSDOTTSWSA-N -1 0 309.234 -0.392 20 0 DBADRM COC(=O)N[C@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])C(C)C ZINC001598884472 1017466056 /nfs/dbraw/zinc/46/60/56/1017466056.db2.gz APHBCCLABUERMU-IUCAKERBSA-N -1 0 313.314 -0.772 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001598889393 1017466224 /nfs/dbraw/zinc/46/62/24/1017466224.db2.gz JFHPGPKXUZTFGS-HTQZYQBOSA-N -1 0 302.283 -0.663 20 0 DBADRM COC(=O)NCCNC(=O)COCc1ocnc1C(=O)[O-] ZINC001598884577 1017466245 /nfs/dbraw/zinc/46/62/45/1017466245.db2.gz AZVYFLPNPOOTKV-UHFFFAOYSA-N -1 0 301.255 -0.638 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001598890047 1017466346 /nfs/dbraw/zinc/46/63/46/1017466346.db2.gz WANBJFPQJWIERG-DTWKUNHWSA-N -1 0 301.295 -0.055 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](OC)[C@H]1CCOC1 ZINC001598891111 1017466385 /nfs/dbraw/zinc/46/63/85/1017466385.db2.gz DLOVGOOWYJBUSH-IQJOONFLSA-N -1 0 303.311 -0.440 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CCCCNC(N)=O ZINC001598889701 1017466545 /nfs/dbraw/zinc/46/65/45/1017466545.db2.gz ATBZETAGKCTEGW-MRVPVSSYSA-N -1 0 303.315 -0.652 20 0 DBADRM COC(=O)[C@@H](F)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001598893851 1017468496 /nfs/dbraw/zinc/46/84/96/1017468496.db2.gz AWUBAQXIVUFESN-QMMMGPOBSA-N -1 0 312.319 -0.872 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cnn2cccnc12 ZINC001598892624 1017468517 /nfs/dbraw/zinc/46/85/17/1017468517.db2.gz CQNLGSMWCDFWTD-SECBINFHSA-N -1 0 306.278 -0.135 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](C)N1CCN(C)CC1 ZINC001598891316 1017468736 /nfs/dbraw/zinc/46/87/36/1017468736.db2.gz HGFYTSIFTWHJIL-WDEREUQCSA-N -1 0 315.370 -0.855 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCc2cncn2C1 ZINC001598891742 1017468886 /nfs/dbraw/zinc/46/88/86/1017468886.db2.gz UJKPNVVEAIGTAU-MWLCHTKSSA-N -1 0 309.322 -0.032 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nn2)C[C@@H](C)O1 ZINC001598897990 1017470488 /nfs/dbraw/zinc/47/04/88/1017470488.db2.gz WCMPPGNZLYELFK-APPZFPTMSA-N -1 0 324.293 -0.031 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001598899840 1017470537 /nfs/dbraw/zinc/47/05/37/1017470537.db2.gz FXDMOPLJXBZRNR-KYXWUPHJSA-N -1 0 310.306 -0.077 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(O)(C(=O)[O-])CC2)O1 ZINC001598898139 1017470775 /nfs/dbraw/zinc/47/07/75/1017470775.db2.gz VNHJTMOMTFLOPZ-BDAKNGLRSA-N -1 0 301.295 -0.855 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCOCC(=O)[O-])C[C@H]1C1CC1 ZINC001598897007 1017470794 /nfs/dbraw/zinc/47/07/94/1017470794.db2.gz KJBXDZQYHOMQKM-WDEREUQCSA-N -1 0 314.338 -0.072 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)NC2(C(=O)[O-])CC(CO)C2)O1 ZINC001598897508 1017470899 /nfs/dbraw/zinc/47/08/99/1017470899.db2.gz OZTZJJRSBCXOPQ-PYYZTYOOSA-N -1 0 301.295 -0.951 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)O1 ZINC001598897685 1017471106 /nfs/dbraw/zinc/47/11/06/1017471106.db2.gz JRAUMXZQGVBNLF-DBIOUOCHSA-N -1 0 315.322 -0.440 20 0 DBADRM COC(=O)[C@H]1[C@@H]2CN(C(=O)CN3CCC[C@@H](C(=O)[O-])C3=O)C[C@@H]21 ZINC001598901838 1017471319 /nfs/dbraw/zinc/47/13/19/1017471319.db2.gz KIJPTWUDDPBBTO-SVDPJWKOSA-N -1 0 324.333 -0.813 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](Cn2cncn2)C(=O)[O-])C1 ZINC001598896985 1017471576 /nfs/dbraw/zinc/47/15/76/1017471576.db2.gz GIHADFKZLBTZRT-IVZWLZJFSA-N -1 0 310.310 -0.563 20 0 DBADRM COC(=O)[C@@H]1C[C@H](NC(=O)Cn2cc(C(=O)[O-])cn2)[C@H]2C[C@H]21 ZINC001598900853 1017471720 /nfs/dbraw/zinc/47/17/20/1017471720.db2.gz WTJXHSZQWVNPFL-YTWAJWBKSA-N -1 0 307.306 -0.105 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])O1 ZINC001598897037 1017472268 /nfs/dbraw/zinc/47/22/68/1017472268.db2.gz HXTKGZODIHVLCI-BBBLOLIVSA-N -1 0 311.294 -0.827 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCc1ocnc1C(=O)[O-] ZINC001598900820 1017472371 /nfs/dbraw/zinc/47/23/71/1017472371.db2.gz YTULAYXYDCRALI-SFYZADRCSA-N -1 0 312.278 -0.560 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001598905059 1017473578 /nfs/dbraw/zinc/47/35/78/1017473578.db2.gz NAEKUSVZUDNCAI-AEJSXWLSSA-N -1 0 322.321 -0.051 20 0 DBADRM COC(=O)[C@H](C)NC(=O)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cn1 ZINC001598902859 1017473816 /nfs/dbraw/zinc/47/38/16/1017473816.db2.gz HBLPNAAHROKEAZ-YUMQZZPRSA-N -1 0 323.305 -0.424 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])O1 ZINC001598906962 1017473840 /nfs/dbraw/zinc/47/38/40/1017473840.db2.gz XOYVFMTWFJZZBA-SDDRHHMPSA-N -1 0 322.317 -0.086 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1 ZINC001598907382 1017474292 /nfs/dbraw/zinc/47/42/92/1017474292.db2.gz ZGMOSBKMYSMLSL-GUBZILKMSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)NC2(CC(=O)[O-])CCOCC2)O1 ZINC001598905467 1017474354 /nfs/dbraw/zinc/47/43/54/1017474354.db2.gz KHNVFJZFKZQDBS-VHSXEESVSA-N -1 0 315.322 -0.153 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC001598904872 1017474461 /nfs/dbraw/zinc/47/44/61/1017474461.db2.gz KYKKKFKFRVFAOV-DOLQZWNJSA-N -1 0 300.311 -0.179 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001598906254 1017474527 /nfs/dbraw/zinc/47/45/27/1017474527.db2.gz LXHXVIJXUMHPDG-GMTAPVOTSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)[C@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001598909212 1017474729 /nfs/dbraw/zinc/47/47/29/1017474729.db2.gz UYTUJAUZNQOTOV-IZLXSQMJSA-N -1 0 303.296 -0.662 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1 ZINC001598905701 1017475076 /nfs/dbraw/zinc/47/50/76/1017475076.db2.gz GELMLPWZZIXUGJ-IMSYWVGJSA-N -1 0 321.351 -0.965 20 0 DBADRM COC(=O)[C@H]1CN(C(=S)NCCCC(=O)[O-])C[C@@H](C)O1 ZINC001598904303 1017475105 /nfs/dbraw/zinc/47/51/05/1017475105.db2.gz AYPYNOFNAVHULX-RKDXNWHRSA-N -1 0 304.368 -0.012 20 0 DBADRM COC(=O)c1c[nH]c(C(=O)[O-])c1NC(=O)c1ccc(=O)n(C)n1 ZINC001598918994 1017476258 /nfs/dbraw/zinc/47/62/58/1017476258.db2.gz NBRUDAJMLPMSGB-UHFFFAOYSA-N -1 0 320.261 -0.155 20 0 DBADRM COC(=O)c1cc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)ccn1 ZINC001598917223 1017476963 /nfs/dbraw/zinc/47/69/63/1017476963.db2.gz FTWZXNYUUWKNFP-NXEZZACHSA-N -1 0 308.290 -0.224 20 0 DBADRM COC(=O)c1cc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)ccn1 ZINC001598917229 1017477005 /nfs/dbraw/zinc/47/70/05/1017477005.db2.gz FTWZXNYUUWKNFP-ZJUUUORDSA-N -1 0 308.290 -0.224 20 0 DBADRM COC(=O)c1cc(C(=O)NCCn2cc(C(=O)[O-])nn2)no1 ZINC001598920045 1017477200 /nfs/dbraw/zinc/47/72/00/1017477200.db2.gz QFJNXQFIADSJLG-UHFFFAOYSA-N -1 0 309.238 -0.819 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC001598925455 1017477752 /nfs/dbraw/zinc/47/77/52/1017477752.db2.gz SVEDMDJUXAQJJV-OCAPTIKFSA-N -1 0 310.310 -0.479 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])cn1 ZINC001598959169 1017480145 /nfs/dbraw/zinc/48/01/45/1017480145.db2.gz OWTDWXHSHQQURO-SNVBAGLBSA-N -1 0 324.289 -0.186 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@](C)(C(=O)[O-])C2CC2)n[nH]1 ZINC001598950617 1017480312 /nfs/dbraw/zinc/48/03/12/1017480312.db2.gz BHPALRNXKPMJIP-NSHDSACASA-N -1 0 317.323 -0.272 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])c[nH]1 ZINC001598951049 1017480543 /nfs/dbraw/zinc/48/05/43/1017480543.db2.gz LTSMHBCCOHPNOB-RCOVLWMOSA-N -1 0 320.298 -0.013 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C)CO)c(C(=O)[O-])s1 ZINC001598953552 1017480728 /nfs/dbraw/zinc/48/07/28/1017480728.db2.gz DQJIHROKJAYDRI-RXMQYKEDSA-N -1 0 323.348 -0.108 20 0 DBADRM COC(=O)c1cc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)n(C)n1 ZINC001598940836 1017481150 /nfs/dbraw/zinc/48/11/50/1017481150.db2.gz CHSUYSAYLHWEGI-LBPRGKRZSA-N -1 0 312.282 -0.740 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])nc1 ZINC001598957615 1017481176 /nfs/dbraw/zinc/48/11/76/1017481176.db2.gz IURZRIKVEUUNOP-JTQLQIEISA-N -1 0 321.289 -0.717 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])nc1 ZINC001598958168 1017481186 /nfs/dbraw/zinc/48/11/86/1017481186.db2.gz VZUAMOGDHISMHG-GHMZBOCLSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)n[nH]1 ZINC001598951225 1017481442 /nfs/dbraw/zinc/48/14/42/1017481442.db2.gz DBGNUGMRKIGGMH-JTQLQIEISA-N -1 0 321.286 -0.616 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1C(=O)[O-] ZINC001598989481 1017484352 /nfs/dbraw/zinc/48/43/52/1017484352.db2.gz ZDJZNBCBMLACRL-ZETCQYMHSA-N -1 0 317.319 -0.170 20 0 DBADRM COC(=O)c1cccc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])n1 ZINC001598991414 1017484402 /nfs/dbraw/zinc/48/44/02/1017484402.db2.gz LHBVWQBAMVBVFT-GHMZBOCLSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])n1C ZINC001598968952 1017484755 /nfs/dbraw/zinc/48/47/55/1017484755.db2.gz XWTVUSHQSXRZAC-ZETCQYMHSA-N -1 0 312.278 -0.442 20 0 DBADRM COC(=O)c1cn(CCNC(=O)c2cc(C(=O)[O-])ccn2)nn1 ZINC001599008794 1017485860 /nfs/dbraw/zinc/48/58/60/1017485860.db2.gz XJPFLQDAJTVDDG-UHFFFAOYSA-N -1 0 319.277 -0.412 20 0 DBADRM COC(=O)c1ccn(CCCC(=O)N[C@H](CF)C(=O)[O-])n1 ZINC001599006313 1017486837 /nfs/dbraw/zinc/48/68/37/1017486837.db2.gz PROPSRANQSUBFK-SECBINFHSA-N -1 0 301.274 -0.011 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497762444 1017487657 /nfs/dbraw/zinc/48/76/57/1017487657.db2.gz AXNMOZJJIHRYLB-KXMPLOMGSA-N -1 0 322.369 -0.717 20 0 DBADRM COC(=O)c1cn(CC(=O)NCc2ccc(C(=O)[O-])cn2)nn1 ZINC001599008796 1017487744 /nfs/dbraw/zinc/48/77/44/1017487744.db2.gz XKPXGEMGVQDDHV-UHFFFAOYSA-N -1 0 319.277 -0.526 20 0 DBADRM COC(=O)c1nc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cs1 ZINC001599014789 1017490228 /nfs/dbraw/zinc/49/02/28/1017490228.db2.gz FGVVAFNUTUELEV-CAHLUQPWSA-N -1 0 300.292 -0.098 20 0 DBADRM COC(=O)c1cnn(CC(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC001599011635 1017490350 /nfs/dbraw/zinc/49/03/50/1017490350.db2.gz UWHIMUMNNQWPHN-SNVBAGLBSA-N -1 0 321.293 -0.795 20 0 DBADRM CO[C@](C)(CO)CNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001599034665 1017491676 /nfs/dbraw/zinc/49/16/76/1017491676.db2.gz KYBBYIKEVCKGGN-HNNXBMFYSA-N -1 0 324.333 -0.234 20 0 DBADRM COC(C)(C)CN(C)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001599032828 1017492382 /nfs/dbraw/zinc/49/23/82/1017492382.db2.gz PCVOITHGCSTNOA-VHSXEESVSA-N -1 0 316.354 -0.836 20 0 DBADRM CO[C@H](C(=O)OC(C)(C)C)C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001599031290 1017492612 /nfs/dbraw/zinc/49/26/12/1017492612.db2.gz YFYLKXOHNRNCIT-ISVAXAHUSA-N -1 0 303.311 -0.609 20 0 DBADRM COC(C)(C)CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001599033400 1017492814 /nfs/dbraw/zinc/49/28/14/1017492814.db2.gz UHMOXRHODWZYOI-QPUJVOFHSA-N -1 0 307.368 -0.194 20 0 DBADRM CO[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1cnn(C)c1 ZINC001599028863 1017492935 /nfs/dbraw/zinc/49/29/35/1017492935.db2.gz TUUSCHZRQCAYAF-NRPADANISA-N -1 0 312.326 -0.798 20 0 DBADRM CO[C@H](C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O)[C@@H]1CCOC1 ZINC001599028952 1017493206 /nfs/dbraw/zinc/49/32/06/1017493206.db2.gz HEQORKYUPAZWLP-FOGDFJRCSA-N -1 0 315.322 -0.343 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@H]1CCN(C)C1=O)OC ZINC001599046281 1017494434 /nfs/dbraw/zinc/49/44/34/1017494434.db2.gz DFRBKHVVYNWTAJ-VIFPVBQESA-N -1 0 302.327 -0.613 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)c1cn(C)c(=O)n1C)OC ZINC001599046784 1017494584 /nfs/dbraw/zinc/49/45/84/1017494584.db2.gz RONPSPBEMFFYTK-UHFFFAOYSA-N -1 0 315.326 -0.740 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)CNC(=O)C1CC1)OC ZINC001599045736 1017494646 /nfs/dbraw/zinc/49/46/46/1017494646.db2.gz SCSMJEQCJCJENQ-UHFFFAOYSA-N -1 0 302.327 -0.565 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)C[C@@H]1CCNC1=O)OC ZINC001599046404 1017495110 /nfs/dbraw/zinc/49/51/10/1017495110.db2.gz FWYJOFNGSFNGDG-VIFPVBQESA-N -1 0 302.327 -0.565 20 0 DBADRM CO[C@](C)([C@@H](C)NC(=O)C(=O)NC[C@H](F)C(=O)[O-])C1CC1 ZINC001599035536 1017495321 /nfs/dbraw/zinc/49/53/21/1017495321.db2.gz OXNNPVXAMKWKKI-BZTNIEFMSA-N -1 0 304.318 -0.155 20 0 DBADRM CO[C@@H](C)C(=O)NC1CC(CNc2ccnc(C(=O)[O-])n2)C1 ZINC001599036669 1017495365 /nfs/dbraw/zinc/49/53/65/1017495365.db2.gz UKBDFIGJFSSLIV-IDKOKCKLSA-N -1 0 308.338 -0.062 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)c1ccc(C(N)=O)o1)OC ZINC001599046558 1017495428 /nfs/dbraw/zinc/49/54/28/1017495428.db2.gz MCDJEDDBLGVIDX-UHFFFAOYSA-N -1 0 314.294 -0.086 20 0 DBADRM CO[C@](C)(CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C1CC1 ZINC001599035656 1017495478 /nfs/dbraw/zinc/49/54/78/1017495478.db2.gz BVWJMNIJUYQLRH-CQSZACIVSA-N -1 0 324.337 -0.012 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@@H]1CCN(C)C1=O)OC ZINC001599046280 1017495851 /nfs/dbraw/zinc/49/58/51/1017495851.db2.gz DFRBKHVVYNWTAJ-SECBINFHSA-N -1 0 302.327 -0.613 20 0 DBADRM COC(CN(CCC(=O)[O-])S(=O)(=O)c1c[nH]cn1)OC ZINC001599047363 1017495986 /nfs/dbraw/zinc/49/59/86/1017495986.db2.gz CGJAEMTWHAURFD-UHFFFAOYSA-N -1 0 307.328 -0.506 20 0 DBADRM CO[C@@H](C)C(=O)N1CC[C@@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001599036491 1017496010 /nfs/dbraw/zinc/49/60/10/1017496010.db2.gz QQZTUNOQPBCZMF-UWVGGRQHSA-N -1 0 308.338 -0.108 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@H](C)n1cncn1)OC ZINC001599046367 1017496199 /nfs/dbraw/zinc/49/61/99/1017496199.db2.gz FSKYNNSMRPMQPF-VIFPVBQESA-N -1 0 300.315 -0.239 20 0 DBADRM COC(CN(CCCO)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)OC ZINC001599048628 1017498121 /nfs/dbraw/zinc/49/81/21/1017498121.db2.gz VXSSSDHOMUTGCS-VHSXEESVSA-N -1 0 305.327 -0.552 20 0 DBADRM CO[C@H](CS(=O)(=O)NC1(C(=O)[O-])CC(CO)C1)C1CC1 ZINC001599056267 1017498155 /nfs/dbraw/zinc/49/81/55/1017498155.db2.gz MDHKGIUTEPSUHO-KRBLXSNTSA-N -1 0 307.368 -0.444 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1)C(F)(F)F ZINC001599048815 1017498414 /nfs/dbraw/zinc/49/84/14/1017498414.db2.gz CFXRKOAYVXTYSK-YUMQZZPRSA-N -1 0 324.255 -0.031 20 0 DBADRM CO[C@H](CNC(=O)N1CC[C@](OC)(C(=O)[O-])C1)[C@H]1CCOC1 ZINC001599051338 1017498443 /nfs/dbraw/zinc/49/84/43/1017498443.db2.gz FXWQLKWXOFWRMT-MISXGVKJSA-N -1 0 316.354 -0.077 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-])C(C)C ZINC001599060760 1017500212 /nfs/dbraw/zinc/50/02/12/1017500212.db2.gz YQCNKPFDOPMSTH-MXWKQRLJSA-N -1 0 309.384 -0.103 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])C(C)C ZINC001599057698 1017500621 /nfs/dbraw/zinc/50/06/21/1017500621.db2.gz IRWFJXRWGWSEMN-NXEZZACHSA-N -1 0 322.383 -0.738 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-])C1CC1 ZINC001599058600 1017500699 /nfs/dbraw/zinc/50/06/99/1017500699.db2.gz ZCBPRTPVVCXOIZ-UWVGGRQHSA-N -1 0 323.367 -0.453 20 0 DBADRM COC(OC)C(=O)N1CCN(Cc2cc(C(=O)[O-])no2)CC1 ZINC001599060977 1017501137 /nfs/dbraw/zinc/50/11/37/1017501137.db2.gz VOLREIFVFUMEMO-UHFFFAOYSA-N -1 0 313.310 -0.364 20 0 DBADRM COC1(C(=O)NCC2(CC(=O)[O-])CCCC2)CS(=O)(=O)C1 ZINC001599064971 1017502829 /nfs/dbraw/zinc/50/28/29/1017502829.db2.gz PUXBPPCGGVNOBC-UHFFFAOYSA-N -1 0 319.379 -0.049 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001599065833 1017502917 /nfs/dbraw/zinc/50/29/17/1017502917.db2.gz OPDBOZJPEBPDRV-YGOYTEALSA-N -1 0 307.368 -0.242 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@]2(C)CCCO2)C1 ZINC001599066830 1017504500 /nfs/dbraw/zinc/50/45/00/1017504500.db2.gz OHMIZVLRVOHMMN-ZIAGYGMSSA-N -1 0 314.338 -0.626 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CC2(C)COC2)C1 ZINC001599068848 1017504771 /nfs/dbraw/zinc/50/47/71/1017504771.db2.gz PTLMYVKITIOOSG-CQSZACIVSA-N -1 0 314.338 -0.817 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]3C2)C1 ZINC001599068385 1017505341 /nfs/dbraw/zinc/50/53/41/1017505341.db2.gz XSBLSAOULRZENM-JRPNMDOOSA-N -1 0 310.350 -0.053 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CC2SC(=N)NC2=O)C1 ZINC001599067429 1017505629 /nfs/dbraw/zinc/50/56/29/1017505629.db2.gz AHIVQBLMJXFDGW-KBUNVGBDSA-N -1 0 301.324 -0.755 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](C3CC3)C2)C1 ZINC001599068172 1017505899 /nfs/dbraw/zinc/50/58/99/1017505899.db2.gz WUSGBFNEGXJXIZ-ABAIWWIYSA-N -1 0 310.350 -0.053 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccnc2F)C1 ZINC001599069268 1017505962 /nfs/dbraw/zinc/50/59/62/1017505962.db2.gz OUSJRODUISFWRI-ZDUSSCGKSA-N -1 0 311.269 -0.139 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H](C)c2ccccn2)C1 ZINC001599067356 1017506009 /nfs/dbraw/zinc/50/60/09/1017506009.db2.gz SIUJRKXGQURHFY-BMIGLBTASA-N -1 0 321.333 -0.039 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)C1 ZINC001599071176 1017506879 /nfs/dbraw/zinc/50/68/79/1017506879.db2.gz RNPPTSKMKCOLIM-UHIISALHSA-N -1 0 315.370 -0.409 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC001599071697 1017507042 /nfs/dbraw/zinc/50/70/42/1017507042.db2.gz GFDNHJCDIVLIFI-SKDRFNHKSA-N -1 0 320.367 -0.551 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCCN2C(=O)CCC2=O)C1 ZINC001599073094 1017507499 /nfs/dbraw/zinc/50/74/99/1017507499.db2.gz UCNKUAVDFKQTHX-ZDUSSCGKSA-N -1 0 313.310 -0.980 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001599073639 1017507561 /nfs/dbraw/zinc/50/75/61/1017507561.db2.gz PJWVQYKQDLXUBX-LBPRGKRZSA-N -1 0 317.319 -0.001 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCc3nc(C)nn3C2)C1 ZINC001599073184 1017507756 /nfs/dbraw/zinc/50/77/56/1017507756.db2.gz VCTJGCJLLBSDSX-IINYFYTJSA-N -1 0 323.353 -0.214 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCCCC(=O)N(C)C)C1 ZINC001599072314 1017507916 /nfs/dbraw/zinc/50/79/16/1017507916.db2.gz KIRTURNVCMRBEN-ZDUSSCGKSA-N -1 0 301.343 -0.260 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnc(-c3nnn(C)c3C)n2C)C1 ZINC001599076503 1017508479 /nfs/dbraw/zinc/50/84/79/1017508479.db2.gz BUCRLJLTVMMOEN-CYBMUJFWSA-N -1 0 321.341 -0.401 20 0 DBADRM CO[C@]1(C(=O)OC2CC(CC(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001599080118 1017508517 /nfs/dbraw/zinc/50/85/17/1017508517.db2.gz HRQAMMGAYXJFCT-SHVIVCPWSA-N -1 0 306.336 -0.013 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2nocc2C)C1 ZINC001599078591 1017508768 /nfs/dbraw/zinc/50/87/68/1017508768.db2.gz ICYQSXWJCDRUNQ-LLVKDONJSA-N -1 0 304.324 -0.012 20 0 DBADRM CO[C@@]1(C(=O)OCCc2cn(CC(=O)[O-])nn2)CCSC1 ZINC001599081308 1017509296 /nfs/dbraw/zinc/50/92/96/1017509296.db2.gz NFHFUDHCMIGTPN-LBPRGKRZSA-N -1 0 315.351 -0.030 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@H]2CCOC[C@@H]2C)C1 ZINC001599079799 1017510135 /nfs/dbraw/zinc/51/01/35/1017510135.db2.gz XZBIPDPEAMCZFM-JBLDHEPKSA-N -1 0 307.368 -0.083 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(CC(=O)NCC(=O)OC(C)(C)C)C1 ZINC001599076289 1017510491 /nfs/dbraw/zinc/51/04/91/1017510491.db2.gz KTEDUSKZFFRWIQ-AWEZNQCLSA-N -1 0 316.354 -0.380 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=S)NCC(=O)NC(C)C)C1 ZINC001599075977 1017511206 /nfs/dbraw/zinc/51/12/06/1017511206.db2.gz FRGFDKFYDZWQPI-LBPRGKRZSA-N -1 0 303.384 -0.439 20 0 DBADRM CO[C@@]1(COC(=O)Cn2cccc(C(=O)[O-])c2=O)CCOC1 ZINC001599092417 1017512170 /nfs/dbraw/zinc/51/21/70/1017512170.db2.gz QWZTYRJPZSMUQU-AWEZNQCLSA-N -1 0 311.290 -0.105 20 0 DBADRM COC1(C(N)=NOCc2cn(CC(=O)[O-])nn2)CCOCC1 ZINC001599086829 1017512305 /nfs/dbraw/zinc/51/23/05/1017512305.db2.gz UYUOHIOWBFKVTE-UHFFFAOYSA-N -1 0 313.314 -0.443 20 0 DBADRM COC1(CS(=O)(=O)N2CC[C@H](C(=O)[O-])C2)CCOCC1 ZINC001599092285 1017512456 /nfs/dbraw/zinc/51/24/56/1017512456.db2.gz JOOOICJERBYZJM-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM CO[C@@]1(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CCOC1 ZINC001599088616 1017512794 /nfs/dbraw/zinc/51/27/94/1017512794.db2.gz DXBDQRIFMVLCHF-IINYFYTJSA-N -1 0 314.338 -0.769 20 0 DBADRM CO[C@]1(CNC(=O)c2cc(C(=O)[O-])co2)CCS(=O)(=O)C1 ZINC001599091371 1017512853 /nfs/dbraw/zinc/51/28/53/1017512853.db2.gz SPULDAPTVQTCMJ-LBPRGKRZSA-N -1 0 317.319 -0.089 20 0 DBADRM CO[C@]1(CO)CCCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001599091986 1017512926 /nfs/dbraw/zinc/51/29/26/1017512926.db2.gz WENPRZUBJXGYIW-CYBMUJFWSA-N -1 0 312.326 -0.027 20 0 DBADRM CO[C@]1(CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)CCOC1 ZINC001599090488 1017513402 /nfs/dbraw/zinc/51/34/02/1017513402.db2.gz BKFYYJXTXJDMDT-LBPRGKRZSA-N -1 0 316.335 -0.136 20 0 DBADRM COC1(C)CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1 ZINC001599085299 1017514087 /nfs/dbraw/zinc/51/40/87/1017514087.db2.gz AUDADAABOWCRIJ-BONVTDFDSA-N -1 0 310.350 -0.053 20 0 DBADRM COC1(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CCOCC1 ZINC001599090506 1017514127 /nfs/dbraw/zinc/51/41/27/1017514127.db2.gz CKQGPYSKOKHTAY-UHFFFAOYSA-N -1 0 319.339 -0.418 20 0 DBADRM COC1CC(C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)C1 ZINC001599095339 1017514838 /nfs/dbraw/zinc/51/48/38/1017514838.db2.gz GXOMHWAGYWOSBV-UHFFFAOYSA-N -1 0 308.338 -0.108 20 0 DBADRM CO[C@]1(Cn2nnnc2N2C[C@@H](C)[C@H](C(=O)[O-])C2)CCOC1 ZINC001599095085 1017515162 /nfs/dbraw/zinc/51/51/62/1017515162.db2.gz KQOAWXFUTDVTII-BREBYQMCSA-N -1 0 311.342 -0.365 20 0 DBADRM CO[C@@H]1CCC[C@@H]([C@H](NS(=O)(=O)C2COC2)C(=O)[O-])C1 ZINC001599112599 1017515593 /nfs/dbraw/zinc/51/55/93/1017515593.db2.gz MKKILSYDWSWJAH-KKZNHRDASA-N -1 0 307.368 -0.037 20 0 DBADRM CO[C@@H]1CC[C@H]2OCCN(C(=O)Cn3cc(C(=O)[O-])nn3)[C@H]2C1 ZINC001599103119 1017516831 /nfs/dbraw/zinc/51/68/31/1017516831.db2.gz LBEOFPFJMRGONP-ADEWGFFLSA-N -1 0 324.337 -0.229 20 0 DBADRM COC1CCN(C(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)CC1 ZINC001599118813 1017517461 /nfs/dbraw/zinc/51/74/61/1017517461.db2.gz FNBBCLPTEKELPU-UHFFFAOYSA-N -1 0 324.337 -0.148 20 0 DBADRM CO[C@H]1CCN(C(=O)CCN2CCOC2=O)[C@@H](C(=O)[O-])C1 ZINC001599120761 1017517723 /nfs/dbraw/zinc/51/77/23/1017517723.db2.gz XMFKQDMOYDFJOR-VHSXEESVSA-N -1 0 300.311 -0.081 20 0 DBADRM CO[C@H]1CCN(C(=O)c2nc3ncccn3n2)[C@H](C(=O)[O-])C1 ZINC001599120527 1017517788 /nfs/dbraw/zinc/51/77/88/1017517788.db2.gz BBQJRVAVZDIWIM-IUCAKERBSA-N -1 0 305.294 -0.172 20 0 DBADRM COC1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CC1 ZINC001599116769 1017517979 /nfs/dbraw/zinc/51/79/79/1017517979.db2.gz NBMOXNXJKWYWHY-UHFFFAOYSA-N -1 0 310.310 -0.306 20 0 DBADRM CO[C@H]1CCN(C(=O)[C@@H]2CSCC(=O)N2)[C@@H](C(=O)[O-])C1 ZINC001599117866 1017517999 /nfs/dbraw/zinc/51/79/99/1017517999.db2.gz PKVCDTLVDJSTSP-XHNCKOQMSA-N -1 0 302.352 -0.691 20 0 DBADRM CO[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)[C@@H](C(=O)[O-])C1 ZINC001599117534 1017518417 /nfs/dbraw/zinc/51/84/17/1017518417.db2.gz IQJLNAZBVVFCCB-JLIMGVALSA-N -1 0 300.311 -0.890 20 0 DBADRM CO[C@@H]1CCN(C(=O)CCCS(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC001599120694 1017518772 /nfs/dbraw/zinc/51/87/72/1017518772.db2.gz WXLZCIHMEVKIPM-NXEZZACHSA-N -1 0 307.368 -0.098 20 0 DBADRM CO[C@@H]1CCN(CC(=O)N2CCO[C@@H](C)C2)[C@@H](C(=O)[O-])C1 ZINC001599121558 1017518783 /nfs/dbraw/zinc/51/87/83/1017518783.db2.gz BZNUNMJJVQCYDR-QJPTWQEYSA-N -1 0 300.355 -0.202 20 0 DBADRM CO[C@@H]1CCN(Cc2nnc3c(=O)[nH]ccn23)[C@H](C(=O)[O-])C1 ZINC001599124214 1017519917 /nfs/dbraw/zinc/51/99/17/1017519917.db2.gz PARYAGQNLQMRKB-BDAKNGLRSA-N -1 0 307.310 -0.518 20 0 DBADRM CO[C@@H]1CN(Cc2nnc3c(=O)n(C)ccn23)[C@@](C)(C(=O)[O-])C1 ZINC001599130855 1017520307 /nfs/dbraw/zinc/52/03/07/1017520307.db2.gz AIFCNOKTGJNASQ-LKFCYVNXSA-N -1 0 321.337 -0.508 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)c2cn(C)cn2)[C@@H](C(=O)[O-])C1 ZINC001599127897 1017520879 /nfs/dbraw/zinc/52/08/79/1017520879.db2.gz ZLVNHKHEJHUUDK-DTWKUNHWSA-N -1 0 303.340 -0.327 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2CSCC(=O)N2)[C@@](C)(C(=O)[O-])C1 ZINC001599134810 1017524040 /nfs/dbraw/zinc/52/40/40/1017524040.db2.gz QEZAPBYEUHJIAV-YVZVNANGSA-N -1 0 302.352 -0.691 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)Nc3n[nH]c(CC(=O)[O-])n3)nc2C1 ZINC001599127736 1017521441 /nfs/dbraw/zinc/52/14/41/1017521441.db2.gz LVIUEOUOCKLTKY-ZETCQYMHSA-N -1 0 320.309 -0.158 20 0 DBADRM COC1CCN(S(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)CC1 ZINC001599125030 1017521526 /nfs/dbraw/zinc/52/15/26/1017521526.db2.gz USHOANZWEDATNK-UHFFFAOYSA-N -1 0 322.383 -0.843 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)c2cn(C)c(C)n2)[C@@H](C(=O)[O-])C1 ZINC001599126558 1017521626 /nfs/dbraw/zinc/52/16/26/1017521626.db2.gz JPWXOYKBLPITKU-NXEZZACHSA-N -1 0 317.367 -0.019 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)c2cn(C)c(C)n2)[C@@H](C(=O)[O-])C1 ZINC001599126560 1017521689 /nfs/dbraw/zinc/52/16/89/1017521689.db2.gz JPWXOYKBLPITKU-VHSXEESVSA-N -1 0 317.367 -0.019 20 0 DBADRM CO[C@@H]1CN(C(=O)C2=C3CCCN=C3NN2)[C@](C)(C(=O)[O-])C1 ZINC001599131878 1017521718 /nfs/dbraw/zinc/52/17/18/1017521718.db2.gz DLMVOHFHUUVRJS-RTHLEPHNSA-N -1 0 308.338 -0.369 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)[C@](C)(C(=O)[O-])C1 ZINC001599132446 1017521958 /nfs/dbraw/zinc/52/19/58/1017521958.db2.gz XVWDVARBBJRVKY-NRUUGDAUSA-N -1 0 319.379 -0.098 20 0 DBADRM CO[C@H]1COCC[C@H]1CC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599137589 1017522964 /nfs/dbraw/zinc/52/29/64/1017522964.db2.gz HBBSEMRGWDOCCP-QWRGUYRKSA-N -1 0 316.354 -0.475 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001599137249 1017523096 /nfs/dbraw/zinc/52/30/96/1017523096.db2.gz DCUGKRYUFCCEMF-OUAUKWLOSA-N -1 0 317.338 -0.240 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2csnc2C(=O)[O-])CCO1 ZINC001599136218 1017523479 /nfs/dbraw/zinc/52/34/79/1017523479.db2.gz BCKLQHYITDRPHJ-SSDOTTSWSA-N -1 0 308.337 -0.165 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CCO1 ZINC001599136883 1017523648 /nfs/dbraw/zinc/52/36/48/1017523648.db2.gz VYDJCNLLGKWQTH-SNVBAGLBSA-N -1 0 304.324 -0.283 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001599137121 1017523660 /nfs/dbraw/zinc/52/36/60/1017523660.db2.gz CCLHDLPUPKEYLV-DDHJBXDOSA-N -1 0 316.354 -0.079 20 0 DBADRM CO[C@@H]1CN(C(=O)CCN2CCOCC2)[C@](C)(C(=O)[O-])C1 ZINC001599135860 1017523692 /nfs/dbraw/zinc/52/36/92/1017523692.db2.gz XOIHFWYOYHDOBX-FZMZJTMJSA-N -1 0 300.355 -0.201 20 0 DBADRM CO[C@@H]1COCC[C@H]1CNS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001599137633 1017523709 /nfs/dbraw/zinc/52/37/09/1017523709.db2.gz HIHUMANKPPNIRU-VHSXEESVSA-N -1 0 307.368 -0.178 20 0 DBADRM CO[C@@H]1CN(CC2(O)CCS(=O)(=O)CC2)[C@@](C)(C(=O)[O-])C1 ZINC001599134423 1017523891 /nfs/dbraw/zinc/52/38/91/1017523891.db2.gz YRJULVLJDRBCIO-CMPLNLGQSA-N -1 0 321.395 -0.510 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001599138351 1017525275 /nfs/dbraw/zinc/52/52/75/1017525275.db2.gz GYFRTGNBNBCHRS-ZRUFSTJUSA-N -1 0 319.379 -0.194 20 0 DBADRM COCC(=O)N1C[C@@H](CNc2ccnc(C(=O)[O-])n2)[C@H](C)C1 ZINC001599139270 1017525566 /nfs/dbraw/zinc/52/55/66/1017525566.db2.gz JIJKTCZFDWHNLJ-NXEZZACHSA-N -1 0 308.338 -0.251 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001599137878 1017526044 /nfs/dbraw/zinc/52/60/44/1017526044.db2.gz IMZBQJIGQKCNQH-XZUYRWCXSA-N -1 0 301.339 -0.136 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599140468 1017526965 /nfs/dbraw/zinc/52/69/65/1017526965.db2.gz SHFDWUNIHUUBDW-WISYIIOYSA-N -1 0 301.339 -0.278 20 0 DBADRM COCC(=O)NC1CCN([C@H](CCC(=O)[O-])C(=O)OC)CC1 ZINC001599142555 1017527765 /nfs/dbraw/zinc/52/77/65/1017527765.db2.gz GJZSTXGMFXUZGF-LLVKDONJSA-N -1 0 316.354 -0.380 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001599142340 1017527918 /nfs/dbraw/zinc/52/79/18/1017527918.db2.gz ZUESGFSNDVRPAW-GUBZILKMSA-N -1 0 320.367 -0.695 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC001599141545 1017528100 /nfs/dbraw/zinc/52/81/00/1017528100.db2.gz PZNYFCVSCMHADS-VIFPVBQESA-N -1 0 315.351 -0.640 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@H](CC(=O)[O-])c1ccncc1 ZINC001599140542 1017528290 /nfs/dbraw/zinc/52/82/90/1017528290.db2.gz BQJCISRTJJYRKY-LLVKDONJSA-N -1 0 309.322 -0.182 20 0 DBADRM COCC(=O)NCCC(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001599142727 1017528694 /nfs/dbraw/zinc/52/86/94/1017528694.db2.gz HFBJPLOWXLGRJG-UHFFFAOYSA-N -1 0 311.338 -0.199 20 0 DBADRM COCC(=O)N(C)CC(=O)NCc1ncc(C(=O)[O-])s1 ZINC001599141705 1017529173 /nfs/dbraw/zinc/52/91/73/1017529173.db2.gz QLOMZRZSWAIBQK-UHFFFAOYSA-N -1 0 301.324 -0.438 20 0 DBADRM COCC(=O)NC1(CO)CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001599142562 1017529177 /nfs/dbraw/zinc/52/91/77/1017529177.db2.gz GVDAEFXTNNMVCC-UHFFFAOYSA-N -1 0 324.337 -0.731 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001599149907 1017529958 /nfs/dbraw/zinc/52/99/58/1017529958.db2.gz LKKUERHJYDDSPI-GIPNMCIBSA-N -1 0 312.326 -0.417 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001599145458 1017530657 /nfs/dbraw/zinc/53/06/57/1017530657.db2.gz AIRJUGIJINWVOL-YMTOWFKASA-N -1 0 310.354 -0.084 20 0 DBADRM COC[C@@](C)(NC(=O)c1ccc(-c2nn[nH]n2)cn1)C(=O)[O-] ZINC001599152810 1017531824 /nfs/dbraw/zinc/53/18/24/1017531824.db2.gz XPHRJGDNBCYCCV-GFCCVEGCSA-N -1 0 306.282 -0.519 20 0 DBADRM COC[C@](C)(NC(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC001599153056 1017532023 /nfs/dbraw/zinc/53/20/23/1017532023.db2.gz RHUPPAVDIPTNCU-LBPRGKRZSA-N -1 0 316.335 -0.295 20 0 DBADRM COC[C@@](C)(NC(=O)c1cn(CC2(C)COC2)nn1)C(=O)[O-] ZINC001599152977 1017532586 /nfs/dbraw/zinc/53/25/86/1017532586.db2.gz NEORFOXRJSXHHM-CYBMUJFWSA-N -1 0 312.326 -0.466 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-] ZINC001599155159 1017532757 /nfs/dbraw/zinc/53/27/57/1017532757.db2.gz LRVCSIIXTWQECX-GFCCVEGCSA-N -1 0 324.399 -0.882 20 0 DBADRM COC[C@@](C)(NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001599151892 1017533086 /nfs/dbraw/zinc/53/30/86/1017533086.db2.gz UNTZNHSZTHELRV-YMTOWFKASA-N -1 0 324.337 -0.621 20 0 DBADRM COC[C@](C)(NC(=O)c1cnc2c(c1)NC(=O)CN2C)C(=O)[O-] ZINC001599152790 1017533100 /nfs/dbraw/zinc/53/31/00/1017533100.db2.gz LEDQWWVSWLWAJM-AWEZNQCLSA-N -1 0 322.321 -0.311 20 0 DBADRM COC[C@@](C)(NC(=O)N1CC(O)(C(=O)[O-])C1)C(F)(F)F ZINC001599151758 1017533108 /nfs/dbraw/zinc/53/31/08/1017533108.db2.gz GNBFXWZZRZRKPC-MRVPVSSYSA-N -1 0 300.233 -0.205 20 0 DBADRM COC[C@H](C)n1ccc(NC(=O)C(=O)NC2(C(=O)[O-])CC2)n1 ZINC001599161942 1017534024 /nfs/dbraw/zinc/53/40/24/1017534024.db2.gz SVYKOANFAJLDSF-QMMMGPOBSA-N -1 0 310.310 -0.238 20 0 DBADRM COC[C@@H](C)CS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599159686 1017534983 /nfs/dbraw/zinc/53/49/83/1017534983.db2.gz FVDRIEAZLDMPPZ-VGMNWLOBSA-N -1 0 310.372 -0.834 20 0 DBADRM COC[C@@H](C)CNC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599156394 1017535218 /nfs/dbraw/zinc/53/52/18/1017535218.db2.gz BCGSTUGQBCDZMO-ONGXEEELSA-N -1 0 316.354 -0.931 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599158059 1017535299 /nfs/dbraw/zinc/53/52/99/1017535299.db2.gz ABTSKIDAHXKRPT-LDYMZIIASA-N -1 0 306.340 -0.344 20 0 DBADRM COC[C@@H](C)CNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599156817 1017535663 /nfs/dbraw/zinc/53/56/63/1017535663.db2.gz KSRRKQIDVXVXGQ-UWVGGRQHSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@H](CCNC(=O)N1CC[C@](OC)(C(=O)[O-])C1)OC ZINC001599163116 1017537770 /nfs/dbraw/zinc/53/77/70/1017537770.db2.gz YIMAOIYUOXWECE-GXFFZTMASA-N -1 0 304.343 -0.077 20 0 DBADRM COC[C@@H](CS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)OC ZINC001599165644 1017536862 /nfs/dbraw/zinc/53/68/62/1017536862.db2.gz IIQAAYIZBOVRKT-UTLUCORTSA-N -1 0 311.356 -0.849 20 0 DBADRM COCC(COC)N1CCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001599164657 1017536907 /nfs/dbraw/zinc/53/69/07/1017536907.db2.gz OZDVQCPVSYRRPZ-TXEJJXNPSA-N -1 0 314.382 -0.097 20 0 DBADRM COC[C@H](CCO)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001599162935 1017536923 /nfs/dbraw/zinc/53/69/23/1017536923.db2.gz QOAFDKCSORKWLJ-QMMMGPOBSA-N -1 0 302.283 -0.597 20 0 DBADRM COC[C@@H](NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001599168154 1017539494 /nfs/dbraw/zinc/53/94/94/1017539494.db2.gz SRKOUEJJMHTIAE-RKDXNWHRSA-N -1 0 320.342 -0.522 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CCC(CC(=O)[O-])CC1)OC ZINC001599163210 1017537397 /nfs/dbraw/zinc/53/73/97/1017537397.db2.gz BDJLJZUPBXRCAM-NSHDSACASA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1)OC ZINC001599163898 1017537620 /nfs/dbraw/zinc/53/76/20/1017537620.db2.gz XIVQLORDFQARGM-GPCCPHFNSA-N -1 0 316.354 -0.667 20 0 DBADRM COC[C@H](CS(=O)(=O)N1CCSC[C@H]1C(=O)[O-])OC ZINC001599166492 1017539646 /nfs/dbraw/zinc/53/96/46/1017539646.db2.gz OFECQMHZIKHZEU-BDAKNGLRSA-N -1 0 313.397 -0.520 20 0 DBADRM COC[C@H](NC(=O)CC[C@H]1CC[C@@H](C2OCCO2)O1)C(=O)[O-] ZINC001599166848 1017539743 /nfs/dbraw/zinc/53/97/43/1017539743.db2.gz HHJNDEVJFVTMGR-VWYCJHECSA-N -1 0 317.338 -0.097 20 0 DBADRM COC[C@@H](NC(=O)[C@H](C)n1cnc2c1ncnc2N)C(=O)[O-] ZINC001599167982 1017539899 /nfs/dbraw/zinc/53/98/99/1017539899.db2.gz YGYYJCSWQKIHDH-NKWVEPMBSA-N -1 0 308.298 -0.815 20 0 DBADRM COC[C@@H](CS(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1)OC ZINC001599166054 1017540267 /nfs/dbraw/zinc/54/02/67/1017540267.db2.gz KMACMPGPDFWCOF-UWVGGRQHSA-N -1 0 311.356 -0.847 20 0 DBADRM COC[C@@H](CS(=O)(=O)N1CCSC[C@@H]1C(=O)[O-])OC ZINC001599166493 1017540325 /nfs/dbraw/zinc/54/03/25/1017540325.db2.gz OFECQMHZIKHZEU-DTWKUNHWSA-N -1 0 313.397 -0.520 20 0 DBADRM COC[C@H](NC(=O)Cc1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC001599170032 1017541417 /nfs/dbraw/zinc/54/14/17/1017541417.db2.gz LSQJWLXVZQWJPI-JTQLQIEISA-N -1 0 315.347 -0.152 20 0 DBADRM COC[C@@H](NC(=O)CN1CCCC2(CC2)S1(=O)=O)C(=O)[O-] ZINC001599168628 1017541701 /nfs/dbraw/zinc/54/17/01/1017541701.db2.gz FWIJSTBFAWTZNZ-SECBINFHSA-N -1 0 320.367 -0.840 20 0 DBADRM COC[C@H](NC(=O)Cc1c(Br)cnn1C)C(=O)[O-] ZINC001599168660 1017541790 /nfs/dbraw/zinc/54/17/90/1017541790.db2.gz HAHCBKSTYYJLPS-ZETCQYMHSA-N -1 0 320.143 -0.059 20 0 DBADRM COC[C@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-] ZINC001599169790 1017541841 /nfs/dbraw/zinc/54/18/41/1017541841.db2.gz HGNVTIGWKWMJRX-NSHDSACASA-N -1 0 305.290 -0.388 20 0 DBADRM COC[C@@H](NC(=O)Cc1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC001599170033 1017541908 /nfs/dbraw/zinc/54/19/08/1017541908.db2.gz LSQJWLXVZQWJPI-SNVBAGLBSA-N -1 0 315.347 -0.152 20 0 DBADRM COC[C@H](Cn1nnnc1N1CCO[C@@H](C(=O)[O-])C1)C(C)C ZINC001599168540 1017541981 /nfs/dbraw/zinc/54/19/81/1017541981.db2.gz AWBCIBWLOLZCHP-WDEREUQCSA-N -1 0 313.358 -0.119 20 0 DBADRM COC[C@H](Cn1nnnc1N1CCO[C@H](C(=O)[O-])C1)C(C)C ZINC001599168539 1017542620 /nfs/dbraw/zinc/54/26/20/1017542620.db2.gz AWBCIBWLOLZCHP-QWRGUYRKSA-N -1 0 313.358 -0.119 20 0 DBADRM COC[C@@H](N[C@@H](C(=O)OC)c1cccc(C(=O)[O-])c1)C(N)=O ZINC001599174308 1017542687 /nfs/dbraw/zinc/54/26/87/1017542687.db2.gz VPIGATWUFVJSRY-GHMZBOCLSA-N -1 0 310.306 -0.311 20 0 DBADRM COC[C@H](O)CCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001599179933 1017543441 /nfs/dbraw/zinc/54/34/41/1017543441.db2.gz YIVHWTZNBHDSEJ-MRVPVSSYSA-N -1 0 304.324 -0.545 20 0 DBADRM COC[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1C)C(=O)[O-] ZINC001599175568 1017543535 /nfs/dbraw/zinc/54/35/35/1017543535.db2.gz UWWBVQGKHMMYBM-SECBINFHSA-N -1 0 316.335 -0.528 20 0 DBADRM COC[C@H](O)CCNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001599178261 1017543765 /nfs/dbraw/zinc/54/37/65/1017543765.db2.gz MZDQCJWSSRRBMC-MRVPVSSYSA-N -1 0 313.310 -0.527 20 0 DBADRM COC[C@@H](O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001599177776 1017543919 /nfs/dbraw/zinc/54/39/19/1017543919.db2.gz FBFGYXLZQXVREE-VIFPVBQESA-N -1 0 313.310 -0.825 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1C)C(N)=O ZINC001599177695 1017543947 /nfs/dbraw/zinc/54/39/47/1017543947.db2.gz PAJWRKKTCGPHBS-VIFPVBQESA-N -1 0 316.335 -0.528 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(N)=O ZINC001599178518 1017544333 /nfs/dbraw/zinc/54/43/33/1017544333.db2.gz UGXCOUHBLGJTFR-SECBINFHSA-N -1 0 302.308 -0.837 20 0 DBADRM COC[C@@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC001599180500 1017544361 /nfs/dbraw/zinc/54/43/61/1017544361.db2.gz MYPSTOWZWKWXEF-MRVPVSSYSA-N -1 0 314.294 -0.506 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC ZINC001599177742 1017544863 /nfs/dbraw/zinc/54/48/63/1017544863.db2.gz RIPOHJPFDAFQON-SSDOTTSWSA-N -1 0 307.280 -0.556 20 0 DBADRM COC[C@@]1(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CCOC1 ZINC001599183034 1017545862 /nfs/dbraw/zinc/54/58/62/1017545862.db2.gz AWDUTYRWKUKKIG-KBPBESRZSA-N -1 0 312.322 -0.129 20 0 DBADRM COCC1(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CCOCC1 ZINC001599184525 1017546583 /nfs/dbraw/zinc/54/65/83/1017546583.db2.gz PQOHYMVAPVPXSA-JTQLQIEISA-N -1 0 317.338 -0.238 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCCN1C(=O)CC1CS(=O)(=O)C1 ZINC001599182485 1017547234 /nfs/dbraw/zinc/54/72/34/1017547234.db2.gz HPUPIVFMRKCPIK-CYBMUJFWSA-N -1 0 319.379 -0.097 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CC1SC(=N)NC1=O ZINC001599190864 1017548405 /nfs/dbraw/zinc/54/84/05/1017548405.db2.gz LRSIYRQMCFACIM-MADCSZMMSA-N -1 0 315.351 -0.365 20 0 DBADRM COCC1(O)CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1 ZINC001599202039 1017550013 /nfs/dbraw/zinc/55/00/13/1017550013.db2.gz XQLMXQJKYIZBCN-GMTAPVOTSA-N -1 0 301.339 -0.136 20 0 DBADRM COCC1(O)CN(C(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC001599201285 1017550363 /nfs/dbraw/zinc/55/03/63/1017550363.db2.gz FLXWBBXHBCUKRX-UHFFFAOYSA-N -1 0 301.324 -0.005 20 0 DBADRM COCC1(CS(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)CCC1 ZINC001599200950 1017550441 /nfs/dbraw/zinc/55/04/41/1017550441.db2.gz LRLZUTQHJPRDLP-GFCCVEGCSA-N -1 0 307.368 -0.346 20 0 DBADRM COCC1(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])CCC1 ZINC001599202206 1017550496 /nfs/dbraw/zinc/55/04/96/1017550496.db2.gz XFNAJUARWQKMKZ-VHSXEESVSA-N -1 0 307.368 -0.205 20 0 DBADRM COCC1(S(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CC1 ZINC001599201423 1017551005 /nfs/dbraw/zinc/55/10/05/1017551005.db2.gz GERFDAKOSXKBHS-JTQLQIEISA-N -1 0 307.368 -0.347 20 0 DBADRM COCC1(CS(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-])CCC1 ZINC001599200831 1017551205 /nfs/dbraw/zinc/55/12/05/1017551205.db2.gz JOWSKFRXXISBLQ-SECBINFHSA-N -1 0 323.367 -0.261 20 0 DBADRM COCC1(O)CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001599201921 1017551509 /nfs/dbraw/zinc/55/15/09/1017551509.db2.gz TZIQRSDZOHBYEI-UHFFFAOYSA-N -1 0 320.323 -0.465 20 0 DBADRM COC[C@@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])CCO1 ZINC001599205794 1017552547 /nfs/dbraw/zinc/55/25/47/1017552547.db2.gz RGCJLBVMEQCBEU-JTQLQIEISA-N -1 0 317.342 -0.976 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC001599205558 1017552822 /nfs/dbraw/zinc/55/28/22/1017552822.db2.gz NREJVPSBEOOWIB-ZNSHCXBVSA-N -1 0 307.368 -0.085 20 0 DBADRM COC[C@@H]1CNCCN1S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599207316 1017552830 /nfs/dbraw/zinc/55/28/30/1017552830.db2.gz JRVYMZRISZQHHA-VIFPVBQESA-N -1 0 318.351 -0.105 20 0 DBADRM COC[C@@H]1CN(Cn2nc(C(=O)OC)cc2C(=O)[O-])CCO1 ZINC001599204687 1017552920 /nfs/dbraw/zinc/55/29/20/1017552920.db2.gz AFLAGZUZLNVZQD-VIFPVBQESA-N -1 0 313.310 -0.327 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])CCO1 ZINC001599206147 1017553247 /nfs/dbraw/zinc/55/32/47/1017553247.db2.gz BAZHQQDFJKGQIN-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM COC[C@@H]1CCCN1NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001599204339 1017553270 /nfs/dbraw/zinc/55/32/70/1017553270.db2.gz ZUPDACVIEFLWEI-JTQLQIEISA-N -1 0 309.322 -0.312 20 0 DBADRM COCC[C@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)C(=O)[O-] ZINC001599215309 1017556981 /nfs/dbraw/zinc/55/69/81/1017556981.db2.gz KBPARVWAMBKJDW-VIFPVBQESA-N -1 0 305.352 -0.583 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])CCO1 ZINC001599206148 1017553607 /nfs/dbraw/zinc/55/36/07/1017553607.db2.gz BAZHQQDFJKGQIN-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM COC[C@H]1CNCCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001599206798 1017553691 /nfs/dbraw/zinc/55/36/91/1017553691.db2.gz FXWPJUIXIGWXFK-SECBINFHSA-N -1 0 317.367 -0.668 20 0 DBADRM COCCC(=O)N1CCO[C@@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001599207252 1017553730 /nfs/dbraw/zinc/55/37/30/1017553730.db2.gz ITJRCAMXFQYDQN-JTQLQIEISA-N -1 0 324.337 -0.728 20 0 DBADRM COC[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])C1 ZINC001599205899 1017554156 /nfs/dbraw/zinc/55/41/56/1017554156.db2.gz ZKPTYZBRHXZRDH-VWYCJHECSA-N -1 0 314.338 -0.913 20 0 DBADRM COCC[C@@H](C)NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001599210151 1017554933 /nfs/dbraw/zinc/55/49/33/1017554933.db2.gz CSTHSNZTVRMCMZ-OPRDCNLKSA-N -1 0 302.327 -0.772 20 0 DBADRM COCCC(C)(C)CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001599209181 1017555091 /nfs/dbraw/zinc/55/50/91/1017555091.db2.gz JZKLZMSQPCORNH-SNVBAGLBSA-N -1 0 316.354 -0.523 20 0 DBADRM COCC[C@@H](CO)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001599212821 1017555245 /nfs/dbraw/zinc/55/52/45/1017555245.db2.gz ZQQRPISQQZWFAJ-VIFPVBQESA-N -1 0 318.351 -0.236 20 0 DBADRM COCC[C@H](COC)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001599211987 1017555329 /nfs/dbraw/zinc/55/53/29/1017555329.db2.gz QFMVPIZWZNFCCJ-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@H]1COCCN1S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001599208723 1017556352 /nfs/dbraw/zinc/55/63/52/1017556352.db2.gz ZRUODAODKQLYRP-VIFPVBQESA-N -1 0 316.335 -0.184 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001599211413 1017556421 /nfs/dbraw/zinc/55/64/21/1017556421.db2.gz HUDVEZADPHTBBA-RKDXNWHRSA-N -1 0 308.356 -0.984 20 0 DBADRM COCC[C@H]1COCCN1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599221111 1017557514 /nfs/dbraw/zinc/55/75/14/1017557514.db2.gz JZZPRQOKMTXFHX-GRYCIOLGSA-N -1 0 316.354 -0.077 20 0 DBADRM COCC[C@@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC001599218606 1017557915 /nfs/dbraw/zinc/55/79/15/1017557915.db2.gz JOOHUDRNEOAROW-SNVBAGLBSA-N -1 0 310.372 -0.579 20 0 DBADRM COCC[C@H](NS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-] ZINC001599218459 1017558229 /nfs/dbraw/zinc/55/82/29/1017558229.db2.gz ICIBDTBJONRIDO-QMMMGPOBSA-N -1 0 314.385 -0.428 20 0 DBADRM COCC[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1)C(=O)[O-] ZINC001599219620 1017558605 /nfs/dbraw/zinc/55/86/05/1017558605.db2.gz SHKNMYVZNYXOGI-YIZRAAEISA-N -1 0 309.340 -0.653 20 0 DBADRM COCC[C@H](NC(=O)c1cn(C(F)(F)CO)nn1)C(=O)[O-] ZINC001599217182 1017558930 /nfs/dbraw/zinc/55/89/30/1017558930.db2.gz JFWAUTZHWQJHAC-LURJTMIESA-N -1 0 308.241 -0.961 20 0 DBADRM COCC[C@@H](NC(=O)c1cnn(C)c1-n1cnnc1)C(=O)[O-] ZINC001599217298 1017558990 /nfs/dbraw/zinc/55/89/90/1017558990.db2.gz DUDXAHMJZJYGSP-SECBINFHSA-N -1 0 308.298 -0.780 20 0 DBADRM COCCCCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599222419 1017560008 /nfs/dbraw/zinc/56/00/08/1017560008.db2.gz DVKKFQUTMDXIOV-MNOVXSKESA-N -1 0 316.354 -0.787 20 0 DBADRM COCCCCNC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001599224652 1017560505 /nfs/dbraw/zinc/56/05/05/1017560505.db2.gz ZLSVKJXOVIEOCN-UHFFFAOYSA-N -1 0 312.326 -0.243 20 0 DBADRM COCCCN(CCO)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001599221961 1017560551 /nfs/dbraw/zinc/56/05/51/1017560551.db2.gz JQZAGXNPJOVWMJ-QWRGUYRKSA-N -1 0 304.343 -0.484 20 0 DBADRM COCCCn1nc(C(=O)N[C@H](CF)C(=O)[O-])ccc1=O ZINC001599228924 1017560843 /nfs/dbraw/zinc/56/08/43/1017560843.db2.gz HSTOORNYOCLQOL-SECBINFHSA-N -1 0 301.274 -0.568 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H](C)/C=C\C(=O)[O-] ZINC001599229536 1017560899 /nfs/dbraw/zinc/56/08/99/1017560899.db2.gz GQYPNMDTIHRCLB-WBSSQXGSSA-N -1 0 308.356 -0.912 20 0 DBADRM COCCCN(CCO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599221754 1017560979 /nfs/dbraw/zinc/56/09/79/1017560979.db2.gz BAFRTNOJTWMRLQ-UWVGGRQHSA-N -1 0 319.358 -0.995 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](C)/C=C\C(=O)[O-] ZINC001599229539 1017562775 /nfs/dbraw/zinc/56/27/75/1017562775.db2.gz GQYPNMDTIHRCLB-XRVBUDJMSA-N -1 0 308.356 -0.912 20 0 DBADRM COCCN(CC(=O)OC)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001599234565 1017565091 /nfs/dbraw/zinc/56/50/91/1017565091.db2.gz PBKREKUNUFCARF-UHFFFAOYSA-N -1 0 311.356 -0.452 20 0 DBADRM COCCN(CC(=O)OC)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001599234617 1017565916 /nfs/dbraw/zinc/56/59/16/1017565916.db2.gz USYHBMHYVKWIHK-ZJUUUORDSA-N -1 0 323.367 -0.309 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001599235436 1017566099 /nfs/dbraw/zinc/56/60/99/1017566099.db2.gz ORQDCTGWSZNTQE-NSHDSACASA-N -1 0 302.327 -0.817 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001599235141 1017566320 /nfs/dbraw/zinc/56/63/20/1017566320.db2.gz XTWMYMUEAJUJPQ-ZJUUUORDSA-N -1 0 323.367 -0.309 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)Cn1c(C)cc(C)nc1=O ZINC001599236056 1017566467 /nfs/dbraw/zinc/56/64/67/1017566467.db2.gz NLINWWCPGIZFAG-UHFFFAOYSA-N -1 0 311.338 -0.190 20 0 DBADRM COCCN1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001599243585 1017567156 /nfs/dbraw/zinc/56/71/56/1017567156.db2.gz UCWSDAHGSDWUMI-NEPJUHHUSA-N -1 0 320.411 -0.167 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@]2(CC(=O)[O-])CCOC2)CC1=O ZINC001599240835 1017568347 /nfs/dbraw/zinc/56/83/47/1017568347.db2.gz RWNXXBNZHXKYCC-YGRLFVJLSA-N -1 0 314.338 -0.769 20 0 DBADRM COCCNC(=O)CN1CC[NH+](CCC(C)(C)C(=O)[O-])CC1 ZINC001599242581 1017568395 /nfs/dbraw/zinc/56/83/95/1017568395.db2.gz QBFYAPMMISPEST-UHFFFAOYSA-N -1 0 315.414 -0.133 20 0 DBADRM COCCNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001599242479 1017568733 /nfs/dbraw/zinc/56/87/33/1017568733.db2.gz QYVLGIXLHDIVOP-UHFFFAOYSA-N -1 0 323.305 -0.798 20 0 DBADRM COCCN1C[C@@H](C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)CC1=O ZINC001599239838 1017569124 /nfs/dbraw/zinc/56/91/24/1017569124.db2.gz KMMOKLHOLWJIOO-OUAUKWLOSA-N -1 0 314.338 -0.818 20 0 DBADRM COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2c[n-]c(C(=O)[O-])c2)C1 ZINC001599244165 1017569190 /nfs/dbraw/zinc/56/91/90/1017569190.db2.gz XBRNTIRRCQLAPP-VIFPVBQESA-N -1 0 317.367 -0.288 20 0 DBADRM COCCN1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])nn2)C1 ZINC001599240609 1017569614 /nfs/dbraw/zinc/56/96/14/1017569614.db2.gz RHINFZCKGOKPNP-NEPJUHHUSA-N -1 0 323.353 -0.882 20 0 DBADRM COCCN1CCN(C(=O)Nc2ccc(C(=O)[O-])nn2)CC1 ZINC001599240350 1017569807 /nfs/dbraw/zinc/56/98/07/1017569807.db2.gz KEBZOOCXLSYJOA-UHFFFAOYSA-N -1 0 309.326 -0.029 20 0 DBADRM COCCOCCN(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001599250406 1017570976 /nfs/dbraw/zinc/57/09/76/1017570976.db2.gz HKBRRQMKQIAWAD-NSHDSACASA-N -1 0 316.354 -0.569 20 0 DBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599246904 1017571434 /nfs/dbraw/zinc/57/14/34/1017571434.db2.gz KUJPRUADOASJKR-WISYIIOYSA-N -1 0 301.339 -0.421 20 0 DBADRM COCCOC[C@@H](C)N1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC001599250101 1017572091 /nfs/dbraw/zinc/57/20/91/1017572091.db2.gz UWLIPVNUPWGNKO-ZYUZMQFOSA-N -1 0 300.311 -0.321 20 0 DBADRM COCCOC[C@H](C)N1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC001599250098 1017572437 /nfs/dbraw/zinc/57/24/37/1017572437.db2.gz UWLIPVNUPWGNKO-JLIMGVALSA-N -1 0 300.311 -0.321 20 0 DBADRM COCCOCCNC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001599251699 1017572976 /nfs/dbraw/zinc/57/29/76/1017572976.db2.gz WRDJYCOPOIMXAE-UHFFFAOYSA-N -1 0 312.326 -0.120 20 0 DBADRM COCCOCCNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC001599251385 1017573079 /nfs/dbraw/zinc/57/30/79/1017573079.db2.gz IKKSQLVCQYCFBM-GFCCVEGCSA-N -1 0 317.386 -0.160 20 0 DBADRM COCCOCCS(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])[C@H]2C[C@H]21 ZINC001599251292 1017573581 /nfs/dbraw/zinc/57/35/81/1017573581.db2.gz BIQLYALIDJZSQT-ZRUFSTJUSA-N -1 0 307.368 -0.322 20 0 DBADRM COCCOCCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001599250760 1017573592 /nfs/dbraw/zinc/57/35/92/1017573592.db2.gz VCFGMEJQKNTLKK-SNVBAGLBSA-N -1 0 302.327 -0.911 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001599261867 1017573803 /nfs/dbraw/zinc/57/38/03/1017573803.db2.gz CSONIWMLZSOKQI-LBPRGKRZSA-N -1 0 307.368 -0.239 20 0 DBADRM COCCOCCN1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001599250690 1017573820 /nfs/dbraw/zinc/57/38/20/1017573820.db2.gz QPYAZPHMLJIBGA-VXGBXAGGSA-N -1 0 300.355 -0.487 20 0 DBADRM COCCOCCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001599250708 1017574794 /nfs/dbraw/zinc/57/47/94/1017574794.db2.gz RIAASJGTIZSRJW-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM COCCS(=O)(=O)CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001599262647 1017575556 /nfs/dbraw/zinc/57/55/56/1017575556.db2.gz IJYDVWDSGFEKLV-UHFFFAOYSA-N -1 0 302.308 -0.221 20 0 DBADRM COCCS(=O)(=O)NCc1c(C)nn(CC(=O)[O-])c1C ZINC001599262729 1017575709 /nfs/dbraw/zinc/57/57/09/1017575709.db2.gz MLUAOTZNYFOOLQ-UHFFFAOYSA-N -1 0 305.356 -0.350 20 0 DBADRM COCCc1noc(CN(C)C(=O)Cn2cc(C(=O)[O-])nn2)n1 ZINC001599264155 1017575980 /nfs/dbraw/zinc/57/59/80/1017575980.db2.gz ARUKMTDCLUJZSS-UHFFFAOYSA-N -1 0 324.297 -0.793 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC001599262529 1017576005 /nfs/dbraw/zinc/57/60/05/1017576005.db2.gz XTCQVZZTZHLMQW-VHSXEESVSA-N -1 0 307.368 -0.241 20 0 DBADRM COCCc1noc(CN(C)CN2C[C@@H](C(=O)[O-])CC2=O)n1 ZINC001599264832 1017576061 /nfs/dbraw/zinc/57/60/61/1017576061.db2.gz IWJIHIRFYHYPIS-VIFPVBQESA-N -1 0 312.326 -0.419 20 0 DBADRM COCCn1cc(CNC(=O)[C@@H](C)CC(=O)[O-])c(=O)[nH]c1=O ZINC001599271420 1017576077 /nfs/dbraw/zinc/57/60/77/1017576077.db2.gz OWFGTIVXSZJXFS-QMMMGPOBSA-N -1 0 313.310 -0.678 20 0 DBADRM COCCn1cc(CN2CC(n3cc(C(=O)[O-])nn3)C2)cn1 ZINC001599271027 1017576525 /nfs/dbraw/zinc/57/65/25/1017576525.db2.gz MHSPUXYIHBBMGG-UHFFFAOYSA-N -1 0 306.326 -0.124 20 0 DBADRM COCCn1c(C)nnc1N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001599268126 1017576765 /nfs/dbraw/zinc/57/67/65/1017576765.db2.gz LPHLQEINRNVJNZ-NXEZZACHSA-N -1 0 312.326 -0.457 20 0 DBADRM COCCn1c([C@@H](C)CO)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001599265116 1017576918 /nfs/dbraw/zinc/57/69/18/1017576918.db2.gz IEXVDWVPUMTSQT-VHSXEESVSA-N -1 0 314.342 -0.690 20 0 DBADRM CON(C)CCNC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001599317011 1017586175 /nfs/dbraw/zinc/58/61/75/1017586175.db2.gz XZKLJHHMMBFGLE-VIFPVBQESA-N -1 0 319.358 -0.036 20 0 DBADRM COCCn1ccc(C(=O)NCCC(=O)NCCC(=O)[O-])n1 ZINC001599271701 1017577971 /nfs/dbraw/zinc/57/79/71/1017577971.db2.gz OQUWFOVIHRWFJS-UHFFFAOYSA-N -1 0 312.326 -0.760 20 0 DBADRM COCCn1cc(NC(=O)NC[C@@H](O)CC(=O)[O-])ccc1=O ZINC001599271846 1017578127 /nfs/dbraw/zinc/57/81/27/1017578127.db2.gz QPAADGFXZKTIPU-JTQLQIEISA-N -1 0 313.310 -0.548 20 0 DBADRM COCCn1ncc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1C ZINC001599273624 1017578667 /nfs/dbraw/zinc/57/86/67/1017578667.db2.gz KHUAYUYYVKTHCS-QWRGUYRKSA-N -1 0 311.338 -0.254 20 0 DBADRM COCCn1cc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])cn1 ZINC001599272670 1017578774 /nfs/dbraw/zinc/57/87/74/1017578774.db2.gz YHIAVVCQFFYTCZ-JTQLQIEISA-N -1 0 313.310 -0.525 20 0 DBADRM COCCn1ncc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1C ZINC001599274098 1017579284 /nfs/dbraw/zinc/57/92/84/1017579284.db2.gz WVWMSMPOGSDNKC-VXGBXAGGSA-N -1 0 311.338 -0.112 20 0 DBADRM COCc1nc(-c2nnc(N3CC[C@@H](C(=O)[O-])C3)n2C)nn1C ZINC001599299965 1017580487 /nfs/dbraw/zinc/58/04/87/1017580487.db2.gz TYNWUIRKUFNDGU-MRVPVSSYSA-N -1 0 321.341 -0.332 20 0 DBADRM COCc1ccc(C(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])o1 ZINC001599290077 1017580548 /nfs/dbraw/zinc/58/05/48/1017580548.db2.gz ALQIJRMABINUMW-ZJUUUORDSA-N -1 0 310.306 -0.007 20 0 DBADRM COC[C@H](O)CNC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001599277894 1017580672 /nfs/dbraw/zinc/58/06/72/1017580672.db2.gz WUPDMNIFGZGRCH-RKDXNWHRSA-N -1 0 312.326 -0.277 20 0 DBADRM COC[C@H]1C[C@@H](n2nnnc2N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001599277241 1017581078 /nfs/dbraw/zinc/58/10/78/1017581078.db2.gz VAFMJFYIFDJYKZ-AXFHLTTASA-N -1 0 311.342 -0.050 20 0 DBADRM COC[C@H](O)CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001599277411 1017581347 /nfs/dbraw/zinc/58/13/47/1017581347.db2.gz IXOFGZUWLRJEGE-MRVPVSSYSA-N -1 0 314.269 -0.414 20 0 DBADRM COC[C@@H]1NC(=O)N([C@H]2CCOC3(CC(C(=O)[O-])C3)C2)C1=O ZINC001599277002 1017581672 /nfs/dbraw/zinc/58/16/72/1017581672.db2.gz OUGFSAWNCSTSTD-USQDWFKJSA-N -1 0 312.322 -0.034 20 0 DBADRM COCc1cncc(C(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC001599298903 1017581967 /nfs/dbraw/zinc/58/19/67/1017581967.db2.gz XZHRWCOREFNONF-RYUDHWBXSA-N -1 0 321.333 -0.205 20 0 DBADRM COC[C@H]1C[C@@H](n2nnnc2N2CC[C@@](OC)(C(=O)[O-])C2)C1 ZINC001599276908 1017582062 /nfs/dbraw/zinc/58/20/62/1017582062.db2.gz OHQVKBPKPGEPHV-CWSCBRNRSA-N -1 0 311.342 -0.050 20 0 DBADRM COCc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])no1 ZINC001599279879 1017582094 /nfs/dbraw/zinc/58/20/94/1017582094.db2.gz ZPYUOPDCCHYGAP-VIFPVBQESA-N -1 0 318.307 -0.855 20 0 DBADRM COCc1cccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001599297916 1017582211 /nfs/dbraw/zinc/58/22/11/1017582211.db2.gz HWXXTTCUKHRFBE-NSHDSACASA-N -1 0 310.306 -0.277 20 0 DBADRM CON(C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)[C@H](C)CC(=O)[O-] ZINC001599308575 1017582843 /nfs/dbraw/zinc/58/28/43/1017582843.db2.gz BQHDWTHVLZNMHW-NXEZZACHSA-N -1 0 322.383 -0.642 20 0 DBADRM COCc1noc(CNCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001599307885 1017582927 /nfs/dbraw/zinc/58/29/27/1017582927.db2.gz HHIFXQCTFOJHPT-RKDXNWHRSA-N -1 0 312.326 -0.515 20 0 DBADRM COCn1nc(C)c(S(=O)(=O)NCCOCC(=O)[O-])c1C ZINC001599308701 1017582971 /nfs/dbraw/zinc/58/29/71/1017582971.db2.gz PJUIAHMUXXOHBM-UHFFFAOYSA-N -1 0 321.355 -0.517 20 0 DBADRM COCc1nc(NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc(OC)n1 ZINC001599302952 1017584321 /nfs/dbraw/zinc/58/43/21/1017584321.db2.gz BIFQCVNQQMHHOJ-BDAKNGLRSA-N -1 0 324.337 -0.120 20 0 DBADRM COCc1nnc(CCOC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)o1 ZINC001599305864 1017584460 /nfs/dbraw/zinc/58/44/60/1017584460.db2.gz AAZMOPVZBIDTGU-SFYZADRCSA-N -1 0 300.267 -0.066 20 0 DBADRM COCn1nccc1S(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001599309286 1017584467 /nfs/dbraw/zinc/58/44/67/1017584467.db2.gz WLVUXWKMYXUPSV-RKDXNWHRSA-N -1 0 319.339 -0.650 20 0 DBADRM COCc1nn(C)cc1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001599305788 1017584772 /nfs/dbraw/zinc/58/47/72/1017584772.db2.gz QHPZCBYRYLAPHD-JTQLQIEISA-N -1 0 307.310 -0.285 20 0 DBADRM CON(C(=O)c1ccnc2c(C(N)=O)cnn21)[C@@H](C)CC(=O)[O-] ZINC001599312030 1017585482 /nfs/dbraw/zinc/58/54/82/1017585482.db2.gz BJSPLNVWOZWJPW-ZETCQYMHSA-N -1 0 321.293 -0.305 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001599315192 1017585840 /nfs/dbraw/zinc/58/58/40/1017585840.db2.gz POJKUHBWHUQCLL-UHFFFAOYSA-N -1 0 317.323 -0.614 20 0 DBADRM CON(C)C(=O)C1CCN(CN2C[C@@H](C(=O)[O-])OC2=O)CC1 ZINC001599315850 1017585989 /nfs/dbraw/zinc/58/59/89/1017585989.db2.gz MACYQVFNSZQYTG-JTQLQIEISA-N -1 0 315.326 -0.419 20 0 DBADRM CON(C)C1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC001599316309 1017586591 /nfs/dbraw/zinc/58/65/91/1017586591.db2.gz CQTBBOASCDMGGF-UHFFFAOYSA-N -1 0 303.340 -0.411 20 0 DBADRM CON(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001599315255 1017586599 /nfs/dbraw/zinc/58/65/99/1017586599.db2.gz REZVLVZWWOYQOU-ZETCQYMHSA-N -1 0 317.323 -0.534 20 0 DBADRM CON(C)C1CN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC001599316358 1017586855 /nfs/dbraw/zinc/58/68/55/1017586855.db2.gz GDHAHUUYJUBRSP-UHFFFAOYSA-N -1 0 304.328 -0.718 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599321635 1017588092 /nfs/dbraw/zinc/58/80/92/1017588092.db2.gz BFNANQTXVTWDAF-CWSCBRNRSA-N -1 0 313.310 -0.585 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C[C@H]1O ZINC001599323229 1017588482 /nfs/dbraw/zinc/58/84/82/1017588482.db2.gz DVWPCTGYTAVKDM-NXEZZACHSA-N -1 0 302.308 -0.840 20 0 DBADRM CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCCOCC(=O)[O-] ZINC001599321794 1017588651 /nfs/dbraw/zinc/58/86/51/1017588651.db2.gz DUBHZJZKUFLZGG-VIFPVBQESA-N -1 0 320.342 -0.257 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001599322687 1017588761 /nfs/dbraw/zinc/58/87/61/1017588761.db2.gz QNWGMILWUSSBHD-NXEZZACHSA-N -1 0 307.368 -0.035 20 0 DBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001599323876 1017588940 /nfs/dbraw/zinc/58/89/40/1017588940.db2.gz HWBOJOYBVROEOG-JPPWEJMLSA-N -1 0 307.368 -0.037 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599322040 1017588975 /nfs/dbraw/zinc/58/89/75/1017588975.db2.gz FGIPQYATYSTJKK-GMTAPVOTSA-N -1 0 302.327 -0.325 20 0 DBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001599321667 1017589057 /nfs/dbraw/zinc/58/90/57/1017589057.db2.gz CTQHGNFOGIWVSM-DTWKUNHWSA-N -1 0 304.324 -0.585 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001599322849 1017589248 /nfs/dbraw/zinc/58/92/48/1017589248.db2.gz VNVDTCVZVUOPQB-GPCCPHFNSA-N -1 0 314.338 -0.770 20 0 DBADRM CON1CC[C@H](N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001599319151 1017589615 /nfs/dbraw/zinc/58/96/15/1017589615.db2.gz UDYCGSCIWGABAD-ONGXEEELSA-N -1 0 309.326 -0.225 20 0 DBADRM CO[C@H]1C[C@H](Cn2nnnc2N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001599326204 1017591565 /nfs/dbraw/zinc/59/15/65/1017591565.db2.gz LMPRGQPSRZAADP-GMTAPVOTSA-N -1 0 311.342 -0.222 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@@H]1OC ZINC001599325485 1017591629 /nfs/dbraw/zinc/59/16/29/1017591629.db2.gz FNANYMGNTDYDPH-DTIDVZRVSA-N -1 0 314.338 -0.820 20 0 DBADRM COc1c(C(=O)NCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])cnn1C ZINC001599329024 1017591909 /nfs/dbraw/zinc/59/19/09/1017591909.db2.gz PMNHBJRUNOOUOX-IUCAKERBSA-N -1 0 324.337 -0.662 20 0 DBADRM COc1c2cnn(C)c2ncc1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001599329206 1017592111 /nfs/dbraw/zinc/59/21/11/1017592111.db2.gz SHBAFOVIPBVICC-ZDUSSCGKSA-N -1 0 308.294 -0.458 20 0 DBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)c1scnc1C(=O)[O-] ZINC001599323957 1017592329 /nfs/dbraw/zinc/59/23/29/1017592329.db2.gz KILLSHVJPGJUHJ-PHDIDXHHSA-N -1 0 308.337 -0.467 20 0 DBADRM CO[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)C1 ZINC001599325679 1017592934 /nfs/dbraw/zinc/59/29/34/1017592934.db2.gz DLGWGZDLPYXXAQ-NDXHXBTESA-N -1 0 310.350 -0.103 20 0 DBADRM COc1cc(C(=O)NC[C@H](C)Nc2ccnc(C(=O)[O-])n2)on1 ZINC001599354277 1017594344 /nfs/dbraw/zinc/59/43/44/1017594344.db2.gz NXITVXHMKLPFIT-ZETCQYMHSA-N -1 0 321.293 -0.176 20 0 DBADRM COc1cc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])ccn1 ZINC001599354351 1017594508 /nfs/dbraw/zinc/59/45/08/1017594508.db2.gz SCRKZJZQVQFLTO-NXEZZACHSA-N -1 0 307.306 -0.343 20 0 DBADRM COc1cc(=O)[nH]cc1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599348807 1017594652 /nfs/dbraw/zinc/59/46/52/1017594652.db2.gz HNAVYXMYYCZFAO-BQBZGAKWSA-N -1 0 311.294 -0.497 20 0 DBADRM COc1cc(C(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])ccn1 ZINC001599354354 1017595232 /nfs/dbraw/zinc/59/52/32/1017595232.db2.gz SCRKZJZQVQFLTO-ZJUUUORDSA-N -1 0 307.306 -0.343 20 0 DBADRM COc1cc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)sn1 ZINC001599353972 1017595475 /nfs/dbraw/zinc/59/54/75/1017595475.db2.gz HMSFXOJOYRCTMC-UHFFFAOYSA-N -1 0 323.334 -0.096 20 0 DBADRM COc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)ccn1 ZINC001599351908 1017595530 /nfs/dbraw/zinc/59/55/30/1017595530.db2.gz JYRDFAJYIDHKQS-QWRGUYRKSA-N -1 0 319.317 -0.249 20 0 DBADRM COc1cc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])ncn1 ZINC001599349979 1017595688 /nfs/dbraw/zinc/59/56/88/1017595688.db2.gz PIWAYVCSMUTVRR-BDAKNGLRSA-N -1 0 322.321 -0.606 20 0 DBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@H]1CCNC1=O ZINC001599385755 1017596567 /nfs/dbraw/zinc/59/65/67/1017596567.db2.gz VRUYZPVPOAJBST-YFKPBYRVSA-N -1 0 320.348 -0.378 20 0 DBADRM COc1cc(C=O)ccc1OCC(=O)NCC[C@H](O)C(=O)[O-] ZINC001599396872 1017596744 /nfs/dbraw/zinc/59/67/44/1017596744.db2.gz PKCSQWQFRGKZTC-JTQLQIEISA-N -1 0 311.290 -0.162 20 0 DBADRM COc1cc(C(N)=O)ccc1NC(=O)NC[C@@H](O)CC(=O)[O-] ZINC001599389831 1017596955 /nfs/dbraw/zinc/59/69/55/1017596955.db2.gz NHEVMHCFKVGHAE-QMMMGPOBSA-N -1 0 311.294 -0.249 20 0 DBADRM COc1cc(CNC(=O)N2C[C@H](O)[C@H](CO)C2)ccc1C(=O)[O-] ZINC001599409752 1017597007 /nfs/dbraw/zinc/59/70/07/1017597007.db2.gz HWENSMJIHVBACX-JQWIXIFHSA-N -1 0 324.333 -0.112 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)nn1C ZINC001599432343 1017597223 /nfs/dbraw/zinc/59/72/23/1017597223.db2.gz XWVLIADFCAZZNB-VIFPVBQESA-N -1 0 324.337 -0.016 20 0 DBADRM COc1cc(CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])ccc1O ZINC001599401271 1017597583 /nfs/dbraw/zinc/59/75/83/1017597583.db2.gz RCNBVJJCQLRLAB-SNVBAGLBSA-N -1 0 322.317 -0.255 20 0 DBADRM COc1cc(NC(=O)CNC(=O)CNC(C)=O)ccc1C(=O)[O-] ZINC001599434708 1017597661 /nfs/dbraw/zinc/59/76/61/1017597661.db2.gz CFOXLMLIKRCGAA-UHFFFAOYSA-N -1 0 323.305 -0.416 20 0 DBADRM COc1cc(CC(=O)N2CC(O)(C(=O)[O-])C2)cc(OC)c1O ZINC001599396341 1017597842 /nfs/dbraw/zinc/59/78/42/1017597842.db2.gz DHJDYDIEMKVVGL-UHFFFAOYSA-N -1 0 311.290 -0.390 20 0 DBADRM COc1cc(NC(=O)C(=O)NC2(C(=O)[O-])CC2)cnc1OC ZINC001599430582 1017597866 /nfs/dbraw/zinc/59/78/66/1017597866.db2.gz CCYDQTUDOPFKAQ-UHFFFAOYSA-N -1 0 309.278 -0.229 20 0 DBADRM COc1cc(NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)ccn1 ZINC001599427842 1017598056 /nfs/dbraw/zinc/59/80/56/1017598056.db2.gz BGEYCSOHJIXCPB-WPRPVWTQSA-N -1 0 323.305 -0.271 20 0 DBADRM COc1ccc([C@H](NC(=O)CCNC(N)=O)C(=O)[O-])cc1O ZINC001599515403 1017599157 /nfs/dbraw/zinc/59/91/57/1017599157.db2.gz FZYZEKSYVIDWLV-NSHDSACASA-N -1 0 311.294 -0.299 20 0 DBADRM COc1cc(OC)cc([C@H](C(=O)[O-])N2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC001599454289 1017599335 /nfs/dbraw/zinc/59/93/35/1017599335.db2.gz YWEYHEDKLDDEJB-JIMOISOXSA-N -1 0 324.333 -0.250 20 0 DBADRM COc1cc(OC)cc([C@@H](C(=O)[O-])N2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC001599454285 1017600292 /nfs/dbraw/zinc/60/02/92/1017600292.db2.gz YWEYHEDKLDDEJB-ICCXJUOJSA-N -1 0 324.333 -0.250 20 0 DBADRM COc1ccc([C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C(=O)[O-])cc1 ZINC001599518901 1017600773 /nfs/dbraw/zinc/60/07/73/1017600773.db2.gz JXVCYYPKYZNFLA-ZANVPECISA-N -1 0 320.301 -0.010 20 0 DBADRM COc1cc(S(=O)(=O)N[C@H]2CCOC2=O)ccc1C(=O)[O-] ZINC001599460899 1017600798 /nfs/dbraw/zinc/60/07/98/1017600798.db2.gz HEEKQHUUZKMUGR-VIFPVBQESA-N -1 0 315.303 -0.013 20 0 DBADRM COc1cc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])sn1 ZINC001599460399 1017601005 /nfs/dbraw/zinc/60/10/05/1017601005.db2.gz RNHYKZFXKNAQKA-IMTBSYHQSA-N -1 0 322.364 -0.250 20 0 DBADRM CS(=O)(=O)C1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001599747223 1017618630 /nfs/dbraw/zinc/61/86/30/1017618630.db2.gz LELKGFAIUQRWNN-DTWKUNHWSA-N -1 0 305.352 -0.488 20 0 DBADRM COc1ccc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001599561900 1017603443 /nfs/dbraw/zinc/60/34/43/1017603443.db2.gz SMDDSBLFJGDEQF-NEPJUHHUSA-N -1 0 320.349 -0.150 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1O ZINC001599562639 1017603954 /nfs/dbraw/zinc/60/39/54/1017603954.db2.gz OKUAHZCQUKWAPZ-MGCOHNPYSA-N -1 0 322.317 -0.004 20 0 DBADRM COc1ccc(CN(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nn1 ZINC001599558889 1017604111 /nfs/dbraw/zinc/60/41/11/1017604111.db2.gz NUDWLKUMRRHZRF-GHMZBOCLSA-N -1 0 308.338 -0.246 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1 ZINC001599586369 1017604165 /nfs/dbraw/zinc/60/41/65/1017604165.db2.gz QGLGVVDJJBIPGJ-GXSJLCMTSA-N -1 0 322.317 -0.072 20 0 DBADRM COc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])n1 ZINC001599640755 1017605055 /nfs/dbraw/zinc/60/50/55/1017605055.db2.gz MKTMGCMCLLMIRV-SNVBAGLBSA-N -1 0 307.306 -0.104 20 0 DBADRM COc1ccc(S(=O)(=O)N(CCO)CCO)c(C(=O)[O-])c1 ZINC001599607850 1017605793 /nfs/dbraw/zinc/60/57/93/1017605793.db2.gz HLXLOAJHBFIDBA-UHFFFAOYSA-N -1 0 319.335 -0.631 20 0 DBADRM COc1ccc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c(C(=O)[O-])c1 ZINC001599590919 1017606485 /nfs/dbraw/zinc/60/64/85/1017606485.db2.gz XMRSFSDEVHEEEQ-JHJVBQTASA-N -1 0 323.301 -0.255 20 0 DBADRM COc1ccc(NC(=O)Cn2cnc(C(N)=O)n2)c(C(=O)[O-])c1 ZINC001599592232 1017606575 /nfs/dbraw/zinc/60/65/75/1017606575.db2.gz WMUMLGVGXJHFFJ-UHFFFAOYSA-N -1 0 319.277 -0.278 20 0 DBADRM COc1ccc(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)c(C)c1F ZINC001599609572 1017606618 /nfs/dbraw/zinc/60/66/18/1017606618.db2.gz JRDPSPQRERZAHR-UHFFFAOYSA-N -1 0 319.310 -0.037 20 0 DBADRM COc1cccc(C[C@H](O)C(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC001599671369 1017607573 /nfs/dbraw/zinc/60/75/73/1017607573.db2.gz IJXYMNPSWWWZQJ-AWEZNQCLSA-N -1 0 322.361 -0.173 20 0 DBADRM COc1cccc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])c1F ZINC001599679577 1017608363 /nfs/dbraw/zinc/60/83/63/1017608363.db2.gz YYWIVRJTERKMTP-SSDOTTSWSA-N -1 0 314.269 -0.275 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)O[C@H]2C=CC[C@@H](C(=O)[O-])C2)C1 ZINC001599753660 1017623470 /nfs/dbraw/zinc/62/34/70/1017623470.db2.gz CWKVPYUOBSGPHR-SCZZXKLOSA-N -1 0 303.336 -0.160 20 0 DBADRM COc1cccnc1CNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001599719357 1017608451 /nfs/dbraw/zinc/60/84/51/1017608451.db2.gz ASGATDFXTYJWSH-UHFFFAOYSA-N -1 0 320.309 -0.121 20 0 DBADRM COc1cccnc1CC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001599719395 1017608840 /nfs/dbraw/zinc/60/88/40/1017608840.db2.gz BZZLBUUVZLVANG-UHFFFAOYSA-N -1 0 305.294 -0.261 20 0 DBADRM COc1ccccc1-c1nnc(CC(=O)N[C@@H](CO)C(=O)[O-])o1 ZINC001599695006 1017608915 /nfs/dbraw/zinc/60/89/15/1017608915.db2.gz ULRLZQKTXFLDPB-VIFPVBQESA-N -1 0 321.289 -0.151 20 0 DBADRM COc1cnc(C(=O)NCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])nc1 ZINC001599723907 1017610858 /nfs/dbraw/zinc/61/08/58/1017610858.db2.gz YHZAEMQIJGERAR-VHSXEESVSA-N -1 0 322.321 -0.606 20 0 DBADRM COc1cccn2c(=O)n(Cc3noc(CCC(=O)[O-])n3)nc12 ZINC001599719653 1017610892 /nfs/dbraw/zinc/61/08/92/1017610892.db2.gz VBUSEUMFJDCHPJ-UHFFFAOYSA-N -1 0 319.277 -0.047 20 0 DBADRM COc1cncc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)n1 ZINC001599726946 1017610969 /nfs/dbraw/zinc/61/09/69/1017610969.db2.gz BQBVBLQENANAPU-GFCCVEGCSA-N -1 0 312.257 -0.551 20 0 DBADRM COc1cnc(C(=O)NCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])nc1 ZINC001599723906 1017611476 /nfs/dbraw/zinc/61/14/76/1017611476.db2.gz YHZAEMQIJGERAR-UWVGGRQHSA-N -1 0 322.321 -0.606 20 0 DBADRM COc1coc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])cc1=O ZINC001599727545 1017612090 /nfs/dbraw/zinc/61/20/90/1017612090.db2.gz GPQAXZDUVHAOKX-QMMMGPOBSA-N -1 0 307.262 -0.272 20 0 DBADRM COc1nc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)co1 ZINC001599730118 1017612881 /nfs/dbraw/zinc/61/28/81/1017612881.db2.gz KWARUHUNBNWOGR-DTWKUNHWSA-N -1 0 323.305 -0.313 20 0 DBADRM COc1nc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)co1 ZINC001599730220 1017613393 /nfs/dbraw/zinc/61/33/93/1017613393.db2.gz MYWBFULQMDKHHG-RKDXNWHRSA-N -1 0 323.305 -0.408 20 0 DBADRM COc1ncc(/C=C/C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cn1 ZINC001599734821 1017613753 /nfs/dbraw/zinc/61/37/53/1017613753.db2.gz CCZKHDCMSQUQGQ-XVHVLHHCSA-N -1 0 307.306 -0.065 20 0 DBADRM COc1ncc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)cn1 ZINC001599732855 1017613809 /nfs/dbraw/zinc/61/38/09/1017613809.db2.gz BDXYCXBGXXJAMA-CYBMUJFWSA-N -1 0 306.278 -0.069 20 0 DBADRM COc1ncc(/C=C\C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001599734814 1017613826 /nfs/dbraw/zinc/61/38/26/1017613826.db2.gz CCZKHDCMSQUQGQ-HDTYDHQFSA-N -1 0 307.306 -0.065 20 0 DBADRM COc1nccc(CN2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001599735010 1017613905 /nfs/dbraw/zinc/61/39/05/1017613905.db2.gz CYTDFYUPQSAFGS-VXGBXAGGSA-N -1 0 320.349 -0.150 20 0 DBADRM COc1ncc(NC(=O)Cn2ccc(C(=O)[O-])n2)cc1C(N)=O ZINC001599734083 1017613948 /nfs/dbraw/zinc/61/39/48/1017613948.db2.gz MMLTZJYSGKGANY-UHFFFAOYSA-N -1 0 319.277 -0.278 20 0 DBADRM COc1nc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)co1 ZINC001599730121 1017613970 /nfs/dbraw/zinc/61/39/70/1017613970.db2.gz KWARUHUNBNWOGR-RKDXNWHRSA-N -1 0 323.305 -0.313 20 0 DBADRM COc1nccc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001599734303 1017614163 /nfs/dbraw/zinc/61/41/63/1017614163.db2.gz DTMGALRKXQDYNS-DTWKUNHWSA-N -1 0 320.305 -0.854 20 0 DBADRM CS(=O)(=O)C1(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)CCC1 ZINC001599742989 1017615934 /nfs/dbraw/zinc/61/59/34/1017615934.db2.gz BHCXJKVDPNSKAS-ZJUUUORDSA-N -1 0 319.379 -0.193 20 0 DBADRM COc1nn(C)cc1CNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599740149 1017616743 /nfs/dbraw/zinc/61/67/43/1017616743.db2.gz YGLKQVHQJOKADW-SNVBAGLBSA-N -1 0 312.326 -0.186 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CCN(CC(=O)[O-])CC2)CCCC1 ZINC001599743875 1017616764 /nfs/dbraw/zinc/61/67/64/1017616764.db2.gz LCXPIOWNCUFGMX-UHFFFAOYSA-N -1 0 318.395 -0.427 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001599747554 1017617700 /nfs/dbraw/zinc/61/77/00/1017617700.db2.gz BFFVJFGWZTZDAM-LPEHRKFASA-N -1 0 307.368 -0.601 20 0 DBADRM CS(=O)(=O)CC1(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])COC1 ZINC001599748378 1017617951 /nfs/dbraw/zinc/61/79/51/1017617951.db2.gz NMTIEMWAQNIBKY-VHSXEESVSA-N -1 0 319.379 -0.193 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N[C@]2(CC(=O)[O-])CCOC2)CC1 ZINC001599748312 1017618122 /nfs/dbraw/zinc/61/81/22/1017618122.db2.gz JNHORKGAYDOPEN-ZDUSSCGKSA-N -1 0 319.379 -0.049 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)NCC2(C(=O)[O-])CC2)CC1 ZINC001599747782 1017618164 /nfs/dbraw/zinc/61/81/64/1017618164.db2.gz CCBLGCYDGWOTCH-UHFFFAOYSA-N -1 0 304.368 -0.025 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001599747555 1017618558 /nfs/dbraw/zinc/61/85/58/1017618558.db2.gz BFFVJFGWZTZDAM-OPRDCNLKSA-N -1 0 307.368 -0.601 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCN(C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001599747954 1017618731 /nfs/dbraw/zinc/61/87/31/1017618731.db2.gz HISLSEBGPXMOAE-IUCAKERBSA-N -1 0 310.347 -0.125 20 0 DBADRM CS(=O)(=O)C1CCC(C(=O)NCC[C@H](O)C(=O)[O-])CC1 ZINC001599745866 1017618757 /nfs/dbraw/zinc/61/87/57/1017618757.db2.gz MKVVEVYVOYMPAR-RTBKNWGFSA-N -1 0 307.368 -0.458 20 0 DBADRM CCC(CC)C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001498102907 1017619972 /nfs/dbraw/zinc/61/99/72/1017619972.db2.gz VCUOMJNCTMUMMD-UHFFFAOYSA-N -1 0 322.365 -0.137 20 0 DBADRM CS(=O)(=O)Cc1cccc(C(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC001599752181 1017620248 /nfs/dbraw/zinc/62/02/48/1017620248.db2.gz MFRMNOCXNZSDPY-JTQLQIEISA-N -1 0 301.320 -0.594 20 0 DBADRM CS(=O)(=O)CCOCCNCc1ncc(C(=O)[O-])s1 ZINC001599751929 1017620262 /nfs/dbraw/zinc/62/02/62/1017620262.db2.gz WHXHHRIACXPERC-UHFFFAOYSA-N -1 0 308.381 -0.008 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599750726 1017620410 /nfs/dbraw/zinc/62/04/10/1017620410.db2.gz FRZQYGGSHVSECY-SNVBAGLBSA-N -1 0 322.383 -0.712 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001599750772 1017620675 /nfs/dbraw/zinc/62/06/75/1017620675.db2.gz IMRQBWBNUPCTLR-LURJTMIESA-N -1 0 323.339 -0.551 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001599749738 1017621062 /nfs/dbraw/zinc/62/10/62/1017621062.db2.gz WJEIROZHJZYOBP-NXEZZACHSA-N -1 0 322.383 -0.808 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)Nc2cc(C(=O)[O-])no2)CC1 ZINC001599754345 1017622511 /nfs/dbraw/zinc/62/25/11/1017622511.db2.gz QVOUNAFGLQRFCY-UHFFFAOYSA-N -1 0 317.323 -0.017 20 0 DBADRM CS(=O)(=O)N1CCC(CC(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001599754618 1017622677 /nfs/dbraw/zinc/62/26/77/1017622677.db2.gz FLJMEDWHSIRFMD-VIFPVBQESA-N -1 0 310.347 -0.413 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)CCSCC(=O)[O-])C1 ZINC001599754222 1017622702 /nfs/dbraw/zinc/62/27/02/1017622702.db2.gz NWSKLDZMEHSNHU-UHFFFAOYSA-N -1 0 310.397 -0.798 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C1 ZINC001599753677 1017623267 /nfs/dbraw/zinc/62/32/67/1017623267.db2.gz DVOUVZVDQSIZGF-RGOKHQFPSA-N -1 0 302.352 -0.897 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N2CCCCC[C@H]2C(=O)[O-])C1 ZINC001599754323 1017623487 /nfs/dbraw/zinc/62/34/87/1017623487.db2.gz ZSKWQWOGHUHYFE-JTQLQIEISA-N -1 0 304.368 -0.266 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001599757441 1017624126 /nfs/dbraw/zinc/62/41/26/1017624126.db2.gz HOPZUJDARFEKKP-VIFPVBQESA-N -1 0 315.351 -0.133 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=S)NCCCC(=O)[O-])C1 ZINC001599757489 1017624497 /nfs/dbraw/zinc/62/44/97/1017624497.db2.gz IJXOZOCQPJRWMO-UHFFFAOYSA-N -1 0 309.413 -0.605 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(c2nccc(C(=O)[O-])n2)C1 ZINC001599758662 1017624517 /nfs/dbraw/zinc/62/45/17/1017624517.db2.gz TZERPDMKNKTDPE-SECBINFHSA-N -1 0 314.367 -0.060 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001599757105 1017625030 /nfs/dbraw/zinc/62/50/30/1017625030.db2.gz BZLJUPNAWMDGOQ-YTWAJWBKSA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC001599757164 1017625278 /nfs/dbraw/zinc/62/52/78/1017625278.db2.gz CWXRMKZRDNAWFJ-SECBINFHSA-N -1 0 314.367 -0.312 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC001599757508 1017625464 /nfs/dbraw/zinc/62/54/64/1017625464.db2.gz JJBADKBHZLUFQO-UHFFFAOYSA-N -1 0 324.424 -0.266 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCC2(C(=O)[O-])CC2)C1 ZINC001599757348 1017625759 /nfs/dbraw/zinc/62/57/59/1017625759.db2.gz HJQMZWAPNYKSCG-SECBINFHSA-N -1 0 319.383 -0.426 20 0 DBADRM CS(=O)(=O)[C@@H]1CN(C(=O)CC(=O)[O-])C[C@H]1C(F)(F)F ZINC001599762387 1017626579 /nfs/dbraw/zinc/62/65/79/1017626579.db2.gz NIUFESKWKMNEAP-PHDIDXHHSA-N -1 0 303.258 -0.105 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])co1 ZINC001599763919 1017626664 /nfs/dbraw/zinc/62/66/64/1017626664.db2.gz GLONRNQUYZSYPO-MRVPVSSYSA-N -1 0 303.292 -0.391 20 0 DBADRM CS(=O)(=O)Nc1cc(C(=O)N[C@@H](CO)C(=O)[O-])ccc1F ZINC001599760592 1017626679 /nfs/dbraw/zinc/62/66/79/1017626679.db2.gz ZSDAEPCVENUGJU-VIFPVBQESA-N -1 0 320.298 -0.628 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C1=CCOCC1)C(=O)[O-] ZINC001599763056 1017627042 /nfs/dbraw/zinc/62/70/42/1017627042.db2.gz UDYLQIDTLDPLQE-JOYOIKCWSA-N -1 0 303.336 -0.663 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@H](NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001599763054 1017627174 /nfs/dbraw/zinc/62/71/74/1017627174.db2.gz UCIPYHOQMKPKFD-MMWGEVLESA-N -1 0 319.379 -0.052 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CCn1cccc1)C(=O)[O-] ZINC001599762318 1017627257 /nfs/dbraw/zinc/62/72/57/1017627257.db2.gz DOWNQPQPBLOSOM-GXFFZTMASA-N -1 0 314.363 -0.118 20 0 DBADRM CS(=O)(=O)NCCCOC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001599761230 1017627670 /nfs/dbraw/zinc/62/76/70/1017627670.db2.gz OVSBQMKKBUQMQS-UHFFFAOYSA-N -1 0 305.312 -0.936 20 0 DBADRM CS(=O)(=O)c1ccnc(N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC001599774096 1017629168 /nfs/dbraw/zinc/62/91/68/1017629168.db2.gz SKKJYAXXGWACKK-MRVPVSSYSA-N -1 0 301.324 -0.440 20 0 DBADRM CS(=O)(=O)c1cccc(NC(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001599773143 1017629426 /nfs/dbraw/zinc/62/94/26/1017629426.db2.gz UKPVEMNCHXXSJP-UHFFFAOYSA-N -1 0 314.319 -0.247 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)o1 ZINC001599767759 1017629710 /nfs/dbraw/zinc/62/97/10/1017629710.db2.gz YNROXJVOFJEUTO-QMMMGPOBSA-N -1 0 317.319 -0.001 20 0 DBADRM CS(=O)(=O)c1nccc(C(=O)N[C@@H](CCF)C(=O)[O-])n1 ZINC001599776422 1017631340 /nfs/dbraw/zinc/63/13/40/1017631340.db2.gz ZRSJGFMMIHDBOO-ZETCQYMHSA-N -1 0 305.287 -0.577 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001599777638 1017631494 /nfs/dbraw/zinc/63/14/94/1017631494.db2.gz XLCVJADTQDASOU-BTKVJGODSA-N -1 0 316.379 -0.806 20 0 DBADRM C[S@](=O)C1(CNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC001599775577 1017631850 /nfs/dbraw/zinc/63/18/50/1017631850.db2.gz OFYGGTGYAATVOE-GTJPDFRWSA-N -1 0 316.379 -0.663 20 0 DBADRM CS(C)(=O)=NCCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001599781760 1017631914 /nfs/dbraw/zinc/63/19/14/1017631914.db2.gz VCSMCEWVYCZTKW-UHFFFAOYSA-N -1 0 310.357 -0.886 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001599776350 1017631966 /nfs/dbraw/zinc/63/19/66/1017631966.db2.gz FXCNQGHXSNUTSQ-OAQYLSRUSA-N -1 0 316.310 -0.043 20 0 DBADRM CS(=O)(=O)c1nccc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])n1 ZINC001599775312 1017632038 /nfs/dbraw/zinc/63/20/38/1017632038.db2.gz LFJDPUOQZAJTBC-SFYZADRCSA-N -1 0 313.335 -0.137 20 0 DBADRM CS(C)(=O)=NC(=O)CNS(=O)(=O)c1occc1C(=O)[O-] ZINC001599780529 1017632148 /nfs/dbraw/zinc/63/21/48/1017632148.db2.gz SHPBGCSUSSRXIN-UHFFFAOYSA-N -1 0 324.336 -0.490 20 0 DBADRM CS(=O)(=O)c1ncnn1[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001599775402 1017632278 /nfs/dbraw/zinc/63/22/78/1017632278.db2.gz LTRNHKXUIXNWMN-QMMMGPOBSA-N -1 0 316.339 -0.680 20 0 DBADRM C[S@@](=O)c1nncn1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001599778827 1017632518 /nfs/dbraw/zinc/63/25/18/1017632518.db2.gz BOGCXKMPGICYHN-OAQYLSRUSA-N -1 0 309.307 -0.253 20 0 DBADRM CS(C)(=O)=NCCNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001599781782 1017632548 /nfs/dbraw/zinc/63/25/48/1017632548.db2.gz VYIRDADKSBVGHU-UHFFFAOYSA-N -1 0 312.413 -0.112 20 0 DBADRM C[C@@H](CC(=O)N1CC(O)(C(=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001599833632 1017633777 /nfs/dbraw/zinc/63/37/77/1017633777.db2.gz QVRICJKURDZDOR-QMMMGPOBSA-N -1 0 302.327 -0.052 20 0 DBADRM CSCCCNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001599799568 1017634391 /nfs/dbraw/zinc/63/43/91/1017634391.db2.gz FBPYSJUWYQLJIG-RKDXNWHRSA-N -1 0 304.368 -0.850 20 0 DBADRM CSc1ncc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c(=O)[nH]1 ZINC001599827312 1017634556 /nfs/dbraw/zinc/63/45/56/1017634556.db2.gz DFXRMOSOUZWINT-RNFRBKRXSA-N -1 0 313.335 -0.188 20 0 DBADRM CSCc1noc(CCC(=O)NC[C@@](C)(O)C(=O)[O-])n1 ZINC001599805123 1017635137 /nfs/dbraw/zinc/63/51/37/1017635137.db2.gz ZWYWKKIBWRTSGU-LLVKDONJSA-N -1 0 303.340 -0.183 20 0 DBADRM CSCC[C@H](O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599796702 1017635310 /nfs/dbraw/zinc/63/53/10/1017635310.db2.gz UKXHPFMFZFXECE-CABZTGNLSA-N -1 0 302.352 -0.068 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)CCc1nnc[nH]1 ZINC001599836361 1017635962 /nfs/dbraw/zinc/63/59/62/1017635962.db2.gz HFOOGVSBDSJXSM-QMMMGPOBSA-N -1 0 319.325 -0.736 20 0 DBADRM C[C@@H](CCNC(=O)C(C)(C)C(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001599834996 1017636689 /nfs/dbraw/zinc/63/66/89/1017636689.db2.gz BCSUBHVZPJLVQF-QMMMGPOBSA-N -1 0 323.353 -0.007 20 0 DBADRM C[C@@H](CNC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])[NH+](C)C ZINC001599837059 1017636847 /nfs/dbraw/zinc/63/68/47/1017636847.db2.gz YKNJKZPFELSCCM-AEJSXWLSSA-N -1 0 301.343 -0.104 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)CNC(=O)C1CC1 ZINC001599836765 1017637081 /nfs/dbraw/zinc/63/70/81/1017637081.db2.gz RZDMMFBTENRYJJ-QMMMGPOBSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC001599838436 1017637318 /nfs/dbraw/zinc/63/73/18/1017637318.db2.gz UDPHFDIEUCZPIX-ZJUUUORDSA-N -1 0 324.341 -0.966 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)c1ccc(=O)[nH]n1 ZINC001599836267 1017637327 /nfs/dbraw/zinc/63/73/27/1017637327.db2.gz FZYAATYNFHLTSS-ZETCQYMHSA-N -1 0 318.293 -0.099 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]1C(=O)[O-] ZINC001599843559 1017638341 /nfs/dbraw/zinc/63/83/41/1017638341.db2.gz JRSDMGMEARNMLL-HLTSFMKQSA-N -1 0 302.327 -0.054 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)Cn1cc(Br)cn1)C(=O)[O-] ZINC001599843887 1017639170 /nfs/dbraw/zinc/63/91/70/1017639170.db2.gz QJFHPKAJGNYHFP-XRGYYRRGSA-N -1 0 306.116 -0.404 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cc(-n2ccnn2)ccc1F)C(=O)[O-] ZINC001599845785 1017639041 /nfs/dbraw/zinc/63/90/41/1017639041.db2.gz XOFMKGPQZLEDRM-HQJQHLMTSA-N -1 0 308.269 -0.030 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001599844931 1017639239 /nfs/dbraw/zinc/63/92/39/1017639239.db2.gz YXHIHMLLLHYCKM-PTRXPTGYSA-N -1 0 324.337 -0.887 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CNC(=O)COc1ccccc1)C(=O)[O-] ZINC001599843342 1017639267 /nfs/dbraw/zinc/63/92/67/1017639267.db2.gz BTMMVOJRAIWJPH-RNCFNFMXSA-N -1 0 310.306 -0.868 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1)C(=O)[O-] ZINC001599845658 1017639490 /nfs/dbraw/zinc/63/94/90/1017639490.db2.gz OLQGNXUIEZAZEN-JFUSQASVSA-N -1 0 308.290 -0.004 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1c[nH]c2ncncc21)C(=O)[O-] ZINC001599845086 1017639526 /nfs/dbraw/zinc/63/95/26/1017639526.db2.gz JUZBFXWVFSXOKS-XRGYYRRGSA-N -1 0 300.296 -0.978 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12)C(=O)[O-] ZINC001599844302 1017639697 /nfs/dbraw/zinc/63/96/97/1017639697.db2.gz JULDKXUUSWSJJU-FEJOFABCSA-N -1 0 304.302 -0.153 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](n3cncn3)C2)C[C@H]1C(=O)[O-] ZINC001599850021 1017640868 /nfs/dbraw/zinc/64/08/68/1017640868.db2.gz UWQPPOZOGWVZKU-GMTAPVOTSA-N -1 0 321.337 -0.769 20 0 DBADRM C[C@@H]1CCCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)[C@@H]1CO ZINC001599848726 1017640999 /nfs/dbraw/zinc/64/09/99/1017640999.db2.gz RJXFQMMHFURVTQ-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(F)(F)C2)C[C@@H](C(=O)[O-])O1 ZINC001599849726 1017641145 /nfs/dbraw/zinc/64/11/45/1017641145.db2.gz QVEWKAKTVQCDIG-SFYZADRCSA-N -1 0 306.265 -0.446 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCc2cnn(C)c2)C[C@H]1CC(=O)[O-] ZINC001599849874 1017641435 /nfs/dbraw/zinc/64/14/35/1017641435.db2.gz GRYZZQNTMNRWBL-ZYHUDNBSSA-N -1 0 322.365 -0.352 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C[C@H]1CC(=O)[O-] ZINC001599849125 1017641964 /nfs/dbraw/zinc/64/19/64/1017641964.db2.gz GKVRFXIKQBBGBO-KKOKHZNYSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CF)C2)C[C@@H](C(=O)[O-])O1 ZINC001599849481 1017641983 /nfs/dbraw/zinc/64/19/83/1017641983.db2.gz MOZNHBOVEZHLQU-UTLUCORTSA-N -1 0 302.302 -0.495 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CC(=O)[O-] ZINC001599855527 1017642826 /nfs/dbraw/zinc/64/28/26/1017642826.db2.gz ATWCFYROVNXQKG-DBIOUOCHSA-N -1 0 313.354 -0.229 20 0 DBADRM C[C@@H]1CN(C(=O)CCc2nc(-c3nc[nH]n3)no2)C[C@H]1C(=O)[O-] ZINC001599853672 1017643308 /nfs/dbraw/zinc/64/33/08/1017643308.db2.gz OHTPKZIIKXPDBF-HTQZYQBOSA-N -1 0 320.309 -0.034 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCS1 ZINC001599851017 1017643563 /nfs/dbraw/zinc/64/35/63/1017643563.db2.gz WKLYCHLCNONUJE-NXEZZACHSA-N -1 0 316.379 -0.348 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)C[C@H]1CC(=O)[O-] ZINC001599855528 1017644278 /nfs/dbraw/zinc/64/42/78/1017644278.db2.gz ATWCFYROVNXQKG-GWOFURMSSA-N -1 0 313.354 -0.229 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCCO2)C[C@@H](C(=O)[O-])O1 ZINC001599850556 1017644444 /nfs/dbraw/zinc/64/44/44/1017644444.db2.gz WETFHBRIVJODTM-MXWKQRLJSA-N -1 0 314.338 -0.628 20 0 DBADRM C[C@@H]1CN(C(=O)NCCO[C@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599858810 1017645263 /nfs/dbraw/zinc/64/52/63/1017645263.db2.gz TZVKIGDGSZIIOG-VWYCJHECSA-N -1 0 302.327 -0.325 20 0 DBADRM C[C@@H]1CN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001599855722 1017645455 /nfs/dbraw/zinc/64/54/55/1017645455.db2.gz OZBRADQEYHXOOH-UTLUCORTSA-N -1 0 320.367 -0.601 20 0 DBADRM C[C@@H]1CN(C(=O)NCCOC[C@@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599858381 1017645930 /nfs/dbraw/zinc/64/59/30/1017645930.db2.gz ANGLFBHSPXAHJG-UTUOFQBUSA-N -1 0 316.354 -0.077 20 0 DBADRM C[C@@H]1CN(Cn2nc(CO)n(C)c2=S)C[C@@H](C(=O)[O-])O1 ZINC001599867651 1017647313 /nfs/dbraw/zinc/64/73/13/1017647313.db2.gz GYIHUYOHABMSOS-SFYZADRCSA-N -1 0 302.356 -0.425 20 0 DBADRM C[C@@H]1CN(c2nnnn2CCO[C@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001599872448 1017648026 /nfs/dbraw/zinc/64/80/26/1017648026.db2.gz VEUOUGGZDQUWFL-OUAUKWLOSA-N -1 0 311.342 -0.365 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N=S(C)(C)=O)C[C@@H](C(=O)[O-])O1 ZINC001599867898 1017648255 /nfs/dbraw/zinc/64/82/55/1017648255.db2.gz ATJTXSMWWIUEEG-RQJHMYQMSA-N -1 0 300.358 -0.867 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1occc1C(=O)[O-] ZINC001599871179 1017648790 /nfs/dbraw/zinc/64/87/90/1017648790.db2.gz PVJJHCWCEQGROK-SVRRBLITSA-N -1 0 323.348 -0.311 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN([S@](C)(=N)=O)CC2)O[C@H]1C(=O)[O-] ZINC001599875129 1017649665 /nfs/dbraw/zinc/64/96/65/1017649665.db2.gz YSZBPKSRHIJONM-NZNBFCPWSA-N -1 0 319.383 -0.400 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)O[C@H]1C(=O)[O-] ZINC001599873707 1017649908 /nfs/dbraw/zinc/64/99/08/1017649908.db2.gz INDJLOPHRJABKV-YBPUZQHNSA-N -1 0 324.333 -0.530 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC[C@@H](CO)[C@H]2CCOC2)O[C@H]1C(=O)[O-] ZINC001599874484 1017650395 /nfs/dbraw/zinc/65/03/95/1017650395.db2.gz DTJSDGXBBSCKSI-YBXAARCKSA-N -1 0 301.339 -0.374 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)O[C@H]1C(=O)[O-] ZINC001599873274 1017650519 /nfs/dbraw/zinc/65/05/19/1017650519.db2.gz JQTBQGWLYOJFDA-GWOFURMSSA-N -1 0 319.379 -0.242 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC001599877676 1017651623 /nfs/dbraw/zinc/65/16/23/1017651623.db2.gz OGNCEOWMKGXAQW-NXEZZACHSA-N -1 0 311.338 -0.331 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCS(=O)(=O)N(C)C ZINC001599877582 1017651715 /nfs/dbraw/zinc/65/17/15/1017651715.db2.gz XLMYUTXGVSLALK-NXEZZACHSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C[C@@H]1CNCCS1(=O)=O ZINC001599877615 1017651809 /nfs/dbraw/zinc/65/18/09/1017651809.db2.gz KEXIXQUGQDQEOQ-GMTAPVOTSA-N -1 0 318.395 -0.525 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1CCC(=O)N1 ZINC001599891100 1017652118 /nfs/dbraw/zinc/65/21/18/1017652118.db2.gz IZJDBEHZFSSKIF-VXNVDRBHSA-N -1 0 307.310 -0.630 20 0 DBADRM C[C@]12CN(Cn3cnc(C(=O)[O-])n3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001599884946 1017652315 /nfs/dbraw/zinc/65/23/15/1017652315.db2.gz QAIOAQPFEAOBGH-TXEJJXNPSA-N -1 0 314.367 -0.310 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1CCC(=O)N1C ZINC001599891054 1017652920 /nfs/dbraw/zinc/65/29/20/1017652920.db2.gz IGUOEBFZWZUPQI-RKDXNWHRSA-N -1 0 321.337 -0.866 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1ccccc1N ZINC001599886076 1017653129 /nfs/dbraw/zinc/65/31/29/1017653129.db2.gz PTRPGBXVFWJXCV-MRVPVSSYSA-N -1 0 315.351 -0.521 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001599888279 1017653257 /nfs/dbraw/zinc/65/32/57/1017653257.db2.gz LEYMTKXAZYSXEL-UTUOFQBUSA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)C(N)=O ZINC001599893187 1017654214 /nfs/dbraw/zinc/65/42/14/1017654214.db2.gz AIBADJBNZAVGQL-YUMQZZPRSA-N -1 0 317.342 -0.266 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N(C)C[C@H]1COCCO1)C(=O)[O-] ZINC001599896269 1017654419 /nfs/dbraw/zinc/65/44/19/1017654419.db2.gz RPWIMISZQYYEDA-GUBZILKMSA-N -1 0 317.342 -0.979 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001599891744 1017654444 /nfs/dbraw/zinc/65/44/44/1017654444.db2.gz SECDDYBAPPZKNN-BDAKNGLRSA-N -1 0 321.337 -0.430 20 0 DBADRM C[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)C(=O)[O-] ZINC001599893509 1017655135 /nfs/dbraw/zinc/65/51/35/1017655135.db2.gz IXHOJHMLIJGKNP-XVKPBYJWSA-N -1 0 305.290 -0.284 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC(C)(C)C(C)(C)O)C(=O)[O-] ZINC001599896165 1017655474 /nfs/dbraw/zinc/65/54/74/1017655474.db2.gz IDUBHFUENKWLQT-YUMQZZPRSA-N -1 0 303.359 -0.187 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CCn2cncc2C1)C(=O)[O-] ZINC001599895001 1017655525 /nfs/dbraw/zinc/65/55/25/1017655525.db2.gz DIIVFAKIVYJIEL-GUBZILKMSA-N -1 0 308.338 -0.461 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC[C@]1(C)CO)C(=O)[O-] ZINC001599898002 1017656514 /nfs/dbraw/zinc/65/65/14/1017656514.db2.gz RCQOVJRMCSVWDD-MWODSPESSA-N -1 0 301.343 -0.479 20 0 DBADRM C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001599896716 1017656918 /nfs/dbraw/zinc/65/69/18/1017656918.db2.gz UHGDRFWPKLNJHI-JTQLQIEISA-N -1 0 322.317 -0.041 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC2(CCO2)CC1)C(=O)[O-] ZINC001599898490 1017656946 /nfs/dbraw/zinc/65/69/46/1017656946.db2.gz VCCBAUKSVXVEJV-UWVGGRQHSA-N -1 0 313.354 -0.071 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1O)C(=O)[O-] ZINC001599898654 1017657206 /nfs/dbraw/zinc/65/72/06/1017657206.db2.gz ZVYJCQUPPGTERD-AXTSPUMRSA-N -1 0 301.343 -0.433 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001599902498 1017658574 /nfs/dbraw/zinc/65/85/74/1017658574.db2.gz BEMZUQKVIRBJEJ-IQJOONFLSA-N -1 0 310.306 -0.166 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cnc(N(C)C)cn1)C(=O)[O-] ZINC001599898713 1017659096 /nfs/dbraw/zinc/65/90/96/1017659096.db2.gz KSSODKSGHIEXNV-YUMQZZPRSA-N -1 0 309.326 -0.750 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)C1CCC(=O)CC1)C(=O)[O-] ZINC001599900289 1017659102 /nfs/dbraw/zinc/65/91/02/1017659102.db2.gz IIZAWTANOOMHFN-YUMQZZPRSA-N -1 0 320.367 -0.605 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cnn(C(F)F)c1)C(=O)[O-] ZINC001599898776 1017659618 /nfs/dbraw/zinc/65/96/18/1017659618.db2.gz MQYLFNRIVAZBCK-WDSKDSINSA-N -1 0 304.253 -0.014 20 0 DBADRM C[C@H]1C(=O)NCCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001599905610 1017659757 /nfs/dbraw/zinc/65/97/57/1017659757.db2.gz SOFRKYQWDNLXQD-LURJTMIESA-N -1 0 302.312 -0.993 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](CF)C2)C[C@@H](C(=O)[O-])O1 ZINC001599910178 1017661182 /nfs/dbraw/zinc/66/11/82/1017661182.db2.gz MOZNHBOVEZHLQU-GUBZILKMSA-N -1 0 302.302 -0.495 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@H](CF)C2)C[C@@H](C(=O)[O-])O1 ZINC001599910177 1017661463 /nfs/dbraw/zinc/66/14/63/1017661463.db2.gz MOZNHBOVEZHLQU-AEJSXWLSSA-N -1 0 302.302 -0.495 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCCO2)C[C@@H](C(=O)[O-])O1 ZINC001599912037 1017663018 /nfs/dbraw/zinc/66/30/18/1017663018.db2.gz CVIXSIZAFWAYIA-AXFHLTTASA-N -1 0 314.338 -0.628 20 0 DBADRM C[C@H]1CN(C(=O)[C@@]23CCC(=O)N2CCS3)C[C@@H](C(=O)[O-])O1 ZINC001599914707 1017663071 /nfs/dbraw/zinc/66/30/71/1017663071.db2.gz RZRNAAMENPSYIJ-RVBZMBCESA-N -1 0 314.363 -0.248 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C[C@]1(C)C(=O)[O-] ZINC001599913381 1017663375 /nfs/dbraw/zinc/66/33/75/1017663375.db2.gz RJZGQGYXRMFAJN-KWBADKCTSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCC[S@](C)=O)CC[C@H]1C(=O)[O-] ZINC001599914025 1017663713 /nfs/dbraw/zinc/66/37/13/1017663713.db2.gz WCNCSEPVSMEESH-WDKLKTEZSA-N -1 0 304.368 -0.950 20 0 DBADRM C[C@H]1CN(C(=O)NCCCc2ncn(C)n2)C[C@@H](C(=O)[O-])O1 ZINC001599919881 1017664671 /nfs/dbraw/zinc/66/46/71/1017664671.db2.gz KXKQWKULORMUCP-UWVGGRQHSA-N -1 0 311.342 -0.369 20 0 DBADRM C[C@H]1CN(C(=O)c2cn(CC3(C)COC3)nn2)C[C@@H](C(=O)[O-])O1 ZINC001599926068 1017664824 /nfs/dbraw/zinc/66/48/24/1017664824.db2.gz HRBSPWZLHRBYDQ-ONGXEEELSA-N -1 0 324.337 -0.371 20 0 DBADRM C[C@H]1CN(C(=O)NCC2(C(=O)[O-])CC2)CCN1S(C)(=O)=O ZINC001599920275 1017665601 /nfs/dbraw/zinc/66/56/01/1017665601.db2.gz VDNFJDFHZRTDEI-VIFPVBQESA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@H]1CN(C(=O)NCCN2C(=O)CNC2=O)C[C@]1(C)C(=O)[O-] ZINC001599919465 1017666143 /nfs/dbraw/zinc/66/61/43/1017666143.db2.gz FUWLZSZHEKZRTQ-SDBXPKJASA-N -1 0 312.326 -0.710 20 0 DBADRM C[C@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@@H](C(=O)[O-])O1 ZINC001599917442 1017666234 /nfs/dbraw/zinc/66/62/34/1017666234.db2.gz FEWXOMVYSOBDKF-KWQFWETISA-N -1 0 307.306 -0.577 20 0 DBADRM C[C@H]1CN(C(=O)Nc2c(C(=O)[O-])cnn2C)CCS1(=O)=O ZINC001599922056 1017666641 /nfs/dbraw/zinc/66/66/41/1017666641.db2.gz OJGQDWGQQYXEQQ-ZETCQYMHSA-N -1 0 316.339 -0.231 20 0 DBADRM C[C@H]1CN(c2nnnn2CCc2cccnc2)C[C@@H](C(=O)[O-])O1 ZINC001599932720 1017667818 /nfs/dbraw/zinc/66/78/18/1017667818.db2.gz AFANKBFXFWQRMS-JQWIXIFHSA-N -1 0 318.337 -0.011 20 0 DBADRM C[C@H]1CN(c2nnc(-c3ccnn3C)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599932070 1017668326 /nfs/dbraw/zinc/66/83/26/1017668326.db2.gz YARUFZKMFLFDKK-WPRPVWTQSA-N -1 0 306.326 -0.106 20 0 DBADRM C[C@H]1CN(S(=O)(=O)C[C@H]2CCCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599930010 1017668766 /nfs/dbraw/zinc/66/87/66/1017668766.db2.gz HEWFAUVCIIIJCE-DCAQKATOSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@H]1CN(S(=O)(=O)C[C@@H]2CCCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599930009 1017668816 /nfs/dbraw/zinc/66/88/16/1017668816.db2.gz HEWFAUVCIIIJCE-AXFHLTTASA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@H]1CN(C(=S)NCCCC(=O)[O-])CCN1S(C)(=O)=O ZINC001599927635 1017668860 /nfs/dbraw/zinc/66/88/60/1017668860.db2.gz YGTXDKPCSZPSNU-VIFPVBQESA-N -1 0 323.440 -0.309 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CCCC(=O)[O-])C[C@H](C)N1CCO ZINC001599930419 1017669131 /nfs/dbraw/zinc/66/91/31/1017669131.db2.gz LXTRYTCVLVXZEF-PHIMTYICSA-N -1 0 308.400 -0.432 20 0 DBADRM C[C@H]1CN(CN2C(=O)N[C@@](C)(C3CC3)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599928785 1017669263 /nfs/dbraw/zinc/66/92/63/1017669263.db2.gz XKHJENZRCKOZIV-BXGCZWRVSA-N -1 0 311.338 -0.162 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001599941884 1017670609 /nfs/dbraw/zinc/67/06/09/1017670609.db2.gz YSYHCPWKVLBJEZ-UHFFFAOYSA-N -1 0 313.335 -0.169 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001599940804 1017670840 /nfs/dbraw/zinc/67/08/40/1017670840.db2.gz SVURQHFTURLWIH-BDAKNGLRSA-N -1 0 324.337 -0.325 20 0 DBADRM Cc1[nH]c(C(=O)CN[C@]2(C(N)=O)CCOC2)c(C)c1C(=O)[O-] ZINC001599946668 1017671300 /nfs/dbraw/zinc/67/13/00/1017671300.db2.gz CYQKQFRULPKBGZ-CQSZACIVSA-N -1 0 309.322 -0.254 20 0 DBADRM Cc1nc2nc[nH]n2c(=O)c1CCOC(=O)[C@H](C)CC(=O)[O-] ZINC001599967141 1017671627 /nfs/dbraw/zinc/67/16/27/1017671627.db2.gz WQXZAMBLLZQCSI-SSDOTTSWSA-N -1 0 308.294 -0.077 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC2CC1(C(=O)[O-])C2 ZINC001599967235 1017671681 /nfs/dbraw/zinc/67/16/81/1017671681.db2.gz ZEPULZIPHIZMAE-UHFFFAOYSA-N -1 0 316.317 -0.051 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001599959051 1017671897 /nfs/dbraw/zinc/67/18/97/1017671897.db2.gz ODPTYYWURFFOKN-SNVBAGLBSA-N -1 0 320.305 -0.560 20 0 DBADRM Cc1nc[nH]c1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001599967447 1017672045 /nfs/dbraw/zinc/67/20/45/1017672045.db2.gz FIZUKFVLFWQWQX-NXEZZACHSA-N -1 0 306.322 -0.278 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCC1(C(=O)[O-])CC1 ZINC001599967032 1017672152 /nfs/dbraw/zinc/67/21/52/1017672152.db2.gz SGOAKWMDDOHXET-UHFFFAOYSA-N -1 0 304.306 -0.145 20 0 DBADRM Cc1nc(=O)[nH]c(SCCCS(N)(=O)=O)c1C(=O)[O-] ZINC001599942061 1017672164 /nfs/dbraw/zinc/67/21/64/1017672164.db2.gz NKGCCNIABYKASK-UHFFFAOYSA-N -1 0 307.353 -0.040 20 0 DBADRM Cc1nc[nH]c1CC(=O)NCCCNc1ccnc(C(=O)[O-])n1 ZINC001599968178 1017673466 /nfs/dbraw/zinc/67/34/66/1017673466.db2.gz KZNZBMOFMATIIT-UHFFFAOYSA-N -1 0 318.337 -0.211 20 0 DBADRM Cc1c(C(=O)N2CC(O)(C(=O)[O-])C2)cnn1-c1ccccn1 ZINC001599975506 1017673795 /nfs/dbraw/zinc/67/37/95/1017673795.db2.gz QRTXSQFRACGWNG-UHFFFAOYSA-N -1 0 302.290 -0.153 20 0 DBADRM Cc1c(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nnn1C ZINC001599974977 1017673808 /nfs/dbraw/zinc/67/38/08/1017673808.db2.gz DLCNKMHYNSRQHF-NXEZZACHSA-N -1 0 321.337 -0.968 20 0 DBADRM Cc1nc[nH]c1CC(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599968263 1017674344 /nfs/dbraw/zinc/67/43/44/1017674344.db2.gz ODDQQIRPTCRKER-WDEREUQCSA-N -1 0 320.349 -0.349 20 0 DBADRM Cc1c(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])nnn1-c1ccn(C)n1 ZINC001599977047 1017674737 /nfs/dbraw/zinc/67/47/37/1017674737.db2.gz RRRZWGRMRCZFIK-IUCAKERBSA-N -1 0 322.300 -0.054 20 0 DBADRM Cc1c(C(=O)N[C@@](C)(CO)C(=O)[O-])nnn1Cc1ccncc1 ZINC001599979242 1017674984 /nfs/dbraw/zinc/67/49/84/1017674984.db2.gz VWOWZJRNOJGNHG-AWEZNQCLSA-N -1 0 319.321 -0.405 20 0 DBADRM Cc1n[nH]cc1C(=O)NCC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599969516 1017675025 /nfs/dbraw/zinc/67/50/25/1017675025.db2.gz YNOZMOWBNXQFEI-UWVGGRQHSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1c(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nnn1C ZINC001599983281 1017676196 /nfs/dbraw/zinc/67/61/96/1017676196.db2.gz IULSXJBUPQQWFX-XKNYDFJKSA-N -1 0 321.337 -0.779 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)[C@@H](O)Cc2cnn(C)c2)n1C ZINC001599989833 1017676355 /nfs/dbraw/zinc/67/63/55/1017676355.db2.gz UCOWCMBVMIYMQK-ZDUSSCGKSA-N -1 0 320.349 -0.015 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)CN2C(=O)CCC2=O)n1C ZINC001599991293 1017676480 /nfs/dbraw/zinc/67/64/80/1017676480.db2.gz PEAOOQTVKSAMAW-UHFFFAOYSA-N -1 0 307.306 -0.203 20 0 DBADRM Cc1c(C(=O)NC[C@H](C)Nc2ncc(C(=O)[O-])cn2)nnn1C ZINC001599980698 1017676502 /nfs/dbraw/zinc/67/65/02/1017676502.db2.gz ONBLZUSDPLCBHZ-ZETCQYMHSA-N -1 0 319.325 -0.158 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)N2C[C@@H](O)C[C@H]2CO)n1C ZINC001599990412 1017676583 /nfs/dbraw/zinc/67/65/83/1017676583.db2.gz ZOSDSHZPCFTJNE-QWRGUYRKSA-N -1 0 311.338 -0.331 20 0 DBADRM Cc1c(C(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])cnn1C ZINC001599983601 1017676730 /nfs/dbraw/zinc/67/67/30/1017676730.db2.gz WKAIHYKZXMMRPM-UHFFFAOYSA-N -1 0 309.282 -0.227 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)CN(C)S(C)(=O)=O)n1C ZINC001599991529 1017676808 /nfs/dbraw/zinc/67/68/08/1017676808.db2.gz QNNRZGVZHVJMHC-UHFFFAOYSA-N -1 0 317.367 -0.461 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)NCc2nnn(C)n2)n1C ZINC001599992187 1017676966 /nfs/dbraw/zinc/67/69/66/1017676966.db2.gz ULRIPDXXULCHKL-UHFFFAOYSA-N -1 0 307.314 -0.445 20 0 DBADRM Cc1c([C@H](C)NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cnn1C ZINC001600009246 1017677947 /nfs/dbraw/zinc/67/79/47/1017677947.db2.gz UJPWYIHWJRZZNK-WPRPVWTQSA-N -1 0 308.338 -0.161 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)cnn1C ZINC001600026685 1017678418 /nfs/dbraw/zinc/67/84/18/1017678418.db2.gz QMJVPBRCAXXCOJ-UHFFFAOYSA-N -1 0 310.310 -0.895 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCOC[C@H]2C)cnn1CC(=O)[O-] ZINC001600024886 1017678875 /nfs/dbraw/zinc/67/88/75/1017678875.db2.gz MGHGRHPOVFXEBL-MRVPVSSYSA-N -1 0 310.310 -0.538 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@H](CO)CC2CC2)cnn1CC(=O)[O-] ZINC001600029298 1017679698 /nfs/dbraw/zinc/67/96/98/1017679698.db2.gz ZFRBTURVYFGDNC-JTQLQIEISA-N -1 0 324.337 -0.508 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H]2CCSC2)cnn1CC(=O)[O-] ZINC001600028986 1017679721 /nfs/dbraw/zinc/67/97/21/1017679721.db2.gz WCUXZCPMTPJPPG-MRVPVSSYSA-N -1 0 312.351 -0.164 20 0 DBADRM Cc1c(NC(=O)CN2C(=O)NC(=O)C2(C)C)cnn1CC(=O)[O-] ZINC001600033716 1017679732 /nfs/dbraw/zinc/67/97/32/1017679732.db2.gz NAWWFTZNIPYNPR-UHFFFAOYSA-N -1 0 323.309 -0.455 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2O)cnn1CC(=O)[O-] ZINC001600029783 1017679739 /nfs/dbraw/zinc/67/97/39/1017679739.db2.gz NYQQATKHYXCBHE-MWLCHTKSSA-N -1 0 324.337 -0.366 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCn2ccnc2)cnn1CC(=O)[O-] ZINC001600029505 1017680327 /nfs/dbraw/zinc/68/03/27/1017680327.db2.gz YPARQQQLFMDYFH-UHFFFAOYSA-N -1 0 320.309 -0.772 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@@H]2CCCO2)cnn1CC(=O)[O-] ZINC001600028852 1017680417 /nfs/dbraw/zinc/68/04/17/1017680417.db2.gz MWDHXBKALRIOEO-VIFPVBQESA-N -1 0 310.310 -0.490 20 0 DBADRM Cc1cc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cnn1 ZINC001600079874 1017681756 /nfs/dbraw/zinc/68/17/56/1017681756.db2.gz CASZYSIRMCDJGA-NWDGAFQWSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1cc(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)no1 ZINC001600077288 1017681805 /nfs/dbraw/zinc/68/18/05/1017681805.db2.gz KAXMOOKOKAJVIJ-UWVGGRQHSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600060975 1017681872 /nfs/dbraw/zinc/68/18/72/1017681872.db2.gz SGTUJKSRFBDAKU-RGOKHQFPSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001600066493 1017681917 /nfs/dbraw/zinc/68/19/17/1017681917.db2.gz JZQMHEFUZOOYFJ-NXEZZACHSA-N -1 0 321.333 -0.046 20 0 DBADRM Cc1cc(=O)c(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c[nH]1 ZINC001600065231 1017682150 /nfs/dbraw/zinc/68/21/50/1017682150.db2.gz DSLOWIJIEBSYKF-ZJUUUORDSA-N -1 0 319.317 -0.655 20 0 DBADRM Cc1cc(C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)cnn1 ZINC001600078308 1017682309 /nfs/dbraw/zinc/68/23/09/1017682309.db2.gz VVYPIQNWWWTETN-UHFFFAOYSA-N -1 0 316.321 -0.121 20 0 DBADRM Cc1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)on1 ZINC001600079811 1017682445 /nfs/dbraw/zinc/68/24/45/1017682445.db2.gz AFAOVCAUXHXHFD-ZJUUUORDSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1cc(=O)c(C(=O)NCCn2cc(C(=O)[O-])nn2)cn1C ZINC001600065791 1017682459 /nfs/dbraw/zinc/68/24/59/1017682459.db2.gz OMFGEFIPUDOEIR-UHFFFAOYSA-N -1 0 305.294 -0.587 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600060973 1017682483 /nfs/dbraw/zinc/68/24/83/1017682483.db2.gz SGTUJKSRFBDAKU-KYXWUPHJSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1cc(C(=O)NCC2(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cnn1 ZINC001600093155 1017683573 /nfs/dbraw/zinc/68/35/73/1017683573.db2.gz IROIDBIGFSPPNA-QWRGUYRKSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)ncn1 ZINC001600081518 1017683777 /nfs/dbraw/zinc/68/37/77/1017683777.db2.gz XESXPQWYBHERFD-GHMZBOCLSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])ncn1 ZINC001600085825 1017683919 /nfs/dbraw/zinc/68/39/19/1017683919.db2.gz YXMFPXUYASQLMN-VIFPVBQESA-N -1 0 313.335 -0.501 20 0 DBADRM Cc1cc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)c2c(=O)[nH]n(C)c2n1 ZINC001600081399 1017683963 /nfs/dbraw/zinc/68/39/63/1017683963.db2.gz HXLQPKDIQXFOPO-CQSZACIVSA-N -1 0 320.305 -0.356 20 0 DBADRM Cc1cc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)c(C)n1NC(N)=O ZINC001600081829 1017684297 /nfs/dbraw/zinc/68/42/97/1017684297.db2.gz YCUHAXZQLYYDRG-CYBMUJFWSA-N -1 0 310.310 -0.611 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](C)Nc2ccnc(C(=O)[O-])n2)ncn1 ZINC001600092774 1017684306 /nfs/dbraw/zinc/68/43/06/1017684306.db2.gz ZYBVGXHRVYUZFY-SECBINFHSA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(=O)N1CCNC(=O)C1 ZINC001600154573 1017685184 /nfs/dbraw/zinc/68/51/84/1017685184.db2.gz KSSOHWYPJDLPOF-UHFFFAOYSA-N -1 0 319.317 -0.101 20 0 DBADRM Cc1cc(C(=O)[O-])c(NC(=O)C(=O)NC2(C(N)=O)CC2)s1 ZINC001600102813 1017685271 /nfs/dbraw/zinc/68/52/71/1017685271.db2.gz HPNMLILFSJRITF-UHFFFAOYSA-N -1 0 311.319 -0.173 20 0 DBADRM Cc1cc([C@@H](NC(=O)Cn2nnc(N)n2)C(=O)[O-])ccc1F ZINC001600148999 1017685288 /nfs/dbraw/zinc/68/52/88/1017685288.db2.gz FSWFGANNXGKAJD-SNVBAGLBSA-N -1 0 308.273 -0.355 20 0 DBADRM Cc1cc(C(=O)[O-])nc(NCCNS(=O)(=O)N(C)C)n1 ZINC001600128791 1017685623 /nfs/dbraw/zinc/68/56/23/1017685623.db2.gz RLJVZFBCIBXWEP-UHFFFAOYSA-N -1 0 303.344 -0.709 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NC(C)(CO)CO ZINC001600119335 1017685879 /nfs/dbraw/zinc/68/58/79/1017685879.db2.gz MPIAWJSYSGFMJS-UHFFFAOYSA-N -1 0 310.306 -0.509 20 0 DBADRM Cc1cc(C(=O)O[C@H](C)C(=O)C(=O)[O-])ccc1S(N)(=O)=O ZINC001600134231 1017686041 /nfs/dbraw/zinc/68/60/41/1017686041.db2.gz GQQCDHWEZQMHDE-SSDOTTSWSA-N -1 0 315.303 -0.159 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)ncn1 ZINC001600097205 1017686130 /nfs/dbraw/zinc/68/61/30/1017686130.db2.gz YQCFEQFPXGUBET-DBIOUOCHSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1cc(C(=O)N[C@H](C)CNc2ccnc(C(=O)[O-])n2)cnn1 ZINC001600097467 1017686229 /nfs/dbraw/zinc/68/62/29/1017686229.db2.gz LVGHKDDKKBFTCO-SECBINFHSA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1cc(CC(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n(C)n1 ZINC001600186992 1017686977 /nfs/dbraw/zinc/68/69/77/1017686977.db2.gz DSOXHMCHNZPNGA-QWRGUYRKSA-N -1 0 308.338 -0.776 20 0 DBADRM Cc1cc(C)n(CC(=O)NCc2ocnc2C(=O)[O-])c(=O)n1 ZINC001600178974 1017687031 /nfs/dbraw/zinc/68/70/31/1017687031.db2.gz OYLYQVGYQRGNON-UHFFFAOYSA-N -1 0 306.278 -0.137 20 0 DBADRM Cc1cc(CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n[nH]1 ZINC001600187545 1017687287 /nfs/dbraw/zinc/68/72/87/1017687287.db2.gz NSXHLZVLMWKCTB-GHMZBOCLSA-N -1 0 320.349 -0.254 20 0 DBADRM Cc1cc(C)n(CC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c(=O)n1 ZINC001600178415 1017687637 /nfs/dbraw/zinc/68/76/37/1017687637.db2.gz UZQASIVHIOUEFS-MNOVXSKESA-N -1 0 309.322 -0.439 20 0 DBADRM Cc1cc(C)nc(N2CCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC001600182000 1017687752 /nfs/dbraw/zinc/68/77/52/1017687752.db2.gz UWYVKRCWLVIXKJ-LBPRGKRZSA-N -1 0 321.381 -0.195 20 0 DBADRM Cc1cc(CC(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])no1 ZINC001600187476 1017687855 /nfs/dbraw/zinc/68/78/55/1017687855.db2.gz JNSREXFLRUCBOU-SNVBAGLBSA-N -1 0 316.335 -0.374 20 0 DBADRM Cc1cc(CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001600187529 1017687977 /nfs/dbraw/zinc/68/79/77/1017687977.db2.gz MWMJNVXRDYWQHR-GHMZBOCLSA-N -1 0 306.322 -0.692 20 0 DBADRM Cc1cc(C)n2nc(C(=O)OCC(=O)NCCC(=O)[O-])nc2n1 ZINC001600180090 1017688023 /nfs/dbraw/zinc/68/80/23/1017688023.db2.gz UIEUQZKXCWNEEZ-UHFFFAOYSA-N -1 0 321.293 -0.511 20 0 DBADRM Cc1cc(CNCCNS(=O)(=O)N(C)C)oc1C(=O)[O-] ZINC001600206731 1017689137 /nfs/dbraw/zinc/68/91/37/1017689137.db2.gz VRAWUCIUYRHSOM-UHFFFAOYSA-N -1 0 305.356 -0.228 20 0 DBADRM Cc1cc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])no1 ZINC001600196017 1017689230 /nfs/dbraw/zinc/68/92/30/1017689230.db2.gz HQYFBCORBGCGJO-UWVGGRQHSA-N -1 0 308.294 -0.438 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)[nH]n1 ZINC001600197254 1017690320 /nfs/dbraw/zinc/69/03/20/1017690320.db2.gz BTWLHRZVHNVEIY-NSHDSACASA-N -1 0 324.337 -0.982 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)c(C(=O)[O-])[nH]1 ZINC001600243154 1017691288 /nfs/dbraw/zinc/69/12/88/1017691288.db2.gz FLUPHRHOLPATMW-ZETCQYMHSA-N -1 0 308.294 -0.706 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)nn1C ZINC001600244735 1017691370 /nfs/dbraw/zinc/69/13/70/1017691370.db2.gz GWNBGCQHAGGPJA-IUCAKERBSA-N -1 0 310.310 -0.632 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)CCOCCO)c(C(=O)[O-])[nH]1 ZINC001600242105 1017691476 /nfs/dbraw/zinc/69/14/76/1017691476.db2.gz XLLIMKKRERRHDM-UHFFFAOYSA-N -1 0 313.310 -0.573 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC(=O)N[C@@H](C)C2)c(C(=O)[O-])[nH]1 ZINC001600242086 1017691573 /nfs/dbraw/zinc/69/15/73/1017691573.db2.gz WJKAUDCPFYKMEH-ZETCQYMHSA-N -1 0 308.294 -0.693 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCn3ncnc3C2)c(C(=O)[O-])[nH]1 ZINC001600245857 1017691575 /nfs/dbraw/zinc/69/15/75/1017691575.db2.gz ZWBRRMUILRIKJU-UHFFFAOYSA-N -1 0 318.293 -0.406 20 0 DBADRM Cc1cc(N2CCn3ncnc3C2)n2nc(C(=O)[O-])nc2n1 ZINC001600243311 1017691671 /nfs/dbraw/zinc/69/16/71/1017691671.db2.gz LYCUGWPLYASUHC-UHFFFAOYSA-N -1 0 300.282 -0.257 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)ccc1C(=O)[O-] ZINC001600243226 1017691875 /nfs/dbraw/zinc/69/18/75/1017691875.db2.gz GKFZKMIWMHFXOC-LLVKDONJSA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)nn1C ZINC001600244734 1017692049 /nfs/dbraw/zinc/69/20/49/1017692049.db2.gz GWNBGCQHAGGPJA-BDAKNGLRSA-N -1 0 310.310 -0.632 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])n(C)n1 ZINC001600242838 1017692109 /nfs/dbraw/zinc/69/21/09/1017692109.db2.gz FDOVPFBQHAUVTR-WPRPVWTQSA-N -1 0 310.310 -0.896 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)c(=O)n(C)c1 ZINC001600246364 1017692351 /nfs/dbraw/zinc/69/23/51/1017692351.db2.gz OLFQEVLJUOBICI-UHFFFAOYSA-N -1 0 307.306 -0.244 20 0 DBADRM Cc1cccc(S(=O)(=O)NCCOCCO)c1C(=O)[O-] ZINC001600549882 1017702340 /nfs/dbraw/zinc/70/23/40/1017702340.db2.gz ZIYROBVKALPRPT-UHFFFAOYSA-N -1 0 303.336 -0.020 20 0 DBADRM Cc1cc(NC(=O)C2CN(S(C)(=O)=O)C2)c(C(=O)[O-])[nH]1 ZINC001600253584 1017693767 /nfs/dbraw/zinc/69/37/67/1017693767.db2.gz YZKDFYCGPOBRFQ-UHFFFAOYSA-N -1 0 301.324 -0.149 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001600284256 1017693832 /nfs/dbraw/zinc/69/38/32/1017693832.db2.gz AWJXUGBXUAOHPR-GHMZBOCLSA-N -1 0 310.306 -0.701 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1 ZINC001600286824 1017694221 /nfs/dbraw/zinc/69/42/21/1017694221.db2.gz WVXYJSZILRITPV-CYBMUJFWSA-N -1 0 320.305 -0.462 20 0 DBADRM Cc1cc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)ncc1C(=O)[O-] ZINC001600255668 1017694407 /nfs/dbraw/zinc/69/44/07/1017694407.db2.gz UEDAREQJMXDQGC-UHFFFAOYSA-N -1 0 320.261 -0.553 20 0 DBADRM Cc1cc(NC(=O)Cn2ncn3nccc3c2=O)c(C(=O)[O-])[nH]1 ZINC001600257984 1017694434 /nfs/dbraw/zinc/69/44/34/1017694434.db2.gz DGIALFZOAWSVKO-UHFFFAOYSA-N -1 0 316.277 -0.136 20 0 DBADRM Cc1cc(NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n2ncnc2n1 ZINC001600280923 1017694571 /nfs/dbraw/zinc/69/45/71/1017694571.db2.gz JMQVXASGKOAYRD-BDAKNGLRSA-N -1 0 304.310 -0.318 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001600302374 1017695593 /nfs/dbraw/zinc/69/55/93/1017695593.db2.gz PAMGKMGEIMYAPN-LJGSYFOKSA-N -1 0 302.308 -0.172 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)oc1C(=O)[O-] ZINC001600300301 1017696667 /nfs/dbraw/zinc/69/66/67/1017696667.db2.gz JILBBLPTMCVYOK-HTQZYQBOSA-N -1 0 305.308 -0.286 20 0 DBADRM Cc1ccc(C(=O)N(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])nn1 ZINC001600330384 1017697420 /nfs/dbraw/zinc/69/74/20/1017697420.db2.gz JXEXSVGYDSHTED-VHSXEESVSA-N -1 0 306.322 -0.306 20 0 DBADRM Cc1ccc(C(=O)NCCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001600340880 1017697633 /nfs/dbraw/zinc/69/76/33/1017697633.db2.gz YTJQIGIIFJCXME-UWVGGRQHSA-N -1 0 306.322 -0.258 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCc1nnn(C)n1 ZINC001600350615 1017697839 /nfs/dbraw/zinc/69/78/39/1017697839.db2.gz HYAJZBAYCIMQJQ-UHFFFAOYSA-N -1 0 318.293 -0.528 20 0 DBADRM Cc1ccc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001600340543 1017697877 /nfs/dbraw/zinc/69/78/77/1017697877.db2.gz IDMQPNZCKGBHBM-ZJUUUORDSA-N -1 0 306.322 -0.306 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)[C@H](C)c2nnnn2C)c1[O-] ZINC001498257294 1017697808 /nfs/dbraw/zinc/69/78/08/1017697808.db2.gz BXPNCAAYCYEZNP-VXNVDRBHSA-N -1 0 322.373 -0.241 20 0 DBADRM Cc1ccc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001600335850 1017698054 /nfs/dbraw/zinc/69/80/54/1017698054.db2.gz HQTDAGVKVLGZCL-NXEZZACHSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001600336371 1017698161 /nfs/dbraw/zinc/69/81/61/1017698161.db2.gz LMPSQYWRVMVFSI-UWVGGRQHSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)o1 ZINC001600415707 1017698366 /nfs/dbraw/zinc/69/83/66/1017698366.db2.gz JIECVNLPKNSQSP-KOLCDFICSA-N -1 0 310.306 -0.095 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1C[C@H](O)[C@@H](O)C1 ZINC001600350106 1017698377 /nfs/dbraw/zinc/69/83/77/1017698377.db2.gz KXZNZCXCMLWPPQ-QWRGUYRKSA-N -1 0 308.290 -0.804 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)OCC(=O)NCC(=O)[O-])s1 ZINC001600339210 1017698448 /nfs/dbraw/zinc/69/84/48/1017698448.db2.gz VRMUAYHZQQALHH-UHFFFAOYSA-N -1 0 314.319 -0.470 20 0 DBADRM Cc1ccc(C(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])nn1 ZINC001600342477 1017698526 /nfs/dbraw/zinc/69/85/26/1017698526.db2.gz UCZZQPOZIJESHV-UHFFFAOYSA-N -1 0 307.266 -0.170 20 0 DBADRM Cc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)nn1 ZINC001600477886 1017699584 /nfs/dbraw/zinc/69/95/84/1017699584.db2.gz DKFZEIAWUZTXOR-IUCAKERBSA-N -1 0 301.324 -0.352 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCNC(=O)CC2)c(C(=O)[O-])c1 ZINC001600440252 1017699772 /nfs/dbraw/zinc/69/97/72/1017699772.db2.gz QKWJEKNTFRDMQI-UHFFFAOYSA-N -1 0 319.317 -0.020 20 0 DBADRM Cc1ccc(NC(=O)NC[C@H](O)CC(=O)[O-])cc1-n1cnnn1 ZINC001600454344 1017699994 /nfs/dbraw/zinc/69/99/94/1017699994.db2.gz OZHKMNBJJHMXLC-SNVBAGLBSA-N -1 0 320.309 -0.072 20 0 DBADRM Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c(C(=O)[O-])c1 ZINC001600478487 1017700031 /nfs/dbraw/zinc/70/00/31/1017700031.db2.gz WSFNHWGDKIXZFB-UWVGGRQHSA-N -1 0 301.320 -0.581 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NCCC(=O)NCCC(=O)[O-])cn1 ZINC001600442679 1017700037 /nfs/dbraw/zinc/70/00/37/1017700037.db2.gz LVGMAOFKTMGPBA-UHFFFAOYSA-N -1 0 322.321 -0.574 20 0 DBADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001600484074 1017700396 /nfs/dbraw/zinc/70/03/96/1017700396.db2.gz NIJKKPJIBBVPIW-XCBNKYQSSA-N -1 0 316.335 -0.794 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CC(=O)N[C@@H](C)C2)cc1C(=O)[O-] ZINC001600438672 1017700529 /nfs/dbraw/zinc/70/05/29/1017700529.db2.gz KJGSTVYCBHYJNS-VIFPVBQESA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1ccn(CC(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001600595163 1017700759 /nfs/dbraw/zinc/70/07/59/1017700759.db2.gz HZQBLIXLHOTNHG-JGLYPNHGSA-N -1 0 320.349 -0.299 20 0 DBADRM Cc1cccnc1NC(=O)CN1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001600592960 1017701567 /nfs/dbraw/zinc/70/15/67/1017701567.db2.gz NJJAHKRAXCKLFV-SNVBAGLBSA-N -1 0 306.322 -0.444 20 0 DBADRM Cc1ccn(CC(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)c1 ZINC001600595198 1017701848 /nfs/dbraw/zinc/70/18/48/1017701848.db2.gz JTNGWGFBYPYWIP-AWEZNQCLSA-N -1 0 324.333 -0.075 20 0 DBADRM Cc1ccn(CC(=O)N(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001600595646 1017702264 /nfs/dbraw/zinc/70/22/64/1017702264.db2.gz LIHLYZLAFYLWLK-WDEREUQCSA-N -1 0 308.338 -0.513 20 0 DBADRM Cc1ccn(CC(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c(=O)c1 ZINC001600595137 1017702353 /nfs/dbraw/zinc/70/23/53/1017702353.db2.gz GSAAIZZJEJXRDH-LLVKDONJSA-N -1 0 304.306 -0.308 20 0 DBADRM Cc1ccnc(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600597809 1017702833 /nfs/dbraw/zinc/70/28/33/1017702833.db2.gz RZOOYBKRPYSBCT-QWRGUYRKSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001600595759 1017703240 /nfs/dbraw/zinc/70/32/40/1017703240.db2.gz NIWRFENNVZJMKT-UHFFFAOYSA-N -1 0 320.309 -0.195 20 0 DBADRM Cc1ccnn1CC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001600606005 1017703382 /nfs/dbraw/zinc/70/33/82/1017703382.db2.gz GUNMNUMHDCEDKX-UHFFFAOYSA-N -1 0 315.351 -0.660 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)NC[C@H](O)CC(=O)[O-])c2=O ZINC001600596520 1017703430 /nfs/dbraw/zinc/70/34/30/1017703430.db2.gz HRVJWKZQPKGASM-SECBINFHSA-N -1 0 305.290 -0.432 20 0 DBADRM Cc1cn(C(C)(C)C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])cn1 ZINC001600611502 1017703497 /nfs/dbraw/zinc/70/34/97/1017703497.db2.gz LHUFVWPRUDKAOL-JTQLQIEISA-N -1 0 306.326 -0.212 20 0 DBADRM Cc1ccncc1S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001600606582 1017703756 /nfs/dbraw/zinc/70/37/56/1017703756.db2.gz JNSXFTNCTUYSND-UWVGGRQHSA-N -1 0 300.336 -0.154 20 0 DBADRM Cc1ccncc1NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001600606598 1017704040 /nfs/dbraw/zinc/70/40/40/1017704040.db2.gz KHBXRKQJQFOGQD-NXEZZACHSA-N -1 0 307.306 -0.377 20 0 DBADRM Cc1ccncc1S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001600606581 1017704110 /nfs/dbraw/zinc/70/41/10/1017704110.db2.gz JNSXFTNCTUYSND-NXEZZACHSA-N -1 0 300.336 -0.154 20 0 DBADRM Cc1cnc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cn1 ZINC001600617202 1017704504 /nfs/dbraw/zinc/70/45/04/1017704504.db2.gz XOUVALJDEDSQRR-UZAOFVRNSA-N -1 0 318.333 -0.092 20 0 DBADRM Cc1cnc2c(cnn2CC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC001600624999 1017704640 /nfs/dbraw/zinc/70/46/40/1017704640.db2.gz ZAXIAFAVFAOLNJ-MNOVXSKESA-N -1 0 304.306 -0.214 20 0 DBADRM Cc1cnc(COCC(=O)O[C@@H](C)C(=O)NCC(=O)[O-])o1 ZINC001600622046 1017704916 /nfs/dbraw/zinc/70/49/16/1017704916.db2.gz ZSZLPRLPHBJJPS-QMMMGPOBSA-N -1 0 300.267 -0.368 20 0 DBADRM Cc1cnc2nc(C(=O)N3C[C@H](C)O[C@H](C(=O)[O-])C3)nn2c1 ZINC001600626720 1017705094 /nfs/dbraw/zinc/70/50/94/1017705094.db2.gz CAMUUJKEXUQDDB-IUCAKERBSA-N -1 0 305.294 -0.253 20 0 DBADRM Cc1cnc(C(=O)N[C@H](C)CNc2ccnc(C(=O)[O-])n2)cn1 ZINC001600616553 1017705353 /nfs/dbraw/zinc/70/53/53/1017705353.db2.gz CWRLULAOTWOZTK-SECBINFHSA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c1 ZINC001600624407 1017705388 /nfs/dbraw/zinc/70/53/88/1017705388.db2.gz YQFLEFFAHUTXAO-SCZZXKLOSA-N -1 0 315.351 -0.429 20 0 DBADRM Cc1c[nH]cc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)c1=O ZINC001600626201 1017705732 /nfs/dbraw/zinc/70/57/32/1017705732.db2.gz ZAPXRPIFUSHAEG-SNVBAGLBSA-N -1 0 308.290 -0.084 20 0 DBADRM Cc1cnc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001600620790 1017705763 /nfs/dbraw/zinc/70/57/63/1017705763.db2.gz RLHHICCICYCTQM-NXEZZACHSA-N -1 0 309.322 -0.633 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c1 ZINC001600624409 1017706103 /nfs/dbraw/zinc/70/61/03/1017706103.db2.gz YQFLEFFAHUTXAO-WPRPVWTQSA-N -1 0 315.351 -0.429 20 0 DBADRM Cc1cnccc1CC(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600630175 1017706409 /nfs/dbraw/zinc/70/64/09/1017706409.db2.gz PMPVRWCXNWQPNB-QWHCGFSZSA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600635095 1017706505 /nfs/dbraw/zinc/70/65/05/1017706505.db2.gz DRXQOLSHFNBINI-QWRGUYRKSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1cnccc1CC(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600630176 1017706877 /nfs/dbraw/zinc/70/68/77/1017706877.db2.gz PMPVRWCXNWQPNB-STQMWFEESA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1cncn1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600631560 1017707102 /nfs/dbraw/zinc/70/71/02/1017707102.db2.gz CXUUTWRKNUKCTR-BJDJZHNGSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1cnn(C)c1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600635024 1017707154 /nfs/dbraw/zinc/70/71/54/1017707154.db2.gz AWHBWEGAOQNALD-WDEREUQCSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cncn1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600631562 1017707191 /nfs/dbraw/zinc/70/71/91/1017707191.db2.gz CXUUTWRKNUKCTR-DDHJBXDOSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1cnn(C)c1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001600635424 1017707254 /nfs/dbraw/zinc/70/72/54/1017707254.db2.gz HTHSCBIWXWWKKH-BDAKNGLRSA-N -1 0 310.310 -0.632 20 0 DBADRM Cc1cnccc1CC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600630173 1017707272 /nfs/dbraw/zinc/70/72/72/1017707272.db2.gz PMPVRWCXNWQPNB-CHWSQXEVSA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001600635408 1017707444 /nfs/dbraw/zinc/70/74/44/1017707444.db2.gz HAEDCKJVJHAEEH-UHFFFAOYSA-N -1 0 303.340 -0.671 20 0 DBADRM Cc1cncc(CCNC(=O)NCCC(=O)NCCC(=O)[O-])n1 ZINC001600628861 1017707654 /nfs/dbraw/zinc/70/76/54/1017707654.db2.gz WNFDSJCHMNDMBN-UHFFFAOYSA-N -1 0 323.353 -0.392 20 0 DBADRM Cc1cncc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001600627910 1017707774 /nfs/dbraw/zinc/70/77/74/1017707774.db2.gz UBMPNSGNFKQUGG-CHWSQXEVSA-N -1 0 319.361 -0.226 20 0 DBADRM Cc1cncn1CC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600631884 1017707944 /nfs/dbraw/zinc/70/79/44/1017707944.db2.gz GBRXENDOUWPRHK-NEPJUHHUSA-N -1 0 320.349 -0.419 20 0 DBADRM Cc1cncc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)c1 ZINC001600627325 1017708081 /nfs/dbraw/zinc/70/80/81/1017708081.db2.gz KJGYSHOPWWQDTA-UHFFFAOYSA-N -1 0 307.306 -0.233 20 0 DBADRM Cc1conc1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600644536 1017708506 /nfs/dbraw/zinc/70/85/06/1017708506.db2.gz ZMWGJFBCUJZLLC-UWVGGRQHSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001600643731 1017708586 /nfs/dbraw/zinc/70/85/86/1017708586.db2.gz RDEIWRIRAHUZNK-BDAKNGLRSA-N -1 0 310.306 -0.022 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)N(C)CCNS(C)(=O)=O ZINC001600639107 1017708906 /nfs/dbraw/zinc/70/89/06/1017708906.db2.gz VEXKFCCVUSOKKS-UHFFFAOYSA-N -1 0 318.351 -0.164 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCOC[C@@H]1CC(N)=O ZINC001600640935 1017709668 /nfs/dbraw/zinc/70/96/68/1017709668.db2.gz DVEZANGYWWUVLM-VIFPVBQESA-N -1 0 310.306 -0.068 20 0 DBADRM Cc1csc(C(=O)[O-])c1S(=O)(=O)N1C[C@H](O)C[C@H](O)C1 ZINC001600653158 1017709946 /nfs/dbraw/zinc/70/99/46/1017709946.db2.gz NFCCBWCXBRZXLZ-OCAPTIKFSA-N -1 0 321.376 -0.129 20 0 DBADRM Cc1cnn([C@@H]2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)C2)c1 ZINC001600636533 1017710090 /nfs/dbraw/zinc/71/00/90/1017710090.db2.gz GFJIYGRLWRJZOX-SNVBAGLBSA-N -1 0 304.310 -0.045 20 0 DBADRM Cc1nnc(CC(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)[nH]1 ZINC001600670905 1017710591 /nfs/dbraw/zinc/71/05/91/1017710591.db2.gz BZLKVXQJUQBCEV-BDAKNGLRSA-N -1 0 321.337 -0.859 20 0 DBADRM Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001600667448 1017711019 /nfs/dbraw/zinc/71/10/19/1017711019.db2.gz TZPULVIMNIXHIK-GMSGAONNSA-N -1 0 308.338 -0.068 20 0 DBADRM Cc1n[nH]c(C(=O)NCC(=O)NCC(=O)[O-])c1Br ZINC001600665580 1017711197 /nfs/dbraw/zinc/71/11/97/1017711197.db2.gz ISOXPRWGTXGJER-UHFFFAOYSA-N -1 0 319.115 -0.589 20 0 DBADRM Cc1nnc(CC(=O)N(C)C2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]1 ZINC001600671331 1017711630 /nfs/dbraw/zinc/71/16/30/1017711630.db2.gz JAWJTEVNMNIAON-VHSXEESVSA-N -1 0 321.337 -0.954 20 0 DBADRM Cc1nnc(CC(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]1 ZINC001600670874 1017711764 /nfs/dbraw/zinc/71/17/64/1017711764.db2.gz AQYKANNDJGMBIU-NXEZZACHSA-N -1 0 321.337 -0.954 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC(=O)N(C)[C@@H](C)C2)c1C(=O)[O-] ZINC001600670637 1017712124 /nfs/dbraw/zinc/71/21/24/1017712124.db2.gz YRGKOEOAUPKRCE-LURJTMIESA-N -1 0 316.339 -0.732 20 0 DBADRM Cc1n[nH]c(=O)c(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1C ZINC001600668185 1017712278 /nfs/dbraw/zinc/71/22/78/1017712278.db2.gz KCTWGEXAIQOAKF-YUMQZZPRSA-N -1 0 310.310 -0.493 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001600670938 1017712289 /nfs/dbraw/zinc/71/22/89/1017712289.db2.gz CQBYMGHCMDPGFB-UHFFFAOYSA-N -1 0 303.340 -0.469 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCO[C@@H]2CCOC2)c1C(=O)[O-] ZINC001600673567 1017713029 /nfs/dbraw/zinc/71/30/29/1017713029.db2.gz KCPZHBFKIUCGMA-MRVPVSSYSA-N -1 0 319.339 -0.500 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCOCC(F)F)c1C(=O)[O-] ZINC001600674763 1017713576 /nfs/dbraw/zinc/71/35/76/1017713576.db2.gz WBFYEFNMVVSJOQ-UHFFFAOYSA-N -1 0 313.282 -0.024 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC2COC(C)(C)OC2)c1C(=O)[O-] ZINC001600672252 1017714361 /nfs/dbraw/zinc/71/43/61/1017714361.db2.gz BCGSLFHKQZVKGE-UHFFFAOYSA-N -1 0 319.339 -0.154 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H]2C[C@H](O)C23CCC3)c1C(=O)[O-] ZINC001600673825 1017714465 /nfs/dbraw/zinc/71/44/65/1017714465.db2.gz VQVXWCVJBKFBHA-YUMQZZPRSA-N -1 0 315.351 -0.002 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCC[S@](C)=O)c1C(=O)[O-] ZINC001600673615 1017714601 /nfs/dbraw/zinc/71/46/01/1017714601.db2.gz KMGGBVWSHQKFNZ-SFHVURJKSA-N -1 0 309.369 -0.537 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCO[C@H]2CCOC2)c1C(=O)[O-] ZINC001600673568 1017715311 /nfs/dbraw/zinc/71/53/11/1017715311.db2.gz KCPZHBFKIUCGMA-QMMMGPOBSA-N -1 0 319.339 -0.500 20 0 DBADRM Cc1n[nH]nc1C(=O)N(C)CCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600675995 1017716158 /nfs/dbraw/zinc/71/61/58/1017716158.db2.gz ZURQRLITMCEDPR-VHSXEESVSA-N -1 0 323.353 -0.246 20 0 DBADRM Cc1nn[nH]c1C(=O)NCC=CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600675829 1017716734 /nfs/dbraw/zinc/71/67/34/1017716734.db2.gz RVRMWOWRTXKVMJ-HVSMVGKISA-N -1 0 307.310 -0.764 20 0 DBADRM Cc1n[nH]nc1C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600675993 1017717177 /nfs/dbraw/zinc/71/71/77/1017717177.db2.gz ZURQRLITMCEDPR-NXEZZACHSA-N -1 0 323.353 -0.246 20 0 DBADRM Cc1nc(C)c(C(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nc1C ZINC001600690575 1017717199 /nfs/dbraw/zinc/71/71/99/1017717199.db2.gz MPFWPJVIJCRXHR-GHMZBOCLSA-N -1 0 320.349 -0.031 20 0 DBADRM Cc1nc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])nn1-c1nc[nH]n1 ZINC001600684122 1017717376 /nfs/dbraw/zinc/71/73/76/1017717376.db2.gz SOSUUHZLFGMDMF-SECBINFHSA-N -1 0 319.325 -0.075 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600675941 1017717488 /nfs/dbraw/zinc/71/74/88/1017717488.db2.gz XZLAKFWPIYKZOM-VHSXEESVSA-N -1 0 321.337 -0.445 20 0 DBADRM Cc1nc(N2C[C@@H](O)C[C@H](C(=O)[O-])C2)sc1S(N)(=O)=O ZINC001600709332 1017718419 /nfs/dbraw/zinc/71/84/19/1017718419.db2.gz ZZYXFSPEZFUXPL-BQBZGAKWSA-N -1 0 321.380 -0.629 20 0 DBADRM Cc1nc(C)c(CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c(=O)[nH]1 ZINC001600691603 1017718490 /nfs/dbraw/zinc/71/84/90/1017718490.db2.gz KYSXMYCJFQRQFT-BXKDBHETSA-N -1 0 309.322 -0.053 20 0 DBADRM Cc1nc(Cn2nnc(C(=O)NOCCCC(=O)[O-])c2C)no1 ZINC001600709747 1017718507 /nfs/dbraw/zinc/71/85/07/1017718507.db2.gz WBEWKQCTYILZEM-UHFFFAOYSA-N -1 0 324.297 -0.148 20 0 DBADRM Cc1nc(C)c(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])s1 ZINC001600692589 1017718628 /nfs/dbraw/zinc/71/86/28/1017718628.db2.gz LSBSEJBAHOKFNF-SSDOTTSWSA-N -1 0 301.324 -0.350 20 0 DBADRM Cc1nc(N(C)C)sc1C(=O)NCC(=O)NCC(=O)[O-] ZINC001600708284 1017718848 /nfs/dbraw/zinc/71/88/48/1017718848.db2.gz JBYRYFUFHVZCMK-UHFFFAOYSA-N -1 0 300.340 -0.552 20 0 DBADRM Cc1nc(Cn2nnnc2N2CCO[C@@H](C(=O)[O-])C2)cs1 ZINC001600708312 1017718914 /nfs/dbraw/zinc/71/89/14/1017718914.db2.gz AXKPDWWAHMHGGT-SECBINFHSA-N -1 0 310.339 -0.224 20 0 DBADRM Cc1nc(N(C)C)nc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])n1 ZINC001600709159 1017719160 /nfs/dbraw/zinc/71/91/60/1017719160.db2.gz YJFGGCPGDNBWDR-SECBINFHSA-N -1 0 308.342 -0.584 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N3CC[C@@](F)(C(=O)[O-])C3)nn2)no1 ZINC001600706858 1017719517 /nfs/dbraw/zinc/71/95/17/1017719517.db2.gz RJHKHGOKJJWPIL-LBPRGKRZSA-N -1 0 324.272 -0.343 20 0 DBADRM Cc1nc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])sc1C ZINC001600710781 1017719553 /nfs/dbraw/zinc/71/95/53/1017719553.db2.gz QLHGRNRLQSVUMC-SSDOTTSWSA-N -1 0 301.324 -0.350 20 0 DBADRM Cc1nc(CN2CC(O)(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)oc1C ZINC001600700010 1017719623 /nfs/dbraw/zinc/71/96/23/1017719623.db2.gz BKKPTXKAZVHUGQ-WDEREUQCSA-N -1 0 323.349 -0.325 20 0 DBADRM Cc1ncc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1C ZINC001600733589 1017720014 /nfs/dbraw/zinc/72/00/14/1017720014.db2.gz HHBGSBVVTNSDJH-VHSXEESVSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1C ZINC001600733583 1017720043 /nfs/dbraw/zinc/72/00/43/1017720043.db2.gz HHBGSBVVTNSDJH-NXEZZACHSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1nc2ccc(NC(=O)C(=O)NC(C)(C)C(=O)[O-])cn2n1 ZINC001600728222 1017720244 /nfs/dbraw/zinc/72/02/44/1017720244.db2.gz JCHRSSFNTXCJQY-UHFFFAOYSA-N -1 0 305.294 -0.044 20 0 DBADRM Cc1ncc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])c(N)n1 ZINC001600733366 1017720310 /nfs/dbraw/zinc/72/03/10/1017720310.db2.gz GMSFOKCSBWLBSE-VIFPVBQESA-N -1 0 310.310 -0.297 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)Cn1cccc(C(=O)[O-])c1=O)C2 ZINC001600731767 1017720584 /nfs/dbraw/zinc/72/05/84/1017720584.db2.gz IEOMZIROPFYBNZ-UHFFFAOYSA-N -1 0 317.305 -0.511 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)N1C[C@H]3[C@H](C(=O)[O-])[C@H]3C1)CC2 ZINC001600731344 1017720652 /nfs/dbraw/zinc/72/06/52/1017720652.db2.gz KRIPGDFQIYQTSO-UXCLJVHYSA-N -1 0 305.338 -0.127 20 0 DBADRM Cc1ncc(C(=O)NCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])n1C ZINC001600734018 1017720764 /nfs/dbraw/zinc/72/07/64/1017720764.db2.gz PFAGZUUPDJDSDB-VHSXEESVSA-N -1 0 308.338 -0.363 20 0 DBADRM Cc1nc2ncnn2c(C)c1CCC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600731212 1017720859 /nfs/dbraw/zinc/72/08/59/1017720859.db2.gz KEYGPGVLGDNZMU-UHFFFAOYSA-N -1 0 319.321 -0.668 20 0 DBADRM Cc1ncc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1C ZINC001600733623 1017721627 /nfs/dbraw/zinc/72/16/27/1017721627.db2.gz SPVZBKKINKFTOW-UWVGGRQHSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1ncc(S(=O)(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)n1C ZINC001600747735 1017722217 /nfs/dbraw/zinc/72/22/17/1017722217.db2.gz OCUKQSZKMJLAIX-XPUUQOCRSA-N -1 0 309.294 -0.027 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H]2CCN(C)C2=O)cc1C(=O)[O-] ZINC001600745923 1017722275 /nfs/dbraw/zinc/72/22/75/1017722275.db2.gz NBMOEQGBHRIXEM-JTQLQIEISA-N -1 0 313.335 -0.403 20 0 DBADRM Cc1ncc(S(=O)(=O)NCc2nnn(C)n2)cc1C(=O)[O-] ZINC001600747375 1017722360 /nfs/dbraw/zinc/72/23/60/1017722360.db2.gz FRWXHHPJGFCDGM-UHFFFAOYSA-N -1 0 312.311 -0.910 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H]2CCN(C)C2=O)cc1C(=O)[O-] ZINC001600745925 1017722964 /nfs/dbraw/zinc/72/29/64/1017722964.db2.gz NBMOEQGBHRIXEM-SNVBAGLBSA-N -1 0 313.335 -0.403 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)NC(C)(C)C(=O)[O-] ZINC001600747048 1017723078 /nfs/dbraw/zinc/72/30/78/1017723078.db2.gz GNXKWMRWUHNHPO-UHFFFAOYSA-N -1 0 301.324 -0.370 20 0 DBADRM Cc1ncn(C)c1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600758576 1017724799 /nfs/dbraw/zinc/72/47/99/1017724799.db2.gz PUZAQHZEYMNVEU-UWVGGRQHSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1nccn1CCCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001600755341 1017725268 /nfs/dbraw/zinc/72/52/68/1017725268.db2.gz OGMXHSOWPGOKGR-UHFFFAOYSA-N -1 0 313.339 -0.019 20 0 DBADRM Cc1ncccc1CN1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600752973 1017725569 /nfs/dbraw/zinc/72/55/69/1017725569.db2.gz VHUYUYXMDPAXFB-OLZOCXBDSA-N -1 0 319.361 -0.226 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)CN1CCC(O)(C(=O)[O-])CC1 ZINC001600771394 1017726312 /nfs/dbraw/zinc/72/63/12/1017726312.db2.gz NKMHFBDCVPQGMZ-UHFFFAOYSA-N -1 0 310.354 -0.113 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001600768725 1017726351 /nfs/dbraw/zinc/72/63/51/1017726351.db2.gz SNZAYNHBTBMDHZ-VIFPVBQESA-N -1 0 315.351 -0.639 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001600769253 1017726525 /nfs/dbraw/zinc/72/65/25/1017726525.db2.gz RDNVMGQLQREJLQ-KCJUWKMLSA-N -1 0 322.365 -0.106 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001600771218 1017726920 /nfs/dbraw/zinc/72/69/20/1017726920.db2.gz XPADWQSPYTVUJU-GHMZBOCLSA-N -1 0 311.338 -0.290 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001600769036 1017727053 /nfs/dbraw/zinc/72/70/53/1017727053.db2.gz KIRLVTOPGGHKBG-KCJUWKMLSA-N -1 0 322.365 -0.058 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001600770947 1017727573 /nfs/dbraw/zinc/72/75/73/1017727573.db2.gz QUJWHIAVKBWMLA-ZWNOBZJWSA-N -1 0 310.354 -0.115 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001600768798 1017727659 /nfs/dbraw/zinc/72/76/59/1017727659.db2.gz ZKUHNGBLXYNFCM-BXKDBHETSA-N -1 0 309.322 -0.174 20 0 DBADRM Cc1nn(C)cc1C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600776881 1017728137 /nfs/dbraw/zinc/72/81/37/1017728137.db2.gz ZEGJVQQFFZMUPC-QWRGUYRKSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1nn(C)cc1C(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600776178 1017728428 /nfs/dbraw/zinc/72/84/28/1017728428.db2.gz LISZLRUNUAAXTO-WDEREUQCSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1nn(C)cc1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600776882 1017728540 /nfs/dbraw/zinc/72/85/40/1017728540.db2.gz ZEGJVQQFFZMUPC-WDEREUQCSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001600777573 1017728636 /nfs/dbraw/zinc/72/86/36/1017728636.db2.gz LLAPAVHQAGSOOP-PSASIEDQSA-N -1 0 303.340 -0.503 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001600777988 1017728699 /nfs/dbraw/zinc/72/86/99/1017728699.db2.gz UDZKEWWSRQJKBN-SCZZXKLOSA-N -1 0 303.340 -0.673 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001600777476 1017728932 /nfs/dbraw/zinc/72/89/32/1017728932.db2.gz HAQIKEWLRVUBTH-XPUUQOCRSA-N -1 0 309.294 -0.027 20 0 DBADRM Cc1nn(C)cc1CN1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600778206 1017728934 /nfs/dbraw/zinc/72/89/34/1017728934.db2.gz AGHJCLJJMITHAH-NWDGAFQWSA-N -1 0 322.365 -0.888 20 0 DBADRM Cc1nn(C)cc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001600775723 1017729032 /nfs/dbraw/zinc/72/90/32/1017729032.db2.gz AIKHQUBOFPHXDE-VIFPVBQESA-N -1 0 301.324 -0.948 20 0 DBADRM Cc1nn(C)c(F)c1C(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600772675 1017729188 /nfs/dbraw/zinc/72/91/88/1017729188.db2.gz NYMOQLZXPJRIFY-BDAKNGLRSA-N -1 0 324.312 -0.471 20 0 DBADRM Cc1nn(C)cc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600776466 1017729317 /nfs/dbraw/zinc/72/93/17/1017729317.db2.gz PXTMENSYZCHILH-GHMZBOCLSA-N -1 0 320.349 -0.266 20 0 DBADRM Cc1nn(CCS(=O)(=O)N[C@H](C)/C=C\C(=O)[O-])c(=O)o1 ZINC001600788240 1017730471 /nfs/dbraw/zinc/73/04/71/1017730471.db2.gz VCPDHSGEGOUTET-KFOINNEUSA-N -1 0 305.312 -0.907 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001600780152 1017730489 /nfs/dbraw/zinc/73/04/89/1017730489.db2.gz VKLJNLOWPQXYSV-UHFFFAOYSA-N -1 0 319.321 -0.058 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC001600779710 1017730639 /nfs/dbraw/zinc/73/06/39/1017730639.db2.gz LIPFDDDEKOUXPB-MNOVXSKESA-N -1 0 324.337 -0.766 20 0 DBADRM Cc1nn(CC(=O)Nc2ccc(OCC(=O)[O-])cc2)c(=O)n1C ZINC001600780391 1017730666 /nfs/dbraw/zinc/73/06/66/1017730666.db2.gz YOEPMGKEBJLTFX-UHFFFAOYSA-N -1 0 320.305 -0.008 20 0 DBADRM Cc1nn(CC(=O)NC2(CC(=O)[O-])CCOCC2)c(=O)n1C ZINC001600780700 1017730730 /nfs/dbraw/zinc/73/07/30/1017730730.db2.gz LSLZEOZCSLMURP-UHFFFAOYSA-N -1 0 312.326 -0.970 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001600779925 1017730852 /nfs/dbraw/zinc/73/08/52/1017730852.db2.gz SRCWEEKCDZHMRT-NSHDSACASA-N -1 0 323.353 -0.256 20 0 DBADRM Cc1nn(CCS(=O)(=O)N[C@@H](C)/C=C\C(=O)[O-])c(=O)o1 ZINC001600788238 1017730948 /nfs/dbraw/zinc/73/09/48/1017730948.db2.gz VCPDHSGEGOUTET-AVALRIAPSA-N -1 0 305.312 -0.907 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)C1=NN(C)C(=O)CC1 ZINC001600780844 1017731207 /nfs/dbraw/zinc/73/12/07/1017731207.db2.gz IKGLPDZQUKZQJR-UHFFFAOYSA-N -1 0 321.337 -0.191 20 0 DBADRM Cc1nn(CC(=O)OCC(=O)c2cc(C(=O)[O-])co2)c(=O)n1C ZINC001600782137 1017731229 /nfs/dbraw/zinc/73/12/29/1017731229.db2.gz MIETYRAWTTUKJD-UHFFFAOYSA-N -1 0 323.261 -0.392 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)C1(O)CCOCC1 ZINC001600780005 1017731403 /nfs/dbraw/zinc/73/14/03/1017731403.db2.gz SHZVBFVGMHJDEC-UHFFFAOYSA-N -1 0 311.338 -0.258 20 0 DBADRM Cc1nnc(CCN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)o1 ZINC001600794956 1017731896 /nfs/dbraw/zinc/73/18/96/1017731896.db2.gz BZJNEVMVUBDAQY-AWEZNQCLSA-N -1 0 310.354 -0.218 20 0 DBADRM Cc1nnccc1C(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600799593 1017731957 /nfs/dbraw/zinc/73/19/57/1017731957.db2.gz ALQDZFIHAJORKH-WDEREUQCSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1nnc(SCCn2cc(C(=O)[O-])nn2)n1CC(N)=O ZINC001600799458 1017732152 /nfs/dbraw/zinc/73/21/52/1017732152.db2.gz RBRPHWMKKHECEJ-UHFFFAOYSA-N -1 0 311.327 -0.846 20 0 DBADRM Cc1nnc(CC(=O)NCCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])o1 ZINC001600794491 1017732234 /nfs/dbraw/zinc/73/22/34/1017732234.db2.gz OZJHFWMVXJLPAJ-ZJUUUORDSA-N -1 0 324.337 -0.394 20 0 DBADRM Cc1nnc(CC(=O)NCCCNc2ccnc(C(=O)[O-])n2)o1 ZINC001600794154 1017732491 /nfs/dbraw/zinc/73/24/91/1017732491.db2.gz HBNZYEZUVQLBBS-UHFFFAOYSA-N -1 0 320.309 -0.551 20 0 DBADRM Cc1nnc(N2CCN(c3ccc(C(=O)[O-])nn3)CC2)n1C ZINC001600798031 1017732585 /nfs/dbraw/zinc/73/25/85/1017732585.db2.gz RSMIXYAURHAUDH-UHFFFAOYSA-N -1 0 303.326 -0.062 20 0 DBADRM Cc1nnc(CNCCN(CCO)C(=O)[C@H]2C[C@@H]2C(=O)[O-])o1 ZINC001600795396 1017732994 /nfs/dbraw/zinc/73/29/94/1017732994.db2.gz UCJQLECTZDYOIM-UWVGGRQHSA-N -1 0 312.326 -0.991 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1 ZINC001600800450 1017733644 /nfs/dbraw/zinc/73/36/44/1017733644.db2.gz IXGJGKNYYKMNLZ-AWEZNQCLSA-N -1 0 317.305 -0.368 20 0 DBADRM Cc1noc(CCNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1 ZINC001600813189 1017733961 /nfs/dbraw/zinc/73/39/61/1017733961.db2.gz QBSLPDMSGATKJR-VIFPVBQESA-N -1 0 310.310 -0.640 20 0 DBADRM Cc1noc(CN(C)S(=O)(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001600812576 1017733996 /nfs/dbraw/zinc/73/39/96/1017733996.db2.gz LGSYNBBQPHEWKY-UHFFFAOYSA-N -1 0 318.355 -0.149 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])CC2 ZINC001600800059 1017734177 /nfs/dbraw/zinc/73/41/77/1017734177.db2.gz LMGNPDMDGGOHTA-IONNQARKSA-N -1 0 310.310 -0.719 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001600812943 1017734399 /nfs/dbraw/zinc/73/43/99/1017734399.db2.gz RMAVMICPQYOUDL-DTORHVGOSA-N -1 0 310.310 -0.342 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)NCCOCC(=O)[O-])c(F)c1 ZINC001600801165 1017734652 /nfs/dbraw/zinc/73/46/52/1017734652.db2.gz ZNBXAAXMGDAFNW-UHFFFAOYSA-N -1 0 323.284 -0.059 20 0 DBADRM Cc1nnsc1C(=O)N(C)CCNc1ccnc(C(=O)[O-])n1 ZINC001600802308 1017734692 /nfs/dbraw/zinc/73/46/92/1017734692.db2.gz APENCXDFGNQOIA-UHFFFAOYSA-N -1 0 322.350 -0.059 20 0 DBADRM Cc1noc(CN(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])n1 ZINC001600813327 1017734975 /nfs/dbraw/zinc/73/49/75/1017734975.db2.gz XPZWDJCFCQVFIY-BQBZGAKWSA-N -1 0 313.314 -0.503 20 0 DBADRM Cc1nonc1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600818148 1017735109 /nfs/dbraw/zinc/73/51/09/1017735109.db2.gz XWCHBNUOJRLGML-IUCAKERBSA-N -1 0 308.294 -0.618 20 0 DBADRM Cc1noc([C@@H]2OCC[C@@H]2NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)n1 ZINC001600815597 1017735239 /nfs/dbraw/zinc/73/52/39/1017735239.db2.gz VAQZSMOYKMXICP-QCLAVDOMSA-N -1 0 311.294 -0.044 20 0 DBADRM Cc1noc(CCCNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n1 ZINC001600813574 1017735531 /nfs/dbraw/zinc/73/55/31/1017735531.db2.gz WSDVRRBUINNCFO-NXEZZACHSA-N -1 0 312.326 -0.212 20 0 DBADRM Cc1nonc1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600817598 1017736120 /nfs/dbraw/zinc/73/61/20/1017736120.db2.gz JALAINBTIZWJJX-JXUBOQSCSA-N -1 0 322.321 -0.277 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N2CN(C)C(=O)[C@H]2C)cc1C(=O)[O-] ZINC001600845602 1017737159 /nfs/dbraw/zinc/73/71/59/1017737159.db2.gz IURRXSOFDCILIG-SSDOTTSWSA-N -1 0 323.305 -0.451 20 0 DBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001600857140 1017737376 /nfs/dbraw/zinc/73/73/76/1017737376.db2.gz VPOVVBHBLKCMPK-WCBMZHEXSA-N -1 0 317.319 -0.037 20 0 DBADRM Cc1oc(C(=O)[O-])cc1CNC1CN(S(=O)(=O)N(C)C)C1 ZINC001600831965 1017737502 /nfs/dbraw/zinc/73/75/02/1017737502.db2.gz NLKRNZQXJXFRHW-UHFFFAOYSA-N -1 0 317.367 -0.134 20 0 DBADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CC[C@@H]1C(=O)[O-] ZINC001600838439 1017737896 /nfs/dbraw/zinc/73/78/96/1017737896.db2.gz LCOSSANHDGVSHS-SSDOTTSWSA-N -1 0 302.308 -0.157 20 0 DBADRM Cn1c(=O)[nH]c2cc(C(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])ccc21 ZINC001600893205 1017738590 /nfs/dbraw/zinc/73/85/90/1017738590.db2.gz BHCKHXBHHZZUKA-LDYMZIIASA-N -1 0 305.290 -0.061 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)CCC(F)F)C1 ZINC001498328794 1017738566 /nfs/dbraw/zinc/73/85/66/1017738566.db2.gz JDNCNLJAWKWHFH-UHFFFAOYSA-N -1 0 319.268 -0.938 20 0 DBADRM Cc1ocnc1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001600861467 1017739034 /nfs/dbraw/zinc/73/90/34/1017739034.db2.gz JRYVFKZDROLMOM-WRWORJQWSA-N -1 0 302.308 -0.399 20 0 DBADRM Cc1occc1CNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001600861062 1017739111 /nfs/dbraw/zinc/73/91/11/1017739111.db2.gz BCRBMNRIIPCTBX-NSHDSACASA-N -1 0 310.306 -0.094 20 0 DBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC[C@H](O)C(=O)[O-] ZINC001600859412 1017739340 /nfs/dbraw/zinc/73/93/40/1017739340.db2.gz QHPZRYYVJMOSAX-ZETCQYMHSA-N -1 0 309.278 -0.600 20 0 DBADRM Cc1sc(=O)n(CC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1C ZINC001600866671 1017739434 /nfs/dbraw/zinc/73/94/34/1017739434.db2.gz RDNRVIVFAYXXKL-ZJUUUORDSA-N -1 0 314.363 -0.179 20 0 DBADRM Cc1ocnc1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600861913 1017739540 /nfs/dbraw/zinc/73/95/40/1017739540.db2.gz SQAUBEPYIVSNIT-VHSXEESVSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1sc(=O)n(CC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1C ZINC001600866668 1017739600 /nfs/dbraw/zinc/73/96/00/1017739600.db2.gz RDNRVIVFAYXXKL-NXEZZACHSA-N -1 0 314.363 -0.179 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)/C=C/C(=O)[O-] ZINC001600857866 1017739775 /nfs/dbraw/zinc/73/97/75/1017739775.db2.gz MAEOMQAGHZYJQY-YUDCMIJISA-N -1 0 302.308 -0.005 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N[C@H](CO)CN1CCOCC1 ZINC001600903622 1017740682 /nfs/dbraw/zinc/74/06/82/1017740682.db2.gz HUXXSQXSPOTLSE-JTQLQIEISA-N -1 0 311.338 -0.854 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NCC1(S(N)(=O)=O)CC1 ZINC001600903577 1017740865 /nfs/dbraw/zinc/74/08/65/1017740865.db2.gz LDMKONJROZJIFW-UHFFFAOYSA-N -1 0 301.324 -0.726 20 0 DBADRM Cn1c(=O)cc(N2CC[C@H](NC(=O)C3(C(=O)[O-])CC3)C2)[nH]c1=O ZINC001600895971 1017740898 /nfs/dbraw/zinc/74/08/98/1017740898.db2.gz HMHWHYJFRQRGGT-QMMMGPOBSA-N -1 0 322.321 -0.954 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NCC2(C(=O)[O-])CCOCC2)c1=O ZINC001600895760 1017741003 /nfs/dbraw/zinc/74/10/03/1017741003.db2.gz IRTRUJIUXRMHBZ-UHFFFAOYSA-N -1 0 311.294 -0.903 20 0 DBADRM Cn1c(=O)[nH]c2ccc(C(=O)N[C@@]3(C(=O)[O-])C[C@@H](O)C3)cc21 ZINC001600896194 1017741278 /nfs/dbraw/zinc/74/12/78/1017741278.db2.gz RKGFLJQURYUSRW-XZWHAEGMSA-N -1 0 305.290 -0.013 20 0 DBADRM Cn1c(=O)ccn(CC(=O)O[C@@H]2CCC[C@H](C(=O)[O-])C2)c1=O ZINC001600896887 1017741734 /nfs/dbraw/zinc/74/17/34/1017741734.db2.gz VJVQHYRWDOSGLB-VHSXEESVSA-N -1 0 310.306 -0.266 20 0 DBADRM Cn1c(CN2CCC[C@H](O)C2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001600915268 1017742514 /nfs/dbraw/zinc/74/25/14/1017742514.db2.gz XONGGEUSNOEKAU-MNOVXSKESA-N -1 0 309.370 -0.317 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)OCCn1cc(C(N)=O)nn1 ZINC001600907416 1017743681 /nfs/dbraw/zinc/74/36/81/1017743681.db2.gz RBUQXVGFBZJHKT-UHFFFAOYSA-N -1 0 307.266 -0.729 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001600915138 1017743737 /nfs/dbraw/zinc/74/37/37/1017743737.db2.gz ZVQWKKNZPUYRRQ-XAVMHZPKSA-N -1 0 309.326 -0.181 20 0 DBADRM Cn1c([C@H]2CCNC(=O)C2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001600912109 1017744033 /nfs/dbraw/zinc/74/40/33/1017744033.db2.gz VXDAVQFDVFUDRN-ISVAXAHUSA-N -1 0 311.317 -0.188 20 0 DBADRM Cn1cc(-c2ccc(NC(=O)NC[C@@H](O)CC(=O)[O-])nn2)cn1 ZINC001600922810 1017744776 /nfs/dbraw/zinc/74/47/76/1017744776.db2.gz MSIKFNFRNQJESW-VIFPVBQESA-N -1 0 320.309 -0.166 20 0 DBADRM Cn1cc(-c2nnc(N3CCO[C@H](CC(=O)[O-])C3)n2C)cn1 ZINC001600924856 1017744825 /nfs/dbraw/zinc/74/48/25/1017744825.db2.gz OMCNOWAUZUTSRB-SNVBAGLBSA-N -1 0 306.326 -0.105 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001600919601 1017745032 /nfs/dbraw/zinc/74/50/32/1017745032.db2.gz ASGADLMPVIDESD-CAHLUQPWSA-N -1 0 309.731 -0.406 20 0 DBADRM Cn1c(N2CC[C@](F)(C(=O)[O-])C2)nnc1[C@]1(O)CCOC1 ZINC001600919786 1017745109 /nfs/dbraw/zinc/74/51/09/1017745109.db2.gz GOKWAYWVWCPIRQ-NEPJUHHUSA-N -1 0 300.290 -0.574 20 0 DBADRM Cn1c(CO)nc2cc(C(=O)NC[C@](C)(O)C(=O)[O-])ccc21 ZINC001600919352 1017745174 /nfs/dbraw/zinc/74/51/74/1017745174.db2.gz SZHYGKMINQTVHO-AWEZNQCLSA-N -1 0 307.306 -0.369 20 0 DBADRM CN1C(=S)N=NC1C1CCN(C(=O)COCC(=O)[O-])CC1 ZINC001600919963 1017745372 /nfs/dbraw/zinc/74/53/72/1017745372.db2.gz KZRBHSYSENMCJJ-UHFFFAOYSA-N -1 0 314.367 -0.089 20 0 DBADRM Cn1c(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)nnc1C1CC1 ZINC001600922020 1017745664 /nfs/dbraw/zinc/74/56/64/1017745664.db2.gz ROTDZAWIPKPDDC-SECBINFHSA-N -1 0 321.337 -0.046 20 0 DBADRM Cn1c(=O)cc(COC(=O)C23CC(C(=O)[O-])(C2)C3)n(C)c1=O ZINC001600919340 1017745679 /nfs/dbraw/zinc/74/56/79/1017745679.db2.gz SATQZNAPLMDALH-UHFFFAOYSA-N -1 0 308.290 -0.618 20 0 DBADRM Cn1cc(-n2cc(C(=O)N3CC[C@@H]3C(=O)[O-])ccc2=O)cn1 ZINC001600927140 1017745713 /nfs/dbraw/zinc/74/57/13/1017745713.db2.gz ZHEBGMSVCRJEGH-LLVKDONJSA-N -1 0 302.290 -0.130 20 0 DBADRM Cn1c(=O)cc(N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)n(C)c1=O ZINC001600921431 1017745726 /nfs/dbraw/zinc/74/57/26/1017745726.db2.gz AWTQITFHDBQASG-KGXJWFGYSA-N -1 0 323.349 -0.092 20 0 DBADRM Cn1cc(C(=O)CCC(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001600927916 1017745999 /nfs/dbraw/zinc/74/59/99/1017745999.db2.gz LBLGAVVCGVVCJZ-WCQYABFASA-N -1 0 309.322 -0.181 20 0 DBADRM Cn1c(=O)cc(NCCc2ncc(C(=O)[O-])s2)n(C)c1=O ZINC001600921944 1017746200 /nfs/dbraw/zinc/74/62/00/1017746200.db2.gz OLUQRXXWXBBROM-UHFFFAOYSA-N -1 0 310.335 -0.107 20 0 DBADRM Cn1cc(S(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-])nc1Cl ZINC001600968444 1017761204 /nfs/dbraw/zinc/76/12/04/1017761204.db2.gz WFRCLRTWHHZLEG-ZCFIWIBFSA-N -1 0 311.747 -0.424 20 0 DBADRM Cn1cc(C(=O)NC[C@@H](O)CNc2ncc(C(=O)[O-])cn2)cn1 ZINC001600930383 1017746657 /nfs/dbraw/zinc/74/66/57/1017746657.db2.gz VTSDGLNCSYFQRB-SNVBAGLBSA-N -1 0 320.309 -0.889 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC001600930070 1017746991 /nfs/dbraw/zinc/74/69/91/1017746991.db2.gz IYEFAFMBKBCVKR-KXEKKFMESA-N -1 0 307.306 -0.933 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CCN(c3ncc(C(=O)[O-])cn3)C2)nn1 ZINC001600930591 1017747098 /nfs/dbraw/zinc/74/70/98/1017747098.db2.gz XVPPIOUTUIBEKH-VIFPVBQESA-N -1 0 317.309 -0.688 20 0 DBADRM Cn1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC001600929636 1017747208 /nfs/dbraw/zinc/74/72/08/1017747208.db2.gz YZCMXRRFXNIBKF-XKSSXDPKSA-N -1 0 307.306 -0.189 20 0 DBADRM Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)ccc1=O ZINC001600931041 1017747349 /nfs/dbraw/zinc/74/73/49/1017747349.db2.gz FSPXYRKQIIKDOH-GHMZBOCLSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])c(=O)n(C)c1=O ZINC001600928874 1017747713 /nfs/dbraw/zinc/74/77/13/1017747713.db2.gz PSQKRJSFEOBHBU-CLAHSXSESA-N -1 0 307.306 -0.837 20 0 DBADRM Cn1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC001600929634 1017747793 /nfs/dbraw/zinc/74/77/93/1017747793.db2.gz YZCMXRRFXNIBKF-OYNCUSHFSA-N -1 0 307.306 -0.189 20 0 DBADRM Cn1cc(C(=O)N2CC[C@@H](Nc3ncc(C(=O)[O-])cn3)C2)nn1 ZINC001600928744 1017747972 /nfs/dbraw/zinc/74/79/72/1017747972.db2.gz OEQIKTJEDWLOQX-SECBINFHSA-N -1 0 317.309 -0.370 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)c(=O)n(C)c1=O ZINC001600930061 1017748143 /nfs/dbraw/zinc/74/81/43/1017748143.db2.gz ISBPZEKPEVXHKY-CDLYGTGVSA-N -1 0 321.333 -0.687 20 0 DBADRM Cn1cc(C(=O)N2C3CCC2(C(=O)[O-])CC3)c(=O)n(C)c1=O ZINC001600929370 1017748201 /nfs/dbraw/zinc/74/82/01/1017748201.db2.gz MLAGHULXGPCRGP-UHFFFAOYSA-N -1 0 307.306 -0.694 20 0 DBADRM Cn1cc(C(=O)NC2(C(=O)[O-])CCSCC2)c(=O)[nH]c1=O ZINC001600930760 1017748250 /nfs/dbraw/zinc/74/82/50/1017748250.db2.gz ASWPDOPAVKEPJJ-UHFFFAOYSA-N -1 0 313.335 -0.434 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2CC[C@H](S(C)(=O)=O)C2)n1 ZINC001600933102 1017748850 /nfs/dbraw/zinc/74/88/50/1017748850.db2.gz PPVUGARCXHCFTI-ZETCQYMHSA-N -1 0 316.339 -0.231 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)NC[C@H]2CCS(=O)(=O)C2)n1 ZINC001600934400 1017748774 /nfs/dbraw/zinc/74/87/74/1017748774.db2.gz GQXLNJVDUXDKTO-SSDOTTSWSA-N -1 0 316.339 -0.326 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)n1 ZINC001600934036 1017748886 /nfs/dbraw/zinc/74/88/86/1017748886.db2.gz WWYRRIRYDRPXJL-ZCFIWIBFSA-N -1 0 306.282 -0.384 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)cn1 ZINC001600941594 1017749475 /nfs/dbraw/zinc/74/94/75/1017749475.db2.gz XDKOIIPPWBZFKS-LLVKDONJSA-N -1 0 322.321 -0.324 20 0 DBADRM Cn1cc([C@H](O)CNS(=O)(=O)c2ccc(C(=O)[O-])o2)cn1 ZINC001600942599 1017749521 /nfs/dbraw/zinc/74/95/21/1017749521.db2.gz KKUNYVVGPPMAHD-MRVPVSSYSA-N -1 0 315.307 -0.277 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)cn1 ZINC001600946916 1017749738 /nfs/dbraw/zinc/74/97/38/1017749738.db2.gz JBFLUSFOTSTYJV-BXUZGUMPSA-N -1 0 311.338 -0.536 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@H](CCF)C(=O)[O-])c(=O)n(C)c1=O ZINC001600945927 1017749921 /nfs/dbraw/zinc/74/99/21/1017749921.db2.gz NNVMHMUZQRIMCG-ZBJFTSOASA-N -1 0 313.285 -0.974 20 0 DBADRM Cn1cc([C@@H](O)CNS(=O)(=O)CC(C)(C)C(=O)[O-])cn1 ZINC001600942528 1017750076 /nfs/dbraw/zinc/75/00/76/1017750076.db2.gz JGLHZDRACJSIPV-VIFPVBQESA-N -1 0 305.356 -0.516 20 0 DBADRM Cn1cc([C@@]2(C)NC(=O)N(CC(=O)C(C)(C)C(=O)[O-])C2=O)cn1 ZINC001600942932 1017750564 /nfs/dbraw/zinc/75/05/64/1017750564.db2.gz UFSJRDGNQVXGIN-CQSZACIVSA-N -1 0 322.321 -0.133 20 0 DBADRM Cn1cc([C@H](O)CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC001600942747 1017750590 /nfs/dbraw/zinc/75/05/90/1017750590.db2.gz OTYCQPXUXBESIR-SNVBAGLBSA-N -1 0 314.323 -0.542 20 0 DBADRM Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)COCC(=O)[O-])cn1 ZINC001600943813 1017750783 /nfs/dbraw/zinc/75/07/83/1017750783.db2.gz MURXNUWYCQAXEZ-CWKPULSASA-N -1 0 315.351 -0.847 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cn1 ZINC001600949318 1017751519 /nfs/dbraw/zinc/75/15/19/1017751519.db2.gz ZUVOXAQUDANKHZ-FHUSYTEZSA-N -1 0 307.350 -0.061 20 0 DBADRM Cn1cc(CCC(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)nn1 ZINC001600948962 1017752069 /nfs/dbraw/zinc/75/20/69/1017752069.db2.gz OWXBACWTFWNESD-UHFFFAOYSA-N -1 0 324.337 -0.386 20 0 DBADRM Cn1cc(CN2CC[C@H](NS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC001600952203 1017752201 /nfs/dbraw/zinc/75/22/01/1017752201.db2.gz PGVREISENMSLSJ-JTQLQIEISA-N -1 0 301.368 -0.153 20 0 DBADRM Cn1cc(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC001600952206 1017752613 /nfs/dbraw/zinc/75/26/13/1017752613.db2.gz PGVREISENMSLSJ-SNVBAGLBSA-N -1 0 301.368 -0.153 20 0 DBADRM Cn1cc(N2CCN(c3ccnc(C(=O)[O-])n3)CC2=O)cn1 ZINC001600958261 1017754237 /nfs/dbraw/zinc/75/42/37/1017754237.db2.gz ARWIQQBQADTQSJ-UHFFFAOYSA-N -1 0 302.294 -0.239 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC3(C2)OCCO3)cc1C(=O)[O-] ZINC001600958382 1017754258 /nfs/dbraw/zinc/75/42/58/1017754258.db2.gz DJEJTVZCWDXAJU-UHFFFAOYSA-N -1 0 323.305 -0.363 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2=O)cn1 ZINC001600959407 1017754850 /nfs/dbraw/zinc/75/48/50/1017754850.db2.gz UHNDAPWBJVEOKK-WDEREUQCSA-N -1 0 306.322 -0.294 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)cc1C(=O)[O-] ZINC001600958717 1017754898 /nfs/dbraw/zinc/75/48/98/1017754898.db2.gz JLDNEKZJLHIEMZ-AWEZNQCLSA-N -1 0 322.321 -0.614 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CC[C@](F)(CO)C2)cc1C(=O)[O-] ZINC001600958384 1017755171 /nfs/dbraw/zinc/75/51/71/1017755171.db2.gz DJSFHYRGYZOBRQ-CYBMUJFWSA-N -1 0 313.285 -0.405 20 0 DBADRM Cn1cc(I)c(C(=O)NCC(=O)[O-])n1 ZINC001600957745 1017755391 /nfs/dbraw/zinc/75/53/91/1017755391.db2.gz PLKRLCPPHXMREW-UHFFFAOYSA-N -1 0 309.063 -0.161 20 0 DBADRM Cn1cc(CNC(=O)C(=O)NCc2ccc(C(=O)[O-])s2)nn1 ZINC001600953435 1017755432 /nfs/dbraw/zinc/75/54/32/1017755432.db2.gz FSCARIIDAKTQAQ-UHFFFAOYSA-N -1 0 323.334 -0.493 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCCn2cncn2)cc1C(=O)[O-] ZINC001600959691 1017755585 /nfs/dbraw/zinc/75/55/85/1017755585.db2.gz CJXCVULVIPBGLF-UHFFFAOYSA-N -1 0 306.282 -0.930 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)Cn3ccc(C(=O)[O-])n3)C2)cn1 ZINC001600960209 1017756127 /nfs/dbraw/zinc/75/61/27/1017756127.db2.gz COZOUGZKTDNTST-SNVBAGLBSA-N -1 0 318.337 -0.290 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)N3CCO[C@H](C(=O)[O-])C3)C2)cn1 ZINC001600961828 1017756151 /nfs/dbraw/zinc/75/61/51/1017756151.db2.gz MSABVKSROUKKJU-JQWIXIFHSA-N -1 0 323.353 -0.506 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@H]2COCCO2)cc1C(=O)[O-] ZINC001600960634 1017756340 /nfs/dbraw/zinc/75/63/40/1017756340.db2.gz NPZGQGBLUZCREB-VIFPVBQESA-N -1 0 311.294 -0.807 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)NC3(CC(=O)[O-])CC3)CC2=O)cn1 ZINC001600962132 1017756424 /nfs/dbraw/zinc/75/64/24/1017756424.db2.gz PZRUURDOYINOLX-SECBINFHSA-N -1 0 306.322 -0.104 20 0 DBADRM Cn1cc(NC(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc1C(=O)[O-] ZINC001600964430 1017756516 /nfs/dbraw/zinc/75/65/16/1017756516.db2.gz JHYKPECYWJDFSK-ZETCQYMHSA-N -1 0 309.282 -0.525 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(C(C)(C)C)n1 ZINC001600967874 1017756611 /nfs/dbraw/zinc/75/66/11/1017756611.db2.gz JNDHHQGPOKPOGZ-SSDOTTSWSA-N -1 0 305.356 -0.559 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)Cn3cc(C(=O)[O-])cn3)C2)cn1 ZINC001600961815 1017758275 /nfs/dbraw/zinc/75/82/75/1017758275.db2.gz MNFKQFHNDQSSQI-LLVKDONJSA-N -1 0 318.337 -0.290 20 0 DBADRM Cn1ccc(-n2cc(CN[C@@]3(CC(=O)[O-])CCOC3)nn2)n1 ZINC001600972155 1017759611 /nfs/dbraw/zinc/75/96/11/1017759611.db2.gz ODDGWOADPQAWJS-CYBMUJFWSA-N -1 0 306.326 -0.276 20 0 DBADRM Cn1ccc(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)n1 ZINC001600972649 1017759935 /nfs/dbraw/zinc/75/99/35/1017759935.db2.gz PEXMOOAPWXQNFO-UHFFFAOYSA-N -1 0 304.310 -0.438 20 0 DBADRM Cn1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600970873 1017760700 /nfs/dbraw/zinc/76/07/00/1017760700.db2.gz GWCNGFDNRAMSFI-NXEZZACHSA-N -1 0 306.322 -0.671 20 0 DBADRM Cn1cc(S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-])nc1Cl ZINC001600968439 1017761138 /nfs/dbraw/zinc/76/11/38/1017761138.db2.gz WFRCLRTWHHZLEG-LURJTMIESA-N -1 0 311.747 -0.424 20 0 DBADRM Cn1ccc(=O)n(CC(=O)Nc2cccc(C(=O)[O-])c2)c1=O ZINC001600971368 1017761394 /nfs/dbraw/zinc/76/13/94/1017761394.db2.gz RZIGXLVSZWPQQQ-UHFFFAOYSA-N -1 0 303.274 -0.116 20 0 DBADRM Cn1ccc(C(=O)NCCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1=O ZINC001600972579 1017762088 /nfs/dbraw/zinc/76/20/88/1017762088.db2.gz KQKMPBXVXKOATC-MNOVXSKESA-N -1 0 321.333 -0.658 20 0 DBADRM Cn1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001600975646 1017763694 /nfs/dbraw/zinc/76/36/94/1017763694.db2.gz FWCWFHGJMMCVSH-OBPIAQAESA-N -1 0 304.350 -0.313 20 0 DBADRM Cn1cccc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600978520 1017764373 /nfs/dbraw/zinc/76/43/73/1017764373.db2.gz FTDNTZOCJOVHFZ-MNOVXSKESA-N -1 0 305.334 -0.066 20 0 DBADRM Cn1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600972708 1017764593 /nfs/dbraw/zinc/76/45/93/1017764593.db2.gz RTCNQQUGVFXSRO-LMLFDSFASA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1ccc([C@@H](NC(=O)c2cnc3n[nH]nc3c2)C(=O)[O-])n1 ZINC001600973060 1017765194 /nfs/dbraw/zinc/76/51/94/1017765194.db2.gz FOQHMOOCVGTCTE-SECBINFHSA-N -1 0 301.266 -0.358 20 0 DBADRM Cn1ccc([C@@H](NS(=O)(=O)c2cscn2)C(=O)[O-])n1 ZINC001600976788 1017765711 /nfs/dbraw/zinc/76/57/11/1017765711.db2.gz WFYBGPQIRGIJIJ-MRVPVSSYSA-N -1 0 302.337 -0.019 20 0 DBADRM Cn1ccnc1C1(O)CN(C(=O)c2ccoc2CC(=O)[O-])C1 ZINC001600983752 1017767286 /nfs/dbraw/zinc/76/72/86/1017767286.db2.gz BCFPFHJNXIMINE-UHFFFAOYSA-N -1 0 305.290 -0.016 20 0 DBADRM Cn1ccnc1C1(O)CN(C(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001600982718 1017768206 /nfs/dbraw/zinc/76/82/06/1017768206.db2.gz JZSSHZUWAQMLAK-UHFFFAOYSA-N -1 0 302.290 -0.143 20 0 DBADRM Cn1ccnc1[C@@H]1C[C@H](NC(=O)N2CC(O)(C(=O)[O-])C2)CCO1 ZINC001600984486 1017768719 /nfs/dbraw/zinc/76/87/19/1017768719.db2.gz MBVAHLWLCGHJIX-ZJUUUORDSA-N -1 0 324.337 -0.519 20 0 DBADRM Cn1ccnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600985671 1017768938 /nfs/dbraw/zinc/76/89/38/1017768938.db2.gz XJLWWPUHQYAYQK-VLLVSFFDSA-N -1 0 304.350 -0.313 20 0 DBADRM Cn1ccnc1C(NC(=O)COCC(=O)[O-])c1nccn1C ZINC001600980705 1017769286 /nfs/dbraw/zinc/76/92/86/1017769286.db2.gz IJXNFDYUSUDVRA-UHFFFAOYSA-N -1 0 307.310 -0.540 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)n1 ZINC001600988784 1017770020 /nfs/dbraw/zinc/77/00/20/1017770020.db2.gz FDYIUQAAYXMEKR-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cn1cnc(C(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])cc1=O ZINC001600987377 1017770523 /nfs/dbraw/zinc/77/05/23/1017770523.db2.gz OBRVHMWUPVGUIO-LLVKDONJSA-N -1 0 316.317 -0.151 20 0 DBADRM Cn1cnc(CCCNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001600990527 1017770549 /nfs/dbraw/zinc/77/05/49/1017770549.db2.gz WQDGHGKQOCLFMG-VHSXEESVSA-N -1 0 311.342 -0.775 20 0 DBADRM Cn1cnc(NC(=O)C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC001600989780 1017771099 /nfs/dbraw/zinc/77/10/99/1017771099.db2.gz RORJEMLDPZFKEZ-SECBINFHSA-N -1 0 315.289 -0.031 20 0 DBADRM Cn1cncc1C(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001600992228 1017771427 /nfs/dbraw/zinc/77/14/27/1017771427.db2.gz FTADGFZKKGSAJH-JTQLQIEISA-N -1 0 316.321 -0.083 20 0 DBADRM Cn1ccc([C@H](NC(=O)/C=C\CN2CCOCC2)C(=O)[O-])n1 ZINC001600990129 1017772267 /nfs/dbraw/zinc/77/22/67/1017772267.db2.gz OHKQDJJCKCGUEY-ZRMMWKCHSA-N -1 0 308.338 -0.450 20 0 DBADRM Cn1cnc(CCCNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)n1 ZINC001600990528 1017773171 /nfs/dbraw/zinc/77/31/71/1017773171.db2.gz WQDGHGKQOCLFMG-ZJUUUORDSA-N -1 0 311.342 -0.775 20 0 DBADRM Cn1cnn(CCC(=O)Nc2nc(CC(=O)[O-])cs2)c1=O ZINC001600994790 1017773591 /nfs/dbraw/zinc/77/35/91/1017773591.db2.gz WAHNNMMHKZCAOB-UHFFFAOYSA-N -1 0 311.323 -0.306 20 0 DBADRM Cn1cncc1CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001600993033 1017773939 /nfs/dbraw/zinc/77/39/39/1017773939.db2.gz IXAIKRFDGKZSNH-UHFFFAOYSA-N -1 0 305.294 -0.288 20 0 DBADRM Cn1cnn(CC(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)c1=O ZINC001600995257 1017774433 /nfs/dbraw/zinc/77/44/33/1017774433.db2.gz HMCCKFVGCLJAIR-NSHDSACASA-N -1 0 306.278 -0.771 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001600994490 1017774541 /nfs/dbraw/zinc/77/45/41/1017774541.db2.gz VJHZOWUTHQCFOH-BBBLOLIVSA-N -1 0 309.322 -0.144 20 0 DBADRM Cn1cncc1C(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600992349 1017775191 /nfs/dbraw/zinc/77/51/91/1017775191.db2.gz LOTTWKJOVJWOFN-MNOVXSKESA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1cncc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600992785 1017776681 /nfs/dbraw/zinc/77/66/81/1017776681.db2.gz UTRWIVIUROCGBA-YTWAJWBKSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1cncc1CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600993778 1017776833 /nfs/dbraw/zinc/77/68/33/1017776833.db2.gz VYCILHXYISMLLE-VXGBXAGGSA-N -1 0 320.349 -0.646 20 0 DBADRM Cn1cnn(CC(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)c1=O ZINC001600995628 1017777833 /nfs/dbraw/zinc/77/78/33/1017777833.db2.gz MUIWKPLICXPGMX-LLVKDONJSA-N -1 0 316.317 -0.128 20 0 DBADRM Cn1nc(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)ccc1=O ZINC001600999581 1017778231 /nfs/dbraw/zinc/77/82/31/1017778231.db2.gz PSPSLALTWBYJTQ-UHFFFAOYSA-N -1 0 320.305 -0.384 20 0 DBADRM Cn1cnn(CC(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)c1=O ZINC001600995629 1017779808 /nfs/dbraw/zinc/77/98/08/1017779808.db2.gz MUIWKPLICXPGMX-NSHDSACASA-N -1 0 316.317 -0.128 20 0 DBADRM Cn1cnnc1[C@H]1CCN(C(=O)c2cc(C(=O)[O-])nn2C)C1 ZINC001600996345 1017779827 /nfs/dbraw/zinc/77/98/27/1017779827.db2.gz NARCQQJQOHUNCS-QMMMGPOBSA-N -1 0 304.310 -0.124 20 0 DBADRM Cn1cnnc1CCCNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001600996795 1017780074 /nfs/dbraw/zinc/78/00/74/1017780074.db2.gz XGEDJSHILFVJBH-ZJUUUORDSA-N -1 0 316.383 -0.080 20 0 DBADRM Cn1cnnc1CCCNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001600996828 1017780165 /nfs/dbraw/zinc/78/01/65/1017780165.db2.gz ZGXQNPBXZCTBBM-UHFFFAOYSA-N -1 0 302.356 -0.326 20 0 DBADRM Cn1cnn(CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1=O ZINC001600996727 1017780246 /nfs/dbraw/zinc/78/02/46/1017780246.db2.gz ZAAQXVWVMVVXEC-NHCYSSNCSA-N -1 0 308.338 -0.316 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN(CC(C)(C)O)CC1 ZINC001601000656 1017781320 /nfs/dbraw/zinc/78/13/20/1017781320.db2.gz WOTKGNQBFZZSGB-UHFFFAOYSA-N -1 0 310.354 -0.353 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCN1CCOC(C)(C)C1 ZINC001601001553 1017782090 /nfs/dbraw/zinc/78/20/90/1017782090.db2.gz GSAIWJZDXVRVQD-UHFFFAOYSA-N -1 0 310.354 -0.041 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN(c2nc[nH]n2)CC1 ZINC001601000437 1017782466 /nfs/dbraw/zinc/78/24/66/1017782466.db2.gz IRLVERHHHZWYPX-UHFFFAOYSA-N -1 0 305.298 -0.801 20 0 DBADRM Cn1nc(NC(=O)NCC(=O)N=S(C)(C)=O)cc1C(=O)[O-] ZINC001601015624 1017783238 /nfs/dbraw/zinc/78/32/38/1017783238.db2.gz LEBWOUJFDJTLJJ-UHFFFAOYSA-N -1 0 317.327 -0.506 20 0 DBADRM Cn1nc(NC(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC001601014114 1017783956 /nfs/dbraw/zinc/78/39/56/1017783956.db2.gz NCNGVLFZPYQYFM-ZETCQYMHSA-N -1 0 316.339 -0.231 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)NCCCN1CCOCC1 ZINC001601024190 1017785109 /nfs/dbraw/zinc/78/51/09/1017785109.db2.gz VRKDNZSDMAYAHO-UHFFFAOYSA-N -1 0 311.342 -0.038 20 0 DBADRM Cn1ncc(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)n1 ZINC001601025997 1017785811 /nfs/dbraw/zinc/78/58/11/1017785811.db2.gz AGEHULJVDGLWPQ-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM Cn1ncc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c1-n1cnnc1 ZINC001601021766 1017785825 /nfs/dbraw/zinc/78/58/25/1017785825.db2.gz MYEJNILMNDQBFB-SECBINFHSA-N -1 0 302.294 -0.096 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@]1(C)CCOC1 ZINC001601022821 1017785948 /nfs/dbraw/zinc/78/59/48/1017785948.db2.gz IAOQYTHNXBWBBL-ZDUSSCGKSA-N -1 0 310.310 -0.400 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCC[C@@H]1CCOC1 ZINC001601023661 1017786080 /nfs/dbraw/zinc/78/60/80/1017786080.db2.gz SVASNALDVLOMER-MRVPVSSYSA-N -1 0 310.310 -0.400 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N[C@H]1COC2(CCC2)C1 ZINC001601021544 1017786170 /nfs/dbraw/zinc/78/61/70/1017786170.db2.gz HWZSZKGPAPTMHS-MRVPVSSYSA-N -1 0 322.321 -0.115 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC1CC(F)(F)C1 ZINC001601022015 1017786717 /nfs/dbraw/zinc/78/67/17/1017786717.db2.gz QINVZWAORHKITK-UHFFFAOYSA-N -1 0 302.237 -0.029 20 0 DBADRM Cn1ncc(C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CCC2)n1 ZINC001601022086 1017786764 /nfs/dbraw/zinc/78/67/64/1017786764.db2.gz XIIJAQPNILNLSJ-BDAKNGLRSA-N -1 0 321.337 -0.696 20 0 DBADRM Cn1ncc(S(=O)(=O)NCCC(=O)[O-])c1Br ZINC001601028630 1017788523 /nfs/dbraw/zinc/78/85/23/1017788523.db2.gz CHPLSMYPHORTBN-UHFFFAOYSA-N -1 0 312.145 -0.064 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CC3CC1(C(=O)[O-])C3)c2=O ZINC001601029771 1017789704 /nfs/dbraw/zinc/78/97/04/1017789704.db2.gz OJCIKYXDQBUOSG-UHFFFAOYSA-N -1 0 317.305 -0.794 20 0 DBADRM Cn1nccc1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001601031838 1017790139 /nfs/dbraw/zinc/79/01/39/1017790139.db2.gz NKXBAGUIYROQBX-HLKOZVMDSA-N -1 0 306.322 -0.457 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N[C@H]1CC=C(C(=O)[O-])C1)c2=O ZINC001601029774 1017790353 /nfs/dbraw/zinc/79/03/53/1017790353.db2.gz OLYCTCRMTBWGPC-VIFPVBQESA-N -1 0 317.305 -0.580 20 0 DBADRM Cn1ncc(CCC(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)n1 ZINC001601027883 1017790717 /nfs/dbraw/zinc/79/07/17/1017790717.db2.gz UUNKLUIDQDFFFS-JTQLQIEISA-N -1 0 310.310 -0.634 20 0 DBADRM Cn1ncc2c1nnn(CN1CCC[C@](C)(C(=O)[O-])C1)c2=O ZINC001601029259 1017790956 /nfs/dbraw/zinc/79/09/56/1017790956.db2.gz ASAWSEVXGCNVFW-ZDUSSCGKSA-N -1 0 306.326 -0.331 20 0 DBADRM Cn1nccc1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001601031841 1017790986 /nfs/dbraw/zinc/79/09/86/1017790986.db2.gz NKXBAGUIYROQBX-NBYFHADBSA-N -1 0 306.322 -0.457 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@H]1CCc2nncn2C1)C(=O)[O-] ZINC001601032925 1017791756 /nfs/dbraw/zinc/79/17/56/1017791756.db2.gz NJGFCOZQHZDJDE-GZMMTYOYSA-N -1 0 304.310 -0.484 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CNC(=O)c1cccnc1)C(=O)[O-] ZINC001601033241 1017791934 /nfs/dbraw/zinc/79/19/34/1017791934.db2.gz YLMFWSXTSCKBHZ-LBPRGKRZSA-N -1 0 317.305 -0.513 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC001601033250 1017792944 /nfs/dbraw/zinc/79/29/44/1017792944.db2.gz YVVWAVRCXJXTRZ-JTQLQIEISA-N -1 0 303.340 -0.513 20 0 DBADRM Cn1ncnc1CCCNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001601039089 1017793795 /nfs/dbraw/zinc/79/37/95/1017793795.db2.gz YVMPGJFFHOKNOE-UHFFFAOYSA-N -1 0 316.383 -0.078 20 0 DBADRM Cn1nccc1CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601037906 1017794136 /nfs/dbraw/zinc/79/41/36/1017794136.db2.gz NDIFQBGFKYFNMR-NEPJUHHUSA-N -1 0 320.349 -0.646 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1 ZINC001601038592 1017794274 /nfs/dbraw/zinc/79/42/74/1017794274.db2.gz CBOBIKTXPXUDGE-UHFFFAOYSA-N -1 0 320.349 -0.120 20 0 DBADRM Cn1nccc1CNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001601039058 1017794379 /nfs/dbraw/zinc/79/43/79/1017794379.db2.gz CWXMKCPJQNUDTJ-CYBMUJFWSA-N -1 0 307.310 -0.065 20 0 DBADRM Cn1nccc1[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCO1 ZINC001601038537 1017794483 /nfs/dbraw/zinc/79/44/83/1017794483.db2.gz ZQXQXFVUHYPOLY-WOPDTQHZSA-N -1 0 309.322 -0.048 20 0 DBADRM Cn1nccc1CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601037911 1017794622 /nfs/dbraw/zinc/79/46/22/1017794622.db2.gz NDIFQBGFKYFNMR-VXGBXAGGSA-N -1 0 320.349 -0.646 20 0 DBADRM Cn1nccc1CC(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001601038487 1017795496 /nfs/dbraw/zinc/79/54/96/1017795496.db2.gz YHVPIPGKYWZXNK-NEPJUHHUSA-N -1 0 320.349 -0.742 20 0 DBADRM Cn1nccc1COCC(=O)OCCn1cc(C(=O)[O-])nn1 ZINC001601038002 1017795901 /nfs/dbraw/zinc/79/59/01/1017795901.db2.gz RTXMVLOQCNPGRE-UHFFFAOYSA-N -1 0 309.282 -0.530 20 0 DBADRM Cn1nccc1COCC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001601038186 1017796378 /nfs/dbraw/zinc/79/63/78/1017796378.db2.gz WYXXLCNPPUULSL-UHFFFAOYSA-N -1 0 319.321 -0.016 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC001601038816 1017796510 /nfs/dbraw/zinc/79/65/10/1017796510.db2.gz NEQMLJCJDSMLJJ-UHFFFAOYSA-N -1 0 316.317 -0.214 20 0 DBADRM Cn1nnc(C(=O)N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)n1 ZINC001601040369 1017797257 /nfs/dbraw/zinc/79/72/57/1017797257.db2.gz CUDIUIYWUKRWGH-WDEREUQCSA-N -1 0 317.305 -0.144 20 0 DBADRM Cn1nncc1CNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001601042420 1017797316 /nfs/dbraw/zinc/79/73/16/1017797316.db2.gz CNBMWNBRTNCKCU-LBPRGKRZSA-N -1 0 308.298 -0.670 20 0 DBADRM Cn1nncc1CNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001601042418 1017797342 /nfs/dbraw/zinc/79/73/42/1017797342.db2.gz CNBMWNBRTNCKCU-GFCCVEGCSA-N -1 0 308.298 -0.670 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001601040586 1017797432 /nfs/dbraw/zinc/79/74/32/1017797432.db2.gz FCOBCDBONYZYEQ-NSHDSACASA-N -1 0 319.321 -0.339 20 0 DBADRM Cn1nnc(CNS(=O)(=O)c2ccc(F)cc2C(=O)[O-])n1 ZINC001601040591 1017797886 /nfs/dbraw/zinc/79/78/86/1017797886.db2.gz FJFWMFKJZXOYEY-UHFFFAOYSA-N -1 0 315.286 -0.474 20 0 DBADRM Cn1nccc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001601039898 1017798057 /nfs/dbraw/zinc/79/80/57/1017798057.db2.gz VCHLLQLAXJHQQJ-OBPIAQAESA-N -1 0 304.350 -0.313 20 0 DBADRM Cn1nnc(CN2CCC(C)(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001601041007 1017798228 /nfs/dbraw/zinc/79/82/28/1017798228.db2.gz YZELFNNBXNYQHP-ZJUUUORDSA-N -1 0 322.369 -0.599 20 0 DBADRM Cn1ncn(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1=O ZINC001601040241 1017798816 /nfs/dbraw/zinc/79/88/16/1017798816.db2.gz WDCIFSXJSNEEFP-GFCCVEGCSA-N -1 0 316.317 -0.380 20 0 DBADRM Cn1nncc1C(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001601041968 1017799528 /nfs/dbraw/zinc/79/95/28/1017799528.db2.gz GBYOMCXMMIWFJX-SECBINFHSA-N -1 0 317.309 -0.688 20 0 DBADRM Cn1nncc1NC(=O)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001601044826 1017800292 /nfs/dbraw/zinc/80/02/92/1017800292.db2.gz OTFSCJSPLHTROX-UHFFFAOYSA-N -1 0 317.305 -0.189 20 0 DBADRM Cn1nncc1CNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001601043565 1017800735 /nfs/dbraw/zinc/80/07/35/1017800735.db2.gz YPBKGQACVZPXMJ-UHFFFAOYSA-N -1 0 317.305 -0.303 20 0 DBADRM Cn1nnc2cc(C(=O)N3CCC[C@@H](O)[C@H]3C(=O)[O-])cnc21 ZINC001601044007 1017800749 /nfs/dbraw/zinc/80/07/49/1017800749.db2.gz WEROGLNQQPKZLB-ZJUUUORDSA-N -1 0 305.294 -0.587 20 0 DBADRM Cn1nncc1CN1CCC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601043427 1017800760 /nfs/dbraw/zinc/80/07/60/1017800760.db2.gz TXHNLKYJUHRWBY-OLZOCXBDSA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1nncc1CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001601042875 1017800887 /nfs/dbraw/zinc/80/08/87/1017800887.db2.gz MGVMVSRWVQCQEL-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1cnccn1 ZINC001498426681 1017801129 /nfs/dbraw/zinc/80/11/29/1017801129.db2.gz GIWNROFBYACNPF-SNVBAGLBSA-N -1 0 319.369 -0.130 20 0 DBADRM Cn1nnnc1CCNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001601045614 1017801300 /nfs/dbraw/zinc/80/13/00/1017801300.db2.gz DTZZNBCUUZMKKO-UHFFFAOYSA-N -1 0 301.284 -0.978 20 0 DBADRM Cn1nncc1CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001601043480 1017801341 /nfs/dbraw/zinc/80/13/41/1017801341.db2.gz UZYJBIKJNHTJEJ-UHFFFAOYSA-N -1 0 317.305 -0.303 20 0 DBADRM Cn1nnnc1CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001601046092 1017802031 /nfs/dbraw/zinc/80/20/31/1017802031.db2.gz KIDFAWBTTGYLNT-UHFFFAOYSA-N -1 0 311.323 -0.571 20 0 DBADRM NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(C(=O)[O-])n1 ZINC001601137206 1017807469 /nfs/dbraw/zinc/80/74/69/1017807469.db2.gz LNWGHCHOEOZQAY-CBLAIPOGSA-N -1 0 319.321 -0.724 20 0 DBADRM NC(=O)C(=O)NCC1(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCCCC1 ZINC001601136732 1017807539 /nfs/dbraw/zinc/80/75/39/1017807539.db2.gz DESUCMVRVQXTKX-IUCAKERBSA-N -1 0 311.338 -0.872 20 0 DBADRM NC(=O)C(=O)N[C@@]12CCC[C@H]1N(c1ccnc(C(=O)[O-])n1)CC2 ZINC001601136284 1017808124 /nfs/dbraw/zinc/80/81/24/1017808124.db2.gz AJLQCFVXRIHGBP-XLKFXECMSA-N -1 0 319.321 -0.722 20 0 DBADRM NC(=O)[C@@H](F)C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC001601138131 1017808467 /nfs/dbraw/zinc/80/84/67/1017808467.db2.gz LLRLCSNCJVFYAH-UTLUCORTSA-N -1 0 302.302 -0.319 20 0 DBADRM NC(=O)C(=O)N[C@H]1CC[C@H](CNc2ccnc(C(=O)[O-])n2)CC1 ZINC001601137524 1017809320 /nfs/dbraw/zinc/80/93/20/1017809320.db2.gz UMQMMYCSJGPKKC-KYZUINATSA-N -1 0 321.337 -0.831 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001601142777 1017810004 /nfs/dbraw/zinc/81/00/04/1017810004.db2.gz QYCGDNOYITVSAV-BBBLOLIVSA-N -1 0 321.337 -0.349 20 0 DBADRM NC(=O)C1(O)CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001601141529 1017810357 /nfs/dbraw/zinc/81/03/57/1017810357.db2.gz XMGHBSDPHAIZCI-UHFFFAOYSA-N -1 0 315.232 -0.273 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC001601140423 1017810516 /nfs/dbraw/zinc/81/05/16/1017810516.db2.gz BHEQXHXNWPXFBB-JTQLQIEISA-N -1 0 320.305 -0.186 20 0 DBADRM NC(=O)[C@@H]1CCCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001601145784 1017810786 /nfs/dbraw/zinc/81/07/86/1017810786.db2.gz SNIRWPVXBRNSNL-JTQLQIEISA-N -1 0 307.306 -0.587 20 0 DBADRM NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001601144467 1017811116 /nfs/dbraw/zinc/81/11/16/1017811116.db2.gz HNMFJRHWPCKFEI-DTWKUNHWSA-N -1 0 304.368 -0.185 20 0 DBADRM NC(=O)CC(=O)N1CCCC[C@@H]1CNc1ccnc(C(=O)[O-])n1 ZINC001601145401 1017811189 /nfs/dbraw/zinc/81/11/89/1017811189.db2.gz GPZBWJHPSFHOPW-SECBINFHSA-N -1 0 321.337 -0.735 20 0 DBADRM NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001601144173 1017811264 /nfs/dbraw/zinc/81/12/64/1017811264.db2.gz FJYPAPLBJFCJBA-JTQLQIEISA-N -1 0 313.335 -0.192 20 0 DBADRM NC(=O)[C@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])c2)CCO1 ZINC001601146484 1017811989 /nfs/dbraw/zinc/81/19/89/1017811989.db2.gz QJEZYKVLZNLVGL-LLVKDONJSA-N -1 0 307.306 -0.491 20 0 DBADRM NC(=O)C[C@H]1CCCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001601147891 1017812032 /nfs/dbraw/zinc/81/20/32/1017812032.db2.gz LNNZSBZVQGBRPV-BBBLOLIVSA-N -1 0 304.368 -0.233 20 0 DBADRM NC(=O)[C@@H]1CN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CCO1 ZINC001601146301 1017812080 /nfs/dbraw/zinc/81/20/80/1017812080.db2.gz PWBARWCJGXXGPF-NSHDSACASA-N -1 0 307.306 -0.491 20 0 DBADRM NC(=O)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(C(=O)[O-])n1 ZINC001601146413 1017812122 /nfs/dbraw/zinc/81/21/22/1017812122.db2.gz SYSXEPJPVWOQCI-RKDXNWHRSA-N -1 0 321.337 -0.689 20 0 DBADRM NC(=O)C[C@@H]1COCCN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001601148337 1017812364 /nfs/dbraw/zinc/81/23/64/1017812364.db2.gz MJVUNZVYICYUIH-LLVKDONJSA-N -1 0 322.317 -0.134 20 0 DBADRM NC(=O)C[C@H]1CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC001601148039 1017812398 /nfs/dbraw/zinc/81/23/98/1017812398.db2.gz JKICRJZESVXKQT-UTLUCORTSA-N -1 0 320.367 -0.854 20 0 DBADRM NC(=O)CC(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(C(=O)[O-])n1 ZINC001601146765 1017812430 /nfs/dbraw/zinc/81/24/30/1017812430.db2.gz UUZBCRDUBUPARX-DTWKUNHWSA-N -1 0 321.337 -0.831 20 0 DBADRM NC(=O)C[C@H]1CCCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001601147798 1017812434 /nfs/dbraw/zinc/81/24/34/1017812434.db2.gz JRAUWAIMYFLBTQ-SECBINFHSA-N -1 0 324.341 -0.727 20 0 DBADRM NC(=O)CC1(CNC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)CC1 ZINC001601147627 1017812479 /nfs/dbraw/zinc/81/24/79/1017812479.db2.gz PCOXAMRBJAOEQY-UHFFFAOYSA-N -1 0 321.337 -0.128 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2ccsc2C(=O)[O-])C[C@H]1C(N)=O ZINC001601147064 1017812524 /nfs/dbraw/zinc/81/25/24/1017812524.db2.gz XDNKTFZRXZGLMA-RNFRBKRXSA-N -1 0 311.319 -0.895 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C[C@H]1C(N)=O ZINC001601146848 1017812750 /nfs/dbraw/zinc/81/27/50/1017812750.db2.gz VVBZJXJOMUZOHA-RKDXNWHRSA-N -1 0 323.349 -0.933 20 0 DBADRM NC(=O)CCCC(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CC1 ZINC001601149264 1017813051 /nfs/dbraw/zinc/81/30/51/1017813051.db2.gz FPIRWFLHVBXLFJ-UHFFFAOYSA-N -1 0 321.337 -0.109 20 0 DBADRM NC(=O)CNC(=O)c1ccc(NC(=O)C2(C(=O)[O-])CC2)cc1 ZINC001601152085 1017813208 /nfs/dbraw/zinc/81/32/08/1017813208.db2.gz KCRZJIBWSAIAET-UHFFFAOYSA-N -1 0 305.290 -0.295 20 0 DBADRM NC(=O)CN(C(=O)CCSCC(=O)[O-])C1CCOCC1 ZINC001601150546 1017813269 /nfs/dbraw/zinc/81/32/69/1017813269.db2.gz GTCOWWCKRRVPGR-UHFFFAOYSA-N -1 0 304.368 -0.313 20 0 DBADRM NC(=O)CCn1ccc(N[C@@H]2CCN(CCC(=O)[O-])C2=O)n1 ZINC001601150961 1017813285 /nfs/dbraw/zinc/81/32/85/1017813285.db2.gz UGJICORPMRNNJB-SECBINFHSA-N -1 0 309.326 -0.754 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC001601151133 1017813363 /nfs/dbraw/zinc/81/33/63/1017813363.db2.gz QEIDWODXIDILMY-DUXPYHPUSA-N -1 0 307.306 -0.380 20 0 DBADRM NC(=O)CCNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001601150300 1017813591 /nfs/dbraw/zinc/81/35/91/1017813591.db2.gz QQJAEXOVTQCLAR-UHFFFAOYSA-N -1 0 313.697 -0.032 20 0 DBADRM NC(=O)CN1CCN(CCOc2cccc(C(=O)[O-])c2)CC1=O ZINC001601151190 1017813697 /nfs/dbraw/zinc/81/36/97/1017813697.db2.gz SRHIBQORAADIGA-UHFFFAOYSA-N -1 0 321.333 -0.607 20 0 DBADRM NC(=O)COc1cccc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1 ZINC001601151867 1017813982 /nfs/dbraw/zinc/81/39/82/1017813982.db2.gz JDPHXYGNQCKMIC-OAHLLOKOSA-N -1 0 322.317 -0.086 20 0 DBADRM NC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001601154897 1017814191 /nfs/dbraw/zinc/81/41/91/1017814191.db2.gz AKWNWWIAHVQJPU-WPRPVWTQSA-N -1 0 322.325 -0.707 20 0 DBADRM NC(=O)COc1cccc2c1CCCN2C(=O)COCC(=O)[O-] ZINC001601153152 1017814326 /nfs/dbraw/zinc/81/43/26/1017814326.db2.gz ZWRLBOSAHCKORW-UHFFFAOYSA-N -1 0 322.317 -0.069 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1 ZINC001601152602 1017814361 /nfs/dbraw/zinc/81/43/61/1017814361.db2.gz VOOQYUCAIXZJMM-GHMZBOCLSA-N -1 0 322.317 -0.542 20 0 DBADRM NC(=O)C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccccc1 ZINC001601154226 1017814464 /nfs/dbraw/zinc/81/44/64/1017814464.db2.gz VURRRNAXNJQDBV-SNVBAGLBSA-N -1 0 317.305 -0.291 20 0 DBADRM NC(=O)Cn1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)ccc1=O ZINC001601154425 1017814672 /nfs/dbraw/zinc/81/46/72/1017814672.db2.gz HFSMQDYBBBWXTR-DTWKUNHWSA-N -1 0 307.306 -0.227 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1 ZINC001601152603 1017814722 /nfs/dbraw/zinc/81/47/22/1017814722.db2.gz VOOQYUCAIXZJMM-MNOVXSKESA-N -1 0 322.317 -0.542 20 0 DBADRM NC(=O)NCCCCC(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001601156181 1017814853 /nfs/dbraw/zinc/81/48/53/1017814853.db2.gz OKSBDELRRLSDAG-UWVGGRQHSA-N -1 0 301.343 -0.322 20 0 DBADRM NC(=O)N[C@H](CC(=O)N1CC(O)(C(=O)[O-])C1)c1ccccc1 ZINC001601155504 1017814856 /nfs/dbraw/zinc/81/48/56/1017814856.db2.gz JKMVSMZUSXEDFM-SNVBAGLBSA-N -1 0 307.306 -0.556 20 0 DBADRM NC(=O)NC1(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)CC1 ZINC001601157654 1017815371 /nfs/dbraw/zinc/81/53/71/1017815371.db2.gz DNDGBQUQKOPRIA-UHFFFAOYSA-N -1 0 310.310 -0.591 20 0 DBADRM NC(=O)NC[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001601158324 1017815652 /nfs/dbraw/zinc/81/56/52/1017815652.db2.gz XDDMYVMANHAWRO-SECBINFHSA-N -1 0 309.326 -0.512 20 0 DBADRM NC(=O)NCCCCC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001601158375 1017815508 /nfs/dbraw/zinc/81/55/08/1017815508.db2.gz ZDIZGVPKZVCMKJ-SECBINFHSA-N -1 0 324.341 -0.412 20 0 DBADRM NC(=O)NC[C@@H]1CCCN(C(=O)NCCOCC(=O)[O-])C1 ZINC001601157513 1017815877 /nfs/dbraw/zinc/81/58/77/1017815877.db2.gz LPDKYNDHCXYNJO-VIFPVBQESA-N -1 0 302.331 -0.823 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1 ZINC001601160418 1017816878 /nfs/dbraw/zinc/81/68/78/1017816878.db2.gz OHPXNTRQTTUORP-LFNDISMMSA-N -1 0 311.338 -0.617 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001601160775 1017816989 /nfs/dbraw/zinc/81/69/89/1017816989.db2.gz XGOVGRYXOUSMLU-QCLAVDOMSA-N -1 0 304.368 -0.187 20 0 DBADRM NC(=O)c1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)ccc1F ZINC001601161778 1017817050 /nfs/dbraw/zinc/81/70/50/1017817050.db2.gz LPBADVDOZRXBKU-UHFFFAOYSA-N -1 0 323.280 -0.156 20 0 DBADRM NC(=O)c1ccc(C(=O)OCC(=O)NCCC(=O)[O-])s1 ZINC001601165345 1017817530 /nfs/dbraw/zinc/81/75/30/1017817530.db2.gz WLBNQMCERQQKFG-UHFFFAOYSA-N -1 0 300.292 -0.405 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1 ZINC001601167492 1017817687 /nfs/dbraw/zinc/81/76/87/1017817687.db2.gz UKYOETDELTZBAH-HNNXBMFYSA-N -1 0 322.317 -0.398 20 0 DBADRM NC(=O)c1ccc(/C=C/C(=O)NC2(C(=O)[O-])CC(CO)C2)o1 ZINC001601164056 1017817744 /nfs/dbraw/zinc/81/77/44/1017817744.db2.gz JCFGZVMDCUQNCW-DUXPYHPUSA-N -1 0 308.290 -0.266 20 0 DBADRM NC(=O)c1ccc(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)o1 ZINC001601165540 1017817780 /nfs/dbraw/zinc/81/77/80/1017817780.db2.gz PFWJBUJNECBWJG-WRXNHJIOSA-N -1 0 302.308 -0.339 20 0 DBADRM NC(=O)c1cccc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC001601168378 1017817796 /nfs/dbraw/zinc/81/77/96/1017817796.db2.gz QNEKUTFLLBSPME-QMMMGPOBSA-N -1 0 308.294 -0.112 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1 ZINC001601164744 1017817881 /nfs/dbraw/zinc/81/78/81/1017817881.db2.gz SSCSBUBQEXWYTG-VXGBXAGGSA-N -1 0 306.318 -0.378 20 0 DBADRM NC(=O)c1cccc(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC001601168377 1017817989 /nfs/dbraw/zinc/81/79/89/1017817989.db2.gz QNEKUTFLLBSPME-MRVPVSSYSA-N -1 0 308.294 -0.112 20 0 DBADRM NC(=O)c1cccc(OCCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001601167992 1017818096 /nfs/dbraw/zinc/81/80/96/1017818096.db2.gz CXYIIKGQWLJGMJ-WCQYABFASA-N -1 0 322.317 -0.087 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001601169287 1017819078 /nfs/dbraw/zinc/81/90/78/1017819078.db2.gz WTEMYOWJJZULLQ-VHSXEESVSA-N -1 0 314.319 -0.694 20 0 DBADRM NC(=O)c1nccnc1C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001601172674 1017819085 /nfs/dbraw/zinc/81/90/85/1017819085.db2.gz WLKRMVRTIOJTBZ-ZDUSSCGKSA-N -1 0 319.277 -0.979 20 0 DBADRM NC(=O)c1cccc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)n1 ZINC001601169372 1017819387 /nfs/dbraw/zinc/81/93/87/1017819387.db2.gz VJNITJFQJGCPPC-CQSZACIVSA-N -1 0 318.289 -0.374 20 0 DBADRM NC(=O)c1cn(CCOC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)nn1 ZINC001601170160 1017819454 /nfs/dbraw/zinc/81/94/54/1017819454.db2.gz TXYWWCYOIOZKGT-KYZUINATSA-N -1 0 310.310 -0.189 20 0 DBADRM N[C@H](CC(=O)N(CCN1CCOCC1)CC(=O)[O-])C(F)F ZINC001601171592 1017819657 /nfs/dbraw/zinc/81/96/57/1017819657.db2.gz FRZAHFZDKWHUFB-SECBINFHSA-N -1 0 309.313 -0.786 20 0 DBADRM NC(=S)c1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC001601174205 1017820173 /nfs/dbraw/zinc/82/01/73/1017820173.db2.gz UMHLUYBMVGIFNB-SNVBAGLBSA-N -1 0 321.358 -0.264 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)S1 ZINC001601178438 1017820428 /nfs/dbraw/zinc/82/04/28/1017820428.db2.gz NULAENOVWMFCKJ-CBAPKCEASA-N -1 0 315.351 -0.773 20 0 DBADRM NC(=O)c1nnn(CCOc2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC001601173342 1017820708 /nfs/dbraw/zinc/82/07/08/1017820708.db2.gz JNNYHLLCUOWTBR-ZZXKWVIFSA-N -1 0 303.278 -0.051 20 0 DBADRM NCC(F)(F)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001601181279 1017821245 /nfs/dbraw/zinc/82/12/45/1017821245.db2.gz APULQRDFDWRUHG-UHFFFAOYSA-N -1 0 315.276 -0.038 20 0 DBADRM NS(=O)(=O)C1(C(=O)NCc2ccc(C(=O)[O-])s2)CC1 ZINC001601192511 1017822360 /nfs/dbraw/zinc/82/23/60/1017822360.db2.gz OCFPAAWWAFVPSL-UHFFFAOYSA-N -1 0 304.349 -0.116 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)NC[C@@H](CC(=O)[O-])C2CC2)CC1 ZINC001601192304 1017822373 /nfs/dbraw/zinc/82/23/73/1017822373.db2.gz JUIHZYYWUGJUCS-SECBINFHSA-N -1 0 319.383 -0.392 20 0 DBADRM NS(=O)(=O)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CC1 ZINC001601191968 1017822664 /nfs/dbraw/zinc/82/26/64/1017822664.db2.gz FENKNXPUBCJDAV-BGZDPUMWSA-N -1 0 302.352 -0.577 20 0 DBADRM NS(=O)(=O)CCCC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001601192735 1017823016 /nfs/dbraw/zinc/82/30/16/1017823016.db2.gz ANWZYJHGMPYNJZ-CABZTGNLSA-N -1 0 304.368 -0.232 20 0 DBADRM NS(=O)(=O)CCNC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001601194231 1017823264 /nfs/dbraw/zinc/82/32/64/1017823264.db2.gz XZUDTAYVMKTFEE-GXFFZTMASA-N -1 0 312.347 -0.350 20 0 DBADRM NS(=O)(=O)CCCS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001601194236 1017823328 /nfs/dbraw/zinc/82/33/28/1017823328.db2.gz YGQOFCGKZPYZNR-UHFFFAOYSA-N -1 0 321.376 -0.022 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001601193390 1017823595 /nfs/dbraw/zinc/82/35/95/1017823595.db2.gz YCNSPNDPRKVTMF-VIFPVBQESA-N -1 0 308.356 -0.853 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC001601192931 1017823618 /nfs/dbraw/zinc/82/36/18/1017823618.db2.gz YEYWQHFNHBSTKT-RQOWECAXSA-N -1 0 314.319 -0.072 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001601193099 1017823635 /nfs/dbraw/zinc/82/36/35/1017823635.db2.gz LNSUWBOTDSUPJN-KOLCDFICSA-N -1 0 322.383 -0.728 20 0 DBADRM NS(=O)(=O)CCCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001601193170 1017823638 /nfs/dbraw/zinc/82/36/38/1017823638.db2.gz OLYHTHITODIXCG-JOYOIKCWSA-N -1 0 320.367 -0.995 20 0 DBADRM NS(=O)(=O)CC1CCN(c2nccnc2C(=O)[O-])CC1 ZINC001601192990 1017823656 /nfs/dbraw/zinc/82/36/56/1017823656.db2.gz INDUPSWVYQQAOA-UHFFFAOYSA-N -1 0 300.340 -0.320 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC001601192915 1017823813 /nfs/dbraw/zinc/82/38/13/1017823813.db2.gz XYPVEGFHGOFSET-LLVKDONJSA-N -1 0 312.347 -0.183 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC001601194834 1017824378 /nfs/dbraw/zinc/82/43/78/1017824378.db2.gz YRLRQYWZQWCXFY-SECBINFHSA-N -1 0 314.367 -0.325 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])co1 ZINC001601195563 1017824502 /nfs/dbraw/zinc/82/45/02/1017824502.db2.gz BPKWSCZMTUKRON-SFYZADRCSA-N -1 0 302.308 -0.090 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)ccn1 ZINC001601196004 1017824826 /nfs/dbraw/zinc/82/48/26/1017824826.db2.gz KMKGTZIZKQFQPV-SECBINFHSA-N -1 0 311.319 -0.368 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)co1 ZINC001601196314 1017824894 /nfs/dbraw/zinc/82/48/94/1017824894.db2.gz XTEOULVQIOXASE-SNVBAGLBSA-N -1 0 306.271 -0.434 20 0 DBADRM NS(=O)(=O)NC1CCN(Cc2occc2C(=O)[O-])CC1 ZINC001601195566 1017825339 /nfs/dbraw/zinc/82/53/39/1017825339.db2.gz VOIISTUHQRBULQ-UHFFFAOYSA-N -1 0 303.340 -0.265 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCSC[C@H]2C(=O)[O-])o1 ZINC001601196578 1017825365 /nfs/dbraw/zinc/82/53/65/1017825365.db2.gz ASNIKYYBRYLYOR-LURJTMIESA-N -1 0 320.348 -0.431 20 0 DBADRM NS(=O)(=O)c1ccc(CN2CCC[C@H](O)[C@H]2C(=O)[O-])o1 ZINC001601197867 1017825795 /nfs/dbraw/zinc/82/57/95/1017825795.db2.gz AZNNZUGIINXLSP-WPRPVWTQSA-N -1 0 304.324 -0.663 20 0 DBADRM NS(=O)(=O)c1ccc(CN2CCOC[C@H]2C(=O)[O-])c(F)c1 ZINC001601198387 1017826241 /nfs/dbraw/zinc/82/62/41/1017826241.db2.gz PCIFSRZGCSJUJW-NSHDSACASA-N -1 0 318.326 -0.242 20 0 DBADRM NS(=O)(=O)c1sccc1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001601200870 1017826325 /nfs/dbraw/zinc/82/63/25/1017826325.db2.gz MFCWZXJNRZKQQU-SNVBAGLBSA-N -1 0 320.348 -0.943 20 0 DBADRM Nc1cccc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001601217098 1017826714 /nfs/dbraw/zinc/82/67/14/1017826714.db2.gz DAMPMDSBPHWSBJ-WCBMZHEXSA-N -1 0 300.336 -0.275 20 0 DBADRM Nc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c(F)c1 ZINC001601216866 1017826806 /nfs/dbraw/zinc/82/68/06/1017826806.db2.gz UEZNGVFAJRNOFJ-VXNVDRBHSA-N -1 0 304.299 -0.384 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001601207292 1017826838 /nfs/dbraw/zinc/82/68/38/1017826838.db2.gz YGTYHOXSIBAOGD-IYQDAUBNSA-N -1 0 308.294 -0.203 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001601207036 1017827232 /nfs/dbraw/zinc/82/72/32/1017827232.db2.gz NMCURJLMBYLDBW-NKWVEPMBSA-N -1 0 308.294 -0.347 20 0 DBADRM Nc1c(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)cnn1-c1ccccn1 ZINC001601206730 1017827401 /nfs/dbraw/zinc/82/74/01/1017827401.db2.gz CGDHMWHQXNOHQR-AWEZNQCLSA-N -1 0 317.305 -0.489 20 0 DBADRM Nc1ncn(CC(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)n1 ZINC001601222042 1017827829 /nfs/dbraw/zinc/82/78/29/1017827829.db2.gz IPZXCSYZWCDZOB-LBPRGKRZSA-N -1 0 317.305 -0.263 20 0 DBADRM Nc1nnc(C2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)CC2)o1 ZINC001601222810 1017827862 /nfs/dbraw/zinc/82/78/62/1017827862.db2.gz OUQHLNUJUQWSJB-BDAKNGLRSA-N -1 0 310.310 -0.010 20 0 DBADRM Nc1nccnc1C(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001601222014 1017827925 /nfs/dbraw/zinc/82/79/25/1017827925.db2.gz HEBOTIVGFPPIIU-QMMMGPOBSA-N -1 0 308.294 -0.319 20 0 DBADRM Nc1ncnc2cc(C(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])ccc12 ZINC001601222993 1017828230 /nfs/dbraw/zinc/82/82/30/1017828230.db2.gz RRRQZPOGRQVWFT-LDYMZIIASA-N -1 0 302.290 -0.128 20 0 DBADRM Nc1ncccc1CNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001601221994 1017828342 /nfs/dbraw/zinc/82/83/42/1017828342.db2.gz WGDFOVGSNWFJOG-UHFFFAOYSA-N -1 0 305.298 -0.547 20 0 DBADRM Nc1ncn(CC(=O)N2CCC(C(=O)[O-])CC2)c(=O)c1Cl ZINC001601222259 1017828472 /nfs/dbraw/zinc/82/84/72/1017828472.db2.gz OVVPLEGGZGAKRP-UHFFFAOYSA-N -1 0 314.729 -0.198 20 0 DBADRM Nc1ncn(CC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)n1 ZINC001601222438 1017828607 /nfs/dbraw/zinc/82/86/07/1017828607.db2.gz YOSKAGZJGIHBEG-SECBINFHSA-N -1 0 307.232 -0.274 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C(=O)N3CCOCC3)C[C@H]1CCCC2 ZINC001601223268 1017828641 /nfs/dbraw/zinc/82/86/41/1017828641.db2.gz HPWAXBYNBYPHAO-IAQYHMDHSA-N -1 0 310.350 -0.051 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N2CC[C@@H](c3ccccc3)C2)C1 ZINC001601226079 1017829072 /nfs/dbraw/zinc/82/90/72/1017829072.db2.gz WFALZEIPBKBKRT-GFCCVEGCSA-N -1 0 318.329 -0.340 20 0 DBADRM Nc1nnn(CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)n1 ZINC001601224598 1017829156 /nfs/dbraw/zinc/82/91/56/1017829156.db2.gz PIUFRLPKAGWZQJ-UTLUCORTSA-N -1 0 308.342 -0.253 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)/C=C\CN2CCOCC2)C1(F)F ZINC001601230317 1017829358 /nfs/dbraw/zinc/82/93/58/1017829358.db2.gz ADMMVYKUQOTXGU-GIVIPLFCSA-N -1 0 304.293 -0.043 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(=O)N1C[C@@H]3COC[C@@H]3C1)C2 ZINC001601225841 1017829386 /nfs/dbraw/zinc/82/93/86/1017829386.db2.gz ZXVMYYYXGJJWJV-BUWBCJGYSA-N -1 0 322.361 -0.196 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)C1 ZINC001601227487 1017829639 /nfs/dbraw/zinc/82/96/39/1017829639.db2.gz SAIVUINQTONVAB-ZANVPECISA-N -1 0 317.363 -0.751 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)C1 ZINC001601227670 1017829727 /nfs/dbraw/zinc/82/97/27/1017829727.db2.gz VFTCQOHTKYRXMC-SECBINFHSA-N -1 0 322.292 -0.164 20 0 DBADRM O=C(/C=C/COC1CCOCC1)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001601232828 1017830296 /nfs/dbraw/zinc/83/02/96/1017830296.db2.gz TZLOLFQIXMAQLV-ISUDXETCSA-N -1 0 324.337 -0.401 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)/C=C\c1ccc2c(c1)NC(=O)CO2 ZINC001601241281 1017830584 /nfs/dbraw/zinc/83/05/84/1017830584.db2.gz VTOPCNWOQGANJS-GQPNGRKGSA-N -1 0 306.274 -0.408 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)CCCn1ccccc1=O ZINC001601273947 1017831245 /nfs/dbraw/zinc/83/12/45/1017831245.db2.gz CUQCLHHXIBERIO-NSHDSACASA-N -1 0 324.333 -0.039 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)CCCNC(=O)C1CC1 ZINC001601267940 1017831320 /nfs/dbraw/zinc/83/13/20/1017831320.db2.gz JAXKRKIBDDWEBF-LLVKDONJSA-N -1 0 308.338 -0.241 20 0 DBADRM O=C([O-])c1cc(CNC(=O)CC[C@@H]2NC(=O)NC2=O)ccn1 ZINC001601264986 1017831358 /nfs/dbraw/zinc/83/13/58/1017831358.db2.gz PXFYPUUHKXLREM-QMMMGPOBSA-N -1 0 306.278 -0.616 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001601274940 1017831374 /nfs/dbraw/zinc/83/13/74/1017831374.db2.gz INNZCSAMRMXROR-YTWAJWBKSA-N -1 0 316.379 -0.363 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001601268090 1017831453 /nfs/dbraw/zinc/83/14/53/1017831453.db2.gz RFDQNUKTSSXVMC-LURJTMIESA-N -1 0 307.253 -0.457 20 0 DBADRM O=C(CCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)NC1CC1 ZINC001601268109 1017831560 /nfs/dbraw/zinc/83/15/60/1017831560.db2.gz SBTZSKJWKARDLD-VIFPVBQESA-N -1 0 311.338 -0.906 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001601267809 1017831666 /nfs/dbraw/zinc/83/16/66/1017831666.db2.gz BSHZONABZNOJFD-ZDUSSCGKSA-N -1 0 314.363 -0.008 20 0 DBADRM O=C([O-])c1cnc(CNC(=O)CC[C@@H]2NC(=O)NC2=O)s1 ZINC001601264390 1017831679 /nfs/dbraw/zinc/83/16/79/1017831679.db2.gz IJKIMRYCUXFYIZ-YFKPBYRVSA-N -1 0 312.307 -0.554 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001601257892 1017831711 /nfs/dbraw/zinc/83/17/11/1017831711.db2.gz RATJWXAOBBOZMG-MRVPVSSYSA-N -1 0 319.335 -0.912 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)NC2CC(CO)(CO)C2)n1 ZINC001601272826 1017831940 /nfs/dbraw/zinc/83/19/40/1017831940.db2.gz VVZIUTDSFVWBAX-UHFFFAOYSA-N -1 0 311.338 -0.389 20 0 DBADRM O=C(CCOCC1CC1)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001601280913 1017832205 /nfs/dbraw/zinc/83/22/05/1017832205.db2.gz OLMDFAKQIBAQGT-NWDGAFQWSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)CCN1CCOCC1 ZINC001601277235 1017832242 /nfs/dbraw/zinc/83/22/42/1017832242.db2.gz YUBUMRRJEHIJSI-ZDUSSCGKSA-N -1 0 307.350 -0.084 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)CCc2ccon2)C1 ZINC001601293283 1017832284 /nfs/dbraw/zinc/83/22/84/1017832284.db2.gz ZXCQTEYPZARFLV-NWDGAFQWSA-N -1 0 321.333 -0.098 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)CCc1cn[nH]n1 ZINC001601286692 1017832364 /nfs/dbraw/zinc/83/23/64/1017832364.db2.gz JXBDDTSMZWVOEL-OVVPUXAQSA-N -1 0 321.337 -0.753 20 0 DBADRM O=C(CCN1CCOC1=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001601277103 1017832394 /nfs/dbraw/zinc/83/23/94/1017832394.db2.gz VQAKTYNIHKELNP-MRVPVSSYSA-N -1 0 302.283 -0.839 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNC(=O)CCc1cncnc1 ZINC001601293083 1017832536 /nfs/dbraw/zinc/83/25/36/1017832536.db2.gz BJUZUHFFUAHXBY-GHMZBOCLSA-N -1 0 306.322 -0.638 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N[C@]2(CCO)CCOC2)C1 ZINC001601283599 1017832822 /nfs/dbraw/zinc/83/28/22/1017832822.db2.gz HNVMRSGFQRJZEE-MISXGVKJSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C(CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CC1)NC1CC1 ZINC001601301638 1017833411 /nfs/dbraw/zinc/83/34/11/1017833411.db2.gz UOXCXOMOASHRRH-NEPJUHHUSA-N -1 0 309.366 -0.434 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)CCn2cncn2)CC1 ZINC001601300005 1017833918 /nfs/dbraw/zinc/83/39/18/1017833918.db2.gz BIZVBALMWGLJSJ-NXEZZACHSA-N -1 0 321.337 -0.846 20 0 DBADRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)CN1CCC(CO)CC1 ZINC001601306315 1017834622 /nfs/dbraw/zinc/83/46/22/1017834622.db2.gz YVFPZIJSSGHEQD-CHWSQXEVSA-N -1 0 314.382 -0.171 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001601302057 1017834633 /nfs/dbraw/zinc/83/46/33/1017834633.db2.gz YDOVTFTVOFRDDV-MIZYBKAJSA-N -1 0 322.317 -0.704 20 0 DBADRM O=C([O-])[C@H]1CCS(=O)(=O)N1CC(=O)NCC(F)(F)F ZINC001601303106 1017834684 /nfs/dbraw/zinc/83/46/84/1017834684.db2.gz JMSMDTHNCSYAEX-RXMQYKEDSA-N -1 0 304.246 -0.846 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CN2C(=O)COc3ccccc32)C1 ZINC001601302272 1017834712 /nfs/dbraw/zinc/83/47/12/1017834712.db2.gz GKDQLIPAYFVGPC-UHFFFAOYSA-N -1 0 306.274 -0.930 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)CN1CCC(CO)CC1 ZINC001601306316 1017834968 /nfs/dbraw/zinc/83/49/68/1017834968.db2.gz YVFPZIJSSGHEQD-OLZOCXBDSA-N -1 0 314.382 -0.171 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)CN2CCC(CO)CC2)CCOC1 ZINC001601305083 1017835292 /nfs/dbraw/zinc/83/52/92/1017835292.db2.gz JHFUSPMMXDMFKU-AWEZNQCLSA-N -1 0 300.355 -0.702 20 0 DBADRM O=C([O-])[C@]1(C(F)(F)F)CCN(CC(=O)N2CCNC2=O)C1 ZINC001601306607 1017835782 /nfs/dbraw/zinc/83/57/82/1017835782.db2.gz MZZIIMYFMFHFEO-JTQLQIEISA-N -1 0 309.244 -0.123 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NC[C@H]2CCC[C@@H](O)C2)C1=O ZINC001601309749 1017835839 /nfs/dbraw/zinc/83/58/39/1017835839.db2.gz DDYKYKHPGHFWDX-TUAOUCFPSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NCc2cccc(=O)[nH]2)C1=O ZINC001601310120 1017835846 /nfs/dbraw/zinc/83/58/46/1017835846.db2.gz IIHXTKMJWUTGQJ-JTQLQIEISA-N -1 0 307.306 -0.273 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(CC(=O)Nc3ccon3)C2)nn1 ZINC001601307631 1017836131 /nfs/dbraw/zinc/83/61/31/1017836131.db2.gz CWUIWXPXLBQBSD-QMMMGPOBSA-N -1 0 306.282 -0.150 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(CC(=O)NCC(=O)c2ccccc2)C1 ZINC001601307087 1017836278 /nfs/dbraw/zinc/83/62/78/1017836278.db2.gz VSSNVDHDPADGLA-QWHCGFSZSA-N -1 0 320.345 -0.247 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1 ZINC001601312645 1017837064 /nfs/dbraw/zinc/83/70/64/1017837064.db2.gz PYYHSGKXXKXPGB-QCNOEVLYSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)CN2CCCC2=O)n1 ZINC001601312079 1017837492 /nfs/dbraw/zinc/83/74/92/1017837492.db2.gz CSHRCCQPFVABCY-UHFFFAOYSA-N -1 0 321.337 -0.863 20 0 DBADRM O=C([O-])c1cnoc1COC(=O)CN1CCCS1(=O)=O ZINC001601313657 1017837731 /nfs/dbraw/zinc/83/77/31/1017837731.db2.gz LWSAPIGTYGNVQQ-UHFFFAOYSA-N -1 0 304.280 -0.549 20 0 DBADRM O=C(CN1CCNC(=O)C1)NCCCCC1(C(=O)[O-])CCC1 ZINC001601316285 1017837954 /nfs/dbraw/zinc/83/79/54/1017837954.db2.gz DWNQENDXGZPXKT-UHFFFAOYSA-N -1 0 311.382 -0.040 20 0 DBADRM O=C([O-])c1ccc(N2CCN(CC(=O)NC3CC3)CC2)nn1 ZINC001601316027 1017838096 /nfs/dbraw/zinc/83/80/96/1017838096.db2.gz ORDQRQYGEDKVJN-UHFFFAOYSA-N -1 0 305.338 -0.425 20 0 DBADRM O=C([O-])c1nccnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001601316529 1017838380 /nfs/dbraw/zinc/83/83/80/1017838380.db2.gz NFZOLTNHORLEJF-UHFFFAOYSA-N -1 0 305.338 -0.425 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2C[C@@H]3C[C@H]2C[S@@]3=O)n1 ZINC001601318308 1017838606 /nfs/dbraw/zinc/83/86/06/1017838606.db2.gz UMANMPUQQUQIJE-SYLNSOGPSA-N -1 0 309.347 -0.077 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CNS(=O)(=O)c1ccccc1 ZINC001601326896 1017839074 /nfs/dbraw/zinc/83/90/74/1017839074.db2.gz DARDZHYGVZHDMZ-MWLCHTKSSA-N -1 0 312.347 -0.198 20 0 DBADRM O=C([O-])C1(C(=O)NCC(=O)N2CCOCC2)CC2(CCC2)C1 ZINC001601320253 1017839299 /nfs/dbraw/zinc/83/92/99/1017839299.db2.gz KAJHMJHMFXSKOO-UHFFFAOYSA-N -1 0 310.350 -0.004 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCC(=O)NCC(F)F ZINC001601321329 1017839405 /nfs/dbraw/zinc/83/94/05/1017839405.db2.gz ZEOVNYVTIZVOTM-HZGVNTEJSA-N -1 0 309.269 -0.843 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC001601321379 1017839852 /nfs/dbraw/zinc/83/98/52/1017839852.db2.gz VLMDZNQJAOFRSS-VIFPVBQESA-N -1 0 302.233 -0.744 20 0 DBADRM O=C([O-])[C@@]1(NCC(=O)N2CCC3(CC2)OCCO3)CCOC1 ZINC001601325010 1017839877 /nfs/dbraw/zinc/83/98/77/1017839877.db2.gz HXPUZRZQNLXQPB-CYBMUJFWSA-N -1 0 314.338 -0.815 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CNC(=O)Cc1ccc(O)cc1 ZINC001601321781 1017840030 /nfs/dbraw/zinc/84/00/30/1017840030.db2.gz RBJYWRASHNADEP-ZYHUDNBSSA-N -1 0 306.318 -0.112 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)NCC(=O)NC1CC1 ZINC001601320903 1017840091 /nfs/dbraw/zinc/84/00/91/1017840091.db2.gz JGQSLKPRNCHINN-VIFPVBQESA-N -1 0 321.337 -0.006 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCC(=O)N2CCCCC2)CC1 ZINC001601327443 1017840209 /nfs/dbraw/zinc/84/02/09/1017840209.db2.gz OBTZREQZDZKGHO-UHFFFAOYSA-N -1 0 304.368 -0.217 20 0 DBADRM O=C([O-])c1cccc(NC(=O)COC(=O)C2(O)CCOCC2)n1 ZINC001601330731 1017840769 /nfs/dbraw/zinc/84/07/69/1017840769.db2.gz BIWFOMVLFMTMJQ-UHFFFAOYSA-N -1 0 324.289 -0.197 20 0 DBADRM O=C([O-])c1ccc(OCCNC(=O)CCNC(=O)CO)cc1 ZINC001601330320 1017840819 /nfs/dbraw/zinc/84/08/19/1017840819.db2.gz RTCOZXWASWVHNY-UHFFFAOYSA-N -1 0 310.306 -0.622 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)Cc2ccc(F)cn2)C1 ZINC001601361798 1017841314 /nfs/dbraw/zinc/84/13/14/1017841314.db2.gz MHDLWZWJRLMHNY-NWDGAFQWSA-N -1 0 321.308 -0.189 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NCCn2cnccc2=O)cn1 ZINC001601358585 1017841330 /nfs/dbraw/zinc/84/13/30/1017841330.db2.gz UWUVJZHODMYSOF-UHFFFAOYSA-N -1 0 302.290 -0.305 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NCCCN2C(=O)CNC2=O)cc1 ZINC001601356490 1017841340 /nfs/dbraw/zinc/84/13/40/1017841340.db2.gz WKWWMEJLXRGYQU-UHFFFAOYSA-N -1 0 319.317 -0.015 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001601346316 1017841802 /nfs/dbraw/zinc/84/18/02/1017841802.db2.gz WCEBGVWHAUNMDZ-WCBMZHEXSA-N -1 0 305.352 -0.583 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC001601345945 1017841892 /nfs/dbraw/zinc/84/18/92/1017841892.db2.gz MTRKEDPHQMMSPV-GFCCVEGCSA-N -1 0 305.352 -0.608 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC001601343936 1017841943 /nfs/dbraw/zinc/84/19/43/1017841943.db2.gz DWZZRGXJDUYRNY-LBPRGKRZSA-N -1 0 322.317 -0.024 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)Cc1ccc(O)c(F)c1 ZINC001601361047 1017842257 /nfs/dbraw/zinc/84/22/57/1017842257.db2.gz GJIKPYHBEQSGKM-JTQLQIEISA-N -1 0 308.269 -0.065 20 0 DBADRM O=C(Cc1cnn(-c2ccccc2)n1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001601371796 1017842422 /nfs/dbraw/zinc/84/24/22/1017842422.db2.gz FFPVGCKPKQCAGE-JNSHFYNHSA-N -1 0 316.317 -0.096 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)Cc2cc[nH]n2)CC1 ZINC001601371070 1017842769 /nfs/dbraw/zinc/84/27/69/1017842769.db2.gz RPZKTLXGGHKFDX-VHSXEESVSA-N -1 0 306.322 -0.562 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)Cc2cccnc2)n1 ZINC001601369787 1017842776 /nfs/dbraw/zinc/84/27/76/1017842776.db2.gz JIPRTCCWJHLYNP-UHFFFAOYSA-N -1 0 301.306 -0.238 20 0 DBADRM O=C([O-])c1nccc(NC/C=C\CNC(=O)Cc2cnoc2)n1 ZINC001601373476 1017843635 /nfs/dbraw/zinc/84/36/35/1017843635.db2.gz BNSCSWBBLWJQRY-UPHRSURJSA-N -1 0 317.305 -0.088 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(NC(=O)Cc2ncc[nH]2)CCC1 ZINC001601376289 1017843656 /nfs/dbraw/zinc/84/36/56/1017843656.db2.gz PWHZLLLZUYXLMV-UWVGGRQHSA-N -1 0 320.349 -0.172 20 0 DBADRM O=C(Cc1csc(-c2nc[nH]n2)n1)N[C@@]1(C(=O)[O-])CCOC1 ZINC001601373462 1017843759 /nfs/dbraw/zinc/84/37/59/1017843759.db2.gz OHATZTTWFUFSTM-LBPRGKRZSA-N -1 0 323.334 -0.169 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NCCN2C(=O)CCCC2=O)c1 ZINC001601380073 1017843914 /nfs/dbraw/zinc/84/39/14/1017843914.db2.gz QTCNMNJJSMXNGX-UHFFFAOYSA-N -1 0 308.294 -0.763 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N[C@@H](CCO)C2CCOCC2)c1 ZINC001601380305 1017844352 /nfs/dbraw/zinc/84/43/52/1017844352.db2.gz ACFDBTCZTDNRCU-LBPRGKRZSA-N -1 0 311.338 -0.125 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)Cn1cc(-c2ccccc2)nn1 ZINC001601376086 1017844376 /nfs/dbraw/zinc/84/43/76/1017844376.db2.gz JZXRAQNMTJMHGD-LBPRGKRZSA-N -1 0 304.306 -0.103 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)Cc2nnc(C3CC3)[nH]2)nn1 ZINC001601375545 1017844454 /nfs/dbraw/zinc/84/44/54/1017844454.db2.gz PXZULFOMFMNPJY-UHFFFAOYSA-N -1 0 305.298 -0.669 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)n1 ZINC001601376182 1017844605 /nfs/dbraw/zinc/84/46/05/1017844605.db2.gz MGIIOZJQYMDIEP-MRVPVSSYSA-N -1 0 317.309 -0.770 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@@H]2Cc3cccc(O)c3C2)nn1 ZINC001601381927 1017844882 /nfs/dbraw/zinc/84/48/82/1017844882.db2.gz MTGVGXPPQSWTPH-SECBINFHSA-N -1 0 302.290 -0.035 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@@]2(C(F)(F)F)CCCN2)nn1 ZINC001601382697 1017845004 /nfs/dbraw/zinc/84/50/04/1017845004.db2.gz BQZYTYMBEGKCRM-SNVBAGLBSA-N -1 0 321.259 -0.223 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)n1 ZINC001601384968 1017845041 /nfs/dbraw/zinc/84/50/41/1017845041.db2.gz RXFPEAPUPOEPCJ-VIFPVBQESA-N -1 0 320.309 -0.133 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NC2CC(N3CCOCC3)C2)c1 ZINC001601381441 1017845183 /nfs/dbraw/zinc/84/51/83/1017845183.db2.gz WBVDPZISFBPCIJ-UHFFFAOYSA-N -1 0 308.338 -0.439 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCCc2nnc3n2CCCC3)n1 ZINC001601385236 1017845427 /nfs/dbraw/zinc/84/54/27/1017845427.db2.gz WDKYYHQASRAHLQ-UHFFFAOYSA-N -1 0 318.337 -0.132 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCCOC[C@H]2CCCO2)c1=O ZINC001601387577 1017845959 /nfs/dbraw/zinc/84/59/59/1017845959.db2.gz CKTINTSVMLRYKC-LLVKDONJSA-N -1 0 324.333 -0.142 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)c1=O ZINC001601386359 1017846195 /nfs/dbraw/zinc/84/61/95/1017846195.db2.gz CUVMJLRICZICIV-WLLOZRIZSA-N -1 0 324.333 -0.673 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)Cn1cccc(C(F)(F)F)c1=O ZINC001601387738 1017846250 /nfs/dbraw/zinc/84/62/50/1017846250.db2.gz CUAALXFQCQYRPW-ZETCQYMHSA-N -1 0 308.212 -0.571 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCCNC(=O)C2CC2)c1=O ZINC001601388054 1017846353 /nfs/dbraw/zinc/84/63/53/1017846353.db2.gz IWRNOCRLUBJPJW-UHFFFAOYSA-N -1 0 307.306 -0.811 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)Cn2cncn2)CCC1 ZINC001601389746 1017846358 /nfs/dbraw/zinc/84/63/58/1017846358.db2.gz SNDKIMGQXSNHOF-ZJUUUORDSA-N -1 0 321.337 -0.846 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)Cn3cncn3)C2)n1 ZINC001601389824 1017846504 /nfs/dbraw/zinc/84/65/04/1017846504.db2.gz WHINNVQSGWMAJQ-VIFPVBQESA-N -1 0 317.309 -0.839 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCC(=O)N2CCCC2)c1=O ZINC001601386897 1017846610 /nfs/dbraw/zinc/84/66/10/1017846610.db2.gz QKDBZXGHRLCEGA-UHFFFAOYSA-N -1 0 307.306 -0.715 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCCCN2CCCC2=O)c1=O ZINC001601389049 1017846760 /nfs/dbraw/zinc/84/67/60/1017846760.db2.gz YONCVLCRKJAECT-UHFFFAOYSA-N -1 0 321.333 -0.325 20 0 DBADRM O=C([O-])C1(NC(=O)Cn2nnc3ccccc32)CC(CO)C1 ZINC001601392452 1017846846 /nfs/dbraw/zinc/84/68/46/1017846846.db2.gz QJERWLJQWAOQMH-UHFFFAOYSA-N -1 0 304.306 -0.227 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001601391768 1017847210 /nfs/dbraw/zinc/84/72/10/1017847210.db2.gz RQVUKXKOMWBLAV-BDAKNGLRSA-N -1 0 305.294 -0.740 20 0 DBADRM O=C(Cn1nnc2c1CCCC2)NC[C@]1(C(=O)[O-])CCOC1 ZINC001601392209 1017847230 /nfs/dbraw/zinc/84/72/30/1017847230.db2.gz HWGRPMVNBZFQII-CQSZACIVSA-N -1 0 308.338 -0.236 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001601391462 1017847353 /nfs/dbraw/zinc/84/73/53/1017847353.db2.gz MRLYCWPLXIVSKK-UHFFFAOYSA-N -1 0 320.309 -0.169 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)Cn1nc2ccccn2c1=O ZINC001601390294 1017847367 /nfs/dbraw/zinc/84/73/67/1017847367.db2.gz AYOAOXGOTLNDMV-UHFFFAOYSA-N -1 0 302.250 -0.444 20 0 DBADRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001601408532 1017847487 /nfs/dbraw/zinc/84/74/87/1017847487.db2.gz IEGSAZPZZDCBRX-GARJFASQSA-N -1 0 308.338 -0.021 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)C1CCS(=O)(=O)CC1 ZINC001601408783 1017847510 /nfs/dbraw/zinc/84/75/10/1017847510.db2.gz KYDJHKPMGOQBJN-MNOVXSKESA-N -1 0 319.379 -0.050 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1nc2n(n1)CCCN2 ZINC001601424097 1017847702 /nfs/dbraw/zinc/84/77/02/1017847702.db2.gz OJMFMLXAPPBQDR-SNVBAGLBSA-N -1 0 316.321 -0.828 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1cc(C(F)F)ncn1 ZINC001601427860 1017847928 /nfs/dbraw/zinc/84/79/28/1017847928.db2.gz FMFXVUXWTJFENL-QMMMGPOBSA-N -1 0 312.236 -0.111 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1O)NC(=O)C1CS(=O)(=O)C1 ZINC001601424681 1017847984 /nfs/dbraw/zinc/84/79/84/1017847984.db2.gz YGXLVDMNPLASFI-SNVBAGLBSA-N -1 0 313.331 -0.451 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001601426199 1017848111 /nfs/dbraw/zinc/84/81/11/1017848111.db2.gz UQUWGXBHOKRWNB-DTWKUNHWSA-N -1 0 320.309 -0.988 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cncnc1C1CC1 ZINC001601429221 1017848227 /nfs/dbraw/zinc/84/82/27/1017848227.db2.gz RDXQZVHZSCSTLI-SNVBAGLBSA-N -1 0 302.294 -0.171 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1ncc2c(F)cccn21 ZINC001601429775 1017848330 /nfs/dbraw/zinc/84/83/30/1017848330.db2.gz VDGYRQSWLMMFET-VIFPVBQESA-N -1 0 318.268 -0.052 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cc(C(F)F)ncn1 ZINC001601427859 1017848598 /nfs/dbraw/zinc/84/85/98/1017848598.db2.gz FMFXVUXWTJFENL-MRVPVSSYSA-N -1 0 312.236 -0.111 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001601428322 1017848691 /nfs/dbraw/zinc/84/86/91/1017848691.db2.gz JDCCPCWYNCVROG-MWLCHTKSSA-N -1 0 304.310 -0.693 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)CCOC1 ZINC001601430912 1017848849 /nfs/dbraw/zinc/84/88/49/1017848849.db2.gz RPPGQAPNDQLXQB-TVQRCGJNSA-N -1 0 317.363 -0.439 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)c2ccnnc2)CC1 ZINC001601433225 1017849277 /nfs/dbraw/zinc/84/92/77/1017849277.db2.gz YSGVDGFTBGFZMO-VHSXEESVSA-N -1 0 304.306 -0.424 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)nn1 ZINC001601434980 1017849302 /nfs/dbraw/zinc/84/93/02/1017849302.db2.gz XYXOMTFSTLDVDR-VIFPVBQESA-N -1 0 322.325 -0.961 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2nnc[nH]2)CC1 ZINC001601439774 1017849311 /nfs/dbraw/zinc/84/93/11/1017849311.db2.gz DHYHFISJPLWDAE-IUCAKERBSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC2CC3(CC3(F)F)C2)CCO1 ZINC001601435544 1017849381 /nfs/dbraw/zinc/84/93/81/1017849381.db2.gz CDYMILAOBKWPLU-XIGTVVQJSA-N -1 0 318.276 -0.398 20 0 DBADRM O=C([O-])c1ccoc1CN1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001601434086 1017849407 /nfs/dbraw/zinc/84/94/07/1017849407.db2.gz SIFVHWQATAGYCD-UHFFFAOYSA-N -1 0 321.333 -0.099 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)N2CC[C@](F)(CO)C2)CC1 ZINC001601435139 1017849425 /nfs/dbraw/zinc/84/94/25/1017849425.db2.gz APYDLWFYFRALJI-RPFQZYLTSA-N -1 0 316.329 -0.321 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)C1 ZINC001601440442 1017849527 /nfs/dbraw/zinc/84/95/27/1017849527.db2.gz PZBRTMUWXAKBGX-KXNHARMFSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC001601434704 1017849669 /nfs/dbraw/zinc/84/96/69/1017849669.db2.gz WIPIUQFJCRJCHA-SNVBAGLBSA-N -1 0 319.317 -0.367 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC001601436857 1017849776 /nfs/dbraw/zinc/84/97/76/1017849776.db2.gz IALUJGNXYNHUEX-LMLFDSFASA-N -1 0 323.349 -0.765 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2nnc[nH]2)CC1 ZINC001601439772 1017849807 /nfs/dbraw/zinc/84/98/07/1017849807.db2.gz DHYHFISJPLWDAE-DTWKUNHWSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C([O-])C1CC(NC(=O)c2cc(N3CCOCC3)ncn2)C1 ZINC001601434301 1017849829 /nfs/dbraw/zinc/84/98/29/1017849829.db2.gz LFEHXWDVLXNZMU-UHFFFAOYSA-N -1 0 306.322 -0.094 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001601444925 1017850157 /nfs/dbraw/zinc/85/01/57/1017850157.db2.gz VOTCYSLLIPABRK-COMAGPEQSA-N -1 0 317.363 -0.440 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2cccc(=O)[nH]2)C1 ZINC001601447688 1017850377 /nfs/dbraw/zinc/85/03/77/1017850377.db2.gz IZCUOHOHABDHBQ-DTWKUNHWSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2ccncc2F)C1 ZINC001601447842 1017850430 /nfs/dbraw/zinc/85/04/30/1017850430.db2.gz KNEHYCLHZANFQX-ZJUUUORDSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CCCNC1=O ZINC001601441709 1017850571 /nfs/dbraw/zinc/85/05/71/1017850571.db2.gz VLKZLXCTDXKGGX-BDAKNGLRSA-N -1 0 321.337 -0.006 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)c3cccnn3)C2)n1 ZINC001601443061 1017850612 /nfs/dbraw/zinc/85/06/12/1017850612.db2.gz DEVQJZRPVIWANP-SECBINFHSA-N -1 0 314.305 -0.027 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)CNC(=O)c2cccnc2)C1 ZINC001601446404 1017850660 /nfs/dbraw/zinc/85/06/60/1017850660.db2.gz MOPDGBZWUCSNSW-GHMZBOCLSA-N -1 0 307.306 -0.895 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)CNC(=O)NC2CCCCC2)C1 ZINC001601447202 1017850762 /nfs/dbraw/zinc/85/07/62/1017850762.db2.gz WTCLVBPGAPKFJQ-CQSZACIVSA-N -1 0 313.354 -0.334 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)C2=COCCC2)n1 ZINC001601462074 1017851223 /nfs/dbraw/zinc/85/12/23/1017851223.db2.gz OYXJRXIEFCNIQM-JTQLQIEISA-N -1 0 322.321 -0.820 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC001601449035 1017851262 /nfs/dbraw/zinc/85/12/62/1017851262.db2.gz UGIPAHKWZSDIBF-NXEZZACHSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)c1ccc2n[nH]c(=O)n2c1)[C@@H]1CCOC1 ZINC001601453153 1017851439 /nfs/dbraw/zinc/85/14/39/1017851439.db2.gz IBAIZAAKDWZECU-ZJUUUORDSA-N -1 0 320.305 -0.098 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CCc2nncn2C1)[C@H]1CCOC1 ZINC001601451164 1017851646 /nfs/dbraw/zinc/85/16/46/1017851646.db2.gz DFHNSEMFLJYFLB-DCAQKATOSA-N -1 0 308.338 -0.306 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)C2=COCCC2)n1 ZINC001601462076 1017851774 /nfs/dbraw/zinc/85/17/74/1017851774.db2.gz OYXJRXIEFCNIQM-SNVBAGLBSA-N -1 0 322.321 -0.820 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2cnn3cc[nH]c23)C1 ZINC001601448690 1017851868 /nfs/dbraw/zinc/85/18/68/1017851868.db2.gz RRCTUVBFSSTNMH-DTWKUNHWSA-N -1 0 317.305 -0.676 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@@H]2CCCS(=O)(=O)C2)CCOCC1 ZINC001601472530 1017852216 /nfs/dbraw/zinc/85/22/16/1017852216.db2.gz DYPRLSRONCFBSD-SNVBAGLBSA-N -1 0 319.379 -0.191 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2ncc[nH]2)CCC1 ZINC001601475457 1017852299 /nfs/dbraw/zinc/85/22/99/1017852299.db2.gz CZVXSGNBBSXMND-DTWKUNHWSA-N -1 0 306.322 -0.101 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)[C@@H]2CCc3nnnn3CC2)CCOC1 ZINC001601471890 1017852363 /nfs/dbraw/zinc/85/23/63/1017852363.db2.gz AIUPQMGKGLXGOC-RNCFNFMXSA-N -1 0 309.326 -0.767 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCC2(C3CC3)CCC2)C1 ZINC001601474701 1017852560 /nfs/dbraw/zinc/85/25/60/1017852560.db2.gz JDHPZUYRVSDACL-PWSUYJOCSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ccc(=O)[nH]c2)CC1 ZINC001601476511 1017852608 /nfs/dbraw/zinc/85/26/08/1017852608.db2.gz UFHGDYLCOFEUJF-ZJUUUORDSA-N -1 0 319.317 -0.114 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCC1(CNC(=O)c2nnc[nH]2)CC1 ZINC001601475059 1017852764 /nfs/dbraw/zinc/85/27/64/1017852764.db2.gz ZYIQEVBIQGXMRJ-DTWKUNHWSA-N -1 0 321.337 -0.458 20 0 DBADRM O=C([O-])c1nc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)cs1 ZINC001601475648 1017852873 /nfs/dbraw/zinc/85/28/73/1017852873.db2.gz SXVKKPWABRQKGX-SNVBAGLBSA-N -1 0 320.348 -0.879 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)c2cnccn2)CC1 ZINC001601476198 1017852961 /nfs/dbraw/zinc/85/29/61/1017852961.db2.gz MRQSNLNSCDPPPD-BDAKNGLRSA-N -1 0 304.306 -0.424 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2ncc[nH]2)CCC1 ZINC001601475458 1017853015 /nfs/dbraw/zinc/85/30/15/1017853015.db2.gz CZVXSGNBBSXMND-IUCAKERBSA-N -1 0 306.322 -0.101 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001601485682 1017853327 /nfs/dbraw/zinc/85/33/27/1017853327.db2.gz JSXWXEDUHUTYMD-MOLYVOAJSA-N -1 0 324.377 -0.167 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]1CCCO1)C2 ZINC001601484454 1017853430 /nfs/dbraw/zinc/85/34/30/1017853430.db2.gz QFBCSEATQZCRCQ-PGUXBMHVSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@H]1CC[C@H](C2CC2)O1 ZINC001601481183 1017853482 /nfs/dbraw/zinc/85/34/82/1017853482.db2.gz YYIMMCKUQKLEFK-KXUCPTDWSA-N -1 0 302.302 -0.401 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)C(=O)NC[C@@H]2CCCO2)C1 ZINC001601484005 1017853716 /nfs/dbraw/zinc/85/37/16/1017853716.db2.gz MCXXPSWSRAGJPE-ZJUUUORDSA-N -1 0 316.379 -0.442 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001601479051 1017853828 /nfs/dbraw/zinc/85/38/28/1017853828.db2.gz OKMLQHYHIYJOAA-KATARQTJSA-N -1 0 302.302 -0.401 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2ccncc2)C1 ZINC001601487773 1017853887 /nfs/dbraw/zinc/85/38/87/1017853887.db2.gz ITTAHYJQDJKMPO-VXGBXAGGSA-N -1 0 303.318 -0.010 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2ncccc2O)C1 ZINC001601488688 1017854280 /nfs/dbraw/zinc/85/42/80/1017854280.db2.gz UHHACNVXCOZHRA-VHSXEESVSA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001601489919 1017854451 /nfs/dbraw/zinc/85/44/51/1017854451.db2.gz VGVFKRDWNBRRRJ-PZWNZHSQSA-N -1 0 314.338 -0.421 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCCC1(O)CCOCC1 ZINC001601489542 1017854782 /nfs/dbraw/zinc/85/47/82/1017854782.db2.gz HSEWFFIOMDUZPL-GHMZBOCLSA-N -1 0 316.354 -0.293 20 0 DBADRM O=C([O-])c1nccc(NCC=CCNC(=O)c2cocn2)n1 ZINC001601491987 1017854965 /nfs/dbraw/zinc/85/49/65/1017854965.db2.gz OHSBVKYBUADXEZ-OWOJBTEDSA-N -1 0 303.278 -0.017 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2ccnnc2)C1 ZINC001601488560 1017855040 /nfs/dbraw/zinc/85/50/40/1017855040.db2.gz SQRGOOFZDQGCBO-MNOVXSKESA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)NCC[C@H]1CCOC1)C2 ZINC001601493328 1017855179 /nfs/dbraw/zinc/85/51/79/1017855179.db2.gz SORNYKMOQWRNDK-DDIVZENXSA-N -1 0 310.350 -0.101 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCCN1CCOCC1 ZINC001601502370 1017855630 /nfs/dbraw/zinc/85/56/30/1017855630.db2.gz NNZJRHAFFUNZBH-GHMZBOCLSA-N -1 0 301.343 -0.893 20 0 DBADRM O=C(NCCCNc1ccccn1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601499315 1017855648 /nfs/dbraw/zinc/85/56/48/1017855648.db2.gz KJOOWMVFCRUSLW-PHIMTYICSA-N -1 0 320.349 -0.021 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)c2ccc(=O)[nH]c2)n1 ZINC001601499374 1017856367 /nfs/dbraw/zinc/85/63/67/1017856367.db2.gz GPWUIOYQTPJFIC-UHFFFAOYSA-N -1 0 317.305 -0.071 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCCO[C@H]1CCOC1 ZINC001601504056 1017856590 /nfs/dbraw/zinc/85/65/90/1017856590.db2.gz XOJRGZWGDVHOGY-OUAUKWLOSA-N -1 0 302.327 -0.419 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNC(=O)c1c[nH]nc1C1CC1 ZINC001601502935 1017856662 /nfs/dbraw/zinc/85/66/62/1017856662.db2.gz DRHWLDBUWSFIIO-BDAKNGLRSA-N -1 0 306.322 -0.146 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNC(=O)c1ccn(C(F)F)n1 ZINC001601503116 1017857248 /nfs/dbraw/zinc/85/72/48/1017857248.db2.gz HRYXBAJLHYITNZ-BQBZGAKWSA-N -1 0 316.264 -0.155 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNC(=O)C(=O)Nc1ccccc1 ZINC001601504652 1017857455 /nfs/dbraw/zinc/85/74/55/1017857455.db2.gz YKBZVYMYCXWCGE-MNOVXSKESA-N -1 0 319.317 -0.422 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)nn1 ZINC001601517109 1017857639 /nfs/dbraw/zinc/85/76/39/1017857639.db2.gz ASOSOSMCZBNSLM-MRVPVSSYSA-N -1 0 322.325 -0.961 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC001601508725 1017857843 /nfs/dbraw/zinc/85/78/43/1017857843.db2.gz SSNKNFRHRLNCSF-MNOVXSKESA-N -1 0 310.306 -0.185 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NCCc2ccc(F)cc2)C1 ZINC001601510899 1017857867 /nfs/dbraw/zinc/85/78/67/1017857867.db2.gz RVMTUTZOWHIWOG-UHFFFAOYSA-N -1 0 310.281 -0.858 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(C(=O)C(=O)NCCn1cccn1)CC2 ZINC001601517671 1017858040 /nfs/dbraw/zinc/85/80/40/1017858040.db2.gz GENGDLZTYHNLAK-NSHDSACASA-N -1 0 320.349 -0.287 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@@H]2CCc3n[nH]cc3C2)nn1 ZINC001601518401 1017858124 /nfs/dbraw/zinc/85/81/24/1017858124.db2.gz VBIZIZACADRVDC-SECBINFHSA-N -1 0 319.325 -0.444 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@H]2CCn3ccnc32)nn1 ZINC001601517458 1017858472 /nfs/dbraw/zinc/85/84/72/1017858472.db2.gz KDKDVCBXKFEAHT-QMMMGPOBSA-N -1 0 305.298 -0.383 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCC([C@H]2CCOC2)CC1 ZINC001601521502 1017858689 /nfs/dbraw/zinc/85/86/89/1017858689.db2.gz XSPKPXZTMRPXGW-QWRGUYRKSA-N -1 0 316.329 -0.200 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC001601521600 1017859247 /nfs/dbraw/zinc/85/92/47/1017859247.db2.gz ZJKZLGLHGPUSDU-GUBZILKMSA-N -1 0 302.302 -0.447 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC001601519912 1017859347 /nfs/dbraw/zinc/85/93/47/1017859347.db2.gz JCRSOQZJIKPVGS-KXUCPTDWSA-N -1 0 302.302 -0.401 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1cccn(CC(F)(F)F)c1=O ZINC001601523916 1017859661 /nfs/dbraw/zinc/85/96/61/1017859661.db2.gz SEICPSWAMICXGB-ZETCQYMHSA-N -1 0 308.212 -0.414 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCc2nncn2CC1 ZINC001601524072 1017859739 /nfs/dbraw/zinc/85/97/39/1017859739.db2.gz PHWIXZZAQHDLER-HOSYDEDBSA-N -1 0 308.338 -0.164 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@@H](CNC(=O)c3ccn[nH]3)C2)n1 ZINC001601525840 1017860039 /nfs/dbraw/zinc/86/00/39/1017860039.db2.gz XVXIVJPFHMWLJA-DTORHVGOSA-N -1 0 316.321 -0.060 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCC2(CC2)C1 ZINC001601523196 1017860118 /nfs/dbraw/zinc/86/01/18/1017860118.db2.gz XQIWPFVSJQOKAF-GHMZBOCLSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001601526664 1017860176 /nfs/dbraw/zinc/86/01/76/1017860176.db2.gz GHMQIWXIXLBUFX-DDHJBXDOSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001601525785 1017860344 /nfs/dbraw/zinc/86/03/44/1017860344.db2.gz TZGNTFFCHBJVKJ-ZDDJMSTPSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCO[C@H](CCF)C1 ZINC001601526842 1017860372 /nfs/dbraw/zinc/86/03/72/1017860372.db2.gz IAWWWTFXUIKAMX-OPRDCNLKSA-N -1 0 302.302 -0.590 20 0 DBADRM O=C([O-])c1cc(F)ccc1NC(=O)C(=O)NCc1cn[nH]n1 ZINC001601530582 1017860842 /nfs/dbraw/zinc/86/08/42/1017860842.db2.gz HPLJWDJNKWRHNI-UHFFFAOYSA-N -1 0 307.241 -0.103 20 0 DBADRM O=C([O-])c1cc(CNC(=O)c2cnn(C[C@H](O)CO)c2)ccn1 ZINC001601545543 1017860878 /nfs/dbraw/zinc/86/08/78/1017860878.db2.gz RALGJSXBVHIFMJ-NSHDSACASA-N -1 0 320.305 -0.741 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)NCc2nc(C3CC3)no2)CC1 ZINC001601549112 1017861126 /nfs/dbraw/zinc/86/11/26/1017861126.db2.gz KCJLDDZGKYMYKB-UHFFFAOYSA-N -1 0 322.321 -0.114 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCc2ccccc2)C1 ZINC001601542770 1017861292 /nfs/dbraw/zinc/86/12/92/1017861292.db2.gz QAMXEONZHSOTOM-NEPJUHHUSA-N -1 0 306.318 -0.403 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)c2cnn(C[C@H](O)CO)c2)o1 ZINC001601535965 1017861451 /nfs/dbraw/zinc/86/14/51/1017861451.db2.gz XACBIBQTRJLJBM-VIFPVBQESA-N -1 0 309.278 -0.543 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCc2cscn2)C1 ZINC001601548363 1017861481 /nfs/dbraw/zinc/86/14/81/1017861481.db2.gz BAENKAXJXYPRRK-VXNVDRBHSA-N -1 0 313.335 -0.947 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)C2CCOCC2)C1 ZINC001601573854 1017862054 /nfs/dbraw/zinc/86/20/54/1017862054.db2.gz MURPANDKBLPKSM-WHOHXGKFSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)C1 ZINC001601572645 1017862144 /nfs/dbraw/zinc/86/21/44/1017862144.db2.gz QHHBTKIFVPBQAT-FCMYFTRRSA-N -1 0 319.317 -0.063 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001601570603 1017862468 /nfs/dbraw/zinc/86/24/68/1017862468.db2.gz COCAOCKYZCYPNX-RQJHMYQMSA-N -1 0 304.253 -0.197 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCC[C@@H]1C1OCCO1 ZINC001601572668 1017862568 /nfs/dbraw/zinc/86/25/68/1017862568.db2.gz SDELWGSYQWJBGK-KXUCPTDWSA-N -1 0 312.322 -0.670 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N(CCO)CCN2CCOCC2)C1 ZINC001601572596 1017862631 /nfs/dbraw/zinc/86/26/31/1017862631.db2.gz LBKDZHRXKFROEB-TXEJJXNPSA-N -1 0 315.370 -0.814 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1ccnc(N2CCOCC2)n1 ZINC001601570447 1017862697 /nfs/dbraw/zinc/86/26/97/1017862697.db2.gz ZDXNELDPAHMGPE-GXSJLCMTSA-N -1 0 322.321 -0.715 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)C2CCOCC2)C1 ZINC001601573855 1017862761 /nfs/dbraw/zinc/86/27/61/1017862761.db2.gz MURPANDKBLPKSM-WRWGMCAJSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)N1CCC[C@@H](CO)C1)C2 ZINC001601573110 1017862916 /nfs/dbraw/zinc/86/29/16/1017862916.db2.gz ARXCUWWKZJXOOJ-OZWUEAAUSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC(O)(COCCO)CC2)C1 ZINC001601572073 1017862967 /nfs/dbraw/zinc/86/29/67/1017862967.db2.gz XGPHVBXMOKLLAI-PHIMTYICSA-N -1 0 316.354 -0.605 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)C3=COCCO3)C2)nc1 ZINC001601569746 1017862986 /nfs/dbraw/zinc/86/29/86/1017862986.db2.gz UKJMMBMIOKQPST-JTQLQIEISA-N -1 0 320.305 -0.242 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)c2nnc[nH]2)CC1 ZINC001601571003 1017862989 /nfs/dbraw/zinc/86/29/89/1017862989.db2.gz UTNRGPISKIKGNM-XKNYDFJKSA-N -1 0 321.337 -0.317 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ncccc2O)C1 ZINC001601574698 1017863120 /nfs/dbraw/zinc/86/31/20/1017863120.db2.gz YNHXMYKJPCHWNE-UTINFBMNSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2C[C@H](NC(=O)c3ccncn3)C2)n1 ZINC001601574400 1017863297 /nfs/dbraw/zinc/86/32/97/1017863297.db2.gz UIWLTFVEQLJQSU-DTORHVGOSA-N -1 0 314.305 -0.240 20 0 DBADRM O=C([O-])c1cc(Cl)cc(NC(=O)NC(CO)(CO)CO)c1 ZINC001601587547 1017863574 /nfs/dbraw/zinc/86/35/74/1017863574.db2.gz FBOXCHTWKMMYMG-UHFFFAOYSA-N -1 0 318.713 -0.125 20 0 DBADRM O=C([O-])c1ccc(NC(=O)NC2CCS(=O)(=O)CC2)nn1 ZINC001601601510 1017863638 /nfs/dbraw/zinc/86/36/38/1017863638.db2.gz ZTDQRPUQLCAMDS-UHFFFAOYSA-N -1 0 314.323 -0.127 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)c1cc(-n2cccn2)ccn1 ZINC001601579467 1017863745 /nfs/dbraw/zinc/86/37/45/1017863745.db2.gz WNQZYNGJHWPJRP-WJONMLJTSA-N -1 0 302.290 -0.025 20 0 DBADRM O=C([O-])c1cc2c(cc1NC(=O)C(=O)N1CC[C@@H](O)C1)OCO2 ZINC001601594825 1017863874 /nfs/dbraw/zinc/86/38/74/1017863874.db2.gz RGSQBRJYDFBSMC-SSDOTTSWSA-N -1 0 322.273 -0.355 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)Nc2cc(F)ccc2F)C1 ZINC001601591368 1017864263 /nfs/dbraw/zinc/86/42/63/1017864263.db2.gz JGNDBHCVQXVFJI-UHFFFAOYSA-N -1 0 300.217 -0.439 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NN2CCCNC2=O)cc1F ZINC001601596446 1017864405 /nfs/dbraw/zinc/86/44/05/1017864405.db2.gz VEXHETUINPESPS-UHFFFAOYSA-N -1 0 324.268 -0.091 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1cnn(C2CCCC2)c1 ZINC001601656285 1017864947 /nfs/dbraw/zinc/86/49/47/1017864947.db2.gz CGAFVLCBIHXUBK-SNVBAGLBSA-N -1 0 303.340 -0.278 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NS(=O)(=O)CCn1cccn1 ZINC001601645820 1017865008 /nfs/dbraw/zinc/86/50/08/1017865008.db2.gz POHFKSGMBWMACA-SECBINFHSA-N -1 0 319.339 -0.981 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC001601656276 1017865117 /nfs/dbraw/zinc/86/51/17/1017865117.db2.gz CADBPCKGYSLKMG-NWDGAFQWSA-N -1 0 306.318 -0.147 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC001601656315 1017865176 /nfs/dbraw/zinc/86/51/76/1017865176.db2.gz CWJIBIBVMPBQJG-ZJUUUORDSA-N -1 0 316.379 -0.360 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC001601655523 1017865328 /nfs/dbraw/zinc/86/53/28/1017865328.db2.gz NGUCBOBUGCFFLZ-RNJXMRFFSA-N -1 0 315.244 -0.468 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC001601656277 1017865796 /nfs/dbraw/zinc/86/57/96/1017865796.db2.gz CADBPCKGYSLKMG-VXGBXAGGSA-N -1 0 306.318 -0.147 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC001601677898 1017865951 /nfs/dbraw/zinc/86/59/51/1017865951.db2.gz SMHTVTIUGAWVBG-MWLCHTKSSA-N -1 0 302.352 -0.468 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCCCS1(=O)=O ZINC001601662526 1017865997 /nfs/dbraw/zinc/86/59/97/1017865997.db2.gz IRXSJOXLONIMRU-ZJUUUORDSA-N -1 0 315.351 -0.580 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@]12C[C@H]1COC21CCC1 ZINC001601663408 1017866917 /nfs/dbraw/zinc/86/69/17/1017866917.db2.gz TWPPNZKAJASCGB-RBZYPMLTSA-N -1 0 306.322 -0.193 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(S(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC001601683957 1017867119 /nfs/dbraw/zinc/86/71/19/1017867119.db2.gz HPBYEBNXMRHTHW-KOLCDFICSA-N -1 0 307.368 -0.490 20 0 DBADRM O=C([O-])[C@@]1(CNS(=O)(=O)C[C@@H]2CCCOC2)CCOC1 ZINC001601711275 1017867242 /nfs/dbraw/zinc/86/72/42/1017867242.db2.gz NXAANRYRXMDXAU-ZYHUDNBSSA-N -1 0 307.368 -0.176 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C[C@@H]2C=CS(=O)(=O)C2)CC1 ZINC001601683573 1017867425 /nfs/dbraw/zinc/86/74/25/1017867425.db2.gz QRCGCBVVHOOVQV-CABZTGNLSA-N -1 0 317.363 -0.381 20 0 DBADRM O=C([O-])C1([C@@]2(O)CCCN(S(=O)(=O)C3COC3)C2)CCC1 ZINC001601704767 1017867458 /nfs/dbraw/zinc/86/74/58/1017867458.db2.gz BEMCVGDWAWUZDW-CYBMUJFWSA-N -1 0 319.379 -0.203 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)CCN2CCOC2=O)CC1 ZINC001601683156 1017867919 /nfs/dbraw/zinc/86/79/19/1017867919.db2.gz OHORUJNAVOVQPD-NSHDSACASA-N -1 0 300.311 -0.487 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N[C@@H]2CCc3nnnn3CC2)CC1 ZINC001601713623 1017868408 /nfs/dbraw/zinc/86/84/08/1017868408.db2.gz NYKITMKTRZJMFK-MRVPVSSYSA-N -1 0 315.355 -0.838 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCc3n[nH]c(=O)cc3C2)CC1 ZINC001601712945 1017868464 /nfs/dbraw/zinc/86/84/64/1017868464.db2.gz NFXWTDGBWRXNCI-UHFFFAOYSA-N -1 0 313.335 -0.265 20 0 DBADRM O=C([O-])[C@]1(N2CCN(S(=O)(=O)C3CCC3)CC2)CCOC1 ZINC001601719992 1017868528 /nfs/dbraw/zinc/86/85/28/1017868528.db2.gz QNRKWOHEJKNXLX-ZDUSSCGKSA-N -1 0 318.395 -0.270 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@H](O)[C@@H]2CCCO2)CCC1 ZINC001601712163 1017868725 /nfs/dbraw/zinc/86/87/25/1017868725.db2.gz CBDLYSCWTAMYQG-UWVGGRQHSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(S(=O)(=O)CCCF)CC2)CCOC1 ZINC001601720511 1017868831 /nfs/dbraw/zinc/86/88/31/1017868831.db2.gz UUMVRUCDKSGNDN-GFCCVEGCSA-N -1 0 324.374 -0.463 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)CCC1 ZINC001601715552 1017868843 /nfs/dbraw/zinc/86/88/43/1017868843.db2.gz WUMHBAJXYZSFHN-VWYCJHECSA-N -1 0 319.379 -0.035 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(c2cc(N3CCCC[C@H]3CO)ncn2)C1 ZINC001601723017 1017869585 /nfs/dbraw/zinc/86/95/85/1017869585.db2.gz SDUFDMBMOURCNW-XHDPSFHLSA-N -1 0 322.365 -0.146 20 0 DBADRM O=C([O-])C1(O)CN(c2ccc3nnc(Br)n3n2)C1 ZINC001601726671 1017869601 /nfs/dbraw/zinc/86/96/01/1017869601.db2.gz XIDFTBNKHOOGQW-UHFFFAOYSA-N -1 0 314.099 -0.478 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)CCC[C@H]2CCOC2)C1 ZINC001601723659 1017869665 /nfs/dbraw/zinc/86/96/65/1017869665.db2.gz STPRXALUAJPSPP-CMPLNLGQSA-N -1 0 307.368 -0.346 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)CC[C@@H]2CCCO2)CC(CO)C1 ZINC001601722107 1017870077 /nfs/dbraw/zinc/87/00/77/1017870077.db2.gz UQFCTUBPFNGYQV-YZRBJQDESA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCC[C@H](OCCO)C2)CCC1 ZINC001601725683 1017870534 /nfs/dbraw/zinc/87/05/34/1017870534.db2.gz ZPWWOFQMYHEXJV-JTQLQIEISA-N -1 0 307.368 -0.203 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CC[C@@H](CCCO)C2)C1 ZINC001601736000 1017870761 /nfs/dbraw/zinc/87/07/61/1017870761.db2.gz DVDXPFAANGUBJG-PWSUYJOCSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)/C=C\CN3CCOCC3)C2)C1 ZINC001601738693 1017870932 /nfs/dbraw/zinc/87/09/32/1017870932.db2.gz HMKWPYGSRCDILN-DJYNDVHFSA-N -1 0 323.349 -0.293 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)C(=O)NC[C@H]3C=CCC3)C2)C1 ZINC001601738589 1017870971 /nfs/dbraw/zinc/87/09/71/1017870971.db2.gz FLFICEPHFWHBBV-ZUZCIYMTSA-N -1 0 321.333 -0.099 20 0 DBADRM O=C([O-])C12CC(C(=O)NCCN3CCC4(C3)OCCO4)(C1)C2 ZINC001601728940 1017871096 /nfs/dbraw/zinc/87/10/96/1017871096.db2.gz RORNKUWCDBOPQK-UHFFFAOYSA-N -1 0 310.350 -0.194 20 0 DBADRM O=C([O-])C1=CC[C@@H](NS(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC001601739776 1017871412 /nfs/dbraw/zinc/87/14/12/1017871412.db2.gz BWZILWDSRHDLOL-KOLCDFICSA-N -1 0 314.363 -0.158 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)C1 ZINC001601736812 1017871422 /nfs/dbraw/zinc/87/14/22/1017871422.db2.gz KMVLEZRZLXSXQH-BDAKNGLRSA-N -1 0 318.276 -0.496 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)[C@@]3(O)CCSC3)C2)C1 ZINC001601738813 1017871491 /nfs/dbraw/zinc/87/14/91/1017871491.db2.gz JTLRMZBYRRDPGF-NWDGAFQWSA-N -1 0 300.336 -0.314 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)C1 ZINC001601734563 1017871535 /nfs/dbraw/zinc/87/15/35/1017871535.db2.gz FHSMWZQEXLDIIV-TVSZNTQPSA-N -1 0 307.302 -0.003 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(S(=O)(=O)C[C@@H]3CCCO3)C2)C1 ZINC001601745084 1017871830 /nfs/dbraw/zinc/87/18/30/1017871830.db2.gz VKVUUFRCDUJBJQ-JOYOIKCWSA-N -1 0 318.351 -0.199 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(S(=O)(=O)Cc3ccno3)C2)C1 ZINC001601743706 1017871936 /nfs/dbraw/zinc/87/19/36/1017871936.db2.gz KGMMMNMYIURPMS-NSHDSACASA-N -1 0 315.307 -0.190 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(S(=O)(=O)C[C@H]3CCCO3)C2)C1 ZINC001601745085 1017872575 /nfs/dbraw/zinc/87/25/75/1017872575.db2.gz VKVUUFRCDUJBJQ-SKDRFNHKSA-N -1 0 318.351 -0.199 20 0 DBADRM O=C([O-])C1=CC[C@@H](n2nnnc2N2C[C@@H]3COC(=O)[C@@H]3C2)C1 ZINC001601740900 1017872207 /nfs/dbraw/zinc/87/22/07/1017872207.db2.gz VKRHRHJGUBQKQD-OPRDCNLKSA-N -1 0 305.294 -0.372 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(S(=O)(=O)C[C@@H]3CCCO3)C2)C1 ZINC001601745081 1017872643 /nfs/dbraw/zinc/87/26/43/1017872643.db2.gz VKVUUFRCDUJBJQ-CABZTGNLSA-N -1 0 318.351 -0.199 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1S(=O)(=O)CC[C@@H]1CCOC1 ZINC001601749620 1017872688 /nfs/dbraw/zinc/87/26/88/1017872688.db2.gz BSBPHKBWPNQWRZ-DCAQKATOSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)c3cnn(CCO)c3)C2)C1 ZINC001601742783 1017872723 /nfs/dbraw/zinc/87/27/23/1017872723.db2.gz FCYPQEDWQSOZJP-ZDUSSCGKSA-N -1 0 308.294 -0.679 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1S(=O)(=O)c1ccc(F)nc1F ZINC001601752982 1017872728 /nfs/dbraw/zinc/87/27/28/1017872728.db2.gz CQRRGFARTYWFMX-IMTBSYHQSA-N -1 0 322.289 -0.042 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)Cn1ncc2cccnc21 ZINC001601751115 1017872777 /nfs/dbraw/zinc/87/27/77/1017872777.db2.gz KQAXUNPYZQSNDE-ZYHUDNBSSA-N -1 0 304.306 -0.132 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1S(=O)(=O)CC[C@@H]1CCCO1 ZINC001601757401 1017872972 /nfs/dbraw/zinc/87/29/72/1017872972.db2.gz WMHZBOSFZGFDNG-DCAQKATOSA-N -1 0 307.368 -0.205 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1cn(C2CCOCC2)nn1 ZINC001601757877 1017873089 /nfs/dbraw/zinc/87/30/89/1017873089.db2.gz JEYHCONPIFLQPR-NWDGAFQWSA-N -1 0 324.337 -0.320 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CCN(C(=O)N3CCCC3)CC2)C1 ZINC001601759371 1017873127 /nfs/dbraw/zinc/87/31/27/1017873127.db2.gz OKNBHYGRVYENHJ-LBPRGKRZSA-N -1 0 324.381 -0.290 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1cn(C2CCOCC2)nn1 ZINC001601757879 1017873401 /nfs/dbraw/zinc/87/34/01/1017873401.db2.gz JEYHCONPIFLQPR-VXGBXAGGSA-N -1 0 324.337 -0.320 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CC[C@H](CN3CCCC3=O)C2)C1 ZINC001601758520 1017873723 /nfs/dbraw/zinc/87/37/23/1017873723.db2.gz CAQABKCFMYHEIP-RYUDHWBXSA-N -1 0 309.366 -0.179 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC001601757091 1017873842 /nfs/dbraw/zinc/87/38/42/1017873842.db2.gz ZSAQOPNPVPHXNV-UMNHJUIQSA-N -1 0 321.333 -0.362 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)Cn2ncc3cccnc32)C1 ZINC001601763214 1017874378 /nfs/dbraw/zinc/87/43/78/1017874378.db2.gz OHEHAEJXJKQVDU-GHMZBOCLSA-N -1 0 304.306 -0.275 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2CC(C3CCCC3)C2)C1 ZINC001601760251 1017874477 /nfs/dbraw/zinc/87/44/77/1017874477.db2.gz IWCABTRRUFKCAM-WCQYABFASA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)NCC2CC3(C2)OCCO3)C1 ZINC001601763245 1017874534 /nfs/dbraw/zinc/87/45/34/1017874534.db2.gz OTCKPOLJSSUWSA-WDEREUQCSA-N -1 0 314.338 -0.384 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001601762650 1017874551 /nfs/dbraw/zinc/87/45/51/1017874551.db2.gz AJKORSKEVPUWAE-WDEREUQCSA-N -1 0 323.353 -0.374 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)Cn2ncc3cccnc32)C1 ZINC001601763217 1017874639 /nfs/dbraw/zinc/87/46/39/1017874639.db2.gz OHEHAEJXJKQVDU-WDEREUQCSA-N -1 0 304.306 -0.275 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC[C@@H](CF)C2)C1 ZINC001601760447 1017874676 /nfs/dbraw/zinc/87/46/76/1017874676.db2.gz NRRQYIYMMRUPOS-AXFHLTTASA-N -1 0 316.329 -0.512 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCCCO[C@@H]2CCOC2)C1 ZINC001601763246 1017874747 /nfs/dbraw/zinc/87/47/47/1017874747.db2.gz OTCOBLMAXPAROI-GRYCIOLGSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)NCCS(=O)(=O)C2CC2)C1 ZINC001601764823 1017874828 /nfs/dbraw/zinc/87/48/28/1017874828.db2.gz UYZTUBVOGJXMKY-IUCAKERBSA-N -1 0 320.367 -0.959 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)N2CC(CC3CC3)C2)C1 ZINC001601760532 1017874882 /nfs/dbraw/zinc/87/48/82/1017874882.db2.gz OPUONHMWHJAWCN-RYUDHWBXSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)NCc2nnc(C3CC3)[nH]2)C1 ZINC001601764954 1017874897 /nfs/dbraw/zinc/87/48/97/1017874897.db2.gz QYXQRAZUOOUEFY-IUCAKERBSA-N -1 0 309.326 -0.341 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCCCO[C@H]2CCOC2)C1 ZINC001601763249 1017874966 /nfs/dbraw/zinc/87/49/66/1017874966.db2.gz OTCOBLMAXPAROI-WOPDTQHZSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCCO[C@@H]2CCOC2)C1 ZINC001601763234 1017874979 /nfs/dbraw/zinc/87/49/79/1017874979.db2.gz OPXKAGODAAJVRX-GMTAPVOTSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCCO[C@H]2CCOC2)C1 ZINC001601763237 1017875155 /nfs/dbraw/zinc/87/51/55/1017875155.db2.gz OPXKAGODAAJVRX-VWYCJHECSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(Cc2cn(Cc3cccnc3)nn2)C1 ZINC001601768619 1017875303 /nfs/dbraw/zinc/87/53/03/1017875303.db2.gz JYQMPDXWHNYOGQ-GXTWGEPZSA-N -1 0 317.349 -0.011 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@]2(C3CCCC3)CCNC2=O)C1 ZINC001601764974 1017875335 /nfs/dbraw/zinc/87/53/35/1017875335.db2.gz JBNFBIDTEPRLFP-XAGWURHQSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001601768098 1017875425 /nfs/dbraw/zinc/87/54/25/1017875425.db2.gz HNHAGQLVCVYBLV-GHMZBOCLSA-N -1 0 320.349 -0.016 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC001601768560 1017875463 /nfs/dbraw/zinc/87/54/63/1017875463.db2.gz JOSKKZYZACYQPQ-MFDAYCCISA-N -1 0 305.352 -0.597 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)CCOC[C@@H]2CCCO2)C1 ZINC001601767482 1017875511 /nfs/dbraw/zinc/87/55/11/1017875511.db2.gz RKBRKURIHYELCO-UTUOFQBUSA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(Cc2cn(Cc3cccnc3)nn2)C1 ZINC001601768622 1017875554 /nfs/dbraw/zinc/87/55/54/1017875554.db2.gz JYQMPDXWHNYOGQ-JSGCOSHPSA-N -1 0 317.349 -0.011 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C2(N3CCOCC3)CCC2)C1 ZINC001601767948 1017875583 /nfs/dbraw/zinc/87/55/83/1017875583.db2.gz SQXKGELPPCJGAM-RYUDHWBXSA-N -1 0 312.366 -0.465 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2ccc3[nH]c(CO)nc3c2)C1 ZINC001601766266 1017876060 /nfs/dbraw/zinc/87/60/60/1017876060.db2.gz SCICUKXYTGTLHR-NXEZZACHSA-N -1 0 319.317 -0.037 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C2(N3CCOCC3)CCC2)C1 ZINC001601767947 1017876006 /nfs/dbraw/zinc/87/60/06/1017876006.db2.gz SQXKGELPPCJGAM-NWDGAFQWSA-N -1 0 312.366 -0.465 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001601768099 1017876038 /nfs/dbraw/zinc/87/60/38/1017876038.db2.gz HNHAGQLVCVYBLV-MNOVXSKESA-N -1 0 320.349 -0.016 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)NCc2nnc3n2CCC3)C1 ZINC001601766849 1017876267 /nfs/dbraw/zinc/87/62/67/1017876267.db2.gz XKAOBRWWMPTBDR-DTWKUNHWSA-N -1 0 309.326 -0.799 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1nc[nH]n1)C2 ZINC001601775462 1017877015 /nfs/dbraw/zinc/87/70/15/1017877015.db2.gz DQFKPUMISVTFCN-RKDXNWHRSA-N -1 0 319.321 -0.800 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN1Cc1nnnn1CC1CCOCC1 ZINC001601773154 1017877087 /nfs/dbraw/zinc/87/70/87/1017877087.db2.gz NBGYHLWLROOTJT-WDEREUQCSA-N -1 0 311.342 -0.881 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCn1cncn1 ZINC001601775490 1017877187 /nfs/dbraw/zinc/87/71/87/1017877187.db2.gz FDTFRCZLDWQISX-RNJOBUHISA-N -1 0 319.365 -0.326 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CCO)CCNCc1cnsn1 ZINC001601775799 1017877201 /nfs/dbraw/zinc/87/72/01/1017877201.db2.gz LGJLDGUHZPYPDA-VHSXEESVSA-N -1 0 314.367 -0.831 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001601776061 1017877450 /nfs/dbraw/zinc/87/74/50/1017877450.db2.gz RRPRVRFWTAJZOP-JCIQBVFBSA-N -1 0 308.334 -0.826 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(CC(=O)N2CCCC2)C1 ZINC001601776865 1017878129 /nfs/dbraw/zinc/87/81/29/1017878129.db2.gz ATMKXBDZNIYSJC-RYUDHWBXSA-N -1 0 309.366 -0.623 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCN(C(=O)c1csnn1)C1CC1 ZINC001601776803 1017878221 /nfs/dbraw/zinc/87/82/21/1017878221.db2.gz ACKJMZDSMIABCF-BDAKNGLRSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001601776771 1017878251 /nfs/dbraw/zinc/87/82/51/1017878251.db2.gz CELSZKNDQTXFAX-NXEZZACHSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2CN(Cc3cnon3)C[C@H]2C1 ZINC001601776910 1017878295 /nfs/dbraw/zinc/87/82/95/1017878295.db2.gz DVWYLAOEXCCUFY-DMWPJOQESA-N -1 0 306.322 -0.320 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001601776524 1017878373 /nfs/dbraw/zinc/87/83/73/1017878373.db2.gz ALZCEFMRJAJNIN-NWDGAFQWSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2ccnnc2)CC1 ZINC001601776781 1017878433 /nfs/dbraw/zinc/87/84/33/1017878433.db2.gz CFKJJVIPZUEJNR-RYUDHWBXSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(O)CN(CCOC2CCC2)C1 ZINC001601776956 1017878608 /nfs/dbraw/zinc/87/86/08/1017878608.db2.gz CTTKYFFVZKSCLH-NEPJUHHUSA-N -1 0 312.366 -0.561 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)CC2(O)CCC2)CC1 ZINC001601776661 1017878650 /nfs/dbraw/zinc/87/86/50/1017878650.db2.gz DAPUDDWBUIHTPH-QWRGUYRKSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2ccncn2)CC1 ZINC001601777184 1017879014 /nfs/dbraw/zinc/87/90/14/1017879014.db2.gz DMUAURSOPBQIRF-MNOVXSKESA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2csnn2)CC1 ZINC001601777537 1017879347 /nfs/dbraw/zinc/87/93/47/1017879347.db2.gz FWDIGZWDZZKNDG-DTWKUNHWSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)/C=C\C2CC2)C1 ZINC001601778551 1017880244 /nfs/dbraw/zinc/88/02/44/1017880244.db2.gz JCJNIQUJCVGWAQ-ANDSXOESSA-N -1 0 308.334 -0.637 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001601779038 1017880783 /nfs/dbraw/zinc/88/07/83/1017880783.db2.gz KPNBRMVYHNGGTC-OBPIAQAESA-N -1 0 322.361 -0.293 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ccnnc2)CC1 ZINC001601779671 1017880805 /nfs/dbraw/zinc/88/08/05/1017880805.db2.gz QDSNIPRNTFTDFQ-GHMZBOCLSA-N -1 0 304.306 -0.518 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)CC(F)(F)F)C1 ZINC001601779367 1017880888 /nfs/dbraw/zinc/88/08/88/1017880888.db2.gz LLXZKBPKSQOWJF-BQBZGAKWSA-N -1 0 324.255 -0.651 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCOC2(CN(C(=O)C3CCC3)C2)C1 ZINC001601782270 1017882471 /nfs/dbraw/zinc/88/24/71/1017882471.db2.gz XYJHOXAPKBOPAD-VXGBXAGGSA-N -1 0 322.361 -0.053 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)Cc2cnoc2)C1 ZINC001601783813 1017882630 /nfs/dbraw/zinc/88/26/30/1017882630.db2.gz UHPMXJVXVYRIEV-WDEREUQCSA-N -1 0 307.306 -0.488 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)CCc2c[nH]cn2)C1 ZINC001601782362 1017882973 /nfs/dbraw/zinc/88/29/73/1017882973.db2.gz QOXJSMPTYNPYIX-NEPJUHHUSA-N -1 0 320.349 -0.362 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc3nnnn3n2)C1 ZINC001601783756 1017883352 /nfs/dbraw/zinc/88/33/52/1017883352.db2.gz TVJXGFOQXMPBKG-UYXSQOIJSA-N -1 0 317.309 -0.701 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=COCCO3)C[C@H]21 ZINC001601784019 1017883608 /nfs/dbraw/zinc/88/36/08/1017883608.db2.gz UPVKPTHXAGRIBC-KUNJHIDRSA-N -1 0 322.317 -0.832 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2n[nH]cc2F)C1 ZINC001601784883 1017883667 /nfs/dbraw/zinc/88/36/67/1017883667.db2.gz WFRDWAZKTGLBHI-YUMQZZPRSA-N -1 0 310.285 -0.542 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001601784373 1017883684 /nfs/dbraw/zinc/88/36/84/1017883684.db2.gz VRMVQMMQGVIEKN-LVEVGFFFSA-N -1 0 308.334 -0.826 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2ccncn2)C1 ZINC001601784325 1017883823 /nfs/dbraw/zinc/88/38/23/1017883823.db2.gz VEWCXJKWJLADQC-ZJUUUORDSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN(C(=O)c1cccnn1)C1CC1 ZINC001601785004 1017884000 /nfs/dbraw/zinc/88/40/00/1017884000.db2.gz WRDFZZZYWXTORO-GHMZBOCLSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCN(C(=O)Cn1cccn1)C1CC1 ZINC001601784888 1017884096 /nfs/dbraw/zinc/88/40/96/1017884096.db2.gz WGJZKVJVCVUHRA-NWDGAFQWSA-N -1 0 320.349 -0.289 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2ccc(F)nc2)C1 ZINC001601783966 1017884478 /nfs/dbraw/zinc/88/44/78/1017884478.db2.gz XUIHFNOFTWDVDG-VHSXEESVSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)N1CCN(CCO)CC1 ZINC001601808891 1017884630 /nfs/dbraw/zinc/88/46/30/1017884630.db2.gz PFFLGRKIQPSUPL-NWDGAFQWSA-N -1 0 320.411 -0.431 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)NCCN1CCNC1=O ZINC001601810119 1017884646 /nfs/dbraw/zinc/88/46/46/1017884646.db2.gz KPKFMPQMUWDFKK-VHSXEESVSA-N -1 0 319.383 -0.426 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)C1 ZINC001601801935 1017884659 /nfs/dbraw/zinc/88/46/59/1017884659.db2.gz SVDOPGCAKFZUFM-HBNTYKKESA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCN(C3CC3)CC2)C1=O ZINC001601817313 1017884766 /nfs/dbraw/zinc/88/47/66/1017884766.db2.gz KOWMHXMOMGVNLU-GFCCVEGCSA-N -1 0 309.366 -0.384 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)NCCc1nnc[nH]1 ZINC001601809566 1017885212 /nfs/dbraw/zinc/88/52/12/1017885212.db2.gz HKDLROMYDHIJTM-IUCAKERBSA-N -1 0 302.356 -0.090 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCOC[C@@H]2C2CC2)C1=O ZINC001601817330 1017885358 /nfs/dbraw/zinc/88/53/58/1017885358.db2.gz LCIPTIRYKZKLDU-NWDGAFQWSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])C1CCC(S(=O)(=O)N2CC[C@H](O)[C@H](CO)C2)CC1 ZINC001601800216 1017885433 /nfs/dbraw/zinc/88/54/33/1017885433.db2.gz XRHKLAIYMBJMRR-ADPBJBESSA-N -1 0 321.395 -0.365 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCOC[C@H]2C2CC2)C1=O ZINC001601817329 1017885438 /nfs/dbraw/zinc/88/54/38/1017885438.db2.gz LCIPTIRYKZKLDU-NEPJUHHUSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC[C@@H](O)C(F)(F)C2)C1=O ZINC001601817404 1017885561 /nfs/dbraw/zinc/88/55/61/1017885561.db2.gz FFBISVIOSMRMKI-DTWKUNHWSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@H](n3cncn3)C2)C1=O ZINC001601819134 1017885924 /nfs/dbraw/zinc/88/59/24/1017885924.db2.gz SXPPEUGDJXVXMX-WDEREUQCSA-N -1 0 321.337 -0.625 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCC[C@H](CO)CC2)C1=O ZINC001601818182 1017886039 /nfs/dbraw/zinc/88/60/39/1017886039.db2.gz KKFZDFJGWYTNPS-NWDGAFQWSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@H](O)[C@@H](F)C2)CC1 ZINC001601819570 1017886119 /nfs/dbraw/zinc/88/61/19/1017886119.db2.gz DZQOPYMERFQRCY-UWVGGRQHSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC(OCC(F)F)C2)CC1 ZINC001601821013 1017886235 /nfs/dbraw/zinc/88/62/35/1017886235.db2.gz ZNCLBDMDFOCKLG-UHFFFAOYSA-N -1 0 320.292 -0.198 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC[C@](F)(CO)C2)C1=O ZINC001601819051 1017886348 /nfs/dbraw/zinc/88/63/48/1017886348.db2.gz RTTCTYAKVOAUQF-TVQRCGJNSA-N -1 0 302.302 -0.758 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001601820089 1017886470 /nfs/dbraw/zinc/88/64/70/1017886470.db2.gz DSSHMFVCHRHPEW-YUMQZZPRSA-N -1 0 324.255 -0.291 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2COCCN2CC(F)F)CCO1 ZINC001601841177 1017886762 /nfs/dbraw/zinc/88/67/62/1017886762.db2.gz LQVJACOTJXKZHJ-DTWKUNHWSA-N -1 0 308.281 -0.736 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2COCCN2CC(F)F)CCO1 ZINC001601841136 1017887227 /nfs/dbraw/zinc/88/72/27/1017887227.db2.gz LQVJACOTJXKZHJ-BDAKNGLRSA-N -1 0 308.281 -0.736 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CC[C@@H](O)[C@H](F)C2)CC1 ZINC001601829671 1017887260 /nfs/dbraw/zinc/88/72/60/1017887260.db2.gz CPTPATYQTNNIMT-NXEZZACHSA-N -1 0 310.347 -0.568 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001601823906 1017887264 /nfs/dbraw/zinc/88/72/64/1017887264.db2.gz QKGIDJAIIQZZBT-VHSXEESVSA-N -1 0 321.337 -0.123 20 0 DBADRM O=C([O-])[C@@H]1CCN1C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC001601832865 1017887579 /nfs/dbraw/zinc/88/75/79/1017887579.db2.gz AJVRVYSHOKFRAJ-JTQLQIEISA-N -1 0 316.310 -0.211 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)NC[C@H]2CCCS(=O)(=O)C2)C1 ZINC001601823878 1017887706 /nfs/dbraw/zinc/88/77/06/1017887706.db2.gz LQBYDHYZCBZTJB-NXEZZACHSA-N -1 0 304.368 -0.073 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2C(=O)NC3(CCC3)C2=O)CC1 ZINC001601823552 1017887724 /nfs/dbraw/zinc/88/77/24/1017887724.db2.gz XPZSXTKEOUIAFC-UHFFFAOYSA-N -1 0 309.322 -0.216 20 0 DBADRM O=C([O-])[C@H]1CN(Cc2nnnn2CC2CCOCC2)CCO1 ZINC001601848558 1017888021 /nfs/dbraw/zinc/88/80/21/1017888021.db2.gz DLRRIXFGGNFUIO-LLVKDONJSA-N -1 0 311.342 -0.615 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccn(CCn3cccn3)n2)CCO1 ZINC001601846978 1017888454 /nfs/dbraw/zinc/88/84/54/1017888454.db2.gz ZXOACKRZNFNQGC-LBPRGKRZSA-N -1 0 319.321 -0.295 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CN2CSCCSC2)CCO1 ZINC001601843066 1017888513 /nfs/dbraw/zinc/88/85/13/1017888513.db2.gz JOIPYJPNCDRZKT-SECBINFHSA-N -1 0 306.409 -0.005 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N(CC[C@]3(O)CCOC3)C(=O)[C@H]2C1 ZINC001601842965 1017888538 /nfs/dbraw/zinc/88/85/38/1017888538.db2.gz QSALCLMSZRGBMH-RULNRJAQSA-N -1 0 312.322 -0.345 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3n[nH]c(=S)n3c2)CCO1 ZINC001601847011 1017888850 /nfs/dbraw/zinc/88/88/50/1017888850.db2.gz HZYGMMFYCAWJIW-QMMMGPOBSA-N -1 0 308.319 -0.056 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)OC[C@@H]1CCCO1 ZINC001601854197 1017889491 /nfs/dbraw/zinc/88/94/91/1017889491.db2.gz USFJMTQGAAWKOT-IUCAKERBSA-N -1 0 307.324 -0.514 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCOCC(F)F ZINC001601854128 1017889395 /nfs/dbraw/zinc/88/93/95/1017889395.db2.gz PVKAPNAQKZHGLG-ZETCQYMHSA-N -1 0 315.294 -0.632 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)OC[C@H]1CCCO1 ZINC001601854195 1017889592 /nfs/dbraw/zinc/88/95/92/1017889592.db2.gz USFJMTQGAAWKOT-BDAKNGLRSA-N -1 0 307.324 -0.514 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(C2CC2)no1 ZINC001601853908 1017889910 /nfs/dbraw/zinc/88/99/10/1017889910.db2.gz FHTWPVUIRCTAEN-VIFPVBQESA-N -1 0 314.319 -0.124 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H](O)c1ccccc1 ZINC001601854102 1017890135 /nfs/dbraw/zinc/89/01/35/1017890135.db2.gz PEFBWLIMFGYVQF-QWRGUYRKSA-N -1 0 313.331 -0.570 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001601854611 1017890388 /nfs/dbraw/zinc/89/03/88/1017890388.db2.gz RHKPOEZNRPZXAH-MRVPVSSYSA-N -1 0 314.319 -0.124 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1coc(CO)c1 ZINC001601854434 1017890397 /nfs/dbraw/zinc/89/03/97/1017890397.db2.gz HSQZBVYMZOHZGL-VIFPVBQESA-N -1 0 303.292 -0.904 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ocnc1C(F)F ZINC001601854293 1017890424 /nfs/dbraw/zinc/89/04/24/1017890424.db2.gz AGXURLJENDGJGY-RXMQYKEDSA-N -1 0 324.261 -0.064 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCCn1cccc1 ZINC001601854273 1017890470 /nfs/dbraw/zinc/89/04/70/1017890470.db2.gz ZUEORSQZKYPMFG-LLVKDONJSA-N -1 0 314.363 -0.022 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001601854612 1017890517 /nfs/dbraw/zinc/89/05/17/1017890517.db2.gz RHKPOEZNRPZXAH-QMMMGPOBSA-N -1 0 314.319 -0.124 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccncc1F ZINC001601854707 1017890655 /nfs/dbraw/zinc/89/06/55/1017890655.db2.gz VXKJKIKHXJGUCP-SECBINFHSA-N -1 0 302.283 -0.456 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)C1CC1 ZINC001601889471 1017890789 /nfs/dbraw/zinc/89/07/89/1017890789.db2.gz DYQSWQYGTIZKQL-BBBLOLIVSA-N -1 0 309.322 -0.599 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)CN1C(=O)CNC1=O)c1cccs1 ZINC001601901223 1017891054 /nfs/dbraw/zinc/89/10/54/1017891054.db2.gz MYZBCUCXSNMGMU-SSDOTTSWSA-N -1 0 311.319 -0.068 20 0 DBADRM O=C([O-])C[C@H](NS(=O)(=O)CCN1CCOC1=O)C1CC1 ZINC001601908858 1017891174 /nfs/dbraw/zinc/89/11/74/1017891174.db2.gz SUUWJRHXHOPNHI-VIFPVBQESA-N -1 0 306.340 -0.389 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)NCC(=O)N1CCOCC1)C1CC1 ZINC001601894371 1017891232 /nfs/dbraw/zinc/89/12/32/1017891232.db2.gz YYQUZQNZPQQJGC-LLVKDONJSA-N -1 0 313.354 -0.355 20 0 DBADRM O=C([O-])C[C@H](NC(=O)Cn1cccnc1=O)c1ccncc1 ZINC001601902030 1017891286 /nfs/dbraw/zinc/89/12/86/1017891286.db2.gz PSHOGYFTYGBZQT-NSHDSACASA-N -1 0 302.290 -0.030 20 0 DBADRM O=C([O-])/C=C/c1ccc(C(=O)OCC(=O)N2CCNC(=O)C2)o1 ZINC001601878227 1017891612 /nfs/dbraw/zinc/89/16/12/1017891612.db2.gz ZKUWFGDCZLUZNQ-DUXPYHPUSA-N -1 0 322.273 -0.507 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC001601908794 1017891617 /nfs/dbraw/zinc/89/16/17/1017891617.db2.gz KVCZXRLYNSPAMP-VIFPVBQESA-N -1 0 310.310 -0.890 20 0 DBADRM O=C([O-])C[C@H](NC(=O)CN1CCNCC1=O)c1ccc(F)cc1 ZINC001601901576 1017891625 /nfs/dbraw/zinc/89/16/25/1017891625.db2.gz WFJMUHUNTUAGPG-LBPRGKRZSA-N -1 0 323.324 -0.111 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)c1cnnn1-c1cccc(F)c1 ZINC001601913012 1017892027 /nfs/dbraw/zinc/89/20/27/1017892027.db2.gz RRMGKDHOVNNXLO-JTQLQIEISA-N -1 0 308.269 -0.028 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC001601911972 1017892045 /nfs/dbraw/zinc/89/20/45/1017892045.db2.gz OMTVLSWQEDIXJN-SSDOTTSWSA-N -1 0 311.323 -0.578 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)cc1F ZINC001601909228 1017892066 /nfs/dbraw/zinc/89/20/66/1017892066.db2.gz OYSRBDPBFPFCPZ-SSDOTTSWSA-N -1 0 302.233 -0.145 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)CNC(=O)c1ccc(F)cc1F ZINC001601910876 1017892274 /nfs/dbraw/zinc/89/22/74/1017892274.db2.gz UABSLZMBDGXRJZ-QMMMGPOBSA-N -1 0 316.260 -0.354 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001601909122 1017892341 /nfs/dbraw/zinc/89/23/41/1017892341.db2.gz AFRNDMQIIMOKIQ-OLZOCXBDSA-N -1 0 320.345 -0.013 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001601910810 1017892411 /nfs/dbraw/zinc/89/24/11/1017892411.db2.gz NSSXIPIEUWOJRP-NSHDSACASA-N -1 0 320.301 -0.095 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)c1cccc2nonc21 ZINC001601912809 1017892530 /nfs/dbraw/zinc/89/25/30/1017892530.db2.gz OHMMNTVECLNUBU-LURJTMIESA-N -1 0 301.280 -0.663 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)c1cccc2nonc21 ZINC001601912810 1017892574 /nfs/dbraw/zinc/89/25/74/1017892574.db2.gz OHMMNTVECLNUBU-ZCFIWIBFSA-N -1 0 301.280 -0.663 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)c1ccc(CN2CCOCC2)o1 ZINC001601910860 1017892593 /nfs/dbraw/zinc/89/25/93/1017892593.db2.gz PBFWTGMBFNMLIG-SNVBAGLBSA-N -1 0 312.322 -0.323 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC001601911052 1017892726 /nfs/dbraw/zinc/89/27/26/1017892726.db2.gz SDTDIYKZMZVUKR-SNVBAGLBSA-N -1 0 321.333 -0.117 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CCCOC1 ZINC001601926155 1017893172 /nfs/dbraw/zinc/89/31/72/1017893172.db2.gz GERGYCMOJMQAFA-LKFCYVNXSA-N -1 0 324.337 -0.314 20 0 DBADRM O=C([O-])CC1(NC(=O)CC2CS(=O)(=O)C2)CCOCC1 ZINC001601925449 1017893290 /nfs/dbraw/zinc/89/32/90/1017893290.db2.gz NNMKFKGGLPSAEA-UHFFFAOYSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC001601920884 1017893321 /nfs/dbraw/zinc/89/33/21/1017893321.db2.gz HXRTYLXEIUXHAX-ZDUSSCGKSA-N -1 0 316.379 -0.217 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)[C@H]2CCCS(=O)(=O)C2)CCOC1 ZINC001601924749 1017893549 /nfs/dbraw/zinc/89/35/49/1017893549.db2.gz AGDGQVCNGJYELT-JOYOIKCWSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@@]2(F)CCOC2)CCS(=O)(=O)CC1 ZINC001601925577 1017893622 /nfs/dbraw/zinc/89/36/22/1017893622.db2.gz OBKHEZYXNBSVTF-GFCCVEGCSA-N -1 0 323.342 -0.347 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCC(=O)NCC(F)F)CC1 ZINC001601921976 1017893848 /nfs/dbraw/zinc/89/38/48/1017893848.db2.gz OCBSDJKXORQQEL-UHFFFAOYSA-N -1 0 314.310 -0.458 20 0 DBADRM O=C([O-])CC1(NC(=O)CNC(=O)N2CCCC2)CCOCC1 ZINC001601927173 1017894305 /nfs/dbraw/zinc/89/43/05/1017894305.db2.gz YCGGHLAQUBZCAL-UHFFFAOYSA-N -1 0 313.354 -0.068 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C[C@H](O)CCC1(O)CCC1 ZINC001601940586 1017894828 /nfs/dbraw/zinc/89/48/28/1017894828.db2.gz UZCWATNVEYPBDB-MNOVXSKESA-N -1 0 300.355 -0.682 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C[C@@H](O)CCC1(O)CCC1 ZINC001601940591 1017894975 /nfs/dbraw/zinc/89/49/75/1017894975.db2.gz UZCWATNVEYPBDB-WDEREUQCSA-N -1 0 300.355 -0.682 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cc1ccc2n[nH]cc2c1 ZINC001601938625 1017895075 /nfs/dbraw/zinc/89/50/75/1017895075.db2.gz CDXFDKLMFSRQRL-LBPRGKRZSA-N -1 0 316.317 -0.093 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)C1SCCCS1 ZINC001601938686 1017895207 /nfs/dbraw/zinc/89/52/07/1017895207.db2.gz DRQPVZMLMJAFIX-SSDOTTSWSA-N -1 0 304.393 -0.016 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCc2cncn2C1 ZINC001601938568 1017895428 /nfs/dbraw/zinc/89/54/28/1017895428.db2.gz AMPGGYORMSBWSY-MWLCHTKSSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H](O)Cc1ccccc1 ZINC001601940133 1017895469 /nfs/dbraw/zinc/89/54/69/1017895469.db2.gz GHKJFFZIZWMQGV-RYUDHWBXSA-N -1 0 306.318 -0.608 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ncc2n1CCCC2 ZINC001601941378 1017896113 /nfs/dbraw/zinc/89/61/13/1017896113.db2.gz ZQAXWMWMZPXOHA-JTQLQIEISA-N -1 0 306.322 -0.365 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2CCO[C@H](C(F)F)C2)C1 ZINC001601941029 1017896270 /nfs/dbraw/zinc/89/62/70/1017896270.db2.gz KPGFZZRDIDQTEP-HACHORDNSA-N -1 0 320.292 -0.152 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cnn(C(F)F)c1 ZINC001601942676 1017896566 /nfs/dbraw/zinc/89/65/66/1017896566.db2.gz UKLRVLCKDBSXCN-ZETCQYMHSA-N -1 0 302.237 -0.307 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1CCCNC(=O)C(F)(F)F ZINC001601941167 1017896755 /nfs/dbraw/zinc/89/67/55/1017896755.db2.gz WUDGEEJKBDYCNT-SSDOTTSWSA-N -1 0 311.260 -0.670 20 0 DBADRM O=C([O-])CC1CC(NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001601941842 1017896835 /nfs/dbraw/zinc/89/68/35/1017896835.db2.gz AFLARGQVIJAWCA-UHFFFAOYSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)N2CCC(F)(F)C2)CCO1 ZINC001601957223 1017897034 /nfs/dbraw/zinc/89/70/34/1017897034.db2.gz AEIGLNSGJQOBJZ-QMMMGPOBSA-N -1 0 306.265 -0.444 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C[C@@H]2CCCS2(=O)=O)CCO1 ZINC001601958274 1017897153 /nfs/dbraw/zinc/89/71/53/1017897153.db2.gz XZNANPDDAJRGDN-UWVGGRQHSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2COCCN2CC(F)F)CCO1 ZINC001601958914 1017897419 /nfs/dbraw/zinc/89/74/19/1017897419.db2.gz VUCJMBOZWXBMHU-ZJUUUORDSA-N -1 0 322.308 -0.346 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCCC2CS(=O)(=O)C2)CCO1 ZINC001601959149 1017897672 /nfs/dbraw/zinc/89/76/72/1017897672.db2.gz BOGMDRHOOPEGKG-SNVBAGLBSA-N -1 0 320.367 -0.694 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC001601952759 1017897730 /nfs/dbraw/zinc/89/77/30/1017897730.db2.gz VHKPLTGJOKGFBW-UCZLSJFXSA-N -1 0 322.361 -0.008 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CC2(F)F)CCO1 ZINC001601957331 1017897756 /nfs/dbraw/zinc/89/77/56/1017897756.db2.gz CMAIGVRIZHTGIL-BDAKNGLRSA-N -1 0 320.292 -0.150 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)NCc1nnc2n1CCC2 ZINC001601952488 1017897931 /nfs/dbraw/zinc/89/79/31/1017897931.db2.gz SLGCRWALOCLRJY-VIFPVBQESA-N -1 0 321.337 -0.694 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)CCO1 ZINC001601959361 1017898548 /nfs/dbraw/zinc/89/85/48/1017898548.db2.gz GUKKUMXTMXZRNM-KXNHARMFSA-N -1 0 314.338 -0.325 20 0 DBADRM O=C([O-])C[C@H]1CN(Cn2nnc(-c3cscn3)n2)CCO1 ZINC001601961494 1017898639 /nfs/dbraw/zinc/89/86/39/1017898639.db2.gz CNESAGMRXDXFGR-QMMMGPOBSA-N -1 0 310.339 -0.070 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)c1ccnc(-n2cncn2)c1 ZINC001601965185 1017898865 /nfs/dbraw/zinc/89/88/65/1017898865.db2.gz HGZIALYKXWSYPK-LLVKDONJSA-N -1 0 317.305 -0.022 20 0 DBADRM O=C([O-])C[C@@H]1CN(c2nnnn2CCOC2CCC2)CCO1 ZINC001601965957 1017898884 /nfs/dbraw/zinc/89/88/84/1017898884.db2.gz LIATYGQAEUCLFD-LLVKDONJSA-N -1 0 311.342 -0.078 20 0 DBADRM O=C([O-])C[C@@H]1CN(c2nnnn2C[C@@H]2CCCCO2)CCO1 ZINC001601966024 1017898982 /nfs/dbraw/zinc/89/89/82/1017898982.db2.gz MRDKVFOXVAVXQX-WDEREUQCSA-N -1 0 311.342 -0.078 20 0 DBADRM O=C([O-])C[C@H]1CN(c2nnnn2C[C@@H]2CCCCO2)CCO1 ZINC001601966023 1017899013 /nfs/dbraw/zinc/89/90/13/1017899013.db2.gz MRDKVFOXVAVXQX-QWRGUYRKSA-N -1 0 311.342 -0.078 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001601966514 1017899021 /nfs/dbraw/zinc/89/90/21/1017899021.db2.gz VAXGLORDQWMKGG-NXEZZACHSA-N -1 0 303.336 -0.363 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1CCOC[C@H]1CCCO1 ZINC001601968433 1017899079 /nfs/dbraw/zinc/89/90/79/1017899079.db2.gz PPLVONQOYOTDRD-VXGBXAGGSA-N -1 0 321.395 -0.244 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1Cc1nnc2c(=O)[nH]ccn12 ZINC001601967604 1017899085 /nfs/dbraw/zinc/89/90/85/1017899085.db2.gz HAHLNJYVUQDUNY-MRVPVSSYSA-N -1 0 309.351 -0.190 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1CN1CCSC1=O ZINC001601967827 1017899091 /nfs/dbraw/zinc/89/90/91/1017899091.db2.gz IBRLSVNTTQVQDL-QMMMGPOBSA-N -1 0 308.381 -0.314 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1CC1(O)CCSCC1 ZINC001601967507 1017899097 /nfs/dbraw/zinc/89/90/97/1017899097.db2.gz FQGMXEMMYZUZQV-SNVBAGLBSA-N -1 0 323.436 -0.182 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1CCOC[C@@H]1CCCO1 ZINC001601968430 1017899344 /nfs/dbraw/zinc/89/93/44/1017899344.db2.gz PPLVONQOYOTDRD-NEPJUHHUSA-N -1 0 321.395 -0.244 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001601966515 1017899446 /nfs/dbraw/zinc/89/94/46/1017899446.db2.gz VAXGLORDQWMKGG-UWVGGRQHSA-N -1 0 303.336 -0.363 20 0 DBADRM O=C([O-])C[C@@H]1CN(c2nnnn2[C@@H]2C[C@@H]3CC[C@H]2O3)CCO1 ZINC001601964877 1017899501 /nfs/dbraw/zinc/89/95/01/1017899501.db2.gz FADGUMIKQHZLOX-LNFKQOIKSA-N -1 0 309.326 -0.155 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1CCNC(=O)C1CC1 ZINC001601968607 1017899688 /nfs/dbraw/zinc/89/96/88/1017899688.db2.gz RQVGZEKQYJTWTA-JTQLQIEISA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])CCCCCCNC(=O)NCCN1C(=O)CNC1=O ZINC001601983650 1017901054 /nfs/dbraw/zinc/90/10/54/1017901054.db2.gz KKDSZNZPIMFPKN-UHFFFAOYSA-N -1 0 314.342 -0.128 20 0 DBADRM O=C([O-])CCCCNC(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001601988323 1017901257 /nfs/dbraw/zinc/90/12/57/1017901257.db2.gz VTXCZAYNFDDOHN-UHFFFAOYSA-N -1 0 312.326 -0.107 20 0 DBADRM O=C([O-])CCCCC(=O)NCCc1nnc2n1CCNC2=O ZINC001601982308 1017902298 /nfs/dbraw/zinc/90/22/98/1017902298.db2.gz WRWQQDZQVGFNDV-UHFFFAOYSA-N -1 0 309.326 -0.675 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1CCN(CCO)CC1 ZINC001601985978 1017903813 /nfs/dbraw/zinc/90/38/13/1017903813.db2.gz DXFJSOFFVSKYBK-UHFFFAOYSA-N -1 0 308.400 -0.429 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001602001675 1017904755 /nfs/dbraw/zinc/90/47/55/1017904755.db2.gz KTXGSGMGENQREH-MRVPVSSYSA-N -1 0 305.312 -0.810 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N[C@@H](C[NH+]1CCCCC1)C(=O)[O-] ZINC001601998918 1017905491 /nfs/dbraw/zinc/90/54/91/1017905491.db2.gz ASMNNCXUTLDDAS-JTQLQIEISA-N -1 0 322.383 -0.290 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001601998413 1017905777 /nfs/dbraw/zinc/90/57/77/1017905777.db2.gz CXNVAZVWLFDPBU-SNVBAGLBSA-N -1 0 319.383 -0.283 20 0 DBADRM O=C([O-])CCCc1nc(COC(=O)C2(CO)COC2)no1 ZINC001602001463 1017906768 /nfs/dbraw/zinc/90/67/68/1017906768.db2.gz JYJBQENRJVRRCU-UHFFFAOYSA-N -1 0 300.267 -0.471 20 0 DBADRM O=C([O-])CCNC(=O)CCNS(=O)(=O)C1CCC(=O)CC1 ZINC001602019660 1017920541 /nfs/dbraw/zinc/92/05/41/1017920541.db2.gz PKAQQVMDRHUUKG-UHFFFAOYSA-N -1 0 320.367 -0.602 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[N@H+](CC(=O)[O-])CC1 ZINC001601998819 1017907316 /nfs/dbraw/zinc/90/73/16/1017907316.db2.gz IUZHMBWTCBJRQE-UHFFFAOYSA-N -1 0 308.356 -0.727 20 0 DBADRM O=C([O-])CCCS(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1 ZINC001601998659 1017907590 /nfs/dbraw/zinc/90/75/90/1017907590.db2.gz WMPHZPNKBLKHSG-NSHDSACASA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])CCN(Cc1ccccc1)C(=O)CCNC(=O)CO ZINC001602008792 1017908795 /nfs/dbraw/zinc/90/87/95/1017908795.db2.gz JHGSRNGQFYTPCG-UHFFFAOYSA-N -1 0 308.334 -0.012 20 0 DBADRM Cc1cc(OCC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)no1 ZINC001498997060 1017909143 /nfs/dbraw/zinc/90/91/43/1017909143.db2.gz FFNIQAOJQRBCOH-VIFPVBQESA-N -1 0 322.325 -0.424 20 0 DBADRM O=C([O-])CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001602006211 1017909301 /nfs/dbraw/zinc/90/93/01/1017909301.db2.gz LXTURYIUPCVOQH-WDEREUQCSA-N -1 0 314.338 -0.372 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CCCS(=O)(=O)CC2)C1=O ZINC001602009377 1017909631 /nfs/dbraw/zinc/90/96/31/1017909631.db2.gz FMTAFXREQUFJAK-SNVBAGLBSA-N -1 0 304.368 -0.818 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)c2ccc3nnnn3c2)C1=O ZINC001602010895 1017909723 /nfs/dbraw/zinc/90/97/23/1017909723.db2.gz JKOUUCVBEXANHD-SECBINFHSA-N -1 0 319.277 -0.643 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)c2nc3ncccn3n2)C1=O ZINC001602010877 1017912018 /nfs/dbraw/zinc/91/20/18/1017912018.db2.gz IZWBWQNXLUKXPX-MRVPVSSYSA-N -1 0 319.277 -0.643 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CCN(c3nc[nH]n3)CC2)C1=O ZINC001602015430 1017913616 /nfs/dbraw/zinc/91/36/16/1017913616.db2.gz LBFSXSSWIMOGAY-SNVBAGLBSA-N -1 0 308.342 -0.998 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CCN(c3cccnn3)CC2)C1=O ZINC001602016005 1017916949 /nfs/dbraw/zinc/91/69/49/1017916949.db2.gz MUMOXPVMHOEKAP-GFCCVEGCSA-N -1 0 319.365 -0.326 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)C(F)(F)C1(O)CCC1 ZINC001602015480 1017917078 /nfs/dbraw/zinc/91/70/78/1017917078.db2.gz AGFAWIWXKYZZCL-UHFFFAOYSA-N -1 0 308.281 -0.366 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CCc3n[nH]c(=O)cc3C2)C1=O ZINC001602016779 1017917112 /nfs/dbraw/zinc/91/71/12/1017917112.db2.gz QKFOZRCDXJSOMI-NSHDSACASA-N -1 0 306.322 -0.384 20 0 DBADRM O=C([O-])CCN1CCC[C@H](OC(=O)[C@@H]2CCC(=O)NC2)C1=O ZINC001602012966 1017917177 /nfs/dbraw/zinc/91/71/77/1017917177.db2.gz SQTSFDOCWHORTI-ZJUUUORDSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1ccc2c(n1)OCCO2 ZINC001602018837 1017919679 /nfs/dbraw/zinc/91/96/79/1017919679.db2.gz XGNDDEUOZGPSHD-UHFFFAOYSA-N -1 0 323.305 -0.436 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC001602019694 1017919808 /nfs/dbraw/zinc/91/98/08/1017919808.db2.gz NZXQDJAWWDJPIM-WDEREUQCSA-N -1 0 313.354 -0.166 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCC[C@H]1CCO ZINC001602018192 1017920041 /nfs/dbraw/zinc/92/00/41/1017920041.db2.gz RCTATPWSHISPMC-JTQLQIEISA-N -1 0 301.343 -0.476 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)Cn1cc(C2CC2)cn1 ZINC001602018201 1017920623 /nfs/dbraw/zinc/92/06/23/1017920623.db2.gz RRDMFQXSJFUEQS-UHFFFAOYSA-N -1 0 308.338 -0.142 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1ncnc2[nH]ccc21 ZINC001602019435 1017921125 /nfs/dbraw/zinc/92/11/25/1017921125.db2.gz KBIVJAVQRSVNSH-UHFFFAOYSA-N -1 0 305.294 -0.380 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCN(Cc2cscn2)CC1 ZINC001602021397 1017923998 /nfs/dbraw/zinc/92/39/98/1017923998.db2.gz DGOADVLZFALCLW-UHFFFAOYSA-N -1 0 312.395 -0.148 20 0 DBADRM O=C([O-])CCNC(=O)CN1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001602022326 1017924866 /nfs/dbraw/zinc/92/48/66/1017924866.db2.gz ULBSUMRLGNHMLE-CHWSQXEVSA-N -1 0 308.334 -0.299 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@@H]1CCC[C@@H]1CO ZINC001602020980 1017925259 /nfs/dbraw/zinc/92/52/59/1017925259.db2.gz YAGJQONGVILWJA-NXEZZACHSA-N -1 0 301.343 -0.572 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCCNC(=O)c2ccn[nH]2)O1 ZINC001602035716 1017926316 /nfs/dbraw/zinc/92/63/16/1017926316.db2.gz VHTMWPQFIDADJY-GXSJLCMTSA-N -1 0 324.337 -0.332 20 0 DBADRM O=C([O-])CC[C@H]1NC(=O)N(CCCO[C@@H]2CCOC2)C1=O ZINC001602039262 1017926772 /nfs/dbraw/zinc/92/67/72/1017926772.db2.gz QHNHOVIWEZXLQA-NXEZZACHSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])CC[C@H]1NC(=O)N(CC2(N3CCOCC3)CC2)C1=O ZINC001602036733 1017927327 /nfs/dbraw/zinc/92/73/27/1017927327.db2.gz BQKVKGZKROZHCN-SNVBAGLBSA-N -1 0 311.338 -0.364 20 0 DBADRM O=C([O-])CCSCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001602028955 1017927993 /nfs/dbraw/zinc/92/79/93/1017927993.db2.gz VJUCSBCFHCRYCI-SSDOTTSWSA-N -1 0 303.340 -0.701 20 0 DBADRM O=C([O-])CCc1nnn(CCNC(=O)OCC(F)(F)F)n1 ZINC001602049297 1017928879 /nfs/dbraw/zinc/92/88/79/1017928879.db2.gz WXVCZIBJTZPHNO-UHFFFAOYSA-N -1 0 311.220 -0.021 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCc2cc(=O)[nH]c(=O)[nH]2)O1 ZINC001602035446 1017929073 /nfs/dbraw/zinc/92/90/73/1017929073.db2.gz FATSGJHNRHQHBS-DTWKUNHWSA-N -1 0 311.294 -0.084 20 0 DBADRM O=C([O-])CN1CCN(C(=O)c2cnc3nccnc3c2)CC1 ZINC001602060661 1017931238 /nfs/dbraw/zinc/93/12/38/1017931238.db2.gz HIPPYGAOEBMIEQ-UHFFFAOYSA-N -1 0 301.306 -0.133 20 0 DBADRM O=C([O-])CN1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1 ZINC001602062548 1017932953 /nfs/dbraw/zinc/93/29/53/1017932953.db2.gz PNXRVNNSXROZPE-UHFFFAOYSA-N -1 0 319.365 -0.081 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)c1nccn2cnnc12 ZINC001602056287 1017933709 /nfs/dbraw/zinc/93/37/09/1017933709.db2.gz QRVNBKQHRYVPQL-UHFFFAOYSA-N -1 0 306.326 -0.653 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)CCC1CC1 ZINC001602055190 1017933851 /nfs/dbraw/zinc/93/38/51/1017933851.db2.gz HERRUXKBTUIBNT-UHFFFAOYSA-N -1 0 320.411 -0.165 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)CCCCc1c[nH]nn1 ZINC001602064424 1017934533 /nfs/dbraw/zinc/93/45/33/1017934533.db2.gz UOOCDIBBMXKVIC-NSHDSACASA-N -1 0 323.353 -0.291 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CCCn2ncnc21 ZINC001602064475 1017934916 /nfs/dbraw/zinc/93/49/16/1017934916.db2.gz WPBLXBHYFDUUEL-VHSXEESVSA-N -1 0 321.337 -0.653 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001602064410 1017935989 /nfs/dbraw/zinc/93/59/89/1017935989.db2.gz UCOPBDDGXSOQMS-SKDRFNHKSA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccnc(F)c1 ZINC001602064646 1017937733 /nfs/dbraw/zinc/93/77/33/1017937733.db2.gz DAHFIFCJPARTNS-JTQLQIEISA-N -1 0 309.297 -0.045 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1S(=O)(=O)C[C@@H]1CCOC1 ZINC001602067108 1017938465 /nfs/dbraw/zinc/93/84/65/1017938465.db2.gz GCEBKPOHZDSGCL-ZJUUUORDSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cnc2c[nH]nc2c1 ZINC001602067613 1017939591 /nfs/dbraw/zinc/93/95/91/1017939591.db2.gz VQSUDCULZXJZSL-NSHDSACASA-N -1 0 317.305 -0.237 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)C[C@@H]1COc2ccccc2O1 ZINC001602069094 1017939908 /nfs/dbraw/zinc/93/99/08/1017939908.db2.gz JWFDHXKCLQCJSK-SECBINFHSA-N -1 0 308.290 -0.467 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C[C@H]1CCS(=O)(=O)C1 ZINC001602067729 1017940884 /nfs/dbraw/zinc/94/08/84/1017940884.db2.gz KLRCFBQCQTWCIJ-NXEZZACHSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC001602069218 1017941710 /nfs/dbraw/zinc/94/17/10/1017941710.db2.gz ROAYYIGADFACRZ-VIFPVBQESA-N -1 0 310.281 -0.306 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1CC(=O)Nc1ccccn1 ZINC001602069012 1017942065 /nfs/dbraw/zinc/94/20/65/1017942065.db2.gz ZBVCUIBGYSJGMF-SNVBAGLBSA-N -1 0 306.322 -0.315 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1CCCN1c1nccs1 ZINC001602070676 1017943738 /nfs/dbraw/zinc/94/37/38/1017943738.db2.gz STJQYQQASDJWAS-QMMMGPOBSA-N -1 0 313.335 -0.144 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001602069548 1017944140 /nfs/dbraw/zinc/94/41/40/1017944140.db2.gz NYPXAZPUHNVJLT-UHFFFAOYSA-N -1 0 309.303 -0.480 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC001602069883 1017944941 /nfs/dbraw/zinc/94/49/41/1017944941.db2.gz KSHSPBVWLYMLSU-GFCCVEGCSA-N -1 0 322.317 -0.215 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cnc([C@@H]2CCCO2)s1 ZINC001602069852 1017945354 /nfs/dbraw/zinc/94/53/54/1017945354.db2.gz IYEPOHVOUOGMCS-ZETCQYMHSA-N -1 0 313.335 -0.075 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccc(Cn2ccnn2)c1 ZINC001602070162 1017945385 /nfs/dbraw/zinc/94/53/85/1017945385.db2.gz WPTZCMXPDABUDK-UHFFFAOYSA-N -1 0 317.305 -0.743 20 0 DBADRM O=C([O-])CNC(=O)CNC1CN(C(=O)OCc2ccccc2)C1 ZINC001602070752 1017945873 /nfs/dbraw/zinc/94/58/73/1017945873.db2.gz GZCHFKYMTJUBSJ-UHFFFAOYSA-N -1 0 321.333 -0.202 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)NOCCO)cc1 ZINC001602073414 1017946109 /nfs/dbraw/zinc/94/61/09/1017946109.db2.gz XTHQKDMEEYZFHG-UHFFFAOYSA-N -1 0 311.294 -0.525 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC001602077641 1017947108 /nfs/dbraw/zinc/94/71/08/1017947108.db2.gz GISWTCAZZRCDGC-UHFFFAOYSA-N -1 0 321.289 -0.663 20 0 DBADRM O=C([O-])COCCNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001602077971 1017947923 /nfs/dbraw/zinc/94/79/23/1017947923.db2.gz PAUPCACBGWRNRA-NWDGAFQWSA-N -1 0 323.305 -0.825 20 0 DBADRM O=C([O-])COCCNC(=O)CNC(=O)OCC(F)(F)F ZINC001602078841 1017948139 /nfs/dbraw/zinc/94/81/39/1017948139.db2.gz SMNQXCJBJLZAKL-UHFFFAOYSA-N -1 0 302.205 -0.508 20 0 DBADRM O=C([O-])COCCNC(=O)c1ccc2c(c1)C(=O)NCCO2 ZINC001602079416 1017948522 /nfs/dbraw/zinc/94/85/22/1017948522.db2.gz YMZSBQXPXVSIEY-UHFFFAOYSA-N -1 0 308.290 -0.360 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1ccc2c(c1)CCOC2 ZINC001602077730 1017949271 /nfs/dbraw/zinc/94/92/71/1017949271.db2.gz IAQXLWNJXOPXHM-UHFFFAOYSA-N -1 0 322.317 -0.085 20 0 DBADRM O=C([O-])COCCNC(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001602079161 1017949602 /nfs/dbraw/zinc/94/96/02/1017949602.db2.gz JNZLIWCWSAFFTN-UHFFFAOYSA-N -1 0 321.289 -0.801 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC001602077711 1017949763 /nfs/dbraw/zinc/94/97/63/1017949763.db2.gz HEWVEJUVYSTANJ-UHFFFAOYSA-N -1 0 310.310 -0.625 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC001602090707 1017951306 /nfs/dbraw/zinc/95/13/06/1017951306.db2.gz KAGYPHKHJZLJII-PHIMTYICSA-N -1 0 318.285 -0.505 20 0 DBADRM O=C([O-])COCCNC(=O)NCC[S@](=O)CC(F)(F)F ZINC001602079705 1017951503 /nfs/dbraw/zinc/95/15/03/1017951503.db2.gz GUELPRWKEITDHT-FQEVSTJZSA-N -1 0 320.289 -0.302 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1c[nH]c2ncncc12 ZINC001602080886 1017951923 /nfs/dbraw/zinc/95/19/23/1017951923.db2.gz ZQFCTBLHKSDEHN-UHFFFAOYSA-N -1 0 300.296 -0.711 20 0 DBADRM O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)CO)cc1 ZINC001602097819 1017953885 /nfs/dbraw/zinc/95/38/85/1017953885.db2.gz CUYFAMYYFNAZBP-UHFFFAOYSA-N -1 0 301.320 -0.706 20 0 DBADRM O=C([O-])COCCNC(=O)NCc1nnc(-c2ccncc2)[nH]1 ZINC001602079664 1017954772 /nfs/dbraw/zinc/95/47/72/1017954772.db2.gz BVZJGIHGMVXASJ-UHFFFAOYSA-N -1 0 320.309 -0.233 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001602109713 1017955452 /nfs/dbraw/zinc/95/54/52/1017955452.db2.gz DBVIBJZXFWEAJJ-ZJUUUORDSA-N -1 0 309.322 -0.314 20 0 DBADRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001602114874 1017956370 /nfs/dbraw/zinc/95/63/70/1017956370.db2.gz XEKYVOGDQGULJV-QWRGUYRKSA-N -1 0 319.317 -0.213 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)NCCOCCCO)cc1 ZINC001602132774 1017956712 /nfs/dbraw/zinc/95/67/12/1017956712.db2.gz DNHRAXGGZXFHDS-UHFFFAOYSA-N -1 0 317.363 -0.009 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)NCC(=O)NC2CC2)cc1 ZINC001602121337 1017956747 /nfs/dbraw/zinc/95/67/47/1017956747.db2.gz COJYMFGJZTTZGL-UHFFFAOYSA-N -1 0 319.317 -0.353 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)Cn2ccc(=O)[nH]c2=O)n1 ZINC001602135659 1017957138 /nfs/dbraw/zinc/95/71/38/1017957138.db2.gz CZIRQXFTYMBGCL-UHFFFAOYSA-N -1 0 304.262 -0.390 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)NCC2(CO)COC2)cc1 ZINC001602122576 1017957586 /nfs/dbraw/zinc/95/75/86/1017957586.db2.gz SRHGZYXHTPPCMD-UHFFFAOYSA-N -1 0 322.317 -0.623 20 0 DBADRM O=C([O-])Cc1occc1C(=O)N1CCS(=O)(=O)CCO1 ZINC001602156945 1017958948 /nfs/dbraw/zinc/95/89/48/1017958948.db2.gz LRZBIBXIDYIZSH-UHFFFAOYSA-N -1 0 303.292 -0.291 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)NC[C@@H]2CCC(=O)N2)c1 ZINC001602142846 1017959709 /nfs/dbraw/zinc/95/97/09/1017959709.db2.gz DDCLXAWQKQBYKB-JTQLQIEISA-N -1 0 312.347 -0.129 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)C(=O)N1CCC[C@@H](O)C1 ZINC001602142529 1017959928 /nfs/dbraw/zinc/95/99/28/1017959928.db2.gz AWSUTICFGKEXMB-CYBMUJFWSA-N -1 0 320.345 -0.087 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)n1 ZINC001602152160 1017960589 /nfs/dbraw/zinc/96/05/89/1017960589.db2.gz OSFRJSKFZUEMKT-KNVOCYPGSA-N -1 0 324.318 -0.494 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)C2(N3CCOCC3)CCC2)n[nH]1 ZINC001602154552 1017961871 /nfs/dbraw/zinc/96/18/71/1017961871.db2.gz OBBWISVBONUQBF-UHFFFAOYSA-N -1 0 309.326 -0.375 20 0 DBADRM O=C([O-])Cn1cc(CN2C[C@@H](O)CC3(CCOCC3)C2)nn1 ZINC001602160794 1017963143 /nfs/dbraw/zinc/96/31/43/1017963143.db2.gz FNRJPMNFZYTBKI-LBPRGKRZSA-N -1 0 310.354 -0.274 20 0 DBADRM O=C([O-])Cn1cc(CN2CCC[C@@H](N3CCCC3=O)C2)nn1 ZINC001602163149 1017963277 /nfs/dbraw/zinc/96/32/77/1017963277.db2.gz YMHMMDBIOVVNKU-GFCCVEGCSA-N -1 0 307.354 -0.051 20 0 DBADRM O=C([O-])Cn1cc(CN2CCOC[C@@H]2[C@H]2CCCC2=O)nn1 ZINC001602162924 1017963687 /nfs/dbraw/zinc/96/36/87/1017963687.db2.gz OOLOORLDEYUHFO-VXGBXAGGSA-N -1 0 308.338 -0.067 20 0 DBADRM O=C([O-])Cn1cc(CCCOC(=O)C[C@@H]2CCC(=O)NC2)nn1 ZINC001602159196 1017964472 /nfs/dbraw/zinc/96/44/72/1017964472.db2.gz FGFXXHAHGMVCBH-JTQLQIEISA-N -1 0 324.337 -0.245 20 0 DBADRM O=C([O-])Cn1cc(CN2CCOC[C@@H]2[C@@H]2CCCC2=O)nn1 ZINC001602162922 1017965545 /nfs/dbraw/zinc/96/55/45/1017965545.db2.gz OOLOORLDEYUHFO-NWDGAFQWSA-N -1 0 308.338 -0.067 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@@H](O)[C@H](F)C2)cn1 ZINC001602163356 1017966562 /nfs/dbraw/zinc/96/65/62/1017966562.db2.gz JNGIQWBYMRBQQD-RKDXNWHRSA-N -1 0 307.303 -0.939 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(C[C@@]1(O)CCCOC1)c2=O ZINC001602166964 1017967335 /nfs/dbraw/zinc/96/73/35/1017967335.db2.gz FFYIIEFJYCXDTL-ZDUSSCGKSA-N -1 0 308.294 -0.781 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2CCn3ccnc32)cn1 ZINC001602164146 1017967599 /nfs/dbraw/zinc/96/75/99/1017967599.db2.gz SQPLBMBBNAVEND-SECBINFHSA-N -1 0 311.323 -0.413 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001602170415 1017968144 /nfs/dbraw/zinc/96/81/44/1017968144.db2.gz WOMTXHFDVPGVCI-BDAKNGLRSA-N -1 0 317.317 -0.918 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(C[C@]1(O)CCCOC1)c2=O ZINC001602166963 1017968256 /nfs/dbraw/zinc/96/82/56/1017968256.db2.gz FFYIIEFJYCXDTL-CYBMUJFWSA-N -1 0 308.294 -0.781 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCC2(CO)CCC2)cn1 ZINC001602164063 1017968648 /nfs/dbraw/zinc/96/86/48/1017968648.db2.gz OPPNTAVGNFCMKX-UHFFFAOYSA-N -1 0 317.367 -0.201 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(C[C@@H]1C[C@@H]3COC[C@@H]3O1)c2=O ZINC001602167451 1017969135 /nfs/dbraw/zinc/96/91/35/1017969135.db2.gz RRGVXBOEMXYAGW-YWVKMMECSA-N -1 0 320.305 -0.519 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CCOCC(F)F)c2=O ZINC001602167407 1017969460 /nfs/dbraw/zinc/96/94/60/1017969460.db2.gz OUJHBNKJJLTVCD-UHFFFAOYSA-N -1 0 302.237 -0.041 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)c2ccc3n[nH]c(=O)n3c2)cn1 ZINC001602163847 1017969890 /nfs/dbraw/zinc/96/98/90/1017969890.db2.gz TYAZRHYQDCCHSY-UHFFFAOYSA-N -1 0 302.250 -0.032 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC2CC(CCO)C2)cn1 ZINC001602163769 1017969906 /nfs/dbraw/zinc/96/99/06/1017969906.db2.gz GXBQKCXMYOBKRC-UHFFFAOYSA-N -1 0 303.340 -0.593 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001602169852 1017970612 /nfs/dbraw/zinc/97/06/12/1017970612.db2.gz MSPCKODHODLHKK-QWRGUYRKSA-N -1 0 303.334 -0.085 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)c2cn(C[C@H]3CCOC3)nn2)n1 ZINC001602166911 1017970650 /nfs/dbraw/zinc/97/06/50/1017970650.db2.gz MHRLUVITHAHTNJ-SECBINFHSA-N -1 0 320.309 -0.152 20 0 DBADRM O=C([O-])[C@@H](F)CNS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC001602170597 1017971260 /nfs/dbraw/zinc/97/12/60/1017971260.db2.gz IKWWQUAFHSMFAV-VIFPVBQESA-N -1 0 315.286 -0.637 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CCCN1C(=O)CNC1=O ZINC001602196336 1017972443 /nfs/dbraw/zinc/97/24/43/1017972443.db2.gz CGFSQGJDYRSZNL-YUMQZZPRSA-N -1 0 301.274 -0.658 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1nc2ncc(CCO)cn2n1 ZINC001602197141 1017972917 /nfs/dbraw/zinc/97/29/17/1017972917.db2.gz PUKKWTUUPNUWLC-IUCAKERBSA-N -1 0 323.284 -0.704 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC001602196864 1017973284 /nfs/dbraw/zinc/97/32/84/1017973284.db2.gz QSQNEPORPLELMO-XVKPBYJWSA-N -1 0 321.264 -0.146 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC001602195216 1017973576 /nfs/dbraw/zinc/97/35/76/1017973576.db2.gz YYXWQMIAUZPOTA-OUAUKWLOSA-N -1 0 310.354 -0.094 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001602195001 1017973735 /nfs/dbraw/zinc/97/37/35/1017973735.db2.gz UQJCAXBKMSHLEA-LNFKQOIKSA-N -1 0 316.379 -0.217 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2nc3n(n2)CCCN3)C[C@H]1C1CC1 ZINC001602187464 1017973804 /nfs/dbraw/zinc/97/38/04/1017973804.db2.gz CHDUKJFAALUJRU-VHSXEESVSA-N -1 0 305.338 -0.466 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)Cc1nnc(C2CCOCC2)[nH]1 ZINC001602190905 1017974453 /nfs/dbraw/zinc/97/44/53/1017974453.db2.gz PVMPVEXUGLUKAQ-ZJUUUORDSA-N -1 0 324.337 -0.712 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C2CC2)C(=O)C1 ZINC001602200810 1017975495 /nfs/dbraw/zinc/97/54/95/1017975495.db2.gz CSSORZQSAMJWMH-BXKDBHETSA-N -1 0 311.338 -0.508 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)[C@@H]1CC12CC2 ZINC001602197694 1017976697 /nfs/dbraw/zinc/97/66/97/1017976697.db2.gz MKYRTRULZKUGGI-CIUDSAMLSA-N -1 0 307.306 -0.608 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC001602202490 1017977633 /nfs/dbraw/zinc/97/76/33/1017977633.db2.gz DGTLYUNMIXZIJC-NWDGAFQWSA-N -1 0 314.363 -0.203 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N([C@H]2CCN(CC(F)F)C2)C1=O ZINC001602199609 1017977780 /nfs/dbraw/zinc/97/77/80/1017977780.db2.gz HZZSLFDMOQNRDF-OKJYPTKPSA-N -1 0 317.292 -0.033 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N(CCOC2CCOCC2)C1=O ZINC001602198699 1017978336 /nfs/dbraw/zinc/97/83/36/1017978336.db2.gz QMFXOJQGMZDUTR-MXWKQRLJSA-N -1 0 312.322 -0.177 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)no1 ZINC001602245144 1017981088 /nfs/dbraw/zinc/98/10/88/1017981088.db2.gz LDYMNPSCFOOSDI-SFYZADRCSA-N -1 0 314.319 -0.121 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@]23COC(=O)N2CCOC3)on1 ZINC001602246679 1017981648 /nfs/dbraw/zinc/98/16/48/1017981648.db2.gz MRSZKKJNNNRJSF-LBPRGKRZSA-N -1 0 311.250 -0.676 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)no1 ZINC001602245142 1017982364 /nfs/dbraw/zinc/98/23/64/1017982364.db2.gz LDYMNPSCFOOSDI-HTQZYQBOSA-N -1 0 314.319 -0.121 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCC3(C2)OCCO3)n[nH]1 ZINC001602294531 1017985040 /nfs/dbraw/zinc/98/50/40/1017985040.db2.gz KBBDFUKMYDPWRR-SSDOTTSWSA-N -1 0 317.323 -0.318 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@H](CO)[C@H](CCO)C2)c[nH]1 ZINC001602288823 1017986032 /nfs/dbraw/zinc/98/60/32/1017986032.db2.gz KPNRISDKNDVYTB-RKDXNWHRSA-N -1 0 318.351 -0.676 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H](O)[C@H]2CCCO2)c[nH]1 ZINC001602294681 1017986236 /nfs/dbraw/zinc/98/62/36/1017986236.db2.gz WTUWNWJVQZDDRS-VHSXEESVSA-N -1 0 304.324 -0.469 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CC[C@H](CO)CC2)n[nH]1 ZINC001602297113 1017987359 /nfs/dbraw/zinc/98/73/59/1017987359.db2.gz DSTLRTOOFISJLX-ZKCHVHJHSA-N -1 0 303.340 -0.063 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)N1C[C@H](O)C[C@H]1CO ZINC001602305338 1017987893 /nfs/dbraw/zinc/98/78/93/1017987893.db2.gz CMVAWYMVRYDCBZ-IVZWLZJFSA-N -1 0 324.337 -0.447 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN(c3nc[nH]n3)CC2)nc1 ZINC001602319192 1017987918 /nfs/dbraw/zinc/98/79/18/1017987918.db2.gz RSHZGBNIGZMASD-UHFFFAOYSA-N -1 0 302.294 -0.140 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@H](CO)[C@@H](O)c2ccccn2)nc1 ZINC001602321054 1017988256 /nfs/dbraw/zinc/98/82/56/1017988256.db2.gz PCQIZBKPZDWPSR-OLZOCXBDSA-N -1 0 317.301 -0.001 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC(O)(COCCO)CC2)nc1 ZINC001602317174 1017988644 /nfs/dbraw/zinc/98/86/44/1017988644.db2.gz QTGUVCWUIUGXOL-UHFFFAOYSA-N -1 0 324.333 -0.244 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCO[C@@H]2CCOC2)c[nH]1 ZINC001602295877 1017988800 /nfs/dbraw/zinc/98/88/00/1017988800.db2.gz BNKJSKUCXAYPRE-MRVPVSSYSA-N -1 0 304.324 -0.203 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)cn1 ZINC001602318760 1017988885 /nfs/dbraw/zinc/98/88/85/1017988885.db2.gz OKAMTXDWNGDXNR-RYUDHWBXSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1ccc(=O)n(CC(=O)N2CCC3(CC2)OCCO3)c1 ZINC001602313075 1017989167 /nfs/dbraw/zinc/98/91/67/1017989167.db2.gz GRFJCXAUINFVQU-UHFFFAOYSA-N -1 0 322.317 -0.088 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)cn1 ZINC001602318759 1017989692 /nfs/dbraw/zinc/98/96/92/1017989692.db2.gz OKAMTXDWNGDXNR-NWDGAFQWSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1csc(S(=O)(=O)N2C[C@H](O)C[C@H](O)C2)c1 ZINC001602562779 1018017945 /nfs/dbraw/zinc/01/79/45/1018017945.db2.gz ACHNUTGRANIRCG-OCAPTIKFSA-N -1 0 307.349 -0.438 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC001602320449 1017990075 /nfs/dbraw/zinc/99/00/75/1017990075.db2.gz WITWNWUYLJKWFE-NEPJUHHUSA-N -1 0 324.358 -0.404 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)nc1 ZINC001602341543 1017991534 /nfs/dbraw/zinc/99/15/34/1017991534.db2.gz FGHIOXSMELFLLU-SECBINFHSA-N -1 0 317.305 -0.044 20 0 DBADRM O=C([O-])c1cccc(C(=O)NCc2nnc3n2CCOC3)n1 ZINC001602433186 1017992868 /nfs/dbraw/zinc/99/28/68/1017992868.db2.gz FWFDFPCBFFEDDA-UHFFFAOYSA-N -1 0 303.278 -0.169 20 0 DBADRM O=C([O-])c1ccc2c(n1)CN(C(=O)C1(n3cnnn3)CC1)CC2 ZINC001602426406 1017996210 /nfs/dbraw/zinc/99/62/10/1017996210.db2.gz ATZPTUSNYGQPKL-UHFFFAOYSA-N -1 0 314.305 -0.160 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2C[C@H](O)CC(F)(F)C2)c1=O ZINC001602476167 1017998278 /nfs/dbraw/zinc/99/82/78/1017998278.db2.gz QUOKMBXSQZXXQV-MRVPVSSYSA-N -1 0 316.260 -0.225 20 0 DBADRM O=C([O-])c1cccc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)n1 ZINC001602433396 1017999210 /nfs/dbraw/zinc/99/92/10/1017999210.db2.gz NWODUEVINWOLJW-GFCCVEGCSA-N -1 0 314.319 -0.941 20 0 DBADRM O=C([O-])c1ccccc1C(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001602464848 1017999380 /nfs/dbraw/zinc/99/93/80/1017999380.db2.gz JJBDZCYUHLZYKH-INIZCTEOSA-N -1 0 320.345 -0.096 20 0 DBADRM O=C([O-])c1ccccc1CS(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC001602471666 1017999413 /nfs/dbraw/zinc/99/94/13/1017999413.db2.gz VKKDYBYRVLBWRF-VXGBXAGGSA-N -1 0 315.347 -0.046 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)n1 ZINC001602476368 1017999908 /nfs/dbraw/zinc/99/99/08/1017999908.db2.gz ABORQEBTDSQHNG-WZRBSPASSA-N -1 0 323.349 -0.030 20 0 DBADRM O=C([O-])c1cccc(NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)n1 ZINC001602444675 1018000896 /nfs/dbraw/zinc/00/08/96/1018000896.db2.gz QFMIUSFUWZTWSS-QMMMGPOBSA-N -1 0 319.277 -0.452 20 0 DBADRM O=C([O-])c1ccncc1OS(=O)(=O)CCN1CCOC1=O ZINC001602486873 1018002033 /nfs/dbraw/zinc/00/20/33/1018002033.db2.gz VDGCEVPOFQCNET-UHFFFAOYSA-N -1 0 316.291 -0.059 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCO[C@]3(CCCOC3)C2)n1 ZINC001602477385 1018002780 /nfs/dbraw/zinc/00/27/80/1018002780.db2.gz RBTLPDBBVNDFDH-CQSZACIVSA-N -1 0 309.322 -0.011 20 0 DBADRM O=C([O-])c1cn(C2CN(S(=O)(=O)CCCCF)C2)nn1 ZINC001602501742 1018004251 /nfs/dbraw/zinc/00/42/51/1018004251.db2.gz UPISQIYAXVLKQH-UHFFFAOYSA-N -1 0 306.319 -0.088 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)NCc3cccnn3)C2)nn1 ZINC001602499967 1018004289 /nfs/dbraw/zinc/00/42/89/1018004289.db2.gz WEULFOCFCMZETL-JTQLQIEISA-N -1 0 317.309 -0.077 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)CCc3nnc[nH]3)C2)nn1 ZINC001602493123 1018004350 /nfs/dbraw/zinc/00/43/50/1018004350.db2.gz QZEQSAUMWYHXFP-QMMMGPOBSA-N -1 0 305.298 -0.499 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)[C@@H]3CCNC3=O)CC2)nn1 ZINC001602493490 1018005225 /nfs/dbraw/zinc/00/52/25/1018005225.db2.gz VPIVTLFLKZIWSS-SECBINFHSA-N -1 0 307.310 -0.724 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)nn1 ZINC001602501976 1018005241 /nfs/dbraw/zinc/00/52/41/1018005241.db2.gz LEQIBLCMNHDUML-QMMMGPOBSA-N -1 0 316.321 -0.112 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(CN3CC4(COC4)CC3=O)C2)nn1 ZINC001602498829 1018005293 /nfs/dbraw/zinc/00/52/93/1018005293.db2.gz GBQHRZZDLKESNA-JTQLQIEISA-N -1 0 321.337 -0.571 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)CCc3cn[nH]n3)C2)nn1 ZINC001602494063 1018005984 /nfs/dbraw/zinc/00/59/84/1018005984.db2.gz QHQIUONAEUKNLD-SNVBAGLBSA-N -1 0 319.325 -0.109 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(CC(=O)N3CCOCC3)C2)nn1 ZINC001602495209 1018006044 /nfs/dbraw/zinc/00/60/44/1018006044.db2.gz PMVBVXWOPOQCGE-LLVKDONJSA-N -1 0 323.353 -0.528 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(S(=O)(=O)CCCF)C2)nn1 ZINC001602500759 1018006759 /nfs/dbraw/zinc/00/67/59/1018006759.db2.gz QBRXRHPVUYHEMH-QMMMGPOBSA-N -1 0 306.319 -0.088 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)NCCn3ccnc3)C2)nn1 ZINC001602497678 1018006807 /nfs/dbraw/zinc/00/68/07/1018006807.db2.gz BAZFMXHVJRBHDU-JTQLQIEISA-N -1 0 319.325 -0.171 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@H]2CCc3nc[nH]c3C2)nn1 ZINC001602502951 1018007425 /nfs/dbraw/zinc/00/74/25/1018007425.db2.gz APBUSBWLJFKKDI-QMMMGPOBSA-N -1 0 304.310 -0.379 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@@H]3COC[C@H]3C2)nn1 ZINC001602503585 1018007576 /nfs/dbraw/zinc/00/75/76/1018007576.db2.gz MVIDUPCOJFFEDV-NXEZZACHSA-N -1 0 309.326 -0.346 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2ccnn2CC(F)F)nn1 ZINC001602502809 1018007748 /nfs/dbraw/zinc/00/77/48/1018007748.db2.gz JNTPLDCEIGVYMV-UHFFFAOYSA-N -1 0 314.252 -0.132 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCC(C3(O)CC3)CC2)nn1 ZINC001602503569 1018008422 /nfs/dbraw/zinc/00/84/22/1018008422.db2.gz MBNRYRPZKCSFKS-UHFFFAOYSA-N -1 0 323.353 -0.077 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC(O[C@H]3CCOC3)CC2)nn1 ZINC001602503162 1018009073 /nfs/dbraw/zinc/00/90/73/1018009073.db2.gz UZYWRZORGCDNRF-NSHDSACASA-N -1 0 324.337 -0.227 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cn1 ZINC001602508886 1018009800 /nfs/dbraw/zinc/00/98/00/1018009800.db2.gz XWIHEVVCRFQNIJ-SSDOTTSWSA-N -1 0 303.282 -0.292 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@@H](O)COCC1CC1 ZINC001602506618 1018009885 /nfs/dbraw/zinc/00/98/85/1018009885.db2.gz HQHHCYIMAAUQNU-MRVPVSSYSA-N -1 0 319.339 -0.826 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCN3C(=O)OCC[C@@H]3C2)cn1 ZINC001602507547 1018009995 /nfs/dbraw/zinc/00/99/95/1018009995.db2.gz LLCRVZOSVKPTCG-MRVPVSSYSA-N -1 0 306.278 -0.159 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)cn1 ZINC001602507762 1018010322 /nfs/dbraw/zinc/01/03/22/1018010322.db2.gz VUCUFWSIGZYDBS-UHFFFAOYSA-N -1 0 317.309 -0.749 20 0 DBADRM O=C([O-])c1cn(CCOC(=O)[C@@H]2CCCN2C(=O)C2CC2)nn1 ZINC001602505037 1018010764 /nfs/dbraw/zinc/01/07/64/1018010764.db2.gz XASOQNRZAUAEQG-NSHDSACASA-N -1 0 322.321 -0.080 20 0 DBADRM O=C([O-])c1cn(CCOC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)nn1 ZINC001602504570 1018011061 /nfs/dbraw/zinc/01/10/61/1018011061.db2.gz MCTHUBWDWKCPOJ-PBINXNQUSA-N -1 0 323.305 -0.239 20 0 DBADRM O=C([O-])c1cnc(C(=O)Nc2ccc(=O)n(CCO)c2)cn1 ZINC001602508951 1018011176 /nfs/dbraw/zinc/01/11/76/1018011176.db2.gz FYCYIAMEAXMMBS-UHFFFAOYSA-N -1 0 304.262 -0.419 20 0 DBADRM O=C([O-])c1cnc(CN2CCO[C@H](Cn3ccnn3)C2)cn1 ZINC001602520785 1018011994 /nfs/dbraw/zinc/01/19/94/1018011994.db2.gz YTTRTAHCPQRBCG-NSHDSACASA-N -1 0 304.310 -0.333 20 0 DBADRM O=C([O-])c1cnc(NCC2(O)CCS(=O)(=O)CC2)cn1 ZINC001602528928 1018012332 /nfs/dbraw/zinc/01/23/32/1018012332.db2.gz BRWDIQLYMNAZTK-UHFFFAOYSA-N -1 0 301.324 -0.474 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)[C@@H]2CC23CC3)nc1 ZINC001602529588 1018012955 /nfs/dbraw/zinc/01/29/55/1018012955.db2.gz GOWCJLKBPZRZQV-UWVGGRQHSA-N -1 0 306.322 -0.136 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)nc1 ZINC001602527684 1018013380 /nfs/dbraw/zinc/01/33/80/1018013380.db2.gz ANLYNJFNKCQMEP-UWVGGRQHSA-N -1 0 319.321 -0.994 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)[C@H]2CC2(F)F)nc1 ZINC001602530317 1018013766 /nfs/dbraw/zinc/01/37/66/1018013766.db2.gz QBEBEMSBXUCRGA-HTQZYQBOSA-N -1 0 316.264 -0.281 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)[C@H]3CCOC3)C2)nc1 ZINC001602527126 1018013934 /nfs/dbraw/zinc/01/39/34/1018013934.db2.gz NAQFBCOGIKWADW-GXSJLCMTSA-N -1 0 306.322 -0.094 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)nc1 ZINC001602527739 1018014055 /nfs/dbraw/zinc/01/40/55/1018014055.db2.gz DPLFFEOFJCSKTQ-GHMZBOCLSA-N -1 0 317.305 -0.518 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)[C@H]2CC2(F)F)nc1 ZINC001602529558 1018014071 /nfs/dbraw/zinc/01/40/71/1018014071.db2.gz GGLHHNOPLPBYDS-HTQZYQBOSA-N -1 0 316.264 -0.281 20 0 DBADRM O=C([O-])c1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCOC2)nc1 ZINC001602528542 1018014659 /nfs/dbraw/zinc/01/46/59/1018014659.db2.gz SUFFMMGSYDJZBW-OHBODLIOSA-N -1 0 318.333 -0.238 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)C3CC3)[C@H](O)C2)nc1 ZINC001602526089 1018014692 /nfs/dbraw/zinc/01/46/92/1018014692.db2.gz XFXQZKPGWZJXRS-GHMZBOCLSA-N -1 0 306.322 -0.359 20 0 DBADRM O=C([O-])c1cncc(NCC2(O)CCS(=O)(=O)CC2)n1 ZINC001602540712 1018015772 /nfs/dbraw/zinc/01/57/72/1018015772.db2.gz XYQPNVORNNFFJE-UHFFFAOYSA-N -1 0 301.324 -0.474 20 0 DBADRM O=C([O-])c1cnc(NCCN(CCO)C(=O)c2cc[nH]n2)nc1 ZINC001602532609 1018016522 /nfs/dbraw/zinc/01/65/22/1018016522.db2.gz ZALGYVYRXWVIBT-UHFFFAOYSA-N -1 0 320.309 -0.556 20 0 DBADRM O=C([O-])c1cncnc1N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001602545030 1018016851 /nfs/dbraw/zinc/01/68/51/1018016851.db2.gz ATVGCGBHHJZAKA-LBPRGKRZSA-N -1 0 313.335 -0.431 20 0 DBADRM O=C([O-])c1nc(Cl)n(CC(=O)[C@@H]2CCS(=O)(=O)C2)n1 ZINC001602569506 1018017538 /nfs/dbraw/zinc/01/75/38/1018017538.db2.gz IEEIEAVAGSKDGR-RXMQYKEDSA-N -1 0 307.715 -0.367 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)[C@@H]2CC23CCOCC3)n1 ZINC001602573059 1018017589 /nfs/dbraw/zinc/01/75/89/1018017589.db2.gz FHJYUVJVBCYVCN-JTQLQIEISA-N -1 0 320.349 -0.059 20 0 DBADRM O=C([O-])c1nccc(N2CCN(C(=O)C3=COCCO3)CC2)n1 ZINC001602571725 1018017762 /nfs/dbraw/zinc/01/77/62/1018017762.db2.gz IJUDDHFATAHMEV-UHFFFAOYSA-N -1 0 320.305 -0.288 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 ZINC001602572652 1018017799 /nfs/dbraw/zinc/01/77/99/1018017799.db2.gz VYVJFGRXXZLWMZ-DTWKUNHWSA-N -1 0 319.321 -0.994 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC001602559040 1018018320 /nfs/dbraw/zinc/01/83/20/1018018320.db2.gz VQZYGWWFXVNVNB-SNVBAGLBSA-N -1 0 316.335 -0.317 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)n1 ZINC001602572653 1018018603 /nfs/dbraw/zinc/01/86/03/1018018603.db2.gz VYVJFGRXXZLWMZ-IUCAKERBSA-N -1 0 319.321 -0.994 20 0 DBADRM O=C([O-])c1nccc(NCCN(CCO)C(=O)c2ccoc2)n1 ZINC001602573073 1018019033 /nfs/dbraw/zinc/01/90/33/1018019033.db2.gz FUBWMFOBNCAIQG-UHFFFAOYSA-N -1 0 320.305 -0.264 20 0 DBADRM O=C([O-])c1coc(CN2CCN3[C@H](CNS3(=O)=O)C2)c1 ZINC001602551808 1018019238 /nfs/dbraw/zinc/01/92/38/1018019238.db2.gz SCYRLPRQSUVCJD-SECBINFHSA-N -1 0 301.324 -0.688 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)NC[C@H](CO)[C@H]2CCOC2)c1 ZINC001602556641 1018019388 /nfs/dbraw/zinc/01/93/88/1018019388.db2.gz JXXQGIMMOHQXGQ-WCBMZHEXSA-N -1 0 319.335 -0.099 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)C3CC3)[C@@H](O)C2)n1 ZINC001602572051 1018019484 /nfs/dbraw/zinc/01/94/84/1018019484.db2.gz KPJJNAKZCBOHBN-ZJUUUORDSA-N -1 0 306.322 -0.359 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)c3cccnn3)C2)n1 ZINC001602575708 1018020040 /nfs/dbraw/zinc/02/00/40/1018020040.db2.gz CZPSGSXSACREQR-SECBINFHSA-N -1 0 314.305 -0.287 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)c2cncs2)n1 ZINC001602575345 1018020074 /nfs/dbraw/zinc/02/00/74/1018020074.db2.gz VKSCJEJAIMGXBT-SSDOTTSWSA-N -1 0 323.334 -0.744 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)n1 ZINC001602575529 1018020337 /nfs/dbraw/zinc/02/03/37/1018020337.db2.gz ZQGXKJIMQFCOSB-QMMMGPOBSA-N -1 0 302.294 -0.217 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NCC[C@@]1(O)CCOC1 ZINC001602578490 1018020456 /nfs/dbraw/zinc/02/04/56/1018020456.db2.gz VCEVKYORQUMZBX-GFCCVEGCSA-N -1 0 316.335 -0.400 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)c3ncccn3)C2)n1 ZINC001602574781 1018020599 /nfs/dbraw/zinc/02/05/99/1018020599.db2.gz MDJBHCWKNNVJCX-VIFPVBQESA-N -1 0 314.305 -0.287 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)Cn3cccn3)C2)n1 ZINC001602576132 1018020732 /nfs/dbraw/zinc/02/07/32/1018020732.db2.gz NKNGEWKNNQLWPS-SNVBAGLBSA-N -1 0 316.321 -0.494 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C2)n1 ZINC001602573805 1018020872 /nfs/dbraw/zinc/02/08/72/1018020872.db2.gz VIFLHLFMQJXMMY-WDEREUQCSA-N -1 0 320.349 -0.106 20 0 DBADRM O=C([O-])c1nccc(N2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)n1 ZINC001602574898 1018021164 /nfs/dbraw/zinc/02/11/64/1018021164.db2.gz ZGJCFRRSZWKJNM-HTQZYQBOSA-N -1 0 319.277 -0.858 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)[C@H]2CC23CCC3)n1 ZINC001602575426 1018021211 /nfs/dbraw/zinc/02/12/11/1018021211.db2.gz XPYJLPADFLUGSU-NXEZZACHSA-N -1 0 320.349 -0.324 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NCCNC(=O)C1CC1 ZINC001602577573 1018021640 /nfs/dbraw/zinc/02/16/40/1018021640.db2.gz KVOMNFBDBWLUDR-UHFFFAOYSA-N -1 0 313.335 -0.416 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)c3cnon3)C2)n1 ZINC001602576308 1018021839 /nfs/dbraw/zinc/02/18/39/1018021839.db2.gz XMJLMDBEPNHXCU-SSDOTTSWSA-N -1 0 304.266 -0.694 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC001602587271 1018022513 /nfs/dbraw/zinc/02/25/13/1018022513.db2.gz JHVRENKBFYWIBP-QUBYGPBYSA-N -1 0 304.349 -0.013 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC001602581220 1018022758 /nfs/dbraw/zinc/02/27/58/1018022758.db2.gz PRFIWOQDPYKQNS-SNVBAGLBSA-N -1 0 309.322 -0.417 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1CCn2ncnc2C1 ZINC001602586738 1018022973 /nfs/dbraw/zinc/02/29/73/1018022973.db2.gz GKDHVODJKKKBQZ-UHFFFAOYSA-N -1 0 315.336 -0.363 20 0 DBADRM O=C([O-])C1(C(=O)COC(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC001602610266 1018023551 /nfs/dbraw/zinc/02/35/51/1018023551.db2.gz CMYRFIHNTLINKO-VIFPVBQESA-N -1 0 323.305 -0.095 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CCN(C2CC2)C(=O)C1 ZINC001602584582 1018023710 /nfs/dbraw/zinc/02/37/10/1018023710.db2.gz HZIXFDPHZRZCNH-UHFFFAOYSA-N -1 0 323.305 -0.277 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1CC[C@H](O)[C@@H](F)C1 ZINC001602587267 1018023905 /nfs/dbraw/zinc/02/39/05/1018023905.db2.gz JFLAYIDJXFZURA-WDSKDSINSA-N -1 0 310.328 -0.065 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)CCOC1 ZINC001602625695 1018025070 /nfs/dbraw/zinc/02/50/70/1018025070.db2.gz CLHBFUSUFYRLCS-HNNXBMFYSA-N -1 0 321.333 -0.211 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001602624303 1018025213 /nfs/dbraw/zinc/02/52/13/1018025213.db2.gz YEWICMNMDZTWOR-CQSZACIVSA-N -1 0 308.290 -0.479 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)c3cn[nH]c(=O)c3)CC2)CCOC1 ZINC001602627886 1018025715 /nfs/dbraw/zinc/02/57/15/1018025715.db2.gz PBOCVYGBROTUON-CQSZACIVSA-N -1 0 322.321 -0.816 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2cccnc2OCC(F)F)C1 ZINC001602628753 1018025987 /nfs/dbraw/zinc/02/59/87/1018025987.db2.gz QHVVGOXEJMROSG-UHFFFAOYSA-N -1 0 302.233 -0.003 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@]2(c3ccccc3)CNC(=O)C2)C1 ZINC001602631971 1018027074 /nfs/dbraw/zinc/02/70/74/1018027074.db2.gz JJERWDAXJLGQSB-JKSUJKDBSA-N -1 0 318.329 -0.508 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)c1ccc(O)cc1 ZINC001602633254 1018027495 /nfs/dbraw/zinc/02/74/95/1018027495.db2.gz DKFNMNUTJGJNFC-QPUJVOFHSA-N -1 0 306.274 -0.313 20 0 DBADRM O=C([O-])[C@H]1CCCCN1Cc1cn(C[C@@H]2CNC(=O)C2)nn1 ZINC001602636094 1018027881 /nfs/dbraw/zinc/02/78/81/1018027881.db2.gz DGAPEMKAAGOWIK-CMPLNLGQSA-N -1 0 307.354 -0.147 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)c1ccc(O)cc1 ZINC001602633251 1018028012 /nfs/dbraw/zinc/02/80/12/1018028012.db2.gz DKFNMNUTJGJNFC-PELKAZGASA-N -1 0 306.274 -0.313 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)c1ccc(O)cc1 ZINC001602633256 1018028044 /nfs/dbraw/zinc/02/80/44/1018028044.db2.gz DKFNMNUTJGJNFC-UFBFGSQYSA-N -1 0 306.274 -0.313 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccc([C@@H]3CCC(=O)N3)cc2)C1 ZINC001602638921 1018029234 /nfs/dbraw/zinc/02/92/34/1018029234.db2.gz MVXLGDXGNPQOAV-NSHDSACASA-N -1 0 304.302 -0.091 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC001602638374 1018029827 /nfs/dbraw/zinc/02/98/27/1018029827.db2.gz DUFOEPCTLBOHQG-VIFPVBQESA-N -1 0 319.273 -0.755 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)C2)nn1 ZINC001602640739 1018030046 /nfs/dbraw/zinc/03/00/46/1018030046.db2.gz UDROAEJQBHDMBG-RKDXNWHRSA-N -1 0 307.310 -0.582 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001602636629 1018030263 /nfs/dbraw/zinc/03/02/63/1018030263.db2.gz SJCZMUSODYBTCB-NGJCXOISSA-N -1 0 300.208 -0.160 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N[C@H]1CCC(=O)NC1=O ZINC001602638857 1018030281 /nfs/dbraw/zinc/03/02/81/1018030281.db2.gz LMYBXFIPUYAHQU-VIFPVBQESA-N -1 0 319.273 -0.755 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001602636630 1018030370 /nfs/dbraw/zinc/03/03/70/1018030370.db2.gz SJCZMUSODYBTCB-SRQIZXRXSA-N -1 0 300.208 -0.160 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001602643592 1018030655 /nfs/dbraw/zinc/03/06/55/1018030655.db2.gz VIOAZIXANKUBQI-IUCAKERBSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001602647764 1018031135 /nfs/dbraw/zinc/03/11/35/1018031135.db2.gz PTQAZCQSGCZTKX-JTQLQIEISA-N -1 0 314.319 -0.705 20 0 DBADRM O=C([O-])c1ccc(Cn2cc(CN3CCNC(=O)C3)nn2)cc1 ZINC001602650324 1018031545 /nfs/dbraw/zinc/03/15/45/1018031545.db2.gz JVEUDURVCZVQHW-UHFFFAOYSA-N -1 0 315.333 -0.044 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCC(=O)NC1=O)c1ccc(O)cc1 ZINC001602646783 1018031783 /nfs/dbraw/zinc/03/17/83/1018031783.db2.gz OSLKTXINOXRUBL-LBPRGKRZSA-N -1 0 321.289 -0.424 20 0 DBADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CN1CCNC(=O)C1 ZINC001602649527 1018031849 /nfs/dbraw/zinc/03/18/49/1018031849.db2.gz UUZWYINWNLWDDR-HNNXBMFYSA-N -1 0 317.345 -0.371 20 0 DBADRM O=C([O-])c1cnc(NC/C=C\CNC(=O)[C@@H]2CCC(=O)N2)nc1 ZINC001602647392 1018031898 /nfs/dbraw/zinc/03/18/98/1018031898.db2.gz SCLMCGKHXQGGRY-SYBPUXJVSA-N -1 0 319.321 -0.462 20 0 DBADRM O=C([O-])c1ccc(NC(=O)CN2CC(=O)NCC23COC3)cc1 ZINC001602649748 1018032219 /nfs/dbraw/zinc/03/22/19/1018032219.db2.gz ZBPKLUJJNOMUQG-UHFFFAOYSA-N -1 0 319.317 -0.476 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001602646358 1018032273 /nfs/dbraw/zinc/03/22/73/1018032273.db2.gz GJJNTCNICFMIRW-SNVBAGLBSA-N -1 0 311.319 -0.068 20 0 DBADRM O=C([O-])c1ccc2c(c1)NC(=O)CN2C(=O)Cn1cncn1 ZINC001602648745 1018032368 /nfs/dbraw/zinc/03/23/68/1018032368.db2.gz JCWNONVBRLZKTN-UHFFFAOYSA-N -1 0 301.262 -0.038 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001602649584 1018032381 /nfs/dbraw/zinc/03/23/81/1018032381.db2.gz UPRWIEKZTACUGH-DBIOUOCHSA-N -1 0 323.349 -0.765 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)NCCN1CCNC(=O)C1)C2 ZINC001602650252 1018032441 /nfs/dbraw/zinc/03/24/41/1018032441.db2.gz GPJLKULKCCLXDZ-NHYWBVRUSA-N -1 0 324.381 -0.686 20 0 DBADRM O=C([O-])c1ccc2c(c1)NC(=O)CN2C(=O)[C@@H]1COC(=O)N1 ZINC001602649949 1018032768 /nfs/dbraw/zinc/03/27/68/1018032768.db2.gz QWTPKFPELXJSDC-QMMMGPOBSA-N -1 0 305.246 -0.222 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001602644512 1018032873 /nfs/dbraw/zinc/03/28/73/1018032873.db2.gz VNAPYDUAMAEHHA-IUCAKERBSA-N -1 0 300.311 -0.622 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC(=O)NCC23COC3)C1 ZINC001602644994 1018032966 /nfs/dbraw/zinc/03/29/66/1018032966.db2.gz SSPRVXARQLRZNQ-WDEREUQCSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N2CC(=O)NCC23COC3)cc1 ZINC001602648320 1018033013 /nfs/dbraw/zinc/03/30/13/1018033013.db2.gz ASQPYIJZCGDNLF-UHFFFAOYSA-N -1 0 304.302 -0.345 20 0 DBADRM O=C([O-])[C@H]1CCN1C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001602652363 1018033576 /nfs/dbraw/zinc/03/35/76/1018033576.db2.gz YYXTXYIGHHNTOA-SNVBAGLBSA-N -1 0 303.274 -0.332 20 0 DBADRM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)CN2CCOCC2=O)C1 ZINC001602651485 1018033927 /nfs/dbraw/zinc/03/39/27/1018033927.db2.gz JEJLGGDYDAFRQW-NSHDSACASA-N -1 0 324.255 -0.289 20 0 DBADRM O=C([O-])[C@@H]1CCN1C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001602652362 1018034220 /nfs/dbraw/zinc/03/42/20/1018034220.db2.gz YYXTXYIGHHNTOA-JTQLQIEISA-N -1 0 303.274 -0.332 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)[C@@H]1CSCC(=O)N1 ZINC001602654065 1018034454 /nfs/dbraw/zinc/03/44/54/1018034454.db2.gz RMKWJJQWOJDYAA-UWVGGRQHSA-N -1 0 309.347 -0.575 20 0 DBADRM O=C([O-])C12CCC(C(=O)NCCN3C(=O)CNC3=O)(CC1)C2 ZINC001602651793 1018034588 /nfs/dbraw/zinc/03/45/88/1018034588.db2.gz NCIJOBWMQMZPOX-UHFFFAOYSA-N -1 0 309.322 -0.311 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)NCCN1C(=O)CNC1=O)CC2 ZINC001602651626 1018034717 /nfs/dbraw/zinc/03/47/17/1018034717.db2.gz KRMPBNQQLCVHMN-OTYXRUKQSA-N -1 0 324.337 -0.423 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc3c2NC(=O)CO3)CCO1 ZINC001602651978 1018034898 /nfs/dbraw/zinc/03/48/98/1018034898.db2.gz DJCWWQLQEUOPBZ-JTQLQIEISA-N -1 0 306.274 -0.057 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cnc3c(c2)NC(=O)CS3)C1 ZINC001602653930 1018035016 /nfs/dbraw/zinc/03/50/16/1018035016.db2.gz YSAWVWFYFQBKAS-CYBMUJFWSA-N -1 0 323.330 -0.213 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)NCCN1CCNC(=O)C1)CC2 ZINC001602650425 1018035162 /nfs/dbraw/zinc/03/51/62/1018035162.db2.gz OKUKYTBGWPVWCP-ABAIWWIYSA-N -1 0 324.381 -0.543 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001602655343 1018035738 /nfs/dbraw/zinc/03/57/38/1018035738.db2.gz DYDAEXHNFBHLPS-BPCTXRNPSA-N -1 0 324.255 -0.462 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC001602655797 1018035781 /nfs/dbraw/zinc/03/57/81/1018035781.db2.gz WIFYLTXFVMJAOD-CQSZACIVSA-N -1 0 318.289 -0.406 20 0 DBADRM O=C([O-])c1cc(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)c[nH]1 ZINC001602654859 1018036378 /nfs/dbraw/zinc/03/63/78/1018036378.db2.gz GTOMUVGSOMBSJS-UHFFFAOYSA-N -1 0 320.305 -0.037 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001602655345 1018036561 /nfs/dbraw/zinc/03/65/61/1018036561.db2.gz DYDAEXHNFBHLPS-UEZPWLPBSA-N -1 0 324.255 -0.462 20 0 DBADRM O=C([O-])c1cnc(NC[C@H]2CCC[C@]23NC(=O)NC3=O)cn1 ZINC001602655983 1018037061 /nfs/dbraw/zinc/03/70/61/1018037061.db2.gz YRPLGVHFQJQXHW-UHLUBPPHSA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])c1ccc(CCC(=O)N2CC3(C2)NC(=O)NC3=O)cc1 ZINC001602655554 1018037378 /nfs/dbraw/zinc/03/73/78/1018037378.db2.gz DTVYIVOTQVFYAM-UHFFFAOYSA-N -1 0 317.301 -0.262 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC3(C2)CNC(=O)O3)s1 ZINC001602659424 1018037783 /nfs/dbraw/zinc/03/77/83/1018037783.db2.gz PYIJQOADOVGAAS-UHFFFAOYSA-N -1 0 318.332 -0.071 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)[C@H]([C@@H]2CCCO2)C1 ZINC001602659952 1018037834 /nfs/dbraw/zinc/03/78/34/1018037834.db2.gz YNYQZFPHYJZSPJ-NAKRPEOUSA-N -1 0 312.322 -0.034 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)CCC1 ZINC001602663138 1018037954 /nfs/dbraw/zinc/03/79/54/1018037954.db2.gz LJYFUMSYOXGFKS-IUCAKERBSA-N -1 0 303.336 -0.324 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001602660235 1018038572 /nfs/dbraw/zinc/03/85/72/1018038572.db2.gz XYQPKAPTBYUMQM-QJPTWQEYSA-N -1 0 309.366 -0.480 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C=C1CCC1 ZINC001499250224 1018043370 /nfs/dbraw/zinc/04/33/70/1018043370.db2.gz WHELXPQGHQPCMH-SNVBAGLBSA-N -1 0 323.353 -0.189 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001602744399 1018056323 /nfs/dbraw/zinc/05/63/23/1018056323.db2.gz SGAGBDLSEJEICS-GFCCVEGCSA-N -1 0 316.354 -0.521 20 0 DBADRM CC(=O)N1CCO[C@@H](C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001602746533 1018056366 /nfs/dbraw/zinc/05/63/66/1018056366.db2.gz KYLQWJGTMZFEPD-QWHCGFSZSA-N -1 0 321.333 -0.559 20 0 DBADRM CC(=O)C[C@H](C)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001602737643 1018057242 /nfs/dbraw/zinc/05/72/42/1018057242.db2.gz TTYUILGWULPNNU-QMMMGPOBSA-N -1 0 305.352 -0.250 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)c1nc(CC(=O)[O-])no1 ZINC001602751524 1018057271 /nfs/dbraw/zinc/05/72/71/1018057271.db2.gz YQHYIWFXSCNKES-UHFFFAOYSA-N -1 0 312.326 -0.037 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC001602745281 1018057542 /nfs/dbraw/zinc/05/75/42/1018057542.db2.gz XSLWGJQDXRQLBN-LBPRGKRZSA-N -1 0 312.322 -0.669 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001602744400 1018057673 /nfs/dbraw/zinc/05/76/73/1018057673.db2.gz SGAGBDLSEJEICS-LBPRGKRZSA-N -1 0 316.354 -0.521 20 0 DBADRM CC(=O)N1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC001602744751 1018057916 /nfs/dbraw/zinc/05/79/16/1018057916.db2.gz AYPFTLJSXBDOEM-UHFFFAOYSA-N -1 0 320.305 -0.591 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCCC(=O)[O-] ZINC001602751050 1018058292 /nfs/dbraw/zinc/05/82/92/1018058292.db2.gz MMRBUXWDUMQJQU-UHFFFAOYSA-N -1 0 315.370 -0.223 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H](C)C(=O)[O-] ZINC001602755806 1018059149 /nfs/dbraw/zinc/05/91/49/1018059149.db2.gz OVMRXMBQJDPYOU-OBTGPFSDSA-N -1 0 310.350 -0.152 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCc2nncn2C1)[C@@H](C)C(=O)[O-] ZINC001602752812 1018060190 /nfs/dbraw/zinc/06/01/90/1018060190.db2.gz ICFFKXQOYVSDJN-ONGXEEELSA-N -1 0 323.353 -0.722 20 0 DBADRM CC(=O)NCCN(C(=O)c1cnc2n1CCOC2)[C@H](C)C(=O)[O-] ZINC001602758091 1018060628 /nfs/dbraw/zinc/06/06/28/1018060628.db2.gz VCQLUJZEJTWSMY-SECBINFHSA-N -1 0 324.337 -0.535 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001602754207 1018060837 /nfs/dbraw/zinc/06/08/37/1018060837.db2.gz ZVENCJXNKJJYDA-UHFFFAOYSA-N -1 0 308.294 -0.639 20 0 DBADRM CC(=O)c1cn(C2CN(C(=O)C3(C(=O)[O-])CCOCC3)C2)nn1 ZINC001602778680 1018064010 /nfs/dbraw/zinc/06/40/10/1018064010.db2.gz KNEDKYOYEYOTOT-UHFFFAOYSA-N -1 0 322.321 -0.255 20 0 DBADRM C[C@H](C(=O)NC1(C(=O)[O-])CCOCC1)[C@H](C)S(C)(=O)=O ZINC001602788296 1018064565 /nfs/dbraw/zinc/06/45/65/1018064565.db2.gz DTLGHZAATGDYSS-IUCAKERBSA-N -1 0 307.368 -0.194 20 0 DBADRM CC(=O)Nc1ccc(CCNC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC001602765390 1018064633 /nfs/dbraw/zinc/06/46/33/1018064633.db2.gz QYBVVFOAQHAKFK-UHFFFAOYSA-N -1 0 321.333 -0.105 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)C(=O)Nc1ccc(C(N)=O)nc1)C1CC1 ZINC001602814391 1018065031 /nfs/dbraw/zinc/06/50/31/1018065031.db2.gz LMTJUYKURRETAN-ZETCQYMHSA-N -1 0 320.305 -0.417 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC001602802257 1018066469 /nfs/dbraw/zinc/06/64/69/1018066469.db2.gz SWXFEEQUIUZHMJ-ZJUUUORDSA-N -1 0 318.337 -0.118 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001602805437 1018067235 /nfs/dbraw/zinc/06/72/35/1018067235.db2.gz VHUCORQDJZMRJJ-MRVPVSSYSA-N -1 0 301.324 -0.803 20 0 DBADRM C[C@@H](C(=O)[O-])N(C1CC1)S(=O)(=O)CCCN1CCOCC1 ZINC001602820091 1018067347 /nfs/dbraw/zinc/06/73/47/1018067347.db2.gz PVLWPMLUWYOHSM-NSHDSACASA-N -1 0 320.411 -0.024 20 0 DBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602854843 1018070725 /nfs/dbraw/zinc/07/07/25/1018070725.db2.gz ZTMVDBYAFPKUOS-QIBSRJKCSA-N -1 0 313.354 -0.371 20 0 DBADRM CC(C)(C)n1nnc(CN[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001602928564 1018078056 /nfs/dbraw/zinc/07/80/56/1018078056.db2.gz AIXDCGGUWANEDA-SNVBAGLBSA-N -1 0 324.385 -0.017 20 0 DBADRM CC(C)(C)n1nnc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)n1 ZINC001602928865 1018078204 /nfs/dbraw/zinc/07/82/04/1018078204.db2.gz JZJHZYJYGFXFBP-SSDOTTSWSA-N -1 0 311.298 -0.730 20 0 DBADRM CC(=O)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CC1 ZINC001602928471 1018079389 /nfs/dbraw/zinc/07/93/89/1018079389.db2.gz FUHJPBIAWIUEAU-UHFFFAOYSA-N -1 0 316.321 -0.123 20 0 DBADRM CC(=O)N[C@@H]1CCC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001602939255 1018081240 /nfs/dbraw/zinc/08/12/40/1018081240.db2.gz MAAUCOWCFAWBKY-ZJUUUORDSA-N -1 0 302.342 -0.062 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1C[C@H](O)CC(F)(F)C1)C(=O)[O-] ZINC001602938727 1018081504 /nfs/dbraw/zinc/08/15/04/1018081504.db2.gz SSFKCRXPKICYNT-MRVPVSSYSA-N -1 0 322.308 -0.168 20 0 DBADRM CC(C)(CCO)CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001602944197 1018082849 /nfs/dbraw/zinc/08/28/49/1018082849.db2.gz JZQMVNGZSUBREY-UHFFFAOYSA-N -1 0 312.326 -0.569 20 0 DBADRM CC(C)(O)CCS(=O)(=O)CCS(=O)(=O)CC(=O)[O-] ZINC001602955030 1018086629 /nfs/dbraw/zinc/08/66/29/1018086629.db2.gz VCMXBVVDCKHQNC-UHFFFAOYSA-N -1 0 302.370 -0.938 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CC[C@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC001602978729 1018089366 /nfs/dbraw/zinc/08/93/66/1018089366.db2.gz OWYVEAVHANGMCS-UWVGGRQHSA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CC[C@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC001602978730 1018089701 /nfs/dbraw/zinc/08/97/01/1018089701.db2.gz OWYVEAVHANGMCS-VHSXEESVSA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)[C@H](CNC(=O)N1C[C@H](CO)[C@@H](CCO)C1)C(=O)[O-] ZINC001602978779 1018091526 /nfs/dbraw/zinc/09/15/26/1018091526.db2.gz SJMLGGFYULBPBW-TUAOUCFPSA-N -1 0 302.371 -0.025 20 0 DBADRM CC(C)[C@@](C)(NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(N)=O ZINC001603004894 1018092369 /nfs/dbraw/zinc/09/23/69/1018092369.db2.gz IAYHKYLKHNQZMP-JVXZTZIISA-N -1 0 321.345 -0.965 20 0 DBADRM CC(C)[C@@H](CO)CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001602992575 1018093023 /nfs/dbraw/zinc/09/30/23/1018093023.db2.gz KPKPFSSCJDUNMQ-SECBINFHSA-N -1 0 312.326 -0.713 20 0 DBADRM CC(=O)N(C)CC(=O)NCC[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001603005529 1018093530 /nfs/dbraw/zinc/09/35/30/1018093530.db2.gz RQUWMRZBXRJDTG-SECBINFHSA-N -1 0 323.353 -0.040 20 0 DBADRM CC(C)[C@@](C)(CO)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001603004159 1018094883 /nfs/dbraw/zinc/09/48/83/1018094883.db2.gz BIBUBKBATIATRL-QPUJVOFHSA-N -1 0 308.346 -0.458 20 0 DBADRM C[C@@H](C(=O)N1CC(O)(C2CC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001602991751 1018095351 /nfs/dbraw/zinc/09/53/51/1018095351.db2.gz WQQFEGCASOEMJJ-ZETCQYMHSA-N -1 0 304.314 -0.998 20 0 DBADRM CC(=O)N1C[C@H](C(=O)N[C@@](C)(CO)C(=O)[O-])Oc2ccccc21 ZINC001603013308 1018096457 /nfs/dbraw/zinc/09/64/57/1018096457.db2.gz ISOCHGIMGMNRAK-DOMZBBRYSA-N -1 0 322.317 -0.248 20 0 DBADRM CC(C)C[C@H]1C(=O)NCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001603018659 1018096847 /nfs/dbraw/zinc/09/68/47/1018096847.db2.gz YEVFMCOYWBVWEP-JTQLQIEISA-N -1 0 306.384 -0.668 20 0 DBADRM C[C@@H](C(=O)NCCc1cnccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001603017484 1018097867 /nfs/dbraw/zinc/09/78/67/1018097867.db2.gz SQSNLDOSQURLLI-QMMMGPOBSA-N -1 0 314.313 -0.832 20 0 DBADRM C[C@@H](C(=O)NC[C@]1(C)CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603012698 1018099237 /nfs/dbraw/zinc/09/92/37/1018099237.db2.gz NNNAVTRDAFFUND-UFBFGSQYSA-N -1 0 306.330 -0.438 20 0 DBADRM C[C@@H](C(=O)NCC1=CCCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603012174 1018100420 /nfs/dbraw/zinc/10/04/20/1018100420.db2.gz JDEFGSIDMHAWQZ-QMMMGPOBSA-N -1 0 304.314 -0.518 20 0 DBADRM CC(C)COC[C@H](O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001603030674 1018102710 /nfs/dbraw/zinc/10/27/10/1018102710.db2.gz LITLPOJMHAVUND-GHMZBOCLSA-N -1 0 309.384 -0.797 20 0 DBADRM CC(=O)N1CCC[C@H](N(CCO)c2ccnc(C(=O)[O-])n2)C1 ZINC001603020742 1018103101 /nfs/dbraw/zinc/10/31/01/1018103101.db2.gz QERGARZWXFFCTB-NSHDSACASA-N -1 0 308.338 -0.016 20 0 DBADRM CC(=O)N1CCCC[C@H]1C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001603021027 1018103119 /nfs/dbraw/zinc/10/31/19/1018103119.db2.gz VFSKJJXLUJMYOJ-NEPJUHHUSA-N -1 0 308.338 -0.077 20 0 DBADRM CC(=O)N1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)C1 ZINC001603025937 1018103598 /nfs/dbraw/zinc/10/35/98/1018103598.db2.gz LUXMURFHZKEPRR-NWDGAFQWSA-N -1 0 310.350 -0.053 20 0 DBADRM CC(=O)N1C[C@@H]2CN(S(=O)(=O)CC(C)(C)C(=O)[O-])C[C@@H]2C1 ZINC001603030484 1018104360 /nfs/dbraw/zinc/10/43/60/1018104360.db2.gz HLTUNUDIXYHNJT-PHIMTYICSA-N -1 0 318.395 -0.163 20 0 DBADRM CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@](C)(CO)C(=O)[O-] ZINC001603031052 1018105200 /nfs/dbraw/zinc/10/52/00/1018105200.db2.gz BNTSAWMHHMCVHG-SWLSCSKDSA-N -1 0 306.318 -0.084 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001603021242 1018106667 /nfs/dbraw/zinc/10/66/67/1018106667.db2.gz YFKXAJQPMJERJW-LLVKDONJSA-N -1 0 307.310 -0.630 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001603035967 1018108484 /nfs/dbraw/zinc/10/84/84/1018108484.db2.gz YOPXFUVJPNDOBY-HTQZYQBOSA-N -1 0 309.326 -0.384 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1 ZINC001603040547 1018109880 /nfs/dbraw/zinc/10/98/80/1018109880.db2.gz VXYWSBJGGBXJGX-WDEREUQCSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001603039874 1018110188 /nfs/dbraw/zinc/11/01/88/1018110188.db2.gz LOVHLSMPVQYAFQ-VIFPVBQESA-N -1 0 313.335 -0.321 20 0 DBADRM C[C@H](C(=O)OC[C@@]1(C)CCNC1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001603032337 1018111735 /nfs/dbraw/zinc/11/17/35/1018111735.db2.gz PWSCHXBAOOSIHW-JMCQJSRRSA-N -1 0 320.313 -0.911 20 0 DBADRM C[C@@H](C(=O)OCCCC(=O)N(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001603033361 1018111866 /nfs/dbraw/zinc/11/18/66/1018111866.db2.gz XIRNWUKBWBRTPO-QMMMGPOBSA-N -1 0 322.329 -0.569 20 0 DBADRM CC(=O)NCCN(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001603047746 1018112560 /nfs/dbraw/zinc/11/25/60/1018112560.db2.gz OJZFUFSWOISXPA-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM CC(C)N1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001603068033 1018113298 /nfs/dbraw/zinc/11/32/98/1018113298.db2.gz CLSSNLJPPSSNBN-UHFFFAOYSA-N -1 0 311.382 -0.138 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)Cc1noc(C2CC2)n1)C(=O)[O-] ZINC001603055432 1018114050 /nfs/dbraw/zinc/11/40/50/1018114050.db2.gz OKVPTRPYJLDRDF-FHZGZLOMSA-N -1 0 301.324 -0.215 20 0 DBADRM CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)C(=O)N(C)CCC(=O)[O-] ZINC001603065974 1018114093 /nfs/dbraw/zinc/11/40/93/1018114093.db2.gz QHNREYCYWNZFHU-JTQLQIEISA-N -1 0 313.354 -0.565 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)Cc1nnc(C(C)C)[nH]1)C(=O)[O-] ZINC001603055692 1018114754 /nfs/dbraw/zinc/11/47/54/1018114754.db2.gz WPYDIRMGSNMMOG-FFVOIRBGSA-N -1 0 302.356 -0.234 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001603047696 1018114922 /nfs/dbraw/zinc/11/49/22/1018114922.db2.gz LTGOLPLEEAMQJM-UHFFFAOYSA-N -1 0 321.333 -0.153 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)c2csc(C(=O)[O-])n2)CCO1 ZINC001603044668 1018115090 /nfs/dbraw/zinc/11/50/90/1018115090.db2.gz IJCASQUGPICEEX-QMMMGPOBSA-N -1 0 313.335 -0.182 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])s1 ZINC001603086590 1018116532 /nfs/dbraw/zinc/11/65/32/1018116532.db2.gz SGTIGMNYHXBCJX-YFKPBYRVSA-N -1 0 311.316 -0.198 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001603075343 1018117367 /nfs/dbraw/zinc/11/73/67/1018117367.db2.gz OXPJPMLVZGTLBN-KCJUWKMLSA-N -1 0 307.372 -0.954 20 0 DBADRM CC(C)OC[C@@H]1CN(C(=O)c2cn(CC(=O)[O-])nn2)CCO1 ZINC001603075452 1018118350 /nfs/dbraw/zinc/11/83/50/1018118350.db2.gz CSNVTVRATFZYAY-JTQLQIEISA-N -1 0 312.326 -0.371 20 0 DBADRM CC(C)c1nnnn1CC(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001603115098 1018118599 /nfs/dbraw/zinc/11/85/99/1018118599.db2.gz POASSUAYQZPQRY-QMMMGPOBSA-N -1 0 311.298 -0.975 20 0 DBADRM CC(C)O[C@H]1CCCN(C(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC001603075778 1018118668 /nfs/dbraw/zinc/11/86/68/1018118668.db2.gz KJIGYWIOOAQNBH-NSHDSACASA-N -1 0 316.354 -0.380 20 0 DBADRM CC(C)OC[C@@H]1CN([C@@H]2CCN(CC(=O)[O-])C2=O)CCO1 ZINC001603075729 1018119115 /nfs/dbraw/zinc/11/91/15/1018119115.db2.gz IQHQITRHTVOKAL-NWDGAFQWSA-N -1 0 300.355 -0.202 20 0 DBADRM C[C@@H](NC(=O)CN1CCCCC(=O)C1=O)c1nn(C)cc1[O-] ZINC001603115873 1018119725 /nfs/dbraw/zinc/11/97/25/1018119725.db2.gz DGHDGKOWCZSWKL-SECBINFHSA-N -1 0 308.338 -0.116 20 0 DBADRM CC(C)[C@H](NC(=O)C(=O)Nc1ccc2ncnn2c1)C(=O)[O-] ZINC001603095000 1018120094 /nfs/dbraw/zinc/12/00/94/1018120094.db2.gz MVGOCKULVGFUBP-JTQLQIEISA-N -1 0 305.294 -0.107 20 0 DBADRM CC(=O)c1cn(C2CN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)C2)nn1 ZINC001603123906 1018122357 /nfs/dbraw/zinc/12/23/57/1018122357.db2.gz KIDFIURNOHUMJS-MNOVXSKESA-N -1 0 308.294 -0.504 20 0 DBADRM CC(=O)N[C@](C)(CNC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001499557024 1018122646 /nfs/dbraw/zinc/12/26/46/1018122646.db2.gz JNAYOUDBMMRFQR-CQSZACIVSA-N -1 0 308.338 -0.480 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC(=O)N(C2CC2)C1 ZINC001603139226 1018122589 /nfs/dbraw/zinc/12/25/89/1018122589.db2.gz AWMONUCNDXBJPQ-JTQLQIEISA-N -1 0 309.366 -0.038 20 0 DBADRM CC(=O)c1cn(Cc2ncccc2C(=O)[O-])c(=O)n(C)c1=O ZINC001603123963 1018123612 /nfs/dbraw/zinc/12/36/12/1018123612.db2.gz MGPXGFCXLFQKDS-UHFFFAOYSA-N -1 0 303.274 -0.109 20 0 DBADRM CC(=O)c1cn(CC(=O)OCc2cnc(C(=O)[O-])cn2)nn1 ZINC001603123624 1018124143 /nfs/dbraw/zinc/12/41/43/1018124143.db2.gz GKFBKIVQTMKQBT-UHFFFAOYSA-N -1 0 305.250 -0.288 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001603133858 1018124191 /nfs/dbraw/zinc/12/41/91/1018124191.db2.gz OJKMSJNQBXDAMM-BDAKNGLRSA-N -1 0 324.424 -0.458 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])c1cnn(C)c1 ZINC001603145659 1018125483 /nfs/dbraw/zinc/12/54/83/1018125483.db2.gz HHLZIYAAOMBBMP-ONGXEEELSA-N -1 0 308.338 -0.285 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1)C(=O)[O-] ZINC001603145373 1018126243 /nfs/dbraw/zinc/12/62/43/1018126243.db2.gz PNSQYRZQCNBWFQ-DBIOUOCHSA-N -1 0 314.338 -0.914 20 0 DBADRM C[C@H](CN(C)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC001603150265 1018130010 /nfs/dbraw/zinc/13/00/10/1018130010.db2.gz PANKSFZYUIUPJQ-OUAUKWLOSA-N -1 0 315.370 -0.016 20 0 DBADRM C[C@@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])N1CCSCC1 ZINC001603154382 1018130157 /nfs/dbraw/zinc/13/01/57/1018130157.db2.gz COYVIYCIVPGJPS-UWVGGRQHSA-N -1 0 313.383 -0.715 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC(C)(CO)CC1)C(=O)[O-] ZINC001603145830 1018130371 /nfs/dbraw/zinc/13/03/71/1018130371.db2.gz XHFXQRZOOIEEFC-SNVBAGLBSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@@H](CN(C)C(=O)CCC(=O)N1CCC(O)CC1)C(=O)[O-] ZINC001603150143 1018130556 /nfs/dbraw/zinc/13/05/56/1018130556.db2.gz WRZMXLUPSANGPU-JTQLQIEISA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@H](CN1CCOCC1)N(C)CCS(=O)(=O)CC(=O)[O-] ZINC001603158885 1018134454 /nfs/dbraw/zinc/13/44/54/1018134454.db2.gz JBBAFLGJBBDYFW-LLVKDONJSA-N -1 0 308.400 -0.862 20 0 DBADRM C[C@H](C(=O)NC[C@@]1(C(=O)[O-])CCOC1)[C@@H](C)S(C)(=O)=O ZINC001603164276 1018134527 /nfs/dbraw/zinc/13/45/27/1018134527.db2.gz LMPYTMKBNSRUTQ-SBMIAAHKSA-N -1 0 307.368 -0.337 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N(CCO)Cc1ccccc1)C(=O)[O-] ZINC001603158961 1018134569 /nfs/dbraw/zinc/13/45/69/1018134569.db2.gz MURUVWWOANUJJH-NSHDSACASA-N -1 0 308.334 -0.156 20 0 DBADRM C[C@@H](C(=O)NCCCNc1ccnc(C(=O)[O-])n1)n1cccn1 ZINC001603164160 1018136205 /nfs/dbraw/zinc/13/62/05/1018136205.db2.gz IFTNIMDAQKDRDS-JTQLQIEISA-N -1 0 318.337 -0.027 20 0 DBADRM CC(C)(NC(=O)NCCn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001603164608 1018136612 /nfs/dbraw/zinc/13/66/12/1018136612.db2.gz GSWCRDCAYHPQSM-UHFFFAOYSA-N -1 0 305.346 -0.054 20 0 DBADRM C[C@@H](C(=O)NCC1(CC(=O)[O-])CCOCC1)S(C)(=O)=O ZINC001603164948 1018136692 /nfs/dbraw/zinc/13/66/92/1018136692.db2.gz YBUUVSVNEAHECO-VIFPVBQESA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCCO1)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001603164221 1018136761 /nfs/dbraw/zinc/13/67/61/1018136761.db2.gz KAPJWIYJVCTSMU-KXNHARMFSA-N -1 0 300.355 -0.156 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])N1CCSCC1 ZINC001603173378 1018141662 /nfs/dbraw/zinc/14/16/62/1018141662.db2.gz JJINOSACLVESQS-LPEHRKFASA-N -1 0 317.411 -0.482 20 0 DBADRM C[C@H](CNC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21)C(=O)[O-] ZINC001603175507 1018142248 /nfs/dbraw/zinc/14/22/48/1018142248.db2.gz RFBHBXMCNGSANT-UTLUCORTSA-N -1 0 320.367 -0.695 20 0 DBADRM C[C@H](CNC(=O)NCCN1CCC2(C1)OCCO2)C(=O)[O-] ZINC001603184057 1018142313 /nfs/dbraw/zinc/14/23/13/1018142313.db2.gz RLXZWSCJKUMNOC-SNVBAGLBSA-N -1 0 301.343 -0.545 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)CN1C(=O)C(=O)N(C)C1=O)C1CCC1 ZINC001603196124 1018143834 /nfs/dbraw/zinc/14/38/34/1018143834.db2.gz ONZDMEBRRPNAMY-SSDOTTSWSA-N -1 0 311.294 -0.739 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001603199529 1018144127 /nfs/dbraw/zinc/14/41/27/1018144127.db2.gz LSKSVQRLQSKMTQ-FDXSBTRWSA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@H](CS(=O)(=O)N(C)C)OC(=O)c1cnc(C(=O)[O-])cn1 ZINC001603199318 1018144662 /nfs/dbraw/zinc/14/46/62/1018144662.db2.gz JAYDDXJUOJDQSM-SSDOTTSWSA-N -1 0 317.323 -0.389 20 0 DBADRM C[C@H](C(=O)[O-])N(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001603197743 1018145498 /nfs/dbraw/zinc/14/54/98/1018145498.db2.gz STKNRLCMOYWHTA-NXEZZACHSA-N -1 0 318.395 -0.383 20 0 DBADRM C[C@@](CO)(NC(=O)c1cn(CC(=O)[O-])nn1)c1ccc(O)cc1 ZINC001603201395 1018145597 /nfs/dbraw/zinc/14/55/97/1018145597.db2.gz APYRCEXWVHAYHU-AWEZNQCLSA-N -1 0 320.305 -0.294 20 0 DBADRM C[C@@H](C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O)S(C)(=O)=O ZINC001603220538 1018148290 /nfs/dbraw/zinc/14/82/90/1018148290.db2.gz GVDJQYDFNAIRIK-YUMQZZPRSA-N -1 0 307.324 -0.962 20 0 DBADRM C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603220391 1018148504 /nfs/dbraw/zinc/14/85/04/1018148504.db2.gz MULQHMAAZHAOLH-OUAUKWLOSA-N -1 0 311.382 -0.330 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1scnc1C1CC1)C(=O)[O-] ZINC001603256451 1018150285 /nfs/dbraw/zinc/15/02/85/1018150285.db2.gz QNKCXBSCJTXXAP-GFCCVEGCSA-N -1 0 313.335 -0.089 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC001603256426 1018150316 /nfs/dbraw/zinc/15/03/16/1018150316.db2.gz QCFZBULMKKZSOE-GFCCVEGCSA-N -1 0 320.223 -0.006 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)c1nnnn1C1CC1 ZINC001603227483 1018150862 /nfs/dbraw/zinc/15/08/62/1018150862.db2.gz POOXIVIQHGWOSL-CBAPKCEASA-N -1 0 310.314 -0.436 20 0 DBADRM CC(C)(C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])N1CCOCC1 ZINC001603239127 1018152144 /nfs/dbraw/zinc/15/21/44/1018152144.db2.gz NBRMWWHUOOOKQF-LLVKDONJSA-N -1 0 310.354 -0.368 20 0 DBADRM C[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)C(=O)NCC(F)(F)F ZINC001603240527 1018152234 /nfs/dbraw/zinc/15/22/34/1018152234.db2.gz NBUQFIGQFDKDMQ-RXMQYKEDSA-N -1 0 323.231 -0.841 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2)C(=O)[O-] ZINC001603256530 1018152392 /nfs/dbraw/zinc/15/23/92/1018152392.db2.gz RAICXBAFTANMNF-AWEZNQCLSA-N -1 0 322.273 -0.753 20 0 DBADRM C[C@@H](NS(C)(=O)=O)c1nnc(-c2cnc(C(=O)[O-])cn2)o1 ZINC001603255727 1018153297 /nfs/dbraw/zinc/15/32/97/1018153297.db2.gz VUQXLCGJXZXDGI-RXMQYKEDSA-N -1 0 313.295 -0.165 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1cc(S(C)(=O)=O)ccn1)C(=O)[O-] ZINC001603256747 1018155318 /nfs/dbraw/zinc/15/53/18/1018155318.db2.gz GFNPXJUVGOOZEH-LLVKDONJSA-N -1 0 317.323 -0.558 20 0 DBADRM C[C@](O)(CNC(=O)CCCNC(=O)c1cccnc1)C(=O)[O-] ZINC001603257213 1018155858 /nfs/dbraw/zinc/15/58/58/1018155858.db2.gz RYKIMWFQSDNGRM-AWEZNQCLSA-N -1 0 309.322 -0.457 20 0 DBADRM C[C@H](O)CCCNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603265197 1018155965 /nfs/dbraw/zinc/15/59/65/1018155965.db2.gz GOXDRTIGBWXYMQ-WDEREUQCSA-N -1 0 315.370 -0.088 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001603263113 1018156251 /nfs/dbraw/zinc/15/62/51/1018156251.db2.gz HITRGUAMUAIMNZ-CQSZACIVSA-N -1 0 320.305 -0.481 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603265056 1018156773 /nfs/dbraw/zinc/15/67/73/1018156773.db2.gz GCWWZCIVOQOFDI-HQJQHLMTSA-N -1 0 310.310 -0.818 20 0 DBADRM C[C@](O)(CNC(=O)Nc1ccnn1C[C@@H]1CCOC1)C(=O)[O-] ZINC001603256760 1018156830 /nfs/dbraw/zinc/15/68/30/1018156830.db2.gz GGPRTMQBXQUTDE-ZANVPECISA-N -1 0 312.326 -0.123 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC001603292910 1018158130 /nfs/dbraw/zinc/15/81/30/1018158130.db2.gz SFRMMQNNZQGPOD-CABZTGNLSA-N -1 0 319.383 -0.632 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603268185 1018159386 /nfs/dbraw/zinc/15/93/86/1018159386.db2.gz DZLSRUDDEVBFOO-ZJUUUORDSA-N -1 0 312.322 -0.863 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CC1 ZINC001603269080 1018159668 /nfs/dbraw/zinc/15/96/68/1018159668.db2.gz SGBZPAFPEYOYAI-RWMBFGLXSA-N -1 0 314.382 -0.219 20 0 DBADRM C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001603266455 1018159727 /nfs/dbraw/zinc/15/97/27/1018159727.db2.gz WMPWNFFVBRBQJV-DCAQKATOSA-N -1 0 300.355 -0.073 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CC1 ZINC001603269077 1018159742 /nfs/dbraw/zinc/15/97/42/1018159742.db2.gz SGBZPAFPEYOYAI-AVGNSLFASA-N -1 0 314.382 -0.219 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCO1 ZINC001603266770 1018159941 /nfs/dbraw/zinc/15/99/41/1018159941.db2.gz ZIRCAYQIJKBKHS-SCZZXKLOSA-N -1 0 323.305 -0.674 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001603300445 1018161369 /nfs/dbraw/zinc/16/13/69/1018161369.db2.gz JCCATGAHCYFABY-UHFFFAOYSA-N -1 0 323.349 -0.175 20 0 DBADRM CC(C)(C)C(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001603295834 1018161722 /nfs/dbraw/zinc/16/17/22/1018161722.db2.gz REUABFMAFNPVJR-XXFSISAASA-N -1 0 322.361 -0.105 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](CC(N)=O)C2)C1 ZINC001603297385 1018162624 /nfs/dbraw/zinc/16/26/24/1018162624.db2.gz SUBMTBJUUIZSQE-OTYXRUKQSA-N -1 0 311.338 -0.967 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(F)(F)C[C@H]2CO)C1 ZINC001603297000 1018163758 /nfs/dbraw/zinc/16/37/58/1018163758.db2.gz FEEXVWIHFACGAI-UFBFGSQYSA-N -1 0 320.292 -0.462 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001603309886 1018164113 /nfs/dbraw/zinc/16/41/13/1018164113.db2.gz KACXUMDJTQSDBA-MRVPVSSYSA-N -1 0 323.349 -0.114 20 0 DBADRM CC1(C)C[S@](=O)CCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001603334390 1018165308 /nfs/dbraw/zinc/16/53/08/1018165308.db2.gz CTEPKMLOFCWODN-ZRNGKTOUSA-N -1 0 324.424 -0.377 20 0 DBADRM CC1(C)COC(=O)[C@H]1NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603334138 1018165529 /nfs/dbraw/zinc/16/55/29/1018165529.db2.gz LDPOWIXBMYSLEQ-SNVBAGLBSA-N -1 0 308.290 -0.386 20 0 DBADRM CC1(C)CN(C(=O)c2cccn(CC(=O)[O-])c2=O)C[C@H](CO)O1 ZINC001603334283 1018165892 /nfs/dbraw/zinc/16/58/92/1018165892.db2.gz VPQPNOPFVUNAAZ-SNVBAGLBSA-N -1 0 324.333 -0.455 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N(CCO)CCN1CCOCC1 ZINC001603322067 1018166443 /nfs/dbraw/zinc/16/64/43/1018166443.db2.gz GGCHETXCDXFXCY-HNNXBMFYSA-N -1 0 314.382 -0.360 20 0 DBADRM CC(C)(C)[C@@H]1NC(=O)N(CCc2cn(CC(=O)[O-])nn2)C1=O ZINC001603317514 1018166501 /nfs/dbraw/zinc/16/65/01/1018166501.db2.gz OSSJLJGSVGZPBS-SNVBAGLBSA-N -1 0 309.326 -0.128 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC001603322427 1018166562 /nfs/dbraw/zinc/16/65/62/1018166562.db2.gz OSIARSMIHXSPFC-ZDUSSCGKSA-N -1 0 319.379 -0.457 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CC(C2CS(=O)(=O)C2)C1 ZINC001603322316 1018167124 /nfs/dbraw/zinc/16/71/24/1018167124.db2.gz LHTLINISVGWUKA-ZDUSSCGKSA-N -1 0 301.364 -0.010 20 0 DBADRM CC(C)(C)[C@H](O)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001603313586 1018167242 /nfs/dbraw/zinc/16/72/42/1018167242.db2.gz RIQIEVJCSJXWRO-WCBMZHEXSA-N -1 0 307.368 -0.506 20 0 DBADRM CC(C)(C)C[C@@H](NC(=O)C1=NN(CCO)C(=O)CC1)C(=O)[O-] ZINC001603323186 1018167600 /nfs/dbraw/zinc/16/76/00/1018167600.db2.gz UNFWSWGJECBRKG-SNVBAGLBSA-N -1 0 313.354 -0.037 20 0 DBADRM CC1(C)[C@@H](NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CS1(=O)=O ZINC001603336552 1018169808 /nfs/dbraw/zinc/16/98/08/1018169808.db2.gz LUAIIDYEVWMBIA-AEJSXWLSSA-N -1 0 319.379 -0.052 20 0 DBADRM CC1=C(C(=O)OCC(=O)NCC(=O)[O-])[C@@H](C)n2ncnc2N1C ZINC001603351669 1018169921 /nfs/dbraw/zinc/16/99/21/1018169921.db2.gz ARKFKYZUFDQXOS-MRVPVSSYSA-N -1 0 323.309 -0.693 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001603352180 1018171006 /nfs/dbraw/zinc/17/10/06/1018171006.db2.gz JLWMWCUKCYYFTD-OUAUKWLOSA-N -1 0 311.338 -0.116 20 0 DBADRM CC1(OCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CCC1 ZINC001603347733 1018171163 /nfs/dbraw/zinc/17/11/63/1018171163.db2.gz MUXFANBXCRIXSP-VIFPVBQESA-N -1 0 305.352 -0.344 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)O1 ZINC001603336492 1018171713 /nfs/dbraw/zinc/17/17/13/1018171713.db2.gz KBDWBKIQOZICCL-UWVGGRQHSA-N -1 0 314.338 -0.423 20 0 DBADRM CC(C)(C)N1CC[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001603344999 1018172196 /nfs/dbraw/zinc/17/21/96/1018172196.db2.gz YXTUJJIOYKXSOZ-UWVGGRQHSA-N -1 0 318.395 -0.431 20 0 DBADRM C[C@]12CN(C(=O)c3ccc(C(=O)[O-])cn3)C[C@]1(C)C(=O)NC2=O ZINC001603347666 1018172360 /nfs/dbraw/zinc/17/23/60/1018172360.db2.gz CRTIQDBPFVQGNT-HUUCEWRRSA-N -1 0 317.301 -0.095 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC3(COC3)C2)C1 ZINC001603354858 1018173633 /nfs/dbraw/zinc/17/36/33/1018173633.db2.gz MHMVFQMJPGDMIC-GHMZBOCLSA-N -1 0 310.350 -0.196 20 0 DBADRM CC(C)(C)OC(=O)[C@@]1(C(=O)N[C@@H](CO)C(=O)[O-])CCCO1 ZINC001603359473 1018173681 /nfs/dbraw/zinc/17/36/81/1018173681.db2.gz YNWYKXPUQCFJHH-SDBXPKJASA-N -1 0 303.311 -0.561 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCn3cnnc3C2)C1 ZINC001603354416 1018173809 /nfs/dbraw/zinc/17/38/09/1018173809.db2.gz GQJAJHPWVBNXLO-NXEZZACHSA-N -1 0 321.337 -0.811 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cn(C)cn2)C1 ZINC001603355415 1018174006 /nfs/dbraw/zinc/17/40/06/1018174006.db2.gz RGVDEXNYPMGFJN-ZJUUUORDSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2nncn2C)C1 ZINC001603355144 1018174204 /nfs/dbraw/zinc/17/42/04/1018174204.db2.gz OMAAZWVBKKICEH-UWVGGRQHSA-N -1 0 323.353 -0.657 20 0 DBADRM CC(C)(C)OC(=O)C1(C(=O)N[C@H](CO)C(=O)[O-])CCOCC1 ZINC001603358681 1018174496 /nfs/dbraw/zinc/17/44/96/1018174496.db2.gz SABCOYQDNYWNQV-SECBINFHSA-N -1 0 317.338 -0.313 20 0 DBADRM C[C@@H]1C(=O)N(NC(=O)C2(CC(=O)[O-])CCOCC2)C(=O)N1C ZINC001603354504 1018174516 /nfs/dbraw/zinc/17/45/16/1018174516.db2.gz JBAHNPIPQAGGLF-MRVPVSSYSA-N -1 0 313.310 -0.428 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)C1 ZINC001603355127 1018174572 /nfs/dbraw/zinc/17/45/72/1018174572.db2.gz OJWIXEJIYUEZOF-DZHLUBAWSA-N -1 0 310.350 -0.604 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCc2cnccn2)C1 ZINC001603355105 1018175282 /nfs/dbraw/zinc/17/52/82/1018175282.db2.gz NTQSAOWSCNUZMI-MNOVXSKESA-N -1 0 320.349 -0.296 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCC(=O)[O-])c2ncnn21 ZINC001603374346 1018176178 /nfs/dbraw/zinc/17/61/78/1018176178.db2.gz BGWZUXINAHARBP-RKDXNWHRSA-N -1 0 309.326 -0.229 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001603373848 1018176228 /nfs/dbraw/zinc/17/62/28/1018176228.db2.gz PPRBVXPFOLOQBC-UHFFFAOYSA-N -1 0 317.338 -0.313 20 0 DBADRM C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC001603375733 1018176576 /nfs/dbraw/zinc/17/65/76/1018176576.db2.gz VPMIXMSAZVJWHV-HFAKWTLXSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCS1(=O)=O ZINC001603374360 1018176967 /nfs/dbraw/zinc/17/69/67/1018176967.db2.gz BXPFQOVCJJISPF-BKPPORCPSA-N -1 0 304.324 -0.702 20 0 DBADRM CC(C)(C)OC(=O)CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001603370757 1018177866 /nfs/dbraw/zinc/17/78/66/1018177866.db2.gz JVCCYOMGTGBAOM-VIFPVBQESA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CN(C)S(=O)(=O)N(C)C ZINC001603380287 1018178306 /nfs/dbraw/zinc/17/83/06/1018178306.db2.gz FHQXNDCQGHRBCD-UWVGGRQHSA-N -1 0 321.399 -0.564 20 0 DBADRM CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N[C@H](CO)C(=O)[O-])C1 ZINC001603379553 1018178709 /nfs/dbraw/zinc/17/87/09/1018178709.db2.gz UPALHKJQOHRRFW-BDAKNGLRSA-N -1 0 320.317 -0.247 20 0 DBADRM C[C@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001603374583 1018178720 /nfs/dbraw/zinc/17/87/20/1018178720.db2.gz FGURSWRBJHTZLN-VHSXEESVSA-N -1 0 324.337 -0.617 20 0 DBADRM C[C@H]1C[C@H](CO)CN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001603376088 1018179204 /nfs/dbraw/zinc/17/92/04/1018179204.db2.gz ZHLYNTSQJJZIMA-QWRGUYRKSA-N -1 0 312.366 -0.214 20 0 DBADRM CC(C)(C)OC(=O)CN1CC[C@@H](N[C@](C)(CO)C(=O)[O-])C1=O ZINC001603373669 1018179390 /nfs/dbraw/zinc/17/93/90/1018179390.db2.gz HGHFGSPFOVZWNJ-YMTOWFKASA-N -1 0 316.354 -0.646 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001603373719 1018179412 /nfs/dbraw/zinc/17/94/12/1018179412.db2.gz JRWANQPKFOKLMH-BXKDBHETSA-N -1 0 316.354 -0.646 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C[C@H]1F ZINC001603416402 1018180515 /nfs/dbraw/zinc/18/05/15/1018180515.db2.gz OMNSHFQSKYHULP-BBBLOLIVSA-N -1 0 302.302 -0.495 20 0 DBADRM C[C@@H]1CCCN(C(=O)[C@@H]2CCN=C3C2=NNN3C)[C@H]1C(=O)[O-] ZINC001603406945 1018180581 /nfs/dbraw/zinc/18/05/81/1018180581.db2.gz DQOMBLZAZTXYBH-FXPVBKGRSA-N -1 0 307.354 -0.078 20 0 DBADRM C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001603416547 1018180836 /nfs/dbraw/zinc/18/08/36/1018180836.db2.gz SQIWJVKITKCKEM-DDHJBXDOSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])[C@H]1CO ZINC001603416138 1018181106 /nfs/dbraw/zinc/18/11/06/1018181106.db2.gz MJIYULCUFZMMTB-MNOVXSKESA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)[C@H]1CO ZINC001603416474 1018182471 /nfs/dbraw/zinc/18/24/71/1018182471.db2.gz RQCMYZDVLAHRJK-KWQFWETISA-N -1 0 307.306 -0.052 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCOCCOCC(=O)[O-])C[C@@H]1CO ZINC001603421798 1018182482 /nfs/dbraw/zinc/18/24/82/1018182482.db2.gz KPEWWKKVLHNCBA-VXGBXAGGSA-N -1 0 318.370 -0.236 20 0 DBADRM C[C@H]1CCN(C(=O)c2cc(C(=O)[O-])nn2C)CCS1(=O)=O ZINC001603425384 1018182883 /nfs/dbraw/zinc/18/28/83/1018182883.db2.gz MIWOSLGXUXGSFQ-QMMMGPOBSA-N -1 0 315.351 -0.233 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])[C@@H]1CO ZINC001603416137 1018183039 /nfs/dbraw/zinc/18/30/39/1018183039.db2.gz MJIYULCUFZMMTB-GHMZBOCLSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001603416548 1018183094 /nfs/dbraw/zinc/18/30/94/1018183094.db2.gz SQIWJVKITKCKEM-NOOOWODRSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCOC[C@@H]2C(=O)[O-])CC(C)(C)O1 ZINC001603442553 1018184195 /nfs/dbraw/zinc/18/41/95/1018184195.db2.gz GMKYVEIGLWDWMA-GHMZBOCLSA-N -1 0 300.355 -0.202 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])C[C@@H](C2CC2)O1 ZINC001603439522 1018184990 /nfs/dbraw/zinc/18/49/90/1018184990.db2.gz OWPNYKNCFTUVRE-KOLCDFICSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@H]1CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCC1=O ZINC001603439337 1018185120 /nfs/dbraw/zinc/18/51/20/1018185120.db2.gz KKCGETHVBGDVFK-VIFPVBQESA-N -1 0 317.363 -0.297 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CCC(=O)[O-])C[C@]2(CCOC2)O1 ZINC001603440479 1018185332 /nfs/dbraw/zinc/18/53/32/1018185332.db2.gz WYODFNPCDQNAAH-YGRLFVJLSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@H]1CCS(=O)(=O)CCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001603433198 1018185683 /nfs/dbraw/zinc/18/56/83/1018185683.db2.gz CSDDQEVHFRUOPJ-UWVGGRQHSA-N -1 0 304.368 -0.819 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCN=C3C2=NNN3C)CC[C@H]1C(=O)[O-] ZINC001603440911 1018185730 /nfs/dbraw/zinc/18/57/30/1018185730.db2.gz VUNFTUXGWOMMEV-BBBLOLIVSA-N -1 0 307.354 -0.220 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)[C@@H](C)CO1 ZINC001603439235 1018185765 /nfs/dbraw/zinc/18/57/65/1018185765.db2.gz MGMNJMQPLUZRNS-IUCAKERBSA-N -1 0 310.310 -0.458 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CCC(=O)[O-])C[C@@]2(CCOC2)O1 ZINC001603440470 1018185806 /nfs/dbraw/zinc/18/58/06/1018185806.db2.gz WYODFNPCDQNAAH-IINYFYTJSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CCO1 ZINC001603438559 1018186266 /nfs/dbraw/zinc/18/62/66/1018186266.db2.gz AXLLTDWHURGYBB-SNVBAGLBSA-N -1 0 314.338 -0.769 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1CCNC(=O)c1cc(C(=O)[O-])nn1C ZINC001603461994 1018188241 /nfs/dbraw/zinc/18/82/41/1018188241.db2.gz WFVWWGUCWZMMAB-ZJUUUORDSA-N -1 0 310.354 -0.043 20 0 DBADRM C[C@H](CC(C)(C)O)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001603451662 1018189748 /nfs/dbraw/zinc/18/97/48/1018189748.db2.gz RPLHUPJUNJIFDR-ZCFIWIBFSA-N -1 0 309.330 -0.373 20 0 DBADRM C[C@H]1CN(CN2C[C@@H](C(=O)[O-])CC2=O)CCS(=O)(=O)C1 ZINC001603460233 1018190366 /nfs/dbraw/zinc/19/03/66/1018190366.db2.gz AUUAENHQICQPDE-UWVGGRQHSA-N -1 0 304.368 -0.757 20 0 DBADRM CC(C)(C)OC(=O)N[C@H]1C[C@H]1C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001603490737 1018192030 /nfs/dbraw/zinc/19/20/30/1018192030.db2.gz LVCMHSAMVJTSDK-YIZRAAEISA-N -1 0 302.327 -0.149 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001603485819 1018192654 /nfs/dbraw/zinc/19/26/54/1018192654.db2.gz GSVUERPUIIONGG-ZETOZRRWSA-N -1 0 310.350 -0.196 20 0 DBADRM CC[C@H](C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)C(=O)OC ZINC001603487730 1018192715 /nfs/dbraw/zinc/19/27/15/1018192715.db2.gz AHIKKVRDCXISFA-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@H](O)C(=O)[O-])C(C)(C)O ZINC001603484254 1018193029 /nfs/dbraw/zinc/19/30/29/1018193029.db2.gz HCOHJHKJZAJGKP-JGVFFNPUSA-N -1 0 320.342 -0.788 20 0 DBADRM C[C@H](C[C@H]1CCOC1)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001603467600 1018193428 /nfs/dbraw/zinc/19/34/28/1018193428.db2.gz XYELYDXGNULMCS-RKDXNWHRSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@@H](C[C@@H]1CCOC1)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001603467275 1018193496 /nfs/dbraw/zinc/19/34/96/1018193496.db2.gz UOKNLHRLTZBMNL-YUMQZZPRSA-N -1 0 321.341 -0.107 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)Cc1nccn1S(=O)(=O)N(C)C ZINC001603500746 1018195225 /nfs/dbraw/zinc/19/52/25/1018195225.db2.gz MMRFZQIPJFOXQY-SECBINFHSA-N -1 0 304.372 -0.167 20 0 DBADRM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)COCC(=O)[O-] ZINC001603513095 1018195318 /nfs/dbraw/zinc/19/53/18/1018195318.db2.gz VVKSCWFYZGFTJO-IUCAKERBSA-N -1 0 304.368 -0.096 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC001603525662 1018195750 /nfs/dbraw/zinc/19/57/50/1018195750.db2.gz NWBBOIPHCXMANZ-DTWKUNHWSA-N -1 0 321.399 -0.483 20 0 DBADRM CC[C@@H](C)[C@@H](O)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603511425 1018196133 /nfs/dbraw/zinc/19/61/33/1018196133.db2.gz ZAZXLAMJOQHVAS-ZJUUUORDSA-N -1 0 321.395 -0.211 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CO)CCC[C@@H]12)C(=O)[O-] ZINC001603548632 1018200277 /nfs/dbraw/zinc/20/02/77/1018200277.db2.gz JPHITLKFWRKDGI-FIXISWKDSA-N -1 0 312.366 -0.023 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1C[C@H](C)C[C@@H](CO)C1)C(=O)[O-] ZINC001603548941 1018202195 /nfs/dbraw/zinc/20/21/95/1018202195.db2.gz MTPSUYCXSDFLIJ-GMTAPVOTSA-N -1 0 300.355 -0.310 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[C@@H](C)O)C(=O)[O-] ZINC001603548437 1018202768 /nfs/dbraw/zinc/20/27/68/1018202768.db2.gz FOJQJTTVXIHKQD-GMTAPVOTSA-N -1 0 300.355 -0.025 20 0 DBADRM CC[C@H](CNC(=O)NC[C@H]1CCO[C@H]1C(=O)OC)C(=O)[O-] ZINC001603562176 1018204375 /nfs/dbraw/zinc/20/43/75/1018204375.db2.gz STQXLMQKFBWZCY-OPRDCNLKSA-N -1 0 302.327 -0.026 20 0 DBADRM CC[C@@H](CNC(=O)NCCn1cc(C(=O)OC)nn1)C(=O)[O-] ZINC001603560587 1018205862 /nfs/dbraw/zinc/20/58/62/1018205862.db2.gz CGKCJHIUDVBYNE-QMMMGPOBSA-N -1 0 313.314 -0.525 20 0 DBADRM CC[C@H](CNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001603560949 1018206007 /nfs/dbraw/zinc/20/60/07/1018206007.db2.gz HVBYKAKGLPJCBC-NXEZZACHSA-N -1 0 321.399 -0.322 20 0 DBADRM CC[C@H](CNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)[O-] ZINC001603552758 1018207481 /nfs/dbraw/zinc/20/74/81/1018207481.db2.gz MQPKCMDLLVNYMD-XLKFXECMSA-N -1 0 311.338 -0.066 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)c1nccn1C ZINC001603607282 1018208970 /nfs/dbraw/zinc/20/89/70/1018208970.db2.gz DPLDTGQEGRRVCQ-HTQZYQBOSA-N -1 0 316.329 -0.370 20 0 DBADRM CC[C@H](O)CCCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603586089 1018209794 /nfs/dbraw/zinc/20/97/94/1018209794.db2.gz JGIICVWYOLTHKL-QWRGUYRKSA-N -1 0 300.355 -0.023 20 0 DBADRM CC[C@H](O)CCCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603586090 1018210027 /nfs/dbraw/zinc/21/00/27/1018210027.db2.gz JGIICVWYOLTHKL-WDEREUQCSA-N -1 0 300.355 -0.023 20 0 DBADRM CC[C@@]1(C)CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC001603608654 1018210124 /nfs/dbraw/zinc/21/01/24/1018210124.db2.gz CGNKVBNSVBXALS-HZMBPMFUSA-N -1 0 314.338 -0.674 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001603582057 1018211322 /nfs/dbraw/zinc/21/13/22/1018211322.db2.gz FWVYBOYDYALEQF-MRVPVSSYSA-N -1 0 310.310 -0.035 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC001603594296 1018211370 /nfs/dbraw/zinc/21/13/70/1018211370.db2.gz SXRNRBXLHYBPKA-ZDUSSCGKSA-N -1 0 318.395 -0.019 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(C)CCCO)C1 ZINC001603593641 1018211498 /nfs/dbraw/zinc/21/14/98/1018211498.db2.gz ISRGEKAVOHKQLM-AWEZNQCLSA-N -1 0 300.355 -0.069 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001603601080 1018211763 /nfs/dbraw/zinc/21/17/63/1018211763.db2.gz QQRQOMIUZPMCIQ-GFCCVEGCSA-N -1 0 306.384 -0.019 20 0 DBADRM CC[C@]1(C)CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC001603608655 1018212210 /nfs/dbraw/zinc/21/22/10/1018212210.db2.gz CGNKVBNSVBXALS-IINYFYTJSA-N -1 0 314.338 -0.674 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001603627533 1018213202 /nfs/dbraw/zinc/21/32/02/1018213202.db2.gz DHAFPCTVRZCSCK-VHSXEESVSA-N -1 0 323.367 -0.167 20 0 DBADRM CCC[C@H](O)[C@H](CO)NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001603633841 1018213653 /nfs/dbraw/zinc/21/36/53/1018213653.db2.gz QGFOHDGENKPUOH-QWRGUYRKSA-N -1 0 303.355 -0.104 20 0 DBADRM CCC1(CO)CCN(C(=O)C(=O)N(C)CCC(=O)[O-])CC1 ZINC001603616960 1018214117 /nfs/dbraw/zinc/21/41/17/1018214117.db2.gz KZRIOPZCFQYVAA-UHFFFAOYSA-N -1 0 300.355 -0.069 20 0 DBADRM CC[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC001603618802 1018214131 /nfs/dbraw/zinc/21/41/31/1018214131.db2.gz WCQVKCQXZIQQJW-HBNTYKKESA-N -1 0 314.338 -0.628 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001603627535 1018214394 /nfs/dbraw/zinc/21/43/94/1018214394.db2.gz DHAFPCTVRZCSCK-ZJUUUORDSA-N -1 0 323.367 -0.167 20 0 DBADRM CC(C)(CNC(=O)C(=O)N1CCC2(C1)OCCO2)CC(=O)[O-] ZINC001603619091 1018215015 /nfs/dbraw/zinc/21/50/15/1018215015.db2.gz XMXGVXCLCJVJTB-UHFFFAOYSA-N -1 0 314.338 -0.421 20 0 DBADRM CC/C=C\Cn1nnnc1N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001603628408 1018215026 /nfs/dbraw/zinc/21/50/26/1018215026.db2.gz LCYNNXRRUMNZOZ-ZFDPJTLLSA-N -1 0 311.342 -0.054 20 0 DBADRM CC(C)(CS(=O)(=O)N1CC[C@]2(CNC(=O)C2)C1)C(=O)[O-] ZINC001603653896 1018215703 /nfs/dbraw/zinc/21/57/03/1018215703.db2.gz KVULHZWNVLQUNM-LBPRGKRZSA-N -1 0 304.368 -0.361 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)CS(N)(=O)=O ZINC001603638401 1018216678 /nfs/dbraw/zinc/21/66/78/1018216678.db2.gz VMWBNDHNDSRDDW-SFYZADRCSA-N -1 0 308.356 -0.951 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCC(OCC(N)=O)CC1)C(=O)[O-] ZINC001603654202 1018216711 /nfs/dbraw/zinc/21/67/11/1018216711.db2.gz POMMSUUEKJZFLE-UHFFFAOYSA-N -1 0 322.383 -0.607 20 0 DBADRM CCCCN(CC(N)=O)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603647374 1018216935 /nfs/dbraw/zinc/21/69/35/1018216935.db2.gz JQJJWWFHRSMDKS-SNVBAGLBSA-N -1 0 313.354 -0.576 20 0 DBADRM CCCNC(=O)CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603674442 1018219407 /nfs/dbraw/zinc/21/94/07/1018219407.db2.gz JIRVJNDIZQSDIW-JTQLQIEISA-N -1 0 313.354 -0.658 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(C)(C)O ZINC001603675066 1018219776 /nfs/dbraw/zinc/21/97/76/1018219776.db2.gz DQGCMGFMQHPFPV-ZCFIWIBFSA-N -1 0 301.328 -0.103 20 0 DBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)C(=O)[O-] ZINC001603681578 1018220287 /nfs/dbraw/zinc/22/02/87/1018220287.db2.gz JWSHNHHCVSVZPT-VIFPVBQESA-N -1 0 321.351 -0.222 20 0 DBADRM CC(C)(O)[C@H](O)C(=O)N1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1 ZINC001603689085 1018221924 /nfs/dbraw/zinc/22/19/24/1018221924.db2.gz WHHOGZRTWDTCHP-FIQHERPVSA-N -1 0 315.366 -0.011 20 0 DBADRM CC(C)(O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001603687112 1018222988 /nfs/dbraw/zinc/22/29/88/1018222988.db2.gz DGIKLWFKJDWXOQ-GMTAPVOTSA-N -1 0 312.366 -0.167 20 0 DBADRM CCC[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)OC ZINC001603692124 1018223628 /nfs/dbraw/zinc/22/36/28/1018223628.db2.gz MIPDNUIEGDPMIS-SNVBAGLBSA-N -1 0 322.383 -0.041 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)OCC(=O)C(C)(C)C(=O)[O-] ZINC001603685901 1018223637 /nfs/dbraw/zinc/22/36/37/1018223637.db2.gz MCWLFKWJZKSBTG-UHFFFAOYSA-N -1 0 309.340 -0.463 20 0 DBADRM CC(C)=C(F)C(=O)NCCN(CCO)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001603696615 1018225770 /nfs/dbraw/zinc/22/57/70/1018225770.db2.gz BHWNKVGSHKSKDH-UWVGGRQHSA-N -1 0 316.329 -0.092 20 0 DBADRM CC(C)=C(F)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001603696614 1018228269 /nfs/dbraw/zinc/22/82/69/1018228269.db2.gz BHWNKVGSHKSKDH-NXEZZACHSA-N -1 0 316.329 -0.092 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001603706557 1018228869 /nfs/dbraw/zinc/22/88/69/1018228869.db2.gz YWUPYBZVRXOTLY-QMMMGPOBSA-N -1 0 324.337 -0.401 20 0 DBADRM CCN(C(=O)c1cc(C(=O)[O-])n[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC001603715465 1018229685 /nfs/dbraw/zinc/22/96/85/1018229685.db2.gz MYWVOMOVMRVTDL-ZETCQYMHSA-N -1 0 301.324 -0.243 20 0 DBADRM CC(C)[C@H](C(=O)NCCn1cc(C(=O)[O-])nn1)N1CCCC1=O ZINC001603709160 1018230460 /nfs/dbraw/zinc/23/04/60/1018230460.db2.gz HQHJISFMTXQHHB-GFCCVEGCSA-N -1 0 323.353 -0.261 20 0 DBADRM CCN(C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)[O-] ZINC001603713954 1018231370 /nfs/dbraw/zinc/23/13/70/1018231370.db2.gz PFPOPDTUTSGXEB-ZJUUUORDSA-N -1 0 306.384 -0.573 20 0 DBADRM CCN(C)C(=O)Cn1nnnc1N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001603724782 1018231827 /nfs/dbraw/zinc/23/18/27/1018231827.db2.gz ZGBYUHGUHLRLTQ-UWVGGRQHSA-N -1 0 310.358 -0.302 20 0 DBADRM CCN(C)C(=O)Cn1nnnc1N1CCC[C@H](CC(=O)[O-])C1 ZINC001603724729 1018231924 /nfs/dbraw/zinc/23/19/24/1018231924.db2.gz UKKMYJPDZWRSSB-SNVBAGLBSA-N -1 0 310.358 -0.158 20 0 DBADRM CCN(CCS(C)(=O)=O)C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001603747273 1018232173 /nfs/dbraw/zinc/23/21/73/1018232173.db2.gz GQRQRBLWXSLZNL-SECBINFHSA-N -1 0 322.383 -0.941 20 0 DBADRM CCN(CCS(C)(=O)=O)C(=O)c1cc(C(=O)[O-])nn1C ZINC001603747389 1018232392 /nfs/dbraw/zinc/23/23/92/1018232392.db2.gz JPVZCBXTCGDEEH-UHFFFAOYSA-N -1 0 303.340 -0.375 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603725429 1018232694 /nfs/dbraw/zinc/23/26/94/1018232694.db2.gz NSWIUXISERVHJA-VHSXEESVSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(C)[C@H](C)N(C)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001603720880 1018232712 /nfs/dbraw/zinc/23/27/12/1018232712.db2.gz FMMDCDARXVNYOP-GARJFASQSA-N -1 0 300.355 -0.217 20 0 DBADRM CCN(CCCNC(=O)N[C@@H](C)CC(=O)[O-])S(C)(=O)=O ZINC001603739124 1018232865 /nfs/dbraw/zinc/23/28/65/1018232865.db2.gz IUARXRIWSUYRFJ-VIFPVBQESA-N -1 0 309.388 -0.180 20 0 DBADRM C[C@H](c1nc(-c2ccn(C)n2)no1)n1cnc(-c2nnn[n-]2)n1 ZINC001603738566 1018233467 /nfs/dbraw/zinc/23/34/67/1018233467.db2.gz IHCYABXMOMXXMS-ZCFIWIBFSA-N -1 0 313.285 -0.149 20 0 DBADRM CC(C)[C@H](CO)ONC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001603723911 1018233516 /nfs/dbraw/zinc/23/35/16/1018233516.db2.gz WARMREHWDRXSDV-VIFPVBQESA-N -1 0 305.331 -0.785 20 0 DBADRM CCN(CC)C(=O)CN1CCN(C(=O)COCC(=O)[O-])CC1 ZINC001603722477 1018233960 /nfs/dbraw/zinc/23/39/60/1018233960.db2.gz KTEVWUFXXVBTJF-UHFFFAOYSA-N -1 0 315.370 -0.900 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001603725824 1018234051 /nfs/dbraw/zinc/23/40/51/1018234051.db2.gz YUCZJHBGZIIPIB-SNVBAGLBSA-N -1 0 313.354 -0.706 20 0 DBADRM CCN1C[C@H](S(=O)(=O)NCC2(C(=O)[O-])CCC2)CC1=O ZINC001603757373 1018235489 /nfs/dbraw/zinc/23/54/89/1018235489.db2.gz YEJXVNPLRDJZFM-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CCN1CC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001603760443 1018236659 /nfs/dbraw/zinc/23/66/59/1018236659.db2.gz SSSQLWWNWWEDBZ-RYUDHWBXSA-N -1 0 311.382 -0.090 20 0 DBADRM CC(C)C1(S(=O)(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])CC1 ZINC001603751037 1018237387 /nfs/dbraw/zinc/23/73/87/1018237387.db2.gz WUJIDOVYSUDIMB-SECBINFHSA-N -1 0 304.368 -0.268 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001603777399 1018238524 /nfs/dbraw/zinc/23/85/24/1018238524.db2.gz YMNVTHGASVYQNN-BDAKNGLRSA-N -1 0 323.367 -0.422 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCCC(=O)[O-] ZINC001603780444 1018238566 /nfs/dbraw/zinc/23/85/66/1018238566.db2.gz POXJZUZTYSWRKP-RKDXNWHRSA-N -1 0 302.327 -0.186 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001603777401 1018238637 /nfs/dbraw/zinc/23/86/37/1018238637.db2.gz YMNVTHGASVYQNN-IUCAKERBSA-N -1 0 323.367 -0.422 20 0 DBADRM CCN1CCOC[C@H]1C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001603767936 1018239078 /nfs/dbraw/zinc/23/90/78/1018239078.db2.gz IGMGKLXVCOXLIV-OLZOCXBDSA-N -1 0 307.350 -0.086 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)CS(C)(=O)=O)C(=O)[O-] ZINC001603776693 1018239606 /nfs/dbraw/zinc/23/96/06/1018239606.db2.gz KSUPMXUFUDZAGI-MRVPVSSYSA-N -1 0 309.340 -0.810 20 0 DBADRM CCNC(=O)CCCC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001603767574 1018240126 /nfs/dbraw/zinc/24/01/26/1018240126.db2.gz BSCCSQQFFNZXCG-AWEZNQCLSA-N -1 0 316.354 -0.379 20 0 DBADRM CCOC(=O)N1CCCN(C(=O)C(=O)NCCC(=O)[O-])CC1 ZINC001603803674 1018241709 /nfs/dbraw/zinc/24/17/09/1018241709.db2.gz UFCMRWNABMEWPN-UHFFFAOYSA-N -1 0 315.326 -0.732 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001603792436 1018242518 /nfs/dbraw/zinc/24/25/18/1018242518.db2.gz ULKUMFMXFSYUEK-AEJSXWLSSA-N -1 0 300.311 -0.177 20 0 DBADRM CC(C)CN1N=C(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CCC1=O ZINC001603816677 1018244226 /nfs/dbraw/zinc/24/42/26/1018244226.db2.gz UTUMBYBPLBKCLM-MWLCHTKSSA-N -1 0 311.338 -0.333 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001603808639 1018245352 /nfs/dbraw/zinc/24/53/52/1018245352.db2.gz RHIQYGNWFYDNMY-LKFCYVNXSA-N -1 0 319.321 -0.470 20 0 DBADRM CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)[C@H](OC)C(=O)[O-])n1 ZINC001603819335 1018245473 /nfs/dbraw/zinc/24/54/73/1018245473.db2.gz VANJHFMPYKPJKA-RITPCOANSA-N -1 0 300.271 -0.742 20 0 DBADRM CC(C)CN1N=C(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)CCC1=O ZINC001603817180 1018246840 /nfs/dbraw/zinc/24/68/40/1018246840.db2.gz IXHPIUDSMDGQBW-DEZZCRIOSA-N -1 0 311.338 -0.285 20 0 DBADRM C[C@]1(CNS(=O)(=O)c2cccnc2-c2nnn[n-]2)CCOC1 ZINC001603808311 1018247577 /nfs/dbraw/zinc/24/75/77/1018247577.db2.gz ZUEJGNLTMXDFLO-GFCCVEGCSA-N -1 0 324.366 -0.033 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001500132797 1018248966 /nfs/dbraw/zinc/24/89/66/1018248966.db2.gz ZDEDJNQFGRMPIK-MNOVXSKESA-N -1 0 322.369 -0.788 20 0 DBADRM C[C@@H]1[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)CCN1C(=O)C1CC1 ZINC001603836152 1018250821 /nfs/dbraw/zinc/25/08/21/1018250821.db2.gz IDDMPHLPSALTKF-SCZZXKLOSA-N -1 0 314.353 -0.110 20 0 DBADRM CCO[C@@H]1C[C@H](OC(=O)[C@@H](C)C(=O)[O-])[C@H]1N1C(=O)CCC1=O ZINC001603828669 1018250923 /nfs/dbraw/zinc/25/09/23/1018250923.db2.gz KVYHDRUWBWIIEB-NHRVJRKFSA-N -1 0 313.306 -0.055 20 0 DBADRM C[C@H]1[C@H](Nc2ccnc(-c3nnn[n-]3)n2)CCN1C(=O)C1CC1 ZINC001603836156 1018251097 /nfs/dbraw/zinc/25/10/97/1018251097.db2.gz IDDMPHLPSALTKF-WCBMZHEXSA-N -1 0 314.353 -0.110 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CC[C@@H]1C(N)=O)C(=O)[O-] ZINC001603840443 1018251378 /nfs/dbraw/zinc/25/13/78/1018251378.db2.gz QJEKLLGVVRYOGK-AEJSXWLSSA-N -1 0 313.354 -0.770 20 0 DBADRM CCON(C)C(=O)CNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001603842431 1018252442 /nfs/dbraw/zinc/25/24/42/1018252442.db2.gz AGDUCPAGYYTKQI-NXEZZACHSA-N -1 0 302.327 -0.218 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)CO[C@@H]1CCOC1)C(=O)[O-] ZINC001603841127 1018252988 /nfs/dbraw/zinc/25/29/88/1018252988.db2.gz ZLPXDPZJHJTNOE-MNOVXSKESA-N -1 0 316.354 -0.476 20 0 DBADRM CC(C)N(CCN(C)c1ncc(C(=O)[O-])cn1)C(=O)C(N)=O ZINC001603879525 1018256772 /nfs/dbraw/zinc/25/67/72/1018256772.db2.gz GDLMIXUBSLIZPE-UHFFFAOYSA-N -1 0 309.326 -0.667 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C1=O ZINC001603887786 1018256978 /nfs/dbraw/zinc/25/69/78/1018256978.db2.gz IKDMHBJRHWZLLA-DCAQKATOSA-N -1 0 313.354 -0.121 20 0 DBADRM C[C@H]1C[C@H]1c1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n[nH]1 ZINC001603871529 1018257111 /nfs/dbraw/zinc/25/71/11/1018257111.db2.gz OKUYBQOIGFZROC-NKWVEPMBSA-N -1 0 314.313 -0.057 20 0 DBADRM CCOc1cnc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001603885599 1018257860 /nfs/dbraw/zinc/25/78/60/1018257860.db2.gz UAXHZHXWMBXHKG-VIFPVBQESA-N -1 0 309.278 -0.282 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)C2(CC(=O)[O-])CCOCC2)C1 ZINC001603886149 1018258188 /nfs/dbraw/zinc/25/81/88/1018258188.db2.gz XEPAUOLERRZBKR-UHFFFAOYSA-N -1 0 319.379 -0.097 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001603886143 1018258205 /nfs/dbraw/zinc/25/82/05/1018258205.db2.gz WZZPQHIKDULARE-JTQLQIEISA-N -1 0 300.336 -0.372 20 0 DBADRM C[C@H]1C[C@@H]1c1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n[nH]1 ZINC001603871528 1018258456 /nfs/dbraw/zinc/25/84/56/1018258456.db2.gz OKUYBQOIGFZROC-BQBZGAKWSA-N -1 0 314.313 -0.057 20 0 DBADRM CC(C)NC(=O)NC(=O)[C@@H](C)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001603900733 1018259361 /nfs/dbraw/zinc/25/93/61/1018259361.db2.gz VXCGTSMJEIYKOA-AEJSXWLSSA-N -1 0 301.343 -0.217 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001603905520 1018259399 /nfs/dbraw/zinc/25/93/99/1018259399.db2.gz VPNKKDVITASWDA-MYJAWHEDSA-N -1 0 319.383 -0.714 20 0 DBADRM CC(C)NC(=O)CN1CCN(Cc2cn(CC(=O)[O-])nn2)CC1 ZINC001603899139 1018259541 /nfs/dbraw/zinc/25/95/41/1018259541.db2.gz XYSVGDDHLJANFW-UHFFFAOYSA-N -1 0 324.385 -0.995 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001603894750 1018259919 /nfs/dbraw/zinc/25/99/19/1018259919.db2.gz UMCLPCLZONCHDB-UHFFFAOYSA-N -1 0 301.324 0.000 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001603905302 1018261131 /nfs/dbraw/zinc/26/11/31/1018261131.db2.gz RIMKSNYEIQWIHO-RKDXNWHRSA-N -1 0 307.372 -0.666 20 0 DBADRM C[C@H]1COCC[C@@H]1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603946932 1018267270 /nfs/dbraw/zinc/26/72/70/1018267270.db2.gz FCVACXASMBINBZ-IUCAKERBSA-N -1 0 321.345 -0.818 20 0 DBADRM CCc1cc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc(=O)[nH]1 ZINC001603967737 1018268465 /nfs/dbraw/zinc/26/84/65/1018268465.db2.gz GXJCSTJVDDNJFR-UHFFFAOYSA-N -1 0 307.306 -0.281 20 0 DBADRM CCC(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001603967332 1018268721 /nfs/dbraw/zinc/26/87/21/1018268721.db2.gz LRRDYDPGLXWGDO-SECBINFHSA-N -1 0 320.357 -0.678 20 0 DBADRM CCc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])no1 ZINC001603967508 1018269353 /nfs/dbraw/zinc/26/93/53/1018269353.db2.gz FOSBLGLTKGJDDY-SECBINFHSA-N -1 0 302.308 -0.439 20 0 DBADRM CCC(=O)N1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001603968017 1018271124 /nfs/dbraw/zinc/27/11/24/1018271124.db2.gz SBDPWUPVKGAVSL-IUCAKERBSA-N -1 0 302.342 -0.110 20 0 DBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)C(N)=O ZINC001603964677 1018271557 /nfs/dbraw/zinc/27/15/57/1018271557.db2.gz LNWUMTUWUCZLDR-SECBINFHSA-N -1 0 310.310 -0.712 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC001603979566 1018274390 /nfs/dbraw/zinc/27/43/90/1018274390.db2.gz OMRDRJDFHQLOKN-BDAKNGLRSA-N -1 0 314.367 -0.052 20 0 DBADRM CCc1ccc(NC(=O)[C@H](OC)C(=O)[O-])cc1S(N)(=O)=O ZINC001603974919 1018276107 /nfs/dbraw/zinc/27/61/07/1018276107.db2.gz QGZPUHOPNQKDNJ-JTQLQIEISA-N -1 0 316.335 -0.066 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)CN(C)C(=O)C1CC1)C(=O)[O-] ZINC001603973003 1018276602 /nfs/dbraw/zinc/27/66/02/1018276602.db2.gz ACHVHTHQNOKQHR-LBPRGKRZSA-N -1 0 314.338 -0.377 20 0 DBADRM CC(C)[C@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)C(=O)[O-] ZINC001603978905 1018276837 /nfs/dbraw/zinc/27/68/37/1018276837.db2.gz SRFSXWYNRVRBOY-LBPRGKRZSA-N -1 0 319.321 -0.346 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC[C@@H](OCCO)C1)C(=O)[O-] ZINC001603972863 1018276932 /nfs/dbraw/zinc/27/69/32/1018276932.db2.gz NOGZXNFIKKCNFT-YPMHNXCESA-N -1 0 302.371 -0.315 20 0 DBADRM CCn1cncc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c1=O ZINC001604017794 1018278353 /nfs/dbraw/zinc/27/83/53/1018278353.db2.gz BVHVCHWUXMZJHI-VIFPVBQESA-N -1 0 322.321 -0.475 20 0 DBADRM CCC(CC)NC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001604027495 1018278493 /nfs/dbraw/zinc/27/84/93/1018278493.db2.gz HBSONUKNEGFCDU-UHFFFAOYSA-N -1 0 321.341 -0.176 20 0 DBADRM CCc1nc(N)nc(SCCS(=O)(=O)CC(=O)[O-])n1 ZINC001603983728 1018279855 /nfs/dbraw/zinc/27/98/55/1018279855.db2.gz CHEXIDDAPLNDLI-UHFFFAOYSA-N -1 0 306.369 -0.392 20 0 DBADRM CCn1nc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)ccc1=O ZINC001604018546 1018279974 /nfs/dbraw/zinc/27/99/74/1018279974.db2.gz RCZHFOKBHLAJQH-SECBINFHSA-N -1 0 309.278 -0.895 20 0 DBADRM CN(C(=O)COC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C1CC1 ZINC001604028883 1018280377 /nfs/dbraw/zinc/28/03/77/1018280377.db2.gz UZFMYMTUPWPJHY-JTQLQIEISA-N -1 0 312.322 -0.526 20 0 DBADRM CC(C)c1nnc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)[nH]1 ZINC001604020862 1018280704 /nfs/dbraw/zinc/28/07/04/1018280704.db2.gz BECPJWKSYLPHKX-VIFPVBQESA-N -1 0 323.353 -0.133 20 0 DBADRM CC[C@@H](C)CN(C)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001604004618 1018280827 /nfs/dbraw/zinc/28/08/27/1018280827.db2.gz JDUSLPKKMLTWSG-MRVPVSSYSA-N -1 0 321.341 -0.367 20 0 DBADRM CC(C)n1ccc(CC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])n1 ZINC001604037402 1018281524 /nfs/dbraw/zinc/28/15/24/1018281524.db2.gz XFUJOWCFIYLZLT-NSHDSACASA-N -1 0 306.326 -0.132 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)nn1 ZINC001604040515 1018281527 /nfs/dbraw/zinc/28/15/27/1018281527.db2.gz DSNSFMJCJVBXMU-BDAKNGLRSA-N -1 0 309.326 -0.651 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cc(C(=O)[O-])n[nH]2)O1 ZINC001604040486 1018282126 /nfs/dbraw/zinc/28/21/26/1018282126.db2.gz AMXSSXIERDJJHH-XVKPBYJWSA-N -1 0 310.310 -0.527 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC001604105384 1018295251 /nfs/dbraw/zinc/29/52/51/1018295251.db2.gz QZWGDYAOGUTANI-ZJUUUORDSA-N -1 0 322.383 -0.736 20 0 DBADRM CC(C)n1ncc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])c1N ZINC001604043015 1018285193 /nfs/dbraw/zinc/28/51/93/1018285193.db2.gz NUDKMHJBHCFHHG-VIFPVBQESA-N -1 0 312.326 -0.008 20 0 DBADRM CN(C)C(=O)CN1CCCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001604041354 1018285304 /nfs/dbraw/zinc/28/53/04/1018285304.db2.gz YHSUYHUIEIDADO-UHFFFAOYSA-N -1 0 311.382 -0.136 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001604055963 1018287011 /nfs/dbraw/zinc/28/70/11/1018287011.db2.gz RTNALIPUIPNLCH-VQCYPWCPSA-N -1 0 308.338 -0.083 20 0 DBADRM CN(C)[C@H](CNC(=O)c1cn(CC(=O)[O-])nn1)c1ccco1 ZINC001604053066 1018287527 /nfs/dbraw/zinc/28/75/27/1018287527.db2.gz JBFVGXFDNIPPGD-SNVBAGLBSA-N -1 0 307.310 -0.012 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC001604053182 1018288197 /nfs/dbraw/zinc/28/81/97/1018288197.db2.gz GXGVFURZDVQSSK-BIPIGHIPSA-N -1 0 306.282 -0.067 20 0 DBADRM CC(C)n1nnc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1 ZINC001604047861 1018288765 /nfs/dbraw/zinc/28/87/65/1018288765.db2.gz GMNLHBBLEGRHTN-MRVPVSSYSA-N -1 0 310.314 -0.484 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001604075664 1018289100 /nfs/dbraw/zinc/28/91/00/1018289100.db2.gz PXZVHOCRAPYEJP-QMMMGPOBSA-N -1 0 309.388 -0.755 20 0 DBADRM C[C@H](CC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-])NC(N)=O ZINC001604068501 1018289755 /nfs/dbraw/zinc/28/97/55/1018289755.db2.gz FZUUWGZLJMQKFY-BBBLOLIVSA-N -1 0 301.343 -0.181 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)CCn1cnnn1)c1ccccn1 ZINC001604078483 1018291703 /nfs/dbraw/zinc/29/17/03/1018291703.db2.gz OQLDAICWLKLSCX-CYBMUJFWSA-N -1 0 304.310 -0.036 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001604095262 1018294128 /nfs/dbraw/zinc/29/41/28/1018294128.db2.gz SGPPCHHXIGDYNG-SSDOTTSWSA-N -1 0 314.385 -0.729 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O ZINC001604106532 1018294632 /nfs/dbraw/zinc/29/46/32/1018294632.db2.gz ZAPQLAWPBWCVHB-NXEZZACHSA-N -1 0 321.399 -0.339 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC001604104731 1018294672 /nfs/dbraw/zinc/29/46/72/1018294672.db2.gz BCFJYWUZNKPBGQ-NSHDSACASA-N -1 0 322.365 -0.070 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)c1cnn(C[C@@H](O)CO)c1)C1CC1 ZINC001604088674 1018296306 /nfs/dbraw/zinc/29/63/06/1018296306.db2.gz XIHOYOYDVQOPJL-BXUZGUMPSA-N -1 0 311.338 -0.391 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC001604104637 1018296488 /nfs/dbraw/zinc/29/64/88/1018296488.db2.gz UTCFCBMSXYKVEO-MRVPVSSYSA-N -1 0 307.372 -0.906 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 ZINC001604095007 1018296624 /nfs/dbraw/zinc/29/66/24/1018296624.db2.gz MHKHOHCKGWOUKN-LURJTMIESA-N -1 0 304.328 -0.924 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001604124244 1018297030 /nfs/dbraw/zinc/29/70/30/1018297030.db2.gz FFBFYURNYXFWSQ-NWDGAFQWSA-N -1 0 312.366 -0.167 20 0 DBADRM CN(CC1(CO)CC1)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001604124667 1018297424 /nfs/dbraw/zinc/29/74/24/1018297424.db2.gz MOOSVAZSIGRKOX-UHFFFAOYSA-N -1 0 307.306 -0.051 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001604124801 1018297463 /nfs/dbraw/zinc/29/74/63/1018297463.db2.gz RNBZQFNTDACECG-HTAVTVPLSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2ccn(C)n2)CC1 ZINC001604114969 1018298691 /nfs/dbraw/zinc/29/86/91/1018298691.db2.gz YFXBAHZKXYSCHU-SNVBAGLBSA-N -1 0 316.383 -0.410 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)C2(S(C)(=O)=O)CC2)CC1 ZINC001604112843 1018299544 /nfs/dbraw/zinc/29/95/44/1018299544.db2.gz DPNSJRNSBDIFGF-SNVBAGLBSA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1cnn(C2CCC2)c1)C(=O)[O-] ZINC001604198077 1018320831 /nfs/dbraw/zinc/32/08/31/1018320831.db2.gz ANWXVCCBPPWKOG-NSHDSACASA-N -1 0 303.340 -0.278 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)NCCCNc1ccnc(C(=O)[O-])n1 ZINC001604124974 1018300552 /nfs/dbraw/zinc/30/05/52/1018300552.db2.gz HORHDMFHWJWFOT-QMMMGPOBSA-N -1 0 309.326 -0.974 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)Cc1cccc(C(N)=O)c1 ZINC001604134331 1018302103 /nfs/dbraw/zinc/30/21/03/1018302103.db2.gz XKDWCMNLKLSUIG-UHFFFAOYSA-N -1 0 321.333 -0.323 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC001604134313 1018302865 /nfs/dbraw/zinc/30/28/65/1018302865.db2.gz WGLAIMZFQZTSKX-CQSZACIVSA-N -1 0 314.338 -0.673 20 0 DBADRM CCC[C@H](C)[C@@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604134474 1018303091 /nfs/dbraw/zinc/30/30/91/1018303091.db2.gz HAHVGUTUCYWPPQ-JGVFFNPUSA-N -1 0 323.357 -0.125 20 0 DBADRM CCC[C@@](C)(O)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604127655 1018303571 /nfs/dbraw/zinc/30/35/71/1018303571.db2.gz DAQAQRNKMYVCKD-GFCCVEGCSA-N -1 0 309.330 -0.371 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)NC/C=C\CNc1ncc(C(=O)[O-])cn1 ZINC001604125291 1018304309 /nfs/dbraw/zinc/30/43/09/1018304309.db2.gz NMDYUZVJJCAXND-XADBCAIWSA-N -1 0 321.337 -0.229 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC001604155716 1018306716 /nfs/dbraw/zinc/30/67/16/1018306716.db2.gz NAUPSOAMDBQHEV-UHFFFAOYSA-N -1 0 319.321 -0.397 20 0 DBADRM CCC[C@@H](O)[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001604144821 1018307410 /nfs/dbraw/zinc/30/74/10/1018307410.db2.gz MJFVYGKRFJKJMR-GHMZBOCLSA-N -1 0 321.337 -0.176 20 0 DBADRM C[C@H](CN(C)S(C)(=O)=O)OC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001604159274 1018309238 /nfs/dbraw/zinc/30/92/38/1018309238.db2.gz OJSYXZQIINYVFZ-HRDYMLBCSA-N -1 0 309.340 -0.558 20 0 DBADRM C[C@H](CN1CCOCC1)NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001604167788 1018309382 /nfs/dbraw/zinc/30/93/82/1018309382.db2.gz SPZOWDCKFOAAPN-SNVBAGLBSA-N -1 0 306.384 -0.366 20 0 DBADRM C[C@H](CN1CCCC1=O)NC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001604164483 1018309733 /nfs/dbraw/zinc/30/97/33/1018309733.db2.gz BHDCCQNPHMZYCU-VWYCJHECSA-N -1 0 313.354 -0.526 20 0 DBADRM C[C@@H](CN1CCOCC1)NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001604167787 1018310041 /nfs/dbraw/zinc/31/00/41/1018310041.db2.gz SPZOWDCKFOAAPN-JTQLQIEISA-N -1 0 306.384 -0.366 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)C1CC1 ZINC001604168167 1018310862 /nfs/dbraw/zinc/31/08/62/1018310862.db2.gz GQNMYKALXKIMBU-BJOHPYRUSA-N -1 0 323.349 -0.019 20 0 DBADRM C[C@H](CNC(=O)[C@@H](C)CC(N)=O)CNc1ncc(C(=O)[O-])cn1 ZINC001604172203 1018311289 /nfs/dbraw/zinc/31/12/89/1018311289.db2.gz SCGXNSSKUIQBGE-BDAKNGLRSA-N -1 0 323.353 -0.150 20 0 DBADRM C[C@H](CNC(=O)CCCC(N)=O)N(C)c1ncc(C(=O)[O-])cn1 ZINC001604173744 1018311553 /nfs/dbraw/zinc/31/15/53/1018311553.db2.gz COHBENWKSXVXLS-SECBINFHSA-N -1 0 323.353 -0.229 20 0 DBADRM C[C@H](CNC(=O)[C@]1(F)CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001604173389 1018311765 /nfs/dbraw/zinc/31/17/65/1018311765.db2.gz SMLLHHRLISTEJZ-OQPBUACISA-N -1 0 312.301 -0.358 20 0 DBADRM C[C@@H](CNC(=O)Cn1cncn1)N(C)c1ncc(C(=O)[O-])cn1 ZINC001604174009 1018311777 /nfs/dbraw/zinc/31/17/77/1018311777.db2.gz HRUUWNCHHPIEQS-VIFPVBQESA-N -1 0 319.325 -0.593 20 0 DBADRM C[C@@H](CNC(=O)C(C)(C)C(N)=O)N(C)c1ncc(C(=O)[O-])cn1 ZINC001604171631 1018312972 /nfs/dbraw/zinc/31/29/72/1018312972.db2.gz BPWDOUXXMVOCSF-QMMMGPOBSA-N -1 0 323.353 -0.373 20 0 DBADRM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001604183631 1018313937 /nfs/dbraw/zinc/31/39/37/1018313937.db2.gz NHZWAYMGMTXIHO-RTHLEPHNSA-N -1 0 321.337 -0.240 20 0 DBADRM C[C@@H](CNC(=O)c1cccc(=O)[nH]1)Nc1ccnc(C(=O)[O-])n1 ZINC001604184484 1018314003 /nfs/dbraw/zinc/31/40/03/1018314003.db2.gz LUHXITGDEQGUSB-QMMMGPOBSA-N -1 0 317.305 -0.072 20 0 DBADRM C[C@H](CNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC001604181040 1018314069 /nfs/dbraw/zinc/31/40/69/1018314069.db2.gz NPUWKAQIYZWQAK-KCJUWKMLSA-N -1 0 312.297 -0.247 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC001604206031 1018323060 /nfs/dbraw/zinc/32/30/60/1018323060.db2.gz CCQPBHZVHDSCFG-RKDXNWHRSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1cnnn1C ZINC001604190502 1018315029 /nfs/dbraw/zinc/31/50/29/1018315029.db2.gz MGFUKJYTNRVHBM-MRVPVSSYSA-N -1 0 319.325 -0.702 20 0 DBADRM C[C@H](CNC(=O)c1cnns1)CNc1ccnc(C(=O)[O-])n1 ZINC001604184476 1018315479 /nfs/dbraw/zinc/31/54/79/1018315479.db2.gz WEZHPNFALCHTCY-ZETCQYMHSA-N -1 0 322.350 -0.074 20 0 DBADRM CN(OCC(F)(F)F)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001604194671 1018316214 /nfs/dbraw/zinc/31/62/14/1018316214.db2.gz AHNQOCRWKKKCDG-LURJTMIESA-N -1 0 314.216 -0.749 20 0 DBADRM CN1C(=O)NCC12CCN(C(=O)[C@@]1(C(=O)[O-])CCCO1)CC2 ZINC001604197000 1018316502 /nfs/dbraw/zinc/31/65/02/1018316502.db2.gz SSVMIVCEFMTBOF-CQSZACIVSA-N -1 0 311.338 -0.364 20 0 DBADRM C[C@](CO)(NC(=O)c1cn(Cc2ccccc2)nn1)C(=O)[O-] ZINC001604193512 1018316663 /nfs/dbraw/zinc/31/66/63/1018316663.db2.gz QYEWHTLNOKARTE-CQSZACIVSA-N -1 0 304.306 -0.108 20 0 DBADRM C[C@](CO)(NC(=O)CCCS(=O)(=O)N1CCCC1)C(=O)[O-] ZINC001604192041 1018316703 /nfs/dbraw/zinc/31/67/03/1018316703.db2.gz SXDZQTMXYADWCH-GFCCVEGCSA-N -1 0 322.383 -0.856 20 0 DBADRM C[C@@](CO)(NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)C(=O)[O-] ZINC001604191817 1018317114 /nfs/dbraw/zinc/31/71/14/1018317114.db2.gz QWDFHPCBKGVKGI-CJNGLKHVSA-N -1 0 322.361 -0.161 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001604191062 1018318318 /nfs/dbraw/zinc/31/83/18/1018318318.db2.gz QPMKFJUMQXRIEO-RKDXNWHRSA-N -1 0 321.337 -0.866 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1ccc(Cl)nc1F)C(=O)[O-] ZINC001604198861 1018319992 /nfs/dbraw/zinc/31/99/92/1018319992.db2.gz MJILJZJHDFIJRE-VIFPVBQESA-N -1 0 312.706 -0.012 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001604200061 1018319577 /nfs/dbraw/zinc/31/95/77/1018319577.db2.gz UUZBCDVZRWTRTH-UHFFFAOYSA-N -1 0 314.327 -0.224 20 0 DBADRM C[C@](CO)(NS(=O)(=O)Cc1ccc(Cl)nc1)C(=O)[O-] ZINC001604198663 1018319697 /nfs/dbraw/zinc/31/96/97/1018319697.db2.gz KPMSTKCNQDKJAH-SNVBAGLBSA-N -1 0 308.743 -0.010 20 0 DBADRM C[C@H](CO)CCCNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001604198672 1018320107 /nfs/dbraw/zinc/32/01/07/1018320107.db2.gz KSUXGZQYUKFSBH-GARJFASQSA-N -1 0 300.355 -0.167 20 0 DBADRM CN1CC[C@H](C(=O)NC2(CC(=O)[O-])CCOCC2)S1(=O)=O ZINC001604203537 1018320431 /nfs/dbraw/zinc/32/04/31/1018320431.db2.gz VSCNZZCBDDJFRU-SECBINFHSA-N -1 0 320.367 -0.840 20 0 DBADRM CCCN(CC)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001604200605 1018320587 /nfs/dbraw/zinc/32/05/87/1018320587.db2.gz PGOMLJSSGIZEOD-UHFFFAOYSA-N -1 0 307.314 -0.613 20 0 DBADRM C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001604199148 1018320994 /nfs/dbraw/zinc/32/09/94/1018320994.db2.gz UJDIMTOSDYHVCP-KXUCPTDWSA-N -1 0 304.318 -0.465 20 0 DBADRM C[C@@H](CO)C1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC001604198163 1018321021 /nfs/dbraw/zinc/32/10/21/1018321021.db2.gz BWLLPUGEWFZFCE-JTQLQIEISA-N -1 0 308.400 -0.022 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001604210855 1018323884 /nfs/dbraw/zinc/32/38/84/1018323884.db2.gz MCDSVONIUBHFJK-MRVPVSSYSA-N -1 0 300.336 -0.128 20 0 DBADRM C[C@@H](C[S@@](C)=O)N(C)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001604211843 1018326160 /nfs/dbraw/zinc/32/61/60/1018326160.db2.gz XVEQUGGYZXNWAV-JLTPVHFHSA-N -1 0 314.363 -0.228 20 0 DBADRM C[C@H](Cc1ccc(NC(=O)C(=O)NC(CO)CO)cc1)C(=O)[O-] ZINC001604223786 1018326248 /nfs/dbraw/zinc/32/62/48/1018326248.db2.gz JDRBOZNMQJJJNO-SECBINFHSA-N -1 0 324.333 -0.642 20 0 DBADRM CNC(=O)[C@H](CCSC)NC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001604239953 1018329592 /nfs/dbraw/zinc/32/95/92/1018329592.db2.gz JDXQWQVKHPQGPR-POYBYMJQSA-N -1 0 303.340 -0.800 20 0 DBADRM CNC(=O)NCCC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001604241236 1018329126 /nfs/dbraw/zinc/32/91/26/1018329126.db2.gz UGEJOARUEVBJAP-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM CN1CCn2c(CNC(=O)C3(C(=O)[O-])CC=CC3)nnc2C1=O ZINC001604230969 1018329278 /nfs/dbraw/zinc/32/92/78/1018329278.db2.gz BJXFVDXYRWARLP-UHFFFAOYSA-N -1 0 319.321 -0.599 20 0 DBADRM CNC(=O)OC[C@@H]1CCCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001604240097 1018329293 /nfs/dbraw/zinc/32/92/93/1018329293.db2.gz UDERGQRXJRXONK-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM CNC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001604232887 1018329432 /nfs/dbraw/zinc/32/94/32/1018329432.db2.gz ZUYNICHZADKOEW-VIFPVBQESA-N -1 0 319.317 -0.082 20 0 DBADRM CN1C[C@@H](n2nnnc2N2CCC[C@@H](CC(=O)[O-])C2)CC1=O ZINC001604231399 1018329791 /nfs/dbraw/zinc/32/97/91/1018329791.db2.gz PKGHZVSVKJXPLM-UWVGGRQHSA-N -1 0 308.342 -0.233 20 0 DBADRM CNC(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC001604231921 1018329803 /nfs/dbraw/zinc/32/98/03/1018329803.db2.gz KCLVBCJCFCCQQU-VHSXEESVSA-N -1 0 313.354 -0.946 20 0 DBADRM CNC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC001604231923 1018329854 /nfs/dbraw/zinc/32/98/54/1018329854.db2.gz KCLVBCJCFCCQQU-ZJUUUORDSA-N -1 0 313.354 -0.946 20 0 DBADRM CNC(=O)CNC(=O)c1cccc(NC(=O)N[C@@H](C)C(=O)[O-])c1 ZINC001604237012 1018330666 /nfs/dbraw/zinc/33/06/66/1018330666.db2.gz MHEMEALXFLUHBD-QMMMGPOBSA-N -1 0 322.321 -0.243 20 0 DBADRM CNC(=O)OC[C@H]1CCCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001604240096 1018330752 /nfs/dbraw/zinc/33/07/52/1018330752.db2.gz UDERGQRXJRXONK-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604246862 1018331337 /nfs/dbraw/zinc/33/13/37/1018331337.db2.gz JVDHXOLKUJPVIF-JTQLQIEISA-N -1 0 311.342 -0.448 20 0 DBADRM CNS(=O)(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001604248938 1018331471 /nfs/dbraw/zinc/33/14/71/1018331471.db2.gz BUEHSWACZHSBMO-BDAKNGLRSA-N -1 0 302.356 -0.626 20 0 DBADRM C[C@@](Cn1cccn1)(NS(=O)(=O)C[C@H]1CCOC1)C(=O)[O-] ZINC001604243230 1018331554 /nfs/dbraw/zinc/33/15/54/1018331554.db2.gz BXACTUHMNGVMCF-JQWIXIFHSA-N -1 0 317.367 -0.318 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)c1ccnc2n[nH]nc21)C(=O)[O-] ZINC001604245015 1018331878 /nfs/dbraw/zinc/33/18/78/1018331878.db2.gz SGAIQCJNZZUVJP-ZDUSSCGKSA-N -1 0 315.293 -0.177 20 0 DBADRM C[C@H](Cc1cnn(C)c1)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001604243494 1018331941 /nfs/dbraw/zinc/33/19/41/1018331941.db2.gz QHWFYXQYELPSKR-SSDOTTSWSA-N -1 0 313.339 -0.249 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001604248491 1018332001 /nfs/dbraw/zinc/33/20/01/1018332001.db2.gz FHOVZTKJTNRFEZ-NXEZZACHSA-N -1 0 309.326 -0.894 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)C1 ZINC001604249007 1018332181 /nfs/dbraw/zinc/33/21/81/1018332181.db2.gz CVXUORRPNNASLQ-PRHODGIISA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@H](Cn1cncn1)N1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001604248978 1018332756 /nfs/dbraw/zinc/33/27/56/1018332756.db2.gz JNBFQELQKKPCJZ-UTLUCORTSA-N -1 0 307.310 -0.206 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001604248546 1018332859 /nfs/dbraw/zinc/33/28/59/1018332859.db2.gz DYTNQIWUFZCIJI-XHNCKOQMSA-N -1 0 321.399 -0.708 20 0 DBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](OC)C(=O)[O-])c1 ZINC001604249306 1018333666 /nfs/dbraw/zinc/33/36/66/1018333666.db2.gz XSYSAERZWZPXKO-SNVBAGLBSA-N -1 0 316.335 -0.059 20 0 DBADRM CC(F)(F)Cn1nnnc1N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001604251952 1018334171 /nfs/dbraw/zinc/33/41/71/1018334171.db2.gz FHOSIPRCBPXDFO-QMMMGPOBSA-N -1 0 305.285 -0.010 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1 ZINC001604249590 1018334185 /nfs/dbraw/zinc/33/41/85/1018334185.db2.gz NJZXLSMJBFQPDT-ZETCQYMHSA-N -1 0 316.339 -0.738 20 0 DBADRM COC(=O)C(C)(C)CCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001604253749 1018334218 /nfs/dbraw/zinc/33/42/18/1018334218.db2.gz QDXHCYCLJMRKBC-SECBINFHSA-N -1 0 307.368 -0.241 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001604250258 1018334244 /nfs/dbraw/zinc/33/42/44/1018334244.db2.gz VYHCXQNBHLFKPR-MRVPVSSYSA-N -1 0 320.309 -0.542 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@](C)(OC)C(=O)[O-])C1 ZINC001604249970 1018334920 /nfs/dbraw/zinc/33/49/20/1018334920.db2.gz VPZJUCQTBOJYDB-JOYOIKCWSA-N -1 0 322.383 -0.736 20 0 DBADRM CNS(=O)(=O)N1CCN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1 ZINC001604249879 1018335010 /nfs/dbraw/zinc/33/50/10/1018335010.db2.gz SZEZBAFMICELLJ-LBPRGKRZSA-N -1 0 319.383 -0.904 20 0 DBADRM C[C@@H](NC(=O)C1=COCCO1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604265011 1018336073 /nfs/dbraw/zinc/33/60/73/1018336073.db2.gz SBJWFYMYKFXXEN-DTWKUNHWSA-N -1 0 322.321 -0.210 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC001604262613 1018336493 /nfs/dbraw/zinc/33/64/93/1018336493.db2.gz GWMGJVJLPQNHHF-HTQZYQBOSA-N -1 0 302.327 -0.330 20 0 DBADRM COC(=O)[C@H](CNC(=O)c1cn(CC(=O)[O-])nn1)CC1CC1 ZINC001604267697 1018336511 /nfs/dbraw/zinc/33/65/11/1018336511.db2.gz MTDVTIOQVVBWHK-VIFPVBQESA-N -1 0 310.310 -0.318 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)c1ccn(C)n1 ZINC001604261216 1018336593 /nfs/dbraw/zinc/33/65/93/1018336593.db2.gz KBILHEQEVGEKLL-NGZCFLSTSA-N -1 0 324.337 -0.702 20 0 DBADRM C[C@H](NC(=O)[C@@H](CO)NC(N)=O)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604264192 1018337166 /nfs/dbraw/zinc/33/71/66/1018337166.db2.gz BDZXZEYZJGEWCM-ZMLRMANQSA-N -1 0 323.349 -0.536 20 0 DBADRM COC(=O)[C@@H](C)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604262374 1018337745 /nfs/dbraw/zinc/33/77/45/1018337745.db2.gz FIVSNUYAKZWNSG-IUCAKERBSA-N -1 0 300.311 -0.765 20 0 DBADRM COC(=O)C1(N(C)CCS(=O)(=O)CC(=O)[O-])CCCC1 ZINC001604275807 1018338816 /nfs/dbraw/zinc/33/88/16/1018338816.db2.gz MCSLGTGDWLPFDD-UHFFFAOYSA-N -1 0 307.368 -0.097 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001604272056 1018338977 /nfs/dbraw/zinc/33/89/77/1018338977.db2.gz ITJGHDZMSLNWQU-UHFFFAOYSA-N -1 0 300.300 -0.614 20 0 DBADRM COC(=O)[C@@]1(CNC(=O)[C@]2(C(=O)[O-])CCCO2)CCOC1 ZINC001604276338 1018339293 /nfs/dbraw/zinc/33/92/93/1018339293.db2.gz ZWKKYUGWTGVBBN-OLZOCXBDSA-N -1 0 301.295 -0.684 20 0 DBADRM COC(=O)[C@]1(N2CCN(C(=O)[C@H](C)C(=O)[O-])CC2)CCOC1 ZINC001604275469 1018340393 /nfs/dbraw/zinc/34/03/93/1018340393.db2.gz BOHPWOCPLQHVOI-HZMBPMFUSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)c1ncn(C)n1 ZINC001604277386 1018340702 /nfs/dbraw/zinc/34/07/02/1018340702.db2.gz MHCGRWWUXBPNPB-MRVPVSSYSA-N -1 0 305.294 -0.448 20 0 DBADRM COC(=O)C1(O)CN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC001604276240 1018340847 /nfs/dbraw/zinc/34/08/47/1018340847.db2.gz WQEKBWWKBPNKLP-UHFFFAOYSA-N -1 0 308.290 -0.186 20 0 DBADRM C[C@H](NC(=O)CN[C@H](C(=O)[O-])c1cccc(O)c1)C(=O)N(C)C ZINC001604272965 1018341180 /nfs/dbraw/zinc/34/11/80/1018341180.db2.gz JKWDBBSFWNNSKS-ZANVPECISA-N -1 0 323.349 -0.300 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2cc(C(=O)[O-])nn2C)C1 ZINC001604279513 1018342389 /nfs/dbraw/zinc/34/23/89/1018342389.db2.gz CZJXDUDHAUZGRZ-SFYZADRCSA-N -1 0 311.294 -0.886 20 0 DBADRM COC(=O)C1CC2(C1)C[C@@H](NC(=O)COCC(=O)[O-])CCO2 ZINC001604289992 1018342617 /nfs/dbraw/zinc/34/26/17/1018342617.db2.gz LDDLXTAOWCPOHH-XIRUVYRFSA-N -1 0 315.322 -0.295 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)C(=O)NC1CC1)C[C@@H]2C(=O)[O-] ZINC001604280244 1018343239 /nfs/dbraw/zinc/34/32/39/1018343239.db2.gz MIGIOFDPKOQSMY-IXZKOCCXSA-N -1 0 324.333 -0.623 20 0 DBADRM COC(=O)CC1CC(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC001604299296 1018345319 /nfs/dbraw/zinc/34/53/19/1018345319.db2.gz REKXSHVANURWOF-UDNWOFFPSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C1(C(=O)N(C)C)CC1 ZINC001604303613 1018346653 /nfs/dbraw/zinc/34/66/53/1018346653.db2.gz TVDBMRRRKLDGKM-UHFFFAOYSA-N -1 0 300.311 -0.669 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)Cn1ncc2cccnc21 ZINC001604305597 1018348127 /nfs/dbraw/zinc/34/81/27/1018348127.db2.gz CKVPYTAZIXNYOL-UHFFFAOYSA-N -1 0 320.305 -0.092 20 0 DBADRM C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001604312391 1018348142 /nfs/dbraw/zinc/34/81/42/1018348142.db2.gz AHHHQLNLNFUMJU-RBDZCENOSA-N -1 0 312.347 -0.039 20 0 DBADRM C[C@](NC(=O)c1ccnc2c(C(N)=O)cnn21)(C(=O)[O-])C1CC1 ZINC001604313587 1018348876 /nfs/dbraw/zinc/34/88/76/1018348876.db2.gz NWQLCRAWTXOLLE-CQSZACIVSA-N -1 0 317.305 -0.189 20 0 DBADRM C[C@@H](NC(=O)c1ccn(C)n1)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604312442 1018349115 /nfs/dbraw/zinc/34/91/15/1018349115.db2.gz BJALFCAKRPDLGM-RKDXNWHRSA-N -1 0 318.337 -0.051 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc(C(=O)OC)cn1 ZINC001604306936 1018349559 /nfs/dbraw/zinc/34/95/59/1018349559.db2.gz WOHAYWCRPLOBAV-UHFFFAOYSA-N -1 0 324.289 -0.042 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H](C(=O)OC)C1 ZINC001604306401 1018349716 /nfs/dbraw/zinc/34/97/16/1018349716.db2.gz OFWJAAFLHFVXKZ-DTORHVGOSA-N -1 0 301.295 -0.338 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc2nncn2c1 ZINC001604306399 1018349851 /nfs/dbraw/zinc/34/98/51/1018349851.db2.gz OBFZWOPEIVGXCZ-UHFFFAOYSA-N -1 0 306.278 -0.181 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)C(=O)OC ZINC001604318086 1018351023 /nfs/dbraw/zinc/35/10/23/1018351023.db2.gz OFBVVQJLMZPHDG-ZCFIWIBFSA-N -1 0 313.266 -0.668 20 0 DBADRM COC(=O)CC[C@@H]1CC[C@H](C(=O)N[C@]2(C(=O)[O-])CCOC2)O1 ZINC001604318024 1018351806 /nfs/dbraw/zinc/35/18/06/1018351806.db2.gz LVIDSYNCAVJNSQ-IMSIIYSGSA-N -1 0 315.322 -0.153 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC001604321965 1018351888 /nfs/dbraw/zinc/35/18/88/1018351888.db2.gz HQGJNIYWSHIKSP-ZETCQYMHSA-N -1 0 313.314 -0.436 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1c(C)nn(C)c1OC)C(=O)[O-] ZINC001604320501 1018353316 /nfs/dbraw/zinc/35/33/16/1018353316.db2.gz FSWBUCKAGKYIQQ-QMMMGPOBSA-N -1 0 313.310 -0.127 20 0 DBADRM CCN1CCN(Cn2cccc(-c3nnn[n-]3)c2=O)CC1=O ZINC001604344981 1018354725 /nfs/dbraw/zinc/35/47/25/1018354725.db2.gz DSMVPPNEAOITSX-UHFFFAOYSA-N -1 0 303.326 -0.850 20 0 DBADRM C[C@H](NCC(=O)N1CCNC(=O)C1)c1ncc(C(=O)[O-])s1 ZINC001604330656 1018354884 /nfs/dbraw/zinc/35/48/84/1018354884.db2.gz VAHQNLWFTFNEMC-ZETCQYMHSA-N -1 0 312.351 -0.550 20 0 DBADRM C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ncnn1C ZINC001604350310 1018355778 /nfs/dbraw/zinc/35/57/78/1018355778.db2.gz FGDCEHDHXRCYPE-QMMMGPOBSA-N -1 0 317.371 -0.493 20 0 DBADRM C[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@@H]1CN(C)CCO1 ZINC001604354074 1018357835 /nfs/dbraw/zinc/35/78/35/1018357835.db2.gz KRURTEXIONNWFX-APPZFPTMSA-N -1 0 318.355 -0.895 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1nnnn1C ZINC001604355125 1018357884 /nfs/dbraw/zinc/35/78/84/1018357884.db2.gz CFKHYEFHQKDNMN-ZETCQYMHSA-N -1 0 311.323 -0.052 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001604358209 1018360615 /nfs/dbraw/zinc/36/06/15/1018360615.db2.gz LKQRKYHZFXWHFG-XVKPBYJWSA-N -1 0 316.335 -0.428 20 0 DBADRM COC(=O)c1cc(C2CN(C(=O)c3cc(C(=O)[O-])n[nH]3)C2)[nH]n1 ZINC001604371117 1018362608 /nfs/dbraw/zinc/36/26/08/1018362608.db2.gz CMOLBXMPTAXXFE-UHFFFAOYSA-N -1 0 319.277 -0.143 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001604378118 1018364644 /nfs/dbraw/zinc/36/46/44/1018364644.db2.gz JWNYPLARXNGMTD-LDYMZIIASA-N -1 0 300.355 -0.121 20 0 DBADRM CCOC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604376008 1018366366 /nfs/dbraw/zinc/36/63/66/1018366366.db2.gz LJEKPIKLNPMXFD-UHFFFAOYSA-N -1 0 301.284 -0.699 20 0 DBADRM C[C@@H](O)CN(CC(F)F)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001604386219 1018367751 /nfs/dbraw/zinc/36/77/51/1018367751.db2.gz DXPCLINGWZNFIH-RKDXNWHRSA-N -1 0 322.308 -0.216 20 0 DBADRM C[C@H](O)[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCO1 ZINC001604380291 1018368701 /nfs/dbraw/zinc/36/87/01/1018368701.db2.gz KUPWJEYLSWYMTI-XVKPBYJWSA-N -1 0 304.324 -0.517 20 0 DBADRM C[C@@H](O)CN(C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)C1CC1 ZINC001604386862 1018368872 /nfs/dbraw/zinc/36/88/72/1018368872.db2.gz OBLJDFMSEZAFLC-BYYOYISRSA-N -1 0 310.350 -0.272 20 0 DBADRM C[C@H](OC(=O)[C@H](C)OC[C@@H]1CCCO1)C(=O)NCC(=O)[O-] ZINC001604393651 1018370566 /nfs/dbraw/zinc/37/05/66/1018370566.db2.gz SETKGZWOWJGPMP-GUBZILKMSA-N -1 0 303.311 -0.297 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)[C@@H](C)C1 ZINC001604387748 1018370621 /nfs/dbraw/zinc/37/06/21/1018370621.db2.gz VRKYKBRDNDVNRX-QCNOEVLYSA-N -1 0 300.355 -0.468 20 0 DBADRM COC(=O)c1ccc2c(n1)CN(C(=O)COCC(=O)[O-])CC2 ZINC001604400157 1018371815 /nfs/dbraw/zinc/37/18/15/1018371815.db2.gz QSUCRXCRDRUGLO-UHFFFAOYSA-N -1 0 308.290 -0.146 20 0 DBADRM CCO[C@@H](C)c1noc(Cn2cncc(-c3nnn[n-]3)c2=O)n1 ZINC001604401732 1018371985 /nfs/dbraw/zinc/37/19/85/1018371985.db2.gz YSWAVUHBFXIWRC-ZETCQYMHSA-N -1 0 318.297 -0.048 20 0 DBADRM COC(=O)c1sc(C)cc1NC(=O)C(=O)NCC(=O)[O-] ZINC001604410328 1018373274 /nfs/dbraw/zinc/37/32/74/1018373274.db2.gz LZKZZIXSNNZLSC-UHFFFAOYSA-N -1 0 300.292 -0.018 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1ncccc1S(C)(=O)=O ZINC001604435051 1018379789 /nfs/dbraw/zinc/37/97/89/1018379789.db2.gz PRVXNSAQERLWSN-SECBINFHSA-N -1 0 302.308 -0.799 20 0 DBADRM C[C@H](OC(=O)c1ccc(-n2cncn2)nc1)C(=O)NCC(=O)[O-] ZINC001604408393 1018376026 /nfs/dbraw/zinc/37/60/26/1018376026.db2.gz CXBFWLIFNCQPTI-QMMMGPOBSA-N -1 0 319.277 -0.592 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](C2N=NC(=S)N2C)C1 ZINC001604423335 1018377166 /nfs/dbraw/zinc/37/71/66/1018377166.db2.gz YTUHOVMTIPJAEM-JGVFFNPUSA-N -1 0 314.367 -0.091 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@@H](O)COc1cccc(F)c1 ZINC001604422993 1018377689 /nfs/dbraw/zinc/37/76/89/1018377689.db2.gz BULQVBLFFSAFMJ-KOLCDFICSA-N -1 0 301.270 -0.219 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC001604422247 1018378103 /nfs/dbraw/zinc/37/81/03/1018378103.db2.gz QSRNTUJRNHEEOW-GFCCVEGCSA-N -1 0 322.317 -0.224 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N1CCOCC1 ZINC001604435657 1018379657 /nfs/dbraw/zinc/37/96/57/1018379657.db2.gz XWQAXKIXEJVARO-QWRGUYRKSA-N -1 0 316.354 -0.524 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC001604432110 1018379809 /nfs/dbraw/zinc/37/98/09/1018379809.db2.gz LSUQUWOLLMNZHG-CYBMUJFWSA-N -1 0 324.333 -0.131 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@@H](O)COc1ccc(F)cc1 ZINC001604424079 1018379825 /nfs/dbraw/zinc/37/98/25/1018379825.db2.gz LOONBFLYJGDVSJ-KOLCDFICSA-N -1 0 301.270 -0.219 20 0 DBADRM CCOC[C@H]1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001604425516 1018380178 /nfs/dbraw/zinc/38/01/78/1018380178.db2.gz FVLSDMYOYRPUAL-VIFPVBQESA-N -1 0 306.330 -0.657 20 0 DBADRM CCOCCN(C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001604429402 1018381750 /nfs/dbraw/zinc/38/17/50/1018381750.db2.gz PUHPJYZUBUITFQ-UHFFFAOYSA-N -1 0 309.334 -0.864 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1cccc(N2C(=O)CNC2=O)c1 ZINC001604441879 1018383095 /nfs/dbraw/zinc/38/30/95/1018383095.db2.gz RFXJSVMEFKNIGM-JTQLQIEISA-N -1 0 307.262 -0.219 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 ZINC001604442510 1018384640 /nfs/dbraw/zinc/38/46/40/1018384640.db2.gz VSPKFMPPRBTYMY-SECBINFHSA-N -1 0 317.323 -0.630 20 0 DBADRM CCO[C@@]1(C)C[C@H]1Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001604441108 1018384851 /nfs/dbraw/zinc/38/48/51/1018384851.db2.gz SRVODXGJYHGLJK-UHLUBPPHSA-N -1 0 321.341 -0.757 20 0 DBADRM COC(OC)[C@H](C)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604480892 1018385837 /nfs/dbraw/zinc/38/58/37/1018385837.db2.gz OOQJHVKURKCQJT-IUCAKERBSA-N -1 0 302.327 -0.567 20 0 DBADRM COC(OC)[C@H](C)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604480891 1018386670 /nfs/dbraw/zinc/38/66/70/1018386670.db2.gz OOQJHVKURKCQJT-DTWKUNHWSA-N -1 0 302.327 -0.567 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001604471551 1018387100 /nfs/dbraw/zinc/38/71/00/1018387100.db2.gz ACYPCGMAXDZYLS-UWVGGRQHSA-N -1 0 322.383 -0.594 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC001604471287 1018387980 /nfs/dbraw/zinc/38/79/80/1018387980.db2.gz QCBJBUYIAMIFAZ-OUAUKWLOSA-N -1 0 316.354 -0.667 20 0 DBADRM C[C@@H](c1nnnn1C)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001604480662 1018388002 /nfs/dbraw/zinc/38/80/02/1018388002.db2.gz LLLNHQRKGVXCIP-DTWKUNHWSA-N -1 0 306.330 -0.102 20 0 DBADRM CO[C@H](C)c1noc(CN(C)[C@@H]2CCN(CC(=O)[O-])C2=O)n1 ZINC001604471705 1018388237 /nfs/dbraw/zinc/38/82/37/1018388237.db2.gz XJNUWRKUTWURMM-RKDXNWHRSA-N -1 0 312.326 -0.106 20 0 DBADRM C[C@]1(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CCOC1 ZINC001604486146 1018389531 /nfs/dbraw/zinc/38/95/31/1018389531.db2.gz SSCNOUHZKSGNPA-LSDHHAIUSA-N -1 0 312.366 -0.199 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCSC1 ZINC001604487595 1018389956 /nfs/dbraw/zinc/38/99/56/1018389956.db2.gz PTIRWDAKDXQDJL-VYUIOLGVSA-N -1 0 316.379 -0.396 20 0 DBADRM CO[C@@H](CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC001604482239 1018390216 /nfs/dbraw/zinc/39/02/16/1018390216.db2.gz URCUHIAKRIQCFP-VWYCJHECSA-N -1 0 322.383 -0.579 20 0 DBADRM C[C@]1(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CCC(=O)NC1 ZINC001604485483 1018390501 /nfs/dbraw/zinc/39/05/01/1018390501.db2.gz AQZZVNKGEWOZQM-SDBXPKJASA-N -1 0 300.311 -0.765 20 0 DBADRM CC1(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CCOCC1 ZINC001604486144 1018390577 /nfs/dbraw/zinc/39/05/77/1018390577.db2.gz DAJPGEYIZJUWFN-MNOVXSKESA-N -1 0 310.350 -0.149 20 0 DBADRM COC1(c2cnnn2C)CN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001604491863 1018391609 /nfs/dbraw/zinc/39/16/09/1018391609.db2.gz SDJUKPATGXDBBX-CYBMUJFWSA-N -1 0 310.310 -0.867 20 0 DBADRM CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001604500946 1018391863 /nfs/dbraw/zinc/39/18/63/1018391863.db2.gz LEAKXVYSGILVOP-VHSXEESVSA-N -1 0 324.337 -0.163 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@]23CCOC3=O)C1 ZINC001604497523 1018391934 /nfs/dbraw/zinc/39/19/34/1018391934.db2.gz IWBAMZHWVKOKDL-CABCVRRESA-N -1 0 324.333 -0.382 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(c2nnnn2CCN2CCOCC2)C1 ZINC001604497583 1018392712 /nfs/dbraw/zinc/39/27/12/1018392712.db2.gz LFXYAGPHDWMYJQ-CQSZACIVSA-N -1 0 324.385 -0.304 20 0 DBADRM CO[C@@]1(Cn2nnnc2N2CCC[C@@H](C(=O)[O-])C2)CCOC1 ZINC001604491667 1018392780 /nfs/dbraw/zinc/39/27/80/1018392780.db2.gz IKURJAQXMZOLNF-ZWNOBZJWSA-N -1 0 311.342 -0.220 20 0 DBADRM CC1(C)CC(=O)NCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001604512334 1018394284 /nfs/dbraw/zinc/39/42/84/1018394284.db2.gz IOLZANAUEVNEKL-UHFFFAOYSA-N -1 0 321.333 -0.326 20 0 DBADRM COCC(=O)N(C)CC(=O)OCC1(C(=O)[O-])CCOCC1 ZINC001604505011 1018394419 /nfs/dbraw/zinc/39/44/19/1018394419.db2.gz MPKDRICEFQBPHG-UHFFFAOYSA-N -1 0 303.311 -0.484 20 0 DBADRM CO[C@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)[C@](C)(CO)C1 ZINC001604504560 1018394770 /nfs/dbraw/zinc/39/47/70/1018394770.db2.gz CLIRRVQDNGHKQN-BMIGLBTASA-N -1 0 324.333 -0.455 20 0 DBADRM COCC(=O)NC1CCN(C(=O)N[C@@H](C)CC(=O)[O-])CC1 ZINC001604505455 1018394865 /nfs/dbraw/zinc/39/48/65/1018394865.db2.gz WZADYPGITYCCBH-VIFPVBQESA-N -1 0 301.343 -0.214 20 0 DBADRM CC1(C)C(=O)NCCN1C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001604506926 1018394970 /nfs/dbraw/zinc/39/49/70/1018394970.db2.gz GCMGTEDFOHITFF-SECBINFHSA-N -1 0 311.338 -0.953 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)OC ZINC001604515516 1018395057 /nfs/dbraw/zinc/39/50/57/1018395057.db2.gz XOPCYCFQMCGYOB-ZJUUUORDSA-N -1 0 302.327 -0.913 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C1 ZINC001604502420 1018395366 /nfs/dbraw/zinc/39/53/66/1018395366.db2.gz DOEWOXIBSHWTMQ-UHFFFAOYSA-N -1 0 316.335 -0.125 20 0 DBADRM COC[C@](C)(O)CCNC(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001604507634 1018395571 /nfs/dbraw/zinc/39/55/71/1018395571.db2.gz KLEHNUAGWIKZHP-KGLIPLIRSA-N -1 0 318.370 -0.093 20 0 DBADRM CC1(C)C[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CCO1 ZINC001604513698 1018395645 /nfs/dbraw/zinc/39/56/45/1018395645.db2.gz VJDIFTVVDZYCBR-UWVGGRQHSA-N -1 0 319.379 -0.098 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CC23CCC3)C1 ZINC001604523006 1018396185 /nfs/dbraw/zinc/39/61/85/1018396185.db2.gz JSTLKUDBPFXRJR-MEBBXXQBSA-N -1 0 310.350 -0.005 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2COCC[C@H]2OC)C1 ZINC001604533935 1018397581 /nfs/dbraw/zinc/39/75/81/1018397581.db2.gz QRCGLGHENZHTBD-JTNHKYCSSA-N -1 0 316.354 -0.077 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001604535993 1018397868 /nfs/dbraw/zinc/39/78/68/1018397868.db2.gz SSZZWWCUEQPGBU-ZDUSSCGKSA-N -1 0 308.294 -0.861 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CC23CCC3)C1 ZINC001604523003 1018397883 /nfs/dbraw/zinc/39/78/83/1018397883.db2.gz JSTLKUDBPFXRJR-BMIGLBTASA-N -1 0 310.350 -0.005 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2nc3ncccn3n2)C1 ZINC001604535696 1018397953 /nfs/dbraw/zinc/39/79/53/1018397953.db2.gz JMMNLDHGCXHLKP-CYBMUJFWSA-N -1 0 305.294 -0.312 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@H]2CCn3ccnc32)CCO1 ZINC001604549093 1018399065 /nfs/dbraw/zinc/39/90/65/1018399065.db2.gz CZSXWXIQXGDXNU-HZMBPMFUSA-N -1 0 324.337 -0.161 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N[C@]2(CC(=O)[O-])CCOC2)C1=O ZINC001604554598 1018399657 /nfs/dbraw/zinc/39/96/57/1018399657.db2.gz MILJGEXGUKDROI-ZDUSSCGKSA-N -1 0 313.310 -0.933 20 0 DBADRM CC1(C)NC(=O)N(CCCC(=O)N[C@@H](CF)C(=O)[O-])C1=O ZINC001604554869 1018400077 /nfs/dbraw/zinc/40/00/77/1018400077.db2.gz SXEUPXAAYBBMII-ZETCQYMHSA-N -1 0 303.290 -0.364 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2ncc(OC)cn2)CCO1 ZINC001604559377 1018401347 /nfs/dbraw/zinc/40/13/47/1018401347.db2.gz XQIODBFPNDSHJR-ZDUSSCGKSA-N -1 0 311.294 -0.573 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)CCO1 ZINC001604557538 1018401702 /nfs/dbraw/zinc/40/17/02/1018401702.db2.gz HMWDGXZEHDBFNR-UHXUPSOCSA-N -1 0 301.339 -0.408 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2csc(CO)n2)CCO1 ZINC001604557329 1018401890 /nfs/dbraw/zinc/40/18/90/1018401890.db2.gz GDJYTYJNMLVSTB-LBPRGKRZSA-N -1 0 316.335 -0.422 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)O1 ZINC001604558925 1018402148 /nfs/dbraw/zinc/40/21/48/1018402148.db2.gz BLYLZFGCPFOTST-HRDYMLBCSA-N -1 0 300.311 -0.767 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cn3cccnc3n2)CCO1 ZINC001604557135 1018402853 /nfs/dbraw/zinc/40/28/53/1018402853.db2.gz DWMRAVJHGZWCSG-CQSZACIVSA-N -1 0 320.305 -0.329 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2ccccn2)CCO1 ZINC001604564725 1018403084 /nfs/dbraw/zinc/40/30/84/1018403084.db2.gz OAAKVMOVXNHYHC-GFCCVEGCSA-N -1 0 316.335 -0.428 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(Cc2nnn(C(C)(C)C)n2)CCO1 ZINC001604565336 1018404011 /nfs/dbraw/zinc/40/40/11/1018404011.db2.gz SZZYIPNCVHDLKA-ZDUSSCGKSA-N -1 0 313.358 -0.270 20 0 DBADRM COC[C@H]1CN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCO1 ZINC001604567204 1018404227 /nfs/dbraw/zinc/40/42/27/1018404227.db2.gz KJMUTLACEBCXGX-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)COCC(=O)[O-])O1 ZINC001604567070 1018404518 /nfs/dbraw/zinc/40/45/18/1018404518.db2.gz GDNVYJXWVQZQFC-TUAOUCFPSA-N -1 0 317.338 -0.491 20 0 DBADRM COC[C@H]1CCCN(C(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC001604567102 1018405409 /nfs/dbraw/zinc/40/54/09/1018405409.db2.gz GTUPKRRBCHDSEV-JTQLQIEISA-N -1 0 302.327 -0.911 20 0 DBADRM CC1(CC(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])COC1 ZINC001604568351 1018405484 /nfs/dbraw/zinc/40/54/84/1018405484.db2.gz BVRMVNQMYUJUEZ-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001604580760 1018407252 /nfs/dbraw/zinc/40/72/52/1018407252.db2.gz NMABFQFVIYORPA-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM COC[C@@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)CCO1 ZINC001604573830 1018407131 /nfs/dbraw/zinc/40/71/31/1018407131.db2.gz LYPRAEZWLPTYSW-JTQLQIEISA-N -1 0 310.306 -0.580 20 0 DBADRM COC[C@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)CCO1 ZINC001604573838 1018407705 /nfs/dbraw/zinc/40/77/05/1018407705.db2.gz LYPRAEZWLPTYSW-SNVBAGLBSA-N -1 0 310.306 -0.580 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC001604583913 1018407959 /nfs/dbraw/zinc/40/79/59/1018407959.db2.gz IVUAYGMOFPHDLH-SNVBAGLBSA-N -1 0 324.337 -0.667 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC001604596362 1018409042 /nfs/dbraw/zinc/40/90/42/1018409042.db2.gz KPSCIRVJQDLQLR-NEPJUHHUSA-N -1 0 317.386 -0.162 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)OC)O1 ZINC001604591801 1018409712 /nfs/dbraw/zinc/40/97/12/1018409712.db2.gz BDKMTHSOBJYGBC-QXEWZRGKSA-N -1 0 303.311 -0.487 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCCOC[C@@H]1C ZINC001604597359 1018409771 /nfs/dbraw/zinc/40/97/71/1018409771.db2.gz FRROUQPUBDIJML-NSHDSACASA-N -1 0 316.354 -0.427 20 0 DBADRM CC1(Cn2cc(C(=O)N3CCOC[C@H]3CC(=O)[O-])nn2)COC1 ZINC001604587087 1018409963 /nfs/dbraw/zinc/40/99/63/1018409963.db2.gz HIBCIYKYZBCCHE-SNVBAGLBSA-N -1 0 324.337 -0.370 20 0 DBADRM C[C@@]1(NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CCOC1=O ZINC001604589885 1018410078 /nfs/dbraw/zinc/41/00/78/1018410078.db2.gz FSEOXEHTRHFSCD-NOZJJQNGSA-N -1 0 300.311 -0.441 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)oc1C ZINC001604591921 1018410388 /nfs/dbraw/zinc/41/03/88/1018410388.db2.gz PNAUXJAHMQVSCL-UHFFFAOYSA-N -1 0 320.323 -0.591 20 0 DBADRM CC1(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCN(C(=O)CC(N)=O)CC1 ZINC001604589421 1018410528 /nfs/dbraw/zinc/41/05/28/1018410528.db2.gz OOZYERIYSLUHRV-RKDXNWHRSA-N -1 0 311.338 -0.920 20 0 DBADRM CC1=C(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)S(=O)(=O)CCO1 ZINC001604608138 1018411683 /nfs/dbraw/zinc/41/16/83/1018411683.db2.gz XRLYHYIBLYBBJB-APPZFPTMSA-N -1 0 303.336 -0.016 20 0 DBADRM CC1=C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(=O)OC1(C)C ZINC001604607515 1018412622 /nfs/dbraw/zinc/41/26/22/1018412622.db2.gz PSUSFYQIJODCHN-YUMQZZPRSA-N -1 0 312.322 -0.268 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2n[nH]cc2C)c1=O ZINC001604600786 1018412856 /nfs/dbraw/zinc/41/28/56/1018412856.db2.gz FZAYMRKUCYPZQE-UHFFFAOYSA-N -1 0 302.298 -0.710 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)COCc1ocnc1C(=O)[O-] ZINC001604616576 1018414086 /nfs/dbraw/zinc/41/40/86/1018414086.db2.gz YIQGASYFVKIZHN-QMMMGPOBSA-N -1 0 324.293 -0.482 20 0 DBADRM COCCO[C@@H]1CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001604611688 1018414933 /nfs/dbraw/zinc/41/49/33/1018414933.db2.gz JGERUVJFGNXPOP-LLVKDONJSA-N -1 0 309.384 -0.387 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)Nc1c(C(=O)[O-])cnn1C ZINC001604616301 1018415299 /nfs/dbraw/zinc/41/52/99/1018415299.db2.gz PCEGCAXWHONPLU-ZETCQYMHSA-N -1 0 308.298 -0.248 20 0 DBADRM CC1=NO[C@@H](CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001604617296 1018415598 /nfs/dbraw/zinc/41/55/98/1018415598.db2.gz CWHSTWIHONVJIT-SNVBAGLBSA-N -1 0 305.356 -0.218 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC001604624081 1018417125 /nfs/dbraw/zinc/41/71/25/1018417125.db2.gz PXDXJHHBVVCPKI-HJQYOEGKSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCCc1cnn(C)c1 ZINC001604627078 1018417487 /nfs/dbraw/zinc/41/74/87/1018417487.db2.gz OCULXLINPZTUDY-JQWIXIFHSA-N -1 0 322.365 -0.210 20 0 DBADRM COCCn1cc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)cn1 ZINC001604629637 1018417936 /nfs/dbraw/zinc/41/79/36/1018417936.db2.gz AHWRAVURSGETJB-NSHDSACASA-N -1 0 307.310 -0.181 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCC[C@@](C)(CO)C1 ZINC001604621740 1018418162 /nfs/dbraw/zinc/41/81/62/1018418162.db2.gz BAHKZNGKFNGUND-UEKVPHQBSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCc1ccnn1C ZINC001604625712 1018418198 /nfs/dbraw/zinc/41/81/98/1018418198.db2.gz IVTDLAKILKYXRN-ONGXEEELSA-N -1 0 308.338 -0.600 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NC[C@H]1COC(C)(C)O1 ZINC001604625369 1018418290 /nfs/dbraw/zinc/41/82/90/1018418290.db2.gz GDPCCDNWYXDPFM-KXUCPTDWSA-N -1 0 314.338 -0.424 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCc1ccnn1C ZINC001604625711 1018418606 /nfs/dbraw/zinc/41/86/06/1018418606.db2.gz IVTDLAKILKYXRN-MWLCHTKSSA-N -1 0 308.338 -0.600 20 0 DBADRM C[C@H]1[C@H](CO)CCCN1C(=O)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001604642695 1018419386 /nfs/dbraw/zinc/41/93/86/1018419386.db2.gz BRHFPRUQBBDIMQ-VOBJUBJWSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001604631743 1018419634 /nfs/dbraw/zinc/41/96/34/1018419634.db2.gz AUFCWLLPNVYJRU-APPZFPTMSA-N -1 0 310.310 -0.510 20 0 DBADRM COCCn1nc(C(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])ccc1=O ZINC001604638861 1018420506 /nfs/dbraw/zinc/42/05/06/1018420506.db2.gz DHXKLDSGUOBGJX-ONGXEEELSA-N -1 0 309.322 -0.033 20 0 DBADRM CON(C(=O)c1ccc2c(c1)NC(=O)CNC2=O)[C@H](C)C(=O)[O-] ZINC001604661003 1018422071 /nfs/dbraw/zinc/42/20/71/1018422071.db2.gz LUJRMQCJCNNGSK-SSDOTTSWSA-N -1 0 321.289 -0.155 20 0 DBADRM CON1CCC(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC001604661235 1018422135 /nfs/dbraw/zinc/42/21/35/1018422135.db2.gz FUALYRYSICRIPV-UHFFFAOYSA-N -1 0 315.370 -0.255 20 0 DBADRM COCc1cnc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])s1 ZINC001604648883 1018422243 /nfs/dbraw/zinc/42/22/43/1018422243.db2.gz YPQYWTIQLMZKLX-LLVKDONJSA-N -1 0 317.323 -0.820 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)NCCNc2ccnc(C(=O)[O-])n2)CCO1 ZINC001604647916 1018422361 /nfs/dbraw/zinc/42/23/61/1018422361.db2.gz APMCOXPDZGXZFZ-ZJUUUORDSA-N -1 0 308.338 -0.060 20 0 DBADRM COCc1nocc1C(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001604651339 1018422865 /nfs/dbraw/zinc/42/28/65/1018422865.db2.gz NZDYDYMWQPQKPB-CYBMUJFWSA-N -1 0 314.294 -0.237 20 0 DBADRM CON(C(=O)CCCN1C(=O)NC(C)(C)C1=O)[C@H](C)C(=O)[O-] ZINC001604655649 1018423642 /nfs/dbraw/zinc/42/36/42/1018423642.db2.gz KVBORZYWGVZWIY-MRVPVSSYSA-N -1 0 315.326 -0.040 20 0 DBADRM COc1c(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cnn1C ZINC001604669702 1018425107 /nfs/dbraw/zinc/42/51/07/1018425107.db2.gz ZAUJIGIPLXEVTK-JTQLQIEISA-N -1 0 324.337 -0.376 20 0 DBADRM C[C@H]1C[C@H](NC(=O)Cn2cc(C(=O)[O-])cn2)CCS1(=O)=O ZINC001604672018 1018425405 /nfs/dbraw/zinc/42/54/05/1018425405.db2.gz GIMYSPCYJYHLKJ-WCBMZHEXSA-N -1 0 315.351 -0.337 20 0 DBADRM CON(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001604663582 1018425940 /nfs/dbraw/zinc/42/59/40/1018425940.db2.gz YPRQMBNEVPMSTD-ZJUUUORDSA-N -1 0 324.337 -0.543 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(N)=O)CCN1c1ncc(C(=O)[O-])cn1 ZINC001604671761 1018426094 /nfs/dbraw/zinc/42/60/94/1018426094.db2.gz DGIYMLFGDBZESW-VXNVDRBHSA-N -1 0 307.310 -0.866 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@H]2CCS(=O)(=O)[C@@H](C)C2)O[C@H]1C(=O)[O-] ZINC001604674632 1018427408 /nfs/dbraw/zinc/42/74/08/1018427408.db2.gz YXFAQXHLQWAEBW-ZKKRXERASA-N -1 0 319.379 -0.054 20 0 DBADRM C[C@@H]1C[C@H]1CNC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001604688406 1018430411 /nfs/dbraw/zinc/43/04/11/1018430411.db2.gz KCAZRIVFKXJJAU-WOPDTQHZSA-N -1 0 311.382 -0.234 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1=O ZINC001604689101 1018430730 /nfs/dbraw/zinc/43/07/30/1018430730.db2.gz UDZJKKMSHFDEBI-DMMVZYGJSA-N -1 0 307.350 -0.032 20 0 DBADRM COc1cc(C(N)=O)ccc1NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC001604695262 1018433898 /nfs/dbraw/zinc/43/38/98/1018433898.db2.gz GRLBOENIQVDHQL-ZETCQYMHSA-N -1 0 323.305 -0.431 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C[C@H]1CO ZINC001604741023 1018435942 /nfs/dbraw/zinc/43/59/42/1018435942.db2.gz GLXIJKOBVHDCGQ-BDAKNGLRSA-N -1 0 324.337 -0.466 20 0 DBADRM C[C@H]1CCCN(C(=O)COC(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001604736134 1018435954 /nfs/dbraw/zinc/43/59/54/1018435954.db2.gz RIDPAIRYJWIPEL-VIFPVBQESA-N -1 0 310.310 -0.222 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@H](F)C2)C[C@@H](C(=O)[O-])O1 ZINC001604742233 1018436001 /nfs/dbraw/zinc/43/60/01/1018436001.db2.gz SGAOBSZTYOAFJO-ZDCRXTMVSA-N -1 0 316.329 -0.107 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001604739662 1018436171 /nfs/dbraw/zinc/43/61/71/1018436171.db2.gz CZRLTDKDZSVBHD-IUCAKERBSA-N -1 0 308.356 -0.479 20 0 DBADRM C[C@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNc1ccnc(C(=O)[O-])n1 ZINC001604733632 1018436778 /nfs/dbraw/zinc/43/67/78/1018436778.db2.gz DKMJBBNQBFEVPE-DTWKUNHWSA-N -1 0 321.337 -0.879 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001604733705 1018436856 /nfs/dbraw/zinc/43/68/56/1018436856.db2.gz GPELEQCUWLYPMK-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CCN(CC(=O)NCC(=O)N2CCCC2)[C@@H](C(=O)[O-])C1 ZINC001604753330 1018439218 /nfs/dbraw/zinc/43/92/18/1018439218.db2.gz VWMPZCURGOJWSA-VXGBXAGGSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)[C@@H](C(N)=O)C1 ZINC001604758893 1018439248 /nfs/dbraw/zinc/43/92/48/1018439248.db2.gz BXVQZDMQKBHPHM-AXTSPUMRSA-N -1 0 304.368 -0.235 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@H](C(=O)[O-])C1 ZINC001604748596 1018439387 /nfs/dbraw/zinc/43/93/87/1018439387.db2.gz DVUIULKZZJETHL-KOLCDFICSA-N -1 0 323.353 -0.308 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])C1 ZINC001604757390 1018439487 /nfs/dbraw/zinc/43/94/87/1018439487.db2.gz OWMOIYQFDXROMG-NXEZZACHSA-N -1 0 319.383 -0.762 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])C[C@@H]1O ZINC001604746498 1018439547 /nfs/dbraw/zinc/43/95/47/1018439547.db2.gz ZJJWKOHUJVAMIG-ZJUUUORDSA-N -1 0 301.343 -0.620 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)CCN2CCOC2=O)[C@@H](C(=O)[O-])C1 ZINC001604757289 1018439875 /nfs/dbraw/zinc/43/98/75/1018439875.db2.gz MCCHJBJHMRWHIY-VHSXEESVSA-N -1 0 320.367 -0.047 20 0 DBADRM C[C@H]1CN(C(=O)COC(=O)Cn2cc(C(=O)[O-])cn2)CCO1 ZINC001604768249 1018441472 /nfs/dbraw/zinc/44/14/72/1018441472.db2.gz BGOZPSUCTVQANO-VIFPVBQESA-N -1 0 311.294 -0.628 20 0 DBADRM C[C@@H]1CCn2cc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])nc2C1 ZINC001604767280 1018441654 /nfs/dbraw/zinc/44/16/54/1018441654.db2.gz SLVZIHDZVLWAAL-MWLCHTKSSA-N -1 0 320.349 -0.119 20 0 DBADRM C[C@@H]1CCOCCN1C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001604760647 1018442244 /nfs/dbraw/zinc/44/22/44/1018442244.db2.gz QMQJVWRRFALGLB-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])CC(C)(C)O1 ZINC001604768828 1018442801 /nfs/dbraw/zinc/44/28/01/1018442801.db2.gz IRCZCGOPVFMGSJ-NQBHXWOUSA-N -1 0 314.382 -0.078 20 0 DBADRM C[C@H]1CN(C(=O)CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CCO1 ZINC001604770756 1018445359 /nfs/dbraw/zinc/44/53/59/1018445359.db2.gz WDXXQUHEBMJNQP-QWRGUYRKSA-N -1 0 323.353 -0.530 20 0 DBADRM C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001604771805 1018445452 /nfs/dbraw/zinc/44/54/52/1018445452.db2.gz SMOUBDGPRFPBAN-APPZFPTMSA-N -1 0 307.310 -0.691 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001604787253 1018447132 /nfs/dbraw/zinc/44/71/32/1018447132.db2.gz YJUOLYPFEHCTFD-ZHSDAYTOSA-N -1 0 300.355 -0.156 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)CCS(=O)(=O)C1 ZINC001604776264 1018448185 /nfs/dbraw/zinc/44/81/85/1018448185.db2.gz LZNYIWWXMSYZPH-SECBINFHSA-N -1 0 315.351 -0.526 20 0 DBADRM C[C@@H]1CN([C@@H]2CCN(CCC(=O)[O-])C2=O)C[C@@]2(CCOC2)O1 ZINC001604785252 1018448198 /nfs/dbraw/zinc/44/81/98/1018448198.db2.gz FYHIOSNNHAXGBT-LALPHHSUSA-N -1 0 312.366 -0.058 20 0 DBADRM C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1Nc1ccnc(C(=O)[O-])n1 ZINC001604781080 1018448893 /nfs/dbraw/zinc/44/88/93/1018448893.db2.gz UMCWGIMMBDHEGF-CBAPKCEASA-N -1 0 317.309 -0.713 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)[C@H]1CCOC1 ZINC001604793597 1018449764 /nfs/dbraw/zinc/44/97/64/1018449764.db2.gz BJMOWHLSTACHGG-MNOVXSKESA-N -1 0 306.384 -0.414 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)N[C@H]1CC1(C)C ZINC001604789739 1018450171 /nfs/dbraw/zinc/45/01/71/1018450171.db2.gz XXZCEVKOWZXBER-QWRGUYRKSA-N -1 0 311.382 -0.092 20 0 DBADRM COc1ccc(CNC(=O)C(=O)NCCC(=O)[O-])cc1OC ZINC001604790040 1018450428 /nfs/dbraw/zinc/45/04/28/1018450428.db2.gz FGGNVZQUVMKILJ-UHFFFAOYSA-N -1 0 310.306 -0.089 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)Nc1ccnn1C ZINC001604789628 1018452204 /nfs/dbraw/zinc/45/22/04/1018452204.db2.gz WSFQEODZJZSWGQ-JTQLQIEISA-N -1 0 323.353 -0.634 20 0 DBADRM C[C@H]1CN(CCO)CCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001604798367 1018453217 /nfs/dbraw/zinc/45/32/17/1018453217.db2.gz TYTIKFXABWYQNJ-VIFPVBQESA-N -1 0 317.367 -0.600 20 0 DBADRM COc1ccc(F)cc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001604806228 1018453223 /nfs/dbraw/zinc/45/32/23/1018453223.db2.gz KXODWRCZAHEURN-ZDUSSCGKSA-N -1 0 314.269 -0.275 20 0 DBADRM COc1ccc(F)c(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001604806206 1018454266 /nfs/dbraw/zinc/45/42/66/1018454266.db2.gz KOOQWMNWYNNXCS-CYBMUJFWSA-N -1 0 314.269 -0.275 20 0 DBADRM C[C@@H]1CN(CCO)CCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001604796819 1018454336 /nfs/dbraw/zinc/45/43/36/1018454336.db2.gz FFXVQYMVVWVHDN-LLVKDONJSA-N -1 0 320.411 -0.431 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001604816670 1018456095 /nfs/dbraw/zinc/45/60/95/1018456095.db2.gz HOWGVOSHSFCHRD-BDAKNGLRSA-N -1 0 323.305 -0.674 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001604819693 1018456814 /nfs/dbraw/zinc/45/68/14/1018456814.db2.gz HXJMGSLIFJCVNX-SECBINFHSA-N -1 0 311.342 -0.040 20 0 DBADRM CN(c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C(C1CC1)C1CC1 ZINC001604827992 1018458556 /nfs/dbraw/zinc/45/85/56/1018458556.db2.gz HSRMIOREMCESMK-UHFFFAOYSA-N -1 0 317.353 -0.122 20 0 DBADRM C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001604836079 1018458995 /nfs/dbraw/zinc/45/89/95/1018458995.db2.gz VHMRKHNCGPYOGO-ZOWXZIJZSA-N -1 0 312.366 -0.201 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001604833634 1018459100 /nfs/dbraw/zinc/45/91/00/1018459100.db2.gz JQRBQCQJOAFQMI-UFBFGSQYSA-N -1 0 316.335 -0.402 20 0 DBADRM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001604828545 1018459419 /nfs/dbraw/zinc/45/94/19/1018459419.db2.gz WHXKOSAFBSXMSZ-YIZRAAEISA-N -1 0 304.368 -0.222 20 0 DBADRM C[C@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)c1cncnc1 ZINC001604842967 1018460907 /nfs/dbraw/zinc/46/09/07/1018460907.db2.gz WDOKFALSVCZEBI-SCZZXKLOSA-N -1 0 324.362 -0.029 20 0 DBADRM C[C@@H]1SCC[C@@H]1NC(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001604842229 1018462054 /nfs/dbraw/zinc/46/20/54/1018462054.db2.gz PWBNHGQUPQGSLH-QCLAVDOMSA-N -1 0 316.379 -0.398 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001604858523 1018468271 /nfs/dbraw/zinc/46/82/71/1018468271.db2.gz CEXXBPVJJVOZGJ-KCJUWKMLSA-N -1 0 302.327 -0.330 20 0 DBADRM CCC(=O)N[C@@H](CCSC)C(=O)N[C@H](COC)C(=O)[O-] ZINC001604859638 1018469498 /nfs/dbraw/zinc/46/94/98/1018469498.db2.gz KRLMXPNPEXIVFF-DTWKUNHWSA-N -1 0 306.384 -0.150 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604860162 1018469574 /nfs/dbraw/zinc/46/95/74/1018469574.db2.gz SDVLGJBKPZDCOA-RKDXNWHRSA-N -1 0 323.353 -0.572 20 0 DBADRM COC(=O)[C@](C)(O)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001604903836 1018480172 /nfs/dbraw/zinc/48/01/72/1018480172.db2.gz NVGCZWNLEBMRKS-CYBMUJFWSA-N -1 0 321.293 -0.774 20 0 DBADRM CC[C@@](C)(CO)NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001604905295 1018481049 /nfs/dbraw/zinc/48/10/49/1018481049.db2.gz BAVCEKXLTWDVRT-ZDUSSCGKSA-N -1 0 312.326 -0.508 20 0 DBADRM COc1ccnc(C[S@@](=O)CC(=O)NCC(=O)[O-])c1OC ZINC001604898766 1018481516 /nfs/dbraw/zinc/48/15/16/1018481516.db2.gz KATYLGQZLYWCCT-OAQYLSRUSA-N -1 0 316.335 -0.452 20 0 DBADRM CC[C@](C)(NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)OC ZINC001604915029 1018483622 /nfs/dbraw/zinc/48/36/22/1018483622.db2.gz RBDCENCOQJWSOR-JTQLQIEISA-N -1 0 305.312 -0.272 20 0 DBADRM COc1nccc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)n1 ZINC001604906881 1018484044 /nfs/dbraw/zinc/48/40/44/1018484044.db2.gz OIGHEIPNXYXPFX-QMMMGPOBSA-N -1 0 310.310 -0.103 20 0 DBADRM COc1nnc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)s1 ZINC001604911818 1018484163 /nfs/dbraw/zinc/48/41/63/1018484163.db2.gz HDLPNIGYVXUMLO-ZCFIWIBFSA-N -1 0 314.323 -0.192 20 0 DBADRM COc1nccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1F ZINC001604906380 1018485419 /nfs/dbraw/zinc/48/54/19/1018485419.db2.gz GXFQZUGSEIYVTQ-SECBINFHSA-N -1 0 318.326 -0.087 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001604920355 1018487040 /nfs/dbraw/zinc/48/70/40/1018487040.db2.gz SPEPRJJOWHYYSX-QMMMGPOBSA-N -1 0 304.324 -0.843 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(C(=O)NCCCC(=O)[O-])CCO1 ZINC001604919960 1018487183 /nfs/dbraw/zinc/48/71/83/1018487183.db2.gz FHIPMFCTMRFSKD-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)Nc1ccccc1C(=O)[O-] ZINC001604919941 1018487386 /nfs/dbraw/zinc/48/73/86/1018487386.db2.gz DHBGBNZHVBJIAL-MRVPVSSYSA-N -1 0 316.335 -0.088 20 0 DBADRM CS(=O)(=O)CCC(=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001604919951 1018487806 /nfs/dbraw/zinc/48/78/06/1018487806.db2.gz FBTQCKGEVKVUBS-UHFFFAOYSA-N -1 0 317.323 -0.515 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN(C)[C@@]1(CO)CCOC1)C(=O)[O-] ZINC001604928406 1018489656 /nfs/dbraw/zinc/48/96/56/1018489656.db2.gz AWGNYHJCROWXTQ-ZKYQVNSYSA-N -1 0 302.371 -0.315 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001604921714 1018489911 /nfs/dbraw/zinc/48/99/11/1018489911.db2.gz USUGPAAVOGHTMF-ZJUUUORDSA-N -1 0 319.383 -0.570 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN(C)[C@]1(CO)CCOC1)C(=O)[O-] ZINC001604928404 1018490051 /nfs/dbraw/zinc/49/00/51/1018490051.db2.gz AWGNYHJCROWXTQ-SUHUHFCYSA-N -1 0 302.371 -0.315 20 0 DBADRM CS(=O)(=O)Cc1n[nH]c(CNC(=O)C2(C(=O)[O-])CCC2)n1 ZINC001604921855 1018490454 /nfs/dbraw/zinc/49/04/54/1018490454.db2.gz XWPMXUZVGPAACT-UHFFFAOYSA-N -1 0 316.339 -0.780 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001604927338 1018490628 /nfs/dbraw/zinc/49/06/28/1018490628.db2.gz GTVOHESPRGKCNL-SECBINFHSA-N -1 0 320.367 -0.982 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1C[C@@H](OC)[C@@H](OC)C1)C(=O)[O-] ZINC001604931809 1018493163 /nfs/dbraw/zinc/49/31/63/1018493163.db2.gz KWTODGQMEAHJMW-MEWQQHAOSA-N -1 0 302.371 -0.053 20 0 DBADRM CC[C@@H](C)[C@H](OC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001604945847 1018496475 /nfs/dbraw/zinc/49/64/75/1018496475.db2.gz MUFZINJOPMBTRC-KOLCDFICSA-N -1 0 307.368 -0.241 20 0 DBADRM COC(=O)[C@@H](O)CCNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001604957440 1018495804 /nfs/dbraw/zinc/49/58/04/1018495804.db2.gz KDRBZDUCOJDWQP-VIFPVBQESA-N -1 0 321.293 -0.774 20 0 DBADRM CS(=O)(=O)c1nc(C(=O)N2CC(C(=O)[O-])C2)c2ccccn21 ZINC001604942797 1018496514 /nfs/dbraw/zinc/49/65/14/1018496514.db2.gz BOJMMTGOETXBFU-UHFFFAOYSA-N -1 0 323.330 -0.106 20 0 DBADRM CC[C@@H](C)OCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001604966296 1018499014 /nfs/dbraw/zinc/49/90/14/1018499014.db2.gz VHVAKWXZPPSQEV-VDDIYKPWSA-N -1 0 307.368 -0.194 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001604963454 1018499439 /nfs/dbraw/zinc/49/94/39/1018499439.db2.gz ONKPYTGUNISPHK-NTCNTBNZSA-N -1 0 315.417 -0.009 20 0 DBADRM COC(=O)[C@H](C)N(C)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604959819 1018500375 /nfs/dbraw/zinc/50/03/75/1018500375.db2.gz JRVCNDVGVYGLFW-BQBZGAKWSA-N -1 0 308.302 -0.961 20 0 DBADRM COC(C)(C)C(=O)Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C)c1=O ZINC001604995097 1018501223 /nfs/dbraw/zinc/50/12/23/1018501223.db2.gz CFSWNKDAXPUCIJ-UHFFFAOYSA-N -1 0 322.325 -0.970 20 0 DBADRM COC(C)(C)CCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604995540 1018501961 /nfs/dbraw/zinc/50/19/61/1018501961.db2.gz KRDWGIVKDTUDSW-UHFFFAOYSA-N -1 0 309.330 -0.107 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)CN1CCOCC1=O ZINC001604986621 1018503114 /nfs/dbraw/zinc/50/31/14/1018503114.db2.gz XLEDVKQQDJSZMJ-UHFFFAOYSA-N -1 0 315.322 -0.152 20 0 DBADRM CO[C@H](CC(C)C)Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC001605006488 1018504593 /nfs/dbraw/zinc/50/45/93/1018504593.db2.gz FQMPQRDSMREXBX-SECBINFHSA-N -1 0 308.342 -0.212 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)CCS1(=O)=O ZINC001605011990 1018504724 /nfs/dbraw/zinc/50/47/24/1018504724.db2.gz NVBCANZGMDATSV-SSDOTTSWSA-N -1 0 301.324 -0.623 20 0 DBADRM CCCC(=O)N[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001500898062 1018505689 /nfs/dbraw/zinc/50/56/89/1018505689.db2.gz MUYVYUKCVWDCSN-SECBINFHSA-N -1 0 313.358 -0.254 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001605011693 1018506629 /nfs/dbraw/zinc/50/66/29/1018506629.db2.gz FWJZAYYQLPQMAC-DBIOUOCHSA-N -1 0 319.379 -0.194 20 0 DBADRM CO[C@H](Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O)[C@H]1CCOC1 ZINC001605011558 1018506933 /nfs/dbraw/zinc/50/69/33/1018506933.db2.gz DUEHKFOPAQDQOF-IONNQARKSA-N -1 0 308.298 -0.820 20 0 DBADRM CO[C@H](C)C(=O)NCC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001605000237 1018507699 /nfs/dbraw/zinc/50/76/99/1018507699.db2.gz UWQGPKCIRFAVRB-DTWKUNHWSA-N -1 0 320.357 -0.580 20 0 DBADRM CO[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C[C@@H]1C ZINC001605031730 1018509005 /nfs/dbraw/zinc/50/90/05/1018509005.db2.gz BKXRDCNLUUEVCL-YUMQZZPRSA-N -1 0 321.341 -0.885 20 0 DBADRM CC[C@H](CNC(=O)[C@@H]1COC(=O)N1)Nc1ccnc(C(=O)[O-])n1 ZINC001605026629 1018509349 /nfs/dbraw/zinc/50/93/49/1018509349.db2.gz FNAMSAPQFYPISC-SFYZADRCSA-N -1 0 323.309 -0.988 20 0 DBADRM CO[C@H]1CN(C(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)CCO1 ZINC001605031917 1018509738 /nfs/dbraw/zinc/50/97/38/1018509738.db2.gz GYOKHXVAVMMHPF-SECBINFHSA-N -1 0 320.309 -0.279 20 0 DBADRM CC[C@H](CN1CCOCC1)NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001605024967 1018509823 /nfs/dbraw/zinc/50/98/23/1018509823.db2.gz OIVCXGPWPAATSR-SNVBAGLBSA-N -1 0 311.342 -0.797 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)Nc1cc(C)cn(C)c1=O)C(=O)[O-] ZINC001605022920 1018510958 /nfs/dbraw/zinc/51/09/58/1018510958.db2.gz DTNPQFSWTCEUEM-VIFPVBQESA-N -1 0 309.322 -0.141 20 0 DBADRM CO[C@H]1CC[C@H](C)N(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001605026780 1018511285 /nfs/dbraw/zinc/51/12/85/1018511285.db2.gz PDEOYRFNYZDFDX-YUMQZZPRSA-N -1 0 321.341 -0.743 20 0 DBADRM CC[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001605037198 1018513448 /nfs/dbraw/zinc/51/34/48/1018513448.db2.gz FAUCANXDUQYWCE-ZETCQYMHSA-N -1 0 301.324 -0.430 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)Nc1ccnc(C(=O)[O-])n1 ZINC001605035820 1018514899 /nfs/dbraw/zinc/51/48/99/1018514899.db2.gz STOOHVIWDBUYCN-DTWKUNHWSA-N -1 0 321.337 -0.818 20 0 DBADRM CC[C@@H](CNS(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)[O-] ZINC001605040717 1018516865 /nfs/dbraw/zinc/51/68/65/1018516865.db2.gz XVFCZKAGJCCHEW-BWKAKNAASA-N -1 0 301.390 -0.494 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc2c1CN(C)C2=O)C(=O)[O-] ZINC001605041043 1018517429 /nfs/dbraw/zinc/51/74/29/1018517429.db2.gz KJGDAUBSWDSSNN-ZETCQYMHSA-N -1 0 305.290 -0.200 20 0 DBADRM CC[C@@H](CO)NC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001605046914 1018518561 /nfs/dbraw/zinc/51/85/61/1018518561.db2.gz SCASMZSUIOVEFI-ZETCQYMHSA-N -1 0 324.289 -0.061 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001605064448 1018519962 /nfs/dbraw/zinc/51/99/62/1018519962.db2.gz UFCYCCKISAEKOA-RTHLEPHNSA-N -1 0 323.305 -0.702 20 0 DBADRM COCCC(=O)N(C)CCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001605073644 1018521957 /nfs/dbraw/zinc/52/19/57/1018521957.db2.gz KFDIHFWQRPBTLN-UHFFFAOYSA-N -1 0 320.357 -0.412 20 0 DBADRM CC[C@@H](NC(=O)NC/C=C(\C)C(=O)[O-])C(=O)N1CCOCC1 ZINC001605077886 1018524028 /nfs/dbraw/zinc/52/40/28/1018524028.db2.gz WECJEOJJPYBCKX-LLMHMKPQSA-N -1 0 313.354 -0.046 20 0 DBADRM COCC[C@@H](C)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001605078262 1018526124 /nfs/dbraw/zinc/52/61/24/1018526124.db2.gz CXYFDIHPGMYGLM-RKDXNWHRSA-N -1 0 308.346 -0.192 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)NCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001605089656 1018528971 /nfs/dbraw/zinc/52/89/71/1018528971.db2.gz JBGXVPNSLRSIHK-JTQLQIEISA-N -1 0 323.353 -0.358 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C(=O)NC ZINC001605100152 1018528981 /nfs/dbraw/zinc/52/89/81/1018528981.db2.gz YOOOKTAQUFQRLQ-ZCFIWIBFSA-N -1 0 304.328 -0.781 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)nn1 ZINC001605113891 1018532838 /nfs/dbraw/zinc/53/28/38/1018532838.db2.gz MDAKUIRFSWJKTR-JOYOIKCWSA-N -1 0 319.321 0.000 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])nn1 ZINC001605114395 1018532873 /nfs/dbraw/zinc/53/28/73/1018532873.db2.gz PVKATBHUPLYHEO-FXPVBKGRSA-N -1 0 312.326 -0.732 20 0 DBADRM CCC1(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001605133147 1018535496 /nfs/dbraw/zinc/53/54/96/1018535496.db2.gz IXGGMQFFTWIFBB-GHMZBOCLSA-N -1 0 312.366 -0.166 20 0 DBADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@H](O)CS(C)(=O)=O)c1 ZINC001605138002 1018536497 /nfs/dbraw/zinc/53/64/97/1018536497.db2.gz ANQGIKKAEGSFNJ-NSHDSACASA-N -1 0 315.347 -0.171 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C(=O)[O-])nn2)C1=O ZINC001605135331 1018537241 /nfs/dbraw/zinc/53/72/41/1018537241.db2.gz LWYROGZJGMFFBY-CYBMUJFWSA-N -1 0 321.293 -0.166 20 0 DBADRM COc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1nc(=O)o[n-]1 ZINC001605161660 1018538691 /nfs/dbraw/zinc/53/86/91/1018538691.db2.gz VQOIQCVJYYOSSR-UHFFFAOYSA-N -1 0 317.265 -0.518 20 0 DBADRM Cc1cc(C)n(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(=O)n1 ZINC001605157826 1018538755 /nfs/dbraw/zinc/53/87/55/1018538755.db2.gz NGWUKDQPCGNLBX-IAQYHMDHSA-N -1 0 321.333 -0.580 20 0 DBADRM COc1c(-c2nnn[n-]2)ccc(=O)n1C[C@@H]1CCNC(=O)CC1 ZINC001605154395 1018539656 /nfs/dbraw/zinc/53/96/56/1018539656.db2.gz ZLPBRTRRHMYIAV-VIFPVBQESA-N -1 0 318.337 -0.047 20 0 DBADRM CC[C@]1(O)CCCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001605149028 1018540609 /nfs/dbraw/zinc/54/06/09/1018540609.db2.gz YCIYEJSDAJQOHM-BHDSKKPTSA-N -1 0 315.370 -0.089 20 0 DBADRM CO[N-]C(=O)CNc1nc2ncccc2cc1-c1nn[nH]n1 ZINC001605144159 1018540926 /nfs/dbraw/zinc/54/09/26/1018540926.db2.gz SCTUXMRFOBBCOI-UHFFFAOYSA-N -1 0 300.282 -0.101 20 0 DBADRM CC[C@H]1CCCN1C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001605166641 1018541497 /nfs/dbraw/zinc/54/14/97/1018541497.db2.gz PVLSZXJJLHTBKM-JTQLQIEISA-N -1 0 313.354 -0.515 20 0 DBADRM CC/C=C(\C)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001605182642 1018541944 /nfs/dbraw/zinc/54/19/44/1018541944.db2.gz SRRBFFOHGVFGLQ-DQRKKKBRSA-N -1 0 309.322 -0.051 20 0 DBADRM CC[C@@H](C(=O)NC[C@H](O)CC(=O)[O-])N1CCO[C@H](CC)C1 ZINC001605171830 1018542590 /nfs/dbraw/zinc/54/25/90/1018542590.db2.gz BMFCTMUSNOTFTE-UTUOFQBUSA-N -1 0 302.371 -0.172 20 0 DBADRM Cc1cc(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)on1 ZINC001605172382 1018542696 /nfs/dbraw/zinc/54/26/96/1018542696.db2.gz INZMTXMUOQFCRH-UHFFFAOYSA-N -1 0 307.266 -0.481 20 0 DBADRM CC/C=C\[C@H](OC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-] ZINC001605187518 1018543081 /nfs/dbraw/zinc/54/30/81/1018543081.db2.gz WTMVWSYJBKNPKL-OMMCCPJFSA-N -1 0 310.310 -0.058 20 0 DBADRM CC[C@@H]1CN(C(=O)NCCOCC(=O)[O-])C[C@@H](C)S1(=O)=O ZINC001605171055 1018543384 /nfs/dbraw/zinc/54/33/84/1018543384.db2.gz QWLLGGBSEKEDRU-NXEZZACHSA-N -1 0 322.383 -0.305 20 0 DBADRM CC[C@H]1CN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CCO1 ZINC001605174566 1018543617 /nfs/dbraw/zinc/54/36/17/1018543617.db2.gz VHNPYUKPAYBMJF-GUBZILKMSA-N -1 0 301.343 -0.215 20 0 DBADRM CCCC(=O)N1CCC[C@@H](C(=O)N[C@](C)(CO)C(=O)[O-])C1 ZINC001605188769 1018543631 /nfs/dbraw/zinc/54/36/31/1018543631.db2.gz WGOHPYSSHAVHPB-QMTHXVAHSA-N -1 0 300.355 -0.023 20 0 DBADRM CC[C@@H]1CN(CN2C[C@@H](C(=O)[O-])CC2=O)C[C@H](C)S1(=O)=O ZINC001605179292 1018543892 /nfs/dbraw/zinc/54/38/92/1018543892.db2.gz PPUBBSFTPRFTFF-GARJFASQSA-N -1 0 318.395 -0.226 20 0 DBADRM CC[C@H]1CN(C(=O)NCCOCC(=O)[O-])C[C@@H](C)S1(=O)=O ZINC001605171064 1018544101 /nfs/dbraw/zinc/54/41/01/1018544101.db2.gz QWLLGGBSEKEDRU-ZJUUUORDSA-N -1 0 322.383 -0.305 20 0 DBADRM CC[C@@H]1CCN(C(=O)C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001605166858 1018544264 /nfs/dbraw/zinc/54/42/64/1018544264.db2.gz RWORQTFIRUEPIV-SNVBAGLBSA-N -1 0 313.354 -0.658 20 0 DBADRM CCC[C@H](C(=O)N1CCOC[C@@H]1CC(=O)[O-])S(N)(=O)=O ZINC001605191603 1018545605 /nfs/dbraw/zinc/54/56/05/1018545605.db2.gz CAMKUIWMNUZCPW-DTWKUNHWSA-N -1 0 308.356 -0.854 20 0 DBADRM CCC[C@@H](C(=O)N1CCOC[C@@H]1CC(=O)[O-])S(N)(=O)=O ZINC001605191604 1018545694 /nfs/dbraw/zinc/54/56/94/1018545694.db2.gz CAMKUIWMNUZCPW-IUCAKERBSA-N -1 0 308.356 -0.854 20 0 DBADRM CCCC(=O)NCC1(O)CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001605190384 1018547130 /nfs/dbraw/zinc/54/71/30/1018547130.db2.gz KBIOQGZUPVSWEN-QWRGUYRKSA-N -1 0 312.366 -0.023 20 0 DBADRM Cc1cc(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)n(C)n1 ZINC001605192782 1018548233 /nfs/dbraw/zinc/54/82/33/1018548233.db2.gz NQWBDVQTJYCFAU-UHFFFAOYSA-N -1 0 315.351 -0.053 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001605245896 1018549601 /nfs/dbraw/zinc/54/96/01/1018549601.db2.gz MWXMBLHAKAHLLQ-TVQRCGJNSA-N -1 0 301.343 -0.037 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001605245830 1018549932 /nfs/dbraw/zinc/54/99/32/1018549932.db2.gz KWMDVMSFXZPYJQ-ZANVPECISA-N -1 0 301.343 -0.084 20 0 DBADRM CCC/C=C/[C@@H](O)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001605229735 1018550777 /nfs/dbraw/zinc/55/07/77/1018550777.db2.gz MBFDYFMQIAUKBE-PNNSRGJJSA-N -1 0 319.379 -0.292 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001605245828 1018550865 /nfs/dbraw/zinc/55/08/65/1018550865.db2.gz KWMDVMSFXZPYJQ-RNCFNFMXSA-N -1 0 301.343 -0.084 20 0 DBADRM CCCCC[C@H](NC(=O)C1(OC)CS(=O)(=O)C1)C(=O)[O-] ZINC001605258514 1018550882 /nfs/dbraw/zinc/55/08/82/1018550882.db2.gz PMAIMEOVHBQISF-VIFPVBQESA-N -1 0 307.368 -0.050 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001605271680 1018552486 /nfs/dbraw/zinc/55/24/86/1018552486.db2.gz BNYSRBDCUGKKKF-QWRGUYRKSA-N -1 0 321.395 -0.115 20 0 DBADRM CCCN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605305305 1018552691 /nfs/dbraw/zinc/55/26/91/1018552691.db2.gz LHJCKJQEHHWOHY-RKDXNWHRSA-N -1 0 308.356 -0.621 20 0 DBADRM CCCN(C(=O)C(N)=O)[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001605299788 1018553203 /nfs/dbraw/zinc/55/32/03/1018553203.db2.gz SGRXNWAEEMPADY-JTQLQIEISA-N -1 0 321.337 -0.523 20 0 DBADRM CCCCN(CCO)C(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001605277122 1018555026 /nfs/dbraw/zinc/55/50/26/1018555026.db2.gz LFFSUGLWWVRRDE-MNOVXSKESA-N -1 0 316.354 -0.692 20 0 DBADRM Cc1ccc(CCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)nc1 ZINC001605270826 1018555171 /nfs/dbraw/zinc/55/51/71/1018555171.db2.gz JGUJYVJAXXKLSM-LBPRGKRZSA-N -1 0 321.333 -0.639 20 0 DBADRM CCCCOCCNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001605285462 1018555506 /nfs/dbraw/zinc/55/55/06/1018555506.db2.gz SQQZPJSLCDAMRO-UHFFFAOYSA-N -1 0 312.326 -0.010 20 0 DBADRM CCCOCC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001605336955 1018556475 /nfs/dbraw/zinc/55/64/75/1018556475.db2.gz SAXJBPWUOHQGCR-IUCAKERBSA-N -1 0 313.310 -0.981 20 0 DBADRM CCCN1C[C@@H](C(=O)N[C@H](CC(=O)OC)C(=O)[O-])CC1=O ZINC001605323260 1018556968 /nfs/dbraw/zinc/55/69/68/1018556968.db2.gz ZUKGVMPMEMJESM-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM Cc1cccc(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)n1 ZINC001605339621 1018556990 /nfs/dbraw/zinc/55/69/90/1018556990.db2.gz WFQHTYMQOVUKNM-UHFFFAOYSA-N -1 0 317.305 -0.074 20 0 DBADRM CCCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001605331437 1018557618 /nfs/dbraw/zinc/55/76/18/1018557618.db2.gz SDZZJJFMJZIIQX-UHFFFAOYSA-N -1 0 303.340 -0.472 20 0 DBADRM COc1csc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c1 ZINC001605342804 1018557708 /nfs/dbraw/zinc/55/77/08/1018557708.db2.gz OLYSLNDTSSNWNI-UHFFFAOYSA-N -1 0 320.338 -0.042 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001605345693 1018558448 /nfs/dbraw/zinc/55/84/48/1018558448.db2.gz MWMDKACJOPTVBT-GFCCVEGCSA-N -1 0 318.351 -0.357 20 0 DBADRM CCCN1C[C@@H](CNS(=O)(=O)C[C@H](C)C(=O)[O-])CC1=O ZINC001605321044 1018558801 /nfs/dbraw/zinc/55/88/01/1018558801.db2.gz ANLSJOLZNKWIAW-VHSXEESVSA-N -1 0 306.384 -0.115 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001605345728 1018558996 /nfs/dbraw/zinc/55/89/96/1018558996.db2.gz OWLOEOZVYRKFDK-GFCCVEGCSA-N -1 0 317.367 -0.333 20 0 DBADRM CCCNC(=O)CNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001605331329 1018559538 /nfs/dbraw/zinc/55/95/38/1018559538.db2.gz PDOXNKWBXIVHGR-UHFFFAOYSA-N -1 0 315.351 -0.107 20 0 DBADRM CCCS(=O)(=O)CCN(CCN1CCOCC1)CC(=O)[O-] ZINC001605345580 1018559559 /nfs/dbraw/zinc/55/95/59/1018559559.db2.gz GSYOFRHHURQCHK-UHFFFAOYSA-N -1 0 322.427 -0.470 20 0 DBADRM CCC[C@H](O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001605360761 1018565269 /nfs/dbraw/zinc/56/52/69/1018565269.db2.gz CLUCLPDMIRLYJJ-FZMZJTMJSA-N -1 0 300.355 -0.465 20 0 DBADRM Cc1cccn2cc(CCNC(=O)C(=O)NCCC(=O)[O-])nc12 ZINC001605360173 1018565720 /nfs/dbraw/zinc/56/57/20/1018565720.db2.gz KHDGVLDMAJJEJF-UHFFFAOYSA-N -1 0 318.333 -0.108 20 0 DBADRM Cc1cncc(CCNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001605376042 1018566689 /nfs/dbraw/zinc/56/66/89/1018566689.db2.gz RLLOJOUWGJKXTR-GFCCVEGCSA-N -1 0 320.349 -0.233 20 0 DBADRM Cc1cnc(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)s1 ZINC001605374266 1018569032 /nfs/dbraw/zinc/56/90/32/1018569032.db2.gz YZSPVXMGECMGBO-UHFFFAOYSA-N -1 0 323.334 -0.012 20 0 DBADRM CCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)C(=O)[O-] ZINC001605358924 1018569484 /nfs/dbraw/zinc/56/94/84/1018569484.db2.gz MVDVSIZQGOGHGC-UWVGGRQHSA-N -1 0 315.370 -0.238 20 0 DBADRM CCC[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(=O)OC ZINC001605361378 1018569779 /nfs/dbraw/zinc/56/97/79/1018569779.db2.gz YNBXWEIKCDIACH-VIFPVBQESA-N -1 0 319.339 -0.412 20 0 DBADRM Cc1cnn(Cc2cn([C@H]3CCN(CC(=O)[O-])C3=O)nn2)c1 ZINC001605382079 1018570287 /nfs/dbraw/zinc/57/02/87/1018570287.db2.gz UNEGLXNJEQXMDP-NSHDSACASA-N -1 0 304.310 -0.311 20 0 DBADRM CCN(C(=O)Cc1ccc(C(=O)[O-])nc1)[C@H]1CC(=O)NC1=O ZINC001605396501 1018570487 /nfs/dbraw/zinc/57/04/87/1018570487.db2.gz UJOMBSLVANHFOP-JTQLQIEISA-N -1 0 305.290 -0.414 20 0 DBADRM CSc1nc(CNc2ccnc(-c3nnn[n-]3)n2)cc(=O)[nH]1 ZINC001605392434 1018571007 /nfs/dbraw/zinc/57/10/07/1018571007.db2.gz FPCVLXRQKRFPPI-UHFFFAOYSA-N -1 0 317.338 -0.092 20 0 DBADRM Cc1nc(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001605398216 1018571297 /nfs/dbraw/zinc/57/12/97/1018571297.db2.gz FMCHHAZEMXJRII-VXNVDRBHSA-N -1 0 319.325 -0.123 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)NC/C=C/CO)cc1-c1nnn[n-]1 ZINC001605381591 1018571337 /nfs/dbraw/zinc/57/13/37/1018571337.db2.gz YFCXGYTZFGBXEB-NSCUHMNNSA-N -1 0 322.350 -0.033 20 0 DBADRM CS[C@H]1C[C@H](NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001605381480 1018572364 /nfs/dbraw/zinc/57/23/64/1018572364.db2.gz VVDRSHQQFSLPAA-ZKCHVHJHSA-N -1 0 323.386 -0.349 20 0 DBADRM Cc1nc(N2CCN(C(=O)[C@]3(C(=O)[O-])CCCO3)CC2)n[nH]1 ZINC001605388355 1018572416 /nfs/dbraw/zinc/57/24/16/1018572416.db2.gz NPHANEJJDGZXRR-ZDUSSCGKSA-N -1 0 309.326 -0.604 20 0 DBADRM CCCn1c(CO)nnc1S[C@@H](C)C(=O)NCC(=O)[O-] ZINC001605385062 1018572479 /nfs/dbraw/zinc/57/24/79/1018572479.db2.gz JOLKNKIWUMCURM-ZETCQYMHSA-N -1 0 302.356 -0.138 20 0 DBADRM CCCn1ncnc1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001605391276 1018572589 /nfs/dbraw/zinc/57/25/89/1018572589.db2.gz ZZRPSWKOFLHSNP-VIFPVBQESA-N -1 0 302.356 -0.628 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)N[C@H](C)C(N)=O)cc1-c1nnn[n-]1 ZINC001605381391 1018572937 /nfs/dbraw/zinc/57/29/37/1018572937.db2.gz WICRRMBDZZDKAX-SCSAIBSYSA-N -1 0 323.338 -0.707 20 0 DBADRM Cc1nc(Cn2nnc(NC(=O)N3CC(C(=O)[O-])C3)c2C)no1 ZINC001605408068 1018574103 /nfs/dbraw/zinc/57/41/03/1018574103.db2.gz GFRUNLYMAQUMFW-UHFFFAOYSA-N -1 0 321.297 -0.125 20 0 DBADRM CCN(C)C(=O)[C@H](C)N1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001605405776 1018574446 /nfs/dbraw/zinc/57/44/46/1018574446.db2.gz BJWRNPIYNUJKBR-AEJSXWLSSA-N -1 0 311.338 -0.019 20 0 DBADRM CCN([C@H]1CCNC1=O)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001605411332 1018574834 /nfs/dbraw/zinc/57/48/34/1018574834.db2.gz FQDHPEUUQHRTER-JTQLQIEISA-N -1 0 319.383 -0.762 20 0 DBADRM Cc1nc(Cl)ccc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001605408061 1018575279 /nfs/dbraw/zinc/57/52/79/1018575279.db2.gz FUPXWSBATWPAFK-LBPRGKRZSA-N -1 0 315.713 -0.066 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)CN[C@]1(C(=O)[O-])CCOC1 ZINC001605413929 1018575872 /nfs/dbraw/zinc/57/58/72/1018575872.db2.gz QKTFIOPGHZKGKG-CQSZACIVSA-N -1 0 315.370 -0.807 20 0 DBADRM CCN(CC(=O)N(C)C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001605411428 1018576278 /nfs/dbraw/zinc/57/62/78/1018576278.db2.gz KBOPKQPXLSXDOP-UHFFFAOYSA-N -1 0 304.328 -0.793 20 0 DBADRM C[C@@H](NS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[O-] ZINC001605404161 1018576375 /nfs/dbraw/zinc/57/63/75/1018576375.db2.gz AHMYEQJFGTUXFB-SSDOTTSWSA-N -1 0 311.323 -0.241 20 0 DBADRM Cc1nccc(NC(=O)C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)n1 ZINC001605424317 1018577487 /nfs/dbraw/zinc/57/74/87/1018577487.db2.gz GNEDIWIYGVHXBT-SNVBAGLBSA-N -1 0 318.293 -0.601 20 0 DBADRM Cc1nccnc1N1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001605424423 1018577808 /nfs/dbraw/zinc/57/78/08/1018577808.db2.gz RXTPGOPIZBMERS-GFCCVEGCSA-N -1 0 319.365 -0.407 20 0 DBADRM Cc1nccnc1N1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001605424000 1018578113 /nfs/dbraw/zinc/57/81/13/1018578113.db2.gz BRWMWHHFYPLDNR-LBPRGKRZSA-N -1 0 319.365 -0.202 20 0 DBADRM CCN(CC)C(=O)CCC(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001605422389 1018578482 /nfs/dbraw/zinc/57/84/82/1018578482.db2.gz WOWFADABIMSTRQ-SNVBAGLBSA-N -1 0 311.342 -0.504 20 0 DBADRM CCN(CC)C(=O)CCCNC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001605422990 1018578627 /nfs/dbraw/zinc/57/86/27/1018578627.db2.gz KJADUJCTKFYOQJ-UHFFFAOYSA-N -1 0 301.343 -0.524 20 0 DBADRM C[C@@H]1C[C@H](O)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001605425211 1018579695 /nfs/dbraw/zinc/57/96/95/1018579695.db2.gz FCJXWKRIGCTTFC-SFYZADRCSA-N -1 0 313.339 -0.149 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001605423991 1018579969 /nfs/dbraw/zinc/57/99/69/1018579969.db2.gz BLTCFHJHIKHQPQ-NSHDSACASA-N -1 0 308.338 -0.369 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1C(=O)N(CC)CC(=O)OC ZINC001605417798 1018580523 /nfs/dbraw/zinc/58/05/23/1018580523.db2.gz HRTBRNRUYCIMGN-ZJUUUORDSA-N -1 0 314.338 -0.423 20 0 DBADRM CCN(CCNC(=O)c1nnc[nH]1)c1ncc(C(=O)[O-])cn1 ZINC001605447965 1018584883 /nfs/dbraw/zinc/58/48/83/1018584883.db2.gz OCBUKXHICBRZAZ-UHFFFAOYSA-N -1 0 305.298 -0.451 20 0 DBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)NCCCCC(=O)[O-])c1C ZINC001605444820 1018585215 /nfs/dbraw/zinc/58/52/15/1018585215.db2.gz WWIWSVJKXUKLAS-UHFFFAOYSA-N -1 0 324.337 -0.214 20 0 DBADRM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H](C)NC(N)=O ZINC001605447728 1018585252 /nfs/dbraw/zinc/58/52/52/1018585252.db2.gz GFRXZKRVJQHUPS-QMMMGPOBSA-N -1 0 324.341 -0.508 20 0 DBADRM CCN(CCNc1ccc2nnnn2n1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001605447995 1018585275 /nfs/dbraw/zinc/58/52/75/1018585275.db2.gz PCQCUMRYOJFTAB-BDAKNGLRSA-N -1 0 319.325 -0.500 20 0 DBADRM Cc1nnc(CN(C)C(=O)C(=O)NC[C@H](C)C(=O)[O-])s1 ZINC001605440656 1018585350 /nfs/dbraw/zinc/58/53/50/1018585350.db2.gz KLJANEMANNYPHT-LURJTMIESA-N -1 0 300.340 -0.358 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O)CC2 ZINC001605444832 1018586966 /nfs/dbraw/zinc/58/69/66/1018586966.db2.gz YAQSYJDTKGEBTI-NXEZZACHSA-N -1 0 322.321 -0.622 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)n1C ZINC001605441351 1018587512 /nfs/dbraw/zinc/58/75/12/1018587512.db2.gz UQYVQVRAPHSFGI-SCZZXKLOSA-N -1 0 323.353 -0.691 20 0 DBADRM Cc1noc(CCC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001605448861 1018588502 /nfs/dbraw/zinc/58/85/02/1018588502.db2.gz MMIWRUGDDZOILM-JTQLQIEISA-N -1 0 324.337 -0.107 20 0 DBADRM CCN(CCNC(=O)Cc1nc[nH]n1)c1ncc(C(=O)[O-])cn1 ZINC001605449296 1018588825 /nfs/dbraw/zinc/58/88/25/1018588825.db2.gz PCFGANVBQMNGMR-UHFFFAOYSA-N -1 0 319.325 -0.522 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)c1cc[nH]c1 ZINC001501182174 1018589322 /nfs/dbraw/zinc/58/93/22/1018589322.db2.gz NOLOIPOQVLLDRF-UHFFFAOYSA-N -1 0 320.309 -0.545 20 0 DBADRM CCN(CCOCCO)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001605449454 1018590274 /nfs/dbraw/zinc/59/02/74/1018590274.db2.gz FTGLKRQWDUDZLF-UHFFFAOYSA-N -1 0 309.384 -0.098 20 0 DBADRM CCN1C[C@@H](CNC(=O)NCCn2cc(C(=O)[O-])nn2)CC1=O ZINC001605469482 1018591871 /nfs/dbraw/zinc/59/18/71/1018591871.db2.gz IJEOGFROIFGAED-SECBINFHSA-N -1 0 324.341 -0.856 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CCC[C@@H](C)O)c(=O)n1C1CC1 ZINC001605463463 1018592166 /nfs/dbraw/zinc/59/21/66/1018592166.db2.gz WXVYXUORTRJIFV-MRVPVSSYSA-N -1 0 320.353 -0.006 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CCC[C@H](C)O)c(=O)n1C1CC1 ZINC001605463464 1018592362 /nfs/dbraw/zinc/59/23/62/1018592362.db2.gz WXVYXUORTRJIFV-QMMMGPOBSA-N -1 0 320.353 -0.006 20 0 DBADRM Cn1c(=O)cc(N[C@H]2CCCCN(CC(=O)[O-])C2=O)[nH]c1=O ZINC001605467441 1018592746 /nfs/dbraw/zinc/59/27/46/1018592746.db2.gz NKEGPSZDMYGIQK-QMMMGPOBSA-N -1 0 310.310 -0.637 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])CCN2C1=O ZINC001605464487 1018593187 /nfs/dbraw/zinc/59/31/87/1018593187.db2.gz JKJFWPAIBHGZQI-BBBLOLIVSA-N -1 0 324.337 -0.615 20 0 DBADRM CCN1C[C@H](CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1=O ZINC001605469009 1018593435 /nfs/dbraw/zinc/59/34/35/1018593435.db2.gz CIDSEPIFHTWTTE-ZETCQYMHSA-N -1 0 316.339 -0.745 20 0 DBADRM CCN1C[C@H](CNC(=O)NCCn2cc(C(=O)[O-])nn2)CC1=O ZINC001605469486 1018593976 /nfs/dbraw/zinc/59/39/76/1018593976.db2.gz IJEOGFROIFGAED-VIFPVBQESA-N -1 0 324.341 -0.856 20 0 DBADRM Cn1c(CCCS(C)(=O)=O)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001605468027 1018594176 /nfs/dbraw/zinc/59/41/76/1018594176.db2.gz SVGJMLMREQTLCM-VIFPVBQESA-N -1 0 316.383 -0.297 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(Cc2cn[nH]c2)c(=O)n1C1CC1 ZINC001605465158 1018594866 /nfs/dbraw/zinc/59/48/66/1018594866.db2.gz QVDMUHIOZVKODW-UHFFFAOYSA-N -1 0 314.309 -0.395 20 0 DBADRM CCN1C[C@H](NC(=O)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])CC1=O ZINC001605470345 1018595281 /nfs/dbraw/zinc/59/52/81/1018595281.db2.gz RHNXXRGFAZHHDC-MRVPVSSYSA-N -1 0 322.321 -0.303 20 0 DBADRM CCN1CC[C@@H](OC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1=O ZINC001605472591 1018596083 /nfs/dbraw/zinc/59/60/83/1018596083.db2.gz SICNSNRMYDOCRU-VHSXEESVSA-N -1 0 312.322 -0.526 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)ccc1=O ZINC001605480987 1018596666 /nfs/dbraw/zinc/59/66/66/1018596666.db2.gz BETCNJCSTKKMDJ-NSHDSACASA-N -1 0 321.333 -0.419 20 0 DBADRM Cn1cc(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)nn1 ZINC001605481163 1018596862 /nfs/dbraw/zinc/59/68/62/1018596862.db2.gz OHHDVNOGINANIS-VIFPVBQESA-N -1 0 321.337 -0.647 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)CC1 ZINC001605478991 1018596986 /nfs/dbraw/zinc/59/69/86/1018596986.db2.gz QJIUEKBFCVQMGP-VXGBXAGGSA-N -1 0 311.382 -0.280 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001605473104 1018597579 /nfs/dbraw/zinc/59/75/79/1018597579.db2.gz DUNSUQINIVWMKF-UHFFFAOYSA-N -1 0 314.367 -0.009 20 0 DBADRM CCN1CC[C@@H]1CNC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001605476218 1018597720 /nfs/dbraw/zinc/59/77/20/1018597720.db2.gz WUEAYOPYOVRHPL-VXGBXAGGSA-N -1 0 323.393 -0.090 20 0 DBADRM CCN1CC[C@H](OC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1=O ZINC001605472590 1018598163 /nfs/dbraw/zinc/59/81/63/1018598163.db2.gz SICNSNRMYDOCRU-UWVGGRQHSA-N -1 0 312.322 -0.526 20 0 DBADRM CCN1CCN(Cn2nc(C(=O)[O-])cc2C(=O)OC)CC1=O ZINC001605481813 1018600060 /nfs/dbraw/zinc/60/00/60/1018600060.db2.gz MAXKPTFBAYEDAG-UHFFFAOYSA-N -1 0 310.310 -0.511 20 0 DBADRM CCNC(=O)C(C)(C)CNS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001605487637 1018600421 /nfs/dbraw/zinc/60/04/21/1018600421.db2.gz XRCSRORKPKEWMK-UHFFFAOYSA-N -1 0 306.384 -0.067 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC001605482720 1018601128 /nfs/dbraw/zinc/60/11/28/1018601128.db2.gz BFMDDYOZXHSAAL-NSHDSACASA-N -1 0 309.326 -0.920 20 0 DBADRM CCNC(=O)C(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001605487396 1018601509 /nfs/dbraw/zinc/60/15/09/1018601509.db2.gz LHXBPAYYLXFVMR-UHFFFAOYSA-N -1 0 304.328 -0.699 20 0 DBADRM CCN1CCO[C@@H](C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)C1 ZINC001605482709 1018601610 /nfs/dbraw/zinc/60/16/10/1018601610.db2.gz ATRSHPOKJHPQLG-BXUZGUMPSA-N -1 0 300.355 -0.153 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(Cc3nc(=O)n(C)[nH]3)C2)cn1 ZINC001605488768 1018601683 /nfs/dbraw/zinc/60/16/83/1018601683.db2.gz MCEQVNQIEWHLHZ-NXEZZACHSA-N -1 0 320.353 -0.468 20 0 DBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001605488051 1018601741 /nfs/dbraw/zinc/60/17/41/1018601741.db2.gz CHENLDOSSXLFEH-IUCAKERBSA-N -1 0 306.326 -0.066 20 0 DBADRM CCNC(=O)C1(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CCC1 ZINC001605487667 1018602526 /nfs/dbraw/zinc/60/25/26/1018602526.db2.gz ZGGGWKUARQDIRE-SNVBAGLBSA-N -1 0 313.354 -0.212 20 0 DBADRM CCN1CCO[C@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)C1 ZINC001605483012 1018602546 /nfs/dbraw/zinc/60/25/46/1018602546.db2.gz VIYZYVWOEWTXTB-MXWKQRLJSA-N -1 0 314.338 -0.961 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)C[C@H]3CC(=O)N3)C2)cn1 ZINC001605491512 1018603353 /nfs/dbraw/zinc/60/33/53/1018603353.db2.gz RIDTUAGIODIDOK-CKYFFXLPSA-N -1 0 320.349 -0.285 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001605493408 1018604394 /nfs/dbraw/zinc/60/43/94/1018604394.db2.gz VZRZCWCRAZLBHT-GFCCVEGCSA-N -1 0 324.381 -0.377 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001605492639 1018604672 /nfs/dbraw/zinc/60/46/72/1018604672.db2.gz AZIVWLGHIFGMNT-UHFFFAOYSA-N -1 0 323.305 -0.659 20 0 DBADRM CCNC(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001605495127 1018605191 /nfs/dbraw/zinc/60/51/91/1018605191.db2.gz PKYZWIMMDOBLRS-UHFFFAOYSA-N -1 0 318.355 -0.679 20 0 DBADRM Cn1cc(CCC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cn1 ZINC001605491382 1018605359 /nfs/dbraw/zinc/60/53/59/1018605359.db2.gz YRKCAUZUUNNWDH-GFCCVEGCSA-N -1 0 322.365 -0.065 20 0 DBADRM CCNC(=O)NC(=O)Cn1cnc2cc(C(=O)[O-])ccc2c1=O ZINC001605495102 1018605620 /nfs/dbraw/zinc/60/56/20/1018605620.db2.gz OVOGYXLIPNZNPE-UHFFFAOYSA-N -1 0 318.289 -0.060 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(c2nccc(C(=O)[O-])n2)C1 ZINC001605499223 1018606672 /nfs/dbraw/zinc/60/66/72/1018606672.db2.gz VQEHBUVFFBELLJ-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-])C(C)=O ZINC001605507570 1018607921 /nfs/dbraw/zinc/60/79/21/1018607921.db2.gz GIJDGIJHDTZVKU-JFGNBEQYSA-N -1 0 315.322 -0.419 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001605498772 1018608531 /nfs/dbraw/zinc/60/85/31/1018608531.db2.gz FTHUFQDIFHKYPT-VIFPVBQESA-N -1 0 315.351 -0.133 20 0 DBADRM Cn1ccc(CCn2nnnc2N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC001605505431 1018608912 /nfs/dbraw/zinc/60/89/12/1018608912.db2.gz IAFNSPRBHNEXAV-CYBMUJFWSA-N -1 0 305.342 -0.050 20 0 DBADRM Cn1ccnc1[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC001605512462 1018611136 /nfs/dbraw/zinc/61/11/36/1018611136.db2.gz UDVIAGPUUHKXRY-QWRGUYRKSA-N -1 0 320.349 -0.331 20 0 DBADRM Cn1cccc1CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001605512089 1018611341 /nfs/dbraw/zinc/61/13/41/1018611341.db2.gz ZRZRSWUAFKPAJX-MEBBXXQBSA-N -1 0 321.333 -0.799 20 0 DBADRM CCOC(=O)[C@@H](CO)NS(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001605509359 1018612037 /nfs/dbraw/zinc/61/20/37/1018612037.db2.gz QQWNQLPEWDWBCE-UDNWOFFPSA-N -1 0 323.367 -0.527 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001605532195 1018613126 /nfs/dbraw/zinc/61/31/26/1018613126.db2.gz DOOIVEUXVWGFMY-NOZJJQNGSA-N -1 0 313.310 -0.843 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)Cc1nnc(S(C)(=O)=O)s1 ZINC001605625130 1018635436 /nfs/dbraw/zinc/63/54/36/1018635436.db2.gz RAPOFLOGAFSPDL-SSDOTTSWSA-N -1 0 323.396 -0.137 20 0 DBADRM Cn1cnn(CC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c1=O ZINC001605523190 1018614748 /nfs/dbraw/zinc/61/47/48/1018614748.db2.gz UZLRYNLABBAZLT-XIRUVYRFSA-N -1 0 324.337 -0.890 20 0 DBADRM Cn1cnn(CC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c1=O ZINC001605523183 1018614896 /nfs/dbraw/zinc/61/48/96/1018614896.db2.gz UZLRYNLABBAZLT-OPASDULOSA-N -1 0 324.337 -0.890 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC001605532739 1018615248 /nfs/dbraw/zinc/61/52/48/1018615248.db2.gz HVWPFYIZILNDRC-SSDOTTSWSA-N -1 0 301.324 -0.623 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN[C@@H]1CCN(C2CCOCC2)C1=O ZINC001605538629 1018616497 /nfs/dbraw/zinc/61/64/97/1018616497.db2.gz BDJYELIXQTYPOR-GFCCVEGCSA-N -1 0 322.365 -0.012 20 0 DBADRM Cn1nc(C2CC2)cc1CNCCS(=O)(=O)CC(=O)[O-] ZINC001605545353 1018616882 /nfs/dbraw/zinc/61/68/82/1018616882.db2.gz ILFGESOIQMVHLJ-UHFFFAOYSA-N -1 0 301.368 -0.114 20 0 DBADRM CCOC(=O)COCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001605542268 1018617212 /nfs/dbraw/zinc/61/72/12/1018617212.db2.gz KCYNZUMHFBJIHX-JTQLQIEISA-N -1 0 318.326 -0.549 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001605538857 1018617479 /nfs/dbraw/zinc/61/74/79/1018617479.db2.gz FXANZCVCVYSQAU-GQCTYLIASA-N -1 0 324.289 -0.132 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001605534136 1018617612 /nfs/dbraw/zinc/61/76/12/1018617612.db2.gz UZJMVZNUBKVOFH-UHFFFAOYSA-N -1 0 316.339 -0.941 20 0 DBADRM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cn1cnc(C(=O)[O-])n1 ZINC001605534692 1018618155 /nfs/dbraw/zinc/61/81/55/1018618155.db2.gz FTGCFSKCVQUOOZ-ZJUUUORDSA-N -1 0 312.326 -0.024 20 0 DBADRM CCOC(=O)N1CSC[C@@H]1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001605552608 1018621247 /nfs/dbraw/zinc/62/12/47/1018621247.db2.gz UMJDNSZGNLIFHB-SSDOTTSWSA-N -1 0 304.324 -0.824 20 0 DBADRM CCOC(=O)NCCC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001605552060 1018621420 /nfs/dbraw/zinc/62/14/20/1018621420.db2.gz VKMOTNOKRNMFKB-CYBMUJFWSA-N -1 0 313.310 -0.045 20 0 DBADRM CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H](O)C(=O)[O-] ZINC001605551207 1018621483 /nfs/dbraw/zinc/62/14/83/1018621483.db2.gz KAPCTFXFCFVYJL-NEPJUHHUSA-N -1 0 324.333 -0.095 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)NC(C)(C)C(=O)[O-])CC1 ZINC001605550974 1018622380 /nfs/dbraw/zinc/62/23/80/1018622380.db2.gz GPQUIWJUHBSWJV-UHFFFAOYSA-N -1 0 323.371 -0.542 20 0 DBADRM Cn1nccc1[C@H](NCc1nnn(CC(F)(F)F)n1)C(=O)[O-] ZINC001605569672 1018623172 /nfs/dbraw/zinc/62/31/72/1018623172.db2.gz IDYIQWUDLZZMBJ-QMMMGPOBSA-N -1 0 319.247 -0.116 20 0 DBADRM Cn1nccc1[C@H](NC(=O)C[C@H]1CCCS1(=O)=O)C(=O)[O-] ZINC001605563930 1018623961 /nfs/dbraw/zinc/62/39/61/1018623961.db2.gz QRZCHVFFJWCVDT-KCJUWKMLSA-N -1 0 315.351 -0.371 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001605559175 1018624544 /nfs/dbraw/zinc/62/45/44/1018624544.db2.gz YYMGDRXKRCGLAT-BBBLOLIVSA-N -1 0 315.322 -0.092 20 0 DBADRM Cn1nccc1C1(O)CCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001605569633 1018624605 /nfs/dbraw/zinc/62/46/05/1018624605.db2.gz FVVDWOJOKUBZRC-LLVKDONJSA-N -1 0 322.365 -0.611 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)C(=O)Nc1cnsn1)C(=O)[O-] ZINC001605561629 1018625561 /nfs/dbraw/zinc/62/55/61/1018625561.db2.gz KPNMWZAATGGEIC-SSDOTTSWSA-N -1 0 310.295 -0.848 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@H]1CCCc2nn[nH]c21)C(=O)[O-] ZINC001605562476 1018625585 /nfs/dbraw/zinc/62/55/85/1018625585.db2.gz BJIXTZHWDVIYOA-WRWORJQWSA-N -1 0 304.310 -0.100 20 0 DBADRM Cn1nccc1[C@H](NCc1nnnn1CC(F)(F)F)C(=O)[O-] ZINC001605570489 1018628178 /nfs/dbraw/zinc/62/81/78/1018628178.db2.gz YICKBIMVPKGFQU-QMMMGPOBSA-N -1 0 319.247 -0.116 20 0 DBADRM Cn1nnc2ccc(C(=O)O[C@H]3CCN(CC(=O)[O-])C3=O)cc21 ZINC001605576099 1018628402 /nfs/dbraw/zinc/62/84/02/1018628402.db2.gz HHRKMGZYTLUOJN-NSHDSACASA-N -1 0 318.289 -0.189 20 0 DBADRM N#CN1CCC(OC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001605601554 1018630474 /nfs/dbraw/zinc/63/04/74/1018630474.db2.gz RWZPBBRMCQXANW-NSHDSACASA-N -1 0 309.322 -0.202 20 0 DBADRM CCO[C@@H]1C[C@](NCc2nc(N)nc(N)n2)(C(=O)[O-])C1(C)C ZINC001605603475 1018631040 /nfs/dbraw/zinc/63/10/40/1018631040.db2.gz IGHLFNNKRZCGMT-UHLUBPPHSA-N -1 0 310.358 -0.216 20 0 DBADRM CCO[C@@H]1C[C@@](NC(=O)[C@@H]2COC(=O)N2)(C(=O)[O-])C1(C)C ZINC001605603097 1018631681 /nfs/dbraw/zinc/63/16/81/1018631681.db2.gz ABJPOXVVEXHLSJ-HHURGBBESA-N -1 0 300.311 -0.131 20 0 DBADRM CCOC(CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)OCC ZINC001605592512 1018632877 /nfs/dbraw/zinc/63/28/77/1018632877.db2.gz LNCIJRIJHZSVPF-JTQLQIEISA-N -1 0 316.354 -0.175 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CNC(=O)N1CCCC1 ZINC001605620718 1018634709 /nfs/dbraw/zinc/63/47/09/1018634709.db2.gz RHOIUFRFTJJJCV-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CCOC[C@@H]1CN(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])CCO1 ZINC001605626066 1018635465 /nfs/dbraw/zinc/63/54/65/1018635465.db2.gz MATSSKUBDPTQCG-SRVKXCTJSA-N -1 0 316.354 -0.077 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)CC(=O)N[C@H](C(=O)OC)C(C)C ZINC001605623830 1018635686 /nfs/dbraw/zinc/63/56/86/1018635686.db2.gz GMEKZTLJFQGEGD-PWSUYJOCSA-N -1 0 318.370 -0.278 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1CC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001605615235 1018636417 /nfs/dbraw/zinc/63/64/17/1018636417.db2.gz DRKDGGOAUXKOHS-DDHJBXDOSA-N -1 0 301.339 -0.136 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605617052 1018636499 /nfs/dbraw/zinc/63/64/99/1018636499.db2.gz WHEVKKCGWPVLEW-ZRUFSTJUSA-N -1 0 314.338 -0.724 20 0 DBADRM NC(=O)CCNC(=O)c1ccc(NC(=O)COCC(=O)[O-])cc1 ZINC001605631983 1018636869 /nfs/dbraw/zinc/63/68/69/1018636869.db2.gz WQTMMBRWLUVBTE-UHFFFAOYSA-N -1 0 323.305 -0.669 20 0 DBADRM NC(=O)C1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)CC1 ZINC001605627539 1018638052 /nfs/dbraw/zinc/63/80/52/1018638052.db2.gz GDHGSVKCRNNXNU-UHFFFAOYSA-N -1 0 307.306 -0.730 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001605626796 1018638212 /nfs/dbraw/zinc/63/82/12/1018638212.db2.gz MHCFDNMEOCAHRP-VIFPVBQESA-N -1 0 302.290 -0.066 20 0 DBADRM NC(=O)COC1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001605631961 1018638335 /nfs/dbraw/zinc/63/83/35/1018638335.db2.gz VHFNNBGRKNDPSP-CYBMUJFWSA-N -1 0 300.311 -0.887 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC001605626315 1018638765 /nfs/dbraw/zinc/63/87/65/1018638765.db2.gz ZZNBIYJYFNSISX-DTWKUNHWSA-N -1 0 310.372 -0.786 20 0 DBADRM NC(=O)C1(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CCC1 ZINC001605627082 1018638994 /nfs/dbraw/zinc/63/89/94/1018638994.db2.gz SPYJDZVJMITRQX-SECBINFHSA-N -1 0 311.338 -0.776 20 0 DBADRM CCOCCOC1CN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001605638256 1018639637 /nfs/dbraw/zinc/63/96/37/1018639637.db2.gz LWPRYDGYCSZCLX-UHFFFAOYSA-N -1 0 324.333 -0.190 20 0 DBADRM NC(=O)c1cc(CNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)on1 ZINC001605638507 1018640890 /nfs/dbraw/zinc/64/08/90/1018640890.db2.gz DVISEWVONHUQPT-SFYZADRCSA-N -1 0 311.294 -0.340 20 0 DBADRM CCON(C)C(=O)CNC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001605647152 1018642649 /nfs/dbraw/zinc/64/26/49/1018642649.db2.gz MXHGNMCQYIQIKJ-SECBINFHSA-N -1 0 319.383 -0.145 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)OCC(=O)C(=O)[O-])c(F)c1 ZINC001605650300 1018642846 /nfs/dbraw/zinc/64/28/46/1018642846.db2.gz ZNYZIVPCQCAMLB-UHFFFAOYSA-N -1 0 305.239 -0.716 20 0 DBADRM NS(=O)(=O)NC1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001605649692 1018643078 /nfs/dbraw/zinc/64/30/78/1018643078.db2.gz IIOPVERWLTUIPU-UHFFFAOYSA-N -1 0 305.356 -0.975 20 0 DBADRM CCON(C)C(=O)CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001605647536 1018643253 /nfs/dbraw/zinc/64/32/53/1018643253.db2.gz UOLIMBVEMMZJMY-UHFFFAOYSA-N -1 0 323.352 -0.471 20 0 DBADRM NC(=O)c1ncn(CC(=O)NC2(CC(=O)[O-])CCCCC2)n1 ZINC001605643276 1018643279 /nfs/dbraw/zinc/64/32/79/1018643279.db2.gz ZCOKYNIMVBBHMR-UHFFFAOYSA-N -1 0 309.326 -0.329 20 0 DBADRM CCON(C)C(=O)CNC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001605647154 1018643574 /nfs/dbraw/zinc/64/35/74/1018643574.db2.gz MXHGNMCQYIQIKJ-VIFPVBQESA-N -1 0 319.383 -0.145 20 0 DBADRM CCON(C)C(=O)CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001605647892 1018643622 /nfs/dbraw/zinc/64/36/22/1018643622.db2.gz ZYQZNEFPSTXDPO-VHSXEESVSA-N -1 0 302.327 -0.218 20 0 DBADRM Nc1nnn(CC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC001605660459 1018644672 /nfs/dbraw/zinc/64/46/72/1018644672.db2.gz ONPQABIOBNQOTQ-NXEZZACHSA-N -1 0 302.294 -0.315 20 0 DBADRM O=C(CN1CCCCS1(=O)=O)NCC1(C(=O)[O-])CCC1 ZINC001605689868 1018645323 /nfs/dbraw/zinc/64/53/23/1018645323.db2.gz YLFABDONWACIMD-UHFFFAOYSA-N -1 0 304.368 -0.217 20 0 DBADRM Nc1cccnc1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605655484 1018645588 /nfs/dbraw/zinc/64/55/88/1018645588.db2.gz PDOQNFSOSLNMMB-SNVBAGLBSA-N -1 0 306.322 -0.141 20 0 DBADRM Cc1cc(COC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n(C)n1 ZINC001605662905 1018646565 /nfs/dbraw/zinc/64/65/65/1018646565.db2.gz HWNZVXPKMAUWLM-QMMMGPOBSA-N -1 0 317.313 -0.195 20 0 DBADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC(O)(C(N)=O)C1 ZINC001605664700 1018647556 /nfs/dbraw/zinc/64/75/56/1018647556.db2.gz IVMCBRQZJZSYTK-UHFFFAOYSA-N -1 0 323.305 -0.153 20 0 DBADRM O=C([O-])C1(NC(=O)CNC(=O)c2ccncc2)CCOCC1 ZINC001605698845 1018648703 /nfs/dbraw/zinc/64/87/03/1018648703.db2.gz UEAXKNVARGEYEQ-UHFFFAOYSA-N -1 0 307.306 -0.439 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCC(=O)NCc2ccccc2)C1 ZINC001605696348 1018650062 /nfs/dbraw/zinc/65/00/62/1018650062.db2.gz NFHUQFZSTSAETM-LLVKDONJSA-N -1 0 305.290 -0.352 20 0 DBADRM CCOc1ccccc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001605715297 1018650359 /nfs/dbraw/zinc/65/03/59/1018650359.db2.gz ZYBZDAAPGNOBGJ-SECBINFHSA-N -1 0 310.306 -0.024 20 0 DBADRM CCOc1cnc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cn1 ZINC001605714453 1018650628 /nfs/dbraw/zinc/65/06/28/1018650628.db2.gz LGIVEYAZARWRSU-UHFFFAOYSA-N -1 0 318.293 -0.138 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC001605719186 1018650926 /nfs/dbraw/zinc/65/09/26/1018650926.db2.gz XRTXQDZMDVRHQU-MRVPVSSYSA-N -1 0 306.365 -0.310 20 0 DBADRM CCS(=O)(=O)NCC(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001605727726 1018651938 /nfs/dbraw/zinc/65/19/38/1018651938.db2.gz MUKWAYSEIJAYIC-UHFFFAOYSA-N -1 0 304.328 -0.846 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001605725857 1018652132 /nfs/dbraw/zinc/65/21/32/1018652132.db2.gz JSAUSEUQNMXYIM-NKWVEPMBSA-N -1 0 314.310 -0.365 20 0 DBADRM CCS(=O)(=O)CCn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC001605726818 1018652226 /nfs/dbraw/zinc/65/22/26/1018652226.db2.gz LRWYCGVGKPPPAY-UHFFFAOYSA-N -1 0 314.323 -0.888 20 0 DBADRM O=C([O-])C1(NC(=O)c2nc3ncc(CCO)cn3n2)CCCC1 ZINC001605736176 1018655449 /nfs/dbraw/zinc/65/54/49/1018655449.db2.gz VBSPHKFEZIOQJF-UHFFFAOYSA-N -1 0 319.321 -0.214 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)C1(C(=O)NC3CC3)CC1)C2 ZINC001605742739 1018655710 /nfs/dbraw/zinc/65/57/10/1018655710.db2.gz CYOXXLUIRLUJLO-VFZGTOFNSA-N -1 0 308.334 -0.395 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@H](CO)[C@H](O)c2cccnc2)cn1 ZINC001605729139 1018655877 /nfs/dbraw/zinc/65/58/77/1018655877.db2.gz IELZPVRUJZELLN-CHWSQXEVSA-N -1 0 317.301 -0.001 20 0 DBADRM CCc1[nH]c(C(=O)N(C)CCS(N)(=O)=O)c(C)c1C(=O)[O-] ZINC001605763059 1018657603 /nfs/dbraw/zinc/65/76/03/1018657603.db2.gz HESPMUXXNRPEEM-UHFFFAOYSA-N -1 0 317.367 -0.056 20 0 DBADRM CC[C@H]1C(=O)NCCCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605763430 1018659701 /nfs/dbraw/zinc/65/97/01/1018659701.db2.gz MPFZJTSBYZEBHX-AEJSXWLSSA-N -1 0 304.368 -0.220 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC001605750251 1018658631 /nfs/dbraw/zinc/65/86/31/1018658631.db2.gz FZTIFQOWRNGRPS-NEPJUHHUSA-N -1 0 322.317 -0.021 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(N)=O ZINC001605756892 1018658984 /nfs/dbraw/zinc/65/89/84/1018658984.db2.gz BQHBGOKBNJOUSQ-JBDRJPRFSA-N -1 0 316.358 -0.837 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@@H](O)[C@H]1CCCO1 ZINC001605750278 1018659107 /nfs/dbraw/zinc/65/91/07/1018659107.db2.gz FZTIFQOWRNGRPS-VXGBXAGGSA-N -1 0 322.317 -0.021 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2CCO)C1 ZINC001605749331 1018659292 /nfs/dbraw/zinc/65/92/92/1018659292.db2.gz JUHGJFDAOYZOAE-SDDRHHMPSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@H](O)[C@@H]1CCCO1 ZINC001605750276 1018659723 /nfs/dbraw/zinc/65/97/23/1018659723.db2.gz FZTIFQOWRNGRPS-RYUDHWBXSA-N -1 0 322.317 -0.021 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCC(F)(F)C2)CCOCC1 ZINC001605761135 1018659834 /nfs/dbraw/zinc/65/98/34/1018659834.db2.gz OMVJCIQLHXMNBS-UHFFFAOYSA-N -1 0 320.292 -0.148 20 0 DBADRM CCc1n[nH]cc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001605777153 1018660795 /nfs/dbraw/zinc/66/07/95/1018660795.db2.gz CLNXZPJXSDQBIL-NXEZZACHSA-N -1 0 320.349 -0.023 20 0 DBADRM O=C([O-])c1cncc(NC(=O)NCCN2C(=O)CNC2=O)c1 ZINC001605780261 1018662079 /nfs/dbraw/zinc/66/20/79/1018662079.db2.gz BZOBUXBDPPOICF-UHFFFAOYSA-N -1 0 307.266 -0.547 20 0 DBADRM CCc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n(C)n1 ZINC001605785243 1018662232 /nfs/dbraw/zinc/66/22/32/1018662232.db2.gz PZANZTRMAQHTKC-MNOVXSKESA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001605785310 1018662443 /nfs/dbraw/zinc/66/24/43/1018662443.db2.gz SWWDMPMNAFFTCJ-MNOVXSKESA-N -1 0 320.349 -0.024 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cl)o2)CCO1 ZINC001605800467 1018662683 /nfs/dbraw/zinc/66/26/83/1018662683.db2.gz URJOWWMFLPMHPU-QMMMGPOBSA-N -1 0 316.697 -0.139 20 0 DBADRM CCc1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)[nH]n1 ZINC001605785415 1018663555 /nfs/dbraw/zinc/66/35/55/1018663555.db2.gz ZONJLODMOLCNSC-MNOVXSKESA-N -1 0 320.349 -0.023 20 0 DBADRM CCc1ccncc1NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001605836091 1018664288 /nfs/dbraw/zinc/66/42/88/1018664288.db2.gz BIWBQBSIFPWYKY-GHMZBOCLSA-N -1 0 321.333 -0.124 20 0 DBADRM CCc1ccc(NC(=O)C(=O)NCC(=O)NC)c(C(=O)[O-])c1 ZINC001605818675 1018665998 /nfs/dbraw/zinc/66/59/98/1018665998.db2.gz ZQUYDPMZEWWFAY-UHFFFAOYSA-N -1 0 307.306 -0.252 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1 ZINC001605861600 1018666007 /nfs/dbraw/zinc/66/60/07/1018666007.db2.gz UPAMBMLGOKIOEA-JTQLQIEISA-N -1 0 322.321 -0.320 20 0 DBADRM CCc1ccc(CN(C)C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001605811764 1018666363 /nfs/dbraw/zinc/66/63/63/1018666363.db2.gz ANLPZABKNYDVET-UHFFFAOYSA-N -1 0 320.345 -0.135 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)C(=O)Nc1cnsn1 ZINC001605873917 1018668394 /nfs/dbraw/zinc/66/83/94/1018668394.db2.gz PQJNHUUGERJVLK-MRVPVSSYSA-N -1 0 321.318 -0.316 20 0 DBADRM CCc1nn(C)cc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001605866549 1018669331 /nfs/dbraw/zinc/66/93/31/1018669331.db2.gz MJWUWPKVMKEKDJ-JTQLQIEISA-N -1 0 315.351 -0.694 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cncc3nc[nH]c32)CC1 ZINC001605885583 1018669676 /nfs/dbraw/zinc/66/96/76/1018669676.db2.gz AUPSGQWIFWAHJS-UHFFFAOYSA-N -1 0 303.278 -0.673 20 0 DBADRM O=C([O-])[C@@H](C1CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001605900744 1018671949 /nfs/dbraw/zinc/67/19/49/1018671949.db2.gz QCSABKREUYBOQP-NWDGAFQWSA-N -1 0 302.396 -0.346 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21)C1CC1 ZINC001605893058 1018672148 /nfs/dbraw/zinc/67/21/48/1018672148.db2.gz LSYQWQUEJZLXRP-VWYCJHECSA-N -1 0 317.363 -0.488 20 0 DBADRM CCn1c([C@@H]2CCNC(=O)C2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001605908401 1018673152 /nfs/dbraw/zinc/67/31/52/1018673152.db2.gz WVGNYPHEOOXSEA-ZJUUUORDSA-N -1 0 323.353 -0.419 20 0 DBADRM CCn1cc(C(=O)C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)cn1 ZINC001605915560 1018674260 /nfs/dbraw/zinc/67/42/60/1018674260.db2.gz SFNZRKYBGHGKLL-ONGXEEELSA-N -1 0 309.322 -0.061 20 0 DBADRM CCn1cc(CC(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001605920314 1018674879 /nfs/dbraw/zinc/67/48/79/1018674879.db2.gz ISJWGXAQXNGHKN-NWDGAFQWSA-N -1 0 320.349 -0.507 20 0 DBADRM O=C([O-])C1(C(=O)N2CCn3nccc32)CCS(=O)(=O)CC1 ZINC001605917437 1018675018 /nfs/dbraw/zinc/67/50/18/1018675018.db2.gz PTPXDZASCSCVSS-UHFFFAOYSA-N -1 0 313.335 -0.491 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@]2(CO)COCCN2)CCSCC1 ZINC001605924008 1018675048 /nfs/dbraw/zinc/67/50/48/1018675048.db2.gz LMJWGGBTOPLOFG-GFCCVEGCSA-N -1 0 318.395 -0.949 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@H]2CCCCS2(=O)=O)CCOCC1 ZINC001605924161 1018675244 /nfs/dbraw/zinc/67/52/44/1018675244.db2.gz QPTDYEZNZSEHCO-JTQLQIEISA-N -1 0 319.379 -0.049 20 0 DBADRM CCn1cc(CC[S@@](=O)C[C@H](NC(C)=O)C(=O)[O-])cn1 ZINC001605920995 1018675558 /nfs/dbraw/zinc/67/55/58/1018675558.db2.gz RWCAYUYNPPTLLD-PRWKNARSSA-N -1 0 301.368 -0.217 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CCN3CCOC[C@]3(CO)C2)CC=CCC1 ZINC001605916190 1018675620 /nfs/dbraw/zinc/67/56/20/1018675620.db2.gz LJEIURMFDKCZSL-HZPDHXFCSA-N -1 0 324.377 -0.297 20 0 DBADRM CCn1cc(CNC(=O)c2cc(C(=O)[O-])ccn2)c(=O)[nH]c1=O ZINC001605922124 1018675628 /nfs/dbraw/zinc/67/56/28/1018675628.db2.gz KBRPVKZBKCNOST-UHFFFAOYSA-N -1 0 318.289 -0.008 20 0 DBADRM CCn1ccnc1C(=O)N(C)CCNc1ccnc(C(=O)[O-])n1 ZINC001605931668 1018676685 /nfs/dbraw/zinc/67/66/85/1018676685.db2.gz WMENKOTYRNGMJP-UHFFFAOYSA-N -1 0 318.337 -0.003 20 0 DBADRM O=C([O-])C1(C(=O)NCCC2(O)CCOCC2)CCOCC1 ZINC001605925328 1018676950 /nfs/dbraw/zinc/67/69/50/1018676950.db2.gz NHQBKUQHAUQQKL-UHFFFAOYSA-N -1 0 301.339 -0.084 20 0 DBADRM CCn1cnnc1CNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001605933922 1018676999 /nfs/dbraw/zinc/67/69/99/1018676999.db2.gz RZDTTZIFCVGPTR-UHFFFAOYSA-N -1 0 313.339 -0.187 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])nc1C ZINC001605924444 1018677469 /nfs/dbraw/zinc/67/74/69/1018677469.db2.gz FAQXHLCYIQWOQK-MWLCHTKSSA-N -1 0 317.367 -0.021 20 0 DBADRM CCn1ccnc1CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001605931233 1018677968 /nfs/dbraw/zinc/67/79/68/1018677968.db2.gz NAVWZBSSRAGCNS-UHFFFAOYSA-N -1 0 311.342 -0.317 20 0 DBADRM CCn1cc(S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-])nc1C ZINC001605925096 1018678206 /nfs/dbraw/zinc/67/82/06/1018678206.db2.gz SKGNCNPWDZNAIQ-VIFPVBQESA-N -1 0 305.356 -0.286 20 0 DBADRM CCn1ncnc1CNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001605945018 1018679082 /nfs/dbraw/zinc/67/90/82/1018679082.db2.gz CUJJFLNCANQCAY-UHFFFAOYSA-N -1 0 302.356 -0.028 20 0 DBADRM CCn1ncnc1CN1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001605945959 1018679343 /nfs/dbraw/zinc/67/93/43/1018679343.db2.gz TYMYVEOEHJHICW-RKDXNWHRSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001605947182 1018679720 /nfs/dbraw/zinc/67/97/20/1018679720.db2.gz YSJYYUZIEUTXFK-PSASIEDQSA-N -1 0 309.326 -0.764 20 0 DBADRM CCn1nccc1CN(CCO)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001605945448 1018679908 /nfs/dbraw/zinc/67/99/08/1018679908.db2.gz PDJSCPNDAWRHOG-SNVBAGLBSA-N -1 0 319.383 -0.252 20 0 DBADRM CCn1ncc(C)c1NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001605941119 1018680592 /nfs/dbraw/zinc/68/05/92/1018680592.db2.gz NXJJQPXGBKXKHR-UWVGGRQHSA-N -1 0 324.337 -0.556 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@@H](CCCO)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605952571 1018681570 /nfs/dbraw/zinc/68/15/70/1018681570.db2.gz YLQWXELTABDALW-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM Cc1ccn(CN(C)[C@H]2C[C@@H](C(N)=O)C2)c(=O)c1-c1nnn[n-]1 ZINC001605949547 1018683167 /nfs/dbraw/zinc/68/31/67/1018683167.db2.gz QXXXKFAGRZSBMR-AOOOYVTPSA-N -1 0 317.353 -0.510 20 0 DBADRM CN(C(=O)CN1C(=O)CNC1=O)[C@H](C(=O)[O-])c1ccccc1 ZINC001605961231 1018684891 /nfs/dbraw/zinc/68/48/91/1018684891.db2.gz WNSRLCBBKXGQTF-LBPRGKRZSA-N -1 0 305.290 -0.178 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)C1 ZINC001605967086 1018685112 /nfs/dbraw/zinc/68/51/12/1018685112.db2.gz FOUZATWHKHIQDO-VHSXEESVSA-N -1 0 316.335 -0.749 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCC(N3CCNC3=O)CC2)C1 ZINC001605964229 1018685526 /nfs/dbraw/zinc/68/55/26/1018685526.db2.gz XMWJNQFIUNBRNV-JTQLQIEISA-N -1 0 310.310 -0.768 20 0 DBADRM CN(C(=O)Cn1c(=O)ccn(C)c1=O)c1ccccc1C(=O)[O-] ZINC001605966494 1018685855 /nfs/dbraw/zinc/68/58/55/1018685855.db2.gz PWTCCDZVXGFWFT-UHFFFAOYSA-N -1 0 317.301 -0.092 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NC[C@H](CO)Cc2cccnc2)C1 ZINC001605967593 1018686085 /nfs/dbraw/zinc/68/60/85/1018686085.db2.gz JTUOTWXVOOHFAZ-ZYHUDNBSSA-N -1 0 307.306 -0.422 20 0 DBADRM CN(C)C(=O)C1(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001605990965 1018686867 /nfs/dbraw/zinc/68/68/67/1018686867.db2.gz CMICDUGFBYWHDU-VIFPVBQESA-N -1 0 321.337 -0.382 20 0 DBADRM CN(C(=O)c1cnon1)C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001605988592 1018687363 /nfs/dbraw/zinc/68/73/63/1018687363.db2.gz JWDZQFOZCJXPFP-NXEZZACHSA-N -1 0 322.321 -0.147 20 0 DBADRM CN(C(=O)c1cnc[nH]c1=O)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001605977834 1018687625 /nfs/dbraw/zinc/68/76/25/1018687625.db2.gz UQBULQZPPLXRPV-DTWKUNHWSA-N -1 0 320.305 -0.814 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)C1 ZINC001605977957 1018687852 /nfs/dbraw/zinc/68/78/52/1018687852.db2.gz ORNXAZWJUZAIQI-OUAUKWLOSA-N -1 0 316.379 -0.472 20 0 DBADRM Cc1cnc(NC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)o1 ZINC001605980704 1018688023 /nfs/dbraw/zinc/68/80/23/1018688023.db2.gz QFNDOAOXHDYPNN-UHFFFAOYSA-N -1 0 318.253 -0.936 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001605974762 1018688631 /nfs/dbraw/zinc/68/86/31/1018688631.db2.gz WDDLXKCDBJFJBU-PQFRYHKHSA-N -1 0 322.361 -0.197 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001605974146 1018689271 /nfs/dbraw/zinc/68/92/71/1018689271.db2.gz LMAMWKOJTQZMTF-SNVBAGLBSA-N -1 0 320.349 -0.124 20 0 DBADRM CN(C)C(=O)CCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001605997128 1018690297 /nfs/dbraw/zinc/69/02/97/1018690297.db2.gz TVIWXGXMMGFNPG-IINYFYTJSA-N -1 0 313.354 -0.403 20 0 DBADRM CN(C)C(=O)/C=C/C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001605993307 1018690607 /nfs/dbraw/zinc/69/06/07/1018690607.db2.gz GNUQFXFXHBQVSE-MOVJSRMASA-N -1 0 300.311 -0.647 20 0 DBADRM CN(C)C(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001605995151 1018690677 /nfs/dbraw/zinc/69/06/77/1018690677.db2.gz UFBSFTNTSAYZSB-SSDOTTSWSA-N -1 0 317.323 -0.528 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)nn1 ZINC001606000403 1018691041 /nfs/dbraw/zinc/69/10/41/1018691041.db2.gz PQKRFHNJHBQRTQ-ZJUUUORDSA-N -1 0 323.353 -0.261 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)NOCCCC(=O)[O-])n1 ZINC001606000008 1018691463 /nfs/dbraw/zinc/69/14/63/1018691463.db2.gz CNNWQGNGQWCENT-UHFFFAOYSA-N -1 0 313.314 -0.111 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC001605999903 1018691773 /nfs/dbraw/zinc/69/17/73/1018691773.db2.gz GDDFSEPCGMVSGW-MWLCHTKSSA-N -1 0 323.349 -0.811 20 0 DBADRM O=C([O-])[C@H]1CCCN1Cc1cn(CC2(O)CCOCC2)nn1 ZINC001605998019 1018691974 /nfs/dbraw/zinc/69/19/74/1018691974.db2.gz JESVVMFMMMCLMU-GFCCVEGCSA-N -1 0 310.354 -0.131 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC001606004352 1018693500 /nfs/dbraw/zinc/69/35/00/1018693500.db2.gz MYBKEWJLUUUUJK-DTWKUNHWSA-N -1 0 309.326 -0.194 20 0 DBADRM CN(C)C1(CS(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])CC1 ZINC001606012743 1018693589 /nfs/dbraw/zinc/69/35/89/1018693589.db2.gz MNGGLRATGJSBDQ-JTQLQIEISA-N -1 0 306.384 -0.414 20 0 DBADRM CN(C)C(=O)O[C@H]1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001606003205 1018694348 /nfs/dbraw/zinc/69/43/48/1018694348.db2.gz VXHBZUNEAGQQQI-VIFPVBQESA-N -1 0 310.310 -0.120 20 0 DBADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001606004298 1018694556 /nfs/dbraw/zinc/69/45/56/1018694556.db2.gz LGKIRZDBSYHUPB-JTQLQIEISA-N -1 0 323.353 -0.157 20 0 DBADRM CN(C)C(=O)OCCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606002230 1018694572 /nfs/dbraw/zinc/69/45/72/1018694572.db2.gz BRUNDJPQNGVEKI-UHFFFAOYSA-N -1 0 306.300 -0.916 20 0 DBADRM CN(C)C(=O)N1CCN([C@H]2CCN(CCC(=O)[O-])C2=O)CC1 ZINC001606003703 1018694801 /nfs/dbraw/zinc/69/48/01/1018694801.db2.gz CLJDSJGZTTZRGB-NSHDSACASA-N -1 0 312.370 -0.639 20 0 DBADRM CN(C)[C@H](C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)c1cncn1C ZINC001606008485 1018694932 /nfs/dbraw/zinc/69/49/32/1018694932.db2.gz ZEJANVUEXSQTQP-FOGDFJRCSA-N -1 0 310.354 -0.683 20 0 DBADRM Cc1n[nH]c(C)c1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001606009475 1018695097 /nfs/dbraw/zinc/69/50/97/1018695097.db2.gz KATLYVFYGSIGSY-UHFFFAOYSA-N -1 0 302.302 -0.885 20 0 DBADRM Cc1nc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c(C)s1 ZINC001606029678 1018702155 /nfs/dbraw/zinc/70/21/55/1018702155.db2.gz QAULIECZOIMOQM-UHFFFAOYSA-N -1 0 319.354 -0.038 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001606038011 1018703052 /nfs/dbraw/zinc/70/30/52/1018703052.db2.gz SOOVVGVCVZFNOU-LLVKDONJSA-N -1 0 308.356 -0.982 20 0 DBADRM O=C([O-])[C@H]1CCN(c2nnnn2CCC[C@@H]2CCOC2=O)C1 ZINC001606030178 1018703715 /nfs/dbraw/zinc/70/37/15/1018703715.db2.gz CAXNIPJEUDNZBO-ZJUUUORDSA-N -1 0 309.326 -0.073 20 0 DBADRM CN(C)S(=O)(=O)CCCOC(=O)c1cnc(C(=O)[O-])cn1 ZINC001606038036 1018704175 /nfs/dbraw/zinc/70/41/75/1018704175.db2.gz TYFIQAAGIJOPRB-UHFFFAOYSA-N -1 0 317.323 -0.387 20 0 DBADRM CN(C)Cc1cc(C(=O)NCCC(=O)NCCC(=O)[O-])no1 ZINC001606033404 1018704257 /nfs/dbraw/zinc/70/42/57/1018704257.db2.gz QALCHSSLEDFTCU-UHFFFAOYSA-N -1 0 312.326 -0.553 20 0 DBADRM CN(C)S(=O)(=O)N[C@H](CNC(=O)CC(=O)[O-])C1CCCC1 ZINC001606038562 1018704512 /nfs/dbraw/zinc/70/45/12/1018704512.db2.gz CQAUXVJJGSZPAI-SNVBAGLBSA-N -1 0 321.399 -0.468 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(Cc2cc(C(=O)[O-])no2)c1 ZINC001606044877 1018704843 /nfs/dbraw/zinc/70/48/43/1018704843.db2.gz DHNNUGUBVLDUTE-UHFFFAOYSA-N -1 0 300.296 -0.132 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2CCc2ccns2)CCO1 ZINC001606048731 1018704860 /nfs/dbraw/zinc/70/48/60/1018704860.db2.gz KNWDFHLPXKOSKP-VIFPVBQESA-N -1 0 310.339 -0.338 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)Cn1c(=O)cccc1C(=O)[O-] ZINC001606045618 1018705554 /nfs/dbraw/zinc/70/55/54/1018705554.db2.gz PTQMGLIKLKISBG-FQEVSTJZSA-N -1 0 301.324 -0.353 20 0 DBADRM CN(C)S(=O)(=O)N1CC(Nc2nccnc2C(=O)[O-])C1 ZINC001606039425 1018705725 /nfs/dbraw/zinc/70/57/25/1018705725.db2.gz RSRZHRUJQDMSSZ-UHFFFAOYSA-N -1 0 301.328 -0.923 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001606039342 1018706088 /nfs/dbraw/zinc/70/60/88/1018706088.db2.gz PQMWSBUTORNALJ-JTQLQIEISA-N -1 0 321.399 -0.658 20 0 DBADRM CN(C)c1cc(NC(=O)NCCC(=O)NCCC(=O)[O-])ncn1 ZINC001606051570 1018706125 /nfs/dbraw/zinc/70/61/25/1018706125.db2.gz GMWYOSGUFIMZHI-UHFFFAOYSA-N -1 0 324.341 -0.355 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CCO1 ZINC001606048696 1018706533 /nfs/dbraw/zinc/70/65/33/1018706533.db2.gz HKNUHSBRMQRDFU-WHOHXGKFSA-N -1 0 321.337 -0.446 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)Cn1nc(C(=O)[O-])nc1Cl ZINC001606044872 1018706677 /nfs/dbraw/zinc/70/66/77/1018706677.db2.gz DCNIQKJPRQFCQN-IBGZPJMESA-N -1 0 309.735 -0.269 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CCO1 ZINC001606048695 1018707033 /nfs/dbraw/zinc/70/70/33/1018707033.db2.gz HKNUHSBRMQRDFU-USZNOCQGSA-N -1 0 321.337 -0.446 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cncc(O)c1 ZINC001606056964 1018707790 /nfs/dbraw/zinc/70/77/90/1018707790.db2.gz HRPYZXQRYGOHFX-SECBINFHSA-N -1 0 300.292 -0.889 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CC[S@](=O)C(F)(F)F ZINC001606056831 1018708099 /nfs/dbraw/zinc/70/80/99/1018708099.db2.gz AVEWGMWJLNTOQW-DMWPKQFHSA-N -1 0 323.314 -0.562 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@H](O)CCC1(O)CCC1 ZINC001606056981 1018709021 /nfs/dbraw/zinc/70/90/21/1018709021.db2.gz IYYNQAQRFIKYIY-MNOVXSKESA-N -1 0 321.395 -0.774 20 0 DBADRM CN(C1(CO)CCCC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001606072704 1018710402 /nfs/dbraw/zinc/71/04/02/1018710402.db2.gz SSANUSMVNWPENL-UHFFFAOYSA-N -1 0 317.367 -0.107 20 0 DBADRM CN(C)c1nc(N)nc(CN[C@H](C(=O)[O-])c2ccnn2C)n1 ZINC001606078439 1018711125 /nfs/dbraw/zinc/71/11/25/1018711125.db2.gz BMCAPJMUPCHEBD-VIFPVBQESA-N -1 0 306.330 -0.831 20 0 DBADRM CN(CC(=O)N[C@H](CC1CC1)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001606079473 1018711571 /nfs/dbraw/zinc/71/15/71/1018711571.db2.gz KIZOANVPUUGKLG-WDEREUQCSA-N -1 0 318.395 -0.525 20 0 DBADRM O=C([O-])CC1(C(=O)N2CC[C@@H](O)[C@H](CO)C2)CCOCC1 ZINC001606070575 1018712522 /nfs/dbraw/zinc/71/25/22/1018712522.db2.gz JNHVPUJWFUJIGV-WDEREUQCSA-N -1 0 301.339 -0.540 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001606077174 1018712556 /nfs/dbraw/zinc/71/25/56/1018712556.db2.gz STHDSXCLOJJVMB-VHSXEESVSA-N -1 0 308.356 -0.826 20 0 DBADRM O=C([O-])CC1(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)CCOCC1 ZINC001606070566 1018712652 /nfs/dbraw/zinc/71/26/52/1018712652.db2.gz JNHVPUJWFUJIGV-GHMZBOCLSA-N -1 0 301.339 -0.540 20 0 DBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H](C(=O)[O-])C1CC1 ZINC001606080387 1018713300 /nfs/dbraw/zinc/71/33/00/1018713300.db2.gz AYQJZGGGEGXOCO-KOLCDFICSA-N -1 0 304.368 -0.915 20 0 DBADRM CN(CC(=O)NC(C)(C)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001606079861 1018714335 /nfs/dbraw/zinc/71/43/35/1018714335.db2.gz ODOSFGQUZALXHP-SECBINFHSA-N -1 0 306.384 -0.525 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2CCC(CO)CC2)C1 ZINC001606091020 1018714807 /nfs/dbraw/zinc/71/48/07/1018714807.db2.gz WFFBLFCZCRUBEE-GFCCVEGCSA-N -1 0 312.366 -0.069 20 0 DBADRM CN(CC(=O)[O-])C(=O)c1nc(S(N)(=O)=O)c2ccccn21 ZINC001606087664 1018715146 /nfs/dbraw/zinc/71/51/46/1018715146.db2.gz AKDFTBPRAICXML-UHFFFAOYSA-N -1 0 312.307 -0.862 20 0 DBADRM O=C([O-])CCC(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 ZINC001606097620 1018716537 /nfs/dbraw/zinc/71/65/37/1018716537.db2.gz HRWXIGRPZWJGSY-NSHDSACASA-N -1 0 318.395 -0.427 20 0 DBADRM CN(C[C@@H](O)CN1CCOC[C@@H]1C(=O)[O-])CC(F)(F)F ZINC001606095706 1018717063 /nfs/dbraw/zinc/71/70/63/1018717063.db2.gz ONZZEXIYBHXBRZ-RKDXNWHRSA-N -1 0 300.277 -0.373 20 0 DBADRM CN(CC(N)=O)C(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001606093784 1018718197 /nfs/dbraw/zinc/71/81/97/1018718197.db2.gz HYQNFBBLNBPSEM-QMMMGPOBSA-N -1 0 317.342 -0.312 20 0 DBADRM CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001606180986 1018718593 /nfs/dbraw/zinc/71/85/93/1018718593.db2.gz TUHDUTJDQAUFDE-DVVUODLYSA-N -1 0 316.379 -0.126 20 0 DBADRM CN1C(=O)CC[C@H](NS(=O)(=O)CC2(C(=O)[O-])CCC2)C1=O ZINC001606185422 1018718609 /nfs/dbraw/zinc/71/86/09/1018718609.db2.gz SUNTXULCPAHOMN-QMMMGPOBSA-N -1 0 318.351 -0.692 20 0 DBADRM CN(C[C@H](O)CN(C)c1ccnc(C(=O)[O-])n1)C(=O)C1CC1 ZINC001606094134 1018719009 /nfs/dbraw/zinc/71/90/09/1018719009.db2.gz QKZPUEQINLCCGX-SNVBAGLBSA-N -1 0 308.338 -0.160 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)[C@H](C(=O)[O-])c1cccnc1 ZINC001606094597 1018719085 /nfs/dbraw/zinc/71/90/85/1018719085.db2.gz CZQSNNAFFCEAMB-KGLIPLIRSA-N -1 0 309.366 -0.168 20 0 DBADRM CN(Cc1nnc2n1CCNC2=O)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001606178713 1018719152 /nfs/dbraw/zinc/71/91/52/1018719152.db2.gz NHIPRZHCNAOTRO-DTWKUNHWSA-N -1 0 321.337 -0.519 20 0 DBADRM CN(c1ccnc(C(N)=O)c1)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001606183727 1018719663 /nfs/dbraw/zinc/71/96/63/1018719663.db2.gz KKAPOWYSHDBEEN-UHFFFAOYSA-N -1 0 313.335 -0.046 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)OCCCc1cn(CC(=O)[O-])nn1 ZINC001606185644 1018720121 /nfs/dbraw/zinc/72/01/21/1018720121.db2.gz XQCNSDRMAJXBPK-JTQLQIEISA-N -1 0 310.310 -0.541 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NCC(=O)NCC(F)F)CO1 ZINC001606108390 1018720276 /nfs/dbraw/zinc/72/02/76/1018720276.db2.gz UCSJITJONJYFIP-JGVFFNPUSA-N -1 0 308.281 -0.246 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)N2CCN(c3nc[nH]n3)CC2)CO1 ZINC001606108578 1018720344 /nfs/dbraw/zinc/72/03/44/1018720344.db2.gz XGIFUDIIJWTUEK-MNOVXSKESA-N -1 0 323.353 -0.277 20 0 DBADRM Cc1ncncc1COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001606103006 1018720987 /nfs/dbraw/zinc/72/09/87/1018720987.db2.gz RGKVFYVTWFJTMD-QMMMGPOBSA-N -1 0 315.297 -0.139 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCc1ccc(OC(F)F)cn1 ZINC001606190237 1018721413 /nfs/dbraw/zinc/72/14/13/1018721413.db2.gz FSVUIHIYBHEHAO-UHFFFAOYSA-N -1 0 317.248 -0.110 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CC1)COCCO2 ZINC001606105170 1018721683 /nfs/dbraw/zinc/72/16/83/1018721683.db2.gz CKSBKMVWZDWYMP-UHFFFAOYSA-N -1 0 322.383 -0.481 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@H](c2ncccn2)C1 ZINC001606105447 1018721720 /nfs/dbraw/zinc/72/17/20/1018721720.db2.gz KKLZVMBEBQJZJD-JTQLQIEISA-N -1 0 314.367 -0.083 20 0 DBADRM CN1C(=O)c2ccc(C(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])cc2C1=O ZINC001606194849 1018721769 /nfs/dbraw/zinc/72/17/69/1018721769.db2.gz XOMHDHYJTNJDOP-LDYMZIIASA-N -1 0 318.285 -0.428 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@@H](N2CCOC2=O)C1 ZINC001606104788 1018722444 /nfs/dbraw/zinc/72/24/44/1018722444.db2.gz PCGACMCFVKJTCZ-SECBINFHSA-N -1 0 321.355 -0.836 20 0 DBADRM O=C([O-])CCNC(=O)NCC1(N2CCOCC2)CCOCC1 ZINC001606195425 1018722292 /nfs/dbraw/zinc/72/22/92/1018722292.db2.gz KGWJMUCVPAEZRK-UHFFFAOYSA-N -1 0 315.370 -0.358 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])[C@@H]1c1cccnc1 ZINC001606191147 1018722456 /nfs/dbraw/zinc/72/24/56/1018722456.db2.gz FVXARYQRABRSFA-IFUGULHKSA-N -1 0 321.333 -0.447 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC001606190362 1018722570 /nfs/dbraw/zinc/72/25/70/1018722570.db2.gz RZDUDKHMNXOXTI-QWRGUYRKSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC001606190371 1018722619 /nfs/dbraw/zinc/72/26/19/1018722619.db2.gz SOYSYHXTTUOBPK-UWVGGRQHSA-N -1 0 311.338 -0.906 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001606197181 1018722641 /nfs/dbraw/zinc/72/26/41/1018722641.db2.gz RBVGPNXWONFUHC-VIFPVBQESA-N -1 0 322.325 -0.931 20 0 DBADRM CN1C[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])NCC1=O ZINC001606197287 1018723332 /nfs/dbraw/zinc/72/33/32/1018723332.db2.gz BXXWJZDCSFMXSR-VXGBXAGGSA-N -1 0 305.334 -0.771 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001606191781 1018723349 /nfs/dbraw/zinc/72/33/49/1018723349.db2.gz PPOSKVMEPBUONR-WDZFZDKYSA-N -1 0 315.351 -0.870 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC001606190370 1018723614 /nfs/dbraw/zinc/72/36/14/1018723614.db2.gz SOYSYHXTTUOBPK-NXEZZACHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC1CCN(c2ccccn2)CC1 ZINC001606190332 1018724379 /nfs/dbraw/zinc/72/43/79/1018724379.db2.gz QKUPTVFNRJAWQL-UHFFFAOYSA-N -1 0 320.349 -0.243 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001606117236 1018724533 /nfs/dbraw/zinc/72/45/33/1018724533.db2.gz PFOKRIAYLJOQML-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM CN1C(=O)CN(NS(=O)(=O)C2CCC(C(=O)[O-])CC2)C1=O ZINC001606189625 1018724451 /nfs/dbraw/zinc/72/44/51/1018724451.db2.gz PAYVDTIWJIRHJX-UHFFFAOYSA-N -1 0 319.339 -0.642 20 0 DBADRM CN1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])NCC1=O ZINC001606197284 1018724594 /nfs/dbraw/zinc/72/45/94/1018724594.db2.gz BXXWJZDCSFMXSR-NEPJUHHUSA-N -1 0 305.334 -0.771 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cnc3nccn3c2)CC1=O ZINC001606199731 1018725403 /nfs/dbraw/zinc/72/54/03/1018725403.db2.gz IQMYKHJXCPHFBQ-SECBINFHSA-N -1 0 303.278 -0.903 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)NCc2cc(=O)[nH]c(=O)[nH]2)CO1 ZINC001606112045 1018725387 /nfs/dbraw/zinc/72/53/87/1018725387.db2.gz SCAXOVJZJLQONJ-CBAPKCEASA-N -1 0 311.294 -0.226 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)C2(C)COC(C)(C)OC2)CC1=O ZINC001606198171 1018725998 /nfs/dbraw/zinc/72/59/98/1018725998.db2.gz RPKJZMAUBUGLLF-SECBINFHSA-N -1 0 314.338 -0.471 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)Cc2ccc3c(c2)CCO3)CC1=O ZINC001606199504 1018726306 /nfs/dbraw/zinc/72/63/06/1018726306.db2.gz GTAGKTGSMZUGBM-LBPRGKRZSA-N -1 0 318.329 -0.082 20 0 DBADRM Cn1nc2ccccc2c1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001606198907 1018726823 /nfs/dbraw/zinc/72/68/23/1018726823.db2.gz BAMCFHFWICNIIE-LLVKDONJSA-N -1 0 316.317 -0.059 20 0 DBADRM CN(CCC(N)=O)C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001606111116 1018726790 /nfs/dbraw/zinc/72/67/90/1018726790.db2.gz MALRNIYBGBHDKG-XIRUVYRFSA-N -1 0 313.354 -0.084 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)/C=C\c2cncc(O)c2)CC1=O ZINC001606197622 1018727006 /nfs/dbraw/zinc/72/70/06/1018727006.db2.gz HXIGBUJPEFSWOW-QUCGXOGASA-N -1 0 305.290 -0.446 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)NCCN2CCNC2=S)CO1 ZINC001606111669 1018728479 /nfs/dbraw/zinc/72/84/79/1018728479.db2.gz MIPCBRHQTXTIFY-UWVGGRQHSA-N -1 0 315.395 -0.437 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cscn2)CC1=O ZINC001606203761 1018728243 /nfs/dbraw/zinc/72/82/43/1018728243.db2.gz NKQQBQIISKYMHQ-LURJTMIESA-N -1 0 305.337 -0.941 20 0 DBADRM CN1C[C@@H](OC(=O)Cn2cccc(C(=O)[O-])c2=O)CCC1=O ZINC001606204612 1018728570 /nfs/dbraw/zinc/72/85/70/1018728570.db2.gz HFBPBXRERBRURB-VIFPVBQESA-N -1 0 308.290 -0.290 20 0 DBADRM CN(CCCNC(=O)[C@@H]1COCCO1)c1ccnc(C(=O)[O-])n1 ZINC001606122039 1018729947 /nfs/dbraw/zinc/72/99/47/1018729947.db2.gz GATBDMMUWBXMCJ-JTQLQIEISA-N -1 0 324.337 -0.467 20 0 DBADRM Cc1noc([C@@H](C)N(C)C(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC001606127878 1018731054 /nfs/dbraw/zinc/73/10/54/1018731054.db2.gz HKZZKDLGDBRTHQ-ZCFIWIBFSA-N -1 0 318.301 -0.631 20 0 DBADRM CN1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C(C)(C)C1 ZINC001606203018 1018731607 /nfs/dbraw/zinc/73/16/07/1018731607.db2.gz OYQLUHLENFKBSR-QMMMGPOBSA-N -1 0 302.356 -0.274 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1cn(C)nn1 ZINC001606121634 1018731765 /nfs/dbraw/zinc/73/17/65/1018731765.db2.gz ZTTUYCJBWQQZMH-UWVGGRQHSA-N -1 0 323.353 -0.544 20 0 DBADRM CN(CCNC(=O)CO[C@@H]1CCOC1)c1ccnc(C(=O)[O-])n1 ZINC001606129507 1018732086 /nfs/dbraw/zinc/73/20/86/1018732086.db2.gz LBCANIFDIWHCRT-SNVBAGLBSA-N -1 0 324.337 -0.467 20 0 DBADRM CN(CCCO)C(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001606122825 1018732112 /nfs/dbraw/zinc/73/21/12/1018732112.db2.gz YFRYRGGWBUVRKA-GFCCVEGCSA-N -1 0 322.317 -0.294 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)CS(C)(=O)=O ZINC001606133344 1018735318 /nfs/dbraw/zinc/73/53/18/1018735318.db2.gz RMCFHMFMRDVXFJ-UHFFFAOYSA-N -1 0 316.339 -0.910 20 0 DBADRM CN1CC2(CN(S(=O)(=O)CC3(CC(=O)[O-])CC3)C2)OC1=O ZINC001606209193 1018735281 /nfs/dbraw/zinc/73/52/81/1018735281.db2.gz QRIYRIMVXSHWFV-UHFFFAOYSA-N -1 0 318.351 -0.293 20 0 DBADRM CN1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001606207467 1018735439 /nfs/dbraw/zinc/73/54/39/1018735439.db2.gz FWOMQCCRTXVJSF-TXEJJXNPSA-N -1 0 317.411 -0.194 20 0 DBADRM Cn1c2ccccc2nc(Cn2cnc(-c3nnn[n-]3)n2)c1=O ZINC001606207675 1018736982 /nfs/dbraw/zinc/73/69/82/1018736982.db2.gz XZQFXTSSUGTNGV-UHFFFAOYSA-N -1 0 309.293 -0.247 20 0 DBADRM Cn1c(=O)[nH]c(NCC2=CCCOC2)c(-c2nnn[n-]2)c1=O ZINC001606206058 1018737397 /nfs/dbraw/zinc/73/73/97/1018737397.db2.gz PJULJHXNSPHPMM-UHFFFAOYSA-N -1 0 305.298 -0.575 20 0 DBADRM O=C([O-])CN(C(=O)[C@H]1CCCS(=O)(=O)C1)C1CCOCC1 ZINC001606216230 1018741376 /nfs/dbraw/zinc/74/13/76/1018741376.db2.gz PBQOWLYFUWANDJ-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM CN(CCn1cccn1)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606141967 1018741725 /nfs/dbraw/zinc/74/17/25/1018741725.db2.gz YLRRIAXNEQGHCX-NSHDSACASA-N -1 0 308.338 -0.335 20 0 DBADRM CN1CC[C@](Cc2ccccc2)(C(=O)N[C@H](CO)C(=O)[O-])C1=O ZINC001606212225 1018741721 /nfs/dbraw/zinc/74/17/21/1018741721.db2.gz FPIUNEBCQDODFH-WBMJQRKESA-N -1 0 320.345 -0.361 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cn1)S(=O)(=O)c1cnnn1C ZINC001606155683 1018742281 /nfs/dbraw/zinc/74/22/81/1018742281.db2.gz XHNILWKJACXMPW-UHFFFAOYSA-N -1 0 311.323 -0.271 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCC[C@H]1C1OCCO1 ZINC001606160241 1018743139 /nfs/dbraw/zinc/74/31/39/1018743139.db2.gz ZMWVDZCBAXITBW-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CC[C@H](n2cncn2)C1 ZINC001606160156 1018744237 /nfs/dbraw/zinc/74/42/37/1018744237.db2.gz SUFQUKNQYYOBCE-JTQLQIEISA-N -1 0 309.326 -0.577 20 0 DBADRM O=C([O-])CCCCNC(=O)NC[C@@]1(OCCO)CCOC1 ZINC001606164492 1018744481 /nfs/dbraw/zinc/74/44/81/1018744481.db2.gz BEAGIJOCJFOTSF-ZDUSSCGKSA-N -1 0 304.343 -0.292 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CC[C@H]2COC(C)(C)O2)c1=O ZINC001606221764 1018745359 /nfs/dbraw/zinc/74/53/59/1018745359.db2.gz OJTYFCTYJBPVKD-QMMMGPOBSA-N -1 0 322.325 -0.731 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)CN1CCC(O)(C(=O)[O-])CC1 ZINC001606174471 1018746258 /nfs/dbraw/zinc/74/62/58/1018746258.db2.gz QNLBPYLDPIDVCM-UHFFFAOYSA-N -1 0 310.354 -0.710 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CCCOC(F)(F)F)c1=O ZINC001606221950 1018746530 /nfs/dbraw/zinc/74/65/30/1018746530.db2.gz SNYVUYDSNXKYAY-UHFFFAOYSA-N -1 0 320.231 -0.346 20 0 DBADRM CN1CCN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@@H](C(=O)[O-])C1 ZINC001606228341 1018750261 /nfs/dbraw/zinc/75/02/61/1018750261.db2.gz GQOWENAWHXBFNI-JTQLQIEISA-N -1 0 318.395 -0.572 20 0 DBADRM CN1CCC[C@H](C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1=O ZINC001606223181 1018752768 /nfs/dbraw/zinc/75/27/68/1018752768.db2.gz NKOZFKYPXTXALA-ZIBATOQPSA-N -1 0 310.350 -0.196 20 0 DBADRM CN1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])nc2)C1=O ZINC001606225749 1018753405 /nfs/dbraw/zinc/75/34/05/1018753405.db2.gz AZFUGVGSPMVHNN-SECBINFHSA-N -1 0 313.335 -0.321 20 0 DBADRM CN1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])nc2)C1=O ZINC001606225750 1018753817 /nfs/dbraw/zinc/75/38/17/1018753817.db2.gz AZFUGVGSPMVHNN-VIFPVBQESA-N -1 0 313.335 -0.321 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)CCC1=O ZINC001606228206 1018754915 /nfs/dbraw/zinc/75/49/15/1018754915.db2.gz CFLVJQMXTAJIHH-UHFFFAOYSA-N -1 0 320.305 -0.591 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)C1=O ZINC001606231012 1018756279 /nfs/dbraw/zinc/75/62/79/1018756279.db2.gz BEMXKSOSPVAQPY-SCZZXKLOSA-N -1 0 322.321 -0.637 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCN(CC(F)(F)F)CC2)C1=O ZINC001606232138 1018759857 /nfs/dbraw/zinc/75/98/57/1018759857.db2.gz QDFJOORJAXPBKN-SECBINFHSA-N -1 0 309.288 -0.148 20 0 DBADRM O=C([O-])CN1CC[C@H](N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC001606232434 1018761354 /nfs/dbraw/zinc/76/13/54/1018761354.db2.gz VJNQRPGFLBRMBQ-QWRGUYRKSA-N -1 0 316.379 -0.677 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001606232906 1018766567 /nfs/dbraw/zinc/76/65/67/1018766567.db2.gz DMDIXZWCJLAUCJ-UHFFFAOYSA-N -1 0 308.338 -0.441 20 0 DBADRM CN1CCN(CC(=O)N[C@@H](CC(=O)[O-])c2ccncc2)CC1=O ZINC001606239898 1018768290 /nfs/dbraw/zinc/76/82/90/1018768290.db2.gz ZRPZBFCYCQHTEF-LBPRGKRZSA-N -1 0 320.349 -0.512 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001606249162 1018776722 /nfs/dbraw/zinc/77/67/22/1018776722.db2.gz GYDOHKKWQKOCKM-NSHDSACASA-N -1 0 306.384 -0.557 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001606249160 1018776878 /nfs/dbraw/zinc/77/68/78/1018776878.db2.gz GYDOHKKWQKOCKM-LLVKDONJSA-N -1 0 306.384 -0.557 20 0 DBADRM CN1CCOC[C@@H]1CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001606248956 1018776974 /nfs/dbraw/zinc/77/69/74/1018776974.db2.gz DZEKUDDRCLYAIE-ZETCQYMHSA-N -1 0 321.380 -0.550 20 0 DBADRM CN1CCO[C@H](C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])C1 ZINC001606249173 1018777061 /nfs/dbraw/zinc/77/70/61/1018777061.db2.gz GZNZORYDJYIFSX-OLZOCXBDSA-N -1 0 308.334 -0.035 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)C1=O ZINC001606247725 1018777126 /nfs/dbraw/zinc/77/71/26/1018777126.db2.gz IFSHNFXRROQOTM-JACPFSORSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)[C@@H]2CCc3c[nH]nc3C2)C1=O ZINC001606248408 1018777504 /nfs/dbraw/zinc/77/75/04/1018777504.db2.gz WXFYPSVEIJQPCX-LDYMZIIASA-N -1 0 307.306 -0.257 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)c2ncnc3[nH]ccc32)C1=O ZINC001606247975 1018777748 /nfs/dbraw/zinc/77/77/48/1018777748.db2.gz LPCOQAKEZVWCQC-QMMMGPOBSA-N -1 0 304.262 -0.248 20 0 DBADRM CN1CCO[C@@H](C(=O)N2CCSC[C@@H]2CC(=O)[O-])C1=O ZINC001606249145 1018777892 /nfs/dbraw/zinc/77/78/92/1018777892.db2.gz GPJHWLZUYMDONM-WCBMZHEXSA-N -1 0 302.352 -0.738 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@H](CC2CCOCC2)C(=O)[O-])C1 ZINC001606248591 1018778048 /nfs/dbraw/zinc/77/80/48/1018778048.db2.gz CIQWVBYKDMNKKJ-VXGBXAGGSA-N -1 0 300.355 -0.297 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCCn3nccc32)C1=O ZINC001606250816 1018779541 /nfs/dbraw/zinc/77/95/41/1018779541.db2.gz LUQHATYFVHBFPT-JTQLQIEISA-N -1 0 306.322 -0.057 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCC(=O)OCC2CC2)C1=O ZINC001606251793 1018779696 /nfs/dbraw/zinc/77/96/96/1018779696.db2.gz QFQSFIWWAQWCCU-SNVBAGLBSA-N -1 0 312.322 -0.621 20 0 DBADRM O=C([O-])CN1CCC[C@H]1COC(=O)CS(=O)(=O)C1CC1 ZINC001606257240 1018781883 /nfs/dbraw/zinc/78/18/83/1018781883.db2.gz JPESIHWQSCPJHH-VIFPVBQESA-N -1 0 305.352 -0.344 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001606258922 1018782062 /nfs/dbraw/zinc/78/20/62/1018782062.db2.gz JEMBEJBDOXGOHO-SECBINFHSA-N -1 0 316.321 -0.128 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NC[C@@H]2CCOC2)C1=O ZINC001606255372 1018782162 /nfs/dbraw/zinc/78/21/62/1018782162.db2.gz LVNDRPXBHDNTQB-WDEREUQCSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NCCc2cn[nH]c2)C1=O ZINC001606255385 1018782402 /nfs/dbraw/zinc/78/24/02/1018782402.db2.gz LYOJCGSURWJPLP-LLVKDONJSA-N -1 0 323.353 -0.283 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCc2nnc(C3CC3)o2)C1=O ZINC001606253418 1018783931 /nfs/dbraw/zinc/78/39/31/1018783931.db2.gz QUAZQMQBKZKKBY-VIFPVBQESA-N -1 0 322.321 -0.114 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)c2cc[n+]([O-])cc2)C1=O ZINC001606256397 1018784065 /nfs/dbraw/zinc/78/40/65/1018784065.db2.gz YTKAIQQOUFBAGE-NSHDSACASA-N -1 0 307.306 -0.485 20 0 DBADRM CNC(=O)[C@@H]1CCCCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001606262446 1018785081 /nfs/dbraw/zinc/78/50/81/1018785081.db2.gz ZBMMLGNXWGEWKV-VIFPVBQESA-N -1 0 304.368 -0.076 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NS(=O)(=O)c2c[nH]cn2)C1=O ZINC001606259024 1018786322 /nfs/dbraw/zinc/78/63/22/1018786322.db2.gz NVYFQXWTXKIQRY-QMMMGPOBSA-N -1 0 316.339 -0.846 20 0 DBADRM CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001606260356 1018787981 /nfs/dbraw/zinc/78/79/81/1018787981.db2.gz VZZGTTTZPURNCM-MRVPVSSYSA-N -1 0 315.351 -0.218 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC001606264352 1018788043 /nfs/dbraw/zinc/78/80/43/1018788043.db2.gz GGCREUCUXVBHOP-JQWIXIFHSA-N -1 0 324.308 -0.469 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001606259716 1018788481 /nfs/dbraw/zinc/78/84/81/1018788481.db2.gz RDKDIYWWCHKYJO-MRVPVSSYSA-N -1 0 302.294 -0.057 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001606266832 1018790285 /nfs/dbraw/zinc/79/02/85/1018790285.db2.gz FDGJNVWJTCQPFA-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM Cn1nc(C2CC2)nc1Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001606268360 1018791123 /nfs/dbraw/zinc/79/11/23/1018791123.db2.gz PNMYITWRYKCSJK-UHFFFAOYSA-N -1 0 315.297 -0.817 20 0 DBADRM CNC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CCO1 ZINC001606266015 1018791343 /nfs/dbraw/zinc/79/13/43/1018791343.db2.gz GVQQWMMQVYRNSX-QMMMGPOBSA-N -1 0 318.307 -0.887 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)Nc2nn(C)cc2C(=O)[O-])CCO1 ZINC001606266432 1018792568 /nfs/dbraw/zinc/79/25/68/1018792568.db2.gz UYFLUXBZKJMXMG-QMMMGPOBSA-N -1 0 311.298 -0.903 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1COc2ccc(O)cc2O1 ZINC001606265350 1018792759 /nfs/dbraw/zinc/79/27/59/1018792759.db2.gz ZCFWFWQXPDRWGO-SNVBAGLBSA-N -1 0 311.246 -0.724 20 0 DBADRM O=C([O-])COCC(=O)O[C@H]1CCN(C2CCOCC2)C1=O ZINC001606274355 1018793340 /nfs/dbraw/zinc/79/33/40/1018793340.db2.gz AHDVEFAWUINFBY-JTQLQIEISA-N -1 0 301.295 -0.589 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2oc(C(=O)[O-])cc2C)CC1 ZINC001606270678 1018794210 /nfs/dbraw/zinc/79/42/10/1018794210.db2.gz KCIGVTAUTJYCJL-UHFFFAOYSA-N -1 0 309.322 -0.210 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001606273608 1018794279 /nfs/dbraw/zinc/79/42/79/1018794279.db2.gz QGKCHDNQTVMLQS-UHFFFAOYSA-N -1 0 313.697 -0.161 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001606271399 1018794447 /nfs/dbraw/zinc/79/44/47/1018794447.db2.gz RZEKVBVFBDZAFT-UHFFFAOYSA-N -1 0 307.306 -0.164 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001606271475 1018795624 /nfs/dbraw/zinc/79/56/24/1018795624.db2.gz SVGLLIYIAAWCES-ONEGZZNKSA-N -1 0 323.305 -0.688 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001606271015 1018797767 /nfs/dbraw/zinc/79/77/67/1018797767.db2.gz MPVVFSYWBCCAHC-UHFFFAOYSA-N -1 0 316.335 -0.240 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)cn1 ZINC001606277381 1018799110 /nfs/dbraw/zinc/79/91/10/1018799110.db2.gz LEENSSDSWWSYAT-BCMRRPTOSA-N -1 0 310.310 -0.554 20 0 DBADRM CNC(=O)N[C@H]1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001606277593 1018799642 /nfs/dbraw/zinc/79/96/42/1018799642.db2.gz AEEMVYIPNKPEKI-GARJFASQSA-N -1 0 313.354 -0.214 20 0 DBADRM CNC(=O)[C@@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)C(C)C ZINC001606279753 1018799819 /nfs/dbraw/zinc/79/98/19/1018799819.db2.gz QEDMMOBBWKNVEO-NSHDSACASA-N -1 0 309.322 -0.567 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)n1 ZINC001606277240 1018800077 /nfs/dbraw/zinc/80/00/77/1018800077.db2.gz FUHUBIJMDKJJPY-HYXAFXHYSA-N -1 0 319.277 -0.033 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC(N2CCOC2=O)CC1 ZINC001606279303 1018800104 /nfs/dbraw/zinc/80/01/04/1018800104.db2.gz JHZIVWWSGBQLHX-UHFFFAOYSA-N -1 0 315.326 -0.286 20 0 DBADRM CNC(=O)Cc1noc(CN[C@@H](C[C@@H]2CCCO2)C(=O)[O-])n1 ZINC001606277528 1018800267 /nfs/dbraw/zinc/80/02/67/1018800267.db2.gz PDRCOWLXJSAFKY-IUCAKERBSA-N -1 0 312.326 -0.530 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)n1 ZINC001606277236 1018801067 /nfs/dbraw/zinc/80/10/67/1018801067.db2.gz FUHUBIJMDKJJPY-HWKANZROSA-N -1 0 319.277 -0.033 20 0 DBADRM CNC(=O)N[C@@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001606280032 1018801771 /nfs/dbraw/zinc/80/17/71/1018801771.db2.gz BCEVWARAYCHFSX-SECBINFHSA-N -1 0 321.337 -0.278 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)NCC2(C(=O)[O-])CC2)CCO1 ZINC001606280271 1018802356 /nfs/dbraw/zinc/80/23/56/1018802356.db2.gz FGTYZIDLKPBPQX-VIFPVBQESA-N -1 0 314.342 -0.809 20 0 DBADRM CNC(=O)N[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001606280656 1018802500 /nfs/dbraw/zinc/80/25/00/1018802500.db2.gz JDRIEHZYWHFAIQ-ZCFIWIBFSA-N -1 0 318.311 -0.935 20 0 DBADRM CNC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccnc(C(=O)[O-])n1 ZINC001606282425 1018802703 /nfs/dbraw/zinc/80/27/03/1018802703.db2.gz ZGUWXDSDKYIFJG-QMMMGPOBSA-N -1 0 324.341 -0.955 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001606284858 1018803311 /nfs/dbraw/zinc/80/33/11/1018803311.db2.gz OYOWBFKUMZCGFI-FRGLDACASA-N -1 0 320.367 -0.981 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1cnc2c[nH]nc2c1 ZINC001606285913 1018803548 /nfs/dbraw/zinc/80/35/48/1018803548.db2.gz LTGDWAFXIGRNML-UHFFFAOYSA-N -1 0 308.294 -0.195 20 0 DBADRM CNC(=O)c1c(C)[nH]nc1NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001606283871 1018803803 /nfs/dbraw/zinc/80/38/03/1018803803.db2.gz MOBWMVJUNUGGRS-SLBFFKMLSA-N -1 0 310.310 -0.106 20 0 DBADRM CNC(=O)c1ccc(C(=O)NCCn2cc(C(=O)[O-])nn2)cn1 ZINC001606284140 1018804121 /nfs/dbraw/zinc/80/41/21/1018804121.db2.gz ZQTXCYINYLTAFN-UHFFFAOYSA-N -1 0 318.293 -0.839 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc(C(=O)[O-])on1 ZINC001606283966 1018804141 /nfs/dbraw/zinc/80/41/41/1018804141.db2.gz RHHSNXHTWXUMOZ-ZETCQYMHSA-N -1 0 307.266 -0.817 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001606284161 1018804188 /nfs/dbraw/zinc/80/41/88/1018804188.db2.gz XJPCOHSBTZXDNG-LURJTMIESA-N -1 0 311.269 -0.287 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001606292178 1018804878 /nfs/dbraw/zinc/80/48/78/1018804878.db2.gz GCXKNBMDPPKYQO-SSDOTTSWSA-N -1 0 310.314 -0.213 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001606292564 1018805088 /nfs/dbraw/zinc/80/50/88/1018805088.db2.gz MLJLEDCKTQVBPT-NKWVEPMBSA-N -1 0 311.298 -0.485 20 0 DBADRM O=C([O-])CSCC(=O)N1CC(CNC(=O)C(F)(F)F)C1 ZINC001606300408 1018806250 /nfs/dbraw/zinc/80/62/50/1018806250.db2.gz GLQWAKIGFVYGMV-UHFFFAOYSA-N -1 0 314.285 -0.059 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001606302354 1018807054 /nfs/dbraw/zinc/80/70/54/1018807054.db2.gz FHLNKXIDYUTATD-LBPRGKRZSA-N -1 0 315.351 -0.563 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001606298845 1018807138 /nfs/dbraw/zinc/80/71/38/1018807138.db2.gz JLEFCKZMPGUDRQ-VIFPVBQESA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)N1CCN(c2ccc(C)c(C(=O)[O-])n2)CC1 ZINC001606301609 1018807251 /nfs/dbraw/zinc/80/72/51/1018807251.db2.gz KBXNENUERMXULM-UHFFFAOYSA-N -1 0 314.367 -0.326 20 0 DBADRM CNc1cnc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)cn1 ZINC001606313693 1018807873 /nfs/dbraw/zinc/80/78/73/1018807873.db2.gz WIVVSZUYTDDUKC-ZDUSSCGKSA-N -1 0 305.294 -0.036 20 0 DBADRM CNS(=O)(=O)CCCOC(=O)c1cccc(C(=O)[O-])n1 ZINC001606303218 1018807885 /nfs/dbraw/zinc/80/78/85/1018807885.db2.gz WZGABQQWSYBVOG-UHFFFAOYSA-N -1 0 302.308 -0.124 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCF)C(=O)[O-])o1 ZINC001606304808 1018807960 /nfs/dbraw/zinc/80/79/60/1018807960.db2.gz YGRQZUALRJVQBL-LURJTMIESA-N -1 0 308.287 -0.270 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001606303790 1018808140 /nfs/dbraw/zinc/80/81/40/1018808140.db2.gz XWQMVUYKZGXTPA-UHFFFAOYSA-N -1 0 301.324 -0.314 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001606303402 1018808387 /nfs/dbraw/zinc/80/83/87/1018808387.db2.gz AEIMJXLBOOSANT-UHFFFAOYSA-N -1 0 319.314 -0.555 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001606302639 1018808522 /nfs/dbraw/zinc/80/85/22/1018808522.db2.gz LDCQAGGXBCWBDR-UTLUCORTSA-N -1 0 304.368 -0.363 20 0 DBADRM CNS(=O)(=O)c1c[nH]c(C(=O)OCCCC(=O)C(=O)[O-])c1 ZINC001606303653 1018808598 /nfs/dbraw/zinc/80/85/98/1018808598.db2.gz QRRWYDDIYRPOLL-UHFFFAOYSA-N -1 0 318.307 -0.487 20 0 DBADRM CNc1nnc(CC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)s1 ZINC001606315174 1018809359 /nfs/dbraw/zinc/80/93/59/1018809359.db2.gz KURRKBZLZIFCHB-RQJHMYQMSA-N -1 0 300.340 -0.177 20 0 DBADRM CNc1nnc(CC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)s1 ZINC001606315101 1018809917 /nfs/dbraw/zinc/80/99/17/1018809917.db2.gz IHUHSZNUMUFLNE-BQBZGAKWSA-N -1 0 300.340 -0.584 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CN1C(=O)Cc2ccccc21 ZINC001606323640 1018810113 /nfs/dbraw/zinc/81/01/13/1018810113.db2.gz LTWMHXIQEBRJRP-JTQLQIEISA-N -1 0 320.301 -0.292 20 0 DBADRM COC(=O)[C@@H](CCC1OCCO1)NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606330625 1018810620 /nfs/dbraw/zinc/81/06/20/1018810620.db2.gz CASYDXLFIMKHAU-KXUCPTDWSA-N -1 0 315.322 -0.092 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@@H](N3CCC3)[C@@H](F)C2)nn1 ZINC001606326548 1018810683 /nfs/dbraw/zinc/81/06/83/1018810683.db2.gz RZWWOOBXXJNAQT-GXSJLCMTSA-N -1 0 311.317 -0.379 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCOc3ncccc3C2)nn1 ZINC001606325934 1018810703 /nfs/dbraw/zinc/81/07/03/1018810703.db2.gz JANOPADSRXSSPK-UHFFFAOYSA-N -1 0 303.278 -0.208 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@@H](N3CCCC3=O)C2)nn1 ZINC001606325378 1018810939 /nfs/dbraw/zinc/81/09/39/1018810939.db2.gz AGKNLCFLNIOLKG-SECBINFHSA-N -1 0 307.310 -0.800 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC001606324816 1018811105 /nfs/dbraw/zinc/81/11/05/1018811105.db2.gz XTERCDMBPQFQLX-GXSJLCMTSA-N -1 0 322.317 -0.063 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cnn(C)c1C ZINC001606325661 1018811307 /nfs/dbraw/zinc/81/13/07/1018811307.db2.gz OJRJDVXDIYRHBD-ZETCQYMHSA-N -1 0 305.312 -0.977 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCCCCNC(=O)CC2)nn1 ZINC001606325468 1018811445 /nfs/dbraw/zinc/81/14/45/1018811445.db2.gz CFVRPGDFPPZCHX-UHFFFAOYSA-N -1 0 309.326 -0.505 20 0 DBADRM COC(=O)[C@H](CNS(=O)(=O)C[C@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC001606329157 1018811546 /nfs/dbraw/zinc/81/15/46/1018811546.db2.gz CDQSWBNJGDEEBR-IVZWLZJFSA-N -1 0 323.367 -0.548 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)nn1 ZINC001606326100 1018811615 /nfs/dbraw/zinc/81/16/15/1018811615.db2.gz JUFWTDXOSFIAFG-VXGBXAGGSA-N -1 0 323.353 -0.966 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001606324148 1018811634 /nfs/dbraw/zinc/81/16/34/1018811634.db2.gz URAJXOQHCYOGOC-WPRPVWTQSA-N -1 0 314.338 -0.186 20 0 DBADRM COC(=O)[C@H](CCF)NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001606334970 1018812317 /nfs/dbraw/zinc/81/23/17/1018812317.db2.gz XDMNBTOVFAEQCR-VIFPVBQESA-N -1 0 320.298 -0.041 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N(CCO)CC2CC2)n1 ZINC001606341260 1018812497 /nfs/dbraw/zinc/81/24/97/1018812497.db2.gz PMDGVQAWGOADFE-UHFFFAOYSA-N -1 0 310.310 -0.863 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)n1 ZINC001606341647 1018812647 /nfs/dbraw/zinc/81/26/47/1018812647.db2.gz YGJGVILGZKQBCR-SNVBAGLBSA-N -1 0 322.321 -0.456 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CCC(CCO)CC2)n1 ZINC001606341248 1018812771 /nfs/dbraw/zinc/81/27/71/1018812771.db2.gz PHLKEIWCJWOMSJ-UHFFFAOYSA-N -1 0 324.337 -0.473 20 0 DBADRM COC(=O)[C@H](Cc1cncs1)NCCC(=O)NCC(=O)[O-] ZINC001606332821 1018812825 /nfs/dbraw/zinc/81/28/25/1018812825.db2.gz FWIWTMWPRWZTON-VIFPVBQESA-N -1 0 315.351 -0.592 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCc2cccnc2F)n1 ZINC001606341034 1018813007 /nfs/dbraw/zinc/81/30/07/1018813007.db2.gz NGBBMNPIEVNDFD-UHFFFAOYSA-N -1 0 321.268 -0.243 20 0 DBADRM COC(=O)[C@]1(F)CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1 ZINC001606352220 1018813827 /nfs/dbraw/zinc/81/38/27/1018813827.db2.gz ZMYRLGALDPFTRA-GWCFXTLKSA-N -1 0 304.318 -0.201 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NCc2nnc3n2CCOC3)n1 ZINC001606348688 1018814019 /nfs/dbraw/zinc/81/40/19/1018814019.db2.gz FJLYHDNEGORZHG-UHFFFAOYSA-N -1 0 321.297 -0.589 20 0 DBADRM COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001606348442 1018814563 /nfs/dbraw/zinc/81/45/63/1018814563.db2.gz WXJJYQGPQBJKSC-JIXVBMEVSA-N -1 0 315.322 -0.202 20 0 DBADRM COC(=O)C1(NC(=O)c2ccc(C(=O)[O-])n2C)CC(CO)C1 ZINC001606352515 1018814616 /nfs/dbraw/zinc/81/46/16/1018814616.db2.gz LBUUTCOZVNGCRS-UHFFFAOYSA-N -1 0 310.306 -0.233 20 0 DBADRM COC(=O)[C@@]1(NC(=O)Cc2ccc(C(=O)[O-])nc2)CCOC1 ZINC001606353103 1018815538 /nfs/dbraw/zinc/81/55/38/1018815538.db2.gz ZDNCXVGHBOEGCR-CQSZACIVSA-N -1 0 308.290 -0.229 20 0 DBADRM COC(=O)[C@]1(NS(=O)(=O)CCCC(=O)[O-])CCSC1 ZINC001606353874 1018816028 /nfs/dbraw/zinc/81/60/28/1018816028.db2.gz GUAUXMDVUSAPKD-JTQLQIEISA-N -1 0 311.381 -0.181 20 0 DBADRM COC(=O)[C@]1(NC(=O)Cc2ccc(C(=O)[O-])nc2)CCOC1 ZINC001606353102 1018816307 /nfs/dbraw/zinc/81/63/07/1018816307.db2.gz ZDNCXVGHBOEGCR-AWEZNQCLSA-N -1 0 308.290 -0.229 20 0 DBADRM COC(=O)[C@]1(OC)CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001606358014 1018816506 /nfs/dbraw/zinc/81/65/06/1018816506.db2.gz YEWVHPCFXNWEFP-LBPRGKRZSA-N -1 0 323.367 -0.309 20 0 DBADRM COC(=O)[C@@]1(OC)CCN(Cn2nc(C(=O)[O-])ccc2=O)C1 ZINC001606356684 1018816618 /nfs/dbraw/zinc/81/66/18/1018816618.db2.gz HOENOLMMKIFLON-CYBMUJFWSA-N -1 0 311.294 -0.837 20 0 DBADRM COC(=O)C1(O)CN(C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC001606356986 1018816814 /nfs/dbraw/zinc/81/68/14/1018816814.db2.gz MICKALPKFMAAJU-UHFFFAOYSA-N -1 0 322.317 -0.143 20 0 DBADRM COC(=O)C1=CC[C@H](n2nnnc2N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1 ZINC001606359266 1018817096 /nfs/dbraw/zinc/81/70/96/1018817096.db2.gz PCVSFOSEKJWUOB-UKKRHICBSA-N -1 0 319.321 -0.126 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1nccnc1N ZINC001606372792 1018817574 /nfs/dbraw/zinc/81/75/74/1018817574.db2.gz HVZYFXAIGDVMHL-JGVFFNPUSA-N -1 0 308.294 -0.463 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1CCN1CCOCC1 ZINC001606374557 1018817732 /nfs/dbraw/zinc/81/77/32/1018817732.db2.gz GOHJZHOISLNARK-VXGBXAGGSA-N -1 0 300.355 -0.343 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H](O)c1cccnc1 ZINC001606373368 1018817797 /nfs/dbraw/zinc/81/77/97/1018817797.db2.gz VWBXJGANUKYEAT-USWWRNFRSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001606368945 1018817924 /nfs/dbraw/zinc/81/79/24/1018817924.db2.gz AEXSJXLMLDDATE-OIBJUYFYSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1ccc(C(=O)[O-])n1C ZINC001606370563 1018817929 /nfs/dbraw/zinc/81/79/29/1018817929.db2.gz KTWAFKFQTDPQPG-GHMZBOCLSA-N -1 0 310.306 -0.138 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@@H](C)n1cncn1 ZINC001606371171 1018818262 /nfs/dbraw/zinc/81/82/62/1018818262.db2.gz NJYYTSOUKCYSJD-UTLUCORTSA-N -1 0 310.310 -0.296 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cc(=O)[nH]cn1 ZINC001606370656 1018818317 /nfs/dbraw/zinc/81/83/17/1018818317.db2.gz OHQWSZOMBCDZEJ-IONNQARKSA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1CCCS(N)(=O)=O ZINC001606375054 1018818378 /nfs/dbraw/zinc/81/83/78/1018818378.db2.gz RFOJALVWGDNAFD-RKDXNWHRSA-N -1 0 308.356 -0.997 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001606376023 1018818812 /nfs/dbraw/zinc/81/88/12/1018818812.db2.gz VADFNRHBCXYFTE-KOLCDFICSA-N -1 0 322.317 -0.136 20 0 DBADRM O=C([O-])[C@@H]1CCCN1C(=O)c1nc2ncc(CCO)cn2n1 ZINC001606382398 1018818844 /nfs/dbraw/zinc/81/88/44/1018818844.db2.gz DMWFTEDZIHILAW-VIFPVBQESA-N -1 0 305.294 -0.652 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1nnnn1C1CC1 ZINC001606376773 1018818943 /nfs/dbraw/zinc/81/89/43/1018818943.db2.gz QZOHMUFMQLLTJK-SCZZXKLOSA-N -1 0 309.326 -0.154 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(CO)on1 ZINC001606383703 1018818978 /nfs/dbraw/zinc/81/89/78/1018818978.db2.gz JAQRJZRWQVLEDQ-XCBNKYQSSA-N -1 0 312.278 -0.355 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1CCN1CCOC1=O ZINC001606385302 1018818984 /nfs/dbraw/zinc/81/89/84/1018818984.db2.gz IARVJVYABRMEOO-VHSXEESVSA-N -1 0 300.311 -0.223 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C[C@H](O)C1(O)CCCC1 ZINC001606376130 1018819006 /nfs/dbraw/zinc/81/90/06/1018819006.db2.gz VRFBUBBAJYOMBI-SRVKXCTJSA-N -1 0 315.366 -0.009 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001606375266 1018819136 /nfs/dbraw/zinc/81/91/36/1018819136.db2.gz BDZVSQPRRINXCX-VPOLOUISSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001606378196 1018819589 /nfs/dbraw/zinc/81/95/89/1018819589.db2.gz OZBVCFFPBGZYLY-CHWFTXMASA-N -1 0 315.322 -0.202 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@]1(F)CCOC1 ZINC001606382238 1018819607 /nfs/dbraw/zinc/81/96/07/1018819607.db2.gz PKIBYIKJPLFUHG-ZDMBXUJBSA-N -1 0 303.286 -0.020 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(=O)n1C ZINC001606384210 1018819682 /nfs/dbraw/zinc/81/96/82/1018819682.db2.gz CDCPIRGWHQGRDR-KOLCDFICSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cnc(C)nc1N ZINC001606384941 1018819729 /nfs/dbraw/zinc/81/97/29/1018819729.db2.gz GRYUYPYDCZQGNY-SCZZXKLOSA-N -1 0 322.321 -0.154 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1COCCO1 ZINC001606383335 1018819745 /nfs/dbraw/zinc/81/97/45/1018819745.db2.gz DTGIRRYBKJTNKV-LPEHRKFASA-N -1 0 301.295 -0.733 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001606375267 1018819967 /nfs/dbraw/zinc/81/99/67/1018819967.db2.gz BDZVSQPRRINXCX-ZNSHCXBVSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cnc(C)nc1N ZINC001606384942 1018819989 /nfs/dbraw/zinc/81/99/89/1018819989.db2.gz GRYUYPYDCZQGNY-WCBMZHEXSA-N -1 0 322.321 -0.154 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1nnc(C)o1 ZINC001606386212 1018820275 /nfs/dbraw/zinc/82/02/75/1018820275.db2.gz YSUAUVDVHCZFJU-BDAKNGLRSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(OC)ncn2)C1 ZINC001606392082 1018820325 /nfs/dbraw/zinc/82/03/25/1018820325.db2.gz LSIUCRGNTXWZID-PSASIEDQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cn2cccnc2=O)C1 ZINC001606391903 1018821260 /nfs/dbraw/zinc/82/12/60/1018821260.db2.gz JTHAWCCUQDRGDB-UWVGGRQHSA-N -1 0 323.305 -0.892 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001606392104 1018822424 /nfs/dbraw/zinc/82/24/24/1018822424.db2.gz MAKGYXSXZCEPNH-IVZWLZJFSA-N -1 0 312.322 -0.480 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N2C[C@H](CCO)[C@H](CO)C2)C1 ZINC001606395717 1018822836 /nfs/dbraw/zinc/82/28/36/1018822836.db2.gz OUPYOZUFCABZPO-RHYQMDGZSA-N -1 0 300.355 -0.128 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCn2ccnn2)C1 ZINC001606392710 1018823433 /nfs/dbraw/zinc/82/34/33/1018823433.db2.gz PRXDVSUSYUTJQY-ZJUUUORDSA-N -1 0 310.310 -0.467 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CN2CCOC2=O)[C@@H](C(=O)[O-])C1 ZINC001606402453 1018824178 /nfs/dbraw/zinc/82/41/78/1018824178.db2.gz DHKZUNNVWPREBT-RKDXNWHRSA-N -1 0 314.294 -0.697 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCn2ccnn2)[C@H](C(=O)[O-])C1 ZINC001606402692 1018824235 /nfs/dbraw/zinc/82/42/35/1018824235.db2.gz GAVNNWHIQBBGJA-ZJUUUORDSA-N -1 0 310.310 -0.467 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N2CC[C@@H](C(=O)[O-])C2)C1=O ZINC001606402858 1018824426 /nfs/dbraw/zinc/82/44/26/1018824426.db2.gz CAHIZJVKAYNRID-NXEZZACHSA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N2CC[C@@H](C(=O)[O-])C2)C1=O ZINC001606402866 1018825138 /nfs/dbraw/zinc/82/51/38/1018825138.db2.gz CAHIZJVKAYNRID-ZJUUUORDSA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCc2cn[nH]n2)[C@@H](C(=O)[O-])C1 ZINC001606402950 1018824780 /nfs/dbraw/zinc/82/47/80/1018824780.db2.gz IHIAYRGRFVYXHF-WCBMZHEXSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@H](C(=O)[O-])C1 ZINC001606402801 1018824963 /nfs/dbraw/zinc/82/49/63/1018824963.db2.gz BGSMIJIDWOKBMV-BBBLOLIVSA-N -1 0 312.322 -0.623 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001606401911 1018825201 /nfs/dbraw/zinc/82/52/01/1018825201.db2.gz GJEUGMKLRRWMMK-JTQLQIEISA-N -1 0 310.321 -0.413 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)[C@H](C(=O)[O-])C1 ZINC001606406357 1018825715 /nfs/dbraw/zinc/82/57/15/1018825715.db2.gz DYHAPUDDJLSADC-SFYZADRCSA-N -1 0 311.294 -0.396 20 0 DBADRM NC(=O)[C@H]1CC[C@H]1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001606410006 1018826326 /nfs/dbraw/zinc/82/63/26/1018826326.db2.gz OHRVUFUKNFQISJ-VHSXEESVSA-N -1 0 302.294 -0.212 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cc(=O)[nH]cn2)[C@@H](C(=O)[O-])C1 ZINC001606407676 1018827077 /nfs/dbraw/zinc/82/70/77/1018827077.db2.gz SKJMKYQLSZQZMB-VXNVDRBHSA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@H]1CCN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC001606415005 1018827666 /nfs/dbraw/zinc/82/76/66/1018827666.db2.gz BGCAHLZVLNNCCE-RXMQYKEDSA-N -1 0 306.321 -0.223 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)/C(C)=C\C(=O)N1CC[C@@H]1C(=O)[O-] ZINC001606415916 1018829938 /nfs/dbraw/zinc/82/99/38/1018829938.db2.gz JWLVXMJKFYSZBF-LKMPMBSTSA-N -1 0 310.306 -0.608 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)/C(C)=C/C(=O)N1CC[C@H]1C(=O)[O-] ZINC001606415915 1018830275 /nfs/dbraw/zinc/83/02/75/1018830275.db2.gz JWLVXMJKFYSZBF-GOPXOUGQSA-N -1 0 310.306 -0.608 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cc2cncc(O)c2)C[C@@H]1C(=O)[O-] ZINC001606420489 1018831263 /nfs/dbraw/zinc/83/12/63/1018831263.db2.gz VFRAPPVVILFZAE-WDEREUQCSA-N -1 0 308.290 -0.338 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@H]1C(=O)[O-] ZINC001606420450 1018831654 /nfs/dbraw/zinc/83/16/54/1018831654.db2.gz UWEXGTJVFRHXPE-MNOVXSKESA-N -1 0 309.322 -0.397 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2cc(C)nn2C)C[C@H]1C(=O)[O-] ZINC001606420069 1018831975 /nfs/dbraw/zinc/83/19/75/1018831975.db2.gz GJGOQYPMLVEJJL-MNOVXSKESA-N -1 0 324.337 -0.256 20 0 DBADRM COC(=O)[C@H]1CN(C)CCN(C(=O)c2cc(C(=O)[O-])on2)C1 ZINC001606425374 1018832484 /nfs/dbraw/zinc/83/24/84/1018832484.db2.gz IIHMNZLQYPBGSS-QMMMGPOBSA-N -1 0 311.294 -0.450 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H]1C(=O)[O-] ZINC001606423045 1018832796 /nfs/dbraw/zinc/83/27/96/1018832796.db2.gz PQHMESPAXMPDMA-NKWVEPMBSA-N -1 0 310.262 -0.676 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnc3c[nH]nc3c2)C[C@@H]1C(=O)[O-] ZINC001606425948 1018833034 /nfs/dbraw/zinc/83/30/34/1018833034.db2.gz OTJQLOQAAHDMLZ-DTWKUNHWSA-N -1 0 318.289 -0.096 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1C(=O)[O-] ZINC001606425306 1018833427 /nfs/dbraw/zinc/83/34/27/1018833427.db2.gz HNFZNVSHHXJIQK-RKDXNWHRSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cncc(OC)n2)C[C@@H]1C(=O)[O-] ZINC001606426765 1018834256 /nfs/dbraw/zinc/83/42/56/1018834256.db2.gz SURBQASHFQOIMR-YUMQZZPRSA-N -1 0 309.278 -0.569 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@H]1C(=O)[O-] ZINC001606426761 1018834503 /nfs/dbraw/zinc/83/45/03/1018834503.db2.gz SURBQASHFQOIMR-HTQZYQBOSA-N -1 0 309.278 -0.569 20 0 DBADRM COC(=O)[C@@H]1CN(CN2C[C@H](C(F)F)CC2=O)C[C@H]1C(=O)[O-] ZINC001606429790 1018834698 /nfs/dbraw/zinc/83/46/98/1018834698.db2.gz KWPPOEFMXGWTKI-IWSPIJDZSA-N -1 0 320.292 -0.137 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)Nc2ccccn2)C[C@@H]1C(=O)[O-] ZINC001606430127 1018834712 /nfs/dbraw/zinc/83/47/12/1018834712.db2.gz MLNUIFZHCYAZOC-UWVGGRQHSA-N -1 0 307.306 -0.174 20 0 DBADRM COC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001606426584 1018834807 /nfs/dbraw/zinc/83/48/07/1018834807.db2.gz RZYWVAIYZBDEJC-LLVKDONJSA-N -1 0 321.333 -0.043 20 0 DBADRM COC(=O)[C@H]1CN(c2ncnc3c2cnn3C)C[C@H]1C(=O)[O-] ZINC001606431214 1018836093 /nfs/dbraw/zinc/83/60/93/1018836093.db2.gz IJBGPOQCGMXNKF-BDAKNGLRSA-N -1 0 305.294 -0.327 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CCO1 ZINC001606432828 1018836579 /nfs/dbraw/zinc/83/65/79/1018836579.db2.gz VCMAHWLJXAGTMY-VIFPVBQESA-N -1 0 321.351 -0.555 20 0 DBADRM COC(=O)CC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606435391 1018837098 /nfs/dbraw/zinc/83/70/98/1018837098.db2.gz PUFYKMKGLUVTSL-UHFFFAOYSA-N -1 0 319.339 -0.025 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001606432318 1018837111 /nfs/dbraw/zinc/83/71/11/1018837111.db2.gz RCJVXLKRMILPKN-AXFHLTTASA-N -1 0 315.322 -0.343 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)C2(C(=O)[O-])CCC2)CCO1 ZINC001606431829 1018837557 /nfs/dbraw/zinc/83/75/57/1018837557.db2.gz NANJKMKUDNQZSV-MRVPVSSYSA-N -1 0 307.324 -0.803 20 0 DBADRM COC(=O)C[C@H](NC(=O)CN1C(=O)Cc2ccccc21)C(=O)[O-] ZINC001606441128 1018838120 /nfs/dbraw/zinc/83/81/20/1018838120.db2.gz ZBZIHQQZSNZTBU-JTQLQIEISA-N -1 0 320.301 -0.292 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CCc1cc(OC)no1)C(=O)[O-] ZINC001606439965 1018838368 /nfs/dbraw/zinc/83/83/68/1018838368.db2.gz DTAMXXQTVBGHNC-MRVPVSSYSA-N -1 0 300.267 -0.252 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)OC)C1)C(=O)[O-] ZINC001606440836 1018838388 /nfs/dbraw/zinc/83/83/88/1018838388.db2.gz SOFSUZIQCSEQCD-VGMNWLOBSA-N -1 0 301.295 -0.292 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc(C(=O)[O-])n1C)C(=O)OC ZINC001606442628 1018838952 /nfs/dbraw/zinc/83/89/52/1018838952.db2.gz YHRVRRSBYNSPDB-SSDOTTSWSA-N -1 0 312.278 -0.442 20 0 DBADRM COC(=O)C[C@H](NC(=O)CN1CCN(C2CC2)C1=O)C(=O)[O-] ZINC001606441057 1018839341 /nfs/dbraw/zinc/83/93/41/1018839341.db2.gz WUJVRNCMGQOGLV-VIFPVBQESA-N -1 0 313.310 -0.981 20 0 DBADRM O=C([O-])[C@H]1CCCN(CN2CC3(CCOCC3)[C@@H](O)C2=O)C1 ZINC001606449638 1018841300 /nfs/dbraw/zinc/84/13/00/1018841300.db2.gz XPELXVPPXBMBGL-RYUDHWBXSA-N -1 0 312.366 -0.260 20 0 DBADRM COC(=O)CC[C@H](C(=O)OC)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001606448086 1018841418 /nfs/dbraw/zinc/84/14/18/1018841418.db2.gz CNEKHXBUAMTQLZ-BBBLOLIVSA-N -1 0 303.311 -0.345 20 0 DBADRM COC(=O)CCCCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001606454070 1018841981 /nfs/dbraw/zinc/84/19/81/1018841981.db2.gz XOOAXVMGCOHYQC-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)CCN1CC[C@H](OC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C1=O ZINC001606454425 1018842493 /nfs/dbraw/zinc/84/24/93/1018842493.db2.gz GVTURFFCKYWTQV-AEJSXWLSSA-N -1 0 313.306 -0.196 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1CCOCCF)C2 ZINC001606458418 1018843504 /nfs/dbraw/zinc/84/35/04/1018843504.db2.gz AEJNMXWRQBUJOV-BXKDBHETSA-N -1 0 315.305 -0.803 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H](C)[C@@H]1CCC(=O)N1)C(=O)[O-] ZINC001606457826 1018844419 /nfs/dbraw/zinc/84/44/19/1018844419.db2.gz AWVWVVGXVZENST-HRDYMLBCSA-N -1 0 300.311 -0.576 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cc1ccc(C(N)=O)cc1 ZINC001606465066 1018844757 /nfs/dbraw/zinc/84/47/57/1018844757.db2.gz UEIWKEVQDUXIDD-UHFFFAOYSA-N -1 0 308.290 -0.586 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC(C(=O)NCCO)CC2)nc1 ZINC001606471320 1018844960 /nfs/dbraw/zinc/84/49/60/1018844960.db2.gz ORMLUKGKPZKQAN-UHFFFAOYSA-N -1 0 321.333 -0.260 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1ccc(C(=O)[O-])s1 ZINC001606470965 1018844970 /nfs/dbraw/zinc/84/49/70/1018844970.db2.gz QMJZRZSWQGHPIV-UHFFFAOYSA-N -1 0 300.292 -0.535 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1coc2c1C(=O)NCCC2 ZINC001606468121 1018845043 /nfs/dbraw/zinc/84/50/43/1018845043.db2.gz MVCJORDXWPDPAH-UHFFFAOYSA-N -1 0 324.289 -0.345 20 0 DBADRM O=C([O-])c1cc(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)[nH]n1 ZINC001606466613 1018845159 /nfs/dbraw/zinc/84/51/59/1018845159.db2.gz VBYQILFTKQOEDU-LJUQJJLCSA-N -1 0 307.262 -0.233 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C[C@H](c2cccnc2)CC1=O ZINC001606467938 1018845424 /nfs/dbraw/zinc/84/54/24/1018845424.db2.gz KRGGZDBLZZUYPL-GFCCVEGCSA-N -1 0 321.333 -0.085 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc2n(n1)CCC[C@@H]2O ZINC001606468161 1018845442 /nfs/dbraw/zinc/84/54/42/1018845442.db2.gz PODPJVQGYNFSSS-JTQLQIEISA-N -1 0 311.294 -0.590 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001606471109 1018845602 /nfs/dbraw/zinc/84/56/02/1018845602.db2.gz XSTRXABQDXBBNO-UHFFFAOYSA-N -1 0 308.290 -0.288 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC001606465000 1018845884 /nfs/dbraw/zinc/84/58/84/1018845884.db2.gz ORFBOOFAKIOLJA-UHFFFAOYSA-N -1 0 320.301 -0.190 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001606470831 1018845984 /nfs/dbraw/zinc/84/59/84/1018845984.db2.gz JSHUIZZNTQXOCM-UHFFFAOYSA-N -1 0 312.282 -0.866 20 0 DBADRM COC(=O)COCCNC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001606474173 1018846336 /nfs/dbraw/zinc/84/63/36/1018846336.db2.gz OPWVTELVVNNZRX-UHFFFAOYSA-N -1 0 313.310 -0.333 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)Cn2cc(C(=O)[O-])cn2)n1 ZINC001606483784 1018846879 /nfs/dbraw/zinc/84/68/79/1018846879.db2.gz CTNFTTAWMPWPBR-UHFFFAOYSA-N -1 0 307.266 -0.411 20 0 DBADRM COC(=O)CSCCC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001606474673 1018847043 /nfs/dbraw/zinc/84/70/43/1018847043.db2.gz KXEUKVPHXDKGEN-GFCCVEGCSA-N -1 0 319.379 -0.033 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccnc(C(=O)[O-])c1 ZINC001606471891 1018847120 /nfs/dbraw/zinc/84/71/20/1018847120.db2.gz OTLIADYLPZSLRV-SSDOTTSWSA-N -1 0 310.262 -0.386 20 0 DBADRM O=C(C[C@H]1CC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001606495459 1018847793 /nfs/dbraw/zinc/84/77/93/1018847793.db2.gz UZFDMKWALMTALL-VIFPVBQESA-N -1 0 304.285 -0.099 20 0 DBADRM COC(=O)N(C)CCN(C)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001606486420 1018847810 /nfs/dbraw/zinc/84/78/10/1018847810.db2.gz OKVAWNVIXCDYOK-KYZUINATSA-N -1 0 315.326 -0.878 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)C[C@@H]1CCOC[C@H]1OC ZINC001606501502 1018847829 /nfs/dbraw/zinc/84/78/29/1018847829.db2.gz WKVRGUONBCKBDU-IVZWLZJFSA-N -1 0 304.295 -0.013 20 0 DBADRM O=C(CC1CC1)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001606493055 1018848069 /nfs/dbraw/zinc/84/80/69/1018848069.db2.gz FDTJECJJHADREZ-SECBINFHSA-N -1 0 318.341 -0.654 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)C[C@H]1CCOC[C@@H]1OC ZINC001606501501 1018848098 /nfs/dbraw/zinc/84/80/98/1018848098.db2.gz WKVRGUONBCKBDU-BBBLOLIVSA-N -1 0 304.295 -0.013 20 0 DBADRM COC(=O)N1CCC(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001606489929 1018848167 /nfs/dbraw/zinc/84/81/67/1018848167.db2.gz RWBQMQSUIZPVCD-QWRGUYRKSA-N -1 0 314.338 -0.241 20 0 DBADRM COC(=O)NCCNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001606494735 1018848584 /nfs/dbraw/zinc/84/85/84/1018848584.db2.gz KBXVEMAFTLWOBG-SECBINFHSA-N -1 0 302.331 -1.000 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)C[C@@H]1CCOC[C@@H]1OC ZINC001606501500 1018848926 /nfs/dbraw/zinc/84/89/26/1018848926.db2.gz WKVRGUONBCKBDU-AEJSXWLSSA-N -1 0 304.295 -0.013 20 0 DBADRM COC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)C(C)C ZINC001606496008 1018848992 /nfs/dbraw/zinc/84/89/92/1018848992.db2.gz IXLPEMSLVGVSLK-BBBLOLIVSA-N -1 0 302.327 -0.339 20 0 DBADRM COC(=O)[C@@H](NC(=O)CN1CCSC[C@@H]1C(=O)[O-])C(C)C ZINC001606505932 1018849506 /nfs/dbraw/zinc/84/95/06/1018849506.db2.gz OFGNVRFNYVVMNL-KOLCDFICSA-N -1 0 318.395 -0.198 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCc2nncn2CC1 ZINC001606505010 1018849577 /nfs/dbraw/zinc/84/95/77/1018849577.db2.gz JWGMNLYVQYOKRN-NXEZZACHSA-N -1 0 324.337 -0.247 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1 ZINC001606509541 1018849630 /nfs/dbraw/zinc/84/96/30/1018849630.db2.gz GOMLOJDABARXOH-CHWFTXMASA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C1CCN(OC)CC1 ZINC001606505771 1018849717 /nfs/dbraw/zinc/84/97/17/1018849717.db2.gz ULHOJEMIMXPWFL-SNVBAGLBSA-N -1 0 302.327 -0.218 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC001606504806 1018850049 /nfs/dbraw/zinc/85/00/49/1018850049.db2.gz GENCYHYSIOLYAJ-OPRDCNLKSA-N -1 0 314.338 -0.199 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)[C@@H](C)C1CC1 ZINC001606504660 1018850054 /nfs/dbraw/zinc/85/00/54/1018850054.db2.gz AUBHXJRHRZMVIH-WCBMZHEXSA-N -1 0 322.383 -0.043 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001606511199 1018850767 /nfs/dbraw/zinc/85/07/67/1018850767.db2.gz BXGCQQZBUMPBPS-VHSXEESVSA-N -1 0 322.321 -0.051 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])C1 ZINC001606520250 1018850949 /nfs/dbraw/zinc/85/09/49/1018850949.db2.gz WCXWJMWGGFJHIM-BBBLOLIVSA-N -1 0 321.351 -0.557 20 0 DBADRM COC(=O)[C@@H]1C[C@H](F)CN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC001606511539 1018851057 /nfs/dbraw/zinc/85/10/57/1018851057.db2.gz NMAAGGMXCBXDAF-YUMQZZPRSA-N -1 0 312.319 -0.777 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001606519092 1018851211 /nfs/dbraw/zinc/85/12/11/1018851211.db2.gz IENBWAMLXABIHT-KXUCPTDWSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001606511534 1018851338 /nfs/dbraw/zinc/85/13/38/1018851338.db2.gz NGSUQUSRAKINIP-ZYUZMQFOSA-N -1 0 300.311 -0.416 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)COCc1ocnc1C(=O)[O-] ZINC001606511640 1018851354 /nfs/dbraw/zinc/85/13/54/1018851354.db2.gz RPGHDKVOWSRJSE-HTQZYQBOSA-N -1 0 312.278 -0.185 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCSC[C@@H](C(=O)[O-])C2)O1 ZINC001606510824 1018851487 /nfs/dbraw/zinc/85/14/87/1018851487.db2.gz YBWWNCZRUOYLFY-AEJSXWLSSA-N -1 0 317.363 -0.017 20 0 DBADRM COC(=O)[C@H]1CCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001606516085 1018851642 /nfs/dbraw/zinc/85/16/42/1018851642.db2.gz GQSWNVOJLGCJJS-SNVBAGLBSA-N -1 0 308.290 -0.290 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)c2cnn(C[C@@H](O)CO)c2)c1 ZINC001606533873 1018852382 /nfs/dbraw/zinc/85/23/82/1018852382.db2.gz LMOHVLYWASCAEK-SNVBAGLBSA-N -1 0 306.278 -0.418 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCC(C(=O)NCCO)CC2)cn1 ZINC001606533945 1018852850 /nfs/dbraw/zinc/85/28/50/1018852850.db2.gz PYHYJAVAFIXMID-UHFFFAOYSA-N -1 0 322.321 -0.865 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN2CC[C@H](C(=O)OC)C2)n1 ZINC001606536438 1018853189 /nfs/dbraw/zinc/85/31/89/1018853189.db2.gz DILSDEZBQJEGHY-QMMMGPOBSA-N -1 0 311.294 -0.180 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)on1 ZINC001606535157 1018853581 /nfs/dbraw/zinc/85/35/81/1018853581.db2.gz UXOYAIAXHKNZGN-JTQLQIEISA-N -1 0 312.278 -0.241 20 0 DBADRM O=C(CN1CCOCC1)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001606549141 1018854206 /nfs/dbraw/zinc/85/42/06/1018854206.db2.gz HQEIAQSVSZHEAE-UHFFFAOYSA-N -1 0 304.310 -0.391 20 0 DBADRM O=C([O-])C1(COC(=O)[C@@H]2CCS(=O)(=O)N2)CCOCC1 ZINC001606547620 1018854391 /nfs/dbraw/zinc/85/43/91/1018854391.db2.gz PZDUOFAZANZBHX-QMMMGPOBSA-N -1 0 307.324 -0.897 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@H]2CNC(=O)c3ccccc32)CCOC1 ZINC001606569392 1018855194 /nfs/dbraw/zinc/85/51/94/1018855194.db2.gz IGMSBCRIROYNFS-NHYWBVRUSA-N -1 0 304.302 -0.127 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCC(C)(C)CC(=O)[O-])n[nH]1 ZINC001606569181 1018855416 /nfs/dbraw/zinc/85/54/16/1018855416.db2.gz JJIZOTVXMMMXBR-UHFFFAOYSA-N -1 0 319.339 -0.025 20 0 DBADRM O=C([O-])C1(C(=O)NCCN2C(=O)CSC2=O)CCOCC1 ZINC001606564355 1018855444 /nfs/dbraw/zinc/85/54/44/1018855444.db2.gz VZGVUKXETCJRNT-UHFFFAOYSA-N -1 0 316.335 -0.321 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CC3(C2)C[C@H](O)CNC3=O)CC=CCC1 ZINC001606568947 1018855616 /nfs/dbraw/zinc/85/56/16/1018855616.db2.gz DFBNUBQZEMRSKD-BONVTDFDSA-N -1 0 308.334 -0.493 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC(C)(C)CC(=O)[O-])n[nH]1 ZINC001606564265 1018855882 /nfs/dbraw/zinc/85/58/82/1018855882.db2.gz ILPQZNIXGOPNPY-UHFFFAOYSA-N -1 0 305.312 -0.272 20 0 DBADRM O=C([O-])[C@H](NCC(=O)N1CCNC(=O)C1)c1ccc(F)cc1 ZINC001606564243 1018856028 /nfs/dbraw/zinc/85/60/28/1018856028.db2.gz RFFZCDTYHDMCNI-CYBMUJFWSA-N -1 0 309.297 -0.501 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C)C=CC(=O)[O-])n[nH]1 ZINC001606564988 1018856234 /nfs/dbraw/zinc/85/62/34/1018856234.db2.gz UIOSFWCEATUEMO-KGJQDRRLSA-N -1 0 303.296 -0.496 20 0 DBADRM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CO ZINC001606584634 1018856572 /nfs/dbraw/zinc/85/65/72/1018856572.db2.gz QCLKOBHXRQBLGV-ZETCQYMHSA-N -1 0 317.319 -0.170 20 0 DBADRM COC(=O)c1ccc(CN(C)[C@@H](C)C(=O)NCC(=O)[O-])nc1 ZINC001606586615 1018856655 /nfs/dbraw/zinc/85/66/55/1018856655.db2.gz ZQNZOASPFMJJHS-VIFPVBQESA-N -1 0 309.322 -0.111 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1coc2c1C(=O)NCCC2 ZINC001606570217 1018856732 /nfs/dbraw/zinc/85/67/32/1018856732.db2.gz YCPFAJZHECHGFE-SECBINFHSA-N -1 0 308.290 -0.119 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)N[C@@]1(CO)CCOC1 ZINC001606576715 1018856787 /nfs/dbraw/zinc/85/67/87/1018856787.db2.gz AQHVAFRNEJPEPB-CQSZACIVSA-N -1 0 319.321 -0.487 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCC3(CCNC(=O)O3)CC2)C1 ZINC001606569912 1018857160 /nfs/dbraw/zinc/85/71/60/1018857160.db2.gz RLMMUJMBRBHAHL-VIFPVBQESA-N -1 0 311.294 -0.293 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001606575783 1018857466 /nfs/dbraw/zinc/85/74/66/1018857466.db2.gz OYEIEHVVPKPFFD-YHPBZONMSA-N -1 0 319.321 -0.754 20 0 DBADRM COC(=O)c1ccc(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])[nH]1 ZINC001606588055 1018857716 /nfs/dbraw/zinc/85/77/16/1018857716.db2.gz KUWLNEPMLKWMSW-LLVKDONJSA-N -1 0 309.322 -0.034 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)N[C@]1(CO)CCOC1 ZINC001606576714 1018857919 /nfs/dbraw/zinc/85/79/19/1018857919.db2.gz AQHVAFRNEJPEPB-AWEZNQCLSA-N -1 0 319.321 -0.487 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)NC[C@@H]1COCCO1 ZINC001606575777 1018857956 /nfs/dbraw/zinc/85/79/56/1018857956.db2.gz OEYDHCINPRBMKZ-GFCCVEGCSA-N -1 0 319.321 -0.223 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)cc1)N[C@H]1COCCC1=O ZINC001606591797 1018857980 /nfs/dbraw/zinc/85/79/80/1018857980.db2.gz FJROQRDKFGFKEA-NSHDSACASA-N -1 0 301.306 -0.117 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])[nH]1 ZINC001606574216 1018858014 /nfs/dbraw/zinc/85/80/14/1018858014.db2.gz IYMCLBBXHWGRCE-SECBINFHSA-N -1 0 307.266 -0.724 20 0 DBADRM COC(=O)c1ccn(CCCC(=O)NC[C@@H](O)CC(=O)[O-])n1 ZINC001606621893 1018860066 /nfs/dbraw/zinc/86/00/66/1018860066.db2.gz KROHBFCVFJCMME-VIFPVBQESA-N -1 0 313.310 -0.598 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCc1ccns1 ZINC001606621041 1018860088 /nfs/dbraw/zinc/86/00/88/1018860088.db2.gz VQMATCWZELQWGU-UHFFFAOYSA-N -1 0 305.327 -0.726 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1C[C@H]1c1ccco1 ZINC001606623594 1018860952 /nfs/dbraw/zinc/86/09/52/1018860952.db2.gz RKPAOGVQULYNDA-HTQZYQBOSA-N -1 0 300.282 -0.277 20 0 DBADRM COC(=O)c1cnc(CCNC(=O)COCC(=O)[O-])s1 ZINC001606624474 1018861154 /nfs/dbraw/zinc/86/11/54/1018861154.db2.gz LSDYHBXJHZMJIW-UHFFFAOYSA-N -1 0 302.308 -0.310 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC(C2CCOCC2)C1 ZINC001606620237 1018861226 /nfs/dbraw/zinc/86/12/26/1018861226.db2.gz GHBYASNVNWJUHK-UHFFFAOYSA-N -1 0 318.341 -0.657 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cnn2c1CCCC2 ZINC001606623455 1018861575 /nfs/dbraw/zinc/86/15/75/1018861575.db2.gz LIIVLBGKGGWSCK-UHFFFAOYSA-N -1 0 314.313 -0.370 20 0 DBADRM COC(=O)c1cnn(CC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c1 ZINC001606629984 1018861924 /nfs/dbraw/zinc/86/19/24/1018861924.db2.gz SAZYWMASSALAEB-SCZZXKLOSA-N -1 0 311.294 -0.630 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)N1CC[C@H]1C(=O)[O-] ZINC001606636882 1018862317 /nfs/dbraw/zinc/86/23/17/1018862317.db2.gz JZWXVOAXBDDTMQ-YFKPBYRVSA-N -1 0 306.321 -0.223 20 0 DBADRM COC(=O)c1coc(/C=C/C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001606630252 1018862475 /nfs/dbraw/zinc/86/24/75/1018862475.db2.gz FHKUCPIFVGVKDB-NSCUHMNNSA-N -1 0 310.262 -0.604 20 0 DBADRM COC(=O)c1occc1CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC001606636420 1018862548 /nfs/dbraw/zinc/86/25/48/1018862548.db2.gz LUPYHZGDCLZHDE-UHFFFAOYSA-N -1 0 320.323 -0.193 20 0 DBADRM COC(=O)c1cncc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC001606628773 1018862967 /nfs/dbraw/zinc/86/29/67/1018862967.db2.gz WUBKFPMSMRZQNZ-NSHDSACASA-N -1 0 307.306 -0.357 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NCCC(C)(C)C(=O)[O-] ZINC001606625083 1018863136 /nfs/dbraw/zinc/86/31/36/1018863136.db2.gz HCXLXIHFHJEUGX-UHFFFAOYSA-N -1 0 319.339 -0.025 20 0 DBADRM CO[C@H](C)C(=O)N[C@H]1C[C@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001606659887 1018863681 /nfs/dbraw/zinc/86/36/81/1018863681.db2.gz UKBDFIGJFSSLIV-OPRDCNLKSA-N -1 0 308.338 -0.062 20 0 DBADRM CO[C@@H](C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1)C1CC1 ZINC001606648880 1018863897 /nfs/dbraw/zinc/86/38/97/1018863897.db2.gz NITWZVYWTQEJEY-LLVKDONJSA-N -1 0 319.379 -0.050 20 0 DBADRM CO[C@@H](C)CN(C)C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001606661091 1018864289 /nfs/dbraw/zinc/86/42/89/1018864289.db2.gz IVSIKXVNONVFPV-UWVGGRQHSA-N -1 0 302.327 -0.818 20 0 DBADRM CO[C@H](C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1)C1CC1 ZINC001606648881 1018864572 /nfs/dbraw/zinc/86/45/72/1018864572.db2.gz NITWZVYWTQEJEY-NSHDSACASA-N -1 0 319.379 -0.050 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)c1ccn2nnnc2c1)OC ZINC001606674987 1018865074 /nfs/dbraw/zinc/86/50/74/1018865074.db2.gz VVMJTTYNAJZCCM-UHFFFAOYSA-N -1 0 323.309 -0.340 20 0 DBADRM CO[C@H](CC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-])C(F)(F)F ZINC001606671033 1018865810 /nfs/dbraw/zinc/86/58/10/1018865810.db2.gz VNWXETUYZMKLOW-RNFRBKRXSA-N -1 0 312.244 -0.292 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001606673448 1018866189 /nfs/dbraw/zinc/86/61/89/1018866189.db2.gz KTUSZQHYOAMLBC-MMWGEVLESA-N -1 0 314.338 -0.867 20 0 DBADRM CO[C@H](CNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001606676607 1018866245 /nfs/dbraw/zinc/86/62/45/1018866245.db2.gz REOXRWYEMXXFTF-WRWGMCAJSA-N -1 0 316.354 -0.485 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC001606690789 1018866675 /nfs/dbraw/zinc/86/66/75/1018866675.db2.gz DGGJVUNDPVXQOT-HGUJLJSRSA-N -1 0 314.338 -0.629 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001606690780 1018866933 /nfs/dbraw/zinc/86/69/33/1018866933.db2.gz DEGCOWKXFFYSTE-KIGUWFBYSA-N -1 0 310.350 -0.007 20 0 DBADRM CO[C@]1(C(=O)NC[C@H](CC2CC2)C(=O)[O-])CCS(=O)(=O)C1 ZINC001606690428 1018866989 /nfs/dbraw/zinc/86/69/89/1018866989.db2.gz PEPKLLYUVBKCQM-GXFFZTMASA-N -1 0 319.379 -0.193 20 0 DBADRM CO[C@@]1(C(=O)N[C@H](CC(=O)[O-])C2CC2)CCS(=O)(=O)C1 ZINC001606690443 1018867152 /nfs/dbraw/zinc/86/71/52/1018867152.db2.gz PXAXHEUZTOOBFZ-SKDRFNHKSA-N -1 0 305.352 -0.440 20 0 DBADRM COC1(C(=O)NC[C@H](CC2CC2)C(=O)[O-])CS(=O)(=O)C1 ZINC001606690449 1018867172 /nfs/dbraw/zinc/86/71/72/1018867172.db2.gz QFBNHFMYVDQZJP-VIFPVBQESA-N -1 0 305.352 -0.583 20 0 DBADRM COC1(C(=O)N[C@@H](CC(F)F)C(=O)[O-])CS(=O)(=O)C1 ZINC001606690342 1018867180 /nfs/dbraw/zinc/86/71/80/1018867180.db2.gz JOFSCSQMXJDLST-YFKPBYRVSA-N -1 0 301.267 -0.975 20 0 DBADRM O=C(NC1COCCOC1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001606688667 1018867268 /nfs/dbraw/zinc/86/72/68/1018867268.db2.gz KMGCOUYWEHYTME-UHFFFAOYSA-N -1 0 305.294 -0.283 20 0 DBADRM COC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CS(=O)(=O)C1 ZINC001606690332 1018867430 /nfs/dbraw/zinc/86/74/30/1018867430.db2.gz JGTTXJJNWBMHNT-KYXWUPHJSA-N -1 0 317.363 -0.585 20 0 DBADRM COC1(C(=O)N2CCSC[C@H]2CC(=O)[O-])CS(=O)(=O)C1 ZINC001606689011 1018867437 /nfs/dbraw/zinc/86/74/37/1018867437.db2.gz QIBURVWWAMUVIS-MRVPVSSYSA-N -1 0 323.392 -0.781 20 0 DBADRM COC(OC)C(=O)N1CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC001606684855 1018867649 /nfs/dbraw/zinc/86/76/49/1018867649.db2.gz MLLGLLWJRXAWNS-UHFFFAOYSA-N -1 0 311.338 -0.024 20 0 DBADRM COC(OC)C(=O)N1CCN(c2ncncc2C(=O)[O-])CC1 ZINC001606683907 1018867724 /nfs/dbraw/zinc/86/77/24/1018867724.db2.gz CKGOURNORZSGOZ-UHFFFAOYSA-N -1 0 310.310 -0.558 20 0 DBADRM CO[C@]1(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])CCS(=O)(=O)C1 ZINC001606690430 1018867806 /nfs/dbraw/zinc/86/78/06/1018867806.db2.gz PEPKLLYUVBKCQM-ZWNOBZJWSA-N -1 0 319.379 -0.193 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C)O2)C1 ZINC001606691284 1018868362 /nfs/dbraw/zinc/86/83/62/1018868362.db2.gz KXLCOYCPIGFBGW-ISTVAULSSA-N -1 0 314.338 -0.628 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2nccs2)C1 ZINC001606695550 1018868423 /nfs/dbraw/zinc/86/84/23/1018868423.db2.gz DFJMLDXSILWJSZ-LBPRGKRZSA-N -1 0 313.335 -0.539 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2cscn2)C1 ZINC001606696664 1018868527 /nfs/dbraw/zinc/86/85/27/1018868527.db2.gz MJBWOWXCRJVNPS-LBPRGKRZSA-N -1 0 313.335 -0.539 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC[C@H]2CCCO2)C1 ZINC001606695403 1018868539 /nfs/dbraw/zinc/86/85/39/1018868539.db2.gz BYWMLJIQJNMHSA-YGRLFVJLSA-N -1 0 314.338 -0.626 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@](C)(O)Cn2ccccc2=O)C1 ZINC001606696689 1018868815 /nfs/dbraw/zinc/86/88/15/1018868815.db2.gz NAWQFOMTXCMJSX-CABCVRRESA-N -1 0 324.333 -0.699 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCCOCC2)C1 ZINC001606691573 1018869087 /nfs/dbraw/zinc/86/90/87/1018869087.db2.gz ONGJHQQIKUNCQO-QMTHXVAHSA-N -1 0 314.338 -0.626 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001606701235 1018869374 /nfs/dbraw/zinc/86/93/74/1018869374.db2.gz ZRDTWKHXPSVJMG-CQSZACIVSA-N -1 0 317.305 -0.022 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C2=CS(=O)(=O)CCC2)C1 ZINC001606697465 1018869550 /nfs/dbraw/zinc/86/95/50/1018869550.db2.gz VWPULMUUXZBCOD-GFCCVEGCSA-N -1 0 303.336 -0.219 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001606698192 1018869782 /nfs/dbraw/zinc/86/97/82/1018869782.db2.gz UFNDCILOCVXYJO-BFVZDQMLSA-N -1 0 314.338 -0.498 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2ccccc2C(N)=O)C1 ZINC001606702695 1018869993 /nfs/dbraw/zinc/86/99/93/1018869993.db2.gz FRFJJOYVFGRHKL-HNNXBMFYSA-N -1 0 321.333 -0.101 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001606700499 1018870339 /nfs/dbraw/zinc/87/03/39/1018870339.db2.gz MRNZBEVVBFFKBD-CYBMUJFWSA-N -1 0 306.278 -0.249 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CN2CCCCC(=O)C2=O)C1 ZINC001606698228 1018870608 /nfs/dbraw/zinc/87/06/08/1018870608.db2.gz UROPXUZOQMSXJD-AWEZNQCLSA-N -1 0 312.322 -0.730 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnnn2[C@@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC001606706719 1018871080 /nfs/dbraw/zinc/87/10/80/1018871080.db2.gz QHYMRDRSDHGESR-WTBMIXGQSA-N -1 0 309.326 -0.155 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)CCOC1 ZINC001606713973 1018871664 /nfs/dbraw/zinc/87/16/64/1018871664.db2.gz CIKQFMHOKOVFIP-RULNRJAQSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC001606705374 1018871740 /nfs/dbraw/zinc/87/17/40/1018871740.db2.gz CARKXWCXYFSSBX-ZDUSSCGKSA-N -1 0 307.310 -0.256 20 0 DBADRM O=C(Cc1ccoc1)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001501774214 1018871849 /nfs/dbraw/zinc/87/18/49/1018871849.db2.gz ZKKMEWCFMZTNFP-LLVKDONJSA-N -1 0 321.337 -0.337 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)CCOC1 ZINC001606715080 1018872123 /nfs/dbraw/zinc/87/21/23/1018872123.db2.gz ZAIKVQBJGFSHNL-AWEZNQCLSA-N -1 0 314.338 -0.769 20 0 DBADRM COC1(OC)CC(Cn2nnnc2N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001606722339 1018872433 /nfs/dbraw/zinc/87/24/33/1018872433.db2.gz GOVVVXURSSMTHC-SNVBAGLBSA-N -1 0 311.342 -0.017 20 0 DBADRM CO[C@H]1CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001606735590 1018873017 /nfs/dbraw/zinc/87/30/17/1018873017.db2.gz OLQILKGNLXBJJA-VPOLOUISSA-N -1 0 314.338 -0.677 20 0 DBADRM CO[C@@]1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001606717599 1018873329 /nfs/dbraw/zinc/87/33/29/1018873329.db2.gz WFHUZFBOKIQEPA-VDDIYKPWSA-N -1 0 320.367 -0.648 20 0 DBADRM CO[C@@H]1CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001606735588 1018873473 /nfs/dbraw/zinc/87/34/73/1018873473.db2.gz OLQILKGNLXBJJA-LMLFDSFASA-N -1 0 314.338 -0.677 20 0 DBADRM CO[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)[C@H](C(=O)[O-])C1 ZINC001606749652 1018874016 /nfs/dbraw/zinc/87/40/16/1018874016.db2.gz FKVOBGLVQPDQBD-BDAKNGLRSA-N -1 0 313.310 -0.981 20 0 DBADRM CO[C@H]1CCN(C(=O)CNC(=O)c2cccnc2)[C@@H](C(=O)[O-])C1 ZINC001606750592 1018874039 /nfs/dbraw/zinc/87/40/39/1018874039.db2.gz MLIRTXWBSUPFND-NWDGAFQWSA-N -1 0 321.333 -0.098 20 0 DBADRM COCC(=O)NCCC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001606774791 1018874784 /nfs/dbraw/zinc/87/47/84/1018874784.db2.gz ZUKNDMACPKLTNW-UHFFFAOYSA-N -1 0 316.354 -0.379 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001606772963 1018874827 /nfs/dbraw/zinc/87/48/27/1018874827.db2.gz ZEIHPNFJGSGYSP-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@H](Cc1ccccc1O)C(=O)[O-] ZINC001606771506 1018874970 /nfs/dbraw/zinc/87/49/70/1018874970.db2.gz FSJKHBNYTRTMQT-LLVKDONJSA-N -1 0 324.333 -0.391 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001606772562 1018875026 /nfs/dbraw/zinc/87/50/26/1018875026.db2.gz YDVLUEKTIUULJA-XWLWVQCSSA-N -1 0 319.379 -0.194 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccsc1C(=O)[O-] ZINC001606771996 1018875230 /nfs/dbraw/zinc/87/52/30/1018875230.db2.gz VMSLUXQLAOUJAS-JGVFFNPUSA-N -1 0 319.360 -0.012 20 0 DBADRM COCC(=O)NCCC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001606774168 1018875653 /nfs/dbraw/zinc/87/56/53/1018875653.db2.gz HPDHQCBJSDLMRH-UWVGGRQHSA-N -1 0 302.327 -0.722 20 0 DBADRM COC[C@@H](CNS(=O)(=O)c1csnc1C(=O)[O-])OC ZINC001606800895 1018879377 /nfs/dbraw/zinc/87/93/77/1018879377.db2.gz XJJGYHWLRDCCME-ZCFIWIBFSA-N -1 0 310.353 -0.219 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccsc1C(=O)[O-] ZINC001606771998 1018875900 /nfs/dbraw/zinc/87/59/00/1018875900.db2.gz VMSLUXQLAOUJAS-YUMQZZPRSA-N -1 0 319.360 -0.012 20 0 DBADRM COCC(=O)N[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21)C(C)C ZINC001606777666 1018877222 /nfs/dbraw/zinc/87/72/22/1018877222.db2.gz XDLZAWFZLCYNOE-OQEOFVATSA-N -1 0 312.366 -0.001 20 0 DBADRM COC[C@](C)(NC(=O)CCC[C@@]1(C)NC(=O)NC1=O)C(=O)[O-] ZINC001606788092 1018877665 /nfs/dbraw/zinc/87/76/65/1018877665.db2.gz QZSDBDDZSQXREE-OLZOCXBDSA-N -1 0 315.326 -0.639 20 0 DBADRM COC[C@](C)(NC(=O)CCC[C@]1(C)NC(=O)NC1=O)C(=O)[O-] ZINC001606788095 1018878004 /nfs/dbraw/zinc/87/80/04/1018878004.db2.gz QZSDBDDZSQXREE-STQMWFEESA-N -1 0 315.326 -0.639 20 0 DBADRM COC[C@](C)(O)CCNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001606792093 1018878013 /nfs/dbraw/zinc/87/80/13/1018878013.db2.gz IGBBHEOQEKZZAY-GIPNMCIBSA-N -1 0 304.343 -0.749 20 0 DBADRM COC[C@](C)(NC(=O)c1cn(Cc2noc(C)n2)nn1)C(=O)[O-] ZINC001606791293 1018878265 /nfs/dbraw/zinc/87/82/65/1018878265.db2.gz NTOXJFIHHMHFBR-LBPRGKRZSA-N -1 0 324.297 -0.763 20 0 DBADRM COC[C@@](C)(O)c1nnc(N2CC[C@](OC)(C(=O)[O-])C2)n1C ZINC001606792678 1018878308 /nfs/dbraw/zinc/87/83/08/1018878308.db2.gz ZFEITKNIGIDPRM-CHWSQXEVSA-N -1 0 314.342 -0.651 20 0 DBADRM COC[C@](C)(O)c1nnc(N2CC[C@](F)(C(=O)[O-])C2)n1C ZINC001606792308 1018878389 /nfs/dbraw/zinc/87/83/89/1018878389.db2.gz MVDSNMURNWTCFU-NWDGAFQWSA-N -1 0 302.306 -0.328 20 0 DBADRM COC[C@@](C)(NC(=O)CCC[C@]1(C)NC(=O)NC1=O)C(=O)[O-] ZINC001606788093 1018878548 /nfs/dbraw/zinc/87/85/48/1018878548.db2.gz QZSDBDDZSQXREE-QWHCGFSZSA-N -1 0 315.326 -0.639 20 0 DBADRM COC[C@@](C)(NC(=O)COCc1nnc(C)s1)C(=O)[O-] ZINC001606787746 1018878940 /nfs/dbraw/zinc/87/89/40/1018878940.db2.gz DSKFKCPABNWVCI-LLVKDONJSA-N -1 0 303.340 -0.031 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CCC[C@H](CF)C1 ZINC001606803247 1018879656 /nfs/dbraw/zinc/87/96/56/1018879656.db2.gz RZCJTUPHGIKEGZ-SECBINFHSA-N -1 0 323.336 -0.151 20 0 DBADRM COC[C@H](CCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])OC ZINC001606799832 1018880785 /nfs/dbraw/zinc/88/07/85/1018880785.db2.gz PVZULIJWEIILBF-QMMMGPOBSA-N -1 0 321.355 -0.254 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O)C(=O)[O-] ZINC001606806640 1018881116 /nfs/dbraw/zinc/88/11/16/1018881116.db2.gz XTZYJEVDURSRPX-NXEZZACHSA-N -1 0 322.383 -0.738 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1COCCN1C1CCCC1)C(=O)[O-] ZINC001606806274 1018881637 /nfs/dbraw/zinc/88/16/37/1018881637.db2.gz LTMFAHJLOIYIGO-NEPJUHHUSA-N -1 0 300.355 -0.154 20 0 DBADRM COC[C@@H](NC(=O)c1c(C)oc(C)c1S(N)(=O)=O)C(=O)[O-] ZINC001606813967 1018881643 /nfs/dbraw/zinc/88/16/43/1018881643.db2.gz XCGALUZBSKUOJK-SSDOTTSWSA-N -1 0 320.323 -0.627 20 0 DBADRM COC[C@H](NC(=O)c1nn(C)c(=O)c2ccccc21)C(=O)[O-] ZINC001606815033 1018881762 /nfs/dbraw/zinc/88/17/62/1018881762.db2.gz NXRRNILIJYMYOA-JTQLQIEISA-N -1 0 305.290 -0.237 20 0 DBADRM COC[C@H](NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-] ZINC001606806323 1018882193 /nfs/dbraw/zinc/88/21/93/1018882193.db2.gz NIXLQXSKBMGUJN-WPRPVWTQSA-N -1 0 323.367 -0.816 20 0 DBADRM COCC1(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CCOCC1 ZINC001606821799 1018882711 /nfs/dbraw/zinc/88/27/11/1018882711.db2.gz KEEMPQPNWQVUNL-QWRGUYRKSA-N -1 0 301.339 -0.276 20 0 DBADRM COC[C@H](OC)C(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001606823699 1018882735 /nfs/dbraw/zinc/88/27/35/1018882735.db2.gz WWEDSQSHGQHMHV-GUBZILKMSA-N -1 0 303.311 -0.487 20 0 DBADRM COC[C@H](NS(=O)(=O)c1c(C)csc1C(=O)[O-])C(N)=O ZINC001606816518 1018882993 /nfs/dbraw/zinc/88/29/93/1018882993.db2.gz ZBDRJCQFLSZURG-LURJTMIESA-N -1 0 322.364 -0.467 20 0 DBADRM COC[C@@H](OC)C(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001606823662 1018883083 /nfs/dbraw/zinc/88/30/83/1018883083.db2.gz WGMAEZJGVZRFNG-VHSXEESVSA-N -1 0 324.337 -0.729 20 0 DBADRM COC[C@@H](OC)C(=O)OCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606823077 1018883184 /nfs/dbraw/zinc/88/31/84/1018883184.db2.gz QUKNSGJYXCPULH-SECBINFHSA-N -1 0 312.278 -0.077 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1c[nH]nc1C(F)(F)F)C(=O)[O-] ZINC001606816296 1018883223 /nfs/dbraw/zinc/88/32/23/1018883223.db2.gz VIRVHYUJGZUECN-SCSAIBSYSA-N -1 0 317.245 -0.194 20 0 DBADRM COCC1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CCC1 ZINC001606822439 1018883406 /nfs/dbraw/zinc/88/34/06/1018883406.db2.gz VWWHEYOYPPVSEK-TVQRCGJNSA-N -1 0 319.379 -0.193 20 0 DBADRM COCC1(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CCOCC1 ZINC001606821800 1018883495 /nfs/dbraw/zinc/88/34/95/1018883495.db2.gz KEEMPQPNWQVUNL-WDEREUQCSA-N -1 0 301.339 -0.276 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CC[C@@H](C(=O)OC)O1 ZINC001606829756 1018883901 /nfs/dbraw/zinc/88/39/01/1018883901.db2.gz WYNFCGQLBMLLNO-BFVZDQMLSA-N -1 0 315.322 -0.201 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(C(N)=O)nc1 ZINC001606833167 1018884236 /nfs/dbraw/zinc/88/42/36/1018884236.db2.gz LBFPVCQWLKHWQK-AWEZNQCLSA-N -1 0 307.306 -0.114 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC001606847178 1018886011 /nfs/dbraw/zinc/88/60/11/1018886011.db2.gz NRJWZMXLPXHPQU-UHFFFAOYSA-N -1 0 305.229 -0.388 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])no2)C[C@@H](C)O1 ZINC001606848159 1018887440 /nfs/dbraw/zinc/88/74/40/1018887440.db2.gz MHJURMWODIIBLM-HTQZYQBOSA-N -1 0 320.323 -0.203 20 0 DBADRM COCC[C@@](C)(O)CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001606853070 1018887638 /nfs/dbraw/zinc/88/76/38/1018887638.db2.gz ZMXCRIOJZSZKNW-JFGNBEQYSA-N -1 0 309.384 -0.053 20 0 DBADRM COC[C@@H]1COCCN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC001606850135 1018887722 /nfs/dbraw/zinc/88/77/22/1018887722.db2.gz QURFNGNZZKYBET-SSDOTTSWSA-N -1 0 322.364 -0.123 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC001606847451 1018887899 /nfs/dbraw/zinc/88/78/99/1018887899.db2.gz BTGKQEIKSMQKAI-NAKRPEOUSA-N -1 0 314.338 -0.772 20 0 DBADRM COCCC(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001606851259 1018888041 /nfs/dbraw/zinc/88/80/41/1018888041.db2.gz NAZHTXAKGRQMGG-UWVGGRQHSA-N -1 0 324.337 -0.733 20 0 DBADRM COC[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001606850409 1018888096 /nfs/dbraw/zinc/88/80/96/1018888096.db2.gz UDZQYTMSQKIIQW-SNVBAGLBSA-N -1 0 318.351 -0.241 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001606852635 1018888362 /nfs/dbraw/zinc/88/83/62/1018888362.db2.gz PMJMPSMWAUUJFO-GXSJLCMTSA-N -1 0 309.384 -0.101 20 0 DBADRM COCC[C@@H]1COCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC001606864321 1018888723 /nfs/dbraw/zinc/88/87/23/1018888723.db2.gz AQLDCBMUIWRKAX-SNVBAGLBSA-N -1 0 310.372 -0.625 20 0 DBADRM COCC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC001606858716 1018889065 /nfs/dbraw/zinc/88/90/65/1018889065.db2.gz AQDMZABZONOBAB-SSDOTTSWSA-N -1 0 305.308 -0.097 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(N)=O ZINC001606862735 1018889263 /nfs/dbraw/zinc/88/92/63/1018889263.db2.gz DHGJEPPCVFNAGW-SNVBAGLBSA-N -1 0 316.335 -0.447 20 0 DBADRM COCC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001606856733 1018889305 /nfs/dbraw/zinc/88/93/05/1018889305.db2.gz URADUZWKFCJVPP-QMMMGPOBSA-N -1 0 313.310 -0.825 20 0 DBADRM COCC[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)[O-] ZINC001606858965 1018889483 /nfs/dbraw/zinc/88/94/83/1018889483.db2.gz GFKOKFIZNCVBCI-LURJTMIESA-N -1 0 306.296 -0.854 20 0 DBADRM COCC[C@H](NC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(=O)[O-] ZINC001606858920 1018889571 /nfs/dbraw/zinc/88/95/71/1018889571.db2.gz SOBZJOBXNNMFCC-JTQLQIEISA-N -1 0 322.321 -0.521 20 0 DBADRM COCC[C@H](NC(=O)c1cc2c(cn1)nc[nH]c2=O)C(=O)[O-] ZINC001606857055 1018889600 /nfs/dbraw/zinc/88/96/00/1018889600.db2.gz QNLHFGZRQFDGIW-QMMMGPOBSA-N -1 0 306.278 -0.050 20 0 DBADRM COCC[C@H](NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC001606855418 1018889722 /nfs/dbraw/zinc/88/97/22/1018889722.db2.gz VRMUCCMNJPGVGJ-UWVGGRQHSA-N -1 0 319.379 -0.193 20 0 DBADRM COCCCN(CCO)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001606870062 1018890099 /nfs/dbraw/zinc/89/00/99/1018890099.db2.gz RKKKDNLXEKJNRX-MNOVXSKESA-N -1 0 309.384 -0.100 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001606880904 1018892172 /nfs/dbraw/zinc/89/21/72/1018892172.db2.gz OTJLKARFTJPHIU-NXEZZACHSA-N -1 0 310.372 -0.579 20 0 DBADRM COCCN1C[C@@H](C(=O)NCc2ocnc2C(=O)[O-])CC1=O ZINC001606893779 1018892700 /nfs/dbraw/zinc/89/27/00/1018892700.db2.gz UAFHFARCNHJNEF-QMMMGPOBSA-N -1 0 311.294 -0.516 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)CN1CCCCC(=O)C1=O ZINC001606885130 1018892798 /nfs/dbraw/zinc/89/27/98/1018892798.db2.gz MTNWQUHSCLRJDV-UHFFFAOYSA-N -1 0 314.338 -0.482 20 0 DBADRM COCCN1CC[C@@H](NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001606894677 1018892809 /nfs/dbraw/zinc/89/28/09/1018892809.db2.gz CMKIKAZKIGUVQF-UTUOFQBUSA-N -1 0 320.411 -0.120 20 0 DBADRM COCCNC(=O)C1(NS(=O)(=O)CCCC(=O)[O-])CC1 ZINC001606895792 1018893798 /nfs/dbraw/zinc/89/37/98/1018893798.db2.gz QNPYRTWMWLKCBM-UHFFFAOYSA-N -1 0 308.356 -0.934 20 0 DBADRM COCCN1CCN(C(=O)c2ccc(C(=O)[O-])n2C)CC1=O ZINC001606895545 1018894127 /nfs/dbraw/zinc/89/41/27/1018894127.db2.gz QUZWXXHCTGXRRY-UHFFFAOYSA-N -1 0 309.322 -0.346 20 0 DBADRM COCCOCCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001606904275 1018894212 /nfs/dbraw/zinc/89/42/12/1018894212.db2.gz HOGLIJQJZRUPFF-UHFFFAOYSA-N -1 0 313.310 -0.559 20 0 DBADRM COCCOC1CN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1 ZINC001606900324 1018894376 /nfs/dbraw/zinc/89/43/76/1018894376.db2.gz FLBHOAXGMKIJJN-NSHDSACASA-N -1 0 314.338 -0.817 20 0 DBADRM COCCOC[C@H](C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606903396 1018894566 /nfs/dbraw/zinc/89/45/66/1018894566.db2.gz JTZCWWSEPYLEFI-WDEREUQCSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCc1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)n(C)n1 ZINC001606922537 1018894923 /nfs/dbraw/zinc/89/49/23/1018894923.db2.gz TZHFJCQAHBFKDI-UHFFFAOYSA-N -1 0 324.337 -0.472 20 0 DBADRM COCCn1c(-c2cn(C)nn2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001606928350 1018894945 /nfs/dbraw/zinc/89/49/45/1018894945.db2.gz WDIFYCYRRAQZLA-SECBINFHSA-N -1 0 321.341 -0.369 20 0 DBADRM COCCOCCN(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001606904569 1018895103 /nfs/dbraw/zinc/89/51/03/1018895103.db2.gz OLEKQBDPJJIXCP-UWVGGRQHSA-N -1 0 319.358 -0.731 20 0 DBADRM COCCOCCc1ncc(C(=O)N[C@@](C)(CO)C(=O)[O-])[nH]1 ZINC001606906364 1018895548 /nfs/dbraw/zinc/89/55/48/1018895548.db2.gz FDDODUSOBWOZLB-ZDUSSCGKSA-N -1 0 315.326 -0.819 20 0 DBADRM COCCOCCNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606904903 1018895981 /nfs/dbraw/zinc/89/59/81/1018895981.db2.gz WTYYQZACCKXDBA-AOOOYVTPSA-N -1 0 302.327 -0.913 20 0 DBADRM COCCn1c([C@H](C)O)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001606929512 1018896427 /nfs/dbraw/zinc/89/64/27/1018896427.db2.gz QTIKNZDIEMJGGV-IUCAKERBSA-N -1 0 300.315 -0.732 20 0 DBADRM COCCn1cc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)nn1 ZINC001606929813 1018896498 /nfs/dbraw/zinc/89/64/98/1018896498.db2.gz YUAXJGXRYVWJOF-NSHDSACASA-N -1 0 312.326 -0.778 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1scc(C(=O)[O-])c1C ZINC001606937725 1018896903 /nfs/dbraw/zinc/89/69/03/1018896903.db2.gz IPXRPUBWDZGWAS-ZETCQYMHSA-N -1 0 316.335 -0.183 20 0 DBADRM COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001606936952 1018897287 /nfs/dbraw/zinc/89/72/87/1018897287.db2.gz IKCLFPXHJBAXTE-QMMMGPOBSA-N -1 0 314.269 -0.414 20 0 DBADRM COCCn1cc(C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)ccc1=O ZINC001606929799 1018897425 /nfs/dbraw/zinc/89/74/25/1018897425.db2.gz YIWCQRFJFWDMRO-HNNXBMFYSA-N -1 0 324.333 -0.190 20 0 DBADRM COCc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)ncn1 ZINC001606941617 1018898136 /nfs/dbraw/zinc/89/81/36/1018898136.db2.gz LMSQAXIOCODUKB-NEPJUHHUSA-N -1 0 320.349 -0.008 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606938929 1018898856 /nfs/dbraw/zinc/89/88/56/1018898856.db2.gz MPKMLYXLQSAWNH-RNFRBKRXSA-N -1 0 306.296 -0.857 20 0 DBADRM COCc1ccccc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001606968952 1018899002 /nfs/dbraw/zinc/89/90/02/1018899002.db2.gz SWQNJJJGRGOTGG-JTQLQIEISA-N -1 0 310.306 -0.277 20 0 DBADRM COCc1nnc2n1CCN([C@@H]1CCN(CCC(=O)[O-])C1=O)C2 ZINC001606981310 1018899979 /nfs/dbraw/zinc/89/99/79/1018899979.db2.gz KSTAOYHPGJKRHW-SNVBAGLBSA-N -1 0 323.353 -0.684 20 0 DBADRM CON(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001606990248 1018900190 /nfs/dbraw/zinc/90/01/90/1018900190.db2.gz RDUYMUAGZFJQCK-ZCFIWIBFSA-N -1 0 306.296 -0.336 20 0 DBADRM COCn1nccc1S(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001606984524 1018900479 /nfs/dbraw/zinc/90/04/79/1018900479.db2.gz LFWLHOOWJDYWLH-MBTKJCJQSA-N -1 0 301.324 -0.562 20 0 DBADRM COCc1nc(NC(=O)[C@H]2CN(C)C(=O)N2)sc1C(=O)[O-] ZINC001606976544 1018900539 /nfs/dbraw/zinc/90/05/39/1018900539.db2.gz QSZSTXPYMBEALX-RXMQYKEDSA-N -1 0 314.323 -0.050 20 0 DBADRM COCn1nccc1S(=O)(=O)N[C@](C)(CCF)C(=O)[O-] ZINC001606986024 1018901779 /nfs/dbraw/zinc/90/17/79/1018901779.db2.gz YVPIFMUHTURMQC-SNVBAGLBSA-N -1 0 309.319 -0.032 20 0 DBADRM COCc1ncc2c(n1)CCN(Cn1cc(C(=O)[O-])nn1)C2 ZINC001606977763 1018901812 /nfs/dbraw/zinc/90/18/12/1018901812.db2.gz CLYBAIUGHRSEEK-UHFFFAOYSA-N -1 0 304.310 -0.072 20 0 DBADRM COCc1nnc2n1CCN(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C2 ZINC001606981998 1018902098 /nfs/dbraw/zinc/90/20/98/1018902098.db2.gz STMUAPZBKUUMJV-KYZUINATSA-N -1 0 309.326 -0.187 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001606989733 1018902347 /nfs/dbraw/zinc/90/23/47/1018902347.db2.gz DAURSGRJBPYDCX-UHFFFAOYSA-N -1 0 306.296 -0.416 20 0 DBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001606999923 1018905537 /nfs/dbraw/zinc/90/55/37/1018905537.db2.gz MFEFAKVPQKRVAA-VXNVDRBHSA-N -1 0 305.308 -0.022 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001607000042 1018905925 /nfs/dbraw/zinc/90/59/25/1018905925.db2.gz PRODTIIFXOFXFG-VXGBXAGGSA-N -1 0 322.317 -0.218 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001606999684 1018906461 /nfs/dbraw/zinc/90/64/61/1018906461.db2.gz CQRRCSBFHFGEME-HTQZYQBOSA-N -1 0 314.319 -0.085 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)C[C@H]1O ZINC001606999082 1018906506 /nfs/dbraw/zinc/90/65/06/1018906506.db2.gz BDXBZUMRKLQDON-GHMZBOCLSA-N -1 0 316.335 -0.532 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001607009428 1018907564 /nfs/dbraw/zinc/90/75/64/1018907564.db2.gz CHHXHUNXYXCJSM-IYSWYEEDSA-N -1 0 313.266 -0.884 20 0 DBADRM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCNC(=O)C1 ZINC001607039775 1018916407 /nfs/dbraw/zinc/91/64/07/1018916407.db2.gz OHURPPHAJFGUEL-SECBINFHSA-N -1 0 302.294 -0.197 20 0 DBADRM O=CN1CCC[C@H]1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001607056006 1018927823 /nfs/dbraw/zinc/92/78/23/1018927823.db2.gz HXILLLBXJTUSHG-NSHDSACASA-N -1 0 302.294 -0.103 20 0 DBADRM C/C(=C/C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001502040875 1018938225 /nfs/dbraw/zinc/93/82/25/1018938225.db2.gz DLKQFDXSMSYGKX-GRKOMRHMSA-N -1 0 321.337 -0.126 20 0 DBADRM COc1cc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])ccc1O ZINC001607074267 1018946863 /nfs/dbraw/zinc/94/68/63/1018946863.db2.gz WGDDNKDBXFJHQZ-VIFPVBQESA-N -1 0 306.278 -0.125 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1CCC(O)CC1 ZINC001607074626 1018950604 /nfs/dbraw/zinc/95/06/04/1018950604.db2.gz QCXDPAJWDKSUBI-UHFFFAOYSA-N -1 0 310.339 -0.593 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1Cc1nccn1C(F)F ZINC001607088043 1018951614 /nfs/dbraw/zinc/95/16/14/1018951614.db2.gz ANASECIWDPRMPB-UHFFFAOYSA-N -1 0 310.224 -0.231 20 0 DBADRM O=c1c(-c2nnn[n-]2)cnc2ncn(CCOCC3CC3)n21 ZINC001607089702 1018957780 /nfs/dbraw/zinc/95/77/80/1018957780.db2.gz IYFAUVIHYZBOBY-UHFFFAOYSA-N -1 0 302.298 -0.502 20 0 DBADRM O=c1[n-]c([C@@H]2CCCN(c3cc(-c4nn[nH]n4)ncn3)C2)n[nH]1 ZINC001607090601 1018960723 /nfs/dbraw/zinc/96/07/23/1018960723.db2.gz OMCQRWVYFQNVHT-SSDOTTSWSA-N -1 0 314.313 -0.136 20 0 DBADRM O=c1c(-c2nnn[n-]2)cc(CN2CCOCC2)cn1CCF ZINC001607088978 1018961317 /nfs/dbraw/zinc/96/13/17/1018961317.db2.gz DFFSJAATRRAGSO-UHFFFAOYSA-N -1 0 308.317 -0.170 20 0 DBADRM O=c1c(-c2nnn[n-]2)cn(CCO)c(=O)n1CC1=CCCC1 ZINC001607091179 1018961819 /nfs/dbraw/zinc/96/18/19/1018961819.db2.gz ACBKDFUEAVUZGY-UHFFFAOYSA-N -1 0 304.310 -0.707 20 0 DBADRM COc1cc(C(=O)[O-])cc(NC(=O)CN2CCNC(=O)C2)c1O ZINC001607092951 1018962180 /nfs/dbraw/zinc/96/21/80/1018962180.db2.gz OUYFQMKYEOHGLP-UHFFFAOYSA-N -1 0 323.305 -0.531 20 0 DBADRM O=c1c(-c2nnn[n-]2)ccc(C(F)(F)F)n1C[C@H](O)CO ZINC001607092136 1018962328 /nfs/dbraw/zinc/96/23/28/1018962328.db2.gz OZADRXSZTWQJAU-YFKPBYRVSA-N -1 0 305.216 -0.600 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CC[C@H](O)C1 ZINC001607121032 1018973798 /nfs/dbraw/zinc/97/37/98/1018973798.db2.gz JBLVVHUHKVJAME-VIFPVBQESA-N -1 0 308.290 -0.075 20 0 DBADRM c1cnc(N2CCN(c3ccnc(-c4nnn[n-]4)n3)CC2)nc1 ZINC001607134523 1018974290 /nfs/dbraw/zinc/97/42/90/1018974290.db2.gz HLJMXOZMJHETBC-UHFFFAOYSA-N -1 0 310.325 -0.227 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC=CC1 ZINC001502081890 1018979461 /nfs/dbraw/zinc/97/94/61/1018979461.db2.gz BQOAXWMPTMXFOU-SSDOTTSWSA-N -1 0 307.310 -0.517 20 0 DBADRM COc1cc(S(=O)(=O)N2CC(C(N)=O)C2)ccc1C(=O)[O-] ZINC001607189728 1018980038 /nfs/dbraw/zinc/98/00/38/1018980038.db2.gz VKILPOJADQNYSA-UHFFFAOYSA-N -1 0 314.319 -0.501 20 0 DBADRM COc1cc(NC(=O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)ncn1 ZINC001607170901 1018981402 /nfs/dbraw/zinc/98/14/02/1018981402.db2.gz JZLIIXAGMJGTDM-CYBMUJFWSA-N -1 0 324.293 -0.826 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)ncn1 ZINC001607170648 1018982201 /nfs/dbraw/zinc/98/22/01/1018982201.db2.gz GVGMHANAUCBIAZ-JGVFFNPUSA-N -1 0 308.294 -0.255 20 0 DBADRM COc1ccc(S(=O)(=O)NCCOCCO)c(C(=O)[O-])c1 ZINC001607287951 1018983085 /nfs/dbraw/zinc/98/30/85/1018983085.db2.gz MDUCTCYIHWHXBL-UHFFFAOYSA-N -1 0 319.335 -0.319 20 0 DBADRM COc1ccc2nc(CN3CCNC(=O)[C@@H]3CC(=O)[O-])[nH]c2n1 ZINC001607300711 1018983864 /nfs/dbraw/zinc/98/38/64/1018983864.db2.gz SFZFFPNBZCILAD-VIFPVBQESA-N -1 0 319.321 -0.258 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001607277605 1018984267 /nfs/dbraw/zinc/98/42/67/1018984267.db2.gz KCLGPQSQKQLHSC-ZETCQYMHSA-N -1 0 305.308 -0.485 20 0 DBADRM COc1ccc(CNC(=O)N[C@@H]2COC[C@H]2O)cc1C(=O)[O-] ZINC001607257795 1018984662 /nfs/dbraw/zinc/98/46/62/1018984662.db2.gz KGKKWDLKUGEUDB-GHMZBOCLSA-N -1 0 310.306 -0.048 20 0 DBADRM COc1ccc(CCC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])cn1 ZINC001607246131 1018984708 /nfs/dbraw/zinc/98/47/08/1018984708.db2.gz PRZSBNDUPRVBFP-NSHDSACASA-N -1 0 319.321 -0.116 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1 ZINC001607270861 1018985219 /nfs/dbraw/zinc/98/52/19/1018985219.db2.gz UBKINXPRIPWMCH-PSASIEDQSA-N -1 0 323.305 -0.677 20 0 DBADRM COc1cccc(C[C@H](O)C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC001607321730 1018985303 /nfs/dbraw/zinc/98/53/03/1018985303.db2.gz MKWWYQVYXQKMST-STQMWFEESA-N -1 0 309.318 -0.089 20 0 DBADRM COc1ccc(CN2CC[C@@H]2C(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC001607253634 1018985362 /nfs/dbraw/zinc/98/53/62/1018985362.db2.gz LTXPSWRDMSHTHN-OLZOCXBDSA-N -1 0 308.334 -0.169 20 0 DBADRM COc1cccc(OC)c1S(=O)(=O)NC[C@@H](O)CC(=O)[O-] ZINC001607328361 1018986278 /nfs/dbraw/zinc/98/62/78/1018986278.db2.gz XLFXAGFKZKHWMU-QMMMGPOBSA-N -1 0 319.335 -0.182 20 0 DBADRM COc1cncc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c1C ZINC001607353624 1018986298 /nfs/dbraw/zinc/98/62/98/1018986298.db2.gz WJNZNVCFOHWLSP-JTQLQIEISA-N -1 0 307.306 -0.234 20 0 DBADRM COc1coc(CN2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cc1=O ZINC001607354917 1018986373 /nfs/dbraw/zinc/98/63/73/1018986373.db2.gz HAJKJKAMVUPHEK-MNOVXSKESA-N -1 0 322.317 -0.331 20 0 DBADRM COc1ccnc(NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)n1 ZINC001607351209 1018986908 /nfs/dbraw/zinc/98/69/08/1018986908.db2.gz WLJNWEZBRDJLPM-WRWORJQWSA-N -1 0 301.324 -0.215 20 0 DBADRM COc1cncc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1 ZINC001607356293 1018987150 /nfs/dbraw/zinc/98/71/50/1018987150.db2.gz PWDPIFPIJGPOKL-SFYZADRCSA-N -1 0 324.293 -0.876 20 0 DBADRM COc1ccnc(N2CCN(C(=O)COCC(=O)[O-])CC2)n1 ZINC001607350849 1018987527 /nfs/dbraw/zinc/98/75/27/1018987527.db2.gz HZIZLTJAUOVXDE-UHFFFAOYSA-N -1 0 310.310 -0.765 20 0 DBADRM COc1cccnc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001607347642 1018988267 /nfs/dbraw/zinc/98/82/67/1018988267.db2.gz AFURTSUEGKANHN-QMMMGPOBSA-N -1 0 314.319 -0.586 20 0 DBADRM CS(=O)(=O)CC1(C(=O)N2CC[C@](F)(C(=O)[O-])C2)COC1 ZINC001607366199 1018989409 /nfs/dbraw/zinc/98/94/09/1018989409.db2.gz FQLUQDVHNNLILT-LLVKDONJSA-N -1 0 309.315 -0.927 20 0 DBADRM CS(=O)(=O)CC1(C(=O)NCc2nc(C(=O)[O-])co2)COC1 ZINC001607365964 1018990109 /nfs/dbraw/zinc/99/01/09/1018990109.db2.gz AIYYYSXQWJFJEV-UHFFFAOYSA-N -1 0 318.307 -0.950 20 0 DBADRM COc1nccc(CN2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001607361493 1018990726 /nfs/dbraw/zinc/99/07/26/1018990726.db2.gz XPZNZCJAXZLZMJ-NEPJUHHUSA-N -1 0 320.349 -0.246 20 0 DBADRM COc1nccc(CN2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001607361494 1018991317 /nfs/dbraw/zinc/99/13/17/1018991317.db2.gz XPZNZCJAXZLZMJ-NWDGAFQWSA-N -1 0 320.349 -0.246 20 0 DBADRM COc1cncc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001607356328 1018991559 /nfs/dbraw/zinc/99/15/59/1018991559.db2.gz RMISPFAIHUPFQA-IUCAKERBSA-N -1 0 316.335 -0.454 20 0 DBADRM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001607366030 1018991675 /nfs/dbraw/zinc/99/16/75/1018991675.db2.gz ARSOUYPHSLEWQQ-BDAKNGLRSA-N -1 0 320.367 -0.817 20 0 DBADRM CS(=O)(=O)CC1(NC(=O)CCSCC(=O)[O-])COC1 ZINC001607368795 1018992866 /nfs/dbraw/zinc/99/28/66/1018992866.db2.gz FFVMNYZCEUHMNW-UHFFFAOYSA-N -1 0 311.381 -0.876 20 0 DBADRM CS(=O)(=O)CC1(C(=O)NC[C@H](CC2CC2)C(=O)[O-])COC1 ZINC001607366493 1018992979 /nfs/dbraw/zinc/99/29/79/1018992979.db2.gz LARYSQLWJZAFRR-JTQLQIEISA-N -1 0 319.379 -0.335 20 0 DBADRM CS(=O)(=O)CCCC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001607369509 1018993516 /nfs/dbraw/zinc/99/35/16/1018993516.db2.gz GFXNCFWIEHJOQS-VIFPVBQESA-N -1 0 323.367 -0.466 20 0 DBADRM CS(=O)(=O)CCN1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001607370915 1018993158 /nfs/dbraw/zinc/99/31/58/1018993158.db2.gz WUJNGWGYUDRORA-HTQZYQBOSA-N -1 0 304.324 -0.842 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)c1ccsc1CC(=O)[O-] ZINC001607367773 1018993177 /nfs/dbraw/zinc/99/31/77/1018993177.db2.gz ZNMGZYLFOLMAHE-ZETCQYMHSA-N -1 0 321.376 -0.490 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)c1cc(C(=O)[O-])co1 ZINC001607370283 1018993506 /nfs/dbraw/zinc/99/35/06/1018993506.db2.gz JEIWQNIUANAYGR-UHFFFAOYSA-N -1 0 305.308 -0.231 20 0 DBADRM CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC001607367219 1018994169 /nfs/dbraw/zinc/99/41/69/1018994169.db2.gz KSKQRBKRJGXXHY-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001607370993 1018994839 /nfs/dbraw/zinc/99/48/39/1018994839.db2.gz ZDDDJHQPTOCAAO-RKDXNWHRSA-N -1 0 313.397 -0.406 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1nc(C(=O)[O-])co1 ZINC001607371766 1018995481 /nfs/dbraw/zinc/99/54/81/1018995481.db2.gz GFLMHMKFQSAOIQ-QMMMGPOBSA-N -1 0 317.323 -0.587 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607374873 1018995853 /nfs/dbraw/zinc/99/58/53/1018995853.db2.gz LALVCMRXAYQGBM-KXUCPTDWSA-N -1 0 319.383 -0.570 20 0 DBADRM CS(=O)(=O)NCCC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001607373831 1018996178 /nfs/dbraw/zinc/99/61/78/1018996178.db2.gz JRNONXKGMNKOPQ-CABZTGNLSA-N -1 0 304.368 -0.361 20 0 DBADRM CS(=O)(=O)NC[C@H]1COCCN1Cc1occc1C(=O)[O-] ZINC001607374047 1018997367 /nfs/dbraw/zinc/99/73/67/1018997367.db2.gz OTSRIQSPGUQEGD-VIFPVBQESA-N -1 0 318.351 -0.272 20 0 DBADRM CS(=O)(=O)NCCC(=O)NCc1ccccc1CC(=O)[O-] ZINC001607374477 1018997390 /nfs/dbraw/zinc/99/73/90/1018997390.db2.gz XWWXZAQQWAEZMK-UHFFFAOYSA-N -1 0 314.363 -0.131 20 0 DBADRM CS(=O)(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001607375530 1018998321 /nfs/dbraw/zinc/99/83/21/1018998321.db2.gz XCNTZPPKBFNFFP-ZCUBBSJVSA-N -1 0 311.381 -0.654 20 0 DBADRM C[S@@](=O)C1(CNC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CC1 ZINC001607384845 1018998518 /nfs/dbraw/zinc/99/85/18/1018998518.db2.gz LOHCTLOKWKWIEP-CHNSCGDPSA-N -1 0 318.395 -0.235 20 0 DBADRM C[S@](=O)C1(CN2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)CCC1 ZINC001607384180 1018999004 /nfs/dbraw/zinc/99/90/04/1018999004.db2.gz CGBJWBIKDBAVAA-NQVSFSHZSA-N -1 0 314.363 -0.071 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)c2ccsc2C(=O)[O-])C1 ZINC001607375235 1018999314 /nfs/dbraw/zinc/99/93/14/1018999314.db2.gz RDVNQJIDFSKVLF-UHFFFAOYSA-N -1 0 304.349 -0.180 20 0 DBADRM C[S@](=O)C1(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CCC1 ZINC001607384140 1018999388 /nfs/dbraw/zinc/99/93/88/1018999388.db2.gz BJTJAZNLZWAQNZ-IBGZPJMESA-N -1 0 321.380 -0.313 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)Cc1ccco1)C(=O)[O-] ZINC001607377230 1018999465 /nfs/dbraw/zinc/99/94/65/1018999465.db2.gz CTJLHPFWUAVSNF-JOYOIKCWSA-N -1 0 301.320 -0.174 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CC1CSC1)C(=O)[O-] ZINC001607377404 1018999539 /nfs/dbraw/zinc/99/95/39/1018999539.db2.gz MGHVACAJJQKOQS-GZMMTYOYSA-N -1 0 307.393 -0.256 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001607375266 1018999831 /nfs/dbraw/zinc/99/98/31/1018999831.db2.gz RXUQGMHVABYUPF-UHEGKEBESA-N -1 0 316.379 -0.219 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CCOCC1CC1)C(=O)[O-] ZINC001607377366 1018999906 /nfs/dbraw/zinc/99/99/06/1018999906.db2.gz KSZSXWFNTWTSEE-GXFFZTMASA-N -1 0 319.379 -0.193 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CN1CCCC1)C(=O)[O-] ZINC001607377487 1019000327 /nfs/dbraw/zinc/00/03/27/1019000327.db2.gz NPZFTCHKGUMGEP-JOYOIKCWSA-N -1 0 304.368 -0.914 20 0 DBADRM CS(=O)(=O)c1nnc(COC(=O)C2(C(=O)[O-])CC2)s1 ZINC001607385255 1019002460 /nfs/dbraw/zinc/00/24/60/1019002460.db2.gz OOXCSOJFARIWTI-UHFFFAOYSA-N -1 0 306.321 -0.150 20 0 DBADRM C[S@](=O)c1ccc(CC(=O)OCC(=O)NCC(=O)[O-])cc1 ZINC001607385290 1019002604 /nfs/dbraw/zinc/00/26/04/1019002604.db2.gz HAMJRCCQDOLGAI-NRFANRHFSA-N -1 0 313.331 -0.290 20 0 DBADRM CSCCCCNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001607396925 1019002713 /nfs/dbraw/zinc/00/27/13/1019002713.db2.gz QDRZFIXKPVJWOF-UWVGGRQHSA-N -1 0 318.395 -0.460 20 0 DBADRM CS[C@H](CO)[C@H](C)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001607390562 1019003094 /nfs/dbraw/zinc/00/30/94/1019003094.db2.gz VYWNIARTDOVQOW-SGIHWFKDSA-N -1 0 306.384 -0.112 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-] ZINC001607424171 1019004454 /nfs/dbraw/zinc/00/44/54/1019004454.db2.gz MZEIJRKBGLCKIZ-LNLATYFQSA-N -1 0 310.306 -0.422 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001607416443 1019004501 /nfs/dbraw/zinc/00/45/01/1019004501.db2.gz JTCKCSMXNMEIHW-IUCAKERBSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CCNC(=O)Cc1ccccc1)C(=O)[O-] ZINC001607423741 1019004557 /nfs/dbraw/zinc/00/45/57/1019004557.db2.gz CHGHSYWKMZNNCJ-YGRLFVJLSA-N -1 0 308.334 -0.314 20 0 DBADRM CSCC[C@H](OC(=O)[C@H]1CCN(C)S1(=O)=O)C(=O)[O-] ZINC001607396935 1019004917 /nfs/dbraw/zinc/00/49/17/1019004917.db2.gz KGAJUUHPPLYODF-JGVFFNPUSA-N -1 0 311.381 -0.230 20 0 DBADRM C[C@@H](CCNC(=O)c1ncn(C)n1)Nc1ccnc(C(=O)[O-])n1 ZINC001607418925 1019005091 /nfs/dbraw/zinc/00/50/91/1019005091.db2.gz CDOYQKJBAWWDLP-QMMMGPOBSA-N -1 0 319.325 -0.654 20 0 DBADRM CSCC[C@@H](OC(=O)[C@@H]1CCN(C)S1(=O)=O)C(=O)[O-] ZINC001607396936 1019005826 /nfs/dbraw/zinc/00/58/26/1019005826.db2.gz KGAJUUHPPLYODF-SFYZADRCSA-N -1 0 311.381 -0.230 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](O)[C@H]2C)C[C@H]1CC(=O)[O-] ZINC001607428025 1019006311 /nfs/dbraw/zinc/00/63/11/1019006311.db2.gz GEJLZGUEOPSTDE-DDHJBXDOSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(CC3CC3)CC2)C[C@H]1C(=O)[O-] ZINC001607428433 1019006542 /nfs/dbraw/zinc/00/65/42/1019006542.db2.gz JYBJRFXGAGGJEQ-DGCLKSJQSA-N -1 0 323.393 -0.280 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)[O-] ZINC001607424324 1019007145 /nfs/dbraw/zinc/00/71/45/1019007145.db2.gz PSXGMWJJBWFKFW-PELKAZGASA-N -1 0 320.305 -0.868 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)C[C@H]1C(=O)[O-] ZINC001607430333 1019008637 /nfs/dbraw/zinc/00/86/37/1019008637.db2.gz YRJBLDHFOYNODC-KKOKHZNYSA-N -1 0 320.349 -0.405 20 0 DBADRM C[C@@H]1CN(C(=O)NCc2nc(N(C)C)no2)C[C@@H](C(=O)[O-])O1 ZINC001607433545 1019008827 /nfs/dbraw/zinc/00/88/27/1019008827.db2.gz XYNDMGMTXXUTCG-SFYZADRCSA-N -1 0 313.314 -0.481 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC001607432895 1019009025 /nfs/dbraw/zinc/00/90/25/1019009025.db2.gz LKULOQVRCNVCSQ-UTLUCORTSA-N -1 0 320.367 -0.553 20 0 DBADRM C[C@@H]1[C@H](NC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CCS1(=O)=O ZINC001607433774 1019009048 /nfs/dbraw/zinc/00/90/48/1019009048.db2.gz ZBYZATSTBFUCGW-KYXWUPHJSA-N -1 0 320.367 -0.555 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCC(=O)NC2CC2)C[C@@H](C(=O)[O-])O1 ZINC001607433486 1019010525 /nfs/dbraw/zinc/01/05/25/1019010525.db2.gz WYEOPEVXJFIFJO-KOLCDFICSA-N -1 0 313.354 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1CC(=O)[O-] ZINC001607431831 1019010583 /nfs/dbraw/zinc/01/05/83/1019010583.db2.gz VQJFZUDMNIMICG-GHMZBOCLSA-N -1 0 322.365 -0.050 20 0 DBADRM C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001607436568 1019010932 /nfs/dbraw/zinc/01/09/32/1019010932.db2.gz FWSYKYVZYOILBQ-VXNVDRBHSA-N -1 0 317.309 -0.135 20 0 DBADRM C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001607440636 1019011390 /nfs/dbraw/zinc/01/13/90/1019011390.db2.gz YIXVBYWEPSHIOF-ZIQFBCGOSA-N -1 0 310.350 -0.151 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)O[C@H]1C(=O)[O-] ZINC001607439724 1019012187 /nfs/dbraw/zinc/01/21/87/1019012187.db2.gz MAYAFFAPSCGQMA-BZNQNGANSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@H]1CN(Cc2cn(C[C@@H]3CCOC3)nn2)C[C@@H](C(=O)[O-])O1 ZINC001607439049 1019012596 /nfs/dbraw/zinc/01/25/96/1019012596.db2.gz WHDGAPQHFBSUDA-MDZLAQPJSA-N -1 0 310.354 -0.012 20 0 DBADRM C[C@@H]1CN(c2nnnn2CC2CCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001607440795 1019013408 /nfs/dbraw/zinc/01/34/08/1019013408.db2.gz LLWJYKMHDSKNIT-KOLCDFICSA-N -1 0 311.342 -0.222 20 0 DBADRM C[C@]1(CO)CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[C@@]1(C)CO ZINC001607447785 1019013551 /nfs/dbraw/zinc/01/35/51/1019013551.db2.gz QQNYINWVRPDXKN-IOQCUFBNSA-N -1 0 300.355 -0.128 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001607454135 1019014252 /nfs/dbraw/zinc/01/42/52/1019014252.db2.gz RPUGSMAENIAWHR-BDAKNGLRSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@]12CN(CC(N)=O)C[C@@]1(C)CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C2 ZINC001607448916 1019015007 /nfs/dbraw/zinc/01/50/07/1019015007.db2.gz BGWYHSCBLVTVCQ-MMDVMMEASA-N -1 0 309.366 -0.637 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@H](O)c1ccccc1)C(=O)[O-] ZINC001607458499 1019015293 /nfs/dbraw/zinc/01/52/93/1019015293.db2.gz HIFRTAYBCAHXTM-NHCYSSNCSA-N -1 0 323.349 -0.003 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@@](C)(O)C1CC1)C(=O)[O-] ZINC001607458356 1019016275 /nfs/dbraw/zinc/01/62/75/1019016275.db2.gz FINFKPMIDHSEGD-UVPNAGLESA-N -1 0 301.343 -0.576 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cc2n(n1)CCCC2)C(=O)[O-] ZINC001607458377 1019016322 /nfs/dbraw/zinc/01/63/22/1019016322.db2.gz IIDRNSLKRAQCIP-IUCAKERBSA-N -1 0 308.338 -0.073 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cnsn2)C[C@@H](C(=O)[O-])O1 ZINC001607467322 1019019689 /nfs/dbraw/zinc/01/96/89/1019019689.db2.gz RGIYSACKVGPXMG-WDSKDSINSA-N -1 0 300.296 -0.823 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC[C@H]1C(=O)[O-] ZINC001607470810 1019019877 /nfs/dbraw/zinc/01/98/77/1019019877.db2.gz XUHXEEZTRALPSS-UKKRHICBSA-N -1 0 313.354 -0.229 20 0 DBADRM C[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)C[C@]1(C)C(=O)[O-] ZINC001607471251 1019020434 /nfs/dbraw/zinc/02/04/34/1019020434.db2.gz WWGKWWLINLBJKY-QIBSRJKCSA-N -1 0 311.338 -0.114 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)C[C@@H](C(=O)[O-])O1 ZINC001607467583 1019020894 /nfs/dbraw/zinc/02/08/94/1019020894.db2.gz AZLFSGKXVAZFSN-MJDLHHQISA-N -1 0 310.350 -0.008 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001607484284 1019021818 /nfs/dbraw/zinc/02/18/18/1019021818.db2.gz XIFFXFFDMVGFOB-JZYVYDRUSA-N -1 0 307.306 -0.082 20 0 DBADRM Cc1[nH]c(C=O)cc1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001607494838 1019022298 /nfs/dbraw/zinc/02/22/98/1019022298.db2.gz QBQCGWCMPFYZMB-UHFFFAOYSA-N -1 0 323.349 -0.005 20 0 DBADRM Cc1[nH]c(C[NH2+]CCNS(=O)(=O)N(C)C)cc1C(=O)[O-] ZINC001607498082 1019022354 /nfs/dbraw/zinc/02/23/54/1019022354.db2.gz NPMTXPOGHARSJT-UHFFFAOYSA-N -1 0 304.372 -0.493 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCN2C(=O)NC[C@H]2C1 ZINC001607496563 1019023389 /nfs/dbraw/zinc/02/33/89/1019023389.db2.gz YFHADJDJQLRSID-VIFPVBQESA-N -1 0 306.322 -0.087 20 0 DBADRM C[C@H]1CN(c2nnnn2CCN2CCOCC2)C[C@]1(C)C(=O)[O-] ZINC001607479616 1019023408 /nfs/dbraw/zinc/02/34/08/1019023408.db2.gz UCRWKFPDWADSMU-FZMZJTMJSA-N -1 0 324.385 -0.448 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1C(=O)NC2(CC(O)C2)C1=O ZINC001607495286 1019023753 /nfs/dbraw/zinc/02/37/53/1019023753.db2.gz KWGAWXPXXPKAJC-UHFFFAOYSA-N -1 0 321.289 -0.351 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)[C@@H](C)N2CCNCC2=O)n1C ZINC001607513139 1019024801 /nfs/dbraw/zinc/02/48/01/1019024801.db2.gz MXKFPWRJKDNFRT-SNVBAGLBSA-N -1 0 322.365 -0.532 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001607500186 1019025770 /nfs/dbraw/zinc/02/57/70/1019025770.db2.gz NHXGPROIZQZXFJ-SECBINFHSA-N -1 0 302.356 -0.645 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)C(=O)N[C@H]2CO[C@@H](C)C2)n1C ZINC001607512130 1019025888 /nfs/dbraw/zinc/02/58/88/1019025888.db2.gz SYMMJVZJQITQEE-WCBMZHEXSA-N -1 0 323.349 -0.058 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607500167 1019026383 /nfs/dbraw/zinc/02/63/83/1019026383.db2.gz MYIWWRQPJBHMNM-ZYUZMQFOSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1c(C(=O)N[C@@H](CO)C(=O)[O-])nnn1Cc1ccncc1 ZINC001607508409 1019026627 /nfs/dbraw/zinc/02/66/27/1019026627.db2.gz RXZZIPGKCOGEOM-JTQLQIEISA-N -1 0 305.294 -0.795 20 0 DBADRM Cc1c(C(=O)NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cnn1C ZINC001607507942 1019027016 /nfs/dbraw/zinc/02/70/16/1019027016.db2.gz IKONSORMOIOXGU-UWVGGRQHSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1c(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nnn1C ZINC001607508166 1019027044 /nfs/dbraw/zinc/02/70/44/1019027044.db2.gz IRZQYKQVGRQOFR-ZJUUUORDSA-N -1 0 321.337 -0.968 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)NCCN2CCNC2=O)n1C ZINC001607516051 1019027062 /nfs/dbraw/zinc/02/70/62/1019027062.db2.gz VXITZLLBXIQENR-UHFFFAOYSA-N -1 0 323.353 -0.144 20 0 DBADRM Cc1c(NC(=O)C(=O)NCC2(CO)CC2)cnn1CC(=O)[O-] ZINC001607536995 1019027876 /nfs/dbraw/zinc/02/78/76/1019027876.db2.gz LTMYMSSTZBDFQO-UHFFFAOYSA-N -1 0 310.310 -0.897 20 0 DBADRM Cc1c(NC(=O)C(=O)NCc2cc[nH]n2)cnn1CC(=O)[O-] ZINC001607536653 1019029323 /nfs/dbraw/zinc/02/93/23/1019029323.db2.gz KHADYXVAKKFNJF-UHFFFAOYSA-N -1 0 306.282 -0.746 20 0 DBADRM Cc1c(CC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cnn1C ZINC001607526454 1019029345 /nfs/dbraw/zinc/02/93/45/1019029345.db2.gz NMMLDVVZGWZEOQ-VXGBXAGGSA-N -1 0 320.349 -0.681 20 0 DBADRM Cc1c(NS(=O)(=O)N2CCOCC2)cnn1CC(=O)[O-] ZINC001607552038 1019030186 /nfs/dbraw/zinc/03/01/86/1019030186.db2.gz CTGJPRCMSACIHM-UHFFFAOYSA-N -1 0 304.328 -0.735 20 0 DBADRM Cc1cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c2cnn(C)c2n1 ZINC001607573803 1019030522 /nfs/dbraw/zinc/03/05/22/1019030522.db2.gz ZZEURAULAUGRGP-KCJUWKMLSA-N -1 0 304.306 -0.063 20 0 DBADRM Cc1cc(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)ncn1 ZINC001607579075 1019030612 /nfs/dbraw/zinc/03/06/12/1019030612.db2.gz FHZLLHGWSNWZLG-UHFFFAOYSA-N -1 0 316.321 -0.073 20 0 DBADRM Cc1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cnn1 ZINC001607579027 1019031352 /nfs/dbraw/zinc/03/13/52/1019031352.db2.gz CMZSPVFNNQMAPR-NWDGAFQWSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n(C)n1 ZINC001607581078 1019031653 /nfs/dbraw/zinc/03/16/53/1019031653.db2.gz AEUFCDDWJFKCRD-XWLWVQCSSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cnn1 ZINC001607576741 1019031772 /nfs/dbraw/zinc/03/17/72/1019031772.db2.gz JDINUOQBDMCPEO-GHMZBOCLSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1cc(=O)c(C(=O)NCCNc2ccnc(C(=O)[O-])n2)c[nH]1 ZINC001607562016 1019032304 /nfs/dbraw/zinc/03/23/04/1019032304.db2.gz RDQIBFZWENXVMG-UHFFFAOYSA-N -1 0 317.305 -0.565 20 0 DBADRM Cc1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cnn1 ZINC001607576748 1019032595 /nfs/dbraw/zinc/03/25/95/1019032595.db2.gz JDINUOQBDMCPEO-QWRGUYRKSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1cc(CNC(=O)[C@H](C)NS(C)(=O)=O)oc1C(=O)[O-] ZINC001607644201 1019033878 /nfs/dbraw/zinc/03/38/78/1019033878.db2.gz XERWISQPOIJYLP-ZETCQYMHSA-N -1 0 304.324 -0.160 20 0 DBADRM Cc1cc(N(CCN2CCOCC2)CC(=O)[O-])nc(CO)n1 ZINC001607670432 1019036331 /nfs/dbraw/zinc/03/63/31/1019036331.db2.gz XLAKHJGYALONSI-UHFFFAOYSA-N -1 0 310.354 -0.499 20 0 DBADRM Cc1cc(F)c(S(=O)(=O)N(CCO)CCO)cc1C(=O)[O-] ZINC001607659787 1019036652 /nfs/dbraw/zinc/03/66/52/1019036652.db2.gz KUJRDHYXOKDOGK-UHFFFAOYSA-N -1 0 321.326 -0.192 20 0 DBADRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1COC[C@@H]1O ZINC001607661015 1019036687 /nfs/dbraw/zinc/03/66/87/1019036687.db2.gz JTGSYVDUGSXLEV-ZJUUUORDSA-N -1 0 319.310 -0.130 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cn(C)c1=O ZINC001607670281 1019036725 /nfs/dbraw/zinc/03/67/25/1019036725.db2.gz CRLGJHNNHWFMCH-JGZJWPJOSA-N -1 0 321.333 -0.046 20 0 DBADRM Cc1cc(NCC(=O)N2CCOCC2)n2nc(C(=O)[O-])nc2n1 ZINC001607693878 1019037123 /nfs/dbraw/zinc/03/71/23/1019037123.db2.gz JZEVVTKUFXVVLY-UHFFFAOYSA-N -1 0 320.309 -0.598 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001607699239 1019038062 /nfs/dbraw/zinc/03/80/62/1019038062.db2.gz IJQJUWJEYFHJCG-JQWIXIFHSA-N -1 0 324.333 -0.284 20 0 DBADRM Cc1ccc(C(=O)NC[C@H](O)C(=O)[O-])cc1NS(C)(=O)=O ZINC001607732427 1019038825 /nfs/dbraw/zinc/03/88/25/1019038825.db2.gz KGQMVTZPEHLSLQ-JTQLQIEISA-N -1 0 316.335 -0.458 20 0 DBADRM Cc1ccc(-c2nnn(CC(=O)NCC[C@H](O)C(=O)[O-])n2)cc1 ZINC001607721256 1019039739 /nfs/dbraw/zinc/03/97/39/1019039739.db2.gz WXKQGJHLLOLDDO-NSHDSACASA-N -1 0 319.321 -0.400 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@H]2CCCNC2=O)c1[O-] ZINC001502376495 1019040154 /nfs/dbraw/zinc/04/01/54/1019040154.db2.gz MVIFUHDIJPLUIB-APPZFPTMSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)ccc1C(=O)[O-] ZINC001607707659 1019040545 /nfs/dbraw/zinc/04/05/45/1019040545.db2.gz OOVBFHMNMNFMTB-SNVBAGLBSA-N -1 0 314.363 -0.040 20 0 DBADRM Cc1ccc(C(=O)NC[C@@H](O)CC(=O)[O-])cc1S(N)(=O)=O ZINC001607731171 1019041336 /nfs/dbraw/zinc/04/13/36/1019041336.db2.gz ZRITVWWMKIXECQ-VIFPVBQESA-N -1 0 316.335 -0.792 20 0 DBADRM Cc1cccc(N(CC(=O)[O-])C(=O)CCn2ncn(C)c2=O)n1 ZINC001607854351 1019041827 /nfs/dbraw/zinc/04/18/27/1019041827.db2.gz AXEGGYWPDHHEGF-UHFFFAOYSA-N -1 0 319.321 -0.207 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cn1 ZINC001607781821 1019041938 /nfs/dbraw/zinc/04/19/38/1019041938.db2.gz XXLIJFNGUFEEST-NEPJUHHUSA-N -1 0 321.333 -0.700 20 0 DBADRM Cc1cccc(N(CC(=O)[O-])C(=O)c2cn(CC(N)=O)nn2)n1 ZINC001607855003 1019042049 /nfs/dbraw/zinc/04/20/49/1019042049.db2.gz OTAKMQWYTWNZCJ-UHFFFAOYSA-N -1 0 318.293 -0.802 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@@H](CF)C(=O)[O-] ZINC001607838190 1019043633 /nfs/dbraw/zinc/04/36/33/1019043633.db2.gz FFHSFTGJDHLAQB-TVQRCGJNSA-N -1 0 300.286 -0.553 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@H](CF)C(=O)[O-] ZINC001607838189 1019043840 /nfs/dbraw/zinc/04/38/40/1019043840.db2.gz FFHSFTGJDHLAQB-RNCFNFMXSA-N -1 0 300.286 -0.553 20 0 DBADRM Cc1cn(C)nc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001607901551 1019045148 /nfs/dbraw/zinc/04/51/48/1019045148.db2.gz RRXUGBSPNQBHAC-NXEZZACHSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1ccnc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001607892650 1019046792 /nfs/dbraw/zinc/04/67/92/1019046792.db2.gz DJEGFPOQIVOOII-NXEZZACHSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001607916910 1019047912 /nfs/dbraw/zinc/04/79/12/1019047912.db2.gz LWBVWDZXAHJZKQ-NSHDSACASA-N -1 0 303.340 -0.502 20 0 DBADRM Cc1cnn(C)c1NC(=O)C(=O)NCCSCC(=O)[O-] ZINC001607916481 1019048630 /nfs/dbraw/zinc/04/86/30/1019048630.db2.gz DQULLLRAPXSZOW-UHFFFAOYSA-N -1 0 300.340 -0.399 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001607909935 1019049240 /nfs/dbraw/zinc/04/92/40/1019049240.db2.gz JTUVIAALTPZBDL-SFYZADRCSA-N -1 0 313.335 -0.218 20 0 DBADRM Cc1cnn(C)c1C(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001607916656 1019049401 /nfs/dbraw/zinc/04/94/01/1019049401.db2.gz GAKGIFQWROYPED-SECBINFHSA-N -1 0 318.337 -0.131 20 0 DBADRM Cc1nc(N2CCN(C(=O)Cn3cc(C(=O)[O-])cn3)CC2)n[nH]1 ZINC001607936715 1019050759 /nfs/dbraw/zinc/05/07/59/1019050759.db2.gz KAKYAATYTDRVCN-UHFFFAOYSA-N -1 0 319.325 -0.643 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCC[C@]2(O)CCOC2)c1C(=O)[O-] ZINC001607937698 1019050829 /nfs/dbraw/zinc/05/08/29/1019050829.db2.gz DEHJRIFFPGEUNC-NSHDSACASA-N -1 0 319.339 -0.764 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NN1CCS(=O)(=O)CC1 ZINC001607921133 1019051797 /nfs/dbraw/zinc/05/17/97/1019051797.db2.gz HHHUZUUQDSRYTB-UHFFFAOYSA-N -1 0 316.335 -0.410 20 0 DBADRM Cc1nc([C@@H]2COCCN2S(=O)(=O)C[C@@H](C)C(=O)[O-])no1 ZINC001607951947 1019053623 /nfs/dbraw/zinc/05/36/23/1019053623.db2.gz JKTDBWOPBRLNCU-APPZFPTMSA-N -1 0 319.339 -0.198 20 0 DBADRM Cc1nc(C)n(C2CN(S(=O)(=O)CC3(C(=O)[O-])CC3)C2)n1 ZINC001607952353 1019053692 /nfs/dbraw/zinc/05/36/92/1019053692.db2.gz QQSMVTUYEQEZAT-UHFFFAOYSA-N -1 0 314.367 -0.054 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001607938888 1019055145 /nfs/dbraw/zinc/05/51/45/1019055145.db2.gz FACIOOGFOJITKC-SNVBAGLBSA-N -1 0 308.338 -0.049 20 0 DBADRM Cc1n[nH]nc1C(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001607941003 1019055844 /nfs/dbraw/zinc/05/58/44/1019055844.db2.gz MYQRAGNSTKJESG-MRVPVSSYSA-N -1 0 310.310 -0.018 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCNC(=O)C[C@@H]2C)c1C(=O)[O-] ZINC001607940274 1019056224 /nfs/dbraw/zinc/05/62/24/1019056224.db2.gz OJEHXPKDQGPZDO-LURJTMIESA-N -1 0 316.339 -0.685 20 0 DBADRM Cc1nc(C)c(CC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c(=O)[nH]1 ZINC001607947269 1019056284 /nfs/dbraw/zinc/05/62/84/1019056284.db2.gz GRSRKCRTKDOPMG-NXEZZACHSA-N -1 0 309.322 -0.364 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCCNC(=O)[C@@H]2C)c1C(=O)[O-] ZINC001607941099 1019056532 /nfs/dbraw/zinc/05/65/32/1019056532.db2.gz XPQWKIQLQDPKJS-ZETCQYMHSA-N -1 0 316.339 -0.685 20 0 DBADRM Cc1nnc([C@@H]2CCN(S(=O)(=O)N(C)CCC(=O)[O-])C2)[nH]1 ZINC001607952740 1019056575 /nfs/dbraw/zinc/05/65/75/1019056575.db2.gz WMCIVEQUUYWZNL-SECBINFHSA-N -1 0 317.371 -0.446 20 0 DBADRM Cc1nc2c(c(=O)[nH]1)CN(S(=O)(=O)C[C@H](C)C(=O)[O-])C2 ZINC001607967739 1019057294 /nfs/dbraw/zinc/05/72/94/1019057294.db2.gz BNMVSZRBSHLZBC-LURJTMIESA-N -1 0 301.324 -0.143 20 0 DBADRM Cc1ncc(CC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)o1 ZINC001607978340 1019057585 /nfs/dbraw/zinc/05/75/85/1019057585.db2.gz NGHHNRYYVHHBTJ-OAHLLOKOSA-N -1 0 323.349 -0.087 20 0 DBADRM Cc1ncc(Br)c(C(=O)N2CC(O)(C(=O)[O-])C2)n1 ZINC001607975931 1019057617 /nfs/dbraw/zinc/05/76/17/1019057617.db2.gz PTPUHTLHEPEHJF-UHFFFAOYSA-N -1 0 316.111 -0.181 20 0 DBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NC[C@H](O)C(=O)[O-] ZINC001607972079 1019057878 /nfs/dbraw/zinc/05/78/78/1019057878.db2.gz MSNGUEWNQWAIEH-JTQLQIEISA-N -1 0 322.321 -0.454 20 0 DBADRM Cc1nc2n(n1)CCN(S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C2 ZINC001607976818 1019058492 /nfs/dbraw/zinc/05/84/92/1019058492.db2.gz POEMBYZFUCCGIE-DTORHVGOSA-N -1 0 300.340 -0.405 20 0 DBADRM Cc1nc[nH]c(=O)c1CCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001607975808 1019058962 /nfs/dbraw/zinc/05/89/62/1019058962.db2.gz OTQABSJAIQJLOP-NSHDSACASA-N -1 0 319.321 -0.042 20 0 DBADRM Cc1ncccc1CC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607988736 1019060466 /nfs/dbraw/zinc/06/04/66/1019060466.db2.gz IRTRHHIISWYQGK-OLZOCXBDSA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)N[C@](C)(CO)C(=O)[O-] ZINC001607995455 1019061310 /nfs/dbraw/zinc/06/13/10/1019061310.db2.gz BKAUVTVLCJKCJC-CYBMUJFWSA-N -1 0 305.294 -0.464 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-] ZINC001607997991 1019061560 /nfs/dbraw/zinc/06/15/60/1019061560.db2.gz IVZLNEYWAGJWRV-VIFPVBQESA-N -1 0 305.356 -0.461 20 0 DBADRM Cc1ncn(C)c1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607991340 1019062129 /nfs/dbraw/zinc/06/21/29/1019062129.db2.gz XJMYSUORVRPJGJ-WDEREUQCSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)C1CS(=O)(=O)C1 ZINC001608004277 1019062848 /nfs/dbraw/zinc/06/28/48/1019062848.db2.gz HOBJEPAFPWFFKG-UHFFFAOYSA-N -1 0 315.351 -0.755 20 0 DBADRM Cc1nn(CCS(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])c(=O)o1 ZINC001608011582 1019063739 /nfs/dbraw/zinc/06/37/39/1019063739.db2.gz OCTTWDOATPUEDU-VIFPVBQESA-N -1 0 319.339 -0.683 20 0 DBADRM Cc1nn(C)c2c1cnn(Cc1noc(CCC(=O)[O-])n1)c2=O ZINC001608002550 1019063838 /nfs/dbraw/zinc/06/38/38/1019063838.db2.gz IPXYSPZKQAFYCE-UHFFFAOYSA-N -1 0 318.293 -0.113 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001608000275 1019064415 /nfs/dbraw/zinc/06/44/15/1019064415.db2.gz WCUGKCWERZVESF-HZMBPMFUSA-N -1 0 310.354 -0.115 20 0 DBADRM Cc1nn(CCS(=O)(=O)N(C)C(C)(C)CC(=O)[O-])c(=O)o1 ZINC001608012227 1019064482 /nfs/dbraw/zinc/06/44/82/1019064482.db2.gz YCARFZRLWPBIFA-UHFFFAOYSA-N -1 0 321.355 -0.340 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@@H]1CCN(C)C1=O ZINC001608004619 1019065206 /nfs/dbraw/zinc/06/52/06/1019065206.db2.gz OUZOCGOEWCUNLU-JTQLQIEISA-N -1 0 308.338 -0.321 20 0 DBADRM Cc1n[nH]c(=O)c(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1C ZINC001608017993 1019065551 /nfs/dbraw/zinc/06/55/51/1019065551.db2.gz BPGVPQRYQMDKTJ-VHSXEESVSA-N -1 0 324.337 -0.224 20 0 DBADRM Cc1nnccc1C(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608018172 1019065991 /nfs/dbraw/zinc/06/59/91/1019065991.db2.gz SGWBHBLGAFUVFS-MNOVXSKESA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1nnsc1C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608018943 1019066330 /nfs/dbraw/zinc/06/63/30/1019066330.db2.gz OMNLIBXJMKIVLB-JGVFFNPUSA-N -1 0 324.362 -0.054 20 0 DBADRM Cc1nnccc1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001608017739 1019066789 /nfs/dbraw/zinc/06/67/89/1019066789.db2.gz JXMPMWQOZIWXBO-SECBINFHSA-N -1 0 313.335 -0.501 20 0 DBADRM Cc1nnsc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001608018372 1019066924 /nfs/dbraw/zinc/06/69/24/1019066924.db2.gz FERLACRVGDJGIU-RKDXNWHRSA-N -1 0 324.362 -0.150 20 0 DBADRM Cc1noc(C)c1CN1CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC001608022975 1019067070 /nfs/dbraw/zinc/06/70/70/1019067070.db2.gz FHZDEKIMLYZNGR-UHFFFAOYSA-N -1 0 324.381 0.000 20 0 DBADRM Cc1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(=O)[O-])o1 ZINC001608016736 1019067215 /nfs/dbraw/zinc/06/72/15/1019067215.db2.gz VGAUEBVIANEPGI-KUNJHIDRSA-N -1 0 306.322 -0.355 20 0 DBADRM Cc1nnccc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608018170 1019068076 /nfs/dbraw/zinc/06/80/76/1019068076.db2.gz SGWBHBLGAFUVFS-GHMZBOCLSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1oc(CNC(=O)C2CN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC001608047582 1019069267 /nfs/dbraw/zinc/06/92/67/1019069267.db2.gz YSVKSXWZHLJOOX-UHFFFAOYSA-N -1 0 316.335 -0.206 20 0 DBADRM Cc1oc(CNC(=O)CN2CCC(=O)NC2=O)cc1C(=O)[O-] ZINC001608047488 1019069674 /nfs/dbraw/zinc/06/96/74/1019069674.db2.gz UQQUUWPEGALJOK-UHFFFAOYSA-N -1 0 309.278 -0.156 20 0 DBADRM Cc1noc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001608028011 1019069740 /nfs/dbraw/zinc/06/97/40/1019069740.db2.gz NNSXRNRRXYOHBE-ULHKAFAUSA-N -1 0 306.322 -0.355 20 0 DBADRM Cc1oc(CN(C)C(=O)CN2C(=O)CNC2=O)cc1C(=O)[O-] ZINC001608044736 1019070229 /nfs/dbraw/zinc/07/02/29/1019070229.db2.gz WFAUTFDFCKEDDR-UHFFFAOYSA-N -1 0 309.278 -0.204 20 0 DBADRM Cc1oc(CNC(=O)C(=O)NCc2cnn(C)c2)cc1C(=O)[O-] ZINC001608047175 1019070448 /nfs/dbraw/zinc/07/04/48/1019070448.db2.gz IEJLZFFFNMEENF-UHFFFAOYSA-N -1 0 320.305 -0.048 20 0 DBADRM Cc1nonc1CC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001608030802 1019070501 /nfs/dbraw/zinc/07/05/01/1019070501.db2.gz GBIRAZVKSFDHNQ-QMMMGPOBSA-N -1 0 306.282 -0.316 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N2CCC[C@@H](O)C2)cc1C(=O)[O-] ZINC001608051157 1019070922 /nfs/dbraw/zinc/07/09/22/1019070922.db2.gz SHFUVHLITCAMDU-SECBINFHSA-N -1 0 310.306 -0.114 20 0 DBADRM Cn1c2ccccc2n(CCC(=O)N[C@H](CO)C(=O)[O-])c1=O ZINC001608077748 1019071341 /nfs/dbraw/zinc/07/13/41/1019071341.db2.gz HGJBFLAIXSRIFN-SECBINFHSA-N -1 0 307.306 -0.708 20 0 DBADRM Cn1c(=O)[nH]c2cc(C(=O)N3CC[C@@](O)(C(=O)[O-])C3)ccc21 ZINC001608075991 1019071542 /nfs/dbraw/zinc/07/15/42/1019071542.db2.gz MENYXZMGUDSBMS-AWEZNQCLSA-N -1 0 305.290 -0.060 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)ccnc1-2 ZINC001608073763 1019072515 /nfs/dbraw/zinc/07/25/15/1019072515.db2.gz WNDKJIBSJMVPPZ-MRVPVSSYSA-N -1 0 317.305 -0.787 20 0 DBADRM Cc1occc1C(=O)NCCN(CCO)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001608056207 1019072564 /nfs/dbraw/zinc/07/25/64/1019072564.db2.gz WZKKDGCIVQBGHE-RYUDHWBXSA-N -1 0 324.333 -0.141 20 0 DBADRM Cn1nc(Br)nc1CN[C@H]1CCO[C@H]1C(=O)[O-] ZINC001608140356 1019092360 /nfs/dbraw/zinc/09/23/60/1019092360.db2.gz ROHIOPUCKNCDQJ-CAHLUQPWSA-N -1 0 305.132 -0.091 20 0 DBADRM Cn1c(=O)[nH]c2cc(C(=O)NCC(=O)NCC(=O)[O-])ccc21 ZINC001608076498 1019073777 /nfs/dbraw/zinc/07/37/77/1019073777.db2.gz ZFPQBBHHGRLLHN-UHFFFAOYSA-N -1 0 306.278 -0.791 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NC[C@@H](CC(=O)[O-])C2CC2)c1=O ZINC001608077647 1019074047 /nfs/dbraw/zinc/07/40/47/1019074047.db2.gz FHBJRKHRVVSGOH-SNVBAGLBSA-N -1 0 309.322 -0.836 20 0 DBADRM Cn1c(=O)cc(N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)n(C)c1=O ZINC001608091130 1019074842 /nfs/dbraw/zinc/07/48/42/1019074842.db2.gz WZPYRRFVTFLKLH-NSHDSACASA-N -1 0 321.255 -0.073 20 0 DBADRM Cn1c(N2CC[C@](F)(C(=O)[O-])C2)nnc1[C@@]1(C)CNC(=O)C1 ZINC001608090709 1019075263 /nfs/dbraw/zinc/07/52/63/1019075263.db2.gz ANJUPIJZNXRSAZ-CHWSQXEVSA-N -1 0 311.317 -0.404 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001608082133 1019075463 /nfs/dbraw/zinc/07/54/63/1019075463.db2.gz BSVGMDUYCDDWJQ-UHFFFAOYSA-N -1 0 320.305 -0.463 20 0 DBADRM Cn1cc(-c2n[nH]cc2C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cn1 ZINC001608094225 1019076666 /nfs/dbraw/zinc/07/66/66/1019076666.db2.gz FOIJENGNYWAGOU-SCZZXKLOSA-N -1 0 319.321 -0.282 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)n1 ZINC001608099536 1019077089 /nfs/dbraw/zinc/07/70/89/1019077089.db2.gz ZMSRXHSGUNBYDK-RKDXNWHRSA-N -1 0 323.309 -0.761 20 0 DBADRM Cn1cc(C(=O)CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC001608096314 1019077164 /nfs/dbraw/zinc/07/71/64/1019077164.db2.gz CWRGSKMRRIDOBC-UHFFFAOYSA-N -1 0 312.307 -0.392 20 0 DBADRM Cn1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CCC2)nn1 ZINC001608098892 1019077198 /nfs/dbraw/zinc/07/71/98/1019077198.db2.gz YDHOCPHIXBEXGJ-BDAKNGLRSA-N -1 0 321.337 -0.696 20 0 DBADRM Cn1cc(C(=O)C(=O)OCc2noc(CCC(=O)[O-])n2)cn1 ZINC001608096207 1019077240 /nfs/dbraw/zinc/07/72/40/1019077240.db2.gz BIBLFMYGARNDEP-UHFFFAOYSA-N -1 0 308.250 -0.254 20 0 DBADRM Cn1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c(Cl)n1 ZINC001608095906 1019077741 /nfs/dbraw/zinc/07/77/41/1019077741.db2.gz ADTZXSRHVXUXPA-SSDOTTSWSA-N -1 0 300.702 -0.511 20 0 DBADRM Cn1cc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)ccc1=O ZINC001608096327 1019078069 /nfs/dbraw/zinc/07/80/69/1019078069.db2.gz JAXKKWPLJCBTFZ-JTQLQIEISA-N -1 0 317.305 -0.238 20 0 DBADRM Cn1cc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001608098109 1019078104 /nfs/dbraw/zinc/07/81/04/1019078104.db2.gz ILWYFBQJUQVRAW-BMIGLBTASA-N -1 0 323.349 -0.153 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@H]2CC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001608107316 1019079660 /nfs/dbraw/zinc/07/96/60/1019079660.db2.gz PTYHIICJXIGSND-WXYRRYSDSA-N -1 0 307.306 -0.923 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)OCCn1cc(C(=O)[O-])nn1 ZINC001608105709 1019080411 /nfs/dbraw/zinc/08/04/11/1019080411.db2.gz HWWMIFRXKWIQJY-UHFFFAOYSA-N -1 0 307.266 -0.729 20 0 DBADRM Cn1cc(Cl)c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001608115055 1019082182 /nfs/dbraw/zinc/08/21/82/1019082182.db2.gz ZHVAEQMNDUHMFH-SSDOTTSWSA-N -1 0 321.742 -0.603 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCCc2ccnn2C)cc1C(=O)[O-] ZINC001608116131 1019082201 /nfs/dbraw/zinc/08/22/01/1019082201.db2.gz LBPDMKYFFPNEOU-UHFFFAOYSA-N -1 0 319.321 -0.246 20 0 DBADRM Cn1ccc(-c2cc(C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)no2)n1 ZINC001608123051 1019084206 /nfs/dbraw/zinc/08/42/06/1019084206.db2.gz LJHQVWNJYCHSBP-DTWKUNHWSA-N -1 0 320.305 -0.017 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(=O)O[C@@H](C(=O)[O-])C2CC2)cn1 ZINC001608121759 1019084764 /nfs/dbraw/zinc/08/47/64/1019084764.db2.gz BODQKVNQFJVGEY-SNVBAGLBSA-N -1 0 317.323 -0.895 20 0 DBADRM Cn1ccc(C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CCC2)n1 ZINC001608123821 1019085056 /nfs/dbraw/zinc/08/50/56/1019085056.db2.gz UNBJHUMBCFUHOL-ZJUUUORDSA-N -1 0 320.349 -0.091 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@@H](O)[C@H]2CCCO2)cc1C(=O)[O-] ZINC001608121710 1019085989 /nfs/dbraw/zinc/08/59/89/1019085989.db2.gz ZBABWCXCKUDTGO-GHMZBOCLSA-N -1 0 318.351 -0.459 20 0 DBADRM Cn1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001608123886 1019086387 /nfs/dbraw/zinc/08/63/87/1019086387.db2.gz XPRCFXWRCYXLHX-GHMZBOCLSA-N -1 0 321.333 -0.951 20 0 DBADRM Cn1ccnc(NC(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)c1=O ZINC001608129584 1019086613 /nfs/dbraw/zinc/08/66/13/1019086613.db2.gz SOXLCRDVXUQUQR-DTWKUNHWSA-N -1 0 310.310 -0.361 20 0 DBADRM Cn1cnc(-c2nnc3n2CCN(C[C@@](C)(O)C(=O)[O-])C3)c1 ZINC001608131671 1019086743 /nfs/dbraw/zinc/08/67/43/1019086743.db2.gz BOSVSAIRBLUQLC-CYBMUJFWSA-N -1 0 306.326 -0.670 20 0 DBADRM Cn1ccnc(NC(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1=O ZINC001608129590 1019086860 /nfs/dbraw/zinc/08/68/60/1019086860.db2.gz SOXLCRDVXUQUQR-RKDXNWHRSA-N -1 0 310.310 -0.361 20 0 DBADRM Cn1cnc(CCCNC(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001608133928 1019086939 /nfs/dbraw/zinc/08/69/39/1019086939.db2.gz KIQAKQLMFRPCMG-UHFFFAOYSA-N -1 0 322.329 -0.963 20 0 DBADRM Cn1ccc(S(=O)(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)n1 ZINC001608128229 1019086991 /nfs/dbraw/zinc/08/69/91/1019086991.db2.gz WCTLAMNMNLSFLV-RKDXNWHRSA-N -1 0 303.340 -0.564 20 0 DBADRM Cn1ccc(CC(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001608126791 1019087379 /nfs/dbraw/zinc/08/73/79/1019087379.db2.gz ONCNTRFTLFPPIZ-WDEREUQCSA-N -1 0 306.322 -0.990 20 0 DBADRM Cn1ccc(S(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)n1 ZINC001608128227 1019087397 /nfs/dbraw/zinc/08/73/97/1019087397.db2.gz WCTLAMNMNLSFLV-DTWKUNHWSA-N -1 0 303.340 -0.564 20 0 DBADRM Cn1cnc2c1nccc2C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001608135105 1019088145 /nfs/dbraw/zinc/08/81/45/1019088145.db2.gz ACEYCTMHPCTFCA-SECBINFHSA-N -1 0 317.305 -0.616 20 0 DBADRM Cn1cnc(C(=O)NC[C@H](O)CNc2ncc(C(=O)[O-])cn2)c1 ZINC001608133436 1019088216 /nfs/dbraw/zinc/08/82/16/1019088216.db2.gz DQOMOVXYPROCFF-VIFPVBQESA-N -1 0 320.309 -0.889 20 0 DBADRM Cn1ccc(CC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001608126885 1019088249 /nfs/dbraw/zinc/08/82/49/1019088249.db2.gz PXKBCSNSAVBHTF-JTQLQIEISA-N -1 0 304.310 -0.274 20 0 DBADRM Cn1ccnc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)c1=O ZINC001608128647 1019088482 /nfs/dbraw/zinc/08/84/82/1019088482.db2.gz FFYAMHRISDBQSB-QMMMGPOBSA-N -1 0 308.294 -0.958 20 0 DBADRM Cn1ccnc1[C@@H]1CNCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001608134396 1019089037 /nfs/dbraw/zinc/08/90/37/1019089037.db2.gz SBXYIPRQFIKANI-AXFHLTTASA-N -1 0 308.338 -0.475 20 0 DBADRM Cn1cnc2ccc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])nc21 ZINC001608136356 1019089553 /nfs/dbraw/zinc/08/95/53/1019089553.db2.gz LPFDCCQVQLWDGU-SNVBAGLBSA-N -1 0 317.305 -0.616 20 0 DBADRM Cn1cnnc1[C@@H]1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001608138448 1019089770 /nfs/dbraw/zinc/08/97/70/1019089770.db2.gz HVDYQEPEDAVJAL-SECBINFHSA-N -1 0 304.310 -0.274 20 0 DBADRM Cn1cnn(CC(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c1=O ZINC001608137554 1019090759 /nfs/dbraw/zinc/09/07/59/1019090759.db2.gz OLOUBOJNGAXHJZ-LLVKDONJSA-N -1 0 322.296 -0.295 20 0 DBADRM Cn1cnnc1[C@H]1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001608138449 1019091099 /nfs/dbraw/zinc/09/10/99/1019091099.db2.gz HVDYQEPEDAVJAL-VIFPVBQESA-N -1 0 304.310 -0.274 20 0 DBADRM Cn1cnnc1[C@@H](CO)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001608137599 1019091186 /nfs/dbraw/zinc/09/11/86/1019091186.db2.gz QGCLYNWLJNNZNL-IVZWLZJFSA-N -1 0 312.326 -0.765 20 0 DBADRM Cn1cnn(CC(=O)N[C@](C)(CC(=O)[O-])c2cccnc2)c1=O ZINC001608137227 1019091497 /nfs/dbraw/zinc/09/14/97/1019091497.db2.gz AFGKQIRGAVBJQP-CQSZACIVSA-N -1 0 319.321 -0.517 20 0 DBADRM Cn1cnc2cncc(C(=O)NC3(C(=O)[O-])CC(CO)C3)c21 ZINC001608136953 1019091628 /nfs/dbraw/zinc/09/16/28/1019091628.db2.gz ZPKCLYDTCJAOMR-UHFFFAOYSA-N -1 0 304.306 -0.076 20 0 DBADRM Cn1cnnc1[C@H](CO)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001608137597 1019091755 /nfs/dbraw/zinc/09/17/55/1019091755.db2.gz QGCLYNWLJNNZNL-AEJSXWLSSA-N -1 0 312.326 -0.765 20 0 DBADRM Cn1nc(NC(=O)CCC(=O)N2CCC(O)CC2)cc1C(=O)[O-] ZINC001608149704 1019092273 /nfs/dbraw/zinc/09/22/73/1019092273.db2.gz KTIDVDFITLBTGJ-UHFFFAOYSA-N -1 0 324.337 -0.180 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)CS(=O)(=O)NC(C)(C)C ZINC001608143032 1019092301 /nfs/dbraw/zinc/09/23/01/1019092301.db2.gz JJDOPFHNBKKOEE-UHFFFAOYSA-N -1 0 318.355 -0.225 20 0 DBADRM Cn1cnnc1S(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001608140141 1019092437 /nfs/dbraw/zinc/09/24/37/1019092437.db2.gz OGZVBLHAHVMFCQ-JTQLQIEISA-N -1 0 304.328 -0.883 20 0 DBADRM Cn1nc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])cc1C1CC1 ZINC001608149001 1019092479 /nfs/dbraw/zinc/09/24/79/1019092479.db2.gz SXVWSVDPPAZNQU-QMMMGPOBSA-N -1 0 310.310 -0.812 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC001608147268 1019092775 /nfs/dbraw/zinc/09/27/75/1019092775.db2.gz MCAGHCJYFVKCKB-UHFFFAOYSA-N -1 0 305.298 -0.381 20 0 DBADRM Cn1cnnc1COCC(=O)N1CCSC[C@H]1C(=O)[O-] ZINC001608139317 1019092857 /nfs/dbraw/zinc/09/28/57/1019092857.db2.gz RFBNECMSROTORK-QMMMGPOBSA-N -1 0 300.340 -0.640 20 0 DBADRM Cn1nc(Br)nc1CN1CCOC[C@H]1C(=O)[O-] ZINC001608139612 1019092899 /nfs/dbraw/zinc/09/28/99/1019092899.db2.gz FRQIAKCOVHBJIP-LURJTMIESA-N -1 0 305.132 -0.137 20 0 DBADRM Cn1nc(C2CC2)nc1CN1[C@@H](C(=O)[O-])CCS1(=O)=O ZINC001608147330 1019093259 /nfs/dbraw/zinc/09/32/59/1019093259.db2.gz NUOKHHWBHIBBKP-MRVPVSSYSA-N -1 0 300.340 -0.319 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC001608140124 1019093282 /nfs/dbraw/zinc/09/32/82/1019093282.db2.gz NHTQESDFRNARDJ-UHFFFAOYSA-N -1 0 319.325 -0.941 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1N ZINC001608156196 1019094143 /nfs/dbraw/zinc/09/41/43/1019094143.db2.gz XCHRVKXXSLGPOT-XAVMHZPKSA-N -1 0 321.337 -0.900 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCc1ccncc1 ZINC001608155818 1019094338 /nfs/dbraw/zinc/09/43/38/1019094338.db2.gz WMTPAFGEUMXOBC-UHFFFAOYSA-N -1 0 317.305 -0.189 20 0 DBADRM Cn1ncc(CCC(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])n1 ZINC001608157376 1019094359 /nfs/dbraw/zinc/09/43/59/1019094359.db2.gz CNULCVKBFGWBFO-JTQLQIEISA-N -1 0 312.326 -0.530 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC001608155728 1019094636 /nfs/dbraw/zinc/09/46/36/1019094636.db2.gz HPOLTXJPWZNFQQ-VIFPVBQESA-N -1 0 309.326 -0.333 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCC[C@H](CO)CC1 ZINC001608155698 1019095290 /nfs/dbraw/zinc/09/52/90/1019095290.db2.gz SRZYUAIMAWJLBT-VIFPVBQESA-N -1 0 324.337 -0.322 20 0 DBADRM Cn1nc2c(c1S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])CCCC2 ZINC001608153252 1019095581 /nfs/dbraw/zinc/09/55/81/1019095581.db2.gz KHCICTFKMKYUKA-LBPRGKRZSA-N -1 0 317.367 -0.587 20 0 DBADRM Cn1ncc2c1nc(CN1C[C@H](C(=O)[O-])C[C@H](O)C1)[nH]c2=O ZINC001608158642 1019096238 /nfs/dbraw/zinc/09/62/38/1019096238.db2.gz AESYXTBDIJLARE-SFYZADRCSA-N -1 0 307.310 -0.664 20 0 DBADRM Cn1nccc1CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC001608165011 1019096784 /nfs/dbraw/zinc/09/67/84/1019096784.db2.gz DTZMPOFSSVJEKG-OLZOCXBDSA-N -1 0 322.365 -0.304 20 0 DBADRM Cn1ncc(CCC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n1 ZINC001608158312 1019097344 /nfs/dbraw/zinc/09/73/44/1019097344.db2.gz ZJAZWZRELLMZCJ-IINYFYTJSA-N -1 0 308.338 -0.303 20 0 DBADRM Cn1nccc1CCN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608165039 1019097398 /nfs/dbraw/zinc/09/73/98/1019097398.db2.gz GYVOFFGGLHOTBI-CHWSQXEVSA-N -1 0 306.366 -0.173 20 0 DBADRM Cn1ncc2c1ncnc2N(CCN1CCOCC1)CC(=O)[O-] ZINC001608159941 1019097708 /nfs/dbraw/zinc/09/77/08/1019097708.db2.gz APQFTAHQBZBKSO-UHFFFAOYSA-N -1 0 320.353 -0.414 20 0 DBADRM Cn1nccc1COCC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001608164967 1019098209 /nfs/dbraw/zinc/09/82/09/1019098209.db2.gz ANEIVSQLWVKKAW-UHFFFAOYSA-N -1 0 312.326 -0.966 20 0 DBADRM Cn1nccc1C1(O)CN(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001608162356 1019098423 /nfs/dbraw/zinc/09/84/23/1019098423.db2.gz HUDRYADVVDZTJK-UHFFFAOYSA-N -1 0 305.294 -0.955 20 0 DBADRM Cn1ncc2c1nc(CN1C[C@H](O)C[C@@H](C(=O)[O-])C1)[nH]c2=O ZINC001608158640 1019098807 /nfs/dbraw/zinc/09/88/07/1019098807.db2.gz AESYXTBDIJLARE-HTQZYQBOSA-N -1 0 307.310 -0.664 20 0 DBADRM Cn1nccc1[C@@H](CO)NS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001608162598 1019098849 /nfs/dbraw/zinc/09/88/49/1019098849.db2.gz MLDOIPUNBMYOLY-MRVPVSSYSA-N -1 0 305.356 -0.516 20 0 DBADRM Cn1nnc(NC(=O)N2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)n1 ZINC001608166839 1019099564 /nfs/dbraw/zinc/09/95/64/1019099564.db2.gz AVXILJYVGZWNCD-ZDUSSCGKSA-N -1 0 324.341 -0.176 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC001608166407 1019099673 /nfs/dbraw/zinc/09/96/73/1019099673.db2.gz JPLMWGUNQMPOCQ-UHFFFAOYSA-N -1 0 303.278 -0.748 20 0 DBADRM Cn1nnc2cc(C(=O)N3CCOC[C@H]3CC(=O)[O-])cnc21 ZINC001608168373 1019100523 /nfs/dbraw/zinc/10/05/23/1019100523.db2.gz PXXGMLWAUOVISO-SECBINFHSA-N -1 0 305.294 -0.321 20 0 DBADRM Cn1nncc1CN1CC=C(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608168008 1019101231 /nfs/dbraw/zinc/10/12/31/1019101231.db2.gz NIYSVUWKJTUOIE-OLZOCXBDSA-N -1 0 319.365 -0.216 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001608166612 1019101777 /nfs/dbraw/zinc/10/17/77/1019101777.db2.gz UZWYRSUSVAYMRI-HYXAFXHYSA-N -1 0 318.289 -0.151 20 0 DBADRM Cn1nnc(CNCC2(CCNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001608167591 1019101851 /nfs/dbraw/zinc/10/18/51/1019101851.db2.gz NMJAPPBEPYSMGH-UWVGGRQHSA-N -1 0 322.369 -0.693 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001608169343 1019103648 /nfs/dbraw/zinc/10/36/48/1019103648.db2.gz RBKRGNQAMDLETL-MRVPVSSYSA-N -1 0 302.337 -0.019 20 0 DBADRM Cn1nncc1S(=O)(=O)N(C1CC1)C1(C(=O)[O-])CCC1 ZINC001608169113 1019105770 /nfs/dbraw/zinc/10/57/70/1019105770.db2.gz IAANNQVPZWKKAW-UHFFFAOYSA-N -1 0 300.340 -0.025 20 0 DBADRM NC(=O)C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ncc(C(=O)[O-])cn1 ZINC001608227282 1019114718 /nfs/dbraw/zinc/11/47/18/1019114718.db2.gz MJKAWLJFPGNKHA-NXEZZACHSA-N -1 0 319.321 -0.770 20 0 DBADRM NC(=O)[C@@](O)(Cn1nnc(CCC(=O)[O-])n1)c1ccccc1 ZINC001608228203 1019114798 /nfs/dbraw/zinc/11/47/98/1019114798.db2.gz NSXXSBJGYLRHDD-CYBMUJFWSA-N -1 0 305.294 -0.937 20 0 DBADRM NC(=O)C(=O)NC1CC2(C1)CC(Nc1ncc(C(=O)[O-])cn1)C2 ZINC001608227493 1019115172 /nfs/dbraw/zinc/11/51/72/1019115172.db2.gz SSRYBBATUNOGGT-UHFFFAOYSA-N -1 0 319.321 -0.501 20 0 DBADRM NC(=O)[C@H](F)C1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001608227884 1019116089 /nfs/dbraw/zinc/11/60/89/1019116089.db2.gz IGSHEGKBSVJSSI-SECBINFHSA-N -1 0 322.358 -0.141 20 0 DBADRM NC(=O)[C@H]1C[C@H](NS(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC001608240462 1019130351 /nfs/dbraw/zinc/13/03/51/1019130351.db2.gz HFCQDPXETVXUFU-IZLXSQMJSA-N -1 0 304.349 -0.012 20 0 DBADRM NC(=O)C1(C(=O)N[C@H]2C[C@@H](Nc3ncc(C(=O)[O-])cn3)C2)CC1 ZINC001608228673 1019116920 /nfs/dbraw/zinc/11/69/20/1019116920.db2.gz UFYIEOJEUMPDSU-DTORHVGOSA-N -1 0 319.321 -0.501 20 0 DBADRM NC(=O)[C@@H]1CN(c2ncc(C(=O)[O-])cc2Cl)C[C@H]1C(N)=O ZINC001608230681 1019118996 /nfs/dbraw/zinc/11/89/96/1019118996.db2.gz YRMKMEPUASRTLE-RNFRBKRXSA-N -1 0 312.713 -0.544 20 0 DBADRM NC(=O)[C@H]1CN(S(=O)(=O)CCCCCC(=O)[O-])CCO1 ZINC001608230268 1019119661 /nfs/dbraw/zinc/11/96/61/1019119661.db2.gz UJRNZEUKBCJTQA-SECBINFHSA-N -1 0 308.356 -0.853 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CCO1 ZINC001608230742 1019119919 /nfs/dbraw/zinc/11/99/19/1019119919.db2.gz YYXJIYLSZMRHNA-XXFSISAASA-N -1 0 311.338 -0.619 20 0 DBADRM NC(=O)CC(=O)NC[C@@H]1CCCCN1c1ncc(C(=O)[O-])cn1 ZINC001608229472 1019120126 /nfs/dbraw/zinc/12/01/26/1019120126.db2.gz KYIFIKJKDMQICG-JTQLQIEISA-N -1 0 321.337 -0.475 20 0 DBADRM NC(=O)CCCC(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001608232120 1019121742 /nfs/dbraw/zinc/12/17/42/1019121742.db2.gz NMCVUVPPBQAJSX-SECBINFHSA-N -1 0 321.337 -0.475 20 0 DBADRM NC(=O)[C@H]1CCC[C@@H](C(=O)OCC(=O)NCCC(=O)[O-])C1 ZINC001608233130 1019122517 /nfs/dbraw/zinc/12/25/17/1019122517.db2.gz VSYFZXMNHYEGKY-DTWKUNHWSA-N -1 0 300.311 -0.588 20 0 DBADRM NC(=O)CN1CCC[C@H](NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001608234422 1019122725 /nfs/dbraw/zinc/12/27/25/1019122725.db2.gz FSFHUXPQRFCLJW-TUAOUCFPSA-N -1 0 311.382 -0.057 20 0 DBADRM NC(=O)C[C@H]1COCCN1C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001608232384 1019123297 /nfs/dbraw/zinc/12/32/97/1019123297.db2.gz RBMVKFYIEXSXPJ-JTQLQIEISA-N -1 0 307.306 -0.575 20 0 DBADRM NC(=O)C[C@@H]1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1 ZINC001608231931 1019123360 /nfs/dbraw/zinc/12/33/60/1019123360.db2.gz WWEQUKBKQRSEGT-UWVGGRQHSA-N -1 0 311.338 -0.967 20 0 DBADRM NC(=O)C[C@H]1COCCN1Cc1noc(CCCC(=O)[O-])n1 ZINC001608232110 1019123918 /nfs/dbraw/zinc/12/39/18/1019123918.db2.gz MTYLANQEWVRAJF-VIFPVBQESA-N -1 0 312.326 -0.447 20 0 DBADRM NC(=O)N1CC[C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001608237335 1019125170 /nfs/dbraw/zinc/12/51/70/1019125170.db2.gz WCYJNPWIFIORIV-SSDOTTSWSA-N -1 0 317.323 -0.343 20 0 DBADRM NC(=O)NC1(C(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CC1 ZINC001608237748 1019127752 /nfs/dbraw/zinc/12/77/52/1019127752.db2.gz BTEXOJMIXHLRSH-SNVBAGLBSA-N -1 0 321.333 -0.047 20 0 DBADRM NC(=O)c1cc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c[nH]1 ZINC001608240731 1019129024 /nfs/dbraw/zinc/12/90/24/1019129024.db2.gz AHWUCWDPBURWAC-UHFFFAOYSA-N -1 0 304.266 -0.900 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](O)CN1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001608240349 1019129387 /nfs/dbraw/zinc/12/93/87/1019129387.db2.gz NUNAZCDAWSWESB-MDZLAQPJSA-N -1 0 324.333 -0.955 20 0 DBADRM NC(=O)c1ccc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)o1 ZINC001608242806 1019129601 /nfs/dbraw/zinc/12/96/01/1019129601.db2.gz KFMZXONSVOIJAE-MRVPVSSYSA-N -1 0 310.262 -0.389 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](O)CN1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001608240350 1019129655 /nfs/dbraw/zinc/12/96/55/1019129655.db2.gz NUNAZCDAWSWESB-WZRBSPASSA-N -1 0 324.333 -0.955 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](CC2CCOCC2)C(=O)[O-])O1 ZINC001608240988 1019129965 /nfs/dbraw/zinc/12/99/65/1019129965.db2.gz UPGWLVFBWWGDKQ-OUAUKWLOSA-N -1 0 314.338 -0.595 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC001608242504 1019130105 /nfs/dbraw/zinc/13/01/05/1019130105.db2.gz DXKPPBMBGRYDCW-NSHDSACASA-N -1 0 319.317 -0.870 20 0 DBADRM NC(=O)[C@H]1C[C@H]1C(=O)N1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1 ZINC001608240460 1019130191 /nfs/dbraw/zinc/13/01/91/1019130191.db2.gz HDPOHFABVSSQPM-SVNGYHJRSA-N -1 0 310.350 -0.021 20 0 DBADRM NC(=O)[C@H]1C[C@H]1C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1[C@H]1CCCO1 ZINC001608240459 1019130876 /nfs/dbraw/zinc/13/08/76/1019130876.db2.gz HDPOHFABVSSQPM-PREPNJAASA-N -1 0 310.350 -0.021 20 0 DBADRM NC(=O)c1cc(NC(=O)C(=O)NC2(C(=O)[O-])CC2)ccc1F ZINC001608241352 1019131016 /nfs/dbraw/zinc/13/10/16/1019131016.db2.gz JHXVVKBQGRCSKV-UHFFFAOYSA-N -1 0 309.253 -0.404 20 0 DBADRM NC(=O)c1cc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])co1 ZINC001608242142 1019131103 /nfs/dbraw/zinc/13/11/03/1019131103.db2.gz XTESBRKANKRAKZ-MRVPVSSYSA-N -1 0 312.278 -0.285 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC001608240491 1019131208 /nfs/dbraw/zinc/13/12/08/1019131208.db2.gz SPINJSXPQFTJMW-WRXNHJIOSA-N -1 0 323.280 -0.158 20 0 DBADRM NC(=O)c1cn(CCCCNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)nn1 ZINC001608247085 1019133041 /nfs/dbraw/zinc/13/30/41/1019133041.db2.gz SVOFGKUBPKFXHI-DTORHVGOSA-N -1 0 309.326 -0.616 20 0 DBADRM NC(=O)c1ccc(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)cn1 ZINC001608242929 1019133108 /nfs/dbraw/zinc/13/31/08/1019133108.db2.gz KLTQSXGEGSCWGO-VHSXEESVSA-N -1 0 307.306 -0.352 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC001608244716 1019135102 /nfs/dbraw/zinc/13/51/02/1019135102.db2.gz ALUWVYGPNBCQGW-VXNVDRBHSA-N -1 0 317.305 -0.189 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)CCSCC(=O)[O-])CCC1 ZINC001608258811 1019139485 /nfs/dbraw/zinc/13/94/85/1019139485.db2.gz QKUAMTJKGJUPJL-UHFFFAOYSA-N -1 0 310.397 -0.478 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001608260081 1019139834 /nfs/dbraw/zinc/13/98/34/1019139834.db2.gz AYRDMSKPBDIWBB-LLVKDONJSA-N -1 0 324.424 -0.088 20 0 DBADRM NS(=O)(=O)CC1CCN(Cc2cc(C(=O)[O-])no2)CC1 ZINC001608259386 1019140299 /nfs/dbraw/zinc/14/02/99/1019140299.db2.gz KADDRTMCPSUNDK-UHFFFAOYSA-N -1 0 303.340 -0.127 20 0 DBADRM NS(=O)(=O)CCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001608260660 1019140649 /nfs/dbraw/zinc/14/06/49/1019140649.db2.gz QTFRZOHHEMXQCY-UHFFFAOYSA-N -1 0 304.368 -0.184 20 0 DBADRM NS(=O)(=O)CCCNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001608260516 1019140791 /nfs/dbraw/zinc/14/07/91/1019140791.db2.gz MODBKFHBHGIWJC-UHFFFAOYSA-N -1 0 300.336 -0.278 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)c2ccoc2CC(=O)[O-])CCC1 ZINC001608258766 1019141168 /nfs/dbraw/zinc/14/11/68/1019141168.db2.gz OFPPKKNVCUXFFB-UHFFFAOYSA-N -1 0 316.335 -0.152 20 0 DBADRM NS(=O)(=O)CCCC(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001608259543 1019141230 /nfs/dbraw/zinc/14/12/30/1019141230.db2.gz ODRAVDQHIAIYGK-UHFFFAOYSA-N -1 0 321.380 -0.431 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001608259877 1019141965 /nfs/dbraw/zinc/14/19/65/1019141965.db2.gz WITYANURTMEDAY-IWSPIJDZSA-N -1 0 305.356 -0.973 20 0 DBADRM NS(=O)(=O)c1n[nH]cc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001608263790 1019143504 /nfs/dbraw/zinc/14/35/04/1019143504.db2.gz CTIZBXABRPJTPR-ZCFIWIBFSA-N -1 0 302.312 -0.864 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H](CF)C(=O)[O-])c(F)c1 ZINC001608261441 1019144342 /nfs/dbraw/zinc/14/43/42/1019144342.db2.gz KPYNWDDBOLIEBD-QMMMGPOBSA-N -1 0 308.262 -0.374 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)ccn1 ZINC001608261520 1019144726 /nfs/dbraw/zinc/14/47/26/1019144726.db2.gz VNWSBIBNFGXWHV-NSHDSACASA-N -1 0 317.298 -0.632 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)NC2(CC(=O)[O-])CC2)CC1 ZINC001608260993 1019144967 /nfs/dbraw/zinc/14/49/67/1019144967.db2.gz GJNLLIOPUIHRHR-UHFFFAOYSA-N -1 0 305.356 -0.975 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)O[C@H](C(=O)[O-])C2CC2)C1 ZINC001608261070 1019145225 /nfs/dbraw/zinc/14/52/25/1019145225.db2.gz KLHOEJVFRZAPPR-IUCAKERBSA-N -1 0 306.340 -0.692 20 0 DBADRM Nc1c(C(=O)N2CCO[C@H](C(=O)[O-])C2)cnn1-c1ccccn1 ZINC001608269021 1019149022 /nfs/dbraw/zinc/14/90/22/1019149022.db2.gz QAWKYRUYFDPTOM-JTQLQIEISA-N -1 0 317.305 -0.225 20 0 DBADRM Nc1ncc2c(n1)CN([C@H]1CCCN(CCC(=O)[O-])C1=O)CC2 ZINC001608276563 1019149343 /nfs/dbraw/zinc/14/93/43/1019149343.db2.gz FXRINRMFYCJNNM-LBPRGKRZSA-N -1 0 319.365 -0.117 20 0 DBADRM O=C(C=CCN1CCOCC1)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001608280546 1019151155 /nfs/dbraw/zinc/15/11/55/1019151155.db2.gz AMCPVUINKNGKPA-UDSFMNFJSA-N -1 0 308.338 -0.590 20 0 DBADRM Nc1nnn(CC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])n1 ZINC001608280042 1019152545 /nfs/dbraw/zinc/15/25/45/1019152545.db2.gz RBQTWVMTTHWELN-VIFPVBQESA-N -1 0 322.300 -0.546 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001502741083 1019154173 /nfs/dbraw/zinc/15/41/73/1019154173.db2.gz PEAQTQKJHBDCLM-BDAKNGLRSA-N -1 0 310.354 -0.234 20 0 DBADRM O=C(C[C@@H]1CCS(=O)(=O)C1)OCC(=O)C1(C(=O)[O-])CC1 ZINC001608296231 1019154279 /nfs/dbraw/zinc/15/42/79/1019154279.db2.gz FFOIZXMINHBPBE-QMMMGPOBSA-N -1 0 304.320 -0.212 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001608296846 1019154426 /nfs/dbraw/zinc/15/44/26/1019154426.db2.gz KNHAUVWXQZMHAS-SNVBAGLBSA-N -1 0 319.379 -0.361 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1 ZINC001608300010 1019154992 /nfs/dbraw/zinc/15/49/92/1019154992.db2.gz ATAOCSBFSKUDIC-LPEHRKFASA-N -1 0 303.311 -0.751 20 0 DBADRM O=C(CCN1CCOC1=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001608309101 1019155349 /nfs/dbraw/zinc/15/53/49/1019155349.db2.gz HZJCMNMRHBKUIP-VHSXEESVSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)CC2CCCC2)C1 ZINC001608294573 1019156289 /nfs/dbraw/zinc/15/62/89/1019156289.db2.gz WJBASCSNQXQIKL-VXGBXAGGSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001608304719 1019156405 /nfs/dbraw/zinc/15/64/05/1019156405.db2.gz WDPDQFCGFQHTNH-NOZJJQNGSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)C[C@H]1CCCS1(=O)=O ZINC001608297206 1019156551 /nfs/dbraw/zinc/15/65/51/1019156551.db2.gz QAJDEMWZIGCVPQ-NXEZZACHSA-N -1 0 315.351 -0.511 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC001608311639 1019158603 /nfs/dbraw/zinc/15/86/03/1019158603.db2.gz ODYXUJYKHJXNSP-SNVBAGLBSA-N -1 0 320.305 -0.756 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)N[C@H]1CCc2nnnn2CC1 ZINC001608313383 1019158717 /nfs/dbraw/zinc/15/87/17/1019158717.db2.gz MHOYDRXHKIEOFB-GARJFASQSA-N -1 0 323.353 -0.236 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)NCCNC(=O)c1ccn[nH]1 ZINC001608322849 1019158741 /nfs/dbraw/zinc/15/87/41/1019158741.db2.gz YRGFRDPSNKJHOE-UHFFFAOYSA-N -1 0 321.293 -0.425 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC001608322601 1019159188 /nfs/dbraw/zinc/15/91/88/1019159188.db2.gz QEDLGPAYZBQTCY-QMMMGPOBSA-N -1 0 316.335 -0.001 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)N[C@@H]1CCc2nnnn2CC1 ZINC001608321668 1019159305 /nfs/dbraw/zinc/15/93/05/1019159305.db2.gz GGSUYXIBVJPAJA-MRVPVSSYSA-N -1 0 320.309 -0.187 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(NC(=O)CCn2ccnc2)CC1 ZINC001608324152 1019159744 /nfs/dbraw/zinc/15/97/44/1019159744.db2.gz RTXNPIKDOQJURN-MNOVXSKESA-N -1 0 320.349 -0.241 20 0 DBADRM O=C([O-])[C@]1(O)CCN(CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC001608326999 1019161171 /nfs/dbraw/zinc/16/11/71/1019161171.db2.gz JWNAQADMJRKPOU-LRDDRELGSA-N -1 0 320.345 -0.372 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CN2CCCCC(=O)C2=O)nc1 ZINC001608330605 1019161218 /nfs/dbraw/zinc/16/12/18/1019161218.db2.gz GCWAPIGZQXCUMR-UHFFFAOYSA-N -1 0 319.317 -0.022 20 0 DBADRM O=C([O-])c1cc(COC(=O)CN2CCCS2(=O)=O)on1 ZINC001608331352 1019161779 /nfs/dbraw/zinc/16/17/79/1019161779.db2.gz QCMVNSZSUPVVSX-UHFFFAOYSA-N -1 0 304.280 -0.549 20 0 DBADRM O=C(CN1CCCNC1=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001608330547 1019161798 /nfs/dbraw/zinc/16/17/98/1019161798.db2.gz DUQAVLGHKMWDBP-QWRGUYRKSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])c1ccc(COC(=O)CN2CCCS2(=O)=O)nc1 ZINC001608330909 1019162043 /nfs/dbraw/zinc/16/20/43/1019162043.db2.gz HEUIOCGONXNDFX-UHFFFAOYSA-N -1 0 314.319 -0.142 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)N[C@H]1CC12CCOCC2 ZINC001608329994 1019162428 /nfs/dbraw/zinc/16/24/28/1019162428.db2.gz KXIZOUQRFCRYQF-QWRGUYRKSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C(CN1CCCC1=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001608331689 1019163623 /nfs/dbraw/zinc/16/36/23/1019163623.db2.gz UNBWMPRVJZMDCX-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)CN1CCN(CCO)CC1 ZINC001608333602 1019164268 /nfs/dbraw/zinc/16/42/68/1019164268.db2.gz JIBBIKCYWFBETH-UHFFFAOYSA-N -1 0 307.350 -0.067 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)Nc2ncccc2CO)C1=O ZINC001608332894 1019164512 /nfs/dbraw/zinc/16/45/12/1019164512.db2.gz ORULKTCQEHQAFU-JTQLQIEISA-N -1 0 307.306 -0.164 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)OCC(=O)N1CCCC1 ZINC001608334256 1019164644 /nfs/dbraw/zinc/16/46/44/1019164644.db2.gz ZDRRIWTUTKCNRW-SNVBAGLBSA-N -1 0 312.322 -0.525 20 0 DBADRM O=C([O-])C1(NC(=O)CN2CCn3ncnc3C2)CCCCC1 ZINC001608335219 1019164718 /nfs/dbraw/zinc/16/47/18/1019164718.db2.gz PIKDRHSMJPLAKK-UHFFFAOYSA-N -1 0 307.354 -0.003 20 0 DBADRM O=C(CN1CCOCC1)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001608334083 1019164919 /nfs/dbraw/zinc/16/49/19/1019164919.db2.gz WUWLLSYAQGTCNG-RYUDHWBXSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C(COC[C@H]1CCCO1)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001608349045 1019165438 /nfs/dbraw/zinc/16/54/38/1019165438.db2.gz SFTKGRLLAQFIAY-ZJUUUORDSA-N -1 0 303.311 -0.486 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CCNC(=O)CO)Oc1ccccc1 ZINC001608343320 1019165851 /nfs/dbraw/zinc/16/58/51/1019165851.db2.gz SUWJACIPGLPEKF-LLVKDONJSA-N -1 0 310.306 -0.867 20 0 DBADRM O=C([O-])C1(CNC(=O)COCC(=O)NCc2cccnc2)CC1 ZINC001608346895 1019166210 /nfs/dbraw/zinc/16/62/10/1019166210.db2.gz IRYVEPIMLOJFGN-UHFFFAOYSA-N -1 0 321.333 -0.305 20 0 DBADRM O=C([O-])[C@@]1(NCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCOC1 ZINC001608339214 1019166378 /nfs/dbraw/zinc/16/63/78/1019166378.db2.gz NPJSKWHXOTUMMH-YWPYICTPSA-N -1 0 312.366 -0.010 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC001608338541 1019166897 /nfs/dbraw/zinc/16/68/97/1019166897.db2.gz GZKABYQXZLEBCP-JTQLQIEISA-N -1 0 316.260 -0.354 20 0 DBADRM O=C([O-])c1cnn(CC(=O)OCC(=O)NCC(F)(F)F)c1 ZINC001608344523 1019166916 /nfs/dbraw/zinc/16/69/16/1019166916.db2.gz ITDVGQIKKQYYHL-UHFFFAOYSA-N -1 0 309.200 -0.197 20 0 DBADRM O=C([O-])c1c(OCCO)n[nH]c1NC(=O)COCC(F)F ZINC001608347643 1019166963 /nfs/dbraw/zinc/16/69/63/1019166963.db2.gz QMAJPBZLRNLFID-UHFFFAOYSA-N -1 0 309.225 -0.301 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)CNC(=O)C1CCCCC1 ZINC001608337804 1019167053 /nfs/dbraw/zinc/16/70/53/1019167053.db2.gz PVFSCMGHTXDZCE-NSHDSACASA-N -1 0 323.353 -0.456 20 0 DBADRM O=C([O-])c1cncc(C(=O)OCC(=O)NC(=O)NC2CC2)c1 ZINC001608347486 1019167210 /nfs/dbraw/zinc/16/72/10/1019167210.db2.gz NLVFTVALTKSLNL-UHFFFAOYSA-N -1 0 307.262 -0.075 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CC1C(=O)N=CNC1=O)[C@@H]1CCOC1 ZINC001608357185 1019168994 /nfs/dbraw/zinc/16/89/94/1019168994.db2.gz FHMCGVMMPDEDAX-APPZFPTMSA-N -1 0 311.294 -0.716 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)Cc2c[nH]cn2)CCC1 ZINC001608370011 1019171054 /nfs/dbraw/zinc/17/10/54/1019171054.db2.gz RDVGNBXPVORLDX-MNOVXSKESA-N -1 0 320.349 -0.172 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)Cc2ncc[nH]2)CC1 ZINC001608371291 1019172192 /nfs/dbraw/zinc/17/21/92/1019172192.db2.gz FERLDPIIRHIRSG-QWRGUYRKSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001608371604 1019172747 /nfs/dbraw/zinc/17/27/47/1019172747.db2.gz OHWPBIGDCIKAQT-JXUBOQSCSA-N -1 0 306.322 -0.564 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)Cc2ncccc2F)C1 ZINC001608371903 1019172868 /nfs/dbraw/zinc/17/28/68/1019172868.db2.gz YCFPVBBESNSOLW-NXEZZACHSA-N -1 0 321.308 -0.189 20 0 DBADRM O=C([O-])c1coc(C(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)c1 ZINC001608377248 1019174550 /nfs/dbraw/zinc/17/45/50/1019174550.db2.gz QVWNTNMNAWMSHM-UHFFFAOYSA-N -1 0 322.229 -0.334 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NC[C@H]2CCS(=O)(=O)C2)n1 ZINC001608377705 1019174684 /nfs/dbraw/zinc/17/46/84/1019174684.db2.gz AXIOXEQOGURVHA-MRVPVSSYSA-N -1 0 301.324 -0.868 20 0 DBADRM O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001608376970 1019174690 /nfs/dbraw/zinc/17/46/90/1019174690.db2.gz KEXYCFZVWUUEQM-DTWKUNHWSA-N -1 0 311.294 -0.913 20 0 DBADRM O=C([O-])c1cn(CC(=O)OC[C@H]2CCCS(=O)(=O)C2)nn1 ZINC001608377454 1019174928 /nfs/dbraw/zinc/17/49/28/1019174928.db2.gz QBJVJPZMQROVJT-MRVPVSSYSA-N -1 0 317.323 -0.656 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)Cn2cc(Cl)cn2)n1 ZINC001608377620 1019174977 /nfs/dbraw/zinc/17/49/77/1019174977.db2.gz WGDMGIGSGJUADF-UHFFFAOYSA-N -1 0 324.728 -0.325 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(NC(=O)Cn2nccn2)CCC1 ZINC001608381446 1019176325 /nfs/dbraw/zinc/17/63/25/1019176325.db2.gz LDGRRICYWMZVJH-UWVGGRQHSA-N -1 0 321.337 -0.846 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cnc2n[nH]cc2c1 ZINC001608401923 1019177777 /nfs/dbraw/zinc/17/77/77/1019177777.db2.gz ORSLUWZLRDGAOH-SECBINFHSA-N -1 0 301.266 -0.567 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001608396705 1019178166 /nfs/dbraw/zinc/17/81/66/1019178166.db2.gz OPVCJEMOCHIHRT-KWQFWETISA-N -1 0 309.322 -0.153 20 0 DBADRM O=C([O-])C1(NC(=O)c2ccnc(-n3cncn3)c2)CC(CO)C1 ZINC001608403521 1019178708 /nfs/dbraw/zinc/17/87/08/1019178708.db2.gz FAGRNNJRXHPLPI-UHFFFAOYSA-N -1 0 317.305 -0.382 20 0 DBADRM O=C([O-])c1cncc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1 ZINC001608406062 1019178993 /nfs/dbraw/zinc/17/89/93/1019178993.db2.gz GSQPHRIXJCQVSZ-UHFFFAOYSA-N -1 0 319.321 -0.898 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1ncc2ccccn21 ZINC001608402421 1019179116 /nfs/dbraw/zinc/17/91/16/1019179116.db2.gz SYBZFLBAFFAQRP-JTQLQIEISA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)c1cccc2n[nH]nc21 ZINC001608396996 1019180128 /nfs/dbraw/zinc/18/01/28/1019180128.db2.gz QOGUJVTYHRZZHF-SECBINFHSA-N -1 0 306.278 -0.096 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)C(=O)c1ccc(O)cc1 ZINC001608401270 1019180600 /nfs/dbraw/zinc/18/06/00/1019180600.db2.gz CBCPFFBBRFOXPW-SNVBAGLBSA-N -1 0 304.262 -0.564 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2csc(=O)[nH]2)C1 ZINC001608413707 1019181285 /nfs/dbraw/zinc/18/12/85/1019181285.db2.gz CHPPVAZOSCAHJV-RQJHMYQMSA-N -1 0 311.319 -0.490 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CNC(=O)c1ccc(F)cc1 ZINC001608414420 1019182531 /nfs/dbraw/zinc/18/25/31/1019182531.db2.gz GTNCSAIWQUJJKH-LLVKDONJSA-N -1 0 310.281 -0.133 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(C(=O)C(=O)NC1CCOCC1)CC2 ZINC001608412733 1019182644 /nfs/dbraw/zinc/18/26/44/1019182644.db2.gz NWLVGEZCRUJQCH-LLVKDONJSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2ccc(F)cn2)C1 ZINC001608414056 1019183178 /nfs/dbraw/zinc/18/31/78/1019183178.db2.gz PGGAJYJNONHYRO-NXEZZACHSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)CNC(=O)c2ccncc2)C1 ZINC001608415094 1019183507 /nfs/dbraw/zinc/18/35/07/1019183507.db2.gz AFIZQCNRKBRIEW-GHMZBOCLSA-N -1 0 307.306 -0.895 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NCC23CCC(CC2)C3)C1 ZINC001608429102 1019184629 /nfs/dbraw/zinc/18/46/29/1019184629.db2.gz NJTRFRQPEKZLLY-SLMGRZLQSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)cc1 ZINC001608430264 1019184668 /nfs/dbraw/zinc/18/46/68/1019184668.db2.gz LDGGTCZPKJTSCE-AWEZNQCLSA-N -1 0 308.290 -0.409 20 0 DBADRM O=C(CNC(=O)NCc1ccco1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001608420786 1019184759 /nfs/dbraw/zinc/18/47/59/1019184759.db2.gz ZANRYBCGKJPTPC-KTLJEJPDSA-N -1 0 311.294 -0.827 20 0 DBADRM O=C([O-])c1cc(Cl)ccc1NC(=O)C(=O)NC[C@@H](O)CO ZINC001608423848 1019185024 /nfs/dbraw/zinc/18/50/24/1019185024.db2.gz IDOACTJFAMGVJH-SSDOTTSWSA-N -1 0 316.697 -0.554 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)cc1 ZINC001608430265 1019185480 /nfs/dbraw/zinc/18/54/80/1019185480.db2.gz LDGGTCZPKJTSCE-CQSZACIVSA-N -1 0 308.290 -0.409 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCC23CCC(CC2)C3)C1 ZINC001608429099 1019186397 /nfs/dbraw/zinc/18/63/97/1019186397.db2.gz NJTRFRQPEKZLLY-QNGPIJNLSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCOC1 ZINC001608416031 1019186434 /nfs/dbraw/zinc/18/64/34/1019186434.db2.gz MHIPARGYSGUXQX-FOGDFJRCSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCC[C@@]1(O)CCOC1 ZINC001608438930 1019187168 /nfs/dbraw/zinc/18/71/68/1019187168.db2.gz LXJDHFWUIKLSPP-GIPNMCIBSA-N -1 0 302.327 -0.683 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NC[C@H]2CC3CCC2CC3)C1 ZINC001608432867 1019187659 /nfs/dbraw/zinc/18/76/59/1019187659.db2.gz RRLJHPDUVYTNOK-VQXHTEKXSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001608437993 1019187693 /nfs/dbraw/zinc/18/76/93/1019187693.db2.gz FJZATWYAHAORRH-UWVGGRQHSA-N -1 0 320.305 -0.909 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NCCC2CC(F)(F)C2)C1 ZINC001608438443 1019189283 /nfs/dbraw/zinc/18/92/83/1019189283.db2.gz IAPFADZGNXTESG-UHFFFAOYSA-N -1 0 306.265 -0.804 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001608449908 1019190316 /nfs/dbraw/zinc/19/03/16/1019190316.db2.gz HKWQRHKCCZGCIG-NEPJUHHUSA-N -1 0 300.355 -0.418 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)c1cnnn1-c1cccc(F)c1 ZINC001608450650 1019190428 /nfs/dbraw/zinc/19/04/28/1019190428.db2.gz AYUXCJXQLXRJOZ-NSHDSACASA-N -1 0 308.269 -0.028 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)Nc2cnn(CCF)c2)nn1 ZINC001608456427 1019190529 /nfs/dbraw/zinc/19/05/29/1019190529.db2.gz WAYILDFFBBJULC-UHFFFAOYSA-N -1 0 311.277 -0.036 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)c2ccnnc2)n1 ZINC001608444782 1019190895 /nfs/dbraw/zinc/19/08/95/1019190895.db2.gz WTQZNYIFILDUFK-UHFFFAOYSA-N -1 0 302.294 -0.381 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCNc2cnccn2)nn1 ZINC001608447778 1019190923 /nfs/dbraw/zinc/19/09/23/1019190923.db2.gz CPHYIQUOSSPXHJ-UHFFFAOYSA-N -1 0 320.313 -0.822 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C(=O)Nc2cncc(F)c2)nn1 ZINC001608456336 1019190937 /nfs/dbraw/zinc/19/09/37/1019190937.db2.gz XGEWZOWTEQDPQJ-UHFFFAOYSA-N -1 0 322.256 -0.735 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)NCCc2ccoc2)CC1 ZINC001608454589 1019191515 /nfs/dbraw/zinc/19/15/15/1019191515.db2.gz NOPCZAZTMSXUAP-LBPRGKRZSA-N -1 0 324.333 -0.378 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001608459478 1019192054 /nfs/dbraw/zinc/19/20/54/1019192054.db2.gz CDJIUNHLBLIZGP-QWRGUYRKSA-N -1 0 310.281 -0.260 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001608459477 1019193131 /nfs/dbraw/zinc/19/31/31/1019193131.db2.gz CDJIUNHLBLIZGP-MNOVXSKESA-N -1 0 310.281 -0.260 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001608456747 1019193164 /nfs/dbraw/zinc/19/31/64/1019193164.db2.gz ATENGJNSPSSJHM-UTLUCORTSA-N -1 0 302.302 -0.447 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC001608457501 1019193371 /nfs/dbraw/zinc/19/33/71/1019193371.db2.gz MMFTXZTVWXPCGL-QWRGUYRKSA-N -1 0 316.329 -0.057 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)c2cccnn2)C1 ZINC001608461020 1019194015 /nfs/dbraw/zinc/19/40/15/1019194015.db2.gz QIASKBWKEICBRJ-NAKRPEOUSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)c2cccnn2)C1 ZINC001608461019 1019194171 /nfs/dbraw/zinc/19/41/71/1019194171.db2.gz QIASKBWKEICBRJ-GWOFURMSSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)Nc1n[nH]nc1C(=O)NC1CC1 ZINC001608460761 1019194220 /nfs/dbraw/zinc/19/42/20/1019194220.db2.gz JJRJEABNXZQFCU-IYSWYEEDSA-N -1 0 308.298 -0.461 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@H]1COc2ccc(O)cc2O1 ZINC001608488458 1019194948 /nfs/dbraw/zinc/19/49/48/1019194948.db2.gz MTLSPBYRFABWLB-XXILOJSOSA-N -1 0 309.274 -0.110 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccncn2)C1 ZINC001608491475 1019195690 /nfs/dbraw/zinc/19/56/90/1019195690.db2.gz IPGLGMDHWIVELR-QCLAVDOMSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)C(=O)N[C@@H]1CNOC1)C2 ZINC001608487870 1019196664 /nfs/dbraw/zinc/19/66/64/1019196664.db2.gz WOFWUSNHRCFRIA-GFCCVEGCSA-N -1 0 319.317 -0.711 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2cccnn2)C1 ZINC001608492223 1019196776 /nfs/dbraw/zinc/19/67/76/1019196776.db2.gz WSZVTMLCNZYVFH-JXUBOQSCSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2cccnn2)C1 ZINC001608492224 1019197111 /nfs/dbraw/zinc/19/71/11/1019197111.db2.gz WSZVTMLCNZYVFH-QCLAVDOMSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@H](CNS(=O)(=O)C[C@@H]1CCOC1)[C@H]1CCOC1 ZINC001608539228 1019199938 /nfs/dbraw/zinc/19/99/38/1019199938.db2.gz YBKOLJRZRIKCBB-OUAUKWLOSA-N -1 0 307.368 -0.320 20 0 DBADRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)N1CCS(=O)(=O)CC1 ZINC001608531944 1019200381 /nfs/dbraw/zinc/20/03/81/1019200381.db2.gz OKLRXWWMIZKCDP-VHSXEESVSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NS(=O)(=O)[C@H]1CCOC1 ZINC001608533353 1019201162 /nfs/dbraw/zinc/20/11/62/1019201162.db2.gz BMYHNZMUKHWOLR-IUCAKERBSA-N -1 0 309.340 -0.699 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001608536377 1019201783 /nfs/dbraw/zinc/20/17/83/1019201783.db2.gz NZKMGUZGVWEQKE-IONNQARKSA-N -1 0 310.310 -0.443 20 0 DBADRM O=C([O-])C1(NC(=O)C(=O)Nc2nc3c(s2)COCC3)CC1 ZINC001608526530 1019202307 /nfs/dbraw/zinc/20/23/07/1019202307.db2.gz REXWNSSBLPOTCX-UHFFFAOYSA-N -1 0 311.319 -0.112 20 0 DBADRM O=C([O-])C1(C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)CC1 ZINC001608564351 1019203774 /nfs/dbraw/zinc/20/37/74/1019203774.db2.gz AKMOUSZUTLYACZ-GFCCVEGCSA-N -1 0 312.366 -0.199 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)NCCN2CCOCC2)CC1 ZINC001608553991 1019204004 /nfs/dbraw/zinc/20/40/04/1019204004.db2.gz FCUOOCHTUQJRPP-GFCCVEGCSA-N -1 0 315.370 -0.814 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(S(=O)(=O)C[C@@H]2CCCOC2)CC1 ZINC001608559103 1019204032 /nfs/dbraw/zinc/20/40/32/1019204032.db2.gz YRHUTQSRRZVUJT-ZYHUDNBSSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)c2cccn3c(=O)[nH]nc23)CC1 ZINC001608558894 1019204863 /nfs/dbraw/zinc/20/48/63/1019204863.db2.gz YAVOVOCRYOZPFJ-JTQLQIEISA-N -1 0 320.305 -0.267 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCN2CCOCC2)CCC1 ZINC001608574071 1019208990 /nfs/dbraw/zinc/20/89/90/1019208990.db2.gz SITGEZIJNWFBNW-UHFFFAOYSA-N -1 0 306.384 -0.507 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC3(C2)CS(=O)(=O)C3)CCC1 ZINC001608570202 1019205720 /nfs/dbraw/zinc/20/57/20/1019205720.db2.gz HCDZAODZRTXMQS-UHFFFAOYSA-N -1 0 323.392 -0.699 20 0 DBADRM O=C([O-])C12CC(C(=O)N3CCC4(CC3)C[C@@H](O)CNC4=O)(C1)C2 ZINC001608580771 1019206687 /nfs/dbraw/zinc/20/66/87/1019206687.db2.gz MHSUMMMYPCXOCM-CPONVNJPSA-N -1 0 322.361 -0.269 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)c2cn3c(n2)CCCC3)C1 ZINC001608580087 1019207020 /nfs/dbraw/zinc/20/70/20/1019207020.db2.gz ZTBPTOXFZHDJJR-UHFFFAOYSA-N -1 0 301.324 -0.961 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NC[C@H]2CCCCN2CCO)CCC1 ZINC001608581383 1019207509 /nfs/dbraw/zinc/20/75/09/1019207509.db2.gz YSEFXZCSTLVFDZ-LLVKDONJSA-N -1 0 320.411 -0.240 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2ccnn2C2CCC2)C1 ZINC001608579622 1019207885 /nfs/dbraw/zinc/20/78/85/1019207885.db2.gz ZPYWHQYVWNSUQR-LBPRGKRZSA-N -1 0 315.351 -0.182 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CC[C@H](n3cncn3)C2)CCC1 ZINC001608579286 1019208385 /nfs/dbraw/zinc/20/83/85/1019208385.db2.gz IMBAQDKREHJOSM-VIFPVBQESA-N -1 0 300.340 -0.138 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(CCn2cnc(Br)n2)C1 ZINC001608578080 1019209082 /nfs/dbraw/zinc/20/90/82/1019209082.db2.gz HJKRJZNUSHICOR-SECBINFHSA-N -1 0 305.132 -0.438 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCC2(CO)COC2)CCCCC1 ZINC001608573834 1019209194 /nfs/dbraw/zinc/20/91/94/1019209194.db2.gz PVZFRHRETVEXAB-UHFFFAOYSA-N -1 0 321.395 -0.050 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)CC[C@@H]2CCCCO2)C1 ZINC001608578379 1019209492 /nfs/dbraw/zinc/20/94/92/1019209492.db2.gz FOUBHKQAYWDIOV-JQWIXIFHSA-N -1 0 307.368 -0.203 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001608574085 1019209779 /nfs/dbraw/zinc/20/97/79/1019209779.db2.gz SXMSVSADDPNOIG-PHIMTYICSA-N -1 0 318.395 -0.366 20 0 DBADRM O=C([O-])[C@]1(CNS(=O)(=O)CC2CCOCC2)CCOC1 ZINC001608571224 1019209812 /nfs/dbraw/zinc/20/98/12/1019209812.db2.gz QPSJECYURYGTOI-LBPRGKRZSA-N -1 0 307.368 -0.176 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(S(=O)(=O)CC2CCOCC2)C1 ZINC001608602140 1019216567 /nfs/dbraw/zinc/21/65/67/1019216567.db2.gz QAYYIISUODSMFO-MNOVXSKESA-N -1 0 307.368 -0.490 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)C(=O)NCC(F)F)C2)C1 ZINC001608590465 1019211461 /nfs/dbraw/zinc/21/14/61/1019211461.db2.gz CPNCDKRQYHDHBP-NSHDSACASA-N -1 0 305.237 -0.800 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1 ZINC001608586984 1019211691 /nfs/dbraw/zinc/21/16/91/1019211691.db2.gz OFIJBSAFDHDWFX-OUAUKWLOSA-N -1 0 314.363 -0.154 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)C1 ZINC001608586960 1019211719 /nfs/dbraw/zinc/21/17/19/1019211719.db2.gz NSXZMIFGZUGDMB-TUAOUCFPSA-N -1 0 318.333 -0.294 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CCC[C@H]2C2OCCO2)C1 ZINC001608587979 1019211872 /nfs/dbraw/zinc/21/18/72/1019211872.db2.gz YEVNZGVANQBYBJ-MNOVXSKESA-N -1 0 324.333 -0.360 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC(F)(F)CC2)C1 ZINC001608602317 1019214882 /nfs/dbraw/zinc/21/48/82/1019214882.db2.gz PKVWLXQICZGNSX-BDAKNGLRSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001608599370 1019215007 /nfs/dbraw/zinc/21/50/07/1019215007.db2.gz AXLACOLPZQUXCM-AXFHLTTASA-N -1 0 308.338 -0.475 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)CN2Cc3ccccc3C2=O)C1 ZINC001608600980 1019215280 /nfs/dbraw/zinc/21/52/80/1019215280.db2.gz IFEJOQXNCVVDNO-NEPJUHHUSA-N -1 0 318.329 -0.064 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001608600661 1019215547 /nfs/dbraw/zinc/21/55/47/1019215547.db2.gz DZOFNYWLEVSVCA-JGVFFNPUSA-N -1 0 306.278 -0.658 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2c[nH]cc(Cl)c2=O)C1 ZINC001608602465 1019215630 /nfs/dbraw/zinc/21/56/30/1019215630.db2.gz UFENVWPBIFYFKC-BQBZGAKWSA-N -1 0 300.698 -0.064 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2ccccc2-n2cnnn2)C1 ZINC001608601115 1019216543 /nfs/dbraw/zinc/21/65/43/1019216543.db2.gz HQAVWFRTEBUKSJ-ZJUUUORDSA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC(F)(F)CC2)C1 ZINC001608602320 1019216759 /nfs/dbraw/zinc/21/67/59/1019216759.db2.gz PKVWLXQICZGNSX-RKDXNWHRSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1nc3n(n1)CCCN3)CC2 ZINC001608609091 1019218566 /nfs/dbraw/zinc/21/85/66/1019218566.db2.gz LIEHYFWZMLFKNB-VIFPVBQESA-N -1 0 305.338 -0.322 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)N2CCCC(F)(F)C2)C1 ZINC001608603151 1019218900 /nfs/dbraw/zinc/21/89/00/1019218900.db2.gz VXRJRLKZBKJVOT-IUCAKERBSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC[C@H]2C2CC2)C1 ZINC001608603395 1019219393 /nfs/dbraw/zinc/21/93/93/1019219393.db2.gz WXTVRPAJYZHCHK-UTUOFQBUSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)c2cccnn2)CC1 ZINC001608609856 1019220772 /nfs/dbraw/zinc/22/07/72/1019220772.db2.gz DUJJGQMOKDPQLP-MNOVXSKESA-N -1 0 318.333 -0.128 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)Cc2cnc[nH]2)C1 ZINC001608610959 1019221975 /nfs/dbraw/zinc/22/19/75/1019221975.db2.gz MASDVIFYQZXOKD-GHMZBOCLSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001608610308 1019222120 /nfs/dbraw/zinc/22/21/20/1019222120.db2.gz HYGLQHHFOCWJDP-UWVGGRQHSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ncccn2)CC1 ZINC001608610109 1019222559 /nfs/dbraw/zinc/22/25/59/1019222559.db2.gz GZTACGMHMOIYAV-VHSXEESVSA-N -1 0 304.306 -0.518 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2n[nH]cc2F)CC1 ZINC001608610221 1019222994 /nfs/dbraw/zinc/22/29/94/1019222994.db2.gz HCJMIXWPIAATJW-SFYZADRCSA-N -1 0 310.285 -0.446 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ncccn3)C[C@H]21 ZINC001608610187 1019223013 /nfs/dbraw/zinc/22/30/13/1019223013.db2.gz IHIHXNHVAMSFTR-VLLVSFFDSA-N -1 0 302.334 -0.256 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]n1 ZINC001608610093 1019223118 /nfs/dbraw/zinc/22/31/18/1019223118.db2.gz GTPKKMDHOGSBQL-YTWAJWBKSA-N -1 0 318.333 -0.054 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc[nH]1 ZINC001608610657 1019223446 /nfs/dbraw/zinc/22/34/46/1019223446.db2.gz JZKCALSGFMTWOD-YTWAJWBKSA-N -1 0 318.333 -0.054 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ncccn3)C[C@H]21 ZINC001608611716 1019224101 /nfs/dbraw/zinc/22/41/01/1019224101.db2.gz URMTWSUGVMVCST-LADJIXMOSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]21 ZINC001608611629 1019224206 /nfs/dbraw/zinc/22/42/06/1019224206.db2.gz UMWPFIFKSOXIJI-KSFAHDSMSA-N -1 0 304.306 -0.683 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001608611856 1019224267 /nfs/dbraw/zinc/22/42/67/1019224267.db2.gz RTFGUEKBTODOGZ-QWRGUYRKSA-N -1 0 320.349 -0.266 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2ncccn2)CC1 ZINC001608611383 1019225378 /nfs/dbraw/zinc/22/53/78/1019225378.db2.gz PDKINWGHFVGJPV-WDEREUQCSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)Cn2ccnc2)C1 ZINC001608611603 1019225911 /nfs/dbraw/zinc/22/59/11/1019225911.db2.gz PXMNSEYZOHNKES-GHMZBOCLSA-N -1 0 306.322 -0.822 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ncccn3)C[C@H]21 ZINC001608611717 1019226166 /nfs/dbraw/zinc/22/61/66/1019226166.db2.gz URMTWSUGVMVCST-OGBGREFGSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CC1 ZINC001608611638 1019226567 /nfs/dbraw/zinc/22/65/67/1019226567.db2.gz UPPVANBXCAMQNJ-AATLWQCWSA-N -1 0 323.353 -0.252 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)Cn2ccnc2)CC1 ZINC001608611112 1019226750 /nfs/dbraw/zinc/22/67/50/1019226750.db2.gz NMKMQOBLNVGCIM-NEPJUHHUSA-N -1 0 320.349 -0.335 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCC1 ZINC001608612546 1019227931 /nfs/dbraw/zinc/22/79/31/1019227931.db2.gz XGNGHDPUKHQLAL-RNWYCLNJSA-N -1 0 322.361 -0.245 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(Cc2nnnn2C2CC2)C1 ZINC001608612081 1019227992 /nfs/dbraw/zinc/22/79/92/1019227992.db2.gz SOASAPVBCVKNQL-VHSXEESVSA-N -1 0 306.326 -0.971 20 0 DBADRM O=C([O-])C1CCC(S(=O)(=O)NCCN2CCNC2=O)CC1 ZINC001608619664 1019229366 /nfs/dbraw/zinc/22/93/66/1019229366.db2.gz SZDOZHDLYTUNJJ-UHFFFAOYSA-N -1 0 319.383 -0.426 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2cnccn2)C1 ZINC001608612158 1019229409 /nfs/dbraw/zinc/22/94/09/1019229409.db2.gz SWMNSDPJTOQCAB-NXEZZACHSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(CCO)CCOCCO)C1 ZINC001608620861 1019229820 /nfs/dbraw/zinc/22/98/20/1019229820.db2.gz UJEDMPBECDOPTM-NWDGAFQWSA-N -1 0 303.355 -0.293 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC001608626201 1019230940 /nfs/dbraw/zinc/23/09/40/1019230940.db2.gz HIJPDXGGIFRELN-ZDCRXTMVSA-N -1 0 307.368 -0.755 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)NCC1(CO)COC1 ZINC001608625966 1019231433 /nfs/dbraw/zinc/23/14/33/1019231433.db2.gz DAIQLOJZAFNHSD-ZJUUUORDSA-N -1 0 307.368 -0.442 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCSC[C@@H]2CO)C1=O ZINC001608628658 1019232161 /nfs/dbraw/zinc/23/21/61/1019232161.db2.gz HFEWDUVYVMPRKA-VHSXEESVSA-N -1 0 316.379 -0.754 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@H](n3cccn3)C2)C1=O ZINC001608629787 1019232873 /nfs/dbraw/zinc/23/28/73/1019232873.db2.gz SCUMVBIRAJFZAT-NWDGAFQWSA-N -1 0 320.349 -0.020 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c2ccccc21 ZINC001608641913 1019234143 /nfs/dbraw/zinc/23/41/43/1019234143.db2.gz CWYXSJXWEQGLJN-IGHBBLSQSA-N -1 0 319.313 -0.386 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2C[C@@H]2CC[C@@H](C3CC3)O2)CCO1 ZINC001608646103 1019234743 /nfs/dbraw/zinc/23/47/43/1019234743.db2.gz IDXLFGNKVZXQGY-SRVKXCTJSA-N -1 0 323.353 -0.080 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)NC[C@H]2COCCO2)C1 ZINC001608648297 1019235756 /nfs/dbraw/zinc/23/57/56/1019235756.db2.gz VYBWDHYQZALLDZ-ZJUUUORDSA-N -1 0 304.368 -0.139 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)C(=O)N2CCC[C@@H](O)C2)C1 ZINC001608647882 1019235799 /nfs/dbraw/zinc/23/57/99/1019235799.db2.gz FEOCUOPDSJAJKK-NXEZZACHSA-N -1 0 316.379 -0.754 20 0 DBADRM O=C([O-])CC(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC001608664268 1019236739 /nfs/dbraw/zinc/23/67/39/1019236739.db2.gz MVSCFARWUCOWLL-UHFFFAOYSA-N -1 0 309.200 -0.398 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)C1CC1 ZINC001608666445 1019236910 /nfs/dbraw/zinc/23/69/10/1019236910.db2.gz JAQVERNYQODJHC-VHSXEESVSA-N -1 0 324.337 -0.567 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC001608674916 1019237234 /nfs/dbraw/zinc/23/72/34/1019237234.db2.gz CTIVDVFJEZJVNP-ZJUUUORDSA-N -1 0 312.326 -0.123 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)CCOCc1ccccc1 ZINC001608675429 1019238366 /nfs/dbraw/zinc/23/83/66/1019238366.db2.gz KRLXXYAEKRZLER-LBPRGKRZSA-N -1 0 317.363 -0.042 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)c1c[nH]c2ncncc12 ZINC001608677075 1019239231 /nfs/dbraw/zinc/23/92/31/1019239231.db2.gz RSDKIGNFJQLNFT-LURJTMIESA-N -1 0 300.296 -0.977 20 0 DBADRM O=C([O-])CC1(CNC(=O)[C@H]2CCCS2(=O)=O)CCOCC1 ZINC001608677760 1019239605 /nfs/dbraw/zinc/23/96/05/1019239605.db2.gz IJMBIUFDOOMXLW-SNVBAGLBSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)c1ccc2c(c1)C(=O)CC2 ZINC001608677005 1019239680 /nfs/dbraw/zinc/23/96/80/1019239680.db2.gz NNZPEZGIYJULBN-VIFPVBQESA-N -1 0 313.331 -0.071 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC001608677181 1019239986 /nfs/dbraw/zinc/23/99/86/1019239986.db2.gz XJHUFTKMXLHCCC-MRVPVSSYSA-N -1 0 315.303 -0.529 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCC(=O)N2CCCC2)CC1 ZINC001608681688 1019240219 /nfs/dbraw/zinc/24/02/19/1019240219.db2.gz ZKSASSVZQWOSFS-UHFFFAOYSA-N -1 0 304.368 -0.217 20 0 DBADRM O=C([O-])CC1CC(NC(=O)CCN2C(=O)CCNC2=S)C1 ZINC001608690859 1019242612 /nfs/dbraw/zinc/24/26/12/1019242612.db2.gz FEGOOXLKONSGPC-UHFFFAOYSA-N -1 0 313.379 -0.147 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C[C@H](O)CC1(O)CCCC1 ZINC001608689297 1019242823 /nfs/dbraw/zinc/24/28/23/1019242823.db2.gz BBAMOXWTUZUUOH-MNOVXSKESA-N -1 0 300.355 -0.682 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C[C@H](O)CC1(O)CCCC1 ZINC001608689295 1019243428 /nfs/dbraw/zinc/24/34/28/1019243428.db2.gz BBAMOXWTUZUUOH-GHMZBOCLSA-N -1 0 300.355 -0.682 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCC(=O)c2cccn21 ZINC001608689484 1019243734 /nfs/dbraw/zinc/24/37/34/1019243734.db2.gz XAISVWRJWUWOBM-QWRGUYRKSA-N -1 0 319.317 -0.193 20 0 DBADRM O=C([O-])C[C@@]1(NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)CCOC1 ZINC001608688410 1019243954 /nfs/dbraw/zinc/24/39/54/1019243954.db2.gz LIJSAGJTIOKQOU-XNDJQWLSSA-N -1 0 305.352 -0.141 20 0 DBADRM O=C([O-])C[C@@]1(NS(=O)(=O)c2c[nH]nc2Cl)CCOC1 ZINC001608688988 1019244159 /nfs/dbraw/zinc/24/41/59/1019244159.db2.gz DABOVKIGCKDIGK-VIFPVBQESA-N -1 0 309.731 -0.025 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)N2CCSCC2)CCO1 ZINC001608699096 1019245007 /nfs/dbraw/zinc/24/50/07/1019245007.db2.gz YRIBLADHBBABTP-VIFPVBQESA-N -1 0 302.352 -0.736 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)NCCNC(=O)C1CC1 ZINC001608694956 1019245029 /nfs/dbraw/zinc/24/50/29/1019245029.db2.gz GNFGZORTIHKAAI-SNVBAGLBSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C[C@H]2C=CS(=O)(=O)C2)CCO1 ZINC001608699234 1019245206 /nfs/dbraw/zinc/24/52/06/1019245206.db2.gz DWULTXNHDLAPPR-ZJUUUORDSA-N -1 0 303.336 -0.363 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)c2ccnc3[nH]c(=O)[nH]c32)CCO1 ZINC001608700238 1019245362 /nfs/dbraw/zinc/24/53/62/1019245362.db2.gz BBLUHQADOLQGRB-ZETCQYMHSA-N -1 0 306.278 -0.021 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)NCCNC(=O)C1CC1 ZINC001608694955 1019245638 /nfs/dbraw/zinc/24/56/38/1019245638.db2.gz GNFGZORTIHKAAI-JTQLQIEISA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C[C@H]2C=CS(=O)(=O)C2)CCO1 ZINC001608699231 1019246620 /nfs/dbraw/zinc/24/66/20/1019246620.db2.gz DWULTXNHDLAPPR-NXEZZACHSA-N -1 0 303.336 -0.363 20 0 DBADRM O=C([O-])COCC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC001574730191 1019246830 /nfs/dbraw/zinc/24/68/30/1019246830.db2.gz GVHRNWOULSFORE-VXGBXAGGSA-N -1 0 312.366 -0.153 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001608703314 1019247518 /nfs/dbraw/zinc/24/75/18/1019247518.db2.gz RBBUBBPAXKPCOG-CNVPUSNMSA-N -1 0 317.363 -0.488 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CC[C@](O)(C2CC2)C1 ZINC001574730852 1019247388 /nfs/dbraw/zinc/24/73/88/1019247388.db2.gz LQQIAFCWLUYNSP-CQSZACIVSA-N -1 0 316.354 -0.339 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001574732125 1019247940 /nfs/dbraw/zinc/24/79/40/1019247940.db2.gz YUIWSECRNDCUJV-UHFFFAOYSA-N -1 0 324.293 -0.718 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)OC1CCOCC1 ZINC001608703485 1019248107 /nfs/dbraw/zinc/24/81/07/1019248107.db2.gz XBQYBDHDYHDZEX-VIFPVBQESA-N -1 0 321.351 -0.124 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCC=CO1 ZINC001608702636 1019248747 /nfs/dbraw/zinc/24/87/47/1019248747.db2.gz VIKWCHBLZYLTJC-ZJUUUORDSA-N -1 0 303.336 -0.221 20 0 DBADRM O=C([O-])CCCCCCNC(=O)N1CC2(C1)NC(=O)NC2=O ZINC001608710755 1019248788 /nfs/dbraw/zinc/24/87/88/1019248788.db2.gz MNFICHPDUGLNJU-UHFFFAOYSA-N -1 0 312.326 -0.375 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001608701417 1019249137 /nfs/dbraw/zinc/24/91/37/1019249137.db2.gz AZXRIZZSROTLDU-VHSXEESVSA-N -1 0 322.321 -0.535 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC001608718328 1019249823 /nfs/dbraw/zinc/24/98/23/1019249823.db2.gz LMMWNLPYYMLCQL-PHIMTYICSA-N -1 0 306.384 -0.366 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC2(CNC(=O)O2)CC1 ZINC001608718051 1019249915 /nfs/dbraw/zinc/24/99/15/1019249915.db2.gz QYZBVFRBIRGCQI-UHFFFAOYSA-N -1 0 306.340 -0.245 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1nc2n(n1)CCCN2 ZINC001608721471 1019250259 /nfs/dbraw/zinc/25/02/59/1019250259.db2.gz WCTZABCIZQMBQP-SNVBAGLBSA-N -1 0 323.353 -0.553 20 0 DBADRM O=C([O-])CCCNC(=O)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001608714576 1019251102 /nfs/dbraw/zinc/25/11/02/1019251102.db2.gz NISBIWQBKDFJPN-VHSXEESVSA-N -1 0 304.368 -0.073 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)Cn2cc(C3CC3)nn2)C1=O ZINC001608724919 1019251906 /nfs/dbraw/zinc/25/19/06/1019251906.db2.gz ZYMFYGNTMVOZIE-NSHDSACASA-N -1 0 322.321 -0.226 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC001608727317 1019252415 /nfs/dbraw/zinc/25/24/15/1019252415.db2.gz LTOWNMQYGKURHJ-MNOVXSKESA-N -1 0 313.354 -0.355 20 0 DBADRM O=C([O-])CCN1CCC[C@H](OC(=O)Cn2ccccc2=O)C1=O ZINC001608726618 1019252487 /nfs/dbraw/zinc/25/24/87/1019252487.db2.gz VFNFDJSBBVDPQA-NSHDSACASA-N -1 0 322.317 -0.143 20 0 DBADRM NC(=O)Cn1cc(NC(=O)c2ccc(C(=O)[O-])[nH]2)ccc1=O ZINC001574798320 1019254923 /nfs/dbraw/zinc/25/49/23/1019254923.db2.gz MLLPVJHHNWLRJD-UHFFFAOYSA-N -1 0 304.262 -0.388 20 0 DBADRM O=C([O-])CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N2)cc1 ZINC001608729984 1019256171 /nfs/dbraw/zinc/25/61/71/1019256171.db2.gz AEJMBOXCEIFHPI-JTQLQIEISA-N -1 0 305.290 -0.282 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCCOc1cccnc1 ZINC001608728169 1019256841 /nfs/dbraw/zinc/25/68/41/1019256841.db2.gz SYILTIYMQJAOLL-UHFFFAOYSA-N -1 0 324.337 -0.259 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCN3CCOC[C@H]3C2)O1 ZINC001608736209 1019257428 /nfs/dbraw/zinc/25/74/28/1019257428.db2.gz ZVZLTHPIZRWTPU-FRRDWIJNSA-N -1 0 312.366 -0.058 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001608729861 1019257758 /nfs/dbraw/zinc/25/77/58/1019257758.db2.gz ZBCQRTQFGRWYSZ-UHFFFAOYSA-N -1 0 308.250 -0.817 20 0 DBADRM O=C([O-])CN1CCN(C(=O)c2ccnc3[nH]c(=O)[nH]c32)CC1 ZINC001608749132 1019259157 /nfs/dbraw/zinc/25/91/57/1019259157.db2.gz NSCRCPWPGUBAAM-UHFFFAOYSA-N -1 0 305.294 -0.494 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCc1nc(-c2ccncc2)no1 ZINC001574806180 1019259914 /nfs/dbraw/zinc/25/99/14/1019259914.db2.gz TVLOIVHRKAVKQI-VIFPVBQESA-N -1 0 306.278 -0.374 20 0 DBADRM O=C([O-])CN(CCC(F)(F)F)C(=O)c1nc2n(n1)CCCN2 ZINC001608744849 1019260251 /nfs/dbraw/zinc/26/02/51/1019260251.db2.gz CZYLFXVZNYYYHZ-UHFFFAOYSA-N -1 0 321.259 -0.170 20 0 DBADRM O=C([O-])CN1CCN(C(=O)c2cc3n(n2)CCC[C@@H]3O)CC1 ZINC001608749266 1019260776 /nfs/dbraw/zinc/26/07/76/1019260776.db2.gz VRDCPXOMEWQBEJ-LBPRGKRZSA-N -1 0 308.338 -0.447 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)COCc1ccncc1 ZINC001608750142 1019261299 /nfs/dbraw/zinc/26/12/99/1019261299.db2.gz GWQJHCDRPQVGNY-LBPRGKRZSA-N -1 0 321.333 -0.210 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)COCc1ccncc1 ZINC001608750141 1019261913 /nfs/dbraw/zinc/26/19/13/1019261913.db2.gz GWQJHCDRPQVGNY-GFCCVEGCSA-N -1 0 321.333 -0.210 20 0 DBADRM O=C([O-])CN1CCN(C(=O)C[C@H]2CCCS2(=O)=O)CC1 ZINC001608748920 1019261970 /nfs/dbraw/zinc/26/19/70/1019261970.db2.gz BGVOUTDLVWUIPC-SNVBAGLBSA-N -1 0 304.368 -0.818 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1ccc(O)cn1 ZINC001608745691 1019262033 /nfs/dbraw/zinc/26/20/33/1019262033.db2.gz GJYULSCRRHYCJT-UHFFFAOYSA-N -1 0 309.322 -0.354 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1cnc2cc(F)c(F)cc2c1O ZINC001574814154 1019263105 /nfs/dbraw/zinc/26/31/05/1019263105.db2.gz YVLNFUAMXDLHEW-JTQLQIEISA-N -1 0 312.228 -0.018 20 0 DBADRM O=C([O-])CNC(=O)C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC001608752644 1019263041 /nfs/dbraw/zinc/26/30/41/1019263041.db2.gz HVJGVBDLYNKSSL-UHFFFAOYSA-N -1 0 314.367 -0.730 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1cn2c(n1)CCC2 ZINC001608751420 1019263566 /nfs/dbraw/zinc/26/35/66/1019263566.db2.gz PACNQORMHZROLT-SNVBAGLBSA-N -1 0 306.322 -0.365 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1nn2c(c1Br)CCC2 ZINC001574813619 1019263361 /nfs/dbraw/zinc/26/33/61/1019263361.db2.gz QBZHYFNXJMRBLM-YFKPBYRVSA-N -1 0 318.127 -0.233 20 0 DBADRM O=C([O-])c1cccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC001574817521 1019263710 /nfs/dbraw/zinc/26/37/10/1019263710.db2.gz IGUDDVLGZLTOCO-NXEZZACHSA-N -1 0 314.319 -0.336 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O ZINC001608752055 1019264138 /nfs/dbraw/zinc/26/41/38/1019264138.db2.gz JXBOVLGNPAQFQJ-MNOVXSKESA-N -1 0 320.301 -0.392 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccc2c1OCCCO2 ZINC001608752626 1019264183 /nfs/dbraw/zinc/26/41/83/1019264183.db2.gz GTEKIWRAJNSDNW-UHFFFAOYSA-N -1 0 308.290 -0.222 20 0 DBADRM O=C([O-])CNC(=O)CC[NH2+][C@H]1c2ccccc2OC[C@H]1CO ZINC001608752023 1019264861 /nfs/dbraw/zinc/26/48/61/1019264861.db2.gz ITVLGFNGZNSRNW-MEBBXXQBSA-N -1 0 308.334 -0.091 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cnc2c(c1)NC(=O)CS2 ZINC001608752697 1019265033 /nfs/dbraw/zinc/26/50/33/1019265033.db2.gz KORVYCDPDCPEGA-UHFFFAOYSA-N -1 0 324.318 -0.944 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cnnn1-c1cccc(F)c1 ZINC001608752622 1019265547 /nfs/dbraw/zinc/26/55/47/1019265547.db2.gz GKZBMGYFGMSUCJ-UHFFFAOYSA-N -1 0 321.268 -0.663 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc(-c2cccnc2)on1 ZINC001608753204 1019266338 /nfs/dbraw/zinc/26/63/38/1019266338.db2.gz QPHDTARILZEQGM-UHFFFAOYSA-N -1 0 304.262 -0.333 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001608757390 1019267135 /nfs/dbraw/zinc/26/71/35/1019267135.db2.gz XVFUWOAEMSNOFO-JTQLQIEISA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1c[nH]nc1-c1ccncc1 ZINC001608752851 1019267442 /nfs/dbraw/zinc/26/74/42/1019267442.db2.gz AFYVFTGRQDKFKD-UHFFFAOYSA-N -1 0 303.278 -0.598 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCc2cc(F)ccc21 ZINC001608756882 1019268173 /nfs/dbraw/zinc/26/81/73/1019268173.db2.gz GPWBXRADXGWKCJ-UHFFFAOYSA-N -1 0 310.281 -0.068 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCCCCNC(=O)CC1 ZINC001608757404 1019268466 /nfs/dbraw/zinc/26/84/66/1019268466.db2.gz YREROFQQDFBNOX-UHFFFAOYSA-N -1 0 301.343 -0.211 20 0 DBADRM O=C([O-])CSCCC(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001608766759 1019269987 /nfs/dbraw/zinc/26/99/87/1019269987.db2.gz CPNUVSBEYLHWOB-UHFFFAOYSA-N -1 0 311.323 -0.758 20 0 DBADRM O=C([O-])Cn1cc(CN2CC[C@@H](NC(=O)NC3CC3)C2)nn1 ZINC001608797230 1019273703 /nfs/dbraw/zinc/27/37/03/1019273703.db2.gz WJCMLRAWAOGYRV-SNVBAGLBSA-N -1 0 308.342 -0.601 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2CO[C@H](C3CC3)C2)cn1 ZINC001608798158 1019274288 /nfs/dbraw/zinc/27/42/88/1019274288.db2.gz NCLPHYRQAAWLBO-ONGXEEELSA-N -1 0 315.351 -0.187 20 0 DBADRM O=C([O-])Cn1cc(CCCOC(=O)[C@]2(F)CCOC2)nn1 ZINC001608796244 1019275019 /nfs/dbraw/zinc/27/50/19/1019275019.db2.gz LKCXYPHKHNTRNV-LBPRGKRZSA-N -1 0 301.274 -0.033 20 0 DBADRM O=C([O-])Cn1cc(CN2CCC(N3CCOC3=O)CC2)nn1 ZINC001608796890 1019275554 /nfs/dbraw/zinc/27/55/54/1019275554.db2.gz ALLIWNCDCHXBAP-UHFFFAOYSA-N -1 0 309.326 -0.221 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@@H]2CCCS(=O)(=O)C2)n[nH]1 ZINC001608793495 1019275724 /nfs/dbraw/zinc/27/57/24/1019275724.db2.gz XTJJRJZLNCXSKP-ZCFIWIBFSA-N -1 0 302.312 -0.805 20 0 DBADRM O=C([O-])Cc1nnn(CCS(=O)(=O)c2ccc(F)cc2)n1 ZINC001608793914 1019275817 /nfs/dbraw/zinc/27/58/17/1019275817.db2.gz WJWFPPIOWKXROT-UHFFFAOYSA-N -1 0 314.298 -0.087 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)C[C@H]2CCS(=O)(=O)C2)n[nH]1 ZINC001608793322 1019276343 /nfs/dbraw/zinc/27/63/43/1019276343.db2.gz LQKABQUUPVVRSU-ZCFIWIBFSA-N -1 0 302.312 -0.805 20 0 DBADRM O=C([O-])Cc1occc1C(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001608793973 1019276951 /nfs/dbraw/zinc/27/69/51/1019276951.db2.gz YWYSHOCFQPOCHD-HNNXBMFYSA-N -1 0 324.333 -0.574 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2C[C@H](CCO)[C@H](CO)C2)C1 ZINC001608805447 1019277956 /nfs/dbraw/zinc/27/79/56/1019277956.db2.gz QOGCHLRAFWGFMV-RHYQMDGZSA-N -1 0 321.395 -0.508 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1ccc(O)cc1 ZINC001608806817 1019278344 /nfs/dbraw/zinc/27/83/44/1019278344.db2.gz MLAQNSWPTTVCKQ-NWDGAFQWSA-N -1 0 317.305 -0.295 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccnc(-n3cncn3)c2)O1 ZINC001608804377 1019278526 /nfs/dbraw/zinc/27/85/26/1019278526.db2.gz RJJQPICHZAQOAQ-MNOVXSKESA-N -1 0 317.305 -0.089 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)n1 ZINC001608798534 1019278674 /nfs/dbraw/zinc/27/86/74/1019278674.db2.gz USKNZMJUWYFFNP-QMMMGPOBSA-N -1 0 301.324 -0.269 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCN2C(=O)CNC2=O)C[C@H]1C1CC1 ZINC001608807492 1019279000 /nfs/dbraw/zinc/27/90/00/1019279000.db2.gz UIJRLFVOMAKFTK-VHSXEESVSA-N -1 0 324.337 -0.710 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)n1 ZINC001608798533 1019279070 /nfs/dbraw/zinc/27/90/70/1019279070.db2.gz USKNZMJUWYFFNP-MRVPVSSYSA-N -1 0 301.324 -0.269 20 0 DBADRM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1nc2n(n1)CCCN2 ZINC001608801827 1019279450 /nfs/dbraw/zinc/27/94/50/1019279450.db2.gz AHDBXIUVMGGVMJ-LURJTMIESA-N -1 0 301.253 -0.714 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC001608801020 1019279744 /nfs/dbraw/zinc/27/97/44/1019279744.db2.gz DMHBTDZOFZHXLF-MNOVXSKESA-N -1 0 303.334 -0.085 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNS(=O)(=O)CCn2ccnc2)C1(F)F ZINC001608815572 1019281001 /nfs/dbraw/zinc/28/10/01/1019281001.db2.gz IIHXPBOTWXFSAT-YUMQZZPRSA-N -1 0 309.294 -0.232 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001608815222 1019281459 /nfs/dbraw/zinc/28/14/59/1019281459.db2.gz DHVZUGKGGOYAMR-ICDRFISMSA-N -1 0 302.352 -0.609 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)C[C@@H]21 ZINC001608815960 1019281727 /nfs/dbraw/zinc/28/17/27/1019281727.db2.gz KWLTVZWXSQQIJY-REIXXSIJSA-N -1 0 319.404 -0.304 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cc(N2CCOCC2)ccn1 ZINC001608810364 1019281777 /nfs/dbraw/zinc/28/17/77/1019281777.db2.gz UVTDMYMAJVNWAD-YPMHNXCESA-N -1 0 321.333 -0.422 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cn(-c2cccnc2)nn1 ZINC001608810530 1019281948 /nfs/dbraw/zinc/28/19/48/1019281948.db2.gz GCINDFAULBZSAL-KOLCDFICSA-N -1 0 303.278 -0.678 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNS(=O)(=O)CC[C@@H]1CCOC1 ZINC001608815326 1019282090 /nfs/dbraw/zinc/28/20/90/1019282090.db2.gz NNBHNXUXSDORTJ-HBNTYKKESA-N -1 0 307.368 -0.178 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)NCc3nnnn3CC3CC3)C[C@@H]21 ZINC001608816296 1019283095 /nfs/dbraw/zinc/28/30/95/1019283095.db2.gz DINQBRZUYKDZJP-JZYVYDRUSA-N -1 0 306.326 -0.445 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCOC1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574874077 1019284094 /nfs/dbraw/zinc/28/40/94/1019284094.db2.gz BLBKGLRPFXABIF-RKDXNWHRSA-N -1 0 318.341 -0.968 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)C1 ZINC001608821547 1019284733 /nfs/dbraw/zinc/28/47/33/1019284733.db2.gz WKIBCWGPHZEACG-GBIKHYSHSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)Cn1cc(-c2ccccc2)nn1 ZINC001608823144 1019286104 /nfs/dbraw/zinc/28/61/04/1019286104.db2.gz AZGXFSZKMPPVLB-DGCLKSJQSA-N -1 0 316.317 -0.009 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCC2CC3(C2)OCCO3)C1 ZINC001608824275 1019286952 /nfs/dbraw/zinc/28/69/52/1019286952.db2.gz ONFVQRDVBBJZAW-AOOOYVTPSA-N -1 0 305.352 -0.078 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCN2CCCCC2)n[nH]1 ZINC001608861617 1019289367 /nfs/dbraw/zinc/28/93/67/1019289367.db2.gz FBKMPMZQYXMWGX-UHFFFAOYSA-N -1 0 302.356 -0.128 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCCC23OCCO3)n[nH]1 ZINC001608860754 1019290821 /nfs/dbraw/zinc/29/08/21/1019290821.db2.gz YOGQYAYMXUCNKG-MRVPVSSYSA-N -1 0 317.323 -0.318 20 0 DBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)c1 ZINC001608850677 1019290946 /nfs/dbraw/zinc/29/09/46/1019290946.db2.gz DBZYISCNWQKXKF-GHMZBOCLSA-N -1 0 319.310 -0.048 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCCC3(C2)OCCO3)n[nH]1 ZINC001608859557 1019291272 /nfs/dbraw/zinc/29/12/72/1019291272.db2.gz YRYJNNODDGHNKE-UHFFFAOYSA-N -1 0 317.323 -0.365 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC001608880218 1019291847 /nfs/dbraw/zinc/29/18/47/1019291847.db2.gz WWSPYCHWHFMLDI-PHIMTYICSA-N -1 0 302.286 -0.342 20 0 DBADRM O=C([O-])c1ccc(C(=O)N(CCO)CCOCCO)c(F)c1 ZINC001608871597 1019292359 /nfs/dbraw/zinc/29/23/59/1019292359.db2.gz BGUINWLREOZKAR-UHFFFAOYSA-N -1 0 315.297 -0.033 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N2CCCS(=O)(=O)CC2)cn1 ZINC001608879781 1019293209 /nfs/dbraw/zinc/29/32/09/1019293209.db2.gz XEKVTHYBBUTPCE-UHFFFAOYSA-N -1 0 312.347 -0.031 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC2CC(CO)(CO)C2)cn1 ZINC001608911521 1019296461 /nfs/dbraw/zinc/29/64/61/1019296461.db2.gz PCMSVRRRBAQXGI-UHFFFAOYSA-N -1 0 316.335 -0.809 20 0 DBADRM O=C([O-])c1ccccc1CS(=O)(=O)N[C@@H]1COC[C@H]1O ZINC001608947804 1019296756 /nfs/dbraw/zinc/29/67/56/1019296756.db2.gz KPSRJUYZOJUPQK-GHMZBOCLSA-N -1 0 301.320 -0.436 20 0 DBADRM O=C([O-])c1cccc(CS(=O)(=O)NC[C@H]2COCCN2)c1 ZINC001608932650 1019297070 /nfs/dbraw/zinc/29/70/70/1019297070.db2.gz VSJMXLASJMNNIL-LBPRGKRZSA-N -1 0 314.363 -0.207 20 0 DBADRM O=C([O-])c1cccc(C(=O)NC[C@]23COC(=O)N2CCOC3)n1 ZINC001608929101 1019297181 /nfs/dbraw/zinc/29/71/81/1019297181.db2.gz VFHYIFVEAOAXFV-AWEZNQCLSA-N -1 0 321.289 -0.269 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC001608949159 1019297230 /nfs/dbraw/zinc/29/72/30/1019297230.db2.gz CFYXHODTRUTUAJ-NXEZZACHSA-N -1 0 301.320 -0.187 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)nn1 ZINC001608960416 1019297839 /nfs/dbraw/zinc/29/78/39/1019297839.db2.gz GNLZQOGRDUCQHB-JTQLQIEISA-N -1 0 303.278 -0.303 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001608956049 1019297882 /nfs/dbraw/zinc/29/78/82/1019297882.db2.gz CJANYGRYUKLNGZ-QEYXHICPSA-N -1 0 305.333 -0.128 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)NCc3cnccn3)C2)nn1 ZINC001608960810 1019297938 /nfs/dbraw/zinc/29/79/38/1019297938.db2.gz VZKUQDRIOYGQGA-JTQLQIEISA-N -1 0 317.309 -0.077 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(S(=O)(=O)NC3CC3)C2)nn1 ZINC001608962530 1019297960 /nfs/dbraw/zinc/29/79/60/1019297960.db2.gz UYAYSOIQDKNHOR-QMMMGPOBSA-N -1 0 301.328 -0.780 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)C[C@@H]3CCNC3=O)C2)nn1 ZINC001608957414 1019298106 /nfs/dbraw/zinc/29/81/06/1019298106.db2.gz CDOJAJIYPZXZNH-VHSXEESVSA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H](c3nnc[nH]3)C2)nn1 ZINC001608963235 1019298114 /nfs/dbraw/zinc/29/81/14/1019298114.db2.gz FEGNUHFNVMJPHE-QMMMGPOBSA-N -1 0 305.298 -0.499 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCN(Cc3cn[nH]c3)CC2)nn1 ZINC001608963251 1019298353 /nfs/dbraw/zinc/29/83/53/1019298353.db2.gz FZVSDGVXLUGLKZ-UHFFFAOYSA-N -1 0 319.325 -0.956 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)CCN3CCCC3=O)C2)nn1 ZINC001608959807 1019298436 /nfs/dbraw/zinc/29/84/36/1019298436.db2.gz LIWBGRZXHDBMBC-SNVBAGLBSA-N -1 0 321.337 -0.238 20 0 DBADRM O=C([O-])c1cn(C2CCN(S(=O)(=O)C3COC3)CC2)nn1 ZINC001608962275 1019298981 /nfs/dbraw/zinc/29/89/81/1019298981.db2.gz PYCOAHFXBTUNJU-UHFFFAOYSA-N -1 0 316.339 -0.658 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)[C@@H](O)c3cccnc3)C2)nn1 ZINC001608959211 1019299215 /nfs/dbraw/zinc/29/92/15/1019299215.db2.gz ORVQAQZPMWASBX-PWSUYJOCSA-N -1 0 317.305 -0.122 20 0 DBADRM O=C([O-])c1cn(C2CCN(S(=O)(=O)N3CCC3)CC2)nn1 ZINC001608962037 1019300136 /nfs/dbraw/zinc/30/01/36/1019300136.db2.gz KJDKXLHHAOTABW-UHFFFAOYSA-N -1 0 315.355 -0.436 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)nn1 ZINC001608962514 1019300428 /nfs/dbraw/zinc/30/04/28/1019300428.db2.gz SMTYSLRSBZGGLU-MRVPVSSYSA-N -1 0 316.321 -0.112 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H](c3nnc[nH]3)C2)nn1 ZINC001608963234 1019300517 /nfs/dbraw/zinc/30/05/17/1019300517.db2.gz FEGNUHFNVMJPHE-MRVPVSSYSA-N -1 0 305.298 -0.499 20 0 DBADRM C[C@@H](CNC(=O)CCCF)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574904665 1019301177 /nfs/dbraw/zinc/30/11/77/1019301177.db2.gz PRMCNCOEPVNYMH-SECBINFHSA-N -1 0 322.348 -0.008 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)Cn3cncn3)CC2)nc1 ZINC001608975170 1019301366 /nfs/dbraw/zinc/30/13/66/1019301366.db2.gz LWRLJZRPSOBZOJ-UHFFFAOYSA-N -1 0 317.309 -0.885 20 0 DBADRM O=C([O-])c1cnc(C(=O)N[C@@H](CO)Cc2cncs2)cn1 ZINC001608966016 1019302556 /nfs/dbraw/zinc/30/25/56/1019302556.db2.gz XVJHLYRKCYJGHM-SSDOTTSWSA-N -1 0 308.319 -0.035 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCC[C@@H]2CNC(=O)C2)C1 ZINC001609036339 1019316962 /nfs/dbraw/zinc/31/69/62/1019316962.db2.gz SHSQHPMVBHVLHV-AEJSXWLSSA-N -1 0 304.368 -0.315 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCNC[C@@H]2c2cccnc2)nn1 ZINC001608963583 1019303128 /nfs/dbraw/zinc/30/31/28/1019303128.db2.gz YSTMRLPPHSCWLS-GFCCVEGCSA-N -1 0 316.321 -0.456 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)c2cc[nH]c2)nc1 ZINC001608976981 1019304432 /nfs/dbraw/zinc/30/44/32/1019304432.db2.gz PLCWBZWZEOXRFC-SNVBAGLBSA-N -1 0 305.294 -0.294 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N[C@@H](CO)[C@H]2CCOC2)c1 ZINC001608982527 1019305835 /nfs/dbraw/zinc/30/58/35/1019305835.db2.gz NKUCUOYTOPONFJ-KWQFWETISA-N -1 0 316.335 -0.545 20 0 DBADRM O=C([O-])c1cnc(NCCNS(=O)(=O)c2cccnc2)nc1 ZINC001608977620 1019306333 /nfs/dbraw/zinc/30/63/33/1019306333.db2.gz SGFDRWIKTMCQAK-UHFFFAOYSA-N -1 0 323.334 -0.040 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)NCCN2CCNC2=O)c1 ZINC001608983180 1019306559 /nfs/dbraw/zinc/30/65/59/1019306559.db2.gz RLEJWESKSFHQKM-UHFFFAOYSA-N -1 0 314.323 -0.917 20 0 DBADRM O=C([O-])c1cncc(CN2CCN3CCOC[C@@]3(CO)C2)c1 ZINC001608980928 1019306573 /nfs/dbraw/zinc/30/65/73/1019306573.db2.gz WEOSIFDVEOVJOA-HNNXBMFYSA-N -1 0 307.350 -0.341 20 0 DBADRM O=C([O-])c1cncc(N2CCN(CC(F)(F)CO)CC2)n1 ZINC001608981561 1019306619 /nfs/dbraw/zinc/30/66/19/1019306619.db2.gz WNWDWLLVFVYAAY-UHFFFAOYSA-N -1 0 302.281 -0.076 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)[C@@H]3CCOC3)C2)n1 ZINC001608999848 1019308327 /nfs/dbraw/zinc/30/83/27/1019308327.db2.gz WFQATFVWDHMSML-ZJUUUORDSA-N -1 0 306.322 -0.354 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)[C@H]3COCCO3)C2)n1 ZINC001608999543 1019308470 /nfs/dbraw/zinc/30/84/70/1019308470.db2.gz FHXDPAIFZSLNIF-VHSXEESVSA-N -1 0 322.321 -0.975 20 0 DBADRM O=C([O-])c1nccc(N2CCN(C(=O)[C@@]3(F)CCOC3)CC2)n1 ZINC001608997529 1019309115 /nfs/dbraw/zinc/30/91/15/1019309115.db2.gz FETQECPYJROWAW-CQSZACIVSA-N -1 0 324.312 -0.048 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)C2(C3CC3)CC2)n1 ZINC001608999159 1019309361 /nfs/dbraw/zinc/30/93/61/1019309361.db2.gz OGTLVJRSOFCMTE-SNVBAGLBSA-N -1 0 320.349 -0.324 20 0 DBADRM O=C([O-])c1csc(S(=O)(=O)NC2CC(CO)(CO)C2)c1 ZINC001608993430 1019309478 /nfs/dbraw/zinc/30/94/78/1019309478.db2.gz LPSNCNUBQMWSJK-UHFFFAOYSA-N -1 0 321.376 -0.142 20 0 DBADRM O=C([O-])c1nc(N2CCC[C@@H]2CNC(=O)c2nnc[n-]2)cc[nH+]1 ZINC001608997987 1019309567 /nfs/dbraw/zinc/30/95/67/1019309567.db2.gz VVSDZOLTXXIFMO-MRVPVSSYSA-N -1 0 317.309 -0.308 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)C3=COCCO3)C2)n1 ZINC001608999736 1019309621 /nfs/dbraw/zinc/30/96/21/1019309621.db2.gz PSASENFUXFBATJ-SECBINFHSA-N -1 0 320.305 -0.502 20 0 DBADRM O=C([O-])c1nc(C(=O)N2CCN(c3nc[nH]n3)CC2)cs1 ZINC001608995380 1019309745 /nfs/dbraw/zinc/30/97/45/1019309745.db2.gz UMGMATGAGKVERL-UHFFFAOYSA-N -1 0 308.323 -0.078 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N[C@H](CO)[C@@H]1CCOC1 ZINC001609003531 1019311064 /nfs/dbraw/zinc/31/10/64/1019311064.db2.gz QFTPWHFMIDEXIZ-RNFRBKRXSA-N -1 0 322.364 -0.483 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N[C@@H](CO)c1ncc[nH]1 ZINC001609005273 1019312140 /nfs/dbraw/zinc/31/21/40/1019312140.db2.gz LWTYULIUBDEPGX-YFKPBYRVSA-N -1 0 318.336 -0.424 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC001609005550 1019313314 /nfs/dbraw/zinc/31/33/14/1019313314.db2.gz ZROXKVLCLCNZGB-PHDIDXHHSA-N -1 0 308.337 -0.731 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CC(=O)N(C2CC2)C1 ZINC001609003554 1019313596 /nfs/dbraw/zinc/31/35/96/1019313596.db2.gz QYKJZTGJUFKZKM-UHFFFAOYSA-N -1 0 317.348 -0.206 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2cc(F)ccc2N2CCOCC2)C1 ZINC001609027452 1019314101 /nfs/dbraw/zinc/31/41/01/1019314101.db2.gz AMOBGLMYLMCXNL-UHFFFAOYSA-N -1 0 324.308 -0.066 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC001609028132 1019314179 /nfs/dbraw/zinc/31/41/79/1019314179.db2.gz GMCCLGQRBZIZOC-HNNXBMFYSA-N -1 0 319.317 -0.122 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)CCOC1 ZINC001609028404 1019314716 /nfs/dbraw/zinc/31/47/16/1019314716.db2.gz XGPKOHBAXNNWLL-CQSZACIVSA-N -1 0 322.321 -0.816 20 0 DBADRM O=C([O-])c1cc(C2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)[nH]n1 ZINC001609035921 1019315776 /nfs/dbraw/zinc/31/57/76/1019315776.db2.gz QZEWRYGSRXSVHF-LURJTMIESA-N -1 0 306.278 -0.914 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)nn1 ZINC001609038057 1019316192 /nfs/dbraw/zinc/31/61/92/1019316192.db2.gz ONIWAYICQPAWHY-NXEZZACHSA-N -1 0 321.337 -0.192 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)NCC[C@H]2CNC(=O)C2)C1 ZINC001609035454 1019316328 /nfs/dbraw/zinc/31/63/28/1019316328.db2.gz PKLQEXGAPWEATF-NXEZZACHSA-N -1 0 315.395 -0.028 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001609034391 1019317352 /nfs/dbraw/zinc/31/73/52/1019317352.db2.gz NLCOCEUILFSGIH-RKDXNWHRSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001609034385 1019317536 /nfs/dbraw/zinc/31/75/36/1019317536.db2.gz NDWGWTUMILOYBC-UWVGGRQHSA-N -1 0 314.338 -0.375 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)on1 ZINC001609043522 1019317946 /nfs/dbraw/zinc/31/79/46/1019317946.db2.gz BOZVWAMNNGIJOO-LBPRGKRZSA-N -1 0 308.250 -0.813 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)cn1 ZINC001609041680 1019318579 /nfs/dbraw/zinc/31/85/79/1019318579.db2.gz QOURWQDKIQYSRY-RYUDHWBXSA-N -1 0 319.317 -0.562 20 0 DBADRM O=C([O-])c1csc(NC(=O)NCCN2CCNC(=O)C2)c1 ZINC001609041085 1019319293 /nfs/dbraw/zinc/31/92/93/1019319293.db2.gz NYZWTUKSINGDEL-UHFFFAOYSA-N -1 0 312.351 0.000 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)n1 ZINC001609040792 1019319760 /nfs/dbraw/zinc/31/97/60/1019319760.db2.gz YIRFAKMTLWPSRF-ONGXEEELSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)[C@H]([C@@H]2CCCO2)C1 ZINC001609046062 1019320820 /nfs/dbraw/zinc/32/08/20/1019320820.db2.gz YNYQZFPHYJZSPJ-VLEAKVRGSA-N -1 0 312.322 -0.034 20 0 DBADRM O=C([O-])[C@@H](c1ccsc1)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001609045254 1019321209 /nfs/dbraw/zinc/32/12/09/1019321209.db2.gz PCCHRUQVYOSDMB-NXEZZACHSA-N -1 0 309.347 -0.484 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001609044522 1019321308 /nfs/dbraw/zinc/32/13/08/1019321308.db2.gz WEKKIGIISQBSDG-VGRMVHKJSA-N -1 0 324.255 -0.198 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC001609046667 1019321390 /nfs/dbraw/zinc/32/13/90/1019321390.db2.gz VFYVIJPUEZBQLB-YUSALJHKSA-N -1 0 305.286 -0.186 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001609044511 1019321883 /nfs/dbraw/zinc/32/18/83/1019321883.db2.gz WEKKIGIISQBSDG-DKXJUACHSA-N -1 0 324.255 -0.198 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)NCCO2 ZINC001609045283 1019322029 /nfs/dbraw/zinc/32/20/29/1019322029.db2.gz PXZAGOSLYHDWAI-MWLCHTKSSA-N -1 0 320.301 -0.531 20 0 DBADRM O=C([O-])[C@H](c1ccsc1)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001609045255 1019322134 /nfs/dbraw/zinc/32/21/34/1019322134.db2.gz PCCHRUQVYOSDMB-UWVGGRQHSA-N -1 0 309.347 -0.484 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001609044899 1019322674 /nfs/dbraw/zinc/32/26/74/1019322674.db2.gz BKKNTKNSVBWUGK-IUCAKERBSA-N -1 0 322.317 -0.137 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCCN2CCOC2=O)CC1 ZINC001609047184 1019322694 /nfs/dbraw/zinc/32/26/94/1019322694.db2.gz PSZUIMYBODCSSY-UHFFFAOYSA-N -1 0 306.340 -0.387 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)c2ccccc2O1 ZINC001609044647 1019322871 /nfs/dbraw/zinc/32/28/71/1019322871.db2.gz SYQNVBAVWZHNBJ-OIBJUYFYSA-N -1 0 319.273 -0.537 20 0 DBADRM C[C@H](C(=O)NCCCn1cccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001609070515 1019329886 /nfs/dbraw/zinc/32/98/86/1019329886.db2.gz NMLNYBABBCMJEO-SECBINFHSA-N -1 0 316.329 -0.578 20 0 DBADRM C[C@@H](C(=O)NCCn1cnc(-c2nnn[n-]2)n1)c1ccco1 ZINC001609071031 1019330184 /nfs/dbraw/zinc/33/01/84/1019330184.db2.gz ULRKMGNZVKZNBC-MRVPVSSYSA-N -1 0 302.298 -0.029 20 0 DBADRM C[C@H](C(=O)N1CCCSCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068499 1019330400 /nfs/dbraw/zinc/33/04/00/1019330400.db2.gz KGBAARDPYLFYCN-MRVPVSSYSA-N -1 0 308.371 -0.015 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCSC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609070658 1019332583 /nfs/dbraw/zinc/33/25/83/1019332583.db2.gz OWTZNDQMPWWIPA-YUMQZZPRSA-N -1 0 308.371 -0.112 20 0 DBADRM C[C@@H](C(=O)N1CCOCC1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001609069443 1019333363 /nfs/dbraw/zinc/33/33/63/1019333363.db2.gz YGXMQDACNGZKAL-QMMMGPOBSA-N -1 0 306.330 -0.343 20 0 DBADRM C[C@@H](C(=O)OCc1ncccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001609072613 1019334179 /nfs/dbraw/zinc/33/41/79/1019334179.db2.gz XYOJTXHIFPCCMT-ZETCQYMHSA-N -1 0 301.270 -0.447 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCC[C@H](O)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001609070560 1019334241 /nfs/dbraw/zinc/33/42/41/1019334241.db2.gz NTMBBLMKUGSDAF-UTLUCORTSA-N -1 0 320.357 -0.314 20 0 DBADRM CC(C)OC(=O)CCCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001609100510 1019339652 /nfs/dbraw/zinc/33/96/52/1019339652.db2.gz PCIHVLYWOXTBPP-UHFFFAOYSA-N -1 0 322.329 -0.694 20 0 DBADRM CC(C)[C@@](C)(O)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609086404 1019340026 /nfs/dbraw/zinc/34/00/26/1019340026.db2.gz DZFYMKILWXVFDH-LBPRGKRZSA-N -1 0 323.361 -0.836 20 0 DBADRM CC(C)[C@H](CCO)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609087522 1019340131 /nfs/dbraw/zinc/34/01/31/1019340131.db2.gz ZXRPEMZVTBHDAZ-IUCAKERBSA-N -1 0 308.346 -0.458 20 0 DBADRM CC(C)(C)n1cc(CNCCn2cnc(-c3nnn[n-]3)n2)nn1 ZINC001609082535 1019340238 /nfs/dbraw/zinc/34/02/38/1019340238.db2.gz LRQDJIDNHFOAJF-UHFFFAOYSA-N -1 0 317.361 -0.406 20 0 DBADRM C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609110749 1019342315 /nfs/dbraw/zinc/34/23/15/1019342315.db2.gz UULLSLRYIHYDDJ-YFKPBYRVSA-N -1 0 300.300 -0.998 20 0 DBADRM C[C@@H](CO)CCCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609114383 1019343264 /nfs/dbraw/zinc/34/32/64/1019343264.db2.gz HBIICEBRYKACRW-RKDXNWHRSA-N -1 0 308.346 -0.456 20 0 DBADRM C[C@H](OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(=O)N(C)C ZINC001609130857 1019353984 /nfs/dbraw/zinc/35/39/84/1019353984.db2.gz XPDFILLWRUJLNC-BQBZGAKWSA-N -1 0 308.302 -0.961 20 0 DBADRM CC1(C)CC[C@@H]1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609145099 1019354842 /nfs/dbraw/zinc/35/48/42/1019354842.db2.gz ZWDFLLCPUSYLBQ-QMMMGPOBSA-N -1 0 305.346 -0.054 20 0 DBADRM CC1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)OCCO1 ZINC001609149366 1019355433 /nfs/dbraw/zinc/35/54/33/1019355433.db2.gz KSDVIHAUOWFMGO-UHFFFAOYSA-N -1 0 315.311 -0.499 20 0 DBADRM CC1(C(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[nH]n2)COC1 ZINC001609142633 1019357303 /nfs/dbraw/zinc/35/73/03/1019357303.db2.gz GVRIGSWEROIINC-UHFFFAOYSA-N -1 0 323.334 -0.292 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)C[C@H]2CCN(C)C2=O)c1[O-] ZINC001575027906 1019362533 /nfs/dbraw/zinc/36/25/33/1019362533.db2.gz ZSLMJCKFMHLEHF-SECBINFHSA-N -1 0 323.353 -0.862 20 0 DBADRM C[C@@H]1CN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C[C@@H](C)O1 ZINC001609170502 1019363743 /nfs/dbraw/zinc/36/37/43/1019363743.db2.gz BWBAUBDVTGDJQK-RKDXNWHRSA-N -1 0 321.345 -0.723 20 0 DBADRM CC[C@@H](O)CCCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609195733 1019367477 /nfs/dbraw/zinc/36/74/77/1019367477.db2.gz ZVLQCMQXWWLOQM-RKDXNWHRSA-N -1 0 308.346 -0.314 20 0 DBADRM CC[C@H](C)[C@@](C)(O)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609184060 1019368652 /nfs/dbraw/zinc/36/86/52/1019368652.db2.gz ORSSPFWDZWEDMC-RVBZMBCESA-N -1 0 322.373 -0.068 20 0 DBADRM CC[C@@H](C)NC(=O)Cn1c(=O)c(-c2nnn[n-]2)cn(CC)c1=O ZINC001609186925 1019369251 /nfs/dbraw/zinc/36/92/51/1019369251.db2.gz NWELHGAUBIJPOE-MRVPVSSYSA-N -1 0 321.341 -0.875 20 0 DBADRM O=C([O-])[C@@H](COCc1ccccc1)NC(=O)[C@H]1COC(=O)N1 ZINC001575043267 1019371593 /nfs/dbraw/zinc/37/15/93/1019371593.db2.gz XIHHOURFMJRORD-GHMZBOCLSA-N -1 0 308.290 -0.119 20 0 DBADRM O=C([O-])[C@@H]1CCCN1C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001575043194 1019371818 /nfs/dbraw/zinc/37/18/18/1019371818.db2.gz KUFJDQABANVOJQ-CBAPKCEASA-N -1 0 309.282 -0.924 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCOC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001609177610 1019372885 /nfs/dbraw/zinc/37/28/85/1019372885.db2.gz ZKNWRRCZJHIPSI-VGMNWLOBSA-N -1 0 306.330 -0.440 20 0 DBADRM CC[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCO1 ZINC001609201360 1019373202 /nfs/dbraw/zinc/37/32/02/1019373202.db2.gz FYPOMJQPAQMWKZ-VIFPVBQESA-N -1 0 306.330 -0.514 20 0 DBADRM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C[C@H]1O ZINC001609202858 1019373366 /nfs/dbraw/zinc/37/33/66/1019373366.db2.gz QWENPSKQQFVFPZ-HTQZYQBOSA-N -1 0 313.339 -0.149 20 0 DBADRM CCCNC(=O)CCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609215649 1019374745 /nfs/dbraw/zinc/37/47/45/1019374745.db2.gz WZIAHSDDVDSNAL-MRVPVSSYSA-N -1 0 321.345 -0.948 20 0 DBADRM CCCNC(=O)NC(=O)Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001609215859 1019377864 /nfs/dbraw/zinc/37/78/64/1019377864.db2.gz MKNWMEXVDCBNAY-UHFFFAOYSA-N -1 0 319.325 -0.427 20 0 DBADRM CC[C@H](C)C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001505615556 1019377977 /nfs/dbraw/zinc/37/79/77/1019377977.db2.gz SBXYZIMQZDOUNI-YUMQZZPRSA-N -1 0 309.326 -0.340 20 0 DBADRM CCOC[C@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001609241255 1019388186 /nfs/dbraw/zinc/38/81/86/1019388186.db2.gz KMHRLYVUEQRTGP-ZETCQYMHSA-N -1 0 309.330 -0.899 20 0 DBADRM CCOCCO[N-]C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001609241364 1019389076 /nfs/dbraw/zinc/38/90/76/1019389076.db2.gz RWBKHUMHKHXWHM-LLVKDONJSA-N -1 0 307.310 -0.016 20 0 DBADRM CNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1n[nH]c(=O)[n-]1 ZINC001609291676 1019410235 /nfs/dbraw/zinc/41/02/35/1019410235.db2.gz USQMIBUIVNWHBX-UHFFFAOYSA-N -1 0 301.270 -0.016 20 0 DBADRM COC(=O)[C@H](CF)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609292894 1019411860 /nfs/dbraw/zinc/41/18/60/1019411860.db2.gz BRLIKXLMFMOVQM-QMMMGPOBSA-N -1 0 309.257 -0.187 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CC(=O)NC(C)C)c1 ZINC001609301907 1019416767 /nfs/dbraw/zinc/41/67/67/1019416767.db2.gz IGLQHVAXVGWWNB-UHFFFAOYSA-N -1 0 320.309 -0.660 20 0 DBADRM CO[C@@H](C)[C@H](C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609308096 1019419347 /nfs/dbraw/zinc/41/93/47/1019419347.db2.gz CMLIDUBMKMAOPW-YUMQZZPRSA-N -1 0 309.334 -0.819 20 0 DBADRM CO[C@H](CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001609308976 1019420111 /nfs/dbraw/zinc/42/01/11/1019420111.db2.gz INRPKRXESIPTLK-VXNVDRBHSA-N -1 0 306.330 -0.440 20 0 DBADRM CC(C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O)=C1CCC1 ZINC001575127871 1019422045 /nfs/dbraw/zinc/42/20/45/1019422045.db2.gz SKVRRBAYHODQHJ-UHFFFAOYSA-N -1 0 309.326 -0.578 20 0 DBADRM COCCCNC(=O)Cn1cc(C)cc(-c2nnn[n-]2)c1=O ZINC001609323296 1019427011 /nfs/dbraw/zinc/42/70/11/1019427011.db2.gz QJXVKABXPICHTF-UHFFFAOYSA-N -1 0 306.326 -0.510 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-]c1n[nH]cc1-c1nn[nH]n1)C1CC1 ZINC001609310520 1019427504 /nfs/dbraw/zinc/42/75/04/1019427504.db2.gz JKOGXKHPALUFKU-MRVPVSSYSA-N -1 0 313.343 -0.244 20 0 DBADRM COC[C@H](C)NC(=S)NNc1oc(C)nc1-c1nnn[n-]1 ZINC001609317844 1019430255 /nfs/dbraw/zinc/43/02/55/1019430255.db2.gz QRJFYQSNBYBQGF-YFKPBYRVSA-N -1 0 312.359 -0.011 20 0 DBADRM COC[C@@H](C(N)=O)N(C)C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609330214 1019439488 /nfs/dbraw/zinc/43/94/88/1019439488.db2.gz CJLMPMRAWHIHSR-VIFPVBQESA-N -1 0 320.309 -0.855 20 0 DBADRM C[C@H]1COC(C)(C)CN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001609376317 1019443913 /nfs/dbraw/zinc/44/39/13/1019443913.db2.gz LYVWKVLPSLHTFG-QMMMGPOBSA-N -1 0 306.330 -0.516 20 0 DBADRM Cc1c([C@@H](C)NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cnn1C ZINC001609382406 1019448081 /nfs/dbraw/zinc/44/80/81/1019448081.db2.gz BAQHPBMZVYKGPL-SSDOTTSWSA-N -1 0 316.329 -0.622 20 0 DBADRM Cc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1-c1nn[nH]n1 ZINC001609418928 1019455303 /nfs/dbraw/zinc/45/53/03/1019455303.db2.gz CLCAQFBJCCFEOQ-UHFFFAOYSA-N -1 0 300.282 -0.071 20 0 DBADRM Cc1cccc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c1O ZINC001609430435 1019457844 /nfs/dbraw/zinc/45/78/44/1019457844.db2.gz VHLNVTLQYNITKG-UHFFFAOYSA-N -1 0 314.309 -0.098 20 0 DBADRM Cc1cc(NCCn2cnc(-c3nnn[n-]3)n2)n2ncnc2n1 ZINC001609410491 1019459345 /nfs/dbraw/zinc/45/93/45/1019459345.db2.gz ITBIHVZBSVGYLQ-UHFFFAOYSA-N -1 0 312.301 -0.684 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CC(C(=O)[O-])C1 ZINC001609416512 1019460106 /nfs/dbraw/zinc/46/01/06/1019460106.db2.gz NTSVLGRYLMWEBE-UHFFFAOYSA-N -1 0 323.334 -0.120 20 0 DBADRM Cc1noc(C)c1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609463177 1019466125 /nfs/dbraw/zinc/46/61/25/1019466125.db2.gz OPRIQZJKHMSTMA-UHFFFAOYSA-N -1 0 318.301 -0.115 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CCOCC2CCCC2)c1=O ZINC001609477235 1019474463 /nfs/dbraw/zinc/47/44/63/1019474463.db2.gz HWUYJSWNQSETHH-UHFFFAOYSA-N -1 0 320.353 -0.066 20 0 DBADRM Cn1nccc1[C@@H](NCc1nc(-c2nn[nH]n2)cs1)C(=O)[O-] ZINC001609482797 1019484811 /nfs/dbraw/zinc/48/48/11/1019484811.db2.gz SSWFFRWUCOWFSX-SECBINFHSA-N -1 0 320.338 -0.028 20 0 DBADRM O=C(CCc1ccco1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609525401 1019493027 /nfs/dbraw/zinc/49/30/27/1019493027.db2.gz LFUNCVYRKRJIHB-UHFFFAOYSA-N -1 0 302.298 -0.200 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)[C@H](C)C(=O)N(C)C(C)C)C(=O)[O-] ZINC001609622349 1019534201 /nfs/dbraw/zinc/53/42/01/1019534201.db2.gz QSMTUCNIXYUFGN-SCZZXKLOSA-N -1 0 322.383 -0.754 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@H](OC(F)F)C1 ZINC001609537478 1019505053 /nfs/dbraw/zinc/50/50/53/1019505053.db2.gz URDLBDUNUSUBNK-LURJTMIESA-N -1 0 314.256 -0.702 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)c1ccc(-c2nn[nH]n2)cc1 ZINC001609560479 1019508378 /nfs/dbraw/zinc/50/83/78/1019508378.db2.gz QKFHDAKZHFYZJE-UHFFFAOYSA-N -1 0 319.306 -0.292 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ncoc1C1CC1 ZINC001609552368 1019511977 /nfs/dbraw/zinc/51/19/77/1019511977.db2.gz HPGSSDDATNGZLX-UHFFFAOYSA-N -1 0 315.297 -0.246 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC001609557816 1019512119 /nfs/dbraw/zinc/51/21/19/1019512119.db2.gz WBGLIOCTFDTYAO-UHFFFAOYSA-N -1 0 304.245 -0.241 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCSC1 ZINC001609551944 1019512843 /nfs/dbraw/zinc/51/28/43/1019512843.db2.gz QQZLYJSYARDKPZ-ZETCQYMHSA-N -1 0 309.359 -0.737 20 0 DBADRM CC(C)C(=O)N1CC[C@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001505789156 1019516014 /nfs/dbraw/zinc/51/60/14/1019516014.db2.gz NKOIWWDNTFEDGE-VIFPVBQESA-N -1 0 323.353 -0.412 20 0 DBADRM O=C([O-])C(=O)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1 ZINC001609571367 1019517312 /nfs/dbraw/zinc/51/73/12/1019517312.db2.gz FNMSPCPJYIASBZ-UHFFFAOYSA-N -1 0 313.277 -0.042 20 0 DBADRM CC(=O)N(C)CC(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001609573288 1019521123 /nfs/dbraw/zinc/52/11/23/1019521123.db2.gz QGTUKWAZMAMXCV-SECBINFHSA-N -1 0 314.338 -0.280 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001609599170 1019530007 /nfs/dbraw/zinc/53/00/07/1019530007.db2.gz KCLVVMBJOAQLCY-PWSUYJOCSA-N -1 0 321.337 -0.239 20 0 DBADRM O=c1cc(-c2nnn[n-]2)ncn1C[C@H](O)COCc1ccco1 ZINC001609604774 1019530557 /nfs/dbraw/zinc/53/05/57/1019530557.db2.gz NCPWKMUNQUAJOU-VIFPVBQESA-N -1 0 318.293 -0.406 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001609621458 1019532406 /nfs/dbraw/zinc/53/24/06/1019532406.db2.gz IRRJRYLEMIPPOM-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)CC(=O)N1CCC(C)CC1)C(=O)[O-] ZINC001609622937 1019532898 /nfs/dbraw/zinc/53/28/98/1019532898.db2.gz WLWZIBREIRXCCD-MQJDWESPSA-N -1 0 318.395 -0.417 20 0 DBADRM CC(=O)N[C@H](C(=O)O[C@H](C)C(=O)NCC(=O)[O-])C1CCCC1 ZINC001609611775 1019533126 /nfs/dbraw/zinc/53/31/26/1019533126.db2.gz IOWVDZFHSTXJEF-PELKAZGASA-N -1 0 314.338 -0.186 20 0 DBADRM C[C@H](C(=O)N[C@@H](CF)C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001609634756 1019538194 /nfs/dbraw/zinc/53/81/94/1019538194.db2.gz LPAUDISPBINYTO-APPZFPTMSA-N -1 0 311.331 -0.492 20 0 DBADRM CC(=O)c1cn(Cc2noc(CCC(=O)[O-])n2)c(=O)n(C)c1=O ZINC001609630408 1019540164 /nfs/dbraw/zinc/54/01/64/1019540164.db2.gz HIWFFXGIAGZCSW-UHFFFAOYSA-N -1 0 322.277 -0.802 20 0 DBADRM C[C@@H](C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)N1CCN(C)CC1 ZINC001609633373 1019540432 /nfs/dbraw/zinc/54/04/32/1019540432.db2.gz ZOUSAZPPDWEGFR-WCQYABFASA-N -1 0 313.398 -0.694 20 0 DBADRM C[C@@H]([C@H](C)N1CCOCC1)N1C(=O)N[C@H](CCC(=O)[O-])C1=O ZINC001609646764 1019541922 /nfs/dbraw/zinc/54/19/22/1019541922.db2.gz CEBXNUOPMFJYRI-GARJFASQSA-N -1 0 313.354 -0.119 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001609655425 1019543768 /nfs/dbraw/zinc/54/37/68/1019543768.db2.gz XEJSVUOKLKPFSR-BXKDBHETSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(C)[C@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)C(N)=O ZINC001609669250 1019543842 /nfs/dbraw/zinc/54/38/42/1019543842.db2.gz AARFZYQSQZOPPH-SECBINFHSA-N -1 0 315.351 -0.042 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H]1COC[C@H]1O ZINC001609667026 1019544643 /nfs/dbraw/zinc/54/46/43/1019544643.db2.gz JEOLTMARKNNOQR-DJLDLDEBSA-N -1 0 318.326 -0.770 20 0 DBADRM CC(=O)NCCN(C(=O)CO[C@@H]1CCOC1)[C@H](C)C(=O)[O-] ZINC001609673522 1019545879 /nfs/dbraw/zinc/54/58/79/1019545879.db2.gz BKQGEACMHWLPNO-MWLCHTKSSA-N -1 0 302.327 -0.770 20 0 DBADRM CC(C)OCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1 ZINC001609710878 1019549782 /nfs/dbraw/zinc/54/97/82/1019549782.db2.gz FKFBNAFBYJKLPL-SNVBAGLBSA-N -1 0 305.356 -0.110 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCO[C@H]([C@@H](C)O)C1)C(=O)[O-] ZINC001609694066 1019549822 /nfs/dbraw/zinc/54/98/22/1019549822.db2.gz MXOMQQNVJMROOJ-WOPDTQHZSA-N -1 0 302.371 -0.317 20 0 DBADRM CC(C)(NC(=O)C(=O)Nc1cccc2c1OCC(=O)N2)C(=O)[O-] ZINC001609678826 1019546839 /nfs/dbraw/zinc/54/68/39/1019546839.db2.gz KGLAJLDOEQFBLR-UHFFFAOYSA-N -1 0 321.289 -0.065 20 0 DBADRM CC(C)(NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC001609681086 1019547676 /nfs/dbraw/zinc/54/76/76/1019547676.db2.gz KGPIYNOKEQVCOJ-UHFFFAOYSA-N -1 0 322.364 -0.373 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCOC[C@H]1CC(N)=O)C(=O)[O-] ZINC001609693820 1019547743 /nfs/dbraw/zinc/54/77/43/1019547743.db2.gz FJKWJLXLTUOLFN-MNOVXSKESA-N -1 0 315.370 -0.822 20 0 DBADRM CC(=O)c1cccc(S(=O)(=O)NCC(=O)OCC(=O)[O-])c1 ZINC001609691625 1019547956 /nfs/dbraw/zinc/54/79/56/1019547956.db2.gz XSDUWFGWQBWLKO-UHFFFAOYSA-N -1 0 315.303 -0.205 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCOC[C@@H]1CC(N)=O)C(=O)[O-] ZINC001609693822 1019548334 /nfs/dbraw/zinc/54/83/34/1019548334.db2.gz FJKWJLXLTUOLFN-WDEREUQCSA-N -1 0 315.370 -0.822 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCN2C(=O)N=NC2C1)C(=O)[O-] ZINC001609693838 1019548707 /nfs/dbraw/zinc/54/87/07/1019548707.db2.gz FTQUXJKFZNDCCH-VIFPVBQESA-N -1 0 311.342 -0.585 20 0 DBADRM CC(C)(NC(=O)NCCS(C)(=O)=O)c1cc(C(=O)[O-])on1 ZINC001609679830 1019548823 /nfs/dbraw/zinc/54/88/23/1019548823.db2.gz TUTYTYNYTKLEDY-UHFFFAOYSA-N -1 0 319.339 -0.048 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCN2CCOC[C@@H]2C1)C(=O)[O-] ZINC001609677547 1019548923 /nfs/dbraw/zinc/54/89/23/1019548923.db2.gz YHVHSYPPAWARKB-JTQLQIEISA-N -1 0 306.384 -0.557 20 0 DBADRM C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N(C)CCC(=O)[O-] ZINC001609696385 1019550470 /nfs/dbraw/zinc/55/04/70/1019550470.db2.gz WCCHLAFFNZMVLF-VIFPVBQESA-N -1 0 315.370 -0.319 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@@H]2C[C@H]1C[S@]2=O)C(=O)[O-] ZINC001609694004 1019551170 /nfs/dbraw/zinc/55/11/70/1019551170.db2.gz KRSUCHQRGZSHTG-NECJPBOMSA-N -1 0 302.396 -0.193 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001609700581 1019551306 /nfs/dbraw/zinc/55/13/06/1019551306.db2.gz FEMGQPBVLMOGCH-ONGXEEELSA-N -1 0 307.368 -0.506 20 0 DBADRM CC(C)N1C(=O)CN(CN2CC(n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001609705207 1019551858 /nfs/dbraw/zinc/55/18/58/1019551858.db2.gz DIDZWEYJGYZDOE-UHFFFAOYSA-N -1 0 322.325 -0.537 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCN(CCO)[C@@H](C)C1)C(=O)[O-] ZINC001609716842 1019553732 /nfs/dbraw/zinc/55/37/32/1019553732.db2.gz WYFFZECWYXTOJV-AAEUAGOBSA-N -1 0 301.387 -0.790 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC[C@H](N2CCCC2=O)C1)C(=O)[O-] ZINC001609716932 1019553785 /nfs/dbraw/zinc/55/37/85/1019553785.db2.gz ZIMZLGRCHGGGOJ-FZMZJTMJSA-N -1 0 311.382 -0.092 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCc2n[nH]c(=O)cc2C1)C(=O)[O-] ZINC001609716352 1019554552 /nfs/dbraw/zinc/55/45/52/1019554552.db2.gz FNNIWXKXRZMVGD-ZDUSSCGKSA-N -1 0 308.338 -0.234 20 0 DBADRM CC(C)n1nccc1NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001609725154 1019554764 /nfs/dbraw/zinc/55/47/64/1019554764.db2.gz MWPAZUIVIALYFI-NXEZZACHSA-N -1 0 324.337 -0.304 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001609731397 1019555760 /nfs/dbraw/zinc/55/57/60/1019555760.db2.gz AKXPXJVGTKGNDY-SNVBAGLBSA-N -1 0 320.411 -0.278 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@@]1(C)CCC(=O)NC1)C(=O)[O-] ZINC001609716306 1019555828 /nfs/dbraw/zinc/55/58/28/1019555828.db2.gz CVQCSQRPQNVSST-FZMZJTMJSA-N -1 0 314.338 -0.329 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001609749462 1019557932 /nfs/dbraw/zinc/55/79/32/1019557932.db2.gz IZZCNGSKIYCFLA-HJWVJXLVSA-N -1 0 306.384 -0.380 20 0 DBADRM C[C@H](CN(C)C(=O)C1(S(C)(=O)=O)CCOCC1)C(=O)[O-] ZINC001609741438 1019558277 /nfs/dbraw/zinc/55/82/77/1019558277.db2.gz ZAGHBKASUVUZLV-SECBINFHSA-N -1 0 307.368 -0.241 20 0 DBADRM C[C@H](CNC(=O)c1cccc(CC(=O)[O-])c1)S(N)(=O)=O ZINC001609745851 1019559018 /nfs/dbraw/zinc/55/90/18/1019559018.db2.gz GLYYJSNUZDCKNC-MRVPVSSYSA-N -1 0 300.336 -0.280 20 0 DBADRM C[C@@H](OC(=O)CCCS(N)(=O)=O)C(=O)C(C)(C)C(=O)[O-] ZINC001609793898 1019567958 /nfs/dbraw/zinc/56/79/58/1019567958.db2.gz TVVGHCMNURLINZ-SSDOTTSWSA-N -1 0 309.340 -0.333 20 0 DBADRM C[C@H](OC(=O)CN(C)S(C)(=O)=O)C(=O)C(C)(C)C(=O)[O-] ZINC001609793161 1019568323 /nfs/dbraw/zinc/56/83/23/1019568323.db2.gz FQMFLXBVVHYRHJ-ZETCQYMHSA-N -1 0 309.340 -0.511 20 0 DBADRM C[C@H](NC(=O)CN1CCOCC1=O)c1ncc(C(=O)[O-])s1 ZINC001609762832 1019561237 /nfs/dbraw/zinc/56/12/37/1019561237.db2.gz BAMSSLVIMPCXPD-ZETCQYMHSA-N -1 0 313.335 -0.123 20 0 DBADRM C[C@H](NCc1cn(CC(=O)[O-])nn1)C(=O)NCC(F)(F)F ZINC001609782701 1019561550 /nfs/dbraw/zinc/56/15/50/1019561550.db2.gz ZEOUTLRHZMBBLX-LURJTMIESA-N -1 0 309.248 -0.481 20 0 DBADRM C[C@@](O)(CNC(=O)CNC(=O)c1cc(Cl)ccn1)C(=O)[O-] ZINC001609784266 1019562046 /nfs/dbraw/zinc/56/20/46/1019562046.db2.gz HFSKUUFIYIACBK-GFCCVEGCSA-N -1 0 315.713 -0.583 20 0 DBADRM CC(C)(C)n1ncnc1C[S@@](=O)CC(=O)NCC(=O)[O-] ZINC001609777123 1019562426 /nfs/dbraw/zinc/56/24/26/1019562426.db2.gz CXAHDONOKADLQX-HXUWFJFHSA-N -1 0 302.356 -0.517 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C1CCOCC1 ZINC001609756778 1019562444 /nfs/dbraw/zinc/56/24/44/1019562444.db2.gz HLKOSZGPYRYFIY-GXSJLCMTSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@](NCc1nc(CS(C)(=O)=O)no1)(C(=O)[O-])C1CC1 ZINC001609779858 1019562521 /nfs/dbraw/zinc/56/25/21/1019562521.db2.gz NJTHFWCFPBYJAY-LLVKDONJSA-N -1 0 303.340 -0.043 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001609771797 1019562842 /nfs/dbraw/zinc/56/28/42/1019562842.db2.gz PHFGRAMUVPJYKT-PSASIEDQSA-N -1 0 323.305 -0.800 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-])c1ncn(C)n1 ZINC001609756336 1019563031 /nfs/dbraw/zinc/56/30/31/1019563031.db2.gz DCRYVYQAGFCHCG-IUCAKERBSA-N -1 0 309.326 -0.542 20 0 DBADRM C[C@H](OC(=O)[C@H](C)N1C(=O)CCC1=O)c1cn(CC(=O)[O-])nn1 ZINC001609788823 1019564408 /nfs/dbraw/zinc/56/44/08/1019564408.db2.gz FCUZGNSEHAFYJI-YUMQZZPRSA-N -1 0 324.293 -0.496 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001609787295 1019564959 /nfs/dbraw/zinc/56/49/59/1019564959.db2.gz OSDZCKHKDPIMGQ-MRVPVSSYSA-N -1 0 304.324 -0.856 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC001609790054 1019565292 /nfs/dbraw/zinc/56/52/92/1019565292.db2.gz WZSBKFHWQCPREA-CPCISQLKSA-N -1 0 310.306 -0.130 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001609789241 1019565915 /nfs/dbraw/zinc/56/59/15/1019565915.db2.gz FRUJEFHYEWGNRK-MNOVXSKESA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](O)c1cn(C2CN(C(=O)c3cc(C(=O)[O-])no3)C2)nn1 ZINC001609790963 1019566676 /nfs/dbraw/zinc/56/66/76/1019566676.db2.gz LUQPFTNUFDGLEF-LURJTMIESA-N -1 0 307.266 -0.285 20 0 DBADRM C[C@H](O)c1cn(CC(=O)O[C@@H](C)C(=O)C(C)(C)C(=O)[O-])nn1 ZINC001609798906 1019567208 /nfs/dbraw/zinc/56/72/08/1019567208.db2.gz LHJXODMCZGGCPF-YUMQZZPRSA-N -1 0 313.310 -0.057 20 0 DBADRM C[C@@H](OC(=O)c1cccc(NC(N)=O)c1)C(=O)NCC(=O)[O-] ZINC001609800574 1019567566 /nfs/dbraw/zinc/56/75/66/1019567566.db2.gz LGACYIDHRPSQMP-SSDOTTSWSA-N -1 0 309.278 -0.077 20 0 DBADRM C[C@@H](OC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)C(=O)C(=O)[O-] ZINC001609797444 1019567644 /nfs/dbraw/zinc/56/76/44/1019567644.db2.gz GEPTUXRIRBMOGK-MRVPVSSYSA-N -1 0 319.273 -0.230 20 0 DBADRM C[C@@H](OC(=O)CN1CCCCCC1=O)C(=O)NCC(=O)[O-] ZINC001609793281 1019567941 /nfs/dbraw/zinc/56/79/41/1019567941.db2.gz GWFSAVIXLILSNH-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001609803131 1019568311 /nfs/dbraw/zinc/56/83/11/1019568311.db2.gz YERSQSZEFDRJHJ-VHSXEESVSA-N -1 0 312.326 -0.323 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC001609811947 1019570102 /nfs/dbraw/zinc/57/01/02/1019570102.db2.gz WSQDNLSGESZKKW-ZUZCIYMTSA-N -1 0 320.349 -0.363 20 0 DBADRM C[C@H](Sc1nnnn1Cc1ccco1)C(=O)NCC(=O)[O-] ZINC001609806285 1019570146 /nfs/dbraw/zinc/57/01/46/1019570146.db2.gz KTQARULNVVEXBG-ZETCQYMHSA-N -1 0 311.323 -0.004 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC001609812604 1019570253 /nfs/dbraw/zinc/57/02/53/1019570253.db2.gz BCKMHRLZUJBBBM-GFCCVEGCSA-N -1 0 319.383 -0.616 20 0 DBADRM C[C@H](Sc1nnc(-c2ccco2)n1N)C(=O)NCC(=O)[O-] ZINC001609806463 1019570272 /nfs/dbraw/zinc/57/02/72/1019570272.db2.gz MOIUMCQSKHXWRV-LURJTMIESA-N -1 0 311.323 -0.067 20 0 DBADRM C[C@@H](OC(=O)c1ccncc1C(=O)[O-])C(=O)N1CCNC1=O ZINC001609803651 1019570295 /nfs/dbraw/zinc/57/02/95/1019570295.db2.gz ZBIQQSWCLDIQIU-SSDOTTSWSA-N -1 0 307.262 -0.123 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001609807085 1019570376 /nfs/dbraw/zinc/57/03/76/1019570376.db2.gz ULUQXDHXXORMEY-RNJXMRFFSA-N -1 0 300.340 -0.658 20 0 DBADRM CC1(C)[C@@H]2CN(C(=O)C(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)C[C@@H]21 ZINC001609813650 1019571563 /nfs/dbraw/zinc/57/15/63/1019571563.db2.gz DOIMLRGWJGFACU-DBIOUOCHSA-N -1 0 310.350 -0.605 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)O1 ZINC001609819560 1019573665 /nfs/dbraw/zinc/57/36/65/1019573665.db2.gz JUQBEKJEYHVJQN-DTWKUNHWSA-N -1 0 300.311 -0.813 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001609830998 1019573725 /nfs/dbraw/zinc/57/37/25/1019573725.db2.gz QXBXMMHNVRCNOC-LURJTMIESA-N -1 0 311.319 -0.268 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCCO1 ZINC001609822900 1019574375 /nfs/dbraw/zinc/57/43/75/1019574375.db2.gz KYOGQOKAOARSCF-YGRLFVJLSA-N -1 0 314.338 -0.626 20 0 DBADRM C[C@@]1(CCC(=O)OCC(=O)NCCC(=O)[O-])CCC(=O)N1 ZINC001609823681 1019574776 /nfs/dbraw/zinc/57/47/76/1019574776.db2.gz QNSLWRMXUWWUHF-ZDUSSCGKSA-N -1 0 300.311 -0.431 20 0 DBADRM C[C@@]1(CO)CCCN1C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001609822019 1019575115 /nfs/dbraw/zinc/57/51/15/1019575115.db2.gz JYCRFSJICKZUSM-HZMBPMFUSA-N -1 0 314.338 -0.938 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCc1ccc(C(N)=O)o1 ZINC001609837981 1019576940 /nfs/dbraw/zinc/57/69/40/1019576940.db2.gz XCZCBYFAPZQXIR-IONNQARKSA-N -1 0 323.305 -0.684 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1coc(S(N)(=O)=O)c1 ZINC001609835413 1019577326 /nfs/dbraw/zinc/57/73/26/1019577326.db2.gz TWEAZKMFMKVIGQ-XPUUQOCRSA-N -1 0 302.308 -0.138 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])CC(=O)N1 ZINC001609863873 1019579231 /nfs/dbraw/zinc/57/92/31/1019579231.db2.gz WHFRGTFMFXIFSM-ZETCQYMHSA-N -1 0 323.280 -0.191 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001609866997 1019581633 /nfs/dbraw/zinc/58/16/33/1019581633.db2.gz KOZMOZOLRWVAAX-GHMZBOCLSA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC001609873214 1019582528 /nfs/dbraw/zinc/58/25/28/1019582528.db2.gz HHSWLVKQWFEIDU-NEPJUHHUSA-N -1 0 320.411 -0.024 20 0 DBADRM C[C@@H](CNC(=O)c1cc[nH]c(=O)c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001505899854 1019583293 /nfs/dbraw/zinc/58/32/93/1019583293.db2.gz SXQWTVKSUYYEJR-QMMMGPOBSA-N -1 0 306.326 -0.139 20 0 DBADRM C[C@H]1OCC[C@]12CN(C(=O)Cn1cc(C(=O)[O-])nn1)CCO2 ZINC001609878963 1019585753 /nfs/dbraw/zinc/58/57/53/1019585753.db2.gz NYNLCFQMWNFXKZ-RNCFNFMXSA-N -1 0 310.310 -0.617 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)C(=O)NCCCCC(=O)[O-] ZINC001609876892 1019585770 /nfs/dbraw/zinc/58/57/70/1019585770.db2.gz QNPRYDHWTMBTFN-NSHDSACASA-N -1 0 315.370 -0.806 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)C1 ZINC001609883509 1019586027 /nfs/dbraw/zinc/58/60/27/1019586027.db2.gz OWUAAFGWXBIFNL-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CCO1 ZINC001575475845 1019588233 /nfs/dbraw/zinc/58/82/33/1019588233.db2.gz ZFNSBBIXGMULBZ-PRHODGIISA-N -1 0 319.321 -0.206 20 0 DBADRM CC[C@@H](C)C[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)[O-] ZINC001609904847 1019588620 /nfs/dbraw/zinc/58/86/20/1019588620.db2.gz MYGPYKYRIBEEPP-ZJUUUORDSA-N -1 0 311.338 -0.068 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1C[C@H](O)C[C@H]1COC)C(=O)[O-] ZINC001609901047 1019588648 /nfs/dbraw/zinc/58/86/48/1019588648.db2.gz SASYWVSFMVORID-LSCVPOLPSA-N -1 0 302.371 -0.317 20 0 DBADRM C[C@@](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)(C(N)=O)c1ccccc1 ZINC001609914275 1019589332 /nfs/dbraw/zinc/58/93/32/1019589332.db2.gz QNHNHPVATAFGKU-HZMBPMFUSA-N -1 0 305.290 -0.267 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1)C(=O)[O-] ZINC001609918671 1019589620 /nfs/dbraw/zinc/58/96/20/1019589620.db2.gz LRVCRHUUIOYVFP-VIFPVBQESA-N -1 0 309.322 -0.141 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001609888123 1019590535 /nfs/dbraw/zinc/59/05/35/1019590535.db2.gz YGPHPGSASAHKGT-GHMZBOCLSA-N -1 0 318.395 -0.572 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)OCC(=O)N1CCN(C(C)=O)CC1 ZINC001609893125 1019590667 /nfs/dbraw/zinc/59/06/67/1019590667.db2.gz RAQBVZXZECUIIL-JTQLQIEISA-N -1 0 300.311 -0.669 20 0 DBADRM CC[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@]2(CCOC2)O1 ZINC001609948128 1019591730 /nfs/dbraw/zinc/59/17/30/1019591730.db2.gz UPMXHVXHJLUXDK-HZMBPMFUSA-N -1 0 324.337 -0.227 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@H](C)[S@]1=O ZINC001609948125 1019591860 /nfs/dbraw/zinc/59/18/60/1019591860.db2.gz UMJPLVLJVYLGQS-URNOHEEXSA-N -1 0 314.367 -0.266 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CCO1 ZINC001609946815 1019592086 /nfs/dbraw/zinc/59/20/86/1019592086.db2.gz NDNQCZBRMAYPAB-MRVPVSSYSA-N -1 0 310.310 -0.306 20 0 DBADRM CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001609945872 1019592517 /nfs/dbraw/zinc/59/25/17/1019592517.db2.gz BVHGTTNXYLUKIK-KKOKHZNYSA-N -1 0 312.366 -0.025 20 0 DBADRM CC[C@H]1CN(CCC(=O)NCC(=O)[O-])C[C@@H](C)S1(=O)=O ZINC001609949572 1019592636 /nfs/dbraw/zinc/59/26/36/1019592636.db2.gz WYPBOQFRPLXRPU-ZJUUUORDSA-N -1 0 306.384 -0.525 20 0 DBADRM CC[C@H](CSC)NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001609923935 1019592933 /nfs/dbraw/zinc/59/29/33/1019592933.db2.gz BMDSTJZMWLJGQG-BBBLOLIVSA-N -1 0 318.395 -0.462 20 0 DBADRM CC[C@H](O)CCCNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001609936294 1019593297 /nfs/dbraw/zinc/59/32/97/1019593297.db2.gz KREIQVFCKRAATH-QMMMGPOBSA-N -1 0 312.326 -0.276 20 0 DBADRM CC[C@](COC)(NC(=O)[C@@H](C)CN1CCOCC1)C(=O)[O-] ZINC001609922566 1019593754 /nfs/dbraw/zinc/59/37/54/1019593754.db2.gz QQCWBSGCNIXYBJ-SMDDNHRTSA-N -1 0 302.371 -0.049 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)[O-] ZINC001609943313 1019593937 /nfs/dbraw/zinc/59/39/37/1019593937.db2.gz SHURQDSPGMCMPM-GFCCVEGCSA-N -1 0 302.233 -0.145 20 0 DBADRM CC[C@H](CSC)NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001609923922 1019593951 /nfs/dbraw/zinc/59/39/51/1019593951.db2.gz BMDSTJZMWLJGQG-AEJSXWLSSA-N -1 0 318.395 -0.462 20 0 DBADRM CCC[C@@H](C)N1C[C@H](C(=O)OCC(=O)NCC(=O)[O-])CC1=O ZINC001609955727 1019594665 /nfs/dbraw/zinc/59/46/65/1019594665.db2.gz UDTVOWFBYVGLGO-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001609953449 1019594812 /nfs/dbraw/zinc/59/48/12/1019594812.db2.gz ZHCSOGNMAZLRCS-DQRKKKBRSA-N -1 0 316.379 -0.194 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001609965340 1019595317 /nfs/dbraw/zinc/59/53/17/1019595317.db2.gz VNNZXHBIWXPTQT-IVZWLZJFSA-N -1 0 301.343 -0.350 20 0 DBADRM CCC[C@@](C)(NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001609954167 1019595472 /nfs/dbraw/zinc/59/54/72/1019595472.db2.gz ZFKVNNLYVLODCR-ZWNOBZJWSA-N -1 0 320.411 -0.135 20 0 DBADRM CCCCn1nnnc1CN1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001609973186 1019595785 /nfs/dbraw/zinc/59/57/85/1019595785.db2.gz KGGJSWHLNKMSDO-JTQLQIEISA-N -1 0 310.358 -0.362 20 0 DBADRM C[C@](O)(CNC(=O)c1ncc(C(N)=O)cc1Cl)C(=O)[O-] ZINC001609973576 1019596182 /nfs/dbraw/zinc/59/61/82/1019596182.db2.gz YKABFRYAILLBJW-NSHDSACASA-N -1 0 301.686 -0.601 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001609972107 1019596392 /nfs/dbraw/zinc/59/63/92/1019596392.db2.gz ATENYPIDLHRCES-VGMNWLOBSA-N -1 0 321.351 -0.716 20 0 DBADRM C[C@@](O)(CNC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)[O-] ZINC001609955271 1019596490 /nfs/dbraw/zinc/59/64/90/1019596490.db2.gz FEBKNNCZSFZZGP-CQSZACIVSA-N -1 0 305.290 -0.170 20 0 DBADRM CCN1C[C@H](CNC(=O)Nc2ccn(CC(=O)[O-])n2)CC1=O ZINC001610004114 1019597737 /nfs/dbraw/zinc/59/77/37/1019597737.db2.gz CHHMGWGONJAVCE-VIFPVBQESA-N -1 0 309.326 -0.042 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001610003716 1019598206 /nfs/dbraw/zinc/59/82/06/1019598206.db2.gz USEJJVBGFHQMDR-UHFFFAOYSA-N -1 0 317.323 -0.532 20 0 DBADRM CCN1CCN(CC(=O)OCc2ccoc2C(=O)[O-])C(=O)C1=O ZINC001610005255 1019598293 /nfs/dbraw/zinc/59/82/93/1019598293.db2.gz DMAQVOXSUHYWRQ-UHFFFAOYSA-N -1 0 324.289 -0.288 20 0 DBADRM CCN(C)C(=O)c1cccc(C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001609990671 1019598337 /nfs/dbraw/zinc/59/83/37/1019598337.db2.gz QAEQWGXGMBPFOH-UHFFFAOYSA-N -1 0 321.333 -0.291 20 0 DBADRM CCN(CC)C(=O)C[S@@](=O)CCc1cn(CC(=O)[O-])nn1 ZINC001609995269 1019598799 /nfs/dbraw/zinc/59/87/99/1019598799.db2.gz WNJYSLOWKHDJAS-NRFANRHFSA-N -1 0 316.383 -0.478 20 0 DBADRM CCN1C[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCC2)CC1=O ZINC001610005005 1019599796 /nfs/dbraw/zinc/59/97/96/1019599796.db2.gz VZFPRYLMNWSGJD-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CCOC(=O)C(=O)N1CCN(c2nccnc2C(=O)[O-])CC1 ZINC001610010839 1019603349 /nfs/dbraw/zinc/60/33/49/1019603349.db2.gz SACWZNXSVMTWJD-UHFFFAOYSA-N -1 0 308.294 -0.614 20 0 DBADRM CCN1CN(S(=O)(=O)c2csnc2C(=O)[O-])CC1=O ZINC001610009826 1019603473 /nfs/dbraw/zinc/60/34/73/1019603473.db2.gz RTAJPVKDUNOVSY-UHFFFAOYSA-N -1 0 305.337 -0.348 20 0 DBADRM CCOC(=O)NCCCC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001610019267 1019604966 /nfs/dbraw/zinc/60/49/66/1019604966.db2.gz OAGYPENZFAASJI-MWLCHTKSSA-N -1 0 302.327 -0.051 20 0 DBADRM CCO[C@H]1C[C@H]1C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001610028003 1019605967 /nfs/dbraw/zinc/60/59/67/1019605967.db2.gz BEYZLBGPDDIGFO-ZJUUUORDSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H](CNC(=O)C[C@H]1CCC(=O)NC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001505934161 1019606365 /nfs/dbraw/zinc/60/63/65/1019606365.db2.gz XZTOURKKRPCQLC-VHSXEESVSA-N -1 0 324.385 -0.637 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001610015845 1019606586 /nfs/dbraw/zinc/60/65/86/1019606586.db2.gz BRPGIFDXZRGJED-NSHDSACASA-N -1 0 323.367 -0.573 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC001610035550 1019608253 /nfs/dbraw/zinc/60/82/53/1019608253.db2.gz RFJUKLWOLIMSTO-ZJUUUORDSA-N -1 0 303.359 -0.999 20 0 DBADRM CCS(=O)(=O)CCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001610049844 1019608325 /nfs/dbraw/zinc/60/83/25/1019608325.db2.gz WDAFEZUHEQTCOL-ZJUUUORDSA-N -1 0 322.383 -0.712 20 0 DBADRM CCOCCNC(=O)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001610037619 1019608893 /nfs/dbraw/zinc/60/88/93/1019608893.db2.gz ZDAWHEQKIBZXQY-SECBINFHSA-N -1 0 304.368 -0.585 20 0 DBADRM C[C@@]1(C[C@@H]2CCCN2C(=O)NCCC(=O)[O-])NC(=O)NC1=O ZINC001610053609 1019609036 /nfs/dbraw/zinc/60/90/36/1019609036.db2.gz KOPOMGWTZACVFQ-SDBXPKJASA-N -1 0 312.326 -0.377 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC001610052603 1019609122 /nfs/dbraw/zinc/60/91/22/1019609122.db2.gz MRMYTTASKGFJND-RNSXUZJQSA-N -1 0 302.327 -0.330 20 0 DBADRM CCn1cncc1S(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001610084186 1019610673 /nfs/dbraw/zinc/61/06/73/1019610673.db2.gz PGPYLTLRLVZCTB-DTWKUNHWSA-N -1 0 303.340 -0.641 20 0 DBADRM CCn1nc(C(=O)N[C@H](CCC(=O)[O-])C(=O)OC)ccc1=O ZINC001610083696 1019611466 /nfs/dbraw/zinc/61/14/66/1019611466.db2.gz NALGTCDEGKRBQD-SECBINFHSA-N -1 0 311.294 -0.601 20 0 DBADRM CCc1cnc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC001610068878 1019611724 /nfs/dbraw/zinc/61/17/24/1019611724.db2.gz DBWYVJMYULJUMY-QMMMGPOBSA-N -1 0 313.335 -0.044 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001610084089 1019611872 /nfs/dbraw/zinc/61/18/72/1019611872.db2.gz HQRNAOGYMMJDIV-SCZZXKLOSA-N -1 0 303.340 -0.498 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)n1 ZINC001610086221 1019611947 /nfs/dbraw/zinc/61/19/47/1019611947.db2.gz XJNUIZINCPFMFW-NXEZZACHSA-N -1 0 323.353 -0.456 20 0 DBADRM CCc1nc(NC(=O)Cn2ncn(C)c2=O)sc1C(=O)[O-] ZINC001610073235 1019612043 /nfs/dbraw/zinc/61/20/43/1019612043.db2.gz ZIRNSRLUQALCEG-UHFFFAOYSA-N -1 0 311.323 -0.062 20 0 DBADRM CCn1cc(C(=O)C(=O)N[C@H](CCC(=O)[O-])C(=O)OC)cn1 ZINC001610085729 1019612063 /nfs/dbraw/zinc/61/20/63/1019612063.db2.gz NCDNSMRCBFAMJQ-SECBINFHSA-N -1 0 311.294 -0.392 20 0 DBADRM CCn1nccc1S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001610086519 1019613383 /nfs/dbraw/zinc/61/33/83/1019613383.db2.gz RUKBYVDJHKJURF-UHFFFAOYSA-N -1 0 303.340 -0.497 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC001610093816 1019614202 /nfs/dbraw/zinc/61/42/02/1019614202.db2.gz WAVCAKRGLUOYDG-UHFFFAOYSA-N -1 0 309.366 -0.526 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC001610093748 1019614265 /nfs/dbraw/zinc/61/42/65/1019614265.db2.gz RDXQBRSOIAPHBP-ZJUUUORDSA-N -1 0 313.354 -0.660 20 0 DBADRM CN(C)C(=O)NCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001610096135 1019614501 /nfs/dbraw/zinc/61/45/01/1019614501.db2.gz ZVUXXTGRRGRNLG-UHFFFAOYSA-N -1 0 316.339 -0.671 20 0 DBADRM CN(C)C(=O)[C@H]1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001610094025 1019615237 /nfs/dbraw/zinc/61/52/37/1019615237.db2.gz BYISHUBWFLFVRE-VIFPVBQESA-N -1 0 306.384 -0.163 20 0 DBADRM C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NCCC(=O)[O-])C[C@@H](C)O2 ZINC001610090795 1019615406 /nfs/dbraw/zinc/61/54/06/1019615406.db2.gz SXGMKJCEIKRYLV-ISTVAULSSA-N -1 0 314.338 -0.628 20 0 DBADRM CN(CC(=O)OCC(=O)NCCC(=O)[O-])[C@H]1CCSC1 ZINC001610109949 1019616342 /nfs/dbraw/zinc/61/63/42/1019616342.db2.gz JDDRNMCRPJTCSS-VIFPVBQESA-N -1 0 304.368 -0.442 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCC(CS(C)(=O)=O)CC1 ZINC001610109808 1019616773 /nfs/dbraw/zinc/61/67/73/1019616773.db2.gz OXQXEWQPNLDMJR-UHFFFAOYSA-N -1 0 320.411 -0.324 20 0 DBADRM CN(C)S(=O)(=O)Cc1noc(-c2cnc(C(=O)[O-])cn2)n1 ZINC001610102653 1019616839 /nfs/dbraw/zinc/61/68/39/1019616839.db2.gz NICSTXFZMQDJLR-UHFFFAOYSA-N -1 0 313.295 -0.384 20 0 DBADRM C[C@@H]1c2nncn2CCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001610109735 1019616998 /nfs/dbraw/zinc/61/69/98/1019616998.db2.gz UVYNSIWMIBUOKG-YMTOWFKASA-N -1 0 321.337 -0.496 20 0 DBADRM CN(C)c1cccc(CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001610107080 1019617384 /nfs/dbraw/zinc/61/73/84/1019617384.db2.gz ZUZKLQJYASPWQO-JGZJWPJOSA-N -1 0 320.349 -0.257 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)NCCCCC(=O)[O-] ZINC001610107704 1019618141 /nfs/dbraw/zinc/61/81/41/1019618141.db2.gz LTPVWIHLMLLVJW-UHFFFAOYSA-N -1 0 309.326 -0.148 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)c1ccc(C(=O)[O-])s1 ZINC001610103375 1019618214 /nfs/dbraw/zinc/61/82/14/1019618214.db2.gz WFNIXGGAXBNGON-UHFFFAOYSA-N -1 0 321.380 -0.428 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001610101949 1019618668 /nfs/dbraw/zinc/61/86/68/1019618668.db2.gz GFNGYBJQJMJPFS-NSHDSACASA-N -1 0 314.363 -0.138 20 0 DBADRM CN(CCCCCO)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001610115543 1019620031 /nfs/dbraw/zinc/62/00/31/1019620031.db2.gz AZDFAVKRSBGCAW-UHFFFAOYSA-N -1 0 312.326 -0.322 20 0 DBADRM CN(CCOCCO)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001610118614 1019620171 /nfs/dbraw/zinc/62/01/71/1019620171.db2.gz SNPZXQBTLYNATR-UHFFFAOYSA-N -1 0 310.306 -0.209 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCOc2ncccc2C1 ZINC001610114154 1019621108 /nfs/dbraw/zinc/62/11/08/1019621108.db2.gz DNXLNTNQCNBMMR-UHFFFAOYSA-N -1 0 315.351 -0.073 20 0 DBADRM CN(C[C@H]1CCC[C@@H]1O)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001610113940 1019621206 /nfs/dbraw/zinc/62/12/06/1019621206.db2.gz SDMFOCXZDJQXBV-KOLCDFICSA-N -1 0 317.367 -0.251 20 0 DBADRM CN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001610115127 1019621338 /nfs/dbraw/zinc/62/13/38/1019621338.db2.gz WJERGIOMXMQLKH-QMMMGPOBSA-N -1 0 310.310 -0.448 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@]2(CCCOC2)C1 ZINC001610114192 1019621766 /nfs/dbraw/zinc/62/17/66/1019621766.db2.gz HIDITGBOJNJRHE-GFCCVEGCSA-N -1 0 322.383 -0.481 20 0 DBADRM C[C@@H]1CCCC[C@@H]1C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575525342 1019622658 /nfs/dbraw/zinc/62/26/58/1019622658.db2.gz LRZGYVAKYRQYEA-BDAKNGLRSA-N -1 0 323.353 -0.045 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1c(C)cnn1C ZINC001610150557 1019634075 /nfs/dbraw/zinc/63/40/75/1019634075.db2.gz GPUWXRCKGSARRN-SSDOTTSWSA-N -1 0 305.312 -0.977 20 0 DBADRM CN(Cc1ccco1)C(=O)COC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001610125481 1019624010 /nfs/dbraw/zinc/62/40/10/1019624010.db2.gz XSUQQYWEJGKBGF-UHFFFAOYSA-N -1 0 322.277 -0.229 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])nc2)CCC1=O ZINC001610133851 1019624072 /nfs/dbraw/zinc/62/40/72/1019624072.db2.gz MGKHLJPHKICJQS-QMMMGPOBSA-N -1 0 313.335 -0.321 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Cn1cnc(C(N)=O)n1 ZINC001610121485 1019624091 /nfs/dbraw/zinc/62/40/91/1019624091.db2.gz JMFMQBXBKYDCDF-UHFFFAOYSA-N -1 0 317.305 -0.266 20 0 DBADRM COC(=O)[C@H](C)CNS(=O)(=O)c1scnc1C(=O)[O-] ZINC001610154255 1019636455 /nfs/dbraw/zinc/63/64/55/1019636455.db2.gz XXYNZOQOJDKXSQ-RXMQYKEDSA-N -1 0 308.337 -0.071 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)[O-])C(=O)NC ZINC001610133491 1019624535 /nfs/dbraw/zinc/62/45/35/1019624535.db2.gz STURIEQKNDQUNF-SECBINFHSA-N -1 0 307.306 -0.036 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])C1=O ZINC001610127496 1019624756 /nfs/dbraw/zinc/62/47/56/1019624756.db2.gz MPBYNNXZQLEIBK-XKSSXDPKSA-N -1 0 323.305 -0.881 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1cncs1 ZINC001505954893 1019626221 /nfs/dbraw/zinc/62/62/21/1019626221.db2.gz KJWOEWVJEHBLSF-ZETCQYMHSA-N -1 0 324.366 -0.010 20 0 DBADRM CN1CCO[C@H](C(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001610137893 1019626549 /nfs/dbraw/zinc/62/65/49/1019626549.db2.gz ZJWQMMLEPXXUQW-OLZOCXBDSA-N -1 0 307.350 -0.228 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)C(=O)NC(C)(C)C(=O)[O-])cc1 ZINC001610140428 1019629710 /nfs/dbraw/zinc/62/97/10/1019629710.db2.gz XXDXZXYVPXXFHJ-UHFFFAOYSA-N -1 0 321.333 -0.107 20 0 DBADRM CNC(=O)C1(C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)CCC1 ZINC001610141710 1019630074 /nfs/dbraw/zinc/63/00/74/1019630074.db2.gz CYDPKEWKMCTSJE-JTQLQIEISA-N -1 0 314.338 -0.329 20 0 DBADRM CNC(=O)c1ccc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)cn1 ZINC001610143392 1019630522 /nfs/dbraw/zinc/63/05/22/1019630522.db2.gz WKNLFKHVSIFZTM-AWEZNQCLSA-N -1 0 307.306 -0.195 20 0 DBADRM CNC(=O)NCC(=O)NC1(C(=O)OC)CCC(C(=O)[O-])CC1 ZINC001610140765 1019631128 /nfs/dbraw/zinc/63/11/28/1019631128.db2.gz JFXYRARRSCOQEI-UHFFFAOYSA-N -1 0 315.326 -0.782 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001610142051 1019631136 /nfs/dbraw/zinc/63/11/36/1019631136.db2.gz IDPCMORZTMLRIN-UHFFFAOYSA-N -1 0 324.337 -0.152 20 0 DBADRM CNC(=O)NCC(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC001610140776 1019631214 /nfs/dbraw/zinc/63/12/14/1019631214.db2.gz JPKALPDWYLZHFR-UHFFFAOYSA-N -1 0 301.328 -0.187 20 0 DBADRM CNC(=O)c1ccc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])cn1 ZINC001610142586 1019631374 /nfs/dbraw/zinc/63/13/74/1019631374.db2.gz GPKNYJSCCADMKH-NSHDSACASA-N -1 0 317.305 -0.479 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001610142753 1019631558 /nfs/dbraw/zinc/63/15/58/1019631558.db2.gz NFJRGUSIWAYPRJ-RKDXNWHRSA-N -1 0 307.372 -0.858 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001610149561 1019633708 /nfs/dbraw/zinc/63/37/08/1019633708.db2.gz JHQWEXIIFCCWOH-UHFFFAOYSA-N -1 0 319.339 -0.091 20 0 DBADRM COC(=O)C(C)(C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001610150205 1019633726 /nfs/dbraw/zinc/63/37/26/1019633726.db2.gz DVCJLLHUEWFCQQ-UHFFFAOYSA-N -1 0 305.312 -0.354 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(c2ncncc2C(=O)[O-])C1 ZINC001610146796 1019634011 /nfs/dbraw/zinc/63/40/11/1019634011.db2.gz UXQPSBXTEISUCU-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCCCS1(=O)=O ZINC001610151821 1019634103 /nfs/dbraw/zinc/63/41/03/1019634103.db2.gz FTOYEGZNIRSLDH-SFYZADRCSA-N -1 0 307.324 -0.914 20 0 DBADRM CNS(=O)(=O)N1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC001610147370 1019634113 /nfs/dbraw/zinc/63/41/13/1019634113.db2.gz QEZOVHOFDQYCTC-UHFFFAOYSA-N -1 0 303.340 -0.440 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC001610147077 1019634390 /nfs/dbraw/zinc/63/43/90/1019634390.db2.gz MLEJETCMPZWBNC-JTQLQIEISA-N -1 0 319.383 -0.904 20 0 DBADRM COC(=O)[C@@H](CF)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001610151048 1019634691 /nfs/dbraw/zinc/63/46/91/1019634691.db2.gz MUFRSWQEBLMMON-SECBINFHSA-N -1 0 320.298 -0.122 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC001610156445 1019636363 /nfs/dbraw/zinc/63/63/63/1019636363.db2.gz SQQQLPBYAAPSNE-SCZZXKLOSA-N -1 0 323.367 -0.717 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)COCc1ncc(C)o1 ZINC001610154582 1019636484 /nfs/dbraw/zinc/63/64/84/1019636484.db2.gz YGXBCNYARRWZIY-QMMMGPOBSA-N -1 0 300.267 -0.368 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)COCc1ncc(C)o1 ZINC001610154581 1019636874 /nfs/dbraw/zinc/63/68/74/1019636874.db2.gz YGXBCNYARRWZIY-MRVPVSSYSA-N -1 0 300.267 -0.368 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cnn(C)c1SC ZINC001610152575 1019636951 /nfs/dbraw/zinc/63/69/51/1019636951.db2.gz YPXVGNZUSBGGRD-ZETCQYMHSA-N -1 0 301.324 -0.112 20 0 DBADRM COC(=O)[C@@]1(NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])CCOC1 ZINC001610155863 1019637342 /nfs/dbraw/zinc/63/73/42/1019637342.db2.gz BXOQAFOEXGRGRG-IINYFYTJSA-N -1 0 316.354 -0.476 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cc[n+]([O-])cc1 ZINC001610174571 1019638189 /nfs/dbraw/zinc/63/81/89/1019638189.db2.gz OQACZVWFMNJDEX-QWRGUYRKSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cc2ccnn2C)[C@@H](C(=O)[O-])C1 ZINC001610168751 1019638309 /nfs/dbraw/zinc/63/83/09/1019638309.db2.gz IFCCQMDLCIEVQY-MWLCHTKSSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)NCCCCC(=O)[O-])[C@H]1C ZINC001610165013 1019638345 /nfs/dbraw/zinc/63/83/45/1019638345.db2.gz FKULVTHCNNRMMN-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)C1CCC(NC(=O)CCn2ccnn2)(C(=O)[O-])CC1 ZINC001610164738 1019639482 /nfs/dbraw/zinc/63/94/82/1019639482.db2.gz ISRUSIZGAHNHAT-UHFFFAOYSA-N -1 0 324.337 -0.029 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001610164259 1019639610 /nfs/dbraw/zinc/63/96/10/1019639610.db2.gz GHEBYFWFRVZQEK-VXGBXAGGSA-N -1 0 322.317 -0.069 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cnc(OC)nc1 ZINC001610170924 1019639619 /nfs/dbraw/zinc/63/96/19/1019639619.db2.gz HXXVVXYWLFTTCK-PSASIEDQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)Cc1ccnn1C ZINC001610166957 1019639781 /nfs/dbraw/zinc/63/97/81/1019639781.db2.gz CUDBRJRGTOYMRQ-ONGXEEELSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)C1CCC(NC(=O)CCNC(N)=O)(C(=O)[O-])CC1 ZINC001610169863 1019639919 /nfs/dbraw/zinc/63/99/19/1019639919.db2.gz ZUPIPOWEOCSICX-UHFFFAOYSA-N -1 0 315.326 -0.652 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-] ZINC001610180932 1019641112 /nfs/dbraw/zinc/64/11/12/1019641112.db2.gz NWHWGDUVISEESH-LLVKDONJSA-N -1 0 322.317 -0.522 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CC1OCCO1 ZINC001610177501 1019641248 /nfs/dbraw/zinc/64/12/48/1019641248.db2.gz VNUXDPSPXHXTBI-IUCAKERBSA-N -1 0 301.295 -0.386 20 0 DBADRM COC(=O)C[C@H](NC(=O)CCC(=O)c1cnn(C)c1)C(=O)[O-] ZINC001610178426 1019641421 /nfs/dbraw/zinc/64/14/21/1019641421.db2.gz CKBZBQUTKORAFZ-VIFPVBQESA-N -1 0 311.294 -0.485 20 0 DBADRM COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC001610179968 1019641486 /nfs/dbraw/zinc/64/14/86/1019641486.db2.gz UDOGNSANWGHXCE-VHSXEESVSA-N -1 0 322.383 -0.927 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)[C@H](C(=O)[O-])C1 ZINC001610175026 1019641656 /nfs/dbraw/zinc/64/16/56/1019641656.db2.gz ZZGUUKGOQBIJMO-UTLUCORTSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H]1CCn2c(C)ncc2C1)C(=O)[O-] ZINC001610179081 1019641683 /nfs/dbraw/zinc/64/16/83/1019641683.db2.gz GNAMZCAWXFCAIT-GXSJLCMTSA-N -1 0 309.322 -0.114 20 0 DBADRM COC(=O)C[C@@H](NC(=O)COCc1ncc(C)o1)C(=O)[O-] ZINC001610181804 1019641790 /nfs/dbraw/zinc/64/17/90/1019641790.db2.gz ZLVHAVNLJABZNU-MRVPVSSYSA-N -1 0 300.267 -0.368 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CN1CCCCCCC1=O)C(=O)[O-] ZINC001610181005 1019642153 /nfs/dbraw/zinc/64/21/53/1019642153.db2.gz QKMIUQAAZSZOJL-SNVBAGLBSA-N -1 0 314.338 -0.088 20 0 DBADRM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001610176853 1019642910 /nfs/dbraw/zinc/64/29/10/1019642910.db2.gz FPRDCHPFIBCBML-QMMMGPOBSA-N -1 0 319.291 -0.460 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1ccc(C(N)=O)s1)C(=O)[O-] ZINC001610183344 1019643731 /nfs/dbraw/zinc/64/37/31/1019643731.db2.gz WERIUSIECUHUCD-ZCFIWIBFSA-N -1 0 314.319 -0.017 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)C(=O)N1CCC(C)CC1)C(=O)[O-] ZINC001610183091 1019643893 /nfs/dbraw/zinc/64/38/93/1019643893.db2.gz OISGHUGFFUCZDH-SNVBAGLBSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)CCNC(=O)c1ccc(C(=O)NCCC(=O)[O-])cn1 ZINC001610182600 1019644621 /nfs/dbraw/zinc/64/46/21/1019644621.db2.gz GZLNIMHYASEOHE-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccn2c(=O)[nH]nc12 ZINC001610185368 1019644743 /nfs/dbraw/zinc/64/47/43/1019644743.db2.gz WFGFVZMKOROEHQ-UHFFFAOYSA-N -1 0 308.250 -0.865 20 0 DBADRM C[C@H](CNC(=O)CCCc1cn[nH]n1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001575578667 1019646000 /nfs/dbraw/zinc/64/60/00/1019646000.db2.gz PVCNNIQXLDSLDA-SECBINFHSA-N -1 0 322.373 -0.412 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1nc(C(=O)[O-])ccc1=O)C(C)C ZINC001610192159 1019646917 /nfs/dbraw/zinc/64/69/17/1019646917.db2.gz DEHCNUIXDYGQBB-NSHDSACASA-N -1 0 311.294 -0.745 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)C[C@H]1CCCO1 ZINC001610193957 1019647099 /nfs/dbraw/zinc/64/70/99/1019647099.db2.gz QBDFUNKJMSVKPT-RKDXNWHRSA-N -1 0 309.340 -0.509 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C(=O)N1CCC(C)CC1 ZINC001610190239 1019647124 /nfs/dbraw/zinc/64/71/24/1019647124.db2.gz GQEFWKDOKIVURZ-SNVBAGLBSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)Cn1ncc2c1ncn(CC(=O)CCC(=O)[O-])c2=O ZINC001610188046 1019647280 /nfs/dbraw/zinc/64/72/80/1019647280.db2.gz ZELIYJCBQJVJQK-UHFFFAOYSA-N -1 0 322.277 -0.800 20 0 DBADRM COC(=O)CSCCNS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001610187324 1019647667 /nfs/dbraw/zinc/64/76/67/1019647667.db2.gz SYLQBOKKUMLNQK-UHFFFAOYSA-N -1 0 313.397 -0.077 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001610192497 1019647919 /nfs/dbraw/zinc/64/79/19/1019647919.db2.gz MKYYQKVMCLCBRQ-BDAKNGLRSA-N -1 0 310.310 -0.176 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccccc1N ZINC001610192770 1019647975 /nfs/dbraw/zinc/64/79/75/1019647975.db2.gz QIFBBPOEVFDHGC-SECBINFHSA-N -1 0 316.335 -0.047 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)C[C@@H]1CCCO1 ZINC001610193953 1019648055 /nfs/dbraw/zinc/64/80/55/1019648055.db2.gz QBDFUNKJMSVKPT-DTWKUNHWSA-N -1 0 309.340 -0.509 20 0 DBADRM COC(=O)[C@@H](C)N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001610190778 1019648264 /nfs/dbraw/zinc/64/82/64/1019648264.db2.gz LAVFRMLPXDPVBB-MRVPVSSYSA-N -1 0 308.356 -0.479 20 0 DBADRM COC(=O)N1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CC1 ZINC001610190242 1019648250 /nfs/dbraw/zinc/64/82/50/1019648250.db2.gz LZZJSUCMDHCVKU-UHFFFAOYSA-N -1 0 320.367 -0.045 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H](C)N1CCSCC1 ZINC001610190926 1019648290 /nfs/dbraw/zinc/64/82/90/1019648290.db2.gz NEDCVDAEOBNWQN-NXEZZACHSA-N -1 0 318.395 -0.054 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cccnc1 ZINC001610192074 1019648308 /nfs/dbraw/zinc/64/83/08/1019648308.db2.gz AOSKATYOXANAJI-SECBINFHSA-N -1 0 302.308 -0.234 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)[C@]12CCC(=O)N1CCS2 ZINC001610191792 1019648550 /nfs/dbraw/zinc/64/85/50/1019648550.db2.gz XEHLTZAYKZEWRU-JMCQJSRRSA-N -1 0 317.319 -0.389 20 0 DBADRM COC(CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@@H](C)C1)OC ZINC001610223823 1019649956 /nfs/dbraw/zinc/64/99/56/1019649956.db2.gz DDUFFNULLHYWTC-SNVBAGLBSA-N -1 0 324.399 -0.031 20 0 DBADRM COC(=O)c1ccc(NC(=O)CN2C[C@@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001610212591 1019650477 /nfs/dbraw/zinc/65/04/77/1019650477.db2.gz YNTKCKGDQMPUPC-RYUDHWBXSA-N -1 0 322.317 -0.069 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc(C(N)=O)s1 ZINC001610194302 1019651113 /nfs/dbraw/zinc/65/11/13/1019651113.db2.gz WCXWPMPWMJMIHE-ZCFIWIBFSA-N -1 0 314.319 -0.017 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001610223135 1019651169 /nfs/dbraw/zinc/65/11/69/1019651169.db2.gz JOLWMPCCFVWWCW-VIFPVBQESA-N -1 0 322.383 -0.594 20 0 DBADRM COC(=O)c1cc(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])c[nH]1 ZINC001610197890 1019651540 /nfs/dbraw/zinc/65/15/40/1019651540.db2.gz SHVBQYKUTJQGDN-LLVKDONJSA-N -1 0 309.322 -0.034 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN2CC[C@@H](n3cncn3)C2)n1 ZINC001610195390 1019651628 /nfs/dbraw/zinc/65/16/28/1019651628.db2.gz MTMGBYZXUNKLCB-SECBINFHSA-N -1 0 320.309 -0.136 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)NCCO)ccc1C(=O)[O-] ZINC001610201514 1019651657 /nfs/dbraw/zinc/65/16/57/1019651657.db2.gz JLIQPBDREVBHTJ-UHFFFAOYSA-N -1 0 310.262 -0.782 20 0 DBADRM CO[C@H](C)CS(=O)(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610225067 1019652786 /nfs/dbraw/zinc/65/27/86/1019652786.db2.gz JICIGOKASDZZJU-RKDXNWHRSA-N -1 0 318.355 -0.412 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)CN1CCCC1=O)OC ZINC001610229470 1019652873 /nfs/dbraw/zinc/65/28/73/1019652873.db2.gz JZEISHKTKXTDOA-UHFFFAOYSA-N -1 0 302.327 -0.469 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@H]1CN(C)CCO1)OC ZINC001610232729 1019652886 /nfs/dbraw/zinc/65/28/86/1019652886.db2.gz WBUZDXHTHVKBPU-SNVBAGLBSA-N -1 0 304.343 -0.761 20 0 DBADRM COC1(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CCOCC1 ZINC001610230291 1019654161 /nfs/dbraw/zinc/65/41/61/1019654161.db2.gz XVCRNOUFDGDIJH-MNOVXSKESA-N -1 0 316.354 -0.341 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)Cc1ccc(O)cc1)C(=O)[O-] ZINC001610246146 1019655616 /nfs/dbraw/zinc/65/56/16/1019655616.db2.gz LIGAHPFFMFMWCH-NSHDSACASA-N -1 0 310.306 -0.733 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001610246592 1019655655 /nfs/dbraw/zinc/65/56/55/1019655655.db2.gz DGNBTSNWWGAXHK-IVZWLZJFSA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@@H](NC(=O)C1CCN(Cc2nccn2C)CC1)C(=O)[O-] ZINC001610246405 1019656195 /nfs/dbraw/zinc/65/61/95/1019656195.db2.gz LPYZULJEDJLICT-GFCCVEGCSA-N -1 0 324.381 -0.152 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC001610245704 1019656811 /nfs/dbraw/zinc/65/68/11/1019656811.db2.gz DQLFLVHZKWXFLC-LYFYHCNISA-N -1 0 312.244 -0.341 20 0 DBADRM COC[C@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)[O-] ZINC001610246748 1019657000 /nfs/dbraw/zinc/65/70/00/1019657000.db2.gz VUTLWJDEEULJNR-LBPRGKRZSA-N -1 0 319.317 -0.308 20 0 DBADRM COC[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC001610245824 1019657090 /nfs/dbraw/zinc/65/70/90/1019657090.db2.gz IAVBRYWPWGHPEF-SNVBAGLBSA-N -1 0 316.335 -0.908 20 0 DBADRM COC[C@](C)(O)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610243306 1019657271 /nfs/dbraw/zinc/65/72/71/1019657271.db2.gz DNRIXLDVPHOXBU-ZANVPECISA-N -1 0 312.326 -0.463 20 0 DBADRM COC[C@@H](NC(=O)c1c(C)oc2ncn(C)c(=O)c21)C(=O)[O-] ZINC001610251822 1019658569 /nfs/dbraw/zinc/65/85/69/1019658569.db2.gz VRLJVEWPVUZULE-SSDOTTSWSA-N -1 0 309.278 -0.336 20 0 DBADRM COC[C@H](NC(=O)c1ccc2c(c1)NC(=O)CNC2=O)C(=O)[O-] ZINC001610249721 1019658894 /nfs/dbraw/zinc/65/88/94/1019658894.db2.gz TZFJASQNMBSLMB-JTQLQIEISA-N -1 0 321.289 -0.802 20 0 DBADRM COC[C@@H](NC(=O)Cn1c(C)nc2ccccc2c1=O)C(=O)[O-] ZINC001610246969 1019659060 /nfs/dbraw/zinc/65/90/60/1019659060.db2.gz ZAPWMJDNZDNVAQ-GFCCVEGCSA-N -1 0 319.317 -0.079 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC001610247017 1019659072 /nfs/dbraw/zinc/65/90/72/1019659072.db2.gz ZJPUYFNFSOMTTA-JTQLQIEISA-N -1 0 316.260 -0.090 20 0 DBADRM COC[C@@H](OC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)C(=O)[O-] ZINC001610247219 1019659086 /nfs/dbraw/zinc/65/90/86/1019659086.db2.gz BWUJBBXKRTVPLX-NXEZZACHSA-N -1 0 313.310 -0.455 20 0 DBADRM COC[C@@H](CCO)NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001610246826 1019659175 /nfs/dbraw/zinc/65/91/75/1019659175.db2.gz GXWYLVSAXAWRDB-MRVPVSSYSA-N -1 0 307.324 -0.038 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)C(=O)[O-] ZINC001610251531 1019659859 /nfs/dbraw/zinc/65/98/59/1019659859.db2.gz SBJTWLZQXBVWRA-LLVKDONJSA-N -1 0 320.305 -0.600 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(F)cc1C(=O)[O-])C(N)=O ZINC001610250343 1019660214 /nfs/dbraw/zinc/66/02/14/1019660214.db2.gz IRPLEHOEQLNICN-QMMMGPOBSA-N -1 0 320.298 -0.698 20 0 DBADRM COCCCS(=O)(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001610256903 1019661156 /nfs/dbraw/zinc/66/11/56/1019661156.db2.gz JXSXFKBREYNOQO-UWVGGRQHSA-N -1 0 323.367 -0.309 20 0 DBADRM COCC[C@@H](NC(=O)CCc1nc(N(C)C)no1)C(=O)[O-] ZINC001610255952 1019661171 /nfs/dbraw/zinc/66/11/71/1019661171.db2.gz QWWFVCNWWZVYDI-MRVPVSSYSA-N -1 0 300.315 -0.326 20 0 DBADRM COCCCOCC(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001610257389 1019661258 /nfs/dbraw/zinc/66/12/58/1019661258.db2.gz RHECHRGYFBTYKV-GHMZBOCLSA-N -1 0 317.338 -0.096 20 0 DBADRM COCC[C@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)C(N)=O ZINC001610254274 1019661328 /nfs/dbraw/zinc/66/13/28/1019661328.db2.gz VPQJJSXTHKSOTF-QMMMGPOBSA-N -1 0 308.356 -0.949 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(N)=O ZINC001610253945 1019661452 /nfs/dbraw/zinc/66/14/52/1019661452.db2.gz OZXOXTWOAXYUMD-SNVBAGLBSA-N -1 0 316.335 -0.447 20 0 DBADRM COCCOCCN1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001610260916 1019661642 /nfs/dbraw/zinc/66/16/42/1019661642.db2.gz FZEKOULETQVTGI-VHSXEESVSA-N -1 0 300.311 -0.223 20 0 DBADRM COCCCn1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)n1 ZINC001610258743 1019662237 /nfs/dbraw/zinc/66/22/37/1019662237.db2.gz SWXTUWHAGOIOGP-UHFFFAOYSA-N -1 0 324.337 -0.161 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC001610257018 1019662448 /nfs/dbraw/zinc/66/24/48/1019662448.db2.gz PREFTOUGVAXLNN-UWVGGRQHSA-N -1 0 322.383 -0.688 20 0 DBADRM COCc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)ncn1 ZINC001610268012 1019663985 /nfs/dbraw/zinc/66/39/85/1019663985.db2.gz STDGJOKFFNBGPS-WPRPVWTQSA-N -1 0 322.321 -0.117 20 0 DBADRM COCCOc1ccccc1C(=O)NCC(=O)NCC(=O)[O-] ZINC001610264867 1019663998 /nfs/dbraw/zinc/66/39/98/1019663998.db2.gz UJAQOAWCRDPXIJ-UHFFFAOYSA-N -1 0 310.306 -0.358 20 0 DBADRM COCCn1nnc2c1CCN(c1nccnc1C(=O)[O-])C2 ZINC001610268580 1019664679 /nfs/dbraw/zinc/66/46/79/1019664679.db2.gz NZGDJOMWELATIR-UHFFFAOYSA-N -1 0 304.310 -0.025 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cn1 ZINC001610267707 1019664956 /nfs/dbraw/zinc/66/49/56/1019664956.db2.gz QXVULENOYALUCK-MWLCHTKSSA-N -1 0 324.337 -0.210 20 0 DBADRM COCCN1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1=O ZINC001610260971 1019665031 /nfs/dbraw/zinc/66/50/31/1019665031.db2.gz ROZMBIFPFDUTBY-UHFFFAOYSA-N -1 0 322.383 -0.782 20 0 DBADRM COCCNC(=O)CNC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001610261473 1019665464 /nfs/dbraw/zinc/66/54/64/1019665464.db2.gz GIZHWVNNDCXYRY-UHFFFAOYSA-N -1 0 316.339 -0.346 20 0 DBADRM COCc1cc(NC(=O)C(=O)NCCCO)cc(C(=O)[O-])c1 ZINC001610266746 1019665623 /nfs/dbraw/zinc/66/56/23/1019665623.db2.gz DSLCGPKEIXVOES-UHFFFAOYSA-N -1 0 310.306 -0.032 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cn1 ZINC001610267710 1019665683 /nfs/dbraw/zinc/66/56/83/1019665683.db2.gz QXVULENOYALUCK-ONGXEEELSA-N -1 0 324.337 -0.210 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001610270509 1019666780 /nfs/dbraw/zinc/66/67/80/1019666780.db2.gz DUJRDTXCTTVQNF-UHFFFAOYSA-N -1 0 321.333 -0.153 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])nn1C ZINC001610300610 1019667331 /nfs/dbraw/zinc/66/73/31/1019667331.db2.gz WNTDYETZXPGIOM-MRVPVSSYSA-N -1 0 310.310 -0.167 20 0 DBADRM COc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])nn1C ZINC001610300597 1019667535 /nfs/dbraw/zinc/66/75/35/1019667535.db2.gz WDZLFKTVQOJNES-SFYZADRCSA-N -1 0 310.310 -0.263 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CCNC(=O)C2)ccc1C(=O)[O-] ZINC001610298836 1019667850 /nfs/dbraw/zinc/66/78/50/1019667850.db2.gz KASZTPDJGWZXAO-UHFFFAOYSA-N -1 0 321.289 -0.710 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC(=O)N(C)C2)ccc1C(=O)[O-] ZINC001610300619 1019667892 /nfs/dbraw/zinc/66/78/92/1019667892.db2.gz WVMPPJJPYFFUOU-UHFFFAOYSA-N -1 0 321.289 -0.410 20 0 DBADRM CCN(C(=O)COC(=O)[C@H](C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001610270572 1019667992 /nfs/dbraw/zinc/66/79/92/1019667992.db2.gz GQSMNPQEZVASTD-BDAKNGLRSA-N -1 0 321.351 -0.714 20 0 DBADRM CCN(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)[C@H](C)CS(=O)(=O)CC ZINC001610271077 1019668059 /nfs/dbraw/zinc/66/80/59/1019668059.db2.gz VXIVTYYSMSMOQD-SCZZXKLOSA-N -1 0 320.367 -0.112 20 0 DBADRM COc1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])on1 ZINC001610279081 1019668598 /nfs/dbraw/zinc/66/85/98/1019668598.db2.gz WNHBTIAADODNAD-UHFFFAOYSA-N -1 0 313.310 -0.458 20 0 DBADRM COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](O)C(=O)[O-])c1 ZINC001610343253 1019669719 /nfs/dbraw/zinc/66/97/19/1019669719.db2.gz KZXSZQOKBPCQTO-VIFPVBQESA-N -1 0 312.278 -0.796 20 0 DBADRM COc1cccc(OCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC001610358453 1019669805 /nfs/dbraw/zinc/66/98/05/1019669805.db2.gz DGHDXMJEKWQFRA-GFCCVEGCSA-N -1 0 322.317 -0.124 20 0 DBADRM COc1ccc(C(=O)NCCCC(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC001610315533 1019669981 /nfs/dbraw/zinc/66/99/81/1019669981.db2.gz OPLUUFAWTLVZOP-LBPRGKRZSA-N -1 0 324.333 -0.233 20 0 DBADRM COc1cc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)ccc1C(=O)[O-] ZINC001610308403 1019670142 /nfs/dbraw/zinc/67/01/42/1019670142.db2.gz YYHOKEHLZNKWMT-AOOOYVTPSA-N -1 0 317.319 -0.881 20 0 DBADRM COc1ccccc1NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001610365897 1019670454 /nfs/dbraw/zinc/67/04/54/1019670454.db2.gz ZLEQLNKRBFXFSO-NXEZZACHSA-N -1 0 322.317 -0.072 20 0 DBADRM COc1ccc(NCC(=O)N2CCNC(=O)C2)c(C(=O)[O-])c1 ZINC001610342442 1019671019 /nfs/dbraw/zinc/67/10/19/1019671019.db2.gz HYSJIZYXQUEPCR-UHFFFAOYSA-N -1 0 307.306 -0.236 20 0 DBADRM COc1ccc(CC(=O)OCC(=O)NCC(=O)[O-])cc1OC ZINC001610330640 1019671763 /nfs/dbraw/zinc/67/17/63/1019671763.db2.gz SHQIIHRXQFLUPH-UHFFFAOYSA-N -1 0 311.290 -0.010 20 0 DBADRM COc1ccccc1CCNC(=O)CN1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC001610365098 1019671950 /nfs/dbraw/zinc/67/19/50/1019671950.db2.gz FYJRNCQJHPKPCK-STQMWFEESA-N -1 0 322.361 -0.126 20 0 DBADRM COc1ccc(COCC(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001610336706 1019672013 /nfs/dbraw/zinc/67/20/13/1019672013.db2.gz PWCBXLICTFJJMJ-UHFFFAOYSA-N -1 0 310.306 -0.471 20 0 DBADRM COc1ccncc1NC(=O)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001610370138 1019673107 /nfs/dbraw/zinc/67/31/07/1019673107.db2.gz SEMBQRRGQBTNJU-MWLCHTKSSA-N -1 0 323.305 -0.535 20 0 DBADRM CS(=O)(=O)N1CC[C@H](COC(=O)c2cc(C(=O)[O-])no2)C1 ZINC001610375654 1019673317 /nfs/dbraw/zinc/67/33/17/1019673317.db2.gz PMGQZPXJAVGLFO-ZETCQYMHSA-N -1 0 318.307 -0.189 20 0 DBADRM CS(=O)(=O)C1(C(=O)NCCn2cc(C(=O)[O-])nn2)CCC1 ZINC001610373457 1019673808 /nfs/dbraw/zinc/67/38/08/1019673808.db2.gz VSZYLTPNLTUGAW-UHFFFAOYSA-N -1 0 316.339 -0.940 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)CCOCC1 ZINC001610372179 1019673929 /nfs/dbraw/zinc/67/39/29/1019673929.db2.gz GISIJSOUTYMIFD-NSHDSACASA-N -1 0 323.342 -0.395 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001610375290 1019674022 /nfs/dbraw/zinc/67/40/22/1019674022.db2.gz KCYZPMGJPOQQGO-VIFPVBQESA-N -1 0 306.365 -0.071 20 0 DBADRM CS(=O)(=O)NCCNC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001610375039 1019674925 /nfs/dbraw/zinc/67/49/25/1019674925.db2.gz IIIZOFORUUUFCL-UHFFFAOYSA-N -1 0 316.339 -0.621 20 0 DBADRM COc1nccc(CN(CCN2CCOCC2)CC(=O)[O-])n1 ZINC001610371233 1019674989 /nfs/dbraw/zinc/67/49/89/1019674989.db2.gz TUIVYUOIABNOAN-UHFFFAOYSA-N -1 0 310.354 -0.296 20 0 DBADRM CS(=O)(=O)C1(CN2C(=O)N[C@H](CCC(=O)[O-])C2=O)CC1 ZINC001610372365 1019675021 /nfs/dbraw/zinc/67/50/21/1019675021.db2.gz LVORYYSTQURHTR-SSDOTTSWSA-N -1 0 304.324 -0.651 20 0 DBADRM CSc1nn(C)c(NC(=O)COCC(=O)[O-])c1C(N)=O ZINC001610388863 1019676496 /nfs/dbraw/zinc/67/64/96/1019676496.db2.gz SFNIFHLLMBPFAR-UHFFFAOYSA-N -1 0 302.312 -0.719 20 0 DBADRM Cc1c(NC(=O)C(=O)N(C)C[C@H](O)C2CC2)cnn1CC(=O)[O-] ZINC001610417386 1019678953 /nfs/dbraw/zinc/67/89/53/1019678953.db2.gz KNJPFUNPXVXSGX-NSHDSACASA-N -1 0 324.337 -0.556 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@H](O)C(C)(C)C2)cnn1CC(=O)[O-] ZINC001610417483 1019679603 /nfs/dbraw/zinc/67/96/03/1019679603.db2.gz LYNDKPTWPYUOIE-JTQLQIEISA-N -1 0 324.337 -0.556 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@H](O)C2(C)C)cnn1CC(=O)[O-] ZINC001610421375 1019680522 /nfs/dbraw/zinc/68/05/22/1019680522.db2.gz QBGLKADGGVEMQM-JTQLQIEISA-N -1 0 324.337 -0.414 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)no1 ZINC001610471643 1019681794 /nfs/dbraw/zinc/68/17/94/1019681794.db2.gz VWYSOZRRDXGUOY-UHFFFAOYSA-N -1 0 311.294 -0.081 20 0 DBADRM Cc1cc(CS(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)on1 ZINC001610461031 1019681927 /nfs/dbraw/zinc/68/19/27/1019681927.db2.gz BYIFIUVRAHMCRY-SNVBAGLBSA-N -1 0 314.323 -0.038 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])on1 ZINC001610461530 1019683204 /nfs/dbraw/zinc/68/32/04/1019683204.db2.gz LXKSHMFINRKDNJ-UWVGGRQHSA-N -1 0 304.324 -0.277 20 0 DBADRM CC1(C)CC[C@@H](O)[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001575693543 1019682883 /nfs/dbraw/zinc/68/28/83/1019682883.db2.gz OSOOODJBZCQWOE-RKDXNWHRSA-N -1 0 320.357 -0.486 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC001610439097 1019683491 /nfs/dbraw/zinc/68/34/91/1019683491.db2.gz MHIYOGFGVULGLT-UHFFFAOYSA-N -1 0 319.317 -0.020 20 0 DBADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC001610450671 1019683854 /nfs/dbraw/zinc/68/38/54/1019683854.db2.gz OMTRHQYTXTUSTB-TXEJJXNPSA-N -1 0 322.317 -0.496 20 0 DBADRM CCn1cc(CC(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001506036621 1019683950 /nfs/dbraw/zinc/68/39/50/1019683950.db2.gz OUWPGGZIESSYEF-JTQLQIEISA-N -1 0 321.385 -0.094 20 0 DBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NC[C@H](C)O ZINC001610477039 1019684411 /nfs/dbraw/zinc/68/44/11/1019684411.db2.gz CIBMDHJANSLMKF-VIFPVBQESA-N -1 0 310.306 -0.106 20 0 DBADRM Cc1cccc([C@@H](CC(=O)N[C@@H](CO)C(=O)[O-])NC(N)=O)c1 ZINC001610519806 1019685015 /nfs/dbraw/zinc/68/50/15/1019685015.db2.gz NCQSAYMRSLVLEE-MNOVXSKESA-N -1 0 309.322 -0.344 20 0 DBADRM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)CN1CC(=O)NC1=O ZINC001610485662 1019685076 /nfs/dbraw/zinc/68/50/76/1019685076.db2.gz LLDFBYUPERYNPB-UHFFFAOYSA-N -1 0 307.262 -0.111 20 0 DBADRM Cc1csc(C(=O)[O-])c1NC(=O)C(=O)NC(C)(CO)CO ZINC001610544357 1019685231 /nfs/dbraw/zinc/68/52/31/1019685231.db2.gz MVZLMSILTBUVCH-UHFFFAOYSA-N -1 0 316.335 -0.447 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c(=O)[nH]1 ZINC001610504374 1019685414 /nfs/dbraw/zinc/68/54/14/1019685414.db2.gz PBQQOLYENNSWHL-SECBINFHSA-N -1 0 323.305 -0.264 20 0 DBADRM Cc1csc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)n1 ZINC001610547122 1019686427 /nfs/dbraw/zinc/68/64/27/1019686427.db2.gz AXAJDARZMVEOKP-UHFFFAOYSA-N -1 0 313.335 -0.172 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)n1 ZINC001610564216 1019688089 /nfs/dbraw/zinc/68/80/89/1019688089.db2.gz NWIMVBZQZXTWBV-KWQFWETISA-N -1 0 306.322 -0.277 20 0 DBADRM Cc1ncc(S(=O)(=O)NC[C@]2(O)CCOC2)cc1C(=O)[O-] ZINC001610565658 1019688711 /nfs/dbraw/zinc/68/87/11/1019688711.db2.gz UPYHUYCTZWHODI-GFCCVEGCSA-N -1 0 316.335 -0.482 20 0 DBADRM Cc1nc(C)c(CC(=O)N[C@H](Cn2ccnc2)C(=O)[O-])c(=O)[nH]1 ZINC001610553624 1019688836 /nfs/dbraw/zinc/68/88/36/1019688836.db2.gz NJAINZZAQNMXMN-LLVKDONJSA-N -1 0 319.321 -0.192 20 0 DBADRM Cc1ncc(S(=O)(=O)N2C[C@H](O)C[C@H](O)C2)cc1C(=O)[O-] ZINC001610564725 1019689115 /nfs/dbraw/zinc/68/91/15/1019689115.db2.gz KTMSBLBYUWKSFT-DTORHVGOSA-N -1 0 316.335 -0.796 20 0 DBADRM Cc1ncc(S(=O)(=O)NCC(=O)N(C)C)cc1C(=O)[O-] ZINC001610565943 1019689230 /nfs/dbraw/zinc/68/92/30/1019689230.db2.gz WAZZNFIHKXSQMP-UHFFFAOYSA-N -1 0 301.324 -0.545 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001610569185 1019689979 /nfs/dbraw/zinc/68/99/79/1019689979.db2.gz PVBURLCNQAEWIE-NXEZZACHSA-N -1 0 309.322 -0.486 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001610568166 1019690231 /nfs/dbraw/zinc/69/02/31/1019690231.db2.gz DAWUFQYYMLVAHQ-UHFFFAOYSA-N -1 0 324.381 -0.104 20 0 DBADRM Cc1nnnn1/C(=C\c1ccccc1)C(=O)N[C@H](CO)C(=O)[O-] ZINC001610574600 1019691660 /nfs/dbraw/zinc/69/16/60/1019691660.db2.gz VZRSMBNEWHXFHO-HBZGRHIISA-N -1 0 317.305 -0.459 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001610569706 1019691891 /nfs/dbraw/zinc/69/18/91/1019691891.db2.gz QKCHYFXKOYVFRS-BDAKNGLRSA-N -1 0 303.340 -0.815 20 0 DBADRM Cc1nonc1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001610577357 1019692123 /nfs/dbraw/zinc/69/21/23/1019692123.db2.gz RIDQQELYQDGCPF-UHFFFAOYSA-N -1 0 303.296 -0.860 20 0 DBADRM Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001610569739 1019692168 /nfs/dbraw/zinc/69/21/68/1019692168.db2.gz RPSGDHOQUCVRCW-WPRPVWTQSA-N -1 0 308.338 -0.161 20 0 DBADRM Cc1oc(CN(C)CC(=O)N2CCNC(=O)C2)cc1C(=O)[O-] ZINC001610582676 1019692347 /nfs/dbraw/zinc/69/23/47/1019692347.db2.gz VDGGORZLNYMWMF-UHFFFAOYSA-N -1 0 309.322 -0.324 20 0 DBADRM Cc1oc(CNC(=O)C(=O)NCCn2cccn2)cc1C(=O)[O-] ZINC001610583675 1019692927 /nfs/dbraw/zinc/69/29/27/1019692927.db2.gz QCYWJITUEAGJAP-UHFFFAOYSA-N -1 0 320.305 -0.085 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)C1(C(N)=O)CCC1 ZINC001610570904 1019693205 /nfs/dbraw/zinc/69/32/05/1019693205.db2.gz BRKUNKOHYVUKFJ-UHFFFAOYSA-N -1 0 308.338 -0.144 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)C(=O)NCC(F)F ZINC001610572217 1019693238 /nfs/dbraw/zinc/69/32/38/1019693238.db2.gz XEWRXBASELRMBG-UHFFFAOYSA-N -1 0 318.280 -0.418 20 0 DBADRM Cn1c(CO)nn(CN2CCOC[C@H]2CC(=O)[O-])c1=S ZINC001610598441 1019694226 /nfs/dbraw/zinc/69/42/26/1019694226.db2.gz RSOXEBNCWUMHMJ-MRVPVSSYSA-N -1 0 302.356 -0.424 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1=O ZINC001610594416 1019694398 /nfs/dbraw/zinc/69/43/98/1019694398.db2.gz NNZWHFKLFUQGSR-NRPADANISA-N -1 0 307.306 -0.189 20 0 DBADRM Cn1c2ncn(Cc3ncccc3C(=O)[O-])c2c(=O)n(C)c1=O ZINC001610594247 1019695176 /nfs/dbraw/zinc/69/51/76/1019695176.db2.gz KFJZUZXIEDJDFL-UHFFFAOYSA-N -1 0 315.289 -0.425 20 0 DBADRM Cc1sc2ncc(C(=O)N[C@@H](CO)C(=O)[O-])c(=O)n2c1C ZINC001610593820 1019695313 /nfs/dbraw/zinc/69/53/13/1019695313.db2.gz YFVPFCCWZPSOSN-QMMMGPOBSA-N -1 0 311.319 -0.452 20 0 DBADRM Cc1occc1C(=O)NCC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001610588121 1019696073 /nfs/dbraw/zinc/69/60/73/1019696073.db2.gz OMRSKXGPLYQEQX-VHSXEESVSA-N -1 0 310.306 -0.388 20 0 DBADRM Cn1ccc([C@@H](NC(=O)CCCNC(=O)C2CC2)C(=O)[O-])n1 ZINC001610607435 1019697308 /nfs/dbraw/zinc/69/73/08/1019697308.db2.gz BHFZROOWBWVPQW-GFCCVEGCSA-N -1 0 308.338 -0.032 20 0 DBADRM Cn1ccc(N2CCC[C@H](N3CCC(O)(C(=O)[O-])CC3)C2=O)n1 ZINC001610608976 1019697996 /nfs/dbraw/zinc/69/79/96/1019697996.db2.gz WHKZZJOIGPXDQN-NSHDSACASA-N -1 0 322.365 -0.173 20 0 DBADRM Cn1ccc(CNC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001610608735 1019698173 /nfs/dbraw/zinc/69/81/73/1019698173.db2.gz TYXPGYNCDPWLJV-JTQLQIEISA-N -1 0 319.325 -0.134 20 0 DBADRM Cn1cccc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1=O ZINC001610610360 1019698266 /nfs/dbraw/zinc/69/82/66/1019698266.db2.gz YNNZZOWJVTZNQM-SECBINFHSA-N -1 0 317.305 -0.238 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@@](C)(O)C1CC1 ZINC001610614868 1019699715 /nfs/dbraw/zinc/69/97/15/1019699715.db2.gz WMWHLONRLMOJJJ-CYBMUJFWSA-N -1 0 310.310 -0.666 20 0 DBADRM Cn1cnn(CC(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)c1=O ZINC001610611610 1019700323 /nfs/dbraw/zinc/70/03/23/1019700323.db2.gz MOHOOTNMUBNHKR-CQSZACIVSA-N -1 0 319.321 -0.517 20 0 DBADRM Cn1cncc1[C@@H]1CC(=O)N(CN2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001610611442 1019700456 /nfs/dbraw/zinc/70/04/56/1019700456.db2.gz IFLLJKSEFLCPEL-VXGBXAGGSA-N -1 0 322.365 -0.131 20 0 DBADRM Cn1cnn(CC(=O)N[C@](C)(C(=O)[O-])c2ccc(F)cc2)c1=O ZINC001610611679 1019700643 /nfs/dbraw/zinc/70/06/43/1019700643.db2.gz QUISPSALIRRIGM-AWEZNQCLSA-N -1 0 322.296 -0.163 20 0 DBADRM Cn1ncc(CNC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])n1 ZINC001610613743 1019700890 /nfs/dbraw/zinc/70/08/90/1019700890.db2.gz FYJQTIVKCCNLGS-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cn1cnc2cc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])ccc21 ZINC001610611430 1019700910 /nfs/dbraw/zinc/70/09/10/1019700910.db2.gz HYOPKSXSPJWUNY-LBPRGKRZSA-N -1 0 316.317 -0.011 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCC1CCOCC1 ZINC001610614052 1019700977 /nfs/dbraw/zinc/70/09/77/1019700977.db2.gz MAHNXGLWJPKAFP-UHFFFAOYSA-N -1 0 324.337 -0.010 20 0 DBADRM COCC(=O)NC1(CNC(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001506068274 1019701902 /nfs/dbraw/zinc/70/19/02/1019701902.db2.gz IURIQBDJXWQMRA-UHFFFAOYSA-N -1 0 319.321 -0.952 20 0 DBADRM Cn1nnc2cc(C(=O)N[C@@H](Cn3ccnc3)C(=O)[O-])cnc21 ZINC001610617046 1019702715 /nfs/dbraw/zinc/70/27/15/1019702715.db2.gz HKQAVAQFYWJDFV-JTQLQIEISA-N -1 0 315.293 -0.557 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CNC(=O)c1ccncc1)C(=O)[O-] ZINC001610615695 1019702969 /nfs/dbraw/zinc/70/29/69/1019702969.db2.gz FFRIWCTYGNAGEK-GFCCVEGCSA-N -1 0 317.305 -0.513 20 0 DBADRM Cn1nccc1CC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610616320 1019703599 /nfs/dbraw/zinc/70/35/99/1019703599.db2.gz LASVECDQEKUKBE-SNVBAGLBSA-N -1 0 304.310 -0.274 20 0 DBADRM Cn1nnc(CNC(=O)C(=O)Nc2sccc2C(=O)[O-])n1 ZINC001610617165 1019704316 /nfs/dbraw/zinc/70/43/16/1019704316.db2.gz OQHFXFNTEZWCQK-UHFFFAOYSA-N -1 0 310.295 -0.775 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC001610635767 1019705023 /nfs/dbraw/zinc/70/50/23/1019705023.db2.gz QRPXLHIJELYMRW-BBBLOLIVSA-N -1 0 311.338 -0.920 20 0 DBADRM NC(=O)CN1CCN(Cc2ccc(C(=O)[O-])cc2F)CC1=O ZINC001610637460 1019705875 /nfs/dbraw/zinc/70/58/75/1019705875.db2.gz FGMVVKPABWLYPC-UHFFFAOYSA-N -1 0 309.297 -0.347 20 0 DBADRM NC(=O)C1(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)CCC1 ZINC001610634770 1019706070 /nfs/dbraw/zinc/70/60/70/1019706070.db2.gz HWAOVSISTRKGIN-UHFFFAOYSA-N -1 0 304.368 -0.041 20 0 DBADRM NC(=O)C1CCN(C(=O)CN2CC[C@](F)(C(=O)[O-])C2)CC1 ZINC001610636197 1019706220 /nfs/dbraw/zinc/70/62/20/1019706220.db2.gz PFNPXHJGJFYWPD-CYBMUJFWSA-N -1 0 301.318 -0.791 20 0 DBADRM NC(=O)CN1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC001610637688 1019706486 /nfs/dbraw/zinc/70/64/86/1019706486.db2.gz IXHOGSASGWPJIL-UHFFFAOYSA-N -1 0 305.334 -0.443 20 0 DBADRM NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001610634640 1019706505 /nfs/dbraw/zinc/70/65/05/1019706505.db2.gz FBVBIARHYIJKKZ-LURJTMIESA-N -1 0 319.364 -0.130 20 0 DBADRM NC(=O)C1(NC(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001610635439 1019706589 /nfs/dbraw/zinc/70/65/89/1019706589.db2.gz UAXFPOLNYURKMD-UHFFFAOYSA-N -1 0 321.289 -0.777 20 0 DBADRM NC(=O)C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001610635046 1019706693 /nfs/dbraw/zinc/70/66/93/1019706693.db2.gz BGTZEVTZWUXYHO-LPEHRKFASA-N -1 0 311.338 -0.920 20 0 DBADRM NC(=O)CSCC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001610637051 1019707239 /nfs/dbraw/zinc/70/72/39/1019707239.db2.gz VVZUGAZITGDWNW-UHFFFAOYSA-N -1 0 315.351 -0.573 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1 ZINC001610641564 1019707824 /nfs/dbraw/zinc/70/78/24/1019707824.db2.gz WPZROCICOMKDAV-GHMZBOCLSA-N -1 0 322.317 -0.542 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1 ZINC001610640139 1019708625 /nfs/dbraw/zinc/70/86/25/1019708625.db2.gz GPQUSGZHATUGOW-NWDGAFQWSA-N -1 0 321.333 -0.238 20 0 DBADRM NC(=O)Cc1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)cc1 ZINC001610638737 1019708756 /nfs/dbraw/zinc/70/87/56/1019708756.db2.gz KFHPAXMHZWKNEJ-UHFFFAOYSA-N -1 0 319.317 -0.366 20 0 DBADRM NC(=O)Cn1cnc(-c2noc(CCSCC(=O)[O-])n2)n1 ZINC001610638853 1019709296 /nfs/dbraw/zinc/70/92/96/1019709296.db2.gz QJHWHPPALHTWAK-UHFFFAOYSA-N -1 0 312.311 -0.826 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1 ZINC001610640481 1019709493 /nfs/dbraw/zinc/70/94/93/1019709493.db2.gz ALEVPZDWFXBQJQ-URLYPYJESA-N -1 0 310.331 -0.263 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001610639854 1019709690 /nfs/dbraw/zinc/70/96/90/1019709690.db2.gz GUYUVYGEWFILBB-UWVGGRQHSA-N -1 0 321.333 -0.509 20 0 DBADRM NC(=O)N[C@@H](CO)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001610638257 1019710520 /nfs/dbraw/zinc/71/05/20/1019710520.db2.gz KPBZNZOSTWJUMY-UWVGGRQHSA-N -1 0 313.285 -0.861 20 0 DBADRM NS(=O)(=O)Cc1ccc(C(=O)N[C@@H](CF)C(=O)[O-])cc1 ZINC001610645674 1019711350 /nfs/dbraw/zinc/71/13/50/1019711350.db2.gz ACEGIUSXZKJHFU-VIFPVBQESA-N -1 0 304.299 -0.372 20 0 DBADRM Nc1c(NC(=O)C2=NN(CCO)C(=O)CC2)cccc1C(=O)[O-] ZINC001610646632 1019711874 /nfs/dbraw/zinc/71/18/74/1019711874.db2.gz QDVGSFQALVGLCO-UHFFFAOYSA-N -1 0 320.305 -0.124 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC001610642505 1019712619 /nfs/dbraw/zinc/71/26/19/1019712619.db2.gz ZQPLHLZZUWIPFF-QMMMGPOBSA-N -1 0 320.305 -0.558 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])cn1 ZINC001610647884 1019712875 /nfs/dbraw/zinc/71/28/75/1019712875.db2.gz SHSAOBDBGHUUMM-RKDXNWHRSA-N -1 0 313.335 -0.288 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001610645973 1019712973 /nfs/dbraw/zinc/71/29/73/1019712973.db2.gz SSHOPUQYOAFTGU-QMMMGPOBSA-N -1 0 301.324 -0.394 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)CNC(=O)CC2CCCC2)C1 ZINC001610650688 1019713723 /nfs/dbraw/zinc/71/37/23/1019713723.db2.gz IEBPHOHANNIZFR-NWDGAFQWSA-N -1 0 312.366 -0.023 20 0 DBADRM CNS(=O)(=O)NCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001610960530 1019752390 /nfs/dbraw/zinc/75/23/90/1019752390.db2.gz YDHOFCWJCSOZTL-SECBINFHSA-N -1 0 307.372 -0.714 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC001610968626 1019752494 /nfs/dbraw/zinc/75/24/94/1019752494.db2.gz HUFNASVKINFELE-BDAKNGLRSA-N -1 0 300.311 -0.813 20 0 DBADRM O=C([O-])c1ccc(NC(=O)CCN2CCCS2(=O)=O)nn1 ZINC001610656308 1019715198 /nfs/dbraw/zinc/71/51/98/1019715198.db2.gz SVBOMQHEKZGFNF-UHFFFAOYSA-N -1 0 314.323 -0.461 20 0 DBADRM O=C(CN1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O)NCC1CC1 ZINC001610661657 1019715299 /nfs/dbraw/zinc/71/52/99/1019715299.db2.gz FVEMRBIAVOPDMC-ZJUUUORDSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)CC(=O)NCC(F)(F)F)nn1 ZINC001610651092 1019716080 /nfs/dbraw/zinc/71/60/80/1019716080.db2.gz MUZCZVDODGNUCJ-UHFFFAOYSA-N -1 0 323.231 -0.839 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CN1CCOCC1=O)Cc1ccncc1 ZINC001610663549 1019716279 /nfs/dbraw/zinc/71/62/79/1019716279.db2.gz WYBFEYCUCJVGBC-GFCCVEGCSA-N -1 0 321.333 -0.700 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(CC(=O)NC[C@H]2CCCO2)CC1 ZINC001610662711 1019716315 /nfs/dbraw/zinc/71/63/15/1019716315.db2.gz NQAGCPNYAUKCQH-DGCLKSJQSA-N -1 0 300.355 -0.561 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@@H]2COc3ccccc3C2=O)nn1 ZINC001610677609 1019716732 /nfs/dbraw/zinc/71/67/32/1019716732.db2.gz ZEQNVLGKLUTORX-SNVBAGLBSA-N -1 0 316.273 -0.264 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC001610683159 1019717059 /nfs/dbraw/zinc/71/70/59/1019717059.db2.gz PBEINIHAVPMCLV-LLVKDONJSA-N -1 0 313.354 -0.524 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)c1cnn2cccnc12 ZINC001610681176 1019717699 /nfs/dbraw/zinc/71/76/99/1019717699.db2.gz FLOZHRGYAAKTBD-JTQLQIEISA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])[C@]1(NC(=O)C2CCS(=O)(=O)CC2)CCSC1 ZINC001610683546 1019717977 /nfs/dbraw/zinc/71/79/77/1019717977.db2.gz UNITXQIBZZOIKF-NSHDSACASA-N -1 0 307.393 -0.112 20 0 DBADRM O=C([O-])c1ccc(=O)n(CC(=O)NC(=O)NCc2ccco2)n1 ZINC001610678432 1019718145 /nfs/dbraw/zinc/71/81/45/1019718145.db2.gz ALDUPLWYIQOQNT-UHFFFAOYSA-N -1 0 320.261 -0.440 20 0 DBADRM O=C(CN1CCCC1=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001610664459 1019718161 /nfs/dbraw/zinc/71/81/61/1019718161.db2.gz STZDQNBFGAVSFE-UHFFFAOYSA-N -1 0 312.322 -0.525 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)CNC(=O)Cc2ccccc2)C1 ZINC001610674608 1019718192 /nfs/dbraw/zinc/71/81/92/1019718192.db2.gz BNCJXCBUEGTPRN-OLZOCXBDSA-N -1 0 320.345 -0.361 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)CNC(=O)Cc2ccccc2)C1 ZINC001610674606 1019719034 /nfs/dbraw/zinc/71/90/34/1019719034.db2.gz BNCJXCBUEGTPRN-CHWSQXEVSA-N -1 0 320.345 -0.361 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NCC(C2CC2)C2CC2)C1 ZINC001610684532 1019719503 /nfs/dbraw/zinc/71/95/03/1019719503.db2.gz ASVFZUVUNFYCJW-RYUDHWBXSA-N -1 0 324.377 -0.167 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@@H]2CCn3ccnc3C2)nn1 ZINC001610695247 1019719568 /nfs/dbraw/zinc/71/95/68/1019719568.db2.gz ASBVTYWSWKNFCR-SECBINFHSA-N -1 0 319.325 -0.513 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC001610695975 1019720016 /nfs/dbraw/zinc/72/00/16/1019720016.db2.gz YRSFAZUGVZDXHO-RYUDHWBXSA-N -1 0 306.318 -0.147 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCC(C2CC2)C2CC2)C1 ZINC001610684531 1019720225 /nfs/dbraw/zinc/72/02/25/1019720225.db2.gz ASVFZUVUNFYCJW-NWDGAFQWSA-N -1 0 324.377 -0.167 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 ZINC001610696037 1019720549 /nfs/dbraw/zinc/72/05/49/1019720549.db2.gz ZBXCOZSKJZUOFC-OLZOCXBDSA-N -1 0 320.345 -0.218 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCC(C2CC2)C2CC2)C1 ZINC001610684530 1019721506 /nfs/dbraw/zinc/72/15/06/1019721506.db2.gz ASVFZUVUNFYCJW-NEPJUHHUSA-N -1 0 324.377 -0.167 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)NC[C@@H]3COCCO3)C[C@H]1COCC2 ZINC001610691430 1019721626 /nfs/dbraw/zinc/72/16/26/1019721626.db2.gz YHULNAUTDIVPMR-MISXGVKJSA-N -1 0 314.338 -0.466 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCc2ccccc2F)C1 ZINC001610697894 1019721689 /nfs/dbraw/zinc/72/16/89/1019721689.db2.gz FTZYAYLEQCFOOA-GHMZBOCLSA-N -1 0 324.308 -0.264 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)N1C[C@H](O)C[C@H]1CO ZINC001610713139 1019722155 /nfs/dbraw/zinc/72/21/55/1019722155.db2.gz DFIVOCGZHYTQRA-NKWVEPMBSA-N -1 0 314.319 -0.661 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc2nnc(C(F)F)n2c1 ZINC001610701722 1019722182 /nfs/dbraw/zinc/72/21/82/1019722182.db2.gz SXSMPSNLAQMQDZ-LURJTMIESA-N -1 0 300.221 -0.158 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)[C@H](C)n2cncn2)c1[O-] ZINC001575784125 1019722304 /nfs/dbraw/zinc/72/23/04/1019722304.db2.gz PXQAAIPNJYLZKK-VIFPVBQESA-N -1 0 321.341 -0.487 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)[C@H]2CCCNC2=O)c1[O-] ZINC001575783252 1019722547 /nfs/dbraw/zinc/72/25/47/1019722547.db2.gz ANJPRLKUZISDDT-VIFPVBQESA-N -1 0 323.353 -0.814 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001610717848 1019723729 /nfs/dbraw/zinc/72/37/29/1019723729.db2.gz YLXDIOPJFRWRFG-ZLUOBGJFSA-N -1 0 300.208 -0.018 20 0 DBADRM O=C([O-])C1(NC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC001610705046 1019723841 /nfs/dbraw/zinc/72/38/41/1019723841.db2.gz GGCULFCURZCQJZ-UHFFFAOYSA-N -1 0 315.289 -0.061 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 ZINC001610715390 1019724083 /nfs/dbraw/zinc/72/40/83/1019724083.db2.gz FCYWDKFYPGVSTN-QWHCGFSZSA-N -1 0 320.345 -0.218 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(S(=O)(=O)CCCN2CCOCC2)C1 ZINC001610728995 1019724755 /nfs/dbraw/zinc/72/47/55/1019724755.db2.gz VPFBCGMWLCKLIZ-GFCCVEGCSA-N -1 0 324.374 -0.463 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)[C@H]1CCCCS1(=O)=O ZINC001610733374 1019725153 /nfs/dbraw/zinc/72/51/53/1019725153.db2.gz RUGAIQCJVXNEEU-AEJSXWLSSA-N -1 0 305.352 -0.610 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2cnc3n2CCC3)C1 ZINC001610737330 1019725921 /nfs/dbraw/zinc/72/59/21/1019725921.db2.gz PJAXXARODPKWTD-RKDXNWHRSA-N -1 0 315.351 -0.715 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)CCCCC1 ZINC001610727812 1019726171 /nfs/dbraw/zinc/72/61/71/1019726171.db2.gz NZIGUDPPVDANHL-AOOOYVTPSA-N -1 0 307.368 -0.611 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(S(=O)(=O)CC[C@H]2CCCO2)C1 ZINC001610734150 1019726394 /nfs/dbraw/zinc/72/63/94/1019726394.db2.gz AFLCHROPHUCUEI-GMTAPVOTSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(S(=O)(=O)CCC2CCOCC2)C1 ZINC001610738526 1019727485 /nfs/dbraw/zinc/72/74/85/1019727485.db2.gz XSJNLPGLBSOWBP-RYUDHWBXSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)NC1COCCOC1 ZINC001610743675 1019728012 /nfs/dbraw/zinc/72/80/12/1019728012.db2.gz KYPADCDGHMNBAV-GHMZBOCLSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2cc(Cn3cccn3)on2)C1 ZINC001610738908 1019728366 /nfs/dbraw/zinc/72/83/66/1019728366.db2.gz RVKBGQICOCDEQA-NXEZZACHSA-N -1 0 320.305 -0.173 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CCO1 ZINC001610746643 1019728383 /nfs/dbraw/zinc/72/83/83/1019728383.db2.gz WHKIGTJYDXXKCW-SFYZADRCSA-N -1 0 324.255 -0.148 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)C[C@H]2CCCS(=O)(=O)C2)CCOC1 ZINC001610755711 1019730512 /nfs/dbraw/zinc/73/05/12/1019730512.db2.gz JKYTZHYOSNMPQE-ZWNOBZJWSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cn2cccnc2n1 ZINC001610761737 1019731660 /nfs/dbraw/zinc/73/16/60/1019731660.db2.gz JTVUFIZINLSFKB-SECBINFHSA-N -1 0 303.278 -0.855 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cccc2[nH]c(=O)oc21 ZINC001610761942 1019731760 /nfs/dbraw/zinc/73/17/60/1019731760.db2.gz NFOWXKZIXWCOKD-SECBINFHSA-N -1 0 319.273 -0.051 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cc(F)cc2n[nH]nc21 ZINC001610759727 1019732372 /nfs/dbraw/zinc/73/23/72/1019732372.db2.gz GAVXQJGIYFULMF-VIFPVBQESA-N -1 0 321.268 -0.488 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1cnc2nccnc2c1 ZINC001610773856 1019732722 /nfs/dbraw/zinc/73/27/22/1019732722.db2.gz HHBXSQXNMPJDKW-UHFFFAOYSA-N -1 0 304.262 -0.228 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCOC2(CCOCC2)C1 ZINC001610769628 1019733001 /nfs/dbraw/zinc/73/30/01/1019733001.db2.gz XMVQUYBFIIJLQT-UHFFFAOYSA-N -1 0 314.338 -0.625 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC001610779699 1019733019 /nfs/dbraw/zinc/73/30/19/1019733019.db2.gz PSIHTOMAPJUEPF-UHFFFAOYSA-N -1 0 307.262 -0.453 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1cccc2c1OC(=O)C2 ZINC001610774221 1019733383 /nfs/dbraw/zinc/73/33/83/1019733383.db2.gz ZKPMASOBGQZFKG-UHFFFAOYSA-N -1 0 307.258 -0.104 20 0 DBADRM O=C([O-])CCc1nc(COC(=O)CO[C@H]2CCOC2)no1 ZINC001610778815 1019733438 /nfs/dbraw/zinc/73/34/38/1019733438.db2.gz NDJVAYCRYRKAAG-QMMMGPOBSA-N -1 0 300.267 -0.065 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC001610768259 1019733456 /nfs/dbraw/zinc/73/34/56/1019733456.db2.gz SIXCXBXBGBZIOZ-SNVBAGLBSA-N -1 0 319.383 -0.329 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1CC1(O)CCS(=O)(=O)CC1 ZINC001610765038 1019733813 /nfs/dbraw/zinc/73/38/13/1019733813.db2.gz CXJURGUJRBEKNW-SNVBAGLBSA-N -1 0 323.436 -0.182 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001610764694 1019734786 /nfs/dbraw/zinc/73/47/86/1019734786.db2.gz CIITYMNNJUYLGE-ZETCQYMHSA-N -1 0 306.278 -0.021 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)CNC(=O)c1ccccc1 ZINC001610774111 1019735233 /nfs/dbraw/zinc/73/52/33/1019735233.db2.gz HJJAWPSFBILADV-UHFFFAOYSA-N -1 0 308.290 -0.450 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)CNC(=O)CC1CCCCC1 ZINC001610782269 1019735893 /nfs/dbraw/zinc/73/58/93/1019735893.db2.gz ONMNGBBSYDIIAA-UHFFFAOYSA-N -1 0 313.354 -0.610 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CCc1cnccn1 ZINC001610779887 1019737333 /nfs/dbraw/zinc/73/73/33/1019737333.db2.gz HXFTUAXVTTVXDU-UHFFFAOYSA-N -1 0 322.365 -0.345 20 0 DBADRM CC1(NC(=O)CCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CCC1 ZINC001575815341 1019737290 /nfs/dbraw/zinc/73/72/90/1019737290.db2.gz YFYDIBCWVNJILM-UHFFFAOYSA-N -1 0 319.325 -0.422 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)/C=C\[C@H]1CCCO1 ZINC001610779922 1019737822 /nfs/dbraw/zinc/73/78/22/1019737822.db2.gz KYEPULQXTZIDRP-DHCBQETCSA-N -1 0 312.366 -0.033 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Cn1cnc(-c2ccccc2)n1 ZINC001610782198 1019738046 /nfs/dbraw/zinc/73/80/46/1019738046.db2.gz ICHLACHTZKHEEM-UHFFFAOYSA-N -1 0 317.305 -0.738 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)c2cnn3ccncc23)nn1 ZINC001610799914 1019738618 /nfs/dbraw/zinc/73/86/18/1019738618.db2.gz SHICXUHZVYQZBZ-UHFFFAOYSA-N -1 0 316.277 -0.195 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCO[C@]3(CCCOC3)C2)C(=O)O1 ZINC001610802310 1019738820 /nfs/dbraw/zinc/73/88/20/1019738820.db2.gz CPMFXAKBWMJADN-GXFFZTMASA-N -1 0 300.311 -0.269 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)NCCOCCO)c1 ZINC001610796923 1019739581 /nfs/dbraw/zinc/73/95/81/1019739581.db2.gz UNUYQCSTULZELG-UHFFFAOYSA-N -1 0 303.336 -0.399 20 0 DBADRM O=C([O-])Cn1cc(CC[S@@](=O)c2n[nH]c(C3CC3)n2)nn1 ZINC001610799781 1019739656 /nfs/dbraw/zinc/73/96/56/1019739656.db2.gz HIDXOFCMVDRQJA-OAQYLSRUSA-N -1 0 310.339 -0.292 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)NCCC3CS(=O)(=O)C3)C[C@@H]21 ZINC001610803244 1019740806 /nfs/dbraw/zinc/74/08/06/1019740806.db2.gz LBIXZQVLRMWZAV-MYJAWHEDSA-N -1 0 302.352 -0.607 20 0 DBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)c1 ZINC001610813171 1019741337 /nfs/dbraw/zinc/74/13/37/1019741337.db2.gz GZSAHRUEQSPXGL-AOOOYVTPSA-N -1 0 305.283 -0.750 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N(CCO)C2CCOCC2)c[nH]1 ZINC001610816253 1019742264 /nfs/dbraw/zinc/74/22/64/1019742264.db2.gz ZTBFCGPXZIKEMK-UHFFFAOYSA-N -1 0 318.351 -0.125 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)CCn3ccnn3)C2)nn1 ZINC001610856460 1019743092 /nfs/dbraw/zinc/74/30/92/1019743092.db2.gz SNYRKNSYNSPQCV-JTQLQIEISA-N -1 0 319.325 -0.178 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)on1 ZINC001610808636 1019743203 /nfs/dbraw/zinc/74/32/03/1019743203.db2.gz GCSPMNTWNICWFP-SNVBAGLBSA-N -1 0 323.305 -0.164 20 0 DBADRM O=C([O-])c1cc(F)ccc1S(=O)(=O)N1C[C@H](O)C[C@H](O)C1 ZINC001610815855 1019743359 /nfs/dbraw/zinc/74/33/59/1019743359.db2.gz WWLGVRRTEFWBEB-DTORHVGOSA-N -1 0 319.310 -0.360 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)nn1 ZINC001610884408 1019747270 /nfs/dbraw/zinc/74/72/70/1019747270.db2.gz PQQJFWZQCBZHFQ-SECBINFHSA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)NC2COCCOC2)c1 ZINC001610865957 1019747680 /nfs/dbraw/zinc/74/76/80/1019747680.db2.gz WHKUTALALVGSEK-UHFFFAOYSA-N -1 0 302.308 -0.527 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC001610920485 1019749353 /nfs/dbraw/zinc/74/93/53/1019749353.db2.gz JNQPLIFUGNNJLU-LLVKDONJSA-N -1 0 324.337 -0.066 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC001610920486 1019749835 /nfs/dbraw/zinc/74/98/35/1019749835.db2.gz JNQPLIFUGNNJLU-NSHDSACASA-N -1 0 324.337 -0.066 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001610887223 1019749967 /nfs/dbraw/zinc/74/99/67/1019749967.db2.gz NSYCMFXKRBMRHG-GXSJLCMTSA-N -1 0 321.289 -0.537 20 0 DBADRM CN(C)C(=O)c1ccnc(NC(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001610894304 1019750313 /nfs/dbraw/zinc/75/03/13/1019750313.db2.gz NAVGIJAJRPSAST-CYBMUJFWSA-N -1 0 310.310 -0.260 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001610904639 1019750748 /nfs/dbraw/zinc/75/07/48/1019750748.db2.gz KICHHOFCZRJDJN-CQSZACIVSA-N -1 0 321.337 -0.196 20 0 DBADRM CN(CCC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001610924149 1019751451 /nfs/dbraw/zinc/75/14/51/1019751451.db2.gz PBGNAFGEWBNVHH-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC001610968628 1019752071 /nfs/dbraw/zinc/75/20/71/1019752071.db2.gz HUFNASVKINFELE-IUCAKERBSA-N -1 0 300.311 -0.813 20 0 DBADRM CNC(=O)CCCN(C)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001610956181 1019752186 /nfs/dbraw/zinc/75/21/86/1019752186.db2.gz BRDVXIFFUISLOH-AWEZNQCLSA-N -1 0 313.354 -0.706 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC001610968629 1019753032 /nfs/dbraw/zinc/75/30/32/1019753032.db2.gz HUFNASVKINFELE-RKDXNWHRSA-N -1 0 300.311 -0.813 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC001610956277 1019753798 /nfs/dbraw/zinc/75/37/98/1019753798.db2.gz MNZNDHOTVKFPIN-CQSZACIVSA-N -1 0 309.322 -0.068 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CCO1 ZINC001611000241 1019754638 /nfs/dbraw/zinc/75/46/38/1019754638.db2.gz IZXMJRAWUALQDP-NXEZZACHSA-N -1 0 302.327 -0.961 20 0 DBADRM CO[C@@H]1CCCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001610991482 1019755865 /nfs/dbraw/zinc/75/58/65/1019755865.db2.gz QRTQRNZICNMCRA-OUAUKWLOSA-N -1 0 319.379 -0.098 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)c2cnc(C(=O)[O-])cn2)CCC1 ZINC001611074806 1019756233 /nfs/dbraw/zinc/75/62/33/1019756233.db2.gz MZCSEUGXIGQITB-UHFFFAOYSA-N -1 0 313.335 -0.128 20 0 DBADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001611191039 1019757330 /nfs/dbraw/zinc/75/73/30/1019757330.db2.gz IKQOVZDRPDBTCX-LBPRGKRZSA-N -1 0 316.335 -0.792 20 0 DBADRM Cc1c(Cl)cncc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001611122572 1019757705 /nfs/dbraw/zinc/75/77/05/1019757705.db2.gz XRNFOYXPWPBFKR-LBPRGKRZSA-N -1 0 315.713 -0.066 20 0 DBADRM Cn1c2cc(NC(=O)Cn3c(=O)[n-][nH]c3=O)ccc2oc1=O ZINC001611147896 1019759348 /nfs/dbraw/zinc/75/93/48/1019759348.db2.gz YFRQOVDYSHBWTR-UHFFFAOYSA-N -1 0 305.250 -0.227 20 0 DBADRM Cc1c(C(=O)NC[C@](C)(O)C(=O)[O-])cccc1S(N)(=O)=O ZINC001611118704 1019759592 /nfs/dbraw/zinc/75/95/92/1019759592.db2.gz VGMHHDCVASTIFJ-LBPRGKRZSA-N -1 0 316.335 -0.792 20 0 DBADRM O=C([O-])C(=O)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC001611334062 1019762206 /nfs/dbraw/zinc/76/22/06/1019762206.db2.gz DGGQZOBETPSGRV-ZJUUUORDSA-N -1 0 300.311 -0.033 20 0 DBADRM NC(=O)CC1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001611304819 1019762284 /nfs/dbraw/zinc/76/22/84/1019762284.db2.gz LAUVUOKYAUINMA-UHFFFAOYSA-N -1 0 305.290 -0.343 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC001611401684 1019763065 /nfs/dbraw/zinc/76/30/65/1019763065.db2.gz MWTHYYIHZYTZGK-FSDSQADBSA-N -1 0 315.269 -0.105 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(Cl)c[nH]1 ZINC001611401479 1019763866 /nfs/dbraw/zinc/76/38/66/1019763866.db2.gz FUFFWLDTMXYARX-QMMMGPOBSA-N -1 0 306.727 -0.008 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N(C[C@@H]2CCOC2)C2CC2)C1 ZINC001611369654 1019764276 /nfs/dbraw/zinc/76/42/76/1019764276.db2.gz HCURLLAGFWHRNV-WDEREUQCSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)C1 ZINC001611369637 1019764529 /nfs/dbraw/zinc/76/45/29/1019764529.db2.gz BDZYJUHLMMMMRZ-YUMQZZPRSA-N -1 0 306.265 -0.852 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CCc2cc(O)ccc2C1 ZINC001611443509 1019765587 /nfs/dbraw/zinc/76/55/87/1019765587.db2.gz SPWZGLMRPLXVIN-LLVKDONJSA-N -1 0 306.318 -0.043 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC001611475217 1019765851 /nfs/dbraw/zinc/76/58/51/1019765851.db2.gz FCLFIHPRCWRDAQ-UHFFFAOYSA-N -1 0 320.301 -0.064 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC001611443214 1019767530 /nfs/dbraw/zinc/76/75/30/1019767530.db2.gz HMGOZUFWYWAXDN-JTQLQIEISA-N -1 0 306.322 -0.633 20 0 DBADRM O=C([O-])CCC(=O)OCC(=O)N1CCN(c2cnccn2)CC1 ZINC001611421620 1019767696 /nfs/dbraw/zinc/76/76/96/1019767696.db2.gz PJKXJCUBEFLHSZ-UHFFFAOYSA-N -1 0 322.321 -0.467 20 0 DBADRM O=C([O-])CNC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC001611480137 1019767920 /nfs/dbraw/zinc/76/79/20/1019767920.db2.gz HTGOENVDIRWURL-ZETCQYMHSA-N -1 0 302.312 -0.551 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001506162889 1019768308 /nfs/dbraw/zinc/76/83/08/1019768308.db2.gz YOZFOYWLHAUBTQ-JGVFFNPUSA-N -1 0 309.326 -0.890 20 0 DBADRM CC(F)(F)C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001506161828 1019768693 /nfs/dbraw/zinc/76/86/93/1019768693.db2.gz KLGXWZSSRSYYBC-UHFFFAOYSA-N -1 0 319.268 -0.891 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)c(F)c1 ZINC001611569357 1019770931 /nfs/dbraw/zinc/77/09/31/1019770931.db2.gz YPFKQFSRILMXNM-SSDOTTSWSA-N -1 0 309.253 -0.533 20 0 DBADRM C[C@H]1CC(=O)NN1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC001575939963 1019771856 /nfs/dbraw/zinc/77/18/56/1019771856.db2.gz TZRCZZBGEYVKOO-VIFPVBQESA-N -1 0 315.337 -0.392 20 0 DBADRM CC1CC(C(=O)N(C)CCNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575943997 1019775153 /nfs/dbraw/zinc/77/51/53/1019775153.db2.gz FBSDDZXSRCZPOZ-UHFFFAOYSA-N -1 0 316.369 -0.005 20 0 DBADRM O=C(CSc1cccc[n+]1[O-])N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001616141618 1019776885 /nfs/dbraw/zinc/77/68/85/1019776885.db2.gz BJIRFVPAFPQDFN-SECBINFHSA-N -1 0 322.350 -0.475 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1C[C@@H](C)O[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001575971550 1019779275 /nfs/dbraw/zinc/77/92/75/1019779275.db2.gz YACTWUJPVVFSFA-UTINFBMNSA-N -1 0 320.357 -0.051 20 0 DBADRM C[C@H](NC(=O)Cn1cnnn1)C(=O)[N-]OCCC(F)(F)F ZINC001616947517 1019784183 /nfs/dbraw/zinc/78/41/83/1019784183.db2.gz SQHRGLSBYDLUIZ-LURJTMIESA-N -1 0 310.236 -0.822 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2ccc(-c3c[nH]nn3)cn2)C(=O)N1C ZINC001576011049 1019788838 /nfs/dbraw/zinc/78/88/38/1019788838.db2.gz IDJIIFZDGPWCSO-SSDOTTSWSA-N -1 0 315.293 -0.206 20 0 DBADRM C[C@@H]1CC[C@H](CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)O1 ZINC001576113033 1019812985 /nfs/dbraw/zinc/81/29/85/1019812985.db2.gz BTPWYKRBWDPWAH-RKDXNWHRSA-N -1 0 321.345 -0.675 20 0 DBADRM C[C@@H]1CN(C(=O)C2CC2)C[C@H]1Nc1ccnc(-c2nnn[n-]2)n1 ZINC001576231744 1019827159 /nfs/dbraw/zinc/82/71/59/1019827159.db2.gz IEEIWFJKRRJABL-PSASIEDQSA-N -1 0 314.353 -0.253 20 0 DBADRM C[C@@H]1CN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCC1=O ZINC001576280089 1019834931 /nfs/dbraw/zinc/83/49/31/1019834931.db2.gz LQKKNOAOPZJNPX-MRVPVSSYSA-N -1 0 319.329 -0.921 20 0 DBADRM CCC(=O)NC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)CCO1 ZINC001576486371 1019856404 /nfs/dbraw/zinc/85/64/04/1019856404.db2.gz HMDNKVOSHGWJCS-SECBINFHSA-N -1 0 318.341 -0.612 20 0 DBADRM CC[C@@H](C)CCNC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576653183 1019876043 /nfs/dbraw/zinc/87/60/43/1019876043.db2.gz ZXISDARQVCMXLM-MRVPVSSYSA-N -1 0 321.341 -0.319 20 0 DBADRM CC[C@H](C)C[C@@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001576642203 1019876217 /nfs/dbraw/zinc/87/62/17/1019876217.db2.gz UFUCCZGDMCGGNS-YUMQZZPRSA-N -1 0 323.357 -0.125 20 0 DBADRM CC[C@H](C[C@@H](C)O)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001576704053 1019879700 /nfs/dbraw/zinc/87/97/00/1019879700.db2.gz CUUNSBHNWFCLMJ-RKDXNWHRSA-N -1 0 323.361 -0.693 20 0 DBADRM CN(CCCNC(=O)C1=CCCC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001576947336 1019959270 /nfs/dbraw/zinc/95/92/70/1019959270.db2.gz YXYVJZWWMUCJRI-UHFFFAOYSA-N -1 0 323.353 -0.236 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H](c1cn[nH]n1)c1ccccc1 ZINC001577025933 1019989087 /nfs/dbraw/zinc/98/90/87/1019989087.db2.gz QBVQWLMPGVUDJU-GFCCVEGCSA-N -1 0 304.310 -0.129 20 0 DBADRM CN(CCOCCNC(=O)c1ccncn1)Cc1n[nH]c(=O)[n-]1 ZINC001506976244 1020028539 /nfs/dbraw/zinc/02/85/39/1020028539.db2.gz ARMWURPKKXFIAD-UHFFFAOYSA-N -1 0 321.341 -0.821 20 0 DBADRM CCCC(C)(C)NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001577244049 1020038449 /nfs/dbraw/zinc/03/84/49/1020038449.db2.gz JJYCLMCWHIBCIN-UHFFFAOYSA-N -1 0 321.341 -0.176 20 0 DBADRM CCC[C@@H](C)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001577278637 1020044165 /nfs/dbraw/zinc/04/41/65/1020044165.db2.gz KOPHOSZPCNGUKG-MRVPVSSYSA-N -1 0 321.341 -0.319 20 0 DBADRM CCC[C@@H](CCO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001577325537 1020054405 /nfs/dbraw/zinc/05/44/05/1020054405.db2.gz CUCDFINSDPHHOX-QMMMGPOBSA-N -1 0 323.357 -0.773 20 0 DBADRM CCCOCC(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001577687237 1020104559 /nfs/dbraw/zinc/10/45/59/1020104559.db2.gz YGGCVQJYYCUFOA-UHFFFAOYSA-N -1 0 320.357 -0.625 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1ccc(OCc2cn[nH]n2)cc1 ZINC001577695928 1020108026 /nfs/dbraw/zinc/10/80/26/1020108026.db2.gz AWKARWVVEIAAON-UHFFFAOYSA-N -1 0 300.282 -0.419 20 0 DBADRM O=C(CCCc1cn[nH]n1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001577866698 1020130342 /nfs/dbraw/zinc/13/03/42/1020130342.db2.gz XLSXJWOPYSTBNF-SNVBAGLBSA-N -1 0 320.357 -0.658 20 0 DBADRM CC/C(C)=C\C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001578033059 1020176351 /nfs/dbraw/zinc/17/63/51/1020176351.db2.gz SXMSTKBIKHVXTQ-ABRRARGCSA-N -1 0 323.353 -0.237 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001578227841 1020203200 /nfs/dbraw/zinc/20/32/00/1020203200.db2.gz XEARMYOQLUNPNL-QMMMGPOBSA-N -1 0 318.341 -0.686 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)NCc1nc(-c2nn[nH]n2)cs1 ZINC001578227676 1020203490 /nfs/dbraw/zinc/20/34/90/1020203490.db2.gz QXQDJKKIOVNIDY-LURJTMIESA-N -1 0 324.370 -0.353 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)NCc1ccnc(-c2nn[nH]n2)c1 ZINC001578227865 1020205118 /nfs/dbraw/zinc/20/51/18/1020205118.db2.gz YIOAFXWLOGJNNI-GFCCVEGCSA-N -1 0 317.353 -0.401 20 0 DBADRM CCOC(=O)c1noc(Cn2cccc(-c3nnn[n-]3)c2=O)n1 ZINC001578255518 1020207295 /nfs/dbraw/zinc/20/72/95/1020207295.db2.gz LTMRILXPSXGVQB-UHFFFAOYSA-N -1 0 317.265 -0.364 20 0 DBADRM CCOC(=O)CCCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001578245111 1020207822 /nfs/dbraw/zinc/20/78/22/1020207822.db2.gz CUUFQGASULJTTG-UHFFFAOYSA-N -1 0 323.313 -0.579 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001578243593 1020208522 /nfs/dbraw/zinc/20/85/22/1020208522.db2.gz ZTJKEEJEYFSQNV-ZETCQYMHSA-N -1 0 320.309 -0.043 20 0 DBADRM CCOCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578364744 1020221270 /nfs/dbraw/zinc/22/12/70/1020221270.db2.gz FUSWWTRMIPCHPR-KYZUINATSA-N -1 0 318.341 -0.248 20 0 DBADRM CCOCC(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001578363990 1020221785 /nfs/dbraw/zinc/22/17/85/1020221785.db2.gz LHLHQMOFSLJEDG-QMMMGPOBSA-N -1 0 306.330 -0.968 20 0 DBADRM CCOCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001578364728 1020223234 /nfs/dbraw/zinc/22/32/34/1020223234.db2.gz FEOUHLDUMSPRCR-DTORHVGOSA-N -1 0 318.341 -0.248 20 0 DBADRM CCO[C@@]1(C)C[C@H]1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001578383446 1020226441 /nfs/dbraw/zinc/22/64/41/1020226441.db2.gz SCNHSEOMTYQKNW-PELKAZGASA-N -1 0 321.345 -0.675 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001578407799 1020231559 /nfs/dbraw/zinc/23/15/59/1020231559.db2.gz CJEZMOCPAYTGPF-UHFFFAOYSA-N -1 0 322.350 -0.479 20 0 DBADRM CC(C)=CC(=O)N[C@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001578441980 1020240460 /nfs/dbraw/zinc/24/04/60/1020240460.db2.gz KTAMLAJPXCLPBT-MGCOHNPYSA-N -1 0 320.349 -0.171 20 0 DBADRM CCc1cc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)on1 ZINC001578515067 1020250329 /nfs/dbraw/zinc/25/03/29/1020250329.db2.gz PXCYTEIUCLGJSS-UHFFFAOYSA-N -1 0 318.297 -0.172 20 0 DBADRM CCc1nnc(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)[nH]1 ZINC001578620828 1020275552 /nfs/dbraw/zinc/27/55/52/1020275552.db2.gz WIMDWUBXBBNSPJ-ZCFIWIBFSA-N -1 0 317.317 -0.984 20 0 DBADRM CCc1nn(C)cc1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001578699755 1020285581 /nfs/dbraw/zinc/28/55/81/1020285581.db2.gz AAEQNHFCZUEZFT-UHFFFAOYSA-N -1 0 317.313 -0.295 20 0 DBADRM CC(C)=CC(=O)N[C@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001578756254 1020290151 /nfs/dbraw/zinc/29/01/51/1020290151.db2.gz KTAMLAJPXCLPBT-AOOOYVTPSA-N -1 0 320.349 -0.171 20 0 DBADRM CCn1ncc(Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)c1C ZINC001578822617 1020312512 /nfs/dbraw/zinc/31/25/12/1020312512.db2.gz HDVKONFYLDRXEE-UHFFFAOYSA-N -1 0 317.313 -0.066 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC001578838334 1020314017 /nfs/dbraw/zinc/31/40/17/1020314017.db2.gz MAZRQNDGAQIPBW-UHFFFAOYSA-N -1 0 314.313 -0.383 20 0 DBADRM CN(C(=O)CCc1cnn(C)n1)c1cc(-c2nn[nH]n2)ccn1 ZINC001578874262 1020321210 /nfs/dbraw/zinc/32/12/10/1020321210.db2.gz FBIBWJCCIGWRMW-UHFFFAOYSA-N -1 0 313.325 -0.014 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)c1cccc(-c2nn[nH]n2)c1 ZINC001578886876 1020323486 /nfs/dbraw/zinc/32/34/86/1020323486.db2.gz KVNLBMMMSPYHLB-UHFFFAOYSA-N -1 0 316.281 -0.468 20 0 DBADRM CN(C(=O)c1cn(C)c(=O)[nH]1)c1cc(-c2nn[nH]n2)ccn1 ZINC001578938080 1020332274 /nfs/dbraw/zinc/33/22/74/1020332274.db2.gz FKRNPEROZBPQDF-UHFFFAOYSA-N -1 0 300.282 -0.023 20 0 DBADRM CN(CCNC(=O)[C@H]1CC1(F)F)c1ccc(-c2nn[nH]n2)nn1 ZINC001579166265 1020384959 /nfs/dbraw/zinc/38/49/59/1020384959.db2.gz AXIYTIOBWVMXHM-SSDOTTSWSA-N -1 0 324.295 -0.136 20 0 DBADRM CN(CCNC(=O)c1cc[nH]c1)c1ccc(-c2nn[nH]n2)nn1 ZINC001579196215 1020389944 /nfs/dbraw/zinc/38/99/44/1020389944.db2.gz PMCVJTTUMNLZRH-UHFFFAOYSA-N -1 0 313.325 -0.149 20 0 DBADRM CN(CCNC(=O)c1cn[nH]c1)c1cncc(-c2nn[nH]n2)n1 ZINC001579201169 1020390128 /nfs/dbraw/zinc/39/01/28/1020390128.db2.gz HOXAZXBWGVFUAS-UHFFFAOYSA-N -1 0 314.313 -0.754 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC001579266500 1020403538 /nfs/dbraw/zinc/40/35/38/1020403538.db2.gz PUGVBTUJYVBIQP-UHFFFAOYSA-N -1 0 319.256 -0.046 20 0 DBADRM COC(=O)[C@H]1CCN1C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579444201 1020460166 /nfs/dbraw/zinc/46/01/66/1020460166.db2.gz YWKRWAKOKYEGOL-MRVPVSSYSA-N -1 0 318.293 -0.337 20 0 DBADRM COC(=O)[C@H]1CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001579443685 1020462727 /nfs/dbraw/zinc/46/27/27/1020462727.db2.gz SMVIXKXBSAXZCW-ZCFIWIBFSA-N -1 0 313.295 -0.604 20 0 DBADRM COC(=O)c1cncc(Cn2cncc(-c3nnn[n-]3)c2=O)c1 ZINC001579491718 1020475752 /nfs/dbraw/zinc/47/57/52/1020475752.db2.gz OJGOQVJXZBPKLJ-UHFFFAOYSA-N -1 0 313.277 -0.347 20 0 DBADRM CO[C@@H](C)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001579533259 1020479709 /nfs/dbraw/zinc/47/97/09/1020479709.db2.gz HPSLXOUSXQZFEA-IUCAKERBSA-N -1 0 320.357 -0.050 20 0 DBADRM CO[C@@H](C)C(=O)N(C)CCN(C)c1ccc(-c2nn[nH]n2)nn1 ZINC001579533142 1020481463 /nfs/dbraw/zinc/48/14/63/1020481463.db2.gz PZHWDYKHHGPGAN-VIFPVBQESA-N -1 0 320.357 -0.414 20 0 DBADRM CO[C@H](C)C(=O)N1CC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579532979 1020481807 /nfs/dbraw/zinc/48/18/07/1020481807.db2.gz OQLAYIDWYRWGML-SSDOTTSWSA-N -1 0 319.325 -0.830 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@H](C)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001579543544 1020484024 /nfs/dbraw/zinc/48/40/24/1020484024.db2.gz AYNZKBLXIMQCSD-BDAKNGLRSA-N -1 0 320.357 -0.144 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H](C)CCNc1nccnc1-c1nn[nH]n1 ZINC001579539048 1020486772 /nfs/dbraw/zinc/48/67/72/1020486772.db2.gz FMBWGXTTXMVUPX-BDAKNGLRSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@](C)([C@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001579534129 1020488869 /nfs/dbraw/zinc/48/88/69/1020488869.db2.gz OKLCDTJJAWBERY-ISVAXAHUSA-N -1 0 320.357 -0.222 20 0 DBADRM CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)c1cn(C)nn1 ZINC001507786741 1020493813 /nfs/dbraw/zinc/49/38/13/1020493813.db2.gz DSIFXPSGAGCXDJ-UHFFFAOYSA-N -1 0 322.373 -0.379 20 0 DBADRM CO[C@H](C)CC(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001579551546 1020497782 /nfs/dbraw/zinc/49/77/82/1020497782.db2.gz CBKNVPVTEUMBHN-SECBINFHSA-N -1 0 320.357 -0.626 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001579561842 1020498241 /nfs/dbraw/zinc/49/82/41/1020498241.db2.gz KJBTTWMGPWXFDO-BDAKNGLRSA-N -1 0 320.357 -0.002 20 0 DBADRM COCC(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)cn1 ZINC001579623765 1020506600 /nfs/dbraw/zinc/50/66/00/1020506600.db2.gz KJOKYPCCXHGFIH-UHFFFAOYSA-N -1 0 321.341 -0.859 20 0 DBADRM COCC(=O)N(C)CCCNc1cnc(-c2nn[nH]n2)cn1 ZINC001579623469 1020507556 /nfs/dbraw/zinc/50/75/56/1020507556.db2.gz HYKXKNKCSVVSEM-UHFFFAOYSA-N -1 0 306.330 -0.437 20 0 DBADRM COCC(=O)N1C[C@H](Nc2cncc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001579623780 1020507844 /nfs/dbraw/zinc/50/78/44/1020507844.db2.gz LGBALPKXWXXDGT-WPRPVWTQSA-N -1 0 318.341 -0.438 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001579617817 1020508436 /nfs/dbraw/zinc/50/84/36/1020508436.db2.gz HSCLKNSOZZGBSH-OPRDCNLKSA-N -1 0 320.357 -0.097 20 0 DBADRM COCC(=O)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)[C@H]1C ZINC001579629226 1020513594 /nfs/dbraw/zinc/51/35/94/1020513594.db2.gz ZEUVJZQRSVYKLE-BDAKNGLRSA-N -1 0 318.341 -0.874 20 0 DBADRM COC[C@H](NC(=O)c1cc(-c2nn[nH]n2)[nH]c1C)c1nnn[n-]1 ZINC001579697859 1020535476 /nfs/dbraw/zinc/53/54/76/1020535476.db2.gz SOXWWDZHZAYNBB-QMMMGPOBSA-N -1 0 318.301 -0.866 20 0 DBADRM COC[C@H]1C[C@@H](NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001579823478 1020567840 /nfs/dbraw/zinc/56/78/40/1020567840.db2.gz DYSWBBIAAZOXHK-DTORHVGOSA-N -1 0 321.345 -0.818 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)/C=C\C1CC1 ZINC001579831476 1020568522 /nfs/dbraw/zinc/56/85/22/1020568522.db2.gz UHRVEDWLAMTRDB-IQXGSHKSSA-N -1 0 307.310 -0.517 20 0 DBADRM CC(=O)NC1CC(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001508330684 1020568974 /nfs/dbraw/zinc/56/89/74/1020568974.db2.gz TZYXUKCNCNGGCG-UHFFFAOYSA-N -1 0 318.337 -0.898 20 0 DBADRM CO[C@@H]1CCC[C@H]1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001579850396 1020574931 /nfs/dbraw/zinc/57/49/31/1020574931.db2.gz RFWBHNKOMGKKMS-RKDXNWHRSA-N -1 0 321.345 -0.675 20 0 DBADRM CCCCC(=O)N[C@H](C)[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001508489417 1020601748 /nfs/dbraw/zinc/60/17/48/1020601748.db2.gz VUQMEWSCTWCVPC-RKDXNWHRSA-N -1 0 313.358 -0.111 20 0 DBADRM CCCCC(=O)N[C@H](C)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001508489412 1020602058 /nfs/dbraw/zinc/60/20/58/1020602058.db2.gz VUQMEWSCTWCVPC-BDAKNGLRSA-N -1 0 313.358 -0.111 20 0 DBADRM COc1ccc(-c2nn[nH]n2)cc1NC(=O)CCc1nnn[n-]1 ZINC001579968535 1020607013 /nfs/dbraw/zinc/60/70/13/1020607013.db2.gz QCYUNUBOCNDEGW-UHFFFAOYSA-N -1 0 315.297 -0.040 20 0 DBADRM Cn1nc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)cc1N ZINC001579989397 1020617057 /nfs/dbraw/zinc/61/70/57/1020617057.db2.gz CYQWCRJIWSLZLZ-UHFFFAOYSA-N -1 0 306.326 -0.098 20 0 DBADRM COc1coc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)cc1=O ZINC001580114670 1020651917 /nfs/dbraw/zinc/65/19/17/1020651917.db2.gz XNZJZKQBUWKKQX-UHFFFAOYSA-N -1 0 303.238 -0.196 20 0 DBADRM COc1ncc(NC(=O)CCc2nnn[n-]2)cc1-c1nn[nH]n1 ZINC001580133082 1020653806 /nfs/dbraw/zinc/65/38/06/1020653806.db2.gz GEKNPAFSEJGXQW-UHFFFAOYSA-N -1 0 316.285 -0.645 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)o1 ZINC001580169313 1020662037 /nfs/dbraw/zinc/66/20/37/1020662037.db2.gz KJDNULIEAFQWQU-UHFFFAOYSA-N -1 0 323.294 -0.161 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)c2n[nH]nc2C)c1[O-] ZINC001508818179 1020679017 /nfs/dbraw/zinc/67/90/17/1020679017.db2.gz YWHQMTXPADGCBE-LURJTMIESA-N -1 0 321.341 -0.259 20 0 DBADRM C[C@@H](NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C(C)(C)C ZINC001580307368 1020685873 /nfs/dbraw/zinc/68/58/73/1020685873.db2.gz RCJJANRYLNPZDT-SSDOTTSWSA-N -1 0 321.341 -0.320 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCOC1 ZINC001580414063 1020708201 /nfs/dbraw/zinc/70/82/01/1020708201.db2.gz KXTBTOHUPDCHRR-RKDXNWHRSA-N -1 0 318.341 -0.968 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)C1CCC1 ZINC001580413877 1020708381 /nfs/dbraw/zinc/70/83/81/1020708381.db2.gz CDGPCMVSFNUYHI-MRVPVSSYSA-N -1 0 302.342 -0.205 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CC1(F)F ZINC001580414170 1020708673 /nfs/dbraw/zinc/70/86/73/1020708673.db2.gz OTWCCSKJGSVBOP-RQJHMYQMSA-N -1 0 324.295 -0.350 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC=CC1 ZINC001580407759 1020708820 /nfs/dbraw/zinc/70/88/20/1020708820.db2.gz XJXWRWPBGVSFCK-MRVPVSSYSA-N -1 0 321.337 -0.126 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C(C)(C)C ZINC001508978637 1020713526 /nfs/dbraw/zinc/71/35/26/1020713526.db2.gz FMGAKYWLHHLHGU-SSDOTTSWSA-N -1 0 311.342 -0.094 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C(F)F ZINC001508980464 1020713730 /nfs/dbraw/zinc/71/37/30/1020713730.db2.gz MHTXWYIGFOLRSG-BYPYZUCNSA-N -1 0 305.241 -0.875 20 0 DBADRM CC[C@@H](C)C(=O)N(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001508979648 1020714913 /nfs/dbraw/zinc/71/49/13/1020714913.db2.gz IORJJUCCWNLGBQ-SFYZADRCSA-N -1 0 311.342 -0.094 20 0 DBADRM C[C@H]1CCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001580444005 1020716336 /nfs/dbraw/zinc/71/63/36/1020716336.db2.gz VBCCDRWETYWDGV-QMMMGPOBSA-N -1 0 305.342 -0.500 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)C1(C)CC1 ZINC001508994286 1020718256 /nfs/dbraw/zinc/71/82/56/1020718256.db2.gz ITCPCSOWIDWRDP-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC001580461776 1020724066 /nfs/dbraw/zinc/72/40/66/1020724066.db2.gz IQXJOFCSLXOBBS-LURJTMIESA-N -1 0 316.329 -0.108 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001580601291 1020763617 /nfs/dbraw/zinc/76/36/17/1020763617.db2.gz USNQUFSHYCYLHJ-MYJAWHEDSA-N -1 0 316.321 -0.414 20 0 DBADRM CC(=O)N1CC([C@H](C)NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001509458946 1020791992 /nfs/dbraw/zinc/79/19/92/1020791992.db2.gz LQNQMLLECDHQSS-ZETCQYMHSA-N -1 0 309.326 -0.802 20 0 DBADRM CC(=O)N1CC([C@@H](C)NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001509481038 1020794118 /nfs/dbraw/zinc/79/41/18/1020794118.db2.gz NRYCTCGHOOLXNV-MRVPVSSYSA-N -1 0 318.337 -0.946 20 0 DBADRM Cc1ccnc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)n1 ZINC001581279307 1020831273 /nfs/dbraw/zinc/83/12/73/1020831273.db2.gz RUMVQLKWSTVBCR-UHFFFAOYSA-N -1 0 315.297 -0.623 20 0 DBADRM Cc1nc([C@@H](C)NC(=O)Cn2cnc(-c3nnn[n-]3)n2)no1 ZINC001581436507 1020834382 /nfs/dbraw/zinc/83/43/82/1020834382.db2.gz AUVTVEQDTADTKA-RXMQYKEDSA-N -1 0 304.274 -0.973 20 0 DBADRM Cc1nc(C(=O)[N-]n2ccc(=O)[nH]c2=O)ccc1-c1nn[nH]n1 ZINC001581437401 1020835669 /nfs/dbraw/zinc/83/56/69/1020835669.db2.gz YOLQYWUZELXNFM-UHFFFAOYSA-N -1 0 314.265 -0.784 20 0 DBADRM Cc1nccnc1N(C)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001581566255 1020838967 /nfs/dbraw/zinc/83/89/67/1020838967.db2.gz RIEYYKQGUNFVTH-QMMMGPOBSA-N -1 0 314.313 -0.219 20 0 DBADRM Cc1nnc([C@@H](C)Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)o1 ZINC001581607128 1020840944 /nfs/dbraw/zinc/84/09/44/1020840944.db2.gz XZSPDWCLQRXCOU-SCSAIBSYSA-N -1 0 319.285 -0.469 20 0 DBADRM Cn1c(=O)[nH]c(NCc2cccnn2)c(-c2nnn[n-]2)c1=O ZINC001581747267 1020842647 /nfs/dbraw/zinc/84/26/47/1020842647.db2.gz FVYNGMVZLOPPCX-UHFFFAOYSA-N -1 0 301.270 -0.932 20 0 DBADRM Cn1c(=O)[nH]c(SCc2ccncc2)c(-c2nnn[n-]2)c1=O ZINC001581748502 1020844544 /nfs/dbraw/zinc/84/45/44/1020844544.db2.gz FPVHVMFSSRGQBT-UHFFFAOYSA-N -1 0 317.334 -0.059 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1ccc(-c2nn[nH]n2)c(Cl)n1 ZINC001581849430 1020851235 /nfs/dbraw/zinc/85/12/35/1020851235.db2.gz PALZTQNKTTZODT-UHFFFAOYSA-N -1 0 306.677 -0.887 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001581900779 1020857680 /nfs/dbraw/zinc/85/76/80/1020857680.db2.gz WEHGRXSQHPXXFH-IONNQARKSA-N -1 0 316.321 -0.044 20 0 DBADRM NC(=O)c1ccc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)cc1 ZINC001581904480 1020858542 /nfs/dbraw/zinc/85/85/42/1020858542.db2.gz GWLNCMMIWYMRJF-UHFFFAOYSA-N -1 0 313.277 -0.724 20 0 DBADRM NC(=O)c1ccc(CC(=O)Nc2c[nH]nc2-c2nnn[n-]2)cn1 ZINC001581904612 1020858869 /nfs/dbraw/zinc/85/88/69/1020858869.db2.gz OPOSNJKLSRPGFL-UHFFFAOYSA-N -1 0 313.281 -0.735 20 0 DBADRM O=C(CC1CC1)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001581968162 1020864480 /nfs/dbraw/zinc/86/44/80/1020864480.db2.gz RYVSBVMQAOEPBB-JTQLQIEISA-N -1 0 314.353 -0.109 20 0 DBADRM CCC(=CC(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)CC ZINC001581973603 1020865773 /nfs/dbraw/zinc/86/57/73/1020865773.db2.gz ZJWDIJUHSOOALK-UHFFFAOYSA-N -1 0 321.337 -0.030 20 0 DBADRM O=C(CCCC(=O)C1CC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001582035701 1020870714 /nfs/dbraw/zinc/87/07/14/1020870714.db2.gz HRXATOSREBHWFB-UHFFFAOYSA-N -1 0 318.341 -0.276 20 0 DBADRM C[C@H](CN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC1 ZINC001510646788 1020873228 /nfs/dbraw/zinc/87/32/28/1020873228.db2.gz COGDNPBAFGPWRK-MRVPVSSYSA-N -1 0 323.353 -0.412 20 0 DBADRM O=C(CCc1nnn[n-]1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001582079675 1020874691 /nfs/dbraw/zinc/87/46/91/1020874691.db2.gz ONVTUIJGNXEJNM-UHFFFAOYSA-N -1 0 317.288 -0.232 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)N1C[C@H](O)[C@@H](CO)C1 ZINC001582130335 1020878527 /nfs/dbraw/zinc/87/85/27/1020878527.db2.gz SGRVZKBQUSZAOQ-KOLCDFICSA-N -1 0 319.321 -0.943 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)NCc1ccc(-c2nn[nH]n2)cn1 ZINC001582132315 1020879022 /nfs/dbraw/zinc/87/90/22/1020879022.db2.gz BJLYVBCMQCETRQ-UHFFFAOYSA-N -1 0 322.350 -0.545 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)N1CC(CO)(CO)C1 ZINC001582129060 1020879077 /nfs/dbraw/zinc/87/90/77/1020879077.db2.gz QXUTUIAQPAJRNY-UHFFFAOYSA-N -1 0 319.321 -0.941 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)N1C[C@H](O)[C@@H](CO)C1 ZINC001582129169 1020879168 /nfs/dbraw/zinc/87/91/68/1020879168.db2.gz WCJRQWXXMIGSMX-PWSUYJOCSA-N -1 0 319.321 -0.943 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cc(F)cc(-c2nn[nH]n2)c1 ZINC001582185315 1020883902 /nfs/dbraw/zinc/88/39/02/1020883902.db2.gz GFHILGPIFZLCIX-UHFFFAOYSA-N -1 0 320.244 -0.353 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N[C@H]1CC12CCC2 ZINC001582186749 1020884105 /nfs/dbraw/zinc/88/41/05/1020884105.db2.gz XGVNFHNEBCBESO-QMMMGPOBSA-N -1 0 317.309 -0.812 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)cc1=O)NCc1ccccc1 ZINC001582197913 1020885296 /nfs/dbraw/zinc/88/52/96/1020885296.db2.gz DXZDMIUJEUBLSF-UHFFFAOYSA-N -1 0 311.305 -0.260 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC1(CF)CCOCC1 ZINC001582199656 1020885365 /nfs/dbraw/zinc/88/53/65/1020885365.db2.gz UIRGIPQAJCLABW-UHFFFAOYSA-N -1 0 324.320 -0.659 20 0 DBADRM C/C=C(\C)C(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001582221135 1020885899 /nfs/dbraw/zinc/88/58/99/1020885899.db2.gz BABRHOUFSDIQAK-FPYGCLRLSA-N -1 0 309.326 -0.770 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1cc(-c2nn[nH]n2)ccc1F ZINC001582654876 1020915908 /nfs/dbraw/zinc/91/59/08/1020915908.db2.gz POLLEZFNYBPEAO-UHFFFAOYSA-N -1 0 317.240 -0.348 20 0 DBADRM O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC(c2nnn[n-]2)CC1 ZINC001582668589 1020917998 /nfs/dbraw/zinc/91/79/98/1020917998.db2.gz FQXUJONUGHBHOV-UHFFFAOYSA-N -1 0 314.313 -0.272 20 0 DBADRM O=S(=O)(N[C@@H]1CCC[C@@H]1CO)c1cccnc1-c1nnn[n-]1 ZINC001582798028 1020925522 /nfs/dbraw/zinc/92/55/22/1020925522.db2.gz STYIMMVZBWDJKI-RKDXNWHRSA-N -1 0 324.366 -0.299 20 0 DBADRM O=c1c(-c2nnn[n-]2)cn(CCO)c(=O)n1Cc1ccccc1 ZINC001582806655 1020927405 /nfs/dbraw/zinc/92/74/05/1020927405.db2.gz TUEHBZYGGHQXCZ-UHFFFAOYSA-N -1 0 314.305 -0.769 20 0 DBADRM CO[C@H](C)CC(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001510902414 1020936715 /nfs/dbraw/zinc/93/67/15/1020936715.db2.gz BWHZTRVBBRKGLK-VXNVDRBHSA-N -1 0 314.342 -0.944 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)C(C)(F)F)c1[O-] ZINC001510904004 1020938177 /nfs/dbraw/zinc/93/81/77/1020938177.db2.gz IDTYBNSUUWGFNW-LURJTMIESA-N -1 0 306.269 -0.714 20 0 DBADRM Cc1sccc1CC(=O)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001510928400 1020951118 /nfs/dbraw/zinc/95/11/18/1020951118.db2.gz CTWURWCZNRNEHS-JTQLQIEISA-N -1 0 323.378 -0.376 20 0 DBADRM CC(C)(F)C(=O)NC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001583016040 1020962544 /nfs/dbraw/zinc/96/25/44/1020962544.db2.gz QIYRIWCSPBVJDG-ONEGZZNKSA-N -1 0 315.305 -0.774 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001511182751 1021027028 /nfs/dbraw/zinc/02/70/28/1021027028.db2.gz APDPJNYUUTVJDY-AOZRHXBJSA-N -1 0 321.337 -0.032 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001511272050 1021036911 /nfs/dbraw/zinc/03/69/11/1021036911.db2.gz BVMGSRCTUZTABZ-GNKRQNHBSA-N -1 0 323.353 -0.239 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CC[C@@H](NC(=O)C2CC2)C1 ZINC001511448247 1021050185 /nfs/dbraw/zinc/05/01/85/1021050185.db2.gz MCLFFMKIGPEYDK-PSASIEDQSA-N -1 0 323.353 -0.500 20 0 DBADRM COCCC(=O)NC[C@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001511513632 1021076197 /nfs/dbraw/zinc/07/61/97/1021076197.db2.gz LJVVFIOGWRWZSM-VIFPVBQESA-N -1 0 314.342 -0.991 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c1[O-] ZINC001586843937 1021081019 /nfs/dbraw/zinc/08/10/19/1021081019.db2.gz TZZKVFMNDCIPAO-CPFSXVBKSA-N -1 0 307.310 -0.468 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)CCCC(=O)[O-])CC1 ZINC001588495826 1021106412 /nfs/dbraw/zinc/10/64/12/1021106412.db2.gz UURQOBQPENZYFR-UHFFFAOYSA-N -1 0 300.311 -0.525 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H](C)[C@H]1CCC(=O)N1)[C@H](C)C(=O)[O-] ZINC001588501369 1021106652 /nfs/dbraw/zinc/10/66/52/1021106652.db2.gz DOOCKMGLNAKZLS-FXPVBKGRSA-N -1 0 313.354 -0.661 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC001588496649 1021107064 /nfs/dbraw/zinc/10/70/64/1021107064.db2.gz NBYPLZJZQAGLMG-LLVKDONJSA-N -1 0 313.354 -0.212 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)C2(C(=O)[O-])CCOCC2)CCO1 ZINC001588502082 1021107141 /nfs/dbraw/zinc/10/71/41/1021107141.db2.gz MQTRRAXLRODLPS-NSHDSACASA-N -1 0 314.338 -0.769 20 0 DBADRM CC(=O)N1CC[C@@H](CNC(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001588495006 1021107606 /nfs/dbraw/zinc/10/76/06/1021107606.db2.gz UOZPSYZISHPGAA-NSHDSACASA-N -1 0 321.333 -0.469 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCCc2nn[nH]c21)[C@H](C)C(=O)[O-] ZINC001588506713 1021108245 /nfs/dbraw/zinc/10/82/45/1021108245.db2.gz NYWLKONLNAMCOY-PSASIEDQSA-N -1 0 323.353 -0.338 20 0 DBADRM CC(=O)NCCN(C(=O)CS(=O)(=O)C1CC1)[C@@H](C)C(=O)[O-] ZINC001588507560 1021108314 /nfs/dbraw/zinc/10/83/14/1021108314.db2.gz KHSFWCLGTBIFJU-QMMMGPOBSA-N -1 0 320.367 -0.999 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCNC(=O)CC1)[C@@H](C)C(=O)[O-] ZINC001588506108 1021108645 /nfs/dbraw/zinc/10/86/45/1021108645.db2.gz DAMWMWKTGAZVMD-GXSJLCMTSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001588502562 1021109049 /nfs/dbraw/zinc/10/90/49/1021109049.db2.gz VHHCMPDBFYDBDX-GMTAPVOTSA-N -1 0 311.338 -0.907 20 0 DBADRM CC(=O)NCCN(C(=O)c1csc(=O)[nH]1)[C@H](C)C(=O)[O-] ZINC001588508823 1021109098 /nfs/dbraw/zinc/10/90/98/1021109098.db2.gz SMSDCKLZTDEELX-ZCFIWIBFSA-N -1 0 301.324 -0.100 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCCn2ncnc21)[C@@H](C)C(=O)[O-] ZINC001588506974 1021109281 /nfs/dbraw/zinc/10/92/81/1021109281.db2.gz XMRGTJGSTOWKNU-ONGXEEELSA-N -1 0 323.353 -0.407 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001588515229 1021111759 /nfs/dbraw/zinc/11/17/59/1021111759.db2.gz ZODASUHEWFFUMR-MNOVXSKESA-N -1 0 313.354 -0.612 20 0 DBADRM CC(=O)c1cn(CC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])nn1 ZINC001588534388 1021112453 /nfs/dbraw/zinc/11/24/53/1021112453.db2.gz ZOSPJGIWFAJTHV-LLVKDONJSA-N -1 0 317.305 -0.312 20 0 DBADRM CC(=O)c1cccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001588534770 1021112745 /nfs/dbraw/zinc/11/27/45/1021112745.db2.gz SYZGDALDYJVEEG-CQSZACIVSA-N -1 0 308.290 -0.221 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])c1ccccn1 ZINC001588550966 1021115003 /nfs/dbraw/zinc/11/50/03/1021115003.db2.gz KBXBHKLHCVSNAT-GXSJLCMTSA-N -1 0 312.347 -0.105 20 0 DBADRM C[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1CCOCC1 ZINC001588558141 1021115092 /nfs/dbraw/zinc/11/50/92/1021115092.db2.gz SHAWIFHYLVRFGP-BBBLOLIVSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)N1C(=O)CCC1=O ZINC001588550722 1021115458 /nfs/dbraw/zinc/11/54/58/1021115458.db2.gz DQIJYSGZEYUMFS-RFXMVYNHSA-N -1 0 310.306 -0.917 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])c1ccccn1 ZINC001588550967 1021115642 /nfs/dbraw/zinc/11/56/42/1021115642.db2.gz KBXBHKLHCVSNAT-KOLCDFICSA-N -1 0 312.347 -0.105 20 0 DBADRM C[C@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)n1nnnc1C(C)(C)C ZINC001588550705 1021116108 /nfs/dbraw/zinc/11/61/08/1021116108.db2.gz BUYABQIOXFDSCT-BDAKNGLRSA-N -1 0 311.342 -0.156 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)n1cncn1 ZINC001588554662 1021116156 /nfs/dbraw/zinc/11/61/56/1021116156.db2.gz TWANUJCBFUYXBV-VHSXEESVSA-N -1 0 309.326 -0.579 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N(C)CCCn1cnc2c1ncnc2N ZINC001588563395 1021116670 /nfs/dbraw/zinc/11/66/70/1021116670.db2.gz ROSRFGPYUBBVKI-MRVPVSSYSA-N -1 0 306.326 -0.022 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NCCNS(=O)(=O)c1cccs1 ZINC001588572908 1021117055 /nfs/dbraw/zinc/11/70/55/1021117055.db2.gz TZOWXZVKNQCNNE-ZETCQYMHSA-N -1 0 306.365 -0.137 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001588569117 1021117343 /nfs/dbraw/zinc/11/73/43/1021117343.db2.gz BKKSGEIIALHIHQ-JTQLQIEISA-N -1 0 321.333 -0.744 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001588565701 1021117940 /nfs/dbraw/zinc/11/79/40/1021117940.db2.gz WQIRHLKBJLOTRN-VIFPVBQESA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@@H](C(=O)[O-])N(C1CC1)S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001588590869 1021118605 /nfs/dbraw/zinc/11/86/05/1021118605.db2.gz BBMONZFATVOUOE-GXSJLCMTSA-N -1 0 306.384 -0.416 20 0 DBADRM C[C@H](C(=O)[O-])N(C1CC1)S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001588592964 1021119720 /nfs/dbraw/zinc/11/97/20/1021119720.db2.gz RIPQCTAVZQYZJU-ZCFIWIBFSA-N -1 0 317.323 -0.888 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001588611170 1021120549 /nfs/dbraw/zinc/12/05/49/1021120549.db2.gz LDZJARNBVCBZCE-ZANVPECISA-N -1 0 319.379 -0.050 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@@H](CO)CN1CCOCC1 ZINC001588634396 1021121335 /nfs/dbraw/zinc/12/13/35/1021121335.db2.gz BIGNDXXZYRGJCX-GHMZBOCLSA-N -1 0 302.371 -0.457 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCC(NS(N)(=O)=O)CC1 ZINC001588631302 1021121810 /nfs/dbraw/zinc/12/18/10/1021121810.db2.gz JQUAARYOUYSRQO-SECBINFHSA-N -1 0 321.399 -0.483 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCCc1nnc2c(=O)[nH]ccn12 ZINC001588633708 1021122146 /nfs/dbraw/zinc/12/21/46/1021122146.db2.gz AJGXZBOBRHLACQ-SECBINFHSA-N -1 0 321.337 -0.177 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001588633990 1021122471 /nfs/dbraw/zinc/12/24/71/1021122471.db2.gz GSXMEXSFUYZCIV-QMMMGPOBSA-N -1 0 307.310 -0.219 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCCc1nnc2n1CCNC2=O ZINC001588634851 1021122523 /nfs/dbraw/zinc/12/25/23/1021122523.db2.gz SBUSHEMBHYKUQS-VIFPVBQESA-N -1 0 323.353 -0.573 20 0 DBADRM CC(C)(C)N1C[C@H](CNC(=O)c2cn(CC(=O)[O-])nn2)CC1=O ZINC001588660000 1021123185 /nfs/dbraw/zinc/12/31/85/1021123185.db2.gz VOAXRGNAANQVPW-VIFPVBQESA-N -1 0 323.353 -0.261 20 0 DBADRM C=CC(=O)NCCC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001588656366 1021123243 /nfs/dbraw/zinc/12/32/43/1021123243.db2.gz LNIGLSVMSHKPFO-UHFFFAOYSA-N -1 0 321.337 -0.168 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001588651783 1021123278 /nfs/dbraw/zinc/12/32/78/1021123278.db2.gz WXMHPNYCVBKLRH-UWVGGRQHSA-N -1 0 312.322 -0.504 20 0 DBADRM C=CC(=O)N(CC)CC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001588654731 1021123429 /nfs/dbraw/zinc/12/34/29/1021123429.db2.gz JVDQYIMSKAJUNA-AWEZNQCLSA-N -1 0 308.338 -0.123 20 0 DBADRM CC(C)(C)N1CC[C@@H](NC(=O)NCCOCC(=O)[O-])C1=O ZINC001588660143 1021124056 /nfs/dbraw/zinc/12/40/56/1021124056.db2.gz XBPKPWCORVIATF-SECBINFHSA-N -1 0 301.343 -0.214 20 0 DBADRM C=CC(=O)NCCC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001588656727 1021124096 /nfs/dbraw/zinc/12/40/96/1021124096.db2.gz YUVCRYKPGKGISV-VIFPVBQESA-N -1 0 307.310 -0.558 20 0 DBADRM C=CC(=O)N(C)CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001588654443 1021124593 /nfs/dbraw/zinc/12/45/93/1021124593.db2.gz GJTGPLWKBFJSKQ-JTQLQIEISA-N -1 0 313.354 -0.638 20 0 DBADRM CC(C)(C)CN(CCO)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001588658154 1021125013 /nfs/dbraw/zinc/12/50/13/1021125013.db2.gz YYAYFSHHOMDBII-SNVBAGLBSA-N -1 0 300.355 -0.214 20 0 DBADRM CC(C)(C)OC(=O)C(=O)NC1CCC(NC(=O)C(=O)[O-])CC1 ZINC001588670388 1021126669 /nfs/dbraw/zinc/12/66/69/1021126669.db2.gz URYGHOSGCPCTBQ-UHFFFAOYSA-N -1 0 314.338 -0.044 20 0 DBADRM CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001588669879 1021126794 /nfs/dbraw/zinc/12/67/94/1021126794.db2.gz ONRKYKISNUTEMZ-CYBMUJFWSA-N -1 0 313.310 -0.070 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NCC(=O)[O-])=NO1 ZINC001588714960 1021128812 /nfs/dbraw/zinc/12/88/12/1021128812.db2.gz MVBIKTCRILNRLI-ZETCQYMHSA-N -1 0 301.299 -0.143 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001588725693 1021129171 /nfs/dbraw/zinc/12/91/71/1021129171.db2.gz PDVUUAAYRCPWFS-OQPBUACISA-N -1 0 318.326 -0.768 20 0 DBADRM O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001588776477 1021131444 /nfs/dbraw/zinc/13/14/44/1021131444.db2.gz ZSEXKXYXAQOZLO-UWTATZPHSA-N -1 0 318.158 -0.429 20 0 DBADRM CC(C)(O)C(C)(C)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001588795528 1021132870 /nfs/dbraw/zinc/13/28/70/1021132870.db2.gz CJUJYWWOSXULPG-VIFPVBQESA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(NC(=O)c1cccn(CC(=O)[O-])c1=O)c1cn[nH]n1 ZINC001588790634 1021133133 /nfs/dbraw/zinc/13/31/33/1021133133.db2.gz MSUVVOHRPZGMMA-UHFFFAOYSA-N -1 0 305.294 -0.284 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)OCC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001588812657 1021134242 /nfs/dbraw/zinc/13/42/42/1021134242.db2.gz GZRXXOFVPXDAKO-WCBMZHEXSA-N -1 0 306.336 -0.110 20 0 DBADRM CC(=O)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001588813277 1021134816 /nfs/dbraw/zinc/13/48/16/1021134816.db2.gz VOFDJHWLVNDSEK-WPRPVWTQSA-N -1 0 302.342 -0.110 20 0 DBADRM CC(C)[C@](C)(O)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588813536 1021135327 /nfs/dbraw/zinc/13/53/27/1021135327.db2.gz XUEHOWOPMNSHTJ-YGRLFVJLSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)[C@](C)(O)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588813531 1021135533 /nfs/dbraw/zinc/13/55/33/1021135533.db2.gz XUEHOWOPMNSHTJ-HZMBPMFUSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)[C@H](CNC(=O)C(F)(F)C(=O)N1CCOCC1)C(=O)[O-] ZINC001588817134 1021137279 /nfs/dbraw/zinc/13/72/79/1021137279.db2.gz WROFAWURMZQVJV-VIFPVBQESA-N -1 0 322.308 -0.047 20 0 DBADRM CC(C)[C@@H](O)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001588835017 1021139081 /nfs/dbraw/zinc/13/90/81/1021139081.db2.gz AMQSNBFHQGOPHV-VIFPVBQESA-N -1 0 307.368 -0.601 20 0 DBADRM CC(C)[C@@H](CNC(=O)NC[C@@]1(O)CCS(=O)(=O)C1)C(=O)[O-] ZINC001588824810 1021139196 /nfs/dbraw/zinc/13/91/96/1021139196.db2.gz DXVDMXBZJRLVTE-SKDRFNHKSA-N -1 0 322.383 -0.808 20 0 DBADRM CC(C)CCOCCNC(=O)CN[C@@]1(C(=O)[O-])CCOC1 ZINC001588867993 1021146245 /nfs/dbraw/zinc/14/62/45/1021146245.db2.gz PBHQMJVGFJXYKN-AWEZNQCLSA-N -1 0 302.371 -0.001 20 0 DBADRM CC(C)CNC(=O)[C@@H]1CSCN1C(=O)COCC(=O)[O-] ZINC001588876661 1021147001 /nfs/dbraw/zinc/14/70/01/1021147001.db2.gz ZAYPPLKQKWVISF-VIFPVBQESA-N -1 0 304.368 -0.239 20 0 DBADRM CC(C)CNC(=O)CCCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001588876287 1021147215 /nfs/dbraw/zinc/14/72/15/1021147215.db2.gz SFEDKOMFYZQLKN-LLVKDONJSA-N -1 0 320.411 -0.278 20 0 DBADRM CC(C)CNC(=O)CCCN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001588876288 1021147670 /nfs/dbraw/zinc/14/76/70/1021147670.db2.gz SFEDKOMFYZQLKN-NSHDSACASA-N -1 0 320.411 -0.278 20 0 DBADRM CC(C)N(C[C@H](O)CO)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001588918708 1021149752 /nfs/dbraw/zinc/14/97/52/1021149752.db2.gz BWQWGZBLBIBJQW-NSHDSACASA-N -1 0 318.370 -0.359 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)[C@H]1CCN(CC(=O)[O-])C1=O ZINC001588920588 1021150195 /nfs/dbraw/zinc/15/01/95/1021150195.db2.gz NBGFRCJQZNGGLX-JTQLQIEISA-N -1 0 306.384 -0.573 20 0 DBADRM CC(C)C[C@H](CO)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001588898631 1021150710 /nfs/dbraw/zinc/15/07/10/1021150710.db2.gz NRISQYIAFGIYBS-MNOVXSKESA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001588920589 1021151495 /nfs/dbraw/zinc/15/14/95/1021151495.db2.gz NBGFRCJQZNGGLX-SNVBAGLBSA-N -1 0 306.384 -0.573 20 0 DBADRM CC(C)N(C[C@@H](O)CO)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001588918707 1021151526 /nfs/dbraw/zinc/15/15/26/1021151526.db2.gz BWQWGZBLBIBJQW-LLVKDONJSA-N -1 0 318.370 -0.359 20 0 DBADRM CC(C)NC(=O)CNC(=S)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001588925595 1021153270 /nfs/dbraw/zinc/15/32/70/1021153270.db2.gz SNADAWOJVKWNDG-NOZJJQNGSA-N -1 0 315.395 -0.582 20 0 DBADRM CC(C)N1CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001588922600 1021154898 /nfs/dbraw/zinc/15/48/98/1021154898.db2.gz SWINPYDCVCZPJQ-UHFFFAOYSA-N -1 0 323.353 -0.541 20 0 DBADRM CC(C)OC(=O)COC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001588927868 1021154986 /nfs/dbraw/zinc/15/49/86/1021154986.db2.gz ICPPVEBZNFSSOJ-SECBINFHSA-N -1 0 301.295 -0.196 20 0 DBADRM CC(C)OC[C@H](CO)N(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001588933336 1021155528 /nfs/dbraw/zinc/15/55/28/1021155528.db2.gz LRQCLNOACXUXTJ-QWRGUYRKSA-N -1 0 324.399 -0.502 20 0 DBADRM C[C@H](C(=O)N(C)Cc1ncc[nH]1)n1cnc(-c2nnn[n-]2)n1 ZINC001588943554 1021155615 /nfs/dbraw/zinc/15/56/15/1021155615.db2.gz SRZCVUISBKJYLI-SSDOTTSWSA-N -1 0 302.302 -0.599 20 0 DBADRM C[C@H](C(=O)N(C)CC(C)(C)CO)n1cnc(-c2nnn[n-]2)n1 ZINC001588936073 1021156059 /nfs/dbraw/zinc/15/60/59/1021156059.db2.gz IFWSUMQGXIQBCY-MRVPVSSYSA-N -1 0 308.346 -0.504 20 0 DBADRM C/C(=C\C(=O)N1CCC(O)(C(=O)[O-])CC1)CN1CCOCC1 ZINC001588937832 1021156192 /nfs/dbraw/zinc/15/61/92/1021156192.db2.gz UWNGUNKWPKOIIP-ZRDIBKRKSA-N -1 0 312.366 -0.297 20 0 DBADRM C[C@H](C(=O)N(C)[C@H]1CCSC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588936762 1021157408 /nfs/dbraw/zinc/15/74/08/1021157408.db2.gz RTMNLCKAXOVOQK-SFYZADRCSA-N -1 0 308.371 -0.017 20 0 DBADRM C/C(=C\C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])CN1CCOCC1 ZINC001588942435 1021159575 /nfs/dbraw/zinc/15/95/75/1021159575.db2.gz KLDQCBMXNUBPFV-MNFCOICASA-N -1 0 312.366 -0.129 20 0 DBADRM C/C(=C\C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-])C1CC1 ZINC001588940082 1021160225 /nfs/dbraw/zinc/16/02/25/1021160225.db2.gz XQIRCRQXUAKHLW-CVNLZQRZSA-N -1 0 321.333 -0.051 20 0 DBADRM C[C@@H](C(=O)N1CCCC[C@H]1CCO)n1cnc(-c2nnn[n-]2)n1 ZINC001588957012 1021161651 /nfs/dbraw/zinc/16/16/51/1021161651.db2.gz OAMRPHDIKMUEAG-UWVGGRQHSA-N -1 0 320.357 -0.217 20 0 DBADRM C[C@@H](C(=O)N1CC[C@H](C(C)(C)O)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588949505 1021162541 /nfs/dbraw/zinc/16/25/41/1021162541.db2.gz WPLGJEBLVPXSQI-IUCAKERBSA-N -1 0 320.357 -0.361 20 0 DBADRM C[C@@H](C(=O)N1CCOCC2(CC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588959664 1021163878 /nfs/dbraw/zinc/16/38/78/1021163878.db2.gz GULNGENBFUDORQ-VIFPVBQESA-N -1 0 318.341 -0.342 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](CO)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588954899 1021165165 /nfs/dbraw/zinc/16/51/65/1021165165.db2.gz QODXKVJYTSHKED-BDAKNGLRSA-N -1 0 306.330 -0.750 20 0 DBADRM C[C@@H](C(=O)N1CC2(C1)CCOCC2)n1cnc(-c2nnn[n-]2)n1 ZINC001588949071 1021165231 /nfs/dbraw/zinc/16/52/31/1021165231.db2.gz RORABXNXQJKTJO-VIFPVBQESA-N -1 0 318.341 -0.342 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H](C(C)(C)O)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588949503 1021165428 /nfs/dbraw/zinc/16/54/28/1021165428.db2.gz WPLGJEBLVPXSQI-DTWKUNHWSA-N -1 0 320.357 -0.361 20 0 DBADRM CCC(=O)NC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@H]1C ZINC001512174750 1021166024 /nfs/dbraw/zinc/16/60/24/1021166024.db2.gz ULLCEZYIUXNLME-BDAKNGLRSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CC12CC(O)C2)n1cnc(-c2nnn[n-]2)n1 ZINC001588973667 1021166178 /nfs/dbraw/zinc/16/61/78/1021166178.db2.gz UZVABVMQTWYJDR-PUKRMFSBSA-N -1 0 304.314 -0.951 20 0 DBADRM C[C@H](C(=O)N[C@]12C[C@H]1COC2(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588971023 1021166290 /nfs/dbraw/zinc/16/62/90/1021166290.db2.gz SQHXDNQVENXQJK-BFHDXFOESA-N -1 0 318.341 -0.297 20 0 DBADRM C[C@H](C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588965934 1021166629 /nfs/dbraw/zinc/16/66/29/1021166629.db2.gz POXICKDGDKADCF-RGOKHQFPSA-N -1 0 318.341 -0.752 20 0 DBADRM CC(C)c1ccnc(N2CCN(CC(=O)NCC(=O)[O-])CC2)n1 ZINC001588972933 1021167142 /nfs/dbraw/zinc/16/71/42/1021167142.db2.gz GIYDOWYEQNRMKL-UHFFFAOYSA-N -1 0 321.381 -0.077 20 0 DBADRM CC(C)c1nnc(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)[nH]1 ZINC001588976587 1021168487 /nfs/dbraw/zinc/16/84/87/1021168487.db2.gz IQQUWEZJEJAJKN-VIFPVBQESA-N -1 0 323.353 -0.133 20 0 DBADRM C[C@@H](C(=O)N[C@H](CCO)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588970991 1021168512 /nfs/dbraw/zinc/16/85/12/1021168512.db2.gz SIICQUNBSNKYPA-IONNQARKSA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@H](C(=O)N[C@H]1C[C@H](O)C1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588970184 1021170137 /nfs/dbraw/zinc/17/01/37/1021170137.db2.gz BURHXBVGEBUQMR-CSMHCCOUSA-N -1 0 306.330 -0.705 20 0 DBADRM CC(C)c1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])[nH]n1 ZINC001588963734 1021170464 /nfs/dbraw/zinc/17/04/64/1021170464.db2.gz FAYOSECRFWNLIE-SNVBAGLBSA-N -1 0 315.351 -0.143 20 0 DBADRM C[C@@H](C(=O)NC1CCC(=O)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588972681 1021171544 /nfs/dbraw/zinc/17/15/44/1021171544.db2.gz LPZGPEGRHGKLCY-ZETCQYMHSA-N -1 0 304.314 -0.353 20 0 DBADRM C[C@@H](C(=O)NC[C@@H](O)C1CCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588978757 1021172386 /nfs/dbraw/zinc/17/23/86/1021172386.db2.gz LHTZPHIAKJBKJI-IONNQARKSA-N -1 0 306.330 -0.704 20 0 DBADRM CC(C)c1nnc2n1CCN(C(=O)C(=O)NCCC(=O)[O-])[C@H]2C ZINC001588981398 1021174216 /nfs/dbraw/zinc/17/42/16/1021174216.db2.gz NGSVBAAQYRSTAH-VIFPVBQESA-N -1 0 323.353 -0.104 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCC=CO1)n1cnc(-c2nnn[n-]2)n1 ZINC001588983912 1021174534 /nfs/dbraw/zinc/17/45/34/1021174534.db2.gz SVFGVZAVTXEFNI-RKDXNWHRSA-N -1 0 304.314 -0.172 20 0 DBADRM C/C(=C/COC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001588992263 1021175522 /nfs/dbraw/zinc/17/55/22/1021175522.db2.gz UOPKIUPWCHVCBO-CLTKARDFSA-N -1 0 300.292 -0.083 20 0 DBADRM C[C@@H](C(=O)NCCc1cn[nH]c1)n1cnc(-c2nnn[n-]2)n1 ZINC001588996105 1021178241 /nfs/dbraw/zinc/17/82/41/1021178241.db2.gz HDTUJMZZZNODKB-ZETCQYMHSA-N -1 0 302.302 -0.899 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001588997350 1021178747 /nfs/dbraw/zinc/17/87/47/1021178747.db2.gz BLRWUBOQCWCYLW-WCBMZHEXSA-N -1 0 309.326 -0.312 20 0 DBADRM CC(=O)N1CCO[C@@H](C(=O)N[C@]2(C(=O)[O-])CCSC2)C1 ZINC001589086629 1021191013 /nfs/dbraw/zinc/19/10/13/1021191013.db2.gz CPRJOIWZAQAUKD-BXKDBHETSA-N -1 0 302.352 -0.690 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1O)n1cnc(-c2nnn[n-]2)n1 ZINC001589002874 1021179024 /nfs/dbraw/zinc/17/90/24/1021179024.db2.gz FGUJAHCCXYBCOO-IWSPIJDZSA-N -1 0 306.330 -0.561 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC001588994488 1021179277 /nfs/dbraw/zinc/17/92/77/1021179277.db2.gz RUQCHHUHNDJACZ-MRVPVSSYSA-N -1 0 323.305 -0.531 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC001588997662 1021179671 /nfs/dbraw/zinc/17/96/71/1021179671.db2.gz DXWFPPQYXOPKRL-KXUCPTDWSA-N -1 0 301.343 -0.215 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001588996926 1021179833 /nfs/dbraw/zinc/17/98/33/1021179833.db2.gz OQYJWOWDDCKIIK-KXUCPTDWSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@H](C(=O)OCC(=O)C1(C)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001589026316 1021182183 /nfs/dbraw/zinc/18/21/83/1021182183.db2.gz IRPYJAFOWCKYSA-SSDOTTSWSA-N -1 0 305.298 -0.068 20 0 DBADRM C[C@H](C(=O)OCCC(=O)N(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001589025685 1021184744 /nfs/dbraw/zinc/18/47/44/1021184744.db2.gz BBZPOWGPLUTPLI-SSDOTTSWSA-N -1 0 308.302 -0.959 20 0 DBADRM C[C@@H](C(=O)OCCN1CCCC1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001589030890 1021186109 /nfs/dbraw/zinc/18/61/09/1021186109.db2.gz QRZSEJRDBJKKFP-QMMMGPOBSA-N -1 0 320.313 -0.815 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC001589061340 1021186279 /nfs/dbraw/zinc/18/62/79/1021186279.db2.gz YHIPWDPBQDNYKK-SMDDNHRTSA-N -1 0 308.338 -0.220 20 0 DBADRM C[C@@H](C(=O)OCc1cncn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001589033511 1021186989 /nfs/dbraw/zinc/18/69/89/1021186989.db2.gz YPLZSUKKEXPNEF-ZETCQYMHSA-N -1 0 303.286 -0.504 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])C1 ZINC001589060908 1021187030 /nfs/dbraw/zinc/18/70/30/1021187030.db2.gz BRGFIISCOMXCPY-MFKMUULPSA-N -1 0 309.326 -0.894 20 0 DBADRM CC(=O)N1CCC(CNC(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC001589063478 1021188239 /nfs/dbraw/zinc/18/82/39/1021188239.db2.gz QOVXUZDEAQJXKL-UHFFFAOYSA-N -1 0 309.326 -0.649 20 0 DBADRM CC(=O)N1CCC(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC001589065592 1021190264 /nfs/dbraw/zinc/19/02/64/1021190264.db2.gz XGDFLPBBJAMLNC-GFCCVEGCSA-N -1 0 313.354 -0.118 20 0 DBADRM CC(=O)N1CCO[C@@H](C(=O)N(CC(=O)[O-])C2CCOCC2)C1 ZINC001589087114 1021191717 /nfs/dbraw/zinc/19/17/17/1021191717.db2.gz MXSWYNKNBRXPIS-GFCCVEGCSA-N -1 0 314.338 -0.674 20 0 DBADRM CC(=O)N1CCC(COC(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC001589065485 1021191758 /nfs/dbraw/zinc/19/17/58/1021191758.db2.gz WNPDHEYMNWVGFL-UHFFFAOYSA-N -1 0 310.310 -0.222 20 0 DBADRM CC(=O)N1CCCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001589072374 1021191910 /nfs/dbraw/zinc/19/19/10/1021191910.db2.gz AWJNFUGNNRNLBH-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM CC(=O)N1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001589072967 1021192029 /nfs/dbraw/zinc/19/20/29/1021192029.db2.gz UZJBQHCMOXMGQT-XYPYZODXSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)[C@H](C)C1 ZINC001589085570 1021192063 /nfs/dbraw/zinc/19/20/63/1021192063.db2.gz XMJBBMJYVQEFJF-SECBINFHSA-N -1 0 304.368 -0.266 20 0 DBADRM CC(=O)N1CCN(C(=O)CCNc2ncc(C(=O)[O-])cn2)CC1 ZINC001589079749 1021192130 /nfs/dbraw/zinc/19/21/30/1021192130.db2.gz LIIQNWIFXNAHPH-UHFFFAOYSA-N -1 0 321.337 -0.333 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N1CC(O)(C(=O)[O-])C1)c1ccccc1 ZINC001589107761 1021195386 /nfs/dbraw/zinc/19/53/86/1021195386.db2.gz SLQDAUWZVDCYKD-LBPRGKRZSA-N -1 0 306.318 -0.088 20 0 DBADRM CC(=O)NCC(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001589121068 1021195500 /nfs/dbraw/zinc/19/55/00/1021195500.db2.gz JGGKQKQNBHMERT-VXGBXAGGSA-N -1 0 323.349 -0.882 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001589105579 1021195782 /nfs/dbraw/zinc/19/57/82/1021195782.db2.gz OKYMTVSZVSVDQI-MRVPVSSYSA-N -1 0 309.326 -0.336 20 0 DBADRM CC(=O)NCC(=O)N1CC=C(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001589121067 1021196291 /nfs/dbraw/zinc/19/62/91/1021196291.db2.gz JGGKQKQNBHMERT-RYUDHWBXSA-N -1 0 323.349 -0.882 20 0 DBADRM CC(C)(C)[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001589105006 1021196430 /nfs/dbraw/zinc/19/64/30/1021196430.db2.gz MBSWLRJBLLJDAC-VIFPVBQESA-N -1 0 320.357 -0.268 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CCO1 ZINC001589133619 1021198297 /nfs/dbraw/zinc/19/82/97/1021198297.db2.gz YNYPISIRGJLEOP-NEPJUHHUSA-N -1 0 311.338 -0.294 20 0 DBADRM CC(=O)NC[C@@H]1CN(S(=O)(=O)CC(C)(C)C(=O)[O-])CCO1 ZINC001589133555 1021198663 /nfs/dbraw/zinc/19/86/63/1021198663.db2.gz WFYYGUGMKPBJOU-SNVBAGLBSA-N -1 0 322.383 -0.736 20 0 DBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@H](C)C(=O)[O-])c2C1 ZINC001589130175 1021199416 /nfs/dbraw/zinc/19/94/16/1021199416.db2.gz PSXRTKQUIJCYLW-PSASIEDQSA-N -1 0 308.338 -0.216 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001589127871 1021199698 /nfs/dbraw/zinc/19/96/98/1021199698.db2.gz VHYIEOJUDVEAGG-UHFFFAOYSA-N -1 0 323.353 -0.135 20 0 DBADRM CC(=O)NCCN(C)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001589139888 1021201398 /nfs/dbraw/zinc/20/13/98/1021201398.db2.gz MSDZQOXWPNJEOF-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001589229407 1021202239 /nfs/dbraw/zinc/20/22/39/1021202239.db2.gz RUZOSWUSAQLQAD-ZJUUUORDSA-N -1 0 309.340 -0.821 20 0 DBADRM CC(=O)N[C@@H](CSCCCOC(=O)NC(N)=O)C(=O)[O-] ZINC001589159519 1021204649 /nfs/dbraw/zinc/20/46/49/1021204649.db2.gz AJSJZQIRUQZIKT-ZETCQYMHSA-N -1 0 307.328 -0.496 20 0 DBADRM CC(=O)c1cn(C2CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C2)nn1 ZINC001589316050 1021210975 /nfs/dbraw/zinc/21/09/75/1021210975.db2.gz MKJCFFCJRCGJPI-SSDOTTSWSA-N -1 0 316.339 -0.612 20 0 DBADRM CC(C)(NC(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCCO1 ZINC001589316157 1021210994 /nfs/dbraw/zinc/21/09/94/1021210994.db2.gz MTLQTLYIONOQDS-VIFPVBQESA-N -1 0 320.357 -0.078 20 0 DBADRM C[C@@H](C(=O)N(C)[C@H](COC1CCC1)C(=O)[O-])S(C)(=O)=O ZINC001589338059 1021213586 /nfs/dbraw/zinc/21/35/86/1021213586.db2.gz YTHSBEIGDNTQTG-WCBMZHEXSA-N -1 0 307.368 -0.100 20 0 DBADRM C[C@H](C(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])N1CCN(C)CC1 ZINC001589346785 1021214230 /nfs/dbraw/zinc/21/42/30/1021214230.db2.gz VEZNOOPFVUONDU-NXEZZACHSA-N -1 0 305.325 -0.057 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(C)[C@H](CO)C1 ZINC001589350420 1021215123 /nfs/dbraw/zinc/21/51/23/1021215123.db2.gz QCOMIWFCHJQGSD-AAEUAGOBSA-N -1 0 313.398 -0.694 20 0 DBADRM CC(=O)NCCC1=CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001512520818 1021216844 /nfs/dbraw/zinc/21/68/44/1021216844.db2.gz FMCMGNYIQLTDFX-UHFFFAOYSA-N -1 0 309.326 -0.626 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001589336660 1021217784 /nfs/dbraw/zinc/21/77/84/1021217784.db2.gz KGJWZBAZEICQBW-SECBINFHSA-N -1 0 322.383 -0.594 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)n1cc(C(=O)N(C)C)nn1 ZINC001589352306 1021218111 /nfs/dbraw/zinc/21/81/11/1021218111.db2.gz JLORKOMSXCJCSC-SECBINFHSA-N -1 0 323.353 -0.136 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)n1cccn1 ZINC001589336577 1021218375 /nfs/dbraw/zinc/21/83/75/1021218375.db2.gz JWNGMSLEDDTJPP-MEWQQHAOSA-N -1 0 320.349 -0.309 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCc2nn[nH]c2C1 ZINC001589353330 1021219063 /nfs/dbraw/zinc/21/90/63/1021219063.db2.gz VUNCQJAJFAPPJR-VIFPVBQESA-N -1 0 307.354 -0.126 20 0 DBADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])C1CCOCC1)N1CCN(C)CC1 ZINC001589376345 1021220046 /nfs/dbraw/zinc/22/00/46/1021220046.db2.gz YOSVEMQPGVZZMZ-DGCLKSJQSA-N -1 0 313.398 -0.382 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCn2cnnc2C1 ZINC001589353683 1021222598 /nfs/dbraw/zinc/22/25/98/1021222598.db2.gz YMGBTHGROGTAQQ-SNVBAGLBSA-N -1 0 307.354 -0.195 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H]1C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001589357155 1021224378 /nfs/dbraw/zinc/22/43/78/1021224378.db2.gz VYMWNBGMNRFNFL-WCBMZHEXSA-N -1 0 305.352 -0.346 20 0 DBADRM CC(C)=CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001589368087 1021224517 /nfs/dbraw/zinc/22/45/17/1021224517.db2.gz RBJXRVWSKOXZJJ-VIFPVBQESA-N -1 0 318.341 -0.488 20 0 DBADRM C[C@H](C(=O)N[C@H](CO)C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001589389275 1021227219 /nfs/dbraw/zinc/22/72/19/1021227219.db2.gz XLQBQOGBHZQEJU-ZYUZMQFOSA-N -1 0 312.322 -0.888 20 0 DBADRM C[C@@H](C(=O)N[C@H](CC1CCOCC1)C(=O)[O-])S(C)(=O)=O ZINC001589385397 1021228316 /nfs/dbraw/zinc/22/83/16/1021228316.db2.gz DYJBZBBKBALRRY-WCBMZHEXSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC(N2CCCOC2=O)CC1 ZINC001589397007 1021229145 /nfs/dbraw/zinc/22/91/45/1021229145.db2.gz OQQVHYNSBSZSCQ-JTQLQIEISA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@@H](C(=O)N[C@@H](CC1CCOCC1)C(=O)[O-])S(C)(=O)=O ZINC001589385398 1021234099 /nfs/dbraw/zinc/23/40/99/1021234099.db2.gz DYJBZBBKBALRRY-WPRPVWTQSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC001589401700 1021234680 /nfs/dbraw/zinc/23/46/80/1021234680.db2.gz WEAARUPPNHVOHH-SNVBAGLBSA-N -1 0 321.381 -0.002 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC001589401699 1021236801 /nfs/dbraw/zinc/23/68/01/1021236801.db2.gz WEAARUPPNHVOHH-JTQLQIEISA-N -1 0 321.381 -0.002 20 0 DBADRM C[C@@H](C(=O)NCCNc1ccnc(C(=O)[O-])n1)[C@H]1CCC(=O)N1 ZINC001589409792 1021237433 /nfs/dbraw/zinc/23/74/33/1021237433.db2.gz IYRXXBLFKYGMGM-RKDXNWHRSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001589401502 1021238864 /nfs/dbraw/zinc/23/88/64/1021238864.db2.gz UFKFMZBDQAOXKB-RAIGVLPGSA-N -1 0 308.334 -0.300 20 0 DBADRM C[C@@H](C(=O)NCCSCC(=O)[O-])n1cnc2c1ncnc2N ZINC001589409982 1021241304 /nfs/dbraw/zinc/24/13/04/1021241304.db2.gz OYWCQLGICRVBCY-ZETCQYMHSA-N -1 0 324.366 -0.097 20 0 DBADRM C[C@H]([C@@H](C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])S(C)(=O)=O ZINC001589413952 1021241436 /nfs/dbraw/zinc/24/14/36/1021241436.db2.gz SHCWAGNROFNWFW-ZYUZMQFOSA-N -1 0 307.368 -0.339 20 0 DBADRM CC(C)[C@H](CO)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589459401 1021245121 /nfs/dbraw/zinc/24/51/21/1021245121.db2.gz CHHKOHOODQKCHE-BDAKNGLRSA-N -1 0 308.346 -0.600 20 0 DBADRM CC(C)[C@H](CO)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589460417 1021247208 /nfs/dbraw/zinc/24/72/08/1021247208.db2.gz PVFAPJFILDJYER-VIFPVBQESA-N -1 0 323.361 -0.978 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[C@@H](C)S(C)(=O)=O ZINC001589422716 1021248379 /nfs/dbraw/zinc/24/83/79/1021248379.db2.gz APZDHLNKQUZOBB-XSPKLOCKSA-N -1 0 322.383 -0.850 20 0 DBADRM C[C@H]([C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])S(C)(=O)=O ZINC001589422712 1021248602 /nfs/dbraw/zinc/24/86/02/1021248602.db2.gz APZDHLNKQUZOBB-RYPBNFRJSA-N -1 0 322.383 -0.850 20 0 DBADRM CC(C)[C@@H](CO)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589459407 1021249081 /nfs/dbraw/zinc/24/90/81/1021249081.db2.gz CHHKOHOODQKCHE-RKDXNWHRSA-N -1 0 308.346 -0.600 20 0 DBADRM C[C@@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])N1C(=O)CCC1=O ZINC001589422297 1021249380 /nfs/dbraw/zinc/24/93/80/1021249380.db2.gz HINILGMQTCFAHD-IONNQARKSA-N -1 0 308.294 -0.941 20 0 DBADRM C[C@@H](C(=O)[O-])N(CC(F)F)S(=O)(=O)N=S(C)(C)=O ZINC001589486219 1021251948 /nfs/dbraw/zinc/25/19/48/1021251948.db2.gz KTSLEAORTWHTLX-YFKPBYRVSA-N -1 0 308.328 -0.001 20 0 DBADRM CC(C)[C@H](O)CCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001589476711 1021252847 /nfs/dbraw/zinc/25/28/47/1021252847.db2.gz UKPWGZPHIXLIFZ-SSDOTTSWSA-N -1 0 309.330 -0.515 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)Cn1ccc(=O)n(C)c1=O)C1CCC1 ZINC001589477162 1021254806 /nfs/dbraw/zinc/25/48/06/1021254806.db2.gz MJOMQYZSYHBEFD-VIFPVBQESA-N -1 0 309.322 -0.599 20 0 DBADRM CC(C)CCCn1c(=O)c(-c2nnn[n-]2)cn(CCO)c1=O ZINC001589597193 1021259280 /nfs/dbraw/zinc/25/92/80/1021259280.db2.gz AWCUIUUWPLMINC-UHFFFAOYSA-N -1 0 308.342 -0.381 20 0 DBADRM CC(C)[C@H]1C[C@@H]1C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001589501383 1021259511 /nfs/dbraw/zinc/25/95/11/1021259511.db2.gz FMNJSIKVIXMWJV-ZJUUUORDSA-N -1 0 316.369 -0.101 20 0 DBADRM CC(C)(C(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1)N1CCOCC1 ZINC001589567671 1021259736 /nfs/dbraw/zinc/25/97/36/1021259736.db2.gz SHNOBHGXKFFMMV-RYUDHWBXSA-N -1 0 314.382 -0.049 20 0 DBADRM C[C@H]([C@H](C)N(C)C(=O)Cn1ccc(C(=O)[O-])n1)S(C)(=O)=O ZINC001589553780 1021259929 /nfs/dbraw/zinc/25/99/29/1021259929.db2.gz QWBXEPMILPVYFQ-DTWKUNHWSA-N -1 0 317.367 -0.139 20 0 DBADRM CC(C)C[C@H](CO)N(C)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589563302 1021261059 /nfs/dbraw/zinc/26/10/59/1021261059.db2.gz YIZMVMNFALDYSR-VHSXEESVSA-N -1 0 322.373 -0.115 20 0 DBADRM CC(C)(C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])n1cccn1 ZINC001589562802 1021262152 /nfs/dbraw/zinc/26/21/52/1021262152.db2.gz LTYWKRMEJUICPB-JTQLQIEISA-N -1 0 308.338 -0.190 20 0 DBADRM CC(C)(C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1)N1CCOCC1 ZINC001589567669 1021264466 /nfs/dbraw/zinc/26/44/66/1021264466.db2.gz SHNOBHGXKFFMMV-NWDGAFQWSA-N -1 0 314.382 -0.049 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)COC(=O)Cc1nc2ncccn2n1 ZINC001589582986 1021264514 /nfs/dbraw/zinc/26/45/14/1021264514.db2.gz BCALESGIJQTMLR-UHFFFAOYSA-N -1 0 306.278 -0.110 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)NCCn2cnnn2)cn1 ZINC001589665891 1021267465 /nfs/dbraw/zinc/26/74/65/1021267465.db2.gz JJBVFIXHTWOVEC-UHFFFAOYSA-N -1 0 308.302 -0.489 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)CN2CCNCC2=O)cn1 ZINC001589663801 1021267757 /nfs/dbraw/zinc/26/77/57/1021267757.db2.gz KOQYUCPMHBYPCH-UHFFFAOYSA-N -1 0 309.326 -0.927 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)NCC2(CO)CC2)cn1 ZINC001589659613 1021268010 /nfs/dbraw/zinc/26/80/10/1021268010.db2.gz BKJMJNDHVSJNKQ-UHFFFAOYSA-N -1 0 324.337 -0.470 20 0 DBADRM CC(C)CNC(=O)NC(=O)Cn1cc(-c2nnn[n-]2)ccc1=O ZINC001589634562 1021269053 /nfs/dbraw/zinc/26/90/53/1021269053.db2.gz FMSIUVDZTASYRG-UHFFFAOYSA-N -1 0 319.325 -0.490 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)NC2(CCO)CC2)cn1 ZINC001589660905 1021269575 /nfs/dbraw/zinc/26/95/75/1021269575.db2.gz UPUXSDZXEJMOET-UHFFFAOYSA-N -1 0 324.337 -0.328 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(CC(=O)N=S(C)(C)=O)CC1 ZINC001589629103 1021272798 /nfs/dbraw/zinc/27/27/98/1021272798.db2.gz CRCNPAZDWZTZIP-UHFFFAOYSA-N -1 0 305.400 -0.279 20 0 DBADRM CC(C)(C(=O)OCCc1cn(CC(=O)[O-])nn1)S(C)(=O)=O ZINC001589681675 1021277097 /nfs/dbraw/zinc/27/70/97/1021277097.db2.gz YWBQOTDMTXKKLP-UHFFFAOYSA-N -1 0 319.339 -0.728 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001589681768 1021278491 /nfs/dbraw/zinc/27/84/91/1021278491.db2.gz DOIIGHVGGXWPQK-NSHDSACASA-N -1 0 324.381 -0.249 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NC[C@]2(O)CCOC2)n1 ZINC001589675588 1021279639 /nfs/dbraw/zinc/27/96/39/1021279639.db2.gz QTFCNUCKJITOGI-CYBMUJFWSA-N -1 0 312.326 -0.024 20 0 DBADRM CC(C)(C)[C@@H](O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001589721266 1021288987 /nfs/dbraw/zinc/28/89/87/1021288987.db2.gz ZCKQYAQUTWXPRN-NHYWBVRUSA-N -1 0 314.382 -0.219 20 0 DBADRM CC(C)(C)[C@@H]1CCCN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001589728380 1021291055 /nfs/dbraw/zinc/29/10/55/1021291055.db2.gz JYZLLTYYDBZJQF-SNVBAGLBSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001589719552 1021292087 /nfs/dbraw/zinc/29/20/87/1021292087.db2.gz HBKBXLJMSZEBFL-UHFFFAOYSA-N -1 0 304.310 -0.173 20 0 DBADRM CC(C)[C@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)(C)O ZINC001589764128 1021302583 /nfs/dbraw/zinc/30/25/83/1021302583.db2.gz VNURLAUZOGUKKC-BDAKNGLRSA-N -1 0 322.373 -0.069 20 0 DBADRM CC(C)[C@@H](CO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589762855 1021303016 /nfs/dbraw/zinc/30/30/16/1021303016.db2.gz AGYHWQVGWNQFCO-SSDOTTSWSA-N -1 0 301.328 -0.245 20 0 DBADRM CC(C)(C)C[C@H](O)CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001589756693 1021303963 /nfs/dbraw/zinc/30/39/63/1021303963.db2.gz CQUJKOLPESKYCK-ZJUUUORDSA-N -1 0 321.395 -0.116 20 0 DBADRM CC(C)c1ncc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)[nH]1 ZINC001589775319 1021305087 /nfs/dbraw/zinc/30/50/87/1021305087.db2.gz KOAIHUYZRIOSOS-UHFFFAOYSA-N -1 0 316.329 -0.265 20 0 DBADRM CC(C)(C)NC(=O)N1CCN(Cc2cn(CC(=O)[O-])nn2)CC1 ZINC001589823660 1021305790 /nfs/dbraw/zinc/30/57/90/1021305790.db2.gz NCMSVHWXGVDLMA-UHFFFAOYSA-N -1 0 324.385 -0.012 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CN[C@@](C)(CCF)C(=O)[O-] ZINC001589823573 1021307766 /nfs/dbraw/zinc/30/77/66/1021307766.db2.gz IKEARYPFOKVCNF-ZDUSSCGKSA-N -1 0 305.350 -0.190 20 0 DBADRM CC(C)(C)NC(=O)CN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001589823665 1021310207 /nfs/dbraw/zinc/31/02/07/1021310207.db2.gz NGWWOHVFURGABM-HNNXBMFYSA-N -1 0 313.398 -0.238 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CN1CCO[C@@H](CC(=O)[O-])C1 ZINC001589823743 1021310847 /nfs/dbraw/zinc/31/08/47/1021310847.db2.gz RIYZFJYKQKZEEE-JTQLQIEISA-N -1 0 315.370 -0.807 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CN1CCO[C@H](CC(=O)[O-])C1 ZINC001589823744 1021311045 /nfs/dbraw/zinc/31/10/45/1021311045.db2.gz RIYZFJYKQKZEEE-SNVBAGLBSA-N -1 0 315.370 -0.807 20 0 DBADRM CC(C)(C)NC(=O)NC(=O)CN1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001589830507 1021312716 /nfs/dbraw/zinc/31/27/16/1021312716.db2.gz PDDAKKXCHUKDIO-PSASIEDQSA-N -1 0 301.343 -0.479 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001589834192 1021312747 /nfs/dbraw/zinc/31/27/47/1021312747.db2.gz FHBWDSKHZNQHCL-PSASIEDQSA-N -1 0 322.383 -0.690 20 0 DBADRM CC(C)(C)OC(=O)[C@]1(NC(=O)COCC(=O)[O-])CCOC1 ZINC001589857783 1021318369 /nfs/dbraw/zinc/31/83/69/1021318369.db2.gz UFSNPEFHUYIBEX-ZDUSSCGKSA-N -1 0 303.311 -0.295 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1)C(=O)[O-] ZINC001589850935 1021323480 /nfs/dbraw/zinc/32/34/80/1021323480.db2.gz VJVYCJAGSQDZIE-LURJTMIESA-N -1 0 319.281 -0.963 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1COCCN1CC(=O)NCCC(=O)[O-] ZINC001589866443 1021324139 /nfs/dbraw/zinc/32/41/39/1021324139.db2.gz OBMVUVYMJTYCGO-SNVBAGLBSA-N -1 0 316.354 -0.380 20 0 DBADRM CC(C)(C)OC(=O)Cn1cc(C(=O)NC2(C(=O)[O-])CC2)nn1 ZINC001589901546 1021330639 /nfs/dbraw/zinc/33/06/39/1021330639.db2.gz RMOWYDUDTUQJKZ-UHFFFAOYSA-N -1 0 310.310 -0.033 20 0 DBADRM CC(F)(F)CCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589910535 1021330731 /nfs/dbraw/zinc/33/07/31/1021330731.db2.gz OQFYNRXMYLHZOA-UHFFFAOYSA-N -1 0 315.288 -0.197 20 0 DBADRM CC(C)(C)OC(=O)Cn1cc(C(=O)N2CC[C@H]2C(=O)[O-])nn1 ZINC001589901057 1021331068 /nfs/dbraw/zinc/33/10/68/1021331068.db2.gz DKILAXJXFFVJCJ-VIFPVBQESA-N -1 0 310.310 -0.081 20 0 DBADRM CC(Cl)(Cl)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589904288 1021332156 /nfs/dbraw/zinc/33/21/56/1021332156.db2.gz KZRHVMUHMKXYBQ-UHFFFAOYSA-N -1 0 305.129 -0.232 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001589892028 1021333210 /nfs/dbraw/zinc/33/32/10/1021333210.db2.gz XCUZMXYDDWLERN-CABZTGNLSA-N -1 0 317.338 -0.219 20 0 DBADRM CC(C)(C)OC(=O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001589892158 1021333229 /nfs/dbraw/zinc/33/32/29/1021333229.db2.gz ZHKMXCPWQSBQNR-UHFFFAOYSA-N -1 0 319.339 -0.412 20 0 DBADRM CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@](O)(C(=O)[O-])C2)C1 ZINC001589910169 1021334174 /nfs/dbraw/zinc/33/41/74/1021334174.db2.gz XHHNZMZVMIICPG-CQSZACIVSA-N -1 0 314.338 -0.099 20 0 DBADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)CO)C[C@H]2C(=O)[O-] ZINC001589947873 1021337121 /nfs/dbraw/zinc/33/71/21/1021337121.db2.gz HMMISQMIVCEIIK-VIFPVBQESA-N -1 0 314.338 -0.241 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)[O-] ZINC001589988599 1021342311 /nfs/dbraw/zinc/34/23/11/1021342311.db2.gz NAKGRVWHDMJBSO-GFCCVEGCSA-N -1 0 324.272 -0.037 20 0 DBADRM C[C@H](O)C[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589996480 1021353467 /nfs/dbraw/zinc/35/34/67/1021353467.db2.gz HDNONMBTJFKEQS-BQBZGAKWSA-N -1 0 301.328 -0.103 20 0 DBADRM C[C@H](O)C[C@@H]1CCCN1C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589996779 1021354298 /nfs/dbraw/zinc/35/42/98/1021354298.db2.gz JUYPGTDQMQRSBM-GUBZILKMSA-N -1 0 320.357 -0.219 20 0 DBADRM CC1(C(=O)NCCNc2ccnc(-c3nnn[n-]3)n2)CC=CC1 ZINC001590067990 1021377230 /nfs/dbraw/zinc/37/72/30/1021377230.db2.gz PDRFOXGZSYLRIJ-UHFFFAOYSA-N -1 0 314.353 -0.037 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@H](CO)C(=O)[O-])C1 ZINC001590065540 1021378681 /nfs/dbraw/zinc/37/86/81/1021378681.db2.gz VKKRORQEKCVTGB-BDAKNGLRSA-N -1 0 318.326 -0.816 20 0 DBADRM CC1(C)CCCN1C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590096939 1021380073 /nfs/dbraw/zinc/38/00/73/1021380073.db2.gz OGQZZWHWFWJBDP-UHFFFAOYSA-N -1 0 319.325 -0.470 20 0 DBADRM CC1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)CC1 ZINC001590069087 1021380573 /nfs/dbraw/zinc/38/05/73/1021380573.db2.gz UPIFTNDAZDQIIN-UHFFFAOYSA-N -1 0 308.323 -0.133 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NCCN=c1cc[nH]c(-c2nnn[n-]2)n1 ZINC001590088566 1021380896 /nfs/dbraw/zinc/38/08/96/1021380896.db2.gz YJYSKUQZGNARGZ-MRVPVSSYSA-N -1 0 302.342 -0.347 20 0 DBADRM CC1(C)C[C@H]1C(=O)NCCN=c1cc[nH]c(-c2nnn[n-]2)n1 ZINC001590088567 1021382734 /nfs/dbraw/zinc/38/27/34/1021382734.db2.gz YJYSKUQZGNARGZ-QMMMGPOBSA-N -1 0 302.342 -0.347 20 0 DBADRM CC1(C)CCC[C@]1(O)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590096549 1021383337 /nfs/dbraw/zinc/38/33/37/1021383337.db2.gz HBYONSHOFATYHZ-ZDUSSCGKSA-N -1 0 320.357 -0.484 20 0 DBADRM C[C@@]1(C(=O)NCCNc2ccnc(-c3nnn[n-]3)n2)C=CCC1 ZINC001590068432 1021385291 /nfs/dbraw/zinc/38/52/91/1021385291.db2.gz WUWYOXZAGUOETI-CQSZACIVSA-N -1 0 314.353 -0.037 20 0 DBADRM CC1(C)CO[C@@H](CC(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590112866 1021389207 /nfs/dbraw/zinc/38/92/07/1021389207.db2.gz MUXVXKGHMKWULM-VIFPVBQESA-N -1 0 320.357 -0.220 20 0 DBADRM C[C@@]1(CO)CCCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001590137444 1021389458 /nfs/dbraw/zinc/38/94/58/1021389458.db2.gz YYSIKILVYNLECS-LBPRGKRZSA-N -1 0 324.366 -0.203 20 0 DBADRM CC1(NC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC=CC1 ZINC001590144353 1021394455 /nfs/dbraw/zinc/39/44/55/1021394455.db2.gz UDPVIVPSCMIEET-UHFFFAOYSA-N -1 0 317.309 -0.646 20 0 DBADRM CC1=CCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001590162512 1021394844 /nfs/dbraw/zinc/39/48/44/1021394844.db2.gz XDJNCXMZKSUDHT-UHFFFAOYSA-N -1 0 303.330 -0.180 20 0 DBADRM C[C@]1(O)CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001590150379 1021397787 /nfs/dbraw/zinc/39/77/87/1021397787.db2.gz JEWSJXCKTOICDV-LBPRGKRZSA-N -1 0 306.330 -0.778 20 0 DBADRM CC(C)(C)OC(=O)NCC1(C(=O)NC[C@H](O)C(=O)[O-])CC1 ZINC001590163219 1021400470 /nfs/dbraw/zinc/40/04/70/1021400470.db2.gz RUBHXIJADUPAQQ-QMMMGPOBSA-N -1 0 302.327 -0.147 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2csc(-c3nn[nH]n3)c2)C(=O)N1C ZINC001590165843 1021409636 /nfs/dbraw/zinc/40/96/36/1021409636.db2.gz PDHQYZJEVCMNSA-YFKPBYRVSA-N -1 0 321.322 -0.145 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H](CO)[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590168935 1021410683 /nfs/dbraw/zinc/41/06/83/1021410683.db2.gz VRWNMERYQLGHDI-KXUCPTDWSA-N -1 0 320.357 -0.361 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590164538 1021411279 /nfs/dbraw/zinc/41/12/79/1021411279.db2.gz FUDJMZHTVLLPTG-SSDOTTSWSA-N -1 0 302.294 -0.467 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)NCCNc2ccnc(-c3nnn[n-]3)n2)CO1 ZINC001590183960 1021419289 /nfs/dbraw/zinc/41/92/89/1021419289.db2.gz WVJKOSZJNAPUAW-RKDXNWHRSA-N -1 0 318.341 -0.968 20 0 DBADRM CC(C)(C)OC(=O)NCCN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001590200269 1021423485 /nfs/dbraw/zinc/42/34/85/1021423485.db2.gz CHGCOGXYYMEJJB-VIFPVBQESA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001590215596 1021427997 /nfs/dbraw/zinc/42/79/97/1021427997.db2.gz KAPJTVPWXLSZDP-BDAKNGLRSA-N -1 0 302.342 -0.135 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001590214058 1021428395 /nfs/dbraw/zinc/42/83/95/1021428395.db2.gz IQQJVCGNQYXWGB-XPUUQOCRSA-N -1 0 317.309 -0.832 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001590215602 1021428560 /nfs/dbraw/zinc/42/85/60/1021428560.db2.gz KAPJTVPWXLSZDP-RKDXNWHRSA-N -1 0 302.342 -0.135 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590216086 1021429343 /nfs/dbraw/zinc/42/93/43/1021429343.db2.gz NVANSBDBUKHMSM-DOLQZWNJSA-N -1 0 314.353 -0.206 20 0 DBADRM C[C@@H]1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)CS1(=O)=O ZINC001590238280 1021434063 /nfs/dbraw/zinc/43/40/63/1021434063.db2.gz CXDVBVXKEFTPBN-SFYZADRCSA-N -1 0 309.355 -0.544 20 0 DBADRM CC(C)(C)OC(=O)NOCC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001590232935 1021437870 /nfs/dbraw/zinc/43/78/70/1021437870.db2.gz MGBUDLWPUZDEIU-DTWKUNHWSA-N -1 0 318.326 -0.263 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N1CCOCN1 ZINC001590238271 1021439354 /nfs/dbraw/zinc/43/93/54/1021439354.db2.gz ZUHSKOQMLVIZSU-QMMMGPOBSA-N -1 0 303.315 -0.325 20 0 DBADRM C[C@H]1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)CS1(=O)=O ZINC001590238281 1021439876 /nfs/dbraw/zinc/43/98/76/1021439876.db2.gz CXDVBVXKEFTPBN-YUMQZZPRSA-N -1 0 309.355 -0.544 20 0 DBADRM CC(C)C(=O)N(C)C[C@@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001514530930 1021442486 /nfs/dbraw/zinc/44/24/86/1021442486.db2.gz DRSGUQQIMZLKSS-JTQLQIEISA-N -1 0 322.365 -0.185 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCC1(F)F ZINC001590292524 1021442864 /nfs/dbraw/zinc/44/28/64/1021442864.db2.gz ZFAIAECVYRQLOG-ZETCQYMHSA-N -1 0 312.284 -0.038 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001590274774 1021444801 /nfs/dbraw/zinc/44/48/01/1021444801.db2.gz PFZGMLXEDXPNSC-HRDYMLBCSA-N -1 0 302.327 -0.149 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC001590275040 1021445926 /nfs/dbraw/zinc/44/59/26/1021445926.db2.gz YVXQOSVLJRFBSG-RKDXNWHRSA-N -1 0 302.327 -0.149 20 0 DBADRM C[C@H]1CN(CCNC(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001590305746 1021451130 /nfs/dbraw/zinc/45/11/30/1021451130.db2.gz XGKXKTCFTNDWDK-VIFPVBQESA-N -1 0 306.326 -0.090 20 0 DBADRM C[C@@H]1CO[C@H](C(=O)NCCNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590320921 1021454004 /nfs/dbraw/zinc/45/40/04/1021454004.db2.gz AQGFBABSDFKLMG-IUCAKERBSA-N -1 0 318.341 -0.968 20 0 DBADRM C[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C(C)(C)C1 ZINC001590311995 1021456871 /nfs/dbraw/zinc/45/68/71/1021456871.db2.gz GDUWUFGETVMUMO-SSDOTTSWSA-N -1 0 305.342 -0.122 20 0 DBADRM C[C@H]1COCC[C@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590322376 1021457362 /nfs/dbraw/zinc/45/73/62/1021457362.db2.gz FGRYWDNOTFZQIE-IUCAKERBSA-N -1 0 306.330 -0.753 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C[C@H]1O ZINC001590315650 1021458759 /nfs/dbraw/zinc/45/87/59/1021458759.db2.gz ZONXQNNCGHOGTF-JGVFFNPUSA-N -1 0 310.339 -0.737 20 0 DBADRM C[C@H]1CO[C@@H](C(=O)NCCNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590320924 1021459251 /nfs/dbraw/zinc/45/92/51/1021459251.db2.gz AQGFBABSDFKLMG-RKDXNWHRSA-N -1 0 318.341 -0.968 20 0 DBADRM C[C@@H]1CSCCN1c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590327093 1021463926 /nfs/dbraw/zinc/46/39/26/1021463926.db2.gz LLLQAQSIFIGYDZ-ZCFIWIBFSA-N -1 0 309.355 -0.805 20 0 DBADRM C[C@@H](C(=O)N1CCOC[C@@H](C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001590326334 1021465643 /nfs/dbraw/zinc/46/56/43/1021465643.db2.gz OHJAUUCUTQPLEG-IUCAKERBSA-N -1 0 306.330 -0.486 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590323674 1021466083 /nfs/dbraw/zinc/46/60/83/1021466083.db2.gz NJHACFFCRRRHKV-PSASIEDQSA-N -1 0 319.321 -0.206 20 0 DBADRM C[C@H]1CSCCN1c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590327092 1021466206 /nfs/dbraw/zinc/46/62/06/1021466206.db2.gz LLLQAQSIFIGYDZ-LURJTMIESA-N -1 0 309.355 -0.805 20 0 DBADRM C/C=C(/C)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590346341 1021470462 /nfs/dbraw/zinc/47/04/62/1021470462.db2.gz DQGVPDQFJZBQND-CLTKARDFSA-N -1 0 305.298 -0.789 20 0 DBADRM C[C@H]1SCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@H]1C ZINC001590338702 1021472754 /nfs/dbraw/zinc/47/27/54/1021472754.db2.gz VQROAZKJESCMMK-NKWVEPMBSA-N -1 0 323.382 -0.416 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590336202 1021475120 /nfs/dbraw/zinc/47/51/20/1021475120.db2.gz XBFIYYNGRBOLPD-CLAHSXSESA-N -1 0 319.321 -0.158 20 0 DBADRM CC(C)(C)OCC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001590378376 1021476634 /nfs/dbraw/zinc/47/66/34/1021476634.db2.gz RLACJUIZULCGBP-UHFFFAOYSA-N -1 0 307.368 -0.050 20 0 DBADRM CCC(=O)N1CCC[C@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001590361511 1021480211 /nfs/dbraw/zinc/48/02/11/1021480211.db2.gz HEFIBLHHUKMDKF-VIFPVBQESA-N -1 0 302.342 -0.109 20 0 DBADRM CC[C@H](CCO)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590438713 1021484983 /nfs/dbraw/zinc/48/49/83/1021484983.db2.gz HVOUSSUZOQTWFH-SSDOTTSWSA-N -1 0 309.330 -0.514 20 0 DBADRM CC[C@H](CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1)OC ZINC001590441592 1021485687 /nfs/dbraw/zinc/48/56/87/1021485687.db2.gz DEPDWJJXGKBDLJ-MRVPVSSYSA-N -1 0 309.334 -0.818 20 0 DBADRM CC[C@H](C)[C@@H](NCCn1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC001590400829 1021485895 /nfs/dbraw/zinc/48/58/95/1021485895.db2.gz VBWOTQYSECUILD-DTWKUNHWSA-N -1 0 308.346 -0.365 20 0 DBADRM CCC(CC)Cn1c(=O)c(-c2nnn[n-]2)cn(CCO)c1=O ZINC001590434073 1021486604 /nfs/dbraw/zinc/48/66/04/1021486604.db2.gz CLVGQNDFNHSWFZ-UHFFFAOYSA-N -1 0 308.342 -0.381 20 0 DBADRM CC[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ncc[nH]1 ZINC001590453840 1021494595 /nfs/dbraw/zinc/49/45/95/1021494595.db2.gz CPAYBYKVTAUBRU-ZETCQYMHSA-N -1 0 302.302 -0.551 20 0 DBADRM CC[C@@H](CS(=O)(=O)N=c1cc[nH]cc1-c1nnn[n-]1)OC ZINC001590446961 1021495107 /nfs/dbraw/zinc/49/51/07/1021495107.db2.gz IDTCJMZJORJLBI-QMMMGPOBSA-N -1 0 312.355 -0.150 20 0 DBADRM CC[C@H](CO)NS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001590448354 1021500427 /nfs/dbraw/zinc/50/04/27/1021500427.db2.gz MDESLSZWOSMPFQ-ZCFIWIBFSA-N -1 0 303.369 -0.023 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2coc(-c3nn[nH]n3)c2)C1=O ZINC001590491650 1021503880 /nfs/dbraw/zinc/50/38/80/1021503880.db2.gz HRTWCMPSYHERSM-GFCCVEGCSA-N -1 0 319.281 -0.175 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)[C@@H](C)O ZINC001590470056 1021505202 /nfs/dbraw/zinc/50/52/02/1021505202.db2.gz OTEZTKVWGGERLT-SFYZADRCSA-N -1 0 312.355 -0.301 20 0 DBADRM CCC(O)(CC)CN(C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590473390 1021505810 /nfs/dbraw/zinc/50/58/10/1021505810.db2.gz HIRQBHNOHWTNEY-UHFFFAOYSA-N -1 0 308.346 -0.532 20 0 DBADRM CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])nn1 ZINC001590493782 1021509101 /nfs/dbraw/zinc/50/91/01/1021509101.db2.gz PARBXBGRIHVCKO-QMMMGPOBSA-N -1 0 324.337 -0.336 20 0 DBADRM CCC1(CC)CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001590494054 1021509959 /nfs/dbraw/zinc/50/99/59/1021509959.db2.gz OTOAJTACFSYZTE-UHFFFAOYSA-N -1 0 305.342 -0.120 20 0 DBADRM CC[C@@H]1[C@H](C)CCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001590502940 1021511844 /nfs/dbraw/zinc/51/18/44/1021511844.db2.gz UHUIQWAYVZIMDE-RKDXNWHRSA-N -1 0 319.369 -0.111 20 0 DBADRM CC[C@]1(O)CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590499727 1021511964 /nfs/dbraw/zinc/51/19/64/1021511964.db2.gz HDQQSUFAPYUCNO-LBPRGKRZSA-N -1 0 306.330 -0.778 20 0 DBADRM CC[C@H]1C(=O)NCCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001590501192 1021513047 /nfs/dbraw/zinc/51/30/47/1021513047.db2.gz XJJHDCRYVQXEOT-JTQLQIEISA-N -1 0 303.326 -0.804 20 0 DBADRM CCC[C@@](C)(CO)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590542681 1021515460 /nfs/dbraw/zinc/51/54/60/1021515460.db2.gz DQUYLNXSFIXMQL-PELKAZGASA-N -1 0 308.346 -0.314 20 0 DBADRM CCC/C=C/[C@H](O)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590568345 1021515806 /nfs/dbraw/zinc/51/58/06/1021515806.db2.gz CQRGBUSOVQOFSQ-MOVJSRMASA-N -1 0 306.330 -0.708 20 0 DBADRM CCC[C@@H](CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)OC ZINC001590557875 1021519875 /nfs/dbraw/zinc/51/98/75/1021519875.db2.gz URUDVQBNIOZFAR-IUCAKERBSA-N -1 0 308.346 -0.050 20 0 DBADRM CCC[C@@H](O)CCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590560826 1021521254 /nfs/dbraw/zinc/52/12/54/1021521254.db2.gz QXJDOVISQBTYIT-SSDOTTSWSA-N -1 0 309.330 -0.371 20 0 DBADRM CC(C)(C)c1ncc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])cn1 ZINC001590556175 1021521689 /nfs/dbraw/zinc/52/16/89/1021521689.db2.gz KJKCMTKWHPFBCN-VIFPVBQESA-N -1 0 324.337 -0.336 20 0 DBADRM CC(C)(CC(=O)[O-])CC(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001590627826 1021524866 /nfs/dbraw/zinc/52/48/66/1021524866.db2.gz MTAIJZUSCUDOBC-HNNXBMFYSA-N -1 0 314.382 -0.217 20 0 DBADRM CC(C)(C)n1nnc(CCN2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC001590613794 1021526276 /nfs/dbraw/zinc/52/62/76/1021526276.db2.gz KOGQIKIVIPRESK-SECBINFHSA-N -1 0 310.358 -0.754 20 0 DBADRM CC(C)(C)n1cnc(NC(=O)C(=O)NCCOCC(=O)[O-])n1 ZINC001590602743 1021527276 /nfs/dbraw/zinc/52/72/76/1021527276.db2.gz CONAPANDXWZLEO-UHFFFAOYSA-N -1 0 313.314 -0.811 20 0 DBADRM CC(C)(C)n1nnc(CCN2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC001590613795 1021529284 /nfs/dbraw/zinc/52/92/84/1021529284.db2.gz KOGQIKIVIPRESK-VIFPVBQESA-N -1 0 310.358 -0.754 20 0 DBADRM CCCCOCCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590612836 1021529555 /nfs/dbraw/zinc/52/95/55/1021529555.db2.gz OXNCYEUZRBHEHE-UHFFFAOYSA-N -1 0 323.361 -0.426 20 0 DBADRM CCCNC(=O)NC(=O)Cn1ccc(-c2nnn[n-]2)cc1=O ZINC001590638382 1021530978 /nfs/dbraw/zinc/53/09/78/1021530978.db2.gz KPKSIGQGPBUSAC-UHFFFAOYSA-N -1 0 305.298 -0.736 20 0 DBADRM CC(C)(CC(=O)[O-])NC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC001590649677 1021532177 /nfs/dbraw/zinc/53/21/77/1021532177.db2.gz LQDYGEXRLQAFPC-UHFFFAOYSA-N -1 0 324.341 -0.727 20 0 DBADRM CCN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)C(C)(C)C(=O)OC ZINC001590671662 1021535185 /nfs/dbraw/zinc/53/51/85/1021535185.db2.gz GRPVTGJAZWTIAP-UHFFFAOYSA-N -1 0 322.329 -0.742 20 0 DBADRM CCN(CC(C)(C)O)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590682153 1021543050 /nfs/dbraw/zinc/54/30/50/1021543050.db2.gz DIDDCOUAJZEFGG-UHFFFAOYSA-N -1 0 323.361 -0.739 20 0 DBADRM CC(C)(CNC(=O)CNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC001590713125 1021547349 /nfs/dbraw/zinc/54/73/49/1021547349.db2.gz MPAKTBHSGSATRQ-UHFFFAOYSA-N -1 0 315.351 -0.413 20 0 DBADRM CC(C)(CNC(=O)C12CC(C(=O)[O-])(C1)C2)NS(C)(=O)=O ZINC001590706447 1021548427 /nfs/dbraw/zinc/54/84/27/1021548427.db2.gz PJFUBRNWHYINFI-UHFFFAOYSA-N -1 0 304.368 -0.315 20 0 DBADRM CC(C)(CNC(=O)C(=O)NCCCC(=O)[O-])N1CCOCC1 ZINC001590705231 1021548747 /nfs/dbraw/zinc/54/87/47/1021548747.db2.gz RCDWJZZJRQPVEO-UHFFFAOYSA-N -1 0 315.370 -0.806 20 0 DBADRM CCN1CCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001590735256 1021555191 /nfs/dbraw/zinc/55/51/91/1021555191.db2.gz QZRBUIKDNVLYSG-SECBINFHSA-N -1 0 305.346 -0.817 20 0 DBADRM CC(C)(CNC(=O)N1CCC[C@H]1CS(N)(=O)=O)C(=O)[O-] ZINC001590717801 1021556432 /nfs/dbraw/zinc/55/64/32/1021556432.db2.gz VYBWUJDWANJCHK-QMMMGPOBSA-N -1 0 307.372 -0.440 20 0 DBADRM CCOC(=O)CCCOC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590761786 1021578781 /nfs/dbraw/zinc/57/87/81/1021578781.db2.gz GKBPHILLGHWNRP-MRVPVSSYSA-N -1 0 323.313 -0.094 20 0 DBADRM CCO[C@@H](Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C)c1=O)C1CC1 ZINC001590785512 1021581180 /nfs/dbraw/zinc/58/11/80/1021581180.db2.gz QMAIOVMFMNATQW-JTQLQIEISA-N -1 0 320.353 -0.149 20 0 DBADRM CCOCC(=O)NC/C=C\CNc1ccnc(-c2nnn[n-]2)n1 ZINC001590799088 1021582990 /nfs/dbraw/zinc/58/29/90/1021582990.db2.gz LOHHGRAZHPUNCZ-ARJAWSKDSA-N -1 0 318.341 -0.801 20 0 DBADRM CC(C)(CS(=O)(=O)NC[C@@]1(CCO)CCOC1)C(=O)[O-] ZINC001590802731 1021589706 /nfs/dbraw/zinc/58/97/06/1021589706.db2.gz FQEGGIFEXJKTML-GFCCVEGCSA-N -1 0 309.384 -0.194 20 0 DBADRM CC(C)(CS(=O)(=O)NCc1nc2ncccn2n1)C(=O)[O-] ZINC001590820360 1021592455 /nfs/dbraw/zinc/59/24/55/1021592455.db2.gz UZLVVDPKLPGDKY-UHFFFAOYSA-N -1 0 313.339 -0.346 20 0 DBADRM CC(C)(NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)C(=O)[O-] ZINC001590836792 1021593047 /nfs/dbraw/zinc/59/30/47/1021593047.db2.gz ZNGBTRQDQBXVRV-UHFFFAOYSA-N -1 0 311.269 -0.158 20 0 DBADRM CC(C)(F)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001590827121 1021593522 /nfs/dbraw/zinc/59/35/22/1021593522.db2.gz PXNNDRYURUGBPE-RKDXNWHRSA-N -1 0 304.318 -0.608 20 0 DBADRM CC(C)(NC(=O)CN1CCNC(=O)C1)c1cc(C(=O)[O-])on1 ZINC001590844565 1021594165 /nfs/dbraw/zinc/59/41/65/1021594165.db2.gz HOSFPMPOKWYGKN-UHFFFAOYSA-N -1 0 310.310 -0.844 20 0 DBADRM CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)[N-]OC ZINC001590828302 1021594495 /nfs/dbraw/zinc/59/44/95/1021594495.db2.gz NVCWWYHROSGNDJ-UHFFFAOYSA-N -1 0 306.282 -0.119 20 0 DBADRM CC(C)(F)C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001590827535 1021594696 /nfs/dbraw/zinc/59/46/96/1021594696.db2.gz ZRZHLODWNZWURI-RKDXNWHRSA-N -1 0 316.329 -0.465 20 0 DBADRM CC(C)(NC(=O)CSCC(N)=O)c1nocc1C(=O)[O-] ZINC001590844593 1021596022 /nfs/dbraw/zinc/59/60/22/1021596022.db2.gz XDNWQEOFXAHBJU-UHFFFAOYSA-N -1 0 301.324 -0.057 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)c(C)n1 ZINC001590818513 1021597254 /nfs/dbraw/zinc/59/72/54/1021597254.db2.gz CSVFHULHQGNKSL-UHFFFAOYSA-N -1 0 305.298 -0.632 20 0 DBADRM CC(C)(NS(=O)(=O)[C@@H]1COC[C@H]1O)c1cc(C(=O)[O-])on1 ZINC001590879287 1021598460 /nfs/dbraw/zinc/59/84/60/1021598460.db2.gz VDEYHGMDOXXBGF-HTRCEHHLSA-N -1 0 320.323 -0.713 20 0 DBADRM CCc1c(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)ccn1C ZINC001590874436 1021600217 /nfs/dbraw/zinc/60/02/17/1021600217.db2.gz NSMORAJIUKSSLJ-UHFFFAOYSA-N -1 0 315.341 -0.211 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001590880642 1021600469 /nfs/dbraw/zinc/60/04/69/1021600469.db2.gz AMUYIVLCUISLFG-UHFFFAOYSA-N -1 0 315.351 -0.276 20 0 DBADRM CC(C)(NCC(=O)N1CCNC(=O)C1)c1cc(C(=O)[O-])on1 ZINC001590866786 1021600946 /nfs/dbraw/zinc/60/09/46/1021600946.db2.gz SHRYETGLICHSDL-UHFFFAOYSA-N -1 0 310.310 -0.844 20 0 DBADRM CC(C)(NS(=O)(=O)CCC[C@H]1CCOC1)[C@@H](O)C(=O)[O-] ZINC001590874643 1021602395 /nfs/dbraw/zinc/60/23/95/1021602395.db2.gz JYBQSGATWVZGDG-UWVGGRQHSA-N -1 0 309.384 -0.053 20 0 DBADRM CC(C)(O)[C@H]1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1 ZINC001590892698 1021603970 /nfs/dbraw/zinc/60/39/70/1021603970.db2.gz IBQXGOAFOJWDQH-WDEREUQCSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)(O)CC(=O)NC[C@H](CO)Nc1ncc(C(=O)[O-])cn1 ZINC001590893588 1021604214 /nfs/dbraw/zinc/60/42/14/1021604214.db2.gz LNWQJHQHZSZYHH-SECBINFHSA-N -1 0 312.326 -0.775 20 0 DBADRM CC(C)(O)CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(C(=O)[O-])n3)C[C@H]21 ZINC001590893796 1021605737 /nfs/dbraw/zinc/60/57/37/1021605737.db2.gz PXRKGTXLONVWOZ-GDGBQDQQSA-N -1 0 320.349 -0.113 20 0 DBADRM CC(C)(O)CCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001590898490 1021605766 /nfs/dbraw/zinc/60/57/66/1021605766.db2.gz WYVFMXCUVBSIKZ-OAHLLOKOSA-N -1 0 314.382 -0.075 20 0 DBADRM CC(C)(O)CC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001590893396 1021605958 /nfs/dbraw/zinc/60/59/58/1021605958.db2.gz HJGPHJKOBXDWMA-GHMZBOCLSA-N -1 0 312.366 -0.025 20 0 DBADRM CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001590902451 1021606533 /nfs/dbraw/zinc/60/65/33/1021606533.db2.gz UYEBXWSWYDOGIR-LLVKDONJSA-N -1 0 324.333 -0.196 20 0 DBADRM CC(C)(O)CC(=O)N1CCC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001590893398 1021608207 /nfs/dbraw/zinc/60/82/07/1021608207.db2.gz HJGPHJKOBXDWMA-QWRGUYRKSA-N -1 0 312.366 -0.025 20 0 DBADRM CCc1nn(C[C@H]2CNC(=O)C2)c(=O)c(-c2nnn[n-]2)c1CC ZINC001590929584 1021609097 /nfs/dbraw/zinc/60/90/97/1021609097.db2.gz FDAPEEPEPJDCMT-MRVPVSSYSA-N -1 0 317.353 -0.316 20 0 DBADRM CC(C)C(=O)N1CC(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)C1 ZINC001590931328 1021609182 /nfs/dbraw/zinc/60/91/82/1021609182.db2.gz FMMZDQHBPMORTR-QWHCGFSZSA-N -1 0 323.393 -0.282 20 0 DBADRM CC(C)C(=O)N(C)CCOCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001590928186 1021609529 /nfs/dbraw/zinc/60/95/29/1021609529.db2.gz VTEIZEXXTYIVNY-MNOVXSKESA-N -1 0 300.355 -0.046 20 0 DBADRM CC(C)=CC(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001590912494 1021610726 /nfs/dbraw/zinc/61/07/26/1021610726.db2.gz LGTQQDDDHHWNEG-GHMZBOCLSA-N -1 0 310.350 -0.247 20 0 DBADRM CC(C)C(=O)N1CCCC[C@H]1C(=O)NCC(=O)NCC(=O)[O-] ZINC001590933592 1021610784 /nfs/dbraw/zinc/61/07/84/1021610784.db2.gz NKYXFBNIVCDKLO-JTQLQIEISA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)=CC(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O ZINC001590915277 1021611940 /nfs/dbraw/zinc/61/19/40/1021611940.db2.gz RKHLLOYYDQXOHW-MNOVXSKESA-N -1 0 306.322 -0.193 20 0 DBADRM CCc1nnc(COC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)[nH]1 ZINC001590913842 1021612417 /nfs/dbraw/zinc/61/24/17/1021612417.db2.gz JBKOXTDMWDPWHT-ZCFIWIBFSA-N -1 0 318.301 -0.557 20 0 DBADRM CCc1onc(C)c1Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC001590937929 1021614341 /nfs/dbraw/zinc/61/43/41/1021614341.db2.gz GZBMELCRJPPZTM-UHFFFAOYSA-N -1 0 317.309 -0.366 20 0 DBADRM CCn1cccc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590961021 1021615365 /nfs/dbraw/zinc/61/53/65/1021615365.db2.gz NHHVYRDFDWRWQC-UHFFFAOYSA-N -1 0 301.314 -0.290 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCc2ccnn2C)c1=O ZINC001590949896 1021617008 /nfs/dbraw/zinc/61/70/08/1021617008.db2.gz MZFYWICUYUUEFM-UHFFFAOYSA-N -1 0 316.325 -0.814 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cc(OC)no2)c1=O ZINC001590950036 1021617610 /nfs/dbraw/zinc/61/76/10/1021617610.db2.gz YMNMNEKDIDLPCG-UHFFFAOYSA-N -1 0 319.281 -0.745 20 0 DBADRM CCn1cc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)cn1 ZINC001590955228 1021617941 /nfs/dbraw/zinc/61/79/41/1021617941.db2.gz VEGPRSTVTSQDII-ZETCQYMHSA-N -1 0 302.302 -0.126 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCCN2C(=O)CNC2=O)cc1=O ZINC001521265187 1021619368 /nfs/dbraw/zinc/61/93/68/1021619368.db2.gz WVOHBIDIIVZVLT-UHFFFAOYSA-N -1 0 323.353 -0.957 20 0 DBADRM CCn1ncn([N-]C(=O)c2cc(C)c(-c3nn[nH]n3)cn2)c1=O ZINC001590971120 1021620603 /nfs/dbraw/zinc/62/06/03/1021620603.db2.gz OXMGMWSUUFCWSR-UHFFFAOYSA-N -1 0 315.297 -0.668 20 0 DBADRM CN(C)C1CN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001591010121 1021631918 /nfs/dbraw/zinc/63/19/18/1021631918.db2.gz CTAVMFBLMGJCGB-UHFFFAOYSA-N -1 0 314.396 -0.137 20 0 DBADRM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001591019498 1021635065 /nfs/dbraw/zinc/63/50/65/1021635065.db2.gz PDCLANRJHXIJRR-MFKMUULPSA-N -1 0 323.349 -0.212 20 0 DBADRM O=C(/C=C\CN1CCOCC1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001521937704 1021669702 /nfs/dbraw/zinc/66/97/02/1021669702.db2.gz IISHPZNQAUJYNY-QDOCKXBDSA-N -1 0 320.397 -0.131 20 0 DBADRM CO[N-]C(=O)CNC(=O)N(C)CC(=O)NCc1ccccc1 ZINC001522405917 1021704723 /nfs/dbraw/zinc/70/47/23/1021704723.db2.gz PPYYAZBWZKVHLO-UHFFFAOYSA-N -1 0 308.338 -0.378 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCNC(=O)CC1CC1 ZINC001522484165 1021724258 /nfs/dbraw/zinc/72/42/58/1021724258.db2.gz NLFHOVLTHZMXPP-UHFFFAOYSA-N -1 0 309.326 -0.752 20 0 DBADRM O=C(NCCNC(=O)C1CS(=O)(=O)C1)c1ccccc1O ZINC001522520883 1021747227 /nfs/dbraw/zinc/74/72/27/1021747227.db2.gz IIOBANQCEGZBDS-UHFFFAOYSA-N -1 0 312.347 -0.717 20 0 DBADRM O=C(NCCNC(=O)c1ccccc1O)C(=O)NCC1CC1 ZINC001522521949 1021749781 /nfs/dbraw/zinc/74/97/81/1021749781.db2.gz TWYLAIYADNXMHF-UHFFFAOYSA-N -1 0 305.334 -0.236 20 0 DBADRM NC(=O)[C@@H]1CC[C@H]1C(=O)NCCNC(=O)c1ccccc1O ZINC001522522023 1021749891 /nfs/dbraw/zinc/74/98/91/1021749891.db2.gz VTMDVZOLZSHBKL-NXEZZACHSA-N -1 0 305.334 -0.250 20 0 DBADRM CO[C@@H](C)C(=O)NCCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001522538278 1021764391 /nfs/dbraw/zinc/76/43/91/1021764391.db2.gz XZDHIZDBDBXWPQ-ZETCQYMHSA-N -1 0 308.294 -0.191 20 0 DBADRM O=C(CC1=CCCCC1)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001522552685 1021773048 /nfs/dbraw/zinc/77/30/48/1021773048.db2.gz KRCPKVMGRAQCTC-UHFFFAOYSA-N -1 0 323.353 -0.188 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)C[C@H]2COC(=O)C2)c1[O-] ZINC001522583229 1021802152 /nfs/dbraw/zinc/80/21/52/1021802152.db2.gz NWJWLLKIDYACBO-MRVPVSSYSA-N -1 0 310.310 -0.777 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)Cc2cnn(C)c2C)c1[O-] ZINC001522590102 1021803258 /nfs/dbraw/zinc/80/32/58/1021803258.db2.gz IYHRGTHAJMVMNW-UHFFFAOYSA-N -1 0 320.353 -0.446 20 0 DBADRM CCC1(C(=O)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001522773913 1021865311 /nfs/dbraw/zinc/86/53/11/1021865311.db2.gz UMLBTFMYPOOACW-UHFFFAOYSA-N -1 0 309.326 -0.291 20 0 DBADRM C[C@H](C(=O)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001522872394 1021893721 /nfs/dbraw/zinc/89/37/21/1021893721.db2.gz YBKAALCAIVUKDF-QMMMGPOBSA-N -1 0 311.342 -0.642 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)c2ncccn2)c1[O-] ZINC001522882539 1021895087 /nfs/dbraw/zinc/89/50/87/1021895087.db2.gz ZWZYJLUVOPYGIV-UHFFFAOYSA-N -1 0 304.310 -0.236 20 0 DBADRM Cn1cc(C(=O)NCCCNC(=O)c2ncccc2O)nn1 ZINC001522887795 1021895907 /nfs/dbraw/zinc/89/59/07/1021895907.db2.gz ABESZKGUMQZQER-UHFFFAOYSA-N -1 0 304.310 -0.534 20 0 DBADRM C[C@@]1(C(=O)NCCCNC(=O)Cn2c(=O)[n-][nH]c2=O)C=CCC1 ZINC001522972642 1021944918 /nfs/dbraw/zinc/94/49/18/1021944918.db2.gz XFTLPDAHYVCFMJ-CQSZACIVSA-N -1 0 323.353 -0.332 20 0 DBADRM CC/C(C)=C/C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001523045500 1021978006 /nfs/dbraw/zinc/97/80/06/1021978006.db2.gz MHJHPCJLTNHACN-BNICOGTQSA-N -1 0 321.337 -0.030 20 0 DBADRM CN(CCCNC(=O)c1ccco1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001523333468 1022040587 /nfs/dbraw/zinc/04/05/87/1022040587.db2.gz CPXDGWCTHIPGFV-UHFFFAOYSA-N -1 0 323.309 -0.439 20 0 DBADRM O=C(CC1CC1)N[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001524481511 1022303784 /nfs/dbraw/zinc/30/37/84/1022303784.db2.gz HFZZYCVJYXOVJU-JTQLQIEISA-N -1 0 323.353 -0.500 20 0 DBADRM C/C=C(\C)C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001524960491 1022362470 /nfs/dbraw/zinc/36/24/70/1022362470.db2.gz ZJDIZHIOYCKVEO-JGCILWHDSA-N -1 0 309.326 -0.581 20 0 DBADRM C[C@H](CNC(=O)C(C)(C)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001526329032 1022483939 /nfs/dbraw/zinc/48/39/39/1022483939.db2.gz XRAJTYJYRCNMAJ-ZCFIWIBFSA-N -1 0 303.294 -0.942 20 0 DBADRM COC[C@@H](NC(=O)c1ccc2c(c1)nc[nH]c2=O)c1nnn[n-]1 ZINC001558339871 1023955725 /nfs/dbraw/zinc/95/57/25/1023955725.db2.gz OUPOFUDPICPCRA-SNVBAGLBSA-N -1 0 315.293 -0.034 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)N3CC=C(N)N3)cc2[n-]c1=S ZINC001558401696 1023959230 /nfs/dbraw/zinc/95/92/30/1023959230.db2.gz XXKDAKZWWMYCGN-UHFFFAOYSA-N -1 0 303.347 -0.017 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCCCS(C)(=O)=O)nn1 ZINC001561675001 1024013002 /nfs/dbraw/zinc/01/30/02/1024013002.db2.gz FEIGGDUMCVXMBW-UHFFFAOYSA-N -1 0 307.397 -0.112 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC001562421514 1024020652 /nfs/dbraw/zinc/02/06/52/1024020652.db2.gz QGWDTSCTQIZMAM-UHFFFAOYSA-N -1 0 316.339 -0.558 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1ccc(-n2ccnc2)nc1 ZINC001563578929 1024028630 /nfs/dbraw/zinc/02/86/30/1024028630.db2.gz HKFBRTOMLDMYLD-UHFFFAOYSA-N -1 0 304.310 -0.256 20 0 DBADRM CCNC(=O)OC[C@H]1CCCCN1C(=O)NCC(=O)[N-]OC ZINC001565420815 1024052872 /nfs/dbraw/zinc/05/28/72/1024052872.db2.gz MUIHRCBJXAOMPG-SNVBAGLBSA-N -1 0 316.358 -0.026 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[O-] ZINC001566209365 1024151317 /nfs/dbraw/zinc/15/13/17/1024151317.db2.gz DVCKRIWNCHBNLK-XLKFXECMSA-N -1 0 321.337 -0.126 20 0 DBADRM CS(=O)(=O)c1ccc(NCC(=O)[N-]OCC(N)=O)cc1 ZINC001566980794 1024450742 /nfs/dbraw/zinc/45/07/42/1024450742.db2.gz QDBHSQCVEAHBHB-UHFFFAOYSA-N -1 0 301.324 -0.965 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)C[C@H]2CCNC2=O)ccc1[O-] ZINC001567089317 1024511398 /nfs/dbraw/zinc/51/13/98/1024511398.db2.gz BFDKQCSCTFAIQH-SSDOTTSWSA-N -1 0 313.335 -0.496 20 0 DBADRM CCN(CCNCc1ccn(C)n1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001568756880 1025004330 /nfs/dbraw/zinc/00/43/30/1025004330.db2.gz ZADKZVUZUZIQDS-UHFFFAOYSA-N -1 0 321.341 -0.732 20 0 DBADRM CCn1ccnc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001568843087 1025039019 /nfs/dbraw/zinc/03/90/19/1025039019.db2.gz HCBFTVRITQVMQD-ARJAWSKDSA-N -1 0 305.342 -0.198 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001568885125 1025065745 /nfs/dbraw/zinc/06/57/45/1025065745.db2.gz QBKKKIYEZHBRKW-TXXBHVLJSA-N -1 0 322.369 -0.669 20 0 DBADRM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C(=O)Nc1ccccc1 ZINC001569004646 1025112273 /nfs/dbraw/zinc/11/22/73/1025112273.db2.gz QBKVEKCXUWSMPH-SECBINFHSA-N -1 0 318.337 -0.257 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCCNCc2nnn(C)n2)c1[O-] ZINC001569195052 1025167190 /nfs/dbraw/zinc/16/71/90/1025167190.db2.gz GBFIMYPGJATUDI-UHFFFAOYSA-N -1 0 308.346 -0.801 20 0 DBADRM CC1(C)C(=O)N[C@H]1C1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001569486300 1025257375 /nfs/dbraw/zinc/25/73/75/1025257375.db2.gz VBPNSHUQLVDJNF-JTQLQIEISA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)NC(=Cc1ccccc1)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC001569827507 1025372941 /nfs/dbraw/zinc/37/29/41/1025372941.db2.gz QZZRWMLLWSNVSF-YFHOEESVSA-N -1 0 303.278 -0.063 20 0 DBADRM CCNC(=O)CC(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001570528767 1025642256 /nfs/dbraw/zinc/64/22/56/1025642256.db2.gz XDBRFHZHRUWVPM-JTQLQIEISA-N -1 0 324.385 -0.541 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CCC2(C1)OCCO2 ZINC001571069780 1025808692 /nfs/dbraw/zinc/80/86/92/1025808692.db2.gz QNQKACFUSCPLKW-NXEZZACHSA-N -1 0 300.311 -0.366 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CC1=O ZINC001571069112 1025809156 /nfs/dbraw/zinc/80/91/56/1025809156.db2.gz DTFQGZGSHKLTCQ-BDAKNGLRSA-N -1 0 300.311 -0.813 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1c[nH]c2ncncc12)C(=O)[O-] ZINC001571070381 1025809516 /nfs/dbraw/zinc/80/95/16/1025809516.db2.gz ZNNHJOROQLOWOM-SNVBAGLBSA-N -1 0 300.296 -0.977 20 0 DBADRM CN(C)C(=O)CN1CCCN(C(=O)CCNC(=O)[O-])CC1 ZINC001571071901 1025809749 /nfs/dbraw/zinc/80/97/49/1025809749.db2.gz CARPRZGVWLINRF-UHFFFAOYSA-N -1 0 300.359 -0.733 20 0 DBADRM COC[C@]1(CO)CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1 ZINC001571080490 1025817485 /nfs/dbraw/zinc/81/74/85/1025817485.db2.gz XAPWXPPPLOVNFS-GXTWGEPZSA-N -1 0 302.371 -0.457 20 0 DBADRM C[C@@H](NC(=O)N[C@@H]1COC[C@H]1O)C1CCN(C(=O)[O-])CC1 ZINC001571074089 1025810871 /nfs/dbraw/zinc/81/08/71/1025810871.db2.gz FUEFYYKNHMAPCF-FBIMIBRVSA-N -1 0 301.343 -0.176 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@](C)(CO)C1CC1)C(=O)[O-] ZINC001571074449 1025811199 /nfs/dbraw/zinc/81/11/99/1025811199.db2.gz LCCNTWABRQEXOQ-UPFKWVMWSA-N -1 0 301.343 -0.576 20 0 DBADRM CS(=O)(=O)CC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001571074978 1025812797 /nfs/dbraw/zinc/81/27/97/1025812797.db2.gz RBHJKXCCOWMXMS-ZETCQYMHSA-N -1 0 301.324 -0.423 20 0 DBADRM CC(=O)NCC(=O)N(CCC(=O)[O-])CC(=O)OC(C)(C)C ZINC001571076788 1025813072 /nfs/dbraw/zinc/81/30/72/1025813072.db2.gz JVLNFOBJNPTXQN-UHFFFAOYSA-N -1 0 302.327 -0.233 20 0 DBADRM CC1=NO[C@@H](CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC001571076685 1025813085 /nfs/dbraw/zinc/81/30/85/1025813085.db2.gz HICYPKRVAKSZTA-MRVPVSSYSA-N -1 0 302.312 -0.589 20 0 DBADRM CCN([C@@H]1CCNC1=O)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001571077221 1025813233 /nfs/dbraw/zinc/81/32/33/1025813233.db2.gz WZEYLSBNHVWNDI-SSDOTTSWSA-N -1 0 302.312 -0.993 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)Nc1ccon1)C(=O)[O-] ZINC001571079205 1025813344 /nfs/dbraw/zinc/81/33/44/1025813344.db2.gz ALXIDRTUVKYDKB-QUBYGPBYSA-N -1 0 303.296 -0.316 20 0 DBADRM COC[C@@H](C(N)=O)N(C)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001571076973 1025813575 /nfs/dbraw/zinc/81/35/75/1025813575.db2.gz PITROKZHGKMOLH-LPEHRKFASA-N -1 0 302.327 -0.643 20 0 DBADRM CC[C@]1(O)CCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001571075042 1025813561 /nfs/dbraw/zinc/81/35/61/1025813561.db2.gz VGJQUPLYCLPBMP-ZDUSSCGKSA-N -1 0 301.343 -0.476 20 0 DBADRM Cc1oc(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])cc1S(N)(=O)=O ZINC001571076416 1025813614 /nfs/dbraw/zinc/81/36/14/1025813614.db2.gz CTHSMGLKJDDGQI-RQJHMYQMSA-N -1 0 302.308 -0.172 20 0 DBADRM CCN([C@H]1CCNC1=O)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001571077222 1025813670 /nfs/dbraw/zinc/81/36/70/1025813670.db2.gz WZEYLSBNHVWNDI-ZETCQYMHSA-N -1 0 302.312 -0.993 20 0 DBADRM CCN1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1=O ZINC001571076822 1025813725 /nfs/dbraw/zinc/81/37/25/1025813725.db2.gz LVNTXMBNWQXTMA-LURJTMIESA-N -1 0 302.312 -0.993 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(-n2ccnc2)nn1 ZINC001571080268 1025814281 /nfs/dbraw/zinc/81/42/81/1025814281.db2.gz TYSSCQOUZMALHF-JTQLQIEISA-N -1 0 303.278 -0.412 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(Cc2cc(C(=O)[O-])no2)C1 ZINC001571079764 1025815824 /nfs/dbraw/zinc/81/58/24/1025815824.db2.gz IHQVKRSXECVVTI-QMMMGPOBSA-N -1 0 303.340 -0.256 20 0 DBADRM C[C@@H](O)CN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)[C@H](C)CO ZINC001571081025 1025816175 /nfs/dbraw/zinc/81/61/75/1025816175.db2.gz AIDXXMGGWYBLCL-WISYIIOYSA-N -1 0 303.355 -0.154 20 0 DBADRM NC(=O)c1nccnc1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001571084383 1025816342 /nfs/dbraw/zinc/81/63/42/1025816342.db2.gz BSDUMPAXGWBOJQ-RTHLEPHNSA-N -1 0 304.306 -0.098 20 0 DBADRM COCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)[C@H](C)C(N)=O ZINC001571081527 1025816514 /nfs/dbraw/zinc/81/65/14/1025816514.db2.gz KINXMOBUBJGSKB-KOLCDFICSA-N -1 0 303.359 -0.966 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Cn1ccc(=O)c2ccccc21 ZINC001571084364 1025816894 /nfs/dbraw/zinc/81/68/94/1025816894.db2.gz AXPJBGWLKVPXAL-SNVBAGLBSA-N -1 0 304.302 -0.047 20 0 DBADRM CC[C@H](NC(=O)NCCC(=O)NCCC(=O)[O-])C(C)(C)O ZINC001571081559 1025817026 /nfs/dbraw/zinc/81/70/26/1025817026.db2.gz LSQMMQOLHCZZKS-VIFPVBQESA-N -1 0 303.359 -0.184 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001571081023 1025817120 /nfs/dbraw/zinc/81/71/20/1025817120.db2.gz AIDXXMGGWYBLCL-NOOOWODRSA-N -1 0 303.355 -0.154 20 0 DBADRM C[C@H]1CN(C[C@H](O)CC2(O)CCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001571081622 1025817418 /nfs/dbraw/zinc/81/74/18/1025817418.db2.gz OXPCGNAIFACFBT-TUAOUCFPSA-N -1 0 303.355 -0.547 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1nc2ncc(CCO)cn2n1)C1CC1 ZINC001571084789 1025818569 /nfs/dbraw/zinc/81/85/69/1025818569.db2.gz OIDLOUVQWWDJPQ-SECBINFHSA-N -1 0 305.294 -0.748 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)Cc1nc2ncccn2n1 ZINC001571085172 1025818582 /nfs/dbraw/zinc/81/85/82/1025818582.db2.gz VGQAXVKYDKKZKO-LDYMZIIASA-N -1 0 305.294 -0.727 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)CCN3CCOC3=O)C[C@@H]21 ZINC001571085140 1025818637 /nfs/dbraw/zinc/81/86/37/1025818637.db2.gz MBCKCILSXTWIBW-BRPSZJMVSA-N -1 0 304.324 -0.969 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001571085484 1025818841 /nfs/dbraw/zinc/81/88/41/1025818841.db2.gz PWMQFTARQPSXAY-JKNYTWMOSA-N -1 0 304.324 -0.227 20 0 DBADRM Cn1c(=O)[nH]c2ccc(C(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])cc21 ZINC001571085254 1025818890 /nfs/dbraw/zinc/81/88/90/1025818890.db2.gz XSIWJDQZKOXEQH-LDYMZIIASA-N -1 0 305.290 -0.061 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001571086505 1025821776 /nfs/dbraw/zinc/82/17/76/1025821776.db2.gz QITSAVWRMAWLEI-HTQZYQBOSA-N -1 0 304.328 -0.884 20 0 DBADRM CN(CC(=O)[O-])C(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC001571085192 1025819026 /nfs/dbraw/zinc/81/90/26/1025819026.db2.gz VQDVVSUFIUIIPE-JTQLQIEISA-N -1 0 305.290 -0.330 20 0 DBADRM C[C@@H]1CN(C(=O)NCC2([S@@](C)=O)CC2)C[C@@H](C(=O)[O-])O1 ZINC001571085645 1025819044 /nfs/dbraw/zinc/81/90/44/1025819044.db2.gz BMWDRHSSIGIYOP-SNGHESPRSA-N -1 0 304.368 -0.219 20 0 DBADRM COc1ncc(CCNC(=O)c2cc(C(=O)[O-])nn2C)cn1 ZINC001571084764 1025819126 /nfs/dbraw/zinc/81/91/26/1025819126.db2.gz NYKPEAYYZVVRMT-UHFFFAOYSA-N -1 0 305.294 -0.111 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@H]1CNC(=O)c2ccccc21 ZINC001571084651 1025819144 /nfs/dbraw/zinc/81/91/44/1025819144.db2.gz FAUPOEUTGGRFFB-PEGZWESCSA-N -1 0 304.302 -0.392 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc2n[nH]nc2c1)C(=O)[O-] ZINC001571085121 1025819847 /nfs/dbraw/zinc/81/98/47/1025819847.db2.gz UGVXHEGVTZKZRK-BQBZGAKWSA-N -1 0 305.294 -0.335 20 0 DBADRM CC(=O)N[C@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001571086886 1025820385 /nfs/dbraw/zinc/82/03/85/1025820385.db2.gz XTRLICCTCZFOGN-JTQLQIEISA-N -1 0 304.368 -0.219 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001571086507 1025820434 /nfs/dbraw/zinc/82/04/34/1025820434.db2.gz QITSAVWRMAWLEI-SFYZADRCSA-N -1 0 304.328 -0.884 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC(=O)N1C ZINC001571086526 1025820513 /nfs/dbraw/zinc/82/05/13/1025820513.db2.gz RHEFMTQANKBXTC-BBBLOLIVSA-N -1 0 304.368 -0.268 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C1CCCC1 ZINC001571086413 1025820526 /nfs/dbraw/zinc/82/05/26/1025820526.db2.gz MVAPGMTYWWEFTB-VHSXEESVSA-N -1 0 304.368 -0.172 20 0 DBADRM C[C@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)C1N=NC(=O)N1C ZINC001571086683 1025820642 /nfs/dbraw/zinc/82/06/42/1025820642.db2.gz SZFHFGOMMIVKKS-LURJTMIESA-N -1 0 304.328 -0.492 20 0 DBADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cn1nnc(N)n1)c1ccccc1 ZINC001571085800 1025821445 /nfs/dbraw/zinc/82/14/45/1025821445.db2.gz TYEUWYUYQMWXJC-KCJUWKMLSA-N -1 0 304.310 -0.167 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CCN1CCOC1=O ZINC001571091250 1025822453 /nfs/dbraw/zinc/82/24/53/1025822453.db2.gz CCPGZJZTGGVQJY-RKDXNWHRSA-N -1 0 306.340 -0.437 20 0 DBADRM O=C(C[C@@H]1CCCS1(=O)=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001571088364 1025822556 /nfs/dbraw/zinc/82/25/56/1025822556.db2.gz XIOYGQPETDFYOW-JOYOIKCWSA-N -1 0 305.352 -0.439 20 0 DBADRM COC1(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)CS(=O)(=O)C1 ZINC001571087640 1025823175 /nfs/dbraw/zinc/82/31/75/1025823175.db2.gz HWCKOIUXRGAXCA-KWQFWETISA-N -1 0 305.352 -0.631 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@H]1CCC2(COC2)O1 ZINC001571087654 1025823279 /nfs/dbraw/zinc/82/32/79/1025823279.db2.gz ITQWAOQWTHSQRI-NXEZZACHSA-N -1 0 305.352 -0.882 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)c1ccnc(N2CCCC2)n1 ZINC001571091109 1025823299 /nfs/dbraw/zinc/82/32/99/1025823299.db2.gz AAYXDNFPVNGEQI-DEZZCRIOSA-N -1 0 306.322 -0.215 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CCO1 ZINC001571087948 1025823379 /nfs/dbraw/zinc/82/33/79/1025823379.db2.gz QCOQRCVFUSNGMS-SSDOTTSWSA-N -1 0 305.312 -0.856 20 0 DBADRM Cc1nc(C(=O)N2CC[C@H](NC(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001571092280 1025824507 /nfs/dbraw/zinc/82/45/07/1025824507.db2.gz QGVLCORJVKZMNM-ZETCQYMHSA-N -1 0 306.286 -0.824 20 0 DBADRM Cc1nccn1CCCC(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001571092935 1025824621 /nfs/dbraw/zinc/82/46/21/1025824621.db2.gz ZRONRHBKBORQJG-LLVKDONJSA-N -1 0 306.326 -0.167 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cnn2c1CCC2 ZINC001571092878 1025825021 /nfs/dbraw/zinc/82/50/21/1025825021.db2.gz XLKMHKBLLGJSQZ-NSHDSACASA-N -1 0 306.322 -0.365 20 0 DBADRM CCOC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001571091896 1025825282 /nfs/dbraw/zinc/82/52/82/1025825282.db2.gz LHEBLUCYPIOJKR-JGVFFNPUSA-N -1 0 306.340 -0.530 20 0 DBADRM NC(=O)NC1CCN(C(=O)Cc2ccc(C(=O)[O-])nc2)CC1 ZINC001571091949 1025825604 /nfs/dbraw/zinc/82/56/04/1025825604.db2.gz LWDRSBNOGQZVPA-UHFFFAOYSA-N -1 0 306.322 -0.018 20 0 DBADRM Cn1cc(C[C@H](CO)NC(=O)Cn2ccc(C(=O)[O-])n2)cn1 ZINC001571095788 1025826331 /nfs/dbraw/zinc/82/63/31/1025826331.db2.gz DIQYYKNIWQLHSO-SNVBAGLBSA-N -1 0 307.310 -0.965 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1)C(=O)[O-] ZINC001571096115 1025827472 /nfs/dbraw/zinc/82/74/72/1025827472.db2.gz HMWSICFTOAGOQL-DQDDRIPDSA-N -1 0 307.368 -0.303 20 0 DBADRM CNS(=O)(=O)CC(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001571093556 1025827591 /nfs/dbraw/zinc/82/75/91/1025827591.db2.gz QOWDBNOGPLBISZ-JTQLQIEISA-N -1 0 306.384 -0.067 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1)C(=O)[O-] ZINC001571096120 1025827749 /nfs/dbraw/zinc/82/77/49/1025827749.db2.gz HMWSICFTOAGOQL-SNXWAXQRSA-N -1 0 307.368 -0.303 20 0 DBADRM COc1c(C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])cnn1C ZINC001571096606 1025828211 /nfs/dbraw/zinc/82/82/11/1025828211.db2.gz PBZIQTALJOCVBI-ZDUSSCGKSA-N -1 0 307.310 -0.102 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])cn1 ZINC001571096572 1025828249 /nfs/dbraw/zinc/82/82/49/1025828249.db2.gz OUKNVXLXTLSBEX-GWCFXTLKSA-N -1 0 307.310 -0.690 20 0 DBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001571096980 1025828674 /nfs/dbraw/zinc/82/86/74/1025828674.db2.gz UZLMKUZJIFSQJV-SCZZXKLOSA-N -1 0 307.310 -0.522 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001571096294 1025828690 /nfs/dbraw/zinc/82/86/90/1025828690.db2.gz KRDWQDLNXOMPGJ-WVSHTKLVSA-N -1 0 307.368 -0.458 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001571097017 1025828756 /nfs/dbraw/zinc/82/87/56/1025828756.db2.gz SIHVLYUFRJDGRV-LPEHRKFASA-N -1 0 307.368 -0.052 20 0 DBADRM COC[C@@H]1COCCN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001571096510 1025828912 /nfs/dbraw/zinc/82/89/12/1025828912.db2.gz LVKMSJCSDXPQJA-MXWKQRLJSA-N -1 0 307.368 -0.083 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])cn1 ZINC001571096574 1025829121 /nfs/dbraw/zinc/82/91/21/1025829121.db2.gz OUKNVXLXTLSBEX-MFKMUULPSA-N -1 0 307.310 -0.690 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC001571096954 1025829226 /nfs/dbraw/zinc/82/92/26/1025829226.db2.gz UOSXRTWSMMIGBZ-YUMQZZPRSA-N -1 0 307.306 -0.507 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)c1ccsc1C(=O)[O-] ZINC001571096216 1025829275 /nfs/dbraw/zinc/82/92/75/1025829275.db2.gz IAONGIQLNYFMSO-LURJTMIESA-N -1 0 307.349 -0.418 20 0 DBADRM CN1CCN(S(=O)(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])CC1 ZINC001571098207 1025830148 /nfs/dbraw/zinc/83/01/48/1025830148.db2.gz OHAMTIPQILVTQI-JTQLQIEISA-N -1 0 307.416 -0.042 20 0 DBADRM COc1cc(C(=O)N2CC[C@@H]2C(=O)[O-])ccc1OCC(N)=O ZINC001571097541 1025830640 /nfs/dbraw/zinc/83/06/40/1025830640.db2.gz ACILXDOOSNJLJY-SECBINFHSA-N -1 0 308.290 -0.142 20 0 DBADRM NC(=O)c1ccc(NC(=O)NC[C@]2(C(=O)[O-])CCOC2)cn1 ZINC001571098182 1025831023 /nfs/dbraw/zinc/83/10/23/1025831023.db2.gz OEUJMJMHSYDDPN-CYBMUJFWSA-N -1 0 308.294 -0.207 20 0 DBADRM COC(=O)c1cncc(N2CCC[C@H]2C(=O)NCC(=O)[O-])n1 ZINC001571097804 1025831353 /nfs/dbraw/zinc/83/13/53/1025831353.db2.gz FFDZZBSPDVMPEF-VIFPVBQESA-N -1 0 308.294 -0.567 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)CC1(n2cnnn2)CCOCC1 ZINC001571101681 1025832075 /nfs/dbraw/zinc/83/20/75/1025832075.db2.gz FTSYCGMPZKYTAD-ZJUUUORDSA-N -1 0 309.326 -0.452 20 0 DBADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 ZINC001571100605 1025832190 /nfs/dbraw/zinc/83/21/90/1025832190.db2.gz MLYNBSQWEOOTFX-JTQLQIEISA-N -1 0 309.303 -0.229 20 0 DBADRM C[C@H](C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-])[C@H]1CCC(=O)N1 ZINC001571102078 1025833739 /nfs/dbraw/zinc/83/37/39/1025833739.db2.gz IXLQWXCJZFWJBR-RBZYPMLTSA-N -1 0 308.338 -0.243 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)NCc2nnnn2CC2CC2)C1 ZINC001571103123 1025833792 /nfs/dbraw/zinc/83/37/92/1025833792.db2.gz WYVQRMXSUGMWFX-VIFPVBQESA-N -1 0 309.330 -0.365 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])CCC1 ZINC001571102751 1025833954 /nfs/dbraw/zinc/83/39/54/1025833954.db2.gz QSIVZWDZGPXWPG-SNVBAGLBSA-N -1 0 309.340 -0.773 20 0 DBADRM C[C@H](C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-])[C@H]1CCC(=O)N1 ZINC001571102076 1025834235 /nfs/dbraw/zinc/83/42/35/1025834235.db2.gz IXLQWXCJZFWJBR-IMSIIYSGSA-N -1 0 308.338 -0.243 20 0 DBADRM CCOC(=O)[C@@H]1[C@@H]2CCN(Cc3cn(CC(=O)[O-])nn3)C[C@@H]21 ZINC001571102814 1025834550 /nfs/dbraw/zinc/83/45/50/1025834550.db2.gz PGYXIOGNCKNFCR-NTZNESFSSA-N -1 0 308.338 -0.006 20 0 DBADRM CSCc1nc(CNS(=O)(=O)C[C@H](C)C(=O)[O-])n[nH]1 ZINC001571102822 1025835116 /nfs/dbraw/zinc/83/51/16/1025835116.db2.gz PTHVLCJOVPQNGK-LURJTMIESA-N -1 0 308.385 -0.192 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)C2=CCOCC2)C1 ZINC001571103246 1025835159 /nfs/dbraw/zinc/83/51/59/1025835159.db2.gz UPLPLLCFVBLJTO-BJDJZHNGSA-N -1 0 308.334 -0.183 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@H]2CCc3nnnn3CC2)O[C@H]1C(=O)[O-] ZINC001571102618 1025835199 /nfs/dbraw/zinc/83/51/99/1025835199.db2.gz OVEBTABNSORHIG-PKIKSRDPSA-N -1 0 309.326 -0.628 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001571106299 1025835457 /nfs/dbraw/zinc/83/54/57/1025835457.db2.gz MMRMARZGJJGGGT-WCABBAIRSA-N -1 0 310.310 -0.714 20 0 DBADRM NC(=O)c1cccc(OCCC(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC001571106110 1025835615 /nfs/dbraw/zinc/83/56/15/1025835615.db2.gz IKCSRDYUTHYYCJ-NSHDSACASA-N -1 0 310.306 -0.494 20 0 DBADRM C[C@@](O)(CNC(=O)c1cc2c([nH]c1=O)CCC[C@H]2O)C(=O)[O-] ZINC001571105994 1025835866 /nfs/dbraw/zinc/83/58/66/1025835866.db2.gz CSVAIONDPHLXQS-QMTHXVAHSA-N -1 0 310.306 -0.278 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001571106132 1025836099 /nfs/dbraw/zinc/83/60/99/1025836099.db2.gz FKKVUDUMUNIGPD-KWQFWETISA-N -1 0 310.281 -0.260 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1cn(CC(=O)[O-])nn1 ZINC001571106447 1025836343 /nfs/dbraw/zinc/83/63/43/1025836343.db2.gz POPCGKNHIAANEU-HLTSFMKQSA-N -1 0 310.310 -0.132 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001571112920 1025842480 /nfs/dbraw/zinc/84/24/80/1025842480.db2.gz OHUAGGGBOPWALV-QYNIQEEDSA-N -1 0 312.244 -0.747 20 0 DBADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001571116586 1025843593 /nfs/dbraw/zinc/84/35/93/1025843593.db2.gz JTCKCSMXNMEIHW-BDAKNGLRSA-N -1 0 313.397 -0.454 20 0 DBADRM COCC(=O)NCCC(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001571107102 1025837529 /nfs/dbraw/zinc/83/75/29/1025837529.db2.gz ZMMWLOZIHFFMLV-UHFFFAOYSA-N -1 0 310.310 -0.381 20 0 DBADRM Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c(C)n1NC(N)=O ZINC001571106947 1025838056 /nfs/dbraw/zinc/83/80/56/1025838056.db2.gz XGIJEWBZQIWUEU-PSASIEDQSA-N -1 0 310.310 -0.613 20 0 DBADRM O=C(CN1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1)NC1CC1 ZINC001571107388 1025838161 /nfs/dbraw/zinc/83/81/61/1025838161.db2.gz YQCXJNRPGMEZSP-NEPJUHHUSA-N -1 0 309.366 -0.480 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)c2c(C)coc2CC(=O)[O-])C1 ZINC001571107975 1025838178 /nfs/dbraw/zinc/83/81/78/1025838178.db2.gz HKNOKQDGPMFRFY-AWEZNQCLSA-N -1 0 311.290 -0.035 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001571106708 1025838314 /nfs/dbraw/zinc/83/83/14/1025838314.db2.gz VCIBJIJNCVLOCD-SFYZADRCSA-N -1 0 310.310 -0.734 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001571108354 1025838675 /nfs/dbraw/zinc/83/86/75/1025838675.db2.gz PPCOXFBLXXRXCY-QUNWWBBNSA-N -1 0 311.269 -0.504 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@](C)(COC)CC(=O)[O-] ZINC001571111492 1025839252 /nfs/dbraw/zinc/83/92/52/1025839252.db2.gz MDPNJXZTZHDBNA-NSHDSACASA-N -1 0 311.356 -0.956 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)CCCC(=O)[O-] ZINC001571111197 1025839300 /nfs/dbraw/zinc/83/93/00/1025839300.db2.gz GMOTYMIJAISTII-SECBINFHSA-N -1 0 311.356 -0.309 20 0 DBADRM CO[C@H]1COCC[C@H]1CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001571110969 1025839579 /nfs/dbraw/zinc/83/95/79/1025839579.db2.gz ASWCFPIHGMDHSU-DLOVCJGASA-N -1 0 311.338 -0.037 20 0 DBADRM COC[C@H](CS(=O)(=O)NC1(C(=O)[O-])CCOCC1)OC ZINC001571111292 1025840190 /nfs/dbraw/zinc/84/01/90/1025840190.db2.gz IXCUBTYZWWSRPM-SECBINFHSA-N -1 0 311.356 -0.799 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001571111470 1025840213 /nfs/dbraw/zinc/84/02/13/1025840213.db2.gz LPIAEPIJSJSBEJ-YUMQZZPRSA-N -1 0 311.335 -0.868 20 0 DBADRM COc1cccnc1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001571111564 1025840277 /nfs/dbraw/zinc/84/02/77/1025840277.db2.gz AQSOTEYKUBSLGS-UHFFFAOYSA-N -1 0 312.307 -0.010 20 0 DBADRM O=C([O-])C1([C@@]2(O)CCCN(C(=O)[C@H]3COC(=O)N3)C2)CCC1 ZINC001571111878 1025840652 /nfs/dbraw/zinc/84/06/52/1025840652.db2.gz FQAGJPMGIDWWJV-YMTOWFKASA-N -1 0 312.322 -0.297 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)C2=NN(CCO)C(=O)CC2)C1 ZINC001571112686 1025841367 /nfs/dbraw/zinc/84/13/67/1025841367.db2.gz QCNDLHNWDJNLHY-VIFPVBQESA-N -1 0 312.326 -0.784 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001571112921 1025841705 /nfs/dbraw/zinc/84/17/05/1025841705.db2.gz OHUAGGGBOPWALV-VQVTYTSYSA-N -1 0 312.244 -0.747 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](CCO)CCO2 ZINC001571114817 1025841720 /nfs/dbraw/zinc/84/17/20/1025841720.db2.gz BESPTCLRYBWFKI-NWDGAFQWSA-N -1 0 312.366 -0.607 20 0 DBADRM CN(CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-])C(=O)C1CC1 ZINC001571112081 1025842045 /nfs/dbraw/zinc/84/20/45/1025842045.db2.gz XTSUEQKLZRQXPK-SNVBAGLBSA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC2(CC1)C[N@H+](CCO)CCO2 ZINC001571114816 1025842468 /nfs/dbraw/zinc/84/24/68/1025842468.db2.gz BESPTCLRYBWFKI-NEPJUHHUSA-N -1 0 312.366 -0.607 20 0 DBADRM CNC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1 ZINC001571116911 1025843765 /nfs/dbraw/zinc/84/37/65/1025843765.db2.gz ORCIZUDCAWTDAK-LMLFDSFASA-N -1 0 313.354 -0.215 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC001571118639 1025843920 /nfs/dbraw/zinc/84/39/20/1025843920.db2.gz IMFNJLRMFLVTSZ-UHFFFAOYSA-N -1 0 313.335 -0.503 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001571118502 1025844002 /nfs/dbraw/zinc/84/40/02/1025844002.db2.gz DMLOLWPCLPYXGT-IUCAKERBSA-N -1 0 313.310 -0.933 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NCC[C@@H]1CNC(=O)C1 ZINC001571118846 1025844122 /nfs/dbraw/zinc/84/41/22/1025844122.db2.gz JFHGRZKLJRDOMN-QMMMGPOBSA-N -1 0 313.335 -0.416 20 0 DBADRM Cc1nccnc1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001571118527 1025844164 /nfs/dbraw/zinc/84/41/64/1025844164.db2.gz FQURVRCQNZDNDF-VIFPVBQESA-N -1 0 313.335 -0.501 20 0 DBADRM C[S@@](=O)c1ccc(NC(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001571118913 1025845080 /nfs/dbraw/zinc/84/50/80/1025845080.db2.gz MEVCGBMDESBHGR-OAQYLSRUSA-N -1 0 313.335 -0.254 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C1CCCC1 ZINC001571118910 1025845577 /nfs/dbraw/zinc/84/55/77/1025845577.db2.gz MEJXNUXVWDVBSR-HKUMRIAESA-N -1 0 313.350 -0.451 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)CCc1noc2ccccc21 ZINC001571119432 1025845746 /nfs/dbraw/zinc/84/57/46/1025845746.db2.gz FRPDOOIFUPFRLE-JTQLQIEISA-N -1 0 314.319 -0.265 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NC[C@H](F)C(=O)[O-])c(Cl)o1 ZINC001571122720 1025846854 /nfs/dbraw/zinc/84/68/54/1025846854.db2.gz HOOISTIMCQFUFK-BYPYZUCNSA-N -1 0 314.678 -0.267 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001571122902 1025847631 /nfs/dbraw/zinc/84/76/31/1025847631.db2.gz JSLOBFZXJSLLIV-IMSIIYSGSA-N -1 0 315.322 -0.607 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CCOC[C@@H]2CC(=O)[O-])C[C@H]1C ZINC001571123517 1025847724 /nfs/dbraw/zinc/84/77/24/1025847724.db2.gz QMJOODDXANUNEU-DTHBNOIPSA-N -1 0 315.322 -0.345 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001571122859 1025847822 /nfs/dbraw/zinc/84/78/22/1025847822.db2.gz IGUOPJDJPIZFPM-KYZUINATSA-N -1 0 314.338 -0.052 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001571125505 1025848909 /nfs/dbraw/zinc/84/89/09/1025848909.db2.gz IHYOLLSWQLMQPT-LLVKDONJSA-N -1 0 315.347 -0.551 20 0 DBADRM C[C@H]1C(=O)Nc2cccc(C(=O)[O-])c2N1C(=O)Cn1ncnn1 ZINC001571126772 1025849224 /nfs/dbraw/zinc/84/92/24/1025849224.db2.gz YKYSTYCFZSZDFL-ZETCQYMHSA-N -1 0 316.277 -0.255 20 0 DBADRM O=C([O-])N1CCC(NC(=O)N2C[C@H](CO)[C@@H](CCO)C2)CC1 ZINC001571126565 1025849436 /nfs/dbraw/zinc/84/94/36/1025849436.db2.gz UNQLPKSCTOBRBX-WDEREUQCSA-N -1 0 315.370 -0.239 20 0 DBADRM C[C@@](CO)(NC(=O)CNC(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC001571125353 1025849702 /nfs/dbraw/zinc/84/97/02/1025849702.db2.gz DHGCEVWBPBHMBW-ZDUSSCGKSA-N -1 0 316.260 -0.354 20 0 DBADRM NC(=O)N[C@@H](CO)C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001571125638 1025849714 /nfs/dbraw/zinc/84/97/14/1025849714.db2.gz GZSKQEODISTKCG-QWRGUYRKSA-N -1 0 315.370 -0.197 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001571125636 1025849906 /nfs/dbraw/zinc/84/99/06/1025849906.db2.gz GZSKQEODISTKCG-GHMZBOCLSA-N -1 0 315.370 -0.197 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001571126874 1025850745 /nfs/dbraw/zinc/85/07/45/1025850745.db2.gz XYAKFHNCMBZSCB-LBPRGKRZSA-N -1 0 315.351 -0.155 20 0 DBADRM COC(=O)c1cnn(CC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)c1 ZINC001571130977 1025850907 /nfs/dbraw/zinc/85/09/07/1025850907.db2.gz NVWKRYNQVNLLAC-CBAPKCEASA-N -1 0 317.248 -0.248 20 0 DBADRM CCc1ncoc1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001571127740 1025851093 /nfs/dbraw/zinc/85/10/93/1025851093.db2.gz DCTXRXLIDMKVAA-QPUJVOFHSA-N -1 0 316.335 -0.145 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)nn1 ZINC001571126899 1025851185 /nfs/dbraw/zinc/85/11/85/1025851185.db2.gz YSZUKFXVBVLBBS-LLVKDONJSA-N -1 0 315.351 -0.369 20 0 DBADRM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001571126823 1025851354 /nfs/dbraw/zinc/85/13/54/1025851354.db2.gz VXDPTJVHBAUTAX-RNJXMRFFSA-N -1 0 315.351 -0.001 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC001571129077 1025851776 /nfs/dbraw/zinc/85/17/76/1025851776.db2.gz WXXBNDOXEQRFPZ-LBPRGKRZSA-N -1 0 316.335 -0.747 20 0 DBADRM Cn1ccc(C(=O)N2CCN(c3ncc(C(=O)[O-])cn3)CC2)n1 ZINC001571128242 1025851990 /nfs/dbraw/zinc/85/19/90/1025851990.db2.gz JEGBQPJSKQTNBU-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001571126849 1025852049 /nfs/dbraw/zinc/85/20/49/1025852049.db2.gz XJTXBCRKNNZQRJ-IEBDPFPHSA-N -1 0 315.351 -0.014 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)Cn3ccnc3)C2)n1 ZINC001571127939 1025852078 /nfs/dbraw/zinc/85/20/78/1025852078.db2.gz FDUIVUZCTHLGPF-JTQLQIEISA-N -1 0 316.321 -0.234 20 0 DBADRM CN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C(=O)[O-] ZINC001571132604 1025852827 /nfs/dbraw/zinc/85/28/27/1025852827.db2.gz DNJRYZYNJWCHJS-RKDXNWHRSA-N -1 0 317.342 -0.307 20 0 DBADRM CCO[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC001571131916 1025853222 /nfs/dbraw/zinc/85/32/22/1025853222.db2.gz YNZJAZSZXSEANQ-XWLWVQCSSA-N -1 0 316.354 -0.478 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(OCCO)CC1 ZINC001571131656 1025853280 /nfs/dbraw/zinc/85/32/80/1025853280.db2.gz OJICPEATJCLOFM-ZYHUDNBSSA-N -1 0 316.354 -0.341 20 0 DBADRM COCC(=O)NCCC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC001571131406 1025853366 /nfs/dbraw/zinc/85/33/66/1025853366.db2.gz FRNPHJBXLPDWRY-LLVKDONJSA-N -1 0 316.354 -0.379 20 0 DBADRM CCO[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC001571131913 1025853462 /nfs/dbraw/zinc/85/34/62/1025853462.db2.gz YNZJAZSZXSEANQ-MMWGEVLESA-N -1 0 316.354 -0.478 20 0 DBADRM CN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21)[C@H]1CCS(=O)(=O)C1 ZINC001571131782 1025853614 /nfs/dbraw/zinc/85/36/14/1025853614.db2.gz TZATXRSXVJPDAE-HWUMTFDVSA-N -1 0 316.379 -0.076 20 0 DBADRM CO[C@H]1COCC[C@@H]1N(C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571131692 1025853788 /nfs/dbraw/zinc/85/37/88/1025853788.db2.gz PTIRTNZMTYBUFJ-NOOOWODRSA-N -1 0 316.354 -0.079 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CSC[C@@H]2C(=O)N(C)C)O[C@H]1C(=O)[O-] ZINC001571131795 1025853796 /nfs/dbraw/zinc/85/37/96/1025853796.db2.gz UHVJTAXLYJZBBN-ZYUZMQFOSA-N -1 0 316.379 -0.146 20 0 DBADRM COC[C@H](CO)NC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001571131828 1025853821 /nfs/dbraw/zinc/85/38/21/1025853821.db2.gz UZKQELGLGVDRQI-JXJNQWLDSA-N -1 0 316.354 -0.295 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)cn1C ZINC001571131505 1025853909 /nfs/dbraw/zinc/85/39/09/1025853909.db2.gz IRCOKTIAVIOUAD-JTQLQIEISA-N -1 0 316.383 -0.635 20 0 DBADRM C[C@H](NC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)C(N)=O ZINC001571132453 1025853938 /nfs/dbraw/zinc/85/39/38/1025853938.db2.gz AIBADJBNZAVGQL-JGVFFNPUSA-N -1 0 317.342 -0.266 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NCCC2CS(=O)(=O)C2)n1 ZINC001571131804 1025853994 /nfs/dbraw/zinc/85/39/94/1025853994.db2.gz UPFCIXKCIYPCEF-UHFFFAOYSA-N -1 0 316.339 -0.476 20 0 DBADRM COCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CC(=O)N(C)C ZINC001571133229 1025854402 /nfs/dbraw/zinc/85/44/02/1025854402.db2.gz KFJJQRNBYLHYIK-ZDUSSCGKSA-N -1 0 317.386 -0.752 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CC1CN(S(C)(=O)=O)C1 ZINC001571133134 1025854792 /nfs/dbraw/zinc/85/47/92/1025854792.db2.gz KTPJUWBJUCRZAM-UHFFFAOYSA-N -1 0 317.323 -0.741 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])o2)CCO1 ZINC001571132968 1025854885 /nfs/dbraw/zinc/85/48/85/1025854885.db2.gz IRIOBQNQALGFMJ-MRVPVSSYSA-N -1 0 317.319 -0.137 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C1=CS(=O)(=O)CCC1)[C@@H]1CCOC1 ZINC001571133430 1025855378 /nfs/dbraw/zinc/85/53/78/1025855378.db2.gz NMOQQNDNWLBRHR-KOLCDFICSA-N -1 0 317.363 -0.068 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N(C)CCN(C)C(=O)[O-] ZINC001571132913 1025855749 /nfs/dbraw/zinc/85/57/49/1025855749.db2.gz HSXZRBJCLFOPGG-NXEZZACHSA-N -1 0 317.342 -0.184 20 0 DBADRM CC1(C)COC(=O)[C@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001571132800 1025855882 /nfs/dbraw/zinc/85/58/82/1025855882.db2.gz GCMQLCQXDCJHCN-SECBINFHSA-N -1 0 317.323 -0.802 20 0 DBADRM CN(C(=O)c1nc[nH]n1)[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001571133522 1025856336 /nfs/dbraw/zinc/85/63/36/1025856336.db2.gz RFLJNIPUQQUAEE-QMMMGPOBSA-N -1 0 317.309 -0.356 20 0 DBADRM COC(=O)[C@@H](COC(C)C)N(C)CCC(=O)N(C)CC(=O)[O-] ZINC001571137857 1025856601 /nfs/dbraw/zinc/85/66/01/1025856601.db2.gz NKXVDFQHAKYPLR-LLVKDONJSA-N -1 0 318.370 -0.182 20 0 DBADRM COCC(COC)S(=O)(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001571138559 1025856834 /nfs/dbraw/zinc/85/68/34/1025856834.db2.gz AJNYMPPQKAHXCI-UHFFFAOYSA-N -1 0 318.351 -0.139 20 0 DBADRM CC(C)(CNC(=O)Cn1cc(C(=O)[O-])nn1)CS(C)(=O)=O ZINC001571137449 1025857236 /nfs/dbraw/zinc/85/72/36/1025857236.db2.gz GWISIUIPUHEHNI-UHFFFAOYSA-N -1 0 318.355 -0.837 20 0 DBADRM COC(=O)[C@H]1[C@@H]2CN(S(=O)(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C[C@@H]21 ZINC001571133634 1025857310 /nfs/dbraw/zinc/85/73/10/1025857310.db2.gz RTTJBUKJMFZBQZ-XXFSISAASA-N -1 0 317.363 -0.080 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@@H]1COc2ccccc2O1 ZINC001571137999 1025857545 /nfs/dbraw/zinc/85/75/45/1025857545.db2.gz PDEKEQYCPAEGQX-SKDRFNHKSA-N -1 0 318.289 -0.313 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[C@H]2C(=O)[O-])s1 ZINC001571137870 1025857568 /nfs/dbraw/zinc/85/75/68/1025857568.db2.gz OCEQZIQQIBAAMN-SFYZADRCSA-N -1 0 318.376 -0.083 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)c1ccoc1CC(=O)[O-] ZINC001571140213 1025858695 /nfs/dbraw/zinc/85/86/95/1025858695.db2.gz QZTURIORNIXVBG-MRVPVSSYSA-N -1 0 318.351 -0.036 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001571140893 1025858721 /nfs/dbraw/zinc/85/87/21/1025858721.db2.gz UJGVKYZSDIQVFT-SKDRFNHKSA-N -1 0 318.351 -0.991 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)c1ncc[nH]1)C2 ZINC001571139365 1025858736 /nfs/dbraw/zinc/85/87/36/1025858736.db2.gz KGCZKRVCVYRNPD-UWVGGRQHSA-N -1 0 318.333 -0.195 20 0 DBADRM Cn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cn1 ZINC001571139398 1025858824 /nfs/dbraw/zinc/85/88/24/1025858824.db2.gz KMBDMLUHLJVOKN-LVEVGFFFSA-N -1 0 318.333 -0.673 20 0 DBADRM O=C([O-])Cn1cc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)nn1 ZINC001571140077 1025858833 /nfs/dbraw/zinc/85/88/33/1025858833.db2.gz ORWNUSASUMKPMZ-ZIAGYGMSSA-N -1 0 318.333 -0.013 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]21 ZINC001571139754 1025859960 /nfs/dbraw/zinc/85/99/60/1025859960.db2.gz MAPUOEQEVAPJSH-YFVNTRNASA-N -1 0 318.333 -0.754 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001571141418 1025860710 /nfs/dbraw/zinc/86/07/10/1025860710.db2.gz OSIUYQKZPNWGCC-GHMZBOCLSA-N -1 0 319.310 -0.096 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2cncnc2)C1 ZINC001571141611 1025860857 /nfs/dbraw/zinc/86/08/57/1025860857.db2.gz ZIFYBHFUUWOTFT-VGDYDELISA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)n1 ZINC001571141545 1025861283 /nfs/dbraw/zinc/86/12/83/1025861283.db2.gz XZQCQBBBXROOKV-SVDPJWKOSA-N -1 0 318.333 -0.498 20 0 DBADRM Cc1nn(CCS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c(=O)o1 ZINC001571143024 1025861648 /nfs/dbraw/zinc/86/16/48/1025861648.db2.gz HYXZDBRLXTZNQW-IONNQARKSA-N -1 0 319.339 -0.730 20 0 DBADRM Cc1nn2cccnc2c1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001571143134 1025862513 /nfs/dbraw/zinc/86/25/13/1025862513.db2.gz MGZZKUUAVYFKCR-IUCAKERBSA-N -1 0 319.321 -0.255 20 0 DBADRM CCOC1CC(O)(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001571143243 1025862844 /nfs/dbraw/zinc/86/28/44/1025862844.db2.gz PLPNRICPNJHTFL-UHFFFAOYSA-N -1 0 319.339 -0.684 20 0 DBADRM C[C@@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C1(S(C)(=O)=O)CC1 ZINC001571144097 1025863253 /nfs/dbraw/zinc/86/32/53/1025863253.db2.gz FFKXBTKPFNFMBP-ZYUZMQFOSA-N -1 0 319.379 -0.054 20 0 DBADRM C[C@]1(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CCCS1(=O)=O ZINC001571144847 1025864683 /nfs/dbraw/zinc/86/46/83/1025864683.db2.gz ZIIMOSLANQJKST-ZWNOBZJWSA-N -1 0 319.379 -0.362 20 0 DBADRM Cn1ncnc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001571144597 1025864909 /nfs/dbraw/zinc/86/49/09/1025864909.db2.gz PVQLRFMUGHSHGK-WRWGMCAJSA-N -1 0 319.365 -0.289 20 0 DBADRM CC(=O)N1CCN([C@H]2CCN(c3ncc(C(=O)[O-])cn3)C2)CC1 ZINC001571144859 1025864922 /nfs/dbraw/zinc/86/49/22/1025864922.db2.gz ZSHCDOVMQBIAPX-ZDUSSCGKSA-N -1 0 319.365 -0.082 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001571144568 1025865141 /nfs/dbraw/zinc/86/51/41/1025865141.db2.gz PBGNTRLZUAXESB-BXKDBHETSA-N -1 0 319.379 -0.505 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001571145387 1025865256 /nfs/dbraw/zinc/86/52/56/1025865256.db2.gz VHVTYNQYPMMUDI-ZITKLIBNSA-N -1 0 320.292 -0.656 20 0 DBADRM Cc1cc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n[nH]1 ZINC001571146502 1025866548 /nfs/dbraw/zinc/86/65/48/1025866548.db2.gz ZPSGZKXTSJVRCY-DMWPJOQESA-N -1 0 320.349 -0.255 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)Nc1ccc2c(c1)n(C)c(=O)n(C)c2=O ZINC001571146397 1025866618 /nfs/dbraw/zinc/86/66/18/1025866618.db2.gz WYHMXHUFYPJLHT-ZETCQYMHSA-N -1 0 320.305 -0.168 20 0 DBADRM Cn1cnc(C(=O)NC2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)c1 ZINC001571146169 1025866726 /nfs/dbraw/zinc/86/67/26/1025866726.db2.gz SNBBTBFTYHJBKE-QWRGUYRKSA-N -1 0 320.349 -0.138 20 0 DBADRM C[C@](CO)(NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccc(O)cc1 ZINC001571146500 1025866995 /nfs/dbraw/zinc/86/69/95/1025866995.db2.gz ZPLCJJDKSOZEFA-CQSZACIVSA-N -1 0 320.305 -0.294 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)c3csnn3)C2)n1 ZINC001571145823 1025867171 /nfs/dbraw/zinc/86/71/71/1025867171.db2.gz LDMZLORDEUMJMU-ZETCQYMHSA-N -1 0 320.334 -0.225 20 0 DBADRM CNC(=O)C1(NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001571149009 1025867989 /nfs/dbraw/zinc/86/79/89/1025867989.db2.gz IVDVUXMYIUEOQX-DTORHVGOSA-N -1 0 320.367 -0.936 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)Cn2cccn2)CC1 ZINC001571149074 1025868014 /nfs/dbraw/zinc/86/80/14/1025868014.db2.gz LGZZOROBSCGUNN-NEPJUHHUSA-N -1 0 320.349 -0.289 20 0 DBADRM Cc1cn2nnc(C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)c2c(=O)[nH]1 ZINC001571149688 1025868204 /nfs/dbraw/zinc/86/82/04/1025868204.db2.gz HHNQOUZPKYZHMW-JGVFFNPUSA-N -1 0 321.293 -0.954 20 0 DBADRM CC(C)N(C[C@H](O)CO)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001571149389 1025868684 /nfs/dbraw/zinc/86/86/84/1025868684.db2.gz WOUOLNCOBPFWSY-JTQLQIEISA-N -1 0 320.367 -0.524 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001571148784 1025868869 /nfs/dbraw/zinc/86/88/69/1025868869.db2.gz BFNVYTDUJFGWQR-KYXWUPHJSA-N -1 0 320.367 -0.840 20 0 DBADRM Cc1cn2nnc(C(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)c2c(=O)[nH]1 ZINC001571149690 1025868925 /nfs/dbraw/zinc/86/89/25/1025868925.db2.gz HHNQOUZPKYZHMW-YUMQZZPRSA-N -1 0 321.293 -0.954 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCCC1CS(=O)(=O)C1 ZINC001571149188 1025869020 /nfs/dbraw/zinc/86/90/20/1025869020.db2.gz PBFTYSXDYOCBOU-NXEZZACHSA-N -1 0 320.367 -0.790 20 0 DBADRM COC(=O)[C@](C)(CO)NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001571149683 1025869029 /nfs/dbraw/zinc/86/90/29/1025869029.db2.gz HCNDWKLIOUJDQO-NSHDSACASA-N -1 0 321.307 -0.511 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCOC3)C2)n1 ZINC001571149445 1025869232 /nfs/dbraw/zinc/86/92/32/1025869232.db2.gz XWSKLBMKRWUETM-DCAQKATOSA-N -1 0 320.349 -0.060 20 0 DBADRM COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc(C(=O)[O-])nn1C ZINC001571149694 1025869463 /nfs/dbraw/zinc/86/94/63/1025869463.db2.gz HJXJFUUNZMOBTC-VIFPVBQESA-N -1 0 321.293 -0.645 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1cccnc1 ZINC001571150581 1025870070 /nfs/dbraw/zinc/87/00/70/1025870070.db2.gz KIKKNXVACQIXKO-RWSFTLGLSA-N -1 0 321.333 -0.079 20 0 DBADRM Cn1nncc1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001571150785 1025870126 /nfs/dbraw/zinc/87/01/26/1025870126.db2.gz NJXBEWNBTUGIQZ-QCLAVDOMSA-N -1 0 321.337 -0.840 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001571150897 1025870569 /nfs/dbraw/zinc/87/05/69/1025870569.db2.gz NSMJURHDQJVIAV-KXUCPTDWSA-N -1 0 321.337 -0.219 20 0 DBADRM CN(C(=O)c1nc[nH]n1)C1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571150217 1025870613 /nfs/dbraw/zinc/87/06/13/1025870613.db2.gz ASKVGJOKBSCKJO-VHSXEESVSA-N -1 0 321.337 -0.412 20 0 DBADRM CN(C(=O)c1nc[nH]n1)C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571150215 1025870897 /nfs/dbraw/zinc/87/08/97/1025870897.db2.gz ASKVGJOKBSCKJO-NXEZZACHSA-N -1 0 321.337 -0.412 20 0 DBADRM CN(C(=O)c1cn[nH]n1)C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571150906 1025870935 /nfs/dbraw/zinc/87/09/35/1025870935.db2.gz NWRAYUCCCKDQMT-NXEZZACHSA-N -1 0 321.337 -0.412 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001571151001 1025871200 /nfs/dbraw/zinc/87/12/00/1025871200.db2.gz QGCMFJPDSCEKFZ-QCLAVDOMSA-N -1 0 321.337 -0.542 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001571150735 1025871336 /nfs/dbraw/zinc/87/13/36/1025871336.db2.gz LRLJCBHWMGKFPJ-UFBFGSQYSA-N -1 0 321.333 -0.328 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)N1CC[C@](F)(C(=O)[O-])C1)c2=O ZINC001571152795 1025871938 /nfs/dbraw/zinc/87/19/38/1025871938.db2.gz FUCYTFAGUQDHAD-CQSZACIVSA-N -1 0 322.296 -0.089 20 0 DBADRM COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2ncccn2)C[C@@H]1C(=O)[O-] ZINC001571152396 1025872735 /nfs/dbraw/zinc/87/27/35/1025872735.db2.gz AMOHQGHBRAYKBM-KXUCPTDWSA-N -1 0 322.321 -0.391 20 0 DBADRM Cc1cc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)no1 ZINC001571151206 1025872923 /nfs/dbraw/zinc/87/29/23/1025872923.db2.gz SINJRBDGYMRMJD-VXGBXAGGSA-N -1 0 321.333 -0.083 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1cn(C(F)(F)CO)nn1 ZINC001571154378 1025873732 /nfs/dbraw/zinc/87/37/32/1025873732.db2.gz XJLCJNPHNYZXGZ-UHFFFAOYSA-N -1 0 322.268 -0.617 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)NCc3ccc(=O)[nH]n3)C[C@H]1COCC2 ZINC001571153783 1025873797 /nfs/dbraw/zinc/87/37/97/1025873797.db2.gz RBQCOERYHAUMAF-LKFCYVNXSA-N -1 0 322.321 -0.185 20 0 DBADRM NC(=O)N1CC[C@H](CNC(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001571154375 1025873846 /nfs/dbraw/zinc/87/38/46/1025873846.db2.gz XBKDYKVNHFDKRL-SECBINFHSA-N -1 0 322.321 -0.937 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001571155673 1025874292 /nfs/dbraw/zinc/87/42/92/1025874292.db2.gz CRCDATALLAELJV-ZCFIWIBFSA-N -1 0 322.364 -0.027 20 0 DBADRM Cc1nonc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001571154204 1025874558 /nfs/dbraw/zinc/87/45/58/1025874558.db2.gz VSRCMSHITGUOPL-KYXWUPHJSA-N -1 0 322.321 -0.595 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001571153778 1025874764 /nfs/dbraw/zinc/87/47/64/1025874764.db2.gz DBRCJPKZNBPCHW-VIFPVBQESA-N -1 0 321.380 -0.361 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)NCc1ncc(C(=O)[O-])s1 ZINC001571154461 1025874776 /nfs/dbraw/zinc/87/47/76/1025874776.db2.gz LVBBRJNTKFXDCZ-ZCFIWIBFSA-N -1 0 321.380 -0.215 20 0 DBADRM COCC(=O)NCCC(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001571158375 1025875627 /nfs/dbraw/zinc/87/56/27/1025875627.db2.gz LFVJJHWFGSPFEU-GFCCVEGCSA-N -1 0 323.349 -0.406 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)CC2 ZINC001571156352 1025875708 /nfs/dbraw/zinc/87/57/08/1025875708.db2.gz SVRNSTUHOWNTAG-MFKMUULPSA-N -1 0 322.365 -0.396 20 0 DBADRM COC(=O)[C@H](CNS(=O)(=O)CCCC(=O)[O-])[C@@H]1CCOC1 ZINC001571157705 1025876252 /nfs/dbraw/zinc/87/62/52/1025876252.db2.gz APEAQOJPXFYNOL-NXEZZACHSA-N -1 0 323.367 -0.404 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCOCC1 ZINC001571155921 1025876266 /nfs/dbraw/zinc/87/62/66/1025876266.db2.gz HYGFBLQGKHANNY-KVSVUVNWSA-N -1 0 322.361 -0.293 20 0 DBADRM O=C(CN1CCCC1=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001571157751 1025876451 /nfs/dbraw/zinc/87/64/51/1025876451.db2.gz BMOYKPZAXMFIHJ-LMLFDSFASA-N -1 0 323.349 -0.907 20 0 DBADRM CN(Cc1nnn(C)n1)C1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001571156202 1025876486 /nfs/dbraw/zinc/87/64/86/1025876486.db2.gz NDIAEPYZARQYQT-QWRGUYRKSA-N -1 0 322.369 -0.646 20 0 DBADRM COC(=O)CCCS(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001571158345 1025877046 /nfs/dbraw/zinc/87/70/46/1025877046.db2.gz JYBBYTMLDYEEQN-VHSXEESVSA-N -1 0 323.367 -0.404 20 0 DBADRM O=C([O-])N1CCC(C(=O)N[C@@H](CO)[C@H](O)c2ccccn2)CC1 ZINC001571158430 1025877695 /nfs/dbraw/zinc/87/76/95/1025877695.db2.gz MMLYFQWXPDUMGQ-QWHCGFSZSA-N -1 0 323.349 -0.018 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(CCCN2CCCC2=O)CC1 ZINC001571160637 1025878223 /nfs/dbraw/zinc/87/82/23/1025878223.db2.gz CMZVGKXXZSZFKH-STQMWFEESA-N -1 0 323.393 -0.136 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)Oc1cnccc1C(=O)[O-] ZINC001571158826 1025878263 /nfs/dbraw/zinc/87/82/63/1025878263.db2.gz UWFTVOAQOGONBC-LJQANCHMSA-N -1 0 323.352 -0.022 20 0 DBADRM CC1(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCN(CC(=O)NC2CC2)CC1 ZINC001571160796 1025878385 /nfs/dbraw/zinc/87/83/85/1025878385.db2.gz HEJWUIOLRJGXKL-RYUDHWBXSA-N -1 0 323.393 -0.044 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)Nc2nc3n(c2C(=O)[O-])CCC3)CCO1 ZINC001571159629 1025878460 /nfs/dbraw/zinc/87/84/60/1025878460.db2.gz KNXYZAPEIPCLHR-ZETCQYMHSA-N -1 0 323.309 -0.755 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001571159198 1025878737 /nfs/dbraw/zinc/87/87/37/1025878737.db2.gz BSQFTHWUQAOILI-SNVBAGLBSA-N -1 0 323.305 -0.393 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(CCCN2CCCC2=O)CC1 ZINC001571160632 1025878785 /nfs/dbraw/zinc/87/87/85/1025878785.db2.gz CMZVGKXXZSZFKH-CHWSQXEVSA-N -1 0 323.393 -0.136 20 0 DBADRM COCCn1ncc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1C ZINC001571163984 1025879786 /nfs/dbraw/zinc/87/97/86/1025879786.db2.gz YKUSZTQCTWECPR-LLVKDONJSA-N -1 0 324.337 -0.747 20 0 DBADRM Cn1cc(C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])c(=O)[nH]c1=O ZINC001571163038 1025880038 /nfs/dbraw/zinc/88/00/38/1025880038.db2.gz DGWQRISYPMSPRX-QMMMGPOBSA-N -1 0 324.318 -0.632 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)[C@]3(F)CCOC3)C2)n1 ZINC001571163429 1025880192 /nfs/dbraw/zinc/88/01/92/1025880192.db2.gz LOYIVBFDEDWKIU-OTYXRUKQSA-N -1 0 324.312 -0.262 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)c1ccnc(C(=O)[O-])c1 ZINC001571163023 1025880846 /nfs/dbraw/zinc/88/08/46/1025880846.db2.gz CSCZDLFSJSTNDT-JTQLQIEISA-N -1 0 324.289 -0.186 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCc3nnnn3CC2)C[C@@H](C(=O)[O-])O1 ZINC001571166370 1025881568 /nfs/dbraw/zinc/88/15/68/1025881568.db2.gz VYIFMOZSGWWQRB-BBBLOLIVSA-N -1 0 324.341 -0.739 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCc2nnnn2CC2CC2)C1 ZINC001571165983 1025881913 /nfs/dbraw/zinc/88/19/13/1025881913.db2.gz RDCJNIKQZYLDRF-CYBMUJFWSA-N -1 0 324.341 -0.532 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2cnsn2)CC1 ZINC001571165358 1025882210 /nfs/dbraw/zinc/88/22/10/1025882210.db2.gz MGIFUAJDKMLTEP-BDAKNGLRSA-N -1 0 324.362 -0.020 20 0 DBADRM COC[C@H](CS(=O)(=O)NCc1ncc(C(=O)[O-])s1)OC ZINC001571164610 1025882403 /nfs/dbraw/zinc/88/24/03/1025882403.db2.gz CKNYHUBHRCAVQB-SSDOTTSWSA-N -1 0 324.380 -0.078 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2cnns2)C1 ZINC001571164763 1025882805 /nfs/dbraw/zinc/88/28/05/1025882805.db2.gz FDVVEPQSIGRHLU-UYXSQOIJSA-N -1 0 324.362 -0.117 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCc3nnnn3CC2)C1 ZINC001571166680 1025883191 /nfs/dbraw/zinc/88/31/91/1025883191.db2.gz ZDIQIFNCTHUFHH-TVQRCGJNSA-N -1 0 324.341 -0.737 20 0 DBADRM O=C(C[C@@H]1C=CCCC1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001571432806 1025993576 /nfs/dbraw/zinc/99/35/76/1025993576.db2.gz VXCDBJDGCSJOAS-MNOVXSKESA-N -1 0 309.370 -0.177 20 0 DBADRM CCNC(=O)CC(=O)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001571685939 1026154033 /nfs/dbraw/zinc/15/40/33/1026154033.db2.gz HCRLGZAPVNCDCY-UHFFFAOYSA-N -1 0 322.369 -0.715 20 0 DBADRM CNC(=O)CC(=O)N(C)[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001571820820 1026188044 /nfs/dbraw/zinc/18/80/44/1026188044.db2.gz DNYJLFNNSRZNNY-ZETCQYMHSA-N -1 0 311.342 -0.863 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)[C@H]2CCNC2=O)c1[O-] ZINC001572285184 1026310550 /nfs/dbraw/zinc/31/05/50/1026310550.db2.gz NIQRGAQFGDIYRE-APPZFPTMSA-N -1 0 323.353 -0.863 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@]2(C)C=CCC2)c1[O-] ZINC001572349142 1026362197 /nfs/dbraw/zinc/36/21/97/1026362197.db2.gz LAQWGUYGYBUTCI-ZUZCIYMTSA-N -1 0 322.365 -0.013 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN(C)C(=O)C2CC=CC2)c1[O-] ZINC001572466986 1026399622 /nfs/dbraw/zinc/39/96/22/1026399622.db2.gz AHUVODHOFOKWED-LLVKDONJSA-N -1 0 322.365 -0.061 20 0 DBADRM C=CS(=O)(=O)CCC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001573310478 1026548295 /nfs/dbraw/zinc/54/82/95/1026548295.db2.gz LMDRDLWRTMIBEI-HTQZYQBOSA-N -1 0 306.340 -0.971 20 0 DBADRM CC(=O)Nc1ccc(CNC(=O)c2cn(CC(=O)[O-])nn2)cn1 ZINC001573352916 1026553763 /nfs/dbraw/zinc/55/37/63/1026553763.db2.gz OPHYPLMNHBGMNH-UHFFFAOYSA-N -1 0 318.293 -0.354 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])c1cnccn1 ZINC001573362866 1026555765 /nfs/dbraw/zinc/55/57/65/1026555765.db2.gz GCTQZNNTCZGBAK-SCZZXKLOSA-N -1 0 313.335 -0.710 20 0 DBADRM C=CS(=O)(=O)CCC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001573379625 1026559743 /nfs/dbraw/zinc/55/97/43/1026559743.db2.gz PSNMKGNCHVBOHI-UHFFFAOYSA-N -1 0 306.340 -0.968 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1)n1cncn1 ZINC001573397859 1026560342 /nfs/dbraw/zinc/56/03/42/1026560342.db2.gz BPHBDJHSRJVNKA-FPVGNUTFSA-N -1 0 314.367 -0.337 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])C1 ZINC001573389585 1026561075 /nfs/dbraw/zinc/56/10/75/1026561075.db2.gz CDEXTFJCQZDNCK-XPTSAGLGSA-N -1 0 316.354 -0.788 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573401283 1026562844 /nfs/dbraw/zinc/56/28/44/1026562844.db2.gz PSVBTFMMGCPQGX-QMMMGPOBSA-N -1 0 309.326 -0.430 20 0 DBADRM CC(=O)CCCC(=O)N(C)C[C@H](C)NC(=O)CNC(=O)[O-] ZINC001573400203 1026562929 /nfs/dbraw/zinc/56/29/29/1026562929.db2.gz SKJJMAOALXWPHU-VIFPVBQESA-N -1 0 301.343 -0.024 20 0 DBADRM CC(=O)N(C)CC(=O)NCC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001573401165 1026563548 /nfs/dbraw/zinc/56/35/48/1026563548.db2.gz AQHHQEACGPIIGE-SECBINFHSA-N -1 0 323.353 -0.618 20 0 DBADRM C[C@@H](C(=O)[O-])C1CN(C(=O)CCn2cnc3c2ncnc3N)C1 ZINC001573400137 1026564216 /nfs/dbraw/zinc/56/42/16/1026564216.db2.gz ULTNKLVXLDZOQX-MRVPVSSYSA-N -1 0 318.337 -0.022 20 0 DBADRM C[C@H](C(=O)[O-])C1CN(C(=O)c2nc3ncc(CCO)cn3n2)C1 ZINC001573407828 1026564682 /nfs/dbraw/zinc/56/46/82/1026564682.db2.gz OUUZAOVXZPKKMP-QMMMGPOBSA-N -1 0 319.321 -0.548 20 0 DBADRM C[C@@H](C(=O)[O-])C1CN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001573408205 1026565010 /nfs/dbraw/zinc/56/50/10/1026565010.db2.gz VSDOLNGSTRRYBR-MRVPVSSYSA-N -1 0 302.294 -0.150 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001573407596 1026565022 /nfs/dbraw/zinc/56/50/22/1026565022.db2.gz WXDGOELQXJNULW-UHFFFAOYSA-N -1 0 318.355 -0.444 20 0 DBADRM CC(=O)N1CC[C@@H](NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001573413443 1026566699 /nfs/dbraw/zinc/56/66/99/1026566699.db2.gz FYOHPOUUZYZARR-MXWKQRLJSA-N -1 0 304.368 -0.220 20 0 DBADRM CC(=O)N1C[C@H](C)OC2(CCN(C(=O)CNC(=O)[O-])CC2)C1 ZINC001573410384 1026567659 /nfs/dbraw/zinc/56/76/59/1026567659.db2.gz NWHJYBWLPYPAHL-JTQLQIEISA-N -1 0 313.354 -0.118 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])C1 ZINC001573410904 1026567701 /nfs/dbraw/zinc/56/77/01/1026567701.db2.gz YUNLWYYFMCAEJC-IINYFYTJSA-N -1 0 314.338 -0.423 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001573411178 1026568147 /nfs/dbraw/zinc/56/81/47/1026568147.db2.gz KSRNJUDDIFNYBR-QXEWZRGKSA-N -1 0 313.354 -0.661 20 0 DBADRM CC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573413098 1026568198 /nfs/dbraw/zinc/56/81/98/1026568198.db2.gz AMZPKMBLOCWRSC-QXEWZRGKSA-N -1 0 313.354 -0.519 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001573419126 1026569178 /nfs/dbraw/zinc/56/91/78/1026569178.db2.gz YHILNSUUFPVAKC-CZUORRHYSA-N -1 0 320.345 -0.088 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H](C)CN(C)c1ncc(C(=O)[O-])cn1 ZINC001573420530 1026569262 /nfs/dbraw/zinc/56/92/62/1026569262.db2.gz COEVRLMPPPXZBC-RKDXNWHRSA-N -1 0 323.353 -0.360 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)c1ncc(C(=O)[O-])cn1 ZINC001573421952 1026569337 /nfs/dbraw/zinc/56/93/37/1026569337.db2.gz NXWLZMVDVHJLTK-IUCAKERBSA-N -1 0 323.353 -0.360 20 0 DBADRM CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)CNC(=O)[O-])C1 ZINC001573418759 1026569597 /nfs/dbraw/zinc/56/95/97/1026569597.db2.gz UMXFCONEBQNXBR-WDEREUQCSA-N -1 0 309.326 -0.882 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@H](C)CCNC(=O)CNC(=O)[O-] ZINC001573422584 1026569708 /nfs/dbraw/zinc/56/97/08/1026569708.db2.gz RWRGOUZMEUXEDY-MRVPVSSYSA-N -1 0 316.358 -0.820 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001573421774 1026570319 /nfs/dbraw/zinc/57/03/19/1026570319.db2.gz LZEMGBUFADMELS-IUCAKERBSA-N -1 0 323.353 -0.620 20 0 DBADRM CC(=O)NC1CCC(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CC1 ZINC001573426797 1026570793 /nfs/dbraw/zinc/57/07/93/1026570793.db2.gz LMXJPYDOVDKWTO-MCIGGMRASA-N -1 0 323.353 -0.458 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)[C@H]1C ZINC001573428013 1026571360 /nfs/dbraw/zinc/57/13/60/1026571360.db2.gz ONWXKKSULSWDQC-PSASIEDQSA-N -1 0 321.337 -0.866 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001573423591 1026571596 /nfs/dbraw/zinc/57/15/96/1026571596.db2.gz ZPJOPMHYJAXMNK-BDAKNGLRSA-N -1 0 323.353 -0.572 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@H](NC(=O)CNC(=O)[O-])C(C)C ZINC001573423420 1026572225 /nfs/dbraw/zinc/57/22/25/1026572225.db2.gz YJISZSUVIFTHIG-SCZZXKLOSA-N -1 0 316.358 -0.964 20 0 DBADRM CC(=O)NCC(=O)N(C)[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573427828 1026572270 /nfs/dbraw/zinc/57/22/70/1026572270.db2.gz KANFBSYXEHQSDP-QMMMGPOBSA-N -1 0 309.326 -0.430 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001573429892 1026572846 /nfs/dbraw/zinc/57/28/46/1026572846.db2.gz NBOCWSKKFSGCGY-LLVKDONJSA-N -1 0 321.337 -0.604 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001573429066 1026572875 /nfs/dbraw/zinc/57/28/75/1026572875.db2.gz BIPUTBHFHMLWBW-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001573428570 1026572961 /nfs/dbraw/zinc/57/29/61/1026572961.db2.gz YBJOADVYKKMXFB-LLVKDONJSA-N -1 0 321.337 -0.286 20 0 DBADRM CC(=O)NCC(=O)NCC[C@@H](NC(=O)CNC(=O)[O-])C(C)C ZINC001573429794 1026573226 /nfs/dbraw/zinc/57/32/26/1026573226.db2.gz MHOYNRBGLLUALA-SNVBAGLBSA-N -1 0 316.358 -0.963 20 0 DBADRM CC(=O)NCC(=O)NCC[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001573429345 1026573504 /nfs/dbraw/zinc/57/35/04/1026573504.db2.gz IDACLNVBOWOEKH-MRVPVSSYSA-N -1 0 309.326 -0.382 20 0 DBADRM CC(=O)NCC(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CCC1 ZINC001573430690 1026573609 /nfs/dbraw/zinc/57/36/09/1026573609.db2.gz VJBOUVYZYCNXDC-UHFFFAOYSA-N -1 0 321.337 -0.238 20 0 DBADRM CC(=O)NCC(=O)NCC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001573430556 1026573620 /nfs/dbraw/zinc/57/36/20/1026573620.db2.gz RYZJCBJSDCKIKC-MRVPVSSYSA-N -1 0 309.326 -0.961 20 0 DBADRM CC(=O)NCC(=O)NC[C@H](C)N(C)c1ncc(C(=O)[O-])cn1 ZINC001573431142 1026574557 /nfs/dbraw/zinc/57/45/57/1026574557.db2.gz ZBGAHWVMTHUNQX-QMMMGPOBSA-N -1 0 309.326 -0.748 20 0 DBADRM CC(=O)Nc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])nc1 ZINC001573444566 1026574962 /nfs/dbraw/zinc/57/49/62/1026574962.db2.gz XWHDPWODBBOJAH-NSHDSACASA-N -1 0 320.305 -0.545 20 0 DBADRM CC(=O)Nc1ccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)nc1 ZINC001573442969 1026575138 /nfs/dbraw/zinc/57/51/38/1026575138.db2.gz BIHHKERBQCVQFA-KOLCDFICSA-N -1 0 307.306 -0.052 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001573436199 1026575349 /nfs/dbraw/zinc/57/53/49/1026575349.db2.gz JNUJKTGDUURYHT-GHMZBOCLSA-N -1 0 311.342 -0.602 20 0 DBADRM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNC(=O)CNC(=O)[O-])C(C)C ZINC001573436350 1026575496 /nfs/dbraw/zinc/57/54/96/1026575496.db2.gz MSBOIUOAVFEPFE-GZMMTYOYSA-N -1 0 316.358 -0.964 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)CCO1 ZINC001573435137 1026575542 /nfs/dbraw/zinc/57/55/42/1026575542.db2.gz WTLLFIKFEHTGIY-SECBINFHSA-N -1 0 310.310 -0.905 20 0 DBADRM CC(=O)NCC(=O)NC[C@H](C)N(C)c1ccnc(C(=O)[O-])n1 ZINC001573430940 1026575554 /nfs/dbraw/zinc/57/55/54/1026575554.db2.gz XBTYRUYOYWAERL-QMMMGPOBSA-N -1 0 309.326 -0.748 20 0 DBADRM CC(=O)NCc1nc(CNc2ccnc(C(=O)[O-])n2)cc(=O)[nH]1 ZINC001573436655 1026575630 /nfs/dbraw/zinc/57/56/30/1026575630.db2.gz RZQKTOPNTHAOKI-UHFFFAOYSA-N -1 0 318.293 -0.660 20 0 DBADRM CC(C)(CCS(C)(=O)=O)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001573475040 1026579397 /nfs/dbraw/zinc/57/93/97/1026579397.db2.gz VGMXVMPCVKQUQM-UHFFFAOYSA-N -1 0 318.355 -0.694 20 0 DBADRM CC(C)(CNC(=O)CNC(=O)[O-])[C@H]1COCC12OCCO2 ZINC001573481740 1026579932 /nfs/dbraw/zinc/57/99/32/1026579932.db2.gz BTZBFEYKILROBH-SECBINFHSA-N -1 0 302.327 -0.214 20 0 DBADRM CC(C)(C)OC(=O)c1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])[nH]n1 ZINC001573468441 1026579954 /nfs/dbraw/zinc/57/99/54/1026579954.db2.gz LBGZXBYLYQAPJN-CYBMUJFWSA-N -1 0 313.310 -0.070 20 0 DBADRM CC(C)C1(O)CN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001573502860 1026581782 /nfs/dbraw/zinc/58/17/82/1026581782.db2.gz UREVFSAAZMENRM-UHFFFAOYSA-N -1 0 304.343 -0.484 20 0 DBADRM CC(C)(O)[C@@H](O)C(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC001573485302 1026582269 /nfs/dbraw/zinc/58/22/69/1026582269.db2.gz XLDAVCKKNJNHGF-ZDUSSCGKSA-N -1 0 311.334 -0.060 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001573492693 1026582279 /nfs/dbraw/zinc/58/22/79/1026582279.db2.gz ITZHEPCZVJZUCL-ZJUUUORDSA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC001573492939 1026582496 /nfs/dbraw/zinc/58/24/96/1026582496.db2.gz JIBPFVQNUIPHCL-UWVGGRQHSA-N -1 0 306.384 -0.070 20 0 DBADRM CC(C)C[C@](C)(CNC(=O)[C@@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC001573491306 1026582519 /nfs/dbraw/zinc/58/25/19/1026582519.db2.gz KGERRPMHADFLRZ-JOYOIKCWSA-N -1 0 306.384 -0.069 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573492912 1026582548 /nfs/dbraw/zinc/58/25/48/1026582548.db2.gz UTMVMOSWSIJCPL-ZJUUUORDSA-N -1 0 315.370 -0.367 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001573495127 1026582629 /nfs/dbraw/zinc/58/26/29/1026582629.db2.gz TXCTXNVLUXWAJU-MRVPVSSYSA-N -1 0 308.298 -0.674 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC001573490957 1026582671 /nfs/dbraw/zinc/58/26/71/1026582671.db2.gz ITBNEEWKRKXEPB-CABZTGNLSA-N -1 0 313.354 -0.628 20 0 DBADRM CC(C)N(C[C@H](O)CO)C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001573519521 1026583857 /nfs/dbraw/zinc/58/38/57/1026583857.db2.gz OCEFLQGYIJGNMM-QMMMGPOBSA-N -1 0 300.315 -0.286 20 0 DBADRM CC(C)Cn1cccc(C(=O)N(CC(N)=O)CC(=O)[O-])c1=O ZINC001573519455 1026584176 /nfs/dbraw/zinc/58/41/76/1026584176.db2.gz MRIJVLGVUGBALQ-UHFFFAOYSA-N -1 0 309.322 -0.484 20 0 DBADRM CC(C)NC(=O)CCCC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001573525301 1026584303 /nfs/dbraw/zinc/58/43/03/1026584303.db2.gz UOTADLDTMKHZQW-NXEZZACHSA-N -1 0 315.370 -0.225 20 0 DBADRM CC(C)CCC[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C(=O)[O-] ZINC001573506632 1026584568 /nfs/dbraw/zinc/58/45/68/1026584568.db2.gz SOIRGGOMEDYKHM-UMSGYPCISA-N -1 0 315.366 -0.205 20 0 DBADRM CC(C)CCC[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C(=O)[O-] ZINC001573506631 1026585069 /nfs/dbraw/zinc/58/50/69/1026585069.db2.gz SOIRGGOMEDYKHM-FDYHWXHSSA-N -1 0 315.366 -0.205 20 0 DBADRM C[C@@H](CNC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)CC(=O)[O-] ZINC001573544491 1026588680 /nfs/dbraw/zinc/58/86/80/1026588680.db2.gz OJRLBNNBUHNMSZ-BBBLOLIVSA-N -1 0 321.399 -0.337 20 0 DBADRM C[C@@H](CCC(=O)[O-])NC(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC001573541111 1026587834 /nfs/dbraw/zinc/58/78/34/1026587834.db2.gz QZAYNGHSTJIJLQ-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H](C)c1nc(C(=O)[O-])n[nH]1 ZINC001573551348 1026589183 /nfs/dbraw/zinc/58/91/83/1026589183.db2.gz SKRRDFIGLXBYHR-NTSWFWBYSA-N -1 0 304.328 -0.639 20 0 DBADRM C[C@H](CNS(=O)(=O)N=[S@](C)(=O)N(C)C)CC(=O)[O-] ZINC001573551821 1026589226 /nfs/dbraw/zinc/58/92/26/1026589226.db2.gz PKAGRTWMXYJFGM-SKLCBMLGSA-N -1 0 301.390 -0.494 20 0 DBADRM C[C@@H](CNC(=O)c1nc2ncc(CCO)cn2n1)CC(=O)[O-] ZINC001573550693 1026589379 /nfs/dbraw/zinc/58/93/79/1026589379.db2.gz HNDWKADGRJAXLY-MRVPVSSYSA-N -1 0 307.310 -0.500 20 0 DBADRM C[C@H](CNC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)CC(=O)[O-] ZINC001573544490 1026589485 /nfs/dbraw/zinc/58/94/85/1026589485.db2.gz OJRLBNNBUHNMSZ-AEJSXWLSSA-N -1 0 321.399 -0.337 20 0 DBADRM C[C@H](CNC(=O)N1CC[C@@H](CS(N)(=O)=O)C1)CC(=O)[O-] ZINC001573544645 1026589619 /nfs/dbraw/zinc/58/96/19/1026589619.db2.gz SNVKIJMPNFTHPV-DTWKUNHWSA-N -1 0 307.372 -0.583 20 0 DBADRM C[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1nc(C(=O)[O-])n[nH]1 ZINC001573559436 1026591465 /nfs/dbraw/zinc/59/14/65/1026591465.db2.gz CRIYOFNGBDQYQK-RNFRBKRXSA-N -1 0 316.339 -0.495 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1nc(C(=O)[O-])n[nH]1 ZINC001573559276 1026591807 /nfs/dbraw/zinc/59/18/07/1026591807.db2.gz CBDARPVPTFULQD-RITPCOANSA-N -1 0 302.312 -0.885 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@]1(C)CCCS1(=O)=O)C(=O)[O-] ZINC001573554058 1026592040 /nfs/dbraw/zinc/59/20/40/1026592040.db2.gz PWIFSEQIEZFJTN-UBJUHAIHSA-N -1 0 320.367 -0.952 20 0 DBADRM C[C@H](NC(=O)C1(O)CCSCC1)c1nc(C(=O)[O-])n[nH]1 ZINC001573560124 1026592066 /nfs/dbraw/zinc/59/20/66/1026592066.db2.gz PZXKRLNVVAWQJE-LURJTMIESA-N -1 0 300.340 -0.062 20 0 DBADRM C[C@@](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)(C(=O)[O-])c1ccccc1 ZINC001573560752 1026592738 /nfs/dbraw/zinc/59/27/38/1026592738.db2.gz XHAPQYQQRPUSAE-JXFSHQFZSA-N -1 0 321.329 -0.485 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCCn2ncnc21)c1nc(C(=O)[O-])n[nH]1 ZINC001573560992 1026592816 /nfs/dbraw/zinc/59/28/16/1026592816.db2.gz ZGYYZYYEUPOOKP-RNFRBKRXSA-N -1 0 305.298 -0.151 20 0 DBADRM C[C@H](NC(=O)c1cnc2n1CCOC2)c1nc(C(=O)[O-])n[nH]1 ZINC001573573763 1026592861 /nfs/dbraw/zinc/59/28/61/1026592861.db2.gz WWUMOJNGHSTTIM-LURJTMIESA-N -1 0 306.282 -0.279 20 0 DBADRM C[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])C2(COC2)C1)c1nnnn1C ZINC001573563614 1026593097 /nfs/dbraw/zinc/59/30/97/1026593097.db2.gz WKJQWRMOIUPPNL-SFYZADRCSA-N -1 0 310.314 -0.986 20 0 DBADRM C[C@@H](NC(=O)N1CCO[C@@](C)(C(=O)[O-])C1)C1N=NC(=O)N1C ZINC001573562567 1026593212 /nfs/dbraw/zinc/59/32/12/1026593212.db2.gz NIKVMMLJNIYPEE-JMCQJSRRSA-N -1 0 313.314 -0.533 20 0 DBADRM C[C@H](NC(=O)c1ccc(NC(=O)c2nnn(C)n2)cc1)C(=O)[O-] ZINC001573569205 1026593410 /nfs/dbraw/zinc/59/34/10/1026593410.db2.gz QXNMMJGDGKNCTC-ZETCQYMHSA-N -1 0 318.293 -0.335 20 0 DBADRM C[C@H](NC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)C1N=NC(=O)N1C ZINC001573563608 1026593519 /nfs/dbraw/zinc/59/35/19/1026593519.db2.gz WKGFTAATLIBDLD-UYXSQOIJSA-N -1 0 309.326 -0.056 20 0 DBADRM C[C@H](NS(=O)(=O)c1cn(C)cn1)c1nc(C(=O)[O-])n[nH]1 ZINC001573578787 1026595347 /nfs/dbraw/zinc/59/53/47/1026595347.db2.gz MTTOEVJJTYINAB-YFKPBYRVSA-N -1 0 300.300 -0.724 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12)C(=O)[O-] ZINC001573579652 1026595780 /nfs/dbraw/zinc/59/57/80/1026595780.db2.gz AHNKCSQJQMGYGI-ULKVUYOBSA-N -1 0 304.302 -0.152 20 0 DBADRM C[C@H](NS(=O)(=O)c1nncn1C)C1(C(=O)[O-])CCOCC1 ZINC001573578668 1026596200 /nfs/dbraw/zinc/59/62/00/1026596200.db2.gz KDZFIUQBCFSVMZ-QMMMGPOBSA-N -1 0 318.355 -0.637 20 0 DBADRM C[C@@H](NS(=O)(=O)C1CCC(=O)CC1)c1nc(C(=O)[O-])n[nH]1 ZINC001573578335 1026596312 /nfs/dbraw/zinc/59/63/12/1026596312.db2.gz CRRIPTRVSCMQDO-ZCFIWIBFSA-N -1 0 316.339 -0.005 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)Nc1ncc(C(=O)[O-])n1C ZINC001573581814 1026598539 /nfs/dbraw/zinc/59/85/39/1026598539.db2.gz KVYGPGCXHKUIGL-SFYZADRCSA-N -1 0 300.315 -0.286 20 0 DBADRM C[C@](CO)(NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1ccc(O)cc1 ZINC001573601564 1026600340 /nfs/dbraw/zinc/60/03/40/1026600340.db2.gz OVHUUUUOOQKKCX-SMDDNHRTSA-N -1 0 308.290 -0.055 20 0 DBADRM C[C@@]1(C(=O)NCCn2cnc(C(=O)[O-])c2)CCCS1(=O)=O ZINC001573596628 1026600527 /nfs/dbraw/zinc/60/05/27/1026600527.db2.gz JQSKLJOWGMGYHC-LBPRGKRZSA-N -1 0 315.351 -0.335 20 0 DBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCO[C@](C)(C(=O)[O-])C1 ZINC001573600279 1026600582 /nfs/dbraw/zinc/60/05/82/1026600582.db2.gz CERWFKWWYJACMP-OQPBUACISA-N -1 0 301.343 -0.229 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(C(=O)Nc2ncc(C(N)=O)s2)CCO1 ZINC001573601737 1026600669 /nfs/dbraw/zinc/60/06/69/1026600669.db2.gz QCDPHIZQPGOOFZ-NSHDSACASA-N -1 0 314.323 -0.051 20 0 DBADRM C[C@]1(C(=O)[O-])CN(C(=O)c2ccc(S(C)(=O)=O)o2)CCO1 ZINC001573601245 1026600707 /nfs/dbraw/zinc/60/07/07/1026600707.db2.gz NCAYXRWQWQGQOF-GFCCVEGCSA-N -1 0 317.319 -0.001 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(C(=O)NC2CCC(C(N)=O)CC2)CCO1 ZINC001573602741 1026601932 /nfs/dbraw/zinc/60/19/32/1026601932.db2.gz VULYMTJGWNZFIA-FDZGAKKTSA-N -1 0 313.354 -0.084 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H](C)CCC(=O)[O-] ZINC001573625857 1026603048 /nfs/dbraw/zinc/60/30/48/1026603048.db2.gz LZWDZKLSDXEKIQ-SSDOTTSWSA-N -1 0 303.340 -0.109 20 0 DBADRM C[C@]1(NC(=O)NC[C@@]2(C(=O)[O-])CCCOC2)CCOC1=O ZINC001573622282 1026603145 /nfs/dbraw/zinc/60/31/45/1026603145.db2.gz KFCFLUAZMQNPHV-STQMWFEESA-N -1 0 300.311 -0.127 20 0 DBADRM CC1=C(C(=O)N[C@@H](CC2CC2)C(=O)[O-])Cn2nnnc2N1C ZINC001573625081 1026603884 /nfs/dbraw/zinc/60/38/84/1026603884.db2.gz HLGWJBWKOZYFKQ-JTQLQIEISA-N -1 0 306.326 -0.234 20 0 DBADRM C[C@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C(=O)NC(C)(C)C ZINC001573625807 1026604055 /nfs/dbraw/zinc/60/40/55/1026604055.db2.gz ULUNZTWSFRBTOW-VIFPVBQESA-N -1 0 323.349 -0.034 20 0 DBADRM C[C@@]1(NC(=O)NC[C@@]2(C(=O)[O-])CCCOC2)CCOC1=O ZINC001573622280 1026604707 /nfs/dbraw/zinc/60/47/07/1026604707.db2.gz KFCFLUAZMQNPHV-OLZOCXBDSA-N -1 0 300.311 -0.127 20 0 DBADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)c1nnc2c(=O)[nH]ccn21 ZINC001573623907 1026604725 /nfs/dbraw/zinc/60/47/25/1026604725.db2.gz XKIBTGSEEQFVKW-HHSDFAELSA-N -1 0 305.294 -0.294 20 0 DBADRM C[C@@](O)(CNC(=O)c1cccc(N2C(=O)CCC2=O)c1)C(=O)[O-] ZINC001573632918 1026606462 /nfs/dbraw/zinc/60/64/62/1026606462.db2.gz HIJZSCPVEFAPNG-OAHLLOKOSA-N -1 0 320.301 -0.095 20 0 DBADRM C[C@H](NS(=O)(=O)N1CC[C@@H](C)C1)c1nc(C(=O)[O-])n[nH]1 ZINC001573646829 1026606479 /nfs/dbraw/zinc/60/64/79/1026606479.db2.gz VPDRCUKSROZRNP-RQJHMYQMSA-N -1 0 303.344 -0.260 20 0 DBADRM C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001573635845 1026607108 /nfs/dbraw/zinc/60/71/08/1026607108.db2.gz NIGDDTUQKBSEGN-MRVPVSSYSA-N -1 0 316.335 -0.840 20 0 DBADRM C[C@H](NS(=O)(=O)N1CC[C@H](C)C1)c1nc(C(=O)[O-])n[nH]1 ZINC001573646826 1026607114 /nfs/dbraw/zinc/60/71/14/1026607114.db2.gz VPDRCUKSROZRNP-BQBZGAKWSA-N -1 0 303.344 -0.260 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)NCc2nc(C(=O)[O-])n[nH]2)C1 ZINC001573659806 1026608484 /nfs/dbraw/zinc/60/84/84/1026608484.db2.gz HCCICDOTOSTIKQ-MRVPVSSYSA-N -1 0 309.326 -0.232 20 0 DBADRM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC001573660754 1026610169 /nfs/dbraw/zinc/61/01/69/1026610169.db2.gz LEBBDOQWIQUJSM-RNJXMRFFSA-N -1 0 310.314 -0.508 20 0 DBADRM CC[C@@H](C)C[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)C(=O)[O-] ZINC001573672538 1026613963 /nfs/dbraw/zinc/61/39/63/1026613963.db2.gz JHDQFIZDCXZADA-KOLCDFICSA-N -1 0 313.354 -0.037 20 0 DBADRM CC[C@H](C)C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C(=O)[O-] ZINC001573671586 1026614490 /nfs/dbraw/zinc/61/44/90/1026614490.db2.gz CPBFBIFEGBSNMT-UJNFCWOMSA-N -1 0 301.343 -0.628 20 0 DBADRM CC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573680070 1026618414 /nfs/dbraw/zinc/61/84/14/1026618414.db2.gz ZJPWVKUTLVWFRU-RNFRBKRXSA-N -1 0 318.355 -0.311 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NC[C@H](CO)[C@@H]1CCOC1 ZINC001573724063 1026622108 /nfs/dbraw/zinc/62/21/08/1026622108.db2.gz CTWYUPVPSHOXQA-GMTAPVOTSA-N -1 0 309.384 -0.196 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001573690376 1026620540 /nfs/dbraw/zinc/62/05/40/1026620540.db2.gz KTWMXQIREDJXTI-JTQLQIEISA-N -1 0 311.338 -0.114 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)CCCN(C)C(=O)[O-] ZINC001573699414 1026620919 /nfs/dbraw/zinc/62/09/19/1026620919.db2.gz MDNDZQDDCIQHMI-VIFPVBQESA-N -1 0 309.388 -0.180 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001573690377 1026621278 /nfs/dbraw/zinc/62/12/78/1026621278.db2.gz KTWMXQIREDJXTI-SNVBAGLBSA-N -1 0 311.338 -0.114 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N1CCC(C(=O)NCC(=O)[O-])CC1 ZINC001573701257 1026622361 /nfs/dbraw/zinc/62/23/61/1026622361.db2.gz XWEBZKQPFLPPCQ-LLVKDONJSA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cnc(N)nc1 ZINC001573710937 1026622446 /nfs/dbraw/zinc/62/24/46/1026622446.db2.gz INAVMLJJFRZVDE-SFYZADRCSA-N -1 0 300.340 -0.067 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N2CCO[C@@](C)(C(=O)[O-])C2)nn1 ZINC001573710159 1026622815 /nfs/dbraw/zinc/62/28/15/1026622815.db2.gz VUSSWKLECFHLJN-TVQRCGJNSA-N -1 0 312.326 -0.635 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CCC(C(=O)NCC(=O)[O-])CC1 ZINC001573701259 1026622818 /nfs/dbraw/zinc/62/28/18/1026622818.db2.gz XWEBZKQPFLPPCQ-NSHDSACASA-N -1 0 313.354 -0.660 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N[C@@H](C)CS(C)(=O)=O ZINC001573724079 1026622883 /nfs/dbraw/zinc/62/28/83/1026622883.db2.gz CVRBJNPKGZVCES-YUMQZZPRSA-N -1 0 301.386 -0.408 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001573701600 1026623102 /nfs/dbraw/zinc/62/31/02/1026623102.db2.gz ZFJUTTKOZPEGNV-SRVKXCTJSA-N -1 0 309.322 -0.401 20 0 DBADRM CCC1(CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)COC1 ZINC001573710466 1026623455 /nfs/dbraw/zinc/62/34/55/1026623455.db2.gz ZJQXFCWSKLXDEB-NXEZZACHSA-N -1 0 301.343 -0.317 20 0 DBADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cn1ncn2nccc2c1=O ZINC001573713010 1026623709 /nfs/dbraw/zinc/62/37/09/1026623709.db2.gz XPTWVLFXJKSEGL-UWVGGRQHSA-N -1 0 319.321 -0.397 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N1CCS(=O)(=O)CCO1 ZINC001573724227 1026623823 /nfs/dbraw/zinc/62/38/23/1026623823.db2.gz GRVNPEFMJFUUFN-QMMMGPOBSA-N -1 0 315.369 -0.769 20 0 DBADRM CCC1(CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)COC1 ZINC001573710468 1026623858 /nfs/dbraw/zinc/62/38/58/1026623858.db2.gz ZJQXFCWSKLXDEB-VHSXEESVSA-N -1 0 301.343 -0.317 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NCCn1cnccc1=O ZINC001573725376 1026625089 /nfs/dbraw/zinc/62/50/89/1026625089.db2.gz ZBJFARAIPOYGHH-VIFPVBQESA-N -1 0 303.340 -0.584 20 0 DBADRM C[C@H]1CCN(C(=O)NCC(=O)N=S(C)(C)=O)C[C@H]1C(=O)[O-] ZINC001573727029 1026624893 /nfs/dbraw/zinc/62/48/93/1026624893.db2.gz RUCHSARXKVHEHA-DTWKUNHWSA-N -1 0 319.383 -0.007 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC001573724609 1026624944 /nfs/dbraw/zinc/62/49/44/1026624944.db2.gz NPZUHVOSPVHRAY-IWSPIJDZSA-N -1 0 308.356 -0.808 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N1CCSC[C@@H]1C(N)=O ZINC001573724266 1026625221 /nfs/dbraw/zinc/62/52/21/1026625221.db2.gz HSSFTXMTBLELNV-HTQZYQBOSA-N -1 0 310.397 -0.528 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@@H](CO)Cc1cnn(C)c1 ZINC001573724787 1026625239 /nfs/dbraw/zinc/62/52/39/1026625239.db2.gz RRFFYUXTRFRWBB-GHMZBOCLSA-N -1 0 319.383 -0.504 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NCc1nnc2n1CCC2 ZINC001573724259 1026625384 /nfs/dbraw/zinc/62/53/84/1026625384.db2.gz HNDGHMXCAFYZJK-QMMMGPOBSA-N -1 0 302.356 -0.103 20 0 DBADRM CCC[C@@H](CNS(=O)(=O)c1n[nH]cc1C(=O)OC)C(=O)[O-] ZINC001573733427 1026625587 /nfs/dbraw/zinc/62/55/87/1026625587.db2.gz HSAFMWJKIZYMET-ZETCQYMHSA-N -1 0 319.339 -0.025 20 0 DBADRM CCCN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@@H](C)C(=O)[O-] ZINC001573743007 1026627178 /nfs/dbraw/zinc/62/71/78/1026627178.db2.gz OSHVSINKSOVGIE-UWVGGRQHSA-N -1 0 321.399 -0.386 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001573733906 1026628465 /nfs/dbraw/zinc/62/84/65/1026628465.db2.gz PQFHXVQXZIZTTP-YIZRAAEISA-N -1 0 316.358 -0.693 20 0 DBADRM CCC[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(=O)OC ZINC001573763287 1026628634 /nfs/dbraw/zinc/62/86/34/1026628634.db2.gz BFLFZZGKUALFDU-IUCAKERBSA-N -1 0 308.356 -0.289 20 0 DBADRM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001573777209 1026629388 /nfs/dbraw/zinc/62/93/88/1026629388.db2.gz YTNMJZNOWKENEK-ZJUUUORDSA-N -1 0 323.349 -0.034 20 0 DBADRM CCCn1cc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccncc2)nn1 ZINC001573765148 1026629988 /nfs/dbraw/zinc/62/99/88/1026629988.db2.gz XDSNQBMAIPLEIP-VXGBXAGGSA-N -1 0 319.321 0.000 20 0 DBADRM CCN1C[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)CC1=O ZINC001573776861 1026630356 /nfs/dbraw/zinc/63/03/56/1026630356.db2.gz DGAFFQLQQHJOSP-WXHSDQCUSA-N -1 0 321.333 -0.447 20 0 DBADRM CCCn1cc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)nn1 ZINC001573764806 1026630647 /nfs/dbraw/zinc/63/06/47/1026630647.db2.gz NIXNZSHEFIWVIO-VXGBXAGGSA-N -1 0 319.321 0.000 20 0 DBADRM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@H](OC)C(=O)[O-] ZINC001573776600 1026630652 /nfs/dbraw/zinc/63/06/52/1026630652.db2.gz OGAVHMJCSFAJHT-CIUDSAMLSA-N -1 0 304.368 -0.098 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001573769167 1026630672 /nfs/dbraw/zinc/63/06/72/1026630672.db2.gz DIEMZJLDJPWQPD-NEPJUHHUSA-N -1 0 300.355 -0.201 20 0 DBADRM CCN(CC(=O)N(C)CC(=O)[O-])[C@H](C)CS(=O)(=O)CC ZINC001573769627 1026630688 /nfs/dbraw/zinc/63/06/88/1026630688.db2.gz DPUFMOIVXQEWBW-SNVBAGLBSA-N -1 0 308.400 -0.326 20 0 DBADRM CCOC(=O)[C@@H](NC(=O)[C@H](O)CC(=O)[O-])c1cccc(O)c1 ZINC001573784998 1026632218 /nfs/dbraw/zinc/63/22/18/1026632218.db2.gz OLNAXGXLKYIJTD-PWSUYJOCSA-N -1 0 311.290 -0.052 20 0 DBADRM CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)[C@@H](O)CC(=O)[O-] ZINC001573785262 1026632429 /nfs/dbraw/zinc/63/24/29/1026632429.db2.gz RXTRSUOUYCZULR-UWVGGRQHSA-N -1 0 317.338 -0.171 20 0 DBADRM CCOC(=O)C1([S@](C)=O)CCN(C(=O)CNC(=O)[O-])CC1 ZINC001573784037 1026632442 /nfs/dbraw/zinc/63/24/42/1026632442.db2.gz AIYUPBUBPQCXSV-NRFANRHFSA-N -1 0 320.367 -0.443 20 0 DBADRM CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)[C@H](O)CC(=O)[O-] ZINC001573785265 1026632453 /nfs/dbraw/zinc/63/24/53/1026632453.db2.gz RXTRSUOUYCZULR-VHSXEESVSA-N -1 0 317.338 -0.171 20 0 DBADRM CCN1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H](C)C1 ZINC001573778490 1026633377 /nfs/dbraw/zinc/63/33/77/1026633377.db2.gz XTJKWGXQAHYXPG-QMMMGPOBSA-N -1 0 302.356 -0.177 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N1CCC[C@](COC)(C(=O)[O-])C1 ZINC001573785515 1026633461 /nfs/dbraw/zinc/63/34/61/1026633461.db2.gz ATJKRMZCBMOUPI-HZMBPMFUSA-N -1 0 317.338 -0.360 20 0 DBADRM CCOC(=O)[C@H]1CCCN(C(=O)Cn2ncc(C(=O)[O-])n2)C1 ZINC001573786123 1026634526 /nfs/dbraw/zinc/63/45/26/1026634526.db2.gz JBEVPLRHUKIGQV-VIFPVBQESA-N -1 0 310.310 -0.222 20 0 DBADRM CCOC(=O)C[C@@H](CO)NC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC001573786599 1026634560 /nfs/dbraw/zinc/63/45/60/1026634560.db2.gz WCIHIDQIEBASOY-YUMQZZPRSA-N -1 0 306.340 -0.530 20 0 DBADRM CCOC(=O)[C@H](C)N(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573792073 1026635919 /nfs/dbraw/zinc/63/59/19/1026635919.db2.gz QNTCRGHFPRLERZ-LURJTMIESA-N -1 0 305.312 -0.320 20 0 DBADRM CCOC(=O)c1nccc(N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001573793969 1026635982 /nfs/dbraw/zinc/63/59/82/1026635982.db2.gz SYXFMMBKGMQCEK-RKDXNWHRSA-N -1 0 310.310 -0.542 20 0 DBADRM CC[C@H](CNC(=O)N1C[C@H](C(=O)OC)C[C@H](O)C1)C(=O)[O-] ZINC001573800640 1026636848 /nfs/dbraw/zinc/63/68/48/1026636848.db2.gz TVCZNCKUCQVDEH-BBBLOLIVSA-N -1 0 302.327 -0.337 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1C[C@@H](C(=O)[O-])C2(COC2)C1 ZINC001573801000 1026636948 /nfs/dbraw/zinc/63/69/48/1026636948.db2.gz FWODUVWUIOGKRL-HBNTYKKESA-N -1 0 314.338 -0.467 20 0 DBADRM CC[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001573815327 1026637891 /nfs/dbraw/zinc/63/78/91/1026637891.db2.gz RUYHMZCBRXOOFL-KYXWUPHJSA-N -1 0 301.343 -0.169 20 0 DBADRM CC[C@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)C(=O)N1CCOCC1 ZINC001573810546 1026638015 /nfs/dbraw/zinc/63/80/15/1026638015.db2.gz NDMWTQNHAGJINY-QMMMGPOBSA-N -1 0 310.310 -0.525 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)c1cc(C(=O)[O-])nn1C ZINC001573809826 1026638325 /nfs/dbraw/zinc/63/83/25/1026638325.db2.gz WNPIAGKSJBHTMD-ZETCQYMHSA-N -1 0 318.355 -0.824 20 0 DBADRM CC[C@@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)C(=O)N1CCOCC1 ZINC001573810545 1026638573 /nfs/dbraw/zinc/63/85/73/1026638573.db2.gz NDMWTQNHAGJINY-MRVPVSSYSA-N -1 0 310.310 -0.525 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001573807606 1026639263 /nfs/dbraw/zinc/63/92/63/1026639263.db2.gz PNCWHTXFIWFCJT-MRVPVSSYSA-N -1 0 314.385 -0.476 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)NCc1cc(C(=O)[O-])no1 ZINC001573807364 1026639638 /nfs/dbraw/zinc/63/96/38/1026639638.db2.gz ILSILCRDOCNSQD-UHFFFAOYSA-N -1 0 319.339 -0.051 20 0 DBADRM CCn1nncc1C(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001573849983 1026640551 /nfs/dbraw/zinc/64/05/51/1026640551.db2.gz BGWPBOMUDHSEFH-NRFANRHFSA-N -1 0 314.367 -0.264 20 0 DBADRM CCn1cc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccncc2)nn1 ZINC001573845076 1026640928 /nfs/dbraw/zinc/64/09/28/1026640928.db2.gz WJAAVFRIBMWRPF-WDEREUQCSA-N -1 0 305.294 -0.390 20 0 DBADRM CCc1ncc(C(=O)[O-])c(N2CC[C@H](CS(N)(=O)=O)C2)n1 ZINC001573836981 1026641101 /nfs/dbraw/zinc/64/11/01/1026641101.db2.gz AAPMQTHYCQMURV-QMMMGPOBSA-N -1 0 314.367 -0.148 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)N2C[C@@H](O)C[C@@]2(C)CO)n1 ZINC001573846227 1026641139 /nfs/dbraw/zinc/64/11/39/1026641139.db2.gz BHVGSXISRRVKDC-SDBXPKJASA-N -1 0 312.326 -0.049 20 0 DBADRM CC[C@H]1CN(S(=O)(=O)N2CCOCC2)C[C@]1(F)C(=O)[O-] ZINC001573826937 1026641268 /nfs/dbraw/zinc/64/12/68/1026641268.db2.gz XGBZMQAKKASHRF-GXSJLCMTSA-N -1 0 310.347 -0.302 20 0 DBADRM CN(C)C(=O)COc1cccc(NC(=O)[C@H](O)CC(=O)[O-])c1 ZINC001573858737 1026642671 /nfs/dbraw/zinc/64/26/71/1026642671.db2.gz IMBJDONGUZZDNB-LLVKDONJSA-N -1 0 310.306 -0.072 20 0 DBADRM CN(C(=O)CCNS(C)(=O)=O)c1ncc(CC(=O)[O-])s1 ZINC001573852027 1026642945 /nfs/dbraw/zinc/64/29/45/1026642945.db2.gz HBXYCXHEBQBZSF-UHFFFAOYSA-N -1 0 321.380 -0.328 20 0 DBADRM CN(C)C(=O)NCCN(C)C(=O)NCc1cc(C(=O)[O-])no1 ZINC001573858822 1026643007 /nfs/dbraw/zinc/64/30/07/1026643007.db2.gz JUEDZEOSNCEWGE-UHFFFAOYSA-N -1 0 313.314 -0.215 20 0 DBADRM CCn1nnc(C)c1CN1CCOC[C@@H]1C(=O)NCC(=O)[O-] ZINC001573850493 1026643122 /nfs/dbraw/zinc/64/31/22/1026643122.db2.gz KDLZHRAKCPJZHV-LLVKDONJSA-N -1 0 311.342 -0.992 20 0 DBADRM CN(CC(=O)N(C)[C@H](C(=O)[O-])c1cccnc1)S(C)(=O)=O ZINC001573853094 1026643292 /nfs/dbraw/zinc/64/32/92/1026643292.db2.gz WDSKBHISHQDHAL-NSHDSACASA-N -1 0 315.351 -0.443 20 0 DBADRM CN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@H](C(=O)[O-])c1cccnc1 ZINC001573851304 1026643583 /nfs/dbraw/zinc/64/35/83/1026643583.db2.gz UQIRPZNAWWFWCU-UWVGGRQHSA-N -1 0 313.335 -0.643 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC001573852740 1026643735 /nfs/dbraw/zinc/64/37/35/1026643735.db2.gz PZORIRNMIUYYSG-UHFFFAOYSA-N -1 0 321.399 -0.131 20 0 DBADRM CN(C1(C(=O)[O-])CCCCC1)S(=O)(=O)[C@@H]1COC[C@H]1O ZINC001573864688 1026644604 /nfs/dbraw/zinc/64/46/04/1026644604.db2.gz ATMOBSFSTZUZSC-NXEZZACHSA-N -1 0 307.368 -0.205 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@@H](CC(=O)[O-])c1ccncc1 ZINC001573863672 1026645378 /nfs/dbraw/zinc/64/53/78/1026645378.db2.gz INIDRAAAIZQILJ-JTQLQIEISA-N -1 0 315.351 -0.395 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)c1cc(C(N)=O)ncn1 ZINC001573864574 1026645997 /nfs/dbraw/zinc/64/59/97/1026645997.db2.gz JNOMAOTYGHNVNA-UHFFFAOYSA-N -1 0 321.337 -0.665 20 0 DBADRM CN(C)c1noc(CNC(=O)N2CCO[C@](C)(C(=O)[O-])C2)n1 ZINC001573865595 1026646971 /nfs/dbraw/zinc/64/69/71/1026646971.db2.gz NOPCRFYXYFLOLJ-LBPRGKRZSA-N -1 0 313.314 -0.479 20 0 DBADRM CN(CC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-])S(C)(=O)=O ZINC001573865169 1026647321 /nfs/dbraw/zinc/64/73/21/1026647321.db2.gz SHESTIGDJCMJLK-BDAKNGLRSA-N -1 0 308.356 -0.984 20 0 DBADRM CN(CCCC(=O)NCC(C)(C)CS(N)(=O)=O)C(=O)[O-] ZINC001573869814 1026647798 /nfs/dbraw/zinc/64/77/98/1026647798.db2.gz AUEHBFRYWNWKSN-UHFFFAOYSA-N -1 0 309.388 -0.193 20 0 DBADRM CN(CC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccnc1)C(=O)C1CC1 ZINC001573865349 1026647878 /nfs/dbraw/zinc/64/78/78/1026647878.db2.gz VDRHNQOSGRCMLO-CHWSQXEVSA-N -1 0 321.333 -0.447 20 0 DBADRM CN(CCCC(=O)NC[C@@]1(OCCO)CCOC1)C(=O)[O-] ZINC001573870147 1026647968 /nfs/dbraw/zinc/64/79/68/1026647968.db2.gz HDONRLKBXDZNAV-ZDUSSCGKSA-N -1 0 304.343 -0.339 20 0 DBADRM CN(CCc1ccccn1)C(=O)CNC(=O)[C@H](O)CC(=O)[O-] ZINC001573873178 1026649242 /nfs/dbraw/zinc/64/92/42/1026649242.db2.gz ZQWRWWOCDZRDSG-LLVKDONJSA-N -1 0 309.322 -0.966 20 0 DBADRM CN(C[C@H](O)CO)C(=O)Nc1ccn2ncc(C(=O)[O-])c2c1 ZINC001573876479 1026649323 /nfs/dbraw/zinc/64/93/23/1026649323.db2.gz HTTLULARLCTIEF-VIFPVBQESA-N -1 0 308.294 -0.151 20 0 DBADRM CN(Cc1nnc2c(=O)n(C)ccn12)C(=O)CCNC(=O)[O-] ZINC001573877120 1026649477 /nfs/dbraw/zinc/64/94/77/1026649477.db2.gz DJMZSRNYDHGEEA-UHFFFAOYSA-N -1 0 308.298 -0.956 20 0 DBADRM CN1CCN(C(=O)c2ccnc3c(C(=O)[O-])cnn32)C[C@H]1CO ZINC001573884323 1026649711 /nfs/dbraw/zinc/64/97/11/1026649711.db2.gz CPJAAGCJEUMOHI-VIFPVBQESA-N -1 0 319.321 -0.824 20 0 DBADRM CCN1C[C@H](C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)CC1=O ZINC001573883559 1026650876 /nfs/dbraw/zinc/65/08/76/1026650876.db2.gz FPQZIGHLCJCMOZ-MRVPVSSYSA-N -1 0 322.321 -0.082 20 0 DBADRM CN(CCc1ncon1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001573876832 1026651236 /nfs/dbraw/zinc/65/12/36/1026651236.db2.gz UEHIBEIFRXDIMT-QMMMGPOBSA-N -1 0 304.328 -0.662 20 0 DBADRM CCOC(=O)[C@](C)(O)CNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001573888513 1026652169 /nfs/dbraw/zinc/65/21/69/1026652169.db2.gz YJYPKPUQXNAVLF-GPCCPHFNSA-N -1 0 317.338 -0.313 20 0 DBADRM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573889151 1026653455 /nfs/dbraw/zinc/65/34/55/1026653455.db2.gz CLKIIWYDLWZHHN-POYBYMJQSA-N -1 0 316.339 -0.699 20 0 DBADRM CNC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC001573889967 1026654547 /nfs/dbraw/zinc/65/45/47/1026654547.db2.gz FFJOYTPDZLVJTM-RKDXNWHRSA-N -1 0 316.383 -0.041 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1c1ncc(C(=O)[O-])c(C)n1 ZINC001573890027 1026654721 /nfs/dbraw/zinc/65/47/21/1026654721.db2.gz ICXFDOCAFHBQBG-VIFPVBQESA-N -1 0 309.326 -0.383 20 0 DBADRM CNC(=O)N[C@@H]1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001573890181 1026654853 /nfs/dbraw/zinc/65/48/53/1026654853.db2.gz KAUGHDKZDOGSIU-MRVPVSSYSA-N -1 0 305.356 -0.673 20 0 DBADRM CNC(=O)N[C@H]1CCN(C(=O)Nc2ncc(C(=O)[O-])n2C)C1 ZINC001573890005 1026655357 /nfs/dbraw/zinc/65/53/57/1026655357.db2.gz HIZCGSRBRPISHE-ZETCQYMHSA-N -1 0 310.314 -0.347 20 0 DBADRM CC(C)(F)C(=O)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573906501 1026657022 /nfs/dbraw/zinc/65/70/22/1026657022.db2.gz ROPIIJVUFWINTK-MRVPVSSYSA-N -1 0 320.332 -0.161 20 0 DBADRM COC(=O)[C@@H](CCC1OCCO1)NC(=O)CCNC(=O)[O-] ZINC001573906963 1026657077 /nfs/dbraw/zinc/65/70/77/1026657077.db2.gz IIPWALPZUMUTNW-MRVPVSSYSA-N -1 0 304.299 -0.545 20 0 DBADRM CCOC(=O)[C@H]1CCCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001573894571 1026657380 /nfs/dbraw/zinc/65/73/80/1026657380.db2.gz GVDRRGJCCHNNQD-SNVBAGLBSA-N -1 0 310.310 -0.080 20 0 DBADRM CNC(=O)c1ccc(C(=O)N[C@@H](C)c2nc(C(=O)[O-])n[nH]2)cn1 ZINC001573896155 1026657444 /nfs/dbraw/zinc/65/74/44/1026657444.db2.gz GGFLNQLMMUQHKJ-LURJTMIESA-N -1 0 318.293 -0.252 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC001573906941 1026657543 /nfs/dbraw/zinc/65/75/43/1026657543.db2.gz HMADORQOORAZCF-MNOVXSKESA-N -1 0 310.306 -0.485 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)N2CC([C@H](F)C(=O)[O-])C2)cn1 ZINC001573890885 1026658144 /nfs/dbraw/zinc/65/81/44/1026658144.db2.gz YDCDTHUGXSCJDN-JTQLQIEISA-N -1 0 313.289 -0.485 20 0 DBADRM CCOC(=O)[C@H](COC)NC(=O)C1(C(=O)[O-])CCOCC1 ZINC001573901166 1026658344 /nfs/dbraw/zinc/65/83/44/1026658344.db2.gz OCMFTQRQLQLEAK-VIFPVBQESA-N -1 0 303.311 -0.438 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)c2cn(CC(=O)[O-])nn2)[C@]12CCCO2 ZINC001573911874 1026659161 /nfs/dbraw/zinc/65/91/61/1026659161.db2.gz UTSPOTZKVUROFC-MISXGVKJSA-N -1 0 324.337 -0.181 20 0 DBADRM COC(=O)[C@@H](C[C@@H]1CCCO1)NCC(=O)N(C)CC(=O)[O-] ZINC001573907856 1026659510 /nfs/dbraw/zinc/65/95/10/1026659510.db2.gz RTFHTFMUPRYZMR-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001573928875 1026667993 /nfs/dbraw/zinc/66/79/93/1026667993.db2.gz OBIDOIOLLLRKOP-UHFFFAOYSA-N -1 0 301.324 0.000 20 0 DBADRM CNc1nc(C)cc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001573909665 1026659761 /nfs/dbraw/zinc/65/97/61/1026659761.db2.gz BQAYLYYBJGPQDR-PSASIEDQSA-N -1 0 309.326 -0.473 20 0 DBADRM COC(=O)[C@@H](Cc1ccccc1)NCC(=O)N(C)CC(=O)[O-] ZINC001573907929 1026659799 /nfs/dbraw/zinc/65/97/99/1026659799.db2.gz SOIBHRJTQRXQQJ-GFCCVEGCSA-N -1 0 308.334 -0.097 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001573910039 1026659863 /nfs/dbraw/zinc/65/98/63/1026659863.db2.gz GHNMSRKJRZOVDO-GFCCVEGCSA-N -1 0 315.351 -0.844 20 0 DBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](O)CC(=O)[O-])c1 ZINC001573909705 1026659970 /nfs/dbraw/zinc/65/99/70/1026659970.db2.gz BTXBIXPZVXYVOQ-JTQLQIEISA-N -1 0 316.335 -0.323 20 0 DBADRM COC(=O)[C@H](CCC1OCCO1)NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001573908232 1026660010 /nfs/dbraw/zinc/66/00/10/1026660010.db2.gz VJPQHAGFRNEDCI-HLTSFMKQSA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)[C@H]1CN(C)C(=O)CN1Cc1nc(C(=O)[O-])cs1 ZINC001573914316 1026661641 /nfs/dbraw/zinc/66/16/41/1026661641.db2.gz IHNDQVFJYJREHN-MRVPVSSYSA-N -1 0 313.335 -0.343 20 0 DBADRM COC(=O)C[C@@](C)(NC(=O)[C@@H](O)CC(=O)[O-])c1cccnc1 ZINC001573914154 1026661947 /nfs/dbraw/zinc/66/19/47/1026661947.db2.gz FYUQRYNUFBDXQV-IINYFYTJSA-N -1 0 310.306 -0.188 20 0 DBADRM COC(=O)[C@H]1[C@H](O)CCCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001573915857 1026662680 /nfs/dbraw/zinc/66/26/80/1026662680.db2.gz KVBJAYAWLJUHII-RKDXNWHRSA-N -1 0 321.351 -0.678 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(C(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001573916431 1026662990 /nfs/dbraw/zinc/66/29/90/1026662990.db2.gz RPLQWFDBUHZOEN-JTQLQIEISA-N -1 0 312.278 -0.241 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001573915020 1026663302 /nfs/dbraw/zinc/66/33/02/1026663302.db2.gz DXHJBJOQYIDOEQ-DTWKUNHWSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)c2cnc(C(=O)[O-])s2)C1 ZINC001573915377 1026663420 /nfs/dbraw/zinc/66/34/20/1026663420.db2.gz GQVXADZHVRPNLA-LLVKDONJSA-N -1 0 300.292 -0.409 20 0 DBADRM COC(=O)[C@@]1(CNS(=O)(=O)C2(C(=O)[O-])CCC2)CCOC1 ZINC001573916870 1026663500 /nfs/dbraw/zinc/66/35/00/1026663500.db2.gz ZICZXYSRTYWLRU-LLVKDONJSA-N -1 0 321.351 -0.507 20 0 DBADRM COC(=O)C1(NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCC1 ZINC001573916747 1026663598 /nfs/dbraw/zinc/66/35/98/1026663598.db2.gz XBKOJFUNZZSWLX-UHFFFAOYSA-N -1 0 303.296 -0.518 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1 ZINC001573915045 1026663780 /nfs/dbraw/zinc/66/37/80/1026663780.db2.gz FPCBLMLXGQDWTP-GMTAPVOTSA-N -1 0 312.322 -0.275 20 0 DBADRM COC(=O)C[C@H](C)NS(=O)(=O)N1CCN(C(=O)[O-])CC1 ZINC001573922269 1026664852 /nfs/dbraw/zinc/66/48/52/1026664852.db2.gz JACYSHOKDPZXRH-QMMMGPOBSA-N -1 0 309.344 -0.932 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](CSC)C(=O)[O-] ZINC001573921866 1026665856 /nfs/dbraw/zinc/66/58/56/1026665856.db2.gz RWHFXKKDTRBYOA-SSDOTTSWSA-N -1 0 314.385 -0.868 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573931061 1026666793 /nfs/dbraw/zinc/66/67/93/1026666793.db2.gz RVPVABCPLZCIRJ-XSPKLOCKSA-N -1 0 300.311 -0.720 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573930214 1026667602 /nfs/dbraw/zinc/66/76/02/1026667602.db2.gz HHYRVHWNUJBYBP-RQJHMYQMSA-N -1 0 317.323 -0.354 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573931056 1026667891 /nfs/dbraw/zinc/66/78/91/1026667891.db2.gz RVPVABCPLZCIRJ-RYPBNFRJSA-N -1 0 300.311 -0.720 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC001573930260 1026667945 /nfs/dbraw/zinc/66/79/45/1026667945.db2.gz JHKXBPMSSIRMOO-BBBLOLIVSA-N -1 0 320.367 0.000 20 0 DBADRM COC(=O)c1cc(C)nc(N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001573939112 1026668718 /nfs/dbraw/zinc/66/87/18/1026668718.db2.gz TVABYAZNXXDCFZ-SCZZXKLOSA-N -1 0 310.310 -0.046 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)n[nH]1 ZINC001573937657 1026668823 /nfs/dbraw/zinc/66/88/23/1026668823.db2.gz CALJKYAZKJYGOX-ZETCQYMHSA-N -1 0 317.323 -0.318 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N[C@@H]2CCN(C(=O)[O-])C2)C[C@H]1C ZINC001573935180 1026668943 /nfs/dbraw/zinc/66/89/43/1026668943.db2.gz OUYFOKJOOWONQU-ZYUZMQFOSA-N -1 0 300.311 -0.179 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC001573935393 1026669190 /nfs/dbraw/zinc/66/91/90/1026669190.db2.gz NYURRLKGPUKRBB-LDYMZIIASA-N -1 0 308.290 -0.163 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001573938371 1026669273 /nfs/dbraw/zinc/66/92/73/1026669273.db2.gz MJCCNULQJVJSEV-ZCFIWIBFSA-N -1 0 303.296 -0.709 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC001573935435 1026670152 /nfs/dbraw/zinc/67/01/52/1026670152.db2.gz QIRYQZFZKMXPIT-HLTSFMKQSA-N -1 0 306.340 -0.390 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNS(=O)(=O)C1(CC(=O)[O-])CC1 ZINC001573935362 1026670228 /nfs/dbraw/zinc/67/02/28/1026670228.db2.gz SCWPGYJHZHYMHQ-PSASIEDQSA-N -1 0 321.351 -0.509 20 0 DBADRM COC(=O)c1cn([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001573942080 1026671160 /nfs/dbraw/zinc/67/11/60/1026671160.db2.gz ORWYBEBTRPFGJC-IWSPIJDZSA-N -1 0 308.294 -0.441 20 0 DBADRM COC(=O)c1cn(CC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])nn1 ZINC001573941031 1026671574 /nfs/dbraw/zinc/67/15/74/1026671574.db2.gz AGYVKSYUHLGMSK-RNSXUZJQSA-N -1 0 308.294 -0.471 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC2(CC(=O)[O-])COC2)o1 ZINC001573942899 1026671601 /nfs/dbraw/zinc/67/16/01/1026671601.db2.gz UMAQHSONRXIBRJ-UHFFFAOYSA-N -1 0 319.291 -0.412 20 0 DBADRM COC(=O)c1cnc(CN[C@H]2CN(C(=O)[O-])C[C@H]2CO)s1 ZINC001573943470 1026672459 /nfs/dbraw/zinc/67/24/59/1026672459.db2.gz WZZIHVYNHLOAQR-YUMQZZPRSA-N -1 0 315.351 -0.010 20 0 DBADRM COC(=O)c1ccc(OC)cc1S(=O)(=O)NCC(=O)[O-] ZINC001573941365 1026672504 /nfs/dbraw/zinc/67/25/04/1026672504.db2.gz DTSIIZVNXLNIQM-UHFFFAOYSA-N -1 0 303.292 -0.155 20 0 DBADRM CO[C@]1(CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)CCOC1 ZINC001573952612 1026673470 /nfs/dbraw/zinc/67/34/70/1026673470.db2.gz BZGUAKQHCBAKAS-BREBYQMCSA-N -1 0 317.342 -0.938 20 0 DBADRM CO[C@H](C(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO)c1cnn(C)c1 ZINC001573948452 1026673675 /nfs/dbraw/zinc/67/36/75/1026673675.db2.gz RYSSHOCDQORQHU-DCAQKATOSA-N -1 0 312.326 -0.806 20 0 DBADRM CO[C@@]1(C(=O)N2CC([C@@H](F)C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001573949449 1026674001 /nfs/dbraw/zinc/67/40/01/1026674001.db2.gz QQFTXRKNCFAYSN-KCJUWKMLSA-N -1 0 309.315 -0.929 20 0 DBADRM CO[C@@]1(CNS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCOC1 ZINC001573955030 1026674362 /nfs/dbraw/zinc/67/43/62/1026674362.db2.gz USQIGTOFJXBPAE-LLVKDONJSA-N -1 0 319.339 -0.500 20 0 DBADRM COC[C@@H](C)OC(=O)N1CCOC[C@H]1C(=O)NCC(=O)[O-] ZINC001573969071 1026679304 /nfs/dbraw/zinc/67/93/04/1026679304.db2.gz QFUBROMBYSQCPQ-BDAKNGLRSA-N -1 0 304.299 -0.941 20 0 DBADRM COC[C@@H](NC(=O)CC1(C(=O)[O-])CCOCC1)C(=O)OC ZINC001573968021 1026680405 /nfs/dbraw/zinc/68/04/05/1026680405.db2.gz AMSIABIQUUEMKU-SECBINFHSA-N -1 0 303.311 -0.438 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(Cc2nnc3c(=O)[nH]ccn23)C1 ZINC001573974252 1026681393 /nfs/dbraw/zinc/68/13/93/1026681393.db2.gz JGFBOXYMLSSRCW-CQSZACIVSA-N -1 0 321.337 -0.269 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@H](C)c1nc(C(=O)[O-])n[nH]1 ZINC001573975101 1026682235 /nfs/dbraw/zinc/68/22/35/1026682235.db2.gz NOZASURXMIZTIM-RNFRBKRXSA-N -1 0 306.344 -0.092 20 0 DBADRM CCn1cc(CNC(=O)N(C)CCCC(=O)[O-])c(=O)[nH]c1=O ZINC001573971168 1026682330 /nfs/dbraw/zinc/68/23/30/1026682330.db2.gz MSCBCEDJLVRKFZ-UHFFFAOYSA-N -1 0 312.326 -0.025 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)COc1ccccc1)C(=O)[O-] ZINC001573985124 1026683412 /nfs/dbraw/zinc/68/34/12/1026683412.db2.gz JKCZIJSFJUXQSK-NSHDSACASA-N -1 0 310.306 -0.603 20 0 DBADRM COCC[C@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)C(=O)OC ZINC001573977931 1026684041 /nfs/dbraw/zinc/68/40/41/1026684041.db2.gz MHJMVIGDVDVSDJ-QMMMGPOBSA-N -1 0 309.340 -0.509 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)c1cccc(OC)c1)C(=O)[O-] ZINC001573985141 1026684216 /nfs/dbraw/zinc/68/42/16/1026684216.db2.gz KTSDLFRWAWRPRU-NSHDSACASA-N -1 0 310.306 -0.359 20 0 DBADRM COCc1n[nH]c(CNC(=O)N2CC([C@@H](F)C(=O)[O-])C2)n1 ZINC001573992113 1026685348 /nfs/dbraw/zinc/68/53/48/1026685348.db2.gz BEXXEKAQVVFGCL-SECBINFHSA-N -1 0 301.278 -0.485 20 0 DBADRM COC[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1F)C(=O)[O-] ZINC001573990461 1026685803 /nfs/dbraw/zinc/68/58/03/1026685803.db2.gz HJPXIGKSDOKQHD-VIFPVBQESA-N -1 0 320.298 -0.698 20 0 DBADRM COC[C@H](NC(=O)c1ccn(CCn2cccn2)n1)C(=O)[O-] ZINC001573990842 1026685901 /nfs/dbraw/zinc/68/59/01/1026685901.db2.gz LLDQIELNHIRMRC-NSHDSACASA-N -1 0 307.310 -0.391 20 0 DBADRM COCCn1cc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)cn1 ZINC001573986550 1026686112 /nfs/dbraw/zinc/68/61/12/1026686112.db2.gz XHKVQRWXOGMQTM-WDEREUQCSA-N -1 0 312.326 -0.770 20 0 DBADRM COCCS(=O)(=O)CC(=O)NCc1cc(C(=O)[O-])no1 ZINC001573986211 1026686337 /nfs/dbraw/zinc/68/63/37/1026686337.db2.gz UQFDQYLOYRQSQD-UHFFFAOYSA-N -1 0 306.296 -0.950 20 0 DBADRM COCCS(=O)(=O)CC(=O)Nc1nc(C(=O)[O-])c(C)o1 ZINC001573985632 1026686408 /nfs/dbraw/zinc/68/64/08/1026686408.db2.gz NZLCTEHLUJKCBD-UHFFFAOYSA-N -1 0 306.296 -0.319 20 0 DBADRM CO[C@@H]1CCC[C@@H]1S(=O)(=O)N1C[C@H](C(=O)[O-])C2(COC2)C1 ZINC001573993009 1026688352 /nfs/dbraw/zinc/68/83/52/1026688352.db2.gz MQVLFBOSUNCGBO-MXWKQRLJSA-N -1 0 319.379 -0.083 20 0 DBADRM COCc1nnc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)[n-]1 ZINC001573992512 1026688496 /nfs/dbraw/zinc/68/84/96/1026688496.db2.gz HPVLHFDUYOJBBM-SECBINFHSA-N -1 0 311.342 -0.636 20 0 DBADRM COc1cc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)sn1 ZINC001574012477 1026689780 /nfs/dbraw/zinc/68/97/80/1026689780.db2.gz MKVVVOQUOYCFNM-RNFRBKRXSA-N -1 0 301.324 -0.148 20 0 DBADRM COc1cc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)nn1C ZINC001574012751 1026690343 /nfs/dbraw/zinc/69/03/43/1026690343.db2.gz RTDBPMISDCMLGK-NWDGAFQWSA-N -1 0 320.305 -0.260 20 0 DBADRM CN1CCN(C(=O)CNC(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC001574029536 1026690404 /nfs/dbraw/zinc/69/04/04/1026690404.db2.gz JGGYPPDTUIJLQW-UHFFFAOYSA-N -1 0 321.337 -0.325 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1 ZINC001574030153 1026690492 /nfs/dbraw/zinc/69/04/92/1026690492.db2.gz NHQZRSZZXICTIB-MXWKQRLJSA-N -1 0 306.384 -0.510 20 0 DBADRM COc1cc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)on1 ZINC001574012471 1026690523 /nfs/dbraw/zinc/69/05/23/1026690523.db2.gz MHWIKZDNFDXMQH-MNOVXSKESA-N -1 0 307.262 -0.005 20 0 DBADRM COC(=O)[C@H](NC(=O)COCC(=O)[O-])[C@H]1CCC[C@@H](OC)C1 ZINC001574045076 1026692688 /nfs/dbraw/zinc/69/26/88/1026692688.db2.gz ATOKHJJPBAMZBY-OPQQBVKSSA-N -1 0 317.338 -0.049 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001574031727 1026692561 /nfs/dbraw/zinc/69/25/61/1026692561.db2.gz DTHNCMUUQIMPAA-UHFFFAOYSA-N -1 0 309.322 -0.565 20 0 DBADRM COC(=O)C1(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001574045477 1026693471 /nfs/dbraw/zinc/69/34/71/1026693471.db2.gz DAJFJUSNFQVTPY-VIFPVBQESA-N -1 0 312.322 -0.479 20 0 DBADRM COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H](OC)C(=O)[O-])CCO2 ZINC001574047384 1026694265 /nfs/dbraw/zinc/69/42/65/1026694265.db2.gz LBZJXVZJCJMRTE-OVAVYLEHSA-N -1 0 315.322 -0.297 20 0 DBADRM COc1nn(C)cc1C(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccncc1 ZINC001574055142 1026694424 /nfs/dbraw/zinc/69/44/24/1026694424.db2.gz RQDTVQRZRSEPLA-GHMZBOCLSA-N -1 0 320.305 -0.260 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001574047031 1026694634 /nfs/dbraw/zinc/69/46/34/1026694634.db2.gz RQYKPGAIRDIXHU-AXTSPUMRSA-N -1 0 300.311 -0.585 20 0 DBADRM COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H](OC)C(=O)[O-])CCO2 ZINC001574047385 1026694899 /nfs/dbraw/zinc/69/48/99/1026694899.db2.gz LBZJXVZJCJMRTE-USQDWFKJSA-N -1 0 315.322 -0.297 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001574047050 1026694936 /nfs/dbraw/zinc/69/49/36/1026694936.db2.gz RQYKPGAIRDIXHU-XKNYDFJKSA-N -1 0 300.311 -0.585 20 0 DBADRM CS(=O)(=O)Cc1ccccc1CNC(=O)[C@H](O)CC(=O)[O-] ZINC001574057377 1026696003 /nfs/dbraw/zinc/69/60/03/1026696003.db2.gz LLLVSIPNXDYBRC-LLVKDONJSA-N -1 0 315.347 -0.317 20 0 DBADRM COc1nccc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001574055676 1026696378 /nfs/dbraw/zinc/69/63/78/1026696378.db2.gz VEGLJSBRVQNRRW-SFYZADRCSA-N -1 0 311.298 -0.423 20 0 DBADRM CS(=O)(=O)C1(C(=O)[O-])CCN(C(=O)c2csnn2)CC1 ZINC001574057100 1026696415 /nfs/dbraw/zinc/69/64/15/1026696415.db2.gz GUTIRBVCTOFPTR-UHFFFAOYSA-N -1 0 319.364 -0.358 20 0 DBADRM CS(=O)(=O)C1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@@H](O)C2)CC1 ZINC001574056692 1026696519 /nfs/dbraw/zinc/69/65/19/1026696519.db2.gz DLPQDIBFABWEBH-DTORHVGOSA-N -1 0 305.352 -0.752 20 0 DBADRM COc1nn(C)cc1C(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001574055144 1026697262 /nfs/dbraw/zinc/69/72/62/1026697262.db2.gz RQDTVQRZRSEPLA-QWRGUYRKSA-N -1 0 320.305 -0.260 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)N2CC([C@@H](F)C(=O)[O-])C2)CC1 ZINC001574057489 1026697348 /nfs/dbraw/zinc/69/73/48/1026697348.db2.gz NXNNQRXSEBFREY-MRVPVSSYSA-N -1 0 308.331 -0.372 20 0 DBADRM CS(=O)(=O)CC1(C(=O)Nc2nc(C(=O)[O-])cs2)COC1 ZINC001574057740 1026698272 /nfs/dbraw/zinc/69/82/72/1026698272.db2.gz XFHNLTMGNIGWJI-UHFFFAOYSA-N -1 0 320.348 -0.159 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001574059368 1026698283 /nfs/dbraw/zinc/69/82/83/1026698283.db2.gz JCSXZBNPMHXUIK-ZYUZMQFOSA-N -1 0 304.368 -0.459 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NC2(CC(=O)[O-])COC2)cn1 ZINC001574059588 1026698315 /nfs/dbraw/zinc/69/83/15/1026698315.db2.gz OVJAJVFBQWOTTP-UHFFFAOYSA-N -1 0 314.319 -0.541 20 0 DBADRM CS(=O)(=O)NCC1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001574059358 1026698333 /nfs/dbraw/zinc/69/83/33/1026698333.db2.gz JCKMJPMAZSLUJC-NXEZZACHSA-N -1 0 304.368 -0.505 20 0 DBADRM CS(=O)(=O)c1ccc(N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)nc1 ZINC001574059559 1026698515 /nfs/dbraw/zinc/69/85/15/1026698515.db2.gz OHXIWBIONSRETE-SCZZXKLOSA-N -1 0 315.351 -0.132 20 0 DBADRM CS(=O)(=O)c1ccc(CN[C@@H]2CN(C(=O)[O-])C[C@H]2CO)o1 ZINC001574059355 1026698541 /nfs/dbraw/zinc/69/85/41/1026698541.db2.gz IRJWCONTRPMRMN-WCBMZHEXSA-N -1 0 318.351 -0.257 20 0 DBADRM CS(=O)(=O)c1cccnc1C(=O)N1CC([C@H](F)C(=O)[O-])C1 ZINC001574059557 1026698688 /nfs/dbraw/zinc/69/86/88/1026698688.db2.gz OHAIZYKMZBBKFU-VIFPVBQESA-N -1 0 316.310 -0.020 20 0 DBADRM CS(=O)(=O)N1CC(CSc2ncc(C(=O)[O-])c(N)n2)C1 ZINC001574059294 1026698794 /nfs/dbraw/zinc/69/87/94/1026698794.db2.gz HGRXGSRAVGLERF-UHFFFAOYSA-N -1 0 318.380 -0.260 20 0 DBADRM COC(=O)C[C@@H]1CCC[C@H]1NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001574069433 1026699992 /nfs/dbraw/zinc/69/99/92/1026699992.db2.gz CNBBBZDOFPNJBE-DTWKUNHWSA-N -1 0 310.310 -0.176 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574075381 1026700065 /nfs/dbraw/zinc/70/00/65/1026700065.db2.gz IWDFFNZLAOYUCI-IUCAKERBSA-N -1 0 315.326 -0.687 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 ZINC001574060116 1026700124 /nfs/dbraw/zinc/70/01/24/1026700124.db2.gz YCTRYOYQHCZESI-FPVGNUTFSA-N -1 0 317.363 -0.236 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1cc(CN(C)C)on1)C(=O)[O-] ZINC001574063315 1026700351 /nfs/dbraw/zinc/70/03/51/1026700351.db2.gz NRLXQDRAFKWUCM-VIFPVBQESA-N -1 0 313.310 -0.128 20 0 DBADRM COC(=O)NC(C)(C)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001574075734 1026700404 /nfs/dbraw/zinc/70/04/04/1026700404.db2.gz KAECYYDQXBGTLN-SDBXPKJASA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)N(C)CC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574069833 1026700517 /nfs/dbraw/zinc/70/05/17/1026700517.db2.gz NCRMYIOOFKMXTN-VIFPVBQESA-N -1 0 315.326 -0.734 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1ccn2nccc2n1)C(=O)[O-] ZINC001574065659 1026700672 /nfs/dbraw/zinc/70/06/72/1026700672.db2.gz ASLBAMKURJZFBS-VIFPVBQESA-N -1 0 306.278 -0.135 20 0 DBADRM COC(=O)c1c(OCCO)n[nH]c1NC(=O)CCC(=O)[O-] ZINC001574081450 1026701849 /nfs/dbraw/zinc/70/18/49/1026701849.db2.gz FYEUXVNIOJDNIE-UHFFFAOYSA-N -1 0 301.255 -0.629 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)n[nH]1 ZINC001574085225 1026701876 /nfs/dbraw/zinc/70/18/76/1026701876.db2.gz NZCLRLPIVLGEFM-QMMMGPOBSA-N -1 0 305.312 -0.416 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)NCc1cc(C(=O)[O-])no1 ZINC001574096264 1026701980 /nfs/dbraw/zinc/70/19/80/1026701980.db2.gz DCORDLALWMRJKZ-ZETCQYMHSA-N -1 0 316.339 -0.221 20 0 DBADRM CSC[C@H](NC(=O)[C@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001574097235 1026702313 /nfs/dbraw/zinc/70/23/13/1026702313.db2.gz YOTHWJGVUUBHPI-BQBZGAKWSA-N -1 0 300.340 -0.522 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC001574104541 1026705317 /nfs/dbraw/zinc/70/53/17/1026705317.db2.gz IFXUXYNEKXFFHJ-IWSPIJDZSA-N -1 0 308.356 -0.937 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)c2cnncc2O)CC1 ZINC001574096812 1026703412 /nfs/dbraw/zinc/70/34/12/1026703412.db2.gz FKTHKHWGTISZOR-NRFANRHFSA-N -1 0 313.335 -0.380 20 0 DBADRM CSC[C@H](NC(=O)c1cc2c(=O)[nH]c(C)cn2n1)C(=O)[O-] ZINC001574096237 1026703736 /nfs/dbraw/zinc/70/37/36/1026703736.db2.gz CHOSAPRMTWILDY-QMMMGPOBSA-N -1 0 310.335 -0.123 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001574077555 1026703836 /nfs/dbraw/zinc/70/38/36/1026703836.db2.gz XEUGMPXKVAPJHY-PSASIEDQSA-N -1 0 308.290 -0.528 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)CC(=O)[O-] ZINC001574098442 1026704377 /nfs/dbraw/zinc/70/43/77/1026704377.db2.gz APIJDQWDPJJJFI-WEDXCCLWSA-N -1 0 320.342 -0.788 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)N1CC([C@@H](F)C(=O)[O-])C1 ZINC001574097750 1026704808 /nfs/dbraw/zinc/70/48/08/1026704808.db2.gz SMHYKTQGTLFSDZ-MRVPVSSYSA-N -1 0 309.319 -0.695 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC001574097545 1026705437 /nfs/dbraw/zinc/70/54/37/1026705437.db2.gz POQKGFNKTUODOR-QMMMGPOBSA-N -1 0 320.371 -0.318 20 0 DBADRM C[S@](=O)C1(CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)CC1 ZINC001574097758 1026705523 /nfs/dbraw/zinc/70/55/23/1026705523.db2.gz SOMCLQCIRKWWFX-FQJNGZCASA-N -1 0 319.383 -0.833 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)c2nccnc2N)CC1 ZINC001574097966 1026705787 /nfs/dbraw/zinc/70/57/87/1026705787.db2.gz VONVSSKRNFREHD-NRFANRHFSA-N -1 0 312.351 -0.503 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC001574101726 1026705802 /nfs/dbraw/zinc/70/58/02/1026705802.db2.gz MYJPWQXRCUUBMK-GMSGAONNSA-N -1 0 316.335 -0.389 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H]1CSCN1C(=O)[O-] ZINC001574104392 1026705808 /nfs/dbraw/zinc/70/58/08/1026705808.db2.gz FCKKKTJZWQDREC-GJMOJQLCSA-N -1 0 308.381 -0.411 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(CCNC(=O)C2CC2)CC1 ZINC001574097546 1026705881 /nfs/dbraw/zinc/70/58/81/1026705881.db2.gz POWLGBWQPPZVBG-FQEVSTJZSA-N -1 0 302.396 -0.190 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(S(=O)(=O)N2CCC2)CC1 ZINC001574098255 1026705992 /nfs/dbraw/zinc/70/59/92/1026705992.db2.gz ZUXXSAJQBVUTFL-SFHVURJKSA-N -1 0 310.397 -0.765 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1S(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC001574110371 1026706726 /nfs/dbraw/zinc/70/67/26/1026706726.db2.gz BNEWZZUCGVMXLP-RKDXNWHRSA-N -1 0 318.351 -0.242 20 0 DBADRM Cc1[nH]c(C(=O)NC2CCN(CC(N)=O)CC2)cc1C(=O)[O-] ZINC001574110966 1026706930 /nfs/dbraw/zinc/70/69/30/1026706930.db2.gz AWLXIKDIMODRGE-UHFFFAOYSA-N -1 0 308.338 -0.299 20 0 DBADRM Cc1c(Br)cnn1CC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001574111885 1026707038 /nfs/dbraw/zinc/70/70/38/1026707038.db2.gz BXDGDNRNCMNURE-JTQLQIEISA-N -1 0 320.143 -0.094 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CC[C@H](C(=O)Nc2cn[nH]c2)C1 ZINC001574106581 1026707457 /nfs/dbraw/zinc/70/74/57/1026707457.db2.gz YRYSAUYYNFTFIU-SDBXPKJASA-N -1 0 310.310 -0.314 20 0 DBADRM C[C@H]1C[C@@H](O)CN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC001574112287 1026707529 /nfs/dbraw/zinc/70/75/29/1026707529.db2.gz JDXKXWWVGOESRP-GARJFASQSA-N -1 0 306.384 -0.270 20 0 DBADRM C[C@H]1CN(C(=O)NCc2cc(C(=O)[O-])no2)CCS1(=O)=O ZINC001574111647 1026707633 /nfs/dbraw/zinc/70/76/33/1026707633.db2.gz BJQPCIHYGUFLGI-ZETCQYMHSA-N -1 0 317.323 -0.299 20 0 DBADRM Cc1[nH]c(C(=O)N2CC(O)(c3ncnn3C)C2)c(C)c1C(=O)[O-] ZINC001574111393 1026707817 /nfs/dbraw/zinc/70/78/17/1026707817.db2.gz DPEKOVLXXJAMJA-UHFFFAOYSA-N -1 0 319.321 -0.198 20 0 DBADRM CO[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001574120228 1026709541 /nfs/dbraw/zinc/70/95/41/1026709541.db2.gz LEEXUCAKINTAGA-ZDUSSCGKSA-N -1 0 320.345 -0.001 20 0 DBADRM Cc1c(C(=O)[O-])noc1NC(=O)CN1CCS(=O)(=O)CC1 ZINC001574119664 1026710214 /nfs/dbraw/zinc/71/02/14/1026710214.db2.gz DQGCWMMOIKZMTI-UHFFFAOYSA-N -1 0 317.323 -0.650 20 0 DBADRM Cc1c(C(=O)N(CC(N)=O)CC(=O)[O-])[nH]nc1C(F)(F)F ZINC001574122359 1026710324 /nfs/dbraw/zinc/71/03/24/1026710324.db2.gz SOSSKJYXXSYRPQ-UHFFFAOYSA-N -1 0 308.216 -0.251 20 0 DBADRM Cc1c[nH]c(=O)c(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])c1 ZINC001574126866 1026710895 /nfs/dbraw/zinc/71/08/95/1026710895.db2.gz HXFZMGHDFCKAAB-UHFFFAOYSA-N -1 0 312.307 -0.005 20 0 DBADRM Cc1cc(C)nc(N2CCN(C(=O)[C@H](O)CC(=O)[O-])CC2)n1 ZINC001574135567 1026711186 /nfs/dbraw/zinc/71/11/86/1026711186.db2.gz VAZKRMOGSVIJBC-LLVKDONJSA-N -1 0 308.338 -0.422 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2noc(C)n2)C1 ZINC001574133765 1026711656 /nfs/dbraw/zinc/71/16/56/1026711656.db2.gz KIHDYCBKLDUHJD-NSHDSACASA-N -1 0 319.339 -0.369 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC001574133379 1026711845 /nfs/dbraw/zinc/71/18/45/1026711845.db2.gz JVDNKBYBHBBZNG-AWEZNQCLSA-N -1 0 321.337 -0.008 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC001574133380 1026712038 /nfs/dbraw/zinc/71/20/38/1026712038.db2.gz JVDNKBYBHBBZNG-CQSZACIVSA-N -1 0 321.337 -0.008 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)N[C@]2(C)CCOC2=O)CCO1 ZINC001574141865 1026712558 /nfs/dbraw/zinc/71/25/58/1026712558.db2.gz QDNQGZGFDOJNNV-CHWSQXEVSA-N -1 0 316.310 -0.796 20 0 DBADRM COCC1(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCC1 ZINC001574142760 1026713160 /nfs/dbraw/zinc/71/31/60/1026713160.db2.gz BLCMPMIFDUDHSC-GWCFXTLKSA-N -1 0 319.379 -0.082 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)NCc1[nH]cnc1C(=O)[O-] ZINC001574144312 1026713200 /nfs/dbraw/zinc/71/32/00/1026713200.db2.gz LYQWKVCXFQRQSG-UHFFFAOYSA-N -1 0 306.278 -0.400 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2ccc(OC)nn2)CCO1 ZINC001574145196 1026713304 /nfs/dbraw/zinc/71/33/04/1026713304.db2.gz FGQAQRXKKCPSAC-CYBMUJFWSA-N -1 0 311.294 -0.573 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)NC1(CC(=O)[O-])COC1 ZINC001574143359 1026713441 /nfs/dbraw/zinc/71/34/41/1026713441.db2.gz CKYYMDMWGZIEMA-UHFFFAOYSA-N -1 0 310.306 -0.388 20 0 DBADRM Cc1cc(NC(=O)[C@@H]2CCS(=O)(=O)C2)n(CC(=O)[O-])n1 ZINC001574141681 1026714443 /nfs/dbraw/zinc/71/44/43/1026714443.db2.gz PRWGXKLRMVVGRC-MRVPVSSYSA-N -1 0 301.324 -0.351 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CCc1ocnc1C(=O)OC ZINC001574150069 1026714946 /nfs/dbraw/zinc/71/49/46/1026714946.db2.gz UOKWQUQNCSQCQO-UHFFFAOYSA-N -1 0 314.294 -0.047 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2ccnc(OC)n2)CCO1 ZINC001574147084 1026715429 /nfs/dbraw/zinc/71/54/29/1026715429.db2.gz RKLSBKGECAXBNM-ZDUSSCGKSA-N -1 0 311.294 -0.573 20 0 DBADRM COCCNC(=O)C1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001574163046 1026716388 /nfs/dbraw/zinc/71/63/88/1026716388.db2.gz CDQPHFTWYYETPC-UHFFFAOYSA-N -1 0 324.337 -0.277 20 0 DBADRM Cc1cn2nnc(C(=O)N3CC([C@@H](C)C(=O)[O-])C3)c2c(=O)[nH]1 ZINC001574173142 1026717332 /nfs/dbraw/zinc/71/73/32/1026717332.db2.gz OVDKQYLHLAGRJX-SSDOTTSWSA-N -1 0 305.294 -0.069 20 0 DBADRM Cc1cncn1CC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001574179329 1026717661 /nfs/dbraw/zinc/71/76/61/1026717661.db2.gz HSDXFHRZRARIHV-OLZOCXBDSA-N -1 0 304.306 -0.110 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])CC2 ZINC001574169130 1026717767 /nfs/dbraw/zinc/71/77/67/1026717767.db2.gz PQRHDIRGIUENJH-OPRDCNLKSA-N -1 0 308.338 -0.034 20 0 DBADRM Cc1cncc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC001574179832 1026718246 /nfs/dbraw/zinc/71/82/46/1026718246.db2.gz KDNCTJWPLXRMSZ-BDAKNGLRSA-N -1 0 315.351 -0.354 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)C[C@H]2COCCO2)c1C(=O)[O-] ZINC001574179345 1026718396 /nfs/dbraw/zinc/71/83/96/1026718396.db2.gz SYVQUEVJWXRRON-QMMMGPOBSA-N -1 0 319.339 -0.548 20 0 DBADRM Cc1ccnn1CC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccncc1 ZINC001574173755 1026718509 /nfs/dbraw/zinc/71/85/09/1026718509.db2.gz ZCAOERBNHSNPAH-CHWSQXEVSA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1conc1CS(=O)(=O)N1CCO[C@](C)(C(=O)[O-])C1 ZINC001574178750 1026718520 /nfs/dbraw/zinc/71/85/20/1026718520.db2.gz CIBNSOHIKAYDJA-NSHDSACASA-N -1 0 304.324 -0.012 20 0 DBADRM COCc1noc(CN(CCNC(C)=O)[C@H](C)C(=O)[O-])n1 ZINC001574168851 1026718695 /nfs/dbraw/zinc/71/86/95/1026718695.db2.gz JTCBUEYFFXEESX-MRVPVSSYSA-N -1 0 300.315 -0.373 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccncc1 ZINC001574173758 1026718709 /nfs/dbraw/zinc/71/87/09/1026718709.db2.gz ZCAOERBNHSNPAH-QWHCGFSZSA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1nc(N2CCS(=O)(=O)C[C@H]2CCO)ncc1C(=O)[O-] ZINC001574187182 1026719363 /nfs/dbraw/zinc/71/93/63/1026719363.db2.gz CNYGZGUAJXWPGH-SECBINFHSA-N -1 0 315.351 -0.531 20 0 DBADRM Cc1nc(C(=O)[O-])cc(N2CC[C@@H](CNS(C)(=O)=O)C2)n1 ZINC001574180095 1026719381 /nfs/dbraw/zinc/71/93/81/1026719381.db2.gz ASQSONQDHSZOCK-VIFPVBQESA-N -1 0 314.367 -0.141 20 0 DBADRM Cc1nc(C(=O)NC[C@@H](O)CS(C)(=O)=O)ccc1C(=O)[O-] ZINC001574180491 1026720237 /nfs/dbraw/zinc/72/02/37/1026720237.db2.gz JIMRFJZDRYCUKK-MRVPVSSYSA-N -1 0 316.335 -0.776 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1C(=O)[O-] ZINC001574183114 1026720323 /nfs/dbraw/zinc/72/03/23/1026720323.db2.gz WNRYZIXYLCHTIM-QXFUBDJGSA-N -1 0 315.351 -0.050 20 0 DBADRM Cc1nc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)sc1C(=O)[O-] ZINC001574187099 1026720492 /nfs/dbraw/zinc/72/04/92/1026720492.db2.gz APQOAEWMEGZMMH-BWZBUEFSSA-N -1 0 314.319 -0.499 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCc2cnccn2)c1C(=O)[O-] ZINC001574182017 1026720505 /nfs/dbraw/zinc/72/05/05/1026720505.db2.gz HWJDEOKIOYAITH-UHFFFAOYSA-N -1 0 311.323 -0.273 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCc2ccnc(C)n2)c1C(=O)[O-] ZINC001574190592 1026721899 /nfs/dbraw/zinc/72/18/99/1026721899.db2.gz BICOPTAFTPIZJS-UHFFFAOYSA-N -1 0 311.323 -0.007 20 0 DBADRM Cc1nn(C)cc1CC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001574197960 1026721929 /nfs/dbraw/zinc/72/19/29/1026721929.db2.gz IWHASRKUNDYOGP-KGLIPLIRSA-N -1 0 318.333 -0.031 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)NCc1cc(C(=O)[O-])no1)C2 ZINC001574192619 1026722443 /nfs/dbraw/zinc/72/24/43/1026722443.db2.gz NFYZFTZDHNIIOD-UHFFFAOYSA-N -1 0 306.282 -0.002 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001574204516 1026723550 /nfs/dbraw/zinc/72/35/50/1026723550.db2.gz BPCKSRXYPITGCI-SSDOTTSWSA-N -1 0 302.308 -0.218 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N[C@H](C)c1nc(C(=O)[O-])n[nH]1)CC2 ZINC001574198706 1026723856 /nfs/dbraw/zinc/72/38/56/1026723856.db2.gz UQDQJLCAVUPRCR-HTRCEHHLSA-N -1 0 319.325 -0.157 20 0 DBADRM Cc1noc([C@@H]2OCC[C@@H]2NS(=O)(=O)CCCC(=O)[O-])n1 ZINC001574206926 1026724074 /nfs/dbraw/zinc/72/40/74/1026724074.db2.gz WTZWXKYBYITOKO-WCBMZHEXSA-N -1 0 319.339 -0.008 20 0 DBADRM Cc1nnc(N2CCC[C@@H](NC(=O)[O-])C2)n1Cc1ncn(C)n1 ZINC001574200815 1026724609 /nfs/dbraw/zinc/72/46/09/1026724609.db2.gz QKTWLOXXVJLZOF-SNVBAGLBSA-N -1 0 320.357 0.000 20 0 DBADRM Cc1nnc(N2CCC[C@H](NC(=O)[O-])C2)n1CC(=O)N(C)C ZINC001574201098 1026724856 /nfs/dbraw/zinc/72/48/56/1026724856.db2.gz ROZNBRIGRYSHNR-JTQLQIEISA-N -1 0 310.358 -0.089 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001574208935 1026725811 /nfs/dbraw/zinc/72/58/11/1026725811.db2.gz KOFIXQHANHLSOJ-NSHDSACASA-N -1 0 316.339 -0.471 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001574208922 1026726452 /nfs/dbraw/zinc/72/64/52/1026726452.db2.gz KCKITCVETWHZKK-SSDOTTSWSA-N -1 0 309.282 -0.213 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)NCC(=O)N=S(C)(C)=O ZINC001574210077 1026726951 /nfs/dbraw/zinc/72/69/51/1026726951.db2.gz WXQHQSWQNHFZAW-UHFFFAOYSA-N -1 0 317.327 -0.506 20 0 DBADRM CC1SC(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)=NC1=O ZINC001574208239 1026726864 /nfs/dbraw/zinc/72/68/64/1026726864.db2.gz XISZPCLYWSBPIF-RNFRBKRXSA-N -1 0 301.324 -0.142 20 0 DBADRM Cn1cc(NC(=O)N2CCN3C(=O)NC[C@H]3C2)c(C(=O)[O-])c1 ZINC001574213773 1026727986 /nfs/dbraw/zinc/72/79/86/1026727986.db2.gz UJFVRJAMGURWAA-QMMMGPOBSA-N -1 0 307.310 -0.035 20 0 DBADRM Cn1cc(CC(=O)N2CCC(C(=O)[O-])([S@](C)=O)CC2)cn1 ZINC001574212769 1026728256 /nfs/dbraw/zinc/72/82/56/1026728256.db2.gz QLCGAFNNCGHHJG-NRFANRHFSA-N -1 0 313.379 -0.213 20 0 DBADRM Cn1cc(CCC(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccncc2)nn1 ZINC001574212430 1026729092 /nfs/dbraw/zinc/72/90/92/1026729092.db2.gz MNGYEPANKNNUKO-QWHCGFSZSA-N -1 0 319.321 -0.554 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001574221038 1026730489 /nfs/dbraw/zinc/73/04/89/1026730489.db2.gz MVLGGNVDWUAPJL-GWOFURMSSA-N -1 0 308.338 -0.390 20 0 DBADRM Cn1cnc(CCNC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)c1 ZINC001574221749 1026730645 /nfs/dbraw/zinc/73/06/45/1026730645.db2.gz XXNXKSARLPZIOB-ONGXEEELSA-N -1 0 311.342 -0.768 20 0 DBADRM Cn1cnc(CNS(=O)(=O)Cc2cc(C(=O)[O-])no2)c1 ZINC001574221890 1026730775 /nfs/dbraw/zinc/73/07/75/1026730775.db2.gz ZPLXLQGFYIEUED-UHFFFAOYSA-N -1 0 300.296 -0.274 20 0 DBADRM Cn1cc(NC(=O)NC[C@@H](O)Cn2ccnn2)c(C(=O)[O-])c1 ZINC001574220024 1026731109 /nfs/dbraw/zinc/73/11/09/1026731109.db2.gz JUPDUBLNHOEFSK-MRVPVSSYSA-N -1 0 308.298 -0.503 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@H](O)C[C@@]2(C)CO)cc1C(=O)[O-] ZINC001574220271 1026731542 /nfs/dbraw/zinc/73/15/42/1026731542.db2.gz LYGPWKISEYVULB-PELKAZGASA-N -1 0 318.351 -0.770 20 0 DBADRM Cn1ncc(CCC(=O)Nc2cccn(CC(=O)[O-])c2=O)n1 ZINC001574226276 1026731671 /nfs/dbraw/zinc/73/16/71/1026731671.db2.gz BIYXPTNIUKRRMS-UHFFFAOYSA-N -1 0 305.294 -0.367 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001574221039 1026731892 /nfs/dbraw/zinc/73/18/92/1026731892.db2.gz MVLGGNVDWUAPJL-LNFKQOIKSA-N -1 0 308.338 -0.390 20 0 DBADRM CC(C)COC1CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001574228368 1026732649 /nfs/dbraw/zinc/73/26/49/1026732649.db2.gz JSGISDNAFCKMQL-UHFFFAOYSA-N -1 0 321.341 -0.885 20 0 DBADRM Cn1nccc1[C@H](O)CNC(=O)NCc1cc(C(=O)[O-])no1 ZINC001574229254 1026732961 /nfs/dbraw/zinc/73/29/61/1026732961.db2.gz WYFVAHPWMBGZFX-SNVBAGLBSA-N -1 0 309.282 -0.361 20 0 DBADRM Cn1ncc(C(=O)N2CCC(C(=O)[O-])([S@@](C)=O)CC2)n1 ZINC001574226508 1026733260 /nfs/dbraw/zinc/73/32/60/1026733260.db2.gz IFTAPOOOOPZMBE-HXUWFJFHSA-N -1 0 300.340 -0.747 20 0 DBADRM Cn1nnc2ccc(C(=O)N[C@@H]3CN(C(=O)[O-])C[C@H]3CO)cc21 ZINC001574229291 1026733270 /nfs/dbraw/zinc/73/32/70/1026733270.db2.gz YQLJPHVTXGJSMD-GXSJLCMTSA-N -1 0 319.321 -0.331 20 0 DBADRM Cn1nc2c(c1N)CN(C(=O)Nc1ncc(C(=O)[O-])n1C)C2 ZINC001574226876 1026733442 /nfs/dbraw/zinc/73/34/42/1026733442.db2.gz SFTAOPIECKINEG-UHFFFAOYSA-N -1 0 305.298 -0.018 20 0 DBADRM Cn1nc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)ccc1=O ZINC001574226636 1026733827 /nfs/dbraw/zinc/73/38/27/1026733827.db2.gz NDLAGGDFASDTNC-RYUDHWBXSA-N -1 0 318.289 -0.908 20 0 DBADRM C[S@](=N)(=O)N1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001574242442 1026734552 /nfs/dbraw/zinc/73/45/52/1026734552.db2.gz KTHLCYNFJGYNCT-OAQYLSRUSA-N -1 0 319.383 -0.396 20 0 DBADRM NC(=O)[C@H](F)C1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC001574247171 1026734488 /nfs/dbraw/zinc/73/44/88/1026734488.db2.gz ALLGTZHJDRTYJA-SNVBAGLBSA-N -1 0 310.347 -0.284 20 0 DBADRM CC(C)N(C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C1COC1 ZINC001574246333 1026735095 /nfs/dbraw/zinc/73/50/95/1026735095.db2.gz KQAHLMQBDYIPHC-QMMMGPOBSA-N -1 0 306.330 -0.345 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001574242982 1026735231 /nfs/dbraw/zinc/73/52/31/1026735231.db2.gz RGTUSIIHOOYCLU-VHSXEESVSA-N -1 0 307.368 -0.601 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)C[C@H]1C(N)=O ZINC001574247695 1026735658 /nfs/dbraw/zinc/73/56/58/1026735658.db2.gz FMYNXVNFRAHFHA-AOOOYVTPSA-N -1 0 305.290 -0.956 20 0 DBADRM NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](O)CC(=O)[O-])CC1 ZINC001574248861 1026737752 /nfs/dbraw/zinc/73/77/52/1026737752.db2.gz MNLIFYHBQLQEQP-LBPRGKRZSA-N -1 0 320.345 -0.132 20 0 DBADRM NC(=O)[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccccn1 ZINC001574248469 1026738010 /nfs/dbraw/zinc/73/80/10/1026738010.db2.gz KBCOSHPCRIBCQA-ZWNOBZJWSA-N -1 0 320.349 -0.479 20 0 DBADRM NC(=O)C12CCC(CC1)N2S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001574248886 1026738246 /nfs/dbraw/zinc/73/82/46/1026738246.db2.gz NBBRHAGHMVDNDG-NBBOBHDQSA-N -1 0 317.367 -0.738 20 0 DBADRM NC(=O)CN(C(=O)[C@@H]1CCCN(C(=O)[O-])C1)C1CCOCC1 ZINC001574254765 1026738830 /nfs/dbraw/zinc/73/88/30/1026738830.db2.gz HEKMTPKLKRAKDT-SNVBAGLBSA-N -1 0 313.354 -0.131 20 0 DBADRM NC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccnn1C1CCC1 ZINC001574254835 1026739632 /nfs/dbraw/zinc/73/96/32/1026739632.db2.gz IYDRTTCWYUYSIG-UHFFFAOYSA-N -1 0 316.339 -0.831 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)CCc1nnc(C(F)F)o1 ZINC001574255229 1026740502 /nfs/dbraw/zinc/74/05/02/1026740502.db2.gz UODVVPSILFSESJ-UHFFFAOYSA-N -1 0 306.225 -0.662 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)C[C@@H]1CC(=O)Nc2ccccc21 ZINC001574254577 1026741184 /nfs/dbraw/zinc/74/11/84/1026741184.db2.gz CQEDKFGAWRZRPJ-VIFPVBQESA-N -1 0 319.317 -0.099 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)O1 ZINC001574256321 1026741789 /nfs/dbraw/zinc/74/17/89/1026741789.db2.gz CIIOQGKQYPUCKK-HBNTYKKESA-N -1 0 308.290 -0.333 20 0 DBADRM NC(=O)c1cc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)on1 ZINC001574259250 1026741803 /nfs/dbraw/zinc/74/18/03/1026741803.db2.gz KCAXDMOXULSKJF-MRVPVSSYSA-N -1 0 310.310 -0.814 20 0 DBADRM NC(=O)c1cnc(C(=O)NC2(CC(=O)[O-])COC2)c(Cl)c1 ZINC001574260129 1026742099 /nfs/dbraw/zinc/74/20/99/1026742099.db2.gz VTEPLXRDBKYKCG-UHFFFAOYSA-N -1 0 313.697 -0.193 20 0 DBADRM NC(=O)N1CC[C@H](CNS(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001574257314 1026742201 /nfs/dbraw/zinc/74/22/01/1026742201.db2.gz WJOBEPRABZNVAD-MRVPVSSYSA-N -1 0 305.356 -0.686 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NC(=O)Nc2nnc(CC(=O)[O-])s2)C1 ZINC001574256770 1026743294 /nfs/dbraw/zinc/74/32/94/1026743294.db2.gz MJSDNHKIONRFKT-NTSWFWBYSA-N -1 0 313.339 -0.059 20 0 DBADRM NC(=O)[C@H]1CCCN1S(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC001574256908 1026743419 /nfs/dbraw/zinc/74/34/19/1026743419.db2.gz OUGJQOCPVHOXMM-SECBINFHSA-N -1 0 305.356 -0.592 20 0 DBADRM NC1=CCN(C(=O)[C@H]2CC(C(=O)[O-])=NN2c2ccccc2)N1 ZINC001574269338 1026744883 /nfs/dbraw/zinc/74/48/83/1026744883.db2.gz WDRMFHVOZATHQZ-LLVKDONJSA-N -1 0 301.306 -0.147 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CSC[C@H]2C(=O)[O-])ccn1 ZINC001574279509 1026746600 /nfs/dbraw/zinc/74/66/00/1026746600.db2.gz DHVMSYHINSPPKE-ZETCQYMHSA-N -1 0 317.348 -0.671 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC001574281021 1026746875 /nfs/dbraw/zinc/74/68/75/1026746875.db2.gz UABICSVMNZGVCM-NXEZZACHSA-N -1 0 319.383 -0.487 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC001574281022 1026747515 /nfs/dbraw/zinc/74/75/15/1026747515.db2.gz UABICSVMNZGVCM-UWVGGRQHSA-N -1 0 319.383 -0.487 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCCN1CCCS1(=O)=O ZINC001574282211 1026747653 /nfs/dbraw/zinc/74/76/53/1026747653.db2.gz UGHDMLQHUBHKJV-SKDRFNHKSA-N -1 0 304.368 -0.361 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NC2(CC(=O)[O-])COC2)cs1 ZINC001574281272 1026747629 /nfs/dbraw/zinc/74/76/29/1026747629.db2.gz ZRAALGQIUFCPSN-UHFFFAOYSA-N -1 0 320.348 -0.631 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1 ZINC001574280699 1026747974 /nfs/dbraw/zinc/74/79/74/1026747974.db2.gz PFWNITKUOSPTGW-BBBLOLIVSA-N -1 0 319.383 -0.729 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC001574281023 1026748453 /nfs/dbraw/zinc/74/84/53/1026748453.db2.gz UABICSVMNZGVCM-VHSXEESVSA-N -1 0 319.383 -0.487 20 0 DBADRM Nc1ncn(CC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)n1 ZINC001574292107 1026749834 /nfs/dbraw/zinc/74/98/34/1026749834.db2.gz UWCXLKPPCIXPJO-AWEZNQCLSA-N -1 0 301.306 -0.097 20 0 DBADRM O=C([O-])C1(CC(=O)N2CCS(=O)(=O)C[C@H]2CCO)CCC1 ZINC001574293053 1026750543 /nfs/dbraw/zinc/75/05/43/1026750543.db2.gz RMZSBGDZUXEKBS-SNVBAGLBSA-N -1 0 319.379 -0.361 20 0 DBADRM O=C([O-])c1cc(CNC(=O)C[C@@H]2C=CS(=O)(=O)C2)on1 ZINC001574292526 1026750702 /nfs/dbraw/zinc/75/07/02/1026750702.db2.gz BJKLMHXQXQGEAH-ZETCQYMHSA-N -1 0 300.292 -0.063 20 0 DBADRM O=C(CC1(C(=O)[O-])CCOCC1)N[C@H](CO)[C@H]1CCOC1 ZINC001574292854 1026751016 /nfs/dbraw/zinc/75/10/16/1026751016.db2.gz KBNVBLIMHNDHMF-WDEREUQCSA-N -1 0 301.339 -0.229 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCOCC1)[C@@H](O)c1cccnc1 ZINC001574300106 1026752008 /nfs/dbraw/zinc/75/20/08/1026752008.db2.gz AFTVSBFOBQUZHE-STQMWFEESA-N -1 0 309.322 -0.983 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCCCC1=O)[C@H](O)c1ccncc1 ZINC001574299511 1026752036 /nfs/dbraw/zinc/75/20/36/1026752036.db2.gz LXRVAALCAQAZAN-ZIAGYGMSSA-N -1 0 321.333 -0.303 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCn1cncn1)[C@H](O)c1ccncc1 ZINC001574299527 1026753294 /nfs/dbraw/zinc/75/32/94/1026753294.db2.gz MSRJEIVMCYMHNA-VXGBXAGGSA-N -1 0 305.294 -0.634 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@@H]1CCNC1=O)[C@H](O)c1cccnc1 ZINC001574293586 1026753543 /nfs/dbraw/zinc/75/35/43/1026753543.db2.gz LKARGSZEVUPIEF-KPXOXKRLSA-N -1 0 307.306 -0.789 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCCCC1=O)[C@H](O)c1ccncc1 ZINC001574299510 1026753732 /nfs/dbraw/zinc/75/37/32/1026753732.db2.gz LXRVAALCAQAZAN-UONOGXRCSA-N -1 0 321.333 -0.303 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@@H]1CCNC1=O)[C@@H](O)c1cccnc1 ZINC001574293585 1026754009 /nfs/dbraw/zinc/75/40/09/1026754009.db2.gz LKARGSZEVUPIEF-AXTRIDKLSA-N -1 0 307.306 -0.789 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCC(=O)c1cncs1 ZINC001574300629 1026754840 /nfs/dbraw/zinc/75/48/40/1026754840.db2.gz SAMFOYPBZYFBJM-UHFFFAOYSA-N -1 0 316.320 -0.274 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)Cc2nnc(C3CC3)[nH]2)C1 ZINC001574301629 1026754897 /nfs/dbraw/zinc/75/48/97/1026754897.db2.gz DNBVQABTKFUIGK-IUCAKERBSA-N -1 0 309.326 -0.689 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)CC1C(=O)N=CNC1=O ZINC001574302187 1026755341 /nfs/dbraw/zinc/75/53/41/1026755341.db2.gz CQYSKAHQNNVTNR-JTQLQIEISA-N -1 0 318.289 -0.363 20 0 DBADRM O=C([O-])[C@H](NC(=O)CO[C@@H]1CCOC1)[C@@H](O)c1cccnc1 ZINC001574300487 1026755565 /nfs/dbraw/zinc/75/55/65/1026755565.db2.gz MSCROANVVXSTPN-RTXFEEFZSA-N -1 0 310.306 -0.510 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CCNC(=O)CO)C[C@H]1C(F)(F)F ZINC001574300519 1026755596 /nfs/dbraw/zinc/75/55/96/1026755596.db2.gz NQEJFUYSOUMVGA-RNFRBKRXSA-N -1 0 312.244 -0.794 20 0 DBADRM O=C([O-])c1cccc2[nH]c(NC(=O)CCNC(=O)CO)nc21 ZINC001574300636 1026755731 /nfs/dbraw/zinc/75/57/31/1026755731.db2.gz SKZZZSWTANABMX-UHFFFAOYSA-N -1 0 306.278 -0.302 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)CSc2nncs2)C1 ZINC001574302859 1026755880 /nfs/dbraw/zinc/75/58/80/1026755880.db2.gz QSJRFXKAYRDKKA-RNFRBKRXSA-N -1 0 318.380 -0.283 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1cc2n(n1)CCO2)[C@@H](O)c1ccncc1 ZINC001574308884 1026757115 /nfs/dbraw/zinc/75/71/15/1026757115.db2.gz PYHJHSWXYPPPLJ-NEPJUHHUSA-N -1 0 318.289 -0.413 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cc(=O)cc[nH]1)[C@H](O)c1ccncc1 ZINC001574308538 1026757618 /nfs/dbraw/zinc/75/76/18/1026757618.db2.gz LXFYNMJTNQYAER-NWDGAFQWSA-N -1 0 303.274 -0.314 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)N[C@H](CO)C[C@@H]2CCCO2)C1 ZINC001574310415 1026757701 /nfs/dbraw/zinc/75/77/01/1026757701.db2.gz SDYWDAHCYWFQHE-DCAQKATOSA-N -1 0 301.343 -0.032 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1ccnc(CO)c1)[C@H](O)c1ccncc1 ZINC001574307817 1026758057 /nfs/dbraw/zinc/75/80/57/1026758057.db2.gz CBOBZQZONDSKQS-CHWSQXEVSA-N -1 0 317.301 -0.115 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cc(=O)[nH]cn1)[C@H](O)c1ccncc1 ZINC001574307810 1026758080 /nfs/dbraw/zinc/75/80/80/1026758080.db2.gz BZPZIOSPPXHYGJ-WDEREUQCSA-N -1 0 304.262 -0.506 20 0 DBADRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)c1nc2n(n1)CCCN2 ZINC001574307803 1026758175 /nfs/dbraw/zinc/75/81/75/1026758175.db2.gz BYMUJPXJHBIQBL-DTWKUNHWSA-N -1 0 309.326 -0.897 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2c[nH]cc(Cl)c2=O)C1 ZINC001574311710 1026758774 /nfs/dbraw/zinc/75/87/74/1026758774.db2.gz NLCNHILKESCHEE-RCOVLWMOSA-N -1 0 315.713 -0.271 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2ncnc3[nH]ccc32)C1 ZINC001574312249 1026758851 /nfs/dbraw/zinc/75/88/51/1026758851.db2.gz YRUIHXYAMWWNAA-IONNQARKSA-N -1 0 305.294 -0.390 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2ccc3nonc3c2)C1 ZINC001574311347 1026759086 /nfs/dbraw/zinc/75/90/86/1026759086.db2.gz HNQPICYGDLTUOO-GZMMTYOYSA-N -1 0 306.278 -0.077 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2ccc3nonc3c2)[C@@H](CO)C1 ZINC001574311348 1026759454 /nfs/dbraw/zinc/75/94/54/1026759454.db2.gz HNQPICYGDLTUOO-KCJUWKMLSA-N -1 0 306.278 -0.077 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2ccc3nncn3c2)C1 ZINC001574311328 1026759819 /nfs/dbraw/zinc/75/98/19/1026759819.db2.gz GXUNVOPZBODFRK-UWVGGRQHSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2cnn3cccnc23)C1 ZINC001574311718 1026759825 /nfs/dbraw/zinc/75/98/25/1026759825.db2.gz NVSHDUMJGJBTQD-WCBMZHEXSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2cn3cccnc3n2)C1 ZINC001574312156 1026760000 /nfs/dbraw/zinc/76/00/00/1026760000.db2.gz VHNJYHHGOLOAGU-IUCAKERBSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)NCCc2ccns2)C1 ZINC001574323907 1026761540 /nfs/dbraw/zinc/76/15/40/1026761540.db2.gz QZZPACHYJKYKQU-WCBMZHEXSA-N -1 0 314.367 -0.045 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)CCC1 ZINC001574322122 1026761691 /nfs/dbraw/zinc/76/16/91/1026761691.db2.gz LQEIGLJUYCLTFX-MNOVXSKESA-N -1 0 320.349 -0.213 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)NCC[C@@H]2CCOC2)C1 ZINC001574319183 1026761930 /nfs/dbraw/zinc/76/19/30/1026761930.db2.gz HLWMCUYHYXGMOB-OUAUKWLOSA-N -1 0 301.343 -0.317 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)NC[C@@H]2CCCOC2)[C@@H](CO)C1 ZINC001574319151 1026762048 /nfs/dbraw/zinc/76/20/48/1026762048.db2.gz GWWCWYRHAJUTLW-AXFHLTTASA-N -1 0 301.343 -0.317 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)NCc2ncccc2F)C1 ZINC001574334979 1026763243 /nfs/dbraw/zinc/76/32/43/1026763243.db2.gz YHKPSTMFAUDJPW-GZMMTYOYSA-N -1 0 312.301 -0.009 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)NCc2ncccc2F)[C@@H](CO)C1 ZINC001574334980 1026763665 /nfs/dbraw/zinc/76/36/65/1026763665.db2.gz YHKPSTMFAUDJPW-KCJUWKMLSA-N -1 0 312.301 -0.009 20 0 DBADRM O=C([O-])[C@@H](F)[C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001574345251 1026763804 /nfs/dbraw/zinc/76/38/04/1026763804.db2.gz KJFQGHIBVLCOHW-KWQFWETISA-N -1 0 320.284 -0.058 20 0 DBADRM O=C([O-])c1c[nH]c(NC(=O)c2cc(N3CCOCC3)ncn2)n1 ZINC001574345307 1026763949 /nfs/dbraw/zinc/76/39/49/1026763949.db2.gz GQRAUMODIFAKMA-UHFFFAOYSA-N -1 0 318.293 -0.013 20 0 DBADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC001574339008 1026764067 /nfs/dbraw/zinc/76/40/67/1026764067.db2.gz HSQPXAXGQZIOMC-NXEZZACHSA-N -1 0 314.319 -0.336 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)NCC[C@H]2CCCO2)C1 ZINC001574323972 1026764401 /nfs/dbraw/zinc/76/44/01/1026764401.db2.gz XPPYJAGSGAZOAX-GMTAPVOTSA-N -1 0 301.343 -0.175 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(C[C@H](O)CO)c1 ZINC001574332436 1026764685 /nfs/dbraw/zinc/76/46/85/1026764685.db2.gz LCSPYOIGNVPEBD-TUAOUCFPSA-N -1 0 311.338 -0.391 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)Nc2n[nH]nc2C(=O)NC2CC2)C1 ZINC001574338766 1026764702 /nfs/dbraw/zinc/76/47/02/1026764702.db2.gz OTUWCPUOEPCYSN-MRVPVSSYSA-N -1 0 320.309 -0.008 20 0 DBADRM O=C([O-])c1cc(CNC(=O)N[C@@H](CO)C2CCOCC2)on1 ZINC001574326763 1026764993 /nfs/dbraw/zinc/76/49/93/1026764993.db2.gz GEFWXTPJTSREBE-NSHDSACASA-N -1 0 313.310 -0.041 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)Cc1noc2c1CCCC2 ZINC001574345521 1026765535 /nfs/dbraw/zinc/76/55/35/1026765535.db2.gz NPDQQNCVDROLSQ-MRVPVSSYSA-N -1 0 304.324 -0.582 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NC[C@@H]2CCCS2(=O)=O)CCC1 ZINC001574351597 1026766122 /nfs/dbraw/zinc/76/61/22/1026766122.db2.gz FDFLNGLDSDWIIY-QMMMGPOBSA-N -1 0 311.381 -0.510 20 0 DBADRM O=C([O-])C1CCN(C(=O)N[C@H]2CCc3nnnn3CC2)CC1 ZINC001574355665 1026766890 /nfs/dbraw/zinc/76/68/90/1026766890.db2.gz GZTVSKLLXIEGKR-JTQLQIEISA-N -1 0 308.342 -0.116 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)CC1 ZINC001574355624 1026766958 /nfs/dbraw/zinc/76/69/58/1026766958.db2.gz FREHCPRRKDQUKF-MVWJERBFSA-N -1 0 318.395 -0.127 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)Nc2cnc3ccnn3c2)C1 ZINC001574345612 1026767375 /nfs/dbraw/zinc/76/73/75/1026767375.db2.gz LSTAFXXKJZJDSZ-PSASIEDQSA-N -1 0 320.309 -0.179 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cc2nnc(C3CC3)[nH]2)CC12COC2 ZINC001574355630 1026767391 /nfs/dbraw/zinc/76/73/91/1026767391.db2.gz GCUVNGNDRAOCHY-VIFPVBQESA-N -1 0 306.322 -0.216 20 0 DBADRM O=C([O-])C1CCN(C(=O)N[C@@H]2CCc3nnnn3CC2)CC1 ZINC001574355666 1026767418 /nfs/dbraw/zinc/76/74/18/1026767418.db2.gz GZTVSKLLXIEGKR-SNVBAGLBSA-N -1 0 308.342 -0.116 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N[C@H](CO)[C@@H]2CCCOC2)CCC1 ZINC001574352883 1026767475 /nfs/dbraw/zinc/76/74/75/1026767475.db2.gz KTMSUTSMFIMXBX-NXEZZACHSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H](CO)c1cccnc1 ZINC001574356072 1026768139 /nfs/dbraw/zinc/76/81/39/1026768139.db2.gz XPWGNWFXGNMPHF-QWRGUYRKSA-N -1 0 315.351 -0.502 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)Cn1ncc(=O)c2ccccc21 ZINC001574357949 1026768171 /nfs/dbraw/zinc/76/81/71/1026768171.db2.gz SKCILUIKKRFNGA-SECBINFHSA-N -1 0 305.290 -0.652 20 0 DBADRM O=C([O-])C[C@@H](CO)NC(=O)CNC(=O)OCC(F)(F)F ZINC001574358743 1026768539 /nfs/dbraw/zinc/76/85/39/1026768539.db2.gz XVQFUPBPTCDAPA-YFKPBYRVSA-N -1 0 302.205 -0.773 20 0 DBADRM O=C([O-])C[C@@H](CO)NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2O ZINC001574358822 1026768610 /nfs/dbraw/zinc/76/86/10/1026768610.db2.gz ZEARPQJUTKHBTE-WRWORJQWSA-N -1 0 310.306 -0.278 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@H](CO)c1cccnc1 ZINC001574356071 1026768663 /nfs/dbraw/zinc/76/86/63/1026768663.db2.gz XPWGNWFXGNMPHF-MNOVXSKESA-N -1 0 315.351 -0.502 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)Cn1nnnc1-c1ccccc1 ZINC001574356794 1026768677 /nfs/dbraw/zinc/76/86/77/1026768677.db2.gz KSHHASRRALFUAO-SNVBAGLBSA-N -1 0 305.294 -0.708 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NC[C@@H](O)c1cncs1 ZINC001574355919 1026769130 /nfs/dbraw/zinc/76/91/30/1026769130.db2.gz SKUCMEAPJLXJMS-HTQZYQBOSA-N -1 0 321.380 -0.440 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N[C@@H]1CCC2(C1)OCCO2 ZINC001574355705 1026769262 /nfs/dbraw/zinc/76/92/62/1026769262.db2.gz INDAJDIWQQXJEP-NXEZZACHSA-N -1 0 320.367 -0.335 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001574355925 1026769679 /nfs/dbraw/zinc/76/96/79/1026769679.db2.gz SRQAHJHXVPTKDE-DCAQKATOSA-N -1 0 321.374 -0.492 20 0 DBADRM O=C([O-])C[C@@H](O)CN1C(=O)N2CCCC[C@@H]2CS1(=O)=O ZINC001574364686 1026770210 /nfs/dbraw/zinc/77/02/10/1026770210.db2.gz HKWYSOLBEIWSKQ-RKDXNWHRSA-N -1 0 306.340 -0.558 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC001574361370 1026770269 /nfs/dbraw/zinc/77/02/69/1026770269.db2.gz GZOFOTZLJBZEAS-NHYWBVRUSA-N -1 0 304.302 -0.056 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC001574361351 1026770340 /nfs/dbraw/zinc/77/03/40/1026770340.db2.gz GUHGAWNEVVIONI-ZJUUUORDSA-N -1 0 305.352 -0.752 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC001574362838 1026770539 /nfs/dbraw/zinc/77/05/39/1026770539.db2.gz MDJYQPOHHLJMMU-JBLDHEPKSA-N -1 0 301.339 -0.352 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001574363107 1026770623 /nfs/dbraw/zinc/77/06/23/1026770623.db2.gz NVXVPJALPFFNII-SKDRFNHKSA-N -1 0 305.352 -0.751 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC001574364994 1026770861 /nfs/dbraw/zinc/77/08/61/1026770861.db2.gz LHTXKUAZUNQCCM-LURJTMIESA-N -1 0 320.348 -0.612 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC001574362727 1026770920 /nfs/dbraw/zinc/77/09/20/1026770920.db2.gz VOPMVHPTUAGEDU-MWLCHTKSSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001574363339 1026771210 /nfs/dbraw/zinc/77/12/10/1026771210.db2.gz OXDDHNXPWHLIJD-STQMWFEESA-N -1 0 320.345 -0.013 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC001574362726 1026771440 /nfs/dbraw/zinc/77/14/40/1026771440.db2.gz VOPMVHPTUAGEDU-KOLCDFICSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])CC1(NS(=O)(=O)c2c[nH]c3ncncc23)COC1 ZINC001574365309 1026772041 /nfs/dbraw/zinc/77/20/41/1026772041.db2.gz UCJRBJKYJGXYHM-UHFFFAOYSA-N -1 0 312.307 -0.569 20 0 DBADRM O=C([O-])CC1(NC(=O)Cn2nnnc2-c2ccccc2)COC1 ZINC001574365355 1026772380 /nfs/dbraw/zinc/77/23/80/1026772380.db2.gz VYNPMJIHSSKEMT-UHFFFAOYSA-N -1 0 317.305 -0.300 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)CN2CCCCS2(=O)=O)n1 ZINC001574375104 1026772408 /nfs/dbraw/zinc/77/24/08/1026772408.db2.gz DWHMSMRLVRSYOV-UHFFFAOYSA-N -1 0 316.339 -0.668 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1COCCN1C[C@H]1CCCC[C@@H]1O ZINC001574372393 1026772720 /nfs/dbraw/zinc/77/27/20/1026772720.db2.gz PMIYCFTZSDYULN-WOPDTQHZSA-N -1 0 300.355 -0.561 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1COCCN1C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001574372412 1026772800 /nfs/dbraw/zinc/77/28/00/1026772800.db2.gz QPFWDSPLGUCFRH-SDDRHHMPSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])CN1CCCN(C(=O)CS(=O)(=O)C2CC2)CC1 ZINC001574371992 1026773749 /nfs/dbraw/zinc/77/37/49/1026773749.db2.gz LZLFKIUOSMXFJT-UHFFFAOYSA-N -1 0 304.368 -0.818 20 0 DBADRM O=C([O-])N1CCC[C@H](C(=O)N2CCC[C@@H](CO)[C@H]2CO)C1 ZINC001574377176 1026774873 /nfs/dbraw/zinc/77/48/73/1026774873.db2.gz NVKSMTAERWXCPG-SDDRHHMPSA-N -1 0 300.355 -0.032 20 0 DBADRM O=C([O-])Cc1csc(CNS(=O)(=O)[C@H]2CCOC2)n1 ZINC001574375320 1026775324 /nfs/dbraw/zinc/77/53/24/1026775324.db2.gz KSKPRZVJUMUQLQ-QMMMGPOBSA-N -1 0 306.365 -0.022 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)C[C@H]2CCCS2(=O)=O)n1 ZINC001574375588 1026775662 /nfs/dbraw/zinc/77/56/62/1026775662.db2.gz SDGHMNBJENGYIB-SSDOTTSWSA-N -1 0 302.312 -0.732 20 0 DBADRM O=C([O-])N1CCN(C(=O)c2nc(-c3cnccn3)no2)CC1 ZINC001574376637 1026776044 /nfs/dbraw/zinc/77/60/44/1026776044.db2.gz HMGDDCOHYXUALV-UHFFFAOYSA-N -1 0 304.266 -0.038 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)N[C@@H]3CCCS(=O)(=O)C3)C[C@@H]21 ZINC001574403126 1026776965 /nfs/dbraw/zinc/77/69/65/1026776965.db2.gz JIUCNIZGZQIHBD-CHWFTXMASA-N -1 0 316.379 -0.074 20 0 DBADRM O=C([O-])NCCC(=O)N[C@H](CO)C(=O)OCc1ccccc1 ZINC001574380658 1026777025 /nfs/dbraw/zinc/77/70/25/1026777025.db2.gz CEAWXMAWYNCNAX-LLVKDONJSA-N -1 0 310.306 -0.135 20 0 DBADRM O=C([O-])N[C@@H]1CCCN(C(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001574380834 1026777244 /nfs/dbraw/zinc/77/72/44/1026777244.db2.gz JPEKBFMOHMEDMO-SSDOTTSWSA-N -1 0 319.268 -0.308 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001574387538 1026777695 /nfs/dbraw/zinc/77/76/95/1026777695.db2.gz BDKNZOOSIOHQFA-CWSCBRNRSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)N[C@H]3CCc4nnnn4CC3)C[C@@H]21 ZINC001574403103 1026777952 /nfs/dbraw/zinc/77/79/52/1026777952.db2.gz HNPGRVGMOUINIM-MIZYBKAJSA-N -1 0 320.353 -0.260 20 0 DBADRM O=C([O-])N[C@H]1CCCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)C1 ZINC001574381158 1026777970 /nfs/dbraw/zinc/77/79/70/1026777970.db2.gz WJDPIKHGOXFXCB-JMJZKYOTSA-N -1 0 309.326 -0.154 20 0 DBADRM O=C([O-])N[C@@H]1CCCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001574380627 1026778844 /nfs/dbraw/zinc/77/88/44/1026778844.db2.gz BDVVWYOQUTWZGP-SECBINFHSA-N -1 0 320.309 -0.850 20 0 DBADRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001574381063 1026779222 /nfs/dbraw/zinc/77/92/22/1026779222.db2.gz SEVWURNUOAKHHE-UPJWGTAASA-N -1 0 308.334 -0.181 20 0 DBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)c1 ZINC001574412826 1026779591 /nfs/dbraw/zinc/77/95/91/1026779591.db2.gz OXBDHSSHHGKGOC-MNOVXSKESA-N -1 0 319.310 -0.360 20 0 DBADRM O=C([O-])c1c[nH]nc1[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001574414942 1026780481 /nfs/dbraw/zinc/78/04/81/1026780481.db2.gz LRSNGLAKLRNJIA-VIFPVBQESA-N -1 0 321.337 -0.161 20 0 DBADRM O=C([O-])c1c[nH]nc1[C@@H]1CCN(C(=O)c2cnn(CCO)c2)C1 ZINC001574414880 1026780558 /nfs/dbraw/zinc/78/05/58/1026780558.db2.gz HVEIPESVXCNXKE-SECBINFHSA-N -1 0 319.321 -0.074 20 0 DBADRM O=C([O-])c1cc(CN2CCS(=O)(=O)C[C@@H]2CCO)on1 ZINC001574409411 1026781077 /nfs/dbraw/zinc/78/10/77/1026781077.db2.gz ZLMWVJLYDGVUKU-QMMMGPOBSA-N -1 0 304.324 -0.646 20 0 DBADRM O=C([O-])c1cc(CNC(=O)N2CCN3C(=O)NC[C@H]3C2)on1 ZINC001574409397 1026781266 /nfs/dbraw/zinc/78/12/66/1026781266.db2.gz ZFTOMXKBCRRDCN-ZETCQYMHSA-N -1 0 309.282 -0.708 20 0 DBADRM O=C([O-])c1cc(CS(=O)(=O)NC2CC(CCO)C2)on1 ZINC001574408094 1026781306 /nfs/dbraw/zinc/78/13/06/1026781306.db2.gz GFORGLJBKFULQM-UHFFFAOYSA-N -1 0 304.324 -0.047 20 0 DBADRM O=C([O-])c1cnn2cc(CN3CCN4CCOC[C@H]4C3)cnc12 ZINC001574422760 1026781866 /nfs/dbraw/zinc/78/18/66/1026781866.db2.gz MRSPBJBATIRVOA-GFCCVEGCSA-N -1 0 317.349 -0.056 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)c2cccn(C3CC3)c2=O)n1 ZINC001574422703 1026782206 /nfs/dbraw/zinc/78/22/06/1026782206.db2.gz KWYUKVJGWGBWFO-UHFFFAOYSA-N -1 0 303.278 -0.071 20 0 DBADRM O=C([O-])c1cnc(N2CCS(=O)(=O)C[C@@H]2CCO)cn1 ZINC001574417565 1026782348 /nfs/dbraw/zinc/78/23/48/1026782348.db2.gz MVCARICCERFPQK-QMMMGPOBSA-N -1 0 301.324 -0.839 20 0 DBADRM O=C([O-])c1ncc(Br)c(N[C@@H]2COC[C@@H]2O)n1 ZINC001574423392 1026782385 /nfs/dbraw/zinc/78/23/85/1026782385.db2.gz PFHVMPJQQKQYEB-RITPCOANSA-N -1 0 304.100 -0.469 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@@H](CO)CC1CC1 ZINC001574418384 1026783500 /nfs/dbraw/zinc/78/35/00/1026783500.db2.gz WNGLSTLJQFVLRG-QMMMGPOBSA-N -1 0 303.340 -0.205 20 0 DBADRM O=C([O-])c1n[nH]c(C2CCN(C(=O)CCc3cn[nH]n3)CC2)n1 ZINC001574423217 1026783710 /nfs/dbraw/zinc/78/37/10/1026783710.db2.gz LUPRSDBQBXEECH-UHFFFAOYSA-N -1 0 319.325 -0.040 20 0 DBADRM O=C([O-])c1cnn(C2CCN(C(=O)[C@@]3(O)CCOC3)CC2)c1 ZINC001574418390 1026783944 /nfs/dbraw/zinc/78/39/44/1026783944.db2.gz WRCJLFPUUUQPDK-CQSZACIVSA-N -1 0 309.322 -0.104 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@H](CO)CC1CC1 ZINC001574418383 1026784096 /nfs/dbraw/zinc/78/40/96/1026784096.db2.gz WNGLSTLJQFVLRG-MRVPVSSYSA-N -1 0 303.340 -0.205 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@H]1CCC(=O)NC1)[C@@H](O)c1ccncc1 ZINC001574430658 1026784539 /nfs/dbraw/zinc/78/45/39/1026784539.db2.gz KKLRCVNBDZPVDJ-FZQKWOKYSA-N -1 0 321.333 -0.399 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CC3(C2)CC(=O)Nc2nccn23)on1 ZINC001574430513 1026785118 /nfs/dbraw/zinc/78/51/18/1026785118.db2.gz INACBVYKTIQPFR-UHFFFAOYSA-N -1 0 317.261 -0.237 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCC[C@H]2CNC(=O)C2)CC1 ZINC001574430888 1026785477 /nfs/dbraw/zinc/78/54/77/1026785477.db2.gz NQUUNXJPKOGRRI-SECBINFHSA-N -1 0 319.383 -0.856 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)[C@H]2CC(=O)N[C@@H]3CCCC[C@H]32)n1 ZINC001574429890 1026785573 /nfs/dbraw/zinc/78/55/73/1026785573.db2.gz ABDKWRNHDNJGHB-XHNCKOQMSA-N -1 0 321.337 -0.186 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@H]1CCCC(=O)N1)[C@@H](O)c1cccnc1 ZINC001574430313 1026786037 /nfs/dbraw/zinc/78/60/37/1026786037.db2.gz FQOSPLPUQNDYOB-HONMWMINSA-N -1 0 321.333 -0.257 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@H]1CCC(=O)NC1)[C@H](O)c1ccncc1 ZINC001574430657 1026786142 /nfs/dbraw/zinc/78/61/42/1026786142.db2.gz KKLRCVNBDZPVDJ-BIGNPOOSSA-N -1 0 321.333 -0.399 20 0 DBADRM O=C([O-])c1c[nH]nc1[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001574428291 1026786278 /nfs/dbraw/zinc/78/62/78/1026786278.db2.gz HHXFEGYTXRDOMS-BDAKNGLRSA-N -1 0 306.322 -0.050 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCC[C@@H]2CNC(=O)C2)C1 ZINC001574431488 1026787331 /nfs/dbraw/zinc/78/73/31/1026787331.db2.gz YNNPIYBCJNRDJC-VHSXEESVSA-N -1 0 319.383 -0.856 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Nc2cnc3c(c2)CNC3=O)CCO1 ZINC001574435987 1026787418 /nfs/dbraw/zinc/78/74/18/1026787418.db2.gz ZYJXXRWOMHIFBG-SECBINFHSA-N -1 0 306.278 -0.358 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CSCC(=O)N1)c1cccc(O)c1 ZINC001574434462 1026787459 /nfs/dbraw/zinc/78/74/59/1026787459.db2.gz ASQBCBPVJYSJCX-ONGXEEELSA-N -1 0 310.331 -0.134 20 0 DBADRM Cc1nnc2ccc(C(=O)NCCOCCOCC(=O)[O-])cn12 ZINC001574436493 1026788595 /nfs/dbraw/zinc/78/85/95/1026788595.db2.gz VVHYXDNQLQHYBP-UHFFFAOYSA-N -1 0 322.321 -0.115 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@@H]3CC(C(=O)[O-])=NO3)CC2)cn1 ZINC001574458232 1026791193 /nfs/dbraw/zinc/79/11/93/1026791193.db2.gz NWIZJFVTZLRJJH-NSHDSACASA-N -1 0 307.310 -0.702 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@]1(OCCO)CCOC1 ZINC001574464867 1026791368 /nfs/dbraw/zinc/79/13/68/1026791368.db2.gz DLTBPZKLTGAIQR-CYBMUJFWSA-N -1 0 313.310 -0.984 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC(S(N)(=O)=O)CC1 ZINC001574462609 1026791616 /nfs/dbraw/zinc/79/16/16/1026791616.db2.gz WLDBPWPDRCWZOQ-UHFFFAOYSA-N -1 0 316.339 -0.989 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC(Cc2nn[nH]n2)CC1 ZINC001574462751 1026791766 /nfs/dbraw/zinc/79/17/66/1026791766.db2.gz YGCDTPONIIWGKR-UHFFFAOYSA-N -1 0 319.325 -0.274 20 0 DBADRM NC(=O)Cn1ccc(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)n1 ZINC001574500594 1026792429 /nfs/dbraw/zinc/79/24/29/1026792429.db2.gz OJTKOKBFEVMQSN-IUCAKERBSA-N -1 0 310.310 -0.423 20 0 DBADRM Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001574507746 1026792928 /nfs/dbraw/zinc/79/29/28/1026792928.db2.gz XDIOGYBESDQYSM-RKDXNWHRSA-N -1 0 321.337 -0.476 20 0 DBADRM NC(=O)c1cccc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001574502597 1026793206 /nfs/dbraw/zinc/79/32/06/1026793206.db2.gz CYZBHRKVSIVKIK-MRVPVSSYSA-N -1 0 320.305 -0.558 20 0 DBADRM COC(=O)c1cccn(CC(=O)NC2(C(=O)[O-])CCC2)c1=O ZINC001574577452 1026794708 /nfs/dbraw/zinc/79/47/08/1026794708.db2.gz NXDDNIGQBOHHFX-UHFFFAOYSA-N -1 0 308.290 -0.242 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCC2)cn1 ZINC001574565111 1026795194 /nfs/dbraw/zinc/79/51/94/1026795194.db2.gz IFNCMGKVTYKZEU-UHFFFAOYSA-N -1 0 313.335 -0.273 20 0 DBADRM CN(CC(N)=O)C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001574558861 1026795250 /nfs/dbraw/zinc/79/52/50/1026795250.db2.gz JSDFIQKSLSGXJF-ZETCQYMHSA-N -1 0 303.315 -0.702 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)N[C@@H]1COC[C@@H]1O)O2 ZINC001574565449 1026796075 /nfs/dbraw/zinc/79/60/75/1026796075.db2.gz UWZYCOVTVFUKAA-SNQIEMRPSA-N -1 0 314.338 -0.542 20 0 DBADRM O=C([O-])c1cc(C(=O)NCC2CCS(=O)(=O)CC2)[nH]n1 ZINC001574567716 1026796158 /nfs/dbraw/zinc/79/61/58/1026796158.db2.gz MOTHNZHESQGCAK-UHFFFAOYSA-N -1 0 301.324 -0.338 20 0 DBADRM O=C([O-])C1(C(=O)N(CCO)CCOCCO)CCSCC1 ZINC001574621188 1026796729 /nfs/dbraw/zinc/79/67/29/1026796729.db2.gz NEIUSTHWPZPEHZ-UHFFFAOYSA-N -1 0 321.395 -0.586 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ncoc2[C@H]2CCCO2)CC1 ZINC001574616443 1026796889 /nfs/dbraw/zinc/79/68/89/1026796889.db2.gz OWUMZVVJBYRESU-SECBINFHSA-N -1 0 323.305 -0.105 20 0 DBADRM COC[C@H](CO)NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001574590722 1026797306 /nfs/dbraw/zinc/79/73/06/1026797306.db2.gz CIKXLJVPNPEXJE-IUCAKERBSA-N -1 0 320.342 -0.522 20 0 DBADRM COc1cc(C=O)ccc1OCC(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC001574603309 1026797476 /nfs/dbraw/zinc/79/74/76/1026797476.db2.gz CJEGSNPBAPBVDO-SDBXPKJASA-N -1 0 311.290 -0.163 20 0 DBADRM O=C([O-])C1(C(=O)NCCCCCCO)CCS(=O)(=O)CC1 ZINC001574630494 1026800370 /nfs/dbraw/zinc/80/03/70/1026800370.db2.gz RMIOEMGKFHBMBH-UHFFFAOYSA-N -1 0 321.395 -0.065 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)C1 ZINC001574644391 1026800389 /nfs/dbraw/zinc/80/03/89/1026800389.db2.gz UPJBCHGVJWOVDK-MNOVXSKESA-N -1 0 321.264 -0.113 20 0 DBADRM C[C@H](O)[C@H](NC(=O)Cc1nnc(-c2ccccc2)n1C)C(=O)[O-] ZINC001574661910 1026800527 /nfs/dbraw/zinc/80/05/27/1026800527.db2.gz BAJWHIYGXSDWLL-ZANVPECISA-N -1 0 318.333 -0.025 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001574661644 1026800665 /nfs/dbraw/zinc/80/06/65/1026800665.db2.gz QIGLFSQYWHCGFK-ZDLIJIFBSA-N -1 0 311.290 -0.981 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC12CCOCC2 ZINC001574669144 1026801517 /nfs/dbraw/zinc/80/15/17/1026801517.db2.gz QKTWSUPKOGOQRY-UWVGGRQHSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])CN(CC1CC1)C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001574710817 1026801603 /nfs/dbraw/zinc/80/16/03/1026801603.db2.gz CDHLNSFYCOYUJS-SECBINFHSA-N -1 0 323.309 -0.677 20 0 DBADRM O=C([O-])CCCCNC(=O)N1CCS(=O)(=O)C[C@@H]1CCO ZINC001574702297 1026801797 /nfs/dbraw/zinc/80/17/97/1026801797.db2.gz XHSKYMYMEJZLPT-JTQLQIEISA-N -1 0 322.383 -0.568 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cncc(Cl)n1 ZINC001574669568 1026802651 /nfs/dbraw/zinc/80/26/51/1026802651.db2.gz UOEZWILHPRANCL-SSDOTTSWSA-N -1 0 319.726 -0.546 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)C[C@H]2CCNC2=O)C1=O ZINC001574723135 1026803144 /nfs/dbraw/zinc/80/31/44/1026803144.db2.gz XGCLRAAQSYTADS-ZJUUUORDSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NS(=O)(=O)[C@@H]2CCOC2)C1=O ZINC001574723188 1026803404 /nfs/dbraw/zinc/80/34/04/1026803404.db2.gz AZFJDFCRYWMRLN-NXEZZACHSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)Cc2cncc(O)c2)C1=O ZINC001574720957 1026803412 /nfs/dbraw/zinc/80/34/12/1026803412.db2.gz AWZRCIXOQWRADN-LBPRGKRZSA-N -1 0 321.333 -0.088 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC000424514168 282081406 /nfs/dbraw/zinc/08/14/06/282081406.db2.gz FWBSKZROVOKZNE-SECBINFHSA-N -1 0 313.354 -0.660 20 0 DBADRM COCc1ncc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c(N)n1 ZINC000354333572 412497668 /nfs/dbraw/zinc/49/76/68/412497668.db2.gz WALVBVKLGVJJGL-UHFFFAOYSA-N -1 0 307.314 -0.609 20 0 DBADRM CC[C@@H](NC(=O)Cc1c(C)nc2nc(N)nn2c1C)C(=O)[O-] ZINC000517565803 412500975 /nfs/dbraw/zinc/50/09/75/412500975.db2.gz LVHCJDWYCAPNND-SECBINFHSA-N -1 0 306.326 -0.155 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000424511271 529872424 /nfs/dbraw/zinc/87/24/24/529872424.db2.gz SUSYXSSMWBYGEJ-JTQLQIEISA-N -1 0 309.326 -0.625 20 0 DBADRM CNC(=O)[C@@H]1CCCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000195088344 529899734 /nfs/dbraw/zinc/89/97/34/529899734.db2.gz XKQGVRZAKCIYKT-ZETCQYMHSA-N -1 0 303.306 -0.016 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)CC1=O ZINC000408502915 534962131 /nfs/dbraw/zinc/96/21/31/534962131.db2.gz RNUHRAWQWBIRPE-WDEREUQCSA-N -1 0 318.395 -0.130 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)CC1=O ZINC000408505147 534962166 /nfs/dbraw/zinc/96/21/66/534962166.db2.gz WGDGFYFIALBZRP-VHSXEESVSA-N -1 0 304.368 -0.520 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-] ZINC000568001967 412526528 /nfs/dbraw/zinc/52/65/28/412526528.db2.gz MUZWWLPEHWACSA-ZETCQYMHSA-N -1 0 319.339 -0.182 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@]1(C)CCC(=O)NC1 ZINC000408475991 412527701 /nfs/dbraw/zinc/52/77/01/412527701.db2.gz IUDRDWPUOMUZRE-LLVKDONJSA-N -1 0 316.339 -0.714 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000568769536 412527849 /nfs/dbraw/zinc/52/78/49/412527849.db2.gz YKJWSEIUCUOACO-VDTYLAMSSA-N -1 0 305.312 -0.572 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000575057359 412529229 /nfs/dbraw/zinc/52/92/29/412529229.db2.gz RRIXNIPMSXBCOC-VIFPVBQESA-N -1 0 307.353 -0.196 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000564926581 412531084 /nfs/dbraw/zinc/53/10/84/412531084.db2.gz NHDVLCLKZKATIX-JGVFFNPUSA-N -1 0 319.339 -0.277 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000583630781 412537688 /nfs/dbraw/zinc/53/76/88/412537688.db2.gz UGBISNUXOSXMTE-SSDOTTSWSA-N -1 0 320.353 0.045 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@@H]1CCCCC(=O)N1 ZINC000281816523 304001045 /nfs/dbraw/zinc/00/10/45/304001045.db2.gz KXECLKFPIGJQHT-NSHDSACASA-N -1 0 316.321 -0.047 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000566225031 412539602 /nfs/dbraw/zinc/53/96/02/412539602.db2.gz PUFHTBAAZJASPY-LLVKDONJSA-N -1 0 320.353 0.091 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000376674262 290868984 /nfs/dbraw/zinc/86/89/84/290868984.db2.gz RSBZCAOKCCYEKH-UHFFFAOYSA-N -1 0 323.367 -0.261 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)CSCC(=O)N1CCOCC1 ZINC000054051462 295798912 /nfs/dbraw/zinc/79/89/12/295798912.db2.gz OILBLFVDWPOBIC-VIFPVBQESA-N -1 0 304.368 -0.490 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000420545974 304049350 /nfs/dbraw/zinc/04/93/50/304049350.db2.gz BDSWMNCZBHVKRJ-NXEZZACHSA-N -1 0 311.338 -0.763 20 0 DBADRM O=C([O-])CCCNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000261818043 304051482 /nfs/dbraw/zinc/05/14/82/304051482.db2.gz HTCQEIDVGMRHTG-VIFPVBQESA-N -1 0 303.340 -0.012 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000420540313 304054100 /nfs/dbraw/zinc/05/41/00/304054100.db2.gz VZIROVFHJYTVQR-SECBINFHSA-N -1 0 308.290 -0.467 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1C[C@H](O)C[C@H]1c1ccccc1 ZINC000420603395 304054139 /nfs/dbraw/zinc/05/41/39/304054139.db2.gz UYUZZFJFAPNUBE-NEPJUHHUSA-N -1 0 306.318 -0.088 20 0 DBADRM CCCN1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1=O ZINC000276415310 138095068 /nfs/dbraw/zinc/09/50/68/138095068.db2.gz INDPPDJCQMDDRP-UHFFFAOYSA-N -1 0 313.383 -0.339 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000276474328 138095278 /nfs/dbraw/zinc/09/52/78/138095278.db2.gz DDIOVBBPUOTVBE-LBPRGKRZSA-N -1 0 316.321 -0.095 20 0 DBADRM O=c1[n-]c([C@@H]2CCCN(S(=O)(=O)[C@@H]3CCOC3)C2)n[nH]1 ZINC000328868534 138097847 /nfs/dbraw/zinc/09/78/47/138097847.db2.gz XKQHJOHDTCGROD-RKDXNWHRSA-N -1 0 302.356 -0.192 20 0 DBADRM COCCc1nc(=NCCn2cc(C(=O)OC)nn2)s[n-]1 ZINC000343053964 138130037 /nfs/dbraw/zinc/13/00/37/138130037.db2.gz UGSCHDYHVYATTP-UHFFFAOYSA-N -1 0 312.355 -0.361 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ncn(C)c1C(N)=O ZINC000356508065 138143334 /nfs/dbraw/zinc/14/33/34/138143334.db2.gz OYIZUZNAYCCNHK-UHFFFAOYSA-N -1 0 312.355 -0.330 20 0 DBADRM COC[C@@H](CO)NC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000354740698 138136528 /nfs/dbraw/zinc/13/65/28/138136528.db2.gz NHYVXVCWMVQFSQ-SSDOTTSWSA-N -1 0 316.383 -0.681 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000372315312 138166177 /nfs/dbraw/zinc/16/61/77/138166177.db2.gz LCNKTYAFMAMTIO-GFCCVEGCSA-N -1 0 322.383 -0.087 20 0 DBADRM O=C(Cc1[nH]c(O)nc1O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000358526006 138150506 /nfs/dbraw/zinc/15/05/06/138150506.db2.gz KPVRWOQNPKNWJW-MRVPVSSYSA-N -1 0 301.266 -0.597 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)CC(N)=O)c1 ZINC000362213370 138151703 /nfs/dbraw/zinc/15/17/03/138151703.db2.gz IFYSKWMRDZFPPH-UHFFFAOYSA-N -1 0 315.351 -0.800 20 0 DBADRM O=C(CNC(=O)c1nn(-c2ccccc2)cc1[O-])NCCO ZINC000362914724 138152644 /nfs/dbraw/zinc/15/26/44/138152644.db2.gz VSOBIWVWQNUKFF-UHFFFAOYSA-N -1 0 304.306 -0.584 20 0 DBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]OC[C@H]1CCOC1 ZINC000370060244 138155398 /nfs/dbraw/zinc/15/53/98/138155398.db2.gz OGJCFRJXSQUNTF-JTQLQIEISA-N -1 0 311.338 -0.065 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CC1=O ZINC000370217985 138155950 /nfs/dbraw/zinc/15/59/50/138155950.db2.gz BNOQXFFEWXODOQ-KHQFGBGNSA-N -1 0 306.322 -0.775 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1COCCN1C1CCCC1 ZINC000370554621 138158648 /nfs/dbraw/zinc/15/86/48/138158648.db2.gz OVDDRYNICWYQOE-LLVKDONJSA-N -1 0 310.354 -0.335 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000373155006 138171200 /nfs/dbraw/zinc/17/12/00/138171200.db2.gz VDICVLNOBIWQFS-SNVBAGLBSA-N -1 0 307.306 -0.470 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)CC1=O ZINC000373857729 138174222 /nfs/dbraw/zinc/17/42/22/138174222.db2.gz CPUNUILGDCUSNG-CSMHCCOUSA-N -1 0 315.317 -0.018 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)[N-]CC(F)(F)F)CC1=O ZINC000373857723 138174231 /nfs/dbraw/zinc/17/42/31/138174231.db2.gz CPUNUILGDCUSNG-BWZBUEFSSA-N -1 0 315.317 -0.018 20 0 DBADRM O=C(CN1CC[C@H]2OCC(=O)N[C@@H]2C1)[N-]OCc1ccccc1 ZINC000373968824 138175038 /nfs/dbraw/zinc/17/50/38/138175038.db2.gz NFESOFZCWKTLMS-ZIAGYGMSSA-N -1 0 319.361 -0.176 20 0 DBADRM O=C([C@@H]1CSCCS1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000372680349 138168731 /nfs/dbraw/zinc/16/87/31/138168731.db2.gz HVRVQYXJKUZPTI-SFYZADRCSA-N -1 0 301.397 -0.052 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@H](CC(N)=O)C2)cc1C(=O)[O-] ZINC000376671585 138188937 /nfs/dbraw/zinc/18/89/37/138188937.db2.gz JKNCBORNNHLHGG-MRVPVSSYSA-N -1 0 315.351 -0.391 20 0 DBADRM CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000407951695 138200398 /nfs/dbraw/zinc/20/03/98/138200398.db2.gz SMMJCFAINPVOFV-JTQLQIEISA-N -1 0 303.384 -0.010 20 0 DBADRM O=C(CN1CCCCC1=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000408135994 138208142 /nfs/dbraw/zinc/20/81/42/138208142.db2.gz AJEPBOSUGHAMHD-LLVKDONJSA-N -1 0 318.395 -0.129 20 0 DBADRM Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)cn12 ZINC000408194635 138210545 /nfs/dbraw/zinc/21/05/45/138210545.db2.gz ZDBPJMKDXBYACG-SNVBAGLBSA-N -1 0 310.335 -0.114 20 0 DBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000408243784 138212021 /nfs/dbraw/zinc/21/20/21/138212021.db2.gz BCHZZRADLMWWEL-LLVKDONJSA-N -1 0 306.384 -0.809 20 0 DBADRM Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)c2n1 ZINC000408390650 138217466 /nfs/dbraw/zinc/21/74/66/138217466.db2.gz XZICRDMJJMRPFU-VIFPVBQESA-N -1 0 310.335 -0.114 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1ccc2nncn2c1 ZINC000408405289 138217775 /nfs/dbraw/zinc/21/77/75/138217775.db2.gz CNGSRSOHCFIUCP-JTQLQIEISA-N -1 0 310.335 -0.032 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)C1 ZINC000408406457 138217929 /nfs/dbraw/zinc/21/79/29/138217929.db2.gz HTFROROFNJSIQA-QWRGUYRKSA-N -1 0 318.395 -0.130 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)C1 ZINC000408409246 138217966 /nfs/dbraw/zinc/21/79/66/138217966.db2.gz VSACKYULJZVNEK-RYUDHWBXSA-N -1 0 318.395 -0.130 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000408405759 138218148 /nfs/dbraw/zinc/21/81/48/138218148.db2.gz RXDHVBUVQISNFB-UHFFFAOYSA-N -1 0 308.338 -0.574 20 0 DBADRM CC(C)C(=O)N[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000408407378 138218314 /nfs/dbraw/zinc/21/83/14/138218314.db2.gz XBNWABNWPWBVMP-JTQLQIEISA-N -1 0 322.365 -0.137 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000408428434 138218717 /nfs/dbraw/zinc/21/87/17/138218717.db2.gz UQJYKATXJNDBDR-ONGXEEELSA-N -1 0 316.379 -0.378 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408446435 138219097 /nfs/dbraw/zinc/21/90/97/138219097.db2.gz LLWCDVCCEUKCQA-VHSXEESVSA-N -1 0 304.368 -0.330 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000408451211 138219250 /nfs/dbraw/zinc/21/92/50/138219250.db2.gz LBJSPZVJTXYQKB-JTQLQIEISA-N -1 0 316.383 -0.746 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1n[nH]c2c1CCCCC2 ZINC000408483023 138220157 /nfs/dbraw/zinc/22/01/57/138220157.db2.gz VWCFYWZELOTUKQ-UHFFFAOYSA-N -1 0 300.340 -0.777 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ncccc2F)CC1=O ZINC000408476684 138220248 /nfs/dbraw/zinc/22/02/48/138220248.db2.gz BTZZEWQQYDKSMQ-QMMMGPOBSA-N -1 0 315.326 -0.106 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1cc2n(n1)CCO2 ZINC000408474528 138220300 /nfs/dbraw/zinc/22/03/00/138220300.db2.gz BWWYSMJGEAYNCK-QMMMGPOBSA-N -1 0 301.324 -0.486 20 0 DBADRM CS(=O)(=O)[N-]C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000408486438 138220333 /nfs/dbraw/zinc/22/03/33/138220333.db2.gz JEXWCUPVRBZCOB-GHMZBOCLSA-N -1 0 316.379 -0.497 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCO2)[C@H]1COCCO1 ZINC000408485177 138220366 /nfs/dbraw/zinc/22/03/66/138220366.db2.gz PJLSWESGWGITEZ-GFCCVEGCSA-N -1 0 313.331 -0.158 20 0 DBADRM Cc1c(CC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)cnn1C ZINC000408487165 138220374 /nfs/dbraw/zinc/22/03/74/138220374.db2.gz VCEWRMSIBOAWSR-LLVKDONJSA-N -1 0 301.368 -0.104 20 0 DBADRM CN(C)c1cnc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cn1 ZINC000408501099 138220385 /nfs/dbraw/zinc/22/03/85/138220385.db2.gz PSXBVQFGEQJQEP-VIFPVBQESA-N -1 0 314.367 -0.219 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)C1 ZINC000408484118 138220401 /nfs/dbraw/zinc/22/04/01/138220401.db2.gz YUTQEODGEDGREI-VWYCJHECSA-N -1 0 318.395 -0.097 20 0 DBADRM COc1cncc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)n1 ZINC000408478209 138220408 /nfs/dbraw/zinc/22/04/08/138220408.db2.gz IMVGVFBQBCIHBR-MRVPVSSYSA-N -1 0 301.324 -0.276 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2 ZINC000408483102 138220464 /nfs/dbraw/zinc/22/04/64/138220464.db2.gz LWSRSKFPRSVJFS-UHFFFAOYSA-N -1 0 311.323 -0.482 20 0 DBADRM CC(C)(C)n1cnc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)n1 ZINC000408476210 138220474 /nfs/dbraw/zinc/22/04/74/138220474.db2.gz KBNNOVGJXYBOMJ-MRVPVSSYSA-N -1 0 302.356 -0.118 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)CC2 ZINC000408476717 138220481 /nfs/dbraw/zinc/22/04/81/138220481.db2.gz BZUDXXKPRTXECQ-GXSJLCMTSA-N -1 0 313.379 -0.240 20 0 DBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)CCC(=O)NC1 ZINC000408478807 138220487 /nfs/dbraw/zinc/22/04/87/138220487.db2.gz KMKMHRYTYBJUBP-JOYOIKCWSA-N -1 0 304.368 -0.472 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1cc2n(n1)CCCO2 ZINC000408489797 138220558 /nfs/dbraw/zinc/22/05/58/138220558.db2.gz WDTZMVOLZLEZJS-SECBINFHSA-N -1 0 315.351 -0.096 20 0 DBADRM C[C@]1(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)CCC(=O)NC1 ZINC000408479118 138220575 /nfs/dbraw/zinc/22/05/75/138220575.db2.gz LNSOYFPKCXGJJL-MFKMUULPSA-N -1 0 318.395 -0.082 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)NCc3ccc[nH]3)cc-2c(=O)[n-]1 ZINC000176730001 236970608 /nfs/dbraw/zinc/97/06/08/236970608.db2.gz OGEUIWXAVMPMDJ-UHFFFAOYSA-N -1 0 321.318 -0.582 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@@]1(C(=O)OC)CCOC1 ZINC000340873950 291226690 /nfs/dbraw/zinc/22/66/90/291226690.db2.gz CPZMYQAXUMRHEM-KWQFWETISA-N -1 0 309.340 -0.953 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])nc1C ZINC000088376771 283558130 /nfs/dbraw/zinc/55/81/30/283558130.db2.gz OUPKXYBJYBXSAV-VIFPVBQESA-N -1 0 303.340 -0.314 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](CC)C(=O)[O-] ZINC000089069152 283558132 /nfs/dbraw/zinc/55/81/32/283558132.db2.gz GZNQIMQHQGXKET-BDAKNGLRSA-N -1 0 308.356 -0.289 20 0 DBADRM O=C(c1nc(=O)[nH][n-]1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000119717255 283561172 /nfs/dbraw/zinc/56/11/72/283561172.db2.gz LECQUDJVAAGSQF-UHFFFAOYSA-N -1 0 307.354 -0.037 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)no1 ZINC000091294186 283559653 /nfs/dbraw/zinc/55/96/53/283559653.db2.gz WGSPTWSXOMZECM-SNVBAGLBSA-N -1 0 304.324 -0.012 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C1 ZINC000147380829 283576464 /nfs/dbraw/zinc/57/64/64/283576464.db2.gz GRBZGRXJGPVSLK-ZJUUUORDSA-N -1 0 322.383 -0.041 20 0 DBADRM C[C@@]1(CO)CCC[C@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000161878280 283580857 /nfs/dbraw/zinc/58/08/57/283580857.db2.gz SLZHFQQCQFWOSP-BMIGLBTASA-N -1 0 318.333 -0.108 20 0 DBADRM C[C@]1(CO)CCC[C@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000161878150 283580900 /nfs/dbraw/zinc/58/09/00/283580900.db2.gz SLZHFQQCQFWOSP-MEBBXXQBSA-N -1 0 318.333 -0.108 20 0 DBADRM O=C(N[C@]1(CCO)CCOC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000447066174 238321478 /nfs/dbraw/zinc/32/14/78/238321478.db2.gz FATUMRDXWOVVEM-CQSZACIVSA-N -1 0 320.305 -0.293 20 0 DBADRM O=C(CCS(=O)(=O)C1CCCC1)NCCc1nc(=O)o[n-]1 ZINC000447637470 238331181 /nfs/dbraw/zinc/33/11/81/238331181.db2.gz TZJXQWUGPSGRPY-UHFFFAOYSA-N -1 0 317.367 -0.231 20 0 DBADRM O=C(NCCCc1ccccc1)C(=O)NCCc1nc(=O)o[n-]1 ZINC000447631933 238332181 /nfs/dbraw/zinc/33/21/81/238332181.db2.gz BHESQLJYYNSXQO-UHFFFAOYSA-N -1 0 318.333 -0.229 20 0 DBADRM O=C(Cn1c(=O)cnc2ccccc21)NCCc1nc(=O)o[n-]1 ZINC000447634667 238332587 /nfs/dbraw/zinc/33/25/87/238332587.db2.gz TYWLXNJZSJFPSD-UHFFFAOYSA-N -1 0 315.289 -0.568 20 0 DBADRM COC[C@@H](NC(=O)C(=O)NCCCc1ccccc1)C(=O)[O-] ZINC000449002872 238350893 /nfs/dbraw/zinc/35/08/93/238350893.db2.gz NMFQRVJCTVFFKX-GFCCVEGCSA-N -1 0 308.334 -0.049 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](C)NC(=O)COc1ccccc1)C(=O)[O-] ZINC000449001326 238351018 /nfs/dbraw/zinc/35/10/18/238351018.db2.gz KMNDMGALYWJVOF-ZYHUDNBSSA-N -1 0 324.333 -0.214 20 0 DBADRM C[C@@H](NC(=O)COc1ccccc1)C(=O)NCCOCC(=O)[O-] ZINC000449000107 238351841 /nfs/dbraw/zinc/35/18/41/238351841.db2.gz YGGCKCANMCSEBU-LLVKDONJSA-N -1 0 324.333 -0.213 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000450501941 238359530 /nfs/dbraw/zinc/35/95/30/238359530.db2.gz SABOGVUXLWWGAZ-NSHDSACASA-N -1 0 300.336 -0.180 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000451672764 238384817 /nfs/dbraw/zinc/38/48/17/238384817.db2.gz TZCLYKRKAGIYLB-SECBINFHSA-N -1 0 319.349 -0.181 20 0 DBADRM CNS(=O)(=O)c1cccc2c1CCN(Cc1nc(=O)[n-][nH]1)C2 ZINC000284654247 283643926 /nfs/dbraw/zinc/64/39/26/283643926.db2.gz GEDWQNSFAPPQQQ-UHFFFAOYSA-N -1 0 323.378 -0.436 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000536568189 283661375 /nfs/dbraw/zinc/66/13/75/283661375.db2.gz DLYCITWYYKEEOY-LLVKDONJSA-N -1 0 312.347 -0.048 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000540704390 283683449 /nfs/dbraw/zinc/68/34/49/283683449.db2.gz ZHYKKOUEBXPAPU-GFCCVEGCSA-N -1 0 322.383 -0.688 20 0 DBADRM CC(=O)NCCN(C(=O)c1cn2cccnc2n1)[C@H](C)C(=O)[O-] ZINC000542824374 283700450 /nfs/dbraw/zinc/70/04/50/283700450.db2.gz FYZZHOFUOFFTSU-SECBINFHSA-N -1 0 319.321 -0.219 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cccc2c1OCCO2)C(=O)[O-] ZINC000547566271 283745032 /nfs/dbraw/zinc/74/50/32/283745032.db2.gz WGPNESRNQKEXGR-SECBINFHSA-N -1 0 317.319 -0.164 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)[O-] ZINC000547551119 283743775 /nfs/dbraw/zinc/74/37/75/283743775.db2.gz YHKMWBDJIDHDBI-IUCAKERBSA-N -1 0 311.356 -0.263 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000547556860 283744554 /nfs/dbraw/zinc/74/45/54/283744554.db2.gz DBSCNKLXXMCYGN-RKDXNWHRSA-N -1 0 303.340 -0.422 20 0 DBADRM COCCCCS(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000547606199 283746495 /nfs/dbraw/zinc/74/64/95/283746495.db2.gz GQLPSGIPWXLTMO-LZVRBXCZSA-N -1 0 313.397 -0.740 20 0 DBADRM CCC(CC)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000547605464 283746587 /nfs/dbraw/zinc/74/65/87/283746587.db2.gz CMSPUIKRPICOEH-VIFPVBQESA-N -1 0 313.397 -0.312 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000547902802 283757601 /nfs/dbraw/zinc/75/76/01/283757601.db2.gz BSNNQOCIZZLKCY-SFYZADRCSA-N -1 0 301.324 -0.819 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@H](C)[C@@H]1C(=O)[O-] ZINC000547919362 283759365 /nfs/dbraw/zinc/75/93/65/283759365.db2.gz HCAJZDJMMXOKIN-WDEREUQCSA-N -1 0 324.399 -0.379 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])CCO1 ZINC000547917053 283759224 /nfs/dbraw/zinc/75/92/24/283759224.db2.gz ZYOOIRJGSIFCMO-VIFPVBQESA-N -1 0 308.356 -0.873 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)N(C)CC2)C(=O)[O-] ZINC000547872157 283755240 /nfs/dbraw/zinc/75/52/40/283755240.db2.gz QCMALRRNWPDVSP-PELKAZGASA-N -1 0 314.363 -0.209 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCOC1)NS(=O)(=O)C[C@H]1CCOC1 ZINC000547876851 283755727 /nfs/dbraw/zinc/75/57/27/283755727.db2.gz PLEFKZXDFIGQDL-VWYCJHECSA-N -1 0 307.368 -0.178 20 0 DBADRM CC(C)CCS(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000547893229 283757460 /nfs/dbraw/zinc/75/74/60/283757460.db2.gz CBOUCSIFRQSPPG-JTQLQIEISA-N -1 0 306.384 -0.115 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)C3CC3)C2)C1 ZINC000548244963 283772345 /nfs/dbraw/zinc/77/23/45/283772345.db2.gz XICRYPMAMYCXKP-DTWKUNHWSA-N -1 0 302.352 -0.514 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)CCCS(C)(=O)=O)[C@H]1C(=O)[O-] ZINC000548249128 283772410 /nfs/dbraw/zinc/77/24/10/283772410.db2.gz MBCQSAJAYLKLFM-RKDXNWHRSA-N -1 0 313.397 -0.454 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)NC[C@H](OC)C(=O)[O-])c1C ZINC000548214620 283770729 /nfs/dbraw/zinc/77/07/29/283770729.db2.gz PJHZSXHDGVOXLA-VIFPVBQESA-N -1 0 305.356 -0.102 20 0 DBADRM CCn1cnc(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])c1 ZINC000548236792 283771765 /nfs/dbraw/zinc/77/17/65/283771765.db2.gz LNSOSSCKUWRMES-VIFPVBQESA-N -1 0 305.356 -0.251 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)NCCCCC(=O)[O-])cn1 ZINC000548239359 283771806 /nfs/dbraw/zinc/77/18/06/283771806.db2.gz DFTNYIDJPCWZLT-UHFFFAOYSA-N -1 0 319.339 -0.411 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000548232365 283771929 /nfs/dbraw/zinc/77/19/29/283771929.db2.gz NYSFGUBLHAQHAL-NXEZZACHSA-N -1 0 323.367 -0.573 20 0 DBADRM CCOC(=O)CCS(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-] ZINC000548356355 283776643 /nfs/dbraw/zinc/77/66/43/283776643.db2.gz GSZDHPCIHIKDLY-NSHDSACASA-N -1 0 311.356 -0.668 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000548257005 283773357 /nfs/dbraw/zinc/77/33/57/283773357.db2.gz PPGPYFJYYQODPB-YLVJLNSGSA-N -1 0 321.380 -0.767 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](C)CCC(=O)[O-])cn1 ZINC000548265308 283773603 /nfs/dbraw/zinc/77/36/03/283773603.db2.gz ZTMVSSBHQVJLKQ-QMMMGPOBSA-N -1 0 319.339 -0.412 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000548558192 283784773 /nfs/dbraw/zinc/78/47/73/283784773.db2.gz MDJJCOIIGLKODE-UHFFFAOYSA-N -1 0 322.364 -0.571 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC000548558761 283784896 /nfs/dbraw/zinc/78/48/96/283784896.db2.gz ANPQCRWRUKQZAA-VIFPVBQESA-N -1 0 311.356 -0.573 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC000548560097 283784900 /nfs/dbraw/zinc/78/49/00/283784900.db2.gz QCCKGBBVRUFWSW-DTWKUNHWSA-N -1 0 311.356 -0.717 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC000548560099 283784936 /nfs/dbraw/zinc/78/49/36/283784936.db2.gz QCCKGBBVRUFWSW-IUCAKERBSA-N -1 0 311.356 -0.717 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC000548558760 283784955 /nfs/dbraw/zinc/78/49/55/283784955.db2.gz ANPQCRWRUKQZAA-SECBINFHSA-N -1 0 311.356 -0.573 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000548535296 283783329 /nfs/dbraw/zinc/78/33/29/283783329.db2.gz ZCPGEUUVKBGZEU-JTQLQIEISA-N -1 0 302.356 -0.278 20 0 DBADRM C[C@@](CO)(CNS(=O)(=O)N1CCOC(C)(C)C1)CC(=O)[O-] ZINC000548683736 283789094 /nfs/dbraw/zinc/78/90/94/283789094.db2.gz GDCISAHWBTYQKT-LBPRGKRZSA-N -1 0 324.399 -0.595 20 0 DBADRM CCCCN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000548580338 283785753 /nfs/dbraw/zinc/78/57/53/283785753.db2.gz UTPMWOJQKDUHLQ-VHSXEESVSA-N -1 0 321.399 -0.386 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000548577253 283785766 /nfs/dbraw/zinc/78/57/66/283785766.db2.gz ORZJSBMKFUTLEY-JQWIXIFHSA-N -1 0 306.384 -0.004 20 0 DBADRM Nc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cc1 ZINC000548585987 283785914 /nfs/dbraw/zinc/78/59/14/283785914.db2.gz YZXGIMSIWPRGNI-APBUJDDRSA-N -1 0 318.376 -0.525 20 0 DBADRM O=C([O-])[C@H](Cc1ccco1)NS(=O)(=O)N1CCOCC1 ZINC000548588779 283786622 /nfs/dbraw/zinc/78/66/22/283786622.db2.gz WFRZVQAFLFFKDY-JTQLQIEISA-N -1 0 304.324 -0.558 20 0 DBADRM COCC(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC000548778194 283793265 /nfs/dbraw/zinc/79/32/65/283793265.db2.gz RWQBRWKBPYCVJZ-UHFFFAOYSA-N -1 0 307.306 -0.289 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-] ZINC000549021515 283797599 /nfs/dbraw/zinc/79/75/99/283797599.db2.gz GODQDVCTNLRSIR-ZETCQYMHSA-N -1 0 303.292 -0.207 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)CN2CCN(C)C(=O)C2)s[n-]1 ZINC000549367470 283799461 /nfs/dbraw/zinc/79/94/61/283799461.db2.gz XTFLPWTVJGHGLW-MRVPVSSYSA-N -1 0 313.383 -0.620 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000550937056 283807921 /nfs/dbraw/zinc/80/79/21/283807921.db2.gz ACCDBGXXRMFGIC-SECBINFHSA-N -1 0 309.340 -0.555 20 0 DBADRM CCC[C@H](NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-] ZINC000262607109 283931672 /nfs/dbraw/zinc/93/16/72/283931672.db2.gz ACKAJKYMICLVMQ-JTQLQIEISA-N -1 0 312.388 -0.331 20 0 DBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)CCCCF ZINC000554431080 283932976 /nfs/dbraw/zinc/93/29/76/283932976.db2.gz YGEJPXUXLASDGQ-RKDXNWHRSA-N -1 0 310.347 -0.284 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)CCS1(=O)=O ZINC000333607433 304130542 /nfs/dbraw/zinc/13/05/42/304130542.db2.gz RJZMLHMFAKSCQY-JXUBOQSCSA-N -1 0 302.352 -0.322 20 0 DBADRM C[C@H]1CN(C(=O)CC(C)(C)C(=O)[O-])CCN1S(C)(=O)=O ZINC000561768251 284003270 /nfs/dbraw/zinc/00/32/70/284003270.db2.gz ZYOOSVVYBLPOBJ-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])cc1 ZINC000562382852 284008988 /nfs/dbraw/zinc/00/89/88/284008988.db2.gz UWLFUSXELRPACM-VIFPVBQESA-N -1 0 320.348 -0.818 20 0 DBADRM CC[C@@H](CCNS(=O)(=O)N(C)CCC(=O)OC)C(=O)[O-] ZINC000562651133 284013665 /nfs/dbraw/zinc/01/36/65/284013665.db2.gz GCLMERAWGNJHMX-VIFPVBQESA-N -1 0 310.372 -0.183 20 0 DBADRM C[C@](CO)(CNS(=O)(=O)CCOCC1CC1)CC(=O)[O-] ZINC000562999012 284019350 /nfs/dbraw/zinc/01/93/50/284019350.db2.gz FUQMNGRGCMIRLF-GFCCVEGCSA-N -1 0 309.384 -0.194 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000563114775 284024615 /nfs/dbraw/zinc/02/46/15/284024615.db2.gz MWBYOMSERBKQEH-VIFPVBQESA-N -1 0 318.337 -0.267 20 0 DBADRM C[C@@H]1CCN(c2ccc(C(=O)NCCO)nn2)C[C@H]1C(=O)[O-] ZINC000563131601 284025422 /nfs/dbraw/zinc/02/54/22/284025422.db2.gz MGXSGCDKRDKLTM-NXEZZACHSA-N -1 0 308.338 -0.254 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000563140198 284025946 /nfs/dbraw/zinc/02/59/46/284025946.db2.gz FYVHXNKKAGMJLS-NSHDSACASA-N -1 0 313.354 -0.706 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)CCn2cccn2)C[C@@H]1C(=O)[O-] ZINC000563139621 284026072 /nfs/dbraw/zinc/02/60/72/284026072.db2.gz AFUKUYOPYXWNTM-RYUDHWBXSA-N -1 0 322.365 -0.089 20 0 DBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)N2CCOCC2)C1 ZINC000563081257 284021832 /nfs/dbraw/zinc/02/18/32/284021832.db2.gz OQPDDAHXCVKLKT-NXEZZACHSA-N -1 0 308.356 -0.873 20 0 DBADRM CO[C@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)N2CCOCC2)C1 ZINC000563081260 284021866 /nfs/dbraw/zinc/02/18/66/284021866.db2.gz OQPDDAHXCVKLKT-ZJUUUORDSA-N -1 0 308.356 -0.873 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000563149699 284026864 /nfs/dbraw/zinc/02/68/64/284026864.db2.gz KIJGUBPMBFTTEG-UHFFFAOYSA-N -1 0 319.361 -0.078 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)N1C(=O)CCC1=O ZINC000563190978 284028438 /nfs/dbraw/zinc/02/84/38/284028438.db2.gz AWMMULMEQQECCQ-DTWKUNHWSA-N -1 0 321.337 -0.246 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000563198808 284028637 /nfs/dbraw/zinc/02/86/37/284028637.db2.gz BECQSUSZJCYWPO-UHFFFAOYSA-N -1 0 321.333 -0.371 20 0 DBADRM O=C([O-])C(=O)N1CCN(Cc2cn(-c3ccccc3)nn2)CC1 ZINC000563216405 284029118 /nfs/dbraw/zinc/02/91/18/284029118.db2.gz KEYCLJNNSUKTRM-UHFFFAOYSA-N -1 0 315.333 -0.004 20 0 DBADRM CCCN(C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)[C@@H](C)C(=O)[O-] ZINC000563210651 284029227 /nfs/dbraw/zinc/02/92/27/284029227.db2.gz GQJLHCIIHLBTSI-UWVGGRQHSA-N -1 0 321.399 -0.085 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H]1C)C(=O)[O-] ZINC000563227761 284029629 /nfs/dbraw/zinc/02/96/29/284029629.db2.gz XAVBZINXGOBTGU-HRDYMLBCSA-N -1 0 309.340 -0.510 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)[C@@H]1CCO[C@H]1C)C(=O)[O-] ZINC000563227763 284029660 /nfs/dbraw/zinc/02/96/60/284029660.db2.gz XAVBZINXGOBTGU-XHNCKOQMSA-N -1 0 309.340 -0.510 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)[C@@H]1CCO[C@@H](C)C1)C(=O)[O-] ZINC000563226700 284029816 /nfs/dbraw/zinc/02/98/16/284029816.db2.gz SVTNSWYYIYMLHV-DJLDLDEBSA-N -1 0 309.340 -0.510 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)NC2(CCSCC2)C1=O ZINC000563148753 284026577 /nfs/dbraw/zinc/02/65/77/284026577.db2.gz ZRWSCWAVDSMSCZ-UHFFFAOYSA-N -1 0 301.324 -0.995 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000450539464 304139319 /nfs/dbraw/zinc/13/93/19/304139319.db2.gz KCTWIQVSLKDXRM-GARJFASQSA-N -1 0 316.379 -0.266 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)Cc1noc2ccccc21 ZINC000563430179 284038450 /nfs/dbraw/zinc/03/84/50/284038450.db2.gz DANZECLSBOHZRA-SECBINFHSA-N -1 0 300.292 -0.307 20 0 DBADRM CO[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@@H](C(=O)[O-])C1 ZINC000563449703 284040078 /nfs/dbraw/zinc/04/00/78/284040078.db2.gz PNTALQAEMNFVHN-VHSXEESVSA-N -1 0 320.367 -0.888 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C(=O)[O-] ZINC000563537657 284042737 /nfs/dbraw/zinc/04/27/37/284042737.db2.gz UWZRLPQKZMGHHM-OVYXKVPISA-N -1 0 317.367 -0.020 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000563569994 284043200 /nfs/dbraw/zinc/04/32/00/284043200.db2.gz YHSWVZCDYQLQTL-UWVGGRQHSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCCn2ccnn2)C[C@H]1C(=O)[O-] ZINC000563715439 284047704 /nfs/dbraw/zinc/04/77/04/284047704.db2.gz XQORCIJJCCGAOO-GHMZBOCLSA-N -1 0 323.353 -0.646 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000563888639 284051291 /nfs/dbraw/zinc/05/12/91/284051291.db2.gz QPAWPVVRTBLCJD-UHFFFAOYSA-N -1 0 307.306 -0.347 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)CCOC(F)(F)F)[C@@H]1CCOC1 ZINC000563791185 284048899 /nfs/dbraw/zinc/04/88/99/284048899.db2.gz QLTMECFWVAUQIG-RNFRBKRXSA-N -1 0 321.273 -0.068 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)CC2=O)cn1 ZINC000563810521 284049622 /nfs/dbraw/zinc/04/96/22/284049622.db2.gz NXRNKNYHDVKALF-WDEREUQCSA-N -1 0 322.321 -0.773 20 0 DBADRM CCOC(=O)c1cn(C)[n-]c1=NC(=O)N=c1cc(OC)n(C)[nH]1 ZINC000564401888 284059930 /nfs/dbraw/zinc/05/99/30/284059930.db2.gz PVDAJYDUVIHAQZ-UHFFFAOYSA-N -1 0 322.325 -0.173 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NC[C@@H](OC)C(=O)[O-])CCC1 ZINC000564637652 284063591 /nfs/dbraw/zinc/06/35/91/284063591.db2.gz CMURSATZMJLTMZ-MRVPVSSYSA-N -1 0 309.340 -0.651 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ncnn1-c1ccccc1 ZINC000564624129 284063609 /nfs/dbraw/zinc/06/36/09/284063609.db2.gz MQCPWMJRQULJKL-SNVBAGLBSA-N -1 0 323.378 -0.092 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(c3nccn4cnnc34)C2)nn1 ZINC000564840372 284068937 /nfs/dbraw/zinc/06/89/37/284068937.db2.gz GZCBJALUQKFMHS-MRVPVSSYSA-N -1 0 300.282 -0.135 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000564987239 284076658 /nfs/dbraw/zinc/07/66/58/284076658.db2.gz TWOIZVIQDSFELE-SECBINFHSA-N -1 0 320.367 -0.949 20 0 DBADRM Cc1nn2c(SCCNC(=O)NC(C)C)n[n-]c2nc1=O ZINC000564955649 284074783 /nfs/dbraw/zinc/07/47/83/284074783.db2.gz ZWDZOXYCARLXLO-UHFFFAOYSA-N -1 0 311.371 -0.079 20 0 DBADRM COC(=O)Cc1nc([N-]S(=O)(=O)C[C@H](OC)C2CC2)n[nH]1 ZINC000564971590 284075306 /nfs/dbraw/zinc/07/53/06/284075306.db2.gz APCHESDLJGNZJF-QMMMGPOBSA-N -1 0 318.355 -0.313 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)NCCCC(=O)[O-] ZINC000564987178 284076568 /nfs/dbraw/zinc/07/65/68/284076568.db2.gz SXZJBMRGNGVCNX-SECBINFHSA-N -1 0 322.383 -0.751 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000565043292 284079122 /nfs/dbraw/zinc/07/91/22/284079122.db2.gz HELVZQGMLUXSLI-LLVKDONJSA-N -1 0 320.301 -0.112 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N[C@@H](CO)[C@H]1CCCOC1 ZINC000565237219 284089986 /nfs/dbraw/zinc/08/99/86/284089986.db2.gz YQCNUMAKSKXIOW-YUMQZZPRSA-N -1 0 306.306 -0.240 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2nccn2C)C[C@@H]1C(=O)[O-] ZINC000565363846 284093428 /nfs/dbraw/zinc/09/34/28/284093428.db2.gz VPUNVBPQQYVZSD-MNOVXSKESA-N -1 0 322.365 -0.052 20 0 DBADRM O=C(Nc1cccc(CN2CCNC(=O)C2)c1)c1n[nH]c(=O)[n-]1 ZINC000565514054 284097493 /nfs/dbraw/zinc/09/74/93/284097493.db2.gz QMISUSFALHQGKE-UHFFFAOYSA-N -1 0 316.321 -0.306 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000565833669 284105558 /nfs/dbraw/zinc/10/55/58/284105558.db2.gz ODFZNOJOKSAWCJ-WDEREUQCSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@H](NC(=O)CNS(=O)(=O)c1cccc(F)c1)C(=O)[O-] ZINC000565658425 284101348 /nfs/dbraw/zinc/10/13/48/284101348.db2.gz NPEZXGFEJZWSQG-ZETCQYMHSA-N -1 0 304.299 -0.307 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000565655811 284101390 /nfs/dbraw/zinc/10/13/90/284101390.db2.gz ZGYLNIIPYUXUGG-UHFFFAOYSA-N -1 0 306.384 -0.125 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cnc(N)cn2)C1=O ZINC000565704284 284102426 /nfs/dbraw/zinc/10/24/26/284102426.db2.gz BBJRIPDIJYDCBX-LDYMZIIASA-N -1 0 321.337 -0.501 20 0 DBADRM CN(C)c1cccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1 ZINC000565752336 284103563 /nfs/dbraw/zinc/10/35/63/284103563.db2.gz NBBOXTZIVLPJDE-LLVKDONJSA-N -1 0 302.352 -0.134 20 0 DBADRM COc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])c(F)c1 ZINC000565750597 284103881 /nfs/dbraw/zinc/10/38/81/284103881.db2.gz XBLYWKOVHLSORM-UHFFFAOYSA-N -1 0 307.299 -0.098 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2C=CCCC2)CCS1(=O)=O ZINC000565827970 284105177 /nfs/dbraw/zinc/10/51/77/284105177.db2.gz DXUGETMGLDVVGO-NXEZZACHSA-N -1 0 302.352 -0.012 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cscn1 ZINC000565950197 284107981 /nfs/dbraw/zinc/10/79/81/284107981.db2.gz AWMPXBVJYDGCMI-SSDOTTSWSA-N -1 0 321.380 -0.257 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)ncn1 ZINC000565951800 284108058 /nfs/dbraw/zinc/10/80/58/284108058.db2.gz PGLISFWIANHQPO-IUCAKERBSA-N -1 0 322.321 -0.007 20 0 DBADRM CCN(CC(N)=O)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000231816126 374262384 /nfs/dbraw/zinc/26/23/84/374262384.db2.gz RSNWJKBWYRFEIT-UHFFFAOYSA-N -1 0 300.336 -0.190 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2s[n-]c(=O)c2Cl)CC1=O ZINC000622691362 374239799 /nfs/dbraw/zinc/23/97/99/374239799.db2.gz HFYKHHGSSYIKOV-UHFFFAOYSA-N -1 0 318.742 -0.728 20 0 DBADRM CO[C@@H](C)c1nc(=NC2CN(S(=O)(=O)N(C)C)C2)s[n-]1 ZINC000624705904 374306368 /nfs/dbraw/zinc/30/63/68/374306368.db2.gz HDRPJKVUQKMFAA-ZETCQYMHSA-N -1 0 321.428 -0.430 20 0 DBADRM COCCN(CCO)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000533413195 374325703 /nfs/dbraw/zinc/32/57/03/374325703.db2.gz LFSYSALDNSBSTE-UHFFFAOYSA-N -1 0 313.379 -0.051 20 0 DBADRM C[C@@H](CC(=O)[O-])NS(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000583992689 374341423 /nfs/dbraw/zinc/34/14/23/374341423.db2.gz ZLJYLMVLJARKIT-QMMMGPOBSA-N -1 0 315.413 -0.018 20 0 DBADRM O=C(CCC(=O)N1CCC[C@H](c2nnn[n-]2)C1)N1CCOCC1 ZINC000533573389 374394751 /nfs/dbraw/zinc/39/47/51/374394751.db2.gz XTJYSMYCDHCWPP-NSHDSACASA-N -1 0 322.369 -0.455 20 0 DBADRM C[C@@H]1C[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCO1 ZINC000235432859 374399130 /nfs/dbraw/zinc/39/91/30/374399130.db2.gz VCKLAEQZNQJGJC-BDAKNGLRSA-N -1 0 303.340 -0.187 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634655262 374402127 /nfs/dbraw/zinc/40/21/27/374402127.db2.gz LCLROFRRXYRLJT-PHIMTYICSA-N -1 0 304.368 -0.394 20 0 DBADRM Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2nc(=O)[nH][n-]2)cc1 ZINC000119374587 374404207 /nfs/dbraw/zinc/40/42/07/374404207.db2.gz VAAPRDVBSKTMAR-VIFPVBQESA-N -1 0 324.362 -0.001 20 0 DBADRM COCCOCCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000234816077 374390025 /nfs/dbraw/zinc/39/00/25/374390025.db2.gz JROLHRJVJRGWPD-UHFFFAOYSA-N -1 0 324.399 -0.330 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC1(C(=O)[O-])CCC1 ZINC000164920948 374432993 /nfs/dbraw/zinc/43/29/93/374432993.db2.gz XSZLTJHDOGLFNM-SECBINFHSA-N -1 0 320.367 -0.144 20 0 DBADRM COC[C@H](CNC(=O)N1CC[C@@](COC)(C(=O)[O-])C1)OC ZINC000314876730 374417357 /nfs/dbraw/zinc/41/73/57/374417357.db2.gz GLYKSMXBUQEEQE-GXFFZTMASA-N -1 0 304.343 -0.220 20 0 DBADRM O=C([O-])Cn1cc(CNS(=O)(=O)c2cccs2)nn1 ZINC000122866500 374427767 /nfs/dbraw/zinc/42/77/67/374427767.db2.gz QDFJBNJUIDUPBD-UHFFFAOYSA-N -1 0 302.337 -0.097 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)N1CCOCC1 ZINC000125981199 374428406 /nfs/dbraw/zinc/42/84/06/374428406.db2.gz KQRNQYNZDCRBKN-VIFPVBQESA-N -1 0 306.340 -0.988 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCNS(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC000128336224 374429577 /nfs/dbraw/zinc/42/95/77/374429577.db2.gz CADMOKVARBRIMP-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000330362999 374439595 /nfs/dbraw/zinc/43/95/95/374439595.db2.gz GJUSJEOOEFDCHK-SNVBAGLBSA-N -1 0 304.306 -0.051 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)c2cc(=O)[nH][n-]2)C1 ZINC000600321534 374494557 /nfs/dbraw/zinc/49/45/57/374494557.db2.gz SSXMVHWEBQAFDS-VXNVDRBHSA-N -1 0 311.294 -0.318 20 0 DBADRM O=C(CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCCC1 ZINC000047478016 374505158 /nfs/dbraw/zinc/50/51/58/374505158.db2.gz FKRZLUJHTLAHRP-UHFFFAOYSA-N -1 0 317.305 -0.624 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1=O ZINC000616422298 374514406 /nfs/dbraw/zinc/51/44/06/374514406.db2.gz UVWZUNNIIOROGX-ZETCQYMHSA-N -1 0 304.262 -0.194 20 0 DBADRM CC1(C(N)=O)CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000616452648 374523676 /nfs/dbraw/zinc/52/36/76/374523676.db2.gz COWSGWRIIFYFOQ-UHFFFAOYSA-N -1 0 302.290 -0.023 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CO1 ZINC000616496608 374532046 /nfs/dbraw/zinc/53/20/46/374532046.db2.gz KLMYSSWFSKXFTH-JGVFFNPUSA-N -1 0 300.336 -0.053 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000262126351 304184941 /nfs/dbraw/zinc/18/49/41/304184941.db2.gz NAQREJSHIUWAEA-SECBINFHSA-N -1 0 309.322 -0.073 20 0 DBADRM CCc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])s1 ZINC000048443469 374572123 /nfs/dbraw/zinc/57/21/23/374572123.db2.gz FVKKYCDVYWLTEP-ZETCQYMHSA-N -1 0 306.365 -0.083 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-] ZINC000158595596 374579157 /nfs/dbraw/zinc/57/91/57/374579157.db2.gz BWHWFXUQQMCHFH-SNVBAGLBSA-N -1 0 301.320 -0.001 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)CSCC(=O)N1CCOCC1 ZINC000036974175 304185017 /nfs/dbraw/zinc/18/50/17/304185017.db2.gz OZJHCFQWYXEZAS-SNVBAGLBSA-N -1 0 316.379 -0.346 20 0 DBADRM C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)C(=O)N1CCOCC1 ZINC000317407148 374591995 /nfs/dbraw/zinc/59/19/95/374591995.db2.gz MRWBKCAXWKMSJN-VIFPVBQESA-N -1 0 307.306 -0.243 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)C[C@H]1C(=O)[O-] ZINC000634698189 374592298 /nfs/dbraw/zinc/59/22/98/374592298.db2.gz CMJHAGYZIQUVGO-WISYIIOYSA-N -1 0 310.350 -0.340 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)CC[C@@H]1C(=O)[O-] ZINC000634698601 374593234 /nfs/dbraw/zinc/59/32/34/374593234.db2.gz RKFJBUIPPHJWRV-YFKTTZPYSA-N -1 0 310.350 -0.340 20 0 DBADRM CC[C@H](C(=O)[O-])N(C(=O)NCCNS(=O)(=O)CC)C1CC1 ZINC000568349749 374595156 /nfs/dbraw/zinc/59/51/56/374595156.db2.gz NVCXXOKOEPKASA-SNVBAGLBSA-N -1 0 321.399 -0.037 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC000621604528 374599627 /nfs/dbraw/zinc/59/96/27/374599627.db2.gz JRKXSWMFAQTDLR-MRVPVSSYSA-N -1 0 324.424 -0.410 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000089696256 374636980 /nfs/dbraw/zinc/63/69/80/374636980.db2.gz SGKPLJJBHJUMDA-UHFFFAOYSA-N -1 0 315.311 -0.440 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000576636277 374639253 /nfs/dbraw/zinc/63/92/53/374639253.db2.gz BLQDACOGJSEGMD-GFCCVEGCSA-N -1 0 322.383 -0.735 20 0 DBADRM CCCNC(=O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000048232064 374640589 /nfs/dbraw/zinc/64/05/89/374640589.db2.gz HKSPUOFBIKLHHZ-UHFFFAOYSA-N -1 0 305.294 -0.720 20 0 DBADRM O=C(CNC(=O)c1nc(=O)[nH][n-]1)N1CCCc2ccccc21 ZINC000126207526 374606445 /nfs/dbraw/zinc/60/64/45/374606445.db2.gz ASBJWWUNUCQENC-UHFFFAOYSA-N -1 0 301.306 -0.193 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])S(C)(=O)=O ZINC000568620547 374606851 /nfs/dbraw/zinc/60/68/51/374606851.db2.gz GPAOHCGNMLAGMB-MRVPVSSYSA-N -1 0 322.383 -0.847 20 0 DBADRM C[C@H]1CCN(C(=O)NCCNS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000584111199 374610861 /nfs/dbraw/zinc/61/08/61/374610861.db2.gz QOIMXDDMATUXCF-DTWKUNHWSA-N -1 0 307.372 -0.712 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H]1C)C(=O)[O-] ZINC000584116966 374643292 /nfs/dbraw/zinc/64/32/92/374643292.db2.gz QIABBUHCPTVHLC-KXUCPTDWSA-N -1 0 323.367 -0.120 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000620198090 374617753 /nfs/dbraw/zinc/61/77/53/374617753.db2.gz PYDNUWZNCMAMDI-RXMQYKEDSA-N -1 0 321.384 -0.237 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000088376744 374622608 /nfs/dbraw/zinc/62/26/08/374622608.db2.gz IONMDHUHDYYPQB-SECBINFHSA-N -1 0 303.340 -0.489 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)N1CCc2ccccc2C1 ZINC000090262792 374650363 /nfs/dbraw/zinc/65/03/63/374650363.db2.gz OOPLBIASQFNZSB-LLVKDONJSA-N -1 0 300.336 -0.675 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1 ZINC000090262700 374650673 /nfs/dbraw/zinc/65/06/73/374650673.db2.gz LORWIISZQVORLP-SECBINFHSA-N -1 0 303.292 -0.803 20 0 DBADRM CC(=O)Nc1ccc(C)c(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000090262585 374650755 /nfs/dbraw/zinc/65/07/55/374650755.db2.gz QZMSKQWMPOMIFS-JTQLQIEISA-N -1 0 316.335 -0.323 20 0 DBADRM CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1 ZINC000090262770 374650994 /nfs/dbraw/zinc/65/09/94/374650994.db2.gz RNIMJDHLSDNGQM-SNVBAGLBSA-N -1 0 302.308 -0.631 20 0 DBADRM CC(C)O[C@@]1(CS(=O)(=O)[N-][C@@H]2COCCC2=O)CCOC1 ZINC000625493336 374659570 /nfs/dbraw/zinc/65/95/70/374659570.db2.gz XNOAWPSQFZIZQB-YPMHNXCESA-N -1 0 321.395 -0.152 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)[O-] ZINC000090274737 374660884 /nfs/dbraw/zinc/66/08/84/374660884.db2.gz WBRAPGZXFHEPOO-GFCCVEGCSA-N -1 0 316.335 -0.377 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000625784207 374724404 /nfs/dbraw/zinc/72/44/04/374724404.db2.gz JGVJPFYTBDJEKJ-ZETCQYMHSA-N -1 0 300.340 -0.553 20 0 DBADRM COCC[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000052785898 374798986 /nfs/dbraw/zinc/79/89/86/374798986.db2.gz UXWQNQOOOLADIP-BBBLOLIVSA-N -1 0 310.372 -0.580 20 0 DBADRM Cc1nnc(CCNC(=O)CNC(=O)c2cccc(O)c2)[nH]1 ZINC000427000309 374832327 /nfs/dbraw/zinc/83/23/27/374832327.db2.gz BSXILURELLGVOS-UHFFFAOYSA-N -1 0 303.322 -0.093 20 0 DBADRM O=C(CN1CCN2C(=O)NC[C@@H]2C1)[N-]OCc1ccccc1 ZINC000093188132 374810254 /nfs/dbraw/zinc/81/02/54/374810254.db2.gz JGOCIDXQYHTODD-CYBMUJFWSA-N -1 0 304.350 -0.056 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000600496327 374786052 /nfs/dbraw/zinc/78/60/52/374786052.db2.gz CEWSUINOEVJABV-UHFFFAOYSA-N -1 0 311.305 -0.265 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC(O)(C(F)F)C1 ZINC000425014306 374789775 /nfs/dbraw/zinc/78/97/75/374789775.db2.gz ZKQTZTQIZLZTOX-UHFFFAOYSA-N -1 0 312.232 -0.112 20 0 DBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1nnn[n-]1 ZINC000600506356 374789839 /nfs/dbraw/zinc/78/98/39/374789839.db2.gz VXZKFMSOIGHRNE-UHFFFAOYSA-N -1 0 307.314 -0.929 20 0 DBADRM CN(C)S(=O)(=O)c1ccsc1C(=O)NCc1nnn[n-]1 ZINC000600505944 374790210 /nfs/dbraw/zinc/79/02/10/374790210.db2.gz UJZQXNAHPMYCHX-UHFFFAOYSA-N -1 0 316.368 -0.559 20 0 DBADRM Cc1ccccc1[C@H](CC(=O)NCc1nnn[n-]1)NC(N)=O ZINC000600503533 374790417 /nfs/dbraw/zinc/79/04/17/374790417.db2.gz UQDADKSYAUWSCL-JTQLQIEISA-N -1 0 303.326 -0.076 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N[C@@H](C(=O)[O-])C2CC2)C1 ZINC000400189924 374888307 /nfs/dbraw/zinc/88/83/07/374888307.db2.gz LENSMPUBETVNAP-RKDXNWHRSA-N -1 0 305.356 -0.817 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)N[C@H](C(=O)[O-])C2CC2)CC1 ZINC000400180403 374888727 /nfs/dbraw/zinc/88/87/27/374888727.db2.gz GWXBTRMNQXSJLY-JTQLQIEISA-N -1 0 319.383 -0.427 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000600657239 374836419 /nfs/dbraw/zinc/83/64/19/374836419.db2.gz GRNHSQSPGHNKKN-CABZTGNLSA-N -1 0 323.367 -0.167 20 0 DBADRM CCO[C@H](CS(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-])C1CC1 ZINC000600660398 374836590 /nfs/dbraw/zinc/83/65/90/374836590.db2.gz UPDHHHKGZIIJIT-NXEZZACHSA-N -1 0 323.367 -0.263 20 0 DBADRM CCn1nc(C)cc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000625949398 374942193 /nfs/dbraw/zinc/94/21/93/374942193.db2.gz FSRRVQWFOWBZBV-SECBINFHSA-N -1 0 310.310 -0.538 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000625953606 374947808 /nfs/dbraw/zinc/94/78/08/374947808.db2.gz JZGCKIZOMODPIY-HOMQSWHASA-N -1 0 319.317 -0.368 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000049064063 374948885 /nfs/dbraw/zinc/94/88/85/374948885.db2.gz ATJVJQFGXIDCMT-VIFPVBQESA-N -1 0 319.339 -0.722 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC000400262579 374902759 /nfs/dbraw/zinc/90/27/59/374902759.db2.gz IQLRSSXCODGRLE-VIFPVBQESA-N -1 0 313.335 -0.457 20 0 DBADRM CC[C@@](C)(CC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000634894092 375070047 /nfs/dbraw/zinc/07/00/47/375070047.db2.gz KMADENCTTAMCLD-LBPRGKRZSA-N -1 0 306.384 -0.019 20 0 DBADRM C[C@@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)C(=O)[O-] ZINC000262698855 375070412 /nfs/dbraw/zinc/07/04/12/375070412.db2.gz JCQJPXBSKWINNR-SCSAIBSYSA-N -1 0 320.099 -0.699 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000634922875 375075848 /nfs/dbraw/zinc/07/58/48/375075848.db2.gz MLYWYIAMOZEVHP-UWVGGRQHSA-N -1 0 318.395 -0.163 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000634924888 375076542 /nfs/dbraw/zinc/07/65/42/375076542.db2.gz LKHLCJJPUXISAI-MNOVXSKESA-N -1 0 307.354 -0.035 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000634922874 375076682 /nfs/dbraw/zinc/07/66/82/375076682.db2.gz MLYWYIAMOZEVHP-NXEZZACHSA-N -1 0 318.395 -0.163 20 0 DBADRM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(c2nccnn2)CC1 ZINC000634937663 375079050 /nfs/dbraw/zinc/07/90/50/375079050.db2.gz PVIQZRIVELISLY-NXEZZACHSA-N -1 0 305.338 -0.123 20 0 DBADRM CC[C@@H](C)C[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)[O-] ZINC000400596046 375088768 /nfs/dbraw/zinc/08/87/68/375088768.db2.gz BDYRSADDEMOYSN-NXEZZACHSA-N -1 0 311.338 -0.447 20 0 DBADRM C[C@@H](O[C@H](C)C(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000634862154 375063111 /nfs/dbraw/zinc/06/31/11/375063111.db2.gz SJRNCQHKGGTBJD-NXEZZACHSA-N -1 0 302.327 -0.818 20 0 DBADRM C[C@H](O[C@@H](C)C(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000634862155 375063839 /nfs/dbraw/zinc/06/38/39/375063839.db2.gz SJRNCQHKGGTBJD-UWVGGRQHSA-N -1 0 302.327 -0.818 20 0 DBADRM CCN(C)C(=O)[C@H]1CSCN1C(=O)CCCc1nnn[n-]1 ZINC000635474754 375134374 /nfs/dbraw/zinc/13/43/74/375134374.db2.gz BRBCJLYWVFOVJT-SECBINFHSA-N -1 0 312.399 -0.098 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCOC2(CCOCC2)C1 ZINC000635523028 375137763 /nfs/dbraw/zinc/13/77/63/375137763.db2.gz IZFBRWVHCIUBNA-UHFFFAOYSA-N -1 0 302.327 -0.321 20 0 DBADRM CCN1CC[C@@H](NC(=O)N2CC[C@](COC)(C(=O)[O-])C2)C1=O ZINC000635514941 375137784 /nfs/dbraw/zinc/13/77/84/375137784.db2.gz QKHIRLBDJAVDQU-YGRLFVJLSA-N -1 0 313.354 -0.260 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCCN(C)C2=O)C1 ZINC000635511529 375137832 /nfs/dbraw/zinc/13/78/32/375137832.db2.gz QYCVVVKBRJVQBH-YGRLFVJLSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000635522694 375138351 /nfs/dbraw/zinc/13/83/51/375138351.db2.gz DUWKIRVJZYFXNV-MNOVXSKESA-N -1 0 302.327 -0.323 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCCN(C)C2=O)C1 ZINC000635511528 375138371 /nfs/dbraw/zinc/13/83/71/375138371.db2.gz QYCVVVKBRJVQBH-QMTHXVAHSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H]1OCC[C@@]12CN(C(=O)NCCOCC(=O)[O-])CCO2 ZINC000635525506 375139366 /nfs/dbraw/zinc/13/93/66/375139366.db2.gz ZCVDYWFGHYMYBC-ZWNOBZJWSA-N -1 0 302.327 -0.323 20 0 DBADRM C[C@@H]1OCC[C@@]12CN(C(=O)NCCOCC(=O)[O-])CCO2 ZINC000635525497 375140381 /nfs/dbraw/zinc/14/03/81/375140381.db2.gz ZCVDYWFGHYMYBC-GXFFZTMASA-N -1 0 302.327 -0.323 20 0 DBADRM CCn1cnc(S(=O)(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000080715707 375147415 /nfs/dbraw/zinc/14/74/15/375147415.db2.gz QZJPJWVRPUUSRO-NSHDSACASA-N -1 0 302.400 -0.098 20 0 DBADRM COC(=O)N[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)C(C)C ZINC000363518212 375155455 /nfs/dbraw/zinc/15/54/55/375155455.db2.gz SHXHDLSYJHOFPM-IUCAKERBSA-N -1 0 312.330 -0.520 20 0 DBADRM CCOCCCNC(=O)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000091538518 375173565 /nfs/dbraw/zinc/17/35/65/375173565.db2.gz TYWJHRHTLXBRRL-UHFFFAOYSA-N -1 0 311.386 -0.147 20 0 DBADRM CC[C@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400101646 375120228 /nfs/dbraw/zinc/12/02/28/375120228.db2.gz BANVOWDORHHZSK-IUCAKERBSA-N -1 0 307.372 -0.427 20 0 DBADRM COC(=O)c1ccc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)nn1 ZINC000585730707 375243310 /nfs/dbraw/zinc/24/33/10/375243310.db2.gz QVJAQJOLDKSCQO-SSDOTTSWSA-N -1 0 316.339 -0.518 20 0 DBADRM COC(=O)c1ccc([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)nn1 ZINC000585730708 375243857 /nfs/dbraw/zinc/24/38/57/375243857.db2.gz QVJAQJOLDKSCQO-ZETCQYMHSA-N -1 0 316.339 -0.518 20 0 DBADRM COC(=O)c1cn(CCNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])nn1 ZINC000585728242 375243991 /nfs/dbraw/zinc/24/39/91/375243991.db2.gz LLTZYRLDUUWZOW-ZJUUUORDSA-N -1 0 322.321 -0.152 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H](C)CO1 ZINC000146882614 375247582 /nfs/dbraw/zinc/24/75/82/375247582.db2.gz NBUXRKJHNYZPTM-JGVFFNPUSA-N -1 0 304.306 -0.139 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc(Br)o1 ZINC000381401789 375208531 /nfs/dbraw/zinc/20/85/31/375208531.db2.gz QHCNLCCDGYNPHP-BYPYZUCNSA-N -1 0 314.113 -0.234 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2CSCN2)s1 ZINC000360203524 375278904 /nfs/dbraw/zinc/27/89/04/375278904.db2.gz GVXPXZZYWFWOAX-SCSAIBSYSA-N -1 0 309.398 -0.489 20 0 DBADRM C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4[n-]nnc4=N)c3)[C@@H]2C1 ZINC000635954214 375288708 /nfs/dbraw/zinc/28/87/08/375288708.db2.gz LQGRWSBYPWKMNC-WCQYABFASA-N -1 0 313.365 -0.149 20 0 DBADRM COCC1(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])CC1 ZINC000569728597 375307728 /nfs/dbraw/zinc/30/77/28/375307728.db2.gz ZNGMKXBEUQSXKT-SECBINFHSA-N -1 0 303.340 -0.496 20 0 DBADRM CC1(C)CN(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)CCO1 ZINC000572737731 375320466 /nfs/dbraw/zinc/32/04/66/375320466.db2.gz KQEFUGNRAGWCNP-NSHDSACASA-N -1 0 308.356 -0.825 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)c[nH]1 ZINC000586660520 375260567 /nfs/dbraw/zinc/26/05/67/375260567.db2.gz AOMBLCJDTYLPMD-UHFFFAOYSA-N -1 0 313.295 -0.576 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCC[C@@H](CC(=O)[O-])C2)nn1 ZINC000569932011 375324677 /nfs/dbraw/zinc/32/46/77/375324677.db2.gz TWYWDBCXKPFYQH-VIFPVBQESA-N -1 0 310.310 -0.222 20 0 DBADRM CN(Cc1cnccn1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000570088509 375334786 /nfs/dbraw/zinc/33/47/86/375334786.db2.gz IMUDVEOCLQCZNW-SNVBAGLBSA-N -1 0 300.340 -0.298 20 0 DBADRM COCCn1cc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)cn1 ZINC000570253700 375346561 /nfs/dbraw/zinc/34/65/61/375346561.db2.gz IGBIOBGCGSXWSZ-CABZTGNLSA-N -1 0 315.351 -0.375 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000570279933 375347571 /nfs/dbraw/zinc/34/75/71/375347571.db2.gz ROMBQJMSIJQOOO-QMMMGPOBSA-N -1 0 317.367 -0.180 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000570284336 375348180 /nfs/dbraw/zinc/34/81/80/375348180.db2.gz GUUWFFJFKDNLMR-ASCAZGACSA-N -1 0 313.397 -0.741 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CO1 ZINC000570330331 375353382 /nfs/dbraw/zinc/35/33/82/375353382.db2.gz YFGJPAVHUQIMNJ-VGMNWLOBSA-N -1 0 306.340 -0.943 20 0 DBADRM CCC[C@@H](NC(=O)[C@@H]1CCc2nnnn2CC1)c1nnn[n-]1 ZINC000572607874 375362463 /nfs/dbraw/zinc/36/24/63/375362463.db2.gz LGQYIPJSLKSEEC-RKDXNWHRSA-N -1 0 305.346 -0.204 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000570519288 375369324 /nfs/dbraw/zinc/36/93/24/375369324.db2.gz TWAOIIOFEZMNCS-RITPCOANSA-N -1 0 320.289 -0.212 20 0 DBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2ccnn2C)C1 ZINC000570925957 375400144 /nfs/dbraw/zinc/40/01/44/375400144.db2.gz MEHGXHNYCAQFKH-DTWKUNHWSA-N -1 0 303.340 -0.327 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCSCC(=O)[O-] ZINC000389421084 375419415 /nfs/dbraw/zinc/41/94/15/375419415.db2.gz ZBCOTCDJIQPLAV-VIFPVBQESA-N -1 0 324.424 -0.266 20 0 DBADRM Cc1ccncc1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000580081985 375427968 /nfs/dbraw/zinc/42/79/68/375427968.db2.gz LARWTPHIFUSQEK-UHFFFAOYSA-N -1 0 301.324 -0.741 20 0 DBADRM CC(C)Cc1nc(=NC(=O)[C@H]2CCS(=O)(=O)N2)s[n-]1 ZINC000618350220 375440053 /nfs/dbraw/zinc/44/00/53/375440053.db2.gz VQTMWLARXCZEGT-SSDOTTSWSA-N -1 0 304.397 -0.211 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000589227447 375452393 /nfs/dbraw/zinc/45/23/93/375452393.db2.gz CDHSQJLCLKCEOA-ZCFIWIBFSA-N -1 0 309.262 -0.981 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000262748303 375452998 /nfs/dbraw/zinc/45/29/98/375452998.db2.gz LQSZAXGZYCZSOZ-SNVBAGLBSA-N -1 0 300.336 -0.652 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)CC(C)(C)OC)C(=O)OC ZINC000589214798 375453246 /nfs/dbraw/zinc/45/32/46/375453246.db2.gz YQHFVXJVWSUVGD-QMMMGPOBSA-N -1 0 311.356 -0.565 20 0 DBADRM COc1n[nH]c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n1 ZINC000368480383 375496226 /nfs/dbraw/zinc/49/62/26/375496226.db2.gz AVWQYSMJRUCXTN-UHFFFAOYSA-N -1 0 323.334 -0.100 20 0 DBADRM CCC[C@H](NC(=O)Cn1nc2ccccn2c1=O)c1nnn[n-]1 ZINC000176784352 375501700 /nfs/dbraw/zinc/50/17/00/375501700.db2.gz INVKMXZCIWYFKS-VIFPVBQESA-N -1 0 316.325 -0.333 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)CC2(OC)CCC2)CCOC1 ZINC000601368783 375591362 /nfs/dbraw/zinc/59/13/62/375591362.db2.gz DBOYXLAYJWPTJZ-GFCCVEGCSA-N -1 0 307.368 -0.193 20 0 DBADRM COC(=O)CCN1CCN(S(=O)(=O)c2ncc[n-]2)[C@@H](C)C1 ZINC000601386650 375594457 /nfs/dbraw/zinc/59/44/57/375594457.db2.gz AFGMVEXWNFYAEH-JTQLQIEISA-N -1 0 316.383 -0.332 20 0 DBADRM CO[C@H]1CC[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000300590779 375594708 /nfs/dbraw/zinc/59/47/08/375594708.db2.gz OMOOVLVQZWDDLG-IUCAKERBSA-N -1 0 303.340 -0.187 20 0 DBADRM C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc21 ZINC000116855990 375546825 /nfs/dbraw/zinc/54/68/25/375546825.db2.gz UTIDPQZUNRVCIL-WKEGUHRASA-N -1 0 314.319 -0.534 20 0 DBADRM CCOC(=O)CN1CCCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000601319945 375561590 /nfs/dbraw/zinc/56/15/90/375561590.db2.gz ANOYRYSCJKGXJN-UHFFFAOYSA-N -1 0 316.383 -0.331 20 0 DBADRM C[C@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1C(=O)[O-] ZINC000318833490 375565584 /nfs/dbraw/zinc/56/55/84/375565584.db2.gz XZDOCYHLKVAKHQ-CABZTGNLSA-N -1 0 309.322 -0.741 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2ccc(F)cc2)CCO1 ZINC000643150771 375612994 /nfs/dbraw/zinc/61/29/94/375612994.db2.gz ZZVLFWFJLKHWDS-GFCCVEGCSA-N -1 0 324.308 -0.204 20 0 DBADRM COc1ccccc1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643150539 375613527 /nfs/dbraw/zinc/61/35/27/375613527.db2.gz CPCBKCWPBFKYFJ-LBPRGKRZSA-N -1 0 322.317 -0.377 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2ccccc2F)CCO1 ZINC000643151209 375614317 /nfs/dbraw/zinc/61/43/17/375614317.db2.gz GJIAYXMQOIRUHP-LLVKDONJSA-N -1 0 310.281 -0.246 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2ccccc2F)CCO1 ZINC000643151210 375614634 /nfs/dbraw/zinc/61/46/34/375614634.db2.gz GJIAYXMQOIRUHP-NSHDSACASA-N -1 0 310.281 -0.246 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCOc2ccccc2)CCO1 ZINC000643151309 375615561 /nfs/dbraw/zinc/61/55/61/375615561.db2.gz VUIKMKMCYDYSBJ-GFCCVEGCSA-N -1 0 322.317 -0.506 20 0 DBADRM Cc1cccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000643153690 375627098 /nfs/dbraw/zinc/62/70/98/375627098.db2.gz FPRAUXAMHXULDU-LBPRGKRZSA-N -1 0 306.318 -0.077 20 0 DBADRM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)C[C@H]1CCC1(F)F ZINC000601438034 375611066 /nfs/dbraw/zinc/61/10/66/375611066.db2.gz XZQIOTBTELAGKB-APPZFPTMSA-N -1 0 301.311 -0.125 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]OC[C@@H]2CCOC2)C1=O ZINC000364542189 375651026 /nfs/dbraw/zinc/65/10/26/375651026.db2.gz IZRJDMXZJDFDCU-YMTOWFKASA-N -1 0 311.338 -0.209 20 0 DBADRM CCCC[C@H](COC)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643164224 375651241 /nfs/dbraw/zinc/65/12/41/375651241.db2.gz BBUDQINUOKBKFZ-GHMZBOCLSA-N -1 0 316.354 -0.380 20 0 DBADRM CCCC[C@@H](COC)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643164227 375651420 /nfs/dbraw/zinc/65/14/20/375651420.db2.gz BBUDQINUOKBKFZ-WDEREUQCSA-N -1 0 316.354 -0.380 20 0 DBADRM COC[C@@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C(C)C ZINC000643164742 375651738 /nfs/dbraw/zinc/65/17/38/375651738.db2.gz ITHQCNKIAAJCDR-ZJUUUORDSA-N -1 0 302.327 -0.914 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2ccsc2)CCO1 ZINC000643154750 375632514 /nfs/dbraw/zinc/63/25/14/375632514.db2.gz MLAONKZQQRXTPN-SNVBAGLBSA-N -1 0 312.347 -0.281 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC2Cc3ccccc3C2)CCO1 ZINC000643155307 375632562 /nfs/dbraw/zinc/63/25/62/375632562.db2.gz PNHOYQUGFAPEKP-ZDUSSCGKSA-N -1 0 318.329 -0.418 20 0 DBADRM Cc1ccc(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)o1 ZINC000643154781 375632734 /nfs/dbraw/zinc/63/27/34/375632734.db2.gz TWWDMMIQURORJW-LLVKDONJSA-N -1 0 310.306 -0.441 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000020181878 375634078 /nfs/dbraw/zinc/63/40/78/375634078.db2.gz IGGQGVGEMPCIDB-UHFFFAOYSA-N -1 0 306.274 -0.216 20 0 DBADRM CCN1C[C@H](C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CC1=O ZINC000194305793 375638258 /nfs/dbraw/zinc/63/82/58/375638258.db2.gz DAZKRMFNDKCKTI-SECBINFHSA-N -1 0 316.321 -0.238 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCOCC2CCC2)CCO1 ZINC000643168746 375693808 /nfs/dbraw/zinc/69/38/08/375693808.db2.gz ANCWRECYSMVDMG-LLVKDONJSA-N -1 0 314.338 -0.769 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)NC2COCCOC2)CC1 ZINC000590757816 375675608 /nfs/dbraw/zinc/67/56/08/375675608.db2.gz DTGLNNGPPREJTR-UHFFFAOYSA-N -1 0 307.368 -0.193 20 0 DBADRM CSCCCN(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591569414 375719470 /nfs/dbraw/zinc/71/94/70/375719470.db2.gz DSBAEHXAGQZEOD-VIFPVBQESA-N -1 0 304.368 -0.490 20 0 DBADRM COCC1(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCC1 ZINC000643169861 375700875 /nfs/dbraw/zinc/70/08/75/375700875.db2.gz OAILKNLFCKQOEI-JTQLQIEISA-N -1 0 314.338 -0.769 20 0 DBADRM CSC[C@@H]1CCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591568466 375717764 /nfs/dbraw/zinc/71/77/64/375717764.db2.gz HJCASRUDCDWYRW-VHSXEESVSA-N -1 0 316.379 -0.348 20 0 DBADRM CSC[C@H]1CCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591568468 375718213 /nfs/dbraw/zinc/71/82/13/375718213.db2.gz HJCASRUDCDWYRW-ZJUUUORDSA-N -1 0 316.379 -0.348 20 0 DBADRM CCOC(=O)c1cc(S(=O)(=O)N(C)CC(=O)[O-])cn1C ZINC000032918040 182679843 /nfs/dbraw/zinc/67/98/43/182679843.db2.gz WUHHEQZBOJQDLF-UHFFFAOYSA-N -1 0 304.324 -0.093 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000592195811 375782414 /nfs/dbraw/zinc/78/24/14/375782414.db2.gz KWINWLUHUSJPMO-KOLCDFICSA-N -1 0 306.322 -0.622 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)C[C@H](OC)C1CC1)C(=O)OC ZINC000592012213 375766664 /nfs/dbraw/zinc/76/66/64/375766664.db2.gz LATHYFQOSYYGQQ-UWVGGRQHSA-N -1 0 323.367 -0.565 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)C[C@H](OC)C(C)C)CCOC1 ZINC000592036261 375771244 /nfs/dbraw/zinc/77/12/44/375771244.db2.gz PHKAQNDQFCFCJG-JQWIXIFHSA-N -1 0 309.384 -0.091 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CSCC(=O)[O-] ZINC000592362721 375799766 /nfs/dbraw/zinc/79/97/66/375799766.db2.gz HVQJLOYZOHVDCT-QMMMGPOBSA-N -1 0 310.397 -0.656 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)CSCC(=O)[O-])CCN2C1=O ZINC000592363140 375800409 /nfs/dbraw/zinc/80/04/09/375800409.db2.gz CKATXHGHVBYSII-QMMMGPOBSA-N -1 0 315.351 -0.701 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000592457504 375804195 /nfs/dbraw/zinc/80/41/95/375804195.db2.gz CWDSDQGGKBRLCF-NXEZZACHSA-N -1 0 322.383 -0.231 20 0 DBADRM CSC[C@@H](C)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000592439967 375804260 /nfs/dbraw/zinc/80/42/60/375804260.db2.gz COMMWGORNYZFIA-SECBINFHSA-N -1 0 318.395 -0.148 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000592440004 375804338 /nfs/dbraw/zinc/80/43/38/375804338.db2.gz DTAMATLHECNMAP-SQSQXLIZSA-N -1 0 318.395 -0.561 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H](C2CC2)C2CCC2)CCO1 ZINC000643173313 375822297 /nfs/dbraw/zinc/82/22/97/375822297.db2.gz CCKACHHKTOUSPM-VXGBXAGGSA-N -1 0 310.350 -0.007 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-] ZINC000593255537 375853331 /nfs/dbraw/zinc/85/33/31/375853331.db2.gz QMRUUTPSKYOWKN-QMMMGPOBSA-N -1 0 318.307 -0.615 20 0 DBADRM COC(=O)c1ncccc1S(=O)(=O)NC[C@@H](C)C(=O)[O-] ZINC000593945646 375901095 /nfs/dbraw/zinc/90/10/95/375901095.db2.gz VORHZFULNRNONS-SSDOTTSWSA-N -1 0 302.308 -0.133 20 0 DBADRM Cn1[n-]nnc1=NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000593994278 375902513 /nfs/dbraw/zinc/90/25/13/375902513.db2.gz MNYIDZRNDDPSOB-UHFFFAOYSA-N -1 0 302.338 -0.284 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000594535330 375936490 /nfs/dbraw/zinc/93/64/90/375936490.db2.gz AJZKCOMEYHRCCW-SNVBAGLBSA-N -1 0 316.354 -0.083 20 0 DBADRM COC1CCN(S(=O)(=O)NCCSCC(=O)[O-])CC1 ZINC000594671741 375940327 /nfs/dbraw/zinc/94/03/27/375940327.db2.gz YXIIHUZYSKEJNQ-UHFFFAOYSA-N -1 0 312.413 -0.251 20 0 DBADRM CSCCN(CC(=O)[O-])S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000594681980 375942338 /nfs/dbraw/zinc/94/23/38/375942338.db2.gz QZNCRHOVPZPDPX-MRVPVSSYSA-N -1 0 312.413 -0.458 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccccc1[O-])C(=O)OC ZINC000594743890 375944923 /nfs/dbraw/zinc/94/49/23/375944923.db2.gz ZHILSZFAOWZUQZ-MRVPVSSYSA-N -1 0 317.319 -0.225 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595260772 375982444 /nfs/dbraw/zinc/98/24/44/375982444.db2.gz KUGAMNDNYOCYND-GODTVURZSA-N -1 0 304.368 -0.504 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595260778 375982726 /nfs/dbraw/zinc/98/27/26/375982726.db2.gz KUGAMNDNYOCYND-OKYAEXMESA-N -1 0 304.368 -0.504 20 0 DBADRM COC(=O)COc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000595237729 375985870 /nfs/dbraw/zinc/98/58/70/375985870.db2.gz INIUKBDQFHIVIX-MRVPVSSYSA-N -1 0 324.289 -0.234 20 0 DBADRM COC(=O)[C@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000595275756 375989027 /nfs/dbraw/zinc/98/90/27/375989027.db2.gz HQUJSOQZAFGBGR-XHNCKOQMSA-N -1 0 300.311 -0.767 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000595275211 375989550 /nfs/dbraw/zinc/98/95/50/375989550.db2.gz JLFBAGZTAKSXOJ-UHFFFAOYSA-N -1 0 300.311 -0.573 20 0 DBADRM CCOC(=O)Cn1[n-]c(C)c(C(=O)Nc2nncs2)c1=O ZINC000596011508 376058619 /nfs/dbraw/zinc/05/86/19/376058619.db2.gz ZJQHSZADYHAEHH-QMMMGPOBSA-N -1 0 311.323 -0.126 20 0 DBADRM COC(=O)c1cn(CCNC(=O)[C@H](C(=O)[O-])C(C)(C)C)nn1 ZINC000595999281 376065916 /nfs/dbraw/zinc/06/59/16/376065916.db2.gz LRCGMJWAKHIZKU-SECBINFHSA-N -1 0 312.326 -0.072 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C)c(C(=O)OC)o1)C(=O)[O-] ZINC000596035939 376066189 /nfs/dbraw/zinc/06/61/89/376066189.db2.gz TWVZDTZOVJNEBX-SSDOTTSWSA-N -1 0 321.307 -0.247 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccnc(OCCO)c2)c1[O-] ZINC000596028159 376066222 /nfs/dbraw/zinc/06/62/22/376066222.db2.gz IYHLBTHVDVNGHY-SNVBAGLBSA-N -1 0 309.278 -0.559 20 0 DBADRM COC(=O)c1oc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc1C ZINC000596033259 376066262 /nfs/dbraw/zinc/06/62/62/376066262.db2.gz RYEOJULPFPKGIQ-ZETCQYMHSA-N -1 0 321.307 -0.511 20 0 DBADRM COC(=O)[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597385404 376131759 /nfs/dbraw/zinc/13/17/59/376131759.db2.gz QECHNDHFXIQNTH-ZCFIWIBFSA-N -1 0 302.308 -0.669 20 0 DBADRM CO[C@@](C)(C(=O)NCCc1nc(=O)o[n-]1)C(=O)OC(C)(C)C ZINC000597577648 376150317 /nfs/dbraw/zinc/15/03/17/376150317.db2.gz QZNMSOCSWWFWLN-ZDUSSCGKSA-N -1 0 315.326 -0.232 20 0 DBADRM CCOC(=O)C[C@H](CO)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000597674824 376161902 /nfs/dbraw/zinc/16/19/02/376161902.db2.gz VVMCLEBYYKFABO-SSDOTTSWSA-N -1 0 309.278 -0.028 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000597807259 376180578 /nfs/dbraw/zinc/18/05/78/376180578.db2.gz HJUHGGAAWSPNDN-JGVFFNPUSA-N -1 0 321.289 -0.076 20 0 DBADRM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1nnn[n-]1)C2=O ZINC000599344364 376279858 /nfs/dbraw/zinc/27/98/58/376279858.db2.gz AGOMJCXMDJHQET-SDBXPKJASA-N -1 0 321.341 -0.683 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)CC1 ZINC000054505340 376228247 /nfs/dbraw/zinc/22/82/47/376228247.db2.gz YHUXFMFPOCPCSJ-SNVBAGLBSA-N -1 0 320.367 -0.431 20 0 DBADRM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1nnn[n-]1)C2=O ZINC000599344362 376279980 /nfs/dbraw/zinc/27/99/80/376279980.db2.gz AGOMJCXMDJHQET-ISVAXAHUSA-N -1 0 321.341 -0.683 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C1CC1 ZINC000054505408 376228660 /nfs/dbraw/zinc/22/86/60/376228660.db2.gz XRANZKLWPZWECT-SNVBAGLBSA-N -1 0 311.319 -0.002 20 0 DBADRM COCC(COC)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599320705 376281374 /nfs/dbraw/zinc/28/13/74/376281374.db2.gz DTXSCDAIVIOWFF-UHFFFAOYSA-N -1 0 308.312 -0.599 20 0 DBADRM CCO[C@H](CS(=O)(=O)NCC(=O)NCC(=O)OC)C1CC1 ZINC000599217290 376260793 /nfs/dbraw/zinc/26/07/93/376260793.db2.gz ADRHLYNPWHFERQ-SNVBAGLBSA-N -1 0 322.383 -0.990 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@]2(O)CCSC2)on1 ZINC000599248430 376264644 /nfs/dbraw/zinc/26/46/44/376264644.db2.gz KSNBAHSUDURCLE-SNVBAGLBSA-N -1 0 322.364 -0.393 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)CC2CC2)on1 ZINC000599266361 376266708 /nfs/dbraw/zinc/26/67/08/376266708.db2.gz XXQNQPFNAKKIIQ-MRVPVSSYSA-N -1 0 304.324 -0.100 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2nc[nH]n2)on1 ZINC000599270329 376268864 /nfs/dbraw/zinc/26/88/64/376268864.db2.gz GVRJACZITHOGSO-RXMQYKEDSA-N -1 0 301.284 -0.381 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC(F)(F)CO)on1 ZINC000599279849 376269770 /nfs/dbraw/zinc/26/97/70/376269770.db2.gz XTCGJHWPPXNIDO-UHFFFAOYSA-N -1 0 300.239 -0.633 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC2(CO)CCC2)on1 ZINC000599275765 376270230 /nfs/dbraw/zinc/27/02/30/376270230.db2.gz WMGGCUOJJJVGOY-UHFFFAOYSA-N -1 0 304.324 -0.098 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)CCc1c(F)cccc1F ZINC000599281691 376270844 /nfs/dbraw/zinc/27/08/44/376270844.db2.gz HNESNHVPRPEROR-LLVKDONJSA-N -1 0 323.317 -0.039 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]Cc2nc(C)no2)on1 ZINC000599290129 376277002 /nfs/dbraw/zinc/27/70/02/376277002.db2.gz QIKMQJPSGLYBLG-UHFFFAOYSA-N -1 0 302.268 -0.369 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)on1 ZINC000599338588 376277195 /nfs/dbraw/zinc/27/71/95/376277195.db2.gz DYTIXMWOFMGQLF-LLVKDONJSA-N -1 0 320.323 -0.719 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@]2(O)CCO[C@@H]2C)on1 ZINC000599292700 376277585 /nfs/dbraw/zinc/27/75/85/376277585.db2.gz LDHNGWWHYBIECS-HQJQHLMTSA-N -1 0 320.323 -0.721 20 0 DBADRM CCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599290356 376277911 /nfs/dbraw/zinc/27/79/11/376277911.db2.gz UBRPXRQUHMKVFY-SSDOTTSWSA-N -1 0 319.339 -0.394 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](CN2CCOC[C@H]2C(=O)[O-])C1 ZINC000250932447 376297077 /nfs/dbraw/zinc/29/70/77/376297077.db2.gz DMALMJWKMHKOJB-QWRGUYRKSA-N -1 0 306.384 -0.557 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000062084561 376406111 /nfs/dbraw/zinc/40/61/11/376406111.db2.gz CLXDRSCXYNBUNS-UHFFFAOYSA-N -1 0 319.383 -0.520 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000221745975 376363632 /nfs/dbraw/zinc/36/36/32/376363632.db2.gz FCLACSHFXMRZLG-ZJUUUORDSA-N -1 0 317.367 -0.100 20 0 DBADRM CSC1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000601583439 376376161 /nfs/dbraw/zinc/37/61/61/376376161.db2.gz BBWIFVUVSUBGLY-SNVBAGLBSA-N -1 0 316.379 -0.348 20 0 DBADRM COCCS(=O)(=O)c1ccc(CNC(=O)C(=O)[O-])cc1 ZINC000354956726 376496645 /nfs/dbraw/zinc/49/66/45/376496645.db2.gz AAQICHRCTDHWBT-UHFFFAOYSA-N -1 0 301.320 -0.193 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](C)CCC(=O)[O-])CC1 ZINC000070312110 376564094 /nfs/dbraw/zinc/56/40/94/376564094.db2.gz HOFVRLAQPGVHRW-VIFPVBQESA-N -1 0 322.383 -0.041 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@H]1C(C)(C)C1(F)F ZINC000603299726 376542725 /nfs/dbraw/zinc/54/27/25/376542725.db2.gz KNZFOFNEZWXICQ-RQJHMYQMSA-N -1 0 301.311 -0.269 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)C(=O)OC ZINC000603591634 376565962 /nfs/dbraw/zinc/56/59/62/376565962.db2.gz MPQYXLPLEDLWAP-SECBINFHSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)C[C@]1(C)CC1(F)F ZINC000603355793 376545936 /nfs/dbraw/zinc/54/59/36/376545936.db2.gz AYFUYLSMEYLDTE-IUCAKERBSA-N -1 0 301.311 -0.125 20 0 DBADRM C[C@H](C(=O)N[C@H](c1nnn[n-]1)c1ccccc1)S(C)(=O)=O ZINC000604082171 376598367 /nfs/dbraw/zinc/59/83/67/376598367.db2.gz UCJWLUOUHBWQRI-SCZZXKLOSA-N -1 0 309.351 -0.162 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CC(C(=O)[O-])C2)C1 ZINC000071173293 376605445 /nfs/dbraw/zinc/60/54/45/376605445.db2.gz OJZKFOBIMXRIQZ-VIFPVBQESA-N -1 0 320.367 -0.477 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000603626011 376568297 /nfs/dbraw/zinc/56/82/97/376568297.db2.gz HYNGHWZDWJKRJQ-SNVBAGLBSA-N -1 0 321.289 -0.717 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1cncc(F)c1)C(=O)[O-] ZINC000071337458 376611208 /nfs/dbraw/zinc/61/12/08/376611208.db2.gz XACSTFUXXCWMIT-QMMMGPOBSA-N -1 0 306.271 -0.485 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1C(N)=O ZINC000055311296 376617172 /nfs/dbraw/zinc/61/71/72/376617172.db2.gz RSWFRUVDHSDDGG-SSDOTTSWSA-N -1 0 302.308 -0.075 20 0 DBADRM CCOc1cc(NC(=O)C(=O)NCc2nnn[n-]2)ccc1OC ZINC000606117274 376727615 /nfs/dbraw/zinc/72/76/15/376727615.db2.gz SKDUVDDFLYDGGU-UHFFFAOYSA-N -1 0 320.309 -0.138 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000606117767 376728128 /nfs/dbraw/zinc/72/81/28/376728128.db2.gz VIUQQWYHIGBMKQ-UHFFFAOYSA-N -1 0 308.248 -0.317 20 0 DBADRM C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000365323306 376702383 /nfs/dbraw/zinc/70/23/83/376702383.db2.gz CHBHEFQRXSUKDV-GXSJLCMTSA-N -1 0 304.310 -0.038 20 0 DBADRM C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000365323308 376703987 /nfs/dbraw/zinc/70/39/87/376703987.db2.gz CHBHEFQRXSUKDV-MWLCHTKSSA-N -1 0 304.310 -0.038 20 0 DBADRM Cc1noc(CNS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000038034396 376735933 /nfs/dbraw/zinc/73/59/33/376735933.db2.gz WOOSDJVWUDXUFF-MRVPVSSYSA-N -1 0 304.328 -0.491 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])C2CC2)o1 ZINC000262155287 376779444 /nfs/dbraw/zinc/77/94/44/376779444.db2.gz MHIUATPBKXPGFC-UHFFFAOYSA-N -1 0 302.308 -0.123 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000262151960 376781313 /nfs/dbraw/zinc/78/13/13/376781313.db2.gz LTIFWXISJWJZOW-ZJUUUORDSA-N -1 0 322.383 -0.642 20 0 DBADRM COC[C@@](C)(O)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000531496674 376782952 /nfs/dbraw/zinc/78/29/52/376782952.db2.gz GOYWSWGWZSDVDV-MRVPVSSYSA-N -1 0 310.357 -0.755 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000262212225 376786264 /nfs/dbraw/zinc/78/62/64/376786264.db2.gz UHODVXIYEPXYLY-IUCAKERBSA-N -1 0 307.368 -0.100 20 0 DBADRM COc1ccc(C(=O)NCC(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000262289309 376796820 /nfs/dbraw/zinc/79/68/20/376796820.db2.gz ONTUKUXLHGUFRN-UHFFFAOYSA-N -1 0 316.335 -0.240 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)CSCC(=O)N2CCOCC2)C1 ZINC000062117879 376803459 /nfs/dbraw/zinc/80/34/59/376803459.db2.gz CRSPNSZMMLCSCR-SNVBAGLBSA-N -1 0 316.379 -0.489 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000362694903 304199749 /nfs/dbraw/zinc/19/97/49/304199749.db2.gz RGFGIWIGDGRIFL-LLVKDONJSA-N -1 0 318.289 -0.897 20 0 DBADRM CCN(CCOCCO)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000337602641 376854214 /nfs/dbraw/zinc/85/42/14/376854214.db2.gz SXOARDVNCWTTJI-UHFFFAOYSA-N -1 0 322.321 -0.093 20 0 DBADRM NC(=O)Cn1cc(C(=O)N(CC(=O)[O-])c2ccccc2)nn1 ZINC000337737852 376878140 /nfs/dbraw/zinc/87/81/40/376878140.db2.gz JPPSBTWRIFVXDD-UHFFFAOYSA-N -1 0 303.278 -0.505 20 0 DBADRM C[C@H](NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)C(=O)[O-] ZINC000262401417 376880883 /nfs/dbraw/zinc/88/08/83/376880883.db2.gz ASHWUOZDMRRJIS-QMMMGPOBSA-N -1 0 305.290 -0.331 20 0 DBADRM NC(=O)Cn1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)n1 ZINC000337764700 376886019 /nfs/dbraw/zinc/88/60/19/376886019.db2.gz RPQWMSIIGVODBI-UHFFFAOYSA-N -1 0 324.318 -0.102 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2nnc3ccccn32)cc1C(N)=O ZINC000112495845 376912881 /nfs/dbraw/zinc/91/28/81/376912881.db2.gz PVGGUALSZVBLCC-UHFFFAOYSA-N -1 0 320.334 -0.033 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)Cn1[n-]c(SC)nc1=O ZINC000355944104 376913974 /nfs/dbraw/zinc/91/39/74/376913974.db2.gz RBATVCIFPMMIFW-UHFFFAOYSA-N -1 0 315.399 -0.334 20 0 DBADRM CCC[C@](C)(NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-] ZINC000262423858 376915871 /nfs/dbraw/zinc/91/58/71/376915871.db2.gz QQPYHVXXHAEFSM-AWEZNQCLSA-N -1 0 315.370 -0.222 20 0 DBADRM C[C@@H](NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)[O-] ZINC000262465437 376938030 /nfs/dbraw/zinc/93/80/30/376938030.db2.gz XQSOOWLSOOBVJO-NXSYQRQQSA-N -1 0 305.290 -0.056 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)NC[C@@]1(O)CCOC1 ZINC000339046216 377015874 /nfs/dbraw/zinc/01/58/74/377015874.db2.gz IADVZKTVRRGHFZ-JTQLQIEISA-N -1 0 322.364 -0.641 20 0 DBADRM C[C@H](NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)[O-] ZINC000262559122 377027146 /nfs/dbraw/zinc/02/71/46/377027146.db2.gz XQSOOWLSOOBVJO-WJWGPLDTSA-N -1 0 305.290 -0.056 20 0 DBADRM CN(CCC(=O)[O-])C(=O)CNS(=O)(=O)c1cccs1 ZINC000262558591 377027426 /nfs/dbraw/zinc/02/74/26/377027426.db2.gz XKPYLCTVFVCHFH-UHFFFAOYSA-N -1 0 306.365 -0.041 20 0 DBADRM C[C@H](NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)[O-] ZINC000262559121 377028391 /nfs/dbraw/zinc/02/83/91/377028391.db2.gz XQSOOWLSOOBVJO-JKYUHCHBSA-N -1 0 305.290 -0.056 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000568003165 377031684 /nfs/dbraw/zinc/03/16/84/377031684.db2.gz YDRWGBSFBQDIQY-NAKRPEOUSA-N -1 0 307.368 -0.037 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000262518972 377003453 /nfs/dbraw/zinc/00/34/53/377003453.db2.gz NXMDJHXIOWYQSG-LBPRGKRZSA-N -1 0 305.290 -0.178 20 0 DBADRM CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1OC)C(=O)[O-] ZINC000262991380 377108328 /nfs/dbraw/zinc/10/83/28/377108328.db2.gz OMSAHHCYRHRWOH-VIFPVBQESA-N -1 0 316.335 -0.064 20 0 DBADRM COCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000263129781 377111022 /nfs/dbraw/zinc/11/10/22/377111022.db2.gz GJPKNZZISDOTMP-UHFFFAOYSA-N -1 0 316.335 -0.574 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000263062571 377111292 /nfs/dbraw/zinc/11/12/92/377111292.db2.gz HYACVVQYXYDNIC-GFCCVEGCSA-N -1 0 306.318 -0.043 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000262612567 377066308 /nfs/dbraw/zinc/06/63/08/377066308.db2.gz LLJWPQYLGAOKIH-GRYCIOLGSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C(NC[C@@]1(O)CCOC1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000534428962 377096355 /nfs/dbraw/zinc/09/63/55/377096355.db2.gz OOJBFBAZMVNKSD-AWEZNQCLSA-N -1 0 305.290 -0.089 20 0 DBADRM CC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@]2(CCOC2)O1 ZINC000366517381 377125030 /nfs/dbraw/zinc/12/50/30/377125030.db2.gz FMRKKERHAREHEF-YGRLFVJLSA-N -1 0 311.338 -0.665 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CCn2nc3ccccn3c2=O)CCO1 ZINC000262905070 377103273 /nfs/dbraw/zinc/10/32/73/377103273.db2.gz BXPAEYUZKGYQOV-SNVBAGLBSA-N -1 0 320.305 -0.802 20 0 DBADRM COC[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)C(=O)[O-] ZINC000318960695 377151187 /nfs/dbraw/zinc/15/11/87/377151187.db2.gz UNPHZHQDHBFCJA-SECBINFHSA-N -1 0 307.262 -0.209 20 0 DBADRM C[C@H](O)[C@H](NS(=O)(=O)c1cccc2c1OCC2)C(=O)[O-] ZINC000571193019 377156179 /nfs/dbraw/zinc/15/61/79/377156179.db2.gz BGQRFGFJWWNKTQ-XVKPBYJWSA-N -1 0 301.320 -0.266 20 0 DBADRM COC(=O)[C@H](O)CNC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339939973 377157840 /nfs/dbraw/zinc/15/78/40/377157840.db2.gz ZDKBWBZHSQWFDR-SNVBAGLBSA-N -1 0 323.280 -0.019 20 0 DBADRM Cc1nc(S(=O)(=O)NCCC(=O)NCC[C@@H](C)O)cn1C ZINC000339939148 377158607 /nfs/dbraw/zinc/15/86/07/377158607.db2.gz LPQCYICHZZIXKI-SECBINFHSA-N -1 0 318.399 -0.716 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1ccc(=O)n(C)n1)C(=O)[O-] ZINC000263259048 377189200 /nfs/dbraw/zinc/18/92/00/377189200.db2.gz JDFSKDDVFOXFGY-JTQLQIEISA-N -1 0 324.337 -0.874 20 0 DBADRM COC[C@](C)(NC(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)[O-] ZINC000262219771 377267179 /nfs/dbraw/zinc/26/71/79/377267179.db2.gz TUQNPYJCMUHNQZ-AWEZNQCLSA-N -1 0 307.306 -0.065 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NCCCC(=O)[O-])O1 ZINC000571400296 377217954 /nfs/dbraw/zinc/21/79/54/377217954.db2.gz LQURELFSWFSPAW-NXEZZACHSA-N -1 0 301.343 -0.214 20 0 DBADRM COc1ccc(-c2nnc(S(=O)(=O)C[C@@H](O)CO)[n-]2)cc1 ZINC000571389239 377217985 /nfs/dbraw/zinc/21/79/85/377217985.db2.gz CIEGOFKCVDJROK-VIFPVBQESA-N -1 0 313.335 -0.393 20 0 DBADRM CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2cn(C)cn2)cn1 ZINC000340040944 377220858 /nfs/dbraw/zinc/22/08/58/377220858.db2.gz RFHPFUDFQWJCNA-UHFFFAOYSA-N -1 0 312.355 -0.494 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000262154441 377268059 /nfs/dbraw/zinc/26/80/59/377268059.db2.gz OAOUCJIAINAGKY-UHFFFAOYSA-N -1 0 321.333 -0.704 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000571522539 377251547 /nfs/dbraw/zinc/25/15/47/377251547.db2.gz CEMBYKLOPUOQKC-ZJUUUORDSA-N -1 0 324.333 -0.087 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000261722089 377259922 /nfs/dbraw/zinc/25/99/22/377259922.db2.gz RDFCGEGVHHRLIY-QMMMGPOBSA-N -1 0 311.323 -0.244 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000261747384 377261374 /nfs/dbraw/zinc/26/13/74/377261374.db2.gz HAJGPLPIHOORQM-MRVPVSSYSA-N -1 0 318.376 -0.041 20 0 DBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000261748596 377261706 /nfs/dbraw/zinc/26/17/06/377261706.db2.gz WAPLVTDTTDMWML-UHFFFAOYSA-N -1 0 322.364 -0.700 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000261771743 377263298 /nfs/dbraw/zinc/26/32/98/377263298.db2.gz ZDGLANIJCVOLFI-NSHDSACASA-N -1 0 323.334 -0.100 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)[C@H](C)C(=O)[O-])C1 ZINC000263335650 377264747 /nfs/dbraw/zinc/26/47/47/377264747.db2.gz WEIBNYLAMZAWNP-ZJUUUORDSA-N -1 0 306.384 -0.020 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)[C@@H](C)C(=O)[O-])C1 ZINC000263335649 377266112 /nfs/dbraw/zinc/26/61/12/377266112.db2.gz WEIBNYLAMZAWNP-VHSXEESVSA-N -1 0 306.384 -0.020 20 0 DBADRM COCCn1cc(S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-])cn1 ZINC000262466287 377276181 /nfs/dbraw/zinc/27/61/81/377276181.db2.gz TUMZEPIJIZQODS-SECBINFHSA-N -1 0 305.356 -0.129 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CN1Cc2ccccc2C1=O ZINC000262439134 377277175 /nfs/dbraw/zinc/27/71/75/377277175.db2.gz FYHVKISGAAWAEY-GFCCVEGCSA-N -1 0 304.302 -0.046 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000262977218 377281048 /nfs/dbraw/zinc/28/10/48/377281048.db2.gz MLALVRBTGXLFSC-QMMMGPOBSA-N -1 0 313.335 -0.537 20 0 DBADRM O=C(CNC(=O)COc1ccccc1)N[C@@]1(C(=O)[O-])CCOC1 ZINC000262990936 377281298 /nfs/dbraw/zinc/28/12/98/377281298.db2.gz SPFXCLQVDRNXTK-HNNXBMFYSA-N -1 0 322.317 -0.459 20 0 DBADRM CO[C@H](CNC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)[O-] ZINC000263059869 377281416 /nfs/dbraw/zinc/28/14/16/377281416.db2.gz HKHSLUDVDKQBSA-LLVKDONJSA-N -1 0 307.306 -0.444 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)o1 ZINC000262924055 377281644 /nfs/dbraw/zinc/28/16/44/377281644.db2.gz HETMMLOBXRWQQD-HTQZYQBOSA-N -1 0 316.335 -0.020 20 0 DBADRM COc1ccc(C(=O)NCC(=O)N(C)CC(=O)[O-])cc1OC ZINC000263272129 377283029 /nfs/dbraw/zinc/28/30/29/377283029.db2.gz PLYLIIWNRNPVOX-UHFFFAOYSA-N -1 0 310.306 -0.023 20 0 DBADRM CC(C)C[C@@H](CNC(=O)N1CCO[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000263109472 377283993 /nfs/dbraw/zinc/28/39/93/377283993.db2.gz YIUZPZKAWCKEOW-VHSXEESVSA-N -1 0 301.343 -0.371 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000263450816 377285611 /nfs/dbraw/zinc/28/56/11/377285611.db2.gz SFQBGJBZCQIDJE-NSHDSACASA-N -1 0 300.336 -0.132 20 0 DBADRM Cn1c2ccccc2n(CC(=O)NCCOCC(=O)[O-])c1=O ZINC000263458591 377287452 /nfs/dbraw/zinc/28/74/52/377287452.db2.gz PNGADXUOKWIOTC-UHFFFAOYSA-N -1 0 307.306 -0.443 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cncc(Cl)c1 ZINC000275399110 304202858 /nfs/dbraw/zinc/20/28/58/304202858.db2.gz YTWDLEGMMNUDEK-VXNVDRBHSA-N -1 0 306.727 -0.057 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@H](C(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000268975767 377377660 /nfs/dbraw/zinc/37/76/60/377377660.db2.gz JKXJGISQNCRNQW-QRGHLMKCSA-N -1 0 307.306 -0.923 20 0 DBADRM CCC[C@@H](NC(=O)CNC(=O)c1cccnc1)c1nnn[n-]1 ZINC000268924533 377378219 /nfs/dbraw/zinc/37/82/19/377378219.db2.gz XPEPTLKLMRYMCQ-SNVBAGLBSA-N -1 0 303.326 -0.018 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000268904997 377378898 /nfs/dbraw/zinc/37/88/98/377378898.db2.gz XZSUWGAGPZOLCK-AATRIKPKSA-N -1 0 309.322 -0.580 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000269479493 377400158 /nfs/dbraw/zinc/40/01/58/377400158.db2.gz LBZWIABRJZRDBS-VQCYPWCPSA-N -1 0 323.349 -0.191 20 0 DBADRM O=S(=O)(c1nc2ccccc2[n-]1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000271093167 377482385 /nfs/dbraw/zinc/48/23/85/377482385.db2.gz UXGNXCUDKRFEIY-NXEZZACHSA-N -1 0 316.360 -0.506 20 0 DBADRM C[C@@H](O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000271067415 377482715 /nfs/dbraw/zinc/48/27/15/377482715.db2.gz KKEPCURIHKZVHX-RXMQYKEDSA-N -1 0 300.296 -0.905 20 0 DBADRM CCCS(=O)(=O)Nc1ccc(C(=O)NOCC(N)=O)cc1 ZINC000271326450 377492946 /nfs/dbraw/zinc/49/29/46/377492946.db2.gz ADXJUOPJONXMFT-UHFFFAOYSA-N -1 0 315.351 -0.015 20 0 DBADRM NC(=O)CO[N-]C(=O)CNC(=O)N1CCc2ccccc2C1 ZINC000271395858 377493697 /nfs/dbraw/zinc/49/36/97/377493697.db2.gz LZYJLXZKHNOQPM-UHFFFAOYSA-N -1 0 306.322 -0.713 20 0 DBADRM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000110662495 296262552 /nfs/dbraw/zinc/26/25/52/296262552.db2.gz BDOWPFUCIAROMV-ZCFIWIBFSA-N -1 0 304.349 -0.045 20 0 DBADRM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000113251233 296263149 /nfs/dbraw/zinc/26/31/49/296263149.db2.gz QFEYTTBCKFSPTG-ZCFIWIBFSA-N -1 0 304.349 -0.045 20 0 DBADRM Cc1nc(C)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])s1 ZINC000275035140 377531835 /nfs/dbraw/zinc/53/18/35/377531835.db2.gz GDDWCFTVRCVYIF-LURJTMIESA-N -1 0 307.353 -0.633 20 0 DBADRM NC(=O)C1=NO[C@H](CNS(=O)(=O)c2cccc(F)c2F)C1 ZINC000275859264 377532738 /nfs/dbraw/zinc/53/27/38/377532738.db2.gz IHSYVFPKSIOBLZ-LURJTMIESA-N -1 0 319.289 -0.127 20 0 DBADRM CC(C)COc1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cn1 ZINC000276156743 377552090 /nfs/dbraw/zinc/55/20/90/377552090.db2.gz PORCWVPZJBFBMJ-UHFFFAOYSA-N -1 0 310.310 -0.412 20 0 DBADRM CCc1ccccc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000276766522 377570776 /nfs/dbraw/zinc/57/07/76/377570776.db2.gz AZCZPNWVAZLWJZ-VIFPVBQESA-N -1 0 300.336 -0.144 20 0 DBADRM O=C(CN1CSCC1=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000276670032 377566931 /nfs/dbraw/zinc/56/69/31/377566931.db2.gz UUAPMJMFWNMKQM-UHFFFAOYSA-N -1 0 320.334 -0.573 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCN1C(=O)CCC1=O ZINC000277209541 377590505 /nfs/dbraw/zinc/59/05/05/377590505.db2.gz XTFBJCMQDCQPMS-UHFFFAOYSA-N -1 0 323.271 -0.291 20 0 DBADRM COc1ccsc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000277287537 377589196 /nfs/dbraw/zinc/58/91/96/377589196.db2.gz AAHVZKBWXJUVNI-UHFFFAOYSA-N -1 0 306.365 -0.048 20 0 DBADRM COc1ccc(O)c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000277296709 377593072 /nfs/dbraw/zinc/59/30/72/377593072.db2.gz AOLOIZBOVFSXQY-UHFFFAOYSA-N -1 0 316.335 -0.404 20 0 DBADRM COc1cccc(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000277439413 377595472 /nfs/dbraw/zinc/59/54/72/377595472.db2.gz JEVUOPWDIRTZFM-UHFFFAOYSA-N -1 0 314.363 -0.180 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C/c1cncc(F)c1 ZINC000277432813 377596111 /nfs/dbraw/zinc/59/61/11/377596111.db2.gz IUSBUQCCBOSATO-NSCUHMNNSA-N -1 0 315.326 -0.184 20 0 DBADRM CCNC(=O)C1(CNC(=O)c2cnc([O-])n(C)c2=O)CCC1 ZINC000277960422 377611588 /nfs/dbraw/zinc/61/15/88/377611588.db2.gz UIQCYZDGBPKQBF-UHFFFAOYSA-N -1 0 308.338 -0.478 20 0 DBADRM Cc1ncc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])s1 ZINC000278340708 377619285 /nfs/dbraw/zinc/61/92/85/377619285.db2.gz VZDFMWRNFPMAOR-UHFFFAOYSA-N -1 0 307.353 -0.679 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cc(F)cc(F)c1 ZINC000278278653 377619729 /nfs/dbraw/zinc/61/97/29/377619729.db2.gz PPESFRXDIKPRGZ-UHFFFAOYSA-N -1 0 322.289 -0.166 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NN1CC(=O)NC1=O ZINC000279072048 377641402 /nfs/dbraw/zinc/64/14/02/377641402.db2.gz TXQOWQIXPWVWCZ-LURJTMIESA-N -1 0 310.232 -0.728 20 0 DBADRM C[C@@H](CN1CCOCC1)N(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000279346760 377650833 /nfs/dbraw/zinc/65/08/33/377650833.db2.gz QNUNGPXUWMRHCN-VIFPVBQESA-N -1 0 315.399 -0.631 20 0 DBADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000279308714 377651251 /nfs/dbraw/zinc/65/12/51/377651251.db2.gz RDFAMMQGRQDCGN-WPRPVWTQSA-N -1 0 301.324 -0.308 20 0 DBADRM COC[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)[C@@H]1CCCO1 ZINC000279534078 377656409 /nfs/dbraw/zinc/65/64/09/377656409.db2.gz RQKBMSDRIPKVTL-SFYZADRCSA-N -1 0 302.356 -0.500 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NN1CC(=O)N(C)C1=O ZINC000279678751 377663117 /nfs/dbraw/zinc/66/31/17/377663117.db2.gz HIWVEFIQOAOZQP-ZETCQYMHSA-N -1 0 324.259 -0.385 20 0 DBADRM C[C@H](NC(=O)c1cccs1)C(=O)NCCc1nc(=O)o[n-]1 ZINC000280060458 377676891 /nfs/dbraw/zinc/67/68/91/377676891.db2.gz ILHAXMBONFRBMF-ZETCQYMHSA-N -1 0 310.335 -0.098 20 0 DBADRM O=C(CCNC(=O)Cc1ccccc1)NCCc1nc(=O)o[n-]1 ZINC000280160173 377679624 /nfs/dbraw/zinc/67/96/24/377679624.db2.gz RMOVALCUNFKYAK-UHFFFAOYSA-N -1 0 318.333 -0.229 20 0 DBADRM COC[C@@H](CO)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000280270003 377685184 /nfs/dbraw/zinc/68/51/84/377685184.db2.gz PGLWAUJOBSKZRT-SECBINFHSA-N -1 0 323.374 -0.041 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)NC)c2)cn1 ZINC000340081246 377725225 /nfs/dbraw/zinc/72/52/25/377725225.db2.gz POQSDWJVPYQXEU-UHFFFAOYSA-N -1 0 312.355 -0.354 20 0 DBADRM O=c1nc(CCNS(=O)(=O)c2ccc3c(c2)CCO3)[n-]o1 ZINC000281277068 377727118 /nfs/dbraw/zinc/72/71/18/377727118.db2.gz WTJNLIDBHWGFFC-UHFFFAOYSA-N -1 0 311.319 -0.181 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)[N-]OC[C@H]1CCOC1 ZINC000281294776 377729692 /nfs/dbraw/zinc/72/96/92/377729692.db2.gz SUDNZXKORWZTIB-WFASDCNBSA-N -1 0 310.350 -0.008 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)[N-]OC[C@H]1CCOC1 ZINC000281294771 377730494 /nfs/dbraw/zinc/73/04/94/377730494.db2.gz SUDNZXKORWZTIB-SWLSCSKDSA-N -1 0 310.350 -0.008 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2CCCC(=O)N2)s1 ZINC000340100356 377741622 /nfs/dbraw/zinc/74/16/22/377741622.db2.gz DAPGPLWRLAILRH-RXMQYKEDSA-N -1 0 319.368 -0.483 20 0 DBADRM COc1cncc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])c1 ZINC000281779114 377749201 /nfs/dbraw/zinc/74/92/01/377749201.db2.gz HEAZDFALPPWZGN-GFCCVEGCSA-N -1 0 318.351 -0.158 20 0 DBADRM O=C(CN1CCOCC1)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000282031129 377760237 /nfs/dbraw/zinc/76/02/37/377760237.db2.gz XYYKVLDCKMOVDF-UHFFFAOYSA-N -1 0 304.310 -0.774 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000282132118 377765099 /nfs/dbraw/zinc/76/50/99/377765099.db2.gz IPWCEVDTTWLLIC-HZGVNTEJSA-N -1 0 317.305 -0.310 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC000290893139 377917139 /nfs/dbraw/zinc/91/71/39/377917139.db2.gz DCGBLQCLFGVKEG-SSDOTTSWSA-N -1 0 321.307 -0.166 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000290995609 377921315 /nfs/dbraw/zinc/92/13/15/377921315.db2.gz SFBJIWXPODSHCO-SECBINFHSA-N -1 0 305.356 -0.195 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)NC1=NO[C@@H](C)C1 ZINC000291219409 377923669 /nfs/dbraw/zinc/92/36/69/377923669.db2.gz GNJPSPAVWBNKAT-LURJTMIESA-N -1 0 316.339 -0.192 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)NC1=NO[C@H](C)C1 ZINC000291219417 377923924 /nfs/dbraw/zinc/92/39/24/377923924.db2.gz GNJPSPAVWBNKAT-ZCFIWIBFSA-N -1 0 316.339 -0.192 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)NC[C@H](C)CCO ZINC000291272578 377924102 /nfs/dbraw/zinc/92/41/02/377924102.db2.gz LLWOCIURSIJWGD-MRVPVSSYSA-N -1 0 319.383 -0.296 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)N(C)[C@@H](C)CO ZINC000291653326 377931390 /nfs/dbraw/zinc/93/13/90/377931390.db2.gz UUEPTNFRTDHBBM-ZETCQYMHSA-N -1 0 305.356 -0.591 20 0 DBADRM Cc1c(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])cnn1C ZINC000291880113 377938446 /nfs/dbraw/zinc/93/84/46/377938446.db2.gz MWAOZWZDFSTGAE-NSHDSACASA-N -1 0 305.356 -0.520 20 0 DBADRM CC[C@H](C)CO[N-]C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000292237440 377946281 /nfs/dbraw/zinc/94/62/81/377946281.db2.gz QBBYWMCWSJTYSQ-VIFPVBQESA-N -1 0 323.353 -0.472 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)[N-]OCC(N)=O)cc1C ZINC000290368702 377902856 /nfs/dbraw/zinc/90/28/56/377902856.db2.gz NCNCKENNOYZLIY-UHFFFAOYSA-N -1 0 315.351 -0.885 20 0 DBADRM O=C([O-])C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000290398661 377903465 /nfs/dbraw/zinc/90/34/65/377903465.db2.gz DIFPSLDWQODNEN-UHFFFAOYSA-N -1 0 307.306 -0.020 20 0 DBADRM CCOC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC000290455486 377905468 /nfs/dbraw/zinc/90/54/68/377905468.db2.gz DCGBLQCLFGVKEG-ZETCQYMHSA-N -1 0 321.307 -0.166 20 0 DBADRM CCOC[C@H](NS(=O)(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-] ZINC000290720431 377912254 /nfs/dbraw/zinc/91/22/54/377912254.db2.gz UZCPJGBDCFUZNK-VIFPVBQESA-N -1 0 320.323 -0.431 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000263575610 377974667 /nfs/dbraw/zinc/97/46/67/377974667.db2.gz PIARQMZFJVMRGL-LBPRGKRZSA-N -1 0 308.334 -0.097 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000340450010 377982953 /nfs/dbraw/zinc/98/29/53/377982953.db2.gz DSZGFNIELNDFDC-SSDOTTSWSA-N -1 0 307.349 -0.159 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cn1C ZINC000340452665 377985844 /nfs/dbraw/zinc/98/58/44/377985844.db2.gz ZJFYNXBHFLDSDE-MRVPVSSYSA-N -1 0 316.335 -0.093 20 0 DBADRM CC(=O)N1CCC(NC(=O)CNC(=O)c2ncccc2O)CC1 ZINC000343159746 378146650 /nfs/dbraw/zinc/14/66/50/378146650.db2.gz ZOUHREXBJATEQA-UHFFFAOYSA-N -1 0 320.349 -0.356 20 0 DBADRM CCC(CC)(NC(=O)CNS(=O)(=O)CCCOC)C(=O)[O-] ZINC000342534794 378101448 /nfs/dbraw/zinc/10/14/48/378101448.db2.gz XHBWSQJNGUQEHM-UHFFFAOYSA-N -1 0 324.399 -0.298 20 0 DBADRM O=c1[n-]c(C2CCN(S(=O)(=O)[C@H]3CCOC3)CC2)n[nH]1 ZINC000328866739 378191107 /nfs/dbraw/zinc/19/11/07/378191107.db2.gz WVXFIJPHZCLJHT-VIFPVBQESA-N -1 0 302.356 -0.192 20 0 DBADRM CNC(=O)CN1CCC([N-]S(=O)(=O)CC(F)(F)F)CC1 ZINC000330716214 378259072 /nfs/dbraw/zinc/25/90/72/378259072.db2.gz CPNNPBSOIFNXGS-UHFFFAOYSA-N -1 0 317.333 -0.322 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CCOC1 ZINC000262318465 378307523 /nfs/dbraw/zinc/30/75/23/378307523.db2.gz QNRUCZPLWXZFGU-WRWORJQWSA-N -1 0 324.255 -0.243 20 0 DBADRM CNC(=O)[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CCO1 ZINC000180237974 378313052 /nfs/dbraw/zinc/31/30/52/378313052.db2.gz DLYBTJZNJVXOCK-VIFPVBQESA-N -1 0 308.363 -0.069 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCn2ccnc2C1)[C@H](C)C(=O)[O-] ZINC000623176522 378360501 /nfs/dbraw/zinc/36/05/01/378360501.db2.gz DADRFIRMUZQPHS-PWSUYJOCSA-N -1 0 322.365 -0.117 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)N(C)CCC(=O)OC ZINC000348947417 378403269 /nfs/dbraw/zinc/40/32/69/378403269.db2.gz BYPWERFIDWNWCF-SECBINFHSA-N -1 0 310.372 -0.089 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000583499936 378403992 /nfs/dbraw/zinc/40/39/92/378403992.db2.gz GISGFHWWPNTMLK-UWVGGRQHSA-N -1 0 313.354 -0.850 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000399106403 378408402 /nfs/dbraw/zinc/40/84/02/378408402.db2.gz WBNZHXJMBKUWHG-VHSXEESVSA-N -1 0 309.322 -0.884 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)c1n[nH]c(=O)[n-]1)N1CCCC1 ZINC000536545920 378409891 /nfs/dbraw/zinc/40/98/91/378409891.db2.gz PKSVWMMNBHMIAG-JTQLQIEISA-N -1 0 323.353 -0.246 20 0 DBADRM CCN(CC(=O)[O-])C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000532253288 378449195 /nfs/dbraw/zinc/44/91/95/378449195.db2.gz VYMYKTZPVYVOPN-UHFFFAOYSA-N -1 0 306.365 -0.129 20 0 DBADRM Cn1cnn(CC(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)c1=O ZINC000329175753 378463569 /nfs/dbraw/zinc/46/35/69/378463569.db2.gz MHAWWTHAYKVYEW-QMMMGPOBSA-N -1 0 307.314 -0.841 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCO1 ZINC000584348791 378434152 /nfs/dbraw/zinc/43/41/52/378434152.db2.gz KSCXQUXSSWDVPD-MRVPVSSYSA-N -1 0 304.324 -0.251 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000332745700 378547783 /nfs/dbraw/zinc/54/77/83/378547783.db2.gz FUUZVBCZMDHAHE-MNOVXSKESA-N -1 0 315.333 -0.094 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1CCNC(=O)c1cnc([O-])n(C)c1=O ZINC000617731223 378563965 /nfs/dbraw/zinc/56/39/65/378563965.db2.gz XACXQVXZJAQYCX-ZJUUUORDSA-N -1 0 310.354 -0.675 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1=O ZINC000532678808 378584856 /nfs/dbraw/zinc/58/48/56/378584856.db2.gz YWPGLVDHSCKNFV-QMMMGPOBSA-N -1 0 311.294 -0.880 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000532692906 378584974 /nfs/dbraw/zinc/58/49/74/378584974.db2.gz VADSYLACHCNRBI-LLVKDONJSA-N -1 0 314.363 -0.262 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000532677100 378585321 /nfs/dbraw/zinc/58/53/21/378585321.db2.gz GWWIXLAWBWNGGD-SSDOTTSWSA-N -1 0 303.340 -0.190 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N(CC[NH+](C)C)CC(=O)[O-] ZINC000532674782 378585497 /nfs/dbraw/zinc/58/54/97/378585497.db2.gz DUNBZSVEOGYNCP-JTQLQIEISA-N -1 0 317.411 -0.227 20 0 DBADRM Cc1cc(C(=O)NCCOCCO)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000532564616 378581348 /nfs/dbraw/zinc/58/13/48/378581348.db2.gz NLZCQEKHAJBBSE-UHFFFAOYSA-N -1 0 308.294 -0.517 20 0 DBADRM O=c1nc(CCCNC2=NS(=O)(=O)c3ccccc32)[nH][n-]1 ZINC000301492055 378598951 /nfs/dbraw/zinc/59/89/51/378598951.db2.gz OURBSYUCQHPACX-UHFFFAOYSA-N -1 0 307.335 -0.231 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)NC(C)(C)c1nnn[n-]1 ZINC000353360309 378655901 /nfs/dbraw/zinc/65/59/01/378655901.db2.gz YJJXRMNMMVAHMR-UHFFFAOYSA-N -1 0 318.337 -0.010 20 0 DBADRM Cn1ccc([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)n1 ZINC000353660469 378677137 /nfs/dbraw/zinc/67/71/37/378677137.db2.gz TXBAFJJROWFTKT-UHFFFAOYSA-N -1 0 316.364 -0.132 20 0 DBADRM CC(C)(NC(=O)c1csc(S(N)(=O)=O)c1)c1nnn[n-]1 ZINC000354781677 378764776 /nfs/dbraw/zinc/76/47/76/378764776.db2.gz GWQXXEZUKUWCNS-UHFFFAOYSA-N -1 0 316.368 -0.426 20 0 DBADRM CC(C)(NC(=O)CS(=O)(=O)C1CCCC1)c1nnn[n-]1 ZINC000354789168 378766894 /nfs/dbraw/zinc/76/68/94/378766894.db2.gz NQUKOACBRVWGNR-UHFFFAOYSA-N -1 0 301.372 -0.092 20 0 DBADRM CC(C)(NC(=O)COc1ccc(C(N)=O)cc1)c1nnn[n-]1 ZINC000354789766 378766949 /nfs/dbraw/zinc/76/69/49/378766949.db2.gz SSMAFPXGKZLOST-UHFFFAOYSA-N -1 0 304.310 -0.271 20 0 DBADRM COCCn1cc(NC(=O)c2c(C)[n-]n(CCOC)c2=O)cn1 ZINC000355323623 378805488 /nfs/dbraw/zinc/80/54/88/378805488.db2.gz QXDYEKWSJHBIBP-LBPRGKRZSA-N -1 0 323.353 -0.051 20 0 DBADRM CNS(=O)(=O)CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000355755062 378835973 /nfs/dbraw/zinc/83/59/73/378835973.db2.gz ZQURVTHLJVBNLB-UHFFFAOYSA-N -1 0 311.323 -0.335 20 0 DBADRM COc1n[nH]c(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)n1 ZINC000355868621 378842169 /nfs/dbraw/zinc/84/21/69/378842169.db2.gz YEAZMOAPMCEICU-UHFFFAOYSA-N -1 0 319.277 -0.090 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)C(=O)N1CCc2c1cc(F)cc2F ZINC000355990638 378847046 /nfs/dbraw/zinc/84/70/46/378847046.db2.gz ATJWHCYPQMCCIA-UHFFFAOYSA-N -1 0 323.259 -0.006 20 0 DBADRM CC(C)OC[C@H](CO)N(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000357212835 378928456 /nfs/dbraw/zinc/92/84/56/378928456.db2.gz KJZGNOFHJLJANS-QMMMGPOBSA-N -1 0 304.372 -0.153 20 0 DBADRM COCCOCCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000357292502 378934606 /nfs/dbraw/zinc/93/46/06/378934606.db2.gz GHWYDIOUZASSIR-UHFFFAOYSA-N -1 0 324.384 -0.099 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)CC(=O)N(C)C)ccc1[O-] ZINC000357344875 378938890 /nfs/dbraw/zinc/93/88/90/378938890.db2.gz ILQOXBIFHJRUNY-UHFFFAOYSA-N -1 0 315.351 -0.283 20 0 DBADRM CCOC(=O)[C@@H](CO)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000356937621 378908338 /nfs/dbraw/zinc/90/83/38/378908338.db2.gz QTIPYEGJGACGBK-SNVBAGLBSA-N -1 0 321.289 -0.316 20 0 DBADRM O=C(CCn1ccnn1)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000357004357 378912825 /nfs/dbraw/zinc/91/28/25/378912825.db2.gz XNZXVLGOQISKRC-UHFFFAOYSA-N -1 0 300.282 -0.012 20 0 DBADRM O=C(Cn1ncc(=O)c2ccccc21)NC1(c2nnn[n-]2)CC1 ZINC000357041505 378914141 /nfs/dbraw/zinc/91/41/41/378914141.db2.gz FTIPGEOGQWFCLX-UHFFFAOYSA-N -1 0 311.305 -0.285 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)NC2(c3nnn[n-]3)CC2)C1=O ZINC000357071099 378916401 /nfs/dbraw/zinc/91/64/01/378916401.db2.gz DTRATWGFEVTZQD-UHFFFAOYSA-N -1 0 321.341 -0.584 20 0 DBADRM Cn1c2ccccc2n(CC(=O)NC2(c3nnn[n-]3)CC2)c1=O ZINC000357067024 378916450 /nfs/dbraw/zinc/91/64/50/378916450.db2.gz IVLKNMRVVZSZEK-UHFFFAOYSA-N -1 0 313.321 -0.341 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000358398119 379036913 /nfs/dbraw/zinc/03/69/13/379036913.db2.gz WFJCJDOFDUFPDO-VIFPVBQESA-N -1 0 318.403 -0.567 20 0 DBADRM Cn1ncc2c1[n-]cc(C(=O)Nc1cnn(CC(N)=O)c1)c2=O ZINC000358323909 379025888 /nfs/dbraw/zinc/02/58/88/379025888.db2.gz OGUFZXFVTKVGDF-UHFFFAOYSA-N -1 0 315.293 -0.392 20 0 DBADRM O=C(CN1C(=O)COc2ccccc21)NCc1n[nH]c(=O)[n-]1 ZINC000358358620 379029265 /nfs/dbraw/zinc/02/92/65/379029265.db2.gz QCHRICIJBHKAOH-UHFFFAOYSA-N -1 0 303.278 -0.448 20 0 DBADRM Cn1c2ccccc2n(CC(=O)NCc2n[nH]c(=O)[n-]2)c1=O ZINC000358365219 379032654 /nfs/dbraw/zinc/03/26/54/379032654.db2.gz GPCKUJQSNQFLIO-UHFFFAOYSA-N -1 0 302.294 -0.520 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cnn(C)c2)C1=O ZINC000358701900 379077784 /nfs/dbraw/zinc/07/77/84/379077784.db2.gz ZCTMTYJNWJHGOE-MNOVXSKESA-N -1 0 308.338 -0.140 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)[C@H](C)n2cncn2)C1=O ZINC000358709188 379078394 /nfs/dbraw/zinc/07/83/94/379078394.db2.gz DVPRXPXEXXZXTG-HBNTYKKESA-N -1 0 323.353 -0.335 20 0 DBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000358945519 379110494 /nfs/dbraw/zinc/11/04/94/379110494.db2.gz FIKXBVVWAIPKDP-YFKPBYRVSA-N -1 0 310.343 -0.371 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCC1)[C@@H](C)O ZINC000360181354 379234804 /nfs/dbraw/zinc/23/48/04/379234804.db2.gz BVQCUWAXFSVIJN-RKDXNWHRSA-N -1 0 323.367 -0.829 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)CC1(C(=O)OC)CCC1 ZINC000360181275 379235716 /nfs/dbraw/zinc/23/57/16/379235716.db2.gz BNPOGMSATMTHBV-VIFPVBQESA-N -1 0 323.367 -0.827 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCC1)[C@H](C)O ZINC000360181352 379236713 /nfs/dbraw/zinc/23/67/13/379236713.db2.gz BVQCUWAXFSVIJN-DTWKUNHWSA-N -1 0 323.367 -0.829 20 0 DBADRM C[C@H](O)CN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000360405514 379263529 /nfs/dbraw/zinc/26/35/29/379263529.db2.gz AMSMQKNQLPXMFV-LURJTMIESA-N -1 0 314.323 -0.563 20 0 DBADRM O=C([O-])C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000360406032 379264340 /nfs/dbraw/zinc/26/43/40/379264340.db2.gz CSRQLTHPJDSXDL-UHFFFAOYSA-N -1 0 323.324 -0.216 20 0 DBADRM O=C([O-])C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000360409742 379264768 /nfs/dbraw/zinc/26/47/68/379264768.db2.gz YXXWZQXGVNAPGT-SECBINFHSA-N -1 0 318.285 -0.405 20 0 DBADRM CC1(C)NC(=O)N(CCCS(=O)(=O)c2ncc[n-]2)C1=O ZINC000361282799 379340105 /nfs/dbraw/zinc/34/01/05/379340105.db2.gz XYFYADVTKQIKIV-UHFFFAOYSA-N -1 0 300.340 -0.096 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C1(C(=O)OC)CC1 ZINC000360845035 379304999 /nfs/dbraw/zinc/30/49/99/379304999.db2.gz LNASVWUNSTTWIK-UHFFFAOYSA-N -1 0 320.348 -0.086 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCC(=O)[O-])cc1 ZINC000362433462 379439340 /nfs/dbraw/zinc/43/93/40/379439340.db2.gz CIAZUTITYWIEPJ-SECBINFHSA-N -1 0 300.336 -0.137 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000362575792 379448465 /nfs/dbraw/zinc/44/84/65/379448465.db2.gz LJRKNUWFQQXXDS-DTWKUNHWSA-N -1 0 300.336 -0.057 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC000362244171 379420786 /nfs/dbraw/zinc/42/07/86/379420786.db2.gz KDLOIWSMUJKSEW-UHFFFAOYSA-N -1 0 301.386 -0.453 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@]2(CO)CCOC2)cn1 ZINC000626447670 379519177 /nfs/dbraw/zinc/51/91/77/379519177.db2.gz XIFFGWWSAAZPOG-LBPRGKRZSA-N -1 0 315.351 -0.666 20 0 DBADRM CC1CCN(C(=O)C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CC1 ZINC000368903984 379558341 /nfs/dbraw/zinc/55/83/41/379558341.db2.gz DSMXBZLIKJQYDP-JTQLQIEISA-N -1 0 308.342 -0.642 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1ccc(N(C)C)nc1)C(=O)[O-] ZINC000582358185 379638904 /nfs/dbraw/zinc/63/89/04/379638904.db2.gz JYTDUJZTCXFSGT-SNVBAGLBSA-N -1 0 317.367 -0.084 20 0 DBADRM Cc1ccc(CN(C)C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)o1 ZINC000643452888 379639141 /nfs/dbraw/zinc/63/91/41/379639141.db2.gz UIJNDJWTSXIZLQ-LLVKDONJSA-N -1 0 310.306 -0.142 20 0 DBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)NCc2nnc3n2CCCC3)C1 ZINC000582278786 379607256 /nfs/dbraw/zinc/60/72/56/379607256.db2.gz IOEBGMOATKZNHU-UWVGGRQHSA-N -1 0 323.353 -0.002 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCS1 ZINC000643460365 379700908 /nfs/dbraw/zinc/70/09/08/379700908.db2.gz WGZZDJJXSXLDDN-ZJUUUORDSA-N -1 0 316.379 -0.348 20 0 DBADRM CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643457012 379685207 /nfs/dbraw/zinc/68/52/07/379685207.db2.gz CFGJLYGKKDXSOU-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM CN(C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C(C1CC1)C1CC1 ZINC000643457823 379687336 /nfs/dbraw/zinc/68/73/36/379687336.db2.gz KQBPYNXHCSPIGE-NSHDSACASA-N -1 0 310.350 -0.055 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CC[C@@H](c3ccco3)C2)CCO1 ZINC000643459165 379696822 /nfs/dbraw/zinc/69/68/22/379696822.db2.gz OGXDSTGXZBGGET-ZYHUDNBSSA-N -1 0 322.317 -0.093 20 0 DBADRM CN(CC1(O)CCCC1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643460396 379701821 /nfs/dbraw/zinc/70/18/21/379701821.db2.gz ZAFUXGOMBTXTOZ-JTQLQIEISA-N -1 0 314.338 -0.938 20 0 DBADRM O=C([O-])[C@H]1CSCN1S(=O)(=O)c1cnc2n1CCC2 ZINC000547903176 379791869 /nfs/dbraw/zinc/79/18/69/379791869.db2.gz OJBBVLAZKSQENY-SSDOTTSWSA-N -1 0 303.365 -0.023 20 0 DBADRM NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C2CC2)nn1 ZINC000349462569 379802220 /nfs/dbraw/zinc/80/22/20/379802220.db2.gz YDJKDELCGGAVRK-UHFFFAOYSA-N -1 0 320.396 -0.226 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1ccc(C)c(C(N)=O)c1)C(=O)[O-] ZINC000230104168 379868211 /nfs/dbraw/zinc/86/82/11/379868211.db2.gz KFDDBHDJBLHMNZ-SNVBAGLBSA-N -1 0 316.335 -0.528 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2ccnn2C)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC000584720915 379839281 /nfs/dbraw/zinc/83/92/81/379839281.db2.gz NFKDKAPXBPFKTM-NQMVMOMDSA-N -1 0 303.340 -0.329 20 0 DBADRM COC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])[C@H]1CCCO1 ZINC000584781425 379843048 /nfs/dbraw/zinc/84/30/48/379843048.db2.gz NTWHPTZHCUTRPI-NXEZZACHSA-N -1 0 302.327 -0.722 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000584817226 379847826 /nfs/dbraw/zinc/84/78/26/379847826.db2.gz CHZMAAMYNGORIC-VWYCJHECSA-N -1 0 311.342 -0.154 20 0 DBADRM CCC(=O)N[C@@H](CCSC)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000610891858 379860397 /nfs/dbraw/zinc/86/03/97/379860397.db2.gz GVEQVBZURJMMPG-UWVGGRQHSA-N -1 0 318.395 -0.054 20 0 DBADRM CCNC(=O)N1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000041654163 379863397 /nfs/dbraw/zinc/86/33/97/379863397.db2.gz JVSHZZQNFKGDHF-UHFFFAOYSA-N -1 0 307.372 -0.472 20 0 DBADRM Cc1c(CNS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cnn1C ZINC000226223708 379864969 /nfs/dbraw/zinc/86/49/69/379864969.db2.gz NTPYXOBBMRJWLV-JTQLQIEISA-N -1 0 316.383 -0.140 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000043702931 379866307 /nfs/dbraw/zinc/86/63/07/379866307.db2.gz QHQBRNYBUQCUSV-MXWKQRLJSA-N -1 0 306.384 -0.006 20 0 DBADRM COC(=O)[C@H]1CC12CCN(C(=O)c1cnc([O-])n(C)c1=O)CC2 ZINC000610585464 379814989 /nfs/dbraw/zinc/81/49/89/379814989.db2.gz WFKNXTYTFUWMSN-SNVBAGLBSA-N -1 0 321.333 -0.099 20 0 DBADRM CO[C@@H](CNS(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-] ZINC000230104891 379867441 /nfs/dbraw/zinc/86/74/41/379867441.db2.gz XNBWKBOVMVLLHK-LBPRGKRZSA-N -1 0 314.363 -0.021 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CCC3)C2)CCO1 ZINC000643467021 379821396 /nfs/dbraw/zinc/82/13/96/379821396.db2.gz LLUJNRMYFLZAQU-NEPJUHHUSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2Cc3cccc(F)c3C2)CCO1 ZINC000643466708 379821661 /nfs/dbraw/zinc/82/16/61/379821661.db2.gz KERXLKJBNMWWEY-GFCCVEGCSA-N -1 0 322.292 -0.020 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)[C@@H]1C(=O)[O-] ZINC000230111243 379867522 /nfs/dbraw/zinc/86/75/22/379867522.db2.gz BENQMQGKNFPHIA-XCBNKYQSSA-N -1 0 315.351 -0.392 20 0 DBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)NCCCS(C)(=O)=O)C1 ZINC000044567853 379867546 /nfs/dbraw/zinc/86/75/46/379867546.db2.gz TWNMDJTTWGEGKJ-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM COC[C@H](O)CCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000230180773 379867569 /nfs/dbraw/zinc/86/75/69/379867569.db2.gz XPAYYJIMOGAOSB-MRVPVSSYSA-N -1 0 318.351 -0.159 20 0 DBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000230065825 379867722 /nfs/dbraw/zinc/86/77/22/379867722.db2.gz YQVLKSCJHBMIJI-JTQLQIEISA-N -1 0 318.307 -0.150 20 0 DBADRM CC(C)OCCCN(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643467343 379822922 /nfs/dbraw/zinc/82/29/22/379822922.db2.gz GQCQQUCBFUIVMB-LLVKDONJSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)c1sccc1S(=O)(=O)NC[C@@H](OC)C(=O)[O-] ZINC000230102954 379868066 /nfs/dbraw/zinc/86/80/66/379868066.db2.gz CTDYZNRDAPNDCN-ZCFIWIBFSA-N -1 0 323.348 -0.087 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)Cn1nc2ccccn2c1=O ZINC000261668953 379920365 /nfs/dbraw/zinc/92/03/65/379920365.db2.gz HAQPPJLYTXGUEC-SNVBAGLBSA-N -1 0 320.305 -0.802 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000547963741 379883610 /nfs/dbraw/zinc/88/36/10/379883610.db2.gz VRRUFQKXDOUKMO-UHFFFAOYSA-N -1 0 313.282 -0.472 20 0 DBADRM NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC000037731482 379884200 /nfs/dbraw/zinc/88/42/00/379884200.db2.gz IGLUOBINFDJZFG-UHFFFAOYSA-N -1 0 302.337 -0.142 20 0 DBADRM CO[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCO1 ZINC000626601014 380056843 /nfs/dbraw/zinc/05/68/43/380056843.db2.gz DVHITQRGOOZGDX-LLVKDONJSA-N -1 0 315.351 -0.102 20 0 DBADRM NS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000070416959 380089537 /nfs/dbraw/zinc/08/95/37/380089537.db2.gz GSIMWPMXYHJOAJ-UHFFFAOYSA-N -1 0 317.352 -0.174 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCCCNc1ccccn1 ZINC000420528525 380064698 /nfs/dbraw/zinc/06/46/98/380064698.db2.gz BLIZKDHZVOHEEC-UHFFFAOYSA-N -1 0 308.338 -0.067 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000420569087 380065290 /nfs/dbraw/zinc/06/52/90/380065290.db2.gz VDRBZZCNOKRROQ-LLVKDONJSA-N -1 0 319.317 -0.501 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)[C@@H]1OC ZINC000420566877 380065441 /nfs/dbraw/zinc/06/54/41/380065441.db2.gz URKMTRXIHDYBON-MMWGEVLESA-N -1 0 314.338 -0.772 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCCNc2ccccn2)C1 ZINC000420537821 380065454 /nfs/dbraw/zinc/06/54/54/380065454.db2.gz OOFRPRXCNNBXPZ-NSHDSACASA-N -1 0 320.349 -0.067 20 0 DBADRM CCOC(=O)C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000420568825 380065570 /nfs/dbraw/zinc/06/55/70/380065570.db2.gz XIIQVKGXSCMZKJ-VHSXEESVSA-N -1 0 316.354 -0.129 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000420590160 380067126 /nfs/dbraw/zinc/06/71/26/380067126.db2.gz JTNBOQVENMJHTC-UWVGGRQHSA-N -1 0 311.338 -0.763 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000420551682 380067205 /nfs/dbraw/zinc/06/72/05/380067205.db2.gz FCGSLTQCGGQVBM-ZJUUUORDSA-N -1 0 314.338 -0.185 20 0 DBADRM COC[C@@H](NC(=O)C(=O)N(C)CCCC(=O)[O-])[C@@H]1CCCO1 ZINC000420553101 380067252 /nfs/dbraw/zinc/06/72/52/380067252.db2.gz GNDYHSMNCMUHBS-MNOVXSKESA-N -1 0 316.354 -0.380 20 0 DBADRM CN(C[C@H]1CCCC[C@H]1O)C(=O)C(=O)NCCCC(=O)[O-] ZINC000420595020 380068420 /nfs/dbraw/zinc/06/84/20/380068420.db2.gz QWCKJVSDKFNHDX-GHMZBOCLSA-N -1 0 300.355 -0.023 20 0 DBADRM CCOC(=O)[C@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000420592702 380068913 /nfs/dbraw/zinc/06/89/13/380068913.db2.gz NAYSIDBIUHYBTN-JTQLQIEISA-N -1 0 314.338 -0.231 20 0 DBADRM COC(=O)[C@]1(C)CN(C(=O)C(=O)NCCCC(=O)[O-])C[C@H]1C ZINC000420599086 380069018 /nfs/dbraw/zinc/06/90/18/380069018.db2.gz XRBODEVUMMYUDR-YMTOWFKASA-N -1 0 314.338 -0.375 20 0 DBADRM CC(C)OC(=O)CCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000420574611 380071252 /nfs/dbraw/zinc/07/12/52/380071252.db2.gz UJXUARASDYQFTC-JTQLQIEISA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](CC(C)C)OC)[C@@H](C)O ZINC000420686615 380074690 /nfs/dbraw/zinc/07/46/90/380074690.db2.gz HYXWNGBEGUQASO-OUAUKWLOSA-N -1 0 311.400 -0.111 20 0 DBADRM O=C([O-])CN(C1CC1)S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000050351153 183782313 /nfs/dbraw/zinc/78/23/13/183782313.db2.gz GESMCXIDJMRLOA-UHFFFAOYSA-N -1 0 311.381 -0.558 20 0 DBADRM CNC(=O)c1cccc(CN2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000571806723 380120969 /nfs/dbraw/zinc/12/09/69/380120969.db2.gz OKKKGOHEAOJYEJ-UHFFFAOYSA-N -1 0 305.334 -0.225 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000262862326 380204423 /nfs/dbraw/zinc/20/44/23/380204423.db2.gz UFOBKVOXNBHDAO-KOLCDFICSA-N -1 0 307.368 -0.193 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000262051857 380166892 /nfs/dbraw/zinc/16/68/92/380166892.db2.gz BWXCAMRIQLUJJX-GHMZBOCLSA-N -1 0 316.379 -0.220 20 0 DBADRM CN(CC(C)(C)O)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000611756117 380207129 /nfs/dbraw/zinc/20/71/29/380207129.db2.gz ZOQFUSNUOUXPHQ-UHFFFAOYSA-N -1 0 302.352 -0.118 20 0 DBADRM COCc1cc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])no1 ZINC000262158775 380174279 /nfs/dbraw/zinc/17/42/79/380174279.db2.gz BRTVHFOWPYERBI-MRVPVSSYSA-N -1 0 313.310 -0.128 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C)CCC(=O)[O-] ZINC000262203714 380180087 /nfs/dbraw/zinc/18/00/87/380180087.db2.gz WKIATHURFJQQCD-SNVBAGLBSA-N -1 0 324.399 -0.300 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000262333174 380182911 /nfs/dbraw/zinc/18/29/11/380182911.db2.gz WFXGGXUVAGXRBN-LLVKDONJSA-N -1 0 310.350 -0.051 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccco1 ZINC000262418234 380187676 /nfs/dbraw/zinc/18/76/76/380187676.db2.gz UOQASXPCHNXGOA-MRVPVSSYSA-N -1 0 304.324 -0.121 20 0 DBADRM Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CCO2)n1 ZINC000262455798 380188957 /nfs/dbraw/zinc/18/89/57/380188957.db2.gz XEJRAXUBCWLHBS-QJPTWQEYSA-N -1 0 308.338 -0.157 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N(C)C(C)(C)C(=O)[O-] ZINC000262485198 380191525 /nfs/dbraw/zinc/19/15/25/380191525.db2.gz VIGXBPVTFZYYKD-UHFFFAOYSA-N -1 0 301.343 -0.660 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1CC[C@H](C)C1 ZINC000262480265 380192122 /nfs/dbraw/zinc/19/21/22/380192122.db2.gz VQHHNPCWHMMWHP-VHSXEESVSA-N -1 0 321.399 -0.516 20 0 DBADRM C[C@](O)(CNC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000262524537 380193557 /nfs/dbraw/zinc/19/35/57/380193557.db2.gz OIQATLTXMKLHQP-HNNXBMFYSA-N -1 0 320.301 -0.376 20 0 DBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(CC2CCC2)CCO1 ZINC000262958965 380206516 /nfs/dbraw/zinc/20/65/16/380206516.db2.gz PXCXBZDAQSSLEK-LBPRGKRZSA-N -1 0 320.411 -0.167 20 0 DBADRM CNC(=O)[C@@H](NC(=O)CN(C)[C@H](C)C(=O)[O-])c1ccccc1 ZINC000262671510 380198174 /nfs/dbraw/zinc/19/81/74/380198174.db2.gz RUARURRZVPWJPJ-MFKMUULPSA-N -1 0 307.350 -0.005 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000262727712 380200139 /nfs/dbraw/zinc/20/01/39/380200139.db2.gz GWPQYRUZIWRIRB-KOLCDFICSA-N -1 0 307.368 -0.194 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000262723218 380200286 /nfs/dbraw/zinc/20/02/86/380200286.db2.gz QUOWVXBFBHQGLM-ZJUUUORDSA-N -1 0 322.383 -0.688 20 0 DBADRM CN(C)C(=O)c1cc(S(=O)(=O)N(C)CC(=O)[O-])cn1C ZINC000261751401 380154984 /nfs/dbraw/zinc/15/49/84/380154984.db2.gz JYBJPTWSZFBKJT-UHFFFAOYSA-N -1 0 303.340 -0.568 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])cn1 ZINC000262910109 380204375 /nfs/dbraw/zinc/20/43/75/380204375.db2.gz HHUUCUHHTYHZBZ-KOLCDFICSA-N -1 0 307.306 -0.245 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC[C@H](OC)C(=O)[O-])o1 ZINC000263058392 380208082 /nfs/dbraw/zinc/20/80/82/380208082.db2.gz HCJVHHKJYIJWJO-ZETCQYMHSA-N -1 0 306.296 -0.983 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-] ZINC000263403086 380217478 /nfs/dbraw/zinc/21/74/78/380217478.db2.gz FOABUWJNPZNFQG-ONGXEEELSA-N -1 0 310.306 -0.156 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000263567288 380223551 /nfs/dbraw/zinc/22/35/51/380223551.db2.gz XJEQSOVSOIWMDY-BBBLOLIVSA-N -1 0 318.395 -0.117 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cncc(N2CCCC2=O)c1 ZINC000626704693 380238415 /nfs/dbraw/zinc/23/84/15/380238415.db2.gz JUHVNPMARZIAOU-UHFFFAOYSA-N -1 0 317.305 -0.143 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C[C@@H](CO)O1 ZINC000422631002 380294079 /nfs/dbraw/zinc/29/40/79/380294079.db2.gz CYTIXIPSWBGGHX-ZJUUUORDSA-N -1 0 322.317 -0.069 20 0 DBADRM CCN1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1=O ZINC000422646949 380294107 /nfs/dbraw/zinc/29/41/07/380294107.db2.gz VYMLINYTNDGDEV-UHFFFAOYSA-N -1 0 305.290 -0.029 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000422699478 380296057 /nfs/dbraw/zinc/29/60/57/380296057.db2.gz AQUCPCQXRBAICV-GRYCIOLGSA-N -1 0 322.365 -0.043 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000422723744 380296392 /nfs/dbraw/zinc/29/63/92/380296392.db2.gz SHPAKFBBJJWNHV-JQWIXIFHSA-N -1 0 322.365 -0.123 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000422725148 380296573 /nfs/dbraw/zinc/29/65/73/380296573.db2.gz XNTQWFLCEXMCMU-MXWKQRLJSA-N -1 0 300.355 -0.046 20 0 DBADRM COCCOCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000422726027 380296634 /nfs/dbraw/zinc/29/66/34/380296634.db2.gz YYVFCWTXJHXVNY-WDEREUQCSA-N -1 0 316.354 -0.665 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC2(CO)CC2)C1 ZINC000422824712 380298519 /nfs/dbraw/zinc/29/85/19/380298519.db2.gz ODRLHPXVFKCJBO-MNOVXSKESA-N -1 0 312.366 -0.214 20 0 DBADRM CCCN(CC(C)(C)O)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000422810763 380298666 /nfs/dbraw/zinc/29/86/66/380298666.db2.gz SJYDFXLZPFFTQU-SNVBAGLBSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000422831677 380300169 /nfs/dbraw/zinc/30/01/69/380300169.db2.gz TVDQPVSEMUYAQP-WHOHXGKFSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000422831674 380300449 /nfs/dbraw/zinc/30/04/49/380300449.db2.gz TVDQPVSEMUYAQP-FIQHERPVSA-N -1 0 310.350 -0.055 20 0 DBADRM CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000422853562 380300573 /nfs/dbraw/zinc/30/05/73/380300573.db2.gz ZELKTGUEWIMRIP-VIFPVBQESA-N -1 0 302.327 -0.280 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000422838496 380300637 /nfs/dbraw/zinc/30/06/37/380300637.db2.gz OOTOOGVWJNXLHT-OUAUKWLOSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C[C@@H]1O ZINC000422863406 380301569 /nfs/dbraw/zinc/30/15/69/380301569.db2.gz OYPWOLALHWRDMT-KZTGVZKYSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@H](C)[C@@H](O)C2)C1 ZINC000422871036 380301758 /nfs/dbraw/zinc/30/17/58/380301758.db2.gz ZOPQUOYEIALNBW-RHYQMDGZSA-N -1 0 312.366 -0.215 20 0 DBADRM COCCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC000422875062 380302169 /nfs/dbraw/zinc/30/21/69/380302169.db2.gz BLPILEOCJIDAPF-QWRGUYRKSA-N -1 0 316.354 -0.571 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C1 ZINC000422861009 380302245 /nfs/dbraw/zinc/30/22/45/380302245.db2.gz ISAISMKJNXNMQQ-ZETOZRRWSA-N -1 0 312.366 -0.071 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N(C)CCCC(=O)[O-])C[C@H](C)O1 ZINC000422876307 380302373 /nfs/dbraw/zinc/30/23/73/380302373.db2.gz GCKIVGHIGZSRNQ-WDEREUQCSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)N(C)CCCC(=O)[O-])[C@H]1C ZINC000422921901 380303448 /nfs/dbraw/zinc/30/34/48/380303448.db2.gz PJXVQBLZTACPED-UWVGGRQHSA-N -1 0 314.338 -0.280 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CF)C2)C1 ZINC000422929290 380303491 /nfs/dbraw/zinc/30/34/91/380303491.db2.gz PDBDHDXGLRVJLY-NXEZZACHSA-N -1 0 302.302 -0.494 20 0 DBADRM CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000422897425 380303564 /nfs/dbraw/zinc/30/35/64/380303564.db2.gz JRCRPFKLROKEHF-RWSFTLGLSA-N -1 0 312.366 -0.071 20 0 DBADRM CCOCCOC1CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC000422911172 380303911 /nfs/dbraw/zinc/30/39/11/380303911.db2.gz KBWFYIBXEQTERI-SNVBAGLBSA-N -1 0 316.354 -0.571 20 0 DBADRM CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000422897423 380304042 /nfs/dbraw/zinc/30/40/42/380304042.db2.gz JRCRPFKLROKEHF-FIXISWKDSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CCO1 ZINC000422936862 380305508 /nfs/dbraw/zinc/30/55/08/380305508.db2.gz NDKGTULIPCHJSG-ZIBATOQPSA-N -1 0 310.350 -0.053 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCCc1cnccn1)C(=O)[O-] ZINC000424508246 380395728 /nfs/dbraw/zinc/39/57/28/380395728.db2.gz VNLMYDOYMBOHGT-NSHDSACASA-N -1 0 322.365 -0.002 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424500248 380394717 /nfs/dbraw/zinc/39/47/17/380394717.db2.gz LDHLQALYPJFTHK-SNVBAGLBSA-N -1 0 315.370 -0.556 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)NC[C@@H](C)C(=O)[O-])CCO1 ZINC000626770588 380356528 /nfs/dbraw/zinc/35/65/28/380356528.db2.gz AWMZGMJPAOMCRP-BDAKNGLRSA-N -1 0 302.331 -0.954 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CCO[C@H](CC(N)=O)C1)C(=O)[O-] ZINC000626774653 380360677 /nfs/dbraw/zinc/36/06/77/380360677.db2.gz KWSSFUYCZINMGB-ZJUUUORDSA-N -1 0 301.343 -0.371 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000612817993 380444648 /nfs/dbraw/zinc/44/46/48/380444648.db2.gz OMZXAOJQXGSKAT-DTWKUNHWSA-N -1 0 317.357 -0.870 20 0 DBADRM CCC[C@@H](C(=O)N1CCC[C@H](c2nnn[n-]2)C1)S(N)(=O)=O ZINC000612816434 380446378 /nfs/dbraw/zinc/44/63/78/380446378.db2.gz FPJXMKXFCNMOLA-IUCAKERBSA-N -1 0 316.387 -0.637 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000612816482 380446401 /nfs/dbraw/zinc/44/64/01/380446401.db2.gz GZVFRXHADCQNFR-BDAKNGLRSA-N -1 0 316.387 -0.767 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000612814931 380447272 /nfs/dbraw/zinc/44/72/72/380447272.db2.gz GIRRELUNSOKXRZ-JTQLQIEISA-N -1 0 319.369 -0.194 20 0 DBADRM NC(=O)N[C@H]1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000613126250 380484793 /nfs/dbraw/zinc/48/47/93/380484793.db2.gz PPHNXJCUWHDZMH-JTQLQIEISA-N -1 0 317.305 -0.087 20 0 DBADRM COCC[C@H](CO)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000626881322 380496604 /nfs/dbraw/zinc/49/66/04/380496604.db2.gz OOZCBGDJXFFLOZ-SNVBAGLBSA-N -1 0 317.367 -0.420 20 0 DBADRM CN1CCC(=C([O-])Nc2nc(C3(C)CC3)ns2)S1(=O)=O ZINC000628540432 380516250 /nfs/dbraw/zinc/51/62/50/380516250.db2.gz YSRIXUVTOANODS-ZETCQYMHSA-N -1 0 316.408 -0.016 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000628539641 380516355 /nfs/dbraw/zinc/51/63/55/380516355.db2.gz ABIUGPIUWDDGNO-UHFFFAOYSA-N -1 0 311.367 -0.798 20 0 DBADRM CS(=O)(=O)NCC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC000092617604 380461350 /nfs/dbraw/zinc/46/13/50/380461350.db2.gz DKXPUSCEVMNEKW-SECBINFHSA-N -1 0 303.388 -0.608 20 0 DBADRM O=C(NC[C@H]1CCCN1CC(F)F)c1n[nH]c(=O)[n-]c1=O ZINC000628617174 380537599 /nfs/dbraw/zinc/53/75/99/380537599.db2.gz MXGJFBALUBWIBA-ZCFIWIBFSA-N -1 0 303.269 -0.258 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2COCCC2=O)c1 ZINC000628876012 380568707 /nfs/dbraw/zinc/56/87/07/380568707.db2.gz DMVBAOHFPWLSMI-VIFPVBQESA-N -1 0 314.319 -0.873 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000628922049 380575642 /nfs/dbraw/zinc/57/56/42/380575642.db2.gz USMRKIAWVOAKFT-VIFPVBQESA-N -1 0 319.321 -0.504 20 0 DBADRM O=C([O-])[C@@H](C[C@H]1CCCOC1)NS(=O)(=O)N1CCOCC1 ZINC000629339290 380632021 /nfs/dbraw/zinc/63/20/21/380632021.db2.gz SPHMEVPGEBYSQS-GHMZBOCLSA-N -1 0 322.383 -0.577 20 0 DBADRM O=C([O-])[C@@H](C[C@H]1CCCOC1)NS(=O)(=O)c1c[nH]cn1 ZINC000629340053 380633626 /nfs/dbraw/zinc/63/36/26/380633626.db2.gz XVROGBQXNLWVKR-RKDXNWHRSA-N -1 0 303.340 -0.042 20 0 DBADRM COC(=O)CC1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000435237875 380586963 /nfs/dbraw/zinc/58/69/63/380586963.db2.gz YTJXAKQBNKVXSS-UHFFFAOYSA-N -1 0 309.322 -0.099 20 0 DBADRM CN1C[C@H](C(=O)N=c2nc(C3CCOCC3)[n-]s2)NC1=O ZINC000629105345 380596436 /nfs/dbraw/zinc/59/64/36/380596436.db2.gz SGTGRNCCSAFQHF-MRVPVSSYSA-N -1 0 311.367 -0.184 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)C(=O)CO2 ZINC000629290614 380622174 /nfs/dbraw/zinc/62/21/74/380622174.db2.gz RLFFFPXUVOOWLP-UHFFFAOYSA-N -1 0 323.334 -0.029 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1ccccc1NCCC(N)=O ZINC000629288946 380622279 /nfs/dbraw/zinc/62/22/79/380622279.db2.gz BLZKJEQWADZYLC-UHFFFAOYSA-N -1 0 324.366 -0.097 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC[C@H](O)C(=O)[O-])c1ccc(F)cc1 ZINC000629293735 380622721 /nfs/dbraw/zinc/62/27/21/380622721.db2.gz OSEMFGHKOJVZOY-QWRGUYRKSA-N -1 0 321.326 -0.122 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)n1C ZINC000629293297 380622767 /nfs/dbraw/zinc/62/27/67/380622767.db2.gz IPAXHDUATZPQSI-SNVBAGLBSA-N -1 0 313.339 -0.434 20 0 DBADRM CCO[C@H](CS(=O)(=O)N1CCOC[C@H]1C(=O)[O-])C1CC1 ZINC000629299092 380623794 /nfs/dbraw/zinc/62/37/94/380623794.db2.gz LXMYFVFEGKHNQP-WDEREUQCSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@](CO)(CNS(=O)(=O)[C@@H]1COC(C)(C)C1)CC(=O)[O-] ZINC000629300091 380623913 /nfs/dbraw/zinc/62/39/13/380623913.db2.gz BSEBQUDXFBRSOU-JOYOIKCWSA-N -1 0 309.384 -0.053 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CC(C)(C)OC[C@@H]2C(=O)[O-])n1C ZINC000629305221 380623940 /nfs/dbraw/zinc/62/39/40/380623940.db2.gz YAWPJMDHPJRWJO-SECBINFHSA-N -1 0 317.367 -0.019 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1ccc2c(c1)CCNC2=O ZINC000629303052 380624261 /nfs/dbraw/zinc/62/42/61/380624261.db2.gz JOIOMQWLHATHFX-UHFFFAOYSA-N -1 0 307.335 -0.098 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)N2CCOCC2)[C@](C)(C(=O)[O-])C1 ZINC000629307150 380625227 /nfs/dbraw/zinc/62/52/27/380625227.db2.gz BOPNFLKYDIYSIU-KOLCDFICSA-N -1 0 308.356 -0.873 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)[C@@](C)(C(=O)[O-])C1 ZINC000629310634 380625245 /nfs/dbraw/zinc/62/52/45/380625245.db2.gz VHAVYEPEIQNQKO-GZMMTYOYSA-N -1 0 303.340 -0.327 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2c[nH]c(C)n2)[C@](C)(C(=O)[O-])C1 ZINC000629310479 380625392 /nfs/dbraw/zinc/62/53/92/380625392.db2.gz SPWVMJYSXKGDTF-KCJUWKMLSA-N -1 0 303.340 -0.029 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cnc(C)n2C)[C@@](C)(C(=O)[O-])C1 ZINC000629307717 380625479 /nfs/dbraw/zinc/62/54/79/380625479.db2.gz HBLMMCXYFHWZMF-JOYOIKCWSA-N -1 0 317.367 -0.019 20 0 DBADRM C[C@@H]1CN(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C[C@H](C)O1 ZINC000629306436 380625491 /nfs/dbraw/zinc/62/54/91/380625491.db2.gz YBHLTLAQLTXMCT-KXUCPTDWSA-N -1 0 320.367 -0.601 20 0 DBADRM Cc1ncc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C(=O)[O-])n1C ZINC000629305249 380625497 /nfs/dbraw/zinc/62/54/97/380625497.db2.gz MSLSAIGAHJGSDI-LAEOZQHASA-N -1 0 317.367 -0.020 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)NCc2ncc(C(=O)[O-])cn2)C1 ZINC000629313853 380625703 /nfs/dbraw/zinc/62/57/03/380625703.db2.gz JYIWOQYTTTVJRJ-MRVPVSSYSA-N -1 0 300.340 -0.149 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cn(C)nc2C)[C@](C)(C(=O)[O-])C1 ZINC000629308077 380625760 /nfs/dbraw/zinc/62/57/60/380625760.db2.gz ICIMDGYNOIDFQX-CABZTGNLSA-N -1 0 317.367 -0.019 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000629314543 380626791 /nfs/dbraw/zinc/62/67/91/380626791.db2.gz WQYYIYGLVVOJHD-MRVPVSSYSA-N -1 0 300.340 -0.007 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2cn(C)c(C)n2)[C@](C)(C(=O)[O-])C1 ZINC000629310213 380627222 /nfs/dbraw/zinc/62/72/22/380627222.db2.gz PIEMPFWONDCHOY-SKDRFNHKSA-N -1 0 317.367 -0.019 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC000629309540 380627316 /nfs/dbraw/zinc/62/73/16/380627316.db2.gz UHNZDDQBZFEACW-RQJHMYQMSA-N -1 0 314.310 -0.413 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N2CC(=O)N(C)C(=O)C2)c1 ZINC000575001764 380670580 /nfs/dbraw/zinc/67/05/80/380670580.db2.gz MVAQNSXLWCWIFK-JOCHJYFZSA-N -1 0 324.358 -0.370 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=N[C@@H]2CC(=O)N(C)C2)cc1 ZINC000631123815 380680905 /nfs/dbraw/zinc/68/09/05/380680905.db2.gz AVUOZKDSFBICAF-LLVKDONJSA-N -1 0 302.338 -0.206 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1=O ZINC000458049652 380753910 /nfs/dbraw/zinc/75/39/10/380753910.db2.gz ULNWJUCNBIXRCM-UHFFFAOYSA-N -1 0 311.725 -0.185 20 0 DBADRM CCC(=O)N1CC[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000195406024 380716928 /nfs/dbraw/zinc/71/69/28/380716928.db2.gz CZRDFWXINMAVAM-SSDOTTSWSA-N -1 0 303.306 -0.016 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)[C@H]1CO ZINC000629777535 380718248 /nfs/dbraw/zinc/71/82/48/380718248.db2.gz SJVDDDHFBGSVKJ-QCNOEVLYSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CC2(CO)CC2)CC[C@@H]1C(=O)[O-] ZINC000629776926 380718523 /nfs/dbraw/zinc/71/85/23/380718523.db2.gz LACDDZUZWAACNC-MNOVXSKESA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cc[nH]n2)CC[C@H]1C(=O)[O-] ZINC000629777612 380718761 /nfs/dbraw/zinc/71/87/61/380718761.db2.gz QJHZVRFFJUFVBD-MWLCHTKSSA-N -1 0 308.338 -0.063 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CC2(CO)CC2)CC[C@H]1C(=O)[O-] ZINC000629776924 380718770 /nfs/dbraw/zinc/71/87/70/380718770.db2.gz LACDDZUZWAACNC-GHMZBOCLSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CC2(CO)CC2)CC[C@@H]1C(=O)[O-] ZINC000629776928 380719216 /nfs/dbraw/zinc/71/92/16/380719216.db2.gz LACDDZUZWAACNC-QWRGUYRKSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCc3c[nH]nc3C2)CC[C@H]1C(=O)[O-] ZINC000629775959 380719266 /nfs/dbraw/zinc/71/92/66/380719266.db2.gz KWTIFCOQSLWSDE-GXSJLCMTSA-N -1 0 320.349 -0.136 20 0 DBADRM CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000629783743 380720892 /nfs/dbraw/zinc/72/08/92/380720892.db2.gz LMGTZNJHWCMPAI-NSHDSACASA-N -1 0 313.354 -0.563 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)CNC(=O)c2ncccc2O)C1 ZINC000455781225 380721249 /nfs/dbraw/zinc/72/12/49/380721249.db2.gz ITOOJXVHGMNXOQ-SECBINFHSA-N -1 0 307.306 -0.160 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)CNC(=O)c2ncccc2O)C1 ZINC000455781226 380721362 /nfs/dbraw/zinc/72/13/62/380721362.db2.gz ITOOJXVHGMNXOQ-VIFPVBQESA-N -1 0 307.306 -0.160 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)C1 ZINC000629784368 380722465 /nfs/dbraw/zinc/72/24/65/380722465.db2.gz SOPVLDXGFOZYGL-IRCOFANPSA-N -1 0 310.350 -0.319 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)CN2CC(=O)N(C)C2=O)s[n-]1 ZINC000629990365 380813282 /nfs/dbraw/zinc/81/32/82/380813282.db2.gz RJPYKNXIDRJGFN-LURJTMIESA-N -1 0 313.339 -0.500 20 0 DBADRM COC(=O)[C@H](C)CN(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000068082946 380855261 /nfs/dbraw/zinc/85/52/61/380855261.db2.gz FATKUFKIPSKUBZ-SSDOTTSWSA-N -1 0 320.305 -0.095 20 0 DBADRM OC[C@@]1(CN=c2nc(C3CCOCC3)[n-]s2)COCCN1 ZINC000641690095 380965341 /nfs/dbraw/zinc/96/53/41/380965341.db2.gz UPLZNENWOYBIRB-ZDUSSCGKSA-N -1 0 314.411 -0.383 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCCOCCO)c1 ZINC000613361536 381063460 /nfs/dbraw/zinc/06/34/60/381063460.db2.gz AVOOIUVPGFPRGP-UHFFFAOYSA-N -1 0 318.351 -0.832 20 0 DBADRM CCN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)[C@H]1CCS(=O)(=O)C1 ZINC000230114947 381101481 /nfs/dbraw/zinc/10/14/81/381101481.db2.gz NPRIFQXFKDKFLD-LPEHRKFASA-N -1 0 305.352 -0.346 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCOCC(N)=O ZINC000230956481 381103784 /nfs/dbraw/zinc/10/37/84/381103784.db2.gz FLBGRBQUJGAADC-UHFFFAOYSA-N -1 0 306.296 -0.934 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CCN(C)C2=O)cc1C(=O)[O-] ZINC000230953046 381103986 /nfs/dbraw/zinc/10/39/86/381103986.db2.gz HHRBHQHIHILKDX-QMMMGPOBSA-N -1 0 301.324 -0.768 20 0 DBADRM COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@@H]1CNC(=O)C1 ZINC000232228072 381105404 /nfs/dbraw/zinc/10/54/04/381105404.db2.gz JQJIZCUJROZFSX-QMMMGPOBSA-N -1 0 316.310 -0.221 20 0 DBADRM C[C@H](O)C[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613419073 381076112 /nfs/dbraw/zinc/07/61/12/381076112.db2.gz NTKUEOHPJDQOOH-YUMQZZPRSA-N -1 0 302.352 -0.071 20 0 DBADRM O=C([O-])c1cccnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000613532633 381138233 /nfs/dbraw/zinc/13/82/33/381138233.db2.gz ASPDBXMYGHKELD-UHFFFAOYSA-N -1 0 318.333 -0.293 20 0 DBADRM NC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000315735907 381143521 /nfs/dbraw/zinc/14/35/21/381143521.db2.gz FRSGDHCIMDEMIT-UHFFFAOYSA-N -1 0 324.318 -0.133 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCC(F)(F)CO)c1 ZINC000613570388 381149249 /nfs/dbraw/zinc/14/92/49/381149249.db2.gz LFTJWCOPCROQAB-UHFFFAOYSA-N -1 0 310.278 -0.603 20 0 DBADRM C[C@@H](CN(C)C(=O)Cc1nnn(C(C)(C)C)n1)c1nnn[n-]1 ZINC000613476124 381130976 /nfs/dbraw/zinc/13/09/76/381130976.db2.gz UHEQWMGDIVKNTL-QMMMGPOBSA-N -1 0 307.362 -0.254 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)on1 ZINC000613865438 381200706 /nfs/dbraw/zinc/20/07/06/381200706.db2.gz VIRKRNUXGLSMHE-SSDOTTSWSA-N -1 0 306.282 -0.006 20 0 DBADRM CN1C[C@@H](C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)NC1=O ZINC000613875650 381203492 /nfs/dbraw/zinc/20/34/92/381203492.db2.gz VDAAOJTYKJQEPX-VIFPVBQESA-N -1 0 303.282 -0.670 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614502371 381264047 /nfs/dbraw/zinc/26/40/47/381264047.db2.gz KGPLIDJFVOFBLD-VIFPVBQESA-N -1 0 323.353 -0.984 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCC(C)(C)CC(=O)[O-] ZINC000614352538 381246458 /nfs/dbraw/zinc/24/64/58/381246458.db2.gz LLKBLNVTRVTPPP-UHFFFAOYSA-N -1 0 310.372 -0.183 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530148541 381293821 /nfs/dbraw/zinc/29/38/21/381293821.db2.gz GPBVIIWTGZUEFN-SFYZADRCSA-N -1 0 303.340 -0.084 20 0 DBADRM CCn1nncc1CNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000530149047 381293871 /nfs/dbraw/zinc/29/38/71/381293871.db2.gz MALAKYWOKOLUQJ-SECBINFHSA-N -1 0 317.371 -0.571 20 0 DBADRM CCn1nccc1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530149287 381294007 /nfs/dbraw/zinc/29/40/07/381294007.db2.gz FBXFKKHVKNLIDY-BDAKNGLRSA-N -1 0 303.340 -0.234 20 0 DBADRM CCn1nncc1CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000530148426 381294014 /nfs/dbraw/zinc/29/40/14/381294014.db2.gz GHDFRDPXWNWRJE-UHFFFAOYSA-N -1 0 311.323 -0.130 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000530148424 381294057 /nfs/dbraw/zinc/29/40/57/381294057.db2.gz GDNOGKZMGQVWLS-SFGNSQDASA-N -1 0 315.351 -0.036 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CC[C@@](OC)(C(=O)[O-])C1)C1CC1 ZINC000530151284 381294095 /nfs/dbraw/zinc/29/40/95/381294095.db2.gz IUEBYLQDTXFISD-JQWIXIFHSA-N -1 0 307.368 -0.083 20 0 DBADRM CCn1ncc(CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC000530152550 381294347 /nfs/dbraw/zinc/29/43/47/381294347.db2.gz RFHYRFUHQMQYHQ-UHFFFAOYSA-N -1 0 311.323 -0.130 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000530152013 381294536 /nfs/dbraw/zinc/29/45/36/381294536.db2.gz VJMZFLJSEXMBAC-LLVKDONJSA-N -1 0 303.340 -0.407 20 0 DBADRM CC1(C)OC[C@H]2C[C@]21NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000530154099 381296149 /nfs/dbraw/zinc/29/61/49/381296149.db2.gz SAGISVPWQOQZID-PELKAZGASA-N -1 0 315.351 -0.187 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@]2(O)CCOC2)ccc1[O-] ZINC000614562563 381278495 /nfs/dbraw/zinc/27/84/95/381278495.db2.gz SFZITRPRWCDXQE-GFCCVEGCSA-N -1 0 316.335 -0.610 20 0 DBADRM CCN(C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1)[C@H]1CCS(=O)(=O)C1 ZINC000630106570 381322378 /nfs/dbraw/zinc/32/23/78/381322378.db2.gz FYCLVRKVTKSGCS-NAKRPEOUSA-N -1 0 319.379 -0.100 20 0 DBADRM CCNC(=O)N1CCN(C(=O)c2cc(C(=O)[O-])nn2C)CC1 ZINC000630105445 381322491 /nfs/dbraw/zinc/32/24/91/381322491.db2.gz URSXZDKTHHUPGJ-UHFFFAOYSA-N -1 0 309.326 -0.394 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC000630119254 381324556 /nfs/dbraw/zinc/32/45/56/381324556.db2.gz SONAFTTWUSDCSK-QMMMGPOBSA-N -1 0 303.340 -0.479 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1 ZINC000630118079 381324832 /nfs/dbraw/zinc/32/48/32/381324832.db2.gz BVYATUFTAJSHBN-XKNYDFJKSA-N -1 0 307.368 -0.244 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)O[C@H]1C(=O)[O-] ZINC000630119977 381326644 /nfs/dbraw/zinc/32/66/44/381326644.db2.gz PANHVHXIVPWGOQ-ZYUZMQFOSA-N -1 0 320.367 -0.985 20 0 DBADRM O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1nc(=O)[nH][n-]1 ZINC000126365297 381329550 /nfs/dbraw/zinc/32/95/50/381329550.db2.gz QPBZUDJOBYVGRL-LBPRGKRZSA-N -1 0 317.349 -0.271 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)[C@H]1CCC[C@H]1C(=O)OC)[C@H](C)O ZINC000530379962 381307657 /nfs/dbraw/zinc/30/76/57/381307657.db2.gz YBXHFYLZYGCPIB-JXUBOQSCSA-N -1 0 323.367 -0.830 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCn2ccnc2)CC[C@@H]1C(=O)[O-] ZINC000627260006 381318431 /nfs/dbraw/zinc/31/84/31/381318431.db2.gz CPJIGXKFHIUMEZ-MNOVXSKESA-N -1 0 308.338 -0.432 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000627265799 381348842 /nfs/dbraw/zinc/34/88/42/381348842.db2.gz NZZAGZBUUSZYTR-UTUOFQBUSA-N -1 0 322.365 -0.043 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)Cc1ccnn1C ZINC000630156398 381351956 /nfs/dbraw/zinc/35/19/56/381351956.db2.gz MMWUOIBCAUJYTA-LLVKDONJSA-N -1 0 322.365 -0.256 20 0 DBADRM Cn1nccc1COCC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000630164651 381352538 /nfs/dbraw/zinc/35/25/38/381352538.db2.gz YZGHIFXLONCPDK-GWCFXTLKSA-N -1 0 311.338 -0.067 20 0 DBADRM COC[C@@H](NC(=O)c1cc(S(C)(=O)=O)c(C)o1)C(=O)[O-] ZINC000630176215 381354333 /nfs/dbraw/zinc/35/43/33/381354333.db2.gz TXJGLLKSMUTNNP-SSDOTTSWSA-N -1 0 305.308 -0.179 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC000630194896 381360489 /nfs/dbraw/zinc/36/04/89/381360489.db2.gz XYOFSVFJAZYFQT-LPEHRKFASA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccnc3c2nnn3C)C[C@H](C(=O)[O-])O1 ZINC000630199569 381362735 /nfs/dbraw/zinc/36/27/35/381362735.db2.gz JXIKMCMPQBEAFP-VXNVDRBHSA-N -1 0 305.294 -0.323 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC000630218532 381364784 /nfs/dbraw/zinc/36/47/84/381364784.db2.gz FRTGHXBMEMJXII-WDEREUQCSA-N -1 0 302.396 -0.017 20 0 DBADRM Cn1nccc1COCC(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000630217218 381364845 /nfs/dbraw/zinc/36/48/45/381364845.db2.gz YFUGPZIXWGBNHP-ZDUSSCGKSA-N -1 0 311.338 -0.067 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC000630213495 381365000 /nfs/dbraw/zinc/36/50/00/381365000.db2.gz XYOFSVFJAZYFQT-GUBZILKMSA-N -1 0 304.368 -0.363 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC000630227301 381366300 /nfs/dbraw/zinc/36/63/00/381366300.db2.gz KUPXGCPUHDPJON-SNVBAGLBSA-N -1 0 318.395 -0.429 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CCN(c3nccnn3)CC2)n1 ZINC000630230090 381367098 /nfs/dbraw/zinc/36/70/98/381367098.db2.gz CZPHVUDTOMOIOT-UHFFFAOYSA-N -1 0 314.305 -0.073 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCN(c3nccnn3)CC2)c1 ZINC000630230717 381368733 /nfs/dbraw/zinc/36/87/33/381368733.db2.gz NMNSHUVHCFUCDD-UHFFFAOYSA-N -1 0 317.309 -0.885 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN(c3nccnn3)CC2)cn1 ZINC000630231244 381369130 /nfs/dbraw/zinc/36/91/30/381369130.db2.gz VUBXIVFXCOUZBM-UHFFFAOYSA-N -1 0 314.305 -0.073 20 0 DBADRM COc1n[nH]c(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)n1 ZINC000540914604 381372776 /nfs/dbraw/zinc/37/27/76/381372776.db2.gz UZDWDLGPTNNOBU-UHFFFAOYSA-N -1 0 311.323 -0.358 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000630253189 381375550 /nfs/dbraw/zinc/37/55/50/381375550.db2.gz CJSQQCRVQLBLMU-GFCCVEGCSA-N -1 0 307.368 -0.098 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000630250109 381375586 /nfs/dbraw/zinc/37/55/86/381375586.db2.gz QVDGDSYAZFOORM-CABZTGNLSA-N -1 0 320.367 -0.888 20 0 DBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCOCC(=O)[O-] ZINC000630262791 381376606 /nfs/dbraw/zinc/37/66/06/381376606.db2.gz QVVBUADMNHPTTN-UHFFFAOYSA-N -1 0 309.278 -0.334 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC000630254234 381376745 /nfs/dbraw/zinc/37/67/45/381376745.db2.gz ORGZBKHVUNXEPC-BXKDBHETSA-N -1 0 305.352 -0.344 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C2(S(C)(=O)=O)CCC2)C1 ZINC000630256705 381376968 /nfs/dbraw/zinc/37/69/68/381376968.db2.gz WICJVKZHGAZVJA-NSHDSACASA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)[C@H]1CCCS1(=O)=O ZINC000630268541 381376984 /nfs/dbraw/zinc/37/69/84/381376984.db2.gz APYVVQBOPZOMAY-GARJFASQSA-N -1 0 319.379 -0.050 20 0 DBADRM O=C([O-])COCCNC(=O)Cn1nnc2ccccc2c1=O ZINC000630262191 381377397 /nfs/dbraw/zinc/37/73/97/381377397.db2.gz JHKIQJNEZGGBNX-UHFFFAOYSA-N -1 0 306.278 -0.991 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCCOCC(=O)[O-])cc1 ZINC000630262403 381377498 /nfs/dbraw/zinc/37/74/98/381377498.db2.gz LMPKEYCXMHMZSN-UHFFFAOYSA-N -1 0 316.335 -0.574 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CC(=O)NCC(F)(F)F)C1 ZINC000630254305 381377509 /nfs/dbraw/zinc/37/75/09/381377509.db2.gz QCQOCVMKFSIIDX-SNVBAGLBSA-N -1 0 312.244 -0.243 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C2(S(C)(=O)=O)CCC2)C1 ZINC000630256704 381377753 /nfs/dbraw/zinc/37/77/53/381377753.db2.gz WICJVKZHGAZVJA-LLVKDONJSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000630441401 381417003 /nfs/dbraw/zinc/41/70/03/381417003.db2.gz LQADGBDVYLBNKT-NXEZZACHSA-N -1 0 302.352 -0.372 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CC1=O ZINC000630442580 381417528 /nfs/dbraw/zinc/41/75/28/381417528.db2.gz FSRMVRQHSXNRII-UWVGGRQHSA-N -1 0 304.368 -0.124 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1=O ZINC000630443271 381417260 /nfs/dbraw/zinc/41/72/60/381417260.db2.gz UAQVFTWRAYDJTB-VHSXEESVSA-N -1 0 304.368 -0.266 20 0 DBADRM COCCN(CCOC)C(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCO1 ZINC000630421822 381409667 /nfs/dbraw/zinc/40/96/67/381409667.db2.gz IJQCUPNMVKIAGK-WDEREUQCSA-N -1 0 304.343 -0.077 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1=O ZINC000630444181 381417451 /nfs/dbraw/zinc/41/74/51/381417451.db2.gz CBVMFAMFNXFAEX-HBNTYKKESA-N -1 0 318.395 -0.020 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H](C(=O)NCCCN2CCCS2(=O)=O)O1 ZINC000630304982 381383233 /nfs/dbraw/zinc/38/32/33/381383233.db2.gz DFBUTIURXZWSAU-UWVGGRQHSA-N -1 0 320.367 -0.840 20 0 DBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000630302119 381383349 /nfs/dbraw/zinc/38/33/49/381383349.db2.gz AGEBIYPCPBRQEU-NXEZZACHSA-N -1 0 319.383 -0.952 20 0 DBADRM C[C@@H](CN(C)C(=O)CCC(=O)N1CCOCC1)c1nnn[n-]1 ZINC000541840545 381386218 /nfs/dbraw/zinc/38/62/18/381386218.db2.gz LPNVWRVSZCSENL-JTQLQIEISA-N -1 0 310.358 -0.599 20 0 DBADRM CO[C@@H]1CN(C(=O)c2ccn3nnnc3c2)[C@@](C)(C(=O)[O-])C1 ZINC000630314643 381387624 /nfs/dbraw/zinc/38/76/24/381387624.db2.gz CKXXHOQOJSDWFT-TVQRCGJNSA-N -1 0 305.294 -0.172 20 0 DBADRM CO[C@@H]1CN(C(=O)c2ccn3nnnc3c2)[C@](C)(C(=O)[O-])C1 ZINC000630314648 381388084 /nfs/dbraw/zinc/38/80/84/381388084.db2.gz CKXXHOQOJSDWFT-ZANVPECISA-N -1 0 305.294 -0.172 20 0 DBADRM Cc1cc(CNC(=O)CN(C)S(C)(=O)=O)oc1C(=O)[O-] ZINC000630328603 381390030 /nfs/dbraw/zinc/39/00/30/381390030.db2.gz INSRXMYMJUZQHB-UHFFFAOYSA-N -1 0 304.324 -0.206 20 0 DBADRM Cc1cc(CNC(=O)[C@H]2CCS(=O)(=O)N2)oc1C(=O)[O-] ZINC000630330984 381390040 /nfs/dbraw/zinc/39/00/40/381390040.db2.gz PRVCZNCVSWQERZ-MRVPVSSYSA-N -1 0 302.308 -0.406 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)[C@@H]2CCCCS2(=O)=O)CCCOC1 ZINC000630337181 381390118 /nfs/dbraw/zinc/39/01/18/381390118.db2.gz JLDOWTHGKZOXJC-GXFFZTMASA-N -1 0 319.379 -0.049 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CC1=O ZINC000630442583 381416358 /nfs/dbraw/zinc/41/63/58/381416358.db2.gz FSRMVRQHSXNRII-ZJUUUORDSA-N -1 0 304.368 -0.124 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CC1=O ZINC000630442579 381416522 /nfs/dbraw/zinc/41/65/22/381416522.db2.gz FSRMVRQHSXNRII-NXEZZACHSA-N -1 0 304.368 -0.124 20 0 DBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000630443531 381416544 /nfs/dbraw/zinc/41/65/44/381416544.db2.gz YSNSZTJNJNYNFQ-GXSJLCMTSA-N -1 0 316.379 -0.124 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])CC1=O ZINC000630445620 381419951 /nfs/dbraw/zinc/41/99/51/381419951.db2.gz JYLDQPVAEHAVLE-AEJSXWLSSA-N -1 0 304.368 -0.126 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1=O ZINC000630447102 381420055 /nfs/dbraw/zinc/42/00/55/381420055.db2.gz OLUDKQPIFRJFIK-MXWKQRLJSA-N -1 0 318.395 -0.020 20 0 DBADRM COCC[C@@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC000547558767 381485091 /nfs/dbraw/zinc/48/50/91/381485091.db2.gz LYSSFGLPLVWHJJ-SECBINFHSA-N -1 0 310.372 -0.579 20 0 DBADRM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cncnc2)cc1 ZINC000547337645 381476143 /nfs/dbraw/zinc/47/61/43/381476143.db2.gz WSKNCGVVJPYLIA-UHFFFAOYSA-N -1 0 314.348 -0.075 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC000547438373 381477217 /nfs/dbraw/zinc/47/72/17/381477217.db2.gz QAUYMNCEQVSSQP-BMIGLBTASA-N -1 0 306.318 -0.009 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)NC[C@@H](C)C(=O)[O-])cn1 ZINC000547541818 381482510 /nfs/dbraw/zinc/48/25/10/381482510.db2.gz SRLMJGMDRSNJHK-SSDOTTSWSA-N -1 0 305.312 -0.945 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)C(=O)[O-])cn1 ZINC000547544960 381485472 /nfs/dbraw/zinc/48/54/72/381485472.db2.gz HVTBUDBBTKXTML-SSDOTTSWSA-N -1 0 302.308 -0.133 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)ncn2C)C(=O)[O-] ZINC000547548424 381484744 /nfs/dbraw/zinc/48/47/44/381484744.db2.gz IODOJSOQMMGVCK-HQJQHLMTSA-N -1 0 313.335 -0.314 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)N2CCCCC2)C(=O)[O-])c1 ZINC000547554098 381484846 /nfs/dbraw/zinc/48/48/46/381484846.db2.gz WXUZVNXVKUIETD-LLVKDONJSA-N -1 0 316.383 -0.035 20 0 DBADRM CC(C)OCCS(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000547928930 381503715 /nfs/dbraw/zinc/50/37/15/381503715.db2.gz HSWHBILMFKOFLP-NIVTXAMTSA-N -1 0 313.397 -0.741 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000547929330 381504347 /nfs/dbraw/zinc/50/43/47/381504347.db2.gz YZONOOARMTVKHV-SECBINFHSA-N -1 0 316.379 -0.124 20 0 DBADRM COC(=O)CCCS(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC000547911592 381504399 /nfs/dbraw/zinc/50/43/99/381504399.db2.gz WESBGWWPVYMAGA-VIFPVBQESA-N -1 0 311.356 -0.573 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N(CCOC)[C@@H](C)C(=O)[O-] ZINC000547916196 381504846 /nfs/dbraw/zinc/50/48/46/381504846.db2.gz RWEIXOSRRUIFDV-VIFPVBQESA-N -1 0 311.356 -0.309 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)ncn1 ZINC000627272076 381515702 /nfs/dbraw/zinc/51/57/02/381515702.db2.gz HMKYAWGKDLTEDS-JOYOIKCWSA-N -1 0 320.349 -0.030 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000548199850 381517280 /nfs/dbraw/zinc/51/72/80/381517280.db2.gz MRXQTLOSTDZJOX-GMTAPVOTSA-N -1 0 306.384 -0.222 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000548199849 381518377 /nfs/dbraw/zinc/51/83/77/381518377.db2.gz MRXQTLOSTDZJOX-GARJFASQSA-N -1 0 306.384 -0.222 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000547583747 381486585 /nfs/dbraw/zinc/48/65/85/381486585.db2.gz JBJOXOZYBWUHSD-ZYHUDNBSSA-N -1 0 313.331 -0.075 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)CC2CCC2)C1 ZINC000547577486 381486711 /nfs/dbraw/zinc/48/67/11/381486711.db2.gz JNHZUYXTPYRBJJ-SNVBAGLBSA-N -1 0 304.368 -0.361 20 0 DBADRM CCc1ncc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])s1 ZINC000547591483 381486774 /nfs/dbraw/zinc/48/67/74/381486774.db2.gz PFTHIEZKPPMIOT-LURJTMIESA-N -1 0 321.380 -0.298 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)N1CCCCC1 ZINC000547595949 381486786 /nfs/dbraw/zinc/48/67/86/381486786.db2.gz AWNAXZKGKCNBOA-UWVGGRQHSA-N -1 0 319.383 -0.632 20 0 DBADRM Cn1cc(C[C@H](NS(=O)(=O)c2ccc(N)cc2)C(=O)[O-])cn1 ZINC000547613297 381488409 /nfs/dbraw/zinc/48/84/09/381488409.db2.gz SRMNBNMFVASHIO-LBPRGKRZSA-N -1 0 324.362 -0.024 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000548225891 381519644 /nfs/dbraw/zinc/51/96/44/381519644.db2.gz ZQCBBYBPWYMYEN-NSHDSACASA-N -1 0 316.383 -0.408 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000548210699 381519710 /nfs/dbraw/zinc/51/97/10/381519710.db2.gz YLNIKTMYKHLYMU-CBAPKCEASA-N -1 0 319.339 -0.726 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])nc1C ZINC000547702010 381492303 /nfs/dbraw/zinc/49/23/03/381492303.db2.gz RQQJPNBJDFXLPF-GFCCVEGCSA-N -1 0 319.383 -0.037 20 0 DBADRM CC1(C)CN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)CCO1 ZINC000547873818 381499846 /nfs/dbraw/zinc/49/98/46/381499846.db2.gz AENZECRXKFCZPW-ZJUUUORDSA-N -1 0 322.383 -0.579 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000547900490 381501928 /nfs/dbraw/zinc/50/19/28/381501928.db2.gz RJOQLMYXRQCXHO-AXFHLTTASA-N -1 0 306.384 -0.222 20 0 DBADRM CCc1ncc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])s1 ZINC000547879499 381502629 /nfs/dbraw/zinc/50/26/29/381502629.db2.gz PFTHIEZKPPMIOT-ZCFIWIBFSA-N -1 0 321.380 -0.298 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])oc1C ZINC000547898446 381502694 /nfs/dbraw/zinc/50/26/94/381502694.db2.gz FIVLSHYYXUNZFG-MRVPVSSYSA-N -1 0 321.307 -0.247 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N[C@@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000548551184 381537778 /nfs/dbraw/zinc/53/77/78/381537778.db2.gz ZOTNKVIAOFQIQV-MNOVXSKESA-N -1 0 319.383 -0.093 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)N(C)CC(C)C)C(=O)[O-] ZINC000548555945 381538053 /nfs/dbraw/zinc/53/80/53/381538053.db2.gz SEFQQZPJVGGLNK-SECBINFHSA-N -1 0 310.372 -0.185 20 0 DBADRM CC(C)OCCS(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000548551606 381538073 /nfs/dbraw/zinc/53/80/73/381538073.db2.gz QAWWEDQMTQNCAB-NSHDSACASA-N -1 0 319.383 -0.240 20 0 DBADRM COC[C@H](C)S(=O)(=O)N[C@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000548551188 381538153 /nfs/dbraw/zinc/53/81/53/381538153.db2.gz ZOTNKVIAOFQIQV-WDEREUQCSA-N -1 0 319.383 -0.093 20 0 DBADRM COCc1ccccc1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000548565784 381539096 /nfs/dbraw/zinc/53/90/96/381539096.db2.gz RCPPYCYXDWYDJP-UHFFFAOYSA-N -1 0 303.336 -0.099 20 0 DBADRM CCCN(CC1CC1)S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000548561835 381539669 /nfs/dbraw/zinc/53/96/69/381539669.db2.gz ZICLZMUMIMFHRE-GHMZBOCLSA-N -1 0 306.384 -0.127 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)C1 ZINC000548576851 381539779 /nfs/dbraw/zinc/53/97/79/381539779.db2.gz RFDOMUDWJXAGRF-KXUCPTDWSA-N -1 0 319.383 -0.777 20 0 DBADRM Cc1cc(CS(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])on1 ZINC000548685016 381545230 /nfs/dbraw/zinc/54/52/30/381545230.db2.gz PNWKESOZGRKOGX-NSHDSACASA-N -1 0 306.340 -0.124 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NC[C@](C)(CO)CC(=O)[O-] ZINC000548685600 381545435 /nfs/dbraw/zinc/54/54/35/381545435.db2.gz YRDPCASAPPWVGN-LDYMZIIASA-N -1 0 311.356 -0.812 20 0 DBADRM C[C@@](CO)(CNS(=O)(=O)CC1CCOCC1)CC(=O)[O-] ZINC000548684942 381545512 /nfs/dbraw/zinc/54/55/12/381545512.db2.gz INKLHBFKFAFCIT-LBPRGKRZSA-N -1 0 309.384 -0.194 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@](C)(O)Cn1ccccc1=O)c1nnn[n-]1 ZINC000548720312 381545707 /nfs/dbraw/zinc/54/57/07/381545707.db2.gz IRQPQOWYIXGMQI-IINYFYTJSA-N -1 0 320.353 -0.626 20 0 DBADRM CC(C)[C@H](C(=O)NCCCc1n[nH]c(=O)[n-]1)N1CCCC1=O ZINC000080975062 381552681 /nfs/dbraw/zinc/55/26/81/381552681.db2.gz KBZQLBQYOXGXTI-GFCCVEGCSA-N -1 0 309.370 -0.206 20 0 DBADRM COc1cncc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000548836479 381551258 /nfs/dbraw/zinc/55/12/58/381551258.db2.gz LSMSDHNTEMHCLD-NSHDSACASA-N -1 0 302.308 -0.388 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc2ncccc2c1)C(=O)[O-] ZINC000548531050 381535159 /nfs/dbraw/zinc/53/51/59/381535159.db2.gz OTIPAGCMDCIHAJ-NSHDSACASA-N -1 0 323.330 -0.158 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)C1 ZINC000548532809 381535301 /nfs/dbraw/zinc/53/53/01/381535301.db2.gz NPVRCFUKBZGZGX-WPRPVWTQSA-N -1 0 302.356 -0.278 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(=O)[O-] ZINC000548535365 381535668 /nfs/dbraw/zinc/53/56/68/381535668.db2.gz TVNWIDPAOWRIOL-IUCAKERBSA-N -1 0 309.340 -0.509 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)Cc1cccc(F)c1)C(=O)[O-] ZINC000548532911 381535942 /nfs/dbraw/zinc/53/59/42/381535942.db2.gz TXKABTXBASUUGY-VIFPVBQESA-N -1 0 304.299 -0.426 20 0 DBADRM CCc1ncc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])s1 ZINC000548529868 381536236 /nfs/dbraw/zinc/53/62/36/381536236.db2.gz JJKUTFIUMYEGAR-RXMQYKEDSA-N -1 0 307.353 -0.688 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCCC1)[C@@H]1CCc2nncn2C1 ZINC000550878313 381575827 /nfs/dbraw/zinc/57/58/27/381575827.db2.gz UZSIIOVNXYTCNJ-SECBINFHSA-N -1 0 302.342 -0.061 20 0 DBADRM CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@H]1CCNC1=O ZINC000551028809 381576719 /nfs/dbraw/zinc/57/67/19/381576719.db2.gz JAELFYWVALPBDV-JTQLQIEISA-N -1 0 308.363 -0.171 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)[C@@H]2CN3CCN2CCC3)s[n-]1 ZINC000549373080 381561731 /nfs/dbraw/zinc/56/17/31/381561731.db2.gz VHMAWXUFCUOVOW-UWVGGRQHSA-N -1 0 311.411 -0.004 20 0 DBADRM COC(=O)c1[nH]cnc1NC(=O)Cn1nc2ccccn2c1=O ZINC000550084461 381568243 /nfs/dbraw/zinc/56/82/43/381568243.db2.gz RYKXRLWATUAUMV-UHFFFAOYSA-N -1 0 316.277 -0.356 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000250656430 381605648 /nfs/dbraw/zinc/60/56/48/381605648.db2.gz BPPXUHRJZMDELM-VHSXEESVSA-N -1 0 322.383 -0.183 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](C)CC(=O)[O-] ZINC000252431666 381612722 /nfs/dbraw/zinc/61/27/22/381612722.db2.gz NOGAUBZYBPZROL-RKDXNWHRSA-N -1 0 308.356 -0.289 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)OC ZINC000627275652 381615604 /nfs/dbraw/zinc/61/56/04/381615604.db2.gz OGYRYXNJLBAXCV-GARJFASQSA-N -1 0 316.354 -0.667 20 0 DBADRM COC[C@@H]1CCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000615295956 381615758 /nfs/dbraw/zinc/61/57/58/381615758.db2.gz ZTDLQOMZWVSICK-QMMMGPOBSA-N -1 0 300.336 -0.100 20 0 DBADRM CN1CCC[C@H](NC(=O)C(=O)NCCCCCC(=O)[O-])C1=O ZINC000627276516 381619453 /nfs/dbraw/zinc/61/94/53/381619453.db2.gz HQQSLICWXKNORU-JTQLQIEISA-N -1 0 313.354 -0.515 20 0 DBADRM NC(=O)COc1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000262353500 381625922 /nfs/dbraw/zinc/62/59/22/381625922.db2.gz VLUFMGMUYCCFQR-CQSZACIVSA-N -1 0 308.290 -0.476 20 0 DBADRM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2nnc[nH]2)c1 ZINC000061844945 184189702 /nfs/dbraw/zinc/18/97/02/184189702.db2.gz HADCIFYDUXVELM-UHFFFAOYSA-N -1 0 303.325 -0.747 20 0 DBADRM CC1(CCS(=O)(=O)NCc2cn(CC(=O)[O-])nn2)CC1 ZINC000566183334 381640789 /nfs/dbraw/zinc/64/07/89/381640789.db2.gz WVOGEANEDYNOTQ-UHFFFAOYSA-N -1 0 302.356 -0.028 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCCn2ccnc2)C[C@@H]1C(=O)[O-] ZINC000566243272 381646545 /nfs/dbraw/zinc/64/65/45/381646545.db2.gz SGEQSMHPYWOURM-NEPJUHHUSA-N -1 0 322.365 -0.041 20 0 DBADRM NC(=O)[C@@]1(NS(=O)(=O)CCCC(F)(F)F)CCOC1 ZINC000566478071 381659770 /nfs/dbraw/zinc/65/97/70/381659770.db2.gz NMGKQFCYJNBBQJ-MRVPVSSYSA-N -1 0 304.290 -0.107 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cnc2n1CCC2 ZINC000566852887 381673913 /nfs/dbraw/zinc/67/39/13/381673913.db2.gz BYQHAHFANPNXKY-LBPRGKRZSA-N -1 0 317.367 -0.013 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000566807594 381671381 /nfs/dbraw/zinc/67/13/81/381671381.db2.gz RSMOJKWTRBXEOL-LLVKDONJSA-N -1 0 315.347 -0.471 20 0 DBADRM CNS(=O)(=O)c1ccc(C[NH2+]CCC(=O)NC(N)=O)s1 ZINC000567725618 381709417 /nfs/dbraw/zinc/70/94/17/381709417.db2.gz BTKTVLFFKSUAHE-UHFFFAOYSA-N -1 0 320.396 -0.669 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)NCCCC(=O)[O-])C2=O)cn1 ZINC000567807009 381713423 /nfs/dbraw/zinc/71/34/23/381713423.db2.gz RTDXSCXVWOFPHK-JTQLQIEISA-N -1 0 309.326 -0.311 20 0 DBADRM Cn1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC000566971518 381675216 /nfs/dbraw/zinc/67/52/16/381675216.db2.gz MWCYXZNRTDXSSV-MRVPVSSYSA-N -1 0 312.355 -0.188 20 0 DBADRM COCC1(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)CC1 ZINC000567167473 381684436 /nfs/dbraw/zinc/68/44/36/381684436.db2.gz WNOYPFRMJOUCKX-VIFPVBQESA-N -1 0 303.340 -0.356 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000567234648 381687670 /nfs/dbraw/zinc/68/76/70/381687670.db2.gz DCHNGNZRTBEFQH-VWYCJHECSA-N -1 0 315.370 -0.110 20 0 DBADRM O=c1[n-]c([C@@H]2CCCN(CCN3CCCS3(=O)=O)C2)n[nH]1 ZINC000567391353 381696184 /nfs/dbraw/zinc/69/61/84/381696184.db2.gz BIQUXKVTSWSBBH-SNVBAGLBSA-N -1 0 315.399 -0.275 20 0 DBADRM C[C@@H](C(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-])c1ccccn1 ZINC000567662523 381706406 /nfs/dbraw/zinc/70/64/06/381706406.db2.gz HPUGYWFLEOITIC-SCZZXKLOSA-N -1 0 317.305 -0.022 20 0 DBADRM C[C@@H](C(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-])c1ccccn1 ZINC000567662522 381706432 /nfs/dbraw/zinc/70/64/32/381706432.db2.gz HPUGYWFLEOITIC-PSASIEDQSA-N -1 0 317.305 -0.022 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000568001817 381729550 /nfs/dbraw/zinc/72/95/50/381729550.db2.gz IXZXHMLWOJHUNM-APPZFPTMSA-N -1 0 308.356 -0.795 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1)C(=O)[O-] ZINC000158584529 381747044 /nfs/dbraw/zinc/74/70/44/381747044.db2.gz PBKCEGYSGAFYRE-SNVBAGLBSA-N -1 0 317.319 -0.149 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000158601713 381747843 /nfs/dbraw/zinc/74/78/43/381747843.db2.gz BHCZIZIIIAUTQT-SECBINFHSA-N -1 0 302.308 -0.837 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC000568258441 381749338 /nfs/dbraw/zinc/74/93/38/381749338.db2.gz JHPYCVXPMJGNRF-GFCCVEGCSA-N -1 0 313.331 -0.071 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2nnnn2-c2ccccc2)O1 ZINC000568351116 381757442 /nfs/dbraw/zinc/75/74/42/381757442.db2.gz QYAZJMFSEJGYDV-QWRGUYRKSA-N -1 0 317.305 -0.089 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000567844671 381718479 /nfs/dbraw/zinc/71/84/79/381718479.db2.gz XVKSPIYNXFQFNP-JTQLQIEISA-N -1 0 314.363 -0.057 20 0 DBADRM CCCC[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000063142485 184273891 /nfs/dbraw/zinc/27/38/91/184273891.db2.gz JUFOQLXALZXDIR-QMMMGPOBSA-N -1 0 301.386 -0.406 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000567888105 381722114 /nfs/dbraw/zinc/72/21/14/381722114.db2.gz YSQZMRPOHIRPRC-UWVGGRQHSA-N -1 0 311.338 -0.763 20 0 DBADRM CCn1ncnc1CNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000567887864 381722237 /nfs/dbraw/zinc/72/22/37/381722237.db2.gz TWBYIMDYFDCLKM-VHSXEESVSA-N -1 0 323.353 -0.517 20 0 DBADRM O=C([O-])C(=O)N1CCN(Cc2ncnn2-c2ccccc2)CC1 ZINC000569131046 381790484 /nfs/dbraw/zinc/79/04/84/381790484.db2.gz VOSTYVCZVHOLKX-UHFFFAOYSA-N -1 0 315.333 -0.004 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)NCCSCC(=O)[O-] ZINC000569275917 381794005 /nfs/dbraw/zinc/79/40/05/381794005.db2.gz XMJWQSDXZYXMSA-UHFFFAOYSA-N -1 0 313.397 -0.077 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CCc1scnc1C)[C@H](C)O ZINC000569238056 381794015 /nfs/dbraw/zinc/79/40/15/381794015.db2.gz ONNAZGPBAWYPQQ-WPRPVWTQSA-N -1 0 322.408 -0.164 20 0 DBADRM C=C(C)COCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000163484361 381795588 /nfs/dbraw/zinc/79/55/88/381795588.db2.gz BELPCEBECXECCW-UHFFFAOYSA-N -1 0 303.340 -0.161 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000568617923 381766730 /nfs/dbraw/zinc/76/67/30/381766730.db2.gz AGMGEDSTITWVMI-MNOVXSKESA-N -1 0 310.350 -0.053 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000568628771 381768772 /nfs/dbraw/zinc/76/87/72/381768772.db2.gz ZMURBJWWWRRLKQ-ZJUUUORDSA-N -1 0 306.384 -0.117 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)C2(C(=O)[O-])CCC2)C1 ZINC000568868940 381776295 /nfs/dbraw/zinc/77/62/95/381776295.db2.gz CNJJSKRCQVYYGA-SECBINFHSA-N -1 0 304.368 -0.361 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)CCC1CCOCC1)C(=O)[O-] ZINC000568829285 381777413 /nfs/dbraw/zinc/77/74/13/381777413.db2.gz YKCGBZRHRLBRAZ-JTQLQIEISA-N -1 0 323.367 -0.261 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCC1(C(=O)[O-])CC1 ZINC000166997110 381821004 /nfs/dbraw/zinc/82/10/04/381821004.db2.gz UFTNZXPUYDJTMZ-SECBINFHSA-N -1 0 320.367 -0.287 20 0 DBADRM O=C([O-])Cn1cc(CNS(=O)(=O)c2ccccc2F)nn1 ZINC000167257534 381821548 /nfs/dbraw/zinc/82/15/48/381821548.db2.gz MLZLCHKNXHCKPX-UHFFFAOYSA-N -1 0 314.298 -0.020 20 0 DBADRM O=C([O-])Cn1cc(CNS(=O)(=O)N2CCCCCC2)nn1 ZINC000167258307 381821873 /nfs/dbraw/zinc/82/18/73/381821873.db2.gz WYHUUSVZACOVSV-UHFFFAOYSA-N -1 0 317.371 -0.427 20 0 DBADRM CCCCN(C)S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000167255836 381822797 /nfs/dbraw/zinc/82/27/97/381822797.db2.gz SDRYVRUXCSEOSO-UHFFFAOYSA-N -1 0 305.360 -0.571 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)cn1 ZINC000573400145 381826984 /nfs/dbraw/zinc/82/69/84/381826984.db2.gz HHYJNECVBRJWFB-ZYHUDNBSSA-N -1 0 315.351 -0.468 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000573686654 381837319 /nfs/dbraw/zinc/83/73/19/381837319.db2.gz QGZBRXYZOLOJCY-GHMZBOCLSA-N -1 0 309.370 -0.063 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)C2(CC(=O)[O-])CCC2)C1 ZINC000573806964 381840702 /nfs/dbraw/zinc/84/07/02/381840702.db2.gz UTKWOAOBASQSJK-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM COCC(=O)N(C)CC(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000573003073 381809393 /nfs/dbraw/zinc/80/93/93/381809393.db2.gz BAETVYWXMMNAGQ-UHFFFAOYSA-N -1 0 311.342 -0.679 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)C[C@@H]2CCCO2)CCOCC1 ZINC000165950702 381812888 /nfs/dbraw/zinc/81/28/88/381812888.db2.gz NMXGRVPKLNIFHS-JTQLQIEISA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])Cn1cc(CNS(=O)(=O)Cc2ccccc2)nn1 ZINC000167251139 381819522 /nfs/dbraw/zinc/81/95/22/381819522.db2.gz ZLUHVNXXZMNDON-UHFFFAOYSA-N -1 0 310.335 -0.018 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCOCC3(CC3)C2)C[C@H]1C(=O)[O-] ZINC000574031751 381847776 /nfs/dbraw/zinc/84/77/76/381847776.db2.gz VSMVHRQDUZKPOJ-GHMZBOCLSA-N -1 0 310.350 -0.196 20 0 DBADRM CC1CCN(S(=O)(=O)NCCC(=O)NCC(=O)[O-])CC1 ZINC000574146622 381852327 /nfs/dbraw/zinc/85/23/27/381852327.db2.gz RRMGZWILHLHCJM-UHFFFAOYSA-N -1 0 307.372 -0.856 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)n1 ZINC000574154674 381853779 /nfs/dbraw/zinc/85/37/79/381853779.db2.gz LOYKMOWWKDOFEV-SCZZXKLOSA-N -1 0 303.340 -0.422 20 0 DBADRM C[C@@H]1CCN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C(=O)[O-] ZINC000574154442 381854626 /nfs/dbraw/zinc/85/46/26/381854626.db2.gz FLAHRXZHJVZKNM-YTWAJWBKSA-N -1 0 313.354 -0.229 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)N1CCCCC1)C(=O)[O-] ZINC000168811890 381856428 /nfs/dbraw/zinc/85/64/28/381856428.db2.gz JPSNJYLUUBIDDQ-SECBINFHSA-N -1 0 308.356 -0.287 20 0 DBADRM COCCCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000574444842 381864649 /nfs/dbraw/zinc/86/46/49/381864649.db2.gz DVXLYXZGAITRED-SNVBAGLBSA-N -1 0 305.356 -0.108 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)N2CC(S(C)(=O)=O)C2)s[n-]1 ZINC000574457004 381864961 /nfs/dbraw/zinc/86/49/61/381864961.db2.gz LIDIRIHRXZKFFZ-LURJTMIESA-N -1 0 320.396 -0.072 20 0 DBADRM COCCn1cc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000574589517 381872075 /nfs/dbraw/zinc/87/20/75/381872075.db2.gz ZMQWPZLZQXVMNH-SNVBAGLBSA-N -1 0 319.339 -0.996 20 0 DBADRM CCOC(=O)C1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC000574638579 381872196 /nfs/dbraw/zinc/87/21/96/381872196.db2.gz YHRCLPWCOIYVEH-UHFFFAOYSA-N -1 0 314.338 -0.231 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)c[nH]1 ZINC000575962772 381907238 /nfs/dbraw/zinc/90/72/38/381907238.db2.gz WIECFUQSEMDFRB-MADCSZMMSA-N -1 0 314.319 -0.104 20 0 DBADRM CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)c1n[nH]c(=O)[n-]1 ZINC000576213085 381916395 /nfs/dbraw/zinc/91/63/95/381916395.db2.gz RLNDIDLQBYXELN-SECBINFHSA-N -1 0 305.294 -0.191 20 0 DBADRM COc1ccccc1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000576187657 381916408 /nfs/dbraw/zinc/91/64/08/381916408.db2.gz FRRLKLKOWBBRMI-UHFFFAOYSA-N -1 0 316.335 -0.436 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2CCOCC2)CCO1 ZINC000576276536 381917921 /nfs/dbraw/zinc/91/79/21/381917921.db2.gz PZYSXTCMWLVCIW-NSHDSACASA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)CCC1CCC1 ZINC000576402605 381922200 /nfs/dbraw/zinc/92/22/00/381922200.db2.gz ILTZCWVWWMIIBN-GFCCVEGCSA-N -1 0 320.411 -0.119 20 0 DBADRM C[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C[C@@H]1C(=O)[O-] ZINC000576466565 381924477 /nfs/dbraw/zinc/92/44/77/381924477.db2.gz STWRKVSNAWFXLS-ZJUUUORDSA-N -1 0 306.384 -0.163 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CCC[C@]1(C)CO)C(=O)[O-] ZINC000576576679 381926990 /nfs/dbraw/zinc/92/69/90/381926990.db2.gz KZIZDCUXCQLXND-CQSZACIVSA-N -1 0 300.355 -0.023 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000575312637 381890889 /nfs/dbraw/zinc/89/08/89/381890889.db2.gz ZIVWQHMLCUJDPZ-SCZZXKLOSA-N -1 0 324.337 -0.394 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000575398410 381892616 /nfs/dbraw/zinc/89/26/16/381892616.db2.gz LNTOTRIVWKIHSQ-LURJTMIESA-N -1 0 311.337 -0.311 20 0 DBADRM Cc1c(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])cnn1C ZINC000577212792 381955046 /nfs/dbraw/zinc/95/50/46/381955046.db2.gz CRKKZTHZZYZOTE-QMMMGPOBSA-N -1 0 305.356 -0.425 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)CCOC(F)(F)F)C(=O)[O-] ZINC000577346110 381958733 /nfs/dbraw/zinc/95/87/33/381958733.db2.gz JQXXMYYPFILCQZ-RXMQYKEDSA-N -1 0 323.245 -0.542 20 0 DBADRM CSc1cccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000577297439 381959021 /nfs/dbraw/zinc/95/90/21/381959021.db2.gz FTOGJPWHKNWUGM-UHFFFAOYSA-N -1 0 318.376 -0.112 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](N=c2[n-]c(C3CCOCC3)no2)C1 ZINC000577498332 381963764 /nfs/dbraw/zinc/96/37/64/381963764.db2.gz SXWBMDCPJYKLDM-SNVBAGLBSA-N -1 0 316.383 -0.169 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@]2(C)CO)C1 ZINC000577620116 381967237 /nfs/dbraw/zinc/96/72/37/381967237.db2.gz DRXGHFYYCJNWDC-ZETOZRRWSA-N -1 0 312.366 -0.071 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C(=O)[O-] ZINC000576823524 381936333 /nfs/dbraw/zinc/93/63/33/381936333.db2.gz MJNXYHXEFUHJJS-ATZCPNFKSA-N -1 0 323.367 -0.168 20 0 DBADRM Cn1c(=O)c2cc(NC(=O)CCC(=O)[O-])cnc2n(C)c1=O ZINC000576825318 381936398 /nfs/dbraw/zinc/93/63/98/381936398.db2.gz FXVGXYBXEJWTRJ-UHFFFAOYSA-N -1 0 306.278 -0.565 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000577062949 381946226 /nfs/dbraw/zinc/94/62/26/381946226.db2.gz UNECIZSURRTVMI-GHMZBOCLSA-N -1 0 316.354 -0.665 20 0 DBADRM CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)NCCCC(=O)[O-] ZINC000580646730 381949314 /nfs/dbraw/zinc/94/93/14/381949314.db2.gz KTXOIPASMFRNGN-LURJTMIESA-N -1 0 300.233 -0.651 20 0 DBADRM O=C(CN1CCCNC1=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000580650498 381949564 /nfs/dbraw/zinc/94/95/64/381949564.db2.gz SNDWXJGYRAKAOO-UHFFFAOYSA-N -1 0 308.342 -0.368 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CCO1 ZINC000578129752 381995938 /nfs/dbraw/zinc/99/59/38/381995938.db2.gz ABOXARPQBNPMNT-WDEREUQCSA-N -1 0 322.383 -0.625 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C(=O)[O-])c[nH]1 ZINC000578132820 381998733 /nfs/dbraw/zinc/99/87/33/381998733.db2.gz ZCBRKKFRKLMOEL-NYNCVSEMSA-N -1 0 303.340 -0.031 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)O1 ZINC000577850049 381975853 /nfs/dbraw/zinc/97/58/53/381975853.db2.gz UWOFODZGGWQQDA-NGJRWZKOSA-N -1 0 324.255 -0.259 20 0 DBADRM CS(=O)(=O)CC1(CN2CCN(C(=O)C(=O)[O-])CC2)CC1 ZINC000577875979 381976901 /nfs/dbraw/zinc/97/69/01/381976901.db2.gz IGQSLKRWHVWAHF-UHFFFAOYSA-N -1 0 304.368 -0.960 20 0 DBADRM CC[C@H]([N-]S(=O)(=O)CCCS(N)(=O)=O)C(F)(F)F ZINC000349448586 381988025 /nfs/dbraw/zinc/98/80/25/381988025.db2.gz JTIOHTKWJSOSEC-LURJTMIESA-N -1 0 312.335 -0.075 20 0 DBADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000579024982 382046861 /nfs/dbraw/zinc/04/68/61/382046861.db2.gz USUUFJMZKFKYRG-SECBINFHSA-N -1 0 305.356 -0.195 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000579474592 382069648 /nfs/dbraw/zinc/06/96/48/382069648.db2.gz FPQBUZNQOQTRFR-OPRDCNLKSA-N -1 0 306.384 -0.165 20 0 DBADRM C[C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C[C@@H]1C(=O)[O-] ZINC000579231341 382055354 /nfs/dbraw/zinc/05/53/54/382055354.db2.gz BCLPSXAGJWIZIP-ZJUUUORDSA-N -1 0 311.338 -0.112 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N(CC(=O)[O-])C2CCC2)C1 ZINC000579236059 382055701 /nfs/dbraw/zinc/05/57/01/382055701.db2.gz UHONRLNOIRAGKR-VIFPVBQESA-N -1 0 319.383 -0.331 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)nn1C ZINC000579473897 382069712 /nfs/dbraw/zinc/06/97/12/382069712.db2.gz RKMKXVOQIJRUGR-IUCAKERBSA-N -1 0 324.337 -0.064 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c(F)c1 ZINC000579304004 382060412 /nfs/dbraw/zinc/06/04/12/382060412.db2.gz QIBMZILWIDNVQX-QMMMGPOBSA-N -1 0 320.298 -0.559 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N(CCO)CCCO)c1 ZINC000579354248 382063124 /nfs/dbraw/zinc/06/31/24/382063124.db2.gz VDODIPHHHQTMFP-UHFFFAOYSA-N -1 0 310.306 -0.473 20 0 DBADRM Cn1nccc1[C@H]1[C@H](NC(=O)C2(C(=O)[O-])CC2)CC(=O)N1C ZINC000579359266 382063327 /nfs/dbraw/zinc/06/33/27/382063327.db2.gz HPRSPLWYRNKYQY-LDYMZIIASA-N -1 0 306.322 -0.327 20 0 DBADRM COC(=O)c1cc(F)ccc1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000579375594 382065501 /nfs/dbraw/zinc/06/55/01/382065501.db2.gz MWTFJLFCHMCWBS-MRVPVSSYSA-N -1 0 321.282 -0.664 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000578626493 382024859 /nfs/dbraw/zinc/02/48/59/382024859.db2.gz RPKOPDISIKCPNQ-GZMMTYOYSA-N -1 0 319.317 -0.036 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000578643961 382028326 /nfs/dbraw/zinc/02/83/26/382028326.db2.gz IDCFPWQZIOOTNH-YUMQZZPRSA-N -1 0 301.311 -0.125 20 0 DBADRM COCC(=O)N1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC000578774835 382033645 /nfs/dbraw/zinc/03/36/45/382033645.db2.gz RDQYKNAQTREOHC-UHFFFAOYSA-N -1 0 314.338 -0.815 20 0 DBADRM CC(C)[C@@H](NC(=O)CSCC(=O)[O-])C(=O)N1CCOCC1 ZINC000579951627 382102398 /nfs/dbraw/zinc/10/23/98/382102398.db2.gz VZSDZLVKGKSZOG-GFCCVEGCSA-N -1 0 318.395 -0.196 20 0 DBADRM C[C@@H](CC(=O)[O-])NS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000580831613 382115199 /nfs/dbraw/zinc/11/51/99/382115199.db2.gz DWEMQMBBWRVKIL-QMMMGPOBSA-N -1 0 316.401 -0.950 20 0 DBADRM O=C(NCCn1cc(Br)cn1)c1n[nH]c(=O)[n-]1 ZINC000580972101 382123702 /nfs/dbraw/zinc/12/37/02/382123702.db2.gz KNRVCPWWFVOAFU-UHFFFAOYSA-N -1 0 301.104 -0.101 20 0 DBADRM Cn1cc(CCCNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cn1 ZINC000581009219 382125435 /nfs/dbraw/zinc/12/54/35/382125435.db2.gz DGFNQWZGACHAJE-LLVKDONJSA-N -1 0 316.383 -0.264 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]2)[C@H](C)C1 ZINC000579515250 382073962 /nfs/dbraw/zinc/07/39/62/382073962.db2.gz SWUCJUJKDMTVLM-SSDOTTSWSA-N -1 0 303.344 -0.994 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC000360407091 382082597 /nfs/dbraw/zinc/08/25/97/382082597.db2.gz JVJYIVOFTGAYJX-VXGBXAGGSA-N -1 0 311.382 -0.280 20 0 DBADRM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC000360407090 382084052 /nfs/dbraw/zinc/08/40/52/382084052.db2.gz JVJYIVOFTGAYJX-TXEJJXNPSA-N -1 0 311.382 -0.280 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)C(=O)N(C)C ZINC000579711925 382087269 /nfs/dbraw/zinc/08/72/69/382087269.db2.gz HRYMRRACQSINKG-KXUCPTDWSA-N -1 0 313.354 -0.852 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000579833340 382096040 /nfs/dbraw/zinc/09/60/40/382096040.db2.gz VFSIHIUSCKXAIW-SECBINFHSA-N -1 0 303.340 -0.407 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC[C@H]1O ZINC000579952645 382101659 /nfs/dbraw/zinc/10/16/59/382101659.db2.gz JARRPOUEPUXAEE-WHOHXGKFSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCc2nccn2C)C[C@@H]1C(=O)[O-] ZINC000579953490 382101893 /nfs/dbraw/zinc/10/18/93/382101893.db2.gz JIZRTLKGCRDUJQ-UWVGGRQHSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000581168157 382133605 /nfs/dbraw/zinc/13/36/05/382133605.db2.gz CRBWLZWXSCEKAL-OUAUKWLOSA-N -1 0 306.384 -0.127 20 0 DBADRM CC[C@H](CNS(=O)(=O)N(C)CCC(=O)OC)CC(=O)[O-] ZINC000581345524 382143425 /nfs/dbraw/zinc/14/34/25/382143425.db2.gz FWZZSNBBNMHTFK-VIFPVBQESA-N -1 0 310.372 -0.183 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCCNC(=O)c1cnccn1 ZINC000581429095 382146760 /nfs/dbraw/zinc/14/67/60/382146760.db2.gz UUGPGBLKUKJPNV-ZJUUUORDSA-N -1 0 306.322 -0.321 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CC(O)(CO)C1 ZINC000615425875 382149093 /nfs/dbraw/zinc/14/90/93/382149093.db2.gz ANUHDWGUQQWICQ-UHFFFAOYSA-N -1 0 318.326 -0.624 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000581440442 382149177 /nfs/dbraw/zinc/14/91/77/382149177.db2.gz HGDAQGJPXQNMPM-ZJUUUORDSA-N -1 0 307.368 -0.098 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000581440439 382149190 /nfs/dbraw/zinc/14/91/90/382149190.db2.gz HGDAQGJPXQNMPM-NXEZZACHSA-N -1 0 307.368 -0.098 20 0 DBADRM COC(=O)c1cn(CCNC(=O)Cc2cncc(O)c2)nn1 ZINC000581558004 382157357 /nfs/dbraw/zinc/15/73/57/382157357.db2.gz CBDDFOQHCHIQKJ-UHFFFAOYSA-N -1 0 305.294 -0.476 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cnn(C)c1C)C(=O)[O-] ZINC000581584428 382158930 /nfs/dbraw/zinc/15/89/30/382158930.db2.gz GFFMEYPHIBPSCH-SCZZXKLOSA-N -1 0 305.356 -0.379 20 0 DBADRM COc1ccc(-n2cc([O-])c(C(=O)N3CC(O)(CO)C3)n2)cc1 ZINC000615430109 382165501 /nfs/dbraw/zinc/16/55/01/382165501.db2.gz TYFYQUPVYJARBL-UHFFFAOYSA-N -1 0 319.317 -0.234 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCn3cnnc3C2)C[C@@H]1C(=O)[O-] ZINC000581726619 382172630 /nfs/dbraw/zinc/17/26/30/382172630.db2.gz VRXSLCNOGLOKKY-UWVGGRQHSA-N -1 0 321.337 -0.811 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCn3cnnc3C2)C[C@H]1C(=O)[O-] ZINC000581726620 382172765 /nfs/dbraw/zinc/17/27/65/382172765.db2.gz VRXSLCNOGLOKKY-VHSXEESVSA-N -1 0 321.337 -0.811 20 0 DBADRM Cn1ncc(C(F)(F)F)c1CNC(=O)C(=O)NCCC(=O)[O-] ZINC000627277531 382213035 /nfs/dbraw/zinc/21/30/35/382213035.db2.gz NTBWMGBUGJPMKH-UHFFFAOYSA-N -1 0 322.243 -0.354 20 0 DBADRM CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000627278000 382213117 /nfs/dbraw/zinc/21/31/17/382213117.db2.gz FRXLTTIUHXDYAV-DTORHVGOSA-N -1 0 313.354 -0.674 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000627281191 382215096 /nfs/dbraw/zinc/21/50/96/382215096.db2.gz XZKKOMGBXLTWEM-ONGXEEELSA-N -1 0 323.353 -0.517 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCOCCF)CC[C@@H]1C(=O)[O-] ZINC000627281154 382215329 /nfs/dbraw/zinc/21/53/29/382215329.db2.gz XEBVJCZYKVQSPJ-ZJUUUORDSA-N -1 0 304.318 -0.342 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000627280426 382215346 /nfs/dbraw/zinc/21/53/46/382215346.db2.gz HWFVFNAWVHBHFZ-NXEZZACHSA-N -1 0 323.353 -0.517 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCCOC2)CCO1 ZINC000627280284 382215358 /nfs/dbraw/zinc/21/53/58/382215358.db2.gz DGDQJHSBCBSJJL-WDEREUQCSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)CCO1 ZINC000627281160 382215416 /nfs/dbraw/zinc/21/54/16/382215416.db2.gz XFLLFUNFYWYJEL-WYUUTHIRSA-N -1 0 310.350 -0.149 20 0 DBADRM CCOC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CCO1 ZINC000627279822 382215885 /nfs/dbraw/zinc/21/58/85/382215885.db2.gz UYULPTVBMXXGHK-ZJUUUORDSA-N -1 0 302.327 -0.913 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2CCCO2)c1 ZINC000615692660 382223683 /nfs/dbraw/zinc/22/36/83/382223683.db2.gz HUUAUEUKBHUBOY-MRVPVSSYSA-N -1 0 300.336 -0.052 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC(=O)N1 ZINC000615853653 382280542 /nfs/dbraw/zinc/28/05/42/382280542.db2.gz DSCBRFUZZFQZFV-ZETCQYMHSA-N -1 0 313.335 -1.000 20 0 DBADRM C[C@H]1CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC(=O)N1 ZINC000615853332 382281172 /nfs/dbraw/zinc/28/11/72/382281172.db2.gz AZPPINATDBJFIL-QMMMGPOBSA-N -1 0 302.290 -0.010 20 0 DBADRM COC[C@H]1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000081043424 382285282 /nfs/dbraw/zinc/28/52/82/382285282.db2.gz SQKONKMSBBSJML-QWRGUYRKSA-N -1 0 306.384 -0.004 20 0 DBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)C2CCCCC2)c1=O ZINC000154061168 382288363 /nfs/dbraw/zinc/28/83/63/382288363.db2.gz TXTSAJAAHQJDIC-UHFFFAOYSA-N -1 0 302.356 -0.640 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000627283664 382246608 /nfs/dbraw/zinc/24/66/08/382246608.db2.gz HSTPEVDTACUBQR-NZHYYXIDSA-N -1 0 314.338 -0.774 20 0 DBADRM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000615814997 382256990 /nfs/dbraw/zinc/25/69/90/382256990.db2.gz CWCQDBSNPMCEPY-ZKWXMUAHSA-N -1 0 308.294 -0.304 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC000627286776 382258822 /nfs/dbraw/zinc/25/88/22/382258822.db2.gz YLVLTIQKOAEUOU-KOLCDFICSA-N -1 0 323.349 -0.811 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000085408907 382328664 /nfs/dbraw/zinc/32/86/64/382328664.db2.gz JLQBZHBLOMCCSV-ZJUUUORDSA-N -1 0 318.395 -0.117 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(C)(C)C ZINC000112363200 382328682 /nfs/dbraw/zinc/32/86/82/382328682.db2.gz JRNGGCIXJYMFLS-MRVPVSSYSA-N -1 0 303.384 -0.203 20 0 DBADRM CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1cnnn1C ZINC000616169916 382339328 /nfs/dbraw/zinc/33/93/28/382339328.db2.gz DSGYKSBBTZAHSD-UHFFFAOYSA-N -1 0 314.327 -0.474 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1S(=O)(=O)N1CCOCC1 ZINC000091129825 382340387 /nfs/dbraw/zinc/34/03/87/382340387.db2.gz VMMFWBSDRQLPIB-VIFPVBQESA-N -1 0 310.397 -0.545 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)C[C@H](C)O1 ZINC000091294037 382341816 /nfs/dbraw/zinc/34/18/16/382341816.db2.gz XJMJHOVCGRJKHB-OUAUKWLOSA-N -1 0 322.383 -0.484 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000402545973 382398005 /nfs/dbraw/zinc/39/80/05/382398005.db2.gz HYJBBZVLXVMHQT-SNVBAGLBSA-N -1 0 308.254 -0.533 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(O)cc2)C1 ZINC000400114567 382389590 /nfs/dbraw/zinc/38/95/90/382389590.db2.gz HNZKZQKQZMWCAW-VIFPVBQESA-N -1 0 320.392 -0.296 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(O)cc2)C1 ZINC000400114169 382389766 /nfs/dbraw/zinc/38/97/66/382389766.db2.gz HNZKZQKQZMWCAW-SECBINFHSA-N -1 0 320.392 -0.296 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC1 ZINC000400196910 382389821 /nfs/dbraw/zinc/38/98/21/382389821.db2.gz PMVMOBVPPMEQGD-SNVBAGLBSA-N -1 0 319.383 -0.331 20 0 DBADRM CC(C)[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000400185257 382390137 /nfs/dbraw/zinc/39/01/37/382390137.db2.gz JDBHMVBBODYNSO-JTQLQIEISA-N -1 0 321.399 -0.181 20 0 DBADRM O=C(C[C@@H]1NC(=O)NC1=O)N(CCN1CCOCC1)CC1CC1 ZINC000619887801 382431387 /nfs/dbraw/zinc/43/13/87/382431387.db2.gz RRBCHBVPRLVNGK-LBPRGKRZSA-N -1 0 324.381 -0.845 20 0 DBADRM C[C@H](O)C1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000620075512 382438701 /nfs/dbraw/zinc/43/87/01/382438701.db2.gz WRKVXNGYGVRQHQ-ZETCQYMHSA-N -1 0 300.336 -0.317 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000062132665 382453413 /nfs/dbraw/zinc/45/34/13/382453413.db2.gz IGXSYCUPQGNREW-SNVBAGLBSA-N -1 0 320.367 -0.477 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000620823538 382456435 /nfs/dbraw/zinc/45/64/35/382456435.db2.gz CZVBQBFNXWAQMX-VXGBXAGGSA-N -1 0 310.350 -0.029 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])nn1 ZINC000621576713 382491945 /nfs/dbraw/zinc/49/19/45/382491945.db2.gz ZFAUWHGKJOAIQG-ZDUSSCGKSA-N -1 0 309.326 -0.554 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@H]1OC ZINC000621954016 382529064 /nfs/dbraw/zinc/52/90/64/382529064.db2.gz FGNBHXCUQRTYEH-CKYFFXLPSA-N -1 0 306.322 -0.055 20 0 DBADRM CCn1nccc1CCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000621774648 382505229 /nfs/dbraw/zinc/50/52/29/382505229.db2.gz ZKXLOUKLTDLTSJ-LLVKDONJSA-N -1 0 301.368 -0.371 20 0 DBADRM COc1ccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cn1 ZINC000621774598 382505546 /nfs/dbraw/zinc/50/55/46/382505546.db2.gz YIIFVZRGWLLTAB-JTQLQIEISA-N -1 0 300.336 -0.226 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccnn2C)C1 ZINC000312511165 382506417 /nfs/dbraw/zinc/50/64/17/382506417.db2.gz ATXOJEBSNBCTON-LLVKDONJSA-N -1 0 303.340 -0.468 20 0 DBADRM O=C([O-])C1CN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000621830302 382510820 /nfs/dbraw/zinc/51/08/20/382510820.db2.gz BJNCGAJMUQAGMK-ZETCQYMHSA-N -1 0 309.244 -0.124 20 0 DBADRM NC(=O)COc1cccc(CNC(=O)N2CC(C(=O)[O-])C2)c1 ZINC000621831074 382511220 /nfs/dbraw/zinc/51/12/20/382511220.db2.gz MKSLDXOGIILVHS-UHFFFAOYSA-N -1 0 307.306 -0.223 20 0 DBADRM O=C([O-])C1CN(C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000621829232 382511582 /nfs/dbraw/zinc/51/15/82/382511582.db2.gz NASBIFMFGGPMMX-UHFFFAOYSA-N -1 0 323.353 -0.503 20 0 DBADRM COCCOC1(CNC(=O)N2CC(C(=O)[O-])C2)CCOCC1 ZINC000621834918 382512186 /nfs/dbraw/zinc/51/21/86/382512186.db2.gz CEYASCWNGZPGPQ-UHFFFAOYSA-N -1 0 316.354 -0.075 20 0 DBADRM COCCC(=O)N1CCC(NC(=O)N2CC(C(=O)[O-])C2)CC1 ZINC000621832224 382512476 /nfs/dbraw/zinc/51/24/76/382512476.db2.gz MOFNDCXUGFRZQE-UHFFFAOYSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)c1c[n-]n2c1nccc2=O ZINC000621856051 382518492 /nfs/dbraw/zinc/51/84/92/382518492.db2.gz FFOVJUKNITTXFK-SNVBAGLBSA-N -1 0 305.338 -0.527 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](CO)C2)C[C@H]1C(=O)[O-] ZINC000622046132 382540688 /nfs/dbraw/zinc/54/06/88/382540688.db2.gz KGLKENBVHFRJRF-DDHJBXDOSA-N -1 0 312.366 -0.358 20 0 DBADRM O=C(CN1CCO[C@H](C(=O)[O-])C1)NC(=O)NC1CCCCC1 ZINC000314808356 382542563 /nfs/dbraw/zinc/54/25/63/382542563.db2.gz MUXTYPQKVNXDAC-NSHDSACASA-N -1 0 313.354 -0.070 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c[nH]1 ZINC000275239172 382577839 /nfs/dbraw/zinc/57/78/39/382577839.db2.gz GNGXUAGJKXUJBA-MUWHJKNJSA-N -1 0 318.307 -0.990 20 0 DBADRM Cn1nccc1S(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000329630344 382590534 /nfs/dbraw/zinc/59/05/34/382590534.db2.gz WFBLOABPPVDPSO-QMMMGPOBSA-N -1 0 312.355 -0.188 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000624249814 382606960 /nfs/dbraw/zinc/60/69/60/382606960.db2.gz ZIOOUCSVJIKKQI-SECBINFHSA-N -1 0 324.366 -0.137 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NC[C@@]2(O)CCOC2)cc1 ZINC000631184654 382646456 /nfs/dbraw/zinc/64/64/56/382646456.db2.gz WGGIFDMRJHOOJR-AWEZNQCLSA-N -1 0 305.338 -0.285 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NC[C@]2(O)CCOC2)cc1 ZINC000631184655 382646606 /nfs/dbraw/zinc/64/66/06/382646606.db2.gz WGGIFDMRJHOOJR-CQSZACIVSA-N -1 0 305.338 -0.285 20 0 DBADRM O=C(c1ccccn1)N1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000631724613 382650146 /nfs/dbraw/zinc/65/01/46/382650146.db2.gz AEVZITDMEIDPPZ-UHFFFAOYSA-N -1 0 321.362 -0.049 20 0 DBADRM CO[C@@H]1CCC[C@H]1S(=O)(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000632189002 382663384 /nfs/dbraw/zinc/66/33/84/382663384.db2.gz WSFWIKSFDAGYAN-OPRDCNLKSA-N -1 0 317.367 -0.880 20 0 DBADRM COCCN(C[C@H](O)C(F)(F)F)S(=O)(=O)c1ncc[n-]1 ZINC000632536768 382672869 /nfs/dbraw/zinc/67/28/69/382672869.db2.gz SSKYIGQZNWAFHU-ZETCQYMHSA-N -1 0 317.289 -0.030 20 0 DBADRM CC(C)O[C@]1(CS(=O)(=O)N[C@@H]2COCC[C@H]2O)CCOC1 ZINC000632707409 382676765 /nfs/dbraw/zinc/67/67/65/382676765.db2.gz NNXGMCWLZUQXSD-JHJVBQTASA-N -1 0 323.411 -0.360 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOC[C@H]2C)C1 ZINC000633065223 382680648 /nfs/dbraw/zinc/68/06/48/382680648.db2.gz CXTBOADZKKSLDR-YGRLFVJLSA-N -1 0 314.338 -0.817 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000633062117 382680745 /nfs/dbraw/zinc/68/07/45/382680745.db2.gz PVRLTBAYORRFKK-NSHDSACASA-N -1 0 308.338 -0.298 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(F)(F)C2)C1 ZINC000633062487 382680827 /nfs/dbraw/zinc/68/08/27/382680827.db2.gz BHKVFQBWAIXSCD-GFCCVEGCSA-N -1 0 320.292 -0.196 20 0 DBADRM CC1(C)CN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC[C@@H]1O ZINC000633072774 382680952 /nfs/dbraw/zinc/68/09/52/382680952.db2.gz OCOZEZVRVXZXOJ-QWRGUYRKSA-N -1 0 312.366 -0.071 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](n3cccn3)C2)C1 ZINC000633071330 382681017 /nfs/dbraw/zinc/68/10/17/382681017.db2.gz AFCAFPVFONEIES-RYUDHWBXSA-N -1 0 320.349 -0.020 20 0 DBADRM COCC1(O)CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC000627597097 382638254 /nfs/dbraw/zinc/63/82/54/382638254.db2.gz POOPKFXKEXGTBI-UHFFFAOYSA-N -1 0 315.351 -0.714 20 0 DBADRM COC(C)(C)c1nc(=NC(=O)C2CS(=O)(=O)C2)s[n-]1 ZINC000634149367 382692614 /nfs/dbraw/zinc/69/26/14/382692614.db2.gz WBSGEWAYKVGISE-UHFFFAOYSA-N -1 0 305.381 -0.175 20 0 DBADRM COCC(=O)N(C)CC(=O)N=c1nc(C(C)(C)OC)[n-]s1 ZINC000634151389 382692656 /nfs/dbraw/zinc/69/26/56/382692656.db2.gz ALFROSLBOCETMN-UHFFFAOYSA-N -1 0 316.383 -0.115 20 0 DBADRM COc1ccnc(CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])n1 ZINC000424491721 533042675 /nfs/dbraw/zinc/04/26/75/533042675.db2.gz YQIDPRYWWDAGCB-MRVPVSSYSA-N -1 0 310.310 -0.720 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1=O ZINC000358715365 220779588 /nfs/dbraw/zinc/77/95/88/220779588.db2.gz NZUUBIKJGPVJHR-OUAUKWLOSA-N -1 0 314.338 -0.772 20 0 DBADRM O=C([O-])C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000368149950 220882383 /nfs/dbraw/zinc/88/23/83/220882383.db2.gz KEKHZSINYGEOGV-SECBINFHSA-N -1 0 304.310 -0.459 20 0 DBADRM COc1ccc(C)cc1/C=C/C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000492598285 533375123 /nfs/dbraw/zinc/37/51/23/533375123.db2.gz UUOUQWFUGHIFSS-GQCTYLIASA-N -1 0 312.347 -0.052 20 0 DBADRM NC(=O)[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CCO1 ZINC000273717930 130157754 /nfs/dbraw/zinc/15/77/54/130157754.db2.gz QAYZIKRGOIAKLV-SSDOTTSWSA-N -1 0 320.348 -0.679 20 0 DBADRM COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000274869745 130268208 /nfs/dbraw/zinc/26/82/08/130268208.db2.gz AJOOCOAGNWGWDC-SECBINFHSA-N -1 0 317.319 -0.495 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])ccc1C ZINC000274868447 130268227 /nfs/dbraw/zinc/26/82/27/130268227.db2.gz AELYFUDOLJOKNV-JTQLQIEISA-N -1 0 317.319 -0.495 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000274898413 130271868 /nfs/dbraw/zinc/27/18/68/130271868.db2.gz HOVODJDCGZRXBH-LURJTMIESA-N -1 0 314.241 -0.176 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000274896183 130272261 /nfs/dbraw/zinc/27/22/61/130272261.db2.gz HDRAJFBENKNNSS-QMMMGPOBSA-N -1 0 311.323 -0.339 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])ccc1F ZINC000274910985 130273599 /nfs/dbraw/zinc/27/35/99/130273599.db2.gz KOLMKAUKNBXYAW-VIFPVBQESA-N -1 0 304.299 -0.259 20 0 DBADRM Cc1c(F)cccc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000274913829 130273618 /nfs/dbraw/zinc/27/36/18/130273618.db2.gz LGZQYOCNPVABEB-MRVPVSSYSA-N -1 0 304.299 -0.259 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000274935475 130274531 /nfs/dbraw/zinc/27/45/31/130274531.db2.gz CRDXWSMRVRPKIN-YUMQZZPRSA-N -1 0 311.367 -0.540 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000274935464 130275117 /nfs/dbraw/zinc/27/51/17/130275117.db2.gz CRDXWSMRVRPKIN-HTQZYQBOSA-N -1 0 311.367 -0.540 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000274934306 130275144 /nfs/dbraw/zinc/27/51/44/130275144.db2.gz CCBYOIYKSOOUJN-IUCAKERBSA-N -1 0 315.399 -0.896 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1c2ccccc2C[C@H]1O ZINC000274927004 130275671 /nfs/dbraw/zinc/27/56/71/130275671.db2.gz ZDZGMPJOAFOODM-KOLCDFICSA-N -1 0 306.347 -0.035 20 0 DBADRM Cn1cc(S(=O)(=O)NCCSCC(=O)[O-])cc1C(N)=O ZINC000274940101 130276071 /nfs/dbraw/zinc/27/60/71/130276071.db2.gz DZZSDBJOBRNANP-UHFFFAOYSA-N -1 0 321.380 -0.780 20 0 DBADRM COCc1cccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000274975905 130279158 /nfs/dbraw/zinc/27/91/58/130279158.db2.gz XAEVFLROZOMPLK-SNVBAGLBSA-N -1 0 316.335 -0.560 20 0 DBADRM COCCn1cc(S(=O)(=O)NCCSCC(=O)[O-])cn1 ZINC000275077488 130289831 /nfs/dbraw/zinc/28/98/31/130289831.db2.gz XWYWCBHWEPFKIL-UHFFFAOYSA-N -1 0 323.396 -0.374 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cs1 ZINC000275092111 130291242 /nfs/dbraw/zinc/29/12/42/130291242.db2.gz PESHEVYTZGUBPV-XRGYYRRGSA-N -1 0 323.348 -0.353 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)CCC(=O)N1CCC(O)CC1 ZINC000275120358 130293087 /nfs/dbraw/zinc/29/30/87/130293087.db2.gz HTAWJRUCJWRRSC-UHFFFAOYSA-N -1 0 324.337 -0.102 20 0 DBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1cccc2nonc21 ZINC000275137023 130294374 /nfs/dbraw/zinc/29/43/74/130294374.db2.gz WEHCLTQKQJYHTN-ZETCQYMHSA-N -1 0 301.280 -0.663 20 0 DBADRM COc1cccc(OC)c1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000275198496 130297983 /nfs/dbraw/zinc/29/79/83/130297983.db2.gz GJLPLUVLVZUKKA-ZETCQYMHSA-N -1 0 305.308 -0.572 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000275275348 130301133 /nfs/dbraw/zinc/30/11/33/130301133.db2.gz KIOKGEFOQNJYQR-UHFFFAOYSA-N -1 0 311.747 -0.550 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000275277346 130301506 /nfs/dbraw/zinc/30/15/06/130301506.db2.gz KSKYEHYPANJHKH-UHFFFAOYSA-N -1 0 303.292 -0.517 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]N1CCCNC1=O ZINC000275846723 130396525 /nfs/dbraw/zinc/39/65/25/130396525.db2.gz GAMDGPGKQCLELO-UHFFFAOYSA-N -1 0 307.763 -0.009 20 0 DBADRM CCCOC(=O)c1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1 ZINC000276072135 130434831 /nfs/dbraw/zinc/43/48/31/130434831.db2.gz FSZBQHCYSCFWLK-UHFFFAOYSA-N -1 0 323.305 -0.275 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000646640009 391922266 /nfs/dbraw/zinc/92/22/66/391922266.db2.gz PFZVHLWCLALGAW-UHFFFAOYSA-N -1 0 314.323 -0.403 20 0 DBADRM O=C(CN1CCCC1=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000276785283 130546598 /nfs/dbraw/zinc/54/65/98/130546598.db2.gz ZXMFFBKEGJXKOT-UHFFFAOYSA-N -1 0 302.294 -0.484 20 0 DBADRM O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000646720976 391931333 /nfs/dbraw/zinc/93/13/33/391931333.db2.gz HEHDVGFMQVLEFN-LDWIPMOCSA-N -1 0 309.244 -0.500 20 0 DBADRM O=C(CN1CC(=O)NC1=O)N[C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000646720979 391932151 /nfs/dbraw/zinc/93/21/51/391932151.db2.gz HEHDVGFMQVLEFN-WKEGUHRASA-N -1 0 309.244 -0.500 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1nnn(C)n1 ZINC000398118193 391999960 /nfs/dbraw/zinc/99/99/60/391999960.db2.gz ZURYFFCETMGBJF-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000649042264 392004379 /nfs/dbraw/zinc/00/43/79/392004379.db2.gz AHTDCFIOASHQOY-RKDXNWHRSA-N -1 0 306.278 -0.420 20 0 DBADRM CN=c1[n-]nc(CC(=O)NCC(C)(C)[C@@]2(O)CCOC2)s1 ZINC000649088539 392011882 /nfs/dbraw/zinc/01/18/82/392011882.db2.gz VSROYLJINRJVBJ-CYBMUJFWSA-N -1 0 314.411 -0.162 20 0 DBADRM CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(C)(=O)=O)C1 ZINC000228813480 391964556 /nfs/dbraw/zinc/96/45/56/391964556.db2.gz CISVKIKDXRHVKP-LLVKDONJSA-N -1 0 308.356 0.000 20 0 DBADRM CN1CC[C@H](C(=O)NC2(c3nnn[n-]3)CCCC2)S1(=O)=O ZINC000648788679 391973378 /nfs/dbraw/zinc/97/33/78/391973378.db2.gz SCVJHCDKCUCARO-MRVPVSSYSA-N -1 0 314.371 -0.881 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000649458359 392072906 /nfs/dbraw/zinc/07/29/06/392072906.db2.gz XZZCIZVOTUJTSC-JMJZKYOTSA-N -1 0 323.301 -0.008 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000649458507 392072914 /nfs/dbraw/zinc/07/29/14/392072914.db2.gz QEJBDLWBBGFCDM-UHFFFAOYSA-N -1 0 307.306 -0.049 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000649458358 392073134 /nfs/dbraw/zinc/07/31/34/392073134.db2.gz XZZCIZVOTUJTSC-FBIMIBRVSA-N -1 0 323.301 -0.008 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000649457143 392073254 /nfs/dbraw/zinc/07/32/54/392073254.db2.gz LQWFEMBETMQZOQ-JTQLQIEISA-N -1 0 321.399 -0.706 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000649455030 392073474 /nfs/dbraw/zinc/07/34/74/392073474.db2.gz UYBQPNZIBOIYAI-SECBINFHSA-N -1 0 306.384 -0.115 20 0 DBADRM O=C([O-])C(=O)N1CCN([C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000649452116 392074031 /nfs/dbraw/zinc/07/40/31/392074031.db2.gz PRURDNRHCMYGNY-QMMMGPOBSA-N -1 0 323.271 -0.622 20 0 DBADRM NS(=O)(=O)Cc1cccc(CNC(=O)C2(C(=O)[O-])CC2)c1 ZINC000649456954 392074185 /nfs/dbraw/zinc/07/41/85/392074185.db2.gz URFXCIXQQNQITC-UHFFFAOYSA-N -1 0 312.347 -0.044 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)C(C)(C)C(=O)[O-])cn1 ZINC000649464982 392075432 /nfs/dbraw/zinc/07/54/32/392075432.db2.gz FSRSPNWYFLBFKR-UHFFFAOYSA-N -1 0 312.326 -0.305 20 0 DBADRM CCc1[nH][nH]c(=NC(=O)N=c2ncn(CC(=O)N(C)C)[n-]2)c1C ZINC000554465754 392093882 /nfs/dbraw/zinc/09/38/82/392093882.db2.gz GPQHMCXDCISNEG-UHFFFAOYSA-N -1 0 320.357 -0.552 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)S1(=O)=O ZINC000649240192 392022922 /nfs/dbraw/zinc/02/29/22/392022922.db2.gz QAVIZBSQESGXFN-UWVGGRQHSA-N -1 0 316.379 -0.266 20 0 DBADRM CN1CC[C@H](C(=O)N2CCCC[C@H]2CC(=O)[O-])S1(=O)=O ZINC000649247791 392022975 /nfs/dbraw/zinc/02/29/75/392022975.db2.gz LIMAUBAJCGJEDH-VHSXEESVSA-N -1 0 304.368 -0.124 20 0 DBADRM CN1CC[C@@H](C(=O)NC2(C(=O)[O-])CCSCC2)S1(=O)=O ZINC000649246176 392023136 /nfs/dbraw/zinc/02/31/36/392023136.db2.gz ROPIQQRRKGDVCF-QMMMGPOBSA-N -1 0 322.408 -0.513 20 0 DBADRM CN1CC[C@H](C(=O)NC2(CC(=O)[O-])CCCC2)S1(=O)=O ZINC000649250102 392023465 /nfs/dbraw/zinc/02/34/65/392023465.db2.gz DDXJSVVYHFYDTM-SECBINFHSA-N -1 0 304.368 -0.076 20 0 DBADRM CC[C@@H](CNC(=O)CNS(=O)(=O)CCCOC)C(=O)[O-] ZINC000649263706 392024262 /nfs/dbraw/zinc/02/42/62/392024262.db2.gz HXQVFDNJHUDCEM-VIFPVBQESA-N -1 0 310.372 -0.831 20 0 DBADRM CC[C@H](CNC(=O)CNS(=O)(=O)CCOC(C)C)C(=O)[O-] ZINC000649263366 392025275 /nfs/dbraw/zinc/02/52/75/392025275.db2.gz ZWYJWFOSYQNZHY-SNVBAGLBSA-N -1 0 324.399 -0.442 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@@H](C(=O)[O-])C1 ZINC000649251262 392025320 /nfs/dbraw/zinc/02/53/20/392025320.db2.gz SADCMVOSLZMEPT-OPRDCNLKSA-N -1 0 304.368 -0.268 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)CCN2CCCC2=O)[n-]1 ZINC000551937033 392053998 /nfs/dbraw/zinc/05/39/98/392053998.db2.gz JFIABDYPHYBPIM-UHFFFAOYSA-N -1 0 301.324 -0.408 20 0 DBADRM O=C([O-])C[C@@H]1CN(c2nccc(N3CCOCC3)n2)CCO1 ZINC000649401689 392062799 /nfs/dbraw/zinc/06/27/99/392062799.db2.gz AVOWFKRDZNTFQR-LLVKDONJSA-N -1 0 308.338 -0.007 20 0 DBADRM COCc1nc2n(n1)C[C@@H](Nc1ccc(C(=O)[O-])nn1)CC2 ZINC000649396555 392063081 /nfs/dbraw/zinc/06/30/81/392063081.db2.gz UGSHCNJAIWMWBG-QMMMGPOBSA-N -1 0 304.310 -0.239 20 0 DBADRM C[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CC[C@@H]1C(=O)[O-] ZINC000649405242 392064879 /nfs/dbraw/zinc/06/48/79/392064879.db2.gz LIFPYGYFFZNMDI-SFYZADRCSA-N -1 0 321.337 -0.080 20 0 DBADRM Cc1c(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cnn1C ZINC000380642658 392065037 /nfs/dbraw/zinc/06/50/37/392065037.db2.gz NPGGFCVJIAXPEW-SECBINFHSA-N -1 0 303.340 -0.407 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCC[C@@H](N2CCOCC2)C1 ZINC000382545957 392095098 /nfs/dbraw/zinc/09/50/98/392095098.db2.gz IYPSEODBDBWUCK-LLVKDONJSA-N -1 0 300.384 -0.105 20 0 DBADRM O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000555070024 392103918 /nfs/dbraw/zinc/10/39/18/392103918.db2.gz KREQPEYQGCSDGE-FIQHERPVSA-N -1 0 307.354 -0.043 20 0 DBADRM COC[C@@H](CO)NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000279977236 130773942 /nfs/dbraw/zinc/77/39/42/130773942.db2.gz KTHSGGCIPCIICA-SECBINFHSA-N -1 0 320.342 -0.066 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000275378601 392122645 /nfs/dbraw/zinc/12/26/45/392122645.db2.gz XEFKNRWCDVMRKS-UHFFFAOYSA-N -1 0 314.319 -0.751 20 0 DBADRM CC(=O)c1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1 ZINC000275367238 392122695 /nfs/dbraw/zinc/12/26/95/392122695.db2.gz VTAVUWYZXOPUON-UHFFFAOYSA-N -1 0 301.320 -0.043 20 0 DBADRM O=C([O-])C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000274175073 392122776 /nfs/dbraw/zinc/12/27/76/392122776.db2.gz NRAVPOBHVIWJQW-UHFFFAOYSA-N -1 0 309.297 -0.007 20 0 DBADRM O=C([O-])C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000274195748 392122909 /nfs/dbraw/zinc/12/29/09/392122909.db2.gz RZROEPKKFUFTEU-UHFFFAOYSA-N -1 0 317.345 -0.196 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CC(c2cccnc2)=NO1 ZINC000280139870 130785185 /nfs/dbraw/zinc/78/51/85/130785185.db2.gz QDYCFDUCTDNKSX-SNVBAGLBSA-N -1 0 303.278 -0.390 20 0 DBADRM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000352887372 392129059 /nfs/dbraw/zinc/12/90/59/392129059.db2.gz XPZHSOCCIAOUDS-HTQZYQBOSA-N -1 0 319.339 -0.834 20 0 DBADRM CN(C)c1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccn1 ZINC000282002849 130896352 /nfs/dbraw/zinc/89/63/52/130896352.db2.gz HVIVRNCWERZJHO-UHFFFAOYSA-N -1 0 314.367 -0.657 20 0 DBADRM Cn1c(=O)c2cc(NC(=O)C(C)(C)C(=O)[O-])cnc2n(C)c1=O ZINC000647780005 392350182 /nfs/dbraw/zinc/35/01/82/392350182.db2.gz UMURETZCISGSLS-UHFFFAOYSA-N -1 0 320.305 -0.319 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c(C)c1 ZINC000035085370 392350589 /nfs/dbraw/zinc/35/05/89/392350589.db2.gz GGFWVSNSCXUFGZ-UHFFFAOYSA-N -1 0 300.336 -0.217 20 0 DBADRM Cc1ccc(F)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000035384545 392359849 /nfs/dbraw/zinc/35/98/49/392359849.db2.gz MMPKLSZKQPXFTJ-UHFFFAOYSA-N -1 0 304.299 -0.387 20 0 DBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1c(C)cnn1C ZINC000285127310 131140109 /nfs/dbraw/zinc/14/01/09/131140109.db2.gz NMBAFBDAXNIEHA-SECBINFHSA-N -1 0 305.356 -0.161 20 0 DBADRM COC(=O)c1ccc(CS(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000037465390 392375805 /nfs/dbraw/zinc/37/58/05/392375805.db2.gz CTXCFHHOTFRKIM-JTQLQIEISA-N -1 0 317.319 -0.662 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2ccoc2)C1 ZINC000285141697 131142185 /nfs/dbraw/zinc/14/21/85/131142185.db2.gz OEJJJOCAXBXGBI-MRVPVSSYSA-N -1 0 302.308 -0.509 20 0 DBADRM Cn1cc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])cc1C(N)=O ZINC000037463214 392376011 /nfs/dbraw/zinc/37/60/11/392376011.db2.gz OMIQYCGQJUPRDT-QMMMGPOBSA-N -1 0 319.364 -0.728 20 0 DBADRM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)CNC(=O)[O-] ZINC000285852196 131205608 /nfs/dbraw/zinc/20/56/08/131205608.db2.gz ZDIYSMRHLXHRGB-GFCCVEGCSA-N -1 0 321.381 -0.024 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000037418337 392373205 /nfs/dbraw/zinc/37/32/05/392373205.db2.gz FHVUVPVLYDGVEB-VIFPVBQESA-N -1 0 303.340 -0.489 20 0 DBADRM COc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1C(N)=O ZINC000037419963 392373696 /nfs/dbraw/zinc/37/36/96/392373696.db2.gz SQFMXHMZJRXPAF-UHFFFAOYSA-N -1 0 302.308 -0.453 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](C)CC(=O)[O-])cc1C(N)=O ZINC000037420012 392373742 /nfs/dbraw/zinc/37/37/42/392373742.db2.gz GPPWHGPPONRTQQ-ZETCQYMHSA-N -1 0 316.335 -0.064 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000037406681 392374005 /nfs/dbraw/zinc/37/40/05/392374005.db2.gz IWBPFTBRNJJPIY-SNVBAGLBSA-N -1 0 317.319 -0.413 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1F ZINC000037417759 392374062 /nfs/dbraw/zinc/37/40/62/392374062.db2.gz HOQLUDVMEZOFCT-LDWIPMOCSA-N -1 0 307.299 -0.053 20 0 DBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000340235844 131245407 /nfs/dbraw/zinc/24/54/07/131245407.db2.gz NHZNIVLXTPEQKV-UHFFFAOYSA-N -1 0 307.349 -0.157 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000286998785 131259384 /nfs/dbraw/zinc/25/93/84/131259384.db2.gz MSKANESWTKDSEU-SECBINFHSA-N -1 0 303.384 -0.477 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000037591692 392376782 /nfs/dbraw/zinc/37/67/82/392376782.db2.gz WSMBZOJLSXSSIP-QMMMGPOBSA-N -1 0 317.367 -0.002 20 0 DBADRM O=C(Cn1cc([N-]S(=O)(=O)c2cn[nH]c2)cn1)NC1CC1 ZINC000037791403 392378021 /nfs/dbraw/zinc/37/80/21/392378021.db2.gz DANFCGJPZBCAKX-UHFFFAOYSA-N -1 0 310.339 -0.314 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCc1nnn(C)n1 ZINC000398168027 392380806 /nfs/dbraw/zinc/38/08/06/392380806.db2.gz YEWRVFOCALEBRF-UHFFFAOYSA-N -1 0 301.284 -0.712 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)C(=O)[N-]OCCSC)C1 ZINC000288240710 131317420 /nfs/dbraw/zinc/31/74/20/131317420.db2.gz KNULAPNVDYQGQA-VIFPVBQESA-N -1 0 303.384 -0.476 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]N2C(=O)N[C@@](C)(CC)C2=O)cn1 ZINC000289067156 131356056 /nfs/dbraw/zinc/35/60/56/131356056.db2.gz FKQXOMJRIOAFSN-NSHDSACASA-N -1 0 315.355 -0.183 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1=O ZINC000289075858 131356532 /nfs/dbraw/zinc/35/65/32/131356532.db2.gz KCBRAKQPEVWTAG-ZDUSSCGKSA-N -1 0 318.293 -0.384 20 0 DBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1 ZINC000037417799 392417017 /nfs/dbraw/zinc/41/70/17/392417017.db2.gz PTJKTWWTKNJGKI-UHFFFAOYSA-N -1 0 307.349 -0.157 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-]c1n[nH]c(C)c1C(N)=O)C1CC1 ZINC000647129921 392433864 /nfs/dbraw/zinc/43/38/64/392433864.db2.gz MIWODRJMKUFOST-QMMMGPOBSA-N -1 0 302.356 -0.016 20 0 DBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)CCC1CCOCC1 ZINC000557629209 392438601 /nfs/dbraw/zinc/43/86/01/392438601.db2.gz INBLRQJMBNJUQA-NSHDSACASA-N -1 0 307.368 -0.082 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)N(C)[C@@H](C)C1CC1)C(=O)[O-] ZINC000560479791 392522630 /nfs/dbraw/zinc/52/26/30/392522630.db2.gz AXSCARZUKAHIGQ-IONNQARKSA-N -1 0 308.356 -0.433 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)c2ccc(O)cc2)C1 ZINC000582128279 392530463 /nfs/dbraw/zinc/53/04/63/392530463.db2.gz GTJQSOWTYLDJLL-JTQLQIEISA-N -1 0 312.347 -0.275 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000583438333 392531442 /nfs/dbraw/zinc/53/14/42/392531442.db2.gz FCFVCFCGAOCUHL-SECBINFHSA-N -1 0 303.340 -0.233 20 0 DBADRM Cc1cccn2c(=O)c(C(=O)N3CCO[C@H](C(=O)[O-])C3)cnc12 ZINC000647219458 392484680 /nfs/dbraw/zinc/48/46/80/392484680.db2.gz DKWHCRHBAPPGIQ-NSHDSACASA-N -1 0 317.301 -0.071 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000647216982 392484684 /nfs/dbraw/zinc/48/46/84/392484684.db2.gz SEFSDLVKGRMKPT-JTQLQIEISA-N -1 0 318.337 -0.228 20 0 DBADRM O=C(NCCO)c1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC000040829697 392490948 /nfs/dbraw/zinc/49/09/48/392490948.db2.gz LNOVGUFJNVHNNH-UHFFFAOYSA-N -1 0 310.335 -0.067 20 0 DBADRM Cn1nccc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000559543219 392507228 /nfs/dbraw/zinc/50/72/28/392507228.db2.gz WJVZXKFZCVEFCA-JOYOIKCWSA-N -1 0 315.351 -0.468 20 0 DBADRM CC(C)[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)N1CCCC1=O ZINC000370858867 392507562 /nfs/dbraw/zinc/50/75/62/392507562.db2.gz FEUNYLBGIDSZIN-CMPLNLGQSA-N -1 0 322.369 -0.253 20 0 DBADRM CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037501907 392509094 /nfs/dbraw/zinc/50/90/94/392509094.db2.gz WQDMIFJHXYJHHC-SSDOTTSWSA-N -1 0 302.308 -0.123 20 0 DBADRM CCC(CC)(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000559735610 392511591 /nfs/dbraw/zinc/51/15/91/392511591.db2.gz CTWWHIYBTCJVJF-UHFFFAOYSA-N -1 0 315.413 -0.016 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000559916011 392513005 /nfs/dbraw/zinc/51/30/05/392513005.db2.gz BYHAQRMCXCNYNF-ZETCQYMHSA-N -1 0 321.742 -0.209 20 0 DBADRM CO[C@H](CNC(=O)Cn1ncc(=O)c2ccccc21)C(=O)[O-] ZINC000427796853 392556718 /nfs/dbraw/zinc/55/67/18/392556718.db2.gz JXJWCWGIQYTAPI-GFCCVEGCSA-N -1 0 305.290 -0.388 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)[O-] ZINC000168823632 392569806 /nfs/dbraw/zinc/56/98/06/392569806.db2.gz MJRKNWHBDWFNSF-MRVPVSSYSA-N -1 0 319.339 -0.289 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCNC(=O)CC2)CC1 ZINC000647503264 392619249 /nfs/dbraw/zinc/61/92/49/392619249.db2.gz GOAAKOHISJLVLO-UHFFFAOYSA-N -1 0 311.338 -0.952 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1ccc2nc(C)nn2c1)C(=O)[O-] ZINC000647489510 392596326 /nfs/dbraw/zinc/59/63/26/392596326.db2.gz IVVAVQNQGCXJIE-VIFPVBQESA-N -1 0 305.294 -0.044 20 0 DBADRM CC[C@H](NC(=O)C(=O)N=c1ccn(CC(F)F)[nH]1)C(=O)[O-] ZINC000647489044 392596814 /nfs/dbraw/zinc/59/68/14/392596814.db2.gz KUQCJSNEBNWBHU-LURJTMIESA-N -1 0 304.253 -0.512 20 0 DBADRM CN(C)c1ncc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cn1 ZINC000647491777 392599118 /nfs/dbraw/zinc/59/91/18/392599118.db2.gz MVIGWYQNXUXZAP-DTWKUNHWSA-N -1 0 321.337 -0.149 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cnnn1C ZINC000643971357 392603158 /nfs/dbraw/zinc/60/31/58/392603158.db2.gz LOKIQDXIBYJXPF-JTQLQIEISA-N -1 0 304.328 -0.931 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)on1 ZINC000566559610 392549976 /nfs/dbraw/zinc/54/99/76/392549976.db2.gz MPGXHLBDINSJGT-SECBINFHSA-N -1 0 304.324 -0.012 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cccc3cn[nH]c32)CCS1(=O)=O ZINC000424238294 392664818 /nfs/dbraw/zinc/66/48/18/392664818.db2.gz IINUWCNOLVQPQV-SNVBAGLBSA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3nccn3c2)CCS1(=O)=O ZINC000424231085 392664933 /nfs/dbraw/zinc/66/49/33/392664933.db2.gz ANLPMIZHAZYINO-JTQLQIEISA-N -1 0 323.330 -0.342 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)COc2ccccc2)CCS1(=O)=O ZINC000424246604 392667030 /nfs/dbraw/zinc/66/70/30/392667030.db2.gz PUCBCAXDFYNDEB-LLVKDONJSA-N -1 0 313.331 -0.224 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3cc[nH]c3n2)CCS1(=O)=O ZINC000424255511 392667270 /nfs/dbraw/zinc/66/72/70/392667270.db2.gz ZRSADPRAQYYBCF-SNVBAGLBSA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cc2ccc(O)cc2)CCS1(=O)=O ZINC000424245149 392667340 /nfs/dbraw/zinc/66/73/40/392667340.db2.gz OOHUVBZWICOWKU-NSHDSACASA-N -1 0 313.331 -0.355 20 0 DBADRM Cc1cnn(CCC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424245271 392667622 /nfs/dbraw/zinc/66/76/22/392667622.db2.gz ORJXWNJVMVPUHN-JTQLQIEISA-N -1 0 315.351 -0.708 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cc(C3CC3)on2)CCS1(=O)=O ZINC000424247865 392667643 /nfs/dbraw/zinc/66/76/43/392667643.db2.gz RMQQFNNKYUQEFD-SNVBAGLBSA-N -1 0 314.319 -0.124 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Nc2ccncc2F)CCS1(=O)=O ZINC000424380044 392668338 /nfs/dbraw/zinc/66/83/38/392668338.db2.gz JJUMDKCKZOZNDV-SECBINFHSA-N -1 0 317.298 -0.642 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccoc2)CCS1(=O)=O ZINC000424364365 392668570 /nfs/dbraw/zinc/66/85/70/392668570.db2.gz DHRXJYMMLAGGJD-MRVPVSSYSA-N -1 0 309.321 -0.848 20 0 DBADRM C[C@@H](NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(C)(F)F ZINC000424395480 392668593 /nfs/dbraw/zinc/66/85/93/392668593.db2.gz ZXMMKKNJSLZKHH-RNFRBKRXSA-N -1 0 314.310 -0.077 20 0 DBADRM CCC[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)OC ZINC000424397304 392668730 /nfs/dbraw/zinc/66/87/30/392668730.db2.gz JOWZXULVWSAGDK-NXEZZACHSA-N -1 0 322.383 -0.305 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccco2)CCS1(=O)=O ZINC000424368828 392668758 /nfs/dbraw/zinc/66/87/58/392668758.db2.gz QPDVJTIJYWIRID-SSDOTTSWSA-N -1 0 309.321 -0.848 20 0 DBADRM Cc1nc2[nH]ccc2c(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424473733 392670149 /nfs/dbraw/zinc/67/01/49/392670149.db2.gz QYKMDZDBAKQGJT-SECBINFHSA-N -1 0 310.335 -0.046 20 0 DBADRM CC1(C)COC[C@@H]1NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424400179 392670304 /nfs/dbraw/zinc/67/03/04/392670304.db2.gz SWCFSYOIAHYDOP-IUCAKERBSA-N -1 0 320.367 -0.695 20 0 DBADRM C[C@@H]1CC[C@@H](CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)O1 ZINC000424400114 392670453 /nfs/dbraw/zinc/67/04/53/392670453.db2.gz SKLQGCRAZJRTDD-UTLUCORTSA-N -1 0 320.367 -0.553 20 0 DBADRM CO[C@@H]1CC[C@H](NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424453056 392671778 /nfs/dbraw/zinc/67/17/78/392671778.db2.gz RATUGIMKQWWEBT-AEJSXWLSSA-N -1 0 320.367 -0.553 20 0 DBADRM Cc1nn(C)c2nccc(N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)c12 ZINC000424468104 392671937 /nfs/dbraw/zinc/67/19/37/392671937.db2.gz IRHULNYHTJFIEJ-JTQLQIEISA-N -1 0 324.362 -0.035 20 0 DBADRM COc1nc(C)cc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424469886 392672009 /nfs/dbraw/zinc/67/20/09/392672009.db2.gz KSSKTBWTHXMARM-MRVPVSSYSA-N -1 0 301.324 -0.518 20 0 DBADRM COc1nc(C)nc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1C ZINC000424469988 392672632 /nfs/dbraw/zinc/67/26/32/392672632.db2.gz LDPHWKSVZVHSBR-VIFPVBQESA-N -1 0 315.351 -0.210 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CC=CCC2)CCS1(=O)=O ZINC000424420214 392672689 /nfs/dbraw/zinc/67/26/89/392672689.db2.gz ZGNPVHXVEFPQEV-ZJUUUORDSA-N -1 0 302.352 -0.012 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(C)(O)CC2)C[C@H]1C(=O)[O-] ZINC000647503855 392622184 /nfs/dbraw/zinc/62/21/84/392622184.db2.gz OKXYIHICXBAMDL-WDEREUQCSA-N -1 0 312.366 -0.071 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)NCC2(C(=O)[O-])CC2)C1 ZINC000166926122 392624087 /nfs/dbraw/zinc/62/40/87/392624087.db2.gz YBDXWSYDWHYOCU-VIFPVBQESA-N -1 0 304.368 -0.361 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000319248522 392624961 /nfs/dbraw/zinc/62/49/61/392624961.db2.gz YZRXPUHPPDHBOR-QMTHXVAHSA-N -1 0 315.370 -0.014 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NC[C@H]1CCCNC1=O)C(=O)[O-] ZINC000644202690 392695013 /nfs/dbraw/zinc/69/50/13/392695013.db2.gz NTNCTFHCEFFTNF-SECBINFHSA-N -1 0 313.354 -0.754 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCCN2CCCC2=O)C1 ZINC000405400259 392626075 /nfs/dbraw/zinc/62/60/75/392626075.db2.gz WAXMZEGQPZIFGP-AWEZNQCLSA-N -1 0 313.354 -0.259 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000647506538 392626376 /nfs/dbraw/zinc/62/63/76/392626376.db2.gz ODOCQVJXLIJXQG-GXSJLCMTSA-N -1 0 313.354 -0.850 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](CF)C2)CC1 ZINC000647505882 392626510 /nfs/dbraw/zinc/62/65/10/392626510.db2.gz LQPCJUQETNRYEP-JTQLQIEISA-N -1 0 316.329 -0.103 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647582545 392648251 /nfs/dbraw/zinc/64/82/51/392648251.db2.gz HSZAPUQTWBLZJR-WDEREUQCSA-N -1 0 308.338 -0.323 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cn1 ZINC000647580867 392648292 /nfs/dbraw/zinc/64/82/92/392648292.db2.gz AILZDPXAHPFOPN-WDEREUQCSA-N -1 0 308.338 -0.552 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCc2cn(C)nn2)C[C@H]1C(=O)[O-] ZINC000647586144 392649229 /nfs/dbraw/zinc/64/92/29/392649229.db2.gz PLIGYLCGOYECEI-WCBMZHEXSA-N -1 0 309.326 -1.000 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCC(=O)N1 ZINC000647588927 392649262 /nfs/dbraw/zinc/64/92/62/392649262.db2.gz NZOFGFXKJLLZKV-QIBSRJKCSA-N -1 0 311.338 -0.859 20 0 DBADRM CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])C1=O ZINC000647589274 392649349 /nfs/dbraw/zinc/64/93/49/392649349.db2.gz CSJGCLOEMPJFEN-SECBINFHSA-N -1 0 313.354 -0.517 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC000647587212 392649365 /nfs/dbraw/zinc/64/93/65/392649365.db2.gz CAFYEDQHDNUPPE-GXSJLCMTSA-N -1 0 308.338 -0.552 20 0 DBADRM CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])C1=O ZINC000647589275 392649444 /nfs/dbraw/zinc/64/94/44/392649444.db2.gz CSJGCLOEMPJFEN-VIFPVBQESA-N -1 0 313.354 -0.517 20 0 DBADRM CC(C)(O)CCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647585032 392649695 /nfs/dbraw/zinc/64/96/95/392649695.db2.gz AEYGOKVEMPOMQA-UHFFFAOYSA-N -1 0 300.355 -0.023 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCc3c[nH]nc3C2)C1 ZINC000647592348 392650872 /nfs/dbraw/zinc/65/08/72/392650872.db2.gz BUBUIJYVBWCGIU-SCZZXKLOSA-N -1 0 306.322 -0.336 20 0 DBADRM C[C@H](O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647592191 392650982 /nfs/dbraw/zinc/65/09/82/392650982.db2.gz WUHDEOXMVZSEJM-FIQHERPVSA-N -1 0 312.366 -0.025 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(CC3CC3)CC2)C1 ZINC000647591106 392651095 /nfs/dbraw/zinc/65/10/95/392651095.db2.gz NORILNYCCFFJGT-OLZOCXBDSA-N -1 0 323.393 -0.090 20 0 DBADRM C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647592194 392651185 /nfs/dbraw/zinc/65/11/85/392651185.db2.gz WUHDEOXMVZSEJM-WRWGMCAJSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647592192 392651206 /nfs/dbraw/zinc/65/12/06/392651206.db2.gz WUHDEOXMVZSEJM-NNYUYHANSA-N -1 0 312.366 -0.025 20 0 DBADRM CN(CCCCCO)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647593177 392652336 /nfs/dbraw/zinc/65/23/36/392652336.db2.gz BPNZTUMMGNAKIM-WDEREUQCSA-N -1 0 300.355 -0.023 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@H]1C(=O)[O-] ZINC000647617712 392655965 /nfs/dbraw/zinc/65/59/65/392655965.db2.gz HBBVDABKWKBXOY-IONOHQLYSA-N -1 0 303.340 -0.031 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccn(C)n1 ZINC000647640562 392662307 /nfs/dbraw/zinc/66/23/07/392662307.db2.gz RJFAWXICFVDXLY-NSHDSACASA-N -1 0 303.340 -0.326 20 0 DBADRM Cn1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)n1 ZINC000647642493 392663270 /nfs/dbraw/zinc/66/32/70/392663270.db2.gz LWVHCSYUYPSZLF-UHFFFAOYSA-N -1 0 303.340 -0.420 20 0 DBADRM C[C@H]1OCC[C@H]1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647642495 392663935 /nfs/dbraw/zinc/66/39/35/392663935.db2.gz MAKDZAILYOZYHP-NXEZZACHSA-N -1 0 307.368 -0.035 20 0 DBADRM CC[C@H](CS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C)OC ZINC000647642823 392664034 /nfs/dbraw/zinc/66/40/34/392664034.db2.gz MTPCZDZPRVJXFD-PSASIEDQSA-N -1 0 305.356 -0.110 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CC[C@H](n2cncn2)C1)C(=O)[O-] ZINC000644202989 392695397 /nfs/dbraw/zinc/69/53/97/392695397.db2.gz NTKYIYDKKJIDMB-JTQLQIEISA-N -1 0 323.353 -0.331 20 0 DBADRM O=C([O-])C1(O)CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1 ZINC000644572987 392779437 /nfs/dbraw/zinc/77/94/37/392779437.db2.gz CTQGZOLCTVDKNX-JTQLQIEISA-N -1 0 307.368 -0.203 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(CC)CC(=O)[O-] ZINC000038016925 392841541 /nfs/dbraw/zinc/84/15/41/392841541.db2.gz URCREIQIAYFKEA-SECBINFHSA-N -1 0 308.356 -0.335 20 0 DBADRM O=C1OCCN1CCCNS(=O)(=O)[N-]CC(F)(F)F ZINC000497173449 392798856 /nfs/dbraw/zinc/79/88/56/392798856.db2.gz UGQPASOBWNFMNI-UHFFFAOYSA-N -1 0 305.278 -0.185 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC000497196763 392800555 /nfs/dbraw/zinc/80/05/55/392800555.db2.gz OFIDVMIFYLWHMN-BDAKNGLRSA-N -1 0 322.383 -0.008 20 0 DBADRM CCCC[C@H](NC(=O)NCCNS(=O)(=O)CC)C(=O)[O-] ZINC000390184021 392806035 /nfs/dbraw/zinc/80/60/35/392806035.db2.gz QVWLXULDEKPZSF-VIFPVBQESA-N -1 0 309.388 -0.132 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)COc1ccc(C(N)=O)cc1 ZINC000647695389 392814525 /nfs/dbraw/zinc/81/45/25/392814525.db2.gz FBISRMPICAULNM-UHFFFAOYSA-N -1 0 306.278 -0.089 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-] ZINC000021515903 392832225 /nfs/dbraw/zinc/83/22/25/392832225.db2.gz SBTZKZNOLJWCMH-SECBINFHSA-N -1 0 304.299 -0.177 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000647738061 392833730 /nfs/dbraw/zinc/83/37/30/392833730.db2.gz TUJQUWMGBAQLKF-QMMMGPOBSA-N -1 0 307.372 -0.871 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N(C)CCN1CCCS1(=O)=O ZINC000647784312 392888569 /nfs/dbraw/zinc/88/85/69/392888569.db2.gz QEKUQFMEVWUARH-SNVBAGLBSA-N -1 0 306.384 -0.163 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000263339386 392899127 /nfs/dbraw/zinc/89/91/27/392899127.db2.gz XDISEUWPPIGPMW-JTQLQIEISA-N -1 0 307.368 -0.241 20 0 DBADRM Cc1nc(S(=O)(=O)[N-]c2ccn(CC(=O)N(C)C)n2)c[nH]1 ZINC000263850179 392911924 /nfs/dbraw/zinc/91/19/24/392911924.db2.gz MZJWLHMRMZNXOL-UHFFFAOYSA-N -1 0 312.355 -0.196 20 0 DBADRM C[C@@H]1C[C@@H](S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)CCO1 ZINC000570971730 392854309 /nfs/dbraw/zinc/85/43/09/392854309.db2.gz KXFCCSIGHHJIFN-BDAKNGLRSA-N -1 0 318.355 -0.537 20 0 DBADRM CC[C@H](NC(=O)COCC(=O)NCc1cccnc1)C(=O)[O-] ZINC000647768750 392856430 /nfs/dbraw/zinc/85/64/30/392856430.db2.gz XJKBGOPBOUWCPF-NSHDSACASA-N -1 0 309.322 -0.306 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000262448855 392858026 /nfs/dbraw/zinc/85/80/26/392858026.db2.gz GXTUZFNJIHKVLX-DTWKUNHWSA-N -1 0 302.352 -0.390 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C1(C(=O)[O-])CCC1 ZINC000571049350 392861266 /nfs/dbraw/zinc/86/12/66/392861266.db2.gz HGMNCCIAHFPCBP-VIFPVBQESA-N -1 0 311.338 -0.906 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)co1 ZINC000647779783 392874134 /nfs/dbraw/zinc/87/41/34/392874134.db2.gz QVLQJUTUKWMPSV-POYBYMJQSA-N -1 0 302.308 -0.090 20 0 DBADRM Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)[N-]OCC(N)=O ZINC000272195274 392932678 /nfs/dbraw/zinc/93/26/78/392932678.db2.gz GLDLCVNVLNRPRA-LLVKDONJSA-N -1 0 322.300 -0.562 20 0 DBADRM O=C([O-])C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000274152893 392937413 /nfs/dbraw/zinc/93/74/13/392937413.db2.gz IZBWAUVDYBUBRN-UHFFFAOYSA-N -1 0 312.756 -0.119 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1c(C)cnn1C ZINC000647927347 392935917 /nfs/dbraw/zinc/93/59/17/392935917.db2.gz KQJUIOYQCCFBAH-GFCCVEGCSA-N -1 0 317.367 -0.017 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cn(C)c(C)n1 ZINC000647927291 392936350 /nfs/dbraw/zinc/93/63/50/392936350.db2.gz IIVAEUCDDBWNIM-GFCCVEGCSA-N -1 0 317.367 -0.017 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCOCC1 ZINC000647928012 392937586 /nfs/dbraw/zinc/93/75/86/392937586.db2.gz CFZPLPJKVVFPDK-NSHDSACASA-N -1 0 308.356 -0.871 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC1(C)OCCO1 ZINC000274192489 392939637 /nfs/dbraw/zinc/93/96/37/392939637.db2.gz RLUMMCVEJVCODT-UHFFFAOYSA-N -1 0 322.364 -0.029 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cs1 ZINC000274951920 392940889 /nfs/dbraw/zinc/94/08/89/392940889.db2.gz STQSKHBYRNMMEM-ZCFIWIBFSA-N -1 0 309.321 -0.742 20 0 DBADRM Cc1c(C(=O)NC(C)(C)c2nnn[n-]2)nnn1-c1ccn(C)n1 ZINC000340743640 132175832 /nfs/dbraw/zinc/17/58/32/132175832.db2.gz SZHIWQDLCHTZMU-UHFFFAOYSA-N -1 0 316.329 -0.513 20 0 DBADRM C[C@@H](C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1)S(C)(=O)=O ZINC000532004174 392978146 /nfs/dbraw/zinc/97/81/46/392978146.db2.gz ZGGRMSAEUHUPPF-VHSXEESVSA-N -1 0 307.368 -0.098 20 0 DBADRM CS(=O)(=O)c1nc(C(=O)Nc2nnn[n-]2)c2ccccn21 ZINC000342851213 392990625 /nfs/dbraw/zinc/99/06/25/392990625.db2.gz DSDCZZRTCLGEJJ-UHFFFAOYSA-N -1 0 307.295 -0.497 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2ccnc(C(N)=O)c2)C1=O ZINC000416439272 393006169 /nfs/dbraw/zinc/00/61/69/393006169.db2.gz BPVTYKKJMZBDCI-CMPLNLGQSA-N -1 0 320.349 -0.276 20 0 DBADRM CN1CCc2ccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc21 ZINC000417437337 393045185 /nfs/dbraw/zinc/04/51/85/393045185.db2.gz HARWFWXOGUCLOF-ZDUSSCGKSA-N -1 0 314.363 -0.207 20 0 DBADRM CN1CCc2ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc21 ZINC000417437325 393045354 /nfs/dbraw/zinc/04/53/54/393045354.db2.gz HARWFWXOGUCLOF-CYBMUJFWSA-N -1 0 314.363 -0.207 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)CCCF)C1=O ZINC000417450285 393049511 /nfs/dbraw/zinc/04/95/11/393049511.db2.gz ZUCRMWMQFRKNKQ-UWVGGRQHSA-N -1 0 324.374 -0.025 20 0 DBADRM O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NC1(c2nnn[n-]2)CC1 ZINC000348811212 393170683 /nfs/dbraw/zinc/17/06/83/393170683.db2.gz NHQVXFNATAMVBC-IUCAKERBSA-N -1 0 316.321 -0.744 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000348280077 393135184 /nfs/dbraw/zinc/13/51/84/393135184.db2.gz QRNDEDIYYRMIKJ-LURJTMIESA-N -1 0 318.259 -0.284 20 0 DBADRM COC(=O)C[C@H](C)CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000348270175 393135304 /nfs/dbraw/zinc/13/53/04/393135304.db2.gz TWHYPWSFVSKLHK-ZCFIWIBFSA-N -1 0 304.328 -0.264 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NC2(c3nnn[n-]3)CC2)cs1 ZINC000348290412 393137360 /nfs/dbraw/zinc/13/73/60/393137360.db2.gz DUVRFCVEERLRQY-UHFFFAOYSA-N -1 0 314.352 -0.672 20 0 DBADRM O=C(CNC(=O)NCc1ccco1)NC1(c2nnn[n-]2)CC1 ZINC000348295090 393137637 /nfs/dbraw/zinc/13/76/37/393137637.db2.gz VDGAOKXKNSVVRW-UHFFFAOYSA-N -1 0 305.298 -0.603 20 0 DBADRM O=C(Cn1c(=O)cnc2ccccc21)NC1(c2nnn[n-]2)CC1 ZINC000348290481 393137951 /nfs/dbraw/zinc/13/79/51/393137951.db2.gz FSKKLDGMMLGCHN-UHFFFAOYSA-N -1 0 311.305 -0.285 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NC2(c3nnn[n-]3)CC2)co1 ZINC000348292541 393137979 /nfs/dbraw/zinc/13/79/79/393137979.db2.gz KSPHPUBFDBHUPZ-UHFFFAOYSA-N -1 0 312.311 -0.880 20 0 DBADRM O=C(CN1C(=O)COc2ccccc21)NC1(c2nnn[n-]2)CC1 ZINC000348297853 393139803 /nfs/dbraw/zinc/13/98/03/393139803.db2.gz MBOFBDLMSIFBQZ-UHFFFAOYSA-N -1 0 314.305 -0.269 20 0 DBADRM CCCNC(=O)[C@H](C)S(=O)(=O)c1ncc(C(=O)OC)[n-]1 ZINC000350144466 393232883 /nfs/dbraw/zinc/23/28/83/393232883.db2.gz DFNKJYFOKDZVAQ-ZETCQYMHSA-N -1 0 303.340 -0.115 20 0 DBADRM C[C@H](C(=O)NCC(F)(F)F)S(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000350219077 393235161 /nfs/dbraw/zinc/23/51/61/393235161.db2.gz LEEAASGSXSNGSK-GSVOUGTGSA-N -1 0 302.234 -0.649 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000399096035 393252090 /nfs/dbraw/zinc/25/20/90/393252090.db2.gz SPGFGPBROAEQQX-BDAKNGLRSA-N -1 0 311.338 -0.114 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCn3ncnc3C2)cc1C(=O)[O-] ZINC000349046839 393186104 /nfs/dbraw/zinc/18/61/04/393186104.db2.gz LGAVNUQZISFJHH-UHFFFAOYSA-N -1 0 311.323 -0.481 20 0 DBADRM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000349084409 393190061 /nfs/dbraw/zinc/19/00/61/393190061.db2.gz PAURUVXHTGNWRB-IAQYHMDHSA-N -1 0 323.349 -0.212 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000349657729 393210884 /nfs/dbraw/zinc/21/08/84/393210884.db2.gz RQZJGDUHDUFJTE-SNVBAGLBSA-N -1 0 309.384 -0.354 20 0 DBADRM CCOCCS(=O)(=O)NCc1nc(-c2ncc[nH]2)no1 ZINC000349750394 393216025 /nfs/dbraw/zinc/21/60/25/393216025.db2.gz ABOXSUMROLHHPL-UHFFFAOYSA-N -1 0 301.328 -0.084 20 0 DBADRM NC(=O)Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cn1 ZINC000349786607 393217138 /nfs/dbraw/zinc/21/71/38/393217138.db2.gz RGXHJFGXYARRFI-UHFFFAOYSA-N -1 0 324.318 -0.102 20 0 DBADRM COC(=O)CCC(=O)CSc1n[n-]c2nc(=O)c(C)nn12 ZINC000351648687 393296682 /nfs/dbraw/zinc/29/66/82/393296682.db2.gz GSKYIHDEXOCPOT-UHFFFAOYSA-N -1 0 311.323 -0.265 20 0 DBADRM O=C(Nc1nc(SCCO)n[nH]1)c1cccn2c(=O)[nH]nc12 ZINC000351748528 393305853 /nfs/dbraw/zinc/30/58/53/393305853.db2.gz IKHVCCPOSMPNRZ-UHFFFAOYSA-N -1 0 321.322 -0.110 20 0 DBADRM C[C@@H](CN1CCOCC1)NS(=O)(=O)[N-]CC(F)(F)F ZINC000192015266 393266230 /nfs/dbraw/zinc/26/62/30/393266230.db2.gz XZICCOAQHUEGEG-QMMMGPOBSA-N -1 0 305.322 -0.307 20 0 DBADRM NC(=O)CC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000352602172 393389274 /nfs/dbraw/zinc/38/92/74/393389274.db2.gz QLFOOPGNFBLRAD-GXFFZTMASA-N -1 0 319.317 -0.595 20 0 DBADRM Cc1nc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)n(C)n1 ZINC000352009462 393339636 /nfs/dbraw/zinc/33/96/36/393339636.db2.gz VKZKQFHTFBNLPT-UHFFFAOYSA-N -1 0 320.338 -0.678 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000352274868 393361945 /nfs/dbraw/zinc/36/19/45/393361945.db2.gz MMBXCNRSBDWHDG-MNOVXSKESA-N -1 0 312.347 -0.038 20 0 DBADRM O=C([O-])[C@@H]1COCCN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000648425764 393470209 /nfs/dbraw/zinc/47/02/09/393470209.db2.gz ORDXYARKBKBUIQ-FRRDWIJNSA-N -1 0 312.366 -0.058 20 0 DBADRM O=C([O-])[C@H]1COCCN1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000648426727 393471675 /nfs/dbraw/zinc/47/16/75/393471675.db2.gz QNCXNRUNAHMERN-GFCCVEGCSA-N -1 0 319.317 -0.243 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-]CC(F)(F)CO)C1CCOCC1 ZINC000645654042 393489429 /nfs/dbraw/zinc/48/94/29/393489429.db2.gz QLOOZAFXABYIPD-JTQLQIEISA-N -1 0 317.354 -0.025 20 0 DBADRM NC(=O)c1cccc(OCCC(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000648451039 393490509 /nfs/dbraw/zinc/49/05/09/393490509.db2.gz AKWWDPSUBWLYOA-LBPRGKRZSA-N -1 0 322.317 -0.134 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)Cn1cc(Br)cn1 ZINC000648451360 393491105 /nfs/dbraw/zinc/49/11/05/393491105.db2.gz RSHHVGAIYRLDSV-MRVPVSSYSA-N -1 0 318.127 -0.042 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000321341476 393492143 /nfs/dbraw/zinc/49/21/43/393492143.db2.gz ARBLUIVHMMBTNR-JTQLQIEISA-N -1 0 319.273 -0.113 20 0 DBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3nnc[nH]3)cc2C1=O ZINC000035685692 393502469 /nfs/dbraw/zinc/50/24/69/393502469.db2.gz PLDJDIMVQKQZKY-UHFFFAOYSA-N -1 0 307.291 -0.169 20 0 DBADRM NS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC000040384390 393504201 /nfs/dbraw/zinc/50/42/01/393504201.db2.gz IJLIFMWLSWEZCU-UHFFFAOYSA-N -1 0 317.352 -0.174 20 0 DBADRM NC(=O)[C@H](CO)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000645708300 393510130 /nfs/dbraw/zinc/51/01/30/393510130.db2.gz BTJDEUNXJJKLDT-LURJTMIESA-N -1 0 313.257 -0.775 20 0 DBADRM COc1ccnc(CNS(=O)(=O)[N-]CC(F)(F)F)n1 ZINC000425180428 393514065 /nfs/dbraw/zinc/51/40/65/393514065.db2.gz DTASBICMKRAGTK-UHFFFAOYSA-N -1 0 300.262 -0.029 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000420575504 393592876 /nfs/dbraw/zinc/59/28/76/393592876.db2.gz ZMYLFQDLWQXVKY-ZJUUUORDSA-N -1 0 316.354 -0.131 20 0 DBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2ccnn2C)n1 ZINC000424220257 393634785 /nfs/dbraw/zinc/63/47/85/393634785.db2.gz HJQNIFUBAICDMB-UHFFFAOYSA-N -1 0 314.327 -0.625 20 0 DBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)C[C@@H](C)OC)n1 ZINC000424216687 393634953 /nfs/dbraw/zinc/63/49/53/393634953.db2.gz BOPABWALMUBQHY-MRVPVSSYSA-N -1 0 306.344 -0.382 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424253736 393635985 /nfs/dbraw/zinc/63/59/85/393635985.db2.gz KWUFBALXQIUAQE-KOLCDFICSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@@H]1CCCN(C(=O)CN2CCCS2(=O)=O)[C@@H]1C(=O)[O-] ZINC000424245183 393636008 /nfs/dbraw/zinc/63/60/08/393636008.db2.gz GKSMGHQXKOFOJU-KOLCDFICSA-N -1 0 304.368 -0.266 20 0 DBADRM CC(C)c1nnc(CN2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])n1C ZINC000424254841 393636036 /nfs/dbraw/zinc/63/60/36/393636036.db2.gz HEJLEOQILFUIHD-MRVPVSSYSA-N -1 0 321.341 -0.295 20 0 DBADRM CCOC(=O)C1(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000424247301 393636109 /nfs/dbraw/zinc/63/61/09/393636109.db2.gz QOUBJVDQNKYSSF-QMMMGPOBSA-N -1 0 319.335 -0.960 20 0 DBADRM C[C@@H]1CCCN(C(=O)CCS(=O)(=O)N(C)C)[C@H]1C(=O)[O-] ZINC000424264397 393636116 /nfs/dbraw/zinc/63/61/16/393636116.db2.gz SAQNNISNWKXINH-MWLCHTKSSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C(=O)[O-] ZINC000424272329 393636169 /nfs/dbraw/zinc/63/61/69/393636169.db2.gz ZRVLUPRIXNFWGT-BXKDBHETSA-N -1 0 323.353 -0.308 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)c1cc(C2CC2)n[nH]1 ZINC000424242466 393636276 /nfs/dbraw/zinc/63/62/76/393636276.db2.gz ZXGNFQCRKIAINH-SECBINFHSA-N -1 0 318.293 -0.307 20 0 DBADRM CC(C)(CCNC(=O)N1CC[C@@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000424404094 393637991 /nfs/dbraw/zinc/63/79/91/393637991.db2.gz LGDVEAYUGYSZGA-MRVPVSSYSA-N -1 0 307.372 -0.440 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1ccoc1 ZINC000424390752 393638575 /nfs/dbraw/zinc/63/85/75/393638575.db2.gz LFPRUUOPJHXZCI-SSDOTTSWSA-N -1 0 314.279 -0.766 20 0 DBADRM CSCCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424412949 393639205 /nfs/dbraw/zinc/63/92/05/393639205.db2.gz QMFSABOGFIQCAF-QMMMGPOBSA-N -1 0 310.397 -0.367 20 0 DBADRM CCC(CC)(CNC(=O)NC[C@H](O)Cn1ccnn1)C(=O)[O-] ZINC000424422347 393639540 /nfs/dbraw/zinc/63/95/40/393639540.db2.gz FLKZQXSRPFYVLC-JTQLQIEISA-N -1 0 313.358 -0.171 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C[C@@H](CO)O1 ZINC000424475594 393642205 /nfs/dbraw/zinc/64/22/05/393642205.db2.gz BXLMRJXONWIFLR-UWVGGRQHSA-N -1 0 316.354 -0.788 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCCc1ccn(C)n1)C(=O)[O-] ZINC000424480034 393643452 /nfs/dbraw/zinc/64/34/52/393643452.db2.gz FTLLSTFFXQOCAD-NSHDSACASA-N -1 0 324.381 -0.058 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CCN(C2CC2)CC1)C(=O)[O-] ZINC000424481751 393644136 /nfs/dbraw/zinc/64/41/36/393644136.db2.gz LLJWNXCIWPKMHO-UHFFFAOYSA-N -1 0 311.382 -0.090 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)C(=O)[O-] ZINC000424479352 393644237 /nfs/dbraw/zinc/64/42/37/393644237.db2.gz DUVXLWNWVNSNFB-DCAQKATOSA-N -1 0 312.366 -0.167 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1C[C@H](O)C[C@H]1C)C(=O)[O-] ZINC000424486621 393644305 /nfs/dbraw/zinc/64/43/05/393644305.db2.gz FYZNKVRMNHLYMN-GMTAPVOTSA-N -1 0 300.355 -0.169 20 0 DBADRM Cc1noc(CNC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])n1 ZINC000424523853 393646480 /nfs/dbraw/zinc/64/64/80/393646480.db2.gz UTYJGPHYMSRSLW-SECBINFHSA-N -1 0 312.326 -0.143 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NC(C)(CO)CO)c1 ZINC000424769275 393654473 /nfs/dbraw/zinc/65/44/73/393654473.db2.gz YPDURXPATWQSSF-FQEVSTJZSA-N -1 0 301.364 -0.338 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000426691434 393672274 /nfs/dbraw/zinc/67/22/74/393672274.db2.gz HXUMPCGIMAKTDT-JTQLQIEISA-N -1 0 319.273 -0.651 20 0 DBADRM COC[C@@]1(C)CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCO1 ZINC000629898220 393732374 /nfs/dbraw/zinc/73/23/74/393732374.db2.gz BUSNFQRRVPJYMQ-LLVKDONJSA-N -1 0 302.356 -0.134 20 0 DBADRM CS(=O)(=O)NCCNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000645964582 393736811 /nfs/dbraw/zinc/73/68/11/393736811.db2.gz UUFOWPVNQZKMFY-UHFFFAOYSA-N -1 0 322.364 -0.788 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCOC[C@@H]1CCOC1 ZINC000645964800 393736955 /nfs/dbraw/zinc/73/69/55/393736955.db2.gz VKMKNSJSUIYWKT-MNOVXSKESA-N -1 0 322.383 -0.577 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCOC[C@H]1CCCO1 ZINC000645958739 393736975 /nfs/dbraw/zinc/73/69/75/393736975.db2.gz FUMSQPPOSGTANG-SNVBAGLBSA-N -1 0 310.372 -0.577 20 0 DBADRM COCCOC1CN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000645983969 393737830 /nfs/dbraw/zinc/73/78/30/393737830.db2.gz VVRKJEZBEHNLNI-UHFFFAOYSA-N -1 0 322.364 -0.123 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCS[C@H]2COCC[C@H]21 ZINC000645990499 393738637 /nfs/dbraw/zinc/73/86/37/393738637.db2.gz CFWYYQFAECBLDK-ZJUUUORDSA-N -1 0 324.424 -0.156 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CC[C@]2(CCOC2)C1 ZINC000645988603 393738994 /nfs/dbraw/zinc/73/89/94/393738994.db2.gz YMPQXSQXOGUTLR-PWSUYJOCSA-N -1 0 304.368 -0.107 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCCO[C@@H]1CCOC1 ZINC000645987964 393739002 /nfs/dbraw/zinc/73/90/02/393739002.db2.gz DFYWONHMOGXIAJ-SNVBAGLBSA-N -1 0 310.372 -0.577 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@]2(CCOC2)O1 ZINC000645991492 393739020 /nfs/dbraw/zinc/73/90/20/393739020.db2.gz PYJQKBSNFPHIKH-PWSUYJOCSA-N -1 0 322.383 -0.483 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCCO[C@H]1CCOC1 ZINC000645987963 393739045 /nfs/dbraw/zinc/73/90/45/393739045.db2.gz DFYWONHMOGXIAJ-JTQLQIEISA-N -1 0 310.372 -0.577 20 0 DBADRM Cn1nncc1S(=O)(=O)NC1(C(=O)[O-])Cc2ccccc2C1 ZINC000646007307 393739482 /nfs/dbraw/zinc/73/94/82/393739482.db2.gz SBBUARPBQXGPDE-UHFFFAOYSA-N -1 0 322.346 -0.284 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-] ZINC000646029263 393741913 /nfs/dbraw/zinc/74/19/13/393741913.db2.gz OMRSQPYHCFIFHG-NSHDSACASA-N -1 0 303.340 -0.260 20 0 DBADRM Cn1nncc1S(=O)(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000646025960 393742006 /nfs/dbraw/zinc/74/20/06/393742006.db2.gz PFVDBSVGOCPEQX-SNVBAGLBSA-N -1 0 310.335 -0.038 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)CC[C@H]1CCOC1 ZINC000646042283 393742561 /nfs/dbraw/zinc/74/25/61/393742561.db2.gz ARADRIQNVSCQEF-GHMZBOCLSA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)CC[C@H]2CCOC2)CCOCC1 ZINC000646045919 393746745 /nfs/dbraw/zinc/74/67/45/393746745.db2.gz MFQQNQBABFHQDD-SNVBAGLBSA-N -1 0 307.368 -0.034 20 0 DBADRM CO[C@H](CS(=O)(=O)NC1(C(=O)[O-])CCOCC1)C1CC1 ZINC000646045732 393747126 /nfs/dbraw/zinc/74/71/26/393747126.db2.gz HQJVYJWDHXYDIE-SNVBAGLBSA-N -1 0 307.368 -0.035 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000479470268 393754191 /nfs/dbraw/zinc/75/41/91/393754191.db2.gz INPHIVHQTPBYTN-UHFFFAOYSA-N -1 0 301.372 -0.025 20 0 DBADRM COC[C@@](C)(O)CCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646159432 393755479 /nfs/dbraw/zinc/75/54/79/393755479.db2.gz GFAQJMPRGTYRJO-ZDUSSCGKSA-N -1 0 318.370 -0.046 20 0 DBADRM C[C@H]1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)C[C@H]1C(=O)[O-] ZINC000646154722 393755526 /nfs/dbraw/zinc/75/55/26/393755526.db2.gz CCDWUFBZIZMAQV-VHSXEESVSA-N -1 0 323.353 -0.108 20 0 DBADRM O=C([O-])C1(CNC(=O)NC[C@@H]2CCCC(=O)N2)CCOCC1 ZINC000646156506 393755528 /nfs/dbraw/zinc/75/55/28/393755528.db2.gz CNATUGWTEYTZSJ-JTQLQIEISA-N -1 0 313.354 -0.164 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)C1 ZINC000646180667 393756913 /nfs/dbraw/zinc/75/69/13/393756913.db2.gz UXSOEIYQSUIMHY-RCWTZXSCSA-N -1 0 311.338 -0.461 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000429239958 393690412 /nfs/dbraw/zinc/69/04/12/393690412.db2.gz RZNRIJVYIYMSMD-VIFPVBQESA-N -1 0 320.367 -0.075 20 0 DBADRM O=C(NCCCS(=O)(=O)c1n[nH]c(=O)[n-]1)C1CCCC1 ZINC000429905723 393701139 /nfs/dbraw/zinc/70/11/39/393701139.db2.gz UOXZMTHGBGGUIH-UHFFFAOYSA-N -1 0 302.356 -0.020 20 0 DBADRM COCCc1nc(=NCC2CN(S(C)(=O)=O)C2)s[n-]1 ZINC000490037017 393783382 /nfs/dbraw/zinc/78/33/82/393783382.db2.gz XGKRPCDITUDUFU-UHFFFAOYSA-N -1 0 306.413 -0.548 20 0 DBADRM COC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCCC2)C1 ZINC000491178310 393804632 /nfs/dbraw/zinc/80/46/32/393804632.db2.gz GXZFHXGGLIRGFS-SNVBAGLBSA-N -1 0 319.383 -0.078 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000491274559 393808074 /nfs/dbraw/zinc/80/80/74/393808074.db2.gz WJXNDFJHXKGBNF-UHFFFAOYSA-N -1 0 307.372 -0.031 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C(N)=O)C(C)C ZINC000231514952 292037625 /nfs/dbraw/zinc/03/76/25/292037625.db2.gz RFWFTJGIWXYBLG-ZCFIWIBFSA-N -1 0 321.380 -0.282 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)C ZINC000134677849 292037572 /nfs/dbraw/zinc/03/75/72/292037572.db2.gz JKMBUQQZPARMNA-LURJTMIESA-N -1 0 321.380 -0.315 20 0 DBADRM COC(C)(C)CS(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000263462025 292059020 /nfs/dbraw/zinc/05/90/20/292059020.db2.gz DYBPUUOVBUJUEC-SECBINFHSA-N -1 0 324.399 -0.348 20 0 DBADRM CCOC(=O)CC[C@H](C)NC(=O)C(=O)N(C)CCC(=O)[O-] ZINC000420574969 285718790 /nfs/dbraw/zinc/71/87/90/285718790.db2.gz WNVICLDKPSAJNJ-VIFPVBQESA-N -1 0 302.327 -0.233 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000428576584 299687087 /nfs/dbraw/zinc/68/70/87/299687087.db2.gz WIYJWOOJQZWMPC-ZETCQYMHSA-N -1 0 317.305 -0.261 20 0 DBADRM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)[N-]OCC(N)=O)C2=O ZINC000271402707 299815865 /nfs/dbraw/zinc/81/58/65/299815865.db2.gz NAYUJIMEZISKSS-SDBXPKJASA-N -1 0 312.326 -0.980 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655244193 411635878 /nfs/dbraw/zinc/63/58/78/411635878.db2.gz OCBYJGFFXWABKO-GARJFASQSA-N -1 0 324.381 -0.287 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC000650229650 411637395 /nfs/dbraw/zinc/63/73/95/411637395.db2.gz GPDRSVGXAGKQRM-UHFFFAOYSA-N -1 0 319.360 -0.180 20 0 DBADRM Cc1nc(=NC(=O)N2CCN(Cc3nc[nH]n3)CC2)[n-]n1C ZINC000650214760 411637561 /nfs/dbraw/zinc/63/75/61/411637561.db2.gz GDJIZACJQPVUPY-UHFFFAOYSA-N -1 0 305.346 -0.987 20 0 DBADRM Cc1nn2c(SCC(=O)c3ccnn3C)n[n-]c2nc1=O ZINC000655487427 411716674 /nfs/dbraw/zinc/71/66/74/411716674.db2.gz DZPCTDNDYJVKSZ-UHFFFAOYSA-N -1 0 305.323 -0.170 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC000650291414 411657050 /nfs/dbraw/zinc/65/70/50/411657050.db2.gz RHMWVZUBLIYHLB-ZWNOBZJWSA-N -1 0 316.379 -0.052 20 0 DBADRM CO[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000662911733 411658447 /nfs/dbraw/zinc/65/84/47/411658447.db2.gz HOZVARSUTXBLSG-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000558591997 411663719 /nfs/dbraw/zinc/66/37/19/411663719.db2.gz JXSNNAJVBNKCEN-ZCFIWIBFSA-N -1 0 308.278 -0.195 20 0 DBADRM C[C@H](C(=O)[O-])C1(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000650426608 411664230 /nfs/dbraw/zinc/66/42/30/411664230.db2.gz OJPLULDHICHZCD-SSDOTTSWSA-N -1 0 315.351 -0.344 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)C1(C(=O)[O-])CC=CC1 ZINC000663081747 411670107 /nfs/dbraw/zinc/67/01/07/411670107.db2.gz GOLSSRZIDRTGLS-UHFFFAOYSA-N -1 0 304.368 -0.147 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)CC(=O)NCCCN(C)S(C)(=O)=O ZINC000650515992 411670663 /nfs/dbraw/zinc/67/06/63/411670663.db2.gz MHTKIFOMBCWRFE-SNVBAGLBSA-N -1 0 323.415 -0.821 20 0 DBADRM O=C([O-])[C@@H]1N(S(=O)(=O)[C@@H]2CCOC2)CC12CCOCC2 ZINC000663287600 411671793 /nfs/dbraw/zinc/67/17/93/411671793.db2.gz KRXBAHHEKBAILM-ZJUUUORDSA-N -1 0 305.352 -0.329 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000036972817 411671812 /nfs/dbraw/zinc/67/18/12/411671812.db2.gz JJDUKEPVWYAFCL-NSHDSACASA-N -1 0 318.395 -0.019 20 0 DBADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(F)c1 ZINC000036969487 411672157 /nfs/dbraw/zinc/67/21/57/411672157.db2.gz ISIXWFGPPVALLN-VIFPVBQESA-N -1 0 320.298 -0.492 20 0 DBADRM C[C@]1(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCS(=O)(=O)C1 ZINC000037019736 411672175 /nfs/dbraw/zinc/67/21/75/411672175.db2.gz SDFNNSNNIRFNJD-JTQLQIEISA-N -1 0 322.364 -0.432 20 0 DBADRM CC[C@H]1COC(C)(C)CN1C(=O)C(=O)N=c1nc(C)n(C)[n-]1 ZINC000651985026 411673279 /nfs/dbraw/zinc/67/32/79/411673279.db2.gz AHRUYIQQPIHRRK-JTQLQIEISA-N -1 0 309.370 -0.100 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N=c2nc(C)n(C)[n-]2)[C@@H](CC)CO1 ZINC000651987565 411673949 /nfs/dbraw/zinc/67/39/49/411673949.db2.gz DWGRGRUFZCEZLZ-WDEREUQCSA-N -1 0 309.370 -0.100 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N=c2nc(C)n(C)[n-]2)[C@H](CC)CO1 ZINC000651987562 411675132 /nfs/dbraw/zinc/67/51/32/411675132.db2.gz DWGRGRUFZCEZLZ-GHMZBOCLSA-N -1 0 309.370 -0.100 20 0 DBADRM CNC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037838946 411680211 /nfs/dbraw/zinc/68/02/11/411680211.db2.gz WKBMHJBQEADOLI-SNVBAGLBSA-N -1 0 319.383 -0.762 20 0 DBADRM C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659058325 411688609 /nfs/dbraw/zinc/68/86/09/411688609.db2.gz MXIPNGCGLZMYQT-RKDXNWHRSA-N -1 0 324.337 -0.377 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659060287 411688760 /nfs/dbraw/zinc/68/87/60/411688760.db2.gz YEZRPSJGHMJGSL-DTWKUNHWSA-N -1 0 307.306 -0.052 20 0 DBADRM Cc1cccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659067168 411689264 /nfs/dbraw/zinc/68/92/64/411689264.db2.gz YDXOBARAFOMLGX-MEBBXXQBSA-N -1 0 319.317 -0.112 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659060288 411689269 /nfs/dbraw/zinc/68/92/69/411689269.db2.gz YEZRPSJGHMJGSL-IUCAKERBSA-N -1 0 307.306 -0.052 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)c2cn(C(C)(C)C)nn2)[n-]n1 ZINC000650818241 411690002 /nfs/dbraw/zinc/69/00/02/411690002.db2.gz BMCPIKNZGSSFGU-UHFFFAOYSA-N -1 0 303.326 -0.143 20 0 DBADRM CCCN1C[C@@H](C(=O)N=c2ccc(C(=O)NC)n[n-]2)CC1=O ZINC000650819387 411690116 /nfs/dbraw/zinc/69/01/16/411690116.db2.gz SAHGSDXGYMIMKP-VIFPVBQESA-N -1 0 305.338 -0.545 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)CCCN2C(=O)CCC2=O)[n-]n1 ZINC000650816263 411690200 /nfs/dbraw/zinc/69/02/00/411690200.db2.gz PUUOGJNWBGDLAR-UHFFFAOYSA-N -1 0 319.321 -0.874 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)CCCCCNC(C)=O)[n-]n1 ZINC000650814374 411690228 /nfs/dbraw/zinc/69/02/28/411690228.db2.gz MMFVZFIUTAUYGX-UHFFFAOYSA-N -1 0 307.354 -0.107 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@H]2CCc3ncncc3C2)[n-]n1 ZINC000650819033 411690625 /nfs/dbraw/zinc/69/06/25/411690625.db2.gz GGXWDSJXNGIKFA-VIFPVBQESA-N -1 0 312.333 -0.208 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)CS(=O)(=O)CC(C)C)[n-]n1 ZINC000650816226 411690927 /nfs/dbraw/zinc/69/09/27/411690927.db2.gz OSDHHTWVTFASNR-UHFFFAOYSA-N -1 0 314.367 -0.733 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)c2cn(CC3CC3)nn2)[n-]n1 ZINC000650819129 411691062 /nfs/dbraw/zinc/69/10/62/411691062.db2.gz JDXHVUFGYMIOAK-UHFFFAOYSA-N -1 0 301.310 -0.488 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@H](C(C)C)N2CCCC2=O)[n-]n1 ZINC000650816913 411691069 /nfs/dbraw/zinc/69/10/69/411691069.db2.gz LXLSXEDXGMTQTE-CYBMUJFWSA-N -1 0 319.365 -0.156 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)COCc2cc(C)no2)[n-]n1 ZINC000650818240 411691168 /nfs/dbraw/zinc/69/11/68/411691168.db2.gz BJSMKSSLMUPEJT-UHFFFAOYSA-N -1 0 305.294 -0.290 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N=c1ccc(C(=O)NC)n[n-]1 ZINC000650816847 411691181 /nfs/dbraw/zinc/69/11/81/411691181.db2.gz JMMXBLOFXPOLBQ-SECBINFHSA-N -1 0 323.378 -0.492 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N=c2ccc(C(=O)NC)n[n-]2)C1 ZINC000650817555 411691221 /nfs/dbraw/zinc/69/12/21/411691221.db2.gz GXYLFMXXQGSSSR-SECBINFHSA-N -1 0 305.338 -0.545 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000653316576 411738553 /nfs/dbraw/zinc/73/85/53/411738553.db2.gz RFJZHJOSPLENLE-PSASIEDQSA-N -1 0 319.383 -0.634 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)CC1(n2cnnn2)CCOCC1 ZINC000659149556 411741335 /nfs/dbraw/zinc/74/13/35/411741335.db2.gz DDIVPFRVRPKCBS-SNVBAGLBSA-N -1 0 309.326 -0.356 20 0 DBADRM O=C([O-])CC1(NC(=O)Cn2nc3n(c2=O)CCCC3)CCC1 ZINC000653321150 411741667 /nfs/dbraw/zinc/74/16/67/411741667.db2.gz CMCSQXKVFQJSDV-UHFFFAOYSA-N -1 0 308.338 -0.105 20 0 DBADRM Cc1nc(C(=O)NC2(CC(=O)[O-])CCC2)nn1-c1nc[nH]n1 ZINC000653321294 411741807 /nfs/dbraw/zinc/74/18/07/411741807.db2.gz JQQDOBSYIDPLMB-UHFFFAOYSA-N -1 0 305.298 -0.179 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)NCCN2CCCCC2)[n-]1 ZINC000651499108 411751171 /nfs/dbraw/zinc/75/11/71/411751171.db2.gz FCMAXPMGYGNBRC-UHFFFAOYSA-N -1 0 308.386 -0.179 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652055496 411753436 /nfs/dbraw/zinc/75/34/36/411753436.db2.gz DBPCIELRPRPKFK-VHSXEESVSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000652066334 411753455 /nfs/dbraw/zinc/75/34/55/411753455.db2.gz HCMRFHJHMNICBS-VHSXEESVSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652056628 411753559 /nfs/dbraw/zinc/75/35/59/411753559.db2.gz CEDWFOMNQZRFIH-NEPJUHHUSA-N -1 0 324.358 -0.111 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)N2)s1 ZINC000652073372 411753643 /nfs/dbraw/zinc/75/36/43/411753643.db2.gz CJMOHNRPJJKJDY-ZETCQYMHSA-N -1 0 304.349 -0.246 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)c2ccccc21 ZINC000652067842 411753753 /nfs/dbraw/zinc/75/37/53/411753753.db2.gz JHYUKVCWZVQQCD-VHSXEESVSA-N -1 0 310.331 -0.107 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CCc2ccccc21 ZINC000652055812 411753855 /nfs/dbraw/zinc/75/38/55/411753855.db2.gz NJQCOFFRTUQXDX-FZMZJTMJSA-N -1 0 324.358 -0.279 20 0 DBADRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000652066333 411753871 /nfs/dbraw/zinc/75/38/71/411753871.db2.gz HCMRFHJHMNICBS-UWVGGRQHSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)[C@@H]2CCS(=O)(=O)N2)c1 ZINC000652058710 411753897 /nfs/dbraw/zinc/75/38/97/411753897.db2.gz CGGUSJVCXSAVRI-JTQLQIEISA-N -1 0 314.319 -0.220 20 0 DBADRM C[C@]1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CCCC[C@H]1C(=O)[O-] ZINC000652067487 411753950 /nfs/dbraw/zinc/75/39/50/411753950.db2.gz ZWRHMGNBMNZSIA-AUTRQRHGSA-N -1 0 304.368 -0.172 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000652070282 411754042 /nfs/dbraw/zinc/75/40/42/411754042.db2.gz QGGOKCBDVPNRMN-SKDRFNHKSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])CCC1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000652065015 411754172 /nfs/dbraw/zinc/75/41/72/411754172.db2.gz JFHRLEIKQHDLJI-JTQLQIEISA-N -1 0 304.368 -0.219 20 0 DBADRM CC(C)C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)CC(=O)[O-] ZINC000652089721 411757061 /nfs/dbraw/zinc/75/70/61/411757061.db2.gz JFAMWVOWHLVRJC-UWVGGRQHSA-N -1 0 306.384 -0.069 20 0 DBADRM O=C([O-])CN(CC1CC1)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000653324229 411757098 /nfs/dbraw/zinc/75/70/98/411757098.db2.gz MCYGBRGNBYQFRH-UHFFFAOYSA-N -1 0 308.338 -0.296 20 0 DBADRM COC1(C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)C(=O)[O-])CCC1 ZINC000652106258 411757104 /nfs/dbraw/zinc/75/71/04/411757104.db2.gz DHYLIQBWBHGCAW-DTWKUNHWSA-N -1 0 307.368 -0.052 20 0 DBADRM COC1(C[C@@H](NC(=O)CS(=O)(=O)N(C)C)C(=O)[O-])CCC1 ZINC000652111108 411758455 /nfs/dbraw/zinc/75/84/55/411758455.db2.gz ONLCHLNPGOKZNP-SECBINFHSA-N -1 0 322.383 -0.594 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N(CC(=O)[O-])CC1CC1 ZINC000653324394 411758867 /nfs/dbraw/zinc/75/88/67/411758867.db2.gz RJBYZFDOGSUPGS-UHFFFAOYSA-N -1 0 317.305 -0.235 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCSC[C@H]2CO)[n-]1 ZINC000651714025 411770578 /nfs/dbraw/zinc/77/05/78/411770578.db2.gz NCTCRWUWPLXSNM-SECBINFHSA-N -1 0 313.383 -0.844 20 0 DBADRM CC(C)[C@@H]1C(=O)NCCN1C(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651704281 411770889 /nfs/dbraw/zinc/77/08/89/411770889.db2.gz BNYUELOWXXQMGF-SNVBAGLBSA-N -1 0 322.369 -0.798 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])CC2CC2)o1 ZINC000653325681 411771028 /nfs/dbraw/zinc/77/10/28/411771028.db2.gz IOUSCNURQVYGNW-UHFFFAOYSA-N -1 0 302.308 -0.136 20 0 DBADRM CCN1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)[C@@H](C)C1 ZINC000651790300 411775154 /nfs/dbraw/zinc/77/51/54/411775154.db2.gz QNRKRYIEERNLSA-NSHDSACASA-N -1 0 308.386 -0.228 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)NC[C@]2(O)CCC[C@H]2C)[n-]1 ZINC000651827201 411777775 /nfs/dbraw/zinc/77/77/75/411777775.db2.gz XYUARIKLXKENPU-QMTHXVAHSA-N -1 0 309.370 -0.113 20 0 DBADRM O=C(CC(=O)NCC(F)(F)F)NCCCc1cc(=O)[nH][nH]1 ZINC000647717611 411794026 /nfs/dbraw/zinc/79/40/26/411794026.db2.gz LNKGZKGDXQBCTR-UHFFFAOYSA-N -1 0 308.260 -0.173 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CC3CC2(C(=O)[O-])C3)o1 ZINC000659177884 411786052 /nfs/dbraw/zinc/78/60/52/411786052.db2.gz HQZRSGMZBUYZOD-UHFFFAOYSA-N -1 0 314.319 -0.123 20 0 DBADRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)[C@H]1CCS(=O)(=O)N1 ZINC000652011827 411721209 /nfs/dbraw/zinc/72/12/09/411721209.db2.gz UZVJHRYZGZVGQV-SECBINFHSA-N -1 0 323.334 -0.193 20 0 DBADRM Cc1nn2c(SCC(=O)c3cn(C)nn3)n[n-]c2nc1=O ZINC000651189807 411723633 /nfs/dbraw/zinc/72/36/33/411723633.db2.gz SBXXZMGARADHRH-UHFFFAOYSA-N -1 0 306.311 -0.775 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653330197 411809818 /nfs/dbraw/zinc/80/98/18/411809818.db2.gz BJUZEZSOFHZQLV-WDEREUQCSA-N -1 0 312.347 -0.035 20 0 DBADRM Cn1cc(CNC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)nn1 ZINC000652655482 411810155 /nfs/dbraw/zinc/81/01/55/411810155.db2.gz FZWCKQVQHVMMGY-VIFPVBQESA-N -1 0 309.326 -0.855 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC3(F)F)C2)CCO1 ZINC000652660944 411810558 /nfs/dbraw/zinc/81/05/58/411810558.db2.gz YJIUCMMYQAUSAV-PELKAZGASA-N -1 0 318.276 -0.444 20 0 DBADRM CCN(CC(=O)N1CCN(C(=O)C2CC2)CC1)[C@H](C)C(=O)[O-] ZINC000662214801 411816268 /nfs/dbraw/zinc/81/62/68/411816268.db2.gz GVNDZDXLUXAQQE-LLVKDONJSA-N -1 0 311.382 -0.138 20 0 DBADRM Cc1nn(CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(=O)n1C ZINC000655540626 411816902 /nfs/dbraw/zinc/81/69/02/411816902.db2.gz HYHVWZQUEMVXHB-LLVKDONJSA-N -1 0 310.354 -0.006 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC000655545293 411818107 /nfs/dbraw/zinc/81/81/07/411818107.db2.gz BMQPDADLOJAGSX-JOYOIKCWSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C(NC[C@@]1(CO)CCc2ccccc21)c1n[nH]c(=O)[n-]c1=O ZINC000652704207 411819908 /nfs/dbraw/zinc/81/99/08/411819908.db2.gz HKZAOGLGXRETMT-OAHLLOKOSA-N -1 0 316.317 -0.111 20 0 DBADRM COCC[C@@H](COC)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659405379 411822080 /nfs/dbraw/zinc/82/20/80/411822080.db2.gz XIFYADBXJPOWOJ-UHIISALHSA-N -1 0 316.354 -0.220 20 0 DBADRM C[C@](CCF)(NC(=O)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000659215360 411822202 /nfs/dbraw/zinc/82/22/02/411822202.db2.gz MHDQDZDHRVZDPP-LLVKDONJSA-N -1 0 310.347 -0.269 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCCCCC(=O)[O-] ZINC000659407282 411822887 /nfs/dbraw/zinc/82/28/87/411822887.db2.gz ZRTDRUASJKXGHR-ZJUUUORDSA-N -1 0 322.383 -0.257 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000659225788 411824845 /nfs/dbraw/zinc/82/48/45/411824845.db2.gz SCEINRGXXSMXNX-UHFFFAOYSA-N -1 0 318.355 -0.467 20 0 DBADRM C[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1)C(=O)[O-] ZINC000653492248 411866433 /nfs/dbraw/zinc/86/64/33/411866433.db2.gz CMAQWOWQOAOONX-SSDOTTSWSA-N -1 0 311.319 -0.078 20 0 DBADRM CC(C)[C@H](CNC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000655569914 411834880 /nfs/dbraw/zinc/83/48/80/411834880.db2.gz RJNIUIJLGUSFHQ-JTQLQIEISA-N -1 0 321.399 -0.625 20 0 DBADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655562216 411834996 /nfs/dbraw/zinc/83/49/96/411834996.db2.gz PZHPFPHWZVECMH-RXMQYKEDSA-N -1 0 304.324 -0.006 20 0 DBADRM C[C@H](NC(=O)CN1CC(=O)NC1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655581446 411836342 /nfs/dbraw/zinc/83/63/42/411836342.db2.gz ZAPUYPADQUEHEI-XHNCKOQMSA-N -1 0 311.338 -0.210 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000655599131 411836732 /nfs/dbraw/zinc/83/67/32/411836732.db2.gz KKSYZICOGHCJGI-JTQLQIEISA-N -1 0 315.351 -0.867 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000655596757 411837010 /nfs/dbraw/zinc/83/70/10/411837010.db2.gz JOCUYWWHZVETQB-NSHDSACASA-N -1 0 309.322 -0.702 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-] ZINC000659245038 411837040 /nfs/dbraw/zinc/83/70/40/411837040.db2.gz TYWKJBUYENTMPN-URPMGSGRSA-N -1 0 304.368 -0.507 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N(CC(=O)[O-])C1CCC1 ZINC000655591213 411837161 /nfs/dbraw/zinc/83/71/61/411837161.db2.gz ZIGPTNVUCXNTPT-UHFFFAOYSA-N -1 0 322.383 -0.592 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000054051414 411847502 /nfs/dbraw/zinc/84/75/02/411847502.db2.gz SGXOBEPONMGUKU-VIFPVBQESA-N -1 0 300.336 -0.104 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCc2nccnc2C1)C(=O)[O-] ZINC000659660474 411858912 /nfs/dbraw/zinc/85/89/12/411858912.db2.gz AZVKLRDQTLFQBI-JTQLQIEISA-N -1 0 320.349 -0.166 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1(F)F ZINC000659662720 411859575 /nfs/dbraw/zinc/85/95/75/411859575.db2.gz BPJJUJCKOXOWMV-HQJQHLMTSA-N -1 0 306.265 -0.540 20 0 DBADRM C[C@]12COC[C@H]1CN(C(=O)C(=O)NCC1(C(=O)[O-])CCC1)C2 ZINC000659671632 411860001 /nfs/dbraw/zinc/86/00/01/411860001.db2.gz HGCIIIGZFHCIIU-YGRLFVJLSA-N -1 0 310.350 -0.148 20 0 DBADRM CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659668591 411860005 /nfs/dbraw/zinc/86/00/05/411860005.db2.gz ZNMQCYUGUTXDQA-QWRGUYRKSA-N -1 0 312.366 -0.023 20 0 DBADRM CCN(C(=O)c1ccc(S(=O)(=O)NC)nc1)[C@H](C)C(=O)[O-] ZINC000659770994 411888008 /nfs/dbraw/zinc/88/80/08/411888008.db2.gz QIDNXKRPUJKJSW-MRVPVSSYSA-N -1 0 315.351 -0.075 20 0 DBADRM CCN(C(=O)CNS(=O)(=O)CCCOC)[C@H](C)C(=O)[O-] ZINC000659772431 411888215 /nfs/dbraw/zinc/88/82/15/411888215.db2.gz ZHZRBIIBBFPOKX-SECBINFHSA-N -1 0 310.372 -0.736 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)NCC1(C(=O)[O-])CCC1 ZINC000659785274 411890164 /nfs/dbraw/zinc/89/01/64/411890164.db2.gz OFLAYPQVBVETTQ-UHFFFAOYSA-N -1 0 308.338 -0.248 20 0 DBADRM COC[C@H](NC(=O)NCc1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC000653531363 411876816 /nfs/dbraw/zinc/87/68/16/411876816.db2.gz JDAPCEIFEYIDRO-ZETCQYMHSA-N -1 0 300.319 -0.673 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000653558234 411880419 /nfs/dbraw/zinc/88/04/19/411880419.db2.gz SBHWYRATYMLCFQ-VIFPVBQESA-N -1 0 308.356 -0.982 20 0 DBADRM Cc1nn(CC(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c(=O)n1C ZINC000655041717 411963874 /nfs/dbraw/zinc/96/38/74/411963874.db2.gz WHCPFZHMPRHLSZ-UHFFFAOYSA-N -1 0 321.341 -0.880 20 0 DBADRM CS(=O)(=O)N1CC(CNS(=O)(=O)c2ccccc2[O-])C1 ZINC000656965408 412019340 /nfs/dbraw/zinc/01/93/40/412019340.db2.gz MCEMKFIPXNYALX-UHFFFAOYSA-N -1 0 320.392 -0.438 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CC3(CC3(F)F)C2)c1 ZINC000655187591 411974124 /nfs/dbraw/zinc/97/41/24/411974124.db2.gz WIQJMUDDAMQEQP-UHFFFAOYSA-N -1 0 320.321 -0.434 20 0 DBADRM CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2[O-])CCO1 ZINC000656956477 412019513 /nfs/dbraw/zinc/01/95/13/412019513.db2.gz IJAMJAHRQYDFFN-JTQLQIEISA-N -1 0 300.336 -0.472 20 0 DBADRM CC[C@@H](NC(=O)NC[C@H](C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000655871014 411975364 /nfs/dbraw/zinc/97/53/64/411975364.db2.gz ARESFDXITNHKEO-VHSXEESVSA-N -1 0 301.343 -0.356 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CCO1 ZINC000655892638 411975970 /nfs/dbraw/zinc/97/59/70/411975970.db2.gz DCKOTTAWYZASHK-NEPJUHHUSA-N -1 0 315.370 -0.110 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000655882899 411976138 /nfs/dbraw/zinc/97/61/38/411976138.db2.gz REHFPEUWZQEPBC-WDEREUQCSA-N -1 0 322.369 -0.100 20 0 DBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000655884575 411976508 /nfs/dbraw/zinc/97/65/08/411976508.db2.gz NFRDHQBAWVRAOC-IJLUTSLNSA-N -1 0 318.370 -0.238 20 0 DBADRM COCCN(C(=O)NC[C@@H](C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000655889572 411976551 /nfs/dbraw/zinc/97/65/51/411976551.db2.gz SOIOVDVHQRKVIG-ZJUUUORDSA-N -1 0 322.383 -0.448 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000655886669 411976574 /nfs/dbraw/zinc/97/65/74/411976574.db2.gz DMMKVTXZEIRNMC-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM COCC(=O)N1CCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000655890346 411976588 /nfs/dbraw/zinc/97/65/88/411976588.db2.gz GHLMONKROXGXAT-LLVKDONJSA-N -1 0 315.370 -0.157 20 0 DBADRM C[C@@H](CNC(=O)NCc1ccccc1S(N)(=O)=O)C(=O)[O-] ZINC000655880092 411976648 /nfs/dbraw/zinc/97/66/48/411976648.db2.gz WCSXLDKGCQJJOU-QMMMGPOBSA-N -1 0 315.351 -0.146 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000655895004 411976732 /nfs/dbraw/zinc/97/67/32/411976732.db2.gz PBWZWRRXFZOTCB-VHSXEESVSA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CC[C@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000655897280 411978252 /nfs/dbraw/zinc/97/82/52/411978252.db2.gz MEUSDNSETBAAGI-IUCAKERBSA-N -1 0 307.372 -0.584 20 0 DBADRM CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000655943766 411979969 /nfs/dbraw/zinc/97/99/69/411979969.db2.gz TUMBBCPNQXYOSY-MRVPVSSYSA-N -1 0 307.306 -0.178 20 0 DBADRM CC(C)n1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000655938133 411980697 /nfs/dbraw/zinc/98/06/97/411980697.db2.gz NLPADMWYVKSPSW-SNVBAGLBSA-N -1 0 310.310 -0.286 20 0 DBADRM COc1ccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1O ZINC000655980298 411981443 /nfs/dbraw/zinc/98/14/43/411981443.db2.gz RIQZFDXPUUOHRF-MRVPVSSYSA-N -1 0 310.306 -0.146 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCn1cnc2ccccc21)C(=O)[O-] ZINC000655977077 411981767 /nfs/dbraw/zinc/98/17/67/411981767.db2.gz BTQPEOPJZWJRAC-JTQLQIEISA-N -1 0 318.333 -0.011 20 0 DBADRM Cc1nccn1C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655979886 411981800 /nfs/dbraw/zinc/98/18/00/411981800.db2.gz BZJNFBDRCQZNPX-VHSXEESVSA-N -1 0 310.354 -0.219 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCn1cnc2ccccc21)C(=O)[O-] ZINC000655977078 411981875 /nfs/dbraw/zinc/98/18/75/411981875.db2.gz BTQPEOPJZWJRAC-SNVBAGLBSA-N -1 0 318.333 -0.011 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000655978824 411982080 /nfs/dbraw/zinc/98/20/80/411982080.db2.gz VMLKAHLWOYJXSJ-SECBINFHSA-N -1 0 322.317 -0.089 20 0 DBADRM CCOc1ncccc1CNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655979189 411982226 /nfs/dbraw/zinc/98/22/26/411982226.db2.gz ANQVJIIJAUAVOY-VIFPVBQESA-N -1 0 309.322 -0.067 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCOC[C@@H]1CCCO1)C(=O)[O-] ZINC000655983835 411982250 /nfs/dbraw/zinc/98/22/50/411982250.db2.gz PAPDRUCBBVDBKX-UWVGGRQHSA-N -1 0 302.327 -0.865 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655980505 411982330 /nfs/dbraw/zinc/98/23/30/411982330.db2.gz HBLITTJBDQWOFO-IUCAKERBSA-N -1 0 301.343 -0.756 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)Cn1ccnc1)C(=O)[O-] ZINC000655980426 411982469 /nfs/dbraw/zinc/98/24/69/411982469.db2.gz FDNOOXAIMGSRLY-WDEREUQCSA-N -1 0 310.354 -0.139 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCOC[C@H]1CCCO1)C(=O)[O-] ZINC000655983834 411982480 /nfs/dbraw/zinc/98/24/80/411982480.db2.gz PAPDRUCBBVDBKX-NXEZZACHSA-N -1 0 302.327 -0.865 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N[C@H]1COc2ccccc2C1)C(=O)[O-] ZINC000655981586 411982487 /nfs/dbraw/zinc/98/24/87/411982487.db2.gz NFVCGDUBJJHRDT-GXSJLCMTSA-N -1 0 306.318 -0.057 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)nc1)C(=O)[O-] ZINC000655979198 411982519 /nfs/dbraw/zinc/98/25/19/411982519.db2.gz ARQBMNGRCBEQQO-VIFPVBQESA-N -1 0 308.338 -0.399 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655993545 411982880 /nfs/dbraw/zinc/98/28/80/411982880.db2.gz NMBFAVKZIRFHQS-QMMMGPOBSA-N -1 0 301.343 -0.898 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000655989225 411982900 /nfs/dbraw/zinc/98/29/00/411982900.db2.gz WOZGUTSGJWCPSC-IUCAKERBSA-N -1 0 322.383 -0.991 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1)C(=O)[O-] ZINC000655986595 411982921 /nfs/dbraw/zinc/98/29/21/411982921.db2.gz GICNVDHXNSGJNI-QWRGUYRKSA-N -1 0 322.365 -0.144 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCCOC1CCOCC1)C(=O)[O-] ZINC000655991456 411982944 /nfs/dbraw/zinc/98/29/44/411982944.db2.gz VODKSSJKVQOVNA-JTQLQIEISA-N -1 0 316.354 -0.475 20 0 DBADRM Cc1c(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)cnn1C ZINC000655989448 411982965 /nfs/dbraw/zinc/98/29/65/411982965.db2.gz ZXNQHPZJWQQFOE-NSHDSACASA-N -1 0 310.354 -0.182 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1)C(=O)[O-] ZINC000655988674 411983068 /nfs/dbraw/zinc/98/30/68/411983068.db2.gz SSLKENOMXPMJIC-NXEZZACHSA-N -1 0 313.354 -0.804 20 0 DBADRM CC(C)C[C@@H](CCO)CNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655993050 411983092 /nfs/dbraw/zinc/98/30/92/411983092.db2.gz KITQZBWDDHKGMN-WDEREUQCSA-N -1 0 302.371 -0.016 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCc1nnnn1C1CC1)C(=O)[O-] ZINC000655991870 411983220 /nfs/dbraw/zinc/98/32/20/411983220.db2.gz ZSIFKSSAPDYYSR-VIFPVBQESA-N -1 0 324.341 -0.903 20 0 DBADRM Cc1c(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)cnn1C ZINC000655989447 411983334 /nfs/dbraw/zinc/98/33/34/411983334.db2.gz ZXNQHPZJWQQFOE-LLVKDONJSA-N -1 0 310.354 -0.182 20 0 DBADRM Cc1cc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)ncn1 ZINC000655986872 411983398 /nfs/dbraw/zinc/98/33/98/411983398.db2.gz HZTRLGMMJHZMGS-NSHDSACASA-N -1 0 308.338 -0.126 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCC(=O)NC(C)(C)C)C(=O)[O-] ZINC000655985224 411983435 /nfs/dbraw/zinc/98/34/35/411983435.db2.gz VRVLUGBKDJERFT-QMMMGPOBSA-N -1 0 301.343 -0.756 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1csc(N(C)C)n1)C(=O)[O-] ZINC000655988719 411983610 /nfs/dbraw/zinc/98/36/10/411983610.db2.gz SZVFLZQUXADOQZ-ZETCQYMHSA-N -1 0 314.367 -0.338 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC(=O)N1)C(=O)[O-] ZINC000655989089 411983814 /nfs/dbraw/zinc/98/38/14/411983814.db2.gz WFLNKOKTJFJERP-NXEZZACHSA-N -1 0 313.354 -0.756 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCC[C@@H](C)CO)C(=O)[O-] ZINC000655994911 411983867 /nfs/dbraw/zinc/98/38/67/411983867.db2.gz WRWBAQZRZSHELR-GHMZBOCLSA-N -1 0 302.371 -0.016 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[C@H](C)O)C(=O)[O-] ZINC000656005410 411984347 /nfs/dbraw/zinc/98/43/47/411984347.db2.gz ZOPIOAKEUOADLR-VWYCJHECSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1)C(=O)[O-] ZINC000656000441 411984444 /nfs/dbraw/zinc/98/44/44/411984444.db2.gz TTZCUZUPKZIODJ-QUBYGPBYSA-N -1 0 312.244 -0.651 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@]1(C)CCCO)C(=O)[O-] ZINC000656001487 411984501 /nfs/dbraw/zinc/98/45/01/411984501.db2.gz ITTARPAEDZQDER-QMTHXVAHSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N(C)Cc1cnc(N(C)C)nc1)C(=O)[O-] ZINC000656005439 411984580 /nfs/dbraw/zinc/98/45/80/411984580.db2.gz OJDZVVHEFRTIFW-VIFPVBQESA-N -1 0 323.353 -0.662 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCc2cc[nH]c(=O)c2C1)C(=O)[O-] ZINC000656002829 411984587 /nfs/dbraw/zinc/98/45/87/411984587.db2.gz LDYTYFXGRLHRGQ-QMMMGPOBSA-N -1 0 307.306 -0.491 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCc2cc[nH]c(=O)c2C1)C(=O)[O-] ZINC000656002828 411984725 /nfs/dbraw/zinc/98/47/25/411984725.db2.gz LDYTYFXGRLHRGQ-MRVPVSSYSA-N -1 0 307.306 -0.491 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C)C(=O)[O-] ZINC000656005423 411985054 /nfs/dbraw/zinc/98/50/54/411985054.db2.gz ZUVXMKJCNLBWNZ-BDAKNGLRSA-N -1 0 315.370 -0.415 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000656001735 411985643 /nfs/dbraw/zinc/98/56/43/411985643.db2.gz MJWFGFILBBGBKG-JTQLQIEISA-N -1 0 313.354 -0.850 20 0 DBADRM Cc1nnc([C@H]2CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C2)[nH]1 ZINC000656002204 411985773 /nfs/dbraw/zinc/98/57/73/411985773.db2.gz WPTJWMFJQCZTAT-SCZZXKLOSA-N -1 0 323.353 -0.344 20 0 DBADRM Cc1noc([C@H]2CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C2)n1 ZINC000656002030 411985821 /nfs/dbraw/zinc/98/58/21/411985821.db2.gz RVEGDLIDNIRDCU-WPRPVWTQSA-N -1 0 324.337 -0.079 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC(Cn2cncn2)CC1)C(=O)[O-] ZINC000656001842 411985882 /nfs/dbraw/zinc/98/58/82/411985882.db2.gz NKLGOLKFNJHSCN-JTQLQIEISA-N -1 0 323.353 -0.646 20 0 DBADRM COCCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000656006995 411986575 /nfs/dbraw/zinc/98/65/75/411986575.db2.gz ZXKNBCSCHWSBPB-NXEZZACHSA-N -1 0 302.327 -0.913 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC(C)(O)CC1)C(=O)[O-] ZINC000656013977 411986605 /nfs/dbraw/zinc/98/66/05/411986605.db2.gz TWZUBAKFWMJFCM-JTQLQIEISA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCSC[C@H]1CCO)C(=O)[O-] ZINC000656004718 411986661 /nfs/dbraw/zinc/98/66/61/411986661.db2.gz HKCDXPGXTXBKMG-RKDXNWHRSA-N -1 0 304.368 -0.850 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCOC1)C(=O)[O-] ZINC000656011871 411986755 /nfs/dbraw/zinc/98/67/55/411986755.db2.gz SZMQCAXRJBCJKC-WDEREUQCSA-N -1 0 300.355 -0.046 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(C2CC2)CC1)C(=O)[O-] ZINC000656010746 411986806 /nfs/dbraw/zinc/98/68/06/411986806.db2.gz QGBWRZCFSARZNZ-LBPRGKRZSA-N -1 0 311.382 -0.234 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](n2cncn2)C1)C(=O)[O-] ZINC000656010713 411986863 /nfs/dbraw/zinc/98/68/63/411986863.db2.gz PJAAEWWMPNFIKO-GHMZBOCLSA-N -1 0 323.353 -0.476 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCSC[C@@H]1CCO)C(=O)[O-] ZINC000656004716 411986916 /nfs/dbraw/zinc/98/69/16/411986916.db2.gz HKCDXPGXTXBKMG-IUCAKERBSA-N -1 0 304.368 -0.850 20 0 DBADRM COCC1(C)CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000656011170 411986922 /nfs/dbraw/zinc/98/69/22/411986922.db2.gz VMZQLTJJYHPIIH-SNVBAGLBSA-N -1 0 300.355 -0.046 20 0 DBADRM COCC1(C)CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000656011169 411987012 /nfs/dbraw/zinc/98/70/12/411987012.db2.gz VMZQLTJJYHPIIH-JTQLQIEISA-N -1 0 300.355 -0.046 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C[C@@H]1OC ZINC000656010651 411987038 /nfs/dbraw/zinc/98/70/38/411987038.db2.gz FJLXYVGIEUCJOH-GARJFASQSA-N -1 0 316.354 -0.668 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1)C(=O)[O-] ZINC000656006387 411987189 /nfs/dbraw/zinc/98/71/89/411987189.db2.gz XMMWBZOMRXIHGO-VHSXEESVSA-N -1 0 308.338 -0.047 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1)C(=O)[O-] ZINC000656012630 411987937 /nfs/dbraw/zinc/98/79/37/411987937.db2.gz HRKDRIQSSWVLST-MXWKQRLJSA-N -1 0 316.354 -0.932 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1)C(=O)[O-] ZINC000656012629 411987990 /nfs/dbraw/zinc/98/79/90/411987990.db2.gz HRKDRIQSSWVLST-GMTAPVOTSA-N -1 0 316.354 -0.932 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000656014466 411988552 /nfs/dbraw/zinc/98/85/52/411988552.db2.gz UXLBXHDFHMXXPM-QMTHXVAHSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@H](CO)C1)C(=O)[O-] ZINC000656012632 411989100 /nfs/dbraw/zinc/98/91/00/411989100.db2.gz HRKDRIQSSWVLST-VWYCJHECSA-N -1 0 316.354 -0.932 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000068688455 412020266 /nfs/dbraw/zinc/02/02/66/412020266.db2.gz QORQGTKJSZCKOC-MNOVXSKESA-N -1 0 300.355 -0.046 20 0 DBADRM CO[C@@H](C[C@H](NS(=O)(=O)c1cnnn1C)C(=O)[O-])C1CC1 ZINC000656166432 411997032 /nfs/dbraw/zinc/99/70/32/411997032.db2.gz GVYBTAOUTFHPAJ-IUCAKERBSA-N -1 0 318.355 -0.638 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)c2ccc3c(n2)OCCO3)n1 ZINC000656194230 411998596 /nfs/dbraw/zinc/99/85/96/411998596.db2.gz FCARUJAUDGDWBP-UHFFFAOYSA-N -1 0 305.250 -0.219 20 0 DBADRM CO[C@H](C[C@@H](NS(=O)(=O)c1c[nH]cn1)C(=O)[O-])C1CC1 ZINC000656168417 411998743 /nfs/dbraw/zinc/99/87/43/411998743.db2.gz HDQWGWJOWPBRBQ-RKDXNWHRSA-N -1 0 303.340 -0.044 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](C[C@H](OC)C1CC1)C(=O)[O-] ZINC000656169377 411999085 /nfs/dbraw/zinc/99/90/85/411999085.db2.gz OGMBIFNTVZNAPG-MNOVXSKESA-N -1 0 324.399 -0.333 20 0 DBADRM CCC1CCN(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])CC1 ZINC000656510675 412006994 /nfs/dbraw/zinc/00/69/94/412006994.db2.gz SVENPCLOQNEXOH-JTQLQIEISA-N -1 0 321.399 -0.339 20 0 DBADRM C[C@@H](O[C@H](C)C(=O)NCc1nc(C(N)=O)cs1)C(=O)[O-] ZINC000656486133 412007000 /nfs/dbraw/zinc/00/70/00/412007000.db2.gz UHRYAUFXYHKIMV-PHDIDXHHSA-N -1 0 301.324 -0.264 20 0 DBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC000656509326 412007084 /nfs/dbraw/zinc/00/70/84/412007084.db2.gz QPXHHZNAFPCVLC-JTQLQIEISA-N -1 0 316.335 -0.792 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)CCc1ccccc1F)C(=O)[O-] ZINC000656509464 412007288 /nfs/dbraw/zinc/00/72/88/412007288.db2.gz UKNZYYBWMUPYTO-SNVBAGLBSA-N -1 0 318.326 -0.384 20 0 DBADRM CCC(=O)C[C@@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-] ZINC000656512382 412007365 /nfs/dbraw/zinc/00/73/65/412007365.db2.gz KBNDGLBRMOMJBY-LLVKDONJSA-N -1 0 322.383 -0.246 20 0 DBADRM O=C(C[C@]1(C(=O)[O-])CCOC1)NCc1nnnn1CC1CC1 ZINC000656482918 412007382 /nfs/dbraw/zinc/00/73/82/412007382.db2.gz ONXMRHUJFPXCDG-CYBMUJFWSA-N -1 0 309.326 -0.419 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1cnccc1C(F)(F)F ZINC000656528056 412007468 /nfs/dbraw/zinc/00/74/68/412007468.db2.gz LBVWBNRLEIPWOU-ZCFIWIBFSA-N -1 0 314.241 -0.176 20 0 DBADRM CCn1nccc1S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000656513935 412007573 /nfs/dbraw/zinc/00/75/73/412007573.db2.gz GGYIZEBOZYRZRE-MWLCHTKSSA-N -1 0 317.367 -0.251 20 0 DBADRM COC1CCN(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)CC1 ZINC000656512327 412007769 /nfs/dbraw/zinc/00/77/69/412007769.db2.gz IKNPEYAXNFVYGX-NXEZZACHSA-N -1 0 304.368 -0.039 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-] ZINC000656513168 412007774 /nfs/dbraw/zinc/00/77/74/412007774.db2.gz RNIIWRRUOHRELC-MNOVXSKESA-N -1 0 324.399 -0.454 20 0 DBADRM CCn1nccc1S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000656513933 412007972 /nfs/dbraw/zinc/00/79/72/412007972.db2.gz GGYIZEBOZYRZRE-GXSJLCMTSA-N -1 0 317.367 -0.251 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656561559 412008660 /nfs/dbraw/zinc/00/86/60/412008660.db2.gz IXJJPBFVFSHRKT-ZYHUDNBSSA-N -1 0 306.384 -0.148 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656562795 412008716 /nfs/dbraw/zinc/00/87/16/412008716.db2.gz UMCVFHSAOQBBAF-MIZYBKAJSA-N -1 0 305.352 -0.473 20 0 DBADRM CCn1cncc1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656562402 412008912 /nfs/dbraw/zinc/00/89/12/412008912.db2.gz OYWLCWVUUGDQTL-BXKDBHETSA-N -1 0 315.351 -0.375 20 0 DBADRM CCn1nccc1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656563184 412008963 /nfs/dbraw/zinc/00/89/63/412008963.db2.gz ZZSNDTJQUCYQMJ-BXKDBHETSA-N -1 0 315.351 -0.375 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC000656563707 412009221 /nfs/dbraw/zinc/00/92/21/412009221.db2.gz WKAWPOOPPGRXCI-GMTAPVOTSA-N -1 0 307.368 -0.226 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC000656562912 412009331 /nfs/dbraw/zinc/00/93/31/412009331.db2.gz WTOOFOAOWFBLSB-LDYMZIIASA-N -1 0 301.324 -0.858 20 0 DBADRM C[C@H]1CCCN(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000656561422 412009431 /nfs/dbraw/zinc/00/94/31/412009431.db2.gz GFBFVOXWNKIMEY-DMDPSCGWSA-N -1 0 318.395 -0.004 20 0 DBADRM Cc1c(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cnn1C ZINC000656564175 412009791 /nfs/dbraw/zinc/00/97/91/412009791.db2.gz DLNJVCZWSAXYCN-BXKDBHETSA-N -1 0 315.351 -0.550 20 0 DBADRM C[C@H]1CC[C@@](NC(=O)NCCNS(C)(=O)=O)(C(=O)[O-])CC1 ZINC000656579284 412010751 /nfs/dbraw/zinc/01/07/51/412010751.db2.gz ZNIMMDZXCQTUJF-OTCDBFHCSA-N -1 0 321.399 -0.132 20 0 DBADRM CO[C@H](CNC(=O)N[C@]1(C(=O)[O-])CCOC1)[C@H]1CCOC1 ZINC000656586320 412010908 /nfs/dbraw/zinc/01/09/08/412010908.db2.gz NHGOFMZOXUINQC-OPQQBVKSSA-N -1 0 302.327 -0.419 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)CC[C@@H]1CCOC1)C2 ZINC000656564535 412011030 /nfs/dbraw/zinc/01/10/30/412011030.db2.gz QGKSQDBDKUGNBA-DMDPSCGWSA-N -1 0 319.379 -0.224 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])nc1C ZINC000656717656 412012065 /nfs/dbraw/zinc/01/20/65/412012065.db2.gz OIQQIRMPAFTVHS-SCZZXKLOSA-N -1 0 303.340 -0.268 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cnc2n1CCC2 ZINC000656715714 412012234 /nfs/dbraw/zinc/01/22/34/412012234.db2.gz BBBJVYYRHFIMKY-OIBJUYFYSA-N -1 0 301.324 -0.650 20 0 DBADRM C[C@@H]1CN(c2ccc(C(=O)[O-])nn2)CCN1S(C)(=O)=O ZINC000656783285 412012258 /nfs/dbraw/zinc/01/22/58/412012258.db2.gz KGSQHSFPTLVVMZ-MRVPVSSYSA-N -1 0 300.340 -0.355 20 0 DBADRM CN(C[C@@H]1COCCO1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000656720850 412012360 /nfs/dbraw/zinc/01/23/60/412012360.db2.gz DXBSOSXQUDQWGV-GHMZBOCLSA-N -1 0 322.383 -0.625 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000656716102 412012403 /nfs/dbraw/zinc/01/24/03/412012403.db2.gz FVEFTHRQDPYSJC-SNVBAGLBSA-N -1 0 302.356 -0.205 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000656716687 412012428 /nfs/dbraw/zinc/01/24/28/412012428.db2.gz HZBKANGPFIFPHB-SNVBAGLBSA-N -1 0 317.371 -0.749 20 0 DBADRM COCCN(CCF)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000656718796 412012468 /nfs/dbraw/zinc/01/24/68/412012468.db2.gz CSNAXLKYKQTKBG-UHFFFAOYSA-N -1 0 309.319 -0.426 20 0 DBADRM C[C@]12COC[C@H]1CN(S(=O)(=O)N1CCC[C@@H]1C(=O)[O-])C2 ZINC000656730742 412012504 /nfs/dbraw/zinc/01/25/04/412012504.db2.gz RMYWWVMFOYJXOZ-FOGDFJRCSA-N -1 0 304.368 -0.252 20 0 DBADRM Cc1cncc(CCNS(=O)(=O)N(C)CCC(=O)[O-])n1 ZINC000656729572 412012543 /nfs/dbraw/zinc/01/25/43/412012543.db2.gz ZHVCBNZHSOEACG-UHFFFAOYSA-N -1 0 302.356 -0.432 20 0 DBADRM C[C@@H]1CN(c2ncncc2C(=O)[O-])CCN1S(C)(=O)=O ZINC000656785632 412012615 /nfs/dbraw/zinc/01/26/15/412012615.db2.gz ZGHOMWMHSMMLLQ-MRVPVSSYSA-N -1 0 300.340 -0.355 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000656852206 412013518 /nfs/dbraw/zinc/01/35/18/412013518.db2.gz WGLNQZODRPDFFH-JTQLQIEISA-N -1 0 304.368 -0.409 20 0 DBADRM CC(C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1[O-] ZINC000656888639 412014875 /nfs/dbraw/zinc/01/48/75/412014875.db2.gz VOUACDWOCFUHAE-UHFFFAOYSA-N -1 0 322.408 -0.002 20 0 DBADRM COCC(=O)N1CCN(S(=O)(=O)c2ccccc2[O-])CC1 ZINC000656877868 412015395 /nfs/dbraw/zinc/01/53/95/412015395.db2.gz DLNSEWFNNITDTO-UHFFFAOYSA-N -1 0 314.363 -0.129 20 0 DBADRM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1ccccc1[O-] ZINC000656899446 412016751 /nfs/dbraw/zinc/01/67/51/412016751.db2.gz LRSBSWARDWPOJS-SECBINFHSA-N -1 0 302.352 -0.097 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2[O-])O1 ZINC000656934657 412017917 /nfs/dbraw/zinc/01/79/17/412017917.db2.gz KHYAVDSSNVDRBO-PSASIEDQSA-N -1 0 300.336 -0.297 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccccc1[O-] ZINC000657100254 412028772 /nfs/dbraw/zinc/02/87/72/412028772.db2.gz KVHHZFHWWVPEFA-PSASIEDQSA-N -1 0 321.376 -0.518 20 0 DBADRM C[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659058316 412076887 /nfs/dbraw/zinc/07/68/87/412076887.db2.gz MXIPNGCGLZMYQT-DTWKUNHWSA-N -1 0 324.337 -0.377 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC(=O)N1C ZINC000659060482 412076943 /nfs/dbraw/zinc/07/69/43/412076943.db2.gz XSLBCPZTPWFFLG-QMMMGPOBSA-N -1 0 320.305 -0.593 20 0 DBADRM CO[C@H]1CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000659054324 412077223 /nfs/dbraw/zinc/07/72/23/412077223.db2.gz OVDAGWCCBQWCMP-VIFPVBQESA-N -1 0 324.337 -0.111 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])[C@H]1CO ZINC000659056762 412076258 /nfs/dbraw/zinc/07/62/58/412076258.db2.gz AKEFOMMYPRUGLF-WPRPVWTQSA-N -1 0 307.306 -0.052 20 0 DBADRM CN(C(=O)C(=O)Nc1cccnc1C(=O)[O-])[C@@H]1CCN(C)C1=O ZINC000659058429 412076355 /nfs/dbraw/zinc/07/63/55/412076355.db2.gz OFBVNDHXAGTIBH-SECBINFHSA-N -1 0 320.305 -0.593 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CCO1 ZINC000659051241 412076381 /nfs/dbraw/zinc/07/63/81/412076381.db2.gz ULXVLYNSYXASPN-VIFPVBQESA-N -1 0 324.337 -0.111 20 0 DBADRM CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659050691 412076472 /nfs/dbraw/zinc/07/64/72/412076472.db2.gz NPGNZKVXWGLCFO-UHFFFAOYSA-N -1 0 322.321 -0.345 20 0 DBADRM O=C([O-])CCc1cccc(NC(=O)C(=O)N[C@H]2CCNC2=O)c1 ZINC000659063750 412078094 /nfs/dbraw/zinc/07/80/94/412078094.db2.gz DSTURUIHHQUZJB-NSHDSACASA-N -1 0 319.317 -0.353 20 0 DBADRM CCn1nccc1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659066054 412078188 /nfs/dbraw/zinc/07/81/88/412078188.db2.gz HSTCAOKYZZJMHW-YMTOWFKASA-N -1 0 322.321 -0.599 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659067844 412078364 /nfs/dbraw/zinc/07/83/64/412078364.db2.gz PYMMJHKHQCMEPQ-SECBINFHSA-N -1 0 323.305 -0.408 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NC[C@@H]2CCC(=O)N2)c(F)c1 ZINC000659068824 412078477 /nfs/dbraw/zinc/07/84/77/412078477.db2.gz YWPTVGPLEGONKI-QMMMGPOBSA-N -1 0 323.280 -0.143 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O)C(=O)[O-] ZINC000659062023 412078514 /nfs/dbraw/zinc/07/85/14/412078514.db2.gz IOGCTTGOBUMCLA-LLVKDONJSA-N -1 0 319.317 -0.110 20 0 DBADRM COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@H](C)C(=O)[O-] ZINC000659062344 412078632 /nfs/dbraw/zinc/07/86/32/412078632.db2.gz DYNDQAQRTZIIKF-ZCFIWIBFSA-N -1 0 311.298 -0.921 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccnc(OCCO)c1)C(=O)[O-] ZINC000659062926 412078637 /nfs/dbraw/zinc/07/86/37/412078637.db2.gz XSZFCPKIULYDRX-SECBINFHSA-N -1 0 311.294 -0.629 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@@H]2CCC(=O)N2)c1 ZINC000659068859 412078749 /nfs/dbraw/zinc/07/87/49/412078749.db2.gz ZFSLNMQTAURZFD-JTQLQIEISA-N -1 0 305.290 -0.282 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000659063297 412078782 /nfs/dbraw/zinc/07/87/82/412078782.db2.gz WBGMYCPOCGPDQU-SSDOTTSWSA-N -1 0 320.305 -0.595 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@@H]1CCC(=O)N1 ZINC000659068415 412078825 /nfs/dbraw/zinc/07/88/25/412078825.db2.gz VMLBAXUNMRUPMQ-QMMMGPOBSA-N -1 0 305.290 -0.282 20 0 DBADRM C[C@H]1CC[C@@](NC(=O)[C@@H]2CCS(=O)(=O)N2)(C(=O)[O-])CC1 ZINC000659179526 412080859 /nfs/dbraw/zinc/08/08/59/412080859.db2.gz LFTWCIKNCLHBKM-AUTRQRHGSA-N -1 0 304.368 -0.172 20 0 DBADRM CO[C@@H]1CCN(C(=O)CS(=O)(=O)C(C)C)[C@@H](C(=O)[O-])C1 ZINC000659220429 412081169 /nfs/dbraw/zinc/08/11/69/412081169.db2.gz PARSDDAAZQCDHY-NXEZZACHSA-N -1 0 307.368 -0.100 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000659170803 412081238 /nfs/dbraw/zinc/08/12/38/412081238.db2.gz AHLUFJKUJUBVIL-JOYOIKCWSA-N -1 0 306.274 -0.011 20 0 DBADRM O=C([O-])CN(CC1CC1)C(=O)CC1(n2cnnn2)CCOCC1 ZINC000659124349 412081416 /nfs/dbraw/zinc/08/14/16/412081416.db2.gz OXKQJNOZYBMXKZ-UHFFFAOYSA-N -1 0 323.353 -0.108 20 0 DBADRM O=C([O-])CN(C(=O)c1ccn2nnnc2c1)C1CCOCC1 ZINC000659128383 412081715 /nfs/dbraw/zinc/08/17/15/412081715.db2.gz NIRNXTNNRNARJS-UHFFFAOYSA-N -1 0 305.294 -0.170 20 0 DBADRM O=C([O-])CN(C(=O)CC1(n2cnnn2)CCOCC1)C1CC1 ZINC000659124046 412081889 /nfs/dbraw/zinc/08/18/89/412081889.db2.gz IIEATCVAABRRRQ-UHFFFAOYSA-N -1 0 309.326 -0.356 20 0 DBADRM O=C([O-])C12CC(C1)CN2C(=O)CCN1CCCS1(=O)=O ZINC000659178537 412082029 /nfs/dbraw/zinc/08/20/29/412082029.db2.gz UBVNDFQQFLIQTL-UHFFFAOYSA-N -1 0 302.352 -0.512 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCCCC(=O)[O-] ZINC000659408299 412086669 /nfs/dbraw/zinc/08/66/69/412086669.db2.gz SCLXEMXTGSMJQS-DTWKUNHWSA-N -1 0 308.356 -0.648 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000659413076 412087063 /nfs/dbraw/zinc/08/70/63/412087063.db2.gz OMLMHJJWIFYQPA-NXEZZACHSA-N -1 0 320.367 -0.695 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000659411503 412087157 /nfs/dbraw/zinc/08/71/57/412087157.db2.gz NLUYBHYLFWLJRD-KXUCPTDWSA-N -1 0 322.383 -0.546 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)N[C@H]1CC(=O)N(C3CC3)C1)C2 ZINC000659398062 412087198 /nfs/dbraw/zinc/08/71/98/412087198.db2.gz RYONJRORCWQJEF-HFBDOXOYSA-N -1 0 323.349 -0.508 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCc1nnnn1C1CC1)C2 ZINC000659396269 412087245 /nfs/dbraw/zinc/08/72/45/412087245.db2.gz ANRDLOJSHRZASY-AMIZOPFISA-N -1 0 322.325 -0.749 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NC[C@H]1CCCC(=O)N1)C2 ZINC000659402704 412087504 /nfs/dbraw/zinc/08/75/04/412087504.db2.gz FKAOKICJWONCNZ-GPCCPHFNSA-N -1 0 311.338 -0.602 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000659410098 412087823 /nfs/dbraw/zinc/08/78/23/412087823.db2.gz ONZPBTSJZXIQRC-JXUBOQSCSA-N -1 0 320.367 -0.649 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1ccccn1)C2 ZINC000659645309 412097118 /nfs/dbraw/zinc/09/71/18/412097118.db2.gz WPFHUCUFAXIJCN-MEBBXXQBSA-N -1 0 319.317 -0.743 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1cccnc1)C2 ZINC000659643579 412097336 /nfs/dbraw/zinc/09/73/36/412097336.db2.gz CCGACTJYQGOPEO-IAQYHMDHSA-N -1 0 319.317 -0.743 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NC[C@@H]2CCCC(=O)N2)CCC1 ZINC000659653445 412098364 /nfs/dbraw/zinc/09/83/64/412098364.db2.gz UKYQYWDPZWUPFN-VIFPVBQESA-N -1 0 311.338 -0.858 20 0 DBADRM C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000659655463 412098669 /nfs/dbraw/zinc/09/86/69/412098669.db2.gz IZKBYZDODDUUHI-MNOVXSKESA-N -1 0 300.355 -0.023 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCCC1CC1)C2 ZINC000659651550 412099362 /nfs/dbraw/zinc/09/93/62/412099362.db2.gz AUGRKWCRMWLGNB-IAQYHMDHSA-N -1 0 310.350 -0.148 20 0 DBADRM C[C@@]12COC[C@@H]1CN(C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C2 ZINC000659660250 412099818 /nfs/dbraw/zinc/09/98/18/412099818.db2.gz IHNZNRZTLNAQTF-KIGUWFBYSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@@H](NC(=O)C(=O)NCC1(C(=O)[O-])CCC1)c1ccn(C)n1 ZINC000659656221 412099927 /nfs/dbraw/zinc/09/99/27/412099927.db2.gz PXLQWERXHRNBGW-SECBINFHSA-N -1 0 308.338 -0.032 20 0 DBADRM Cc1cnc(CCNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cn1 ZINC000659657573 412099961 /nfs/dbraw/zinc/09/99/61/412099961.db2.gz VKVNNJJDTFDXJK-UHFFFAOYSA-N -1 0 320.349 -0.185 20 0 DBADRM Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)C(=O)NCCC(=O)[O-])cn1 ZINC000659658060 412100054 /nfs/dbraw/zinc/10/00/54/412100054.db2.gz FBBUICJKAKEBAI-NWDGAFQWSA-N -1 0 322.365 -0.162 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCC1(C3CC3)CC1)C2 ZINC000659656556 412100182 /nfs/dbraw/zinc/10/01/82/412100182.db2.gz KJQNWUGJQHJOLX-BDJLRTHQSA-N -1 0 322.361 -0.148 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCCO[C@@H]2CC2(F)F)C1 ZINC000659661156 412100216 /nfs/dbraw/zinc/10/02/16/412100216.db2.gz PNDKZGCOPZTJEL-HRDYMLBCSA-N -1 0 320.292 -0.104 20 0 DBADRM CC(C)(F)CCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659662656 412100374 /nfs/dbraw/zinc/10/03/74/412100374.db2.gz AUCITDCTHWLAIJ-YMTOWFKASA-N -1 0 316.329 -0.200 20 0 DBADRM C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)O1 ZINC000659663640 412100913 /nfs/dbraw/zinc/10/09/13/412100913.db2.gz HYWGKPGYCWETJX-VWYCJHECSA-N -1 0 314.338 -0.628 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)CCC1 ZINC000659667744 412101387 /nfs/dbraw/zinc/10/13/87/412101387.db2.gz NSVNGYMMJXRGCL-LLVKDONJSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC([C@H]3CCOC3)C2)CCC1 ZINC000659671171 412101714 /nfs/dbraw/zinc/10/17/14/412101714.db2.gz UKDGCIVZJCQRJY-JTQLQIEISA-N -1 0 310.350 -0.148 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CNC(=O)c1ccccn1)C2 ZINC000659778149 412122652 /nfs/dbraw/zinc/12/26/52/412122652.db2.gz BBUYGQSDTATAOD-MEBBXXQBSA-N -1 0 319.317 -0.629 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2ccc(OCC(=O)[O-])cc2)CCO1 ZINC000659758001 412122696 /nfs/dbraw/zinc/12/26/96/412122696.db2.gz ZTRJNLKWGLEOOS-NSHDSACASA-N -1 0 308.290 -0.524 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000659773992 412123262 /nfs/dbraw/zinc/12/32/62/412123262.db2.gz VTHYSGBDCMSFDV-GHMZBOCLSA-N -1 0 313.331 -0.073 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2ccc(OCC(=O)[O-])cc2)CCO1 ZINC000659758000 412123284 /nfs/dbraw/zinc/12/32/84/412123284.db2.gz ZTRJNLKWGLEOOS-LLVKDONJSA-N -1 0 308.290 -0.524 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC000659763807 412123363 /nfs/dbraw/zinc/12/33/63/412123363.db2.gz JGTPJRMKJOJSKO-MNOVXSKESA-N -1 0 323.353 -0.252 20 0 DBADRM NS(=O)(=O)c1cccnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662885984 412208151 /nfs/dbraw/zinc/20/81/51/412208151.db2.gz QJGWULBFIRQHIN-PRHODGIISA-N -1 0 313.335 -0.734 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1ccc(C(=O)NCCO)nn1 ZINC000662892245 412209016 /nfs/dbraw/zinc/20/90/16/412209016.db2.gz CBLDPXWYLJWYQY-VHSXEESVSA-N -1 0 308.338 -0.112 20 0 DBADRM C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000662914051 412210639 /nfs/dbraw/zinc/21/06/39/412210639.db2.gz WKEGVIQHBQJHMC-WOPDTQHZSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@H]1C ZINC000662908755 412211181 /nfs/dbraw/zinc/21/11/81/412211181.db2.gz WXZVJFNMCKLHLH-KIGUWFBYSA-N -1 0 310.350 -0.197 20 0 DBADRM C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000662912145 412211195 /nfs/dbraw/zinc/21/11/95/412211195.db2.gz IIRMYIHQOHPMJZ-MNOVXSKESA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@@](O)(C2CC2)C1)C(=O)[O-] ZINC000662913480 412211206 /nfs/dbraw/zinc/21/12/06/412211206.db2.gz LKEQBBVVZXAMKE-BMIGLBTASA-N -1 0 312.366 -0.071 20 0 DBADRM CC1(C)[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)C[C@@H]21 ZINC000662908865 412211678 /nfs/dbraw/zinc/21/16/78/412211678.db2.gz JWSXRXPXJCTWGN-OJLPPKNESA-N -1 0 322.361 -0.340 20 0 DBADRM CC12CC(C1)CN2C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662915065 412212605 /nfs/dbraw/zinc/21/26/05/412212605.db2.gz IRTLGNYFWYTXQU-DBQPCTHGSA-N -1 0 308.334 -0.443 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)CN(C)Cc2n[n-]c(=O)o2)C1 ZINC000660849343 412148212 /nfs/dbraw/zinc/14/82/12/412148212.db2.gz XJCHFDXKSWFFGF-JTQLQIEISA-N -1 0 311.342 -0.666 20 0 DBADRM CS(=O)(=O)[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C(F)(F)F ZINC000661186261 412154838 /nfs/dbraw/zinc/15/48/38/412154838.db2.gz JUTIPCWQLZEYOS-PHDIDXHHSA-N -1 0 314.289 -0.082 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000314727531 412160967 /nfs/dbraw/zinc/16/09/67/412160967.db2.gz GCEVQIZIMQSBQM-OUAUKWLOSA-N -1 0 318.395 -0.020 20 0 DBADRM O=C([O-])C1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC000315098480 412167833 /nfs/dbraw/zinc/16/78/33/412167833.db2.gz WHEFIMXMSTZNFI-UHFFFAOYSA-N -1 0 308.338 -0.296 20 0 DBADRM NC(=O)[C@@H]1Cc2ccccc2N([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662202651 412170972 /nfs/dbraw/zinc/17/09/72/412170972.db2.gz NZKZNCQLBXXBCQ-DGCLKSJQSA-N -1 0 317.345 -0.164 20 0 DBADRM O=C([O-])[C@@H]1COCCN1CCN1C(=O)NC2(CCCC2)C1=O ZINC000662207726 412171292 /nfs/dbraw/zinc/17/12/92/412171292.db2.gz MFVLOMCNYMFGGV-JTQLQIEISA-N -1 0 311.338 -0.364 20 0 DBADRM CCN(CC(=O)N1CCN(c2cnccn2)CC1)[C@@H](C)C(=O)[O-] ZINC000662215849 412171440 /nfs/dbraw/zinc/17/14/40/412171440.db2.gz MAJIHHBFZWRJSM-LBPRGKRZSA-N -1 0 321.381 -0.080 20 0 DBADRM Cc1ccnc2nc(C(=O)NC3(C(=O)[O-])CCOCC3)nn21 ZINC000316923310 412257520 /nfs/dbraw/zinc/25/75/20/412257520.db2.gz DLVBEFIEQZEVOV-UHFFFAOYSA-N -1 0 305.294 -0.204 20 0 DBADRM Cn1ccc(S(=O)(=O)[N-]c2cc(OC(F)F)n(C)n2)n1 ZINC000547627309 412274731 /nfs/dbraw/zinc/27/47/31/412274731.db2.gz LGBSAYDHGCQESU-UHFFFAOYSA-N -1 0 307.282 0.556 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])C1 ZINC000663047852 412223912 /nfs/dbraw/zinc/22/39/12/412223912.db2.gz FYLPWXRXWAZYIX-GZMMTYOYSA-N -1 0 308.356 -0.984 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000663030142 412223960 /nfs/dbraw/zinc/22/39/60/412223960.db2.gz GUBPHHPNATWPOM-GFCCVEGCSA-N -1 0 304.368 -0.409 20 0 DBADRM NS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC000663041233 412224011 /nfs/dbraw/zinc/22/40/11/412224011.db2.gz VZXJWDPIFXSTDJ-PSASIEDQSA-N -1 0 319.383 -0.871 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H]2C(=O)[O-])C1 ZINC000663026347 412224026 /nfs/dbraw/zinc/22/40/26/412224026.db2.gz MPYYHRCICDKGAY-VHSXEESVSA-N -1 0 319.383 -0.632 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663024047 412224042 /nfs/dbraw/zinc/22/40/42/412224042.db2.gz NJOTZJIMXZSMFY-GUBZILKMSA-N -1 0 321.399 -0.483 20 0 DBADRM COCCn1nc(C(=O)NC[C@H](C(=O)[O-])C(C)C)ccc1=O ZINC000315822068 412224131 /nfs/dbraw/zinc/22/41/31/412224131.db2.gz CDQCEBDIJSESMX-JTQLQIEISA-N -1 0 311.338 -0.024 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@](C)(OC)C(=O)[O-])C1 ZINC000663047856 412224473 /nfs/dbraw/zinc/22/44/73/412224473.db2.gz FYLPWXRXWAZYIX-KWQFWETISA-N -1 0 308.356 -0.984 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000663026635 412224541 /nfs/dbraw/zinc/22/45/41/412224541.db2.gz PJBIOOWMGUDLLC-VIFPVBQESA-N -1 0 307.372 -0.777 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000663048023 412224544 /nfs/dbraw/zinc/22/45/44/412224544.db2.gz JQAPHIBLZYHMCE-KKFJDGPESA-N -1 0 302.327 -0.772 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc(OCC(=O)[O-])cc2)O1 ZINC000663063752 412225274 /nfs/dbraw/zinc/22/52/74/412225274.db2.gz YZFFJZSPJLBIND-NWDGAFQWSA-N -1 0 322.317 -0.087 20 0 DBADRM CO[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])C1CCCC1 ZINC000663053230 412225303 /nfs/dbraw/zinc/22/53/03/412225303.db2.gz AVGPIJRLMAFZQI-WDEREUQCSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@]1(C2CCN(C(=O)[C@H](C(=O)[O-])C3CC3)CC2)NC(=O)NC1=O ZINC000663063365 412225505 /nfs/dbraw/zinc/22/55/05/412225505.db2.gz QNARJPASSUFGBW-MEBBXXQBSA-N -1 0 323.349 -0.066 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000663063984 412225551 /nfs/dbraw/zinc/22/55/51/412225551.db2.gz JEHBSOAEJXACGF-KCJUWKMLSA-N -1 0 308.356 -0.984 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCc1nnnn1-c1ccccc1 ZINC000663066694 412225569 /nfs/dbraw/zinc/22/55/69/412225569.db2.gz HVYNTRMXLPIFKX-CYBMUJFWSA-N -1 0 305.294 -0.232 20 0 DBADRM C[C@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C[C@@H]1C(=O)[O-] ZINC000663059791 412225597 /nfs/dbraw/zinc/22/55/97/412225597.db2.gz XNGBBUYRAHSBJL-QWRGUYRKSA-N -1 0 323.353 -0.252 20 0 DBADRM O=C([O-])[C@@H](C(=O)NCCCN1C(=O)CNC1=O)C1CCCC1 ZINC000663071394 412225638 /nfs/dbraw/zinc/22/56/38/412225638.db2.gz UVCWIBPTWSXWHE-LLVKDONJSA-N -1 0 311.338 -0.065 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(OCC(=O)[O-])cc2)O1 ZINC000663063754 412225759 /nfs/dbraw/zinc/22/57/59/412225759.db2.gz YZFFJZSPJLBIND-VXGBXAGGSA-N -1 0 322.317 -0.087 20 0 DBADRM CCN(C(=O)CCC(=O)NCCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000663123873 412226320 /nfs/dbraw/zinc/22/63/20/412226320.db2.gz GKEYJMAEAHNRMS-SECBINFHSA-N -1 0 301.343 -0.660 20 0 DBADRM O=C([O-])CC1(NC(=O)c2ccc3nnnn3c2)CCOCC1 ZINC000663122439 412226407 /nfs/dbraw/zinc/22/64/07/412226407.db2.gz IHTCSZDINYPAHG-UHFFFAOYSA-N -1 0 305.294 -0.122 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000663120843 412226580 /nfs/dbraw/zinc/22/65/80/412226580.db2.gz UBKIQHAJKUBVJR-OPRDCNLKSA-N -1 0 319.383 -0.634 20 0 DBADRM Nc1nsc(N2CCN(C(=O)[C@@H](C(=O)[O-])C3CC3)CC2)n1 ZINC000663104178 412226661 /nfs/dbraw/zinc/22/66/61/412226661.db2.gz IMCLCDSJYQIOLQ-QMMMGPOBSA-N -1 0 311.367 -0.120 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000663082311 412226730 /nfs/dbraw/zinc/22/67/30/412226730.db2.gz SUYUUCCACJODMM-ZDUSSCGKSA-N -1 0 310.310 -0.410 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@@H](C(=O)[O-])C3CC3)C2=O)cn1 ZINC000663083213 412226834 /nfs/dbraw/zinc/22/68/34/412226834.db2.gz JPOFJYQTMGJPFL-QWRGUYRKSA-N -1 0 306.322 -0.248 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000663106147 412226959 /nfs/dbraw/zinc/22/69/59/412226959.db2.gz WNWFCXLSZUZSDY-LLVKDONJSA-N -1 0 315.355 -0.741 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000663129946 412227280 /nfs/dbraw/zinc/22/72/80/412227280.db2.gz APRMDQNPSLPEPH-OAHLLOKOSA-N -1 0 322.317 -0.086 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000663136445 412227375 /nfs/dbraw/zinc/22/73/75/412227375.db2.gz GVEVLCCWPAWAHU-RNCFNFMXSA-N -1 0 301.343 -0.310 20 0 DBADRM NS(=O)(=O)c1cc(CNC(=O)CCC(=O)[O-])ccc1F ZINC000663144415 412227539 /nfs/dbraw/zinc/22/75/39/412227539.db2.gz JUGDMCOEWVHUHJ-UHFFFAOYSA-N -1 0 304.299 -0.046 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000663127508 412227651 /nfs/dbraw/zinc/22/76/51/412227651.db2.gz MKWIIUWJDMTOQL-DTWKUNHWSA-N -1 0 307.368 -0.194 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCC2(C(=O)[O-])CCC2)o1 ZINC000663141538 412227808 /nfs/dbraw/zinc/22/78/08/412227808.db2.gz LYCSDHRFSYBXGQ-UHFFFAOYSA-N -1 0 302.308 -0.088 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C3(C(=O)[O-])CC3)C[C@H]21 ZINC000663135184 412227962 /nfs/dbraw/zinc/22/79/62/412227962.db2.gz MSMGQRBFOJVTPE-YIZRAAEISA-N -1 0 303.336 -0.878 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000663127466 412227978 /nfs/dbraw/zinc/22/79/78/412227978.db2.gz LXIRKNBHDWYCQF-HBNTYKKESA-N -1 0 319.379 -0.194 20 0 DBADRM Cn1cnn(CC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1=O ZINC000663142747 412228004 /nfs/dbraw/zinc/22/80/04/412228004.db2.gz YGKDXLZCNYVWNN-AWEZNQCLSA-N -1 0 304.306 -0.302 20 0 DBADRM CC(C)CN1C(=O)C(=O)N([C@@H]2CCN(CC(=O)[O-])C2=O)C1=O ZINC000663219558 412228621 /nfs/dbraw/zinc/22/86/21/412228621.db2.gz PWUQITKBSQHQDG-MRVPVSSYSA-N -1 0 311.294 -0.881 20 0 DBADRM O=C([O-])CN1CC[C@H](n2c(=O)onc2-c2ccccn2)C1=O ZINC000663219363 412228671 /nfs/dbraw/zinc/22/86/71/412228671.db2.gz IGUDXXAWVVQISY-VIFPVBQESA-N -1 0 304.262 -0.244 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000663144877 412228759 /nfs/dbraw/zinc/22/87/59/412228759.db2.gz LLRMWUGSNHDAIP-UHFFFAOYSA-N -1 0 318.355 -0.374 20 0 DBADRM O=C([O-])CN1CC[C@@H](n2c(=O)onc2-c2ncccn2)C1=O ZINC000663221104 412228810 /nfs/dbraw/zinc/22/88/10/412228810.db2.gz YRNFMSVENKCKDL-SSDOTTSWSA-N -1 0 305.250 -0.849 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2C(=O)NC(C3CC3)(C3CC3)C2=O)C1=O ZINC000663218480 412228970 /nfs/dbraw/zinc/22/89/70/412228970.db2.gz FFDFUZBZUSJKBN-SNVBAGLBSA-N -1 0 321.333 -0.218 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C1(n2cnnn2)CCOCC1)C1CCC1 ZINC000663159161 412229221 /nfs/dbraw/zinc/22/92/21/412229221.db2.gz WLKFJAGZXSZJLG-LLVKDONJSA-N -1 0 323.353 -0.204 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)NC[C@H](C(=O)[O-])C2CCC2)C1=O ZINC000663151815 412229385 /nfs/dbraw/zinc/22/93/85/412229385.db2.gz RNQYPKFZOOUYDZ-QMMMGPOBSA-N -1 0 311.294 -0.976 20 0 DBADRM O=C([O-])[C@@H]1N(C(=O)N2CCS(=O)(=O)CC2)CC12CCC2 ZINC000663290035 412230112 /nfs/dbraw/zinc/23/01/12/412230112.db2.gz TYQQCRCXISTZJX-VIFPVBQESA-N -1 0 302.352 -0.224 20 0 DBADRM O=C([O-])[C@H]1N(S(=O)(=O)[C@H]2CCOC2)CC12CCOCC2 ZINC000663287598 412230370 /nfs/dbraw/zinc/23/03/70/412230370.db2.gz KRXBAHHEKBAILM-VHSXEESVSA-N -1 0 305.352 -0.329 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CC2(CCOCC2)[C@H]1C(=O)[O-] ZINC000663288553 412231256 /nfs/dbraw/zinc/23/12/56/412231256.db2.gz OGCGOIRYPDETNJ-VHSXEESVSA-N -1 0 307.368 -0.083 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000663429705 412232616 /nfs/dbraw/zinc/23/26/16/412232616.db2.gz GTWOSEKPRRFWJF-VWYCJHECSA-N -1 0 304.368 -0.252 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)nn1C ZINC000663601698 412235482 /nfs/dbraw/zinc/23/54/82/412235482.db2.gz FJUICIJZCVSYCK-SECBINFHSA-N -1 0 324.337 -0.016 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663620043 412236407 /nfs/dbraw/zinc/23/64/07/412236407.db2.gz HVRFGQWFZYJQLC-LLVKDONJSA-N -1 0 308.338 -0.049 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663623173 412236547 /nfs/dbraw/zinc/23/65/47/412236547.db2.gz IBVMFZBMVCRQMQ-JTQLQIEISA-N -1 0 313.354 -0.802 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)NCCCn1cncn1)C1CCC1 ZINC000663618934 412236595 /nfs/dbraw/zinc/23/65/95/412236595.db2.gz WLPKZDHKWAXUGW-LLVKDONJSA-N -1 0 323.353 -0.599 20 0 DBADRM CCn1nccc1CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000663631528 412236616 /nfs/dbraw/zinc/23/66/16/412236616.db2.gz XXCDRNVHYBTMHY-UHFFFAOYSA-N -1 0 308.338 -0.110 20 0 DBADRM COC[C@H](CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)OC ZINC000663627301 412236643 /nfs/dbraw/zinc/23/66/43/412236643.db2.gz DLWLOGSFWLSLIH-QWRGUYRKSA-N -1 0 316.354 -0.619 20 0 DBADRM CCN1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000663635157 412236856 /nfs/dbraw/zinc/23/68/56/412236856.db2.gz RJTNRNJLXSKSDQ-GFCCVEGCSA-N -1 0 311.382 -0.232 20 0 DBADRM Cc1nc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)no1 ZINC000663624572 412237013 /nfs/dbraw/zinc/23/70/13/412237013.db2.gz OOBQANSUSPHSKN-VIFPVBQESA-N -1 0 310.310 -0.389 20 0 DBADRM Cn1cnc(CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000663628902 412237052 /nfs/dbraw/zinc/23/70/52/412237052.db2.gz PFLVSVFJCTUWAC-GFCCVEGCSA-N -1 0 322.365 -0.304 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCOCCF)C[C@@H]1C(=O)[O-] ZINC000663628549 412237109 /nfs/dbraw/zinc/23/71/09/412237109.db2.gz DCSJJXXMGCBHMT-ZJUUUORDSA-N -1 0 304.318 -0.342 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCOCCF)C1 ZINC000663628400 412237121 /nfs/dbraw/zinc/23/71/21/412237121.db2.gz BTAQOJPYDNEHBT-VHSXEESVSA-N -1 0 304.318 -0.342 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663621537 412237244 /nfs/dbraw/zinc/23/72/44/412237244.db2.gz RTYBJLACHDLSEX-JTQLQIEISA-N -1 0 313.354 -0.802 20 0 DBADRM Cn1c(=O)cc(N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n(C)c1=O ZINC000663886177 412242596 /nfs/dbraw/zinc/24/25/96/412242596.db2.gz MYXGMPHNPSGYBC-MRVPVSSYSA-N -1 0 306.326 -0.708 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@@H](C(=O)[O-])C2CCC2)O1 ZINC000665308197 412305133 /nfs/dbraw/zinc/30/51/33/412305133.db2.gz XBHBDINJGGQMIP-AXFHLTTASA-N -1 0 313.354 -0.181 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCO1 ZINC000665322998 412308723 /nfs/dbraw/zinc/30/87/23/412308723.db2.gz SHZNFXSESDBDDD-GHMZBOCLSA-N -1 0 313.354 -0.356 20 0 DBADRM O=C([O-])[C@H](CNC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)C1CCC1 ZINC000665318014 412309250 /nfs/dbraw/zinc/30/92/50/412309250.db2.gz MPPYYBVOKMGBJL-BBBLOLIVSA-N -1 0 309.322 -0.599 20 0 DBADRM CNc1nccc(C(=O)NC(C)(C)c2nnn[n-]2)c1[N+](=O)[O-] ZINC000568200829 412337127 /nfs/dbraw/zinc/33/71/27/412337127.db2.gz ANORQZHAJPJGTI-UHFFFAOYSA-N -1 0 306.286 0.210 20 0 DBADRM Cc1cc(C(=O)Nc2ncn(C)n2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000554457022 412341103 /nfs/dbraw/zinc/34/11/03/412341103.db2.gz HSORWCUTGYRONX-UHFFFAOYSA-N -1 0 301.266 0.125 20 0 DBADRM CNc1nc(C)cc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])n1 ZINC000576465213 412346147 /nfs/dbraw/zinc/34/61/47/412346147.db2.gz YVWBGUONYYBZLZ-VIFPVBQESA-N -1 0 323.353 -0.122 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)Nc2cccnn2)C1=O ZINC000417771568 412349399 /nfs/dbraw/zinc/34/93/99/412349399.db2.gz XFFJROCJFCJLAZ-GXSJLCMTSA-N -1 0 321.337 0.308 20 0 DBADRM COC(=O)C(C)(C)n1ccc(NC(=O)[C@@](C)(OC)C(=O)[O-])n1 ZINC000595998204 412357531 /nfs/dbraw/zinc/35/75/31/412357531.db2.gz UEEDPYYQCPKOBK-CYBMUJFWSA-N -1 0 313.310 0.219 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)nn1C ZINC000581666793 412361781 /nfs/dbraw/zinc/36/17/81/412361781.db2.gz AUXWCPALSWFUKO-SCZZXKLOSA-N -1 0 308.338 0.236 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665302575 412304814 /nfs/dbraw/zinc/30/48/14/412304814.db2.gz VMXCHCDWLYZACJ-JTQLQIEISA-N -1 0 321.399 -0.274 20 0 DBADRM CCC(CC)(CNc1ccc(C(=O)NCCO)nn1)C(=O)[O-] ZINC000424375134 412373883 /nfs/dbraw/zinc/37/38/83/412373883.db2.gz MIJNZJRIXPPYEC-UHFFFAOYSA-N -1 0 310.354 0.502 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)Nc1ccc(OC)nn1)C(=O)[O-] ZINC000424434220 412374374 /nfs/dbraw/zinc/37/43/74/412374374.db2.gz DGHXPTAYPZJLSN-UHFFFAOYSA-N -1 0 324.337 0.431 20 0 DBADRM CCc1[n-][nH]c(=O)c1C(=O)Nc1nc2nc(C)cc(C)n2n1 ZINC000574680387 412377967 /nfs/dbraw/zinc/37/79/67/412377967.db2.gz INSUIRCMCWXSII-VIFPVBQESA-N -1 0 301.310 0.192 20 0 DBADRM COc1cc(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)nn1C ZINC000547861892 412436497 /nfs/dbraw/zinc/43/64/97/412436497.db2.gz OCCVMQHCTHTTMB-UHFFFAOYSA-N -1 0 316.277 0.430 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)CNC(=O)c2cccs2)n1 ZINC000431650354 412417395 /nfs/dbraw/zinc/41/73/95/412417395.db2.gz TYLRYCTWOCDIIH-UHFFFAOYSA-N -1 0 308.319 0.398 20 0 DBADRM CCOC(=O)Cn1ccc(NC(=O)CSCC(=O)[O-])n1 ZINC000594467748 412421229 /nfs/dbraw/zinc/42/12/29/412421229.db2.gz ZGPAYTUQJCPDEW-UHFFFAOYSA-N -1 0 301.324 0.203 20 0 DBADRM COCCNC(=O)[C@@H](CC(C)C)N=c1nc2[nH][nH]cc-2c(N)n1 ZINC000354574310 412488320 /nfs/dbraw/zinc/48/83/20/412488320.db2.gz LEXDQKOWLBIEOP-SNVBAGLBSA-N -1 0 321.385 -0.102 20 0 DBADRM CCn1nccc1S(=O)(=O)[N-]c1cnc(C(=O)OC)cn1 ZINC000345726978 412466799 /nfs/dbraw/zinc/46/67/99/412466799.db2.gz UADGIBRSBLPDAY-UHFFFAOYSA-N -1 0 311.323 0.280 20 0 DBADRM Cn1c(N[C@@H]2CC[C@H](C(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000583148711 412469404 /nfs/dbraw/zinc/46/94/04/412469404.db2.gz MXLVBSHHSMLBCL-NKWVEPMBSA-N -1 0 307.310 0.038 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N=c2[n-]nc(C3CC3)n2C)n1 ZINC000617283701 412478280 /nfs/dbraw/zinc/47/82/80/412478280.db2.gz CSWFQALWTHVWJS-UHFFFAOYSA-N -1 0 303.330 -0.800 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@]2(CCCOC2)O1 ZINC000330064550 296932886 /nfs/dbraw/zinc/93/28/86/296932886.db2.gz CKASPHNDXDKHBJ-MEBBXXQBSA-N -1 0 323.349 -0.104 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC(=O)N1C ZINC000282320967 296933589 /nfs/dbraw/zinc/93/35/89/296933589.db2.gz JSVQTVJIYFHTAH-SSDOTTSWSA-N -1 0 317.305 -0.261 20 0 DBADRM COc1ccc(F)cc1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000650414415 418941997 /nfs/dbraw/zinc/94/19/97/418941997.db2.gz GUUSERSIXLQXJU-UHFFFAOYSA-N -1 0 307.299 -0.098 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-] ZINC000650419477 418943194 /nfs/dbraw/zinc/94/31/94/418943194.db2.gz YQVJTGAWCFJQHR-ZETCQYMHSA-N -1 0 306.344 -0.638 20 0 DBADRM COC(C)(C)CS(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650428221 418943547 /nfs/dbraw/zinc/94/35/47/418943547.db2.gz GKDXYNNJWYDTLE-VIFPVBQESA-N -1 0 317.367 -0.183 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000663022421 418943893 /nfs/dbraw/zinc/94/38/93/418943893.db2.gz JVQBTYUTIGRSBR-ZETCQYMHSA-N -1 0 302.308 -0.075 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000666176794 418978285 /nfs/dbraw/zinc/97/82/85/418978285.db2.gz ICWJUWFVPOVRHG-MRVPVSSYSA-N -1 0 302.356 -0.341 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000061836373 544418148 /nfs/dbraw/zinc/41/81/48/544418148.db2.gz RRIIACLINYNLRX-SNVBAGLBSA-N -1 0 321.399 -0.562 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000394224104 544420567 /nfs/dbraw/zinc/42/05/67/544420567.db2.gz OGOLOJOPDKJCFJ-VHSXEESVSA-N -1 0 306.384 -0.020 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)Cn2cc(C(=O)[O-])nn2)[C@@]12CCCO2 ZINC000668315198 544423185 /nfs/dbraw/zinc/42/31/85/544423185.db2.gz HADFRHPIOVAALL-GYSYKLTISA-N -1 0 324.337 -0.181 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)Cn2cc(C(=O)[O-])nn2)[C@@]12CCCO2 ZINC000668315201 544423791 /nfs/dbraw/zinc/42/37/91/544423791.db2.gz HADFRHPIOVAALL-WDMOLILDSA-N -1 0 324.337 -0.181 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000668309275 544424554 /nfs/dbraw/zinc/42/45/54/544424554.db2.gz WTVVORNMHVZXGR-LLVKDONJSA-N -1 0 307.368 -0.193 20 0 DBADRM CN(C[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CC2)C1)S(C)(=O)=O ZINC000668324413 544427587 /nfs/dbraw/zinc/42/75/87/544427587.db2.gz SIGNTQNTNAJWEB-JTQLQIEISA-N -1 0 318.395 -0.019 20 0 DBADRM Cn1ccnc1CN1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000668365627 544430184 /nfs/dbraw/zinc/43/01/84/544430184.db2.gz PLMKNWSAIFOFCD-UHFFFAOYSA-N -1 0 304.354 -0.183 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c1[O-] ZINC000676630201 544434857 /nfs/dbraw/zinc/43/48/57/544434857.db2.gz ZOECGLNTNBIORQ-UHFFFAOYSA-N -1 0 302.356 -0.469 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000650421900 544447656 /nfs/dbraw/zinc/44/76/56/544447656.db2.gz IQTSMFWBMYAQRB-ZJUUUORDSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000650421897 544447756 /nfs/dbraw/zinc/44/77/56/544447756.db2.gz IQTSMFWBMYAQRB-NXEZZACHSA-N -1 0 318.395 -0.020 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC000668726032 544486578 /nfs/dbraw/zinc/48/65/78/544486578.db2.gz LDMXSKCOWHEGSJ-QMMMGPOBSA-N -1 0 302.356 -0.721 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1cccc(CO)c1 ZINC000227248991 544507462 /nfs/dbraw/zinc/50/74/62/544507462.db2.gz TVHBOHYJBDVNGV-UHFFFAOYSA-N -1 0 302.352 -0.080 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2cc(=O)n(C)[n-]2)C(=O)N1c1cnn(C)c1 ZINC000669360506 544555219 /nfs/dbraw/zinc/55/52/19/544555219.db2.gz GWOIWIZJNGNCLM-GZMMTYOYSA-N -1 0 318.337 -0.217 20 0 DBADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000228579610 544561620 /nfs/dbraw/zinc/56/16/20/544561620.db2.gz KDQQLRITBFYWNQ-UTLUCORTSA-N -1 0 306.384 -0.117 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)NCC1(C(=O)[O-])CCC1 ZINC000231021912 544574417 /nfs/dbraw/zinc/57/44/17/544574417.db2.gz DFASEJOQCYHCOL-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@]2(C(=O)[O-])CCOC2)C1 ZINC000085854263 544575695 /nfs/dbraw/zinc/57/56/95/544575695.db2.gz KBKVCNORQSRENS-JOYOIKCWSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@@H]1CCCC[C@H]1O ZINC000085977288 544577082 /nfs/dbraw/zinc/57/70/82/544577082.db2.gz YKARORVDGVEUDI-IONNQARKSA-N -1 0 303.340 -0.063 20 0 DBADRM COCCN1C[C@H](C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1=O ZINC000087477316 544581883 /nfs/dbraw/zinc/58/18/83/544581883.db2.gz OKOWOVOYXAUMCB-MNOVXSKESA-N -1 0 300.355 -0.046 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000087485259 544581898 /nfs/dbraw/zinc/58/18/98/544581898.db2.gz CMFOVOQNZMIAHY-ZJUUUORDSA-N -1 0 306.384 -0.115 20 0 DBADRM COCCN1C[C@@H](C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1=O ZINC000087477319 544581945 /nfs/dbraw/zinc/58/19/45/544581945.db2.gz OKOWOVOYXAUMCB-WDEREUQCSA-N -1 0 300.355 -0.046 20 0 DBADRM Cc1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])ccc1S(N)(=O)=O ZINC000681130717 544592732 /nfs/dbraw/zinc/59/27/32/544592732.db2.gz UUPZFXQBFHLCBN-GFCCVEGCSA-N -1 0 316.335 -0.792 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC(C)(C)S(C)(=O)=O ZINC000093523986 544608286 /nfs/dbraw/zinc/60/82/86/544608286.db2.gz UIYFPAKMINVUBY-UHFFFAOYSA-N -1 0 316.401 -0.950 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000097053116 544618179 /nfs/dbraw/zinc/61/81/79/544618179.db2.gz IJWZODZGIGAQHW-AEJSXWLSSA-N -1 0 304.368 -0.220 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1[O-] ZINC000669753863 544619583 /nfs/dbraw/zinc/61/95/83/544619583.db2.gz ZDJFYOXTFGKCGD-BDAKNGLRSA-N -1 0 316.383 -0.129 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)c1[O-] ZINC000669753865 544619766 /nfs/dbraw/zinc/61/97/66/544619766.db2.gz ZDJFYOXTFGKCGD-IUCAKERBSA-N -1 0 316.383 -0.129 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1[O-] ZINC000669753866 544619770 /nfs/dbraw/zinc/61/97/70/544619770.db2.gz ZDJFYOXTFGKCGD-RKDXNWHRSA-N -1 0 316.383 -0.129 20 0 DBADRM C[C@H](CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400106237 544635983 /nfs/dbraw/zinc/63/59/83/544635983.db2.gz CWFOKIJOMKMAKE-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM CCn1cc(CNS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)nn1 ZINC000404445078 544646555 /nfs/dbraw/zinc/64/65/55/544646555.db2.gz CFCDQSOYZJHAFG-VIFPVBQESA-N -1 0 317.371 -0.571 20 0 DBADRM O=S(=O)(NCCN1CCCS1(=O)=O)c1ccccc1[O-] ZINC000405840920 544648329 /nfs/dbraw/zinc/64/83/29/544648329.db2.gz QUMPUSWODZJTJG-UHFFFAOYSA-N -1 0 320.392 -0.294 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000161929408 544649340 /nfs/dbraw/zinc/64/93/40/544649340.db2.gz WZAXBFUPXWROBJ-MXWKQRLJSA-N -1 0 304.368 -0.063 20 0 DBADRM COCCN(C(=O)C1CC(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000682698014 544650312 /nfs/dbraw/zinc/65/03/12/544650312.db2.gz JHYOHPAINGRPSH-VQXHTEKXSA-N -1 0 319.379 -0.241 20 0 DBADRM C[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@H](C(=O)[O-])O1 ZINC000263001969 544665457 /nfs/dbraw/zinc/66/54/57/544665457.db2.gz VEXMAKYXGZXERQ-RKDXNWHRSA-N -1 0 307.368 -0.100 20 0 DBADRM CCn1cc(S(=O)(=O)N2CC(=O)N(C)C2)cc1C(=O)[O-] ZINC000355456239 544685210 /nfs/dbraw/zinc/68/52/10/544685210.db2.gz NFHJPADXWOTXTC-UHFFFAOYSA-N -1 0 301.324 -0.374 20 0 DBADRM CC(C)(CNC(=O)N[C@@H](C(=O)[O-])C1CC1)NS(C)(=O)=O ZINC000111774609 544680163 /nfs/dbraw/zinc/68/01/63/544680163.db2.gz BTNNQPDBNQWGJK-MRVPVSSYSA-N -1 0 307.372 -0.523 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)[N-]c1n[nH]cc1C(N)=O ZINC000671661263 544728198 /nfs/dbraw/zinc/72/81/98/544728198.db2.gz HHSYEKKDBCXUMK-UHFFFAOYSA-N -1 0 304.719 -0.304 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)cc1C(N)=O ZINC000671661049 544728260 /nfs/dbraw/zinc/72/82/60/544728260.db2.gz GTHGWGHKKNLKBM-UHFFFAOYSA-N -1 0 323.334 -0.283 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N(CC(=O)[O-])CC1CC1 ZINC000036884394 544733582 /nfs/dbraw/zinc/73/35/82/544733582.db2.gz MLFKWYXEIPGDQK-UHFFFAOYSA-N -1 0 315.351 -0.391 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-] ZINC000681580933 544694266 /nfs/dbraw/zinc/69/42/66/544694266.db2.gz QOKIRMFBIWEQAL-QMMMGPOBSA-N -1 0 316.291 -0.089 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cccc(OCC(N)=O)c1 ZINC000362318061 544695353 /nfs/dbraw/zinc/69/53/53/544695353.db2.gz JNLDDCDYEWKMEI-UHFFFAOYSA-N -1 0 310.306 -0.276 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2cccc(OCC(=O)[O-])c2)CCO1 ZINC000262239857 544695992 /nfs/dbraw/zinc/69/59/92/544695992.db2.gz ZRDYRDNBXPDVTI-NSHDSACASA-N -1 0 308.290 -0.524 20 0 DBADRM Cc1ccc(-c2nnn(CC(=O)NC[C@@](C)(O)C(=O)[O-])n2)cc1 ZINC000262384082 544698871 /nfs/dbraw/zinc/69/88/71/544698871.db2.gz KXRVBNIXRQOAIZ-CQSZACIVSA-N -1 0 319.321 -0.400 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)C1=O ZINC000320236672 544746913 /nfs/dbraw/zinc/74/69/13/544746913.db2.gz FULIVYYIKASHIF-OAHLLOKOSA-N -1 0 319.317 -0.003 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)NCC(=O)N2CCOCC2)CC1 ZINC000317472890 544739465 /nfs/dbraw/zinc/73/94/65/544739465.db2.gz YOVAUFGKAJAXDY-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000672788161 544786855 /nfs/dbraw/zinc/78/68/55/544786855.db2.gz NQXCQRJHCYFVIO-SECBINFHSA-N -1 0 303.340 -0.407 20 0 DBADRM COC1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000674720098 544835383 /nfs/dbraw/zinc/83/53/83/544835383.db2.gz WENYWSVPKSSBHR-UHFFFAOYSA-N -1 0 312.307 -0.545 20 0 DBADRM O=C(C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O)c1ccc(O)cc1 ZINC000673142078 544796407 /nfs/dbraw/zinc/79/64/07/544796407.db2.gz QXRBUVHDFRSROH-HNNXBMFYSA-N -1 0 317.301 -0.225 20 0 DBADRM Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)ccc1S(N)(=O)=O ZINC000674719242 544835990 /nfs/dbraw/zinc/83/59/90/544835990.db2.gz SUSFWDAOLCUGFO-UHFFFAOYSA-N -1 0 311.323 -0.604 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000674808301 544839598 /nfs/dbraw/zinc/83/95/98/544839598.db2.gz VVRKYXHIIVBRRW-AOOOYVTPSA-N -1 0 314.363 -0.374 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NCC2(C(=O)[O-])CCCC2)nn1 ZINC000676024846 544856385 /nfs/dbraw/zinc/85/63/85/544856385.db2.gz APXXNJGHGNOCBO-UHFFFAOYSA-N -1 0 323.353 -0.259 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000676016399 544855855 /nfs/dbraw/zinc/85/58/55/544855855.db2.gz FSXIOXTVPLVCJO-QMMMGPOBSA-N -1 0 316.339 -0.670 20 0 DBADRM CN(CC(=O)Nc1nc(CC(=O)[O-])cs1)S(C)(=O)=O ZINC000675944714 544854629 /nfs/dbraw/zinc/85/46/29/544854629.db2.gz GZEFQYYNEGCKGI-UHFFFAOYSA-N -1 0 307.353 -0.400 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000675998958 544856457 /nfs/dbraw/zinc/85/64/57/544856457.db2.gz XACOQPJOMCQIPX-DCAQKATOSA-N -1 0 324.333 -0.526 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CS(=O)(=O)NC(C)(C)C ZINC000676208106 544859679 /nfs/dbraw/zinc/85/96/79/544859679.db2.gz JBDMVGBFHKJTPH-UHFFFAOYSA-N -1 0 310.372 -0.736 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CCC(=O)N1CCOCC1 ZINC000676207758 544859961 /nfs/dbraw/zinc/85/99/61/544859961.db2.gz OVGFDDMWLQYYLV-UHFFFAOYSA-N -1 0 302.327 -0.815 20 0 DBADRM C[C@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000676208799 544859992 /nfs/dbraw/zinc/85/99/92/544859992.db2.gz LEOTYKUVAOTSSV-QMMMGPOBSA-N -1 0 300.336 -0.144 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000676213040 544860148 /nfs/dbraw/zinc/86/01/48/544860148.db2.gz IFGBPUXYLVLLRT-GHMZBOCLSA-N -1 0 311.338 -0.953 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCN=c2nn[n-]n2C)s1 ZINC000676413596 544869498 /nfs/dbraw/zinc/86/94/98/544869498.db2.gz WRZNJSIWSWRQEN-UHFFFAOYSA-N -1 0 302.385 -0.608 20 0 DBADRM Cc1cc(C(=O)NC2(C(N)=O)CCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000676669980 544874849 /nfs/dbraw/zinc/87/48/49/544874849.db2.gz MBJZALWNCHSWMS-UHFFFAOYSA-N -1 0 317.305 -0.118 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000677951721 544902615 /nfs/dbraw/zinc/90/26/15/544902615.db2.gz WDXRUBAUGIJQNX-SNVBAGLBSA-N -1 0 323.353 -0.390 20 0 DBADRM O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1n[nH]c(=O)[n-]c1=O ZINC000677948750 544903018 /nfs/dbraw/zinc/90/30/18/544903018.db2.gz FMTXLNXVWJPIHS-UHFFFAOYSA-N -1 0 300.238 -0.285 20 0 DBADRM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)[C@H]1CCNC(=O)C1 ZINC000677203453 544885526 /nfs/dbraw/zinc/88/55/26/544885526.db2.gz MDSRKERJJXCMEB-CMPLNLGQSA-N -1 0 300.322 -0.069 20 0 DBADRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)NC(CO)CO ZINC000680451700 544948496 /nfs/dbraw/zinc/94/84/96/544948496.db2.gz MWIJWNYTHNIWEH-UHFFFAOYSA-N -1 0 316.379 -0.079 20 0 DBADRM O=C(N[C@H]1COc2ccccc2C1=O)c1n[nH]c(=O)[n-]c1=O ZINC000678863045 544921985 /nfs/dbraw/zinc/92/19/85/544921985.db2.gz JBJTZUSHAQLMBG-ZETCQYMHSA-N -1 0 302.246 -0.344 20 0 DBADRM O=C(N[C@@H]1COc2ccccc2C1=O)c1n[nH]c(=O)[n-]c1=O ZINC000678863044 544922512 /nfs/dbraw/zinc/92/25/12/544922512.db2.gz JBJTZUSHAQLMBG-SSDOTTSWSA-N -1 0 302.246 -0.344 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)NCc2cccc(C(=O)[O-])c2)C1=O ZINC000678933327 544922949 /nfs/dbraw/zinc/92/29/49/544922949.db2.gz VFVOISQSVXJNNR-UHFFFAOYSA-N -1 0 319.273 -0.578 20 0 DBADRM CN(CC(=O)[O-])C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000679572767 544933290 /nfs/dbraw/zinc/93/32/90/544933290.db2.gz IQQFRMKBYUPADD-UHFFFAOYSA-N -1 0 316.339 -0.914 20 0 DBADRM CN(CCCNC(=O)NC1(C(=O)[O-])CCCC1)S(C)(=O)=O ZINC000679548662 544933466 /nfs/dbraw/zinc/93/34/66/544933466.db2.gz WZEGFPRSDUVXHV-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM CCN(CCCNC(=O)N1CCC[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000679552697 544933694 /nfs/dbraw/zinc/93/36/94/544933694.db2.gz NTNPUUQSNIRNTR-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000679654381 544936231 /nfs/dbraw/zinc/93/62/31/544936231.db2.gz AXGROCDAYXORRZ-BDAKNGLRSA-N -1 0 301.343 -0.661 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000679904651 544940668 /nfs/dbraw/zinc/94/06/68/544940668.db2.gz LDHLSCYRPKPCHH-UHFFFAOYSA-N -1 0 312.293 -0.155 20 0 DBADRM CCO[C@H]1C[C@](CO)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1(C)C ZINC000682027515 544992397 /nfs/dbraw/zinc/99/23/97/544992397.db2.gz OFAAJIAPPDLAKU-WPPNPWJKSA-N -1 0 312.326 -0.421 20 0 DBADRM CCO[C@H]1C[C@@](CO)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1(C)C ZINC000682027510 544992453 /nfs/dbraw/zinc/99/24/53/544992453.db2.gz OFAAJIAPPDLAKU-CPFSXVBKSA-N -1 0 312.326 -0.421 20 0 DBADRM CCOc1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])cn1 ZINC000681584649 544975782 /nfs/dbraw/zinc/97/57/82/544975782.db2.gz AZSIAOHYXRZCCS-UHFFFAOYSA-N -1 0 318.351 -0.062 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N(CCO)CCC(=O)[O-])cn1 ZINC000681585352 544975830 /nfs/dbraw/zinc/97/58/30/544975830.db2.gz SBLYJZCNANAMRD-UHFFFAOYSA-N -1 0 305.356 -0.078 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])on1 ZINC000681586523 544975837 /nfs/dbraw/zinc/97/58/37/544975837.db2.gz PFISEOKIMBQJFS-VIFPVBQESA-N -1 0 304.324 -0.012 20 0 DBADRM Cc1noc2ncc(S(=O)(=O)NCCOCC(=O)[O-])cc12 ZINC000681579471 544975859 /nfs/dbraw/zinc/97/58/59/544975859.db2.gz PNJWDWLMDCKXNB-UHFFFAOYSA-N -1 0 315.307 -0.089 20 0 DBADRM Cc1cc(C)n(C[C@@H](NS(=O)(=O)N(C)C2CC2)C(=O)[O-])n1 ZINC000681581496 544976068 /nfs/dbraw/zinc/97/60/68/544976068.db2.gz QHMORBMXJHYFCQ-LLVKDONJSA-N -1 0 316.383 -0.118 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])C1 ZINC000681641828 544978404 /nfs/dbraw/zinc/97/84/04/544978404.db2.gz OXSYOTDZYJOKBX-QWRGUYRKSA-N -1 0 316.379 -0.339 20 0 DBADRM Cc1cnn(-c2c(C(=O)NCc3nnn[n-]3)c(C)nn2C)c1 ZINC000681730257 544978750 /nfs/dbraw/zinc/97/87/50/544978750.db2.gz NAWIKNVFKHPAHI-UHFFFAOYSA-N -1 0 301.314 -0.334 20 0 DBADRM Cn1nnnc1CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000681793617 544981308 /nfs/dbraw/zinc/98/13/08/544981308.db2.gz YOMLSOUTHHDXCK-UHFFFAOYSA-N -1 0 310.339 -0.488 20 0 DBADRM CN(CCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)S(C)(=O)=O ZINC000682524117 545000326 /nfs/dbraw/zinc/00/03/26/545000326.db2.gz CCDHCYMWXSSXNF-BDAKNGLRSA-N -1 0 308.356 -0.984 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1cccnc1N1CCOCC1 ZINC000682806733 545005535 /nfs/dbraw/zinc/00/55/35/545005535.db2.gz AWIVUPFUXIAMDT-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM C[C@H]1CN(C(=O)C2CC(C(=O)[O-])C2)CCN1S(C)(=O)=O ZINC000683340043 545009393 /nfs/dbraw/zinc/00/93/93/545009393.db2.gz DDEXQKADLPMSSS-IDKOKCKLSA-N -1 0 304.368 -0.411 20 0 DBADRM CN(C1CC1)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000683434226 545009923 /nfs/dbraw/zinc/00/99/23/545009923.db2.gz MNVXZNSTXBHSTB-PWSUYJOCSA-N -1 0 304.368 -0.252 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)Cc2ccon2)C[C@]12CCOC2 ZINC000683433409 545010317 /nfs/dbraw/zinc/01/03/17/545010317.db2.gz AOQDCXVVLCYJLA-PWSUYJOCSA-N -1 0 316.335 -0.073 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2C)cc1C(=O)[O-] ZINC000110662545 545014079 /nfs/dbraw/zinc/01/40/79/545014079.db2.gz CZQXTMQWBBJVAJ-QMMMGPOBSA-N -1 0 315.351 -0.285 20 0 DBADRM NC(=O)[C@H](O)CNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000683916708 545014944 /nfs/dbraw/zinc/01/49/44/545014944.db2.gz XCGGHAGQDPWXOP-SECBINFHSA-N -1 0 308.269 -0.707 20 0 DBADRM Cc1cc(C(=O)NCCc2nc(=O)o[n-]2)ccc1-n1cnnn1 ZINC000684064080 545016624 /nfs/dbraw/zinc/01/66/24/545016624.db2.gz QYZQGUUHRLXGKM-UHFFFAOYSA-N -1 0 315.293 -0.380 20 0 DBADRM CC(C)(CNC(=O)NC1(C(=O)[O-])CCC1)NS(C)(=O)=O ZINC000165125492 545019247 /nfs/dbraw/zinc/01/92/47/545019247.db2.gz FHMYJORZONIPBU-UHFFFAOYSA-N -1 0 307.372 -0.379 20 0 DBADRM O=C(NC[C@H]1COc2ccccc2O1)c1n[nH]c(=O)[n-]c1=O ZINC000684375596 545020212 /nfs/dbraw/zinc/02/02/12/545020212.db2.gz UBADLDROEVRXMQ-ZETCQYMHSA-N -1 0 304.262 -0.147 20 0 DBADRM CN1C(=O)CN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1c1ccccc1 ZINC000684488990 545021096 /nfs/dbraw/zinc/02/10/96/545021096.db2.gz ALAJRNPPLVJWJO-LBPRGKRZSA-N -1 0 315.289 -0.104 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)NCCCN(C)S(C)(=O)=O ZINC000684720366 545023150 /nfs/dbraw/zinc/02/31/50/545023150.db2.gz AZOXWRGQJXPFJE-UHFFFAOYSA-N -1 0 309.388 -0.226 20 0 DBADRM CN(CCCNC(=O)N[C@H](CC1CC1)C(=O)[O-])S(C)(=O)=O ZINC000684720402 545023258 /nfs/dbraw/zinc/02/32/58/545023258.db2.gz BUHCNAFLUIJNQN-SNVBAGLBSA-N -1 0 321.399 -0.180 20 0 DBADRM C/C=C/C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC000684721233 545023322 /nfs/dbraw/zinc/02/33/22/545023322.db2.gz ODFDYFRDDVFTQS-YEZKRMTDSA-N -1 0 321.399 -0.014 20 0 DBADRM Cc1nc(CS(=O)(=O)NCCc2nc(=O)o[n-]2)cs1 ZINC000685598495 545033123 /nfs/dbraw/zinc/03/31/23/545033123.db2.gz YFBVRXULRMGSBH-UHFFFAOYSA-N -1 0 304.353 -0.210 20 0 DBADRM NC(=O)Cc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1 ZINC000685896861 545035096 /nfs/dbraw/zinc/03/50/96/545035096.db2.gz ZPAGKFSAIQFTRG-NEPJUHHUSA-N -1 0 306.318 -0.037 20 0 DBADRM COc1cc(=NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)[nH]n1C ZINC000381863313 545037751 /nfs/dbraw/zinc/03/77/51/545037751.db2.gz SCAJAUQZZDAXON-UHFFFAOYSA-N -1 0 300.296 -0.322 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000088767783 265651924 /nfs/dbraw/zinc/65/19/24/265651924.db2.gz ROMQGNPSBUPBDA-UHFFFAOYSA-N -1 0 323.371 -0.588 20 0 DBADRM CCN(C)S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417449109 265745076 /nfs/dbraw/zinc/74/50/76/265745076.db2.gz XJJGWYLSCMPCDB-ZJUUUORDSA-N -1 0 321.399 -0.517 20 0 DBADRM CCNS(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417445515 265745176 /nfs/dbraw/zinc/74/51/76/265745176.db2.gz HGFCCWGQAZKFSM-RKDXNWHRSA-N -1 0 307.372 -0.860 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000420530036 265859399 /nfs/dbraw/zinc/85/93/99/265859399.db2.gz HLXNGXSLRXFOPP-JTQLQIEISA-N -1 0 322.317 -0.124 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000420530038 265860082 /nfs/dbraw/zinc/86/00/82/265860082.db2.gz HLXNGXSLRXFOPP-SNVBAGLBSA-N -1 0 322.317 -0.124 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422633706 265879889 /nfs/dbraw/zinc/87/98/89/265879889.db2.gz JPKWNZPOYLHCDT-MRVPVSSYSA-N -1 0 305.290 -0.330 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422828489 265881118 /nfs/dbraw/zinc/88/11/18/265881118.db2.gz BDYWXMLYEYNOEF-JRPNMDOOSA-N -1 0 312.366 -0.071 20 0 DBADRM CCN(CC(C)(C)O)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000422821787 265881498 /nfs/dbraw/zinc/88/14/98/265881498.db2.gz YKJRPYYBRZCIRU-CQSZACIVSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@H]1[C@H](CO)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422853397 265882029 /nfs/dbraw/zinc/88/20/29/265882029.db2.gz SGGBOONNROXXAK-CENBSLRLSA-N -1 0 324.377 -0.071 20 0 DBADRM CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000422877444 265882490 /nfs/dbraw/zinc/88/24/90/265882490.db2.gz RKDCMQBLXSNCIU-SNVBAGLBSA-N -1 0 313.354 -0.611 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N(C)CCCC(=O)[O-])C[C@@H](C)O1 ZINC000422876304 265882756 /nfs/dbraw/zinc/88/27/56/265882756.db2.gz GCKIVGHIGZSRNQ-GHMZBOCLSA-N -1 0 316.354 -0.428 20 0 DBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2ccn(C)n2)n1 ZINC000424224732 265926707 /nfs/dbraw/zinc/92/67/07/265926707.db2.gz SWHJPAUJNPAADO-UHFFFAOYSA-N -1 0 314.327 -0.625 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)COC2CCCC2)CCS1(=O)=O ZINC000424243477 265928836 /nfs/dbraw/zinc/92/88/36/265928836.db2.gz NAYSKMZELVOVGH-JTQLQIEISA-N -1 0 305.352 -0.344 20 0 DBADRM COC[C@@H]1CCN(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424363154 265930187 /nfs/dbraw/zinc/93/01/87/265930187.db2.gz BDXGCLVPAMEPEL-ZJUUUORDSA-N -1 0 320.367 -0.742 20 0 DBADRM CC(C)OCCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424391896 265931584 /nfs/dbraw/zinc/93/15/84/265931584.db2.gz ROOSWRQIAQPDAH-SNVBAGLBSA-N -1 0 322.383 -0.305 20 0 DBADRM CO[C@H](C)[C@@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424398597 265931753 /nfs/dbraw/zinc/93/17/53/265931753.db2.gz OOGIXOOAKOILMS-HLTSFMKQSA-N -1 0 308.356 -0.697 20 0 DBADRM CC(C)(CCNC(=O)NC[C@@H]1CS(=O)(=O)CCO1)C(=O)[O-] ZINC000424449382 265932535 /nfs/dbraw/zinc/93/25/35/265932535.db2.gz LBQIZXPSXWOYDZ-SECBINFHSA-N -1 0 322.383 -0.400 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])CCO1 ZINC000424405609 265932782 /nfs/dbraw/zinc/93/27/82/265932782.db2.gz OUVSQAXZZMSTID-VIFPVBQESA-N -1 0 301.343 -0.356 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCCn2ncnn2)c1 ZINC000424726182 265940634 /nfs/dbraw/zinc/94/06/34/265940634.db2.gz IQAKJUHYNBNZKM-OAQYLSRUSA-N -1 0 309.351 -0.394 20 0 DBADRM CCCN1CCCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC1=O ZINC000431807729 266026112 /nfs/dbraw/zinc/02/61/12/266026112.db2.gz IIYISSBOJIJUTD-UHFFFAOYSA-N -1 0 324.337 -0.019 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000432122878 266028042 /nfs/dbraw/zinc/02/80/42/266028042.db2.gz QKMHESJGDUYLAR-QCLAVDOMSA-N -1 0 304.368 -0.316 20 0 DBADRM CCOC[C@H](O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000434444879 266050741 /nfs/dbraw/zinc/05/07/41/266050741.db2.gz LRGNLHCPVZMPJR-MRVPVSSYSA-N -1 0 322.321 -0.128 20 0 DBADRM C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436694382 266069401 /nfs/dbraw/zinc/06/94/01/266069401.db2.gz CBLMEOFESZQSEY-QMMMGPOBSA-N -1 0 302.352 -0.247 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2cnc(C(=O)[O-])cn2)CC1=O ZINC000439925774 266094007 /nfs/dbraw/zinc/09/40/07/266094007.db2.gz CFAIIKDIZXZNAJ-XLDPMVHQSA-N -1 0 304.306 -0.086 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCC(=O)NCc2ccco2)cn1 ZINC000439908740 266094257 /nfs/dbraw/zinc/09/42/57/266094257.db2.gz IRPPKADLTDKHFF-UHFFFAOYSA-N -1 0 304.262 -0.186 20 0 DBADRM Cc1noc(=NC(=O)c2ccc(CNS(C)(=O)=O)o2)[n-]1 ZINC000440575343 266105412 /nfs/dbraw/zinc/10/54/12/266105412.db2.gz FVCXQCAFJMDCQO-UHFFFAOYSA-N -1 0 300.296 -0.306 20 0 DBADRM COC(=O)CSCCNS(=O)(=O)[N-]CC(F)(F)F ZINC000442957329 266133318 /nfs/dbraw/zinc/13/33/18/266133318.db2.gz NCSOYPIJBNOPGT-UHFFFAOYSA-N -1 0 310.319 -0.121 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C)C(=O)OC ZINC000442735571 266128007 /nfs/dbraw/zinc/12/80/07/266128007.db2.gz JNDXDNHOYWXMSH-HRDYMLBCSA-N -1 0 309.340 -0.812 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CN1CCN(CC)C(=O)C1=O ZINC000442745650 266128668 /nfs/dbraw/zinc/12/86/68/266128668.db2.gz WMPVEVGZKRUGMF-JTQLQIEISA-N -1 0 313.354 -0.611 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C(=O)OC ZINC000442900706 266129704 /nfs/dbraw/zinc/12/97/04/266129704.db2.gz NNYNFEVSMAKIBM-RXMQYKEDSA-N -1 0 322.261 -0.923 20 0 DBADRM COC(=O)[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H](C)O ZINC000442921405 266131850 /nfs/dbraw/zinc/13/18/50/266131850.db2.gz NAJFPVYPRVHFFD-GMSGAONNSA-N -1 0 321.289 -0.318 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]CC(F)(F)F)[C@@H](C)C1 ZINC000443007521 266133135 /nfs/dbraw/zinc/13/31/35/266133135.db2.gz PBRJFHBDFQZUJC-ZETCQYMHSA-N -1 0 303.306 -0.064 20 0 DBADRM Cn1cc([C@H](CO)NS(=O)(=O)[N-]CC(F)(F)F)cn1 ZINC000443019010 266135036 /nfs/dbraw/zinc/13/50/36/266135036.db2.gz CPTXTHQUHPKBOO-ZETCQYMHSA-N -1 0 302.278 -0.560 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NC[C@H]1CCCCS1(=O)=O ZINC000443049539 266135362 /nfs/dbraw/zinc/13/53/62/266135362.db2.gz SUCSJFJQWSPKOP-SSDOTTSWSA-N -1 0 324.346 -0.060 20 0 DBADRM CN(CCCO)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000443092942 266137277 /nfs/dbraw/zinc/13/72/77/266137277.db2.gz KRSZDGGGDRNDHN-UHFFFAOYSA-N -1 0 314.323 -0.561 20 0 DBADRM COC(=O)CN1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000443217632 266138263 /nfs/dbraw/zinc/13/82/63/266138263.db2.gz RTYYAOQCOGAYJI-UHFFFAOYSA-N -1 0 319.305 -0.826 20 0 DBADRM C[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C(=O)N1CCCC1 ZINC000443230492 266138857 /nfs/dbraw/zinc/13/88/57/266138857.db2.gz YJDQEKWVMUDSOI-ZETCQYMHSA-N -1 0 303.306 -0.016 20 0 DBADRM O=C1CN(S(=O)(=O)[N-]CC(F)(F)F)CN1CC1CC1 ZINC000443216646 266139178 /nfs/dbraw/zinc/13/91/78/266139178.db2.gz QDIKXWDZPNMQGH-UHFFFAOYSA-N -1 0 301.290 -0.105 20 0 DBADRM CS(=O)(=O)C1(CNS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000443212319 266139195 /nfs/dbraw/zinc/13/91/95/266139195.db2.gz NJHZARGAXQDNDN-UHFFFAOYSA-N -1 0 310.319 -0.450 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000450525491 266143773 /nfs/dbraw/zinc/14/37/73/266143773.db2.gz RLBOILXWQNMROQ-ATZCPNFKSA-N -1 0 304.368 -0.411 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)/C=C\c1ccnn1C ZINC000492143034 266153196 /nfs/dbraw/zinc/15/31/96/266153196.db2.gz WSLGTIMOTLXXJE-ARJAWSKDSA-N -1 0 317.367 -0.458 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000492152505 266154703 /nfs/dbraw/zinc/15/47/03/266154703.db2.gz CXMRBOALWCZTHE-SREVYHEPSA-N -1 0 309.322 -0.580 20 0 DBADRM O=C(/C=C/c1cncc(F)c1)[N-]S(=O)(=O)N1CCOCC1 ZINC000492247924 266156814 /nfs/dbraw/zinc/15/68/14/266156814.db2.gz LMOWQMBUWBBOMR-OWOJBTEDSA-N -1 0 315.326 -0.073 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C\c1cnccn1)[C@H](C)C(=O)[O-] ZINC000492405791 266160629 /nfs/dbraw/zinc/16/06/29/266160629.db2.gz DPNVDZJOOJFFGD-UMBAGQNISA-N -1 0 306.322 -0.072 20 0 DBADRM CCn1ccnc1/C=C\C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000492437195 266161284 /nfs/dbraw/zinc/16/12/84/266161284.db2.gz HOROTPJYJZNQNO-ARJAWSKDSA-N -1 0 314.367 -0.391 20 0 DBADRM O=C([N-]OCCO)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000492513321 266161655 /nfs/dbraw/zinc/16/16/55/266161655.db2.gz UCRLQICXAXJILG-OLZOCXBDSA-N -1 0 324.333 -0.202 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)/C=C/SCc1ccco1 ZINC000492647190 266163160 /nfs/dbraw/zinc/16/31/60/266163160.db2.gz XFXHYYPLLTXMTE-HWKANZROSA-N -1 0 304.349 -0.042 20 0 DBADRM C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)C[C@H]1O ZINC000492703912 266163660 /nfs/dbraw/zinc/16/36/60/266163660.db2.gz KWENMIKXOCYIKG-LLGAQUFESA-N -1 0 323.324 -0.178 20 0 DBADRM CCn1nccc1/C=C\C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000492741411 266164050 /nfs/dbraw/zinc/16/40/50/266164050.db2.gz VZYDQNWVNZKWGA-PLNGDYQASA-N -1 0 310.339 -0.450 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CNC(=O)/C=C\c1cccnc1 ZINC000493018587 266169300 /nfs/dbraw/zinc/16/93/00/266169300.db2.gz PNWYXISVWNTVGS-PLNGDYQASA-N -1 0 321.333 -0.229 20 0 DBADRM O=C(/C=C\COCC(F)(F)F)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000493144922 266170350 /nfs/dbraw/zinc/17/03/50/266170350.db2.gz FPFUMVBKUJZCPS-SLYZXXNYSA-N -1 0 321.255 -0.116 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)/C=C/c2ccnn2C)cnn1C ZINC000493359313 266174451 /nfs/dbraw/zinc/17/44/51/266174451.db2.gz VBHLVFOYPYTTFK-SNAWJCMRSA-N -1 0 309.351 -0.020 20 0 DBADRM O=C(/C=C\c1cccnc1)NCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000493378727 266175168 /nfs/dbraw/zinc/17/51/68/266175168.db2.gz CGPBLMCYKPMTBY-VSQXVHSFSA-N -1 0 319.317 -0.477 20 0 DBADRM C[C@@H](CC(=O)[O-])N(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000493350665 266175214 /nfs/dbraw/zinc/17/52/14/266175214.db2.gz JGVVVDRLEPCBRA-CYNONHLPSA-N -1 0 309.322 -0.581 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C\c1ccc(O)cc1 ZINC000493514598 266178153 /nfs/dbraw/zinc/17/81/53/266178153.db2.gz BUNZKJWCHLJZLU-DAXSKMNVSA-N -1 0 312.347 -0.013 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2cccnc2)CCS1(=O)=O ZINC000493501115 266178288 /nfs/dbraw/zinc/17/82/88/266178288.db2.gz VMGBGUDAFGSVPG-BYCRGOAPSA-N -1 0 310.331 -0.195 20 0 DBADRM O=C(/C=C/c1cccnc1)NCC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000493698479 266180946 /nfs/dbraw/zinc/18/09/46/266180946.db2.gz UNFICIXJTSXGOQ-BWPKMQGJSA-N -1 0 319.317 -0.429 20 0 DBADRM Cn1cc(/C=C\C(=O)NCCC(C)(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000493819648 266181414 /nfs/dbraw/zinc/18/14/14/266181414.db2.gz KFUMFPAAPJGLSH-WAYWQWQTSA-N -1 0 323.349 -0.286 20 0 DBADRM Cn1cc(/C=C/C(=O)NCCC(C)(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000493819647 266182533 /nfs/dbraw/zinc/18/25/33/266182533.db2.gz KFUMFPAAPJGLSH-AATRIKPKSA-N -1 0 323.349 -0.286 20 0 DBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000493995799 266184888 /nfs/dbraw/zinc/18/48/88/266184888.db2.gz UEZZVTGTBKWNPR-VIFPVBQESA-N -1 0 308.356 -0.252 20 0 DBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000493995798 266185795 /nfs/dbraw/zinc/18/57/95/266185795.db2.gz UEZZVTGTBKWNPR-SECBINFHSA-N -1 0 308.356 -0.252 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000494108920 266187801 /nfs/dbraw/zinc/18/78/01/266187801.db2.gz YJMBTVFGJJLBSG-UHFFFAOYSA-N -1 0 307.715 -0.104 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC ZINC000494297038 266191267 /nfs/dbraw/zinc/19/12/67/266191267.db2.gz ALWARMOZSNSRLR-ZETCQYMHSA-N -1 0 310.328 -0.870 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC2CN(S(C)(=O)=O)C2)o1 ZINC000494372391 266192646 /nfs/dbraw/zinc/19/26/46/266192646.db2.gz BHYGPMFRBSBULO-UHFFFAOYSA-N -1 0 308.381 -0.242 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC)nc1C ZINC000494362360 266192967 /nfs/dbraw/zinc/19/29/67/266192967.db2.gz HAJKQOMMTAFMIQ-ZETCQYMHSA-N -1 0 318.355 -0.239 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000495223391 266201954 /nfs/dbraw/zinc/20/19/54/266201954.db2.gz UBYGQLIEGDHXNA-VIFPVBQESA-N -1 0 308.356 -0.252 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000495371897 266203465 /nfs/dbraw/zinc/20/34/65/266203465.db2.gz LPBQEHVHXOOVBD-UHFFFAOYSA-N -1 0 301.324 -0.226 20 0 DBADRM CCOC(=O)N1CCC[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])C1 ZINC000495343841 266203668 /nfs/dbraw/zinc/20/36/68/266203668.db2.gz YJJBHASEBHPVCV-ZANVPECISA-N -1 0 302.327 -0.193 20 0 DBADRM CCOC(=O)N1CCC[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])C1 ZINC000495343839 266204178 /nfs/dbraw/zinc/20/41/78/266204178.db2.gz YJJBHASEBHPVCV-RNCFNFMXSA-N -1 0 302.327 -0.193 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000495487701 266207254 /nfs/dbraw/zinc/20/72/54/266207254.db2.gz PUUCEDAMMGCXTR-UHFFFAOYSA-N -1 0 323.371 -0.907 20 0 DBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)C(C)C ZINC000495553197 266208315 /nfs/dbraw/zinc/20/83/15/266208315.db2.gz JKIDURJLQPVYDR-QMMMGPOBSA-N -1 0 319.343 -0.999 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)N(CC)CC(=O)[O-])CC1 ZINC000495540170 266208801 /nfs/dbraw/zinc/20/88/01/266208801.db2.gz MTXRJSPQFVBHPT-UHFFFAOYSA-N -1 0 323.371 -0.588 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@H](CC)C(=O)[O-])CC1 ZINC000495567908 266209081 /nfs/dbraw/zinc/20/90/81/266209081.db2.gz ZADOSKLCEIVRQX-SECBINFHSA-N -1 0 323.371 -0.542 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000495591720 266210800 /nfs/dbraw/zinc/21/08/00/266210800.db2.gz XMPYKJSQGPQRCE-ZETCQYMHSA-N -1 0 316.339 -0.621 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000495738192 266216876 /nfs/dbraw/zinc/21/68/76/266216876.db2.gz JKQJETJDNCKSJA-UHFFFAOYSA-N -1 0 301.324 -0.226 20 0 DBADRM COC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)C1 ZINC000495858648 266219491 /nfs/dbraw/zinc/21/94/91/266219491.db2.gz WYAIWDJEQKKPJR-ZJUUUORDSA-N -1 0 322.383 -0.054 20 0 DBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1)C(C)C ZINC000496094698 266224946 /nfs/dbraw/zinc/22/49/46/266224946.db2.gz RDRMVIXMBUKPLR-UWVGGRQHSA-N -1 0 322.383 -0.008 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)OC[C@H]2CCCO2)CCS1(=O)=O ZINC000496110556 266226710 /nfs/dbraw/zinc/22/67/10/266226710.db2.gz XNNKFHNTPKGXIO-RKDXNWHRSA-N -1 0 307.324 -0.514 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000496366418 266234066 /nfs/dbraw/zinc/23/40/66/266234066.db2.gz XTKNUVDXZPIWIT-GZMMTYOYSA-N -1 0 307.306 -0.265 20 0 DBADRM C[C@H]1OC(=O)N[C@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000496518101 266237826 /nfs/dbraw/zinc/23/78/26/266237826.db2.gz ILRJYPBAXONQHE-QWWZWVQMSA-N -1 0 321.340 -0.655 20 0 DBADRM CN(C)C(=O)OC[C@H]1CCCCN1CC(=O)Nc1nn[nH]n1 ZINC000496590880 266240090 /nfs/dbraw/zinc/24/00/90/266240090.db2.gz YACZUSOIHGZIEA-SECBINFHSA-N -1 0 311.346 -0.309 20 0 DBADRM COC(=O)NCC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000497017844 266253070 /nfs/dbraw/zinc/25/30/70/266253070.db2.gz GQSJBNXYKDFQMM-SCZZXKLOSA-N -1 0 315.326 -0.831 20 0 DBADRM CC(C)COC(=O)N1CCCN(CC(=O)NCC(=O)[O-])CC1 ZINC000497063592 266253758 /nfs/dbraw/zinc/25/37/58/266253758.db2.gz NDSHXMCMWMZFPZ-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM C[C@H]1OC(=O)N[C@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000497039835 266253875 /nfs/dbraw/zinc/25/38/75/266253875.db2.gz WZTWUZCGBDCCOF-GMSGAONNSA-N -1 0 302.294 -0.020 20 0 DBADRM CCOCC(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C ZINC000497071374 266254195 /nfs/dbraw/zinc/25/41/95/266254195.db2.gz JTBFTGIMMYJVKF-UHFFFAOYSA-N -1 0 310.372 -0.006 20 0 DBADRM Cc1c(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)cnn1C ZINC000514822877 266264462 /nfs/dbraw/zinc/26/44/62/266264462.db2.gz NBGCIHJUYROTIO-PSASIEDQSA-N -1 0 303.340 -0.503 20 0 DBADRM Cc1c(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)cnn1C ZINC000514822879 266265075 /nfs/dbraw/zinc/26/50/75/266265075.db2.gz NBGCIHJUYROTIO-WCBMZHEXSA-N -1 0 303.340 -0.503 20 0 DBADRM O=C(CN1CCCNC1=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000514863660 266266204 /nfs/dbraw/zinc/26/62/04/266266204.db2.gz UXTRLGJSKHPHSF-VIFPVBQESA-N -1 0 308.342 -0.368 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-] ZINC000514941311 266267779 /nfs/dbraw/zinc/26/77/79/266267779.db2.gz CMFCVSQGRIDMLK-ZCFIWIBFSA-N -1 0 323.352 -0.521 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)CC12CCC(CC1)C2 ZINC000515191538 266269339 /nfs/dbraw/zinc/26/93/39/266269339.db2.gz FNEHKUPXYBXEQR-UHFFFAOYSA-N -1 0 304.368 -0.313 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000515176341 266269396 /nfs/dbraw/zinc/26/93/96/266269396.db2.gz JKZPLVRKJZRMMU-VHSXEESVSA-N -1 0 322.383 -0.688 20 0 DBADRM O=C([O-])[C@H](O)[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000515267143 266270565 /nfs/dbraw/zinc/27/05/65/266270565.db2.gz JXXJJWMYJLQYNL-OUAUKWLOSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ccc(Br)o1 ZINC000515497832 266273750 /nfs/dbraw/zinc/27/37/50/266273750.db2.gz AVBKLDVLYWZZCE-SCSAIBSYSA-N -1 0 314.113 -0.234 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)CCS1(=O)=O ZINC000516174609 266278601 /nfs/dbraw/zinc/27/86/01/266278601.db2.gz GTZOZAFRXWXLIC-RGOKHQFPSA-N -1 0 302.352 -0.322 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)C[C@H](C)CC(=O)[O-])CC1 ZINC000516314615 266280190 /nfs/dbraw/zinc/28/01/90/266280190.db2.gz BSKWNHUROKNKSH-JTQLQIEISA-N -1 0 306.384 -0.019 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](C)C(=O)[O-])cn1 ZINC000516290864 266280473 /nfs/dbraw/zinc/28/04/73/266280473.db2.gz ZLYIQEPWORIFAO-QMMMGPOBSA-N -1 0 315.351 -0.218 20 0 DBADRM CS(=O)(=O)Nc1ccc(CNC(=O)c2n[nH]c(=O)[n-]2)cc1 ZINC000516399897 266280743 /nfs/dbraw/zinc/28/07/43/266280743.db2.gz XQEGVNKOOYRKNV-UHFFFAOYSA-N -1 0 311.323 -0.188 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCCOC[C@H]1CCCO1 ZINC000516290944 266280909 /nfs/dbraw/zinc/28/09/09/266280909.db2.gz CQJPVFMYRMZWTE-SNVBAGLBSA-N -1 0 302.327 -0.721 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000516563613 266281349 /nfs/dbraw/zinc/28/13/49/266281349.db2.gz MLDKMSNJTLUWKS-UWVGGRQHSA-N -1 0 317.367 -0.113 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCCO[C@H]1CCOC1 ZINC000517134654 266290478 /nfs/dbraw/zinc/29/04/78/266290478.db2.gz QZNFSBBPDDAJPX-QWRGUYRKSA-N -1 0 322.383 -0.435 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000517236187 266291134 /nfs/dbraw/zinc/29/11/34/266291134.db2.gz MEWBHBQVOFFOJC-UHFFFAOYSA-N -1 0 321.337 -0.894 20 0 DBADRM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000517566423 266294532 /nfs/dbraw/zinc/29/45/32/266294532.db2.gz SGGFKLFBCQEVDA-IUCAKERBSA-N -1 0 311.342 -0.486 20 0 DBADRM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000517566420 266294868 /nfs/dbraw/zinc/29/48/68/266294868.db2.gz SGGFKLFBCQEVDA-BDAKNGLRSA-N -1 0 311.342 -0.486 20 0 DBADRM CCS(=O)(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC000517747069 266296138 /nfs/dbraw/zinc/29/61/38/266296138.db2.gz MDHBPJJIUAACDQ-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM CN1C[C@@H](NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CC1=O ZINC000517717940 266296884 /nfs/dbraw/zinc/29/68/84/266296884.db2.gz TYMSNQSLYWEQLY-JTQLQIEISA-N -1 0 302.290 -0.010 20 0 DBADRM O=C(NCCCn1nc2n(c1=O)CCCC2)c1n[nH]c(=O)[n-]1 ZINC000518062848 266297661 /nfs/dbraw/zinc/29/76/61/266297661.db2.gz IQIABKDPLZXVHS-UHFFFAOYSA-N -1 0 307.314 -0.975 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000517906798 266298734 /nfs/dbraw/zinc/29/87/34/266298734.db2.gz IGLPWKWHJOMWCV-DTWKUNHWSA-N -1 0 303.340 -0.503 20 0 DBADRM CC(C)(CCS(=O)(=O)NCCC(=O)[O-])S(C)(=O)=O ZINC000518528338 266301052 /nfs/dbraw/zinc/30/10/52/266301052.db2.gz XCVMTIKCEXHXQX-UHFFFAOYSA-N -1 0 301.386 -0.406 20 0 DBADRM Cn1[n-]nnc1=NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000518594905 266303551 /nfs/dbraw/zinc/30/35/51/266303551.db2.gz AZGBHJWONZRNLC-UHFFFAOYSA-N -1 0 316.774 -0.324 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000518541916 266303793 /nfs/dbraw/zinc/30/37/93/266303793.db2.gz DEXBLXPFXLSTDG-KXUCPTDWSA-N -1 0 306.384 -0.165 20 0 DBADRM CC(C)CO[C@H](C)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000518755726 266303860 /nfs/dbraw/zinc/30/38/60/266303860.db2.gz OAVXJNJQRVKKNO-NXEZZACHSA-N -1 0 307.368 -0.242 20 0 DBADRM CCOCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000518985256 266306029 /nfs/dbraw/zinc/30/60/29/266306029.db2.gz UFSWOEKALMRYRW-LLVKDONJSA-N -1 0 315.370 -0.854 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000520212952 266316907 /nfs/dbraw/zinc/31/69/07/266316907.db2.gz OOSYFOQISZQAQX-TUAOUCFPSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])C[C@@]1(NS(=O)(=O)CC[C@H]2CCOC2)CCOC1 ZINC000521426908 266325701 /nfs/dbraw/zinc/32/57/01/266325701.db2.gz TWOZETBVTYDLRC-PWSUYJOCSA-N -1 0 307.368 -0.034 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC(=O)N1 ZINC000521609692 266328465 /nfs/dbraw/zinc/32/84/65/266328465.db2.gz CRCKDAFVTVUSSW-AMJWSMQMSA-N -1 0 323.349 -0.953 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000521869596 266330301 /nfs/dbraw/zinc/33/03/01/266330301.db2.gz HXVKEWYNRHLYPG-SECBINFHSA-N -1 0 303.340 -0.407 20 0 DBADRM Cn1[n-]nnc1=NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000521671832 266330546 /nfs/dbraw/zinc/33/05/46/266330546.db2.gz KPYUPVSTFAOLLS-UHFFFAOYSA-N -1 0 316.369 -0.659 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000521885028 266332001 /nfs/dbraw/zinc/33/20/01/266332001.db2.gz KUMMJNAMVCFWFJ-CQSZACIVSA-N -1 0 317.305 -0.056 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000522749336 266336000 /nfs/dbraw/zinc/33/60/00/266336000.db2.gz YIWPQQXOGKFFBD-MRVPVSSYSA-N -1 0 311.367 -0.310 20 0 DBADRM O=C(NCCN1CCS(=O)(=O)CC1)c1cccc2n[nH]nc21 ZINC000527107146 266353514 /nfs/dbraw/zinc/35/35/14/266353514.db2.gz VSFVFVJHSCOKMY-UHFFFAOYSA-N -1 0 323.378 -0.582 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc2n[nH]nc21 ZINC000527108024 266353858 /nfs/dbraw/zinc/35/38/58/266353858.db2.gz WOKVVBFSDHBZGW-SNVBAGLBSA-N -1 0 317.305 -0.538 20 0 DBADRM CCOC(=O)c1cn(C)[n-]c1=NC(=O)N=c1ccn(CCO)[nH]1 ZINC000527084196 266353951 /nfs/dbraw/zinc/35/39/51/266353951.db2.gz NCWZIKBDVPBTLN-UHFFFAOYSA-N -1 0 322.325 -0.727 20 0 DBADRM COCCCn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cn1 ZINC000528951945 266382847 /nfs/dbraw/zinc/38/28/47/266382847.db2.gz XUOZZIBAHSTUCU-LLVKDONJSA-N -1 0 317.367 -0.232 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000528958188 266382909 /nfs/dbraw/zinc/38/29/09/266382909.db2.gz BAMMNLWUYHRURY-MMWGEVLESA-N -1 0 306.384 -0.261 20 0 DBADRM Cn1nccc1CC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000529103041 266383347 /nfs/dbraw/zinc/38/33/47/266383347.db2.gz CFZCRFPVXRQQIV-SNVBAGLBSA-N -1 0 301.368 -0.024 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)[C@]2(C)CCC(=O)NC2)CO1 ZINC000529109680 266383646 /nfs/dbraw/zinc/38/36/46/266383646.db2.gz RCGRMIMROLDESO-TVQRCGJNSA-N -1 0 318.395 -0.084 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)CO1 ZINC000529108414 266384231 /nfs/dbraw/zinc/38/42/31/266384231.db2.gz IEDZAHVOHDQDIP-MRVPVSSYSA-N -1 0 315.351 -0.259 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000529776839 266398816 /nfs/dbraw/zinc/39/88/16/266398816.db2.gz ANPBLJLTGBWCMV-FBCQKBJTSA-N -1 0 304.224 -0.130 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cc(C)no2)C1 ZINC000530151113 266405494 /nfs/dbraw/zinc/40/54/94/266405494.db2.gz HYEOBGYRICXZHP-LLVKDONJSA-N -1 0 304.324 -0.012 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)CCCO1 ZINC000530148369 266405647 /nfs/dbraw/zinc/40/56/47/266405647.db2.gz DFZGZTVIRWISHB-MRVPVSSYSA-N -1 0 303.340 -0.082 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1c(C(=O)[O-])cnn1C)C1CC1 ZINC000530151452 266405679 /nfs/dbraw/zinc/40/56/79/266405679.db2.gz BKPXEXBACUNAKO-SECBINFHSA-N -1 0 303.340 -0.178 20 0 DBADRM CCn1ncc(CNS(=O)(=O)c2csnc2C(=O)[O-])n1 ZINC000530151090 266406153 /nfs/dbraw/zinc/40/61/53/266406153.db2.gz MADBFYHLTVAALW-UHFFFAOYSA-N -1 0 317.352 -0.069 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000262826697 278095531 /nfs/dbraw/zinc/09/55/31/278095531.db2.gz QLSYKDLXRHRVHY-LLVKDONJSA-N -1 0 319.317 -0.546 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCN(C(C)=O)C1)[C@H](C)C(=O)[O-] ZINC000357767073 278107027 /nfs/dbraw/zinc/10/70/27/278107027.db2.gz WVERKNQNUSBGMY-SKDRFNHKSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@@H](C)C(=O)[O-] ZINC000262149331 278107062 /nfs/dbraw/zinc/10/70/62/278107062.db2.gz AOLMQMGPTAIOLU-ONGXEEELSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)C[C@@H]1CCCO1 ZINC000262429425 278112708 /nfs/dbraw/zinc/11/27/08/278112708.db2.gz OCAVPBWIJOBNRH-ONGXEEELSA-N -1 0 322.383 -0.594 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)[C@H]1CCOC1 ZINC000262396176 278112933 /nfs/dbraw/zinc/11/29/33/278112933.db2.gz JFYYPQDOYNSPFL-WPRPVWTQSA-N -1 0 308.356 -0.984 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000263473561 278113142 /nfs/dbraw/zinc/11/31/42/278113142.db2.gz IOMIWUBHIJGCFW-WCABBAIRSA-N -1 0 322.383 -0.595 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1c[nH]nc1C ZINC000275150696 278113467 /nfs/dbraw/zinc/11/34/67/278113467.db2.gz RPGHRGQOPWVAOG-MRVPVSSYSA-N -1 0 318.355 -0.682 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])n2)CCO1 ZINC000262374983 278120195 /nfs/dbraw/zinc/12/01/95/278120195.db2.gz HFOKFYUBIRUGOE-SNVBAGLBSA-N -1 0 307.306 -0.243 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)[nH][n-]1 ZINC000497133609 278419602 /nfs/dbraw/zinc/41/96/02/278419602.db2.gz REFXHVRCJCTVIT-VROVMSAKSA-N -1 0 308.338 -0.156 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N(C)C1CC(O)C1)C(=O)[O-] ZINC000424498218 279144158 /nfs/dbraw/zinc/14/41/58/279144158.db2.gz WQXHEANPZIBCSO-KPPDAEKUSA-N -1 0 300.355 -0.169 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000274904490 279259357 /nfs/dbraw/zinc/25/93/57/279259357.db2.gz IYDQQFRMFVUJQJ-QMMMGPOBSA-N -1 0 318.355 -0.854 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)CC(=O)N(C)C)C1=O ZINC000358714561 279800705 /nfs/dbraw/zinc/80/07/05/279800705.db2.gz MWIBCAGLLCBYDL-CABZTGNLSA-N -1 0 313.354 -0.709 20 0 DBADRM CC[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@]2(CCOC2)O1 ZINC000366522964 288276417 /nfs/dbraw/zinc/27/64/17/288276417.db2.gz SQMPNHLBDVGSKB-BONVTDFDSA-N -1 0 323.349 -0.104 20 0 DBADRM COCCn1cc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cn1 ZINC000275109177 292736989 /nfs/dbraw/zinc/73/69/89/292736989.db2.gz MRAPKKYURAQPPG-SNVBAGLBSA-N -1 0 319.339 -0.996 20 0 DBADRM CN1C(=O)c2ccc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)cc2C1=O ZINC000262154617 289858905 /nfs/dbraw/zinc/85/89/05/289858905.db2.gz MFMAMGRYZXOHCZ-HNNXBMFYSA-N -1 0 318.285 -0.114 20 0 DBADRM Cc1csc2ncc(C(=O)NC3(c4nnn[n-]4)CC3)c(=O)n12 ZINC000357065794 293077799 /nfs/dbraw/zinc/07/77/99/293077799.db2.gz AGFNMTSDZIZBGI-UHFFFAOYSA-N -1 0 317.334 -0.003 20 0 DBADRM COC[C@](C)([N-]S(=O)(=O)Cc1cc(C)on1)C(=O)OC ZINC000268238489 293258289 /nfs/dbraw/zinc/25/82/89/293258289.db2.gz MMSHPXDXXMCOFM-NSHDSACASA-N -1 0 306.340 -0.019 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC000167877068 293862050 /nfs/dbraw/zinc/86/20/50/293862050.db2.gz UCJVUBRWLKYQQQ-UTLUCORTSA-N -1 0 305.352 -0.346 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])C[C@H](C)O1 ZINC000088376643 297051930 /nfs/dbraw/zinc/05/19/30/297051930.db2.gz DFFFCJIRESEUTD-KXUCPTDWSA-N -1 0 308.356 -0.874 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C[C@@H](C)O1 ZINC000131793090 297056831 /nfs/dbraw/zinc/05/68/31/297056831.db2.gz ADOKMWRSGLGGDB-NXEZZACHSA-N -1 0 322.383 -0.436 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@]1(O)CCOC1 ZINC000270053827 295540708 /nfs/dbraw/zinc/54/07/08/295540708.db2.gz GFHALBLGRDAPAS-CYBMUJFWSA-N -1 0 314.363 -0.061 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)C1 ZINC000331586913 297213237 /nfs/dbraw/zinc/21/32/37/297213237.db2.gz XLFBTQMQKKSYAN-UVWXRNBGSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@@H]1C[C@H](C)[C@H](C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])O1 ZINC000333545370 297382771 /nfs/dbraw/zinc/38/27/71/297382771.db2.gz IOCIPHHGUDTZOQ-OKJYPTKPSA-N -1 0 310.310 -0.407 20 0 DBADRM C[C@@H]1Oc2ccccc2N(CC(=O)NC[C@@](C)(O)C(=O)[O-])C1=O ZINC000262511294 297655003 /nfs/dbraw/zinc/65/50/03/297655003.db2.gz MFBGBJUHJDUPJW-BJOHPYRUSA-N -1 0 322.317 -0.248 20 0 DBADRM C[C@@](O)(CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000090276334 297852088 /nfs/dbraw/zinc/85/20/88/297852088.db2.gz ICKLCCWPYUYZPK-QUBYGPBYSA-N -1 0 312.244 -0.651 20 0 DBADRM C[C@H](CNS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000274869831 298776942 /nfs/dbraw/zinc/77/69/42/298776942.db2.gz ALSKWHLHYOTALD-MRVPVSSYSA-N -1 0 311.323 -0.339 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000026467471 301672908 /nfs/dbraw/zinc/67/29/08/301672908.db2.gz QGJCJEKHAGSQGA-LLVKDONJSA-N -1 0 312.347 -0.041 20 0 DBADRM Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)C(=O)[O-] ZINC000368135086 302669635 /nfs/dbraw/zinc/66/96/35/302669635.db2.gz MXLYPNJSNQLGGM-LLVKDONJSA-N -1 0 302.290 -0.273 20 0 DBADRM Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)C(=O)[O-] ZINC000368135087 302670257 /nfs/dbraw/zinc/67/02/57/302670257.db2.gz MXLYPNJSNQLGGM-NSHDSACASA-N -1 0 302.290 -0.273 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000275110112 303248081 /nfs/dbraw/zinc/24/80/81/303248081.db2.gz RVIREBPNXSJXRF-ZETCQYMHSA-N -1 0 322.289 -0.038 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000088376552 303345202 /nfs/dbraw/zinc/34/52/02/303345202.db2.gz PFQPHLNQTFXAPS-JTQLQIEISA-N -1 0 314.319 -0.740 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000275091294 303347366 /nfs/dbraw/zinc/34/73/66/303347366.db2.gz KFRVDFNHNPMFMP-SNVBAGLBSA-N -1 0 314.319 -0.740 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000359801515 303814063 /nfs/dbraw/zinc/81/40/63/303814063.db2.gz LGYYRELCVNMWOC-UWVGGRQHSA-N -1 0 323.353 -0.313 20 0 DBADRM Cc1[n-]n(CC(C)C)c(=O)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000332775415 332868712 /nfs/dbraw/zinc/86/87/12/332868712.db2.gz DTZTYMLWWYDMIK-GHMZBOCLSA-N -1 0 315.395 -0.220 20 0 DBADRM CN(C[C@H]1CCOC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000399506560 331482709 /nfs/dbraw/zinc/48/27/09/331482709.db2.gz CNEXGLXADYDQTA-SECBINFHSA-N -1 0 303.340 -0.375 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1C ZINC000584057264 331656626 /nfs/dbraw/zinc/65/66/26/331656626.db2.gz XGTDNOXQAAQDDZ-FXQIFTODSA-N -1 0 310.397 -0.359 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cnc2ccccc2c1 ZINC000568783445 331803616 /nfs/dbraw/zinc/80/36/16/331803616.db2.gz SSYSXENGEINFAA-UHFFFAOYSA-N -1 0 323.330 -0.286 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NCCCC(=O)[O-] ZINC000569123733 331827735 /nfs/dbraw/zinc/82/77/35/331827735.db2.gz WDVKDYJAIDLHKE-ZJUUUORDSA-N -1 0 302.327 -0.722 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000566174376 332018097 /nfs/dbraw/zinc/01/80/97/332018097.db2.gz QBKQQAYIZJVEFM-ZNSHCXBVSA-N -1 0 304.368 -0.063 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000569605008 332198697 /nfs/dbraw/zinc/19/86/97/332198697.db2.gz DTNLGDZSWUTCRS-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM CC(C)(C)c1nnc2n1CCN(C(=O)C(=O)NCCC(=O)[O-])C2 ZINC000573744052 332274295 /nfs/dbraw/zinc/27/42/95/332274295.db2.gz XXJXDMMEDUJVRS-UHFFFAOYSA-N -1 0 323.353 -0.491 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC000566240596 332274347 /nfs/dbraw/zinc/27/43/47/332274347.db2.gz HXAATTDLUOXTDM-MRTMQBJTSA-N -1 0 303.340 -0.329 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)CCCCO)C[C@@H]1C(=O)[O-] ZINC000574084225 332317024 /nfs/dbraw/zinc/31/70/24/332317024.db2.gz KTFXWQSGNMIQAD-QWRGUYRKSA-N -1 0 300.355 -0.214 20 0 DBADRM Cn1cc(-c2cc(CN3CCN(C(=O)C(=O)[O-])CC3)on2)cn1 ZINC000566300748 332323608 /nfs/dbraw/zinc/32/36/08/332323608.db2.gz JKMJMZMYBPXNHK-UHFFFAOYSA-N -1 0 319.321 -0.196 20 0 DBADRM COCCOC1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000574514673 332384503 /nfs/dbraw/zinc/38/45/03/332384503.db2.gz AARBLHZREVSZQS-UHFFFAOYSA-N -1 0 319.339 -0.996 20 0 DBADRM C[C@@H]1CN(C(=O)N2CCS(=O)(=O)CC2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC000574813020 332432135 /nfs/dbraw/zinc/43/21/35/332432135.db2.gz MMZOJTUTZKYOFQ-UTLUCORTSA-N -1 0 320.367 -0.601 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])o1 ZINC000569932015 332694872 /nfs/dbraw/zinc/69/48/72/332694872.db2.gz TXVYDWJTVPYZOQ-MRVPVSSYSA-N -1 0 323.348 -0.540 20 0 DBADRM COC(=O)c1csc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])c1 ZINC000570107096 332713136 /nfs/dbraw/zinc/71/31/36/332713136.db2.gz DPAYWTAGJOBMOV-ZETCQYMHSA-N -1 0 323.348 -0.087 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C(=O)[O-])C(C)C)C1 ZINC000580327423 333192656 /nfs/dbraw/zinc/19/26/56/333192656.db2.gz KYTSMBXOUZLZTG-NXEZZACHSA-N -1 0 306.384 -0.117 20 0 DBADRM CN1C[C@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)CC1=O ZINC000388353411 333279501 /nfs/dbraw/zinc/27/95/01/333279501.db2.gz MHGARNAYGCLHGB-ZCFIWIBFSA-N -1 0 304.349 -0.045 20 0 DBADRM CN(C)S(=O)(=O)N1CCC([C@@H]2OCC[C@@H]2C(=O)[O-])CC1 ZINC000567808204 333321233 /nfs/dbraw/zinc/32/12/33/333321233.db2.gz ISSXHWFLBKKESU-QWRGUYRKSA-N -1 0 306.384 -0.006 20 0 DBADRM C[C@@H]([C@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)[O-])C1CC1 ZINC000575926956 333515554 /nfs/dbraw/zinc/51/55/54/333515554.db2.gz OOULGFYVZCZURW-WEDXCCLWSA-N -1 0 306.384 -0.118 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@H]1C(=O)[O-] ZINC000567471516 333652773 /nfs/dbraw/zinc/65/27/73/333652773.db2.gz PCNVBCSPLDZPRB-AEJSXWLSSA-N -1 0 310.372 -0.628 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000571400595 333782481 /nfs/dbraw/zinc/78/24/81/333782481.db2.gz RGNKNVBRQCIZPO-ZETCQYMHSA-N -1 0 324.380 -0.186 20 0 DBADRM COC(=O)[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)CC1CC1 ZINC000571531351 333814405 /nfs/dbraw/zinc/81/44/05/333814405.db2.gz KLUNMCJSEQRSBW-VIFPVBQESA-N -1 0 309.322 -0.195 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)[O-] ZINC000379295403 336263713 /nfs/dbraw/zinc/26/37/13/336263713.db2.gz MLODOFVMKPDVJG-DTWKUNHWSA-N -1 0 308.356 -0.431 20 0 DBADRM COC(=O)Cc1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])s1 ZINC000582497874 337102053 /nfs/dbraw/zinc/10/20/53/337102053.db2.gz FZCIKOWZBZTQEO-SSDOTTSWSA-N -1 0 323.348 -0.813 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)cn1 ZINC000582582767 337109795 /nfs/dbraw/zinc/10/97/95/337109795.db2.gz KMZDLEGWAWCQMT-KOLCDFICSA-N -1 0 317.367 -0.251 20 0 DBADRM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000394293522 337113692 /nfs/dbraw/zinc/11/36/92/337113692.db2.gz PWAVWVHMTLMEOW-CDJGPZEFSA-N -1 0 306.322 -0.142 20 0 DBADRM CC[C@H]1CN(CCNC(=O)c2cnc([O-])n(C)c2=O)CCO1 ZINC000582702207 337122162 /nfs/dbraw/zinc/12/21/62/337122162.db2.gz YWBJILDOVFHDCF-JTQLQIEISA-N -1 0 310.354 -0.674 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccn(C)n2)C1 ZINC000582843627 337208338 /nfs/dbraw/zinc/20/83/38/337208338.db2.gz RHQIFIFMKYVKTK-LBPRGKRZSA-N -1 0 317.367 -0.078 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCc3onc(C(=O)[O-])c3C2)cn1 ZINC000584376006 337232665 /nfs/dbraw/zinc/23/26/65/337232665.db2.gz RWUGNGUNKGPFDC-UHFFFAOYSA-N -1 0 312.307 -0.147 20 0 DBADRM C[C@H](CC(=O)[O-])N(CCO)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000583158861 337247942 /nfs/dbraw/zinc/24/79/42/337247942.db2.gz SUJOORKWOKGVTI-ZJUUUORDSA-N -1 0 322.383 -0.617 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(c2nc3[nH][nH]cc-3c(=N)n2)CC1 ZINC000584410393 337321073 /nfs/dbraw/zinc/32/10/73/337321073.db2.gz BIGCAOSHUZLORK-QFIPXVFZSA-N -1 0 324.366 -0.481 20 0 DBADRM CC(C)(NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000583745223 337328472 /nfs/dbraw/zinc/32/84/72/337328472.db2.gz JVBJLLKFYRRENM-UHFFFAOYSA-N -1 0 311.323 -0.196 20 0 DBADRM CC1CCN(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CC1 ZINC000021012873 337333386 /nfs/dbraw/zinc/33/33/86/337333386.db2.gz CFRAORNTEQBQOZ-NSHDSACASA-N -1 0 316.383 -0.028 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](CC)C(=O)[O-] ZINC000035410767 337343453 /nfs/dbraw/zinc/34/34/53/337343453.db2.gz GZNQIMQHQGXKET-RKDXNWHRSA-N -1 0 308.356 -0.289 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC000584507640 337352362 /nfs/dbraw/zinc/35/23/62/337352362.db2.gz SJMHRCXDNORAOA-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000220085936 337353502 /nfs/dbraw/zinc/35/35/02/337353502.db2.gz BPVCXMQNUYKKFB-LMLFDSFASA-N -1 0 304.368 -0.041 20 0 DBADRM CCn1cnc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)c1 ZINC000584540672 337359724 /nfs/dbraw/zinc/35/97/24/337359724.db2.gz HQZRMVFVNZQBJM-ONGXEEELSA-N -1 0 317.367 -0.251 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCNS(=O)(=O)c1cccs1 ZINC000036975087 337361539 /nfs/dbraw/zinc/36/15/39/337361539.db2.gz HGVMRQWSUUIINS-UHFFFAOYSA-N -1 0 306.365 -0.041 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000583869898 337362648 /nfs/dbraw/zinc/36/26/48/337362648.db2.gz MTDWALDAMNUVLF-UHFFFAOYSA-N -1 0 301.386 -0.454 20 0 DBADRM COCCOc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000037418703 337363681 /nfs/dbraw/zinc/36/36/81/337363681.db2.gz KWPZTEFMACWUNP-LLVKDONJSA-N -1 0 319.335 -0.564 20 0 DBADRM CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037464742 337364036 /nfs/dbraw/zinc/36/40/36/337364036.db2.gz CWEWHTHNRGLHQC-ZETCQYMHSA-N -1 0 323.348 -0.215 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cnn3c2OCCC3)CCO1 ZINC000572034016 337587519 /nfs/dbraw/zinc/58/75/19/337587519.db2.gz OXDNMBVJDXDRNF-QMMMGPOBSA-N -1 0 317.323 -0.860 20 0 DBADRM O=C([O-])[C@H](NC(=O)NCCCn1ccnn1)[C@H]1CCCOC1 ZINC000572198111 337596432 /nfs/dbraw/zinc/59/64/32/337596432.db2.gz NFCLWUZVJCVWRY-WDEREUQCSA-N -1 0 311.342 -0.153 20 0 DBADRM COC(=O)[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1)OC ZINC000572243134 337600011 /nfs/dbraw/zinc/60/00/11/337600011.db2.gz NCCUKGBACYISAG-JTQLQIEISA-N -1 0 324.289 -0.373 20 0 DBADRM Cn1cc(C[C@H](CNS(=O)(=O)CCCC#N)C(=O)[O-])cn1 ZINC000547564482 341222293 /nfs/dbraw/zinc/22/22/93/341222293.db2.gz HULFGCQWAMKTFY-LLVKDONJSA-N -1 0 314.367 -0.113 20 0 DBADRM Cn1cc(C[C@@H](CNS(=O)(=O)CCCC#N)C(=O)[O-])cn1 ZINC000547564484 341222332 /nfs/dbraw/zinc/22/23/32/341222332.db2.gz HULFGCQWAMKTFY-NSHDSACASA-N -1 0 314.367 -0.113 20 0 DBADRM CN(CCC#N)S(=O)(=O)N[C@H](Cc1ccco1)C(=O)[O-] ZINC000547572594 341222372 /nfs/dbraw/zinc/22/23/72/341222372.db2.gz WHMDJGMGZDKMCF-SNVBAGLBSA-N -1 0 301.324 -0.045 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000566115768 341548223 /nfs/dbraw/zinc/54/82/23/341548223.db2.gz GPGMZEAOFAXAQC-JTQLQIEISA-N -1 0 313.339 -0.259 20 0 DBADRM COc1ccnc(CNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])n1 ZINC000566178259 341549997 /nfs/dbraw/zinc/54/99/97/341549997.db2.gz XZOITOINUZQBON-MRVPVSSYSA-N -1 0 316.339 -0.631 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCc2ccn(C)n2)C[C@@H]1C(=O)[O-] ZINC000566243006 341551667 /nfs/dbraw/zinc/55/16/67/341551667.db2.gz QKWZBTBXXJLUGB-JQWIXIFHSA-N -1 0 322.365 -0.352 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000566313408 341553659 /nfs/dbraw/zinc/55/36/59/341553659.db2.gz VWZJEANFPBHKEB-VIFPVBQESA-N -1 0 310.372 -0.784 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)CCC(F)(F)F)C(=O)[O-] ZINC000566311497 341553742 /nfs/dbraw/zinc/55/37/42/341553742.db2.gz FISFHZAOUVHVSG-YFKPBYRVSA-N -1 0 307.246 -0.126 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])o1 ZINC000566311427 341553785 /nfs/dbraw/zinc/55/37/85/341553785.db2.gz CQTMKAANQYKTLG-DCXZOGHSSA-N -1 0 307.349 -0.206 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000566448703 341558310 /nfs/dbraw/zinc/55/83/10/341558310.db2.gz CBLPDYYJEXGWKY-ZJUUUORDSA-N -1 0 302.294 -0.182 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-] ZINC000567171168 341584082 /nfs/dbraw/zinc/58/40/82/341584082.db2.gz YFSZOUCIHCLHIA-IUCAKERBSA-N -1 0 324.399 -0.349 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000567324175 341594836 /nfs/dbraw/zinc/59/48/36/341594836.db2.gz QZVPSUBIFNWZMG-ZJUUUORDSA-N -1 0 305.356 -0.401 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCCCS(N)(=O)=O)C[C@H]1C(=O)[O-] ZINC000567382360 341600292 /nfs/dbraw/zinc/60/02/92/341600292.db2.gz DMTLDPZZIZWFEK-NXEZZACHSA-N -1 0 321.399 -0.193 20 0 DBADRM CN(CCn1cccn1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000567609478 341619947 /nfs/dbraw/zinc/61/99/47/341619947.db2.gz KOFLSJLNPDHTFN-UHFFFAOYSA-N -1 0 313.339 -0.515 20 0 DBADRM COC[C@@H](NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(C)C ZINC000567673568 341626609 /nfs/dbraw/zinc/62/66/09/341626609.db2.gz LILSXGQHCLZGAM-NXEZZACHSA-N -1 0 322.383 -0.449 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC000567726701 341630124 /nfs/dbraw/zinc/63/01/24/341630124.db2.gz RZUQOOQSFFCFBH-NSHDSACASA-N -1 0 303.340 -0.185 20 0 DBADRM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H]1OC ZINC000567794417 341633784 /nfs/dbraw/zinc/63/37/84/341633784.db2.gz XAWUIJGJVUTPLD-HLTSFMKQSA-N -1 0 319.339 -0.421 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-] ZINC000158599914 341659962 /nfs/dbraw/zinc/65/99/62/341659962.db2.gz CICPFHWDAIIZBU-VIFPVBQESA-N -1 0 315.307 -0.766 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]2(C)CO)C[C@H]1C(=O)[O-] ZINC000568628752 341676865 /nfs/dbraw/zinc/67/68/65/341676865.db2.gz YVVDOZDGLVPSCE-UEKVPHQBSA-N -1 0 312.366 -0.071 20 0 DBADRM Cn1ccnc(N2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)c1=O ZINC000572726331 341702030 /nfs/dbraw/zinc/70/20/30/341702030.db2.gz SCNKZAGPSHUTBZ-UHFFFAOYSA-N -1 0 306.322 -0.706 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000572787041 341704131 /nfs/dbraw/zinc/70/41/31/341704131.db2.gz OLCUSSGTCWMFKZ-MRVPVSSYSA-N -1 0 303.292 -0.207 20 0 DBADRM CS(=O)(=O)CCCNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC000572838800 341705995 /nfs/dbraw/zinc/70/59/95/341705995.db2.gz NNTJHLVSGQWEGN-UHFFFAOYSA-N -1 0 322.364 -0.507 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)n1 ZINC000574154673 341750323 /nfs/dbraw/zinc/75/03/23/341750323.db2.gz LOYKMOWWKDOFEV-PSASIEDQSA-N -1 0 303.340 -0.422 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cncc(F)c1)C(=O)[O-] ZINC000168815961 341752495 /nfs/dbraw/zinc/75/24/95/341752495.db2.gz DHOJZQBSIHBNIT-SECBINFHSA-N -1 0 320.298 -0.095 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC000574850776 341770893 /nfs/dbraw/zinc/77/08/93/341770893.db2.gz QHIKRGNQUGXZLY-PSASIEDQSA-N -1 0 311.381 -0.843 20 0 DBADRM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000575398411 341796097 /nfs/dbraw/zinc/79/60/97/341796097.db2.gz LNTOTRIVWKIHSQ-ZCFIWIBFSA-N -1 0 311.337 -0.311 20 0 DBADRM NS(=O)(=O)c1ccc(N[C@H]2CC[S@@](=O)C2)c(C(=O)[O-])c1 ZINC000576758394 341861840 /nfs/dbraw/zinc/86/18/40/341861840.db2.gz OYTGGDQXTYTXFI-ZDVLTJLQSA-N -1 0 318.376 -0.035 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@@H](CC(=O)CC)C(=O)[O-] ZINC000577038509 341879597 /nfs/dbraw/zinc/87/95/97/341879597.db2.gz JYNVRPTWRIJSRX-VIFPVBQESA-N -1 0 309.340 -0.319 20 0 DBADRM C/C=C\C[C@@H](NC(=O)CNS(=O)(=O)CCCOC)C(=O)[O-] ZINC000577259119 341900732 /nfs/dbraw/zinc/90/07/32/341900732.db2.gz FQYFVZQXYKPAFV-UMBAGQNISA-N -1 0 322.383 -0.522 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000577651307 341927403 /nfs/dbraw/zinc/92/74/03/341927403.db2.gz GACXSAGPZSVXEY-CIUDSAMLSA-N -1 0 306.384 -0.070 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCCCN1CCCCC1=O ZINC000577850849 341943084 /nfs/dbraw/zinc/94/30/84/341943084.db2.gz PIIVMDTYJXYZSO-UHFFFAOYSA-N -1 0 313.354 -0.514 20 0 DBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@H]1CCCO1)C2 ZINC000577851138 341943086 /nfs/dbraw/zinc/94/30/86/341943086.db2.gz QFBCSEATQZCRCQ-FIXISWKDSA-N -1 0 310.350 -0.005 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)N(CCO)CC(=O)[O-])s1 ZINC000577956153 341958004 /nfs/dbraw/zinc/95/80/04/341958004.db2.gz UBFKDIDVOISOMT-UHFFFAOYSA-N -1 0 323.352 -0.831 20 0 DBADRM Cn1cccc1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000577963584 341959839 /nfs/dbraw/zinc/95/98/39/341959839.db2.gz GEPZPBLDAOOPLT-KOLCDFICSA-N -1 0 302.352 -0.129 20 0 DBADRM Cn1cccc1S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000577963583 341959895 /nfs/dbraw/zinc/95/98/95/341959895.db2.gz GEPZPBLDAOOPLT-GXSJLCMTSA-N -1 0 302.352 -0.129 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000338016085 521655489 /nfs/dbraw/zinc/65/54/89/521655489.db2.gz KDJHWOKRTUJVMV-SSDOTTSWSA-N -1 0 322.412 -0.113 20 0 DBADRM COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000492882481 533882970 /nfs/dbraw/zinc/88/29/70/533882970.db2.gz MPZITEHYOQRHNI-UHFFFAOYSA-N -1 0 323.371 -0.842 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC ZINC000497218406 534071432 /nfs/dbraw/zinc/07/14/32/534071432.db2.gz JEVJSMWPGQRZRU-YUMQZZPRSA-N -1 0 324.355 -0.624 20 0 DBADRM CN(C)c1nccc(CN2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])n1 ZINC000424414597 517918726 /nfs/dbraw/zinc/91/87/26/517918726.db2.gz QTXGDKQOKUSEHN-VIFPVBQESA-N -1 0 319.325 -0.691 20 0 DBADRM CC(=O)NCC(=O)NCCN1c2ccccc2[N-]S1(=O)=O ZINC000357710793 534335568 /nfs/dbraw/zinc/33/55/68/534335568.db2.gz JNOFRZAGNXQCOH-UHFFFAOYSA-N -1 0 312.351 -0.584 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000262971786 518967890 /nfs/dbraw/zinc/96/78/90/518967890.db2.gz PUOQGXHOQLFDBT-RKDXNWHRSA-N -1 0 306.384 -0.117 20 0 DBADRM CC(C)C[C@@H](CNC(=O)NC[C@H]1CC(C(N)=O)=NO1)C(=O)[O-] ZINC000263046483 519209543 /nfs/dbraw/zinc/20/95/43/519209543.db2.gz JXBCTUOCSCZYHP-DTWKUNHWSA-N -1 0 314.342 -0.337 20 0 DBADRM CC(C)N(CC(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000037994458 519637782 /nfs/dbraw/zinc/63/77/82/519637782.db2.gz COMCGXSAMFADIT-UHFFFAOYSA-N -1 0 303.340 -0.392 20 0 DBADRM CC(=O)NCCN(C(=O)c1nccn2ccnc12)[C@@H](C)C(=O)[O-] ZINC000262176326 519661587 /nfs/dbraw/zinc/66/15/87/519661587.db2.gz DWMYHETZXGCUEQ-VIFPVBQESA-N -1 0 319.321 -0.219 20 0 DBADRM CC(=O)NCCN(C(=O)Cn1nc(C)cc1C)[C@H](C)C(=O)[O-] ZINC000262199882 519661700 /nfs/dbraw/zinc/66/17/00/519661700.db2.gz IGTQFUMSBMZGBO-LLVKDONJSA-N -1 0 310.354 -0.062 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)NC1CCCC1 ZINC000263506860 519662892 /nfs/dbraw/zinc/66/28/92/519662892.db2.gz WAIMRYLWTSLYQV-SECBINFHSA-N -1 0 321.399 -0.325 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1CCC[C@@H]1C ZINC000262463617 519663080 /nfs/dbraw/zinc/66/30/80/519663080.db2.gz SQKRMHCBPICFSP-VHSXEESVSA-N -1 0 321.399 -0.373 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000261790780 519680914 /nfs/dbraw/zinc/68/09/14/519680914.db2.gz XUZGAXIKCQEKCQ-QMMMGPOBSA-N -1 0 307.306 -0.036 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000263047293 519769425 /nfs/dbraw/zinc/76/94/25/519769425.db2.gz WNHLDLUNWLOTOS-JTQLQIEISA-N -1 0 324.399 -0.490 20 0 DBADRM CC(C)[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000346000251 519797401 /nfs/dbraw/zinc/79/74/01/519797401.db2.gz UPIAQSNRSFAZAB-SNVBAGLBSA-N -1 0 307.310 -0.645 20 0 DBADRM CC(C)[C@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000262920520 519820460 /nfs/dbraw/zinc/82/04/60/519820460.db2.gz VCTGXANCZUCFQM-VIFPVBQESA-N -1 0 320.305 -0.127 20 0 DBADRM CCCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000263276983 519871550 /nfs/dbraw/zinc/87/15/50/519871550.db2.gz NLZOMWYWZSUOAN-JTQLQIEISA-N -1 0 315.370 -0.366 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000262659665 520052017 /nfs/dbraw/zinc/05/20/17/520052017.db2.gz LKFGIUZXSZLDMF-JTQLQIEISA-N -1 0 322.383 -0.592 20 0 DBADRM CCOCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccn(C)n1 ZINC000345634846 520056337 /nfs/dbraw/zinc/05/63/37/520056337.db2.gz TYRDEIRKDBOZNU-JTQLQIEISA-N -1 0 305.356 -0.410 20 0 DBADRM CCOC[C@H](O)C[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000336841609 520160772 /nfs/dbraw/zinc/16/07/72/520160772.db2.gz SDOXXFCPJHIMQV-SSDOTTSWSA-N -1 0 324.380 -0.395 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cnc2sccn2c1=O ZINC000447631639 534501459 /nfs/dbraw/zinc/50/14/59/534501459.db2.gz AAVGVXOFXVUJRB-UHFFFAOYSA-N -1 0 307.291 -0.595 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cc(-n2cccn2)ccn1 ZINC000447634708 534501606 /nfs/dbraw/zinc/50/16/06/534501606.db2.gz ULMDHSGMSMRUOD-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM CCC[C@@H](NC(=O)CCC(=O)N1CCOCC1)c1nnn[n-]1 ZINC000343772421 520728016 /nfs/dbraw/zinc/72/80/16/520728016.db2.gz ZPGLNOSRXLDORY-SNVBAGLBSA-N -1 0 310.358 -0.204 20 0 DBADRM CCC[C@@H](NC(=O)CN1CCCS1(=O)=O)c1nnn[n-]1 ZINC000343741494 520732058 /nfs/dbraw/zinc/73/20/58/520732058.db2.gz KJSWKLCQJXPAGX-MRVPVSSYSA-N -1 0 302.360 -0.807 20 0 DBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C)C(N)=O ZINC000346435409 520815967 /nfs/dbraw/zinc/81/59/67/520815967.db2.gz CVTNCZKHBLMIOW-RITPCOANSA-N -1 0 320.289 -0.336 20 0 DBADRM CCOC(=O)N1CCC(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000267555892 520929125 /nfs/dbraw/zinc/92/91/25/520929125.db2.gz FRRNQOQBKSNVCM-UHFFFAOYSA-N -1 0 324.337 -0.163 20 0 DBADRM CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)CC1 ZINC000360406859 520945623 /nfs/dbraw/zinc/94/56/23/520945623.db2.gz IVPRKSFSOUOODB-UHFFFAOYSA-N -1 0 311.382 -0.090 20 0 DBADRM CCC[C@H](NC(=O)CS(=O)(=O)N(CC)CC)c1nnn[n-]1 ZINC000343759225 521126425 /nfs/dbraw/zinc/12/64/25/521126425.db2.gz BOGYEKCHIYWNME-VIFPVBQESA-N -1 0 318.403 -0.171 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000037932300 521127384 /nfs/dbraw/zinc/12/73/84/521127384.db2.gz OIEGFTKOGGCBLQ-VIFPVBQESA-N -1 0 308.356 -0.335 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H](C(=O)OCC)N1Cc1n[nH]c(=O)[n-]1 ZINC000338321055 521132077 /nfs/dbraw/zinc/13/20/77/521132077.db2.gz GENFWCCUSFKAOX-IUCAKERBSA-N -1 0 312.326 -0.031 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N[C@@](C)(COC)C(=O)[O-] ZINC000262152428 521161722 /nfs/dbraw/zinc/16/17/22/521161722.db2.gz UCPOSWXYTHHGKZ-PELKAZGASA-N -1 0 304.368 -0.096 20 0 DBADRM CCOC(=O)[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000267558690 521294669 /nfs/dbraw/zinc/29/46/69/521294669.db2.gz GPGYUIGOTUNBGK-VIFPVBQESA-N -1 0 309.322 -0.099 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000262360809 521556374 /nfs/dbraw/zinc/55/63/74/521556374.db2.gz ITAGAKMXDSKHGQ-UHFFFAOYSA-N -1 0 318.355 -0.756 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000037792610 521662504 /nfs/dbraw/zinc/66/25/04/521662504.db2.gz NOLRYEQECBPYTR-ZJUUUORDSA-N -1 0 304.368 -0.363 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)CCC(=O)[O-])C1 ZINC000262985178 521664006 /nfs/dbraw/zinc/66/40/06/521664006.db2.gz NSHGHWYZTUOWHB-JTQLQIEISA-N -1 0 306.384 -0.019 20 0 DBADRM CCN1CCN(CC(=O)[N-]OCc2cccnc2)C(=O)C1=O ZINC000269526117 521675915 /nfs/dbraw/zinc/67/59/15/521675915.db2.gz OPTFNDGKHVXZIG-UHFFFAOYSA-N -1 0 306.322 -0.680 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000347424795 521737579 /nfs/dbraw/zinc/73/75/79/521737579.db2.gz UZCBBHGWMWIBLR-UHFFFAOYSA-N -1 0 313.383 -0.552 20 0 DBADRM COCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)CCO)cc1 ZINC000265614096 521769270 /nfs/dbraw/zinc/76/92/70/521769270.db2.gz IDTJMSFLAQDBIU-UHFFFAOYSA-N -1 0 323.392 -0.159 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])cn1 ZINC000262910112 521798291 /nfs/dbraw/zinc/79/82/91/521798291.db2.gz HHUUCUHHTYHZBZ-ONGXEEELSA-N -1 0 307.306 -0.245 20 0 DBADRM COCC[C@H](NC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)[O-] ZINC000262319631 521957567 /nfs/dbraw/zinc/95/75/67/521957567.db2.gz RQQVWPIURVCRTP-NSHDSACASA-N -1 0 319.321 -0.054 20 0 DBADRM COCCn1cc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cn1 ZINC000261742185 522115249 /nfs/dbraw/zinc/11/52/49/522115249.db2.gz UZCFIQVBIKNIAN-JTQLQIEISA-N -1 0 303.340 -0.233 20 0 DBADRM CC[C@H](CCO)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000129323668 522140512 /nfs/dbraw/zinc/14/05/12/522140512.db2.gz YPHWHIONIBRITC-MRVPVSSYSA-N -1 0 306.322 -0.250 20 0 DBADRM CC[C@H](CO)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269742832 522227745 /nfs/dbraw/zinc/22/77/45/522227745.db2.gz VFAUZIGAJPCAOI-ZCFIWIBFSA-N -1 0 314.323 -0.515 20 0 DBADRM CN(CC(=O)NCCC(=O)[O-])S(=O)(=O)c1cccnc1 ZINC000262250140 522473149 /nfs/dbraw/zinc/47/31/49/522473149.db2.gz QLGNCZQYSKARTH-UHFFFAOYSA-N -1 0 301.324 -0.707 20 0 DBADRM COC[C@@](C)(NC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000345883134 522525073 /nfs/dbraw/zinc/52/50/73/522525073.db2.gz JXMFVYWJCREWPY-CQSZACIVSA-N -1 0 320.305 -0.603 20 0 DBADRM COCC(=O)N(C)CC(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000338028173 522721318 /nfs/dbraw/zinc/72/13/18/522721318.db2.gz KCYGOAJDQFMOOD-ZETCQYMHSA-N -1 0 302.356 -0.289 20 0 DBADRM COCC1(C(=O)[O-])CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000366497530 522852727 /nfs/dbraw/zinc/85/27/27/522852727.db2.gz ZVKAEDWDHABYDU-UHFFFAOYSA-N -1 0 317.367 -0.078 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000262346020 523060496 /nfs/dbraw/zinc/06/04/96/523060496.db2.gz AGLGVIGMSIKHNS-NSHDSACASA-N -1 0 308.356 -0.477 20 0 DBADRM COCc1ccccc1CS(=O)(=O)[N-][C@H](CO)C(=O)OC ZINC000344715923 523108694 /nfs/dbraw/zinc/10/86/94/523108694.db2.gz PMMJKOKSDVNDFK-GFCCVEGCSA-N -1 0 317.363 -0.214 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)NC1(CC(=O)[O-])CCC1 ZINC000262050217 523432506 /nfs/dbraw/zinc/43/25/06/523432506.db2.gz AHTFFWWCODWANV-UHFFFAOYSA-N -1 0 322.383 -0.544 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000262225839 523433344 /nfs/dbraw/zinc/43/33/44/523433344.db2.gz XRBMPINNCDGVIH-SNVBAGLBSA-N -1 0 310.372 -0.832 20 0 DBADRM CO[C@@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)[O-] ZINC000227277512 523533899 /nfs/dbraw/zinc/53/38/99/523533899.db2.gz PELKGRSXTROLCK-QMMMGPOBSA-N -1 0 320.323 -0.641 20 0 DBADRM COCCN(C(=O)c1cnc([O-])n(C)c1=O)[C@H]1CCO[C@H]1C ZINC000331219962 523557101 /nfs/dbraw/zinc/55/71/01/523557101.db2.gz XZPPYKIEWQJBQA-ONGXEEELSA-N -1 0 311.338 -0.248 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000372495860 523625467 /nfs/dbraw/zinc/62/54/67/523625467.db2.gz IVPHSKQURMQTQD-HBNTYKKESA-N -1 0 306.384 -0.006 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)c1ccn(C)n1 ZINC000345641464 523638304 /nfs/dbraw/zinc/63/83/04/523638304.db2.gz KUWREWPQBFBWGS-JTQLQIEISA-N -1 0 313.339 -0.654 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)c1cnn(C)c1)c1ccn(C)n1 ZINC000345633743 523639048 /nfs/dbraw/zinc/63/90/48/523639048.db2.gz SWSOYIRVAKAQDO-JTQLQIEISA-N -1 0 313.339 -0.654 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CNC(=O)COc1ccccc1 ZINC000262682382 523659870 /nfs/dbraw/zinc/65/98/70/523659870.db2.gz BJNHTVFKHMNBGI-UHFFFAOYSA-N -1 0 324.333 -0.259 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000261956186 523743547 /nfs/dbraw/zinc/74/35/47/523743547.db2.gz NXMDJHXIOWYQSG-GFCCVEGCSA-N -1 0 305.290 -0.178 20 0 DBADRM CO[C@H](CNC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)[O-] ZINC000263152440 523938352 /nfs/dbraw/zinc/93/83/52/523938352.db2.gz XFZOAVDFTIDNHK-LLVKDONJSA-N -1 0 312.297 -0.300 20 0 DBADRM CN(C)C(=O)NCCNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000160772828 524006390 /nfs/dbraw/zinc/00/63/90/524006390.db2.gz ZJJMZCZBBDQUFC-UHFFFAOYSA-N -1 0 321.380 -0.004 20 0 DBADRM CNC(=O)CCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000266909793 524067968 /nfs/dbraw/zinc/06/79/68/524067968.db2.gz COUSKZQQGWAZAY-UHFFFAOYSA-N -1 0 320.374 -0.063 20 0 DBADRM CNC(=O)CCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000266785492 524068602 /nfs/dbraw/zinc/06/86/02/524068602.db2.gz ANVCUXPXEDDQBZ-UHFFFAOYSA-N -1 0 305.294 -0.390 20 0 DBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)c2c[nH]c(C)n2)cc1C ZINC000348908730 524076585 /nfs/dbraw/zinc/07/65/85/524076585.db2.gz ORUFAKREZCPEMR-UHFFFAOYSA-N -1 0 312.355 -0.230 20 0 DBADRM C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000331134684 524154673 /nfs/dbraw/zinc/15/46/73/524154673.db2.gz PRALPOPOCNXMOW-QMMMGPOBSA-N -1 0 310.354 -0.139 20 0 DBADRM COc1cccc([C@H](O)CNC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000267961098 524166181 /nfs/dbraw/zinc/16/61/81/524166181.db2.gz LAIDUVLHJLTKCE-GFCCVEGCSA-N -1 0 319.317 -0.042 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)CN1CCOCC1 ZINC000267590073 524473033 /nfs/dbraw/zinc/47/30/33/524473033.db2.gz MSFMJCROSUZABZ-SNVBAGLBSA-N -1 0 310.354 -0.816 20 0 DBADRM C[C@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@H]1C(=O)[O-] ZINC000337030647 524491655 /nfs/dbraw/zinc/49/16/55/524491655.db2.gz FTZNRIBMXJFXSF-VHSXEESVSA-N -1 0 304.306 -0.325 20 0 DBADRM C[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)C(N)=O ZINC000263419113 524904209 /nfs/dbraw/zinc/90/42/09/524904209.db2.gz KRSBKEATMKXXDM-GZMMTYOYSA-N -1 0 304.306 -0.304 20 0 DBADRM C[C@@H](NC(=O)CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)C(=O)N(C)C ZINC000344132586 525103959 /nfs/dbraw/zinc/10/39/59/525103959.db2.gz YWHATRVTBUAXDT-ZJUUUORDSA-N -1 0 324.385 -0.717 20 0 DBADRM CS(=O)(=O)NCCNC(=O)c1ccc(C(=O)[O-])cc1F ZINC000262320807 525196160 /nfs/dbraw/zinc/19/61/60/525196160.db2.gz COHZJIMFDDZQOM-UHFFFAOYSA-N -1 0 304.299 -0.197 20 0 DBADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)C(=O)N1CCOCC1 ZINC000336860783 525208660 /nfs/dbraw/zinc/20/86/60/525208660.db2.gz VATMYELHXFNNED-VIFPVBQESA-N -1 0 307.306 -0.243 20 0 DBADRM Cn1nccc1/C=C/C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000492106172 534842742 /nfs/dbraw/zinc/84/27/42/534842742.db2.gz YCYUOEQXUIRARK-NSCUHMNNSA-N -1 0 300.340 -0.874 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)C(=O)[O-] ZINC000262425905 525505198 /nfs/dbraw/zinc/50/51/98/525505198.db2.gz NTGKWACBORGZPL-ZETCQYMHSA-N -1 0 303.340 -0.522 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000346252682 525516907 /nfs/dbraw/zinc/51/69/07/525516907.db2.gz LSFVZGKSCDOSPA-ZETCQYMHSA-N -1 0 302.360 -0.977 20 0 DBADRM Cc1ccn2c(=O)cc(CS(=O)(=O)c3n[nH]c(=O)[n-]3)nc2c1 ZINC000350147732 525607020 /nfs/dbraw/zinc/60/70/20/525607020.db2.gz QGPALTZAUKXXQE-UHFFFAOYSA-N -1 0 321.318 -0.199 20 0 DBADRM C[C@@](O)(CNC(=O)CCNC(=O)Cc1ccccc1)C(=O)[O-] ZINC000262439804 525768945 /nfs/dbraw/zinc/76/89/45/525768945.db2.gz CPRKLYNYNHXQPB-OAHLLOKOSA-N -1 0 308.334 -0.313 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1cccc2nsnc21)C(=O)[O-] ZINC000090276836 525777432 /nfs/dbraw/zinc/77/74/32/525777432.db2.gz USPGQDZWBDHBJT-SNVBAGLBSA-N -1 0 317.348 -0.195 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC000331046715 525789053 /nfs/dbraw/zinc/78/90/53/525789053.db2.gz GQIBPCLWFDDNAV-DTWKUNHWSA-N -1 0 315.399 -0.484 20 0 DBADRM Cc1cc(C(=O)N(C)CC(=O)N(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000343642675 526218659 /nfs/dbraw/zinc/21/86/59/526218659.db2.gz MOCSYWFJFJUSEK-UHFFFAOYSA-N -1 0 319.321 -0.095 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N1CCC[C@H]1C(=O)[O-])n1cccn1 ZINC000262108736 526241534 /nfs/dbraw/zinc/24/15/34/526241534.db2.gz KEFTWZGFIQZOBC-QWRGUYRKSA-N -1 0 308.338 -0.022 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262235344 526281022 /nfs/dbraw/zinc/28/10/22/526281022.db2.gz VTXDOPNZBBBABJ-QJPTWQEYSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC2CC(F)(F)C2)CCS1(=O)=O ZINC000332419583 526284735 /nfs/dbraw/zinc/28/47/35/526284735.db2.gz BGMRYSYCLFVRJX-ZETCQYMHSA-N -1 0 312.294 -0.323 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CNC(=O)Cc2ccccc2)CCO1 ZINC000262923237 526285005 /nfs/dbraw/zinc/28/50/05/526285005.db2.gz FFVSISBYOUCMRE-LBPRGKRZSA-N -1 0 306.318 -0.343 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000262615075 526288824 /nfs/dbraw/zinc/28/88/24/526288824.db2.gz LSORRBZXRFKWDJ-NWDGAFQWSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)Cn2ncc(=O)c3ccccc32)CCOC1 ZINC000345882497 526296299 /nfs/dbraw/zinc/29/62/99/526296299.db2.gz JBTALNHQMAKMSR-OAHLLOKOSA-N -1 0 317.301 -0.244 20 0 DBADRM O=C([O-])[C@@]12CCC[C@H]1CN(S(=O)(=O)N1CCOCC1)C2 ZINC000263119205 526299975 /nfs/dbraw/zinc/29/99/75/526299975.db2.gz CTFFQDPNMXZJKO-CMPLNLGQSA-N -1 0 304.368 -0.250 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)C1 ZINC000331457087 526321650 /nfs/dbraw/zinc/32/16/50/526321650.db2.gz GJWLIKORMPVPLV-BONVTDFDSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000040503809 526334538 /nfs/dbraw/zinc/33/45/38/526334538.db2.gz YDPRMDADHYLLSS-VXNVDRBHSA-N -1 0 311.319 -0.229 20 0 DBADRM O=C([O-])[C@]1(NC(=O)Cn2nnc3ccccc3c2=O)CCOC1 ZINC000345929620 526338383 /nfs/dbraw/zinc/33/83/83/526338383.db2.gz AYBXLTCEPPRXEE-AWEZNQCLSA-N -1 0 318.289 -0.849 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)NC1(c2nnn[n-]2)CCCC1 ZINC000346319095 526477172 /nfs/dbraw/zinc/47/71/72/526477172.db2.gz DLTDBBXSZMSAQD-UHFFFAOYSA-N -1 0 306.326 -0.376 20 0 DBADRM Cc1nc(=NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)s[n-]1 ZINC000333009474 526628706 /nfs/dbraw/zinc/62/87/06/526628706.db2.gz FNOUBFUPTKGIGW-MRVPVSSYSA-N -1 0 304.397 -0.674 20 0 DBADRM Cc1nc(=NC(=O)c2ccnc3c(C(N)=O)cnn32)s[n-]1 ZINC000344151669 526629509 /nfs/dbraw/zinc/62/95/09/526629509.db2.gz VJJSLFINQMPWDX-UHFFFAOYSA-N -1 0 303.307 -0.338 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])CCO1 ZINC000266560238 526980148 /nfs/dbraw/zinc/98/01/48/526980148.db2.gz NHLAZSNBKBWEAO-LBPRGKRZSA-N -1 0 316.317 -0.096 20 0 DBADRM O=C(CS(=O)(=O)c1n[nH]c(=O)[n-]1)NCc1ccc(F)cc1 ZINC000350146250 527008284 /nfs/dbraw/zinc/00/82/84/527008284.db2.gz KMAXYQLSCHSQNP-UHFFFAOYSA-N -1 0 314.298 -0.261 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)NCCCC(=O)[O-])nc2n(C)c1=O ZINC000262786359 527027688 /nfs/dbraw/zinc/02/76/88/527027688.db2.gz ZZIHNUPYLVECIO-UHFFFAOYSA-N -1 0 320.305 -0.773 20 0 DBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H](C(=O)[O-])C1CC1 ZINC000054502987 527031472 /nfs/dbraw/zinc/03/14/72/527031472.db2.gz GRXMYLSIGOKOMF-WPRPVWTQSA-N -1 0 307.393 -0.114 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1=O ZINC000261830509 527033220 /nfs/dbraw/zinc/03/32/20/527033220.db2.gz HZEUAZKPWIQJTK-CWSCBRNRSA-N -1 0 321.333 -0.741 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2ccccc2CC(=O)[O-])c1=O ZINC000336863995 527035628 /nfs/dbraw/zinc/03/56/28/527035628.db2.gz KTMSSOZJNGXPTN-UHFFFAOYSA-N -1 0 317.301 -0.187 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@H]1CN(C2CC2)CCO1 ZINC000343354775 527049145 /nfs/dbraw/zinc/04/91/45/527049145.db2.gz NXJJVZVEHMNYQS-VIFPVBQESA-N -1 0 313.383 -0.418 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000345196233 527307134 /nfs/dbraw/zinc/30/71/34/527307134.db2.gz VPHUNOFSBAZZEL-UHFFFAOYSA-N -1 0 308.323 -0.734 20 0 DBADRM O=C(Cn1nnc(-c2ccccc2)n1)N[C@@]1(C(=O)[O-])CCOC1 ZINC000262083291 527429792 /nfs/dbraw/zinc/42/97/92/527429792.db2.gz DVQXDSUIINSHMZ-AWEZNQCLSA-N -1 0 317.305 -0.300 20 0 DBADRM O=C([O-])CCC(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000262167225 527571351 /nfs/dbraw/zinc/57/13/51/527571351.db2.gz QCSHVVXHOACHGF-UHFFFAOYSA-N -1 0 300.336 -0.054 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O ZINC000364844062 527611427 /nfs/dbraw/zinc/61/14/27/527611427.db2.gz FNODUXBHUUPYPK-UHFFFAOYSA-N -1 0 315.285 -0.176 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)CC1CCOCC1 ZINC000364401284 527631397 /nfs/dbraw/zinc/63/13/97/527631397.db2.gz SRWUNARNNXJPJN-LLVKDONJSA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)CCN2CCCS2(=O)=O)n1 ZINC000262943410 527642029 /nfs/dbraw/zinc/64/20/29/527642029.db2.gz HZOMJDPKPVSTTB-UHFFFAOYSA-N -1 0 316.339 -0.668 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCCS1(=O)=O)c1ccccc1 ZINC000262074994 527650568 /nfs/dbraw/zinc/65/05/68/527650568.db2.gz DJUCSHPHNXJWPP-LBPRGKRZSA-N -1 0 312.347 -0.036 20 0 DBADRM CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000456407595 527852942 /nfs/dbraw/zinc/85/29/42/527852942.db2.gz QMWCYWRMFISHAH-SCZZXKLOSA-N -1 0 309.322 -0.053 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)CC1=O ZINC000408502910 534961978 /nfs/dbraw/zinc/96/19/78/534961978.db2.gz RNUHRAWQWBIRPE-QWRGUYRKSA-N -1 0 318.395 -0.130 20 0 DBADRM CCCN(CC(=O)N(C)C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000274926536 535275607 /nfs/dbraw/zinc/27/56/07/535275607.db2.gz CELLSGHAWCRFQI-UHFFFAOYSA-N -1 0 301.372 -0.483 20 0 DBADRM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000275007334 535595862 /nfs/dbraw/zinc/59/58/62/535595862.db2.gz WCIKZIGSOWEADT-RQJHMYQMSA-N -1 0 301.372 -0.391 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC)C(N)=O ZINC000357704065 535806851 /nfs/dbraw/zinc/80/68/51/535806851.db2.gz SZYUUQDAUMWRJK-MRVPVSSYSA-N -1 0 316.335 -0.064 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-] ZINC000274881251 535929258 /nfs/dbraw/zinc/92/92/58/535929258.db2.gz CTVYGCHYTHCDEX-SCZZXKLOSA-N -1 0 303.340 -0.014 20 0 DBADRM CN(C(=O)c1ccccc1[N-]S(C)(=O)=O)[C@@H]1COC[C@H]1O ZINC000288279559 536068937 /nfs/dbraw/zinc/06/89/37/536068937.db2.gz HFHKXNIWAMFSBW-VXGBXAGGSA-N -1 0 314.363 -0.110 20 0 DBADRM CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000340638924 536402115 /nfs/dbraw/zinc/40/21/15/536402115.db2.gz PBXFAIYQBMFJCG-SSDOTTSWSA-N -1 0 317.371 -0.704 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-] ZINC000170306879 568585254 /nfs/dbraw/zinc/58/52/54/568585254.db2.gz YSBOWMXXTMVLPW-NSHDSACASA-N -1 0 305.356 -0.222 20 0 DBADRM O=C([O-])Nc1ccc(C(=O)N2CCN(C(=O)CO)CC2)c(O)c1 ZINC000834258790 605972045 /nfs/dbraw/zinc/97/20/45/605972045.db2.gz RPRUTGLILCDBSM-UHFFFAOYSA-N -1 0 323.305 -0.241 20 0 DBADRM Cn1cc(S(=O)(=O)N(CC(=O)[O-])C2CC2)cc1C(N)=O ZINC000037592543 601402297 /nfs/dbraw/zinc/40/22/97/601402297.db2.gz POLHCJQFUFENTQ-UHFFFAOYSA-N -1 0 301.324 -0.638 20 0 DBADRM C[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)[C@@H]1CCOC1 ZINC000820450053 599042939 /nfs/dbraw/zinc/04/29/39/599042939.db2.gz GMZUOAZPNKILKL-HTQZYQBOSA-N -1 0 321.341 -0.899 20 0 DBADRM NS(=O)(=O)c1ccc(OCCC(=O)OCC(=O)[O-])cc1 ZINC000739196996 599752015 /nfs/dbraw/zinc/75/20/15/599752015.db2.gz BVZFMZMQZAMJFL-UHFFFAOYSA-N -1 0 303.292 -0.269 20 0 DBADRM FC(F)(F)Cc1noc(Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC000737626008 599162392 /nfs/dbraw/zinc/16/23/92/599162392.db2.gz FUZDKRKZVTYUPG-UHFFFAOYSA-N -1 0 301.192 -0.006 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000740342582 603187077 /nfs/dbraw/zinc/18/70/77/603187077.db2.gz PRWYYQSGDWYQSK-JGVFFNPUSA-N -1 0 323.396 -0.681 20 0 DBADRM COC(=O)CCCS(=O)(=O)N(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000828670993 603475335 /nfs/dbraw/zinc/47/53/35/603475335.db2.gz PABPKTXSGMJZDY-VIFPVBQESA-N -1 0 308.356 -0.047 20 0 DBADRM CN(CC(=O)[O-])C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000737974088 596899231 /nfs/dbraw/zinc/89/92/31/596899231.db2.gz RBVWGZMMGHHMSW-NSHDSACASA-N -1 0 322.296 -0.211 20 0 DBADRM CN(CC(=O)[O-])CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000739631077 596906545 /nfs/dbraw/zinc/90/65/45/596906545.db2.gz FOMNZQBNNBSRAE-UHFFFAOYSA-N -1 0 305.290 -0.133 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818485981 596929936 /nfs/dbraw/zinc/92/99/36/596929936.db2.gz IWSCVRAEMNLOSD-MRVPVSSYSA-N -1 0 307.306 -0.497 20 0 DBADRM NC(=O)C[C@H](NC(=O)CSCC(=O)[O-])C1CCOCC1 ZINC000819116970 596932500 /nfs/dbraw/zinc/93/25/00/596932500.db2.gz NBCSFXNIQJWTOH-VIFPVBQESA-N -1 0 304.368 -0.409 20 0 DBADRM Cn1cc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000740287985 596936831 /nfs/dbraw/zinc/93/68/31/596936831.db2.gz SFGRWFCTAIKVCA-ONEGZZNKSA-N -1 0 321.333 -0.580 20 0 DBADRM Cn1nnc2cc(C(=O)OCC(=O)NCCC(=O)[O-])ccc21 ZINC000739062697 599862025 /nfs/dbraw/zinc/86/20/25/599862025.db2.gz YSHWCLJOGNHWOQ-UHFFFAOYSA-N -1 0 306.278 -0.284 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)o1 ZINC000818648172 596938716 /nfs/dbraw/zinc/93/87/16/596938716.db2.gz GFCAHLWUOJIGBB-MRVPVSSYSA-N -1 0 316.335 -0.125 20 0 DBADRM CNC(=O)CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000739739759 596951767 /nfs/dbraw/zinc/95/17/67/596951767.db2.gz NKQXOMNTCPLIHO-NSHDSACASA-N -1 0 304.306 -0.432 20 0 DBADRM CCNC(=O)CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000739462453 596951869 /nfs/dbraw/zinc/95/18/69/596951869.db2.gz OBNALXAIPQHXCL-LBPRGKRZSA-N -1 0 318.333 -0.042 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000739742642 596955610 /nfs/dbraw/zinc/95/56/10/596955610.db2.gz KNBGOJNBJMUPAY-CABZTGNLSA-N -1 0 318.333 -0.043 20 0 DBADRM C[C@]1(C2CCN(C(=O)NCCC(=O)[O-])CC2)NC(=O)NC1=O ZINC000818080590 596957303 /nfs/dbraw/zinc/95/73/03/596957303.db2.gz SPSOVYFWONTOLL-CYBMUJFWSA-N -1 0 312.326 -0.519 20 0 DBADRM CC(=O)NCCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000738555860 596958757 /nfs/dbraw/zinc/95/87/57/596958757.db2.gz MRHJEAMDMRPKNY-ZDUSSCGKSA-N -1 0 318.333 -0.042 20 0 DBADRM Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)[O-] ZINC000740279579 596982809 /nfs/dbraw/zinc/98/28/09/596982809.db2.gz YELKQIBQWYAXPX-ZETCQYMHSA-N -1 0 305.381 -0.031 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000400185855 596989181 /nfs/dbraw/zinc/98/91/81/596989181.db2.gz JJGJLNWDDSZETF-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM CN(CCC(=O)[O-])C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000818428979 596995514 /nfs/dbraw/zinc/99/55/14/596995514.db2.gz CDVFYRCBGRLWFS-JTQLQIEISA-N -1 0 309.326 -0.359 20 0 DBADRM C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)CCC(=O)[O-] ZINC000817727807 596999631 /nfs/dbraw/zinc/99/96/31/596999631.db2.gz KGVQQMCKFRZXND-VHSXEESVSA-N -1 0 306.384 -0.573 20 0 DBADRM C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)CCC(=O)[O-] ZINC000817727802 596999765 /nfs/dbraw/zinc/99/97/65/596999765.db2.gz KGVQQMCKFRZXND-NXEZZACHSA-N -1 0 306.384 -0.573 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)N(C)CCC(=O)[O-])CC2 ZINC000818552500 597005599 /nfs/dbraw/zinc/00/55/99/597005599.db2.gz QCPWTXCRFCLQKR-SECBINFHSA-N -1 0 311.342 -0.145 20 0 DBADRM CN(C)CCN(CC(=O)[O-])C(=O)C1CCS(=O)(=O)CC1 ZINC000739606075 597008522 /nfs/dbraw/zinc/00/85/22/597008522.db2.gz AHMQRKMTZHJDRK-UHFFFAOYSA-N -1 0 306.384 -0.714 20 0 DBADRM COc1cc(C(=O)NCC(=O)[O-])cc(OC)c1OCC(N)=O ZINC000739852930 597023892 /nfs/dbraw/zinc/02/38/92/597023892.db2.gz QMFNXQIENRIHDX-UHFFFAOYSA-N -1 0 312.278 -0.618 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000740484798 597024532 /nfs/dbraw/zinc/02/45/32/597024532.db2.gz FUEUCBUHHDXBKE-UHFFFAOYSA-N -1 0 302.308 -0.122 20 0 DBADRM CS(=O)(=O)c1cc(S(=O)(=O)NCC(=O)[O-])ccc1F ZINC000738141403 597027906 /nfs/dbraw/zinc/02/79/06/597027906.db2.gz XGJZENHONTYJCF-UHFFFAOYSA-N -1 0 311.312 -0.408 20 0 DBADRM CC(C)[C@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)C(=O)[O-] ZINC000817969824 597028997 /nfs/dbraw/zinc/02/89/97/597028997.db2.gz UAXADIYSWGSFOB-VIFPVBQESA-N -1 0 312.330 -0.403 20 0 DBADRM O=C([O-])C1(NC(=O)Cn2ncn3nccc3c2=O)CCCC1 ZINC000740390591 597031274 /nfs/dbraw/zinc/03/12/74/597031274.db2.gz MERAHMAKQDWCMS-UHFFFAOYSA-N -1 0 305.294 -0.595 20 0 DBADRM NC(=O)NCCNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000740331696 597040984 /nfs/dbraw/zinc/04/09/84/597040984.db2.gz CTGBTGXBHOLNRA-LLVKDONJSA-N -1 0 319.321 -0.510 20 0 DBADRM CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000739795949 597043821 /nfs/dbraw/zinc/04/38/21/597043821.db2.gz MFOHPFKSHZUUOM-MRVPVSSYSA-N -1 0 323.305 -0.201 20 0 DBADRM CN1C(=O)CCc2cc(NC(=O)C(=O)NCC(=O)[O-])ccc21 ZINC000739731454 597044840 /nfs/dbraw/zinc/04/48/40/597044840.db2.gz ZXJZGWCPAVUQAC-UHFFFAOYSA-N -1 0 305.290 -0.265 20 0 DBADRM NC(=O)CCOc1ccccc1NC(=O)C(=O)NCC(=O)[O-] ZINC000740328920 597045075 /nfs/dbraw/zinc/04/50/75/597045075.db2.gz OJPPWBADTKUBKN-UHFFFAOYSA-N -1 0 309.278 -0.920 20 0 DBADRM CN(C)C(=O)COc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000739596414 597046094 /nfs/dbraw/zinc/04/60/94/597046094.db2.gz JIXFYQHVCXDPEZ-UHFFFAOYSA-N -1 0 323.305 -0.707 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1-n1cnnn1 ZINC000740134964 597046637 /nfs/dbraw/zinc/04/66/37/597046637.db2.gz LIKUXGJFGGWEGA-UHFFFAOYSA-N -1 0 304.266 -0.890 20 0 DBADRM CC(C)NC(=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000738858896 597046995 /nfs/dbraw/zinc/04/69/95/597046995.db2.gz DYKZQFUJGFVDEA-UHFFFAOYSA-N -1 0 307.306 -0.036 20 0 DBADRM CC(=O)N1CCc2cc(NC(=O)C(=O)NCC(=O)[O-])ccc21 ZINC000738527453 597047153 /nfs/dbraw/zinc/04/71/53/597047153.db2.gz VPWSWCWSYCOITD-UHFFFAOYSA-N -1 0 305.290 -0.265 20 0 DBADRM CCOC(=O)CN1CCCN(C(=O)CSCC(=O)[O-])CC1 ZINC000739472291 597099572 /nfs/dbraw/zinc/09/95/72/597099572.db2.gz XINOGKPHDMDORS-UHFFFAOYSA-N -1 0 318.395 -0.098 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000739751951 597101790 /nfs/dbraw/zinc/10/17/90/597101790.db2.gz YCWUXDCEVCFAJY-UHFFFAOYSA-N -1 0 310.397 -0.656 20 0 DBADRM Cn1cc(CN2CCN(C(=O)CSCC(=O)[O-])CC2)cn1 ZINC000740288732 597101593 /nfs/dbraw/zinc/10/15/93/597101593.db2.gz FCYCSBUWYOUHBM-UHFFFAOYSA-N -1 0 312.395 -0.118 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)CSCC(=O)[O-])CC1 ZINC000739729185 597102209 /nfs/dbraw/zinc/10/22/09/597102209.db2.gz BBMSJWJETFFVFN-UHFFFAOYSA-N -1 0 303.384 -0.916 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)CSCC(=O)[O-] ZINC000739731311 597103912 /nfs/dbraw/zinc/10/39/12/597103912.db2.gz OCTKGSZJOMUOSA-UHFFFAOYSA-N -1 0 303.384 -0.963 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)nn1 ZINC000818369134 597104726 /nfs/dbraw/zinc/10/47/26/597104726.db2.gz ZQMIBYFQRYHIQV-JTQLQIEISA-N -1 0 323.353 -0.307 20 0 DBADRM O=C([O-])CCNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000262180781 597114642 /nfs/dbraw/zinc/11/46/42/597114642.db2.gz FNKRFTYGMLLCCT-UHFFFAOYSA-N -1 0 305.290 -0.057 20 0 DBADRM C[C@H]1CN(C(=O)CSCC(=O)[O-])C[C@H]1N1CCOCC1 ZINC000739140891 597127793 /nfs/dbraw/zinc/12/77/93/597127793.db2.gz WFDKIMHUHYOKQN-WDEREUQCSA-N -1 0 302.396 -0.017 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000050351044 597145251 /nfs/dbraw/zinc/14/52/51/597145251.db2.gz LDPIIALDRYNVGR-SECBINFHSA-N -1 0 313.397 -0.408 20 0 DBADRM CN(CCc1ccccn1)C(=O)CNC(=O)NCCC(=O)[O-] ZINC000818473560 597219127 /nfs/dbraw/zinc/21/91/27/597219127.db2.gz UNGGDPICTZUTRU-UHFFFAOYSA-N -1 0 308.338 -0.144 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1)C(=O)[O-] ZINC000818269809 597221758 /nfs/dbraw/zinc/22/17/58/597221758.db2.gz RSFGPWZCTTZAKL-SECBINFHSA-N -1 0 322.321 -0.299 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)NCCC(=O)[O-])CC1 ZINC000818368871 597221698 /nfs/dbraw/zinc/22/16/98/597221698.db2.gz LRZCATNBPSWAMM-UHFFFAOYSA-N -1 0 300.359 -0.687 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)NCCC(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000818090079 597227842 /nfs/dbraw/zinc/22/78/42/597227842.db2.gz NZAWUOBIXGOTSG-WCBMZHEXSA-N -1 0 309.326 -0.312 20 0 DBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCCC(=O)[O-] ZINC000818149053 597254354 /nfs/dbraw/zinc/25/43/54/597254354.db2.gz BLJUGMNFQIETOV-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM O=C([O-])CSCC(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000819539620 597266979 /nfs/dbraw/zinc/26/69/79/597266979.db2.gz BYOWBITZKQCSDE-JVXZTZIISA-N -1 0 315.351 -0.701 20 0 DBADRM NC(=O)c1cccnc1N1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000819124672 597292959 /nfs/dbraw/zinc/29/29/59/597292959.db2.gz CKSBOOQCFLBOEU-UHFFFAOYSA-N -1 0 321.337 -0.513 20 0 DBADRM CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NCCC(=O)[O-] ZINC000818645690 597297166 /nfs/dbraw/zinc/29/71/66/597297166.db2.gz PDCVMKHOHABDFJ-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM C[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)C(=O)[O-] ZINC000262698849 597307910 /nfs/dbraw/zinc/30/79/10/597307910.db2.gz JCQJPXBSKWINNR-BYPYZUCNSA-N -1 0 320.099 -0.699 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)NCCN1C(=O)CNC1=O ZINC000819617777 597330200 /nfs/dbraw/zinc/33/02/00/597330200.db2.gz CBGLMKVFQQRPDL-UHFFFAOYSA-N -1 0 320.305 -0.013 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000818213449 597333301 /nfs/dbraw/zinc/33/33/01/597333301.db2.gz HPRYBFQHJUBCQS-VIFPVBQESA-N -1 0 301.343 -0.356 20 0 DBADRM COC[C@H](O)CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000820710272 597340299 /nfs/dbraw/zinc/34/02/99/597340299.db2.gz KHYXDYZEBVBILE-DGCLKSJQSA-N -1 0 321.333 -0.171 20 0 DBADRM Cc1nnc(-c2cccc(NC(=O)C(=O)NCC(=O)[O-])c2)n1C ZINC000821216456 597342969 /nfs/dbraw/zinc/34/29/69/597342969.db2.gz BUCWHHLPCLYDIK-UHFFFAOYSA-N -1 0 317.305 -0.070 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000821524965 597343027 /nfs/dbraw/zinc/34/30/27/597343027.db2.gz GBCVZCZWDLOOIW-UHFFFAOYSA-N -1 0 308.216 -0.025 20 0 DBADRM CCCn1nccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000820330331 597343482 /nfs/dbraw/zinc/34/34/82/597343482.db2.gz TWDWBNUTTPCWAJ-SECBINFHSA-N -1 0 310.310 -0.456 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817706523 597345883 /nfs/dbraw/zinc/34/58/83/597345883.db2.gz VYPWEEBDWZOUFZ-UHFFFAOYSA-N -1 0 321.333 -0.105 20 0 DBADRM CCc1c(C(=O)N2CCO[C@H](C(=O)[O-])C2)[nH]c(C)c1C(N)=O ZINC000820474086 597354224 /nfs/dbraw/zinc/35/42/24/597354224.db2.gz HOIXNTPFYGHYIH-VIFPVBQESA-N -1 0 309.322 -0.090 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)OCc2cn(CC(=O)[O-])nn2)C1 ZINC000820257060 597356048 /nfs/dbraw/zinc/35/60/48/597356048.db2.gz UBIJEYPAQZPLQS-SECBINFHSA-N -1 0 310.310 -0.336 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)OCc1cn(CC(=O)[O-])nn1 ZINC000820136022 597356060 /nfs/dbraw/zinc/35/60/60/597356060.db2.gz BCIFUXNNOWZKLZ-QMMMGPOBSA-N -1 0 322.277 -0.183 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CCC(C(=O)[O-])CC2)n1C ZINC000819035869 597359339 /nfs/dbraw/zinc/35/93/39/597359339.db2.gz DDOANLPFCAHKLX-UHFFFAOYSA-N -1 0 309.370 -0.121 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)OCc2cn(CC(=O)[O-])nn2)C1 ZINC000819731979 597361038 /nfs/dbraw/zinc/36/10/38/597361038.db2.gz QVRYDPBEGMBOHF-JTQLQIEISA-N -1 0 310.310 -0.336 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCO1 ZINC000738552083 597375344 /nfs/dbraw/zinc/37/53/44/597375344.db2.gz WVRKIWYNUIKVSA-SNVBAGLBSA-N -1 0 319.273 -0.858 20 0 DBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC000261667994 597375858 /nfs/dbraw/zinc/37/58/58/597375858.db2.gz JWSHKYKEBUMQCI-ZJUUUORDSA-N -1 0 315.351 -0.060 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000820890665 597385357 /nfs/dbraw/zinc/38/53/57/597385357.db2.gz LKDJDMWDXSAGHZ-NXEZZACHSA-N -1 0 319.383 -0.616 20 0 DBADRM CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN(C)[C@@H](C)C(=O)[O-])C1=O ZINC000820290832 597393910 /nfs/dbraw/zinc/39/39/10/597393910.db2.gz QVJDSWHUVUIBDC-XPTSAGLGSA-N -1 0 323.353 -0.060 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCc2nnc3n2CCCCC3)CCO1 ZINC000738548389 597414778 /nfs/dbraw/zinc/41/47/78/597414778.db2.gz IYXUFEICAYJTOL-SNVBAGLBSA-N -1 0 323.353 -0.001 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C ZINC000819889468 597427646 /nfs/dbraw/zinc/42/76/46/597427646.db2.gz PXBVMGHHFOYEGX-SFYZADRCSA-N -1 0 317.342 -0.313 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000818638761 597438683 /nfs/dbraw/zinc/43/86/83/597438683.db2.gz CLFZIEGVVQORJT-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])[C@@H]1CCCCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000821509427 597448893 /nfs/dbraw/zinc/44/88/93/597448893.db2.gz WXHSQOFEDLREIP-JTQLQIEISA-N -1 0 304.368 -0.818 20 0 DBADRM C[C@@H](NC(=O)Nc1cnn(CCN2CCOCC2)c1)C(=O)[O-] ZINC000818039653 597451879 /nfs/dbraw/zinc/45/18/79/597451879.db2.gz KKBBOKIWJYNITE-SNVBAGLBSA-N -1 0 311.342 -0.190 20 0 DBADRM CN(CC(=O)N1CCCC[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737976357 597457206 /nfs/dbraw/zinc/45/72/06/597457206.db2.gz YKMWFIOPYWWAQD-GHMZBOCLSA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)C(=O)[O-] ZINC000820107323 597460414 /nfs/dbraw/zinc/46/04/14/597460414.db2.gz HYWOXWMYZCMHRD-RXMQYKEDSA-N -1 0 319.277 -0.810 20 0 DBADRM O=C([O-])CNC(=O)Nc1ccccc1CN1C(=O)CNC1=O ZINC000819527610 597486213 /nfs/dbraw/zinc/48/62/13/597486213.db2.gz VGJFQZHQUMURTQ-UHFFFAOYSA-N -1 0 306.278 -0.056 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)C1 ZINC000819248789 597495955 /nfs/dbraw/zinc/49/59/55/597495955.db2.gz SACBLILRSCNETI-SSDOTTSWSA-N -1 0 306.282 -0.280 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000819696282 597499912 /nfs/dbraw/zinc/49/99/12/597499912.db2.gz JEZONOGPBJJLRR-ZYTOWTHASA-N -1 0 309.322 -0.312 20 0 DBADRM CN(CC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ncnc2nc[nH]c21 ZINC000261799055 597500786 /nfs/dbraw/zinc/50/07/86/597500786.db2.gz KWWRCZNTHIOXLU-MRVPVSSYSA-N -1 0 304.310 -0.278 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000062118350 597504872 /nfs/dbraw/zinc/50/48/72/597504872.db2.gz DOHUBMIUECZRKL-SSDOTTSWSA-N -1 0 301.324 -0.781 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cccn2)nc1)C(=O)[O-] ZINC000818018728 597516238 /nfs/dbraw/zinc/51/62/38/597516238.db2.gz RHKPQTQWQYLFJC-MRVPVSSYSA-N -1 0 303.278 -0.205 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000818018858 597516874 /nfs/dbraw/zinc/51/68/74/597516874.db2.gz URDFEWUUQRDJER-ZETCQYMHSA-N -1 0 305.290 -0.500 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000818018852 597517103 /nfs/dbraw/zinc/51/71/03/597517103.db2.gz UNBRYLGMVYWGSM-LURJTMIESA-N -1 0 319.273 -0.560 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2)C(=O)[O-] ZINC000818018036 597518962 /nfs/dbraw/zinc/51/89/62/597518962.db2.gz JSVMSAFBEXSWNT-ZCFIWIBFSA-N -1 0 307.262 -0.455 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C)C(=O)[O-] ZINC000818018928 597519621 /nfs/dbraw/zinc/51/96/21/597519621.db2.gz VHIYEQYGYGPVST-LURJTMIESA-N -1 0 307.262 -0.341 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC000818021973 597520283 /nfs/dbraw/zinc/52/02/83/597520283.db2.gz AKJHJBBXYVCPCT-SSDOTTSWSA-N -1 0 309.278 -0.922 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000818547263 597524723 /nfs/dbraw/zinc/52/47/23/597524723.db2.gz BNSHDIQNKFMDMA-SECBINFHSA-N -1 0 310.310 -0.599 20 0 DBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000261749782 597532524 /nfs/dbraw/zinc/53/25/24/597532524.db2.gz WCUGBWZSKYUUQT-SECBINFHSA-N -1 0 323.334 -0.243 20 0 DBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000062132717 597532559 /nfs/dbraw/zinc/53/25/59/597532559.db2.gz VCPAOWCVASJGNP-SSDOTTSWSA-N -1 0 311.319 -0.049 20 0 DBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000261731755 597532589 /nfs/dbraw/zinc/53/25/89/597532589.db2.gz SPSORYUAMRFIIX-VIFPVBQESA-N -1 0 323.334 -0.243 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000820354057 597676955 /nfs/dbraw/zinc/67/69/55/597676955.db2.gz LFXCPNNIYRJBQU-RKDXNWHRSA-N -1 0 316.358 -0.868 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000820354054 597677390 /nfs/dbraw/zinc/67/73/90/597677390.db2.gz LFXCPNNIYRJBQU-DTWKUNHWSA-N -1 0 316.358 -0.868 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H](O)c1cccnc1)[C@H](C)C(=O)[O-] ZINC000819744247 597686022 /nfs/dbraw/zinc/68/60/22/597686022.db2.gz BKJDEVLTUVERIH-SKDRFNHKSA-N -1 0 309.322 -0.447 20 0 DBADRM CCN1C[C@H](C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])CC1=O ZINC000262152869 597686086 /nfs/dbraw/zinc/68/60/86/597686086.db2.gz BCIANTMMBHIZCX-GXSJLCMTSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H](O)c1cccnc1)[C@H](C)C(=O)[O-] ZINC000819744244 597686167 /nfs/dbraw/zinc/68/61/67/597686167.db2.gz BKJDEVLTUVERIH-BXKDBHETSA-N -1 0 309.322 -0.447 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCc2n[nH]cc2C1)[C@H](C)C(=O)[O-] ZINC000819744614 597688073 /nfs/dbraw/zinc/68/80/73/597688073.db2.gz WCDGAIFPPDMFOD-KOLCDFICSA-N -1 0 322.365 -0.048 20 0 DBADRM CCN1CCO[C@@H](C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])C1 ZINC000820354213 597688733 /nfs/dbraw/zinc/68/87/33/597688733.db2.gz MYONPOOQDITUJS-CMPLNLGQSA-N -1 0 315.370 -0.855 20 0 DBADRM CC(=O)NCCN(C(=O)c1c[nH]c(C(N)=O)c1)[C@H](C)C(=O)[O-] ZINC000819753184 597689605 /nfs/dbraw/zinc/68/96/05/597689605.db2.gz UQJBTCGIKDLXIE-SSDOTTSWSA-N -1 0 310.310 -0.835 20 0 DBADRM CC(=O)NCCN(C(=O)CS(=O)(=O)C(C)C)[C@@H](C)C(=O)[O-] ZINC000262254844 597689826 /nfs/dbraw/zinc/68/98/26/597689826.db2.gz RAONKDFILZFFMT-VIFPVBQESA-N -1 0 322.383 -0.753 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)NCCN2CCNC(=O)C2)cc1 ZINC000821556466 597697904 /nfs/dbraw/zinc/69/79/04/597697904.db2.gz GUUVBYYPLMOKGQ-UHFFFAOYSA-N -1 0 320.349 -0.384 20 0 DBADRM COC(=O)c1cc(C(=O)OCc2cn(CC(=O)[O-])nn2)on1 ZINC000820677969 597702261 /nfs/dbraw/zinc/70/22/61/597702261.db2.gz ZXITVIVEMVYKDI-UHFFFAOYSA-N -1 0 310.222 -0.506 20 0 DBADRM COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NCC(=O)[O-] ZINC000820685456 597702309 /nfs/dbraw/zinc/70/23/09/597702309.db2.gz VMJQYZNXDMHHCQ-UHFFFAOYSA-N -1 0 310.262 -0.379 20 0 DBADRM O=C([O-])CNC(=O)C[S@@](=O)Cc1cccc2c1OCCO2 ZINC000821535319 597737401 /nfs/dbraw/zinc/73/74/01/597737401.db2.gz WMWSWPUQTZFQFT-NRFANRHFSA-N -1 0 313.331 -0.093 20 0 DBADRM C[C@@H](CO)NC(=O)c1ccc(NCC(=O)NCC(=O)[O-])cc1 ZINC000820102215 597746479 /nfs/dbraw/zinc/74/64/79/597746479.db2.gz QISNQISGZIJOJW-VIFPVBQESA-N -1 0 309.322 -0.590 20 0 DBADRM CS(=O)(=O)Cc1cc(F)ccc1NCC(=O)NCC(=O)[O-] ZINC000820885531 597748115 /nfs/dbraw/zinc/74/81/15/597748115.db2.gz BUFGLIFJYIAMDD-UHFFFAOYSA-N -1 0 318.326 -0.017 20 0 DBADRM CCOc1ccc(-c2nnn(CC(=O)NCC(=O)[O-])n2)cc1 ZINC000820382977 597753420 /nfs/dbraw/zinc/75/34/20/597753420.db2.gz LFJZCZMDBRDSCU-UHFFFAOYSA-N -1 0 305.294 -0.060 20 0 DBADRM C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(CC(=O)NCC(=O)[O-])C2=O ZINC000820235584 597753491 /nfs/dbraw/zinc/75/34/91/597753491.db2.gz PDVGXQWWOQGHEI-QRJZZWFUSA-N -1 0 311.338 -0.066 20 0 DBADRM Cc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000821119762 597755757 /nfs/dbraw/zinc/75/57/57/597755757.db2.gz BTKLQKHYSZUSCL-HNNXBMFYSA-N -1 0 319.317 -0.037 20 0 DBADRM C[C@@]1(c2cccnc2)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000818706515 597756374 /nfs/dbraw/zinc/75/63/74/597756374.db2.gz YZLIBDJPUUVZBJ-ZDUSSCGKSA-N -1 0 306.278 -0.951 20 0 DBADRM Cn1cncc1[C@@H]1CC(=O)N(CN2CCO[C@H](C(=O)[O-])C2)C1 ZINC000821310841 597759416 /nfs/dbraw/zinc/75/94/16/597759416.db2.gz RZFQXMYOICMZOJ-PWSUYJOCSA-N -1 0 308.338 -0.521 20 0 DBADRM COC(=O)c1cccc(C(N)=NOCC(=O)NCC(=O)[O-])c1 ZINC000820689352 597761153 /nfs/dbraw/zinc/76/11/53/597761153.db2.gz FHCJOTWKORXNIS-UHFFFAOYSA-N -1 0 309.278 -0.479 20 0 DBADRM NC(=CC(=O)N1CCCCC1)NOCC(=O)NCC(=O)[O-] ZINC000821357099 597761831 /nfs/dbraw/zinc/76/18/31/597761831.db2.gz ILBHXJYVYRXJFM-UHFFFAOYSA-N -1 0 300.315 -0.912 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)NCC(=O)[O-])c2ccccc2O1 ZINC000820660935 597769569 /nfs/dbraw/zinc/76/95/69/597769569.db2.gz ONQWXONTENMLBW-LLVKDONJSA-N -1 0 308.290 -0.372 20 0 DBADRM O=C([O-])CCCCN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000821515952 597800707 /nfs/dbraw/zinc/80/07/07/597800707.db2.gz LZQYSBJRVMFDLB-NEPJUHHUSA-N -1 0 320.411 -0.983 20 0 DBADRM CN(C)C(=O)N1CCN(CC(=O)NCC(=O)[O-])C(C)(C)C1 ZINC000820530621 597810495 /nfs/dbraw/zinc/81/04/95/597810495.db2.gz XBQCXLBPGVSNRI-UHFFFAOYSA-N -1 0 300.359 -0.735 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1 ZINC000820894253 597822546 /nfs/dbraw/zinc/82/25/46/597822546.db2.gz KVZBVRNTLLBQMD-UHFFFAOYSA-N -1 0 315.303 -0.552 20 0 DBADRM Cn1c2ccccc2n(CC(=O)OCC(=O)NCC(=O)[O-])c1=O ZINC000821268766 597828396 /nfs/dbraw/zinc/82/83/96/597828396.db2.gz HAIJTZHFRHHKFN-UHFFFAOYSA-N -1 0 321.289 -0.916 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CNC(=O)c1ccc(F)cc1 ZINC000821533047 597829264 /nfs/dbraw/zinc/82/92/64/597829264.db2.gz YDTTZUOHVNDYFO-UHFFFAOYSA-N -1 0 312.253 -0.701 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CN1C(=O)COc2ccccc21 ZINC000821533079 597829278 /nfs/dbraw/zinc/82/92/78/597829278.db2.gz YYMZLYYDNPBBID-UHFFFAOYSA-N -1 0 322.273 -0.844 20 0 DBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)OCC(=O)NCC(=O)[O-] ZINC000821248168 597829992 /nfs/dbraw/zinc/82/99/92/597829992.db2.gz GYSJBTNZKMXZPG-UHFFFAOYSA-N -1 0 323.261 -0.807 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000819901455 597832781 /nfs/dbraw/zinc/83/27/81/597832781.db2.gz FIOLIEBQXBHKSI-SECBINFHSA-N -1 0 314.338 -0.233 20 0 DBADRM CN(CC(=O)OCC(=O)NCC(=O)[O-])C(=O)c1cccs1 ZINC000820574240 597832989 /nfs/dbraw/zinc/83/29/89/597832989.db2.gz JTTBJAWJNIIIEQ-UHFFFAOYSA-N -1 0 314.319 -0.436 20 0 DBADRM CCC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820256626 597835904 /nfs/dbraw/zinc/83/59/04/597835904.db2.gz FSLKZZUJCFWSQJ-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM CC(C)(C)n1cc(C(=O)C(=O)OCC(=O)NCC(=O)[O-])cn1 ZINC000819940519 597835979 /nfs/dbraw/zinc/83/59/79/597835979.db2.gz NGYWCMACKQDRHL-UHFFFAOYSA-N -1 0 311.294 -0.435 20 0 DBADRM CCC(=O)N1CCCC[C@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820256627 597836057 /nfs/dbraw/zinc/83/60/57/597836057.db2.gz FSLKZZUJCFWSQJ-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM Cn1cc(-c2nc(C(=O)OCC(=O)NCC(=O)[O-])cs2)cn1 ZINC000821277498 597836079 /nfs/dbraw/zinc/83/60/79/597836079.db2.gz JOPZZBMKKWCHLJ-UHFFFAOYSA-N -1 0 324.318 -0.099 20 0 DBADRM C[C@@H](NC(=O)C1CCCCC1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000820113750 597837290 /nfs/dbraw/zinc/83/72/90/597837290.db2.gz GBLLJXXWXPUDMR-SECBINFHSA-N -1 0 314.338 -0.185 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(=O)OCCCC(=O)[O-])cn1C ZINC000738363621 597838497 /nfs/dbraw/zinc/83/84/97/597838497.db2.gz NBQDEYRAHWRJMM-UHFFFAOYSA-N -1 0 319.339 -0.585 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cnc(-c2ncccn2)s1 ZINC000821532009 597839426 /nfs/dbraw/zinc/83/94/26/597839426.db2.gz GQWJVZOLMLVZPH-UHFFFAOYSA-N -1 0 322.302 -0.042 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000820719008 598038221 /nfs/dbraw/zinc/03/82/21/598038221.db2.gz KVEZPLZKOKKBQU-UHFFFAOYSA-N -1 0 321.293 -0.999 20 0 DBADRM CCCN(C(=O)[C@@H](C)N(C)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000820317091 598042188 /nfs/dbraw/zinc/04/21/88/598042188.db2.gz BLYGELZHGXPAII-GHMZBOCLSA-N -1 0 320.411 -0.183 20 0 DBADRM CN(CC(=O)[O-])C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000820562621 598084048 /nfs/dbraw/zinc/08/40/48/598084048.db2.gz NPRSPBADCNQZEA-UHFFFAOYSA-N -1 0 303.315 -0.830 20 0 DBADRM CC[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776445659 598087441 /nfs/dbraw/zinc/08/74/41/598087441.db2.gz ZNOXIKVLZOGURF-SECBINFHSA-N -1 0 308.356 -0.477 20 0 DBADRM COCCN(CC(=O)[O-])Cc1cnc(N2CCN(C)CC2)nc1 ZINC000820723474 598118351 /nfs/dbraw/zinc/11/83/51/598118351.db2.gz IFLJRYUSSNEMGP-UHFFFAOYSA-N -1 0 323.397 -0.239 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)NCCCCC(=O)[O-])CC1 ZINC000070201147 598167098 /nfs/dbraw/zinc/16/70/98/598167098.db2.gz WUSSTHRZJFGNMR-UHFFFAOYSA-N -1 0 307.372 -0.472 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)NCCCCC(=O)[O-])C2)C1=O ZINC000820614280 598170418 /nfs/dbraw/zinc/17/04/18/598170418.db2.gz DMCUEHHAVKOVTH-ZDUSSCGKSA-N -1 0 312.326 -0.423 20 0 DBADRM CN(CC(=O)NCCCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000820562416 598170757 /nfs/dbraw/zinc/17/07/57/598170757.db2.gz IFVWTTCROKYVPO-JTQLQIEISA-N -1 0 306.384 -0.524 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCCNC(=O)C1 ZINC000821556769 598174341 /nfs/dbraw/zinc/17/43/41/598174341.db2.gz IEZMAZNCEFHKCV-UHFFFAOYSA-N -1 0 305.290 -0.328 20 0 DBADRM COc1ncnc(N(C)C)c1NC(=O)C(=O)NCCC(=O)[O-] ZINC000820886243 598174774 /nfs/dbraw/zinc/17/47/74/598174774.db2.gz ZKYGFDQWPJJWDR-UHFFFAOYSA-N -1 0 311.298 -0.919 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820251971 598175478 /nfs/dbraw/zinc/17/54/78/598175478.db2.gz UKVIXFZVCQROGJ-UWVGGRQHSA-N -1 0 322.317 -0.069 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820251973 598175498 /nfs/dbraw/zinc/17/54/98/598175498.db2.gz UKVIXFZVCQROGJ-ZJUUUORDSA-N -1 0 322.317 -0.069 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CC[C@H](C(=O)[O-])C2)O1 ZINC000820524206 598180314 /nfs/dbraw/zinc/18/03/14/598180314.db2.gz JXOWZNSLFTUFIJ-DCAQKATOSA-N -1 0 313.354 -0.262 20 0 DBADRM CN(C)c1nccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC000820554346 598183514 /nfs/dbraw/zinc/18/35/14/598183514.db2.gz NPTWLLMINUBCQX-JTQLQIEISA-N -1 0 309.326 -0.462 20 0 DBADRM NS(=O)(=O)CCNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000040579017 598189829 /nfs/dbraw/zinc/18/98/29/598189829.db2.gz XSFZYYWVLOQQPY-UHFFFAOYSA-N -1 0 301.324 -0.528 20 0 DBADRM COCCNC(=O)CN1CCN(c2cc(C(=O)[O-])ccn2)CC1 ZINC000820729972 598218639 /nfs/dbraw/zinc/21/86/39/598218639.db2.gz GVOQMGZIDCYWTG-UHFFFAOYSA-N -1 0 322.365 -0.336 20 0 DBADRM CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O)C(=O)[O-] ZINC000819980110 598220602 /nfs/dbraw/zinc/22/06/02/598220602.db2.gz JTYFZOKTJLEIQE-IEBDPFPHSA-N -1 0 300.355 -0.123 20 0 DBADRM NC(=O)c1cn(C2CN(C(=O)c3cccc(C(=O)[O-])c3)C2)nn1 ZINC000821357066 598220786 /nfs/dbraw/zinc/22/07/86/598220786.db2.gz FWUWVWZQVYQQJZ-UHFFFAOYSA-N -1 0 315.289 -0.228 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cn3c(n2)CCCC3)CCO1 ZINC000821513345 598226437 /nfs/dbraw/zinc/22/64/37/598226437.db2.gz URTSCRXUOXLPPD-SECBINFHSA-N -1 0 315.351 -0.307 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC(=O)c1ccccc1 ZINC000737988537 598373299 /nfs/dbraw/zinc/37/32/99/598373299.db2.gz LVFUOGDHFHMOHY-UHFFFAOYSA-N -1 0 312.293 -0.543 20 0 DBADRM CCC[C@@H](CCO)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821021808 607360317 /nfs/dbraw/zinc/36/03/17/607360317.db2.gz PDZFLZBOKZMJOV-VIFPVBQESA-N -1 0 308.346 -0.627 20 0 DBADRM CCCCOCCNC(=O)Cn1cccc(-c2nnn[n-]2)c1=O ZINC000736462421 598675684 /nfs/dbraw/zinc/67/56/84/598675684.db2.gz BATVJUYVJWMVGH-UHFFFAOYSA-N -1 0 320.353 -0.039 20 0 DBADRM CCCCn1nnnc1Cn1cccc(-c2nnn[n-]2)c1=O ZINC000736469353 598675904 /nfs/dbraw/zinc/67/59/04/598675904.db2.gz NVSGQGCWEIVQST-UHFFFAOYSA-N -1 0 301.314 -0.137 20 0 DBADRM C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCc1nnn[n-]1 ZINC000095136328 598696600 /nfs/dbraw/zinc/69/66/00/598696600.db2.gz RUYLMNSIWKGQTG-SSDOTTSWSA-N -1 0 315.297 -0.537 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2C[C@@H]3CCC[C@@H]32)n(C)c1=O ZINC000737590495 599529285 /nfs/dbraw/zinc/52/92/85/599529285.db2.gz JHZAQBPCAGLIGV-YUMQZZPRSA-N -1 0 303.326 -0.747 20 0 DBADRM COC[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(C)C ZINC000821683998 599588073 /nfs/dbraw/zinc/58/80/73/599588073.db2.gz PSTRHMMNWNSSLD-MRVPVSSYSA-N -1 0 323.357 -0.653 20 0 DBADRM CC[C@@H]1C[C@@H](C)CN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820972138 599688880 /nfs/dbraw/zinc/68/88/80/599688880.db2.gz LKSMTXKKXHERPB-RKDXNWHRSA-N -1 0 319.369 -0.111 20 0 DBADRM O=C(COC(=O)[C@H]1C[C@@H]1C(=O)[O-])NC(=O)NCc1ccco1 ZINC000739321276 599703830 /nfs/dbraw/zinc/70/38/30/599703830.db2.gz OUHVVYTXHOIXTD-IUCAKERBSA-N -1 0 310.262 -0.131 20 0 DBADRM CN(CCCC(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000737416967 599727122 /nfs/dbraw/zinc/72/71/22/599727122.db2.gz DHTIHEPHUMGKDW-UHFFFAOYSA-N -1 0 307.372 -0.520 20 0 DBADRM CN(CCCC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000737421003 599729295 /nfs/dbraw/zinc/72/92/95/599729295.db2.gz CZROZWNVSYGANF-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM Cc1nc2cc(C(=O)[O-])ccc2c(=O)n1CCC(=O)NC(N)=O ZINC000738872165 599734556 /nfs/dbraw/zinc/73/45/56/599734556.db2.gz CMAVMMBMFYHFCA-UHFFFAOYSA-N -1 0 318.289 -0.012 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccn(CC(=O)[O-])n2)C1=O ZINC000736931942 599737229 /nfs/dbraw/zinc/73/72/29/599737229.db2.gz KTPPUYOXSYCSDQ-CYBMUJFWSA-N -1 0 323.309 -0.373 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000736211491 599742989 /nfs/dbraw/zinc/74/29/89/599742989.db2.gz MKHAXLQLPCVFFB-SNVBAGLBSA-N -1 0 312.370 -0.545 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000096596073 599743434 /nfs/dbraw/zinc/74/34/34/599743434.db2.gz WXXGKBREIGKHFV-VXGBXAGGSA-N -1 0 306.318 -0.403 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000739370639 599744256 /nfs/dbraw/zinc/74/42/56/599744256.db2.gz INURHGMAXOUVPJ-NSHDSACASA-N -1 0 305.290 -0.269 20 0 DBADRM CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000737128804 599744424 /nfs/dbraw/zinc/74/44/24/599744424.db2.gz ASJCIVASJQFFPH-JTQLQIEISA-N -1 0 316.335 -0.840 20 0 DBADRM CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000737128805 599744600 /nfs/dbraw/zinc/74/46/00/599744600.db2.gz ASJCIVASJQFFPH-SNVBAGLBSA-N -1 0 316.335 -0.840 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(-n2cccn2)nc1 ZINC000737608801 599751130 /nfs/dbraw/zinc/75/11/30/599751130.db2.gz NFZBDEHQSIOXOA-UHFFFAOYSA-N -1 0 318.289 -0.033 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC000738445255 599752757 /nfs/dbraw/zinc/75/27/57/599752757.db2.gz QWVACIVMHYZCIM-ZCFIWIBFSA-N -1 0 320.348 -0.679 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CSc1nncs1 ZINC000737604137 599753382 /nfs/dbraw/zinc/75/33/82/599753382.db2.gz BGWGLQAXXUQBBJ-UHFFFAOYSA-N -1 0 305.337 -0.284 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cn1ncc2ccccc2c1=O ZINC000737618114 599755983 /nfs/dbraw/zinc/75/59/83/599755983.db2.gz MQBLKNQYEJUILQ-UHFFFAOYSA-N -1 0 305.290 -0.086 20 0 DBADRM O=C([O-])c1nc2n(n1)CCCN2C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000740278323 599768064 /nfs/dbraw/zinc/76/80/64/599768064.db2.gz SLAKESSFGRCSPE-MRVPVSSYSA-N -1 0 319.321 -0.276 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc2nncn2c1 ZINC000739634439 599770031 /nfs/dbraw/zinc/77/00/31/599770031.db2.gz NLYRQNZXOXDJSJ-VIFPVBQESA-N -1 0 303.278 -0.855 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCCn2cncn2)o1 ZINC000381684523 599771137 /nfs/dbraw/zinc/77/11/37/599771137.db2.gz KMYYZOQZAQEVHJ-UHFFFAOYSA-N -1 0 300.296 -0.062 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000038058925 599774639 /nfs/dbraw/zinc/77/46/39/599774639.db2.gz SYVVGDSPFNZERL-UHFFFAOYSA-N -1 0 313.378 -0.231 20 0 DBADRM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737764060 599779635 /nfs/dbraw/zinc/77/96/35/599779635.db2.gz CPPZDVRCMIMTDG-SSDOTTSWSA-N -1 0 320.323 -0.511 20 0 DBADRM C[C@H](NC(=O)CN[C@@H](C(=O)[O-])c1ccccc1)C(=O)N(C)C ZINC000736638567 599781664 /nfs/dbraw/zinc/78/16/64/599781664.db2.gz IGTYITVJMQQCDW-GXFFZTMASA-N -1 0 307.350 -0.005 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)CNC(=O)c2ccncc2)n1 ZINC000739913089 599783680 /nfs/dbraw/zinc/78/36/80/599783680.db2.gz JHXSDLRGESKZNQ-UHFFFAOYSA-N -1 0 303.278 -0.269 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(N2CCCC2)nn1 ZINC000739812962 599784685 /nfs/dbraw/zinc/78/46/85/599784685.db2.gz HKGMZQDTKWEYOM-UHFFFAOYSA-N -1 0 308.294 -0.566 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000138444837 599806409 /nfs/dbraw/zinc/80/64/09/599806409.db2.gz KXMRMOVLSKWCTB-NEPJUHHUSA-N -1 0 322.317 -0.041 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN(C)CCS(C)(=O)=O)C(=O)[O-] ZINC000736414178 599810028 /nfs/dbraw/zinc/81/00/28/599810028.db2.gz WVVKBOFLYGGNTL-SNVBAGLBSA-N -1 0 308.400 -0.422 20 0 DBADRM CCOC(=O)C1=C(Cn2cnc(C(=O)[O-])n2)NC(=O)N[C@@H]1C ZINC000737133372 599824521 /nfs/dbraw/zinc/82/45/21/599824521.db2.gz DCBLUHATSRWCEB-ZCFIWIBFSA-N -1 0 309.282 -0.505 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736821369 599833601 /nfs/dbraw/zinc/83/36/01/599833601.db2.gz LJWSUXSELYEEFV-WDEREUQCSA-N -1 0 301.343 -0.798 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000736366500 599843092 /nfs/dbraw/zinc/84/30/92/599843092.db2.gz XWYCTOZFFJXJTD-NXEZZACHSA-N -1 0 321.399 -0.181 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000737222550 599846871 /nfs/dbraw/zinc/84/68/71/599846871.db2.gz ASENEIWPECJLEB-SECBINFHSA-N -1 0 309.388 -0.276 20 0 DBADRM Cn1cc(N2C(=O)C[C@H](N3CCC(C(=O)[O-])CC3)C2=O)cn1 ZINC000738407130 599859220 /nfs/dbraw/zinc/85/92/20/599859220.db2.gz XDDSHHSURJWHKA-NSHDSACASA-N -1 0 306.322 -0.151 20 0 DBADRM COc1ccc([C@@H](NCC(=O)N2CCNC(=O)C2)C(=O)[O-])cc1 ZINC000737968688 599859905 /nfs/dbraw/zinc/85/99/05/599859905.db2.gz CZPRIRIBPPGDAE-CQSZACIVSA-N -1 0 321.333 -0.631 20 0 DBADRM O=C([O-])CSCCNC(=O)NCCCN1C(=O)CNC1=O ZINC000739861224 599871226 /nfs/dbraw/zinc/87/12/26/599871226.db2.gz RIFBOELIMZNGIN-UHFFFAOYSA-N -1 0 318.355 -0.955 20 0 DBADRM CN(CCCC(=O)OCC(=O)NC(=O)NC1CC1)C(=O)[O-] ZINC000737432759 599875924 /nfs/dbraw/zinc/87/59/24/599875924.db2.gz DCGLIVAEHSVQOJ-UHFFFAOYSA-N -1 0 301.299 -0.092 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737349914 599876833 /nfs/dbraw/zinc/87/68/33/599876833.db2.gz JFPJFIOTQJCBAD-UHFFFAOYSA-N -1 0 321.333 -0.153 20 0 DBADRM NS(=O)(=O)c1cnn(CC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000738446979 599876980 /nfs/dbraw/zinc/87/69/80/599876980.db2.gz WMJQPEFCJWPORQ-UHFFFAOYSA-N -1 0 324.318 -0.133 20 0 DBADRM CN(CC(=O)NCCSCC(=O)[O-])c1ncnc2nc[nH]c21 ZINC000737393564 599889085 /nfs/dbraw/zinc/88/90/85/599889085.db2.gz CGAZKCLMVDMMJM-UHFFFAOYSA-N -1 0 324.366 -0.277 20 0 DBADRM O=C([O-])CSCCNC(=O)[C@]12CCC(=O)N1CCS2 ZINC000739857325 599891230 /nfs/dbraw/zinc/89/12/30/599891230.db2.gz HESCKKOKKHSQOE-LLVKDONJSA-N -1 0 304.393 -0.014 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)NCCSCC(=O)[O-] ZINC000736820142 599906150 /nfs/dbraw/zinc/90/61/50/599906150.db2.gz AGKNJAZEXSYWEK-JTQLQIEISA-N -1 0 305.400 -0.176 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCc2nnc(N(C)C)cc2C1 ZINC000736209370 599914379 /nfs/dbraw/zinc/91/43/79/599914379.db2.gz SQUYYSQYGYGTJM-VIFPVBQESA-N -1 0 307.354 -0.510 20 0 DBADRM Cc1nc(CN2CCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)oc1C ZINC000738858424 599914394 /nfs/dbraw/zinc/91/43/94/599914394.db2.gz RMGXKPRYYJXAAI-NSHDSACASA-N -1 0 324.381 -0.002 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)COCC(=O)NCc2cccnc2)C1 ZINC000739322943 599915382 /nfs/dbraw/zinc/91/53/82/599915382.db2.gz XRLXELUGUSGUQP-GFCCVEGCSA-N -1 0 321.333 -0.353 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCCN(c2cccnn2)CC1 ZINC000739734546 599915721 /nfs/dbraw/zinc/91/57/21/599915721.db2.gz LNRFXDTYMLUKKP-UHFFFAOYSA-N -1 0 307.354 -0.420 20 0 DBADRM O=C([O-])/C=C1/SCC(=O)N1CCCN1CCn2cnnc2C1 ZINC000739623909 599918695 /nfs/dbraw/zinc/91/86/95/599918695.db2.gz HFNJCNKJELSSAD-WUXMJOGZSA-N -1 0 323.378 -0.015 20 0 DBADRM Cc1cc(C)n(C[C@H]2CN([C@@H](C)C(=O)NCC(=O)[O-])CCO2)n1 ZINC000738371402 599919926 /nfs/dbraw/zinc/91/99/26/599919926.db2.gz XAIILTNUQCPKNS-QWHCGFSZSA-N -1 0 324.381 -0.210 20 0 DBADRM Cn1ccnc1CN1CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC000739054772 599925441 /nfs/dbraw/zinc/92/54/41/599925441.db2.gz CCZZIIIODVTNPU-UHFFFAOYSA-N -1 0 309.370 -0.871 20 0 DBADRM O=C([O-])/C=C1\SCC(=O)N1CCCN1CCCNC(=O)C1 ZINC000739628076 599939093 /nfs/dbraw/zinc/93/90/93/599939093.db2.gz XYYVKJDDVUJUNI-GHXNOFRVSA-N -1 0 313.379 -0.300 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CCO1 ZINC000261839268 599941841 /nfs/dbraw/zinc/94/18/41/599941841.db2.gz CGSLDQFMPUHWLM-YUMQZZPRSA-N -1 0 324.255 -0.291 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CSc2nnnn2C2CC2)CCO1 ZINC000043701823 599942550 /nfs/dbraw/zinc/94/25/50/599942550.db2.gz QMZPTHMZDUZVTK-QMMMGPOBSA-N -1 0 313.339 -0.588 20 0 DBADRM NC(=O)COc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000261970261 599945246 /nfs/dbraw/zinc/94/52/46/599945246.db2.gz PZJHDBZOZZDKEO-NSHDSACASA-N -1 0 308.290 -0.524 20 0 DBADRM CC(=O)NC(C)(C)C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000736145512 599946930 /nfs/dbraw/zinc/94/69/30/599946930.db2.gz SBEJQMOOQXSISH-UHFFFAOYSA-N -1 0 314.338 -0.233 20 0 DBADRM O=C([O-])[C@H](CNC(=O)Cn1cnnn1)Cc1cccc(F)c1 ZINC000362565088 599947857 /nfs/dbraw/zinc/94/78/57/599947857.db2.gz QUKNAYSBVAIQRW-JTQLQIEISA-N -1 0 307.285 -0.128 20 0 DBADRM NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738438648 599948479 /nfs/dbraw/zinc/94/84/79/599948479.db2.gz BQTOJLMKYVOTHR-NWDGAFQWSA-N -1 0 321.333 -0.422 20 0 DBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1F ZINC000739175856 599953950 /nfs/dbraw/zinc/95/39/50/599953950.db2.gz CGTDYGCGKZIGLW-SSDOTTSWSA-N -1 0 323.280 -0.204 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)N2CCN(CCO)CC2)n1 ZINC000739898335 599957492 /nfs/dbraw/zinc/95/74/92/599957492.db2.gz XDTFGTSPRLNTTG-UHFFFAOYSA-N -1 0 314.367 -0.088 20 0 DBADRM NS(=O)(=O)CCNC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000738445838 599958332 /nfs/dbraw/zinc/95/83/32/599958332.db2.gz YXXIDUKXRBKDNL-UHFFFAOYSA-N -1 0 308.341 -0.820 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCN(CCO)CC1)C(=O)[O-] ZINC000033450247 599960190 /nfs/dbraw/zinc/96/01/90/599960190.db2.gz DGYIVRKXISRUIS-LBPRGKRZSA-N -1 0 301.387 -0.788 20 0 DBADRM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000736541061 599968282 /nfs/dbraw/zinc/96/82/82/599968282.db2.gz OYYINXRJCZCZMH-PWSUYJOCSA-N -1 0 322.365 0.000 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000739554982 599973720 /nfs/dbraw/zinc/97/37/20/599973720.db2.gz WYXCJCNINFWRKY-MNOVXSKESA-N -1 0 308.338 -0.126 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCO[C@H](C(=O)OC)C1)C(=O)[O-] ZINC000736883643 599974754 /nfs/dbraw/zinc/97/47/54/599974754.db2.gz KFFAOAWFYWJHOD-NHCYSSNCSA-N -1 0 316.354 -0.524 20 0 DBADRM O=C(CN1CCO[C@@H](C(=O)[O-])C1)NCCOc1ccccc1 ZINC000315435697 599975249 /nfs/dbraw/zinc/97/52/49/599975249.db2.gz WOTVTGJVNPTBET-CYBMUJFWSA-N -1 0 308.334 -0.033 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC000737586612 599977788 /nfs/dbraw/zinc/97/77/88/599977788.db2.gz BUQHFFRIGUELOS-NSHDSACASA-N -1 0 314.338 -0.817 20 0 DBADRM CN(Cc1ccccc1)C(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000309578839 599982570 /nfs/dbraw/zinc/98/25/70/599982570.db2.gz RFSSDHOZPGFMRT-CYBMUJFWSA-N -1 0 319.361 -0.080 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CN1Cc2ccccc2C1=O ZINC000739814953 599992529 /nfs/dbraw/zinc/99/25/29/599992529.db2.gz ZWBIKYZRQUKMOA-UHFFFAOYSA-N -1 0 306.274 -0.614 20 0 DBADRM COCCN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@@H](C)C(N)=O ZINC000737767642 599992834 /nfs/dbraw/zinc/99/28/34/599992834.db2.gz FRDBNPREIPFUPA-JTQLQIEISA-N -1 0 315.370 -0.868 20 0 DBADRM CN(C)C(=O)c1cccc(C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000737356079 599995787 /nfs/dbraw/zinc/99/57/87/599995787.db2.gz JLOSINOLYZJDHN-UHFFFAOYSA-N -1 0 308.290 -0.254 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCCN1C(=O)CCC1=O ZINC000737605190 600008158 /nfs/dbraw/zinc/00/81/58/600008158.db2.gz SYXNVBDJBAAKMB-UHFFFAOYSA-N -1 0 314.294 -0.998 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000737619476 600009257 /nfs/dbraw/zinc/00/92/57/600009257.db2.gz JITRUYLDONECHT-UHFFFAOYSA-N -1 0 310.262 -0.432 20 0 DBADRM COC(=O)CN(CCn1nc2ccccn2c1=O)CC(=O)[O-] ZINC000737619556 600013260 /nfs/dbraw/zinc/01/32/60/600013260.db2.gz LLSQYJZEZCKDJE-UHFFFAOYSA-N -1 0 308.294 -0.944 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cncc(F)c1 ZINC000737619408 600014853 /nfs/dbraw/zinc/01/48/53/600014853.db2.gz GXLKHKYIVNFLJB-UHFFFAOYSA-N -1 0 306.271 -0.531 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000045013944 600036736 /nfs/dbraw/zinc/03/67/36/600036736.db2.gz JFOBJGOVUOLMPI-UWVGGRQHSA-N -1 0 301.343 -0.214 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000737384581 600037815 /nfs/dbraw/zinc/03/78/15/600037815.db2.gz GNAGYRYRNDCADN-QWRGUYRKSA-N -1 0 318.395 -0.572 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000736242845 600039694 /nfs/dbraw/zinc/03/96/94/600039694.db2.gz ZWZKZOXZSUPNPP-VIFPVBQESA-N -1 0 301.343 -0.356 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736242843 600039810 /nfs/dbraw/zinc/03/98/10/600039810.db2.gz ZWZKZOXZSUPNPP-SECBINFHSA-N -1 0 301.343 -0.356 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 ZINC000739809261 600047017 /nfs/dbraw/zinc/04/70/17/600047017.db2.gz RBJJEBUHKJPYOA-UHFFFAOYSA-N -1 0 305.334 -0.355 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCCNC(=O)C2)ccc1C(=O)[O-] ZINC000738405733 600050094 /nfs/dbraw/zinc/05/00/94/600050094.db2.gz HISNZUOPOHIJRW-UHFFFAOYSA-N -1 0 319.317 -0.020 20 0 DBADRM COc1ccncc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738143063 600053302 /nfs/dbraw/zinc/05/33/02/600053302.db2.gz JCVSXHWGWRICPH-SNVBAGLBSA-N -1 0 309.278 -0.659 20 0 DBADRM CN(C)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000737376798 600054072 /nfs/dbraw/zinc/05/40/72/600054072.db2.gz XLJIUWICVAMZQS-JTQLQIEISA-N -1 0 322.321 -0.602 20 0 DBADRM CCOc1ncccc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000737222844 600055140 /nfs/dbraw/zinc/05/51/40/600055140.db2.gz WSSWQAPGAJLMMY-JTQLQIEISA-N -1 0 323.305 -0.269 20 0 DBADRM CCCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000737025340 600071825 /nfs/dbraw/zinc/07/18/25/600071825.db2.gz UFSOXVKLKSGZLE-VXGBXAGGSA-N -1 0 311.382 -0.186 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)C1(C(N)=O)CC1)C(=O)[O-] ZINC000736886017 600087946 /nfs/dbraw/zinc/08/79/46/600087946.db2.gz OLELNIIQXSCHEQ-APPZFPTMSA-N -1 0 300.311 -0.589 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCOC[C@@H]2CCOC2)CCO1 ZINC000738546971 600098603 /nfs/dbraw/zinc/09/86/03/600098603.db2.gz VQIAGHFCJDENAU-GHMZBOCLSA-N -1 0 302.327 -0.466 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262702037 600101881 /nfs/dbraw/zinc/10/18/81/600101881.db2.gz ZGQIBDMNCAKPCK-MRVPVSSYSA-N -1 0 304.310 -0.268 20 0 DBADRM O=C([O-])C1CCC(NC(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000738459006 600104797 /nfs/dbraw/zinc/10/47/97/600104797.db2.gz ICJPSEYCVNITOP-UHFFFAOYSA-N -1 0 309.322 -0.314 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NCCC(=O)[O-] ZINC000736839996 600105837 /nfs/dbraw/zinc/10/58/37/600105837.db2.gz QGEBKLRNWGUKIO-MRVPVSSYSA-N -1 0 318.351 -0.568 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000736840431 600106268 /nfs/dbraw/zinc/10/62/68/600106268.db2.gz YMDXBNCUPSBLMH-YUMQZZPRSA-N -1 0 318.351 -0.570 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000736840430 600106295 /nfs/dbraw/zinc/10/62/95/600106295.db2.gz YMDXBNCUPSBLMH-SFYZADRCSA-N -1 0 318.351 -0.570 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000739545179 600115680 /nfs/dbraw/zinc/11/56/80/600115680.db2.gz QTKQOCXCLKGGHH-HBNTYKKESA-N -1 0 316.379 -0.962 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1C(N)=O ZINC000738406619 600127610 /nfs/dbraw/zinc/12/76/10/600127610.db2.gz KADNBTFBHHKRLF-SECBINFHSA-N -1 0 319.317 -0.034 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000740056755 600139307 /nfs/dbraw/zinc/13/93/07/600139307.db2.gz KONYBYIRPUPEMH-NDBYEHHHSA-N -1 0 312.366 -0.324 20 0 DBADRM CS(=O)(=O)NCCC(=O)OCC(=O)c1cc(C(=O)[O-])co1 ZINC000738164568 600139567 /nfs/dbraw/zinc/13/95/67/600139567.db2.gz BMFFCDUWXLNCTG-UHFFFAOYSA-N -1 0 319.291 -0.357 20 0 DBADRM CCOC(=O)N1CCN(CCC(=O)N(C)CC(=O)[O-])CC1 ZINC000737145109 600158280 /nfs/dbraw/zinc/15/82/80/600158280.db2.gz FXNLAFWAMJVVEB-UHFFFAOYSA-N -1 0 301.343 -0.306 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000739543584 600159611 /nfs/dbraw/zinc/15/96/11/600159611.db2.gz BQMNOHUQUGHYAS-QWHCGFSZSA-N -1 0 323.393 -0.136 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc2c(c1)NC(=O)CN2 ZINC000739813591 600165011 /nfs/dbraw/zinc/16/50/11/600165011.db2.gz MDXQAJPZUDKKBP-UHFFFAOYSA-N -1 0 307.262 -0.592 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)CN1CC(=O)NC1=O)c1cccs1 ZINC000739625853 600166340 /nfs/dbraw/zinc/16/63/40/600166340.db2.gz BENKMJUZLDHSIY-SSDOTTSWSA-N -1 0 311.319 -0.068 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cn1ccc(C(F)(F)F)n1 ZINC000737611423 600171381 /nfs/dbraw/zinc/17/13/81/600171381.db2.gz PGIZZLXHRKDCJQ-UHFFFAOYSA-N -1 0 323.227 -0.012 20 0 DBADRM CN(C(=O)CSCC(=O)N1CCOCC1)C(C)(C)C(=O)[O-] ZINC000061150254 600171424 /nfs/dbraw/zinc/17/14/24/600171424.db2.gz UAQIQUJLDKZWKN-UHFFFAOYSA-N -1 0 318.395 -0.100 20 0 DBADRM Cc1cnc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cn1 ZINC000738801770 600172352 /nfs/dbraw/zinc/17/23/52/600172352.db2.gz AEDKKECMNAOSPR-UHFFFAOYSA-N -1 0 308.338 -0.356 20 0 DBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CN1CC(=O)NC1=O ZINC000738475756 600174858 /nfs/dbraw/zinc/17/48/58/600174858.db2.gz DQCKKIPCELNTND-UHFFFAOYSA-N -1 0 321.289 -0.051 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000736261995 600180745 /nfs/dbraw/zinc/18/07/45/600180745.db2.gz BKMADTXQXKCCOB-UHFFFAOYSA-N -1 0 319.343 -0.912 20 0 DBADRM NC(=O)COc1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1 ZINC000739163871 600182282 /nfs/dbraw/zinc/18/22/82/600182282.db2.gz VUAMJBKQJVAINI-UHFFFAOYSA-N -1 0 319.277 -0.452 20 0 DBADRM Cc1sc(=O)n(CC(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1C ZINC000738989788 600183126 /nfs/dbraw/zinc/18/31/26/600183126.db2.gz FZIZXPPRKGYACO-UHFFFAOYSA-N -1 0 311.323 -0.089 20 0 DBADRM C[C@H](CC(=O)[O-])S(=O)(=O)CC(=O)N(C)Cc1cnn(C)c1 ZINC000736549974 600194009 /nfs/dbraw/zinc/19/40/09/600194009.db2.gz MEUKGAAFHHJDLZ-SECBINFHSA-N -1 0 317.367 -0.344 20 0 DBADRM Cc1nn(CC(=O)OCC(=O)NCC(=O)[O-])c(C)c1Cl ZINC000738921932 600194529 /nfs/dbraw/zinc/19/45/29/600194529.db2.gz UTRAFJLKRYKJRN-UHFFFAOYSA-N -1 0 303.702 -0.103 20 0 DBADRM O=C([O-])NCCCC(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC000739976226 600196543 /nfs/dbraw/zinc/19/65/43/600196543.db2.gz VCFAOBQCWOCUAT-UHFFFAOYSA-N -1 0 315.326 -0.684 20 0 DBADRM C[C@@H](NC(=O)COC(=O)CCCNC(=O)[O-])C(=O)N(C)C ZINC000736639261 600197305 /nfs/dbraw/zinc/19/73/05/600197305.db2.gz RMJXIRGHTCSTGD-MRVPVSSYSA-N -1 0 303.315 -0.830 20 0 DBADRM C[C@H](CS(=O)(=O)[C@@H](C)C(=O)NC[C@H]1CCCO1)C(=O)[O-] ZINC000736614802 600197539 /nfs/dbraw/zinc/19/75/39/600197539.db2.gz KGCBLZHJHMVIFO-KXUCPTDWSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@@H](CS(=O)(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC000736613566 600198201 /nfs/dbraw/zinc/19/82/01/600198201.db2.gz GBBFKGPXMHOAQQ-QMMMGPOBSA-N -1 0 320.367 -0.158 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)CCNC(=O)[O-])C1 ZINC000736149831 600202557 /nfs/dbraw/zinc/20/25/57/600202557.db2.gz PNZDSULEDFXDJH-JTQLQIEISA-N -1 0 315.326 -0.686 20 0 DBADRM C[C@@H](OC(=O)CCNC(=O)[O-])C(=O)Nc1ncnc2[nH]cnc21 ZINC000736689272 600203363 /nfs/dbraw/zinc/20/33/63/600203363.db2.gz QDAUJCZAJZXDMV-ZCFIWIBFSA-N -1 0 322.281 -0.119 20 0 DBADRM NC(=O)CNC(=O)c1ccc(OC(=O)CCCNC(=O)[O-])cc1 ZINC000739163974 600203596 /nfs/dbraw/zinc/20/35/96/600203596.db2.gz XSTHICPLXIYENP-UHFFFAOYSA-N -1 0 323.305 -0.145 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)O[C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000737508891 600215558 /nfs/dbraw/zinc/21/55/58/600215558.db2.gz QAYHKDYFHVJBBV-JTQLQIEISA-N -1 0 320.257 -0.224 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CN1CC(=O)Nc2ccccc21 ZINC000739813666 600218599 /nfs/dbraw/zinc/21/85/99/600218599.db2.gz PHDXOOTXQWSNIW-UHFFFAOYSA-N -1 0 321.289 -0.811 20 0 DBADRM O=C([O-])CCCN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000739672686 600224101 /nfs/dbraw/zinc/22/41/01/600224101.db2.gz HXTBSZUOBNLNBK-UHFFFAOYSA-N -1 0 321.399 -0.954 20 0 DBADRM CCN1CCO[C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000165898036 600225286 /nfs/dbraw/zinc/22/52/86/600225286.db2.gz CUMSWKVUSMTMQO-VIFPVBQESA-N -1 0 318.351 -0.023 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000737572386 600230928 /nfs/dbraw/zinc/23/09/28/600230928.db2.gz BGWUTDWJFNHWMC-VWYCJHECSA-N -1 0 316.354 -0.790 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)NCCSCC(=O)[O-] ZINC000737221368 600237015 /nfs/dbraw/zinc/23/70/15/600237015.db2.gz XSHGRQILDQQRAM-MRVPVSSYSA-N -1 0 312.413 -0.073 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc(N2CCCC2)nn1)C(=O)[O-] ZINC000737592832 600242616 /nfs/dbraw/zinc/24/26/16/600242616.db2.gz SAPYOKNBZDXGHQ-SNVBAGLBSA-N -1 0 322.321 -0.177 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)OC ZINC000736839417 600243305 /nfs/dbraw/zinc/24/33/05/600243305.db2.gz DEWSCYROCYWVIB-JGVFFNPUSA-N -1 0 318.351 -0.570 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N[C@H](CC(=O)OC)C(=O)[O-] ZINC000736840192 600243743 /nfs/dbraw/zinc/24/37/43/600243743.db2.gz UNFFGAILFYSNAC-SFYZADRCSA-N -1 0 318.351 -0.570 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CN(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC000737595256 600244264 /nfs/dbraw/zinc/24/42/64/600244264.db2.gz BVEVGLUMSALZOV-MRVPVSSYSA-N -1 0 318.326 -0.014 20 0 DBADRM COC(=O)C[C@@H](NC(=O)C(=O)Nc1ccc(OC)cc1)C(=O)[O-] ZINC000737598835 600254932 /nfs/dbraw/zinc/25/49/32/600254932.db2.gz RMLSJZVJJYNFMB-SNVBAGLBSA-N -1 0 324.289 -0.234 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CCCn1ccccc1=O ZINC000737569216 600254972 /nfs/dbraw/zinc/25/49/72/600254972.db2.gz ZCPKCDIORKZSKP-SNVBAGLBSA-N -1 0 310.306 -0.239 20 0 DBADRM O=C([O-])CCSCCNC(=O)CCN1C(=O)CCC1=O ZINC000739741427 600255596 /nfs/dbraw/zinc/25/55/96/600255596.db2.gz CQFTUVIFZQNVKN-UHFFFAOYSA-N -1 0 302.352 -0.150 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@H]1CCCOC1 ZINC000739785138 600262009 /nfs/dbraw/zinc/26/20/09/600262009.db2.gz MBMRRTYWYMAMAO-LBPRGKRZSA-N -1 0 300.355 -0.342 20 0 DBADRM C[C@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])n1cccn1 ZINC000736199342 600262445 /nfs/dbraw/zinc/26/24/45/600262445.db2.gz IQMNKSVBOQPMAK-GFCCVEGCSA-N -1 0 310.354 -0.311 20 0 DBADRM C[S@@](=O)CCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000157865932 600263573 /nfs/dbraw/zinc/26/35/73/600263573.db2.gz NVSWFIUNFYPCPA-SFHVURJKSA-N -1 0 305.377 -0.030 20 0 DBADRM CN(C)c1ncc(CNS(=O)(=O)CCCC(=O)[O-])n1C ZINC000737387321 600264967 /nfs/dbraw/zinc/26/49/67/600264967.db2.gz WRHMWNJFKZVBNP-UHFFFAOYSA-N -1 0 304.372 -0.230 20 0 DBADRM COC(=O)CN(CCN1CCOCC1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000737619406 600265436 /nfs/dbraw/zinc/26/54/36/600265436.db2.gz GWLWWYMIAKTZPX-QWRGUYRKSA-N -1 0 314.338 -0.959 20 0 DBADRM COC(=O)[C@H]1C[C@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737580469 600265582 /nfs/dbraw/zinc/26/55/82/600265582.db2.gz XODHIEITXDTDDP-MNOVXSKESA-N -1 0 314.338 -0.959 20 0 DBADRM C[C@H](OC(=O)CCCn1ccccc1=O)C(=O)NCC(=O)[O-] ZINC000736691528 600266739 /nfs/dbraw/zinc/26/67/39/600266739.db2.gz VXUJJKJBNZDKEQ-JTQLQIEISA-N -1 0 310.306 -0.239 20 0 DBADRM C[C@@H](OC(=O)CCCn1ccccc1=O)C(=O)NCC(=O)[O-] ZINC000736691532 600266798 /nfs/dbraw/zinc/26/67/98/600266798.db2.gz VXUJJKJBNZDKEQ-SNVBAGLBSA-N -1 0 310.306 -0.239 20 0 DBADRM O=C([O-])CSCCNC(=O)NC[C@@H](O)C1CCOCC1 ZINC000739859600 600267774 /nfs/dbraw/zinc/26/77/74/600267774.db2.gz AQPDQEKHSYFDEY-SNVBAGLBSA-N -1 0 306.384 -0.109 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000739635996 600286890 /nfs/dbraw/zinc/28/68/90/600286890.db2.gz XUPKGZAEZLQXBZ-YUMQZZPRSA-N -1 0 323.271 -0.575 20 0 DBADRM O=C(CN1CCS(=O)CC1)NC1(C(=O)[O-])CCCCC1 ZINC000739295913 600300500 /nfs/dbraw/zinc/30/05/00/600300500.db2.gz VEYXOIZKFDJRKN-UHFFFAOYSA-N -1 0 302.396 -0.046 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)C2CC2)CC1)C(C)(C)C(=O)[O-] ZINC000737388944 600307727 /nfs/dbraw/zinc/30/77/27/600307727.db2.gz KAPAJWUFLNAPEI-UHFFFAOYSA-N -1 0 311.382 -0.138 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCN2C(=O)CCC2=O)o1 ZINC000405442440 600310656 /nfs/dbraw/zinc/31/06/56/600310656.db2.gz QAYVBDRZJFVXQQ-UHFFFAOYSA-N -1 0 316.291 -0.595 20 0 DBADRM CC(C)n1nnnc1CN(CCN1CCOCC1)CC(=O)[O-] ZINC000736541050 600315878 /nfs/dbraw/zinc/31/58/78/600315878.db2.gz ONNBIQGQZXAHPL-UHFFFAOYSA-N -1 0 312.374 -0.527 20 0 DBADRM CC[C@@H](C)NC(=O)CN(CCN1CCOCC1)CC(=O)[O-] ZINC000736888436 600316324 /nfs/dbraw/zinc/31/63/24/600316324.db2.gz XIAQKNPJQSRIDY-GFCCVEGCSA-N -1 0 301.387 -0.380 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)Cc1nnc2n1CCCC2 ZINC000739792708 600316829 /nfs/dbraw/zinc/31/68/29/600316829.db2.gz YGOTZTUSQLJRRL-UHFFFAOYSA-N -1 0 323.397 -0.167 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)nc2)CCO1 ZINC000739471446 600320637 /nfs/dbraw/zinc/32/06/37/600320637.db2.gz KYAREOKZODIGCE-MRVPVSSYSA-N -1 0 313.697 -0.015 20 0 DBADRM CCc1cc(NC(=O)C(=O)NCCSCC(=O)[O-])n(C)n1 ZINC000737255171 600321140 /nfs/dbraw/zinc/32/11/40/600321140.db2.gz XKFRFDNLIYEKIC-UHFFFAOYSA-N -1 0 314.367 -0.145 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCOCCO)c(F)c1 ZINC000739428661 600331012 /nfs/dbraw/zinc/33/10/12/600331012.db2.gz NEDDBDVCIIDZNE-UHFFFAOYSA-N -1 0 314.269 -0.413 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000738587785 600334113 /nfs/dbraw/zinc/33/41/13/600334113.db2.gz HNHNVJKQJSNINB-UHFFFAOYSA-N -1 0 320.305 -0.041 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000738591136 600335965 /nfs/dbraw/zinc/33/59/65/600335965.db2.gz VSFDUQKTNKZFDY-UHFFFAOYSA-N -1 0 317.305 -0.144 20 0 DBADRM CCNC(=O)CN(CC)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000070197582 600339118 /nfs/dbraw/zinc/33/91/18/600339118.db2.gz NWLRTILINFZZCJ-UHFFFAOYSA-N -1 0 318.355 -0.437 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000737648825 600340244 /nfs/dbraw/zinc/34/02/44/600340244.db2.gz HIGPIMRAOXOFRP-ZCFIWIBFSA-N -1 0 319.339 -0.154 20 0 DBADRM CCOC(=O)CN(CC)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000070446603 600340735 /nfs/dbraw/zinc/34/07/35/600340735.db2.gz LXPZZMFHJXAPJN-UHFFFAOYSA-N -1 0 319.339 -0.010 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1)C(=O)[O-] ZINC000736587397 600345236 /nfs/dbraw/zinc/34/52/36/600345236.db2.gz AIUJUHGVPALADS-MRVPVSSYSA-N -1 0 307.306 -0.510 20 0 DBADRM CC(C)(O)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000736341309 600347606 /nfs/dbraw/zinc/34/76/06/600347606.db2.gz VEHRSHYMQDCJEV-NSHDSACASA-N -1 0 322.317 -0.248 20 0 DBADRM COC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000737732982 600348648 /nfs/dbraw/zinc/34/86/48/600348648.db2.gz LFURSRXRILHCSH-OAHLLOKOSA-N -1 0 324.333 -0.234 20 0 DBADRM NC(=O)CCCNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000739157704 600363623 /nfs/dbraw/zinc/36/36/23/600363623.db2.gz RHJGLRCPGBNKJN-UHFFFAOYSA-N -1 0 322.321 -0.226 20 0 DBADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CN1CC(=O)NC1=O)C2 ZINC000740306400 600365206 /nfs/dbraw/zinc/36/52/06/600365206.db2.gz DRFHKOWGUKOKPY-UHFFFAOYSA-N -1 0 303.274 -0.221 20 0 DBADRM Cc1[nH]c(C(=O)COC(=O)[C@@H]2CNC(=O)N2)c(C)c1C(=O)[O-] ZINC000738157034 600369662 /nfs/dbraw/zinc/36/96/62/600369662.db2.gz ZOFDTNWPSSXBBA-ZETCQYMHSA-N -1 0 309.278 -0.263 20 0 DBADRM Cc1[nH]c(C(=O)COC(=O)[C@H]2CNC(=O)N2)c(C)c1C(=O)[O-] ZINC000738157033 600369778 /nfs/dbraw/zinc/36/97/78/600369778.db2.gz ZOFDTNWPSSXBBA-SSDOTTSWSA-N -1 0 309.278 -0.263 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCCN(C(N)=O)CC1)C(=O)[O-] ZINC000736877654 600373571 /nfs/dbraw/zinc/37/35/71/600373571.db2.gz KIDWQCDGTHTMCZ-JQWIXIFHSA-N -1 0 314.386 -0.312 20 0 DBADRM COC[C@@H](O)CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000071273484 600396625 /nfs/dbraw/zinc/39/66/25/600396625.db2.gz OHTHXDSMLCDFBF-ZETCQYMHSA-N -1 0 304.324 -0.549 20 0 DBADRM NC(=O)[C@H](NS(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000738438586 600401511 /nfs/dbraw/zinc/40/15/11/600401511.db2.gz ZFZVKRMCKRUEDM-LLVKDONJSA-N -1 0 300.336 -0.003 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000737554144 600409726 /nfs/dbraw/zinc/40/97/26/600409726.db2.gz XAPOPZJMKTUOOM-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N(C)CC(=O)NCc1ccccc1 ZINC000736206753 600439112 /nfs/dbraw/zinc/43/91/12/600439112.db2.gz DYCUWLPXLXGOMT-LLVKDONJSA-N -1 0 307.350 -0.176 20 0 DBADRM Cc1nc(CN2CCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)no1 ZINC000738858469 600442549 /nfs/dbraw/zinc/44/25/49/600442549.db2.gz UAURASKYUNNFFV-VIFPVBQESA-N -1 0 311.342 -0.915 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC000737409424 600443942 /nfs/dbraw/zinc/44/39/42/600443942.db2.gz HLPQBDUNAUDWEJ-UHFFFAOYSA-N -1 0 305.400 -0.335 20 0 DBADRM Cc1cc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)[nH]n1 ZINC000716800445 600444370 /nfs/dbraw/zinc/44/43/70/600444370.db2.gz KORAVIGRGZMEPO-UHFFFAOYSA-N -1 0 302.356 -0.151 20 0 DBADRM COCCN(CC(=O)OC)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000737779815 600447493 /nfs/dbraw/zinc/44/74/93/600447493.db2.gz UOGYLQCQXZOCTJ-UHFFFAOYSA-N -1 0 316.354 -0.569 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN(C)[C@@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000736411408 600467028 /nfs/dbraw/zinc/46/70/28/600467028.db2.gz GQJSTJBJBKYAPB-WDEREUQCSA-N -1 0 322.427 -0.033 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)N3CC[C@@H](C(=O)[O-])C3)C2=O)cn1 ZINC000739033014 600467087 /nfs/dbraw/zinc/46/70/87/600467087.db2.gz CPWIPYAORFXSBJ-KOLCDFICSA-N -1 0 321.337 -0.359 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCCNC(=O)c1ccco1 ZINC000738583352 600492264 /nfs/dbraw/zinc/49/22/64/600492264.db2.gz YZZZLCUWAQONGQ-UHFFFAOYSA-N -1 0 304.324 -0.206 20 0 DBADRM CC(=O)NC[C@H]1CN(S(=O)(=O)CCCC(=O)[O-])CCO1 ZINC000736146864 600500548 /nfs/dbraw/zinc/50/05/48/600500548.db2.gz DCORUQJXZOLSSL-JTQLQIEISA-N -1 0 308.356 -0.982 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000738584442 600500954 /nfs/dbraw/zinc/50/09/54/600500954.db2.gz GGQDCWFERRFRHX-JTQLQIEISA-N -1 0 318.355 -0.827 20 0 DBADRM CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1=O ZINC000737515435 600509816 /nfs/dbraw/zinc/50/98/16/600509816.db2.gz VPPBHPSRRBGMEY-SNVBAGLBSA-N -1 0 323.280 -0.191 20 0 DBADRM CCN(C)C(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000737066585 600524000 /nfs/dbraw/zinc/52/40/00/600524000.db2.gz FAAXUZXTPXJOMK-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)NCCNC(N)=O)c(C(=O)[O-])c1C ZINC000736175788 600531338 /nfs/dbraw/zinc/53/13/38/600531338.db2.gz DBPNPHKGQLJXNS-UHFFFAOYSA-N -1 0 310.310 -0.449 20 0 DBADRM CNC(=O)c1ccc(C(=O)Nc2cnn(CC(=O)[O-])c2)cn1 ZINC000737544223 600531634 /nfs/dbraw/zinc/53/16/34/600531634.db2.gz AKRUCRJKYLONJB-UHFFFAOYSA-N -1 0 303.278 -0.025 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000736839588 600532897 /nfs/dbraw/zinc/53/28/97/600532897.db2.gz DURCQGKQELHYBW-ZCFIWIBFSA-N -1 0 313.339 -0.318 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)NCCCN2C(=O)CNC2=O)o1 ZINC000739415160 600532880 /nfs/dbraw/zinc/53/28/80/600532880.db2.gz FQXXYTHIZAKHCN-UHFFFAOYSA-N -1 0 324.293 -0.281 20 0 DBADRM COC(=O)Cc1nc(NC(=O)c2ccc(C(=O)[O-])cn2)n[nH]1 ZINC000737631935 600534455 /nfs/dbraw/zinc/53/44/55/600534455.db2.gz XCACOHWVADLMPG-UHFFFAOYSA-N -1 0 305.250 -0.134 20 0 DBADRM NC(=O)CSCC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000739161278 600536811 /nfs/dbraw/zinc/53/68/11/600536811.db2.gz ODRDEYJNJZQXMS-VIFPVBQESA-N -1 0 304.368 -0.313 20 0 DBADRM NC(=O)c1ccc(OCC(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1 ZINC000739179862 600537371 /nfs/dbraw/zinc/53/73/71/600537371.db2.gz CVDFUFAYFWDXID-UHFFFAOYSA-N -1 0 319.277 -0.452 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCc3cncnc3C2)c1C(=O)[O-] ZINC000738337304 600543795 /nfs/dbraw/zinc/54/37/95/600543795.db2.gz JCGWDUCAPNJCSF-UHFFFAOYSA-N -1 0 323.334 -0.047 20 0 DBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)NCCC(=O)[O-])c1 ZINC000738440881 600552118 /nfs/dbraw/zinc/55/21/18/600552118.db2.gz CDXGOAYIFHYKTG-UHFFFAOYSA-N -1 0 322.321 -0.112 20 0 DBADRM CC(C)CN(CCC(=O)[O-])C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000736432448 600554050 /nfs/dbraw/zinc/55/40/50/600554050.db2.gz BEBGRROJHOMIJC-UHFFFAOYSA-N -1 0 313.310 -0.634 20 0 DBADRM CCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)CC2 ZINC000737283310 600565893 /nfs/dbraw/zinc/56/58/93/600565893.db2.gz GUDILZBACMHDER-NXEZZACHSA-N -1 0 323.353 -0.350 20 0 DBADRM CCc1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)CC2 ZINC000737283317 600566056 /nfs/dbraw/zinc/56/60/56/600566056.db2.gz GUDILZBACMHDER-VHSXEESVSA-N -1 0 323.353 -0.350 20 0 DBADRM CCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)CC2 ZINC000737283320 600566242 /nfs/dbraw/zinc/56/62/42/600566242.db2.gz GUDILZBACMHDER-ZJUUUORDSA-N -1 0 323.353 -0.350 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CNC(=O)C1)Cc1ccc(O)cc1 ZINC000740304669 600584267 /nfs/dbraw/zinc/58/42/67/600584267.db2.gz XENGUQOCXHUKSM-QWRGUYRKSA-N -1 0 306.318 -0.112 20 0 DBADRM C[C@H](NC(N)=O)C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000736661923 600587617 /nfs/dbraw/zinc/58/76/17/600587617.db2.gz JSUWNMAUZIPNFI-WCBMZHEXSA-N -1 0 309.322 -0.192 20 0 DBADRM C[C@H](CN(C)C(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)[O-] ZINC000736570874 600594288 /nfs/dbraw/zinc/59/42/88/600594288.db2.gz FMQBQFCCJSNWRT-NQTXRORDSA-N -1 0 311.338 -0.066 20 0 DBADRM CC(C)(C)[C@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000736291425 600602135 /nfs/dbraw/zinc/60/21/35/600602135.db2.gz DKEGXWSDFVYBMO-SECBINFHSA-N -1 0 318.355 -0.854 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCS(=O)(=O)C[C@H]1C)C(=O)[O-] ZINC000736412350 600622479 /nfs/dbraw/zinc/62/24/79/600622479.db2.gz MOFXTYGOKGQUMB-MNOVXSKESA-N -1 0 320.411 -0.279 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@H]1CSCN1C(C)=O ZINC000737788155 600621218 /nfs/dbraw/zinc/62/12/18/600621218.db2.gz YSYYSXAZLCVDMR-SNVBAGLBSA-N -1 0 304.368 -0.143 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736389649 600628709 /nfs/dbraw/zinc/62/87/09/600628709.db2.gz KILHJVUBCBINAJ-JTQLQIEISA-N -1 0 306.384 -0.117 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C[C@@H](c2ccccn2)CC1=O ZINC000737616113 600637124 /nfs/dbraw/zinc/63/71/24/600637124.db2.gz SJJCATKLNSZJTA-NSHDSACASA-N -1 0 321.333 -0.085 20 0 DBADRM C[C@@H](OC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)NCC(=O)[O-] ZINC000827816526 600655404 /nfs/dbraw/zinc/65/54/04/600655404.db2.gz AAQGVEGCQKATMT-MRVPVSSYSA-N -1 0 321.351 -0.524 20 0 DBADRM COc1ncnc(OC)c1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000832659906 600664912 /nfs/dbraw/zinc/66/49/12/600664912.db2.gz PGNHVVSIFGQQSA-LURJTMIESA-N -1 0 313.266 -0.760 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N(CCOC)CC(=O)[O-] ZINC000262419327 600669929 /nfs/dbraw/zinc/66/99/29/600669929.db2.gz PXJIRJCCQRRSIQ-UHFFFAOYSA-N -1 0 310.372 -0.782 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)CCN1C(=O)CCC1=O ZINC000091128122 600672370 /nfs/dbraw/zinc/67/23/70/600672370.db2.gz LZLZXFRJGNZXON-VIFPVBQESA-N -1 0 314.363 -0.056 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)O[C@H](C)C(=O)N1CCNC1=O ZINC000827810079 600675492 /nfs/dbraw/zinc/67/54/92/600675492.db2.gz KYZYXTSVVUSBHB-HTQZYQBOSA-N -1 0 301.299 -0.238 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NCCc1ccc(C(=O)[O-])cc1)C(N)=O ZINC000736155539 600681350 /nfs/dbraw/zinc/68/13/50/600681350.db2.gz IFZZMLNLOBDNKW-LBPRGKRZSA-N -1 0 321.333 -0.576 20 0 DBADRM Cn1cc(N2C(=O)C[C@H](N3CCC[C@H](C(=O)[O-])C3)C2=O)cn1 ZINC000738404766 600685070 /nfs/dbraw/zinc/68/50/70/600685070.db2.gz CADSORNVLISBIU-ONGXEEELSA-N -1 0 306.322 -0.151 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(C)C ZINC000035651849 600689183 /nfs/dbraw/zinc/68/91/83/600689183.db2.gz NRUSVVKRXHSKBI-JTQLQIEISA-N -1 0 319.339 -0.556 20 0 DBADRM Cc1c(C(=O)O[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)nnn1C ZINC000832853221 600689229 /nfs/dbraw/zinc/68/92/29/600689229.db2.gz GJCHKJZKNDVTHH-SECBINFHSA-N -1 0 324.337 -0.008 20 0 DBADRM CCNC(=O)CN(CC)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000037830113 600693942 /nfs/dbraw/zinc/69/39/42/600693942.db2.gz SCUVITDBHMQPFT-UHFFFAOYSA-N -1 0 318.355 -0.886 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000739634392 600695513 /nfs/dbraw/zinc/69/55/13/600695513.db2.gz NELSVUUYBWWVKE-JQWIXIFHSA-N -1 0 322.292 -0.069 20 0 DBADRM Cc1nn(C)c(C)c1C[C@H](C)C(=O)OCC(=O)NCC(=O)[O-] ZINC000821202432 600697851 /nfs/dbraw/zinc/69/78/51/600697851.db2.gz JFJFABYYKVDZPE-QMMMGPOBSA-N -1 0 311.338 -0.040 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NC1(C(=O)[O-])CCCCC1 ZINC000063142415 600699625 /nfs/dbraw/zinc/69/96/25/600699625.db2.gz LDHYXWJTSGBTDJ-UHFFFAOYSA-N -1 0 313.397 -0.262 20 0 DBADRM CNC(=O)c1cccc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])c1 ZINC000831015633 600705884 /nfs/dbraw/zinc/70/58/84/600705884.db2.gz ADTPIDJRKCRYGM-QMMMGPOBSA-N -1 0 308.290 -0.208 20 0 DBADRM CN(C)c1cc2c(nn1)CCN(Cn1cc(C(=O)[O-])nn1)C2 ZINC000737373627 600706149 /nfs/dbraw/zinc/70/61/49/600706149.db2.gz DNSNEXJCWUBXNL-UHFFFAOYSA-N -1 0 303.326 -0.152 20 0 DBADRM NC(=O)Cn1cc(C(=O)Nc2cccc(C(=O)[O-])c2O)nn1 ZINC000833082378 600706942 /nfs/dbraw/zinc/70/69/42/600706942.db2.gz AJNGHEDKMFQKGP-UHFFFAOYSA-N -1 0 305.250 -0.581 20 0 DBADRM CCCN(CC(=O)OC)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000037837292 600709382 /nfs/dbraw/zinc/70/93/82/600709382.db2.gz BHIYVOPBGQPGRJ-UHFFFAOYSA-N -1 0 319.339 -0.459 20 0 DBADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cn(CC(N)=O)nn1 ZINC000833026171 600713049 /nfs/dbraw/zinc/71/30/49/600713049.db2.gz XUKUWHHJWYDOIM-UHFFFAOYSA-N -1 0 308.250 -0.280 20 0 DBADRM CN1CCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CC1=O ZINC000737525255 600715271 /nfs/dbraw/zinc/71/52/71/600715271.db2.gz DNDBUSRXJFENEL-GFCCVEGCSA-N -1 0 308.334 -0.102 20 0 DBADRM O=C([O-])[C@H]1CCCN(CN2C(=O)NC3(CCOCC3)C2=O)C1 ZINC000738537570 600716529 /nfs/dbraw/zinc/71/65/29/600716529.db2.gz IUQXMIFLKQBQEJ-JTQLQIEISA-N -1 0 311.338 -0.159 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)NCCCCC(=O)[O-] ZINC000738153342 600721250 /nfs/dbraw/zinc/72/12/50/600721250.db2.gz PXNQKIDUNCIKKO-UHFFFAOYSA-N -1 0 301.386 -0.405 20 0 DBADRM CCN(CC)C(=O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000228791691 600724396 /nfs/dbraw/zinc/72/43/96/600724396.db2.gz TVXIJJGLHQRQTK-UHFFFAOYSA-N -1 0 318.355 -0.886 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCN(C3CC3)CC2)cn1 ZINC000037838976 600726289 /nfs/dbraw/zinc/72/62/89/600726289.db2.gz MPVLDXYAAOWWMT-UHFFFAOYSA-N -1 0 314.367 -0.564 20 0 DBADRM Cc1noc([C@@H](C)NS(=O)(=O)c2cnn(CC(=O)[O-])c2)n1 ZINC000833020588 600732519 /nfs/dbraw/zinc/73/25/19/600732519.db2.gz JAGANIAKXVEYDI-ZCFIWIBFSA-N -1 0 315.311 -0.301 20 0 DBADRM COC(=O)CSCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000831185225 600741042 /nfs/dbraw/zinc/74/10/42/600741042.db2.gz PZTOVEXXBAMFLN-UHFFFAOYSA-N -1 0 322.364 -0.103 20 0 DBADRM CN(CCN1CCCC1=O)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000761293160 600746286 /nfs/dbraw/zinc/74/62/86/600746286.db2.gz OTJNQQPRPCDWOB-UHFFFAOYSA-N -1 0 315.351 -0.044 20 0 DBADRM CCCCOC(=O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000829401067 600752607 /nfs/dbraw/zinc/75/26/07/600752607.db2.gz CDRMXJYHENFSSV-UHFFFAOYSA-N -1 0 319.339 -0.411 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000818638755 600754957 /nfs/dbraw/zinc/75/49/57/600754957.db2.gz CHZQUCPECQALHW-VIFPVBQESA-N -1 0 308.356 -0.836 20 0 DBADRM COC(=O)C(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000035252623 600769252 /nfs/dbraw/zinc/76/92/52/600769252.db2.gz LTZXIPXTTRLPBS-UHFFFAOYSA-N -1 0 304.324 -0.047 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)[C@@H]1CCOC1 ZINC000166011388 600769680 /nfs/dbraw/zinc/76/96/80/600769680.db2.gz DKAJNFAQACVZBA-RKDXNWHRSA-N -1 0 303.340 -0.329 20 0 DBADRM CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000037838927 600771628 /nfs/dbraw/zinc/77/16/28/600771628.db2.gz OTFALVRXNVLISD-VIFPVBQESA-N -1 0 315.351 -0.378 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000833228167 600772411 /nfs/dbraw/zinc/77/24/11/600772411.db2.gz IBRAXTURGSJSLS-LBPRGKRZSA-N -1 0 320.411 -0.165 20 0 DBADRM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000110687049 600780816 /nfs/dbraw/zinc/78/08/16/600780816.db2.gz BSJHIRIEOXJYHY-VIFPVBQESA-N -1 0 315.351 -0.378 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(Oc2ccc(F)nc2)n(C)c1=O ZINC000822604273 607468313 /nfs/dbraw/zinc/46/83/13/607468313.db2.gz BDZOKJAJQWWOHG-UHFFFAOYSA-N -1 0 319.256 -0.410 20 0 DBADRM C[C@H]1CC(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000828149656 600787142 /nfs/dbraw/zinc/78/71/42/600787142.db2.gz LWMPKBNAEKFGEI-QMMMGPOBSA-N -1 0 315.351 -0.378 20 0 DBADRM CC(C)(CC(=O)[O-])NC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000736307866 600788040 /nfs/dbraw/zinc/78/80/40/600788040.db2.gz NDMKXDBRKWRJSQ-UHFFFAOYSA-N -1 0 318.355 -0.710 20 0 DBADRM COCC(=O)N[C@H](C(=O)Nc1n[nH]c(CC(=O)[O-])n1)C(C)C ZINC000737734012 600788455 /nfs/dbraw/zinc/78/84/55/600788455.db2.gz UITRBUPZRZTBPG-JTQLQIEISA-N -1 0 313.314 -0.843 20 0 DBADRM Cc1cc(N2CC[C@H](N3CCO[C@H](C(=O)[O-])C3)C2=O)n(C)n1 ZINC000818829874 600825388 /nfs/dbraw/zinc/82/53/88/600825388.db2.gz QOBPVUDYXPWWJZ-QWRGUYRKSA-N -1 0 308.338 -0.381 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC000826126519 600832186 /nfs/dbraw/zinc/83/21/86/600832186.db2.gz FGCNGHRYVOLANY-UHFFFAOYSA-N -1 0 317.411 -0.398 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CCOC[C@@H]1CCCO1)c2=O ZINC000833277035 600839114 /nfs/dbraw/zinc/83/91/14/600839114.db2.gz ZRKYCOLYMKIOHG-JTQLQIEISA-N -1 0 322.321 -0.127 20 0 DBADRM CCO[C@@H](C)c1noc(CN(C)CC(=O)NCC(=O)[O-])n1 ZINC000829908141 600839451 /nfs/dbraw/zinc/83/94/51/600839451.db2.gz SKEKIWWVTHFVBK-QMMMGPOBSA-N -1 0 300.315 -0.200 20 0 DBADRM C[C@H](NC(=O)CN(CC(=O)[O-])C1CCOCC1)C(=O)N(C)C ZINC000827630751 600853847 /nfs/dbraw/zinc/85/38/47/600853847.db2.gz SOKXXBGDMYVGLF-JTQLQIEISA-N -1 0 315.370 -0.855 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCCOCCS(C)(=O)=O ZINC000736368016 600871848 /nfs/dbraw/zinc/87/18/48/600871848.db2.gz BUOXEZSWUKXTOQ-VIFPVBQESA-N -1 0 310.372 -0.544 20 0 DBADRM NC(=O)CN1CCC(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000320770602 600875686 /nfs/dbraw/zinc/87/56/86/600875686.db2.gz YHZZVENOBHJLGU-QWRGUYRKSA-N -1 0 311.382 -0.057 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000231024219 600882732 /nfs/dbraw/zinc/88/27/32/600882732.db2.gz MBOKFAKJEJBOPR-VHSXEESVSA-N -1 0 306.384 -0.067 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])C1 ZINC000833081689 600888952 /nfs/dbraw/zinc/88/89/52/600888952.db2.gz WGBSZCVHPGKARL-ZCFIWIBFSA-N -1 0 311.319 -0.281 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000827767946 600916112 /nfs/dbraw/zinc/91/61/12/600916112.db2.gz NBVWLMQWNLUXHD-SVRRBLITSA-N -1 0 306.365 -0.072 20 0 DBADRM CC(C)C[C@@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)[O-] ZINC000736404662 600916502 /nfs/dbraw/zinc/91/65/02/600916502.db2.gz OOGYDHHJTGUUHL-JTQLQIEISA-N -1 0 311.338 -0.210 20 0 DBADRM Cc1nc(SCCC(=O)N2CCO[C@@H](C(=O)[O-])C2)n[nH]1 ZINC000819035918 600928998 /nfs/dbraw/zinc/92/89/98/600928998.db2.gz LABUDWSYUKHYSY-MRVPVSSYSA-N -1 0 300.340 -0.093 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000827768179 600965850 /nfs/dbraw/zinc/96/58/50/600965850.db2.gz NXHIEMPVANRYRA-SFYZADRCSA-N -1 0 310.397 -0.657 20 0 DBADRM COC(=O)c1cc(NC(=S)NCC(N)=O)ccc1C(=O)[O-] ZINC000831315846 600973070 /nfs/dbraw/zinc/97/30/70/600973070.db2.gz KJSLSRNMXFMJFY-UHFFFAOYSA-N -1 0 311.319 -0.057 20 0 DBADRM NS(=O)(=O)CCCn1nnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000739192533 600990554 /nfs/dbraw/zinc/99/05/54/600990554.db2.gz KIIRDZBSAPPVNN-UHFFFAOYSA-N -1 0 311.323 -0.283 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000831170904 600996534 /nfs/dbraw/zinc/99/65/34/600996534.db2.gz VDKCEAWBRHPORT-UWVGGRQHSA-N -1 0 302.327 -0.818 20 0 DBADRM C[C@@H](NC(=O)CN1CCSC[C@H]1CC(=O)[O-])C(=O)N(C)C ZINC000827631163 601020196 /nfs/dbraw/zinc/02/01/96/601020196.db2.gz ZAHMJMLNUJNCPV-NXEZZACHSA-N -1 0 317.411 -0.529 20 0 DBADRM NS(=O)(=O)CCN1CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC000833088392 601044172 /nfs/dbraw/zinc/04/41/72/601044172.db2.gz PTTCQECIKJNVLV-UHFFFAOYSA-N -1 0 317.367 -0.616 20 0 DBADRM C/C(=C/CN(C)CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000825730385 601049568 /nfs/dbraw/zinc/04/95/68/601049568.db2.gz WAHXXSHSQXPCSV-BNFOFFDWSA-N -1 0 304.368 -0.748 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000830136861 601058250 /nfs/dbraw/zinc/05/82/50/601058250.db2.gz LNBXPUQXEQOZLE-UHFFFAOYSA-N -1 0 319.343 -0.972 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NCCCN2C(=O)CCC2=O)n1 ZINC000833275283 601059444 /nfs/dbraw/zinc/05/94/44/601059444.db2.gz CKSCOTVPAVTPGJ-UHFFFAOYSA-N -1 0 323.309 -0.372 20 0 DBADRM C[C@@H]1CN(C(=O)Nc2ccn(CC(=O)[O-])n2)CCS1(=O)=O ZINC000828386138 601061013 /nfs/dbraw/zinc/06/10/13/601061013.db2.gz LVORDSJWXSFANR-MRVPVSSYSA-N -1 0 316.339 -0.382 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000827576568 601063958 /nfs/dbraw/zinc/06/39/58/601063958.db2.gz YYAFOCXKLKRSIK-QMMMGPOBSA-N -1 0 318.355 -0.136 20 0 DBADRM COCC[C@@](C)(O)CNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000831676106 601067599 /nfs/dbraw/zinc/06/75/99/601067599.db2.gz IQGCLEMPPZEBQS-GFCCVEGCSA-N -1 0 300.315 -0.123 20 0 DBADRM C[C@H](OC(=O)[C@@]12CCC(=O)N1CCS2)C(=O)NCC(=O)[O-] ZINC000827816545 601074630 /nfs/dbraw/zinc/07/46/30/601074630.db2.gz ADMOFTKRBYJCJF-MADCSZMMSA-N -1 0 316.335 -0.816 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CN1CCC(=O)NC1=O)c1ccccc1 ZINC000738458820 601079716 /nfs/dbraw/zinc/07/97/16/601079716.db2.gz CINVJQYCGJQRPE-LLVKDONJSA-N -1 0 319.317 -0.087 20 0 DBADRM O=C(CC[C@H]1NC(=O)NC1=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000738457128 601080766 /nfs/dbraw/zinc/08/07/66/601080766.db2.gz LKYBHPQZVOENME-GHMZBOCLSA-N -1 0 319.317 -0.041 20 0 DBADRM C[C@@H](OC(=O)C[C@@](C)(O)C(F)(F)F)C(=O)NCC(=O)[O-] ZINC000827824945 601097881 /nfs/dbraw/zinc/09/78/81/601097881.db2.gz BQEANLWRGPAMEC-MLUIRONXSA-N -1 0 301.217 -0.178 20 0 DBADRM Cn1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)c1=O ZINC000833058867 601099307 /nfs/dbraw/zinc/09/93/07/601099307.db2.gz IRBRLLLRCRTFHI-ZJUUUORDSA-N -1 0 306.322 -0.850 20 0 DBADRM C[C@H](Cn1cncn1)NS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000827597102 601131546 /nfs/dbraw/zinc/13/15/46/601131546.db2.gz LNWASANOQRSWME-SECBINFHSA-N -1 0 302.356 -0.159 20 0 DBADRM C[C@@H](Cn1cncn1)NS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000827597103 601131661 /nfs/dbraw/zinc/13/16/61/601131661.db2.gz LNWASANOQRSWME-VIFPVBQESA-N -1 0 302.356 -0.159 20 0 DBADRM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000833360335 601133809 /nfs/dbraw/zinc/13/38/09/601133809.db2.gz FVVWJBBJRYLFIX-VXGBXAGGSA-N -1 0 321.308 -0.406 20 0 DBADRM O=C([O-])CSCCNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000833262829 601139747 /nfs/dbraw/zinc/13/97/47/601139747.db2.gz WUABLLHIQCLSKX-MRVPVSSYSA-N -1 0 301.368 -0.133 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCC(NC(N)=O)CC1)C(=O)[O-] ZINC000826786520 601154277 /nfs/dbraw/zinc/15/42/77/601154277.db2.gz OLZGHQVBJXAYHQ-LLVKDONJSA-N -1 0 314.386 -0.265 20 0 DBADRM C[C@@H]1CN=C(N2CCN(CC(=O)NCCC(=O)[O-])CC2)S1 ZINC000828500468 601155233 /nfs/dbraw/zinc/15/52/33/601155233.db2.gz SDFALURIUMQPBL-SNVBAGLBSA-N -1 0 314.411 -0.314 20 0 DBADRM COc1ncc(C)cc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000818639063 601163887 /nfs/dbraw/zinc/16/38/87/601163887.db2.gz ZVMPKLCTIOKFDP-SNVBAGLBSA-N -1 0 323.305 -0.351 20 0 DBADRM COC(=O)[C@@H]1CCC[C@@H](C(=O)OCC(=O)NCC(=O)[O-])C1 ZINC000820660911 601191076 /nfs/dbraw/zinc/19/10/76/601191076.db2.gz NWASYOKFIWOWOY-RKDXNWHRSA-N -1 0 301.295 -0.290 20 0 DBADRM CC(C)(CNC(=O)Nc1ccn(CC(=O)[O-])n1)S(C)(=O)=O ZINC000826591044 601192998 /nfs/dbraw/zinc/19/29/98/601192998.db2.gz VAYWCYZIKQDPNB-UHFFFAOYSA-N -1 0 318.355 -0.088 20 0 DBADRM CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000826727392 601198315 /nfs/dbraw/zinc/19/83/15/601198315.db2.gz NXHNGAAGFYISPB-LLVKDONJSA-N -1 0 309.326 -0.044 20 0 DBADRM CCN1C(=S)N=NC1CNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000830412516 601199562 /nfs/dbraw/zinc/19/95/62/601199562.db2.gz UCYNCYUFJDYBEJ-UHFFFAOYSA-N -1 0 311.327 -0.807 20 0 DBADRM Cc1ccccc1S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000088715456 601208399 /nfs/dbraw/zinc/20/83/99/601208399.db2.gz MFLNDFHBHZBUCW-SNVBAGLBSA-N -1 0 312.347 -0.041 20 0 DBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@H](C)C(N)=O ZINC000831930311 601211811 /nfs/dbraw/zinc/21/18/11/601211811.db2.gz XDMQGJBFRULYOS-SCSAIBSYSA-N -1 0 308.337 -0.393 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000747596711 601212092 /nfs/dbraw/zinc/21/20/92/601212092.db2.gz RAHWFAWMMZGAFQ-AATRIKPKSA-N -1 0 316.310 -0.083 20 0 DBADRM CC(=O)N1C[C@@H](C(=O)N[C@H](CO)C(=O)[O-])Oc2ccccc21 ZINC000825828877 601215812 /nfs/dbraw/zinc/21/58/12/601215812.db2.gz PSKUXXWCLARKPN-SKDRFNHKSA-N -1 0 308.290 -0.638 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC(N)=O ZINC000036747197 601218474 /nfs/dbraw/zinc/21/84/74/601218474.db2.gz FVGXOIMRVWPSCM-UHFFFAOYSA-N -1 0 302.308 -0.453 20 0 DBADRM Cc1oc(S(=O)(=O)N2CCNC(=O)CC2)cc1C(=O)[O-] ZINC000833028635 601221281 /nfs/dbraw/zinc/22/12/81/601221281.db2.gz XWFJERFKKCUFDI-UHFFFAOYSA-N -1 0 302.308 -0.203 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)Cc1cc(C)no1 ZINC000831176152 601235149 /nfs/dbraw/zinc/23/51/49/601235149.db2.gz VOVUMTDKWGZLMR-UHFFFAOYSA-N -1 0 306.296 -0.628 20 0 DBADRM NC(=O)CN1C[C@H](OC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1=O ZINC000833080853 601240110 /nfs/dbraw/zinc/24/01/10/601240110.db2.gz FCFJCOBVCXPQSJ-OPRDCNLKSA-N -1 0 312.322 -0.493 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)CCSCC(=O)[O-])C1=O ZINC000826956461 601244463 /nfs/dbraw/zinc/24/44/63/601244463.db2.gz QILUHIADSAOMIY-QMMMGPOBSA-N -1 0 302.352 -0.154 20 0 DBADRM COc1ncccc1CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000088769102 601254207 /nfs/dbraw/zinc/25/42/07/601254207.db2.gz JANANQZMYVLMFM-UHFFFAOYSA-N -1 0 303.340 -0.169 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)[C@@H]2CCOC2)CC1 ZINC000827384930 601257509 /nfs/dbraw/zinc/25/75/09/601257509.db2.gz AHLUWBYHDCDBFQ-WDEREUQCSA-N -1 0 306.384 -0.414 20 0 DBADRM COC(=O)N1CCC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000831204289 601258803 /nfs/dbraw/zinc/25/88/03/601258803.db2.gz QRJTZNLNICZVJG-VIFPVBQESA-N -1 0 323.371 -0.542 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)N(C)C2CC2)CC1 ZINC000827386814 601260039 /nfs/dbraw/zinc/26/00/39/601260039.db2.gz YBZMXHGDWOPYDZ-SNVBAGLBSA-N -1 0 305.400 -0.194 20 0 DBADRM COC(=O)CCN(C(C)C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000831155400 601261714 /nfs/dbraw/zinc/26/17/14/601261714.db2.gz LAPFXMFBBDBEML-UHFFFAOYSA-N -1 0 310.372 -0.089 20 0 DBADRM NS(=O)(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833087771 601263154 /nfs/dbraw/zinc/26/31/54/601263154.db2.gz GQHBAHKDDPVQLK-ZCFIWIBFSA-N -1 0 305.337 -0.655 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)N(C)C1CCOCC1 ZINC000829963559 601267386 /nfs/dbraw/zinc/26/73/86/601267386.db2.gz NCKIUSYQNRVDAH-LBPRGKRZSA-N -1 0 324.399 -0.189 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)CC ZINC000262402595 601268329 /nfs/dbraw/zinc/26/83/29/601268329.db2.gz KFIUQUIVBRXXJH-UHFFFAOYSA-N -1 0 316.401 -0.948 20 0 DBADRM CN(CC(=O)NCc1ccco1)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000830676548 601272572 /nfs/dbraw/zinc/27/25/72/601272572.db2.gz PMTZEVDTVLEJIB-UHFFFAOYSA-N -1 0 321.293 -0.656 20 0 DBADRM CC(C)[C@@H](CNS(=O)(=O)C[C@@H](C)C(=O)[O-])N1CCOCC1 ZINC000827557308 601273890 /nfs/dbraw/zinc/27/38/90/601273890.db2.gz CRRBMJUITCKYEB-VXGBXAGGSA-N -1 0 322.427 -0.017 20 0 DBADRM O=C([O-])c1cn(CC(=O)Nc2ccc(-n3cncn3)nc2)nn1 ZINC000833121464 601274956 /nfs/dbraw/zinc/27/49/56/601274956.db2.gz UYIRYVMVIIVONH-UHFFFAOYSA-N -1 0 314.265 -0.409 20 0 DBADRM Cn1ncc2cc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])cnc21 ZINC000833061236 601275274 /nfs/dbraw/zinc/27/52/74/601275274.db2.gz QPLHQAKPJHHGAZ-JTQLQIEISA-N -1 0 317.305 -0.616 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCC(=O)N2CCCCC2)nn1 ZINC000317491910 601276391 /nfs/dbraw/zinc/27/63/91/601276391.db2.gz BXOCXXODTMDLQH-UHFFFAOYSA-N -1 0 309.326 -0.505 20 0 DBADRM NC(=O)Cn1cc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)nn1 ZINC000833082828 601276640 /nfs/dbraw/zinc/27/66/40/601276640.db2.gz HRYYQWDCYKSYHO-UHFFFAOYSA-N -1 0 315.289 -0.336 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H]2C(=O)NC2CC2)nn1 ZINC000833339228 601276870 /nfs/dbraw/zinc/27/68/70/601276870.db2.gz BRVYXNIAXWYECB-SNVBAGLBSA-N -1 0 307.310 -0.754 20 0 DBADRM NC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833078140 601279120 /nfs/dbraw/zinc/27/91/20/601279120.db2.gz ISDWDCYLSSMBAX-SNVBAGLBSA-N -1 0 317.305 -0.811 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCc2nccn2C(F)F)nn1 ZINC000833120754 601279161 /nfs/dbraw/zinc/27/91/61/601279161.db2.gz CRRKHGRCLAXFCY-UHFFFAOYSA-N -1 0 300.225 -0.116 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H](C3OCCO3)C2)nn1 ZINC000833340804 601281072 /nfs/dbraw/zinc/28/10/72/601281072.db2.gz WZGRNPFCBHUAJI-SECBINFHSA-N -1 0 310.310 -0.412 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H](C3OCCO3)C2)nn1 ZINC000833340807 601281076 /nfs/dbraw/zinc/28/10/76/601281076.db2.gz WZGRNPFCBHUAJI-VIFPVBQESA-N -1 0 310.310 -0.412 20 0 DBADRM CC1(C)COCCN1CCNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000828077951 601281706 /nfs/dbraw/zinc/28/17/06/601281706.db2.gz FJFLWJMKZBELOJ-UHFFFAOYSA-N -1 0 311.342 -0.797 20 0 DBADRM O=C([O-])c1cc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)ccn1 ZINC000833355327 601282072 /nfs/dbraw/zinc/28/20/72/601282072.db2.gz LKQFLLJCAGYZDL-JTQLQIEISA-N -1 0 303.274 -0.201 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H](n3cncn3)C2)nn1 ZINC000833340798 601282773 /nfs/dbraw/zinc/28/27/73/601282773.db2.gz WRNDXRREFLFYPF-SECBINFHSA-N -1 0 305.298 -0.569 20 0 DBADRM CN(CCNC(=O)Cn1cc(C(=O)[O-])nn1)CC(F)(F)F ZINC000830785404 601285493 /nfs/dbraw/zinc/28/54/93/601285493.db2.gz RUYMVHPTQICHDN-UHFFFAOYSA-N -1 0 309.248 -0.413 20 0 DBADRM Cc1cc(C)n(C2CN(C(=O)Cn3cc(C(=O)[O-])nn3)C2)n1 ZINC000832880120 601285617 /nfs/dbraw/zinc/28/56/17/601285617.db2.gz CMDAZIXBAMNISC-UHFFFAOYSA-N -1 0 304.310 -0.127 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)n[nH]1 ZINC000833269129 601285786 /nfs/dbraw/zinc/28/57/86/601285786.db2.gz BUJCZYIYYISZRF-LURJTMIESA-N -1 0 319.281 -0.854 20 0 DBADRM C[C@](NC(=O)Cn1cnc2c1ncnc2N)(C(=O)[O-])C1CC1 ZINC000827645890 601288124 /nfs/dbraw/zinc/28/81/24/601288124.db2.gz MJZTXDAGKDJLGE-CYBMUJFWSA-N -1 0 304.310 -0.222 20 0 DBADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN1C[C@@H](O)[C@@H](O)C1 ZINC000833194676 601288300 /nfs/dbraw/zinc/28/83/00/601288300.db2.gz MAJJZFMCFRWJDE-MCIONIFRSA-N -1 0 320.345 -0.938 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CCCN1C(=O)CCC1=O ZINC000831549288 601291616 /nfs/dbraw/zinc/29/16/16/601291616.db2.gz SGIHRCYQDAVUPI-CQSZACIVSA-N -1 0 314.338 -0.088 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@](C)(COC)CC(=O)[O-])CC1=O ZINC000831740525 601294920 /nfs/dbraw/zinc/29/49/20/601294920.db2.gz HBTPFOWFHUMWDM-HZMBPMFUSA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000831545588 601299139 /nfs/dbraw/zinc/29/91/39/601299139.db2.gz ZUZSCENKUNQACS-ZANVPECISA-N -1 0 301.343 -0.227 20 0 DBADRM COC[C@]1(C)CC(=O)N(CN(CC(=O)[O-])CC(=O)OC)C1 ZINC000831660877 601300177 /nfs/dbraw/zinc/30/01/77/601300177.db2.gz SBFNTLOBCWQUBI-CYBMUJFWSA-N -1 0 302.327 -0.612 20 0 DBADRM CNS(=O)(=O)CC(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000831023983 601307859 /nfs/dbraw/zinc/30/78/59/601307859.db2.gz AAEQYKZBYRIMNN-UHFFFAOYSA-N -1 0 316.335 -0.441 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000830556665 601312775 /nfs/dbraw/zinc/31/27/75/601312775.db2.gz IFUFCPCWGQZFTF-VIFPVBQESA-N -1 0 324.341 -0.305 20 0 DBADRM O=C([O-])CCCNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000819434460 601315534 /nfs/dbraw/zinc/31/55/34/601315534.db2.gz KBRCIMFWPHEIFQ-LLVKDONJSA-N -1 0 313.354 -0.070 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)NCCC(=O)[O-])cn1 ZINC000831753823 601315871 /nfs/dbraw/zinc/31/58/71/601315871.db2.gz YKVUZNWLRLBCFA-UHFFFAOYSA-N -1 0 313.314 -0.758 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC000830991581 601332193 /nfs/dbraw/zinc/33/21/93/601332193.db2.gz FCSDXUUNGYOEFP-UHFFFAOYSA-N -1 0 306.322 -0.716 20 0 DBADRM CNS(=O)(=O)CC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000831025535 601340814 /nfs/dbraw/zinc/34/08/14/601340814.db2.gz RQVWQLNEXCTOAS-JTQLQIEISA-N -1 0 314.319 -0.586 20 0 DBADRM C[C@H](OC(=O)c1cnc2c(cnn2C)c1)C(=O)NCC(=O)[O-] ZINC000827867990 601341071 /nfs/dbraw/zinc/34/10/71/601341071.db2.gz SSMGLNFMNVNMIX-ZETCQYMHSA-N -1 0 306.278 -0.286 20 0 DBADRM CNS(=O)(=O)CC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000831025621 601342229 /nfs/dbraw/zinc/34/22/29/601342229.db2.gz VCQPUYIWXGQQIY-JTQLQIEISA-N -1 0 300.336 -0.480 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1ccnc1S(C)(=O)=O)C(=O)[O-] ZINC000828728107 601347342 /nfs/dbraw/zinc/34/73/42/601347342.db2.gz HKVDTYYUGHZSJE-WPRPVWTQSA-N -1 0 317.367 -0.098 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)cccc1C(=O)[O-] ZINC000832855732 601350181 /nfs/dbraw/zinc/35/01/81/601350181.db2.gz RCFQAJYEIZFATB-VIFPVBQESA-N -1 0 319.317 -0.021 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N2CC[C@@H](CO)C2)cc1 ZINC000833254051 601352150 /nfs/dbraw/zinc/35/21/50/601352150.db2.gz GFBFVPOAWSXEDP-SNVBAGLBSA-N -1 0 322.317 -0.071 20 0 DBADRM Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000819008738 601361147 /nfs/dbraw/zinc/36/11/47/601361147.db2.gz AETBNWLQWXGMNT-ZJUUUORDSA-N -1 0 309.326 -0.084 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)CC1=O ZINC000830946424 601363267 /nfs/dbraw/zinc/36/32/67/601363267.db2.gz MXJGKQRBELXHKU-UHFFFAOYSA-N -1 0 323.280 -0.237 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1=O ZINC000830946302 601363313 /nfs/dbraw/zinc/36/33/13/601363313.db2.gz JIGGTNXXKUZEAQ-UHFFFAOYSA-N -1 0 319.317 -0.447 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000827396373 601365855 /nfs/dbraw/zinc/36/58/55/601365855.db2.gz DJFCNYMNSZRFNV-MRVPVSSYSA-N -1 0 322.321 -0.227 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000827396383 601365912 /nfs/dbraw/zinc/36/59/12/601365912.db2.gz DJFCNYMNSZRFNV-QMMMGPOBSA-N -1 0 322.321 -0.227 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)N[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000091295426 601366142 /nfs/dbraw/zinc/36/61/42/601366142.db2.gz AIBAUEDDTCHWJL-DTWKUNHWSA-N -1 0 306.340 -0.941 20 0 DBADRM COC(=O)CCCNC(=S)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000831152608 601368054 /nfs/dbraw/zinc/36/80/54/601368054.db2.gz ZLEBQLSDMDMSIA-VIFPVBQESA-N -1 0 304.368 -0.010 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(CN2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000830631411 601371418 /nfs/dbraw/zinc/37/14/18/601371418.db2.gz HEHUTGHXOKBPRU-LLVKDONJSA-N -1 0 320.346 -0.411 20 0 DBADRM CC(C)N1C(=O)C(=O)N(CN2CC[C@](F)(C(=O)[O-])C2)C1=O ZINC000826956637 601371996 /nfs/dbraw/zinc/37/19/96/601371996.db2.gz WSSFUMJUMZLCMM-GFCCVEGCSA-N -1 0 301.274 -0.358 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CCO[C@@H](CC(=O)[O-])C2)C1=O ZINC000831660747 601374916 /nfs/dbraw/zinc/37/49/16/601374916.db2.gz QOLPMVWSQJFPHT-TVQRCGJNSA-N -1 0 315.326 -0.924 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)c1ccoc1C ZINC000831066469 601383985 /nfs/dbraw/zinc/38/39/85/601383985.db2.gz IQGKLNNILBVRQG-SECBINFHSA-N -1 0 312.278 -0.550 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C1CC1 ZINC000831078452 601389689 /nfs/dbraw/zinc/38/96/89/601389689.db2.gz LRPMBRLNTGIDJO-SNVBAGLBSA-N -1 0 316.335 -0.047 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)C[C@H](C)O1 ZINC000828473518 601389819 /nfs/dbraw/zinc/38/98/19/601389819.db2.gz XBFHCSVWVSATGP-NGZCFLSTSA-N -1 0 310.347 -0.161 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000833086423 601391923 /nfs/dbraw/zinc/39/19/23/601391923.db2.gz LHAUKAZOESNBCP-LBPRGKRZSA-N -1 0 316.310 -0.027 20 0 DBADRM CN(CC(=O)N1CCCC1)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000315928758 601393131 /nfs/dbraw/zinc/39/31/31/601393131.db2.gz PGOWXXQEJYFLPB-UHFFFAOYSA-N -1 0 311.382 -0.136 20 0 DBADRM CCOC(=O)[C@H](CC1CC1)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000829823572 601395765 /nfs/dbraw/zinc/39/57/65/601395765.db2.gz XWQGMLYDLYGRAP-JTQLQIEISA-N -1 0 322.383 -0.041 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000231021089 601415298 /nfs/dbraw/zinc/41/52/98/601415298.db2.gz HCXRQFLGYZWOMV-UHFFFAOYSA-N -1 0 321.399 -0.130 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)CN2CCO[C@H](CO)C2)n1 ZINC000833270011 601426269 /nfs/dbraw/zinc/42/62/69/601426269.db2.gz XSQGYRASEBMIPN-VIFPVBQESA-N -1 0 315.351 -0.598 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)CN2CCO[C@@H](CO)C2)n1 ZINC000833270008 601426569 /nfs/dbraw/zinc/42/65/69/601426569.db2.gz XSQGYRASEBMIPN-SECBINFHSA-N -1 0 315.351 -0.598 20 0 DBADRM O=C([O-])c1ccc(OC[C@@H](O)CN2CCO[C@H](CO)C2)cc1 ZINC000833322174 601427175 /nfs/dbraw/zinc/42/71/75/601427175.db2.gz YAUQFLAVCINISV-JSGCOSHPSA-N -1 0 311.334 -0.182 20 0 DBADRM Cc1cc(N2CCN(C3CC3)C(=O)C2)n2nc(C(=O)[O-])nc2n1 ZINC000832891101 601435083 /nfs/dbraw/zinc/43/50/83/601435083.db2.gz LEHRQMLDPALYPW-UHFFFAOYSA-N -1 0 316.321 -0.058 20 0 DBADRM COCCCS(=O)(=O)NCCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000831705215 601435682 /nfs/dbraw/zinc/43/56/82/601435682.db2.gz CFROAYUSVHUIJB-NSHDSACASA-N -1 0 312.363 -0.559 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@@](F)(C(=O)[O-])C2)CC1 ZINC000825841070 601437552 /nfs/dbraw/zinc/43/75/52/601437552.db2.gz OSTKSKJDICKOOI-YGRLFVJLSA-N -1 0 315.345 -0.436 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CC[C@](F)(C(=O)[O-])C1 ZINC000831643885 601440422 /nfs/dbraw/zinc/44/04/22/601440422.db2.gz RIKLFKPKYUBQAI-PRHODGIISA-N -1 0 305.306 -0.654 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)CCCF ZINC000833248490 601440798 /nfs/dbraw/zinc/44/07/98/601440798.db2.gz MSTCFJWIDFZNAX-UHFFFAOYSA-N -1 0 312.363 -0.605 20 0 DBADRM Cn1cc(S(=O)(=O)NC2(CC(=O)[O-])CCC2)cc1C(N)=O ZINC000094291144 601443782 /nfs/dbraw/zinc/44/37/82/601443782.db2.gz KXMINCQQLBUDDJ-UHFFFAOYSA-N -1 0 315.351 -0.200 20 0 DBADRM COC(=O)CC1(NS(=O)(=O)N(C)CCC(=O)[O-])CCC1 ZINC000831138960 601444150 /nfs/dbraw/zinc/44/41/50/601444150.db2.gz RDOFKGVGFUMYOE-UHFFFAOYSA-N -1 0 308.356 -0.287 20 0 DBADRM O=C([O-])[C@]1(F)CCN(CC(=O)NCC(=O)N2CCCC2)C1 ZINC000833107565 601448533 /nfs/dbraw/zinc/44/85/33/601448533.db2.gz WOCZTJZSGBFSIO-ZDUSSCGKSA-N -1 0 301.318 -0.776 20 0 DBADRM O=C([O-])C[C@H]1CN(CCn2nc3ccccn3c2=O)CCO1 ZINC000387368091 601459101 /nfs/dbraw/zinc/45/91/01/601459101.db2.gz ACGTZEXAWNHDSB-NSHDSACASA-N -1 0 306.322 -0.329 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818368589 601467380 /nfs/dbraw/zinc/46/73/80/601467380.db2.gz GCBAHVNKEUMYMN-UHFFFAOYSA-N -1 0 307.306 -0.543 20 0 DBADRM CCN1CCN(CC(=O)N[C@@](C)(CC)CC(=O)[O-])C(=O)C1=O ZINC000829776305 601467635 /nfs/dbraw/zinc/46/76/35/601467635.db2.gz LYFSYFHOGRICPL-AWEZNQCLSA-N -1 0 313.354 -0.563 20 0 DBADRM CN1CCC[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1=O ZINC000704305854 601478404 /nfs/dbraw/zinc/47/84/04/601478404.db2.gz HEEYEQWUWZZFAU-MRVPVSSYSA-N -1 0 301.324 -0.388 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)o1 ZINC000833324346 601478595 /nfs/dbraw/zinc/47/85/95/601478595.db2.gz FIYRCWDZVKSJLY-UHFFFAOYSA-N -1 0 314.319 -0.027 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1=O ZINC000818478153 601488757 /nfs/dbraw/zinc/48/87/57/601488757.db2.gz DLHZCYDZONXJGV-SNVBAGLBSA-N -1 0 319.317 -0.401 20 0 DBADRM COc1ccncc1NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000832637515 601491049 /nfs/dbraw/zinc/49/10/49/601491049.db2.gz RYDYYNZUTYQZFD-VIFPVBQESA-N -1 0 323.305 -0.269 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000833202726 601505002 /nfs/dbraw/zinc/50/50/02/601505002.db2.gz PBCXTUQJHQJEPB-QMMMGPOBSA-N -1 0 311.381 -0.652 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N[C@H]2CCCCNC2=O)CC1 ZINC000833202897 601508048 /nfs/dbraw/zinc/50/80/48/601508048.db2.gz SJHQBEJRNJEEKG-VIFPVBQESA-N -1 0 304.368 -0.171 20 0 DBADRM CCS(=O)(=O)CCNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830126609 601513632 /nfs/dbraw/zinc/51/36/32/601513632.db2.gz UOFWVKMQSLFMIT-UHFFFAOYSA-N -1 0 313.397 -0.405 20 0 DBADRM CN(CCS(C)(=O)=O)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830795002 601513738 /nfs/dbraw/zinc/51/37/38/601513738.db2.gz DVTBVJFUKPMSJR-UHFFFAOYSA-N -1 0 313.397 -0.453 20 0 DBADRM CN1CCN(C)[C@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000830949713 601514415 /nfs/dbraw/zinc/51/44/15/601514415.db2.gz FYVOQXHYFFBVDC-LLVKDONJSA-N -1 0 319.427 -0.594 20 0 DBADRM CCN1CCO[C@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000829785773 601516694 /nfs/dbraw/zinc/51/66/94/601516694.db2.gz FAEDAKWPKVGMKU-LLVKDONJSA-N -1 0 320.411 -0.119 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@H](CC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000767077356 601520340 /nfs/dbraw/zinc/52/03/40/601520340.db2.gz PGLVJSGVPHDEGR-ISALQUGTSA-N -1 0 321.333 -0.533 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000137175234 601526451 /nfs/dbraw/zinc/52/64/51/601526451.db2.gz NPXVHGZYQXDLKR-UWVGGRQHSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@H]1CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@@H]1C(=O)[O-] ZINC000828466012 601529671 /nfs/dbraw/zinc/52/96/71/601529671.db2.gz ZZBPUEWYCDHDFW-YUMQZZPRSA-N -1 0 321.337 -0.887 20 0 DBADRM CC(C)C[C@@H](NC(=O)Cn1nnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000826793004 601546360 /nfs/dbraw/zinc/54/63/60/601546360.db2.gz JVJRLXIMLATVSI-SECBINFHSA-N -1 0 322.325 -0.860 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000819121068 601555461 /nfs/dbraw/zinc/55/54/61/601555461.db2.gz WLXYCDPPHYSNKB-JTQLQIEISA-N -1 0 308.294 -0.825 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000818013704 601556764 /nfs/dbraw/zinc/55/67/64/601556764.db2.gz KKNPCGORUWPAGE-OUAUKWLOSA-N -1 0 302.327 -0.325 20 0 DBADRM O=C([O-])[C@]1(F)CCN(CC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000833107999 601556773 /nfs/dbraw/zinc/55/67/73/601556773.db2.gz ZHWGXGCXGFWFGB-ZDUSSCGKSA-N -1 0 316.329 -0.150 20 0 DBADRM O=C(CN1CCOC[C@@H]1C(=O)[O-])NCC(=O)c1cccs1 ZINC000833108316 601559335 /nfs/dbraw/zinc/55/93/35/601559335.db2.gz NVUWYTPRRMABKH-SECBINFHSA-N -1 0 312.347 -0.168 20 0 DBADRM Cc1oc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1S(N)(=O)=O ZINC000833024678 601559504 /nfs/dbraw/zinc/55/95/04/601559504.db2.gz OXWGTGUQRMKSDL-NSHDSACASA-N -1 0 318.307 -0.791 20 0 DBADRM CCOC(=O)CCCNC(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC000088381267 601559798 /nfs/dbraw/zinc/55/97/98/601559798.db2.gz LGGNMBGHQNGROP-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM COC(=O)[C@H]1COCCN1Cc1noc(CCCC(=O)[O-])n1 ZINC000831118494 601562793 /nfs/dbraw/zinc/56/27/93/601562793.db2.gz AOOATQGYSAJJMG-SECBINFHSA-N -1 0 313.310 -0.149 20 0 DBADRM CN(CC(=O)N[C@@H](CC(=O)[O-])C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000830669893 601563473 /nfs/dbraw/zinc/56/34/73/601563473.db2.gz QXUHYHKFBOBJIM-MNOVXSKESA-N -1 0 318.395 -0.525 20 0 DBADRM Cc1nc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)nn1-c1nc[nH]n1 ZINC000832994744 601563856 /nfs/dbraw/zinc/56/38/56/601563856.db2.gz LZMYLMLRIMEXGP-QMMMGPOBSA-N -1 0 305.298 -0.323 20 0 DBADRM CN(C)C(=O)CN(C)S(=O)(=O)c1csnc1C(=O)[O-] ZINC000830552030 601567002 /nfs/dbraw/zinc/56/70/02/601567002.db2.gz SVMOWDUWWRHCEJ-UHFFFAOYSA-N -1 0 307.353 -0.450 20 0 DBADRM O=C([O-])CNC(=O)CN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000821530846 601568796 /nfs/dbraw/zinc/56/87/96/601568796.db2.gz MYJQMNDNXRSZDC-UWVGGRQHSA-N -1 0 304.368 -0.771 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000776575162 601574014 /nfs/dbraw/zinc/57/40/14/601574014.db2.gz ZGEDYNZQSCPHGH-SECBINFHSA-N -1 0 313.397 -0.406 20 0 DBADRM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC000829074795 601576585 /nfs/dbraw/zinc/57/65/85/601576585.db2.gz JIGLDWTVSSUSIV-LURJTMIESA-N -1 0 319.364 -0.260 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)C[C@@H]1C(=O)[O-] ZINC000111253039 601589723 /nfs/dbraw/zinc/58/97/23/601589723.db2.gz GWQIKQRFYWTMDO-CBAPKCEASA-N -1 0 315.351 -0.535 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](C(=O)[O-])C2CC2)C1=O ZINC000828082333 601593208 /nfs/dbraw/zinc/59/32/08/601593208.db2.gz NVAJAXVOEQSKFR-YGRLFVJLSA-N -1 0 309.322 -0.314 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](CN2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000225317510 601593647 /nfs/dbraw/zinc/59/36/47/601593647.db2.gz ZTKUQHFGZIMPBR-GHMZBOCLSA-N -1 0 306.384 -0.557 20 0 DBADRM CN(CC(=O)N[C@H](C(=O)[O-])C1CC1)c1ncnc2nc[nH]c21 ZINC000830670145 601597164 /nfs/dbraw/zinc/59/71/64/601597164.db2.gz XPOMOXXYQUXCET-VIFPVBQESA-N -1 0 304.310 -0.232 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)CCSCC(=O)[O-] ZINC000830781369 601604498 /nfs/dbraw/zinc/60/44/98/601604498.db2.gz ZOFUQZGUNGOGKI-UHFFFAOYSA-N -1 0 324.424 -0.312 20 0 DBADRM O=C([O-])N1CCC(Nc2ccc(C(=O)NCCO)nn2)CC1 ZINC000833139486 601612052 /nfs/dbraw/zinc/61/20/52/601612052.db2.gz BCZRMYGDFRSIJT-UHFFFAOYSA-N -1 0 309.326 -0.247 20 0 DBADRM COCCCn1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC000818537150 601628758 /nfs/dbraw/zinc/62/87/58/601628758.db2.gz VGMGPVCBHYFSBQ-SNVBAGLBSA-N -1 0 324.337 -0.209 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000262155622 601630600 /nfs/dbraw/zinc/63/06/00/601630600.db2.gz OHHOPVBYDKCVLO-LLVKDONJSA-N -1 0 322.383 -0.690 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C[C@@]2(CCOC2)CC1=O ZINC000831170992 601630620 /nfs/dbraw/zinc/63/06/20/601630620.db2.gz XACFPXBPNHQPMQ-CYBMUJFWSA-N -1 0 300.311 -0.858 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000833086784 601666233 /nfs/dbraw/zinc/66/62/33/601666233.db2.gz SQDKQGOQWSAUMB-GFCCVEGCSA-N -1 0 322.317 -0.134 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)CCSCC(=O)[O-])CCO1 ZINC000831143877 601667788 /nfs/dbraw/zinc/66/77/88/601667788.db2.gz IPQVWUBPMPBWRZ-SECBINFHSA-N -1 0 305.352 -0.015 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000362806318 601668034 /nfs/dbraw/zinc/66/80/34/601668034.db2.gz PRIMYJPXRRQODJ-GFCCVEGCSA-N -1 0 322.317 -0.134 20 0 DBADRM COCCN1C[C@H](C(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1=O ZINC000316999232 601670846 /nfs/dbraw/zinc/67/08/46/601670846.db2.gz QNQHVADQRABUSE-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)CCN2CCCS2(=O)=O)CCO1 ZINC000262423145 601671445 /nfs/dbraw/zinc/67/14/45/601671445.db2.gz GHWMAXZPWMTMDX-JTQLQIEISA-N -1 0 320.367 -0.886 20 0 DBADRM C[C@]1(C(=O)N(CCN2CCOCC2)CC(=O)[O-])CCCO1 ZINC000827965821 601679218 /nfs/dbraw/zinc/67/92/18/601679218.db2.gz IVQUMQGOYDSMMC-CQSZACIVSA-N -1 0 300.355 -0.199 20 0 DBADRM C[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828341023 601695336 /nfs/dbraw/zinc/69/53/36/601695336.db2.gz MRBVARLMDPDBPS-UYNUJQBQSA-N -1 0 323.349 -0.114 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1 ZINC000833125126 601703504 /nfs/dbraw/zinc/70/35/04/601703504.db2.gz HMOMEBKDOBNKBN-JTQLQIEISA-N -1 0 303.274 -0.191 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000826717908 601705715 /nfs/dbraw/zinc/70/57/15/601705715.db2.gz XFYHSKHXZLBCNM-BBBLOLIVSA-N -1 0 306.384 -0.261 20 0 DBADRM COC(=O)C1(CNC(=O)Cn2cc(C(=O)[O-])nn2)CCCC1 ZINC000831090143 601707939 /nfs/dbraw/zinc/70/79/39/601707939.db2.gz WRKSHCFPULMLTR-UHFFFAOYSA-N -1 0 310.310 -0.174 20 0 DBADRM C[C@@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)C[C@@H]1C(=O)[O-] ZINC000828342069 601709730 /nfs/dbraw/zinc/70/97/30/601709730.db2.gz WZOUGQKYMZNWBV-BDAKNGLRSA-N -1 0 318.337 -0.032 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000111252307 601714287 /nfs/dbraw/zinc/71/42/87/601714287.db2.gz XYCQILCLHNCRDR-UTLUCORTSA-N -1 0 304.368 -0.411 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CC[C@@](F)(C(=O)[O-])C2)nn1 ZINC000831461909 601714852 /nfs/dbraw/zinc/71/48/52/601714852.db2.gz IOXVIVIBFGGSMZ-NSHDSACASA-N -1 0 300.246 -0.910 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CC[C@](F)(C(=O)[O-])C2)nn1 ZINC000831461908 601714887 /nfs/dbraw/zinc/71/48/87/601714887.db2.gz IOXVIVIBFGGSMZ-LLVKDONJSA-N -1 0 300.246 -0.910 20 0 DBADRM CCO[C@H]1C[C@H]1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000829931629 601715652 /nfs/dbraw/zinc/71/56/52/601715652.db2.gz RNTTZORRMSERMV-BDAKNGLRSA-N -1 0 305.352 -0.440 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)o1 ZINC000831033934 601718002 /nfs/dbraw/zinc/71/80/02/601718002.db2.gz HETMMLOBXRWQQD-YUMQZZPRSA-N -1 0 316.335 -0.020 20 0 DBADRM C[C@@H]1CN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C(=O)[O-] ZINC000828326725 601718910 /nfs/dbraw/zinc/71/89/10/601718910.db2.gz UVEBGAZLCSMEQY-IPFDCLDFSA-N -1 0 321.333 -0.724 20 0 DBADRM C[C@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000828339866 601719563 /nfs/dbraw/zinc/71/95/63/601719563.db2.gz BCBKACDMKRVBHF-IUCAKERBSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000315753812 601720031 /nfs/dbraw/zinc/72/00/31/601720031.db2.gz NKWKUEMUIMITEY-SNVBAGLBSA-N -1 0 303.274 -0.151 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000833192162 601720420 /nfs/dbraw/zinc/72/04/20/601720420.db2.gz PSEWRNWTURAYNH-WCBMZHEXSA-N -1 0 308.294 -0.925 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cs1 ZINC000262540626 601721081 /nfs/dbraw/zinc/72/10/81/601721081.db2.gz UXZKNCPFEZYUEZ-SSDOTTSWSA-N -1 0 320.348 -0.679 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])s1 ZINC000833089167 601721492 /nfs/dbraw/zinc/72/14/92/601721492.db2.gz WWCZSTHSKCCGFC-LURJTMIESA-N -1 0 320.348 -0.679 20 0 DBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000825982420 601721684 /nfs/dbraw/zinc/72/16/84/601721684.db2.gz DXCULRDEMBVJKI-UPJWGTAASA-N -1 0 323.393 -0.138 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2ccc3c(c2)NC(=O)CO3)CCOC1 ZINC000262139079 601726286 /nfs/dbraw/zinc/72/62/86/601726286.db2.gz MERXLLZYEKERJS-CQSZACIVSA-N -1 0 306.274 -0.009 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CC(=O)NC1=O)c1ccccc1F ZINC000833359136 601736761 /nfs/dbraw/zinc/73/67/61/601736761.db2.gz VGHUGCYUJMBSLP-LLVKDONJSA-N -1 0 309.253 -0.381 20 0 DBADRM Cc1nc(SCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)n[nH]1 ZINC000832991693 601737676 /nfs/dbraw/zinc/73/76/76/601737676.db2.gz YZVZYZZAMLROES-QMMMGPOBSA-N -1 0 300.340 -0.093 20 0 DBADRM CC[C@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)C(=O)[O-] ZINC000828921775 601750128 /nfs/dbraw/zinc/75/01/28/601750128.db2.gz ZPKYLYJASRRFPK-OIBJUYFYSA-N -1 0 313.335 -0.304 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000833007265 601758367 /nfs/dbraw/zinc/75/83/67/601758367.db2.gz NPRHBOMIYZVFQU-LLVKDONJSA-N -1 0 318.337 -0.155 20 0 DBADRM CN(CC(=O)N1CC[C@](F)(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000830665595 601758832 /nfs/dbraw/zinc/75/88/32/601758832.db2.gz DJGMFXSVJMGHDB-BXKDBHETSA-N -1 0 322.358 -0.870 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCCO[C@H]2CCOC2)CCO1 ZINC000819310579 601760006 /nfs/dbraw/zinc/76/00/06/601760006.db2.gz HTZHSXXCNIHUPP-WDEREUQCSA-N -1 0 302.327 -0.323 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)CNC(=O)c2ccncc2)CCO1 ZINC000833216762 601760367 /nfs/dbraw/zinc/76/03/67/601760367.db2.gz RHDYNHSRKZWAHQ-LLVKDONJSA-N -1 0 307.306 -0.487 20 0 DBADRM CC(C)C(=O)NCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000393051802 601762868 /nfs/dbraw/zinc/76/28/68/601762868.db2.gz KKKFMKGQTZWTTE-JTQLQIEISA-N -1 0 301.343 -0.356 20 0 DBADRM O=C(CNC(=O)NC1CCCCC1)N[C@@]1(C(=O)[O-])CCOC1 ZINC000262131195 601766311 /nfs/dbraw/zinc/76/63/11/601766311.db2.gz QRTDODXTHHGXNE-AWEZNQCLSA-N -1 0 313.354 -0.022 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCOC1 ZINC000833128377 601767743 /nfs/dbraw/zinc/76/77/43/601767743.db2.gz DLSRNFDPQSDFFP-OQPBUACISA-N -1 0 308.294 -0.878 20 0 DBADRM C[C@H](CN1CCCC1=O)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000827455993 601768710 /nfs/dbraw/zinc/76/87/10/601768710.db2.gz QKTZQLCZTHCGEW-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000829618775 601770943 /nfs/dbraw/zinc/77/09/43/601770943.db2.gz HKDCMISJAKAFBF-DTWKUNHWSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000091298407 601774959 /nfs/dbraw/zinc/77/49/59/601774959.db2.gz FZBXFUOLMWXXOM-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000091297677 601775067 /nfs/dbraw/zinc/77/50/67/601775067.db2.gz ZDRHLYKJADEFNB-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM CCN1CCO[C@H](CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC000319257271 601776086 /nfs/dbraw/zinc/77/60/86/601776086.db2.gz YUDJOKJMCAKKOF-VXGBXAGGSA-N -1 0 315.370 -0.408 20 0 DBADRM COCC(=O)NC1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000831541109 601776873 /nfs/dbraw/zinc/77/68/73/601776873.db2.gz NKLOHMCXOWOOGS-SECBINFHSA-N -1 0 322.383 -0.736 20 0 DBADRM COC(=O)N1CCC(NS(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000831202804 601781349 /nfs/dbraw/zinc/78/13/49/601781349.db2.gz BCOQSVNUNUKKBS-QMMMGPOBSA-N -1 0 308.356 -0.143 20 0 DBADRM CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000829608973 601786050 /nfs/dbraw/zinc/78/60/50/601786050.db2.gz SNTNZNKRHKEDFG-RKDXNWHRSA-N -1 0 324.424 -0.110 20 0 DBADRM C[C@H](CS(=O)(=O)NCCN1CCOCC1(C)C)C(=O)[O-] ZINC000827557402 601787248 /nfs/dbraw/zinc/78/72/48/601787248.db2.gz DVQWREIFSYVPES-SNVBAGLBSA-N -1 0 308.400 -0.263 20 0 DBADRM C[C@@H](CS(=O)(=O)NC[C@@H](C)CN1CCOCC1)C(=O)[O-] ZINC000827503472 601793410 /nfs/dbraw/zinc/79/34/10/601793410.db2.gz XINQUJQOIYNFDV-MNOVXSKESA-N -1 0 308.400 -0.405 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[C@H]1CN1CCOCC1)C(=O)[O-] ZINC000827543212 601795692 /nfs/dbraw/zinc/79/56/92/601795692.db2.gz ZYAJJSXDZREJNZ-RYUDHWBXSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[C@@H](n2cncn2)C1)C(=O)[O-] ZINC000827542121 601796195 /nfs/dbraw/zinc/79/61/95/601796195.db2.gz SGTJDECTXSMVPM-VHSXEESVSA-N -1 0 302.356 -0.035 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)C(=O)[O-] ZINC000827551111 601796418 /nfs/dbraw/zinc/79/64/18/601796418.db2.gz FAHGNKYUSIJBQP-JLIMGVALSA-N -1 0 304.368 -0.364 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)C[C@@H](C)C(=O)OC ZINC000831584928 601799309 /nfs/dbraw/zinc/79/93/09/601799309.db2.gz ISQQALNHVVVMFJ-KCJUWKMLSA-N -1 0 311.356 -0.405 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000831058784 601799313 /nfs/dbraw/zinc/79/93/13/601799313.db2.gz AUWRKBAXAPTHBA-BDAKNGLRSA-N -1 0 309.340 -0.699 20 0 DBADRM COC(=O)CC1(NS(=O)(=O)C[C@@H](C)C(=O)[O-])CCOCC1 ZINC000831138611 601800008 /nfs/dbraw/zinc/80/00/08/601800008.db2.gz ASBFSXXTKKTHIE-SECBINFHSA-N -1 0 323.367 -0.261 20 0 DBADRM C[C@@H]1CN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC000828333300 601800728 /nfs/dbraw/zinc/80/07/28/601800728.db2.gz GVFIXBGBGCBFTA-GMTAPVOTSA-N -1 0 318.395 -0.716 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)C(=O)[O-] ZINC000827545709 601802948 /nfs/dbraw/zinc/80/29/48/601802948.db2.gz CUXNDFHTVWDZBC-GMTAPVOTSA-N -1 0 307.368 -0.083 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000328507961 601804909 /nfs/dbraw/zinc/80/49/09/601804909.db2.gz ZCHHWCNFNGQBFI-LBPRGKRZSA-N -1 0 316.335 -0.447 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-] ZINC000831632217 601805098 /nfs/dbraw/zinc/80/50/98/601805098.db2.gz VNXNDSFNMNRQLF-SECBINFHSA-N -1 0 311.747 -0.159 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC000831631375 601805658 /nfs/dbraw/zinc/80/56/58/601805658.db2.gz FSWHUJLFOJDDGV-LLVKDONJSA-N -1 0 321.307 -0.166 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CCOC1CCOCC1 ZINC000833205482 601810911 /nfs/dbraw/zinc/81/09/11/601810911.db2.gz AVZSRZOXKCDZHH-NSHDSACASA-N -1 0 314.338 -0.626 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000825870907 601821670 /nfs/dbraw/zinc/82/16/70/601821670.db2.gz IMCYBCXFNDAETO-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=S)NCCNS(C)(=O)=O)C1 ZINC000828020380 601852757 /nfs/dbraw/zinc/85/27/57/601852757.db2.gz PCPUPEGLRHRHGV-SNVBAGLBSA-N -1 0 309.413 -0.793 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000819419205 601858818 /nfs/dbraw/zinc/85/88/18/601858818.db2.gz IHUMXPNMJFKZOY-LLVKDONJSA-N -1 0 324.337 -0.018 20 0 DBADRM CCCn1cc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1 ZINC000829579246 601864091 /nfs/dbraw/zinc/86/40/91/601864091.db2.gz GIOUYYQMVPVBSZ-LLVKDONJSA-N -1 0 324.337 -0.066 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)Cn1nc(COC)oc1=O)C(=O)[O-] ZINC000828728488 601868887 /nfs/dbraw/zinc/86/88/87/601868887.db2.gz KSDRKUGKWGWLJS-OIBJUYFYSA-N -1 0 301.299 -0.402 20 0 DBADRM COC(=O)C[C@@H]1CSCCN1CC(=O)NCCC(=O)[O-] ZINC000831148202 601892919 /nfs/dbraw/zinc/89/29/19/601892919.db2.gz QXVOGDLUPGSCPE-SECBINFHSA-N -1 0 304.368 -0.442 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)NCc2ccc(C(=O)[O-])o2)O1 ZINC000833081941 601896956 /nfs/dbraw/zinc/89/69/56/601896956.db2.gz KTAPYUQXSHENBI-VXNVDRBHSA-N -1 0 311.294 -0.190 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])ccc2=O)C1 ZINC000825871196 601897297 /nfs/dbraw/zinc/89/72/97/601897297.db2.gz NHKFKPWMDSQABH-LBPRGKRZSA-N -1 0 321.333 -0.326 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000739579190 601897863 /nfs/dbraw/zinc/89/78/63/601897863.db2.gz NRGVTDLAKONTSI-JTQLQIEISA-N -1 0 319.383 -0.377 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000739588661 601899064 /nfs/dbraw/zinc/89/90/64/601899064.db2.gz YVMJUDBHQQXQTG-MRVPVSSYSA-N -1 0 310.310 -0.300 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC000739576356 601900778 /nfs/dbraw/zinc/90/07/78/601900778.db2.gz CAVROOUGKPTAGB-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])nn1 ZINC000833083412 601906957 /nfs/dbraw/zinc/90/69/57/601906957.db2.gz XTDYTCLYILNRML-ZJUUUORDSA-N -1 0 323.353 -0.083 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000739529797 601907396 /nfs/dbraw/zinc/90/73/96/601907396.db2.gz KMMSIXSFEYTTKS-IUCAKERBSA-N -1 0 307.372 -0.427 20 0 DBADRM Cn1c(N2CC[C@H](CNC(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000740281272 601919733 /nfs/dbraw/zinc/91/97/33/601919733.db2.gz FGPFBXWZPPOANO-SSDOTTSWSA-N -1 0 322.325 -0.534 20 0 DBADRM CS(=O)(=O)N1CCCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC000703169307 601930638 /nfs/dbraw/zinc/93/06/38/601930638.db2.gz RNKWOMQWVHOFJH-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000739309068 601939856 /nfs/dbraw/zinc/93/98/56/601939856.db2.gz GGWOTUQISXESPC-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000737222749 601940057 /nfs/dbraw/zinc/94/00/57/601940057.db2.gz HTXVHPMFKRGBBC-JTQLQIEISA-N -1 0 321.399 -0.228 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)Cn1cc([C@@H](C)O)nn1 ZINC000831554031 601944143 /nfs/dbraw/zinc/94/41/43/601944143.db2.gz QLZXARBWYDWPEJ-PELKAZGASA-N -1 0 300.315 -0.673 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000035390016 601944952 /nfs/dbraw/zinc/94/49/52/601944952.db2.gz RFTKIUSSIXDRCH-SECBINFHSA-N -1 0 317.367 -0.098 20 0 DBADRM Cc1nc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)nn1-c1nc[nH]n1 ZINC000738842747 601945007 /nfs/dbraw/zinc/94/50/07/601945007.db2.gz PKKBWQPUHCTNHC-SSDOTTSWSA-N -1 0 307.314 -0.077 20 0 DBADRM Cc1ncc([N+](=O)[O-])n1CCN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000315457969 601949148 /nfs/dbraw/zinc/94/91/48/601949148.db2.gz SOJFHXDYWKJAIA-SECBINFHSA-N -1 0 311.298 -0.625 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000739317529 601952292 /nfs/dbraw/zinc/95/22/92/601952292.db2.gz YISIDMQBYHVRNK-AMIZOPFISA-N -1 0 312.326 -0.425 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)O1 ZINC000833082882 601961201 /nfs/dbraw/zinc/96/12/01/601961201.db2.gz SAZRPLZYFBOOEM-RNFRBKRXSA-N -1 0 318.307 -0.711 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)O1 ZINC000833082894 601961440 /nfs/dbraw/zinc/96/14/40/601961440.db2.gz SFKUQJFMLRXKQR-DTWKUNHWSA-N -1 0 320.367 -0.806 20 0 DBADRM COC(=O)[C@@]1(C)CCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000831089501 601966548 /nfs/dbraw/zinc/96/65/48/601966548.db2.gz NBKWSMAZYPEVJP-NSHDSACASA-N -1 0 308.356 -0.477 20 0 DBADRM Cc1nn(C)c2ncc(S(=O)(=O)NCCNC(=O)[O-])cc12 ZINC000740254390 601984347 /nfs/dbraw/zinc/98/43/47/601984347.db2.gz FOPMQWVZYJQKHO-UHFFFAOYSA-N -1 0 313.339 -0.177 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCCCC[C@H]1C(N)=O ZINC000830742638 601990758 /nfs/dbraw/zinc/99/07/58/601990758.db2.gz KFIDALRUBIQIBH-NXEZZACHSA-N -1 0 321.399 -0.339 20 0 DBADRM C[C@H](NS(=O)(=O)N1CCOCC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739038269 601993202 /nfs/dbraw/zinc/99/32/02/601993202.db2.gz JZDHMZTWUHYWBN-QWRGUYRKSA-N -1 0 321.399 -0.069 20 0 DBADRM CC(=O)NCCNC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000738555495 602024634 /nfs/dbraw/zinc/02/46/34/602024634.db2.gz JJSAWEFUVWWVQQ-UHFFFAOYSA-N -1 0 324.341 -0.541 20 0 DBADRM O=C([O-])NC[C@H]1CCN(C(=O)CNC(=O)c2ccncc2)C1 ZINC000740639990 602035764 /nfs/dbraw/zinc/03/57/64/602035764.db2.gz GYNVPTZHHWGYCH-SNVBAGLBSA-N -1 0 306.322 -0.073 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739038433 602036658 /nfs/dbraw/zinc/03/66/58/602036658.db2.gz LBNZINTVROFKCO-RKDXNWHRSA-N -1 0 307.372 -0.475 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCCNC(=O)[O-])cc1Cl ZINC000740340912 602039510 /nfs/dbraw/zinc/03/95/10/602039510.db2.gz NMJUYIMVVFZECU-UHFFFAOYSA-N -1 0 321.742 -0.015 20 0 DBADRM O=C([O-])N1CCC[C@H](CNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000740413198 602053587 /nfs/dbraw/zinc/05/35/87/602053587.db2.gz HGDCWKHTDYOGNI-ZJUUUORDSA-N -1 0 319.383 -0.137 20 0 DBADRM O=C([O-])N1CCC[C@H](CNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000740413195 602053795 /nfs/dbraw/zinc/05/37/95/602053795.db2.gz HGDCWKHTDYOGNI-NXEZZACHSA-N -1 0 319.383 -0.137 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000390359895 602059432 /nfs/dbraw/zinc/05/94/32/602059432.db2.gz QUBJLNGMFSWRAT-NSHDSACASA-N -1 0 307.372 -0.568 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)CCCN(C)C(=O)[O-])CC1 ZINC000737114343 602067538 /nfs/dbraw/zinc/06/75/38/602067538.db2.gz CVFUPBHQTJPKPF-UHFFFAOYSA-N -1 0 314.386 -0.343 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)CCn2ccnn2)CC1 ZINC000740367271 602068556 /nfs/dbraw/zinc/06/85/56/602068556.db2.gz OZHHSPDOYBWXID-UHFFFAOYSA-N -1 0 310.358 -0.530 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737545967 602072900 /nfs/dbraw/zinc/07/29/00/602072900.db2.gz GHEHATIMVXDNEE-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CSCN1C(C)=O ZINC000829948541 602073086 /nfs/dbraw/zinc/07/30/86/602073086.db2.gz UTIXCLWHBQZWEF-UWVGGRQHSA-N -1 0 304.368 -0.144 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CSCN1C(C)=O ZINC000829948539 602073091 /nfs/dbraw/zinc/07/30/91/602073091.db2.gz UTIXCLWHBQZWEF-NXEZZACHSA-N -1 0 304.368 -0.144 20 0 DBADRM CN(C(=O)NCCN(C(=O)[O-])C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000739575275 602079374 /nfs/dbraw/zinc/07/93/74/602079374.db2.gz JTTQXOMBLLEXRZ-SNVBAGLBSA-N -1 0 319.383 -0.043 20 0 DBADRM COC(=O)C[C@H](NC(=O)COc1c(C)nn(C)c1C)C(=O)[O-] ZINC000831128049 602083222 /nfs/dbraw/zinc/08/32/22/602083222.db2.gz CADQVZMTTQAROO-VIFPVBQESA-N -1 0 313.310 -0.452 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000738555315 602083453 /nfs/dbraw/zinc/08/34/53/602083453.db2.gz FLGRYZGFBJLZOR-UHFFFAOYSA-N -1 0 309.282 -0.638 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)C(=O)[O-] ZINC000824641339 608010407 /nfs/dbraw/zinc/01/04/07/608010407.db2.gz UNBMVRZVVREKOE-YFKPBYRVSA-N -1 0 315.286 -0.243 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739516797 602090535 /nfs/dbraw/zinc/09/05/35/602090535.db2.gz VFZYRVYHEDEGCA-VIFPVBQESA-N -1 0 322.387 -0.775 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NC[C@@H]2COCCO2)cn1 ZINC000740707054 602091255 /nfs/dbraw/zinc/09/12/55/602091255.db2.gz JBLTWHZOBFJNTI-SECBINFHSA-N -1 0 324.293 -0.358 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC(CC(=O)[O-])CC2)O1 ZINC000833081483 602093647 /nfs/dbraw/zinc/09/36/47/602093647.db2.gz HDNFLONIZKFAOJ-QWRGUYRKSA-N -1 0 313.354 -0.084 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000827256180 602099775 /nfs/dbraw/zinc/09/97/75/602099775.db2.gz IHLTWXXCTGYHSE-RKDXNWHRSA-N -1 0 307.372 -0.871 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000827256880 602099825 /nfs/dbraw/zinc/09/98/25/602099825.db2.gz KLYWQTNMPVFBJP-SECBINFHSA-N -1 0 311.338 -0.953 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)NCCCNS(C)(=O)=O ZINC000739231044 602117638 /nfs/dbraw/zinc/11/76/38/602117638.db2.gz DARVAHCJBVCVJA-DTWKUNHWSA-N -1 0 309.388 -0.276 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738016060 602122736 /nfs/dbraw/zinc/12/27/36/602122736.db2.gz YLXVXOSFOPUCNZ-UHFFFAOYSA-N -1 0 321.333 -0.105 20 0 DBADRM C[C@@H](CO)NC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000832803696 602136346 /nfs/dbraw/zinc/13/63/46/602136346.db2.gz SKUPKAWIWTZPPB-VIFPVBQESA-N -1 0 310.306 -0.024 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)COc1c(C)nn(C)c1C ZINC000831170009 602143959 /nfs/dbraw/zinc/14/39/59/602143959.db2.gz FKFNOXDDFOSINY-UHFFFAOYSA-N -1 0 313.310 -0.498 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000829983754 602151910 /nfs/dbraw/zinc/15/19/10/602151910.db2.gz BJJNWYMVTPJBSN-NWDGAFQWSA-N -1 0 302.371 -0.361 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)CC[C@H]1CCCO1 ZINC000831174871 602152919 /nfs/dbraw/zinc/15/29/19/602152919.db2.gz BLHICJDPERXEAD-SECBINFHSA-N -1 0 309.340 -0.555 20 0 DBADRM C[C@H]1CN(CCNC(=O)N2CCN(C(=O)[O-])CC2)CCO1 ZINC000736812214 602153912 /nfs/dbraw/zinc/15/39/12/602153912.db2.gz USXCTZISXOIREN-NSHDSACASA-N -1 0 300.359 -0.288 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)C(=O)[O-] ZINC000739620695 602159880 /nfs/dbraw/zinc/15/98/80/602159880.db2.gz YDYLYBUHYRCDMG-NSHDSACASA-N -1 0 313.354 -0.306 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000829817588 602165546 /nfs/dbraw/zinc/16/55/46/602165546.db2.gz ITNQMBVVBPQMHY-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM CN(CC(=O)NC[C@@]1(N2CCOCC2)CCSC1)C(=O)[O-] ZINC000739623523 602167831 /nfs/dbraw/zinc/16/78/31/602167831.db2.gz PNQFCUIGTKOLSN-ZDUSSCGKSA-N -1 0 317.411 -0.080 20 0 DBADRM CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])o3)C[C@@H]21 ZINC000830964884 602174799 /nfs/dbraw/zinc/17/47/99/602174799.db2.gz NCQIZKIOGDALJT-WPRPVWTQSA-N -1 0 316.335 -0.319 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCCN(CC(N)=O)CC1 ZINC000739293653 602188055 /nfs/dbraw/zinc/18/80/55/602188055.db2.gz XXUJLWAALFAILO-CQSZACIVSA-N -1 0 314.386 -0.168 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(CC(N)=O)CC1 ZINC000739238485 602190006 /nfs/dbraw/zinc/19/00/06/602190006.db2.gz UOOHXIAIHZUCRE-KOLCDFICSA-N -1 0 300.359 -0.702 20 0 DBADRM COCCNC(=O)C1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000739831669 602190620 /nfs/dbraw/zinc/19/06/20/602190620.db2.gz NPZPUHWDHBNEDA-UHFFFAOYSA-N -1 0 301.343 -0.403 20 0 DBADRM CN1CCO[C@H]2CN(C(=O)NC3CCN(C(=O)[O-])CC3)C[C@@H]21 ZINC000830964639 602196188 /nfs/dbraw/zinc/19/61/88/602196188.db2.gz LPCVXLCMDABTRC-RYUDHWBXSA-N -1 0 312.370 -0.147 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccc3nonc32)CCO1 ZINC000760119830 602206787 /nfs/dbraw/zinc/20/67/87/602206787.db2.gz XQPWQHPRZGRBAM-QMMMGPOBSA-N -1 0 313.291 -0.303 20 0 DBADRM COc1cc2c(nn1)CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C2 ZINC000832112724 602213343 /nfs/dbraw/zinc/21/33/43/602213343.db2.gz XJYSBGIAEWFLBJ-MRVPVSSYSA-N -1 0 315.351 -0.106 20 0 DBADRM COc1cc2c(nn1)CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C2 ZINC000832112725 602213654 /nfs/dbraw/zinc/21/36/54/602213654.db2.gz XJYSBGIAEWFLBJ-QMMMGPOBSA-N -1 0 315.351 -0.106 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)OCCN1C(=O)CNC1=O ZINC000739237648 602214033 /nfs/dbraw/zinc/21/40/33/602214033.db2.gz TYKXIVSGKOXKHT-IONNQARKSA-N -1 0 301.299 -0.236 20 0 DBADRM NC(=O)[C@H]1CC(C(=O)OCCNC(=O)[O-])=NN1c1ccccc1 ZINC000739152508 602220819 /nfs/dbraw/zinc/22/08/19/602220819.db2.gz JFZLRQSFTIUGKL-LLVKDONJSA-N -1 0 320.305 -0.083 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC000737886343 602223368 /nfs/dbraw/zinc/22/33/68/602223368.db2.gz DBRZWMXKWIJYQP-VIFPVBQESA-N -1 0 307.372 -0.137 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnn(C)c1 ZINC000827026952 602231447 /nfs/dbraw/zinc/23/14/47/602231447.db2.gz AVEDYTXOYSCSQZ-SNVBAGLBSA-N -1 0 305.356 -0.081 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000826000159 602235332 /nfs/dbraw/zinc/23/53/32/602235332.db2.gz NPVJQTSLXRYTQB-HZMBPMFUSA-N -1 0 310.354 -0.443 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000826000163 602235376 /nfs/dbraw/zinc/23/53/76/602235376.db2.gz NPVJQTSLXRYTQB-IINYFYTJSA-N -1 0 310.354 -0.443 20 0 DBADRM COC1(C(=O)NC[C@@H]2CN(C)CCO2)CCN(C(=O)[O-])CC1 ZINC000739798312 602248301 /nfs/dbraw/zinc/24/83/01/602248301.db2.gz YQAZMMIHPNKIMR-LLVKDONJSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)N1CCNC(=O)C1 ZINC000739011589 602265034 /nfs/dbraw/zinc/26/50/34/602265034.db2.gz QFAQZXVCWQVLDQ-GHMZBOCLSA-N -1 0 312.370 -0.545 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NCCCN1CCOCC1 ZINC000740428207 602269673 /nfs/dbraw/zinc/26/96/73/602269673.db2.gz MEHZILOBYVWVJA-JTQLQIEISA-N -1 0 303.384 -0.122 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@@H](C)CC(=O)[O-])C1 ZINC000825871835 602271258 /nfs/dbraw/zinc/27/12/58/602271258.db2.gz YIMUTHIVOINXDU-ONGXEEELSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000827324585 602271573 /nfs/dbraw/zinc/27/15/73/602271573.db2.gz IMJAVUVDYAIGJH-IUCAKERBSA-N -1 0 314.338 -0.234 20 0 DBADRM CO[C@H](C)CCNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739795429 602282611 /nfs/dbraw/zinc/28/26/11/602282611.db2.gz HZBSSHHCNCXLHU-SNVBAGLBSA-N -1 0 316.358 -0.467 20 0 DBADRM CN(CCNC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000739692268 602296593 /nfs/dbraw/zinc/29/65/93/602296593.db2.gz PFWXGZASXOTIEH-UHFFFAOYSA-N -1 0 304.310 -0.069 20 0 DBADRM CN(CCNC(=O)c1csc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000739699158 602303032 /nfs/dbraw/zinc/30/30/32/602303032.db2.gz QJVXSZWVMLWOHX-UHFFFAOYSA-N -1 0 307.353 -0.265 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)c1ccc(S(N)(=O)=O)o1 ZINC000738753128 602307921 /nfs/dbraw/zinc/30/79/21/602307921.db2.gz ZCFGWKWPIPWPSF-UHFFFAOYSA-N -1 0 305.312 -0.297 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)CCCN1C(=O)CNC1=O ZINC000738750043 602309545 /nfs/dbraw/zinc/30/95/45/602309545.db2.gz AMDCPWXXKJGRAF-UHFFFAOYSA-N -1 0 300.315 -0.519 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000738994562 602312004 /nfs/dbraw/zinc/31/20/04/602312004.db2.gz LZJCIQBYALWQOZ-MRVPVSSYSA-N -1 0 322.321 -0.114 20 0 DBADRM CCN(CCNC(=O)CCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000739423437 602314795 /nfs/dbraw/zinc/31/47/95/602314795.db2.gz HFAYCLFWYHJWMN-UHFFFAOYSA-N -1 0 300.315 -0.566 20 0 DBADRM CCN(CCNC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000739424558 602315431 /nfs/dbraw/zinc/31/54/31/602315431.db2.gz NTDIXXRAFWCXAS-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM O=C([O-])NCCNC(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000740659291 602321237 /nfs/dbraw/zinc/32/12/37/602321237.db2.gz JLEGBAQHFCPBAR-UHFFFAOYSA-N -1 0 316.358 -0.826 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N1CCCN(C(=O)[O-])CC1 ZINC000738138864 602322199 /nfs/dbraw/zinc/32/21/99/602322199.db2.gz LNRXPQWSWSFBBI-UHFFFAOYSA-N -1 0 324.428 -0.904 20 0 DBADRM CN(CCN1CCOCC1)C(=O)[C@H]1CSCN1C(=O)[O-] ZINC000739687885 602325499 /nfs/dbraw/zinc/32/54/99/602325499.db2.gz RXKGILDWZLNCNN-SNVBAGLBSA-N -1 0 303.384 -0.170 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N[C@H]2CCCC[C@@H]2O)CC1 ZINC000740440616 602332786 /nfs/dbraw/zinc/33/27/86/602332786.db2.gz SONPNHSSMHEPFB-RYUDHWBXSA-N -1 0 314.386 -0.115 20 0 DBADRM COCCS(=O)(=O)CC(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC000831788283 602335396 /nfs/dbraw/zinc/33/53/96/602335396.db2.gz NDMMUAVKTUTAQC-UHFFFAOYSA-N -1 0 322.364 -0.135 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)OCCCNC(=O)[O-] ZINC000738553295 602335131 /nfs/dbraw/zinc/33/51/31/602335131.db2.gz VWRYIJULMJKHML-JTQLQIEISA-N -1 0 315.326 -0.686 20 0 DBADRM COC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739799948 602338342 /nfs/dbraw/zinc/33/83/42/602338342.db2.gz AUTCUUVCAHBYRY-GHMZBOCLSA-N -1 0 315.370 -0.109 20 0 DBADRM COC[C@@H](C)C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739801495 602338651 /nfs/dbraw/zinc/33/86/51/602338651.db2.gz JMQVCUWMHFFSCH-SNVBAGLBSA-N -1 0 301.343 -0.451 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)NCCSCC(=O)[O-] ZINC000827421994 602344497 /nfs/dbraw/zinc/34/44/97/602344497.db2.gz HDNRDYOLRFEMOP-QMMMGPOBSA-N -1 0 312.413 -0.073 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NCCCNC(=O)[O-])ccc1F ZINC000740338228 602346345 /nfs/dbraw/zinc/34/63/45/602346345.db2.gz MDAUIKAOTQQDPY-UHFFFAOYSA-N -1 0 319.314 -0.139 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 ZINC000827240934 602347133 /nfs/dbraw/zinc/34/71/33/602347133.db2.gz PGYRWLXERPADPN-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000739526114 602347887 /nfs/dbraw/zinc/34/78/87/602347887.db2.gz QOHJJVUYIHRENE-NSHDSACASA-N -1 0 312.370 -0.545 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)NCCCNC(=O)[O-])CC1 ZINC000739985772 602348057 /nfs/dbraw/zinc/34/80/57/602348057.db2.gz MZKHFKFWUQMAPU-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000740010673 602348831 /nfs/dbraw/zinc/34/88/31/602348831.db2.gz MKDGMGUTYOBUED-SFYZADRCSA-N -1 0 310.397 -0.321 20 0 DBADRM CC(C)N(CCCNC(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC000738847859 602354197 /nfs/dbraw/zinc/35/41/97/602354197.db2.gz GJQKXWAAMALUMH-UHFFFAOYSA-N -1 0 312.326 -0.006 20 0 DBADRM Cn1cc(NC(=O)N2CCS(=O)(=O)CC2)cc1C(=O)[O-] ZINC000833048001 602360865 /nfs/dbraw/zinc/36/08/65/602360865.db2.gz BLUKQKOBTFAOHW-UHFFFAOYSA-N -1 0 301.324 -0.014 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000739317565 602367957 /nfs/dbraw/zinc/36/79/57/602367957.db2.gz YJTIRIUNJOFORK-QMMMGPOBSA-N -1 0 312.326 -0.377 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NC1CCN(S(=O)(=O)CC)CC1 ZINC000739528962 602368388 /nfs/dbraw/zinc/36/83/88/602368388.db2.gz BDZIVNGHAFIPPL-JTQLQIEISA-N -1 0 321.399 -0.037 20 0 DBADRM CN(C)c1nc(N)nc(CN2CCC[C@@H](CNC(=O)[O-])C2)n1 ZINC000739619056 602376008 /nfs/dbraw/zinc/37/60/08/602376008.db2.gz JVNUBQCBIIQMCI-VIFPVBQESA-N -1 0 309.374 -0.001 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)[C@H](CC)NC(=O)[O-])CC1 ZINC000739458827 602376271 /nfs/dbraw/zinc/37/62/71/602376271.db2.gz ATUXSMSDNIJHFJ-JTQLQIEISA-N -1 0 300.359 -0.687 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCOCC1 ZINC000739310700 602376719 /nfs/dbraw/zinc/37/67/19/602376719.db2.gz AYILZJOEGAPQEB-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NC1CCN(CC(=O)NC)CC1 ZINC000739530261 602389991 /nfs/dbraw/zinc/38/99/91/602389991.db2.gz LRSGVOFBQBYZJZ-JTQLQIEISA-N -1 0 300.359 -0.641 20 0 DBADRM NC(=O)C1(CNC(=O)C2(NC(=O)[O-])CCCC2)CCOCC1 ZINC000740323983 602391314 /nfs/dbraw/zinc/39/13/14/602391314.db2.gz DGXNMJARVTZNCW-UHFFFAOYSA-N -1 0 313.354 -0.035 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000739599412 602391442 /nfs/dbraw/zinc/39/14/42/602391442.db2.gz JADPEJYJYSMLKK-SECBINFHSA-N -1 0 316.383 -0.135 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000739310786 602393627 /nfs/dbraw/zinc/39/36/27/602393627.db2.gz FITITWGRUBIRHT-NXEZZACHSA-N -1 0 321.399 -0.037 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@@H](O)COc2ccccc2)nn1 ZINC000833122244 602398726 /nfs/dbraw/zinc/39/87/26/602398726.db2.gz UQUGTWMRORTXLT-SNVBAGLBSA-N -1 0 320.305 -0.468 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000829790262 602402216 /nfs/dbraw/zinc/40/22/16/602402216.db2.gz MVKLMSCRBZOJGN-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)C(=O)[O-] ZINC000739694279 602405698 /nfs/dbraw/zinc/40/56/98/602405698.db2.gz JCEMPCISOANGNK-UHFFFAOYSA-N -1 0 320.305 -0.172 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)NCCCNC(=O)[O-] ZINC000740290521 602406597 /nfs/dbraw/zinc/40/65/97/602406597.db2.gz OVMXBGHUYCQJKW-UHFFFAOYSA-N -1 0 304.328 -0.940 20 0 DBADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000739010278 602407001 /nfs/dbraw/zinc/40/70/01/602407001.db2.gz XXEOFOIGPXZDMV-VIFPVBQESA-N -1 0 324.337 -0.156 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)NCCCNC(=O)[O-])n1 ZINC000739599180 602412381 /nfs/dbraw/zinc/41/23/81/602412381.db2.gz GOUWXBNAGDVIDL-UHFFFAOYSA-N -1 0 312.330 -0.250 20 0 DBADRM O=C([O-])N1CCC(NC(=O)NCC2(O)CCOCC2)CC1 ZINC000738498609 602415906 /nfs/dbraw/zinc/41/59/06/602415906.db2.gz LJGWQNWCOZQGIW-UHFFFAOYSA-N -1 0 301.343 -0.031 20 0 DBADRM CS(=O)(=O)NCCc1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000739997322 602416564 /nfs/dbraw/zinc/41/65/64/602416564.db2.gz UWXQFXKUCMRUKR-UHFFFAOYSA-N -1 0 304.328 -0.192 20 0 DBADRM O=C([O-])N(CCNC(=O)NCC1(O)CCOCC1)C1CC1 ZINC000740436786 602420510 /nfs/dbraw/zinc/42/05/10/602420510.db2.gz KMCZHYSCMFWCCE-UHFFFAOYSA-N -1 0 301.343 -0.031 20 0 DBADRM COc1cc(C)nc(N2CCN(C(=O)CNC(=O)[O-])CC2)n1 ZINC000737868679 602420952 /nfs/dbraw/zinc/42/09/52/602420952.db2.gz UWIHFYOXPJRISN-UHFFFAOYSA-N -1 0 309.326 -0.290 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)c1=O ZINC000740275260 602428849 /nfs/dbraw/zinc/42/88/49/602428849.db2.gz MGMSWVKJFVBSKU-AWEZNQCLSA-N -1 0 324.337 -0.901 20 0 DBADRM CCN(CCNC(=O)NC[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739430283 602437933 /nfs/dbraw/zinc/43/79/33/602437933.db2.gz FVHJXGMSDVTXBZ-SECBINFHSA-N -1 0 307.372 -0.280 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)NCCN(C)C(=O)[O-])CC1 ZINC000739741003 602439052 /nfs/dbraw/zinc/43/90/52/602439052.db2.gz WJODKKVAPLFFIY-UHFFFAOYSA-N -1 0 315.374 -0.894 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)NCCN(C)C(=O)[O-] ZINC000739518207 602439774 /nfs/dbraw/zinc/43/97/74/602439774.db2.gz OURSUBZDUXHJGE-UHFFFAOYSA-N -1 0 324.403 -0.433 20 0 DBADRM CN(CCNC(=O)N1CCC[C@H](CNC(N)=O)C1)C(=O)[O-] ZINC000739690621 602444119 /nfs/dbraw/zinc/44/41/19/602444119.db2.gz BUPQTQRBFXYMIQ-SECBINFHSA-N -1 0 301.347 -0.314 20 0 DBADRM CCC(CC)(CNC(=O)[O-])NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000739251218 602444839 /nfs/dbraw/zinc/44/48/39/602444839.db2.gz AMGDLYBVBQALBW-UHFFFAOYSA-N -1 0 312.326 -0.109 20 0 DBADRM CN(CCNC(=O)N1CCN(c2cccnn2)CC1)C(=O)[O-] ZINC000739693902 602444857 /nfs/dbraw/zinc/44/48/57/602444857.db2.gz WEIALFPTRZVCTJ-UHFFFAOYSA-N -1 0 308.342 -0.082 20 0 DBADRM CCN(CCNC(=O)NCCNS(=O)(=O)CC)C(=O)[O-] ZINC000739432011 602446298 /nfs/dbraw/zinc/44/62/98/602446298.db2.gz XAKNDUAANJKPSJ-UHFFFAOYSA-N -1 0 310.376 -0.775 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)CCCN1C(=O)CN(C)C1=O ZINC000738925978 602448731 /nfs/dbraw/zinc/44/87/31/602448731.db2.gz OFJZSSGGJNFCPG-SECBINFHSA-N -1 0 314.342 -0.225 20 0 DBADRM COC(=O)NC(C)(C)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739775969 602461375 /nfs/dbraw/zinc/46/13/75/602461375.db2.gz LVCBPMWGCKPQRT-UHFFFAOYSA-N -1 0 316.358 -0.467 20 0 DBADRM COCCCN(C(=O)[C@@H](C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739810264 602464037 /nfs/dbraw/zinc/46/40/37/602464037.db2.gz JXBOOJAETLBBOV-NXEZZACHSA-N -1 0 322.383 -0.305 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000738926319 602468643 /nfs/dbraw/zinc/46/86/43/602468643.db2.gz CLXRKZFLDQOYBY-SSDOTTSWSA-N -1 0 300.315 -0.569 20 0 DBADRM NC(=O)N1CCCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000740331530 602471451 /nfs/dbraw/zinc/47/14/51/602471451.db2.gz HDQLJLVPCYVVJX-MRVPVSSYSA-N -1 0 302.356 -0.348 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000738983503 602471101 /nfs/dbraw/zinc/47/11/01/602471101.db2.gz GCKFZIQVQUUSMB-VIFPVBQESA-N -1 0 322.321 -0.272 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739991802 602471143 /nfs/dbraw/zinc/47/11/43/602471143.db2.gz NQKBKSLACHCOFJ-IUCAKERBSA-N -1 0 305.356 -0.721 20 0 DBADRM NC(=O)N1CCCN(C(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC000740331531 602471298 /nfs/dbraw/zinc/47/12/98/602471298.db2.gz HDQLJLVPCYVVJX-QMMMGPOBSA-N -1 0 302.356 -0.348 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740029245 602475670 /nfs/dbraw/zinc/47/56/70/602475670.db2.gz AVIGNVSOFVAQKQ-VIFPVBQESA-N -1 0 319.321 -0.258 20 0 DBADRM O=C(CSc1nnnn1C1CC1)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740380690 602478100 /nfs/dbraw/zinc/47/81/00/602478100.db2.gz MAZGCEBTGDMALA-SSDOTTSWSA-N -1 0 312.355 -0.031 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=S)NCCS(C)(=O)=O)CC1 ZINC000737939181 602483282 /nfs/dbraw/zinc/48/32/82/602483282.db2.gz MVBUVPTUHXPGMJ-UHFFFAOYSA-N -1 0 323.440 -0.020 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1)C(=O)[O-] ZINC000739657074 602485386 /nfs/dbraw/zinc/48/53/86/602485386.db2.gz LSQFTNDGEAJRET-QMMMGPOBSA-N -1 0 310.310 -0.442 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1ccc(=O)n(C)n1 ZINC000739688489 602492593 /nfs/dbraw/zinc/49/25/93/602492593.db2.gz MVUUKNQNOXDQKJ-UHFFFAOYSA-N -1 0 323.353 -0.852 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)[O-])CC1 ZINC000739990492 602494739 /nfs/dbraw/zinc/49/47/39/602494739.db2.gz GLUBCQMNPGQAQY-JTQLQIEISA-N -1 0 319.383 -0.377 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739209760 602495917 /nfs/dbraw/zinc/49/59/17/602495917.db2.gz AUHLMKDJBGKQCC-LLVKDONJSA-N -1 0 314.386 -0.345 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)[C@@H]1CCC(=O)NC1 ZINC000739681909 602496253 /nfs/dbraw/zinc/49/62/53/602496253.db2.gz KHCOYFKTDKGNAY-LLVKDONJSA-N -1 0 312.370 -0.733 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1c[nH]c(C(N)=O)c1 ZINC000739683245 602496539 /nfs/dbraw/zinc/49/65/39/602496539.db2.gz GWAFHVCRDOBKHQ-UHFFFAOYSA-N -1 0 323.353 -0.519 20 0 DBADRM O=C([O-])N1CCCC[C@@H]1C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000740732985 602496700 /nfs/dbraw/zinc/49/67/00/602496700.db2.gz QVYDIXQBYLXARN-SECBINFHSA-N -1 0 324.337 -0.281 20 0 DBADRM CN(CCCNC(=O)[C@@H]1CCCCN1C(=O)[O-])S(C)(=O)=O ZINC000739679549 602499185 /nfs/dbraw/zinc/49/91/85/602499185.db2.gz FVCKIQODECKJEZ-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CN(CCCC(=O)N1CCC[C@H](CS(N)(=O)=O)C1)C(=O)[O-] ZINC000737419268 602501032 /nfs/dbraw/zinc/50/10/32/602501032.db2.gz VRIRAIQDQZHWLQ-JTQLQIEISA-N -1 0 321.399 -0.097 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738551138 602503360 /nfs/dbraw/zinc/50/33/60/602503360.db2.gz NRLMEZWFKHKQMY-UHFFFAOYSA-N -1 0 308.294 -0.033 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000739513448 602508425 /nfs/dbraw/zinc/50/84/25/602508425.db2.gz CHSJYRXQTNEFEY-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM O=C([O-])N1CCCC[C@H]1C(=O)NCCN1CCCS1(=O)=O ZINC000740440720 602508839 /nfs/dbraw/zinc/50/88/39/602508839.db2.gz VDGMQHZLOZETEJ-JTQLQIEISA-N -1 0 319.383 -0.329 20 0 DBADRM CN1C(=O)N[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(=O)[O-])C2)C1=O ZINC000739723829 602510043 /nfs/dbraw/zinc/51/00/43/602510043.db2.gz OAGDHMJIAJPNRI-LKFCYVNXSA-N -1 0 324.337 -0.328 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)N1CCCS(=O)(=O)CC1 ZINC000740345464 602513587 /nfs/dbraw/zinc/51/35/87/602513587.db2.gz BTTSBPDATZDLOC-QMMMGPOBSA-N -1 0 308.381 -0.314 20 0 DBADRM CCCN(C(=O)CCNS(C)(=O)=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739346270 602515261 /nfs/dbraw/zinc/51/52/61/602515261.db2.gz VLBREBSPCPQFKD-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)CN1CCCS1(=O)=O ZINC000738809197 602528140 /nfs/dbraw/zinc/52/81/40/602528140.db2.gz YASIDPKJEVZPTB-JTQLQIEISA-N -1 0 321.399 -0.180 20 0 DBADRM O=C(CCc1nc(-c2nc[nH]n2)no1)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740364379 602532851 /nfs/dbraw/zinc/53/28/51/602532851.db2.gz UFHPZBBQKZRQGQ-SSDOTTSWSA-N -1 0 321.297 -0.344 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000738704967 602533329 /nfs/dbraw/zinc/53/33/29/602533329.db2.gz PAXQUWCSQSMWCG-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM COCCn1nc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)ccc1=O ZINC000739843526 602536365 /nfs/dbraw/zinc/53/63/65/602536365.db2.gz UWMWSCUYSVHGAW-SECBINFHSA-N -1 0 310.310 -0.628 20 0 DBADRM COCCN1C(=O)C[C@@H](N2CCC(N(C)C(=O)[O-])CC2)C1=O ZINC000739828224 602539748 /nfs/dbraw/zinc/53/97/48/602539748.db2.gz HONOSTOQJRWLCT-LLVKDONJSA-N -1 0 313.354 -0.166 20 0 DBADRM COC1(C(=O)OCCNS(C)(=O)=O)CCN(C(=O)[O-])CC1 ZINC000739804078 602548877 /nfs/dbraw/zinc/54/88/77/602548877.db2.gz WCKAMFHARIZVPE-UHFFFAOYSA-N -1 0 324.355 -0.762 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000739763311 602553472 /nfs/dbraw/zinc/55/34/72/602553472.db2.gz VKJOWVZQNNAJST-SECBINFHSA-N -1 0 316.310 -0.259 20 0 DBADRM CN1CCO[C@H](CNC(=O)N2CCCN(C(=O)[O-])CC2)C1 ZINC000738022022 602554622 /nfs/dbraw/zinc/55/46/22/602554622.db2.gz KVHDRTBQJKNPOM-LLVKDONJSA-N -1 0 300.359 -0.288 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCN(C(=O)[O-])C[C@H]1C ZINC000739475749 602554682 /nfs/dbraw/zinc/55/46/82/602554682.db2.gz MSAYWTMGYDWEDN-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM CN1CCO[C@@H](CNC(=O)N2CCC(NC(=O)[O-])CC2)C1 ZINC000739745536 602555577 /nfs/dbraw/zinc/55/55/77/602555577.db2.gz XLOFSXNACYLHHS-NSHDSACASA-N -1 0 300.359 -0.241 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739815103 602563730 /nfs/dbraw/zinc/56/37/30/602563730.db2.gz ZGCKSAAZMXYKBE-JTQLQIEISA-N -1 0 309.388 -0.259 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000738939242 602565440 /nfs/dbraw/zinc/56/54/40/602565440.db2.gz DHKDVPNMIZRIEF-ZETCQYMHSA-N -1 0 318.355 -0.599 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1C(N)=O ZINC000740290842 602568630 /nfs/dbraw/zinc/56/86/30/602568630.db2.gz RBDODZLPSTXTJA-SSDOTTSWSA-N -1 0 316.339 -0.845 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN(C(=O)[O-])C2)C[C@H](C)O1 ZINC000739196758 602568952 /nfs/dbraw/zinc/56/89/52/602568952.db2.gz WDNQZZSNEWIEJJ-AEJSXWLSSA-N -1 0 307.372 -0.318 20 0 DBADRM COCCCN(C(=O)CN(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739811723 602570074 /nfs/dbraw/zinc/57/00/74/602570074.db2.gz WERGFLQTRQLAQP-JTQLQIEISA-N -1 0 322.383 -0.352 20 0 DBADRM CN(CC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1)C(=O)[O-] ZINC000737396922 602571626 /nfs/dbraw/zinc/57/16/26/602571626.db2.gz LIRSFVAUBMFSKH-UHFFFAOYSA-N -1 0 322.321 -0.160 20 0 DBADRM C[C@@H](C(=O)N(C)CCN1CCN(C(=O)[O-])CC1)n1cncn1 ZINC000738599362 602575710 /nfs/dbraw/zinc/57/57/10/602575710.db2.gz FBEHNGDDZPUAFY-NSHDSACASA-N -1 0 310.358 -0.407 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NCC(=O)NCC(F)(F)F)C1 ZINC000740376030 602578892 /nfs/dbraw/zinc/57/88/92/602578892.db2.gz DOASBMOHYCMVNQ-ZCFIWIBFSA-N -1 0 312.248 -0.284 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NCCC(=O)N2CCOCC2)C1 ZINC000740417335 602581035 /nfs/dbraw/zinc/58/10/35/602581035.db2.gz ONTOOUAMDGEKAJ-JTQLQIEISA-N -1 0 314.342 -0.713 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000740417698 602586918 /nfs/dbraw/zinc/58/69/18/602586918.db2.gz GCCBMCGPIFSUNY-IUCAKERBSA-N -1 0 305.356 -0.527 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1)C(=O)[O-] ZINC000739643232 602591687 /nfs/dbraw/zinc/59/16/87/602591687.db2.gz FQWREPRUDNIQSC-VIFPVBQESA-N -1 0 312.326 -0.613 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)[C@@H](O)c1cccnc1 ZINC000739683129 602592006 /nfs/dbraw/zinc/59/20/06/602592006.db2.gz XZXBZGZFHSYYMX-ZDUSSCGKSA-N -1 0 322.365 -0.131 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNC(=O)NCCN1CCOCC1 ZINC000740442255 602596669 /nfs/dbraw/zinc/59/66/69/602596669.db2.gz VBMVHQSORALCKC-NSHDSACASA-N -1 0 300.359 -0.240 20 0 DBADRM CN(C[C@H]1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000739652870 602608646 /nfs/dbraw/zinc/60/86/46/602608646.db2.gz XHZNJEAGLVOTDY-NXEZZACHSA-N -1 0 319.383 -0.185 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)NCCC(=O)N1CCOCC1 ZINC000738925443 602614043 /nfs/dbraw/zinc/61/40/43/602614043.db2.gz HQZJVCRHQSPJIW-JTQLQIEISA-N -1 0 316.358 -0.467 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)NC[C@@H]2CCCN2C(=O)[O-])cn1 ZINC000739749355 602617061 /nfs/dbraw/zinc/61/70/61/602617061.db2.gz NZSJECKEYZESIO-JTQLQIEISA-N -1 0 324.341 -0.107 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NCCS(=O)(=O)NC2CC2)C1 ZINC000740444722 602618339 /nfs/dbraw/zinc/61/83/39/602618339.db2.gz SZLSVXIOTOHWMJ-VIFPVBQESA-N -1 0 320.371 -0.880 20 0 DBADRM CNC(=O)CCN(C)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739739862 602623667 /nfs/dbraw/zinc/62/36/67/602623667.db2.gz HNJXQFGSIHKYEE-UHFFFAOYSA-N -1 0 315.374 -0.941 20 0 DBADRM C[C@H]1CN(CCNC(=O)N[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739183824 602624971 /nfs/dbraw/zinc/62/49/71/602624971.db2.gz TXXKINYPQKZIOQ-QWRGUYRKSA-N -1 0 300.359 -0.241 20 0 DBADRM CN(CC(=O)NCC[C@H]1CCCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000739623271 602631597 /nfs/dbraw/zinc/63/15/97/602631597.db2.gz LSDYXIRJBIVNPO-SNVBAGLBSA-N -1 0 321.399 -0.226 20 0 DBADRM CN(C(=O)N[C@H]1CCN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000739578178 602635339 /nfs/dbraw/zinc/63/53/39/602635339.db2.gz XKGKBJSURPAKDO-IUCAKERBSA-N -1 0 305.356 -0.433 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000736418002 602639356 /nfs/dbraw/zinc/63/93/56/602639356.db2.gz ZSOVTZFIBVOYBK-SECBINFHSA-N -1 0 314.342 -0.273 20 0 DBADRM O=C([O-])N1CCC[C@@H](C(=O)NCCCN2C(=O)CNC2=O)C1 ZINC000738500462 602639403 /nfs/dbraw/zinc/63/94/03/602639403.db2.gz KJSDCAULGLXGRM-SECBINFHSA-N -1 0 312.326 -0.566 20 0 DBADRM CS(=O)(=O)NCCC(=O)NCC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739997329 602643409 /nfs/dbraw/zinc/64/34/09/602643409.db2.gz UZZQPHQTTGRKDB-SNVBAGLBSA-N -1 0 321.399 -0.178 20 0 DBADRM CN(C)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000739618285 602647483 /nfs/dbraw/zinc/64/74/83/602647483.db2.gz VLKWTFVGCCMZAV-JTQLQIEISA-N -1 0 321.337 -0.045 20 0 DBADRM COc1ccncc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739984621 602649321 /nfs/dbraw/zinc/64/93/21/602649321.db2.gz LWMLGYDVBXXIAP-MRVPVSSYSA-N -1 0 308.294 -0.103 20 0 DBADRM NS(=O)(=O)c1ccc(NC(=O)COCCNC(=O)[O-])cc1 ZINC000740344042 602657632 /nfs/dbraw/zinc/65/76/32/602657632.db2.gz TXRMFXNWKPRKHK-UHFFFAOYSA-N -1 0 317.323 -0.443 20 0 DBADRM O=C([O-])NCCOCC(=O)Oc1ccc(-n2cnnn2)cc1 ZINC000740665424 602658979 /nfs/dbraw/zinc/65/89/79/602658979.db2.gz IETOPRQQKISIEH-UHFFFAOYSA-N -1 0 307.266 -0.148 20 0 DBADRM Cn1cnnc1C1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000740294061 602660667 /nfs/dbraw/zinc/66/06/67/602660667.db2.gz IQJGGGIHQFNAAE-UHFFFAOYSA-N -1 0 311.342 -0.195 20 0 DBADRM CC1(C)CN(CCNC(=O)COCCNC(=O)[O-])CCO1 ZINC000739063148 602664371 /nfs/dbraw/zinc/66/43/71/602664371.db2.gz GVPWCYJNPMYUES-UHFFFAOYSA-N -1 0 303.359 -0.502 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000738995622 602664587 /nfs/dbraw/zinc/66/45/87/602664587.db2.gz OAQYHWPMRIFKGN-XCBNKYQSSA-N -1 0 321.289 -0.001 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)COCCNC(=O)[O-])C1 ZINC000739776868 602664712 /nfs/dbraw/zinc/66/47/12/602664712.db2.gz QSWHKPKFGCATQT-VIFPVBQESA-N -1 0 303.315 -0.382 20 0 DBADRM NC(=O)NC[C@@H]1CCCCN1C(=O)COCCNC(=O)[O-] ZINC000740333241 602664731 /nfs/dbraw/zinc/66/47/31/602664731.db2.gz RLUCJZTVHIGTQQ-VIFPVBQESA-N -1 0 302.331 -0.680 20 0 DBADRM O=C([O-])NCCOCC(=O)NCC(=O)N1CCc2ccccc21 ZINC000740669121 602665008 /nfs/dbraw/zinc/66/50/08/602665008.db2.gz YLVYGZKTDJOKFQ-UHFFFAOYSA-N -1 0 321.333 -0.024 20 0 DBADRM CN(CC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1)C(=O)[O-] ZINC000737385633 602672342 /nfs/dbraw/zinc/67/23/42/602672342.db2.gz UEXFLMORZXUOMF-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)Nc1ccccc1C(=O)NCCC(N)=O ZINC000738994394 602674536 /nfs/dbraw/zinc/67/45/36/602674536.db2.gz LSYSENIWMBDDFP-MRVPVSSYSA-N -1 0 322.321 -0.114 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)O[C@@H]1CCN(C(=O)[O-])C1 ZINC000738704740 602678439 /nfs/dbraw/zinc/67/84/39/602678439.db2.gz NUFLAUHGTNUIDE-MRVPVSSYSA-N -1 0 308.356 0.000 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@@H]2CCCOC2)CC1 ZINC000740403496 602680123 /nfs/dbraw/zinc/68/01/23/602680123.db2.gz CCTHDUXJWOFCME-SNVBAGLBSA-N -1 0 314.342 -0.713 20 0 DBADRM Cn1cc(CN2CCN(C(=O)NCCCNC(=O)[O-])CC2)cn1 ZINC000740288124 602680685 /nfs/dbraw/zinc/68/06/85/602680685.db2.gz BXAOKZGTGHHZQU-UHFFFAOYSA-N -1 0 324.385 -0.095 20 0 DBADRM COCCN1C[C@H](C(=O)O[C@@H]2CCN(C(=O)[O-])C2)CC1=O ZINC000739829812 602681964 /nfs/dbraw/zinc/68/19/64/602681964.db2.gz QYKZIYWVXDZBLB-NXEZZACHSA-N -1 0 300.311 -0.223 20 0 DBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000737220293 602687355 /nfs/dbraw/zinc/68/73/55/602687355.db2.gz LYABFXWYCOACON-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000736418872 602689886 /nfs/dbraw/zinc/68/98/86/602689886.db2.gz CNLOLGBFMLZRKJ-DTWKUNHWSA-N -1 0 307.372 -0.442 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000738444073 602689919 /nfs/dbraw/zinc/68/99/19/602689919.db2.gz ABAVVLWVPOIEKL-DTWKUNHWSA-N -1 0 305.356 -0.734 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)C2CCN(C(=O)[O-])CC2)C1 ZINC000740342528 602690248 /nfs/dbraw/zinc/69/02/48/602690248.db2.gz OYWIGGHKZQWJFB-SECBINFHSA-N -1 0 305.356 -0.734 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000740282809 602692774 /nfs/dbraw/zinc/69/27/74/602692774.db2.gz GWZNCGZTRURNCC-YFKPBYRVSA-N -1 0 303.369 -0.227 20 0 DBADRM CN(CCCNC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC000739671562 602707974 /nfs/dbraw/zinc/70/79/74/602707974.db2.gz ZBAJPDWZEJYUAS-UHFFFAOYSA-N -1 0 308.298 -0.993 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2csc(CNC(=O)[O-])n2)CCO1 ZINC000740328580 602710277 /nfs/dbraw/zinc/71/02/77/602710277.db2.gz RCGDEPABSBGOQC-SSDOTTSWSA-N -1 0 314.323 -0.763 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)NCCc1nncn1C ZINC000740011471 602712580 /nfs/dbraw/zinc/71/25/80/602712580.db2.gz SIQLDNGNJQVRLW-QMMMGPOBSA-N -1 0 301.372 -0.137 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=S)NCCS(C)(=O)=O ZINC000739162014 602713012 /nfs/dbraw/zinc/71/30/12/602713012.db2.gz RWFQBCHUEUAXSF-QMMMGPOBSA-N -1 0 309.413 -0.410 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)[O-])NS(C)(=O)=O ZINC000738745287 602728915 /nfs/dbraw/zinc/72/89/15/602728915.db2.gz ACXQWLRODOZGBK-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000739466976 602728951 /nfs/dbraw/zinc/72/89/51/602728951.db2.gz YGXKGZJMAVIJPM-ZETCQYMHSA-N -1 0 311.385 -0.905 20 0 DBADRM CN(CCCC(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000737422387 602729624 /nfs/dbraw/zinc/72/96/24/602729624.db2.gz LTQAZUBHAOOKKC-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000739318150 602729900 /nfs/dbraw/zinc/72/99/00/602729900.db2.gz XXNOWUKWKVJSCU-QMMMGPOBSA-N -1 0 309.388 -0.133 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000739157922 602730480 /nfs/dbraw/zinc/73/04/80/602730480.db2.gz PRSKACFIJAPLAD-SSDOTTSWSA-N -1 0 317.323 -0.249 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000738994515 602733067 /nfs/dbraw/zinc/73/30/67/602733067.db2.gz KUUHYGBKVISFSG-VIFPVBQESA-N -1 0 300.359 -0.689 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)NCC(=O)NC(C)(C)C ZINC000739161059 602738773 /nfs/dbraw/zinc/73/87/73/602738773.db2.gz NLQWIAANKJBENW-SNVBAGLBSA-N -1 0 314.386 -0.299 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CCN(C(=O)[O-])C[C@@H]1C ZINC000739809004 602739169 /nfs/dbraw/zinc/73/91/69/602739169.db2.gz WMQPLMAMGIGYBY-ZJUUUORDSA-N -1 0 316.358 -0.469 20 0 DBADRM O=C(CN1CCCS1(=O)=O)OC[C@H]1CCCN(C(=O)[O-])C1 ZINC000740370067 602745985 /nfs/dbraw/zinc/74/59/85/602745985.db2.gz SSVYMBYEJVUWIW-JTQLQIEISA-N -1 0 320.367 -0.045 20 0 DBADRM C[C@H]1CN(C(=S)NCCS(C)(=O)=O)C[C@H](C)N1C(=O)[O-] ZINC000739178769 602749321 /nfs/dbraw/zinc/74/93/21/602749321.db2.gz ZKVLTVVIRRWZBL-IUCAKERBSA-N -1 0 323.440 -0.022 20 0 DBADRM CN(CCNC(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000739695768 602750066 /nfs/dbraw/zinc/75/00/66/602750066.db2.gz UHUIKSZRVXINGZ-UHFFFAOYSA-N -1 0 310.376 -0.777 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000737857698 602750099 /nfs/dbraw/zinc/75/00/99/602750099.db2.gz LTZAWROLSGDVBA-SECBINFHSA-N -1 0 322.387 -0.633 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000737890501 602750649 /nfs/dbraw/zinc/75/06/49/602750649.db2.gz YMRMFGOWVUQVLZ-VIFPVBQESA-N -1 0 308.356 -0.141 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739837883 602752827 /nfs/dbraw/zinc/75/28/27/602752827.db2.gz NYIPTELBCXIDNC-AOOOYVTPSA-N -1 0 322.383 -0.353 20 0 DBADRM COCCN(CC(=O)NCC1(C(N)=O)CCCC1)C(=O)[O-] ZINC000739819939 602770584 /nfs/dbraw/zinc/77/05/84/602770584.db2.gz URADAZUIACYGOU-UHFFFAOYSA-N -1 0 301.343 -0.225 20 0 DBADRM CC(C)[C@@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)NC(=O)[O-] ZINC000738775145 602774889 /nfs/dbraw/zinc/77/48/89/602774889.db2.gz DDQUZCQXXAQCPH-HTQZYQBOSA-N -1 0 300.315 -0.617 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)[C@@H](CNC(=O)[O-])c2ccccc2)CCO1 ZINC000831177897 602775976 /nfs/dbraw/zinc/77/59/76/602775976.db2.gz CMIBZYVITUSBKT-RYUDHWBXSA-N -1 0 321.333 -0.250 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCCn2cncn2)cn1 ZINC000740706038 602776736 /nfs/dbraw/zinc/77/67/36/602776736.db2.gz PCWRTEJPTPLQAH-UHFFFAOYSA-N -1 0 319.281 -0.482 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000825193324 602788978 /nfs/dbraw/zinc/78/89/78/602788978.db2.gz IBOXLAZBVHMMDP-SCZZXKLOSA-N -1 0 324.341 -0.586 20 0 DBADRM C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825466575 602801472 /nfs/dbraw/zinc/80/14/72/602801472.db2.gz TVFXHOPVPWXXCK-RKDXNWHRSA-N -1 0 324.341 -0.728 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)S(=O)(=O)CCCS(C)(=O)=O ZINC000738945150 602802505 /nfs/dbraw/zinc/80/25/05/602802505.db2.gz YUBHMALKRJDUMV-QMMMGPOBSA-N -1 0 316.401 -0.661 20 0 DBADRM CC(C)[C@@H](CNC(=O)NC[C@H]1CN(C)CCO1)NC(=O)[O-] ZINC000738787228 602802740 /nfs/dbraw/zinc/80/27/40/602802740.db2.gz MUJBQFAEOLELBY-WDEREUQCSA-N -1 0 302.375 -0.092 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CC[C@@H](CNC(=O)[O-])C2)S1 ZINC000831238900 602803703 /nfs/dbraw/zinc/80/37/03/602803703.db2.gz ASMFOHQBOPKRDW-NKWVEPMBSA-N -1 0 300.340 -0.341 20 0 DBADRM C[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H](C)N1C(=O)[O-] ZINC000739134953 602804835 /nfs/dbraw/zinc/80/48/35/602804835.db2.gz NGXJYJUODARBGB-IUCAKERBSA-N -1 0 310.310 -0.452 20 0 DBADRM CC(C)[C@H](CNC(=O)NCCN1C(=O)CCC1=O)NC(=O)[O-] ZINC000738781076 602805457 /nfs/dbraw/zinc/80/54/57/602805457.db2.gz ISQWHPSACIYLCO-VIFPVBQESA-N -1 0 314.342 -0.273 20 0 DBADRM CC(C)[C@H](CNC(=O)NCCN1C(=O)CNC1=O)NC(=O)[O-] ZINC000738780290 602805548 /nfs/dbraw/zinc/80/55/48/602805548.db2.gz DMBWAMBHRVOELV-QMMMGPOBSA-N -1 0 315.330 -0.870 20 0 DBADRM CN(CC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-])S(C)(=O)=O ZINC000739624031 602808179 /nfs/dbraw/zinc/80/81/79/602808179.db2.gz KKCPJCQMAMISBE-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)n1 ZINC000739747928 602813749 /nfs/dbraw/zinc/81/37/49/602813749.db2.gz FPAHQHLCUUUAPA-IUCAKERBSA-N -1 0 324.341 -0.211 20 0 DBADRM CCN(CC(=O)O[C@@H](C)C(=O)NC(=O)NC1CC1)C(=O)[O-] ZINC000739404175 602814411 /nfs/dbraw/zinc/81/44/11/602814411.db2.gz VFPIREHHGPKHDR-ZETCQYMHSA-N -1 0 301.299 -0.094 20 0 DBADRM CN(CC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)C(=O)[O-] ZINC000737393042 602817159 /nfs/dbraw/zinc/81/71/59/602817159.db2.gz JNXBBEDYENRDGR-SECBINFHSA-N -1 0 309.326 -0.359 20 0 DBADRM CCN(CC(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000739400176 602817657 /nfs/dbraw/zinc/81/76/57/602817657.db2.gz RRGNCXJSFKPFAB-MRVPVSSYSA-N -1 0 303.315 -0.878 20 0 DBADRM CCOC(=O)N1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739475684 602820949 /nfs/dbraw/zinc/82/09/49/602820949.db2.gz FTKCWXWPULLWPO-SNVBAGLBSA-N -1 0 315.326 -0.334 20 0 DBADRM CC(C)(CCC(=O)NCCN1CCCS1(=O)=O)NC(=O)[O-] ZINC000738740036 602827858 /nfs/dbraw/zinc/82/78/58/602827858.db2.gz KBZKMKIELMPRTH-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM CN(C)C(=O)CN(C)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739596649 602828992 /nfs/dbraw/zinc/82/89/92/602828992.db2.gz OSYWWJRYKGNIMP-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM O=C(CNC(=O)[C@@H]1COCCN1C(=O)[O-])NCc1ccco1 ZINC000740377957 602829902 /nfs/dbraw/zinc/82/99/02/602829902.db2.gz LZPCPYGGSWMNCD-JTQLQIEISA-N -1 0 311.294 -0.609 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)NCCCNC(=O)[O-] ZINC000739663370 602830282 /nfs/dbraw/zinc/83/02/82/602830282.db2.gz JOSFRYWDNZQMDW-VIFPVBQESA-N -1 0 307.372 -0.280 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCc1nnc2ccccn21 ZINC000740447659 602831470 /nfs/dbraw/zinc/83/14/70/602831470.db2.gz SRZSBUOMKWRDMV-JTQLQIEISA-N -1 0 319.321 -0.233 20 0 DBADRM CC(C)(CCC(=O)N1CC[C@@H](S(N)(=O)=O)C1)NC(=O)[O-] ZINC000738738844 602835537 /nfs/dbraw/zinc/83/55/37/602835537.db2.gz LQGXAZZAEPCOMC-MRVPVSSYSA-N -1 0 307.372 -0.298 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C[C@H]2CCCN2C(=O)[O-])CCO1 ZINC000828639860 602845687 /nfs/dbraw/zinc/84/56/87/602845687.db2.gz IJLGYQNYBVVGBB-ZJUUUORDSA-N -1 0 300.311 -0.081 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000738910955 602845974 /nfs/dbraw/zinc/84/59/74/602845974.db2.gz IZWVCEAWGYMPOP-WDEREUQCSA-N -1 0 301.343 -0.798 20 0 DBADRM Cc1nn(C)cc1C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740255554 602846574 /nfs/dbraw/zinc/84/65/74/602846574.db2.gz ZDFSTMXARICDLG-UHFFFAOYSA-N -1 0 323.353 -0.377 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCNC(=O)c1cccnc1 ZINC000740442290 602847547 /nfs/dbraw/zinc/84/75/47/602847547.db2.gz WXKJZQMIQCSSEH-LLVKDONJSA-N -1 0 322.321 -0.694 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCNC(=O)c1cccnc1 ZINC000740442291 602847631 /nfs/dbraw/zinc/84/76/31/602847631.db2.gz WXKJZQMIQCSSEH-NSHDSACASA-N -1 0 322.321 -0.694 20 0 DBADRM O=C([O-])NC1(C(=O)NCCN2C(=O)CNC2=O)CCCCC1 ZINC000740543412 602851548 /nfs/dbraw/zinc/85/15/48/602851548.db2.gz TVKYWZCQHQZUJH-UHFFFAOYSA-N -1 0 312.326 -0.375 20 0 DBADRM NS(=O)(=O)CCCNC(=O)c1ccc(NC(=O)[O-])cc1O ZINC000740343164 602853448 /nfs/dbraw/zinc/85/34/48/602853448.db2.gz VOADGCSRRLAHHR-UHFFFAOYSA-N -1 0 317.323 -0.110 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000739524689 602854541 /nfs/dbraw/zinc/85/45/41/602854541.db2.gz PRFRKJWILVMFJL-BDAKNGLRSA-N -1 0 307.372 -0.427 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000739751703 602855332 /nfs/dbraw/zinc/85/53/32/602855332.db2.gz VCOWGIDRPLVSJB-UWVGGRQHSA-N -1 0 319.383 -0.331 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000739514034 602860269 /nfs/dbraw/zinc/86/02/69/602860269.db2.gz FAWFXMDRGMWMLU-SFYZADRCSA-N -1 0 310.397 -0.021 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000739812189 602867313 /nfs/dbraw/zinc/86/73/13/602867313.db2.gz FPTPJCGYLPQAMD-SNVBAGLBSA-N -1 0 309.388 -0.069 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)Oc1cccc(C(=O)NCC(N)=O)c1 ZINC000738999849 602867610 /nfs/dbraw/zinc/86/76/10/602867610.db2.gz XYRPMDNINYUQGF-SSDOTTSWSA-N -1 0 309.278 -0.537 20 0 DBADRM CN1CCO[C@@H](CNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC000739745960 602871354 /nfs/dbraw/zinc/87/13/54/602871354.db2.gz YLCMLPFHKCWIAC-RYUDHWBXSA-N -1 0 315.370 -0.408 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000827388973 602872006 /nfs/dbraw/zinc/87/20/06/602872006.db2.gz QWXHILUMDMIYBK-NWDGAFQWSA-N -1 0 317.386 -0.426 20 0 DBADRM C[C@@H]1CN(CCNC(=O)[C@H]2COCCN2C(=O)[O-])CCO1 ZINC000739182097 602876733 /nfs/dbraw/zinc/87/67/33/602876733.db2.gz MERXGAPADVKWTN-GHMZBOCLSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000825289508 602878336 /nfs/dbraw/zinc/87/83/36/602878336.db2.gz ZICXEOCJDFRVSO-MRVPVSSYSA-N -1 0 324.341 -0.728 20 0 DBADRM C[C@@H]1CN(C(=O)NC2CCN(C(=O)[O-])CC2)CCS1(=O)=O ZINC000736810742 602881856 /nfs/dbraw/zinc/88/18/56/602881856.db2.gz LAPUGQOQVOWNBM-SECBINFHSA-N -1 0 319.383 -0.043 20 0 DBADRM CN(CCN1CCOCC1)C(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739687715 602883038 /nfs/dbraw/zinc/88/30/38/602883038.db2.gz PGUVXRXMQXYWSV-LLVKDONJSA-N -1 0 301.343 -0.844 20 0 DBADRM NC(=O)CC[C@H]1CCCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000740330234 602883050 /nfs/dbraw/zinc/88/30/50/602883050.db2.gz ZKKLVESFWJOUJZ-MNOVXSKESA-N -1 0 313.354 -0.131 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739187612 602888279 /nfs/dbraw/zinc/88/82/79/602888279.db2.gz HLTCMVTZOWQSRM-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM CCN1C(=S)N=NC1CNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739562806 602888465 /nfs/dbraw/zinc/88/84/65/602888465.db2.gz FCGNAHXVFZXNFI-ZETCQYMHSA-N -1 0 315.355 -0.418 20 0 DBADRM CC(=O)N1CCC(CNC(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000738511620 602889867 /nfs/dbraw/zinc/88/98/67/602889867.db2.gz FCFYCTHYKFGMOQ-LBPRGKRZSA-N -1 0 313.354 -0.260 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1)C(=O)[O-] ZINC000739642803 602889980 /nfs/dbraw/zinc/88/99/80/602889980.db2.gz YGUMXSJKBFNIOA-VIFPVBQESA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000739042141 602890462 /nfs/dbraw/zinc/89/04/62/602890462.db2.gz ILWMTRGLDQKINL-VHSXEESVSA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000739042143 602890517 /nfs/dbraw/zinc/89/05/17/602890517.db2.gz ILWMTRGLDQKINL-ZJUUUORDSA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000739042138 602890593 /nfs/dbraw/zinc/89/05/93/602890593.db2.gz ILWMTRGLDQKINL-NXEZZACHSA-N -1 0 300.311 -0.223 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739458001 602893767 /nfs/dbraw/zinc/89/37/67/602893767.db2.gz AELIOMYAASCOCU-JGVFFNPUSA-N -1 0 301.299 -0.236 20 0 DBADRM CCCNC(=O)NC(=O)COC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739363673 602893892 /nfs/dbraw/zinc/89/38/92/602893892.db2.gz VVBKZHJNAMEVDL-MRVPVSSYSA-N -1 0 301.299 -0.235 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739761656 602898103 /nfs/dbraw/zinc/89/81/03/602898103.db2.gz MBCJDJYXLHVDBU-JGVFFNPUSA-N -1 0 302.283 -0.793 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)CN(CC1CC1)C(=O)[O-] ZINC000827266053 602899204 /nfs/dbraw/zinc/89/92/04/602899204.db2.gz QOIWPFYEELQGRP-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCOC[C@H]1CCOC1 ZINC000740445212 602899234 /nfs/dbraw/zinc/89/92/34/602899234.db2.gz XBOULYQSECLTMJ-QWRGUYRKSA-N -1 0 302.327 -0.466 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CC1SC(=N)NC1=O ZINC000826020511 602900540 /nfs/dbraw/zinc/90/05/40/602900540.db2.gz NARDDEPALRBHTR-RNFRBKRXSA-N -1 0 300.340 -0.246 20 0 DBADRM C[C@H]1CN(C(=O)COC(=O)[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739134080 602901007 /nfs/dbraw/zinc/90/10/07/602901007.db2.gz MEFFSNSMCZGQBQ-UWVGGRQHSA-N -1 0 300.311 -0.223 20 0 DBADRM O=C([O-])N(CC(=O)N[C@@H]1CCc2ncnn2C1)C[C@@H]1CCCO1 ZINC000740368536 602904342 /nfs/dbraw/zinc/90/43/42/602904342.db2.gz YHLCLMGPYWWBMJ-MNOVXSKESA-N -1 0 323.353 -0.132 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000828572951 602905964 /nfs/dbraw/zinc/90/59/64/602905964.db2.gz LKBLQMAOEFBVJS-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739040866 602907054 /nfs/dbraw/zinc/90/70/54/602907054.db2.gz WWBKFCXTYUODJG-CIUDSAMLSA-N -1 0 307.372 -0.477 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)NCC2(O)CCC2)CC1 ZINC000740440065 602909222 /nfs/dbraw/zinc/90/92/22/602909222.db2.gz NTWFVLPCAXOJRU-UHFFFAOYSA-N -1 0 300.359 -0.504 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000739157217 602917214 /nfs/dbraw/zinc/91/72/14/602917214.db2.gz WRSOWSSQAKTCCV-NXEZZACHSA-N -1 0 308.342 -0.013 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000740641178 602918686 /nfs/dbraw/zinc/91/86/86/602918686.db2.gz OANVQHIDHSQBMH-VHSXEESVSA-N -1 0 308.342 -0.108 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)C[C@H]2CCCN2C(=O)[O-])C1 ZINC000831244613 602919617 /nfs/dbraw/zinc/91/96/17/602919617.db2.gz AONFFVLGXKRJFK-RKDXNWHRSA-N -1 0 305.356 -0.592 20 0 DBADRM COCCS(=O)(=O)CC(=O)OC[C@@H]1CCCN1C(=O)[O-] ZINC000739836865 602922280 /nfs/dbraw/zinc/92/22/80/602922280.db2.gz FBVKGVWINYYBON-VIFPVBQESA-N -1 0 309.340 -0.267 20 0 DBADRM C[C@@H](CC(=O)NCC(C)(C)N1CCS(=O)CC1)NC(=O)[O-] ZINC000824628401 602923709 /nfs/dbraw/zinc/92/37/09/602923709.db2.gz HWHOOYDAGHPWQC-JTQLQIEISA-N -1 0 319.427 -0.008 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)CN(CC1CC1)C(=O)[O-] ZINC000831245560 602924896 /nfs/dbraw/zinc/92/48/96/602924896.db2.gz JVGDMTARLACGRD-SNVBAGLBSA-N -1 0 319.383 -0.344 20 0 DBADRM CCN1CCO[C@H](CNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000739457920 602931891 /nfs/dbraw/zinc/93/18/91/602931891.db2.gz VQOPZPNQWZMKKT-GHMZBOCLSA-N -1 0 300.359 -0.241 20 0 DBADRM CCN1CCO[C@H](CNC(=O)N[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000739457927 602932272 /nfs/dbraw/zinc/93/22/72/602932272.db2.gz VQOPZPNQWZMKKT-WDEREUQCSA-N -1 0 300.359 -0.241 20 0 DBADRM C[C@@H](OC(=O)COCCNC(=O)[O-])C(=O)N1CCOCC1 ZINC000739042250 602932888 /nfs/dbraw/zinc/93/28/88/602932888.db2.gz NKMXQXSPEOFIJJ-SECBINFHSA-N -1 0 304.299 -0.939 20 0 DBADRM C[C@@H](CO)[C@@H](C)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738938789 602934490 /nfs/dbraw/zinc/93/44/90/602934490.db2.gz JXPANBQHBHAGEL-VHSXEESVSA-N -1 0 316.358 -0.875 20 0 DBADRM CC(=O)N1CCC(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000738519977 602934722 /nfs/dbraw/zinc/93/47/22/602934722.db2.gz DJSQVSCOASQFAQ-VXGBXAGGSA-N -1 0 314.338 -0.099 20 0 DBADRM CC(=O)N1CCC(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000738519976 602934771 /nfs/dbraw/zinc/93/47/71/602934771.db2.gz DJSQVSCOASQFAQ-RYUDHWBXSA-N -1 0 314.338 -0.099 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)CCN1C(=O)[O-] ZINC000739164338 602936721 /nfs/dbraw/zinc/93/67/21/602936721.db2.gz BUEHQOCKSGKQNU-SSDOTTSWSA-N -1 0 317.323 -0.249 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)S1 ZINC000831240024 602940875 /nfs/dbraw/zinc/94/08/75/602940875.db2.gz LLQFXESBRWRUCH-RQJHMYQMSA-N -1 0 300.340 -0.199 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000737123244 602947028 /nfs/dbraw/zinc/94/70/28/602947028.db2.gz PPDKHNRNJSGJNC-NSHDSACASA-N -1 0 300.359 -0.288 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000740574017 602949498 /nfs/dbraw/zinc/94/94/98/602949498.db2.gz JMIDUGVLZUGZGV-IVZWLZJFSA-N -1 0 304.368 -0.026 20 0 DBADRM C[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CCN1C(=O)[O-] ZINC000739129650 602951384 /nfs/dbraw/zinc/95/13/84/602951384.db2.gz AACLAFQBNUNPGM-MRVPVSSYSA-N -1 0 312.326 -0.473 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000736415335 602963202 /nfs/dbraw/zinc/96/32/02/602963202.db2.gz MZLATFHJYHJNGA-VHSXEESVSA-N -1 0 321.399 -0.181 20 0 DBADRM Cn1cc(C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740284132 602957249 /nfs/dbraw/zinc/95/72/49/602957249.db2.gz KOGLYKMXCPXQLL-SECBINFHSA-N -1 0 324.337 -0.796 20 0 DBADRM Cn1cc(C(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000740279778 602958821 /nfs/dbraw/zinc/95/88/21/602958821.db2.gz GSEWOEOBZNKLEL-AWEZNQCLSA-N -1 0 324.337 -0.750 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CCO1 ZINC000823580446 602958889 /nfs/dbraw/zinc/95/88/89/602958889.db2.gz SCEDBZCLJUMTBM-RYUDHWBXSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@@H](CC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)NC(=O)[O-] ZINC000824623466 602959020 /nfs/dbraw/zinc/95/90/20/602959020.db2.gz UEYGLUJWCSZFCG-WCBMZHEXSA-N -1 0 309.326 -0.312 20 0 DBADRM CCN(CCNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC000739425195 602968218 /nfs/dbraw/zinc/96/82/18/602968218.db2.gz GFNKEFROLPVHES-SECBINFHSA-N -1 0 322.387 -0.681 20 0 DBADRM O=C(CC1CCOCC1)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740355990 602979280 /nfs/dbraw/zinc/97/92/80/602979280.db2.gz ZCEXKDXUBKXTCV-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000740619510 602979370 /nfs/dbraw/zinc/97/93/70/602979370.db2.gz CXPXZVLDPZNGGP-IUCAKERBSA-N -1 0 310.310 -0.499 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC(NC(=O)[O-])CC1 ZINC000738952343 602979942 /nfs/dbraw/zinc/97/99/42/602979942.db2.gz SJVNWLWQNSKQRM-QMMMGPOBSA-N -1 0 307.372 -0.139 20 0 DBADRM CS(=O)(=O)CCNC(=S)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000739985023 602980363 /nfs/dbraw/zinc/98/03/63/602980363.db2.gz SQMFXVRHFMALOC-QMMMGPOBSA-N -1 0 309.413 -0.459 20 0 DBADRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC000740625188 602981049 /nfs/dbraw/zinc/98/10/49/602981049.db2.gz VMHCINVNJFKMMV-NXEZZACHSA-N -1 0 324.337 -0.521 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)COCCNC(=O)[O-])C[C@H]1C ZINC000739042050 602984456 /nfs/dbraw/zinc/98/44/56/602984456.db2.gz CGUTUOJUZPGAGS-MNOVXSKESA-N -1 0 303.359 -0.816 20 0 DBADRM COCCN(CC(=O)N1CCN(CCOC)[C@@H](C)C1)C(=O)[O-] ZINC000739818281 602986792 /nfs/dbraw/zinc/98/67/92/602986792.db2.gz WSWOWUSBYDUZLG-LBPRGKRZSA-N -1 0 317.386 -0.208 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)NCCCN1C(=O)CNC1=O ZINC000740573222 602991901 /nfs/dbraw/zinc/99/19/01/602991901.db2.gz TYPVQZJYAIJLFH-BDAKNGLRSA-N -1 0 312.326 -0.519 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-])NS(C)(=O)=O ZINC000738747156 602993928 /nfs/dbraw/zinc/99/39/28/602993928.db2.gz NXKRDPXFYDKPLN-IUCAKERBSA-N -1 0 321.399 -0.133 20 0 DBADRM Cc1nccc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000740236515 602995263 /nfs/dbraw/zinc/99/52/63/602995263.db2.gz MYFULRYZBYOIRE-UHFFFAOYSA-N -1 0 307.310 -0.777 20 0 DBADRM Cn1cnc2c1CCN(C(=O)CN1CCN(C(=O)[O-])CC1=O)C2 ZINC000740294456 602999859 /nfs/dbraw/zinc/99/98/59/602999859.db2.gz GMHUIYOOGAPZFR-UHFFFAOYSA-N -1 0 321.337 -0.873 20 0 DBADRM COc1cccnc1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739985175 603001223 /nfs/dbraw/zinc/00/12/23/603001223.db2.gz MKULOFNEQPKYIA-UHFFFAOYSA-N -1 0 308.294 -0.149 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000828200634 603009315 /nfs/dbraw/zinc/00/93/15/603009315.db2.gz XMZQXKGDFQWERD-ZJUUUORDSA-N -1 0 319.383 -0.043 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000828200632 603009433 /nfs/dbraw/zinc/00/94/33/603009433.db2.gz XMZQXKGDFQWERD-VHSXEESVSA-N -1 0 319.383 -0.043 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000832550987 603009642 /nfs/dbraw/zinc/00/96/42/603009642.db2.gz GSIFSTIREUOPRN-DTWKUNHWSA-N -1 0 305.356 -0.385 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])c1noc(Cn2ccc(=O)n(C)c2=O)n1 ZINC000738910361 603013566 /nfs/dbraw/zinc/01/35/66/603013566.db2.gz DTSFQCYRAFKMCF-MRVPVSSYSA-N -1 0 323.309 -0.308 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)CCCNC(=O)[O-])C2=O)cn1 ZINC000739033576 603014681 /nfs/dbraw/zinc/01/46/81/603014681.db2.gz KVEZTMQSFHQTKM-SNVBAGLBSA-N -1 0 309.326 -0.311 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000740663812 603015198 /nfs/dbraw/zinc/01/51/98/603015198.db2.gz MWCJUWDSOZZPGE-LLVKDONJSA-N -1 0 301.343 -0.796 20 0 DBADRM NC(=O)CCn1ccc(NC(=O)[C@@H]2CSCN2C(=O)[O-])n1 ZINC000740329357 603016187 /nfs/dbraw/zinc/01/61/87/603016187.db2.gz QKXPMJJTGVRACI-ZETCQYMHSA-N -1 0 313.339 -0.250 20 0 DBADRM CCCN(CC(=O)OC)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739354749 603018631 /nfs/dbraw/zinc/01/86/31/603018631.db2.gz RZGCPLZLRLASGD-UHFFFAOYSA-N -1 0 315.326 -0.780 20 0 DBADRM CC(C)(CC(=O)NCCC(=O)N1CCOCC1)NC(=O)[O-] ZINC000738730180 603018773 /nfs/dbraw/zinc/01/87/73/603018773.db2.gz GSUCKLIRFMFBTR-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM Cc1cccnc1CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740194467 603026875 /nfs/dbraw/zinc/02/68/75/603026875.db2.gz RRSSLNZTEUBNQH-UHFFFAOYSA-N -1 0 306.322 -0.172 20 0 DBADRM O=C([O-])N1CCC[C@H](C(=O)N2CCO[C@H](Cn3cncn3)C2)C1 ZINC000738643090 603027404 /nfs/dbraw/zinc/02/74/04/603027404.db2.gz UVTDSHBSQKRSMA-RYUDHWBXSA-N -1 0 323.353 -0.105 20 0 DBADRM CC[C@@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C[C@@H](C)O1 ZINC000739263684 603028602 /nfs/dbraw/zinc/02/86/02/603028602.db2.gz DRPPSLPKHNUXHO-GHMZBOCLSA-N -1 0 313.354 -0.166 20 0 DBADRM C[C@H](O)C1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739039666 603029976 /nfs/dbraw/zinc/02/99/76/603029976.db2.gz RQGRAWKSAPTUDA-JTQLQIEISA-N -1 0 313.354 -0.572 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)NCCN1C(=O)CCC1=O ZINC000740015137 603030131 /nfs/dbraw/zinc/03/01/31/603030131.db2.gz DYVQOYWQNMPMKL-MRVPVSSYSA-N -1 0 317.367 -0.359 20 0 DBADRM C[C@H](O)C[C@H](C)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739038307 603031889 /nfs/dbraw/zinc/03/18/89/603031889.db2.gz PBISRHGGISVENO-UWVGGRQHSA-N -1 0 301.343 -0.668 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)NCCN1C(=O)CCC1=O ZINC000739150445 603037678 /nfs/dbraw/zinc/03/76/78/603037678.db2.gz ABTRXBODGLGVPD-VIFPVBQESA-N -1 0 312.326 -0.471 20 0 DBADRM O=C([O-])NC1CCN(C(=O)NCCN2C(=O)CCC2=O)CC1 ZINC000740588105 603038434 /nfs/dbraw/zinc/03/84/34/603038434.db2.gz OHHCKSCCMWVQSG-UHFFFAOYSA-N -1 0 312.326 -0.423 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000739992377 603039795 /nfs/dbraw/zinc/03/97/95/603039795.db2.gz QTRNYSFHFXBNJL-VHSXEESVSA-N -1 0 319.383 -0.427 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@H]2CCC[C@H]2NC(=O)[O-])CC1 ZINC000740334221 603042007 /nfs/dbraw/zinc/04/20/07/603042007.db2.gz LORIXZGMNLHCFD-WDEREUQCSA-N -1 0 312.370 -0.558 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)NCCCN(C)C(=O)[O-])CCO1 ZINC000738548781 603044125 /nfs/dbraw/zinc/04/41/25/603044125.db2.gz BPZMQIBNZIMZMP-NSHDSACASA-N -1 0 316.358 -0.467 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000738992534 603044530 /nfs/dbraw/zinc/04/45/30/603044530.db2.gz ATBCZWQUCSCKIQ-DTWKUNHWSA-N -1 0 309.326 -0.312 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)NCCCNC(=O)[O-])CCO1 ZINC000738551868 603045493 /nfs/dbraw/zinc/04/54/93/603045493.db2.gz QILLEWVNDMBELE-SNVBAGLBSA-N -1 0 302.331 -0.809 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CC1=O ZINC000739827922 603046797 /nfs/dbraw/zinc/04/67/97/603046797.db2.gz ATIQNRXQCSJJFD-MNOVXSKESA-N -1 0 313.354 -0.356 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739814539 603050538 /nfs/dbraw/zinc/05/05/38/603050538.db2.gz SRPXVJMPMAIQGR-QWRGUYRKSA-N -1 0 315.370 -0.014 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CCN(C(=O)[O-])[C@H](C)C2)C1=O ZINC000739813092 603055123 /nfs/dbraw/zinc/05/51/23/603055123.db2.gz VFGSMNQYKHNPNN-NOZJJQNGSA-N -1 0 314.342 -0.415 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738445355 603055352 /nfs/dbraw/zinc/05/53/52/603055352.db2.gz RUWXULAGUOBCBL-VHSXEESVSA-N -1 0 319.383 -0.344 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738445352 603055379 /nfs/dbraw/zinc/05/53/79/603055379.db2.gz RUWXULAGUOBCBL-UWVGGRQHSA-N -1 0 319.383 -0.344 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)C1CCN(C(=O)[O-])CC1 ZINC000738444656 603055388 /nfs/dbraw/zinc/05/53/88/603055388.db2.gz JJISZARXULAEIR-JTQLQIEISA-N -1 0 319.383 -0.344 20 0 DBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)CCCNC(=O)[O-] ZINC000738151265 603056096 /nfs/dbraw/zinc/05/60/96/603056096.db2.gz SUDPUNBVXANCJD-SECBINFHSA-N -1 0 310.397 -0.020 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)CN(C)C(=O)[O-])CC2)n1C ZINC000738931687 603056244 /nfs/dbraw/zinc/05/62/44/603056244.db2.gz LNMXBLHREDZTFZ-UHFFFAOYSA-N -1 0 310.358 -0.622 20 0 DBADRM COCCN(CC(=O)N1CCS(=O)(=O)C[C@@H]1C)C(=O)[O-] ZINC000739822401 603057160 /nfs/dbraw/zinc/05/71/60/603057160.db2.gz JVGAKJZOBNTCFK-VIFPVBQESA-N -1 0 308.356 -0.742 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCC(=O)OCc1ccccc1 ZINC000740379963 603062162 /nfs/dbraw/zinc/06/21/62/603062162.db2.gz UQZGQGSNWPBAQM-NEPJUHHUSA-N -1 0 322.317 -0.041 20 0 DBADRM CN(CC(=O)NC1CCC(NC(=O)[O-])CC1)S(C)(=O)=O ZINC000739624637 603062389 /nfs/dbraw/zinc/06/23/89/603062389.db2.gz RZEVSUYIFKSBEN-UHFFFAOYSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000738993614 603065381 /nfs/dbraw/zinc/06/53/81/603065381.db2.gz DZLLUKZZARWECY-SSDOTTSWSA-N -1 0 304.328 -0.478 20 0 DBADRM NC(=O)c1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000740335828 603066750 /nfs/dbraw/zinc/06/67/50/603066750.db2.gz WRZLRAMGEFKMJP-MNOVXSKESA-N -1 0 307.306 -0.485 20 0 DBADRM NC(=O)c1cc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])ccc1F ZINC000740334530 603067801 /nfs/dbraw/zinc/06/78/01/603067801.db2.gz UKAYCMNFVUTIIR-GMSGAONNSA-N -1 0 311.269 -0.024 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCC(=O)NCc1ccccc1 ZINC000740375811 603070285 /nfs/dbraw/zinc/07/02/85/603070285.db2.gz BQFIMYCTSWOHKZ-VXGBXAGGSA-N -1 0 321.333 -0.468 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)N2CCC[C@@H]2CO)CC1 ZINC000740526807 603071315 /nfs/dbraw/zinc/07/13/15/603071315.db2.gz MKQUDZFOTJULSB-GFCCVEGCSA-N -1 0 314.386 -0.162 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739245456 603071971 /nfs/dbraw/zinc/07/19/71/603071971.db2.gz NDRYGUKAYYFAPF-IVZWLZJFSA-N -1 0 301.343 -0.479 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739245458 603072105 /nfs/dbraw/zinc/07/21/05/603072105.db2.gz NDRYGUKAYYFAPF-LPEHRKFASA-N -1 0 301.343 -0.479 20 0 DBADRM O=C([O-])NC1CCC(NC(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000740555848 603072666 /nfs/dbraw/zinc/07/26/66/603072666.db2.gz BTTFOIOPXLNBKL-UHFFFAOYSA-N -1 0 324.337 -0.378 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)NCCNC(=O)[O-])[C@@H]1c1cccnc1 ZINC000739729118 603074836 /nfs/dbraw/zinc/07/48/36/603074836.db2.gz QRRZLHVGVHUDBF-PWSUYJOCSA-N -1 0 306.322 -0.015 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000740505182 603074939 /nfs/dbraw/zinc/07/49/39/603074939.db2.gz KJDXPDIUJZCPJS-RYUDHWBXSA-N -1 0 312.370 -0.145 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCNC(=O)[O-] ZINC000738704243 603075050 /nfs/dbraw/zinc/07/50/50/603075050.db2.gz FWEWIUYYJVTNMC-RKDXNWHRSA-N -1 0 317.342 -0.260 20 0 DBADRM CC(C)(C)OC(=O)NCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000738715284 603075168 /nfs/dbraw/zinc/07/51/68/603075168.db2.gz SRRFDDLINOREFK-RKDXNWHRSA-N -1 0 317.342 -0.260 20 0 DBADRM CN(CCNC(=O)N1CC[C@H](N2CCOCC2)C1)C(=O)[O-] ZINC000739696058 603075230 /nfs/dbraw/zinc/07/52/30/603075230.db2.gz ZZMSRYYYWPKYEA-NSHDSACASA-N -1 0 300.359 -0.288 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NC1CCN(CC(F)F)CC1 ZINC000740400986 603075486 /nfs/dbraw/zinc/07/54/86/603075486.db2.gz IJZMJYWPTIZHQQ-NXEZZACHSA-N -1 0 321.324 -0.055 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000740609586 603077628 /nfs/dbraw/zinc/07/76/28/603077628.db2.gz JCUWGHFEDBMJII-PSASIEDQSA-N -1 0 319.383 -0.234 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2CCN(C(=O)[O-])CC2(C)C)c1=O ZINC000740274842 603078072 /nfs/dbraw/zinc/07/80/72/603078072.db2.gz DCDUQQJLYCPBRN-UHFFFAOYSA-N -1 0 324.337 -0.852 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CC[C@H](CNC(=O)[O-])C2)n1 ZINC000739778243 603081113 /nfs/dbraw/zinc/08/11/13/603081113.db2.gz BYKNBZODPFGWHU-SECBINFHSA-N -1 0 310.310 -0.423 20 0 DBADRM COCCOC[C@H]1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000829001739 603083673 /nfs/dbraw/zinc/08/36/73/603083673.db2.gz DRMIVEPFWPDHII-NWDGAFQWSA-N -1 0 316.354 -0.123 20 0 DBADRM C[C@@H](CCNS(=O)(=O)N(C)C1CCOCC1)NC(=O)[O-] ZINC000738904160 603083903 /nfs/dbraw/zinc/08/39/03/603083903.db2.gz INSUBNZLXLXYJG-VIFPVBQESA-N -1 0 309.388 -0.022 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739616650 603085401 /nfs/dbraw/zinc/08/54/01/603085401.db2.gz JYEFCCFEGXKOBR-VIFPVBQESA-N -1 0 307.372 -0.316 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NC(C)(C)CNC(=O)[O-] ZINC000739618245 603085649 /nfs/dbraw/zinc/08/56/49/603085649.db2.gz YGWIYMSBAMLSRV-UHFFFAOYSA-N -1 0 309.388 -0.022 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)NCCCN(C)C(=O)[O-])CCO1 ZINC000739471968 603085925 /nfs/dbraw/zinc/08/59/25/603085925.db2.gz GSNVTYSMNCKDQJ-JTQLQIEISA-N -1 0 317.342 -0.040 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739474423 603086313 /nfs/dbraw/zinc/08/63/13/603086313.db2.gz LTMBSFSXFBPOAB-ZJUUUORDSA-N -1 0 315.326 -0.288 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)NCCN1C(=O)CCC1=O)C1CC1 ZINC000740608476 603086518 /nfs/dbraw/zinc/08/65/18/603086518.db2.gz AQBDXOCQDUOIPF-VIFPVBQESA-N -1 0 312.326 -0.519 20 0 DBADRM COCCN(CC(=O)N1CCN(C(=O)C2CC2)CC1)C(=O)[O-] ZINC000739816905 603086924 /nfs/dbraw/zinc/08/69/24/603086924.db2.gz PRJMJXZZGNIBQN-UHFFFAOYSA-N -1 0 313.354 -0.306 20 0 DBADRM COCCN(CC(=O)NCC(C)(C)N1CCOCC1)C(=O)[O-] ZINC000739818956 603087777 /nfs/dbraw/zinc/08/77/77/603087777.db2.gz LZLQFBRLHXTZSK-UHFFFAOYSA-N -1 0 317.386 -0.160 20 0 DBADRM C[C@H]1CN(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CCS1(=O)=O ZINC000739129522 603088307 /nfs/dbraw/zinc/08/83/07/603088307.db2.gz BYRKHXCTMXIXSQ-WPRPVWTQSA-N -1 0 319.383 -0.139 20 0 DBADRM COCCN(CC(=O)Nc1ncc(C(N)=O)s1)C(=O)[O-] ZINC000739826692 603089355 /nfs/dbraw/zinc/08/93/55/603089355.db2.gz VRMOERXVFBSHAG-UHFFFAOYSA-N -1 0 302.312 -0.193 20 0 DBADRM CCOC(=O)CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739472184 603089527 /nfs/dbraw/zinc/08/95/27/603089527.db2.gz UVNOIQZBMPWGRZ-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM COCCN(CC(=O)N1CCC[C@@H]1C(=O)NC1CC1)C(=O)[O-] ZINC000739816873 603089600 /nfs/dbraw/zinc/08/96/00/603089600.db2.gz PGIXTBSFIODGER-LLVKDONJSA-N -1 0 313.354 -0.118 20 0 DBADRM CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739243273 603090091 /nfs/dbraw/zinc/09/00/91/603090091.db2.gz FYQLVAJYMUDONK-AATLWQCWSA-N -1 0 301.343 -0.481 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000739190836 603095598 /nfs/dbraw/zinc/09/55/98/603095598.db2.gz PIASZSOGXBEQHE-SCZZXKLOSA-N -1 0 319.383 -0.139 20 0 DBADRM COCCN(CC(=O)N(C)[C@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000739813272 603101809 /nfs/dbraw/zinc/10/18/09/603101809.db2.gz MMBWNFNMXRBQAP-SECBINFHSA-N -1 0 310.372 -0.496 20 0 DBADRM CCC(CC)[C@@H](O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739251281 603102874 /nfs/dbraw/zinc/10/28/74/603102874.db2.gz ADQCDKNXNZGZTO-NSHDSACASA-N -1 0 315.370 -0.278 20 0 DBADRM Cc1nc(C(=O)N[C@H](CNC(=O)[O-])C2CC2)nn1-c1nc[nH]n1 ZINC000740205810 603104337 /nfs/dbraw/zinc/10/43/37/603104337.db2.gz FENPFULCQAHRCS-MRVPVSSYSA-N -1 0 320.313 -0.530 20 0 DBADRM O=C([O-])N1CCN(CC(=O)Nc2cccc(CO)c2)C(=O)C1 ZINC000740371448 603105586 /nfs/dbraw/zinc/10/55/86/603105586.db2.gz YKRNHTYBAIRDNT-UHFFFAOYSA-N -1 0 307.306 -0.060 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000738126772 603107090 /nfs/dbraw/zinc/10/70/90/603107090.db2.gz KHHARGNBVKZBSL-MRVPVSSYSA-N -1 0 314.385 -0.907 20 0 DBADRM Cn1ccc(C(=O)COC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000740289133 603107907 /nfs/dbraw/zinc/10/79/07/603107907.db2.gz GHFLVFURNWOUHM-UHFFFAOYSA-N -1 0 323.305 -0.427 20 0 DBADRM CCOC(=O)N1CCC(S(=O)(=O)NCCNC(=O)[O-])CC1 ZINC000827329193 603108331 /nfs/dbraw/zinc/10/83/31/603108331.db2.gz UIPHDERFMBHJKV-UHFFFAOYSA-N -1 0 323.371 -0.206 20 0 DBADRM COCCN(CC(=O)N1CCCC[C@@H]1CC(N)=O)C(=O)[O-] ZINC000739818636 603109929 /nfs/dbraw/zinc/10/99/29/603109929.db2.gz YPCZFHSCKACCFA-SNVBAGLBSA-N -1 0 301.343 -0.131 20 0 DBADRM Cn1ccc(COC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1=O ZINC000740295080 603111952 /nfs/dbraw/zinc/11/19/52/603111952.db2.gz VYIVOOXODMUJOC-UHFFFAOYSA-N -1 0 323.305 -0.749 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739516688 603113670 /nfs/dbraw/zinc/11/36/70/603113670.db2.gz UANJGXKBCYXPHA-IUCAKERBSA-N -1 0 308.356 -0.095 20 0 DBADRM COC(=O)CCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739761554 603113947 /nfs/dbraw/zinc/11/39/47/603113947.db2.gz NZXZRANFRBUNBR-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM COC1(C(=O)N[C@H]2CCN(C(N)=O)C2)CCN(C(=O)[O-])CC1 ZINC000739800297 603116850 /nfs/dbraw/zinc/11/68/50/603116850.db2.gz WTDNBEXYRCGZSY-VIFPVBQESA-N -1 0 314.342 -0.585 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)OCC(=O)N1CCOCC1 ZINC000740584373 603120002 /nfs/dbraw/zinc/12/00/02/603120002.db2.gz YWTLIXSCDRKRDF-NXEZZACHSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)CCC(=O)N1CCOCC1 ZINC000832537722 603120821 /nfs/dbraw/zinc/12/08/21/603120821.db2.gz DAQKQJDKTBEXPL-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000738951116 603125385 /nfs/dbraw/zinc/12/53/85/603125385.db2.gz PDJBAOZVVVXEBN-IONNQARKSA-N -1 0 307.372 -0.235 20 0 DBADRM COC(=O)[C@H](C)NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739774183 603127784 /nfs/dbraw/zinc/12/77/84/603127784.db2.gz NHMDLTDQRHDWTM-VIFPVBQESA-N -1 0 301.343 -0.262 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)N[C@@H]1CCc2ncnn2C1)C1CC1 ZINC000740612223 603128682 /nfs/dbraw/zinc/12/86/82/603128682.db2.gz MHCNNHNYZBXQNC-NXEZZACHSA-N -1 0 308.342 -0.062 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O)C(=O)[O-] ZINC000828198733 603142110 /nfs/dbraw/zinc/14/21/10/603142110.db2.gz JWSNSYNFMPGGKQ-JTQLQIEISA-N -1 0 324.337 -0.852 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)CN1CCC(=O)NC1=O)C(=O)[O-] ZINC000828191480 603143986 /nfs/dbraw/zinc/14/39/86/603143986.db2.gz IJWITQLKJHWZCA-VIFPVBQESA-N -1 0 312.326 -0.471 20 0 DBADRM Cn1cc(-c2noc(CN3CCN(C(=O)[O-])CC3=O)n2)cn1 ZINC000740281579 603146888 /nfs/dbraw/zinc/14/68/88/603146888.db2.gz UJPSKQHTUPSLMH-UHFFFAOYSA-N -1 0 306.282 -0.208 20 0 DBADRM CN(CC(=O)OC[C@@H]1CCCCN1C(=O)[O-])S(C)(=O)=O ZINC000739631818 603147229 /nfs/dbraw/zinc/14/72/29/603147229.db2.gz XGTOVBXMGIQOKR-VIFPVBQESA-N -1 0 308.356 -0.047 20 0 DBADRM CCCCn1nnnc1COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739346288 603148361 /nfs/dbraw/zinc/14/83/61/603148361.db2.gz BEIUWAGTQWJNRV-DTWKUNHWSA-N -1 0 313.314 -0.370 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)NCc1ccco1 ZINC000740379947 603150545 /nfs/dbraw/zinc/15/05/45/603150545.db2.gz VJLCBVREIYYKAG-SCZZXKLOSA-N -1 0 312.278 -0.448 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)NCc1ccco1 ZINC000740379949 603150830 /nfs/dbraw/zinc/15/08/30/603150830.db2.gz VJLCBVREIYYKAG-WCBMZHEXSA-N -1 0 312.278 -0.448 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1CCN(C(=O)[O-])CC1 ZINC000738127743 603155954 /nfs/dbraw/zinc/15/59/54/603155954.db2.gz VCGXFLLSBZCWRN-UHFFFAOYSA-N -1 0 314.385 -0.954 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)N1CCCCC1 ZINC000740723713 603157556 /nfs/dbraw/zinc/15/75/56/603157556.db2.gz XYCHHKFXPMERGH-VHSXEESVSA-N -1 0 300.311 -0.345 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)NCC(F)(F)F ZINC000740378037 603157682 /nfs/dbraw/zinc/15/76/82/603157682.db2.gz NRSHGUSSDQPUQM-RITPCOANSA-N -1 0 314.216 -0.679 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NCc1ccccc1 ZINC000740380297 603160541 /nfs/dbraw/zinc/16/05/41/603160541.db2.gz XVZXRQGBOSFFSP-RYUDHWBXSA-N -1 0 322.317 -0.041 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)NCc1ccccc1 ZINC000740380295 603160594 /nfs/dbraw/zinc/16/05/94/603160594.db2.gz XVZXRQGBOSFFSP-NWDGAFQWSA-N -1 0 322.317 -0.041 20 0 DBADRM Cc1cc(NC(=O)COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])no1 ZINC000740083892 603163093 /nfs/dbraw/zinc/16/30/93/603163093.db2.gz HTIWNOVFSNGQCW-YUMQZZPRSA-N -1 0 313.266 -0.422 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)CCn1cc[nH]c(=O)c1=O)C(=O)[O-] ZINC000828192609 603163205 /nfs/dbraw/zinc/16/32/05/603163205.db2.gz VTBAJPQLNOFTRF-JTQLQIEISA-N -1 0 324.337 -0.473 20 0 DBADRM CC(C)(C(=O)N1CCn2cnnc2C1)N1CCN(C(=O)[O-])CC1 ZINC000738648309 603177780 /nfs/dbraw/zinc/17/77/80/603177780.db2.gz JSIAVPWKODFZAF-UHFFFAOYSA-N -1 0 322.369 -0.306 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC000740342586 603187324 /nfs/dbraw/zinc/18/73/24/603187324.db2.gz PRWYYQSGDWYQSK-YUMQZZPRSA-N -1 0 323.396 -0.681 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739517424 603189263 /nfs/dbraw/zinc/18/92/63/603189263.db2.gz XDGOUSKEBATDRI-ZJUUUORDSA-N -1 0 321.399 -0.132 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000739677680 603190190 /nfs/dbraw/zinc/19/01/90/603190190.db2.gz IIAUWEYSLYXRMW-UHFFFAOYSA-N -1 0 322.325 -0.754 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCc1nnc2n1CCCC2 ZINC000740452768 603190374 /nfs/dbraw/zinc/19/03/74/603190374.db2.gz QSLPZNWDUNRSNX-IUCAKERBSA-N -1 0 309.326 -0.656 20 0 DBADRM CN(CCNC(=O)CN1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC000739690822 603191109 /nfs/dbraw/zinc/19/11/09/603191109.db2.gz BCZUJRSGGVNPGF-UHFFFAOYSA-N -1 0 321.381 -0.070 20 0 DBADRM Cc1ccc(C(=O)NCCN(C)C(=O)[O-])cc1S(N)(=O)=O ZINC000740107538 603191865 /nfs/dbraw/zinc/19/18/65/603191865.db2.gz QBNZOKYCLIIJPC-UHFFFAOYSA-N -1 0 315.351 -0.018 20 0 DBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC000740658522 603195425 /nfs/dbraw/zinc/19/54/25/603195425.db2.gz LWJSJPSSYWTWMH-JTQLQIEISA-N -1 0 324.337 -0.161 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2COCCN2C(=O)[O-])CC1=O ZINC000825861162 603196764 /nfs/dbraw/zinc/19/67/64/603196764.db2.gz PNCKXXMTSCCRBV-ZNSHCXBVSA-N -1 0 311.338 -0.509 20 0 DBADRM COCCN(CC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)C(=O)[O-] ZINC000828976169 603197694 /nfs/dbraw/zinc/19/76/94/603197694.db2.gz JLIHRUYGPSBDPO-HBNTYKKESA-N -1 0 313.354 -0.262 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000825851828 603206611 /nfs/dbraw/zinc/20/66/11/603206611.db2.gz JNGOPOTXBWAQKQ-QXFUBDJGSA-N -1 0 309.326 -0.314 20 0 DBADRM Cc1nc(C)n(C[C@H]2CN(C(=O)CCNC(=O)[O-])CCO2)n1 ZINC000830733783 603219689 /nfs/dbraw/zinc/21/96/89/603219689.db2.gz JJCKHDRPLCJFEW-LLVKDONJSA-N -1 0 311.342 -0.220 20 0 DBADRM COCC(=O)NC1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739805046 603221202 /nfs/dbraw/zinc/22/12/02/603221202.db2.gz KCOXJCBVKNVAOM-SNVBAGLBSA-N -1 0 313.354 -0.260 20 0 DBADRM CCN(CC(=O)N1CCN(Cc2nnc(C)[nH]2)CC1)C(=O)[O-] ZINC000739394836 603225860 /nfs/dbraw/zinc/22/58/60/603225860.db2.gz UWYQTHCVDYUXJZ-UHFFFAOYSA-N -1 0 310.358 -0.243 20 0 DBADRM COCCNC(=O)CNC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739831820 603234119 /nfs/dbraw/zinc/23/41/19/603234119.db2.gz PNCWRXAIVZAUOB-NXEZZACHSA-N -1 0 301.343 -0.308 20 0 DBADRM COC(=O)c1nc2n(n1)CCCN2C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739791417 603235033 /nfs/dbraw/zinc/23/50/33/603235033.db2.gz HJOOZRNOPIIQSX-MRVPVSSYSA-N -1 0 323.309 -0.199 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@@H]3CCN(C(=O)[O-])C3)C2)C1=O ZINC000739730427 603237128 /nfs/dbraw/zinc/23/71/28/603237128.db2.gz URGAXEXAMZHRBI-OQPBUACISA-N -1 0 310.310 -0.861 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)NC(C)(C)CNC(=O)[O-])C[C@H](C)O1 ZINC000739196137 603237157 /nfs/dbraw/zinc/23/71/57/603237157.db2.gz VEYNDHVTRCXAAY-DTORHVGOSA-N -1 0 309.388 -0.024 20 0 DBADRM CS(=O)(=O)CCNC(=S)N1CCC[C@@H]1CNC(=O)[O-] ZINC000829674737 603238153 /nfs/dbraw/zinc/23/81/53/603238153.db2.gz SBISLXSUTOWFPG-MRVPVSSYSA-N -1 0 309.413 -0.363 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000824369793 603240123 /nfs/dbraw/zinc/24/01/23/603240123.db2.gz VIFSLJROFSWWBW-NSHDSACASA-N -1 0 314.386 -0.299 20 0 DBADRM COCCN(CC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C)C(=O)[O-] ZINC000739819560 603243327 /nfs/dbraw/zinc/24/33/27/603243327.db2.gz CHTZOHCHAJNGDN-VHSXEESVSA-N -1 0 322.383 -0.353 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000737608024 603243416 /nfs/dbraw/zinc/24/34/16/603243416.db2.gz MBWIAVCHZQQPBP-ZETCQYMHSA-N -1 0 320.327 -0.155 20 0 DBADRM COCCN(CC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C)C(=O)[O-] ZINC000739819562 603243464 /nfs/dbraw/zinc/24/34/64/603243464.db2.gz CHTZOHCHAJNGDN-ZJUUUORDSA-N -1 0 322.383 -0.353 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000828095983 603247439 /nfs/dbraw/zinc/24/74/39/603247439.db2.gz QVFDVWFLQVZTCE-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM CN(C1CC1)S(=O)(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739616470 603260003 /nfs/dbraw/zinc/26/00/03/603260003.db2.gz GKGRBPPHFKVNFF-UHFFFAOYSA-N -1 0 306.388 -0.789 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739520431 603277145 /nfs/dbraw/zinc/27/71/45/603277145.db2.gz YEUSPFYQQYLPGG-JTQLQIEISA-N -1 0 321.399 -0.226 20 0 DBADRM CCNC(=O)COC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739463898 603277851 /nfs/dbraw/zinc/27/78/51/603277851.db2.gz SZUSAOGRONPAAT-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000738994240 603281315 /nfs/dbraw/zinc/28/13/15/603281315.db2.gz JNRPVPHXGLRRSL-PSASIEDQSA-N -1 0 309.326 -0.312 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000739985593 603285612 /nfs/dbraw/zinc/28/56/12/603285612.db2.gz UNHBBKLNBCIPLT-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000739679147 603285672 /nfs/dbraw/zinc/28/56/72/603285672.db2.gz ZMBQVKQUXZIYBF-UHFFFAOYSA-N -1 0 315.330 -0.773 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739514729 603293300 /nfs/dbraw/zinc/29/33/00/603293300.db2.gz ASHUJSFXCBNVBJ-JTQLQIEISA-N -1 0 319.383 -0.520 20 0 DBADRM COCCN(CC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C)C(=O)[O-] ZINC000739824465 603294535 /nfs/dbraw/zinc/29/45/35/603294535.db2.gz YBGHCSUBMWOVBA-AUKWLOTRSA-N -1 0 306.384 -0.019 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000739292942 603298495 /nfs/dbraw/zinc/29/84/95/603298495.db2.gz VWBDMKGJWBDQLW-QWHCGFSZSA-N -1 0 312.326 -0.377 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000739292941 603298500 /nfs/dbraw/zinc/29/85/00/603298500.db2.gz VWBDMKGJWBDQLW-OLZOCXBDSA-N -1 0 312.326 -0.377 20 0 DBADRM O=C([O-])N1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000740732138 603299817 /nfs/dbraw/zinc/29/98/17/603299817.db2.gz HAODDMGIFUSMMF-SDBXPKJASA-N -1 0 310.310 -0.671 20 0 DBADRM O=C([O-])N1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000740732135 603299896 /nfs/dbraw/zinc/29/98/96/603299896.db2.gz HAODDMGIFUSMMF-AMIZOPFISA-N -1 0 310.310 -0.671 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000737543893 603302446 /nfs/dbraw/zinc/30/24/46/603302446.db2.gz UUBONYQDKYISGW-SECBINFHSA-N -1 0 324.341 -0.107 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000737586824 603303496 /nfs/dbraw/zinc/30/34/96/603303496.db2.gz JKGWGOXLKDLJOY-ZJUUUORDSA-N -1 0 315.326 -0.288 20 0 DBADRM Cc1nc(C(=O)N(C)CCCNC(=O)[O-])nn1-c1nc[nH]n1 ZINC000740205922 603311199 /nfs/dbraw/zinc/31/11/99/603311199.db2.gz FKOMSOULSTYNNI-UHFFFAOYSA-N -1 0 308.302 -0.576 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000740340759 603311884 /nfs/dbraw/zinc/31/18/84/603311884.db2.gz HNVKAZIKFJAQQT-RKDXNWHRSA-N -1 0 305.356 -0.734 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N1CCC(NC(=O)[O-])CC1 ZINC000739982307 603317058 /nfs/dbraw/zinc/31/70/58/603317058.db2.gz DPDYBVKIDKKCMI-UHFFFAOYSA-N -1 0 314.385 -0.907 20 0 DBADRM O=C([O-])N1CC[C@H](C(=O)N2CCO[C@@H](Cn3cncn3)C2)C1 ZINC000740491733 603317505 /nfs/dbraw/zinc/31/75/05/603317505.db2.gz MOJHXBSOTZTHIE-WDEREUQCSA-N -1 0 309.326 -0.495 20 0 DBADRM NC(=O)C1(CNC(=O)C[C@H]2CCCN2C(=O)[O-])CCOCC1 ZINC000831167095 603320003 /nfs/dbraw/zinc/32/00/03/603320003.db2.gz IRGBKKGDWGZBKT-SNVBAGLBSA-N -1 0 313.354 -0.083 20 0 DBADRM C[C@H](CC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)NC(=O)[O-] ZINC000824582103 603327675 /nfs/dbraw/zinc/32/76/75/603327675.db2.gz NRPDUYFHSKOKBQ-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H](CC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)NC(=O)[O-] ZINC000824582105 603327934 /nfs/dbraw/zinc/32/79/34/603327934.db2.gz NRPDUYFHSKOKBQ-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000827476406 603337913 /nfs/dbraw/zinc/33/79/13/603337913.db2.gz YDXWSZCGYAQKLV-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739125705 603347884 /nfs/dbraw/zinc/34/78/84/603347884.db2.gz NMGKSHNIYIABSP-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM COCC(=O)N1CCN(C(=O)CN(CC2CC2)C(=O)[O-])CC1 ZINC000828881197 603348919 /nfs/dbraw/zinc/34/89/19/603348919.db2.gz UDNWNOBZDAADTC-UHFFFAOYSA-N -1 0 313.354 -0.306 20 0 DBADRM C[C@H]1CN(CC(=O)NCC(=O)NC(C)(C)C)CCN1C(=O)[O-] ZINC000739171447 603358706 /nfs/dbraw/zinc/35/87/06/603358706.db2.gz IJTINYDRIZZNOY-JTQLQIEISA-N -1 0 314.386 -0.299 20 0 DBADRM C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[C@H]1NC(=O)[O-] ZINC000739127668 603360094 /nfs/dbraw/zinc/36/00/94/603360094.db2.gz SZCYNFILVBKJFJ-NXEZZACHSA-N -1 0 324.337 -0.569 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739138120 603377019 /nfs/dbraw/zinc/37/70/19/603377019.db2.gz VWAVZLMRZJZEQH-UWVGGRQHSA-N -1 0 319.383 -0.474 20 0 DBADRM CCN(CC(=O)N1CCC(NS(C)(=O)=O)CC1)C(=O)[O-] ZINC000739391982 603377697 /nfs/dbraw/zinc/37/76/97/603377697.db2.gz YUDJIWHPQZRRTR-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738555519 603381243 /nfs/dbraw/zinc/38/12/43/603381243.db2.gz JYHQSOUIHXZBBW-UHFFFAOYSA-N -1 0 308.294 -0.033 20 0 DBADRM C[S@@](=O)c1cccc(NC(=O)C(=O)NCCNC(=O)[O-])c1 ZINC000740004306 603402552 /nfs/dbraw/zinc/40/25/52/603402552.db2.gz FIUDUUITHNIYNE-OAQYLSRUSA-N -1 0 313.335 -0.254 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(C)n2)C1 ZINC000739575639 603407967 /nfs/dbraw/zinc/40/79/67/603407967.db2.gz LTZTWXUUKUCZDO-SECBINFHSA-N -1 0 309.326 -0.041 20 0 DBADRM COCCN1C[C@@H](C(=O)NC[C@@H](NC(=O)[O-])C(C)C)CC1=O ZINC000739831075 603410298 /nfs/dbraw/zinc/41/02/98/603410298.db2.gz YDRMOLIPSHDEME-WDEREUQCSA-N -1 0 315.370 -0.110 20 0 DBADRM CC(C)[C@@H](NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C(N)=O ZINC000738789708 603413606 /nfs/dbraw/zinc/41/36/06/603413606.db2.gz NVFRYUFHYHFBQA-MWLCHTKSSA-N -1 0 301.343 -0.229 20 0 DBADRM CC[C@H]1C(=O)NCCN1C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739269588 603414405 /nfs/dbraw/zinc/41/44/05/603414405.db2.gz XUYWPZRSDNBVJR-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@H]2CCCN2C(=O)[O-])n(C)n1 ZINC000740077995 603417009 /nfs/dbraw/zinc/41/70/09/603417009.db2.gz CNOVGUNBHGRXSX-SECBINFHSA-N -1 0 309.326 -0.074 20 0 DBADRM CCN(CC(=O)N1CCCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000739390396 603422416 /nfs/dbraw/zinc/42/24/16/603422416.db2.gz PITRXEHEXWSMMN-UHFFFAOYSA-N -1 0 307.372 -0.520 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)c1C ZINC000740034608 603426130 /nfs/dbraw/zinc/42/61/30/603426130.db2.gz YBUHVYZCSHDPEB-UHFFFAOYSA-N -1 0 323.353 -0.079 20 0 DBADRM CCN(CC(=O)NCCCN1CCCS1(=O)=O)C(=O)[O-] ZINC000739392571 603430117 /nfs/dbraw/zinc/43/01/17/603430117.db2.gz JZHGYRYABMNJHT-UHFFFAOYSA-N -1 0 307.372 -0.472 20 0 DBADRM Cc1nn(C)c(C)c1OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740247509 603434068 /nfs/dbraw/zinc/43/40/68/603434068.db2.gz VUKKOQYORAREFO-UHFFFAOYSA-N -1 0 310.310 -0.235 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000832247455 603439775 /nfs/dbraw/zinc/43/97/75/603439775.db2.gz PMAXKLYBSAPEHL-RKDXNWHRSA-N -1 0 324.337 -0.377 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1cc(C(N)=O)c[nH]1 ZINC000828316740 603442181 /nfs/dbraw/zinc/44/21/81/603442181.db2.gz UISPFDSGMCOHFJ-UHFFFAOYSA-N -1 0 323.353 -0.519 20 0 DBADRM O=C([O-])N[C@H]1CC[C@H](C(=O)NCCC(=O)N2CCOCC2)C1 ZINC000832261968 603447158 /nfs/dbraw/zinc/44/71/58/603447158.db2.gz HIZDUANRIVTFQB-QWRGUYRKSA-N -1 0 313.354 -0.212 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)COC2CN(C(=O)[O-])C2)C[C@@H]1C ZINC000828638687 603453966 /nfs/dbraw/zinc/45/39/66/603453966.db2.gz BWFXHUPFRHHYPU-WCBMZHEXSA-N -1 0 300.311 -0.367 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)NCC(C)(C)NC(=O)[O-])CCO1 ZINC000823580026 603456738 /nfs/dbraw/zinc/45/67/38/603456738.db2.gz MOHPBXBHCKTSIA-JTQLQIEISA-N -1 0 316.358 -0.421 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000829689133 603457898 /nfs/dbraw/zinc/45/78/98/603457898.db2.gz ZOGFPYXRSNIIEF-RKDXNWHRSA-N -1 0 307.372 -0.522 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)NCC(C)(C)NC(=O)[O-])CCO1 ZINC000823580027 603457971 /nfs/dbraw/zinc/45/79/71/603457971.db2.gz MOHPBXBHCKTSIA-SNVBAGLBSA-N -1 0 316.358 -0.421 20 0 DBADRM NC(=O)C1(CNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CCOCC1 ZINC000831167413 603472587 /nfs/dbraw/zinc/47/25/87/603472587.db2.gz KNOOPBIASTWKQZ-VHSXEESVSA-N -1 0 313.354 -0.179 20 0 DBADRM COC(=O)c1cn(CC(=O)NC[C@H]2CCCN2C(=O)[O-])nn1 ZINC000828804827 603487438 /nfs/dbraw/zinc/48/74/38/603487438.db2.gz RTSYPOVKXUQIDB-MRVPVSSYSA-N -1 0 311.298 -0.677 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCNC(=O)[O-])oc1C ZINC000828761233 603492247 /nfs/dbraw/zinc/49/22/47/603492247.db2.gz QRXFTPSLNVTZKW-UHFFFAOYSA-N -1 0 306.296 -0.079 20 0 DBADRM C[C@@H](Cc1ccncc1)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000825029821 603498036 /nfs/dbraw/zinc/49/80/36/603498036.db2.gz CKKSEZZZGMFVSB-NSHDSACASA-N -1 0 320.349 -0.049 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)CC2SC(=N)NC2=O)C1 ZINC000827836073 603509534 /nfs/dbraw/zinc/50/95/34/603509534.db2.gz UJZQTGFBGPUARO-BQBZGAKWSA-N -1 0 300.340 -0.246 20 0 DBADRM CN1CCN(C(=O)COC[C@H]2CCCO2)[C@H](CNC(=O)[O-])C1 ZINC000828500202 603510719 /nfs/dbraw/zinc/51/07/19/603510719.db2.gz GWMIGZKNTQBSPW-VXGBXAGGSA-N -1 0 315.370 -0.408 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000824431807 603514202 /nfs/dbraw/zinc/51/42/02/603514202.db2.gz RVQOIMOOGKETFY-JTQLQIEISA-N -1 0 321.399 -0.780 20 0 DBADRM CN1CCN(C(=O)CNC(=O)C(C)(C)C)[C@@H](CNC(=O)[O-])C1 ZINC000828501071 603516099 /nfs/dbraw/zinc/51/60/99/603516099.db2.gz UZFBFPHWUWWAEQ-JTQLQIEISA-N -1 0 314.386 -0.441 20 0 DBADRM CN1CCN(C(=O)c2ccc(C(N)=O)cc2)[C@H](CNC(=O)[O-])C1 ZINC000828513580 603522574 /nfs/dbraw/zinc/52/25/74/603522574.db2.gz MHIIPPPKEAPUPW-GFCCVEGCSA-N -1 0 320.349 -0.191 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)CN(CC2CC2)C(=O)[O-])C1 ZINC000831240397 603524498 /nfs/dbraw/zinc/52/44/98/603524498.db2.gz NOSRHUOGFZNLID-SNVBAGLBSA-N -1 0 319.383 -0.344 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000826742805 603524778 /nfs/dbraw/zinc/52/47/78/603524778.db2.gz FJAJQFADBVDXHH-DTWKUNHWSA-N -1 0 307.372 -0.298 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCc2ccon2)CC1 ZINC000831616231 603527041 /nfs/dbraw/zinc/52/70/41/603527041.db2.gz QKYDXGMURGALLM-UHFFFAOYSA-N -1 0 311.298 -0.704 20 0 DBADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000832269738 603534567 /nfs/dbraw/zinc/53/45/67/603534567.db2.gz LNUQVGJCRKHFDK-ZJUUUORDSA-N -1 0 319.383 -0.426 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827476523 603535393 /nfs/dbraw/zinc/53/53/93/603535393.db2.gz ZWMOXCFCDVPQQS-UWVGGRQHSA-N -1 0 321.399 -0.132 20 0 DBADRM COCCn1nc(C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)ccc1=O ZINC000829036662 603538309 /nfs/dbraw/zinc/53/83/09/603538309.db2.gz XZQADGSYMHLQJP-SNVBAGLBSA-N -1 0 324.337 -0.286 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@H]3CC[C@H](NC(=O)[O-])C3)C2)C1=O ZINC000828445773 603543053 /nfs/dbraw/zinc/54/30/53/603543053.db2.gz OMSLWICHQFBZNI-FZNYLWTLSA-N -1 0 324.337 -0.425 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)Cn2cnc3c2ncnc3N)C1 ZINC000827846232 603543167 /nfs/dbraw/zinc/54/31/67/603543167.db2.gz HFHNIMWSMBCLEU-QMMMGPOBSA-N -1 0 319.325 -0.381 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)nn1 ZINC000828805130 603543727 /nfs/dbraw/zinc/54/37/27/603543727.db2.gz VICRWXSHCJOJEB-QMMMGPOBSA-N -1 0 311.298 -0.725 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000824020871 603549698 /nfs/dbraw/zinc/54/96/98/603549698.db2.gz YLLKSHWWKDIMPK-UHFFFAOYSA-N -1 0 300.359 -0.559 20 0 DBADRM CN(CC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1)C(=O)[O-] ZINC000828091091 603552254 /nfs/dbraw/zinc/55/22/54/603552254.db2.gz UMAHYTDVYUMUQY-ZDUSSCGKSA-N -1 0 312.326 -0.567 20 0 DBADRM CCOC(=O)C1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000827295846 603554064 /nfs/dbraw/zinc/55/40/64/603554064.db2.gz DBTABUBFABAONH-MNOVXSKESA-N -1 0 314.338 -0.099 20 0 DBADRM O=C(CN1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1)NC1CC1 ZINC000831484733 603556499 /nfs/dbraw/zinc/55/64/99/603556499.db2.gz JHNHKOHFNXPSTF-UHFFFAOYSA-N -1 0 324.381 -0.591 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)CC(C)(C)NC(=O)[O-] ZINC000828162978 603561989 /nfs/dbraw/zinc/56/19/89/603561989.db2.gz USLJHEYDTKJNED-NSHDSACASA-N -1 0 317.386 -0.426 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)CC1CN(C(=O)[O-])C1 ZINC000828950748 603566833 /nfs/dbraw/zinc/56/68/33/603566833.db2.gz ROUHYKGRALMDCE-UHFFFAOYSA-N -1 0 301.343 -0.403 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000823833226 603575955 /nfs/dbraw/zinc/57/59/55/603575955.db2.gz MJSOEZNODIROCI-RKDXNWHRSA-N -1 0 322.383 -0.571 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)NCCCNC(=O)[O-] ZINC000828809345 603578754 /nfs/dbraw/zinc/57/87/54/603578754.db2.gz CYGOWQLEWZNGNA-UHFFFAOYSA-N -1 0 323.352 -0.134 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[O-] ZINC000828580145 603584278 /nfs/dbraw/zinc/58/42/78/603584278.db2.gz VWCHBAZUVDXIHD-VHSXEESVSA-N -1 0 319.383 -0.331 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C[C@H](C)NC(=O)[O-] ZINC000828579814 603584354 /nfs/dbraw/zinc/58/43/54/603584354.db2.gz QQZIFRREALBTPQ-DTWKUNHWSA-N -1 0 307.372 -0.427 20 0 DBADRM CNS(=O)(=O)CC(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C ZINC000828573064 603594760 /nfs/dbraw/zinc/59/47/60/603594760.db2.gz MKHNTRPYFYAQRY-SECBINFHSA-N -1 0 309.388 -0.324 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000828572998 603594771 /nfs/dbraw/zinc/59/47/71/603594771.db2.gz LWQCYAQPIJDJOP-RKDXNWHRSA-N -1 0 307.372 -0.522 20 0 DBADRM CNS(=O)(=O)CC(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C ZINC000828573065 603594841 /nfs/dbraw/zinc/59/48/41/603594841.db2.gz MKHNTRPYFYAQRY-VIFPVBQESA-N -1 0 309.388 -0.324 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)c1=O ZINC000830964207 603595106 /nfs/dbraw/zinc/59/51/06/603595106.db2.gz QDBAKAZDDTXEJD-SECBINFHSA-N -1 0 324.337 -0.004 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)[O-] ZINC000828573579 603595619 /nfs/dbraw/zinc/59/56/19/603595619.db2.gz UCLFXQUSHKUOBQ-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM CC(C)OCCS(=O)(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000824404643 603596035 /nfs/dbraw/zinc/59/60/35/603596035.db2.gz KLBMEMCCYJBWFE-LLVKDONJSA-N -1 0 323.415 -0.375 20 0 DBADRM O=C([O-])N1CCN2C(=O)N(CN3C[C@H]4CC[C@@H](C3)O4)C[C@@H]2C1 ZINC000832041795 603608451 /nfs/dbraw/zinc/60/84/51/603608451.db2.gz AWCKMXZENVOJPA-SDDRHHMPSA-N -1 0 310.354 -0.093 20 0 DBADRM CC1(C)OC[C@H](COC(=O)CN2CCN(C(=O)[O-])CC2=O)O1 ZINC000825740106 603615754 /nfs/dbraw/zinc/61/57/54/603615754.db2.gz SVCQUXQTQIBOPT-VIFPVBQESA-N -1 0 316.310 -0.497 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000827852484 603618801 /nfs/dbraw/zinc/61/88/01/603618801.db2.gz PYVFTDJMLKZERD-VHSXEESVSA-N -1 0 319.383 -0.185 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)NC1CN(C(=O)[O-])C1 ZINC000823778935 603622226 /nfs/dbraw/zinc/62/22/26/603622226.db2.gz ORBQSEWCFVFUIC-UHFFFAOYSA-N -1 0 322.387 -0.634 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)C1 ZINC000831199636 603623113 /nfs/dbraw/zinc/62/31/13/603623113.db2.gz FYKJFONAFKBRIL-WCBMZHEXSA-N -1 0 313.310 -0.358 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)OC[C@H]1CCN(C(=O)[O-])C1 ZINC000829683374 603627501 /nfs/dbraw/zinc/62/75/01/603627501.db2.gz QSOAKDXMNQSBAC-UWVGGRQHSA-N -1 0 320.367 -0.047 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)NCC1(C(N)=O)CCOCC1 ZINC000823957184 603629262 /nfs/dbraw/zinc/62/92/62/603629262.db2.gz XRDRHCRHWUVNOA-UHFFFAOYSA-N -1 0 301.343 -0.322 20 0 DBADRM O=C([O-])NC1(C(=O)N2CCNC(=O)C2)Cc2ccccc2C1 ZINC000832155861 603634163 /nfs/dbraw/zinc/63/41/63/603634163.db2.gz RNYZMQGLQYNTHP-UHFFFAOYSA-N -1 0 303.318 -0.250 20 0 DBADRM COC(=O)CCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000828671208 603635220 /nfs/dbraw/zinc/63/52/20/603635220.db2.gz RQQIISRZKDXTBD-VHSXEESVSA-N -1 0 302.327 -0.051 20 0 DBADRM CN(C[C@H]1CCOC1)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000828267169 603638322 /nfs/dbraw/zinc/63/83/22/603638322.db2.gz QFDVILGEGUJNNR-GFCCVEGCSA-N -1 0 314.386 -0.040 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000832247294 603639741 /nfs/dbraw/zinc/63/97/41/603639741.db2.gz OMVNFLKENVGVHH-OTPXZMOZSA-N -1 0 310.310 -0.767 20 0 DBADRM CN(CC(=O)NC(C)(C)C)C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000828102439 603639944 /nfs/dbraw/zinc/63/99/44/603639944.db2.gz KJVVLKULBDQHDL-RKDXNWHRSA-N -1 0 301.343 -0.527 20 0 DBADRM CCN(CC(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O)C(=O)[O-] ZINC000827002459 603640389 /nfs/dbraw/zinc/64/03/89/603640389.db2.gz MIKUSBDCSSQCIE-AMIZOPFISA-N -1 0 312.326 -0.519 20 0 DBADRM CCN(CC(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)C(=O)[O-] ZINC000827002460 603640448 /nfs/dbraw/zinc/64/04/48/603640448.db2.gz MIKUSBDCSSQCIE-ISVAXAHUSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCOCC(F)(F)F ZINC000831694608 603645741 /nfs/dbraw/zinc/64/57/41/603645741.db2.gz WNDKQBXIKOUUKJ-RQJHMYQMSA-N -1 0 300.233 -0.205 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCNC(=O)c1ccco1 ZINC000831689233 603646040 /nfs/dbraw/zinc/64/60/40/603646040.db2.gz MWPMKQJZTZQIOV-IUCAKERBSA-N -1 0 311.294 -0.761 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCNC(=O)c1ccco1 ZINC000831689232 603646124 /nfs/dbraw/zinc/64/61/24/603646124.db2.gz MWPMKQJZTZQIOV-DTWKUNHWSA-N -1 0 311.294 -0.761 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000828427265 603647404 /nfs/dbraw/zinc/64/74/04/603647404.db2.gz XSSGXLUEZVWKFY-RKDXNWHRSA-N -1 0 309.326 -0.704 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)C(C)(C)CNC(=O)[O-] ZINC000827476027 603648567 /nfs/dbraw/zinc/64/85/67/603648567.db2.gz RWDQZPKBINCUNR-UHFFFAOYSA-N -1 0 309.388 -0.274 20 0 DBADRM Cn1cnnc1C1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000831045879 603652433 /nfs/dbraw/zinc/65/24/33/603652433.db2.gz CMDRSOHCYKFTHP-MNOVXSKESA-N -1 0 323.353 -0.366 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCN(c2cnccn2)CC1 ZINC000831273488 603653558 /nfs/dbraw/zinc/65/35/58/603653558.db2.gz RDYXYZMGHYLRMY-MNOVXSKESA-N -1 0 321.337 -0.762 20 0 DBADRM COCCN1C[C@H](C(=O)NCC(C)(C)NC(=O)[O-])CC1=O ZINC000828984615 603656310 /nfs/dbraw/zinc/65/63/10/603656310.db2.gz HAXUVWPSJJYHFH-SECBINFHSA-N -1 0 301.343 -0.356 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825015367 603657035 /nfs/dbraw/zinc/65/70/35/603657035.db2.gz FDMBYROJGPUENZ-IUCAKERBSA-N -1 0 307.372 -0.187 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NCCN2C(=O)CCC2=O)C1 ZINC000827850066 603657681 /nfs/dbraw/zinc/65/76/81/603657681.db2.gz DFONFNPZDJSAFK-SECBINFHSA-N -1 0 312.326 -0.471 20 0 DBADRM NC(=O)c1ccc(F)c(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000831229858 603664760 /nfs/dbraw/zinc/66/47/60/603664760.db2.gz VDMMYCWLTMOIRG-OIBJUYFYSA-N -1 0 311.269 -0.024 20 0 DBADRM CC(C)(CNC(=O)C(C)(C)CNC(=O)[O-])NS(C)(=O)=O ZINC000823900719 603667009 /nfs/dbraw/zinc/66/70/09/603667009.db2.gz UHUOUWUSMKHDMD-UHFFFAOYSA-N -1 0 309.388 -0.276 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)NC(=O)[O-] ZINC000823906910 603668773 /nfs/dbraw/zinc/66/87/73/603668773.db2.gz LODDUJLCBAPZPM-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM CC1(C)CN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CCS1(=O)=O ZINC000825719803 603671768 /nfs/dbraw/zinc/67/17/68/603671768.db2.gz WZWYXEGZDJZOLJ-SECBINFHSA-N -1 0 319.383 -0.043 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)C(C)(C)CNC(=O)[O-] ZINC000828970666 603672427 /nfs/dbraw/zinc/67/24/27/603672427.db2.gz CMXCLNKGORHLMY-UHFFFAOYSA-N -1 0 303.359 -0.157 20 0 DBADRM Cn1nnnc1SCCC(=O)NCC(C)(C)NC(=O)[O-] ZINC000831064290 603673570 /nfs/dbraw/zinc/67/35/70/603673570.db2.gz FFIDCXVKMOFEJJ-UHFFFAOYSA-N -1 0 302.360 -0.145 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000823950405 603676921 /nfs/dbraw/zinc/67/69/21/603676921.db2.gz BNCWULLNSSXHHQ-SNVBAGLBSA-N -1 0 311.342 -0.201 20 0 DBADRM Cc1nnc(S[C@@H]2CN(C(=O)[O-])CCC2=O)n1CC(N)=O ZINC000830894682 603681512 /nfs/dbraw/zinc/68/15/12/603681512.db2.gz XAQUQEFWQPTFHQ-MRVPVSSYSA-N -1 0 313.339 -0.515 20 0 DBADRM CN(C(=O)CC1SC(=N)NC1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827754633 603683018 /nfs/dbraw/zinc/68/30/18/603683018.db2.gz ZRVMGOQVBHKNLZ-RQJHMYQMSA-N -1 0 300.340 -0.246 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000824135714 603683337 /nfs/dbraw/zinc/68/33/37/603683337.db2.gz GQXFFJYIADDLIH-JTQLQIEISA-N -1 0 314.386 -0.313 20 0 DBADRM C[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H]1CNC(=O)[O-] ZINC000825920564 603684108 /nfs/dbraw/zinc/68/41/08/603684108.db2.gz ZDWOINKXGUFVSL-WCBMZHEXSA-N -1 0 324.341 -0.728 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000823580251 603684820 /nfs/dbraw/zinc/68/48/20/603684820.db2.gz QHKRTXRXRYHXSO-UHFFFAOYSA-N -1 0 322.321 -0.355 20 0 DBADRM CN(C(=O)CCCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827750875 603686785 /nfs/dbraw/zinc/68/67/85/603686785.db2.gz BUBLPTGREAGYOQ-SECBINFHSA-N -1 0 312.326 -0.471 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC000737723684 603687577 /nfs/dbraw/zinc/68/75/77/603687577.db2.gz SCYFQRNXHDKYDU-QMMMGPOBSA-N -1 0 312.326 -0.425 20 0 DBADRM COCCN1C[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)CC1=O ZINC000828984425 603689202 /nfs/dbraw/zinc/68/92/02/603689202.db2.gz DVNITEIOBWHORZ-QWRGUYRKSA-N -1 0 313.354 -0.308 20 0 DBADRM C[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)[C@H]1CNC(=O)[O-] ZINC000825904305 603690252 /nfs/dbraw/zinc/69/02/52/603690252.db2.gz DULRGFVSIXHTLB-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM NC(=O)c1nccnc1C(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000831241702 603695951 /nfs/dbraw/zinc/69/59/51/603695951.db2.gz XNOPYGKGEYWEME-MRVPVSSYSA-N -1 0 307.310 -0.305 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)C(C)(C)CNC(=O)[O-])C1 ZINC000827960519 603699747 /nfs/dbraw/zinc/69/97/47/603699747.db2.gz KHAWLUQTGUVVAB-UHFFFAOYSA-N -1 0 301.343 -0.404 20 0 DBADRM CNC(=O)C1CCC(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000828531976 603706399 /nfs/dbraw/zinc/70/63/99/603706399.db2.gz MCTLEIKZUROYRQ-JPPWEJMLSA-N -1 0 313.354 -0.479 20 0 DBADRM C[C@H]1CCCN(CC(=O)N2CCNC(=O)C2)[C@H]1CNC(=O)[O-] ZINC000825918036 603707397 /nfs/dbraw/zinc/70/73/97/603707397.db2.gz BJPPZOTVQKGUEH-QWRGUYRKSA-N -1 0 312.370 -0.687 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000828556053 603712570 /nfs/dbraw/zinc/71/25/70/603712570.db2.gz BJJKHGORZZSHBQ-MRVPVSSYSA-N -1 0 324.341 -0.543 20 0 DBADRM CC(C)(NC(=O)[O-])c1noc(CN2CCN3C(=O)NC[C@H]3C2)n1 ZINC000824029240 603716891 /nfs/dbraw/zinc/71/68/91/603716891.db2.gz AWXKXTQBCUUXPU-QMMMGPOBSA-N -1 0 324.341 -0.218 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000824368590 603719619 /nfs/dbraw/zinc/71/96/19/603719619.db2.gz NODBPFHUTYPFQZ-NSHDSACASA-N -1 0 314.386 -0.347 20 0 DBADRM COC[C@@](C)(NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)OC ZINC000828885718 603724987 /nfs/dbraw/zinc/72/49/87/603724987.db2.gz MHJJTGSITIKEDG-VXGBXAGGSA-N -1 0 306.290 -0.227 20 0 DBADRM NC(=O)c1nccnc1C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000831240640 603725614 /nfs/dbraw/zinc/72/56/14/603725614.db2.gz OOXOMYRLSGKQFK-UHFFFAOYSA-N -1 0 307.310 -0.305 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CC[C@@H](CNC(=O)[O-])C2)n1C ZINC000830887649 603729598 /nfs/dbraw/zinc/72/95/98/603729598.db2.gz PLJXWUNOISZQLV-NSHDSACASA-N -1 0 324.385 -0.329 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCS(C)(=O)=O)CCN1C(=O)[O-] ZINC000826001978 603733424 /nfs/dbraw/zinc/73/34/24/603733424.db2.gz OYOMUCFUZMLOIU-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)C1 ZINC000827823059 603733692 /nfs/dbraw/zinc/73/36/92/603733692.db2.gz QCXDSPMUVMVRBW-ZCFIWIBFSA-N -1 0 311.298 -0.316 20 0 DBADRM CC1(C)CN(C(=O)COCCNC(=O)[O-])CCS1(=O)=O ZINC000825718224 603734837 /nfs/dbraw/zinc/73/48/37/603734837.db2.gz CKBWJKVWGAXKGA-UHFFFAOYSA-N -1 0 308.356 -0.694 20 0 DBADRM COCCN(CC(=O)N1CCS(=O)(=O)C(C)(C)C1)C(=O)[O-] ZINC000828970609 603735923 /nfs/dbraw/zinc/73/59/23/603735923.db2.gz BPLRIUUZSITDPK-UHFFFAOYSA-N -1 0 322.383 -0.352 20 0 DBADRM C[C@@H](O)CC(C)(C)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000825516567 603736165 /nfs/dbraw/zinc/73/61/65/603736165.db2.gz YDHRLQFEXHZIOJ-SNVBAGLBSA-N -1 0 315.370 -0.278 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000831274693 603736298 /nfs/dbraw/zinc/73/62/98/603736298.db2.gz XHXFSNTXASMNBF-VWYCJHECSA-N -1 0 314.338 -0.289 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000828703460 603736863 /nfs/dbraw/zinc/73/68/63/603736863.db2.gz BPAZTHVHTKNWRB-LPEHRKFASA-N -1 0 315.326 -0.553 20 0 DBADRM C[C@H](CC[S@@](C)=O)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824809982 603737124 /nfs/dbraw/zinc/73/71/24/603737124.db2.gz NKLYUGVVMKIKDK-AOUSDQRYSA-N -1 0 319.383 -0.918 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000829797044 603737662 /nfs/dbraw/zinc/73/76/62/603737662.db2.gz YDAOXDXNXBRREH-HLTSFMKQSA-N -1 0 307.372 -0.523 20 0 DBADRM COC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000828633441 603739207 /nfs/dbraw/zinc/73/92/07/603739207.db2.gz WCISHILSDSCPGD-KXUCPTDWSA-N -1 0 300.311 -0.489 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])n1 ZINC000828698873 603742187 /nfs/dbraw/zinc/74/21/87/603742187.db2.gz ABPZQKDYULMBKK-HTQZYQBOSA-N -1 0 312.282 -0.892 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CC(Oc2ccncc2)C1 ZINC000831273075 603742952 /nfs/dbraw/zinc/74/29/52/603742952.db2.gz NXZKTOZAEAZSHJ-JOYOIKCWSA-N -1 0 307.306 -0.216 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000823774236 603743809 /nfs/dbraw/zinc/74/38/09/603743809.db2.gz XVBICEUYSWAVSC-DTWKUNHWSA-N -1 0 301.343 -0.479 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N(C)CCS(C)(=O)=O ZINC000826100343 603744057 /nfs/dbraw/zinc/74/40/57/603744057.db2.gz IHHVPTRKRIIPJA-DTWKUNHWSA-N -1 0 322.383 -0.007 20 0 DBADRM CN(C[C@H]1CCCN(C(=O)c2nc3n(n2)CCCN3)C1)C(=O)[O-] ZINC000828179894 603748922 /nfs/dbraw/zinc/74/89/22/603748922.db2.gz FMYLKDDQKXYCQV-SNVBAGLBSA-N -1 0 322.369 -0.187 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)OCCCN1C(=O)CNC1=O ZINC000823972804 603750680 /nfs/dbraw/zinc/75/06/80/603750680.db2.gz GNRXUHBVDFANFP-UHFFFAOYSA-N -1 0 301.299 -0.235 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1)C(=O)[O-] ZINC000828260547 603751928 /nfs/dbraw/zinc/75/19/28/603751928.db2.gz UPKODUPCGSTABN-QMMMGPOBSA-N -1 0 307.310 -0.353 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@@H]2CN(C)CCO2)CCN1C(=O)[O-] ZINC000825999991 603757982 /nfs/dbraw/zinc/75/79/82/603757982.db2.gz DPMOUXVUOPZCFY-WDEREUQCSA-N -1 0 300.359 -0.289 20 0 DBADRM CC(C)c1nnc2n1CCN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])C2 ZINC000824511538 603759046 /nfs/dbraw/zinc/75/90/46/603759046.db2.gz WMSZMXLAOCFMQN-ZJUUUORDSA-N -1 0 323.353 -0.143 20 0 DBADRM CNC(=O)NC(=O)COC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000828551700 603760237 /nfs/dbraw/zinc/76/02/37/603760237.db2.gz FKFTUOZIHKVUIZ-UHFFFAOYSA-N -1 0 301.299 -0.187 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N2CC[C@@H](CCO)C2)CC1 ZINC000832036388 603762104 /nfs/dbraw/zinc/76/21/04/603762104.db2.gz IZXPTZFKZZJSTO-LBPRGKRZSA-N -1 0 314.386 -0.304 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000824034542 603762116 /nfs/dbraw/zinc/76/21/16/603762116.db2.gz DVRSRGGJPSAZRY-WDEREUQCSA-N -1 0 315.370 -0.985 20 0 DBADRM CCNC(=O)N1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000827250507 603762649 /nfs/dbraw/zinc/76/26/49/603762649.db2.gz SSZBENNSBOQUMS-UHFFFAOYSA-N -1 0 314.342 -0.761 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCCN1CCCCC1=O ZINC000831675783 603762879 /nfs/dbraw/zinc/76/28/79/603762879.db2.gz IPXVKHGKVLRLBS-QWRGUYRKSA-N -1 0 313.354 -0.382 20 0 DBADRM NC(=O)NC1CCN(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CC1 ZINC000831208036 603765346 /nfs/dbraw/zinc/76/53/46/603765346.db2.gz JFDYZAUGXMWJCI-JTQLQIEISA-N -1 0 313.358 -0.125 20 0 DBADRM C[C@@H](CC(=O)N[C@H](CC(N)=O)C1CCOCC1)NC(=O)[O-] ZINC000824615295 603765575 /nfs/dbraw/zinc/76/55/75/603765575.db2.gz SIXVXNKTBAYNHM-WCBMZHEXSA-N -1 0 301.343 -0.181 20 0 DBADRM C[C@H](CC(=O)N[C@@H](CC(N)=O)C1CCOCC1)NC(=O)[O-] ZINC000824615294 603765749 /nfs/dbraw/zinc/76/57/49/603765749.db2.gz SIXVXNKTBAYNHM-SCZZXKLOSA-N -1 0 301.343 -0.181 20 0 DBADRM CCN(CC(=O)N[C@H](CC(N)=O)C1CCOCC1)C(=O)[O-] ZINC000827001680 603765755 /nfs/dbraw/zinc/76/57/55/603765755.db2.gz CLYGTKDIBPDSDR-SNVBAGLBSA-N -1 0 301.343 -0.227 20 0 DBADRM O=C([O-])N1CCC(=O)[C@H](OC(=O)Cc2nc3ncccn3n2)C1 ZINC000831567539 603766843 /nfs/dbraw/zinc/76/68/43/603766843.db2.gz RFPUALIFGOWWKD-SECBINFHSA-N -1 0 319.277 -0.469 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000825696246 603769480 /nfs/dbraw/zinc/76/94/80/603769480.db2.gz KDVXLCLNFNRHNJ-MRVPVSSYSA-N -1 0 312.326 -0.425 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)cn1 ZINC000830814160 603771152 /nfs/dbraw/zinc/77/11/52/603771152.db2.gz YZPGSHGQPLHDHV-JTQLQIEISA-N -1 0 307.310 -0.066 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])C1 ZINC000827961082 603772426 /nfs/dbraw/zinc/77/24/26/603772426.db2.gz PSKBUSNEAPKMHL-GHMZBOCLSA-N -1 0 313.354 -0.262 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)COCCNC(=O)[O-])CCO1 ZINC000828664371 603776009 /nfs/dbraw/zinc/77/60/09/603776009.db2.gz ZLLNIUMFPFIXPL-VIFPVBQESA-N -1 0 304.299 -0.939 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)[C@@H]2COCCN2C(=O)[O-])CCO1 ZINC000828664378 603776016 /nfs/dbraw/zinc/77/60/16/603776016.db2.gz ZMRNQFKLCKPAKU-ZJUUUORDSA-N -1 0 316.310 -0.844 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCOC[C@@H]1CCOC1 ZINC000831693799 603776498 /nfs/dbraw/zinc/77/64/98/603776498.db2.gz OJZHHGQCJZPKAZ-VWYCJHECSA-N -1 0 302.327 -0.731 20 0 DBADRM CCOCCN1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000827399892 603777136 /nfs/dbraw/zinc/77/71/36/603777136.db2.gz SFRBZSNGQZHERZ-VXGBXAGGSA-N -1 0 315.370 -0.720 20 0 DBADRM C[S@](=O)CCCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000829699509 603777312 /nfs/dbraw/zinc/77/73/12/603777312.db2.gz LGHKWENJXWDZDL-NRFANRHFSA-N -1 0 319.427 -0.055 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)NC[C@H]2CCCN2C(=O)[O-])cn1 ZINC000830993621 603777813 /nfs/dbraw/zinc/77/78/13/603777813.db2.gz KMUGKMWJFOOUJV-MNOVXSKESA-N -1 0 311.342 -0.105 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)NC[C@H]2CCCN2C(=O)[O-])cn1 ZINC000830993620 603777859 /nfs/dbraw/zinc/77/78/59/603777859.db2.gz KMUGKMWJFOOUJV-GHMZBOCLSA-N -1 0 311.342 -0.105 20 0 DBADRM CNC(=O)Cc1noc(CN2CCCC[C@@H]2CNC(=O)[O-])n1 ZINC000828547203 603780005 /nfs/dbraw/zinc/78/00/05/603780005.db2.gz MVMRDIDGHFFAEZ-SECBINFHSA-N -1 0 311.342 -0.020 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000824182183 603780786 /nfs/dbraw/zinc/78/07/86/603780786.db2.gz IANZYJRVIRYRQA-BDAKNGLRSA-N -1 0 309.388 -0.277 20 0 DBADRM CC(C)[C@@H](OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)NC(N)=O ZINC000824151587 603785023 /nfs/dbraw/zinc/78/50/23/603785023.db2.gz YUDCDVCTLQKQJE-JMCQJSRRSA-N -1 0 319.289 -0.159 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000827248889 603790548 /nfs/dbraw/zinc/79/05/48/603790548.db2.gz HWNDCYRAGLVKIO-NSHDSACASA-N -1 0 305.262 -0.533 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000828599516 603790750 /nfs/dbraw/zinc/79/07/50/603790750.db2.gz AMBJEOPTHSQLMW-DTWKUNHWSA-N -1 0 308.356 -0.191 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000828606601 603790923 /nfs/dbraw/zinc/79/09/23/603790923.db2.gz CBFQXLVWECMQMI-IUCAKERBSA-N -1 0 308.356 -0.143 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828608521 603791862 /nfs/dbraw/zinc/79/18/62/603791862.db2.gz RBKQLZGQYFNANE-RKDXNWHRSA-N -1 0 308.356 -0.143 20 0 DBADRM CO[C@H](CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])C(F)(F)F ZINC000828836184 603796409 /nfs/dbraw/zinc/79/64/09/603796409.db2.gz MRLDADUDYUSEEA-LYFYHCNISA-N -1 0 300.233 -0.207 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)C1(NC(=O)[O-])CCCC1 ZINC000828551731 603809849 /nfs/dbraw/zinc/80/98/49/603809849.db2.gz GGIRFIOPNKAIEZ-ZETCQYMHSA-N -1 0 301.299 -0.046 20 0 DBADRM NC(=O)C[C@@H](NC(=O)CC1CN(C(=O)[O-])C1)C1CCOCC1 ZINC000831178201 603815163 /nfs/dbraw/zinc/81/51/63/603815163.db2.gz FKVGGMRLTZYKHZ-LLVKDONJSA-N -1 0 313.354 -0.227 20 0 DBADRM O=C([O-])N1CC(CC(=O)N2CCO[C@H](Cn3cncn3)C2)C1 ZINC000831841990 603816141 /nfs/dbraw/zinc/81/61/41/603816141.db2.gz LCEVYRJWMYRLEC-NSHDSACASA-N -1 0 309.326 -0.495 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000825177498 603817621 /nfs/dbraw/zinc/81/76/21/603817621.db2.gz LAHMPNJMCTVLTO-DAROEXNTSA-N -1 0 312.326 -0.521 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCC[C@H](O)C(F)(F)F ZINC000831659342 603817652 /nfs/dbraw/zinc/81/76/52/603817652.db2.gz GYYFIRZYXDZOBT-XVMARJQXSA-N -1 0 300.233 -0.471 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000828298371 603819308 /nfs/dbraw/zinc/81/93/08/603819308.db2.gz QDXLUXIMZFNSEB-UHFFFAOYSA-N -1 0 300.315 -0.567 20 0 DBADRM Cc1nc2n(c1C)CCN(C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])C2 ZINC000830800152 603821361 /nfs/dbraw/zinc/82/13/61/603821361.db2.gz UMRBNMNNZIIMCR-WDEREUQCSA-N -1 0 308.338 -0.045 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCCNC(=O)C1CCC1 ZINC000831675576 603824082 /nfs/dbraw/zinc/82/40/82/603824082.db2.gz FPNSFEMZPGHPFH-LLVKDONJSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCC1(O)Cc2ccccc2C1 ZINC000831627684 603825576 /nfs/dbraw/zinc/82/55/76/603825576.db2.gz MGWZCDMBCIAMHL-QWHCGFSZSA-N -1 0 320.345 -0.254 20 0 DBADRM C[C@H](OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)NC(C)(C)C ZINC000825552428 603828300 /nfs/dbraw/zinc/82/83/00/603828300.db2.gz PJCGXMJVKZVREA-YIZRAAEISA-N -1 0 302.327 -0.054 20 0 DBADRM C[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@@H]1NC(=O)[O-] ZINC000826042846 603828916 /nfs/dbraw/zinc/82/89/16/603828916.db2.gz UHHGVXMBAGKQSZ-YUMQZZPRSA-N -1 0 307.310 -0.306 20 0 DBADRM CCN(CCCNC(=O)N1CCN2C(=O)NC[C@H]2C1)C(=O)[O-] ZINC000827116594 603829457 /nfs/dbraw/zinc/82/94/57/603829457.db2.gz LSALWIUDRVYGDR-JTQLQIEISA-N -1 0 313.358 -0.205 20 0 DBADRM CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)[O-])C(=O)N1CCOCC1 ZINC000826591543 603831012 /nfs/dbraw/zinc/83/10/12/603831012.db2.gz BJQMDUGPOWFXRP-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N[C@@H](CNC(=O)[O-])C2CC2)n1C ZINC000830887147 603832319 /nfs/dbraw/zinc/83/23/19/603832319.db2.gz AGDNMLUYXHZKHI-NSHDSACASA-N -1 0 324.385 -0.282 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN([C@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000827881934 603832611 /nfs/dbraw/zinc/83/26/11/603832611.db2.gz JAELXPRTPJDNBY-UWVGGRQHSA-N -1 0 319.321 -0.207 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000831901281 603834254 /nfs/dbraw/zinc/83/42/54/603834254.db2.gz GGTNPRQSJRGZLS-KWQFWETISA-N -1 0 308.331 -0.371 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NC2CCS(=O)(=O)CC2)C1 ZINC000831893445 603842348 /nfs/dbraw/zinc/84/23/48/603842348.db2.gz BBWHRGMBLWAUSZ-LLVKDONJSA-N -1 0 308.331 -0.228 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000824907884 603843855 /nfs/dbraw/zinc/84/38/55/603843855.db2.gz OZLDEPZTVIYNOI-MFKMUULPSA-N -1 0 303.334 -0.085 20 0 DBADRM COCCOC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000829002553 603861156 /nfs/dbraw/zinc/86/11/56/603861156.db2.gz WXXCAABBQCORRW-UTUOFQBUSA-N -1 0 316.354 -0.389 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000828682693 603861707 /nfs/dbraw/zinc/86/17/07/603861707.db2.gz BBSMFIWYWCDBBD-BDAKNGLRSA-N -1 0 316.310 -0.355 20 0 DBADRM CC(C)(CNC(=O)CN1C(=O)NC(=O)C1(C)C)NC(=O)[O-] ZINC000823911970 603870406 /nfs/dbraw/zinc/87/04/06/603870406.db2.gz COEMJAAQIOGMMD-UHFFFAOYSA-N -1 0 300.315 -0.521 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)OCC(=O)N2CCNC2=O)C1 ZINC000832332552 603872088 /nfs/dbraw/zinc/87/20/88/603872088.db2.gz NINMWUSGYOBFGJ-RKDXNWHRSA-N -1 0 313.310 -0.092 20 0 DBADRM C[C@]1(C(=O)NC[C@@H]2CCS(=O)(=O)C2)CCN(C(=O)[O-])C1 ZINC000825663157 603873319 /nfs/dbraw/zinc/87/33/19/603873319.db2.gz LNAPRCVYKLWZQC-CABZTGNLSA-N -1 0 304.368 -0.073 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000826093606 603879645 /nfs/dbraw/zinc/87/96/45/603879645.db2.gz IGKHESQKINOCML-GWCFXTLKSA-N -1 0 303.334 -0.085 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000824034344 603883342 /nfs/dbraw/zinc/88/33/42/603883342.db2.gz BMZSHQGVACHLIB-AWEZNQCLSA-N -1 0 317.361 -0.007 20 0 DBADRM CNC(=O)CC1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000828532358 603886103 /nfs/dbraw/zinc/88/61/03/603886103.db2.gz RENINOZBSXIVGM-QWRGUYRKSA-N -1 0 313.354 -0.526 20 0 DBADRM C[C@@H](C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)c1cnn(C)c1 ZINC000823684782 603891632 /nfs/dbraw/zinc/89/16/32/603891632.db2.gz DDMOBBKAAMCRQZ-SNVBAGLBSA-N -1 0 323.353 -0.538 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000831896819 603893195 /nfs/dbraw/zinc/89/31/95/603893195.db2.gz YDGHQCOOEBXHFB-GZMMTYOYSA-N -1 0 308.331 -0.228 20 0 DBADRM CCN1CCO[C@H](CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000827228403 603898303 /nfs/dbraw/zinc/89/83/03/603898303.db2.gz OJLBAGWXAMAWIK-ZWNOBZJWSA-N -1 0 303.334 -0.085 20 0 DBADRM CCCC[C@H](CNC(=O)[O-])NC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000826793991 603899681 /nfs/dbraw/zinc/89/96/81/603899681.db2.gz GITNTTVIWSGSFI-NXEZZACHSA-N -1 0 316.358 -0.292 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000823578772 603900129 /nfs/dbraw/zinc/90/01/29/603900129.db2.gz BFTTZYBFDRXSQO-MFKMUULPSA-N -1 0 317.317 -0.558 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000829688961 603900457 /nfs/dbraw/zinc/90/04/57/603900457.db2.gz YGEWHSAITWMWEU-LDYMZIIASA-N -1 0 323.346 -0.772 20 0 DBADRM Cn1cc(N2CCN(C(=O)NCCCNC(=O)[O-])CC2)cn1 ZINC000831008878 603900622 /nfs/dbraw/zinc/90/06/22/603900622.db2.gz FDTRCYUSVFEYLU-UHFFFAOYSA-N -1 0 310.358 -0.091 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000829688958 603900834 /nfs/dbraw/zinc/90/08/34/603900834.db2.gz YGEWHSAITWMWEU-GZMMTYOYSA-N -1 0 323.346 -0.772 20 0 DBADRM O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])NC1CCOCC1 ZINC000831502818 603902628 /nfs/dbraw/zinc/90/26/28/603902628.db2.gz CXOBKJSVJMRQPH-SNVBAGLBSA-N -1 0 316.310 -0.796 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000826093775 603903807 /nfs/dbraw/zinc/90/38/07/603903807.db2.gz LNQXPPSNCXAQEO-KCJUWKMLSA-N -1 0 308.331 -0.276 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@]3(C)CCN(C(=O)[O-])C3)C2)C1=O ZINC000828445108 603906255 /nfs/dbraw/zinc/90/62/55/603906255.db2.gz JZOYADAFNTYIQQ-KGLIPLIRSA-N -1 0 324.337 -0.471 20 0 DBADRM O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])NCc1ccco1 ZINC000831504242 603906425 /nfs/dbraw/zinc/90/64/25/603906425.db2.gz UYQIHBLLYWKETG-SNVBAGLBSA-N -1 0 312.278 -0.182 20 0 DBADRM CCCNC(=O)NC(=O)COC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000826925560 603907480 /nfs/dbraw/zinc/90/74/80/603907480.db2.gz JCCOPVZTEJXNCL-QMMMGPOBSA-N -1 0 317.298 -0.856 20 0 DBADRM O=C([O-])NC1CCN(C(=O)NCc2nnnn2C2CC2)CC1 ZINC000832375168 603909345 /nfs/dbraw/zinc/90/93/45/603909345.db2.gz CYMVHVZWUWXCOA-UHFFFAOYSA-N -1 0 309.330 -0.050 20 0 DBADRM O=C([O-])N1CCN(CCCNS(=O)(=O)N2CCCC2)CC1 ZINC000832031065 603912660 /nfs/dbraw/zinc/91/26/60/603912660.db2.gz FYJSCWFIPIFKNU-UHFFFAOYSA-N -1 0 320.415 -0.398 20 0 DBADRM CC(C)(O)CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000824034349 603917363 /nfs/dbraw/zinc/91/73/63/603917363.db2.gz BNVHYIHYAFHVSH-UHFFFAOYSA-N -1 0 321.399 -0.933 20 0 DBADRM CN1CC[C@@H](OC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1=O ZINC000828472781 603918591 /nfs/dbraw/zinc/91/85/91/603918591.db2.gz QVIMMAYZDGCVEL-NXEZZACHSA-N -1 0 300.311 -0.081 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)NCCCNC(=O)[O-])o1 ZINC000829686950 603919236 /nfs/dbraw/zinc/91/92/36/603919236.db2.gz HNLKECIEIKRHAR-UHFFFAOYSA-N -1 0 319.339 -0.284 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000825508095 603920964 /nfs/dbraw/zinc/92/09/64/603920964.db2.gz GNZCISZBCBFSOB-IVZWLZJFSA-N -1 0 321.399 -0.133 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C[C@@H]1C ZINC000825527388 603925792 /nfs/dbraw/zinc/92/57/92/603925792.db2.gz CODUTOOPZGDCNL-COPLHBTASA-N -1 0 317.361 -0.008 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@@]2(C)CCN(C(=O)[O-])C2)CCO1 ZINC000828639271 603926634 /nfs/dbraw/zinc/92/66/34/603926634.db2.gz FORDPVYCUHTWSR-RNCFNFMXSA-N -1 0 300.311 -0.223 20 0 DBADRM CCC(CC)(CNC(=O)NCCNS(C)(=O)=O)NC(=O)[O-] ZINC000826534109 603928908 /nfs/dbraw/zinc/92/89/08/603928908.db2.gz YBPHCYHDLOVOTI-UHFFFAOYSA-N -1 0 324.403 -0.339 20 0 DBADRM NC(=O)NC1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000831208528 603931329 /nfs/dbraw/zinc/93/13/29/603931329.db2.gz QWYASECKLFQHNE-LBPRGKRZSA-N -1 0 302.306 -0.262 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000825172411 603937370 /nfs/dbraw/zinc/93/73/70/603937370.db2.gz SPKROBHXXUZDPT-UHLUBPPHSA-N -1 0 312.326 -0.521 20 0 DBADRM COC1(C(=O)N2CCn3cnnc3C2)CCN(C(=O)[O-])CC1 ZINC000828849131 603939494 /nfs/dbraw/zinc/93/94/94/603939494.db2.gz JGBJUYAEKNIWIH-UHFFFAOYSA-N -1 0 309.326 -0.221 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H]1COCCN1C(=O)[O-])C1CC1 ZINC000828646096 603939593 /nfs/dbraw/zinc/93/95/93/603939593.db2.gz DZOBMPHKPIMIIK-NXEZZACHSA-N -1 0 300.311 -0.177 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)[C@]2(C)CCN(C(=O)[O-])C2)CCO1 ZINC000823579015 603947148 /nfs/dbraw/zinc/94/71/48/603947148.db2.gz CYZVNSBMTRDDTE-SMDDNHRTSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@]1(C(=O)N2CCO[C@H](Cn3cncn3)C2)CCN(C(=O)[O-])C1 ZINC000825656575 603947588 /nfs/dbraw/zinc/94/75/88/603947588.db2.gz GSOKLTFTKOCLOA-SMDDNHRTSA-N -1 0 323.353 -0.105 20 0 DBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3cnns3)n2)CC1 ZINC000831815529 603958627 /nfs/dbraw/zinc/95/86/27/603958627.db2.gz LNONRLBVUJBYGC-UHFFFAOYSA-N -1 0 324.326 -0.292 20 0 DBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)[C@H]3CCOC3)n2)CC1 ZINC000831810944 603958733 /nfs/dbraw/zinc/95/87/33/603958733.db2.gz VGEBCQXASFYWSE-QMMMGPOBSA-N -1 0 310.314 -0.420 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827312800 603959723 /nfs/dbraw/zinc/95/97/23/603959723.db2.gz JNVVOCNQZCRTGX-IUCAKERBSA-N -1 0 315.326 -0.700 20 0 DBADRM C[C@H](CC(=O)O[C@H](C)C(=O)NC(=O)NC1CC1)NC(=O)[O-] ZINC000824721006 603961248 /nfs/dbraw/zinc/96/12/48/603961248.db2.gz QSPIMLRXPHCWSC-RNFRBKRXSA-N -1 0 301.299 -0.048 20 0 DBADRM CCC1(COC(=O)CN2CCN(C(=O)[O-])CC2=O)COC1 ZINC000826653469 603962435 /nfs/dbraw/zinc/96/24/35/603962435.db2.gz ADPBLQFPQKKIDN-UHFFFAOYSA-N -1 0 300.311 -0.222 20 0 DBADRM CN(CC(=O)NC(C)(C)C)C(=O)COC1CN(C(=O)[O-])C1 ZINC000828103025 603971244 /nfs/dbraw/zinc/97/12/44/603971244.db2.gz WIJQZWXBZPFROQ-UHFFFAOYSA-N -1 0 301.343 -0.262 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)C(C)(C)NC(=O)[O-])CC2 ZINC000829049473 603971627 /nfs/dbraw/zinc/97/16/27/603971627.db2.gz HHTBACPRPXBHQJ-MRVPVSSYSA-N -1 0 311.342 -0.098 20 0 DBADRM C[C@H](CC(=O)OCC(=O)N(C)Cc1cnn(C)c1)NC(=O)[O-] ZINC000824718962 603974446 /nfs/dbraw/zinc/97/44/46/603974446.db2.gz JKSLXVURXPTZDK-SECBINFHSA-N -1 0 312.326 -0.032 20 0 DBADRM COCCN(CC(=O)N1CCC[C@H](CC(N)=O)C1)C(=O)[O-] ZINC000828971370 603976175 /nfs/dbraw/zinc/97/61/75/603976175.db2.gz XDMLZZYIQRPSKV-SNVBAGLBSA-N -1 0 301.343 -0.273 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NC1CCS(=O)(=O)CC1 ZINC000831529479 603977552 /nfs/dbraw/zinc/97/75/52/603977552.db2.gz KJCQDHNOACTLQS-UHFFFAOYSA-N -1 0 306.340 -0.941 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)C1 ZINC000831246650 603980407 /nfs/dbraw/zinc/98/04/07/603980407.db2.gz SQCDGVRQBWFXKE-HRDYMLBCSA-N -1 0 305.356 -0.688 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCCc2nnc3n2CCC3)C1 ZINC000831902364 603981989 /nfs/dbraw/zinc/98/19/89/603981989.db2.gz NZONAHWPZYZGMQ-ZDUSSCGKSA-N -1 0 311.317 -0.025 20 0 DBADRM CC(C)(CC(=O)NCC1(O)CCS(=O)(=O)CC1)NC(=O)[O-] ZINC000823882226 603988480 /nfs/dbraw/zinc/98/84/80/603988480.db2.gz RKCRUEKGBBFVTC-UHFFFAOYSA-N -1 0 322.383 -0.521 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000824138124 603996419 /nfs/dbraw/zinc/99/64/19/603996419.db2.gz ZQAPQEPUMHPGEG-LBPRGKRZSA-N -1 0 323.353 -0.113 20 0 DBADRM O=C([O-])N(CC(=O)NCC1(O)CCOCC1)C[C@H]1CCCO1 ZINC000831474163 603996884 /nfs/dbraw/zinc/99/68/84/603996884.db2.gz KVIUJTDKRKHKFL-LLVKDONJSA-N -1 0 316.354 -0.197 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000831858937 603996847 /nfs/dbraw/zinc/99/68/47/603996847.db2.gz RBEGMRJLIKNVEI-UHFFFAOYSA-N -1 0 321.337 -0.496 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)[O-])CC2=O)cn1 ZINC000831008812 603997512 /nfs/dbraw/zinc/99/75/12/603997512.db2.gz CLYNMSCBEQZOHV-NSHDSACASA-N -1 0 321.337 -0.262 20 0 DBADRM CC1(C)COCCN1CCNC(=O)COC1CN(C(=O)[O-])C1 ZINC000825733392 603999065 /nfs/dbraw/zinc/99/90/65/603999065.db2.gz ARZCTDNXOKOHLG-UHFFFAOYSA-N -1 0 315.370 -0.408 20 0 DBADRM O=C([O-])NC1(CNC(=O)NC(CO)CO)CCCCCC1 ZINC000832224158 604001616 /nfs/dbraw/zinc/00/16/16/604001616.db2.gz ZBSGULSNJNPHMV-UHFFFAOYSA-N -1 0 303.359 -0.001 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCCOC[C@@H]1CCOC1 ZINC000831533505 604006055 /nfs/dbraw/zinc/00/60/55/604006055.db2.gz MXCFHAZZGCRDDL-SNVBAGLBSA-N -1 0 302.327 -0.466 20 0 DBADRM COCCN(CC(=O)OC)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828979426 604009051 /nfs/dbraw/zinc/00/90/51/604009051.db2.gz HOPFFXUNILRVGM-GFCCVEGCSA-N -1 0 306.290 -0.274 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)n[nH]1 ZINC000828699668 604010589 /nfs/dbraw/zinc/01/05/89/604010589.db2.gz IYDCZMCKHASFJT-NSHDSACASA-N -1 0 315.261 -0.449 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000825778798 604012422 /nfs/dbraw/zinc/01/24/22/604012422.db2.gz TVVXSWNIJNQKGC-DYCLVXDSSA-N -1 0 304.368 -0.267 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)OCCN2C(=O)CNC2=O)o1 ZINC000832710663 604012859 /nfs/dbraw/zinc/01/28/59/604012859.db2.gz SFOKUZYYPRIAAV-UHFFFAOYSA-N -1 0 311.250 -0.244 20 0 DBADRM CN(C(=O)[O-])C1CCN(Cn2nnc3c(cnn3C)c2=O)CC1 ZINC000827896911 604017445 /nfs/dbraw/zinc/01/74/45/604017445.db2.gz YIKHIZQIANEPLS-UHFFFAOYSA-N -1 0 321.341 -0.443 20 0 DBADRM CN(C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCN(C(=O)[O-])CC1 ZINC000827785822 604021990 /nfs/dbraw/zinc/02/19/90/604021990.db2.gz LDBKDPDVZJRXRQ-SECBINFHSA-N -1 0 319.383 -0.043 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)COC2CN(C(=O)[O-])C2)CC1=O ZINC000825860895 604021979 /nfs/dbraw/zinc/02/19/79/604021979.db2.gz LZYVAXXWDDEAFJ-FXPVBKGRSA-N -1 0 311.338 -0.509 20 0 DBADRM Cn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(=O)[nH]c1=O ZINC000830987895 604023901 /nfs/dbraw/zinc/02/39/01/604023901.db2.gz AZPGJKJWXCVTFM-BDAKNGLRSA-N -1 0 322.321 -0.157 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000828649203 604030010 /nfs/dbraw/zinc/03/00/10/604030010.db2.gz YCWKJPFTHLKEHO-LLVKDONJSA-N -1 0 315.370 -0.013 20 0 DBADRM COC(=O)C[C@H](C)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000828647390 604034061 /nfs/dbraw/zinc/03/40/61/604034061.db2.gz PPWHRFXXOJICGU-JTQLQIEISA-N -1 0 301.343 -0.403 20 0 DBADRM O=C([O-])NCc1nnnn1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000832739453 604034627 /nfs/dbraw/zinc/03/46/27/604034627.db2.gz VRKAGJQSCWXISI-YFKPBYRVSA-N -1 0 308.220 -0.224 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)NCCCNC(=O)[O-] ZINC000830948953 604039485 /nfs/dbraw/zinc/03/94/85/604039485.db2.gz RCCCTKVYURVNJC-UHFFFAOYSA-N -1 0 305.312 -0.377 20 0 DBADRM C[C@@H](CCO)CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000824801548 604047294 /nfs/dbraw/zinc/04/72/94/604047294.db2.gz CUTWEIFLGDIJCA-JTQLQIEISA-N -1 0 316.358 -0.874 20 0 DBADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)OCCCN2C(=O)CNC2=O)C1 ZINC000832306215 604051028 /nfs/dbraw/zinc/05/10/28/604051028.db2.gz MPOGEKCGLDPOSB-BDAKNGLRSA-N -1 0 313.310 -0.092 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827250923 604051734 /nfs/dbraw/zinc/05/17/34/604051734.db2.gz VSAZPKYATOETJK-YUMQZZPRSA-N -1 0 301.299 -0.188 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1Cc1nc(CS(C)(=O)=O)no1 ZINC000826026862 604053813 /nfs/dbraw/zinc/05/38/13/604053813.db2.gz OWQPFKLEGLUXAV-QMMMGPOBSA-N -1 0 318.355 -0.202 20 0 DBADRM CN(CCCNC(=O)[O-])Cc1nc(CS(C)(=O)=O)no1 ZINC000828301932 604056220 /nfs/dbraw/zinc/05/62/20/604056220.db2.gz JPOJCVRFPPOLSJ-UHFFFAOYSA-N -1 0 306.344 -0.296 20 0 DBADRM COCCCOC1CN(C(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000828950344 604057535 /nfs/dbraw/zinc/05/75/35/604057535.db2.gz GPJNXLJCHJJWBF-LLVKDONJSA-N -1 0 302.327 -0.371 20 0 DBADRM NC(=O)NC(=O)COC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000831207753 604062706 /nfs/dbraw/zinc/06/27/06/604062706.db2.gz DDSHIKIZHPYDRY-SNVBAGLBSA-N -1 0 323.305 -0.007 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1CSCN1C(=O)[O-])S(C)(=O)=O ZINC000823906833 604064834 /nfs/dbraw/zinc/06/48/34/604064834.db2.gz KWROZTQFKMKCFN-ZETCQYMHSA-N -1 0 310.397 -0.021 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCC[C@@H]1CNC(=O)[O-] ZINC000827313883 604065408 /nfs/dbraw/zinc/06/54/08/604065408.db2.gz WJOOJPWAQWCEOL-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N(C)CC(=O)N1CCOCC1 ZINC000824823208 604065824 /nfs/dbraw/zinc/06/58/24/604065824.db2.gz FEEXBYIDGXMXJV-JTQLQIEISA-N -1 0 301.343 -0.451 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OC[C@H]1CCN(C(=O)[O-])C1 ZINC000825514555 604065942 /nfs/dbraw/zinc/06/59/42/604065942.db2.gz HOUPUTDJVSGNBA-ATZCPNFKSA-N -1 0 314.338 -0.195 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000824840278 604072259 /nfs/dbraw/zinc/07/22/59/604072259.db2.gz JUDJPAWPAWOQEJ-VIFPVBQESA-N -1 0 307.372 -0.664 20 0 DBADRM CC(C)[C@H](CCO)NC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000824105280 604074058 /nfs/dbraw/zinc/07/40/58/604074058.db2.gz RIQLWFUSCLXJCH-LBPRGKRZSA-N -1 0 316.402 -0.012 20 0 DBADRM C[C@@H](CCO)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000824810559 604076291 /nfs/dbraw/zinc/07/62/91/604076291.db2.gz RAXULZUBTXUQGR-NSHDSACASA-N -1 0 302.375 -0.400 20 0 DBADRM C[C@@H](CNC(=O)NCCNC(=O)[O-])C[NH+]1CCN(C)CC1 ZINC000824939747 604079221 /nfs/dbraw/zinc/07/92/21/604079221.db2.gz OYYHLQHYKYFTAA-NSHDSACASA-N -1 0 301.391 -0.563 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCC(=O)NC(N)=O ZINC000826109313 604080320 /nfs/dbraw/zinc/08/03/20/604080320.db2.gz JTWWBLFBIUSQMV-SVRRBLITSA-N -1 0 316.314 -0.809 20 0 DBADRM O=C([O-])NCCNC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000832653054 604080562 /nfs/dbraw/zinc/08/05/62/604080562.db2.gz PDDMDOUNRZGNFE-LLVKDONJSA-N -1 0 300.359 -0.240 20 0 DBADRM NC(=O)COc1cccc(CNC(=O)NCCNC(=O)[O-])c1 ZINC000831194257 604082421 /nfs/dbraw/zinc/08/24/21/604082421.db2.gz ILEVCHXZTSHIIA-UHFFFAOYSA-N -1 0 310.310 -0.383 20 0 DBADRM O=C([O-])NCCNC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000832653055 604082599 /nfs/dbraw/zinc/08/25/99/604082599.db2.gz PDDMDOUNRZGNFE-NSHDSACASA-N -1 0 300.359 -0.240 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2C(=O)[O-])CC1 ZINC000828543347 604088621 /nfs/dbraw/zinc/08/86/21/604088621.db2.gz UIHXFXVHUMITRI-LLVKDONJSA-N -1 0 312.370 -0.591 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)CC2CN(C(=O)[O-])C2)n1 ZINC000828076631 604090497 /nfs/dbraw/zinc/09/04/97/604090497.db2.gz FQIBNBMQKOSGFA-UHFFFAOYSA-N -1 0 310.314 -0.437 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)[C@H](C)CN(C)C(=O)[O-])CC1 ZINC000828541913 604091721 /nfs/dbraw/zinc/09/17/21/604091721.db2.gz HZYOPBMOIYVFHD-SNVBAGLBSA-N -1 0 314.386 -0.441 20 0 DBADRM O=C(COC(=O)CC1CN(C(=O)[O-])C1)NC[C@H]1CCCO1 ZINC000831503986 604094408 /nfs/dbraw/zinc/09/44/08/604094408.db2.gz RJKRYFQTLRLTBR-SNVBAGLBSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C(COC(=O)CC1CN(C(=O)[O-])C1)NC[C@@H]1CCCO1 ZINC000831503985 604094501 /nfs/dbraw/zinc/09/45/01/604094501.db2.gz RJKRYFQTLRLTBR-JTQLQIEISA-N -1 0 300.311 -0.175 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)CC2CN(C(=O)[O-])C2)CCO1 ZINC000825988612 604095314 /nfs/dbraw/zinc/09/53/14/604095314.db2.gz MGXKYZKBWWVYTK-SECBINFHSA-N -1 0 300.311 -0.223 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])CC1 ZINC000828881332 604102533 /nfs/dbraw/zinc/10/25/33/604102533.db2.gz WXGLQKLURHWAMF-JTQLQIEISA-N -1 0 301.343 -0.451 20 0 DBADRM Cn1ccnc(NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)c1=O ZINC000831030912 604107232 /nfs/dbraw/zinc/10/72/32/604107232.db2.gz IFPWWKQXRPDKSW-UHFFFAOYSA-N -1 0 323.353 -0.207 20 0 DBADRM C[C@@H](CNC(=O)NCCCNC(=O)[O-])C[NH+]1CCN(C)CC1 ZINC000824939516 604107944 /nfs/dbraw/zinc/10/79/44/604107944.db2.gz MILSCHCTLSFTPE-LBPRGKRZSA-N -1 0 315.418 -0.173 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)NCCCNC(=O)[O-])CC2 ZINC000831055614 604109905 /nfs/dbraw/zinc/10/99/05/604109905.db2.gz ZJVVNPUJGHZTQV-UHFFFAOYSA-N -1 0 309.326 -0.494 20 0 DBADRM O=C([O-])N1CCCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000832009745 604111420 /nfs/dbraw/zinc/11/14/20/604111420.db2.gz OJWPOJUCPOZUDT-SNVBAGLBSA-N -1 0 321.337 -0.025 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000824847498 604120515 /nfs/dbraw/zinc/12/05/15/604120515.db2.gz IHXGUVBOUPGHDT-UWVGGRQHSA-N -1 0 321.399 -0.228 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@H](C)CN(C)C(=O)[O-])CC1 ZINC000827475793 604131505 /nfs/dbraw/zinc/13/15/05/604131505.db2.gz NRTIBDKMRXQOER-SNVBAGLBSA-N -1 0 321.399 -0.274 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000825016288 604134057 /nfs/dbraw/zinc/13/40/57/604134057.db2.gz PKZKJPDEZQQLIO-BDAKNGLRSA-N -1 0 307.372 -0.139 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000825016290 604134199 /nfs/dbraw/zinc/13/41/99/604134199.db2.gz PKZKJPDEZQQLIO-IUCAKERBSA-N -1 0 307.372 -0.139 20 0 DBADRM COCCc1noc(CN(C)C(=O)NCCNC(=O)[O-])n1 ZINC000829024096 604135410 /nfs/dbraw/zinc/13/54/10/604135410.db2.gz JSUFXPOPXYGDPN-UHFFFAOYSA-N -1 0 301.303 -0.333 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1cccn(C)c1=O ZINC000824952373 604145007 /nfs/dbraw/zinc/14/50/07/604145007.db2.gz OIODFXCYXNHDMV-QMMMGPOBSA-N -1 0 310.310 -0.562 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1cccn(C)c1=O)NC(=O)[O-] ZINC000824110361 604145133 /nfs/dbraw/zinc/14/51/33/604145133.db2.gz IMPQXCVBTSGDBL-JTQLQIEISA-N -1 0 324.337 -0.268 20 0 DBADRM Cn1cccc(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)[O-])c1=O ZINC000831022583 604146429 /nfs/dbraw/zinc/14/64/29/604146429.db2.gz KQKUKYWAKINRQX-VIFPVBQESA-N -1 0 322.321 -0.418 20 0 DBADRM C[C@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)CCN1C(=O)[O-] ZINC000825996712 604146930 /nfs/dbraw/zinc/14/69/30/604146930.db2.gz PVYLLUXNDYXNEK-VHSXEESVSA-N -1 0 308.342 -0.013 20 0 DBADRM CN(CCNC(=O)C(=O)Nc1ccn(CC(F)F)n1)C(=O)[O-] ZINC000828316108 604148315 /nfs/dbraw/zinc/14/83/15/604148315.db2.gz KKCFVLOJDFVOPB-UHFFFAOYSA-N -1 0 319.268 -0.187 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)cn1 ZINC000830812824 604153469 /nfs/dbraw/zinc/15/34/69/604153469.db2.gz KKZQKXORFQDUAJ-QMMMGPOBSA-N -1 0 307.310 -0.066 20 0 DBADRM C[C@@H](C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1)N(C)C ZINC000829784836 604156911 /nfs/dbraw/zinc/15/69/11/604156911.db2.gz ZGZWLIZJWAHFEX-QMMMGPOBSA-N -1 0 311.346 -0.507 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCN(CCO)CC1 ZINC000826099159 604159019 /nfs/dbraw/zinc/15/90/19/604159019.db2.gz ADQWUDXZWNLWBB-GHMZBOCLSA-N -1 0 315.370 -0.374 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000824830160 604159188 /nfs/dbraw/zinc/15/91/88/604159188.db2.gz CDOMUKUZXHCITO-UWVGGRQHSA-N -1 0 321.399 -0.241 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000824830163 604159312 /nfs/dbraw/zinc/15/93/12/604159312.db2.gz CDOMUKUZXHCITO-VHSXEESVSA-N -1 0 321.399 -0.241 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)CC2(NC(=O)[O-])CCC2)C1 ZINC000831247232 604168163 /nfs/dbraw/zinc/16/81/63/604168163.db2.gz XJAVEOCEXPPWNO-QMMMGPOBSA-N -1 0 305.356 -0.544 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000824855136 604169388 /nfs/dbraw/zinc/16/93/88/604169388.db2.gz OBPAHUIWTDWFKQ-LLVKDONJSA-N -1 0 314.386 -0.487 20 0 DBADRM COC(=O)CNC(=O)CN1CCC[C@@H](C)[C@@H]1CNC(=O)[O-] ZINC000828683160 604170482 /nfs/dbraw/zinc/17/04/82/604170482.db2.gz HGMSJTCBMWVZAI-ZJUUUORDSA-N -1 0 301.343 -0.356 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000824840623 604180023 /nfs/dbraw/zinc/18/00/23/604180023.db2.gz LPIZFTFYROKOIF-WDEREUQCSA-N -1 0 311.342 -0.249 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC[C@H]2CNC(=O)[O-])n(C)n1 ZINC000830089270 604194870 /nfs/dbraw/zinc/19/48/70/604194870.db2.gz GEGXMSLMWFVBQL-VIFPVBQESA-N -1 0 309.326 -0.074 20 0 DBADRM C[C@@H](COC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)NC(=O)[O-] ZINC000824988470 604195232 /nfs/dbraw/zinc/19/52/32/604195232.db2.gz SCNRKTJNQJDVKW-CPFSXVBKSA-N -1 0 313.310 -0.094 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)OC[C@H](C)NC(=O)[O-] ZINC000823575487 604198921 /nfs/dbraw/zinc/19/89/21/604198921.db2.gz RPCDCNRCMVXNJB-WPRPVWTQSA-N -1 0 315.326 -0.687 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000824839456 604222949 /nfs/dbraw/zinc/22/29/49/604222949.db2.gz BVTLDBKLEDGIBG-WIUDPPPLSA-N -1 0 319.427 -0.245 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(c2ncc(S(N)(=O)=O)s2)C1 ZINC000827901791 604225956 /nfs/dbraw/zinc/22/59/56/604225956.db2.gz ZYYODXNTKRZKGY-LURJTMIESA-N -1 0 306.369 -0.021 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000827304995 604235919 /nfs/dbraw/zinc/23/59/19/604235919.db2.gz ASOCCYLQXAUSTH-VIFPVBQESA-N -1 0 308.356 -0.047 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)O[C@H](C)C(=O)N1CCNC1=O ZINC000824880692 604243529 /nfs/dbraw/zinc/24/35/29/604243529.db2.gz KYEBEAIKAQRZNK-HTQZYQBOSA-N -1 0 301.299 -0.284 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2COCCN2C(=O)[O-])C[C@H]1C ZINC000828639357 604247625 /nfs/dbraw/zinc/24/76/25/604247625.db2.gz GHZXZSAYXOAVEB-OPRDCNLKSA-N -1 0 300.311 -0.367 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)OCc1nc(N)nc(N(C)C)n1 ZINC000824896295 604248421 /nfs/dbraw/zinc/24/84/21/604248421.db2.gz PAVZVDCZYPAZTL-ZETCQYMHSA-N -1 0 312.330 -0.191 20 0 DBADRM CS(=O)(=O)NCCOC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000829686621 604252966 /nfs/dbraw/zinc/25/29/66/604252966.db2.gz DSRPSBVOKJPBLZ-SECBINFHSA-N -1 0 324.355 -0.762 20 0 DBADRM CC(C)(C)N1C[C@@H](NC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1=O ZINC000823773730 604265163 /nfs/dbraw/zinc/26/51/63/604265163.db2.gz VIHYFOWYBUHQKX-VHSXEESVSA-N -1 0 313.354 -0.119 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@@]1(CCO)CCOC1 ZINC000831626878 604269549 /nfs/dbraw/zinc/26/95/49/604269549.db2.gz AZAGKGFCRBWLMV-GXFFZTMASA-N -1 0 302.327 -0.730 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NC[C@]1(CCO)CCOC1 ZINC000831627151 604270082 /nfs/dbraw/zinc/27/00/82/604270082.db2.gz GRLNHRBEWCJNRP-NRUUGDAUSA-N -1 0 302.327 -0.995 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NC[C@]1(CCO)CCOC1 ZINC000831628498 604270278 /nfs/dbraw/zinc/27/02/78/604270278.db2.gz ULEAABJUHUYPLU-CABZTGNLSA-N -1 0 304.368 -0.055 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000824351371 604272358 /nfs/dbraw/zinc/27/23/58/604272358.db2.gz MWMZAHSTAHYTKR-RKDXNWHRSA-N -1 0 313.310 -0.983 20 0 DBADRM CN(CCCNC(=O)NC[C@@H]1CCCS1(=O)=O)C(=O)[O-] ZINC000828293197 604272734 /nfs/dbraw/zinc/27/27/34/604272734.db2.gz KJJKDKUMCCQBRJ-VIFPVBQESA-N -1 0 307.372 -0.137 20 0 DBADRM COC[C@](C)(CC(=O)OC)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828886379 604275107 /nfs/dbraw/zinc/27/51/07/604275107.db2.gz UYEHTYVQNMZDHC-ZANVPECISA-N -1 0 318.326 -0.550 20 0 DBADRM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000831173776 604275492 /nfs/dbraw/zinc/27/54/92/604275492.db2.gz OJHYLHNNVMYQRN-HBNTYKKESA-N -1 0 313.354 -0.084 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)NC[C@@H]1CCCS1(=O)=O)C1CC1 ZINC000832428911 604276679 /nfs/dbraw/zinc/27/66/79/604276679.db2.gz XRUIMMFUMUNASO-VHSXEESVSA-N -1 0 319.383 -0.091 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)nn1 ZINC000825528240 604278568 /nfs/dbraw/zinc/27/85/68/604278568.db2.gz LCAQNKFIIUCQLD-NXEZZACHSA-N -1 0 311.342 -0.162 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N[C@](C)(CNC(=O)[O-])C2CC2)nn1 ZINC000825528869 604278779 /nfs/dbraw/zinc/27/87/79/604278779.db2.gz UVHCDYQIYQIXCX-AMIZOPFISA-N -1 0 311.342 -0.116 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)nn1 ZINC000825528860 604278780 /nfs/dbraw/zinc/27/87/80/604278780.db2.gz URFOKQSEDPRJBC-ZJUUUORDSA-N -1 0 311.342 -0.068 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC(c3nnc[nH]3)CC2)C1 ZINC000832051011 604280193 /nfs/dbraw/zinc/28/01/93/604280193.db2.gz SNXLRMPDIIQSPQ-SNVBAGLBSA-N -1 0 309.326 -0.111 20 0 DBADRM CC(C)S(=O)(=O)CCCOC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000824430895 604283050 /nfs/dbraw/zinc/28/30/50/604283050.db2.gz CEMCPAQLOSJAMK-VHSXEESVSA-N -1 0 323.367 -0.144 20 0 DBADRM COC[C@](C)(NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)OC ZINC000828885399 604286417 /nfs/dbraw/zinc/28/64/17/604286417.db2.gz DLFNTNPYSGXSLX-UFBFGSQYSA-N -1 0 304.299 -0.941 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)CCN1C(=O)[O-] ZINC000825994569 604302912 /nfs/dbraw/zinc/30/29/12/604302912.db2.gz BKSIVZGNUAENOV-ZJUUUORDSA-N -1 0 319.383 -0.043 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000826025536 604303079 /nfs/dbraw/zinc/30/30/79/604303079.db2.gz ALQHHGDNRAPCMG-VHSXEESVSA-N -1 0 319.383 -0.043 20 0 DBADRM CC(=O)N1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)[C@@H](C)C1 ZINC000823555092 604304833 /nfs/dbraw/zinc/30/48/33/604304833.db2.gz AGFPTFMGPRJIOR-JQWIXIFHSA-N -1 0 313.354 -0.166 20 0 DBADRM COCCN(CC(=O)N1CCc2nnc(OC)cc2C1)C(=O)[O-] ZINC000828970905 604308621 /nfs/dbraw/zinc/30/86/21/604308621.db2.gz JBEAXOQKCJEILX-UHFFFAOYSA-N -1 0 324.337 -0.004 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)O1 ZINC000825865070 604314083 /nfs/dbraw/zinc/31/40/83/604314083.db2.gz DSQRECPTMKTHJH-QWRGUYRKSA-N -1 0 313.354 -0.166 20 0 DBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CN(C)C(=O)[O-] ZINC000826690691 604323236 /nfs/dbraw/zinc/32/32/36/604323236.db2.gz LORSIRFBZWORMH-NXEZZACHSA-N -1 0 321.399 -0.228 20 0 DBADRM CN(C(=O)NCCNC(=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000827801112 604335050 /nfs/dbraw/zinc/33/50/50/604335050.db2.gz DQXLKNNGTIWRPH-UHFFFAOYSA-N -1 0 322.387 -0.681 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739616204 604335951 /nfs/dbraw/zinc/33/59/51/604335951.db2.gz DSZTVDOFPDNAKL-SECBINFHSA-N -1 0 307.372 -0.316 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CC[C@@H](NC(=O)[O-])C2)C[C@H](C)O1 ZINC000826073743 604337756 /nfs/dbraw/zinc/33/77/56/604337756.db2.gz BKVLXOVFTWVNHP-LPEHRKFASA-N -1 0 307.372 -0.318 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NC[C@@H]2CCCS2(=O)=O)n1 ZINC000833275304 604340541 /nfs/dbraw/zinc/34/05/41/604340541.db2.gz CWXZLCOFZUMZNA-QMMMGPOBSA-N -1 0 316.339 -0.334 20 0 DBADRM COCc1nn(Cc2nc(C(C)(C)NC(=O)[O-])no2)c(=O)o1 ZINC000829054865 604348909 /nfs/dbraw/zinc/34/89/09/604348909.db2.gz HJCUNRACAXIYFH-UHFFFAOYSA-N -1 0 313.270 -0.083 20 0 DBADRM CC1(O)CCN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000825760270 604350147 /nfs/dbraw/zinc/35/01/47/604350147.db2.gz MHBHRMFGRKXDLE-LLVKDONJSA-N -1 0 312.370 -0.110 20 0 DBADRM O=C([O-])c1sccc1CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000833357402 604352448 /nfs/dbraw/zinc/35/24/48/604352448.db2.gz DQXDIWRMRVWPEF-SECBINFHSA-N -1 0 309.347 -0.411 20 0 DBADRM CC(C)(CNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)NC(=O)[O-] ZINC000823930867 604352505 /nfs/dbraw/zinc/35/25/05/604352505.db2.gz QGCIAWGBDXQXKL-JGVFFNPUSA-N -1 0 302.331 -0.635 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN2C(=O)[O-])O1 ZINC000831171789 604352557 /nfs/dbraw/zinc/35/25/57/604352557.db2.gz FXHUDKVTLCTJCH-GUBZILKMSA-N -1 0 314.342 -0.539 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)NC[C@H]2CCCN2C(=O)[O-])O1 ZINC000831171788 604352707 /nfs/dbraw/zinc/35/27/07/604352707.db2.gz FXHUDKVTLCTJCH-BBBLOLIVSA-N -1 0 314.342 -0.539 20 0 DBADRM O=C([O-])c1ccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1F ZINC000833358318 604352909 /nfs/dbraw/zinc/35/29/09/604352909.db2.gz QRZOOXOBWUYWCS-SNVBAGLBSA-N -1 0 321.308 -0.334 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000827851765 604356253 /nfs/dbraw/zinc/35/62/53/604356253.db2.gz MFBMARSMLCWYFC-UTLUCORTSA-N -1 0 314.342 -0.587 20 0 DBADRM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CCNC(=O)[O-])C1 ZINC000827300580 604363548 /nfs/dbraw/zinc/36/35/48/604363548.db2.gz XLZVEEHUKWQNQA-NSHDSACASA-N -1 0 315.370 -0.013 20 0 DBADRM Cn1cc(S(=O)(=O)NCCN2CC[C@@H](NC(=O)[O-])C2)cn1 ZINC000831014750 604378077 /nfs/dbraw/zinc/37/80/77/604378077.db2.gz ZDJFCONUZCXFNG-SECBINFHSA-N -1 0 317.371 -0.960 20 0 DBADRM CS(=O)(=O)CCCCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000829669668 604380182 /nfs/dbraw/zinc/38/01/82/604380182.db2.gz PPTVOEQAEMTOIW-BDAKNGLRSA-N -1 0 309.340 -0.532 20 0 DBADRM CON(C)C(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[O-] ZINC000829054216 604388464 /nfs/dbraw/zinc/38/84/64/604388464.db2.gz AQUMMIWVSCRSEI-YUMQZZPRSA-N -1 0 307.372 -0.100 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000826721137 604393435 /nfs/dbraw/zinc/39/34/35/604393435.db2.gz PNLNMUJQQASPIH-RVBZMBCESA-N -1 0 301.343 -0.038 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCN([C@@H](C)C(=O)[O-])CC2)cn1C ZINC000051658317 604394215 /nfs/dbraw/zinc/39/42/15/604394215.db2.gz QLYQRRNSJBLWOE-VIFPVBQESA-N -1 0 316.383 -0.492 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000825014958 604399196 /nfs/dbraw/zinc/39/91/96/604399196.db2.gz BVQTYHUSRWTZBV-ZJUUUORDSA-N -1 0 321.399 -0.923 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000827016978 604400285 /nfs/dbraw/zinc/40/02/85/604400285.db2.gz USSICKDBLLLXDT-WDEREUQCSA-N -1 0 317.386 -0.611 20 0 DBADRM CN1CCN(C(=O)[C@@H](O)C2CCOCC2)[C@@H](CNC(=O)[O-])C1 ZINC000828489630 604402401 /nfs/dbraw/zinc/40/24/01/604402401.db2.gz UOXRTYFRDRHBEJ-RYUDHWBXSA-N -1 0 315.370 -0.816 20 0 DBADRM Cn1cc(/C=C/C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])cn1 ZINC000828495725 604404530 /nfs/dbraw/zinc/40/45/30/604404530.db2.gz RUYLILWOPOTDIW-PCAWENJQSA-N -1 0 307.354 -0.157 20 0 DBADRM Cn1cc(/C=C\C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])cn1 ZINC000828495726 604404998 /nfs/dbraw/zinc/40/49/98/604404998.db2.gz RUYLILWOPOTDIW-VSQXVHSFSA-N -1 0 307.354 -0.157 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)nc1Cl ZINC000760119836 604407430 /nfs/dbraw/zinc/40/74/30/604407430.db2.gz XULIJBKNGSWGFW-LURJTMIESA-N -1 0 309.731 -0.452 20 0 DBADRM CC(C)OC(=O)[C@H](C)N(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000824387792 604408207 /nfs/dbraw/zinc/40/82/07/604408207.db2.gz HXCBKSKIOHVDAK-AEJSXWLSSA-N -1 0 302.327 -0.102 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000831631693 604408618 /nfs/dbraw/zinc/40/86/18/604408618.db2.gz LWKAHMLNZJDFOX-VIFPVBQESA-N -1 0 311.747 -0.159 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c(=O)n(C)c1 ZINC000818835398 604409444 /nfs/dbraw/zinc/40/94/44/604409444.db2.gz KGSPYUXVUFGOJC-VIFPVBQESA-N -1 0 307.306 -0.435 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC1CN(C(=O)[O-])C1 ZINC000739469488 604412252 /nfs/dbraw/zinc/41/22/52/604412252.db2.gz PSZKRXQUHMKGMN-SECBINFHSA-N -1 0 321.355 -0.790 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000828508363 604415563 /nfs/dbraw/zinc/41/55/63/604415563.db2.gz CONKGHSRTIRKRB-JOYOIKCWSA-N -1 0 322.317 -0.069 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCn2ccnc2)CCO1 ZINC000825319528 604419490 /nfs/dbraw/zinc/41/94/90/604419490.db2.gz XNFHMFFNJIIABC-QWRGUYRKSA-N -1 0 311.342 -0.050 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H]2[C@H](C1)OCCN2C)C(=O)[O-] ZINC000828709376 604423523 /nfs/dbraw/zinc/42/35/23/604423523.db2.gz RCUIIPAKXJUXFE-OPDFLTKYSA-N -1 0 313.398 -0.383 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000829682384 604425578 /nfs/dbraw/zinc/42/55/78/604425578.db2.gz BLBOFDSNHPDPJO-UHFFFAOYSA-N -1 0 305.356 -0.673 20 0 DBADRM NS(=O)(=O)c1cccc(CNC(=O)C2(NC(=O)[O-])CC2)c1 ZINC000831260663 604428402 /nfs/dbraw/zinc/42/84/02/604428402.db2.gz QEIOQSWOQRAACL-UHFFFAOYSA-N -1 0 313.335 -0.250 20 0 DBADRM CCN1C(=O)CN(CN2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)C1=O ZINC000827200541 604438202 /nfs/dbraw/zinc/43/82/02/604438202.db2.gz UKWVUBUDXYNSBW-ZJUUUORDSA-N -1 0 314.342 -0.415 20 0 DBADRM CN(CCc1ccccn1)C(=O)CNC(=O)C1(NC(=O)[O-])CC1 ZINC000828341954 604449483 /nfs/dbraw/zinc/44/94/83/604449483.db2.gz WVBDYGQIRMUVJQ-UHFFFAOYSA-N -1 0 320.349 -0.001 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)NC2CN(C(=O)[O-])C2)n1 ZINC000827965780 604451216 /nfs/dbraw/zinc/45/12/16/604451216.db2.gz GFQFDNCHFSDCCQ-UHFFFAOYSA-N -1 0 310.314 -0.545 20 0 DBADRM C[C@H](CC(N)=O)Nc1ncnc(N[C@@H](C)CC(N)=O)c1C(=O)[O-] ZINC000827397977 604459575 /nfs/dbraw/zinc/45/95/75/604459575.db2.gz PKOZVMQMXBVOKZ-KNVOCYPGSA-N -1 0 324.341 -0.474 20 0 DBADRM C#CCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000037838428 604463534 /nfs/dbraw/zinc/46/35/34/604463534.db2.gz DLPQTIVVLSEDBK-UHFFFAOYSA-N -1 0 311.363 -0.337 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)C3(NC(=O)[O-])CC3)C2=O)cn1 ZINC000831004703 604466467 /nfs/dbraw/zinc/46/64/67/604466467.db2.gz QUDFEHHQBUDCDQ-VIFPVBQESA-N -1 0 307.310 -0.558 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830547012 604477973 /nfs/dbraw/zinc/47/79/73/604477973.db2.gz AXNXUXNVEMZFOH-UHFFFAOYSA-N -1 0 313.335 -0.021 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@@H](NC(=O)[O-])C2)C1=O ZINC000739074129 604478828 /nfs/dbraw/zinc/47/88/28/604478828.db2.gz IYPAIKSFHSEQEJ-YMTOWFKASA-N -1 0 324.337 -0.425 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCOC[C@@H]1CCO)C(=O)[O-] ZINC000833477593 604478859 /nfs/dbraw/zinc/47/88/59/604478859.db2.gz KTBYJPOIRUGVDP-RYUDHWBXSA-N -1 0 302.371 -0.315 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)[O-])C1)n1cccn1 ZINC000738605532 604479467 /nfs/dbraw/zinc/47/94/67/604479467.db2.gz WNUKLWHWFWWNNW-WDEREUQCSA-N -1 0 323.353 -0.229 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)N(C)CC2CC2)CCO1 ZINC000825361843 604489211 /nfs/dbraw/zinc/48/92/11/604489211.db2.gz UUCKVAZUHCUEOM-MWLCHTKSSA-N -1 0 321.399 -0.070 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000740586120 604490865 /nfs/dbraw/zinc/49/08/65/604490865.db2.gz KYFAUYBYVLTRLD-MRVPVSSYSA-N -1 0 318.289 -0.302 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)CCO1 ZINC000825361456 604492618 /nfs/dbraw/zinc/49/26/18/604492618.db2.gz SJMSQFLBAUFFRC-BDAKNGLRSA-N -1 0 318.355 -0.534 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000828509917 604492668 /nfs/dbraw/zinc/49/26/68/604492668.db2.gz VYBFVLZHSLCTAN-VXGBXAGGSA-N -1 0 314.382 -0.028 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)N2CCCC2)CCO1 ZINC000825358294 604493391 /nfs/dbraw/zinc/49/33/91/604493391.db2.gz FNUAWYUXAOFBGB-VHSXEESVSA-N -1 0 307.372 -0.316 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)c2c[nH]cn2)CCO1 ZINC000825358268 604493415 /nfs/dbraw/zinc/49/34/15/604493415.db2.gz FMCXJVUFJZJRHL-HTQZYQBOSA-N -1 0 304.328 -0.545 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000825359128 604495477 /nfs/dbraw/zinc/49/54/77/604495477.db2.gz JTKMIBGQUAAITF-NXEZZACHSA-N -1 0 309.388 -0.072 20 0 DBADRM CNC(=O)[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)C ZINC000830979289 604508020 /nfs/dbraw/zinc/50/80/20/604508020.db2.gz SWTWDNPJNUXFSE-SNVBAGLBSA-N -1 0 321.399 -0.612 20 0 DBADRM CNC(=O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(C)C ZINC000830979538 604508140 /nfs/dbraw/zinc/50/81/40/604508140.db2.gz YSAYBXFLDUXESK-SNVBAGLBSA-N -1 0 317.367 -0.228 20 0 DBADRM NC(=O)COc1cccc(CNC(=O)C2(NC(=O)[O-])CC2)c1 ZINC000831194465 604509291 /nfs/dbraw/zinc/50/92/91/604509291.db2.gz NCMGPAGLZNRVNQ-UHFFFAOYSA-N -1 0 307.306 -0.033 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1nc(N)nc(N(C)C)n1 ZINC000827021862 604515847 /nfs/dbraw/zinc/51/58/47/604515847.db2.gz KXVHTAQWFGGRNA-SECBINFHSA-N -1 0 312.374 -0.170 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCc2ccc(F)cn2)C(=O)C1 ZINC000831488596 604516357 /nfs/dbraw/zinc/51/63/57/604516357.db2.gz IFHMPGYYTYTZPZ-UHFFFAOYSA-N -1 0 310.285 -0.341 20 0 DBADRM COCCN(CC(=O)N1CCN2C(=O)OC[C@@H]2C1)C(=O)[O-] ZINC000828970791 604521541 /nfs/dbraw/zinc/52/15/41/604521541.db2.gz GMQNNPNZGOMIKO-VIFPVBQESA-N -1 0 301.299 -0.724 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC000833501548 604522213 /nfs/dbraw/zinc/52/22/13/604522213.db2.gz BWAGUWZJFQINMK-UHFFFAOYSA-N -1 0 322.365 -0.118 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000831283039 604522546 /nfs/dbraw/zinc/52/25/46/604522546.db2.gz JNPNIGZJBUDXIE-JGVFFNPUSA-N -1 0 301.324 -0.298 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCc2ccnn2C)CCO1 ZINC000825317742 604534048 /nfs/dbraw/zinc/53/40/48/604534048.db2.gz JQZXBNVWTLDEAW-MWLCHTKSSA-N -1 0 311.342 -0.013 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NC[C@H]2CCCS2(=O)=O)CCO1 ZINC000134129535 604538099 /nfs/dbraw/zinc/53/80/99/604538099.db2.gz IPMYLGQZXROCCL-VHSXEESVSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])N1CCN(C(=O)NC[C@H]2CCCS2(=O)=O)CC1 ZINC000832024906 604538642 /nfs/dbraw/zinc/53/86/42/604538642.db2.gz QITSWAFVUKIAQR-SECBINFHSA-N -1 0 305.356 -0.431 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCc2cnn(C)c2)CCO1 ZINC000825319266 604539310 /nfs/dbraw/zinc/53/93/10/604539310.db2.gz UERLBVNFFLMGMN-GXSJLCMTSA-N -1 0 311.342 -0.013 20 0 DBADRM COCCOCCNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829001534 604541768 /nfs/dbraw/zinc/54/17/68/604541768.db2.gz AUUFDQFRVQCFPZ-GHMZBOCLSA-N -1 0 319.358 -0.284 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCS(C)(=O)=O)CCO1 ZINC000825318975 604543125 /nfs/dbraw/zinc/54/31/25/604543125.db2.gz QYHQOENNRPRNLB-DTWKUNHWSA-N -1 0 323.371 -0.903 20 0 DBADRM CN1CC[C@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)C1=O ZINC000830923291 604543159 /nfs/dbraw/zinc/54/31/59/604543159.db2.gz GEBTVKMNMGEFCB-ZETCQYMHSA-N -1 0 311.319 -0.268 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)CN(CCOC)C(=O)[O-])C1 ZINC000827250411 604545212 /nfs/dbraw/zinc/54/52/12/604545212.db2.gz RSHMAXXKOMOLOW-JTQLQIEISA-N -1 0 316.358 -0.467 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@H]1CCCCO1 ZINC000833247983 604545466 /nfs/dbraw/zinc/54/54/66/604545466.db2.gz FSZHZGHNZDQEKE-LBPRGKRZSA-N -1 0 300.355 -0.199 20 0 DBADRM CC1(C)CN(CN(CCN2CCOCC2)CC(=O)[O-])C(=O)O1 ZINC000833561495 604546343 /nfs/dbraw/zinc/54/63/43/604546343.db2.gz LPXQBJAPBQUZFJ-UHFFFAOYSA-N -1 0 315.370 -0.107 20 0 DBADRM C[C@H](CCNC(=O)N1C[C@H]2OCCN(C)[C@H]2C1)NC(=O)[O-] ZINC000824785650 604547999 /nfs/dbraw/zinc/54/79/99/604547999.db2.gz GWWILYWWCPPUBG-OUAUKWLOSA-N -1 0 300.359 -0.243 20 0 DBADRM CC1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)OCCO1 ZINC000716792791 604549098 /nfs/dbraw/zinc/54/90/98/604549098.db2.gz JHOOJHVCNBCYAW-UHFFFAOYSA-N -1 0 308.356 -0.620 20 0 DBADRM CC[S@](=O)CCNC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827486963 604553458 /nfs/dbraw/zinc/55/34/58/604553458.db2.gz BKKIIGOICYMDNV-FRGLDACASA-N -1 0 321.399 -0.179 20 0 DBADRM Cc1nc(CNC(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)no1 ZINC000830756671 604556789 /nfs/dbraw/zinc/55/67/89/604556789.db2.gz HGECRVOKPCBSPL-VXNVDRBHSA-N -1 0 313.314 -0.055 20 0 DBADRM Cc1nc(CNC(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)no1 ZINC000830756670 604556809 /nfs/dbraw/zinc/55/68/09/604556809.db2.gz HGECRVOKPCBSPL-IONNQARKSA-N -1 0 313.314 -0.055 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N(CC(=O)[O-])C1CC1 ZINC000262111194 604559367 /nfs/dbraw/zinc/55/93/67/604559367.db2.gz IPMBDLCVQOIOLD-UHFFFAOYSA-N -1 0 308.356 -0.982 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000831705551 604564678 /nfs/dbraw/zinc/56/46/78/604564678.db2.gz QZLXMDMIRRUGSL-SNVBAGLBSA-N -1 0 322.383 -0.592 20 0 DBADRM CCN(CCCNC(=O)NC1CN(C(=O)[O-])C1)S(C)(=O)=O ZINC000827124342 604574432 /nfs/dbraw/zinc/57/44/32/604574432.db2.gz PRAJADQWIMTBPY-UHFFFAOYSA-N -1 0 322.387 -0.681 20 0 DBADRM COCCN(CC(=O)N1C[C@@H]2OCCN(C)[C@H]2C1)C(=O)[O-] ZINC000828970619 604583202 /nfs/dbraw/zinc/58/32/02/604583202.db2.gz BVIMWKGVDPGJQF-QWRGUYRKSA-N -1 0 301.343 -0.846 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)N2CCC[C@H]2CC(=O)[O-])CC1 ZINC000833087560 604585104 /nfs/dbraw/zinc/58/51/04/604585104.db2.gz DDZOCUVCIWGGCH-JTQLQIEISA-N -1 0 319.383 -0.632 20 0 DBADRM C[C@@H](O)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000833739095 604597278 /nfs/dbraw/zinc/59/72/78/604597278.db2.gz FZZKKTIIAQWQAN-LDYMZIIASA-N -1 0 308.290 -0.638 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CC(=O)Nc2nncs2)CCO1 ZINC000825352804 604600572 /nfs/dbraw/zinc/60/05/72/604600572.db2.gz TUMXCQGDDDGGBL-YUMQZZPRSA-N -1 0 315.355 -0.167 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833689813 604601088 /nfs/dbraw/zinc/60/10/88/604601088.db2.gz YRCITZOIJRJIOU-UHFFFAOYSA-N -1 0 301.324 0.000 20 0 DBADRM COCC(=O)NC1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000828881368 604605155 /nfs/dbraw/zinc/60/51/55/604605155.db2.gz XYLIQGAVHLXWMM-UHFFFAOYSA-N -1 0 314.342 -0.715 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)NC1CN(C(=O)[O-])C1)CC2 ZINC000831050697 604608213 /nfs/dbraw/zinc/60/82/13/604608213.db2.gz PCECXQIGPHLYOI-UHFFFAOYSA-N -1 0 307.310 -0.790 20 0 DBADRM C[C@H]1CN(C(=O)NC2CN(C(=O)[O-])C2)C[C@H]1N1CCOCC1 ZINC000825995352 604613595 /nfs/dbraw/zinc/61/35/95/604613595.db2.gz GQZIKQSJSAXOLP-CMPLNLGQSA-N -1 0 312.370 -0.289 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CC(=O)NC2CCOCC2)CCO1 ZINC000825345188 604615543 /nfs/dbraw/zinc/61/55/43/604615543.db2.gz RYQCPQIWFONIDT-JQWIXIFHSA-N -1 0 315.370 -0.362 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000828573575 604617911 /nfs/dbraw/zinc/61/79/11/604617911.db2.gz UAFBKONFYDTNLI-SECBINFHSA-N -1 0 320.371 -0.928 20 0 DBADRM CCS(=O)(=O)NCCN1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827475884 604632322 /nfs/dbraw/zinc/63/23/22/604632322.db2.gz QMBBSWUWPOQORX-ZJUUUORDSA-N -1 0 309.388 -0.717 20 0 DBADRM Cc1cc(N2CCN(C)C[C@H]2CNC(=O)[O-])n2ncnc2n1 ZINC000830085689 604632666 /nfs/dbraw/zinc/63/26/66/604632666.db2.gz UCHACOYYJDYBQT-SNVBAGLBSA-N -1 0 305.342 -0.179 20 0 DBADRM CCOC(=O)C[C@@H](C)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000827307169 604638880 /nfs/dbraw/zinc/63/88/80/604638880.db2.gz ZFNWPOLRJKGKJO-SECBINFHSA-N -1 0 315.326 -0.734 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCCN1CCOCC1 ZINC000831381570 604643392 /nfs/dbraw/zinc/64/33/92/604643392.db2.gz MEVAXEPVBJYIFY-NSHDSACASA-N -1 0 301.343 -0.796 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1)N1CCOCC1 ZINC000823906490 604649608 /nfs/dbraw/zinc/64/96/08/604649608.db2.gz DPSHOQMVHHYXRX-NSHDSACASA-N -1 0 315.370 -0.408 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000831756571 604649813 /nfs/dbraw/zinc/64/98/13/604649813.db2.gz DBBOEXXECIAREQ-LLVKDONJSA-N -1 0 318.293 -0.020 20 0 DBADRM NC(=O)c1ccc(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831223094 604653445 /nfs/dbraw/zinc/65/34/45/604653445.db2.gz VVRDVEPWQMPRJH-LLVKDONJSA-N -1 0 307.306 -0.220 20 0 DBADRM COc1coc(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1=O ZINC000829655108 604653865 /nfs/dbraw/zinc/65/38/65/604653865.db2.gz QGLMUKZYIXNKGM-CBAPKCEASA-N -1 0 313.262 -0.195 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)N[C@@H]1CCS(=O)(=O)C1 ZINC000831383098 604658837 /nfs/dbraw/zinc/65/88/37/604658837.db2.gz TZRZOTMYJUKGEK-BDAKNGLRSA-N -1 0 306.340 -0.941 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])n1 ZINC000831807757 604659751 /nfs/dbraw/zinc/65/97/51/604659751.db2.gz VROVFSTXZIFRIA-JTQLQIEISA-N -1 0 324.337 -0.066 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCOC2(CCOCC2)C1)C(=O)[O-] ZINC000827547485 604663739 /nfs/dbraw/zinc/66/37/39/604663739.db2.gz STSQXBAHAODAIU-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000829721579 604663784 /nfs/dbraw/zinc/66/37/84/604663784.db2.gz BDYIGQOIJVHJRU-AXFHLTTASA-N -1 0 317.411 -0.083 20 0 DBADRM CN(CC(=O)N1CCCC1)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828090952 604664201 /nfs/dbraw/zinc/66/42/01/604664201.db2.gz SWNFJPORKUMTDG-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM CN(C)C(=O)[C@H]1CCCN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000827954698 604665739 /nfs/dbraw/zinc/66/57/39/604665739.db2.gz XOGVRIMMJAMRJO-WDEREUQCSA-N -1 0 313.354 -0.166 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN2CCCNC2=O)CCO1 ZINC000825303246 604671105 /nfs/dbraw/zinc/67/11/05/604671105.db2.gz UTCVUGVBCVORAL-UWVGGRQHSA-N -1 0 314.342 -0.715 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CN2CCCNC2=O)CCO1 ZINC000825303245 604671108 /nfs/dbraw/zinc/67/11/08/604671108.db2.gz UTCVUGVBCVORAL-NXEZZACHSA-N -1 0 314.342 -0.715 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCO1 ZINC000825335017 604673426 /nfs/dbraw/zinc/67/34/26/604673426.db2.gz LPLVKCPHACLLSY-GZMMTYOYSA-N -1 0 322.321 -0.322 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCNC(=O)c2ccco2)C1 ZINC000831689498 604676192 /nfs/dbraw/zinc/67/61/92/604676192.db2.gz SETQMHZLABVYAZ-JTQLQIEISA-N -1 0 311.294 -0.496 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc3nnnn3c2)CCO1 ZINC000825334289 604679392 /nfs/dbraw/zinc/67/93/92/604679392.db2.gz GZINWTWXPRNRJD-SCZZXKLOSA-N -1 0 320.309 -0.379 20 0 DBADRM CCN1C[C@H](C(=O)O[C@@H](C)c2cn(CC(=O)[O-])nn2)CC1=O ZINC000829746430 604682614 /nfs/dbraw/zinc/68/26/14/604682614.db2.gz XLJHYOBGRIXCPP-DTWKUNHWSA-N -1 0 310.310 -0.165 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000825294539 604684436 /nfs/dbraw/zinc/68/44/36/604684436.db2.gz MBWUJPDHFDSESI-GUBZILKMSA-N -1 0 320.367 -0.695 20 0 DBADRM CC(C)C(=O)NCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833467245 604685324 /nfs/dbraw/zinc/68/53/24/604685324.db2.gz LAAFBYCIWNAXNG-UHFFFAOYSA-N -1 0 315.351 -0.170 20 0 DBADRM CC(C)CN(CC(N)=O)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824252240 604690525 /nfs/dbraw/zinc/69/05/25/604690525.db2.gz WPICKZVNFMTLRX-SNVBAGLBSA-N -1 0 301.343 -0.275 20 0 DBADRM COC(=O)N(C)CC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828699687 604690877 /nfs/dbraw/zinc/69/08/77/604690877.db2.gz JNTMFNFUKLZOSR-BDAKNGLRSA-N -1 0 303.315 -0.432 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827471478 604691029 /nfs/dbraw/zinc/69/10/29/604691029.db2.gz IXCMLXXXOPUPAW-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CCO1 ZINC000825342861 604692091 /nfs/dbraw/zinc/69/20/91/604692091.db2.gz FEDBDXFCNXYRPV-SFYZADRCSA-N -1 0 323.309 -0.927 20 0 DBADRM CNC(=O)C1(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)CCC1 ZINC000828526100 604694512 /nfs/dbraw/zinc/69/45/12/604694512.db2.gz GYEYHEZNOVKJSW-ZJUUUORDSA-N -1 0 313.354 -0.214 20 0 DBADRM C[C@@H](OC(=O)c1ccn(C)c(=O)c1)c1cn(CC(=O)[O-])nn1 ZINC000827867216 604694884 /nfs/dbraw/zinc/69/48/84/604694884.db2.gz MXCOPSVLCTTYEF-MRVPVSSYSA-N -1 0 306.278 -0.021 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)[C@@H]2CCc3c[nH]nc3C2)nn1 ZINC000833272973 604695631 /nfs/dbraw/zinc/69/56/31/604695631.db2.gz ZJGLYXLQZPNISS-SECBINFHSA-N -1 0 319.321 -0.023 20 0 DBADRM C[C@H](OC(=O)c1ccc(C(N)=O)cn1)c1cn(CC(=O)[O-])nn1 ZINC000827854518 604696080 /nfs/dbraw/zinc/69/60/80/604696080.db2.gz YLHNMHULZAROJA-ZETCQYMHSA-N -1 0 319.277 -0.225 20 0 DBADRM C[C@H](OC(=O)CCN1CCCC1=O)c1cn(CC(=O)[O-])nn1 ZINC000827833686 604696113 /nfs/dbraw/zinc/69/61/13/604696113.db2.gz MQULVWZUAPRKFI-VIFPVBQESA-N -1 0 310.310 -0.021 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)c2ccc3nncn3c2)nn1 ZINC000833269833 604696680 /nfs/dbraw/zinc/69/66/80/604696680.db2.gz NPJYLITUZQRNTA-UHFFFAOYSA-N -1 0 316.277 -0.195 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)CCN2CCCC2=O)nn1 ZINC000833271235 604698039 /nfs/dbraw/zinc/69/80/39/604698039.db2.gz BVNAESXXQMIOIU-UHFFFAOYSA-N -1 0 310.310 -0.539 20 0 DBADRM Cc1cc(OCC(=O)OCCc2cn(CC(=O)[O-])nn2)no1 ZINC000832901094 604699462 /nfs/dbraw/zinc/69/94/62/604699462.db2.gz UMMMVJWCTJWYQJ-UHFFFAOYSA-N -1 0 310.266 -0.176 20 0 DBADRM CNC(=O)[C@@H]1CCCCN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828532239 604701344 /nfs/dbraw/zinc/70/13/44/604701344.db2.gz OHFLEMUUZGHEHC-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM CCn1nc(C(=O)OCCc2cn(CC(=O)[O-])nn2)ccc1=O ZINC000830435514 604702680 /nfs/dbraw/zinc/70/26/80/604702680.db2.gz OKOGBRQDVGBNRS-UHFFFAOYSA-N -1 0 321.293 -0.661 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCN2CCOC2=O)CCO1 ZINC000825302353 604705252 /nfs/dbraw/zinc/70/52/52/604705252.db2.gz POAZGWDKFVLLFC-UWVGGRQHSA-N -1 0 315.326 -0.288 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826949176 604707308 /nfs/dbraw/zinc/70/73/08/604707308.db2.gz KTAZSXLBNVUKBR-OPRDCNLKSA-N -1 0 316.358 -0.293 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000826949175 604707423 /nfs/dbraw/zinc/70/74/23/604707423.db2.gz KTAZSXLBNVUKBR-IVZWLZJFSA-N -1 0 316.358 -0.293 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)Cn2cccnc2=O)CCO1 ZINC000825310365 604711294 /nfs/dbraw/zinc/71/12/94/604711294.db2.gz NZCCIKQMDAXULN-UWVGGRQHSA-N -1 0 310.310 -0.873 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824908046 604711508 /nfs/dbraw/zinc/71/15/08/604711508.db2.gz PZDTXTOKMPIYHY-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCCn2cncn2)CCO1 ZINC000825302185 604712763 /nfs/dbraw/zinc/71/27/63/604712763.db2.gz NWSGZLANGQQSEX-QWRGUYRKSA-N -1 0 311.342 -0.058 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CN2CCCCC2=O)CCO1 ZINC000825303445 604712800 /nfs/dbraw/zinc/71/28/00/604712800.db2.gz VZUZXVISAMIWCI-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CCCn2cncn2)CCO1 ZINC000825302183 604712821 /nfs/dbraw/zinc/71/28/21/604712821.db2.gz NWSGZLANGQQSEX-GHMZBOCLSA-N -1 0 311.342 -0.058 20 0 DBADRM CCS(=O)(=O)CCN(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000833665426 604712852 /nfs/dbraw/zinc/71/28/52/604712852.db2.gz HXKFCHQCLSQCIO-UHFFFAOYSA-N -1 0 324.380 -0.232 20 0 DBADRM CCS(=O)(=O)CCN(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000833666556 604712869 /nfs/dbraw/zinc/71/28/69/604712869.db2.gz ZFFJKIKSZKCRNC-UHFFFAOYSA-N -1 0 316.401 -0.996 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CCCN1C(=O)CCC1=O ZINC000829945785 604713288 /nfs/dbraw/zinc/71/32/88/604713288.db2.gz FXTWKGVEEMJZIC-SNVBAGLBSA-N -1 0 314.338 -0.136 20 0 DBADRM CN([C@H]1CCNC1=O)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833692461 604714356 /nfs/dbraw/zinc/71/43/56/604714356.db2.gz XAAYFFIIVQMMOJ-LURJTMIESA-N -1 0 304.349 -0.045 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)Cn1c(C)cc(O)cc1=O ZINC000829960317 604719397 /nfs/dbraw/zinc/71/93/97/604719397.db2.gz FPQMKTCXKMWXPF-NSHDSACASA-N -1 0 312.322 -0.190 20 0 DBADRM NC(=O)CC1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831185402 604719586 /nfs/dbraw/zinc/71/95/86/604719586.db2.gz UXHWXPMGPJUUPE-NSHDSACASA-N -1 0 313.354 -0.131 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CSc1nncn1C ZINC000829954777 604724186 /nfs/dbraw/zinc/72/41/86/604724186.db2.gz KMXJOZKIWLZFOV-QMMMGPOBSA-N -1 0 302.356 -0.145 20 0 DBADRM COc1ncc(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)cn1 ZINC000829659876 604725438 /nfs/dbraw/zinc/72/54/38/604725438.db2.gz GKBMJOIPUIIVFE-PSASIEDQSA-N -1 0 310.310 -0.018 20 0 DBADRM C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC(O)(C(=O)[O-])CC1 ZINC000833549941 604729259 /nfs/dbraw/zinc/72/92/59/604729259.db2.gz IYHRERRLNYHVID-QMMMGPOBSA-N -1 0 310.358 -0.508 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000829941256 604733718 /nfs/dbraw/zinc/73/37/18/604733718.db2.gz YVJSBQMXCOFSRM-VHSXEESVSA-N -1 0 301.343 -0.275 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)Cn1cc(C(=O)OC)nn1 ZINC000829961321 604734506 /nfs/dbraw/zinc/73/45/06/604734506.db2.gz QQCRODZUDNVSTB-VIFPVBQESA-N -1 0 314.298 -0.987 20 0 DBADRM COC(=O)C1(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)CCCC1 ZINC000828623310 604742105 /nfs/dbraw/zinc/74/21/05/604742105.db2.gz BQBWAQZSURRKSW-SECBINFHSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC1CN(C(=O)[O-])C1 ZINC000740370805 604745739 /nfs/dbraw/zinc/74/57/39/604745739.db2.gz ZFAIEBCSYGROSS-UHFFFAOYSA-N -1 0 324.337 -0.281 20 0 DBADRM COC(=O)C1(O)CCN(C(=O)CCCN(C)C(=O)[O-])CC1 ZINC000833702077 604750839 /nfs/dbraw/zinc/75/08/39/604750839.db2.gz ONJQWGOKZYAAJU-UHFFFAOYSA-N -1 0 302.327 -0.097 20 0 DBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)NC1CN(C(=O)[O-])C1 ZINC000740375473 604757742 /nfs/dbraw/zinc/75/77/42/604757742.db2.gz VMVVIKNHKHCTID-UHFFFAOYSA-N -1 0 321.289 -0.377 20 0 DBADRM O=C([O-])NC1(C(=O)OCC(=O)NCC(=O)N2CCCC2)CC1 ZINC000832187060 604761818 /nfs/dbraw/zinc/76/18/18/604761818.db2.gz UKUNHKRHPFETFH-UHFFFAOYSA-N -1 0 313.310 -0.932 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000825176736 604764369 /nfs/dbraw/zinc/76/43/69/604764369.db2.gz ATERTDQUKDGWHH-SNVBAGLBSA-N -1 0 300.359 -0.735 20 0 DBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)NC1CN(C(=O)[O-])C1 ZINC000740370269 604766897 /nfs/dbraw/zinc/76/68/97/604766897.db2.gz UQWNNQWPUQTHNK-UHFFFAOYSA-N -1 0 310.310 -0.671 20 0 DBADRM CCCN(C)S(=O)(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000826892934 604768685 /nfs/dbraw/zinc/76/86/85/604768685.db2.gz MVRDTRPLDUYEJE-SNVBAGLBSA-N -1 0 308.404 -0.543 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cn(C)c(=O)n(C)c1=O ZINC000833504209 604770520 /nfs/dbraw/zinc/77/05/20/604770520.db2.gz AESICEQRMWXYMC-NSHDSACASA-N -1 0 313.354 -0.606 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(c1ccc(C(=O)NCCO)nn1)CC2 ZINC000833141458 604775429 /nfs/dbraw/zinc/77/54/29/604775429.db2.gz WSXQXPBKRBKZDZ-SNVBAGLBSA-N -1 0 320.349 -0.110 20 0 DBADRM O=C([O-])N1CC(NC(=O)CCn2nnc3ccccc3c2=O)C1 ZINC000740369429 604776644 /nfs/dbraw/zinc/77/66/44/604776644.db2.gz YGAWMMSDXLIGCL-UHFFFAOYSA-N -1 0 317.305 -0.340 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)NC2CN(C(=O)[O-])C2)nn1 ZINC000823748747 604777586 /nfs/dbraw/zinc/77/75/86/604777586.db2.gz CTPIKSBYIRAOSW-UHFFFAOYSA-N -1 0 309.326 -0.015 20 0 DBADRM CC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823574958 604780121 /nfs/dbraw/zinc/78/01/21/604780121.db2.gz LCDLHPPWZKIEKC-NEPJUHHUSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(=O)NCCNC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000823580270 604780123 /nfs/dbraw/zinc/78/01/23/604780123.db2.gz QLMJJEOOJSDILS-WPRPVWTQSA-N -1 0 302.331 -0.811 20 0 DBADRM C[C@H](C(=O)NCCNC(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC000823695597 604780188 /nfs/dbraw/zinc/78/01/88/604780188.db2.gz XZFZXINDZOPKTG-MRVPVSSYSA-N -1 0 308.356 -0.648 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823574960 604780257 /nfs/dbraw/zinc/78/02/57/604780257.db2.gz LCDLHPPWZKIEKC-RYUDHWBXSA-N -1 0 313.354 -0.260 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)c1cnc(C(=O)[O-])cn1 ZINC000263264981 604785272 /nfs/dbraw/zinc/78/52/72/604785272.db2.gz KPZXCXBZLTZSOT-ZETCQYMHSA-N -1 0 301.324 -0.272 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCCNc2ncccn2)C1 ZINC000831675992 604788026 /nfs/dbraw/zinc/78/80/26/604788026.db2.gz KJAYCMXTJHLNFL-JTQLQIEISA-N -1 0 309.326 -0.226 20 0 DBADRM O=C([O-])Cn1cc(CCn2c(=O)onc2-c2ncccn2)nn1 ZINC000833273346 604789953 /nfs/dbraw/zinc/78/99/53/604789953.db2.gz KETRBNLYPLMRNZ-UHFFFAOYSA-N -1 0 317.265 -0.788 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCN(CC(F)F)CC2)C1 ZINC000832050206 604790306 /nfs/dbraw/zinc/79/03/06/604790306.db2.gz NWGWWJNTKUEENB-VIFPVBQESA-N -1 0 307.297 -0.226 20 0 DBADRM CCC(CC)(NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C(N)=O ZINC000826566892 604792562 /nfs/dbraw/zinc/79/25/62/604792562.db2.gz ZVVHXISQYOJPHD-SECBINFHSA-N -1 0 301.343 -0.084 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000823755085 604798652 /nfs/dbraw/zinc/79/86/52/604798652.db2.gz WRFFZQQRIYLXCK-SECBINFHSA-N -1 0 301.343 -0.356 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000830893082 604803094 /nfs/dbraw/zinc/80/30/94/604803094.db2.gz JPYOELKVPRVZTH-NXEZZACHSA-N -1 0 309.326 -0.604 20 0 DBADRM C[C@H]1OCC[C@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000833634537 604805482 /nfs/dbraw/zinc/80/54/82/604805482.db2.gz MXGFRSNIUNRALN-VXGBXAGGSA-N -1 0 300.355 -0.343 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCCSCCCO)C(=O)C1 ZINC000831488747 604810287 /nfs/dbraw/zinc/81/02/87/604810287.db2.gz JTOWTHBVWLYWAI-UHFFFAOYSA-N -1 0 319.383 -0.960 20 0 DBADRM CC(C)N1C[C@H](NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1=O ZINC000824357014 604810305 /nfs/dbraw/zinc/81/03/05/604810305.db2.gz LBWXESVXIAOIRR-MNOVXSKESA-N -1 0 313.354 -0.119 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1=O ZINC000824357016 604810352 /nfs/dbraw/zinc/81/03/52/604810352.db2.gz LBWXESVXIAOIRR-WDEREUQCSA-N -1 0 313.354 -0.119 20 0 DBADRM CNC(=O)C1(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCCC1 ZINC000828533092 604810894 /nfs/dbraw/zinc/81/08/94/604810894.db2.gz ZWETYZXSYMYEOD-JTQLQIEISA-N -1 0 313.354 -0.070 20 0 DBADRM NC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000831208003 604811191 /nfs/dbraw/zinc/81/11/91/604811191.db2.gz IHEBYOCEZLODNA-NXEZZACHSA-N -1 0 314.342 -0.585 20 0 DBADRM NC(=O)N1CCCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831200162 604812400 /nfs/dbraw/zinc/81/24/00/604812400.db2.gz USNXTPVAEDOSSI-JTQLQIEISA-N -1 0 314.342 -0.632 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828704317 604812454 /nfs/dbraw/zinc/81/24/54/604812454.db2.gz JYJXLKOELPASIF-VHSXEESVSA-N -1 0 315.326 -0.288 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@@H](C3OCCO3)C2)C1 ZINC000832049624 604813335 /nfs/dbraw/zinc/81/33/35/604813335.db2.gz HJYXUKLXEPRHIH-MNOVXSKESA-N -1 0 314.338 -0.023 20 0 DBADRM CCNC(=O)CN1CCN([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC000829790396 604823063 /nfs/dbraw/zinc/82/30/63/604823063.db2.gz SHPNZUJZWBVGNX-CQSZACIVSA-N -1 0 306.366 -0.039 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828341932 604823538 /nfs/dbraw/zinc/82/35/38/604823538.db2.gz WFTRWBDJAOXWPD-SECBINFHSA-N -1 0 308.356 -0.742 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCC(=O)N1CCCCC1 ZINC000831383034 604827047 /nfs/dbraw/zinc/82/70/47/604827047.db2.gz SNQMKXAPMTUKPS-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000833179051 604830747 /nfs/dbraw/zinc/83/07/47/604830747.db2.gz LHMFHCXVZPQTLY-VHSXEESVSA-N -1 0 313.335 -0.803 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000830978547 604837113 /nfs/dbraw/zinc/83/71/13/604837113.db2.gz IACLPEJNXNLEEM-SSDOTTSWSA-N -1 0 315.355 -0.859 20 0 DBADRM CC(C)c1nnnn1CC(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000827175103 604838246 /nfs/dbraw/zinc/83/82/46/604838246.db2.gz BNUXXVJILSBAIE-UHFFFAOYSA-N -1 0 323.313 -0.742 20 0 DBADRM COC(=O)CSCCNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828693752 604838914 /nfs/dbraw/zinc/83/89/14/604838914.db2.gz BPHLVHMJDATCQI-SECBINFHSA-N -1 0 320.367 -0.222 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)C2(C(=O)NC3CC3)CC2)nn1 ZINC000833270753 604839714 /nfs/dbraw/zinc/83/97/14/604839714.db2.gz ZVMUSMUYWJUYFL-UHFFFAOYSA-N -1 0 322.321 -0.493 20 0 DBADRM Cc1nnc2n1CCN(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)C2 ZINC000830892851 604841780 /nfs/dbraw/zinc/84/17/80/604841780.db2.gz GEFRIZCYCLFEGP-JTQLQIEISA-N -1 0 309.326 -0.302 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCCN2C(=O)CCC2=O)C1 ZINC000831671924 604843372 /nfs/dbraw/zinc/84/33/72/604843372.db2.gz NSUYQTURBHRUGN-VIFPVBQESA-N -1 0 313.310 -0.980 20 0 DBADRM CCn1cnnc1CCNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827711303 604850162 /nfs/dbraw/zinc/85/01/62/604850162.db2.gz OXKORUOFXFVZQI-SNVBAGLBSA-N -1 0 311.342 -0.274 20 0 DBADRM CCOC(=O)[C@H](C)N(C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000827282610 604857347 /nfs/dbraw/zinc/85/73/47/604857347.db2.gz HIZMIMBVVZNWON-VIFPVBQESA-N -1 0 315.326 -0.781 20 0 DBADRM CCOC(=O)[C@@H](C)N(C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000827282606 604857474 /nfs/dbraw/zinc/85/74/74/604857474.db2.gz HIZMIMBVVZNWON-SECBINFHSA-N -1 0 315.326 -0.781 20 0 DBADRM CC(C)COC[C@@H](O)CNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833487419 604857805 /nfs/dbraw/zinc/85/78/05/604857805.db2.gz CUHMLQIDRAUPBS-VIFPVBQESA-N -1 0 300.315 -0.874 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000825015952 604859301 /nfs/dbraw/zinc/85/93/01/604859301.db2.gz LEGXDBMMRYZGOV-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM CCCCn1nccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000820317242 604861237 /nfs/dbraw/zinc/86/12/37/604861237.db2.gz QVUYRRUPWQGJAX-SNVBAGLBSA-N -1 0 324.337 -0.066 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000824809785 604873222 /nfs/dbraw/zinc/87/32/22/604873222.db2.gz KIOQJHLRCVERKA-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM CNC(=O)CNC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828543300 604875266 /nfs/dbraw/zinc/87/52/66/604875266.db2.gz SNLHNNZGZDGSGP-JGVFFNPUSA-N -1 0 302.331 -0.465 20 0 DBADRM CNC(=O)CCNC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828537206 604876887 /nfs/dbraw/zinc/87/68/87/604876887.db2.gz DGCSVBMUUOKNDP-RKDXNWHRSA-N -1 0 316.358 -0.075 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NC[C@]2(CCO)CCOC2)C1 ZINC000831629093 604882274 /nfs/dbraw/zinc/88/22/74/604882274.db2.gz XQAHMWOFALSIBN-MFKMUULPSA-N -1 0 301.343 -0.173 20 0 DBADRM C[C@@H](OC(=O)c1ccc(C(N)=O)o1)c1cn(CC(=O)[O-])nn1 ZINC000833533233 604886352 /nfs/dbraw/zinc/88/63/52/604886352.db2.gz WIJUMYGSKRKTPX-ZCFIWIBFSA-N -1 0 308.250 -0.027 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CN(C(=O)[O-])CCO1)S(C)(=O)=O ZINC000823906514 604887035 /nfs/dbraw/zinc/88/70/35/604887035.db2.gz FMZGCRDAUIYLEF-MRVPVSSYSA-N -1 0 308.356 -0.695 20 0 DBADRM CC(C)(CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)S(C)(=O)=O ZINC000823907468 604887273 /nfs/dbraw/zinc/88/72/73/604887273.db2.gz PRIPJJSHHGCAFD-SECBINFHSA-N -1 0 322.383 -0.305 20 0 DBADRM CC[S@](=O)CCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833667203 604892909 /nfs/dbraw/zinc/89/29/09/604892909.db2.gz HFSHDUYWISRUBO-SBKAZYGRSA-N -1 0 306.384 -0.378 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)N[C@H]1CCCS(=O)(=O)C1 ZINC000831374166 604893749 /nfs/dbraw/zinc/89/37/49/604893749.db2.gz HOJDOBJQRXUPQA-VHSXEESVSA-N -1 0 320.367 -0.551 20 0 DBADRM COc1ccc([C@H](O)CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000829310962 604895337 /nfs/dbraw/zinc/89/53/37/604895337.db2.gz KLTFQVBWGKUSNM-RAIGVLPGSA-N -1 0 324.333 -0.042 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCCO[C@@H]2CCOC2)C1 ZINC000831680048 604895404 /nfs/dbraw/zinc/89/54/04/604895404.db2.gz ATYAEUJGLBTKTO-MNOVXSKESA-N -1 0 302.327 -0.323 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@@H](O)COc1ccccc1 ZINC000831621643 604897530 /nfs/dbraw/zinc/89/75/30/604897530.db2.gz OPYLVJIOQZFWKD-YPMHNXCESA-N -1 0 324.333 -0.079 20 0 DBADRM O=C([O-])c1cncc(NC(=O)CN2CCS(=O)(=O)CC2)c1 ZINC000833109218 604900551 /nfs/dbraw/zinc/90/05/51/604900551.db2.gz NDKFHTKURVBNFJ-UHFFFAOYSA-N -1 0 313.335 -0.551 20 0 DBADRM C[C@H](C(N)=O)N(C)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000833408525 604904795 /nfs/dbraw/zinc/90/47/95/604904795.db2.gz TWQYQSKOTFCMAP-MRVPVSSYSA-N -1 0 316.335 -0.356 20 0 DBADRM CC(C)N(CC(=O)[O-])Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000820019787 604907950 /nfs/dbraw/zinc/90/79/50/604907950.db2.gz BRPBNFNNVDZLLF-UHFFFAOYSA-N -1 0 309.326 -0.745 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[C@@H]1NC(=O)[O-] ZINC000825969714 604911676 /nfs/dbraw/zinc/91/16/76/604911676.db2.gz RKWZSKPLBVOBCC-SCZZXKLOSA-N -1 0 309.326 -0.137 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCCN1C(=O)CCC1=O ZINC000831382847 604914983 /nfs/dbraw/zinc/91/49/83/604914983.db2.gz RHTDABLTJWFRKU-SECBINFHSA-N -1 0 313.310 -0.980 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000819920996 604919715 /nfs/dbraw/zinc/91/97/15/604919715.db2.gz BBMXLMJXNPYORZ-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000824809106 604926827 /nfs/dbraw/zinc/92/68/27/604926827.db2.gz DDSNWLJGHDPCCX-IWSPIJDZSA-N -1 0 308.356 -0.961 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NC[C@]2(CCO)CCOC2)C1 ZINC000831896303 604934290 /nfs/dbraw/zinc/93/42/90/604934290.db2.gz UDITZXPSYQMMPT-QWHCGFSZSA-N -1 0 304.318 -0.016 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@H]2c3ccccc3C[C@@H]2O)nn1 ZINC000833121411 604940041 /nfs/dbraw/zinc/94/00/41/604940041.db2.gz GRFAFXJMSYFPOO-AAEUAGOBSA-N -1 0 302.290 -0.249 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000833739670 604941011 /nfs/dbraw/zinc/94/10/11/604941011.db2.gz NLPIHHZVPAMETQ-ZETCQYMHSA-N -1 0 301.324 -0.394 20 0 DBADRM O=C(CNS(=O)(=O)c1cccs1)NC1CN(C(=O)[O-])C1 ZINC000740377151 604951403 /nfs/dbraw/zinc/95/14/03/604951403.db2.gz UWNHQORKFNADGE-UHFFFAOYSA-N -1 0 319.364 -0.495 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000738994832 604951510 /nfs/dbraw/zinc/95/15/10/604951510.db2.gz MWQXKDXXDVSTRC-LURJTMIESA-N -1 0 319.314 -0.255 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000739747287 604953041 /nfs/dbraw/zinc/95/30/41/604953041.db2.gz HBRRKDPPDYJNMU-IHWYPQMZSA-N -1 0 304.306 -0.067 20 0 DBADRM CCCN(CC(=O)[O-])CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O ZINC000829472918 604965648 /nfs/dbraw/zinc/96/56/48/604965648.db2.gz FATMRVYKYNZMRQ-UHFFFAOYSA-N -1 0 312.326 -0.470 20 0 DBADRM CCn1c(N)c(C(=O)CN2CCC[C@@H]2CC(=O)[O-])c(=O)[nH]c1=O ZINC000833683092 604968510 /nfs/dbraw/zinc/96/85/10/604968510.db2.gz DVMMHZHOUKGNCA-MRVPVSSYSA-N -1 0 324.337 -0.327 20 0 DBADRM C[C@H](C(N)=O)N(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000833406924 604972299 /nfs/dbraw/zinc/97/22/99/604972299.db2.gz FRTNVBIBQBXXHO-ZWNOBZJWSA-N -1 0 319.361 -0.170 20 0 DBADRM O=C([O-])c1ccc(N2CCN(C(=O)c3c[nH]cn3)CC2)nn1 ZINC000833782974 604990307 /nfs/dbraw/zinc/99/03/07/604990307.db2.gz SKXABXRKNDUZDK-UHFFFAOYSA-N -1 0 302.294 -0.140 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN([C@@H]2CCOC2)CC1)C(=O)[O-] ZINC000833520966 605010215 /nfs/dbraw/zinc/01/02/15/605010215.db2.gz WXAXYFSQZXOAJX-GHMZBOCLSA-N -1 0 306.384 -0.557 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN([C@H]2CCOC2)CC1)C(=O)[O-] ZINC000833520967 605010377 /nfs/dbraw/zinc/01/03/77/605010377.db2.gz WXAXYFSQZXOAJX-MNOVXSKESA-N -1 0 306.384 -0.557 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)c1cncc(C(=O)[O-])c1 ZINC000833665292 605016654 /nfs/dbraw/zinc/01/66/54/605016654.db2.gz FWMRBHVWDDQGRV-UHFFFAOYSA-N -1 0 302.308 -0.124 20 0 DBADRM C/C(=C/COC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC000833383469 605017497 /nfs/dbraw/zinc/01/74/97/605017497.db2.gz MRBHNDMXKWBPKZ-DAXSKMNVSA-N -1 0 300.292 -0.083 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@@H](NC(N)=O)C1)C(=O)[O-] ZINC000833640162 605019082 /nfs/dbraw/zinc/01/90/82/605019082.db2.gz UYUPIVNVABEZJI-IQJOONFLSA-N -1 0 300.359 -0.656 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CC[C@@H](NC(N)=O)C1)C(=O)[O-] ZINC000833640163 605019243 /nfs/dbraw/zinc/01/92/43/605019243.db2.gz UYUPIVNVABEZJI-NGZCFLSTSA-N -1 0 300.359 -0.656 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@H](NC(N)=O)C1)C(=O)[O-] ZINC000833640161 605019353 /nfs/dbraw/zinc/01/93/53/605019353.db2.gz UYUPIVNVABEZJI-ATZCPNFKSA-N -1 0 300.359 -0.656 20 0 DBADRM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC000833422283 605023930 /nfs/dbraw/zinc/02/39/30/605023930.db2.gz FMOOIWDQQZKHKR-BDAKNGLRSA-N -1 0 318.395 -0.114 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC000833435895 605025266 /nfs/dbraw/zinc/02/52/66/605025266.db2.gz YYHUQDZHNMICPK-BDAKNGLRSA-N -1 0 302.327 -0.195 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833654060 605027405 /nfs/dbraw/zinc/02/74/05/605027405.db2.gz YNEZCRHTBANHLO-UHFFFAOYSA-N -1 0 324.337 -0.354 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN2C(=O)OCC[C@H]2C1)C(=O)[O-] ZINC000833519928 605028067 /nfs/dbraw/zinc/02/80/67/605028067.db2.gz QSOFDMKEYNNAQN-BDAKNGLRSA-N -1 0 306.340 -0.437 20 0 DBADRM CC(C)OC(=O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833502993 605030027 /nfs/dbraw/zinc/03/00/27/605030027.db2.gz ULZTXJMTZGMVFT-UHFFFAOYSA-N -1 0 311.294 -0.270 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)c[nH]1 ZINC000236560869 605030952 /nfs/dbraw/zinc/03/09/52/605030952.db2.gz QVETWYSRVBFJQT-ZCFIWIBFSA-N -1 0 302.230 -0.086 20 0 DBADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000833547361 605043242 /nfs/dbraw/zinc/04/32/42/605043242.db2.gz SBEZOYNRFJMBFN-DTWKUNHWSA-N -1 0 307.306 -0.319 20 0 DBADRM CC(=O)N1CCOC[C@H]1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000833391402 605045036 /nfs/dbraw/zinc/04/50/36/605045036.db2.gz KFVNMFWZWZVYEX-NEPJUHHUSA-N -1 0 310.350 -0.053 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cn1 ZINC000833761844 605051488 /nfs/dbraw/zinc/05/14/88/605051488.db2.gz BEYPBVRZXRYOHW-LLVKDONJSA-N -1 0 317.298 -0.632 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC2(CO)CCOCC2)c[nH]1 ZINC000833779792 605052572 /nfs/dbraw/zinc/05/25/72/605052572.db2.gz ITXVRGDXACHBBG-UHFFFAOYSA-N -1 0 318.351 -0.220 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)cn1 ZINC000833762019 605053634 /nfs/dbraw/zinc/05/36/34/605053634.db2.gz JWASWDYAFSNLGK-VIFPVBQESA-N -1 0 313.335 -0.288 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@]2(CCO)CCOC2)c[nH]1 ZINC000833780624 605060369 /nfs/dbraw/zinc/06/03/69/605060369.db2.gz YKJRXWKOIKZNMV-LBPRGKRZSA-N -1 0 318.351 -0.220 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C(C)(C)C1 ZINC000833391819 605060757 /nfs/dbraw/zinc/06/07/57/605060757.db2.gz VYVMEZLXAUNQDW-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000831647757 605074328 /nfs/dbraw/zinc/07/43/28/605074328.db2.gz QABIPFPBBXIDHE-JGVFFNPUSA-N -1 0 308.381 -0.267 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000831645902 605075371 /nfs/dbraw/zinc/07/53/71/605075371.db2.gz FZJZZTRWZIFQPW-IUCAKERBSA-N -1 0 306.340 -0.941 20 0 DBADRM NC(=O)COCCNS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833761462 605075408 /nfs/dbraw/zinc/07/54/08/605075408.db2.gz CRKOBQCOLLFFFI-UHFFFAOYSA-N -1 0 320.298 -0.696 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCN(C(C)=O)CC1 ZINC000827538109 605075610 /nfs/dbraw/zinc/07/56/10/605075610.db2.gz AOGBPBUGKCWLFJ-JTQLQIEISA-N -1 0 315.326 -0.734 20 0 DBADRM C[C@H](C(=O)NC[C@H](O)C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000833403607 605086291 /nfs/dbraw/zinc/08/62/91/605086291.db2.gz BDCBYYCDNZVXLI-KYXWUPHJSA-N -1 0 312.322 -0.888 20 0 DBADRM CC(=O)N1CC[C@@H](COC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823549691 605087617 /nfs/dbraw/zinc/08/76/17/605087617.db2.gz IWSMFEMPSBDYEO-GHMZBOCLSA-N -1 0 300.311 -0.223 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCCNC(=O)[O-])c(=O)n(C)c1 ZINC000830090919 605090654 /nfs/dbraw/zinc/09/06/54/605090654.db2.gz WHPAMMDCLPSMKH-UHFFFAOYSA-N -1 0 310.310 -0.594 20 0 DBADRM CCS(=O)(=O)c1cccc(C(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000833665553 605090703 /nfs/dbraw/zinc/09/07/03/605090703.db2.gz GZDPBZFJTKEGBS-JTQLQIEISA-N -1 0 301.320 -0.345 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1 ZINC000830089268 605092225 /nfs/dbraw/zinc/09/22/25/605092225.db2.gz GBNRSXZUQSWVNJ-VIFPVBQESA-N -1 0 322.321 -0.499 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)[C@@H](C)CNC(=O)[O-])c(=O)n(C)c1 ZINC000830086000 605092387 /nfs/dbraw/zinc/09/23/87/605092387.db2.gz WOOKCDITXDIGGZ-VIFPVBQESA-N -1 0 324.337 -0.253 20 0 DBADRM CC(C)CNC(=O)N1CCC[C@@H](C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC000833487234 605092405 /nfs/dbraw/zinc/09/24/05/605092405.db2.gz HHJUMTCWUIEBCK-MNOVXSKESA-N -1 0 315.370 -0.374 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833665403 605109447 /nfs/dbraw/zinc/10/94/47/605109447.db2.gz RTAVLURSUNWABX-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCCS(=O)(=O)CC1CC1 ZINC000831699705 605121769 /nfs/dbraw/zinc/12/17/69/605121769.db2.gz NTWWBDDTCLSAGR-SECBINFHSA-N -1 0 322.408 -0.020 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)C1 ZINC000740586136 605124421 /nfs/dbraw/zinc/12/44/21/605124421.db2.gz NAFDKPPMQZUYCH-ZETCQYMHSA-N -1 0 321.297 -0.344 20 0 DBADRM CN(CC(=O)N1CC[C@H](NC(=O)[O-])C1)c1ncnc2nc[nH]c21 ZINC000739616498 605130897 /nfs/dbraw/zinc/13/08/97/605130897.db2.gz FGYREYDYMSXWIZ-QMMMGPOBSA-N -1 0 319.325 -0.342 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739993243 605134554 /nfs/dbraw/zinc/13/45/54/605134554.db2.gz XQMYJJSJYOPKHH-VHSXEESVSA-N -1 0 319.383 -0.331 20 0 DBADRM Cc1cc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c(=O)n(C)c1 ZINC000830104651 605137483 /nfs/dbraw/zinc/13/74/83/605137483.db2.gz ZWRNLUZTDWFACD-UHFFFAOYSA-N -1 0 322.321 -0.546 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000740590569 605139727 /nfs/dbraw/zinc/13/97/27/605139727.db2.gz XICDQOWOFFPNOT-IUCAKERBSA-N -1 0 322.408 -0.225 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN2C(=O)CC[C@H]2C1)C(=O)[O-] ZINC000833638842 605147973 /nfs/dbraw/zinc/14/79/73/605147973.db2.gz KOMPLHZZVMEUNV-COPLHBTASA-N -1 0 311.382 -0.092 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCCC(=O)[O-] ZINC000833438868 605151515 /nfs/dbraw/zinc/15/15/15/605151515.db2.gz MPFGSJZBWSPKNY-UHFFFAOYSA-N -1 0 303.315 -0.782 20 0 DBADRM NC(=O)c1ccc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1 ZINC000833762770 605162969 /nfs/dbraw/zinc/16/29/69/605162969.db2.gz VSXJRXXPHJRRFQ-VIFPVBQESA-N -1 0 308.294 -0.112 20 0 DBADRM O=C([O-])NCc1nnnn1CC(=O)NCCc1ccc(F)cc1 ZINC000832739064 605178720 /nfs/dbraw/zinc/17/87/20/605178720.db2.gz RGWVRXXPENCZSI-UHFFFAOYSA-N -1 0 322.300 -0.061 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000832375086 605187306 /nfs/dbraw/zinc/18/73/06/605187306.db2.gz CPEOBGZGKWPWBD-IUCAKERBSA-N -1 0 305.356 -0.385 20 0 DBADRM C[C@H](NC(=O)N[C@@H]1CCN(C(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC000825162007 605188186 /nfs/dbraw/zinc/18/81/86/605188186.db2.gz PIGVDAZWMJLFKW-HBNTYKKESA-N -1 0 300.359 -0.243 20 0 DBADRM C[C@H](NC(=O)N1CCN(C(=O)[O-])CC1)[C@H]1CN(C)CCO1 ZINC000825149989 605195645 /nfs/dbraw/zinc/19/56/45/605195645.db2.gz PABOTMLZQLBUHM-WDEREUQCSA-N -1 0 300.359 -0.289 20 0 DBADRM C[C@H](NC(=O)N1CCN(C(=O)[O-])CC1)[C@@H]1CN(C)CCO1 ZINC000825149988 605196018 /nfs/dbraw/zinc/19/60/18/605196018.db2.gz PABOTMLZQLBUHM-QWRGUYRKSA-N -1 0 300.359 -0.289 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)[C@H]1CN(C)CCO1 ZINC000825094930 605201261 /nfs/dbraw/zinc/20/12/61/605201261.db2.gz VASNBNCNAZFWFV-AXFHLTTASA-N -1 0 301.343 -0.800 20 0 DBADRM CS(=O)(=O)CCCCOC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829668973 605203529 /nfs/dbraw/zinc/20/35/29/605203529.db2.gz JFSUZMVGHPYSEK-VIFPVBQESA-N -1 0 309.340 -0.267 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)Nc1ncccn1 ZINC000825572558 605203720 /nfs/dbraw/zinc/20/37/20/605203720.db2.gz VTPFRSBHUWUAKG-BDAKNGLRSA-N -1 0 324.293 -0.274 20 0 DBADRM C[C@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)Nc1ncccn1 ZINC000825572559 605203838 /nfs/dbraw/zinc/20/38/38/605203838.db2.gz VTPFRSBHUWUAKG-DTWKUNHWSA-N -1 0 324.293 -0.274 20 0 DBADRM CCCNC(=O)NC(=O)COC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826925155 605205460 /nfs/dbraw/zinc/20/54/60/605205460.db2.gz CBIORGWKCJMWOO-QMMMGPOBSA-N -1 0 317.298 -0.856 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827250198 605205470 /nfs/dbraw/zinc/20/54/70/605205470.db2.gz RLXNAFVCXNADGF-YUMQZZPRSA-N -1 0 317.298 -0.857 20 0 DBADRM O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)NC[C@H]1CCCO1 ZINC000831499118 605206520 /nfs/dbraw/zinc/20/65/20/605206520.db2.gz PWFLYYWLVHUPIY-NXEZZACHSA-N -1 0 316.310 -0.796 20 0 DBADRM CC(C)(CCC(=O)NC1(C(N)=O)CCOCC1)NC(=O)[O-] ZINC000823890187 605219933 /nfs/dbraw/zinc/21/99/33/605219933.db2.gz MUNMYMLXJSKVPG-UHFFFAOYSA-N -1 0 301.343 -0.037 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)OCc1nnnn1C1CC1 ZINC000831400460 605226664 /nfs/dbraw/zinc/22/66/64/605226664.db2.gz CLDJENSQLYXWJN-SECBINFHSA-N -1 0 311.298 -0.180 20 0 DBADRM COC(=O)N1CC(NC(=O)NC[C@@H]2CCCN2C(=O)[O-])C1 ZINC000828705725 605229851 /nfs/dbraw/zinc/22/98/51/605229851.db2.gz ZPRZEIZELXLQBX-VIFPVBQESA-N -1 0 300.315 -0.121 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CCN(C(=O)[O-])C[C@H]2C)C1 ZINC000828705096 605232029 /nfs/dbraw/zinc/23/20/29/605232029.db2.gz QUAXBXHLLDESCC-MRVPVSSYSA-N -1 0 300.315 -0.169 20 0 DBADRM NC(=O)C1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000831177814 605241426 /nfs/dbraw/zinc/24/14/26/605241426.db2.gz AWHUKPNDPMYSOD-NSHDSACASA-N -1 0 313.354 -0.131 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000827236864 605242239 /nfs/dbraw/zinc/24/22/39/605242239.db2.gz KXWCYRAVAYDZBY-ZJUUUORDSA-N -1 0 301.343 -0.214 20 0 DBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NCc1nnc2n1CCC2 ZINC000831517657 605249206 /nfs/dbraw/zinc/24/92/06/605249206.db2.gz UDEBXSJIWZVZLA-SNVBAGLBSA-N -1 0 323.353 -0.001 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000823759193 605251054 /nfs/dbraw/zinc/25/10/54/605251054.db2.gz GLMALIJEXSMNRH-IUCAKERBSA-N -1 0 321.399 -0.181 20 0 DBADRM CS(=O)(=O)NCCNC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000829686626 605255350 /nfs/dbraw/zinc/25/53/50/605255350.db2.gz DTXDYNWCWKSXES-UHFFFAOYSA-N -1 0 315.351 -0.164 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCC2(CCO)CCC2)C(=O)C1 ZINC000831485677 605263083 /nfs/dbraw/zinc/26/30/83/605263083.db2.gz ULHQCGXDXWFBST-UHFFFAOYSA-N -1 0 313.354 -0.523 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825055199 605267156 /nfs/dbraw/zinc/26/71/56/605267156.db2.gz JJKWWWLNTPBYAB-WDEREUQCSA-N -1 0 311.342 -0.058 20 0 DBADRM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC000833422606 605268839 /nfs/dbraw/zinc/26/88/39/605268839.db2.gz JXFCGFGESNMRTI-IUCAKERBSA-N -1 0 318.395 -0.114 20 0 DBADRM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC000833440259 605269104 /nfs/dbraw/zinc/26/91/04/605269104.db2.gz WHYHMBGSUYLNQW-BDAKNGLRSA-N -1 0 302.327 -0.052 20 0 DBADRM CCC[C@@](C)(O)C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000826729038 605271328 /nfs/dbraw/zinc/27/13/28/605271328.db2.gz QQYGPUAVPPEALX-CQSZACIVSA-N -1 0 315.370 -0.182 20 0 DBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)NC[C@H]1COCCO1 ZINC000831512779 605271671 /nfs/dbraw/zinc/27/16/71/605271671.db2.gz IEMKXALFLWTAHR-QWRGUYRKSA-N -1 0 302.327 -0.323 20 0 DBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1=O ZINC000833761058 605276593 /nfs/dbraw/zinc/27/65/93/605276593.db2.gz XGJJRYLENZVSAX-DCAQKATOSA-N -1 0 320.349 -0.252 20 0 DBADRM CC(=O)N(CCC(=O)N[C@@H](CO)C(=O)[O-])Cc1ccccc1 ZINC000833389779 605281365 /nfs/dbraw/zinc/28/13/65/605281365.db2.gz WADMJEFSGJLFBR-ZDUSSCGKSA-N -1 0 308.334 -0.013 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000833767701 605281374 /nfs/dbraw/zinc/28/13/74/605281374.db2.gz NGUBLZSFEXLZEE-QMMMGPOBSA-N -1 0 323.273 -0.142 20 0 DBADRM CN(CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC000828316916 605286899 /nfs/dbraw/zinc/28/68/99/605286899.db2.gz YDXYOLXHOSKUAJ-MRVPVSSYSA-N -1 0 309.388 -0.324 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC1CN(C(=O)[O-])C1 ZINC000823761245 605287347 /nfs/dbraw/zinc/28/73/47/605287347.db2.gz YSXOPKLBBQZWBP-MRVPVSSYSA-N -1 0 307.372 -0.571 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC000833615281 605295573 /nfs/dbraw/zinc/29/55/73/605295573.db2.gz AEFYRYIMCIVYLG-ONGXEEELSA-N -1 0 306.384 -0.270 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833485340 605295582 /nfs/dbraw/zinc/29/55/82/605295582.db2.gz PZSFLRVKKCIZOI-LLVKDONJSA-N -1 0 308.400 -0.024 20 0 DBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)N[C@@H]1CCc2ncnn2C1 ZINC000831514125 605308340 /nfs/dbraw/zinc/30/83/40/605308340.db2.gz VPCDBOKXJZJPTO-GHMZBOCLSA-N -1 0 323.353 -0.132 20 0 DBADRM O=C([O-])NCCC(=O)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000834228776 605310151 /nfs/dbraw/zinc/31/01/51/605310151.db2.gz OXXDYEMCXMPZHW-JTQLQIEISA-N -1 0 300.311 -0.175 20 0 DBADRM CNC(=O)COc1cccc(CC(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000828543596 605310415 /nfs/dbraw/zinc/31/04/15/605310415.db2.gz WJEYJHVWADPBQX-UHFFFAOYSA-N -1 0 321.333 -0.168 20 0 DBADRM CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000833865992 605311101 /nfs/dbraw/zinc/31/11/01/605311101.db2.gz HASFXORGDYJGEP-LPEHRKFASA-N -1 0 323.353 -0.095 20 0 DBADRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCCS(N)(=O)=O ZINC000833826275 605311266 /nfs/dbraw/zinc/31/12/66/605311266.db2.gz RFSKUCFOIBCQIS-KWQFWETISA-N -1 0 307.372 -0.392 20 0 DBADRM Cn1cncc1[C@H]1CC(=O)N(CN2CCN(C(=O)[O-])CC2)C1 ZINC000833959060 605318763 /nfs/dbraw/zinc/31/87/63/605318763.db2.gz NNMQAMKJSNOLCH-NSHDSACASA-N -1 0 307.354 -0.011 20 0 DBADRM C[C@H](OC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)C(=O)NC(N)=O ZINC000825592912 605329640 /nfs/dbraw/zinc/32/96/40/605329640.db2.gz TZJCFQCGJJQRNY-JGVFFNPUSA-N -1 0 317.298 -0.728 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cnc2c(c1)COCC2 ZINC000833984481 605334347 /nfs/dbraw/zinc/33/43/47/605334347.db2.gz QOIOKUDUIQFTCW-JTQLQIEISA-N -1 0 308.294 -0.396 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1cn2ccccc2n1 ZINC000834199354 605339375 /nfs/dbraw/zinc/33/93/75/605339375.db2.gz ZIECSKDWWZNUIE-UHFFFAOYSA-N -1 0 305.294 -0.666 20 0 DBADRM Cc1nccn1C[C@@H](C)CNC(=O)CNC(=O)CNC(=O)[O-] ZINC000833916731 605343790 /nfs/dbraw/zinc/34/37/90/605343790.db2.gz AIEHPNVDJWPJAZ-VIFPVBQESA-N -1 0 311.342 -0.672 20 0 DBADRM O=C([O-])N1CCN(C(=O)CN2C(=O)[C@H]3CCCN3C2=O)CC1 ZINC000834117327 605344282 /nfs/dbraw/zinc/34/42/82/605344282.db2.gz XELQUCCWYUOAKI-SECBINFHSA-N -1 0 310.310 -0.765 20 0 DBADRM CS(=O)(=O)CCCN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O ZINC000829672407 605347235 /nfs/dbraw/zinc/34/72/35/605347235.db2.gz AVXJCEHAVFVKGA-NSHDSACASA-N -1 0 319.339 -0.905 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H]1Cn1cccn1 ZINC000834194043 605348584 /nfs/dbraw/zinc/34/85/84/605348584.db2.gz JRGDJKXZOXNFMR-JTQLQIEISA-N -1 0 309.326 -0.742 20 0 DBADRM CC(C)CNC(=O)CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O ZINC000824264506 605350410 /nfs/dbraw/zinc/35/04/10/605350410.db2.gz YSLAOPKDZNGZMD-CYBMUJFWSA-N -1 0 312.326 -0.567 20 0 DBADRM CN(C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)[C@H]1CCN(C)C1=O ZINC000828465848 605352782 /nfs/dbraw/zinc/35/27/82/605352782.db2.gz IRRCFKNWNCPSIM-MNOVXSKESA-N -1 0 313.354 -0.166 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)c1ncnc2n[nH]cc21 ZINC000828095194 605353794 /nfs/dbraw/zinc/35/37/94/605353794.db2.gz BFMBMKWOSHOJEO-UHFFFAOYSA-N -1 0 319.325 -0.389 20 0 DBADRM Cn1nnnc1CS(=O)(=O)CC1CCN(C(=O)[O-])CC1 ZINC000833959571 605359733 /nfs/dbraw/zinc/35/97/33/605359733.db2.gz BDSKOGZKIGGXND-UHFFFAOYSA-N -1 0 303.344 -0.485 20 0 DBADRM C[C@H](CCNC(=O)c1coc(S(N)(=O)=O)c1)NC(=O)[O-] ZINC000833804707 605368718 /nfs/dbraw/zinc/36/87/18/605368718.db2.gz ICSKJGMOZDQSOY-ZCFIWIBFSA-N -1 0 305.312 -0.297 20 0 DBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)NCc1nnnn1C1CC1 ZINC000831516691 605369459 /nfs/dbraw/zinc/36/94/59/605369459.db2.gz ILJMERMJTAFUQN-JTQLQIEISA-N -1 0 324.341 -0.217 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)NCCN(C(=O)[O-])C2CC2)cn1 ZINC000833946950 605370999 /nfs/dbraw/zinc/37/09/99/605370999.db2.gz OZQUQXLTKGFNFD-LLVKDONJSA-N -1 0 311.342 -0.105 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000834193452 605380813 /nfs/dbraw/zinc/38/08/13/605380813.db2.gz GGQNSISUTAEANE-JTQLQIEISA-N -1 0 309.326 -0.570 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccn(CC(F)F)n1 ZINC000834198666 605386200 /nfs/dbraw/zinc/38/62/00/605386200.db2.gz NJADNHGNNKOLSC-UHFFFAOYSA-N -1 0 305.241 -0.530 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN[C@@]1(C(=O)[O-])CCOC1 ZINC000833433203 605386741 /nfs/dbraw/zinc/38/67/41/605386741.db2.gz GBZDAGGCZROFEN-ZDUSSCGKSA-N -1 0 302.327 -0.722 20 0 DBADRM C[C@@H](NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)C(=O)N(C)C ZINC000825121268 605388135 /nfs/dbraw/zinc/38/81/35/605388135.db2.gz KOXLHKMYCOVTQA-NXEZZACHSA-N -1 0 301.343 -0.262 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@H](O)C1CCCCC1 ZINC000834196581 605388141 /nfs/dbraw/zinc/38/81/41/605388141.db2.gz LHKZKMRZZPQCCB-JTQLQIEISA-N -1 0 301.343 -0.572 20 0 DBADRM Cc1noc(CCNS(=O)(=O)C2CCN(C(=O)[O-])CC2)n1 ZINC000738388127 605389325 /nfs/dbraw/zinc/38/93/25/605389325.db2.gz QMKPKMPVDKFECD-UHFFFAOYSA-N -1 0 318.355 -0.018 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000831284243 605394085 /nfs/dbraw/zinc/39/40/85/605394085.db2.gz UIKFTVBWZFGZMT-NWDGAFQWSA-N -1 0 313.354 -0.702 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000833985294 605395381 /nfs/dbraw/zinc/39/53/81/605395381.db2.gz XPYJNEHQLGQBGG-VIFPVBQESA-N -1 0 319.281 -0.888 20 0 DBADRM O=C([O-])NC1(C(=O)NCCn2ncnn2)Cc2ccccc2C1 ZINC000832172697 605400014 /nfs/dbraw/zinc/40/00/14/605400014.db2.gz OLKJVAOSPCNCBY-UHFFFAOYSA-N -1 0 316.321 -0.406 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCN1CCc2ccccc21 ZINC000834196628 605400252 /nfs/dbraw/zinc/40/02/52/605400252.db2.gz ONBMNGCCNCTCAF-UHFFFAOYSA-N -1 0 320.349 -0.451 20 0 DBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NC[C@H]1CCCO1 ZINC000833894306 605401129 /nfs/dbraw/zinc/40/11/29/605401129.db2.gz JZCGNAQNIZGBDP-RKDXNWHRSA-N -1 0 308.356 -0.648 20 0 DBADRM O=C([O-])NCCC(=O)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000832596181 605402388 /nfs/dbraw/zinc/40/23/88/605402388.db2.gz SLKFUNSOQDBGKO-GFCCVEGCSA-N -1 0 315.370 -0.406 20 0 DBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NCCN1CCCC1 ZINC000833896059 605405190 /nfs/dbraw/zinc/40/51/90/605405190.db2.gz ZAIKHMTYCMWTME-SNVBAGLBSA-N -1 0 321.399 -0.731 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN(Cn2nc3cnccn3c2=O)C1 ZINC000834217167 605406524 /nfs/dbraw/zinc/40/65/24/605406524.db2.gz WYXJWJDLZUXCED-JTQLQIEISA-N -1 0 306.326 -0.172 20 0 DBADRM O=C([O-])N(CC(=O)NC[C@H](O)CN1CCOCC1)CC1CC1 ZINC000834005115 605407318 /nfs/dbraw/zinc/40/73/18/605407318.db2.gz AKMGWDMWRAEUKG-LBPRGKRZSA-N -1 0 315.370 -0.814 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NC[C@H](O)CN2CCOCC2)C1 ZINC000834170545 605408327 /nfs/dbraw/zinc/40/83/27/605408327.db2.gz PSCQIFKLHOVMBJ-TUAOUCFPSA-N -1 0 315.370 -0.768 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000834173200 605408390 /nfs/dbraw/zinc/40/83/90/605408390.db2.gz PQADNVRUSARQSH-QJPTWQEYSA-N -1 0 315.370 -0.768 20 0 DBADRM Cn1cc(C(=O)NC[C@@]2(C)CCCN(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000833943350 605417579 /nfs/dbraw/zinc/41/75/79/605417579.db2.gz JABHWCDFNQHAMK-CQSZACIVSA-N -1 0 324.337 -0.004 20 0 DBADRM Cc1cc(C(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)ncn1 ZINC000833899881 605421015 /nfs/dbraw/zinc/42/10/15/605421015.db2.gz YZLUPVKHBMRXSS-UHFFFAOYSA-N -1 0 321.337 -0.321 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCCC(=O)NC ZINC000833682814 605426198 /nfs/dbraw/zinc/42/61/98/605426198.db2.gz MBMXQJQZGCKJRP-UHFFFAOYSA-N -1 0 304.324 -0.045 20 0 DBADRM CC(C)N(CCC(=O)NC1(C(N)=O)CCOCC1)C(=O)[O-] ZINC000824336249 605429645 /nfs/dbraw/zinc/42/96/45/605429645.db2.gz NUENTCGFQCJCHI-UHFFFAOYSA-N -1 0 301.343 -0.084 20 0 DBADRM CC(C)[C@@H](C(=O)NCCN(C)C(=O)[O-])N1CCCS1(=O)=O ZINC000824058356 605430667 /nfs/dbraw/zinc/43/06/67/605430667.db2.gz ZHIFRBBVHWBHJT-JTQLQIEISA-N -1 0 321.399 -0.228 20 0 DBADRM NS(=O)(=O)CCCOC(=O)CC[C@H]1CCN(C(=O)[O-])C1 ZINC000833986326 605431142 /nfs/dbraw/zinc/43/11/42/605431142.db2.gz OIKROOYMBFDXNF-VIFPVBQESA-N -1 0 308.356 -0.012 20 0 DBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NCC1(O)CCCC1 ZINC000833895242 605431420 /nfs/dbraw/zinc/43/14/20/605431420.db2.gz RRYSPZFWTIWMED-SECBINFHSA-N -1 0 322.383 -0.521 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)OC[C@@H]1CCS(=O)(=O)C1 ZINC000833986396 605434548 /nfs/dbraw/zinc/43/45/48/605434548.db2.gz AGUILIKMVQTCPO-VHSXEESVSA-N -1 0 321.351 -0.267 20 0 DBADRM O=C(CCOC1CN(C(=O)[O-])C1)OC[C@H]1CCS(=O)(=O)C1 ZINC000833994631 605434882 /nfs/dbraw/zinc/43/48/82/605434882.db2.gz XBIRPHLILVCBPB-SECBINFHSA-N -1 0 321.351 -0.267 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)[C@H](CC(F)F)NC(=O)[O-])cn1 ZINC000833944605 605436643 /nfs/dbraw/zinc/43/66/43/605436643.db2.gz CGFGZWQYLFJUBO-YUMQZZPRSA-N -1 0 306.269 -0.139 20 0 DBADRM COCCN(CC(=O)N1CCC[C@@H](OCCO)C1)C(=O)[O-] ZINC000828971325 605439912 /nfs/dbraw/zinc/43/99/12/605439912.db2.gz VNNJGRJQTJLIQA-LLVKDONJSA-N -1 0 304.343 -0.387 20 0 DBADRM COCCN(CC(=O)N1CCCC2(C1)OCCO2)C(=O)[O-] ZINC000828971141 605441326 /nfs/dbraw/zinc/44/13/26/605441326.db2.gz PPYUWLJKXMBONL-UHFFFAOYSA-N -1 0 302.327 -0.022 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCOC3(CCOCC3)C2)C1 ZINC000832060757 605444480 /nfs/dbraw/zinc/44/44/80/605444480.db2.gz QXDGYNSSPJYIJK-LLVKDONJSA-N -1 0 314.338 -0.227 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827388023 605444996 /nfs/dbraw/zinc/44/49/96/605444996.db2.gz KZQKUSQOGSBZCJ-UWVGGRQHSA-N -1 0 318.326 -0.598 20 0 DBADRM O=C([O-])N1CCSC[C@H]1CC(=O)N1CCO[C@H](CO)C1 ZINC000831402644 605447101 /nfs/dbraw/zinc/44/71/01/605447101.db2.gz NMSQCYLFHYWDSP-ZJUUUORDSA-N -1 0 304.368 -0.308 20 0 DBADRM C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])C(=O)OC(C)(C)C ZINC000825082111 605447848 /nfs/dbraw/zinc/44/78/48/605447848.db2.gz JNSUAXQMXQAICB-XHNCKOQMSA-N -1 0 302.327 -0.054 20 0 DBADRM C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)OC(C)(C)C ZINC000825082112 605448072 /nfs/dbraw/zinc/44/80/72/605448072.db2.gz JNSUAXQMXQAICB-YIZRAAEISA-N -1 0 302.327 -0.054 20 0 DBADRM O=C([O-])N[C@H](C(=O)N[C@@H]1CCC(=O)NC1=O)c1ccccc1 ZINC000832790422 605448455 /nfs/dbraw/zinc/44/84/55/605448455.db2.gz WGDYKHNKJRZWHJ-KOLCDFICSA-N -1 0 305.290 -0.083 20 0 DBADRM O=C([O-])NC[C@H](C(=O)N[C@H]1CCC(=O)NC1=O)c1ccccc1 ZINC000832404070 605448522 /nfs/dbraw/zinc/44/85/22/605448522.db2.gz XQVFHAZHUQZZBC-QWRGUYRKSA-N -1 0 319.317 -0.041 20 0 DBADRM CC(C)(CNC(=O)CCC[C@]1(C)NC(=O)NC1=O)NC(=O)[O-] ZINC000823906621 605449549 /nfs/dbraw/zinc/44/95/49/605449549.db2.gz JBALRPJNHHBUIM-ZDUSSCGKSA-N -1 0 314.342 -0.083 20 0 DBADRM O=C([O-])N1CCCN(c2ccc(C(=O)NCCO)nn2)CC1 ZINC000831692762 605455032 /nfs/dbraw/zinc/45/50/32/605455032.db2.gz AUMXPCURLYXVTL-UHFFFAOYSA-N -1 0 309.326 -0.611 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)CN1CCOCC1)C(=O)[O-] ZINC000833483238 605456328 /nfs/dbraw/zinc/45/63/28/605456328.db2.gz WOLOXKGQFRRWIH-LLVKDONJSA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CC[C@H](NC(=O)[O-])C[C@H]2C)nn1 ZINC000825528265 605458838 /nfs/dbraw/zinc/45/88/38/605458838.db2.gz LKPUVOQEKJPGKC-UTLUCORTSA-N -1 0 311.342 -0.022 20 0 DBADRM CN(C[C@H]1CCCN1c1ccc(C(=O)NCCO)nn1)C(=O)[O-] ZINC000828235065 605460374 /nfs/dbraw/zinc/46/03/74/605460374.db2.gz CMFNIKALLFQLIJ-SNVBAGLBSA-N -1 0 323.353 -0.223 20 0 DBADRM C[C@@H]1CN(c2ccc(C(=O)NCCO)nn2)CC[C@H]1NC(=O)[O-] ZINC000826082469 605460384 /nfs/dbraw/zinc/46/03/84/605460384.db2.gz PUBULBGIOQFTEY-NXEZZACHSA-N -1 0 323.353 -0.319 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000831260284 605461455 /nfs/dbraw/zinc/46/14/55/605461455.db2.gz MFWDVNNPPDKTTO-SSDOTTSWSA-N -1 0 323.309 -0.173 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)CC[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000833985947 605467205 /nfs/dbraw/zinc/46/72/05/605467205.db2.gz BYXAATDGUILGSX-UWVGGRQHSA-N -1 0 319.383 -0.344 20 0 DBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)NC[C@H](O)C(=O)[O-] ZINC000833544323 605470081 /nfs/dbraw/zinc/47/00/81/605470081.db2.gz FLKSXZRJFYVJQN-FSPLSTOPSA-N -1 0 301.328 -0.950 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000833983841 605472334 /nfs/dbraw/zinc/47/23/34/605472334.db2.gz KRGIUKVCOFSZDA-LURJTMIESA-N -1 0 323.231 -0.105 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000833434023 605507683 /nfs/dbraw/zinc/50/76/83/605507683.db2.gz NRETZAPGFKAUOP-SFYZADRCSA-N -1 0 301.295 -0.292 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NCCS(C)(=O)=O)C1 ZINC000833815966 605508201 /nfs/dbraw/zinc/50/82/01/605508201.db2.gz JFRTTYJIJVBYQS-DTWKUNHWSA-N -1 0 307.372 -0.281 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CCN(S(=O)(=O)N2CCOCC2)C1 ZINC000833814786 605514748 /nfs/dbraw/zinc/51/47/48/605514748.db2.gz CSXGPHGXFZXAPR-UWVGGRQHSA-N -1 0 307.372 -0.459 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCCS(C)(=O)=O ZINC000825822618 605520936 /nfs/dbraw/zinc/52/09/36/605520936.db2.gz JOSKNKVOKDQQGE-BDAKNGLRSA-N -1 0 307.372 -0.139 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000833883624 605521056 /nfs/dbraw/zinc/52/10/56/605521056.db2.gz NWIUFNUACUKDEW-ZJUUUORDSA-N -1 0 309.388 -0.213 20 0 DBADRM O=C([O-])N1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccnc2)C1 ZINC000831958628 605521054 /nfs/dbraw/zinc/52/10/54/605521054.db2.gz MOXLGULBERURNY-SNVBAGLBSA-N -1 0 314.367 -0.298 20 0 DBADRM O=C([O-])N1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccnc2)C1 ZINC000831958627 605521120 /nfs/dbraw/zinc/52/11/20/605521120.db2.gz MOXLGULBERURNY-JTQLQIEISA-N -1 0 314.367 -0.298 20 0 DBADRM O=C([O-])NCCOCC(=O)NCCC1CCS(=O)(=O)CC1 ZINC000834243203 605525115 /nfs/dbraw/zinc/52/51/15/605525115.db2.gz UXKDBOQMBYAUMU-UHFFFAOYSA-N -1 0 322.383 -0.398 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N[C@@H](CO)C2CC2)CC1 ZINC000834041681 605528813 /nfs/dbraw/zinc/52/88/13/605528813.db2.gz NTTLEUOQDAFLFP-NSHDSACASA-N -1 0 300.359 -0.648 20 0 DBADRM COCCC1(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000828933618 605530279 /nfs/dbraw/zinc/53/02/79/605530279.db2.gz FFPBQTOBJKQTQE-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3cn4cccnc4n3)C2)nn1 ZINC000833783998 605534708 /nfs/dbraw/zinc/53/47/08/605534708.db2.gz USIREEHAQCJBFD-UHFFFAOYSA-N -1 0 313.277 -0.284 20 0 DBADRM CC[C@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)N1CCCC1=O ZINC000833635864 605534791 /nfs/dbraw/zinc/53/47/91/605534791.db2.gz BHJAVIPGELXQGU-LLVKDONJSA-N -1 0 321.337 -0.239 20 0 DBADRM CC(C)(C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)S(C)(=O)=O ZINC000092696817 605539829 /nfs/dbraw/zinc/53/98/29/605539829.db2.gz CPWUBOWYUJOZFF-UHFFFAOYSA-N -1 0 316.339 -0.817 20 0 DBADRM Cn1cnn(CC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)c1=O ZINC000833957688 605543965 /nfs/dbraw/zinc/54/39/65/605543965.db2.gz VQKQSNUMUXTLCT-LLVKDONJSA-N -1 0 319.321 -0.293 20 0 DBADRM Cn1cnn(CC(=O)NC[C@H](NC(=O)[O-])c2ccccc2)c1=O ZINC000833957689 605544296 /nfs/dbraw/zinc/54/42/96/605544296.db2.gz VQKQSNUMUXTLCT-NSHDSACASA-N -1 0 319.321 -0.293 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCOC[C@@H]2CCO)C1 ZINC000834120106 605546066 /nfs/dbraw/zinc/54/60/66/605546066.db2.gz UIJFAHRGGJCFFO-QWRGUYRKSA-N -1 0 302.327 -0.635 20 0 DBADRM Cn1nnnc1SCCC(=O)NC[C@H]1CCN(C(=O)[O-])C1 ZINC000833960333 605546736 /nfs/dbraw/zinc/54/67/36/605546736.db2.gz IMTGUSMKJVRWAX-MRVPVSSYSA-N -1 0 314.371 -0.192 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)OCCN1CCCS1(=O)=O ZINC000824144262 605549626 /nfs/dbraw/zinc/54/96/26/605549626.db2.gz UNCZKICUSRGZFX-VIFPVBQESA-N -1 0 308.356 -0.143 20 0 DBADRM O=C(CC1CN(C(=O)[O-])C1)OCCN1CCCS1(=O)=O ZINC000831374508 605551623 /nfs/dbraw/zinc/55/16/23/605551623.db2.gz HZTHKJDNQZHOQT-UHFFFAOYSA-N -1 0 306.340 -0.435 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC000833616455 605559394 /nfs/dbraw/zinc/55/93/94/605559394.db2.gz UWBUPMVNRKELIH-MRVPVSSYSA-N -1 0 315.355 -0.580 20 0 DBADRM O=C([O-])N1CC(C(=O)NCCC2CCS(=O)(=O)CC2)C1 ZINC000834036530 605565824 /nfs/dbraw/zinc/56/58/24/605565824.db2.gz CHVBVCRZFWATOS-UHFFFAOYSA-N -1 0 304.368 -0.073 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC000833697509 605566450 /nfs/dbraw/zinc/56/64/50/605566450.db2.gz MORWYCZVYNJROM-UHFFFAOYSA-N -1 0 321.337 -0.931 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NC(C)(C)CNC(=O)[O-] ZINC000827481289 605566703 /nfs/dbraw/zinc/56/67/03/605566703.db2.gz VMKFARYVQMKZCS-UHFFFAOYSA-N -1 0 310.376 -0.729 20 0 DBADRM O=C([O-])N1CC[C@H](N2CCN(C(=O)N3CCOCC3)CC2)C1 ZINC000834081845 605581428 /nfs/dbraw/zinc/58/14/28/605581428.db2.gz BXYWVPLMFLFFMU-LBPRGKRZSA-N -1 0 312.370 -0.192 20 0 DBADRM NC(=O)[C@H]1CCCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000831178653 605583055 /nfs/dbraw/zinc/58/30/55/605583055.db2.gz KOKCQYXVSKAQRK-QWRGUYRKSA-N -1 0 313.354 -0.131 20 0 DBADRM O=C([O-])N1CC[C@@H](N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000834014328 605583196 /nfs/dbraw/zinc/58/31/96/605583196.db2.gz AYYOXAYYTIWWJY-LLVKDONJSA-N -1 0 310.354 -0.839 20 0 DBADRM O=C([O-])N1CC[C@@H](N2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000834085994 605590937 /nfs/dbraw/zinc/59/09/37/605590937.db2.gz UJYVABMOUFGXAA-LLVKDONJSA-N -1 0 317.353 -0.001 20 0 DBADRM COCCNC(=O)CNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000828990648 605596297 /nfs/dbraw/zinc/59/62/97/605596297.db2.gz GWJSRPKLBPDAFL-VIFPVBQESA-N -1 0 319.383 -0.649 20 0 DBADRM COCCNC(=O)CNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000828990643 605596362 /nfs/dbraw/zinc/59/63/62/605596362.db2.gz GWJSRPKLBPDAFL-SECBINFHSA-N -1 0 319.383 -0.649 20 0 DBADRM O=C(C[C@H]1CSCCN1C(=O)[O-])NCCN1CCOCC1 ZINC000831407556 605596883 /nfs/dbraw/zinc/59/68/83/605596883.db2.gz HEVDYTTVAKLXEM-NSHDSACASA-N -1 0 317.411 -0.080 20 0 DBADRM Cc1cncc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000833912015 605611824 /nfs/dbraw/zinc/61/18/24/605611824.db2.gz IZMHALZDCNCZQG-UHFFFAOYSA-N -1 0 306.322 -0.172 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1C(=O)[O-] ZINC000035794435 605616695 /nfs/dbraw/zinc/61/66/95/605616695.db2.gz RNZBIIRNCRKMTJ-LURJTMIESA-N -1 0 302.308 -0.455 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCOC[C@@H]2C2CC2)C(=O)C1 ZINC000834112926 605617541 /nfs/dbraw/zinc/61/75/41/605617541.db2.gz ISDHKQJKZNKVFL-LLVKDONJSA-N -1 0 311.338 -0.554 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@H](CO)Cc1ccco1 ZINC000831615753 605624272 /nfs/dbraw/zinc/62/42/72/605624272.db2.gz DFJGEYRUHPWSNS-ZYHUDNBSSA-N -1 0 312.322 -0.074 20 0 DBADRM Cn1c(N[C@H]2CCCN(C(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000739014920 605625941 /nfs/dbraw/zinc/62/59/41/605625941.db2.gz YAQFZJHNTCYBDP-ZETCQYMHSA-N -1 0 322.325 -0.073 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000827481929 605628061 /nfs/dbraw/zinc/62/80/61/605628061.db2.gz ZBPGBCRCTUURQA-MRVPVSSYSA-N -1 0 309.388 -0.276 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CCN(C(=O)[O-])C[C@H]2C)C1=O ZINC000739809712 605628434 /nfs/dbraw/zinc/62/84/34/605628434.db2.gz GKAUEDOUAXHRFH-NOZJJQNGSA-N -1 0 314.342 -0.415 20 0 DBADRM O=C(C[C@H]1CSCCN1C(=O)[O-])N[C@@H]1CCCNC1=O ZINC000831408345 605630938 /nfs/dbraw/zinc/63/09/38/605630938.db2.gz MRIAFRVILHRQFV-DTWKUNHWSA-N -1 0 301.368 -0.133 20 0 DBADRM CC(C)(CNC(=O)C(=O)Nc1cccc(C(N)=O)n1)C(=O)[O-] ZINC000833458079 605635707 /nfs/dbraw/zinc/63/57/07/605635707.db2.gz MCYAVVKSVZGXGM-UHFFFAOYSA-N -1 0 308.294 -0.654 20 0 DBADRM Cn1nccc1NC(=O)C(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000833964209 605636892 /nfs/dbraw/zinc/63/68/92/605636892.db2.gz WDMPCVRPFDABQY-VIFPVBQESA-N -1 0 309.326 -0.135 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000828342037 605641422 /nfs/dbraw/zinc/64/14/22/605641422.db2.gz ZMMMPGITVIAXCQ-SECBINFHSA-N -1 0 324.424 -0.025 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])C1 ZINC000831178888 605644761 /nfs/dbraw/zinc/64/47/61/605644761.db2.gz NDKIFEKMVOCSAS-IUCAKERBSA-N -1 0 301.368 -0.194 20 0 DBADRM CCN(CCCNC(=O)C1CN(C(=O)[O-])C1)S(C)(=O)=O ZINC000833858951 605650635 /nfs/dbraw/zinc/65/06/35/605650635.db2.gz VRCUPDXCFRLEKY-UHFFFAOYSA-N -1 0 307.372 -0.616 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NC[C@H]2CN3CCN2CC3)C1 ZINC000834085610 605651180 /nfs/dbraw/zinc/65/11/80/605651180.db2.gz SEQPSUCEMBFBBX-GXFFZTMASA-N -1 0 300.334 -0.806 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cc2cnn(C)c2)[C@@H](C(=O)[O-])C1 ZINC000833710150 605651743 /nfs/dbraw/zinc/65/17/43/605651743.db2.gz ORGKCLSGFYDKBE-GHMZBOCLSA-N -1 0 309.322 -0.173 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CN3CCN2CC3)C1 ZINC000834166376 605652170 /nfs/dbraw/zinc/65/21/70/605652170.db2.gz DXNMRLAQBCFDEE-YNEHKIRRSA-N -1 0 310.398 -0.071 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC000833664786 605655455 /nfs/dbraw/zinc/65/54/55/605655455.db2.gz AGLSLBLXAYPLTJ-DTWKUNHWSA-N -1 0 321.351 -0.714 20 0 DBADRM O=C([O-])NCC1(C(=O)NC[C@H]2CN3CCN2CC3)CCCC1 ZINC000834205587 605655997 /nfs/dbraw/zinc/65/59/97/605655997.db2.gz BWKQUIXWBNWOBS-LBPRGKRZSA-N -1 0 310.398 -0.070 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000823986195 605656558 /nfs/dbraw/zinc/65/65/58/605656558.db2.gz MSRDIXCGDLGCRP-SFYZADRCSA-N -1 0 302.331 -0.635 20 0 DBADRM CN1CCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1=O ZINC000828494273 605658883 /nfs/dbraw/zinc/65/88/83/605658883.db2.gz IZOIZGIGCXWJGI-SECBINFHSA-N -1 0 301.368 -0.228 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NC[C@@H]1CCCn2ccnc21 ZINC000834031859 605659348 /nfs/dbraw/zinc/65/93/48/605659348.db2.gz LCLTVMIOGLTSSW-AXFHLTTASA-N -1 0 308.338 -0.010 20 0 DBADRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)NCC1(CO)COC1 ZINC000834213535 605659744 /nfs/dbraw/zinc/65/97/44/605659744.db2.gz YMLFSWSBGPCBOC-ZJUUUORDSA-N -1 0 301.343 -0.269 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)cn1 ZINC000833867652 605662617 /nfs/dbraw/zinc/66/26/17/605662617.db2.gz WQTJGSWMWPZGEJ-MRVPVSSYSA-N -1 0 307.310 -0.154 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)cn1 ZINC000833867653 605662987 /nfs/dbraw/zinc/66/29/87/605662987.db2.gz WQTJGSWMWPZGEJ-QMMMGPOBSA-N -1 0 307.310 -0.154 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccc2c(c1)OCO2 ZINC000833981047 605666111 /nfs/dbraw/zinc/66/61/11/605666111.db2.gz BQQRXQPOWIBAJG-QMMMGPOBSA-N -1 0 309.278 -0.457 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000833983757 605666182 /nfs/dbraw/zinc/66/61/82/605666182.db2.gz JSSINOONIFINSA-QMMMGPOBSA-N -1 0 307.266 -0.281 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1nnc2n1CCCCC2 ZINC000833984030 605666841 /nfs/dbraw/zinc/66/68/41/605666841.db2.gz ZQJYUEBUUVUAJQ-QMMMGPOBSA-N -1 0 324.341 -0.868 20 0 DBADRM NC(=O)[C@H]1COCCN1C(=O)c1csc(CNC(=O)[O-])n1 ZINC000833980336 605667266 /nfs/dbraw/zinc/66/72/66/605667266.db2.gz KWXJIWOCURJWLG-SSDOTTSWSA-N -1 0 314.323 -0.763 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)N2CCN3C(=O)NC[C@H]3C2)C1 ZINC000831987966 605667707 /nfs/dbraw/zinc/66/77/07/605667707.db2.gz ZIDWHLBDDZCDLH-UWVGGRQHSA-N -1 0 311.342 -0.452 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CCN2CCCS2(=O)=O)CCO1 ZINC000833821036 605669010 /nfs/dbraw/zinc/66/90/10/605669010.db2.gz XKZUQYSGYVPBBI-WDEREUQCSA-N -1 0 321.399 -0.621 20 0 DBADRM Cn1c2ccc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])cc2oc1=O ZINC000833940086 605669171 /nfs/dbraw/zinc/66/91/71/605669171.db2.gz GJGSPNAZECHMKW-ZETCQYMHSA-N -1 0 322.277 -0.418 20 0 DBADRM NC(=O)[C@@H]1COCCN1C(=O)CN(C(=O)[O-])c1ccccc1 ZINC000833979875 605671099 /nfs/dbraw/zinc/67/10/99/605671099.db2.gz IVROUWHWTMPCKL-NSHDSACASA-N -1 0 307.306 -0.116 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000824294687 605676838 /nfs/dbraw/zinc/67/68/38/605676838.db2.gz DSIUPRWOCHFMOE-JTQLQIEISA-N -1 0 321.399 -0.180 20 0 DBADRM Cn1cnn(CC(=O)Oc2cccc(CNC(=O)[O-])c2)c1=O ZINC000833956349 605677035 /nfs/dbraw/zinc/67/70/35/605677035.db2.gz LISANLCAXHMNPP-UHFFFAOYSA-N -1 0 306.278 -0.045 20 0 DBADRM CN(CCCNC(=O)[C@]1(C)CCCN1C(=O)[O-])S(C)(=O)=O ZINC000833873162 605682175 /nfs/dbraw/zinc/68/21/75/605682175.db2.gz RLOHXFBAMLKQDV-LBPRGKRZSA-N -1 0 321.399 -0.083 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCO[C@H](CN(C)c2cccnn2)C1 ZINC000825177146 605684989 /nfs/dbraw/zinc/68/49/89/605684989.db2.gz HGYBAAVCCLDIHY-GHMZBOCLSA-N -1 0 323.353 -0.204 20 0 DBADRM Cn1cnn(CC(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)c1=O ZINC000833956366 605690123 /nfs/dbraw/zinc/69/01/23/605690123.db2.gz LUQJVNUZQJASHV-JTQLQIEISA-N -1 0 311.342 -0.522 20 0 DBADRM CC(C)(CC(=O)[O-])CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000833455271 605697295 /nfs/dbraw/zinc/69/72/95/605697295.db2.gz WAOHWWULVGJIJW-LLVKDONJSA-N -1 0 302.371 -0.313 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000828340681 605697313 /nfs/dbraw/zinc/69/73/13/605697313.db2.gz CUPMQXZOIXELPE-UHFFFAOYSA-N -1 0 321.399 -0.779 20 0 DBADRM NC(=O)c1cc(CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)on1 ZINC000831214779 605715486 /nfs/dbraw/zinc/71/54/86/605715486.db2.gz DWUIDIQHLYQQHH-MRVPVSSYSA-N -1 0 312.282 -0.841 20 0 DBADRM O=C([O-])N1CC(CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC000834289906 605716389 /nfs/dbraw/zinc/71/63/89/605716389.db2.gz QTKUTOGBWRAWFW-UHFFFAOYSA-N -1 0 306.278 -0.248 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828656515 605718231 /nfs/dbraw/zinc/71/82/31/605718231.db2.gz SSUCZDNGPHMMOF-UWVGGRQHSA-N -1 0 300.311 -0.081 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N[C@H](CO)CC(F)(F)F ZINC000834017005 605723626 /nfs/dbraw/zinc/72/36/26/605723626.db2.gz YNXUISVEUHIKJW-XVMARJQXSA-N -1 0 300.233 -0.471 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N[C@@H](CO)CC(F)(F)F)C1 ZINC000834011579 605723672 /nfs/dbraw/zinc/72/36/72/605723672.db2.gz XWHBBLGWARPEPG-ZCFIWIBFSA-N -1 0 300.233 -0.205 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H](CO)C1CCCCC1 ZINC000834197534 605726207 /nfs/dbraw/zinc/72/62/07/605726207.db2.gz VDPINUNGCRAPMP-SNVBAGLBSA-N -1 0 301.343 -0.572 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NCCNC(=O)c2ccco2)C1 ZINC000834042622 605728635 /nfs/dbraw/zinc/72/86/35/605728635.db2.gz ZTCUIWBVVVQFBN-UHFFFAOYSA-N -1 0 310.310 -0.082 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000834035418 605728681 /nfs/dbraw/zinc/72/86/81/605728681.db2.gz PJDBCZRUSMULMW-QMMMGPOBSA-N -1 0 305.356 -0.670 20 0 DBADRM Cn1c(=O)ccn(CC(=O)OC2CCN(C(=O)[O-])CC2)c1=O ZINC000833940348 605728912 /nfs/dbraw/zinc/72/89/12/605728912.db2.gz MZTPSRLZUZDYJN-UHFFFAOYSA-N -1 0 311.294 -0.767 20 0 DBADRM NC(=O)C1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000833981350 605731353 /nfs/dbraw/zinc/73/13/53/605731353.db2.gz UGDHCRNTVXCCOA-JTQLQIEISA-N -1 0 319.383 -0.344 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000736421223 605732009 /nfs/dbraw/zinc/73/20/09/605732009.db2.gz LIRKQQRFTHPNNB-ZJUUUORDSA-N -1 0 321.399 -0.052 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NCCN2C(=O)CSC2=O)C1 ZINC000834040409 605732921 /nfs/dbraw/zinc/73/29/21/605732921.db2.gz AXWZTSVMIXMANX-UHFFFAOYSA-N -1 0 316.339 -0.409 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CN(C)S(C)(=O)=O ZINC000825810196 605739850 /nfs/dbraw/zinc/73/98/50/605739850.db2.gz SXKHWOVNSULBSV-RKDXNWHRSA-N -1 0 307.372 -0.475 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCC1(CO)CCOCC1 ZINC000834021669 605743465 /nfs/dbraw/zinc/74/34/65/605743465.db2.gz JCJTVXSTFKOIGM-SECBINFHSA-N -1 0 304.368 -0.055 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000834011121 605747526 /nfs/dbraw/zinc/74/75/26/605747526.db2.gz RRGKAYXIAXGOGE-QMTHXVAHSA-N -1 0 314.338 -0.181 20 0 DBADRM O=C([O-])NCCOCC(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000834243628 605748443 /nfs/dbraw/zinc/74/84/43/605748443.db2.gz YVWZVPDXJAIQGM-GXFFZTMASA-N -1 0 302.327 -0.275 20 0 DBADRM Cc1nccn1C[C@H](C)CNC(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833916793 605753224 /nfs/dbraw/zinc/75/32/24/605753224.db2.gz BRRLBUZCTNXFBF-PSASIEDQSA-N -1 0 311.342 -0.545 20 0 DBADRM Cc1ncsc1CN(C)C(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833917847 605757400 /nfs/dbraw/zinc/75/74/00/605757400.db2.gz LSHPNLCDKPFVJM-SSDOTTSWSA-N -1 0 300.340 -0.078 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000833806121 605759045 /nfs/dbraw/zinc/75/90/45/605759045.db2.gz JTPDCXQJYQVGHC-ZETCQYMHSA-N -1 0 316.339 -0.638 20 0 DBADRM C[C@@H](CCNC(=O)c1ccc(S(N)(=O)=O)nc1)NC(=O)[O-] ZINC000833804328 605759358 /nfs/dbraw/zinc/75/93/58/605759358.db2.gz FBRUSHHZRVFVSN-ZETCQYMHSA-N -1 0 316.339 -0.495 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000833981272 605759850 /nfs/dbraw/zinc/75/98/50/605759850.db2.gz TWDHDWBELJEPDJ-ANLVUFKYSA-N -1 0 313.232 -0.976 20 0 DBADRM Cn1cc(C2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])CC2)cn1 ZINC000833946915 605759909 /nfs/dbraw/zinc/75/99/09/605759909.db2.gz KYRBHCZLYYHLSY-LLVKDONJSA-N -1 0 323.353 -0.362 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CCC(OCC2CC2)CC1 ZINC000833980620 605760211 /nfs/dbraw/zinc/76/02/11/605760211.db2.gz OEGGJGUJKFUHIB-LLVKDONJSA-N -1 0 313.354 -0.084 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000833981719 605761593 /nfs/dbraw/zinc/76/15/93/605761593.db2.gz WWRPPTWJPYYMPJ-WDEREUQCSA-N -1 0 322.321 -0.427 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccn2ccnc2c1 ZINC000833983738 605762545 /nfs/dbraw/zinc/76/25/45/605762545.db2.gz XFYCPRNDLWZBAN-SECBINFHSA-N -1 0 305.294 -0.538 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@@H](NC(=O)[O-])C(C)(C)C)C1 ZINC000827960020 605767550 /nfs/dbraw/zinc/76/75/50/605767550.db2.gz DIZFVNFYZHBHHJ-LLVKDONJSA-N -1 0 315.370 -0.016 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CNC(=O)C2CC2)[C@@H](C(=O)[O-])C1 ZINC000833711389 605768745 /nfs/dbraw/zinc/76/87/45/605768745.db2.gz WUCAVSULJJMBAR-VHSXEESVSA-N -1 0 312.322 -0.623 20 0 DBADRM C=CC(=O)NCCC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC000833371683 605768836 /nfs/dbraw/zinc/76/88/36/605768836.db2.gz JUMYUUWULIUOFD-NXEZZACHSA-N -1 0 312.322 -0.457 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NCCc2nnc3n2CCC3)C1 ZINC000834049048 605770393 /nfs/dbraw/zinc/77/03/93/605770393.db2.gz JQJLCAWDXSMFGT-UHFFFAOYSA-N -1 0 308.342 -0.324 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(OCCO)cc1 ZINC000833985269 605772861 /nfs/dbraw/zinc/77/28/61/605772861.db2.gz XDFUSCWISMAYHK-SNVBAGLBSA-N -1 0 311.294 -0.492 20 0 DBADRM COCC1(O)CCN(C(=O)NCC2CN(C(=O)[O-])C2)CC1 ZINC000833882492 605773022 /nfs/dbraw/zinc/77/30/22/605773022.db2.gz SQWQADGUXKKCSN-UHFFFAOYSA-N -1 0 301.343 -0.221 20 0 DBADRM COC(=O)CCNC(=O)CN(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000833877621 605783257 /nfs/dbraw/zinc/78/32/57/605783257.db2.gz ACVDCNZQKGYBAI-NSHDSACASA-N -1 0 313.354 -0.118 20 0 DBADRM Cn1nnnc1CCNC(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000833960372 605785085 /nfs/dbraw/zinc/78/50/85/605785085.db2.gz JGWLWGAFQFKBNP-NSHDSACASA-N -1 0 318.337 -0.080 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000824211417 605787176 /nfs/dbraw/zinc/78/71/76/605787176.db2.gz PTNIPIAKQZXLEZ-KXUCPTDWSA-N -1 0 301.343 -0.182 20 0 DBADRM O=C([O-])N1CCN(CCNC(=S)NC[C@@H]2CCOC2)CC1 ZINC000834112591 605788876 /nfs/dbraw/zinc/78/88/76/605788876.db2.gz FKOOTNANHPZMAR-NSHDSACASA-N -1 0 316.427 -0.217 20 0 DBADRM O=C([O-])N1CCN(CCNC(=S)NC[C@H]2CCOC2)CC1 ZINC000834112589 605789010 /nfs/dbraw/zinc/78/90/10/605789010.db2.gz FKOOTNANHPZMAR-LLVKDONJSA-N -1 0 316.427 -0.217 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000833810040 605789278 /nfs/dbraw/zinc/78/92/78/605789278.db2.gz WWBIUKMCVMDIPU-GHMZBOCLSA-N -1 0 302.375 -0.090 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000833810379 605796903 /nfs/dbraw/zinc/79/69/03/605796903.db2.gz YXJOCSSZRILCCA-DJLDLDEBSA-N -1 0 302.331 -0.778 20 0 DBADRM Cn1nnnc1CCNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000833959539 605797209 /nfs/dbraw/zinc/79/72/09/605797209.db2.gz AKHDDUZIHMEEKA-SECBINFHSA-N -1 0 311.346 -0.558 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CCCOC(=O)NC(N)=O)CCO1 ZINC000833820860 605805433 /nfs/dbraw/zinc/80/54/33/605805433.db2.gz UYBHHIOJIAXUCV-RKDXNWHRSA-N -1 0 318.330 -0.462 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000825172165 605805558 /nfs/dbraw/zinc/80/55/58/605805558.db2.gz QVBSXQLOCJAOIP-SECBINFHSA-N -1 0 301.343 -0.620 20 0 DBADRM C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)CC(=O)[O-] ZINC000819883082 605807630 /nfs/dbraw/zinc/80/76/30/605807630.db2.gz NENXAIMPFARTMB-MRVPVSSYSA-N -1 0 315.351 -0.323 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCS[C@@H]2COCC[C@@H]21 ZINC000831852192 605808315 /nfs/dbraw/zinc/80/83/15/605808315.db2.gz LYLFXDITISJTJN-LMLFDSFASA-N -1 0 316.379 -0.168 20 0 DBADRM CCS(=O)(=O)CCNC(=O)NC[C@@H](NC(=O)[O-])C1CC1 ZINC000833863252 605817031 /nfs/dbraw/zinc/81/70/31/605817031.db2.gz JBDYSMIHYWVTJL-SECBINFHSA-N -1 0 307.372 -0.234 20 0 DBADRM CC[C@@](C)(CNC(=O)[O-])C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000833841644 605818130 /nfs/dbraw/zinc/81/81/30/605818130.db2.gz QZOIVEODRDKKKL-ZDUSSCGKSA-N -1 0 311.342 -0.060 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)CCN1CCCS1(=O)=O ZINC000833809268 605818226 /nfs/dbraw/zinc/81/82/26/605818226.db2.gz JGOYNHIEPONMSN-SECBINFHSA-N -1 0 307.372 -0.568 20 0 DBADRM Cc1nnc2n1C[C@@H](NC(=O)N[C@H]1CCN(C(=O)[O-])C1)CC2 ZINC000833927960 605821793 /nfs/dbraw/zinc/82/17/93/605821793.db2.gz PSMTUHHUXAPBLU-UWVGGRQHSA-N -1 0 308.342 -0.047 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NCC1(CO)CCOCC1 ZINC000833806066 605823485 /nfs/dbraw/zinc/82/34/85/605823485.db2.gz CDOKLCBMLMELNI-JTQLQIEISA-N -1 0 303.359 -0.022 20 0 DBADRM O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCN(CCO)CC2)CC1 ZINC000834088875 605823834 /nfs/dbraw/zinc/82/38/34/605823834.db2.gz NOJVXQXKYQSUGM-GFCCVEGCSA-N -1 0 311.382 -0.097 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)NC[C@@H](NC(=O)[O-])C2CC2)O1 ZINC000833980857 605823909 /nfs/dbraw/zinc/82/39/09/605823909.db2.gz NFBJJZLEWCQUGY-BBBLOLIVSA-N -1 0 314.342 -0.635 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000834023376 605851876 /nfs/dbraw/zinc/85/18/76/605851876.db2.gz YRVFKAPALSPISI-MWLCHTKSSA-N -1 0 311.338 -0.508 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000834023377 605852070 /nfs/dbraw/zinc/85/20/70/605852070.db2.gz YRVFKAPALSPISI-ONGXEEELSA-N -1 0 311.338 -0.508 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)CNC(=O)Cc2ccc(O)cc2)C1 ZINC000834013179 605856648 /nfs/dbraw/zinc/85/66/48/605856648.db2.gz SVZSDQLHQTZAAF-NSHDSACASA-N -1 0 321.333 -0.081 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)CNC(=O)c1ccncc1)C1CC1 ZINC000834140028 605862733 /nfs/dbraw/zinc/86/27/33/605862733.db2.gz KRYQCEPTYOEUDH-NSHDSACASA-N -1 0 306.322 -0.026 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)CNC(=O)c1ccccn1)C1CC1 ZINC000834142155 605866399 /nfs/dbraw/zinc/86/63/99/605866399.db2.gz YVLFWEOPLIMDQL-LLVKDONJSA-N -1 0 306.322 -0.026 20 0 DBADRM O=C([O-])NCCCNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000834237724 605871129 /nfs/dbraw/zinc/87/11/29/605871129.db2.gz PGWXZBIERJUEFL-SECBINFHSA-N -1 0 318.355 -0.220 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000833950568 605878905 /nfs/dbraw/zinc/87/89/05/605878905.db2.gz IKNZUCUDHDSBAQ-SECBINFHSA-N -1 0 311.294 -0.914 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC000824832948 605880061 /nfs/dbraw/zinc/88/00/61/605880061.db2.gz KSPNGDSJSRDURF-ZJUUUORDSA-N -1 0 321.399 -0.098 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)C(F)(F)C2(O)CCC2)CC1 ZINC000834112476 605887407 /nfs/dbraw/zinc/88/74/07/605887407.db2.gz AOTYQRUZHOXPJO-UHFFFAOYSA-N -1 0 321.324 -0.052 20 0 DBADRM O=C([O-])N[C@H]1CCN(CN2C(=O)NC3(CCOCC3)C2=O)C1 ZINC000740595719 605901118 /nfs/dbraw/zinc/90/11/18/605901118.db2.gz HVPVCBRWQZKSPM-VIFPVBQESA-N -1 0 312.326 -0.613 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CCO1 ZINC000833878488 605909356 /nfs/dbraw/zinc/90/93/56/605909356.db2.gz SUEHSXVVZSIFDP-NXEZZACHSA-N -1 0 314.342 -0.715 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NCC(C)(C)NC(=O)[O-])CCO1 ZINC000833876492 605910578 /nfs/dbraw/zinc/91/05/78/605910578.db2.gz HEVIBGKLKBDAQH-MRVPVSSYSA-N -1 0 302.331 -0.811 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NC[C@@H](C)CNC(=O)[O-])CCO1 ZINC000833878434 605910807 /nfs/dbraw/zinc/91/08/07/605910807.db2.gz RZHGKFMPAZQQOA-RKDXNWHRSA-N -1 0 302.331 -0.954 20 0 DBADRM CC(=O)N1CCC(NC(=O)CN2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000738521125 605911767 /nfs/dbraw/zinc/91/17/67/605911767.db2.gz JCADCBMPPYGTTM-LBPRGKRZSA-N -1 0 312.370 -0.545 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)N[C@H](C)CCNC(=O)[O-])CCO1 ZINC000833876734 605916345 /nfs/dbraw/zinc/91/63/45/605916345.db2.gz ISJIVAPRGHGEPB-BDAKNGLRSA-N -1 0 302.331 -0.811 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NC[C@@H](NC(=O)[O-])C(C)C)CCO1 ZINC000833876087 605916414 /nfs/dbraw/zinc/91/64/14/605916414.db2.gz DVCPCGPQIGZFGL-ZJUUUORDSA-N -1 0 316.358 -0.565 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCC[C@H](C)NC(=O)[O-] ZINC000833897856 605919710 /nfs/dbraw/zinc/91/97/10/605919710.db2.gz OWNFYKYQDGCAMZ-VIFPVBQESA-N -1 0 324.337 -0.205 20 0 DBADRM COCCCS(=O)(=O)NCCN1CC[C@H](NC(=O)[O-])C1 ZINC000828964562 605919797 /nfs/dbraw/zinc/91/97/97/605919797.db2.gz YQUVIXJDGGPEAD-JTQLQIEISA-N -1 0 309.388 -0.716 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC(NC(=O)[O-])CC2)ccc1=O ZINC000833951392 605920460 /nfs/dbraw/zinc/92/04/60/605920460.db2.gz UQHHAAOZCHUKAL-UHFFFAOYSA-N -1 0 322.321 -0.418 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCCN(C(=O)[O-])CC2)ccc1=O ZINC000833950758 605920623 /nfs/dbraw/zinc/92/06/23/605920623.db2.gz PVWPYFYWRBAXEH-UHFFFAOYSA-N -1 0 322.321 -0.464 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000833898843 605921939 /nfs/dbraw/zinc/92/19/39/605921939.db2.gz WJVBHMPUXQYZRH-VIFPVBQESA-N -1 0 322.321 -0.499 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC2CCN(C(=O)[O-])CC2)ccc1=O ZINC000833951706 605922709 /nfs/dbraw/zinc/92/27/09/605922709.db2.gz WNWHNFAFLXLHPW-UHFFFAOYSA-N -1 0 322.321 -0.418 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N(C)CCN(C)C(=O)[O-] ZINC000833896921 605923291 /nfs/dbraw/zinc/92/32/91/605923291.db2.gz AZBBWBYSSSFUKQ-UHFFFAOYSA-N -1 0 324.337 -0.300 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@H](NC(=O)[O-])C1 ZINC000738599700 605928162 /nfs/dbraw/zinc/92/81/62/605928162.db2.gz FKMDXUCWXJCXHZ-ONGXEEELSA-N -1 0 312.370 -0.546 20 0 DBADRM O=C([O-])NCCC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000833777351 605928604 /nfs/dbraw/zinc/92/86/04/605928604.db2.gz OCGPRQNTHIEQKN-UHFFFAOYSA-N -1 0 319.383 -0.283 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@H](Cn3ccnn3)C2)C1 ZINC000834117407 605928888 /nfs/dbraw/zinc/92/88/88/605928888.db2.gz QZINLGTYZSCFGV-RYUDHWBXSA-N -1 0 323.353 -0.105 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[O-])CCO1 ZINC000833875645 605929758 /nfs/dbraw/zinc/92/97/58/605929758.db2.gz YNNFTQFGUAXRQC-UWVGGRQHSA-N -1 0 301.343 -0.358 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@@H](CCSC)NC(=O)[O-])CCO1 ZINC000833876750 605931174 /nfs/dbraw/zinc/93/11/74/605931174.db2.gz JAMDICVAMZDUQW-RKDXNWHRSA-N -1 0 319.383 -0.651 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000833879116 605931284 /nfs/dbraw/zinc/93/12/84/605931284.db2.gz WYOOADYXWOCCTC-QPUJVOFHSA-N -1 0 303.290 -0.948 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])CC1=O ZINC000833697274 605933533 /nfs/dbraw/zinc/93/35/33/605933533.db2.gz FAEDKDQAFDRYKM-UHFFFAOYSA-N -1 0 323.280 -0.237 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@@H](NC(=O)[O-])C(C)(C)C)CCO1 ZINC000833875704 605935289 /nfs/dbraw/zinc/93/52/89/605935289.db2.gz ZUUXQQUGJXJBCN-RKDXNWHRSA-N -1 0 301.343 -0.358 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@]2(C)CCCN(C(=O)[O-])C2)CCO1 ZINC000833878857 605935415 /nfs/dbraw/zinc/93/54/15/605935415.db2.gz VEQOJPJXORIODF-QMTHXVAHSA-N -1 0 313.354 -0.260 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)CCN(C(=O)[O-])C(C)C)CCO1 ZINC000833876791 605936056 /nfs/dbraw/zinc/93/60/56/605936056.db2.gz JMGOBVLQQBOZOH-JTQLQIEISA-N -1 0 301.343 -0.262 20 0 DBADRM O=C(C[C@@H]1NC(=O)NC1=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000834013360 605936038 /nfs/dbraw/zinc/93/60/38/605936038.db2.gz XVKOYCYDEFQEKW-HNACHXKJSA-N -1 0 310.310 -0.626 20 0 DBADRM O=C([O-])N1CC(CNC(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000834029467 605937828 /nfs/dbraw/zinc/93/78/28/605937828.db2.gz QRXNASQZJHFXOT-UHFFFAOYSA-N -1 0 317.305 -0.001 20 0 DBADRM O=C([O-])NCc1cccc(NC(=O)C(=O)N2CC[C@H](O)C2)c1 ZINC000834247086 605940101 /nfs/dbraw/zinc/94/01/01/605940101.db2.gz IEZWDFHNPVEVKK-NSHDSACASA-N -1 0 307.306 -0.014 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC000834162978 605941510 /nfs/dbraw/zinc/94/15/10/605941510.db2.gz HZIQYTFLKLBOIE-IWSPIJDZSA-N -1 0 310.310 -0.815 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000834166263 605941735 /nfs/dbraw/zinc/94/17/35/605941735.db2.gz DOOITWWKADRBQC-AEJSXWLSSA-N -1 0 324.337 -0.425 20 0 DBADRM O=C([O-])NCC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000834199689 605941970 /nfs/dbraw/zinc/94/19/70/605941970.db2.gz ISBHRQOQRQTIGQ-SSDOTTSWSA-N -1 0 322.364 -0.734 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000833793190 605942127 /nfs/dbraw/zinc/94/21/27/605942127.db2.gz CPGYDMGKVSUEHI-YUMQZZPRSA-N -1 0 300.315 -0.617 20 0 DBADRM COCCN(CC(=O)N[C@@H]1CCN(C(C)=O)C[C@@H]1C)C(=O)[O-] ZINC000833884262 605943434 /nfs/dbraw/zinc/94/34/34/605943434.db2.gz HGXQPOUUZYKMNH-CMPLNLGQSA-N -1 0 315.370 -0.014 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)NC[C@H](NC(=O)[O-])C2CC2)cn1 ZINC000833945931 605945693 /nfs/dbraw/zinc/94/56/93/605945693.db2.gz KKCNEGLTTBUPJD-QWRGUYRKSA-N -1 0 311.342 -0.201 20 0 DBADRM O=C([O-])N1CCC[C@@H]1C(=O)Nc1n[nH]c(SCCO)n1 ZINC000834057734 605952149 /nfs/dbraw/zinc/95/21/49/605952149.db2.gz ICGJHZCHNPDJTN-ZCFIWIBFSA-N -1 0 301.328 -0.030 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCCCN2CCNC(=O)C2)C1 ZINC000834289300 605967125 /nfs/dbraw/zinc/96/71/25/605967125.db2.gz LHZZYOUSWJYRQT-ZDUSSCGKSA-N -1 0 316.333 -0.984 20 0 DBADRM O=C([O-])N[C@H]1CC[C@H](C(=O)NCCCN2CCNC(=O)C2)C1 ZINC000834171941 605967265 /nfs/dbraw/zinc/96/72/65/605967265.db2.gz YLJUOZWTIATFRK-QWRGUYRKSA-N -1 0 312.370 -0.639 20 0 DBADRM Cc1nccn1CCNC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000833918943 605967546 /nfs/dbraw/zinc/96/75/46/605967546.db2.gz WYKXCSYSLXROCJ-LBPRGKRZSA-N -1 0 324.385 -0.215 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000834243611 605972792 /nfs/dbraw/zinc/97/27/92/605972792.db2.gz YRQGDPUWTYIDIW-GHMZBOCLSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C(CN(C(=O)[O-])C1CC1)OCCN1CCCS1(=O)=O ZINC000834003276 605980141 /nfs/dbraw/zinc/98/01/41/605980141.db2.gz VULIYTBIPGNAIF-UHFFFAOYSA-N -1 0 306.340 -0.293 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000833982198 605980385 /nfs/dbraw/zinc/98/03/85/605980385.db2.gz ZQFDIMUQHKJMSO-NEPJUHHUSA-N -1 0 320.349 -0.016 20 0 DBADRM COCCN(CC(=O)N[C@H](CO)C1CCOCC1)C(=O)[O-] ZINC000833884341 605981146 /nfs/dbraw/zinc/98/11/46/605981146.db2.gz JGZFSNDHFIYTON-LLVKDONJSA-N -1 0 304.343 -0.484 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000833469657 605986771 /nfs/dbraw/zinc/98/67/71/605986771.db2.gz XWPVAWFCDJJBSH-UWVGGRQHSA-N -1 0 321.399 -0.324 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000834019012 605988168 /nfs/dbraw/zinc/98/81/68/605988168.db2.gz OGDOZSSEICIHJN-IJLUTSLNSA-N -1 0 320.349 -0.110 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCC[C@@H](C3OCCO3)C2)C1 ZINC000834158240 605996311 /nfs/dbraw/zinc/99/63/11/605996311.db2.gz PMZOULDYZQXPMQ-MNOVXSKESA-N -1 0 313.354 -0.103 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCC[C@H](C3OCCO3)C2)C1 ZINC000834158242 605996459 /nfs/dbraw/zinc/99/64/59/605996459.db2.gz PMZOULDYZQXPMQ-WDEREUQCSA-N -1 0 313.354 -0.103 20 0 DBADRM O=C([O-])NC1CCN(C(=O)C2=NN(CCO)C(=O)CC2)CC1 ZINC000834187405 605997200 /nfs/dbraw/zinc/99/72/00/605997200.db2.gz XSCZNQLFGBTFCA-UHFFFAOYSA-N -1 0 312.326 -0.784 20 0 DBADRM NC(=O)CN1CCC(NC(=O)c2cnc(NC(=O)[O-])cn2)CC1 ZINC000833985809 605999971 /nfs/dbraw/zinc/99/99/71/605999971.db2.gz XOVQQIUWCRXPLP-UHFFFAOYSA-N -1 0 322.325 -0.754 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCc1ccc(CO)cc1 ZINC000834043165 606001781 /nfs/dbraw/zinc/00/17/81/606001781.db2.gz RJLUODLGCJLBEO-CHWSQXEVSA-N -1 0 308.334 -0.049 20 0 DBADRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCCNS(C)(=O)=O ZINC000833824877 606006669 /nfs/dbraw/zinc/00/66/69/606006669.db2.gz JQJLJGRDTWZHRS-BXKDBHETSA-N -1 0 321.399 -0.132 20 0 DBADRM NC(=O)C1(CNC(=O)[C@H](CC(F)F)NC(=O)[O-])CCOCC1 ZINC000833980541 606011633 /nfs/dbraw/zinc/01/16/33/606011633.db2.gz KTKZKHHOFXVOIE-ZETCQYMHSA-N -1 0 323.296 -0.324 20 0 DBADRM O=C([O-])NCC1(C(=O)NCC(=O)N2CCOCC2)CCCC1 ZINC000834208366 606021836 /nfs/dbraw/zinc/02/18/36/606021836.db2.gz ZXHXEIBNBWVIKB-UHFFFAOYSA-N -1 0 313.354 -0.211 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)NCC(=O)N2CCOCC2)o1 ZINC000834245316 606022032 /nfs/dbraw/zinc/02/20/32/606022032.db2.gz AAHUNDJUZSVMPB-UHFFFAOYSA-N -1 0 311.294 -0.364 20 0 DBADRM Cn1cc(NC(=O)c2cnc(NC(=O)[O-])cn2)c(=O)n(C)c1=O ZINC000833949819 606024734 /nfs/dbraw/zinc/02/47/34/606024734.db2.gz BELBIMBRXKBREF-UHFFFAOYSA-N -1 0 320.265 -0.784 20 0 DBADRM O=C([O-])N(CCCNC(=O)NC[C@]1(O)CCOC1)C1CC1 ZINC000834039713 606025199 /nfs/dbraw/zinc/02/51/99/606025199.db2.gz GZIIUYADNWWIAF-CYBMUJFWSA-N -1 0 301.343 -0.031 20 0 DBADRM O=C([O-])N1CCCC[C@@H](NC(=O)NC[C@]2(O)CCOC2)C1 ZINC000834023390 606027075 /nfs/dbraw/zinc/02/70/75/606027075.db2.gz ZBEQURJBUFYAMA-ZWNOBZJWSA-N -1 0 301.343 -0.031 20 0 DBADRM O=C([O-])N1CCCC[C@H](NC(=O)NC[C@]2(O)CCOC2)C1 ZINC000834023388 606027328 /nfs/dbraw/zinc/02/73/28/606027328.db2.gz ZBEQURJBUFYAMA-GXFFZTMASA-N -1 0 301.343 -0.031 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)CCC2CCN(C(=O)[O-])CC2)CCO1 ZINC000833979720 606028522 /nfs/dbraw/zinc/02/85/22/606028522.db2.gz HKOBVHLECBDSRM-NSHDSACASA-N -1 0 313.354 -0.131 20 0 DBADRM O=C([O-])N1CCC[C@H](OCC(=O)NC[C@]2(O)CCOC2)C1 ZINC000834011609 606034801 /nfs/dbraw/zinc/03/48/01/606034801.db2.gz YVCUFFKLWMZZQS-GXFFZTMASA-N -1 0 302.327 -0.587 20 0 DBADRM O=C([O-])N1CCC[C@@H](OCC(=O)NC[C@]2(O)CCOC2)C1 ZINC000834011611 606034869 /nfs/dbraw/zinc/03/48/69/606034869.db2.gz YVCUFFKLWMZZQS-ZWNOBZJWSA-N -1 0 302.327 -0.587 20 0 DBADRM C[C@@H]1[C@H](C)N(Cc2cc(=O)n(C)c(=O)n2C)CCN1C(=O)[O-] ZINC000833826331 606038089 /nfs/dbraw/zinc/03/80/89/606038089.db2.gz GNUURBHIWLNYBN-VHSXEESVSA-N -1 0 310.354 -0.343 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)[O-])CCN1CC1(O)CCS(=O)(=O)CC1 ZINC000833830315 606046437 /nfs/dbraw/zinc/04/64/37/606046437.db2.gz VRLFIGQOZOALIH-MNOVXSKESA-N -1 0 320.411 -0.001 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H](CC(F)F)NC(=O)[O-] ZINC000833838717 606055192 /nfs/dbraw/zinc/05/51/92/606055192.db2.gz PUSCOYLEFYVEHC-NKWVEPMBSA-N -1 0 314.310 -0.077 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833942874 606055258 /nfs/dbraw/zinc/05/52/58/606055258.db2.gz CRZDJYYFJWSIJM-UHFFFAOYSA-N -1 0 309.311 -0.086 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)c2cnc(NC(=O)[O-])cn2)C1 ZINC000833986684 606057532 /nfs/dbraw/zinc/05/75/32/606057532.db2.gz UMTIMTLXODZBFF-ZCFIWIBFSA-N -1 0 315.311 -0.931 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)c2cnc(NC(=O)[O-])cn2)cn1 ZINC000833948845 606062416 /nfs/dbraw/zinc/06/24/16/606062416.db2.gz ZMJTTXWVADLFCY-VIFPVBQESA-N -1 0 306.282 -0.237 20 0 DBADRM O=C(C[C@@H]1CSCCN1C(=O)[O-])NN1CCCNC1=O ZINC000833989635 606064241 /nfs/dbraw/zinc/06/42/41/606064241.db2.gz YSQMQRHTPFQKFQ-MRVPVSSYSA-N -1 0 302.356 -0.082 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000834128291 606065782 /nfs/dbraw/zinc/06/57/82/606065782.db2.gz AXFRWWPXVJUBAV-RNFRBKRXSA-N -1 0 306.269 -0.486 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)NCCNC(=O)c2ccn[nH]2)cn1 ZINC000834279902 606065809 /nfs/dbraw/zinc/06/58/09/606065809.db2.gz MWQIPLUIKBJYOU-UHFFFAOYSA-N -1 0 319.281 -0.551 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000834133326 606078441 /nfs/dbraw/zinc/07/84/41/606078441.db2.gz OSOPARRSHONDRW-BDAKNGLRSA-N -1 0 306.313 -0.606 20 0 DBADRM O=C([O-])N1CC(NC(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000834030775 606097580 /nfs/dbraw/zinc/09/75/80/606097580.db2.gz KLYCKEHKDRBOQG-UHFFFAOYSA-N -1 0 305.356 -0.527 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)OCCC1OCCCO1 ZINC000834005324 606101250 /nfs/dbraw/zinc/10/12/50/606101250.db2.gz MFLSLQFWRIPYQR-UHFFFAOYSA-N -1 0 316.310 -0.495 20 0 DBADRM O=C(CCOC1CN(C(=O)[O-])C1)OCCN1CCOCC1 ZINC000833993203 606102639 /nfs/dbraw/zinc/10/26/39/606102639.db2.gz ACBUDAWFGVFOPT-UHFFFAOYSA-N -1 0 302.327 -0.369 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1C ZINC000820479784 606285592 /nfs/dbraw/zinc/28/55/92/606285592.db2.gz CBKQMQQEFKPLBM-VHSXEESVSA-N -1 0 319.369 -0.278 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2CCCSC2)n(C)c1=O ZINC000822600404 606401767 /nfs/dbraw/zinc/40/17/67/606401767.db2.gz NJJYKSOEWGJDSD-ZETCQYMHSA-N -1 0 323.382 -0.428 20 0 DBADRM Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2ccnn2C)n1 ZINC000822622996 606711136 /nfs/dbraw/zinc/71/11/36/606711136.db2.gz NQDXKUZDHLRZKS-UHFFFAOYSA-N -1 0 309.315 -0.866 20 0 DBADRM Cc1nc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)c[nH]1 ZINC000822472036 606711286 /nfs/dbraw/zinc/71/12/86/606711286.db2.gz NSPHWWLTRAVUQM-UHFFFAOYSA-N -1 0 309.315 -0.567 20 0 DBADRM C[C@H](NS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[O-] ZINC000822000179 607206666 /nfs/dbraw/zinc/20/66/66/607206666.db2.gz AHMYEQJFGTUXFB-ZETCQYMHSA-N -1 0 311.323 -0.241 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc2n[nH]cc2c1 ZINC000823136023 607206668 /nfs/dbraw/zinc/20/66/68/607206668.db2.gz GMPVOZWNLVFMLO-UHFFFAOYSA-N -1 0 310.281 -0.027 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1CC1(Cl)Cl ZINC000823126326 607207798 /nfs/dbraw/zinc/20/77/98/607207798.db2.gz HZHQCGVJEJENIZ-YFKPBYRVSA-N -1 0 317.140 -0.232 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1Cc2ccccc21 ZINC000823126340 607209152 /nfs/dbraw/zinc/20/91/52/607209152.db2.gz IJJUDFZJVBEISI-JTQLQIEISA-N -1 0 310.321 -0.086 20 0 DBADRM COc1cccc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC000821868017 607211982 /nfs/dbraw/zinc/21/19/82/607211982.db2.gz NUFQXIVPOPVGFG-UHFFFAOYSA-N -1 0 315.297 -0.822 20 0 DBADRM Cc1ccc(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)cn1 ZINC000822236243 607216000 /nfs/dbraw/zinc/21/60/00/607216000.db2.gz QDOKRDLANDPMPW-UHFFFAOYSA-N -1 0 313.325 -0.479 20 0 DBADRM CC(C)(C)OC(=O)CCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000819928015 607218477 /nfs/dbraw/zinc/21/84/77/607218477.db2.gz GHHQUMCEPAFHCO-UHFFFAOYSA-N -1 0 322.329 -0.694 20 0 DBADRM CC1(C)[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@H]2CCO[C@H]21 ZINC000820583389 607218686 /nfs/dbraw/zinc/21/86/86/607218686.db2.gz CTJGEANXZFUXOU-SZEHBUNVSA-N -1 0 318.341 -0.612 20 0 DBADRM Cc1cccc(CN(C)C(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC000822303569 607219205 /nfs/dbraw/zinc/21/92/05/607219205.db2.gz FPHLMNOVTJNMDK-UHFFFAOYSA-N -1 0 313.325 -0.180 20 0 DBADRM Cc1nc(C)c(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)s1 ZINC000822431906 607219556 /nfs/dbraw/zinc/21/95/56/607219556.db2.gz OMHDGUSMAQEPKQ-UHFFFAOYSA-N -1 0 319.354 -0.152 20 0 DBADRM CC(C)CC[C@](C)(O)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820072262 607220446 /nfs/dbraw/zinc/22/04/46/607220446.db2.gz DBKUWWSCNLUUDW-ZDUSSCGKSA-N -1 0 322.373 -0.238 20 0 DBADRM C[C@H](Cc1ccncc1)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820298817 607221151 /nfs/dbraw/zinc/22/11/51/607221151.db2.gz AUAZLWZDDMLTSH-SECBINFHSA-N -1 0 313.325 -0.399 20 0 DBADRM Cc1nc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)sc1C ZINC000822440169 607221270 /nfs/dbraw/zinc/22/12/70/607221270.db2.gz JEORIXCONHMBDH-UHFFFAOYSA-N -1 0 319.354 -0.152 20 0 DBADRM C[C@H]1N(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCOC1(C)C ZINC000820814917 607224479 /nfs/dbraw/zinc/22/44/79/607224479.db2.gz ZFQOBRJGQUKNJP-MRVPVSSYSA-N -1 0 306.330 -0.516 20 0 DBADRM CCC(CC)(CO)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825089535 607808738 /nfs/dbraw/zinc/80/87/38/607808738.db2.gz IFQCNSKLOJWMRN-UHFFFAOYSA-N -1 0 308.346 -0.627 20 0 DBADRM CN(C[C@@H]1CCC[C@@H]1O)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825909012 607862595 /nfs/dbraw/zinc/86/25/95/607862595.db2.gz PRQAJYJUDHKBOS-IUCAKERBSA-N -1 0 306.330 -0.922 20 0 DBADRM CCCCCN(CCO)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825276265 607943833 /nfs/dbraw/zinc/94/38/33/607943833.db2.gz UCLURVYWORRLJP-UHFFFAOYSA-N -1 0 308.346 -0.531 20 0 DBADRM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1)C(=O)[O-] ZINC000824640704 608010492 /nfs/dbraw/zinc/01/04/92/608010492.db2.gz NQRASDLTGNPNTQ-YFKPBYRVSA-N -1 0 315.286 -0.243 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000824052988 608011123 /nfs/dbraw/zinc/01/11/23/608011123.db2.gz UPIKDWCNKZZZAF-LURJTMIESA-N -1 0 312.311 -0.645 20 0 DBADRM O=C([O-])CNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000826461163 608010915 /nfs/dbraw/zinc/01/09/15/608010915.db2.gz IRWSASKEHQRROE-UHFFFAOYSA-N -1 0 301.259 -0.631 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000826461065 608011578 /nfs/dbraw/zinc/01/15/78/608011578.db2.gz DVKCJQDACGZWJB-VIFPVBQESA-N -1 0 324.322 -0.501 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000826461064 608011817 /nfs/dbraw/zinc/01/18/17/608011817.db2.gz DVKCJQDACGZWJB-SECBINFHSA-N -1 0 324.322 -0.501 20 0 DBADRM CCOC(=O)C[C@@H](C)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825499897 608040322 /nfs/dbraw/zinc/04/03/22/608040322.db2.gz XJGXYXCOEXCJEN-MRVPVSSYSA-N -1 0 322.329 -0.836 20 0 DBADRM CCc1nn(Cc2cn(C)nn2)c(=O)c(-c2nnn[n-]2)c1CC ZINC000825763126 608077096 /nfs/dbraw/zinc/07/70/96/608077096.db2.gz PFCURCSFYBCTFC-UHFFFAOYSA-N -1 0 315.341 -0.275 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2ncc(C3CC3)o2)c1=O ZINC000826356738 608096443 /nfs/dbraw/zinc/09/64/43/608096443.db2.gz DAZDLTSICSXPFV-UHFFFAOYSA-N -1 0 315.293 -0.359 20 0 DBADRM Cc1noc(C)c1CCn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC000826339057 608096551 /nfs/dbraw/zinc/09/65/51/608096551.db2.gz PRCBPAYNMNSEPD-UHFFFAOYSA-N -1 0 317.309 -0.425 20 0 DBADRM O=C(Nc1cccc(-c2nn[nH]n2)c1)c1n[nH]c(=O)[n-]c1=O ZINC000826456618 608215044 /nfs/dbraw/zinc/21/50/44/608215044.db2.gz OQULUOLJEPDEGD-UHFFFAOYSA-N -1 0 300.238 -0.285 20 0 DBADRM C[C@H]1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC[C@@H]1C ZINC000824961843 608302582 /nfs/dbraw/zinc/30/25/82/608302582.db2.gz JWEONAFOQOWSRQ-IUCAKERBSA-N -1 0 319.369 -0.254 20 0 DBADRM C[C@H]1C[C@@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000824892948 608801144 /nfs/dbraw/zinc/80/11/44/608801144.db2.gz OAFBLQWWDMJFAP-YUMQZZPRSA-N -1 0 321.341 -0.757 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H](CO)c1ccccc1 ZINC000826425188 609397843 /nfs/dbraw/zinc/39/78/43/609397843.db2.gz SOTWYQHXARCJTN-SNVBAGLBSA-N -1 0 314.309 -0.692 20 0 DBADRM CN(C[C@H]1CCCC[C@@H]1O)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825908834 609403571 /nfs/dbraw/zinc/40/35/71/609403571.db2.gz MVMQKNSOUCQYHL-ZJUUUORDSA-N -1 0 320.357 -0.532 20 0 DBADRM CCc1nnc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)s1 ZINC000825767892 609485354 /nfs/dbraw/zinc/48/53/54/609485354.db2.gz SQDMWLOXNJKCQJ-UHFFFAOYSA-N -1 0 320.338 -0.811 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001027450610 665411098 /nfs/dbraw/zinc/41/10/98/665411098.db2.gz SJXGPGBANORBKP-SECBINFHSA-N -1 0 324.385 -0.555 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001027474301 665438218 /nfs/dbraw/zinc/43/82/18/665438218.db2.gz ACTAIUDOVJNISD-MRVPVSSYSA-N -1 0 306.330 -0.635 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC/C=C/C(=O)[O-])C1 ZINC000313804658 665438446 /nfs/dbraw/zinc/43/84/46/665438446.db2.gz GQRBUQLFOARENX-YVGDHZEHSA-N -1 0 320.367 -0.263 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC000977663878 665492221 /nfs/dbraw/zinc/49/22/21/665492221.db2.gz BSWNZUCMAOWLPT-QMMMGPOBSA-N -1 0 321.341 -0.158 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@@H]1CCCO1 ZINC000977747808 665497966 /nfs/dbraw/zinc/49/79/66/665497966.db2.gz CEPDPCSWIQELOQ-MMWGEVLESA-N -1 0 307.354 -0.517 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ccon1 ZINC000977856114 665503045 /nfs/dbraw/zinc/50/30/45/665503045.db2.gz BOVINQIOFWFHCB-PSVAKVPMSA-N -1 0 304.310 -0.394 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cnsn1 ZINC000977884914 665504635 /nfs/dbraw/zinc/50/46/35/665504635.db2.gz VTPAHDFMMZLIFD-WHUPJOBBSA-N -1 0 321.366 -0.530 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cnns1 ZINC000977898187 665505228 /nfs/dbraw/zinc/50/52/28/665505228.db2.gz PSQCCUJNLUACDK-WHUPJOBBSA-N -1 0 321.366 -0.530 20 0 DBADRM Cc1ncc(C(=O)NC[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)[nH]1 ZINC000977934840 665507342 /nfs/dbraw/zinc/50/73/42/665507342.db2.gz SFDKWLXTQCEOOZ-OWUUHHOZSA-N -1 0 317.353 -0.350 20 0 DBADRM Cn1ccc(C(=O)NC[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)c1 ZINC000977982633 665509314 /nfs/dbraw/zinc/50/93/14/665509314.db2.gz QVWDSWVHUORUMW-CNDDSTCGSA-N -1 0 316.365 -0.043 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@@H]1CC1(F)F ZINC000978143969 665522241 /nfs/dbraw/zinc/52/22/41/665522241.db2.gz RGJLSDAPTRLHSA-MAUMQABQSA-N -1 0 313.308 -0.041 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000978554167 665543028 /nfs/dbraw/zinc/54/30/28/665543028.db2.gz QXGCOIIHRCTCLU-HXFLIBJXSA-N -1 0 321.337 -0.437 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001027655812 665559870 /nfs/dbraw/zinc/55/98/70/665559870.db2.gz AZYYGHGMBHNHEG-ZJUUUORDSA-N -1 0 322.369 -0.788 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC001027678697 665574786 /nfs/dbraw/zinc/57/47/86/665574786.db2.gz HEVWKBBZWADAEI-JTQLQIEISA-N -1 0 319.369 -0.020 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC001027678698 665575327 /nfs/dbraw/zinc/57/53/27/665575327.db2.gz HEVWKBBZWADAEI-SNVBAGLBSA-N -1 0 319.369 -0.020 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001027701869 665585240 /nfs/dbraw/zinc/58/52/40/665585240.db2.gz LJVDLTNRZGCLML-LLVKDONJSA-N -1 0 319.369 -0.170 20 0 DBADRM Cn1nccc1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027783506 665640074 /nfs/dbraw/zinc/64/00/74/665640074.db2.gz DGYDQZATJBQKAP-VIFPVBQESA-N -1 0 305.342 -0.362 20 0 DBADRM O=C(N[C@H]1C[C@H](CNC(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000979374595 665643983 /nfs/dbraw/zinc/64/39/83/665643983.db2.gz UZFXNCHVQUFTBG-FKQCQYRASA-N -1 0 307.310 -0.683 20 0 DBADRM C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027795679 665651562 /nfs/dbraw/zinc/65/15/62/665651562.db2.gz YNCQVDYBFUESKX-WDEREUQCSA-N -1 0 308.386 -0.315 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000979439386 665653642 /nfs/dbraw/zinc/65/36/42/665653642.db2.gz RPGLPACJVPZDNB-KYXWUPHJSA-N -1 0 323.353 -0.644 20 0 DBADRM Cn1cnc(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)c1 ZINC001027825604 665679269 /nfs/dbraw/zinc/67/92/69/665679269.db2.gz CUWQZGCGRYKNCM-SECBINFHSA-N -1 0 305.342 -0.362 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2[C@H]2CCNC2=O)c1[O-] ZINC001027833035 665684891 /nfs/dbraw/zinc/68/48/91/665684891.db2.gz LSHMZYPIIVTILC-ZJUUUORDSA-N -1 0 307.354 -0.494 20 0 DBADRM CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]12 ZINC000979856826 665693437 /nfs/dbraw/zinc/69/34/37/665693437.db2.gz AYDSKJYISSZSPM-IWSPIJDZSA-N -1 0 307.310 -0.731 20 0 DBADRM CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]21 ZINC000979874399 665694177 /nfs/dbraw/zinc/69/41/77/665694177.db2.gz XQNWBLIFQWDVSF-ZMLRMANQSA-N -1 0 320.349 -0.527 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001010063825 665703175 /nfs/dbraw/zinc/70/31/75/665703175.db2.gz HJLCUWHFKSGYKR-DTWKUNHWSA-N -1 0 309.326 -0.984 20 0 DBADRM Cn1cc(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001027862863 665707440 /nfs/dbraw/zinc/70/74/40/665707440.db2.gz YJFGDDJFKRNYTF-QMMMGPOBSA-N -1 0 306.330 -0.967 20 0 DBADRM CCn1ncc(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001027868940 665713846 /nfs/dbraw/zinc/71/38/46/665713846.db2.gz BMYYCCQHSLAJSJ-SECBINFHSA-N -1 0 320.357 -0.484 20 0 DBADRM CC(C)=CC(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001010089615 665723653 /nfs/dbraw/zinc/72/36/53/665723653.db2.gz UAWFZRNHWXKURU-UHFFFAOYSA-N -1 0 309.326 -0.674 20 0 DBADRM CN1C[C@H](C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001027918418 665749918 /nfs/dbraw/zinc/74/99/18/665749918.db2.gz PBIMPDHRHOHSEH-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1[O-] ZINC001010144667 665749181 /nfs/dbraw/zinc/74/91/81/665749181.db2.gz MEPIBBRJDAWTOG-JTQLQIEISA-N -1 0 308.338 -0.113 20 0 DBADRM C[C@H]1C[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)c1cnn(C)c1 ZINC000980361089 665752455 /nfs/dbraw/zinc/75/24/55/665752455.db2.gz WDDADFQGJZYRPC-VHSXEESVSA-N -1 0 319.369 -0.116 20 0 DBADRM Cc1nc[nH]c1C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000980565672 665776355 /nfs/dbraw/zinc/77/63/55/665776355.db2.gz FGSGCSGMTQSASP-VIFPVBQESA-N -1 0 305.342 -0.112 20 0 DBADRM Cn1[nH]c(CN2CCCN(C(=O)c3ccccn3)CC2)nc1=O ZINC000980617711 665780639 /nfs/dbraw/zinc/78/06/39/665780639.db2.gz SGTDYDWVGYMUJD-UHFFFAOYSA-N -1 0 316.365 -0.149 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000936659887 665781819 /nfs/dbraw/zinc/78/18/19/665781819.db2.gz VMURLGZSMVCKAR-SECBINFHSA-N -1 0 311.342 -0.595 20 0 DBADRM Cc1cnc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC000980652769 665783691 /nfs/dbraw/zinc/78/36/91/665783691.db2.gz TYEPETHCOGYBCQ-UHFFFAOYSA-N -1 0 317.353 -0.043 20 0 DBADRM O=C(c1cnccn1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980645058 665783806 /nfs/dbraw/zinc/78/38/06/665783806.db2.gz SRQWOXWMNVMCIL-UHFFFAOYSA-N -1 0 303.326 -0.352 20 0 DBADRM Cn1cc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC000980685791 665787510 /nfs/dbraw/zinc/78/75/10/665787510.db2.gz DSHLINIXAYRWFU-UHFFFAOYSA-N -1 0 305.342 -0.408 20 0 DBADRM CCC(C)(C)[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000843297504 665803789 /nfs/dbraw/zinc/80/37/89/665803789.db2.gz SZYXLLSZTUEQKS-QMMMGPOBSA-N -1 0 315.413 -0.160 20 0 DBADRM O=C([C@H]1CCCOC1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980828362 665803928 /nfs/dbraw/zinc/80/39/28/665803928.db2.gz QLGWIMDWTUHCRK-NSHDSACASA-N -1 0 309.370 -0.029 20 0 DBADRM Cc1cc(CC(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)[nH]n1 ZINC000980952202 665813036 /nfs/dbraw/zinc/81/30/36/665813036.db2.gz WZYRYUYHWVCDFE-UHFFFAOYSA-N -1 0 319.369 -0.181 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN(CC(=O)N3CCC3)CC2)c1[O-] ZINC000980981971 665815133 /nfs/dbraw/zinc/81/51/33/665815133.db2.gz QBZUCLVHWXPNHA-UHFFFAOYSA-N -1 0 321.381 -0.196 20 0 DBADRM Cc1cn(C)nc1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981138711 665823726 /nfs/dbraw/zinc/82/37/26/665823726.db2.gz ZODDVCOEGRRHIF-UHFFFAOYSA-N -1 0 319.369 -0.100 20 0 DBADRM O=C(Cc1cncnc1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981060262 665818243 /nfs/dbraw/zinc/81/82/43/665818243.db2.gz WHUXURGXHFTUSY-UHFFFAOYSA-N -1 0 317.353 -0.423 20 0 DBADRM Cc1n[nH]cc1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001028061961 665831676 /nfs/dbraw/zinc/83/16/76/665831676.db2.gz JHBZXYTUBPKRGY-SECBINFHSA-N -1 0 305.342 -0.064 20 0 DBADRM O=C([C@@H]1CCCNC1=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981391977 665848425 /nfs/dbraw/zinc/84/84/25/665848425.db2.gz ZBAIAJAWTBLQII-SNVBAGLBSA-N -1 0 322.369 -0.929 20 0 DBADRM C[C@H]1C[C@@H](C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)CO1 ZINC000981491739 665853356 /nfs/dbraw/zinc/85/33/56/665853356.db2.gz UIRAHDQIQWWLFK-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001028092701 665850933 /nfs/dbraw/zinc/85/09/33/665850933.db2.gz CIWWVUVETAVVHU-VHSXEESVSA-N -1 0 322.369 -0.788 20 0 DBADRM CO[C@H](C)C(=O)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC000981652252 665863086 /nfs/dbraw/zinc/86/30/86/665863086.db2.gz WUZQBXZDEUYINM-SNVBAGLBSA-N -1 0 309.370 -0.030 20 0 DBADRM CCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000981875004 665887789 /nfs/dbraw/zinc/88/77/89/665887789.db2.gz LPWUHKOPTXUPES-VHSXEESVSA-N -1 0 322.365 -0.089 20 0 DBADRM O=C(CCc1cn[nH]n1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981990900 665899627 /nfs/dbraw/zinc/89/96/27/665899627.db2.gz YPWNKJQTTLTLTQ-UHFFFAOYSA-N -1 0 320.357 -0.705 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1ccncn1 ZINC001028214285 665910289 /nfs/dbraw/zinc/91/02/89/665910289.db2.gz VBJWZHHFGMWAME-SECBINFHSA-N -1 0 303.326 -0.305 20 0 DBADRM Cc1ccnn1CC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000982052284 665910840 /nfs/dbraw/zinc/91/08/40/665910840.db2.gz YPBUYNAUWBVWNQ-UHFFFAOYSA-N -1 0 319.369 -0.250 20 0 DBADRM CO[C@H](C)C(=O)N1CC[C@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC000936809068 665937611 /nfs/dbraw/zinc/93/76/11/665937611.db2.gz GJUMIIMKVHNADS-ZJUUUORDSA-N -1 0 308.338 -0.110 20 0 DBADRM CO[C@@H](C)C(=O)N1CC[C@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC000936809066 665937759 /nfs/dbraw/zinc/93/77/59/665937759.db2.gz GJUMIIMKVHNADS-UWVGGRQHSA-N -1 0 308.338 -0.110 20 0 DBADRM O=C(NC[C@@H]1CCN(C(=O)C2CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000982329543 665961179 /nfs/dbraw/zinc/96/11/79/665961179.db2.gz WASZGQCHNMTXSV-QMMMGPOBSA-N -1 0 321.337 -0.339 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)CC[C@@H]2CCCO2)CC1=O ZINC000893713497 665962434 /nfs/dbraw/zinc/96/24/34/665962434.db2.gz PHVUQBZNHIFWJA-MNOVXSKESA-N -1 0 318.395 -0.130 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2CC(=O)NC2CC2)c1[O-] ZINC001038166059 663794855 /nfs/dbraw/zinc/79/48/55/663794855.db2.gz VRUIMGJCGKVXPQ-SNVBAGLBSA-N -1 0 307.354 -0.494 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001020445967 663810995 /nfs/dbraw/zinc/81/09/95/663810995.db2.gz HJNPRQZCXAUOTP-RGOKHQFPSA-N -1 0 323.353 -0.549 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001020445968 663811374 /nfs/dbraw/zinc/81/13/74/663811374.db2.gz HJNPRQZCXAUOTP-XKNYDFJKSA-N -1 0 323.353 -0.549 20 0 DBADRM NC(=O)c1cc(C(=O)N2CC[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC000969450870 663835044 /nfs/dbraw/zinc/83/50/44/663835044.db2.gz FELYAUXYVMTYOZ-MRVPVSSYSA-N -1 0 320.309 -0.794 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(Cc3ncnn3C)C2)c1[O-] ZINC000969507227 663839018 /nfs/dbraw/zinc/83/90/18/663839018.db2.gz ZGQUCWSVCDHFKM-QMMMGPOBSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(Cc3cn(C)nn3)C2)c1[O-] ZINC000969505589 663839101 /nfs/dbraw/zinc/83/91/01/663839101.db2.gz COGSLZPDWMFXSN-QMMMGPOBSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN([C@H](C)C(=O)N(C)C)C2)c1[O-] ZINC000969500040 663839116 /nfs/dbraw/zinc/83/91/16/663839116.db2.gz FXSNAYMTJYXMBN-PSASIEDQSA-N -1 0 323.397 -0.049 20 0 DBADRM CCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000969510465 663839781 /nfs/dbraw/zinc/83/97/81/663839781.db2.gz NXMGAXQXJQSAAC-DTORHVGOSA-N -1 0 309.326 -0.699 20 0 DBADRM O=C(CC1=CCOCC1)N[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001020552065 663840766 /nfs/dbraw/zinc/84/07/66/663840766.db2.gz WXZKJYCKQGOYCA-XYPYZODXSA-N -1 0 307.354 -0.016 20 0 DBADRM CCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([O-])n(C)c1=O ZINC000969524960 663841376 /nfs/dbraw/zinc/84/13/76/663841376.db2.gz QRADATYOWPWGAU-AOOOYVTPSA-N -1 0 320.349 -0.289 20 0 DBADRM Cc1ccc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC000969655551 663854494 /nfs/dbraw/zinc/85/44/94/663854494.db2.gz XRLSBTZLWYQEPF-VIFPVBQESA-N -1 0 317.353 -0.141 20 0 DBADRM CC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001020781905 663904948 /nfs/dbraw/zinc/90/49/48/663904948.db2.gz VKDCZXYLBMCEQD-APPZFPTMSA-N -1 0 309.326 -0.483 20 0 DBADRM CCC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001020869721 663914722 /nfs/dbraw/zinc/91/47/22/663914722.db2.gz WYYFGYXNGARCIX-JGVFFNPUSA-N -1 0 307.310 -0.634 20 0 DBADRM CC(=O)N1CC[C@H]2CN(C(=O)c3c[n-]n4c3nccc4=O)C[C@H]21 ZINC001020875318 663915694 /nfs/dbraw/zinc/91/56/94/663915694.db2.gz AWJLJGNMJLBEMQ-CMPLNLGQSA-N -1 0 315.333 -0.285 20 0 DBADRM CCn1cc(C(=O)[N-]S(=O)(=O)CCC(=O)OC)c(C)n1 ZINC000860758182 663922026 /nfs/dbraw/zinc/92/20/26/663922026.db2.gz HSHMTJNKUGZXMI-UHFFFAOYSA-N -1 0 303.340 -0.166 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000804774778 663930505 /nfs/dbraw/zinc/93/05/05/663930505.db2.gz SWACWXGKVTUCGD-GHMZBOCLSA-N -1 0 319.427 -0.377 20 0 DBADRM C[C@@H](NC(=O)c1cnco1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000970232488 663950409 /nfs/dbraw/zinc/95/04/09/663950409.db2.gz UQSOHCMKKYAPBC-MRVPVSSYSA-N -1 0 306.326 -0.653 20 0 DBADRM NC(=O)CC(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3O)[C@@H]2C1 ZINC001021112708 663950756 /nfs/dbraw/zinc/95/07/56/663950756.db2.gz MRTFILQQLMVJDR-CMPLNLGQSA-N -1 0 317.345 -0.060 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970278056 663959144 /nfs/dbraw/zinc/95/91/44/663959144.db2.gz SAXRELFCZPPMGG-SCZZXKLOSA-N -1 0 322.369 -0.932 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN([C@@H]3CCN(C)C3=O)C2)c1[O-] ZINC001010642596 663965486 /nfs/dbraw/zinc/96/54/86/663965486.db2.gz SWJYBRAKUHMDNP-VHSXEESVSA-N -1 0 307.354 -0.541 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN([C@H]3CCN(C)C3=O)C2)c1[O-] ZINC001010642593 663965612 /nfs/dbraw/zinc/96/56/12/663965612.db2.gz SWJYBRAKUHMDNP-UWVGGRQHSA-N -1 0 307.354 -0.541 20 0 DBADRM C[C@@H](NC(=O)c1csc(=O)[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970309139 663967179 /nfs/dbraw/zinc/96/71/79/663967179.db2.gz JBCVSBNCQXCYBV-ZCFIWIBFSA-N -1 0 324.366 -0.077 20 0 DBADRM C[C@@H](NC(=O)[C@H]1OCC[C@H]1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970440484 663989295 /nfs/dbraw/zinc/98/92/95/663989295.db2.gz AGKOSTJDTFSZKR-LNLATYFQSA-N -1 0 309.370 -0.128 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](NCc2cscn2)C1 ZINC000970583828 664012100 /nfs/dbraw/zinc/01/21/00/664012100.db2.gz KYJDKJSCIPQCTD-MRVPVSSYSA-N -1 0 324.366 -0.464 20 0 DBADRM Cc1ccn(C)c1C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[nH]1 ZINC001038190946 664013696 /nfs/dbraw/zinc/01/36/96/664013696.db2.gz NGGMIZORVHVLRL-LLVKDONJSA-N -1 0 318.381 -0.240 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCOC[C@H]2[C@H]2CCCO2)n1 ZINC000909856348 674581256 /nfs/dbraw/zinc/58/12/56/674581256.db2.gz RJCSJNSAKUAOBA-NWDGAFQWSA-N -1 0 309.322 -0.012 20 0 DBADRM COCC(=O)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CC[C@H]21 ZINC001021481966 664047346 /nfs/dbraw/zinc/04/73/46/664047346.db2.gz KWBWGANWZMOPGU-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cn1 ZINC000909903774 674585212 /nfs/dbraw/zinc/58/52/12/674585212.db2.gz SEXIOVOEAZAIHH-YNEHKIRRSA-N -1 0 307.350 -0.107 20 0 DBADRM NC(=O)CC(=O)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CC[C@@H]21 ZINC001021547709 664060287 /nfs/dbraw/zinc/06/02/87/664060287.db2.gz JJWNKESXWUGGPW-UWVGGRQHSA-N -1 0 322.369 -0.801 20 0 DBADRM Cc1nccc(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000970895616 664071415 /nfs/dbraw/zinc/07/14/15/664071415.db2.gz PKJDNDZQIJCYKD-MRVPVSSYSA-N -1 0 317.353 -0.141 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC000970993662 664089770 /nfs/dbraw/zinc/08/97/70/664089770.db2.gz KIQJNCGBSUMGBJ-SECBINFHSA-N -1 0 303.326 -0.353 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000909958285 674588002 /nfs/dbraw/zinc/58/80/02/674588002.db2.gz FLPAKVJXBSHKCE-VIFPVBQESA-N -1 0 307.372 -0.952 20 0 DBADRM Cc1c(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC000971083228 664106251 /nfs/dbraw/zinc/10/62/51/664106251.db2.gz KHCPWUOJFQPLNE-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000909990690 674589883 /nfs/dbraw/zinc/58/98/83/674589883.db2.gz MTEJKTACINTEIC-DTORHVGOSA-N -1 0 307.372 -0.954 20 0 DBADRM Cn1cc(/C=C/C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cn1 ZINC000317470083 664113023 /nfs/dbraw/zinc/11/30/23/664113023.db2.gz PVOCWUOSGCJBQW-NSCUHMNNSA-N -1 0 302.294 -0.194 20 0 DBADRM Cc1cnn(CC(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC000971163097 664118299 /nfs/dbraw/zinc/11/82/99/664118299.db2.gz SFAZJKINDWTHLC-LLVKDONJSA-N -1 0 319.369 -0.252 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C1CCC(O)CC1 ZINC001038207561 664120058 /nfs/dbraw/zinc/12/00/58/664120058.db2.gz IGJIGWXSNBHIGE-YVNMAJEFSA-N -1 0 309.370 -0.248 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)Cc2ccon2)C1 ZINC000971242711 664128377 /nfs/dbraw/zinc/12/83/77/664128377.db2.gz SCOVEGITTLDMJH-JTQLQIEISA-N -1 0 306.326 -0.226 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000910046852 674592278 /nfs/dbraw/zinc/59/22/78/674592278.db2.gz TVXVVWIFTWDIQL-SNVBAGLBSA-N -1 0 321.399 -0.420 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000910046850 674592421 /nfs/dbraw/zinc/59/24/21/674592421.db2.gz TVXVVWIFTWDIQL-JTQLQIEISA-N -1 0 321.399 -0.420 20 0 DBADRM C[C@](O)(CNC(=O)Cn1cnc2sccc2c1=O)C(=O)[O-] ZINC000090274638 664140730 /nfs/dbraw/zinc/14/07/30/664140730.db2.gz VZFPPCPCDQMKSZ-LBPRGKRZSA-N -1 0 311.319 -0.590 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC000971335853 664143593 /nfs/dbraw/zinc/14/35/93/664143593.db2.gz XPPXPNUPPLJKTA-JTQLQIEISA-N -1 0 318.337 -0.043 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccncc3F)C2)nc1=O ZINC001021921903 664171117 /nfs/dbraw/zinc/17/11/17/664171117.db2.gz LIJGWGNYDUKVOI-DTORHVGOSA-N -1 0 320.328 -0.307 20 0 DBADRM CO[C@H](C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC000971443717 664174780 /nfs/dbraw/zinc/17/47/80/664174780.db2.gz VWWSCJJMFRBKKN-JQWIXIFHSA-N -1 0 309.370 -0.032 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000650428976 664188398 /nfs/dbraw/zinc/18/83/98/664188398.db2.gz YINFCKBIFZOKMR-IVZWLZJFSA-N -1 0 315.351 -0.431 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)Cc3nnc[nH]3)CC2)c1[O-] ZINC001011007249 664189275 /nfs/dbraw/zinc/18/92/75/664189275.db2.gz DIWHQERTZLLHBS-UHFFFAOYSA-N -1 0 319.325 -0.931 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@H]1CCN(c2ccccc2F)C1 ZINC000910333919 674602086 /nfs/dbraw/zinc/60/20/86/674602086.db2.gz ILQLAVKTCOJURJ-JTQLQIEISA-N -1 0 323.324 -0.031 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)CC2 ZINC000910227099 674598307 /nfs/dbraw/zinc/59/83/07/674598307.db2.gz DLBJXHWMHKXRPI-IEBDPFPHSA-N -1 0 308.338 -0.151 20 0 DBADRM CCn1nncc1C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000971497242 664195318 /nfs/dbraw/zinc/19/53/18/664195318.db2.gz TWLVFJZUZKEHOL-SECBINFHSA-N -1 0 320.357 -0.532 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H](O)C2CCOCC2)[C@](C)(C(=O)[O-])C1 ZINC000910264515 674600260 /nfs/dbraw/zinc/60/02/60/674600260.db2.gz LFKKJIWQKQRZSX-MJVIPROJSA-N -1 0 301.339 -0.136 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)N1CCO[C@@](C)(C(=O)[O-])C1 ZINC000910329341 674602631 /nfs/dbraw/zinc/60/26/31/674602631.db2.gz YYQILYQQHLZEQV-CQSZACIVSA-N -1 0 308.338 -0.063 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1 ZINC000924052871 664245996 /nfs/dbraw/zinc/24/59/96/664245996.db2.gz PKHGSRMGXARUBM-AYGWYOGXSA-N -1 0 315.370 -0.064 20 0 DBADRM COC1CC(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC000971750885 664249930 /nfs/dbraw/zinc/24/99/30/664249930.db2.gz VBGURSUVQWOPAL-YVNMAJEFSA-N -1 0 309.370 -0.032 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2cccnc2=O)C[C@H]1C(F)(F)F ZINC000910394167 674603981 /nfs/dbraw/zinc/60/39/81/674603981.db2.gz LNXLEJVEKFTJRK-HTQZYQBOSA-N -1 0 319.239 -0.035 20 0 DBADRM Cc1noc(CN[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001022370022 664268405 /nfs/dbraw/zinc/26/84/05/664268405.db2.gz SBSIRSLCCWFMAX-KNVOCYPGSA-N -1 0 321.297 -0.975 20 0 DBADRM CN(Cc1cnon1)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000971870830 664282767 /nfs/dbraw/zinc/28/27/67/664282767.db2.gz VDNPSLKKHVJRPU-MRVPVSSYSA-N -1 0 321.297 -0.988 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2ncn(C)n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947283070 664290482 /nfs/dbraw/zinc/29/04/82/664290482.db2.gz SIMDZDXROLQJHQ-BDAKNGLRSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2ncn(C)n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947283073 664291218 /nfs/dbraw/zinc/29/12/18/664291218.db2.gz SIMDZDXROLQJHQ-RKDXNWHRSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947484365 664292554 /nfs/dbraw/zinc/29/25/54/664292554.db2.gz LCKVIXAVVLJIPC-YUMQZZPRSA-N -1 0 306.330 -0.589 20 0 DBADRM C[C@]1(C(=O)[O-])CN(c2cc(N3CCOCC3)ncn2)CCO1 ZINC000910478916 674610538 /nfs/dbraw/zinc/61/05/38/674610538.db2.gz GXWCFAZNYGZXBP-CQSZACIVSA-N -1 0 308.338 -0.007 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000910480404 674610920 /nfs/dbraw/zinc/61/09/20/674610920.db2.gz QTNXVZKWZXLVJG-CQSZACIVSA-N -1 0 308.338 -0.007 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nccc(N3CCOCC3)n2)C1 ZINC000910480934 674611421 /nfs/dbraw/zinc/61/14/21/674611421.db2.gz VPMWCXVDIUJBTE-CQSZACIVSA-N -1 0 308.338 -0.007 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000044614394 664342122 /nfs/dbraw/zinc/34/21/22/664342122.db2.gz NHWIAIBWISJFAG-UWVGGRQHSA-N -1 0 306.384 -0.020 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000910496677 674614344 /nfs/dbraw/zinc/61/43/44/674614344.db2.gz YTDJGRHNSOXIGR-BWZBUEFSSA-N -1 0 308.306 -0.010 20 0 DBADRM C[C@@H]1CSCCCN1C(=O)C(=O)NCCOCC(=O)[O-] ZINC000910497487 674614597 /nfs/dbraw/zinc/61/45/97/674614597.db2.gz XGJQVIJUDSOFSL-SECBINFHSA-N -1 0 304.368 -0.442 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1C(=O)[O-] ZINC000910498427 674614603 /nfs/dbraw/zinc/61/46/03/674614603.db2.gz VVICFHQGOMCDLK-DDPKUIBDSA-N -1 0 322.361 -0.152 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000910496683 674614647 /nfs/dbraw/zinc/61/46/47/674614647.db2.gz YTDJGRHNSOXIGR-GJMOJQLCSA-N -1 0 308.306 -0.010 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000910530123 674615000 /nfs/dbraw/zinc/61/50/00/674615000.db2.gz KRIYQRXIBKDIAR-PELKAZGASA-N -1 0 302.352 -0.654 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@]3(C2)CN(CCCO)CCO3)c1[O-] ZINC000972341393 664370389 /nfs/dbraw/zinc/37/03/89/664370389.db2.gz CCUZVJQXOAFCGC-HNNXBMFYSA-N -1 0 324.381 -0.277 20 0 DBADRM COCCN1CCO[C@]2(CCN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC000972342465 664371382 /nfs/dbraw/zinc/37/13/82/664371382.db2.gz LBXIQPUXPWTAGA-OAHLLOKOSA-N -1 0 324.381 -0.013 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@]3(C2)CN(C[C@H](C)O)CCO3)c1[O-] ZINC000972347004 664371608 /nfs/dbraw/zinc/37/16/08/664371608.db2.gz QXGRLXIUFLRWHA-ZUZCIYMTSA-N -1 0 324.381 -0.279 20 0 DBADRM Cc1ccn(CC(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000972362672 664375650 /nfs/dbraw/zinc/37/56/50/664375650.db2.gz PNOPFRCNGARBGI-NSHDSACASA-N -1 0 319.369 -0.252 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)O[C@H]1C(=O)[O-] ZINC000910533850 674616294 /nfs/dbraw/zinc/61/62/94/674616294.db2.gz OOUQVHDLHNSCAX-UORFTKCHSA-N -1 0 310.350 -0.008 20 0 DBADRM O=C(N[C@@H]1CN(C(=O)c2c(F)cncc2F)C[C@H]1O)C(F)F ZINC001022860474 664386620 /nfs/dbraw/zinc/38/66/20/664386620.db2.gz WOEAKNLDTNXEKI-HTQZYQBOSA-N -1 0 321.230 -0.074 20 0 DBADRM COc1cccc(C(=O)N[N-]C(=O)c2nccnc2N)c1O ZINC000054144622 664390208 /nfs/dbraw/zinc/39/02/08/664390208.db2.gz KZWZUTLUYSSZQW-UHFFFAOYSA-N -1 0 303.278 -0.152 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000972430000 664400770 /nfs/dbraw/zinc/40/07/70/664400770.db2.gz XANSLVDWWYFISM-SNVBAGLBSA-N -1 0 305.342 -0.491 20 0 DBADRM O=C(N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O)c1ccccc1O ZINC001023079742 664438294 /nfs/dbraw/zinc/43/82/94/664438294.db2.gz ARRAUFFQHXEYMS-ZYHUDNBSSA-N -1 0 316.317 -0.269 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC000972535117 664476886 /nfs/dbraw/zinc/47/68/86/664476886.db2.gz XNDDCOZLIRETHU-NXEZZACHSA-N -1 0 322.369 -0.788 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC000972535120 664476994 /nfs/dbraw/zinc/47/69/94/664476994.db2.gz XNDDCOZLIRETHU-VHSXEESVSA-N -1 0 322.369 -0.788 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000910755911 674640469 /nfs/dbraw/zinc/64/04/69/674640469.db2.gz PZACDIHWYGAVGR-MRBYEJRBSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)COCC(F)(F)F ZINC000910759052 674641133 /nfs/dbraw/zinc/64/11/33/674641133.db2.gz GARTWDHXPPYKJV-SSDOTTSWSA-N -1 0 312.244 -0.243 20 0 DBADRM CON1CCC(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])CC1 ZINC000910759946 674641151 /nfs/dbraw/zinc/64/11/51/674641151.db2.gz NSJNZDFQGFKBBD-LLVKDONJSA-N -1 0 313.354 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C(C)C)[C@@H](O)C2)c1[O-] ZINC000991289609 674650412 /nfs/dbraw/zinc/65/04/12/674650412.db2.gz DGBXIOPQZVFFGC-ZJUUUORDSA-N -1 0 310.354 -0.229 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1 ZINC000910802161 674646032 /nfs/dbraw/zinc/64/60/32/674646032.db2.gz XLRBKYMUQGBXCB-UKKRHICBSA-N -1 0 316.379 -0.553 20 0 DBADRM O=C(NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCOC1 ZINC001023263934 664812023 /nfs/dbraw/zinc/81/20/23/664812023.db2.gz DRZPRJYSCZOMLF-MNOVXSKESA-N -1 0 309.370 -0.125 20 0 DBADRM O=C(NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCOC1 ZINC001023263936 664812300 /nfs/dbraw/zinc/81/23/00/664812300.db2.gz DRZPRJYSCZOMLF-QWRGUYRKSA-N -1 0 309.370 -0.125 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC3CCC3)C[C@H]2O)c1[O-] ZINC001023413427 664824527 /nfs/dbraw/zinc/82/45/27/664824527.db2.gz JDFZHYYLBPIXKR-GHMZBOCLSA-N -1 0 322.365 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@H]2O)c1[O-] ZINC001023422525 664825255 /nfs/dbraw/zinc/82/52/55/664825255.db2.gz MUTCSYUGYIWDLB-HTQZYQBOSA-N -1 0 321.293 -0.973 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC34CC4)C[C@H]2O)c1[O-] ZINC001023421189 664825469 /nfs/dbraw/zinc/82/54/69/664825469.db2.gz XGCHVBBXUNWMLE-IVZWLZJFSA-N -1 0 320.349 -0.475 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)C[C@H]2O)c1[O-] ZINC001023423014 664825600 /nfs/dbraw/zinc/82/56/00/664825600.db2.gz UJELWBSXBWDVGP-BEYHFKMWSA-N -1 0 308.338 -0.619 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)C[C@H]2O)c1[O-] ZINC001023423015 664825796 /nfs/dbraw/zinc/82/57/96/664825796.db2.gz UJELWBSXBWDVGP-PEBGCTIMSA-N -1 0 308.338 -0.619 20 0 DBADRM Cc1ccn2cc(C(=O)[N-]NC(=O)C(=O)NC(C)C)nc2c1 ZINC000052854176 664840320 /nfs/dbraw/zinc/84/03/20/664840320.db2.gz JVSSQEBZFKKKME-UHFFFAOYSA-N -1 0 303.322 -0.072 20 0 DBADRM CCC(CC)(CNC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)[O-] ZINC000262382415 664844247 /nfs/dbraw/zinc/84/42/47/664844247.db2.gz YXDPPNQMJCQRBR-UHFFFAOYSA-N -1 0 311.338 -0.446 20 0 DBADRM O=C(NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnon1 ZINC001023660984 664848273 /nfs/dbraw/zinc/84/82/73/664848273.db2.gz PNXCINPLCDVUMO-MRVPVSSYSA-N -1 0 307.314 -0.465 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)N(C)CC)C1 ZINC000744241604 664852278 /nfs/dbraw/zinc/85/22/78/664852278.db2.gz KROXVIVJYODKAN-SNVBAGLBSA-N -1 0 305.400 -0.052 20 0 DBADRM C[C@](O)(CNC(=O)c1cn(Cc2cccs2)nn1)C(=O)[O-] ZINC000262533362 664854225 /nfs/dbraw/zinc/85/42/25/664854225.db2.gz PZZDTQJJZZGKKB-LBPRGKRZSA-N -1 0 310.335 -0.047 20 0 DBADRM COC1CCN(S(=O)(=O)N2CC[C@](OC)(C(=O)[O-])C2)CC1 ZINC000926583215 664854617 /nfs/dbraw/zinc/85/46/17/664854617.db2.gz FJQSYQISZRRQJK-GFCCVEGCSA-N -1 0 322.383 -0.483 20 0 DBADRM Cn1ccc(C(=O)NC[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001023748427 664855111 /nfs/dbraw/zinc/85/51/11/664855111.db2.gz VELFYGLDTNSGSR-SNVBAGLBSA-N -1 0 319.369 -0.114 20 0 DBADRM N#Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1F ZINC000291897780 664867928 /nfs/dbraw/zinc/86/79/28/664867928.db2.gz PZCWFXNOEXEMJE-KCJUWKMLSA-N -1 0 314.294 -0.094 20 0 DBADRM CO[C@@]1(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)CCSC1 ZINC000892428278 664876566 /nfs/dbraw/zinc/87/65/66/664876566.db2.gz WJWVEBJNARKXND-JTQLQIEISA-N -1 0 305.381 -0.253 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC000972863131 664877763 /nfs/dbraw/zinc/87/77/63/664877763.db2.gz WYVURZCMWIUSTP-BDAKNGLRSA-N -1 0 322.369 -0.885 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)[C@H]1CCOC1 ZINC000972847317 664877997 /nfs/dbraw/zinc/87/79/97/664877997.db2.gz VWEAIYHXWXXMMN-UWVGGRQHSA-N -1 0 309.370 -0.127 20 0 DBADRM CCC(=O)N[C@H]1C[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000972864532 664879117 /nfs/dbraw/zinc/87/91/17/664879117.db2.gz FJILVILTJQEKQS-KYZUINATSA-N -1 0 318.337 -0.755 20 0 DBADRM CNC(=O)CN1CCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001024395755 664886913 /nfs/dbraw/zinc/88/69/13/664886913.db2.gz HFCNYPMXAAKNHA-SNVBAGLBSA-N -1 0 309.370 -0.246 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C1CCC1 ZINC001011363910 664889936 /nfs/dbraw/zinc/88/99/36/664889936.db2.gz KEZXWVYLGOPXNG-IONNQARKSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000972924514 664894096 /nfs/dbraw/zinc/89/40/96/664894096.db2.gz QEAYKWPJGLPNPQ-XSPKLOCKSA-N -1 0 309.326 -0.891 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3cnn(C)c3)C2)c1[O-] ZINC000972952979 664919870 /nfs/dbraw/zinc/91/98/70/664919870.db2.gz GWKFFJKWXJVEOU-MGCOHNPYSA-N -1 0 318.337 -0.152 20 0 DBADRM Cc1nonc1C(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001024826827 664920651 /nfs/dbraw/zinc/92/06/51/664920651.db2.gz ZUKJTNICLZPRSX-VIFPVBQESA-N -1 0 321.341 -0.014 20 0 DBADRM Cn1cnc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CC2(C)C)c1 ZINC000973034932 664949382 /nfs/dbraw/zinc/94/93/82/664949382.db2.gz VDGFUYCQXUEZOX-SNVBAGLBSA-N -1 0 319.369 -0.116 20 0 DBADRM CNC(=O)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C(C)(C)C1 ZINC000973044462 664952761 /nfs/dbraw/zinc/95/27/61/664952761.db2.gz UNOLYMHJMQRHPE-SECBINFHSA-N -1 0 309.370 -0.390 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C2CCC2)C1 ZINC001006494553 664963798 /nfs/dbraw/zinc/96/37/98/664963798.db2.gz PRICGBBNCUAGDY-SSDOTTSWSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3ccnn3C)C2)c1[O-] ZINC000973084089 664967043 /nfs/dbraw/zinc/96/70/43/664967043.db2.gz ACSWTWSBYOFCIE-KYZUINATSA-N -1 0 318.337 -0.152 20 0 DBADRM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000973138075 664993973 /nfs/dbraw/zinc/99/39/73/664993973.db2.gz ONETVVLTKIKHLJ-HGNGGELXSA-N -1 0 323.353 -0.501 20 0 DBADRM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000973138076 664994098 /nfs/dbraw/zinc/99/40/98/664994098.db2.gz ONETVVLTKIKHLJ-SZEHBUNVSA-N -1 0 323.353 -0.501 20 0 DBADRM CC(=O)N1CC[C@@H](C)[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001018451302 665006881 /nfs/dbraw/zinc/00/68/81/665006881.db2.gz SSKVOOCFHGANLI-APPZFPTMSA-N -1 0 309.326 -0.483 20 0 DBADRM COC[C@@H](C)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000911072344 674675156 /nfs/dbraw/zinc/67/51/56/674675156.db2.gz JGQDQZCFKPLZEQ-ZMLRMANQSA-N -1 0 312.366 -0.046 20 0 DBADRM CC1(C(=O)N[C@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000973357410 665026379 /nfs/dbraw/zinc/02/63/79/665026379.db2.gz IEGKZJQSSSRLAC-ZKCHVHJHSA-N -1 0 309.326 -0.747 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC000973491293 665041637 /nfs/dbraw/zinc/04/16/37/665041637.db2.gz UCNXWPZCDBOIDZ-IWSPIJDZSA-N -1 0 321.337 -0.747 20 0 DBADRM CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000973556013 665051677 /nfs/dbraw/zinc/05/16/77/665051677.db2.gz QQWSRVQNKRWENC-CBLAIPOGSA-N -1 0 321.337 -0.055 20 0 DBADRM CC(=O)N1CCC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@@H]21 ZINC000973693423 665058776 /nfs/dbraw/zinc/05/87/76/665058776.db2.gz IDCVPYGDMDWTDM-UWVGGRQHSA-N -1 0 321.337 -0.244 20 0 DBADRM CC1(C)CO[C@H](CC(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000892745470 665061692 /nfs/dbraw/zinc/06/16/92/665061692.db2.gz YOHCMVYKBVZKPF-SNVBAGLBSA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@H](NC(=O)c1cnon1)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001025571145 665064586 /nfs/dbraw/zinc/06/45/86/665064586.db2.gz LXKZVEDKSFKIIY-IUCAKERBSA-N -1 0 321.341 -0.076 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCN(C(=O)C(F)F)C1 ZINC000936318653 665068394 /nfs/dbraw/zinc/06/83/94/665068394.db2.gz WZJSBIXMPNOLOZ-LURJTMIESA-N -1 0 319.268 -0.986 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCN(C(=O)C2CCC2)C1 ZINC000936329920 665071970 /nfs/dbraw/zinc/07/19/70/665071970.db2.gz JFJHFSFOYFJZQD-JTQLQIEISA-N -1 0 323.353 -0.451 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCN(C(=O)C2CCC2)C1 ZINC000936330549 665072597 /nfs/dbraw/zinc/07/25/97/665072597.db2.gz VHHRHFHGWJRBTL-SECBINFHSA-N -1 0 321.337 -0.244 20 0 DBADRM CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973744125 665076447 /nfs/dbraw/zinc/07/64/47/665076447.db2.gz VAJRJSZRWVHWPS-ZJUUUORDSA-N -1 0 321.337 -0.244 20 0 DBADRM N#Cc1cncc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC000314124129 665081745 /nfs/dbraw/zinc/08/17/45/665081745.db2.gz GOJKLEOPWXJPLP-SNVBAGLBSA-N -1 0 311.319 -0.183 20 0 DBADRM COC1CC(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1 ZINC001025816058 665091043 /nfs/dbraw/zinc/09/10/43/665091043.db2.gz BINTZUWNPNTEAW-AFQTVFIFSA-N -1 0 307.354 -0.518 20 0 DBADRM CC(=O)N[C@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C12CCC2 ZINC001025842731 665092725 /nfs/dbraw/zinc/09/27/25/665092725.db2.gz UWTZGELIJXSSQP-WDEREUQCSA-N -1 0 320.349 -0.337 20 0 DBADRM CCc1nn(C)cc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001020269629 665108163 /nfs/dbraw/zinc/10/81/63/665108163.db2.gz FMPMHGNEBSHLLU-KYZUINATSA-N -1 0 319.369 -0.143 20 0 DBADRM C[C@@H]1OCC[C@@]1(C)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001025925231 665112747 /nfs/dbraw/zinc/11/27/47/665112747.db2.gz XHYMNMGTRMDWKE-BCLHGEQCSA-N -1 0 321.381 -0.128 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cc(C)co2)CC1 ZINC000893068346 665116251 /nfs/dbraw/zinc/11/62/51/665116251.db2.gz OQPIUEVTKMEVLC-UHFFFAOYSA-N -1 0 315.351 -0.273 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C2(C3CC3)CC2)CC1 ZINC000893068234 665116312 /nfs/dbraw/zinc/11/63/12/665116312.db2.gz NKQFBGSIEQBTDR-UHFFFAOYSA-N -1 0 315.395 -0.298 20 0 DBADRM CCCNC(=O)CNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013198175 665118844 /nfs/dbraw/zinc/11/88/44/665118844.db2.gz SLJLRMVAVFEKFI-UHFFFAOYSA-N -1 0 316.335 -0.105 20 0 DBADRM C[C@@H]1COCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001026020954 665119971 /nfs/dbraw/zinc/11/99/71/665119971.db2.gz AWEKIEIOPJHYDU-YFVNTRNASA-N -1 0 321.381 -0.271 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cc2n(n1)CCO2 ZINC001038348671 665120868 /nfs/dbraw/zinc/12/08/68/665120868.db2.gz FGMUSLKXWWINCP-QMMMGPOBSA-N -1 0 319.325 -0.897 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@@H](OC)c1ccccc1 ZINC000295134428 665124324 /nfs/dbraw/zinc/12/43/24/665124324.db2.gz KDTLWUXILXJYHL-VXGBXAGGSA-N -1 0 317.363 -0.173 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@@H]1C[C@@]12CCOC2 ZINC001026136498 665126730 /nfs/dbraw/zinc/12/67/30/665126730.db2.gz CWWNLCKDXGPZAO-GYNNRVIJSA-N -1 0 319.365 -0.517 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)C3=COCCO3)C2)c1[O-] ZINC000973831157 665131147 /nfs/dbraw/zinc/13/11/47/665131147.db2.gz AWFKZGREIQABFP-DTORHVGOSA-N -1 0 322.321 -0.311 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(C(=O)CC2CC2)C1 ZINC000936366333 665137812 /nfs/dbraw/zinc/13/78/12/665137812.db2.gz BUINGUZGKVEPQU-SNVBAGLBSA-N -1 0 323.353 -0.451 20 0 DBADRM O=C(CCn1cnccc1=O)[N-]S(=O)(=O)C1(Cl)CC1 ZINC000893234072 665154147 /nfs/dbraw/zinc/15/41/47/665154147.db2.gz BYPXSASHJGMZLI-UHFFFAOYSA-N -1 0 305.743 -0.192 20 0 DBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)C2(Cl)CC2)CC1=O ZINC000893241894 665157021 /nfs/dbraw/zinc/15/70/21/665157021.db2.gz JZBZGPWEUYPDLG-QMMMGPOBSA-N -1 0 324.786 -0.344 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)c1[O-] ZINC000974026013 665157228 /nfs/dbraw/zinc/15/72/28/665157228.db2.gz MODDMCOWYPJUCV-KNVOCYPGSA-N -1 0 305.298 -0.767 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3csnn3)C2)c1[O-] ZINC000974033334 665158461 /nfs/dbraw/zinc/15/84/61/665158461.db2.gz SLQYWAYPYVCPAT-KNVOCYPGSA-N -1 0 322.350 -0.034 20 0 DBADRM CCn1nccc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000974064988 665163291 /nfs/dbraw/zinc/16/32/91/665163291.db2.gz BVMWVVJMQOFHSD-DTORHVGOSA-N -1 0 303.326 -0.288 20 0 DBADRM COC1(C(=O)[O-])CCN(S(=O)(=O)c2c[nH]nc2C)CC1 ZINC000312287675 665177082 /nfs/dbraw/zinc/17/70/82/665177082.db2.gz UAHZRXIYKFJQPP-UHFFFAOYSA-N -1 0 303.340 -0.028 20 0 DBADRM CCCC(=O)N1CC[C@@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000936410196 665192159 /nfs/dbraw/zinc/19/21/59/665192159.db2.gz VLMVQYOONUEGTA-SECBINFHSA-N -1 0 311.342 -0.451 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000974336204 665193460 /nfs/dbraw/zinc/19/34/60/665193460.db2.gz SPZIVCSOVJEKSK-XAVMHZPKSA-N -1 0 321.337 -0.294 20 0 DBADRM CC1(C)CN(C(=O)C2CC2)C[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001008393789 665199844 /nfs/dbraw/zinc/19/98/44/665199844.db2.gz HUGQXQZSGPCWGC-VIFPVBQESA-N -1 0 323.353 -0.548 20 0 DBADRM O=C([O-])C1(C(=O)N(CCO)CCN2CCOCC2)CCCC1 ZINC000911239279 674693656 /nfs/dbraw/zinc/69/36/56/674693656.db2.gz HRWLTFJDCJMTHT-UHFFFAOYSA-N -1 0 314.382 -0.216 20 0 DBADRM COc1nc(C(=O)N2CC[C@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001026974501 665249796 /nfs/dbraw/zinc/24/97/96/665249796.db2.gz AQVBSMRDAMPHDT-MRVPVSSYSA-N -1 0 322.325 -0.241 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000974969895 665261902 /nfs/dbraw/zinc/26/19/02/665261902.db2.gz GSGIQEDCTUSJEY-KLBPJQLPSA-N -1 0 321.381 -0.271 20 0 DBADRM CCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[n-]n4c3nccc4=O)C[C@H]21 ZINC000976006974 665316537 /nfs/dbraw/zinc/31/65/37/665316537.db2.gz WTXYHAXIYZDKTD-IWIIMEHWSA-N -1 0 315.333 -0.381 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001006697208 665321035 /nfs/dbraw/zinc/32/10/35/665321035.db2.gz GPRDYGFFZGTQPK-JTQLQIEISA-N -1 0 305.342 -0.362 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)CC(C)(C)O)C[C@H]32)c1[O-] ZINC000976360178 665354100 /nfs/dbraw/zinc/35/41/00/665354100.db2.gz CRCUDXLQDQZNGM-JZYVYDRUSA-N -1 0 322.365 -0.229 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(C(=O)c3cc(Cl)no3)C[C@H]21)c1cn[nH]n1 ZINC000976810212 665395046 /nfs/dbraw/zinc/39/50/46/665395046.db2.gz JFPSTPUMABIBTG-KJXVDCTPSA-N -1 0 322.712 -0.054 20 0 DBADRM C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000976809773 665395350 /nfs/dbraw/zinc/39/53/50/665395350.db2.gz HOLHNEUZPKHJSU-KUNJHIDRSA-N -1 0 305.338 -0.584 20 0 DBADRM Cc1nocc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000976810987 665395357 /nfs/dbraw/zinc/39/53/57/665395357.db2.gz LGMSUXBLURYNOE-VROVMSAKSA-N -1 0 302.294 -0.398 20 0 DBADRM CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000911364215 674710195 /nfs/dbraw/zinc/71/01/95/674710195.db2.gz IMSHFPZOOWYMCK-FPMFFAJLSA-N -1 0 314.382 -0.097 20 0 DBADRM CCO[C@@H]1[C@H](C)[C@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000911364223 674710200 /nfs/dbraw/zinc/71/02/00/674710200.db2.gz IMSHFPZOOWYMCK-MRVWCRGKSA-N -1 0 314.382 -0.097 20 0 DBADRM C[C@H]1CO[C@@H](C(=O)N(CCN2CCOCC2)CC(=O)[O-])C1 ZINC000911366025 674714453 /nfs/dbraw/zinc/71/44/53/674714453.db2.gz REGFSZZMKVAWBS-VXGBXAGGSA-N -1 0 300.355 -0.343 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000911448320 674723908 /nfs/dbraw/zinc/72/39/08/674723908.db2.gz UKUYGPUYVBSVJL-JMCQJSRRSA-N -1 0 312.351 -0.225 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC000911595789 674741525 /nfs/dbraw/zinc/74/15/25/674741525.db2.gz ZXBSADNTQUWJJL-UHFFFAOYSA-N -1 0 322.365 -0.050 20 0 DBADRM CC(C)CN1C[C@H](C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])CC1=O ZINC000911641309 674742522 /nfs/dbraw/zinc/74/25/22/674742522.db2.gz AQQDUMDWPIQFJV-NTZNESFSSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1C(=O)c1c[n-]n2c1nccc2=O ZINC000911807030 674747656 /nfs/dbraw/zinc/74/76/56/674747656.db2.gz SXRHGHTXDSMLFF-DJLDLDEBSA-N -1 0 303.322 -0.240 20 0 DBADRM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC000911741307 674746312 /nfs/dbraw/zinc/74/63/12/674746312.db2.gz IQZBTTWDKCOMDR-BBBLOLIVSA-N -1 0 304.368 -0.411 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NCCN1CCCC1 ZINC000912529966 674773464 /nfs/dbraw/zinc/77/34/64/674773464.db2.gz JBXZYTAUCOEKIF-UHFFFAOYSA-N -1 0 302.356 -0.430 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NC2=NCC(=O)N2C)c1 ZINC000912499258 674772563 /nfs/dbraw/zinc/77/25/63/674772563.db2.gz VCLPXQZLYFLJDT-OAQYLSRUSA-N -1 0 309.347 -0.253 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C ZINC000912562577 674776183 /nfs/dbraw/zinc/77/61/83/674776183.db2.gz JPPNMJMSRFKPGQ-QMMMGPOBSA-N -1 0 319.339 -0.108 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NCCC[C@H](C)C(=O)[O-] ZINC000912558866 674777407 /nfs/dbraw/zinc/77/74/07/674777407.db2.gz QRAJCIAPBYMZON-ZETCQYMHSA-N -1 0 319.339 -0.025 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N(C)CCCC(=O)[O-] ZINC000912558942 674777476 /nfs/dbraw/zinc/77/74/76/674777476.db2.gz SXNVBOVILBRQOV-UHFFFAOYSA-N -1 0 305.312 -0.318 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000912558207 674777525 /nfs/dbraw/zinc/77/75/25/674777525.db2.gz MDGOPCHRQRJWIT-QMMMGPOBSA-N -1 0 319.339 -0.026 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C3(C)CC3)C[C@H]2O)c1[O-] ZINC000991389142 674778168 /nfs/dbraw/zinc/77/81/68/674778168.db2.gz LYWRQMQMCVREDV-VHSXEESVSA-N -1 0 322.365 -0.085 20 0 DBADRM CN(C(=O)C(=O)N1CCN(c2ccccc2)CC1)c1nnn[n-]1 ZINC000912616600 674778613 /nfs/dbraw/zinc/77/86/13/674778613.db2.gz KVGRJUKEIVCECQ-UHFFFAOYSA-N -1 0 315.337 -0.489 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C(F)F)C[C@@H]2O)c1[O-] ZINC000991391458 674781141 /nfs/dbraw/zinc/78/11/41/674781141.db2.gz PESFHYFOEOKYGB-RQJHMYQMSA-N -1 0 318.280 -0.620 20 0 DBADRM C[C@@H]1C(=O)N(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)N1C ZINC000912818296 674786787 /nfs/dbraw/zinc/78/67/87/674786787.db2.gz CHXYASRVKQZGGF-RXMQYKEDSA-N -1 0 324.259 -0.243 20 0 DBADRM CN(CC(N)=O)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000746687941 674787391 /nfs/dbraw/zinc/78/73/91/674787391.db2.gz YTALNZDXUTTYTA-UHFFFAOYSA-N -1 0 306.347 -0.371 20 0 DBADRM CCn1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001038126261 674792163 /nfs/dbraw/zinc/79/21/63/674792163.db2.gz JYMJFWACLBIYMS-JTQLQIEISA-N -1 0 305.342 -0.269 20 0 DBADRM C/C(=C/C(=O)N1CCOC[C@H]1c1nnn[n-]1)CN1CCOCC1 ZINC000913499354 674801413 /nfs/dbraw/zinc/80/14/13/674801413.db2.gz NXNMLROEGPIQSB-KGTBHZDVSA-N -1 0 322.369 -0.622 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000803379261 674808639 /nfs/dbraw/zinc/80/86/39/674808639.db2.gz FMWJQRJKPZVPLB-QMMMGPOBSA-N -1 0 313.276 -0.567 20 0 DBADRM O=C(NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1)[C@H]1CCCO1 ZINC001030086085 674820090 /nfs/dbraw/zinc/82/00/90/674820090.db2.gz VTRYEVPFSCJOBP-GFCCVEGCSA-N -1 0 317.349 -0.498 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CCc3ccnn3C)C2)c1[O-] ZINC001030222165 674846858 /nfs/dbraw/zinc/84/68/58/674846858.db2.gz ILJFHXHZWOHUFJ-UHFFFAOYSA-N -1 0 304.354 -0.186 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)Cc1ccccc1C(=O)[O-] ZINC000225887767 674853583 /nfs/dbraw/zinc/85/35/83/674853583.db2.gz ULAGSQFWWOKARB-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCCc2n[nH]cc21 ZINC001030314660 674862798 /nfs/dbraw/zinc/86/27/98/674862798.db2.gz XGVITSQDTZKGAA-SECBINFHSA-N -1 0 317.353 -0.346 20 0 DBADRM O=C(NC1CN(C(=O)C2CC2)C1)c1c[n-]n2c1nccc2=O ZINC000991658466 674859653 /nfs/dbraw/zinc/85/96/53/674859653.db2.gz FSUBIALRBWQDEZ-UHFFFAOYSA-N -1 0 301.306 -0.627 20 0 DBADRM CCn1ccc(CC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001030341209 674867323 /nfs/dbraw/zinc/86/73/23/674867323.db2.gz RBRZLLQRQUJNGS-UHFFFAOYSA-N -1 0 305.342 -0.730 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cncc2[nH]cnc21 ZINC001030345542 674868296 /nfs/dbraw/zinc/86/82/96/674868296.db2.gz VRXNGMFOMAAOPN-UHFFFAOYSA-N -1 0 314.309 -0.604 20 0 DBADRM CCCn1nccc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030378210 674873912 /nfs/dbraw/zinc/87/39/12/674873912.db2.gz KBFMKPBZJZJXCL-UHFFFAOYSA-N -1 0 305.342 -0.269 20 0 DBADRM COc1cc(C)cnc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030456268 674892120 /nfs/dbraw/zinc/89/21/20/674892120.db2.gz ZQCLDGDCBFLIOM-UHFFFAOYSA-N -1 0 318.337 -0.163 20 0 DBADRM Cc1nn(C)cc1CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030454794 674892149 /nfs/dbraw/zinc/89/21/49/674892149.db2.gz SDJAOYXUJOUYSE-UHFFFAOYSA-N -1 0 305.342 -0.905 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)OC)C1 ZINC000842334427 674895940 /nfs/dbraw/zinc/89/59/40/674895940.db2.gz UNLVDOZYEWEVFZ-HLTSFMKQSA-N -1 0 321.351 -0.417 20 0 DBADRM CC[C@H](CNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000087499176 674901860 /nfs/dbraw/zinc/90/18/60/674901860.db2.gz WAPOTEVXAYAQTF-SSDOTTSWSA-N -1 0 303.340 -0.487 20 0 DBADRM CCc1c(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001030602322 674911100 /nfs/dbraw/zinc/91/11/00/674911100.db2.gz OZXNVLTYKXHKHO-UHFFFAOYSA-N -1 0 305.342 -0.580 20 0 DBADRM Cc1cccnc1CN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030617099 674913186 /nfs/dbraw/zinc/91/31/86/674913186.db2.gz WXIQNNPXWVCPIW-UHFFFAOYSA-N -1 0 316.321 -0.400 20 0 DBADRM CCn1ccnc1CN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030617066 674913537 /nfs/dbraw/zinc/91/35/37/674913537.db2.gz VQTHIFPDZPFMRY-UHFFFAOYSA-N -1 0 319.325 -0.887 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC2CN([C@@H](C)C(N)=O)C2)cc1=O ZINC001030624713 674914763 /nfs/dbraw/zinc/91/47/63/674914763.db2.gz SHXOQOPKOCRHJJ-JTQLQIEISA-N -1 0 323.397 -0.951 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NCC1(C(=O)[O-])CCC1 ZINC000231019844 674920462 /nfs/dbraw/zinc/92/04/62/674920462.db2.gz QUXPHGNAYIBHKP-UHFFFAOYSA-N -1 0 307.372 -0.520 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000231021237 674920593 /nfs/dbraw/zinc/92/05/93/674920593.db2.gz PQOJLENVUCUXSZ-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM CC(C)(C)[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000063142476 674920917 /nfs/dbraw/zinc/92/09/17/674920917.db2.gz UTIYZCNCCBCXJA-SSDOTTSWSA-N -1 0 301.386 -0.550 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)c1cnc[nH]c1=O)[C@@H]1CCCO1 ZINC000948878738 674921463 /nfs/dbraw/zinc/92/14/63/674921463.db2.gz BHVPHLKWJUBPDZ-KOLCDFICSA-N -1 0 306.322 -0.308 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2cnns2)c1[O-] ZINC000948941778 674927158 /nfs/dbraw/zinc/92/71/58/674927158.db2.gz STUPWBYQSWJYPF-SSDOTTSWSA-N -1 0 322.350 -0.080 20 0 DBADRM Cc1cnc(C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)cc1C ZINC001030715059 674930702 /nfs/dbraw/zinc/93/07/02/674930702.db2.gz YNWHKVNRICZWNE-UHFFFAOYSA-N -1 0 316.365 -0.266 20 0 DBADRM CC[C@@H]1C[C@H](C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)CC(=O)N1 ZINC001030725517 674932620 /nfs/dbraw/zinc/93/26/20/674932620.db2.gz STZSFKQQDHYMHO-DTWKUNHWSA-N -1 0 322.369 -0.885 20 0 DBADRM Cc1cc(CN2CC(NC(=O)c3cnc([O-])n(C)c3=O)C2)no1 ZINC001030779707 674951317 /nfs/dbraw/zinc/95/13/17/674951317.db2.gz GRAQAHJRGKLLMN-UHFFFAOYSA-N -1 0 319.321 -0.603 20 0 DBADRM Cc1oncc1CN1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001030779679 674951527 /nfs/dbraw/zinc/95/15/27/674951527.db2.gz GAGUCFADVXRSFD-UHFFFAOYSA-N -1 0 319.321 -0.603 20 0 DBADRM C[C@H](C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cncnc1 ZINC001030837238 674973839 /nfs/dbraw/zinc/97/38/39/674973839.db2.gz HARNNUJHZAFHIP-QMMMGPOBSA-N -1 0 303.326 -0.596 20 0 DBADRM COc1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cc(C)n1 ZINC001030856205 674979549 /nfs/dbraw/zinc/97/95/49/674979549.db2.gz SYCRJESEDVYYRD-UHFFFAOYSA-N -1 0 318.337 -0.163 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCC1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000992283109 674982833 /nfs/dbraw/zinc/98/28/33/674982833.db2.gz QXGCOIIHRCTCLU-MDVIFZSFSA-N -1 0 321.337 -0.437 20 0 DBADRM CCC(=O)NC1CC(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000992286661 674983662 /nfs/dbraw/zinc/98/36/62/674983662.db2.gz NFOGDFCUVKMYFD-UHFFFAOYSA-N -1 0 308.338 -0.480 20 0 DBADRM O=C(N[C@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)c1cnon1 ZINC000992339664 674993609 /nfs/dbraw/zinc/99/36/09/674993609.db2.gz DNXHKZXPWWOKSZ-ZANVPECISA-N -1 0 319.325 -0.180 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCc1cnn(C)c1C ZINC000759439809 674996270 /nfs/dbraw/zinc/99/62/70/674996270.db2.gz ZPVABTXWYAQQEW-UHFFFAOYSA-N -1 0 318.399 -0.400 20 0 DBADRM CCc1c(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)nnn1CC ZINC001030944864 675006109 /nfs/dbraw/zinc/00/61/09/675006109.db2.gz ZORBIFVAMVSFTR-UHFFFAOYSA-N -1 0 320.357 -0.702 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ocnc1C1CC1 ZINC001030950041 675008840 /nfs/dbraw/zinc/00/88/40/675008840.db2.gz GKRYIDOXFMTVJD-UHFFFAOYSA-N -1 0 304.310 -0.010 20 0 DBADRM CC(C)(C)n1cnc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001030952971 675010375 /nfs/dbraw/zinc/01/03/75/675010375.db2.gz BUBYTBPSJGAOCF-UHFFFAOYSA-N -1 0 320.357 -0.529 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000913992469 675015407 /nfs/dbraw/zinc/01/54/07/675015407.db2.gz AIKQLYHLTOOHBL-NSHDSACASA-N -1 0 302.375 -0.680 20 0 DBADRM O=S(=O)(N[C@H](CO)c1cccc(F)c1)[C@@H]1COC[C@H]1O ZINC000914162530 675024302 /nfs/dbraw/zinc/02/43/02/675024302.db2.gz HMORFHVIMZEBNK-IJLUTSLNSA-N -1 0 305.327 -0.462 20 0 DBADRM CCn1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c(C)n1 ZINC001031027404 675025611 /nfs/dbraw/zinc/02/56/11/675025611.db2.gz CEPHGGPDXKZRCT-UHFFFAOYSA-N -1 0 305.342 -0.351 20 0 DBADRM C[C@@H](C(N)=O)N1CC(NC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC001031035609 675027221 /nfs/dbraw/zinc/02/72/21/675027221.db2.gz ZWGLERZVQDJEMG-QMMMGPOBSA-N -1 0 315.333 -0.377 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001031039083 675028422 /nfs/dbraw/zinc/02/84/22/675028422.db2.gz WYFMHOHUEKAMTC-BDAKNGLRSA-N -1 0 322.369 -0.898 20 0 DBADRM COCC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@]2(C)C1 ZINC000992794466 675030832 /nfs/dbraw/zinc/03/08/32/675030832.db2.gz OOOZJHSSJQKVGE-BMIGLBTASA-N -1 0 322.365 -0.009 20 0 DBADRM COCc1ncsc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031071588 675036367 /nfs/dbraw/zinc/03/63/67/675036367.db2.gz FRKKIAJQNIARGP-UHFFFAOYSA-N -1 0 324.366 -0.273 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730529634 675036777 /nfs/dbraw/zinc/03/67/77/675036777.db2.gz ONHRJGSGOZTOFJ-VIFPVBQESA-N -1 0 320.353 -0.508 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730526853 675036788 /nfs/dbraw/zinc/03/67/88/675036788.db2.gz MDGRHUFNISNEDN-VIFPVBQESA-N -1 0 301.310 -0.527 20 0 DBADRM NC(=O)CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CCCC1 ZINC000730531710 675037284 /nfs/dbraw/zinc/03/72/84/675037284.db2.gz XBIXWHNOZDRHDE-UHFFFAOYSA-N -1 0 318.337 -0.672 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3cn(C)nn3)C2)c1[O-] ZINC001007135610 675038351 /nfs/dbraw/zinc/03/83/51/675038351.db2.gz XNDCVFHRPTWJTN-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1cccc(CO)c1 ZINC000730591015 675041130 /nfs/dbraw/zinc/04/11/30/675041130.db2.gz CQCZHNOFBJHGPA-UHFFFAOYSA-N -1 0 313.317 -0.120 20 0 DBADRM CCCNC(=O)[C@@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730659367 675045730 /nfs/dbraw/zinc/04/57/30/675045730.db2.gz OUPIWMUYAFAZQA-MRVPVSSYSA-N -1 0 307.310 -0.471 20 0 DBADRM Cn1cc(C(C)(C)C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001031180611 675057529 /nfs/dbraw/zinc/05/75/29/675057529.db2.gz ZWCUHBZVYYRKJC-UHFFFAOYSA-N -1 0 319.369 -0.478 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2CCN2CCNC2=O)c1[O-] ZINC001038165317 670574577 /nfs/dbraw/zinc/57/45/77/670574577.db2.gz PTTQDFCDRPQUFO-JTQLQIEISA-N -1 0 322.369 -0.747 20 0 DBADRM CCC(=O)N1CCCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000937132835 670785527 /nfs/dbraw/zinc/78/55/27/670785527.db2.gz ARRIAVLQPUMHFT-QMMMGPOBSA-N -1 0 309.326 -0.196 20 0 DBADRM C[C@@H](C(=O)[N-]S(C)(=O)=O)N1C(=O)NC2(CCCC2)C1=O ZINC000726729422 670873332 /nfs/dbraw/zinc/87/33/32/670873332.db2.gz WIKDDSBNPIVCJJ-ZETCQYMHSA-N -1 0 303.340 -0.685 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@H](C)C(N)=O)cc(C(=O)[O-])c1F ZINC000158929636 670889771 /nfs/dbraw/zinc/88/97/71/670889771.db2.gz WQYALLYLKRQVNB-LURJTMIESA-N -1 0 304.299 -0.016 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)c1[O-] ZINC000983116012 670956049 /nfs/dbraw/zinc/95/60/49/670956049.db2.gz SHMJQJLIQFYMPA-QMMMGPOBSA-N -1 0 319.325 -0.566 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983122435 670959492 /nfs/dbraw/zinc/95/94/92/670959492.db2.gz YZVQMCMAAMLNQN-CIUDSAMLSA-N -1 0 321.337 -0.483 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C(F)F ZINC001012120645 670967040 /nfs/dbraw/zinc/96/70/40/670967040.db2.gz HAMHTDYTPJWPHD-WHFBIAKZSA-N -1 0 317.252 -0.733 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C(F)F ZINC001012120642 670967490 /nfs/dbraw/zinc/96/74/90/670967490.db2.gz HAMHTDYTPJWPHD-CRCLSJGQSA-N -1 0 317.252 -0.733 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028728495 671005343 /nfs/dbraw/zinc/00/53/43/671005343.db2.gz UFIMEKJMMYSBAY-MRVPVSSYSA-N -1 0 306.330 -0.811 20 0 DBADRM Cn1c(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c[nH]c1=O ZINC001028738734 671015461 /nfs/dbraw/zinc/01/54/61/671015461.db2.gz ZLPGAUUCJBBQTP-MRVPVSSYSA-N -1 0 321.341 -0.799 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1n[nH]cc1F ZINC001028784652 671046630 /nfs/dbraw/zinc/04/66/30/671046630.db2.gz REDXTCLKQNEOTI-SSDOTTSWSA-N -1 0 309.305 -0.376 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnnc1 ZINC001028827155 671061849 /nfs/dbraw/zinc/06/18/49/671061849.db2.gz PCUBZTRAPRGAHG-SECBINFHSA-N -1 0 303.326 -0.448 20 0 DBADRM NC(=O)CN1CC[C@H](CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001028926899 671101347 /nfs/dbraw/zinc/10/13/47/671101347.db2.gz RXSUNNRKUJPJAI-MRVPVSSYSA-N -1 0 319.321 -0.535 20 0 DBADRM CC(=O)N[C@@H]1CCC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000983406271 671128010 /nfs/dbraw/zinc/12/80/10/671128010.db2.gz VWMJJWBJGHMPLW-ZJUUUORDSA-N -1 0 308.338 -0.337 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc(=O)[nH]c1 ZINC001028968944 671128620 /nfs/dbraw/zinc/12/86/20/671128620.db2.gz IPLMSQBNSGKXKJ-VIFPVBQESA-N -1 0 318.337 -0.137 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1C[C@@H]2CSC[C@@H]2C1 ZINC000894347036 671131397 /nfs/dbraw/zinc/13/13/97/671131397.db2.gz YLMBGTLKMCIOLS-DTORHVGOSA-N -1 0 305.363 -0.107 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000983758532 671260259 /nfs/dbraw/zinc/26/02/59/671260259.db2.gz PVLHHUYWOSVOGV-SNVBAGLBSA-N -1 0 323.353 -0.451 20 0 DBADRM Cc1sc(=O)n(CC(=O)[N-]S(=O)(=O)N2CCCC2)c1C ZINC000049015390 671263422 /nfs/dbraw/zinc/26/34/22/671263422.db2.gz MCOYSNHJXHYOEE-UHFFFAOYSA-N -1 0 319.408 -0.017 20 0 DBADRM CC(=O)NC[C@@H]1CCCCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC000937431765 671263758 /nfs/dbraw/zinc/26/37/58/671263758.db2.gz AMRWDIVCLCJFHM-JTQLQIEISA-N -1 0 323.353 -0.267 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N(CC(=O)[O-])CC(C)C ZINC000262083576 671269661 /nfs/dbraw/zinc/26/96/61/671269661.db2.gz FNSGEHNUEHNYHP-UHFFFAOYSA-N -1 0 324.399 -0.489 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nc(=O)n(C)[nH]1 ZINC001029198726 671272385 /nfs/dbraw/zinc/27/23/85/671272385.db2.gz VTGBQHGQMWYGJG-YFKTTZPYSA-N -1 0 305.382 -0.060 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000909422746 671277775 /nfs/dbraw/zinc/27/77/75/671277775.db2.gz QJWVGPKWZOSADU-ABAIWWIYSA-N -1 0 308.334 -0.159 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@H](O)C1CCC1 ZINC000909425557 671281951 /nfs/dbraw/zinc/28/19/51/671281951.db2.gz BOMNQXGSEWGJIK-WCQYABFASA-N -1 0 312.366 -0.071 20 0 DBADRM COCCOCC(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000738068110 671285916 /nfs/dbraw/zinc/28/59/16/671285916.db2.gz AWPCKKIQTKOTBY-UHFFFAOYSA-N -1 0 316.354 -0.569 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)CC(C)(C)O ZINC000909434898 671288481 /nfs/dbraw/zinc/28/84/81/671288481.db2.gz ZBYYVPHRUGMPEK-SNVBAGLBSA-N -1 0 300.355 -0.071 20 0 DBADRM CC[C@@H](CO)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000909434968 671288529 /nfs/dbraw/zinc/28/85/29/671288529.db2.gz WQNTXSKVINOYFE-WDEREUQCSA-N -1 0 300.355 -0.214 20 0 DBADRM CCC[C@H](NC(=O)CNS(=O)(=O)CCOC(C)C)C(=O)[O-] ZINC000262144998 671318186 /nfs/dbraw/zinc/31/81/86/671318186.db2.gz MOENPORFIKNMJE-JTQLQIEISA-N -1 0 324.399 -0.300 20 0 DBADRM CC(C)C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001012309126 671318390 /nfs/dbraw/zinc/31/83/90/671318390.db2.gz NKOGUUVVBONKRW-SFYZADRCSA-N -1 0 309.326 -0.342 20 0 DBADRM CC(C)(C(N)=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029346230 671318482 /nfs/dbraw/zinc/31/84/82/671318482.db2.gz DPNKFCIJYAXTIY-DTORHVGOSA-N -1 0 322.369 -0.803 20 0 DBADRM C[C@H](CN(C(=O)CN(C)S(=O)(=O)N(C)C)C1CC1)C(=O)[O-] ZINC000909459484 671319412 /nfs/dbraw/zinc/31/94/12/671319412.db2.gz WVFRCYIUZUOHFY-SECBINFHSA-N -1 0 321.399 -0.564 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000909496665 671328851 /nfs/dbraw/zinc/32/88/51/671328851.db2.gz IBHMKDLEOXXRCS-SNVBAGLBSA-N -1 0 321.399 -0.420 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2cnn(C)n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947805154 671331622 /nfs/dbraw/zinc/33/16/22/671331622.db2.gz DGFHCRLTHVHYQS-DTWKUNHWSA-N -1 0 320.357 -0.578 20 0 DBADRM O=C1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CCCN1 ZINC000727139911 671334480 /nfs/dbraw/zinc/33/44/80/671334480.db2.gz NITWAPDWYJLCHP-UHFFFAOYSA-N -1 0 308.363 -0.170 20 0 DBADRM O=C(/C=C\CN1CCOCC1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000866902198 671339265 /nfs/dbraw/zinc/33/92/65/671339265.db2.gz ZPOXTSORCBCYPV-DTRQGZQOSA-N -1 0 306.370 -0.206 20 0 DBADRM O=C(c1cnco1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029413507 671339323 /nfs/dbraw/zinc/33/93/23/671339323.db2.gz OJPICRHLSLSAAB-DTORHVGOSA-N -1 0 304.310 -0.013 20 0 DBADRM Cc1n[nH]nc1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029418107 671343010 /nfs/dbraw/zinc/34/30/10/671343010.db2.gz XLBVUABZYDBELI-DTORHVGOSA-N -1 0 318.341 -0.574 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)C2CC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000984389769 671346288 /nfs/dbraw/zinc/34/62/88/671346288.db2.gz YWOROZYYEXGNMD-DTWKUNHWSA-N -1 0 321.337 -0.198 20 0 DBADRM CN(C(=O)C1CC1)[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000984434005 671350024 /nfs/dbraw/zinc/35/00/24/671350024.db2.gz XAXSBIPUFXSILM-SECBINFHSA-N -1 0 321.337 -0.244 20 0 DBADRM CN1CCO[C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000074773722 671350475 /nfs/dbraw/zinc/35/04/75/671350475.db2.gz KMEMUUHBGLJVAB-NSHDSACASA-N -1 0 314.363 -0.006 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)Cc1ccon1 ZINC000262221736 671350482 /nfs/dbraw/zinc/35/04/82/671350482.db2.gz RDLKFROHTPFPIH-SNVBAGLBSA-N -1 0 309.322 -0.001 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262235350 671355754 /nfs/dbraw/zinc/35/57/54/671355754.db2.gz VTXDOPNZBBBABJ-UTUOFQBUSA-N -1 0 310.350 -0.053 20 0 DBADRM CC(C)n1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)n1 ZINC000750732622 671428594 /nfs/dbraw/zinc/42/85/94/671428594.db2.gz XKDVTFYZBWDCHO-UHFFFAOYSA-N -1 0 302.356 -0.229 20 0 DBADRM CC(C)(C)N1C[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)CC1=O ZINC000866903384 671448417 /nfs/dbraw/zinc/44/84/17/671448417.db2.gz JICPDKVTNALZJL-QMMMGPOBSA-N -1 0 311.429 -0.052 20 0 DBADRM CC[C@H](CN1CCOCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC000928642577 671448668 /nfs/dbraw/zinc/44/86/68/671448668.db2.gz OYTBPRSEKNGDSJ-SNVBAGLBSA-N -1 0 310.354 -0.674 20 0 DBADRM COc1nn(C)cc1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000909564118 671449173 /nfs/dbraw/zinc/44/91/73/671449173.db2.gz AHYRGAWTQZGEKD-LKFCYVNXSA-N -1 0 309.322 -0.008 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C1CC1 ZINC000985220705 671455062 /nfs/dbraw/zinc/45/50/62/671455062.db2.gz FXJMEATVZGDDCO-VHSXEESVSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@](O)(CNC(=O)CCNC(=O)Cc1ccccc1)C(=O)[O-] ZINC000262439803 671455359 /nfs/dbraw/zinc/45/53/59/671455359.db2.gz CPRKLYNYNHXQPB-HNNXBMFYSA-N -1 0 308.334 -0.313 20 0 DBADRM Cc1sc(=O)n(CCC(=O)NC[C@@](C)(O)C(=O)[O-])c1C ZINC000262455254 671456596 /nfs/dbraw/zinc/45/65/96/671456596.db2.gz FEJOCEZFUQUSOO-GFCCVEGCSA-N -1 0 302.352 -0.131 20 0 DBADRM Cn1cc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)ccc1=O ZINC000262462439 671457100 /nfs/dbraw/zinc/45/71/00/671457100.db2.gz VYQWCFSDQNJNGV-XHDPSFHLSA-N -1 0 306.318 -0.051 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCc1cncnc1 ZINC000796964074 671462406 /nfs/dbraw/zinc/46/24/06/671462406.db2.gz QMUJYJBAZVTHCO-UHFFFAOYSA-N -1 0 302.356 -0.652 20 0 DBADRM Cn1ccc(CCC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)n1 ZINC000797052751 671463575 /nfs/dbraw/zinc/46/35/75/671463575.db2.gz CVMKHYRCXWFGAK-NSHDSACASA-N -1 0 301.368 -0.022 20 0 DBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccnc2)cn1 ZINC000728762710 671465311 /nfs/dbraw/zinc/46/53/11/671465311.db2.gz YPXRIOMBNHHINB-UHFFFAOYSA-N -1 0 320.330 -0.045 20 0 DBADRM CN1CCC[C@@H]([N-]S(=O)(=O)N=S2(=O)CCCC2)C1=O ZINC000866913970 671465534 /nfs/dbraw/zinc/46/55/34/671465534.db2.gz BJRAVKUGUFDEJO-SECBINFHSA-N -1 0 309.413 -0.297 20 0 DBADRM C[N@@H+](Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001029667202 671481943 /nfs/dbraw/zinc/48/19/43/671481943.db2.gz UIVJSQTWGNGRJS-WDEREUQCSA-N -1 0 309.370 -0.173 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000937577520 671489702 /nfs/dbraw/zinc/48/97/02/671489702.db2.gz BOGSPGFTTKODBR-QMMMGPOBSA-N -1 0 309.326 -0.658 20 0 DBADRM C[C@@](O)(CNC(=O)c1cn(Cc2cccs2)nn1)C(=O)[O-] ZINC000262533350 671494394 /nfs/dbraw/zinc/49/43/94/671494394.db2.gz PZZDTQJJZZGKKB-GFCCVEGCSA-N -1 0 310.335 -0.047 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCCC1 ZINC000937592891 671497007 /nfs/dbraw/zinc/49/70/07/671497007.db2.gz PVPKRSZLKHTMPC-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1cnnn1 ZINC000320678919 671498029 /nfs/dbraw/zinc/49/80/29/671498029.db2.gz OHYIVFUXHLNYOR-GFCCVEGCSA-N -1 0 314.305 -0.034 20 0 DBADRM CN(C)C(=O)COc1ccccc1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262545743 671499390 /nfs/dbraw/zinc/49/93/90/671499390.db2.gz RYHGOVPKKPPXQV-HNNXBMFYSA-N -1 0 324.333 -0.281 20 0 DBADRM CC(C)C[C@@H](CNC(=O)N1CCC[C@@](O)(C(N)=O)C1)C(=O)[O-] ZINC000262558800 671502985 /nfs/dbraw/zinc/50/29/85/671502985.db2.gz UTVQVSKQCJTVAV-HZMBPMFUSA-N -1 0 315.370 -0.245 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1CCOC[C@@H]1CC(=O)[O-])CC2 ZINC000909616141 671505387 /nfs/dbraw/zinc/50/53/87/671505387.db2.gz GBYUYSRYGIJLII-MNOVXSKESA-N -1 0 308.338 -0.149 20 0 DBADRM CC(=O)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC[C@@H]2C1 ZINC000985588960 671511824 /nfs/dbraw/zinc/51/18/24/671511824.db2.gz UIXBTJBYGGEHEG-ZJUUUORDSA-N -1 0 309.326 -0.984 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C2)nn1 ZINC000320787473 671525679 /nfs/dbraw/zinc/52/56/79/671525679.db2.gz NHPNNDDNDANTLI-QMMMGPOBSA-N -1 0 319.321 -0.630 20 0 DBADRM Cn1ccnc1CN1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001038467183 671526502 /nfs/dbraw/zinc/52/65/02/671526502.db2.gz YLMRLJQKJNPYJN-MRVPVSSYSA-N -1 0 319.325 -0.979 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000342461677 671537983 /nfs/dbraw/zinc/53/79/83/671537983.db2.gz AHXCKPGBHLEGMH-UWVGGRQHSA-N -1 0 302.352 -0.390 20 0 DBADRM Cc1nonc1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001029915792 671566921 /nfs/dbraw/zinc/56/69/21/671566921.db2.gz WKISCDAZXGUNRG-VIFPVBQESA-N -1 0 321.341 -0.204 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NCc3nncn3C)[C@H]2C)c1[O-] ZINC000986157578 671568622 /nfs/dbraw/zinc/56/86/22/671568622.db2.gz IWYCPBVCOULPBH-ZJUUUORDSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)[C@H]2C)c1[O-] ZINC000986160712 671569475 /nfs/dbraw/zinc/56/94/75/671569475.db2.gz OVIGBOVIKHIGPZ-SFYZADRCSA-N -1 0 321.341 -0.360 20 0 DBADRM CCC(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC000986466963 671594040 /nfs/dbraw/zinc/59/40/40/671594040.db2.gz RYMTVJNQRISMGD-ZJUUUORDSA-N -1 0 323.353 -0.594 20 0 DBADRM CC(=O)N1CCC([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000986701940 671613902 /nfs/dbraw/zinc/61/39/02/671613902.db2.gz CZRKPTOLMLNEIJ-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cc1cnoc1 ZINC000986688919 671614013 /nfs/dbraw/zinc/61/40/13/671614013.db2.gz FEFNYLHVBZCEEY-GXSJLCMTSA-N -1 0 320.353 -0.582 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](OC)c1cnn(C)c1 ZINC000798860825 671618214 /nfs/dbraw/zinc/61/82/14/671618214.db2.gz FACBUSVLDXCICZ-WPRPVWTQSA-N -1 0 305.356 -0.412 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CCN(C(=O)C(N)=O)CC2)c1[O-] ZINC000986980871 671632163 /nfs/dbraw/zinc/63/21/63/671632163.db2.gz QJYZRNBBADLJGK-SSDOTTSWSA-N -1 0 323.353 -0.734 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C2CCC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987193567 671659048 /nfs/dbraw/zinc/65/90/48/671659048.db2.gz IXAONDXJJFKFCK-SCZZXKLOSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263243514 671667396 /nfs/dbraw/zinc/66/73/96/671667396.db2.gz RYDMXNMXAIRJIT-KXUCPTDWSA-N -1 0 306.384 -0.165 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000263300977 671680041 /nfs/dbraw/zinc/68/00/41/671680041.db2.gz WVYBQAIIVNEAAU-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000263300840 671680612 /nfs/dbraw/zinc/68/06/12/671680612.db2.gz GOULRIHOATYDJV-WDEREUQCSA-N -1 0 313.354 -0.403 20 0 DBADRM Cc1nccn1CC(=O)N1CC[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC000987532851 671696719 /nfs/dbraw/zinc/69/67/19/671696719.db2.gz SADPAVFWVPEMHN-ONGXEEELSA-N -1 0 319.369 -0.206 20 0 DBADRM Cc1nccn1CC(=O)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC000987532837 671697065 /nfs/dbraw/zinc/69/70/65/671697065.db2.gz SADPAVFWVPEMHN-GXSJLCMTSA-N -1 0 319.369 -0.206 20 0 DBADRM Cc1ccc(C(=O)NCCC(=O)NC[C@@](C)(O)C(=O)[O-])c(O)c1 ZINC000263439464 671699345 /nfs/dbraw/zinc/69/93/45/671699345.db2.gz PISDHROZFYPOMU-OAHLLOKOSA-N -1 0 324.333 -0.228 20 0 DBADRM CCC(=O)N1CC[C@@H](CN(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000987626858 671706765 /nfs/dbraw/zinc/70/67/65/671706765.db2.gz PNNCHLUMNVZBGW-JTQLQIEISA-N -1 0 322.365 -0.184 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN(C(=O)CC(N)=O)C2)c1[O-] ZINC000987844735 671724261 /nfs/dbraw/zinc/72/42/61/671724261.db2.gz AWFIHFAWRLNALF-VIFPVBQESA-N -1 0 323.353 -0.780 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C)C(=O)[O-])cnc1C ZINC000263558944 671727979 /nfs/dbraw/zinc/72/79/79/671727979.db2.gz QADKCSKRUIDPKO-SSDOTTSWSA-N -1 0 302.308 -0.072 20 0 DBADRM CC(=O)N(C)CC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000988582565 671811856 /nfs/dbraw/zinc/81/18/56/671811856.db2.gz RMJUKCTWPTUTCK-UHFFFAOYSA-N -1 0 311.342 -0.594 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C[C@H]2C)c1[O-] ZINC000988636955 671814504 /nfs/dbraw/zinc/81/45/04/671814504.db2.gz SSYOEQCGXMSUDV-HTRCEHHLSA-N -1 0 321.341 -0.360 20 0 DBADRM Cn1nccc1C(=O)N[C@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC000937736034 671827931 /nfs/dbraw/zinc/82/79/31/671827931.db2.gz SIJWICAYHHBQQW-VIFPVBQESA-N -1 0 316.321 -0.440 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)Cc3ccon3)C2)c1[O-] ZINC000937761880 671831746 /nfs/dbraw/zinc/83/17/46/671831746.db2.gz ZRFROVYQHMAUCV-JTQLQIEISA-N -1 0 319.321 -0.015 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC=CC1 ZINC000937767319 671834658 /nfs/dbraw/zinc/83/46/58/671834658.db2.gz JECAKVGVPAFIES-VIFPVBQESA-N -1 0 319.321 -0.420 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000937791715 671836871 /nfs/dbraw/zinc/83/68/71/671836871.db2.gz ZQKWYWKVFNSWOZ-APPZFPTMSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnsn3)C2)c1[O-] ZINC000937832741 671840156 /nfs/dbraw/zinc/84/01/56/671840156.db2.gz TTYGWONSPZFQEP-ZETCQYMHSA-N -1 0 322.350 -0.080 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)c1[O-] ZINC000937837038 671840624 /nfs/dbraw/zinc/84/06/24/671840624.db2.gz VNMGQHUDCCHABJ-QMMMGPOBSA-N -1 0 321.337 -0.980 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3csnn3)C2)c1[O-] ZINC000937836093 671840651 /nfs/dbraw/zinc/84/06/51/671840651.db2.gz VYWJJFGWKYSTBJ-ZETCQYMHSA-N -1 0 322.350 -0.080 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3ccn(C)n3)C2)c1[O-] ZINC000937980247 671856922 /nfs/dbraw/zinc/85/69/22/671856922.db2.gz GKMRYUDCZCAIDO-VIFPVBQESA-N -1 0 318.337 -0.198 20 0 DBADRM COc1ccc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001038478372 671859340 /nfs/dbraw/zinc/85/93/40/671859340.db2.gz UZYCIYIIQZUPND-SNVBAGLBSA-N -1 0 318.337 -0.082 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cc[nH]c1 ZINC000938082097 671867923 /nfs/dbraw/zinc/86/79/23/671867923.db2.gz NUWLIMWGGHDTJZ-QMMMGPOBSA-N -1 0 318.293 -0.745 20 0 DBADRM C[C@](O)(CNC(=O)c1cn(Cc2ccccc2)nn1)C(=O)[O-] ZINC000262347259 671868667 /nfs/dbraw/zinc/86/86/67/671868667.db2.gz DLEJUKQVOGLPOF-AWEZNQCLSA-N -1 0 304.306 -0.108 20 0 DBADRM CCn1ncc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001014355324 672476789 /nfs/dbraw/zinc/47/67/89/672476789.db2.gz IZVFECHSUYIDHI-MRVPVSSYSA-N -1 0 306.330 -0.874 20 0 DBADRM NC(=O)[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCCC2)C1 ZINC000786934364 672506588 /nfs/dbraw/zinc/50/65/88/672506588.db2.gz RSIFUQDODOIBEK-UWVGGRQHSA-N -1 0 303.384 -0.265 20 0 DBADRM NC(=O)CN1CCCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000989472947 672552251 /nfs/dbraw/zinc/55/22/51/672552251.db2.gz QLXZWFJFWGGAQW-UHFFFAOYSA-N -1 0 319.321 -0.438 20 0 DBADRM O=C(NC1CN(C(=O)c2cnc[nH]c2=O)C1)c1cnccn1 ZINC000990101802 672645577 /nfs/dbraw/zinc/64/55/77/672645577.db2.gz CLDJWAWIHVQJOK-UHFFFAOYSA-N -1 0 300.278 -0.773 20 0 DBADRM CNC(=O)CN1CC[C@@]2(NC(=O)c3[nH]nc(C)c3[O-])CCC[C@@H]12 ZINC000990195135 672672084 /nfs/dbraw/zinc/67/20/84/672672084.db2.gz WYTZJXDURCHYFV-BMIGLBTASA-N -1 0 321.381 -0.103 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)Cn3cccn3)C2)c1[O-] ZINC000990234188 672687428 /nfs/dbraw/zinc/68/74/28/672687428.db2.gz ODIGVKRQPZYZGX-UHFFFAOYSA-N -1 0 304.310 -0.739 20 0 DBADRM CC(C)C(=O)NC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000990269659 672696217 /nfs/dbraw/zinc/69/62/17/672696217.db2.gz OEGPVXOBBBWVEA-UHFFFAOYSA-N -1 0 303.322 -0.381 20 0 DBADRM CN1CCO[C@H](C(=O)N2CC(NC(=O)c3ccccc3O)C2)C1 ZINC000990272667 672697758 /nfs/dbraw/zinc/69/77/58/672697758.db2.gz RAEAVMZNFATROB-AWEZNQCLSA-N -1 0 319.361 -0.337 20 0 DBADRM CC(C)C(=O)NC1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000990265396 672701476 /nfs/dbraw/zinc/70/14/76/672701476.db2.gz RACFLNSSMVOWIT-UHFFFAOYSA-N -1 0 309.326 -0.802 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@H](C)n3cccn3)C2)c1[O-] ZINC000990293042 672718402 /nfs/dbraw/zinc/71/84/02/672718402.db2.gz KEWUKYUIZCSPGU-VIFPVBQESA-N -1 0 318.337 -0.178 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(Cl)nc1 ZINC000916102371 677414220 /nfs/dbraw/zinc/41/42/20/677414220.db2.gz HWLRNEAZVVUTQM-UHFFFAOYSA-N -1 0 307.715 -0.786 20 0 DBADRM Cc1nn(C(C)(C)C)cc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766925315 677484015 /nfs/dbraw/zinc/48/40/15/677484015.db2.gz ZLPWPWXKXUWYOS-UHFFFAOYSA-N -1 0 302.356 -0.509 20 0 DBADRM COCCN1CC(N2CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)C1 ZINC000941381119 677796883 /nfs/dbraw/zinc/79/68/83/677796883.db2.gz WOPSDEKTZZALPK-UHFFFAOYSA-N -1 0 323.397 -0.488 20 0 DBADRM C[C@@H](NC(=O)c1cc(=O)[nH][n-]1)c1cccc(S(N)(=O)=O)c1 ZINC000731865145 677346539 /nfs/dbraw/zinc/34/65/39/677346539.db2.gz GIJUXJHFGWTEGY-SSDOTTSWSA-N -1 0 310.335 -0.613 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000731880375 677346731 /nfs/dbraw/zinc/34/67/31/677346731.db2.gz LSKRGPUQORJIOB-RKDXNWHRSA-N -1 0 311.346 -0.673 20 0 DBADRM CCN(CC)C(=O)CN1CCCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000731868284 677346847 /nfs/dbraw/zinc/34/68/47/677346847.db2.gz AFPOOEQKIDFNFS-UHFFFAOYSA-N -1 0 323.397 -0.735 20 0 DBADRM O=C(NCCN1CCN(c2ccccc2)CC1)c1cc(=O)[nH][n-]1 ZINC000731868615 677346862 /nfs/dbraw/zinc/34/68/62/677346862.db2.gz LXVIJTGQZUWMHV-UHFFFAOYSA-N -1 0 315.377 -0.199 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(NC(C)=O)c1 ZINC000731921107 677347552 /nfs/dbraw/zinc/34/75/52/677347552.db2.gz LUYNMTZAOUEZQJ-UHFFFAOYSA-N -1 0 314.319 -0.122 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(C(=O)OC)c1 ZINC000731920298 677347783 /nfs/dbraw/zinc/34/77/83/677347783.db2.gz AVMHPHOVWBQJAE-UHFFFAOYSA-N -1 0 315.303 -0.294 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)OC ZINC000731962300 677348758 /nfs/dbraw/zinc/34/87/58/677348758.db2.gz IHSGTJDJSJUJDB-KCJUWKMLSA-N -1 0 321.337 -0.225 20 0 DBADRM O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732089180 677350440 /nfs/dbraw/zinc/35/04/40/677350440.db2.gz KHFKXNMPPYREAP-SNVBAGLBSA-N -1 0 315.293 -0.005 20 0 DBADRM CC(C)CN1C[C@H](C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CC1=O ZINC000732088721 677350769 /nfs/dbraw/zinc/35/07/69/677350769.db2.gz GFPJKICHHPYLMB-GHMZBOCLSA-N -1 0 322.369 -0.396 20 0 DBADRM O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1cc(=O)[nH][n-]1 ZINC000732264471 677352368 /nfs/dbraw/zinc/35/23/68/677352368.db2.gz SPPVAQNDKDXTLB-UHFFFAOYSA-N -1 0 321.337 -0.767 20 0 DBADRM CN(CCc1ccccn1)C(=O)CNC(=O)c1cc(=O)[nH][n-]1 ZINC000732284448 677353217 /nfs/dbraw/zinc/35/32/17/677353217.db2.gz QPTDCOZCKZIQFU-UHFFFAOYSA-N -1 0 303.322 -0.925 20 0 DBADRM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2cc(=O)[nH][n-]2)C1 ZINC000732288703 677353464 /nfs/dbraw/zinc/35/34/64/677353464.db2.gz XDYTWHGEWNLCEY-SSDOTTSWSA-N -1 0 308.367 -0.314 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)c2cncc(O)c2)CC1 ZINC000732394124 677357406 /nfs/dbraw/zinc/35/74/06/677357406.db2.gz WMTVOBBDFXHLKX-UHFFFAOYSA-N -1 0 307.306 -0.365 20 0 DBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1cncc(O)c1 ZINC000732393450 677357477 /nfs/dbraw/zinc/35/74/77/677357477.db2.gz RJFPEBNQDDJNPN-LLVKDONJSA-N -1 0 307.306 -0.190 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCC(=O)N1CCCCCC1 ZINC000915534808 677359469 /nfs/dbraw/zinc/35/94/69/677359469.db2.gz PDKFWYVDFPDDRU-UHFFFAOYSA-N -1 0 300.359 -0.244 20 0 DBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)CCC(C)C)CC1=O ZINC000732511731 677362493 /nfs/dbraw/zinc/36/24/93/677362493.db2.gz BGCINPCDHUZVPB-LLVKDONJSA-N -1 0 320.411 -0.027 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000732510961 677362578 /nfs/dbraw/zinc/36/25/78/677362578.db2.gz JSTRYNZOBBXOOI-VIFPVBQESA-N -1 0 318.351 -0.120 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000732521417 677363739 /nfs/dbraw/zinc/36/37/39/677363739.db2.gz OOHRMKSZRCVSOL-NSHDSACASA-N -1 0 318.395 -0.273 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cccc(NC(N)=O)c1 ZINC000732523944 677363937 /nfs/dbraw/zinc/36/39/37/677363937.db2.gz FZVHFFCLRBMSPL-UHFFFAOYSA-N -1 0 301.324 -0.117 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnc2)cc1 ZINC000732523248 677364013 /nfs/dbraw/zinc/36/40/13/677364013.db2.gz PKEFHMGPTBEWQF-UHFFFAOYSA-N -1 0 310.335 -0.027 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000732523566 677364128 /nfs/dbraw/zinc/36/41/28/677364128.db2.gz WEBJKALAIGZCTI-JTQLQIEISA-N -1 0 308.381 -0.856 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000732604799 677366427 /nfs/dbraw/zinc/36/64/27/677366427.db2.gz MHLOUPIUODCAOP-UHFFFAOYSA-N -1 0 309.347 -0.058 20 0 DBADRM O=C(CCCCN1CCOCC1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000737824219 677369861 /nfs/dbraw/zinc/36/98/61/677369861.db2.gz FZNOPFLZTGMCJZ-LBPRGKRZSA-N -1 0 324.385 -0.398 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1OC ZINC000732907414 677376774 /nfs/dbraw/zinc/37/67/74/677376774.db2.gz ZEFJSCGWJBYCGQ-UHFFFAOYSA-N -1 0 305.356 -0.167 20 0 DBADRM C[C@@H]1[C@H](NC(=O)Cc2c[nH]cn2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993887538 677392973 /nfs/dbraw/zinc/39/29/73/677392973.db2.gz REUCOQYLWABFQS-MWLCHTKSSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CCC[N@@H+]1CCO ZINC000993950201 677396123 /nfs/dbraw/zinc/39/61/23/677396123.db2.gz LMZMUVHSOQMGAM-CMPLNLGQSA-N -1 0 319.365 -0.402 20 0 DBADRM O=C(NCCNC(=O)c1c(F)cccc1F)c1cc(=O)[nH][n-]1 ZINC000733002934 677411865 /nfs/dbraw/zinc/41/18/65/677411865.db2.gz NTAFWXVCJIPDBY-UHFFFAOYSA-N -1 0 310.260 -0.313 20 0 DBADRM CCOCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000916173803 677414998 /nfs/dbraw/zinc/41/49/98/677414998.db2.gz XBVKGHYZWVTLIF-UHFFFAOYSA-N -1 0 311.323 -0.496 20 0 DBADRM C[C@H]1CC[C@H](CN2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC001031315020 677416532 /nfs/dbraw/zinc/41/65/32/677416532.db2.gz QFSHAJGCYHEJSX-WCBMZHEXSA-N -1 0 311.342 -0.943 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(CCC(F)(F)F)C1 ZINC001031315017 677416560 /nfs/dbraw/zinc/41/65/60/677416560.db2.gz QFECCKUIJGHKEA-UHFFFAOYSA-N -1 0 309.248 -0.558 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(Cc2cncc(F)c2)C1 ZINC001031314595 677416564 /nfs/dbraw/zinc/41/65/64/677416564.db2.gz AVWANBXWVMFBIS-UHFFFAOYSA-N -1 0 322.300 -0.776 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C/C(Cl)=C/Cl)C1 ZINC001031315159 677416887 /nfs/dbraw/zinc/41/68/87/677416887.db2.gz XDRVCDGWHMPJEK-BHQIHCQQSA-N -1 0 322.152 -0.191 20 0 DBADRM Cc1nc(CN2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)c(C)o1 ZINC001031315145 677416833 /nfs/dbraw/zinc/41/68/33/677416833.db2.gz WBKAKANJEWTDOQ-UHFFFAOYSA-N -1 0 322.325 -0.705 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cncnc1C1CC1 ZINC001031329215 677422752 /nfs/dbraw/zinc/42/27/52/677422752.db2.gz CBTUQVCUTLSSJZ-UHFFFAOYSA-N -1 0 315.337 -0.208 20 0 DBADRM CSCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000916789452 677424289 /nfs/dbraw/zinc/42/42/89/677424289.db2.gz YVHCARSNAGZSQU-UHFFFAOYSA-N -1 0 305.381 -0.318 20 0 DBADRM CCOCC(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000917439629 677441003 /nfs/dbraw/zinc/44/10/03/677441003.db2.gz SDAMMDXMTISINO-UHFFFAOYSA-N -1 0 321.376 -0.069 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1c[nH]c(C(N)=O)c1 ZINC000917413972 677441316 /nfs/dbraw/zinc/44/13/16/677441316.db2.gz CNTRYFWPAPTOBA-UHFFFAOYSA-N -1 0 312.307 -0.163 20 0 DBADRM C[C@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)OC2)C(=O)[O-] ZINC000917840670 677448613 /nfs/dbraw/zinc/44/86/13/677448613.db2.gz CKUPWPYWWCSANE-WKEGUHRASA-N -1 0 315.303 -0.531 20 0 DBADRM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cn[nH]n2)C1=O ZINC000918319480 677454844 /nfs/dbraw/zinc/45/48/44/677454844.db2.gz ZCFKMWXUOYFFKQ-CYBMUJFWSA-N -1 0 300.278 -0.083 20 0 DBADRM O=C(NCC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1)C1CC1 ZINC001031508459 677460165 /nfs/dbraw/zinc/46/01/65/677460165.db2.gz FXDSDYRYVFXWBE-UHFFFAOYSA-N -1 0 301.350 -0.019 20 0 DBADRM Cc1nnc(CN2CC(CNC(=O)c3[nH]nc(C)c3[O-])C2)o1 ZINC001031617256 677480959 /nfs/dbraw/zinc/48/09/59/677480959.db2.gz BCEDTDQORKUSGC-UHFFFAOYSA-N -1 0 306.326 -0.023 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(Cc3cn(C)nn3)C2)c1[O-] ZINC001031617869 677481016 /nfs/dbraw/zinc/48/10/16/677481016.db2.gz SQTOYBWIDHFURQ-UHFFFAOYSA-N -1 0 305.342 -0.586 20 0 DBADRM O=S(=O)(NCCN1CCC2(C1)OCCO2)c1ncc[n-]1 ZINC000920093651 677489441 /nfs/dbraw/zinc/48/94/41/677489441.db2.gz VAVLZDYRRDZPPT-UHFFFAOYSA-N -1 0 302.356 -0.863 20 0 DBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000920104490 677490359 /nfs/dbraw/zinc/49/03/59/677490359.db2.gz VMZZYDCWZTXNPD-UHFFFAOYSA-N -1 0 313.303 -0.186 20 0 DBADRM CCN1CCC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)CC)C1=O ZINC000921490549 677505680 /nfs/dbraw/zinc/50/56/80/677505680.db2.gz MKRJQFMGKKSRTM-NIVTXAMTSA-N -1 0 311.429 -0.051 20 0 DBADRM CCN1CCC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)CC)C1=O ZINC000921490548 677505756 /nfs/dbraw/zinc/50/57/56/677505756.db2.gz MKRJQFMGKKSRTM-LZVRBXCZSA-N -1 0 311.429 -0.051 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC000994722599 677506074 /nfs/dbraw/zinc/50/60/74/677506074.db2.gz YFBBARSFOFYBRP-KOLCDFICSA-N -1 0 319.369 -0.068 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CC1(Cl)Cl ZINC000175176412 677507454 /nfs/dbraw/zinc/50/74/54/677507454.db2.gz IZBYSPWIPUPGKV-LURJTMIESA-N -1 0 303.167 -0.127 20 0 DBADRM CC(C)[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938348603 677515927 /nfs/dbraw/zinc/51/59/27/677515927.db2.gz FDDJKYSCXAPZKZ-BDAKNGLRSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938349281 677515941 /nfs/dbraw/zinc/51/59/41/677515941.db2.gz CSRJSQKJIOFJFP-FXQIFTODSA-N -1 0 307.310 -0.731 20 0 DBADRM CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938348700 677516019 /nfs/dbraw/zinc/51/60/19/677516019.db2.gz GGCZZAQAQJAYQM-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)[C@@H]2CC23CC3)C1)c1n[nH]c(=O)[n-]c1=O ZINC000938349321 677516053 /nfs/dbraw/zinc/51/60/53/677516053.db2.gz FRKDGAIRCJBKMS-YUMQZZPRSA-N -1 0 319.321 -0.586 20 0 DBADRM CC[C@H](C)C(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938399860 677519612 /nfs/dbraw/zinc/51/96/12/677519612.db2.gz BQCKWAJOOQYGLW-UWVGGRQHSA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@H](C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000938388647 677519991 /nfs/dbraw/zinc/51/99/91/677519991.db2.gz GYSPLDGZSTWFRV-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000938388782 677520039 /nfs/dbraw/zinc/52/00/39/677520039.db2.gz NILAZRNXQPJNFU-QMMMGPOBSA-N -1 0 320.309 -0.952 20 0 DBADRM CC1(C(=O)N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000938388447 677520162 /nfs/dbraw/zinc/52/01/62/677520162.db2.gz UDRWRAQTZMSRJX-QMMMGPOBSA-N -1 0 309.326 -0.794 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938457124 677528329 /nfs/dbraw/zinc/52/83/29/677528329.db2.gz IFNKUIQATOAQGP-GUBZILKMSA-N -1 0 320.349 -0.527 20 0 DBADRM CC(C)(C)C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938720294 677550953 /nfs/dbraw/zinc/55/09/53/677550953.db2.gz POSZXPZDRHSRMH-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM CN(C(=O)C1CC1)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938943318 677564638 /nfs/dbraw/zinc/56/46/38/677564638.db2.gz YOXNYHRIRCWVSF-MRVPVSSYSA-N -1 0 307.310 -0.634 20 0 DBADRM CN(C(=O)C1(C)CC1)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938943250 677564649 /nfs/dbraw/zinc/56/46/49/677564649.db2.gz WMCLFNXXONXROD-MRVPVSSYSA-N -1 0 321.337 -0.244 20 0 DBADRM C[C@@H](c1nnnn1C)N1CC(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001031757127 677564663 /nfs/dbraw/zinc/56/46/63/677564663.db2.gz IJHJOMJRSVDSAX-QMMMGPOBSA-N -1 0 318.341 -0.872 20 0 DBADRM CN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938943319 677564737 /nfs/dbraw/zinc/56/47/37/677564737.db2.gz YOXNYHRIRCWVSF-QMMMGPOBSA-N -1 0 307.310 -0.634 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000939012825 677570161 /nfs/dbraw/zinc/57/01/61/677570161.db2.gz BOAUEEXVKYQYBJ-OPRDCNLKSA-N -1 0 323.353 -0.595 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCCC1 ZINC000939029447 677571263 /nfs/dbraw/zinc/57/12/63/677571263.db2.gz PVPKRSZLKHTMPC-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000939120718 677578463 /nfs/dbraw/zinc/57/84/63/677578463.db2.gz BOAUEEXVKYQYBJ-GUBZILKMSA-N -1 0 323.353 -0.595 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C(=O)c3cnon3)C2)c1[O-] ZINC000939243897 677588751 /nfs/dbraw/zinc/58/87/51/677588751.db2.gz QADRZEFBKZZBTC-MRVPVSSYSA-N -1 0 320.309 -0.207 20 0 DBADRM O=C(NCC1CN(Cc2ccns2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001031816076 677599738 /nfs/dbraw/zinc/59/97/38/677599738.db2.gz WTFZOYNSPBZMQN-UHFFFAOYSA-N -1 0 322.350 -0.399 20 0 DBADRM O=C(NCC1CN(Cc2cccnc2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001031817461 677601997 /nfs/dbraw/zinc/60/19/97/677601997.db2.gz HEOACMBGGRWNKJ-UHFFFAOYSA-N -1 0 316.321 -0.460 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccoc1 ZINC000939408013 677606582 /nfs/dbraw/zinc/60/65/82/677606582.db2.gz DSDNDZHIAOFECA-MRVPVSSYSA-N -1 0 319.277 -0.480 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000939470905 677609077 /nfs/dbraw/zinc/60/90/77/677609077.db2.gz IKZQDIJAFXJVSM-SECBINFHSA-N -1 0 323.353 -0.412 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@H](O)C(C)C)C2)c1[O-] ZINC000940043024 677645282 /nfs/dbraw/zinc/64/52/82/677645282.db2.gz UBIBIYOKXAIPKA-MWLCHTKSSA-N -1 0 310.354 -0.229 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3n[nH]nc3C)C2)c1[O-] ZINC000940047715 677645612 /nfs/dbraw/zinc/64/56/12/677645612.db2.gz OQHZJQBLXXVICR-MRVPVSSYSA-N -1 0 319.325 -0.505 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCOC3)C2)c1[O-] ZINC000940038592 677645871 /nfs/dbraw/zinc/64/58/71/677645871.db2.gz GWBGFOZWWRYAIC-VHSXEESVSA-N -1 0 308.338 -0.209 20 0 DBADRM NC(=O)c1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001031872649 677650487 /nfs/dbraw/zinc/65/04/87/677650487.db2.gz OBDAISHQMKNXSX-UHFFFAOYSA-N -1 0 320.309 -0.936 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3ncc[nH]3)C2)c1[O-] ZINC000940304200 677660138 /nfs/dbraw/zinc/66/01/38/677660138.db2.gz DRKHJRVBNWNBFD-MRVPVSSYSA-N -1 0 304.310 -0.209 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)C2CC2)C1)c1c[n-]n2c1nccc2=O ZINC000940495436 677669189 /nfs/dbraw/zinc/66/91/89/677669189.db2.gz CCWLCADCTFDLDT-SNVBAGLBSA-N -1 0 315.333 -0.237 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)c[nH]1 ZINC000070419082 677705282 /nfs/dbraw/zinc/70/52/82/677705282.db2.gz VQHXYHSWOVCCHS-UHFFFAOYSA-N -1 0 303.340 -0.028 20 0 DBADRM CC1(C(=O)N[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000940909170 677726475 /nfs/dbraw/zinc/72/64/75/677726475.db2.gz NRMHKDJETZZDNI-SSDOTTSWSA-N -1 0 307.310 -0.586 20 0 DBADRM O=C(CCc1cnccn1)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000941446407 677805361 /nfs/dbraw/zinc/80/53/61/677805361.db2.gz QHHVIHIZDMRDTA-LLVKDONJSA-N -1 0 315.337 -0.442 20 0 DBADRM Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)c(C)nn1 ZINC000941446359 677805687 /nfs/dbraw/zinc/80/56/87/677805687.db2.gz OCVGAQQOVSKDQL-SNVBAGLBSA-N -1 0 315.337 -0.144 20 0 DBADRM COc1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)ncn1 ZINC000941446490 677805760 /nfs/dbraw/zinc/80/57/60/677805760.db2.gz UZJHQMDLDKIQDJ-MRVPVSSYSA-N -1 0 317.309 -0.752 20 0 DBADRM COc1nccc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)n1 ZINC000941446537 677805870 /nfs/dbraw/zinc/80/58/70/677805870.db2.gz WVPQDYCUZMRSOE-MRVPVSSYSA-N -1 0 317.309 -0.752 20 0 DBADRM CO[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941546061 677823625 /nfs/dbraw/zinc/82/36/25/677823625.db2.gz DXADWOUOADQUBP-NXEZZACHSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cnn(C)n3)C2)c1[O-] ZINC000941556359 677825173 /nfs/dbraw/zinc/82/51/73/677825173.db2.gz NCWFFBLIMAELAV-MRVPVSSYSA-N -1 0 319.325 -0.803 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cnccn1 ZINC000941770359 677848726 /nfs/dbraw/zinc/84/87/26/677848726.db2.gz XJLWYWPVVSPHMY-VHSXEESVSA-N -1 0 317.353 -0.059 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941788590 677848830 /nfs/dbraw/zinc/84/88/30/677848830.db2.gz GHEABOYZGUTTRR-HTQZYQBOSA-N -1 0 321.337 -0.340 20 0 DBADRM CCC1(C(=O)N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000941789123 677848900 /nfs/dbraw/zinc/84/89/00/677848900.db2.gz QMRWLWXBFMACHQ-MRVPVSSYSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cnn(C)c1 ZINC000941799163 677851306 /nfs/dbraw/zinc/85/13/06/677851306.db2.gz MOOQSGWUCHRROB-GXSJLCMTSA-N -1 0 319.369 -0.116 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cnn(C)c1 ZINC000941799165 677851601 /nfs/dbraw/zinc/85/16/01/677851601.db2.gz MOOQSGWUCHRROB-MWLCHTKSSA-N -1 0 319.369 -0.116 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2ccoc2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000941792610 677852411 /nfs/dbraw/zinc/85/24/11/677852411.db2.gz SCWOJBUZIPEHKU-MRVPVSSYSA-N -1 0 319.277 -0.480 20 0 DBADRM CC[C@@H](F)C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941792614 677852655 /nfs/dbraw/zinc/85/26/55/677852655.db2.gz SHFYMHXCCKTPME-RNFRBKRXSA-N -1 0 313.289 -0.638 20 0 DBADRM CC[C@H](C)C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941792711 677852741 /nfs/dbraw/zinc/85/27/41/677852741.db2.gz WUAUBWGNFPGDJM-JGVFFNPUSA-N -1 0 309.326 -0.340 20 0 DBADRM O=C(NC1CN(C(=O)c2cc3n(n2)CCC3)C1)c1cn[nH]n1 ZINC000995177826 677853018 /nfs/dbraw/zinc/85/30/18/677853018.db2.gz DVESOUNWZIOMQC-UHFFFAOYSA-N -1 0 301.310 -0.798 20 0 DBADRM Cc1nccc(CCC(=O)N2CC(NC(=O)c3cn[nH]n3)C2)n1 ZINC000995177634 677853219 /nfs/dbraw/zinc/85/32/19/677853219.db2.gz ALSQGHXBMCMBMS-UHFFFAOYSA-N -1 0 315.337 -0.523 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1ccn[nH]1 ZINC000941847980 677854930 /nfs/dbraw/zinc/85/49/30/677854930.db2.gz VVDZNSNLMOJBNN-DTWKUNHWSA-N -1 0 305.342 -0.126 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1ccnn1C ZINC000941876261 677860211 /nfs/dbraw/zinc/86/02/11/677860211.db2.gz FGCXNXAJKXQRCU-ZJUUUORDSA-N -1 0 319.369 -0.116 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)Cc1cc[nH]n1 ZINC000941914977 677862427 /nfs/dbraw/zinc/86/24/27/677862427.db2.gz BILGFQRQKOQJRM-MWLCHTKSSA-N -1 0 319.369 -0.197 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)CCC2CC2)C1 ZINC000941934614 677862625 /nfs/dbraw/zinc/86/26/25/677862625.db2.gz UOVPSCCXROWFLO-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cn(C)nn1 ZINC000942021103 677876281 /nfs/dbraw/zinc/87/62/81/677876281.db2.gz QQRDWSVAVHXAQV-RKDXNWHRSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1ncc[nH]1 ZINC000942029668 677876959 /nfs/dbraw/zinc/87/69/59/677876959.db2.gz PCFNNIUYOCUYKU-DTWKUNHWSA-N -1 0 305.342 -0.126 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)Cn1nccn1 ZINC000942085887 677882266 /nfs/dbraw/zinc/88/22/66/677882266.db2.gz FEGRTTCQYHWZTK-NXEZZACHSA-N -1 0 320.357 -0.871 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3ccnnc3)C2)c1[O-] ZINC000942501267 677940136 /nfs/dbraw/zinc/94/01/36/677940136.db2.gz IBUPJDDZMHNJPR-SNVBAGLBSA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000942550949 677943710 /nfs/dbraw/zinc/94/37/10/677943710.db2.gz MXGNKEDHKOJPTI-CBAPKCEASA-N -1 0 320.357 -0.423 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000942565616 677945804 /nfs/dbraw/zinc/94/58/04/677945804.db2.gz OGQGAANGSBUEPK-XPORZQOISA-N -1 0 321.381 -0.271 20 0 DBADRM CCN(C(C)=O)[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000942611564 677952710 /nfs/dbraw/zinc/95/27/10/677952710.db2.gz CXHFAQNWMUMSDA-SNVBAGLBSA-N -1 0 323.353 -0.315 20 0 DBADRM CCN(C(C)=O)[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000942621699 677954253 /nfs/dbraw/zinc/95/42/53/677954253.db2.gz MWGHBBACFQLYBN-SNVBAGLBSA-N -1 0 308.338 -0.431 20 0 DBADRM CCC(=O)N[C@@H]1CCCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000942999354 677974834 /nfs/dbraw/zinc/97/48/34/677974834.db2.gz DRNLAGPNSOBVFT-MRVPVSSYSA-N -1 0 309.326 -0.196 20 0 DBADRM CO[C@@H]1CN(C(C)=O)C[C@H]1NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000943537949 678003081 /nfs/dbraw/zinc/00/30/81/678003081.db2.gz OJAZZCPZXDATKA-MWLCHTKSSA-N -1 0 320.305 -0.096 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cnn(C)n1 ZINC000943582717 678005639 /nfs/dbraw/zinc/00/56/39/678005639.db2.gz VBWFAFRMYUYRMU-IUCAKERBSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000944161046 678060162 /nfs/dbraw/zinc/06/01/62/678060162.db2.gz OGEPOZJTCCIJHO-IWSPIJDZSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(NCCN1C(=O)CNC1=O)c1n[n-]c2ccccc2c1=O ZINC000733365584 678119582 /nfs/dbraw/zinc/11/95/82/678119582.db2.gz OMGQJXPODGDZAN-UHFFFAOYSA-N -1 0 315.289 -0.383 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H](C)C1 ZINC000945075327 678141287 /nfs/dbraw/zinc/14/12/87/678141287.db2.gz XFNHRJILOJXMQS-KOLCDFICSA-N -1 0 322.365 -0.137 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC000945074775 678141416 /nfs/dbraw/zinc/14/14/16/678141416.db2.gz AOFOIJYQAFFDLW-SFYZADRCSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000945312223 678149603 /nfs/dbraw/zinc/14/96/03/678149603.db2.gz SMPMWSVWUCYHGA-DTWKUNHWSA-N -1 0 318.341 -0.786 20 0 DBADRM CCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000945428766 678155194 /nfs/dbraw/zinc/15/51/94/678155194.db2.gz KBMIQGBNZBNMOI-HTQZYQBOSA-N -1 0 309.326 -0.340 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC000945433472 678155527 /nfs/dbraw/zinc/15/55/27/678155527.db2.gz RWTIXVDLOSISLX-IUCAKERBSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000945549765 678165090 /nfs/dbraw/zinc/16/50/90/678165090.db2.gz BFRCFFHULBMNLR-ONGXEEELSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000945789911 678175185 /nfs/dbraw/zinc/17/51/85/678175185.db2.gz SHWVEPZCIWAGRT-CBAPKCEASA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@@H]21 ZINC000945995309 678190970 /nfs/dbraw/zinc/19/09/70/678190970.db2.gz HDFSTGJKLUCOOB-IUCAKERBSA-N -1 0 307.310 -0.634 20 0 DBADRM CC(=O)N1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)CC[C@@H]21 ZINC000946007993 678191890 /nfs/dbraw/zinc/19/18/90/678191890.db2.gz YMGIKXVOTMYOIQ-PWSUYJOCSA-N -1 0 320.349 -0.431 20 0 DBADRM Cn1cccc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032283974 678192066 /nfs/dbraw/zinc/19/20/66/678192066.db2.gz CMKVQEAFGSNOJX-UWVGGRQHSA-N -1 0 302.338 -0.052 20 0 DBADRM CCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000946060859 678197803 /nfs/dbraw/zinc/19/78/03/678197803.db2.gz QQDUFAATBJIGAD-GXSJLCMTSA-N -1 0 322.365 -0.089 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCCCN1CCOC1=O ZINC000733492161 678222749 /nfs/dbraw/zinc/22/27/49/678222749.db2.gz ILBJFKNMWHKUSW-UHFFFAOYSA-N -1 0 321.293 -0.543 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cc(F)c[nH]1 ZINC000996217414 678227035 /nfs/dbraw/zinc/22/70/35/678227035.db2.gz XITAIIWPZGNGKE-UHFFFAOYSA-N -1 0 322.256 -0.996 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000733704077 678254350 /nfs/dbraw/zinc/25/43/50/678254350.db2.gz LMLVPIAVGNPZHH-SNVBAGLBSA-N -1 0 324.424 -0.344 20 0 DBADRM O=C(CCNC(=O)c1ccco1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733720783 678255615 /nfs/dbraw/zinc/25/56/15/678255615.db2.gz WAKSPMXCAMITGS-SECBINFHSA-N -1 0 316.335 -0.366 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000733719245 678255838 /nfs/dbraw/zinc/25/58/38/678255838.db2.gz YGFHWICYMYCVAS-BDAKNGLRSA-N -1 0 304.368 -0.522 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000733719248 678255882 /nfs/dbraw/zinc/25/58/82/678255882.db2.gz YGFHWICYMYCVAS-IUCAKERBSA-N -1 0 304.368 -0.522 20 0 DBADRM CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)C1CCCC1 ZINC000733721674 678256367 /nfs/dbraw/zinc/25/63/67/678256367.db2.gz CNZHOLAVBNTLPA-NEPJUHHUSA-N -1 0 318.395 -0.084 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCOc1cccnc1 ZINC000733942117 678267694 /nfs/dbraw/zinc/26/76/94/678267694.db2.gz ZXZARWBDXTXDBW-UHFFFAOYSA-N -1 0 314.305 -0.339 20 0 DBADRM COCCN(CC(=O)[N-]S(C)(=O)=O)C(=O)OC(C)(C)C ZINC000734080233 678272513 /nfs/dbraw/zinc/27/25/13/678272513.db2.gz MVJFOWHSCNJDFJ-UHFFFAOYSA-N -1 0 310.372 -0.054 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)COc1cc(C)on1 ZINC000734090857 678275051 /nfs/dbraw/zinc/27/50/51/678275051.db2.gz XZXUMQASNCRLCD-UHFFFAOYSA-N -1 0 320.323 -0.239 20 0 DBADRM CC[C@@]1(C)C[C@H]1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996737951 678288163 /nfs/dbraw/zinc/28/81/63/678288163.db2.gz XDBFLIVLNUWZQX-RTHLEPHNSA-N -1 0 321.337 -0.340 20 0 DBADRM NC(=O)C1(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCCC1 ZINC000734464489 678288601 /nfs/dbraw/zinc/28/86/01/678288601.db2.gz LUCMBSUQCPOANM-UHFFFAOYSA-N -1 0 318.337 -0.767 20 0 DBADRM CC1(C)CC(C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000996736283 678290162 /nfs/dbraw/zinc/29/01/62/678290162.db2.gz QWKQCHHOUAGRCV-UHFFFAOYSA-N -1 0 321.337 -0.340 20 0 DBADRM CC1CC(C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000996735097 678290326 /nfs/dbraw/zinc/29/03/26/678290326.db2.gz JRAKGZTZGQUGNW-UHFFFAOYSA-N -1 0 307.310 -0.731 20 0 DBADRM O=C(C[C@H]1C=CCC1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996745332 678290967 /nfs/dbraw/zinc/29/09/67/678290967.db2.gz NFCLDNYWRMCIFZ-QMMMGPOBSA-N -1 0 319.321 -0.420 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996742293 678291015 /nfs/dbraw/zinc/29/10/15/678291015.db2.gz CCMPTQAOBUJKCD-HTRCEHHLSA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996746897 678291583 /nfs/dbraw/zinc/29/15/83/678291583.db2.gz WFNJQXAEWQEUCM-NKWVEPMBSA-N -1 0 307.310 -0.731 20 0 DBADRM Cc1c(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)nnn1C ZINC001032328420 678305648 /nfs/dbraw/zinc/30/56/48/678305648.db2.gz RCWQLINKZBUMHU-IUCAKERBSA-N -1 0 318.341 -0.954 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1ccccn1 ZINC000734965604 678306342 /nfs/dbraw/zinc/30/63/42/678306342.db2.gz SRXDYJBOIDBOGI-UHFFFAOYSA-N -1 0 311.319 -0.574 20 0 DBADRM O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000735521099 678333598 /nfs/dbraw/zinc/33/35/98/678333598.db2.gz XCACRAHPSCHBTL-NSHDSACASA-N -1 0 304.306 -0.237 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@@H]2CCCNC2=O)c1[O-] ZINC001032355417 678341677 /nfs/dbraw/zinc/34/16/77/678341677.db2.gz CCMCLKUGSBVHNK-GARJFASQSA-N -1 0 319.365 -0.399 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)OC ZINC000735771359 678345383 /nfs/dbraw/zinc/34/53/83/678345383.db2.gz GJXNLKSJEUWIJS-RKDXNWHRSA-N -1 0 308.356 -0.590 20 0 DBADRM C[C@](O)(CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001032361543 678347749 /nfs/dbraw/zinc/34/77/49/678347749.db2.gz RKUVFJWGZNTDTD-PGUXBMHVSA-N -1 0 321.381 -0.154 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCNC(N)=O ZINC000736110195 678368786 /nfs/dbraw/zinc/36/87/86/678368786.db2.gz JXGBJMZVVFHGTL-UHFFFAOYSA-N -1 0 300.340 -0.544 20 0 DBADRM CCn1nccc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032372315 678372637 /nfs/dbraw/zinc/37/26/37/678372637.db2.gz WYOWDSLZPUCFPG-UWVGGRQHSA-N -1 0 317.353 -0.174 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1)C(N)=O ZINC000736156141 678373034 /nfs/dbraw/zinc/37/30/34/678373034.db2.gz RJKACBHTEHKCKN-LBPRGKRZSA-N -1 0 321.333 -0.520 20 0 DBADRM Cn1nccc1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032376087 678376313 /nfs/dbraw/zinc/37/63/13/678376313.db2.gz GFWSPSPJBNCHGS-QWRGUYRKSA-N -1 0 317.353 -0.728 20 0 DBADRM O=C(NC1CN(C(=O)c2ncccc2O)C1)[C@@H]1CCC(=O)N1 ZINC000997105047 678379682 /nfs/dbraw/zinc/37/96/82/678379682.db2.gz CBTAAESZOZHDPO-VIFPVBQESA-N -1 0 304.306 -0.994 20 0 DBADRM C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000736540046 678403393 /nfs/dbraw/zinc/40/33/93/678403393.db2.gz DCYAGERYQYTBNQ-WCQGTBRESA-N -1 0 322.365 -0.266 20 0 DBADRM C[C@@H](CN(C)C(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000736569474 678408990 /nfs/dbraw/zinc/40/89/90/678408990.db2.gz RZBFVOFMOVGMNM-QMMMGPOBSA-N -1 0 307.372 -0.919 20 0 DBADRM NC(=O)CNC(=O)c1ccc(OS(=O)(=O)c2cnc[n-]2)cc1 ZINC000736631862 678414506 /nfs/dbraw/zinc/41/45/06/678414506.db2.gz KOSZASZPIGWIIB-UHFFFAOYSA-N -1 0 324.318 -0.608 20 0 DBADRM CC1(C)CC[C@@H]1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997258229 678423566 /nfs/dbraw/zinc/42/35/66/678423566.db2.gz LKIIKQGOPSIEEY-SECBINFHSA-N -1 0 323.353 -0.548 20 0 DBADRM CC[C@]1(C)C[C@H]1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997258470 678423741 /nfs/dbraw/zinc/42/37/41/678423741.db2.gz PUKVARJTCHDQIV-LKFCYVNXSA-N -1 0 323.353 -0.548 20 0 DBADRM C/C(=C/C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000997262355 678424266 /nfs/dbraw/zinc/42/42/66/678424266.db2.gz BRMNTAMEFHRJCE-YWEYNIOJSA-N -1 0 321.337 -0.627 20 0 DBADRM C[C@H](C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1)C1CC1 ZINC000997362657 678435293 /nfs/dbraw/zinc/43/52/93/678435293.db2.gz WRKRUGDDBAIOLM-QMMMGPOBSA-N -1 0 320.349 -0.527 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997363050 678435469 /nfs/dbraw/zinc/43/54/69/678435469.db2.gz YHUJHAQTQZUIKJ-IUCAKERBSA-N -1 0 320.349 -0.527 20 0 DBADRM O=C(CCc1c[nH]cn1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032436604 678437601 /nfs/dbraw/zinc/43/76/01/678437601.db2.gz GWRQNMZYKKVJGC-QWRGUYRKSA-N -1 0 317.353 -0.349 20 0 DBADRM C[C@@H]1C(=O)NCCN1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000736749304 678443345 /nfs/dbraw/zinc/44/33/45/678443345.db2.gz XMSXAVBMSDVBEO-ZYHUDNBSSA-N -1 0 308.334 -0.055 20 0 DBADRM O=C(Cc1cncs1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032462442 678444631 /nfs/dbraw/zinc/44/46/31/678444631.db2.gz PUWJYNZSNFEYTK-IUCAKERBSA-N -1 0 320.378 -0.005 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000888328385 678463619 /nfs/dbraw/zinc/46/36/19/678463619.db2.gz LRKJBYJPKSTWRZ-UHFFFAOYSA-N -1 0 307.236 -0.689 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCOC2(CCOCC2)CC1 ZINC000888329663 678463765 /nfs/dbraw/zinc/46/37/65/678463765.db2.gz HQAQRSSDMYQGNP-UHFFFAOYSA-N -1 0 310.358 -0.082 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H](C)CO3)C2)c1[O-] ZINC000997494988 678470009 /nfs/dbraw/zinc/47/00/09/678470009.db2.gz MJSOXXIIHQYPPO-GMSGAONNSA-N -1 0 308.338 -0.211 20 0 DBADRM C/C=C(/C)C(=O)N1CCC(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000946222254 678477843 /nfs/dbraw/zinc/47/78/43/678477843.db2.gz GXXFMOGGUYYWGJ-OQFOIZHKSA-N -1 0 323.353 -0.237 20 0 DBADRM CC[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(=O)[n-]c1=O)OC ZINC001032499022 678478224 /nfs/dbraw/zinc/47/82/24/678478224.db2.gz PHYCPHLRKLYMEO-GUBZILKMSA-N -1 0 323.353 -0.394 20 0 DBADRM CC[C@H](F)CN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001032499341 678479163 /nfs/dbraw/zinc/47/91/63/678479163.db2.gz YAYZMCFEHOEELN-CIUDSAMLSA-N -1 0 311.317 -0.070 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCC[C@@H]1CNC(=O)C1CC1 ZINC000946256617 678485964 /nfs/dbraw/zinc/48/59/64/678485964.db2.gz DKJWMWFRPYYDNZ-ZJUUUORDSA-N -1 0 323.353 -0.500 20 0 DBADRM CC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000946265397 678492773 /nfs/dbraw/zinc/49/27/73/678492773.db2.gz DQUXCIGNJKYVGW-GXSJLCMTSA-N -1 0 308.338 -0.480 20 0 DBADRM CC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000946346785 678515872 /nfs/dbraw/zinc/51/58/72/678515872.db2.gz YCWVMUYUNGGJQT-DTWKUNHWSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000946410837 678531228 /nfs/dbraw/zinc/53/12/28/678531228.db2.gz MBWOAHKYIXAHNT-ZJUUUORDSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)c1[O-] ZINC000946428099 678535940 /nfs/dbraw/zinc/53/59/40/678535940.db2.gz NIGXEQWZPKJZNI-DTWKUNHWSA-N -1 0 323.353 -0.686 20 0 DBADRM O=C(N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1)[C@]1(F)CCOC1 ZINC001032586463 678542954 /nfs/dbraw/zinc/54/29/54/678542954.db2.gz WMIALWMWZKGIFA-RVBZMBCESA-N -1 0 311.317 -0.576 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@H]3CCO[C@H]3C)C2)c1[O-] ZINC000998397939 678595612 /nfs/dbraw/zinc/59/56/12/678595612.db2.gz MIEXFTOTTMHGOH-WPRPVWTQSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1nc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)[nH]1 ZINC001032634730 678607000 /nfs/dbraw/zinc/60/70/00/678607000.db2.gz UPEDMDXETPJHCX-UWVGGRQHSA-N -1 0 317.353 -0.051 20 0 DBADRM Cc1nc(C(=O)N(C)C2CC([NH2+]Cc3nc(=O)n(C)[nH]3)C2)co1 ZINC000998677142 678627737 /nfs/dbraw/zinc/62/77/37/678627737.db2.gz POLVZYBQQAFRBG-UHFFFAOYSA-N -1 0 320.353 -0.202 20 0 DBADRM CN(C(=O)[C@]12C[C@H]1COC2)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000998797326 678648667 /nfs/dbraw/zinc/64/86/67/678648667.db2.gz OKFCRYSUORMJIN-UDQFVRRFSA-N -1 0 321.381 -0.776 20 0 DBADRM CC(C)[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000998818888 678649787 /nfs/dbraw/zinc/64/97/87/678649787.db2.gz SVMQULPHEKVSEN-BDAKNGLRSA-N -1 0 321.337 -0.485 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](NCc3nnnn3C)C2)c1[O-] ZINC000998952118 678658490 /nfs/dbraw/zinc/65/84/90/678658490.db2.gz GULIRFXMSVTMCD-VIFPVBQESA-N -1 0 320.357 -0.658 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](NCc3nnn(C)n3)C2)c1[O-] ZINC000998956312 678661292 /nfs/dbraw/zinc/66/12/92/678661292.db2.gz URFZLXAGOGUMNA-VIFPVBQESA-N -1 0 320.357 -0.658 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC1 ZINC000999029059 678666263 /nfs/dbraw/zinc/66/62/63/678666263.db2.gz JJKBTJZVVYNECW-UTLUCORTSA-N -1 0 321.337 -0.653 20 0 DBADRM CC1(C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC=CC1 ZINC000999057324 678668288 /nfs/dbraw/zinc/66/82/88/678668288.db2.gz OTYDUAZAOZNGEV-UHFFFAOYSA-N -1 0 321.337 -0.627 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000999080654 678670647 /nfs/dbraw/zinc/67/06/47/678670647.db2.gz VJVGYACTFUIXBR-RKDXNWHRSA-N -1 0 320.349 -0.527 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1C[C@@H]2C[C@H]1CN2CCF ZINC001032670477 678690569 /nfs/dbraw/zinc/69/05/69/678690569.db2.gz CNTLEPPPAHHZMA-UWVGGRQHSA-N -1 0 305.313 -0.109 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000921687902 678772389 /nfs/dbraw/zinc/77/23/89/678772389.db2.gz NLKMXZVJVYASGX-UHFFFAOYSA-N -1 0 300.336 -0.033 20 0 DBADRM COCC(=O)N1CC(NC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC001000249195 678828539 /nfs/dbraw/zinc/82/85/39/678828539.db2.gz ZOAAZUNHXRNIGF-UHFFFAOYSA-N -1 0 316.317 -0.078 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001000292307 678831271 /nfs/dbraw/zinc/83/12/71/678831271.db2.gz KRGSEPQCUWZBBZ-HTRCEHHLSA-N -1 0 307.310 -0.731 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCC[C@H]([NH2+]CCF)C1 ZINC001000478303 678845447 /nfs/dbraw/zinc/84/54/47/678845447.db2.gz DHTKHPNGOUVMDP-JTQLQIEISA-N -1 0 322.344 -0.379 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cn[nH]c1 ZINC001000470624 678846154 /nfs/dbraw/zinc/84/61/54/678846154.db2.gz NECILYQEHAVQEM-UHFFFAOYSA-N -1 0 303.326 -0.205 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)[C@@H]3CCOC3)C2)c1[O-] ZINC001001113780 678905644 /nfs/dbraw/zinc/90/56/44/678905644.db2.gz NQJJRALGHGJIQV-SNVBAGLBSA-N -1 0 308.338 -0.352 20 0 DBADRM CC(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001001402125 678929397 /nfs/dbraw/zinc/92/93/97/678929397.db2.gz MVTYTNBQWIXXBR-HLTSFMKQSA-N -1 0 321.337 -0.200 20 0 DBADRM Cn1cnc(C(=O)NCC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001001376886 678929919 /nfs/dbraw/zinc/92/99/19/678929919.db2.gz VEDBCXMQRQRIDX-UHFFFAOYSA-N -1 0 320.357 -0.719 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3ccnn3C)C2)c1[O-] ZINC001001452316 678936280 /nfs/dbraw/zinc/93/62/80/678936280.db2.gz DDRADAVWDZZXKX-UHFFFAOYSA-N -1 0 318.337 -0.341 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3[nH]cnc3C)C2)c1[O-] ZINC001001452609 678936348 /nfs/dbraw/zinc/93/63/48/678936348.db2.gz PLCMRFOEDSWNJC-UHFFFAOYSA-N -1 0 318.337 -0.043 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)C3=CCOCC3)C2)c1[O-] ZINC001001543027 678940476 /nfs/dbraw/zinc/94/04/76/678940476.db2.gz DVTKJNHERHGSQB-UHFFFAOYSA-N -1 0 320.349 -0.041 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)C1CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001002016814 678967028 /nfs/dbraw/zinc/96/70/28/678967028.db2.gz XXXNNIZMXLYAAA-SECBINFHSA-N -1 0 321.337 -0.244 20 0 DBADRM Cn1ccc(C(=O)NCC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001002124594 678969821 /nfs/dbraw/zinc/96/98/21/678969821.db2.gz GPIXEJCINSFALV-UHFFFAOYSA-N -1 0 319.369 -0.114 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCO[C@@H]1CCOC1 ZINC000921879838 678975174 /nfs/dbraw/zinc/97/51/74/678975174.db2.gz FLWWHROECBPVQR-XLFHBGCDSA-N -1 0 300.402 -0.256 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)[C@]34C[C@H]3COC4)C2)c1[O-] ZINC001002395298 678980572 /nfs/dbraw/zinc/98/05/72/678980572.db2.gz PMCWGCXGJWJQEI-BONVTDFDSA-N -1 0 320.349 -0.352 20 0 DBADRM Cc1cnn(CC(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1 ZINC001002406075 678980901 /nfs/dbraw/zinc/98/09/01/678980901.db2.gz BSPHLMMUYQNPMH-UHFFFAOYSA-N -1 0 319.369 -0.204 20 0 DBADRM Cc1cc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)[nH]n1 ZINC001002416841 678981495 /nfs/dbraw/zinc/98/14/95/678981495.db2.gz HNLOEWWFHGCHGH-UHFFFAOYSA-N -1 0 305.342 -0.064 20 0 DBADRM O=C(NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cc[nH]c1 ZINC001002424254 678981611 /nfs/dbraw/zinc/98/16/11/678981611.db2.gz KKOKZQOEUNTZOY-UHFFFAOYSA-N -1 0 318.293 -0.887 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002608821 678991174 /nfs/dbraw/zinc/99/11/74/678991174.db2.gz KHKFWVLZCDESJM-SECBINFHSA-N -1 0 323.353 -0.456 20 0 DBADRM C[C@H](C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)n1cncn1 ZINC001002634904 678992706 /nfs/dbraw/zinc/99/27/06/678992706.db2.gz SLJXQWNOXDRSNL-SECBINFHSA-N -1 0 320.357 -0.556 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cncnc1 ZINC001002651745 678994107 /nfs/dbraw/zinc/99/41/07/678994107.db2.gz DQBTYWKBEDLPEO-UHFFFAOYSA-N -1 0 303.326 -0.305 20 0 DBADRM Cn1cnc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001002750569 679000370 /nfs/dbraw/zinc/00/03/70/679000370.db2.gz ZWSXVNNRTYECLD-UHFFFAOYSA-N -1 0 306.330 -0.967 20 0 DBADRM CN1C[C@H](C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1=O ZINC001002950659 679012366 /nfs/dbraw/zinc/01/23/66/679012366.db2.gz RVOONGHXZBVJJW-SECBINFHSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCCC(=O)N1 ZINC001003092186 679022372 /nfs/dbraw/zinc/02/23/72/679022372.db2.gz MUTLCIKVMSFDQR-SNVBAGLBSA-N -1 0 322.369 -0.740 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnc[nH]c1=O ZINC001003108699 679023674 /nfs/dbraw/zinc/02/36/74/679023674.db2.gz XQVGMVIZEOFELO-UHFFFAOYSA-N -1 0 319.325 -0.600 20 0 DBADRM Cc1cncn1CC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003319510 679032909 /nfs/dbraw/zinc/03/29/09/679032909.db2.gz VGSJRFIGVGVEJH-UHFFFAOYSA-N -1 0 319.369 -0.204 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001038089743 679035561 /nfs/dbraw/zinc/03/55/61/679035561.db2.gz NTSZHEZUPIVJOK-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM CC(C)[C@@H](C)C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003391616 679037565 /nfs/dbraw/zinc/03/75/65/679037565.db2.gz ORWQFYALXIBZJB-MRVPVSSYSA-N -1 0 323.353 -0.237 20 0 DBADRM CCC1(C(=O)N2CC(CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001003390524 679037600 /nfs/dbraw/zinc/03/76/00/679037600.db2.gz BBOGQPVEQQCAJU-UHFFFAOYSA-N -1 0 321.337 -0.339 20 0 DBADRM CC1(C)C[C@H]1C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003393116 679038007 /nfs/dbraw/zinc/03/80/07/679038007.db2.gz GOOYQGTXILSIQZ-QMMMGPOBSA-N -1 0 321.337 -0.483 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001003461544 679041539 /nfs/dbraw/zinc/04/15/39/679041539.db2.gz VBKMWWTTXZSFDS-IAZYJMLFSA-N -1 0 307.354 -0.517 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccnnc1 ZINC001003690318 679058879 /nfs/dbraw/zinc/05/88/79/679058879.db2.gz SVFHZXIKJSQVHS-UHFFFAOYSA-N -1 0 303.326 -0.305 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NCC1CN(C(=O)c2cnco2)C1 ZINC001003767943 679065250 /nfs/dbraw/zinc/06/52/50/679065250.db2.gz HSULZOJUKMHBCO-UHFFFAOYSA-N -1 0 317.305 -0.019 20 0 DBADRM CN(C(=O)Cn1cccn1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032904915 679077048 /nfs/dbraw/zinc/07/70/48/679077048.db2.gz JTIGJPXQGQWLCH-SNVBAGLBSA-N -1 0 305.342 -0.560 20 0 DBADRM CN(C(=O)CN1CCCC1=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032906047 679077606 /nfs/dbraw/zinc/07/76/06/679077606.db2.gz QAMYBROLLATXQU-SNVBAGLBSA-N -1 0 322.369 -0.835 20 0 DBADRM CN(C(=O)c1cnn(C)c1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032908113 679077779 /nfs/dbraw/zinc/07/77/79/679077779.db2.gz UWMDNAHZASMLQQ-JTQLQIEISA-N -1 0 305.342 -0.410 20 0 DBADRM Cc1nc(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c[nH]1 ZINC001032961858 679087780 /nfs/dbraw/zinc/08/77/80/679087780.db2.gz URYORWNTAJGFBE-VIFPVBQESA-N -1 0 305.342 -0.112 20 0 DBADRM CN(C(=O)C[C@@H]1CCOC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032967464 679088796 /nfs/dbraw/zinc/08/87/96/679088796.db2.gz MDGHTILVHWXZQN-QWRGUYRKSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(Cc3nnnn3C)C2)c1[O-] ZINC001033011250 679098599 /nfs/dbraw/zinc/09/85/99/679098599.db2.gz ZXKOFEWRCVUTJA-SECBINFHSA-N -1 0 320.357 -0.706 20 0 DBADRM CN(C(=O)C[C@H]1COC(=O)C1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033009855 679099105 /nfs/dbraw/zinc/09/91/05/679099105.db2.gz JNIXDQZLHNEWAO-ZJUUUORDSA-N -1 0 323.353 -0.504 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CCN(Cc2ccon2)CC1 ZINC001004058564 679101639 /nfs/dbraw/zinc/10/16/39/679101639.db2.gz KVRBLDIORCUHEY-UHFFFAOYSA-N -1 0 322.325 -0.542 20 0 DBADRM CN(C(=O)Cc1ccnn1C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033046499 679110293 /nfs/dbraw/zinc/11/02/93/679110293.db2.gz KFOANZAEIUMDCN-LLVKDONJSA-N -1 0 319.369 -0.481 20 0 DBADRM CC(=O)NC1CCC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001004161836 679111873 /nfs/dbraw/zinc/11/18/73/679111873.db2.gz HHVSNKDJMSTOOC-UHFFFAOYSA-N -1 0 311.342 -0.405 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001295699323 805584657 /nfs/dbraw/zinc/58/46/57/805584657.db2.gz DSTFSDNXUWJQEJ-KSXVILFYSA-N -1 0 323.353 -0.380 20 0 DBADRM C/C=C(/C)C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001295735792 805588411 /nfs/dbraw/zinc/58/84/11/805588411.db2.gz FUPWDMAZARMDSX-CHDHTGKKSA-N -1 0 321.337 -0.173 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)N(C)C(C)C)CC1=O ZINC000842302309 805589814 /nfs/dbraw/zinc/58/98/14/805589814.db2.gz KBEKTBJIZSDODO-SNVBAGLBSA-N -1 0 305.400 -0.054 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)CC1=O ZINC000842331588 805591129 /nfs/dbraw/zinc/59/11/29/805591129.db2.gz GYHIHQXOLWEMBA-MNOVXSKESA-N -1 0 318.395 -0.130 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)C2(COC)CC2)CC1=O ZINC000842362670 805592599 /nfs/dbraw/zinc/59/25/99/805592599.db2.gz NRNDUYNICHRVGQ-JTQLQIEISA-N -1 0 318.395 -0.130 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2)S1(=O)=O ZINC000842673144 805595813 /nfs/dbraw/zinc/59/58/13/805595813.db2.gz FNJJWEPQJRFXLD-JTQLQIEISA-N -1 0 318.376 -0.475 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cc[n+]([O-])cc1 ZINC000842676231 805595825 /nfs/dbraw/zinc/59/58/25/805595825.db2.gz LZAUCDZIJDYRAA-UHFFFAOYSA-N -1 0 310.335 -0.211 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)COCC(=O)OC(C)(C)C ZINC000842722105 805597889 /nfs/dbraw/zinc/59/78/89/805597889.db2.gz CGSSKSYWUMNKBX-UHFFFAOYSA-N -1 0 310.372 -0.343 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C(C)(C)C(=O)OC(C)(C)C ZINC000842714089 805598031 /nfs/dbraw/zinc/59/80/31/805598031.db2.gz JUWRLHQPMWGNNS-UHFFFAOYSA-N -1 0 323.367 -0.027 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cn(C2CCC2)nn1 ZINC000842715069 805598549 /nfs/dbraw/zinc/59/85/49/805598549.db2.gz ZYARVUQQJCLFLP-UHFFFAOYSA-N -1 0 302.312 -0.764 20 0 DBADRM CC(C)(C)OC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000842755415 805599446 /nfs/dbraw/zinc/59/94/46/805599446.db2.gz ZASYTBKSCOEGKI-UHFFFAOYSA-N -1 0 308.356 -0.714 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnccn1)c1cn(C2CCC2)nn1 ZINC000842735922 805599326 /nfs/dbraw/zinc/59/93/26/805599326.db2.gz URIGEMYPNAYUII-UHFFFAOYSA-N -1 0 308.323 -0.088 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc[n+]([O-])cc1 ZINC000842763811 805600639 /nfs/dbraw/zinc/60/06/39/805600639.db2.gz CSELTCVKJLRSFU-BDAKNGLRSA-N -1 0 316.335 -0.423 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000842772475 805601378 /nfs/dbraw/zinc/60/13/78/805601378.db2.gz PCWVHPGAYVXQAY-UHFFFAOYSA-N -1 0 319.339 -0.427 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000311017071 963453676 /nfs/dbraw/zinc/45/36/76/963453676.db2.gz NGQXRBGMICVIBQ-RXMQYKEDSA-N -1 0 309.312 -0.941 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000843256395 805612378 /nfs/dbraw/zinc/61/23/78/805612378.db2.gz FDDDRSHRQZQUNH-SECBINFHSA-N -1 0 315.326 -0.686 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)C(=O)NCCCC(=O)[O-] ZINC000843257071 805613217 /nfs/dbraw/zinc/61/32/17/805613217.db2.gz KWCDHTKROFMMMC-UHFFFAOYSA-N -1 0 322.383 -0.703 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@H]2COCCO2)CC1 ZINC000843257184 805613260 /nfs/dbraw/zinc/61/32/60/805613260.db2.gz MYXDODIGHNQCFM-JTQLQIEISA-N -1 0 314.338 -0.769 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCCC(=O)[O-])CC1(C)OCCO1 ZINC000843256445 805613272 /nfs/dbraw/zinc/61/32/72/805613272.db2.gz FTZXQTQMUUOOOR-JTQLQIEISA-N -1 0 316.354 -0.127 20 0 DBADRM CC[C@@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)CCS(C)(=O)=O ZINC000843296792 805616745 /nfs/dbraw/zinc/61/67/45/805616745.db2.gz CAEMEXZICSNXTM-BDAKNGLRSA-N -1 0 313.397 -0.312 20 0 DBADRM Cn1ccc(N2CCC[C@H](NC(=O)COCC(=O)[O-])C2=O)n1 ZINC000843329833 805617856 /nfs/dbraw/zinc/61/78/56/805617856.db2.gz NTRMAAWNNJDTNU-VIFPVBQESA-N -1 0 310.310 -0.867 20 0 DBADRM CS(=O)(=O)C[C@H](NC(=O)COCC(=O)[O-])c1ccccc1 ZINC000843330602 805617906 /nfs/dbraw/zinc/61/79/06/805617906.db2.gz PRTLQLIHKJYBTH-NSHDSACASA-N -1 0 315.347 -0.010 20 0 DBADRM O=C([O-])COCC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000843333359 805617957 /nfs/dbraw/zinc/61/79/57/805617957.db2.gz YDXREBRRSQLTSF-GWCFXTLKSA-N -1 0 301.339 -0.229 20 0 DBADRM O=C([O-])COCC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000843333361 805618067 /nfs/dbraw/zinc/61/80/67/805618067.db2.gz YDXREBRRSQLTSF-GXFFZTMASA-N -1 0 301.339 -0.229 20 0 DBADRM C[C@H](NC(=O)COCC(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000843329482 805618129 /nfs/dbraw/zinc/61/81/29/805618129.db2.gz LBXLVDMNGZOORU-QMMMGPOBSA-N -1 0 316.335 -0.388 20 0 DBADRM C/C=C(/C)C(=O)NC[C@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001296413883 805634132 /nfs/dbraw/zinc/63/41/32/805634132.db2.gz RMYOXGIWUVIGOG-PTDYZRSTSA-N -1 0 321.337 -0.030 20 0 DBADRM COC(=O)C12CC(C(=O)N3CCO[C@H](c4nnn[n-]4)C3)(C1)C2 ZINC000843791831 805635410 /nfs/dbraw/zinc/63/54/10/805635410.db2.gz NUIDEUFXCYKOCN-LHKGTJRUSA-N -1 0 307.310 -0.557 20 0 DBADRM C/C=C(\C)C(=O)N1CCC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001296454796 805635836 /nfs/dbraw/zinc/63/58/36/805635836.db2.gz VXCZDRGBVFZOFU-OTVCUZDGSA-N -1 0 323.353 -0.237 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)NCCc1nc(=O)o[n-]1 ZINC000843873433 805637860 /nfs/dbraw/zinc/63/78/60/805637860.db2.gz YZZDEIOZRQMWFL-UHFFFAOYSA-N -1 0 301.299 -0.620 20 0 DBADRM CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(=O)[nH][n-]1 ZINC000843981689 805640333 /nfs/dbraw/zinc/64/03/33/805640333.db2.gz PDRIUHVHLAZYJC-LBPRGKRZSA-N -1 0 300.318 -0.438 20 0 DBADRM COCCN1[C@H](C)CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC000844021710 805640696 /nfs/dbraw/zinc/64/06/96/805640696.db2.gz PMEFFEHKUGUSIR-DTORHVGOSA-N -1 0 311.342 -0.536 20 0 DBADRM CC[C@H](C)C[C@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000844037894 805642343 /nfs/dbraw/zinc/64/23/43/805642343.db2.gz VCFZTHGBYAUJGG-VHSXEESVSA-N -1 0 307.354 -0.016 20 0 DBADRM CCN(OC)C(=O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000844070591 805644703 /nfs/dbraw/zinc/64/47/03/805644703.db2.gz PLNOZNMFKHQOHT-UHFFFAOYSA-N -1 0 321.293 -0.424 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)c1cc(=O)[nH][n-]1)C(=O)OC(C)(C)C ZINC000844099598 805646277 /nfs/dbraw/zinc/64/62/77/805646277.db2.gz NVDRNDJRLSVZKU-LLVKDONJSA-N -1 0 321.337 -0.205 20 0 DBADRM Cn1nccc1[C@H](NC(=O)c1cc(=O)[nH][n-]1)C(=O)OC(C)(C)C ZINC000844099599 805646537 /nfs/dbraw/zinc/64/65/37/805646537.db2.gz NVDRNDJRLSVZKU-NSHDSACASA-N -1 0 321.337 -0.205 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC000844208741 805653037 /nfs/dbraw/zinc/65/30/37/805653037.db2.gz LZGAZEAXUIFMSB-MRVPVSSYSA-N -1 0 300.340 -0.320 20 0 DBADRM CCCCOC(=O)CCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000844240496 805654275 /nfs/dbraw/zinc/65/42/75/805654275.db2.gz GSQMMQRXRDFSCW-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM CCNC(=O)COc1cccc(CNC(=O)COCC(=O)[O-])c1 ZINC000844243957 805654444 /nfs/dbraw/zinc/65/44/44/805654444.db2.gz MUONIQNADDUAJK-UHFFFAOYSA-N -1 0 324.333 -0.081 20 0 DBADRM CS(=O)(=O)NC1(CNC(=O)COCC(=O)[O-])CCCCC1 ZINC000844248780 805655091 /nfs/dbraw/zinc/65/50/91/805655091.db2.gz DOZVWEPTMVXGLA-UHFFFAOYSA-N -1 0 322.383 -0.544 20 0 DBADRM O=C([O-])COCC(=O)NCCS(=O)(=O)c1ccccc1 ZINC000844253742 805655169 /nfs/dbraw/zinc/65/51/69/805655169.db2.gz FUZCEPGUJBACMO-UHFFFAOYSA-N -1 0 301.320 -0.322 20 0 DBADRM O=C([O-])COCC(=O)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000844246922 805655200 /nfs/dbraw/zinc/65/52/00/805655200.db2.gz ALJHYAALQOJOOF-UHFFFAOYSA-N -1 0 322.317 -0.222 20 0 DBADRM O=C([O-])COCC(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000844245974 805655383 /nfs/dbraw/zinc/65/53/83/805655383.db2.gz GTCJNUGUPNBMOC-UHFFFAOYSA-N -1 0 306.274 -0.500 20 0 DBADRM O=C([O-])COCC(=O)NC[C@H](O)COc1ccc(F)cc1 ZINC000844247429 805655488 /nfs/dbraw/zinc/65/54/88/805655488.db2.gz KQUJBRYTJLEUIV-JTQLQIEISA-N -1 0 301.270 -0.217 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)NCCCN1CCCS1(=O)=O ZINC000844245452 805655591 /nfs/dbraw/zinc/65/55/91/805655591.db2.gz KRDYWZNADNCGOZ-JTQLQIEISA-N -1 0 306.384 -0.115 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001296953082 805658079 /nfs/dbraw/zinc/65/80/79/805658079.db2.gz HQYUTYMJGAEQTC-UHFFFAOYSA-N -1 0 311.342 -0.401 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1cccc(CC(=O)OC)n1 ZINC000844646468 805665155 /nfs/dbraw/zinc/66/51/55/805665155.db2.gz LQRJSSZYPSKTAJ-UHFFFAOYSA-N -1 0 310.310 -0.014 20 0 DBADRM CC/C=C(\C)C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001297013647 805661103 /nfs/dbraw/zinc/66/11/03/805661103.db2.gz QRHQPXVAWOVMNU-WEVVVXLNSA-N -1 0 320.349 -0.217 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000844526052 805662951 /nfs/dbraw/zinc/66/29/51/805662951.db2.gz AQJMMZVCLQKGEF-UHFFFAOYSA-N -1 0 323.288 -0.009 20 0 DBADRM COCC1(S(=O)(=O)N[C@H](Cc2ccncn2)C(=O)[O-])CC1 ZINC000844806900 805672524 /nfs/dbraw/zinc/67/25/24/805672524.db2.gz XZFMJWDFDRBRLU-SNVBAGLBSA-N -1 0 315.351 -0.429 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000844786652 805671788 /nfs/dbraw/zinc/67/17/88/805671788.db2.gz QRHNWJUNWRWKNI-MRVPVSSYSA-N -1 0 319.339 -0.277 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000844795948 805672234 /nfs/dbraw/zinc/67/22/34/805672234.db2.gz VRABBMANMKKNLF-BDAKNGLRSA-N -1 0 316.335 -0.311 20 0 DBADRM C[C@H](O)[C@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844783305 805672313 /nfs/dbraw/zinc/67/23/13/805672313.db2.gz ZTJNWXSXOZTMFV-FFWSUHOLSA-N -1 0 312.706 -0.014 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1 ZINC000844802727 805673533 /nfs/dbraw/zinc/67/35/33/805673533.db2.gz YYEJISVMWZDJCQ-LURJTMIESA-N -1 0 310.282 -0.454 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)cc1C(=O)[O-] ZINC000844899934 805674246 /nfs/dbraw/zinc/67/42/46/805674246.db2.gz IKSFTJODPMBSOL-AQRPAEKGSA-N -1 0 318.376 -0.383 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc2n[nH]c(=S)n2c1 ZINC001297167354 805682386 /nfs/dbraw/zinc/68/23/86/805682386.db2.gz LHIXMAQTNJYXOI-UHFFFAOYSA-N -1 0 306.307 -0.333 20 0 DBADRM CC/C=C(\C)C(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001297240990 805691459 /nfs/dbraw/zinc/69/14/59/805691459.db2.gz GPOTYUUXIHYUPW-RUDMXATFSA-N -1 0 323.353 -0.380 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]S(=O)(=O)CCCF ZINC000845485845 805706457 /nfs/dbraw/zinc/70/64/57/805706457.db2.gz UVKRXHGQZOMLHF-UHFFFAOYSA-N -1 0 320.346 -0.813 20 0 DBADRM CCC(CC)S(=O)(=O)[N-]C(=O)Cn1cnc(C(N)=O)n1 ZINC000845470132 805705296 /nfs/dbraw/zinc/70/52/96/805705296.db2.gz YVTXXZLDYZRADR-UHFFFAOYSA-N -1 0 303.344 -0.988 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)C(C)(C)CNC(C)=O ZINC000845471249 805706000 /nfs/dbraw/zinc/70/60/00/805706000.db2.gz QVTONRIEDBGJPT-UHFFFAOYSA-N -1 0 322.383 -0.452 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)C(C)(C)CNC(C)=O)cn1 ZINC000845485488 805706168 /nfs/dbraw/zinc/70/61/68/805706168.db2.gz NQLPEQUFOFMCKG-UHFFFAOYSA-N -1 0 316.383 -0.130 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)C[C@@H](C)n1ccnc1 ZINC000845491000 805707154 /nfs/dbraw/zinc/70/71/54/805707154.db2.gz AVQKAHCRZJIZOA-LLVKDONJSA-N -1 0 319.383 -0.057 20 0 DBADRM C[C@H]1CCCc2ncc(C(=O)[N-]S(=O)(=O)CC(N)=O)n21 ZINC000845510470 805708421 /nfs/dbraw/zinc/70/84/21/805708421.db2.gz FINCUSMYFOWZJF-ZETCQYMHSA-N -1 0 300.340 -0.675 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)CNC(C)=O ZINC000845513606 805708429 /nfs/dbraw/zinc/70/84/29/805708429.db2.gz PDUWVQSSWMDYNI-ZETCQYMHSA-N -1 0 308.356 -0.844 20 0 DBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845511269 805708550 /nfs/dbraw/zinc/70/85/50/805708550.db2.gz OEOOWIZZPWGNJM-SECBINFHSA-N -1 0 316.383 -0.374 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1COc2ccccc2[C@@H]1O ZINC000845531098 805709746 /nfs/dbraw/zinc/70/97/46/805709746.db2.gz AWPPCKIKBKHBEM-MFKMUULPSA-N -1 0 309.322 -0.152 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCC[C@@H]1CS(C)(=O)=O ZINC000845530319 805709803 /nfs/dbraw/zinc/70/98/03/805709803.db2.gz KYEOMBAHAWVWAM-SNVBAGLBSA-N -1 0 321.399 -0.337 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@H](CC(=O)OC)C1 ZINC000845544186 805712970 /nfs/dbraw/zinc/71/29/70/805712970.db2.gz PENIBCQTQPDDGA-SECBINFHSA-N -1 0 303.315 -0.972 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1cc(=O)n2ccccc2n1 ZINC000845534634 805711116 /nfs/dbraw/zinc/71/11/16/805711116.db2.gz GZZVVFZEPZCCDI-UHFFFAOYSA-N -1 0 319.321 -0.439 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000845539392 805712075 /nfs/dbraw/zinc/71/20/75/805712075.db2.gz GLIAGZPSFPFFCS-SNVBAGLBSA-N -1 0 313.358 -0.700 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@]1(CO)C[C@@H](OCC)C1(C)C ZINC000845536495 805712124 /nfs/dbraw/zinc/71/21/24/805712124.db2.gz AJXNCFXOQGMFEL-QMTHXVAHSA-N -1 0 317.386 -0.081 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(CC(C)C)C(=O)C1 ZINC000845537833 805712186 /nfs/dbraw/zinc/71/21/86/805712186.db2.gz NQTNITXEHHXDNY-UHFFFAOYSA-N -1 0 300.359 -0.436 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000845541160 805713131 /nfs/dbraw/zinc/71/31/31/805713131.db2.gz UKKKXXYZCXLXLC-JTQLQIEISA-N -1 0 317.342 -0.725 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(CCC(N)=O)CC1 ZINC000845540285 805713411 /nfs/dbraw/zinc/71/34/11/805713411.db2.gz HEZHBNOTBKKHMH-UHFFFAOYSA-N -1 0 300.359 -0.259 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000845546424 805714282 /nfs/dbraw/zinc/71/42/82/805714282.db2.gz XGXWEKNRBQIAJP-LLVKDONJSA-N -1 0 324.385 -0.244 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000845546425 805714502 /nfs/dbraw/zinc/71/45/02/805714502.db2.gz XGXWEKNRBQIAJP-NSHDSACASA-N -1 0 324.385 -0.244 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCN1CCOCC1(C)C ZINC000845546892 805714590 /nfs/dbraw/zinc/71/45/90/805714590.db2.gz FTQYUCVVCWAZCV-UHFFFAOYSA-N -1 0 302.375 -0.536 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCc1cccc(C(=O)NC)c1 ZINC000845547071 805714748 /nfs/dbraw/zinc/71/47/48/805714748.db2.gz QFTHHCRKYYACJC-UHFFFAOYSA-N -1 0 322.365 -0.044 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCCN(C)S(=O)(=O)CC ZINC000845553877 805715228 /nfs/dbraw/zinc/71/52/28/805715228.db2.gz YIPCCAYLPFWWSX-UHFFFAOYSA-N -1 0 324.403 -0.975 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000845552635 805715749 /nfs/dbraw/zinc/71/57/49/805715749.db2.gz LPAQUOQJKWEEMG-LLVKDONJSA-N -1 0 322.369 -0.188 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000845550335 805715806 /nfs/dbraw/zinc/71/58/06/805715806.db2.gz NQEMKSHNSHKSCK-MRVPVSSYSA-N -1 0 312.292 -0.010 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCCN(C(=O)OC)C1 ZINC000845549565 805715954 /nfs/dbraw/zinc/71/59/54/805715954.db2.gz XUQGXTOQLAPMKU-SECBINFHSA-N -1 0 302.331 -0.416 20 0 DBADRM CCn1ccc(CC(=O)[N-]S(=O)(=O)c2c(C)cnn2C)n1 ZINC000845576920 805720172 /nfs/dbraw/zinc/72/01/72/805720172.db2.gz VHFZIMOVOWOQGP-UHFFFAOYSA-N -1 0 311.367 -0.007 20 0 DBADRM CCO[N-]C(=O)CNc1cc(NCC(=O)[N-]OCC)ncn1 ZINC000845713467 805723789 /nfs/dbraw/zinc/72/37/89/805723789.db2.gz KYVJARBSTAVMCU-UHFFFAOYSA-N -1 0 312.330 -0.564 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000846001700 805739300 /nfs/dbraw/zinc/73/93/00/805739300.db2.gz FVXLOLYNVLOTJH-UHFFFAOYSA-N -1 0 315.307 -0.121 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc(C(=O)OC)co1 ZINC000846003463 805740254 /nfs/dbraw/zinc/74/02/54/805740254.db2.gz BZDMZWPAVNKBPC-UHFFFAOYSA-N -1 0 306.296 -0.588 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000846003118 805740273 /nfs/dbraw/zinc/74/02/73/805740273.db2.gz VWEIAUXIUPLLTD-UHFFFAOYSA-N -1 0 314.319 -0.297 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccccc1N(C)C ZINC000846130839 805744520 /nfs/dbraw/zinc/74/45/20/805744520.db2.gz MKPACVMILAVZTC-UHFFFAOYSA-N -1 0 308.338 -0.125 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(n1)CCC2 ZINC000846132488 805744992 /nfs/dbraw/zinc/74/49/92/805744992.db2.gz FTZOZMMAAWOWFB-UHFFFAOYSA-N -1 0 306.322 -0.307 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000846132810 805745416 /nfs/dbraw/zinc/74/54/16/805745416.db2.gz DHRXBHUAPQRFHN-UHFFFAOYSA-N -1 0 311.342 -0.240 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C)cnc1OCC ZINC000846133055 805745446 /nfs/dbraw/zinc/74/54/46/805745446.db2.gz UMCJAGJWSKGWRI-UHFFFAOYSA-N -1 0 324.337 -0.089 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC000846132452 805745554 /nfs/dbraw/zinc/74/55/54/805745554.db2.gz DDRSNQLLOJBJCQ-UHFFFAOYSA-N -1 0 309.326 -0.658 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(OC)c1F ZINC000846133832 805746776 /nfs/dbraw/zinc/74/67/76/805746776.db2.gz ZJQWXNABGIWVIQ-UHFFFAOYSA-N -1 0 313.285 -0.043 20 0 DBADRM CC(C)(CO)O[N-]C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 ZINC000846236847 805748627 /nfs/dbraw/zinc/74/86/27/805748627.db2.gz CZWQYAJZCZSORB-VIFPVBQESA-N -1 0 315.301 -0.870 20 0 DBADRM C[C@@H](CO)C1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000846471094 805755805 /nfs/dbraw/zinc/75/58/05/805755805.db2.gz BWJBNSVJLKHOLX-JTQLQIEISA-N -1 0 319.365 -0.062 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000846491591 805757260 /nfs/dbraw/zinc/75/72/60/805757260.db2.gz QNAHIMMVPNQRMA-MRVPVSSYSA-N -1 0 313.276 -0.567 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000846494142 805757903 /nfs/dbraw/zinc/75/79/03/805757903.db2.gz NCNOOLJHOYSARZ-VIFPVBQESA-N -1 0 309.388 -0.866 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CSc1nnnn1C1CC1 ZINC000846496064 805757909 /nfs/dbraw/zinc/75/79/09/805757909.db2.gz GPRHRWUICLFRPT-UHFFFAOYSA-N -1 0 300.344 -0.716 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000846496936 805757989 /nfs/dbraw/zinc/75/79/89/805757989.db2.gz IAIRQMPDMNCKLH-UHFFFAOYSA-N -1 0 318.333 -0.340 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cc1cnn(-c2ccccc2)n1 ZINC000846496730 805758346 /nfs/dbraw/zinc/75/83/46/805758346.db2.gz GXTXVDCAMTYABL-UHFFFAOYSA-N -1 0 303.322 -0.006 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000846497747 805758469 /nfs/dbraw/zinc/75/84/69/805758469.db2.gz YXOJLIUPCWASHJ-PRHODGIISA-N -1 0 301.368 -0.376 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000846495421 805758528 /nfs/dbraw/zinc/75/85/28/805758528.db2.gz ABGMKAPFPTWPMJ-SSDOTTSWSA-N -1 0 311.260 -0.419 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cn1cnc2c(C)cccc2c1=O ZINC000846498645 805759099 /nfs/dbraw/zinc/75/90/99/805759099.db2.gz LEHKYIKCLKLUFM-UHFFFAOYSA-N -1 0 318.333 -0.111 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000846498040 805759161 /nfs/dbraw/zinc/75/91/61/805759161.db2.gz GNWHYOINZGSRPH-SNVBAGLBSA-N -1 0 321.333 -0.016 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H](CCSC)NC(=O)CC ZINC000846498445 805759183 /nfs/dbraw/zinc/75/91/83/805759183.db2.gz XMVDZXGTGYIWDJ-SECBINFHSA-N -1 0 305.400 -0.182 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNC(=O)c1cccc(OC)c1 ZINC000846499310 805759434 /nfs/dbraw/zinc/75/94/34/805759434.db2.gz NPXCNJAINWYGGM-UHFFFAOYSA-N -1 0 309.322 -0.391 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNC(=O)NCc1ccc(C)cc1 ZINC000846499391 805759512 /nfs/dbraw/zinc/75/95/12/805759512.db2.gz QAQIJQRQSFOLCC-UHFFFAOYSA-N -1 0 322.365 -0.022 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cccnc1N1CCOCC1 ZINC000846497973 805759571 /nfs/dbraw/zinc/75/95/71/805759571.db2.gz MEULPBOZQUOYRQ-UHFFFAOYSA-N -1 0 308.338 -0.284 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CCNC(=O)Cc1ccccc1 ZINC000846499473 805759572 /nfs/dbraw/zinc/75/95/72/805759572.db2.gz RKYAATAINYTMLJ-UHFFFAOYSA-N -1 0 307.350 -0.081 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000846498427 805759608 /nfs/dbraw/zinc/75/96/08/805759608.db2.gz WOZQSKHAZAECSP-JTQLQIEISA-N -1 0 311.342 -0.914 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000846714024 805773324 /nfs/dbraw/zinc/77/33/24/805773324.db2.gz WUIGEQNIXYTZAR-PHHYPKRSSA-N -1 0 321.333 -0.439 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000846722952 805773865 /nfs/dbraw/zinc/77/38/65/805773865.db2.gz CORZSIJXVOCPGZ-NSHDSACASA-N -1 0 312.301 -0.281 20 0 DBADRM O=C(Cn1nnc2c1CCCC2)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000847473388 805801593 /nfs/dbraw/zinc/80/15/93/805801593.db2.gz TXENBOJYLXFSLJ-LLVKDONJSA-N -1 0 318.341 -0.730 20 0 DBADRM CC1(C(=O)NCC=CCNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001298435910 805802168 /nfs/dbraw/zinc/80/21/68/805802168.db2.gz NOUXADWJQPYTDF-NSCUHMNNSA-N -1 0 307.310 -0.515 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1ccc2c(n1)OCCO2 ZINC000847632024 805810217 /nfs/dbraw/zinc/81/02/17/805810217.db2.gz MNIZTQAFAQOQCV-UHFFFAOYSA-N -1 0 313.335 -0.077 20 0 DBADRM CC(C)CS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cn1 ZINC000847637522 805810283 /nfs/dbraw/zinc/81/02/83/805810283.db2.gz GRMXUMRRLYEYOV-UHFFFAOYSA-N -1 0 310.339 -0.227 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1scc2c1OCCO2 ZINC000847678975 805812053 /nfs/dbraw/zinc/81/20/53/805812053.db2.gz KRFXIPFGRITONU-UHFFFAOYSA-N -1 0 306.321 -0.936 20 0 DBADRM COc1cnc(F)c(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000847650900 805811113 /nfs/dbraw/zinc/81/11/13/805811113.db2.gz CFNWIPKUZUXFQU-UHFFFAOYSA-N -1 0 319.314 -0.464 20 0 DBADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC000847643955 805811219 /nfs/dbraw/zinc/81/12/19/805811219.db2.gz JPCHJONNQUAGHR-SECBINFHSA-N -1 0 318.399 -0.228 20 0 DBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)C2CCCC2)c(=O)n1C ZINC000847656285 805811266 /nfs/dbraw/zinc/81/12/66/805811266.db2.gz AUOCMMQPTAQNFL-UHFFFAOYSA-N -1 0 302.356 -0.721 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc3c(n2)OCCO3)c1 ZINC000847729023 805813776 /nfs/dbraw/zinc/81/37/76/805813776.db2.gz PXUCBOWLCUBTPB-UHFFFAOYSA-N -1 0 324.318 -0.295 20 0 DBADRM CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995537 805818639 /nfs/dbraw/zinc/81/86/39/805818639.db2.gz HEYJMOGUAABTDP-IYSWYEEDSA-N -1 0 303.296 -0.997 20 0 DBADRM CC(C)n1cc(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)nn1 ZINC000847847315 805816071 /nfs/dbraw/zinc/81/60/71/805816071.db2.gz GGSLSOWVAORVCX-UHFFFAOYSA-N -1 0 312.355 -0.148 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000847846951 805816208 /nfs/dbraw/zinc/81/62/08/805816208.db2.gz ZIQQAEVCBJWQKP-NSHDSACASA-N -1 0 316.383 -0.913 20 0 DBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)CC1 ZINC000847848640 805816249 /nfs/dbraw/zinc/81/62/49/805816249.db2.gz INVCHWJZASPJCP-UHFFFAOYSA-N -1 0 301.324 -0.681 20 0 DBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)Cn2cc(Cl)cn2)cn1 ZINC000847847460 805816337 /nfs/dbraw/zinc/81/63/37/805816337.db2.gz JNGZDOIGMJHVIL-UHFFFAOYSA-N -1 0 317.758 -0.084 20 0 DBADRM COC[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)CCOC1 ZINC000847848553 805816716 /nfs/dbraw/zinc/81/67/16/805816716.db2.gz PZKPNUKXDIUFCZ-LBPRGKRZSA-N -1 0 317.367 -0.581 20 0 DBADRM C[C@]1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CCCO1 ZINC000847996001 805818959 /nfs/dbraw/zinc/81/89/59/805818959.db2.gz ISLCIRMQPTYKLZ-SNVBAGLBSA-N -1 0 303.296 -0.853 20 0 DBADRM COCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996547 805819204 /nfs/dbraw/zinc/81/92/04/805819204.db2.gz NBASQWYWKLAPRH-UHFFFAOYSA-N -1 0 305.312 -0.749 20 0 DBADRM CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996333 805819375 /nfs/dbraw/zinc/81/93/75/805819375.db2.gz KBRFTWVAWFVQCR-ZETCQYMHSA-N -1 0 319.339 -0.361 20 0 DBADRM CC[C@@H](C)[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998158 805820047 /nfs/dbraw/zinc/82/00/47/805820047.db2.gz NLBFPXPYOZJRSK-HZGVNTEJSA-N -1 0 319.339 -0.361 20 0 DBADRM CCNC(=O)CC(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001298758342 805830257 /nfs/dbraw/zinc/83/02/57/805830257.db2.gz JLTGFDDVSKDNCZ-ZETCQYMHSA-N -1 0 311.342 -0.816 20 0 DBADRM C/C(=C/C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001298833341 805835993 /nfs/dbraw/zinc/83/59/93/805835993.db2.gz FYLGEVISLZUTRY-RDOCRHDPSA-N -1 0 323.353 -0.334 20 0 DBADRM Cn1cc(/C=C\C(=O)N(CC(=O)[O-])C2CCC2)c(=O)n(C)c1=O ZINC000848456680 805838551 /nfs/dbraw/zinc/83/85/51/805838551.db2.gz ZXSILLVOSJBNAG-SREVYHEPSA-N -1 0 321.333 -0.437 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])[C@H]1C ZINC000848608512 805842009 /nfs/dbraw/zinc/84/20/09/805842009.db2.gz ADMMAUQKZWWLCY-HRDYMLBCSA-N -1 0 300.311 -0.767 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCOC[C@H](C)C1)C(=O)[O-] ZINC000848610474 805843088 /nfs/dbraw/zinc/84/30/88/805843088.db2.gz UWUFDTRPVXHNFW-MNOVXSKESA-N -1 0 300.355 -0.046 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1COC(C)(C)O1)C(=O)[O-] ZINC000848610852 805843265 /nfs/dbraw/zinc/84/32/65/805843265.db2.gz NSYPMIVCOFFJNJ-VHSXEESVSA-N -1 0 316.354 -0.273 20 0 DBADRM COC1CCN(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])CC1 ZINC000849218531 805859797 /nfs/dbraw/zinc/85/97/97/805859797.db2.gz YMVOUWYIRYLTQZ-SNVBAGLBSA-N -1 0 322.383 -0.483 20 0 DBADRM CCC1CCN(S(=O)(=O)NCC(=O)NCC(=O)[O-])CC1 ZINC000849218471 805860068 /nfs/dbraw/zinc/86/00/68/805860068.db2.gz WRIWCJGDFCOZFO-UHFFFAOYSA-N -1 0 307.372 -0.856 20 0 DBADRM C[C@H](CC(F)(F)F)CS(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000849217803 805860154 /nfs/dbraw/zinc/86/01/54/805860154.db2.gz JDKXRZSUSDNGRL-ZCFIWIBFSA-N -1 0 320.289 -0.305 20 0 DBADRM CO[C@H](CNC(=O)N1CCOC[C@@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC000849238269 805861064 /nfs/dbraw/zinc/86/10/64/805861064.db2.gz UMKDLDWKHZGBHV-GMTAPVOTSA-N -1 0 302.327 -0.467 20 0 DBADRM CO[C@H](CNC(=O)N1CCOC[C@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC000849238271 805861211 /nfs/dbraw/zinc/86/12/11/805861211.db2.gz UMKDLDWKHZGBHV-OUAUKWLOSA-N -1 0 302.327 -0.467 20 0 DBADRM COC(=O)N1CCC(C(=O)Nc2ncn(CC(=O)[O-])n2)CC1 ZINC000849364293 805864632 /nfs/dbraw/zinc/86/46/32/805864632.db2.gz HQCIMIFXVCASTL-UHFFFAOYSA-N -1 0 311.298 -0.220 20 0 DBADRM CC/C=C(\C)C(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001299389064 805883491 /nfs/dbraw/zinc/88/34/91/805883491.db2.gz MYYLWLDBSRRMQV-WEVVVXLNSA-N -1 0 323.353 -0.285 20 0 DBADRM O=C1NCC[C@H]1CCN1[N-]S(=O)(=O)c2ccccc2C1=O ZINC000849869232 805881585 /nfs/dbraw/zinc/88/15/85/805881585.db2.gz CXALNJINZCVOJA-VIFPVBQESA-N -1 0 309.347 -0.138 20 0 DBADRM CC/C=C(\C)C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001299382346 805883727 /nfs/dbraw/zinc/88/37/27/805883727.db2.gz BHFBVTLXDRDMCK-VMPITWQZSA-N -1 0 321.337 -0.078 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccn2cc(C)nc2c1 ZINC000850476407 805891467 /nfs/dbraw/zinc/89/14/67/805891467.db2.gz MPHXSFBQPFOECH-UHFFFAOYSA-N -1 0 319.321 -0.235 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2nnn(C(C)(C)C)n2)cn1 ZINC000850740743 805901834 /nfs/dbraw/zinc/90/18/34/805901834.db2.gz BZOZXJWBXXSXNG-UHFFFAOYSA-N -1 0 313.343 -0.720 20 0 DBADRM CCCCS(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCOCC1 ZINC000850736619 805902010 /nfs/dbraw/zinc/90/20/10/805902010.db2.gz QBRIWXXIAGFAMO-UHFFFAOYSA-N -1 0 317.371 -0.575 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)N1CCCCC1)[C@H]1CCOC1 ZINC000850788731 805902095 /nfs/dbraw/zinc/90/20/95/805902095.db2.gz FXESCRFGQWTDCK-WDEREUQCSA-N -1 0 306.384 -0.115 20 0 DBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000850798296 805903836 /nfs/dbraw/zinc/90/38/36/805903836.db2.gz MYTBRAISHUKGFM-LURJTMIESA-N -1 0 311.747 -0.460 20 0 DBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)CCc2cn(C)nn2)c1 ZINC000850840759 805904319 /nfs/dbraw/zinc/90/43/19/805904319.db2.gz CRTDKEKONWPLFQ-UHFFFAOYSA-N -1 0 309.351 -0.044 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)n1 ZINC000850844201 805904397 /nfs/dbraw/zinc/90/43/97/805904397.db2.gz WFFDUMRMYSMKAB-MRVPVSSYSA-N -1 0 317.371 -0.795 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C[C@H](C)n1ccc(C)n1 ZINC000850833935 805904672 /nfs/dbraw/zinc/90/46/72/805904672.db2.gz VKGBGCBPNRTTHZ-VIFPVBQESA-N -1 0 303.340 -0.238 20 0 DBADRM CCCn1nccc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000850862691 805905513 /nfs/dbraw/zinc/90/55/13/805905513.db2.gz SYSZWGQJBUXPIK-UHFFFAOYSA-N -1 0 302.356 -0.400 20 0 DBADRM CCOCCOCCCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000850862829 805905696 /nfs/dbraw/zinc/90/56/96/805905696.db2.gz WZBAXTAFRXJSRP-UHFFFAOYSA-N -1 0 324.399 -0.487 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccccn1)[C@@H]1CCOC1 ZINC000850847587 805905748 /nfs/dbraw/zinc/90/57/48/805905748.db2.gz GAPBHRMWOULXTG-MWLCHTKSSA-N -1 0 300.336 -0.062 20 0 DBADRM Cc1ccn([C@@H](C)CC(=O)[N-]S(=O)(=O)N2CCOCC2)n1 ZINC000850862342 805905796 /nfs/dbraw/zinc/90/57/96/805905796.db2.gz MYOVTZSWLKMIGG-NSHDSACASA-N -1 0 316.383 -0.164 20 0 DBADRM CNC(=O)C1(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)CC1 ZINC001301650791 805906705 /nfs/dbraw/zinc/90/67/05/805906705.db2.gz WGVATVLJDIYHIZ-JTQLQIEISA-N -1 0 300.322 -0.069 20 0 DBADRM Cc1nc2c(c(=O)[nH]1)CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC001301716678 805907631 /nfs/dbraw/zinc/90/76/31/805907631.db2.gz UGDJBEAFUCHMJL-QMMMGPOBSA-N -1 0 305.294 -0.679 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(C2CC2)cn1 ZINC000850942285 805907820 /nfs/dbraw/zinc/90/78/20/805907820.db2.gz FDUSAKAPGVWTBD-MRVPVSSYSA-N -1 0 315.351 -0.232 20 0 DBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)n1 ZINC000850934614 805908156 /nfs/dbraw/zinc/90/81/56/805908156.db2.gz WWLNVYBYXCNYSQ-QMMMGPOBSA-N -1 0 317.371 -0.333 20 0 DBADRM CCCn1nccc1C(=O)[N-]S(=O)(=O)CC(=O)OCC ZINC000850924063 805908322 /nfs/dbraw/zinc/90/83/22/805908322.db2.gz YYAQCKZIBKWXEB-UHFFFAOYSA-N -1 0 303.340 -0.084 20 0 DBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H](COC)OC)cn1 ZINC000850937855 805908464 /nfs/dbraw/zinc/90/84/64/805908464.db2.gz UIRRRUVFIRTBJO-JTQLQIEISA-N -1 0 318.351 -0.053 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1)[C@@H]1CCOC1 ZINC000850936960 805908473 /nfs/dbraw/zinc/90/84/73/805908473.db2.gz LNLFGDGIXOVANX-MXWKQRLJSA-N -1 0 307.368 -0.337 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccnn1C(F)F ZINC000850943184 805909205 /nfs/dbraw/zinc/90/92/05/805909205.db2.gz PHABODRDJDBKLT-YFKPBYRVSA-N -1 0 311.266 -0.101 20 0 DBADRM COCCCOCCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000850943323 805909278 /nfs/dbraw/zinc/90/92/78/805909278.db2.gz QVDZSMARQVAPPS-VIFPVBQESA-N -1 0 311.356 -0.563 20 0 DBADRM CCc1c[nH]c(=O)c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)c1 ZINC000850942463 805909408 /nfs/dbraw/zinc/90/94/08/805909408.db2.gz GZHBOHLHAYXNEV-ZETCQYMHSA-N -1 0 316.335 -0.029 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1c(Cl)cnn1C ZINC000850944052 805909457 /nfs/dbraw/zinc/90/94/57/805909457.db2.gz YGQHIKGWJCETMH-YFKPBYRVSA-N -1 0 309.731 -0.305 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000851036289 805911395 /nfs/dbraw/zinc/91/13/95/805911395.db2.gz GNAZEGPJRSMIGN-UWVGGRQHSA-N -1 0 307.368 -0.337 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC000851021623 805912068 /nfs/dbraw/zinc/91/20/68/805912068.db2.gz LNHGGIPMYBUGFV-SCZZXKLOSA-N -1 0 309.340 -0.953 20 0 DBADRM O=C(c1ccnc2[nH]c(=O)[nH]c21)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001302935580 805912228 /nfs/dbraw/zinc/91/22/28/805912228.db2.gz CNSXLFZJUASLPG-ZCFIWIBFSA-N -1 0 300.282 -0.194 20 0 DBADRM Cn1cccc1S(=O)(=O)[N-]C(=O)c1cnc2n1CCOC2 ZINC000851082842 805913442 /nfs/dbraw/zinc/91/34/42/805913442.db2.gz DHRHGGPMFBPSJX-UHFFFAOYSA-N -1 0 310.335 -0.130 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cccn1C)[C@H]1CCOC1 ZINC000851082317 805913586 /nfs/dbraw/zinc/91/35/86/805913586.db2.gz FCUFMMLQMHONKH-GXSJLCMTSA-N -1 0 302.352 -0.119 20 0 DBADRM O=C(Cn1nc2ccccn2c1=O)NC1(c2nnn[n-]2)CCC1 ZINC001303221353 805913787 /nfs/dbraw/zinc/91/37/87/805913787.db2.gz GJJITISMMBBNBX-UHFFFAOYSA-N -1 0 314.309 -0.795 20 0 DBADRM CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1 ZINC000851135036 805914095 /nfs/dbraw/zinc/91/40/95/805914095.db2.gz BBDZBRSZXNEZKU-RYUDHWBXSA-N -1 0 318.395 -0.132 20 0 DBADRM COC1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)nnn3C)CC1 ZINC000851175607 805914820 /nfs/dbraw/zinc/91/48/20/805914820.db2.gz IWKJBJVXXWTYNO-UHFFFAOYSA-N -1 0 310.335 -0.048 20 0 DBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)CC(F)F ZINC000851360318 805915193 /nfs/dbraw/zinc/91/51/93/805915193.db2.gz CPUDYFYDUBRLFC-UHFFFAOYSA-N -1 0 305.324 -0.006 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCn1cccn1 ZINC000851498724 805917570 /nfs/dbraw/zinc/91/75/70/805917570.db2.gz FVNFRDRZCLIGEB-UHFFFAOYSA-N -1 0 305.356 -0.619 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cnc(OC)nc1 ZINC000851500670 805917698 /nfs/dbraw/zinc/91/76/98/805917698.db2.gz BYEXFJBIRPPDFN-UHFFFAOYSA-N -1 0 319.339 -0.794 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cc1c(C)noc1C ZINC000851499114 805918117 /nfs/dbraw/zinc/91/81/17/805918117.db2.gz NJDLZPACMXZUGW-UHFFFAOYSA-N -1 0 320.367 -0.059 20 0 DBADRM CCn1cc(C(=O)[N-]S(=O)(=O)C(COC)COC)cn1 ZINC000851501083 805918150 /nfs/dbraw/zinc/91/81/50/805918150.db2.gz IATKUIVPUGLCIE-UHFFFAOYSA-N -1 0 305.356 -0.376 20 0 DBADRM CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)C(COC)COC ZINC000851502251 805918883 /nfs/dbraw/zinc/91/88/83/805918883.db2.gz JIHKOJHHLNWVBU-UHFFFAOYSA-N -1 0 319.383 -0.297 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C[C@@H](C)n1cccn1 ZINC000851504394 805919250 /nfs/dbraw/zinc/91/92/50/805919250.db2.gz WPISGCQIUBDFGE-SNVBAGLBSA-N -1 0 319.383 -0.058 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C ZINC001304257199 805921212 /nfs/dbraw/zinc/92/12/12/805921212.db2.gz HSWPOXHDWDIUEH-UHFFFAOYSA-N -1 0 306.282 -0.916 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@H]2CSCN2C(C)=O)[C@@H](C(=O)[O-])C1 ZINC000851622860 805921512 /nfs/dbraw/zinc/92/15/12/805921512.db2.gz WDURZQSKTVOBAQ-GMTAPVOTSA-N -1 0 316.379 -0.002 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000851680431 805924182 /nfs/dbraw/zinc/92/41/82/805924182.db2.gz ICBTWTICYJYCKM-MYQWFSQQSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)NCCO[C@H]1CC1(F)F ZINC000851683946 805925241 /nfs/dbraw/zinc/92/52/41/805925241.db2.gz SLUNSSNXZYULPY-QMMMGPOBSA-N -1 0 308.281 -0.102 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCO[C@H]2CC2(F)F)C1 ZINC000851683387 805925352 /nfs/dbraw/zinc/92/53/52/805925352.db2.gz DPCIEHXKAUTBGH-UFBFGSQYSA-N -1 0 320.292 -0.150 20 0 DBADRM COC(=O)N(C)CCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000851683852 805925396 /nfs/dbraw/zinc/92/53/96/805925396.db2.gz PYQVOIFDGMIMDM-ZDUSSCGKSA-N -1 0 315.326 -0.876 20 0 DBADRM COC(=O)C[C@@H](C)N(OC)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001305930537 805925456 /nfs/dbraw/zinc/92/54/56/805925456.db2.gz FCHKUJYKAAAVBS-MRVPVSSYSA-N -1 0 316.314 -0.189 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000851683655 805925593 /nfs/dbraw/zinc/92/55/93/805925593.db2.gz LPSLFAOGQDEUDU-OAHLLOKOSA-N -1 0 320.349 -0.233 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)c1cn(C)c2c(cnn2C)c1=O ZINC001306859392 805926824 /nfs/dbraw/zinc/92/68/24/805926824.db2.gz RWKCBZSZKCMFAR-UHFFFAOYSA-N -1 0 318.293 -0.367 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCC3(C2)OCCO3)CCC1 ZINC000851687282 805926844 /nfs/dbraw/zinc/92/68/44/805926844.db2.gz POGLGNSZNIIULS-UHFFFAOYSA-N -1 0 312.322 -0.667 20 0 DBADRM COC(=O)NCCCC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000851697947 805930645 /nfs/dbraw/zinc/93/06/45/805930645.db2.gz XGXKXWYCQADWJE-NOZJJQNGSA-N -1 0 300.311 -0.318 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CN1CCSC1=O)C2 ZINC000851697783 805931475 /nfs/dbraw/zinc/93/14/75/805931475.db2.gz UNMAHGAIGAWVFP-PRHODGIISA-N -1 0 300.336 -0.285 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)OC ZINC001309732125 805939916 /nfs/dbraw/zinc/93/99/16/805939916.db2.gz FDXHBKGSNRUJTH-ZETCQYMHSA-N -1 0 320.323 -0.247 20 0 DBADRM CS(C)(=O)=NCC[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001309872481 805941243 /nfs/dbraw/zinc/94/12/43/805941243.db2.gz GBEJNFMSDYOTTH-UHFFFAOYSA-N -1 0 317.458 -0.190 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccc(-n2cnnn2)c(C)c1 ZINC001310058286 805943135 /nfs/dbraw/zinc/94/31/35/805943135.db2.gz XXVDQZZZSYBXPG-UHFFFAOYSA-N -1 0 305.298 -0.230 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC001310479678 805943406 /nfs/dbraw/zinc/94/34/06/805943406.db2.gz PTEVSMNHCWDKBF-UHFFFAOYSA-N -1 0 309.261 -0.400 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1cccc(N2C(=O)CNC2=O)c1 ZINC001310147073 805943566 /nfs/dbraw/zinc/94/35/66/805943566.db2.gz QHGHFMYMYCTUSF-UHFFFAOYSA-N -1 0 321.293 -0.458 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC001313360636 805961139 /nfs/dbraw/zinc/96/11/39/805961139.db2.gz DZJJIGBRGSJADE-VIFPVBQESA-N -1 0 301.347 -0.891 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC(n2cc(C(C)=O)nn2)C1 ZINC001312960882 805958093 /nfs/dbraw/zinc/95/80/93/805958093.db2.gz LZFSWAYDCGNLMP-UHFFFAOYSA-N -1 0 310.314 -0.885 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1cc(=O)n2ccccc2n1 ZINC001312946865 805958110 /nfs/dbraw/zinc/95/81/10/805958110.db2.gz JYTJEBUSEBJXKA-UHFFFAOYSA-N -1 0 305.294 -0.829 20 0 DBADRM CO[N-]C(=O)CNC(=O)N(CCO)CCOCC(F)(F)F ZINC001313361548 805960681 /nfs/dbraw/zinc/96/06/81/805960681.db2.gz LRIQTQNIHJVCHI-UHFFFAOYSA-N -1 0 317.264 -0.753 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000852399573 805962630 /nfs/dbraw/zinc/96/26/30/805962630.db2.gz MXUSJSPPGXPRAR-SNVBAGLBSA-N -1 0 315.374 -0.549 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H](COC)C1CCOCC1 ZINC000852398889 805963030 /nfs/dbraw/zinc/96/30/30/805963030.db2.gz BAKSJLJTWFYDFF-NSHDSACASA-N -1 0 303.359 -0.205 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000852398854 805963087 /nfs/dbraw/zinc/96/30/87/805963087.db2.gz ACBJHANWQOPLBB-NSHDSACASA-N -1 0 300.359 -0.830 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@@H](N2CCOC2=O)C1 ZINC000852399588 805963120 /nfs/dbraw/zinc/96/31/20/805963120.db2.gz NRIBHDISXCWZGW-SECBINFHSA-N -1 0 300.315 -0.710 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(N2CCOC2=O)CC1 ZINC000852399185 805963300 /nfs/dbraw/zinc/96/33/00/805963300.db2.gz DXXSKSNVZYRCAQ-UHFFFAOYSA-N -1 0 314.342 -0.320 20 0 DBADRM COC(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852733406 805972705 /nfs/dbraw/zinc/97/27/05/805972705.db2.gz QAEYSOZNZRGAAM-XPUUQOCRSA-N -1 0 312.244 -0.245 20 0 DBADRM NC(=O)c1cc(Cl)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000852911584 805989400 /nfs/dbraw/zinc/98/94/00/805989400.db2.gz YCPVEQSTOMXZCW-SREIQFSDSA-N -1 0 312.713 -0.234 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCc3nccnc3C2)C1 ZINC000852914835 805991556 /nfs/dbraw/zinc/99/15/56/805991556.db2.gz IXBWRSXMQXZQEN-OAHLLOKOSA-N -1 0 318.333 -0.316 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)NCCCCC(=O)[O-])C1 ZINC000852941293 805994091 /nfs/dbraw/zinc/99/40/91/805994091.db2.gz HDZOZUMBLPSJGJ-VIFPVBQESA-N -1 0 307.372 -0.727 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000852939627 805994109 /nfs/dbraw/zinc/99/41/09/805994109.db2.gz UUGBXRNFGIEFSP-SECBINFHSA-N -1 0 307.372 -0.775 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCCN1CCCS1(=O)=O ZINC000852945989 805994335 /nfs/dbraw/zinc/99/43/35/805994335.db2.gz LFTHANVWWNYCGV-LLVKDONJSA-N -1 0 308.356 -0.982 20 0 DBADRM CCOc1ccc(N2CCN(C(=O)COCC(=O)[O-])CC2)nn1 ZINC000852959747 805995233 /nfs/dbraw/zinc/99/52/33/805995233.db2.gz WFORFOLJZDZPMC-UHFFFAOYSA-N -1 0 324.337 -0.375 20 0 DBADRM O=C([O-])[C@H](C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)C1CC1 ZINC000852952592 805995277 /nfs/dbraw/zinc/99/52/77/805995277.db2.gz ZVUKTFFOFMJLMF-NEPJUHHUSA-N -1 0 310.350 -0.007 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)C[C@H](COC)OC ZINC000853202491 806001075 /nfs/dbraw/zinc/00/10/75/806001075.db2.gz FZYJEFVVCMSUNX-JTQLQIEISA-N -1 0 324.399 -0.600 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(C(N)=O)o1 ZINC000853105615 805997688 /nfs/dbraw/zinc/99/76/88/805997688.db2.gz JHTFNXNCUDOOBY-HWKANZROSA-N -1 0 302.308 -0.516 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)/C=C/c1ccc(C(N)=O)o1 ZINC000853119758 805997829 /nfs/dbraw/zinc/99/78/29/805997829.db2.gz BDLRCRKDFIISJW-JQTRYQTASA-N -1 0 316.335 -0.127 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cn(C)nc1C)OC ZINC000853203612 806000951 /nfs/dbraw/zinc/00/09/51/806000951.db2.gz PAECKNYOQVWOCG-SECBINFHSA-N -1 0 305.356 -0.550 20 0 DBADRM CCc1ocnc1C(=O)[N-]S(=O)(=O)C[C@H](COC)OC ZINC000853202335 806001005 /nfs/dbraw/zinc/00/10/05/806001005.db2.gz DMRPJGFOTHVNDA-QMMMGPOBSA-N -1 0 306.340 -0.042 20 0 DBADRM CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC ZINC000853204158 806001371 /nfs/dbraw/zinc/00/13/71/806001371.db2.gz MIUMQXWLKROFBE-SNVBAGLBSA-N -1 0 319.383 -0.068 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@]12CCOC2)OC ZINC000853207176 806001694 /nfs/dbraw/zinc/00/16/94/806001694.db2.gz ZRGKPMCSWHCPDK-SCVCMEIPSA-N -1 0 307.368 -0.480 20 0 DBADRM CCn1nccc1C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC ZINC000853206526 806002056 /nfs/dbraw/zinc/00/20/56/806002056.db2.gz RKGWKXKRTPRCOF-SECBINFHSA-N -1 0 305.356 -0.376 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CCCOCC1)OC ZINC000853207831 806002103 /nfs/dbraw/zinc/00/21/03/806002103.db2.gz KTUVBTCKQBOGMN-GHMZBOCLSA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cnc(C)nc1C)OC ZINC000853205796 806002219 /nfs/dbraw/zinc/00/22/19/806002219.db2.gz HUOFXLHXXUNAQV-JTQLQIEISA-N -1 0 317.367 -0.186 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)Cc1cncs1)OC ZINC000853206264 806002340 /nfs/dbraw/zinc/00/23/40/806002340.db2.gz NLOWMRMVXWDSQK-QMMMGPOBSA-N -1 0 308.381 -0.207 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C(C)(C)CNC(C)=O)OC ZINC000853209509 806002843 /nfs/dbraw/zinc/00/28/43/806002843.db2.gz OAXBCRWUIKLREA-JTQLQIEISA-N -1 0 324.399 -0.744 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@]1(C)CCC(=O)NC1)OC ZINC000853208210 806003022 /nfs/dbraw/zinc/00/30/22/806003022.db2.gz RPTJYFZXHAJDHF-SKDRFNHKSA-N -1 0 322.383 -0.990 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cnc2n1CCC2)OC ZINC000853210019 806003505 /nfs/dbraw/zinc/00/35/05/806003505.db2.gz VWSBDDISPXAIIY-SECBINFHSA-N -1 0 317.367 -0.450 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)Cc1cnn(C)c1C)OC ZINC000853210303 806004082 /nfs/dbraw/zinc/00/40/82/806004082.db2.gz UGQZECGGKNJDDF-LLVKDONJSA-N -1 0 319.383 -0.622 20 0 DBADRM CCn1nccc1CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000853349934 806005546 /nfs/dbraw/zinc/00/55/46/806005546.db2.gz LVYGLEWXISGDMG-AWEZNQCLSA-N -1 0 308.338 -0.158 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCC1N=NC(=S)N1CC ZINC000854217443 806030468 /nfs/dbraw/zinc/03/04/68/806030468.db2.gz MMXMTYKYKSICDD-UHFFFAOYSA-N -1 0 316.387 -0.504 20 0 DBADRM CC(C)N(CCOCCO)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000854388962 806034497 /nfs/dbraw/zinc/03/44/97/806034497.db2.gz GTRGBISNGGESQM-UHFFFAOYSA-N -1 0 323.353 -0.683 20 0 DBADRM CS(=O)(=O)N1CCN(CC(=O)[N-]Oc2ccccc2)CC1 ZINC000854537393 806040777 /nfs/dbraw/zinc/04/07/77/806040777.db2.gz SNCTUNOWMYFLFD-UHFFFAOYSA-N -1 0 313.379 -0.326 20 0 DBADRM O=C(CCn1cc(Br)cn1)Nn1c(=O)[n-][nH]c1=O ZINC000854610382 806045890 /nfs/dbraw/zinc/04/58/90/806045890.db2.gz GGEICUFPLWSTRL-UHFFFAOYSA-N -1 0 317.103 -0.191 20 0 DBADRM CCC(=O)N[C@H](CCSC)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854610780 806045949 /nfs/dbraw/zinc/04/59/49/806045949.db2.gz MIHVZMVWTIBXCH-ZCFIWIBFSA-N -1 0 303.344 -0.593 20 0 DBADRM C[NH+]1CCN(c2cccc(C(=O)[N-]n3c(=O)[n-][nH]c3=O)n2)CC1 ZINC000854611824 806046495 /nfs/dbraw/zinc/04/64/95/806046495.db2.gz BFWSPCPPJMOEOB-UHFFFAOYSA-N -1 0 319.325 -0.780 20 0 DBADRM CC(C)(C)OC(=O)CSCC(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854612952 806046730 /nfs/dbraw/zinc/04/67/30/806046730.db2.gz LLQREIWKVKVJAH-UHFFFAOYSA-N -1 0 304.328 -0.166 20 0 DBADRM CC1=NO[C@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000854785486 806060365 /nfs/dbraw/zinc/06/03/65/806060365.db2.gz LZAONLSJALFFCQ-QMMMGPOBSA-N -1 0 313.335 -0.066 20 0 DBADRM CC(C)[C@@H](CO)ONC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000854827266 806062187 /nfs/dbraw/zinc/06/21/87/806062187.db2.gz HNULHRBFDHYTRH-LLVKDONJSA-N -1 0 318.351 -0.282 20 0 DBADRM O=C(N[C@@H](C1CCOCC1)C1(CO)CCC1)c1cc(=O)[nH][n-]1 ZINC000855120155 806070273 /nfs/dbraw/zinc/07/02/73/806070273.db2.gz JGHXIHVABOQVBT-ZDUSSCGKSA-N -1 0 309.366 -0.064 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@H](C)C1=O ZINC000855579917 806082369 /nfs/dbraw/zinc/08/23/69/806082369.db2.gz FZGHTZSVKWGFIU-RKDXNWHRSA-N -1 0 303.322 -0.245 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1COC2(CCC2)C1 ZINC000855668688 806085805 /nfs/dbraw/zinc/08/58/05/806085805.db2.gz RXMJPKVMHUQGDP-VIFPVBQESA-N -1 0 303.322 -0.101 20 0 DBADRM C[C@@]12COC[C@H]1CN(C(=O)Cn1[n-]cc3c(=O)ncnc1-3)C2 ZINC000855840191 806088760 /nfs/dbraw/zinc/08/87/60/806088760.db2.gz XNICAKQFKYQVOM-YMTOWFKASA-N -1 0 303.322 -0.434 20 0 DBADRM CCC[C@H](C(=O)[N-]OCCN1CCCC1=O)S(N)(=O)=O ZINC000856044029 806094552 /nfs/dbraw/zinc/09/45/52/806094552.db2.gz BOMIGVIWLSCBRH-SECBINFHSA-N -1 0 307.372 -0.886 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)[N-]OCCN1CCCC1=O ZINC000856039366 806094674 /nfs/dbraw/zinc/09/46/74/806094674.db2.gz YCRAWOXGSOOMHU-LLVKDONJSA-N -1 0 321.399 -0.770 20 0 DBADRM O=C(CNC(=O)NCc1ccco1)[N-]OCCN1CCCC1=O ZINC000856038351 806093188 /nfs/dbraw/zinc/09/31/88/806093188.db2.gz DDGCZPWJXYKGBE-UHFFFAOYSA-N -1 0 324.337 -0.251 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)[N-]OCCN1CCCC1=O ZINC000856040311 806094771 /nfs/dbraw/zinc/09/47/71/806094771.db2.gz YHUMPIHZXIFWHG-JTQLQIEISA-N -1 0 315.395 -0.032 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)[N-]OCCN1CCCC1=O ZINC000856039428 806094326 /nfs/dbraw/zinc/09/43/26/806094326.db2.gz ZVXMTJNFLUBPLZ-UHFFFAOYSA-N -1 0 306.384 -0.273 20 0 DBADRM O=C(CNC(=O)c1cccnc1)[N-]OCCN1CCCC1=O ZINC000856040799 806094506 /nfs/dbraw/zinc/09/45/06/806094506.db2.gz GDLIGMNJJPNHQW-UHFFFAOYSA-N -1 0 306.322 -0.518 20 0 DBADRM COCC(=O)N[C@H](C(=O)[N-]OCCN1CCCC1=O)C(C)C ZINC000856040206 806094526 /nfs/dbraw/zinc/09/45/26/806094526.db2.gz BBSVARYWCDJMMT-ZDUSSCGKSA-N -1 0 315.370 -0.556 20 0 DBADRM O=C(N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cc(=O)[nH][n-]1 ZINC000856082577 806095662 /nfs/dbraw/zinc/09/56/62/806095662.db2.gz OVOHAAUDJCANQT-VXGBXAGGSA-N -1 0 306.366 -0.378 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000856996030 806105520 /nfs/dbraw/zinc/10/55/20/806105520.db2.gz RANQRHLFUNHSDA-MRVPVSSYSA-N -1 0 313.335 -0.775 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000856996031 806105970 /nfs/dbraw/zinc/10/59/70/806105970.db2.gz RANQRHLFUNHSDA-QMMMGPOBSA-N -1 0 313.335 -0.775 20 0 DBADRM Cc1ccc(COCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000857017615 806107169 /nfs/dbraw/zinc/10/71/69/806107169.db2.gz QHXICURUTPEEAV-UHFFFAOYSA-N -1 0 300.336 -0.557 20 0 DBADRM O=C([O-])C1CN(C(=O)NCCS(=O)(=O)CC(F)(F)F)C1 ZINC000857100766 806108363 /nfs/dbraw/zinc/10/83/63/806108363.db2.gz MSEFXSKOYDKJTR-UHFFFAOYSA-N -1 0 318.273 -0.311 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000857101110 806108395 /nfs/dbraw/zinc/10/83/95/806108395.db2.gz RZFBUKAECRHABR-QMTHXVAHSA-N -1 0 311.338 -0.953 20 0 DBADRM CNC(=O)CCCCC(=O)N1CC[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001317311325 806129564 /nfs/dbraw/zinc/12/95/64/806129564.db2.gz MXKJSNMOURTQHM-JTQLQIEISA-N -1 0 324.385 -0.493 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]Cc2nonc2C)on1 ZINC000859031602 806170282 /nfs/dbraw/zinc/17/02/82/806170282.db2.gz VZWSNUOGQBTWGX-UHFFFAOYSA-N -1 0 302.268 -0.369 20 0 DBADRM O=C1NCCCN1[N-]S(=O)(=O)c1cnnn1-c1ccccc1 ZINC000859122205 806174762 /nfs/dbraw/zinc/17/47/62/806174762.db2.gz DLGDYVFUISADKV-UHFFFAOYSA-N -1 0 322.350 -0.124 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C2COC(C)(C)OC2)on1 ZINC000859106423 806174827 /nfs/dbraw/zinc/17/48/27/806174827.db2.gz WIAJXZKAXDKWEG-UHFFFAOYSA-N -1 0 320.323 -0.109 20 0 DBADRM CCC[C@@H](NC(=O)Cc1ccc(C(N)=O)nc1)c1nnn[n-]1 ZINC000859944828 806211687 /nfs/dbraw/zinc/21/16/87/806211687.db2.gz DUFJEQAEELNPQF-SNVBAGLBSA-N -1 0 303.326 -0.106 20 0 DBADRM CCC[C@H](NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)c1nnn[n-]1 ZINC000859945334 806211802 /nfs/dbraw/zinc/21/18/02/806211802.db2.gz OZYDYGSYEWUBDJ-NFMCEHEJSA-N -1 0 321.337 -0.122 20 0 DBADRM CCC[C@H](NC(=O)Cc1ccc(C(N)=O)nc1)c1nnn[n-]1 ZINC000859944827 806212025 /nfs/dbraw/zinc/21/20/25/806212025.db2.gz DUFJEQAEELNPQF-JTQLQIEISA-N -1 0 303.326 -0.106 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H](c3nnn[n-]3)C2)O1 ZINC000860349095 806227236 /nfs/dbraw/zinc/22/72/36/806227236.db2.gz JNHZTTQWUOLVPX-AEJSXWLSSA-N -1 0 309.326 -0.374 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)O1 ZINC000860349096 806227306 /nfs/dbraw/zinc/22/73/06/806227306.db2.gz JNHZTTQWUOLVPX-BBBLOLIVSA-N -1 0 309.326 -0.374 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)[N-]S(C)(=O)=O ZINC000860446920 806231329 /nfs/dbraw/zinc/23/13/29/806231329.db2.gz SLFPITNSRLDSKN-SFYZADRCSA-N -1 0 308.356 -0.256 20 0 DBADRM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC000860447888 806231598 /nfs/dbraw/zinc/23/15/98/806231598.db2.gz DISIUGLUDWJVHU-MNOVXSKESA-N -1 0 312.347 -0.167 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1 ZINC000860446764 806231821 /nfs/dbraw/zinc/23/18/21/806231821.db2.gz YHARZCSFGZRJMQ-MNOVXSKESA-N -1 0 312.347 -0.167 20 0 DBADRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)cc1 ZINC000860446429 806231845 /nfs/dbraw/zinc/23/18/45/806231845.db2.gz JDPNBZBXNKVJNG-JTQLQIEISA-N -1 0 312.303 -0.198 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccs2)O1 ZINC000860445056 806231877 /nfs/dbraw/zinc/23/18/77/806231877.db2.gz RWCCCMDZIGAZKC-NKWVEPMBSA-N -1 0 304.349 -0.414 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cc(C)cn2ccnc12 ZINC000860536512 806235564 /nfs/dbraw/zinc/23/55/64/806235564.db2.gz CIRWXMDGUXRVKZ-UHFFFAOYSA-N -1 0 311.319 -0.125 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)Cn1cc(C(=O)OC)cn1 ZINC000860536793 806235586 /nfs/dbraw/zinc/23/55/86/806235586.db2.gz AYYCMEJEIIQPNO-UHFFFAOYSA-N -1 0 319.339 -0.848 20 0 DBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)N2CCCC2)c1 ZINC000860496861 806232653 /nfs/dbraw/zinc/23/26/53/806232653.db2.gz YJRGSNOWHOGMHW-UHFFFAOYSA-N -1 0 316.339 -0.874 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)c1ccnc(N2CCOCC2)n1 ZINC000860558277 806236331 /nfs/dbraw/zinc/23/63/31/806236331.db2.gz QYQXQTIYRAYBBO-UHFFFAOYSA-N -1 0 314.367 -0.217 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860558286 806236605 /nfs/dbraw/zinc/23/66/05/806236605.db2.gz RBCCPENKYKHMNY-VIFPVBQESA-N -1 0 314.367 -0.371 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CNC(=O)c2ccccc21 ZINC000860568082 806236897 /nfs/dbraw/zinc/23/68/97/806236897.db2.gz WJMXDKHTFQQOID-NSHDSACASA-N -1 0 311.363 -0.174 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccccn1)c1cn2c(n1)COCC2 ZINC000860552939 806236908 /nfs/dbraw/zinc/23/69/08/806236908.db2.gz YXQMZDWJIJTMLM-UHFFFAOYSA-N -1 0 308.319 -0.073 20 0 DBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)CCCF)c1 ZINC000860582738 806237384 /nfs/dbraw/zinc/23/73/84/806237384.db2.gz UASFDOFOYZDASL-UHFFFAOYSA-N -1 0 307.303 -0.525 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000860598339 806238092 /nfs/dbraw/zinc/23/80/92/806238092.db2.gz MNSTVCGMGYDBPF-VLEAKVRGSA-N -1 0 308.400 -0.015 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cn2c(n1)COCC2 ZINC000860599843 806238245 /nfs/dbraw/zinc/23/82/45/806238245.db2.gz VLNJEIKSDFTMEN-UHFFFAOYSA-N -1 0 302.356 -0.270 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1nn(C)cc1Cl ZINC000860596972 806238279 /nfs/dbraw/zinc/23/82/79/806238279.db2.gz CGWYRAZAWRDJCP-UHFFFAOYSA-N -1 0 310.763 -0.374 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)Cn1cncc1C ZINC000860612760 806239117 /nfs/dbraw/zinc/23/91/17/806239117.db2.gz JLZDERQYJJMVIF-UHFFFAOYSA-N -1 0 305.356 -0.699 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)NC(C)=O ZINC000860650616 806240197 /nfs/dbraw/zinc/24/01/97/806240197.db2.gz RKWJAWFLQYZOPN-WCBMZHEXSA-N -1 0 322.383 -0.455 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)COCC(F)F ZINC000860664605 806241584 /nfs/dbraw/zinc/24/15/84/806241584.db2.gz CBOJTXTWQBDLAU-RNFRBKRXSA-N -1 0 317.310 -0.088 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C ZINC000860667018 806241642 /nfs/dbraw/zinc/24/16/42/806241642.db2.gz XDZGIHUPQNPSCE-BBBLOLIVSA-N -1 0 322.383 -0.599 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@H]2CCC(=O)NC2)cn1 ZINC000860762967 806245292 /nfs/dbraw/zinc/24/52/92/806245292.db2.gz BUCZWIYKELGQDT-VIFPVBQESA-N -1 0 313.335 -0.112 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cn3c(n2)COCC3)CC1 ZINC000860776122 806245983 /nfs/dbraw/zinc/24/59/83/806245983.db2.gz ASPRRBAAPSXTPD-UHFFFAOYSA-N -1 0 315.351 -0.348 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1c(C)cnn1C)C(C)C ZINC000860785400 806246167 /nfs/dbraw/zinc/24/61/67/806246167.db2.gz WSRYEXVEQXRMQR-SNVBAGLBSA-N -1 0 316.383 -0.306 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cccnn1 ZINC000860778870 806246509 /nfs/dbraw/zinc/24/65/09/806246509.db2.gz OARTZMGKKVWHKY-UHFFFAOYSA-N -1 0 301.324 -0.265 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cccn1C)C(C)C ZINC000860825956 806248612 /nfs/dbraw/zinc/24/86/12/806248612.db2.gz SDKZMWPKYMXHSR-LLVKDONJSA-N -1 0 301.368 -0.009 20 0 DBADRM CCn1cnnc1CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001317988481 806248951 /nfs/dbraw/zinc/24/89/51/806248951.db2.gz ORHFTEGTDFGGKL-UHFFFAOYSA-N -1 0 315.293 -0.023 20 0 DBADRM CCCOCC(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001318006951 806250007 /nfs/dbraw/zinc/25/00/07/806250007.db2.gz IYUKUGXEFPJDPN-UHFFFAOYSA-N -1 0 319.365 -0.250 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)C1CC1 ZINC000860864913 806250424 /nfs/dbraw/zinc/25/04/24/806250424.db2.gz JISYVNIZVUGEEX-VIFPVBQESA-N -1 0 317.323 -0.607 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C(C)C)OC ZINC000860890273 806251200 /nfs/dbraw/zinc/25/12/00/806251200.db2.gz BTOXMSQOPPRZEN-GHMZBOCLSA-N -1 0 324.399 -0.746 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)C1CC1 ZINC000860892901 806251244 /nfs/dbraw/zinc/25/12/44/806251244.db2.gz ZBXDXPPBOPBZSS-MNOVXSKESA-N -1 0 309.384 -0.091 20 0 DBADRM CCn1cc(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)c(C)n1 ZINC000860891858 806251315 /nfs/dbraw/zinc/25/13/15/806251315.db2.gz MCPDVLFPSNXMLL-JTQLQIEISA-N -1 0 319.383 -0.068 20 0 DBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)CC(F)F)c1 ZINC000860877387 806251344 /nfs/dbraw/zinc/25/13/44/806251344.db2.gz OQUKRJKRPZJRRC-UHFFFAOYSA-N -1 0 311.266 -0.619 20 0 DBADRM CN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001318025222 806252721 /nfs/dbraw/zinc/25/27/21/806252721.db2.gz DXDXIRHOMKUQKX-WDSKDSINSA-N -1 0 317.289 -0.634 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861162472 806260196 /nfs/dbraw/zinc/26/01/96/806260196.db2.gz UEZZSRUAYXOPAJ-YFKPBYRVSA-N -1 0 300.283 -0.025 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000861143104 806257816 /nfs/dbraw/zinc/25/78/16/806257816.db2.gz HYDPUNWLECZIIL-QMMMGPOBSA-N -1 0 308.356 -0.302 20 0 DBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)CC1 ZINC000861140355 806257988 /nfs/dbraw/zinc/25/79/88/806257988.db2.gz QLDWEYAQISSZLQ-MRVPVSSYSA-N -1 0 305.352 -0.047 20 0 DBADRM O=C([N-]S(=O)(=O)c1csnc1Cl)[C@@H]1COC(=O)N1 ZINC000861399348 806267569 /nfs/dbraw/zinc/26/75/69/806267569.db2.gz IQFOVEKXZKXGTM-VKHMYHEASA-N -1 0 311.728 -0.290 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)O1 ZINC000861453516 806268215 /nfs/dbraw/zinc/26/82/15/806268215.db2.gz UGJLBPPLBRPXOX-ZJUUUORDSA-N -1 0 324.337 -0.063 20 0 DBADRM COC(=O)C1=CC[C@@H](NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000861467443 806268904 /nfs/dbraw/zinc/26/89/04/806268904.db2.gz FYDMAKURPUBSMW-UEKVPHQBSA-N -1 0 324.333 -0.009 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)O1 ZINC000861551486 806274044 /nfs/dbraw/zinc/27/40/44/806274044.db2.gz CMLLBQZSBLFCCL-BBBLOLIVSA-N -1 0 324.337 -0.063 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCO[C@H](CCF)C1 ZINC000861718594 806283167 /nfs/dbraw/zinc/28/31/67/806283167.db2.gz NJKKYRLMANTVHU-SNVBAGLBSA-N -1 0 304.318 -0.056 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCCO2)CC[C@H]1C(=O)[O-] ZINC000861716306 806283498 /nfs/dbraw/zinc/28/34/98/806283498.db2.gz QYOYJEKXWAGAHJ-OUAUKWLOSA-N -1 0 314.338 -0.913 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000861720761 806283568 /nfs/dbraw/zinc/28/35/68/806283568.db2.gz GPGUYSGZOPODNH-CYBMUJFWSA-N -1 0 309.326 -0.763 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000861722182 806284093 /nfs/dbraw/zinc/28/40/93/806284093.db2.gz CIQVZBZOFDCOGR-XHDPSFHLSA-N -1 0 312.366 -0.022 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000861720800 806284217 /nfs/dbraw/zinc/28/42/17/806284217.db2.gz HRTCIADEZMRQMK-PGUXBMHVSA-N -1 0 310.350 -0.007 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC000861721190 806284269 /nfs/dbraw/zinc/28/42/69/806284269.db2.gz QHTICLBRVQNKCM-ZJUUUORDSA-N -1 0 323.353 -0.517 20 0 DBADRM CCOC(=O)C1=CC[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000861723481 806284396 /nfs/dbraw/zinc/28/43/96/806284396.db2.gz JNJFIDONOCBKOU-WCBMZHEXSA-N -1 0 312.322 -0.409 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)n1 ZINC000861722151 806284462 /nfs/dbraw/zinc/28/44/62/806284462.db2.gz CEHCRKZESFAFQQ-LLVKDONJSA-N -1 0 323.353 -0.469 20 0 DBADRM COC(=O)C1=CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC000861720988 806284606 /nfs/dbraw/zinc/28/46/06/806284606.db2.gz LXSCNPMOMOGEBM-PSASIEDQSA-N -1 0 312.322 -0.457 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)n1 ZINC000861721469 806284665 /nfs/dbraw/zinc/28/46/65/806284665.db2.gz UJYJJOOKNBOJJO-UHFFFAOYSA-N -1 0 323.353 -0.373 20 0 DBADRM CCN(CC)S(=O)(=O)[N-]C(=O)CCSCC(=O)OC ZINC001318428079 806298605 /nfs/dbraw/zinc/29/86/05/806298605.db2.gz WHNRCBWFTSJYHL-UHFFFAOYSA-N -1 0 312.413 -0.015 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)N(C)C)c1 ZINC001318425323 806297306 /nfs/dbraw/zinc/29/73/06/806297306.db2.gz JAYSBWUHFRIQEP-PLNGDYQASA-N -1 0 312.351 -0.623 20 0 DBADRM CON1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC000861923703 806302879 /nfs/dbraw/zinc/30/28/79/806302879.db2.gz CBDRIPOBJVYOMM-UHFFFAOYSA-N -1 0 314.367 -0.228 20 0 DBADRM COCCOCCNC(=O)Cc1c(C)nc2cc[n-]n2c1=O ZINC001318524427 806309607 /nfs/dbraw/zinc/30/96/07/806309607.db2.gz SLVWFCAQCFTSRE-UHFFFAOYSA-N -1 0 308.338 -0.347 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC000862130405 806312309 /nfs/dbraw/zinc/31/23/09/806312309.db2.gz HEKIQHZLZKKMIX-UHFFFAOYSA-N -1 0 307.306 -0.161 20 0 DBADRM NC(=O)NCCCCC(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC001318925359 806333460 /nfs/dbraw/zinc/33/34/60/806333460.db2.gz KNKBTTCSBHTWBC-UHFFFAOYSA-N -1 0 305.278 -0.167 20 0 DBADRM CCOC(=O)C1=CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000862876565 806341203 /nfs/dbraw/zinc/34/12/03/806341203.db2.gz OHUQLZXHUPWZQF-VIFPVBQESA-N -1 0 307.306 -0.132 20 0 DBADRM CCOC[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCO1 ZINC000862959154 806341607 /nfs/dbraw/zinc/34/16/07/806341607.db2.gz NRFAJIDCYRVAED-JTQLQIEISA-N -1 0 321.337 -0.665 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000863006205 806343534 /nfs/dbraw/zinc/34/35/34/806343534.db2.gz NQKDFQOMCAFVJA-SREGZZRCSA-N -1 0 305.338 -0.001 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)c1n[n-]c2ccccc2c1=O ZINC000863017074 806345235 /nfs/dbraw/zinc/34/52/35/806345235.db2.gz ZXPVOUISWQHXMT-QMMMGPOBSA-N -1 0 305.290 -0.011 20 0 DBADRM CCO[C@H](CS(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])C1CC1 ZINC000863408812 806356077 /nfs/dbraw/zinc/35/60/77/806356077.db2.gz RETTZRWDNKNDPY-OUAUKWLOSA-N -1 0 307.368 -0.349 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])nc1C ZINC000863411005 806356163 /nfs/dbraw/zinc/35/61/63/806356163.db2.gz RBZVVMZJXVDRIL-SECBINFHSA-N -1 0 303.340 -0.078 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])cn1 ZINC000863407781 806356170 /nfs/dbraw/zinc/35/61/70/806356170.db2.gz KUYIOEUXIQFZRN-SNVBAGLBSA-N -1 0 319.339 -0.760 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])cn1 ZINC000863409310 806356477 /nfs/dbraw/zinc/35/64/77/806356477.db2.gz YJTJAXGFVLAAHM-SECBINFHSA-N -1 0 302.308 -0.199 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-])cn1C ZINC000863419063 806356724 /nfs/dbraw/zinc/35/67/24/806356724.db2.gz RCURSJURBBJXQD-VIFPVBQESA-N -1 0 305.356 -0.115 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2CCCOC2)C1 ZINC000863430005 806356782 /nfs/dbraw/zinc/35/67/82/806356782.db2.gz NHPDTLYFNHRSPB-ZYHUDNBSSA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)C[C@H]1C(=O)[O-] ZINC000863745966 806370337 /nfs/dbraw/zinc/37/03/37/806370337.db2.gz DOEQOSIQZBSKGI-GWOFURMSSA-N -1 0 324.333 -0.813 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)c2cc(C(=O)[O-])nn2C)CS1(=O)=O ZINC000864057812 806385756 /nfs/dbraw/zinc/38/57/56/806385756.db2.gz NJIUEAGKUFFAGN-HTQZYQBOSA-N -1 0 315.351 -0.186 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@]3(C(=O)[O-])C[C@H]3C)C[C@H]21 ZINC000864057459 806386538 /nfs/dbraw/zinc/38/65/38/806386538.db2.gz MKOSWZCNMDAEHF-DUYQIWHPSA-N -1 0 317.363 -0.632 20 0 DBADRM O=C(Cc1ccc(-n2cnnn2)cc1)NCc1nc(=O)o[n-]1 ZINC001319545225 806390151 /nfs/dbraw/zinc/39/01/51/806390151.db2.gz MYQQQYMAEMGVRP-UHFFFAOYSA-N -1 0 301.266 -0.803 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@](F)(C(=O)[O-])C2)C1 ZINC000864125204 806390368 /nfs/dbraw/zinc/39/03/68/806390368.db2.gz YOWNSXGGSXWELT-CABZTGNLSA-N -1 0 322.358 -0.317 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000864118094 806390611 /nfs/dbraw/zinc/39/06/11/806390611.db2.gz FXPXRZBTMKOZCB-PRJMDXOYSA-N -1 0 313.228 -0.355 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)c1cncc(C(=O)[O-])c1 ZINC000864108732 806390705 /nfs/dbraw/zinc/39/07/05/806390705.db2.gz GPTGJZOPCVELPZ-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM COC[C@@](C)(NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-] ZINC000864127428 806390758 /nfs/dbraw/zinc/39/07/58/806390758.db2.gz WGOWNVHOTVWVHC-MATHAZKKSA-N -1 0 315.244 -0.061 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)c1cc(C(=O)[O-])cnc1C ZINC000864108672 806390774 /nfs/dbraw/zinc/39/07/74/806390774.db2.gz DRZRABBLNXTAJG-UHFFFAOYSA-N -1 0 315.351 -0.243 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)CCN2CCCS2(=O)=O)C1 ZINC000864162819 806391023 /nfs/dbraw/zinc/39/10/23/806391023.db2.gz NWXZVWWENRDJDK-JTQLQIEISA-N -1 0 302.352 -0.298 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC000864161944 806391161 /nfs/dbraw/zinc/39/11/61/806391161.db2.gz FYICWTVGHWFTBZ-SNVBAGLBSA-N -1 0 302.290 -0.214 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)COCc2ccnn2C)C1 ZINC000864145867 806391173 /nfs/dbraw/zinc/39/11/73/806391173.db2.gz OHIJXGSFDUQCKV-CQSZACIVSA-N -1 0 311.338 -0.114 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000864190063 806391920 /nfs/dbraw/zinc/39/19/20/806391920.db2.gz XLHUKPWFHMGTGF-JNQBIPAQSA-N -1 0 321.333 -0.533 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC000864193956 806392205 /nfs/dbraw/zinc/39/22/05/806392205.db2.gz RKKBJDHPZHMUNV-GWCFXTLKSA-N -1 0 316.379 -0.095 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)S1(=O)=O ZINC000864201222 806392359 /nfs/dbraw/zinc/39/23/59/806392359.db2.gz PLRSONMMHLEKMD-CABZTGNLSA-N -1 0 304.368 -0.220 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC2CC(C(=O)[O-])C2)c1 ZINC000864206321 806392464 /nfs/dbraw/zinc/39/24/64/806392464.db2.gz JIUVXSPUXQLTFH-UHFFFAOYSA-N -1 0 315.351 -0.142 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC(C(=O)[O-])C2)c(Br)n1 ZINC000864431106 806395586 /nfs/dbraw/zinc/39/55/86/806395586.db2.gz DGDZXQHFZBRBIO-UHFFFAOYSA-N -1 0 324.156 -0.112 20 0 DBADRM CO[C@@H]1CN(C(=O)NC[C@@H]2COCCO2)[C@@](C)(C(=O)[O-])C1 ZINC000864527127 806396617 /nfs/dbraw/zinc/39/66/17/806396617.db2.gz WTQXXYMWKQWKTN-OPQQBVKSSA-N -1 0 302.327 -0.325 20 0 DBADRM O=C(CN1CCSC1=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC001319805906 806410468 /nfs/dbraw/zinc/41/04/68/806410468.db2.gz ZBUXWRGJRKCRQV-MRVPVSSYSA-N -1 0 308.381 -0.362 20 0 DBADRM CSc1ccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cn1 ZINC001319936782 806420240 /nfs/dbraw/zinc/42/02/40/806420240.db2.gz IJCMIJWMUHFYGW-UHFFFAOYSA-N -1 0 308.323 -0.118 20 0 DBADRM Cc1cc(NC(=O)CSCC(=O)[N-]OCC(N)=O)no1 ZINC001319993641 806427501 /nfs/dbraw/zinc/42/75/01/806427501.db2.gz LLCMYNIROIFFPO-UHFFFAOYSA-N -1 0 302.312 -0.812 20 0 DBADRM O=C(Cn1ncc2ccccc2c1=O)OCc1n[nH]c(=O)[n-]1 ZINC001320041927 806433271 /nfs/dbraw/zinc/43/32/71/806433271.db2.gz QDMOXXHVKVHEEA-UHFFFAOYSA-N -1 0 301.262 -0.036 20 0 DBADRM Cn1ncc(I)c1CN=c1nn[n-]n1C ZINC000866291968 806437947 /nfs/dbraw/zinc/43/79/47/806437947.db2.gz MVKDDWQLJRZZRH-UHFFFAOYSA-N -1 0 319.110 -0.418 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H]1COCCO1 ZINC000866560294 806445622 /nfs/dbraw/zinc/44/56/22/806445622.db2.gz RPEFPQTZFMKOFV-SECBINFHSA-N -1 0 300.402 -0.256 20 0 DBADRM Cc1cnn(CC2CC2)c1NC(=O)C(=O)NCc1nnn[n-]1 ZINC001320216712 806454368 /nfs/dbraw/zinc/45/43/68/806454368.db2.gz WZBAWLUIKGYNOE-UHFFFAOYSA-N -1 0 304.314 -0.630 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CN1CCSC1=O ZINC001320262975 806465065 /nfs/dbraw/zinc/46/50/65/806465065.db2.gz ZQNDNUGAIZEYNL-UHFFFAOYSA-N -1 0 304.353 -0.606 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](C)[C@H]1CN(C)CCO1 ZINC000866988935 806466899 /nfs/dbraw/zinc/46/68/99/806466899.db2.gz TUIRMKTWGJHNMC-VOQFUICPSA-N -1 0 313.445 -0.342 20 0 DBADRM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)[C@H]1OC ZINC000867106293 806471881 /nfs/dbraw/zinc/47/18/81/806471881.db2.gz ABEZDMPZJKQBSC-IWSPIJDZSA-N -1 0 300.402 -0.259 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@]1(OC)CCOC1 ZINC000867110241 806472959 /nfs/dbraw/zinc/47/29/59/806472959.db2.gz XMLCORAGJYAYPP-XLFHBGCDSA-N -1 0 300.402 -0.256 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1cn(Cc2cccs2)nn1 ZINC001320367133 806481069 /nfs/dbraw/zinc/48/10/69/806481069.db2.gz YKXYXPBENIUXRU-UHFFFAOYSA-N -1 0 306.307 -0.006 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H](CCOC)COC ZINC000867282871 806484765 /nfs/dbraw/zinc/48/47/65/806484765.db2.gz VISUNUKBKGQUFZ-HUTHGQBESA-N -1 0 302.418 -0.010 20 0 DBADRM C[C@H](CN(C)C(=O)c1cnc2c(c1)nnn2C)c1nnn[n-]1 ZINC001320398582 806485414 /nfs/dbraw/zinc/48/54/14/806485414.db2.gz LKQYMLIHLSXEQG-SSDOTTSWSA-N -1 0 301.314 -0.248 20 0 DBADRM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)N=[S@](C)(=O)CC ZINC000867367670 806492617 /nfs/dbraw/zinc/49/26/17/806492617.db2.gz GJGBCWPOEXIBHA-CGMALJKESA-N -1 0 300.402 -0.258 20 0 DBADRM Cc1cc(C)n2nc(C(=O)[N-]N3CC(=O)N(C)C3=O)nc2n1 ZINC001320527305 806498329 /nfs/dbraw/zinc/49/83/29/806498329.db2.gz ZANMLKVCSWEBSB-UHFFFAOYSA-N -1 0 303.282 -0.720 20 0 DBADRM CN(C)C(=O)C1([N-]S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC000867403908 806496339 /nfs/dbraw/zinc/49/63/39/806496339.db2.gz ZFDPUXCSROTLLZ-UHFFFAOYSA-N -1 0 309.413 -0.297 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC001320609430 806509788 /nfs/dbraw/zinc/50/97/88/806509788.db2.gz WUFVTSYSXREWJA-UHFFFAOYSA-N -1 0 306.200 -0.428 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 ZINC001320619920 806510192 /nfs/dbraw/zinc/51/01/92/806510192.db2.gz RJHCHZSGIRHJCK-UHFFFAOYSA-N -1 0 317.323 -0.317 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(S(=O)(=O)C2COC2)C1 ZINC000867889532 806531496 /nfs/dbraw/zinc/53/14/96/806531496.db2.gz ALZIXOXOAARWAN-VIFPVBQESA-N -1 0 316.301 -0.142 20 0 DBADRM COC(=O)c1sccc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC001320912981 806541118 /nfs/dbraw/zinc/54/11/18/806541118.db2.gz UTZNINCQMMMGAZ-UHFFFAOYSA-N -1 0 310.295 -0.697 20 0 DBADRM CCc1ccc(NC(=O)C(=O)[N-]OC)cc1S(N)(=O)=O ZINC001320923819 806542525 /nfs/dbraw/zinc/54/25/25/806542525.db2.gz VSBHKSLMIKCFTQ-UHFFFAOYSA-N -1 0 301.324 -0.488 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC001320922409 806542642 /nfs/dbraw/zinc/54/26/42/806542642.db2.gz GMDRVWBWZCEKTO-UHFFFAOYSA-N -1 0 321.333 -0.296 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC([C@H]3CCOC3)C2)C1 ZINC000868340613 806544568 /nfs/dbraw/zinc/54/45/68/806544568.db2.gz ZDHTZWOBNFZDIO-MNOVXSKESA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C[C@H]1CO ZINC000868342241 806544613 /nfs/dbraw/zinc/54/46/13/806544613.db2.gz ADCDCDJGUPYOJZ-TUAOUCFPSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@]12COC[C@@H]1CN(C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)C2 ZINC000868344720 806544298 /nfs/dbraw/zinc/54/42/98/806544298.db2.gz SHOOPXKPOJACRJ-JRPNMDOOSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001321021996 806557540 /nfs/dbraw/zinc/55/75/40/806557540.db2.gz AGIPPJXOLKJKMG-GPYPMJJRSA-N -1 0 309.326 -0.775 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H]1CC2(CO1)CCOCC2 ZINC000868748367 806563625 /nfs/dbraw/zinc/56/36/25/806563625.db2.gz QEAFBWFEGTVXJV-NSHDSACASA-N -1 0 315.370 -0.061 20 0 DBADRM CC[C@@]1(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001321095787 806570518 /nfs/dbraw/zinc/57/05/18/806570518.db2.gz DXFRKHZFUWWDTM-NQHOJNORSA-N -1 0 322.369 -0.811 20 0 DBADRM COc1cncc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1 ZINC001321150495 806580402 /nfs/dbraw/zinc/58/04/02/806580402.db2.gz SGVKOMMHEJTHCF-UHFFFAOYSA-N -1 0 300.296 -0.823 20 0 DBADRM CCO[C@@H](C(=O)[N-]S(=O)(=O)N1CCCC1)[C@H]1CCOC1 ZINC000870168627 806595986 /nfs/dbraw/zinc/59/59/86/806595986.db2.gz HBMBUXJRGIEJNC-WDEREUQCSA-N -1 0 306.384 -0.115 20 0 DBADRM CC(C)C[C@@]1(C(=O)[N-]S(=O)(=O)N2CCCC2)CCNC1=O ZINC000870168392 806596531 /nfs/dbraw/zinc/59/65/31/806596531.db2.gz BGSKDQMKOWEZDS-ZDUSSCGKSA-N -1 0 317.411 -0.004 20 0 DBADRM COCCn1ncc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1C ZINC000870203294 806597217 /nfs/dbraw/zinc/59/72/17/806597217.db2.gz CTRIVHLJONMFJI-SNVBAGLBSA-N -1 0 317.367 -0.314 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000870203559 806597372 /nfs/dbraw/zinc/59/73/72/806597372.db2.gz JMAVDDWIENVCQG-AXFHLTTASA-N -1 0 307.368 -0.337 20 0 DBADRM Cc1cc(F)ncc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000870214713 806597388 /nfs/dbraw/zinc/59/73/88/806597388.db2.gz RXGYIEBAFVISLG-UHFFFAOYSA-N -1 0 303.315 -0.164 20 0 DBADRM CCO[C@@H](C(=O)[N-]S(=O)(=O)N(C)CCOC)[C@H]1CCOC1 ZINC000870236924 806598308 /nfs/dbraw/zinc/59/83/08/806598308.db2.gz YNURURLXNLIXMO-WDEREUQCSA-N -1 0 324.399 -0.633 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)N(C)CCOC)[C@H]1CCOC1 ZINC000870236923 806598698 /nfs/dbraw/zinc/59/86/98/806598698.db2.gz YNURURLXNLIXMO-QWRGUYRKSA-N -1 0 324.399 -0.633 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)cn1 ZINC000870277416 806598749 /nfs/dbraw/zinc/59/87/49/806598749.db2.gz DFPFERCFKLQLTF-LLVKDONJSA-N -1 0 317.367 -0.232 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000870351722 806599939 /nfs/dbraw/zinc/59/99/39/806599939.db2.gz ABJWEWXMYXPLER-NEPJUHHUSA-N -1 0 318.395 -0.130 20 0 DBADRM CNC(=O)C1(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)CCC1 ZINC001321348976 806610891 /nfs/dbraw/zinc/61/08/91/806610891.db2.gz HQYDRBXSXZPTSS-NSCUHMNNSA-N -1 0 322.369 -0.811 20 0 DBADRM Cc1nn(C)c(F)c1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001321362725 806613804 /nfs/dbraw/zinc/61/38/04/806613804.db2.gz FDBVJRGOUVEUKW-ARJAWSKDSA-N -1 0 323.332 -0.233 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001321362716 806613999 /nfs/dbraw/zinc/61/39/99/806613999.db2.gz DXHDETVGDGKQDZ-PBKGFPTLSA-N -1 0 322.369 -0.717 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC001321417097 806623473 /nfs/dbraw/zinc/62/34/73/806623473.db2.gz XHKGGJOQGRNWPH-SNVBAGLBSA-N -1 0 312.326 -0.448 20 0 DBADRM CC1(C)CN(S(=O)(=O)C[C@H]2CCOC2)[C@@H](C(=O)[O-])CO1 ZINC000871742074 806641304 /nfs/dbraw/zinc/64/13/04/806641304.db2.gz JRNXYNUCZCMSPU-VHSXEESVSA-N -1 0 307.368 -0.083 20 0 DBADRM COCCS(=O)(=O)N1CC[C@H]([C@H]2CCCO2)[C@H]1C(=O)[O-] ZINC000871740405 806641429 /nfs/dbraw/zinc/64/14/29/806641429.db2.gz NIHKARPZVBXXDB-MXWKQRLJSA-N -1 0 307.368 -0.083 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-] ZINC000871778231 806642467 /nfs/dbraw/zinc/64/24/67/806642467.db2.gz ZDBLBTJMYQBZRQ-WOPDTQHZSA-N -1 0 318.395 -0.006 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC001321579085 806642875 /nfs/dbraw/zinc/64/28/75/806642875.db2.gz CXAWWICJAKKXSR-NSHDSACASA-N -1 0 321.333 -0.077 20 0 DBADRM CCOC(=O)c1[n-]n([C@@H]2CCCS(=O)(=O)C2)c(=O)c1C ZINC000871962509 806644906 /nfs/dbraw/zinc/64/49/06/806644906.db2.gz DBSLCFAHIOPKGQ-DTWKUNHWSA-N -1 0 302.352 -0.039 20 0 DBADRM CCOC(=O)c1[n-]n(C2CCS(=O)(=O)CC2)c(=O)c1C ZINC000871957858 806645061 /nfs/dbraw/zinc/64/50/61/806645061.db2.gz OFMATHIPDTTYIW-MRVPVSSYSA-N -1 0 302.352 -0.039 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000871996073 806645731 /nfs/dbraw/zinc/64/57/31/806645731.db2.gz LUODNUWHZPPRCG-KUYXLPFXSA-N -1 0 316.379 -0.207 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000871995560 806646622 /nfs/dbraw/zinc/64/66/22/806646622.db2.gz BJAVQGHJRYGPKL-WPCZNGEBSA-N -1 0 304.368 -0.349 20 0 DBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)CCCC(=O)[O-])CC1 ZINC000872994017 806681870 /nfs/dbraw/zinc/68/18/70/806681870.db2.gz RVQGVSSWFIYCKT-UHFFFAOYSA-N -1 0 321.399 -0.418 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC000873503899 806686208 /nfs/dbraw/zinc/68/62/08/806686208.db2.gz OCXJDOQHXKHLJB-RITPCOANSA-N -1 0 302.274 -0.233 20 0 DBADRM CC(C)N1C[C@H](NC(=O)C(=O)[N-]OC2CCOCC2)CC1=O ZINC001322185887 806719631 /nfs/dbraw/zinc/71/96/31/806719631.db2.gz JQMVLBKDKOVECA-SNVBAGLBSA-N -1 0 313.354 -0.661 20 0 DBADRM CC(C)=CCN1CCO[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001035430753 814933134 /nfs/dbraw/zinc/93/31/34/814933134.db2.gz APJNZPUGIAAHEJ-JTQLQIEISA-N -1 0 323.353 -0.320 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC001322515191 806748134 /nfs/dbraw/zinc/74/81/34/806748134.db2.gz VEQCESQDTRHBCR-ZJUUUORDSA-N -1 0 322.383 -0.400 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC000875563608 806753839 /nfs/dbraw/zinc/75/38/39/806753839.db2.gz PUXGPIRIOZMPRC-UHFFFAOYSA-N -1 0 315.370 -0.555 20 0 DBADRM COc1ccccc1CO[N-]C(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC001322660035 806766210 /nfs/dbraw/zinc/76/62/10/806766210.db2.gz ZXMNDNPVQTYGIX-LLVKDONJSA-N -1 0 321.333 -0.410 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCc1nc(C(C)C)no1 ZINC001322666295 806767628 /nfs/dbraw/zinc/76/76/28/806767628.db2.gz PNRPFDOZEPPZCU-UHFFFAOYSA-N -1 0 300.315 -0.454 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)[C@H]1CCCCN(C)C1=O ZINC000875697950 806762794 /nfs/dbraw/zinc/76/27/94/806762794.db2.gz JAYHROINUWSBBI-JTQLQIEISA-N -1 0 300.359 -0.294 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC001322658767 806765606 /nfs/dbraw/zinc/76/56/06/806765606.db2.gz NJZQKRISGPHCQG-SECBINFHSA-N -1 0 315.395 -0.476 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC001323115024 806826500 /nfs/dbraw/zinc/82/65/00/806826500.db2.gz NPIRQSAXOMWXNK-UHFFFAOYSA-N -1 0 315.215 -0.132 20 0 DBADRM CN1C(=O)c2ccc(C(=O)NCc3nc(=O)o[n-]3)cc2C1=O ZINC001323153942 806829371 /nfs/dbraw/zinc/82/93/71/806829371.db2.gz BQUWCQHNNXLSLM-UHFFFAOYSA-N -1 0 302.246 -0.481 20 0 DBADRM CCS(=O)(=O)CCNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001323160486 806829442 /nfs/dbraw/zinc/82/94/42/806829442.db2.gz WDKGLUGGKLQQNO-UHFFFAOYSA-N -1 0 320.289 -0.463 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)C(=O)[N-]OC2CCOCC2)O1 ZINC001323238716 806840792 /nfs/dbraw/zinc/84/07/92/806840792.db2.gz QZFHMDBAUUNVCK-JTQLQIEISA-N -1 0 302.327 -0.519 20 0 DBADRM O=C([N-]OCc1ccccc1)C(=O)NCc1nnnn1C1CC1 ZINC001323270475 806848100 /nfs/dbraw/zinc/84/81/00/806848100.db2.gz OVYIPLRCWIBIDM-UHFFFAOYSA-N -1 0 316.321 -0.128 20 0 DBADRM COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)[N-]OCC(C)C ZINC001323271352 806848272 /nfs/dbraw/zinc/84/82/72/806848272.db2.gz WDXLJZZZRMJNHL-NEPJUHHUSA-N -1 0 318.370 -0.373 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CN2CCSC2=O)cn1 ZINC001323316625 806854934 /nfs/dbraw/zinc/85/49/34/806854934.db2.gz HARFLAQFNNDGPG-UHFFFAOYSA-N -1 0 304.353 -0.606 20 0 DBADRM Cn1[nH]cnc1=NC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879004102 806873876 /nfs/dbraw/zinc/87/38/76/806873876.db2.gz XTKGEZZXRHLAGQ-JTQLQIEISA-N -1 0 320.275 -0.088 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001323447913 806875763 /nfs/dbraw/zinc/87/57/63/806875763.db2.gz ZZBVZRAJDWQZBP-JTQLQIEISA-N -1 0 320.353 -0.165 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC001323761715 806912276 /nfs/dbraw/zinc/91/22/76/806912276.db2.gz IAHUHKMDWAFESO-WDEREUQCSA-N -1 0 315.370 -0.558 20 0 DBADRM Cn1ncc2cc(S(=O)(=O)NCc3nc(=O)o[n-]3)cnc21 ZINC001323922773 806928969 /nfs/dbraw/zinc/92/89/69/806928969.db2.gz GEJBZWKYRKEUKX-UHFFFAOYSA-N -1 0 310.295 -0.877 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC001323929513 806929044 /nfs/dbraw/zinc/92/90/44/806929044.db2.gz JHTULDWAYQLDGK-CMPLNLGQSA-N -1 0 300.355 -0.120 20 0 DBADRM CC(C)OC(=O)CCCNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001323938173 806930563 /nfs/dbraw/zinc/93/05/63/806930563.db2.gz NFOVYCVBUZGOFG-NSHDSACASA-N -1 0 316.354 -0.081 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1nnc(SC)s1 ZINC001323951646 806931018 /nfs/dbraw/zinc/93/10/18/806931018.db2.gz POKRFJWJFXXFAR-UHFFFAOYSA-N -1 0 306.369 -0.430 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001324141749 806946974 /nfs/dbraw/zinc/94/69/74/806946974.db2.gz NNGLCQXJUUAXCQ-UHFFFAOYSA-N -1 0 315.370 -0.508 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCOc1ncccc1Cl ZINC001324302804 806962713 /nfs/dbraw/zinc/96/27/13/806962713.db2.gz BRJOZGVUONMTKD-UHFFFAOYSA-N -1 0 317.729 -0.076 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cnc(C(=O)OC)cn2)C1=O ZINC001324318641 806963354 /nfs/dbraw/zinc/96/33/54/806963354.db2.gz AIDNUPHCUDLZCX-ZDUSSCGKSA-N -1 0 321.293 -0.372 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC001324382565 806969305 /nfs/dbraw/zinc/96/93/05/806969305.db2.gz JAZIOFIWAMDTGA-LLVKDONJSA-N -1 0 323.305 -0.674 20 0 DBADRM COC(=O)C1(S(=O)(=O)[N-][C@@H]2C(=O)OCC2(C)C)CCC1 ZINC000882247959 806973797 /nfs/dbraw/zinc/97/37/97/806973797.db2.gz AKYXGILOVWGNLU-MRVPVSSYSA-N -1 0 305.352 -0.047 20 0 DBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001324740850 807003509 /nfs/dbraw/zinc/00/35/09/807003509.db2.gz GZIQWXCGVIFLIR-WDEREUQCSA-N -1 0 313.354 -0.090 20 0 DBADRM Cn1cnc2c1nccc2C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001324741238 807003747 /nfs/dbraw/zinc/00/37/47/807003747.db2.gz FKURTVNNHOAUNC-VIFPVBQESA-N -1 0 314.309 -0.305 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000882858658 807003986 /nfs/dbraw/zinc/00/39/86/807003986.db2.gz LUIHOTZFRMOENS-SECBINFHSA-N -1 0 309.413 -0.441 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1)C(N)=O ZINC000035238373 803759493 /nfs/dbraw/zinc/75/94/93/803759493.db2.gz RMERLUMLEFREFH-SSDOTTSWSA-N -1 0 302.308 -0.698 20 0 DBADRM C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037838258 803760481 /nfs/dbraw/zinc/76/04/81/803760481.db2.gz SFGGXVHDBWIYSF-HTQZYQBOSA-N -1 0 315.351 -0.013 20 0 DBADRM C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCC(=O)[O-] ZINC000037838813 803760723 /nfs/dbraw/zinc/76/07/23/803760723.db2.gz KMVSOQYIBQNCQL-SNVBAGLBSA-N -1 0 323.392 -0.697 20 0 DBADRM O=C(CN1CCCC1=O)N[N-]C(=O)c1n[nH]c2c1CCCC2 ZINC000042061143 803764445 /nfs/dbraw/zinc/76/44/45/803764445.db2.gz MMDHOXAMQKXHOF-UHFFFAOYSA-N -1 0 305.338 -0.328 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000048445687 803773989 /nfs/dbraw/zinc/77/39/89/803773989.db2.gz APQLTDKSVOTVCV-QMMMGPOBSA-N -1 0 316.335 -0.437 20 0 DBADRM CCN1CCO[C@H](C(=O)N[N-]C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000072844680 803786582 /nfs/dbraw/zinc/78/65/82/803786582.db2.gz FTYRKUDSXVLENG-LBPRGKRZSA-N -1 0 321.381 -0.230 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2CCCNC(=O)C2)cc1 ZINC000087885300 803799843 /nfs/dbraw/zinc/79/98/43/803799843.db2.gz YXJJQRBOKQJVEQ-UHFFFAOYSA-N -1 0 312.347 -0.176 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000090276520 803800545 /nfs/dbraw/zinc/80/05/45/803800545.db2.gz GYFZBRSCBJPEFD-GFCCVEGCSA-N -1 0 301.320 -0.345 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000090275057 803800883 /nfs/dbraw/zinc/80/08/83/803800883.db2.gz KKHIOXZLOPFXSZ-YMTOWFKASA-N -1 0 300.355 -0.025 20 0 DBADRM Cn1cc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC000091539400 803802013 /nfs/dbraw/zinc/80/20/13/803802013.db2.gz UADWPPJBRNAMNU-UHFFFAOYSA-N -1 0 305.342 -0.774 20 0 DBADRM CN(C)c1cc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)ccn1 ZINC000122898532 803810650 /nfs/dbraw/zinc/81/06/50/803810650.db2.gz CGUDOXXCHVWXRX-UHFFFAOYSA-N -1 0 309.351 0.000 20 0 DBADRM O=C(NNC(=O)c1cc(Br)c[nH]1)c1nc(=O)[nH][n-]1 ZINC000126544854 803811579 /nfs/dbraw/zinc/81/15/79/803811579.db2.gz RGOAKBICPXAUDL-UHFFFAOYSA-N -1 0 315.087 -0.737 20 0 DBADRM CC[S@@](=O)CCNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000132137301 803815048 /nfs/dbraw/zinc/81/50/48/803815048.db2.gz OLOXPYITOQIYJK-YYSFKGJASA-N -1 0 312.413 -0.614 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](C)CC(N)=O)cc1C(=O)[O-] ZINC000136087150 803817443 /nfs/dbraw/zinc/81/74/43/803817443.db2.gz OTMSXVUUQHLDFX-SSDOTTSWSA-N -1 0 316.335 -0.064 20 0 DBADRM CCC(CC)(CNS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000137651121 803818199 /nfs/dbraw/zinc/81/81/99/803818199.db2.gz STGMJMUMKLGQNQ-UHFFFAOYSA-N -1 0 315.413 -0.159 20 0 DBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000148831645 803820433 /nfs/dbraw/zinc/82/04/33/803820433.db2.gz ZJFLIUIAOIGGHX-UHFFFAOYSA-N -1 0 319.383 -0.105 20 0 DBADRM CC/C(C)=C/C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001278776916 803822063 /nfs/dbraw/zinc/82/20/63/803822063.db2.gz QAAORRHRZMUSRD-XYYIANASSA-N -1 0 309.370 -0.080 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CCO[C@H](CO)C1 ZINC000167089704 803823007 /nfs/dbraw/zinc/82/30/07/803823007.db2.gz BVMJBLPKCYUUFG-VIFPVBQESA-N -1 0 301.320 -0.233 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)Cn1ccc(C)cc1=O ZINC000192724453 803827626 /nfs/dbraw/zinc/82/76/26/803827626.db2.gz WEOOCUNXRAYZET-UHFFFAOYSA-N -1 0 301.368 -0.140 20 0 DBADRM Cc1ccc(NC(=O)COC(=O)c2[nH]c(=O)[nH]c(=O)c2N)cc1 ZINC000197813134 803829443 /nfs/dbraw/zinc/82/94/43/803829443.db2.gz NPXMKDAJZWWNBV-UHFFFAOYSA-N -1 0 318.289 -0.251 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCC[C@H](C)C(=O)[O-] ZINC000250708519 803831562 /nfs/dbraw/zinc/83/15/62/803831562.db2.gz XJESRECHIYULOX-VHSXEESVSA-N -1 0 322.383 -0.041 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000316932751 803839380 /nfs/dbraw/zinc/83/93/80/803839380.db2.gz WVKRSDGBMWELAN-SCZZXKLOSA-N -1 0 301.320 -0.642 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000386434141 803855486 /nfs/dbraw/zinc/85/54/86/803855486.db2.gz JGEXILIFWCCEPT-CYBMUJFWSA-N -1 0 313.331 -0.168 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000386481078 803855701 /nfs/dbraw/zinc/85/57/01/803855701.db2.gz QKWGPPLVIGOXPO-NSHDSACASA-N -1 0 316.291 -0.195 20 0 DBADRM CC(=O)NC1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1 ZINC000387817876 803857244 /nfs/dbraw/zinc/85/72/44/803857244.db2.gz UISGWFRMKDFPLK-UHFFFAOYSA-N -1 0 314.319 -0.401 20 0 DBADRM O=C1[N-]OC[C@H]1NS(=O)(=O)c1cncc(Br)c1 ZINC000393831774 803860258 /nfs/dbraw/zinc/86/02/58/803860258.db2.gz CWSCQOYSURIBDG-SSDOTTSWSA-N -1 0 322.140 -0.448 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000396746206 803862400 /nfs/dbraw/zinc/86/24/00/803862400.db2.gz NJYTYDCWKLTDOI-LBPRGKRZSA-N -1 0 318.329 -0.007 20 0 DBADRM CCOC(C)(C)CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000396761049 803862465 /nfs/dbraw/zinc/86/24/65/803862465.db2.gz HULIMRBEMPVUNQ-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc32)CC1 ZINC000396689537 803862580 /nfs/dbraw/zinc/86/25/80/803862580.db2.gz BJRZAESCXVXNPX-LLVKDONJSA-N -1 0 304.302 -0.082 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCOC[C@H](O)C2)c1 ZINC000399963304 803864092 /nfs/dbraw/zinc/86/40/92/803864092.db2.gz TUTPRIYXZAONAE-SECBINFHSA-N -1 0 319.310 -0.094 20 0 DBADRM C[C@H]1COCCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000399105095 803864284 /nfs/dbraw/zinc/86/42/84/803864284.db2.gz GPHLKQUXKYQKAR-GHMZBOCLSA-N -1 0 306.384 -0.004 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CCOC[C@@H](O)C1 ZINC000399914583 803864486 /nfs/dbraw/zinc/86/44/86/803864486.db2.gz GQLVZUKNQREELW-VIFPVBQESA-N -1 0 301.320 -0.233 20 0 DBADRM CC[C@H](C)C[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000400409891 803865357 /nfs/dbraw/zinc/86/53/57/803865357.db2.gz VVRXSWVHFLSAGP-IUCAKERBSA-N -1 0 315.413 -0.160 20 0 DBADRM O=C(NC1CCOCC1)c1ccc(=NC[C@H]2COCCO2)[n-]n1 ZINC000432145042 803869065 /nfs/dbraw/zinc/86/90/65/803869065.db2.gz NVQDRAOXUNYFCC-LBPRGKRZSA-N -1 0 322.365 -0.365 20 0 DBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1cccc2c1OCO2 ZINC000558692950 803874147 /nfs/dbraw/zinc/87/41/47/803874147.db2.gz AHFBOWSSHTZAQC-ZETCQYMHSA-N -1 0 303.292 -0.471 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000575057358 803876139 /nfs/dbraw/zinc/87/61/39/803876139.db2.gz RRIXNIPMSXBCOC-SECBINFHSA-N -1 0 307.353 -0.196 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000647782261 803895732 /nfs/dbraw/zinc/89/57/32/803895732.db2.gz CBIPTVXESNWQDJ-UHFFFAOYSA-N -1 0 318.355 -0.094 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)N=c1nc2nc(C)cc(C)n2[n-]1 ZINC000650367761 803897823 /nfs/dbraw/zinc/89/78/23/803897823.db2.gz OACMPOCVKAXZRU-GHMZBOCLSA-N -1 0 320.353 -0.223 20 0 DBADRM O=C([O-])[C@H](Cc1ncccn1)NS(=O)(=O)C[C@H]1CCCO1 ZINC000650428981 803898585 /nfs/dbraw/zinc/89/85/85/803898585.db2.gz YKGAYKOLQGHZCE-ZJUUUORDSA-N -1 0 315.351 -0.429 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@H](Cc2ncccn2)C(=O)[O-])c[nH]1 ZINC000650428987 803898626 /nfs/dbraw/zinc/89/86/26/803898626.db2.gz YOOOZLDYVUQSDI-QMMMGPOBSA-N -1 0 311.323 -0.518 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N[C@@H](Cc2ncccn2)C(=O)[O-])C1 ZINC000650428558 803898721 /nfs/dbraw/zinc/89/87/21/803898721.db2.gz OBHLGGGXEWSOHI-UWVGGRQHSA-N -1 0 314.367 -0.352 20 0 DBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)NC1CC(C(=O)[O-])C1 ZINC000693394644 803908635 /nfs/dbraw/zinc/90/86/35/803908635.db2.gz JZMRFFVADLTASN-HACHORDNSA-N -1 0 307.393 -0.114 20 0 DBADRM CC(C)(NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000690894280 803909064 /nfs/dbraw/zinc/90/90/64/803909064.db2.gz VOTPHXLIJBYFJN-MRVPVSSYSA-N -1 0 307.372 -0.570 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNCc2ncccn2)c1[O-] ZINC001279686735 803911099 /nfs/dbraw/zinc/91/10/99/803911099.db2.gz IZYNRQILSVUVTP-UHFFFAOYSA-N -1 0 320.353 -0.562 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000702559073 803914772 /nfs/dbraw/zinc/91/47/72/803914772.db2.gz LIUONJHIIYLCCA-NXEZZACHSA-N -1 0 302.352 -0.300 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(c2ccc(C(=O)[O-])nn2)C1 ZINC000702996215 803916082 /nfs/dbraw/zinc/91/60/82/803916082.db2.gz SSZNNLBWLQSJGS-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000707290312 803916832 /nfs/dbraw/zinc/91/68/32/803916832.db2.gz WVOADHRMZSSLON-SSDOTTSWSA-N -1 0 301.324 -0.388 20 0 DBADRM O=S(=O)(CCNS(=O)(=O)c1ncc[n-]1)N1CCCC1 ZINC000721872302 803929397 /nfs/dbraw/zinc/92/93/97/803929397.db2.gz ZBTGCEPUDSYOOM-UHFFFAOYSA-N -1 0 308.385 -0.886 20 0 DBADRM Cc1nn2c([n-]nc2SCC(=O)N2CCO[C@@H](C)C2)nc1=O ZINC000730085692 803931230 /nfs/dbraw/zinc/93/12/30/803931230.db2.gz MIRUEVRSTAETHU-ZETCQYMHSA-N -1 0 324.366 -0.540 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCc1nc(C2CC2)no1 ZINC000738545222 803938380 /nfs/dbraw/zinc/93/83/80/803938380.db2.gz NBARNBPBEXPTCI-QMMMGPOBSA-N -1 0 316.339 -0.170 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CN1CC[C@H](CNC(=O)[O-])C1 ZINC000738700284 803938676 /nfs/dbraw/zinc/93/86/76/803938676.db2.gz JPSWVICVHSQWJQ-SNVBAGLBSA-N -1 0 314.386 -0.393 20 0 DBADRM Cc1cccc(N(CC(=O)[O-])C(=O)c2cn(C)c(=O)[nH]c2=O)n1 ZINC000738726386 803938737 /nfs/dbraw/zinc/93/87/37/803938737.db2.gz YRTGKCVOZCXPKV-UHFFFAOYSA-N -1 0 318.289 -0.079 20 0 DBADRM C[C@H]1CN(C(=S)NCC(=O)N(C)C)CC[C@H]1NC(=O)[O-] ZINC000739171043 803939967 /nfs/dbraw/zinc/93/99/67/803939967.db2.gz GIJVRKSWAIKSBL-DTWKUNHWSA-N -1 0 302.400 -0.073 20 0 DBADRM CN1CC(=O)N(CC(=O)NC2CCC(NC(=O)[O-])CC2)C1=O ZINC000739724402 803941288 /nfs/dbraw/zinc/94/12/88/803941288.db2.gz RHXFBZOUUWDHPI-UHFFFAOYSA-N -1 0 312.326 -0.425 20 0 DBADRM CC[C@H](O)CN1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739262672 803941542 /nfs/dbraw/zinc/94/15/42/803941542.db2.gz BBSKBOBERKVRLD-RYUDHWBXSA-N -1 0 315.370 -0.720 20 0 DBADRM CCN(CC(=O)N1CCN(CC[S@](C)=O)CC1)C(=O)[O-] ZINC000739395120 803941795 /nfs/dbraw/zinc/94/17/95/803941795.db2.gz YHADQSLBWQWPRS-FQEVSTJZSA-N -1 0 305.400 -0.491 20 0 DBADRM COCCN1C[C@H](C(=O)N(C)[C@@H](C)CNC(=O)[O-])CC1=O ZINC000739829934 803942236 /nfs/dbraw/zinc/94/22/36/803942236.db2.gz SMTKYKOAAREGBY-VHSXEESVSA-N -1 0 301.343 -0.404 20 0 DBADRM COCCN(CC(=O)N(C)[C@@H]1CCCCNC1=O)C(=O)[O-] ZINC000739811438 803942426 /nfs/dbraw/zinc/94/24/26/803942426.db2.gz CTCOEBHROUWFLV-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM COCCN(CC(=O)NCCN1CCOC(C)(C)C1)C(=O)[O-] ZINC000739818829 803942841 /nfs/dbraw/zinc/94/28/41/803942841.db2.gz QXOKPLIHVAZLRM-UHFFFAOYSA-N -1 0 317.386 -0.160 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)CC(C)(C)NC(=O)[O-])CC1 ZINC000740007427 803943163 /nfs/dbraw/zinc/94/31/63/803943163.db2.gz WBVXAWVVZHOUCL-NRFANRHFSA-N -1 0 319.427 -0.055 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000740006697 803943199 /nfs/dbraw/zinc/94/31/99/803943199.db2.gz QUZUTJMYNYTJOF-WSVYEEACSA-N -1 0 317.411 -0.491 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000740029238 803943328 /nfs/dbraw/zinc/94/33/28/803943328.db2.gz ANWACQBLMJQQBK-MRVPVSSYSA-N -1 0 321.337 -0.012 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000740006695 803943911 /nfs/dbraw/zinc/94/39/11/803943911.db2.gz QUZUTJMYNYTJOF-WIUDPPPLSA-N -1 0 317.411 -0.491 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCc2cccc(CO)c2)C(=O)C1 ZINC000740367542 803946341 /nfs/dbraw/zinc/94/63/41/803946341.db2.gz CRRDUARAPVRVCM-UHFFFAOYSA-N -1 0 321.333 -0.383 20 0 DBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)N1CCCC1)C(C)C ZINC000741436450 803959127 /nfs/dbraw/zinc/95/91/27/803959127.db2.gz WUYDNZOEOSYJEJ-NSHDSACASA-N -1 0 321.399 -0.770 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000743494936 803981327 /nfs/dbraw/zinc/98/13/27/803981327.db2.gz PNBHIJQPHKTADW-SECBINFHSA-N -1 0 312.413 -0.345 20 0 DBADRM CCc1nsc(N2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)n1 ZINC000743788634 803985066 /nfs/dbraw/zinc/98/50/66/803985066.db2.gz SLIMJSANZCJMFQ-UHFFFAOYSA-N -1 0 308.367 -0.375 20 0 DBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000744019289 803985460 /nfs/dbraw/zinc/98/54/60/803985460.db2.gz VLRFRAKODKZDJV-UHFFFAOYSA-N -1 0 322.346 -0.102 20 0 DBADRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000744137257 803987365 /nfs/dbraw/zinc/98/73/65/803987365.db2.gz OPCQNHHDJJQZPI-JTQLQIEISA-N -1 0 306.384 -0.082 20 0 DBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1 ZINC000744137440 803987597 /nfs/dbraw/zinc/98/75/97/803987597.db2.gz QAVLOQKKBDTNNN-LLVKDONJSA-N -1 0 312.347 -0.105 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)Cn1c(C)c(C)sc1=O ZINC000744240312 803988143 /nfs/dbraw/zinc/98/81/43/803988143.db2.gz FMZZTJGBGZEOQK-UHFFFAOYSA-N -1 0 307.397 -0.161 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(=O)n(CCOC)c1 ZINC000744239072 803988156 /nfs/dbraw/zinc/98/81/56/803988156.db2.gz ODVFHVOZDKURLG-UHFFFAOYSA-N -1 0 317.367 -0.579 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N1CCCC1=O ZINC000744240983 803988168 /nfs/dbraw/zinc/98/81/68/803988168.db2.gz YJPNJUQZRSRNSA-LLVKDONJSA-N -1 0 305.400 -0.054 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000744242044 803988354 /nfs/dbraw/zinc/98/83/54/803988354.db2.gz SHABDTUXZIGJIG-KCJUWKMLSA-N -1 0 321.424 -0.247 20 0 DBADRM O=C([N-]S(=O)(=O)CCOc1ccccc1)[C@@H]1COCCO1 ZINC000744298302 803988677 /nfs/dbraw/zinc/98/86/77/803988677.db2.gz UZRDZUWYRGMDSH-LBPRGKRZSA-N -1 0 315.347 -0.073 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000744242045 803988877 /nfs/dbraw/zinc/98/88/77/803988877.db2.gz SHABDTUXZIGJIG-KWQFWETISA-N -1 0 321.424 -0.247 20 0 DBADRM CCNC(=O)CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001280729945 804009764 /nfs/dbraw/zinc/00/97/64/804009764.db2.gz UQQYXZGOQOGJMO-SNVBAGLBSA-N -1 0 324.385 -0.493 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)[N-]S(=O)(=O)CCCF ZINC000747131691 804024479 /nfs/dbraw/zinc/02/44/79/804024479.db2.gz WORLKBXCWPJPPX-UHFFFAOYSA-N -1 0 310.347 -0.569 20 0 DBADRM CN1C[C@H](C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)CC1=O ZINC000747474548 804028829 /nfs/dbraw/zinc/02/88/29/804028829.db2.gz WACCKELVAWKUCY-PWSUYJOCSA-N -1 0 300.322 -0.116 20 0 DBADRM CN1C[C@@H](C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)CC1=O ZINC000747474545 804029039 /nfs/dbraw/zinc/02/90/39/804029039.db2.gz WACCKELVAWKUCY-CMPLNLGQSA-N -1 0 300.322 -0.116 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747750970 804031261 /nfs/dbraw/zinc/03/12/61/804031261.db2.gz CNIBWBARVAQTLJ-UHFFFAOYSA-N -1 0 321.399 -0.768 20 0 DBADRM C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747756902 804031779 /nfs/dbraw/zinc/03/17/79/804031779.db2.gz FLUBDJOQWCVJOI-MNOVXSKESA-N -1 0 322.383 -0.736 20 0 DBADRM Cn1cc(CCC(=O)[N-]S(=O)(=O)N2CCOCC2)cn1 ZINC000747747202 804031810 /nfs/dbraw/zinc/03/18/10/804031810.db2.gz PEUFMPHVBMSJQG-UHFFFAOYSA-N -1 0 302.356 -0.954 20 0 DBADRM Cc1ccncc1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000747802415 804032195 /nfs/dbraw/zinc/03/21/95/804032195.db2.gz MJAVBJMJHNEXQH-UHFFFAOYSA-N -1 0 322.346 -0.054 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(N2CCOCC2)nc1 ZINC000748417410 804038597 /nfs/dbraw/zinc/03/85/97/804038597.db2.gz GGCMJBCBKDVZML-UHFFFAOYSA-N -1 0 304.310 -0.328 20 0 DBADRM COCCCOC1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000748419480 804038974 /nfs/dbraw/zinc/03/89/74/804038974.db2.gz PROSAQJDUZMNSK-UHFFFAOYSA-N -1 0 321.337 -0.665 20 0 DBADRM CC(C)CO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000750229650 804058992 /nfs/dbraw/zinc/05/89/92/804058992.db2.gz RHEBAUXAUFCLGQ-VIFPVBQESA-N -1 0 304.372 -0.209 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750725923 804064328 /nfs/dbraw/zinc/06/43/28/804064328.db2.gz NRDPVQPENDXPKT-SECBINFHSA-N -1 0 321.399 -0.770 20 0 DBADRM C[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)c1cnn(C)c1 ZINC000750724068 804064688 /nfs/dbraw/zinc/06/46/88/804064688.db2.gz GCQSYJSYBCOKIG-VIFPVBQESA-N -1 0 302.356 -0.783 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)s1 ZINC000750724058 804064753 /nfs/dbraw/zinc/06/47/53/804064753.db2.gz GCIRTDJLOXGVBS-UHFFFAOYSA-N -1 0 319.364 -0.846 20 0 DBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1C(F)F ZINC000750727315 804064913 /nfs/dbraw/zinc/06/49/13/804064913.db2.gz XMQUFGIDPUVDIN-UHFFFAOYSA-N -1 0 324.309 -0.336 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cccc2c[nH]nc21 ZINC000750728705 804065041 /nfs/dbraw/zinc/06/50/41/804065041.db2.gz LHCKSPWZYPMUAK-UHFFFAOYSA-N -1 0 310.335 -0.130 20 0 DBADRM O=C(Cn1ncc2ccccc21)[N-]S(=O)(=O)N1CCOCC1 ZINC000750730062 804065122 /nfs/dbraw/zinc/06/51/22/804065122.db2.gz FGORWMPUUSTNSS-UHFFFAOYSA-N -1 0 324.362 -0.271 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000751573095 804077998 /nfs/dbraw/zinc/07/79/98/804077998.db2.gz OXANYQBRDPVQJW-QMMMGPOBSA-N -1 0 310.310 -0.554 20 0 DBADRM CCOCCC(=O)[N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC ZINC000751839178 804081114 /nfs/dbraw/zinc/08/11/14/804081114.db2.gz JOTOTJBPKPSKRV-SNVBAGLBSA-N -1 0 322.383 -0.199 20 0 DBADRM Cc1cc(S(N)(=O)=O)cc(C(=O)NCc2nnn[n-]2)c1C ZINC000751958356 804082694 /nfs/dbraw/zinc/08/26/94/804082694.db2.gz OWZUDNJXNOTFNY-UHFFFAOYSA-N -1 0 310.339 -0.606 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000752497733 804090320 /nfs/dbraw/zinc/09/03/20/804090320.db2.gz NRKAYUVDCHYAKV-UHFFFAOYSA-N -1 0 313.335 -0.015 20 0 DBADRM CCOC(=O)[C@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000752751830 804093765 /nfs/dbraw/zinc/09/37/65/804093765.db2.gz FNGKHGDSRJABQK-MRVPVSSYSA-N -1 0 307.310 -0.613 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc(=O)[nH][n-]1 ZINC000753499052 804104522 /nfs/dbraw/zinc/10/45/22/804104522.db2.gz NXEUWJXBKUUYNL-LLVKDONJSA-N -1 0 315.333 -0.435 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cncc(Br)c1 ZINC000753945083 804112299 /nfs/dbraw/zinc/11/22/99/804112299.db2.gz JORQHFSWSYTUPC-UHFFFAOYSA-N -1 0 322.140 -0.611 20 0 DBADRM COc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1OC ZINC000753945372 804114299 /nfs/dbraw/zinc/11/42/99/804114299.db2.gz OZXFVTAJDKXTIZ-UHFFFAOYSA-N -1 0 302.308 -0.751 20 0 DBADRM CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2cc(=O)[nH][n-]2)cn1 ZINC000754445386 804121877 /nfs/dbraw/zinc/12/18/77/804121877.db2.gz DBFMHXPXCLDQNT-KPWVOAKYSA-N -1 0 323.378 -0.589 20 0 DBADRM CCn1cc([C@H]2C[S@](=O)CCN2C(=O)c2cc(=O)[nH][n-]2)cn1 ZINC000754445391 804121886 /nfs/dbraw/zinc/12/18/86/804121886.db2.gz DBFMHXPXCLDQNT-RKFFSXRUSA-N -1 0 323.378 -0.589 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)CC1CCC1 ZINC000755119374 804132435 /nfs/dbraw/zinc/13/24/35/804132435.db2.gz ZNEADKGCPBDYSZ-UHFFFAOYSA-N -1 0 302.352 -0.228 20 0 DBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)CC2CCC2)CC1=O ZINC000755127211 804132667 /nfs/dbraw/zinc/13/26/67/804132667.db2.gz QIZQXVKHIJNUQG-NSHDSACASA-N -1 0 318.395 -0.273 20 0 DBADRM Cc1cc(C)c(C(=O)[N-]S(=O)(=O)N2CCOCC2)c(=O)[nH]1 ZINC000755706666 804140615 /nfs/dbraw/zinc/14/06/15/804140615.db2.gz ISMVZVNRPNRGAU-UHFFFAOYSA-N -1 0 315.351 -0.289 20 0 DBADRM CNC(=O)[C@H](CC(C)C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000756406604 804150669 /nfs/dbraw/zinc/15/06/69/804150669.db2.gz VSQWHSXCLOAWSK-JTQLQIEISA-N -1 0 320.353 -0.652 20 0 DBADRM NC(=O)CONC(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000756813595 804155832 /nfs/dbraw/zinc/15/58/32/804155832.db2.gz BUGKBLCFMZRJOZ-VIFPVBQESA-N -1 0 320.305 -0.570 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCO[C@@]2(CCOC2)C1 ZINC001465115831 804157593 /nfs/dbraw/zinc/15/75/93/804157593.db2.gz VLCCGNBGUXPBEP-SCVCMEIPSA-N -1 0 305.352 -0.329 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CN1CCSC1=O ZINC000757338246 804163294 /nfs/dbraw/zinc/16/32/94/804163294.db2.gz CFMIZIPFCMGNKQ-UHFFFAOYSA-N -1 0 311.385 -0.906 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC000757334061 804163300 /nfs/dbraw/zinc/16/33/00/804163300.db2.gz IUFVXKFREYAFBK-GFCCVEGCSA-N -1 0 321.399 -0.816 20 0 DBADRM COc1ccccc1N1CC[C@@H](NC(=O)c2cc(=O)[nH][n-]2)C1=O ZINC000757440052 804163405 /nfs/dbraw/zinc/16/34/05/804163405.db2.gz YDMYIKYOTXWQPL-SECBINFHSA-N -1 0 316.317 -0.207 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)/C=C\C1CCOCC1 ZINC000757336796 804163536 /nfs/dbraw/zinc/16/35/36/804163536.db2.gz VXFDGUOYINOAOW-ARJAWSKDSA-N -1 0 306.384 -0.092 20 0 DBADRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)c1 ZINC000758040782 804172928 /nfs/dbraw/zinc/17/29/28/804172928.db2.gz IVKRACZPACIUJY-UHFFFAOYSA-N -1 0 309.340 -0.016 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000758340248 804180544 /nfs/dbraw/zinc/18/05/44/804180544.db2.gz CBJYDSOOONHONY-LURJTMIESA-N -1 0 318.317 -0.007 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000758483749 804185216 /nfs/dbraw/zinc/18/52/16/804185216.db2.gz FNWPHNCFFJOGLR-SNVBAGLBSA-N -1 0 321.341 -0.471 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)COc1c(C)nn(C)c1C ZINC000758524397 804189241 /nfs/dbraw/zinc/18/92/41/804189241.db2.gz FLNMAPBODNMMLG-QMMMGPOBSA-N -1 0 319.383 -0.103 20 0 DBADRM CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758580347 804190335 /nfs/dbraw/zinc/19/03/35/804190335.db2.gz WKMSJEBFWCWFHY-UHFFFAOYSA-N -1 0 314.367 -0.070 20 0 DBADRM Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)c3cnccn3)cn12 ZINC000758579848 804190487 /nfs/dbraw/zinc/19/04/87/804190487.db2.gz WLVCVERDDBPUBQ-UHFFFAOYSA-N -1 0 318.318 -0.054 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnccn1)c1ccc2nncn2c1 ZINC000758577431 804190880 /nfs/dbraw/zinc/19/08/80/804190880.db2.gz BWWYDMJQGJGOAO-UHFFFAOYSA-N -1 0 304.291 -0.362 20 0 DBADRM CCCOc1cccnc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000759645674 804206621 /nfs/dbraw/zinc/20/66/21/804206621.db2.gz UBHJAUZUVHMDJB-UHFFFAOYSA-N -1 0 301.324 -0.585 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)cn1 ZINC000759801874 804209856 /nfs/dbraw/zinc/20/98/56/804209856.db2.gz BRFTUVQUXRXSAI-VIFPVBQESA-N -1 0 313.335 -0.627 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)cn1 ZINC000759800652 804210018 /nfs/dbraw/zinc/21/00/18/804210018.db2.gz HVAUDFMHFRNUEL-UHFFFAOYSA-N -1 0 323.330 -0.243 20 0 DBADRM COC[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C(N)=O ZINC000760079866 804219421 /nfs/dbraw/zinc/21/94/21/804219421.db2.gz WJXFHWWTNYDQRK-JTQLQIEISA-N -1 0 304.306 -0.192 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2coc(C(N)=O)c2)cn1 ZINC000760227399 804223377 /nfs/dbraw/zinc/22/33/77/804223377.db2.gz NZBXJCPHQDGSDB-UHFFFAOYSA-N -1 0 312.307 -0.286 20 0 DBADRM Cn1ncc(C(=O)[N-]N2CC(=O)N(C)C2=O)c1Br ZINC000760425035 804223751 /nfs/dbraw/zinc/22/37/51/804223751.db2.gz FGAOEUAZIZDSBZ-UHFFFAOYSA-N -1 0 316.115 -0.279 20 0 DBADRM C[C@H](CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)S(N)(=O)=O ZINC000760487930 804225761 /nfs/dbraw/zinc/22/57/61/804225761.db2.gz XUZIFKXOTVJPOF-RXMQYKEDSA-N -1 0 319.305 -0.763 20 0 DBADRM CCOC(=O)CC[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000760807717 804228973 /nfs/dbraw/zinc/22/89/73/804228973.db2.gz KFNLQWPDTUCGFU-SECBINFHSA-N -1 0 321.337 -0.081 20 0 DBADRM COC(=O)[C@@H](CNC(=O)c1cc(=O)[nH][n-]1)Oc1ccc(F)cc1 ZINC000760843541 804229409 /nfs/dbraw/zinc/22/94/09/804229409.db2.gz LINMZRTWGWUBRR-LLVKDONJSA-N -1 0 323.280 -0.262 20 0 DBADRM CN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761263126 804237102 /nfs/dbraw/zinc/23/71/02/804237102.db2.gz DAFBNVKYGUFLNG-UHFFFAOYSA-N -1 0 308.262 -0.231 20 0 DBADRM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)N[C@@H](C)C(N)=O)c1 ZINC000761243456 804237268 /nfs/dbraw/zinc/23/72/68/804237268.db2.gz FIPLQQWVLUBVOA-LURJTMIESA-N -1 0 304.299 -0.016 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1CC(=O)[O-] ZINC000761241915 804237495 /nfs/dbraw/zinc/23/74/95/804237495.db2.gz AEQRMPHTDITBDT-ZETCQYMHSA-N -1 0 316.335 -0.526 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCSC2)cc1C(N)=O ZINC000762064675 804243636 /nfs/dbraw/zinc/24/36/36/804243636.db2.gz WHCCSUPHIDGQDU-SSDOTTSWSA-N -1 0 317.392 -0.318 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000762148579 804245932 /nfs/dbraw/zinc/24/59/32/804245932.db2.gz JJKUSRFCISSJNC-ZJUUUORDSA-N -1 0 316.379 -0.520 20 0 DBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762152149 804246199 /nfs/dbraw/zinc/24/61/99/804246199.db2.gz UCENDNOBDUCNBY-SNVBAGLBSA-N -1 0 322.383 -0.005 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)CCCC(=O)OC ZINC000762638736 804252499 /nfs/dbraw/zinc/25/24/99/804252499.db2.gz WMACUSKHCHJVAA-UHFFFAOYSA-N -1 0 323.367 -0.025 20 0 DBADRM CC(=O)c1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n(C)c1 ZINC000763447323 804267221 /nfs/dbraw/zinc/26/72/21/804267221.db2.gz RFKVQSIQOCYMAT-UHFFFAOYSA-N -1 0 315.351 -0.577 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CC[C@H]1CCCCO1 ZINC000763450022 804267425 /nfs/dbraw/zinc/26/74/25/804267425.db2.gz HKDVWLGUTPDDGU-SNVBAGLBSA-N -1 0 306.384 -0.082 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc2c1OCO2 ZINC000763444786 804267693 /nfs/dbraw/zinc/26/76/93/804267693.db2.gz KCQPENHIHMMRLK-UHFFFAOYSA-N -1 0 314.319 -0.389 20 0 DBADRM CCCNC(=O)CCCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763444202 804267806 /nfs/dbraw/zinc/26/78/06/804267806.db2.gz GXYYHIURFOUJEP-UHFFFAOYSA-N -1 0 321.399 -0.735 20 0 DBADRM CCc1nnsc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763454138 804268383 /nfs/dbraw/zinc/26/83/83/804268383.db2.gz AJIAYVYTUYQYQA-UHFFFAOYSA-N -1 0 306.369 -0.704 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000763976805 804276598 /nfs/dbraw/zinc/27/65/98/804276598.db2.gz HKGGPSJLHAAUMX-RKDXNWHRSA-N -1 0 301.368 -0.005 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000763970293 804276984 /nfs/dbraw/zinc/27/69/84/804276984.db2.gz GVTHPJWYJZNCLE-VIFPVBQESA-N -1 0 301.368 -0.003 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2 ZINC000763970820 804277128 /nfs/dbraw/zinc/27/71/28/804277128.db2.gz IBSRNHCNEQCWRA-UHFFFAOYSA-N -1 0 302.356 -0.020 20 0 DBADRM COc1c(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)c(C)nn1C ZINC000764157671 804279218 /nfs/dbraw/zinc/27/92/18/804279218.db2.gz WPEQDWUMQREECN-ZETCQYMHSA-N -1 0 305.356 -0.168 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000764174398 804279554 /nfs/dbraw/zinc/27/95/54/804279554.db2.gz URONZYZDXQGFGG-BDAKNGLRSA-N -1 0 318.351 -0.121 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)cc1 ZINC000764219839 804281951 /nfs/dbraw/zinc/28/19/51/804281951.db2.gz XQIKIYHJEKRHQS-MRVPVSSYSA-N -1 0 300.336 -0.120 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)N1CCc2sccc2C1 ZINC000764759380 804288265 /nfs/dbraw/zinc/28/82/65/804288265.db2.gz DCSTYIIQNOLXIK-UHFFFAOYSA-N -1 0 317.392 -0.397 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000764787338 804288902 /nfs/dbraw/zinc/28/89/02/804288902.db2.gz BQFCSDPRGZRPTC-UHFFFAOYSA-N -1 0 312.347 -0.047 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)c1cc(=O)[nH][n-]1)N1CCCC1 ZINC000765204677 804295820 /nfs/dbraw/zinc/29/58/20/804295820.db2.gz ZEMLRQNSMRDIAY-LLVKDONJSA-N -1 0 322.365 -0.508 20 0 DBADRM CC(C)(O)[C@@H]1CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000765195771 804295830 /nfs/dbraw/zinc/29/58/30/804295830.db2.gz SCEGVFOHUYUSRM-JTQLQIEISA-N -1 0 305.338 -0.167 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1ccc2nncn2c1 ZINC000765650444 804304693 /nfs/dbraw/zinc/30/46/93/804304693.db2.gz PNWZZMNJXIRMIQ-UHFFFAOYSA-N -1 0 306.307 -0.419 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CCOC[C@@H]1CCCO1 ZINC000765650981 804304809 /nfs/dbraw/zinc/30/48/09/804304809.db2.gz OAZHLNMABZWODI-JTQLQIEISA-N -1 0 317.367 -0.189 20 0 DBADRM CCC(CC)CS(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC000765602623 804305090 /nfs/dbraw/zinc/30/50/90/804305090.db2.gz CGYRHBYSUZLSAC-UHFFFAOYSA-N -1 0 304.372 -0.536 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)cc1 ZINC000765654220 804306134 /nfs/dbraw/zinc/30/61/34/804306134.db2.gz HEASSVOGBHLZSW-UHFFFAOYSA-N -1 0 308.319 -0.362 20 0 DBADRM O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1cc(=O)[nH][n-]1 ZINC000765868105 804308025 /nfs/dbraw/zinc/30/80/25/804308025.db2.gz ZEXQOJFLGCJMLH-UHFFFAOYSA-N -1 0 321.312 -0.451 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cccn2c(=O)[nH]nc12 ZINC000766276334 804315197 /nfs/dbraw/zinc/31/51/97/804315197.db2.gz ITNLLEQIECYMFV-UHFFFAOYSA-N -1 0 313.339 -0.249 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC(=O)[N-]OCC(F)(F)F)c1 ZINC000766765005 804318501 /nfs/dbraw/zinc/31/85/01/804318501.db2.gz PCHHKVJQUAATPY-UHFFFAOYSA-N -1 0 316.261 -0.692 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)C2(C(=O)OC)CC2)nc1C ZINC000766891372 804320466 /nfs/dbraw/zinc/32/04/66/804320466.db2.gz UDVQJJVZEZBTOX-UHFFFAOYSA-N -1 0 315.351 -0.030 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000766897191 804320552 /nfs/dbraw/zinc/32/05/52/804320552.db2.gz HNQZKYBRGNOEJG-LBPRGKRZSA-N -1 0 313.379 -0.252 20 0 DBADRM CC(C)(C)c1ncc(C(=O)[N-]S(=O)(=O)CC(N)=O)s1 ZINC000766908928 804321151 /nfs/dbraw/zinc/32/11/51/804321151.db2.gz FDHIPVIJBDUOPX-UHFFFAOYSA-N -1 0 305.381 -0.015 20 0 DBADRM Cc1cc(C)cc(OCC(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766917498 804321409 /nfs/dbraw/zinc/32/14/09/804321409.db2.gz SWJXVKFYXLIINX-UHFFFAOYSA-N -1 0 300.336 -0.386 20 0 DBADRM CCOc1ccc(CCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766920315 804321512 /nfs/dbraw/zinc/32/15/12/804321512.db2.gz AJVGOPLUIGWEKZ-UHFFFAOYSA-N -1 0 314.363 -0.051 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)COCCOc1ccccc1 ZINC000766916695 804321568 /nfs/dbraw/zinc/32/15/68/804321568.db2.gz NYZMGXATQGMBMG-UHFFFAOYSA-N -1 0 316.335 -0.987 20 0 DBADRM CCO[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1 ZINC000766920107 804321589 /nfs/dbraw/zinc/32/15/89/804321589.db2.gz DLALSBCYHCLQNA-LLVKDONJSA-N -1 0 300.336 -0.305 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(C(F)(F)F)cn1 ZINC000766918260 804322027 /nfs/dbraw/zinc/32/20/27/804322027.db2.gz WNTRHPPHGLMVHU-UHFFFAOYSA-N -1 0 311.241 -0.355 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cnc(-c2ccco2)s1 ZINC000766916778 804322072 /nfs/dbraw/zinc/32/20/72/804322072.db2.gz PSQSTCDNHQELOP-UHFFFAOYSA-N -1 0 315.332 -0.052 20 0 DBADRM COc1cccc2cc(C(=O)[N-]S(=O)(=O)CC(N)=O)oc21 ZINC000766918859 804322091 /nfs/dbraw/zinc/32/20/91/804322091.db2.gz ZNCBAYYOFZIWPQ-UHFFFAOYSA-N -1 0 312.303 -0.014 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ncoc1-c1ccccc1 ZINC000766923877 804322193 /nfs/dbraw/zinc/32/21/93/804322193.db2.gz JFNGAADNMDEWAZ-UHFFFAOYSA-N -1 0 309.303 -0.114 20 0 DBADRM CCN(C)[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1 ZINC000766923004 804322322 /nfs/dbraw/zinc/32/23/22/804322322.db2.gz PBAQLWSTASGCFL-GFCCVEGCSA-N -1 0 313.379 -0.389 20 0 DBADRM CC(C)[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)CCO1 ZINC000766924335 804322369 /nfs/dbraw/zinc/32/23/69/804322369.db2.gz FAOKTDTUZDWQDP-ZJUUUORDSA-N -1 0 306.384 -0.241 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(-c2cnco2)cc1 ZINC000766924561 804322420 /nfs/dbraw/zinc/32/24/20/804322420.db2.gz VOIJEADLYJYWJY-UHFFFAOYSA-N -1 0 309.303 -0.114 20 0 DBADRM COc1ccc(C[C@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766922369 804322530 /nfs/dbraw/zinc/32/25/30/804322530.db2.gz MRZJGBIGSVEMOD-VIFPVBQESA-N -1 0 314.363 -0.195 20 0 DBADRM COc1ccc(O[C@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766922652 804322854 /nfs/dbraw/zinc/32/28/54/804322854.db2.gz NKLYGBCGWIGSFG-MRVPVSSYSA-N -1 0 316.335 -0.606 20 0 DBADRM COc1cccc(OC)c1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766926338 804323189 /nfs/dbraw/zinc/32/31/89/804323189.db2.gz NNKYZHLCYJNCBT-UHFFFAOYSA-N -1 0 316.335 -0.822 20 0 DBADRM Cc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)CC(N)=O)s1 ZINC000766925709 804323556 /nfs/dbraw/zinc/32/35/56/804323556.db2.gz SBHGBXXIPFAURS-UHFFFAOYSA-N -1 0 318.376 -0.049 20 0 DBADRM COc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766927885 804323627 /nfs/dbraw/zinc/32/36/27/804323627.db2.gz CGBXDHRYNLVCPW-UHFFFAOYSA-N -1 0 306.727 -0.107 20 0 DBADRM CC[C@@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766926768 804323676 /nfs/dbraw/zinc/32/36/76/804323676.db2.gz ORAWICOZOJCHGA-NXEZZACHSA-N -1 0 306.384 -0.097 20 0 DBADRM COc1ccc(COCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766929648 804324257 /nfs/dbraw/zinc/32/42/57/804324257.db2.gz PMRIXODNRUSTGM-UHFFFAOYSA-N -1 0 316.335 -0.857 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C1(c2ccc(F)cc2)CC1 ZINC000766928507 804324386 /nfs/dbraw/zinc/32/43/86/804324386.db2.gz FZRYINFWYJANFV-UHFFFAOYSA-N -1 0 300.311 -0.211 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)CC(N)=O)oc2c1C(=O)CCC2 ZINC000766929094 804324430 /nfs/dbraw/zinc/32/44/30/804324430.db2.gz KLHYVYYYQNYLJG-UHFFFAOYSA-N -1 0 314.319 -0.348 20 0 DBADRM COc1ccc2nc(C(=O)[N-]S(=O)(=O)CC(N)=O)ccc2c1 ZINC000766928586 804324648 /nfs/dbraw/zinc/32/46/48/804324648.db2.gz HZODHNARCVXAJF-UHFFFAOYSA-N -1 0 323.330 -0.212 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1c[nH]c(C(N)=O)c1 ZINC000766971995 804324910 /nfs/dbraw/zinc/32/49/10/804324910.db2.gz RWDFEPHRZCHPHB-UHFFFAOYSA-N -1 0 303.340 -0.400 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1cc(C(=O)OC)no1 ZINC000766969759 804325152 /nfs/dbraw/zinc/32/51/52/804325152.db2.gz ZFVHNGGVMNZPQM-UHFFFAOYSA-N -1 0 320.323 -0.053 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)CCOCCOC ZINC000768221251 804337749 /nfs/dbraw/zinc/33/77/49/804337749.db2.gz YHJXLEFSTHBERT-SECBINFHSA-N -1 0 310.372 -0.990 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)/C=C\c1cnn(C)c1 ZINC000768232560 804338829 /nfs/dbraw/zinc/33/88/29/804338829.db2.gz WRIGBAZIWAKVMN-ARJAWSKDSA-N -1 0 317.367 -0.458 20 0 DBADRM Cc1cncc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 ZINC000768756571 804342575 /nfs/dbraw/zinc/34/25/75/804342575.db2.gz OYFLPSGZICULGN-UHFFFAOYSA-N -1 0 322.346 -0.054 20 0 DBADRM Cn1nc(C(=O)NC[C@](C)(O)C(=O)[O-])c2ccccc2c1=O ZINC000769747237 804352055 /nfs/dbraw/zinc/35/20/55/804352055.db2.gz YLRSFDYAGQXPAU-AWEZNQCLSA-N -1 0 305.290 -0.501 20 0 DBADRM CN(C)c1ncnc2c1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])n2C ZINC000769746074 804352626 /nfs/dbraw/zinc/35/26/26/804352626.db2.gz BTUNEJWLQHIQLN-CQSZACIVSA-N -1 0 321.337 -0.400 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccn(CCOC)n2)C1=O ZINC000769838716 804354162 /nfs/dbraw/zinc/35/41/62/804354162.db2.gz PAQIUNVJOLPLQK-ZDUSSCGKSA-N -1 0 309.326 -0.105 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)Cc2cnn(C)c2)nc1C ZINC000770205012 804359860 /nfs/dbraw/zinc/35/98/60/804359860.db2.gz DMDKIFABVXBPHO-UHFFFAOYSA-N -1 0 311.367 -0.007 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN(C)C(C)=O)nc1C ZINC000770200847 804360042 /nfs/dbraw/zinc/36/00/42/804360042.db2.gz HQXUKVWVJHJTID-UHFFFAOYSA-N -1 0 302.356 -0.505 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)CC(=O)OCC ZINC000770360967 804361564 /nfs/dbraw/zinc/36/15/64/804361564.db2.gz PNFMJKUOOZLJNY-UHFFFAOYSA-N -1 0 308.356 -0.698 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)Cc2ccnn2C)c1[O-] ZINC001282971867 804363663 /nfs/dbraw/zinc/36/36/63/804363663.db2.gz FZXJFQVBZCABOF-UHFFFAOYSA-N -1 0 306.326 -0.754 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cccc(-n3cccn3)n2)C1=O ZINC000770453412 804364042 /nfs/dbraw/zinc/36/40/42/804364042.db2.gz BDKSAIGDHGTTNF-UHFFFAOYSA-N -1 0 300.278 -0.194 20 0 DBADRM COc1nc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CC2)cc(=O)[n-]1 ZINC000770524388 804364685 /nfs/dbraw/zinc/36/46/85/804364685.db2.gz XTTXNBVTNZYVPP-LURJTMIESA-N -1 0 324.293 -0.276 20 0 DBADRM CCS(=O)(=O)NCCCOC(=O)c1cc(=O)[n-]c(OC)n1 ZINC000770517617 804364976 /nfs/dbraw/zinc/36/49/76/804364976.db2.gz MSPKFSYGJKRPGF-UHFFFAOYSA-N -1 0 319.339 -0.323 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2c(C)nn(C)c2C)c1[O-] ZINC001282975203 804365027 /nfs/dbraw/zinc/36/50/27/804365027.db2.gz PBNQHBZNQCOMOM-UHFFFAOYSA-N -1 0 320.353 -0.066 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O ZINC000770615544 804367357 /nfs/dbraw/zinc/36/73/57/804367357.db2.gz YZJYJKGSMOTGDB-UHFFFAOYSA-N -1 0 320.371 -0.979 20 0 DBADRM Cc1ccn(CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c(=O)c1 ZINC000772227266 804385232 /nfs/dbraw/zinc/38/52/32/804385232.db2.gz SXHAYQBNVSTFOJ-SNVBAGLBSA-N -1 0 304.310 -0.730 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001283023616 804386811 /nfs/dbraw/zinc/38/68/11/804386811.db2.gz OLFGIHGNBKLYJX-NXEZZACHSA-N -1 0 317.349 -0.085 20 0 DBADRM CCn1c(=O)c2ccc(C(=O)NOCC(N)=O)cc2[n-]c1=S ZINC000772937282 804394063 /nfs/dbraw/zinc/39/40/63/804394063.db2.gz ZMHIUYFDTSLQCL-UHFFFAOYSA-N -1 0 322.346 -0.148 20 0 DBADRM Cn1cc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)ccc1=O ZINC000773156465 804396605 /nfs/dbraw/zinc/39/66/05/804396605.db2.gz BFMWJJLBEJSKKE-SECBINFHSA-N -1 0 306.351 -0.171 20 0 DBADRM O=C(CN1CCCCC1=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000773157239 804397667 /nfs/dbraw/zinc/39/76/67/804397667.db2.gz AVUOGNGVXDTQJV-SECBINFHSA-N -1 0 310.383 -0.171 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)C1=O ZINC000774038643 804412229 /nfs/dbraw/zinc/41/22/29/804412229.db2.gz RQONOKDBSQGJKU-ZJUUUORDSA-N -1 0 304.368 -0.520 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)c1Cl ZINC000774021627 804412352 /nfs/dbraw/zinc/41/23/52/804412352.db2.gz JECIDQBGTYOOPY-LURJTMIESA-N -1 0 320.758 -0.643 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CCCCc2c[nH]nn2)cn1 ZINC000774045118 804412394 /nfs/dbraw/zinc/41/23/94/804412394.db2.gz IIQADTDJGUXPCY-UHFFFAOYSA-N -1 0 312.355 -0.244 20 0 DBADRM Cn1nccc1CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000774069371 804413301 /nfs/dbraw/zinc/41/33/01/804413301.db2.gz GFHDVWUJGXWUPZ-NSHDSACASA-N -1 0 301.368 -0.022 20 0 DBADRM CN(C)c1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)ccn1 ZINC000774102743 804414584 /nfs/dbraw/zinc/41/45/84/804414584.db2.gz APFWSHNQWRJNOA-UHFFFAOYSA-N -1 0 314.367 -0.546 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1ccc(C)cc1=O ZINC000774097886 804414832 /nfs/dbraw/zinc/41/48/32/804414832.db2.gz UCUHIRJVIRUIQQ-SNVBAGLBSA-N -1 0 302.352 -0.362 20 0 DBADRM CCn1nccc1C(=O)[N-]S(=O)(=O)CCCC(=O)OC ZINC000774097779 804415253 /nfs/dbraw/zinc/41/52/53/804415253.db2.gz XVFSDQYYUCKTIU-UHFFFAOYSA-N -1 0 303.340 -0.084 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cn1ccc(C)cc1=O ZINC000774134780 804415477 /nfs/dbraw/zinc/41/54/77/804415477.db2.gz MVUUHOKMLQIKBF-UHFFFAOYSA-N -1 0 317.367 -0.904 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)[N-]S(=O)(=O)C1CCC1 ZINC000774305152 804420562 /nfs/dbraw/zinc/42/05/62/804420562.db2.gz OFKXXRWZJWVUSL-UHFFFAOYSA-N -1 0 302.352 -0.086 20 0 DBADRM COCc1nc(C(=O)[N-]S(=O)(=O)c2ccnn2C)co1 ZINC000774480949 804424354 /nfs/dbraw/zinc/42/43/54/804424354.db2.gz GKGPGTYQRCBYDU-UHFFFAOYSA-N -1 0 300.296 -0.327 20 0 DBADRM COc1ccc(C(=O)NCC(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000774884148 804433450 /nfs/dbraw/zinc/43/34/50/804433450.db2.gz PFCXNGGVAIIYPG-UHFFFAOYSA-N -1 0 306.278 -0.008 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774972260 804435592 /nfs/dbraw/zinc/43/55/92/804435592.db2.gz PKUALSXFWZXLQS-ZETCQYMHSA-N -1 0 306.344 -0.483 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)OCc2n[nH]c(=O)[n-]2)co1 ZINC000774985701 804435781 /nfs/dbraw/zinc/43/57/81/804435781.db2.gz ODPYEBNRUNDZLC-UHFFFAOYSA-N -1 0 316.295 -0.289 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)Cn2cccn2)c1[O-] ZINC001283181920 804442968 /nfs/dbraw/zinc/44/29/68/804442968.db2.gz SBWLUMZXZWETTF-UHFFFAOYSA-N -1 0 306.326 -0.443 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000775536150 804443244 /nfs/dbraw/zinc/44/32/44/804443244.db2.gz RUNFLSKDALEFRT-NSHDSACASA-N -1 0 305.400 -0.446 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)COCCCOC)cn1 ZINC000776093898 804448538 /nfs/dbraw/zinc/44/85/38/804448538.db2.gz UJRLYMMRIVPGGM-UHFFFAOYSA-N -1 0 305.356 -0.239 20 0 DBADRM COc1ccccc1[C@@](N)(C(=O)[N-]OCC(N)=O)C(F)(F)F ZINC000776185214 804450955 /nfs/dbraw/zinc/45/09/55/804450955.db2.gz QDZSZMASDVWORO-LLVKDONJSA-N -1 0 321.255 -0.055 20 0 DBADRM CN1C(=O)CN(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1=O ZINC000776245067 804453026 /nfs/dbraw/zinc/45/30/26/804453026.db2.gz TXPFZJJJLYZQTL-UHFFFAOYSA-N -1 0 317.261 -0.431 20 0 DBADRM O=C(CCC1CC1)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001283210685 804454826 /nfs/dbraw/zinc/45/48/26/804454826.db2.gz WEBNGBZZRXBKQS-UHFFFAOYSA-N -1 0 311.342 -0.498 20 0 DBADRM CCC[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776444812 804455917 /nfs/dbraw/zinc/45/59/17/804455917.db2.gz WWQUETBGSLFJFR-JTQLQIEISA-N -1 0 322.383 -0.087 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)C[C@H]1CCCO1)C1CCOCC1 ZINC000776524385 804456822 /nfs/dbraw/zinc/45/68/22/804456822.db2.gz HHHMTPFFIPHIHS-MNOVXSKESA-N -1 0 307.368 -0.035 20 0 DBADRM CC[C@@H](CNS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776536413 804457114 /nfs/dbraw/zinc/45/71/14/804457114.db2.gz JDSXDSPPJSLGQG-JTQLQIEISA-N -1 0 322.383 -0.230 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)nc1Cl ZINC000776504799 804457273 /nfs/dbraw/zinc/45/72/73/804457273.db2.gz VGRDEXVCOOCGJV-POYBYMJQSA-N -1 0 323.758 -0.159 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000776522813 804457314 /nfs/dbraw/zinc/45/73/14/804457314.db2.gz GVMNPGOIJJIUOD-JTQLQIEISA-N -1 0 303.340 -0.124 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCNC(=O)C1=CCCC1 ZINC001283222935 804457667 /nfs/dbraw/zinc/45/76/67/804457667.db2.gz VIDVOCWHRGEQCV-UHFFFAOYSA-N -1 0 309.326 -0.578 20 0 DBADRM COCCn1cc(S(=O)(=O)NCC[C@H](C)C(=O)[O-])cn1 ZINC000776587240 804459456 /nfs/dbraw/zinc/45/94/56/804459456.db2.gz JVMDWNDELOVDPE-VIFPVBQESA-N -1 0 305.356 -0.081 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000776586895 804459496 /nfs/dbraw/zinc/45/94/96/804459496.db2.gz HWHRUOVEFMCCGE-UHFFFAOYSA-N -1 0 315.303 -0.264 20 0 DBADRM O=C([N-]OCCO)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000776582864 804459905 /nfs/dbraw/zinc/45/99/05/804459905.db2.gz AHMNHQAQGHKAKL-VIFPVBQESA-N -1 0 320.392 -0.059 20 0 DBADRM NC(=O)[C@@H]1CC(C(=O)[N-]OCCO)=NN1c1ccc(F)cc1 ZINC000776582020 804459946 /nfs/dbraw/zinc/45/99/46/804459946.db2.gz OAKAKZRKNGNXMH-NSHDSACASA-N -1 0 310.285 -0.714 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)[C@H]1CCOC1)[C@H](O)c1ccccc1 ZINC000776599858 804460579 /nfs/dbraw/zinc/46/05/79/804460579.db2.gz RBSWKJLKEVCIJI-QJPTWQEYSA-N -1 0 315.347 -0.119 20 0 DBADRM O=C([O-])[C@H](CC1CCOCC1)NS(=O)(=O)c1c[nH]cn1 ZINC000776600094 804460622 /nfs/dbraw/zinc/46/06/22/804460622.db2.gz FMSFIPMWAKIEGZ-VIFPVBQESA-N -1 0 303.340 -0.042 20 0 DBADRM COCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1 ZINC000776602034 804460858 /nfs/dbraw/zinc/46/08/58/804460858.db2.gz YABLPAHRCNSHDL-QWRGUYRKSA-N -1 0 303.336 -0.261 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC(C(=O)[O-])C1 ZINC000776657222 804461521 /nfs/dbraw/zinc/46/15/21/804461521.db2.gz AAKZAAGYLIDQFK-UHFFFAOYSA-N -1 0 317.323 -0.400 20 0 DBADRM CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCS(C)(=O)=O ZINC000776715247 804461840 /nfs/dbraw/zinc/46/18/40/804461840.db2.gz AXELJZSANBSGSX-IUCAKERBSA-N -1 0 315.413 -0.208 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCC(OCC(=O)[O-])CC1 ZINC000776695410 804461988 /nfs/dbraw/zinc/46/19/88/804461988.db2.gz JGUGXANLVNXKNN-VIFPVBQESA-N -1 0 323.367 -0.309 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000776690130 804462021 /nfs/dbraw/zinc/46/20/21/804462021.db2.gz MUVAJMUGZAWRFZ-ZETCQYMHSA-N -1 0 323.758 -0.062 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000776689655 804462026 /nfs/dbraw/zinc/46/20/26/804462026.db2.gz BIMJCCVZIKBSQH-JTQLQIEISA-N -1 0 323.367 -0.165 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776678713 804462093 /nfs/dbraw/zinc/46/20/93/804462093.db2.gz IFKZJBZDYKJKFE-UHFFFAOYSA-N -1 0 322.383 -0.133 20 0 DBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)N(C)C1CCOCC1 ZINC000776686061 804462141 /nfs/dbraw/zinc/46/21/41/804462141.db2.gz XPOXNIOFHLAYNP-SNVBAGLBSA-N -1 0 324.399 -0.501 20 0 DBADRM CCOCCOC1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000777520504 804472723 /nfs/dbraw/zinc/47/27/23/804472723.db2.gz PHYJDSCASJECCZ-UHFFFAOYSA-N -1 0 321.337 -0.665 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000777951324 804477638 /nfs/dbraw/zinc/47/76/38/804477638.db2.gz WFMGRXIIUNPEKO-ZETCQYMHSA-N -1 0 301.324 -0.436 20 0 DBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000778708325 804487594 /nfs/dbraw/zinc/48/75/94/804487594.db2.gz XXUUGUVZIJCREN-UHFFFAOYSA-N -1 0 319.770 -0.128 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)c1 ZINC000778693833 804487897 /nfs/dbraw/zinc/48/78/97/804487897.db2.gz BACKPCPIYFZAQN-UHFFFAOYSA-N -1 0 316.383 -0.399 20 0 DBADRM CCOc1cnc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cn1 ZINC000778767967 804489218 /nfs/dbraw/zinc/48/92/18/804489218.db2.gz AQVAEFPBGLJYRW-SECBINFHSA-N -1 0 305.298 -0.398 20 0 DBADRM CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC ZINC000778849528 804490100 /nfs/dbraw/zinc/49/01/00/804490100.db2.gz SRWMDYOKJSOGSU-QMMMGPOBSA-N -1 0 305.356 -0.033 20 0 DBADRM COc1ccc(CCS(=O)(=O)[N-]C(=O)CNC(C)=O)cc1 ZINC000778885878 804490977 /nfs/dbraw/zinc/49/09/77/804490977.db2.gz PIGDWXALNJIFEX-UHFFFAOYSA-N -1 0 314.363 -0.180 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)CSc1n[n-]c(=S)s1 ZINC000778947843 804491346 /nfs/dbraw/zinc/49/13/46/804491346.db2.gz RAQYMSFGZYNSCJ-BYPYZUCNSA-N -1 0 309.394 -0.431 20 0 DBADRM CN(CCOCCNC(=O)[C@@H]1CCOC1)Cc1n[nH]c(=O)[n-]1 ZINC001283359733 804491838 /nfs/dbraw/zinc/49/18/38/804491838.db2.gz MHDSVAIOKGYGGN-SNVBAGLBSA-N -1 0 313.358 -0.889 20 0 DBADRM Cc1cnoc1C(=O)NCCOCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001283417683 804503447 /nfs/dbraw/zinc/50/34/47/804503447.db2.gz VIFFWORYOHIJHH-UHFFFAOYSA-N -1 0 324.341 -0.315 20 0 DBADRM NC(=O)c1cc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)n[nH]1 ZINC000779807704 804509108 /nfs/dbraw/zinc/50/91/08/804509108.db2.gz KXPBZBZFWWNIAE-UHFFFAOYSA-N -1 0 310.339 -0.158 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)N1CCOC[C@@H]1C(=O)[O-])CC2 ZINC000780528916 804516678 /nfs/dbraw/zinc/51/66/78/804516678.db2.gz MAWAQMNPHBIHDC-VHSXEESVSA-N -1 0 309.326 -0.604 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)NCCOC[C@@H]1CCCO1 ZINC000780577695 804517568 /nfs/dbraw/zinc/51/75/68/804517568.db2.gz RGEFLAUZKFPMEN-QWRGUYRKSA-N -1 0 302.327 -0.323 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)c[nH]1 ZINC000780624275 804517841 /nfs/dbraw/zinc/51/78/41/804517841.db2.gz MEFVQSIBDJPFAL-QMMMGPOBSA-N -1 0 301.324 -0.648 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780612274 804517955 /nfs/dbraw/zinc/51/79/55/804517955.db2.gz JBMOEAAHPUXBHL-SNVBAGLBSA-N -1 0 306.384 -0.082 20 0 DBADRM COC1(CNC(=O)N2CCOC[C@@H]2C(=O)[O-])CCOCC1 ZINC000780693642 804518985 /nfs/dbraw/zinc/51/89/85/804518985.db2.gz DNVIBHIJVMRFMU-SNVBAGLBSA-N -1 0 302.327 -0.323 20 0 DBADRM C[C@H](NC(=O)NCCNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000780695442 804519253 /nfs/dbraw/zinc/51/92/53/804519253.db2.gz SEVAWASGOSTVSD-QMMMGPOBSA-N -1 0 316.339 -0.868 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)NCC(C)(C)C(=O)[O-] ZINC000781134506 804524471 /nfs/dbraw/zinc/52/44/71/804524471.db2.gz JQFPZRFLCKXXDV-UHFFFAOYSA-N -1 0 310.372 -0.831 20 0 DBADRM Cn1cnn(CC(=O)OCC(=O)[N-]OCc2ccccc2)c1=O ZINC000781267108 804526745 /nfs/dbraw/zinc/52/67/45/804526745.db2.gz XSFZRQSDARZGMY-UHFFFAOYSA-N -1 0 320.305 -0.627 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC(F)(F)C[C@H]1CO ZINC000781328795 804527771 /nfs/dbraw/zinc/52/77/71/804527771.db2.gz BUGFXEJIZYSLGM-ZETCQYMHSA-N -1 0 313.264 -0.700 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)Cc2ccon2)on1 ZINC000781464695 804529170 /nfs/dbraw/zinc/52/91/70/804529170.db2.gz XJGFGCMCODFSMD-UHFFFAOYSA-N -1 0 315.263 -0.291 20 0 DBADRM O=C(Cn1ccccc1=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781512610 804529586 /nfs/dbraw/zinc/52/95/86/804529586.db2.gz JWPRCJRHQXPBKS-JTQLQIEISA-N -1 0 300.336 -0.527 20 0 DBADRM O=C(Cn1ccccc1=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781512611 804529637 /nfs/dbraw/zinc/52/96/37/804529637.db2.gz JWPRCJRHQXPBKS-SNVBAGLBSA-N -1 0 300.336 -0.527 20 0 DBADRM O=C(CCN1CCCC1=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781497106 804529873 /nfs/dbraw/zinc/52/98/73/804529873.db2.gz HNWQTEUCKQTBRP-SNVBAGLBSA-N -1 0 304.368 -0.376 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)on1 ZINC000781509244 804530037 /nfs/dbraw/zinc/53/00/37/804530037.db2.gz ABNZBUKCISVDRL-SSDOTTSWSA-N -1 0 318.307 -0.300 20 0 DBADRM O=C(CCn1ccccc1=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781515125 804530688 /nfs/dbraw/zinc/53/06/88/804530688.db2.gz SFQLGPPJUPYPBS-LLVKDONJSA-N -1 0 314.363 -0.137 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000781726881 804533268 /nfs/dbraw/zinc/53/32/68/804533268.db2.gz WXWMZPLZISWFKN-QMMMGPOBSA-N -1 0 314.367 -0.377 20 0 DBADRM CC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)cc1 ZINC000781733004 804534406 /nfs/dbraw/zinc/53/44/06/804534406.db2.gz WISLZYULDDTZPC-UHFFFAOYSA-N -1 0 323.334 -0.108 20 0 DBADRM C[C@H]1CC[C@@H](CCC(=O)[N-]S(=O)(=O)c2cnnn2C)O1 ZINC000781736579 804534540 /nfs/dbraw/zinc/53/45/40/804534540.db2.gz XUAYCLWTSBTDGC-IUCAKERBSA-N -1 0 302.356 -0.032 20 0 DBADRM Cn1cnc2cc(C(=O)[N-]S(=O)(=O)c3cnnn3C)ccc21 ZINC000781731647 804534548 /nfs/dbraw/zinc/53/45/48/804534548.db2.gz FJQOQKMQEUADFO-UHFFFAOYSA-N -1 0 320.334 -0.180 20 0 DBADRM COc1ccc(CC(=O)[N-]S(=O)(=O)c2cnnn2C)cc1 ZINC000781738048 804534717 /nfs/dbraw/zinc/53/47/17/804534717.db2.gz LSTWVAPYGNYKIL-UHFFFAOYSA-N -1 0 310.335 -0.129 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cccc2c1OCO2 ZINC000781740446 804535477 /nfs/dbraw/zinc/53/54/77/804535477.db2.gz OXTXVVCNYMXFLP-UHFFFAOYSA-N -1 0 310.291 -0.338 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)COCCc1ccccc1 ZINC000781740647 804536031 /nfs/dbraw/zinc/53/60/31/804536031.db2.gz DWCRQPUAQQELPO-UHFFFAOYSA-N -1 0 324.362 -0.121 20 0 DBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(C)=O)cn1 ZINC000781857727 804536847 /nfs/dbraw/zinc/53/68/47/804536847.db2.gz NHRZCYRKNZSCOE-QMMMGPOBSA-N -1 0 315.351 -0.190 20 0 DBADRM CC[C@H](F)C(=O)NCCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001283620354 804540662 /nfs/dbraw/zinc/54/06/62/804540662.db2.gz VFPDQMAIZHLUPM-ZETCQYMHSA-N -1 0 315.305 -0.391 20 0 DBADRM CC(=O)c1cccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1 ZINC000782130798 804540756 /nfs/dbraw/zinc/54/07/56/804540756.db2.gz OIAFDZPHEFHUGW-UHFFFAOYSA-N -1 0 311.319 -0.024 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)Cc2ccn(C)n2)nc1C ZINC000782630426 804552626 /nfs/dbraw/zinc/55/26/26/804552626.db2.gz KZVBUYVVELDZJM-UHFFFAOYSA-N -1 0 311.367 -0.007 20 0 DBADRM CCOC(=O)[C@@H](CO)NC(=O)CSc1n[n-]c(=S)s1 ZINC000782763384 804554892 /nfs/dbraw/zinc/55/48/92/804554892.db2.gz AEMCYAZMMHZDPF-RXMQYKEDSA-N -1 0 323.421 -0.041 20 0 DBADRM C[C@@H](CO[N-]C(=O)CS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC000783662121 804569893 /nfs/dbraw/zinc/56/98/93/804569893.db2.gz DHUAQGLFAHFQMX-QMMMGPOBSA-N -1 0 310.372 -0.008 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001324998417 807023258 /nfs/dbraw/zinc/02/32/58/807023258.db2.gz CUZVUZINQPFANA-VHSXEESVSA-N -1 0 322.383 -0.847 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccn(CCOC)n1 ZINC000784504342 804581616 /nfs/dbraw/zinc/58/16/16/804581616.db2.gz HLIOGSPBUYHPJN-UHFFFAOYSA-N -1 0 305.356 -0.374 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)N(C)C(C)C)n1 ZINC000784508256 804581748 /nfs/dbraw/zinc/58/17/48/804581748.db2.gz XHAVIAAMYNSVEU-UHFFFAOYSA-N -1 0 304.372 -0.156 20 0 DBADRM CO[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC[C@H]1C ZINC000784663459 804584520 /nfs/dbraw/zinc/58/45/20/804584520.db2.gz OLJOEVUOPSBVTL-KOLCDFICSA-N -1 0 305.338 -0.045 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]N2CCCNC2=O)cc1 ZINC000784723208 804585549 /nfs/dbraw/zinc/58/55/49/804585549.db2.gz CFBRARNWGJXIPN-UHFFFAOYSA-N -1 0 312.351 -0.345 20 0 DBADRM O=C1NCCc2ccc(S(=O)(=O)[N-]N3CCCNC3=O)cc21 ZINC000784725238 804585736 /nfs/dbraw/zinc/58/57/36/804585736.db2.gz YYFHQHKGCWAAMX-UHFFFAOYSA-N -1 0 324.362 -0.419 20 0 DBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]N3CCCNC3=O)cc12 ZINC000784723293 804585850 /nfs/dbraw/zinc/58/58/50/804585850.db2.gz FQHLSIZSSYDGAE-UHFFFAOYSA-N -1 0 324.366 -0.115 20 0 DBADRM CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000784717804 804585953 /nfs/dbraw/zinc/58/59/53/804585953.db2.gz RYTWCBBSIIKOQG-DTWKUNHWSA-N -1 0 321.337 -0.225 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C ZINC000784817623 804588339 /nfs/dbraw/zinc/58/83/39/804588339.db2.gz IMNRASMTUBIFEH-VIFPVBQESA-N -1 0 314.367 -0.537 20 0 DBADRM Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cn1 ZINC000784871992 804589354 /nfs/dbraw/zinc/58/93/54/804589354.db2.gz QYMXUQTWCUAPPX-JTQLQIEISA-N -1 0 301.368 -0.067 20 0 DBADRM COc1cccc(CS(=O)(=O)[N-]C(=O)CS(C)(=O)=O)c1 ZINC000785119544 804591830 /nfs/dbraw/zinc/59/18/30/804591830.db2.gz ZTOOPYUXFAGGOS-UHFFFAOYSA-N -1 0 321.376 -0.314 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000785384201 804597816 /nfs/dbraw/zinc/59/78/16/804597816.db2.gz HSTVPLKODURQLL-JTQLQIEISA-N -1 0 318.333 -0.465 20 0 DBADRM CCCCCn1nc(C)cc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785384370 804597872 /nfs/dbraw/zinc/59/78/72/804597872.db2.gz JOICANGEAXNCIQ-UHFFFAOYSA-N -1 0 311.342 -0.147 20 0 DBADRM Cc1cc(NC(=O)C(=O)[N-]OCC(N)=O)n(-c2ccccc2)n1 ZINC000785390706 804598184 /nfs/dbraw/zinc/59/81/84/804598184.db2.gz VFDAMXDYYDLPMG-UHFFFAOYSA-N -1 0 317.305 -0.348 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccnn1-c1cccc(F)c1 ZINC000785389673 804598694 /nfs/dbraw/zinc/59/86/94/804598694.db2.gz VFMUJPIXLPPLEC-UHFFFAOYSA-N -1 0 321.268 -0.517 20 0 DBADRM COc1cc(F)c(NC(=O)C(=O)[N-]OCC(N)=O)cc1F ZINC000785389374 804598724 /nfs/dbraw/zinc/59/87/24/804598724.db2.gz RGMWIWXVCMYMEF-UHFFFAOYSA-N -1 0 303.221 -0.555 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCCOCC1 ZINC000786470283 804615277 /nfs/dbraw/zinc/61/52/77/804615277.db2.gz HRUOADJEFCSVPZ-NSHDSACASA-N -1 0 309.384 -0.088 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000786943680 804625302 /nfs/dbraw/zinc/62/53/02/804625302.db2.gz CHMSXPIFWMBWQA-IVZWLZJFSA-N -1 0 306.384 -0.241 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000786950501 804626530 /nfs/dbraw/zinc/62/65/30/804626530.db2.gz MLOOILIEIWMMAN-ZJUUUORDSA-N -1 0 306.384 -0.239 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC000786950497 804626535 /nfs/dbraw/zinc/62/65/35/804626535.db2.gz MLOOILIEIWMMAN-UWVGGRQHSA-N -1 0 306.384 -0.239 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000787511017 804635215 /nfs/dbraw/zinc/63/52/15/804635215.db2.gz DBXPGWYINXOHNG-BDAKNGLRSA-N -1 0 319.321 -0.519 20 0 DBADRM C/C=C(/C)C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001284085359 804637508 /nfs/dbraw/zinc/63/75/08/804637508.db2.gz ILEMWRMYBWTKNC-WLHAEXIISA-N -1 0 307.310 -0.374 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])c[nH]1 ZINC000787934892 804646940 /nfs/dbraw/zinc/64/69/40/804646940.db2.gz RDIMLRKTRWXFLX-MRVPVSSYSA-N -1 0 318.307 -0.488 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000788089351 804649760 /nfs/dbraw/zinc/64/97/60/804649760.db2.gz CIFAIIYYKFUDPR-UHFFFAOYSA-N -1 0 318.355 -0.323 20 0 DBADRM CCN(CC)C(=O)CCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000788178969 804653197 /nfs/dbraw/zinc/65/31/97/804653197.db2.gz XSUKTKTUJAHDKJ-UHFFFAOYSA-N -1 0 321.399 -0.783 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)C2CN(C(C)=O)C2)cc1 ZINC000788346958 804656601 /nfs/dbraw/zinc/65/66/01/804656601.db2.gz AJCXIFBZNZCKDY-UHFFFAOYSA-N -1 0 312.347 -0.022 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CC1CCC2(CC1)OCCO2 ZINC000788372148 804657936 /nfs/dbraw/zinc/65/79/36/804657936.db2.gz DOJINYDMGMONMK-UHFFFAOYSA-N -1 0 320.367 -0.759 20 0 DBADRM O=C([O-])/C=C\CNS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000788444447 804661327 /nfs/dbraw/zinc/66/13/27/804661327.db2.gz BFBJVHFLFZNDEI-UPHRSURJSA-N -1 0 309.307 -0.419 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)NC/C=C\C(=O)[O-] ZINC000788444330 804661838 /nfs/dbraw/zinc/66/18/38/804661838.db2.gz ALWDLUMHABMZDC-IHWYPQMZSA-N -1 0 306.321 -0.151 20 0 DBADRM CN(C)C(=O)c1cc(S(=O)(=O)NC/C=C/C(=O)[O-])cn1C ZINC000788445974 804662021 /nfs/dbraw/zinc/66/20/21/804662021.db2.gz ICPFODKIBXSWOC-SNAWJCMRSA-N -1 0 315.351 -0.354 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cccc2nonc21)CC(=O)[O-] ZINC000788699129 804666486 /nfs/dbraw/zinc/66/64/86/804666486.db2.gz SBMJUQQAGDGFRK-ZETCQYMHSA-N -1 0 315.307 -0.009 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@]1(C)C=CCC1 ZINC001284289205 804676098 /nfs/dbraw/zinc/67/60/98/804676098.db2.gz QCXVWDQJPXQBMM-RMLUDKJBSA-N -1 0 321.337 -0.126 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000789791718 804676369 /nfs/dbraw/zinc/67/63/69/804676369.db2.gz SCQAYOQPACZAHC-IUCAKERBSA-N -1 0 303.340 -0.201 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)c1Cl ZINC000789802824 804676628 /nfs/dbraw/zinc/67/66/28/804676628.db2.gz MZBNSNBWULLLQM-UHFFFAOYSA-N -1 0 318.746 -0.440 20 0 DBADRM Cc1csc(=O)n1CCC(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000789792150 804676637 /nfs/dbraw/zinc/67/66/37/804676637.db2.gz YGYUFQSRXKEIST-UHFFFAOYSA-N -1 0 316.364 -0.163 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000789825165 804677924 /nfs/dbraw/zinc/67/79/24/804677924.db2.gz IWEQBTSXKLNVKH-UHFFFAOYSA-N -1 0 306.282 -0.705 20 0 DBADRM Cc1c(C(=O)[N-]N2CC(=O)NC2=O)nnn1CC1CCCC1 ZINC000789899124 804678472 /nfs/dbraw/zinc/67/84/72/804678472.db2.gz OHRICICLPDZLQF-UHFFFAOYSA-N -1 0 306.326 -0.027 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCN(C(N)=O)C1 ZINC000789945661 804680102 /nfs/dbraw/zinc/68/01/02/804680102.db2.gz NKUOHGJXRAOXQA-SFYZADRCSA-N -1 0 324.303 -0.041 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C(N)=O ZINC000790006286 804681582 /nfs/dbraw/zinc/68/15/82/804681582.db2.gz YWHMGVAPIGLHJC-RQJHMYQMSA-N -1 0 313.276 -0.694 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(C)C[C@H](O)CO ZINC000790011050 804682058 /nfs/dbraw/zinc/68/20/58/804682058.db2.gz RQWSTKBPNBAUMK-YUMQZZPRSA-N -1 0 300.277 -0.499 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(N2CCOCC2)nc1 ZINC000790077549 804683659 /nfs/dbraw/zinc/68/36/59/804683659.db2.gz TUXRRPFHFOQVKI-UHFFFAOYSA-N -1 0 319.321 -0.433 20 0 DBADRM Cn1nc(C(=O)NCCc2nc(=O)o[n-]2)c2ccccc2c1=O ZINC000790079951 804684119 /nfs/dbraw/zinc/68/41/19/804684119.db2.gz QTAFEAZSZVMODV-UHFFFAOYSA-N -1 0 315.289 -0.418 20 0 DBADRM Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2cc(=O)[nH][n-]2)cn1 ZINC000791386915 804703235 /nfs/dbraw/zinc/70/32/35/804703235.db2.gz DZYSQQAZOVEOKL-JTQLQIEISA-N -1 0 303.322 -0.140 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCCC1)[C@@H]1CCCCS1(=O)=O ZINC000791785540 804707413 /nfs/dbraw/zinc/70/74/13/804707413.db2.gz KXXQCQXONNRBQP-JTQLQIEISA-N -1 0 324.424 -0.199 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1(=O)=O ZINC000791809714 804709079 /nfs/dbraw/zinc/70/90/79/804709079.db2.gz QBWZCFYWNCHIOZ-BDAKNGLRSA-N -1 0 313.397 -0.565 20 0 DBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)c1nnnn1C1CC1 ZINC000791922631 804711397 /nfs/dbraw/zinc/71/13/97/804711397.db2.gz QVJWDHMKSNKCOG-ZCFIWIBFSA-N -1 0 305.298 -0.702 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1cn(C(C)(C)C)nn1 ZINC000791881658 804711448 /nfs/dbraw/zinc/71/14/48/804711448.db2.gz YRCPGLGYUNRKPV-UHFFFAOYSA-N -1 0 312.355 -0.115 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791934952 804712291 /nfs/dbraw/zinc/71/22/91/804712291.db2.gz LHHMSNIBVHPFPH-SNVBAGLBSA-N -1 0 317.342 -0.254 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc(=O)[nH][n-]1 ZINC000792517690 804718006 /nfs/dbraw/zinc/71/80/06/804718006.db2.gz ZNCOBPFISDGJAF-LLVKDONJSA-N -1 0 318.308 -0.081 20 0 DBADRM COCCOCC(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001284506037 804723569 /nfs/dbraw/zinc/72/35/69/804723569.db2.gz KRAYKHZXPSSWEQ-UHFFFAOYSA-N -1 0 314.342 -0.725 20 0 DBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000793130624 804725140 /nfs/dbraw/zinc/72/51/40/804725140.db2.gz SFGROMQQBWSEKZ-UHFFFAOYSA-N -1 0 302.356 -0.607 20 0 DBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)CCOc2ccccc2)n1 ZINC000793162137 804725982 /nfs/dbraw/zinc/72/59/82/804725982.db2.gz LYMLEEKWDLISIN-UHFFFAOYSA-N -1 0 310.335 -0.046 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)COCc1ccnn1C ZINC000793175764 804726078 /nfs/dbraw/zinc/72/60/78/804726078.db2.gz UTYPOLMMTXNRMO-UHFFFAOYSA-N -1 0 304.372 -0.361 20 0 DBADRM COc1ncc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1Cl ZINC000793196952 804727667 /nfs/dbraw/zinc/72/76/67/804727667.db2.gz OETIZSCHCYRZPL-UHFFFAOYSA-N -1 0 307.715 -0.712 20 0 DBADRM O=C(Cn1ccccc1=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000793312606 804728588 /nfs/dbraw/zinc/72/85/88/804728588.db2.gz MWYYPZOEHUMJKV-UHFFFAOYSA-N -1 0 307.331 -0.111 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCC(=O)NC1CCCCC1 ZINC000793760715 804736679 /nfs/dbraw/zinc/73/66/79/804736679.db2.gz KTTNJRKQZSCBPH-UHFFFAOYSA-N -1 0 315.370 -0.364 20 0 DBADRM CC/C=C(/C)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001284557645 804737276 /nfs/dbraw/zinc/73/72/76/804737276.db2.gz KAXHARUYKWYHIO-YVMONPNESA-N -1 0 309.326 -0.173 20 0 DBADRM NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000795354548 804758661 /nfs/dbraw/zinc/75/86/61/804758661.db2.gz XRMWFQBDTYQTAH-UHFFFAOYSA-N -1 0 322.302 -0.020 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000795779697 804764060 /nfs/dbraw/zinc/76/40/60/804764060.db2.gz OHBROCFUWAKBHK-ZDUSSCGKSA-N -1 0 308.294 -0.525 20 0 DBADRM COC[C@@H](CO)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000795806406 804765065 /nfs/dbraw/zinc/76/50/65/804765065.db2.gz VSNRNZBBRULQLL-SECBINFHSA-N -1 0 323.374 -0.191 20 0 DBADRM Cc1ccc(NC(=O)c2cc(=O)[nH][n-]2)cc1N1C(=O)CNC1=O ZINC000796047518 804767267 /nfs/dbraw/zinc/76/72/67/804767267.db2.gz WPZDJEXNTZKISL-UHFFFAOYSA-N -1 0 315.289 -0.134 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CCc1ccccc1C(N)=O ZINC000796699540 804772342 /nfs/dbraw/zinc/77/23/42/804772342.db2.gz OJRUPOZOZZKYOH-UHFFFAOYSA-N -1 0 314.363 -0.190 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)CCC(=O)c1cnn(C)c1 ZINC000796699032 804772815 /nfs/dbraw/zinc/77/28/15/804772815.db2.gz FCOAKCIWIWFOPJ-UHFFFAOYSA-N -1 0 317.367 -0.135 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000796694677 804772922 /nfs/dbraw/zinc/77/29/22/804772922.db2.gz ZUVPDPBAPFBBSU-UHFFFAOYSA-N -1 0 303.315 -0.050 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)C1CC1 ZINC000796611827 804773029 /nfs/dbraw/zinc/77/30/29/804773029.db2.gz LZLILHVAHBFYIP-JTQLQIEISA-N -1 0 315.351 -0.646 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000796708181 804773900 /nfs/dbraw/zinc/77/39/00/804773900.db2.gz SEFKOFFKDVJEEF-UHFFFAOYSA-N -1 0 315.351 -0.181 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)c2cc(F)ccc21 ZINC000796825836 804774280 /nfs/dbraw/zinc/77/42/80/804774280.db2.gz CGFCZRKLEBFMAE-UHFFFAOYSA-N -1 0 313.310 -0.138 20 0 DBADRM C[C@H]1C(=O)CC[C@@H]1CC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000796730110 804774288 /nfs/dbraw/zinc/77/42/88/804774288.db2.gz BNJXLRJUVOOZEA-NXEZZACHSA-N -1 0 304.368 -0.315 20 0 DBADRM Cc1nc2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2n1C ZINC000796829317 804774303 /nfs/dbraw/zinc/77/43/03/804774303.db2.gz QNQPTUUJJXQDHF-UHFFFAOYSA-N -1 0 310.335 -0.573 20 0 DBADRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1cc[nH]n1)N1CCCC1=O ZINC000796873191 804774809 /nfs/dbraw/zinc/77/48/09/804774809.db2.gz ISYOOAKNCIFHHW-LLVKDONJSA-N -1 0 314.367 -0.138 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)on1 ZINC000796882824 804774835 /nfs/dbraw/zinc/77/48/35/804774835.db2.gz KATZHSCIPFKEHX-UHFFFAOYSA-N -1 0 300.252 -0.697 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2 ZINC000796882609 804774955 /nfs/dbraw/zinc/77/49/55/804774955.db2.gz LYJRKRZJPAHHMT-MRVPVSSYSA-N -1 0 303.340 -0.240 20 0 DBADRM COC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796871875 804775026 /nfs/dbraw/zinc/77/50/26/804775026.db2.gz KDTCXCJWQKBEBB-QMMMGPOBSA-N -1 0 318.355 -0.015 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)C1 ZINC000796872232 804775133 /nfs/dbraw/zinc/77/51/33/804775133.db2.gz GHQYVVRNLHZNIB-SECBINFHSA-N -1 0 300.340 -0.527 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796882274 804775171 /nfs/dbraw/zinc/77/51/71/804775171.db2.gz FLXVRYFLTMYNSJ-ZETCQYMHSA-N -1 0 302.356 -0.235 20 0 DBADRM Cn1ncc2cc(C(=O)[N-]S(=O)(=O)c3cc[nH]n3)cnc21 ZINC000796883768 804775960 /nfs/dbraw/zinc/77/59/60/804775960.db2.gz PCVKQAYVLAKADY-UHFFFAOYSA-N -1 0 306.307 -0.190 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)CC1=O ZINC000796884224 804775992 /nfs/dbraw/zinc/77/59/92/804775992.db2.gz QDDQGCHNQSAQGF-VIFPVBQESA-N -1 0 314.367 -0.281 20 0 DBADRM NC(=O)COc1cccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)c1 ZINC000796883461 804776082 /nfs/dbraw/zinc/77/60/82/804776082.db2.gz OPCQMTBWACJQKE-UHFFFAOYSA-N -1 0 324.318 -0.608 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCC(=O)c1cnn(C)c1 ZINC000796905026 804776135 /nfs/dbraw/zinc/77/61/35/804776135.db2.gz LCECIYWAJZPJMK-VIFPVBQESA-N -1 0 317.367 -0.136 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)CCc1ccn(C)n1 ZINC000796985758 804776678 /nfs/dbraw/zinc/77/66/78/804776678.db2.gz XIWGCZHYQMMYDS-UHFFFAOYSA-N -1 0 319.383 -0.538 20 0 DBADRM NC(=O)CC(=O)NC1(C2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001284842253 804776850 /nfs/dbraw/zinc/77/68/50/804776850.db2.gz AAWWVQDIKXHUGE-UHFFFAOYSA-N -1 0 322.369 -0.754 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C(C)C)nn1 ZINC000797062283 804777437 /nfs/dbraw/zinc/77/74/37/804777437.db2.gz OCGKAYQERIJKMZ-SSDOTTSWSA-N -1 0 304.328 -0.520 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ncccc1Cl ZINC000797128764 804777921 /nfs/dbraw/zinc/77/79/21/804777921.db2.gz RYFISGBHNUBJER-UHFFFAOYSA-N -1 0 301.715 -0.018 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)COCc1nnc(C)s1 ZINC000797069428 804777930 /nfs/dbraw/zinc/77/79/30/804777930.db2.gz GQKCCKNEJWRDPJ-UHFFFAOYSA-N -1 0 308.385 -0.324 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CCc1cncnc1 ZINC000797218856 804778005 /nfs/dbraw/zinc/77/80/05/804778005.db2.gz IDHVGROZBJBFTF-UHFFFAOYSA-N -1 0 311.323 -0.207 20 0 DBADRM CNC(=O)CC(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001284858706 804778572 /nfs/dbraw/zinc/77/85/72/804778572.db2.gz HSTYJPLYYCNEGQ-VIFPVBQESA-N -1 0 323.353 -0.719 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)CCC(F)(F)F)C1 ZINC000797267242 804778602 /nfs/dbraw/zinc/77/86/02/804778602.db2.gz ANYYRYUWTIUGOZ-UHFFFAOYSA-N -1 0 302.274 -0.137 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cnn3c2OCCC3)CC1 ZINC000797275862 804778730 /nfs/dbraw/zinc/77/87/30/804778730.db2.gz NRAKHJYXBZGVSV-UHFFFAOYSA-N -1 0 315.351 -0.096 20 0 DBADRM COCc1nc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)co1 ZINC000797282787 804778838 /nfs/dbraw/zinc/77/88/38/804778838.db2.gz HZHBEPKALNHQHU-LURJTMIESA-N -1 0 306.296 -0.558 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1OC ZINC000797282752 804778963 /nfs/dbraw/zinc/77/89/63/804778963.db2.gz HWZXIGSODMZZJW-ZETCQYMHSA-N -1 0 319.339 -0.642 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccnc(N(C)C)c1 ZINC000797280402 804778996 /nfs/dbraw/zinc/77/89/96/804778996.db2.gz BKWKZZZEISMRDX-QMMMGPOBSA-N -1 0 315.351 -0.231 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000797273042 804779053 /nfs/dbraw/zinc/77/90/53/804779053.db2.gz BVPSTASKBWHJMY-NTSWFWBYSA-N -1 0 302.274 -0.104 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)COC[C@H]1CCCO1 ZINC000797295383 804779772 /nfs/dbraw/zinc/77/97/72/804779772.db2.gz UQTNMNMHBSIUQP-DTWKUNHWSA-N -1 0 309.340 -0.811 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC000797285500 804780001 /nfs/dbraw/zinc/78/00/01/804780001.db2.gz OLKCTZNGNQHGDG-SECBINFHSA-N -1 0 316.335 -0.754 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)CCC(C)C ZINC000797298532 804780568 /nfs/dbraw/zinc/78/05/68/804780568.db2.gz MWNGMGKXAXSSLC-SECBINFHSA-N -1 0 322.383 -0.454 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CN(C)[C@H]1CCSC1 ZINC000797300009 804780605 /nfs/dbraw/zinc/78/06/05/804780605.db2.gz PVAHATIPQQWNGL-IUCAKERBSA-N -1 0 324.424 -0.569 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](OC)c1cnn(C)c1 ZINC000797300317 804780658 /nfs/dbraw/zinc/78/06/58/804780658.db2.gz MKGASMQCFPSDKU-IONNQARKSA-N -1 0 319.339 -0.885 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cs1 ZINC000797306078 804780730 /nfs/dbraw/zinc/78/07/30/804780730.db2.gz RWVOGILAKUISEB-RXMQYKEDSA-N -1 0 320.348 -0.532 20 0 DBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000797306250 804781094 /nfs/dbraw/zinc/78/10/94/804781094.db2.gz UHWFQADSHQAKBW-MRVPVSSYSA-N -1 0 324.355 -0.480 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000797970250 804784725 /nfs/dbraw/zinc/78/47/25/804784725.db2.gz RAWDBANBRACVAN-UHFFFAOYSA-N -1 0 314.348 -0.368 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1c(C)nn(C)c1C ZINC000798200577 804786791 /nfs/dbraw/zinc/78/67/91/804786791.db2.gz MJVOCTCYGYOEFZ-SECBINFHSA-N -1 0 317.367 -0.413 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccn2)CC1=O ZINC000798206514 804786988 /nfs/dbraw/zinc/78/69/88/804786988.db2.gz ZLQAPWZZNDLMPB-SNVBAGLBSA-N -1 0 311.363 -0.104 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C2CC2)n[nH]1 ZINC000798201155 804787119 /nfs/dbraw/zinc/78/71/19/804787119.db2.gz RVAVPHHOPCJPOC-LURJTMIESA-N -1 0 301.324 -0.092 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CSCCS1 ZINC000798199759 804787260 /nfs/dbraw/zinc/78/72/60/804787260.db2.gz JZKVZZAVIFNHRL-RNFRBKRXSA-N -1 0 313.422 -0.158 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)cc1 ZINC000798201016 804787435 /nfs/dbraw/zinc/78/74/35/804787435.db2.gz QDLUBUKTNSAYSU-SSDOTTSWSA-N -1 0 314.319 -0.593 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)C(C)(C)C ZINC000798199955 804787498 /nfs/dbraw/zinc/78/74/98/804787498.db2.gz IMRRDXBOUUVCKB-MRVPVSSYSA-N -1 0 322.383 -0.454 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2cnnn2C)c1Cl ZINC000798821865 804801712 /nfs/dbraw/zinc/80/17/12/804801712.db2.gz MVUSXSQKTQHRRT-UHFFFAOYSA-N -1 0 304.719 -0.679 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](OC)c1cnn(C)c1 ZINC000798830188 804802589 /nfs/dbraw/zinc/80/25/89/804802589.db2.gz OIHXUPFKUXZMGC-WPRPVWTQSA-N -1 0 305.356 -0.412 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)C[C@H](C)OC)c1cnn(C)c1 ZINC000798860757 804803126 /nfs/dbraw/zinc/80/31/26/804803126.db2.gz FACBUSVLDXCICZ-WCBMZHEXSA-N -1 0 305.356 -0.412 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)[N-]S(=O)(=O)c1cc[nH]n1)CC2 ZINC000798858748 804803166 /nfs/dbraw/zinc/80/31/66/804803166.db2.gz RFOOSTYYBHPIMY-QMMMGPOBSA-N -1 0 309.351 -0.247 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@]1(C)CCC(=O)NC1 ZINC000798854219 804803201 /nfs/dbraw/zinc/80/32/01/804803201.db2.gz ONJOVYAPCCSUDD-GFCCVEGCSA-N -1 0 306.384 -0.225 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@H](OC)c1cnn(C)c1 ZINC000798854567 804803298 /nfs/dbraw/zinc/80/32/98/804803298.db2.gz ZMTGJTVAYBPVAO-LLVKDONJSA-N -1 0 319.383 -0.020 20 0 DBADRM O=C(C=C1CCC1)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001284961238 804810898 /nfs/dbraw/zinc/81/08/98/804810898.db2.gz YDNHWWNCXXNLDU-UHFFFAOYSA-N -1 0 321.337 -0.626 20 0 DBADRM CC[C@@H]1C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCO1 ZINC000800550089 804825195 /nfs/dbraw/zinc/82/51/95/804825195.db2.gz BUBPEKFNKQMRFB-NXEZZACHSA-N -1 0 306.384 -0.226 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccncc1Cl ZINC000800549839 804825438 /nfs/dbraw/zinc/82/54/38/804825438.db2.gz OMLOIDUPVXZUGX-UHFFFAOYSA-N -1 0 305.743 -0.069 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cn2ccnc2s1 ZINC000800549618 804825514 /nfs/dbraw/zinc/82/55/14/804825514.db2.gz NKZRKGQMKKJMKE-UHFFFAOYSA-N -1 0 316.364 -0.409 20 0 DBADRM CC1(C)OCC(C)(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CO1 ZINC000800551440 804825741 /nfs/dbraw/zinc/82/57/41/804825741.db2.gz FVIWJTIRKJPAKC-UHFFFAOYSA-N -1 0 322.383 -0.642 20 0 DBADRM CCc1noc(C)c1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800551908 804826130 /nfs/dbraw/zinc/82/61/30/804826130.db2.gz WFFCDIUCMIDAJT-UHFFFAOYSA-N -1 0 303.340 -0.259 20 0 DBADRM COc1cc(C)cnc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800554043 804826443 /nfs/dbraw/zinc/82/64/43/804826443.db2.gz WHRUGCAXKIVOOX-UHFFFAOYSA-N -1 0 315.351 -0.406 20 0 DBADRM COc1ccc(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)nc1 ZINC000800553786 804826602 /nfs/dbraw/zinc/82/66/02/804826602.db2.gz SWBSAFOKYZRGCP-UHFFFAOYSA-N -1 0 315.351 -0.785 20 0 DBADRM Cc1cc(COCC(=O)[N-]S(=O)(=O)N2CCCC2)on1 ZINC000802052159 804841197 /nfs/dbraw/zinc/84/11/97/804841197.db2.gz LIZJNXTYTIFJTC-UHFFFAOYSA-N -1 0 303.340 -0.044 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccnc2c1nnn2C ZINC000802074856 804841447 /nfs/dbraw/zinc/84/14/47/804841447.db2.gz AWYFBTLNHLOFKC-UHFFFAOYSA-N -1 0 312.355 -0.322 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)COCc1cc(C)no1 ZINC000802080104 804841650 /nfs/dbraw/zinc/84/16/50/804841650.db2.gz NYPBYLPSVNINCP-UHFFFAOYSA-N -1 0 306.340 -0.018 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccnc2c1nnn2C ZINC000802079968 804841969 /nfs/dbraw/zinc/84/19/69/804841969.db2.gz JDDQUPNZZNJBRD-UHFFFAOYSA-N -1 0 313.339 -0.541 20 0 DBADRM CCCc1nc(C(=O)[N-]S(=O)(=O)N2CCOCC2)co1 ZINC000802094882 804842298 /nfs/dbraw/zinc/84/22/98/804842298.db2.gz INCNYRGWZOMOFT-UHFFFAOYSA-N -1 0 303.340 -0.066 20 0 DBADRM Cn1nnc2c1nccc2C(=O)[N-]S(=O)(=O)CCCF ZINC000802098979 804842404 /nfs/dbraw/zinc/84/24/04/804842404.db2.gz IMOXMDMWZYNHNJ-UHFFFAOYSA-N -1 0 301.303 -0.218 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCNC(=O)C1 ZINC000802159408 804842799 /nfs/dbraw/zinc/84/27/99/804842799.db2.gz BYJOTMQSQHMHIV-IWSPIJDZSA-N -1 0 320.367 -0.844 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)nc1C ZINC000802124546 804842866 /nfs/dbraw/zinc/84/28/66/804842866.db2.gz DKFXFOASHNSRHI-UHFFFAOYSA-N -1 0 312.355 -0.302 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CN(C)C(C)=O ZINC000802154408 804842927 /nfs/dbraw/zinc/84/29/27/804842927.db2.gz HODITFSRZXPWIH-SFYZADRCSA-N -1 0 308.356 -0.892 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1 ZINC000802168506 804843274 /nfs/dbraw/zinc/84/32/74/804843274.db2.gz VMLWRUYQKFEWFM-DTWKUNHWSA-N -1 0 317.367 -0.394 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1nnn(C)c1C ZINC000802167725 804843532 /nfs/dbraw/zinc/84/35/32/804843532.db2.gz PQWQNDNFPACMAF-POYBYMJQSA-N -1 0 318.355 -0.619 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C ZINC000802165019 804843575 /nfs/dbraw/zinc/84/35/75/804843575.db2.gz CDEXCSQXEDCZRB-HLTSFMKQSA-N -1 0 320.367 -0.749 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1 ZINC000802168507 804843841 /nfs/dbraw/zinc/84/38/41/804843841.db2.gz VMLWRUYQKFEWFM-IUCAKERBSA-N -1 0 317.367 -0.394 20 0 DBADRM CN(C)c1cccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000802713517 804847533 /nfs/dbraw/zinc/84/75/33/804847533.db2.gz NGZSJPVIXGJWCD-PWSUYJOCSA-N -1 0 314.363 -0.039 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CC1OCCO1 ZINC000802766500 804847828 /nfs/dbraw/zinc/84/78/28/804847828.db2.gz DSKPMPRIIWPAMO-SFYZADRCSA-N -1 0 309.340 -0.607 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H](C)CN1CCCC1=O ZINC000803118647 804850082 /nfs/dbraw/zinc/85/00/82/804850082.db2.gz YGBUGDLRDKNMSE-JTQLQIEISA-N -1 0 301.343 -0.802 20 0 DBADRM COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)[N-]OCCSC ZINC000804354178 804868564 /nfs/dbraw/zinc/86/85/64/804868564.db2.gz IEKDQHBYHFFEGP-LLVKDONJSA-N -1 0 319.427 -0.376 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000804363315 804868949 /nfs/dbraw/zinc/86/89/49/804868949.db2.gz ZHSQFFZXQIFPCG-SECBINFHSA-N -1 0 313.383 -0.572 20 0 DBADRM COc1ccccc1CO[N-]C(=O)C(=O)NCC[S@](C)=O ZINC000805004057 804881626 /nfs/dbraw/zinc/88/16/26/804881626.db2.gz KDELGBAVSMPCMK-NRFANRHFSA-N -1 0 314.363 -0.262 20 0 DBADRM Cc1cc(C(=O)NCc2cnn(C)n2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000805215592 804887504 /nfs/dbraw/zinc/88/75/04/804887504.db2.gz HWZMTBQRSQWRIE-UHFFFAOYSA-N -1 0 315.293 -0.197 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001285465471 804889448 /nfs/dbraw/zinc/88/94/48/804889448.db2.gz LTTWTTXZCGKONB-ZCMHJKFASA-N -1 0 307.310 -0.659 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001285469275 804891304 /nfs/dbraw/zinc/89/13/04/804891304.db2.gz UKPCMIFOAXDCKR-MOVJSRMASA-N -1 0 323.353 -0.649 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CO[C@@H](C)c1nccn1C ZINC000805930739 804905200 /nfs/dbraw/zinc/90/52/00/804905200.db2.gz YUIBJNPKBPIOMB-ZJUUUORDSA-N -1 0 319.383 -0.021 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CO[C@H](C)c1nccn1C ZINC000805930736 804905251 /nfs/dbraw/zinc/90/52/51/804905251.db2.gz YUIBJNPKBPIOMB-NXEZZACHSA-N -1 0 319.383 -0.021 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)Cc1ccc(F)cn1 ZINC000805898222 804905319 /nfs/dbraw/zinc/90/53/19/804905319.db2.gz DKXPAGMWSFOCGA-UHFFFAOYSA-N -1 0 320.342 -0.128 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CO[C@H](C)c1nccn1C ZINC000805881666 804905326 /nfs/dbraw/zinc/90/53/26/804905326.db2.gz FNHYWXRHJDBUNZ-NXEZZACHSA-N -1 0 319.383 -0.021 20 0 DBADRM C[C@H](OCC(=O)[N-]S(=O)(=O)c1cc[nH]n1)c1nccn1C ZINC000805925735 804905343 /nfs/dbraw/zinc/90/53/43/804905343.db2.gz QONTVLPWGIFRTN-QMMMGPOBSA-N -1 0 313.339 -0.274 20 0 DBADRM O=C(COCc1cccnc1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000805881943 804905404 /nfs/dbraw/zinc/90/54/04/804905404.db2.gz MPXLASRLBKSOJC-NSHDSACASA-N -1 0 300.336 -0.167 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CNC2=O)CC1 ZINC000806028143 804909074 /nfs/dbraw/zinc/90/90/74/804909074.db2.gz DURWNVXZKNMROE-UHFFFAOYSA-N -1 0 303.340 -0.683 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000806178102 804910828 /nfs/dbraw/zinc/91/08/28/804910828.db2.gz OTNYKAFAOIPHBY-QWRGUYRKSA-N -1 0 315.370 -0.556 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000806178101 804910903 /nfs/dbraw/zinc/91/09/03/804910903.db2.gz OTNYKAFAOIPHBY-MNOVXSKESA-N -1 0 315.370 -0.556 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000806263621 804913225 /nfs/dbraw/zinc/91/32/25/804913225.db2.gz RJFREJRQALWMDJ-UHFFFAOYSA-N -1 0 315.370 -0.555 20 0 DBADRM CC[C@@]1(C)NC(=O)N(NC(=O)CSc2n[nH]c(=O)[n-]2)C1=O ZINC000806309032 804913376 /nfs/dbraw/zinc/91/33/76/804913376.db2.gz MDUFJQJEXLUJTJ-SNVBAGLBSA-N -1 0 314.327 -0.646 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCc1cn2cccc(C)c2n1 ZINC000806536016 804919417 /nfs/dbraw/zinc/91/94/17/804919417.db2.gz FIIYNFLHYDUPQU-UHFFFAOYSA-N -1 0 320.349 -0.004 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000806684226 804921724 /nfs/dbraw/zinc/92/17/24/804921724.db2.gz GDMJEINZLHCFPA-SNVBAGLBSA-N -1 0 302.327 -0.518 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1csc(N(C)C)n1 ZINC000806660749 804921996 /nfs/dbraw/zinc/92/19/96/804921996.db2.gz LZOPYGDKOQJVCM-UHFFFAOYSA-N -1 0 302.356 -0.481 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000806993581 804928075 /nfs/dbraw/zinc/92/80/75/804928075.db2.gz CIXRWUYTCUNTQP-YFKPBYRVSA-N -1 0 307.232 -0.320 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1cccc2c1CNC2=O ZINC000806984793 804928272 /nfs/dbraw/zinc/92/82/72/804928272.db2.gz VMBQIBOSASDLGB-UHFFFAOYSA-N -1 0 307.306 -0.047 20 0 DBADRM COC(=O)c1c(C)csc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000807028088 804929450 /nfs/dbraw/zinc/92/94/50/804929450.db2.gz SXHVBYDVJRMWPG-UHFFFAOYSA-N -1 0 315.307 -0.685 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)C(=O)[N-]O[C@@H]3CCCCO3)ccnc1-2 ZINC000807028264 804929513 /nfs/dbraw/zinc/92/95/13/804929513.db2.gz WUMGDQZSNIVLMX-LLVKDONJSA-N -1 0 319.321 -0.145 20 0 DBADRM COc1nn(C)cc1C(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000883967528 807030865 /nfs/dbraw/zinc/03/08/65/807030865.db2.gz SUVXCJHDRSUVSC-QMMMGPOBSA-N -1 0 309.355 -0.128 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000807435633 804935778 /nfs/dbraw/zinc/93/57/78/804935778.db2.gz VZRHBCUVCKAHHR-UHFFFAOYSA-N -1 0 320.309 -0.315 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000807638001 804939676 /nfs/dbraw/zinc/93/96/76/804939676.db2.gz CWUPBNMNBMBASC-SECBINFHSA-N -1 0 312.370 -0.222 20 0 DBADRM O=C(NCc1ccncc1OC[C@@H]1CCOC1)c1cc(=O)[nH][n-]1 ZINC000807895746 804941337 /nfs/dbraw/zinc/94/13/37/804941337.db2.gz NBZZTZKXMJLUHB-SNVBAGLBSA-N -1 0 318.333 -0.011 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@]2(C)CCNC2=O)c1[O-] ZINC001285695880 804946349 /nfs/dbraw/zinc/94/63/49/804946349.db2.gz BIYCIODAILNKSU-NXSYQRQQSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@@]2(C)CCNC2=O)c1[O-] ZINC001285695881 804946620 /nfs/dbraw/zinc/94/66/20/804946620.db2.gz BIYCIODAILNKSU-UOWDBTKRSA-N -1 0 323.353 -0.816 20 0 DBADRM CCn1cncc1S(=O)(=O)[N-]N1C(=O)N[C@@](C)(CC)C1=O ZINC000808310792 804958264 /nfs/dbraw/zinc/95/82/64/804958264.db2.gz YRBNKCHENWLGEZ-NSHDSACASA-N -1 0 315.355 -0.183 20 0 DBADRM Cn1ccc(S(=O)(=O)N=c2nc(C(F)(F)F)[n-]n2C)n1 ZINC000808553690 804961727 /nfs/dbraw/zinc/96/17/27/804961727.db2.gz PYYVDJHJJHBEEF-UHFFFAOYSA-N -1 0 310.261 -0.210 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]c2cnnn2C)cc1C(N)=O ZINC000808565378 804961885 /nfs/dbraw/zinc/96/18/85/804961885.db2.gz YFJDAEWRPRHMMY-UHFFFAOYSA-N -1 0 311.323 -0.277 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cn(C)nn2)c1 ZINC000808984833 804966243 /nfs/dbraw/zinc/96/62/43/804966243.db2.gz NVDABWUEIYELCS-UHFFFAOYSA-N -1 0 324.318 -0.280 20 0 DBADRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)nn2)cc1 ZINC000808976922 804966330 /nfs/dbraw/zinc/96/63/30/804966330.db2.gz KBRLWLZRRHJKOG-UHFFFAOYSA-N -1 0 323.334 -0.108 20 0 DBADRM CCc1ncc(NC(=O)C(=O)[N-]OCCCC(=O)OC)cn1 ZINC000808965117 804966427 /nfs/dbraw/zinc/96/64/27/804966427.db2.gz CFZTUZLWFZIYAC-UHFFFAOYSA-N -1 0 310.310 -0.022 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)COC3)nn1 ZINC000808997568 804967711 /nfs/dbraw/zinc/96/77/11/804967711.db2.gz YUGCQCJAXPUHHY-UHFFFAOYSA-N -1 0 308.319 -0.036 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)c1cn(C)nn1 ZINC000809013993 804967904 /nfs/dbraw/zinc/96/79/04/804967904.db2.gz HABMIOZPGVEROX-UHFFFAOYSA-N -1 0 315.380 -0.118 20 0 DBADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)c2cn(C)nc2C)no1 ZINC000809034440 804969196 /nfs/dbraw/zinc/96/91/96/804969196.db2.gz FTSANPZFHDHBPF-UHFFFAOYSA-N -1 0 314.323 -0.091 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C(=O)[N-]OC2CCOCC2)C[N@@H+]1C1CC1 ZINC000809363186 804975709 /nfs/dbraw/zinc/97/57/09/804975709.db2.gz MNQBDRSNLUZCTN-WDEREUQCSA-N -1 0 311.382 -0.045 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1C[C@H](C)OC1=O ZINC000809382446 804976938 /nfs/dbraw/zinc/97/69/38/804976938.db2.gz ITJHGQQIYCUBHS-NTSWFWBYSA-N -1 0 320.348 -0.088 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000809441063 804976960 /nfs/dbraw/zinc/97/69/60/804976960.db2.gz PRQHPWSISPFTFX-UWVGGRQHSA-N -1 0 305.400 -0.768 20 0 DBADRM COC[C@H](NC(=O)C(=O)[N-]OCCSC)[C@@H]1CCCO1 ZINC000809453939 804977792 /nfs/dbraw/zinc/97/77/92/804977792.db2.gz UDYPYMBZQOFFLN-UWVGGRQHSA-N -1 0 306.384 -0.293 20 0 DBADRM CCNC(=O)C1(CNC(=O)C(=O)[N-]OCCOCC)CCC1 ZINC000809727815 804979814 /nfs/dbraw/zinc/97/98/14/804979814.db2.gz XXSWRYQUOGDDQQ-UHFFFAOYSA-N -1 0 315.370 -0.507 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000810077596 804988779 /nfs/dbraw/zinc/98/87/79/804988779.db2.gz ZWLJENHYEYFONE-UHFFFAOYSA-N -1 0 307.719 -0.729 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)NCc1ccon1 ZINC000810467738 804995432 /nfs/dbraw/zinc/99/54/32/804995432.db2.gz AATWHLNCHCKXGV-UHFFFAOYSA-N -1 0 314.323 -0.126 20 0 DBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)n1 ZINC000810515950 804995716 /nfs/dbraw/zinc/99/57/16/804995716.db2.gz AEPAYYLEOWRFJI-UHFFFAOYSA-N -1 0 324.318 -0.295 20 0 DBADRM CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000810667970 804996611 /nfs/dbraw/zinc/99/66/11/804996611.db2.gz JWWJHPDPPZTEDP-UHFFFAOYSA-N -1 0 314.319 -0.592 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)C1(COC)CCOCC1 ZINC000810585269 804996974 /nfs/dbraw/zinc/99/69/74/804996974.db2.gz PUZMRSVTHQDXEC-SNVBAGLBSA-N -1 0 309.384 -0.090 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CCCCC(N)=O)cn1 ZINC000810719521 804998015 /nfs/dbraw/zinc/99/80/15/804998015.db2.gz NKTLIVCPFOYTKF-UHFFFAOYSA-N -1 0 315.351 -0.059 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2c(C)onc2N)CC1 ZINC000810828271 805000513 /nfs/dbraw/zinc/00/05/13/805000513.db2.gz MOXJORLMLQJHDP-UHFFFAOYSA-N -1 0 317.323 -0.287 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000810830521 805000666 /nfs/dbraw/zinc/00/06/66/805000666.db2.gz SKPPUWPPLSDTFI-YFKPBYRVSA-N -1 0 304.328 -0.715 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)Cn1cc(Cl)cn1 ZINC000810832581 805000818 /nfs/dbraw/zinc/00/08/18/805000818.db2.gz RATHLMKJDKRYKX-UHFFFAOYSA-N -1 0 319.730 -0.080 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cnc3n[nH]nc3c2)CC1 ZINC000811152839 805004727 /nfs/dbraw/zinc/00/47/27/805004727.db2.gz OUXCUOQUOMYBST-UHFFFAOYSA-N -1 0 311.323 -0.409 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)Cc1cnn(C)c1 ZINC000811141994 805005084 /nfs/dbraw/zinc/00/50/84/805005084.db2.gz UZLGLMVNCQDOQU-UHFFFAOYSA-N -1 0 317.367 -0.392 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1nnn(C)c1C ZINC000811136779 805005106 /nfs/dbraw/zinc/00/51/06/805005106.db2.gz KCIACBFIUDJAFV-UHFFFAOYSA-N -1 0 318.355 -0.618 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cnc(OC)nc2)CC1 ZINC000811152289 805005259 /nfs/dbraw/zinc/00/52/59/805005259.db2.gz URYRMFMKMHHZLA-UHFFFAOYSA-N -1 0 301.324 -0.276 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1ccnn1C ZINC000811142056 805005449 /nfs/dbraw/zinc/00/54/49/805005449.db2.gz WSNVLZZUEJLPDB-UHFFFAOYSA-N -1 0 303.340 -0.321 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@@H]1COCCO1 ZINC000811143607 805005459 /nfs/dbraw/zinc/00/54/59/805005459.db2.gz XMRKKAHOOMPVSW-QMMMGPOBSA-N -1 0 309.340 -0.953 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C)CC1 ZINC000811156584 805005747 /nfs/dbraw/zinc/00/57/47/805005747.db2.gz NZGZSEGTGGZMMS-UHFFFAOYSA-N -1 0 306.384 -0.226 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@H](OC)c2cnn(C)c2)CC1 ZINC000811160480 805006240 /nfs/dbraw/zinc/00/62/40/805006240.db2.gz JCWPNRZPBVPWHG-JTQLQIEISA-N -1 0 317.367 -0.267 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000811154995 805006339 /nfs/dbraw/zinc/00/63/39/805006339.db2.gz DYZGKEKVXHCODA-VHSXEESVSA-N -1 0 318.395 -0.097 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000811561671 805011462 /nfs/dbraw/zinc/01/14/62/805011462.db2.gz XGMQGDXTQQVELM-SECBINFHSA-N -1 0 308.356 -0.589 20 0 DBADRM CN(CCn1cc(Br)cn1)C(=O)c1cc(=O)[nH][n-]1 ZINC000811583413 805012626 /nfs/dbraw/zinc/01/26/26/805012626.db2.gz FGERBGMCPRPYSN-UHFFFAOYSA-N -1 0 314.143 -0.020 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(=O)[N-]OC/C=C\Cl)cn1 ZINC000812399538 805018391 /nfs/dbraw/zinc/01/83/91/805018391.db2.gz QYFNDYRXWWLCIL-IHWYPQMZSA-N -1 0 308.747 -0.501 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)[N-]OCCOC(C)C ZINC000813056297 805025106 /nfs/dbraw/zinc/02/51/06/805025106.db2.gz SCOGAPPHGIOWAQ-UHFFFAOYSA-N -1 0 300.315 -0.160 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cn1cc(Cl)cn1 ZINC000813534353 805029181 /nfs/dbraw/zinc/02/91/81/805029181.db2.gz QPNGMOWPKSACJW-UHFFFAOYSA-N -1 0 308.747 -0.881 20 0 DBADRM CSCCCC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813945303 805035778 /nfs/dbraw/zinc/03/57/78/805035778.db2.gz FXDREYWEXBVYLQ-UHFFFAOYSA-N -1 0 323.440 -0.345 20 0 DBADRM CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813946904 805036009 /nfs/dbraw/zinc/03/60/09/805036009.db2.gz RHTJRXGRHYZCBS-NSHDSACASA-N -1 0 321.399 -0.673 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C[C@H]2C=CCC2)CC1 ZINC000813943855 805036110 /nfs/dbraw/zinc/03/61/10/805036110.db2.gz HEGOCXYEZXVFTG-LBPRGKRZSA-N -1 0 315.395 -0.132 20 0 DBADRM CCC1(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000813948028 805036638 /nfs/dbraw/zinc/03/66/38/805036638.db2.gz BUEPIKIGDHOFAN-UHFFFAOYSA-N -1 0 303.384 -0.298 20 0 DBADRM CCC[C@H](C)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813949944 805037063 /nfs/dbraw/zinc/03/70/63/805037063.db2.gz GJRJLDOHELOACD-JTQLQIEISA-N -1 0 305.400 -0.052 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2nccs2)CC1 ZINC000813948800 805037154 /nfs/dbraw/zinc/03/71/54/805037154.db2.gz LJQSYDAUJQUSIX-UHFFFAOYSA-N -1 0 318.380 -0.718 20 0 DBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000813985800 805037914 /nfs/dbraw/zinc/03/79/14/805037914.db2.gz PQQCMXPTKIVRCS-JTQLQIEISA-N -1 0 319.383 -0.025 20 0 DBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000813954389 805038152 /nfs/dbraw/zinc/03/81/52/805038152.db2.gz YOBRTBPOIIQFBP-UHFFFAOYSA-N -1 0 305.356 -0.413 20 0 DBADRM COc1cc(NC(=O)C(=O)[N-]OCC(N)=O)cc(OC)c1C ZINC000815614162 805057438 /nfs/dbraw/zinc/05/74/38/805057438.db2.gz HRQARFRDAXAAEY-UHFFFAOYSA-N -1 0 311.294 -0.516 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)C(C)C)nnn1-c1ccn(C)n1 ZINC000815926343 805061612 /nfs/dbraw/zinc/06/16/12/805061612.db2.gz LIRLXBUYSXRPKE-UHFFFAOYSA-N -1 0 312.355 -0.223 20 0 DBADRM O=C(C[C@H]1CCCS(=O)(=O)C1)[N-]S(=O)(=O)N1CCCC1 ZINC000815919486 805061655 /nfs/dbraw/zinc/06/16/55/805061655.db2.gz AWZOOADTGQBONZ-SNVBAGLBSA-N -1 0 324.424 -0.342 20 0 DBADRM CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)[N-]OCC(N)=O ZINC000815938086 805061712 /nfs/dbraw/zinc/06/17/12/805061712.db2.gz QHFLRYBVWMDIHH-AWEZNQCLSA-N -1 0 323.349 -0.261 20 0 DBADRM CO[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000815962851 805062067 /nfs/dbraw/zinc/06/20/67/805062067.db2.gz DITJXXNUZFIODW-QWRGUYRKSA-N -1 0 306.384 -0.115 20 0 DBADRM COc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1Cl ZINC000816013928 805063173 /nfs/dbraw/zinc/06/31/73/805063173.db2.gz HMMCEWFCKPQVAV-UHFFFAOYSA-N -1 0 306.727 -0.107 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)c[nH]1 ZINC000815997261 805063308 /nfs/dbraw/zinc/06/33/08/805063308.db2.gz GZEGAUIDAIYORE-MRVPVSSYSA-N -1 0 316.335 -0.103 20 0 DBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)C2CCCC2)c1=O ZINC000815978495 805063653 /nfs/dbraw/zinc/06/36/53/805063653.db2.gz VXERYHIALDRBAF-UHFFFAOYSA-N -1 0 302.356 -0.640 20 0 DBADRM COc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000816014247 805064853 /nfs/dbraw/zinc/06/48/53/805064853.db2.gz SALJZCAYMOZCGF-UHFFFAOYSA-N -1 0 306.727 -0.107 20 0 DBADRM CC/C=C/CCN1CC(O)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001325236281 807053961 /nfs/dbraw/zinc/05/39/61/807053961.db2.gz KXRVUFYWXGPLQF-ONEGZZNKSA-N -1 0 323.353 -0.584 20 0 DBADRM Cc1cncc(CCC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000816449092 805070634 /nfs/dbraw/zinc/07/06/34/805070634.db2.gz RMFKYCAUPGVQRU-UHFFFAOYSA-N -1 0 313.379 -0.095 20 0 DBADRM CO[C@@H]1CCCC[C@@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000816450107 805071151 /nfs/dbraw/zinc/07/11/51/805071151.db2.gz NHHDVTRJAQCSRH-VHSXEESVSA-N -1 0 306.384 -0.226 20 0 DBADRM C[C@H](CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001287281379 805071673 /nfs/dbraw/zinc/07/16/73/805071673.db2.gz JCLGJQOEOXUOSL-IWSPIJDZSA-N -1 0 323.353 -0.047 20 0 DBADRM Cn1cnc(-c2ccc(C(=O)Nn3c(=O)[n-][nH]c3=O)cc2)n1 ZINC000816733302 805079997 /nfs/dbraw/zinc/07/99/97/805079997.db2.gz PYSQCLDHDIECRO-UHFFFAOYSA-N -1 0 301.266 -0.131 20 0 DBADRM CS(=O)(=O)CC[C@H]1CCCCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000816807547 805083384 /nfs/dbraw/zinc/08/33/84/805083384.db2.gz KREPJMIYUJPRBG-SECBINFHSA-N -1 0 301.368 -0.322 20 0 DBADRM CSCC[C@@H](C)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000817110509 805090911 /nfs/dbraw/zinc/09/09/11/805090911.db2.gz GOWYNIYILURQBW-BDAKNGLRSA-N -1 0 304.368 -0.444 20 0 DBADRM CC(C)(C)SCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000817107752 805090982 /nfs/dbraw/zinc/09/09/82/805090982.db2.gz GOWIQGMKQSGBJP-SECBINFHSA-N -1 0 318.395 -0.054 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000817873491 805102606 /nfs/dbraw/zinc/10/26/06/805102606.db2.gz CBSINSIVNNVXPR-MRVPVSSYSA-N -1 0 311.354 -0.147 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](C(F)F)C2)C1 ZINC000817900606 805103685 /nfs/dbraw/zinc/10/36/85/805103685.db2.gz OMOMHTAWKKYLPW-OQPBUACISA-N -1 0 320.292 -0.198 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H](C)NS(C)(=O)=O ZINC000818309081 805110061 /nfs/dbraw/zinc/11/00/61/805110061.db2.gz NEOQBZVKIBWTRH-LDYMZIIASA-N -1 0 308.356 -0.984 20 0 DBADRM C[C@@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C(=O)[O-] ZINC000818325493 805111489 /nfs/dbraw/zinc/11/14/89/805111489.db2.gz MAXWOPOPCZMTKP-PSASIEDQSA-N -1 0 309.322 -0.591 20 0 DBADRM CC(C)[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])CCS1 ZINC000884474851 807051161 /nfs/dbraw/zinc/05/11/61/807051161.db2.gz OFOISTDJSCBDAX-JTQLQIEISA-N -1 0 318.395 -0.196 20 0 DBADRM CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)NCCOCC(=O)[O-] ZINC000884476695 807051270 /nfs/dbraw/zinc/05/12/70/807051270.db2.gz YDDXILMRXGGILO-LLVKDONJSA-N -1 0 315.370 -0.998 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)C1 ZINC000884478324 807051553 /nfs/dbraw/zinc/05/15/53/807051553.db2.gz XXVJFYNDQPIFOE-KQAFNVIJSA-N -1 0 322.361 -0.151 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)C(=O)[O-] ZINC000884478179 807051823 /nfs/dbraw/zinc/05/18/23/807051823.db2.gz SQIVDVIVKCIWCA-QAWJZHMJSA-N -1 0 310.350 -0.295 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NC[C@@H]1COC(C)(C)O1)C(=O)[O-] ZINC000818658123 805116265 /nfs/dbraw/zinc/11/62/65/805116265.db2.gz RFUZZUAKNPJIAP-SECBINFHSA-N -1 0 316.354 -0.129 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000818658406 805116862 /nfs/dbraw/zinc/11/68/62/805116862.db2.gz XBUBGTDYCTVFPV-NSHDSACASA-N -1 0 323.353 -0.187 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCC(CCF)CC1 ZINC000884478135 807052015 /nfs/dbraw/zinc/05/20/15/807052015.db2.gz RKNRZUIJYYYUQQ-UHFFFAOYSA-N -1 0 304.318 -0.198 20 0 DBADRM CC[C@@H]1CN(C)CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000818977935 805117587 /nfs/dbraw/zinc/11/75/87/805117587.db2.gz OZYFYNWOVAFRJD-SNVBAGLBSA-N -1 0 304.354 -0.376 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)c1 ZINC000819094625 805120860 /nfs/dbraw/zinc/12/08/60/805120860.db2.gz NZRTWLUBAMGZDQ-LLVKDONJSA-N -1 0 301.324 -0.818 20 0 DBADRM CCOc1ccc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)cn1 ZINC000819093990 805120875 /nfs/dbraw/zinc/12/08/75/805120875.db2.gz DTGVZKFACBGFIB-GFCCVEGCSA-N -1 0 316.335 -0.310 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2cn3c(n2)CCCC3)C1 ZINC000819095078 805121409 /nfs/dbraw/zinc/12/14/09/805121409.db2.gz SYUKVFUJJQLHMB-GFCCVEGCSA-N -1 0 315.351 -0.571 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000819094784 805121431 /nfs/dbraw/zinc/12/14/31/805121431.db2.gz MDPQWCHDPJTONN-NSHDSACASA-N -1 0 313.291 -0.567 20 0 DBADRM C[C@H]1OCCN(S(=O)(=O)CC[C@@H]2CCOC2)[C@@H]1C(=O)[O-] ZINC000819108986 805122303 /nfs/dbraw/zinc/12/23/03/805122303.db2.gz RGSKTLAAOFVDGP-VWYCJHECSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@H]1OCCN(S(=O)(=O)c2c[nH]nc2Cl)[C@@H]1C(=O)[O-] ZINC000819109437 805122947 /nfs/dbraw/zinc/12/29/47/805122947.db2.gz WMFVDTZHFFJARA-VDTYLAMSSA-N -1 0 309.731 -0.074 20 0 DBADRM O=C(c1cc2c(cn1)OCCO2)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000819255445 805126116 /nfs/dbraw/zinc/12/61/16/805126116.db2.gz AINVXHZINYBMBQ-NSHDSACASA-N -1 0 318.293 -0.420 20 0 DBADRM O=C([C@@H](O)Cc1ccccc1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000819620683 805132860 /nfs/dbraw/zinc/13/28/60/805132860.db2.gz QDAOHOHOSAKMGP-LBPRGKRZSA-N -1 0 317.349 -0.387 20 0 DBADRM CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(=O)[nH][n-]1 ZINC000819742745 805134302 /nfs/dbraw/zinc/13/43/02/805134302.db2.gz WSHZFORLPZDCSF-CYBMUJFWSA-N -1 0 314.345 -0.048 20 0 DBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000820288819 805151944 /nfs/dbraw/zinc/15/19/44/805151944.db2.gz PRAFFOZUYZRCTM-BYPYZUCNSA-N -1 0 312.315 -0.738 20 0 DBADRM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000820282014 805152007 /nfs/dbraw/zinc/15/20/07/805152007.db2.gz HREDJRZIGHJKLF-LURJTMIESA-N -1 0 315.355 -0.293 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000820289212 805152052 /nfs/dbraw/zinc/15/20/52/805152052.db2.gz UHQYVCUGNFCEIX-DMTCNVIQSA-N -1 0 309.204 -0.784 20 0 DBADRM CCCCC(=O)N1CSC[C@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000820292064 805153281 /nfs/dbraw/zinc/15/32/81/805153281.db2.gz OJCFYXJUVKAJEF-ZETCQYMHSA-N -1 0 315.355 -0.149 20 0 DBADRM Cc1ccc(CNC(=O)NCC(=O)Nn2c(=O)[n-][nH]c2=O)cc1 ZINC000820289575 805153313 /nfs/dbraw/zinc/15/33/13/805153313.db2.gz YILVJTIMAKQNPS-UHFFFAOYSA-N -1 0 320.309 -0.433 20 0 DBADRM COCCO[N-]C(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000820613427 805160531 /nfs/dbraw/zinc/16/05/31/805160531.db2.gz CIMIMNPIUCGELW-BQBZGAKWSA-N -1 0 305.274 -0.096 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@H](C)n1cccn1 ZINC000820606622 805161377 /nfs/dbraw/zinc/16/13/77/805161377.db2.gz RYLQMUNVWAKTLX-DTWKUNHWSA-N -1 0 303.340 -0.158 20 0 DBADRM NC(=O)C1([N-]C(=O)C(F)(F)C(F)F)CCS(=O)(=O)CC1 ZINC001288070536 805161579 /nfs/dbraw/zinc/16/15/79/805161579.db2.gz GFGOHZWPXNKADG-UHFFFAOYSA-N -1 0 320.264 -0.564 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc2c(cn1)OCCO2 ZINC000820864686 805168846 /nfs/dbraw/zinc/16/88/46/805168846.db2.gz FNQSFEADHWAMNF-MRVPVSSYSA-N -1 0 316.335 -0.053 20 0 DBADRM CC(C)(C)C[C@@H](O)[C@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000821249528 805176586 /nfs/dbraw/zinc/17/65/86/805176586.db2.gz OTYOIRCTDFCVBP-ZJUUUORDSA-N -1 0 324.399 -0.597 20 0 DBADRM CC(C)(C)C[C@@H](O)[C@@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000821249525 805176698 /nfs/dbraw/zinc/17/66/98/805176698.db2.gz OTYOIRCTDFCVBP-NXEZZACHSA-N -1 0 324.399 -0.597 20 0 DBADRM CC(C)(C)C[C@H](O)[C@@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000821249527 805176827 /nfs/dbraw/zinc/17/68/27/805176827.db2.gz OTYOIRCTDFCVBP-VHSXEESVSA-N -1 0 324.399 -0.597 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000821627823 805186628 /nfs/dbraw/zinc/18/66/28/805186628.db2.gz PILWJWHFHBIJON-MRVPVSSYSA-N -1 0 301.299 -0.354 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H]1CSCCS1 ZINC000821597282 805186708 /nfs/dbraw/zinc/18/67/08/805186708.db2.gz NCNWVEXQSLGZMR-SSDOTTSWSA-N -1 0 313.422 -0.156 20 0 DBADRM COc1ccncc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821903192 805192712 /nfs/dbraw/zinc/19/27/12/805192712.db2.gz CXCRSOFXUXUILP-UHFFFAOYSA-N -1 0 301.270 -0.500 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)C(=O)c1ccccc1OC ZINC001289018553 805207055 /nfs/dbraw/zinc/20/70/55/805207055.db2.gz NRKMIDPXCCEYEC-UHFFFAOYSA-N -1 0 305.294 -0.429 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCO[C@@H]([C@H](C)O)C2)cc1=O ZINC000822847782 805215507 /nfs/dbraw/zinc/21/55/07/805215507.db2.gz QGGBAZNJRIWASO-WCQYABFASA-N -1 0 311.382 -0.017 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC001289429797 805220414 /nfs/dbraw/zinc/22/04/14/805220414.db2.gz JQFKUIUYHZDYHI-UHFFFAOYSA-N -1 0 319.317 -0.143 20 0 DBADRM CC(C)OCCO[N-]C(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC000823077134 805223208 /nfs/dbraw/zinc/22/32/08/805223208.db2.gz QSECVHHRHNVSIH-RYUDHWBXSA-N -1 0 310.354 -0.111 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823575706 805235002 /nfs/dbraw/zinc/23/50/02/805235002.db2.gz XGTRXIHTKCFXRS-NEPJUHHUSA-N -1 0 313.354 -0.118 20 0 DBADRM CC(C)[C@H](O)C1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000824200411 805250714 /nfs/dbraw/zinc/25/07/14/805250714.db2.gz QLAQEVCTFJWMCH-JTQLQIEISA-N -1 0 320.357 -0.629 20 0 DBADRM NC(=O)CNC(=O)c1cnc(I)c([O-])c1 ZINC001290650895 805253169 /nfs/dbraw/zinc/25/31/69/805253169.db2.gz FQZMDCOGOZZZDY-UHFFFAOYSA-N -1 0 321.074 -0.393 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC001292415756 805271544 /nfs/dbraw/zinc/27/15/44/805271544.db2.gz JOTHZOCLZDOKAN-VIFPVBQESA-N -1 0 315.289 -0.958 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001292466023 805274852 /nfs/dbraw/zinc/27/48/52/805274852.db2.gz FLGKBSFXDNRUIT-IUCAKERBSA-N -1 0 311.342 -0.642 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001292571242 805296414 /nfs/dbraw/zinc/29/64/14/805296414.db2.gz WLPTWYNWYJVOPK-JGVFFNPUSA-N -1 0 310.310 -0.921 20 0 DBADRM COc1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1O ZINC000826216645 805302355 /nfs/dbraw/zinc/30/23/55/805302355.db2.gz IHQPUMSTSRLFMG-UHFFFAOYSA-N -1 0 316.281 -0.189 20 0 DBADRM COc1n[nH]c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)n1 ZINC000826221749 805303564 /nfs/dbraw/zinc/30/35/64/805303564.db2.gz SSMPWGZCEDLDMI-UHFFFAOYSA-N -1 0 323.298 -0.811 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2CCCOCC2)n(C)c1=O ZINC000826355805 805307180 /nfs/dbraw/zinc/30/71/80/805307180.db2.gz NRNWRICVKCVJFR-QMMMGPOBSA-N -1 0 321.341 -0.755 20 0 DBADRM CCC(=CC(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O)CC ZINC001292631491 805309383 /nfs/dbraw/zinc/30/93/83/805309383.db2.gz YBHPYMMHDNMSFR-UHFFFAOYSA-N -1 0 311.342 -0.332 20 0 DBADRM O=C([N-]N1CCCNC1=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000826444649 805310306 /nfs/dbraw/zinc/31/03/06/805310306.db2.gz OQMTUTSDVHDXHA-UHFFFAOYSA-N -1 0 322.716 -0.025 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC(CCCO)CC1 ZINC000826425125 805311262 /nfs/dbraw/zinc/31/12/62/805311262.db2.gz QOWSIXAEGQHHHP-UHFFFAOYSA-N -1 0 320.357 -0.531 20 0 DBADRM O=C(NCCNC(=O)[C@@H]1CC12CC2)c1c[n-]n2c1nccc2=O ZINC001292761296 805335649 /nfs/dbraw/zinc/33/56/49/805335649.db2.gz ZODGGANXILVYNV-JTQLQIEISA-N -1 0 315.333 -0.331 20 0 DBADRM C[C@@H](CNC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)[O-] ZINC000827497615 805340497 /nfs/dbraw/zinc/34/04/97/805340497.db2.gz RZFMSGQMZYDTOO-ZETCQYMHSA-N -1 0 304.324 -0.221 20 0 DBADRM C[C@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)CC[C@H]1C(=O)[O-] ZINC000827903343 805356087 /nfs/dbraw/zinc/35/60/87/805356087.db2.gz ZTCFOHQJVOINKB-WDEREUQCSA-N -1 0 322.365 -0.050 20 0 DBADRM O=C(C[C@@H]1CC=CCC1)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001293027362 805374506 /nfs/dbraw/zinc/37/45/06/805374506.db2.gz FCZFGWQVQNJHFK-SNVBAGLBSA-N -1 0 323.353 -0.332 20 0 DBADRM O=C(NC[C@@]12COCCN1C(=O)COC2)c1cccc(F)c1[O-] ZINC000828482042 805376128 /nfs/dbraw/zinc/37/61/28/805376128.db2.gz KZJBAXXSMJFGMB-HNNXBMFYSA-N -1 0 324.308 -0.111 20 0 DBADRM CNC(=O)CCOC1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000828537110 805376756 /nfs/dbraw/zinc/37/67/56/805376756.db2.gz APDVEJJOEFBGLE-UHFFFAOYSA-N -1 0 313.354 -0.070 20 0 DBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CN1CCS(=O)(=O)CC1 ZINC000828628385 805378987 /nfs/dbraw/zinc/37/89/87/805378987.db2.gz MDKBLNPQVGXQLF-LBPRGKRZSA-N -1 0 306.384 -0.524 20 0 DBADRM O=C([O-])C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCOC2)CCO1 ZINC000829896177 805404165 /nfs/dbraw/zinc/40/41/65/805404165.db2.gz LNUYIDXSFGUQBW-GHMZBOCLSA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])[C@]1(F)CCN(S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000829899728 805405001 /nfs/dbraw/zinc/40/50/01/805405001.db2.gz DHOFOEMARJPISQ-NSHDSACASA-N -1 0 319.314 -0.147 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)NCCO[C@@H]1CC1(F)F ZINC000829986769 805411002 /nfs/dbraw/zinc/41/10/02/805411002.db2.gz CVOWAYJJKRWFRH-SECBINFHSA-N -1 0 308.281 -0.246 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cn1 ZINC000830062830 805419161 /nfs/dbraw/zinc/41/91/61/805419161.db2.gz MIGPPCRZOWXEJP-JOYOIKCWSA-N -1 0 315.351 -0.468 20 0 DBADRM O=C([O-])C[C@]1(NS(=O)(=O)C[C@@H]2CCCOC2)CCOC1 ZINC000830098199 805420315 /nfs/dbraw/zinc/42/03/15/805420315.db2.gz PVJPGSJKNGQBBM-ZYHUDNBSSA-N -1 0 307.368 -0.034 20 0 DBADRM CC(F)(F)CC(=O)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001293472573 805426004 /nfs/dbraw/zinc/42/60/04/805426004.db2.gz IDQDOAKOYFEILV-UHFFFAOYSA-N -1 0 321.284 -0.643 20 0 DBADRM Cn1[n-]c(C(=O)N2CCCC[C@@H]2CS(N)(=O)=O)cc1=O ZINC000830565163 805437098 /nfs/dbraw/zinc/43/70/98/805437098.db2.gz KNWFJOPVTQCGGX-MRVPVSSYSA-N -1 0 302.356 -0.591 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C[C@@H]2CC(=O)N2)C1 ZINC000830794882 805440597 /nfs/dbraw/zinc/44/05/97/805440597.db2.gz DUWYWDVIZPEHEY-WRWORJQWSA-N -1 0 307.272 -0.066 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000830801531 805440744 /nfs/dbraw/zinc/44/07/44/805440744.db2.gz LXIJDVKVCTUNLY-LDWIPMOCSA-N -1 0 309.244 -0.236 20 0 DBADRM CC1(CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])OCCO1 ZINC000830820812 805441281 /nfs/dbraw/zinc/44/12/81/805441281.db2.gz JYCXIDSJAGMSMD-UHFFFAOYSA-N -1 0 316.335 -0.468 20 0 DBADRM C[C@@H]1CCN(C(=O)NC[C@H]2CC(C(N)=O)=NO2)C[C@H]1C(=O)[O-] ZINC000831038092 805444685 /nfs/dbraw/zinc/44/46/85/805444685.db2.gz CWWFUXKQYBSKFH-IWSPIJDZSA-N -1 0 312.326 -0.631 20 0 DBADRM COC(=O)[C@@]1(F)CCN(CC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000831092856 805445746 /nfs/dbraw/zinc/44/57/46/805445746.db2.gz BUEMWGMPUHUJNB-CQSZACIVSA-N -1 0 316.329 -0.103 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000831574560 805458511 /nfs/dbraw/zinc/45/85/11/805458511.db2.gz WSRAGXALUKYHMG-MNOVXSKESA-N -1 0 311.338 -0.365 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@@H](O)C1CCOCC1 ZINC000831622479 805459885 /nfs/dbraw/zinc/45/98/85/805459885.db2.gz VHLUMEDFAHDGPT-WDEREUQCSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001294124217 805466773 /nfs/dbraw/zinc/46/67/73/805466773.db2.gz VTGAMONUYCOQMU-ZETCQYMHSA-N -1 0 317.261 -0.695 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N2CC[C@H](CCO)C2)CC1 ZINC000832036387 805470560 /nfs/dbraw/zinc/47/05/60/805470560.db2.gz IZXPTZFKZZJSTO-GFCCVEGCSA-N -1 0 314.386 -0.304 20 0 DBADRM COc1cc2nc(C(=O)[N-]OCCO)c(=O)n(C)c2cc1OC ZINC000832406238 805480140 /nfs/dbraw/zinc/48/01/40/805480140.db2.gz UPWRWAFPVVQJNY-UHFFFAOYSA-N -1 0 323.305 -0.396 20 0 DBADRM CO[N-]C(=O)CNC(=O)CN1CC[C@H](c2ccccc2)NC1=O ZINC000832746295 805490185 /nfs/dbraw/zinc/49/01/85/805490185.db2.gz YHHLMAZDQDZWGG-GFCCVEGCSA-N -1 0 320.349 -0.063 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000832748780 805490772 /nfs/dbraw/zinc/49/07/72/805490772.db2.gz IPMZSWYWCTWSCP-JZYVYDRUSA-N -1 0 313.354 -0.107 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccccc1CN1CCOCC1 ZINC000832766280 805490779 /nfs/dbraw/zinc/49/07/79/805490779.db2.gz CHRHHVSTCBTRJT-UHFFFAOYSA-N -1 0 307.350 -0.074 20 0 DBADRM CO[N-]C(=O)CNC(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000832773632 805491269 /nfs/dbraw/zinc/49/12/69/805491269.db2.gz WXGPHRVVKWIMAV-VIFPVBQESA-N -1 0 307.306 -0.406 20 0 DBADRM CCN(CC)C(=O)N1CCC(C(=O)NCC(=O)[N-]OC)CC1 ZINC000832773684 805491851 /nfs/dbraw/zinc/49/18/51/805491851.db2.gz YSQWGKUNILHDRD-UHFFFAOYSA-N -1 0 314.386 -0.046 20 0 DBADRM CO[N-]C(=O)CNC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000832773179 805491948 /nfs/dbraw/zinc/49/19/48/805491948.db2.gz DKZIQEJRNZLILB-UHFFFAOYSA-N -1 0 312.370 -0.292 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](C(C)C)N1C[C@H](C)O[C@@H](C)C1 ZINC000832769217 805491975 /nfs/dbraw/zinc/49/19/75/805491975.db2.gz AGTSYDWZGVNQFP-GVXVVHGQSA-N -1 0 301.387 -0.086 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)no1 ZINC000832892325 805493888 /nfs/dbraw/zinc/49/38/88/805493888.db2.gz VWIAFPYLFDMPGV-VIFPVBQESA-N -1 0 324.337 -0.071 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(C[C@@H]2CC(C(=O)[O-])=NO2)c1 ZINC000833690871 805495160 /nfs/dbraw/zinc/49/51/60/805495160.db2.gz IDOUZOQJNOSAKT-ZETCQYMHSA-N -1 0 302.312 -0.637 20 0 DBADRM C[C@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000833517468 805495294 /nfs/dbraw/zinc/49/52/94/805495294.db2.gz OTGOAVVIECGJHQ-SFYZADRCSA-N -1 0 317.342 -0.408 20 0 DBADRM Cn1cc(N2CCN(CN3C[C@H](NC(=O)[O-])CC3=O)CC2)cn1 ZINC000833951962 805496098 /nfs/dbraw/zinc/49/60/98/805496098.db2.gz YVJLTWZPXMAVHI-LLVKDONJSA-N -1 0 322.369 -0.632 20 0 DBADRM O=C([O-])N1CC(CC(=O)N(CCO)CCN2CCOCC2)C1 ZINC000834064823 805496145 /nfs/dbraw/zinc/49/61/45/805496145.db2.gz AKZQAGHEMXKSPC-UHFFFAOYSA-N -1 0 315.370 -0.861 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCOC3(CCOCC3)C2)C1 ZINC000834159400 805496205 /nfs/dbraw/zinc/49/62/05/805496205.db2.gz PSUVRMGIKDPVDT-NSHDSACASA-N -1 0 313.354 -0.306 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NOC2CCCC2)CC1 ZINC000834019287 805496484 /nfs/dbraw/zinc/49/64/84/805496484.db2.gz NENAGMZZIYGWLV-UHFFFAOYSA-N -1 0 314.342 -0.018 20 0 DBADRM CC1(C)OC[C@@H]2C[C@@]21C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000834324930 805497348 /nfs/dbraw/zinc/49/73/48/805497348.db2.gz NUBAEOPDXMUMMO-UFBFGSQYSA-N -1 0 304.368 -0.616 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(CO)cc1 ZINC000834325064 805497361 /nfs/dbraw/zinc/49/73/61/805497361.db2.gz UBJSSDKMSOUURP-UHFFFAOYSA-N -1 0 300.336 -0.625 20 0 DBADRM CC(C)C1(O)CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000834456744 805501411 /nfs/dbraw/zinc/50/14/11/805501411.db2.gz FKZKREGWMQCCSD-UHFFFAOYSA-N -1 0 314.363 -0.118 20 0 DBADRM CN1C(=O)CO[C@H](C(=O)[N-]OCC(C)(C)O)[C@H]1c1cccnc1 ZINC000834628520 805513875 /nfs/dbraw/zinc/51/38/75/805513875.db2.gz PGENVGKEXKXBKZ-OLZOCXBDSA-N -1 0 323.349 -0.201 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CSC2CC2)CC1 ZINC000835464963 805521110 /nfs/dbraw/zinc/52/11/10/805521110.db2.gz UUHXGDBLHGODBW-UHFFFAOYSA-N -1 0 321.424 -0.593 20 0 DBADRM CCc1csc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)n1 ZINC000835592172 805521838 /nfs/dbraw/zinc/52/18/38/805521838.db2.gz DPLWVOKJUFUDRP-UHFFFAOYSA-N -1 0 319.408 -0.157 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)CCOC(C)(C)C ZINC000835919297 805522370 /nfs/dbraw/zinc/52/23/70/805522370.db2.gz SFTLCDSJYYASLM-UHFFFAOYSA-N -1 0 324.399 -0.648 20 0 DBADRM C[C@H](NC(=O)c1cc(=O)[nH][n-]1)C(=O)NCCc1ccccc1 ZINC000836969675 805531329 /nfs/dbraw/zinc/53/13/29/805531329.db2.gz KMKRBZHKCKUXFP-JTQLQIEISA-N -1 0 302.334 -0.274 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000836902986 805531663 /nfs/dbraw/zinc/53/16/63/805531663.db2.gz YFFYERAYOVTHKK-QMTHXVAHSA-N -1 0 313.354 -0.228 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1c[nH]nc1Cl)C(=O)[O-] ZINC000837287879 805532882 /nfs/dbraw/zinc/53/28/82/805532882.db2.gz JYELBWQKOZIELZ-IYSWYEEDSA-N -1 0 311.747 -0.044 20 0 DBADRM O=C(NCCNS(=O)(=O)c1cccnc1)c1c[n-]ncc1=O ZINC001295320253 805545623 /nfs/dbraw/zinc/54/56/23/805545623.db2.gz BBNCTMPHBQKXIC-UHFFFAOYSA-N -1 0 323.334 -0.715 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cc(OC)ccc1OC ZINC000838801791 805545789 /nfs/dbraw/zinc/54/57/89/805545789.db2.gz BZMCUEJDLHQEEW-UHFFFAOYSA-N -1 0 317.319 -0.064 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cc(OC)cc(OC)c1 ZINC000838801945 805545967 /nfs/dbraw/zinc/54/59/67/805545967.db2.gz FDCOWDXBVMGDOT-UHFFFAOYSA-N -1 0 317.319 -0.064 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(=O)OC)C1 ZINC000838800684 805546139 /nfs/dbraw/zinc/54/61/39/805546139.db2.gz JXTOVCHPGTZZAS-BDAKNGLRSA-N -1 0 321.351 -0.415 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000838804278 805546166 /nfs/dbraw/zinc/54/61/66/805546166.db2.gz RYCLMIHALPTDQX-SECBINFHSA-N -1 0 320.367 -0.890 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(OC)nc1 ZINC000838847890 805546541 /nfs/dbraw/zinc/54/65/41/805546541.db2.gz CZHQRIOXKVBIFK-UHFFFAOYSA-N -1 0 302.308 -0.287 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cnn2ccccc12 ZINC000838848023 805546953 /nfs/dbraw/zinc/54/69/53/805546953.db2.gz PCUORIUIGPLORA-UHFFFAOYSA-N -1 0 311.319 -0.043 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cccc2c1OCCO2 ZINC000838807987 805547041 /nfs/dbraw/zinc/54/70/41/805547041.db2.gz XWWCYBICDFCTGR-UHFFFAOYSA-N -1 0 315.303 -0.310 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(C)=O ZINC000838889092 805548453 /nfs/dbraw/zinc/54/84/53/805548453.db2.gz MKEIBUCKWNNQRE-PSASIEDQSA-N -1 0 322.383 -0.311 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1cccc(Cn2ccnn2)c1 ZINC001295427275 805553627 /nfs/dbraw/zinc/55/36/27/805553627.db2.gz BGZGSSNWXDQTQP-UHFFFAOYSA-N -1 0 300.278 -0.067 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@@H]1Cc2cc(F)ccc2NC1=O ZINC001295430865 805554778 /nfs/dbraw/zinc/55/47/78/805554778.db2.gz UBAOXDPOPPUNED-QMMMGPOBSA-N -1 0 306.253 -0.071 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@H]1Cc2cc(F)ccc2NC1=O ZINC001295430864 805554892 /nfs/dbraw/zinc/55/48/92/805554892.db2.gz UBAOXDPOPPUNED-MRVPVSSYSA-N -1 0 306.253 -0.071 20 0 DBADRM O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1cc(=O)[nH][n-]1 ZINC000839866133 805561332 /nfs/dbraw/zinc/56/13/32/805561332.db2.gz BSXYTEOVYLBFQW-JTQLQIEISA-N -1 0 304.281 -0.077 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000883409262 807013625 /nfs/dbraw/zinc/01/36/25/807013625.db2.gz SJKHRLRIFAGPGY-LBPRGKRZSA-N -1 0 312.366 -0.057 20 0 DBADRM Cc1nnc(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n1C ZINC001324891489 807013656 /nfs/dbraw/zinc/01/36/56/807013656.db2.gz XQEQELVDZDESER-UHFFFAOYSA-N -1 0 315.293 -0.197 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccn([C@H](C)COC)n1 ZINC001324885529 807013933 /nfs/dbraw/zinc/01/39/33/807013933.db2.gz DPXLNEPZMJIJCF-SECBINFHSA-N -1 0 300.315 -0.277 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](CF)C2)C1 ZINC000883636706 807018892 /nfs/dbraw/zinc/01/88/92/807018892.db2.gz XZEZGUXLMJHHGN-YGRLFVJLSA-N -1 0 316.329 -0.246 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000883637015 807019558 /nfs/dbraw/zinc/01/95/58/807019558.db2.gz FPTZZOQLDOYPSJ-GMTAPVOTSA-N -1 0 314.338 -0.818 20 0 DBADRM C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)NCCOCC(=O)[O-] ZINC000884476446 807050643 /nfs/dbraw/zinc/05/06/43/807050643.db2.gz QDARBNURWHMRGZ-BDAKNGLRSA-N -1 0 304.368 -0.444 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3cnn4cccnc34)C2)nn1 ZINC001325303836 807058898 /nfs/dbraw/zinc/05/88/98/807058898.db2.gz UYIJOCPKEBQRJE-UHFFFAOYSA-N -1 0 313.277 -0.284 20 0 DBADRM O=c1nc(CNS(=O)(=O)CCOCC2CCCC2)[n-]o1 ZINC001325656801 807088971 /nfs/dbraw/zinc/08/89/71/807088971.db2.gz XREYNGXRJWLHAP-UHFFFAOYSA-N -1 0 305.356 -0.011 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@]1(C)CC1(F)F)[C@@H](C)O ZINC000885505053 807096256 /nfs/dbraw/zinc/09/62/56/807096256.db2.gz FZCCKLRNBXERMW-FJXKBIBVSA-N -1 0 301.311 -0.127 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)[C@H]1CCCOC1 ZINC000885750226 807103958 /nfs/dbraw/zinc/10/39/58/807103958.db2.gz LYIWHXCKTNGRBQ-VHSXEESVSA-N -1 0 314.429 -0.010 20 0 DBADRM C[C@@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])c1ncn(C)n1 ZINC001325861332 807111280 /nfs/dbraw/zinc/11/12/80/807111280.db2.gz FDSJVFYDOUNDRN-MRVPVSSYSA-N -1 0 311.342 -0.391 20 0 DBADRM Cn1cc(-c2[nH]ncc2C(=O)[N-]N2CC(=O)N(C)C2=O)cn1 ZINC001325982913 807125519 /nfs/dbraw/zinc/12/55/19/807125519.db2.gz GSVICEZYSRXWEZ-UHFFFAOYSA-N -1 0 303.282 -0.651 20 0 DBADRM Cn1nnc2cc(NC(=O)C(=O)[N-]OC[C@H]3CCOC3)ccc21 ZINC001326077914 807142462 /nfs/dbraw/zinc/14/24/62/807142462.db2.gz SDNQBVKJYSREOK-VIFPVBQESA-N -1 0 319.321 -0.009 20 0 DBADRM O=C([O-])[C@@H]1CN(c2ccc(C(=O)N3CCOCC3)cn2)CCO1 ZINC000886905360 807144102 /nfs/dbraw/zinc/14/41/02/807144102.db2.gz DYEWOSDAQLRYGQ-LBPRGKRZSA-N -1 0 321.333 -0.156 20 0 DBADRM O=C([O-])[C@H]1CN(c2ccnc(C(=O)N3CCOCC3)c2)CCO1 ZINC000886905182 807144178 /nfs/dbraw/zinc/14/41/78/807144178.db2.gz AZPDNPXNODRJCD-CYBMUJFWSA-N -1 0 321.333 -0.156 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000887052544 807146594 /nfs/dbraw/zinc/14/65/94/807146594.db2.gz ZBGNMNSGDBIXGZ-TUAOUCFPSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC000887052493 807146945 /nfs/dbraw/zinc/14/69/45/807146945.db2.gz XFRPJBNYGLABJH-MLGHIDQZSA-N -1 0 324.377 -0.215 20 0 DBADRM CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000887057450 807147106 /nfs/dbraw/zinc/14/71/06/807147106.db2.gz GQMYMQMMQDOGOC-MXWKQRLJSA-N -1 0 323.349 -0.859 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC001326239194 807163160 /nfs/dbraw/zinc/16/31/60/807163160.db2.gz GLTLKPAXPPSFFN-NSHDSACASA-N -1 0 313.354 -0.658 20 0 DBADRM CN(CC(=O)[N-]OCc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC001326242795 807163387 /nfs/dbraw/zinc/16/33/87/807163387.db2.gz XFOJTRCRJATHEA-LBPRGKRZSA-N -1 0 313.379 -0.252 20 0 DBADRM C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001326343376 807172229 /nfs/dbraw/zinc/17/22/29/807172229.db2.gz PBQNJEFLHRVVSV-ZETCQYMHSA-N -1 0 319.325 -0.067 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCc2nc(C3CC3)no2)C1 ZINC001326546986 807192707 /nfs/dbraw/zinc/19/27/07/807192707.db2.gz LTMWZHAPNQTWJU-BDAKNGLRSA-N -1 0 322.321 -0.067 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC001326547710 807192829 /nfs/dbraw/zinc/19/28/29/807192829.db2.gz QPURKXQXQPBKRM-OUAUKWLOSA-N -1 0 320.349 -0.316 20 0 DBADRM CN(C)[C@@H](CNC(=O)C(=O)NCCCC(=O)[O-])c1ccco1 ZINC001326548299 807193581 /nfs/dbraw/zinc/19/35/81/807193581.db2.gz WKCMKWLKBPITAC-JTQLQIEISA-N -1 0 311.338 -0.021 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1nc([C@@H]2CCCO2)n[nH]1 ZINC001326743188 807208763 /nfs/dbraw/zinc/20/87/63/807208763.db2.gz HDVCGMFPHILXPL-QMMMGPOBSA-N -1 0 312.330 -0.477 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC(c2nncn2C)CC1)C(=O)[O-] ZINC001326847045 807218067 /nfs/dbraw/zinc/21/80/67/807218067.db2.gz OWJSQKWLJXIOAC-VIFPVBQESA-N -1 0 323.353 -0.642 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000898562766 807225372 /nfs/dbraw/zinc/22/53/72/807225372.db2.gz OYLDDUSVQCNAEL-LLVKDONJSA-N -1 0 313.354 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC001327015357 807232848 /nfs/dbraw/zinc/23/28/48/807232848.db2.gz DTJFHNQMSFTFDO-SECBINFHSA-N -1 0 301.343 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC001327033196 807235300 /nfs/dbraw/zinc/23/53/00/807235300.db2.gz MWLOEDBXBVGMJI-VXGBXAGGSA-N -1 0 323.752 -0.009 20 0 DBADRM COC[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@@H]1CCCOC1 ZINC000898868836 807240209 /nfs/dbraw/zinc/24/02/09/807240209.db2.gz FQBRCPINBZAHMZ-GRYCIOLGSA-N -1 0 316.354 -0.077 20 0 DBADRM Cn1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)n1 ZINC001327101089 807242425 /nfs/dbraw/zinc/24/24/25/807242425.db2.gz GYFHFXYEKKWLRW-UHFFFAOYSA-N -1 0 323.334 -0.355 20 0 DBADRM CCCO[N-]C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001327169897 807246290 /nfs/dbraw/zinc/24/62/90/807246290.db2.gz ADNVSIKHXCTNTC-VIFPVBQESA-N -1 0 317.367 -0.390 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H](CO)CC1CCOCC1 ZINC001327281910 807254741 /nfs/dbraw/zinc/25/47/41/807254741.db2.gz FEKMPGMGBJVGJU-LBPRGKRZSA-N -1 0 317.386 -0.222 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)[N-]OCc2ccccc2)O1 ZINC001327301456 807258289 /nfs/dbraw/zinc/25/82/89/807258289.db2.gz FUAWNEVOHYXYGX-NEPJUHHUSA-N -1 0 321.333 -0.617 20 0 DBADRM C[C@]1(NC(=O)C(=O)Nc2cccnc2C(=O)[O-])CCOC1=O ZINC001327480741 807289437 /nfs/dbraw/zinc/28/94/37/807289437.db2.gz SLQPSPMEWBKPKQ-ZDUSSCGKSA-N -1 0 307.262 -0.460 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)Cc1cccs1 ZINC001327493439 807292589 /nfs/dbraw/zinc/29/25/89/807292589.db2.gz RDAOLCQQVHVPNW-SECBINFHSA-N -1 0 313.379 -0.021 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCc1cnc(C(F)(F)F)nc1 ZINC001327500492 807293528 /nfs/dbraw/zinc/29/35/28/807293528.db2.gz NFKFEOGCDOWOKK-UHFFFAOYSA-N -1 0 320.227 -0.298 20 0 DBADRM C[C@@H](NC(=O)C(=O)NCC1(C(=O)[O-])CCC1)c1ncn(C)n1 ZINC001327499996 807293639 /nfs/dbraw/zinc/29/36/39/807293639.db2.gz JXKKKZSILHBZPH-MRVPVSSYSA-N -1 0 309.326 -0.637 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cc[n+]([O-])cc1 ZINC001327496754 807293651 /nfs/dbraw/zinc/29/36/51/807293651.db2.gz VRHFSWNSIWAXKL-UHFFFAOYSA-N -1 0 304.324 -0.959 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)C1CCOCC1 ZINC001327526256 807299011 /nfs/dbraw/zinc/29/90/11/807299011.db2.gz LSAFXPKXMFWYIO-SECBINFHSA-N -1 0 301.343 -0.898 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCc2ccccc2CC1 ZINC001327571330 807304850 /nfs/dbraw/zinc/30/48/50/807304850.db2.gz JTRWNDGNNDFOTE-UHFFFAOYSA-N -1 0 319.361 -0.202 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](CC)O[C@H](CC)C1 ZINC001327571945 807304870 /nfs/dbraw/zinc/30/48/70/807304870.db2.gz RWVKLQRQTZOSSX-GHMZBOCLSA-N -1 0 315.370 -0.414 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](CC)O[C@@H](CC)C1 ZINC001327571946 807305197 /nfs/dbraw/zinc/30/51/97/807305197.db2.gz RWVKLQRQTZOSSX-PHIMTYICSA-N -1 0 315.370 -0.414 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCO[C@@H](CC)C1 ZINC001327572589 807305671 /nfs/dbraw/zinc/30/56/71/807305671.db2.gz ZSJZENNZGOULSH-JTQLQIEISA-N -1 0 301.343 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1cccc(O)c1 ZINC001327571985 807306373 /nfs/dbraw/zinc/30/63/73/807306373.db2.gz SQGHGAAWDLEVOK-UHFFFAOYSA-N -1 0 309.322 -0.466 20 0 DBADRM CCOCCOCC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC001327634482 807315817 /nfs/dbraw/zinc/31/58/17/807315817.db2.gz GVMKRJGXROLXCU-UHFFFAOYSA-N -1 0 305.356 -0.581 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001327629019 807315942 /nfs/dbraw/zinc/31/59/42/807315942.db2.gz VOFIOOYAFYIQTM-UHFFFAOYSA-N -1 0 309.366 -0.312 20 0 DBADRM CO[N-]C(=O)CNC(=O)CC[C@H]1CC[C@@H](C2OCCO2)O1 ZINC000900701723 807322703 /nfs/dbraw/zinc/32/27/03/807322703.db2.gz SWFIFSLVMUHASF-ZJUUUORDSA-N -1 0 302.327 -0.519 20 0 DBADRM O=C([O-])[C@@H]1COCCN1c1cc(N2CCC[C@@H](CO)C2)ncn1 ZINC000900943255 807334451 /nfs/dbraw/zinc/33/44/51/807334451.db2.gz FCXAMFNBLFAGBN-NEPJUHHUSA-N -1 0 322.365 -0.025 20 0 DBADRM C[C@H](O)[C@H]1CCN(c2cc(N3CCOC[C@@H]3C(=O)[O-])ncn2)C1 ZINC000900942727 807334642 /nfs/dbraw/zinc/33/46/42/807334642.db2.gz CEMDXGIEPNHFDI-SDDRHHMPSA-N -1 0 322.365 -0.027 20 0 DBADRM O=C([O-])[C@H]1COCCN1c1ccc(C(=O)N2CCOCC2)cn1 ZINC000900947091 807335276 /nfs/dbraw/zinc/33/52/76/807335276.db2.gz XOLTUQHAVAPHOD-GFCCVEGCSA-N -1 0 321.333 -0.156 20 0 DBADRM O=C(CN1CCNCC1=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000901059793 807343736 /nfs/dbraw/zinc/34/37/36/807343736.db2.gz UOUIRZGONPIRED-OUAUKWLOSA-N -1 0 315.395 -0.947 20 0 DBADRM COc1ccc(COCC(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000901447457 807364860 /nfs/dbraw/zinc/36/48/60/807364860.db2.gz JEYBJOIRJDDIMN-LLVKDONJSA-N -1 0 310.306 -0.081 20 0 DBADRM CN(C)C(=O)NCCN(C)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC000901625796 807365261 /nfs/dbraw/zinc/36/52/61/807365261.db2.gz UJSIDXMUHLDYCZ-WDEREUQCSA-N -1 0 315.370 -0.014 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC000901648129 807365408 /nfs/dbraw/zinc/36/54/08/807365408.db2.gz QVFNUSNWVFLMMA-VHSXEESVSA-N -1 0 308.338 -0.048 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C2(C(=O)[O-])CCSCC2)CCO1 ZINC000901592549 807365430 /nfs/dbraw/zinc/36/54/30/807365430.db2.gz FISHLMVNKBDVKO-VIFPVBQESA-N -1 0 317.363 -0.015 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CCN3C(=O)NC[C@H]3C2)CO1 ZINC000901846992 807365843 /nfs/dbraw/zinc/36/58/43/807365843.db2.gz DWZKSLDPTFTLLO-GARJFASQSA-N -1 0 311.338 -0.508 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000901747407 807366348 /nfs/dbraw/zinc/36/63/48/807366348.db2.gz HMAWPJTWCFKDOV-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)[C@]3(C(=O)[O-])C[C@H]3C)CCN2C1=O ZINC000901846336 807366458 /nfs/dbraw/zinc/36/64/58/807366458.db2.gz BOGICGSOQOWIDD-NUPCCRGMSA-N -1 0 309.322 -0.408 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1ccnc3ccnn31)C2 ZINC000902061063 807367842 /nfs/dbraw/zinc/36/78/42/807367842.db2.gz NBDPOCSBMROYPO-YMTOWFKASA-N -1 0 302.290 -0.098 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)C1 ZINC000902544344 807374997 /nfs/dbraw/zinc/37/49/97/807374997.db2.gz ZYUCKDIDZFBTGT-WHOHXGKFSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1)C1CC1 ZINC000902628574 807378390 /nfs/dbraw/zinc/37/83/90/807378390.db2.gz YHMCYMAQRJNDDM-AXFHLTTASA-N -1 0 301.364 -0.010 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C1CCN(OC)CC1 ZINC000902712604 807380074 /nfs/dbraw/zinc/38/00/74/807380074.db2.gz NAHINSWSKJVOTD-UHFFFAOYSA-N -1 0 302.327 -0.264 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H]1[C@@H]3COC[C@@H]31)C[C@@H]2C(=O)[O-] ZINC000902742333 807380729 /nfs/dbraw/zinc/38/07/29/807380729.db2.gz ODBXMVDFHROBBB-GZGVSDSHSA-N -1 0 323.345 -0.009 20 0 DBADRM Cn1ncc(C(=O)[O-])c1C(=O)N1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000902762518 807380834 /nfs/dbraw/zinc/38/08/34/807380834.db2.gz NJPHGLFZAMEHAX-BDAKNGLRSA-N -1 0 306.322 -0.046 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2CCc3cncn3C2)CC1 ZINC000902770164 807381267 /nfs/dbraw/zinc/38/12/67/807381267.db2.gz FOFYHJQUQRKWSA-JTQLQIEISA-N -1 0 306.322 -0.799 20 0 DBADRM CC(C)c1nccn1CC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000902772564 807381748 /nfs/dbraw/zinc/38/17/48/807381748.db2.gz FZDCKOJLBVNUAO-UHFFFAOYSA-N -1 0 308.338 -0.238 20 0 DBADRM CCOC1(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCOCC1 ZINC000902771573 807381795 /nfs/dbraw/zinc/38/17/95/807381795.db2.gz HSUHYWZQYMQIFZ-UHFFFAOYSA-N -1 0 314.338 -0.673 20 0 DBADRM O=Cc1ccc(CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000902772572 807382019 /nfs/dbraw/zinc/38/20/19/807382019.db2.gz GFEXKGOXLXUYLE-UHFFFAOYSA-N -1 0 304.302 -0.203 20 0 DBADRM Cn1cc(Cl)c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC000902773120 807382055 /nfs/dbraw/zinc/38/20/55/807382055.db2.gz XDKRTHXGJNKYOZ-UHFFFAOYSA-N -1 0 300.702 -0.558 20 0 DBADRM C[C@@]1(Br)C[C@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000902771361 807382150 /nfs/dbraw/zinc/38/21/50/807382150.db2.gz DKMWMTHQDPZAPJ-WRWORJQWSA-N -1 0 319.155 -0.085 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)CCOC2CCOCC2)CC1 ZINC000902776684 807382158 /nfs/dbraw/zinc/38/21/58/807382158.db2.gz MTSIXWOKQDPGGL-UHFFFAOYSA-N -1 0 314.338 -0.673 20 0 DBADRM COC[C@H](CN1c2c(cnn2C)C([O-])=CS1(=O)=O)OC ZINC000902833563 807382411 /nfs/dbraw/zinc/38/24/11/807382411.db2.gz GZGJQBKSCBSCMR-QMMMGPOBSA-N -1 0 303.340 -0.586 20 0 DBADRM COCCCS(=O)(=O)NCCN1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000903616097 807401524 /nfs/dbraw/zinc/40/15/24/807401524.db2.gz CFOCPHRELHAIMY-UWVGGRQHSA-N -1 0 312.363 -0.561 20 0 DBADRM CO[C@](C)(C(=O)[N-]S(=O)(=O)N(C)C)C(=O)OC(C)(C)C ZINC001328333603 807412563 /nfs/dbraw/zinc/41/25/63/807412563.db2.gz MSDIUUIDTNUCHS-LLVKDONJSA-N -1 0 310.372 -0.344 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N[C@@H](CO)C2CC2)n1 ZINC001328332653 807412999 /nfs/dbraw/zinc/41/29/99/807412999.db2.gz BEYHIGWYITYYLU-VIFPVBQESA-N -1 0 324.337 -0.472 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NC[C@H]2CCOC2)n1 ZINC001328335059 807413656 /nfs/dbraw/zinc/41/36/56/807413656.db2.gz WXWKOXVYOQECBN-SECBINFHSA-N -1 0 324.337 -0.206 20 0 DBADRM CCn1cc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)nn1 ZINC001328349049 807414849 /nfs/dbraw/zinc/41/48/49/807414849.db2.gz DHJKCOQEEFWCMO-UHFFFAOYSA-N -1 0 309.326 -0.715 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H](C)n1cnc2c1ncnc2N ZINC001328355453 807415443 /nfs/dbraw/zinc/41/54/43/807415443.db2.gz JEPHAZPWFZFITO-SSDOTTSWSA-N -1 0 307.314 -0.847 20 0 DBADRM C[C@@H](NCC(=O)NCC(=O)N(C)Cc1ccccc1)C(=O)[O-] ZINC000904258656 807423134 /nfs/dbraw/zinc/42/31/34/807423134.db2.gz RDCNSLJKSPZPNB-LLVKDONJSA-N -1 0 307.350 -0.176 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@H](C)C1 ZINC000904937900 807427739 /nfs/dbraw/zinc/42/77/39/807427739.db2.gz FBKMJEHONVXAFY-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000904936007 807427798 /nfs/dbraw/zinc/42/77/98/807427798.db2.gz HCHZALLCNVVSNM-PHIMTYICSA-N -1 0 314.338 -0.674 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@@H](C)C1 ZINC000904937898 807427994 /nfs/dbraw/zinc/42/79/94/807427994.db2.gz FBKMJEHONVXAFY-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCOC[C@H](C)C1 ZINC000904936352 807428024 /nfs/dbraw/zinc/42/80/24/807428024.db2.gz MCXCAGIEPUEAFG-LLVKDONJSA-N -1 0 316.354 -0.569 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N(C)C[C@H]1CCOC1 ZINC000904939241 807428077 /nfs/dbraw/zinc/42/80/77/807428077.db2.gz GPVFUXMPGYDRGV-LLVKDONJSA-N -1 0 316.354 -0.569 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@H](OC)C1 ZINC000904936179 807428088 /nfs/dbraw/zinc/42/80/88/807428088.db2.gz IMINDIJTJCWYPH-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1 ZINC001328454354 807428472 /nfs/dbraw/zinc/42/84/72/807428472.db2.gz HFQMFXNFRVYKEO-GMTAPVOTSA-N -1 0 323.349 -0.953 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCOC[C@]23CCOC3)CCC1 ZINC000905039206 807443642 /nfs/dbraw/zinc/44/36/42/807443642.db2.gz SGWVFFFKCVQKOH-LLVKDONJSA-N -1 0 305.352 -0.185 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC001328606806 807447649 /nfs/dbraw/zinc/44/76/49/807447649.db2.gz QKNQRAKQDDBAIG-QMMMGPOBSA-N -1 0 307.306 -0.761 20 0 DBADRM COC(=O)CCSCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001328687415 807455109 /nfs/dbraw/zinc/45/51/09/807455109.db2.gz DXBNIMDALOICHU-UHFFFAOYSA-N -1 0 302.312 -0.691 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2nc3ncccn3n2)C1=O ZINC001328677636 807455173 /nfs/dbraw/zinc/45/51/73/807455173.db2.gz BWHNFUBRIMFWSO-LBPRGKRZSA-N -1 0 303.282 -0.510 20 0 DBADRM COCCOc1ccc(CNC(=O)c2cc(=O)n(C)[n-]2)nn1 ZINC001328703069 807457791 /nfs/dbraw/zinc/45/77/91/807457791.db2.gz CAXDKZMGVOUSOY-UHFFFAOYSA-N -1 0 307.310 -0.129 20 0 DBADRM COC[C@H](NC(=O)N1CCOC[C@@H]1C(=O)[O-])[C@@H]1CCCOC1 ZINC000905593130 807464839 /nfs/dbraw/zinc/46/48/39/807464839.db2.gz YWRLFDPTKPDSEZ-GRYCIOLGSA-N -1 0 316.354 -0.077 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)C1=O ZINC001328846050 807476300 /nfs/dbraw/zinc/47/63/00/807476300.db2.gz PDNVGFPZORTAON-GHMZBOCLSA-N -1 0 313.354 -0.804 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1c(C2CCC2)cnn1C ZINC000906293184 807480875 /nfs/dbraw/zinc/48/08/75/807480875.db2.gz DKIOZTAPOHIXJT-UHFFFAOYSA-N -1 0 305.342 -0.005 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1ccnn1CC(F)F ZINC000906296280 807481305 /nfs/dbraw/zinc/48/13/05/807481305.db2.gz SLOWUXKOXDASDN-UHFFFAOYSA-N -1 0 301.257 -0.545 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)[N-]OC1CCCCC1 ZINC001328875075 807481622 /nfs/dbraw/zinc/48/16/22/807481622.db2.gz RUSMDDGMLHUWRY-VIFPVBQESA-N -1 0 306.384 -0.084 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1nc(C)n2ccccc12 ZINC000906298419 807481887 /nfs/dbraw/zinc/48/18/87/807481887.db2.gz ZJFYOEJAVZMWDA-UHFFFAOYSA-N -1 0 301.310 -0.050 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC1CCC(OC)CC1 ZINC001328965193 807495941 /nfs/dbraw/zinc/49/59/41/807495941.db2.gz VNMLJCBYEUYXRA-UHFFFAOYSA-N -1 0 301.343 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)CCc1ccncc1 ZINC001328997030 807502666 /nfs/dbraw/zinc/50/26/66/807502666.db2.gz BTLLKZQRHVYUJI-UHFFFAOYSA-N -1 0 308.338 -0.734 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@H](CC)CSC ZINC001328999446 807503528 /nfs/dbraw/zinc/50/35/28/807503528.db2.gz LKGWOVPVSYKUHI-SECBINFHSA-N -1 0 305.400 -0.230 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1c1ccccn1 ZINC001328998506 807503826 /nfs/dbraw/zinc/50/38/26/807503826.db2.gz GZMLQLGCRAKQOF-GFCCVEGCSA-N -1 0 320.349 -0.071 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC001329148352 807529352 /nfs/dbraw/zinc/52/93/52/807529352.db2.gz TZCFTYKQKYGJOH-ZJUUUORDSA-N -1 0 322.383 -0.847 20 0 DBADRM Cc1ccn(CC(=O)N2CCSC[C@H]2c2nnn[n-]2)c(=O)c1 ZINC000907480067 807531433 /nfs/dbraw/zinc/53/14/33/807531433.db2.gz OPKASUAYICXUPF-JTQLQIEISA-N -1 0 320.378 -0.013 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907473014 807531793 /nfs/dbraw/zinc/53/17/93/807531793.db2.gz BAXQZDOGLBQRBU-BDAKNGLRSA-N -1 0 310.383 -0.173 20 0 DBADRM CCN1CCO[C@@H](C(=O)N2CCSC[C@@H]2c2nnn[n-]2)C1 ZINC000907476656 807532022 /nfs/dbraw/zinc/53/20/22/807532022.db2.gz RACILRDFYUABSB-NXEZZACHSA-N -1 0 312.399 -0.463 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC001329210847 807538958 /nfs/dbraw/zinc/53/89/58/807538958.db2.gz AIGRWBCIWXMMLQ-UHFFFAOYSA-N -1 0 309.322 -0.263 20 0 DBADRM COCCCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001329215865 807539949 /nfs/dbraw/zinc/53/99/49/807539949.db2.gz DJHNAGJWFKARCJ-CQSZACIVSA-N -1 0 300.355 -0.199 20 0 DBADRM CS(=O)(=O)CCCNC(=O)CC1(C(=O)[O-])CCOCC1 ZINC001329289263 807547252 /nfs/dbraw/zinc/54/72/52/807547252.db2.gz WXVYCBGAOVXGHE-UHFFFAOYSA-N -1 0 307.368 -0.191 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000907772194 807550385 /nfs/dbraw/zinc/55/03/85/807550385.db2.gz PIJUIVWGCABWSG-MGLZNHIESA-N -1 0 308.334 -0.398 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC001329369342 807555161 /nfs/dbraw/zinc/55/51/61/807555161.db2.gz LAEQMRGFHZHDTG-JTQLQIEISA-N -1 0 315.370 -0.414 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC001329364706 807555243 /nfs/dbraw/zinc/55/52/43/807555243.db2.gz OTVHMKPANKMAAB-YPMHNXCESA-N -1 0 311.382 -0.234 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(=O)n(CCCOC)n1 ZINC001329479285 807574555 /nfs/dbraw/zinc/57/45/55/807574555.db2.gz DQYMGGWGCMUJKQ-UHFFFAOYSA-N -1 0 312.326 -0.923 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)CS(=O)(=O)C1CC1 ZINC000909012065 807606132 /nfs/dbraw/zinc/60/61/32/807606132.db2.gz ZUFNYGDDBSVECU-MRVPVSSYSA-N -1 0 307.393 -0.018 20 0 DBADRM COCCn1cc(C(=O)N2CCSC[C@H]2CC(=O)[O-])nn1 ZINC000909011349 807606377 /nfs/dbraw/zinc/60/63/77/807606377.db2.gz QHJAKBNMUWOORR-SECBINFHSA-N -1 0 314.367 -0.043 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)N2CCOC[C@@H]2C(=O)[O-])[C@H]1OC ZINC000909197018 807611594 /nfs/dbraw/zinc/61/15/94/807611594.db2.gz SCPWPJHPWQALGI-LNFKQOIKSA-N -1 0 302.327 -0.326 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 ZINC000909729866 807616325 /nfs/dbraw/zinc/61/63/25/807616325.db2.gz WBJQZCJLMSZZGI-JTQLQIEISA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)[C@@H](C(=O)[O-])C1 ZINC000909783192 807617662 /nfs/dbraw/zinc/61/76/62/807617662.db2.gz ZPXASCVJCNWFKO-NXEZZACHSA-N -1 0 321.399 -0.564 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)[C@H](O)C2CCC2)CC1 ZINC000909821968 807617752 /nfs/dbraw/zinc/61/77/52/807617752.db2.gz CZMABQJCBUSCNC-CFMSYZGJSA-N -1 0 303.380 -0.028 20 0 DBADRM CO[C@H](C)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001329805195 807621470 /nfs/dbraw/zinc/62/14/70/807621470.db2.gz AVVYWCLKJKQXBN-MRVPVSSYSA-N -1 0 312.326 -0.208 20 0 DBADRM C[C@@H](CO)N(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001329806808 807621547 /nfs/dbraw/zinc/62/15/47/807621547.db2.gz JZOCEOSIIUTOTE-QMMMGPOBSA-N -1 0 312.326 -0.520 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001329858385 807632245 /nfs/dbraw/zinc/63/22/45/807632245.db2.gz RGSKUEDEQHSEPX-GRYCIOLGSA-N -1 0 308.338 -0.500 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@H](C(C)(C)C)C1 ZINC001329869053 807634517 /nfs/dbraw/zinc/63/45/17/807634517.db2.gz XCQAKPUOGQSRBY-JTQLQIEISA-N -1 0 315.370 -0.556 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC(C)(C)OC[C@@H]1C ZINC001329869052 807634602 /nfs/dbraw/zinc/63/46/02/807634602.db2.gz XCNCFKBMBWGMJW-VIFPVBQESA-N -1 0 301.343 -0.804 20 0 DBADRM COC(=O)N1CC(NC(=O)C(=O)[N-]OCc2ccccc2)C1 ZINC001329880999 807636399 /nfs/dbraw/zinc/63/63/99/807636399.db2.gz RNZSYCLDFPCEHL-UHFFFAOYSA-N -1 0 307.306 -0.199 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC(=O)NC[C@H]1c1ccccc1 ZINC000923078252 807648249 /nfs/dbraw/zinc/64/82/49/807648249.db2.gz ALJPLGDFZXKLJX-LBPRGKRZSA-N -1 0 320.349 -0.063 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC001329964830 807650356 /nfs/dbraw/zinc/65/03/56/807650356.db2.gz XQRIJFGVYUOXSO-JTQLQIEISA-N -1 0 322.364 -0.499 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@@H](O)CC(F)(F)F ZINC000923251042 807656228 /nfs/dbraw/zinc/65/62/28/807656228.db2.gz XEVDZPFBYCEPOU-BQBZGAKWSA-N -1 0 305.274 -0.517 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)nn1 ZINC001330007368 807659085 /nfs/dbraw/zinc/65/90/85/807659085.db2.gz GXVWGLGZPYVSDV-MWLCHTKSSA-N -1 0 323.353 -0.517 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC001330026790 807662687 /nfs/dbraw/zinc/66/26/87/807662687.db2.gz NJRARBKQWPOOAV-SNVBAGLBSA-N -1 0 315.326 -0.830 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2CCCN2C=O)s1 ZINC001330221262 807687116 /nfs/dbraw/zinc/68/71/16/807687116.db2.gz NEOLGHSLLKWNOB-ZCFIWIBFSA-N -1 0 319.368 -0.531 20 0 DBADRM COCCCn1nc(C(=O)N[C@@H](COC)C(=O)[O-])ccc1=O ZINC001330514748 807725940 /nfs/dbraw/zinc/72/59/40/807725940.db2.gz YZCAYIRSVLEHDQ-JTQLQIEISA-N -1 0 313.310 -0.891 20 0 DBADRM C[C@H](CCC[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)Cc1cnn(C)c1 ZINC001330759249 807747145 /nfs/dbraw/zinc/74/71/45/807747145.db2.gz JBXBMGOURDCMRI-SNVBAGLBSA-N -1 0 321.385 -0.139 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCOC[C@H]2CC2CC2)C1 ZINC000926276095 807757294 /nfs/dbraw/zinc/75/72/94/807757294.db2.gz GNCBWYZOZGZVTI-VXGBXAGGSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC000926339313 807761870 /nfs/dbraw/zinc/76/18/70/807761870.db2.gz LYFCOLHPQBSING-LPTSXCQYSA-N -1 0 324.377 -0.215 20 0 DBADRM O=C([N-]OCCC(F)(F)F)C(=O)NCCCn1cncn1 ZINC001330992241 807763083 /nfs/dbraw/zinc/76/30/83/807763083.db2.gz NUKPPXUXNWPJAI-UHFFFAOYSA-N -1 0 309.248 -0.215 20 0 DBADRM CN(CCCCO)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926354197 807763840 /nfs/dbraw/zinc/76/38/40/807763840.db2.gz NVFXRDQGNSWVIH-NWDGAFQWSA-N -1 0 312.366 -0.214 20 0 DBADRM CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCN1C ZINC001331078354 807768487 /nfs/dbraw/zinc/76/84/87/807768487.db2.gz BMPCJOHEJZEXEG-GRYCIOLGSA-N -1 0 311.382 -0.236 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCN(CC2CC2)CC1 ZINC001331079222 807768605 /nfs/dbraw/zinc/76/86/05/807768605.db2.gz HBIQTGVGJIJOFV-TXEJJXNPSA-N -1 0 309.366 -0.480 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926441273 807770320 /nfs/dbraw/zinc/77/03/20/807770320.db2.gz ALJFPCKSLPHZDL-XQQFMLRXSA-N -1 0 324.377 -0.215 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000927210558 807783936 /nfs/dbraw/zinc/78/39/36/807783936.db2.gz GIJATVSBPWYMGE-MRVPVSSYSA-N -1 0 312.292 -0.058 20 0 DBADRM CCCC(=O)N[C@@H]1CCCN(C(=O)NCC(=O)[N-]OC)C1 ZINC000927207929 807783952 /nfs/dbraw/zinc/78/39/52/807783952.db2.gz NQFVWCWNHFRYBK-SNVBAGLBSA-N -1 0 300.359 -0.246 20 0 DBADRM CO[N-]C(=O)CNC(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000927213230 807784585 /nfs/dbraw/zinc/78/45/85/807784585.db2.gz QZRUJMDBXBHJTL-UHFFFAOYSA-N -1 0 316.402 -0.336 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000927213608 807784673 /nfs/dbraw/zinc/78/46/73/807784673.db2.gz DOMLBZTWJWCQMN-JTQLQIEISA-N -1 0 301.343 -0.357 20 0 DBADRM CC[C@@H]1CN(C(=O)NCC(=O)[N-]OC)C[C@H]1N1CCOCC1 ZINC000927211821 807784946 /nfs/dbraw/zinc/78/49/46/807784946.db2.gz GJPHRQFXJAMRQF-VXGBXAGGSA-N -1 0 314.386 -0.584 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000927212711 807785020 /nfs/dbraw/zinc/78/50/20/807785020.db2.gz VQVVTPLKVYQBRA-UHFFFAOYSA-N -1 0 300.359 -0.436 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000927211561 807785039 /nfs/dbraw/zinc/78/50/39/807785039.db2.gz NFQAIXXIWOONBG-LBPRGKRZSA-N -1 0 314.386 -0.440 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000927215869 807785630 /nfs/dbraw/zinc/78/56/30/807785630.db2.gz RBVQFXPVWZPRHP-QWRGUYRKSA-N -1 0 300.359 -0.831 20 0 DBADRM CNC(=O)CC[C@@H]1CCCCN1C(=O)NCC(=O)[N-]OC ZINC000927214357 807785803 /nfs/dbraw/zinc/78/58/03/807785803.db2.gz JBIASIWULLMIQC-JTQLQIEISA-N -1 0 300.359 -0.246 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000927215490 807785819 /nfs/dbraw/zinc/78/58/19/807785819.db2.gz OOJRGFXOERCGPK-UHFFFAOYSA-N -1 0 312.248 -0.920 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000927214558 807785937 /nfs/dbraw/zinc/78/59/37/807785937.db2.gz OTBNKJXSOUZGBU-CYBMUJFWSA-N -1 0 301.343 -0.357 20 0 DBADRM CCNC(=O)C[C@H]1CCCCN1C(=O)NCC(=O)[N-]OC ZINC000927216669 807785970 /nfs/dbraw/zinc/78/59/70/807785970.db2.gz ZLWPAAMIIRWVBN-SNVBAGLBSA-N -1 0 300.359 -0.246 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000927214584 807785990 /nfs/dbraw/zinc/78/59/90/807785990.db2.gz OWXKNGWCFCZCOB-KWBADKCTSA-N -1 0 301.343 -0.358 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H](CO)c1ccc(F)cc1F ZINC000927216189 807786094 /nfs/dbraw/zinc/78/60/94/807786094.db2.gz QBONDPJRYIASAO-SNVBAGLBSA-N -1 0 303.265 -0.025 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCSC[C@@H]1c1cnn(C)c1 ZINC000927214023 807786112 /nfs/dbraw/zinc/78/61/12/807786112.db2.gz HHNXULIDCAQKNL-SNVBAGLBSA-N -1 0 313.383 -0.103 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CC(=O)N(CCC(F)(F)F)C1 ZINC000927217366 807786612 /nfs/dbraw/zinc/78/66/12/807786612.db2.gz UPZXNVAYJQXTJL-UHFFFAOYSA-N -1 0 312.248 -0.572 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1F ZINC000927217724 807787125 /nfs/dbraw/zinc/78/71/25/807787125.db2.gz QCXYZVRMCNJAAN-LBPRGKRZSA-N -1 0 324.312 -0.314 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC001331306441 807787202 /nfs/dbraw/zinc/78/72/02/807787202.db2.gz LFWDSAXCSYRJFD-NSHDSACASA-N -1 0 323.353 -0.502 20 0 DBADRM C[C@H](C(=O)[N-]OC(C)(C)CO)S(=O)(=O)C1CCOCC1 ZINC001331393625 807792292 /nfs/dbraw/zinc/79/22/92/807792292.db2.gz PAQYKYYBCWETGX-SECBINFHSA-N -1 0 309.384 -0.213 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCO[C@H](CCF)C1)C(=O)[O-] ZINC000927956333 807800481 /nfs/dbraw/zinc/80/04/81/807800481.db2.gz ALZPMWKSPXULLL-NXEZZACHSA-N -1 0 304.318 -0.200 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)C(=O)[O-] ZINC000927962594 807800727 /nfs/dbraw/zinc/80/07/27/807800727.db2.gz FWQHQPHFAUUTPU-YFKTTZPYSA-N -1 0 310.350 -0.127 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCN(CC2CC2)CC1)C(=O)[O-] ZINC000927957330 807800734 /nfs/dbraw/zinc/80/07/34/807800734.db2.gz UVRZQZLJEOPKQY-GFCCVEGCSA-N -1 0 311.382 -0.232 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCO[C@@H](CCF)C1)C(=O)[O-] ZINC000927956346 807800818 /nfs/dbraw/zinc/80/08/18/807800818.db2.gz ALZPMWKSPXULLL-ZJUUUORDSA-N -1 0 304.318 -0.200 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@]23C[C@@H]2CCCC3)CCO1 ZINC000927950702 807800824 /nfs/dbraw/zinc/80/08/24/807800824.db2.gz PMHPRNUQZPPMSR-FIXISWKDSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCC(F)(C2CC2)CC1 ZINC000927952205 807801055 /nfs/dbraw/zinc/80/10/55/807801055.db2.gz FFLCSZLZIAVDGU-UHFFFAOYSA-N -1 0 316.329 -0.056 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C1 ZINC001331846315 807842630 /nfs/dbraw/zinc/84/26/30/807842630.db2.gz DNZCQNYTGQEYDR-WRWGMCAJSA-N -1 0 312.366 -0.215 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCO[C@H](C(F)F)C1 ZINC001332183036 807881568 /nfs/dbraw/zinc/88/15/68/807881568.db2.gz NYGFXWJESYQJRA-FXQIFTODSA-N -1 0 306.265 -0.542 20 0 DBADRM C[C@H]1[C@@H](NC(=O)C2(C(N)=O)CC2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001332200200 807883561 /nfs/dbraw/zinc/88/35/61/807883561.db2.gz SIQZGLUUVIQGBE-IUCAKERBSA-N -1 0 322.369 -0.755 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cccc(=O)[nH]1 ZINC001038133834 815157592 /nfs/dbraw/zinc/15/75/92/815157592.db2.gz OQZFCPKZVOCZDS-MRVPVSSYSA-N -1 0 304.310 -0.385 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC[C@@H]1O ZINC001332446621 807920313 /nfs/dbraw/zinc/92/03/13/807920313.db2.gz LDPOLEBOFANYDY-MGAJPHDKSA-N -1 0 324.377 -0.215 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)/C=C\CN1CCOCC1 ZINC001332448058 807920422 /nfs/dbraw/zinc/92/04/22/807920422.db2.gz LQYYYNPZVQZVSQ-IHWYPQMZSA-N -1 0 314.338 -0.649 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2CC(=O)N(C)C2CC2)c1[O-] ZINC001038160903 815159948 /nfs/dbraw/zinc/15/99/48/815159948.db2.gz JQSRWXUCEMXBPK-NSHDSACASA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2[C@H](C)C(=O)NC2CC2)c1[O-] ZINC001038162895 815160426 /nfs/dbraw/zinc/16/04/26/815160426.db2.gz ZYRQFWBRAQITKE-KOLCDFICSA-N -1 0 321.381 -0.105 20 0 DBADRM Cn1ccc(NCCNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001332507530 807930808 /nfs/dbraw/zinc/93/08/08/807930808.db2.gz QPSKDQYROAOGMR-UHFFFAOYSA-N -1 0 316.325 -0.967 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@@]1(OC)CCSC1 ZINC000931862593 807939330 /nfs/dbraw/zinc/93/93/30/807939330.db2.gz PKKBZBJXYZPHPS-LBPRGKRZSA-N -1 0 306.384 -0.291 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(Cl)cc1 ZINC001332585926 807943861 /nfs/dbraw/zinc/94/38/61/807943861.db2.gz VLBIEHUUMORSMV-UHFFFAOYSA-N -1 0 313.741 -0.208 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1ccc2c(c1)CCC2 ZINC001332636113 807956690 /nfs/dbraw/zinc/95/66/90/807956690.db2.gz ZPRAVUMHBFSKLH-UHFFFAOYSA-N -1 0 305.334 -0.415 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(F)c(F)c1 ZINC001332652523 807959337 /nfs/dbraw/zinc/95/93/37/807959337.db2.gz KBBIYDRLYSHFFW-UHFFFAOYSA-N -1 0 315.276 -0.583 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000932400828 807967088 /nfs/dbraw/zinc/96/70/88/807967088.db2.gz NOYPHTSLDGOGRA-UTLUCORTSA-N -1 0 304.368 -0.683 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC001332760819 807974366 /nfs/dbraw/zinc/97/43/66/807974366.db2.gz FKWJNPWGIUMPAD-VXGBXAGGSA-N -1 0 305.334 -0.157 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1(COC)CCCC1 ZINC001332815177 807982465 /nfs/dbraw/zinc/98/24/65/807982465.db2.gz OZOJGDMESQCZHW-UHFFFAOYSA-N -1 0 315.370 -0.507 20 0 DBADRM COc1ccc(CCNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cn1 ZINC001332817679 807983510 /nfs/dbraw/zinc/98/35/10/807983510.db2.gz FBYZWPRLDHQKNT-GFCCVEGCSA-N -1 0 323.349 -0.167 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001332818091 807983551 /nfs/dbraw/zinc/98/35/51/807983551.db2.gz HVKUZFVLFFRUNC-MRVPVSSYSA-N -1 0 313.276 -0.567 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(n2ccnc2)CC1 ZINC001332843772 807986653 /nfs/dbraw/zinc/98/66/53/807986653.db2.gz RMTMRDOYCGYVCL-UHFFFAOYSA-N -1 0 323.353 -0.770 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CC)CCC(F)(F)F ZINC001332843183 807986711 /nfs/dbraw/zinc/98/67/11/807986711.db2.gz PWUGQHREXVKNKB-UHFFFAOYSA-N -1 0 313.276 -0.029 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](CC)OC[C@H]1CC ZINC001332844259 807986844 /nfs/dbraw/zinc/98/68/44/807986844.db2.gz VNRFPZNIDCBZAB-MNOVXSKESA-N -1 0 315.370 -0.414 20 0 DBADRM CCOC(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC001332944826 807999002 /nfs/dbraw/zinc/99/90/02/807999002.db2.gz IGZULNHNQFNVHP-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM CCOC(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC001332944827 807999208 /nfs/dbraw/zinc/99/92/08/807999208.db2.gz IGZULNHNQFNVHP-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001333238164 808032724 /nfs/dbraw/zinc/03/27/24/808032724.db2.gz OZKJFNIESHEQCX-SNVBAGLBSA-N -1 0 301.343 -0.945 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@]2(CC2(F)F)C1 ZINC001333336245 808046289 /nfs/dbraw/zinc/04/62/89/808046289.db2.gz SMQAVQZQNOPADY-NSHDSACASA-N -1 0 305.281 -0.572 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC001333335644 808046742 /nfs/dbraw/zinc/04/67/42/808046742.db2.gz OQNGJXKTFURZDF-ZDUSSCGKSA-N -1 0 319.361 -0.129 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC001333335643 808046772 /nfs/dbraw/zinc/04/67/72/808046772.db2.gz OQNGJXKTFURZDF-CYBMUJFWSA-N -1 0 319.361 -0.129 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000935594463 808051012 /nfs/dbraw/zinc/05/10/12/808051012.db2.gz REZGUJVKUOAPBO-MJBXVCDLSA-N -1 0 314.382 -0.050 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@H](CO)O[C@@H](C)C2)cc1=O ZINC000935583521 808051060 /nfs/dbraw/zinc/05/10/60/808051060.db2.gz ZTXPSFFVWQUPER-WCQYABFASA-N -1 0 311.382 -0.017 20 0 DBADRM COCCCO[N-]C(=O)CN1CCC[C@@H](C(=O)OC)C1=O ZINC000935966453 808062165 /nfs/dbraw/zinc/06/21/65/808062165.db2.gz QKTYMJUOKHRMEY-SNVBAGLBSA-N -1 0 302.327 -0.518 20 0 DBADRM COc1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001038259413 815170982 /nfs/dbraw/zinc/17/09/82/815170982.db2.gz XRLIOASSHQVIQB-QMMMGPOBSA-N -1 0 319.325 -0.687 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@H](SC)C(C)(C)C ZINC001333512157 808069841 /nfs/dbraw/zinc/06/98/41/808069841.db2.gz VHXOWRBGBYYRHS-QMMMGPOBSA-N -1 0 305.400 -0.326 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)[N-]OCC2CCC2)cn1 ZINC001333515337 808070492 /nfs/dbraw/zinc/07/04/92/808070492.db2.gz FUQWOECTIZMGEF-UHFFFAOYSA-N -1 0 323.353 -0.242 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CCO)C[C@H]1C1CC1 ZINC001333610417 808080864 /nfs/dbraw/zinc/08/08/64/808080864.db2.gz HLDKYTQFCVRNAW-FRRDWIJNSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCSCCCO ZINC001333721137 808091710 /nfs/dbraw/zinc/09/17/10/808091710.db2.gz DDHLRHDGQFETKM-UHFFFAOYSA-N -1 0 311.367 -0.697 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)NCCCN2CCOCC2)CCSC1 ZINC001334182139 808138949 /nfs/dbraw/zinc/13/89/49/808138949.db2.gz KAGGMPRDHRWSGS-CYBMUJFWSA-N -1 0 317.411 -0.032 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC001334243665 808145814 /nfs/dbraw/zinc/14/58/14/808145814.db2.gz JPNPXVGXQKETQK-ZJUUUORDSA-N -1 0 301.343 -0.756 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCC1(CSC)CC1 ZINC001334330227 808153648 /nfs/dbraw/zinc/15/36/48/808153648.db2.gz KGSZFMPHXILBDI-UHFFFAOYSA-N -1 0 303.384 -0.570 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H]2CCNC2=O)ccc1[O-] ZINC001334403986 808160821 /nfs/dbraw/zinc/16/08/21/808160821.db2.gz CGSUQRWNLVXNAX-QMMMGPOBSA-N -1 0 313.335 -0.625 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C2=COCCO2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947004379 808162337 /nfs/dbraw/zinc/16/23/37/808162337.db2.gz AQWQISHHHZAYCF-UWVGGRQHSA-N -1 0 323.353 -0.132 20 0 DBADRM C[C@@H]1CN(C(=O)C2CCC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000947043071 808168051 /nfs/dbraw/zinc/16/80/51/808168051.db2.gz UTAVTNCZEXYTEW-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1cc(CCNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)nn1C ZINC001334483519 808169739 /nfs/dbraw/zinc/16/97/39/808169739.db2.gz JTADBIXUZDSGCU-LLVKDONJSA-N -1 0 310.354 -0.528 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1Cc2ccccc2C[C@H]1C ZINC001334510812 808174165 /nfs/dbraw/zinc/17/41/65/808174165.db2.gz MOUDHMHJTFGDQA-SNVBAGLBSA-N -1 0 305.334 -0.246 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001334530361 808175497 /nfs/dbraw/zinc/17/54/97/808175497.db2.gz IBMRBLZWTOEBGH-MWLCHTKSSA-N -1 0 310.358 -0.256 20 0 DBADRM NC(=O)NCCNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001334550094 808177338 /nfs/dbraw/zinc/17/73/38/808177338.db2.gz POCUAXHFPMDYPT-UHFFFAOYSA-N -1 0 322.243 -0.144 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)Cc2cc[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947148687 808178682 /nfs/dbraw/zinc/17/86/82/808178682.db2.gz SMJAWHXQUHVEFI-NXEZZACHSA-N -1 0 319.369 -0.055 20 0 DBADRM CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000947155082 808179025 /nfs/dbraw/zinc/17/90/25/808179025.db2.gz GXVRLFASNMMVDH-RKDXNWHRSA-N -1 0 311.342 -0.548 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)[N-]OCC1CCC1 ZINC001334576898 808179682 /nfs/dbraw/zinc/17/96/82/808179682.db2.gz CQKNYGKPXGOERC-UHFFFAOYSA-N -1 0 315.351 -0.297 20 0 DBADRM O=C([N-]OCCC(F)(F)F)C(=O)NCCN1CCNC1=O ZINC001334704177 808192903 /nfs/dbraw/zinc/19/29/03/808192903.db2.gz CJJMVSHZDNEALV-UHFFFAOYSA-N -1 0 312.248 -0.872 20 0 DBADRM CCOCCOCCN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001334715626 808194276 /nfs/dbraw/zinc/19/42/76/808194276.db2.gz AHDXQHDQFICGDY-OAHLLOKOSA-N -1 0 316.398 -0.099 20 0 DBADRM O=C(NC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1)C1CC1 ZINC000947577685 808205328 /nfs/dbraw/zinc/20/53/28/808205328.db2.gz XZTRQFBRFQYZHN-UHFFFAOYSA-N -1 0 307.310 -0.586 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947633184 808209109 /nfs/dbraw/zinc/20/91/09/808209109.db2.gz IVBTXCFFDLRKIK-OQEOFVATSA-N -1 0 321.381 -0.128 20 0 DBADRM CC1(C(=O)NC2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)CC1 ZINC000947658953 808212422 /nfs/dbraw/zinc/21/24/22/808212422.db2.gz BHGQSAAPRYQHSO-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM C/C(=C/C(=O)N1CCOC[C@@H]1CC(=O)[O-])CN1CCOCC1 ZINC001334980988 808219488 /nfs/dbraw/zinc/21/94/88/808219488.db2.gz MZRBRJIHIWNFCH-FSBNRTBOSA-N -1 0 312.366 -0.033 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nn1C ZINC001335112521 808238436 /nfs/dbraw/zinc/23/84/36/808238436.db2.gz KZQAWFOVZPWVBN-IONNQARKSA-N -1 0 309.326 -0.369 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC001335141536 808243439 /nfs/dbraw/zinc/24/34/39/808243439.db2.gz BMPJBYRKSKTFAA-LBPRGKRZSA-N -1 0 305.334 -0.204 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC=C(C(F)(F)F)CC1 ZINC001335144190 808243914 /nfs/dbraw/zinc/24/39/14/808243914.db2.gz LBKVWDWIMXGTFG-UHFFFAOYSA-N -1 0 309.244 -0.499 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCN(C(=O)c3cnon3)CC2)c1[O-] ZINC000947958789 808244525 /nfs/dbraw/zinc/24/45/25/808244525.db2.gz WKKXSVSNFUJWGL-UHFFFAOYSA-N -1 0 320.309 -0.159 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001335213890 808255403 /nfs/dbraw/zinc/25/54/03/808255403.db2.gz QOARBDORXKURMU-GHMZBOCLSA-N -1 0 302.327 -0.867 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC001335378414 808283207 /nfs/dbraw/zinc/28/32/07/808283207.db2.gz FSMDDFUSXOMHIN-VXGBXAGGSA-N -1 0 311.382 -0.280 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001335431406 808287343 /nfs/dbraw/zinc/28/73/43/808287343.db2.gz JBWOJEXIMJINET-ONEGZZNKSA-N -1 0 316.335 -0.001 20 0 DBADRM CC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@H]1NC(C)=O ZINC000948492825 808290582 /nfs/dbraw/zinc/29/05/82/808290582.db2.gz RYUHRESWUUKRPG-DTWKUNHWSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC001335466240 808291601 /nfs/dbraw/zinc/29/16/01/808291601.db2.gz SYNZOENPUMJHFL-ZETOZRRWSA-N -1 0 309.366 -0.480 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC001335575794 808299129 /nfs/dbraw/zinc/29/91/29/808299129.db2.gz JLAUMNBQVZSQMM-LLVKDONJSA-N -1 0 309.297 -0.277 20 0 DBADRM Cn1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)ccc1=O ZINC001038446332 815193331 /nfs/dbraw/zinc/19/33/31/815193331.db2.gz QGKPVWBTFUTHDG-SNVBAGLBSA-N -1 0 318.337 -0.787 20 0 DBADRM CCN1C[C@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1=O ZINC000948619863 808307554 /nfs/dbraw/zinc/30/75/54/808307554.db2.gz TZBRECAIDWVZBK-SNVBAGLBSA-N -1 0 322.369 -0.977 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C1CCC1 ZINC000948616551 808307900 /nfs/dbraw/zinc/30/79/00/808307900.db2.gz LZLKGSWYFWXRQP-MRVPVSSYSA-N -1 0 307.310 -0.586 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C1CCCC1 ZINC000948626834 808308548 /nfs/dbraw/zinc/30/85/48/808308548.db2.gz BTGMMPPVPKCBFB-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC001335691189 808311261 /nfs/dbraw/zinc/31/12/61/808311261.db2.gz KEOSBRMKRBKPTQ-DAAZQVBGSA-N -1 0 324.377 -0.071 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001336094112 808341711 /nfs/dbraw/zinc/34/17/11/808341711.db2.gz DXXOVDLVOYZSBB-NSHDSACASA-N -1 0 310.358 -0.396 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCc2cccc(OC)c2C1 ZINC001336097449 808342425 /nfs/dbraw/zinc/34/24/25/808342425.db2.gz RGEWMGZKQFMBHL-UHFFFAOYSA-N -1 0 318.337 -0.078 20 0 DBADRM COCCOCCN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001336205404 808353552 /nfs/dbraw/zinc/35/35/52/808353552.db2.gz TZMMXBHGBIIGLI-VXGBXAGGSA-N -1 0 300.355 -0.486 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC001336300095 808360241 /nfs/dbraw/zinc/36/02/41/808360241.db2.gz IMLGMEUPIHJQEA-VXGBXAGGSA-N -1 0 309.366 -0.183 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CCOC2)c1[O-] ZINC000949027909 808377305 /nfs/dbraw/zinc/37/73/05/808377305.db2.gz PQTFDMZHNXTCML-NXEZZACHSA-N -1 0 308.338 -0.209 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC(=O)N1 ZINC000949029340 808378102 /nfs/dbraw/zinc/37/81/02/808378102.db2.gz FRSKGDMHHUYNLW-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@@H]1CC[C@H](CN2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)O1 ZINC000949111209 808395540 /nfs/dbraw/zinc/39/55/40/808395540.db2.gz IRDCBMYTZMOZFA-NXEZZACHSA-N -1 0 323.353 -0.392 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1F ZINC001336888161 808422543 /nfs/dbraw/zinc/42/25/43/808422543.db2.gz CBUPAUDOITUDJG-UHFFFAOYSA-N -1 0 322.256 -0.620 20 0 DBADRM C/C=C(\C)C(=O)N(C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001337108308 808437205 /nfs/dbraw/zinc/43/72/05/808437205.db2.gz LGEQEVPLODOHKZ-IVGLGHLBSA-N -1 0 309.326 -0.174 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001038539756 815206488 /nfs/dbraw/zinc/20/64/88/815206488.db2.gz QQHNCTUEGGFDPG-JYMMUIJESA-N -1 0 319.365 -0.376 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)Cc2cnoc2)c1[O-] ZINC000949400956 808454243 /nfs/dbraw/zinc/45/42/43/808454243.db2.gz QXCXBWSDYBSBJJ-JTQLQIEISA-N -1 0 319.321 -0.015 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCOC2)c1[O-] ZINC000949426855 808458730 /nfs/dbraw/zinc/45/87/30/808458730.db2.gz SEOOYMNSXIQLCT-ZJUUUORDSA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2cc[nH]n2)c1[O-] ZINC000949426727 808458975 /nfs/dbraw/zinc/45/89/75/808458975.db2.gz QZECAGSLOXEAJY-MRVPVSSYSA-N -1 0 304.310 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2cn(C)nn2)c1[O-] ZINC000949427067 808459807 /nfs/dbraw/zinc/45/98/07/808459807.db2.gz VDCNXBLUIHFPPZ-MRVPVSSYSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)Cn2cncn2)c1[O-] ZINC000949430927 808459908 /nfs/dbraw/zinc/45/99/08/808459908.db2.gz QWKVVOGWTGTCPQ-VIFPVBQESA-N -1 0 319.325 -0.954 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2ccncn2)c1[O-] ZINC000949436562 808461189 /nfs/dbraw/zinc/46/11/89/808461189.db2.gz YVCAWGXVLBDSKZ-SECBINFHSA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2csnn2)c1[O-] ZINC000949435657 808461620 /nfs/dbraw/zinc/46/16/20/808461620.db2.gz SARLDGFGEAHSAJ-ZETCQYMHSA-N -1 0 322.350 -0.080 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCc2c(cccc2OC)C1 ZINC001337574805 808469410 /nfs/dbraw/zinc/46/94/10/808469410.db2.gz BVBXZCDZTIBLOW-UHFFFAOYSA-N -1 0 318.337 -0.078 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC=CCC2)c1[O-] ZINC001337611613 808474685 /nfs/dbraw/zinc/47/46/85/808474685.db2.gz SUTXRQVHPGGJNJ-MNOVXSKESA-N -1 0 322.365 -0.013 20 0 DBADRM CC(=O)N1CCC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000949577423 808489375 /nfs/dbraw/zinc/48/93/75/808489375.db2.gz WLJIVWCAQNTKDR-JTQLQIEISA-N -1 0 318.337 -0.802 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000949635032 808501204 /nfs/dbraw/zinc/50/12/04/808501204.db2.gz ZTIODJTVZGHPSG-SECBINFHSA-N -1 0 309.326 -0.794 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2cn(C)nn2)c1[O-] ZINC000949718044 808522751 /nfs/dbraw/zinc/52/27/51/808522751.db2.gz DXUGVPFBWNMURX-QMMMGPOBSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2ncn(C)n2)c1[O-] ZINC000949744355 808530350 /nfs/dbraw/zinc/53/03/50/808530350.db2.gz WSHLFNJDSXZIIV-QMMMGPOBSA-N -1 0 319.325 -0.803 20 0 DBADRM COCCCS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC001338386855 808538003 /nfs/dbraw/zinc/53/80/03/808538003.db2.gz BWNYGMPQNISZDR-DTWKUNHWSA-N -1 0 308.356 -0.997 20 0 DBADRM COCCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC001338386857 808538122 /nfs/dbraw/zinc/53/81/22/808538122.db2.gz BWNYGMPQNISZDR-RKDXNWHRSA-N -1 0 308.356 -0.997 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2ncc[nH]2)c1[O-] ZINC000949827283 808549496 /nfs/dbraw/zinc/54/94/96/808549496.db2.gz GYICVFMHIYBKBZ-MRVPVSSYSA-N -1 0 304.310 -0.209 20 0 DBADRM Cc1ncc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1C ZINC000949859362 808554982 /nfs/dbraw/zinc/55/49/82/808554982.db2.gz OQGADCVELXDMTA-UHFFFAOYSA-N -1 0 305.342 -0.490 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(CC(=O)N2CCC2)C1 ZINC000949900564 808561659 /nfs/dbraw/zinc/56/16/59/808561659.db2.gz NPJIBJSOYCGPFF-UHFFFAOYSA-N -1 0 321.381 -0.198 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(Cc2cnn(C)n2)C1 ZINC000949900867 808561893 /nfs/dbraw/zinc/56/18/93/808561893.db2.gz RCDMITASIHLBIE-UHFFFAOYSA-N -1 0 319.369 -0.101 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC001338723405 808564302 /nfs/dbraw/zinc/56/43/02/808564302.db2.gz HEBGULSHPGNUJH-UHFFFAOYSA-N -1 0 320.349 -0.310 20 0 DBADRM CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC001338723278 808564586 /nfs/dbraw/zinc/56/45/86/808564586.db2.gz DLRTZCFVONBMHW-UHFFFAOYSA-N -1 0 322.321 -0.185 20 0 DBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)[N-]OC[C@@H]1CCOC1 ZINC001338845789 808569503 /nfs/dbraw/zinc/56/95/03/808569503.db2.gz MGKUCKZGCCYVOI-ZJUUUORDSA-N -1 0 309.409 -0.009 20 0 DBADRM NC(=O)c1ccc(CC(=O)NCCCc2n[nH]c(=O)[n-]2)cc1 ZINC001338997280 808575441 /nfs/dbraw/zinc/57/54/41/808575441.db2.gz ALSNRBUWAMUSLB-UHFFFAOYSA-N -1 0 303.322 -0.099 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)C1CC1)c1c[n-]n2c1nccc2=O ZINC000950042245 808580781 /nfs/dbraw/zinc/58/07/81/808580781.db2.gz JARSEMYQGKXETF-JTQLQIEISA-N -1 0 315.333 -0.237 20 0 DBADRM CCN(C(=O)c1n[nH]cc1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950044475 808580784 /nfs/dbraw/zinc/58/07/84/808580784.db2.gz JDLQCFSIJSORHO-UHFFFAOYSA-N -1 0 305.342 -0.112 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC001339485235 808591497 /nfs/dbraw/zinc/59/14/97/808591497.db2.gz ZYAJPOCYKVSPQS-UHFFFAOYSA-N -1 0 316.335 -0.277 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC001339481187 808591690 /nfs/dbraw/zinc/59/16/90/808591690.db2.gz GLBJDLLMLSAYPZ-NSHDSACASA-N -1 0 312.326 -0.305 20 0 DBADRM COCc1cc(NC(=O)C(=O)[N-]OCCSC)ncn1 ZINC001339724296 808600545 /nfs/dbraw/zinc/60/05/45/808600545.db2.gz MZQHDLQCYZNBCJ-UHFFFAOYSA-N -1 0 300.340 -0.028 20 0 DBADRM CC1(C)CO[C@@H](CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC001339804183 808604490 /nfs/dbraw/zinc/60/44/90/808604490.db2.gz RHKZPEWJJRBJMV-SNVBAGLBSA-N -1 0 313.354 -0.260 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)CC(N)=O)C2)c1[O-] ZINC000950254451 808620222 /nfs/dbraw/zinc/62/02/22/808620222.db2.gz UXESSBGVOKIKLZ-MRVPVSSYSA-N -1 0 309.326 -0.980 20 0 DBADRM C/C=C(\C)C(=O)N1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000950344628 808634497 /nfs/dbraw/zinc/63/44/97/808634497.db2.gz SXQBWCLSZTYGHS-OTVCUZDGSA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@@H]1CN(C(=O)NCCOCCOCC(=O)[O-])CCCO1 ZINC001340568461 808643288 /nfs/dbraw/zinc/64/32/88/808643288.db2.gz BYLVJPBCTWJWOK-LLVKDONJSA-N -1 0 304.343 -0.075 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H](C)c1nnc2ccccn21 ZINC001340563980 808643480 /nfs/dbraw/zinc/64/34/80/808643480.db2.gz NQRMENWFDKRNKI-JTQLQIEISA-N -1 0 321.337 -0.009 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCC[C@@H]2COC[C@@H]21 ZINC001340570023 808644188 /nfs/dbraw/zinc/64/41/88/808644188.db2.gz PXTNSFXXORGKNM-NEPJUHHUSA-N -1 0 316.354 -0.075 20 0 DBADRM C[C@@H]1[C@H](C)OCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001340569344 808644269 /nfs/dbraw/zinc/64/42/69/808644269.db2.gz KCFUJJRRHZAWKW-MNOVXSKESA-N -1 0 304.343 -0.077 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCc2cc(C)ccc21 ZINC001340937292 808664526 /nfs/dbraw/zinc/66/45/26/808664526.db2.gz VVBAHBKIPNYHMG-LBPRGKRZSA-N -1 0 305.334 -0.108 20 0 DBADRM CCN(C(=O)c1[nH]c(=O)[nH]c1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950572022 808676265 /nfs/dbraw/zinc/67/62/65/808676265.db2.gz ZLBPFMLPYKVIMF-UHFFFAOYSA-N -1 0 321.341 -0.406 20 0 DBADRM C[C@]12COC[C@@H]1CN(C(=O)NCCOCCOCC(=O)[O-])C2 ZINC001341329052 808679711 /nfs/dbraw/zinc/67/97/11/808679711.db2.gz PDIBHELLYDYCFE-FZMZJTMJSA-N -1 0 316.354 -0.218 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1ccc(Cn2cncn2)cc1 ZINC001341389973 808682069 /nfs/dbraw/zinc/68/20/69/808682069.db2.gz AUOOJIORVGSPJR-UHFFFAOYSA-N -1 0 300.278 -0.067 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001341431604 808684877 /nfs/dbraw/zinc/68/48/77/808684877.db2.gz HGXDZEJDCPNOQX-LMLFDSFASA-N -1 0 313.354 -0.263 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC001341449193 808685674 /nfs/dbraw/zinc/68/56/74/808685674.db2.gz HKUPDUNBEUHVEB-PHIMTYICSA-N -1 0 302.327 -0.323 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001341453802 808685903 /nfs/dbraw/zinc/68/59/03/808685903.db2.gz YDDWXJGISYSVKP-NEPJUHHUSA-N -1 0 316.354 -0.075 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCCO[C@@H]2CCOC2)C1 ZINC001341448877 808686028 /nfs/dbraw/zinc/68/60/28/808686028.db2.gz FOONEDYLGIPFPW-RISCZKNCSA-N -1 0 316.354 -0.075 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCCO[C@H]2CCOC2)C1 ZINC001341448875 808686104 /nfs/dbraw/zinc/68/61/04/808686104.db2.gz FOONEDYLGIPFPW-FZMZJTMJSA-N -1 0 316.354 -0.075 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001341547387 808689489 /nfs/dbraw/zinc/68/94/89/808689489.db2.gz NCBAWEOMSRCIFJ-UMSPYCQHSA-N -1 0 323.324 -0.018 20 0 DBADRM CCN(C(=O)[C@H]1CO[C@H](C)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950666273 808691366 /nfs/dbraw/zinc/69/13/66/808691366.db2.gz FUARKRQQITXRDN-NXEZZACHSA-N -1 0 309.370 -0.032 20 0 DBADRM C[C@H](C(=O)NCc1nc(=O)o[n-]1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001341588184 808691364 /nfs/dbraw/zinc/69/13/64/808691364.db2.gz VGSHPEMFSQPTRI-VGMNWLOBSA-N -1 0 322.321 -0.457 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCSC(C)(C)C1 ZINC001341631187 808692835 /nfs/dbraw/zinc/69/28/35/808692835.db2.gz QZVZGTZXCRCHJE-SECBINFHSA-N -1 0 317.411 -0.039 20 0 DBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)c1C ZINC001341985875 808709795 /nfs/dbraw/zinc/70/97/95/808709795.db2.gz QBLLGYJAICYGLC-JTQLQIEISA-N -1 0 324.337 -0.500 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001342030282 808712606 /nfs/dbraw/zinc/71/26/06/808712606.db2.gz PUMZFZRQBFQKDC-PRJMDXOYSA-N -1 0 305.281 -0.670 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCCc2ccccc2C1 ZINC001342030573 808712651 /nfs/dbraw/zinc/71/26/51/808712651.db2.gz SQMPFBCTLOPLLE-ZDUSSCGKSA-N -1 0 319.361 -0.156 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC([C@H]2CCOC2)CC1 ZINC001342030920 808712707 /nfs/dbraw/zinc/71/27/07/808712707.db2.gz WGAHHHNNLKGBNG-NSHDSACASA-N -1 0 313.354 -0.945 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1Cc2cccc(Cl)c2C1 ZINC001342029325 808712743 /nfs/dbraw/zinc/71/27/43/808712743.db2.gz FYQNGDKBNWINGF-UHFFFAOYSA-N -1 0 311.725 -0.024 20 0 DBADRM Cc1cc(C[C@H](C)NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)[nH]n1 ZINC001342233429 808721060 /nfs/dbraw/zinc/72/10/60/808721060.db2.gz YDDUZOHBEHSBDE-GXSJLCMTSA-N -1 0 310.354 -0.150 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1cccc2c1OCCO2 ZINC001342367116 808726706 /nfs/dbraw/zinc/72/67/06/808726706.db2.gz FKSXFPHKQKYQST-UHFFFAOYSA-N -1 0 310.306 -0.232 20 0 DBADRM CCN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(C[C@@H](C)O)C1 ZINC000951120439 808769735 /nfs/dbraw/zinc/76/97/35/808769735.db2.gz QHKTZPZNUIKGNB-SECBINFHSA-N -1 0 310.354 -0.987 20 0 DBADRM CCC1(C(=O)N2CC[C@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000951298428 808794908 /nfs/dbraw/zinc/79/49/08/808794908.db2.gz YHCTVWQEZTVZET-QMMMGPOBSA-N -1 0 321.337 -0.196 20 0 DBADRM CC[C@@H](F)C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951300508 808795640 /nfs/dbraw/zinc/79/56/40/808795640.db2.gz RZMHEVQKEBNYOM-NKWVEPMBSA-N -1 0 313.289 -0.638 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)c3cn[nH]n3)C2)c1[O-] ZINC000951309624 808797386 /nfs/dbraw/zinc/79/73/86/808797386.db2.gz IGHYAQCOKSHNRZ-MRVPVSSYSA-N -1 0 319.325 -0.424 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951450760 808820323 /nfs/dbraw/zinc/82/03/23/808820323.db2.gz IMAGQVYXNQXIBN-FWAPLPHYSA-N -1 0 320.349 -0.217 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951478095 808831781 /nfs/dbraw/zinc/83/17/81/808831781.db2.gz BXJFHFUCIOZWDS-BWZBUEFSSA-N -1 0 307.310 -0.731 20 0 DBADRM CO[C@@H](C)CN1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC000951550555 808842676 /nfs/dbraw/zinc/84/26/76/808842676.db2.gz RJNGLUMCNSPHBT-NSHDSACASA-N -1 0 319.365 -0.185 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000951601432 808858537 /nfs/dbraw/zinc/85/85/37/808858537.db2.gz ACRVVSDANJVITB-CIUDSAMLSA-N -1 0 309.326 -0.938 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000951661578 808876277 /nfs/dbraw/zinc/87/62/77/808876277.db2.gz PSDYVOIIKBUNEJ-CIUDSAMLSA-N -1 0 321.337 -0.340 20 0 DBADRM CC1(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCOCC1 ZINC000951765629 808895370 /nfs/dbraw/zinc/89/53/70/808895370.db2.gz MURKPGXLPHWWPB-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM CC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000952443059 808990790 /nfs/dbraw/zinc/99/07/90/808990790.db2.gz SRGOMGNGJFESLX-PBINXNQUSA-N -1 0 321.337 -0.055 20 0 DBADRM CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([O-])n(C)c1=O ZINC000952571077 808995982 /nfs/dbraw/zinc/99/59/82/808995982.db2.gz FKHJAHDYGSCLJM-MNOVXSKESA-N -1 0 320.349 -0.289 20 0 DBADRM Cc1ncc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)c(C)n1 ZINC001038822223 815253056 /nfs/dbraw/zinc/25/30/56/815253056.db2.gz GYOHDFYDEKFANI-SNVBAGLBSA-N -1 0 317.353 -0.079 20 0 DBADRM CC(=O)N1CC[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC000953227429 809025342 /nfs/dbraw/zinc/02/53/42/809025342.db2.gz PQTJIGKOTRYENL-CMPLNLGQSA-N -1 0 320.349 -0.431 20 0 DBADRM CC(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000953245453 809026823 /nfs/dbraw/zinc/02/68/23/809026823.db2.gz YJRJTKWBZZJOFD-NXEZZACHSA-N -1 0 309.326 -0.841 20 0 DBADRM CC(=O)N1CC[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000953416397 809041176 /nfs/dbraw/zinc/04/11/76/809041176.db2.gz UAJKRUMSRIBVDM-DTWKUNHWSA-N -1 0 307.310 -0.634 20 0 DBADRM CC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000953496710 809052548 /nfs/dbraw/zinc/05/25/48/809052548.db2.gz YSJNXAJOPZCGPZ-VXNVDRBHSA-N -1 0 309.326 -0.198 20 0 DBADRM CN(C(=O)c1ccc[nH]1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000953716959 809076249 /nfs/dbraw/zinc/07/62/49/809076249.db2.gz LWJCNAVKZQBASH-UHFFFAOYSA-N -1 0 320.309 -1.000 20 0 DBADRM CN(C(=O)c1ccoc1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000953727164 809077239 /nfs/dbraw/zinc/07/72/39/809077239.db2.gz RKRCBMLVWUASTR-UHFFFAOYSA-N -1 0 319.277 -0.528 20 0 DBADRM COc1cccc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001038876120 815262099 /nfs/dbraw/zinc/26/20/99/815262099.db2.gz KCBIXUUESNFDDD-SECBINFHSA-N -1 0 318.337 -0.082 20 0 DBADRM C[C@@H](C(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000953982654 809142623 /nfs/dbraw/zinc/14/26/23/809142623.db2.gz BVGDNWZHGMJGIG-MRVPVSSYSA-N -1 0 323.353 -0.595 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3cnns3)C2)c1[O-] ZINC000954068802 809154600 /nfs/dbraw/zinc/15/46/00/809154600.db2.gz SMGAFAJVZIHYTE-UHFFFAOYSA-N -1 0 322.350 -0.128 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3ccnnc3)C2)c1[O-] ZINC000954071024 809155819 /nfs/dbraw/zinc/15/58/19/809155819.db2.gz CVCHUTLOCHTKMT-UHFFFAOYSA-N -1 0 316.321 -0.190 20 0 DBADRM CCC(=O)N1CCC(N(C)C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000954128385 809168360 /nfs/dbraw/zinc/16/83/60/809168360.db2.gz AQIOFIKZNQZEEU-UHFFFAOYSA-N -1 0 322.365 -0.041 20 0 DBADRM CN(C(=O)c1cc[nH]c1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954479146 809240014 /nfs/dbraw/zinc/24/00/14/809240014.db2.gz JJIOSSWWVMDWKE-UHFFFAOYSA-N -1 0 318.293 -0.793 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cnn2cc[nH]c12 ZINC001038964455 815273297 /nfs/dbraw/zinc/27/32/97/815273297.db2.gz RERDQRRIJHNYNP-MRVPVSSYSA-N -1 0 316.325 -0.510 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954876981 809304357 /nfs/dbraw/zinc/30/43/57/809304357.db2.gz IUXCUDFEDYOGJU-YUMQZZPRSA-N -1 0 321.337 -0.388 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)CC2CCC2)C1 ZINC000954876673 809304658 /nfs/dbraw/zinc/30/46/58/809304658.db2.gz DUXQWJOVAINIDQ-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)CC2(C)CC2)C1 ZINC000954877351 809305058 /nfs/dbraw/zinc/30/50/58/809305058.db2.gz TYGJPEMXJWPVCF-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)c2ccoc2)C1 ZINC000954877522 809305086 /nfs/dbraw/zinc/30/50/86/809305086.db2.gz XKERSKVNECVRPF-UHFFFAOYSA-N -1 0 319.277 -0.528 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)/C=C\C2CC2)C1 ZINC000954933601 809311425 /nfs/dbraw/zinc/31/14/25/809311425.db2.gz DWJXVBPZQSDEHE-PLNGDYQASA-N -1 0 321.337 -0.675 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C2CC=CC2)C1 ZINC000954933598 809311799 /nfs/dbraw/zinc/31/17/99/809311799.db2.gz DTRRTPJKXZMRPA-UHFFFAOYSA-N -1 0 321.337 -0.675 20 0 DBADRM CC[C@@H](F)C(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954939077 809312556 /nfs/dbraw/zinc/31/25/56/809312556.db2.gz UAKOCANJUVTPBY-MRVPVSSYSA-N -1 0 315.305 -0.893 20 0 DBADRM CCC(=O)N1CC(N(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000955013915 809332188 /nfs/dbraw/zinc/33/21/88/809332188.db2.gz CCBCJZNPCDKUFP-UHFFFAOYSA-N -1 0 318.337 -0.850 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3ncccn3)C2)c1[O-] ZINC000955094306 809354607 /nfs/dbraw/zinc/35/46/07/809354607.db2.gz QNWACALYHCZKPQ-UHFFFAOYSA-N -1 0 316.321 -0.190 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3n[nH]cc3F)C2)c1[O-] ZINC000955228995 809382058 /nfs/dbraw/zinc/38/20/58/809382058.db2.gz JPSXPTOHSLDWLH-UHFFFAOYSA-N -1 0 322.300 -0.117 20 0 DBADRM CN(C(=O)C(C)(C)C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000955268424 809386620 /nfs/dbraw/zinc/38/66/20/809386620.db2.gz HKUROTUNDBYXIP-UHFFFAOYSA-N -1 0 311.342 -0.595 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000955449925 809419094 /nfs/dbraw/zinc/41/90/94/809419094.db2.gz UMCQMUWOEXVCCR-SFYZADRCSA-N -1 0 309.326 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)[C@H](C)C2)c1[O-] ZINC000955592032 809426265 /nfs/dbraw/zinc/42/62/65/809426265.db2.gz HGVLSSZKVOZIGR-APPZFPTMSA-N -1 0 323.353 -0.592 20 0 DBADRM CC(=O)NC1(C)CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC000956256155 809506278 /nfs/dbraw/zinc/50/62/78/809506278.db2.gz FTAVDJDEWMWSSV-UHFFFAOYSA-N -1 0 323.353 -0.267 20 0 DBADRM C[C@]1(NC(=O)C2CC2)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000956615754 809530915 /nfs/dbraw/zinc/53/09/15/809530915.db2.gz UUAHHTFORBDXLE-ZDUSSCGKSA-N -1 0 307.310 -0.586 20 0 DBADRM CCN(C(=O)[C@H]1CCO[C@@H]1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000957043865 809579717 /nfs/dbraw/zinc/57/97/17/809579717.db2.gz IDKGWXZFNMZARG-KOLCDFICSA-N -1 0 309.370 -0.032 20 0 DBADRM CCN(C(=O)[C@@H]1CCO[C@H]1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000957043864 809579792 /nfs/dbraw/zinc/57/97/92/809579792.db2.gz IDKGWXZFNMZARG-GXSJLCMTSA-N -1 0 309.370 -0.032 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957236118 809608157 /nfs/dbraw/zinc/60/81/57/809608157.db2.gz SUYKUWOQXYVSEC-WFEFGEHDSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(C)C(=O)N1CC[C@](C)(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000957267248 809611457 /nfs/dbraw/zinc/61/14/57/809611457.db2.gz JDMBLCMOQJCVSA-HNNXBMFYSA-N -1 0 322.365 -0.137 20 0 DBADRM CCN(C(=O)c1ccn(C)n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000957388327 809634981 /nfs/dbraw/zinc/63/49/81/809634981.db2.gz XFERPCZZWHRLOR-UHFFFAOYSA-N -1 0 305.342 -0.410 20 0 DBADRM Cc1nc(CN2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)co1 ZINC000957474482 809648015 /nfs/dbraw/zinc/64/80/15/809648015.db2.gz UZZNMGGYFBIRFE-UHFFFAOYSA-N -1 0 322.325 -0.670 20 0 DBADRM CC(=O)N1CC[C@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC000957488085 809649476 /nfs/dbraw/zinc/64/94/76/809649476.db2.gz XZPOSSVQQMRHIQ-NSHDSACASA-N -1 0 322.369 -0.977 20 0 DBADRM Cc1nccn1CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957663304 809664721 /nfs/dbraw/zinc/66/47/21/809664721.db2.gz IDDZKKDQQIRNNS-UHFFFAOYSA-N -1 0 305.342 -0.640 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCCC1 ZINC000957808023 809679275 /nfs/dbraw/zinc/67/92/75/809679275.db2.gz NIJXLFCFQKLRID-MNOVXSKESA-N -1 0 309.370 -0.391 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cccnc1 ZINC000957811776 809680203 /nfs/dbraw/zinc/68/02/03/809680203.db2.gz KPSFFMYQOLQZSR-GHMZBOCLSA-N -1 0 318.337 -0.872 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)no1 ZINC000957848360 809690560 /nfs/dbraw/zinc/69/05/60/809690560.db2.gz XWTOIACGQPCTEN-SCZZXKLOSA-N -1 0 322.325 -0.971 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3[C@H](C)C(N)=O)c1[O-] ZINC001039545683 815312866 /nfs/dbraw/zinc/31/28/66/815312866.db2.gz MCTDGIWDXKBVFB-MXWKQRLJSA-N -1 0 321.381 -0.024 20 0 DBADRM Cc1occc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000957852393 809691279 /nfs/dbraw/zinc/69/12/79/809691279.db2.gz XEWKEBIPZCBPES-GXSJLCMTSA-N -1 0 321.337 -0.366 20 0 DBADRM Cc1ncoc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000957965656 809730034 /nfs/dbraw/zinc/73/00/34/809730034.db2.gz MAACHEOWQQVPEV-DTWKUNHWSA-N -1 0 322.325 -0.971 20 0 DBADRM Cn1ccc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1 ZINC000957974662 809731848 /nfs/dbraw/zinc/73/18/48/809731848.db2.gz HGXLSSPWPUPORV-QWRGUYRKSA-N -1 0 320.353 -0.929 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(Cc3cnon3)C[C@@H]2O)c1[O-] ZINC000957985569 809735649 /nfs/dbraw/zinc/73/56/49/809735649.db2.gz IPMQQCDQEGTLRU-WPRPVWTQSA-N -1 0 322.325 -0.971 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)co1 ZINC000958015660 809743038 /nfs/dbraw/zinc/74/30/38/809743038.db2.gz NQYUUVHXXXCCLS-MNOVXSKESA-N -1 0 321.337 -0.366 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cc[nH]c1 ZINC000958085771 809764335 /nfs/dbraw/zinc/76/43/35/809764335.db2.gz JOXCGGCOGPXDGJ-NXEZZACHSA-N -1 0 306.326 -0.939 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cc[n+]([O-])cc1 ZINC000958163740 809790695 /nfs/dbraw/zinc/79/06/95/809790695.db2.gz CAWCKHFTMNIHPR-IAZYJMLFSA-N -1 0 316.321 -0.996 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccsn1 ZINC000958175241 809794222 /nfs/dbraw/zinc/79/42/22/809794222.db2.gz KVQBLRYMAXWHEX-CBAPKCEASA-N -1 0 324.366 -0.811 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)on1 ZINC000958211438 809812724 /nfs/dbraw/zinc/81/27/24/809812724.db2.gz FPIXFFZRCLYJOD-VROVMSAKSA-N -1 0 304.310 -0.333 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cnns1 ZINC000958318372 809858309 /nfs/dbraw/zinc/85/83/09/809858309.db2.gz ABSNZQKRLZGAHY-KPCSLPGQSA-N -1 0 307.339 -0.778 20 0 DBADRM Cc1coc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1 ZINC000958324619 809862604 /nfs/dbraw/zinc/86/26/04/809862604.db2.gz KSLRXHVHXQUCSK-UWVGGRQHSA-N -1 0 321.337 -0.366 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000958339821 809865763 /nfs/dbraw/zinc/86/57/63/809865763.db2.gz NWNVNQQJTGCXFV-MTVMDMGHSA-N -1 0 321.381 -0.535 20 0 DBADRM Cc1nocc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958367014 809880639 /nfs/dbraw/zinc/88/06/39/809880639.db2.gz XSQIKQDEOQNWIH-PSASIEDQSA-N -1 0 322.325 -0.971 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@H]1CCCOC1 ZINC000958387877 809889517 /nfs/dbraw/zinc/88/95/17/809889517.db2.gz OBGHZLYCTQXMRP-UXCLJVHYSA-N -1 0 307.354 -0.517 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@@H]1CCCOC1 ZINC000958387876 809889628 /nfs/dbraw/zinc/88/96/28/809889628.db2.gz OBGHZLYCTQXMRP-SVDPJWKOSA-N -1 0 307.354 -0.517 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC2(CC2)C1 ZINC000958399042 809893611 /nfs/dbraw/zinc/89/36/11/809893611.db2.gz IUIZDPMDSHQQCZ-QWRGUYRKSA-N -1 0 321.381 -0.391 20 0 DBADRM Cc1nn(C)cc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958425054 809906138 /nfs/dbraw/zinc/90/61/38/809906138.db2.gz VKNVGDQJBSQZET-IAZYJMLFSA-N -1 0 317.353 -0.588 20 0 DBADRM Cc1[nH]nc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)c1C ZINC000958428128 809907946 /nfs/dbraw/zinc/90/79/46/809907946.db2.gz UKKYIBBETQRTAG-GDGBQDQQSA-N -1 0 317.353 -0.290 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1nccs1 ZINC000958519950 809949352 /nfs/dbraw/zinc/94/93/52/809949352.db2.gz QVVXVHMNQXTVIY-YUMQZZPRSA-N -1 0 324.366 -0.811 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958572146 809960202 /nfs/dbraw/zinc/96/02/02/809960202.db2.gz DFGNLGZCTQUFBG-SKNMHBRKSA-N -1 0 321.337 -0.990 20 0 DBADRM Cc1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2[nH]nc(C)c2[O-])o1 ZINC000958583020 809966331 /nfs/dbraw/zinc/96/63/31/809966331.db2.gz HNTKRZSTZOWWTD-JZYVYDRUSA-N -1 0 318.337 -0.025 20 0 DBADRM Cc1noc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2[nH]nc(C)c2[O-])n1 ZINC000958584893 809967248 /nfs/dbraw/zinc/96/72/48/809967248.db2.gz VMXTVNICNMVKMB-JZYVYDRUSA-N -1 0 318.337 -0.025 20 0 DBADRM Cc1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2[nH]nc(C)c2[O-])[nH]1 ZINC000958584741 809967612 /nfs/dbraw/zinc/96/76/12/809967612.db2.gz UYOFSBCNOVTNGM-JZYVYDRUSA-N -1 0 317.353 -0.290 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H]3C[C@H]3C)C[C@@H]2O)c1[O-] ZINC000958824694 810040677 /nfs/dbraw/zinc/04/06/77/810040677.db2.gz FWFLEQGSBCVWBG-SNXWAXQRSA-N -1 0 322.365 -0.277 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCN(C(=O)C2CC2)C1 ZINC000959001756 810076030 /nfs/dbraw/zinc/07/60/30/810076030.db2.gz USGBLQRDMDLLOL-CBAPKCEASA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000958987546 810076215 /nfs/dbraw/zinc/07/62/15/810076215.db2.gz NFUJJXSPLVPYCB-PSASIEDQSA-N -1 0 308.338 -0.527 20 0 DBADRM CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000959221528 810086185 /nfs/dbraw/zinc/08/61/85/810086185.db2.gz IHJHYXIXXOXORG-PSASIEDQSA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@H](NC(=O)C1CC1)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000959225233 810086446 /nfs/dbraw/zinc/08/64/46/810086446.db2.gz XHPMJBLHCSQNJJ-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)N1C[C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)[C@H](C)C1 ZINC000959302155 810093585 /nfs/dbraw/zinc/09/35/85/810093585.db2.gz SWYATKQYLFJSAH-MWLCHTKSSA-N -1 0 317.349 -0.133 20 0 DBADRM C[C@@H]1CN(C(=O)C2CC2)C[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000959304797 810094284 /nfs/dbraw/zinc/09/42/84/810094284.db2.gz PLXHWFYUIIVTAO-APPZFPTMSA-N -1 0 321.337 -0.483 20 0 DBADRM CCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000959337508 810096427 /nfs/dbraw/zinc/09/64/27/810096427.db2.gz JYYAZRAAKPAHAM-BDAKNGLRSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1CNC(=O)C1CC1 ZINC000959536453 810108100 /nfs/dbraw/zinc/10/81/00/810108100.db2.gz RFZRCDKDCLOUKM-CBAPKCEASA-N -1 0 321.337 -0.483 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@]12C[C@H]1COC2 ZINC000960000582 810145408 /nfs/dbraw/zinc/14/54/08/810145408.db2.gz GTUOIVSTCZHALS-QWSQGYFDSA-N -1 0 305.338 -0.907 20 0 DBADRM O=C(c1cnon1)N1C[C@H]2CCC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001039948907 815346706 /nfs/dbraw/zinc/34/67/06/815346706.db2.gz TXYXPEUDWZKTTJ-DTORHVGOSA-N -1 0 319.325 -0.228 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H]3CN(C(=O)C4CC4)C[C@@H]32)c1[O-] ZINC000960248282 810163097 /nfs/dbraw/zinc/16/30/97/810163097.db2.gz XEIYDLAVBIVUDF-WDEREUQCSA-N -1 0 320.349 -0.114 20 0 DBADRM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000960364561 810171051 /nfs/dbraw/zinc/17/10/51/810171051.db2.gz FHMKHDMBDKAUCE-CULRXLKQSA-N -1 0 321.381 -0.128 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)c1cc[nH]n1 ZINC000960432715 810175778 /nfs/dbraw/zinc/17/57/78/810175778.db2.gz OWWIAHIWNRHVLR-SECBINFHSA-N -1 0 305.342 -0.030 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)c1cc[nH]n1 ZINC000960432717 810176107 /nfs/dbraw/zinc/17/61/07/810176107.db2.gz OWWIAHIWNRHVLR-VIFPVBQESA-N -1 0 305.342 -0.030 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC000960614195 810187543 /nfs/dbraw/zinc/18/75/43/810187543.db2.gz VTNBIZXXKYWPIU-CMPLNLGQSA-N -1 0 311.386 -0.050 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)c1ncc[nH]1 ZINC000960631890 810189054 /nfs/dbraw/zinc/18/90/54/810189054.db2.gz OZISWYFQKDMCDM-SECBINFHSA-N -1 0 305.342 -0.030 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)c1cn[nH]n1 ZINC000960723042 810193796 /nfs/dbraw/zinc/19/37/96/810193796.db2.gz DIWNEIPWTUHFNB-MRVPVSSYSA-N -1 0 306.330 -0.635 20 0 DBADRM COCC(=O)N1CC[C@@]2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001040029492 815349955 /nfs/dbraw/zinc/34/99/55/815349955.db2.gz OEIHVFCRDZWKOB-AWEZNQCLSA-N -1 0 309.370 -0.029 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC000960783461 810200638 /nfs/dbraw/zinc/20/06/38/810200638.db2.gz MSGDINVPSYGOQD-VIFPVBQESA-N -1 0 320.357 -0.327 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC000960878238 810210354 /nfs/dbraw/zinc/21/03/54/810210354.db2.gz VQWBKQAUVJHFCS-BBBLOLIVSA-N -1 0 322.369 -0.946 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C3CCCC3)[C@@H](O)C2)c1[O-] ZINC000961102625 810230607 /nfs/dbraw/zinc/23/06/07/810230607.db2.gz CGZBOMKARRQGAA-MNOVXSKESA-N -1 0 322.365 -0.085 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1csc(=O)[nH]1 ZINC000961520804 810301114 /nfs/dbraw/zinc/30/11/14/810301114.db2.gz UQQFZWMGBQGDGK-KPCSLPGQSA-N -1 0 322.350 -0.467 20 0 DBADRM O=C(Cc1ncc[nH]1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000962146732 810456410 /nfs/dbraw/zinc/45/64/10/810456410.db2.gz IOSHCIABDLQIHM-JDICNCQASA-N -1 0 303.326 -0.978 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3(C)CCC3)C[C@@H]2O)c1[O-] ZINC000962317445 810505361 /nfs/dbraw/zinc/50/53/61/810505361.db2.gz BYKYIJZKZQYQHA-ZJUUUORDSA-N -1 0 322.365 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3(C)CC3)C[C@@H]2O)c1[O-] ZINC000962319664 810505896 /nfs/dbraw/zinc/50/58/96/810505896.db2.gz NHGUNEDTESNKHB-BDAKNGLRSA-N -1 0 308.338 -0.475 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)C[C@@H]2O)c1[O-] ZINC000962319693 810506010 /nfs/dbraw/zinc/50/60/10/810506010.db2.gz UJELWBSXBWDVGP-QQRDMOCMSA-N -1 0 308.338 -0.619 20 0 DBADRM CCc1cc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)no1 ZINC000962342633 810512031 /nfs/dbraw/zinc/51/20/31/810512031.db2.gz NLVXLPVLIBCYAS-GDGBQDQQSA-N -1 0 318.337 -0.079 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ccc(=O)[nH]c1 ZINC000962451446 810530245 /nfs/dbraw/zinc/53/02/45/810530245.db2.gz QECSCPJCRZCMSH-GDGBQDQQSA-N -1 0 316.321 -0.529 20 0 DBADRM CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cnc([O-])n(C)c1=O ZINC000962513713 810542660 /nfs/dbraw/zinc/54/26/60/810542660.db2.gz OGCGNEBCEFCWNZ-NEPJUHHUSA-N -1 0 320.349 -0.289 20 0 DBADRM CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000962530906 810545013 /nfs/dbraw/zinc/54/50/13/810545013.db2.gz FHQDIFHCDSSAEW-UWVGGRQHSA-N -1 0 309.326 -0.699 20 0 DBADRM CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000962532763 810545318 /nfs/dbraw/zinc/54/53/18/810545318.db2.gz JQHHMBSPJOFOCG-DTWKUNHWSA-N -1 0 307.310 -0.492 20 0 DBADRM CCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000963412189 810626047 /nfs/dbraw/zinc/62/60/47/810626047.db2.gz FMNUPKVADNKILT-IUCAKERBSA-N -1 0 321.337 -0.102 20 0 DBADRM CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000963412813 810626486 /nfs/dbraw/zinc/62/64/86/810626486.db2.gz HCUHIAOELKIYIZ-IUCAKERBSA-N -1 0 307.310 -0.492 20 0 DBADRM CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000963429711 810627049 /nfs/dbraw/zinc/62/70/49/810627049.db2.gz OPSGYPDUUFQZCC-VHSXEESVSA-N -1 0 309.326 -0.699 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)c1[O-] ZINC000963506757 810633149 /nfs/dbraw/zinc/63/31/49/810633149.db2.gz BPRJGZHSWVYHOD-RKDXNWHRSA-N -1 0 321.337 -0.885 20 0 DBADRM CC(=O)N1CCC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC000963618213 810647040 /nfs/dbraw/zinc/64/70/40/810647040.db2.gz RIZCHFOTGHQPTQ-CMPLNLGQSA-N -1 0 320.349 -0.431 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCOC[C@H]2CNC(=O)C2CC2)c1[O-] ZINC000964037836 810676881 /nfs/dbraw/zinc/67/68/81/810676881.db2.gz JDNFSLKNDJQLDE-SNVBAGLBSA-N -1 0 308.338 -0.209 20 0 DBADRM O=C(NC[C@H]1CCCCN1C(=O)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC000964398896 810775142 /nfs/dbraw/zinc/77/51/42/810775142.db2.gz XTKLGCPTZLEZQG-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC000964660006 810793955 /nfs/dbraw/zinc/79/39/55/810793955.db2.gz WQGNOHMVFIHGHA-SNVBAGLBSA-N -1 0 323.353 -0.267 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnn(C)c1 ZINC000965032882 810820453 /nfs/dbraw/zinc/82/04/53/810820453.db2.gz MMYXKVSRXWZUFJ-MWLCHTKSSA-N -1 0 319.369 -0.116 20 0 DBADRM CCC(=O)N1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000965053653 810824715 /nfs/dbraw/zinc/82/47/15/810824715.db2.gz IDLDEKGPHUUXHB-QMMMGPOBSA-N -1 0 309.326 -0.196 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccn[nH]1 ZINC000965328057 810864091 /nfs/dbraw/zinc/86/40/91/810864091.db2.gz UORDKCQIDZQNAK-PSASIEDQSA-N -1 0 305.342 -0.126 20 0 DBADRM CC(=O)N1CCC[C@H](CN(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000965814616 810974259 /nfs/dbraw/zinc/97/42/59/810974259.db2.gz LNQQRTXSXNDUDD-LLVKDONJSA-N -1 0 322.365 -0.184 20 0 DBADRM CNC(=O)CN1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000965915492 810987007 /nfs/dbraw/zinc/98/70/07/810987007.db2.gz CFYMIAKYLVRNJZ-PSASIEDQSA-N -1 0 309.370 -0.390 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cncnc1 ZINC000965935450 810991405 /nfs/dbraw/zinc/99/14/05/810991405.db2.gz FQMUVVBMBLDHLP-KOLCDFICSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ncc[nH]1 ZINC000965999335 811003160 /nfs/dbraw/zinc/00/31/60/811003160.db2.gz BCYCMMBYIQULKV-DTWKUNHWSA-N -1 0 305.342 -0.126 20 0 DBADRM C[C@H]1CN(C(=O)C(F)F)C[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000966017941 811005268 /nfs/dbraw/zinc/00/52/68/811005268.db2.gz JGQIXKIRVDUCQU-WHFBIAKZSA-N -1 0 317.252 -0.875 20 0 DBADRM C[C@@H]1CN(C(=O)C2CC2)C[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000966027340 811006358 /nfs/dbraw/zinc/00/63/58/811006358.db2.gz GIIOYQMMWDBVLK-APPZFPTMSA-N -1 0 309.326 -0.938 20 0 DBADRM CCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000966064830 811010326 /nfs/dbraw/zinc/01/03/26/811010326.db2.gz GXVRLFASNMMVDH-DTWKUNHWSA-N -1 0 311.342 -0.548 20 0 DBADRM C/C=C(\C)C(=O)N1C[C@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000966309067 811050956 /nfs/dbraw/zinc/05/09/56/811050956.db2.gz PNNMYEVPMXWLBJ-GNKRQNHBSA-N -1 0 323.353 -0.381 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NC(=O)c3cnon3)[C@@H](C)C2)c1[O-] ZINC000966338973 811055248 /nfs/dbraw/zinc/05/52/48/811055248.db2.gz LZUOCVNBGSXCGT-RCOVLWMOSA-N -1 0 320.309 -0.303 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cn1nccn1 ZINC000966428271 811072202 /nfs/dbraw/zinc/07/22/02/811072202.db2.gz XQBXEORZPYJIII-UWVGGRQHSA-N -1 0 320.357 -0.871 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cn1nccn1 ZINC000966428273 811073118 /nfs/dbraw/zinc/07/31/18/811073118.db2.gz XQBXEORZPYJIII-ZJUUUORDSA-N -1 0 320.357 -0.871 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC000966586199 811103406 /nfs/dbraw/zinc/10/34/06/811103406.db2.gz WPDIJSDYUGKLBM-OIBJUYFYSA-N -1 0 309.326 -0.802 20 0 DBADRM CC(=O)N[C@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC000966586715 811104431 /nfs/dbraw/zinc/10/44/31/811104431.db2.gz WPDIJSDYUGKLBM-XVKPBYJWSA-N -1 0 309.326 -0.802 20 0 DBADRM CC(C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC000966639121 811113221 /nfs/dbraw/zinc/11/32/21/811113221.db2.gz WQUQDYBJQMGVLE-JGVFFNPUSA-N -1 0 309.326 -0.485 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NC(=O)C(C)(C)C ZINC000966645893 811114422 /nfs/dbraw/zinc/11/44/22/811114422.db2.gz YCUOLTLCWMXFOI-SFYZADRCSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1CC1 ZINC000966654239 811115396 /nfs/dbraw/zinc/11/53/96/811115396.db2.gz VSVFFKAFNPBLMW-IONNQARKSA-N -1 0 309.326 -0.938 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CN(C(=O)c3cnon3)C[C@H]2C)c1[O-] ZINC000966714102 811129995 /nfs/dbraw/zinc/12/99/95/811129995.db2.gz KYXKVGHEUIPELM-MUWHJKNJSA-N -1 0 320.309 -0.303 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)C(C)(C)C2)c1[O-] ZINC000967119910 811200338 /nfs/dbraw/zinc/20/03/38/811200338.db2.gz VFEOXOSAUNVHSD-MRVPVSSYSA-N -1 0 323.353 -0.734 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC000967738503 811288266 /nfs/dbraw/zinc/28/82/66/811288266.db2.gz UDGQWUAJKPELCS-HLFFCZDVSA-N -1 0 306.322 -0.860 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000967780495 811295465 /nfs/dbraw/zinc/29/54/65/811295465.db2.gz PQEZELHDOKDBLY-XPORZQOISA-N -1 0 321.381 -0.271 20 0 DBADRM CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000968429963 811404075 /nfs/dbraw/zinc/40/40/75/811404075.db2.gz AAODCAWZVWQNMM-ZYHUDNBSSA-N -1 0 318.381 -0.082 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccncn1 ZINC000968435680 811407530 /nfs/dbraw/zinc/40/75/30/811407530.db2.gz FMQJVGQKSFDVEE-GXSJLCMTSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnon1 ZINC000968444470 811410261 /nfs/dbraw/zinc/41/02/61/811410261.db2.gz KVKAFZAYSDCFRH-IONNQARKSA-N -1 0 307.314 -0.466 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cccnn1 ZINC000968459047 811416430 /nfs/dbraw/zinc/41/64/30/811416430.db2.gz IGLVQDPPVUOWMX-MWLCHTKSSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@H]1CCN(CCF)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000968593489 811451757 /nfs/dbraw/zinc/45/17/57/811451757.db2.gz WBZOVSRSBHCXGV-DTWKUNHWSA-N -1 0 301.322 -0.515 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cn1cncn1 ZINC000968614694 811455241 /nfs/dbraw/zinc/45/52/41/811455241.db2.gz MHWJFOYLWCTOIU-UWVGGRQHSA-N -1 0 320.357 -0.871 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](NCc2nccs2)C1 ZINC000969211673 811553723 /nfs/dbraw/zinc/55/37/23/811553723.db2.gz KWEVTIIZSOOWIC-SSDOTTSWSA-N -1 0 322.350 -0.256 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)c1[O-] ZINC000974032048 811580542 /nfs/dbraw/zinc/58/05/42/811580542.db2.gz GRYGKAMEWLICMH-DTORHVGOSA-N -1 0 319.325 -0.908 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C(F)F)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987180446 811596803 /nfs/dbraw/zinc/59/68/03/811596803.db2.gz XZAZBCQLTHFQDL-UHNVWZDZSA-N -1 0 317.252 -0.733 20 0 DBADRM Cc1cnn(CC(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)c1 ZINC000990366577 811605515 /nfs/dbraw/zinc/60/55/15/811605515.db2.gz ICDXQIILHUOWMX-UHFFFAOYSA-N -1 0 318.337 -0.431 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3ccnn3C)C2)c1[O-] ZINC000990427308 811631293 /nfs/dbraw/zinc/63/12/93/811631293.db2.gz LYYWSFNJGGWABA-UHFFFAOYSA-N -1 0 304.310 -0.588 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@H]3CCCOC3)C2)c1[O-] ZINC000990448611 811642732 /nfs/dbraw/zinc/64/27/32/811642732.db2.gz YHHDEAQXOXOTHB-VIFPVBQESA-N -1 0 308.338 -0.209 20 0 DBADRM C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC000990519316 811681555 /nfs/dbraw/zinc/68/15/55/811681555.db2.gz RJBBHUQYVNQXFD-LLVKDONJSA-N -1 0 304.350 -0.178 20 0 DBADRM O=C(CC1CCC1)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000990631183 811734783 /nfs/dbraw/zinc/73/47/83/811734783.db2.gz YVBHQGHFXOKDOT-UHFFFAOYSA-N -1 0 309.326 -0.794 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)CCc3c[nH]cn3)C2)c1[O-] ZINC000990854829 811789705 /nfs/dbraw/zinc/78/97/05/811789705.db2.gz QTHLKOSTYBWXJP-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3ncccc3O)C2)c1[O-] ZINC000990862996 811791498 /nfs/dbraw/zinc/79/14/98/811791498.db2.gz ADLPTDQXUCISIH-UHFFFAOYSA-N -1 0 317.305 -0.221 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)CCn3cccn3)C2)c1[O-] ZINC000990863154 811792495 /nfs/dbraw/zinc/79/24/95/811792495.db2.gz CSHHKOJXBACJED-UHFFFAOYSA-N -1 0 318.337 -0.349 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)C[C@](C)(O)C3CC3)C2)c1[O-] ZINC000990865545 811793662 /nfs/dbraw/zinc/79/36/62/811793662.db2.gz QLDYDIVINJZJFE-HNNXBMFYSA-N -1 0 322.365 -0.085 20 0 DBADRM CC1(C)CC(C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000991138338 811902185 /nfs/dbraw/zinc/90/21/85/811902185.db2.gz HXHFMJQHZQZBNZ-UHFFFAOYSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC([NH2+]Cc3n[nH]c(=O)[n-]3)CC2)c1[O-] ZINC000991146184 811906098 /nfs/dbraw/zinc/90/60/98/811906098.db2.gz DEVTYIHSMWUMDR-UHFFFAOYSA-N -1 0 321.341 -0.358 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@@H]1O ZINC000991159135 811916065 /nfs/dbraw/zinc/91/60/65/811916065.db2.gz WRYSBJUZJSMKHT-SCZZXKLOSA-N -1 0 320.305 -0.360 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C3CC3)[C@@H](O)C2)c1[O-] ZINC000991194433 811952234 /nfs/dbraw/zinc/95/22/34/811952234.db2.gz SAZXGESQLMNXDE-UWVGGRQHSA-N -1 0 308.338 -0.475 20 0 DBADRM CCC(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@H]1C ZINC001004277245 811968787 /nfs/dbraw/zinc/96/87/87/811968787.db2.gz PECYFGBWTKZGPT-RKDXNWHRSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NC(=O)C1CC1 ZINC001004312206 811972117 /nfs/dbraw/zinc/97/21/17/811972117.db2.gz GJNHXAAQUYHBHB-APPZFPTMSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1CC1 ZINC001004312245 811972174 /nfs/dbraw/zinc/97/21/74/811972174.db2.gz GRLDIZUDXMCLPG-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001004823438 812009885 /nfs/dbraw/zinc/00/98/85/812009885.db2.gz UUNLSBAGUZUKFH-BBBLOLIVSA-N -1 0 323.353 -0.407 20 0 DBADRM C[C@@H]1CCN(C(=O)C2CC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001005089209 812028379 /nfs/dbraw/zinc/02/83/79/812028379.db2.gz SWFMNHXCFPXTMZ-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](C)[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001005089245 812028518 /nfs/dbraw/zinc/02/85/18/812028518.db2.gz SZEQZLGIYFLKSU-BDAKNGLRSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@@H]1CCN(C(=O)C2CC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001005100212 812028899 /nfs/dbraw/zinc/02/88/99/812028899.db2.gz KCLFFNVBKSGPOD-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM CN(C(=O)Cn1cccn1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005114673 812030362 /nfs/dbraw/zinc/03/03/62/812030362.db2.gz WKWZFTWRTBABQV-UHFFFAOYSA-N -1 0 319.369 -0.170 20 0 DBADRM CN(C(=O)c1ncn(C)n1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005352010 812062877 /nfs/dbraw/zinc/06/28/77/812062877.db2.gz JYKMJHDDVQNMEC-UHFFFAOYSA-N -1 0 320.357 -0.625 20 0 DBADRM CC(=O)N[C@@H](C)C1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001005549841 812075027 /nfs/dbraw/zinc/07/50/27/812075027.db2.gz JPPAJJLTTMUYHY-ZETCQYMHSA-N -1 0 309.326 -0.802 20 0 DBADRM C[C@@H](NC(=O)C1CC1)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001005548268 812075597 /nfs/dbraw/zinc/07/55/97/812075597.db2.gz ABEALYOAANGWSZ-MRVPVSSYSA-N -1 0 320.349 -0.527 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(C(=O)c3cn[nH]n3)C2)c1[O-] ZINC001005905096 812129782 /nfs/dbraw/zinc/12/97/82/812129782.db2.gz BDAUIRJRKLNIMR-LURJTMIESA-N -1 0 319.325 -0.568 20 0 DBADRM Cc1cnn(CC(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001006854396 812251887 /nfs/dbraw/zinc/25/18/87/812251887.db2.gz QEWRWDWINFVEGK-NSHDSACASA-N -1 0 319.369 -0.204 20 0 DBADRM Cc1ncc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001006947732 812259897 /nfs/dbraw/zinc/25/98/97/812259897.db2.gz SEHANBDXBMOSIS-VIFPVBQESA-N -1 0 305.342 -0.064 20 0 DBADRM Cc1ncc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001006947729 812260540 /nfs/dbraw/zinc/26/05/40/812260540.db2.gz SEHANBDXBMOSIS-SECBINFHSA-N -1 0 305.342 -0.064 20 0 DBADRM CC[C@H](C(N)=O)N1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001007132186 812269532 /nfs/dbraw/zinc/26/95/32/812269532.db2.gz ZMXCLPYUWRARBO-VHSXEESVSA-N -1 0 309.370 -0.118 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN([C@@H]3CCCNC3=O)C2)c1[O-] ZINC001007133906 812269776 /nfs/dbraw/zinc/26/97/76/812269776.db2.gz JVOVTSSGQJMDKG-GHMZBOCLSA-N -1 0 321.381 -0.103 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001007268478 812289663 /nfs/dbraw/zinc/28/96/63/812289663.db2.gz QFOXCLIYQRSWPJ-VIFPVBQESA-N -1 0 321.341 -0.475 20 0 DBADRM CCn1nncc1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007277986 812292604 /nfs/dbraw/zinc/29/26/04/812292604.db2.gz ZZMWYLVLNLRTAL-VIFPVBQESA-N -1 0 320.357 -0.484 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@]12C[C@H]1COC2 ZINC001007380766 812304319 /nfs/dbraw/zinc/30/43/19/812304319.db2.gz TXCQCGZBEHJEON-RBZYPMLTSA-N -1 0 307.354 -0.373 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCC(=O)N1 ZINC001007559447 812327468 /nfs/dbraw/zinc/32/74/68/812327468.db2.gz BCIJYMCFHGGWIG-NXEZZACHSA-N -1 0 322.369 -0.740 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCC(=O)NC1 ZINC001007736791 812351699 /nfs/dbraw/zinc/35/16/99/812351699.db2.gz HSZYHVGBQXMGJU-VHSXEESVSA-N -1 0 322.369 -0.883 20 0 DBADRM CC1(C)CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1CC1 ZINC001007772423 812357518 /nfs/dbraw/zinc/35/75/18/812357518.db2.gz UCNNYORKCCRJCE-SECBINFHSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@]1(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CCNC1=O ZINC001008510425 812437570 /nfs/dbraw/zinc/43/75/70/812437570.db2.gz PRPDOTUPVHJNJI-XPTSAGLGSA-N -1 0 322.369 -0.883 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001008912813 812487931 /nfs/dbraw/zinc/48/79/31/812487931.db2.gz HELVRAYKSCNWSL-XPTSAGLGSA-N -1 0 321.337 -0.339 20 0 DBADRM CCn1cc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001009020968 812501153 /nfs/dbraw/zinc/50/11/53/812501153.db2.gz GWKGJSWCBWIBRG-VIFPVBQESA-N -1 0 320.357 -0.484 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(C(=O)C2CCCC2)CC1 ZINC001009735629 812583059 /nfs/dbraw/zinc/58/30/59/812583059.db2.gz JUDUVHPPTPEGKY-UHFFFAOYSA-N -1 0 321.337 -0.243 20 0 DBADRM CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C1 ZINC001009767260 812588649 /nfs/dbraw/zinc/58/86/49/812588649.db2.gz NUCGIEFMONPKAT-OPRDCNLKSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N1C[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001009910553 812603461 /nfs/dbraw/zinc/60/34/61/812603461.db2.gz RMNAEAOAFYRXHT-PSASIEDQSA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001010057076 812614315 /nfs/dbraw/zinc/61/43/15/812614315.db2.gz JESDEMKWRJRQBY-ZJUUUORDSA-N -1 0 320.349 -0.574 20 0 DBADRM C[C@@H]1C[C@@H](CNC(=O)C2CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001010236866 812641340 /nfs/dbraw/zinc/64/13/40/812641340.db2.gz LQQBOLAGMYBICQ-SFYZADRCSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1ncncc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010321753 812660594 /nfs/dbraw/zinc/66/05/94/812660594.db2.gz BUIVFIPMVMBAJG-VIFPVBQESA-N -1 0 303.326 -0.387 20 0 DBADRM CC[C@H](C)C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001010390983 812680996 /nfs/dbraw/zinc/68/09/96/812680996.db2.gz GHKFLHVKKGKQOG-QMMMGPOBSA-N -1 0 309.326 -0.387 20 0 DBADRM CCn1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001010397064 812681877 /nfs/dbraw/zinc/68/18/77/812681877.db2.gz MTMQOEYIBPKPQE-SNVBAGLBSA-N -1 0 305.342 -0.269 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)c3ccco3)C2)c1[O-] ZINC001041206452 815547191 /nfs/dbraw/zinc/54/71/91/815547191.db2.gz VRCHLZOXSCEDQG-UHFFFAOYSA-N -1 0 320.305 -0.366 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN([C@@H]3CCCNC3=O)C2)c1[O-] ZINC001010628689 812728801 /nfs/dbraw/zinc/72/88/01/812728801.db2.gz LDYFTKRIZVMIDE-VHSXEESVSA-N -1 0 307.354 -0.494 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN([C@H]3CCC(=O)NC3=O)C2)c1[O-] ZINC001010628231 812728824 /nfs/dbraw/zinc/72/88/24/812728824.db2.gz KISVPMZHELMULR-BDAKNGLRSA-N -1 0 321.337 -0.967 20 0 DBADRM CCN1CC[C@H](N2CC[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)C1=O ZINC001010645648 812731869 /nfs/dbraw/zinc/73/18/69/812731869.db2.gz ZSXBFXZPAZUKDP-QWRGUYRKSA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)N3CCC3)C2)c1[O-] ZINC001010645561 812732520 /nfs/dbraw/zinc/73/25/20/812732520.db2.gz ZOXVDQUJNFTNJL-JTQLQIEISA-N -1 0 307.354 -0.540 20 0 DBADRM CCn1ccnc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010806387 812774519 /nfs/dbraw/zinc/77/45/19/812774519.db2.gz PEBXRYZIBCILKB-VIFPVBQESA-N -1 0 305.342 -0.269 20 0 DBADRM C[C@H](C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1)C1CC1 ZINC001010916305 812800658 /nfs/dbraw/zinc/80/06/58/812800658.db2.gz ZEKMNPUCAORYDK-VIFPVBQESA-N -1 0 323.353 -0.594 20 0 DBADRM O=C(C=C1CCC1)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001010976387 812805702 /nfs/dbraw/zinc/80/57/02/812805702.db2.gz KFGHGQPJLYZOJM-UHFFFAOYSA-N -1 0 319.321 -0.323 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)C(C)(C)C(N)=O)CC2)c1[O-] ZINC001011008706 812811749 /nfs/dbraw/zinc/81/17/49/812811749.db2.gz WQBOPEZNAFOCNJ-UHFFFAOYSA-N -1 0 323.353 -0.780 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3cnnn3C)CC2)c1[O-] ZINC001011007653 812812245 /nfs/dbraw/zinc/81/22/45/812812245.db2.gz UFLRSLGXQSZKFM-UHFFFAOYSA-N -1 0 319.325 -0.850 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041252053 815555848 /nfs/dbraw/zinc/55/58/48/815555848.db2.gz PBUHZNQAXSFVNB-DOMZBBRYSA-N -1 0 323.397 -0.048 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C(F)F ZINC001011346703 812884110 /nfs/dbraw/zinc/88/41/10/812884110.db2.gz JHFSOESRLGYXKT-NTSWFWBYSA-N -1 0 319.268 -0.940 20 0 DBADRM CCCC(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001011399900 812888987 /nfs/dbraw/zinc/88/89/87/812888987.db2.gz DBRUFKWRUJACJA-JGVFFNPUSA-N -1 0 309.326 -0.198 20 0 DBADRM CC(C)=CC(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001011447768 812893492 /nfs/dbraw/zinc/89/34/92/812893492.db2.gz OGGWQLQSDJAGKF-IUCAKERBSA-N -1 0 321.337 -0.032 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001011508857 812903062 /nfs/dbraw/zinc/90/30/62/812903062.db2.gz GFJNIBKBPPCGCQ-DTWKUNHWSA-N -1 0 311.342 -0.549 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001011508859 812903683 /nfs/dbraw/zinc/90/36/83/812903683.db2.gz GFJNIBKBPPCGCQ-RKDXNWHRSA-N -1 0 311.342 -0.549 20 0 DBADRM CC(C)[C@H](C)C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001011736342 812938834 /nfs/dbraw/zinc/93/88/34/812938834.db2.gz BPMDROJJXOYJHX-VIFPVBQESA-N -1 0 323.353 -0.141 20 0 DBADRM CCC1(C(=O)N2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)CC1 ZINC001011848754 812956036 /nfs/dbraw/zinc/95/60/36/812956036.db2.gz NTSCGWXRJMXZFC-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM C[C@@H]1[C@H](NC(=O)CC2CC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001011928149 812972885 /nfs/dbraw/zinc/97/28/85/812972885.db2.gz APISQGQLLVVJQX-VXNVDRBHSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@H]1[C@@H](NC(=O)C(F)F)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001011943178 812973935 /nfs/dbraw/zinc/97/39/35/812973935.db2.gz HTJBTLOXQJOIGZ-WDSKDSINSA-N -1 0 319.268 -0.940 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C[C@H]1C ZINC001012121647 813015531 /nfs/dbraw/zinc/01/55/31/813015531.db2.gz NXUIGZPZODRNRG-PSASIEDQSA-N -1 0 303.322 -0.238 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CN1C(=O)C1CC1 ZINC001012140966 813016334 /nfs/dbraw/zinc/01/63/34/813016334.db2.gz GGFRHLXSRGEDFU-WCBMZHEXSA-N -1 0 320.349 -0.385 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)CC1CC1 ZINC001012160101 813018143 /nfs/dbraw/zinc/01/81/43/813018143.db2.gz NYODLUIUECHRDW-IONNQARKSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(F)F)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013426341 813140216 /nfs/dbraw/zinc/14/02/16/813140216.db2.gz ZFDJFBUSLZCEGI-UHNVWZDZSA-N -1 0 317.252 -0.733 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3cnon3)C2)c1[O-] ZINC001013823279 813172806 /nfs/dbraw/zinc/17/28/06/813172806.db2.gz RGUPDLSGIITGOJ-HTRCEHHLSA-N -1 0 320.309 -0.160 20 0 DBADRM CCC(=O)N[C@@]12CCC[C@H]1N(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC001014106559 813209512 /nfs/dbraw/zinc/20/95/12/813209512.db2.gz KRIMJWBXXGYYKE-YMTOWFKASA-N -1 0 323.353 -0.261 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]23CCC[C@@H]2N(C(=O)C(N)=O)CC3)c1[O-] ZINC001014245390 813215607 /nfs/dbraw/zinc/21/56/07/813215607.db2.gz LHOJWPBOIJXKIW-RTHLEPHNSA-N -1 0 321.337 -0.838 20 0 DBADRM CCn1ccc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001014507706 813257992 /nfs/dbraw/zinc/25/79/92/813257992.db2.gz IPXQBZHVCFAQLP-LLVKDONJSA-N -1 0 319.369 -0.340 20 0 DBADRM CC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001014604100 813272968 /nfs/dbraw/zinc/27/29/68/813272968.db2.gz SQXWTLPJBQTQQH-GMTAPVOTSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc2n(n1)CCC2 ZINC001014645242 813284916 /nfs/dbraw/zinc/28/49/16/813284916.db2.gz MCOFSTOAOHRQJW-VIFPVBQESA-N -1 0 317.353 -0.343 20 0 DBADRM CN1CC[C@@H](CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1=O ZINC001014857747 813324223 /nfs/dbraw/zinc/32/42/23/813324223.db2.gz XFLSRLGTKLDNKA-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C(N[C@H]1CCN(Cc2cnns2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015119362 813371660 /nfs/dbraw/zinc/37/16/60/813371660.db2.gz LMGDRKDFNNLYOP-LURJTMIESA-N -1 0 323.338 -0.861 20 0 DBADRM CCC(=O)N1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001015114858 813372044 /nfs/dbraw/zinc/37/20/44/813372044.db2.gz RATRAERTXYSMKO-DTWKUNHWSA-N -1 0 311.342 -0.405 20 0 DBADRM COc1nccc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001015223518 813395361 /nfs/dbraw/zinc/39/53/61/813395361.db2.gz FVRCZLPZSBFKTE-QMMMGPOBSA-N -1 0 319.325 -0.687 20 0 DBADRM CC(C)C(=O)N[C@@H]1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015344727 813409288 /nfs/dbraw/zinc/40/92/88/813409288.db2.gz SDOPXIDMDAHAMN-RKDXNWHRSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCNC(=O)CC1 ZINC001015405016 813419829 /nfs/dbraw/zinc/41/98/29/813419829.db2.gz UGZWJMDFFBFGQG-NXEZZACHSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CC[C@H](CNC(=O)C2CC2)C1 ZINC001015507968 813440808 /nfs/dbraw/zinc/44/08/08/813440808.db2.gz BZJQTFSMPLGJSE-WPRPVWTQSA-N -1 0 323.353 -0.500 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015588983 813467831 /nfs/dbraw/zinc/46/78/31/813467831.db2.gz WGWDZJCEMYFRBP-MRVPVSSYSA-N -1 0 319.325 -0.681 20 0 DBADRM C[C@@]1(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCC(=O)NC1 ZINC001015591658 813469561 /nfs/dbraw/zinc/46/95/61/813469561.db2.gz IDVGDWMRQVFTRE-LKFCYVNXSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(Cc1ncccc1F)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015615400 813474116 /nfs/dbraw/zinc/47/41/16/813474116.db2.gz KJLNVQSRRWJMQI-SECBINFHSA-N -1 0 320.328 -0.022 20 0 DBADRM O=C(Cc1ncccc1F)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015615402 813474314 /nfs/dbraw/zinc/47/43/14/813474314.db2.gz KJLNVQSRRWJMQI-VIFPVBQESA-N -1 0 320.328 -0.022 20 0 DBADRM COc1ncccc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015646047 813488215 /nfs/dbraw/zinc/48/82/15/813488215.db2.gz LHCHIUAAUNWKTL-SECBINFHSA-N -1 0 318.337 -0.082 20 0 DBADRM NC(=O)c1coc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001015691526 813498909 /nfs/dbraw/zinc/49/89/09/813498909.db2.gz WYYNYISDJTYDRV-MRVPVSSYSA-N -1 0 320.309 -0.794 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001015729299 813514706 /nfs/dbraw/zinc/51/47/06/813514706.db2.gz BSKDTDZKMBCBGE-DBIOUOCHSA-N -1 0 307.354 -0.232 20 0 DBADRM Cc1n[nH]c(C)c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015863358 813542652 /nfs/dbraw/zinc/54/26/52/813542652.db2.gz VIAWDJFRJFSHQD-SECBINFHSA-N -1 0 305.342 -0.145 20 0 DBADRM Cc1nonc1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015926934 813567691 /nfs/dbraw/zinc/56/76/91/813567691.db2.gz YXHFJTOFLYPUFX-QMMMGPOBSA-N -1 0 307.314 -0.865 20 0 DBADRM CC(C)(C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1c[nH]cn1 ZINC001016002488 813587838 /nfs/dbraw/zinc/58/78/38/813587838.db2.gz VDWXEGRDQLMBDX-VIFPVBQESA-N -1 0 319.369 -0.098 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(Cc2nccs2)C1 ZINC001016109623 813600374 /nfs/dbraw/zinc/60/03/74/813600374.db2.gz DDGWTZPBPASRBO-QMMMGPOBSA-N -1 0 324.366 -0.464 20 0 DBADRM Cc1nn(C)c(F)c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016131033 813604307 /nfs/dbraw/zinc/60/43/07/813604307.db2.gz NOVQXQKJMNWZIP-QMMMGPOBSA-N -1 0 323.332 -0.304 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016142442 813607400 /nfs/dbraw/zinc/60/74/00/813607400.db2.gz UOKCITZZOPEWKZ-VHSXEESVSA-N -1 0 322.369 -0.788 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc(=O)[nH]c1 ZINC001016162042 813609481 /nfs/dbraw/zinc/60/94/81/813609481.db2.gz AGYFAPPOXDFKSP-VIFPVBQESA-N -1 0 304.310 -0.385 20 0 DBADRM CN(C(=O)CC1CC1)C1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001016168349 813610990 /nfs/dbraw/zinc/61/09/90/813610990.db2.gz RGDPQHXONSILKC-UHFFFAOYSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn(C)c1 ZINC001016448471 813673897 /nfs/dbraw/zinc/67/38/97/813673897.db2.gz JGMJWRNNXRTHTH-ONGXEEELSA-N -1 0 319.369 -0.262 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001016789557 813720264 /nfs/dbraw/zinc/72/02/64/813720264.db2.gz DWWWLTOILOXRAE-KRTGUUSXSA-N -1 0 321.337 -0.342 20 0 DBADRM CC(=O)NC1(C2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)CC1 ZINC001017113153 813769193 /nfs/dbraw/zinc/76/91/93/813769193.db2.gz FWDCUPIUCLBTGZ-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM CC(=O)NCC1=CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001017219507 813777349 /nfs/dbraw/zinc/77/73/49/813777349.db2.gz DEFDGNXEHWDFEN-UHFFFAOYSA-N -1 0 315.333 -0.069 20 0 DBADRM CCC(=O)N[C@H]1CC[C@@H](C)N(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001017862167 813843517 /nfs/dbraw/zinc/84/35/17/813843517.db2.gz PIVFICJSEKWJCE-SFYZADRCSA-N -1 0 309.326 -0.198 20 0 DBADRM CCC(=O)N[C@H]1CC[C@@H](C)N(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001017864962 813844203 /nfs/dbraw/zinc/84/42/03/813844203.db2.gz OLAOFVDFFODOJW-BDAKNGLRSA-N -1 0 311.342 -0.405 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)C2CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001017888282 813847203 /nfs/dbraw/zinc/84/72/03/813847203.db2.gz AKMCPIBDGJMRLS-WPRPVWTQSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)C2CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001017888281 813847811 /nfs/dbraw/zinc/84/78/11/813847811.db2.gz AKMCPIBDGJMRLS-WCBMZHEXSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C1CC1 ZINC001018289734 813887284 /nfs/dbraw/zinc/88/72/84/813887284.db2.gz NIQDBHYULZONIG-CBAPKCEASA-N -1 0 321.337 -0.198 20 0 DBADRM CCC(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@@H]1C ZINC001018307335 813888328 /nfs/dbraw/zinc/88/83/28/813888328.db2.gz RVOCRIWJMBMFJO-IUCAKERBSA-N -1 0 311.342 -0.405 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)C1CC1 ZINC001018309010 813889751 /nfs/dbraw/zinc/88/97/51/813889751.db2.gz ZUGSCVAMVBBLND-PSASIEDQSA-N -1 0 323.353 -0.405 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NC(=O)C(N)=O)CC[C@H]2C)c1[O-] ZINC001018373371 813901704 /nfs/dbraw/zinc/90/17/04/813901704.db2.gz SMXLQWLZCIDFRE-HTRCEHHLSA-N -1 0 309.326 -0.982 20 0 DBADRM CCC(=O)N1CC[C@H](C)[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001018451980 813914259 /nfs/dbraw/zinc/91/42/59/813914259.db2.gz OMSQXGVALKFUFP-DTWKUNHWSA-N -1 0 323.353 -0.093 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](NCc2ccon2)C1 ZINC001019094928 814070294 /nfs/dbraw/zinc/07/02/94/814070294.db2.gz SYTLPMASAVGMMV-QMMMGPOBSA-N -1 0 306.282 -0.725 20 0 DBADRM Cc1cc(CN[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)no1 ZINC001019709865 814222680 /nfs/dbraw/zinc/22/26/80/814222680.db2.gz VLFKXYCDBFYKPV-VIFPVBQESA-N -1 0 322.325 -0.624 20 0 DBADRM CC(=O)N1CC[C@H]2OCCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001019814510 814239383 /nfs/dbraw/zinc/23/93/83/814239383.db2.gz SFCJFLGMXXKZIS-GHMZBOCLSA-N -1 0 308.338 -0.114 20 0 DBADRM Cc1cccnc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001020055583 814282778 /nfs/dbraw/zinc/28/27/78/814282778.db2.gz TWQJISHXHFUYCL-XYPYZODXSA-N -1 0 316.365 -0.138 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NCc3cnn(C)n3)C2)c1[O-] ZINC001020078509 814285953 /nfs/dbraw/zinc/28/59/53/814285953.db2.gz WPPLTXPWPGNKBV-KYZUINATSA-N -1 0 305.342 -0.397 20 0 DBADRM O=C(N[C@H]1C[C@H](NCc2ncccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001020352918 814361472 /nfs/dbraw/zinc/36/14/72/814361472.db2.gz GOMKBKAZRYXIMU-ZKCHVHJHSA-N -1 0 317.309 -0.877 20 0 DBADRM CN(C(=O)Cc1cncnc1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033040191 814403422 /nfs/dbraw/zinc/40/34/22/814403422.db2.gz AGXYXXCZTPVHTE-LLVKDONJSA-N -1 0 317.353 -0.424 20 0 DBADRM CN(C(=O)[C@H]1CC(=O)N(C)C1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033124719 814418728 /nfs/dbraw/zinc/41/87/28/814418728.db2.gz QFBIOWKQSUCXNW-VHSXEESVSA-N -1 0 322.369 -0.979 20 0 DBADRM CN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033124720 814418836 /nfs/dbraw/zinc/41/88/36/814418836.db2.gz QFBIOWKQSUCXNW-ZJUUUORDSA-N -1 0 322.369 -0.979 20 0 DBADRM Cc1nnccc1C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033231492 814451445 /nfs/dbraw/zinc/45/14/45/814451445.db2.gz CSTIZUZKIGGBQP-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCN(Cc2cnon2)C1 ZINC001033237066 814453761 /nfs/dbraw/zinc/45/37/61/814453761.db2.gz HWFPPORBOJETOL-QMMMGPOBSA-N -1 0 321.297 -0.988 20 0 DBADRM COc1nc(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001033304523 814467982 /nfs/dbraw/zinc/46/79/82/814467982.db2.gz PNGDSEKZTFJPDO-QMMMGPOBSA-N -1 0 322.325 -0.147 20 0 DBADRM CN(C(=O)c1csnn1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033311683 814468032 /nfs/dbraw/zinc/46/80/32/814468032.db2.gz HBFKDCTVRMPKDU-ZETCQYMHSA-N -1 0 309.355 -0.292 20 0 DBADRM CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033350827 814485128 /nfs/dbraw/zinc/48/51/28/814485128.db2.gz MMVJOVUXLWZERW-UXCLJVHYSA-N -1 0 307.354 -0.565 20 0 DBADRM CN(C(=O)c1n[nH]cc1F)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033399768 814502102 /nfs/dbraw/zinc/50/21/02/814502102.db2.gz KOCZAEVMHXZAET-ZETCQYMHSA-N -1 0 309.305 -0.281 20 0 DBADRM CN(C(=O)[C@]1(C)CCNC1=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033420561 814504738 /nfs/dbraw/zinc/50/47/38/814504738.db2.gz INWMVFVHZOSFMW-LKFCYVNXSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1ccn(CC(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001033439369 814509290 /nfs/dbraw/zinc/50/92/90/814509290.db2.gz ZQCROTRQDSNICC-NSHDSACASA-N -1 0 319.369 -0.252 20 0 DBADRM CN(C(=O)C[C@@H]1CCC(=O)N1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033490869 814520010 /nfs/dbraw/zinc/52/00/10/814520010.db2.gz MQFDRSDPVDIRQD-UWVGGRQHSA-N -1 0 322.369 -0.788 20 0 DBADRM CCN(C(=O)C1=COCCO1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033743221 814582500 /nfs/dbraw/zinc/58/25/00/814582500.db2.gz QZYMUAGHRSSUAC-JTQLQIEISA-N -1 0 323.353 -0.179 20 0 DBADRM CCN(C(=O)[C@H]1CCC(=O)N1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033774135 814585098 /nfs/dbraw/zinc/58/50/98/814585098.db2.gz ZFLXMVQNLAXHQV-NXEZZACHSA-N -1 0 322.369 -0.788 20 0 DBADRM CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033955336 814616040 /nfs/dbraw/zinc/61/60/40/814616040.db2.gz YITZFGNQYOKIIS-BBBLOLIVSA-N -1 0 322.369 -0.946 20 0 DBADRM CCN(C(=O)c1cnn(C)n1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033986913 814618923 /nfs/dbraw/zinc/61/89/23/814618923.db2.gz BOGDHOXZLVZYPW-VIFPVBQESA-N -1 0 320.357 -0.625 20 0 DBADRM O=C(N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1COC(=O)N1 ZINC001034190130 814643532 /nfs/dbraw/zinc/64/35/32/814643532.db2.gz HUHWZYXWSQGIED-RKDXNWHRSA-N -1 0 324.341 -0.911 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2CCCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001034452991 814684999 /nfs/dbraw/zinc/68/49/99/814684999.db2.gz RMOWWCQTNSDDJR-VIFPVBQESA-N -1 0 320.357 -0.577 20 0 DBADRM O=C(Cn1ccnc1)N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034546291 814698249 /nfs/dbraw/zinc/69/82/49/814698249.db2.gz CUZOYXVOVLWROX-NSHDSACASA-N -1 0 319.369 -0.122 20 0 DBADRM Cc1ocnc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035301217 814882297 /nfs/dbraw/zinc/88/22/97/814882297.db2.gz CSCXUVAIFKWBGZ-VIFPVBQESA-N -1 0 322.325 -0.562 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)C1CC=CC1 ZINC001035322997 814893402 /nfs/dbraw/zinc/89/34/02/814893402.db2.gz KCRYVRYWNRCRNM-NSHDSACASA-N -1 0 307.354 -0.207 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)C1=CCCC1 ZINC001035331000 814895684 /nfs/dbraw/zinc/89/56/84/814895684.db2.gz DQVMFTZPRYIHMB-LLVKDONJSA-N -1 0 307.354 -0.062 20 0 DBADRM COC[C@@H](C)N1CCO[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001035342939 814899188 /nfs/dbraw/zinc/89/91/88/814899188.db2.gz MRCZPHJTNCNPPU-MWLCHTKSSA-N -1 0 312.370 -0.111 20 0 DBADRM O=C(c1cn[nH]n1)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041435506 815614252 /nfs/dbraw/zinc/61/42/52/815614252.db2.gz SEKWDVWLRNKPFD-ZDUSSCGKSA-N -1 0 318.341 -0.633 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CCN(CC(N)=O)[C@@H]3C2)c1[O-] ZINC001042016409 815797975 /nfs/dbraw/zinc/79/79/75/815797975.db2.gz PIBWIKQFKJJFBT-NXEZZACHSA-N -1 0 307.354 -0.555 20 0 DBADRM O=C(c1nc[nH]n1)N1CC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001042274581 815874430 /nfs/dbraw/zinc/87/44/30/815874430.db2.gz IFIBRMBANCTMFG-DTWKUNHWSA-N -1 0 318.341 -0.635 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)c1C ZINC001042556137 815950482 /nfs/dbraw/zinc/95/04/82/815950482.db2.gz XSQPWZXJTLJIGV-UHFFFAOYSA-N -1 0 305.342 -0.193 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@@H]3C)C2)c1[O-] ZINC001042572266 815956028 /nfs/dbraw/zinc/95/60/28/815956028.db2.gz ILQHQAHSJHCVCO-IONNQARKSA-N -1 0 308.338 -0.617 20 0 DBADRM CC[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001042572328 815956697 /nfs/dbraw/zinc/95/66/97/815956697.db2.gz JJZYFASIZIYETL-MRVPVSSYSA-N -1 0 310.354 -0.227 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)C=C3CCC3)C2)c1[O-] ZINC001042573332 815957698 /nfs/dbraw/zinc/95/76/98/815957698.db2.gz ZNYDGJMHKPUMPQ-UHFFFAOYSA-N -1 0 320.349 -0.163 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)C[C@@H]3C[C@H]3C)C2)c1[O-] ZINC001042575883 815958750 /nfs/dbraw/zinc/95/87/50/815958750.db2.gz FPLHEONARDSHGC-SCZZXKLOSA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)C3(C)CCC3)C2)c1[O-] ZINC001042580857 815959114 /nfs/dbraw/zinc/95/91/14/815959114.db2.gz VZIZFMYNPJZTGE-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)c3cc[nH]c3)C2)c1[O-] ZINC001042581031 815959684 /nfs/dbraw/zinc/95/96/84/815959684.db2.gz YOODJYBYQDIDKR-UHFFFAOYSA-N -1 0 319.321 -0.631 20 0 DBADRM CN(C(=O)C[C@H]1COC(=O)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042615508 815968302 /nfs/dbraw/zinc/96/83/02/815968302.db2.gz HPCUQDQAHSORIZ-MRVPVSSYSA-N -1 0 309.326 -0.894 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(CC(=O)NC3CC3)C2)c1[O-] ZINC001042619705 815970112 /nfs/dbraw/zinc/97/01/12/815970112.db2.gz ILYNZFDBTVMDJJ-UHFFFAOYSA-N -1 0 307.354 -0.541 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN([C@H](C)C(=O)NC3CC3)C2)c1[O-] ZINC001042620465 815970145 /nfs/dbraw/zinc/97/01/45/815970145.db2.gz JWRKSVABRZCREV-SECBINFHSA-N -1 0 321.381 -0.153 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN([C@@H]3CCCN(C)C3=O)C2)c1[O-] ZINC001042619863 815970152 /nfs/dbraw/zinc/97/01/52/815970152.db2.gz PECIDMBSQCQFSJ-LLVKDONJSA-N -1 0 321.381 -0.199 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN([C@@H](C)C(=O)NC3CC3)C2)c1[O-] ZINC001042620466 815970341 /nfs/dbraw/zinc/97/03/41/815970341.db2.gz JWRKSVABRZCREV-VIFPVBQESA-N -1 0 321.381 -0.153 20 0 DBADRM CN(C(=O)c1ncccc1O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042645677 815979836 /nfs/dbraw/zinc/97/98/36/815979836.db2.gz BBPYTKDWJURXMA-UHFFFAOYSA-N -1 0 304.310 -0.433 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043007673 816092419 /nfs/dbraw/zinc/09/24/19/816092419.db2.gz DQUUHVQVRSVWOC-UHFFFAOYSA-N -1 0 307.314 -0.796 20 0 DBADRM CN(C(=O)[C@@]1(C)CCNC(=O)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043065733 816105358 /nfs/dbraw/zinc/10/53/58/816105358.db2.gz RBXDKPVPTUVHFZ-AWEZNQCLSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC(=O)N1 ZINC001043186139 816137022 /nfs/dbraw/zinc/13/70/22/816137022.db2.gz DZVOOXTYXPCOOR-RKDXNWHRSA-N -1 0 322.369 -0.932 20 0 DBADRM COc1ccc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001043277094 816155275 /nfs/dbraw/zinc/15/52/75/816155275.db2.gz XWUSRMSOSUNSGK-UHFFFAOYSA-N -1 0 318.337 -0.130 20 0 DBADRM CN(C(=O)C[C@H]1CCCC(=O)N1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043287902 816156305 /nfs/dbraw/zinc/15/63/05/816156305.db2.gz AOCAYLAYBIEVMO-SECBINFHSA-N -1 0 322.369 -0.788 20 0 DBADRM C[C@H]1OCC[C@@]1(C)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043457224 816193725 /nfs/dbraw/zinc/19/37/25/816193725.db2.gz UEGXDIOIGWZRJV-YMTOWFKASA-N -1 0 309.370 -0.032 20 0 DBADRM CC[C@H](F)CN1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001043509632 816206585 /nfs/dbraw/zinc/20/65/85/816206585.db2.gz HSSPKDMQSLJYAU-VIFPVBQESA-N -1 0 312.345 -0.010 20 0 DBADRM CC(=O)N1CC(O)(CNC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC001043754224 816267623 /nfs/dbraw/zinc/26/76/23/816267623.db2.gz HORZMXLQEDAQTG-UHFFFAOYSA-N -1 0 324.381 -0.916 20 0 DBADRM C[C@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCCO1 ZINC001043806818 816274870 /nfs/dbraw/zinc/27/48/70/816274870.db2.gz CGNXQMNZAMBQHB-ONGXEEELSA-N -1 0 309.370 -0.032 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3cccc(F)n3)C[C@@H]2O)c1[O-] ZINC001043892652 816308341 /nfs/dbraw/zinc/30/83/41/816308341.db2.gz CJZWCGZIAIGIBK-BDAKNGLRSA-N -1 0 321.312 -0.063 20 0 DBADRM Cc1nsc(N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)n1 ZINC001043894305 816308685 /nfs/dbraw/zinc/30/86/85/816308685.db2.gz XNMSTEZJVCUXDI-SFYZADRCSA-N -1 0 324.366 -0.437 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043934005 816320063 /nfs/dbraw/zinc/32/00/63/816320063.db2.gz PDBPPAFWCVKGSQ-MXWKQRLJSA-N -1 0 307.354 -0.280 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001044158488 816374501 /nfs/dbraw/zinc/37/45/01/816374501.db2.gz AGGGDUCXHQBFOK-SECBINFHSA-N -1 0 322.369 -0.979 20 0 DBADRM CN(C(=O)Cn1ccccc1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044279534 816399057 /nfs/dbraw/zinc/39/90/57/816399057.db2.gz IQRCHWSWROIRCJ-UHFFFAOYSA-N -1 0 318.337 -0.985 20 0 DBADRM C[C@@]1(NC(=O)c2ccc(=O)[nH]n2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046125284 816762049 /nfs/dbraw/zinc/76/20/49/816762049.db2.gz QUYBPHMFFNIJHX-CYBMUJFWSA-N -1 0 319.325 -0.600 20 0 DBADRM Cn1cc(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001046132607 816762412 /nfs/dbraw/zinc/76/24/12/816762412.db2.gz GGPGQSWTCAKJRU-CYBMUJFWSA-N -1 0 305.342 -0.362 20 0 DBADRM Cc1cc(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001046168201 816770830 /nfs/dbraw/zinc/77/08/30/816770830.db2.gz FKQPEBBJCXWLNO-CYBMUJFWSA-N -1 0 305.342 -0.064 20 0 DBADRM Cn1nccc1C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046189812 816774804 /nfs/dbraw/zinc/77/48/04/816774804.db2.gz OWFPOHPDUIRFFB-CYBMUJFWSA-N -1 0 305.342 -0.362 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN(Cc3ncnn3C)C2)c1[O-] ZINC001046246812 816792639 /nfs/dbraw/zinc/79/26/39/816792639.db2.gz QAZDAICSRSJQBS-CQSZACIVSA-N -1 0 319.369 -0.053 20 0 DBADRM Cn1nncc1C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046286232 816804534 /nfs/dbraw/zinc/80/45/34/816804534.db2.gz UBGGDJUDWNTIIK-GFCCVEGCSA-N -1 0 306.330 -0.967 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046307385 816814440 /nfs/dbraw/zinc/81/44/40/816814440.db2.gz AMDTZOIHVFGQFF-AWEZNQCLSA-N -1 0 319.369 -0.053 20 0 DBADRM CN1C[C@@H](C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001046360940 816826440 /nfs/dbraw/zinc/82/64/40/816826440.db2.gz ZIIMOJKRBLBPOT-XPTSAGLGSA-N -1 0 322.369 -0.931 20 0 DBADRM CN1C[C@@H](C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001046360938 816827144 /nfs/dbraw/zinc/82/71/44/816827144.db2.gz ZIIMOJKRBLBPOT-LKFCYVNXSA-N -1 0 322.369 -0.931 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)C1=O ZINC001046559327 816885584 /nfs/dbraw/zinc/88/55/84/816885584.db2.gz YKOXUQDKBFHOAL-OTYXRUKQSA-N -1 0 322.369 -0.931 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)C1=O ZINC001046559329 816886352 /nfs/dbraw/zinc/88/63/52/816886352.db2.gz YKOXUQDKBFHOAL-XPTSAGLGSA-N -1 0 322.369 -0.931 20 0 DBADRM CCn1cc(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001046735891 816936994 /nfs/dbraw/zinc/93/69/94/816936994.db2.gz XWTJYRCKCNHFKJ-CYBMUJFWSA-N -1 0 320.357 -0.484 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001046984711 816992790 /nfs/dbraw/zinc/99/27/90/816992790.db2.gz XZLSVDPWHNMWIL-NXEZZACHSA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1cc(C(=O)N(C)[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)on1 ZINC001047302095 817044859 /nfs/dbraw/zinc/04/48/59/817044859.db2.gz LVQYRYPGZPFDGB-IUCAKERBSA-N -1 0 322.325 -0.876 20 0 DBADRM CN(C(=O)[C@H]1[C@@H]2CCC[C@@H]21)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047341495 817074974 /nfs/dbraw/zinc/07/49/74/817074974.db2.gz JOKBZKMGEQPNOR-VGDATSSVSA-N -1 0 321.381 -0.440 20 0 DBADRM COC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001047349263 817079339 /nfs/dbraw/zinc/07/93/39/817079339.db2.gz ARHXNASTSOPTKQ-MIMYLULJSA-N -1 0 312.370 -0.424 20 0 DBADRM CN(C(=O)[C@@H]1CC1(C)C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047353870 817082835 /nfs/dbraw/zinc/08/28/35/817082835.db2.gz NWGWKZZBFJPQRS-GUBZILKMSA-N -1 0 309.370 -0.440 20 0 DBADRM CN(C(=O)[C@@]1(C)C=CCC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047489144 817164840 /nfs/dbraw/zinc/16/48/40/817164840.db2.gz NOFIGGOPRVTPQN-PGUXBMHVSA-N -1 0 321.381 -0.130 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)CO1 ZINC001048903867 817475931 /nfs/dbraw/zinc/47/59/31/817475931.db2.gz QMLDQTPOPBSQRM-KXNHARMFSA-N -1 0 321.381 -0.175 20 0 DBADRM C[C@H]1C[C@@H](C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)CO1 ZINC001048903868 817476608 /nfs/dbraw/zinc/47/66/08/817476608.db2.gz QMLDQTPOPBSQRM-WHOHXGKFSA-N -1 0 321.381 -0.175 20 0 DBADRM O=C(c1cnon1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001049123351 817536792 /nfs/dbraw/zinc/53/67/92/817536792.db2.gz AXKAGDHBUHWWBK-OCAPTIKFSA-N -1 0 305.298 -0.903 20 0 DBADRM C[C@H]1OCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001049138562 817541386 /nfs/dbraw/zinc/54/13/86/817541386.db2.gz SCGTYGOFIAOPFD-WYUUTHIRSA-N -1 0 321.381 -0.175 20 0 DBADRM Cn1ccc(C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)n1 ZINC001049214349 817561804 /nfs/dbraw/zinc/56/18/04/817561804.db2.gz DRPJYSGZGUVVLC-AOOOYVTPSA-N -1 0 317.353 -0.552 20 0 DBADRM Cc1nonc1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001049248522 817572668 /nfs/dbraw/zinc/57/26/68/817572668.db2.gz BCGOBWABLLQISL-DTORHVGOSA-N -1 0 319.325 -0.594 20 0 DBADRM CNC(=O)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1n[nH]c(C)c1[O-] ZINC001049424144 817592017 /nfs/dbraw/zinc/59/20/17/817592017.db2.gz ZVWGSJDTSKZFCA-GHMZBOCLSA-N -1 0 321.381 -0.151 20 0 DBADRM O=C(c1cnon1)N1CCC[C@@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001049797843 817639222 /nfs/dbraw/zinc/63/92/22/817639222.db2.gz KPJRCVBIOKDOLX-NXEZZACHSA-N -1 0 319.325 -0.228 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]([C@H](C)NC(=O)CC(N)=O)C2)c1[O-] ZINC001050473505 817720585 /nfs/dbraw/zinc/72/05/85/817720585.db2.gz DFJAZLIXUSIMHT-CBAPKCEASA-N -1 0 323.353 -0.734 20 0 DBADRM CC1CC(C(=O)NC[C@H]2COCCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001050864847 817780557 /nfs/dbraw/zinc/78/05/57/817780557.db2.gz DBAGNUPOOFWTBI-ILDUYXDCSA-N -1 0 309.370 -0.127 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)C1=CCOCC1 ZINC001050887136 817784532 /nfs/dbraw/zinc/78/45/32/817784532.db2.gz BYTPJWDFNGNAHY-LLVKDONJSA-N -1 0 323.353 -0.826 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1CC1(F)F ZINC001050910067 817791155 /nfs/dbraw/zinc/79/11/55/817791155.db2.gz BVZFRGRCCZZVJH-HTQZYQBOSA-N -1 0 317.296 -0.518 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1cc(F)c[nH]1 ZINC001051030595 817827378 /nfs/dbraw/zinc/82/73/78/817827378.db2.gz CGGYKCROSNRHCI-VIFPVBQESA-N -1 0 324.316 -0.392 20 0 DBADRM CCCN1CCOC[C@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC001051156581 817859109 /nfs/dbraw/zinc/85/91/09/817859109.db2.gz UPRAVRJVDXHBDB-LLVKDONJSA-N -1 0 319.365 -0.137 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1C[C@H]1C1CC1 ZINC001051157465 817859314 /nfs/dbraw/zinc/85/93/14/817859314.db2.gz OYIGMHKZBLFYCQ-SDDRHHMPSA-N -1 0 321.381 -0.127 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1nccs1 ZINC001051180382 817870553 /nfs/dbraw/zinc/87/05/53/817870553.db2.gz GLPXFLPOMCYWSL-MRVPVSSYSA-N -1 0 324.366 -0.402 20 0 DBADRM Cc1c[nH]cc1C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001051247128 817888221 /nfs/dbraw/zinc/88/82/21/817888221.db2.gz YRNXISDWXLTBTI-SNVBAGLBSA-N -1 0 320.353 -0.222 20 0 DBADRM CCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001051314350 817898616 /nfs/dbraw/zinc/89/86/16/817898616.db2.gz MDKOFZVPDACIHJ-DTWKUNHWSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H](CNCc3cnon3)C2)c1[O-] ZINC001051550281 817959247 /nfs/dbraw/zinc/95/92/47/817959247.db2.gz NPZUMXXZIYRJDQ-JTQLQIEISA-N -1 0 322.325 -0.562 20 0 DBADRM CCC(=O)N1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](C)C1 ZINC001051680055 817997430 /nfs/dbraw/zinc/99/74/30/817997430.db2.gz UUGNTCATBJCAMQ-RKDXNWHRSA-N -1 0 311.342 -0.690 20 0 DBADRM CC(C)N1CC2(C1)C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)CO2 ZINC001053993856 818064905 /nfs/dbraw/zinc/06/49/05/818064905.db2.gz VQWVRXHNNCSCBH-SECBINFHSA-N -1 0 311.342 -0.943 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](NCc3ncnn3C)C2)c1[O-] ZINC001054566254 818140798 /nfs/dbraw/zinc/14/07/98/818140798.db2.gz ABQJOQZZSVSDFO-SCZZXKLOSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NCc3nncn3C)[C@@H](C)C2)c1[O-] ZINC001054579742 818142042 /nfs/dbraw/zinc/14/20/42/818142042.db2.gz JAPCFGWGHOKQBI-WPRPVWTQSA-N -1 0 319.369 -0.197 20 0 DBADRM CCC(=O)N1CCC[C@](CO)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001055887524 818326464 /nfs/dbraw/zinc/32/64/64/818326464.db2.gz JRPIKKNTFLFTCI-AWEZNQCLSA-N -1 0 310.354 -0.083 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(c2nccnc2F)CC1 ZINC001056083858 818365891 /nfs/dbraw/zinc/36/58/91/818365891.db2.gz VHFFKWXECLWFMH-UHFFFAOYSA-N -1 0 321.272 -0.826 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(c2cnc(F)cn2)CC1 ZINC001056083303 818366084 /nfs/dbraw/zinc/36/60/84/818366084.db2.gz LPRXROHHTLPHJL-UHFFFAOYSA-N -1 0 321.272 -0.826 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)CCCF)c1[O-] ZINC001057353705 818696257 /nfs/dbraw/zinc/69/62/57/818696257.db2.gz COZLBPZQBOWEEH-UHFFFAOYSA-N -1 0 316.333 -0.276 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@H](Nc2ncccn2)C1 ZINC001057777773 818795079 /nfs/dbraw/zinc/79/50/79/818795079.db2.gz MJRVQECOFIJIHL-QMMMGPOBSA-N -1 0 317.309 -0.211 20 0 DBADRM O=C(N[C@H]1CCN(c2ncc(F)cn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001058604330 819005772 /nfs/dbraw/zinc/00/57/72/819005772.db2.gz WCNGZUSFXZGLNO-ZETCQYMHSA-N -1 0 321.272 -0.779 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](Nc2ncc(F)cn2)C1 ZINC001059118736 819111286 /nfs/dbraw/zinc/11/12/86/819111286.db2.gz SLUZJPUPBXTDOA-ZETCQYMHSA-N -1 0 321.272 -0.462 20 0 DBADRM Cc1ccnc(N[C@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001059270831 819127263 /nfs/dbraw/zinc/12/72/63/819127263.db2.gz QFRVPQVQILKMKM-KYZUINATSA-N -1 0 319.325 -0.453 20 0 DBADRM Cc1ccnc(N[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001059468211 819146960 /nfs/dbraw/zinc/14/69/60/819146960.db2.gz AKFPRRVHQJXHLQ-ZKCHVHJHSA-N -1 0 317.309 -0.246 20 0 DBADRM Cc1cc(N[C@H]2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)ncn1 ZINC001059689709 819167451 /nfs/dbraw/zinc/16/74/51/819167451.db2.gz YCPHSWHMPMFMJM-DTORHVGOSA-N -1 0 319.325 -0.453 20 0 DBADRM CCC(=O)NCC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001060002096 819190470 /nfs/dbraw/zinc/19/04/70/819190470.db2.gz NITVWFYRGZLACP-QMMMGPOBSA-N -1 0 309.326 -0.339 20 0 DBADRM CC(=O)N[C@H]1CC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001060633399 819224189 /nfs/dbraw/zinc/22/41/89/819224189.db2.gz UDAZALLDOYTWBW-MGCOHNPYSA-N -1 0 311.342 -0.500 20 0 DBADRM CC(=O)NCC1(NC(=O)c2c[n-]n3c2nccc3=O)CCC1 ZINC001062374218 819475024 /nfs/dbraw/zinc/47/50/24/819475024.db2.gz BDTBRCCJTJWXES-UHFFFAOYSA-N -1 0 303.322 -0.189 20 0 DBADRM CC(=O)NCC1(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001062373120 819475033 /nfs/dbraw/zinc/47/50/33/819475033.db2.gz IBZYOXOJSCKMCT-UHFFFAOYSA-N -1 0 309.326 -0.610 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001062434859 819484700 /nfs/dbraw/zinc/48/47/00/819484700.db2.gz DOHKYUYPJCHBMI-JGVFFNPUSA-N -1 0 321.337 -0.293 20 0 DBADRM C/C=C(\C)C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001062776194 819540863 /nfs/dbraw/zinc/54/08/63/819540863.db2.gz DJFSPRDPQCDSEQ-YCRREMRBSA-N -1 0 323.353 -0.189 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001063788399 819638511 /nfs/dbraw/zinc/63/85/11/819638511.db2.gz KWGPMKIKOIEQCE-SFYZADRCSA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(NCC1(NC(=O)C2CC2)CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001063788448 819638559 /nfs/dbraw/zinc/63/85/59/819638559.db2.gz MXQRFBSBLIBPHG-UHFFFAOYSA-N -1 0 307.310 -0.539 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001063788400 819638804 /nfs/dbraw/zinc/63/88/04/819638804.db2.gz KWGPMKIKOIEQCE-YUMQZZPRSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@]1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(c2ncccn2)C1 ZINC001065361258 819870264 /nfs/dbraw/zinc/87/02/64/819870264.db2.gz UUMSSMXPLQUSRG-ZDUSSCGKSA-N -1 0 317.309 -0.528 20 0 DBADRM CC(=O)N1CCC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001066306062 819996187 /nfs/dbraw/zinc/99/61/87/819996187.db2.gz QVDAUOBVNDBYTQ-SNVBAGLBSA-N -1 0 323.353 -0.267 20 0 DBADRM CCC(=O)N(C)CCCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001066565406 820017692 /nfs/dbraw/zinc/01/76/92/820017692.db2.gz RMDIKSUBFYTWNP-UHFFFAOYSA-N -1 0 310.354 -0.184 20 0 DBADRM CN(CCCN(C)C(=O)C1CC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001066584379 820021160 /nfs/dbraw/zinc/02/11/60/820021160.db2.gz VFWBZXYIFQSTQJ-UHFFFAOYSA-N -1 0 322.365 -0.184 20 0 DBADRM CC(C)C(=O)N(C)CCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001066849478 820048370 /nfs/dbraw/zinc/04/83/70/820048370.db2.gz JFTWOIMSMCQSGG-UHFFFAOYSA-N -1 0 313.358 -0.348 20 0 DBADRM O=C(NC1CC(CNc2ncccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001067901603 820142555 /nfs/dbraw/zinc/14/25/55/820142555.db2.gz WSXBKSRRNJQOJO-UHFFFAOYSA-N -1 0 317.309 -0.307 20 0 DBADRM O=C(NCc1cnn2c1CN(Cc1n[nH]c(=O)[n-]1)CC2)C1CC1 ZINC001069850280 820312401 /nfs/dbraw/zinc/31/24/01/820312401.db2.gz LUPXAZZRMLOWCT-UHFFFAOYSA-N -1 0 317.353 -0.251 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001071033660 820612119 /nfs/dbraw/zinc/61/21/19/820612119.db2.gz NTRHZMCOURFLPM-QZGLAHODSA-N -1 0 321.337 -0.030 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)c2cnnn2C)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071482430 820694688 /nfs/dbraw/zinc/69/46/88/820694688.db2.gz YWPYPHIYWIFJTQ-RKDXNWHRSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)c2cnnn2C)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071482429 820694851 /nfs/dbraw/zinc/69/48/51/820694851.db2.gz YWPYPHIYWIFJTQ-IUCAKERBSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)c2cnn(C)n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071893692 820801629 /nfs/dbraw/zinc/80/16/29/820801629.db2.gz RJLFEEMXNNOKTJ-IUCAKERBSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)c2nnc[nH]2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071912090 820807257 /nfs/dbraw/zinc/80/72/57/820807257.db2.gz WFWRJYDBAGPXHA-YUMQZZPRSA-N -1 0 306.330 -0.589 20 0 DBADRM CNC(=O)CC(=O)N1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](C)C1 ZINC001071965892 820824047 /nfs/dbraw/zinc/82/40/47/820824047.db2.gz DZQWTSSDMLSOTR-CBAPKCEASA-N -1 0 323.353 -0.863 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)Cc2nc[nH]n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071973823 820832086 /nfs/dbraw/zinc/83/20/86/820832086.db2.gz IVDDAODREVHLDA-BDAKNGLRSA-N -1 0 320.357 -0.660 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071973825 820833417 /nfs/dbraw/zinc/83/34/17/820833417.db2.gz IVDDAODREVHLDA-IUCAKERBSA-N -1 0 320.357 -0.660 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1CCF ZINC001072026356 820849258 /nfs/dbraw/zinc/84/92/58/820849258.db2.gz HLMYEMVJTFGYEA-DTWKUNHWSA-N -1 0 301.322 -0.372 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001072115656 820869668 /nfs/dbraw/zinc/86/96/68/820869668.db2.gz AHZPLTFKRWOVAS-CBAPKCEASA-N -1 0 321.341 -0.015 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)Cn2ccnc2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001072122090 820870183 /nfs/dbraw/zinc/87/01/83/820870183.db2.gz FNFMZKBZQKKZBO-WDEREUQCSA-N -1 0 319.369 -0.124 20 0 DBADRM CC(=O)N[C@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001072362030 820908231 /nfs/dbraw/zinc/90/82/31/820908231.db2.gz KMEKJNDFSLDTKQ-SCZZXKLOSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(C)=CC(=O)N[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001072483232 820928733 /nfs/dbraw/zinc/92/87/33/820928733.db2.gz FOHAJFYZPNPLIU-UWVGGRQHSA-N -1 0 323.353 -0.381 20 0 DBADRM O=C([C@H]1CCOC1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072529835 820943813 /nfs/dbraw/zinc/94/38/13/820943813.db2.gz CCCQYENPGAJBCE-JTQLQIEISA-N -1 0 307.354 -0.419 20 0 DBADRM Cn1cnc(C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)c1 ZINC001072616714 820966870 /nfs/dbraw/zinc/96/68/70/820966870.db2.gz IRETWDGFDZYWFH-UHFFFAOYSA-N -1 0 317.353 -0.408 20 0 DBADRM O=C(CC1(O)CCC1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072716362 820994227 /nfs/dbraw/zinc/99/42/27/820994227.db2.gz QOVSAAVFWLTJEV-UHFFFAOYSA-N -1 0 321.381 -0.150 20 0 DBADRM O=C(N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2)[C@]12C[C@H]1COC2 ZINC001072757506 821002798 /nfs/dbraw/zinc/00/27/98/821002798.db2.gz LIYGHMDCIWNLPF-BONVTDFDSA-N -1 0 319.365 -0.419 20 0 DBADRM CC(C)(C(N)=O)C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072831561 821024976 /nfs/dbraw/zinc/02/49/76/821024976.db2.gz SCYDNXNQRDMUCQ-UHFFFAOYSA-N -1 0 322.369 -0.944 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)CO1 ZINC001072872145 821036500 /nfs/dbraw/zinc/03/65/00/821036500.db2.gz TZXZYANQAMKXEW-GHMZBOCLSA-N -1 0 321.381 -0.030 20 0 DBADRM C[C@H]1C[C@H](C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)CO1 ZINC001072872147 821036839 /nfs/dbraw/zinc/03/68/39/821036839.db2.gz TZXZYANQAMKXEW-QWRGUYRKSA-N -1 0 321.381 -0.030 20 0 DBADRM CC(=O)NC[C@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)CCCO1 ZINC001073501458 821138213 /nfs/dbraw/zinc/13/82/13/821138213.db2.gz KAIPTUIMSJODAY-ZDUSSCGKSA-N -1 0 319.365 -0.250 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1ccn[nH]1 ZINC001073543354 821152802 /nfs/dbraw/zinc/15/28/02/821152802.db2.gz FAGZKRXMCYJGJL-SECBINFHSA-N -1 0 321.341 -0.746 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1cnco1 ZINC001073716468 821218927 /nfs/dbraw/zinc/21/89/27/821218927.db2.gz DGGOJRHFSQTTAC-SECBINFHSA-N -1 0 322.325 -0.481 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001073732311 821223500 /nfs/dbraw/zinc/22/35/00/821223500.db2.gz LRJKRAJUQRUILS-OUAUKWLOSA-N -1 0 309.370 -0.127 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]3OCCN(CCO)[C@H]3C2)c1[O-] ZINC001074219937 821311058 /nfs/dbraw/zinc/31/10/58/821311058.db2.gz ZJISRTZBMGNPBN-QWRGUYRKSA-N -1 0 310.354 -0.669 20 0 DBADRM CCN1CCO[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]21 ZINC001074313208 821331184 /nfs/dbraw/zinc/33/11/84/821331184.db2.gz YKJAMRASGMXXCY-RYUDHWBXSA-N -1 0 322.365 -0.579 20 0 DBADRM CCC(=O)N1CCC(O)(CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001074373217 821347290 /nfs/dbraw/zinc/34/72/90/821347290.db2.gz YCIGRGXIGAXPHF-UHFFFAOYSA-N -1 0 310.354 -0.083 20 0 DBADRM CCN1CCO[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001074391946 821353898 /nfs/dbraw/zinc/35/38/98/821353898.db2.gz BKJDZPDMOLMDII-ZJUUUORDSA-N -1 0 311.342 -0.989 20 0 DBADRM CCN1CCO[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC001074391945 821354601 /nfs/dbraw/zinc/35/46/01/821354601.db2.gz BKJDZPDMOLMDII-VHSXEESVSA-N -1 0 311.342 -0.989 20 0 DBADRM CN(CCCN(C)c1ncccn1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001112107606 828334725 /nfs/dbraw/zinc/33/47/25/828334725.db2.gz CLDVCRGCERXRMW-UHFFFAOYSA-N -1 0 321.341 -0.536 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)CC(N)=O)C[C@@H]2C)c1[O-] ZINC001074909901 821460044 /nfs/dbraw/zinc/46/00/44/821460044.db2.gz RMCMNEXKBSJERB-IONNQARKSA-N -1 0 323.353 -0.592 20 0 DBADRM C[C@@H](CCNC(=O)C(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001075250606 821501097 /nfs/dbraw/zinc/50/10/97/821501097.db2.gz GJAVZOLTSCGZQA-BYPYZUCNSA-N -1 0 305.241 -0.828 20 0 DBADRM C[C@@H](CCNC(=O)C(C)(C)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001075329897 821506909 /nfs/dbraw/zinc/50/69/09/821506909.db2.gz OVYHQVWKEKPGON-LURJTMIESA-N -1 0 315.305 -0.345 20 0 DBADRM COCC(=O)NCC[C@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001075363540 821510077 /nfs/dbraw/zinc/51/00/77/821510077.db2.gz KRDBXJPSNZSAKB-VIFPVBQESA-N -1 0 321.337 -0.706 20 0 DBADRM O=C(c1cnccn1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075505245 821527025 /nfs/dbraw/zinc/52/70/25/821527025.db2.gz VOEUEIDMLYUNCS-GXSJLCMTSA-N -1 0 315.337 -0.353 20 0 DBADRM O=C([C@@H]1CCCO1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075525442 821534118 /nfs/dbraw/zinc/53/41/18/821534118.db2.gz GNOLOZIANCUIGR-AXFHLTTASA-N -1 0 307.354 -0.278 20 0 DBADRM C[C@@H](CCNC(=O)c1ccoc1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001075602150 821554320 /nfs/dbraw/zinc/55/43/20/821554320.db2.gz LKSIALVYHMPEOS-ZETCQYMHSA-N -1 0 321.293 -0.186 20 0 DBADRM Cn1nccc1C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075609015 821555545 /nfs/dbraw/zinc/55/55/45/821555545.db2.gz RVWOSXJLBYMHFD-GXSJLCMTSA-N -1 0 317.353 -0.410 20 0 DBADRM O=C([C@H]1CCCOC1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075612310 821558173 /nfs/dbraw/zinc/55/81/73/821558173.db2.gz GVJNCUSQFRBKDH-SDDRHHMPSA-N -1 0 321.381 -0.030 20 0 DBADRM CCCCC(=O)NCC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001075639241 821564249 /nfs/dbraw/zinc/56/42/49/821564249.db2.gz GPNQMKAOZMAZLJ-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM CNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001075692258 821571959 /nfs/dbraw/zinc/57/19/59/821571959.db2.gz QMRHHGQRKDIXKJ-GARJFASQSA-N -1 0 321.381 -0.295 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075757216 821590476 /nfs/dbraw/zinc/59/04/76/821590476.db2.gz RGQRZLZISQQZGV-HOSYDEDBSA-N -1 0 309.370 -0.440 20 0 DBADRM COC1CC(C(=O)N2CC[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1 ZINC001075922934 821625414 /nfs/dbraw/zinc/62/54/14/821625414.db2.gz UHKJNPXDYWUYCN-WNYYMSAVSA-N -1 0 321.381 -0.032 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC001075926732 821626558 /nfs/dbraw/zinc/62/65/58/821626558.db2.gz CMLCPHXCSFWRSZ-IONNQARKSA-N -1 0 323.353 -0.673 20 0 DBADRM C/C=C(\C)C(=O)NCC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001076093725 821662930 /nfs/dbraw/zinc/66/29/30/821662930.db2.gz BUFBOWYYKPKEIS-SGDMMICCSA-N -1 0 311.342 -0.334 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)n1C ZINC001076739842 821830641 /nfs/dbraw/zinc/83/06/41/821830641.db2.gz RNUXKMWQUVJPTL-MWLCHTKSSA-N -1 0 320.353 -0.868 20 0 DBADRM C[C@@H](OCC1CC1)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001112674549 828373865 /nfs/dbraw/zinc/37/38/65/828373865.db2.gz YWEAOXRWCCWMKY-SNVBAGLBSA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001076852914 821890920 /nfs/dbraw/zinc/89/09/20/821890920.db2.gz JXQJRZFTRCZXEB-KNDBQHFLSA-N -1 0 307.354 -0.782 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cscn3)C[C@H]2O)c1[O-] ZINC001076883018 821903631 /nfs/dbraw/zinc/90/36/31/821903631.db2.gz OIZBHMAMFKHIHH-NXEZZACHSA-N -1 0 323.378 -0.145 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccn(C)n3)C[C@H]2O)c1[O-] ZINC001076890336 821908469 /nfs/dbraw/zinc/90/84/69/821908469.db2.gz VRKMSSCDDNWOKT-GHMZBOCLSA-N -1 0 320.353 -0.868 20 0 DBADRM Cc1conc1CN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001076892882 821910496 /nfs/dbraw/zinc/91/04/96/821910496.db2.gz UKAOWKFFNGEFOE-GHMZBOCLSA-N -1 0 321.337 -0.305 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccns3)C[C@H]2O)c1[O-] ZINC001076892820 821910535 /nfs/dbraw/zinc/91/05/35/821910535.db2.gz QOSIFGCMTQEOEM-NXEZZACHSA-N -1 0 323.378 -0.145 20 0 DBADRM CCNC(=O)CCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001112697603 828381951 /nfs/dbraw/zinc/38/19/51/828381951.db2.gz PQTVZSBDFHFJDJ-UHFFFAOYSA-N -1 0 310.358 -0.929 20 0 DBADRM Cc1ccn(C)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076927663 821928348 /nfs/dbraw/zinc/92/83/48/821928348.db2.gz XINPBQNBTDSJGF-NXEZZACHSA-N -1 0 320.353 -0.868 20 0 DBADRM CCc1[nH]ccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076956931 821941375 /nfs/dbraw/zinc/94/13/75/821941375.db2.gz BKFUJKZNBCWDDE-GHMZBOCLSA-N -1 0 320.353 -0.624 20 0 DBADRM O=C(C[C@@H]1C=CCCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077216713 822035593 /nfs/dbraw/zinc/03/55/93/822035593.db2.gz MVNCKNMICVYCQF-IJLUTSLNSA-N -1 0 321.381 -0.082 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@H]1CCCC12CC2 ZINC001077225408 822036833 /nfs/dbraw/zinc/03/68/33/822036833.db2.gz WPSFCYJOYVUNRD-GMTAPVOTSA-N -1 0 321.381 -0.248 20 0 DBADRM CC1(C)CCC[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077532981 822141942 /nfs/dbraw/zinc/14/19/42/822141942.db2.gz ZJMIIWIMRJFOCX-HBNTYKKESA-N -1 0 323.397 -0.002 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)c1ccc[nH]1 ZINC001077577006 822159031 /nfs/dbraw/zinc/15/90/31/822159031.db2.gz MQTYRVUKMWDJTO-ZETCQYMHSA-N -1 0 320.309 -0.451 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC(C)C1 ZINC001077578137 822159554 /nfs/dbraw/zinc/15/95/54/822159554.db2.gz NKNIJLKUHRJYKF-MGURRDGZSA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)ccn1C ZINC001077635702 822173412 /nfs/dbraw/zinc/17/34/12/822173412.db2.gz LLHVNHWUJNDIRA-GHMZBOCLSA-N -1 0 320.353 -0.868 20 0 DBADRM CCCCC(=O)N[C@@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077679905 822186464 /nfs/dbraw/zinc/18/64/64/822186464.db2.gz JBINFOHMVXHVQV-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM CC(C)CC(=O)N[C@@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077679758 822186629 /nfs/dbraw/zinc/18/66/29/822186629.db2.gz BNCXHRBXFWXKAS-VIFPVBQESA-N -1 0 313.358 -0.254 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077680189 822187993 /nfs/dbraw/zinc/18/79/93/822187993.db2.gz VSJOVVUXHJIHHH-IUCAKERBSA-N -1 0 313.358 -0.254 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1ccc[nH]1 ZINC001077680285 822188236 /nfs/dbraw/zinc/18/82/36/822188236.db2.gz ZKDWPUUOTLQCFY-QMMMGPOBSA-N -1 0 322.325 -0.658 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001077754047 822216132 /nfs/dbraw/zinc/21/61/32/822216132.db2.gz LAPGEWUBFJKHQQ-KXUCPTDWSA-N -1 0 322.365 -0.234 20 0 DBADRM COc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)o1 ZINC001077886297 822266231 /nfs/dbraw/zinc/26/62/31/822266231.db2.gz UFYOURLPMMNNKD-HTQZYQBOSA-N -1 0 323.309 -0.913 20 0 DBADRM O=C(CCOCC(F)F)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001112861827 828425929 /nfs/dbraw/zinc/42/59/29/828425929.db2.gz XIDZGIGWKDOORG-UHFFFAOYSA-N -1 0 319.312 -0.174 20 0 DBADRM C[C@@H](O)CCCN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001113071347 828455832 /nfs/dbraw/zinc/45/58/32/828455832.db2.gz RPLSNCZPTXSMRB-SECBINFHSA-N -1 0 311.342 -0.798 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)Nc1cnc(F)cn1 ZINC001113364267 828488718 /nfs/dbraw/zinc/48/87/18/828488718.db2.gz KZYZXPFCIHNTCI-WDSKDSINSA-N -1 0 323.288 -0.169 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)Nc1cc(F)ncn1 ZINC001113364032 828488956 /nfs/dbraw/zinc/48/89/56/828488956.db2.gz HUWUVUJBWGDIOI-NTSWFWBYSA-N -1 0 323.288 -0.169 20 0 DBADRM CCOCCCN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001113583361 828522884 /nfs/dbraw/zinc/52/28/84/828522884.db2.gz HKRHATIDKSARTI-UHFFFAOYSA-N -1 0 313.358 -0.740 20 0 DBADRM CC(=O)N(C)CCCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113590124 828523534 /nfs/dbraw/zinc/52/35/34/828523534.db2.gz STDQQTOQQALDAN-UHFFFAOYSA-N -1 0 324.385 -0.587 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)c1ncccn1 ZINC001113681718 828538168 /nfs/dbraw/zinc/53/81/68/828538168.db2.gz GKLKTRGARKPXOR-QMMMGPOBSA-N -1 0 307.314 -0.880 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)C2(C(N)=O)CC2)c1[O-] ZINC001078111921 823706534 /nfs/dbraw/zinc/70/65/34/823706534.db2.gz SPROJUNMNMIFCJ-ZETCQYMHSA-N -1 0 323.353 -0.686 20 0 DBADRM Cc1c[nH]cc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001078177141 823730115 /nfs/dbraw/zinc/73/01/15/823730115.db2.gz XGQZPKHWWCZFBD-NXEZZACHSA-N -1 0 306.326 -0.878 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1CCOCC1 ZINC001079346409 823870781 /nfs/dbraw/zinc/87/07/81/823870781.db2.gz ABTNGPHUHHPKPE-MWLCHTKSSA-N -1 0 309.370 -0.127 20 0 DBADRM Cc1c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)cnn1C ZINC001079428156 823885759 /nfs/dbraw/zinc/88/57/59/823885759.db2.gz QNJODMKRSCOHMF-LDYMZIIASA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1ncncc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001079446691 823888439 /nfs/dbraw/zinc/88/84/39/823888439.db2.gz LLHUGDUEDYESBP-LDYMZIIASA-N -1 0 317.353 -0.141 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnsn1 ZINC001079456013 823891020 /nfs/dbraw/zinc/89/10/20/823891020.db2.gz KMCVINIWCNJFCE-HTRCEHHLSA-N -1 0 309.355 -0.388 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@H]2C)c1[O-] ZINC001079579403 823917966 /nfs/dbraw/zinc/91/79/66/823917966.db2.gz HEHHWENOUKQLBN-PSASIEDQSA-N -1 0 309.370 -0.438 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C[C@@H]1COC(=O)C1 ZINC001079573879 823918077 /nfs/dbraw/zinc/91/80/77/823918077.db2.gz QNGFCGRUMPCFEL-KXUCPTDWSA-N -1 0 323.353 -0.600 20 0 DBADRM O=C(COCC1CC1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001113929994 828587781 /nfs/dbraw/zinc/58/77/81/828587781.db2.gz VHCWNCUJHZUIHO-IWIIMEHWSA-N -1 0 307.354 -0.517 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)c1ncccn1 ZINC001113967502 828597319 /nfs/dbraw/zinc/59/73/19/828597319.db2.gz GQZUUOPFGNVQSB-SSDOTTSWSA-N -1 0 305.298 -0.673 20 0 DBADRM Cc1ccnc(N(C)[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001113967444 828597479 /nfs/dbraw/zinc/59/74/79/828597479.db2.gz FAMIWNYZXPHNSP-MRVPVSSYSA-N -1 0 319.325 -0.364 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)c1ncc(F)cn1 ZINC001113967574 828597501 /nfs/dbraw/zinc/59/75/01/828597501.db2.gz IGHAYMWFSDAQEZ-ZCFIWIBFSA-N -1 0 323.288 -0.533 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001080201247 824012036 /nfs/dbraw/zinc/01/20/36/824012036.db2.gz WYPIWCYTRFWFBM-PSASIEDQSA-N -1 0 323.353 -0.595 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C2(C)CC2)C1 ZINC001080200881 824012251 /nfs/dbraw/zinc/01/22/51/824012251.db2.gz MXVSKUFBVDQOHI-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cccnn1 ZINC001080656843 824073694 /nfs/dbraw/zinc/07/36/94/824073694.db2.gz AAMUFTNCXPKSGZ-PSASIEDQSA-N -1 0 303.326 -0.449 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1ncc[nH]1 ZINC001080673319 824077095 /nfs/dbraw/zinc/07/70/95/824077095.db2.gz JEGRKFFBNXACBJ-RKDXNWHRSA-N -1 0 305.342 -0.587 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)C(F)F)C2)c1[O-] ZINC001081149620 824137192 /nfs/dbraw/zinc/13/71/92/824137192.db2.gz KVBVYXOBOUHYPF-BQBZGAKWSA-N -1 0 318.280 -0.762 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cccn1C ZINC001081378384 824227448 /nfs/dbraw/zinc/22/74/48/824227448.db2.gz VIDMRBCQMYYKIM-MWLCHTKSSA-N -1 0 320.353 -0.522 20 0 DBADRM C/C=C(/C)C(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001081391298 824232919 /nfs/dbraw/zinc/23/29/19/824232919.db2.gz KWLKEYHWGLHTGI-GKJMHVSUSA-N -1 0 322.365 -0.061 20 0 DBADRM CCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-] ZINC001114140224 828632912 /nfs/dbraw/zinc/63/29/12/828632912.db2.gz BLTKAOYEZTYUFM-JZYVYDRUSA-N -1 0 307.354 -0.780 20 0 DBADRM CC[C@H](C)OCC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114154084 828635796 /nfs/dbraw/zinc/63/57/96/828635796.db2.gz TZSMJNBOMQGWMX-QISWUMQESA-N -1 0 309.370 -0.128 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083053990 824488225 /nfs/dbraw/zinc/48/82/25/824488225.db2.gz RRUXBFFAWBXCRH-OUAUKWLOSA-N -1 0 321.381 -0.032 20 0 DBADRM Cc1ccsc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083312971 824538424 /nfs/dbraw/zinc/53/84/24/824538424.db2.gz NBKYMSBOIIPLGF-BDAKNGLRSA-N -1 0 323.378 -0.145 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cn1 ZINC001083341887 824555738 /nfs/dbraw/zinc/55/57/38/824555738.db2.gz YFDYVBHJDVUTPR-MNOVXSKESA-N -1 0 318.337 -0.811 20 0 DBADRM CC(C)C(=O)N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O ZINC001083345189 824558003 /nfs/dbraw/zinc/55/80/03/824558003.db2.gz XWUGAQHYKZQFLA-NEPJUHHUSA-N -1 0 319.365 -0.660 20 0 DBADRM Cc1cncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1 ZINC001083384100 824593418 /nfs/dbraw/zinc/59/34/18/824593418.db2.gz LHPFYYHYOPZEBG-MNOVXSKESA-N -1 0 318.337 -0.811 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC(F)(F)C1 ZINC001083397726 824599443 /nfs/dbraw/zinc/59/94/43/824599443.db2.gz VGDZYIVSIUUVRU-SFYZADRCSA-N -1 0 317.296 -0.783 20 0 DBADRM Cc1cc(CN2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)on1 ZINC001083409816 824605671 /nfs/dbraw/zinc/60/56/71/824605671.db2.gz JUUTXTITYLGJJB-MNOVXSKESA-N -1 0 321.337 -0.305 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)n1cccc1 ZINC001083408994 824605900 /nfs/dbraw/zinc/60/59/00/824605900.db2.gz HOAGEVPZRDXJMV-AXFHLTTASA-N -1 0 320.353 -0.766 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C/C=C\Cl)C[C@@H]2O)c1[O-] ZINC001083409830 824606224 /nfs/dbraw/zinc/60/62/24/824606224.db2.gz KDXGMRSZRCXCSK-HVSMVGKISA-N -1 0 300.746 -0.049 20 0 DBADRM Cc1cnc(CN2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)o1 ZINC001083410660 824607160 /nfs/dbraw/zinc/60/71/60/824607160.db2.gz PBXZZGNPIJTIQB-ZJUUUORDSA-N -1 0 321.337 -0.305 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccc(F)cn1 ZINC001083421867 824612724 /nfs/dbraw/zinc/61/27/24/824612724.db2.gz VOOZHDNFNCKNRT-ZJUUUORDSA-N -1 0 322.300 -0.981 20 0 DBADRM O=C(Cc1ccoc1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083424467 824615748 /nfs/dbraw/zinc/61/57/48/824615748.db2.gz STCIJFUDFLVFQU-ZJUUUORDSA-N -1 0 307.310 -0.993 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1(C2CC2)CC1 ZINC001083551743 824671382 /nfs/dbraw/zinc/67/13/82/824671382.db2.gz BJNQUBGVABRXDD-ZJUUUORDSA-N -1 0 307.354 -0.638 20 0 DBADRM Cc1cc(C)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)[nH]1 ZINC001083575175 824680209 /nfs/dbraw/zinc/68/02/09/824680209.db2.gz QNQNMAZCJZBTCM-ZJUUUORDSA-N -1 0 320.353 -0.570 20 0 DBADRM O=C(C[C@@H]1C[C@H]1C1CC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083654930 824713718 /nfs/dbraw/zinc/71/37/18/824713718.db2.gz MQEIZLGKSKYOAI-YFKTTZPYSA-N -1 0 321.381 -0.392 20 0 DBADRM CC(C)(C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCC1 ZINC001083676348 824721650 /nfs/dbraw/zinc/72/16/50/824721650.db2.gz WVVJVJFFTDQKQY-MNOVXSKESA-N -1 0 323.397 -0.002 20 0 DBADRM Cc1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c(C)o1 ZINC001083886422 824811177 /nfs/dbraw/zinc/81/11/77/824811177.db2.gz YAUMUCLVBQXABS-BDAKNGLRSA-N -1 0 322.325 -0.910 20 0 DBADRM O=C(C1=COCCO1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084169403 824903167 /nfs/dbraw/zinc/90/31/67/824903167.db2.gz HZRNFQSOEBJVKV-NXEZZACHSA-N -1 0 321.337 -0.569 20 0 DBADRM O=C(C1CCOCC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084149006 824903241 /nfs/dbraw/zinc/90/32/41/824903241.db2.gz XQHIYYLNENIHFQ-VXGBXAGGSA-N -1 0 321.381 -0.030 20 0 DBADRM O=C(c1cnsn1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084206103 824908516 /nfs/dbraw/zinc/90/85/16/824908516.db2.gz VOMYGORKWJNIGA-VXNVDRBHSA-N -1 0 321.366 -0.292 20 0 DBADRM O=C([C@H]1CCCOC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084228669 824911526 /nfs/dbraw/zinc/91/15/26/824911526.db2.gz OGVOXKIBNSWRAC-GRYCIOLGSA-N -1 0 321.381 -0.030 20 0 DBADRM Cc1nc(C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)c[nH]1 ZINC001084235959 824912578 /nfs/dbraw/zinc/91/25/78/824912578.db2.gz UTQKZDGWVNOJDF-MWLCHTKSSA-N -1 0 317.353 -0.112 20 0 DBADRM CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001084282965 824919439 /nfs/dbraw/zinc/91/94/39/824919439.db2.gz NIFKVPKWAOMRTG-OUAUKWLOSA-N -1 0 321.381 -0.166 20 0 DBADRM O=C(CC1(O)CCC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084333097 824927814 /nfs/dbraw/zinc/92/78/14/824927814.db2.gz BBAYJPQREUYUQO-GHMZBOCLSA-N -1 0 321.381 -0.152 20 0 DBADRM O=C(Cc1cnoc1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084600737 824954962 /nfs/dbraw/zinc/95/49/62/824954962.db2.gz CEJMFDGERCGJHV-GHMZBOCLSA-N -1 0 318.337 -0.226 20 0 DBADRM O=C(Cc1ncc[nH]1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084741798 824972270 /nfs/dbraw/zinc/97/22/70/824972270.db2.gz RBMYTRPYYAXTPZ-NXEZZACHSA-N -1 0 317.353 -0.491 20 0 DBADRM O=C(COCC(F)F)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114618353 828717805 /nfs/dbraw/zinc/71/78/05/828717805.db2.gz BYTIZBOAELINMD-IIDWOEFGSA-N -1 0 317.296 -0.662 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)C1=COCCO1 ZINC001085469548 825019948 /nfs/dbraw/zinc/01/99/48/825019948.db2.gz STAACESRXYVAAJ-VIFPVBQESA-N -1 0 309.326 -0.569 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cnn(C)c1 ZINC001085480674 825024550 /nfs/dbraw/zinc/02/45/50/825024550.db2.gz QJDQDCURQBXNPB-SNVBAGLBSA-N -1 0 305.342 -0.410 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ccnn1C ZINC001085512003 825030673 /nfs/dbraw/zinc/03/06/73/825030673.db2.gz JODRNEILYLQMPM-VIFPVBQESA-N -1 0 305.342 -0.410 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cccc(=O)[nH]1 ZINC001085532918 825038027 /nfs/dbraw/zinc/03/80/27/825038027.db2.gz XSTZTNGIPKYEJG-SECBINFHSA-N -1 0 318.337 -0.043 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cc[nH]c(=O)c1 ZINC001085543490 825038671 /nfs/dbraw/zinc/03/86/71/825038671.db2.gz YMNVZCXVHUQNCE-JTQLQIEISA-N -1 0 318.337 -0.043 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCNC(=O)C1 ZINC001085543693 825039877 /nfs/dbraw/zinc/03/98/77/825039877.db2.gz CMMYLDDVFWMMFM-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2CC(=O)N(C)C)c1[O-] ZINC001085549781 825041069 /nfs/dbraw/zinc/04/10/69/825041069.db2.gz DHVIBMLNWDRKNM-SNVBAGLBSA-N -1 0 309.370 -0.342 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)cnn1 ZINC001085567127 825045306 /nfs/dbraw/zinc/04/53/06/825045306.db2.gz ZXTBCJFHTKUMQO-NSHDSACASA-N -1 0 317.353 -0.045 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCCNC1=O ZINC001085653768 825072687 /nfs/dbraw/zinc/07/26/87/825072687.db2.gz YUHUYNBSNNEWKL-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCC(=O)NC1 ZINC001085688115 825084337 /nfs/dbraw/zinc/08/43/37/825084337.db2.gz BVLGYSAARGXNRE-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1n[nH]nc1C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085757951 825098271 /nfs/dbraw/zinc/09/82/71/825098271.db2.gz VGHMACUFEASJHT-QMMMGPOBSA-N -1 0 306.330 -0.717 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001085769160 825104593 /nfs/dbraw/zinc/10/45/93/825104593.db2.gz BVQQUCMFAJKFAE-SVDPJWKOSA-N -1 0 307.354 -0.565 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCN(C)C1=O ZINC001085771124 825107125 /nfs/dbraw/zinc/10/71/25/825107125.db2.gz VCPXMFMXMJTMCG-VHSXEESVSA-N -1 0 322.369 -0.979 20 0 DBADRM Cc1c[nH]c(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001085864020 825125452 /nfs/dbraw/zinc/12/54/52/825125452.db2.gz PZNDSZKKGDLUIB-SECBINFHSA-N -1 0 305.342 -0.112 20 0 DBADRM CN(C[C@@H]1CCN1CC(N)=O)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001085924380 825138753 /nfs/dbraw/zinc/13/87/53/825138753.db2.gz VETWXWYKCJWVGF-QMMMGPOBSA-N -1 0 319.321 -0.440 20 0 DBADRM Cc1nc[nH]c1C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001086005193 825155870 /nfs/dbraw/zinc/15/58/70/825155870.db2.gz ZIJQVVHMXHDIKG-SECBINFHSA-N -1 0 305.342 -0.112 20 0 DBADRM O=C(CCc1cn[nH]c1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114954510 828764255 /nfs/dbraw/zinc/76/42/55/828764255.db2.gz RFJJTYCCRMMXDJ-IWIIMEHWSA-N -1 0 317.353 -0.587 20 0 DBADRM C[C@H](CCCNc1ncccn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001114974035 828766941 /nfs/dbraw/zinc/76/69/41/828766941.db2.gz WUMMRRYVUKWKBL-SECBINFHSA-N -1 0 321.341 -0.124 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087685557 825351903 /nfs/dbraw/zinc/35/19/03/825351903.db2.gz SEHXFMPXKIJHDE-LPEHRKFASA-N -1 0 322.369 -0.885 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087802827 825363132 /nfs/dbraw/zinc/36/31/32/825363132.db2.gz NFUVBJWTVDFDST-LPEHRKFASA-N -1 0 322.369 -0.742 20 0 DBADRM O=C(c1cn[nH]c1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001087894924 825370585 /nfs/dbraw/zinc/37/05/85/825370585.db2.gz KWJJZKQVCYCNEI-KOLCDFICSA-N -1 0 317.353 -0.173 20 0 DBADRM O=C(c1ncc[nH]1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001087960152 825382292 /nfs/dbraw/zinc/38/22/92/825382292.db2.gz GMIFKAUFFIZTHB-ZJUUUORDSA-N -1 0 317.353 -0.173 20 0 DBADRM O=C(c1nc[nH]n1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001088144541 825402830 /nfs/dbraw/zinc/40/28/30/825402830.db2.gz OLIWOMKLSOHAMB-BDAKNGLRSA-N -1 0 318.341 -0.778 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088554151 825438717 /nfs/dbraw/zinc/43/87/17/825438717.db2.gz VJWQAZWLQWEKPZ-SFYZADRCSA-N -1 0 306.330 -0.968 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088691126 825451869 /nfs/dbraw/zinc/45/18/69/825451869.db2.gz CEQITCOJGMJBGZ-BBBLOLIVSA-N -1 0 322.369 -0.885 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCCN1C(=O)c1nc[nH]n1 ZINC001089241760 825498300 /nfs/dbraw/zinc/49/83/00/825498300.db2.gz KJICLYUERFMUGJ-VIFPVBQESA-N -1 0 320.357 -0.245 20 0 DBADRM C[C@H](C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1ncccn1 ZINC001089359833 825499659 /nfs/dbraw/zinc/49/96/59/825499659.db2.gz TWIKOIHIBGIUGW-DTWKUNHWSA-N -1 0 321.341 -0.125 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CCCC1 ZINC001090007252 825544182 /nfs/dbraw/zinc/54/41/82/825544182.db2.gz QKIQCDZJLXWDIW-GHMZBOCLSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccccn1 ZINC001090013756 825546236 /nfs/dbraw/zinc/54/62/36/825546236.db2.gz OUDNWHFORBQDOO-GXSJLCMTSA-N -1 0 318.337 -0.730 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cccnc1 ZINC001090016925 825547284 /nfs/dbraw/zinc/54/72/84/825547284.db2.gz QGJNZMJTAXAVIN-QWRGUYRKSA-N -1 0 318.337 -0.730 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccco1 ZINC001090018420 825547839 /nfs/dbraw/zinc/54/78/39/825547839.db2.gz CBMZDWDCBVUIEH-RKDXNWHRSA-N -1 0 307.310 -0.532 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cccs1 ZINC001090039787 825551542 /nfs/dbraw/zinc/55/15/42/825551542.db2.gz YQJLQMTWRIAPKK-BDAKNGLRSA-N -1 0 323.378 -0.063 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccc[nH]1 ZINC001090077299 825558711 /nfs/dbraw/zinc/55/87/11/825558711.db2.gz QQAWXSRRDRDSOM-WPRPVWTQSA-N -1 0 306.326 -0.796 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccc[nH]1 ZINC001090077296 825559014 /nfs/dbraw/zinc/55/90/14/825559014.db2.gz QQAWXSRRDRDSOM-PSASIEDQSA-N -1 0 306.326 -0.796 20 0 DBADRM Cc1ccoc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090083656 825561785 /nfs/dbraw/zinc/56/17/85/825561785.db2.gz OASIYSPNPNPLNO-ZJUUUORDSA-N -1 0 321.337 -0.223 20 0 DBADRM Cc1ocnc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090117995 825574570 /nfs/dbraw/zinc/57/45/70/825574570.db2.gz FDMUWGLOGGLZPC-DTWKUNHWSA-N -1 0 322.325 -0.828 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1=COCCC1 ZINC001090126609 825575557 /nfs/dbraw/zinc/57/55/57/825575557.db2.gz ZDCMWOBDUWCEST-QWRGUYRKSA-N -1 0 323.353 -0.744 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cscn1 ZINC001090135170 825579500 /nfs/dbraw/zinc/57/95/00/825579500.db2.gz UBTMPMOSJPKHLP-VXNVDRBHSA-N -1 0 324.366 -0.668 20 0 DBADRM O=C(CC1CCC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090167671 825588174 /nfs/dbraw/zinc/58/81/74/825588174.db2.gz WXUATJFUJNEHOW-GHMZBOCLSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1=CCCC1 ZINC001090187956 825591617 /nfs/dbraw/zinc/59/16/17/825591617.db2.gz AAVOCXQYJGNYQY-QWRGUYRKSA-N -1 0 307.354 -0.328 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ccon3)C[C@@H]2O)c1[O-] ZINC001090202516 825595331 /nfs/dbraw/zinc/59/53/31/825595331.db2.gz YVKRJUNSULQZPZ-QWRGUYRKSA-N -1 0 321.337 -0.223 20 0 DBADRM O=C(Cc1ccoc1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090213258 825598470 /nfs/dbraw/zinc/59/84/70/825598470.db2.gz IITUHLPNTNECNZ-WDEREUQCSA-N -1 0 321.337 -0.603 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)co1 ZINC001090225866 825601695 /nfs/dbraw/zinc/60/16/95/825601695.db2.gz QOJNPAYZEZPRJI-GHMZBOCLSA-N -1 0 321.337 -0.223 20 0 DBADRM Cc1cc[nH]c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090237556 825605231 /nfs/dbraw/zinc/60/52/31/825605231.db2.gz PDYXSFYMFWEEGS-ZJUUUORDSA-N -1 0 320.353 -0.488 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cc[nH]c1 ZINC001090290132 825622336 /nfs/dbraw/zinc/62/23/36/825622336.db2.gz QVOUFZVSBAVSJJ-NXEZZACHSA-N -1 0 306.326 -0.796 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1(C2CC2)CC1 ZINC001090347101 825644912 /nfs/dbraw/zinc/64/49/12/825644912.db2.gz MDIUOGCIOSWNKC-WDEREUQCSA-N -1 0 321.381 -0.248 20 0 DBADRM Cc1cocc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090498351 825720901 /nfs/dbraw/zinc/72/09/01/825720901.db2.gz ZYINHUJUQHFIIO-WDEREUQCSA-N -1 0 321.337 -0.223 20 0 DBADRM O=C(N[C@H]1CCN(CCF)C[C@@H]1O)c1c[n-]n2c1nccc2=O ZINC001090631902 825769906 /nfs/dbraw/zinc/76/99/06/825769906.db2.gz XUXAQCGJJGVYRN-QWRGUYRKSA-N -1 0 323.328 -0.843 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CN(CC(N)=O)C[C@@]3(C)C2)c1[O-] ZINC001091600780 825971373 /nfs/dbraw/zinc/97/13/73/825971373.db2.gz BFYAICHSFJOGGP-OTYXRUKQSA-N -1 0 307.354 -0.697 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNc2ccc3nccnc3n2)c1[O-] ZINC001093585188 826146045 /nfs/dbraw/zinc/14/60/45/826146045.db2.gz GFJZOFZAECQFGN-UHFFFAOYSA-N -1 0 313.321 -0.023 20 0 DBADRM Cc1cccnc1O[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2nnn[n-]2)C1 ZINC001161393381 833012175 /nfs/dbraw/zinc/01/21/75/833012175.db2.gz GBIVRLLSRPWCPF-MNOVXSKESA-N -1 0 317.353 -0.547 20 0 DBADRM Cc1cc(NCCNC(=O)CCCn2c(=O)[n-][nH]c2=O)ncn1 ZINC001093962839 826182658 /nfs/dbraw/zinc/18/26/58/826182658.db2.gz XXKWHVOOJBTEPI-UHFFFAOYSA-N -1 0 321.341 -0.204 20 0 DBADRM Cc1ccc(NCCNC(=O)CCCn2c(=O)[n-][nH]c2=O)nn1 ZINC001093962639 826182870 /nfs/dbraw/zinc/18/28/70/826182870.db2.gz QNMUQAYANCIPLT-UHFFFAOYSA-N -1 0 321.341 -0.204 20 0 DBADRM O=C(NCCNc1nc(C2CC2)ns1)c1n[nH]c(=O)[n-]c1=O ZINC001094253829 826210775 /nfs/dbraw/zinc/21/07/75/826210775.db2.gz ZGEFKAVQQZJAMT-UHFFFAOYSA-N -1 0 323.338 -0.146 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCNc1cc(F)ncn1 ZINC001094256823 826211608 /nfs/dbraw/zinc/21/16/08/826211608.db2.gz MBXUNMQRZYXOOJ-UHFFFAOYSA-N -1 0 323.288 -0.627 20 0 DBADRM Cc1nccc(NCCCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001094697425 826260072 /nfs/dbraw/zinc/26/00/72/826260072.db2.gz JGICDRCWCIEVTH-UHFFFAOYSA-N -1 0 318.337 -0.184 20 0 DBADRM CCCN1CC(N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])CC2=O)C1 ZINC001094721858 826270489 /nfs/dbraw/zinc/27/04/89/826270489.db2.gz MCOALEURKKJQSN-JTQLQIEISA-N -1 0 321.381 -0.151 20 0 DBADRM O=C(NCCCNc1cnc(F)cn1)c1n[nH]c(=O)[n-]c1=O ZINC001094887623 826298172 /nfs/dbraw/zinc/29/81/72/826298172.db2.gz BQBDEIBUNTTYDJ-UHFFFAOYSA-N -1 0 309.261 -0.556 20 0 DBADRM CNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C)c1[O-])C2 ZINC001095316224 826316748 /nfs/dbraw/zinc/31/67/48/826316748.db2.gz JPFYSSWNAKFUJP-VLEAKVRGSA-N -1 0 321.381 -0.107 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)n1 ZINC001096164016 826361446 /nfs/dbraw/zinc/36/14/46/826361446.db2.gz MWVYYUBSNNTCGM-WEDXCCLWSA-N -1 0 318.341 -0.826 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1ncccn1 ZINC001096215778 826363099 /nfs/dbraw/zinc/36/30/99/826363099.db2.gz INSJHAHBTUPDAR-UTLUCORTSA-N -1 0 315.337 -0.164 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@@H]1CCC(=O)N1 ZINC001096380021 826377566 /nfs/dbraw/zinc/37/75/66/826377566.db2.gz AMJBKKCORNYOCY-KATARQTJSA-N -1 0 320.353 -0.990 20 0 DBADRM CNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1[O-])C2 ZINC001096960176 826403833 /nfs/dbraw/zinc/40/38/33/826403833.db2.gz FGNVAJLZFXVSHI-BBBLOLIVSA-N -1 0 307.354 -0.495 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1csnn1 ZINC001097591051 826423088 /nfs/dbraw/zinc/42/30/88/826423088.db2.gz XFMUAGYIYVQIOF-BHNWBGBOSA-N -1 0 321.366 -0.103 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)Nc2ccc3nnnn3n2)c1[O-] ZINC001097805248 826435113 /nfs/dbraw/zinc/43/51/13/826435113.db2.gz SSDKYHHQHUEBPE-LURJTMIESA-N -1 0 317.313 -0.513 20 0 DBADRM COc1ccnc(N[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001097976489 826443546 /nfs/dbraw/zinc/44/35/46/826443546.db2.gz JLGGVVGBDATTAI-ZETCQYMHSA-N -1 0 323.313 -0.895 20 0 DBADRM O=C(Cc1ncc[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001098103755 826449989 /nfs/dbraw/zinc/44/99/89/826449989.db2.gz UVCMKKBTYVXTOZ-BBBLOLIVSA-N -1 0 317.353 -0.302 20 0 DBADRM Cc1nccc(N[C@H](C)CNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001098178252 826452882 /nfs/dbraw/zinc/45/28/82/826452882.db2.gz GUPDQZNAKVQTKH-MRVPVSSYSA-N -1 0 318.337 -0.185 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)Nc1nccnc1F ZINC001098178124 826452953 /nfs/dbraw/zinc/45/29/53/826452953.db2.gz BVNMQBKAGUMMGK-SSDOTTSWSA-N -1 0 322.300 -0.355 20 0 DBADRM Cc1nccc(N[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001098435471 826482187 /nfs/dbraw/zinc/48/21/87/826482187.db2.gz OGGGWJPJGJTCNN-LURJTMIESA-N -1 0 305.298 -0.388 20 0 DBADRM Cc1cc(C)nc(N[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001098435390 826482296 /nfs/dbraw/zinc/48/22/96/826482296.db2.gz MXICPKHGCCHQRV-QMMMGPOBSA-N -1 0 319.325 -0.080 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1cnc(F)cn1 ZINC001098436280 826482448 /nfs/dbraw/zinc/48/24/48/826482448.db2.gz ZKVDTEBARMIFTO-YFKPBYRVSA-N -1 0 309.261 -0.558 20 0 DBADRM Cc1nsc(N[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001098435293 826482565 /nfs/dbraw/zinc/48/25/65/826482565.db2.gz MGSINARRERSBHA-BYPYZUCNSA-N -1 0 311.327 -0.327 20 0 DBADRM Cc1cc(N[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)nc(C)n1 ZINC001098435406 826482866 /nfs/dbraw/zinc/48/28/66/826482866.db2.gz MYNIQVDXMLAXEO-ZETCQYMHSA-N -1 0 319.325 -0.080 20 0 DBADRM Cc1nccc(N[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001098435472 826482904 /nfs/dbraw/zinc/48/29/04/826482904.db2.gz OGGGWJPJGJTCNN-ZCFIWIBFSA-N -1 0 305.298 -0.388 20 0 DBADRM CC1(C)CC[C@H](CNC(=O)CC(N)=O)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001098993089 826542424 /nfs/dbraw/zinc/54/24/24/826542424.db2.gz LLRCQCYYPGPOFB-SECBINFHSA-N -1 0 324.385 -0.508 20 0 DBADRM O=C(CCNc1cccc(S(=O)(=O)[O-])n1)N1CCOCC1 ZINC001161974682 833068225 /nfs/dbraw/zinc/06/82/25/833068225.db2.gz ZVNYSAGTNUFGGY-UHFFFAOYSA-N -1 0 315.351 -0.011 20 0 DBADRM COCCOCN1C[C@@H]2CCN(C(=O)c3cc(=O)[nH][n-]3)[C@@H]2C1 ZINC001274428499 833075091 /nfs/dbraw/zinc/07/50/91/833075091.db2.gz KAQVFMBUUDSJLG-CMPLNLGQSA-N -1 0 310.354 -0.118 20 0 DBADRM CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099681442 826616766 /nfs/dbraw/zinc/61/67/66/826616766.db2.gz QJUKLPVNLCXOQY-NXEZZACHSA-N -1 0 311.386 -0.002 20 0 DBADRM C/C(=C/C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC1 ZINC001099715196 826632109 /nfs/dbraw/zinc/63/21/09/826632109.db2.gz DSKOUALGJKXLSL-REIMVRAHSA-N -1 0 321.381 -0.082 20 0 DBADRM CC/C=C(\C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099720481 826633420 /nfs/dbraw/zinc/63/34/20/826633420.db2.gz FHSNPZKSPWSNMA-MJMLHWTPSA-N -1 0 309.370 -0.082 20 0 DBADRM O=C(CC(F)(F)F)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099720320 826633851 /nfs/dbraw/zinc/63/38/51/826633851.db2.gz BPZVRLKGUBWYRB-NKWVEPMBSA-N -1 0 323.275 -0.486 20 0 DBADRM CC1(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CC1 ZINC001099927333 826731787 /nfs/dbraw/zinc/73/17/87/826731787.db2.gz AGJKGAADPNWCMY-ZJUUUORDSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1(CF)CC1 ZINC001100005442 826768825 /nfs/dbraw/zinc/76/88/25/826768825.db2.gz BOFCFEXNPCFYAZ-RKDXNWHRSA-N -1 0 313.333 -0.689 20 0 DBADRM O=C1[N-]S(=O)(=O)c2cc(N[C@@H]3CCS(=O)(=O)C3)ccc21 ZINC001162500163 833110175 /nfs/dbraw/zinc/11/01/75/833110175.db2.gz ALNLHKMHANBJJK-MRVPVSSYSA-N -1 0 316.360 -0.282 20 0 DBADRM CCn1cc(C(=O)C(=O)[N-]c2nc3nc(C)cc(=O)n3[nH]2)cn1 ZINC001274687909 833118764 /nfs/dbraw/zinc/11/87/64/833118764.db2.gz ULVMCQXBZONMAK-UHFFFAOYSA-N -1 0 315.293 -0.236 20 0 DBADRM Nc1nc(=O)[nH]cc1Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001162789271 833119283 /nfs/dbraw/zinc/11/92/83/833119283.db2.gz YFHUHVUSVPJESG-UHFFFAOYSA-N -1 0 307.291 -0.060 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ncc(F)cn1 ZINC001100416295 826962486 /nfs/dbraw/zinc/96/24/86/826962486.db2.gz XOIPYFVDRRQHAC-UHFFFAOYSA-N -1 0 309.261 -0.922 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NC[C@H]2CNC(=O)O2)nc1 ZINC001163021994 833127315 /nfs/dbraw/zinc/12/73/15/833127315.db2.gz CRAKVKCEOBXCMJ-QMMMGPOBSA-N -1 0 314.323 -0.573 20 0 DBADRM CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)c3cc(=O)n(C)[n-]3)C2)C1 ZINC001274804229 833128661 /nfs/dbraw/zinc/12/86/61/833128661.db2.gz AECKAIMMNUCEGB-UHFFFAOYSA-N -1 0 321.381 -0.638 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)c1nccc(C)n1 ZINC001100577660 826986796 /nfs/dbraw/zinc/98/67/96/826986796.db2.gz JQEQYHXBCXDSMX-UHFFFAOYSA-N -1 0 321.341 -0.570 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ncccn1 ZINC001100765326 827017502 /nfs/dbraw/zinc/01/75/02/827017502.db2.gz DKAFMYKGVUQKFY-UHFFFAOYSA-N -1 0 305.298 -0.671 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN(c2ncccn2)C1 ZINC001100997977 827061418 /nfs/dbraw/zinc/06/14/18/827061418.db2.gz XHAMLQPMGRUMOW-VIFPVBQESA-N -1 0 319.325 -0.878 20 0 DBADRM CCCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ncccn1 ZINC001101264205 827093979 /nfs/dbraw/zinc/09/39/79/827093979.db2.gz VEVVLJJIFLQSDT-UHFFFAOYSA-N -1 0 319.325 -0.281 20 0 DBADRM COc1ccnc(NCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001101719455 827140519 /nfs/dbraw/zinc/14/05/19/827140519.db2.gz YTVYKXTUYYMNAI-UHFFFAOYSA-N -1 0 323.313 -0.942 20 0 DBADRM CN(CCNc1cccc(F)n1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001101719330 827140637 /nfs/dbraw/zinc/14/06/37/827140637.db2.gz QFLSKHHSTPUPPU-UHFFFAOYSA-N -1 0 310.289 -0.206 20 0 DBADRM CN1CCN(c2cc(N[C@@H]3SC(=O)[N-]C3=O)ncn2)CC1=O ZINC001163665782 833161950 /nfs/dbraw/zinc/16/19/50/833161950.db2.gz OUMREMRLGVQULY-LLVKDONJSA-N -1 0 322.350 -0.524 20 0 DBADRM COc1cc(N[C@@H]2SC(=O)[N-]C2=O)nc([S@@](C)=O)n1 ZINC001163662167 833162024 /nfs/dbraw/zinc/16/20/24/833162024.db2.gz KSSSJMOQJAELOS-QOLSBQFWSA-N -1 0 302.337 -0.056 20 0 DBADRM CN1CCN(c2ncc(N[C@H]3SC(=O)[N-]C3=O)cn2)CC1 ZINC001163665838 833162093 /nfs/dbraw/zinc/16/20/93/833162093.db2.gz HGORIZGOEONMEY-JTQLQIEISA-N -1 0 308.367 -0.051 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1N[C@@H]1SC(=O)[N-]C1=O ZINC001163662635 833162271 /nfs/dbraw/zinc/16/22/71/833162271.db2.gz QLRXNAWEQXYPAY-SSDOTTSWSA-N -1 0 302.337 -0.090 20 0 DBADRM C[C@@]1(c2cccnc2N[C@H]2SC(=O)[N-]C2=O)NC(=O)NC1=O ZINC001163664745 833162438 /nfs/dbraw/zinc/16/24/38/833162438.db2.gz JLMCBCYXXPPMPF-UFBFGSQYSA-N -1 0 321.318 -0.143 20 0 DBADRM Cc1noc(CNCCCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001163781258 833166815 /nfs/dbraw/zinc/16/68/15/833166815.db2.gz BOQASFZUXWUNMX-UHFFFAOYSA-N -1 0 322.325 -0.913 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1nccc(C)n1 ZINC001103158565 827269018 /nfs/dbraw/zinc/26/90/18/827269018.db2.gz JLNWZNFDSDAHKW-SECBINFHSA-N -1 0 321.341 -0.205 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1ncccn1 ZINC001103158787 827269353 /nfs/dbraw/zinc/26/93/53/827269353.db2.gz PWAYUUKKHNKRMV-MRVPVSSYSA-N -1 0 307.314 -0.514 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ncccn1 ZINC001103373814 827282173 /nfs/dbraw/zinc/28/21/73/827282173.db2.gz GTCKVDAGNORHKA-SSDOTTSWSA-N -1 0 305.298 -0.307 20 0 DBADRM Cc1ccc(NC[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001104039468 827318715 /nfs/dbraw/zinc/31/87/15/827318715.db2.gz RCVQFTACXFXOBZ-MRVPVSSYSA-N -1 0 321.341 -0.348 20 0 DBADRM CN1C[C@@]2(F)CN(S(=O)(=O)c3ncc[n-]3)C[C@@]2(F)C1=O ZINC001275465367 833181917 /nfs/dbraw/zinc/18/19/17/833181917.db2.gz QBGDIVLNYYZFAE-NXEZZACHSA-N -1 0 306.294 -0.697 20 0 DBADRM Cn1[n-]c(C(=O)N2CC3(C[C@@H]3C(=O)NCC(F)F)C2)cc1=O ZINC001275610690 833194339 /nfs/dbraw/zinc/19/43/39/833194339.db2.gz YRSWPQWHNGZNSQ-SSDOTTSWSA-N -1 0 314.292 -0.031 20 0 DBADRM CC(C)[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1ncccn1 ZINC001105208873 827406344 /nfs/dbraw/zinc/40/63/44/827406344.db2.gz ISSFMELBCKIYKR-VIFPVBQESA-N -1 0 321.341 -0.268 20 0 DBADRM CC[C@@]1(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001275583978 833192774 /nfs/dbraw/zinc/19/27/74/833192774.db2.gz YWMANJNJFOVLCO-LKFCYVNXSA-N -1 0 324.385 -0.637 20 0 DBADRM Cn1[n-]c(C(=O)N2CC3(C[C@@H]3C(=O)Nc3cn[nH]c3)C2)cc1=O ZINC001275610817 833194403 /nfs/dbraw/zinc/19/44/03/833194403.db2.gz ZMIWEIVVIPFMCA-SECBINFHSA-N -1 0 316.321 -0.050 20 0 DBADRM COCCN(C)C(=O)[C@H]1CC12CN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001275610483 833194408 /nfs/dbraw/zinc/19/44/08/833194408.db2.gz UWZYPWYWBFEGGC-SNVBAGLBSA-N -1 0 322.365 -0.307 20 0 DBADRM Cn1[n-]c(C(=O)N2CC[C@@H]3C[C@@]32C(=O)NCC2COC2)cc1=O ZINC001275610646 833194574 /nfs/dbraw/zinc/19/45/74/833194574.db2.gz XKFZTJURVAPHCA-BMIGLBTASA-N -1 0 320.349 -0.507 20 0 DBADRM O=C([N-]CCNc1ncc2c(n1)OCC(=O)N2)C(F)(F)F ZINC001164243765 833197955 /nfs/dbraw/zinc/19/79/55/833197955.db2.gz DRNSPHYBRJFBEK-UHFFFAOYSA-N -1 0 305.216 -0.102 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNc2ncc(F)cn2)c1[O-] ZINC001105820157 827522317 /nfs/dbraw/zinc/52/23/17/827522317.db2.gz SJPBEYXRZCHHEW-QMMMGPOBSA-N -1 0 310.289 -0.444 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNc2cnc(F)cn2)c1[O-] ZINC001105819675 827522330 /nfs/dbraw/zinc/52/23/30/827522330.db2.gz INWRYNIDBVQEKG-ZETCQYMHSA-N -1 0 310.289 -0.444 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNc2ncc(F)cn2)c1[O-] ZINC001105820156 827522655 /nfs/dbraw/zinc/52/26/55/827522655.db2.gz SJPBEYXRZCHHEW-MRVPVSSYSA-N -1 0 310.289 -0.444 20 0 DBADRM NC(=O)c1nnc2n1CCN(C(=O)c1cc(Cl)ncc1[O-])C2 ZINC001275841642 833213273 /nfs/dbraw/zinc/21/32/73/833213273.db2.gz ZZOANXHSRVYMGN-UHFFFAOYSA-N -1 0 322.712 -0.213 20 0 DBADRM CC(C)(C)NC(=O)C12CC(NC(=O)c3c[nH]c(=O)c(=O)[n-]3)(C1)C2 ZINC001275820377 833212305 /nfs/dbraw/zinc/21/23/05/833212305.db2.gz FZBBAVLQHLPJRH-UHFFFAOYSA-N -1 0 320.349 -0.370 20 0 DBADRM COCCCN1CC(CCO)(NC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001276075541 833242202 /nfs/dbraw/zinc/24/22/02/833242202.db2.gz LFPAMWAQZITZNB-UHFFFAOYSA-N -1 0 324.381 -0.306 20 0 DBADRM O=C(NCc1c[nH]cn1)[C@@]12C[C@@H]1CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276022875 833236167 /nfs/dbraw/zinc/23/61/67/833236167.db2.gz MPRLPGXBXFRABI-XLKFXECMSA-N -1 0 316.321 -0.383 20 0 DBADRM CCN1CCO[C@@](C)(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001108113116 827898117 /nfs/dbraw/zinc/89/81/17/827898117.db2.gz FUEYMWJHSKPUES-AWEZNQCLSA-N -1 0 310.354 -0.674 20 0 DBADRM C[C@H](CNc1ncc(F)cn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001108208688 827920837 /nfs/dbraw/zinc/92/08/37/827920837.db2.gz NZIHCBFLRFETBV-RXMQYKEDSA-N -1 0 309.261 -0.558 20 0 DBADRM Cc1nccc(NC[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001108208385 827920880 /nfs/dbraw/zinc/92/08/80/827920880.db2.gz GNZLAHZWKGCLPB-ZCFIWIBFSA-N -1 0 305.298 -0.388 20 0 DBADRM Cc1cc(C)nc(NC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001108466043 827979755 /nfs/dbraw/zinc/97/97/55/827979755.db2.gz KETKDOOWUOFJMQ-VIFPVBQESA-N -1 0 321.341 -0.287 20 0 DBADRM C[C@@H](CNc1nccnc1F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001108466075 827980492 /nfs/dbraw/zinc/98/04/92/827980492.db2.gz LJPQDTQEUFMEMV-LURJTMIESA-N -1 0 311.277 -0.765 20 0 DBADRM C[C@@H](CNc1ncccn1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001108634246 828032399 /nfs/dbraw/zinc/03/23/99/828032399.db2.gz LJSHPTBVUOWBDS-QMMMGPOBSA-N -1 0 304.310 -0.494 20 0 DBADRM COC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001108986802 828077205 /nfs/dbraw/zinc/07/72/05/828077205.db2.gz ZLRGGMJVDXYSHH-VGMNWLOBSA-N -1 0 324.341 -0.912 20 0 DBADRM C[C@@H](CN(C)c1ncccn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001109043773 828080647 /nfs/dbraw/zinc/08/06/47/828080647.db2.gz GJWUUXAKEDJMIW-QMMMGPOBSA-N -1 0 307.314 -0.880 20 0 DBADRM CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C)c1[O-])C2 ZINC001109150744 828093456 /nfs/dbraw/zinc/09/34/56/828093456.db2.gz FEXBIWKQAWOYKM-VWYCJHECSA-N -1 0 321.381 -0.105 20 0 DBADRM C[C@@H](CN(C)c1cnc(F)cn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001109309467 828109492 /nfs/dbraw/zinc/10/94/92/828109492.db2.gz GYJJTVGMPLFQFR-LURJTMIESA-N -1 0 323.288 -0.533 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(Nc2ncc(F)cn2)CC1 ZINC001110195361 828157373 /nfs/dbraw/zinc/15/73/73/828157373.db2.gz DNAQAHBJHBQEMT-UHFFFAOYSA-N -1 0 323.288 -0.621 20 0 DBADRM COC(=O)[C@H]1Cc2cc(N[C@@H]3CO[N-]C3=O)cnc2NC1=O ZINC001167519098 833301996 /nfs/dbraw/zinc/30/19/96/833301996.db2.gz DIXUBADQCYBFQE-DTWKUNHWSA-N -1 0 306.278 -0.793 20 0 DBADRM CCOC(=O)[C@@H]1NC(=O)c2cc(N[C@@H]3CO[N-]C3=O)ccc2O1 ZINC001167519030 833302022 /nfs/dbraw/zinc/30/20/22/833302022.db2.gz AGOQEUBKCFXMGS-NOZJJQNGSA-N -1 0 321.289 -0.460 20 0 DBADRM O=C1[N-]OC[C@H]1Nc1nc2ncsc2c(N2CCOCC2)n1 ZINC001167511057 833302044 /nfs/dbraw/zinc/30/20/44/833302044.db2.gz OLLNVFBBXYGJIH-SSDOTTSWSA-N -1 0 322.350 -0.235 20 0 DBADRM NC(=O)C1CCN(c2cc(N[C@@H]3CO[N-]C3=O)ncn2)CC1 ZINC001167511088 833302102 /nfs/dbraw/zinc/30/21/02/833302102.db2.gz PPYMLAWFJIQMOY-SECBINFHSA-N -1 0 306.326 -0.980 20 0 DBADRM C[C@H]1[C@H](Nc2ncnc3scnc32)C(=O)N1S(=O)(=O)[O-] ZINC001167858607 833311619 /nfs/dbraw/zinc/31/16/19/833311619.db2.gz PTDRDJCSJNGSDC-WHFBIAKZSA-N -1 0 315.336 -0.100 20 0 DBADRM CCOc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc(C)n1 ZINC001167858217 833311641 /nfs/dbraw/zinc/31/16/41/833311641.db2.gz LZAGMEPWBLFVGQ-WKEGUHRASA-N -1 0 316.339 -0.002 20 0 DBADRM C[C@H]1[C@H](Nc2ncnc3ccn(C)c32)C(=O)N1S(=O)(=O)[O-] ZINC001167857508 833311674 /nfs/dbraw/zinc/31/16/74/833311674.db2.gz CRFYWDIFUWJVMG-XPUUQOCRSA-N -1 0 311.323 -0.218 20 0 DBADRM Cc1c(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cccc1C(N)=O ZINC001167860662 833312028 /nfs/dbraw/zinc/31/20/28/833312028.db2.gz CMENJOJQGLLEKW-XVKPBYJWSA-N -1 0 313.335 -0.092 20 0 DBADRM C[C@H]1[C@H](Nc2nccnc2OC(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001167859181 833312057 /nfs/dbraw/zinc/31/20/57/833312057.db2.gz VLXDHSIVIQJHSK-WHFBIAKZSA-N -1 0 324.265 -0.108 20 0 DBADRM C[C@H]1[C@H](Nc2cnc([S@@](C)=O)nc2)C(=O)N1S(=O)(=O)[O-] ZINC001167862498 833312390 /nfs/dbraw/zinc/31/23/90/833312390.db2.gz WMTWGRMMCYVLNX-BMNKOSQRSA-N -1 0 320.352 -0.972 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNc2cc(F)ncn2)c1[O-] ZINC001111457003 828272898 /nfs/dbraw/zinc/27/28/98/828272898.db2.gz FGLRVMWCTQVHSS-UHFFFAOYSA-N -1 0 324.316 -0.101 20 0 DBADRM Cc1cc(=O)n(-c2ccc(NC3CN(S(C)(=O)=O)C3)nn2)[n-]1 ZINC001168219141 833319613 /nfs/dbraw/zinc/31/96/13/833319613.db2.gz CSMGQLLESWRHCH-UHFFFAOYSA-N -1 0 324.366 -0.355 20 0 DBADRM CS(=O)(=O)N1CC(Nc2cccc(S(=O)(=O)[O-])c2)C1 ZINC001168226076 833319975 /nfs/dbraw/zinc/31/99/75/833319975.db2.gz ZBXKZLWHSRLOGZ-UHFFFAOYSA-N -1 0 306.365 -0.011 20 0 DBADRM O=P([O-])([O-])OCCNc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001168591699 833325524 /nfs/dbraw/zinc/32/55/24/833325524.db2.gz WPFARVMRPLVEAP-VIFPVBQESA-N -1 0 304.243 -0.262 20 0 DBADRM COc1c(NCCOP(=O)([O-])[O-])ncnc1C1C[NH2+]C1 ZINC001168591250 833325710 /nfs/dbraw/zinc/32/57/10/833325710.db2.gz LHCVTHCAOPPUKL-UHFFFAOYSA-N -1 0 304.243 -0.307 20 0 DBADRM Cc1nccc(N[C@H](C)CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001115801969 828865456 /nfs/dbraw/zinc/86/54/56/828865456.db2.gz STMLDUULGZHYTI-MRVPVSSYSA-N -1 0 321.341 -0.253 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)cn1 ZINC001168693625 833326862 /nfs/dbraw/zinc/32/68/62/833326862.db2.gz IKJVJRPLGIWZIM-RYUDHWBXSA-N -1 0 313.321 -0.128 20 0 DBADRM CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC001116041555 828873339 /nfs/dbraw/zinc/87/33/39/828873339.db2.gz JVGTWTYEXJUBAU-LURJTMIESA-N -1 0 309.355 -0.053 20 0 DBADRM Cc1cc(C(=O)NCc2nc(=O)o[n-]2)ccc1-n1cnnn1 ZINC001116421117 828894285 /nfs/dbraw/zinc/89/42/85/828894285.db2.gz PUXGOPJMHUXJHA-UHFFFAOYSA-N -1 0 301.266 -0.423 20 0 DBADRM Cn1nc(C2CCCC2)cc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC001116526452 828900802 /nfs/dbraw/zinc/90/08/02/828900802.db2.gz ZTTXUYUIBKBTGN-UHFFFAOYSA-N -1 0 318.341 -0.154 20 0 DBADRM C[C@]1(C2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)NC(=O)NC1=O ZINC001116614551 828903824 /nfs/dbraw/zinc/90/38/24/828903824.db2.gz JIHNJSYEOSYEIC-CYBMUJFWSA-N -1 0 309.322 -0.312 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC001116635504 828904609 /nfs/dbraw/zinc/90/46/09/828904609.db2.gz DBMNZBBFJJJCGX-UHFFFAOYSA-N -1 0 307.719 -0.839 20 0 DBADRM C[C@@](O)(CNC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC001116652973 828905265 /nfs/dbraw/zinc/90/52/65/828905265.db2.gz DAWMVZUHYSTKTO-CYBMUJFWSA-N -1 0 315.326 -0.951 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC001116735098 828910889 /nfs/dbraw/zinc/91/08/89/828910889.db2.gz LIQKLIOLFPVZER-SNVBAGLBSA-N -1 0 319.317 -0.102 20 0 DBADRM CO[C@H]1CCOc2c(NC(=O)C(=O)[N-]OCC(N)=O)cccc21 ZINC001116867708 828916834 /nfs/dbraw/zinc/91/68/34/828916834.db2.gz YIQRSWFOQZCMMN-JTQLQIEISA-N -1 0 323.305 -0.372 20 0 DBADRM COCCc1cc(NC(=O)C(=O)[N-]OCCSC)n(C)n1 ZINC001116882177 828917711 /nfs/dbraw/zinc/91/77/11/828917711.db2.gz QKWAGYRVAKDRPM-UHFFFAOYSA-N -1 0 316.383 -0.042 20 0 DBADRM CCn1ncc(NC(=O)C(=O)[N-]OCC(N)=O)c1C(F)(F)F ZINC001116922591 828920168 /nfs/dbraw/zinc/92/01/68/828920168.db2.gz VSDOIHQUTPKTNY-UHFFFAOYSA-N -1 0 323.231 -0.607 20 0 DBADRM O=C(NCCCO[C@@H]1CCOC1)c1c[n-]n2c1nccc2=O ZINC001116972093 828926872 /nfs/dbraw/zinc/92/68/72/828926872.db2.gz XQEBHTXLIMXMHR-SNVBAGLBSA-N -1 0 306.322 -0.052 20 0 DBADRM O=C(NCCCO[C@H]1CCOC1)c1c[n-]n2c1nccc2=O ZINC001116972091 828926929 /nfs/dbraw/zinc/92/69/29/828926929.db2.gz XQEBHTXLIMXMHR-JTQLQIEISA-N -1 0 306.322 -0.052 20 0 DBADRM Cc1nccn1CCCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001117016668 828931556 /nfs/dbraw/zinc/93/15/56/828931556.db2.gz CSSPOZWHWXCECB-GFCCVEGCSA-N -1 0 310.354 -0.218 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC001117097359 828942161 /nfs/dbraw/zinc/94/21/61/828942161.db2.gz MQPSGFPXMXAZAT-UHFFFAOYSA-N -1 0 312.229 -0.367 20 0 DBADRM C[C@H](CN1CCCC1=O)NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001117145120 828946963 /nfs/dbraw/zinc/94/69/63/828946963.db2.gz RXWVAYBDCPDLSF-MNOVXSKESA-N -1 0 313.354 -0.802 20 0 DBADRM O=C([N-]OCc1ccccc1)C(=O)NCCN1C(=O)CCC1=O ZINC001117327964 828961972 /nfs/dbraw/zinc/96/19/72/828961972.db2.gz PLYGFQCUZDDDPS-UHFFFAOYSA-N -1 0 319.317 -0.500 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC001117591932 828995636 /nfs/dbraw/zinc/99/56/36/828995636.db2.gz LVKMYUIWFCLYAG-SNVBAGLBSA-N -1 0 322.383 -0.846 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(N(C)C(C)=O)CC1 ZINC001118239987 829054104 /nfs/dbraw/zinc/05/41/04/829054104.db2.gz CHZVKQNGASHJKC-UHFFFAOYSA-N -1 0 300.359 -0.294 20 0 DBADRM COCCOC1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001118254017 829057213 /nfs/dbraw/zinc/05/72/13/829057213.db2.gz AOILZXDGMAZMCI-UHFFFAOYSA-N -1 0 316.354 -0.379 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)N3CCC3)CC2)C1 ZINC001118265508 829059275 /nfs/dbraw/zinc/05/92/75/829059275.db2.gz QGRJBJOEHCFIAW-SNVBAGLBSA-N -1 0 323.349 -0.857 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC001118272413 829060515 /nfs/dbraw/zinc/06/05/15/829060515.db2.gz XREPXWFWARYIRW-UHFFFAOYSA-N -1 0 315.351 -0.727 20 0 DBADRM O=C([O-])c1ccc(N2C(=O)C[C@@H](N3C[C@@H](O)[C@@H](O)C3)C2=O)cc1 ZINC001118278102 829061208 /nfs/dbraw/zinc/06/12/08/829061208.db2.gz SGFGZFONBZMOIB-UTUOFQBUSA-N -1 0 320.301 -0.946 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)CCc1ccco1 ZINC001118278803 829061652 /nfs/dbraw/zinc/06/16/52/829061652.db2.gz MHDGUCLQJFMTDI-SNVBAGLBSA-N -1 0 311.338 -0.099 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC(C)(C)OC(C)(C)C1 ZINC001118301831 829065131 /nfs/dbraw/zinc/06/51/31/829065131.db2.gz VIDWELXQRCYOOJ-UHFFFAOYSA-N -1 0 315.370 -0.414 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001118301863 829065453 /nfs/dbraw/zinc/06/54/53/829065453.db2.gz VNZMHRIHVZOJMJ-WDEREUQCSA-N -1 0 313.354 -0.945 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@H]1CC(=O)N(CC)C1 ZINC001118301210 829065530 /nfs/dbraw/zinc/06/55/30/829065530.db2.gz MSQCILFAECAYDJ-SNVBAGLBSA-N -1 0 301.343 -0.945 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@]1(C)CCCO ZINC001118301969 829065678 /nfs/dbraw/zinc/06/56/78/829065678.db2.gz XEZPOWHWKDOBBU-CQSZACIVSA-N -1 0 315.370 -0.676 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC001118312690 829066788 /nfs/dbraw/zinc/06/67/88/829066788.db2.gz DWIDOSVOBSQNFB-UHFFFAOYSA-N -1 0 321.289 -0.521 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC001118313865 829068113 /nfs/dbraw/zinc/06/81/13/829068113.db2.gz RJFGUVHUTGEQQA-UHFFFAOYSA-N -1 0 312.330 -0.845 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)C(=O)NC[C@H](C)C(=O)[O-])s1 ZINC001118326251 829069225 /nfs/dbraw/zinc/06/92/25/829069225.db2.gz QSOMWLRNMXANMD-WDSKDSINSA-N -1 0 300.340 -0.139 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1cccc2c1CNC2=O)C(=O)[O-] ZINC001118326186 829069495 /nfs/dbraw/zinc/06/94/95/829069495.db2.gz RBEOQRAGXFKDTG-ZETCQYMHSA-N -1 0 305.290 -0.295 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)c1ncn(C)n1)C(=O)[O-] ZINC001118390884 829079279 /nfs/dbraw/zinc/07/92/79/829079279.db2.gz ZNDSDQAHKYRDAX-RKDXNWHRSA-N -1 0 311.342 -0.535 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2C(=O)NC3(CCC(=O)CC3)C2=O)C1=O ZINC001118516189 829097928 /nfs/dbraw/zinc/09/79/28/829097928.db2.gz BGWNXUKMIRPFAG-SECBINFHSA-N -1 0 323.305 -0.894 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001118535579 829101931 /nfs/dbraw/zinc/10/19/31/829101931.db2.gz AYWLFFYYLGFGJC-FPVGNUTFSA-N -1 0 318.395 -0.417 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NC[C@@H]1COCCO1 ZINC001118543080 829102348 /nfs/dbraw/zinc/10/23/48/829102348.db2.gz VLHFRFBKDOBGTK-MRVPVSSYSA-N -1 0 309.278 -0.750 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001118549280 829103805 /nfs/dbraw/zinc/10/38/05/829103805.db2.gz YEZHCBXCHGLHIO-ZJUUUORDSA-N -1 0 311.338 -0.906 20 0 DBADRM CN1CCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC001118571292 829106336 /nfs/dbraw/zinc/10/63/36/829106336.db2.gz BJUQBCGHLDPTJT-UHFFFAOYSA-N -1 0 311.382 -0.136 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC001118574549 829106863 /nfs/dbraw/zinc/10/68/63/829106863.db2.gz IYMSYCLJLNUSLH-FZMZJTMJSA-N -1 0 302.371 -0.051 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC2=C(CCC(=O)N2)C1 ZINC001118572956 829106897 /nfs/dbraw/zinc/10/68/97/829106897.db2.gz YVANDTIHVLUBJY-UHFFFAOYSA-N -1 0 309.322 -0.684 20 0 DBADRM COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC001118757063 829130286 /nfs/dbraw/zinc/13/02/86/829130286.db2.gz DQFOAQZKTKEVCD-MNOVXSKESA-N -1 0 313.354 -0.388 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1[O-] ZINC001118834911 829138569 /nfs/dbraw/zinc/13/85/69/829138569.db2.gz FSZYWCOHMRAASG-AWEZNQCLSA-N -1 0 321.337 -0.126 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cnn(CCF)c2)CCO1 ZINC001118846045 829139295 /nfs/dbraw/zinc/13/92/95/829139295.db2.gz DZNHRYRAZWAOAJ-VIFPVBQESA-N -1 0 314.273 -0.897 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCOCCCO)cn1 ZINC001118862016 829141143 /nfs/dbraw/zinc/14/11/43/829141143.db2.gz SWWDOYYMJMTVMR-UHFFFAOYSA-N -1 0 317.367 -0.418 20 0 DBADRM COCCCS(=O)(=O)NCCN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001118895566 829148827 /nfs/dbraw/zinc/14/88/27/829148827.db2.gz UPWVPDBLOGDNHZ-MNOVXSKESA-N -1 0 324.399 -0.884 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C)nc1C ZINC001118912269 829152202 /nfs/dbraw/zinc/15/22/02/829152202.db2.gz VDVAVMQADOUIAK-NSHDSACASA-N -1 0 316.383 -0.213 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC[C@@H]1CCCN1CC(F)F ZINC001118921285 829153876 /nfs/dbraw/zinc/15/38/76/829153876.db2.gz OXEGDNUGQNGNCB-QMMMGPOBSA-N -1 0 307.297 -0.577 20 0 DBADRM COC[C@@H](NC(=O)/C=C/c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC001118974292 829199909 /nfs/dbraw/zinc/19/99/09/829199909.db2.gz ZVKJRRWKOKDHNF-HYYFJVDXSA-N -1 0 317.319 -0.088 20 0 DBADRM O=C([N-]OC1CCOCC1)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001119102745 829219232 /nfs/dbraw/zinc/21/92/32/829219232.db2.gz NOYOEIHQDXCXRG-ZYHUDNBSSA-N -1 0 308.338 -0.357 20 0 DBADRM O=C([N-]OC1CCOCC1)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001119102742 829219314 /nfs/dbraw/zinc/21/93/14/829219314.db2.gz NOYOEIHQDXCXRG-CMPLNLGQSA-N -1 0 308.338 -0.357 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC001119334038 829249875 /nfs/dbraw/zinc/24/98/75/829249875.db2.gz GFACOSWNNHXVDV-MRVPVSSYSA-N -1 0 308.281 -0.150 20 0 DBADRM C[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1nnnn1C1CC1 ZINC001119350753 829251773 /nfs/dbraw/zinc/25/17/73/829251773.db2.gz IJTIKVLCFHJRBC-NKWVEPMBSA-N -1 0 310.314 -0.978 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H](C)c1nnnn1C1CC1)C(=O)[O-] ZINC001119350755 829251788 /nfs/dbraw/zinc/25/17/88/829251788.db2.gz IJTIKVLCFHJRBC-RQJHMYQMSA-N -1 0 310.314 -0.978 20 0 DBADRM C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001119390152 829256435 /nfs/dbraw/zinc/25/64/35/829256435.db2.gz SWAZFUTVZDRQLL-SDDRHHMPSA-N -1 0 311.382 -0.186 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC/C=C\c1ccccc1 ZINC001119787671 829303729 /nfs/dbraw/zinc/30/37/29/829303729.db2.gz GNCZRXKMYOUXKN-TWGQIWQCSA-N -1 0 305.334 0.000 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC001119799103 829306091 /nfs/dbraw/zinc/30/60/91/829306091.db2.gz RQFUARPPIPLIQZ-NSHDSACASA-N -1 0 309.297 -0.277 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC001119820758 829309213 /nfs/dbraw/zinc/30/92/13/829309213.db2.gz XCIRNJGANAKYQN-WCQYABFASA-N -1 0 323.324 -0.078 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCc1cnc2n1CCOC2 ZINC001119882059 829317403 /nfs/dbraw/zinc/31/74/03/829317403.db2.gz XCFSMZPXRQFSGK-UHFFFAOYSA-N -1 0 314.367 -0.560 20 0 DBADRM O=C([N-]OC1CCCCC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001120281985 829347471 /nfs/dbraw/zinc/34/74/71/829347471.db2.gz PQSUBNRNPJQEPA-SECBINFHSA-N -1 0 304.368 -0.330 20 0 DBADRM Cc1ccnc(N[C@@H](C)CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001120928142 829411700 /nfs/dbraw/zinc/41/17/00/829411700.db2.gz IKOIPNYIALLEDM-QMMMGPOBSA-N -1 0 319.325 -0.046 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)Nc2cc(F)ncn2)c1[O-] ZINC001121456562 829484211 /nfs/dbraw/zinc/48/42/11/829484211.db2.gz XATMTBMRRXVLQU-ZETCQYMHSA-N -1 0 310.289 -0.444 20 0 DBADRM CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H](OCCOC)C1 ZINC001121741164 829508445 /nfs/dbraw/zinc/50/84/45/829508445.db2.gz CQCQLIIEGRBRMH-SNVBAGLBSA-N -1 0 322.369 -0.236 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)[C@@]2(C(=O)[O-])C[NH2+]CCO2)C12CCC2 ZINC001121888139 829523136 /nfs/dbraw/zinc/52/31/36/829523136.db2.gz QBKVYGJRDOHKGI-UEKVPHQBSA-N -1 0 312.366 -0.107 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC001121917791 829527863 /nfs/dbraw/zinc/52/78/63/829527863.db2.gz OODPOALPKMKLPV-KKJSVHSVSA-N -1 0 323.349 -0.652 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001176839752 833421512 /nfs/dbraw/zinc/42/15/12/833421512.db2.gz BRRDIFXIIVZJSV-LLVKDONJSA-N -1 0 306.370 -0.007 20 0 DBADRM O=C(Cc1nnn[n-]1)Nc1ncccc1CN1CCOCC1 ZINC001176838361 833421790 /nfs/dbraw/zinc/42/17/90/833421790.db2.gz VFJYCDCNQXOLQI-UHFFFAOYSA-N -1 0 303.326 -0.392 20 0 DBADRM O=C(Cc1nnn[n-]1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001176838142 833422233 /nfs/dbraw/zinc/42/22/33/833422233.db2.gz QPJHXASOEPWPIU-VHSXEESVSA-N -1 0 300.322 -0.450 20 0 DBADRM CO[C@@H](CNC(=O)[C@]1(C(=O)[O-])C[NH2+]CCO1)C1CCCC1 ZINC001122154987 829552797 /nfs/dbraw/zinc/55/27/97/829552797.db2.gz WFHNQTIAPAFBCI-FZMZJTMJSA-N -1 0 300.355 -0.249 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCN(c2cccc3n[nH]cc32)CC1 ZINC001176841419 833423487 /nfs/dbraw/zinc/42/34/87/833423487.db2.gz ZPJGQLLTLSXYIY-UHFFFAOYSA-N -1 0 312.337 -0.033 20 0 DBADRM CCN(CC)C(=O)N1CCC(NC(=O)Cc2nnn[n-]2)CC1 ZINC001176847254 833424319 /nfs/dbraw/zinc/42/43/19/833424319.db2.gz NRIJPRBNWIARJC-UHFFFAOYSA-N -1 0 309.374 -0.215 20 0 DBADRM O=C(Cc1nnn[n-]1)NC[C@H]1CN(c2ccccc2)CCO1 ZINC001176847051 833425051 /nfs/dbraw/zinc/42/50/51/833425051.db2.gz GDAMNEZLCCATPE-LBPRGKRZSA-N -1 0 302.338 -0.236 20 0 DBADRM Cc1nc(C)n(CC(=O)NC(=N)SCCS(=O)(=O)[O-])n1 ZINC001176905318 833434917 /nfs/dbraw/zinc/43/49/17/833434917.db2.gz JJIDWYOFKGDZHT-UHFFFAOYSA-N -1 0 321.384 -0.433 20 0 DBADRM CN(C)C(=O)CN1CCO[C@H]2CN(Cc3ncccc3O)C[C@H]21 ZINC001276591561 833442142 /nfs/dbraw/zinc/44/21/42/833442142.db2.gz QFKTXPWAKPOMEW-HIFRSBDPSA-N -1 0 320.393 -0.240 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNCc2nnc3n2CCOC3)c1[O-] ZINC001125728493 829875724 /nfs/dbraw/zinc/87/57/24/829875724.db2.gz IDKNYIRQLGGBSP-UHFFFAOYSA-N -1 0 321.341 -0.935 20 0 DBADRM CCCn1nnnc1CNCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001125744309 829876783 /nfs/dbraw/zinc/87/67/83/829876783.db2.gz BCZNLPIOCUFKRF-UHFFFAOYSA-N -1 0 308.346 -0.660 20 0 DBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001180172087 833571212 /nfs/dbraw/zinc/57/12/12/833571212.db2.gz LJNKJEAMAPJKLD-RITPCOANSA-N -1 0 303.208 -0.457 20 0 DBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)NCCCc1c[nH][nH]c1=O ZINC001180176213 833571660 /nfs/dbraw/zinc/57/16/60/833571660.db2.gz RFYSWAFQXYCRQZ-YFKPBYRVSA-N -1 0 313.207 -0.030 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180176605 833571979 /nfs/dbraw/zinc/57/19/79/833571979.db2.gz IOJVFCZDIQFFGH-UHFFFAOYSA-N -1 0 324.252 -0.651 20 0 DBADRM COCCN1C[C@@H](C(=O)NCCCC[P@@](=O)([O-])O)CC1=O ZINC001180891042 833608279 /nfs/dbraw/zinc/60/82/79/833608279.db2.gz MGTWHBWJDAVPQY-JTQLQIEISA-N -1 0 322.298 -0.445 20 0 DBADRM COC(=O)/C=C/[C@@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001181324711 833626461 /nfs/dbraw/zinc/62/64/61/833626461.db2.gz ASLLHUOAKDPRCP-XCODYQFDSA-N -1 0 316.321 -0.078 20 0 DBADRM Cc1cc(CNCCNC(=O)CCc2n[nH]c(=O)[n-]c2=O)no1 ZINC001130751764 830376000 /nfs/dbraw/zinc/37/60/00/830376000.db2.gz IERVRPHBNQRJPJ-UHFFFAOYSA-N -1 0 322.325 -0.582 20 0 DBADRM CCCc1nc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001130862667 830400157 /nfs/dbraw/zinc/40/01/57/830400157.db2.gz DFJZPMHPCZUMOG-UHFFFAOYSA-N -1 0 323.313 -0.862 20 0 DBADRM Cc1nc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)oc1C ZINC001130862659 830400766 /nfs/dbraw/zinc/40/07/66/830400766.db2.gz CROKYQBRELSBOH-UHFFFAOYSA-N -1 0 308.298 -0.593 20 0 DBADRM CC(C)c1noc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001130863110 830401213 /nfs/dbraw/zinc/40/12/13/830401213.db2.gz KRFIVNNEWOEVBZ-UHFFFAOYSA-N -1 0 323.313 -0.691 20 0 DBADRM Cc1nc([C@H](C)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001130863119 830401775 /nfs/dbraw/zinc/40/17/75/830401775.db2.gz LBZMFTFPIUVMTP-YFKPBYRVSA-N -1 0 309.286 -0.945 20 0 DBADRM C[C@H](NCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1csnn1 ZINC001130863816 830401810 /nfs/dbraw/zinc/40/18/10/830401810.db2.gz VRIKVMQUOLPKSB-YFKPBYRVSA-N -1 0 311.327 -0.785 20 0 DBADRM CCc1nnc([C@@H](C)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001130865349 830402252 /nfs/dbraw/zinc/40/22/52/830402252.db2.gz VQASNJLQPXZKLB-ZCFIWIBFSA-N -1 0 323.313 -0.691 20 0 DBADRM O=C(NCCNCc1coc(C2CC2)n1)c1n[nH]c(=O)[n-]c1=O ZINC001130865167 830402515 /nfs/dbraw/zinc/40/25/15/830402515.db2.gz SBWRDBCJSUHUQB-UHFFFAOYSA-N -1 0 320.309 -0.332 20 0 DBADRM C[C@H](C(=O)N(C)c1nnn[n-]1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001131169864 830438985 /nfs/dbraw/zinc/43/89/85/830438985.db2.gz PGHNWPGMWATPIT-VGMNWLOBSA-N -1 0 306.326 -0.274 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)C(C)(C)C(N)=O)CN1Cc1n[nH]c(=O)[n-]1 ZINC001132119677 830591908 /nfs/dbraw/zinc/59/19/08/830591908.db2.gz GSYINQVSCDVZEB-IUCAKERBSA-N -1 0 324.385 -0.509 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)C(C)(C)C(N)=O)CN1Cc1n[nH]c(=O)[n-]1 ZINC001132119675 830592687 /nfs/dbraw/zinc/59/26/87/830592687.db2.gz GSYINQVSCDVZEB-BDAKNGLRSA-N -1 0 324.385 -0.509 20 0 DBADRM Cc1cc(CNCCNC(=O)c2cnc([O-])n(C)c2=O)nn1C ZINC001132242524 830612032 /nfs/dbraw/zinc/61/20/32/830612032.db2.gz QQCFIITXIANVOT-UHFFFAOYSA-N -1 0 320.353 -0.953 20 0 DBADRM Cc1cnc(CNCCNC(=O)c2cnc([O-])n(C)c2=O)nc1 ZINC001132242081 830612295 /nfs/dbraw/zinc/61/22/95/830612295.db2.gz IFSNMANHDRKQNS-UHFFFAOYSA-N -1 0 318.337 -0.896 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001132261590 830617112 /nfs/dbraw/zinc/61/71/12/830617112.db2.gz NKMYKTZBOFZRRL-RKDXNWHRSA-N -1 0 322.369 -0.755 20 0 DBADRM O=C(Cn1nc(Cl)ccc1=O)N[C@H]1SC(=O)[N-]C1=O ZINC001181894137 833648180 /nfs/dbraw/zinc/64/81/80/833648180.db2.gz OJESFLAYSYUPGG-QMMMGPOBSA-N -1 0 302.699 -0.678 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)CCCC(N)=O)CN1Cc1n[nH]c(=O)[n-]1 ZINC001132543024 830668510 /nfs/dbraw/zinc/66/85/10/830668510.db2.gz UODXPYHUMCQLKY-VHSXEESVSA-N -1 0 324.385 -0.365 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC001133557489 830788716 /nfs/dbraw/zinc/78/87/16/830788716.db2.gz NOVZCRVOFATDAS-AXFHLTTASA-N -1 0 315.333 -0.222 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C[C@@H](C)NCc2nnn(C)n2)c1[O-] ZINC001134100313 830888940 /nfs/dbraw/zinc/88/89/40/830888940.db2.gz OOIISUFPNCVGSO-HTQZYQBOSA-N -1 0 322.373 -0.366 20 0 DBADRM O=C(NCCNCc1ccon1)c1c[n-]n2c1nccc2=O ZINC001134938992 830992402 /nfs/dbraw/zinc/99/24/02/830992402.db2.gz MNDZABGIQAKKAL-UHFFFAOYSA-N -1 0 302.294 -0.470 20 0 DBADRM Cn1ccc(CNCCNC(=O)c2c[n-]n3c2nccc3=O)n1 ZINC001134939003 830992808 /nfs/dbraw/zinc/99/28/08/830992808.db2.gz MYAJAQHTLXMXJV-UHFFFAOYSA-N -1 0 315.337 -0.724 20 0 DBADRM COC(=O)C(C)(C)CC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001182536435 833680180 /nfs/dbraw/zinc/68/01/80/833680180.db2.gz PANMNAPXJGZILT-XPUUQOCRSA-N -1 0 322.339 -0.906 20 0 DBADRM Cn1ccc(NCCNC(=O)c2c[n-]n3c2nccc3=O)n1 ZINC001183647974 833725673 /nfs/dbraw/zinc/72/56/73/833725673.db2.gz QHEWWBMZNHPLCX-UHFFFAOYSA-N -1 0 301.310 -0.402 20 0 DBADRM CC(=O)N[C@H](C(=O)NCS(=O)(=O)[O-])[C@@H](C)OC(C)(C)C ZINC001183958509 833743318 /nfs/dbraw/zinc/74/33/18/833743318.db2.gz FAKRZEGKMWCAAJ-APPZFPTMSA-N -1 0 310.372 -0.344 20 0 DBADRM C[C@H]1CCC[C@H](C)N1C(=O)C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001135914245 831138129 /nfs/dbraw/zinc/13/81/29/831138129.db2.gz ZXFVVSKXIHPXEN-UWVGGRQHSA-N -1 0 324.385 -0.494 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)cc1=O ZINC001136977399 831167162 /nfs/dbraw/zinc/16/71/62/831167162.db2.gz IRKCHMUSPZHBQR-UHLUBPPHSA-N -1 0 307.310 -0.766 20 0 DBADRM O=C(C[C@@H]1CC(=O)NC1=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC001138638971 831176698 /nfs/dbraw/zinc/17/66/98/831176698.db2.gz HDWOBHRMVKQGQW-SCSAIBSYSA-N -1 0 305.216 -0.508 20 0 DBADRM NC(=O)CN1CCN(Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001138926895 831178366 /nfs/dbraw/zinc/17/83/66/831178366.db2.gz TWEGFEWJTUGYEY-UHFFFAOYSA-N -1 0 307.350 -0.247 20 0 DBADRM CC(C)(O)CO[N-]C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC001139897350 831183273 /nfs/dbraw/zinc/18/32/73/831183273.db2.gz IZPKPPSWNMLXNO-UHFFFAOYSA-N -1 0 318.351 -0.469 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)CCC(N)=O)ccc1[O-] ZINC001140367941 831185979 /nfs/dbraw/zinc/18/59/79/831185979.db2.gz BYVUGNOGIAIXKQ-UHFFFAOYSA-N -1 0 301.324 -0.496 20 0 DBADRM O=C([O-])c1ccc(CN2CC(N3CCS(=O)(=O)CC3)C2)o1 ZINC001140946701 831189001 /nfs/dbraw/zinc/18/90/01/831189001.db2.gz YPKBEAYFPCSWGY-UHFFFAOYSA-N -1 0 314.363 -0.108 20 0 DBADRM N=C(NC(=O)CCn1cccn1)SCCS(=O)(=O)[O-] ZINC001141845561 831196237 /nfs/dbraw/zinc/19/62/37/831196237.db2.gz SOIXTZXQYFZQQK-UHFFFAOYSA-N -1 0 306.369 -0.055 20 0 DBADRM O=C(Cn1cnnn1)Nc1ncc(Br)[nH]c1=O ZINC001142140673 831205724 /nfs/dbraw/zinc/20/57/24/831205724.db2.gz SNPCOQBMPFHODJ-UHFFFAOYSA-N -1 0 300.076 -0.842 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)[C@@H]1CC(=O)N(Cc2cccs2)C1 ZINC001142361150 831211989 /nfs/dbraw/zinc/21/19/89/831211989.db2.gz JHFWEZIGISFOSI-PSASIEDQSA-N -1 0 309.347 -0.357 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCC2(CC(=O)N2)CC1 ZINC001142751465 831218924 /nfs/dbraw/zinc/21/89/24/831218924.db2.gz NDJCEWQIGLXXTK-UHFFFAOYSA-N -1 0 301.306 -0.483 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)C(F)F ZINC001142791963 831219314 /nfs/dbraw/zinc/21/93/14/831219314.db2.gz ZBZXOPQOQHXROU-ZETCQYMHSA-N -1 0 304.253 -0.707 20 0 DBADRM CC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1cc(=O)[n-]c(Cl)n1 ZINC001143027064 831225446 /nfs/dbraw/zinc/22/54/46/831225446.db2.gz JPTOTQSYNYRFJU-RQJHMYQMSA-N -1 0 300.702 -0.244 20 0 DBADRM NC(=O)C1(C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)CC1 ZINC001143166315 831230099 /nfs/dbraw/zinc/23/00/99/831230099.db2.gz AXVXUUCPWUNTJB-UHFFFAOYSA-N -1 0 309.303 -0.677 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)[C@H]1CNC(=O)C1 ZINC001143297108 831235265 /nfs/dbraw/zinc/23/52/65/831235265.db2.gz GYVBBTKLKLCEOH-ZCFIWIBFSA-N -1 0 309.303 -0.807 20 0 DBADRM CNC(=O)c1cncc(C=CC(=O)N(C)Cc2nc(=O)o[n-]2)c1 ZINC001143360761 831235953 /nfs/dbraw/zinc/23/59/53/831235953.db2.gz HVVQNXQFXVNSLG-ONEGZZNKSA-N -1 0 317.305 -0.211 20 0 DBADRM CC(C)(C)OC(=O)N[C@H]1CN(C(=O)C(=O)[O-])CC12COC2 ZINC001143415958 831237017 /nfs/dbraw/zinc/23/70/17/831237017.db2.gz VYAYBCONSONXCJ-QMMMGPOBSA-N -1 0 300.311 -0.177 20 0 DBADRM O=C([O-])C(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001143419430 831237140 /nfs/dbraw/zinc/23/71/40/831237140.db2.gz MESYAFHMVCNIAO-AWEZNQCLSA-N -1 0 306.322 -0.241 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1[C@H](O)CCN1Cc1ccccc1 ZINC001143674656 831241390 /nfs/dbraw/zinc/24/13/90/831241390.db2.gz FBFBXTIWDBOTSH-YPMHNXCESA-N -1 0 317.349 -0.238 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CCCN1C(C)=O ZINC001144319830 831249253 /nfs/dbraw/zinc/24/92/53/831249253.db2.gz JTRNEXUTDFSIQE-UWVGGRQHSA-N -1 0 300.311 -0.480 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](NC(C)=O)C(C)C ZINC001144369048 831252912 /nfs/dbraw/zinc/25/29/12/831252912.db2.gz VSJUFVOLTGEFGG-GXSJLCMTSA-N -1 0 302.327 -0.330 20 0 DBADRM COCc1n[nH]c(CNC(=O)c2c[n-]n3c2nccc3=O)n1 ZINC001146246389 831272837 /nfs/dbraw/zinc/27/28/37/831272837.db2.gz ACWPNNHZAUJGKH-UHFFFAOYSA-N -1 0 303.282 -0.783 20 0 DBADRM CCOC(=O)c1sc(S(=O)(=O)[N-][C@H]2COC2=O)nc1C ZINC001184988631 833777111 /nfs/dbraw/zinc/77/71/11/833777111.db2.gz GVRYSSPJSXCOQO-LURJTMIESA-N -1 0 320.348 -0.168 20 0 DBADRM CSc1ncc([O-])c(C(=O)N[C@H]2CCS(=O)(=O)C2)n1 ZINC001185185140 833782616 /nfs/dbraw/zinc/78/26/16/833782616.db2.gz AXXPNSFGTLQIAW-LURJTMIESA-N -1 0 303.365 -0.179 20 0 DBADRM COc1cc(C(=O)NC(=N)SCCS(=O)(=O)[O-])on1 ZINC001146940964 831313038 /nfs/dbraw/zinc/31/30/38/831313038.db2.gz LLFPWBQEEDAUNN-UHFFFAOYSA-N -1 0 309.325 -0.031 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001146985337 831318034 /nfs/dbraw/zinc/31/80/34/831318034.db2.gz HLYIPYUYVHTKSA-VIFPVBQESA-N -1 0 322.369 -0.931 20 0 DBADRM CCO[C@H](C)C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001147056532 831332837 /nfs/dbraw/zinc/33/28/37/831332837.db2.gz JBNUXRSGMSDJJG-SNVBAGLBSA-N -1 0 309.370 -0.030 20 0 DBADRM N=C(NC(=O)c1cc(=O)cco1)SCCS(=O)(=O)[O-] ZINC001147612707 831386089 /nfs/dbraw/zinc/38/60/89/831386089.db2.gz CRQRHCVKPDESGX-UHFFFAOYSA-N -1 0 306.321 -0.075 20 0 DBADRM O=C(NCC[NH2+]Cc1n[nH]c(=O)[n-]1)c1ccc2oc(=O)nc-2[n-]1 ZINC001147705569 831401097 /nfs/dbraw/zinc/40/10/97/831401097.db2.gz KZYJLEISRRHLFO-UHFFFAOYSA-N -1 0 319.281 -0.728 20 0 DBADRM O=C(NCCNCc1cscn1)c1cc(=O)n2[nH]cnc2n1 ZINC001147725175 831403109 /nfs/dbraw/zinc/40/31/09/831403109.db2.gz ALPCUAMTCFEKNM-UHFFFAOYSA-N -1 0 319.350 -0.606 20 0 DBADRM Cn1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1CC(=O)[O-] ZINC001177370478 833465352 /nfs/dbraw/zinc/46/53/52/833465352.db2.gz OWBZQGBKIRXJCF-MRVPVSSYSA-N -1 0 300.336 -0.431 20 0 DBADRM Cn1ccc(C(=O)Nc2cc(=O)n(C)c(=O)[nH]2)c1CC(=O)[O-] ZINC001177369919 833465104 /nfs/dbraw/zinc/46/51/04/833465104.db2.gz XGTBHDYBGXZTOH-UHFFFAOYSA-N -1 0 306.278 -0.296 20 0 DBADRM Cn1ccc(C(=O)N2CC[C@@](C)(CO)[C@@H](O)C2)c1CC(=O)[O-] ZINC001177365186 833465189 /nfs/dbraw/zinc/46/51/89/833465189.db2.gz ZUOYDZRTOFYDLQ-WFASDCNBSA-N -1 0 310.350 -0.142 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC001148897585 831476882 /nfs/dbraw/zinc/47/68/82/831476882.db2.gz AWBVQVLHUTYSCS-UHFFFAOYSA-N -1 0 313.273 -0.130 20 0 DBADRM O=C(NC[C@H]1CCC(=O)N1)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148927741 831479248 /nfs/dbraw/zinc/47/92/48/831479248.db2.gz RTYSBJJINVPMNP-SSDOTTSWSA-N -1 0 314.319 -0.353 20 0 DBADRM C=CC(=O)NCCNC(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148928164 831479268 /nfs/dbraw/zinc/47/92/68/831479268.db2.gz WYWKZDVYXMMKGD-UHFFFAOYSA-N -1 0 314.319 -0.329 20 0 DBADRM CSCC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001149105772 831495281 /nfs/dbraw/zinc/49/52/81/831495281.db2.gz VXSLNXGGLCGPPC-VIFPVBQESA-N -1 0 315.399 -0.420 20 0 DBADRM Cc1cnn(Cc2cc(C(=O)[N-]n3ccc(=O)[nH]c3=O)no2)c1 ZINC001149617914 831555384 /nfs/dbraw/zinc/55/53/84/831555384.db2.gz WCSAXOKTPWTOKW-UHFFFAOYSA-N -1 0 316.277 -0.126 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1nc2c(=O)[nH]c3ccccc3n2n1 ZINC001149839499 831572363 /nfs/dbraw/zinc/57/23/63/831572363.db2.gz WDAHCLOSFRIPLI-UHFFFAOYSA-N -1 0 323.290 -0.854 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCN[C@@H](c2cn[nH]c2)C1 ZINC001150606408 831633656 /nfs/dbraw/zinc/63/36/56/831633656.db2.gz CBHBDAFNHZYADN-LLVKDONJSA-N -1 0 313.321 -0.468 20 0 DBADRM O=C(c1ccn2nccc2n1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001150802398 831647093 /nfs/dbraw/zinc/64/70/93/831647093.db2.gz BTTIELMYIAGHCV-VIFPVBQESA-N -1 0 300.282 -0.544 20 0 DBADRM O=C(Cc1cnn2ccccc12)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001150803296 831647364 /nfs/dbraw/zinc/64/73/64/831647364.db2.gz KUUDNTKBSGXMDP-GFCCVEGCSA-N -1 0 313.321 -0.010 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)c1nc2ccccc2[nH]c1=O ZINC001151864329 831714456 /nfs/dbraw/zinc/71/44/56/831714456.db2.gz VJJYUFIAUXOIQQ-NSHDSACASA-N -1 0 304.287 -0.038 20 0 DBADRM CCN(Cc1nnn(C)n1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001152780947 831775099 /nfs/dbraw/zinc/77/50/99/831775099.db2.gz AMTNFNUQKPVOLU-MRVPVSSYSA-N -1 0 322.373 -0.412 20 0 DBADRM CO[C@H](C(=O)OC(C)(C)C)C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001153002361 831785778 /nfs/dbraw/zinc/78/57/78/831785778.db2.gz TZFSZXAKPNDCPK-IUCAKERBSA-N -1 0 311.342 -0.128 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1 ZINC001153032776 831788015 /nfs/dbraw/zinc/78/80/15/831788015.db2.gz LXAJBVDDRFNUOZ-MRVPVSSYSA-N -1 0 313.335 -0.401 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)Cc1nnc(C)o1 ZINC001153133942 831792972 /nfs/dbraw/zinc/79/29/72/831792972.db2.gz UNBXOJWQGVBLTR-MRVPVSSYSA-N -1 0 323.357 -0.229 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1cnnn1CC ZINC001153177627 831796584 /nfs/dbraw/zinc/79/65/84/831796584.db2.gz XNGMFFXDWMYHAO-SECBINFHSA-N -1 0 322.373 -0.238 20 0 DBADRM C[C@@H](CN(C)C(=O)CN1CCCCC(=O)C1=O)c1nnn[n-]1 ZINC001153677280 831824013 /nfs/dbraw/zinc/82/40/13/831824013.db2.gz YIFWLJQHECMXID-VIFPVBQESA-N -1 0 308.342 -0.657 20 0 DBADRM O=C(c1c[n-]c2cccnc2c1=O)N1CCS(=O)(=O)CC1 ZINC001153859147 831841645 /nfs/dbraw/zinc/84/16/45/831841645.db2.gz WXLNWGSHOHKUGJ-UHFFFAOYSA-N -1 0 307.331 -0.206 20 0 DBADRM O=C(N[C@H]1CCC(=O)NC1=O)c1c[n-]c2cccnc2c1=O ZINC001153860630 831841831 /nfs/dbraw/zinc/84/18/31/831841831.db2.gz PVRALQVVPONJSH-VIFPVBQESA-N -1 0 300.274 -0.542 20 0 DBADRM COC(=O)c1cccc2c1n[nH]c2C(=O)N[C@@H]1CO[N-]C1=O ZINC001154147536 831863772 /nfs/dbraw/zinc/86/37/72/831863772.db2.gz WUHNZWNBCSWGSY-MRVPVSSYSA-N -1 0 304.262 -0.491 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cc3cccnn3c2)C(=O)N1S(=O)(=O)[O-] ZINC001154592106 831887926 /nfs/dbraw/zinc/88/79/26/831887926.db2.gz ZMKYMWWCUGBDJD-XVKPBYJWSA-N -1 0 324.318 -0.534 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)c1n[nH]c(=O)c2ncccc12 ZINC001154624718 831892555 /nfs/dbraw/zinc/89/25/55/831892555.db2.gz LAEJRYUKUFQYOO-UHFFFAOYSA-N -1 0 304.262 -0.106 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1cnc2c(c1)NC(=O)CS2 ZINC001154635794 831892811 /nfs/dbraw/zinc/89/28/11/831892811.db2.gz FLBYMKLAWPDVPS-UHFFFAOYSA-N -1 0 303.321 -0.299 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001154937690 831908706 /nfs/dbraw/zinc/90/87/06/831908706.db2.gz AANMENMFYMDPMX-MRVPVSSYSA-N -1 0 310.358 -0.898 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@@]1(C)CCNC1=O ZINC001155211609 831921822 /nfs/dbraw/zinc/92/18/22/831921822.db2.gz WGSUWWVRJCOJHT-OTYXRUKQSA-N -1 0 324.385 -0.637 20 0 DBADRM Cn1cc(C=CC(=O)N2CCC(O)(c3nnn[n-]3)CC2)cn1 ZINC001155515954 831936765 /nfs/dbraw/zinc/93/67/65/831936765.db2.gz JZCAIWJSIDJIKY-IHWYPQMZSA-N -1 0 303.326 -0.543 20 0 DBADRM O=C(C=Cc1ccncn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001155515539 831936930 /nfs/dbraw/zinc/93/69/30/831936930.db2.gz DAWFWNVHOZCTKW-UPHRSURJSA-N -1 0 301.310 -0.487 20 0 DBADRM O=C(c1cnc2c[nH]nc2c1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001155521472 831937127 /nfs/dbraw/zinc/93/71/27/831937127.db2.gz SLTNRLCTODTZPY-UHFFFAOYSA-N -1 0 314.309 -0.405 20 0 DBADRM NS(=O)(=O)c1cnc(N[C@H]2SC(=O)[N-]C2=O)c(F)c1 ZINC001155846233 831955540 /nfs/dbraw/zinc/95/55/40/831955540.db2.gz NUGQTMIPMSGFEO-ZETCQYMHSA-N -1 0 306.300 -0.411 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001156011642 831963445 /nfs/dbraw/zinc/96/34/45/831963445.db2.gz PGRPOAXXEWLVOD-SECBINFHSA-N -1 0 307.358 -0.197 20 0 DBADRM CN1c2cnc(N[C@@H]3CO[N-]C3=O)nc2N2CCC[C@@H]2C1=O ZINC001156694256 831994519 /nfs/dbraw/zinc/99/45/19/831994519.db2.gz DWBPQBWNZFRPNN-HTQZYQBOSA-N -1 0 304.310 -0.736 20 0 DBADRM C[C@H]1[C@H](Nc2ncnc3ncn(C)c32)C(=O)N1S(=O)(=O)[O-] ZINC001157067570 832018445 /nfs/dbraw/zinc/01/84/45/832018445.db2.gz HTRNCAKTULCGEJ-WDSKDSINSA-N -1 0 312.311 -0.823 20 0 DBADRM COc1nc(Cl)cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157067631 832018506 /nfs/dbraw/zinc/01/85/06/832018506.db2.gz KQPMHNXYXRXGNP-FFWSUHOLSA-N -1 0 322.730 -0.047 20 0 DBADRM COC(=O)c1cccnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001157067613 832018679 /nfs/dbraw/zinc/01/86/79/832018679.db2.gz JSUKIUFKQZZCPX-XPUUQOCRSA-N -1 0 315.307 -0.318 20 0 DBADRM C[C@H]1[C@H](Nc2cncc(N(C)C)n2)C(=O)N1S(=O)(=O)[O-] ZINC001157067690 832018793 /nfs/dbraw/zinc/01/87/93/832018793.db2.gz NPIWVQGHQDUSKP-RCOVLWMOSA-N -1 0 301.328 -0.643 20 0 DBADRM COC(=O)c1cccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157067930 832019000 /nfs/dbraw/zinc/01/90/00/832019000.db2.gz ZIXMIYVUVUJGNN-RCOVLWMOSA-N -1 0 315.307 -0.318 20 0 DBADRM C[C@H]1[C@H](Nc2ccc(-n3ccnc3)nn2)C(=O)N1S(=O)(=O)[O-] ZINC001157071144 832019048 /nfs/dbraw/zinc/01/90/48/832019048.db2.gz OXFJOOJXNYNIRX-XVKPBYJWSA-N -1 0 324.322 -0.524 20 0 DBADRM C[C@H]1[C@H](Nc2ccc(N(C)C)nn2)C(=O)N1S(=O)(=O)[O-] ZINC001157067896 832019124 /nfs/dbraw/zinc/01/91/24/832019124.db2.gz XUSCJBOAVPMIGA-RCOVLWMOSA-N -1 0 301.328 -0.643 20 0 DBADRM COc1cc(OC)nc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157067786 832019202 /nfs/dbraw/zinc/01/92/02/832019202.db2.gz SBCWWOJVQWQTDA-XNCJUZBTSA-N -1 0 318.311 -0.692 20 0 DBADRM C[C@H]1[C@H](Nc2ccc(Cl)c[n+]2[O-])C(=O)N1S(=O)(=O)[O-] ZINC001157072730 832019302 /nfs/dbraw/zinc/01/93/02/832019302.db2.gz LPULPBIAPKQRTR-XNCJUZBTSA-N -1 0 307.715 -0.213 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC001157836594 832065842 /nfs/dbraw/zinc/06/58/42/832065842.db2.gz QQCJJCZTMVWKSF-UHFFFAOYSA-N -1 0 315.351 -0.606 20 0 DBADRM CO[N-]C(=O)CNC(=O)CNc1ccc(S(C)(=O)=O)cc1 ZINC001157835808 832065948 /nfs/dbraw/zinc/06/59/48/832065948.db2.gz KOHBFTHTBRSYGA-UHFFFAOYSA-N -1 0 315.351 -0.704 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCN(C#N)CC2)nc1 ZINC001159101416 832157220 /nfs/dbraw/zinc/15/72/20/832157220.db2.gz IQLWPHKONBQASW-UHFFFAOYSA-N -1 0 309.351 -0.491 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NCC(=O)CCO)nc1 ZINC001159094388 832157576 /nfs/dbraw/zinc/15/75/76/832157576.db2.gz VYVPKVMGJTXTCY-UHFFFAOYSA-N -1 0 301.324 -0.730 20 0 DBADRM O=C([O-])Cc1nccnc1Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21 ZINC001159190622 832163626 /nfs/dbraw/zinc/16/36/26/832163626.db2.gz YSNVILPYUSWXCU-UHFFFAOYSA-N -1 0 303.238 -0.124 20 0 DBADRM CN(CC(=O)N(C)C1CC(F)(F)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654221 833803628 /nfs/dbraw/zinc/80/36/28/833803628.db2.gz OIWAPSOJQARZLF-UHFFFAOYSA-N -1 0 314.229 -0.209 20 0 DBADRM Cc1ncc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])nc1C ZINC001185654103 833803730 /nfs/dbraw/zinc/80/37/30/833803730.db2.gz MIEZMKMIIXGTLO-UHFFFAOYSA-N -1 0 316.258 -0.419 20 0 DBADRM COc1ccnc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1 ZINC001185654120 833803852 /nfs/dbraw/zinc/80/38/52/833803852.db2.gz MQYNXMJYDRZADQ-UHFFFAOYSA-N -1 0 317.242 -0.422 20 0 DBADRM Cc1ncn(C)c1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654747 833803981 /nfs/dbraw/zinc/80/39/81/833803981.db2.gz RODBROHPPNZBFA-UHFFFAOYSA-N -1 0 304.247 -0.784 20 0 DBADRM Cc1cnc(C)c(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])n1 ZINC001185654119 833804149 /nfs/dbraw/zinc/80/41/49/833804149.db2.gz MQEGFKZWNCCKBX-UHFFFAOYSA-N -1 0 316.258 -0.419 20 0 DBADRM C[C@H]1CC(=O)CCN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657278 833804919 /nfs/dbraw/zinc/80/49/19/833804919.db2.gz ROMOQHBNTLSTQB-ZETCQYMHSA-N -1 0 306.259 -0.885 20 0 DBADRM C[C@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1cnccn1 ZINC001185662400 833805173 /nfs/dbraw/zinc/80/51/73/833805173.db2.gz BKYCWWDEXPUXTE-ZETCQYMHSA-N -1 0 316.258 -0.797 20 0 DBADRM COC1CC(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185666136 833805696 /nfs/dbraw/zinc/80/56/96/833805696.db2.gz AQEJVAZVJWZDDC-UHFFFAOYSA-N -1 0 308.275 -0.924 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CCO1 ZINC001185666412 833805976 /nfs/dbraw/zinc/80/59/76/833805976.db2.gz CGLWOUYXUFLLNE-SFYZADRCSA-N -1 0 308.275 -0.781 20 0 DBADRM CN1CC[C@]2(CCCN(C(=O)Cn3nn[n-]c3=S)CC2)C1=O ZINC001269277529 832407240 /nfs/dbraw/zinc/40/72/40/832407240.db2.gz MDXTXHXRWTXURJ-ZDUSSCGKSA-N -1 0 324.410 -0.177 20 0 DBADRM CCOCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1nnn[n-]1 ZINC001269576109 832451132 /nfs/dbraw/zinc/45/11/32/832451132.db2.gz FDVIZNLHGOCYMD-GHMZBOCLSA-N -1 0 322.369 -0.629 20 0 DBADRM CC[C@@H](C)N1C[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269576439 832451193 /nfs/dbraw/zinc/45/11/93/832451193.db2.gz MAIXUYGNDQANAG-YGRLFVJLSA-N -1 0 322.369 -0.629 20 0 DBADRM COCCCN1CC[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269578102 832451878 /nfs/dbraw/zinc/45/18/78/832451878.db2.gz SBBVMCOJNODCCS-CQSZACIVSA-N -1 0 322.369 -0.770 20 0 DBADRM O=C(Cc1nnn[n-]1)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccc[nH]1 ZINC001270182734 832509253 /nfs/dbraw/zinc/50/92/53/832509253.db2.gz MAZBXMFCLIOWFK-NEPJUHHUSA-N -1 0 317.353 -0.818 20 0 DBADRM COCCOCN1CC2(C1)CCN(C(=O)Cc1nnn[n-]1)CC2 ZINC001270182704 832509602 /nfs/dbraw/zinc/50/96/02/832509602.db2.gz KWAWEPRMAJBUPV-UHFFFAOYSA-N -1 0 324.385 -0.713 20 0 DBADRM CC(C)NC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1nnn[n-]1 ZINC001270182906 832510484 /nfs/dbraw/zinc/51/04/84/832510484.db2.gz NQQMCMDVXXABDS-UWVGGRQHSA-N -1 0 307.358 -0.465 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001270182947 832510585 /nfs/dbraw/zinc/51/05/85/832510585.db2.gz OFWOFDMPWZHHLB-UHFFFAOYSA-N -1 0 316.369 -0.410 20 0 DBADRM CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nnn[n-]1 ZINC001270183420 832510600 /nfs/dbraw/zinc/51/06/00/832510600.db2.gz VURDFHMVTSGITB-FGWVZKOKSA-N -1 0 321.385 -0.028 20 0 DBADRM COCCCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001270619207 832554576 /nfs/dbraw/zinc/55/45/76/832554576.db2.gz AXYGOHDJJCDEMD-SNVBAGLBSA-N -1 0 313.358 -0.746 20 0 DBADRM CO[C@@H](C)CC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001187273373 833912820 /nfs/dbraw/zinc/91/28/20/833912820.db2.gz WYYGKZJESHEVPR-SDDRHHMPSA-N -1 0 323.397 -0.434 20 0 DBADRM CC(C)(C)NC(=O)[C@]12C[C@H]1CCN2C(=O)Cn1nn[n-]c1=S ZINC001270939122 832598425 /nfs/dbraw/zinc/59/84/25/832598425.db2.gz OJQICIAEORUDRL-OQPBUACISA-N -1 0 324.410 -0.133 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnc(F)c1 ZINC001271254058 832645404 /nfs/dbraw/zinc/64/54/04/832645404.db2.gz IOQYXJPEFSAYHX-UHFFFAOYSA-N -1 0 322.300 -0.979 20 0 DBADRM O=C(CN1CCC(=O)C1)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001187330905 833919560 /nfs/dbraw/zinc/91/95/60/833919560.db2.gz PCIHGFUYCVHJJV-UHFFFAOYSA-N -1 0 323.330 -0.668 20 0 DBADRM CSc1ncc([O-])c(C(=O)N2CC3(C2)COCC(=O)N3C)n1 ZINC001271952533 832722055 /nfs/dbraw/zinc/72/20/55/832722055.db2.gz HJIQHPVZFLQYSH-UHFFFAOYSA-N -1 0 324.362 -0.413 20 0 DBADRM NC(=O)C[C@H]1C[C@@H]2CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@@H]2O1 ZINC001272264760 832764437 /nfs/dbraw/zinc/76/44/37/832764437.db2.gz IOTUYEPHSHJZPH-PRJMDXOYSA-N -1 0 323.271 -0.844 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CC2(C1)COCC(=O)N2CC(F)F ZINC001272287662 832767530 /nfs/dbraw/zinc/76/75/30/832767530.db2.gz ZCILAPIDLPWURZ-UHFFFAOYSA-N -1 0 316.264 -0.566 20 0 DBADRM CC[C@@H](C)N1CC2(CN(C(=O)c3cc(=O)n(C)[n-]3)C2)OCC1=O ZINC001272355167 832775307 /nfs/dbraw/zinc/77/53/07/832775307.db2.gz STQSPYMUGWIXSC-SNVBAGLBSA-N -1 0 322.365 -0.022 20 0 DBADRM CN1C[C@@]2(F)CN(C(=O)c3cc(=O)n(C)[n-]3)C[C@@]2(F)C1=O ZINC001272355901 832775329 /nfs/dbraw/zinc/77/53/29/832775329.db2.gz OBCJCRJZHSIFFW-VXGBXAGGSA-N -1 0 300.265 -0.530 20 0 DBADRM O=C(CCN1C(=O)c2ccccc2C1=O)Nn1c(=O)[n-][nH]c1=O ZINC001160073055 832872019 /nfs/dbraw/zinc/87/20/19/832872019.db2.gz DNVMPIAOGIUWLG-UHFFFAOYSA-N -1 0 317.261 -0.554 20 0 DBADRM CCOC(OCC)[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001160177246 832879771 /nfs/dbraw/zinc/87/97/71/832879771.db2.gz UOFCFPAIGDTXKD-VIFPVBQESA-N -1 0 323.353 -0.025 20 0 DBADRM NC(=O)c1nnc2n1CCN(C(=O)C=C([O-])c1ccccc1)C2 ZINC001273307242 832908849 /nfs/dbraw/zinc/90/88/49/832908849.db2.gz UFGRBNCHIHEWBC-UHFFFAOYSA-N -1 0 313.317 -0.008 20 0 DBADRM CCN(CCNCc1nccs1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001273483472 832930375 /nfs/dbraw/zinc/93/03/75/832930375.db2.gz KKOHMLZZQZSHIW-UHFFFAOYSA-N -1 0 324.366 -0.009 20 0 DBADRM CCOC(=O)[C@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)C(C)C ZINC001160664261 832932070 /nfs/dbraw/zinc/93/20/70/832932070.db2.gz BSOLEYSNQOWDMP-ZETCQYMHSA-N -1 0 318.355 -0.018 20 0 DBADRM CCOC(=O)c1coc2c1CN(C(=O)[C@@H]([NH3+])Cc1nnn[n-]1)C2 ZINC001160761254 832942063 /nfs/dbraw/zinc/94/20/63/832942063.db2.gz FMUZOIHBZDUOMT-VIFPVBQESA-N -1 0 320.309 -0.618 20 0 DBADRM O=C(C[C@H]1CCCS1(=O)=O)NCCCc1n[nH]c(=O)[n-]1 ZINC001160878180 832956009 /nfs/dbraw/zinc/95/60/09/832956009.db2.gz DTCZGJQHBNHGBI-MRVPVSSYSA-N -1 0 302.356 -0.474 20 0 DBADRM O=C([O-])Cc1nccnc1NCCOCCN1C(=O)C=CC1=O ZINC001161029524 832968418 /nfs/dbraw/zinc/96/84/18/832968418.db2.gz MYASEFYGPAKMLE-UHFFFAOYSA-N -1 0 320.305 -0.543 20 0 DBADRM O=C(NCS(=O)(=O)[O-])C1CCN(c2ncccn2)CC1 ZINC001177130363 833456626 /nfs/dbraw/zinc/45/66/26/833456626.db2.gz YXCGYOSJPKXYJL-UHFFFAOYSA-N -1 0 300.340 -0.346 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)CCC(=O)Nc1nncs1 ZINC001177453547 833470205 /nfs/dbraw/zinc/47/02/05/833470205.db2.gz RXRUEROAZKBBKQ-UHFFFAOYSA-N -1 0 314.323 -0.193 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1nc2n[nH]cc2c(Cl)n1 ZINC001177736236 833480619 /nfs/dbraw/zinc/48/06/19/833480619.db2.gz GVBLDTQZEGTMSN-UHFFFAOYSA-N -1 0 311.718 -0.080 20 0 DBADRM C[C@H]1CN(C2CN(C(=O)Cn3nn[n-]c3=S)C2)C[C@H](C)O1 ZINC001177738109 833480622 /nfs/dbraw/zinc/48/06/22/833480622.db2.gz BBYLLYGYVNMNPZ-IUCAKERBSA-N -1 0 312.399 -0.718 20 0 DBADRM CCN1CC[C@@]2(CN(C(=O)Cn3nn[n-]c3=S)C[C@@H]2C)C1=O ZINC001177737634 833480695 /nfs/dbraw/zinc/48/06/95/833480695.db2.gz AAFUVVBQQPUBGL-ZANVPECISA-N -1 0 324.410 -0.321 20 0 DBADRM COC(=O)c1scnc1NC(=O)Cn1nn[n-]c1=S ZINC001177736612 833480697 /nfs/dbraw/zinc/48/06/97/833480697.db2.gz WNXYTCCZZZUXJH-UHFFFAOYSA-N -1 0 300.325 -0.156 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CCOC[C@@H]1c1cccnc1 ZINC001177739925 833481152 /nfs/dbraw/zinc/48/11/52/833481152.db2.gz VLSDVEAJHUJJOY-SNVBAGLBSA-N -1 0 306.351 -0.043 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N[C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC001177743909 833481549 /nfs/dbraw/zinc/48/15/49/833481549.db2.gz NGVULOPHHBGOLW-MRVPVSSYSA-N -1 0 306.351 -0.264 20 0 DBADRM COC(=O)C[C@@H](NC(=O)Cn1nn[n-]c1=S)c1ccccn1 ZINC001177744394 833481638 /nfs/dbraw/zinc/48/16/38/833481638.db2.gz ZJOVTDNVLSNZML-SECBINFHSA-N -1 0 322.350 -0.223 20 0 DBADRM Cn1cc2c(n1)[C@@H](CNC(=O)Cn1nn[n-]c1=S)OCC2 ZINC001177744421 833481656 /nfs/dbraw/zinc/48/16/56/833481656.db2.gz WQMHAIZICPPEEP-MRVPVSSYSA-N -1 0 309.355 -0.875 20 0 DBADRM COC(=O)[C@@](C)(NC(=O)Cn1nn[n-]c1=S)C(F)(F)F ZINC001177744367 833481716 /nfs/dbraw/zinc/48/17/16/833481716.db2.gz YCPHGEVKBUYRQT-SSDOTTSWSA-N -1 0 313.261 -0.428 20 0 DBADRM COC[C@@H](NC(=O)c1cnn(-c2cccnc2)c1)c1nnn[n-]1 ZINC001177827974 833483188 /nfs/dbraw/zinc/48/31/88/833483188.db2.gz JQJQXPUXHJEDTE-LLVKDONJSA-N -1 0 314.309 -0.102 20 0 DBADRM O=CNc1nc(CC(=O)N[C@@H]2SC(=O)[N-]C2=O)cs1 ZINC001178034818 833488814 /nfs/dbraw/zinc/48/88/14/833488814.db2.gz SZSUZDBXGPVBGC-SSDOTTSWSA-N -1 0 300.321 -0.321 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CCc2nccn2C1 ZINC001178118734 833493963 /nfs/dbraw/zinc/49/39/63/833493963.db2.gz FNSCKTVVXFGFAH-ZJUUUORDSA-N -1 0 309.322 -0.032 20 0 DBADRM O=C(NCS(=O)(=O)[O-])[C@H]1CCCN(c2ccncn2)C1 ZINC001178135866 833494806 /nfs/dbraw/zinc/49/48/06/833494806.db2.gz BPHRBMILQQJYPS-VIFPVBQESA-N -1 0 300.340 -0.346 20 0 DBADRM O=C(NCS(=O)(=O)[O-])[C@@H]1CCCN(c2ccncn2)C1 ZINC001178135865 833494855 /nfs/dbraw/zinc/49/48/55/833494855.db2.gz BPHRBMILQQJYPS-SECBINFHSA-N -1 0 300.340 -0.346 20 0 DBADRM O=C(C(=O)N1CCC(O)(COCCO)CC1)c1ccc(O)cc1 ZINC001178194499 833497189 /nfs/dbraw/zinc/49/71/89/833497189.db2.gz TYGOPISWMYPPEE-UHFFFAOYSA-N -1 0 323.345 -0.063 20 0 DBADRM O=C([O-])CN1CCCn2nc(C(=O)N3CCCCO3)cc2C1=O ZINC001178365542 833503227 /nfs/dbraw/zinc/50/32/27/833503227.db2.gz BMODDEJICYTJHO-UHFFFAOYSA-N -1 0 322.321 -0.019 20 0 DBADRM O=C(Cc1nnc(Cc2ccccc2)[nH]1)N[C@@H]1CO[N-]C1=O ZINC001178419386 833506679 /nfs/dbraw/zinc/50/66/79/833506679.db2.gz DQOYWCVIOGUVOE-SNVBAGLBSA-N -1 0 301.306 -0.516 20 0 DBADRM CC(C)(C)OC(=O)N1CC(F)(C(=O)NCS(=O)(=O)[O-])C1 ZINC001178555023 833513942 /nfs/dbraw/zinc/51/39/42/833513942.db2.gz XKSZITWEYASVKC-UHFFFAOYSA-N -1 0 312.319 -0.093 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N[C@@H]2SC(=O)[N-]C2=O)CC1 ZINC001178767257 833523587 /nfs/dbraw/zinc/52/35/87/833523587.db2.gz LGGXNSFSUVEEQS-SECBINFHSA-N -1 0 321.380 -0.917 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N[C@H]2SC(=O)[N-]C2=O)CC1 ZINC001178767258 833523621 /nfs/dbraw/zinc/52/36/21/833523621.db2.gz LGGXNSFSUVEEQS-VIFPVBQESA-N -1 0 321.380 -0.917 20 0 DBADRM Cn1c2ccccc2n(CC(=O)NCC(=O)CCC(=O)[O-])c1=O ZINC001178796866 833524505 /nfs/dbraw/zinc/52/45/05/833524505.db2.gz MMFAJOMQUASHOU-UHFFFAOYSA-N -1 0 319.317 -0.110 20 0 DBADRM O=C(NCS(=O)(=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC001178997583 833532617 /nfs/dbraw/zinc/53/26/17/833532617.db2.gz YFWZDIMZKCWTCF-GFCCVEGCSA-N -1 0 314.363 -0.151 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)CN2CCN(C(C)=O)CC2)[n-]1 ZINC001179027719 833534209 /nfs/dbraw/zinc/53/42/09/833534209.db2.gz TVIYOAQSTQUQPL-UHFFFAOYSA-N -1 0 323.353 -0.311 20 0 DBADRM CC(=O)N1CCN(CC(=O)n2[n-]c3ccnc(=O)c-3c2N)CC1 ZINC001179035302 833534621 /nfs/dbraw/zinc/53/46/21/833534621.db2.gz ASXACEREZXQPDP-UHFFFAOYSA-N -1 0 318.337 -0.937 20 0 DBADRM O=C(CCC(=O)N1CCNC(=O)CC1)Nc1cncc(O)c1 ZINC001180263761 833577403 /nfs/dbraw/zinc/57/74/03/833577403.db2.gz SUTFBUIMILJEHW-UHFFFAOYSA-N -1 0 306.322 -0.146 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CCCCC1 ZINC001180438404 833585816 /nfs/dbraw/zinc/58/58/16/833585816.db2.gz GRHXAMBPGHMPAO-DBIOUOCHSA-N -1 0 301.339 -0.760 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)CC1CCS(=O)(=O)CC1 ZINC001181543508 833634920 /nfs/dbraw/zinc/63/49/20/833634920.db2.gz JCWPYNTUOYCZKM-UHFFFAOYSA-N -1 0 305.352 -0.249 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NCS(=O)(=O)[O-] ZINC001182190216 833664221 /nfs/dbraw/zinc/66/42/21/833664221.db2.gz AOZIYFNZYHXIFD-SCZZXKLOSA-N -1 0 316.335 -0.873 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)CC(F)F ZINC001182966593 833697640 /nfs/dbraw/zinc/69/76/40/833697640.db2.gz BNTYUPSEUDSDGQ-QMMMGPOBSA-N -1 0 318.280 -0.317 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@H]2C=CN=C3N=CC=C32)C(=O)N1S(=O)(=O)[O-] ZINC001183586029 833723406 /nfs/dbraw/zinc/72/34/06/833723406.db2.gz BMSYSONGUQOXPS-XVYDVKMFSA-N -1 0 324.318 -0.943 20 0 DBADRM Nc1c(=O)c(=O)c1NC(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183902293 833740852 /nfs/dbraw/zinc/74/08/52/833740852.db2.gz IRFAANVODNZGPK-UHFFFAOYSA-N -1 0 320.257 -0.654 20 0 DBADRM C[C@@H](O)[C@@H](CO)NC(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183902110 833740872 /nfs/dbraw/zinc/74/08/72/833740872.db2.gz GZACECVVFVWDGJ-BXKDBHETSA-N -1 0 313.306 -0.613 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183908039 833741227 /nfs/dbraw/zinc/74/12/27/833741227.db2.gz ZGYJRANHXAOFKZ-SNVBAGLBSA-N -1 0 322.317 -0.124 20 0 DBADRM O=C([O-])COc1ccc(OCC(=O)NCc2cn[nH]n2)cc1 ZINC001183910794 833741271 /nfs/dbraw/zinc/74/12/71/833741271.db2.gz WYKRFWVUQPEDQD-UHFFFAOYSA-N -1 0 306.278 -0.037 20 0 DBADRM O=C([O-])COc1ccc(OCC(=O)NC[C@@H](O)CF)cc1 ZINC001183914115 833742125 /nfs/dbraw/zinc/74/21/25/833742125.db2.gz YHYJXBLPHMYVCK-VIFPVBQESA-N -1 0 301.270 -0.025 20 0 DBADRM COc1ccc(C2(C(=O)N[C@@H]3CO[N-]C3=O)CC(O)C2)cc1 ZINC001184192745 833752528 /nfs/dbraw/zinc/75/25/28/833752528.db2.gz NNWLEGFMBDGLTA-WBFHCKIUSA-N -1 0 306.318 -0.366 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1(CO)COC1 ZINC001185926757 833818255 /nfs/dbraw/zinc/81/82/55/833818255.db2.gz WZDFHFYVFFVKJN-UHFFFAOYSA-N -1 0 301.320 -0.267 20 0 DBADRM NC(=O)C1=NO[C@@H]2CN(C(=O)c3c(F)ccc(F)c3[O-])C[C@H]12 ZINC001276833195 833902128 /nfs/dbraw/zinc/90/21/28/833902128.db2.gz KGJRHFKLSGEGOM-YLWLKBPMSA-N -1 0 311.244 -0.018 20 0 DBADRM NC(=O)C1=NO[C@@H]2CN(C(=O)c3cc(F)c([O-])cc3F)C[C@H]12 ZINC001276859101 833904811 /nfs/dbraw/zinc/90/48/11/833904811.db2.gz XKTQEXIMPRQVQZ-QUBYGPBYSA-N -1 0 311.244 -0.018 20 0 DBADRM NC(=O)[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187599466 833935422 /nfs/dbraw/zinc/93/54/22/833935422.db2.gz VVDLXXDIEUGXBQ-ZETCQYMHSA-N -1 0 322.726 -0.837 20 0 DBADRM NC(=O)[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187600598 833936279 /nfs/dbraw/zinc/93/62/79/833936279.db2.gz VVDLXXDIEUGXBQ-SSDOTTSWSA-N -1 0 322.726 -0.837 20 0 DBADRM C[C@H]1Cc2nnc(C(N)=O)n2CC[N@@H+]1Cc1ncccc1O ZINC001277316278 833943717 /nfs/dbraw/zinc/94/37/17/833943717.db2.gz PYHGEURLDIFRAQ-VIFPVBQESA-N -1 0 302.338 -0.076 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1c(N)c(=O)c1=O ZINC001187986811 833961902 /nfs/dbraw/zinc/96/19/02/833961902.db2.gz MBHWKLLPSXLTNQ-UHFFFAOYSA-N -1 0 323.330 -0.121 20 0 DBADRM CC/C=C\CCN1C[C@@H]2C(C(=O)N=c3nn[n-]n3C)=NO[C@@H]2C1 ZINC001277519446 833963931 /nfs/dbraw/zinc/96/39/31/833963931.db2.gz XFXICHOIHWQDEV-NRFYAWERSA-N -1 0 319.369 -0.387 20 0 DBADRM COCc1oncc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001188331816 833977470 /nfs/dbraw/zinc/97/74/70/833977470.db2.gz OHUBZWMWLHMBPZ-QMMMGPOBSA-N -1 0 300.267 -0.043 20 0 DBADRM COCCOc1cnc([N-]S(=O)(=O)CCC(=O)OC)cn1 ZINC001188353528 833977530 /nfs/dbraw/zinc/97/75/30/833977530.db2.gz ZTTQOCUHNIZXPX-UHFFFAOYSA-N -1 0 319.339 -0.193 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccncc2[O-])CCN1C(C)=O ZINC001188637133 833996438 /nfs/dbraw/zinc/99/64/38/833996438.db2.gz SCAMONJKUIPVQR-NSHDSACASA-N -1 0 307.306 -0.367 20 0 DBADRM CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)c1ccncc1[O-])C2 ZINC001188630071 833996768 /nfs/dbraw/zinc/99/67/68/833996768.db2.gz VZOAYFXEIDIDMH-HNNXBMFYSA-N -1 0 318.333 -0.650 20 0 DBADRM COc1cc(C(=O)n2[n-]c3ccnc(=O)c-3c2N)c(OC)nn1 ZINC001189082555 834044810 /nfs/dbraw/zinc/04/48/10/834044810.db2.gz STWUBZYPCNVJHA-UHFFFAOYSA-N -1 0 316.277 -0.246 20 0 DBADRM Cc1nc(N)sc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001189293165 834063596 /nfs/dbraw/zinc/06/35/96/834063596.db2.gz SXENBYNECASZDL-WHFBIAKZSA-N -1 0 320.352 -0.834 20 0 DBADRM O=C([N-]CCNC(=O)c1cn[nH]n1)C(F)(F)Br ZINC001189360776 834069660 /nfs/dbraw/zinc/06/96/60/834069660.db2.gz JYKXHOOUJPKRHW-UHFFFAOYSA-N -1 0 312.074 -0.362 20 0 DBADRM O=C(c1ccccc1S(=O)(=O)[O-])N1CC[C@H](O)[C@H](CO)C1 ZINC001189679027 834105352 /nfs/dbraw/zinc/10/53/52/834105352.db2.gz KYJMQZBMVIWZLI-ONGXEEELSA-N -1 0 315.347 -0.251 20 0 DBADRM O=C(NCC[NH2+]CCO)c1ccccc1OP(=O)([O-])[O-] ZINC001189900315 834124956 /nfs/dbraw/zinc/12/49/56/834124956.db2.gz ZXEYLZGAMDZNGU-UHFFFAOYSA-N -1 0 304.239 -0.530 20 0 DBADRM Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190141372 834142192 /nfs/dbraw/zinc/14/21/92/834142192.db2.gz NUVLVYPFQOEFBS-UHFFFAOYSA-N -1 0 317.277 -0.007 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190189874 834145565 /nfs/dbraw/zinc/14/55/65/834145565.db2.gz NYGSQAPXEWZROU-QMMMGPOBSA-N -1 0 310.278 -0.438 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)c1ncc(F)cc1F)[C@@H](C)O ZINC001190189793 834145982 /nfs/dbraw/zinc/14/59/82/834145982.db2.gz NAXNPMXQLWYAIY-XRGYYRRGSA-N -1 0 310.278 -0.440 20 0 DBADRM CN1CCOC[C@H]1C[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190207096 834146805 /nfs/dbraw/zinc/14/68/05/834146805.db2.gz FAGRCFJHIJMKQT-SECBINFHSA-N -1 0 307.322 -0.031 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001190309193 834152387 /nfs/dbraw/zinc/15/23/87/834152387.db2.gz VPWGTCAETOALFP-UWVGGRQHSA-N -1 0 324.385 -0.542 20 0 DBADRM CCNC(=O)CO[C@H]1CCCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001190707599 834182692 /nfs/dbraw/zinc/18/26/92/834182692.db2.gz MEXBOYUSYUBMKV-JTQLQIEISA-N -1 0 316.383 -0.285 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CC2(C1)[C@H](CF)CCS2(=O)=O ZINC001190714840 834183808 /nfs/dbraw/zinc/18/38/08/834183808.db2.gz PKWNMVURRGBCEQ-QMMMGPOBSA-N -1 0 323.371 -0.443 20 0 DBADRM O=S(=O)(N[C@@H]1CCC[C@H]1N1CCOCC1)c1ncc[n-]1 ZINC001190754698 834187691 /nfs/dbraw/zinc/18/76/91/834187691.db2.gz CXYFVQNDZARBHW-GHMZBOCLSA-N -1 0 300.384 -0.059 20 0 DBADRM NC(=O)c1ccccc1OCCNS(=O)(=O)c1ncc[n-]1 ZINC001190755499 834187781 /nfs/dbraw/zinc/18/77/81/834187781.db2.gz UYKZRXCBIJTEQT-UHFFFAOYSA-N -1 0 310.335 -0.134 20 0 DBADRM NC(=O)c1ccc(OCCNS(=O)(=O)c2ncc[n-]2)cc1 ZINC001190755501 834187951 /nfs/dbraw/zinc/18/79/51/834187951.db2.gz VCVAKQQENXGXPP-UHFFFAOYSA-N -1 0 310.335 -0.134 20 0 DBADRM O=S(=O)(N[C@@H]1Oc2ccc(CCO)cc2O1)c1ncc[n-]1 ZINC001190758131 834189068 /nfs/dbraw/zinc/18/90/68/834189068.db2.gz MCIFWSODSYYDTQ-GFCCVEGCSA-N -1 0 311.319 -0.022 20 0 DBADRM Cn1c(C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)c[nH]c1=O ZINC001190997367 834212756 /nfs/dbraw/zinc/21/27/56/834212756.db2.gz JLALALHELSJLBN-UHFFFAOYSA-N -1 0 322.302 -0.190 20 0 DBADRM CC(C)SCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191135532 834225022 /nfs/dbraw/zinc/22/50/22/834225022.db2.gz ZSSYFEKRKMNIHG-RKDXNWHRSA-N -1 0 315.399 -0.687 20 0 DBADRM NC(=O)[C@H](CO)NC(=O)c1nc(Br)ccc1[O-] ZINC001191747967 834287704 /nfs/dbraw/zinc/28/77/04/834287704.db2.gz FNWJWDMYOCELFR-BYPYZUCNSA-N -1 0 304.100 -0.874 20 0 DBADRM C/C(=C\C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC1 ZINC001191408696 834249978 /nfs/dbraw/zinc/24/99/78/834249978.db2.gz JKSDMEAOWPRBBL-FVCIQNSBSA-N -1 0 307.354 -0.472 20 0 DBADRM Cc1c(C(=O)N[C@@H]2CO[N-]C2=O)c(=O)n(-c2ccccc2)n1C ZINC001191681374 834277931 /nfs/dbraw/zinc/27/79/31/834277931.db2.gz ZLEOPHOJBHWDNB-LLVKDONJSA-N -1 0 316.317 -0.356 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001191746328 834286852 /nfs/dbraw/zinc/28/68/52/834286852.db2.gz SRCKRTFEPWFUOA-IUCAKERBSA-N -1 0 310.358 -0.946 20 0 DBADRM O=C1CO[C@H](C[N-]S(=O)(=O)C(Cl)(Cl)Cl)CN1 ZINC001192050530 834321611 /nfs/dbraw/zinc/32/16/11/834321611.db2.gz VWBYNLYPHXCSPT-BYPYZUCNSA-N -1 0 311.574 -0.252 20 0 DBADRM O=C1CO[C@@H](C[N-]S(=O)(=O)C(Cl)(Cl)Cl)CN1 ZINC001192050531 834321764 /nfs/dbraw/zinc/32/17/64/834321764.db2.gz VWBYNLYPHXCSPT-SCSAIBSYSA-N -1 0 311.574 -0.252 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CNCCC2=O)ccc1O ZINC001238629571 834359675 /nfs/dbraw/zinc/35/96/75/834359675.db2.gz ZXAJSRWEFKJBKN-SECBINFHSA-N -1 0 314.319 -0.700 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)NC(CCO)CCO ZINC001238745378 834363740 /nfs/dbraw/zinc/36/37/40/834363740.db2.gz IWRVHIGYOJYVHD-UHFFFAOYSA-N -1 0 303.336 -0.204 20 0 DBADRM CCOC(=O)[C@H](N)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001238839705 834367154 /nfs/dbraw/zinc/36/71/54/834367154.db2.gz INDPDLLQJGJXCT-SNVBAGLBSA-N -1 0 316.335 -0.447 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1cc(C(=O)OC)ccc1[O-] ZINC001192399959 834371476 /nfs/dbraw/zinc/37/14/76/834371476.db2.gz LZZOJIJUNJOYLU-UHFFFAOYSA-N -1 0 324.289 -0.802 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001192471097 834384551 /nfs/dbraw/zinc/38/45/51/834384551.db2.gz BGOQBJDBQHDUFG-GHMZBOCLSA-N -1 0 324.385 -0.542 20 0 DBADRM O=C1[N-]S(=O)(=O)c2ccc(-c3cnc(NCCO)nc3)cc21 ZINC001242832963 834402545 /nfs/dbraw/zinc/40/25/45/834402545.db2.gz SNAHVRITXZACEV-UHFFFAOYSA-N -1 0 320.330 -0.020 20 0 DBADRM O=C(c1c(F)ccc(F)c1[O-])N1CC(N2CCNC(=O)C2)C1 ZINC001192703393 834411768 /nfs/dbraw/zinc/41/17/68/834411768.db2.gz UUFIFHSOIRZWBA-UHFFFAOYSA-N -1 0 311.288 -0.073 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N[C@@H]2CCNC2=O)cc1 ZINC001192738570 834416387 /nfs/dbraw/zinc/41/63/87/834416387.db2.gz STGNVEBIHKROPU-SNVBAGLBSA-N -1 0 314.319 -0.683 20 0 DBADRM CCOC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CO[N-]C1=O ZINC001192773307 834420257 /nfs/dbraw/zinc/42/02/57/834420257.db2.gz ADFMNEYVPCBSMZ-NWDGAFQWSA-N -1 0 321.333 -0.110 20 0 DBADRM O=C(c1cc(F)c([O-])cc1F)N1CC(N2CCNC(=O)C2)C1 ZINC001192866297 834433401 /nfs/dbraw/zinc/43/34/01/834433401.db2.gz CTJDMJIWOXAIJP-UHFFFAOYSA-N -1 0 311.288 -0.073 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1oncc1C(N)=O ZINC001193024584 834454718 /nfs/dbraw/zinc/45/47/18/834454718.db2.gz MKYPDMWTQXDTAW-UHFFFAOYSA-N -1 0 305.312 -0.143 20 0 DBADRM CCOC(=O)C([N-]S(=O)(=O)C(C)(C)C(=O)OCC)=C(C)O ZINC001193074544 834459129 /nfs/dbraw/zinc/45/91/29/834459129.db2.gz HMTNARBSIVAGER-SECBINFHSA-N -1 0 323.367 -0.232 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001193123845 834465270 /nfs/dbraw/zinc/46/52/70/834465270.db2.gz SKZCCJMFVRVYRP-SNVBAGLBSA-N -1 0 322.369 -0.931 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC001193131070 834467334 /nfs/dbraw/zinc/46/73/34/834467334.db2.gz CUISYFLWEXOVOM-UHFFFAOYSA-N -1 0 307.335 -0.180 20 0 DBADRM O=C1[N-]OC[C@H]1NC(=S)Nc1ccc(N2CCOCC2)nc1 ZINC001247557931 834470689 /nfs/dbraw/zinc/47/06/89/834470689.db2.gz VZXNMZKVEPGJQN-SNVBAGLBSA-N -1 0 323.378 -0.365 20 0 DBADRM CC(C)(C)OC(=O)NCCNC(=S)N[C@@H]1CO[N-]C1=O ZINC001248104322 834473357 /nfs/dbraw/zinc/47/33/57/834473357.db2.gz ZYSDSTRVBLGTHU-SSDOTTSWSA-N -1 0 304.372 -0.595 20 0 DBADRM CCOC(=O)[C@@H](CCSC)NC(=O)N[C@@H]1CO[N-]C1=O ZINC001193256278 834480042 /nfs/dbraw/zinc/48/00/42/834480042.db2.gz TZIRTHXVDIQIIM-HTQZYQBOSA-N -1 0 305.356 -0.600 20 0 DBADRM CCOC(=O)[C@@H](CCSC)NC(=O)NCS(=O)(=O)[O-] ZINC001193260308 834480449 /nfs/dbraw/zinc/48/04/49/834480449.db2.gz CEFGLZSRNSVYKL-SSDOTTSWSA-N -1 0 314.385 -0.184 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)c1cccc(OCCO)c1O ZINC001193355578 834487556 /nfs/dbraw/zinc/48/75/56/834487556.db2.gz RQTNGZHSMATADN-UHFFFAOYSA-N -1 0 311.290 -0.073 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cccc(OCCO)c1O ZINC001193353453 834487763 /nfs/dbraw/zinc/48/77/63/834487763.db2.gz RHOKSQXUSWFSHK-LLVKDONJSA-N -1 0 312.303 -0.198 20 0 DBADRM CN(C)S(=O)(=O)[N-]c1c(C(N)=O)cnn1C1CCOCC1 ZINC001251056221 834493364 /nfs/dbraw/zinc/49/33/64/834493364.db2.gz QBLCHYKFJZZRJP-UHFFFAOYSA-N -1 0 317.371 -0.448 20 0 DBADRM CN(C)S(=O)(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1O ZINC001251098201 834494414 /nfs/dbraw/zinc/49/44/14/834494414.db2.gz MGCKIWSEDLYIFC-UHFFFAOYSA-N -1 0 323.396 -0.139 20 0 DBADRM COC(=O)c1ccc(C)c(S(=O)(=O)NCS(=O)(=O)[O-])c1 ZINC001193450118 834497197 /nfs/dbraw/zinc/49/71/97/834497197.db2.gz VTRHSLIJRVDNSC-UHFFFAOYSA-N -1 0 323.348 -0.095 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@H](CS(C)(=O)=O)C1 ZINC001251350063 834497771 /nfs/dbraw/zinc/49/77/71/834497771.db2.gz MCWZLSKDYNWPEF-VIFPVBQESA-N -1 0 307.372 -0.870 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)C2(C(=O)NC3CC3)CC2)n[n-]1 ZINC001251471376 834499028 /nfs/dbraw/zinc/49/90/28/834499028.db2.gz CDQDTFMZLQAINU-UHFFFAOYSA-N -1 0 313.339 -0.795 20 0 DBADRM C[C@H]1[C@H](NS(=O)(=O)CC2CCC2)C(=O)N1S(=O)(=O)[O-] ZINC001193533124 834506382 /nfs/dbraw/zinc/50/63/82/834506382.db2.gz OGEJBCUERGOPEI-XPUUQOCRSA-N -1 0 312.369 -0.892 20 0 DBADRM COc1cc(F)c(NC(=O)C(=O)NCc2nnn[n-]2)cc1OC ZINC001251995707 834515404 /nfs/dbraw/zinc/51/54/04/834515404.db2.gz NEJGMYCYHXPTLW-UHFFFAOYSA-N -1 0 324.272 -0.389 20 0 DBADRM COC(=O)CC[C@H]([N-]S(=O)(=O)C(F)(F)F)C(=O)OC ZINC001252371747 834528518 /nfs/dbraw/zinc/52/85/18/834528518.db2.gz FMBJZEJTNKUBEP-YFKPBYRVSA-N -1 0 307.246 -0.080 20 0 DBADRM COC(=O)[C@H](O)CNc1ccc(OC)cc1S(=O)(=O)[O-] ZINC001252430091 834539224 /nfs/dbraw/zinc/53/92/24/834539224.db2.gz YNBGUWDNCKXANS-SECBINFHSA-N -1 0 305.308 -0.112 20 0 DBADRM COC(=O)[C@@H](O)CNc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001252433597 834539417 /nfs/dbraw/zinc/53/94/17/834539417.db2.gz LWLNOTSQZXGNKT-QMMMGPOBSA-N -1 0 300.292 -0.936 20 0 DBADRM COC(=O)[C@@H](O)C[NH2+]C1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001252441089 834539888 /nfs/dbraw/zinc/53/98/88/834539888.db2.gz XTOQBLVMZNVKJW-NSHDSACASA-N -1 0 315.262 -0.217 20 0 DBADRM CS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1C=C[C@@H](CO)O1 ZINC001252635878 834548038 /nfs/dbraw/zinc/54/80/38/834548038.db2.gz XPNCTQXYSKFPHG-JGVFFNPUSA-N -1 0 311.323 -0.356 20 0 DBADRM NC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193962992 834551541 /nfs/dbraw/zinc/55/15/41/834551541.db2.gz KRJFAEDOIDZHLS-UHFFFAOYSA-N -1 0 310.690 -0.059 20 0 DBADRM C[C@H]1[C@H](NC[C@](C)(O)c2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001253117383 834560960 /nfs/dbraw/zinc/56/09/60/834560960.db2.gz TYORKBKLTAAKHL-GAFUQQFSSA-N -1 0 314.363 -0.114 20 0 DBADRM Cn1c(=O)cc([N-]S(=O)(=O)CC(F)(F)F)n(C)c1=O ZINC001253218223 834566349 /nfs/dbraw/zinc/56/63/49/834566349.db2.gz PEZRXXRENPUTGI-UHFFFAOYSA-N -1 0 301.246 -0.612 20 0 DBADRM CCS(=O)(=O)N1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001253337656 834567310 /nfs/dbraw/zinc/56/73/10/834567310.db2.gz NHBNGTAGENNKPD-UHFFFAOYSA-N -1 0 314.429 -0.378 20 0 DBADRM CS(=O)(=O)c1cncc(C(=O)NCC(=O)CCC(=O)[O-])c1 ZINC001194141101 834571729 /nfs/dbraw/zinc/57/17/29/834571729.db2.gz ZOYDBQIEONBRTJ-UHFFFAOYSA-N -1 0 314.319 -0.351 20 0 DBADRM CC(=O)N1CCC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)[n-]1)CCO2 ZINC001194195033 834576463 /nfs/dbraw/zinc/57/64/63/834576463.db2.gz FNLPWWHIHBEZCB-OAHLLOKOSA-N -1 0 322.365 -0.021 20 0 DBADRM CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(=O)n(C)[n-]1 ZINC001194200139 834576755 /nfs/dbraw/zinc/57/67/55/834576755.db2.gz KZTGHHZECBPYRK-VIFPVBQESA-N -1 0 310.310 -0.981 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1ccc(=O)n(-c2ccccc2)n1 ZINC001253799894 834581352 /nfs/dbraw/zinc/58/13/52/834581352.db2.gz LTDYJDPKCRHBEZ-UHFFFAOYSA-N -1 0 313.273 -0.161 20 0 DBADRM COC(=O)c1ccccc1S(=O)(=O)NCC[P@@](=O)([O-])O ZINC001254071893 834585766 /nfs/dbraw/zinc/58/57/66/834585766.db2.gz CXAXAWJSHFCQNF-UHFFFAOYSA-N -1 0 323.263 -0.071 20 0 DBADRM O=C([O-])C1(n2cc(CN3CCS(=O)(=O)CC3)nn2)CC1 ZINC001254095167 834586461 /nfs/dbraw/zinc/58/64/61/834586461.db2.gz JRKDXGNMMVPHGO-UHFFFAOYSA-N -1 0 300.340 -0.918 20 0 DBADRM COC(=O)c1cc(C(=O)NCCCC[P@@](=O)([O-])O)[nH]n1 ZINC001194297586 834587961 /nfs/dbraw/zinc/58/79/61/834587961.db2.gz FKSQOIGWWZWTDJ-UHFFFAOYSA-N -1 0 305.227 -0.116 20 0 DBADRM COc1ccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cc1OC ZINC001254159388 834589904 /nfs/dbraw/zinc/58/99/04/834589904.db2.gz DTTVSHJDUBCIDQ-UHFFFAOYSA-N -1 0 321.293 -0.218 20 0 DBADRM C[C@H](CN(C)C(=O)CCCN1C(=O)CNC1=O)c1nnn[n-]1 ZINC001254760991 834602969 /nfs/dbraw/zinc/60/29/69/834602969.db2.gz IOOKSMVDOXEIAU-MRVPVSSYSA-N -1 0 309.330 -0.906 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001194492878 834603834 /nfs/dbraw/zinc/60/38/34/834603834.db2.gz APWMSQRMHLILRR-VIFPVBQESA-N -1 0 310.358 -0.801 20 0 DBADRM COCCn1cccc(C(=O)NCC(=O)CCC(=O)[O-])c1=O ZINC001194504393 834606487 /nfs/dbraw/zinc/60/64/87/834606487.db2.gz OKJZJYLIBZFPNR-UHFFFAOYSA-N -1 0 310.306 -0.342 20 0 DBADRM COCCn1cccc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)c1=O ZINC001194500422 834606707 /nfs/dbraw/zinc/60/67/07/834606707.db2.gz TUJBQBUVQTXAPP-SNVBAGLBSA-N -1 0 311.319 -0.466 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)C(=O)[N-]OC2CCCCC2)cn1 ZINC001255289377 834607900 /nfs/dbraw/zinc/60/79/00/834607900.db2.gz XYLWLNYDMZILHF-UHFFFAOYSA-N -1 0 323.353 -0.052 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC001255530966 834612585 /nfs/dbraw/zinc/61/25/85/834612585.db2.gz JSVFNSILYOHSEC-UHFFFAOYSA-N -1 0 317.323 -0.515 20 0 DBADRM COCCn1cncc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001194653139 834616248 /nfs/dbraw/zinc/61/62/48/834616248.db2.gz IRRSWELRQIDMTB-VIFPVBQESA-N -1 0 313.310 -0.334 20 0 DBADRM NC(=O)c1nc(C[N-]S(=O)(=O)c2ccc(F)cc2F)no1 ZINC001256094903 834620019 /nfs/dbraw/zinc/62/00/19/834620019.db2.gz YJDMIGVYYPGSSX-UHFFFAOYSA-N -1 0 318.261 -0.075 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1cc(Cl)ccc1-n1cnnn1 ZINC001194771142 834631698 /nfs/dbraw/zinc/63/16/98/834631698.db2.gz WAILTQYIXWBMRN-MRVPVSSYSA-N -1 0 308.685 -0.525 20 0 DBADRM NC(=O)C1CN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001195216796 834662971 /nfs/dbraw/zinc/66/29/71/834662971.db2.gz BDVKWVWLTBSEMR-UHFFFAOYSA-N -1 0 320.273 -0.231 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)NC1(CCO)COC1 ZINC001258458207 834683961 /nfs/dbraw/zinc/68/39/61/834683961.db2.gz OMCISQQNJDEKBR-UHFFFAOYSA-N -1 0 309.775 -0.188 20 0 DBADRM CCC(CO)(CO)NS(=O)(=O)c1c(C)nn(C)c1Cl ZINC001258457966 834683980 /nfs/dbraw/zinc/68/39/80/834683980.db2.gz LAIRDDKXAOGKFF-UHFFFAOYSA-N -1 0 311.791 -0.206 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCC(=O)NC1 ZINC001258452730 834684187 /nfs/dbraw/zinc/68/41/87/834684187.db2.gz RLLUMSHLAHSAHB-SSDOTTSWSA-N -1 0 306.775 -0.061 20 0 DBADRM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N[C@@H]1CO[N-]C1=O)C(=O)C2 ZINC001258975644 834688948 /nfs/dbraw/zinc/68/89/48/834688948.db2.gz RRZOIJOGSBFUDU-RWEMILLDSA-N -1 0 316.379 -0.269 20 0 DBADRM CN(CCO)c1cc([N-]S(=O)(=O)c2cn(C)cn2)ncn1 ZINC001258993188 834690352 /nfs/dbraw/zinc/69/03/52/834690352.db2.gz MYEYMMFCSVSSQI-UHFFFAOYSA-N -1 0 312.355 -0.561 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cccc2c1NC(=O)CO2 ZINC001259025613 834695473 /nfs/dbraw/zinc/69/54/73/834695473.db2.gz ZHPLIIGULHGKLO-UHFFFAOYSA-N -1 0 300.292 -0.068 20 0 DBADRM CCOC(=O)[C@H]([N-]S(=O)(=O)CC(=O)OC)C1CCOCC1 ZINC001259031254 834697785 /nfs/dbraw/zinc/69/77/85/834697785.db2.gz HNPBQNYFDBKPGW-LLVKDONJSA-N -1 0 323.367 -0.563 20 0 DBADRM COC(=O)CS(=O)(=O)[N-][C@](C)(C(=O)OC)C(F)(F)F ZINC001259033830 834698750 /nfs/dbraw/zinc/69/87/50/834698750.db2.gz XBBDVCMXVWALNC-SSDOTTSWSA-N -1 0 307.246 -0.427 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cnnn1-c1ccccc1 ZINC001195565767 834700264 /nfs/dbraw/zinc/70/02/64/834700264.db2.gz LCEXEDBAAQWSQF-UHFFFAOYSA-N -1 0 311.323 -0.777 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001195568704 834701458 /nfs/dbraw/zinc/70/14/58/834701458.db2.gz WUDJXIBCMPWMGQ-UHFFFAOYSA-N -1 0 302.308 -0.586 20 0 DBADRM O=S(=O)([O-])CNS(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259374169 834703281 /nfs/dbraw/zinc/70/32/81/834703281.db2.gz DWSVGAROWSHEMK-UHFFFAOYSA-N -1 0 317.348 -0.004 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1F)C(N)=O ZINC001259461836 834704591 /nfs/dbraw/zinc/70/45/91/834704591.db2.gz FFTAYEQRGHLDLL-ZETCQYMHSA-N -1 0 323.733 -0.513 20 0 DBADRM O=S(=O)([N-][C@@H]1COCCC12OCCO2)C1CCOCC1 ZINC001259918219 834713613 /nfs/dbraw/zinc/71/36/13/834713613.db2.gz AXMFIZDIGUXGDJ-LLVKDONJSA-N -1 0 307.368 -0.383 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]c2nccnc2C(N)=O)cn1 ZINC001195684349 834715507 /nfs/dbraw/zinc/71/55/07/834715507.db2.gz GFDZLBYRDZTJEJ-UHFFFAOYSA-N -1 0 309.307 -0.220 20 0 DBADRM Cn1ccc(S(=O)(=O)[N-]c2nccnc2N2CCOCC2)n1 ZINC001259937632 834715596 /nfs/dbraw/zinc/71/55/96/834715596.db2.gz GESJNXWWICHQSE-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM CN(CCO)c1cc([N-]S(=O)(=O)c2ccn(C)n2)ncn1 ZINC001259938961 834715686 /nfs/dbraw/zinc/71/56/86/834715686.db2.gz ZERHUJNKNBVWHU-UHFFFAOYSA-N -1 0 312.355 -0.561 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccn(C)n1 ZINC001259946170 834717295 /nfs/dbraw/zinc/71/72/95/834717295.db2.gz GSFFLMBVPBMIID-ZETCQYMHSA-N -1 0 305.312 -0.895 20 0 DBADRM Cn1nnnc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC001260153082 834727681 /nfs/dbraw/zinc/72/76/81/834727681.db2.gz RWJQJDUJICDNSN-UHFFFAOYSA-N -1 0 308.323 -0.470 20 0 DBADRM NC(=O)C1([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)CC1 ZINC001260176801 834728866 /nfs/dbraw/zinc/72/88/66/834728866.db2.gz XBYRSXANZPIBAY-UHFFFAOYSA-N -1 0 316.730 -0.926 20 0 DBADRM Cn1cc([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)nn1 ZINC001260167456 834728982 /nfs/dbraw/zinc/72/89/82/834728982.db2.gz BWLKQPCQHOGVKP-UHFFFAOYSA-N -1 0 314.718 -0.293 20 0 DBADRM O=S(=O)([N-]C[C@H](O)C1CC1)c1nc2nc(Cl)ccn2n1 ZINC001260180986 834730212 /nfs/dbraw/zinc/73/02/12/834730212.db2.gz FSSTVSCIJWULQM-ZETCQYMHSA-N -1 0 317.758 -0.173 20 0 DBADRM O=S(=O)([N-][C@H]1COC[C@@H]1F)c1nc2nc(Cl)ccn2n1 ZINC001260181911 834730139 /nfs/dbraw/zinc/73/01/39/834730139.db2.gz POSMVWJGAOJNBR-WDSKDSINSA-N -1 0 321.721 -0.207 20 0 DBADRM C[C@H](O)CC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260181009 834730772 /nfs/dbraw/zinc/73/07/72/834730772.db2.gz HJERSZCWZXDHAL-LURJTMIESA-N -1 0 305.747 -0.173 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)NC[C@H]2CNC(=O)O2)c1 ZINC001260195029 834731552 /nfs/dbraw/zinc/73/15/52/834731552.db2.gz KQDFWJQTLORTJL-MRVPVSSYSA-N -1 0 300.292 -0.229 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC(=O)NC2=O)cc1 ZINC001260231260 834731577 /nfs/dbraw/zinc/73/15/77/834731577.db2.gz HVJPDVSZQOYOAI-QMMMGPOBSA-N -1 0 312.303 -0.674 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC(F)(CO)C2)ccc1O ZINC001260394259 834732378 /nfs/dbraw/zinc/73/23/78/834732378.db2.gz XICQYHFTXHRVLH-UHFFFAOYSA-N -1 0 305.283 -0.205 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001195926513 834735278 /nfs/dbraw/zinc/73/52/78/834735278.db2.gz PXMNVFOQOCEZKS-JTQLQIEISA-N -1 0 324.385 -0.541 20 0 DBADRM COC(=O)c1cncc([N-]S(=O)(=O)CS(C)(=O)=O)n1 ZINC001260583522 834736702 /nfs/dbraw/zinc/73/67/02/834736702.db2.gz FPJRSDGGXVKDHI-UHFFFAOYSA-N -1 0 309.325 -0.993 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)Nc1cc(=O)[n-]c(Cl)n1 ZINC001260584503 834737605 /nfs/dbraw/zinc/73/76/05/834737605.db2.gz JPRPRBIKKWWLMA-UHFFFAOYSA-N -1 0 301.733 -0.421 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1ccnc(C(=O)OCC)c1 ZINC001195942509 834738604 /nfs/dbraw/zinc/73/86/04/834738604.db2.gz OIIGMMUUEMJTGS-UHFFFAOYSA-N -1 0 316.335 -0.015 20 0 DBADRM COC(=O)c1ccc(O)c([N-]S(=O)(=O)CS(C)(=O)=O)c1 ZINC001260590526 834739206 /nfs/dbraw/zinc/73/92/06/834739206.db2.gz HCHRPLPSYDVABF-UHFFFAOYSA-N -1 0 323.348 -0.077 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1ccc(F)cc1C(N)=O ZINC001260591786 834740303 /nfs/dbraw/zinc/74/03/03/834740303.db2.gz MBNJOLFFFZFNNU-UHFFFAOYSA-N -1 0 310.328 -0.332 20 0 DBADRM CNC(=O)Cc1cccc(NS(=O)(=O)CS(C)(=O)=O)c1 ZINC001260591733 834740424 /nfs/dbraw/zinc/74/04/24/834740424.db2.gz JLJUIXWRDWVCIL-UHFFFAOYSA-N -1 0 320.392 -0.281 20 0 DBADRM Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260592893 834740466 /nfs/dbraw/zinc/74/04/66/834740466.db2.gz RLYAWEJFVWATJQ-UHFFFAOYSA-N -1 0 306.365 -0.162 20 0 DBADRM COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260591589 834740623 /nfs/dbraw/zinc/74/06/23/834740623.db2.gz AAWHFICHJYLZAB-UHFFFAOYSA-N -1 0 322.364 -0.462 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)Nc1ccc2[nH]c(=O)cnc2c1 ZINC001260593325 834741009 /nfs/dbraw/zinc/74/10/09/834741009.db2.gz IPDGWLYRGPVRRD-UHFFFAOYSA-N -1 0 317.348 -0.333 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1ccc(C(N)=O)c(O)c1 ZINC001260593476 834741485 /nfs/dbraw/zinc/74/14/85/834741485.db2.gz ONGXUSFROBVDQI-UHFFFAOYSA-N -1 0 308.337 -0.765 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]C1(c2ccccc2F)COC1 ZINC001260595510 834742711 /nfs/dbraw/zinc/74/27/11/834742711.db2.gz ZOISGOFGDSZUHG-UHFFFAOYSA-N -1 0 323.367 -0.027 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CS(C)(=O)=O)C(F)(F)F ZINC001260595872 834742957 /nfs/dbraw/zinc/74/29/57/834742957.db2.gz OIAZMZLAXCUJFG-SCSAIBSYSA-N -1 0 313.275 -0.988 20 0 DBADRM CCOC(=O)CS(=O)(=O)NCC[N-]C(=O)C(F)(F)F ZINC001195982854 834743423 /nfs/dbraw/zinc/74/34/23/834743423.db2.gz AFDYAOZWUIBHSC-UHFFFAOYSA-N -1 0 306.262 -0.853 20 0 DBADRM NC(=O)c1nc(CNS(=O)(=O)Cc2ccccc2F)no1 ZINC001260630140 834744461 /nfs/dbraw/zinc/74/44/61/834744461.db2.gz VJHMREKKVHAHIF-UHFFFAOYSA-N -1 0 314.298 -0.073 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cc(=O)n(C)c(SC)n1 ZINC001195993922 834744875 /nfs/dbraw/zinc/74/48/75/834744875.db2.gz ZDHFABCQQMAHTG-UHFFFAOYSA-N -1 0 321.380 -0.193 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1[nH]c(=O)nc2nc[nH]c21 ZINC001195994736 834745405 /nfs/dbraw/zinc/74/54/05/834745405.db2.gz NUAWNIDDHYJPFN-UHFFFAOYSA-N -1 0 301.284 -0.637 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-][C@@H](CO)C(=O)OC(C)(C)C ZINC001195994251 834745443 /nfs/dbraw/zinc/74/54/43/834745443.db2.gz FXDWGVTYOCEOOI-QMMMGPOBSA-N -1 0 311.356 -0.829 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@@H]2COC(=O)C2)s1 ZINC001260710005 834745544 /nfs/dbraw/zinc/74/55/44/834745544.db2.gz VJDGFHFPHJTZFT-LURJTMIESA-N -1 0 305.337 -0.305 20 0 DBADRM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3nnnn3C)ccc21 ZINC001260791520 834747108 /nfs/dbraw/zinc/74/71/08/834747108.db2.gz RNOCSMPZSOUABH-UHFFFAOYSA-N -1 0 322.350 -0.080 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCS(=O)(=O)CC1CC1 ZINC001261164601 834762868 /nfs/dbraw/zinc/76/28/68/834762868.db2.gz WXDZWUOPGJNAPL-UHFFFAOYSA-N -1 0 324.424 -0.662 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1(CF)CCC1 ZINC001196306417 834777318 /nfs/dbraw/zinc/77/73/18/834777318.db2.gz AWBGYHCOSRTPQX-RKDXNWHRSA-N -1 0 313.333 -0.689 20 0 DBADRM CS(=O)(=O)c1cccc(C(=O)NCC(=O)CCC(=O)[O-])n1 ZINC001196418658 834785960 /nfs/dbraw/zinc/78/59/60/834785960.db2.gz GODOPHNAGAYGSF-UHFFFAOYSA-N -1 0 314.319 -0.351 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2CCC(C)(C(=O)[O-])CC2)C1=O ZINC001261491807 834794610 /nfs/dbraw/zinc/79/46/10/834794610.db2.gz GOUWHOHLGNZVLK-UHFFFAOYSA-N -1 0 311.294 -0.880 20 0 DBADRM O=C(COCC(F)F)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001196628055 834795438 /nfs/dbraw/zinc/79/54/38/834795438.db2.gz YXUMQDLHUDCAGJ-UHFFFAOYSA-N -1 0 319.312 -0.174 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001196753943 834804860 /nfs/dbraw/zinc/80/48/60/834804860.db2.gz PCJCEKUKKJNCCO-VIFPVBQESA-N -1 0 310.358 -0.944 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCC(N2CCOC2=O)CC1 ZINC001261632362 834821568 /nfs/dbraw/zinc/82/15/68/834821568.db2.gz YPHKRPPRQHBBOI-UHFFFAOYSA-N -1 0 313.310 -0.980 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)[C@H](C(=O)[O-])C3CC3)CC2)C1=O ZINC001261646047 834826195 /nfs/dbraw/zinc/82/61/95/834826195.db2.gz VSFHXLOMFWWFDM-SECBINFHSA-N -1 0 309.322 -0.360 20 0 DBADRM CC[C@@H](C)CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001197149039 834838097 /nfs/dbraw/zinc/83/80/97/834838097.db2.gz GBSUQIGKBREGTL-GMTAPVOTSA-N -1 0 311.386 -0.002 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2ccc[nH]c2=O)C1 ZINC001261818678 834854060 /nfs/dbraw/zinc/85/40/60/834854060.db2.gz FEPWOSCQUOJFDO-AWEZNQCLSA-N -1 0 307.306 -0.273 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2nccn2C)CC[C@H]1C(=O)[O-] ZINC001261837647 834862400 /nfs/dbraw/zinc/86/24/00/834862400.db2.gz JTQBNBGRGAJBKN-GHMZBOCLSA-N -1 0 322.365 -0.052 20 0 DBADRM O=C(/C=C\COC1CCOCC1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC001261880721 834870361 /nfs/dbraw/zinc/87/03/61/834870361.db2.gz MLRJVNOHTADSSW-UDSFMNFJSA-N -1 0 319.379 -0.027 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)Cc1cccnc1)C(=O)OC ZINC001197471743 834871005 /nfs/dbraw/zinc/87/10/05/834871005.db2.gz HVBZJYUCVHANOS-JTQLQIEISA-N -1 0 316.335 -0.394 20 0 DBADRM O=C(NCCCc1c[nH][nH]c1=O)c1cnc(=O)n(CC2CC2)c1 ZINC001197774262 834903371 /nfs/dbraw/zinc/90/33/71/834903371.db2.gz GWDDWDBKTKDMNQ-LLVKDONJSA-N -1 0 317.349 -0.105 20 0 DBADRM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccccn1)[C@@H](C)O ZINC001197847107 834909803 /nfs/dbraw/zinc/90/98/03/834909803.db2.gz OBKOZKFBBNXCTK-MWLCHTKSSA-N -1 0 302.352 -0.187 20 0 DBADRM C/C(=C/C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1)CN1CCOCC1 ZINC001262178070 834914695 /nfs/dbraw/zinc/91/46/95/834914695.db2.gz PLKMUWHNJJIGFN-CUOXCHRPSA-N -1 0 312.366 -0.035 20 0 DBADRM CCS[C@H]1CCC[C@@H](NC(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001262281181 834927021 /nfs/dbraw/zinc/92/70/21/834927021.db2.gz PBJTZSMOYBKULI-ZJUUUORDSA-N -1 0 317.411 -0.039 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)[N-]OCCSC)C1 ZINC001262301726 834930778 /nfs/dbraw/zinc/93/07/78/834930778.db2.gz WIJVQEBTYJCSOU-BDAKNGLRSA-N -1 0 304.368 -0.145 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)CCSC1 ZINC001262307207 834931833 /nfs/dbraw/zinc/93/18/33/834931833.db2.gz GCURNIITNHVRIL-GWCFXTLKSA-N -1 0 318.395 -0.291 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H]1COC(C)(C)C ZINC001262315469 834933649 /nfs/dbraw/zinc/93/36/49/834933649.db2.gz MAVGWCIVPMXVBK-JTQLQIEISA-N -1 0 315.370 -0.414 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1F ZINC001262671464 834963883 /nfs/dbraw/zinc/96/38/83/834963883.db2.gz FQIGVAIKRXWPCO-UHFFFAOYSA-N -1 0 313.241 -0.916 20 0 DBADRM NC(=O)N1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])CC1 ZINC001198761216 834966396 /nfs/dbraw/zinc/96/63/96/834966396.db2.gz PEDOGSCSAYMYOB-UHFFFAOYSA-N -1 0 313.335 -0.230 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)NC1CN(C2COC2)C1 ZINC001198807295 834968875 /nfs/dbraw/zinc/96/88/75/834968875.db2.gz GODCGIYJLHVKTE-UHFFFAOYSA-N -1 0 312.347 -0.254 20 0 DBADRM CN1CCOC[C@@H]1CNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198802349 834969619 /nfs/dbraw/zinc/96/96/19/834969619.db2.gz YGZUJWHQXGETPF-JTQLQIEISA-N -1 0 314.363 -0.006 20 0 DBADRM CO[C@@H]1CC[C@H]1N(C)C(=O)NCCOCCOCC(=O)[O-] ZINC001263071691 834970803 /nfs/dbraw/zinc/97/08/03/834970803.db2.gz IOJZBOQENBUOCI-GHMZBOCLSA-N -1 0 304.343 -0.077 20 0 DBADRM COCCOc1ccnc(C(=O)NC2C(=O)N=CN=C2[O-])n1 ZINC001199189671 834996933 /nfs/dbraw/zinc/99/69/33/834996933.db2.gz NRYRSAFNTYCGMP-UHFFFAOYSA-N -1 0 307.266 -0.045 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1ccnc(OCC(F)(F)F)n1 ZINC001199190949 834997226 /nfs/dbraw/zinc/99/72/26/834997226.db2.gz YCTOAMOTTZHYDL-UHFFFAOYSA-N -1 0 315.229 -0.007 20 0 DBADRM COCCOc1ncc(C(=O)NC2C(=O)N=CN=C2[O-])cn1 ZINC001199249764 835001975 /nfs/dbraw/zinc/00/19/75/835001975.db2.gz CEMJPIRNKKPBLF-UHFFFAOYSA-N -1 0 307.266 -0.045 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)c1cnc(-c2cnccn2)nc1 ZINC001199294319 835008097 /nfs/dbraw/zinc/00/80/97/835008097.db2.gz SDITWJSTBFWGAK-NSHDSACASA-N -1 0 316.302 -0.028 20 0 DBADRM COc1nccc(C(=O)Nc2[nH]c(=O)nc3[nH]c(=O)[nH]c32)n1 ZINC001199324199 835011881 /nfs/dbraw/zinc/01/18/81/835011881.db2.gz DAZQZWIILMQEBP-UHFFFAOYSA-N -1 0 303.238 -0.233 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1cc(OC2CCOCC2)ccn1 ZINC001199541344 835033012 /nfs/dbraw/zinc/03/30/12/835033012.db2.gz XAXRUINBUHUACO-UHFFFAOYSA-N -1 0 304.310 -0.163 20 0 DBADRM CN(CCCNC(=O)CCc1c[nH]cn1)Cc1n[nH]c(=O)[n-]1 ZINC001264993154 835065641 /nfs/dbraw/zinc/06/56/41/835065641.db2.gz BNGXPHQKABODCR-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM O=C1N=CN=C([O-])C1NC(=S)NCCCN1CCOCC1 ZINC001199939510 835072072 /nfs/dbraw/zinc/07/20/72/835072072.db2.gz RFXMBYRTYNVSHJ-UHFFFAOYSA-N -1 0 313.383 -0.104 20 0 DBADRM CN(CCCNC(=O)CCc1cncnc1)Cc1n[nH]c(=O)[n-]1 ZINC001265012739 835072787 /nfs/dbraw/zinc/07/27/87/835072787.db2.gz OZNOZCWNTSVOPD-UHFFFAOYSA-N -1 0 319.369 -0.129 20 0 DBADRM CN(CCCNC(=O)CCc1cncn1C)Cc1n[nH]c(=O)[n-]1 ZINC001265063174 835083560 /nfs/dbraw/zinc/08/35/60/835083560.db2.gz BPIPLWKPTBWFIC-UHFFFAOYSA-N -1 0 321.385 -0.185 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]c1nnccc1C(=O)OC ZINC001201905075 835217404 /nfs/dbraw/zinc/21/74/04/835217404.db2.gz YLQFRWGIIRHBMW-UHFFFAOYSA-N -1 0 317.323 -0.042 20 0 DBADRM COC(=O)CCCS(=O)(=O)NCCCc1c[nH][nH]c1=O ZINC001201916778 835218874 /nfs/dbraw/zinc/21/88/74/835218874.db2.gz ITJNWVCPNYEVNL-SECBINFHSA-N -1 0 305.356 -0.629 20 0 DBADRM NC(=O)CCCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001266353274 835290911 /nfs/dbraw/zinc/29/09/11/835290911.db2.gz RZSWTVRAVSGFID-SECBINFHSA-N -1 0 310.358 -0.754 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1cccnc1OCCOC ZINC001205246384 835338341 /nfs/dbraw/zinc/33/83/41/835338341.db2.gz YCMVHQPIYUTLNT-UHFFFAOYSA-N -1 0 321.341 -0.143 20 0 DBADRM CCCN(CCNC(=O)[C@H]1CCN(C)C1=O)Cc1n[nH]c(=O)[n-]1 ZINC001266568809 835339756 /nfs/dbraw/zinc/33/97/56/835339756.db2.gz UFJLLNYFOBGGOU-SNVBAGLBSA-N -1 0 324.385 -0.683 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)[C@H]1CCCNC1=O ZINC001266597086 835343300 /nfs/dbraw/zinc/34/33/00/835343300.db2.gz VBDIKMKCHGADLX-JTQLQIEISA-N -1 0 322.369 -0.883 20 0 DBADRM COC[C@H](C)C(=O)N(C)CC[NH2+]Cc1cc(=O)n2[n-]ccc2n1 ZINC001266656717 835354475 /nfs/dbraw/zinc/35/44/75/835354475.db2.gz BAVZAAPSDHNBAM-NSHDSACASA-N -1 0 321.381 -0.147 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OC[C@H]1CCCO1 ZINC001205985232 835372377 /nfs/dbraw/zinc/37/23/77/835372377.db2.gz MXFPBKNRDFFSNX-VXGBXAGGSA-N -1 0 309.384 -0.229 20 0 DBADRM CNC(=O)C1(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)CC1 ZINC001267278961 835475125 /nfs/dbraw/zinc/47/51/25/835475125.db2.gz URNPFUUUHDQKHP-SECBINFHSA-N -1 0 322.369 -0.883 20 0 DBADRM COCc1noc(CNCCN(C)C(=O)c2n[nH]c(C)c2[O-])n1 ZINC001267363414 835493752 /nfs/dbraw/zinc/49/37/52/835493752.db2.gz DXTAJFJGDIZZSR-UHFFFAOYSA-N -1 0 324.341 -0.185 20 0 DBADRM Cc1cc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)ncn1 ZINC001268529740 835718049 /nfs/dbraw/zinc/71/80/49/835718049.db2.gz UWBLAADMMWGJNU-NSCUHMNNSA-N -1 0 303.326 -0.315 20 0 DBADRM COc1ccc(CNC(=O)NCCn2cc(C(=O)[O-])nn2)cn1 ZINC000321657730 970794182 /nfs/dbraw/zinc/79/41/82/970794182.db2.gz WHNUYVKEKNOOJJ-UHFFFAOYSA-N -1 0 320.309 -0.121 20 0 DBADRM COCCn1nc(C(=O)Nc2cnn(CC(=O)[O-])c2)ccc1=O ZINC000321689381 970798261 /nfs/dbraw/zinc/79/82/61/970798261.db2.gz YAOMGGOFOUUIQY-UHFFFAOYSA-N -1 0 321.293 -0.577 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1CC(=O)NCc1ccc(F)cc1 ZINC000321956585 970830056 /nfs/dbraw/zinc/83/00/56/970830056.db2.gz FAMVUDTVLYXMGI-LBPRGKRZSA-N -1 0 323.324 -0.283 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000321979129 970832357 /nfs/dbraw/zinc/83/23/57/970832357.db2.gz JECAPICWFYADOY-LLVKDONJSA-N -1 0 319.317 -0.265 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000322242434 970862997 /nfs/dbraw/zinc/86/29/97/970862997.db2.gz OMMGYYKKYUJQFB-UHFFFAOYSA-N -1 0 317.301 -0.108 20 0 DBADRM Cn1nccc1CCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001601035684 970919142 /nfs/dbraw/zinc/91/91/42/970919142.db2.gz NLLLNMPENMPBGE-UHFFFAOYSA-N -1 0 308.338 -0.598 20 0 DBADRM O=C([O-])/C=C\c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1 ZINC000323121417 970968446 /nfs/dbraw/zinc/96/84/46/970968446.db2.gz AUKHGWYGUUTUPJ-BCIKPAMSSA-N -1 0 313.331 -0.178 20 0 DBADRM O=C([O-])/C=C/c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1 ZINC000323121419 970968559 /nfs/dbraw/zinc/96/85/59/970968559.db2.gz AUKHGWYGUUTUPJ-JKNNBXRXSA-N -1 0 313.331 -0.178 20 0 DBADRM Cc1csc(C(=O)[O-])c1S(=O)(=O)N[C@@H]1COC[C@@H]1O ZINC000323120593 970969186 /nfs/dbraw/zinc/96/91/86/970969186.db2.gz AOHWYKZKQJDQAS-RQJHMYQMSA-N -1 0 307.349 -0.207 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1COC[C@H]1O ZINC000323159081 970971947 /nfs/dbraw/zinc/97/19/47/970971947.db2.gz HRUFBESLSBMQIH-RKDXNWHRSA-N -1 0 317.319 -0.569 20 0 DBADRM CC(=O)N1C[C@H]2CCN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001573452246 945847259 /nfs/dbraw/zinc/84/72/59/945847259.db2.gz CGBJTVVVRVFAPJ-MNOVXSKESA-N -1 0 314.353 -0.039 20 0 DBADRM CC(=O)NC1(CO)CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001573493730 946298392 /nfs/dbraw/zinc/29/83/92/946298392.db2.gz JFBXBTSKPJLESR-UHFFFAOYSA-N -1 0 318.341 -0.876 20 0 DBADRM CC(C)(C)C[C@H](CO)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824079297 946577273 /nfs/dbraw/zinc/57/72/73/946577273.db2.gz OFDDYSYMWFWYBJ-MRVPVSSYSA-N -1 0 308.346 -0.629 20 0 DBADRM C[C@H](C(=O)N(C)[C@H](C)C(C)(C)O)n1cnc(-c2nnn[n-]2)n1 ZINC001573586982 947296521 /nfs/dbraw/zinc/29/65/21/947296521.db2.gz VHCINOOFUIZBBX-HTQZYQBOSA-N -1 0 308.346 -0.363 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H](CCCO)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573615787 947613820 /nfs/dbraw/zinc/61/38/20/947613820.db2.gz KNLDFCQBIDJMMI-NXEZZACHSA-N -1 0 320.357 -0.360 20 0 DBADRM C[C@H](C(=O)NC(C)(C)c1ncon1)n1cnc(-c2nnn[n-]2)n1 ZINC001573654852 947971755 /nfs/dbraw/zinc/97/17/55/947971755.db2.gz UDZZFZWCHRCTAL-ZCFIWIBFSA-N -1 0 318.301 -0.546 20 0 DBADRM C[C@H](C(=O)NC1(CF)CCOCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001573658610 948010355 /nfs/dbraw/zinc/01/03/55/948010355.db2.gz SOPDGZRXBUNCEL-MRVPVSSYSA-N -1 0 324.320 -0.346 20 0 DBADRM C[C@H](C(=O)N[C@H]1CC12CCOCC2)n1cnc(-c2nnn[n-]2)n1 ZINC001573667459 948098781 /nfs/dbraw/zinc/09/87/81/948098781.db2.gz ZTYYYYBBCRXLTL-BDAKNGLRSA-N -1 0 318.341 -0.296 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000328321441 971463111 /nfs/dbraw/zinc/46/31/11/971463111.db2.gz CNQVBLYGCKCMRV-ATEUNZGCSA-N -1 0 309.322 -0.312 20 0 DBADRM C[C@H](C(=O)NCC[C@H](O)C(F)F)n1cnc(-c2nnn[n-]2)n1 ZINC001573705245 948394911 /nfs/dbraw/zinc/39/49/11/948394911.db2.gz DPTRZNVBBFXPFQ-RITPCOANSA-N -1 0 316.272 -0.849 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1c(Cl)cnn1C)C(=O)[O-] ZINC000328483788 971480302 /nfs/dbraw/zinc/48/03/02/971480302.db2.gz LKBYIQYWQBVHLK-SECBINFHSA-N -1 0 311.747 -0.159 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC001570918032 948567103 /nfs/dbraw/zinc/56/71/03/948567103.db2.gz JKKVTTBXQWOCAK-UHFFFAOYSA-N -1 0 316.281 -0.814 20 0 DBADRM CCc1nccn1CCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001570918171 948569840 /nfs/dbraw/zinc/56/98/40/948569840.db2.gz LUOQXZAKWOCYMN-UHFFFAOYSA-N -1 0 316.329 -0.967 20 0 DBADRM CC[C@](COC)(NC(=O)[C@@H]1CC(=O)N(CCOC)C1)C(=O)[O-] ZINC000328525531 971490686 /nfs/dbraw/zinc/49/06/86/971490686.db2.gz JBEYOYQLUZNDCU-QMTHXVAHSA-N -1 0 316.354 -0.523 20 0 DBADRM CCN1C[C@@H](C(=O)NCc2ccnc(-c3nn[nH]n3)c2)CC1=O ZINC001570919230 948585871 /nfs/dbraw/zinc/58/58/71/948585871.db2.gz PTAOTTKRCUQQPW-JTQLQIEISA-N -1 0 315.337 -0.254 20 0 DBADRM C[C@H](C(=O)NN1C[C@@H]2CCC[C@H]2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573731878 948597664 /nfs/dbraw/zinc/59/76/64/948597664.db2.gz ZGAYYROMFWTMBF-UTLUCORTSA-N -1 0 317.357 -0.218 20 0 DBADRM O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N[C@@H]1CC12CC2 ZINC001570921104 948614026 /nfs/dbraw/zinc/61/40/26/948614026.db2.gz NZMBWKDCLOYJAJ-MRVPVSSYSA-N -1 0 317.309 -0.812 20 0 DBADRM CCc1nc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)c[nH]1 ZINC001570921116 948614226 /nfs/dbraw/zinc/61/42/26/948614226.db2.gz OLYQQKGXMXVVCG-UHFFFAOYSA-N -1 0 317.313 -0.436 20 0 DBADRM Cc1conc1CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001570922012 948632802 /nfs/dbraw/zinc/63/28/02/948632802.db2.gz SPEDEKNMPOTHRL-UHFFFAOYSA-N -1 0 318.301 -0.746 20 0 DBADRM O=C(N[C@@H](CO)[C@H]1CCOC1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001570922050 948633489 /nfs/dbraw/zinc/63/34/89/948633489.db2.gz UFOGHBKTRQNFPF-ONGXEEELSA-N -1 0 319.321 -0.301 20 0 DBADRM COCn1cc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)cn1 ZINC001570922240 948636174 /nfs/dbraw/zinc/63/61/74/948636174.db2.gz XHWKWCJXJXKURA-SSDOTTSWSA-N -1 0 318.301 -0.542 20 0 DBADRM CC[C@H](C)[C@](C)(O)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001570922640 948645900 /nfs/dbraw/zinc/64/59/00/948645900.db2.gz LBTTTYXQLYERNS-WPPNPWJKSA-N -1 0 323.357 -0.125 20 0 DBADRM CC[C@@H]1[C@@H](CO)CCN1C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001570922996 948652668 /nfs/dbraw/zinc/65/26/68/948652668.db2.gz RLYZKFHLMVVOER-IVZWLZJFSA-N -1 0 320.357 -0.361 20 0 DBADRM Cn1c(=O)[nH]c(NCC2CCC(O)CC2)c(-c2nnn[n-]2)c1=O ZINC001570923055 948653325 /nfs/dbraw/zinc/65/33/25/948653325.db2.gz SPBBJZVMTWTGGW-UHFFFAOYSA-N -1 0 321.341 -0.371 20 0 DBADRM C[C@H](C(=O)N[C@H](CO)C(F)(F)F)n1cnc(-c2nnn[n-]2)n1 ZINC001573742329 948661743 /nfs/dbraw/zinc/66/17/43/948661743.db2.gz KWQUCUBMFJBGPT-RFZPGFLSSA-N -1 0 320.235 -0.941 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001589555203 948784803 /nfs/dbraw/zinc/78/48/03/948784803.db2.gz LIAHHFXMMAWQKR-QPUJVOFHSA-N -1 0 306.384 -0.069 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(=O)OC ZINC001589557506 948797456 /nfs/dbraw/zinc/79/74/56/948797456.db2.gz HWWWXTCZRHJZGZ-PELKAZGASA-N -1 0 302.283 -0.700 20 0 DBADRM CC[C@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccncc1 ZINC001589561728 948821175 /nfs/dbraw/zinc/82/11/75/948821175.db2.gz DZHUIVYZLSDFNV-RYUDHWBXSA-N -1 0 321.333 -0.039 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)CNS(=O)(=O)c1ccccc1 ZINC000036981281 948824562 /nfs/dbraw/zinc/82/45/62/948824562.db2.gz HUUUPSFSCZODCT-SECBINFHSA-N -1 0 300.336 -0.056 20 0 DBADRM CC[C@H](NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)[C@H](C)O ZINC001589564613 948845207 /nfs/dbraw/zinc/84/52/07/948845207.db2.gz NFGFXJFQSDGVNB-DCAQKATOSA-N -1 0 315.370 -0.089 20 0 DBADRM CC[C@](NC(=O)c1cccn(CC(=O)[O-])c1=O)(C(N)=O)C(C)C ZINC001589568676 948891701 /nfs/dbraw/zinc/89/17/01/948891701.db2.gz ONCRKWGWVIOZEL-OAHLLOKOSA-N -1 0 323.349 -0.047 20 0 DBADRM CC[C@@](O)(CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C(F)(F)F ZINC001589573138 948921369 /nfs/dbraw/zinc/92/13/69/948921369.db2.gz JXJHGFRRPSYPCK-VXNVDRBHSA-N -1 0 319.301 -0.127 20 0 DBADRM CC[C@](O)(CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C(F)(F)F ZINC001589573129 948921609 /nfs/dbraw/zinc/92/16/09/948921609.db2.gz JXJHGFRRPSYPCK-APPZFPTMSA-N -1 0 319.301 -0.127 20 0 DBADRM CCC(O)(CC)CN(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001589573876 948926616 /nfs/dbraw/zinc/92/66/16/948926616.db2.gz ROFNSFYYHVIJON-JTQLQIEISA-N -1 0 316.354 -0.692 20 0 DBADRM CC[C@@H](OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC001589576388 948956005 /nfs/dbraw/zinc/95/60/05/948956005.db2.gz DRGKXXFEVLAMFD-SECBINFHSA-N -1 0 321.289 -0.348 20 0 DBADRM CN(Cc1cn[nH]c1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000070230083 948980666 /nfs/dbraw/zinc/98/06/66/948980666.db2.gz ZMRZGFSEPCETTR-UHFFFAOYSA-N -1 0 302.356 -0.117 20 0 DBADRM CC[C@@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)[O-] ZINC001589578336 948987054 /nfs/dbraw/zinc/98/70/54/948987054.db2.gz YYVOJDKNLWPRDU-SECBINFHSA-N -1 0 314.319 -0.110 20 0 DBADRM CC[C@H](OC(=O)CN1CCC[C@@H](C(=O)OC)C1=O)C(=O)[O-] ZINC001589579027 948996459 /nfs/dbraw/zinc/99/64/59/948996459.db2.gz VCIFDPAATXFYNS-BDAKNGLRSA-N -1 0 301.295 -0.196 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC=C[C@@H]2CO)C1 ZINC001589584703 949031727 /nfs/dbraw/zinc/03/17/27/949031727.db2.gz UCTMVVKCAQLEMV-IAQYHMDHSA-N -1 0 310.350 -0.151 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)C1 ZINC001589584711 949031856 /nfs/dbraw/zinc/03/18/56/949031856.db2.gz UHKFOHDNTNPFMP-RLCCDNCMSA-N -1 0 324.377 -0.069 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)C1 ZINC001589584709 949032720 /nfs/dbraw/zinc/03/27/20/949032720.db2.gz UHKFOHDNTNPFMP-KNXALSJPSA-N -1 0 324.377 -0.069 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000085854068 949054666 /nfs/dbraw/zinc/05/46/66/949054666.db2.gz LAYPIDJAMZUBBH-LBPRGKRZSA-N -1 0 320.367 -0.982 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-] ZINC000090276994 949123356 /nfs/dbraw/zinc/12/33/56/949123356.db2.gz WCZUZJZGHZHAGV-LBPRGKRZSA-N -1 0 301.320 -0.265 20 0 DBADRM CC(C)C[C@H](CNC(=O)NCCCS(N)(=O)=O)C(=O)[O-] ZINC000094705804 949181930 /nfs/dbraw/zinc/18/19/30/949181930.db2.gz JKXQWFQMBSKZME-SECBINFHSA-N -1 0 309.388 -0.289 20 0 DBADRM COC(=O)[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000095017700 949192391 /nfs/dbraw/zinc/19/23/91/949192391.db2.gz MDJAPVZGDJVYNS-JTQLQIEISA-N -1 0 320.367 -0.477 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@@]23COC(=O)N2CCOC3)nc1 ZINC001595220892 949245535 /nfs/dbraw/zinc/24/55/35/949245535.db2.gz IPRCGLBKYQICRX-CQSZACIVSA-N -1 0 321.289 -0.269 20 0 DBADRM O=C([O-])COCCNC(=O)NCCC(=O)N1CCCCC1 ZINC000124819951 949258820 /nfs/dbraw/zinc/25/88/20/949258820.db2.gz IZPXVRVAQBBDIF-UHFFFAOYSA-N -1 0 301.343 -0.211 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)[C@@H]2COC[C@H]2O)C1 ZINC001589607875 949301917 /nfs/dbraw/zinc/30/19/17/949301917.db2.gz NFFAQEOZIKUNAX-CKYFFXLPSA-N -1 0 307.368 -0.347 20 0 DBADRM CC[C@@]1(O)CCCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC001589612986 949344593 /nfs/dbraw/zinc/34/45/93/949344593.db2.gz DMKORQRUONITJC-IINYFYTJSA-N -1 0 300.355 -0.071 20 0 DBADRM CCC1(CC)CNC(=O)[C@H]1NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001589615353 949360293 /nfs/dbraw/zinc/36/02/93/949360293.db2.gz KHAHCZGHTMMUAH-SNVBAGLBSA-N -1 0 309.326 -0.603 20 0 DBADRM CCC1(Cn2cc(C(=O)N3CCOC[C@H]3C(=O)[O-])nn2)COC1 ZINC001589615756 949369780 /nfs/dbraw/zinc/36/97/80/949369780.db2.gz UVVCLWSOSNVBRO-NSHDSACASA-N -1 0 324.337 -0.370 20 0 DBADRM CCC[C@@H](CCO)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589632310 949564184 /nfs/dbraw/zinc/56/41/84/949564184.db2.gz PIQNOORICVHDOE-JTQLQIEISA-N -1 0 321.395 -0.067 20 0 DBADRM O=C([O-])c1ccccc1CC(=O)N1CC2(C1)C[C@H](O)CNC2=O ZINC001595254045 949574149 /nfs/dbraw/zinc/57/41/49/949574149.db2.gz RNSGTZNRKSKXKT-NSHDSACASA-N -1 0 318.329 -0.363 20 0 DBADRM O=C([O-])c1ccccc1CC(=O)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001595254044 949574348 /nfs/dbraw/zinc/57/43/48/949574348.db2.gz RNSGTZNRKSKXKT-LLVKDONJSA-N -1 0 318.329 -0.363 20 0 DBADRM CCC[C@H](O)CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589634695 949598702 /nfs/dbraw/zinc/59/87/02/949598702.db2.gz WARZLBJYJLPRDG-QWRGUYRKSA-N -1 0 315.370 -0.088 20 0 DBADRM CCC[C@@H](OCC)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001589635066 949606355 /nfs/dbraw/zinc/60/63/55/949606355.db2.gz AOJJFBFHGOJMEY-VHSXEESVSA-N -1 0 307.368 -0.098 20 0 DBADRM CCC[C@@]1(CO)CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC001589635389 949613730 /nfs/dbraw/zinc/61/37/30/949613730.db2.gz JOAJOJRJQWMURF-CQSZACIVSA-N -1 0 300.355 -0.069 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC000379130476 971602804 /nfs/dbraw/zinc/60/28/04/971602804.db2.gz OWVDNDARPNPLEE-BDAKNGLRSA-N -1 0 307.372 -0.858 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)Nc1cccnc1C(=O)[O-] ZINC000231019964 949745478 /nfs/dbraw/zinc/74/54/78/949745478.db2.gz WRIBEPNBHAFQFA-UHFFFAOYSA-N -1 0 316.339 -0.159 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)N1CCC(C(=O)[O-])CC1 ZINC000231022794 949746812 /nfs/dbraw/zinc/74/68/12/949746812.db2.gz VGNGEJDOPZCBMU-UHFFFAOYSA-N -1 0 307.372 -0.616 20 0 DBADRM CCCCN(C)S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001589647825 949754325 /nfs/dbraw/zinc/75/43/25/949754325.db2.gz ZNHMUCWVSGUFQX-JQWIXIFHSA-N -1 0 306.384 -0.004 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCC[C@@H]3CCNC(=O)[C@@H]32)cn1 ZINC001595266798 949754517 /nfs/dbraw/zinc/75/45/17/949754517.db2.gz BTKYEXIMWOMTMD-LDYMZIIASA-N -1 0 304.306 -0.085 20 0 DBADRM O=C([O-])c1cnc(C(=O)N[C@H]2Cc3cccnc3NC2=O)cn1 ZINC001595267457 949766627 /nfs/dbraw/zinc/76/66/27/949766627.db2.gz GRYQOTRIZGRIOW-QMMMGPOBSA-N -1 0 313.273 -0.137 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001589662553 949876556 /nfs/dbraw/zinc/87/65/56/949876556.db2.gz NHVMDDHSGUEJKX-MNOVXSKESA-N -1 0 308.338 -0.261 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1ccc3n[nH]c(=O)n3c1)C2 ZINC001595278483 949953933 /nfs/dbraw/zinc/95/39/33/949953933.db2.gz SWNGNAVCXHRFEQ-XPTSAGLGSA-N -1 0 318.289 -0.392 20 0 DBADRM CCCN1C[C@@H](Cn2nnnc2N2CC[C@H](C(=O)[O-])C2)CC1=O ZINC001589673559 949957357 /nfs/dbraw/zinc/95/73/57/949957357.db2.gz LELOFUYJOKBLNX-QWRGUYRKSA-N -1 0 322.369 -0.158 20 0 DBADRM CCCN1C[C@H](C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1=O ZINC001589673587 949961162 /nfs/dbraw/zinc/96/11/62/949961162.db2.gz MLASHZGBIYMRFD-SNVBAGLBSA-N -1 0 311.338 -1.000 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 ZINC001595279406 949961317 /nfs/dbraw/zinc/96/13/17/949961317.db2.gz UBRALYRJEWOBDV-XPTSAGLGSA-N -1 0 307.306 -0.161 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cnc3n1CCOC3)C2 ZINC001595279959 949965177 /nfs/dbraw/zinc/96/51/77/949965177.db2.gz GCKVLUTYUCFIBH-XPTSAGLGSA-N -1 0 307.306 -0.414 20 0 DBADRM CCCN(CCO)C(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001589674437 949977326 /nfs/dbraw/zinc/97/73/26/949977326.db2.gz WLYJRVXKEIFHFE-AWEZNQCLSA-N -1 0 316.354 -0.833 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001595282205 949981352 /nfs/dbraw/zinc/98/13/52/949981352.db2.gz HUDQHQOSNSZOIX-ONGXEEELSA-N -1 0 323.349 -0.811 20 0 DBADRM CCCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589675135 949991105 /nfs/dbraw/zinc/99/11/05/949991105.db2.gz ODVWBYMHMHJEDK-UWVGGRQHSA-N -1 0 313.354 -0.660 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)Cn1nc2n(c1=O)CCCCC2 ZINC000238071636 949992066 /nfs/dbraw/zinc/99/20/66/949992066.db2.gz CTJYMVICJYIWAP-SNVBAGLBSA-N -1 0 308.338 -0.153 20 0 DBADRM O=C([O-])C1(C(=O)NCCN2C(=O)CCCC2=O)CCOCC1 ZINC001595285016 950004772 /nfs/dbraw/zinc/00/47/72/950004772.db2.gz BVEBYAKLELSUJM-UHFFFAOYSA-N -1 0 312.322 -0.477 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC[C@@H]1CNC(=O)C1)C2 ZINC001595285057 950005203 /nfs/dbraw/zinc/00/52/03/950005203.db2.gz JUCXIQDMPPDHGM-BHDSKKPTSA-N -1 0 311.338 -0.745 20 0 DBADRM O=C(CN1CCCC[C@H]1C(=O)[O-])N[C@H]1CCS(=O)(=O)C1 ZINC000252437297 950019206 /nfs/dbraw/zinc/01/92/06/950019206.db2.gz VAGYZUUYKBZUGD-UWVGGRQHSA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])c1cnc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cn1 ZINC001595286678 950039329 /nfs/dbraw/zinc/03/93/29/950039329.db2.gz WWMXPWDEJNOMON-VIFPVBQESA-N -1 0 304.262 -0.806 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001595291430 950070590 /nfs/dbraw/zinc/07/05/90/950070590.db2.gz FUOSFWRPXYVLKE-XKNYDFJKSA-N -1 0 309.322 -0.171 20 0 DBADRM CCCS(=O)(=O)N1CCC(NC(=O)[C@@H](OC)C(=O)[O-])CC1 ZINC001589685330 950070774 /nfs/dbraw/zinc/07/07/74/950070774.db2.gz ZLFUZIGHGQUKQQ-SNVBAGLBSA-N -1 0 322.383 -0.594 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)Cc2ccccc21 ZINC001595292264 950077895 /nfs/dbraw/zinc/07/78/95/950077895.db2.gz MOVFRXIFAVCBDR-MNOVXSKESA-N -1 0 317.301 -0.205 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)nc1 ZINC001595292361 950080736 /nfs/dbraw/zinc/08/07/36/950080736.db2.gz MUCPMYABVOWAIB-GHMZBOCLSA-N -1 0 305.290 -0.491 20 0 DBADRM O=C([O-])C1(C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CCSCC1 ZINC001595293171 950089160 /nfs/dbraw/zinc/08/91/60/950089160.db2.gz WELWLYZUCBLDNW-OCAPTIKFSA-N -1 0 312.347 -0.685 20 0 DBADRM O=C([O-])C1(C(=O)OCCN2CCOCC2=O)CCSCC1 ZINC001595293893 950096422 /nfs/dbraw/zinc/09/64/22/950096422.db2.gz WAUPMSQNYVUBCF-UHFFFAOYSA-N -1 0 317.363 -0.014 20 0 DBADRM CCCc1nnc(SCC(=O)NC[C@H](C)C(=O)[O-])n1N ZINC001589693554 950148185 /nfs/dbraw/zinc/14/81/85/950148185.db2.gz XFPIGXKRYPZOBQ-ZETCQYMHSA-N -1 0 301.372 -0.127 20 0 DBADRM CCN(C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)[C@H]1CCNC1=O ZINC001589696857 950173125 /nfs/dbraw/zinc/17/31/25/950173125.db2.gz DVJNKBRKCBEIID-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN(C(=O)C(=O)Nc1c(C)ccn(C)c1=O)[C@@H](C)C(=O)[O-] ZINC001589697306 950177458 /nfs/dbraw/zinc/17/74/58/950177458.db2.gz OCZAGXKZHSFLBN-VIFPVBQESA-N -1 0 309.322 -0.046 20 0 DBADRM CCN(C(=O)C(=O)Nc1c(C)ccn(C)c1=O)[C@H](C)C(=O)[O-] ZINC001589697305 950178853 /nfs/dbraw/zinc/17/88/53/950178853.db2.gz OCZAGXKZHSFLBN-SECBINFHSA-N -1 0 309.322 -0.046 20 0 DBADRM CC(C)(C)CCNC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001573844330 950192020 /nfs/dbraw/zinc/19/20/20/950192020.db2.gz GEVRROYAIMKUQY-UHFFFAOYSA-N -1 0 321.341 -0.319 20 0 DBADRM CCN(C(=O)C(=O)Nc1cncnc1N(C)C)[C@H](C)C(=O)[O-] ZINC001589697957 950194271 /nfs/dbraw/zinc/19/42/71/950194271.db2.gz HVQPLKHDRYQBIQ-MRVPVSSYSA-N -1 0 309.326 -0.197 20 0 DBADRM CCN(C(=O)C(=O)Nc1nc2n(n1)CCCC2)[C@H](C)C(=O)[O-] ZINC001589698207 950197891 /nfs/dbraw/zinc/19/78/91/950197891.db2.gz NFFXWGZDMLAUCK-MRVPVSSYSA-N -1 0 309.326 -0.126 20 0 DBADRM CCN(C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)[C@H](C)C(=O)[O-] ZINC001589698455 950201938 /nfs/dbraw/zinc/20/19/38/950201938.db2.gz QFRGGPDPFXAQBX-NXEZZACHSA-N -1 0 315.370 -0.286 20 0 DBADRM C[C@H](C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001485296378 1013100841 /nfs/dbraw/zinc/10/08/41/1013100841.db2.gz PRAYFYHVTDMXAT-DTWKUNHWSA-N -1 0 308.346 -0.701 20 0 DBADRM CCN([C@@H](C)C(=O)[O-])S(=O)(=O)CCCCS(N)(=O)=O ZINC001589713198 950340029 /nfs/dbraw/zinc/34/00/29/950340029.db2.gz HJVIKTDNLLWIBA-QMMMGPOBSA-N -1 0 316.401 -0.820 20 0 DBADRM CCN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)[C@@H](C)C(=O)[O-] ZINC001589718656 950378055 /nfs/dbraw/zinc/37/80/55/950378055.db2.gz AHVFXLOTOBTMBR-ZETCQYMHSA-N -1 0 324.337 -0.156 20 0 DBADRM CCN(CC)C(=O)[C@H]1CCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001589721445 950429135 /nfs/dbraw/zinc/42/91/35/950429135.db2.gz XNSLZSHDEHKDHY-LLVKDONJSA-N -1 0 320.411 -0.181 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCn1ncnn1 ZINC000380098984 971675200 /nfs/dbraw/zinc/67/52/00/971675200.db2.gz WVBAJZOXMGDQJQ-UHFFFAOYSA-N -1 0 301.284 -0.749 20 0 DBADRM Cn1nnc(Br)c1C(=O)NCC[C@H](O)C(=O)[O-] ZINC000380038819 971670874 /nfs/dbraw/zinc/67/08/74/971670874.db2.gz IPWFTCOHNUFZRC-BYPYZUCNSA-N -1 0 307.104 -0.857 20 0 DBADRM CCN1C(=O)CO[C@H](C(=O)OCC(=O)[O-])[C@H]1c1nccn1C ZINC001589740378 950577857 /nfs/dbraw/zinc/57/78/57/950577857.db2.gz QLMMNYJIVOYOBP-QWRGUYRKSA-N -1 0 311.294 -0.664 20 0 DBADRM CCN1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001589741200 950591544 /nfs/dbraw/zinc/59/15/44/950591544.db2.gz FHTYDUOPOWUCOP-FRRDWIJNSA-N -1 0 323.393 -0.234 20 0 DBADRM CCN1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CC1=O ZINC001589743812 950634802 /nfs/dbraw/zinc/63/48/02/950634802.db2.gz BOHGXWNZAAQJDS-UHFFFAOYSA-N -1 0 320.305 -0.591 20 0 DBADRM CC[C@@H](C)N(CCO)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000380145562 971681092 /nfs/dbraw/zinc/68/10/92/971681092.db2.gz WHTMAFJKXDQUQX-SECBINFHSA-N -1 0 305.356 -0.251 20 0 DBADRM NC(=O)[C@]1(O)CCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000380178466 971682788 /nfs/dbraw/zinc/68/27/88/971682788.db2.gz ASNYLQGXEJWJCB-JTQLQIEISA-N -1 0 320.348 -0.943 20 0 DBADRM CCNC(=O)[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)C(C)C ZINC001589909563 950727360 /nfs/dbraw/zinc/72/73/60/950727360.db2.gz SIBRNDQKEQGTOR-ZJUUUORDSA-N -1 0 301.343 -0.358 20 0 DBADRM CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)C(=O)[O-])c1 ZINC001589960246 950736846 /nfs/dbraw/zinc/73/68/46/950736846.db2.gz QEOLYXDKEJMQMJ-UHFFFAOYSA-N -1 0 315.303 -0.205 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001590057236 950766819 /nfs/dbraw/zinc/76/68/19/950766819.db2.gz DCVZYOMHENXKSD-MSLVZZLFSA-N -1 0 314.338 -0.330 20 0 DBADRM CCOC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001590058632 950780071 /nfs/dbraw/zinc/78/00/71/950780071.db2.gz QAAHPBOEDOFVFR-BBBLOLIVSA-N -1 0 322.383 -0.043 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1(C(=O)[O-])CC1 ZINC001590058616 950781540 /nfs/dbraw/zinc/78/15/40/950781540.db2.gz PTOGFHFPGSHVMK-YUMQZZPRSA-N -1 0 300.311 -0.576 20 0 DBADRM CC(C)CC[C@@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001574185205 950793618 /nfs/dbraw/zinc/79/36/18/950793618.db2.gz UHOHOOCAMRVSGO-QMMMGPOBSA-N -1 0 323.357 -0.125 20 0 DBADRM CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001590129975 950807740 /nfs/dbraw/zinc/80/77/40/950807740.db2.gz UGALFKRJCJIYHR-SECBINFHSA-N -1 0 310.310 -0.176 20 0 DBADRM CCOC(=O)C(NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])C(=O)OCC ZINC001590138063 950829578 /nfs/dbraw/zinc/82/95/78/950829578.db2.gz PLQIGKSEHZQGMZ-HTQZYQBOSA-N -1 0 301.295 -0.292 20 0 DBADRM CCOC(=O)C1(C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001590139201 950835177 /nfs/dbraw/zinc/83/51/77/950835177.db2.gz XMDJPPZIWCKBHQ-SNVBAGLBSA-N -1 0 315.322 -0.342 20 0 DBADRM O=C([O-])CC1(C(=O)N2CCC(O)(CO)CC2)CCOCC1 ZINC001594970771 950848944 /nfs/dbraw/zinc/84/89/44/950848944.db2.gz KFALWICECMKDRB-UHFFFAOYSA-N -1 0 301.339 -0.396 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)Nc2c[nH]nc2-c2nnn[n-]2)n1 ZINC001573893359 950878938 /nfs/dbraw/zinc/87/89/38/950878938.db2.gz BJAMBZJHQPXWHT-UHFFFAOYSA-N -1 0 317.317 -0.488 20 0 DBADRM O=C([O-])CC1(C(=O)N2CCS(=O)(=O)CCO2)CCOCC1 ZINC001594973204 950884896 /nfs/dbraw/zinc/88/48/96/950884896.db2.gz QCTQGBVMRQSNPL-UHFFFAOYSA-N -1 0 321.351 -0.554 20 0 DBADRM O=C([O-])CC1(C(=O)N2CCS(=O)(=O)CC2)CCOCC1 ZINC001594973222 950885489 /nfs/dbraw/zinc/88/54/89/950885489.db2.gz QYCLQEVBKHMLCR-UHFFFAOYSA-N -1 0 305.352 -0.485 20 0 DBADRM O=C([O-])CC1(C(=O)N[C@H]2CCCS(=O)(=O)C2)CCOCC1 ZINC001594974006 950896956 /nfs/dbraw/zinc/89/69/56/950896956.db2.gz JGOGWHJWRCMUEP-JTQLQIEISA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])c1cncc(NC(=O)NCC(=O)N2CCOCC2)c1 ZINC000317381289 950905658 /nfs/dbraw/zinc/90/56/58/950905658.db2.gz JTXVOWNDKDOEJC-UHFFFAOYSA-N -1 0 308.294 -0.240 20 0 DBADRM CCOC(=O)[C@@H]1CSCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001590346902 950912574 /nfs/dbraw/zinc/91/25/74/950912574.db2.gz OTMIOLDPRGLTAY-JGVFFNPUSA-N -1 0 302.308 -0.320 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC000319468732 950960100 /nfs/dbraw/zinc/96/01/00/950960100.db2.gz QICCKEQZNOOXJO-IINYFYTJSA-N -1 0 313.354 -0.273 20 0 DBADRM C[C@](NC(=O)[C@@H]1CC(=O)NC(=O)N1)(C(=O)[O-])c1ccccc1 ZINC000320007696 950973589 /nfs/dbraw/zinc/97/35/89/950973589.db2.gz VDFLGFMTEWBWTG-LKFCYVNXSA-N -1 0 305.290 -0.299 20 0 DBADRM CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC001590873746 951009235 /nfs/dbraw/zinc/00/92/35/951009235.db2.gz PWSMKQSHKQXPJQ-LNFKQOIKSA-N -1 0 314.338 -0.337 20 0 DBADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cnn(C[C@H](O)CO)c1 ZINC001594984816 951015660 /nfs/dbraw/zinc/01/56/60/951015660.db2.gz ZVDMIJODTXWDNG-NEPJUHHUSA-N -1 0 311.338 -0.294 20 0 DBADRM CCOC(=O)NCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001590884293 951017036 /nfs/dbraw/zinc/01/70/36/951017036.db2.gz UDPXHJTWHAYBHA-SECBINFHSA-N -1 0 315.326 -0.686 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000322949474 951040115 /nfs/dbraw/zinc/04/01/15/951040115.db2.gz RFXDRDBNNJWHCS-NOZJJQNGSA-N -1 0 301.343 -0.356 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NC[C@@H]2CCS(=O)(=O)C2)CO1 ZINC001595001158 951127586 /nfs/dbraw/zinc/12/75/86/951127586.db2.gz KFJQNEFSJAODBF-HBNTYKKESA-N -1 0 319.379 -0.193 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@H]2CCc3nnnn3CC2)CO1 ZINC001595001810 951138427 /nfs/dbraw/zinc/13/84/27/951138427.db2.gz PMZHEBXGJRTJFY-GARJFASQSA-N -1 0 323.353 -0.236 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCc3nnnn3CC2)CO1 ZINC001595001812 951138786 /nfs/dbraw/zinc/13/87/86/951138786.db2.gz PMZHEBXGJRTJFY-GMTAPVOTSA-N -1 0 323.353 -0.236 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)OCCN2CCNC2=O)CO1 ZINC001595002573 951151210 /nfs/dbraw/zinc/15/12/10/951151210.db2.gz AAWPIRXTKKMOJU-UWVGGRQHSA-N -1 0 300.311 -0.175 20 0 DBADRM CCO[C@@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])[C@@H]1CCOC1 ZINC001591531816 951160971 /nfs/dbraw/zinc/16/09/71/951160971.db2.gz ZCBCWOJRWVMKIE-JFGNBEQYSA-N -1 0 317.338 -0.049 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@H](CO)Cc2c[nH]cn2)CO1 ZINC001595003277 951164652 /nfs/dbraw/zinc/16/46/52/951164652.db2.gz CNIFPGROTZTIGP-ZMLRMANQSA-N -1 0 311.338 -0.301 20 0 DBADRM CCOC(=O)N1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC000380370521 951186304 /nfs/dbraw/zinc/18/63/04/951186304.db2.gz QXTDOMRKJMEYFL-UHFFFAOYSA-N -1 0 308.356 -0.740 20 0 DBADRM CCOC1CC(O)(CNC(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001591761103 951199630 /nfs/dbraw/zinc/19/96/30/951199630.db2.gz BNUZDAYKAZABLO-UHFFFAOYSA-N -1 0 301.339 -0.086 20 0 DBADRM CCOC1CC2(C[C@H]2NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001591763022 951211039 /nfs/dbraw/zinc/21/10/39/951211039.db2.gz ZXKPIVJALJPACG-GPZIFOQPSA-N -1 0 310.350 -0.007 20 0 DBADRM CCOC1CC2(C[C@@H]2NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC001591763023 951211340 /nfs/dbraw/zinc/21/13/40/951211340.db2.gz ZXKPIVJALJPACG-PAPNWUEJSA-N -1 0 310.350 -0.007 20 0 DBADRM CCO[C@H]1COCC[C@@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001591765476 951222967 /nfs/dbraw/zinc/22/29/67/951222967.db2.gz YBTUBPQEYIUZBF-DCAQKATOSA-N -1 0 322.383 -0.436 20 0 DBADRM CCOC[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001591878114 951238092 /nfs/dbraw/zinc/23/80/92/951238092.db2.gz YDAXPXUAYOBNSK-SNVBAGLBSA-N -1 0 324.337 -0.209 20 0 DBADRM CCOCCOC1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001591925742 951240720 /nfs/dbraw/zinc/24/07/20/951240720.db2.gz AJBYNJRCAZAYTJ-NSHDSACASA-N -1 0 322.383 -0.483 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCN(c2ccccn2)CC1 ZINC000385721669 951284592 /nfs/dbraw/zinc/28/45/92/951284592.db2.gz VVRIJLFUSOYXJN-UHFFFAOYSA-N -1 0 313.379 -0.297 20 0 DBADRM CCO[C@H]1CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001592004177 951286312 /nfs/dbraw/zinc/28/63/12/951286312.db2.gz OQQUMEIBKVXVIZ-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000386628590 951301413 /nfs/dbraw/zinc/30/14/13/951301413.db2.gz FSDZMWHMQNAJRP-PHIMTYICSA-N -1 0 317.301 -0.201 20 0 DBADRM C[C@@H](CNC(=O)c1ccoc1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575038896 951327108 /nfs/dbraw/zinc/32/71/08/951327108.db2.gz MVNRMRZTBKJSCJ-QMMMGPOBSA-N -1 0 314.309 -0.098 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000389451136 951350149 /nfs/dbraw/zinc/35/01/49/951350149.db2.gz QESCSKWHJWHLBB-LLVKDONJSA-N -1 0 304.306 -0.040 20 0 DBADRM O=C([O-])CCCCC(=O)NCCN1CCS(=O)(=O)CC1 ZINC001595034439 951386965 /nfs/dbraw/zinc/38/69/65/951386965.db2.gz TYWLTWUUYLIDFS-UHFFFAOYSA-N -1 0 306.384 -0.522 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(=O)[nH]n2)C1 ZINC000391434469 951397834 /nfs/dbraw/zinc/39/78/34/951397834.db2.gz MUSXDNKTZNAJGG-CYBMUJFWSA-N -1 0 310.310 -0.185 20 0 DBADRM CCN1C[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1=O ZINC000391467351 951397921 /nfs/dbraw/zinc/39/79/21/951397921.db2.gz DFQVYOGPSQWQSR-JTQLQIEISA-N -1 0 319.383 -0.762 20 0 DBADRM O=C([O-])CCCCCNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001595035728 951403909 /nfs/dbraw/zinc/40/39/09/951403909.db2.gz XGMFXWUNYYVDEL-VIFPVBQESA-N -1 0 312.326 -0.423 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001593123601 951411398 /nfs/dbraw/zinc/41/13/98/951411398.db2.gz SDDFTCCBXIBQOC-GFCCVEGCSA-N -1 0 305.352 -0.296 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CC[C@@H](C2OCCO2)C1 ZINC001595041311 951426268 /nfs/dbraw/zinc/42/62/68/951426268.db2.gz ZHQPPJOEFQXODX-SNVBAGLBSA-N -1 0 314.338 -0.421 20 0 DBADRM C[S@@](=O)C1(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)CCC1 ZINC000393781578 951440626 /nfs/dbraw/zinc/44/06/26/951440626.db2.gz UKHHYXZIGFXBOU-GWNMQOMSSA-N -1 0 304.368 -0.217 20 0 DBADRM CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4cn(CC(=O)[O-])nn4)[C@H]1[C@H]3C2 ZINC000394293227 951450917 /nfs/dbraw/zinc/45/09/17/951450917.db2.gz PPGLJIRIWFXPCF-GOTDPSQWSA-N -1 0 306.322 -0.142 20 0 DBADRM CC[C@](C)(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(N)=O ZINC000394394315 951452357 /nfs/dbraw/zinc/45/23/57/951452357.db2.gz CIZGPBHFMRJYJY-NSHDSACASA-N -1 0 307.372 -0.729 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC001595048287 951454063 /nfs/dbraw/zinc/45/40/63/951454063.db2.gz LVKJSJFIKFVKSB-ZETCQYMHSA-N -1 0 312.244 -0.243 20 0 DBADRM O=C([O-])CCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001595049880 951464616 /nfs/dbraw/zinc/46/46/16/951464616.db2.gz GCHSYDOXUPXQSF-NEPJUHHUSA-N -1 0 300.355 -0.153 20 0 DBADRM Cc1cc(C)c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c(=O)[nH]1 ZINC000396650084 951480574 /nfs/dbraw/zinc/48/05/74/951480574.db2.gz NPSUICTUGCVRJS-UHFFFAOYSA-N -1 0 307.306 -0.227 20 0 DBADRM O=C([O-])CCN(C(=O)[C@H]1CCS(=O)(=O)C1)C1CCOCC1 ZINC001595053497 951483159 /nfs/dbraw/zinc/48/31/59/951483159.db2.gz RXIAOMQXTYLBNI-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CC[C@H](O)[C@H](CO)C2)CCOCC1 ZINC000396826982 951489116 /nfs/dbraw/zinc/48/91/16/951489116.db2.gz NRDCVFQETXVXLZ-QWRGUYRKSA-N -1 0 316.354 -0.748 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001595055981 951498598 /nfs/dbraw/zinc/49/85/98/951498598.db2.gz MFRXICDJLMGWSM-VIFPVBQESA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC001595055932 951498806 /nfs/dbraw/zinc/49/88/06/951498806.db2.gz LGPMJDVMRWQBEC-ZANVPECISA-N -1 0 300.311 -0.968 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001595056139 951501749 /nfs/dbraw/zinc/50/17/49/951501749.db2.gz PMURRKOBBDOBLI-RNFRBKRXSA-N -1 0 312.244 -0.197 20 0 DBADRM C[C@H](CNC(=O)CCc1ccnn1C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485309916 1013110623 /nfs/dbraw/zinc/11/06/23/1013110623.db2.gz QKYRYTBGGQJVCY-SNVBAGLBSA-N -1 0 321.385 -0.187 20 0 DBADRM CNC(=O)[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000398569815 951593190 /nfs/dbraw/zinc/59/31/90/951593190.db2.gz LCAFTNKQHSQRMB-SNVBAGLBSA-N -1 0 319.383 -0.904 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCn3c(nnc3C(F)F)C2)C1=O ZINC001595073697 951617199 /nfs/dbraw/zinc/61/71/99/951617199.db2.gz FJXMGKDFJCAJGX-ZETCQYMHSA-N -1 0 315.280 -0.283 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCN(c3ncccn3)CC2)C1=O ZINC001595074021 951624489 /nfs/dbraw/zinc/62/44/89/951624489.db2.gz LKGYNWPUJILRPY-LLVKDONJSA-N -1 0 305.338 -0.716 20 0 DBADRM O=C([O-])CN1CC[C@H]([NH+]2CCC(CN3CCNC3=O)CC2)C1=O ZINC001595074398 951629980 /nfs/dbraw/zinc/62/99/80/951629980.db2.gz QPYLNHRGCYUVBA-LBPRGKRZSA-N -1 0 324.381 -0.591 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCN(c3cnccn3)CC2)C1=O ZINC001595074413 951630737 /nfs/dbraw/zinc/63/07/37/951630737.db2.gz RBIZHOAZAMBUDB-NSHDSACASA-N -1 0 305.338 -0.716 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)c2cc3n(n2)CCCO3)C1=O ZINC001595081241 951681153 /nfs/dbraw/zinc/68/11/53/951681153.db2.gz HHYFWWOVUXYEDI-SECBINFHSA-N -1 0 309.278 -0.492 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)[C@@H](O)C2CCOCC2)C1=O ZINC001595081400 951683406 /nfs/dbraw/zinc/68/34/06/951683406.db2.gz TUMBQCLZSLRHDU-ONGXEEELSA-N -1 0 301.295 -0.997 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@@H]2C[C@H](O)C23CCC3)C1=O ZINC001595082921 951704139 /nfs/dbraw/zinc/70/41/39/951704139.db2.gz HXFYURXQYAFSRL-MXWKQRLJSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])CN1CC[C@@H](n2cc(C3CC4(C3)OCCO4)nn2)C1=O ZINC001595083134 951706462 /nfs/dbraw/zinc/70/64/62/951706462.db2.gz ZQBXGYIIPXNDBL-LLVKDONJSA-N -1 0 322.321 -0.243 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCCN2CCCC2=O)C1=O ZINC001595083586 951710072 /nfs/dbraw/zinc/71/00/72/951710072.db2.gz RGMIQRRZOYOIIT-JTQLQIEISA-N -1 0 311.338 -0.952 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@H]2CCc3cncn3C2)C1=O ZINC001595085900 951727027 /nfs/dbraw/zinc/72/70/27/951727027.db2.gz XAXPGFFQAGGAQN-CMPLNLGQSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@@H]2CCc3cncn3C2)C1=O ZINC001595085902 951727554 /nfs/dbraw/zinc/72/75/54/951727554.db2.gz XAXPGFFQAGGAQN-PWSUYJOCSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCC[C@@H](CCO)C2)C1=O ZINC001595086613 951735311 /nfs/dbraw/zinc/73/53/11/951735311.db2.gz LVXVAXCDLNELTB-NWDGAFQWSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC[C@](F)(CO)C2)C1=O ZINC001595087367 951745743 /nfs/dbraw/zinc/74/57/43/951745743.db2.gz SSCXCCGAIUKUFP-NOZJJQNGSA-N -1 0 302.302 -0.758 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)O[C@@H]2CCN(C3CC3)C2=O)C1=O ZINC001595087747 951750491 /nfs/dbraw/zinc/75/04/91/951750491.db2.gz RTXZDKDETAGAPK-WDEREUQCSA-N -1 0 324.333 -0.384 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)C1=O ZINC001595089371 951757060 /nfs/dbraw/zinc/75/70/60/951757060.db2.gz CKDDWUXXCLUCTE-WTTBSCSTSA-N -1 0 308.334 -0.207 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1=O ZINC001595090655 951769994 /nfs/dbraw/zinc/76/99/94/951769994.db2.gz QTJMYNUZEGIWPZ-ZJUUUORDSA-N -1 0 311.338 -0.763 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)CCc2cn[nH]c2)C1=O ZINC001595090909 951773263 /nfs/dbraw/zinc/77/32/63/951773263.db2.gz USHAIEXQLJXWQS-NSHDSACASA-N -1 0 308.338 -0.076 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NCC2(O)CCC2)C1=O ZINC001595091961 951785795 /nfs/dbraw/zinc/78/57/95/951785795.db2.gz XEAYRPHKNASRFT-JTQLQIEISA-N -1 0 313.354 -0.334 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)[C@H](O)c2ccccn2)C1=O ZINC001595092337 951790910 /nfs/dbraw/zinc/79/09/10/951790910.db2.gz PDMAFWPUBSIDNO-WCQYABFASA-N -1 0 321.333 -0.303 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](N2C(=O)NC3(CCC3)C2=O)C1=O ZINC001595092435 951792724 /nfs/dbraw/zinc/79/27/24/951792724.db2.gz SQJNAVQLHSPTDM-SECBINFHSA-N -1 0 309.322 -0.073 20 0 DBADRM O=C([O-])CN1CCCC[C@H](N2C(=O)N[C@@H](CF)C2=O)C1=O ZINC001595092536 951793755 /nfs/dbraw/zinc/79/37/55/951793755.db2.gz WTYFGYMEYJSGBR-YUMQZZPRSA-N -1 0 301.274 -0.658 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)c2cnncc2O)C1=O ZINC001595095382 951808862 /nfs/dbraw/zinc/80/88/62/951808862.db2.gz DEGFGEWWCQQYTG-SECBINFHSA-N -1 0 308.294 -0.622 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1=O ZINC001595096112 951814397 /nfs/dbraw/zinc/81/43/97/951814397.db2.gz LDSZFKJCXFCRQK-VIFPVBQESA-N -1 0 308.294 -0.622 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](OC(=O)[C@H]2COCCO2)C1=O ZINC001595096101 951814476 /nfs/dbraw/zinc/81/44/76/951814476.db2.gz DUOREAMSTMYJES-NXEZZACHSA-N -1 0 301.295 -0.589 20 0 DBADRM O=C([O-])CNC(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001595096926 951824227 /nfs/dbraw/zinc/82/42/27/951824227.db2.gz JAPNDLLXRWTXGH-GXSJLCMTSA-N -1 0 307.224 -0.002 20 0 DBADRM O=C([O-])CNC(=O)CN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC001595097451 951832974 /nfs/dbraw/zinc/83/29/74/951832974.db2.gz IVMYPPLRRCTNPD-IUODEOHRSA-N -1 0 310.325 -0.013 20 0 DBADRM O=C([O-])C[NH2+]Cc1cn(CC(=O)NCc2ccccc2F)nn1 ZINC001595102573 951861952 /nfs/dbraw/zinc/86/19/52/951861952.db2.gz KYJDATYJPMWZJU-UHFFFAOYSA-N -1 0 321.312 -0.092 20 0 DBADRM O=C([O-])COCC(=O)N[C@H](CO)C(=O)OCc1ccccc1 ZINC001595105979 951876742 /nfs/dbraw/zinc/87/67/42/951876742.db2.gz QIBSXZZHVRWXBZ-LLVKDONJSA-N -1 0 311.290 -0.692 20 0 DBADRM O=C([O-])COCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001595105937 951876988 /nfs/dbraw/zinc/87/69/88/951876988.db2.gz PAFINYLLNUXHHJ-WDEREUQCSA-N -1 0 306.318 -0.105 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)NCc1cc(F)ccc1F ZINC001595111896 951910166 /nfs/dbraw/zinc/91/01/66/951910166.db2.gz CTTWQBPQBZEGBI-UHFFFAOYSA-N -1 0 316.260 -0.202 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCO[C@@H](C2CCC2)C1 ZINC001595112508 951913988 /nfs/dbraw/zinc/91/39/88/951913988.db2.gz VZBGEALKGDAVDB-LLVKDONJSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])COCCOCCN1C(=O)[C@@H]2CSCN2C1=O ZINC001595112681 951916083 /nfs/dbraw/zinc/91/60/83/951916083.db2.gz DVLVMTWVIKUTDL-QMMMGPOBSA-N -1 0 304.324 -0.559 20 0 DBADRM O=C([O-])COCCOCCNC(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001595112838 951918723 /nfs/dbraw/zinc/91/87/23/951918723.db2.gz LKKCUBUHGALYCF-SNVBAGLBSA-N -1 0 321.351 -0.831 20 0 DBADRM O=C([O-])COCCOCCN1C(=O)NC2(CCCC2)C1=O ZINC001595113006 951920240 /nfs/dbraw/zinc/92/02/40/951920240.db2.gz SEKBHNXHLZNHHX-UHFFFAOYSA-N -1 0 300.311 -0.031 20 0 DBADRM O=C([O-])COCCOCCN1C(=O)[C@H]2CSCCN2C1=O ZINC001595113009 951920314 /nfs/dbraw/zinc/92/03/14/951920314.db2.gz SJBJWHJJQIJHJA-SECBINFHSA-N -1 0 318.351 -0.516 20 0 DBADRM O=C([O-])COCCOCCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001595113040 951920363 /nfs/dbraw/zinc/92/03/63/951920363.db2.gz UUOIOZNNCHOQSZ-JTQLQIEISA-N -1 0 302.327 -0.863 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N[C@@H]1CCC[C@@H]1CO ZINC001595113528 951926653 /nfs/dbraw/zinc/92/66/53/951926653.db2.gz ATLUXIOREBNILQ-GHMZBOCLSA-N -1 0 304.343 -0.436 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001595113688 951928993 /nfs/dbraw/zinc/92/89/93/951928993.db2.gz GRQSAEMQIZJCGR-NXEZZACHSA-N -1 0 308.306 -0.782 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@@H](CN2CCOC2=O)C1 ZINC001595113937 951932262 /nfs/dbraw/zinc/93/22/62/951932262.db2.gz SIZNJGREIZBFSV-SNVBAGLBSA-N -1 0 315.326 -0.429 20 0 DBADRM O=C([O-])COCCNC(=O)NCCN1C(=O)Cc2ccccc21 ZINC001595114079 951933166 /nfs/dbraw/zinc/93/31/66/951933166.db2.gz XYOUAUCXYJPTTL-UHFFFAOYSA-N -1 0 321.333 -0.024 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NC[C@@H]1CCCCO1 ZINC001595114265 951936018 /nfs/dbraw/zinc/93/60/18/951936018.db2.gz YDSQSCJSCMIQOP-NSHDSACASA-N -1 0 304.343 -0.028 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC001595114268 951936262 /nfs/dbraw/zinc/93/62/62/951936262.db2.gz YESIGGUVOBRPMV-GXFFZTMASA-N -1 0 302.327 -0.730 20 0 DBADRM CN(CCC(N)=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000381918135 971788287 /nfs/dbraw/zinc/78/82/87/971788287.db2.gz HHIUWVJNCBHLSQ-UHFFFAOYSA-N -1 0 322.321 -0.160 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1cnc2n[nH]cc2c1 ZINC001595116630 951946808 /nfs/dbraw/zinc/94/68/08/951946808.db2.gz NTNCPCJBGDNRRN-UHFFFAOYSA-N -1 0 308.294 -0.195 20 0 DBADRM O=C([O-])COc1cccc(C(=O)OCCN2C(=O)CNC2=O)c1 ZINC001595123649 951989159 /nfs/dbraw/zinc/98/91/59/951989159.db2.gz LTKYGMRPPQGIJG-UHFFFAOYSA-N -1 0 322.273 -0.141 20 0 DBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC(C(N)=O)C1 ZINC000381977175 971793089 /nfs/dbraw/zinc/79/30/89/971793089.db2.gz XNNBFXKLRNIULX-UHFFFAOYSA-N -1 0 314.319 -0.501 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC2(CC1)COCCO2 ZINC001595123929 951993360 /nfs/dbraw/zinc/99/33/60/951993360.db2.gz HBHYHXHVRSVMRK-UHFFFAOYSA-N -1 0 307.368 -0.633 20 0 DBADRM O=C([O-])CS(=O)(=O)CCNc1cccc([C@H](O)CO)c1 ZINC001595124810 952004651 /nfs/dbraw/zinc/00/46/51/952004651.db2.gz HFAWTGHMDCXHON-LLVKDONJSA-N -1 0 303.336 -0.376 20 0 DBADRM C[C@H](C[S@](C)=O)NS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000382027335 971796492 /nfs/dbraw/zinc/79/64/92/971796492.db2.gz QUMYQACGONJPQQ-MDTSDYNXSA-N -1 0 306.365 -0.175 20 0 DBADRM O=C([O-])Cn1cc(-c2noc(Cn3ccnc3)n2)c(=O)[nH]c1=O ZINC001595140366 952075110 /nfs/dbraw/zinc/07/51/10/952075110.db2.gz SNMAWRQYECRVSB-UHFFFAOYSA-N -1 0 318.249 -0.672 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@@H]2CC3(CO2)CCOCC3)nn1 ZINC001595141174 952079751 /nfs/dbraw/zinc/07/97/51/952079751.db2.gz BBNZUUGSMUTAKS-JTQLQIEISA-N -1 0 324.337 -0.322 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)nn1 ZINC001595142518 952092200 /nfs/dbraw/zinc/09/22/00/952092200.db2.gz MPXYJJKYQSNKIN-APPZFPTMSA-N -1 0 322.243 -0.110 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)nn1 ZINC001595143110 952096263 /nfs/dbraw/zinc/09/62/63/952096263.db2.gz SZPARAAQEAWKCT-LLVKDONJSA-N -1 0 323.353 -0.701 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)nn1 ZINC001595143124 952096278 /nfs/dbraw/zinc/09/62/78/952096278.db2.gz UTWLOAWUGVAJND-RYUDHWBXSA-N -1 0 323.353 -0.966 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC2CCC3(CC2)OCCO3)nn1 ZINC001595143231 952098835 /nfs/dbraw/zinc/09/88/35/952098835.db2.gz WHSIVEFQAONKOX-UHFFFAOYSA-N -1 0 310.310 -0.222 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCc2ccc(CCO)cc2)nn1 ZINC001595143725 952103699 /nfs/dbraw/zinc/10/36/99/952103699.db2.gz RXJIOYYCARJVDQ-UHFFFAOYSA-N -1 0 304.306 -0.173 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)C2(F)CCOCC2)nn1 ZINC001595146810 952118139 /nfs/dbraw/zinc/11/81/39/952118139.db2.gz UBRJMXKVTSBRFU-UHFFFAOYSA-N -1 0 301.274 -0.033 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)n1 ZINC001595147487 952120587 /nfs/dbraw/zinc/12/05/87/952120587.db2.gz DVPNUMJWLODFTJ-VHSXEESVSA-N -1 0 322.321 -0.410 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@H](CCO)C2CC2)n1 ZINC001595148784 952130436 /nfs/dbraw/zinc/13/04/36/952130436.db2.gz ZLNSZHDPETZWGN-SECBINFHSA-N -1 0 310.310 -0.817 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)Nc2cnn(CCF)c2)n1 ZINC001595151346 952134458 /nfs/dbraw/zinc/13/44/58/952134458.db2.gz QTJUAJWZDIBPPI-UHFFFAOYSA-N -1 0 324.272 -0.289 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCCOC(F)(F)F)n1 ZINC001595151395 952135456 /nfs/dbraw/zinc/13/54/56/952135456.db2.gz UGWNIJLQRRVSDY-UHFFFAOYSA-N -1 0 324.215 -0.441 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)OC[C@@H]2C[C@H]3COC[C@H]3O2)c1=O ZINC001595158782 952183493 /nfs/dbraw/zinc/18/34/93/952183493.db2.gz VNMGPGAFJGWJNZ-JBLDHEPKSA-N -1 0 323.301 -0.106 20 0 DBADRM CC[C@](COC)(NS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000382393774 971811630 /nfs/dbraw/zinc/81/16/30/971811630.db2.gz XIFPXQATGRWYMK-LLVKDONJSA-N -1 0 305.356 -0.113 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2C[C@H](O)CN2c2ccncn2)C1 ZINC001595162555 952200677 /nfs/dbraw/zinc/20/06/77/952200677.db2.gz JBDRCFXFBYYELK-GRYCIOLGSA-N -1 0 320.349 -0.261 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)c2nc3ncc(CCO)cn3n2)C1 ZINC001595165080 952209238 /nfs/dbraw/zinc/20/92/38/952209238.db2.gz VVVCKPCVAXKUMM-SNVBAGLBSA-N -1 0 319.321 -0.404 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@H]1C[C@@H](O)C12CCC2 ZINC001595169943 952222471 /nfs/dbraw/zinc/22/24/71/952222471.db2.gz YAOMJWFGECWBRL-LPEHRKFASA-N -1 0 304.368 -0.327 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001595177898 952241521 /nfs/dbraw/zinc/24/15/21/952241521.db2.gz VGMALHKTRQBTHG-GMTAPVOTSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001595181224 952252073 /nfs/dbraw/zinc/25/20/73/952252073.db2.gz DPWHEOFZEWSWPM-GHMZBOCLSA-N -1 0 319.379 -0.193 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)C[C@H]1C1CC1 ZINC001595190366 952278898 /nfs/dbraw/zinc/27/88/98/952278898.db2.gz HQHHRZQMQLNIKV-LNFKQOIKSA-N -1 0 305.352 -0.882 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)Cc1ccon1)C2 ZINC001595192603 952291650 /nfs/dbraw/zinc/29/16/50/952291650.db2.gz RXXIBGRUVYTXIE-KWQFWETISA-N -1 0 302.308 -0.463 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCc3ncncc3C2)C1 ZINC001595195453 952297119 /nfs/dbraw/zinc/29/71/19/952297119.db2.gz CKMVVZIZSYQXKI-JTQLQIEISA-N -1 0 318.333 -0.316 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCC[C@]23CCOC3=O)C1 ZINC001595195464 952297257 /nfs/dbraw/zinc/29/72/57/952297257.db2.gz DEVKDDJHWPOKMK-ZUZCIYMTSA-N -1 0 324.333 -0.382 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)C1 ZINC001595195665 952298587 /nfs/dbraw/zinc/29/85/87/952298587.db2.gz RZZPPOYQOLZIMH-JTQLQIEISA-N -1 0 323.349 -0.857 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(Cc1nnn(CC(F)(F)F)n1)C2 ZINC001595202782 952317364 /nfs/dbraw/zinc/31/73/64/952317364.db2.gz FLEJZLVJYCQDGT-GMSGAONNSA-N -1 0 321.259 -0.232 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(Cn1nnc(-c3cscn3)n1)C2 ZINC001595202730 952317784 /nfs/dbraw/zinc/31/77/84/952317784.db2.gz CDYWPXBVLHYRIS-PRHODGIISA-N -1 0 322.350 -0.213 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=S)NC[C@@H]1CCOC1)C2 ZINC001595203207 952319091 /nfs/dbraw/zinc/31/90/91/952319091.db2.gz PNKMGDFVENXAAW-OPQQBVKSSA-N -1 0 300.380 -0.070 20 0 DBADRM O=C([O-])c1c[nH]nc1NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001595205494 952323056 /nfs/dbraw/zinc/32/30/56/952323056.db2.gz LCDNEKRUWJTKQR-LURJTMIESA-N -1 0 304.266 -0.177 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)[nH]n1 ZINC001595206540 952330055 /nfs/dbraw/zinc/33/00/55/952330055.db2.gz DTFBFTVRYGXMGD-MRVPVSSYSA-N -1 0 307.310 -0.262 20 0 DBADRM O=C([O-])c1cc(NC(=O)N2CCS(=O)(=O)CCO2)ccn1 ZINC001595210211 952361648 /nfs/dbraw/zinc/36/16/48/952361648.db2.gz QKPKKBUYFAPJNG-UHFFFAOYSA-N -1 0 315.307 -0.026 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000383298933 971861969 /nfs/dbraw/zinc/86/19/69/971861969.db2.gz PMJFCBWRKBYGRV-ZJUUUORDSA-N -1 0 305.352 -0.346 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000383626477 971882019 /nfs/dbraw/zinc/88/20/19/971882019.db2.gz HUKNGMQXHGRHQT-UHFFFAOYSA-N -1 0 322.368 -0.895 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(CCO)C[C@@H](C)O ZINC000383802230 971894797 /nfs/dbraw/zinc/89/47/97/971894797.db2.gz ZKZYTZVAIRNJAD-SSDOTTSWSA-N -1 0 307.324 -0.350 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1 ZINC000383968119 971904474 /nfs/dbraw/zinc/90/44/74/971904474.db2.gz HQJHKYNXSYYSTO-UHFFFAOYSA-N -1 0 315.347 -0.305 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000383997717 971905631 /nfs/dbraw/zinc/90/56/31/971905631.db2.gz RCXBCUFLEUZLHM-UHFFFAOYSA-N -1 0 319.310 -0.094 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1 ZINC001593353728 953351729 /nfs/dbraw/zinc/35/17/29/953351729.db2.gz GMLCRKVDEKFPEC-CYBMUJFWSA-N -1 0 318.395 -0.019 20 0 DBADRM Cn1nccc1[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-] ZINC000402524220 953354923 /nfs/dbraw/zinc/35/49/23/953354923.db2.gz MBOJJLPMBRCZHK-LLVKDONJSA-N -1 0 321.318 -0.209 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001593355372 953358789 /nfs/dbraw/zinc/35/87/89/953358789.db2.gz YIOFCKMQQUOLSM-OPRDCNLKSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)CCC1 ZINC001594739157 953361209 /nfs/dbraw/zinc/36/12/09/953361209.db2.gz SCLOGTKDRUSSEP-HBNTYKKESA-N -1 0 310.350 -0.271 20 0 DBADRM Cc1ccnc2nc(C(=O)N[C@@H](C(=O)[O-])c3ccnn3C)nn21 ZINC000402693440 953361844 /nfs/dbraw/zinc/36/18/44/953361844.db2.gz ZIGRMHOOOOYLLB-SECBINFHSA-N -1 0 315.293 -0.278 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001593459720 953370027 /nfs/dbraw/zinc/37/00/27/953370027.db2.gz GPCPUYDQSNPMFC-QDXVKYEASA-N -1 0 318.395 -0.560 20 0 DBADRM O=C([O-])C1(CNC(=O)N[C@@H](CO)[C@@H]2CCOC2)CCOCC1 ZINC001594742679 953371485 /nfs/dbraw/zinc/37/14/85/953371485.db2.gz YEMFTKVWDYTLBE-MNOVXSKESA-N -1 0 316.354 -0.436 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H](O)[C@H](F)C2)C1 ZINC001589266805 953375729 /nfs/dbraw/zinc/37/57/29/953375729.db2.gz XJSYPIUZDBJVRN-LMLFDSFASA-N -1 0 316.329 -0.513 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@H](O)[C@H](F)C2)C1 ZINC001589266810 953376725 /nfs/dbraw/zinc/37/67/25/953376725.db2.gz XJSYPIUZDBJVRN-YTWAJWBKSA-N -1 0 316.329 -0.513 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2cn(C)c(=O)[nH]c2=O)C1 ZINC001589271572 953411699 /nfs/dbraw/zinc/41/16/99/953411699.db2.gz HIEOVYRTELYLMV-RKDXNWHRSA-N -1 0 324.337 -0.262 20 0 DBADRM CC[C@@H](NC(=O)Nc1ccc(S(C)(=O)=O)nn1)C(=O)[O-] ZINC001593603851 953417928 /nfs/dbraw/zinc/41/79/28/953417928.db2.gz HIUCFXCQEZFRPE-ZCFIWIBFSA-N -1 0 302.312 -0.135 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCN2CCNC(=O)C2)C1 ZINC001589274775 953455773 /nfs/dbraw/zinc/45/57/73/953455773.db2.gz XOMRJKWUBVWSNG-WDEREUQCSA-N -1 0 312.370 -0.830 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCN2CCNC2=O)CCOCC1 ZINC001594758516 953487321 /nfs/dbraw/zinc/48/73/21/953487321.db2.gz VOQZENTYXIVRLT-UHFFFAOYSA-N -1 0 314.342 -0.808 20 0 DBADRM CC[C@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C(=O)OC ZINC001593617003 953503678 /nfs/dbraw/zinc/50/36/78/953503678.db2.gz XNGDBYQSSNIWFC-QMMMGPOBSA-N -1 0 321.351 -0.666 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nnc([C@@]3(O)CCOC3)n2C)C1 ZINC001589282131 953530497 /nfs/dbraw/zinc/53/04/97/953530497.db2.gz MCEBCJRNSLZVSR-GPCCPHFNSA-N -1 0 310.354 -0.030 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cn2nnc3c(cnn3C)c2=O)C1 ZINC001589282697 953538572 /nfs/dbraw/zinc/53/85/72/953538572.db2.gz WJHYLPFISNNDGQ-RKDXNWHRSA-N -1 0 306.326 -0.475 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(Cn2nnc3c(cnn3C)c2=O)C1 ZINC001589282695 953539185 /nfs/dbraw/zinc/53/91/85/953539185.db2.gz WJHYLPFISNNDGQ-DTWKUNHWSA-N -1 0 306.326 -0.475 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nnnn2[C@@H]2CCN(C)C2=O)C1 ZINC001589283985 953540325 /nfs/dbraw/zinc/54/03/25/953540325.db2.gz APOSZBSLDCVMMG-OPRDCNLKSA-N -1 0 308.342 -0.377 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCc1ccc(=O)[nH]n1)C2 ZINC001594769170 953550829 /nfs/dbraw/zinc/55/08/29/953550829.db2.gz SNDJCNUYKMPSTH-AMIZOPFISA-N -1 0 308.294 -0.575 20 0 DBADRM C[C@@H]1C[C@H](CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@H](C)O1 ZINC001589285867 953570418 /nfs/dbraw/zinc/57/04/18/953570418.db2.gz ICAUDLKWXJOZMC-LMLFDSFASA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@@H]1C[C@H](CO)CN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001589286021 953572996 /nfs/dbraw/zinc/57/29/96/953572996.db2.gz LEJAYZLIEGDPHW-WOPDTQHZSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CS1 ZINC001589290312 953595276 /nfs/dbraw/zinc/59/52/76/953595276.db2.gz RHMFFDIIINMRCB-IWSPIJDZSA-N -1 0 302.352 -0.691 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCc2nnc3n2CCCC3)C1 ZINC001594777505 953603201 /nfs/dbraw/zinc/60/32/01/953603201.db2.gz CVHRKIPTEDZFPA-SECBINFHSA-N -1 0 321.337 -0.836 20 0 DBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H]1C(=O)[O-] ZINC000384639143 971949032 /nfs/dbraw/zinc/94/90/32/971949032.db2.gz VPMMZKFFOBKGQP-DTWKUNHWSA-N -1 0 324.424 -0.267 20 0 DBADRM CCc1cnccc1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001593647295 953680022 /nfs/dbraw/zinc/68/00/22/953680022.db2.gz XELWXSBQBIOIJP-GFCCVEGCSA-N -1 0 321.333 -0.428 20 0 DBADRM CCc1cnccc1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001593647296 953680370 /nfs/dbraw/zinc/68/03/70/953680370.db2.gz XELWXSBQBIOIJP-LBPRGKRZSA-N -1 0 321.333 -0.428 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001594787093 953680568 /nfs/dbraw/zinc/68/05/68/953680568.db2.gz GTKJKCZPRAPJBC-WYUUTHIRSA-N -1 0 320.349 -0.214 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H](CCCO)C2)C1 ZINC001594789728 953686899 /nfs/dbraw/zinc/68/68/99/953686899.db2.gz CWADQANLGVPISC-TUAOUCFPSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1C[C@H](O)CC(F)(F)C1 ZINC001594792577 953696143 /nfs/dbraw/zinc/69/61/43/953696143.db2.gz NSZRHBUMKGCICK-GJMOJQLCSA-N -1 0 306.265 -0.806 20 0 DBADRM CCc1nnc([C@H](C)NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])[nH]1 ZINC001593649157 953698736 /nfs/dbraw/zinc/69/87/36/953698736.db2.gz VYPPEBBMGNELRK-YUMQZZPRSA-N -1 0 317.371 -0.189 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CC(F)(F)C[C@H]1CO ZINC001594792670 953698937 /nfs/dbraw/zinc/69/89/37/953698937.db2.gz XZDMOQPFWIZRPA-RNJXMRFFSA-N -1 0 306.265 -0.806 20 0 DBADRM CCc1nn(C)cc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001593653927 953729103 /nfs/dbraw/zinc/72/91/03/953729103.db2.gz UFOAWVMJUBBIOY-LLVKDONJSA-N -1 0 301.368 -0.334 20 0 DBADRM CCc1noc(C)c1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001593655872 953749747 /nfs/dbraw/zinc/74/97/47/953749747.db2.gz RNLJVFBJMATJOI-SECBINFHSA-N -1 0 316.335 -0.131 20 0 DBADRM O=C([O-])c1cc(NC(=O)c2cnn(C[C@@H](O)CO)c2)ccc1O ZINC001594806505 953783547 /nfs/dbraw/zinc/78/35/47/953783547.db2.gz FLFZKBVINLYLGI-SNVBAGLBSA-N -1 0 321.289 -0.108 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(n2)CCC3)CCO1 ZINC001594806746 953787841 /nfs/dbraw/zinc/78/78/41/953787841.db2.gz XTQNAJZMVYZCFC-NSHDSACASA-N -1 0 319.317 -0.179 20 0 DBADRM C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589310776 953792805 /nfs/dbraw/zinc/79/28/05/953792805.db2.gz ZTMWGNOBCYFIAM-BBBLOLIVSA-N -1 0 319.383 -0.634 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCN(CCO)CC1 ZINC001594810940 953818750 /nfs/dbraw/zinc/81/87/50/953818750.db2.gz OXUMQJLAFPSTEA-UHFFFAOYSA-N -1 0 321.333 -0.540 20 0 DBADRM CCn1cc(-c2nn(C)cc2C(=O)NC[C@@](C)(O)C(=O)[O-])cn1 ZINC001593664705 953819879 /nfs/dbraw/zinc/81/98/79/953819879.db2.gz JRZSJXXWBHSHDA-CQSZACIVSA-N -1 0 321.337 -0.131 20 0 DBADRM CCn1cc(CNC(=O)c2ccc(C(=O)[O-])cn2)c(=O)[nH]c1=O ZINC001593664965 953824898 /nfs/dbraw/zinc/82/48/98/953824898.db2.gz GGVZEDWKIVHUFS-UHFFFAOYSA-N -1 0 318.289 -0.008 20 0 DBADRM CCn1cc(C(=O)C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cn1 ZINC001593665018 953826712 /nfs/dbraw/zinc/82/67/12/953826712.db2.gz ONHHBVJFTPNCFI-HZMBPMFUSA-N -1 0 307.306 -0.355 20 0 DBADRM CCn1ccc(CNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC001593666338 953852281 /nfs/dbraw/zinc/85/22/81/953852281.db2.gz QNCNGWIQDUEUKD-CQSZACIVSA-N -1 0 308.338 -0.158 20 0 DBADRM CCn1cccc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001593667343 953858467 /nfs/dbraw/zinc/85/84/67/953858467.db2.gz BTQJYZYNRGSSIW-JTQLQIEISA-N -1 0 300.336 -0.168 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC001594816585 953866143 /nfs/dbraw/zinc/86/61/43/953866143.db2.gz MEYGYGRVUXTJDR-SQQOMWROSA-N -1 0 323.330 -0.550 20 0 DBADRM O=C([O-])c1cncc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC001594816775 953868028 /nfs/dbraw/zinc/86/80/28/953868028.db2.gz NXZWMOOXNUQDTN-LLVKDONJSA-N -1 0 322.321 -0.115 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N[C@H](CO)CC(F)F)c1 ZINC001594816878 953869750 /nfs/dbraw/zinc/86/97/50/953869750.db2.gz PRNDDIXRJUFJAK-QMMMGPOBSA-N -1 0 317.248 -0.149 20 0 DBADRM CCn1nc(C)c(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001593670791 953880251 /nfs/dbraw/zinc/88/02/51/953880251.db2.gz WNBFHERYFXBSHU-JTQLQIEISA-N -1 0 323.353 -0.198 20 0 DBADRM CCn1nc(C)c(C(=O)OCCc2cn(CC(=O)[O-])nn2)n1 ZINC001593670753 953880952 /nfs/dbraw/zinc/88/09/52/953880952.db2.gz SDPWFEQAVZAWQR-UHFFFAOYSA-N -1 0 308.298 -0.318 20 0 DBADRM CCn1nc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])cc1C1CC1 ZINC001593670862 953882613 /nfs/dbraw/zinc/88/26/13/953882613.db2.gz BYQWXGGPUXLPAG-AWEZNQCLSA-N -1 0 324.337 -0.329 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593673813 953896487 /nfs/dbraw/zinc/89/64/87/953896487.db2.gz DYBUFLBZZHBTOG-UHFFFAOYSA-N -1 0 318.293 -0.354 20 0 DBADRM C[C@H]1CCCN(C(=O)C2CN(S(C)(=O)=O)C2)[C@H]1C(=O)[O-] ZINC001589325195 953897587 /nfs/dbraw/zinc/89/75/87/953897587.db2.gz ADCWFMSSFKWOAN-WCBMZHEXSA-N -1 0 304.368 -0.411 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001593674571 953904633 /nfs/dbraw/zinc/90/46/33/953904633.db2.gz UZISGIWONCQVGR-CMPLNLGQSA-N -1 0 309.366 -0.385 20 0 DBADRM CCn1nccc1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593674514 953904880 /nfs/dbraw/zinc/90/48/80/953904880.db2.gz QNPMFSDUVOPMKX-JTQLQIEISA-N -1 0 302.356 -0.214 20 0 DBADRM CN(C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001593674578 953905269 /nfs/dbraw/zinc/90/52/69/953905269.db2.gz VFBDTHZUDIDPDF-JFGNBEQYSA-N -1 0 309.366 -0.339 20 0 DBADRM CN(C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)c1ccon1 ZINC001593675176 953915448 /nfs/dbraw/zinc/91/54/48/953915448.db2.gz NLCZMXGUCOJTPE-UHFFFAOYSA-N -1 0 302.308 -0.083 20 0 DBADRM O=C([O-])C(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC001594822772 953917422 /nfs/dbraw/zinc/91/74/22/953917422.db2.gz IMSCRPVFGXQILF-VIFPVBQESA-N -1 0 306.274 -0.373 20 0 DBADRM CN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)N1CCS(=O)(=O)CC1 ZINC001593676551 953934001 /nfs/dbraw/zinc/93/40/01/953934001.db2.gz QSOPDCRHUUKSKP-VIFPVBQESA-N -1 0 306.384 -0.163 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CCc3ncncc3C2)CC1 ZINC001594825633 953936982 /nfs/dbraw/zinc/93/69/82/953936982.db2.gz MBTVTKQNTBBBQV-SNVBAGLBSA-N -1 0 318.333 -0.663 20 0 DBADRM CN(C(=O)NCCOCCOCC(=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC001593680474 953945859 /nfs/dbraw/zinc/94/58/59/953945859.db2.gz BRPYKWQTOPNQBC-AOOOYVTPSA-N -1 0 317.342 -0.991 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]23CCOC3)C[C@H]1C(=O)[O-] ZINC001589332253 953951258 /nfs/dbraw/zinc/95/12/58/953951258.db2.gz DQSFDDZTKYJBRR-HFAKWTLXSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC001594828328 953956595 /nfs/dbraw/zinc/95/65/95/953956595.db2.gz VIANSUNKCFWJTC-UONOGXRCSA-N -1 0 322.361 -0.300 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 ZINC001594828356 953956669 /nfs/dbraw/zinc/95/66/69/953956669.db2.gz XITRSCCOHUQYBL-WFASDCNBSA-N -1 0 312.366 -0.057 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC001594828326 953956878 /nfs/dbraw/zinc/95/68/78/953956878.db2.gz VIANSUNKCFWJTC-KBPBESRZSA-N -1 0 322.361 -0.300 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2nnc(-c3ccco3)o2)CC1 ZINC001594828321 953956903 /nfs/dbraw/zinc/95/69/03/953956903.db2.gz UPCITNPZRAUEOS-UHFFFAOYSA-N -1 0 320.261 -0.301 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 ZINC001594828353 953957238 /nfs/dbraw/zinc/95/72/38/953957238.db2.gz XITRSCCOHUQYBL-DOMZBBRYSA-N -1 0 312.366 -0.057 20 0 DBADRM O=C([O-])C(=O)NC[C@]1(CO)COCCN1Cc1ccccc1 ZINC001594828661 953959148 /nfs/dbraw/zinc/95/91/48/953959148.db2.gz ZGXLXMPZCRJOQE-HNNXBMFYSA-N -1 0 308.334 -0.549 20 0 DBADRM CN(C(=O)c1cccn(CC(=O)[O-])c1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC001593684660 953986643 /nfs/dbraw/zinc/98/66/43/953986643.db2.gz RZJXGVSKGGIRIG-DTORHVGOSA-N -1 0 307.306 -0.731 20 0 DBADRM C[C@H]1CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C[C@@H]1O ZINC001589335163 953987746 /nfs/dbraw/zinc/98/77/46/953987746.db2.gz CPZARUUBKNVVQV-UWVGGRQHSA-N -1 0 319.379 -0.505 20 0 DBADRM C[C@@H]1CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCO1 ZINC001589335248 953989446 /nfs/dbraw/zinc/98/94/46/953989446.db2.gz DCQKVCCRHYOOHY-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM CN(C)C(=O)NCCNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001593686192 953989437 /nfs/dbraw/zinc/98/94/37/953989437.db2.gz CCYHEOOZTQUVRY-VHSXEESVSA-N -1 0 301.343 -0.356 20 0 DBADRM C[C@H]1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCS1(=O)=O ZINC001589335930 953992771 /nfs/dbraw/zinc/99/27/71/953992771.db2.gz HZDCXIRTUFIJFH-CBAPKCEASA-N -1 0 304.324 -0.749 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)c2cnc(C(=O)[O-])cn2)n1 ZINC001593687099 953996032 /nfs/dbraw/zinc/99/60/32/953996032.db2.gz MIABZDHAYGPCJO-UHFFFAOYSA-N -1 0 318.293 -0.288 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cn1 ZINC001593687559 953998583 /nfs/dbraw/zinc/99/85/83/953998583.db2.gz SWFIUFUJUHZXCP-KYZUINATSA-N -1 0 309.326 -0.044 20 0 DBADRM CN(C)C(=O)O[C@H]1CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001593687783 954001529 /nfs/dbraw/zinc/00/15/29/954001529.db2.gz YRIBBAAHWFNMCS-JTQLQIEISA-N -1 0 322.383 -0.352 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001593688405 954005048 /nfs/dbraw/zinc/00/50/48/954005048.db2.gz PTCHZKBGELKPQZ-VXGBXAGGSA-N -1 0 311.382 -0.234 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001593688595 954006939 /nfs/dbraw/zinc/00/69/39/954006939.db2.gz XPHWBHRIGZLGTB-PHIMTYICSA-N -1 0 312.370 -0.735 20 0 DBADRM CN(C)C(=O)c1c[nH]nc1NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001593689321 954016335 /nfs/dbraw/zinc/01/63/35/954016335.db2.gz XBXJYBPZMLDHAR-UHFFFAOYSA-N -1 0 307.270 -0.960 20 0 DBADRM C[C@H]1CCN(C(=O)NCCCc2nnnn2C)C[C@H]1C(=O)[O-] ZINC001589341349 954025177 /nfs/dbraw/zinc/02/51/77/954025177.db2.gz XGMIATSZOACIET-VHSXEESVSA-N -1 0 310.358 -0.105 20 0 DBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](N2C(=O)CNC2=O)C1=O ZINC001594843961 954111838 /nfs/dbraw/zinc/11/18/38/954111838.db2.gz QGFYCTTXGBNFNI-ZYHUDNBSSA-N -1 0 317.301 -0.035 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)C[C@@H]2CN(C)CCO2)C[C@@H]1C(=O)[O-] ZINC001589355227 954125399 /nfs/dbraw/zinc/12/53/99/954125399.db2.gz HEDOGAGPBBBHGL-WOPDTQHZSA-N -1 0 320.411 -0.311 20 0 DBADRM O=C([O-])C1(C(=O)N2CC3(C2)CCCO3)CCS(=O)(=O)CC1 ZINC001594844905 954130214 /nfs/dbraw/zinc/13/02/14/954130214.db2.gz GZBSAWFSNUJANE-UHFFFAOYSA-N -1 0 317.363 -0.343 20 0 DBADRM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)CSCC(=O)[O-])C1 ZINC001593704739 954148977 /nfs/dbraw/zinc/14/89/77/954148977.db2.gz ZRPKHSYBPGBRBY-VIFPVBQESA-N -1 0 324.424 -0.313 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])co1 ZINC001593707908 954155944 /nfs/dbraw/zinc/15/59/44/954155944.db2.gz CMNJSSJWTARGMJ-LLVKDONJSA-N -1 0 320.323 -0.905 20 0 DBADRM C[C@@H]1CCN(c2nnc(CS(C)(=O)=O)n2C)C[C@@H]1C(=O)[O-] ZINC001589362595 954162139 /nfs/dbraw/zinc/16/21/39/954162139.db2.gz QAUDKNWHMIBFBQ-BDAKNGLRSA-N -1 0 316.383 -0.093 20 0 DBADRM O=C([O-])C1(C(=O)N2CCO[C@@H](CN3CCOCC3)C2)CC=CC1 ZINC001594848792 954163178 /nfs/dbraw/zinc/16/31/78/954163178.db2.gz BQOBMRARJPGGGN-ZDUSSCGKSA-N -1 0 324.377 -0.033 20 0 DBADRM CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC001593708782 954167420 /nfs/dbraw/zinc/16/74/20/954167420.db2.gz AFLFPCIKEGUEDI-LLVKDONJSA-N -1 0 320.349 -0.303 20 0 DBADRM CN(C)c1ccc(CNC(=O)c2cn(CC(=O)[O-])nn2)cn1 ZINC001593709175 954174663 /nfs/dbraw/zinc/17/46/63/954174663.db2.gz ZVOUUHIRPPPNDV-UHFFFAOYSA-N -1 0 304.310 -0.246 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N(CCO)CCCO)c1 ZINC000385292508 971993419 /nfs/dbraw/zinc/99/34/19/971993419.db2.gz GJPWVJKAFJINHB-UHFFFAOYSA-N -1 0 321.326 -0.111 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@]1(C)CO ZINC001589365887 954192446 /nfs/dbraw/zinc/19/24/46/954192446.db2.gz AFXKIEHQHCXAAZ-YMTOWFKASA-N -1 0 324.337 -0.617 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)[O-])CCN1C(=O)C(=O)OC(C)(C)C ZINC001589366095 954195958 /nfs/dbraw/zinc/19/59/58/954195958.db2.gz HELYCDFHNHNCTB-MRVPVSSYSA-N -1 0 300.311 -0.528 20 0 DBADRM O=C([O-])[C@]1(C(=O)N[C@@H](CO)CN2CCOCC2)CC=CCC1 ZINC001594851573 954196147 /nfs/dbraw/zinc/19/61/47/954196147.db2.gz APVWISFRMIJELM-IUODEOHRSA-N -1 0 312.366 -0.393 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)[O-])CCN1C(=O)C(=O)OC(C)(C)C ZINC001589366096 954196372 /nfs/dbraw/zinc/19/63/72/954196372.db2.gz HELYCDFHNHNCTB-QMMMGPOBSA-N -1 0 300.311 -0.528 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC(=O)N1 ZINC001589366177 954197422 /nfs/dbraw/zinc/19/74/22/954197422.db2.gz JXFGYNOPXPDDQK-SECBINFHSA-N -1 0 319.317 -0.401 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CC[C@H]1O ZINC001589366704 954202506 /nfs/dbraw/zinc/20/25/06/954202506.db2.gz QORHHDFWUZCVQM-GZMMTYOYSA-N -1 0 307.306 -0.052 20 0 DBADRM O=C([O-])[C@]1(C(=O)N[C@H](CO)[C@@H](O)c2cccnc2)CCCO1 ZINC001594852336 954205147 /nfs/dbraw/zinc/20/51/47/954205147.db2.gz UCGYVUMTBPSIRV-UHIISALHSA-N -1 0 310.306 -0.774 20 0 DBADRM CN(C)c1nc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])ns1 ZINC001593715144 954207691 /nfs/dbraw/zinc/20/76/91/954207691.db2.gz HSZFAOZBXIBFAR-ZETCQYMHSA-N -1 0 320.396 -0.712 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])[C@H](C)[C@H](C)O1 ZINC001589367767 954208683 /nfs/dbraw/zinc/20/86/83/954208683.db2.gz ZLWLUBIRMXPSPN-BBBLOLIVSA-N -1 0 302.327 -0.772 20 0 DBADRM CN(C1(CO)CCC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001593716612 954226529 /nfs/dbraw/zinc/22/65/29/954226529.db2.gz CIMLDONWUAYRMU-UHFFFAOYSA-N -1 0 306.384 -0.125 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CCS(=O)(=O)C1 ZINC001589373759 954230592 /nfs/dbraw/zinc/23/05/92/954230592.db2.gz XBOBVFBLBSUZEO-VXNVDRBHSA-N -1 0 304.324 -0.891 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@]2(CO)COCCN2)CCCCCC1 ZINC001594856017 954233923 /nfs/dbraw/zinc/23/39/23/954233923.db2.gz FHWKELILJNOCBZ-AWEZNQCLSA-N -1 0 314.382 -0.121 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)CCCCC1 ZINC001594856065 954235156 /nfs/dbraw/zinc/23/51/56/954235156.db2.gz GRDFJPAWQIVDQE-GFCCVEGCSA-N -1 0 319.379 -0.313 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@]2(OCCO)CCOC2)CCOCC1 ZINC001594856089 954235321 /nfs/dbraw/zinc/23/53/21/954235321.db2.gz HVQQDPCRVXUAKF-ZDUSSCGKSA-N -1 0 317.338 -0.848 20 0 DBADRM CN(CC(=O)NCc1ccccc1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001593719041 954239553 /nfs/dbraw/zinc/23/95/53/954239553.db2.gz JLENECFWKQNTAY-CYBMUJFWSA-N -1 0 319.361 -0.080 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CC[C@@H]1C(=O)[O-] ZINC001589375728 954252866 /nfs/dbraw/zinc/25/28/66/954252866.db2.gz OJWQUJDDRJKFEE-QWRGUYRKSA-N -1 0 318.395 -0.714 20 0 DBADRM CN(CC(=O)[O-])Cc1cn(C[C@H]2CCS(=O)(=O)C2)nn1 ZINC001593722368 954258977 /nfs/dbraw/zinc/25/89/77/954258977.db2.gz CQHSIYOOLKXLOR-SECBINFHSA-N -1 0 302.356 -0.771 20 0 DBADRM CN(CC(=O)[O-])c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001593723599 954265660 /nfs/dbraw/zinc/26/56/60/954265660.db2.gz VEEZWEZFPJPBMY-UHFFFAOYSA-N -1 0 315.351 -0.377 20 0 DBADRM CN(CC1(C)COC1)C(=O)NCCOCCOCC(=O)[O-] ZINC001593726737 954279879 /nfs/dbraw/zinc/27/98/79/954279879.db2.gz IBFSTXXZEBANIC-UHFFFAOYSA-N -1 0 304.343 -0.218 20 0 DBADRM C[C@H]1CN(C(=O)NCc2cn(C)c(=O)[nH]c2=O)CC[C@H]1C(=O)[O-] ZINC001589382610 954288056 /nfs/dbraw/zinc/28/80/56/954288056.db2.gz HRZJGUVZNVBWEK-WCBMZHEXSA-N -1 0 324.337 -0.262 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001593727476 954289406 /nfs/dbraw/zinc/28/94/06/954289406.db2.gz FNHXTBKJVZUMLC-GFCCVEGCSA-N -1 0 323.349 -0.455 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC001593727602 954291176 /nfs/dbraw/zinc/29/11/76/954291176.db2.gz KBBUOFGPRVWDQJ-TUAOUCFPSA-N -1 0 300.355 -0.751 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593727722 954292785 /nfs/dbraw/zinc/29/27/85/954292785.db2.gz MGSXGDBXONPLOZ-SRVKXCTJSA-N -1 0 315.370 -0.816 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)Cc1nnc2ccccn21 ZINC001593728189 954297602 /nfs/dbraw/zinc/29/76/02/954297602.db2.gz BQCASYJGYDNRAY-UHFFFAOYSA-N -1 0 319.321 -0.379 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001593728206 954298417 /nfs/dbraw/zinc/29/84/17/954298417.db2.gz CPWLBOZRYKGNNZ-CABZTGNLSA-N -1 0 305.352 -0.487 20 0 DBADRM CN(C[C@H]1CCCCO1)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593729723 954310784 /nfs/dbraw/zinc/31/07/84/954310784.db2.gz MQBUMJJIJWGNEF-SNVBAGLBSA-N -1 0 324.337 -0.066 20 0 DBADRM CN(C[C@@H]1CCOC1)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593729972 954311811 /nfs/dbraw/zinc/31/18/11/954311811.db2.gz RHEBHTLDKNGYQI-JTQLQIEISA-N -1 0 319.379 -0.239 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCC1([S@@](C)=O)CCC1 ZINC001593731146 954318400 /nfs/dbraw/zinc/31/84/00/954318400.db2.gz GQLGDTZXSYLUQA-HXUWFJFHSA-N -1 0 304.368 -0.663 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccc(CCC(N)=O)cc1 ZINC001593731816 954321981 /nfs/dbraw/zinc/32/19/81/954321981.db2.gz VNMGWHJWAUCIGS-UHFFFAOYSA-N -1 0 321.333 -0.024 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC001593731975 954323331 /nfs/dbraw/zinc/32/33/31/954323331.db2.gz ZURRTLJHHXUUKS-UHFFFAOYSA-N -1 0 318.293 -0.466 20 0 DBADRM CN(CCC(=O)[O-])C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC001593733235 954328711 /nfs/dbraw/zinc/32/87/11/954328711.db2.gz UYXAMMUXVUDZNP-UHFFFAOYSA-N -1 0 317.342 -0.440 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001593734757 954331123 /nfs/dbraw/zinc/33/11/23/954331123.db2.gz CDRGGEXQHJLDQS-LBPRGKRZSA-N -1 0 301.299 -0.676 20 0 DBADRM CN(CCC(=O)[O-])C(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1 ZINC001593737020 954344858 /nfs/dbraw/zinc/34/48/58/954344858.db2.gz LPYFCWBQXZBZFQ-UHFFFAOYSA-N -1 0 319.339 -0.104 20 0 DBADRM CN(CCC(N)=O)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001593742301 954363182 /nfs/dbraw/zinc/36/31/82/954363182.db2.gz ZOJBBICZOAIYLR-XIRUVYRFSA-N -1 0 313.354 -0.084 20 0 DBADRM C[C@@H]1CN(CN2C[C@H](C(=O)[O-])CC2=O)C[C@H](C)S1(=O)=O ZINC001589399336 954401735 /nfs/dbraw/zinc/40/17/35/954401735.db2.gz PLHMRFGUAFLAEJ-KXUCPTDWSA-N -1 0 304.368 -0.616 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)C1(CC(=O)[O-])CCOCC1 ZINC001593750848 954405850 /nfs/dbraw/zinc/40/58/50/954405850.db2.gz JIACHEXHRWRMQO-UHFFFAOYSA-N -1 0 322.383 -0.735 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001593750954 954408014 /nfs/dbraw/zinc/40/80/14/954408014.db2.gz MQNXTNWQCQWMBO-NXEZZACHSA-N -1 0 322.383 -0.736 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)Cc2ccno2)CCOCC1 ZINC001594880243 954421970 /nfs/dbraw/zinc/42/19/70/954421970.db2.gz CNPVBBWJCMBYHU-UHFFFAOYSA-N -1 0 304.324 -0.025 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)CCn2cccn2)CCOCC1 ZINC001594880343 954424487 /nfs/dbraw/zinc/42/44/87/954424487.db2.gz XYDMAFSYPGNOBW-UHFFFAOYSA-N -1 0 317.367 -0.316 20 0 DBADRM CN(CCO)S(=O)(=O)c1ccc(C(=O)OCC(=O)[O-])cc1 ZINC001593753785 954431193 /nfs/dbraw/zinc/43/11/93/954431193.db2.gz KONREAUUAOFVKM-UHFFFAOYSA-N -1 0 317.319 -0.459 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593755314 954446301 /nfs/dbraw/zinc/44/63/01/954446301.db2.gz FUGWKJNSRKOQRG-UHFFFAOYSA-N -1 0 316.335 -0.951 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C1 ZINC001594884936 954454013 /nfs/dbraw/zinc/45/40/13/954454013.db2.gz AZDRQGCGKOKCFK-PWSUYJOCSA-N -1 0 323.349 -0.019 20 0 DBADRM CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001593756672 954456326 /nfs/dbraw/zinc/45/63/26/954456326.db2.gz BLXMAZRZGUDPTC-WCQGTBRESA-N -1 0 312.366 -0.167 20 0 DBADRM CN(Cc1c(C(=O)[O-])cnn1C)C[C@H]1CCS(=O)(=O)C1 ZINC001593756646 954456515 /nfs/dbraw/zinc/45/65/15/954456515.db2.gz AVXIWEKHKNDZEZ-SECBINFHSA-N -1 0 301.368 -0.015 20 0 DBADRM CN(Cc1c[nH]cn1)C(=O)NCCOCCOCC(=O)[O-] ZINC001593756754 954459372 /nfs/dbraw/zinc/45/93/72/954459372.db2.gz FFVCWDPPAWZLDL-UHFFFAOYSA-N -1 0 300.315 -0.331 20 0 DBADRM C[C@@H]1CN(c2nnc([C@@H]3CNC(=O)C3)n2C)CC[C@H]1C(=O)[O-] ZINC001589405249 954460654 /nfs/dbraw/zinc/46/06/54/954460654.db2.gz BCYIEVSBYMYOKO-KXUCPTDWSA-N -1 0 307.354 -0.034 20 0 DBADRM CN(Cc1ccc(C(N)=O)cc1)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001593759301 954468222 /nfs/dbraw/zinc/46/82/22/954468222.db2.gz BOQYMNLSILEYTA-UHFFFAOYSA-N -1 0 317.305 -0.266 20 0 DBADRM C[C@@H]1COC[C@@H]1NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589408110 954482761 /nfs/dbraw/zinc/48/27/61/954482761.db2.gz FCESBLLPFYQONZ-VWYCJHECSA-N -1 0 313.354 -0.214 20 0 DBADRM C[C@@H]1COCC[C@@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589408719 954494360 /nfs/dbraw/zinc/49/43/60/954494360.db2.gz MTCUMWJFYIUXDZ-BDAKNGLRSA-N -1 0 310.310 -0.553 20 0 DBADRM C[C@H]1COCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589408947 954498373 /nfs/dbraw/zinc/49/83/73/954498373.db2.gz POZNFPRNZVEUDJ-UWVGGRQHSA-N -1 0 324.337 -0.305 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c2c1CCC2)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485322395 1013124542 /nfs/dbraw/zinc/12/45/42/1013124542.db2.gz ASPZCPHTGNCWCH-MRVPVSSYSA-N -1 0 319.369 -0.028 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)C1 ZINC001594889563 954503644 /nfs/dbraw/zinc/50/36/44/954503644.db2.gz IFUAPYGQIZCNPH-GUBZILKMSA-N -1 0 316.335 -0.606 20 0 DBADRM CN(Cc1nccn1C)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001593764764 954506116 /nfs/dbraw/zinc/50/61/16/954506116.db2.gz ATNWACVXWUHOMN-AWEZNQCLSA-N -1 0 308.338 -0.298 20 0 DBADRM CN(Cc1nncn1C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593764782 954506142 /nfs/dbraw/zinc/50/61/42/954506142.db2.gz CQKMUHOAONLLMP-SECBINFHSA-N -1 0 309.326 -0.903 20 0 DBADRM CN(Cc1ccon1)C(=O)NCCOCCOCC(=O)[O-] ZINC001593764870 954507449 /nfs/dbraw/zinc/50/74/49/954507449.db2.gz ZLDRXQKXVDSVSY-UHFFFAOYSA-N -1 0 301.299 -0.066 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCCCOC[C@H]2CCCO2)C1 ZINC001594890533 954517469 /nfs/dbraw/zinc/51/74/69/954517469.db2.gz JBDUXBIXDWTGNS-MWLCHTKSSA-N -1 0 300.311 -0.082 20 0 DBADRM COCC[C@@H](NC(=O)c1ccc(=O)n(CCOC)n1)C(=O)[O-] ZINC000385900854 972021218 /nfs/dbraw/zinc/02/12/18/972021218.db2.gz RNZQXLPWYGRELV-SNVBAGLBSA-N -1 0 313.310 -0.891 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NC[C@H](O)COc2ccccc2)C1 ZINC001594892015 954540519 /nfs/dbraw/zinc/54/05/19/954540519.db2.gz PWNXAEKJJJLPQZ-CABZTGNLSA-N -1 0 308.290 -0.228 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593771624 954542031 /nfs/dbraw/zinc/54/20/31/954542031.db2.gz FKAGRQDFQTZOQF-UKXMAODDSA-N -1 0 312.347 -0.407 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@@H](CO)[C@@H](O)C2CCCCC2)C1 ZINC001594892088 954542776 /nfs/dbraw/zinc/54/27/76/954542776.db2.gz PNRTYJNWRAKVEH-SRVKXCTJSA-N -1 0 314.338 -0.366 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCCS(=O)(=O)C(F)(F)F)C1 ZINC001594892316 954545360 /nfs/dbraw/zinc/54/53/60/954545360.db2.gz SHIHDYLQZIHYKM-RXMQYKEDSA-N -1 0 318.229 -0.733 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCC[S@](=O)CC(F)(F)F)C1 ZINC001594892391 954545444 /nfs/dbraw/zinc/54/54/44/954545444.db2.gz TYCKBFXULAXCDD-ZFFJSCCISA-N -1 0 316.257 -0.357 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCC[S@@](=O)CC(F)(F)F)C1 ZINC001594892382 954545570 /nfs/dbraw/zinc/54/55/70/954545570.db2.gz TYCKBFXULAXCDD-PXKKQCTMSA-N -1 0 316.257 -0.357 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCCNC(=O)c2ccccc2)C1 ZINC001594892743 954547748 /nfs/dbraw/zinc/54/77/48/954547748.db2.gz UWLBWGGZIBGJGP-NSHDSACASA-N -1 0 305.290 -0.238 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C1 ZINC001594892768 954548237 /nfs/dbraw/zinc/54/82/37/954548237.db2.gz VEMRKKXDLPKVPG-WHFBIAKZSA-N -1 0 320.170 -0.109 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@H]2COc3ccccc3C2=O)C1 ZINC001594893092 954552670 /nfs/dbraw/zinc/55/26/70/954552670.db2.gz XZGWEZWFYQKIHM-GXSJLCMTSA-N -1 0 304.258 -0.024 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CC1=O ZINC001593772638 954553422 /nfs/dbraw/zinc/55/34/22/954553422.db2.gz NSRJCQFUTUVCMN-RTBKNWGFSA-N -1 0 311.338 -0.907 20 0 DBADRM CN1C[C@H](C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1=O ZINC001593772492 954554340 /nfs/dbraw/zinc/55/43/40/954554340.db2.gz LTMXZVFRZXKVBI-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H]1OCC[C@@H]1S(=O)(=O)NCCOCCOCC(=O)[O-] ZINC001589417141 954562132 /nfs/dbraw/zinc/56/21/32/954562132.db2.gz NJKFPRBXPIDSJV-ZJUUUORDSA-N -1 0 311.356 -0.799 20 0 DBADRM C[C@H]1OCC[C@H]1N(CCO)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589417999 954572812 /nfs/dbraw/zinc/57/28/12/954572812.db2.gz YYZYQWQWEHHXPI-NXEZZACHSA-N -1 0 312.326 -0.029 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)C[C@H]2C1=O ZINC001593774182 954578072 /nfs/dbraw/zinc/57/80/72/954578072.db2.gz OBPIQHWPTCAJFZ-QCLAVDOMSA-N -1 0 309.322 -0.504 20 0 DBADRM C[C@H]1c2cccn2CCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001589418719 954580671 /nfs/dbraw/zinc/58/06/71/954580671.db2.gz XRWMFYAMRWPVQL-CMPLNLGQSA-N -1 0 321.333 -0.297 20 0 DBADRM C[C@@H]1c2nncn2CCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589418701 954580709 /nfs/dbraw/zinc/58/07/09/954580709.db2.gz WZHGSFBVPSXCCG-NXEZZACHSA-N -1 0 321.337 -0.496 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CC[C@@H](Nc3ncccn3)C2)C1 ZINC001594897989 954586816 /nfs/dbraw/zinc/58/68/16/954586816.db2.gz DQQAPIRUIIBUDQ-WDEREUQCSA-N -1 0 305.338 -0.147 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(c3nccc(CO)n3)CC2)C1 ZINC001594898011 954586938 /nfs/dbraw/zinc/58/69/38/954586938.db2.gz FGZQIYHUXSTRFB-SNVBAGLBSA-N -1 0 320.349 -0.129 20 0 DBADRM CN1C[C@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)CCC1=O ZINC001593774661 954588149 /nfs/dbraw/zinc/58/81/49/954588149.db2.gz SBNJXQVNOPWTTL-SECBINFHSA-N -1 0 307.306 -0.717 20 0 DBADRM CN1CC[C@@H](C(=O)OCC2(C(=O)[O-])CCOCC2)S1(=O)=O ZINC001593774824 954591181 /nfs/dbraw/zinc/59/11/81/954591181.db2.gz UZZZSKPWCHCKEE-VIFPVBQESA-N -1 0 321.351 -0.555 20 0 DBADRM CN1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593777601 954607667 /nfs/dbraw/zinc/60/76/67/954607667.db2.gz BPIJMQDJGMEGJQ-GFCCVEGCSA-N -1 0 305.334 -0.179 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC001589425541 954614682 /nfs/dbraw/zinc/61/46/82/954614682.db2.gz GSVUERPUIIONGG-FIXISWKDSA-N -1 0 310.350 -0.196 20 0 DBADRM CN1CC[C@H]1CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001593778285 954616692 /nfs/dbraw/zinc/61/66/92/954616692.db2.gz SPGMKZCVHBFHAJ-SDDRHHMPSA-N -1 0 309.366 -0.624 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])C1 ZINC001589426007 954619732 /nfs/dbraw/zinc/61/97/32/954619732.db2.gz ZKWCCJJCCQPLRA-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)C1(C(=O)[O-])CC=CC1 ZINC001593781137 954664189 /nfs/dbraw/zinc/66/41/89/954664189.db2.gz HRDZPEDWSUPCPQ-UHFFFAOYSA-N -1 0 309.366 -0.360 20 0 DBADRM CN1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C[C@@H]1CO ZINC001593781335 954669099 /nfs/dbraw/zinc/66/90/99/954669099.db2.gz USBSYSZYHRBWKN-GFCCVEGCSA-N -1 0 308.334 -0.102 20 0 DBADRM CN1CCCC[C@H](C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1=O ZINC001593781492 954672902 /nfs/dbraw/zinc/67/29/02/954672902.db2.gz SDFAEQGTCHGXLI-PGUXBMHVSA-N -1 0 310.350 -0.196 20 0 DBADRM CN1CN(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)CC1=O ZINC001593786962 954712200 /nfs/dbraw/zinc/71/22/00/954712200.db2.gz SMHBNGFBEOOESQ-OPASDULOSA-N -1 0 311.338 -0.160 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001593787470 954724313 /nfs/dbraw/zinc/72/43/13/954724313.db2.gz KYDOZFPUVJUSSR-SDDRHHMPSA-N -1 0 300.355 -0.297 20 0 DBADRM O=C([O-])C1CCN(C(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)CC1 ZINC001594914313 954726433 /nfs/dbraw/zinc/72/64/33/954726433.db2.gz BBHDTDPNCGPUQV-NEPJUHHUSA-N -1 0 320.349 -0.261 20 0 DBADRM CN1N=C(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CCC1=O ZINC001593787856 954730669 /nfs/dbraw/zinc/73/06/69/954730669.db2.gz CUWZKWYTIZYIRW-JTQLQIEISA-N -1 0 324.337 -0.824 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001589442717 954733288 /nfs/dbraw/zinc/73/32/88/954733288.db2.gz MHYWBUFQIOEGOC-GJEGPGMTSA-N -1 0 301.390 -0.399 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CO)CCC[C@@H]23)C1 ZINC001594914885 954736206 /nfs/dbraw/zinc/73/62/06/954736206.db2.gz ADHQDLXVLZILMU-UEKVPHQBSA-N -1 0 310.350 -0.317 20 0 DBADRM CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593788331 954739806 /nfs/dbraw/zinc/73/98/06/954739806.db2.gz ATKPZKBSUHCLDL-NXEZZACHSA-N -1 0 313.354 -0.850 20 0 DBADRM CNC(=O)C1(C(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)CCC1 ZINC001593788610 954744072 /nfs/dbraw/zinc/74/40/72/954744072.db2.gz JMFSGYMIIFKQIF-AWEZNQCLSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCC(CCCO)CC2)C1 ZINC001594915539 954745432 /nfs/dbraw/zinc/74/54/32/954745432.db2.gz DNHRAZSLZQHYMX-LBPRGKRZSA-N -1 0 312.366 -0.069 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593788757 954747438 /nfs/dbraw/zinc/74/74/38/954747438.db2.gz XEPLQNBYYFIASJ-SSDOTTSWSA-N -1 0 305.298 -0.869 20 0 DBADRM CNC(=O)CC1CCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC001593791257 954758696 /nfs/dbraw/zinc/75/86/96/954758696.db2.gz UVYLGAIWLINNHE-UHFFFAOYSA-N -1 0 309.326 -0.649 20 0 DBADRM CNC(=O)C1(NC(=O)c2cccn(CC(=O)[O-])c2=O)CCCC1 ZINC001593791584 954760213 /nfs/dbraw/zinc/76/02/13/954760213.db2.gz DVKTUAJJLRRPHF-UHFFFAOYSA-N -1 0 321.333 -0.279 20 0 DBADRM CNC(=O)CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001593791583 954760855 /nfs/dbraw/zinc/76/08/55/954760855.db2.gz DQFFIHDNOWYDQW-ZJUUUORDSA-N -1 0 308.338 -0.427 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CCO1 ZINC001593792011 954764838 /nfs/dbraw/zinc/76/48/38/954764838.db2.gz PXZOBJRUYKLBBL-DCAQKATOSA-N -1 0 314.338 -0.770 20 0 DBADRM CNC(=O)COc1cccc(CC(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001593792763 954768768 /nfs/dbraw/zinc/76/87/68/954768768.db2.gz BSKFLWUSZXHRKU-HNNXBMFYSA-N -1 0 324.333 -0.694 20 0 DBADRM O=C([O-])[C@@H]1CCCN1Cc1cn(CCN2CCCC2=O)nn1 ZINC001594917307 954769564 /nfs/dbraw/zinc/76/95/64/954769564.db2.gz QZQBGCQYQFGPIC-LBPRGKRZSA-N -1 0 307.354 -0.051 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)c2ncccc2C(=O)[O-])n1 ZINC001593793038 954774672 /nfs/dbraw/zinc/77/46/72/954774672.db2.gz HXWYNBWLIJYONP-UHFFFAOYSA-N -1 0 320.261 -0.192 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC001593793126 954776378 /nfs/dbraw/zinc/77/63/78/954776378.db2.gz HLFBKRCGANJWNG-SECBINFHSA-N -1 0 300.359 -0.783 20 0 DBADRM O=C([O-])[C@H]1CCCN1Cc1cn(CCN2CCOCC2)nn1 ZINC001594918032 954778545 /nfs/dbraw/zinc/77/85/45/954778545.db2.gz YAQGYEFPMNWMDL-CYBMUJFWSA-N -1 0 309.370 -0.341 20 0 DBADRM O=C([O-])[C@H]1CCCN1Cc1cn(C[C@@]2(O)CCCOC2)nn1 ZINC001594918078 954779913 /nfs/dbraw/zinc/77/99/13/954779913.db2.gz ZVCWTFXEGQJHAY-OCCSQVGLSA-N -1 0 310.354 -0.131 20 0 DBADRM CC[C@](C)(CO)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589450315 954792657 /nfs/dbraw/zinc/79/26/57/954792657.db2.gz BPZKCRXEMSGFKF-QMTHXVAHSA-N -1 0 300.355 -0.023 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001593794271 954794217 /nfs/dbraw/zinc/79/42/17/954794217.db2.gz IJTOPEVIJSVZAO-VHSXEESVSA-N -1 0 310.354 -0.070 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)[C@H](C(=O)[O-])C(C)C)CCO1 ZINC001593794513 954796209 /nfs/dbraw/zinc/79/62/09/954796209.db2.gz AYJKWECIZPEPHO-NXEZZACHSA-N -1 0 301.343 -0.500 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)NC[C@]23COC(=O)N2CCOC3)C1 ZINC001594923796 954803050 /nfs/dbraw/zinc/80/30/50/954803050.db2.gz GKNCUSUCCOUJGB-RNCFNFMXSA-N -1 0 313.310 -0.676 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@@H](CO)C1CCCC1 ZINC000386292789 972043060 /nfs/dbraw/zinc/04/30/60/972043060.db2.gz UBYCTBZQDKTZMW-VIFPVBQESA-N -1 0 303.340 -0.063 20 0 DBADRM CNC(=O)c1cccnc1N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001593797649 954822454 /nfs/dbraw/zinc/82/24/54/954822454.db2.gz VLCJIVZGQRGIIM-AWEZNQCLSA-N -1 0 309.322 -0.252 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001593798341 954831742 /nfs/dbraw/zinc/83/17/42/954831742.db2.gz UQOVXXMBNWNBBL-IVZWLZJFSA-N -1 0 304.368 -0.363 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)[C@](C)(OC)C(=O)[O-])CC1 ZINC001593798363 954833109 /nfs/dbraw/zinc/83/31/09/954833109.db2.gz VFAUCKJIZSAYNF-NSHDSACASA-N -1 0 308.356 -0.984 20 0 DBADRM CNS(=O)(=O)CCCOC(=O)c1cnc(C(=O)[O-])cn1 ZINC001593798510 954834142 /nfs/dbraw/zinc/83/41/42/954834142.db2.gz YGURFBJJKBSMAV-UHFFFAOYSA-N -1 0 303.296 -0.729 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)OCCCC(=O)[O-])CC1 ZINC001593798552 954836137 /nfs/dbraw/zinc/83/61/37/954836137.db2.gz YVTRLKAHRIBDAF-UHFFFAOYSA-N -1 0 308.356 -0.429 20 0 DBADRM CNC(=O)c1ccc(NC(=O)c2cnc(C(=O)[O-])cn2)nn1 ZINC001593798796 954840260 /nfs/dbraw/zinc/84/02/60/954840260.db2.gz YKPRPFAGSIWTPX-UHFFFAOYSA-N -1 0 302.250 -0.423 20 0 DBADRM CNS(=O)(=O)N1CCN(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC001593798946 954842890 /nfs/dbraw/zinc/84/28/90/954842890.db2.gz IYYUBOQEUCNDPF-UHFFFAOYSA-N -1 0 320.396 -0.264 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)co1 ZINC001593798919 954843853 /nfs/dbraw/zinc/84/38/53/954843853.db2.gz HSYTZUOOGPFTJV-WRXNHJIOSA-N -1 0 302.308 -0.219 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC001594934815 954847428 /nfs/dbraw/zinc/84/74/28/954847428.db2.gz AVEKJQQXTSZUQG-CMPLNLGQSA-N -1 0 304.368 -0.658 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)OCC(=O)C(=O)[O-])c1 ZINC001593801356 954851342 /nfs/dbraw/zinc/85/13/42/954851342.db2.gz PCJBKBANALSMMR-UHFFFAOYSA-N -1 0 301.276 -0.595 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N(C2CC2)C2COC2)CC1 ZINC001594935439 954854941 /nfs/dbraw/zinc/85/49/41/954854941.db2.gz UJJPMWQSBZSVRE-UHFFFAOYSA-N -1 0 304.368 -0.109 20 0 DBADRM CNS(=O)(=O)c1ccc(CC(=O)N2CC(C(=O)[O-])C2)cc1 ZINC001593802474 954857890 /nfs/dbraw/zinc/85/78/90/954857890.db2.gz YLAPGHUPQMWALP-UHFFFAOYSA-N -1 0 312.347 -0.320 20 0 DBADRM CC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589459271 954859242 /nfs/dbraw/zinc/85/92/42/954859242.db2.gz ZLYUTULNGWALGM-BBBLOLIVSA-N -1 0 321.399 -0.327 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2CCCN2CCCC2=O)C1 ZINC001594940503 954881228 /nfs/dbraw/zinc/88/12/28/954881228.db2.gz HSWQOGREFCEGKU-SNVBAGLBSA-N -1 0 308.342 -0.404 20 0 DBADRM O=C([O-])[C@H]1CCN(c2nnnn2CCCN2CCCC2=O)C1 ZINC001594940502 954881397 /nfs/dbraw/zinc/88/13/97/954881397.db2.gz HSWQOGREFCEGKU-JTQLQIEISA-N -1 0 308.342 -0.404 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2[C@H]2C[C@H]3CCCCN3C2=O)C1 ZINC001594940750 954885422 /nfs/dbraw/zinc/88/54/22/954885422.db2.gz NWDSBNLETXIKNX-MXWKQRLJSA-N -1 0 320.353 -0.090 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCCSCC2)CCO1 ZINC001594940997 954890350 /nfs/dbraw/zinc/89/03/50/954890350.db2.gz UQSNVIGJKNEHEC-VIFPVBQESA-N -1 0 302.352 -0.736 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001593806892 954912758 /nfs/dbraw/zinc/91/27/58/954912758.db2.gz MRBQUWWAKYUPQW-CLAHSXSESA-N -1 0 315.322 -0.092 20 0 DBADRM COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC001593808211 954917914 /nfs/dbraw/zinc/91/79/14/954917914.db2.gz SZUUUZIVZFLMJJ-GHMZBOCLSA-N -1 0 316.354 -0.524 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)CCO1 ZINC001594946782 954918768 /nfs/dbraw/zinc/91/87/68/954918768.db2.gz YCRCORJAISUMAQ-ZNSHCXBVSA-N -1 0 300.311 -0.715 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC001594947350 954922295 /nfs/dbraw/zinc/92/22/95/954922295.db2.gz NTQOUTSKKZXBQO-NXEZZACHSA-N -1 0 320.367 -0.694 20 0 DBADRM COC(=O)[C@H](N[C@H]1CCN(CC(=O)[O-])C1=O)C1CCOCC1 ZINC001593810370 954930298 /nfs/dbraw/zinc/93/02/98/954930298.db2.gz DKBCCUCZKZGPHE-CMPLNLGQSA-N -1 0 314.338 -0.770 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC001589473721 954939058 /nfs/dbraw/zinc/93/90/58/954939058.db2.gz JFHJTRJNMHHNDU-UHFFFAOYSA-N -1 0 321.399 -0.516 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)NCCc1nnc2c(=O)[nH]ccn12 ZINC001589474094 954944026 /nfs/dbraw/zinc/94/40/26/954944026.db2.gz NETCQUOFFDEBGX-UHFFFAOYSA-N -1 0 321.337 -0.033 20 0 DBADRM COC(=O)[C@@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1cccnc1 ZINC001593811655 954947104 /nfs/dbraw/zinc/94/71/04/954947104.db2.gz SEXJOZQODMXUCT-ZJUUUORDSA-N -1 0 307.262 -0.359 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccnc(N3CCOCC3)n2)CCO1 ZINC001594951363 954952714 /nfs/dbraw/zinc/95/27/14/954952714.db2.gz QETBULZKLXCUDW-LLVKDONJSA-N -1 0 322.321 -0.761 20 0 DBADRM COC(=O)[C@@]1(C(F)(F)F)CCN(CC(=O)NCC(=O)[O-])C1 ZINC001593813304 954968747 /nfs/dbraw/zinc/96/87/47/954968747.db2.gz PEJIWONLHITJOX-SNVBAGLBSA-N -1 0 312.244 -0.385 20 0 DBADRM COC(=O)C1(NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCC1 ZINC001593813408 954971727 /nfs/dbraw/zinc/97/17/27/954971727.db2.gz DNNCTAMBMIWCOW-QMMMGPOBSA-N -1 0 306.340 -0.535 20 0 DBADRM COC(=O)C1(O)CN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C1 ZINC001593813481 954973013 /nfs/dbraw/zinc/97/30/13/954973013.db2.gz FIZBQBPVUGOABY-SECBINFHSA-N -1 0 302.327 -0.337 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2CCc2ccccn2)CCO1 ZINC001594954573 954975935 /nfs/dbraw/zinc/97/59/35/954975935.db2.gz KTHJDWNZKXKPFQ-NSHDSACASA-N -1 0 304.310 -0.399 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2CC[C@H]2CCCCO2)CCO1 ZINC001594954507 954975995 /nfs/dbraw/zinc/97/59/95/954975995.db2.gz HLHYTDVKKZHTQE-MNOVXSKESA-N -1 0 311.342 -0.078 20 0 DBADRM COC(=O)[C@@]1(N2CCN(C(=O)CCC(=O)[O-])CC2)CCOC1 ZINC001593813704 954976047 /nfs/dbraw/zinc/97/60/47/954976047.db2.gz HFTYSXSKCBHZLQ-CQSZACIVSA-N -1 0 314.338 -0.673 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2CCc2ccccn2)CCO1 ZINC001594954572 954976703 /nfs/dbraw/zinc/97/67/03/954976703.db2.gz KTHJDWNZKXKPFQ-LLVKDONJSA-N -1 0 304.310 -0.399 20 0 DBADRM COC(=O)C1(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCC1 ZINC001593813758 954976795 /nfs/dbraw/zinc/97/67/95/954976795.db2.gz HMPUEEZJEYYHBW-UHFFFAOYSA-N -1 0 320.367 -0.287 20 0 DBADRM COC(=O)[C@]1(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CCOC1 ZINC001593813811 954978174 /nfs/dbraw/zinc/97/81/74/954978174.db2.gz IBDDQEJSROYTSJ-BFVZDQMLSA-N -1 0 315.322 -0.295 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)Cc2noc(C3CC3)n2)CCO1 ZINC001594954916 954983151 /nfs/dbraw/zinc/98/31/51/954983151.db2.gz GQMBRJRKJKLWNF-MRVPVSSYSA-N -1 0 317.323 -0.438 20 0 DBADRM CC(C)C(=O)N1CCC(C(=O)N2CC[C@](O)(C(=O)[O-])C2)CC1 ZINC000386497299 972059299 /nfs/dbraw/zinc/05/92/99/972059299.db2.gz CBSVRRGXRWEZSD-OAHLLOKOSA-N -1 0 312.366 -0.071 20 0 DBADRM COC(=O)[C@@]1(F)CCN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001593814686 954989983 /nfs/dbraw/zinc/98/99/83/954989983.db2.gz ZLCYMSMOFKEHRJ-CYBMUJFWSA-N -1 0 303.286 -0.019 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1COc2ccc(O)cc2O1 ZINC001594957907 954995265 /nfs/dbraw/zinc/99/52/65/954995265.db2.gz UUWNZAAUCJGAMO-SKDRFNHKSA-N -1 0 309.274 -0.156 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001593816020 955003248 /nfs/dbraw/zinc/00/32/48/955003248.db2.gz MBLFMNZDWNQZJA-SFYZADRCSA-N -1 0 309.278 -0.829 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C\c1cccnc1 ZINC001594960139 955008834 /nfs/dbraw/zinc/00/88/34/955008834.db2.gz QHEPPATYEZBXRS-BYCRGOAPSA-N -1 0 310.331 -0.195 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc2ncccn2n1 ZINC001594960673 955013223 /nfs/dbraw/zinc/01/32/23/955013223.db2.gz BJQAYNRGSKQPJL-SECBINFHSA-N -1 0 324.318 -0.947 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@H]1CN(C2CC2)C(=O)O1 ZINC001594960896 955014656 /nfs/dbraw/zinc/01/46/56/955014656.db2.gz GMWQVMLCIIUBPA-UWVGGRQHSA-N -1 0 318.351 -0.847 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc[nH]c1=O ZINC001594961501 955018584 /nfs/dbraw/zinc/01/85/84/955018584.db2.gz LVLUVCWOSCPDSY-MRVPVSSYSA-N -1 0 300.292 -0.889 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cnc2n1CCC2 ZINC001594962823 955025786 /nfs/dbraw/zinc/02/57/86/955025786.db2.gz VZCYYEYFBFOWSN-SECBINFHSA-N -1 0 313.335 -0.847 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnc2c[nH]nc2c1 ZINC001594962883 955027584 /nfs/dbraw/zinc/02/75/84/955027584.db2.gz WULKIDGXQAZCOQ-JTQLQIEISA-N -1 0 324.318 -0.718 20 0 DBADRM O=C([O-])/C=C\c1cc(C(=O)N(CCO)CCOCCO)co1 ZINC001594965491 955048304 /nfs/dbraw/zinc/04/83/04/955048304.db2.gz UJPRQFIEDIEFLX-UPHRSURJSA-N -1 0 313.306 -0.179 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1cnc2n1CCOC2 ZINC001594965805 955052282 /nfs/dbraw/zinc/05/22/82/955052282.db2.gz POYGYXXKKJTMTE-SNVBAGLBSA-N -1 0 315.351 -0.903 20 0 DBADRM CC[C@H](CCO)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589515280 955065790 /nfs/dbraw/zinc/06/57/90/955065790.db2.gz WNHMBMRLJAAGMP-GHMZBOCLSA-N -1 0 300.355 -0.166 20 0 DBADRM O=C([O-])/C=C\c1cc(C(=O)NCC(=O)N2CCOCC2)co1 ZINC001594968707 955081905 /nfs/dbraw/zinc/08/19/05/955081905.db2.gz BGWRIIDDLQTYAC-UPHRSURJSA-N -1 0 308.290 -0.034 20 0 DBADRM O=C([O-])C=Cc1cc(C(=O)NCCN2C(=O)CNC2=O)co1 ZINC001594968946 955084433 /nfs/dbraw/zinc/08/44/33/955084433.db2.gz CAMOBDBOEDPIHW-OWOJBTEDSA-N -1 0 307.262 -0.341 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC000386599938 972067439 /nfs/dbraw/zinc/06/74/39/972067439.db2.gz YWOFARXSDBFOFU-CQSZACIVSA-N -1 0 302.290 -0.071 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCCC2(C1)OCCO2)C(=O)[O-] ZINC001589519641 955088257 /nfs/dbraw/zinc/08/82/57/955088257.db2.gz UBTDUTSOXXDUFG-JTQLQIEISA-N -1 0 314.338 -0.421 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCCN(CC)C(=O)C1)C(=O)[O-] ZINC001589519927 955089609 /nfs/dbraw/zinc/08/96/09/955089609.db2.gz WXQABXKZMWPXKC-JTQLQIEISA-N -1 0 313.354 -0.706 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)[C@@H](C)C(=O)[O-])C1 ZINC001593826050 955105415 /nfs/dbraw/zinc/10/54/15/955105415.db2.gz OHGQORATRKYOQP-IWSPIJDZSA-N -1 0 301.295 -0.340 20 0 DBADRM COC(=O)C1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)CC1 ZINC001593827793 955117943 /nfs/dbraw/zinc/11/79/43/955117943.db2.gz JLGWHHIOMHTJEN-UHFFFAOYSA-N -1 0 322.317 -0.042 20 0 DBADRM CC[C@H](CNC(=O)N1CCC(O)(COCCO)CC1)C(=O)[O-] ZINC001589526133 955119005 /nfs/dbraw/zinc/11/90/05/955119005.db2.gz HERBUOKPSJCMEM-LLVKDONJSA-N -1 0 318.370 -0.357 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)NCC(=O)[O-])Cc2ccccc21 ZINC001593828133 955121781 /nfs/dbraw/zinc/12/17/81/955121781.db2.gz NCDDUEKHWGIKMJ-LBPRGKRZSA-N -1 0 306.318 -0.040 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3CC(C(=O)[O-])=NO3)[C@@H]2C1 ZINC001593829264 955134512 /nfs/dbraw/zinc/13/45/12/955134512.db2.gz FVOMBMVYTXXORI-CDDJKKQXSA-N -1 0 310.306 -0.080 20 0 DBADRM COC(=O)C1CCC(NC(=O)C(=O)NCCC(=O)[O-])CC1 ZINC001593829364 955135614 /nfs/dbraw/zinc/13/56/14/955135614.db2.gz QGQRXMKLRGMECR-UHFFFAOYSA-N -1 0 300.311 -0.575 20 0 DBADRM CC[C@H](CNC(=O)N1CCN(c2nncn2C)CC1)C(=O)[O-] ZINC001589528343 955136798 /nfs/dbraw/zinc/13/67/98/955136798.db2.gz IPCLBNPSXJBJTN-SNVBAGLBSA-N -1 0 310.358 -0.243 20 0 DBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC001593829446 955136854 /nfs/dbraw/zinc/13/68/54/955136854.db2.gz XSBFTPWUTYXVJI-NSHDSACASA-N -1 0 320.301 -0.159 20 0 DBADRM CC[C@H](CNC(=O)N1CCc2nn(C)c(=O)cc2C1)C(=O)[O-] ZINC001589528755 955138902 /nfs/dbraw/zinc/13/89/02/955138902.db2.gz MSHSWVLNRBSGOE-SECBINFHSA-N -1 0 308.338 -0.041 20 0 DBADRM COC(=O)C[C@H](C)N1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001593831789 955157649 /nfs/dbraw/zinc/15/76/49/955157649.db2.gz KOCKVQOCZULTFE-VIFPVBQESA-N -1 0 324.337 -0.183 20 0 DBADRM COC(=O)C[C@](C)(NCC(=O)NCC(=O)[O-])c1cccnc1 ZINC001593832185 955163763 /nfs/dbraw/zinc/16/37/63/955163763.db2.gz XPZOMERQSNANHD-AWEZNQCLSA-N -1 0 309.322 -0.350 20 0 DBADRM COC(=O)CC1(NC(=O)[C@H](C)C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593832677 955165954 /nfs/dbraw/zinc/16/59/54/955165954.db2.gz GEZIDZXFTVAZKV-QMMMGPOBSA-N -1 0 321.351 -0.666 20 0 DBADRM COC(=O)CCCCCS(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC001593834397 955174868 /nfs/dbraw/zinc/17/48/68/955174868.db2.gz KYUMFBHUMCLNLS-NSHDSACASA-N -1 0 311.356 -0.525 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593834440 955175582 /nfs/dbraw/zinc/17/55/82/955175582.db2.gz OPCYTHLWKOWBRA-UHFFFAOYSA-N -1 0 300.311 -0.621 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@]1(C)CCC(=O)NC1 ZINC001593835656 955178903 /nfs/dbraw/zinc/17/89/03/955178903.db2.gz FRCRPGLLXWUQJR-CYBMUJFWSA-N -1 0 300.311 -0.621 20 0 DBADRM CC[C@@H](CNC(=O)c1cc(N2CCNC(=O)C2)ccn1)C(=O)[O-] ZINC001589548958 955206614 /nfs/dbraw/zinc/20/66/14/955206614.db2.gz ANPMSPMRNXEVMA-JTQLQIEISA-N -1 0 320.349 -0.142 20 0 DBADRM CC[C@H](CNC(=O)c1cc(N2CCNC(=O)C2)ccn1)C(=O)[O-] ZINC001589548959 955206735 /nfs/dbraw/zinc/20/67/35/955206735.db2.gz ANPMSPMRNXEVMA-SNVBAGLBSA-N -1 0 320.349 -0.142 20 0 DBADRM Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000386852203 972085373 /nfs/dbraw/zinc/08/53/73/972085373.db2.gz VMEICECVKWZVHA-ZDUSSCGKSA-N -1 0 307.262 -0.102 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001593836601 955317087 /nfs/dbraw/zinc/31/70/87/955317087.db2.gz CDVHCGGUIJSQFX-KXUCPTDWSA-N -1 0 300.311 -0.177 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001589001034 955323719 /nfs/dbraw/zinc/32/37/19/955323719.db2.gz BCIMFNVVDMEFDV-ZETCQYMHSA-N -1 0 305.290 -0.039 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1cc(C)c(C(N)=O)cn1 ZINC001593838273 955326001 /nfs/dbraw/zinc/32/60/01/955326001.db2.gz ADCNVGLZRNBSLI-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 ZINC001589001887 955334145 /nfs/dbraw/zinc/33/41/45/955334145.db2.gz NTNPVOPEGUKTRK-CBAPKCEASA-N -1 0 313.285 -0.709 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001593839089 955337504 /nfs/dbraw/zinc/33/75/04/955337504.db2.gz KMSBGCWWDWVPCJ-NXEZZACHSA-N -1 0 309.322 0.000 20 0 DBADRM Cc1occc(=O)c1OCC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001594505595 955353357 /nfs/dbraw/zinc/35/33/57/955353357.db2.gz CDRIKVZFQNAKDZ-UHFFFAOYSA-N -1 0 324.289 -0.918 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001598605255 1017330011 /nfs/dbraw/zinc/33/00/11/1017330011.db2.gz XNAHIIJLSLKMGZ-UHFFFAOYSA-N -1 0 308.338 -0.441 20 0 DBADRM Cc1oc(C(=O)NCCOCCOCC(=O)[O-])cc1CO ZINC001594507024 955367039 /nfs/dbraw/zinc/36/70/39/955367039.db2.gz VPJHVHAIQQIMMH-UHFFFAOYSA-N -1 0 301.295 -0.072 20 0 DBADRM Cc1onc(CO)c1C(=O)NCCOCCOCC(=O)[O-] ZINC001594510148 955378388 /nfs/dbraw/zinc/37/83/88/955378388.db2.gz DNFUTIHUEQODBK-UHFFFAOYSA-N -1 0 302.283 -0.677 20 0 DBADRM COC(=O)CC[C@H](NC(=O)Cc1nc2ncccn2n1)C(=O)[O-] ZINC001593843980 955387108 /nfs/dbraw/zinc/38/71/08/955387108.db2.gz GOFUCBDCAYAPGG-QMMMGPOBSA-N -1 0 321.293 -0.811 20 0 DBADRM COC(=O)CC[C@H](NC(=O)Cc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC001593843993 955388745 /nfs/dbraw/zinc/38/87/45/955388745.db2.gz HGKADLKHNQAVMP-NSHDSACASA-N -1 0 322.317 -0.149 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CCCC(=O)N(C)C)C(=O)[O-] ZINC001593845028 955403391 /nfs/dbraw/zinc/40/33/91/955403391.db2.gz CNHWAPQLNXHTML-VIFPVBQESA-N -1 0 302.327 -0.233 20 0 DBADRM COC(=O)CCN1CCN(C(=O)COCC(=O)[O-])[C@H](C)C1 ZINC001593845312 955406360 /nfs/dbraw/zinc/40/63/60/955406360.db2.gz RGWHKLGBGWFJKD-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM COC(=O)CC[C@H](NC(=O)C[C@H]1CCC(=O)N1C)C(=O)[O-] ZINC001593845612 955410306 /nfs/dbraw/zinc/41/03/06/955410306.db2.gz HTYDBJJROYCMGQ-BDAKNGLRSA-N -1 0 300.311 -0.480 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2ccsc2C(=O)[O-])CC(=O)N1 ZINC000386968370 972094046 /nfs/dbraw/zinc/09/40/46/972094046.db2.gz AZDJAHNJAVQYPM-ZCFIWIBFSA-N -1 0 304.349 -0.045 20 0 DBADRM COC(=O)CC[C@H](NC(=O)C(=O)N1CCC(C)CC1)C(=O)[O-] ZINC001593846241 955417671 /nfs/dbraw/zinc/41/76/71/955417671.db2.gz OISGHUGFFUCZDH-JTQLQIEISA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@@H](CCO)CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589015551 955433127 /nfs/dbraw/zinc/43/31/27/955433127.db2.gz QMTNIJPELUDSTC-QWRGUYRKSA-N -1 0 315.370 -0.230 20 0 DBADRM C[C@@H](CCO)CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589015918 955438301 /nfs/dbraw/zinc/43/83/01/955438301.db2.gz ZWUDDCKCLUNCAN-MNOVXSKESA-N -1 0 300.355 -0.166 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)Cc1nocc1C)C(=O)[O-] ZINC001593849883 955445917 /nfs/dbraw/zinc/44/59/17/955445917.db2.gz NFAMQMDRYKOKLZ-QMMMGPOBSA-N -1 0 320.323 -0.191 20 0 DBADRM C[C@@H](CN(C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001589019308 955449367 /nfs/dbraw/zinc/44/93/67/955449367.db2.gz FXNSRVWPZUVQLE-UWVGGRQHSA-N -1 0 306.384 -0.716 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N[C@H]1CCN(CC(F)F)C1)C(=O)[O-] ZINC001589019245 955449415 /nfs/dbraw/zinc/44/94/15/955449415.db2.gz CSFWDIIPVCGCIC-IUCAKERBSA-N -1 0 321.324 -0.379 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CC[C@@H](c2nccn2C)C1)C(=O)[O-] ZINC001589019210 955449673 /nfs/dbraw/zinc/44/96/73/955449673.db2.gz BJWWPXCOPLEARR-WDEREUQCSA-N -1 0 322.365 -0.085 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC(C2(O)CC2)CC1)C(=O)[O-] ZINC001589019231 955449716 /nfs/dbraw/zinc/44/97/16/955449716.db2.gz CCVLQXIUNVAQRX-JTQLQIEISA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCn2cnnc2[C@H]1C)C(=O)[O-] ZINC001589019769 955458323 /nfs/dbraw/zinc/45/83/23/955458323.db2.gz JOFUDANMHNIFIO-DTWKUNHWSA-N -1 0 309.326 -0.640 20 0 DBADRM COC(=O)COCCNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001593851155 955458753 /nfs/dbraw/zinc/45/87/53/955458753.db2.gz CDSJNRBLQKXMLU-UWVGGRQHSA-N -1 0 302.327 -0.072 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@H]1CCC[C@H]1CCO)C(=O)[O-] ZINC001589019970 955461809 /nfs/dbraw/zinc/46/18/09/955461809.db2.gz MDBOPBRIZMPKDN-VWYCJHECSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N(C)CC1(O)CCOCC1)C(=O)[O-] ZINC001589020727 955468586 /nfs/dbraw/zinc/46/85/86/955468586.db2.gz VKOJGLOUKSDTQK-JTQLQIEISA-N -1 0 316.354 -0.835 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC(O)(C(F)F)CC1)C(=O)[O-] ZINC001589021251 955471623 /nfs/dbraw/zinc/47/16/23/955471623.db2.gz YZPQVZGNCKIQPU-QMMMGPOBSA-N -1 0 322.308 -0.216 20 0 DBADRM C[C@@H](CN(C)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001589023497 955493193 /nfs/dbraw/zinc/49/31/93/955493193.db2.gz LIAPYCMYJHOPET-UWVGGRQHSA-N -1 0 321.399 -0.370 20 0 DBADRM Cn1cc(C(=O)CCC(=O)N2CCN(C(=O)C(=O)[O-])CC2)cn1 ZINC001594525230 955497273 /nfs/dbraw/zinc/49/72/73/955497273.db2.gz ARXSTNUCKYYTOX-UHFFFAOYSA-N -1 0 322.321 -0.862 20 0 DBADRM Cn1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)n(C)c1=O ZINC001594525335 955497458 /nfs/dbraw/zinc/49/74/58/955497458.db2.gz DQGTXPMAVFJMHH-UHFFFAOYSA-N -1 0 311.338 -0.180 20 0 DBADRM C[C@@H](CN(C)C(=O)NCC1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001589023934 955498327 /nfs/dbraw/zinc/49/83/27/955498327.db2.gz WLPMFODJKFWTGP-QMMMGPOBSA-N -1 0 307.372 -0.760 20 0 DBADRM COC(=O)N1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001593856320 955505826 /nfs/dbraw/zinc/50/58/26/955505826.db2.gz CNEJGWLRGSFZIY-UHFFFAOYSA-N -1 0 300.311 -0.222 20 0 DBADRM COCCn1nc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])ccc1=O ZINC000387082319 972102246 /nfs/dbraw/zinc/10/22/46/972102246.db2.gz PSGWXGFKIPJOLJ-AWEZNQCLSA-N -1 0 309.322 -0.031 20 0 DBADRM Cn1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1C=O ZINC001594526716 955507760 /nfs/dbraw/zinc/50/77/60/955507760.db2.gz IFMCYFKLZBVRTN-JTQLQIEISA-N -1 0 314.319 -0.839 20 0 DBADRM COC(=O)NCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001593858125 955519233 /nfs/dbraw/zinc/51/92/33/955519233.db2.gz GJQJTNKOBIFKPW-ZJUUUORDSA-N -1 0 324.337 -0.207 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001594530075 955519869 /nfs/dbraw/zinc/51/98/69/955519869.db2.gz WEBHASLDUAKOBE-LLVKDONJSA-N -1 0 316.317 -0.055 20 0 DBADRM C[C@@H](CN(C)C(=O)c1ccnc2c(C(N)=O)cnn21)C(=O)[O-] ZINC001589031363 955521130 /nfs/dbraw/zinc/52/11/30/955521130.db2.gz BRYNFJSINIVYHO-ZETCQYMHSA-N -1 0 305.294 -0.379 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)C[C@H](C)O1 ZINC001593860562 955535231 /nfs/dbraw/zinc/53/52/31/955535231.db2.gz FUQMFNNVZDNTCJ-XVKPBYJWSA-N -1 0 311.294 -0.479 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)C2(CC(=O)[O-])CCOCC2)cn1 ZINC001594531465 955537971 /nfs/dbraw/zinc/53/79/71/955537971.db2.gz JOTVGICZAGJCKJ-LLVKDONJSA-N -1 0 311.338 -0.159 20 0 DBADRM C[C@H](CN(C)Cc1nccn1S(=O)(=O)N(C)C)C(=O)[O-] ZINC001589033879 955544206 /nfs/dbraw/zinc/54/42/06/955544206.db2.gz UHWWFLVGOKKIGF-SECBINFHSA-N -1 0 304.372 -0.310 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C[C@H]1C ZINC001593861519 955552488 /nfs/dbraw/zinc/55/24/88/955552488.db2.gz WKNSTODFLUEOQJ-OPRDCNLKSA-N -1 0 312.322 -0.813 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593862378 955554073 /nfs/dbraw/zinc/55/40/73/955554073.db2.gz BFZVXRMAUVTXLE-PUXPGTEJSA-N -1 0 312.322 -0.462 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)nc1)C(=O)[O-] ZINC001589036759 955554837 /nfs/dbraw/zinc/55/48/37/955554837.db2.gz KJKJYHYOYJITSQ-QMMMGPOBSA-N -1 0 318.293 -0.562 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC001589037002 955556412 /nfs/dbraw/zinc/55/64/12/955556412.db2.gz QAFVLLUHQWJIED-NKWVEPMBSA-N -1 0 312.244 -0.387 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(Cc3nnn(C)n3)C2)cn1 ZINC001594534429 955558586 /nfs/dbraw/zinc/55/85/86/955558586.db2.gz GDSFZRSMOWOIIQ-NXEZZACHSA-N -1 0 305.342 -0.366 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593862844 955560100 /nfs/dbraw/zinc/56/01/00/955560100.db2.gz VTKVPQCLLDRVAF-ZYUZMQFOSA-N -1 0 300.311 -0.273 20 0 DBADRM COC(=O)[C@H](CC(C)C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593863626 955565567 /nfs/dbraw/zinc/56/55/67/955565567.db2.gz LOWCAGUGRWFFED-UWVGGRQHSA-N -1 0 322.383 -0.043 20 0 DBADRM COC(=O)[C@H](CS[C@H]1CCN(CC(=O)[O-])C1=O)NC(C)=O ZINC001593863973 955567733 /nfs/dbraw/zinc/56/77/33/955567733.db2.gz UEZBZMCWTRHSIM-IUCAKERBSA-N -1 0 318.351 -0.917 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@@H](C2OCCO2)C1)C(=O)[O-] ZINC001589039679 955582336 /nfs/dbraw/zinc/58/23/36/955582336.db2.gz QUTHGHBZHPGJRT-RKDXNWHRSA-N -1 0 300.311 -0.955 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1cccc2c1CCNC2=O)C(=O)[O-] ZINC001589039759 955585062 /nfs/dbraw/zinc/58/50/62/955585062.db2.gz IECWMIFATSQSOT-QMMMGPOBSA-N -1 0 319.317 -0.252 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)CCC(=O)[O-])CC1(C)OCCO1 ZINC001589039867 955586479 /nfs/dbraw/zinc/58/64/79/955586479.db2.gz SSFUTQCTJZGNLH-JTQLQIEISA-N -1 0 316.354 -0.175 20 0 DBADRM C[C@H](CN1CCOCC1)N(C)C(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001589040206 955590771 /nfs/dbraw/zinc/59/07/71/955590771.db2.gz YWWCBSJPNNFPRZ-BXUZGUMPSA-N -1 0 300.355 -0.201 20 0 DBADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)Cn3cncn3)C2)cn1 ZINC001594538065 955596368 /nfs/dbraw/zinc/59/63/68/955596368.db2.gz DQLYBNIUKJXZCL-WDEREUQCSA-N -1 0 318.337 -0.272 20 0 DBADRM Cn1cc(CN2CCN(C(=O)c3cc(C(=O)[O-])n[nH]3)CC2)cn1 ZINC001594542584 955663823 /nfs/dbraw/zinc/66/38/23/955663823.db2.gz BQNHBWJIKBZUCQ-UHFFFAOYSA-N -1 0 318.337 -0.201 20 0 DBADRM COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[nH]1 ZINC001593876007 955670868 /nfs/dbraw/zinc/67/08/68/955670868.db2.gz OJKBNYNVRYKKPU-XLKFXECMSA-N -1 0 308.290 -0.026 20 0 DBADRM C[C@H](CNC(=O)NCCC(=O)N1CCN(C)CC1)C(=O)[O-] ZINC001589053687 955679432 /nfs/dbraw/zinc/67/94/32/955679432.db2.gz KQEQCHHIBIMUQG-SNVBAGLBSA-N -1 0 300.359 -0.830 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N3CCOC[C@H]3C(=O)[O-])CC2=O)cn1 ZINC001594546425 955686783 /nfs/dbraw/zinc/68/67/83/955686783.db2.gz PBKGVBACGWGUTC-KOLCDFICSA-N -1 0 322.321 -0.915 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N3CCOC[C@@H]3C(=O)[O-])CC2=O)cn1 ZINC001594546427 955687022 /nfs/dbraw/zinc/68/70/22/955687022.db2.gz PBKGVBACGWGUTC-MWLCHTKSSA-N -1 0 322.321 -0.915 20 0 DBADRM Cn1ccc([C@@H]2CCCN(C(=O)C(=O)NCCC(=O)[O-])C2)n1 ZINC001594549317 955709244 /nfs/dbraw/zinc/70/92/44/955709244.db2.gz GOKRXYZENYZIEU-SNVBAGLBSA-N -1 0 308.338 -0.283 20 0 DBADRM Cn1cc(S(=O)(=O)NCCC(=O)[O-])c(Br)n1 ZINC001594549346 955709883 /nfs/dbraw/zinc/70/98/83/955709883.db2.gz FWISAJSQSJIIHT-UHFFFAOYSA-N -1 0 312.145 -0.064 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001594549744 955715836 /nfs/dbraw/zinc/71/58/36/955715836.db2.gz SIQVQHLAXHJELH-GXSJLCMTSA-N -1 0 324.333 -0.023 20 0 DBADRM Cn1ccc(=O)n(CCCNC(=O)C2(C(=O)[O-])CC=CC2)c1=O ZINC001594550009 955718005 /nfs/dbraw/zinc/71/80/05/955718005.db2.gz WPHBIYXXKNRIRB-UHFFFAOYSA-N -1 0 321.333 -0.526 20 0 DBADRM C[C@H](CNC(=O)c1cccn(CC(=O)[O-])c1=O)S(C)(=O)=O ZINC001589064373 955743142 /nfs/dbraw/zinc/74/31/42/955743142.db2.gz ZHACRBBCDBTAJK-MRVPVSSYSA-N -1 0 316.335 -0.904 20 0 DBADRM Cn1ccnc1CN1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001594555531 955756193 /nfs/dbraw/zinc/75/61/93/955756193.db2.gz JBRJAIIFBCVGPH-GFCCVEGCSA-N -1 0 321.381 -0.777 20 0 DBADRM Cn1ccnc1[C@@H]1CCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001594555547 955757878 /nfs/dbraw/zinc/75/78/78/955757878.db2.gz JVPQXZWYNOMFQA-SNVBAGLBSA-N -1 0 301.368 -0.291 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NC1(CC(=O)[O-])CCC1 ZINC001593890330 955771530 /nfs/dbraw/zinc/77/15/30/955771530.db2.gz DJMMLPIPCICAMA-UHFFFAOYSA-N -1 0 317.323 -0.128 20 0 DBADRM Cn1cnc2ccc(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)nc21 ZINC001594557266 955772169 /nfs/dbraw/zinc/77/21/69/955772169.db2.gz AGIRTNFXCDMPIC-UHFFFAOYSA-N -1 0 317.305 -0.663 20 0 DBADRM Cn1cnc(CCNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC001594557660 955778065 /nfs/dbraw/zinc/77/80/65/955778065.db2.gz GJNSOHXXLGMQIM-JTQLQIEISA-N -1 0 308.338 -0.598 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC001594557828 955780469 /nfs/dbraw/zinc/78/04/69/955780469.db2.gz MACNTFUPKLEDHL-JTQLQIEISA-N -1 0 308.338 -0.250 20 0 DBADRM COC(=O)c1cn([C@H]2CCN(C(=O)[C@@H](C(=O)[O-])C3CC3)C2)nn1 ZINC001593891614 955789195 /nfs/dbraw/zinc/78/91/95/955789195.db2.gz LBJYIEJBIPEDRN-ONGXEEELSA-N -1 0 322.321 -0.051 20 0 DBADRM Cn1cnnc1[C@H](CO)NC(=O)Cc1ccccc1C(=O)[O-] ZINC001594558842 955792065 /nfs/dbraw/zinc/79/20/65/955792065.db2.gz XMPXUNFIFIBHKM-NSHDSACASA-N -1 0 304.306 -0.094 20 0 DBADRM Cn1cnnc1CC1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001594559244 955793684 /nfs/dbraw/zinc/79/36/84/955793684.db2.gz DLKGYGPJSARNAA-LLVKDONJSA-N -1 0 321.337 -0.174 20 0 DBADRM COC(=O)c1cncc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c1 ZINC001593893297 955797345 /nfs/dbraw/zinc/79/73/45/955797345.db2.gz HSDKLOQNRSUHBB-QMMMGPOBSA-N -1 0 323.305 -0.014 20 0 DBADRM COC(=O)c1cncc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC001593893412 955798390 /nfs/dbraw/zinc/79/83/90/955798390.db2.gz MTWLKMUBRKLMKV-ZETCQYMHSA-N -1 0 309.278 -0.356 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594560125 955798863 /nfs/dbraw/zinc/79/88/63/955798863.db2.gz YVVMLZAXZSWBKB-PSASIEDQSA-N -1 0 307.310 -0.249 20 0 DBADRM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N(C)CCC(=O)[O-] ZINC001589074617 955799469 /nfs/dbraw/zinc/79/94/69/955799469.db2.gz CPZZUSJXNVXPSA-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1C ZINC000387606688 972129575 /nfs/dbraw/zinc/12/95/75/972129575.db2.gz JVFODVZQOOGGHT-SNVBAGLBSA-N -1 0 309.322 -0.287 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001589076535 955821561 /nfs/dbraw/zinc/82/15/61/955821561.db2.gz SCQGEWSISSETAQ-SECBINFHSA-N -1 0 307.368 -0.193 20 0 DBADRM Cn1nnc2c1CC[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)C2 ZINC001594564740 955830471 /nfs/dbraw/zinc/83/04/71/955830471.db2.gz CTBFCAMSGGLMDC-SSDOTTSWSA-N -1 0 304.310 -0.466 20 0 DBADRM C[C@H](C[S@@](C)=O)N(C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589077227 955832438 /nfs/dbraw/zinc/83/24/38/955832438.db2.gz RPGWHSFSBNXZEA-FDXSBTRWSA-N -1 0 318.395 -0.465 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@@H](CO)Cc1cncs1 ZINC001594565223 955840218 /nfs/dbraw/zinc/84/02/18/955840218.db2.gz ZYPCKNUMYJPGNF-SSDOTTSWSA-N -1 0 310.335 -0.092 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC001594565923 955845836 /nfs/dbraw/zinc/84/58/36/955845836.db2.gz UUMILMRVQISCIS-ZETCQYMHSA-N -1 0 301.324 -0.575 20 0 DBADRM COC(=O)c1ncoc1CCC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001593898413 955847055 /nfs/dbraw/zinc/84/70/55/955847055.db2.gz QWAHFWZTCMZKHZ-CYBMUJFWSA-N -1 0 312.278 -0.246 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001589081517 955859630 /nfs/dbraw/zinc/85/96/30/955859630.db2.gz QFKMHZZWPVOXOW-QWRGUYRKSA-N -1 0 323.353 -0.504 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CC2(CCOCC2)CC[C@@H]1CO ZINC001593901974 955879990 /nfs/dbraw/zinc/87/99/90/955879990.db2.gz JUMQIPXIELXVGY-GHMZBOCLSA-N -1 0 301.339 -0.134 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC([C@@]2(C)COC(=O)N2)CC1 ZINC001593902561 955887163 /nfs/dbraw/zinc/88/71/63/955887163.db2.gz TYOLYAFEWSSEDY-NOZJJQNGSA-N -1 0 300.311 -0.177 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589084198 955889403 /nfs/dbraw/zinc/88/94/03/955889403.db2.gz YEJCLZGGAFGWRD-MNOVXSKESA-N -1 0 308.338 -0.289 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)N(C)C)CC1(C)C ZINC001593905130 955903263 /nfs/dbraw/zinc/90/32/63/955903263.db2.gz DOOGUBNOIBMBIZ-VIFPVBQESA-N -1 0 301.343 -0.310 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(c2nnc(C)s2)CC1 ZINC001593905202 955904345 /nfs/dbraw/zinc/90/43/45/955904345.db2.gz GKIOMJQJXYTGBI-QMMMGPOBSA-N -1 0 300.340 -0.405 20 0 DBADRM C[C@H](NC(=O)C(=O)NCCCCC(=O)[O-])[C@@H]1CN(C)CCO1 ZINC001589086666 955906875 /nfs/dbraw/zinc/90/68/75/955906875.db2.gz RIKZEUUIWBPQGW-QWRGUYRKSA-N -1 0 315.370 -0.807 20 0 DBADRM C[C@H](NC(=O)C(=O)NCCC(=O)[O-])c1nnc2ccccn21 ZINC001589086675 955907291 /nfs/dbraw/zinc/90/72/91/955907291.db2.gz RTSKCTZFJYJPHQ-QMMMGPOBSA-N -1 0 305.294 -0.503 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C ZINC001593905822 955912011 /nfs/dbraw/zinc/91/20/11/955912011.db2.gz KPRGKSNUFYDHGR-JGVFFNPUSA-N -1 0 304.368 -0.098 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001589088410 955918568 /nfs/dbraw/zinc/91/85/68/955918568.db2.gz UUIXHFNGCZFNHV-DTWKUNHWSA-N -1 0 314.338 -0.234 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 ZINC001593906602 955924459 /nfs/dbraw/zinc/92/44/59/955924459.db2.gz CERVECRDRRSYTC-ZJUUUORDSA-N -1 0 317.338 -0.382 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001593906835 955928353 /nfs/dbraw/zinc/92/83/53/955928353.db2.gz JYWBCLBATOAPEI-BDAKNGLRSA-N -1 0 305.352 -0.298 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H]1CCc2c(nc(C)n2CCO)C1 ZINC001593907014 955931185 /nfs/dbraw/zinc/93/11/85/955931185.db2.gz OIXRQKPLWDILHQ-CABZTGNLSA-N -1 0 311.338 -0.743 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCc2c(nc(C)n2CCO)C1 ZINC001593907013 955931401 /nfs/dbraw/zinc/93/14/01/955931401.db2.gz OIXRQKPLWDILHQ-BXKDBHETSA-N -1 0 311.338 -0.743 20 0 DBADRM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)NCCC(=O)[O-] ZINC001594577443 955931715 /nfs/dbraw/zinc/93/17/15/955931715.db2.gz VLVVULFJCXXXFO-SECBINFHSA-N -1 0 324.337 -0.157 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001593906945 955932021 /nfs/dbraw/zinc/93/20/21/955932021.db2.gz MLJFYORTBYDTSJ-JTQLQIEISA-N -1 0 310.310 -0.770 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H]1CCCN(c2nc(C)cc(=O)[nH]2)C1 ZINC001593907346 955938414 /nfs/dbraw/zinc/93/84/14/955938414.db2.gz WBAUUUGBOXDWDQ-ONGXEEELSA-N -1 0 324.337 -0.325 20 0 DBADRM Cn1ncc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1-n1cnnc1 ZINC001594578392 955941310 /nfs/dbraw/zinc/94/13/10/955941310.db2.gz OPOXDNPZPCSVPB-ZDUSSCGKSA-N -1 0 304.310 -0.062 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c1N ZINC001594578830 955944008 /nfs/dbraw/zinc/94/40/08/955944008.db2.gz CCYNPNQSQFUKSN-VIFPVBQESA-N -1 0 309.326 -0.802 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1nccn1C ZINC001589091599 955944237 /nfs/dbraw/zinc/94/42/37/955944237.db2.gz DWGIKILCTTYFKO-VHSXEESVSA-N -1 0 308.338 -0.080 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC[C@H](O)C(=O)OCc1ccccc1 ZINC001593907842 955944896 /nfs/dbraw/zinc/94/48/96/955944896.db2.gz AAMPKWWKVVGQGS-WDEREUQCSA-N -1 0 311.290 -0.694 20 0 DBADRM Cn1ncc(C(=O)NCCOCCOCC(=O)[O-])c1Cl ZINC001594579152 955949250 /nfs/dbraw/zinc/94/92/50/955949250.db2.gz PBPBUYJSGKLNFR-UHFFFAOYSA-N -1 0 305.718 -0.079 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCCNC(=O)NC1CCCCC1 ZINC001593908488 955952512 /nfs/dbraw/zinc/95/25/12/955952512.db2.gz ZLRZDIGZVBSFEK-SNVBAGLBSA-N -1 0 301.343 -0.166 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1ccccc1CS(C)(=O)=O ZINC001593909245 955958252 /nfs/dbraw/zinc/95/82/52/955958252.db2.gz SRNJZVGSMBFPMG-LLVKDONJSA-N -1 0 315.347 -0.053 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001593911923 955973814 /nfs/dbraw/zinc/97/38/14/955973814.db2.gz UKROXJWLLUHTNW-HRDYMLBCSA-N -1 0 318.326 -0.818 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001593911924 955974453 /nfs/dbraw/zinc/97/44/53/955974453.db2.gz UKROXJWLLUHTNW-IWSPIJDZSA-N -1 0 318.326 -0.818 20 0 DBADRM Cn1ncc(CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])n1 ZINC001594582134 955980363 /nfs/dbraw/zinc/98/03/63/955980363.db2.gz GUVICQBXXOVYAE-UHFFFAOYSA-N -1 0 304.266 -0.837 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)OCC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC001589095425 955983957 /nfs/dbraw/zinc/98/39/57/955983957.db2.gz DVTGNQXFFYKEDP-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@H](NC(=O)COC(=O)c1ccc(C(=O)[O-])cn1)C(=O)N(C)C ZINC001589095814 955984808 /nfs/dbraw/zinc/98/48/08/955984808.db2.gz LJDBQLRVEMFFFE-QMMMGPOBSA-N -1 0 323.305 -0.471 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)O[C@H](C)CS(=O)(=O)N1CCCC1 ZINC001593914039 956005194 /nfs/dbraw/zinc/00/51/94/956005194.db2.gz DIGROSYLJPNHGC-BDAKNGLRSA-N -1 0 309.340 -0.557 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H](CO)c1nc(-c2ccccc2)no1 ZINC001593915030 956011931 /nfs/dbraw/zinc/01/19/31/956011931.db2.gz BYSAJHHEHQLYDA-ZJUUUORDSA-N -1 0 321.289 -0.014 20 0 DBADRM C[C@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)c1nncn1C ZINC001589102855 956017236 /nfs/dbraw/zinc/01/72/36/956017236.db2.gz JEGOTIQOWLASSN-RVBZMBCESA-N -1 0 309.326 -0.381 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)O[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC001593915601 956019419 /nfs/dbraw/zinc/01/94/19/956019419.db2.gz PORDPOFMWXODNC-WCBMZHEXSA-N -1 0 311.294 -0.523 20 0 DBADRM Cn1nccc1-c1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1 ZINC001594588612 956024587 /nfs/dbraw/zinc/02/45/87/956024587.db2.gz ZMZVZVZRVCVUQD-UHFFFAOYSA-N -1 0 318.249 -0.516 20 0 DBADRM C[C@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)c1nnnn1C ZINC001589103851 956025574 /nfs/dbraw/zinc/02/55/74/956025574.db2.gz SXOKIOBMBIRHRN-UBJUHAIHSA-N -1 0 310.314 -0.986 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)c1cc2n(n1)CCC[C@@H]2O)C(=O)[O-] ZINC001594589226 956033593 /nfs/dbraw/zinc/03/35/93/956033593.db2.gz IVAZFVNANJWOQS-NWDGAFQWSA-N -1 0 319.321 -0.001 20 0 DBADRM Cn1nccc1[C@H](NC(=O)COCc1cc[nH]c(=O)c1)C(=O)[O-] ZINC001594589500 956038403 /nfs/dbraw/zinc/03/84/03/956038403.db2.gz XJAZUIUENLAXKO-ZDUSSCGKSA-N -1 0 320.305 -0.021 20 0 DBADRM Cn1nccc1[C@@H](NCC(=O)NC(=O)NC1CCCC1)C(=O)[O-] ZINC001594590237 956050314 /nfs/dbraw/zinc/05/03/14/956050314.db2.gz HQOWDCNIAJVFNC-GFCCVEGCSA-N -1 0 323.353 -0.096 20 0 DBADRM Cn1nccc1[C@H](NCC(=O)NC(=O)NC1CCCC1)C(=O)[O-] ZINC001594590238 956050819 /nfs/dbraw/zinc/05/08/19/956050819.db2.gz HQOWDCNIAJVFNC-LBPRGKRZSA-N -1 0 323.353 -0.096 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC(CS(C)(=O)=O)CC1 ZINC001593919792 956064126 /nfs/dbraw/zinc/06/41/26/956064126.db2.gz VFJRACHCXPUYTO-GFCCVEGCSA-N -1 0 307.368 -0.241 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC(O)(c2nccn2C)CC1 ZINC001593919973 956066072 /nfs/dbraw/zinc/06/60/72/956066072.db2.gz WQSFRAUANCYZCS-ZDUSSCGKSA-N -1 0 311.338 -0.280 20 0 DBADRM CO[C@H](C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O)[C@@H]1CCOC1 ZINC001593920343 956070852 /nfs/dbraw/zinc/07/08/52/956070852.db2.gz PRXZDHRCLQRAFS-KKZNHRDASA-N -1 0 301.295 -0.733 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC001593921876 956085729 /nfs/dbraw/zinc/08/57/29/956085729.db2.gz BRKLNDGEVSDWLA-LDYMZIIASA-N -1 0 308.356 -0.997 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(C(=O)c2cccn2C)CC1 ZINC001593922198 956090993 /nfs/dbraw/zinc/09/09/93/956090993.db2.gz GSZPAAQBOHVCDD-OAHLLOKOSA-N -1 0 323.349 -0.201 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC[C@@H](N2CCOCC2)C1 ZINC001593922219 956091639 /nfs/dbraw/zinc/09/16/39/956091639.db2.gz HKNUXTNBNVKMFP-BXUZGUMPSA-N -1 0 300.355 -0.201 20 0 DBADRM Cn1nccc1[C@H]1CN(CCS(=O)(=O)CC(=O)[O-])CCO1 ZINC001594596289 956092505 /nfs/dbraw/zinc/09/25/05/956092505.db2.gz CJGYBTJCDVDZLQ-LLVKDONJSA-N -1 0 317.367 -0.707 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001593922374 956093146 /nfs/dbraw/zinc/09/31/46/956093146.db2.gz MEIMUIYOWIXULN-GXFFZTMASA-N -1 0 312.326 -0.576 20 0 DBADRM Cn1nccc1[C@@H]1COCCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001594596343 956093587 /nfs/dbraw/zinc/09/35/87/956093587.db2.gz FZOYPUIFIBYTNU-WDEREUQCSA-N -1 0 308.294 -0.451 20 0 DBADRM Cn1nccc1CCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001594596716 956097871 /nfs/dbraw/zinc/09/78/71/956097871.db2.gz JIKSNWHEHISZRS-UHFFFAOYSA-N -1 0 322.365 -0.162 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2nnc(C)s2)CC1 ZINC001593922889 956101785 /nfs/dbraw/zinc/10/17/85/956101785.db2.gz YSGBHJBAGWYQFF-LBPRGKRZSA-N -1 0 314.367 -0.015 20 0 DBADRM Cn1nccc1CN1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001594597370 956104691 /nfs/dbraw/zinc/10/46/91/956104691.db2.gz VLMLSGJYBQTDMW-GFCCVEGCSA-N -1 0 321.337 -0.706 20 0 DBADRM Cn1nccc1[C@@H]1CN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001594597284 956105148 /nfs/dbraw/zinc/10/51/48/956105148.db2.gz SUUFKJCPYAOAGS-QWRGUYRKSA-N -1 0 308.294 -0.451 20 0 DBADRM Cn1nncc1Cn1cc(CN2CCCC[C@H]2C(=O)[O-])nn1 ZINC001594597700 956108531 /nfs/dbraw/zinc/10/85/31/956108531.db2.gz BAWFBHJQVAYHEQ-LBPRGKRZSA-N -1 0 305.342 -0.106 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC001594597712 956108965 /nfs/dbraw/zinc/10/89/65/956108965.db2.gz BFDZUGLMLKVWOH-UHFFFAOYSA-N -1 0 303.278 -0.748 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC001593925219 956113703 /nfs/dbraw/zinc/11/37/03/956113703.db2.gz NAJCVFXXMYMTFN-BXGCZWRVSA-N -1 0 324.337 -0.480 20 0 DBADRM Cn1nccc1NC(=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001594598773 956115989 /nfs/dbraw/zinc/11/59/89/956115989.db2.gz BFVLQHQYWHXHPT-JTQLQIEISA-N -1 0 317.305 -0.434 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C1 ZINC001594599041 956118206 /nfs/dbraw/zinc/11/82/06/956118206.db2.gz HYXUGKCBKSOMQB-UHFFFAOYSA-N -1 0 322.365 -0.018 20 0 DBADRM CCc1cc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)n(C)n1 ZINC000388105743 972156186 /nfs/dbraw/zinc/15/61/86/972156186.db2.gz YCCOPTCDHFFLGS-UHFFFAOYSA-N -1 0 304.310 -0.031 20 0 DBADRM Cn1nnnc1SCCC(=O)NC1(C(=O)[O-])CCOCC1 ZINC001594601244 956133171 /nfs/dbraw/zinc/13/31/71/956133171.db2.gz LSQGVCMRUNNNKM-UHFFFAOYSA-N -1 0 315.355 -0.558 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CCOC[C@H]2CC(=O)[O-])CC1=O ZINC000388139768 972156800 /nfs/dbraw/zinc/15/68/00/972156800.db2.gz FYAHDKFZMIQVEQ-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCc1ncccc1S(C)(=O)=O ZINC001593926999 956138939 /nfs/dbraw/zinc/13/89/39/956138939.db2.gz RUFPHSYDIILHMC-LBPRGKRZSA-N -1 0 316.335 -0.409 20 0 DBADRM CN(C)c1cc(C(=O)NCCn2cc(C(=O)[O-])nn2)ccn1 ZINC000388149426 972157706 /nfs/dbraw/zinc/15/77/06/972157706.db2.gz RCTOIJTWUVOFIO-UHFFFAOYSA-N -1 0 304.310 -0.133 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C ZINC001593928075 956150013 /nfs/dbraw/zinc/15/00/13/956150013.db2.gz SCTOBDGHKGDIKG-ISVAXAHUSA-N -1 0 320.342 -0.522 20 0 DBADRM C[C@](O)(CNC(=O)CNC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC001589138865 956253841 /nfs/dbraw/zinc/25/38/41/956253841.db2.gz JVLYRJCMDMGFBU-HNNXBMFYSA-N -1 0 319.317 -0.151 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1cncc2c1CCCC2)C(=O)[O-] ZINC001589139159 956256174 /nfs/dbraw/zinc/25/61/74/956256174.db2.gz YUCKWBUMIDAPND-OAHLLOKOSA-N -1 0 321.333 -0.149 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1cc(-c2ccccc2)nn1)C(=O)[O-] ZINC001589140401 956264083 /nfs/dbraw/zinc/26/40/83/956264083.db2.gz LJEMRAMPSDWUJD-CQSZACIVSA-N -1 0 304.306 -0.103 20 0 DBADRM N#Cc1ccc(S(=O)(=O)CCN2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC000388330365 972166531 /nfs/dbraw/zinc/16/65/31/972166531.db2.gz DEZKBDAIIIMVJQ-DGCLKSJQSA-N -1 0 324.358 -0.148 20 0 DBADRM C[C@](O)(CNC(=O)c1cn(Cc2ccccn2)nn1)C(=O)[O-] ZINC001589144746 956281699 /nfs/dbraw/zinc/28/16/99/956281699.db2.gz WHRVXBWMYMWOCK-ZDUSSCGKSA-N -1 0 305.294 -0.713 20 0 DBADRM COC1(C)CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC001593941880 956283170 /nfs/dbraw/zinc/28/31/70/956283170.db2.gz LANTUIDVHQXFLI-JTQLQIEISA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)Nc2ccnc(C(=O)[O-])c2)CC1 ZINC001589146201 956288772 /nfs/dbraw/zinc/28/87/72/956288772.db2.gz DYFNZZQJXGAVAN-SECBINFHSA-N -1 0 322.321 -0.163 20 0 DBADRM C[C@@](O)(CNC(=O)c1cnnn1-c1cccc(F)c1)C(=O)[O-] ZINC001589146288 956289368 /nfs/dbraw/zinc/28/93/68/956289368.db2.gz ATSIYIHWRJSUFH-CYBMUJFWSA-N -1 0 308.269 -0.028 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001589146417 956291082 /nfs/dbraw/zinc/29/10/82/956291082.db2.gz HUSGTWXDUOIFNF-MVWJERBFSA-N -1 0 312.366 -0.025 20 0 DBADRM CO[C@@]1(CNC(=O)C2(CC(=O)[O-])CCC2)CCS(=O)(=O)C1 ZINC001593943458 956300229 /nfs/dbraw/zinc/30/02/29/956300229.db2.gz IEDLGRGNGMSSKS-CYBMUJFWSA-N -1 0 319.379 -0.049 20 0 DBADRM COC1([C@H](C)NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCOCC1 ZINC001593943548 956301645 /nfs/dbraw/zinc/30/16/45/956301645.db2.gz MZBYKIZYSHUMBD-WPRPVWTQSA-N -1 0 300.311 -0.084 20 0 DBADRM COC1([C@@H](C)NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCOCC1 ZINC001593943542 956302087 /nfs/dbraw/zinc/30/20/87/956302087.db2.gz MZBYKIZYSHUMBD-PSASIEDQSA-N -1 0 300.311 -0.084 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001589147085 956302773 /nfs/dbraw/zinc/30/27/73/956302773.db2.gz PNNLNWIQKBUUCR-CPCISQLKSA-N -1 0 310.310 -0.818 20 0 DBADRM C[C@](O)(CNC(=O)c1cncc(N2CCOCC2)c1)C(=O)[O-] ZINC001589147484 956308531 /nfs/dbraw/zinc/30/85/31/956308531.db2.gz TZVDDOSMLOWWFL-AWEZNQCLSA-N -1 0 309.322 -0.516 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])CCOC1 ZINC001593944041 956309362 /nfs/dbraw/zinc/30/93/62/956309362.db2.gz YBCXHELTUFUKHO-CQSZACIVSA-N -1 0 316.354 -0.475 20 0 DBADRM C[C@@](O)(CO)CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001589147697 956312657 /nfs/dbraw/zinc/31/26/57/956312657.db2.gz JTCKRMMWLUFGQL-DOMZBBRYSA-N -1 0 321.333 -0.435 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N(C)CCC(=O)[O-] ZINC001589148147 956319177 /nfs/dbraw/zinc/31/91/77/956319177.db2.gz YXUNKQJWFQSCHK-JOYOIKCWSA-N -1 0 300.355 -0.025 20 0 DBADRM CO[C@]1(CNC(=O)NCCCCC(=O)[O-])CCS(=O)(=O)C1 ZINC001593945524 956323977 /nfs/dbraw/zinc/32/39/77/956323977.db2.gz ACHJQPOTKIKWMK-LBPRGKRZSA-N -1 0 322.383 -0.256 20 0 DBADRM CO[C@@]1(CNC(=O)NCCCCC(=O)[O-])CCS(=O)(=O)C1 ZINC001593945523 956324142 /nfs/dbraw/zinc/32/41/42/956324142.db2.gz ACHJQPOTKIKWMK-GFCCVEGCSA-N -1 0 322.383 -0.256 20 0 DBADRM COC1(CO)CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001593945879 956328285 /nfs/dbraw/zinc/32/82/85/956328285.db2.gz PRKKQADDFQBPCQ-UHFFFAOYSA-N -1 0 301.339 -0.132 20 0 DBADRM C[C@H](O)CN(C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589152679 956339476 /nfs/dbraw/zinc/33/94/76/956339476.db2.gz RXKGWLPFHBUYEB-UWVGGRQHSA-N -1 0 301.343 -0.526 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CCO1 ZINC001589153333 956347671 /nfs/dbraw/zinc/34/76/71/956347671.db2.gz PMTDABQPHBZAAW-JOYOIKCWSA-N -1 0 322.317 -0.069 20 0 DBADRM COC1(OC)CCN(C(=O)c2ccc(C(=O)[O-])cn2)C[C@H]1O ZINC001593948220 956351120 /nfs/dbraw/zinc/35/11/20/956351120.db2.gz VXFBDEDUABNNJP-LLVKDONJSA-N -1 0 310.306 -0.024 20 0 DBADRM COC1(c2cnnn2C)CN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)C1 ZINC001593948445 956352268 /nfs/dbraw/zinc/35/22/68/956352268.db2.gz ZRRIEQSUCZMDKU-AWEZNQCLSA-N -1 0 308.338 0.000 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)NC2(CC(=O)[O-])CCOCC2)nn1 ZINC001589154492 956364121 /nfs/dbraw/zinc/36/41/21/956364121.db2.gz VQKXIMRLSLRITB-SECBINFHSA-N -1 0 312.326 -0.529 20 0 DBADRM NC(=O)[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1ccc(F)cc1 ZINC001594636056 956373539 /nfs/dbraw/zinc/37/35/39/956373539.db2.gz AQOQFLCBARHILI-VHSXEESVSA-N -1 0 309.253 -0.302 20 0 DBADRM CO[C@H]1COCC[C@@H]1CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593950572 956377170 /nfs/dbraw/zinc/37/71/70/956377170.db2.gz CACVLTNFRVWXRA-MCYUEQNJSA-N -1 0 313.350 -0.012 20 0 DBADRM C[C@@H](OC(=O)CCCC(=O)[O-])C(=O)N1CCC(C(N)=O)CC1 ZINC001589157157 956378971 /nfs/dbraw/zinc/37/89/71/956378971.db2.gz YBFVMLDXWFLSPJ-SECBINFHSA-N -1 0 314.338 -0.103 20 0 DBADRM CO[C@@H]1COCC[C@H]1CNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001593950695 956379588 /nfs/dbraw/zinc/37/95/88/956379588.db2.gz FRJWLISQOXDLFJ-GARJFASQSA-N -1 0 302.327 -0.467 20 0 DBADRM NC(=O)[C@H](C1CC1)N(CCS(=O)(=O)CC(=O)[O-])CC1CC1 ZINC001594637074 956380567 /nfs/dbraw/zinc/38/05/67/956380567.db2.gz UOKGJHKGKYRRNW-LBPRGKRZSA-N -1 0 318.395 -0.538 20 0 DBADRM C[C@@H](OC(=O)C(C)(C)C(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001589158190 956380568 /nfs/dbraw/zinc/38/05/68/956380568.db2.gz CRFROSHUNOXELZ-HTQZYQBOSA-N -1 0 321.351 -0.668 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001589158180 956380742 /nfs/dbraw/zinc/38/07/42/956380742.db2.gz CIULZDXTXIQNQO-VGMNWLOBSA-N -1 0 300.311 -0.637 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC001593950978 956384059 /nfs/dbraw/zinc/38/40/59/956384059.db2.gz IIVKKYSCIDZVDA-KXUCPTDWSA-N -1 0 302.327 -0.914 20 0 DBADRM NC(=O)C1(NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC001594637841 956385752 /nfs/dbraw/zinc/38/57/52/956385752.db2.gz BZHVOMPDEQZMED-UHFFFAOYSA-N -1 0 305.290 -0.614 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593951234 956387227 /nfs/dbraw/zinc/38/72/27/956387227.db2.gz LUXDHQWGRRDHSK-GWOFURMSSA-N -1 0 314.338 -0.772 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])CC[C@H]1C ZINC001593951434 956391520 /nfs/dbraw/zinc/39/15/20/956391520.db2.gz PPTLOCADXHEHBI-NXEZZACHSA-N -1 0 302.327 -0.913 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)O1 ZINC001594638308 956393028 /nfs/dbraw/zinc/39/30/28/956393028.db2.gz NDKKTIJDDMEQAM-YTWAJWBKSA-N -1 0 314.338 -0.595 20 0 DBADRM NC(=O)C[C@@H]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC001594638548 956394230 /nfs/dbraw/zinc/39/42/30/956394230.db2.gz LYXJMGAIELLINQ-JTQLQIEISA-N -1 0 313.354 -0.225 20 0 DBADRM NC(=O)C1(O)CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001594638578 956396084 /nfs/dbraw/zinc/39/60/84/956396084.db2.gz OEXQJYWLPUZTTA-UHFFFAOYSA-N -1 0 307.306 -0.232 20 0 DBADRM CO[C@H]1COCC[C@@H]1N(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593951897 956398739 /nfs/dbraw/zinc/39/87/39/956398739.db2.gz UYOFOYVWWCREFK-DCAQKATOSA-N -1 0 322.383 -0.484 20 0 DBADRM NC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594639207 956401797 /nfs/dbraw/zinc/40/17/97/956401797.db2.gz ROECVQKNHMAANX-AXFHLTTASA-N -1 0 314.338 -0.641 20 0 DBADRM NC(=O)C12CCC(CC1)N2C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001594639184 956402058 /nfs/dbraw/zinc/40/20/58/956402058.db2.gz WCNSQIGJNRRNDD-VOZQYIJBSA-N -1 0 323.349 -0.682 20 0 DBADRM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001594639232 956402161 /nfs/dbraw/zinc/40/21/61/956402161.db2.gz TYBIIWZOPBDFOY-RYUDHWBXSA-N -1 0 317.301 -0.173 20 0 DBADRM COC[C@H](C)CNC(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001593955057 956421693 /nfs/dbraw/zinc/42/16/93/956421693.db2.gz XCGUFHDPHBOBJB-ZWNOBZJWSA-N -1 0 304.343 -0.220 20 0 DBADRM NC(=O)C[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)c1ccccc1 ZINC001594642071 956427650 /nfs/dbraw/zinc/42/76/50/956427650.db2.gz FHHYPDZBASYJMP-SNVBAGLBSA-N -1 0 317.305 -0.291 20 0 DBADRM NC(=O)CSCC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594642294 956428428 /nfs/dbraw/zinc/42/84/28/956428428.db2.gz MGVIBJFGHHZZRF-XQVHRTOBSA-N -1 0 316.379 -0.267 20 0 DBADRM NC(=O)Cn1cc(C(=O)N2CCC(CCC(=O)[O-])CC2)nn1 ZINC001594642469 956429982 /nfs/dbraw/zinc/42/99/82/956429982.db2.gz QYRUTAPPRSZAQA-UHFFFAOYSA-N -1 0 309.326 -0.520 20 0 DBADRM COC[C@H](C)OC[C@H](O)CN1CCO[C@](COC)(C(=O)[O-])C1 ZINC001593956421 956430497 /nfs/dbraw/zinc/43/04/97/956430497.db2.gz WIRIQTCVGBNOFQ-OUCADQQQSA-N -1 0 321.370 -0.799 20 0 DBADRM NC(=O)NC(=O)C1CCC(NC(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001594644283 956432567 /nfs/dbraw/zinc/43/25/67/956432567.db2.gz CMMDUBOZDLZXDX-RTBKNWGFSA-N -1 0 311.338 -0.033 20 0 DBADRM COC[C@@H](NC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1)C1CC1 ZINC001593956601 956434434 /nfs/dbraw/zinc/43/44/34/956434434.db2.gz FFXHTNNRPCOKBQ-RISCZKNCSA-N -1 0 316.354 -0.077 20 0 DBADRM O=C([O-])c1cccc(C(=O)NCCC(=O)N2CCOCC2)n1 ZINC000388632903 972183738 /nfs/dbraw/zinc/18/37/38/972183738.db2.gz LJKJZOKNNUJNAU-UHFFFAOYSA-N -1 0 307.306 -0.242 20 0 DBADRM NC(=O)Cn1cc(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)cn1 ZINC001594645103 956435792 /nfs/dbraw/zinc/43/57/92/956435792.db2.gz NIKTWPLUPLTGSR-WCBMZHEXSA-N -1 0 310.310 -0.423 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)NC2(CC(=O)[O-])CCOCC2)C1 ZINC001594645563 956437369 /nfs/dbraw/zinc/43/73/69/956437369.db2.gz QWBWUMISHTVZLD-JTQLQIEISA-N -1 0 313.354 -0.083 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594645970 956440028 /nfs/dbraw/zinc/44/00/28/956440028.db2.gz YQCSVSSFPKYJKH-GARJFASQSA-N -1 0 307.306 -0.555 20 0 DBADRM COC[C@H](Cn1nnnc1N1CC[C@@H](C)[C@H](C(=O)[O-])C1)OC ZINC001593957007 956440038 /nfs/dbraw/zinc/44/00/38/956440038.db2.gz OCQZCPWMDLDVJQ-OUAUKWLOSA-N -1 0 313.358 -0.119 20 0 DBADRM COC[C@@H](CCNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)OC ZINC001593957104 956441931 /nfs/dbraw/zinc/44/19/31/956441931.db2.gz ADBHGFBRTUDIEE-GHMZBOCLSA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@H](SCC(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC001589168531 956444261 /nfs/dbraw/zinc/44/42/61/956444261.db2.gz GXRRXAIFNISDSZ-VIFPVBQESA-N -1 0 304.368 -0.490 20 0 DBADRM COC[C@H](O)CCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001593957692 956450615 /nfs/dbraw/zinc/45/06/15/956450615.db2.gz SKFUMDROEZBHPU-SNVBAGLBSA-N -1 0 304.343 -0.436 20 0 DBADRM COC[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C(C)C ZINC001593957795 956452957 /nfs/dbraw/zinc/45/29/57/956452957.db2.gz ZRKCAONZGKUCFK-SECBINFHSA-N -1 0 312.326 -0.307 20 0 DBADRM COC[C@H](CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1)OC ZINC001593957902 956454251 /nfs/dbraw/zinc/45/42/51/956454251.db2.gz NJYATHJZFHSVSJ-JTQLQIEISA-N -1 0 311.294 -0.504 20 0 DBADRM COCC(COC)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001593958293 956460197 /nfs/dbraw/zinc/46/01/97/956460197.db2.gz WSHUHUCEEMLMGX-SNVBAGLBSA-N -1 0 321.355 -0.873 20 0 DBADRM NC(=O)c1ccc(C(=O)NCCOCCOCC(=O)[O-])nc1 ZINC001594649984 956466027 /nfs/dbraw/zinc/46/60/27/956466027.db2.gz UQPXESDMAAOADQ-UHFFFAOYSA-N -1 0 311.294 -0.972 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@H](O)Cc2cnn(C)c2)C1 ZINC001593960187 956481062 /nfs/dbraw/zinc/48/10/62/956481062.db2.gz PFXXSWPNRRWWHL-BXUZGUMPSA-N -1 0 311.338 -0.727 20 0 DBADRM NC(=O)c1cn(C2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)nn1 ZINC001594653107 956484851 /nfs/dbraw/zinc/48/48/51/956484851.db2.gz DFOHZODZQQENIK-UHFFFAOYSA-N -1 0 307.310 -0.595 20 0 DBADRM NC(=O)c1cnc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC001594653484 956487092 /nfs/dbraw/zinc/48/70/92/956487092.db2.gz NUUAQXHLZQDOIF-YFKPBYRVSA-N -1 0 300.296 -0.441 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001594653797 956491222 /nfs/dbraw/zinc/49/12/22/956491222.db2.gz FLJVVZBAZXVGNA-CABZTGNLSA-N -1 0 320.367 -0.853 20 0 DBADRM C[C@@H](c1ccccn1)N(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001589175363 956495499 /nfs/dbraw/zinc/49/54/99/956495499.db2.gz AJGOKDKXSCZSKP-JQWIXIFHSA-N -1 0 321.333 -0.087 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC001594654249 956495831 /nfs/dbraw/zinc/49/58/31/956495831.db2.gz NQFWEWGIHLKLLV-OPRDCNLKSA-N -1 0 304.368 -0.376 20 0 DBADRM C[C@H](c1ccccn1)N(C)C(=O)C(=O)NCCOCC(=O)[O-] ZINC001589175393 956497012 /nfs/dbraw/zinc/49/70/12/956497012.db2.gz BYALVJYYBSDMKB-SNVBAGLBSA-N -1 0 309.322 -0.182 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)Cn2cc([C@@H](C)O)nn2)C1 ZINC001593962271 956499823 /nfs/dbraw/zinc/49/98/23/956499823.db2.gz DTQCLHJHRRQULQ-RNCFNFMXSA-N -1 0 312.326 -0.719 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCc2nnnn2C2CC2)C1 ZINC001593962421 956500814 /nfs/dbraw/zinc/50/08/14/956500814.db2.gz RHBJQJYMPVIRJJ-CYBMUJFWSA-N -1 0 324.341 -0.359 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@@]2(C(=O)[O-])CCCO2)cs1 ZINC001594654877 956500925 /nfs/dbraw/zinc/50/09/25/956500925.db2.gz CSPHOOHGYDTQHK-SNVBAGLBSA-N -1 0 320.348 -0.032 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)Nc2cc(=O)n(C)cn2)C1 ZINC001593962408 956500948 /nfs/dbraw/zinc/50/09/48/956500948.db2.gz QLAJOTSJJAAODL-ZDUSSCGKSA-N -1 0 310.310 -0.265 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)Nc2cc(=O)n(C)cn2)C1 ZINC001593962406 956501221 /nfs/dbraw/zinc/50/12/21/956501221.db2.gz QLAJOTSJJAAODL-CYBMUJFWSA-N -1 0 310.310 -0.265 20 0 DBADRM NS(=O)(=O)CCCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001594657043 956506383 /nfs/dbraw/zinc/50/63/83/956506383.db2.gz AGVAATQNNPTIHF-VHSXEESVSA-N -1 0 304.368 -0.376 20 0 DBADRM NS(=O)(=O)Cc1cccc(CNC(=O)COCC(=O)[O-])c1 ZINC001594657861 956509898 /nfs/dbraw/zinc/50/98/98/956509898.db2.gz OKEYFKRXQQUXMS-UHFFFAOYSA-N -1 0 316.335 -0.808 20 0 DBADRM N#Cc1cccc(S(=O)(=O)CCN2C[C@@H](O)C[C@H]2C(=O)[O-])c1 ZINC000388753676 972189918 /nfs/dbraw/zinc/18/99/18/972189918.db2.gz DSMDSNNYNURJHT-AAEUAGOBSA-N -1 0 324.358 -0.148 20 0 DBADRM N#Cc1cccc(S(=O)(=O)CCN2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000388753694 972190036 /nfs/dbraw/zinc/19/00/36/972190036.db2.gz DSMDSNNYNURJHT-YPMHNXCESA-N -1 0 324.358 -0.148 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NC2CN(C(=O)OC)C2)C1 ZINC001593963211 956513779 /nfs/dbraw/zinc/51/37/79/956513779.db2.gz LULFASVVKQYBAN-ZDUSSCGKSA-N -1 0 315.326 -0.430 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N2CC(C(=O)[O-])C2)s1 ZINC001594661567 956540869 /nfs/dbraw/zinc/54/08/69/956540869.db2.gz WRVPOTBQBOXFDW-UHFFFAOYSA-N -1 0 304.349 -0.519 20 0 DBADRM C[C@H](c1nnc(N2CC[C@H](C(=O)[O-])C2)n1C)S(C)(=O)=O ZINC001589182958 956544366 /nfs/dbraw/zinc/54/43/66/956544366.db2.gz WFDQUUQRIIFEKJ-SFYZADRCSA-N -1 0 302.356 -0.168 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@](O)(C(F)F)C2)C1 ZINC001589186693 956559535 /nfs/dbraw/zinc/55/95/35/956559535.db2.gz AKHIIAPUYCKBIY-CHWSQXEVSA-N -1 0 320.292 -0.462 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C)nn2)C1 ZINC001593967223 956567607 /nfs/dbraw/zinc/56/76/07/956567607.db2.gz GJQFQSNBHRVHID-GFCCVEGCSA-N -1 0 315.351 -0.103 20 0 DBADRM COC[C@@]1(C(=O)[O-])CC[N@@H+]([C@@H]2CS(=O)(=O)C[C@@H]2OC)C1 ZINC001593967604 956573186 /nfs/dbraw/zinc/57/31/86/956573186.db2.gz KBGIOHTWXFCQDA-JFGNBEQYSA-N -1 0 307.368 -0.779 20 0 DBADRM Nc1ccnn1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC001594666135 956576288 /nfs/dbraw/zinc/57/62/88/956576288.db2.gz DXEAUDODOFRAFL-NSHDSACASA-N -1 0 304.306 -0.017 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCCn2cccn2)C1 ZINC001589188272 956577750 /nfs/dbraw/zinc/57/77/50/956577750.db2.gz WOBFTOOZWLBEEM-CQSZACIVSA-N -1 0 308.338 -0.287 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCCn2cccn2)C1 ZINC001589188271 956577930 /nfs/dbraw/zinc/57/79/30/956577930.db2.gz WOBFTOOZWLBEEM-AWEZNQCLSA-N -1 0 308.338 -0.287 20 0 DBADRM Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001594666443 956579238 /nfs/dbraw/zinc/57/92/38/956579238.db2.gz NBEYVMKSSYGIQA-JTQLQIEISA-N -1 0 321.337 -0.476 20 0 DBADRM Nc1nnc(CC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])s1 ZINC001594667544 956591268 /nfs/dbraw/zinc/59/12/68/956591268.db2.gz LSTURQBVUSCUDN-QMMMGPOBSA-N -1 0 307.335 -0.130 20 0 DBADRM Nc1nnc([C@H]2CCCN([C@@H]3CCN(CC(=O)[O-])C3=O)C2)o1 ZINC001594668404 956598824 /nfs/dbraw/zinc/59/88/24/956598824.db2.gz WDRPNDOILKVSQS-DTWKUNHWSA-N -1 0 309.326 -0.483 20 0 DBADRM Nc1n[nH]c(C2CCN(C(=O)[C@@H]3CC(C(=O)[O-])=NO3)CC2)n1 ZINC001594668658 956600746 /nfs/dbraw/zinc/60/07/46/956600746.db2.gz XQWGOEUKCANYRT-QMMMGPOBSA-N -1 0 308.298 -0.678 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCCCC(=O)OC)CCO1 ZINC001593970090 956600844 /nfs/dbraw/zinc/60/08/44/956600844.db2.gz BNYKHZGWGOGSIN-ZDUSSCGKSA-N -1 0 318.326 -0.549 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H](C)c2cncnc2)CCO1 ZINC001593970143 956602002 /nfs/dbraw/zinc/60/20/02/956602002.db2.gz JRHBFVVMKXBFOF-YGRLFVJLSA-N -1 0 309.322 -0.091 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001589196782 956617726 /nfs/dbraw/zinc/61/77/26/956617726.db2.gz XDGZMXSOEYXKLG-JTQLQIEISA-N -1 0 304.253 -0.244 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)CCO1 ZINC001593971413 956621999 /nfs/dbraw/zinc/62/19/99/956621999.db2.gz GCWOYPFPEHPIHZ-MYQWFSQQSA-N -1 0 311.334 -0.070 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C[C@H]2CCCC(=O)N2)CCO1 ZINC001593971431 956622791 /nfs/dbraw/zinc/62/27/91/956622791.db2.gz GKWWNTJMEVTLFD-YGRLFVJLSA-N -1 0 314.338 -0.626 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001589200755 956632220 /nfs/dbraw/zinc/63/22/20/956632220.db2.gz ANHLMRWQFNNAKA-SECBINFHSA-N -1 0 324.377 -0.167 20 0 DBADRM CC1(C(N)=O)CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001589202438 956641936 /nfs/dbraw/zinc/64/19/36/956641936.db2.gz BLFFSGCHTIDPTC-UHFFFAOYSA-N -1 0 305.290 -0.343 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C2(OC)CCOCC2)CCO1 ZINC001593973662 956644776 /nfs/dbraw/zinc/64/47/76/956644776.db2.gz OMFWZZXYTFPRGB-AWEZNQCLSA-N -1 0 317.338 -0.489 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCc3nncn3C2)CCO1 ZINC001593974636 956653949 /nfs/dbraw/zinc/65/39/49/956653949.db2.gz RJLCMGDJBUZAHP-QMTHXVAHSA-N -1 0 324.337 -0.831 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H](C)c2cnccn2)CCO1 ZINC001593975519 956661746 /nfs/dbraw/zinc/66/17/46/956661746.db2.gz QTEZWZBABXMSOH-IINYFYTJSA-N -1 0 309.322 -0.091 20 0 DBADRM O=C(C[C@H]1CCCS(=O)(=O)C1)N[C@@]1(C(=O)[O-])CCOC1 ZINC001594677162 956668584 /nfs/dbraw/zinc/66/85/84/956668584.db2.gz HVPNCTBQIPROPR-SKDRFNHKSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])C1(CNC(=O)CC2(O)CCOCC2)CCOCC1 ZINC001594678515 956680242 /nfs/dbraw/zinc/68/02/42/956680242.db2.gz VDVBYPZMURQKKV-UHFFFAOYSA-N -1 0 301.339 -0.084 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001589211409 956691675 /nfs/dbraw/zinc/69/16/75/956691675.db2.gz KWQAMKZRJUQGDH-PRHODGIISA-N -1 0 304.368 -0.376 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cc(C=O)n(C)n2)CCO1 ZINC001593979524 956701844 /nfs/dbraw/zinc/70/18/44/956701844.db2.gz BEAHOWGBENOSMJ-CYBMUJFWSA-N -1 0 311.294 -0.825 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001589212898 956709026 /nfs/dbraw/zinc/70/90/26/956709026.db2.gz NUYRLYBTIGNSQL-GJZGRUSLSA-N -1 0 312.366 -0.607 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2nc(C)ns2)CCO1 ZINC001593981926 956717367 /nfs/dbraw/zinc/71/73/67/956717367.db2.gz CNKWNIRVUFTZNB-LLVKDONJSA-N -1 0 301.324 -0.211 20 0 DBADRM CC1(C)C[C@](C)(NC(=O)N2CCO[C@H](C(=O)[O-])C2)C(=O)O1 ZINC001589214023 956721272 /nfs/dbraw/zinc/72/12/72/956721272.db2.gz MNKXNRIWYRERGQ-SDBXPKJASA-N -1 0 300.311 -0.034 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN([C@@H](C)C(=O)NCC(C)C)CCO1 ZINC001593982817 956723561 /nfs/dbraw/zinc/72/35/61/956723561.db2.gz JHQMPRXVCHPMON-SMDDNHRTSA-N -1 0 302.371 -0.051 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cnn3cccnc23)CCO1 ZINC001593982818 956723625 /nfs/dbraw/zinc/72/36/25/956723625.db2.gz JJTGQMYHUALQOD-AWEZNQCLSA-N -1 0 320.305 -0.329 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2ccnc3ccnn32)CCO1 ZINC001593982869 956724768 /nfs/dbraw/zinc/72/47/68/956724768.db2.gz JYDZATRWUPHGGI-AWEZNQCLSA-N -1 0 320.305 -0.329 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(Cc2ncnn2CCF)CCO1 ZINC001593983077 956726687 /nfs/dbraw/zinc/72/66/87/956726687.db2.gz FMPFTAOXUUVGSG-LBPRGKRZSA-N -1 0 302.306 -0.450 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cn(C)c(C)cc2=O)CCO1 ZINC001593983340 956729191 /nfs/dbraw/zinc/72/91/91/956729191.db2.gz NMJCUYHRIKKSDP-OAHLLOKOSA-N -1 0 324.333 -0.364 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001589217047 956729902 /nfs/dbraw/zinc/72/99/02/956729902.db2.gz DAMSBMHDXQFQAM-RYUDHWBXSA-N -1 0 305.352 -0.847 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NC[C@@]1(OCCO)CCOC1 ZINC001589217100 956731447 /nfs/dbraw/zinc/73/14/47/956731447.db2.gz HCECSEPZWGJJTF-UONOGXRCSA-N -1 0 301.339 -0.229 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2ccnc(CO)c2)CCO1 ZINC001593983530 956732127 /nfs/dbraw/zinc/73/21/27/956732127.db2.gz PCXZQZAHTXFDEN-CQSZACIVSA-N -1 0 310.306 -0.484 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2cc(C)nc3ncnn32)CCO1 ZINC001593984026 956741932 /nfs/dbraw/zinc/74/19/32/956741932.db2.gz DWDNZMWDOPCTDS-CYBMUJFWSA-N -1 0 307.310 -0.261 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(Cc2[nH]nc3c2COCC3)CCO1 ZINC001593984043 956741957 /nfs/dbraw/zinc/74/19/57/956741957.db2.gz NITJOSSCRWLNGN-AWEZNQCLSA-N -1 0 311.338 -0.216 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2nnnn2CC2CC=CC2)CCO1 ZINC001593984420 956748339 /nfs/dbraw/zinc/74/83/39/956748339.db2.gz ITIUVRIFXQBFQJ-CQSZACIVSA-N -1 0 323.353 -0.054 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1C(=O)CNC1=O)c1ccc(F)cc1 ZINC001594691501 956752676 /nfs/dbraw/zinc/75/26/76/956752676.db2.gz MSMAYABJTQEJST-LLVKDONJSA-N -1 0 309.253 -0.381 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CCn1cnccc1=O)C2 ZINC001594691893 956753644 /nfs/dbraw/zinc/75/36/44/956753644.db2.gz UKWLADJMRLVOGC-HZMBPMFUSA-N -1 0 307.306 -0.807 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2cncc(-n3cccn3)n2)CCO1 ZINC001593984962 956759405 /nfs/dbraw/zinc/75/94/05/956759405.db2.gz NXBDBWADKRMFQE-AWEZNQCLSA-N -1 0 319.321 -0.031 20 0 DBADRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCCNC1=O ZINC001594692600 956759517 /nfs/dbraw/zinc/75/95/17/956759517.db2.gz YOLITLMVQCISBF-LBPRGKRZSA-N -1 0 321.333 -0.081 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)CCO1 ZINC001593985316 956766745 /nfs/dbraw/zinc/76/67/45/956766745.db2.gz WTTFLVYKFRUPMA-FOGDFJRCSA-N -1 0 323.367 -0.704 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC(=O)N1CCCC1)C2 ZINC001594695821 956769469 /nfs/dbraw/zinc/76/94/69/956769469.db2.gz OPSBUPZHRQDALQ-HZMBPMFUSA-N -1 0 311.338 -0.649 20 0 DBADRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCOC1=O ZINC001594695856 956769996 /nfs/dbraw/zinc/76/99/96/956769996.db2.gz AZNHKVXCOLGQNB-NSHDSACASA-N -1 0 308.290 -0.044 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2[C@H]2C=CCC2)CCO1 ZINC001593985765 956774978 /nfs/dbraw/zinc/77/49/78/956774978.db2.gz VDTDYXLZIJKEOG-GWCFXTLKSA-N -1 0 309.326 -0.129 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CCN2CCO[C@@H](C)C2)CCO1 ZINC001593986355 956788815 /nfs/dbraw/zinc/78/88/15/956788815.db2.gz ULXWEYRJKDBVGE-GXTWGEPZSA-N -1 0 302.371 -0.491 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CCN2CCO[C@H](C)C2)CCO1 ZINC001593986358 956789116 /nfs/dbraw/zinc/78/91/16/956789116.db2.gz ULXWEYRJKDBVGE-TZMCWYRMSA-N -1 0 302.371 -0.491 20 0 DBADRM O=C([O-])C1(CNC(=O)CNC(=O)c2ccncc2)CCOCC1 ZINC001594697644 956789276 /nfs/dbraw/zinc/78/92/76/956789276.db2.gz MICIVAXIAHADSH-UHFFFAOYSA-N -1 0 321.333 -0.191 20 0 DBADRM CC1(C)CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCS1(=O)=O ZINC001589226216 956797988 /nfs/dbraw/zinc/79/79/88/956797988.db2.gz FHVNHERWEUEDGR-VIFPVBQESA-N -1 0 318.351 -0.358 20 0 DBADRM CC1(C)CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C[C@H]1O ZINC001589227068 956808592 /nfs/dbraw/zinc/80/85/92/956808592.db2.gz OVQDACSYXKRMOM-SNVBAGLBSA-N -1 0 307.306 -0.052 20 0 DBADRM CC1(C)CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CC[C@@H]1O ZINC001589227253 956809913 /nfs/dbraw/zinc/80/99/13/956809913.db2.gz SAZONPNOESXHMY-VIFPVBQESA-N -1 0 324.337 -0.474 20 0 DBADRM COCC1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC001593989284 956816336 /nfs/dbraw/zinc/81/63/36/956816336.db2.gz FPUUYWHHCLGLKR-LLVKDONJSA-N -1 0 314.338 -0.817 20 0 DBADRM COCC[C@@H](C)NC(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001593990072 956829752 /nfs/dbraw/zinc/82/97/52/956829752.db2.gz SGUWWUWWALRXMQ-ZWNOBZJWSA-N -1 0 304.343 -0.077 20 0 DBADRM CC1([C@@]2(C)NC(=O)N(CCS(=O)(=O)CC(=O)[O-])C2=O)CC1 ZINC001589238514 956849699 /nfs/dbraw/zinc/84/96/99/956849699.db2.gz UGWRZTOMSYZTSU-LBPRGKRZSA-N -1 0 318.351 -0.404 20 0 DBADRM CC1(C)O[C@@H]2C[C@@H](NC(=O)c3cn(CC(=O)[O-])nn3)C[C@@H]2O1 ZINC001589238709 956850492 /nfs/dbraw/zinc/85/04/92/956850492.db2.gz XSKZZYBUPOUTGC-SLGCYQGISA-N -1 0 310.310 -0.225 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1=O ZINC001589239064 956855352 /nfs/dbraw/zinc/85/53/52/956855352.db2.gz BWBIVNINYDEHRS-UKXBGOPOSA-N -1 0 309.322 -0.314 20 0 DBADRM COCCC1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001593993467 956861065 /nfs/dbraw/zinc/86/10/65/956861065.db2.gz WTTOFKSWKSNYLX-UHFFFAOYSA-N -1 0 310.310 -0.599 20 0 DBADRM COCCCN(CCO)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001593993676 956863711 /nfs/dbraw/zinc/86/37/11/956863711.db2.gz OUYNTKUNMDMHJU-UHFFFAOYSA-N -1 0 324.399 -0.641 20 0 DBADRM O=C([O-])c1ccccc1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001594709740 956867803 /nfs/dbraw/zinc/86/78/03/956867803.db2.gz KQZVHRQALAVJRV-GHMZBOCLSA-N -1 0 313.331 -0.799 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)O1 ZINC001589240198 956875947 /nfs/dbraw/zinc/87/59/47/956875947.db2.gz NPTWABQQCUBYPZ-RBZYPMLTSA-N -1 0 314.338 -0.120 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001593996826 956901332 /nfs/dbraw/zinc/90/13/32/956901332.db2.gz YIMBLTLGQBBDPR-JTQLQIEISA-N -1 0 319.379 -0.239 20 0 DBADRM COCCN(CC(=O)NCC(=O)[O-])Cc1c(C)nn(C)c1C ZINC001593997061 956904152 /nfs/dbraw/zinc/90/41/52/956904152.db2.gz BAEZZADILQNXCJ-UHFFFAOYSA-N -1 0 312.370 -0.314 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@](C)(O)Cn1ccccc1=O ZINC001593997299 956906103 /nfs/dbraw/zinc/90/61/03/956906103.db2.gz NGYXECZWKZULKD-CQSZACIVSA-N -1 0 312.322 -0.841 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)Cn1cccnc1=O)O2 ZINC001594714470 956911165 /nfs/dbraw/zinc/91/11/65/956911165.db2.gz XBSOPOBDVYXOSD-LOIXOFCESA-N -1 0 321.333 -0.228 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cnc2ccc(OC)nn21 ZINC001593998747 956912292 /nfs/dbraw/zinc/91/22/92/956912292.db2.gz FTRIOWYAPUMTTB-UHFFFAOYSA-N -1 0 308.294 -0.089 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001589245860 956916730 /nfs/dbraw/zinc/91/67/30/956916730.db2.gz SXAFPDDXQPDMSF-FBKDDSFISA-N -1 0 301.339 -0.400 20 0 DBADRM CC1(CO)CCN(C(=O)NCCOCCOCC(=O)[O-])CC1 ZINC001589245856 956917090 /nfs/dbraw/zinc/91/70/90/956917090.db2.gz SWUGOJGWNYCVKT-UHFFFAOYSA-N -1 0 318.370 -0.092 20 0 DBADRM CC1(CS(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)CCOCC1 ZINC001589246065 956919953 /nfs/dbraw/zinc/91/99/53/956919953.db2.gz XTQJYKZUXUXJDR-LBPRGKRZSA-N -1 0 307.368 -0.034 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC001594000804 956927005 /nfs/dbraw/zinc/92/70/05/956927005.db2.gz FDFOWDHBTXGONK-GARJFASQSA-N -1 0 316.354 -0.382 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CCOC[C@H]1C ZINC001594000800 956927679 /nfs/dbraw/zinc/92/76/79/956927679.db2.gz FAZQEUAXDUDEEB-GHMZBOCLSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CCOC[C@H]1C ZINC001594000801 956927731 /nfs/dbraw/zinc/92/77/31/956927731.db2.gz FAZQEUAXDUDEEB-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@H](C)[C@H]1CO ZINC001594001132 956930507 /nfs/dbraw/zinc/93/05/07/956930507.db2.gz LUMUPAUINNLMMK-WDEREUQCSA-N -1 0 316.354 -0.835 20 0 DBADRM C[C@]1(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001589246592 956930799 /nfs/dbraw/zinc/93/07/99/956930799.db2.gz RAQZTUHNTYUWQZ-CWSCBRNRSA-N -1 0 319.379 -0.050 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O ZINC001594002053 956937409 /nfs/dbraw/zinc/93/74/09/956937409.db2.gz ZRVMMYUMUUDEDQ-BXKDBHETSA-N -1 0 316.354 -0.788 20 0 DBADRM CC1(Cn2cc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)nn2)COC1 ZINC001589248048 956950073 /nfs/dbraw/zinc/95/00/73/956950073.db2.gz XYMBYYCNUNKTFP-ZDUSSCGKSA-N -1 0 310.310 -0.712 20 0 DBADRM C[C@]1(O)CCCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001589249678 956951895 /nfs/dbraw/zinc/95/18/95/956951895.db2.gz CRIAHRMTIVIEAA-LBPRGKRZSA-N -1 0 319.379 -0.361 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCCS(=O)(=O)C1CC1 ZINC001594004920 956957028 /nfs/dbraw/zinc/95/70/28/956957028.db2.gz HRWSKSRIIHDXDV-UHFFFAOYSA-N -1 0 322.383 -0.304 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NC[C@]1(C)CCC(=O)N1 ZINC001594005170 956961269 /nfs/dbraw/zinc/96/12/69/956961269.db2.gz NNDOVSINYRQGER-ZDUSSCGKSA-N -1 0 301.343 -0.212 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCC[C@@H]1CC(=O)N(C)C1 ZINC001594005678 956970897 /nfs/dbraw/zinc/97/08/97/956970897.db2.gz VQDNZWUFUAYWOJ-LLVKDONJSA-N -1 0 315.370 -0.013 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCCCN1CCOC1=O ZINC001594005833 956973888 /nfs/dbraw/zinc/97/38/88/956973888.db2.gz ZLOBWMRNRCWEHR-UHFFFAOYSA-N -1 0 317.342 -0.039 20 0 DBADRM C[C@]12CN(C(=O)[C@@]3(C(=O)[O-])CCCO3)C[C@]1(C)C(=O)NC2=O ZINC001589254954 956982543 /nfs/dbraw/zinc/98/25/43/956982543.db2.gz NGWVMAGNSVUHGD-MGPQQGTHSA-N -1 0 310.306 -0.869 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@@H]2CC(c3ccccn3)=NO2)CCOC1 ZINC001594723885 956983847 /nfs/dbraw/zinc/98/38/47/956983847.db2.gz HDYGVIBKKDCPMM-SMDDNHRTSA-N -1 0 305.290 -0.066 20 0 DBADRM CC1=C(C(=O)Nc2ccn(CC(=O)[O-])n2)S(=O)(=O)CCO1 ZINC001589256054 956988715 /nfs/dbraw/zinc/98/87/15/956988715.db2.gz FRXLUTCEYVYNMR-UHFFFAOYSA-N -1 0 315.307 -0.417 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)CCn1ccnc1 ZINC001594011337 957001373 /nfs/dbraw/zinc/00/13/73/957001373.db2.gz JINGCETXPHKVDE-UHFFFAOYSA-N -1 0 305.356 -0.364 20 0 DBADRM CC1=NO[C@H](CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001589256895 957005504 /nfs/dbraw/zinc/00/55/04/957005504.db2.gz NYKJLIUAEPQUHM-VIFPVBQESA-N -1 0 318.351 -0.453 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589256912 957006063 /nfs/dbraw/zinc/00/60/63/957006063.db2.gz OLGJRLDLEMPSBJ-VIFPVBQESA-N -1 0 301.324 -0.403 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC001589256975 957007083 /nfs/dbraw/zinc/00/70/83/957007083.db2.gz QTLAXKDVCNCQTG-VIFPVBQESA-N -1 0 303.340 -0.253 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N(CC(=O)[O-])C1CCC1 ZINC001589257135 957010388 /nfs/dbraw/zinc/01/03/88/957010388.db2.gz XLXGXIRFEBKOLY-UHFFFAOYSA-N -1 0 315.351 -0.013 20 0 DBADRM C[C@@H]1C(=O)N(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)C(=O)N1C ZINC001589258301 957017927 /nfs/dbraw/zinc/01/79/27/957017927.db2.gz HTHREWIAGHKXDY-VGMNWLOBSA-N -1 0 313.310 -0.430 20 0 DBADRM COCCN(CCOC)C1CN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC001594014569 957019170 /nfs/dbraw/zinc/01/91/70/957019170.db2.gz NLYPPSSWMGHKOJ-ZDUSSCGKSA-N -1 0 314.382 -0.097 20 0 DBADRM C[C@H]1C(=O)CCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001589259655 957025852 /nfs/dbraw/zinc/02/58/52/957025852.db2.gz RNPAPAQEFYJPHH-JTQLQIEISA-N -1 0 302.327 -0.133 20 0 DBADRM C[C@@H]1C(=O)CCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001589259656 957026441 /nfs/dbraw/zinc/02/64/41/957026441.db2.gz RNPAPAQEFYJPHH-SNVBAGLBSA-N -1 0 302.327 -0.133 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)Nc2n[nH]nc2C(=O)NC2CC2)C1 ZINC001594730966 957039106 /nfs/dbraw/zinc/03/91/06/957039106.db2.gz HSRHPFOJIRMDLT-LURJTMIESA-N -1 0 308.298 -0.365 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001594017752 957047453 /nfs/dbraw/zinc/04/74/53/957047453.db2.gz BHKURQGTCBBSFZ-JTQLQIEISA-N -1 0 316.354 -0.523 20 0 DBADRM COCCOC[C@@H](C)NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001594017795 957048368 /nfs/dbraw/zinc/04/83/68/957048368.db2.gz DCPWUAQXRXICBE-QMTHXVAHSA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCCCCCC(=O)[O-] ZINC001589262882 957054099 /nfs/dbraw/zinc/05/40/99/957054099.db2.gz APAGNGBWRYCHTB-JTQLQIEISA-N -1 0 313.354 -0.515 20 0 DBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@](C)(OC)C(=O)[O-])C1 ZINC001594018421 957055445 /nfs/dbraw/zinc/05/54/45/957055445.db2.gz DJBUAEMNDBEINO-WDMOLILDSA-N -1 0 319.354 -0.652 20 0 DBADRM C[C@@H]1[C@H](OC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC(=O)N1C ZINC001589262929 957055596 /nfs/dbraw/zinc/05/55/96/957055596.db2.gz CANIGAUETFWBMA-KXUCPTDWSA-N -1 0 312.322 -0.528 20 0 DBADRM C[C@@H]1[C@@H](OC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC(=O)N1C ZINC001589262925 957055853 /nfs/dbraw/zinc/05/58/53/957055853.db2.gz CANIGAUETFWBMA-BBBLOLIVSA-N -1 0 312.322 -0.528 20 0 DBADRM COCCO[C@H]1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001594018547 957058737 /nfs/dbraw/zinc/05/87/37/957058737.db2.gz RWGROTOAYKWHOE-NSHDSACASA-N -1 0 324.333 -0.190 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC001594734687 957059084 /nfs/dbraw/zinc/05/90/84/957059084.db2.gz INLJURYGLPTEEQ-UTUOFQBUSA-N -1 0 310.350 -0.007 20 0 DBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594018781 957061368 /nfs/dbraw/zinc/06/13/68/957061368.db2.gz WYOBERIYLUQRTH-WHOHXGKFSA-N -1 0 316.354 -0.031 20 0 DBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C1 ZINC001594018931 957064054 /nfs/dbraw/zinc/06/40/54/957064054.db2.gz OQXKQSVTSRCWTQ-LPWJVIDDSA-N -1 0 315.366 -0.030 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001589263405 957065722 /nfs/dbraw/zinc/06/57/22/957065722.db2.gz LRTXGXGXEMBCFM-SECBINFHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCC2(COC2)C1)C1CCC1 ZINC001594737232 957082973 /nfs/dbraw/zinc/08/29/73/957082973.db2.gz OJDZMRVSRISEKF-LLVKDONJSA-N -1 0 310.350 -0.148 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000035296082 957203311 /nfs/dbraw/zinc/20/33/11/957203311.db2.gz QUVXARKOLOCYGY-JTQLQIEISA-N -1 0 317.319 -0.874 20 0 DBADRM Cn1ncc(CNc2ccc(S(N)(=O)=O)cc2C(=O)[O-])n1 ZINC000389821650 972249833 /nfs/dbraw/zinc/24/98/33/972249833.db2.gz FKYBJKWNHDOYRX-UHFFFAOYSA-N -1 0 311.323 -0.227 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)cn1 ZINC000035687073 957222036 /nfs/dbraw/zinc/22/20/36/957222036.db2.gz NYCJCNSIONZIQK-UHFFFAOYSA-N -1 0 302.356 -0.799 20 0 DBADRM Cc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)CCC(=O)[O-] ZINC000037048154 957262029 /nfs/dbraw/zinc/26/20/29/957262029.db2.gz SLFVSTZYYVAPTN-UHFFFAOYSA-N -1 0 322.364 -0.141 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000037226233 957266959 /nfs/dbraw/zinc/26/69/59/957266959.db2.gz MWELFKCHQFFICK-QMMMGPOBSA-N -1 0 303.292 -0.803 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N(CC(=O)[O-])C1CC1 ZINC000037588610 957310672 /nfs/dbraw/zinc/31/06/72/957310672.db2.gz AWZGOWVVFWMBLT-UHFFFAOYSA-N -1 0 301.324 -0.638 20 0 DBADRM C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037838276 957334071 /nfs/dbraw/zinc/33/40/71/957334071.db2.gz FIXZEUSBDGYPQW-RQJHMYQMSA-N -1 0 316.339 -0.618 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC000040162526 957360148 /nfs/dbraw/zinc/36/01/48/957360148.db2.gz JRPWUCOMYYSQMB-MWLCHTKSSA-N -1 0 313.331 -0.250 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@]2(C(=O)[O-])CCSC2)CC1=O ZINC000043509175 957433270 /nfs/dbraw/zinc/43/32/70/957433270.db2.gz IIBXMRKRRPBIJM-TVQRCGJNSA-N -1 0 316.379 -0.442 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@@]2(C(=O)[O-])CCSC2)CC1=O ZINC000043509180 957433709 /nfs/dbraw/zinc/43/37/09/957433709.db2.gz IIBXMRKRRPBIJM-ZANVPECISA-N -1 0 316.379 -0.442 20 0 DBADRM COCC[C@@H](NC(=O)[C@H](CCSC)NC(N)=O)C(=O)[O-] ZINC000052784731 957511937 /nfs/dbraw/zinc/51/19/37/957511937.db2.gz VMSJSKOUSLUYQG-JGVFFNPUSA-N -1 0 307.372 -0.618 20 0 DBADRM CN([C@@H]1CCCN(C)C1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000053244898 957518438 /nfs/dbraw/zinc/51/84/38/957518438.db2.gz XUTHWYOYVAFZGL-MRVPVSSYSA-N -1 0 302.356 -0.177 20 0 DBADRM COc1cc(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])ccn1 ZINC000062072431 957598487 /nfs/dbraw/zinc/59/84/87/957598487.db2.gz NYJZZKSNIDOJAH-UHFFFAOYSA-N -1 0 312.307 -0.010 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C[C@@H](O)COc1ccccc1 ZINC000066151553 957645432 /nfs/dbraw/zinc/64/54/32/957645432.db2.gz CXQOEBGLFPIPPM-YPMHNXCESA-N -1 0 308.334 -0.299 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC000069145622 957649704 /nfs/dbraw/zinc/64/97/04/957649704.db2.gz IVAIHFFVVZDSON-DTWKUNHWSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC000069145621 957649775 /nfs/dbraw/zinc/64/97/75/957649775.db2.gz IVAIHFFVVZDSON-BDAKNGLRSA-N -1 0 306.340 -0.941 20 0 DBADRM CC(C)(C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])S(C)(=O)=O ZINC000070127476 957661370 /nfs/dbraw/zinc/66/13/70/957661370.db2.gz HAVACKCUBFNSDB-QMMMGPOBSA-N -1 0 303.340 -0.655 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001594272107 957683984 /nfs/dbraw/zinc/68/39/84/957683984.db2.gz XNHZXEABCWJWIY-SNVBAGLBSA-N -1 0 307.306 -0.292 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)nn1 ZINC001574742811 957689130 /nfs/dbraw/zinc/68/91/30/957689130.db2.gz BZCMLZHLGBQWIN-MRVPVSSYSA-N -1 0 309.282 -0.924 20 0 DBADRM COCCn1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)n1 ZINC001594024964 957704897 /nfs/dbraw/zinc/70/48/97/957704897.db2.gz DJBRCILJHFUANA-LLVKDONJSA-N -1 0 307.310 -0.181 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCO[C@@H]3COCC[C@@H]32)c1=O ZINC001574746345 957708083 /nfs/dbraw/zinc/70/80/83/957708083.db2.gz XUKTZJVFNLQKDO-NWDGAFQWSA-N -1 0 322.317 -0.437 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1CC(=O)NCc1cccs1 ZINC000071245166 957711987 /nfs/dbraw/zinc/71/19/87/957711987.db2.gz GMESUEZJNUYXSJ-JTQLQIEISA-N -1 0 311.363 -0.361 20 0 DBADRM COCCn1nc(C(=O)Nc2c[nH]nc2C(=O)[O-])ccc1=O ZINC001594025669 957716601 /nfs/dbraw/zinc/71/66/01/957716601.db2.gz VQRNTQHLZCOAEP-UHFFFAOYSA-N -1 0 307.266 -0.437 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(C)[nH]1 ZINC001594276159 957719419 /nfs/dbraw/zinc/71/94/19/957719419.db2.gz RLEFVUWYTBSRSN-JTQLQIEISA-N -1 0 300.336 -0.045 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCc2nc(C3CC3)n[nH]2)c1=O ZINC001574748702 957720069 /nfs/dbraw/zinc/72/00/69/957720069.db2.gz ZZULDZBFSAKPJW-UHFFFAOYSA-N -1 0 317.305 -0.142 20 0 DBADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)ncc1C(N)=O ZINC001594276247 957720539 /nfs/dbraw/zinc/72/05/39/957720539.db2.gz WXGFOKSASIRXAV-LLVKDONJSA-N -1 0 317.305 -0.222 20 0 DBADRM COCc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001594028821 957737091 /nfs/dbraw/zinc/73/70/91/957737091.db2.gz DBNFYDOJYGCDFB-CQSZACIVSA-N -1 0 310.306 -0.277 20 0 DBADRM COCc1nn(CN2CC[C@@](COC)(C(=O)[O-])C2)c(=O)o1 ZINC001594033397 957783262 /nfs/dbraw/zinc/78/32/62/957783262.db2.gz SQJOODPDEWIGPY-GFCCVEGCSA-N -1 0 301.299 -0.637 20 0 DBADRM CON(C(=O)CCC[C@@]1(C)NC(=O)NC1=O)[C@@H](C)C(=O)[O-] ZINC001594035978 957813903 /nfs/dbraw/zinc/81/39/03/957813903.db2.gz ORTRLLSRQYVCDC-JVXZTZIISA-N -1 0 301.299 -0.382 20 0 DBADRM CON(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@@H](C)C(=O)[O-] ZINC001594037904 957831944 /nfs/dbraw/zinc/83/19/44/957831944.db2.gz RVTSKZNUYHSZFD-YUMQZZPRSA-N -1 0 306.315 -0.265 20 0 DBADRM CON(C(=O)Cc1c(C)[nH]c2ccnn2c1=O)[C@H](C)C(=O)[O-] ZINC001594038560 957839401 /nfs/dbraw/zinc/83/94/01/957839401.db2.gz XCPWAWHNCJIYHP-MRVPVSSYSA-N -1 0 308.294 -0.263 20 0 DBADRM CON(C)C(=O)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001594039351 957846875 /nfs/dbraw/zinc/84/68/75/957846875.db2.gz AEZMQWZTCNRWQN-UHFFFAOYSA-N -1 0 323.305 -0.612 20 0 DBADRM Cc1cc(C)c(CNC(=O)C(=O)N(C)CCC(=O)[O-])c(=O)[nH]1 ZINC001594294003 957851467 /nfs/dbraw/zinc/85/14/67/957851467.db2.gz IHIYZHIXQKNXAD-UHFFFAOYSA-N -1 0 309.322 -0.047 20 0 DBADRM Cc1cc(C)n(CC(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c(=O)n1 ZINC001594298136 957882020 /nfs/dbraw/zinc/88/20/20/957882020.db2.gz CJUVBYFUHFWLAD-GFCCVEGCSA-N -1 0 319.321 -0.464 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001594042788 957894342 /nfs/dbraw/zinc/89/43/42/957894342.db2.gz FVZFFYJABACNGH-GHMZBOCLSA-N -1 0 316.354 -0.029 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)cn1 ZINC001574819823 957904065 /nfs/dbraw/zinc/90/40/65/957904065.db2.gz FXAKHADCNQVAFV-QWRGUYRKSA-N -1 0 320.305 -0.706 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])C[C@H]21 ZINC001594044346 957907062 /nfs/dbraw/zinc/90/70/62/957907062.db2.gz GTNIOXKAWFOMDV-HWUMTFDVSA-N -1 0 317.363 -0.632 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)NCCCCC(=O)[O-])C[C@@H]1OC ZINC001594045349 957914281 /nfs/dbraw/zinc/91/42/81/957914281.db2.gz AFKNQDLARVWAOY-AOOOYVTPSA-N -1 0 302.327 -0.770 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C[C@@H]1OC ZINC001594045655 957917314 /nfs/dbraw/zinc/91/73/14/957917314.db2.gz MVJKFXURYXYGAK-PHIMTYICSA-N -1 0 323.305 -0.410 20 0 DBADRM Cc1cc(CCn2nnnc2N2CC[C@@H](C(=O)[O-])C2)nn1C ZINC001594302694 957923759 /nfs/dbraw/zinc/92/37/59/957923759.db2.gz RZWUASGZOIUQOW-SNVBAGLBSA-N -1 0 305.342 -0.131 20 0 DBADRM Cc1cc(CN2CCN(C(=O)[C@H]3CC(C(=O)[O-])=NO3)CC2)no1 ZINC001594303495 957931949 /nfs/dbraw/zinc/93/19/49/957931949.db2.gz UBZUIJMBQVZBQB-GFCCVEGCSA-N -1 0 322.321 -0.143 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc(C)n1 ZINC001594303272 957932118 /nfs/dbraw/zinc/93/21/18/957932118.db2.gz PRNAQWQXELKVCS-GFCCVEGCSA-N -1 0 321.333 -0.373 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)ncn1 ZINC001594303663 957934376 /nfs/dbraw/zinc/93/43/76/957934376.db2.gz YYOCGSHSTBJQIF-UHFFFAOYSA-N -1 0 306.322 -0.276 20 0 DBADRM Cc1cc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])ncn1 ZINC001594303972 957942453 /nfs/dbraw/zinc/94/24/53/957942453.db2.gz OLXNTQQYWYZHQO-JTQLQIEISA-N -1 0 300.340 -0.332 20 0 DBADRM Cc1cc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)[nH]n1 ZINC001594303954 957942904 /nfs/dbraw/zinc/94/29/04/957942904.db2.gz GOUAYGSYYVCATP-NSHDSACASA-N -1 0 308.338 -0.049 20 0 DBADRM O=C([O-])CNC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O ZINC001574896282 957958645 /nfs/dbraw/zinc/95/86/45/957958645.db2.gz OXLOKYGPQWQXIP-UHFFFAOYSA-N -1 0 307.237 -0.312 20 0 DBADRM O=C([O-])CNC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC001574896235 957959375 /nfs/dbraw/zinc/95/93/75/957959375.db2.gz LEZVYJWBXHYUHB-ZETCQYMHSA-N -1 0 318.376 -0.212 20 0 DBADRM Cc1cc(Cn2nnc(C(=O)OCC(=O)C(=O)[O-])c2C)on1 ZINC001594309050 957995399 /nfs/dbraw/zinc/99/53/99/957995399.db2.gz MJZRTLUIBYANOA-UHFFFAOYSA-N -1 0 308.250 -0.258 20 0 DBADRM COc1cc(C(N)=O)ccc1NC(=O)C(=O)NCCCC(=O)[O-] ZINC001594052883 958005047 /nfs/dbraw/zinc/00/50/47/958005047.db2.gz RJQBRIPWLBJSQM-UHFFFAOYSA-N -1 0 323.305 -0.286 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)CCCC(=O)[O-])c(=O)n(C)c1 ZINC001594313327 958049665 /nfs/dbraw/zinc/04/96/65/958049665.db2.gz IWNMXPFQEQDARN-UHFFFAOYSA-N -1 0 309.322 -0.045 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H](C(=O)[O-])c2ccnn2C)nn1C ZINC001594313975 958055224 /nfs/dbraw/zinc/05/52/24/958055224.db2.gz YNDSPKPWQYMYRG-JTQLQIEISA-N -1 0 320.309 -0.657 20 0 DBADRM CNC(=O)[C@H](CC(C)C)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000088768527 958067536 /nfs/dbraw/zinc/06/75/36/958067536.db2.gz APMCVWDSYUCTHB-VIFPVBQESA-N -1 0 309.388 -0.612 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC001347047640 958071371 /nfs/dbraw/zinc/07/13/71/958071371.db2.gz XAQZRLCKDOBURZ-UHFFFAOYSA-N -1 0 311.294 -0.676 20 0 DBADRM COc1cc(CS(=O)(=O)N2CCOC[C@H]2C(=O)[O-])sn1 ZINC001594059222 958077264 /nfs/dbraw/zinc/07/72/64/958077264.db2.gz YNWFMGIHBNHKBE-QMMMGPOBSA-N -1 0 322.364 -0.233 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CO)C2)CC[C@@H]1C(=O)[O-] ZINC001348446491 958080242 /nfs/dbraw/zinc/08/02/42/958080242.db2.gz HCLSPDXGGIRZOA-WOPDTQHZSA-N -1 0 312.366 -0.214 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000090261909 958101984 /nfs/dbraw/zinc/10/19/84/958101984.db2.gz LHHAUJRIIKLPQY-JTQLQIEISA-N -1 0 316.335 -0.888 20 0 DBADRM COC[C@H](O)CCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001350312288 958104289 /nfs/dbraw/zinc/10/42/89/958104289.db2.gz BYBFABUMOCXDRA-MRVPVSSYSA-N -1 0 311.294 -0.768 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001350312269 958104388 /nfs/dbraw/zinc/10/43/88/958104388.db2.gz BXKZWDPJUOIKTB-SSDOTTSWSA-N -1 0 308.294 -0.641 20 0 DBADRM CCOC(=O)CN1CCCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC1 ZINC001350420976 958106285 /nfs/dbraw/zinc/10/62/85/958106285.db2.gz CCSOMHDHEPFNBV-CQSZACIVSA-N -1 0 316.354 -0.427 20 0 DBADRM COc1cc(NCCCNC(=O)[C@](C)(OC)C(=O)[O-])ncn1 ZINC001594065348 958128105 /nfs/dbraw/zinc/12/81/05/958128105.db2.gz CGNQWCOSHIVYFL-ZDUSSCGKSA-N -1 0 312.326 -0.107 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC000091298116 958136463 /nfs/dbraw/zinc/13/64/63/958136463.db2.gz DDPLRSVZEQWSPJ-ZJUUUORDSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])c1cn(C2CN(S(=O)(=O)c3cccnc3)C2)nn1 ZINC000092697521 958172750 /nfs/dbraw/zinc/17/27/50/958172750.db2.gz WVRUZBLKDZTLRF-UHFFFAOYSA-N -1 0 309.307 -0.383 20 0 DBADRM Cc1cc(O)ccc1CC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001594327079 958183005 /nfs/dbraw/zinc/18/30/05/958183005.db2.gz QKNDZXWRRKLFAW-UHFFFAOYSA-N -1 0 306.318 -0.001 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001594330314 958211759 /nfs/dbraw/zinc/21/17/59/958211759.db2.gz CEGUBDIAKKSFEE-NSHDSACASA-N -1 0 318.307 -0.791 20 0 DBADRM COc1ccc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)nn1 ZINC001594077366 958227984 /nfs/dbraw/zinc/22/79/84/958227984.db2.gz NVNSQGNBZDWFFY-JTQLQIEISA-N -1 0 322.321 -0.319 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)o1 ZINC001552397413 958308132 /nfs/dbraw/zinc/30/81/32/958308132.db2.gz CQVLGWZZCHXYML-RTHLEPHNSA-N -1 0 323.305 -0.379 20 0 DBADRM COc1ccc(CC(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)nc1 ZINC001594086153 958314403 /nfs/dbraw/zinc/31/44/03/958314403.db2.gz LBAHVUNTJDVHRM-LLVKDONJSA-N -1 0 308.290 -0.139 20 0 DBADRM CCN1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1=O ZINC000391482881 972340551 /nfs/dbraw/zinc/34/05/51/972340551.db2.gz VGAIAMOETLBRFN-ZETCQYMHSA-N -1 0 302.308 -0.123 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)Cc1ccn(C)n1 ZINC001485377176 1013172576 /nfs/dbraw/zinc/17/25/76/1013172576.db2.gz HIFVCYUOVXZWNR-SECBINFHSA-N -1 0 323.357 -0.941 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000104346036 958366037 /nfs/dbraw/zinc/36/60/37/958366037.db2.gz GRJNHXBUUJBQFP-ZCFIWIBFSA-N -1 0 309.321 -0.742 20 0 DBADRM Cc1ccc(CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1O ZINC001594353464 958382850 /nfs/dbraw/zinc/38/28/50/958382850.db2.gz IWKFLAMXCBVTMR-UHFFFAOYSA-N -1 0 306.318 -0.001 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N2CCSC[C@@H]2C(=O)[O-])C1=O ZINC000110294832 958388538 /nfs/dbraw/zinc/38/85/38/958388538.db2.gz VZFWIGSFBDTVRL-SSDOTTSWSA-N -1 0 315.351 -0.655 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000111311258 958423309 /nfs/dbraw/zinc/42/33/09/958423309.db2.gz OGQRQTBNBVEPQC-VIFPVBQESA-N -1 0 317.319 -0.495 20 0 DBADRM Cc1ccc(CN(CCO)C(=O)C(=O)N(C)CCC(=O)[O-])o1 ZINC001594360406 958444685 /nfs/dbraw/zinc/44/46/85/958444685.db2.gz ZIAHWGZUNZBMPA-UHFFFAOYSA-N -1 0 312.322 -0.158 20 0 DBADRM CN1C(=O)C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)C1=O ZINC000116760689 958461097 /nfs/dbraw/zinc/46/10/97/958461097.db2.gz ZJXIRSPXVQEQPC-YFKPBYRVSA-N -1 0 318.332 -0.518 20 0 DBADRM COc1ccc(S(=O)(=O)N(C)C(=O)[C@@H](OC)C(=O)[O-])cc1 ZINC001594111024 958503280 /nfs/dbraw/zinc/50/32/80/958503280.db2.gz CGFGAPYANVGTFT-SNVBAGLBSA-N -1 0 317.319 -0.058 20 0 DBADRM C/C(=C/C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)CN1CCOCC1 ZINC001573340559 958538503 /nfs/dbraw/zinc/53/85/03/958538503.db2.gz RPLGJKFVEZOVIP-NRNKPFRXSA-N -1 0 324.377 -0.176 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-])n1cccn1 ZINC000125946051 958573132 /nfs/dbraw/zinc/57/31/32/958573132.db2.gz BAXMQHCHTUYNKT-VHSXEESVSA-N -1 0 315.351 -0.456 20 0 DBADRM Cc1cnc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])cn1 ZINC000125912899 958573259 /nfs/dbraw/zinc/57/32/59/958573259.db2.gz BXNBGUCFRDEMMU-SECBINFHSA-N -1 0 313.335 -0.501 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])n(C)n1 ZINC000125930919 958573371 /nfs/dbraw/zinc/57/33/71/958573371.db2.gz LTICFVSNHVMMSN-SECBINFHSA-N -1 0 315.351 -0.558 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])no1 ZINC000125944898 958573460 /nfs/dbraw/zinc/57/34/60/958573460.db2.gz JGOLAKQQGMWJDK-MRVPVSSYSA-N -1 0 302.308 -0.303 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)C[C@@H]1CCCO1 ZINC000125951455 958575143 /nfs/dbraw/zinc/57/51/43/958575143.db2.gz MRZOOCRKKWQCHL-UWVGGRQHSA-N -1 0 305.352 -0.344 20 0 DBADRM Cc1nnsc1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000125971530 958575768 /nfs/dbraw/zinc/57/57/68/958575768.db2.gz MSDUBEPHUHFWRO-SSDOTTSWSA-N -1 0 319.364 -0.440 20 0 DBADRM C[C@@H](C(=O)NC1CC1)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000126342456 958587392 /nfs/dbraw/zinc/58/73/92/958587392.db2.gz JFFMTZPKILCZSU-WPRPVWTQSA-N -1 0 304.368 -0.773 20 0 DBADRM CC1(C)[C@@H](O)C[C@@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000128039891 958630297 /nfs/dbraw/zinc/63/02/97/958630297.db2.gz GJSBBUOEDNTOLD-UWVGGRQHSA-N -1 0 306.384 -0.223 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCC(OCCO)CC1 ZINC000128875977 958685257 /nfs/dbraw/zinc/68/52/57/958685257.db2.gz OJCKYQTVCUUOAA-UHFFFAOYSA-N -1 0 319.339 -0.730 20 0 DBADRM C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485393681 1013181793 /nfs/dbraw/zinc/18/17/93/1013181793.db2.gz UKZVGNXZJIBCQE-UWVGGRQHSA-N -1 0 321.385 -0.016 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000129383463 958702519 /nfs/dbraw/zinc/70/25/19/958702519.db2.gz VBYKKPIPWPGOJY-ZJUUUORDSA-N -1 0 305.352 -0.487 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCOC[C@@H]2CC(=O)[O-])C[C@@H](C)O1 ZINC000130009028 958725440 /nfs/dbraw/zinc/72/54/40/958725440.db2.gz NBCLLPUXMISOBY-UTUOFQBUSA-N -1 0 300.355 -0.202 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@H](C)N1C ZINC000130951754 958740413 /nfs/dbraw/zinc/74/04/13/958740413.db2.gz FXXPRKRCILMMSR-AOOOYVTPSA-N -1 0 316.383 -0.319 20 0 DBADRM Cc1cc(=O)n2nc(CN3C[C@H](O)C[C@@H]3C(=O)[O-])sc2n1 ZINC000132092022 958766491 /nfs/dbraw/zinc/76/64/91/958766491.db2.gz NTBYVFLRMUSHOU-HTQZYQBOSA-N -1 0 310.335 -0.521 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134726986 958859359 /nfs/dbraw/zinc/85/93/59/958859359.db2.gz DHVCWYLKBQOIHW-BQBZGAKWSA-N -1 0 322.364 -0.388 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000158392242 959091037 /nfs/dbraw/zinc/09/10/37/959091037.db2.gz IEJGJSBKDOXJKG-SNVBAGLBSA-N -1 0 301.320 -0.081 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)CC1(O)CCOCC1 ZINC000161475152 959186332 /nfs/dbraw/zinc/18/63/32/959186332.db2.gz KZYXKENKGKCCOF-UHFFFAOYSA-N -1 0 310.372 -0.889 20 0 DBADRM CC1(C)CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C[C@H](CO)O1 ZINC000162986764 959222829 /nfs/dbraw/zinc/22/28/29/959222829.db2.gz BFZWCKAITAQWDD-MRVPVSSYSA-N -1 0 318.351 -0.127 20 0 DBADRM CC(C)(CNC(=O)NCC1(C(=O)[O-])CC1)NS(C)(=O)=O ZINC000167062566 959333862 /nfs/dbraw/zinc/33/38/62/959333862.db2.gz XDNSFSWVUMRHPM-UHFFFAOYSA-N -1 0 307.372 -0.522 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000167101846 959335574 /nfs/dbraw/zinc/33/55/74/959335574.db2.gz ZVXSLMPRSHJEMQ-IUCAKERBSA-N -1 0 318.351 -0.506 20 0 DBADRM O=C([O-])[C@@H]1CSCCN1C(=O)[C@@H]1CCCCS1(=O)=O ZINC000167998961 959371339 /nfs/dbraw/zinc/37/13/39/959371339.db2.gz NUMZAOXXJFYESZ-IUCAKERBSA-N -1 0 307.393 -0.018 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000167996243 959371448 /nfs/dbraw/zinc/37/14/48/959371448.db2.gz NCYDYFIEEUJDLP-RKDXNWHRSA-N -1 0 321.351 -0.524 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN3C(=O)CC[C@@H]3C2)c[nH]1 ZINC000168442488 959377767 /nfs/dbraw/zinc/37/77/67/959377767.db2.gz MWAYVVREIXUZPT-MRVPVSSYSA-N -1 0 313.335 -0.292 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN3C(=O)CC[C@H]3C2)c[nH]1 ZINC000168442574 959378135 /nfs/dbraw/zinc/37/81/35/959378135.db2.gz MWAYVVREIXUZPT-QMMMGPOBSA-N -1 0 313.335 -0.292 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000168741761 959387049 /nfs/dbraw/zinc/38/70/49/959387049.db2.gz BMNZBWXKYHEOLS-RKDXNWHRSA-N -1 0 321.351 -0.666 20 0 DBADRM COCc1cc(C(=O)N[C@H](CCC(=O)OC)C(=O)[O-])no1 ZINC000168772146 959390854 /nfs/dbraw/zinc/39/08/54/959390854.db2.gz GVXPWHPQYDIQGC-MRVPVSSYSA-N -1 0 300.267 -0.043 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000169262867 959407952 /nfs/dbraw/zinc/40/79/52/959407952.db2.gz QJJSCFLITSADBR-GSDQLPOLSA-N -1 0 306.384 -0.066 20 0 DBADRM C[C@@]1(CC(=O)NCC2(C(=O)[O-])CCC2)CCS(=O)(=O)N1 ZINC001573619166 959499882 /nfs/dbraw/zinc/49/98/82/959499882.db2.gz DPRFOJWYNGTTAH-NSHDSACASA-N -1 0 304.368 -0.171 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC000226466304 959881144 /nfs/dbraw/zinc/88/11/44/959881144.db2.gz RPZCYHSRQVTMGJ-ZCFIWIBFSA-N -1 0 323.348 -0.433 20 0 DBADRM COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)cc1C(=O)[O-] ZINC000227254736 959939023 /nfs/dbraw/zinc/93/90/23/959939023.db2.gz IAUKCWOSWCKJDS-AOOOYVTPSA-N -1 0 317.319 -0.881 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000227256544 959941008 /nfs/dbraw/zinc/94/10/08/959941008.db2.gz YPZIDYQNKNGFQT-LURJTMIESA-N -1 0 309.321 -0.742 20 0 DBADRM C[C@H](CO)CCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000228227842 960004860 /nfs/dbraw/zinc/00/48/60/960004860.db2.gz RFPUPDYOXQAJOQ-VIFPVBQESA-N -1 0 305.356 -0.345 20 0 DBADRM O=C([O-])c1c(F)ccc(S(=O)(=O)N[C@@H]2CNC(=O)C2)c1F ZINC000229018439 960051167 /nfs/dbraw/zinc/05/11/67/960051167.db2.gz SIUFCVWJQVSCRJ-YFKPBYRVSA-N -1 0 320.273 -0.170 20 0 DBADRM O=C([O-])/C=C/c1ccc(S(=O)(=O)N[C@@H]2CNC(=O)C2)cc1 ZINC000229020027 960051418 /nfs/dbraw/zinc/05/14/18/960051418.db2.gz UBQDVECJRPSYCP-YVGDHZEHSA-N -1 0 310.331 -0.049 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C[C@@H](CO)O1 ZINC000229951006 960101336 /nfs/dbraw/zinc/10/13/36/960101336.db2.gz NTQODTPAFAZCLB-SFYZADRCSA-N -1 0 304.324 -0.517 20 0 DBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1cc(C(=O)[O-])on1 ZINC000230050618 960121175 /nfs/dbraw/zinc/12/11/75/960121175.db2.gz UJIOEWYXBIGHTA-MRVPVSSYSA-N -1 0 320.348 -0.068 20 0 DBADRM CCn1cnnc1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000230751713 960161542 /nfs/dbraw/zinc/16/15/42/960161542.db2.gz PJLGAMVRPUWWNW-UHFFFAOYSA-N -1 0 317.371 -0.571 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000230987495 960177219 /nfs/dbraw/zinc/17/72/19/960177219.db2.gz TXLIIFQUQBVJCJ-VHSXEESVSA-N -1 0 306.384 -0.115 20 0 DBADRM CNS(=O)(=O)CCNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000231024301 960178331 /nfs/dbraw/zinc/17/83/31/960178331.db2.gz XLYIWCNJMXTYGA-UHFFFAOYSA-N -1 0 303.340 -0.391 20 0 DBADRM CCCCNC(=O)[C@@H](C)[S@@](=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000232971200 960306752 /nfs/dbraw/zinc/30/67/52/960306752.db2.gz MGQIOOJFVZXECA-CBUNIWKESA-N -1 0 306.384 -0.371 20 0 DBADRM CNC(=O)CCN(C)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000234361818 960352566 /nfs/dbraw/zinc/35/25/66/960352566.db2.gz ICLJDQOJQVYBAY-UHFFFAOYSA-N -1 0 307.353 -0.402 20 0 DBADRM COC1(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCC1 ZINC000234743434 960367765 /nfs/dbraw/zinc/36/77/65/960367765.db2.gz IANIRWMKHWIMHX-UHFFFAOYSA-N -1 0 303.340 -0.185 20 0 DBADRM C[C@@]1(C(N)=O)CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000235386338 960425957 /nfs/dbraw/zinc/42/59/57/960425957.db2.gz WALZNAIHASASJX-LLVKDONJSA-N -1 0 301.324 -0.401 20 0 DBADRM N#Cc1ncccc1S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000236431174 960590161 /nfs/dbraw/zinc/59/01/61/960590161.db2.gz BUUIPRHGSOGIDO-VIFPVBQESA-N -1 0 311.319 -0.183 20 0 DBADRM CC[C@@H](F)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001485413338 1013210615 /nfs/dbraw/zinc/21/06/15/1013210615.db2.gz JXNXAQLYGJNPGL-MRVPVSSYSA-N -1 0 301.322 -0.689 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)NCC(=O)[O-] ZINC001571077205 960966302 /nfs/dbraw/zinc/96/63/02/960966302.db2.gz VZGOYZZBOZUHHQ-SDBXPKJASA-N -1 0 302.327 -0.052 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)NCC(=O)[O-] ZINC001571077204 960966412 /nfs/dbraw/zinc/96/64/12/960966412.db2.gz VZGOYZZBOZUHHQ-OQPBUACISA-N -1 0 302.327 -0.052 20 0 DBADRM CC1=NO[C@](C)(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1 ZINC001571084648 961035152 /nfs/dbraw/zinc/03/51/52/961035152.db2.gz FAFXIFSZMCPAPW-KCJUWKMLSA-N -1 0 304.324 -0.749 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3[nH]c(CO)nc3c2)CCO1 ZINC001571084598 961036463 /nfs/dbraw/zinc/03/64/63/961036463.db2.gz MKJLMCSESUXOFB-NSHDSACASA-N -1 0 305.290 -0.019 20 0 DBADRM Cc1cn2nc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2c(=O)[nH]1 ZINC001571091577 961104802 /nfs/dbraw/zinc/10/48/02/961104802.db2.gz HKLGXFPCWXHVNI-SNVBAGLBSA-N -1 0 306.278 -0.743 20 0 DBADRM O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCN1CCOC1=O ZINC001571092898 961130818 /nfs/dbraw/zinc/13/08/18/961130818.db2.gz YFWZBMAXJGMIRO-SECBINFHSA-N -1 0 306.340 -0.293 20 0 DBADRM O=C([O-])CCNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000244335603 961187076 /nfs/dbraw/zinc/18/70/76/961187076.db2.gz XQNQDLDZSUPDIT-UHFFFAOYSA-N -1 0 321.245 -0.218 20 0 DBADRM NC(=O)c1ncn(CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC001571101692 961232077 /nfs/dbraw/zinc/23/20/77/961232077.db2.gz FXBWMCBQOPBJDP-VIFPVBQESA-N -1 0 309.326 -0.520 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](CN2CCOC[C@H]2CC(=O)[O-])C1 ZINC000250945135 961233840 /nfs/dbraw/zinc/23/38/40/961233840.db2.gz LVTSXPXCTMCJAT-NWDGAFQWSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCOC[C@H]2CC(=O)[O-])C[C@H](C)O1 ZINC000251689890 961255399 /nfs/dbraw/zinc/25/53/99/961255399.db2.gz NBCLLPUXMISOBY-GRYCIOLGSA-N -1 0 300.355 -0.202 20 0 DBADRM COC(=O)[C@H](CNC(=O)COCC(=O)[O-])Cc1ccncc1 ZINC001571106139 961271758 /nfs/dbraw/zinc/27/17/58/961271758.db2.gz FRQOOBZOUBYXHT-NSHDSACASA-N -1 0 310.306 -0.369 20 0 DBADRM COC(=O)[C@@H](Cc1ccccc1O)NC(=O)COCC(=O)[O-] ZINC001571107748 961306189 /nfs/dbraw/zinc/30/61/89/961306189.db2.gz FYMMOROTGCUFCY-SNVBAGLBSA-N -1 0 311.290 -0.306 20 0 DBADRM C[C@H]1CN(C(=O)C2=NN(CCO)C(=O)CC2)CC[C@H]1C(=O)[O-] ZINC001571111199 961327403 /nfs/dbraw/zinc/32/74/03/961327403.db2.gz GNOZOWYWPZEHFD-VHSXEESVSA-N -1 0 311.338 -0.474 20 0 DBADRM C[C@](O)(CNC(=O)c1cnc2c(c1)NC(=O)CS2)C(=O)[O-] ZINC001571111206 961328022 /nfs/dbraw/zinc/32/80/22/961328022.db2.gz GSOVZGXWCVYQMC-LBPRGKRZSA-N -1 0 311.319 -0.309 20 0 DBADRM C[C@@](O)(CNC(=O)Cc1nnc(C2CCOCC2)[nH]1)C(=O)[O-] ZINC001571113026 961366992 /nfs/dbraw/zinc/36/69/92/961366992.db2.gz WDFDZBJBIXRVII-CYBMUJFWSA-N -1 0 312.326 -0.807 20 0 DBADRM C[C@](O)(CNC(=O)Cc1nnc(C2CCOCC2)[nH]1)C(=O)[O-] ZINC001571113027 961367151 /nfs/dbraw/zinc/36/71/51/961367151.db2.gz WDFDZBJBIXRVII-ZDUSSCGKSA-N -1 0 312.326 -0.807 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC001571133414 961588837 /nfs/dbraw/zinc/58/88/37/961588837.db2.gz NCZJGPFACZVDEX-VHSXEESVSA-N -1 0 317.363 -0.344 20 0 DBADRM COCCN(CCC(=O)[O-])CC(=O)NCC(=O)NC(C)(C)C ZINC001571133594 961595765 /nfs/dbraw/zinc/59/57/65/961595765.db2.gz QJYLYNVBSHRWFP-UHFFFAOYSA-N -1 0 317.386 -0.560 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN1CCC[C@H](S(N)(=O)=O)C1 ZINC001574473203 961622259 /nfs/dbraw/zinc/62/22/59/961622259.db2.gz NNFQXZONWZKIKS-QMMMGPOBSA-N -1 0 302.356 -0.629 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN1CCC[C@@H](S(N)(=O)=O)C1 ZINC001574473200 961623036 /nfs/dbraw/zinc/62/30/36/961623036.db2.gz NNFQXZONWZKIKS-MRVPVSSYSA-N -1 0 302.356 -0.629 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001574474192 961637611 /nfs/dbraw/zinc/63/76/11/961637611.db2.gz KPUFEIPBGDVQIO-UHFFFAOYSA-N -1 0 303.278 -0.748 20 0 DBADRM CS(=O)(=O)Cc1nc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)co1 ZINC001571141627 961672313 /nfs/dbraw/zinc/67/23/13/961672313.db2.gz ZRGYBVNJSPYDFV-NSHDSACASA-N -1 0 318.307 -0.807 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000262711964 961819206 /nfs/dbraw/zinc/81/92/06/961819206.db2.gz BTRZNXSFUNYXBI-QMMMGPOBSA-N -1 0 316.335 -0.011 20 0 DBADRM CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C[C@H]1CO ZINC001598621799 1017352099 /nfs/dbraw/zinc/35/20/99/1017352099.db2.gz XSQLMFFXPPLTMK-NSHDSACASA-N -1 0 314.363 -0.318 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cc(C(=O)[O-])nn2C)O1 ZINC001571164026 961962100 /nfs/dbraw/zinc/96/21/00/961962100.db2.gz ZSOVEADHOUOFQM-KWQFWETISA-N -1 0 324.337 -0.516 20 0 DBADRM CC(C)C[C@@H](OC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC001588863719 962020194 /nfs/dbraw/zinc/02/01/94/962020194.db2.gz ZERACNRLVLADCZ-NXEZZACHSA-N -1 0 322.383 -0.056 20 0 DBADRM CN(CC1=CCCOC1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001347160953 962383470 /nfs/dbraw/zinc/38/34/70/962383470.db2.gz RPGOKWURKFBGRI-NSHDSACASA-N -1 0 312.322 -0.897 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCO[C@H](CCF)C1 ZINC001349958240 962508302 /nfs/dbraw/zinc/50/83/02/962508302.db2.gz KAGHEOQZQPYEKA-KXUCPTDWSA-N -1 0 302.302 -0.447 20 0 DBADRM CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001598631431 1017357549 /nfs/dbraw/zinc/35/75/49/1017357549.db2.gz DVFJEJZFQTVIAQ-SNVBAGLBSA-N -1 0 316.335 -0.922 20 0 DBADRM CC[C@H](C)NC(=O)[C@H](C)[S@](=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000300450801 963011447 /nfs/dbraw/zinc/01/14/47/963011447.db2.gz ZOZHWSIZVXZDTA-ZELJJIFGSA-N -1 0 306.384 -0.372 20 0 DBADRM NC(=O)[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C1 ZINC000300532156 963015570 /nfs/dbraw/zinc/01/55/70/963015570.db2.gz OCMXMBHDVXCHBT-SSDOTTSWSA-N -1 0 313.335 -0.656 20 0 DBADRM CNC(=O)C1(NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCCC1 ZINC001598635571 1017361081 /nfs/dbraw/zinc/36/10/81/1017361081.db2.gz HTXYDTQGRYBJIX-UHFFFAOYSA-N -1 0 316.339 -0.555 20 0 DBADRM CC(C)(CN1CCOCC1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC000308581192 963290301 /nfs/dbraw/zinc/29/03/01/963290301.db2.gz XUWBVWLTPNCWHC-MNOVXSKESA-N -1 0 300.355 -0.154 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000311017664 963453639 /nfs/dbraw/zinc/45/36/39/963453639.db2.gz NGQXRBGMICVIBQ-YFKPBYRVSA-N -1 0 309.312 -0.941 20 0 DBADRM CNC(=O)[C@@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001598638498 1017362894 /nfs/dbraw/zinc/36/28/94/1017362894.db2.gz GPTYGTKFOGBHRY-SECBINFHSA-N -1 0 306.322 -0.214 20 0 DBADRM CCNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000312310854 963552529 /nfs/dbraw/zinc/55/25/29/963552529.db2.gz PZFPLZPTLUDONG-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(=O)OC ZINC000312772321 963591961 /nfs/dbraw/zinc/59/19/61/963591961.db2.gz NDDKRVSCTAAEJQ-QMMMGPOBSA-N -1 0 305.312 -0.802 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCC[C@@H]2CCO)c1C(=O)[O-] ZINC000312931009 963605665 /nfs/dbraw/zinc/60/56/65/963605665.db2.gz FMLCJULRUPXGAX-MRVPVSSYSA-N -1 0 303.340 -0.048 20 0 DBADRM Cn1cnc(CCNC(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC000313263100 963631836 /nfs/dbraw/zinc/63/18/36/963631836.db2.gz PCSAMKIQKUETES-UHFFFAOYSA-N -1 0 307.314 -0.748 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000313305489 963636188 /nfs/dbraw/zinc/63/61/88/963636188.db2.gz HTEJVGRIDKKATG-SECBINFHSA-N -1 0 303.336 -0.251 20 0 DBADRM C[C@@H](NC(=O)c1cccs1)C(=O)N[C@](C)(CO)C(=O)[O-] ZINC000313507747 963652089 /nfs/dbraw/zinc/65/20/89/963652089.db2.gz MRQIQYPLVRUZDP-JMCQJSRRSA-N -1 0 300.336 -0.182 20 0 DBADRM Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@](C)(CO)C(=O)[O-] ZINC000313507197 963652282 /nfs/dbraw/zinc/65/22/82/963652282.db2.gz KRTRCOCZQDPKGC-ZDUSSCGKSA-N -1 0 315.347 -0.036 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)N1CCC[C@](O)(CO)C1 ZINC000313671867 963674463 /nfs/dbraw/zinc/67/44/63/963674463.db2.gz GPKVMQRQYRBSAN-LLVKDONJSA-N -1 0 321.376 -0.046 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(C)(C)OCCO)cc1C(=O)[O-] ZINC000313828346 963684430 /nfs/dbraw/zinc/68/44/30/963684430.db2.gz MXXXHIPCSDBDFB-UHFFFAOYSA-N -1 0 320.367 -0.211 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000313939220 963693223 /nfs/dbraw/zinc/69/32/23/963693223.db2.gz OBLIEYYORNNRII-JTQLQIEISA-N -1 0 317.363 -0.110 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598639682 1017363493 /nfs/dbraw/zinc/36/34/93/1017363493.db2.gz KGAFTFPRPRGGRO-ISVAXAHUSA-N -1 0 312.326 -0.474 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000315323624 963881441 /nfs/dbraw/zinc/88/14/41/963881441.db2.gz BXIBJCIIAMUDKQ-IUCAKERBSA-N -1 0 313.354 -0.661 20 0 DBADRM N#Cc1ccccc1S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000315356814 963889061 /nfs/dbraw/zinc/88/90/61/963889061.db2.gz IBTADTQDFMELET-SNVBAGLBSA-N -1 0 323.330 -0.478 20 0 DBADRM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315422767 963898811 /nfs/dbraw/zinc/89/88/11/963898811.db2.gz CSGRBIKRBZREMJ-SSDOTTSWSA-N -1 0 303.296 -0.728 20 0 DBADRM CN1C[C@H](Nc2ccc(S(N)(=O)=O)cc2C(=O)[O-])CC1=O ZINC000315429071 963899876 /nfs/dbraw/zinc/89/98/76/963899876.db2.gz WEJQQUKOYLKMJK-SSDOTTSWSA-N -1 0 313.335 -0.325 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000316134060 963981180 /nfs/dbraw/zinc/98/11/80/963981180.db2.gz MOKCOTOOAKGWPO-VIFPVBQESA-N -1 0 310.314 -0.948 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)N2C[C@H](O)[C@@H](CO)C2)c1 ZINC000316265232 963996229 /nfs/dbraw/zinc/99/62/29/963996229.db2.gz QMHVSXWREYDAIJ-SKDRFNHKSA-N -1 0 310.306 -0.033 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2cccc(C(=O)[O-])n2)c1=O ZINC000316325355 964002314 /nfs/dbraw/zinc/00/23/14/964002314.db2.gz OEUYBFVSGWNHPZ-UHFFFAOYSA-N -1 0 304.262 -0.721 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NCCC(=O)N1CCOCC1 ZINC000317046719 964090986 /nfs/dbraw/zinc/09/09/86/964090986.db2.gz PBQASHQOSFJVGO-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM CNC(=O)CN1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001598642891 1017365484 /nfs/dbraw/zinc/36/54/84/1017365484.db2.gz MJOVBASLFMEOIS-NWDGAFQWSA-N -1 0 311.382 -0.232 20 0 DBADRM O=C(C=C1CCCCC1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001485979669 1013487311 /nfs/dbraw/zinc/48/73/11/1013487311.db2.gz KJSJFOBJPOFGQX-NSHDSACASA-N -1 0 309.370 -0.033 20 0 DBADRM CNC(=O)NCC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001598652001 1017368113 /nfs/dbraw/zinc/36/81/13/1017368113.db2.gz OAAVDSZGXWLAJV-UHFFFAOYSA-N -1 0 310.314 -0.931 20 0 DBADRM CNC(=O)Cc1noc(CSC[C@H](NC(C)=O)C(=O)[O-])n1 ZINC001598648197 1017369265 /nfs/dbraw/zinc/36/92/65/1017369265.db2.gz DXQUHSWSLUXICV-ZETCQYMHSA-N -1 0 316.339 -0.819 20 0 DBADRM O=C(C[C@H]1CC=CCC1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001486023225 1013579918 /nfs/dbraw/zinc/57/99/18/1013579918.db2.gz AFNJYVVSSSUBDU-QWRGUYRKSA-N -1 0 309.370 -0.177 20 0 DBADRM CNC(=O)[C@H](CCSC)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001598655901 1017371098 /nfs/dbraw/zinc/37/10/98/1017371098.db2.gz PISOEIJUHNXISG-QMMMGPOBSA-N -1 0 314.367 -0.435 20 0 DBADRM CNC(=O)NC[C@H]1CN(Cc2nc(C(=O)[O-])cs2)CCO1 ZINC001598654057 1017371860 /nfs/dbraw/zinc/37/18/60/1017371860.db2.gz ZWQZRSKDZRJVJV-QMMMGPOBSA-N -1 0 314.367 -0.029 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1CC12CCCC2 ZINC001486050592 1013627558 /nfs/dbraw/zinc/62/75/58/1013627558.db2.gz HXVYJBAVCAICKT-ZJUUUORDSA-N -1 0 309.370 -0.343 20 0 DBADRM C[C@@H](C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1cccnc1 ZINC001486052409 1013631077 /nfs/dbraw/zinc/63/10/77/1013631077.db2.gz GUTMUVGMMFBNSC-MWLCHTKSSA-N -1 0 320.353 -0.724 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001598654063 1017373045 /nfs/dbraw/zinc/37/30/45/1017373045.db2.gz BQIIIVPRZUFPAJ-ZCFIWIBFSA-N -1 0 313.335 -0.056 20 0 DBADRM CNC(=O)N[C@H]1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC001598652623 1017373060 /nfs/dbraw/zinc/37/30/60/1017373060.db2.gz JCMGTIKRCPTRMU-VIFPVBQESA-N -1 0 322.387 -0.969 20 0 DBADRM CNC(=O)NCCC(=O)NCCCNc1ncc(C(=O)[O-])cn1 ZINC001598653406 1017373108 /nfs/dbraw/zinc/37/31/08/1017373108.db2.gz MILUXXUKRARDOZ-UHFFFAOYSA-N -1 0 324.341 -0.588 20 0 DBADRM CNC(=O)N1CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC001598652800 1017373125 /nfs/dbraw/zinc/37/31/25/1017373125.db2.gz WBVONZPSDIMPPT-NSHDSACASA-N -1 0 300.359 -0.831 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001598688817 1017387889 /nfs/dbraw/zinc/38/78/89/1017387889.db2.gz SBJLRUYRSQBHMQ-LDYMZIIASA-N -1 0 309.340 -0.699 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cnccc1C ZINC001598695636 1017392223 /nfs/dbraw/zinc/39/22/23/1017392223.db2.gz XVKKWKXJNWEWGD-MRVPVSSYSA-N -1 0 302.308 -0.315 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@@H](C(=O)[O-])C1CC1)[C@H]1CCOC1 ZINC001599060312 1017499663 /nfs/dbraw/zinc/49/96/63/1017499663.db2.gz UVIIEBQUVCBVHX-HBNTYKKESA-N -1 0 307.368 -0.180 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CC[C@]1(C)CCC(=O)N1)C(=O)[O-] ZINC001598838189 1017441504 /nfs/dbraw/zinc/44/15/04/1017441504.db2.gz UNHUYEUDTRYAAZ-AMIZOPFISA-N -1 0 300.311 -0.432 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@H](OC)C(=O)OC(C)(C)C ZINC001599233947 1017563616 /nfs/dbraw/zinc/56/36/16/1017563616.db2.gz XCLNFTJGTDWNCH-JTQLQIEISA-N -1 0 305.327 -0.097 20 0 DBADRM NC(=O)CC1(CNS(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC001601147168 1017811852 /nfs/dbraw/zinc/81/18/52/1017811852.db2.gz JKOXGYDNKSGHEG-UHFFFAOYSA-N -1 0 302.308 -0.088 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CC2)oc1Cl ZINC001601196184 1017824914 /nfs/dbraw/zinc/82/49/14/1017824914.db2.gz RWIWSDDLWUHLRR-UHFFFAOYSA-N -1 0 308.699 -0.073 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)C(=O)N2CCOCC2)C1 ZINC001601854568 1017890322 /nfs/dbraw/zinc/89/03/22/1017890322.db2.gz PJHSRXNTXSVKMN-VIFPVBQESA-N -1 0 302.352 -0.879 20 0 DBADRM CC(C)(C)OC(=O)NCC1(C(=O)N[C@H](CO)C(=O)[O-])CC1 ZINC001603452594 1018186978 /nfs/dbraw/zinc/18/69/78/1018186978.db2.gz PFPMAAVQXMULSH-MRVPVSSYSA-N -1 0 302.327 -0.147 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)C[C@H]1CCC2(CCC2)O1)C(=O)[O-] ZINC001604198915 1018318733 /nfs/dbraw/zinc/31/87/33/1018318733.db2.gz NXLDELDRFYJJTR-KOLCDFICSA-N -1 0 307.368 -0.157 20 0 DBADRM CCCn1c(C)nnc1CNCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596108963 1017112007 /nfs/dbraw/zinc/11/20/07/1017112007.db2.gz YOEYESZUFNTCBM-GHMZBOCLSA-N -1 0 309.370 -0.077 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000038030237 967517026 /nfs/dbraw/zinc/51/70/26/967517026.db2.gz YETPZIUCUQUQLK-QMMMGPOBSA-N -1 0 301.324 -0.269 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1cnc2n(c1=O)CCS2 ZINC000088375510 967584543 /nfs/dbraw/zinc/58/45/43/967584543.db2.gz ICYWKDWAGRKNSE-QMMMGPOBSA-N -1 0 311.319 -0.725 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc1OC ZINC000090276713 967587961 /nfs/dbraw/zinc/58/79/61/967587961.db2.gz MWOXWZISQLAPTO-LBPRGKRZSA-N -1 0 319.335 -0.182 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc1F ZINC000090276794 967588081 /nfs/dbraw/zinc/58/80/81/967588081.db2.gz RHMVMRIKBBASPQ-LLVKDONJSA-N -1 0 307.299 -0.052 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000090276744 967588130 /nfs/dbraw/zinc/58/81/30/967588130.db2.gz DUFYTUAWPYQHOV-GFCCVEGCSA-N -1 0 317.319 -0.428 20 0 DBADRM Cc1cn2nnc(C(=O)N3CCC[C@H](C(=O)[O-])C3)c2c(=O)[nH]1 ZINC000096033005 967604844 /nfs/dbraw/zinc/60/48/44/967604844.db2.gz NFYBJBYWAOUCBL-QMMMGPOBSA-N -1 0 305.294 -0.337 20 0 DBADRM O=C([O-])C[C@@H]1CCCCN1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000245225630 967788832 /nfs/dbraw/zinc/78/88/32/967788832.db2.gz ZRCHDZHKXAYNDG-QWRGUYRKSA-N -1 0 318.395 -0.381 20 0 DBADRM CCCn1c(=O)[nH]nc1SCCS(=O)(=O)CC(=O)[O-] ZINC000311421723 967949916 /nfs/dbraw/zinc/94/99/16/967949916.db2.gz FCPAMWXPYSLTCT-UHFFFAOYSA-N -1 0 309.369 -0.427 20 0 DBADRM COC(=O)C(C)(C)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000314054434 967964450 /nfs/dbraw/zinc/96/44/50/967964450.db2.gz CCHXENAPEGRTHJ-UHFFFAOYSA-N -1 0 322.383 -0.183 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC001606919210 1018894853 /nfs/dbraw/zinc/89/48/53/1018894853.db2.gz CUOZKENKOHOUGX-VHSXEESVSA-N -1 0 323.367 -0.862 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC000319403084 967999422 /nfs/dbraw/zinc/99/94/22/967999422.db2.gz ZPDURRPLQPILBN-AWEZNQCLSA-N -1 0 312.322 -0.525 20 0 DBADRM CC1(C)CCN(CCS(=O)(=O)CC(=O)[O-])CC[S@@]1=O ZINC000321897533 968016229 /nfs/dbraw/zinc/01/62/29/968016229.db2.gz UETZPNGHBBOGCH-SFHVURJKSA-N -1 0 311.425 -0.281 20 0 DBADRM CCN(C(=O)[C@H]1CC(C(=O)[O-])=NO1)[C@@H]1CCS(=O)(=O)C1 ZINC000395651287 968224140 /nfs/dbraw/zinc/22/41/40/968224140.db2.gz KXHURHVVSHURBB-VXNVDRBHSA-N -1 0 304.324 -0.749 20 0 DBADRM C[C@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1)S(N)(=O)=O ZINC000398221308 968267903 /nfs/dbraw/zinc/26/79/03/968267903.db2.gz DFOXOTQKOAQRGO-MRVPVSSYSA-N -1 0 315.351 -0.139 20 0 DBADRM CCn1cc(CNC(=O)N2CC[C@](COC)(C(=O)[O-])C2)nn1 ZINC000404403695 968325269 /nfs/dbraw/zinc/32/52/69/968325269.db2.gz BIKYVAKABBWTLM-ZDUSSCGKSA-N -1 0 311.342 -0.069 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)[C@H]1COCCN1CC(F)(F)F ZINC001610715154 1019722019 /nfs/dbraw/zinc/72/20/19/1019722019.db2.gz BKQVDNOFBACYRI-RNFRBKRXSA-N -1 0 302.224 -0.212 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001596181416 1017116061 /nfs/dbraw/zinc/11/60/61/1017116061.db2.gz RMHHSSRHDXBVHV-AEJSXWLSSA-N -1 0 301.343 -0.263 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)C2=COCCO2)c1[O-] ZINC001486842702 1013890639 /nfs/dbraw/zinc/89/06/39/1013890639.db2.gz UPXFGMDQTKWPFJ-MRVPVSSYSA-N -1 0 324.337 -0.111 20 0 DBADRM CC[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001486947430 1013907019 /nfs/dbraw/zinc/90/70/19/1013907019.db2.gz CHHZVPXFKPASMI-RKDXNWHRSA-N -1 0 313.358 -0.302 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001486951959 1013907678 /nfs/dbraw/zinc/90/76/78/1013907678.db2.gz ANMBPHNOGYMWJU-GJMOJQLCSA-N -1 0 309.326 -0.485 20 0 DBADRM CCCC[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(C)=O ZINC001487091967 1013943465 /nfs/dbraw/zinc/94/34/65/1013943465.db2.gz GZRCMKOQAUIEBQ-SNVBAGLBSA-N -1 0 310.354 -0.089 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC001487203297 1013958600 /nfs/dbraw/zinc/95/86/00/1013958600.db2.gz NVJXXDNRXZUHAP-XKSSXDPKSA-N -1 0 323.353 -0.692 20 0 DBADRM CCN(CC(=O)[O-])CC(=O)N[C@H](C(=O)NC)c1ccccc1 ZINC001596222084 1017120109 /nfs/dbraw/zinc/12/01/09/1017120109.db2.gz FAQGHZVNGOVIDY-AWEZNQCLSA-N -1 0 307.350 -0.004 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000170553262 970309290 /nfs/dbraw/zinc/30/92/90/970309290.db2.gz PXIJRTWPVXGKSX-UHFFFAOYSA-N -1 0 319.317 -0.108 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2cnn3ccncc23)nn1 ZINC000317976014 970401077 /nfs/dbraw/zinc/40/10/77/970401077.db2.gz CIUUBHPAYOTTGA-UHFFFAOYSA-N -1 0 301.266 -0.551 20 0 DBADRM CCN(CC(=O)[O-])CC(=O)NCC(C)(C)N1CCOCC1 ZINC001596222266 1017120633 /nfs/dbraw/zinc/12/06/33/1017120633.db2.gz KYQCMHBGLPHVME-UHFFFAOYSA-N -1 0 301.387 -0.380 20 0 DBADRM N#Cc1ncccc1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000318371254 970429772 /nfs/dbraw/zinc/42/97/72/970429772.db2.gz FIYFSKSEHTWAJK-UHFFFAOYSA-N -1 0 322.306 -0.779 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(C[C@H]3CCCO3)CC2)O1 ZINC000318564007 970446200 /nfs/dbraw/zinc/44/62/00/970446200.db2.gz OLJQHOZYQYFEAU-UPJWGTAASA-N -1 0 312.366 -0.058 20 0 DBADRM CCC(=O)N(C)[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001487624899 1014011850 /nfs/dbraw/zinc/01/18/50/1014011850.db2.gz IBLRHQJBPNXJMJ-VIFPVBQESA-N -1 0 311.342 -0.548 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)c1 ZINC000319971288 970595122 /nfs/dbraw/zinc/59/51/22/970595122.db2.gz RJJMEKPTQWGYTA-VIFPVBQESA-N -1 0 307.262 -0.313 20 0 DBADRM CC(C)=CC(=O)N(C)C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001487701676 1014018621 /nfs/dbraw/zinc/01/86/21/1014018621.db2.gz JSSZCKPSUJUBLJ-SECBINFHSA-N -1 0 311.342 -0.381 20 0 DBADRM Cc1ccnc2nc(C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])nn21 ZINC000320642838 970690558 /nfs/dbraw/zinc/69/05/58/970690558.db2.gz IHZHCMUTDQFWGF-VIFPVBQESA-N -1 0 315.293 -0.418 20 0 DBADRM Cc1n[nH]c(=O)c(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1C ZINC000320853485 970722666 /nfs/dbraw/zinc/72/26/66/970722666.db2.gz XHBSDSVYYZEEKX-UHFFFAOYSA-N -1 0 318.293 -0.626 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccc(S(C)(=O)=O)cn1 ZINC001563135007 1024022481 /nfs/dbraw/zinc/02/24/81/1024022481.db2.gz HBXNMHHFVLVHNE-UHFFFAOYSA-N -1 0 302.312 -0.716 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H](C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001487856873 1014044425 /nfs/dbraw/zinc/04/44/25/1014044425.db2.gz VDGHBTHYVQZCOQ-BDAKNGLRSA-N -1 0 313.358 -0.302 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000393875486 972654346 /nfs/dbraw/zinc/65/43/46/972654346.db2.gz SNGYQSUQRJJCRS-UHFFFAOYSA-N -1 0 321.326 -0.207 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000393882979 972656308 /nfs/dbraw/zinc/65/63/08/972656308.db2.gz UYFYWWBGTKDKQD-UHFFFAOYSA-N -1 0 310.353 -0.890 20 0 DBADRM C[C@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCN1S(C)(=O)=O ZINC001605053694 972666716 /nfs/dbraw/zinc/66/67/16/972666716.db2.gz LAJIGCQLAHUUJK-GUBZILKMSA-N -1 0 319.383 -0.475 20 0 DBADRM CC(C)[C@@H](CO)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000394172857 972680288 /nfs/dbraw/zinc/68/02/88/972680288.db2.gz AKZCIMSSUCFEBX-SECBINFHSA-N -1 0 305.356 -0.490 20 0 DBADRM CC(C)[C@H](CO)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000394174639 972680301 /nfs/dbraw/zinc/68/03/01/972680301.db2.gz FXPGZCLFYNOIIK-NSHDSACASA-N -1 0 308.400 -0.118 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)o1 ZINC000394660061 972732451 /nfs/dbraw/zinc/73/24/51/972732451.db2.gz CPIDYOBPFGYROK-VIFPVBQESA-N -1 0 315.351 -0.744 20 0 DBADRM COCC1(O)CN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000395264053 972783774 /nfs/dbraw/zinc/78/37/74/972783774.db2.gz LAISFTASJZTFCE-UHFFFAOYSA-N -1 0 315.347 -0.092 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C[C@H]1O ZINC000395993553 972844157 /nfs/dbraw/zinc/84/41/57/972844157.db2.gz VLJIKSGYOFZTKL-NXEZZACHSA-N -1 0 304.324 -0.897 20 0 DBADRM Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])nn1 ZINC000396443968 972890691 /nfs/dbraw/zinc/89/06/91/972890691.db2.gz XLOLASWJFJXBQI-VIFPVBQESA-N -1 0 313.335 -0.501 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC000396999923 972958907 /nfs/dbraw/zinc/95/89/07/972958907.db2.gz ABGJHOPSLSZWHS-GARJFASQSA-N -1 0 318.395 -0.115 20 0 DBADRM Cc1ncc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)o1 ZINC000398062144 973061358 /nfs/dbraw/zinc/06/13/58/973061358.db2.gz KMBWKJWQVMRSJU-UHFFFAOYSA-N -1 0 300.296 -0.257 20 0 DBADRM Cn1nnc(CNS(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000398156878 973076562 /nfs/dbraw/zinc/07/65/62/973076562.db2.gz UTHRJGZPEAXVJH-UHFFFAOYSA-N -1 0 303.325 -0.552 20 0 DBADRM COC(=O)c1ccccc1S(=O)(=O)NC[C@@H](O)CC(=O)[O-] ZINC000398217865 973084609 /nfs/dbraw/zinc/08/46/09/973084609.db2.gz BCQYXUNCXBNDII-QMMMGPOBSA-N -1 0 317.319 -0.413 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)CC(=O)[O-] ZINC000398259227 973094743 /nfs/dbraw/zinc/09/47/43/973094743.db2.gz ATCDZYFJCLKINI-UWVGGRQHSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)C(=O)N1CCC(C(=O)NC[C@H](O)CC(=O)[O-])CC1 ZINC000398426965 973140243 /nfs/dbraw/zinc/14/02/43/973140243.db2.gz SBTPVLWXFBOBAZ-LLVKDONJSA-N -1 0 300.355 -0.167 20 0 DBADRM CNC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000398522297 973151633 /nfs/dbraw/zinc/15/16/33/973151633.db2.gz XCWNQBIPBZVUBK-ZCFIWIBFSA-N -1 0 303.296 -0.871 20 0 DBADRM C[C@@H]1C[C@@H](CO)CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000398742290 973168335 /nfs/dbraw/zinc/16/83/35/973168335.db2.gz MMDPEDQPWZHLEQ-HTQZYQBOSA-N -1 0 303.340 -0.253 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398824195 973174632 /nfs/dbraw/zinc/17/46/32/973174632.db2.gz JRNHDBVBXUSFPG-AXFHLTTASA-N -1 0 306.384 -0.270 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2C[C@H](O)CC[C@H]2C)c1C(=O)[O-] ZINC000399198815 973202071 /nfs/dbraw/zinc/20/20/71/973202071.db2.gz FEALDAMQRGLILD-HTRCEHHLSA-N -1 0 303.340 -0.050 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001487977247 1014090025 /nfs/dbraw/zinc/09/00/25/1014090025.db2.gz LWPGQTJRTYPTJV-KXUCPTDWSA-N -1 0 310.354 -0.323 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC000400187585 973258493 /nfs/dbraw/zinc/25/84/93/973258493.db2.gz UYMWNHWQXRBACD-QMMMGPOBSA-N -1 0 300.340 -0.567 20 0 DBADRM CO[C@@]1(CO)CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000401723012 973379333 /nfs/dbraw/zinc/37/93/33/973379333.db2.gz KEXNAIRHTDPPQO-LBPRGKRZSA-N -1 0 318.351 -0.125 20 0 DBADRM Cn1cncc1CCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000401710973 973380132 /nfs/dbraw/zinc/38/01/32/973380132.db2.gz HZOLYPZFXNRCGJ-UHFFFAOYSA-N -1 0 312.351 -0.022 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401781201 973387695 /nfs/dbraw/zinc/38/76/95/973387695.db2.gz HLOSHYCQWPHUQT-NXEZZACHSA-N -1 0 315.370 -0.232 20 0 DBADRM NC(=O)c1ccccc1NC(=O)CN1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401807114 973402592 /nfs/dbraw/zinc/40/25/92/973402592.db2.gz ARYQYRQSUHNMDA-UWVGGRQHSA-N -1 0 321.333 -0.509 20 0 DBADRM C[C@@H]1[C@H](NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CCS1(=O)=O ZINC000401811571 973407516 /nfs/dbraw/zinc/40/75/16/973407516.db2.gz DNECKRYMWXLTHG-UTINFBMNSA-N -1 0 320.367 -0.961 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)CCNC(=O)c2ccco2)C1 ZINC000401818604 973416931 /nfs/dbraw/zinc/41/69/31/973416931.db2.gz ISJGKRFLXKHNLV-VHSXEESVSA-N -1 0 310.306 -0.307 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000401844232 973443509 /nfs/dbraw/zinc/44/35/09/973443509.db2.gz VZSSYGIDQIJDAP-BBBLOLIVSA-N -1 0 320.367 -0.959 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000401844233 973443572 /nfs/dbraw/zinc/44/35/72/973443572.db2.gz VZSSYGIDQIJDAP-KXUCPTDWSA-N -1 0 320.367 -0.959 20 0 DBADRM N#Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1 ZINC000401902452 973509258 /nfs/dbraw/zinc/50/92/58/973509258.db2.gz DZZSQGIKMQFZKM-PSASIEDQSA-N -1 0 311.319 -0.591 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCC(=O)N2CCCCC2)C1 ZINC000401904877 973513336 /nfs/dbraw/zinc/51/33/36/973513336.db2.gz SURJXVPJXGVIEY-GHMZBOCLSA-N -1 0 313.354 -0.524 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@](C)(O)C2CCC2)CCO1 ZINC001604541159 973514083 /nfs/dbraw/zinc/51/40/83/973514083.db2.gz KAERBKVGBFKXCQ-UONOGXRCSA-N -1 0 301.339 -0.134 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H](CC(C)C)C(N)=O)CCO1 ZINC001604541304 973517905 /nfs/dbraw/zinc/51/79/05/973517905.db2.gz MPWIDFCESZEVBZ-HZMBPMFUSA-N -1 0 316.354 -0.537 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H](CC(C)C)C(N)=O)CCO1 ZINC001604541313 973518076 /nfs/dbraw/zinc/51/80/76/973518076.db2.gz MPWIDFCESZEVBZ-YGRLFVJLSA-N -1 0 316.354 -0.537 20 0 DBADRM C[S@](=O)C1(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1 ZINC000401907284 973518610 /nfs/dbraw/zinc/51/86/10/973518610.db2.gz IKTHMGKICXWYLX-ZLVALASMSA-N -1 0 304.368 -0.626 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1 ZINC000401911143 973524767 /nfs/dbraw/zinc/52/47/67/973524767.db2.gz LDFLAKDNBOMWFD-WRWGMCAJSA-N -1 0 320.411 -0.024 20 0 DBADRM Cc1nnc(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)s1 ZINC000401925010 973538917 /nfs/dbraw/zinc/53/89/17/973538917.db2.gz QMXPTULVIBKVKW-YUMQZZPRSA-N -1 0 300.340 -0.176 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC000401939087 973547273 /nfs/dbraw/zinc/54/72/73/973547273.db2.gz NYHVZUBDYWQVEZ-IJLUTSLNSA-N -1 0 320.349 -0.261 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(Cc2nnnn2-c2ccccc2)C1 ZINC000401940347 973547541 /nfs/dbraw/zinc/54/75/41/973547541.db2.gz FQTZYVSUFZDKPE-CMPLNLGQSA-N -1 0 303.322 -0.070 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401968384 973573221 /nfs/dbraw/zinc/57/32/21/973573221.db2.gz IFVUDEXPVZLBEN-RQJHMYQMSA-N -1 0 323.758 -0.470 20 0 DBADRM Cc1c(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cnn1C ZINC000401967759 973573664 /nfs/dbraw/zinc/57/36/64/973573664.db2.gz HFKVIFZZDCJPJV-IUCAKERBSA-N -1 0 303.340 -0.815 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401975247 973583597 /nfs/dbraw/zinc/58/35/97/973583597.db2.gz SLZBJZCKCJACIY-BDAKNGLRSA-N -1 0 309.340 -0.963 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401975954 973585054 /nfs/dbraw/zinc/58/50/54/973585054.db2.gz ULICKGFTHSOXHN-BDAKNGLRSA-N -1 0 303.340 -0.517 20 0 DBADRM CC[C@H](CNC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC001573796281 1026637041 /nfs/dbraw/zinc/63/70/41/1026637041.db2.gz URTNHOLUJNDWQE-MRVPVSSYSA-N -1 0 307.372 -0.871 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](F)C(=O)[O-])C1 ZINC001573807343 1026638526 /nfs/dbraw/zinc/63/85/26/1026638526.db2.gz HOZBAFCVPJYQRQ-PSASIEDQSA-N -1 0 310.347 -0.461 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)Nc1[nH]nc(C(=O)[O-])c1C ZINC001573807796 1026639433 /nfs/dbraw/zinc/63/94/33/1026639433.db2.gz ZFDMMIFYKLWGCA-UHFFFAOYSA-N -1 0 304.328 -0.364 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC000405229213 973793592 /nfs/dbraw/zinc/79/35/92/973793592.db2.gz UZRLMPJPGXNNPD-VHSXEESVSA-N -1 0 321.399 -0.132 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCN2CCCC2=O)c[nH]1 ZINC000405475582 973888985 /nfs/dbraw/zinc/88/89/85/973888985.db2.gz HIAKUPXZVRYFCI-UHFFFAOYSA-N -1 0 301.324 -0.386 20 0 DBADRM O=C([O-])CCCCCNC(=O)NCCN1CCCS1(=O)=O ZINC000406050916 973915199 /nfs/dbraw/zinc/91/51/99/973915199.db2.gz VRZVLUSMZGEGJL-UHFFFAOYSA-N -1 0 321.399 -0.034 20 0 DBADRM C/C=C(\C)C(=O)NC[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001527231672 1014203804 /nfs/dbraw/zinc/20/38/04/1014203804.db2.gz KLHLGJHUUQZYBP-RZCNENHTSA-N -1 0 323.353 -0.380 20 0 DBADRM C/C=C(/C)C(=O)NC[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001527231670 1014203976 /nfs/dbraw/zinc/20/39/76/1014203976.db2.gz KLHLGJHUUQZYBP-KSXVILFYSA-N -1 0 323.353 -0.380 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CCNC(=O)c2cn(C)nn2)c1[O-] ZINC001527538170 1014264399 /nfs/dbraw/zinc/26/43/99/1014264399.db2.gz IOVBGRISGQUNPX-SSDOTTSWSA-N -1 0 321.341 -0.509 20 0 DBADRM CC(C)OCCCNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001591722852 975667718 /nfs/dbraw/zinc/66/77/18/975667718.db2.gz UQXWACSESXPPAT-MNOVXSKESA-N -1 0 316.354 -0.382 20 0 DBADRM CCC(=O)N[C@H](C)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001527710483 1014281259 /nfs/dbraw/zinc/28/12/59/1014281259.db2.gz KIOHAQJFKFNZTA-SECBINFHSA-N -1 0 320.353 -0.508 20 0 DBADRM CCN(CCNC(=O)c1ccn(C)n1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596336073 1017132063 /nfs/dbraw/zinc/13/20/63/1017132063.db2.gz YWDKMQUSLLKJIL-VHSXEESVSA-N -1 0 308.338 -0.281 20 0 DBADRM CC[C@@H](C)C(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001527931984 1014312622 /nfs/dbraw/zinc/31/26/22/1014312622.db2.gz KNWSSCNIWULIJJ-SECBINFHSA-N -1 0 310.354 -0.280 20 0 DBADRM CCC(=O)NCC(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001528041561 1014342387 /nfs/dbraw/zinc/34/23/87/1014342387.db2.gz IOLAWWCYCPIVEG-UHFFFAOYSA-N -1 0 311.342 -0.862 20 0 DBADRM Cc1nc[nH]c1CC(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001528041380 1014342981 /nfs/dbraw/zinc/34/29/81/1014342981.db2.gz GZLDVVQKKJLMGI-UHFFFAOYSA-N -1 0 320.353 -0.114 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)Cc2ccn(C)n2)c1[O-] ZINC001528113996 1014360591 /nfs/dbraw/zinc/36/05/91/1014360591.db2.gz FNFNEAOHVLMXCZ-UHFFFAOYSA-N -1 0 320.353 -0.412 20 0 DBADRM O=C(N[N-]S(=O)(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000007728568 977394580 /nfs/dbraw/zinc/39/45/80/977394580.db2.gz FAGKOMPAZWEKIG-SSDOTTSWSA-N -1 0 324.405 -0.508 20 0 DBADRM CN1N=C(C(=O)N[N-]C(=O)c2n[nH]c3c2CCCC3)CCC1=O ZINC000013295007 977395159 /nfs/dbraw/zinc/39/51/59/977395159.db2.gz VAIWWHXXRFNRKN-UHFFFAOYSA-N -1 0 318.337 -0.342 20 0 DBADRM COc1cc(COCC(=O)N2CCO[C@@H](C(=O)[O-])C2)ccn1 ZINC000909216258 977434170 /nfs/dbraw/zinc/43/41/70/977434170.db2.gz FNZJNNXSQDKQBJ-LLVKDONJSA-N -1 0 310.306 -0.081 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2[C@H](C(=O)[O-])C[C@@H]3OCC[C@@H]32)C1 ZINC000926596827 977446146 /nfs/dbraw/zinc/44/61/46/977446146.db2.gz OZXZQBARBSRCCT-RCWTZXSCSA-N -1 0 304.368 -0.111 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2OCC[C@@H]2N1S(=O)(=O)C[C@H]1CCOC1 ZINC000926596196 977446159 /nfs/dbraw/zinc/44/61/59/977446159.db2.gz LNEYJXCYCUTGQK-NAKRPEOUSA-N -1 0 305.352 -0.331 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947758261 977450450 /nfs/dbraw/zinc/45/04/50/977450450.db2.gz KTYJQMFESWUAHY-ZJUUUORDSA-N -1 0 319.369 -0.055 20 0 DBADRM C=C/C(C)=C/CC(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001528454544 1014415286 /nfs/dbraw/zinc/41/52/86/1014415286.db2.gz RKXFNLGYDTWORB-WEVVVXLNSA-N -1 0 321.337 -0.007 20 0 DBADRM Cn1nncc1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052350031 977703143 /nfs/dbraw/zinc/70/31/43/977703143.db2.gz NKTKNKREANSTPU-SECBINFHSA-N -1 0 320.357 -0.577 20 0 DBADRM O=C(Cn1nccn1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052418305 977728745 /nfs/dbraw/zinc/72/87/45/977728745.db2.gz KHGXQXGBXBMYQR-SNVBAGLBSA-N -1 0 320.357 -0.727 20 0 DBADRM CCC(C)(C)C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001528477876 1014422049 /nfs/dbraw/zinc/42/20/49/1014422049.db2.gz DJWHIMSQDKOSRG-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052713774 977805987 /nfs/dbraw/zinc/80/59/87/977805987.db2.gz HEZWFLFKSGPAJF-BBBLOLIVSA-N -1 0 322.369 -0.898 20 0 DBADRM O=C(Cn1cncn1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052918005 977835955 /nfs/dbraw/zinc/83/59/55/977835955.db2.gz LOOAOGAHWNIWSZ-JTQLQIEISA-N -1 0 320.357 -0.727 20 0 DBADRM CC(C)C(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001053075659 977849390 /nfs/dbraw/zinc/84/93/90/977849390.db2.gz UOABJTXLRDMPRJ-DTWKUNHWSA-N -1 0 323.353 -0.237 20 0 DBADRM CC(C)(F)C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053120066 977855171 /nfs/dbraw/zinc/85/51/71/977855171.db2.gz KWIYWVUAUXXIOW-UHFFFAOYSA-N -1 0 313.333 -0.328 20 0 DBADRM CC(F)(F)C(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053717414 978037159 /nfs/dbraw/zinc/03/71/59/978037159.db2.gz MNXINDPPZHKPLU-ZETCQYMHSA-N -1 0 317.296 -0.375 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1ccn[nH]1 ZINC001053744071 978048305 /nfs/dbraw/zinc/04/83/05/978048305.db2.gz FQVGZGLSIYBYSL-MRVPVSSYSA-N -1 0 319.325 -0.993 20 0 DBADRM CN(CCNC(=O)C(C)(C)C)C(=O)c1cnc([O-])n(C)c1=O ZINC001528637225 1014450976 /nfs/dbraw/zinc/45/09/76/1014450976.db2.gz XSLGSBQTDHFQJR-UHFFFAOYSA-N -1 0 310.354 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2COC3(CN(CCCO)C3)C2)c1[O-] ZINC001053774679 978066995 /nfs/dbraw/zinc/06/69/95/978066995.db2.gz HOKYBYPHAVBJBZ-JTQLQIEISA-N -1 0 310.354 -0.621 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCn1ccnc1 ZINC001208252887 978328032 /nfs/dbraw/zinc/32/80/32/978328032.db2.gz YFYPIWVMCUOBBG-GHMZBOCLSA-N -1 0 319.369 -0.266 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208827439 978410629 /nfs/dbraw/zinc/41/06/29/978410629.db2.gz JOECQRRVGLLGIN-FBIMIBRVSA-N -1 0 324.385 -0.639 20 0 DBADRM Cc1occc1-n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001211237256 978560163 /nfs/dbraw/zinc/56/01/63/978560163.db2.gz LJJNEEAHUZHPBQ-UHFFFAOYSA-N -1 0 301.284 -0.401 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CC(F)(F)F ZINC001211974821 978600921 /nfs/dbraw/zinc/60/09/21/978600921.db2.gz GOMQZCBLBQNGRX-RNFRBKRXSA-N -1 0 323.275 -0.222 20 0 DBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]N3CCCC3=O)cc2C1=O ZINC001213343838 978670085 /nfs/dbraw/zinc/67/00/85/978670085.db2.gz QBBTXOBTFKVZKN-UHFFFAOYSA-N -1 0 323.330 -0.272 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 ZINC001213913206 978696968 /nfs/dbraw/zinc/69/69/68/978696968.db2.gz XNONGFUSTMYLBN-UHFFFAOYSA-N -1 0 316.335 -0.262 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)[C@@H]1COCCN1 ZINC001218964315 978863033 /nfs/dbraw/zinc/86/30/33/978863033.db2.gz ZCTACLQOUZLMBC-VIFPVBQESA-N -1 0 311.319 -0.954 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCN2C(=O)NC(C)(C)C2=O)c1[O-] ZINC001529239580 1014534774 /nfs/dbraw/zinc/53/47/74/1014534774.db2.gz TWVYROTYSONNME-UHFFFAOYSA-N -1 0 309.326 -0.126 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1=O ZINC001596401384 1017136512 /nfs/dbraw/zinc/13/65/12/1017136512.db2.gz CFKMJUZTULINKF-VHSXEESVSA-N -1 0 302.352 -0.300 20 0 DBADRM O=C(NCCOP(=O)([O-])[O-])[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220221194 979138628 /nfs/dbraw/zinc/13/86/28/979138628.db2.gz UWRXKKVZTPMBAE-QWRGUYRKSA-N -1 0 321.314 -0.714 20 0 DBADRM O=C(NCCOP(=O)([O-])[O-])[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001220221188 979140400 /nfs/dbraw/zinc/14/04/00/979140400.db2.gz UMFVTJLILZHKQJ-NSHDSACASA-N -1 0 300.251 -0.074 20 0 DBADRM C[C@@H](CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC1 ZINC001221108217 979366073 /nfs/dbraw/zinc/36/60/73/979366073.db2.gz SSUFXPWZQYIQMR-GDPRMGEGSA-N -1 0 309.370 -0.392 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCc1cocn1 ZINC001223136084 979540853 /nfs/dbraw/zinc/54/08/53/979540853.db2.gz RAROWOZBAKZFQN-LLVKDONJSA-N -1 0 306.340 -0.220 20 0 DBADRM O=C([O-])CC[C@@H](O)C(=O)OCc1nc(-c2cc[n+]([O-])cc2)no1 ZINC001223396244 979547021 /nfs/dbraw/zinc/54/70/21/979547021.db2.gz NDRBCXCVAZEEJT-SECBINFHSA-N -1 0 323.261 -0.361 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)OCc1nc(-c2cc[n+]([O-])cc2)no1 ZINC001223395611 979548058 /nfs/dbraw/zinc/54/80/58/979548058.db2.gz GERAEOQHLPOCBZ-MRVPVSSYSA-N -1 0 309.234 -0.751 20 0 DBADRM O=C(Cc1c[nH]cn1)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001224666002 979579918 /nfs/dbraw/zinc/57/99/18/979579918.db2.gz PTDXYYYKLUHTMQ-UHFFFAOYSA-N -1 0 319.369 -0.196 20 0 DBADRM C[N@@H+]1CCCC[C@@H]1COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001224707783 979581577 /nfs/dbraw/zinc/58/15/77/979581577.db2.gz SQIMKFZHKJDOER-YWVKMMECSA-N -1 0 303.311 -0.450 20 0 DBADRM COC(=O)[C@@H](CCOC(=O)[C@H](O)CCC(=O)[O-])OC(C)=O ZINC001224837593 979587501 /nfs/dbraw/zinc/58/75/01/979587501.db2.gz NKLVUCQKQRSJGZ-RKDXNWHRSA-N -1 0 306.267 -0.750 20 0 DBADRM COC(=O)C[C@H](Oc1nc(C(=O)OC)cc(=O)[n-]1)C(=O)OC ZINC001225735838 979604030 /nfs/dbraw/zinc/60/40/30/979604030.db2.gz YSUSUMCMBKLDFZ-ZETCQYMHSA-N -1 0 314.250 -0.548 20 0 DBADRM C[C@H]1[C@@H](Oc2c([O-])c(=O)c(=O)c2=O)CN1C(=O)OC(C)(C)C ZINC001225831518 979608475 /nfs/dbraw/zinc/60/84/75/979608475.db2.gz WPHHVAHIVRHNJG-BQBZGAKWSA-N -1 0 311.290 -0.265 20 0 DBADRM CC1(C)O[C@H]2O[C@@H]3[C@H](Oc4nncc(=O)[n-]4)C(=O)O[C@@H]3[C@H]2O1 ZINC001226167918 979621786 /nfs/dbraw/zinc/62/17/86/979621786.db2.gz MHZXNOUONXUWGO-UFNQKSLJSA-N -1 0 311.250 -0.874 20 0 DBADRM O=c1cnnc(O[C@@H](C[n+]2ccccc2)CS(=O)(=O)[O-])[n-]1 ZINC001226169276 979622652 /nfs/dbraw/zinc/62/26/52/979622652.db2.gz FDMCRUWIAMWISN-VIFPVBQESA-O -1 0 313.315 -0.800 20 0 DBADRM O=c1ccnc(O[C@@H](C[n+]2ccccc2)CS(=O)(=O)[O-])[n-]1 ZINC001226327184 979629492 /nfs/dbraw/zinc/62/94/92/979629492.db2.gz SAEKBCJFWVKTKZ-JTQLQIEISA-O -1 0 312.327 -0.195 20 0 DBADRM CCNC(=O)CC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001227006327 979651565 /nfs/dbraw/zinc/65/15/65/979651565.db2.gz NZEVQIJQQQDCDF-UHFFFAOYSA-N -1 0 310.358 -0.883 20 0 DBADRM O=c1[nH]cncc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001227048611 979658995 /nfs/dbraw/zinc/65/89/95/979658995.db2.gz HNEACRIDRQLINR-SECBINFHSA-N -1 0 319.339 -0.850 20 0 DBADRM COc1cc(/C=C/C(N)=O)ccc1OC(=O)[C@@H](O)CC(=O)[O-] ZINC001229489911 979678413 /nfs/dbraw/zinc/67/84/13/979678413.db2.gz FEMKIDDLFDUHNT-SGRBOOSSSA-N -1 0 309.274 -0.065 20 0 DBADRM CC[C@H](CNC(=O)c1cnn(C)c1)Nc1ccnc(C(=O)[O-])n1 ZINC001595163434 979696071 /nfs/dbraw/zinc/69/60/71/979696071.db2.gz MXBXIONMOACDAR-SNVBAGLBSA-N -1 0 318.337 -0.049 20 0 DBADRM CC[C@H](CNC(=O)c1cn(C)cn1)Nc1ccnc(C(=O)[O-])n1 ZINC001595163490 979696864 /nfs/dbraw/zinc/69/68/64/979696864.db2.gz RKRVBXCVUPZSAC-SECBINFHSA-N -1 0 318.337 -0.049 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001325279368 979710348 /nfs/dbraw/zinc/71/03/48/979710348.db2.gz OGEFYPBQZOJXGA-UTUOFQBUSA-N -1 0 316.354 -0.619 20 0 DBADRM O=C([O-])COCCNC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC001326421322 979736554 /nfs/dbraw/zinc/73/65/54/979736554.db2.gz KMTGKYQTDKASGD-QMMMGPOBSA-N -1 0 314.260 -0.533 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCS(=O)(=O)C(C)(C)C ZINC001326639496 979749215 /nfs/dbraw/zinc/74/92/15/979749215.db2.gz CHYSKQGMAUWDNG-UHFFFAOYSA-N -1 0 310.372 -0.990 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)[C@H]1CCCOC1 ZINC001326675319 979752734 /nfs/dbraw/zinc/75/27/34/979752734.db2.gz KSQCZRRRZMWPOB-UWVGGRQHSA-N -1 0 301.343 -0.898 20 0 DBADRM CCC[C@@H]1CN(C(=O)C(=O)NCC(=O)[N-]OCC)CCO1 ZINC001326716083 979760292 /nfs/dbraw/zinc/76/02/92/979760292.db2.gz LTAOUZWYUYNRQQ-SNVBAGLBSA-N -1 0 301.343 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC(C)(C)C(C)(C)O ZINC001326727122 979762891 /nfs/dbraw/zinc/76/28/91/979762891.db2.gz VKIWBXASEXNEEP-UHFFFAOYSA-N -1 0 303.359 -0.916 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCOC[C@@H]1C1CCC1 ZINC001326748745 979762939 /nfs/dbraw/zinc/76/29/39/979762939.db2.gz AYYLXFIRRFXPQR-LLVKDONJSA-N -1 0 313.354 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(N2CCNC2=O)CC1 ZINC001326937537 979779013 /nfs/dbraw/zinc/77/90/13/979779013.db2.gz ZELYOIAYHPEQIG-UHFFFAOYSA-N -1 0 313.358 -0.747 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)c1cn(C)nc1C ZINC001326963350 979783064 /nfs/dbraw/zinc/78/30/64/979783064.db2.gz NOCAXHWPQDIPCR-QMMMGPOBSA-N -1 0 311.342 -0.910 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC001327037924 979788141 /nfs/dbraw/zinc/78/81/41/979788141.db2.gz JXPNGIJXEDBPLE-VIFPVBQESA-N -1 0 301.343 -0.804 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CC)C[C@H]1CCOC1 ZINC001327038039 979788710 /nfs/dbraw/zinc/78/87/10/979788710.db2.gz KPPBUHOYKRQGAM-SNVBAGLBSA-N -1 0 301.343 -0.945 20 0 DBADRM CN1CC(=O)N(CC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC001327204235 979797861 /nfs/dbraw/zinc/79/78/61/979797861.db2.gz AIUKVVDMTCBORK-MRVPVSSYSA-N -1 0 322.325 -0.890 20 0 DBADRM COC(=O)C1=CC[C@@H](NC(=O)C(=O)[N-]OCCSC)C1 ZINC001330426610 979822743 /nfs/dbraw/zinc/82/27/43/979822743.db2.gz UEHQPNMSFKSHMG-SECBINFHSA-N -1 0 302.352 -0.225 20 0 DBADRM O=C(/C=C\CN1CCOCC1)N1CCc2nc[nH]c(=O)c2C1 ZINC001330455192 979823584 /nfs/dbraw/zinc/82/35/84/979823584.db2.gz ZCCSSNLYWQEYNS-UPHRSURJSA-N -1 0 304.350 -0.045 20 0 DBADRM CCN1CC[C@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001596415823 1017138523 /nfs/dbraw/zinc/13/85/23/1017138523.db2.gz VDZZWUDCMDDRPH-UTUOFQBUSA-N -1 0 311.382 -0.234 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC1CC2(CC2(F)F)C1 ZINC001331056351 979853281 /nfs/dbraw/zinc/85/32/81/979853281.db2.gz UPVIHCRXMWMPCG-UHFFFAOYSA-N -1 0 305.281 -0.526 20 0 DBADRM CC1(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC(F)(F)C1 ZINC001331536139 979886586 /nfs/dbraw/zinc/88/65/86/979886586.db2.gz OGBZHBZKJZTRKY-MRVPVSSYSA-N -1 0 320.292 -0.150 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCCCC(=O)N(C)C ZINC001343019500 979916381 /nfs/dbraw/zinc/91/63/81/979916381.db2.gz GEOVUBUSMBCVMY-UHFFFAOYSA-N -1 0 303.359 -0.013 20 0 DBADRM C[C@@H](C[C@H]1CCOC1)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001343036036 979917871 /nfs/dbraw/zinc/91/78/71/979917871.db2.gz APQGMTLVAKZQDT-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCOC[C@@H]1C1CC1 ZINC001343131645 979921804 /nfs/dbraw/zinc/92/18/04/979921804.db2.gz NVTDDTBBCIUKLP-GFCCVEGCSA-N -1 0 316.354 -0.075 20 0 DBADRM CC(C)=CC(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001344191173 979987610 /nfs/dbraw/zinc/98/76/10/979987610.db2.gz ISJLSJUKVMGFBH-DTORHVGOSA-N -1 0 321.337 -0.126 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccnc3c2nnn3C)C1=O ZINC001344677545 980004239 /nfs/dbraw/zinc/00/42/39/980004239.db2.gz XPBIGLZBPVDTDH-CYBMUJFWSA-N -1 0 317.309 -0.271 20 0 DBADRM COC[C@@H]1CC[C@@H]([C@@H]2COCCN2CCOCC(=O)[O-])O1 ZINC001345137324 980032817 /nfs/dbraw/zinc/03/28/17/980032817.db2.gz LLFYDWOIJFBHOM-AVGNSLFASA-N -1 0 303.355 -0.018 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)NC[C@H]1CNC(=O)C1)C(=O)[O-] ZINC001345596400 980067802 /nfs/dbraw/zinc/06/78/02/980067802.db2.gz QDKZSWUZMIMCQT-SECBINFHSA-N -1 0 313.354 -0.754 20 0 DBADRM CCN1CC[C@H]1CNC(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001596415714 1017138771 /nfs/dbraw/zinc/13/87/71/1017138771.db2.gz UEGKQGQSQWEHRI-LBPRGKRZSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC[C@H]1O ZINC001345942737 980101056 /nfs/dbraw/zinc/10/10/56/980101056.db2.gz GXNRTFRQPDUXIR-WDEREUQCSA-N -1 0 312.366 -0.071 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1cn2c(cccc2C)n1 ZINC001346191384 980117792 /nfs/dbraw/zinc/11/77/92/980117792.db2.gz VLGARSFSBBQTNR-UHFFFAOYSA-N -1 0 306.322 -0.047 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@H]1CCCN(C(C)=O)C1 ZINC001346254746 980123736 /nfs/dbraw/zinc/12/37/36/980123736.db2.gz VOMVKALVWKYYQF-GFCCVEGCSA-N -1 0 315.370 -0.555 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1sc(C)nc1C ZINC001346371540 980136396 /nfs/dbraw/zinc/13/63/96/980136396.db2.gz ZLZHSTATXMDJGR-UHFFFAOYSA-N -1 0 314.367 -0.440 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC001346383192 980138353 /nfs/dbraw/zinc/13/83/53/980138353.db2.gz CNMHQDLDSQSDOL-AXFHLTTASA-N -1 0 313.354 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC(C)(C)OC[C@H]1CC ZINC001346414986 980141027 /nfs/dbraw/zinc/14/10/27/980141027.db2.gz LDMQHJTZOQBFKV-SNVBAGLBSA-N -1 0 315.370 -0.414 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC001346481617 980144856 /nfs/dbraw/zinc/14/48/56/980144856.db2.gz PGGOGIRVDNBFEC-UHFFFAOYSA-N -1 0 321.399 -0.768 20 0 DBADRM CC(C)c1noc(CCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])n1 ZINC001346519419 980148606 /nfs/dbraw/zinc/14/86/06/980148606.db2.gz WOWTXLKRYMHUSV-MRVPVSSYSA-N -1 0 312.326 -0.311 20 0 DBADRM CSc1nnc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])s1 ZINC001346516059 980149456 /nfs/dbraw/zinc/14/94/56/980149456.db2.gz MEIAJAXVEXXDCJ-YFKPBYRVSA-N -1 0 318.380 -0.287 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC001346520038 980149664 /nfs/dbraw/zinc/14/96/64/980149664.db2.gz ZOXJCBSZWMQDAN-ONGXEEELSA-N -1 0 313.354 -0.802 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC001346581278 980155993 /nfs/dbraw/zinc/15/59/93/980155993.db2.gz UNHUTRAXOBNVKL-NSHDSACASA-N -1 0 323.353 -0.655 20 0 DBADRM COc1ccccc1CO[N-]C(=O)C(=O)N[C@@H](C)C(=O)N(C)C ZINC001346759090 980168434 /nfs/dbraw/zinc/16/84/34/980168434.db2.gz OXEKOSUBYMQJKA-JTQLQIEISA-N -1 0 323.349 -0.164 20 0 DBADRM CN(C[C@H]1CCN(C(=O)C2CC2)C1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001530114652 1014635245 /nfs/dbraw/zinc/63/52/45/1014635245.db2.gz LKFLYVUPJQFNAZ-SECBINFHSA-N -1 0 323.353 -0.594 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)C2CC2)C1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001530114653 1014636178 /nfs/dbraw/zinc/63/61/78/1014636178.db2.gz LKFLYVUPJQFNAZ-VIFPVBQESA-N -1 0 323.353 -0.594 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC001347103699 980199180 /nfs/dbraw/zinc/19/91/80/980199180.db2.gz BQFBNJKZKXTCTA-ZWNOBZJWSA-N -1 0 318.395 -0.149 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC001347212405 980206394 /nfs/dbraw/zinc/20/63/94/980206394.db2.gz PSPOYEALANCQJW-UHFFFAOYSA-N -1 0 321.333 -0.717 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)[N-]OC2CCOCC2)[C@H]1OC ZINC001347234945 980208874 /nfs/dbraw/zinc/20/88/74/980208874.db2.gz OGRXPFIJUOLINV-QJPTWQEYSA-N -1 0 316.354 -0.478 20 0 DBADRM CC(C)(O)CO[N-]C(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001347474615 980224030 /nfs/dbraw/zinc/22/40/30/980224030.db2.gz UYCGQEZPZSPOLF-UHFFFAOYSA-N -1 0 306.384 -0.237 20 0 DBADRM O=C(NCCCc1cc(=O)[nH][nH]1)c1c[n-]n2c1nccc2=O ZINC001347785636 980250769 /nfs/dbraw/zinc/25/07/69/980250769.db2.gz QJKVUQLREBJRHA-UHFFFAOYSA-N -1 0 302.294 -0.592 20 0 DBADRM CCOCCn1cc(C(=O)[N-]S(=O)(=O)CC(=O)OC)cn1 ZINC001347942078 980253313 /nfs/dbraw/zinc/25/33/13/980253313.db2.gz XLIKYTRGHZKODT-UHFFFAOYSA-N -1 0 319.339 -0.848 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cc(C2CCOCC2)nn1C)C(=O)[O-] ZINC001348243385 980272266 /nfs/dbraw/zinc/27/22/66/980272266.db2.gz FKDYZMJPQALAEM-MRVPVSSYSA-N -1 0 324.337 -0.158 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001595278618 980312651 /nfs/dbraw/zinc/31/26/51/980312651.db2.gz GWPXOOCOJKPDDR-UWVGGRQHSA-N -1 0 309.326 -0.336 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001595278875 980315591 /nfs/dbraw/zinc/31/55/91/980315591.db2.gz KQHMQWZAEIIBQQ-DCAQKATOSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@@H](F)C(=O)NCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001349241505 980441761 /nfs/dbraw/zinc/44/17/61/980441761.db2.gz XUIGAKGUFXHADZ-MRVPVSSYSA-N -1 0 317.321 -0.550 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCCNC(=O)C1CC1 ZINC001349587869 980487706 /nfs/dbraw/zinc/48/77/06/980487706.db2.gz IYKDUBPRHOBJCZ-UHFFFAOYSA-N -1 0 311.342 -0.498 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cn(C)c2c(cnn2C)c1=O ZINC001349644575 980493726 /nfs/dbraw/zinc/49/37/26/980493726.db2.gz ONTLWCUHOOSTIO-UHFFFAOYSA-N -1 0 307.310 -0.931 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)CN2CCCC2=O)c1[O-] ZINC001349677136 980496306 /nfs/dbraw/zinc/49/63/06/980496306.db2.gz CENHNEBSCFITAJ-UHFFFAOYSA-N -1 0 323.353 -0.718 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)c1c(C)noc1C ZINC001349710318 980498979 /nfs/dbraw/zinc/49/89/79/980498979.db2.gz FPRIHKBYUNKFLO-SSDOTTSWSA-N -1 0 312.326 -0.347 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC001349727566 980501052 /nfs/dbraw/zinc/50/10/52/980501052.db2.gz UFGQJNVUYHNWBD-QMMMGPOBSA-N -1 0 314.367 -0.187 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1(COC)CCC1 ZINC001349729938 980502382 /nfs/dbraw/zinc/50/23/82/980502382.db2.gz RLMPSJDJRWMQCT-UHFFFAOYSA-N -1 0 301.343 -0.897 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@@H]1COC ZINC001349752106 980505426 /nfs/dbraw/zinc/50/54/26/980505426.db2.gz BUMNURMALJHZKQ-SNVBAGLBSA-N -1 0 301.343 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001349755844 980506075 /nfs/dbraw/zinc/50/60/75/980506075.db2.gz VJBYSZBNOMUPFT-MWLCHTKSSA-N -1 0 313.354 -0.804 20 0 DBADRM CC[C@@H](O)[C@H](C)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001595325895 980535003 /nfs/dbraw/zinc/53/50/03/980535003.db2.gz CWWGGDZJGKDCSV-NWDGAFQWSA-N -1 0 302.371 -0.361 20 0 DBADRM CC[C@@H](O)CCCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001595328367 980555322 /nfs/dbraw/zinc/55/53/22/980555322.db2.gz QYPBZEGXYHSZHV-MNOVXSKESA-N -1 0 300.355 -0.023 20 0 DBADRM O=C([N-]S(=O)(=O)CC[C@@H]1CCCO1)c1cc[n+]([O-])cc1 ZINC001350304617 980557955 /nfs/dbraw/zinc/55/79/55/980557955.db2.gz IRQLQCHMNIRTGF-NSHDSACASA-N -1 0 300.336 -0.051 20 0 DBADRM CC(C)[C@@H](F)C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001350322058 980559756 /nfs/dbraw/zinc/55/97/56/980559756.db2.gz KTWFGUFAQYKDMP-SSDOTTSWSA-N -1 0 315.305 -0.487 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC001350423695 980571229 /nfs/dbraw/zinc/57/12/29/980571229.db2.gz PISHUCSHRTYLFR-ZWNOBZJWSA-N -1 0 323.393 -0.092 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N2CCSC[C@H]2C(=O)[O-])nn1 ZINC001595332658 980581044 /nfs/dbraw/zinc/58/10/44/980581044.db2.gz YPFBQSOIFKKOHF-SCZZXKLOSA-N -1 0 314.367 -0.309 20 0 DBADRM CC[C@@H](OC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C(=O)OC ZINC001595340435 980618443 /nfs/dbraw/zinc/61/84/43/980618443.db2.gz OPQCBZDOVDVJBQ-DTWKUNHWSA-N -1 0 301.295 -0.196 20 0 DBADRM CC[C@H](OC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C(=O)OC ZINC001595340436 980618525 /nfs/dbraw/zinc/61/85/25/980618525.db2.gz OPQCBZDOVDVJBQ-IUCAKERBSA-N -1 0 301.295 -0.196 20 0 DBADRM CCCC(=O)NCc1nc(CNCC(=O)N2CCC2)cc(=O)[nH]1 ZINC001489070684 1014671950 /nfs/dbraw/zinc/67/19/50/1014671950.db2.gz FRIBXLRCBUCKSV-UHFFFAOYSA-N -1 0 321.381 -0.080 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001351200596 980632730 /nfs/dbraw/zinc/63/27/30/980632730.db2.gz ZSOBYSJZJWEKQS-BDAKNGLRSA-N -1 0 311.342 -0.690 20 0 DBADRM Cn1nc(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cc1C1CC1 ZINC001351665411 980680506 /nfs/dbraw/zinc/68/05/06/980680506.db2.gz RQWIKNDUXADVLD-SNVBAGLBSA-N -1 0 322.365 -0.002 20 0 DBADRM CCN(CCCNC(=O)C(F)F)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001351997948 980705987 /nfs/dbraw/zinc/70/59/87/980705987.db2.gz OZIFVCMZBMISES-UHFFFAOYSA-N -1 0 321.284 -0.691 20 0 DBADRM O=Cc1c[nH]c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC001352271890 980717014 /nfs/dbraw/zinc/71/70/14/980717014.db2.gz KKDPMQGSIQUPDH-SECBINFHSA-N -1 0 300.292 -0.849 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1C(=O)NCCOCCOCC(=O)[O-] ZINC001353138685 980781746 /nfs/dbraw/zinc/78/17/46/980781746.db2.gz JTTUXHQAXZDXHW-MNOVXSKESA-N -1 0 304.343 -0.077 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCO[C@@H](CCF)C1 ZINC001353139186 980782185 /nfs/dbraw/zinc/78/21/85/980782185.db2.gz PXXMVBYCDPGJPW-NSHDSACASA-N -1 0 322.333 -0.126 20 0 DBADRM C[C@@H]1CN(C(=O)NCCOCCOCC(=O)[O-])[C@H](C)CO1 ZINC001353138683 980782293 /nfs/dbraw/zinc/78/22/93/980782293.db2.gz JTTUXHQAXZDXHW-GHMZBOCLSA-N -1 0 304.343 -0.077 20 0 DBADRM CC(C)=CC(=O)N[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001353155820 980784557 /nfs/dbraw/zinc/78/45/57/980784557.db2.gz RUCBVPRHYFHRAL-SECBINFHSA-N -1 0 321.337 -0.126 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@H]1[C@@H]1CCCOC1 ZINC001353438619 980804280 /nfs/dbraw/zinc/80/42/80/980804280.db2.gz UYGYPHKKXSEKJP-NEPJUHHUSA-N -1 0 307.350 -0.046 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001354027277 980829196 /nfs/dbraw/zinc/82/91/96/980829196.db2.gz IRNDEUJXOLOTQT-LLVKDONJSA-N -1 0 313.354 -0.306 20 0 DBADRM CNC(=O)C1(C(=O)N[C@@H](C)CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001354345381 980845715 /nfs/dbraw/zinc/84/57/15/980845715.db2.gz WWHPTHFYBKDNRY-ZETCQYMHSA-N -1 0 323.353 -0.816 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001354879317 980876560 /nfs/dbraw/zinc/87/65/60/980876560.db2.gz FNRNJAMHOMATJR-JGVFFNPUSA-N -1 0 314.260 -0.093 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2ccccc2[C@H]1C ZINC001354967282 980881131 /nfs/dbraw/zinc/88/11/31/980881131.db2.gz KITWYBOWLTZSHY-SNVBAGLBSA-N -1 0 305.334 -0.074 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2cccc(F)c2C1 ZINC001354968051 980881142 /nfs/dbraw/zinc/88/11/42/980881142.db2.gz MTSLFFPDGQRKIQ-UHFFFAOYSA-N -1 0 309.297 -0.496 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC001354967799 980881168 /nfs/dbraw/zinc/88/11/68/980881168.db2.gz LWVXWRXKOPPINP-OAHLLOKOSA-N -1 0 323.324 -0.123 20 0 DBADRM C/C=C(\C)C(=O)NCC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001355112043 980887087 /nfs/dbraw/zinc/88/70/87/980887087.db2.gz BUFBOWYYKPKEIS-VGANXODHSA-N -1 0 311.342 -0.334 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@@H]2CCN(C)C2=O)c1[O-] ZINC001355833151 980913100 /nfs/dbraw/zinc/91/31/00/980913100.db2.gz SQAPMTJJTIKBAF-VIFPVBQESA-N -1 0 323.353 -0.910 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCO[C@](C)(C(F)(F)F)C1 ZINC001355895204 980915413 /nfs/dbraw/zinc/91/54/13/980915413.db2.gz HIKRWPXUYIRUOA-VIFPVBQESA-N -1 0 324.263 -0.492 20 0 DBADRM CCCCCC(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001356779722 980983204 /nfs/dbraw/zinc/98/32/04/980983204.db2.gz XXJKACGCXQESIF-UHFFFAOYSA-N -1 0 309.326 -0.196 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCCO[C@H]1CCOC1 ZINC001357183866 981040006 /nfs/dbraw/zinc/04/00/06/981040006.db2.gz OMTQTQQBFDJLEI-NSHDSACASA-N -1 0 304.343 -0.075 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2csnn2)c1[O-] ZINC001357731566 981086806 /nfs/dbraw/zinc/08/68/06/981086806.db2.gz KTWIPUKZXNWAHN-IHWYPQMZSA-N -1 0 322.350 -0.009 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2cn(C)cn2)c1[O-] ZINC001357726780 981087378 /nfs/dbraw/zinc/08/73/78/981087378.db2.gz GRSBIFWGKILMBR-ARJAWSKDSA-N -1 0 318.337 -0.127 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001530483398 1014705095 /nfs/dbraw/zinc/70/50/95/1014705095.db2.gz ABKJNQZOZSBLMC-MRVPVSSYSA-N -1 0 323.353 -0.721 20 0 DBADRM CC/C(C)=C\C(=O)NC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001357794028 981093068 /nfs/dbraw/zinc/09/30/68/981093068.db2.gz RVWQAHPJTZYKTI-OOFLMXFCSA-N -1 0 323.353 -0.166 20 0 DBADRM CC/C(C)=C/C(=O)NC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001357794026 981093648 /nfs/dbraw/zinc/09/36/48/981093648.db2.gz RVWQAHPJTZYKTI-BTCMVDHLSA-N -1 0 323.353 -0.166 20 0 DBADRM CC/C(C)=C/C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001358604027 981149188 /nfs/dbraw/zinc/14/91/88/981149188.db2.gz OQXMNBJRURMRGR-ORZBULNSSA-N -1 0 321.337 -0.030 20 0 DBADRM CN(CCOCCN(C)C(=O)c1cc[nH]n1)Cc1n[nH]c(=O)[n-]1 ZINC001489212413 1014709828 /nfs/dbraw/zinc/70/98/28/1014709828.db2.gz FIILLEBWKJNGKC-UHFFFAOYSA-N -1 0 323.357 -0.546 20 0 DBADRM Cn1cccc(C(=O)Nc2[n-]nnc2C(=O)N2CCCC2)c1=O ZINC001361395224 981224029 /nfs/dbraw/zinc/22/40/29/981224029.db2.gz XDWWONMALAHAFS-UHFFFAOYSA-N -1 0 316.321 -0.008 20 0 DBADRM CN(C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1nnn[n-]1 ZINC001361554265 981257583 /nfs/dbraw/zinc/25/75/83/981257583.db2.gz AWYCWCVMPLOHEM-JTQLQIEISA-N -1 0 314.309 -0.717 20 0 DBADRM CN(C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1nnn[n-]1 ZINC001361554266 981258119 /nfs/dbraw/zinc/25/81/19/981258119.db2.gz AWYCWCVMPLOHEM-SNVBAGLBSA-N -1 0 314.309 -0.717 20 0 DBADRM CO[C@H]1COCC[C@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001361581783 981265725 /nfs/dbraw/zinc/26/57/25/981265725.db2.gz LXZCFTFSWNZUHQ-ONGXEEELSA-N -1 0 321.337 -0.761 20 0 DBADRM CO[C@H]1COCC[C@@H]1N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001361609432 981273029 /nfs/dbraw/zinc/27/30/29/981273029.db2.gz KZAMWCNXNVMCBC-QWRGUYRKSA-N -1 0 321.337 -0.667 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(c2cccc(O)c2)CC1 ZINC001361611642 981274081 /nfs/dbraw/zinc/27/40/81/981274081.db2.gz XHUXUTZPXLQFEC-UHFFFAOYSA-N -1 0 317.305 -0.049 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001361634511 981281954 /nfs/dbraw/zinc/28/19/54/981281954.db2.gz NSDYDEMBJPAGAI-UHFFFAOYSA-N -1 0 305.294 -0.384 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1cccs1 ZINC001361703356 981300980 /nfs/dbraw/zinc/30/09/80/981300980.db2.gz WRMZAPIJSOYGJN-LURJTMIESA-N -1 0 310.291 -0.012 20 0 DBADRM CCN1C(=O)C[C@H](C(=O)NCc2nnn[n-]2)[C@H]1c1cccnc1 ZINC001361759635 981314954 /nfs/dbraw/zinc/31/49/54/981314954.db2.gz GQLYDLIXKYLJMR-GXFFZTMASA-N -1 0 315.337 -0.179 20 0 DBADRM CN(CC(=O)NCc1ccco1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001361763645 981316108 /nfs/dbraw/zinc/31/61/08/981316108.db2.gz BMOAVQSKFVFFBP-UHFFFAOYSA-N -1 0 309.282 -0.943 20 0 DBADRM COc1coc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1=O ZINC001361786892 981324087 /nfs/dbraw/zinc/32/40/87/981324087.db2.gz ZKGNSBNBLKDWJG-VIFPVBQESA-N -1 0 307.266 -0.625 20 0 DBADRM Cc1ncc2c(n1)CC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001361790736 981324731 /nfs/dbraw/zinc/32/47/31/981324731.db2.gz DJHRCHLPGFNAEC-SECBINFHSA-N -1 0 304.310 -0.539 20 0 DBADRM CN(C(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1)c1nnn[n-]1 ZINC001361805952 981330679 /nfs/dbraw/zinc/33/06/79/981330679.db2.gz SRZVFFAHWWCIIT-MRVPVSSYSA-N -1 0 304.314 -0.661 20 0 DBADRM C[C@H](NC(=O)CCCc1nnn[n-]1)C(=O)NCC(F)(F)F ZINC001361836222 981337904 /nfs/dbraw/zinc/33/79/04/981337904.db2.gz WUGFJXBRDIBGMP-LURJTMIESA-N -1 0 308.264 -0.294 20 0 DBADRM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)CCc1nnn[n-]1 ZINC001361872707 981346367 /nfs/dbraw/zinc/34/63/67/981346367.db2.gz UJVONFVMHJPHEA-JTQLQIEISA-N -1 0 311.342 -0.297 20 0 DBADRM C[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)c1nnc2n1CCC2 ZINC001361891162 981351519 /nfs/dbraw/zinc/35/15/19/981351519.db2.gz UDVQMDUSFQQPKR-MRVPVSSYSA-N -1 0 321.341 -0.115 20 0 DBADRM CN(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1nnn[n-]1 ZINC001361907695 981355589 /nfs/dbraw/zinc/35/55/89/981355589.db2.gz SJJXTPQRXIDVCP-SECBINFHSA-N -1 0 301.310 -0.394 20 0 DBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)CCCc1nnn[n-]1 ZINC001361915626 981358333 /nfs/dbraw/zinc/35/83/33/981358333.db2.gz VUHLDLQGZRXVEV-SNVBAGLBSA-N -1 0 319.412 -0.532 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001361919638 981360799 /nfs/dbraw/zinc/36/07/99/981360799.db2.gz XOPDRHQDUPSOOZ-UHFFFAOYSA-N -1 0 303.278 -0.176 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCN(C(=O)c2ccccn2)CC1 ZINC001361922993 981362141 /nfs/dbraw/zinc/36/21/41/981362141.db2.gz CZYNSBYCCKRJMF-UHFFFAOYSA-N -1 0 315.337 -0.488 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)N1CCCC[C@@H]1C ZINC001361925349 981362805 /nfs/dbraw/zinc/36/28/05/981362805.db2.gz KMOHKTBZUXLJPT-DTWKUNHWSA-N -1 0 311.342 -0.405 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001361946371 981369274 /nfs/dbraw/zinc/36/92/74/981369274.db2.gz ALFQBMBZTHLTHG-SSDOTTSWSA-N -1 0 320.275 -0.198 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC001361946372 981369554 /nfs/dbraw/zinc/36/95/54/981369554.db2.gz ALFQBMBZTHLTHG-ZETCQYMHSA-N -1 0 320.275 -0.198 20 0 DBADRM Cc1noc(C2(NC(=O)Cn3[n-]cc4c(=O)ncnc3-4)CC2)n1 ZINC001361975215 981376483 /nfs/dbraw/zinc/37/64/83/981376483.db2.gz KOCVRUVRWHSPEU-UHFFFAOYSA-N -1 0 315.293 -0.432 20 0 DBADRM CN1CCN(C(=O)c2nc[n-]c(=O)c2Br)CC1=O ZINC001362003392 981384691 /nfs/dbraw/zinc/38/46/91/981384691.db2.gz HLGDIKXMAATFRR-UHFFFAOYSA-N -1 0 315.127 -0.141 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)c2c[n-]ncc2=O)s1 ZINC001362010079 981386565 /nfs/dbraw/zinc/38/65/65/981386565.db2.gz MUWUXPYIJGNOEE-UHFFFAOYSA-N -1 0 314.348 -0.179 20 0 DBADRM COC(=O)C1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001362017986 981387220 /nfs/dbraw/zinc/38/72/20/981387220.db2.gz GJFKQCKTGQDYMA-UHFFFAOYSA-N -1 0 312.326 -0.119 20 0 DBADRM COC(=O)C(C)(C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362030701 981391221 /nfs/dbraw/zinc/39/12/21/981391221.db2.gz STNPWORAQBAPDF-UHFFFAOYSA-N -1 0 304.310 -0.244 20 0 DBADRM CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)[C@H]1CCS(=O)(=O)C1 ZINC001362029092 981391273 /nfs/dbraw/zinc/39/12/73/981391273.db2.gz MKFREXXWWKPZQV-QMMMGPOBSA-N -1 0 318.355 -0.885 20 0 DBADRM O=C(CNC(=O)c1nc[n-]c(=O)c1Br)NC1CC1 ZINC001362032818 981391994 /nfs/dbraw/zinc/39/19/94/981391994.db2.gz YTZSZJBHEKUGTD-UHFFFAOYSA-N -1 0 315.127 -0.047 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCC(=O)N1CCCCC1 ZINC001362052048 981400266 /nfs/dbraw/zinc/40/02/66/981400266.db2.gz SNJJLSQLPOZCQJ-UHFFFAOYSA-N -1 0 311.342 -0.402 20 0 DBADRM O=C(c1cccnc1OCCO)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362058506 981402888 /nfs/dbraw/zinc/40/28/88/981402888.db2.gz BZKOHCNVIQZYBV-JTQLQIEISA-N -1 0 320.309 -0.821 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001362056629 981403569 /nfs/dbraw/zinc/40/35/69/981403569.db2.gz QDFDOACYGRKEEA-MRVPVSSYSA-N -1 0 302.294 -0.736 20 0 DBADRM COC(=O)CCC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001362066912 981407646 /nfs/dbraw/zinc/40/76/46/981407646.db2.gz SQNGCSPLDQQQIY-UHFFFAOYSA-N -1 0 312.326 -0.119 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)c1 ZINC001362079813 981412007 /nfs/dbraw/zinc/41/20/07/981412007.db2.gz STTVYZJMTAHPFZ-UHFFFAOYSA-N -1 0 303.278 -0.428 20 0 DBADRM CC(=O)N1CCC(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CC1 ZINC001362089435 981415663 /nfs/dbraw/zinc/41/56/63/981415663.db2.gz LFHJEIQAWRHRJE-NSHDSACASA-N -1 0 308.342 -0.642 20 0 DBADRM C[S@@](=O)C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1 ZINC001362093579 981416698 /nfs/dbraw/zinc/41/66/98/981416698.db2.gz AMCKDWLWZMKVAI-ZQJOYCHOSA-N -1 0 324.362 -0.075 20 0 DBADRM CN1C[C@@H](NC(=O)c2nc[n-]c(=O)c2Br)CC1=O ZINC001362099148 981419383 /nfs/dbraw/zinc/41/93/83/981419383.db2.gz DHFMELOYLRROHH-YFKPBYRVSA-N -1 0 315.127 -0.095 20 0 DBADRM COC(=O)[C@@H](C)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362098300 981419627 /nfs/dbraw/zinc/41/96/27/981419627.db2.gz GFICCKOHZKDXJY-QMMMGPOBSA-N -1 0 304.310 -0.386 20 0 DBADRM CC(=O)N[C@](C)(C(=O)N1CCO[C@H](c2nnn[n-]2)C1)C(C)C ZINC001362122416 981428883 /nfs/dbraw/zinc/42/88/83/981428883.db2.gz GNCWNFDWZHBBTM-GWCFXTLKSA-N -1 0 310.358 -0.350 20 0 DBADRM CN(C)c1ncc(CNC(=O)CSc2n[nH]c(=O)[n-]2)n1C ZINC001362132964 981434453 /nfs/dbraw/zinc/43/44/53/981434453.db2.gz FTPVHOJDFUZSAT-UHFFFAOYSA-N -1 0 311.371 -0.282 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cc(N3CCOCC3)ccn2)CCO1 ZINC000909222610 981435612 /nfs/dbraw/zinc/43/56/12/981435612.db2.gz XPHKRSMMDHMSCK-CYBMUJFWSA-N -1 0 321.333 -0.156 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)CCCc1nnn[n-]1 ZINC001362148235 981439033 /nfs/dbraw/zinc/43/90/33/981439033.db2.gz PGBPHSRYGLATOS-RKDXNWHRSA-N -1 0 303.388 -0.198 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(c2ccccc2O)CC1 ZINC001362154122 981440683 /nfs/dbraw/zinc/44/06/83/981440683.db2.gz RMYFWCYRDQIPGA-UHFFFAOYSA-N -1 0 317.305 -0.049 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)NCc1ccccc1 ZINC001362151898 981440795 /nfs/dbraw/zinc/44/07/95/981440795.db2.gz OOPFZVKLGRCRHM-SECBINFHSA-N -1 0 319.321 -0.490 20 0 DBADRM C[C@H](CC[S@](C)=O)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362171773 981448502 /nfs/dbraw/zinc/44/85/02/981448502.db2.gz IEKYXBIJIHYJCD-CLTRCRFRSA-N -1 0 322.394 -0.038 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CC1=O ZINC001362189589 981454706 /nfs/dbraw/zinc/45/47/06/981454706.db2.gz QFVATNRODUYBKY-KKZNHRDASA-N -1 0 315.333 -0.238 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCc2ncc[nH]2)c1 ZINC001362189759 981454755 /nfs/dbraw/zinc/45/47/55/981454755.db2.gz PNARVGGIGDUTLL-UHFFFAOYSA-N -1 0 310.335 -0.265 20 0 DBADRM Cn1[n-]c(C(=O)NC2CCN([C@@H]3CCOC3=O)CC2)cc1=O ZINC001362197427 981456323 /nfs/dbraw/zinc/45/63/23/981456323.db2.gz DVTJCQMXLQYHLA-LLVKDONJSA-N -1 0 308.338 -0.365 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362194158 981456411 /nfs/dbraw/zinc/45/64/11/981456411.db2.gz BZIOWFVCJWXYFP-DTWKUNHWSA-N -1 0 300.315 -0.922 20 0 DBADRM CC[C@@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C(=O)OC ZINC001362206603 981461184 /nfs/dbraw/zinc/46/11/84/981461184.db2.gz KZJFRVXSYIWIMI-SNVBAGLBSA-N -1 0 320.305 -0.052 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2nccc(N)n2)cn1 ZINC001362225926 981469333 /nfs/dbraw/zinc/46/93/33/981469333.db2.gz GQBZEJINKWQIOG-UHFFFAOYSA-N -1 0 322.350 -0.245 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)c1c[n-]ncc1=O)CC2 ZINC001362230745 981472904 /nfs/dbraw/zinc/47/29/04/981472904.db2.gz KRISLCVZEIIHBI-QMMMGPOBSA-N -1 0 304.310 -0.335 20 0 DBADRM CNS(=O)(=O)c1cccc(NC(=O)CCc2nnn[n-]2)c1C ZINC001362234334 981475313 /nfs/dbraw/zinc/47/53/13/981475313.db2.gz KSFAPDMRDYDSSA-UHFFFAOYSA-N -1 0 324.366 -0.012 20 0 DBADRM C[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)[C@@H]1CN(C)CCO1 ZINC001362240641 981476478 /nfs/dbraw/zinc/47/64/78/981476478.db2.gz YZJQNKHDNGNMOA-YUMQZZPRSA-N -1 0 301.372 -0.562 20 0 DBADRM O=C(NC[C@@]1(O)CCOC1)c1nc[n-]c(=O)c1Br ZINC001362264655 981487598 /nfs/dbraw/zinc/48/75/98/981487598.db2.gz XPCQUGAOTWYHGK-JTQLQIEISA-N -1 0 318.127 -0.174 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)NCc3nc(=O)o[n-]3)CCC2=O)cn1 ZINC001362265456 981490006 /nfs/dbraw/zinc/49/00/06/981490006.db2.gz CREHYBWUQUTCHN-MRVPVSSYSA-N -1 0 320.309 -0.844 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC001362277087 981495065 /nfs/dbraw/zinc/49/50/65/981495065.db2.gz NFLGVYBRJYCSFF-SECBINFHSA-N -1 0 309.326 -0.697 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCOC[C@H]1c1ncon1 ZINC001362281425 981495797 /nfs/dbraw/zinc/49/57/97/981495797.db2.gz AZPGTHXVVCDTRH-QMMMGPOBSA-N -1 0 324.297 -0.547 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)c2c[n-]ncc2=O)C1 ZINC001362289332 981498736 /nfs/dbraw/zinc/49/87/36/981498736.db2.gz BCAYLKUDHMPBHZ-MRVPVSSYSA-N -1 0 300.340 -0.807 20 0 DBADRM COC[C@@H](O)CCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362291001 981499026 /nfs/dbraw/zinc/49/90/26/981499026.db2.gz IGSIZLQIQXVHMX-NSHDSACASA-N -1 0 322.321 -0.607 20 0 DBADRM COc1ccc2c(c1)OC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001362318751 981512282 /nfs/dbraw/zinc/51/22/82/981512282.db2.gz WMMAHASKMGQMLF-SECBINFHSA-N -1 0 320.305 -0.182 20 0 DBADRM C[C@@H](CN(C)C(=O)C[C@H]1CCCS1(=O)=O)c1nnn[n-]1 ZINC001362327486 981514988 /nfs/dbraw/zinc/51/49/88/981514988.db2.gz RCDASTPJOWTELA-DTWKUNHWSA-N -1 0 301.372 -0.271 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)[N-]N2Cc3ccccc3C2=O)n1 ZINC001362336699 981519939 /nfs/dbraw/zinc/51/99/39/981519939.db2.gz PFFUUHIULVEOTG-UHFFFAOYSA-N -1 0 313.321 -0.179 20 0 DBADRM COC(=O)CN(C(=O)CCCc1nnn[n-]1)C1CCOCC1 ZINC001362350934 981525178 /nfs/dbraw/zinc/52/51/78/981525178.db2.gz IINIPWFWPBRXMJ-UHFFFAOYSA-N -1 0 311.342 -0.297 20 0 DBADRM Cn1cc([C@@H]2C[C@H]2C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC001362350469 981525201 /nfs/dbraw/zinc/52/52/01/981525201.db2.gz SIVBERSYHYEEIN-VHSXEESVSA-N -1 0 314.367 -0.894 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)CCCc1nnn[n-]1 ZINC001362358231 981529201 /nfs/dbraw/zinc/52/92/01/981529201.db2.gz UJXUIUFIHNDWPV-UWVGGRQHSA-N -1 0 311.342 -0.299 20 0 DBADRM O=C(c1cnc2n1CCOC2)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362365348 981532280 /nfs/dbraw/zinc/53/22/80/981532280.db2.gz GXEZSQQGRSQXKR-VIFPVBQESA-N -1 0 321.366 -0.143 20 0 DBADRM CC(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001362370493 981534230 /nfs/dbraw/zinc/53/42/30/981534230.db2.gz OCCJCOLUPMQPDF-UHFFFAOYSA-N -1 0 303.306 -0.016 20 0 DBADRM COc1c(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)cnn1C ZINC001362371058 981535381 /nfs/dbraw/zinc/53/53/81/981535381.db2.gz XJBIJVUVALHWAN-MRVPVSSYSA-N -1 0 309.355 -0.128 20 0 DBADRM CSc1nnc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)s1 ZINC001362372446 981536259 /nfs/dbraw/zinc/53/62/59/981536259.db2.gz WOPMBUJPBAEKOQ-UHFFFAOYSA-N -1 0 302.341 -0.421 20 0 DBADRM COc1ccc([C@@H](CO)N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001362380980 981541057 /nfs/dbraw/zinc/54/10/57/981541057.db2.gz MZPIIAYCPWNZCP-LLVKDONJSA-N -1 0 322.321 -0.110 20 0 DBADRM CO[C@@H](C(=O)N1CCC(O)(c2nnn[n-]2)CC1)[C@@H]1CCOC1 ZINC001362388932 981543067 /nfs/dbraw/zinc/54/30/67/981543067.db2.gz OURNRYAUAQAQHY-NXEZZACHSA-N -1 0 311.342 -0.939 20 0 DBADRM CCC[C@H](NC(=O)[C@H]1CCC2N=NC(=O)N2C1)c1nnn[n-]1 ZINC001362391791 981545941 /nfs/dbraw/zinc/54/59/41/981545941.db2.gz HSJSLJVGTXCEGH-YUMQZZPRSA-N -1 0 306.330 -0.283 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001362397456 981548574 /nfs/dbraw/zinc/54/85/74/981548574.db2.gz YJWJEPLFYYNWCQ-QMMMGPOBSA-N -1 0 301.372 -0.873 20 0 DBADRM CN1CC[C@H](NC(=O)c2nc[n-]c(=O)c2Br)C1=O ZINC001362409300 981554126 /nfs/dbraw/zinc/55/41/26/981554126.db2.gz VFSJDHYRZUKWGH-YFKPBYRVSA-N -1 0 315.127 -0.095 20 0 DBADRM O=C(C1=CCS(=O)(=O)C1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362411352 981556850 /nfs/dbraw/zinc/55/68/50/981556850.db2.gz UGFSULBFNUIIED-MRVPVSSYSA-N -1 0 315.380 -0.829 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC001362415161 981559580 /nfs/dbraw/zinc/55/95/80/981559580.db2.gz VVFIZCNBRSCSBM-JTQLQIEISA-N -1 0 324.337 -0.324 20 0 DBADRM CCC(CC)(NC(=O)CCC(=O)N1CCOCC1)c1nnn[n-]1 ZINC001362426503 981563380 /nfs/dbraw/zinc/56/33/80/981563380.db2.gz QOOYZQWKHYDLLT-UHFFFAOYSA-N -1 0 324.385 -0.030 20 0 DBADRM C[S@@](=O)c1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001362426069 981564011 /nfs/dbraw/zinc/56/40/11/981564011.db2.gz PMTUIHHETWHVSI-OAQYLSRUSA-N -1 0 310.335 -0.257 20 0 DBADRM C[S@](=O)c1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001362426063 981564023 /nfs/dbraw/zinc/56/40/23/981564023.db2.gz PMTUIHHETWHVSI-NRFANRHFSA-N -1 0 310.335 -0.257 20 0 DBADRM O=C(NCCn1ncnn1)c1ncc(Br)cc1[O-] ZINC001362427941 981564134 /nfs/dbraw/zinc/56/41/34/981564134.db2.gz LXUXVICUTSJLEF-UHFFFAOYSA-N -1 0 313.115 -0.034 20 0 DBADRM O=C(NCCC1(O)CCOCC1)c1c[n-]n2c1nccc2=O ZINC001362431857 981565465 /nfs/dbraw/zinc/56/54/65/981565465.db2.gz PPKUFLBVBAXWJE-UHFFFAOYSA-N -1 0 306.322 -0.316 20 0 DBADRM O=C(N1CCC(O)(c2nnn[n-]2)CC1)C1(O)CCSCC1 ZINC001362433977 981567270 /nfs/dbraw/zinc/56/72/70/981567270.db2.gz FQFZDTOZJYOOOD-UHFFFAOYSA-N -1 0 313.383 -0.732 20 0 DBADRM COC(=O)CN(CCC(F)(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362442069 981574393 /nfs/dbraw/zinc/57/43/93/981574393.db2.gz RIHXCRXNYBAUQT-UHFFFAOYSA-N -1 0 324.215 -0.150 20 0 DBADRM C[C@@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C(=O)N(C)C ZINC001362459894 981582137 /nfs/dbraw/zinc/58/21/37/981582137.db2.gz UNPQSQVKSPIXKZ-MRVPVSSYSA-N -1 0 319.321 -0.527 20 0 DBADRM CN(C(=O)CCc1nnn[n-]1)C1CCN(S(C)(=O)=O)CC1 ZINC001362473651 981588010 /nfs/dbraw/zinc/58/80/10/981588010.db2.gz SEAPZDYRYRZQAX-UHFFFAOYSA-N -1 0 316.387 -0.985 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CCCCC1 ZINC001362473461 981588724 /nfs/dbraw/zinc/58/87/24/981588724.db2.gz YZQFXSWZYIDWQN-JTQLQIEISA-N -1 0 312.326 -0.073 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@H](OCCO)C1 ZINC001362504396 981605387 /nfs/dbraw/zinc/60/53/87/981605387.db2.gz IFRZLMLYGZGLNK-JTQLQIEISA-N -1 0 314.342 -0.531 20 0 DBADRM C=C/C(C)=C/CC(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001530589154 1014747698 /nfs/dbraw/zinc/74/76/98/1014747698.db2.gz LQNQTXGCFYVCBS-RUDMXATFSA-N -1 0 321.337 -0.461 20 0 DBADRM CC[C@@H](F)C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001530582069 1014747826 /nfs/dbraw/zinc/74/78/26/1014747826.db2.gz JNDJTWMJJKYWCQ-SECBINFHSA-N -1 0 312.301 -0.825 20 0 DBADRM CN1C[C@@H](O)C[C@@]1(C)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001362509927 981609343 /nfs/dbraw/zinc/60/93/43/981609343.db2.gz WUCBXQJIMZYHPA-FZMZJTMJSA-N -1 0 318.337 -0.239 20 0 DBADRM C[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)C1(S(C)(=O)=O)CC1 ZINC001362529826 981630323 /nfs/dbraw/zinc/63/03/23/981630323.db2.gz XOOGYNZHLRRFBQ-MRVPVSSYSA-N -1 0 324.362 -0.282 20 0 DBADRM Cn1[n-]c(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)cc1=O ZINC001362539765 981648347 /nfs/dbraw/zinc/64/83/47/981648347.db2.gz ZVCCTGPAXNBHDU-NXEZZACHSA-N -1 0 315.351 -0.846 20 0 DBADRM COC(=O)[C@@H](C)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001362556892 981672853 /nfs/dbraw/zinc/67/28/53/981672853.db2.gz OFBMIHZNOVILLB-SECBINFHSA-N -1 0 319.321 -0.136 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)CCCc2nnn[n-]2)CCC1 ZINC001362559700 981676700 /nfs/dbraw/zinc/67/67/00/981676700.db2.gz RLOGNVAGYDRPLY-UHFFFAOYSA-N -1 0 315.399 -0.147 20 0 DBADRM Cn1ccc(=O)c(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c1 ZINC001362558875 981677344 /nfs/dbraw/zinc/67/73/44/981677344.db2.gz CTMDFAUNOMBBSB-UHFFFAOYSA-N -1 0 304.310 -0.978 20 0 DBADRM O=C(COC[C@@H]1CCCO1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362561258 981680821 /nfs/dbraw/zinc/68/08/21/981680821.db2.gz JRLOAOJUIROPDY-JTQLQIEISA-N -1 0 311.342 -0.795 20 0 DBADRM CC(=O)N[C@](C)(C(=O)N1CCC(O)(c2nnn[n-]2)CC1)C(C)C ZINC001362562244 981683338 /nfs/dbraw/zinc/68/33/38/981683338.db2.gz OAYBKJIQTDAVQW-ZDUSSCGKSA-N -1 0 324.385 -0.440 20 0 DBADRM COc1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)nn1C ZINC001362564128 981685560 /nfs/dbraw/zinc/68/55/60/981685560.db2.gz XZKSWYBBUFFMFH-UHFFFAOYSA-N -1 0 307.314 -0.934 20 0 DBADRM Cn1ncc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c1Cl ZINC001362562897 981685658 /nfs/dbraw/zinc/68/56/58/981685658.db2.gz RLHASOGLFIHJOD-UHFFFAOYSA-N -1 0 311.733 -0.290 20 0 DBADRM CC(=O)c1cncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC001362567522 981698146 /nfs/dbraw/zinc/69/81/46/981698146.db2.gz LPTWBQLFAWLBLK-UHFFFAOYSA-N -1 0 313.335 -0.520 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C1SCCCS1 ZINC001362570725 981704098 /nfs/dbraw/zinc/70/40/98/981704098.db2.gz UNBPGFRFCCEJEW-UHFFFAOYSA-N -1 0 312.438 -0.235 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001362582298 981723569 /nfs/dbraw/zinc/72/35/69/981723569.db2.gz CYQDPJTZSNRKKU-SCZZXKLOSA-N -1 0 317.305 -0.407 20 0 DBADRM Cn1nc(C(=O)NCCc2nc(=O)o[n-]2)cc1Br ZINC001362592204 981737049 /nfs/dbraw/zinc/73/70/49/981737049.db2.gz PLKLDWVGZUOXLM-UHFFFAOYSA-N -1 0 316.115 -0.169 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCN1CC(F)(F)F ZINC001362598019 981740088 /nfs/dbraw/zinc/74/00/88/981740088.db2.gz AFQWCAGCDRHTJA-LURJTMIESA-N -1 0 321.259 -0.009 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001362601935 981744736 /nfs/dbraw/zinc/74/47/36/981744736.db2.gz DSBYXGJJYHYICK-UHFFFAOYSA-N -1 0 320.305 -0.240 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001362605726 981745932 /nfs/dbraw/zinc/74/59/32/981745932.db2.gz NGFOPLVLFCLPEA-RITPCOANSA-N -1 0 322.243 -0.364 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1cc(OC(F)F)n(C)n1 ZINC001362606942 981751959 /nfs/dbraw/zinc/75/19/59/981751959.db2.gz ONXNPWRHOJVUNF-UHFFFAOYSA-N -1 0 303.225 -0.030 20 0 DBADRM COC(=O)[C@@H](CC(F)(F)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362628722 981772219 /nfs/dbraw/zinc/77/22/19/981772219.db2.gz ZNXKSYOERHBRBO-SCSAIBSYSA-N -1 0 312.204 -0.701 20 0 DBADRM Cn1nc([C@H]2CCCO2)cc1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362632926 981778134 /nfs/dbraw/zinc/77/81/34/981778134.db2.gz RKJDWSUIXSTUKE-MRVPVSSYSA-N -1 0 308.298 -0.087 20 0 DBADRM CN(C)C(=O)CC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001362638406 981784324 /nfs/dbraw/zinc/78/43/24/981784324.db2.gz RMCBNHZMHPZYEZ-UHFFFAOYSA-N -1 0 311.342 -0.594 20 0 DBADRM Cn1cccc1[C@H]1COCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362637565 981786229 /nfs/dbraw/zinc/78/62/29/981786229.db2.gz OOZRXEBJKDJZFW-SNVBAGLBSA-N -1 0 307.310 -0.372 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[C@@H](C)[S@](=O)CC1 ZINC001362641452 981789215 /nfs/dbraw/zinc/78/92/15/981789215.db2.gz CDEHDLQAOSJEMA-WODJRTHDSA-N -1 0 315.351 -0.121 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1c(F)ccc(O)c1F ZINC001362645550 981791871 /nfs/dbraw/zinc/79/18/71/981791871.db2.gz NQUWJGDKFHYVOR-UHFFFAOYSA-N -1 0 322.289 -0.134 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)CC[S@](=O)C1 ZINC001362656276 981801627 /nfs/dbraw/zinc/80/16/27/981801627.db2.gz FPLSLIOADVEXJE-BTKVJGODSA-N -1 0 308.363 -0.137 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCSC2(CCOCC2)C1 ZINC001362654568 981802444 /nfs/dbraw/zinc/80/24/44/981802444.db2.gz TXVONUUUKRNKQM-UHFFFAOYSA-N -1 0 314.367 -0.186 20 0 DBADRM CN(C(=O)c1c[n-]n2c1nccc2=O)[C@H]1CCC(=O)N(C)C1 ZINC001362660690 981805727 /nfs/dbraw/zinc/80/57/27/981805727.db2.gz ZSLWACHDXQCNMG-VIFPVBQESA-N -1 0 303.322 -0.285 20 0 DBADRM CCn1cc(CC(=O)N2CCSC[C@H]2c2nnn[n-]2)nn1 ZINC001362684775 981816355 /nfs/dbraw/zinc/81/63/55/981816355.db2.gz MIJPRVQQCFXEKJ-VIFPVBQESA-N -1 0 308.371 -0.330 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC001362686693 981817694 /nfs/dbraw/zinc/81/76/94/981817694.db2.gz IWVINTXQDWXHOX-SECBINFHSA-N -1 0 309.326 -0.840 20 0 DBADRM O=C(c1cnc2n1CCOC2)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362687398 981817993 /nfs/dbraw/zinc/81/79/93/981817993.db2.gz LPJALEKQARRTCV-VIFPVBQESA-N -1 0 303.326 -0.054 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1c[n-]ncc1=O ZINC001362697102 981827079 /nfs/dbraw/zinc/82/70/79/981827079.db2.gz QMCHMLBWZIIEIL-QMMMGPOBSA-N -1 0 312.326 -0.202 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001362712366 981839416 /nfs/dbraw/zinc/83/94/16/981839416.db2.gz HSBIJODCAJXKIQ-HGNGGELXSA-N -1 0 302.294 -0.098 20 0 DBADRM C[C@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CC(=O)N1C ZINC001362717121 981841725 /nfs/dbraw/zinc/84/17/25/981841725.db2.gz MDBCAFKDOQBOIV-VIFPVBQESA-N -1 0 315.337 -0.622 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001362718140 981843581 /nfs/dbraw/zinc/84/35/81/981843581.db2.gz VRPIVJYHYOYYCB-VWYCJHECSA-N -1 0 300.322 -0.083 20 0 DBADRM CN(C(=O)CNC(=O)N1CCc2ccccc2C1)c1nnn[n-]1 ZINC001362719935 981845751 /nfs/dbraw/zinc/84/57/51/981845751.db2.gz OIEGFDPMRXFNFV-UHFFFAOYSA-N -1 0 315.337 -0.070 20 0 DBADRM C[C@@H](C(=O)N1CCC(O)(c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001362722085 981847470 /nfs/dbraw/zinc/84/74/70/981847470.db2.gz FKSLPPSOQZEKPF-SECBINFHSA-N -1 0 305.342 -0.453 20 0 DBADRM CCn1cc(CC(=O)N2CCC(O)(c3nnn[n-]3)CC2)cn1 ZINC001362726616 981850206 /nfs/dbraw/zinc/85/02/06/981850206.db2.gz AXYZZJLEZNWEAQ-UHFFFAOYSA-N -1 0 305.342 -0.531 20 0 DBADRM O=C(c1csc(CO)n1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362728257 981851751 /nfs/dbraw/zinc/85/17/51/981851751.db2.gz WSHKNQAMYRBKFB-UHFFFAOYSA-N -1 0 310.339 -0.728 20 0 DBADRM O=C([C@@H]1CCCn2ncnc21)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362729442 981853327 /nfs/dbraw/zinc/85/33/27/981853327.db2.gz ZEKHNJJXLOTEGR-SECBINFHSA-N -1 0 318.341 -0.821 20 0 DBADRM Cc1[nH]c(=O)ccc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362730231 981853572 /nfs/dbraw/zinc/85/35/72/981853572.db2.gz JNIGJBMTVJKICV-UHFFFAOYSA-N -1 0 304.310 -0.267 20 0 DBADRM NC(=O)[C@H]1CCC[C@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC001362733142 981855071 /nfs/dbraw/zinc/85/50/71/981855071.db2.gz VMDSCVYRRSGYQC-UWVGGRQHSA-N -1 0 322.369 -0.699 20 0 DBADRM COC(=O)NC(C)(C)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362733650 981855247 /nfs/dbraw/zinc/85/52/47/981855247.db2.gz YQVOXPUPEMGYID-UHFFFAOYSA-N -1 0 312.330 -0.856 20 0 DBADRM Cn1nc(C2CCOCC2)cc1C(=O)NCCc1nc(=O)o[n-]1 ZINC001362750092 981864963 /nfs/dbraw/zinc/86/49/63/981864963.db2.gz VRSGAUYXGCYZCP-UHFFFAOYSA-N -1 0 321.337 -0.037 20 0 DBADRM COC[C@]1(C)CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CCO1 ZINC001362753368 981867078 /nfs/dbraw/zinc/86/70/78/981867078.db2.gz LXIKBVLBDDAUDG-ZDUSSCGKSA-N -1 0 314.342 -0.267 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N(CCO)C1CCSCC1 ZINC001362759731 981869918 /nfs/dbraw/zinc/86/99/18/981869918.db2.gz LWIKZOBYXFXRGL-UHFFFAOYSA-N -1 0 302.356 -0.594 20 0 DBADRM O=C([C@@H]1CCc2n[nH]cc2C1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001362761707 981871822 /nfs/dbraw/zinc/87/18/22/981871822.db2.gz OZLPPDQMWFZREF-LDYMZIIASA-N -1 0 303.326 -0.372 20 0 DBADRM C[C@]1(CO)CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@@]1(C)CO ZINC001362765476 981873149 /nfs/dbraw/zinc/87/31/49/981873149.db2.gz XFHVZPZAZXEIEN-GASCZTMLSA-N -1 0 320.349 -0.524 20 0 DBADRM CN(C)c1ccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)cn1 ZINC001362762811 981873845 /nfs/dbraw/zinc/87/38/45/981873845.db2.gz WEQRBMIJFPXXAM-JTQLQIEISA-N -1 0 303.326 -0.126 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1cc(F)cc(F)c1[O-] ZINC001362785333 981884037 /nfs/dbraw/zinc/88/40/37/981884037.db2.gz SJNMBZNBNMTPSN-UHFFFAOYSA-N -1 0 302.233 -0.311 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001362782460 981884336 /nfs/dbraw/zinc/88/43/36/981884336.db2.gz DVDNVUXCZOHMPQ-YUMQZZPRSA-N -1 0 312.288 -0.355 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CC(=O)c2ccccc2O1 ZINC001362797345 981893187 /nfs/dbraw/zinc/89/31/87/981893187.db2.gz UUKMDJPIQXBIRO-MRVPVSSYSA-N -1 0 318.289 -0.161 20 0 DBADRM Cn1c(C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)c[nH]c1=O ZINC001362812448 981907523 /nfs/dbraw/zinc/90/75/23/981907523.db2.gz YIFKXTRFFPMMJL-UHFFFAOYSA-N -1 0 305.294 -0.376 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1noc(C(F)(F)F)n1 ZINC001362819325 981915033 /nfs/dbraw/zinc/91/50/33/981915033.db2.gz LHZMTRREQYRBAI-GSVOUGTGSA-N -1 0 322.203 -0.032 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC001362820030 981915169 /nfs/dbraw/zinc/91/51/69/981915169.db2.gz POBMXYHWSVQXEW-JGVFFNPUSA-N -1 0 311.367 -0.128 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC001362821392 981916769 /nfs/dbraw/zinc/91/67/69/981916769.db2.gz YUGMQYIAMQTYSI-APPZFPTMSA-N -1 0 322.321 -0.363 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2CC[C@@H](c3nnn[n-]3)C2)cc1 ZINC001362824734 981917504 /nfs/dbraw/zinc/91/75/04/981917504.db2.gz YDGXWTBXFQWROZ-SNVBAGLBSA-N -1 0 316.321 -0.307 20 0 DBADRM Cc1nn(CC(=O)N(Cc2nnn[n-]2)CC(C)C)c(=O)n1C ZINC001362828220 981920093 /nfs/dbraw/zinc/92/00/93/981920093.db2.gz AFSRROIGTQERLR-UHFFFAOYSA-N -1 0 308.346 -0.912 20 0 DBADRM NC(=O)[C@H](O)CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001362834265 981925173 /nfs/dbraw/zinc/92/51/73/981925173.db2.gz ACLXDLSERDFRHA-SECBINFHSA-N -1 0 308.269 -0.707 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1Cc2cnccc2NC1=O ZINC001362839167 981930451 /nfs/dbraw/zinc/93/04/51/981930451.db2.gz ISDISBLSUSUDSD-QMMMGPOBSA-N -1 0 320.334 -0.323 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001362841361 981933086 /nfs/dbraw/zinc/93/30/86/981933086.db2.gz PNRKFKMVXOIWQH-UHFFFAOYSA-N -1 0 304.262 -0.034 20 0 DBADRM O=C([C@H]1CCc2nncn2C1)N1CCC(Cc2nn[nH]n2)CC1 ZINC001362849360 981941816 /nfs/dbraw/zinc/94/18/16/981941816.db2.gz RVXZSPCHLZIZKG-NSHDSACASA-N -1 0 316.369 -0.165 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCNC(=O)CC12CCC2 ZINC001362858437 981949639 /nfs/dbraw/zinc/94/96/39/981949639.db2.gz JDARCZFPDGOKJR-UHFFFAOYSA-N -1 0 311.367 -0.126 20 0 DBADRM CCCn1cc(CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)nn1 ZINC001362861556 981955319 /nfs/dbraw/zinc/95/53/19/981955319.db2.gz FQLSKQCGMFVVDY-UHFFFAOYSA-N -1 0 308.298 -0.172 20 0 DBADRM C[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC[S@@]1=O ZINC001362898105 981980270 /nfs/dbraw/zinc/98/02/70/981980270.db2.gz GROTWKVVAARANH-BTKVJGODSA-N -1 0 316.383 -0.161 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCN(c2cc(F)ncn2)CC1 ZINC001362899409 981980733 /nfs/dbraw/zinc/98/07/33/981980733.db2.gz BLWKLWFZQUBJHI-UHFFFAOYSA-N -1 0 306.305 -0.590 20 0 DBADRM CCCN1C[C@H](CNC(=O)CSc2n[nH]c(=O)[n-]2)CC1=O ZINC001362899423 981981818 /nfs/dbraw/zinc/98/18/18/981981818.db2.gz AQVMHIZPCGVYSG-QMMMGPOBSA-N -1 0 313.383 -0.023 20 0 DBADRM Cn1nc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)ccc1=O ZINC001362901346 981982403 /nfs/dbraw/zinc/98/24/03/981982403.db2.gz AYGNZBUSPOMCQH-VIFPVBQESA-N -1 0 303.326 -0.612 20 0 DBADRM COC[C@@H](NC(=O)CCNC(=O)c1ccsc1)c1nnn[n-]1 ZINC001362904482 981986237 /nfs/dbraw/zinc/98/62/37/981986237.db2.gz DDYAGTQFQUSMRD-SECBINFHSA-N -1 0 324.366 -0.115 20 0 DBADRM Cn1nc(C2CC2)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001362904047 981986463 /nfs/dbraw/zinc/98/64/63/981986463.db2.gz WCUHESYQYJEZLM-UHFFFAOYSA-N -1 0 314.367 -0.507 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001362904065 981986852 /nfs/dbraw/zinc/98/68/52/981986852.db2.gz WMQJQYKXJTZZAI-VIFPVBQESA-N -1 0 316.383 -0.819 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)N[C@H](COC)c2nnn[n-]2)C1 ZINC001362904285 981986898 /nfs/dbraw/zinc/98/68/98/981986898.db2.gz AGNQGWPZNGRDQY-VHSXEESVSA-N -1 0 310.358 -0.348 20 0 DBADRM C[C@@]1(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)CCC(=O)NC1 ZINC001362910139 981993647 /nfs/dbraw/zinc/99/36/47/981993647.db2.gz ZJQPKUGADYZLKU-IINYFYTJSA-N -1 0 306.370 -0.103 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)[C@@H]1CO ZINC001362920903 982004169 /nfs/dbraw/zinc/00/41/69/982004169.db2.gz HGGDHXYUBBQSLA-BXKDBHETSA-N -1 0 302.338 -0.082 20 0 DBADRM CN1CC[C@@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1=O ZINC001362941892 982016457 /nfs/dbraw/zinc/01/64/57/982016457.db2.gz NQIHEMHQRBWRHP-SNVBAGLBSA-N -1 0 315.337 -0.575 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc2c(c1)C(=O)NCCO2 ZINC001362949230 982023147 /nfs/dbraw/zinc/02/31/47/982023147.db2.gz UOORFFQTCHZUPF-UHFFFAOYSA-N -1 0 318.289 -0.243 20 0 DBADRM O=C(N[C@H]1C[C@@H](O)[C@@H](O)C1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001362957594 982027213 /nfs/dbraw/zinc/02/72/13/982027213.db2.gz XZBSKYLETWPVTE-JGPRNRPPSA-N -1 0 305.290 -0.356 20 0 DBADRM CC(=O)NCC[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001362979741 982043262 /nfs/dbraw/zinc/04/32/62/982043262.db2.gz NRIXDHXFBNIMTR-VIFPVBQESA-N -1 0 309.326 -0.339 20 0 DBADRM COC[C@]1(CO)CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001362981756 982043967 /nfs/dbraw/zinc/04/39/67/982043967.db2.gz QESSKFPULXCWQK-LLVKDONJSA-N -1 0 302.356 -0.540 20 0 DBADRM Cc1nc2cc[n-]n2c(=O)c1CC(=O)N[C@H]1CC12CC(O)C2 ZINC001362983566 982044970 /nfs/dbraw/zinc/04/49/70/982044970.db2.gz TWLBHPCUTLHTMT-UQACVICXSA-N -1 0 302.334 -0.097 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@](C)(C(F)F)O1 ZINC001362998880 982058325 /nfs/dbraw/zinc/05/83/25/982058325.db2.gz QGAMCZFSIDJGQQ-KSBSHMNSSA-N -1 0 306.269 -0.040 20 0 DBADRM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001363008361 982067402 /nfs/dbraw/zinc/06/74/02/982067402.db2.gz KBVCARUJDNLDFR-YIZRAAEISA-N -1 0 318.337 -0.805 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1[O-] ZINC001363009288 982067426 /nfs/dbraw/zinc/06/74/26/982067426.db2.gz MQTFSVLNAJLBPT-SVRRBLITSA-N -1 0 302.356 -0.580 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](n1cccn1)C(F)(F)F ZINC001363018053 982073265 /nfs/dbraw/zinc/07/32/65/982073265.db2.gz GWAIHNJKTOMBDZ-LURJTMIESA-N -1 0 320.231 -0.194 20 0 DBADRM Cn1[n-]c(C(=O)N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)cc1=O ZINC001363019557 982074977 /nfs/dbraw/zinc/07/49/77/982074977.db2.gz LVDKLMDTWLRFDA-MRVPVSSYSA-N -1 0 304.310 -0.050 20 0 DBADRM O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363028500 982083864 /nfs/dbraw/zinc/08/38/64/982083864.db2.gz MULGMJAPUOUTCS-VIFPVBQESA-N -1 0 320.353 -0.979 20 0 DBADRM O=C(c1cnc(C2CC2)nc1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363029383 982085735 /nfs/dbraw/zinc/08/57/35/982085735.db2.gz PYRZMVHWRBQDAZ-UHFFFAOYSA-N -1 0 315.337 -0.009 20 0 DBADRM COC(=O)[C@@]1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@@H](C)CC1 ZINC001363039326 982091244 /nfs/dbraw/zinc/09/12/44/982091244.db2.gz QYVGHHDQURNOFM-XCSCGOTBSA-N -1 0 312.326 -0.073 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001363038284 982092109 /nfs/dbraw/zinc/09/21/09/982092109.db2.gz NQZPVPJHGZFXDJ-UHFFFAOYSA-N -1 0 317.367 -0.035 20 0 DBADRM CN(C(=O)CNS(=O)(=O)c1cccc(F)c1)c1nnn[n-]1 ZINC001363045867 982095134 /nfs/dbraw/zinc/09/51/34/982095134.db2.gz CVADOCOFQSBLPY-UHFFFAOYSA-N -1 0 314.302 -0.720 20 0 DBADRM CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)c2cc(=O)n(C)[n-]2)C1 ZINC001363044366 982096595 /nfs/dbraw/zinc/09/65/95/982096595.db2.gz RGQYOTMQWWWSJW-WPRPVWTQSA-N -1 0 312.326 -0.695 20 0 DBADRM C[C@@H](CC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1)NC(N)=O ZINC001363061593 982109926 /nfs/dbraw/zinc/10/99/26/982109926.db2.gz UPMIFTOLVBQPOQ-GZMMTYOYSA-N -1 0 303.326 -0.148 20 0 DBADRM CS(=O)(=O)CC1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001363072852 982117760 /nfs/dbraw/zinc/11/77/60/982117760.db2.gz XWHDZPQPOQQGLI-UHFFFAOYSA-N -1 0 315.399 -0.194 20 0 DBADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363077850 982119553 /nfs/dbraw/zinc/11/95/53/982119553.db2.gz QFBQYLYMLLCBMD-VRNWYBPDSA-N -1 0 316.383 -0.163 20 0 DBADRM Nc1nnn(CC(=O)Nc2nccc(Br)c2[O-])n1 ZINC001363081407 982121625 /nfs/dbraw/zinc/12/16/25/982121625.db2.gz RTFPJKKOZPCGCQ-UHFFFAOYSA-N -1 0 314.103 -0.243 20 0 DBADRM NS(=O)(=O)NC1CN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC001363081947 982121778 /nfs/dbraw/zinc/12/17/78/982121778.db2.gz LBCRSTBWBHFFCR-UHFFFAOYSA-N -1 0 305.743 -0.337 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCCN1CC(F)F ZINC001363085420 982125953 /nfs/dbraw/zinc/12/59/53/982125953.db2.gz QVOWEUVDWXRTNL-SSDOTTSWSA-N -1 0 305.285 -0.465 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)cc1=O ZINC001363095650 982135942 /nfs/dbraw/zinc/13/59/42/982135942.db2.gz DPRQGPYCSLPNTP-UHFFFAOYSA-N -1 0 319.325 -0.707 20 0 DBADRM O=C(c1cn2c(n1)COCC2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363116752 982148614 /nfs/dbraw/zinc/14/86/14/982148614.db2.gz OSERLIJRXXYCOE-VIFPVBQESA-N -1 0 305.298 -0.860 20 0 DBADRM Cc1nccc(CCC(=O)N2CCOC[C@@H]2c2nnn[n-]2)n1 ZINC001363117185 982148840 /nfs/dbraw/zinc/14/88/40/982148840.db2.gz SAFHTJOFSZPOTM-LLVKDONJSA-N -1 0 303.326 -0.169 20 0 DBADRM COC(=O)c1c(NC(=O)c2cccnn2)n[n-]c1OCCO ZINC001363119611 982152671 /nfs/dbraw/zinc/15/26/71/982152671.db2.gz ONQOUAGZNALQLV-UHFFFAOYSA-N -1 0 307.266 -0.390 20 0 DBADRM Cn1nccc1[C@H](O)C1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001363131071 982156552 /nfs/dbraw/zinc/15/65/52/982156552.db2.gz PRDQCQPDWSOIPJ-CQSZACIVSA-N -1 0 319.369 -0.162 20 0 DBADRM Cn1nccc1[C@@H](O)C1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001363131070 982157489 /nfs/dbraw/zinc/15/74/89/982157489.db2.gz PRDQCQPDWSOIPJ-AWEZNQCLSA-N -1 0 319.369 -0.162 20 0 DBADRM O=C(c1ccc(O)cn1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001363128619 982157528 /nfs/dbraw/zinc/15/75/28/982157528.db2.gz HHQHZXGZVNZTRL-ZDUSSCGKSA-N -1 0 312.347 -0.183 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001363134280 982158622 /nfs/dbraw/zinc/15/86/22/982158622.db2.gz SGKCSIMDRHZAJW-KOLCDFICSA-N -1 0 303.322 -0.291 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC001363135264 982162292 /nfs/dbraw/zinc/16/22/92/982162292.db2.gz DQOTYWNVDHWWQK-CYBMUJFWSA-N -1 0 303.278 -0.783 20 0 DBADRM CN(C(=O)c1ccc(CNS(C)(=O)=O)o1)c1nnn[n-]1 ZINC001363153471 982183117 /nfs/dbraw/zinc/18/31/17/982183117.db2.gz VGPGUERAWBXACI-UHFFFAOYSA-N -1 0 300.300 -0.882 20 0 DBADRM C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1nc([O-])cc(=O)[nH]1)CS2 ZINC001363153388 982183475 /nfs/dbraw/zinc/18/34/75/982183475.db2.gz UWGYSFFXWQEUSS-WPPNPWJKSA-N -1 0 324.362 -0.042 20 0 DBADRM CC[C@@H]1CN(C(=O)CCc2nnn[n-]2)C[C@H](C)S1(=O)=O ZINC001363170723 982194648 /nfs/dbraw/zinc/19/46/48/982194648.db2.gz BAWLYJKGVDUGFM-DTWKUNHWSA-N -1 0 301.372 -0.444 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363202690 982219058 /nfs/dbraw/zinc/21/90/58/982219058.db2.gz DWMGQPIBQVOUHZ-IUCAKERBSA-N -1 0 320.309 -0.489 20 0 DBADRM COc1c[nH]c(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1=O ZINC001363203000 982219924 /nfs/dbraw/zinc/21/99/24/982219924.db2.gz GKWTZNJHRWZQGT-MRVPVSSYSA-N -1 0 306.282 -0.890 20 0 DBADRM O=C(CNC(=O)c1ccsc1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363204489 982223337 /nfs/dbraw/zinc/22/33/37/982223337.db2.gz OXNFAMZJQFADQY-VIFPVBQESA-N -1 0 322.350 -0.409 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC001363209886 982227646 /nfs/dbraw/zinc/22/76/46/982227646.db2.gz USJMIUUSAYCKMB-JOYOIKCWSA-N -1 0 308.342 -0.972 20 0 DBADRM C[C@@H](O)CN(CC(F)F)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363234378 982245103 /nfs/dbraw/zinc/24/51/03/982245103.db2.gz HBVCDWVKUZTBHE-SSDOTTSWSA-N -1 0 308.285 -0.056 20 0 DBADRM CCC[C@H](O)[C@H](CO)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363243020 982256324 /nfs/dbraw/zinc/25/63/24/982256324.db2.gz AQMSWZQJVVGLET-RYUDHWBXSA-N -1 0 320.353 -0.673 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCOC[C@@H]1CC(N)=O)C(=O)[O-] ZINC001594892384 982295534 /nfs/dbraw/zinc/29/55/34/982295534.db2.gz AWVVFAPJPLPWFG-OUJBWJOFSA-N -1 0 315.370 -0.822 20 0 DBADRM Cc1cc(C(=O)NC2(c3nnn[n-]3)CCC2)ncc1C(N)=O ZINC001363276625 982299822 /nfs/dbraw/zinc/29/98/22/982299822.db2.gz HIHGIOKTWYBYJR-UHFFFAOYSA-N -1 0 301.310 -0.189 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1C[C@@H](CO)[C@H](CO)C1)C(=O)[O-] ZINC001594893043 982299979 /nfs/dbraw/zinc/29/99/79/982299979.db2.gz GFNUQEYPJYASPL-MRBYEJRBSA-N -1 0 302.371 -0.866 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1C(=O)c2nccnc2C1=O)C(=O)[O-] ZINC001594893255 982302416 /nfs/dbraw/zinc/30/24/16/982302416.db2.gz SXOBYEUYJOYNAN-VXNVDRBHSA-N -1 0 320.305 -0.312 20 0 DBADRM CC1(C)CNC(=O)[C@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001363288660 982313656 /nfs/dbraw/zinc/31/36/56/982313656.db2.gz UEMJQKFHZJKAOE-MRVPVSSYSA-N -1 0 317.305 -0.310 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC001363295828 982321359 /nfs/dbraw/zinc/32/13/59/982321359.db2.gz KWBMGMZZFPTXLM-JTQLQIEISA-N -1 0 323.353 -0.261 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@@H](CCCO)C1 ZINC001363308350 982329808 /nfs/dbraw/zinc/32/98/08/982329808.db2.gz BNUNVZUPBZUFTQ-SNVBAGLBSA-N -1 0 305.338 -0.308 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2ccc(Cl)c([O-])c2)C[C@@H]1C(N)=O ZINC001363314860 982332992 /nfs/dbraw/zinc/33/29/92/982332992.db2.gz MGHLHDQSHQPWLD-YUMQZZPRSA-N -1 0 311.725 -0.296 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)N(C)c2nnn[n-]2)c1 ZINC001363323940 982342060 /nfs/dbraw/zinc/34/20/60/982342060.db2.gz MBKXZAAJFHMXCD-UHFFFAOYSA-N -1 0 302.341 -0.554 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001363350316 982356142 /nfs/dbraw/zinc/35/61/42/982356142.db2.gz LLXLZSIKUPVMDL-UHFFFAOYSA-N -1 0 318.355 -0.980 20 0 DBADRM COC[C@@H](C(N)=O)N(C)C(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001363352839 982358094 /nfs/dbraw/zinc/35/80/94/982358094.db2.gz CSSBWVAXQOXCPP-NSHDSACASA-N -1 0 312.370 -0.666 20 0 DBADRM CC[C@@H]1[C@@H](CO)CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001363374144 982370369 /nfs/dbraw/zinc/37/03/69/982370369.db2.gz JICWHZQFUAIYHP-MWLCHTKSSA-N -1 0 305.338 -0.309 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCO[C@@H](CC(N)=O)C2)cc1=O ZINC001363404307 982394031 /nfs/dbraw/zinc/39/40/31/982394031.db2.gz RFRBZCHYIDDTGX-LBPRGKRZSA-N -1 0 324.381 -0.522 20 0 DBADRM O=C(c1noc2c1COCC2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363408684 982396899 /nfs/dbraw/zinc/39/68/99/982396899.db2.gz OHJAALXDUNBSKS-QMMMGPOBSA-N -1 0 306.282 -0.526 20 0 DBADRM O=C([C@H]1CCc2nncn2CC1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363411078 982398133 /nfs/dbraw/zinc/39/81/33/982398133.db2.gz XQFGEXVQJWNCCF-UWVGGRQHSA-N -1 0 318.341 -0.656 20 0 DBADRM COC[C@@H](NC(=O)CCc1c(C)nn(C)c1C)c1nnn[n-]1 ZINC001363412288 982398770 /nfs/dbraw/zinc/39/87/70/982398770.db2.gz IPTZDZLTYAZRTM-LLVKDONJSA-N -1 0 307.358 -0.013 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CCCc2nn(C)cc21)c1nnn[n-]1 ZINC001363414121 982400202 /nfs/dbraw/zinc/40/02/02/982400202.db2.gz KQCAECQPFMYTLA-KWQFWETISA-N -1 0 305.342 -0.143 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CCc2cnc(C)n2C1)c1nnn[n-]1 ZINC001363414818 982400356 /nfs/dbraw/zinc/40/03/56/982400356.db2.gz MMOMBBMSTNHBNN-KOLCDFICSA-N -1 0 305.342 -0.229 20 0 DBADRM Cc1ncc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)c(N)n1 ZINC001363437279 982410255 /nfs/dbraw/zinc/41/02/55/982410255.db2.gz VDJGUCVONUZESM-SECBINFHSA-N -1 0 302.342 -0.025 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CC[C@@H](O)[C@@H](CO)C2)cc1=O ZINC001363447908 982420564 /nfs/dbraw/zinc/42/05/64/982420564.db2.gz IUKFUAYCAAHTLF-DGCLKSJQSA-N -1 0 311.382 -0.423 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CC[C@@H](O)[C@H](CO)C2)cc1=O ZINC001363447913 982421073 /nfs/dbraw/zinc/42/10/73/982421073.db2.gz IUKFUAYCAAHTLF-WCQYABFASA-N -1 0 311.382 -0.423 20 0 DBADRM CC[C@@H](CNC(=O)C=C1CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001531138272 1014838996 /nfs/dbraw/zinc/83/89/96/1014838996.db2.gz BLKQBFLHAXRGIT-JTQLQIEISA-N -1 0 323.353 -0.189 20 0 DBADRM Cn1nccc1[C@H]1COCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363466409 982435549 /nfs/dbraw/zinc/43/55/49/982435549.db2.gz NGOJPRDYAHPQRI-SECBINFHSA-N -1 0 308.298 -0.977 20 0 DBADRM Cc1noc(CN(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001363464431 982435787 /nfs/dbraw/zinc/43/57/87/982435787.db2.gz AQESNRACUVUSGV-UHFFFAOYSA-N -1 0 303.282 -0.579 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C1CC1 ZINC001363469801 982437844 /nfs/dbraw/zinc/43/78/44/982437844.db2.gz VEUTXJZUXJDMJI-JGVFFNPUSA-N -1 0 308.294 -0.446 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001363479475 982443873 /nfs/dbraw/zinc/44/38/73/982443873.db2.gz QOGIYCHOBWUNLQ-CAHLUQPWSA-N -1 0 302.312 -0.951 20 0 DBADRM Cc1cncc(CCNC(=O)CCCn2c(=O)[n-][nH]c2=O)n1 ZINC001363478766 982444131 /nfs/dbraw/zinc/44/41/31/982444131.db2.gz NFEOMVABHTXOPD-UHFFFAOYSA-N -1 0 306.326 -0.073 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCCN1C[C@H]2CCCCN2C1=O ZINC001363490282 982451999 /nfs/dbraw/zinc/45/19/99/982451999.db2.gz PCMHPJPHVHFNTN-LLVKDONJSA-N -1 0 321.385 -0.071 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@@H](CO)[C@H](O)C1CCCCC1 ZINC001363493235 982456115 /nfs/dbraw/zinc/45/61/15/982456115.db2.gz BZUDFOQAONXOPG-SMDDNHRTSA-N -1 0 311.386 -0.059 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@@H](O)c1ccncc1 ZINC001363494045 982456228 /nfs/dbraw/zinc/45/62/28/982456228.db2.gz FDYULYMPPKBWCB-LLVKDONJSA-N -1 0 314.305 -0.684 20 0 DBADRM CC(=O)N1CC[C@@H]1CN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001489756496 1014842446 /nfs/dbraw/zinc/84/24/46/1014842446.db2.gz QWUSZBJRZWUYNU-SNVBAGLBSA-N -1 0 311.342 -0.451 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)CSc3n[nH]c(=O)[n-]3)CCN2)cn1 ZINC001363496693 982459751 /nfs/dbraw/zinc/45/97/51/982459751.db2.gz DNSCBUJBDGEIBX-VIFPVBQESA-N -1 0 323.382 -0.491 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CS(N)(=O)=O)c1[O-] ZINC001363498076 982460528 /nfs/dbraw/zinc/46/05/28/982460528.db2.gz BMOVVUBZUUBIQH-MRVPVSSYSA-N -1 0 302.356 -0.293 20 0 DBADRM CC(C)(C)N1C[C@@H](C(=O)N2CCOC[C@@H]2c2nnn[n-]2)CC1=O ZINC001363509820 982471656 /nfs/dbraw/zinc/47/16/56/982471656.db2.gz CINSKYHUGUIJGK-VHSXEESVSA-N -1 0 322.369 -0.253 20 0 DBADRM Cc1cnc(COCC(=O)N2CCOC[C@@H]2c2nnn[n-]2)o1 ZINC001363509770 982472509 /nfs/dbraw/zinc/47/25/09/982472509.db2.gz BQBIYAUKNLVQLP-SECBINFHSA-N -1 0 308.298 -0.387 20 0 DBADRM Cn1cc(C(=O)CCC(=O)N2CCOC[C@@H]2c2nnn[n-]2)cn1 ZINC001363512518 982476003 /nfs/dbraw/zinc/47/60/03/982476003.db2.gz NYEPCUJIJMYGML-SNVBAGLBSA-N -1 0 319.325 -0.504 20 0 DBADRM CC(C)n1ncc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)c1N ZINC001363515354 982480263 /nfs/dbraw/zinc/48/02/63/982480263.db2.gz ZVXPINCGJUHVAM-VIFPVBQESA-N -1 0 306.330 -0.227 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363522149 982482988 /nfs/dbraw/zinc/48/29/88/982482988.db2.gz DWYKODXIFXWYMX-SECBINFHSA-N -1 0 304.310 -0.608 20 0 DBADRM COC(=O)[C@@H](Cc1ccccc1O)NC(=O)CCc1nnn[n-]1 ZINC001363544909 982500708 /nfs/dbraw/zinc/50/07/08/982500708.db2.gz WPHNTDZOYURFRE-SNVBAGLBSA-N -1 0 319.321 -0.262 20 0 DBADRM COC[C@H](NC(=O)CN1CSCCSC1)c1nnn[n-]1 ZINC001363584237 982520933 /nfs/dbraw/zinc/52/09/33/982520933.db2.gz DGURREJUNHHMAN-QMMMGPOBSA-N -1 0 318.428 -0.300 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)c1cccc(F)c1)c1nnn[n-]1 ZINC001363584570 982521417 /nfs/dbraw/zinc/52/14/17/982521417.db2.gz GDPJWEGKOWBJQX-JTQLQIEISA-N -1 0 322.300 -0.428 20 0 DBADRM COC[C@@H](NC(=O)C1CCC(NC(C)=O)CC1)c1nnn[n-]1 ZINC001363585212 982523895 /nfs/dbraw/zinc/52/38/95/982523895.db2.gz HTLHRFCATPMQND-VQXHTEKXSA-N -1 0 310.358 -0.302 20 0 DBADRM COC[C@@H](NC(=O)CCCn1ccccc1=O)c1nnn[n-]1 ZINC001363588953 982526332 /nfs/dbraw/zinc/52/63/32/982526332.db2.gz PTEPBDGAIWRYEC-SNVBAGLBSA-N -1 0 306.326 -0.355 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CCc2ncncc2C1)c1nnn[n-]1 ZINC001363591430 982527601 /nfs/dbraw/zinc/52/76/01/982527601.db2.gz TWCIMETZUNCTPE-KWQFWETISA-N -1 0 303.326 -0.402 20 0 DBADRM O=C(N[C@H]1C[C@H](CO)C1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001363620543 982540820 /nfs/dbraw/zinc/54/08/20/982540820.db2.gz XWKQGCPFOWHPPT-CZMCAQCFSA-N -1 0 304.306 -0.233 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC(NC2COC2)C1 ZINC001363645075 982550877 /nfs/dbraw/zinc/55/08/77/982550877.db2.gz HANBWWZMHYHZKA-UHFFFAOYSA-N -1 0 309.288 -0.357 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC001363651326 982553608 /nfs/dbraw/zinc/55/36/08/982553608.db2.gz RLVVHGHXYCQELN-SNVBAGLBSA-N -1 0 313.383 -0.442 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CCC(c3nnn[n-]3)CC2)cn1 ZINC001363658066 982557923 /nfs/dbraw/zinc/55/79/23/982557923.db2.gz COUOCJCTCYWTQU-UHFFFAOYSA-N -1 0 317.309 -0.204 20 0 DBADRM O=C(CCCc1nnn[n-]1)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001363677681 982568107 /nfs/dbraw/zinc/56/81/07/982568107.db2.gz MQZOFJWFNQEQQO-PBINXNQUSA-N -1 0 313.383 -0.253 20 0 DBADRM CC[C@H](CNC(=O)[C@H](F)CC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001531400524 1014858760 /nfs/dbraw/zinc/85/87/60/1014858760.db2.gz JJGDLLKHWHMZLA-HTQZYQBOSA-N -1 0 317.321 -0.552 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H](CO)c1cc(F)ccc1F ZINC001363690899 982574308 /nfs/dbraw/zinc/57/43/08/982574308.db2.gz ZHWATNYPRUPERP-SECBINFHSA-N -1 0 314.248 -0.183 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001363699570 982575638 /nfs/dbraw/zinc/57/56/38/982575638.db2.gz BBQVTPRTDUCHSH-JGVFFNPUSA-N -1 0 302.356 -0.948 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)c1cn(CC2(C)COC2)nn1 ZINC001363717261 982586009 /nfs/dbraw/zinc/58/60/09/982586009.db2.gz CEEXBJZDJMGWSY-UHFFFAOYSA-N -1 0 308.298 -0.325 20 0 DBADRM Cc1occc1C(=O)NCC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363726155 982591880 /nfs/dbraw/zinc/59/18/80/982591880.db2.gz UHYXMAJNARGJSF-SECBINFHSA-N -1 0 304.310 -0.153 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)cc1=O ZINC001363752033 982606885 /nfs/dbraw/zinc/60/68/85/982606885.db2.gz RLGAQVNBYMEHPF-RTXFEEFZSA-N -1 0 311.382 -0.235 20 0 DBADRM Cc1nc(N2CCN(C(=O)CCCc3nnn[n-]3)CC2)n[nH]1 ZINC001363761123 982614189 /nfs/dbraw/zinc/61/41/89/982614189.db2.gz KZTYDAKTCIPEFJ-UHFFFAOYSA-N -1 0 305.346 -0.702 20 0 DBADRM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001363764110 982615031 /nfs/dbraw/zinc/61/50/31/982615031.db2.gz ZQVYRYHIFFYHLX-SSDOTTSWSA-N -1 0 304.324 -0.131 20 0 DBADRM Cc1nc(N2CCN(C(=O)CSc3n[nH]c(=O)[n-]3)CC2)n[nH]1 ZINC001363765070 982618341 /nfs/dbraw/zinc/61/83/41/982618341.db2.gz WAWNKQLGEBNQIJ-UHFFFAOYSA-N -1 0 324.370 -0.622 20 0 DBADRM CO[C@H]1COCC[C@H]1N(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001363775676 982625875 /nfs/dbraw/zinc/62/58/75/982625875.db2.gz RGSSYOZLVRBEMQ-SFYZADRCSA-N -1 0 302.356 -0.135 20 0 DBADRM CCOC(=O)[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001363795552 982640238 /nfs/dbraw/zinc/64/02/38/982640238.db2.gz LFCJMSUBJKPCEV-SECBINFHSA-N -1 0 312.326 -0.119 20 0 DBADRM CC(=O)NC[C@@H]1CCCCN1Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001363812944 982652446 /nfs/dbraw/zinc/65/24/46/982652446.db2.gz UURQVWUKBHEKGN-NSHDSACASA-N -1 0 319.369 -0.510 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCc1cnn(CCF)c1 ZINC001363818870 982655912 /nfs/dbraw/zinc/65/59/12/982655912.db2.gz YLOJRQBKECGTGB-UHFFFAOYSA-N -1 0 312.305 -0.048 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)n[nH]1 ZINC001363831032 982663897 /nfs/dbraw/zinc/66/38/97/982663897.db2.gz KFOPVSWOTUZZPA-OCAPTIKFSA-N -1 0 303.340 -0.006 20 0 DBADRM C[C@@H](NC(=O)C1CN(S(C)(=O)=O)C1)c1nn(C)cc1[O-] ZINC001363847815 982672851 /nfs/dbraw/zinc/67/28/51/982672851.db2.gz HPWNVPOZBQHCSF-SSDOTTSWSA-N -1 0 302.356 -0.806 20 0 DBADRM CC(C)(C)OC(=O)[C@]1(NC(=O)CCc2nnn[n-]2)CCOC1 ZINC001363860209 982678868 /nfs/dbraw/zinc/67/88/68/982678868.db2.gz YCZHVNYPYVGZDG-ZDUSSCGKSA-N -1 0 311.342 -0.251 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)[N-]N1CCCNC1=O ZINC001363879570 982686717 /nfs/dbraw/zinc/68/67/17/982686717.db2.gz HIXWQBDCSQQTJG-UHFFFAOYSA-N -1 0 302.312 -0.704 20 0 DBADRM CNC(=O)C[C@@H](C)NS(=O)(=O)c1csnc1C(=O)OC ZINC001363916728 982716142 /nfs/dbraw/zinc/71/61/42/982716142.db2.gz DQEBJBQJSWZODO-ZCFIWIBFSA-N -1 0 321.380 -0.267 20 0 DBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]CC(=O)NC ZINC001363926314 982728748 /nfs/dbraw/zinc/72/87/48/982728748.db2.gz JMQWIBUNFOJNLZ-ZCFIWIBFSA-N -1 0 320.289 -0.464 20 0 DBADRM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001363931957 982730198 /nfs/dbraw/zinc/73/01/98/982730198.db2.gz GOICKBLRJIIEKZ-GVXVVHGQSA-N -1 0 321.395 -0.213 20 0 DBADRM CC(C)C(=O)NC[C@@](C)(NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001531746361 1014876111 /nfs/dbraw/zinc/87/61/11/1014876111.db2.gz UOONJHUJVARCKY-CQSZACIVSA-N -1 0 323.353 -0.047 20 0 DBADRM COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)C[C@@H]1CCC2(CCC2)O1 ZINC001363941513 982737644 /nfs/dbraw/zinc/73/76/44/982737644.db2.gz PQGHQJZXYOEQAK-CMPLNLGQSA-N -1 0 321.395 -0.069 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]CC(=O)NC1CCCCC1 ZINC001363950370 982744534 /nfs/dbraw/zinc/74/45/34/982744534.db2.gz ZRQPMQJFVDRFKP-UHFFFAOYSA-N -1 0 311.429 -0.003 20 0 DBADRM CNC(=O)[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC001363974753 982759929 /nfs/dbraw/zinc/75/99/29/982759929.db2.gz YSIREWKVKTVGBT-SSDOTTSWSA-N -1 0 308.743 -0.569 20 0 DBADRM COC[C@@H](NS(=O)(=O)C[C@@H](OC)c1ccccc1)C(N)=O ZINC001363983335 982766385 /nfs/dbraw/zinc/76/63/85/982766385.db2.gz YWMOUWXZHKENAH-VXGBXAGGSA-N -1 0 316.379 -0.206 20 0 DBADRM COC[C@](C)([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)OC ZINC001363982235 982766613 /nfs/dbraw/zinc/76/66/13/982766613.db2.gz ZNYBEQNJCFBBHK-QMMMGPOBSA-N -1 0 302.374 -0.874 20 0 DBADRM CCn1ccnc1CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001364004668 982778413 /nfs/dbraw/zinc/77/84/13/982778413.db2.gz CQCWMPFNLUZNMA-UHFFFAOYSA-N -1 0 313.339 -0.819 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)NC[C@]1(C)CCC(=O)N1 ZINC001364002052 982778539 /nfs/dbraw/zinc/77/85/39/982778539.db2.gz HOIXLDIDTJXPEV-YYSFKGJASA-N -1 0 312.417 -0.936 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)NC[C@@]1(C)CCC(=O)N1 ZINC001364001950 982779698 /nfs/dbraw/zinc/77/96/98/982779698.db2.gz HOIXLDIDTJXPEV-LZVRBXCZSA-N -1 0 312.417 -0.936 20 0 DBADRM O=c1nc(CNS(=O)(=O)Cc2noc3c2CCCC3)[n-]o1 ZINC001364010426 982783445 /nfs/dbraw/zinc/78/34/45/982783445.db2.gz RAIRICADUSJVLI-UHFFFAOYSA-N -1 0 314.323 -0.151 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CCn1cnnn1 ZINC001364016557 982785620 /nfs/dbraw/zinc/78/56/20/982785620.db2.gz WHFZJLLAYKCAAP-GOSISDBHSA-N -1 0 310.405 -0.596 20 0 DBADRM COC(=O)[C@]1(C)C[C@@H](OC)CN1S(=O)(=O)c1ncc[n-]1 ZINC001364022351 982791847 /nfs/dbraw/zinc/79/18/47/982791847.db2.gz HDJOAVVWSVDXQN-KCJUWKMLSA-N -1 0 303.340 -0.249 20 0 DBADRM C[S@@](=O)(=NS(=O)(=O)[N-][C@@H]1COC[C@@H]1O)c1ccccc1 ZINC001364024429 982794835 /nfs/dbraw/zinc/79/48/35/982794835.db2.gz PPDPVPNPBSYBDB-FDMGOTLNSA-N -1 0 320.392 -0.263 20 0 DBADRM COC(=O)[C@@]1(O)CCN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC001364036518 982801705 /nfs/dbraw/zinc/80/17/05/982801705.db2.gz FFGOJAIUVPDESN-GFCCVEGCSA-N -1 0 319.310 -0.170 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-]c1nnn(C)n1)C1CCOCC1 ZINC001364040003 982803098 /nfs/dbraw/zinc/80/30/98/982803098.db2.gz JOSIBACWBWFTKZ-SECBINFHSA-N -1 0 305.360 -0.607 20 0 DBADRM COC[C@H](NC(=O)Cn1nnc2c1CCCC2)c1nnn[n-]1 ZINC001364039809 982803869 /nfs/dbraw/zinc/80/38/69/982803869.db2.gz XPAVMIZYEOYHOL-VIFPVBQESA-N -1 0 306.330 -0.826 20 0 DBADRM CCO[C@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)[C@@H]1CCOC1 ZINC001364048496 982806625 /nfs/dbraw/zinc/80/66/25/982806625.db2.gz MVQKPIYFXJYNDX-SFYZADRCSA-N -1 0 318.355 -0.412 20 0 DBADRM Cc1ccn(C[C@H](C)C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)n1 ZINC001364049649 982808339 /nfs/dbraw/zinc/80/83/39/982808339.db2.gz NPSPOAQFGOBMDT-ZETCQYMHSA-N -1 0 312.355 -0.012 20 0 DBADRM CN1Cc2ccccc2[C@@H](NC(=O)CCc2nnn[n-]2)C1=O ZINC001364052498 982809298 /nfs/dbraw/zinc/80/92/98/982809298.db2.gz BGSLOJSLEHHXJX-CYBMUJFWSA-N -1 0 300.322 -0.038 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[O-] ZINC001364055317 982811083 /nfs/dbraw/zinc/81/10/83/982811083.db2.gz RBYYVITVFJZNES-RKDXNWHRSA-N -1 0 301.320 -0.311 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C2CC(CCO)C2)on1 ZINC001364069609 982816952 /nfs/dbraw/zinc/81/69/52/982816952.db2.gz ICIKQLAZMUCSJA-UHFFFAOYSA-N -1 0 304.324 -0.100 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)n1 ZINC001364072887 982818184 /nfs/dbraw/zinc/81/81/84/982818184.db2.gz QOUOAOBYLMAPGH-UHFFFAOYSA-N -1 0 311.249 -0.230 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001364088361 982824252 /nfs/dbraw/zinc/82/42/52/982824252.db2.gz FMSHEYATFPEKMV-JTQLQIEISA-N -1 0 304.328 -0.795 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCc2nc(CO)n[nH]2)c1 ZINC001364099701 982826415 /nfs/dbraw/zinc/82/64/15/982826415.db2.gz GUYGBAYZCNTNPG-JOCHJYFZSA-N -1 0 324.362 -0.270 20 0 DBADRM C[C@H](O)C1(NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1 ZINC001364117148 982832743 /nfs/dbraw/zinc/83/27/43/982832743.db2.gz YWXHFZZEFZZTBP-QMMMGPOBSA-N -1 0 304.306 -0.091 20 0 DBADRM CCOC(=O)[C@@H](F)C1CN(C(=O)N=c2nn[n-]n2CC)C1 ZINC001364121876 982834190 /nfs/dbraw/zinc/83/41/90/982834190.db2.gz DJLNQHAFBCOEHV-QMMMGPOBSA-N -1 0 300.294 -0.520 20 0 DBADRM CCc1nn(C)c(OC)c1CNC(=O)N=c1nn[n-]n1CC ZINC001364133169 982836924 /nfs/dbraw/zinc/83/69/24/982836924.db2.gz PABFNJZAIQZWLR-UHFFFAOYSA-N -1 0 308.346 -0.259 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC([C@@H]2COC(=O)N2)CC1 ZINC001364133884 982837002 /nfs/dbraw/zinc/83/70/02/982837002.db2.gz SUCOLUFQJIHDND-VIFPVBQESA-N -1 0 309.330 -0.533 20 0 DBADRM COc1ccc2c(n1)N(C)CCN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001364150704 982840658 /nfs/dbraw/zinc/84/06/58/982840658.db2.gz FQUHEBTUVAPCGU-UHFFFAOYSA-N -1 0 318.293 -0.217 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(c2ncccn2)CC1 ZINC001364173418 982845407 /nfs/dbraw/zinc/84/54/07/982845407.db2.gz MQTAAWNIJIDTNM-UHFFFAOYSA-N -1 0 304.310 -0.115 20 0 DBADRM CN(C(=O)Cc1cccc(NS(C)(=O)=O)c1)c1nnn[n-]1 ZINC001364194749 982852530 /nfs/dbraw/zinc/85/25/30/982852530.db2.gz KXZLJEIHIGMRAN-UHFFFAOYSA-N -1 0 310.339 -0.223 20 0 DBADRM O=C(CNC(=O)c1ccncc1)NCc1nc([O-])cc(=O)[nH]1 ZINC001364199038 982852856 /nfs/dbraw/zinc/85/28/56/982852856.db2.gz BJYFSNJFGPARJI-UHFFFAOYSA-N -1 0 303.278 -0.671 20 0 DBADRM CCCCS(=O)(=O)CC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001364202229 982854201 /nfs/dbraw/zinc/85/42/01/982854201.db2.gz HAHVSLUGSMLQJX-UHFFFAOYSA-N -1 0 303.340 -0.281 20 0 DBADRM Cc1ccc(CNC(=O)NCC(=O)N(C)c2nnn[n-]2)cc1 ZINC001364205336 982854585 /nfs/dbraw/zinc/85/45/85/982854585.db2.gz YWQGTSZOPROFPR-UHFFFAOYSA-N -1 0 303.326 -0.030 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)CCc2cccc(F)c2)C1 ZINC000926563892 982908831 /nfs/dbraw/zinc/90/88/31/982908831.db2.gz MDVUZDQOTWENDL-UHFFFAOYSA-N -1 0 303.311 -0.171 20 0 DBADRM CN(CCCNC(=O)c1ccn(C)c(=O)c1)Cc1n[nH]c(=O)[n-]1 ZINC001490215786 1014894199 /nfs/dbraw/zinc/89/41/99/1014894199.db2.gz XDZZYOBRSIQMNF-UHFFFAOYSA-N -1 0 320.353 -0.539 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@](C)(CO)c1cccc(O)c1 ZINC001364366741 982943393 /nfs/dbraw/zinc/94/33/93/982943393.db2.gz BXPAIKBWWGLDCI-CYBMUJFWSA-N -1 0 306.326 -0.150 20 0 DBADRM CO[C@H](C(=O)N1CCOC[C@@H]1c1nnn[n-]1)c1cnn(C)c1 ZINC001364383120 982953528 /nfs/dbraw/zinc/95/35/28/982953528.db2.gz MUFQSCIXYAJMSX-ZJUUUORDSA-N -1 0 307.314 -0.779 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1nn(C)cc1[O-] ZINC001364395580 982959009 /nfs/dbraw/zinc/95/90/09/982959009.db2.gz MLMKHTBBIAWJKI-IUCAKERBSA-N -1 0 316.383 -0.273 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1nn(C)cc1[O-] ZINC001364395573 982959287 /nfs/dbraw/zinc/95/92/87/982959287.db2.gz MLMKHTBBIAWJKI-DTWKUNHWSA-N -1 0 316.383 -0.273 20 0 DBADRM CC(C)(CNC(=O)c1n[nH]c(=O)[n-]1)[C@@H]1COCC12OCCO2 ZINC001364513946 983033164 /nfs/dbraw/zinc/03/31/64/983033164.db2.gz XTNDABSFFZRPAE-QMMMGPOBSA-N -1 0 312.326 -0.344 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC001364525703 983040651 /nfs/dbraw/zinc/04/06/51/983040651.db2.gz VXUYNNHLTMKILB-SSDOTTSWSA-N -1 0 306.282 -0.016 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)n1 ZINC001364566162 983055592 /nfs/dbraw/zinc/05/55/92/983055592.db2.gz AAKQMPNPIXUIHF-MRVPVSSYSA-N -1 0 301.310 -0.416 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@H](NC(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001364594076 983063873 /nfs/dbraw/zinc/06/38/73/983063873.db2.gz HRFQYDXINWQMJD-IZLXSQMJSA-N -1 0 306.369 -0.706 20 0 DBADRM CC(=O)NCCN(C)C(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001364721317 983106824 /nfs/dbraw/zinc/10/68/24/983106824.db2.gz HBSIICTXBFUTAD-UHFFFAOYSA-N -1 0 323.353 -0.468 20 0 DBADRM O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1c[n-]n2c1nccc2=O ZINC001364735667 983113025 /nfs/dbraw/zinc/11/30/25/983113025.db2.gz ZHIYXHWYEAOHOG-YWVKMMECSA-N -1 0 304.306 -0.444 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@H]1CCCS(=O)(=O)C1 ZINC001364768147 983126922 /nfs/dbraw/zinc/12/69/22/983126922.db2.gz QNLUOSGBPOUHGH-ZETCQYMHSA-N -1 0 304.415 -0.874 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(N)=O ZINC001364767204 983127353 /nfs/dbraw/zinc/12/73/53/983127353.db2.gz PTJCGQZQEFYXKE-JTQLQIEISA-N -1 0 319.408 -0.355 20 0 DBADRM COC(=O)[C@]1(NS(=O)(=O)c2cnc(OC)s2)CCOC1 ZINC001364798499 983140199 /nfs/dbraw/zinc/14/01/99/983140199.db2.gz QHIADSJALGSNBJ-JTQLQIEISA-N -1 0 322.364 -0.238 20 0 DBADRM COC[C@H](NS(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1)C(N)=O ZINC001364796427 983140536 /nfs/dbraw/zinc/14/05/36/983140536.db2.gz GAJZVTFTGDKDLZ-OUAUKWLOSA-N -1 0 306.384 -0.636 20 0 DBADRM CN(C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1nnn[n-]1 ZINC001532475755 1014917376 /nfs/dbraw/zinc/91/73/76/1014917376.db2.gz YOJWQCXASPIINN-RKDXNWHRSA-N -1 0 306.326 -0.272 20 0 DBADRM COC[C@@H](NC(=O)CNC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001364811722 983146658 /nfs/dbraw/zinc/14/66/58/983146658.db2.gz CHACFGGUXGLTMK-SSDOTTSWSA-N -1 0 300.319 -0.472 20 0 DBADRM COC[C@H](NC(=O)CN(C)C(=O)c1cccs1)c1nnn[n-]1 ZINC001364811603 983146974 /nfs/dbraw/zinc/14/69/74/983146974.db2.gz BIFYAEPMGBIISP-QMMMGPOBSA-N -1 0 324.366 -0.163 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](C)Oc1cccc(CO)c1)c1nnn[n-]1 ZINC001364814973 983149309 /nfs/dbraw/zinc/14/93/09/983149309.db2.gz OOSZKASCFBWMRA-BXKDBHETSA-N -1 0 321.337 -0.037 20 0 DBADRM CC[C@H]1C(=O)NCCCN1Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001364813278 983149771 /nfs/dbraw/zinc/14/97/71/983149771.db2.gz MUJGADLZPUCCIS-VIFPVBQESA-N -1 0 305.342 -0.900 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)OC)C1)c1nnn[n-]1 ZINC001364813674 983150334 /nfs/dbraw/zinc/15/03/34/983150334.db2.gz JRZKORUKUPZFLX-UTLUCORTSA-N -1 0 311.342 -0.017 20 0 DBADRM COC[C@@H](NC(=O)c1cc2n(n1)CCCC2=O)c1nnn[n-]1 ZINC001364816061 983151332 /nfs/dbraw/zinc/15/13/32/983151332.db2.gz SDCCLLROMRPORF-MRVPVSSYSA-N -1 0 305.298 -0.510 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)c1 ZINC001364818832 983153504 /nfs/dbraw/zinc/15/35/04/983153504.db2.gz NDUYTGYVMGBWAY-QMMMGPOBSA-N -1 0 303.326 -0.278 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)CC1 ZINC001364820056 983154140 /nfs/dbraw/zinc/15/41/40/983154140.db2.gz SZKDJDTXRCAJRP-VIFPVBQESA-N -1 0 313.383 -0.442 20 0 DBADRM C[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ncn(C)n1 ZINC001364823490 983156913 /nfs/dbraw/zinc/15/69/13/983156913.db2.gz SFEQIJJCRSYINO-QMMMGPOBSA-N -1 0 307.401 -0.028 20 0 DBADRM CN(C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1nnn[n-]1 ZINC001532475751 1014918353 /nfs/dbraw/zinc/91/83/53/1014918353.db2.gz YOJWQCXASPIINN-DTORHVGOSA-N -1 0 306.326 -0.272 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@](C)(C(N)=O)C2)n[nH]1 ZINC001364824501 983158355 /nfs/dbraw/zinc/15/83/55/983158355.db2.gz BUTDERANDXHTTO-NSHDSACASA-N -1 0 316.339 -0.918 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H]1C(=O)NCC[C@@H]1C ZINC001364853119 983170861 /nfs/dbraw/zinc/17/08/61/983170861.db2.gz FFBGFHPIZWZTIK-IONNQARKSA-N -1 0 316.335 -0.131 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H]1C(=O)NCC[C@H]1C ZINC001364853125 983171096 /nfs/dbraw/zinc/17/10/96/983171096.db2.gz FFBGFHPIZWZTIK-VXNVDRBHSA-N -1 0 316.335 -0.131 20 0 DBADRM C[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)NCCF ZINC001364856361 983172609 /nfs/dbraw/zinc/17/26/09/983172609.db2.gz YZNLWEFYWCJWMY-QMMMGPOBSA-N -1 0 315.392 -0.443 20 0 DBADRM NC(=O)[C@]1(NS(=O)(=O)c2cccc(Cl)c2[O-])CCOC1 ZINC001364867166 983176877 /nfs/dbraw/zinc/17/68/77/983176877.db2.gz AYPBJXHEHIKCOL-NSHDSACASA-N -1 0 320.754 -0.032 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NCc1cnc(C)o1 ZINC001364885007 983185785 /nfs/dbraw/zinc/18/57/85/983185785.db2.gz QVYNAISKBAZUKO-UHFFFAOYSA-N -1 0 300.296 -0.029 20 0 DBADRM O=C1CCCN1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC001364897119 983189945 /nfs/dbraw/zinc/18/99/45/983189945.db2.gz NTRSUVIBXBGKGP-UHFFFAOYSA-N -1 0 308.323 -0.522 20 0 DBADRM CNC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1ncc[n-]1 ZINC001364927353 983200810 /nfs/dbraw/zinc/20/08/10/983200810.db2.gz KKAPJPNZLRCEDA-SECBINFHSA-N -1 0 301.372 -0.118 20 0 DBADRM C[C@]1(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CCNC1=O ZINC001364989298 983222822 /nfs/dbraw/zinc/22/28/22/983222822.db2.gz SNBWOGMKLXYIGC-ZDUSSCGKSA-N -1 0 301.310 -0.917 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@@H](CS(C)(=O)=O)C1 ZINC001365056330 983244140 /nfs/dbraw/zinc/24/41/40/983244140.db2.gz NEPKALPDLBHLGJ-MRVPVSSYSA-N -1 0 302.360 -0.987 20 0 DBADRM CC[C@@H]1CN(C(=O)N=c2nn[n-]n2CC)C[C@@H](C)S1(=O)=O ZINC001365056237 983244165 /nfs/dbraw/zinc/24/41/65/983244165.db2.gz KETKXLBIRFVPEM-RKDXNWHRSA-N -1 0 316.387 -0.456 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001365056445 983244408 /nfs/dbraw/zinc/24/44/08/983244408.db2.gz OPCINNZUVOUGSD-SECBINFHSA-N -1 0 307.289 -0.398 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCCS(=O)(=O)C[C@H]1C ZINC001365056493 983244446 /nfs/dbraw/zinc/24/44/46/983244446.db2.gz PEPYKGPJMUXFOH-MRVPVSSYSA-N -1 0 302.360 -0.844 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H](C(=O)OC)[C@H]1CCOC1 ZINC001365056665 983244680 /nfs/dbraw/zinc/24/46/80/983244680.db2.gz RIIMMTOPRKPHEQ-IUCAKERBSA-N -1 0 312.330 -0.938 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC001365056565 983245056 /nfs/dbraw/zinc/24/50/56/983245056.db2.gz QMFITLSKFVDTDL-SECBINFHSA-N -1 0 308.342 -0.078 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)n[n-]1 ZINC001365187415 983290522 /nfs/dbraw/zinc/29/05/22/983290522.db2.gz XQEIZMKIWZJORR-LURJTMIESA-N -1 0 320.352 -0.905 20 0 DBADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CC2(C1)CNC(=O)O2 ZINC001365198090 983294233 /nfs/dbraw/zinc/29/42/33/983294233.db2.gz VNIBJBKPKYLSOM-UHFFFAOYSA-N -1 0 316.273 -0.036 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001365201701 983296571 /nfs/dbraw/zinc/29/65/71/983296571.db2.gz JLXYBEVGMFWEHF-KOLCDFICSA-N -1 0 319.325 -0.133 20 0 DBADRM C[C@]12CN(C(=O)c3n[nH]c(=O)[n-]3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001365214660 983298877 /nfs/dbraw/zinc/29/88/77/983298877.db2.gz OUDCNIHAUYMDSW-PHIMTYICSA-N -1 0 300.340 -0.593 20 0 DBADRM C[C@@H](CS(C)(=O)=O)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001365372038 983351882 /nfs/dbraw/zinc/35/18/82/983351882.db2.gz HQARJBFKYYXHPX-QMMMGPOBSA-N -1 0 318.442 -0.484 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](C)C(=O)NCCF ZINC001365384890 983358668 /nfs/dbraw/zinc/35/86/68/983358668.db2.gz JFZKUSUUQRLSAS-MRVPVSSYSA-N -1 0 317.408 -0.197 20 0 DBADRM COC[C@@H](CCO)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001365387451 983359713 /nfs/dbraw/zinc/35/97/13/983359713.db2.gz CXKMJWDNEVSOIK-SECBINFHSA-N -1 0 300.402 -0.520 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)N[C@H](CCO)C1CCOCC1 ZINC001365391256 983361305 /nfs/dbraw/zinc/36/13/05/983361305.db2.gz XECVHIWZALTLBX-SNVBAGLBSA-N -1 0 314.429 -0.274 20 0 DBADRM COC[C@H](O)CCNS(=O)(=O)c1n[nH]c(C)c1C(=O)OC ZINC001365391568 983361374 /nfs/dbraw/zinc/36/13/74/983361374.db2.gz ZTYJIRUOXBFESM-MRVPVSSYSA-N -1 0 321.355 -0.820 20 0 DBADRM CCN1C[C@@H]([N-]S(=O)(=O)c2occc2C(=O)OC)CC1=O ZINC001365396651 983364972 /nfs/dbraw/zinc/36/49/72/983364972.db2.gz CTYPDMDTZVQJPT-QMMMGPOBSA-N -1 0 316.335 -0.035 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCC(C)(C)CO)n[nH]1 ZINC001365408289 983368350 /nfs/dbraw/zinc/36/83/50/983368350.db2.gz KFYGGEXLPJQKLP-UHFFFAOYSA-N -1 0 305.356 -0.117 20 0 DBADRM Cn1cnnc1S(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365413042 983372274 /nfs/dbraw/zinc/37/22/74/983372274.db2.gz SAQQRVSRRCVPOZ-ZETCQYMHSA-N -1 0 313.343 -0.793 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H](C(=O)OC)[C@@H](C)O ZINC001365459203 983395582 /nfs/dbraw/zinc/39/55/82/983395582.db2.gz SBSUIZDEYLXJKR-SVRRBLITSA-N -1 0 321.307 -0.733 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](C)c1nnnn1C ZINC001365470116 983398971 /nfs/dbraw/zinc/39/89/71/983398971.db2.gz ZOLCIMPXNXGJKL-ZCFIWIBFSA-N -1 0 319.778 -0.055 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC001365501123 983404000 /nfs/dbraw/zinc/40/40/00/983404000.db2.gz SQCMXKDCHIJARJ-QMMMGPOBSA-N -1 0 302.360 -0.939 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001365501387 983404395 /nfs/dbraw/zinc/40/43/95/983404395.db2.gz UQSNYSVLBOWWRR-BDAKNGLRSA-N -1 0 314.371 -0.702 20 0 DBADRM Cc1c(NC(=O)N2CCC(n3c(=O)[n-][nH]c3=O)CC2)nnn1C ZINC001365510621 983405258 /nfs/dbraw/zinc/40/52/58/983405258.db2.gz WCBVSMHWNSPCRP-UHFFFAOYSA-N -1 0 322.329 -0.005 20 0 DBADRM Cn1cnc(CNC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC001365572525 983423558 /nfs/dbraw/zinc/42/35/58/983423558.db2.gz WZKNENVKLNUGGD-MRVPVSSYSA-N -1 0 306.330 -0.272 20 0 DBADRM CCCn1nccc1C(=O)NCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596120782 983456304 /nfs/dbraw/zinc/45/63/04/983456304.db2.gz YQOZQLORJKXIPA-UWVGGRQHSA-N -1 0 308.338 -0.140 20 0 DBADRM O=C(NC[C@H]1CNC(=O)C1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365646291 983456606 /nfs/dbraw/zinc/45/66/06/983456606.db2.gz OYKMWOKQCZCTRD-RKDXNWHRSA-N -1 0 308.342 -0.465 20 0 DBADRM CC[C@@H](C)[C@@H](O)CNS(=O)(=O)c1cc(C(=O)OC)[nH]n1 ZINC001365660907 983462762 /nfs/dbraw/zinc/46/27/62/983462762.db2.gz VHIBXHGWBBIVPU-APPZFPTMSA-N -1 0 305.356 -0.118 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CCO)C2CC2)n[nH]1 ZINC001365660318 983463542 /nfs/dbraw/zinc/46/35/42/983463542.db2.gz OGRGODCAPVZYFJ-MRVPVSSYSA-N -1 0 303.340 -0.364 20 0 DBADRM CCCn1nnnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001596126117 983464718 /nfs/dbraw/zinc/46/47/18/983464718.db2.gz WOKJZUNVZRWSIC-DBIOUOCHSA-N -1 0 322.369 -0.459 20 0 DBADRM CN(C1CCN(S(C)(=O)=O)CC1)S(=O)(=O)c1ncc[n-]1 ZINC001365681016 983475692 /nfs/dbraw/zinc/47/56/92/983475692.db2.gz ARPBHAIPZCYZHR-UHFFFAOYSA-N -1 0 322.412 -0.546 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1cc([O-])cc(F)c1)C(N)=O ZINC001365684222 983477558 /nfs/dbraw/zinc/47/75/58/983477558.db2.gz QLOUKEVQOPNCBM-JTQLQIEISA-N -1 0 306.315 -0.300 20 0 DBADRM O=C([C@@H]1CCCOCC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001365692752 983483695 /nfs/dbraw/zinc/48/36/95/983483695.db2.gz TUHRQSKQTSLESW-LLVKDONJSA-N -1 0 309.370 -0.029 20 0 DBADRM O=c1nc(CCNS(=O)(=O)CC[C@@H]2CCCCO2)[n-]o1 ZINC001365703701 983489284 /nfs/dbraw/zinc/48/92/84/983489284.db2.gz LPOPYKPLKZLJGX-VIFPVBQESA-N -1 0 305.356 -0.216 20 0 DBADRM COC(=O)[C@@H](CF)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001365710860 983493784 /nfs/dbraw/zinc/49/37/84/983493784.db2.gz WSXQDYNXAPEENU-SSDOTTSWSA-N -1 0 302.349 -0.406 20 0 DBADRM CCNC(=O)C(C)(C)NS(=O)(=O)c1n[nH]cc1C(=O)OC ZINC001365711929 983495142 /nfs/dbraw/zinc/49/51/42/983495142.db2.gz KIHOCIZFBMJUOC-UHFFFAOYSA-N -1 0 318.355 -0.611 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1C(=O)OCC1(C)C ZINC001365713587 983497208 /nfs/dbraw/zinc/49/72/08/983497208.db2.gz QINKTYQATVBSHA-ZETCQYMHSA-N -1 0 317.323 -0.574 20 0 DBADRM CC(C)n1nnc([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)n1 ZINC001365739345 983514604 /nfs/dbraw/zinc/51/46/04/983514604.db2.gz IVMDEFRZNPXMQV-GOSISDBHSA-N -1 0 311.393 -0.515 20 0 DBADRM COC(=O)C(F)(F)C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001365745664 983519080 /nfs/dbraw/zinc/51/90/80/983519080.db2.gz XMWAHDLMNDPJBA-SFHVURJKSA-N -1 0 323.343 -0.797 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]CC(F)(F)C(=O)OC ZINC001365745406 983520298 /nfs/dbraw/zinc/52/02/98/983520298.db2.gz ODAKBMXCXIAHPH-UHFFFAOYSA-N -1 0 305.299 -0.625 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)CCc1cn[nH]c1 ZINC001365795536 983534613 /nfs/dbraw/zinc/53/46/13/983534613.db2.gz PKZMMLOKSKRDSD-NSHDSACASA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)CCc1cn[nH]c1 ZINC001365795534 983535771 /nfs/dbraw/zinc/53/57/71/983535771.db2.gz PKZMMLOKSKRDSD-LLVKDONJSA-N -1 0 319.369 -0.101 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC001365821789 983543557 /nfs/dbraw/zinc/54/35/57/983543557.db2.gz LNLVBCJPMKMEQU-SNVBAGLBSA-N -1 0 302.342 -0.090 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC(C)(C)[C@@]1(O)CCCOC1 ZINC001365822961 983544018 /nfs/dbraw/zinc/54/40/18/983544018.db2.gz OYVACHURRQYRIK-CYBMUJFWSA-N -1 0 312.374 -0.196 20 0 DBADRM CN(CCN(C)C(=O)C(C)(F)F)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001532867476 1014956882 /nfs/dbraw/zinc/95/68/82/1014956882.db2.gz QZMYKOBISSXCBU-UHFFFAOYSA-N -1 0 321.284 -0.739 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](N(CCO)Cc2n[nH]c(=O)[n-]2)C1 ZINC001365883597 983576429 /nfs/dbraw/zinc/57/64/29/983576429.db2.gz SQNKPCZQZNHSOW-TUAOUCFPSA-N -1 0 323.397 -0.048 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](N(CCO)Cc2n[nH]c(=O)[n-]2)C1 ZINC001365883593 983577236 /nfs/dbraw/zinc/57/72/36/983577236.db2.gz SQNKPCZQZNHSOW-IJLUTSLNSA-N -1 0 323.397 -0.048 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CCn2ccnn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001365889969 983583146 /nfs/dbraw/zinc/58/31/46/983583146.db2.gz MVWUBHGSWZTIJD-ZJUUUORDSA-N -1 0 320.357 -0.729 20 0 DBADRM CCN1CCO[C@@H](C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001596442469 1017145193 /nfs/dbraw/zinc/14/51/93/1017145193.db2.gz LWAFZYZFOABNKQ-CHWSQXEVSA-N -1 0 307.350 -0.086 20 0 DBADRM CC1(CC(=O)NCCN2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001365959158 983613113 /nfs/dbraw/zinc/61/31/13/983613113.db2.gz BRGJRTIRTKKCFO-UHFFFAOYSA-N -1 0 322.413 -0.066 20 0 DBADRM CCOCC(=O)N[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001365976423 983632074 /nfs/dbraw/zinc/63/20/74/983632074.db2.gz UTFIKVKZXFAXAA-NSHDSACASA-N -1 0 319.365 -0.250 20 0 DBADRM CO[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)C1CCC1 ZINC001366117144 983703999 /nfs/dbraw/zinc/70/39/99/983703999.db2.gz AFFWBCTVNDBBGM-NQBHXWOUSA-N -1 0 323.397 -0.340 20 0 DBADRM CC(C)(O)CC(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366167288 983729683 /nfs/dbraw/zinc/72/96/83/983729683.db2.gz KOXNHRPSAOPZDF-SNVBAGLBSA-N -1 0 311.386 -0.001 20 0 DBADRM COC[C@H](C)[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001366238024 983750190 /nfs/dbraw/zinc/75/01/90/983750190.db2.gz LJALBHARWIAXCS-VLLVSFFDSA-N -1 0 323.397 -0.025 20 0 DBADRM CN(CCNC(=O)c1cn2c(n1)COCC2)Cc1n[nH]c(=O)[n-]1 ZINC001366541876 983855220 /nfs/dbraw/zinc/85/52/20/983855220.db2.gz YXXLZZXSMGBVCB-UHFFFAOYSA-N -1 0 321.341 -0.901 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NC[C@H]1CCCN1CCF ZINC001366663282 983896552 /nfs/dbraw/zinc/89/65/52/983896552.db2.gz OKAWSIHFYGUJFZ-SECBINFHSA-N -1 0 313.333 -0.235 20 0 DBADRM Cc1nonc1CC(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366709408 983937992 /nfs/dbraw/zinc/93/79/92/983937992.db2.gz NIICLDRPZHVUFI-VIFPVBQESA-N -1 0 321.341 -0.617 20 0 DBADRM O=C(CCc1cn[nH]c1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001366755116 983968097 /nfs/dbraw/zinc/96/80/97/983968097.db2.gz MUMKWODINZNXSH-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1cc(N(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)nc(C)n1 ZINC001366809556 984002793 /nfs/dbraw/zinc/00/27/93/984002793.db2.gz YMVLBUDAEDRPOA-UHFFFAOYSA-N -1 0 321.341 -0.651 20 0 DBADRM Cc1ccc(N(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001366808791 984004399 /nfs/dbraw/zinc/00/43/99/984004399.db2.gz UPOFINARHKHAEN-UHFFFAOYSA-N -1 0 307.314 -0.960 20 0 DBADRM CN(CCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C(=O)C1CCC1 ZINC001366852366 984020947 /nfs/dbraw/zinc/02/09/47/984020947.db2.gz BOYQCBUHETVYNI-UHFFFAOYSA-N -1 0 322.413 -0.114 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCN(CC(N)=O)C1 ZINC001367019763 984130831 /nfs/dbraw/zinc/13/08/31/984130831.db2.gz QKVJPFLSRRXIEW-ZETCQYMHSA-N -1 0 324.303 -0.881 20 0 DBADRM CC(=O)NCC(=O)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001367327801 984273186 /nfs/dbraw/zinc/27/31/86/984273186.db2.gz IPXKWRISUWMGMP-UHFFFAOYSA-N -1 0 322.369 -0.929 20 0 DBADRM CN(CCN(C)C(=O)C[C@H]1COC(=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001367505244 984325432 /nfs/dbraw/zinc/32/54/32/984325432.db2.gz BOWNEKZRYHGJMM-SECBINFHSA-N -1 0 311.342 -0.646 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1CCC(=O)N1C)Cc1n[nH]c(=O)[n-]1 ZINC001367531139 984336798 /nfs/dbraw/zinc/33/67/98/984336798.db2.gz CRHJPZJLZJVPQT-SECBINFHSA-N -1 0 310.358 -0.979 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001367810130 984641319 /nfs/dbraw/zinc/64/13/19/984641319.db2.gz ABHSBJSXKSFZEH-YMTOWFKASA-N -1 0 324.385 -0.637 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001367810087 984642222 /nfs/dbraw/zinc/64/22/22/984642222.db2.gz ABHSBJSXKSFZEH-LKFCYVNXSA-N -1 0 324.385 -0.637 20 0 DBADRM CCOc1cc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001367815886 984648063 /nfs/dbraw/zinc/64/80/63/984648063.db2.gz WKZDZIOUZVEXKR-QMMMGPOBSA-N -1 0 323.357 -0.118 20 0 DBADRM Cc1cc(C)n(CC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001367953408 984816274 /nfs/dbraw/zinc/81/62/74/984816274.db2.gz QGODPEYPTZPHSM-NSHDSACASA-N -1 0 319.369 -0.286 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001367963057 984821214 /nfs/dbraw/zinc/82/12/14/984821214.db2.gz JBROJCMWVJEETA-VIFPVBQESA-N -1 0 310.358 -0.885 20 0 DBADRM CC[C@@H]1CCC[C@@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368315781 985082103 /nfs/dbraw/zinc/08/21/03/985082103.db2.gz NHPHPHYROCEHKZ-MNOVXSKESA-N -1 0 323.397 -0.001 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001596441925 1017147179 /nfs/dbraw/zinc/14/71/79/1017147179.db2.gz ATGWRSNVFARRPM-GHMZBOCLSA-N -1 0 316.354 -0.570 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)Cn1ccnc1 ZINC001368459427 985201976 /nfs/dbraw/zinc/20/19/76/985201976.db2.gz XLPZEZNLBFCKTB-SNVBAGLBSA-N -1 0 305.342 -0.560 20 0 DBADRM O=C(C(F)F)N1CCC[C@@H](N(CCO)Cc2n[nH]c(=O)[n-]2)C1 ZINC001368711527 985368311 /nfs/dbraw/zinc/36/83/11/985368311.db2.gz RVTFDLFZOJDGEB-MRVPVSSYSA-N -1 0 319.312 -0.439 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NCc2cn(C)nn2)c1[O-] ZINC001368833337 985494517 /nfs/dbraw/zinc/49/45/17/985494517.db2.gz BIAHCYGBTWXZEJ-YUMQZZPRSA-N -1 0 307.358 -0.151 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001368997914 985637939 /nfs/dbraw/zinc/63/79/39/985637939.db2.gz QWKFSKXGKVIWKI-QMMMGPOBSA-N -1 0 307.358 -0.279 20 0 DBADRM O=C(NC1(CCO)CN(CCF)C1)c1c[n-]n2c1nccc2=O ZINC001369027529 985673464 /nfs/dbraw/zinc/67/34/64/985673464.db2.gz DUXQVZMWGPAKSF-UHFFFAOYSA-N -1 0 323.328 -0.841 20 0 DBADRM C[C@@H](NC(=O)C[C@H]1CCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369085542 985711118 /nfs/dbraw/zinc/71/11/18/985711118.db2.gz HZJDPZRMHWKAFY-NXEZZACHSA-N -1 0 309.370 -0.127 20 0 DBADRM Cc1ccc(CC(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001369344734 985935482 /nfs/dbraw/zinc/93/54/82/985935482.db2.gz QRGKOKAGYODPBN-LBPRGKRZSA-N -1 0 319.365 -0.372 20 0 DBADRM CC(C)(C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C(F)F ZINC001369353401 985951948 /nfs/dbraw/zinc/95/19/48/985951948.db2.gz TVKLASVZKUFYQN-LURJTMIESA-N -1 0 307.301 -0.632 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@H]1C1CCC1 ZINC001369363048 985978873 /nfs/dbraw/zinc/97/88/73/985978873.db2.gz OIGFHELCQUKHJV-GARJFASQSA-N -1 0 309.370 -0.487 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001369369813 985997761 /nfs/dbraw/zinc/99/77/61/985997761.db2.gz AGFKHHNLAPQZTM-MDJFAJHMSA-N -1 0 321.381 -0.631 20 0 DBADRM O=C(NCC=CCNC(=O)[C@@H]1CC12CC2)c1n[nH]c(=O)[n-]c1=O ZINC001533575364 1015197972 /nfs/dbraw/zinc/19/79/72/1015197972.db2.gz GFKGNCYRJFYKSJ-CMLYIYFCSA-N -1 0 319.321 -0.515 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC001369532927 986274459 /nfs/dbraw/zinc/27/44/59/986274459.db2.gz CRMISTFKRWHQCI-QMMMGPOBSA-N -1 0 324.341 -0.150 20 0 DBADRM CCC(=O)N1CCC[C@@H]1CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001369592970 986299543 /nfs/dbraw/zinc/29/95/43/986299543.db2.gz CYSGOOITOZAEPK-SECBINFHSA-N -1 0 311.342 -0.451 20 0 DBADRM O=C(NCCNC(=O)c1c[n-]n2c1nccc2=O)c1ccco1 ZINC001491071927 1015215321 /nfs/dbraw/zinc/21/53/21/1015215321.db2.gz OEWUTOUZKSRMHJ-UHFFFAOYSA-N -1 0 315.289 -0.225 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)Cc2nnc[nH]2)c1[O-] ZINC001369845198 986401709 /nfs/dbraw/zinc/40/17/09/986401709.db2.gz SHAFAYLLOPAFRM-ZETCQYMHSA-N -1 0 321.341 -0.639 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)Cc2ncc[nH]2)c1[O-] ZINC001369848159 986403140 /nfs/dbraw/zinc/40/31/40/986403140.db2.gz WVIRYYBKJPBYDW-QMMMGPOBSA-N -1 0 320.353 -0.034 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)CC1(C)CC1 ZINC001533824588 1015218453 /nfs/dbraw/zinc/21/84/53/1015218453.db2.gz MXDNKGQSGSTYNU-SECBINFHSA-N -1 0 322.365 -0.089 20 0 DBADRM CSCCC(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001533848230 1015219833 /nfs/dbraw/zinc/21/98/33/1015219833.db2.gz SVFAOTOGFGTTCW-SSDOTTSWSA-N -1 0 317.371 -0.937 20 0 DBADRM CCNC(=O)NCCNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001596471445 1017151054 /nfs/dbraw/zinc/15/10/54/1017151054.db2.gz ZCYIDBJLNCXXJM-UHFFFAOYSA-N -1 0 316.339 -0.623 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CCNC(=O)C3CC3)C2)c1[O-] ZINC001369971849 986515508 /nfs/dbraw/zinc/51/55/08/986515508.db2.gz UFGGKHNAQAZPSE-NSHDSACASA-N -1 0 321.381 -0.246 20 0 DBADRM Cc1cc(OCC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001369986317 986531916 /nfs/dbraw/zinc/53/19/16/986531916.db2.gz LQYMRFUGKWFAOJ-VIFPVBQESA-N -1 0 322.325 -0.424 20 0 DBADRM CC(C)CC(=O)N[C@@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001533965630 1015228357 /nfs/dbraw/zinc/22/83/57/1015228357.db2.gz QJRLGZURDAVOPL-VIFPVBQESA-N -1 0 310.354 -0.234 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)c2cn(C)nn2)c1[O-] ZINC001370489909 986767647 /nfs/dbraw/zinc/76/76/47/986767647.db2.gz FIAAWFASTPKTDA-ZETCQYMHSA-N -1 0 321.341 -0.557 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC(C)C1 ZINC001370564895 986803064 /nfs/dbraw/zinc/80/30/64/986803064.db2.gz VDTSYTOSZYEEFY-MGURRDGZSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC001370683053 986882273 /nfs/dbraw/zinc/88/22/73/986882273.db2.gz KIBFSMGRBLPXCQ-ZNSHCXBVSA-N -1 0 322.365 -0.323 20 0 DBADRM O=C(CCc1ccncc1)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001370729594 986936692 /nfs/dbraw/zinc/93/66/92/986936692.db2.gz IAUVQEHSYOKMST-LLVKDONJSA-N -1 0 318.337 -0.961 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2ccn(CCn3cccn3)n2)CCOC1 ZINC001594723598 987219811 /nfs/dbraw/zinc/21/98/11/987219811.db2.gz HNFBBQPGAWHDHX-AWEZNQCLSA-N -1 0 319.321 -0.247 20 0 DBADRM C/C=C(/C)C(=O)NCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001491212277 1015293681 /nfs/dbraw/zinc/29/36/81/1015293681.db2.gz DRZJRZJZVAAHBX-BAQGIRSFSA-N -1 0 309.326 -0.586 20 0 DBADRM CCN(C(=O)C(F)F)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001371352632 987323013 /nfs/dbraw/zinc/32/30/13/987323013.db2.gz CPTWMLQOOPOFAD-RXMQYKEDSA-N -1 0 319.268 -0.485 20 0 DBADRM CCC(=O)NCCC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001371377995 987330483 /nfs/dbraw/zinc/33/04/83/987330483.db2.gz BTDOOUFCWATGEV-UHFFFAOYSA-N -1 0 309.326 -0.291 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1Cc2cccnc2C1)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001371443869 987348794 /nfs/dbraw/zinc/34/87/94/987348794.db2.gz SDWKUQKNSVNLKY-ONGXEEELSA-N -1 0 316.365 -0.085 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)CCCC(N)=O)C1 ZINC001371694744 987468713 /nfs/dbraw/zinc/46/87/13/987468713.db2.gz BYSSBEMQLVBTNF-SNVBAGLBSA-N -1 0 324.385 -0.411 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001534951871 1015311278 /nfs/dbraw/zinc/31/12/78/1015311278.db2.gz UVWRLCGSZZSQIX-IWSPIJDZSA-N -1 0 309.326 -0.938 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1C(=O)c1ccoc1 ZINC001534949805 1015312182 /nfs/dbraw/zinc/31/21/82/1015312182.db2.gz HIOULBHZPQBRPX-VIFPVBQESA-N -1 0 321.293 -0.687 20 0 DBADRM Cc1nocc1CN(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001372024006 987615528 /nfs/dbraw/zinc/61/55/28/987615528.db2.gz GJOFLFATRKSNIP-UHFFFAOYSA-N -1 0 308.298 -0.559 20 0 DBADRM Cc1ncc(CN(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)cn1 ZINC001372211658 987679983 /nfs/dbraw/zinc/67/99/83/987679983.db2.gz QMZZGMIHOJNQOJ-UHFFFAOYSA-N -1 0 321.341 -0.964 20 0 DBADRM C[C@@H](c1ncccn1)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001372210026 987680359 /nfs/dbraw/zinc/68/03/59/987680359.db2.gz JUISKJMLCSMQNO-VIFPVBQESA-N -1 0 321.341 -0.712 20 0 DBADRM CCN(CCNC(=O)[C@H]1CCC(=O)N1C)Cc1n[nH]c(=O)[n-]1 ZINC001372399972 987753014 /nfs/dbraw/zinc/75/30/14/987753014.db2.gz FIHAQWKTXUDNDG-SECBINFHSA-N -1 0 310.358 -0.931 20 0 DBADRM CCN(CCNC(=O)c1cn(CC)nn1)Cc1n[nH]c(=O)[n-]1 ZINC001372447328 987765812 /nfs/dbraw/zinc/76/58/12/987765812.db2.gz SVZUYWHHBOLDOE-UHFFFAOYSA-N -1 0 308.346 -0.626 20 0 DBADRM CC(C)CC(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001535094526 1015333884 /nfs/dbraw/zinc/33/38/84/1015333884.db2.gz AVGJXTXUXKXDSG-UHFFFAOYSA-N -1 0 309.326 -0.293 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001372591831 987816720 /nfs/dbraw/zinc/81/67/20/987816720.db2.gz UVRRVRJNJSEYEL-BBBLOLIVSA-N -1 0 322.365 -0.091 20 0 DBADRM CCCN(CCNC(=O)Cc1c[nH]cn1)Cc1n[nH]c(=O)[n-]1 ZINC001372740812 987859931 /nfs/dbraw/zinc/85/99/31/987859931.db2.gz XIGRPOPHDWIHFC-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM CC(C)C(=O)NC[C@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001372785365 987877466 /nfs/dbraw/zinc/87/74/66/987877466.db2.gz YEGVFJFEXIXBAM-VIFPVBQESA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1cncn1CC(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001372820912 987896812 /nfs/dbraw/zinc/89/68/12/987896812.db2.gz LLFAKXOZIBWEHL-MRVPVSSYSA-N -1 0 320.353 -0.137 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC1(C)C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001372852887 987918894 /nfs/dbraw/zinc/91/88/94/987918894.db2.gz NVBFRUPZBCSSEL-PSASIEDQSA-N -1 0 322.365 -0.234 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)Cn3ccnc3)CC2)c1[O-] ZINC001535210784 1015353066 /nfs/dbraw/zinc/35/30/66/1015353066.db2.gz NDGNHPKCYKJXGM-UHFFFAOYSA-N -1 0 318.337 -0.301 20 0 DBADRM CC1(C)C[C@H]1C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001535212468 1015353913 /nfs/dbraw/zinc/35/39/13/1015353913.db2.gz DSQLYBCPLJGIBJ-ZETCQYMHSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1CC1(C)C ZINC001373010534 988037634 /nfs/dbraw/zinc/03/76/34/988037634.db2.gz CSIOXPZGSDMEJG-JGVFFNPUSA-N -1 0 311.342 -0.644 20 0 DBADRM C[C@H](CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001373321429 988228367 /nfs/dbraw/zinc/22/83/67/988228367.db2.gz LAPGEWUBFJKHQQ-OPRDCNLKSA-N -1 0 322.365 -0.234 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N[C@](C)(COC)C(=O)[O-])C(C)=O ZINC001596526235 1017153858 /nfs/dbraw/zinc/15/38/58/1017153858.db2.gz LQDVLSHZMJQJSU-TVQRCGJNSA-N -1 0 303.311 -0.249 20 0 DBADRM Cc1c[nH]nc1C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001373429960 988346502 /nfs/dbraw/zinc/34/65/02/988346502.db2.gz QXRRMBVDHZSIEN-UHFFFAOYSA-N -1 0 306.326 -0.043 20 0 DBADRM Cc1cc(OCC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001373436511 988351298 /nfs/dbraw/zinc/35/12/98/988351298.db2.gz NJTVGGSNHJMZCA-UHFFFAOYSA-N -1 0 308.298 -0.814 20 0 DBADRM C[C@H](C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1)C1CC1 ZINC001535695660 1015386011 /nfs/dbraw/zinc/38/60/11/1015386011.db2.gz PFIUDNKCUYTAJD-QMMMGPOBSA-N -1 0 323.353 -0.500 20 0 DBADRM CCNC(=O)CN1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001373471740 988382681 /nfs/dbraw/zinc/38/26/81/988382681.db2.gz ITOHWJCQPBRGSZ-UHFFFAOYSA-N -1 0 319.321 -0.522 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2cnn(C)n2)c1[O-] ZINC001373560676 988449505 /nfs/dbraw/zinc/44/95/05/988449505.db2.gz FJDHSUVAWACQLQ-UHFFFAOYSA-N -1 0 307.314 -0.946 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)Cc1ccco1 ZINC001373598224 988481241 /nfs/dbraw/zinc/48/12/41/988481241.db2.gz FTZWJPAYPVCXLF-UHFFFAOYSA-N -1 0 323.309 -0.900 20 0 DBADRM CN(C(=O)CCn1ccnc1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373679054 988547826 /nfs/dbraw/zinc/54/78/26/988547826.db2.gz RQXNQEAUDRZBQW-LLVKDONJSA-N -1 0 319.369 -0.170 20 0 DBADRM CCN(C(=O)Cc1cc[nH]n1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373705409 988559875 /nfs/dbraw/zinc/55/98/75/988559875.db2.gz WFOZVTHIGFSVPP-NSHDSACASA-N -1 0 319.369 -0.101 20 0 DBADRM CC[C@@H](C)C(=O)N(CC)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001373898751 988668752 /nfs/dbraw/zinc/66/87/52/988668752.db2.gz CWSZXRLZXFIGRV-SECBINFHSA-N -1 0 313.358 -0.300 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1(CNC(=O)[C@@H]2CC23CC3)CC1 ZINC001536046610 1015411037 /nfs/dbraw/zinc/41/10/37/1015411037.db2.gz GIGRHGJMLWIHJO-QMMMGPOBSA-N -1 0 321.337 -0.746 20 0 DBADRM CCC(=O)NC[C@H]1CCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001373975773 988704034 /nfs/dbraw/zinc/70/40/34/988704034.db2.gz UUPMNWNLNIWGIM-SECBINFHSA-N -1 0 308.338 -0.383 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N[C@H](C)c2nnnn2C)c1[O-] ZINC001491429708 1015413103 /nfs/dbraw/zinc/41/31/03/1015413103.db2.gz CVYTYQUGZMEYTK-POYBYMJQSA-N -1 0 308.346 -0.584 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)Cc3c[nH]cn3)CC2)c1[O-] ZINC001536062739 1015415085 /nfs/dbraw/zinc/41/50/85/1015415085.db2.gz WHXAVGOLGKJFSB-UHFFFAOYSA-N -1 0 318.337 -0.232 20 0 DBADRM O=C(Cc1ccon1)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001374126648 988794603 /nfs/dbraw/zinc/79/46/03/988794603.db2.gz WFQBFKOTPKCBIZ-JTQLQIEISA-N -1 0 322.325 -0.942 20 0 DBADRM CC1(C(=O)N(CCNC(=O)c2n[nH]c(=O)[n-]c2=O)C2CC2)CC1 ZINC001374275760 988844981 /nfs/dbraw/zinc/84/49/81/988844981.db2.gz RPHKSEPWTZZFRY-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM COc1nccc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001374517654 988895962 /nfs/dbraw/zinc/89/59/62/988895962.db2.gz VMOVHHMLWJWSDU-UHFFFAOYSA-N -1 0 321.341 -0.487 20 0 DBADRM C[C@H](C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1)[C@H]1CCC(=O)N1 ZINC001374533313 988898558 /nfs/dbraw/zinc/89/85/58/988898558.db2.gz GEKXLANPYJGHSO-VHSXEESVSA-N -1 0 324.385 -0.685 20 0 DBADRM C/C=C(/C)C(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001536329536 1015429735 /nfs/dbraw/zinc/42/97/35/1015429735.db2.gz ORSCOSHQXOPDHA-DAXSKMNVSA-N -1 0 307.310 -0.468 20 0 DBADRM C[C@H](C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1)[C@@H]1CCC(=O)N1 ZINC001374533311 988900690 /nfs/dbraw/zinc/90/06/90/988900690.db2.gz GEKXLANPYJGHSO-UWVGGRQHSA-N -1 0 324.385 -0.685 20 0 DBADRM CCc1ncoc1C(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597709334 988958747 /nfs/dbraw/zinc/95/87/47/988958747.db2.gz LJIBUCWQYYIJFP-IUCAKERBSA-N -1 0 307.306 -0.102 20 0 DBADRM CCc1ncoc1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597709335 988959087 /nfs/dbraw/zinc/95/90/87/988959087.db2.gz LJIBUCWQYYIJFP-RKDXNWHRSA-N -1 0 307.306 -0.102 20 0 DBADRM CCc1ncncc1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597709758 988962254 /nfs/dbraw/zinc/96/22/54/988962254.db2.gz WWMXBIIAPDHYJG-ZJUUUORDSA-N -1 0 318.333 -0.300 20 0 DBADRM CCc1nn(C)cc1C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001597718852 988997038 /nfs/dbraw/zinc/99/70/38/988997038.db2.gz VULLYIQUFRKAAC-IUCAKERBSA-N -1 0 309.322 -0.072 20 0 DBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001597718914 988998475 /nfs/dbraw/zinc/99/84/75/988998475.db2.gz ZYWLGLROSAFQQX-UHFFFAOYSA-N -1 0 317.367 -0.635 20 0 DBADRM CCc1nn(C)cc1C(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597722564 988999651 /nfs/dbraw/zinc/99/96/51/988999651.db2.gz BMOPTTLJMGNLNU-UWVGGRQHSA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001597722844 989003459 /nfs/dbraw/zinc/00/34/59/989003459.db2.gz NHKYUAGFPLPNJA-KCJUWKMLSA-N -1 0 324.337 -0.379 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001597723148 989006139 /nfs/dbraw/zinc/00/61/39/989006139.db2.gz TXZZBAPNLYNDGL-IUCAKERBSA-N -1 0 324.337 -0.785 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)C[C@](C)(O)C3CC3)C2)c1[O-] ZINC001374618555 989031081 /nfs/dbraw/zinc/03/10/81/989031081.db2.gz ANXXGRUMDRDYTD-HNNXBMFYSA-N -1 0 322.365 -0.085 20 0 DBADRM CCOC(=O)C(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001596509542 1017155138 /nfs/dbraw/zinc/15/51/38/1017155138.db2.gz PTPMWCSNSQYYND-UHFFFAOYSA-N -1 0 308.294 -0.614 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C[C@@H](C(=O)[O-])O1 ZINC001599864190 989217542 /nfs/dbraw/zinc/21/75/42/989217542.db2.gz UYCGXIOQMRLRKS-SCVCMEIPSA-N -1 0 324.337 -0.371 20 0 DBADRM C[C@@H]1CN(CC(=O)N(C)Cc2cnn(C)c2)C[C@@H](C(=O)[O-])O1 ZINC001599864831 989229641 /nfs/dbraw/zinc/22/96/41/989229641.db2.gz LEQTYJYJTMMHIX-PWSUYJOCSA-N -1 0 310.354 -0.448 20 0 DBADRM C[C@@H]1CN([C@H]2CCN(C3CCOCC3)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599865232 989240708 /nfs/dbraw/zinc/24/07/08/989240708.db2.gz ZNLJDBLSGWEESP-WXHSDQCUSA-N -1 0 312.366 -0.060 20 0 DBADRM C[C@@H]1CN(C[C@@H]2[C@H](C(=O)[O-])C2(F)F)CCN1S(C)(=O)=O ZINC001599865383 989243035 /nfs/dbraw/zinc/24/30/35/989243035.db2.gz AZXHNPSIXYQZBK-IWSPIJDZSA-N -1 0 312.338 -0.082 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)Cc2ncnn2C)c1[O-] ZINC001375021991 989365833 /nfs/dbraw/zinc/36/58/33/989365833.db2.gz PBBDRRNGWURQDJ-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@@](C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001536873730 1015472774 /nfs/dbraw/zinc/47/27/74/1015472774.db2.gz FRTHOOVVBLWFGE-CEOUIICOSA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001599877442 989437920 /nfs/dbraw/zinc/43/79/20/989437920.db2.gz SREDVZYYDRRIKL-HTQZYQBOSA-N -1 0 311.294 -0.881 20 0 DBADRM C[C@H](CN(C)CCF)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001375119370 989440698 /nfs/dbraw/zinc/44/06/98/989440698.db2.gz LCAJBWUMOUKSJA-SECBINFHSA-N -1 0 310.333 -0.523 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001375142305 989454602 /nfs/dbraw/zinc/45/46/02/989454602.db2.gz JDDNSOWBXUHJLJ-MRVPVSSYSA-N -1 0 307.358 -0.279 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@H](CC)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001375170937 989466417 /nfs/dbraw/zinc/46/64/17/989466417.db2.gz PNDJKNYQLWGBDL-NKWVEPMBSA-N -1 0 315.305 -0.345 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1=CCCC1 ZINC001375169547 989466443 /nfs/dbraw/zinc/46/64/43/989466443.db2.gz HVOBEUXJIOKHOE-JTQLQIEISA-N -1 0 323.353 -0.189 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001536984568 1015483042 /nfs/dbraw/zinc/48/30/42/1015483042.db2.gz CARSBZLFUGMRBD-UHFFFAOYSA-N -1 0 305.290 -0.253 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@H]2CCN2CC(N)=O)cc1=O ZINC001375319321 989552798 /nfs/dbraw/zinc/55/27/98/989552798.db2.gz CICKZESXSYWUKX-GFCCVEGCSA-N -1 0 323.397 -0.949 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001375370212 989578507 /nfs/dbraw/zinc/57/85/07/989578507.db2.gz WDYFLUVRQTWQDH-VIFPVBQESA-N -1 0 305.342 -0.525 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCCN1C(=O)C1CCC1 ZINC001375441874 989605337 /nfs/dbraw/zinc/60/53/37/989605337.db2.gz NEHHGXUPRUZZCN-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCNC(=O)CC1 ZINC001375454033 989609617 /nfs/dbraw/zinc/60/96/17/989609617.db2.gz KYDQTRPPNKSQNY-SECBINFHSA-N -1 0 322.369 -0.835 20 0 DBADRM CO[C@H](C(=O)NCC1(NCc2nc(=O)n(C)[nH]2)CC1)C(C)C ZINC001375481616 989620535 /nfs/dbraw/zinc/62/05/35/989620535.db2.gz UCBGDGXZIRALEI-NSHDSACASA-N -1 0 311.386 -0.482 20 0 DBADRM CCCC(=O)NC[C@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001375516146 989637588 /nfs/dbraw/zinc/63/75/88/989637588.db2.gz JCKUBEBIUCJIQN-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM Cc1nccc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001375550480 989656078 /nfs/dbraw/zinc/65/60/78/989656078.db2.gz FRCKBVWMFHICRT-UHFFFAOYSA-N -1 0 303.326 -0.339 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(CC(=O)NCC3CC3)C2)c1[O-] ZINC001375668873 989732588 /nfs/dbraw/zinc/73/25/88/989732588.db2.gz UVAZJVSJXFPXJA-UHFFFAOYSA-N -1 0 321.381 -0.294 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375713523 989765989 /nfs/dbraw/zinc/76/59/89/989765989.db2.gz WZRUFDJQTKPIOV-SNVBAGLBSA-N -1 0 310.358 -0.932 20 0 DBADRM CNC(=O)CCCC(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375817260 989810148 /nfs/dbraw/zinc/81/01/48/989810148.db2.gz FDYJAFVXESUCJL-CQSZACIVSA-N -1 0 324.385 -0.493 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001376014085 989843137 /nfs/dbraw/zinc/84/31/37/989843137.db2.gz WPQLGLXTZVPHBQ-MAWWSGROSA-N -1 0 321.381 -0.391 20 0 DBADRM CC(C)[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001376049894 989857160 /nfs/dbraw/zinc/85/71/60/989857160.db2.gz VSWDYEJYEXMBTA-HLTSFMKQSA-N -1 0 323.353 -0.191 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3ccccn3)C2)c1[O-] ZINC001376168770 989929938 /nfs/dbraw/zinc/92/99/38/989929938.db2.gz QBZFICAAGAJYER-UHFFFAOYSA-N -1 0 317.349 -0.205 20 0 DBADRM C[C@H]1CC[C@@H](CC(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001376231264 989968509 /nfs/dbraw/zinc/96/85/09/989968509.db2.gz XLULRQVQVZQVTB-WDEREUQCSA-N -1 0 323.397 -0.001 20 0 DBADRM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cnn(CCO)c1 ZINC001540585303 1015523814 /nfs/dbraw/zinc/52/38/14/1015523814.db2.gz FLQKDUIKFQWUMI-UHFFFAOYSA-N -1 0 321.337 -0.225 20 0 DBADRM CCN(C(=O)Cc1cc(=O)n(CC(C)C)[n-]1)[C@H]1CC(=O)NC1=O ZINC001542442221 1015531929 /nfs/dbraw/zinc/53/19/29/1015531929.db2.gz MTITYHMPQPIYIX-NSHDSACASA-N -1 0 322.365 -0.362 20 0 DBADRM O=C(N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccco1 ZINC001376459587 990076875 /nfs/dbraw/zinc/07/68/75/990076875.db2.gz ZVIKHBCNNCNXOS-CQSZACIVSA-N -1 0 321.337 -0.140 20 0 DBADRM CCOC(=O)[C@]1(C)CN(C(=O)NCCOCC(=O)[O-])CCO1 ZINC001596552907 1017156607 /nfs/dbraw/zinc/15/66/07/1017156607.db2.gz SNKSWZQFNFRQRU-ZDUSSCGKSA-N -1 0 318.326 -0.549 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001376754201 990305532 /nfs/dbraw/zinc/30/55/32/990305532.db2.gz IEWCYLPIJDNZAI-SSDOTTSWSA-N -1 0 311.342 -0.863 20 0 DBADRM CC(C)n1cnc(C(=O)NC[C@@H](C)NCc2nc(=O)n(C)[nH]2)c1 ZINC001376789259 990319885 /nfs/dbraw/zinc/31/98/85/990319885.db2.gz STJCTWNXJZVCHI-SNVBAGLBSA-N -1 0 321.385 -0.206 20 0 DBADRM CCOC(=O)[C@]1(C)CN(C(=O)NC[C@H](F)C(=O)[O-])CCO1 ZINC001596550661 1017156734 /nfs/dbraw/zinc/15/67/34/1017156734.db2.gz CNLGANLOTVSHEL-UFBFGSQYSA-N -1 0 306.290 -0.227 20 0 DBADRM C[C@@H](CNC(=O)CCn1cccc1)NCc1nc(=O)n(C)[nH]1 ZINC001376838969 990341394 /nfs/dbraw/zinc/34/13/94/990341394.db2.gz RSCWAQBHCFBEGJ-NSHDSACASA-N -1 0 306.370 -0.406 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)NCc2nc(=O)o[n-]2)c(F)c1 ZINC001546053373 1015556840 /nfs/dbraw/zinc/55/68/40/1015556840.db2.gz ZYYSOFJFZNHRNI-UHFFFAOYSA-N -1 0 319.256 -0.284 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)Cc2cncn2C)c1[O-] ZINC001376862102 990357028 /nfs/dbraw/zinc/35/70/28/990357028.db2.gz GWCBWHITAZOQRM-MRVPVSSYSA-N -1 0 320.353 -0.366 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC1(C)C ZINC001376879102 990365261 /nfs/dbraw/zinc/36/52/61/990365261.db2.gz YREJPASYOVJHRY-RNFRBKRXSA-N -1 0 309.326 -0.437 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1CC[C@H]1C(N)=O)Cc1n[nH]c(=O)[n-]1 ZINC001376966837 990403027 /nfs/dbraw/zinc/40/30/27/990403027.db2.gz QZAQHNRMTWXWBE-ZJUUUORDSA-N -1 0 324.385 -0.698 20 0 DBADRM CN(CCNC(=O)c1cnc(N(C)C)cn1)Cc1n[nH]c(=O)[n-]1 ZINC001377149547 990458649 /nfs/dbraw/zinc/45/86/49/990458649.db2.gz GVSWMKMHEJXDNM-UHFFFAOYSA-N -1 0 320.357 -0.772 20 0 DBADRM CN(C)Cc1cc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001377181994 990474059 /nfs/dbraw/zinc/47/40/59/990474059.db2.gz QXGLXXTZUOXCAN-UHFFFAOYSA-N -1 0 323.357 -0.578 20 0 DBADRM C[C@H](CNC(=O)CCCF)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001377194659 990479106 /nfs/dbraw/zinc/47/91/06/990479106.db2.gz SZSRMAZERLAFQD-ZCFIWIBFSA-N -1 0 301.278 -0.733 20 0 DBADRM CN(CCNC(=O)c1cccc(=O)n1C)Cc1n[nH]c(=O)[n-]1 ZINC001377216062 990488346 /nfs/dbraw/zinc/48/83/46/990488346.db2.gz QMXWAZOWFLYRJT-UHFFFAOYSA-N -1 0 306.326 -0.929 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCc2n[nH]cc2C1)Cc1n[nH]c(=O)[n-]1 ZINC001377251177 990503629 /nfs/dbraw/zinc/50/36/29/990503629.db2.gz PGTKLVISGWYZBW-SECBINFHSA-N -1 0 319.369 -0.414 20 0 DBADRM CCN(CCNC(=O)[C@H]1CCCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001377311971 990528519 /nfs/dbraw/zinc/52/85/19/990528519.db2.gz UIYCVEBYQJSGEW-SECBINFHSA-N -1 0 310.358 -0.883 20 0 DBADRM CCN(CCNC(=O)c1ccc2oc(=O)nc-2[n-]1)[C@@H](C)C(N)=O ZINC001377361107 990547226 /nfs/dbraw/zinc/54/72/26/990547226.db2.gz DBKIAVXLGQJFMM-QMMMGPOBSA-N -1 0 321.337 -0.146 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001377431666 990591826 /nfs/dbraw/zinc/59/18/26/990591826.db2.gz NCGKAHRYUBKBGX-POYBYMJQSA-N -1 0 311.342 -0.817 20 0 DBADRM Cn1ccc(CC(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001377447053 990603518 /nfs/dbraw/zinc/60/35/18/990603518.db2.gz XBMPIAXCUSRYIU-SNVBAGLBSA-N -1 0 319.369 -0.575 20 0 DBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC[C@@H](c3nnn[n-]3)C1)CS2 ZINC001548499696 1015576580 /nfs/dbraw/zinc/57/65/80/1015576580.db2.gz OTZXQDBLWNCOPD-KKFJDGPESA-N -1 0 322.394 -0.030 20 0 DBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC[C@H](c3nnn[n-]3)C1)CS2 ZINC001548499698 1015577129 /nfs/dbraw/zinc/57/71/29/1015577129.db2.gz OTZXQDBLWNCOPD-RWEMILLDSA-N -1 0 322.394 -0.030 20 0 DBADRM CCOC(=O)[C@]1(C)CN(Cc2cn(CC(=O)[O-])nn2)CCO1 ZINC001596550666 1017157229 /nfs/dbraw/zinc/15/72/29/1017157229.db2.gz CQEHLYJIHAGHAC-ZDUSSCGKSA-N -1 0 312.326 -0.483 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1(C)CCC1 ZINC001377885669 990774176 /nfs/dbraw/zinc/77/41/76/990774176.db2.gz IPAVRZPZMYRUHX-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM O=C(CCc1cncnc1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001377900514 990784230 /nfs/dbraw/zinc/78/42/30/990784230.db2.gz ZNDWODBPFXLZAO-UHFFFAOYSA-N -1 0 303.326 -0.767 20 0 DBADRM C[C@@H](CNC(=O)c1ncccc1O)NC(=O)CCn1cnnn1 ZINC001377940454 990804668 /nfs/dbraw/zinc/80/46/68/990804668.db2.gz JHAHMVAMAKVDHI-VIFPVBQESA-N -1 0 319.325 -0.902 20 0 DBADRM COc1cc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001378046340 990836675 /nfs/dbraw/zinc/83/66/75/990836675.db2.gz WWPUZLBACDZPCT-QMMMGPOBSA-N -1 0 321.341 -0.441 20 0 DBADRM CC(F)(F)C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001378189711 990878506 /nfs/dbraw/zinc/87/85/06/990878506.db2.gz DENLIIDMVTUULB-ZCFIWIBFSA-N -1 0 319.268 -0.938 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001378312328 990926852 /nfs/dbraw/zinc/92/68/52/990926852.db2.gz PIVHAZQLKAYUMP-WPRPVWTQSA-N -1 0 323.353 -0.721 20 0 DBADRM CC1(C(=O)NC[C@@H]2CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001378372291 990952785 /nfs/dbraw/zinc/95/27/85/990952785.db2.gz MDDFHTZKAYJTFP-ZETCQYMHSA-N -1 0 307.310 -0.586 20 0 DBADRM Cc1cncn1CC(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378532412 991018877 /nfs/dbraw/zinc/01/88/77/991018877.db2.gz GRCAJDGYCIAISU-JTQLQIEISA-N -1 0 319.369 -0.348 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)Cc2c[nH]cn2)c1[O-] ZINC001378565131 991039240 /nfs/dbraw/zinc/03/92/40/991039240.db2.gz LHXSTSGGYKPRMU-JTQLQIEISA-N -1 0 318.337 -0.280 20 0 DBADRM COC[C@@H](C)CC(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001378725231 991129023 /nfs/dbraw/zinc/12/90/23/991129023.db2.gz FXGLFLYIBGWVOF-FIQHERPVSA-N -1 0 323.397 -0.023 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNCc2cnn(C)n2)c1[O-] ZINC001378761094 991153332 /nfs/dbraw/zinc/15/33/32/991153332.db2.gz UMJDADBZSQQSSJ-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM CC[C@H](F)C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001378984779 991263107 /nfs/dbraw/zinc/26/31/07/991263107.db2.gz GIOBIDXLWQNYSU-ZETCQYMHSA-N -1 0 315.305 -0.798 20 0 DBADRM Cc1cnn(CC(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)c1 ZINC001379026520 991289669 /nfs/dbraw/zinc/28/96/69/991289669.db2.gz WGZSVVIZHHGMMH-UHFFFAOYSA-N -1 0 307.358 -0.394 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)CC(=O)NCC2CC2)c1[O-] ZINC001379032665 991294277 /nfs/dbraw/zinc/29/42/77/991294277.db2.gz AEEXQUQTLMTVLA-UHFFFAOYSA-N -1 0 323.397 -0.046 20 0 DBADRM Cc1cn(C)nc1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001379045422 991301146 /nfs/dbraw/zinc/30/11/46/991301146.db2.gz SHPAMNYEKDGUDD-UHFFFAOYSA-N -1 0 307.358 -0.244 20 0 DBADRM CCOC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001596526622 1017158313 /nfs/dbraw/zinc/15/83/13/1017158313.db2.gz PPWJHHDXEWZMHJ-ZETCQYMHSA-N -1 0 304.324 -0.047 20 0 DBADRM CCc1nocc1CN[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001379407543 991641089 /nfs/dbraw/zinc/64/10/89/991641089.db2.gz ZRFCVCMJHRUQBS-SNVBAGLBSA-N -1 0 323.353 -0.145 20 0 DBADRM Cc1ccncc1CC(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001379411451 991643340 /nfs/dbraw/zinc/64/33/40/991643340.db2.gz NSONWAADTSMAEN-NSHDSACASA-N -1 0 320.353 -0.977 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN[C@@H](C)c2nnnn2C)c1[O-] ZINC001379496199 991727890 /nfs/dbraw/zinc/72/78/90/991727890.db2.gz SFTMTDDNDQCQKE-XPUUQOCRSA-N -1 0 308.346 -0.584 20 0 DBADRM COc1nc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)co1 ZINC001379712157 991861577 /nfs/dbraw/zinc/86/15/77/991861577.db2.gz NGZXAAYBCIKJQW-SSDOTTSWSA-N -1 0 310.314 -0.243 20 0 DBADRM C[C@@H](CN(C)Cc1cnn(C)c1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001379711897 991862890 /nfs/dbraw/zinc/86/28/90/991862890.db2.gz QYPGHBFKVHBANE-QMMMGPOBSA-N -1 0 321.341 -0.733 20 0 DBADRM C[C@H](CN(C)Cc1ccn(C)n1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001379783601 991910477 /nfs/dbraw/zinc/91/04/77/991910477.db2.gz HFHYNHSQZUQOHN-SECBINFHSA-N -1 0 323.357 -0.941 20 0 DBADRM O=C([C@@H]1COCCN1CC(F)F)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001548764096 1015670149 /nfs/dbraw/zinc/67/01/49/1015670149.db2.gz DTSYKHMTKFOAIE-BDAKNGLRSA-N -1 0 316.312 -0.519 20 0 DBADRM O=C(N1CC[C@H](c2nnn[n-]2)C1)C1(N2CCOCC2)CCC1 ZINC001548762756 1015670372 /nfs/dbraw/zinc/67/03/72/1015670372.db2.gz DOLLSAXNRPEDSU-NSHDSACASA-N -1 0 306.370 -0.230 20 0 DBADRM COC(=O)[C@H]1C[C@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001380067245 992120309 /nfs/dbraw/zinc/12/03/09/992120309.db2.gz MKVXGNMWIATLFE-SFYZADRCSA-N -1 0 309.326 -0.942 20 0 DBADRM CCn1ncc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001380089979 992131144 /nfs/dbraw/zinc/13/11/44/992131144.db2.gz TZXWMVWJSRWNMI-UHFFFAOYSA-N -1 0 306.330 -0.826 20 0 DBADRM CCOC(=O)CC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001596586832 1017160225 /nfs/dbraw/zinc/16/02/25/1017160225.db2.gz KOFBMRDNIQGJKB-UHFFFAOYSA-N -1 0 307.324 -0.912 20 0 DBADRM CCn1cc(O[C@H]2COC[C@H]2NC(=O)c2n[nH]c(=O)[n-]2)cn1 ZINC001548990144 1015688674 /nfs/dbraw/zinc/68/86/74/1015688674.db2.gz ZDFLXZCCPAPMOA-BDAKNGLRSA-N -1 0 308.298 -0.697 20 0 DBADRM O=C(COc1cccnc1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001380153173 992179326 /nfs/dbraw/zinc/17/93/26/992179326.db2.gz VFLBWPXIHFTAHW-UHFFFAOYSA-N -1 0 318.337 -0.277 20 0 DBADRM CCn1cc(O[C@H]2COC[C@@H]2NC(=O)c2n[nH]c(=O)[n-]2)cn1 ZINC001548990154 1015690355 /nfs/dbraw/zinc/69/03/55/1015690355.db2.gz ZDFLXZCCPAPMOA-IUCAKERBSA-N -1 0 308.298 -0.697 20 0 DBADRM CN(C(=O)CCn1ccnc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380235910 992208710 /nfs/dbraw/zinc/20/87/10/992208710.db2.gz MRJCMVROYUIHHZ-UHFFFAOYSA-N -1 0 305.342 -0.560 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)NC(=O)C(C)(C)F ZINC001380361228 992277538 /nfs/dbraw/zinc/27/75/38/992277538.db2.gz SCEWUHSDQHUETD-WDSKDSINSA-N -1 0 315.305 -0.346 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)NC(=O)C(C)(C)F ZINC001380361227 992278769 /nfs/dbraw/zinc/27/87/69/992278769.db2.gz SCEWUHSDQHUETD-RITPCOANSA-N -1 0 315.305 -0.346 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NC(=O)c2cnnn2C)c1[O-] ZINC001380439948 992317140 /nfs/dbraw/zinc/31/71/40/992317140.db2.gz VBNTVTKWAGEJFI-NKWVEPMBSA-N -1 0 321.341 -0.511 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C[C@@H]3CC[C@@H](C)O3)C2)c1[O-] ZINC001380589317 992420611 /nfs/dbraw/zinc/42/06/11/992420611.db2.gz XFZKDPXPSCOHEK-KOLCDFICSA-N -1 0 324.381 -0.232 20 0 DBADRM CC1(C)CC[C@@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380611852 992436638 /nfs/dbraw/zinc/43/66/38/992436638.db2.gz FMYKHOWALAFQMZ-SECBINFHSA-N -1 0 309.370 -0.391 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CCn1ccccc1=O)C2 ZINC001549218647 1015710936 /nfs/dbraw/zinc/71/09/36/1015710936.db2.gz CDLKNIUBHKZCLY-NHYWBVRUSA-N -1 0 306.318 -0.202 20 0 DBADRM CO[C@H](C(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1)c1cnn(C)c1 ZINC001549227302 1015712200 /nfs/dbraw/zinc/71/22/00/1015712200.db2.gz APEYYOASHCKNPP-SUNKGSAMSA-N -1 0 309.322 -0.333 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)CCNC(=O)c1ccco1)C2 ZINC001549228029 1015713216 /nfs/dbraw/zinc/71/32/16/1015713216.db2.gz CTSXEVGNFGIVHM-BMIGLBTASA-N -1 0 322.317 -0.041 20 0 DBADRM CCn1nc(C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)ccc1=O ZINC001549223831 1015713228 /nfs/dbraw/zinc/71/32/28/1015713228.db2.gz PMPYDJKPXFQIMU-OTYXRUKQSA-N -1 0 307.306 -0.564 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CCNC(=O)c1ccco1)C2 ZINC001549228030 1015713348 /nfs/dbraw/zinc/71/33/48/1015713348.db2.gz CTSXEVGNFGIVHM-BONVTDFDSA-N -1 0 322.317 -0.041 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1oc(C(=O)[O-])cc1C ZINC001596619661 1017162553 /nfs/dbraw/zinc/16/25/53/1017162553.db2.gz BOPZJZYZHKPJHB-UHFFFAOYSA-N -1 0 312.278 -0.223 20 0 DBADRM Cn1nccc1[C@@H]1[C@@H](NC(=O)[C@@H](C(=O)[O-])C2CC2)CC(=O)N1C ZINC001549303244 1015719892 /nfs/dbraw/zinc/71/98/92/1015719892.db2.gz IUMWAWGWECAFDA-XDTLVQLUSA-N -1 0 320.349 -0.081 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC001549303844 1015719991 /nfs/dbraw/zinc/71/99/91/1015719991.db2.gz RZODLWNXIRGBKM-PSEJXSGSSA-N -1 0 324.337 -0.702 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001596607350 1017162634 /nfs/dbraw/zinc/16/26/34/1017162634.db2.gz LTANQSQQRVLJSM-MWLCHTKSSA-N -1 0 323.367 -0.261 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1ccn3nnnc3c1)C2 ZINC001549305480 1015721356 /nfs/dbraw/zinc/72/13/56/1015721356.db2.gz JHMJDCKMSSBPCQ-ZANVPECISA-N -1 0 303.278 -0.703 20 0 DBADRM O=C(CC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1)NCC(F)(F)F ZINC001549306045 1015722441 /nfs/dbraw/zinc/72/24/41/1015722441.db2.gz OIRSTXUPLGADGQ-HQJQHLMTSA-N -1 0 324.255 -0.385 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)Cc1nc3ncccn3n1)C2 ZINC001549306114 1015722478 /nfs/dbraw/zinc/72/24/78/1015722478.db2.gz PIVKWRRNIWSBLE-LKFCYVNXSA-N -1 0 317.305 -0.774 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)c1ccc3nnnn3c1)C2 ZINC001549306019 1015722489 /nfs/dbraw/zinc/72/24/89/1015722489.db2.gz NXJPUHYTYXTTAK-RNCFNFMXSA-N -1 0 303.278 -0.703 20 0 DBADRM CC(C)CC(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001381034503 992636925 /nfs/dbraw/zinc/63/69/25/992636925.db2.gz IZYMUNSZVBDPBJ-AWEZNQCLSA-N -1 0 311.386 -0.001 20 0 DBADRM CCOC(=O)CCCNC(=O)CN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001596604091 1017162646 /nfs/dbraw/zinc/16/26/46/1017162646.db2.gz XYCPJZOXTVHKEQ-MNOVXSKESA-N -1 0 316.354 -0.380 20 0 DBADRM CC(C)C(=O)N1CC([C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001381207624 992710669 /nfs/dbraw/zinc/71/06/69/992710669.db2.gz BPYPVOCWCLCPTQ-MRVPVSSYSA-N -1 0 311.342 -0.692 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381522541 992826137 /nfs/dbraw/zinc/82/61/37/992826137.db2.gz ATAXHXKOGQDKOF-BDAKNGLRSA-N -1 0 312.374 -0.639 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)n1cncn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381791290 992882284 /nfs/dbraw/zinc/88/22/84/992882284.db2.gz LQTKBSBNDKFKHY-BDAKNGLRSA-N -1 0 320.357 -0.701 20 0 DBADRM C[C@H](NC(=O)[C@H](C)n1cncn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381791300 992882910 /nfs/dbraw/zinc/88/29/10/992882910.db2.gz LQTKBSBNDKFKHY-IUCAKERBSA-N -1 0 320.357 -0.701 20 0 DBADRM C[C@H](NC(=O)Cc1c[nH]cn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381810966 992887634 /nfs/dbraw/zinc/88/76/34/992887634.db2.gz XJUFLYPOMFLMBZ-QMMMGPOBSA-N -1 0 305.342 -0.587 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)Cc2nc[nH]n2)c1[O-] ZINC001381951540 992933875 /nfs/dbraw/zinc/93/38/75/992933875.db2.gz YZTUFKSRVWBZFA-SSDOTTSWSA-N -1 0 321.341 -0.639 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CCC1 ZINC001382123350 992996447 /nfs/dbraw/zinc/99/64/47/992996447.db2.gz PZUWASKMLVOQNU-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM CSCC(=O)N[C@H](C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001382139587 993002714 /nfs/dbraw/zinc/00/27/14/993002714.db2.gz LFJZBPKDFNAGGM-SSDOTTSWSA-N -1 0 317.371 -0.985 20 0 DBADRM Cc1ncsc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001382191665 993035729 /nfs/dbraw/zinc/03/57/29/993035729.db2.gz YKOSSVBUVXAHHU-ZETCQYMHSA-N -1 0 312.355 -0.844 20 0 DBADRM CCc1cnc(CN[C@@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001382198320 993044525 /nfs/dbraw/zinc/04/45/25/993044525.db2.gz KXIPMHNVXDTOJC-SECBINFHSA-N -1 0 323.353 -0.145 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2nccc(C)n2)c1[O-] ZINC001382200803 993048859 /nfs/dbraw/zinc/04/88/59/993048859.db2.gz SIXMFZQGAHYSEN-SNVBAGLBSA-N -1 0 320.353 -0.597 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN(C)[C@@H](COC(C)C)C(=O)[O-] ZINC001596616009 1017163082 /nfs/dbraw/zinc/16/30/82/1017163082.db2.gz KACHREYATFXWFW-NSHDSACASA-N -1 0 318.370 -0.182 20 0 DBADRM Cn1nccc1[C@H]1OCC[C@H]1NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001549716611 1015760681 /nfs/dbraw/zinc/76/06/81/1015760681.db2.gz RPQNCASDRLZOEP-MFKMUULPSA-N -1 0 319.321 -0.039 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)CC(C)(F)F)c1[O-] ZINC001382388902 993196488 /nfs/dbraw/zinc/19/64/88/993196488.db2.gz HLCSCTWXTBDCDS-SSDOTTSWSA-N -1 0 320.296 -0.324 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)[C@@H]1CC12CC2 ZINC001382468910 993300992 /nfs/dbraw/zinc/30/09/92/993300992.db2.gz KSLOMVGSDJTPPQ-ZJUUUORDSA-N -1 0 309.370 -0.439 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)[C@@H]1CC12CC2 ZINC001382468904 993301335 /nfs/dbraw/zinc/30/13/35/993301335.db2.gz KSLOMVGSDJTPPQ-UWVGGRQHSA-N -1 0 309.370 -0.439 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001382694045 993400811 /nfs/dbraw/zinc/40/08/11/993400811.db2.gz CYKXFVYZEBEWBW-VXNVDRBHSA-N -1 0 309.326 -0.659 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001382693909 993401199 /nfs/dbraw/zinc/40/11/99/993401199.db2.gz CYKXFVYZEBEWBW-IONNQARKSA-N -1 0 309.326 -0.659 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001382693902 993401466 /nfs/dbraw/zinc/40/14/66/993401466.db2.gz CYKXFVYZEBEWBW-CBAPKCEASA-N -1 0 309.326 -0.659 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)Cn2cncn2)c1[O-] ZINC001382765753 993418262 /nfs/dbraw/zinc/41/82/62/993418262.db2.gz NILFSGWOVAQNBE-SFYZADRCSA-N -1 0 321.341 -0.662 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NC(=O)Cn2cncn2)c1[O-] ZINC001382765756 993418503 /nfs/dbraw/zinc/41/85/03/993418503.db2.gz NILFSGWOVAQNBE-YUMQZZPRSA-N -1 0 321.341 -0.662 20 0 DBADRM CC(=O)N(C)C[C@H](O)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001382890509 993437087 /nfs/dbraw/zinc/43/70/87/993437087.db2.gz ZCHCAYRTZMEFTQ-MRVPVSSYSA-N -1 0 308.294 -0.503 20 0 DBADRM C[C@@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C1CC1 ZINC001383019746 993496310 /nfs/dbraw/zinc/49/63/10/993496310.db2.gz IAEYOXQXIVOKAC-QMMMGPOBSA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)CC1CC1 ZINC001383057718 993517450 /nfs/dbraw/zinc/51/74/50/993517450.db2.gz UROBJYKZKIQJMP-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)N[C@@H]1CCC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001383428076 993649520 /nfs/dbraw/zinc/64/95/20/993649520.db2.gz ZRYVWZYNUNQPTP-ZJUUUORDSA-N -1 0 323.353 -0.221 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1C[C@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC001550342896 1015802535 /nfs/dbraw/zinc/80/25/35/1015802535.db2.gz DXIQGBBAWTWDHY-AXFHLTTASA-N -1 0 314.338 -0.961 20 0 DBADRM O=C([O-])[C@@H]1Cn2cnnc2CN1C(=O)[C@@H]1OC[C@H]2CCC[C@@H]12 ZINC001550338675 1015802563 /nfs/dbraw/zinc/80/25/63/1015802563.db2.gz AWVFKXVNNAQJPK-MWGHHZFTSA-N -1 0 306.322 -0.111 20 0 DBADRM O=C([O-])[C@@H]1Cn2cnnc2CN1C(=O)[C@@H]1OC[C@H]2CCC[C@H]12 ZINC001550338669 1015803037 /nfs/dbraw/zinc/80/30/37/1015803037.db2.gz AWVFKXVNNAQJPK-FYLLDIAZSA-N -1 0 306.322 -0.111 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N2C[C@H](C(=O)[O-])[C@@H](C3CC3)C2)cn1 ZINC001550373437 1015803905 /nfs/dbraw/zinc/80/39/05/1015803905.db2.gz SEXIOVOEAZAIHH-AGIUHOORSA-N -1 0 307.350 -0.107 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@@H](NS(=O)(=O)N3CCOCC3)[C@@H]2C1 ZINC001551391841 1015819595 /nfs/dbraw/zinc/81/95/95/1015819595.db2.gz JGMOUWDJGCQLBP-GWOFURMSSA-N -1 0 304.368 -0.348 20 0 DBADRM CCOC(=O)c1cn(C)nc1NC(=O)NC[C@@H](O)CC(=O)[O-] ZINC001596732398 1017167582 /nfs/dbraw/zinc/16/75/82/1017167582.db2.gz IFKPRNYVEBYDDS-ZETCQYMHSA-N -1 0 314.298 -0.446 20 0 DBADRM CCCC[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001384236421 994049926 /nfs/dbraw/zinc/04/99/26/994049926.db2.gz WUGCUSXXJHWFOW-JLLWLGSASA-N -1 0 309.370 -0.068 20 0 DBADRM CCOC(=O)c1noc(CN2[C@@H](C(=O)[O-])CCS2(=O)=O)n1 ZINC001596755095 1017167670 /nfs/dbraw/zinc/16/76/70/1017167670.db2.gz IUXHQIIUHCPHBF-ZCFIWIBFSA-N -1 0 319.295 -0.765 20 0 DBADRM COC[C@@H](C)[C@@H](C)C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400464675 994162398 /nfs/dbraw/zinc/16/23/98/994162398.db2.gz JNAYHEVKFVHFMV-NXEZZACHSA-N -1 0 311.386 -0.023 20 0 DBADRM CC1(C(=O)NC[C@H]2CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001400462434 994163122 /nfs/dbraw/zinc/16/31/22/994163122.db2.gz KPQIVXTZQXLVTN-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM CC1(C(=O)NC[C@@H]2CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001400462445 994164398 /nfs/dbraw/zinc/16/43/98/994164398.db2.gz KPQIVXTZQXLVTN-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM CCN(CCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001493018985 1015839890 /nfs/dbraw/zinc/83/98/90/1015839890.db2.gz HVIRLFIWODMOLY-UWVGGRQHSA-N -1 0 324.385 -0.637 20 0 DBADRM CCN(C(=O)c1cnc([O-])n(C)c1=O)[C@H](C)CNC(=O)C1CC1 ZINC001384580315 994193234 /nfs/dbraw/zinc/19/32/34/994193234.db2.gz PYXJLKMSJGTXPK-SECBINFHSA-N -1 0 322.365 -0.137 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1cc(C)on1 ZINC001493048826 1015842376 /nfs/dbraw/zinc/84/23/76/1015842376.db2.gz HNRUFBBAPOKBSW-UHFFFAOYSA-N -1 0 324.341 -0.376 20 0 DBADRM CC(=O)NCC1(CCNC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001384666428 994211094 /nfs/dbraw/zinc/21/10/94/994211094.db2.gz BMMZCOGRSPXBFO-UHFFFAOYSA-N -1 0 323.353 -0.362 20 0 DBADRM CC1(C(=O)NC2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)CCC1 ZINC001400644957 994272162 /nfs/dbraw/zinc/27/21/62/994272162.db2.gz OZPMUHNTDIOFLN-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM O=C(CCn1ccnn1)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001493098719 1015849239 /nfs/dbraw/zinc/84/92/39/1015849239.db2.gz WZVHRJBGFDVVFO-JTQLQIEISA-N -1 0 320.357 -0.727 20 0 DBADRM CCC1(Cn2cc(C(=O)NCc3nc(=O)o[n-]3)nn2)COC1 ZINC001552226752 1015849973 /nfs/dbraw/zinc/84/99/73/1015849973.db2.gz YUNVFRPAUZQEEA-UHFFFAOYSA-N -1 0 308.298 -0.689 20 0 DBADRM CCCC(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001384920885 994312233 /nfs/dbraw/zinc/31/22/33/994312233.db2.gz DKTIXXGQSPVAQQ-OCAPTIKFSA-N -1 0 309.326 -0.293 20 0 DBADRM CN(C(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C2CC2)C1 ZINC001400756162 994335184 /nfs/dbraw/zinc/33/51/84/994335184.db2.gz MUJAADKOGUPGBM-UHFFFAOYSA-N -1 0 321.337 -0.705 20 0 DBADRM CCN(C(=O)Cc1nnc[nH]1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400763204 994338112 /nfs/dbraw/zinc/33/81/12/994338112.db2.gz JCBZBTVVOWURIG-SECBINFHSA-N -1 0 320.357 -0.706 20 0 DBADRM C[C@H]1CN(C(=O)NCCC(=O)[O-])C[C@H]1C(=O)N1CCOCC1 ZINC001552372110 1015856910 /nfs/dbraw/zinc/85/69/10/1015856910.db2.gz RDNRWIRYNVREML-WDEREUQCSA-N -1 0 313.354 -0.403 20 0 DBADRM CCn1nc(C)c(CNC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001552396842 1015857472 /nfs/dbraw/zinc/85/74/72/1015857472.db2.gz BUUWTNWNZQTMNY-YGRLFVJLSA-N -1 0 323.353 -0.151 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001552398196 1015857486 /nfs/dbraw/zinc/85/74/86/1015857486.db2.gz GJFCRTHASIGQOA-GBIKHYSHSA-N -1 0 309.326 -0.591 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)o1 ZINC001552397412 1015857550 /nfs/dbraw/zinc/85/75/50/1015857550.db2.gz CQVLGWZZCHXYML-RMLUDKJBSA-N -1 0 323.305 -0.379 20 0 DBADRM NC(=O)c1cc(CNC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)on1 ZINC001552397450 1015857595 /nfs/dbraw/zinc/85/75/95/1015857595.db2.gz DDSVTDZRICOMBF-UHLUBPPHSA-N -1 0 324.293 -0.984 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552398195 1015857700 /nfs/dbraw/zinc/85/77/00/1015857700.db2.gz GJFCRTHASIGQOA-BREBYQMCSA-N -1 0 309.326 -0.591 20 0 DBADRM CN1C[C@H](CNC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)CC1=O ZINC001552398340 1015857822 /nfs/dbraw/zinc/85/78/22/1015857822.db2.gz IQFBSHRHJKDJGT-PKFCDNJMSA-N -1 0 311.338 -0.793 20 0 DBADRM Cn1cc(CCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cn1 ZINC001552404158 1015857863 /nfs/dbraw/zinc/85/78/63/1015857863.db2.gz USNNTEYFDVVOKD-FZMZJTMJSA-N -1 0 308.338 -0.295 20 0 DBADRM CCn1cc(CNC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)nn1 ZINC001552398364 1015857931 /nfs/dbraw/zinc/85/79/31/1015857931.db2.gz IXMWZBLQBZAFBH-RNCFNFMXSA-N -1 0 309.326 -0.459 20 0 DBADRM CCn1cc(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)nn1 ZINC001552398374 1015858087 /nfs/dbraw/zinc/85/80/87/1015858087.db2.gz IXMWZBLQBZAFBH-ZANVPECISA-N -1 0 309.326 -0.459 20 0 DBADRM CCC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001385334601 994458427 /nfs/dbraw/zinc/45/84/27/994458427.db2.gz FELZOGOCVHMOHX-SECBINFHSA-N -1 0 321.337 -0.961 20 0 DBADRM CC(=O)NCC(=O)NC1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001385355875 994469467 /nfs/dbraw/zinc/46/94/67/994469467.db2.gz YSKQCARYPJQRAE-UHFFFAOYSA-N -1 0 323.353 -0.719 20 0 DBADRM C[C@H](CNCc1cscn1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001401235457 994491060 /nfs/dbraw/zinc/49/10/60/994491060.db2.gz PMNFCFSLSZVNJF-SSDOTTSWSA-N -1 0 324.366 -0.010 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)NCCc1cncnc1)C2 ZINC001552655335 1015866271 /nfs/dbraw/zinc/86/62/71/1015866271.db2.gz RQBSYNTVKFRYED-RISCZKNCSA-N -1 0 306.322 -0.238 20 0 DBADRM CN1CCC[C@H](NC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)C1=O ZINC001552654281 1015866788 /nfs/dbraw/zinc/86/67/88/1015866788.db2.gz DARRXWNJQGSUQK-PKFCDNJMSA-N -1 0 311.338 -0.650 20 0 DBADRM CCN1CC[C@H](NC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)C1=O ZINC001552778733 1015867441 /nfs/dbraw/zinc/86/74/41/1015867441.db2.gz BUEXNUDNNASQCS-BFVZDQMLSA-N -1 0 311.338 -0.650 20 0 DBADRM CC[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001385546511 994526521 /nfs/dbraw/zinc/52/65/21/994526521.db2.gz DGDHJXVTNSOQNM-YUMQZZPRSA-N -1 0 309.326 -0.340 20 0 DBADRM Cc1cnn(C)c1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001401391805 994556789 /nfs/dbraw/zinc/55/67/89/994556789.db2.gz VEOIBJKFXADHHD-UHFFFAOYSA-N -1 0 307.358 -0.244 20 0 DBADRM O=C(N[C@H](CNC(=O)C1CCC1)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001385671070 994589359 /nfs/dbraw/zinc/58/93/59/994589359.db2.gz SADFFYDAIJSESP-SECBINFHSA-N -1 0 321.337 -0.293 20 0 DBADRM CCOC1CC(CCNC(=O)C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001596803051 1017169947 /nfs/dbraw/zinc/16/99/47/1017169947.db2.gz AFAKOTCWMAGRBM-RTBKNWGFSA-N -1 0 304.318 -0.153 20 0 DBADRM CCCCC(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001385714169 994607496 /nfs/dbraw/zinc/60/74/96/994607496.db2.gz JQJSIQWHSCPLRK-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001385756420 994623136 /nfs/dbraw/zinc/62/31/36/994623136.db2.gz PSCHOOIRAZFNPZ-XVYDVKMFSA-N -1 0 321.337 -0.437 20 0 DBADRM CCC(=O)NC[C@@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001385803035 994634473 /nfs/dbraw/zinc/63/44/73/994634473.db2.gz VGMSGBWGNFJOPU-SNVBAGLBSA-N -1 0 323.353 -0.364 20 0 DBADRM Cc1cnc(CNC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001401661416 994736558 /nfs/dbraw/zinc/73/65/58/994736558.db2.gz SJNNOAZBRROZKA-SSDOTTSWSA-N -1 0 310.314 -0.720 20 0 DBADRM CCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001386109104 994750019 /nfs/dbraw/zinc/75/00/19/994750019.db2.gz FKEIGMGKSJJWPK-GDGBQDQQSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1nnc(CC(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)o1 ZINC001401750350 994799009 /nfs/dbraw/zinc/79/90/09/994799009.db2.gz MOGMROHVQVKQPN-SSDOTTSWSA-N -1 0 309.330 -0.619 20 0 DBADRM CCC[C@H](C)C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001386199898 994800345 /nfs/dbraw/zinc/80/03/45/994800345.db2.gz IXFWLISRYWDUNF-DTWKUNHWSA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2ncn(C)n2)c1[O-] ZINC001386231620 994815606 /nfs/dbraw/zinc/81/56/06/994815606.db2.gz XNVGZWAMBLTYCI-ZCFIWIBFSA-N -1 0 307.314 -0.899 20 0 DBADRM C[C@@H](CN(C)Cc1ccnn1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001401798658 994816275 /nfs/dbraw/zinc/81/62/75/994816275.db2.gz NHRKFZPIPUFYTP-VIFPVBQESA-N -1 0 323.357 -0.941 20 0 DBADRM CCn1cc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001401806578 994818080 /nfs/dbraw/zinc/81/80/80/994818080.db2.gz NZCBSRKNSGEIPI-MRVPVSSYSA-N -1 0 308.346 -0.628 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2ncn(C)n2)c1[O-] ZINC001386250918 994828833 /nfs/dbraw/zinc/82/88/33/994828833.db2.gz MJUMTDWPSYYEPS-LURJTMIESA-N -1 0 307.314 -0.899 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@@H]1CCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC001401859170 994832477 /nfs/dbraw/zinc/83/24/77/994832477.db2.gz CSFIOCJOXICMHO-JQWIXIFHSA-N -1 0 319.365 -0.252 20 0 DBADRM Cc1cnn(CC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)c1 ZINC001401876172 994837206 /nfs/dbraw/zinc/83/72/06/994837206.db2.gz WLPLVNGRMUETBB-JTQLQIEISA-N -1 0 305.342 -0.594 20 0 DBADRM CCOCC(=O)N[C@@H](C)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001386270609 994838429 /nfs/dbraw/zinc/83/84/29/994838429.db2.gz IQCCHPDQSMRSJS-VIFPVBQESA-N -1 0 321.337 -0.706 20 0 DBADRM CN(CC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)C1CC1 ZINC001401883209 994839791 /nfs/dbraw/zinc/83/97/91/994839791.db2.gz OZSYMLJWWBZWHX-JTQLQIEISA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C(=O)CCCn1cccn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402032624 994888756 /nfs/dbraw/zinc/88/87/56/994888756.db2.gz IKWYWTFDEGWOIO-UHFFFAOYSA-N -1 0 319.369 -0.170 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)c1ccccc1 ZINC001386403161 994889107 /nfs/dbraw/zinc/88/91/07/994889107.db2.gz NCOAYMOCKSBNLP-QMMMGPOBSA-N -1 0 317.305 -0.169 20 0 DBADRM Cc1c[nH]nc1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001493371209 1015903392 /nfs/dbraw/zinc/90/33/92/1015903392.db2.gz VOHHEAOMIBLLOL-UHFFFAOYSA-N -1 0 305.342 -0.064 20 0 DBADRM C[C@]1(NC(=O)CNC(=O)C2CC2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402121116 994928904 /nfs/dbraw/zinc/92/89/04/994928904.db2.gz AAZVCBQJJIVXSI-AWEZNQCLSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@@]1(NC(=O)CNC(=O)C2CC2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402121127 994929598 /nfs/dbraw/zinc/92/95/98/994929598.db2.gz AAZVCBQJJIVXSI-CQSZACIVSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@]1(NC(=O)CCn2cncn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402131306 994937485 /nfs/dbraw/zinc/93/74/85/994937485.db2.gz JJSKNKINVOGCMS-ZDUSSCGKSA-N -1 0 320.357 -0.727 20 0 DBADRM CC(C)CC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001386561268 994966015 /nfs/dbraw/zinc/96/60/15/994966015.db2.gz AYNBFJWIBQWXBB-VIFPVBQESA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@](O)(CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001402177227 994970175 /nfs/dbraw/zinc/97/01/75/994970175.db2.gz SGULWQBDVNDUNL-HZMBPMFUSA-N -1 0 309.370 -0.248 20 0 DBADRM CC(C)(C)CC(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402257455 995007254 /nfs/dbraw/zinc/00/72/54/995007254.db2.gz NTJUENLPVCGGST-AWEZNQCLSA-N -1 0 311.386 -0.001 20 0 DBADRM C[C@@H](CNC(=O)C1=CCCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386715611 995044579 /nfs/dbraw/zinc/04/45/79/995044579.db2.gz FRXNHOAUXVMSMU-ZETCQYMHSA-N -1 0 307.310 -0.372 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@@H]1CCCNC1=O ZINC001556207604 1015914375 /nfs/dbraw/zinc/91/43/75/1015914375.db2.gz IQNPTWWDOBLGLA-SNVBAGLBSA-N -1 0 302.294 -0.167 20 0 DBADRM CC[C@@H](CN1CC(O)(CNC(=O)c2c(C)nc[nH]c2=O)C1)OC ZINC001402349474 995097681 /nfs/dbraw/zinc/09/76/81/995097681.db2.gz IBXVRENGUOQAOP-NSHDSACASA-N -1 0 324.381 -0.308 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001556244446 1015916270 /nfs/dbraw/zinc/91/62/70/1015916270.db2.gz GCBIYVNBPHOBBD-ZJUUUORDSA-N -1 0 304.343 -0.044 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001402353107 995100704 /nfs/dbraw/zinc/10/07/04/995100704.db2.gz GBWHUXQQLJZSKB-NXEZZACHSA-N -1 0 309.370 -0.391 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386816832 995106492 /nfs/dbraw/zinc/10/64/92/995106492.db2.gz FLJAMEAXLNQBRE-CNUIFLNQSA-N -1 0 321.337 -0.437 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386816831 995106705 /nfs/dbraw/zinc/10/67/05/995106705.db2.gz FLJAMEAXLNQBRE-BWVDBABLSA-N -1 0 321.337 -0.437 20 0 DBADRM Cc1cncn1CC(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001386855334 995133553 /nfs/dbraw/zinc/13/35/53/995133553.db2.gz XKEYXWWASYKQGX-UHFFFAOYSA-N -1 0 320.353 -0.183 20 0 DBADRM C[C@@H](C(=O)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001402446879 995141675 /nfs/dbraw/zinc/14/16/75/995141675.db2.gz HQUSDRKLBDMPCA-BMIGLBTASA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(c1nccn2ccnc12)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001556348627 1015919947 /nfs/dbraw/zinc/91/99/47/1015919947.db2.gz TUECXYRZKKMTDJ-UHFFFAOYSA-N -1 0 314.309 -0.634 20 0 DBADRM O=C(c1ccnc2ccnn21)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001556348409 1015920469 /nfs/dbraw/zinc/92/04/69/1015920469.db2.gz KDJFLHGQVKUAHD-UHFFFAOYSA-N -1 0 314.309 -0.634 20 0 DBADRM O=C(C1CC1)C1(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CC1 ZINC001556348663 1015920597 /nfs/dbraw/zinc/92/05/97/1015920597.db2.gz VABUPOOECIIIFH-UHFFFAOYSA-N -1 0 305.338 -0.231 20 0 DBADRM CCC(C)(C)C(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387004781 995211329 /nfs/dbraw/zinc/21/13/29/995211329.db2.gz BHQXSUKMICDVRZ-QMMMGPOBSA-N -1 0 313.358 -0.254 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1(C)CCC1 ZINC001387012633 995214871 /nfs/dbraw/zinc/21/48/71/995214871.db2.gz CGSVNDGBVVTXNW-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)N(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001387014821 995214950 /nfs/dbraw/zinc/21/49/50/995214950.db2.gz ODQXIKPGFGXSHQ-DTWKUNHWSA-N -1 0 323.353 -0.093 20 0 DBADRM CC[C@H](C)CC(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387028076 995220880 /nfs/dbraw/zinc/22/08/80/995220880.db2.gz IAWUOGVIUBIKGJ-VIFPVBQESA-N -1 0 313.358 -0.300 20 0 DBADRM CN(CCCN(C)C(=O)c1cnnn1C)Cc1n[nH]c(=O)[n-]1 ZINC001402629320 995224615 /nfs/dbraw/zinc/22/46/15/995224615.db2.gz AVZXRKYPWPDRCC-UHFFFAOYSA-N -1 0 308.346 -0.767 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001493428284 1015928614 /nfs/dbraw/zinc/92/86/14/1015928614.db2.gz XBIGROCCGOJQJA-UHFFFAOYSA-N -1 0 324.385 -0.494 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)c1cnon1 ZINC001387185044 995285116 /nfs/dbraw/zinc/28/51/16/995285116.db2.gz UXFZQBYSLRAZSH-UHFFFAOYSA-N -1 0 308.298 -0.301 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)[N-]O[C@H](CO)C(C)C ZINC001556736356 1015931445 /nfs/dbraw/zinc/93/14/45/1015931445.db2.gz DDHGINNOGYTAJU-WDEREUQCSA-N -1 0 317.386 -0.543 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)[N-]O[C@H](CO)C(C)C ZINC001556736353 1015933198 /nfs/dbraw/zinc/93/31/98/1015933198.db2.gz DDHGINNOGYTAJU-GHMZBOCLSA-N -1 0 317.386 -0.543 20 0 DBADRM CC(=O)N1CCC[C@@H](N(C)C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001387320460 995322785 /nfs/dbraw/zinc/32/27/85/995322785.db2.gz XRTDABFHUUMKTL-SNVBAGLBSA-N -1 0 323.353 -0.315 20 0 DBADRM CC(=O)N1CCC[C@H](N(C)C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001387320449 995323428 /nfs/dbraw/zinc/32/34/28/995323428.db2.gz XRTDABFHUUMKTL-JTQLQIEISA-N -1 0 323.353 -0.315 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001402905142 995333429 /nfs/dbraw/zinc/33/34/29/995333429.db2.gz PNBDAJXUSHQWJN-KOLCDFICSA-N -1 0 324.385 -0.542 20 0 DBADRM C[C@@H](CNC(=O)Cc1cnn(C)c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403095671 995404790 /nfs/dbraw/zinc/40/47/90/995404790.db2.gz CSPNYRFGXPIREK-VIFPVBQESA-N -1 0 307.358 -0.577 20 0 DBADRM Cc1cc(CN[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001403095198 995405548 /nfs/dbraw/zinc/40/55/48/995405548.db2.gz LTYJDKKJIYYTOZ-SSDOTTSWSA-N -1 0 310.314 -0.720 20 0 DBADRM Cc1cnn(C)c1C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001387681191 995421714 /nfs/dbraw/zinc/42/17/14/995421714.db2.gz JKYBDGKFOAKGHW-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM CC(C)CCC(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001387686372 995423159 /nfs/dbraw/zinc/42/31/59/995423159.db2.gz MIGAVVOXWWPPLQ-UHFFFAOYSA-N -1 0 322.365 -0.137 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2cncnc2)c1[O-] ZINC001387688548 995424879 /nfs/dbraw/zinc/42/48/79/995424879.db2.gz BJVNEUKLNQNBTB-UHFFFAOYSA-N -1 0 304.310 -0.284 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)c1cccnc1 ZINC001403194954 995445558 /nfs/dbraw/zinc/44/55/58/995445558.db2.gz AYFNIIJHVIJVOI-UHFFFAOYSA-N -1 0 318.337 -0.728 20 0 DBADRM O=C(NC1(CCO)CN(CCO)C1)c1ccc2oc(=O)nc-2[n-]1 ZINC001403234355 995463489 /nfs/dbraw/zinc/46/34/89/995463489.db2.gz GADGBWNGWLYNNU-UHFFFAOYSA-N -1 0 322.321 -0.913 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001387750460 995466642 /nfs/dbraw/zinc/46/66/42/995466642.db2.gz XGGVFIBOMHHROO-VHSXEESVSA-N -1 0 317.349 -0.133 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC001557204775 1015949074 /nfs/dbraw/zinc/94/90/74/1015949074.db2.gz KIFFHMNKWWVKLA-ZDUSSCGKSA-N -1 0 323.309 -0.958 20 0 DBADRM CSCCC(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387953360 995553914 /nfs/dbraw/zinc/55/39/14/995553914.db2.gz WOQSDQZMZSCDPN-UHFFFAOYSA-N -1 0 317.371 -0.983 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@]12C[C@H]1CCC2 ZINC001387952183 995554433 /nfs/dbraw/zinc/55/44/33/995554433.db2.gz JRJIPCWXEUKGHU-YMTOWFKASA-N -1 0 323.353 -0.546 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001387953683 995556836 /nfs/dbraw/zinc/55/68/36/995556836.db2.gz AUJQKYOUUAQPFC-NXEZZACHSA-N -1 0 317.349 -0.133 20 0 DBADRM CC[C@H](CNC(=O)[C@@H](C)CC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388030994 995584041 /nfs/dbraw/zinc/58/40/41/995584041.db2.gz HVNJMJZHNOBCNT-DTWKUNHWSA-N -1 0 313.358 -0.254 20 0 DBADRM CN(CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O)Cc1ccon1 ZINC001403609643 995595442 /nfs/dbraw/zinc/59/54/42/995595442.db2.gz MQLXCLUQWKYSGC-UHFFFAOYSA-N -1 0 322.325 -0.548 20 0 DBADRM O=C(Cc1cccs1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001403644579 995612219 /nfs/dbraw/zinc/61/22/19/995612219.db2.gz UBGSHBFVYPOFEG-QMMMGPOBSA-N -1 0 311.367 -0.619 20 0 DBADRM CC(C)C(=O)N[C@@](C)(CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001388254616 995645213 /nfs/dbraw/zinc/64/52/13/995645213.db2.gz NTTZKZYMPWTUCH-AWEZNQCLSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H](CNC(=O)CCC1CC1)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001388410631 995681051 /nfs/dbraw/zinc/68/10/51/995681051.db2.gz CCGWHLOBEIOJIN-QMMMGPOBSA-N -1 0 323.353 -0.045 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)CCC(F)(F)F ZINC001403750035 995689886 /nfs/dbraw/zinc/68/98/86/995689886.db2.gz KQHWLEWXUUHEHH-UHFFFAOYSA-N -1 0 311.264 -0.310 20 0 DBADRM CCN(CCNC(=O)[C@H]1CC12CC2)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388464070 995696230 /nfs/dbraw/zinc/69/62/30/995696230.db2.gz YFNKBWTWEVYNIR-SECBINFHSA-N -1 0 323.353 -0.546 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388505199 995705702 /nfs/dbraw/zinc/70/57/02/995705702.db2.gz GXYWDCROXFUNCO-SFYZADRCSA-N -1 0 317.321 -0.694 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)C(C)(F)F ZINC001403870833 995745062 /nfs/dbraw/zinc/74/50/62/995745062.db2.gz HVTGLZALXJHGAU-ZETCQYMHSA-N -1 0 307.301 -0.583 20 0 DBADRM Cc1nocc1C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001403901843 995763412 /nfs/dbraw/zinc/76/34/12/995763412.db2.gz DZEPFJTUYUSRDQ-VIFPVBQESA-N -1 0 324.341 -0.628 20 0 DBADRM CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)c1nc[nH]n1 ZINC001403933663 995781364 /nfs/dbraw/zinc/78/13/64/995781364.db2.gz FGSFVPOWWZYQEZ-UHFFFAOYSA-N -1 0 308.346 -0.389 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCCN1Cc1ccon1 ZINC001404020587 995803782 /nfs/dbraw/zinc/80/37/82/995803782.db2.gz MTMJLZHBFLYSIH-SNVBAGLBSA-N -1 0 322.325 -0.542 20 0 DBADRM CO[C@@H](C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001404056663 995809875 /nfs/dbraw/zinc/80/98/75/995809875.db2.gz DFXIJOWRIPUFEA-JOYOIKCWSA-N -1 0 309.370 -0.127 20 0 DBADRM CCCN(CCNC(=O)c1c[nH]c(=O)cn1)Cc1n[nH]c(=O)[n-]1 ZINC001404141893 995825812 /nfs/dbraw/zinc/82/58/12/995825812.db2.gz AAUYSAXQOTZNKH-UHFFFAOYSA-N -1 0 321.341 -0.764 20 0 DBADRM COCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001404149527 995826833 /nfs/dbraw/zinc/82/68/33/995826833.db2.gz YTDMXRGZNFOGMJ-DTWKUNHWSA-N -1 0 321.337 -0.708 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001389084448 995837488 /nfs/dbraw/zinc/83/74/88/995837488.db2.gz MPJXLZSXIBRRLF-KXUCPTDWSA-N -1 0 310.354 -0.323 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)C2(C)CCC2)c1[O-] ZINC001389087646 995840193 /nfs/dbraw/zinc/84/01/93/995840193.db2.gz QMLKVZLLWZWXSU-VIFPVBQESA-N -1 0 310.354 -0.179 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)C2(C)CCC2)c1[O-] ZINC001389087641 995840363 /nfs/dbraw/zinc/84/03/63/995840363.db2.gz QMLKVZLLWZWXSU-SECBINFHSA-N -1 0 310.354 -0.179 20 0 DBADRM C[C@@H](CNC(=O)C1CCC1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001404267623 995843251 /nfs/dbraw/zinc/84/32/51/995843251.db2.gz DVMKDZVZJPQTFM-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(C)(C)CC(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389125357 995863946 /nfs/dbraw/zinc/86/39/46/995863946.db2.gz GCEOJWBNYGUIDK-UHFFFAOYSA-N -1 0 309.326 -0.340 20 0 DBADRM CCCN(C(=O)c1nc[nH]n1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404426132 995870574 /nfs/dbraw/zinc/87/05/74/995870574.db2.gz GWPAZYHOXBCBET-VIFPVBQESA-N -1 0 320.357 -0.245 20 0 DBADRM CC(=O)N1CC(C(=O)N[C@H](C)CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001389169883 995882345 /nfs/dbraw/zinc/88/23/45/995882345.db2.gz BBOGHUXTQCXETE-SSDOTTSWSA-N -1 0 323.353 -0.863 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1(C2CC2)CC1 ZINC001389208809 995896001 /nfs/dbraw/zinc/89/60/01/995896001.db2.gz OTWHCQDTMXPCFM-MRVPVSSYSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC1(C)CC1 ZINC001389233462 995904780 /nfs/dbraw/zinc/90/47/80/995904780.db2.gz RPQOIGUZEIDFIK-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@@H]1CC12CC2 ZINC001389289606 995922873 /nfs/dbraw/zinc/92/28/73/995922873.db2.gz UPYCUJWPEBCHJP-SCZZXKLOSA-N -1 0 320.349 -0.480 20 0 DBADRM CC[C@H](C)CC(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389322472 995935965 /nfs/dbraw/zinc/93/59/65/995935965.db2.gz CIQFBOAZUFDLAJ-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)Cc2cnoc2)c1[O-] ZINC001389330814 995939689 /nfs/dbraw/zinc/93/96/89/995939689.db2.gz JZMAOXPMVSLQOK-ZETCQYMHSA-N -1 0 307.310 -0.111 20 0 DBADRM CC(C)[C@@H](F)C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389360822 995953148 /nfs/dbraw/zinc/95/31/48/995953148.db2.gz HHGDRYZPYFWBDC-SSDOTTSWSA-N -1 0 313.289 -0.783 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001389459621 995996312 /nfs/dbraw/zinc/99/63/12/995996312.db2.gz JWMGXNNTUKKTHA-BDAKNGLRSA-N -1 0 310.358 -0.885 20 0 DBADRM CC(C)[C@H](C)C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389472707 996002321 /nfs/dbraw/zinc/00/23/21/996002321.db2.gz JHIFRNIOHDJNIK-ZETCQYMHSA-N -1 0 309.326 -0.485 20 0 DBADRM O=C(CCCn1cncn1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001389493952 996012112 /nfs/dbraw/zinc/01/21/12/996012112.db2.gz DZFMWFDLVMJEBV-JTQLQIEISA-N -1 0 320.357 -0.727 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3cn(C)nn3)CC2)c1[O-] ZINC001389835848 996115651 /nfs/dbraw/zinc/11/56/51/996115651.db2.gz PVMYMBVJWIOULG-UHFFFAOYSA-N -1 0 319.325 -0.755 20 0 DBADRM CCOC1CC2(C[C@@H]2C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])C1 ZINC001596847582 1017173942 /nfs/dbraw/zinc/17/39/42/1017173942.db2.gz WWUZNFLVFWKAHG-YJVGMPMCSA-N -1 0 310.350 -0.055 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@H](CC)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001390242512 996209710 /nfs/dbraw/zinc/20/97/10/996209710.db2.gz VNMWRPQLFGRFRV-SFYZADRCSA-N -1 0 311.342 -0.047 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001596873262 1017174950 /nfs/dbraw/zinc/17/49/50/1017174950.db2.gz YRLITNFUBDTHLA-ZJUUUORDSA-N -1 0 311.342 -0.426 20 0 DBADRM Cc1ccnc(CNCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001493614710 1016012207 /nfs/dbraw/zinc/01/22/07/1016012207.db2.gz JLGYLUGWOBRBON-UHFFFAOYSA-N -1 0 319.325 -0.757 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cn(C)nc1C ZINC001596884298 1017175328 /nfs/dbraw/zinc/17/53/28/1017175328.db2.gz HLKURKWTGFAHLA-SECBINFHSA-N -1 0 305.356 -0.161 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc(N)nc1 ZINC001596885147 1017175413 /nfs/dbraw/zinc/17/54/13/1017175413.db2.gz YLJUSCJFTBNFNM-MRVPVSSYSA-N -1 0 304.328 -0.831 20 0 DBADRM CC[C@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001390599148 996317525 /nfs/dbraw/zinc/31/75/25/996317525.db2.gz YHKJGEJCMLDCLD-IWSPIJDZSA-N -1 0 311.342 -0.644 20 0 DBADRM Cc1oncc1CN(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001390780393 996368061 /nfs/dbraw/zinc/36/80/61/996368061.db2.gz DHVFPUBTASYCMT-UHFFFAOYSA-N -1 0 308.298 -0.559 20 0 DBADRM Cc1nc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)co1 ZINC001390780700 996369965 /nfs/dbraw/zinc/36/99/65/996369965.db2.gz DYWSVWCAKOZFIG-UHFFFAOYSA-N -1 0 308.298 -0.559 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCn2cncc2C1)Cc1n[nH]c(=O)[n-]1 ZINC001390783956 996371099 /nfs/dbraw/zinc/37/10/99/996371099.db2.gz SUARZAHVDTWAQK-SNVBAGLBSA-N -1 0 319.369 -0.483 20 0 DBADRM CCC(=O)N[C@@](C)(CNC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001390782667 996372118 /nfs/dbraw/zinc/37/21/18/996372118.db2.gz CVQKBPJGYQYTSP-HNNXBMFYSA-N -1 0 322.365 -0.089 20 0 DBADRM CN(CCNC(=O)c1cnc2n1CCCC2)Cc1n[nH]c(=O)[n-]1 ZINC001390817019 996381975 /nfs/dbraw/zinc/38/19/75/996381975.db2.gz WQENCEKKFUPLAR-UHFFFAOYSA-N -1 0 319.369 -0.095 20 0 DBADRM CCOc1cc(C(=O)NCCN(CC)Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001390922486 996410617 /nfs/dbraw/zinc/41/06/17/996410617.db2.gz XOFQDNCURCBZPQ-UHFFFAOYSA-N -1 0 323.357 -0.116 20 0 DBADRM CCN(CCNC(=O)CCc1nccn1C)Cc1n[nH]c(=O)[n-]1 ZINC001390951618 996414429 /nfs/dbraw/zinc/41/44/29/996414429.db2.gz FUMMJFLQSWKURL-UHFFFAOYSA-N -1 0 321.385 -0.185 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc(N)nc1 ZINC001596885149 1017175529 /nfs/dbraw/zinc/17/55/29/1017175529.db2.gz YLJUSCJFTBNFNM-QMMMGPOBSA-N -1 0 304.328 -0.831 20 0 DBADRM CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])Cc1nnnn1C ZINC001391125729 996462859 /nfs/dbraw/zinc/46/28/59/996462859.db2.gz KZEDONUAGZEFFM-UHFFFAOYSA-N -1 0 322.373 -0.411 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)CNC(=O)C1CC1 ZINC001391133781 996463986 /nfs/dbraw/zinc/46/39/86/996463986.db2.gz DFOLLBIPQZRAPW-QMMMGPOBSA-N -1 0 308.338 -0.622 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)[C@]12C[C@H]1COC2 ZINC001391162921 996473435 /nfs/dbraw/zinc/47/34/35/996473435.db2.gz VYRJUXXCNGDLPC-XPTSAGLGSA-N -1 0 307.354 -0.373 20 0 DBADRM Cc1ccnn1CC(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001391190854 996482971 /nfs/dbraw/zinc/48/29/71/996482971.db2.gz PDEIVANPVFKPGY-UHFFFAOYSA-N -1 0 319.369 -0.204 20 0 DBADRM Cc1nonc1CC(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001391188969 996483419 /nfs/dbraw/zinc/48/34/19/996483419.db2.gz YZEPXQPYSNMNOR-UHFFFAOYSA-N -1 0 321.341 -0.475 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC001391208030 996488993 /nfs/dbraw/zinc/48/89/93/996488993.db2.gz ZGEJBBGDSZWHNU-VXNVDRBHSA-N -1 0 323.353 -0.816 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)NCc2nnc3n2CCOC3)C1 ZINC001593790211 996505731 /nfs/dbraw/zinc/50/57/31/996505731.db2.gz TUBXCXDAVQFFDI-CYBMUJFWSA-N -1 0 309.326 -0.186 20 0 DBADRM CC(C)C(=O)N(C)CCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001391331517 996516828 /nfs/dbraw/zinc/51/68/28/996516828.db2.gz PAGQMBWMCPTOMD-UHFFFAOYSA-N -1 0 310.402 -0.258 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(Cc2nc(CS(C)(=O)=O)no2)C1 ZINC001593797973 996517644 /nfs/dbraw/zinc/51/76/44/996517644.db2.gz SOAUWWOIEIBNEQ-NSHDSACASA-N -1 0 303.340 -0.089 20 0 DBADRM CC(C)C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC1 ZINC001391378647 996527980 /nfs/dbraw/zinc/52/79/80/996527980.db2.gz SUPMGVUVSFMOGJ-VIFPVBQESA-N -1 0 323.353 -0.047 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)[C@H]1CC(=O)N(CC)C1 ZINC001596884970 1017176072 /nfs/dbraw/zinc/17/60/72/1017176072.db2.gz VLNRLQGGCNDTCA-VHSXEESVSA-N -1 0 322.383 -0.642 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)CCCF ZINC001391872549 996645404 /nfs/dbraw/zinc/64/54/04/996645404.db2.gz WWXQVXQDZYAVOI-UHFFFAOYSA-N -1 0 315.305 -0.437 20 0 DBADRM O=C(Cn1cccn1)NC[C@H]1CCC[C@@H]1NC(=O)c1cn[nH]n1 ZINC001391953348 996663359 /nfs/dbraw/zinc/66/33/59/996663359.db2.gz QGYAYYXIOFWIDN-MNOVXSKESA-N -1 0 317.353 -0.284 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001596872256 1017176211 /nfs/dbraw/zinc/17/62/11/1017176211.db2.gz FKZKFKZLUOOQQZ-UWVGGRQHSA-N -1 0 322.383 -0.353 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)Cc2ccon2)c1[O-] ZINC001392267533 996768509 /nfs/dbraw/zinc/76/85/09/996768509.db2.gz HMMAIUUBWWEEBB-SSDOTTSWSA-N -1 0 307.310 -0.111 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)CC(=O)NC(C)C)c1[O-] ZINC001392270632 996771776 /nfs/dbraw/zinc/77/17/76/996771776.db2.gz KOJVIOPWAAQGDI-UHFFFAOYSA-N -1 0 311.386 -0.048 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)Cc1cn(-c2ccn(C)n2)nn1 ZINC001596883423 1017176381 /nfs/dbraw/zinc/17/63/81/1017176381.db2.gz CSAYTIWGULZQGN-NSHDSACASA-N -1 0 308.342 -0.078 20 0 DBADRM CC[C@H](C)C(=O)N[C@H](C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001404631969 996831437 /nfs/dbraw/zinc/83/14/37/996831437.db2.gz LEWJJTKNXIOJRQ-JGVFFNPUSA-N -1 0 323.353 -0.094 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001599075749 996858783 /nfs/dbraw/zinc/85/87/83/996858783.db2.gz SANBQLJMRKJZAZ-HNNXBMFYSA-N -1 0 322.317 -0.134 20 0 DBADRM CC1(C)CN(C(=O)CN2CCC(O)(C(=O)[O-])CC2)CCO1 ZINC001593928515 996873233 /nfs/dbraw/zinc/87/32/33/996873233.db2.gz DYHPBKQHLAHWHP-UHFFFAOYSA-N -1 0 300.355 -0.465 20 0 DBADRM O=C(CCc1ncccn1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404934666 996909967 /nfs/dbraw/zinc/90/99/67/996909967.db2.gz UKCIGTJULYEMJB-UHFFFAOYSA-N -1 0 317.353 -0.519 20 0 DBADRM C[C@H](CNC(=O)CCC1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001392513033 996985705 /nfs/dbraw/zinc/98/57/05/996985705.db2.gz ZZESVXQBIBZAMJ-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM O=C(CCCn1cccn1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001405083829 996990437 /nfs/dbraw/zinc/99/04/37/996990437.db2.gz MZIJWFWODVHSEW-LLVKDONJSA-N -1 0 319.369 -0.122 20 0 DBADRM C[C@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001392520763 996993719 /nfs/dbraw/zinc/99/37/19/996993719.db2.gz UMVKSAUQOGCMIW-NXEZZACHSA-N -1 0 321.385 -0.283 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)c2cnn(C)n2)c1[O-] ZINC001405109558 997004461 /nfs/dbraw/zinc/00/44/61/997004461.db2.gz SEDZOMJGSBERCF-SSDOTTSWSA-N -1 0 321.341 -0.557 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)Cc1ccn(C)n1 ZINC001392634572 997102647 /nfs/dbraw/zinc/10/26/47/997102647.db2.gz AIFZTAHGSNONLB-VIFPVBQESA-N -1 0 307.358 -0.577 20 0 DBADRM COCC(=O)N[C@@H](C)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001392647340 997111828 /nfs/dbraw/zinc/11/18/28/997111828.db2.gz FZLMCCBCYYOZGR-ZETCQYMHSA-N -1 0 308.294 -0.191 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1ccn(C)n1 ZINC001392660114 997119339 /nfs/dbraw/zinc/11/93/39/997119339.db2.gz XXPQUUDICIXHMU-SNVBAGLBSA-N -1 0 321.385 -0.187 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)c1ccsc1 ZINC001392666489 997127760 /nfs/dbraw/zinc/12/77/60/997127760.db2.gz MDTOUYUJQUQNMI-LURJTMIESA-N -1 0 323.334 -0.107 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1nccn1C ZINC001392674125 997132180 /nfs/dbraw/zinc/13/21/80/997132180.db2.gz UBNVJTCSRFAOQX-JTQLQIEISA-N -1 0 321.385 -0.187 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])O1 ZINC001593972519 997142736 /nfs/dbraw/zinc/14/27/36/997142736.db2.gz ATSRGWBQYXJFDL-OPRDCNLKSA-N -1 0 302.327 -0.073 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1csc(=O)[nH]1 ZINC001392694791 997148982 /nfs/dbraw/zinc/14/89/82/997148982.db2.gz PQTXTERFFXWPFD-ZCFIWIBFSA-N -1 0 312.355 -0.077 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2ccnnc2)c1[O-] ZINC001392750293 997182801 /nfs/dbraw/zinc/18/28/01/997182801.db2.gz PAULTTVYQHOWOX-ZETCQYMHSA-N -1 0 304.310 -0.238 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)CC2(O)CCC2)c1[O-] ZINC001392751447 997182907 /nfs/dbraw/zinc/18/29/07/997182907.db2.gz SYGFBYOVSKAGOH-QMMMGPOBSA-N -1 0 310.354 -0.037 20 0 DBADRM CCCC(=O)N[C@@H](CO)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001405316904 997186119 /nfs/dbraw/zinc/18/61/19/997186119.db2.gz DGWRPCVNUNXVIB-MRVPVSSYSA-N -1 0 322.321 -0.065 20 0 DBADRM COC[C@]1(C(=O)OC)CCCN1CCC(=O)NCC(=O)[O-] ZINC001599194640 997192431 /nfs/dbraw/zinc/19/24/31/997192431.db2.gz LMRDGEXSNBHORU-ZDUSSCGKSA-N -1 0 302.327 -0.769 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001493967371 1016100927 /nfs/dbraw/zinc/10/09/27/1016100927.db2.gz PUVBXBZSVBSZEG-HGNGGELXSA-N -1 0 323.353 -0.675 20 0 DBADRM CCc1c[nH]c(CC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001392836366 997251354 /nfs/dbraw/zinc/25/13/54/997251354.db2.gz LOPUFOZGQSGZFH-SNVBAGLBSA-N -1 0 319.369 -0.271 20 0 DBADRM Cc1conc1CN1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001392881853 997293538 /nfs/dbraw/zinc/29/35/38/997293538.db2.gz XZFPYHXECKOOPN-VIFPVBQESA-N -1 0 322.325 -0.624 20 0 DBADRM CCO[C@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001392992317 997347605 /nfs/dbraw/zinc/34/76/05/997347605.db2.gz AHTJUDXFJHSUFV-LBPRGKRZSA-N -1 0 309.370 -0.032 20 0 DBADRM CC[C@H](F)C(=O)N[C@@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001393007008 997356892 /nfs/dbraw/zinc/35/68/92/997356892.db2.gz IHIZYIHUGLMMHX-CBAPKCEASA-N -1 0 314.317 -0.532 20 0 DBADRM CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1CN(CCO)C1 ZINC001393028950 997373254 /nfs/dbraw/zinc/37/32/54/997373254.db2.gz QXEDXLKLLLVEPW-UHFFFAOYSA-N -1 0 311.304 -0.422 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1=COCCC1 ZINC001393240635 997479549 /nfs/dbraw/zinc/47/95/49/997479549.db2.gz PLRLTUUJSYHDJE-CQSZACIVSA-N -1 0 323.353 -0.742 20 0 DBADRM CCN(C(=O)CCCn1c(=O)[n-][nH]c1=O)[C@H](C)CNC(C)=O ZINC001406032058 997494322 /nfs/dbraw/zinc/49/43/22/997494322.db2.gz OVJXWNOCINUOFU-SECBINFHSA-N -1 0 313.358 -0.157 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001393295562 997549518 /nfs/dbraw/zinc/54/95/18/997549518.db2.gz IOXWVISDLZFPNX-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNCc2csnn2)c1[O-] ZINC001406209971 997574233 /nfs/dbraw/zinc/57/42/33/997574233.db2.gz IWSBLRCXDGUYEI-MRVPVSSYSA-N -1 0 312.355 -0.844 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNCc2csnn2)c1[O-] ZINC001406209990 997574715 /nfs/dbraw/zinc/57/47/15/997574715.db2.gz IWSBLRCXDGUYEI-QMMMGPOBSA-N -1 0 312.355 -0.844 20 0 DBADRM CCOCCN(CC)C(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001596924079 1017179039 /nfs/dbraw/zinc/17/90/39/1017179039.db2.gz GCZHCFYVVKXQJC-CQSZACIVSA-N -1 0 316.354 -0.427 20 0 DBADRM C[C@H](CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001393357747 997617700 /nfs/dbraw/zinc/61/77/00/997617700.db2.gz IKVPCDFSUJIAKM-SECBINFHSA-N -1 0 309.370 -0.391 20 0 DBADRM O=C(Cc1ccc[nH]1)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001393512154 997704882 /nfs/dbraw/zinc/70/48/82/997704882.db2.gz MIKKDKRDDGIHTO-LLVKDONJSA-N -1 0 320.353 -0.602 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1COCCO1)Cc1n[nH]c(=O)[n-]1 ZINC001393606253 997764881 /nfs/dbraw/zinc/76/48/81/997764881.db2.gz JZIRBKOLEIEQKF-SNVBAGLBSA-N -1 0 313.358 -0.794 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)CC2(N(C)C)CC2)[C@H](C(=O)[O-])C1 ZINC001599122889 997773053 /nfs/dbraw/zinc/77/30/53/997773053.db2.gz IBXZWMXKLXRGFD-MNOVXSKESA-N -1 0 320.411 -0.026 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1CC(=O)N(C)C1)Cc1n[nH]c(=O)[n-]1 ZINC001393622300 997775342 /nfs/dbraw/zinc/77/53/42/997775342.db2.gz JKCLQDQPJRLDDJ-JTQLQIEISA-N -1 0 324.385 -0.731 20 0 DBADRM CO[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H](C(=O)[O-])C1 ZINC001599123648 997790962 /nfs/dbraw/zinc/79/09/62/997790962.db2.gz UOSUCQTYFGZQTC-IONNQARKSA-N -1 0 311.294 -0.810 20 0 DBADRM CC(C)(C)C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001393756595 997831839 /nfs/dbraw/zinc/83/18/39/997831839.db2.gz FTQCRYLHISDLRD-UHFFFAOYSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001393865507 997874166 /nfs/dbraw/zinc/87/41/66/997874166.db2.gz ROSDALZSZFXNLZ-JTQLQIEISA-N -1 0 310.358 -0.931 20 0 DBADRM O=C(Cc1cscn1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001406854800 997900090 /nfs/dbraw/zinc/90/00/90/997900090.db2.gz KRDOTCFYSWUOSD-VIFPVBQESA-N -1 0 308.367 -0.100 20 0 DBADRM O=C(CCCn1cncn1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001406879954 997916896 /nfs/dbraw/zinc/91/68/96/997916896.db2.gz MWEVUJNHXAISEC-SNVBAGLBSA-N -1 0 320.357 -0.727 20 0 DBADRM CCn1ncc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001394065810 997955044 /nfs/dbraw/zinc/95/50/44/997955044.db2.gz MPCQMJGPRLAYAS-QMMMGPOBSA-N -1 0 308.346 -0.628 20 0 DBADRM COCCN(CCOC)C1CN(C(=O)[C@@H](C)CC(=O)[O-])C1 ZINC001599237349 997970735 /nfs/dbraw/zinc/97/07/35/997970735.db2.gz VTXFAOJWGMZDLQ-NSHDSACASA-N -1 0 302.371 -0.097 20 0 DBADRM COCCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ncccn1 ZINC001599237596 997972860 /nfs/dbraw/zinc/97/28/60/997972860.db2.gz AGZBYYRFNYXDQY-WDEREUQCSA-N -1 0 308.338 -0.234 20 0 DBADRM Cc1c[nH]cc1C(=O)NCC1(NCc2nc(=O)n(C)[nH]2)CC1 ZINC001407009173 997973405 /nfs/dbraw/zinc/97/34/05/997973405.db2.gz FCBUEOPEFXFQLC-UHFFFAOYSA-N -1 0 304.354 -0.203 20 0 DBADRM COCCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ncccn1 ZINC001599237594 997973307 /nfs/dbraw/zinc/97/33/07/997973307.db2.gz AGZBYYRFNYXDQY-MNOVXSKESA-N -1 0 308.338 -0.234 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001394132321 997996425 /nfs/dbraw/zinc/99/64/25/997996425.db2.gz NLHYGQBZZNUPAH-NXEZZACHSA-N -1 0 324.385 -0.542 20 0 DBADRM CC(C)[C@H](C)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001394158932 998020939 /nfs/dbraw/zinc/02/09/39/998020939.db2.gz QQJUHAAJKQZXAO-JTQLQIEISA-N -1 0 311.386 -0.145 20 0 DBADRM C[C@@]1(NC(=O)Cc2c[nH]cn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407169714 998050305 /nfs/dbraw/zinc/05/03/05/998050305.db2.gz QDYHBRMVOGQGED-CYBMUJFWSA-N -1 0 305.342 -0.443 20 0 DBADRM CCC(=O)NCC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001407351122 998123450 /nfs/dbraw/zinc/12/34/50/998123450.db2.gz CDZDHZYQYBECIG-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM Cc1cocc1C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407352322 998124011 /nfs/dbraw/zinc/12/40/11/998124011.db2.gz AADZEKTZSTYTJH-CQSZACIVSA-N -1 0 321.337 -0.221 20 0 DBADRM CCOCCOCC(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001596935141 1017181609 /nfs/dbraw/zinc/18/16/09/1017181609.db2.gz KNMRJCNFAKBZIH-GHMZBOCLSA-N -1 0 317.338 -0.096 20 0 DBADRM CC[C@H](CN1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1)OC ZINC001407403265 998174659 /nfs/dbraw/zinc/17/46/59/998174659.db2.gz CXUWJDJQMMRIRM-SNVBAGLBSA-N -1 0 312.370 -0.375 20 0 DBADRM CCOCCOC[C@@H](O)CNC(=O)c1cc(C(=O)[O-])no1 ZINC001596933963 1017181668 /nfs/dbraw/zinc/18/16/68/1017181668.db2.gz FJEOERPMCSFNLD-QMMMGPOBSA-N -1 0 302.283 -0.483 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ncccn1 ZINC001394557067 998191330 /nfs/dbraw/zinc/19/13/30/998191330.db2.gz QAMWTKDEMZOSQK-SECBINFHSA-N -1 0 321.341 -0.884 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC12CCC2 ZINC001407426857 998192459 /nfs/dbraw/zinc/19/24/59/998192459.db2.gz BPERFPOUMUHOME-VIFPVBQESA-N -1 0 307.354 -0.637 20 0 DBADRM O=C(CCn1cccc1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407435292 998197292 /nfs/dbraw/zinc/19/72/92/998197292.db2.gz IIFRUMXIXCCZIV-UHFFFAOYSA-N -1 0 320.353 -0.935 20 0 DBADRM O=C(CC(F)(F)F)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001407466702 998215777 /nfs/dbraw/zinc/21/57/77/998215777.db2.gz ORQWJMWLKYPGIS-SSDOTTSWSA-N -1 0 323.275 -0.220 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2cscn2)c1[O-] ZINC001394582911 998236420 /nfs/dbraw/zinc/23/64/20/998236420.db2.gz KMWFMQMYGIFIPH-QMMMGPOBSA-N -1 0 311.367 -0.239 20 0 DBADRM COCCC(=O)N1CCC2(C[C@@H]2NC(=O)c2cn[nH]n2)CC1 ZINC001407549315 998259265 /nfs/dbraw/zinc/25/92/65/998259265.db2.gz DUTWEXWHTQYJIU-NSHDSACASA-N -1 0 307.354 -0.048 20 0 DBADRM COCCC(=O)N1CCC2(C[C@H]2NC(=O)c2cn[nH]n2)CC1 ZINC001407549312 998259518 /nfs/dbraw/zinc/25/95/18/998259518.db2.gz DUTWEXWHTQYJIU-LLVKDONJSA-N -1 0 307.354 -0.048 20 0 DBADRM CCCC(=O)N[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001407679592 998323817 /nfs/dbraw/zinc/32/38/17/998323817.db2.gz YYZVDBDKTGSHSD-VIFPVBQESA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCCN(C)Cc2nnn(C)n2)c1[O-] ZINC001407904953 998422639 /nfs/dbraw/zinc/42/26/39/998422639.db2.gz IGKZCFZOZUWQCY-UHFFFAOYSA-N -1 0 322.373 -0.459 20 0 DBADRM CN(CCCN(C)C(=O)c1cnn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001407935314 998430931 /nfs/dbraw/zinc/43/09/31/998430931.db2.gz NOQWCLPSBLFNED-UHFFFAOYSA-N -1 0 308.346 -0.767 20 0 DBADRM Cc1cnn(CC(=O)NC[C@H](C)NC(=O)c2[nH]nc(C)c2[O-])c1 ZINC001408081897 998485672 /nfs/dbraw/zinc/48/56/72/998485672.db2.gz GVLJYALNANUGDG-VIFPVBQESA-N -1 0 320.353 -0.137 20 0 DBADRM Cc1cnn(CC(=O)NC[C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])c1 ZINC001408081894 998485918 /nfs/dbraw/zinc/48/59/18/998485918.db2.gz GVLJYALNANUGDG-SECBINFHSA-N -1 0 320.353 -0.137 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2cncnc2)c1[O-] ZINC001408121563 998508875 /nfs/dbraw/zinc/50/88/75/998508875.db2.gz XKPHZRLABFGNJC-ZETCQYMHSA-N -1 0 304.310 -0.238 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)C[C@@H]2CCNC2=O)c1[O-] ZINC001408130195 998512075 /nfs/dbraw/zinc/51/20/75/998512075.db2.gz ZYOTUQUGSFXBRB-APPZFPTMSA-N -1 0 323.353 -0.816 20 0 DBADRM COCCN(CCNC(=O)c1cccnc1)Cc1n[nH]c(=O)[n-]1 ZINC001394831477 998514165 /nfs/dbraw/zinc/51/41/65/998514165.db2.gz RJFMSXSCRYJESQ-UHFFFAOYSA-N -1 0 320.353 -0.216 20 0 DBADRM COCCN(CCNC(=O)c1ccc[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001394833582 998517571 /nfs/dbraw/zinc/51/75/71/998517571.db2.gz SFYYULMHOXHPMG-UHFFFAOYSA-N -1 0 308.342 -0.283 20 0 DBADRM C[C@H](CNC(=O)CCCn1cccn1)NC(=O)c1cn[nH]n1 ZINC001408156150 998527749 /nfs/dbraw/zinc/52/77/49/998527749.db2.gz KPIDQQJGOQTBHB-SNVBAGLBSA-N -1 0 305.342 -0.284 20 0 DBADRM C[C@@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)[C@@H](C)NC(=O)C1CC1 ZINC001394926692 998543369 /nfs/dbraw/zinc/54/33/69/998543369.db2.gz HVCSCYVPTHIQIY-HTQZYQBOSA-N -1 0 323.353 -0.365 20 0 DBADRM CCCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001394925788 998543676 /nfs/dbraw/zinc/54/36/76/998543676.db2.gz KJKHGIVWCJLXQR-IUCAKERBSA-N -1 0 310.354 -0.091 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@@H](C)NC(=O)C2=COCCO2)c1[O-] ZINC001408455943 998632768 /nfs/dbraw/zinc/63/27/68/998632768.db2.gz PMOFSUPCZVRUQQ-MRVPVSSYSA-N -1 0 324.337 -0.063 20 0 DBADRM CN(CCNC(=O)C1CCCC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001408510109 998645069 /nfs/dbraw/zinc/64/50/69/998645069.db2.gz STVNMUPTDKDLPO-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)CCn2cncn2)c1[O-] ZINC001408523251 998648775 /nfs/dbraw/zinc/64/87/75/998648775.db2.gz QKGVHGRCZDVOJC-UHFFFAOYSA-N -1 0 321.341 -0.706 20 0 DBADRM CC(C)CC(=O)N[C@H]1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001395404916 998663456 /nfs/dbraw/zinc/66/34/56/998663456.db2.gz FLHJGVQDIRXBAX-KYZUINATSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@H](C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001395628913 998697180 /nfs/dbraw/zinc/69/71/80/998697180.db2.gz JTMSGDUKSJQQOH-JGVFFNPUSA-N -1 0 317.321 -0.600 20 0 DBADRM CC[C@H](F)C(=O)N[C@@H](C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001395628918 998697697 /nfs/dbraw/zinc/69/76/97/998697697.db2.gz JTMSGDUKSJQQOH-YUMQZZPRSA-N -1 0 317.321 -0.600 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1(C)CC1 ZINC001395628254 998697740 /nfs/dbraw/zinc/69/77/40/998697740.db2.gz GFWCVAFVZDTOAW-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@@H](C)C(C)C)c1[O-] ZINC001395816819 998788061 /nfs/dbraw/zinc/78/80/61/998788061.db2.gz ZWSANPQLMISYBE-WPRPVWTQSA-N -1 0 312.370 -0.077 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001395831836 998791086 /nfs/dbraw/zinc/79/10/86/998791086.db2.gz UIEMIARHNQBZET-WPRPVWTQSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(C)CC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001396903699 998918637 /nfs/dbraw/zinc/91/86/37/998918637.db2.gz JNWAHLVRMWFDIP-VIFPVBQESA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)Cn2cccn2)c1[O-] ZINC001397375443 999025037 /nfs/dbraw/zinc/02/50/37/999025037.db2.gz LJHMJWKZXSSSKV-MRVPVSSYSA-N -1 0 306.326 -0.445 20 0 DBADRM C[C@H](CNC(=O)C1(C2CC2)CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397468900 999057820 /nfs/dbraw/zinc/05/78/20/999057820.db2.gz VZSAHJXACWASQM-MRVPVSSYSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001397691448 999112063 /nfs/dbraw/zinc/11/20/63/999112063.db2.gz OREJJNMZTHTKAQ-OPRDCNLKSA-N -1 0 323.353 -0.690 20 0 DBADRM C[C@H](CCNC(=O)C1CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397732212 999117545 /nfs/dbraw/zinc/11/75/45/999117545.db2.gz GVEHISAQJKFLEA-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2ncccn2)c1[O-] ZINC001397895843 999162940 /nfs/dbraw/zinc/16/29/40/999162940.db2.gz QSTTWSYKMJJSHW-UHFFFAOYSA-N -1 0 304.310 -0.284 20 0 DBADRM CC(C)[C@H](F)C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001398004676 999194857 /nfs/dbraw/zinc/19/48/57/999194857.db2.gz RTKGJXLFQYMVBS-ZETCQYMHSA-N -1 0 315.305 -0.535 20 0 DBADRM CC[C@H](C)C(=O)NCCN(CC)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001398074442 999208205 /nfs/dbraw/zinc/20/82/05/999208205.db2.gz XDFXOXBRXAHDQN-QMMMGPOBSA-N -1 0 311.342 -0.093 20 0 DBADRM CC(=O)N1CCC[C@@H]1CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001398174291 999218409 /nfs/dbraw/zinc/21/84/09/999218409.db2.gz RSWLTTUAUFQGAK-SNVBAGLBSA-N -1 0 311.342 -0.403 20 0 DBADRM Cc1cnn(CCC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001494506978 1016298720 /nfs/dbraw/zinc/29/87/20/1016298720.db2.gz HWAMQQNQHDLXNG-UHFFFAOYSA-N -1 0 305.342 -0.594 20 0 DBADRM CC(C)C(=O)N(C)C[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001398493702 999282701 /nfs/dbraw/zinc/28/27/01/999282701.db2.gz MBAFLVTYZJVDFV-SECBINFHSA-N -1 0 323.353 -0.141 20 0 DBADRM CC(C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001398493708 999282716 /nfs/dbraw/zinc/28/27/16/999282716.db2.gz MBAFLVTYZJVDFV-VIFPVBQESA-N -1 0 323.353 -0.141 20 0 DBADRM CC[C@H](C)CC(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001398580219 999305167 /nfs/dbraw/zinc/30/51/67/999305167.db2.gz LZLZRNNITGLSSJ-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)CCn3ccnn3)C2)c1[O-] ZINC001398589400 999308408 /nfs/dbraw/zinc/30/84/08/999308408.db2.gz YHXCEASTFWPIKQ-UHFFFAOYSA-N -1 0 319.325 -0.954 20 0 DBADRM O=C(Cn1cccn1)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001398703069 999340866 /nfs/dbraw/zinc/34/08/66/999340866.db2.gz WWFWRYFTHREEOX-NSHDSACASA-N -1 0 319.369 -0.265 20 0 DBADRM CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001398780471 999355983 /nfs/dbraw/zinc/35/59/83/999355983.db2.gz KNNCOKOSTBFXDT-MWLCHTKSSA-N -1 0 324.385 -0.637 20 0 DBADRM CCC(=O)N(CC)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001398826647 999362613 /nfs/dbraw/zinc/36/26/13/999362613.db2.gz BIGKEWYZRPBFOA-MRVPVSSYSA-N -1 0 309.326 -0.244 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001399341037 999414531 /nfs/dbraw/zinc/41/45/31/999414531.db2.gz HHCJGBADSUJLGY-RKDXNWHRSA-N -1 0 313.358 -0.396 20 0 DBADRM C[C@H](CNC(=O)CCCF)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001399411322 999426389 /nfs/dbraw/zinc/42/63/89/999426389.db2.gz KGRDGWHZKDLBKZ-SSDOTTSWSA-N -1 0 315.305 -0.485 20 0 DBADRM C[C@@H](CNC(=O)CCCF)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001399411326 999426576 /nfs/dbraw/zinc/42/65/76/999426576.db2.gz KGRDGWHZKDLBKZ-ZETCQYMHSA-N -1 0 315.305 -0.485 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)Cc1n[nH]c(=O)[n-]1 ZINC001399502993 999439152 /nfs/dbraw/zinc/43/91/52/999439152.db2.gz LYHHIKUUHXSWAD-RKDXNWHRSA-N -1 0 305.342 -0.415 20 0 DBADRM CN(CCNC(=O)c1ccc(N(C)C)nc1)Cc1n[nH]c(=O)[n-]1 ZINC001399508461 999440791 /nfs/dbraw/zinc/44/07/91/999440791.db2.gz FMHQFXDXAFSXQH-UHFFFAOYSA-N -1 0 319.369 -0.167 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001399628772 999454147 /nfs/dbraw/zinc/45/41/47/999454147.db2.gz IGYRKYOTWYMXFT-CQSZACIVSA-N -1 0 324.385 -0.683 20 0 DBADRM CCN(CCNC(=O)c1c(C)cnn1C)Cc1n[nH]c(=O)[n-]1 ZINC001399746578 999472906 /nfs/dbraw/zinc/47/29/06/999472906.db2.gz LLEFPVYRVHCBRB-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ccn(C)n1 ZINC001399807325 999490114 /nfs/dbraw/zinc/49/01/14/999490114.db2.gz QBGJGPSGFZJGAB-UHFFFAOYSA-N -1 0 323.357 -0.939 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001399913926 999523274 /nfs/dbraw/zinc/52/32/74/999523274.db2.gz PEAQTQKJHBDCLM-RKDXNWHRSA-N -1 0 310.354 -0.234 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001399919524 999524319 /nfs/dbraw/zinc/52/43/19/999524319.db2.gz ALSDMDNUMFNMOH-JTQLQIEISA-N -1 0 324.385 -0.637 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)Cc2ncc[nH]2)c1[O-] ZINC001399941759 999530384 /nfs/dbraw/zinc/53/03/84/999530384.db2.gz PXBDMFQYLRTPAU-SSDOTTSWSA-N -1 0 306.326 -0.376 20 0 DBADRM CCCN(CCNC(=O)[C@H](C)n1cncn1)Cc1n[nH]c(=O)[n-]1 ZINC001399956039 999533498 /nfs/dbraw/zinc/53/34/98/999533498.db2.gz KHZMNXFNPWRBOT-JTQLQIEISA-N -1 0 322.373 -0.309 20 0 DBADRM CCCN(CCNC(=O)c1cnc[nH]c1=O)Cc1n[nH]c(=O)[n-]1 ZINC001399958525 999534243 /nfs/dbraw/zinc/53/42/43/999534243.db2.gz PLTAATUZFTXVOI-UHFFFAOYSA-N -1 0 321.341 -0.352 20 0 DBADRM C[C@H](NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)c1ncccn1 ZINC001400037599 999549293 /nfs/dbraw/zinc/54/92/93/999549293.db2.gz LSOVTKJJNNJBHZ-QMMMGPOBSA-N -1 0 319.325 -0.504 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)Cc2cncn2C)c1[O-] ZINC001400036292 999549319 /nfs/dbraw/zinc/54/93/19/999549319.db2.gz ZZIDUICTXNKNEC-MRVPVSSYSA-N -1 0 320.353 -0.366 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001400060202 999556118 /nfs/dbraw/zinc/55/61/18/999556118.db2.gz LPKYLOKKJZATGQ-IWSPIJDZSA-N -1 0 311.342 -0.644 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2cncn2C)c1[O-] ZINC001400241735 999591631 /nfs/dbraw/zinc/59/16/31/999591631.db2.gz FVXSBOZGCMEVPO-ZETCQYMHSA-N -1 0 306.326 -0.294 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400292304 999602239 /nfs/dbraw/zinc/60/22/39/999602239.db2.gz JMVFVCOIPBKLMX-JTQLQIEISA-N -1 0 310.358 -0.931 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@H]1CNC(=O)C1CC1 ZINC001400340290 999609068 /nfs/dbraw/zinc/60/90/68/999609068.db2.gz LLMAHCIDMANDJQ-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM CCS(=O)(=O)NCC(=O)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC001597224500 1017190722 /nfs/dbraw/zinc/19/07/22/1017190722.db2.gz BSLWUIMZJKYYMT-UHFFFAOYSA-N -1 0 315.351 -0.323 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)O[C@H](COC)C(=O)[O-])CC1 ZINC001597218842 1017191398 /nfs/dbraw/zinc/19/13/98/1017191398.db2.gz CLMCMGPRXKIAMD-SNVBAGLBSA-N -1 0 323.367 -0.309 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001597224639 1017191458 /nfs/dbraw/zinc/19/14/58/1017191458.db2.gz ZOXBOAYDUMAXOL-IWSPIJDZSA-N -1 0 308.356 -0.985 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC001597224294 1017191514 /nfs/dbraw/zinc/19/15/14/1017191514.db2.gz QTRMWCDQVQWTDQ-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001597224319 1017191616 /nfs/dbraw/zinc/19/16/16/1017191616.db2.gz RIPWKXIATJXBKZ-IUCAKERBSA-N -1 0 308.356 -0.984 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC001597221861 1017190754 /nfs/dbraw/zinc/19/07/54/1017190754.db2.gz TZJSBFSLBNGJKP-UHFFFAOYSA-N -1 0 315.351 -0.180 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001597224315 1017190809 /nfs/dbraw/zinc/19/08/09/1017190809.db2.gz RGZTWKZXLNIQCO-NZFPMDFQSA-N -1 0 318.395 -0.070 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC001597225855 1017192332 /nfs/dbraw/zinc/19/23/32/1017192332.db2.gz XJIGLHJYZNJGDB-JTQLQIEISA-N -1 0 322.383 -0.688 20 0 DBADRM CCS(=O)(=O)NCC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001597224805 1017193375 /nfs/dbraw/zinc/19/33/75/1017193375.db2.gz GQAXOENNRUKPIL-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001597225147 1017194287 /nfs/dbraw/zinc/19/42/87/1017194287.db2.gz KRWUBGUNAGVJSG-UHFFFAOYSA-N -1 0 305.312 -0.936 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001597224891 1017193880 /nfs/dbraw/zinc/19/38/80/1017193880.db2.gz JDTOSCHCNZDAOP-UHFFFAOYSA-N -1 0 318.355 -0.973 20 0 DBADRM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001591067595 1016381448 /nfs/dbraw/zinc/38/14/48/1016381448.db2.gz FWVPDRQSSILJMU-VIFPVBQESA-N -1 0 304.368 -0.220 20 0 DBADRM CC/C(C)=C\C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001494708778 1016391441 /nfs/dbraw/zinc/39/14/41/1016391441.db2.gz MUQVDTLFBTYNCF-RDOCRHDPSA-N -1 0 311.342 -0.334 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)C1(C)CC1 ZINC001591106029 1016386715 /nfs/dbraw/zinc/38/67/15/1016386715.db2.gz JRPBLDTUNMLZRY-UHFFFAOYSA-N -1 0 302.342 -0.251 20 0 DBADRM CC(C)C[C@@H](C(N)=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001591123927 1016390247 /nfs/dbraw/zinc/39/02/47/1016390247.db2.gz BLKYBMIDQUATIR-XPTSAGLGSA-N -1 0 311.338 -0.034 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NC1(C(=O)[O-])CCC1 ZINC001591108872 1016390453 /nfs/dbraw/zinc/39/04/53/1016390453.db2.gz NCOOWEJXGIAKLW-SECBINFHSA-N -1 0 313.354 -0.484 20 0 DBADRM CC/C(C)=C\C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001494708776 1016391872 /nfs/dbraw/zinc/39/18/72/1016391872.db2.gz MUQVDTLFBTYNCF-BZJXQOFCSA-N -1 0 311.342 -0.334 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NC1(C(=O)[O-])CCC1 ZINC001591108873 1016392768 /nfs/dbraw/zinc/39/27/68/1016392768.db2.gz NCOOWEJXGIAKLW-VIFPVBQESA-N -1 0 313.354 -0.484 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C)/C=C/C(=O)[O-] ZINC001591108967 1016393108 /nfs/dbraw/zinc/39/31/08/1016393108.db2.gz PTPZIAYQCLYFPE-OCIBVNFRSA-N -1 0 313.354 -0.462 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001591108922 1016393164 /nfs/dbraw/zinc/39/31/64/1016393164.db2.gz OKOOEBNAWHZYRR-GHMZBOCLSA-N -1 0 300.355 -0.167 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001408535998 1000212370 /nfs/dbraw/zinc/21/23/70/1000212370.db2.gz ICALWTDDALBJLG-RKDXNWHRSA-N -1 0 324.337 -0.579 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCN1c1cnccn1 ZINC001420712267 1000213377 /nfs/dbraw/zinc/21/33/77/1000213377.db2.gz UKMKPMLWROLDPV-MRVPVSSYSA-N -1 0 317.309 -0.576 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[C@H](CO)NC(=O)C(C)C)C(=O)[O-] ZINC001591153556 1016394688 /nfs/dbraw/zinc/39/46/88/1016394688.db2.gz BWEFOXKAPDVNFJ-QWRGUYRKSA-N -1 0 302.371 -0.017 20 0 DBADRM CCn1nncc1C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001408561932 1000225742 /nfs/dbraw/zinc/22/57/42/1000225742.db2.gz FCIURSGHGLGATP-UHFFFAOYSA-N -1 0 321.341 -0.463 20 0 DBADRM CC(C)C[C@@H](CNC(=O)c1cnn(C[C@H](O)CO)c1)C(=O)[O-] ZINC001591156129 1016396721 /nfs/dbraw/zinc/39/67/21/1016396721.db2.gz IYWNBVYYIFQPTK-JQWIXIFHSA-N -1 0 313.354 -0.287 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H](CNCc1ccon1)C1CC1 ZINC001420799297 1000247922 /nfs/dbraw/zinc/24/79/22/1000247922.db2.gz QEUXYYRPYJRGCC-SNVBAGLBSA-N -1 0 322.325 -0.638 20 0 DBADRM CN(Cc1nc[nH]n1)C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591153931 1016398329 /nfs/dbraw/zinc/39/83/29/1016398329.db2.gz IPFLOBHJEMIWKA-UHFFFAOYSA-N -1 0 300.282 -0.037 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@@H]1C[C@H]1C ZINC001408773428 1000293687 /nfs/dbraw/zinc/29/36/87/1000293687.db2.gz FNFPQVQUUAAJNH-HTQZYQBOSA-N -1 0 309.326 -0.483 20 0 DBADRM CC(C)C[C@H](NC(=O)CN(C)C[C@@H]1COCCO1)C(=O)[O-] ZINC001591161953 1016401246 /nfs/dbraw/zinc/40/12/46/1016401246.db2.gz PUMLBTPLIFOJBH-NEPJUHHUSA-N -1 0 302.371 -0.051 20 0 DBADRM CNC(=O)CCCC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001420949102 1000307249 /nfs/dbraw/zinc/30/72/49/1000307249.db2.gz VHKHOQZMUDCDGG-UHFFFAOYSA-N -1 0 310.358 -0.835 20 0 DBADRM Cc1nnccc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001420959398 1000312214 /nfs/dbraw/zinc/31/22/14/1000312214.db2.gz KEBYFLMLSVNQCL-UHFFFAOYSA-N -1 0 303.326 -0.339 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)[C@@H]1COCCO1)C(=O)[O-] ZINC001591172027 1016404684 /nfs/dbraw/zinc/40/46/84/1016404684.db2.gz WQRRWAYRFQXPOL-UWVGGRQHSA-N -1 0 303.311 -0.440 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001409042035 1000338421 /nfs/dbraw/zinc/33/84/21/1000338421.db2.gz JTGMZQHLPPBFEF-QMMMGPOBSA-N -1 0 323.353 -0.721 20 0 DBADRM CC[C@H](CNC(=O)CC(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001409224539 1000401654 /nfs/dbraw/zinc/40/16/54/1000401654.db2.gz FHRYHIXSHNHXEI-MRVPVSSYSA-N -1 0 311.342 -0.047 20 0 DBADRM CCN(C)C(=O)CN1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001421261736 1000425264 /nfs/dbraw/zinc/42/52/64/1000425264.db2.gz QMCBJBFCQDVNDM-SNVBAGLBSA-N -1 0 309.370 -0.294 20 0 DBADRM CC[C@H](CNC(=O)C1(C)CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001409324093 1000430592 /nfs/dbraw/zinc/43/05/92/1000430592.db2.gz KASRJDZTQQKRDN-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H]1CC12CC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001409420145 1000453491 /nfs/dbraw/zinc/45/34/91/1000453491.db2.gz MTNUQFWOHYUGGU-IUCAKERBSA-N -1 0 323.353 -0.500 20 0 DBADRM CC[C@H](CNC(=O)[C@@H]1CC12CC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001409420141 1000453615 /nfs/dbraw/zinc/45/36/15/1000453615.db2.gz MTNUQFWOHYUGGU-BDAKNGLRSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1nccs1 ZINC001409589344 1000479442 /nfs/dbraw/zinc/47/94/42/1000479442.db2.gz ASEINVWUWZUKQF-SSDOTTSWSA-N -1 0 324.366 -0.010 20 0 DBADRM CC(C)C(=O)NC[C@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001409613123 1000486154 /nfs/dbraw/zinc/48/61/54/1000486154.db2.gz DMJIHRMOHZEFHY-SECBINFHSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@@H](CNC(=O)CN1CCCC1=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001409636577 1000492491 /nfs/dbraw/zinc/49/24/91/1000492491.db2.gz VALBDUPFCSPPOV-VIFPVBQESA-N -1 0 310.358 -0.931 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)CNC(=O)C1(C)CC1 ZINC001409718083 1000519329 /nfs/dbraw/zinc/51/93/29/1000519329.db2.gz LSRQJPSAWLBJKW-SECBINFHSA-N -1 0 322.365 -0.232 20 0 DBADRM O=C(NCC1(O)CN(CCCF)C1)c1c[n-]n2c1nccc2=O ZINC001421479413 1000525645 /nfs/dbraw/zinc/52/56/45/1000525645.db2.gz BPRUNUWZQDMIRV-UHFFFAOYSA-N -1 0 323.328 -0.841 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001421695322 1000594942 /nfs/dbraw/zinc/59/49/42/1000594942.db2.gz SRGWEPANODRAHN-ZJUUUORDSA-N -1 0 313.358 -0.748 20 0 DBADRM CCC1(C(=O)NC[C@@H](O)CNC(=O)c2cnc[nH]c2=O)CCC1 ZINC001410150169 1000649877 /nfs/dbraw/zinc/64/98/77/1000649877.db2.gz XAQUECICLWVXBG-JTQLQIEISA-N -1 0 322.365 -0.031 20 0 DBADRM CNC(=O)Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCCC2=O ZINC001591209755 1016430653 /nfs/dbraw/zinc/43/06/53/1016430653.db2.gz VUZKHCNWKJXAGJ-UHFFFAOYSA-N -1 0 302.294 -0.707 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)CCn2cccn2)c1[O-] ZINC001410165262 1000658288 /nfs/dbraw/zinc/65/82/88/1000658288.db2.gz WIBWYLMBTBFJBZ-SECBINFHSA-N -1 0 320.353 -0.055 20 0 DBADRM CC(C)C[C@@H]1C(=O)NCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC001591206857 1016426344 /nfs/dbraw/zinc/42/63/44/1016426344.db2.gz ZUXIVOBYLVWOQG-SNVBAGLBSA-N -1 0 321.399 -0.516 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)CCn2ccnn2)c1[O-] ZINC001410361257 1000737415 /nfs/dbraw/zinc/73/74/15/1000737415.db2.gz ZWTRLQNGUGVNAI-QMMMGPOBSA-N -1 0 321.341 -0.660 20 0 DBADRM Cc1nn(C)cc1CC(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001422168050 1000747878 /nfs/dbraw/zinc/74/78/78/1000747878.db2.gz LWGXONVEWLGBAU-UHFFFAOYSA-N -1 0 321.385 -0.315 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001410426715 1000765131 /nfs/dbraw/zinc/76/51/31/1000765131.db2.gz BGJSAEHOGPZPEN-ZETCQYMHSA-N -1 0 320.353 -0.068 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001410447775 1000771401 /nfs/dbraw/zinc/77/14/01/1000771401.db2.gz ZZWLWXILONMESC-AXTSPUMRSA-N -1 0 323.353 -0.644 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](CO)C1 ZINC001422218595 1000771508 /nfs/dbraw/zinc/77/15/08/1000771508.db2.gz NQKAHBSKPSIFKP-SECBINFHSA-N -1 0 313.358 -0.076 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001422230441 1000774030 /nfs/dbraw/zinc/77/40/30/1000774030.db2.gz NRMBOQWHCIXEQI-VHSXEESVSA-N -1 0 324.385 -0.555 20 0 DBADRM CCCC(=O)NC[C@H]1CCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001410529105 1000792555 /nfs/dbraw/zinc/79/25/55/1000792555.db2.gz YGELVWFDVNGBSK-SECBINFHSA-N -1 0 323.353 -0.267 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001410557214 1000803938 /nfs/dbraw/zinc/80/39/38/1000803938.db2.gz VHHLPXVTMAHSED-RKDXNWHRSA-N -1 0 311.342 -0.548 20 0 DBADRM CCn1ccc(CN[C@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001410604853 1000828024 /nfs/dbraw/zinc/82/80/24/1000828024.db2.gz XPILDMYZGQHLKS-NSHDSACASA-N -1 0 322.369 -0.479 20 0 DBADRM CNc1ccc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)cn1 ZINC001591225482 1016442988 /nfs/dbraw/zinc/44/29/88/1016442988.db2.gz SZHDREWXEPKHKA-UHFFFAOYSA-N -1 0 314.313 -0.675 20 0 DBADRM Cc1cc(CC(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001422480927 1000881293 /nfs/dbraw/zinc/88/12/93/1000881293.db2.gz NNBHJICSPMVDLQ-QMMMGPOBSA-N -1 0 308.342 -0.014 20 0 DBADRM C[C@H](CC(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccco1 ZINC001410760492 1000890895 /nfs/dbraw/zinc/89/08/95/1000890895.db2.gz YQVKPQUEXZEVLI-ZJUUUORDSA-N -1 0 323.353 -0.136 20 0 DBADRM C[C@@H](CNC(=O)[C@@]1(F)CCOC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422555659 1000908253 /nfs/dbraw/zinc/90/82/53/1000908253.db2.gz XMDMIGWBVZZFNT-QPUJVOFHSA-N -1 0 301.322 -0.425 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001410791403 1000909676 /nfs/dbraw/zinc/90/96/76/1000909676.db2.gz FCLLAADFEQFSHE-HTQZYQBOSA-N -1 0 309.326 -0.890 20 0 DBADRM Cc1conc1CNC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001422605991 1000931658 /nfs/dbraw/zinc/93/16/58/1000931658.db2.gz WNQJBLYQPHAXAQ-MRVPVSSYSA-N -1 0 310.314 -0.720 20 0 DBADRM COC(=O)[C@@H]1CCN(Cn2cccc(-c3nnn[n-]3)c2=O)[C@@H]1C ZINC001591252701 1016453927 /nfs/dbraw/zinc/45/39/27/1016453927.db2.gz MGILDWRYHMHCOL-NXEZZACHSA-N -1 0 318.337 -0.131 20 0 DBADRM C[C@@H](NC(=O)C[C@@H]1COC(=O)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001422722434 1000984353 /nfs/dbraw/zinc/98/43/53/1000984353.db2.gz UCDWNQQTXQXGBU-BDAKNGLRSA-N -1 0 323.353 -0.600 20 0 DBADRM COC(=O)CCCCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591262224 1016456706 /nfs/dbraw/zinc/45/67/06/1016456706.db2.gz MRKVCIPRQAHOFV-MRVPVSSYSA-N -1 0 322.329 -0.521 20 0 DBADRM COC(=O)CN(C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001591266616 1016458121 /nfs/dbraw/zinc/45/81/21/1016458121.db2.gz POUUHVKSIZCJNS-SSDOTTSWSA-N -1 0 320.313 -0.817 20 0 DBADRM Cc1ncc(CC(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)o1 ZINC001422830317 1001025782 /nfs/dbraw/zinc/02/57/82/1001025782.db2.gz XGGQZRJBOYEOKC-QMMMGPOBSA-N -1 0 308.342 -0.014 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3C[C@@H]3C)C2)c1[O-] ZINC001411167889 1001054108 /nfs/dbraw/zinc/05/41/08/1001054108.db2.gz IIAQABFRKGPSEA-KPWYMIHSSA-N -1 0 322.365 -0.227 20 0 DBADRM C[C@H](CN(C)Cc1ccon1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001422921782 1001060482 /nfs/dbraw/zinc/06/04/82/1001060482.db2.gz LEQDGEIWWHJSLY-MRVPVSSYSA-N -1 0 310.314 -0.686 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)CCCF ZINC001411175727 1001062276 /nfs/dbraw/zinc/06/22/76/1001062276.db2.gz NKXHETBMOORJOC-SECBINFHSA-N -1 0 303.338 -0.489 20 0 DBADRM COC(=O)C[C@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591270368 1016463221 /nfs/dbraw/zinc/46/32/21/1016463221.db2.gz RABDQAZCXSAFMF-NKWVEPMBSA-N -1 0 308.302 -0.913 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591267758 1016463467 /nfs/dbraw/zinc/46/34/67/1016463467.db2.gz FPRAALFVIHMMQA-ZCFIWIBFSA-N -1 0 323.265 -0.706 20 0 DBADRM O=C(NC1CC(CNC(=O)C(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC001411322739 1001097498 /nfs/dbraw/zinc/09/74/98/1001097498.db2.gz FJIZDXXXRDPICX-UHFFFAOYSA-N -1 0 317.252 -0.828 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NC(=O)Cn2cccn2)c1[O-] ZINC001411346762 1001102564 /nfs/dbraw/zinc/10/25/64/1001102564.db2.gz BOSUICNKHMCGRD-IUCAKERBSA-N -1 0 320.353 -0.057 20 0 DBADRM O=C(COCC(F)F)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001423119432 1001125705 /nfs/dbraw/zinc/12/57/05/1001125705.db2.gz MCDOLQLMUNVWIJ-ZETCQYMHSA-N -1 0 305.285 -0.518 20 0 DBADRM C[C@@H](CNC(=O)c1ccco1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001411479709 1001132626 /nfs/dbraw/zinc/13/26/26/1001132626.db2.gz KPISOYLOOARCCS-QMMMGPOBSA-N -1 0 323.309 -0.441 20 0 DBADRM C[C@H](CNC(=O)c1ccco1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001411479705 1001133092 /nfs/dbraw/zinc/13/30/92/1001133092.db2.gz KPISOYLOOARCCS-MRVPVSSYSA-N -1 0 323.309 -0.441 20 0 DBADRM COC(=O)[C@@H](C)NS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001591275919 1016468328 /nfs/dbraw/zinc/46/83/28/1016468328.db2.gz CYTVSFVGZUBZNR-RXMQYKEDSA-N -1 0 317.352 -0.232 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001591290121 1016472272 /nfs/dbraw/zinc/47/22/72/1016472272.db2.gz WUYORQANVRXNDX-SECBINFHSA-N -1 0 310.372 -0.375 20 0 DBADRM Cc1cnn(CCC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)c1 ZINC001423154297 1001139472 /nfs/dbraw/zinc/13/94/72/1001139472.db2.gz LPUGWXJBOYONIE-LLVKDONJSA-N -1 0 319.369 -0.204 20 0 DBADRM CCc1nocc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597754418 1017206585 /nfs/dbraw/zinc/20/65/85/1017206585.db2.gz DSTKHROUQJHCRG-RKDXNWHRSA-N -1 0 307.306 -0.102 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2CCCO2)c1 ZINC001591285255 1016472809 /nfs/dbraw/zinc/47/28/09/1016472809.db2.gz GIXFZHSEXLEPFD-SECBINFHSA-N -1 0 305.294 -0.006 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)c1cccc(=O)[nH]1 ZINC001423191591 1001155133 /nfs/dbraw/zinc/15/51/33/1001155133.db2.gz DINKVIFNQMRNPW-UHFFFAOYSA-N -1 0 304.310 -0.337 20 0 DBADRM COCCn1nnnc1NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001411552728 1001159828 /nfs/dbraw/zinc/15/98/28/1001159828.db2.gz ZEDFWJSZESGEON-UHFFFAOYSA-N -1 0 324.263 -0.285 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCc1ccc2c(c1)OCCO2 ZINC001411618371 1001179155 /nfs/dbraw/zinc/17/91/55/1001179155.db2.gz OPOOZXIIOYHTFD-UHFFFAOYSA-N -1 0 320.305 -0.181 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1ccc2c(c1)OCCO2 ZINC001411626660 1001181557 /nfs/dbraw/zinc/18/15/57/1001181557.db2.gz BEVPTLQKMHRCOJ-UHFFFAOYSA-N -1 0 306.278 -0.223 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)C(C)(C)F ZINC001411628721 1001182265 /nfs/dbraw/zinc/18/22/65/1001182265.db2.gz DVJVOLKMRPSKFA-SSDOTTSWSA-N -1 0 317.321 -0.600 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2ccns2)c1[O-] ZINC001423220790 1001183605 /nfs/dbraw/zinc/18/36/05/1001183605.db2.gz RECUJDMUSLQVGY-QMMMGPOBSA-N -1 0 311.367 -0.239 20 0 DBADRM O=C(CCc1ccon1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001423242361 1001199573 /nfs/dbraw/zinc/19/95/73/1001199573.db2.gz VKKUCLFZMUTOSA-UHFFFAOYSA-N -1 0 306.326 -0.131 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CCn2cccn2)c1 ZINC001591285338 1016471753 /nfs/dbraw/zinc/47/17/53/1016471753.db2.gz IPIOFYNRECIMFO-UHFFFAOYSA-N -1 0 315.293 -0.288 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1Cc2ccccc21 ZINC001423260086 1001212007 /nfs/dbraw/zinc/21/20/07/1001212007.db2.gz UATDQVGAZFXGDM-CMPLNLGQSA-N -1 0 317.349 -0.583 20 0 DBADRM COCc1cc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)no1 ZINC001423271702 1001220715 /nfs/dbraw/zinc/22/07/15/1001220715.db2.gz ZAWCVBKOWXDZBW-UHFFFAOYSA-N -1 0 322.325 -0.303 20 0 DBADRM COC(C)(C)CN(C)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591316498 1016475507 /nfs/dbraw/zinc/47/55/07/1016475507.db2.gz KTQDOZJBKQCOIV-QMMMGPOBSA-N -1 0 308.346 -0.097 20 0 DBADRM C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001411780745 1001226164 /nfs/dbraw/zinc/22/61/64/1001226164.db2.gz TVFZBIKOPFHERA-ZJUUUORDSA-N -1 0 304.310 -0.038 20 0 DBADRM C[C@H](C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C1CCCC1 ZINC001423286254 1001231825 /nfs/dbraw/zinc/23/18/25/1001231825.db2.gz XROUTAGESVSEIR-GXSJLCMTSA-N -1 0 311.386 -0.097 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC001411892261 1001243611 /nfs/dbraw/zinc/24/36/11/1001243611.db2.gz XXXFAFLVTSDVQK-QMMMGPOBSA-N -1 0 322.300 -0.382 20 0 DBADRM COC[C@](C)(NC(=O)c1c[n-]n2c1nccc2=O)C(=O)OC ZINC001411899693 1001244478 /nfs/dbraw/zinc/24/44/78/1001244478.db2.gz INFCOWWQAUREOR-ZDUSSCGKSA-N -1 0 308.294 -0.670 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nn1cc(Br)cn1 ZINC001411935654 1001256181 /nfs/dbraw/zinc/25/61/81/1001256181.db2.gz GPPGPMTZTSQKRO-UHFFFAOYSA-N -1 0 303.076 -0.581 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCC1(CO)CCOCC1 ZINC001411940743 1001257145 /nfs/dbraw/zinc/25/71/45/1001257145.db2.gz YYTRFTJUWKXQCE-UHFFFAOYSA-N -1 0 314.342 -0.625 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](c3nnn[n-]3)C2)C1 ZINC001411941015 1001257664 /nfs/dbraw/zinc/25/76/64/1001257664.db2.gz XVJDKIDFRGLFKH-UWVGGRQHSA-N -1 0 307.358 -0.304 20 0 DBADRM CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001591320129 1016480100 /nfs/dbraw/zinc/48/01/00/1016480100.db2.gz TYVWDVMGOBSCAF-SSDOTTSWSA-N -1 0 311.323 -0.294 20 0 DBADRM CC1=C(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)S(=O)(=O)CCO1 ZINC001411989658 1001271001 /nfs/dbraw/zinc/27/10/01/1001271001.db2.gz JGNBKANIDJHPPL-SSDOTTSWSA-N -1 0 315.355 -0.562 20 0 DBADRM Cc1nccc(N2CCN(C(=O)CCc3nnn[n-]3)CC2)n1 ZINC001412006628 1001276152 /nfs/dbraw/zinc/27/61/52/1001276152.db2.gz UZYMVTKCLALBIZ-UHFFFAOYSA-N -1 0 302.342 -0.420 20 0 DBADRM CNC(=O)N[C@H]1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC001412011247 1001277146 /nfs/dbraw/zinc/27/71/46/1001277146.db2.gz IURUDNOVQJYZHR-NSHDSACASA-N -1 0 323.397 -0.095 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOC[C@H]1[C@H]1CCCC1=O ZINC001412022740 1001281108 /nfs/dbraw/zinc/28/11/08/1001281108.db2.gz TYUOEPXAAOREBN-BDAKNGLRSA-N -1 0 310.310 -0.714 20 0 DBADRM COC1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCCCC1 ZINC001591336435 1016483923 /nfs/dbraw/zinc/48/39/23/1016483923.db2.gz QOUIDNCNBBHJDQ-UHFFFAOYSA-N -1 0 320.357 -0.076 20 0 DBADRM Cn1ncc(CCC(=O)N2CCSC[C@H]2c2nnn[n-]2)n1 ZINC001412050579 1001289067 /nfs/dbraw/zinc/28/90/67/1001289067.db2.gz YQBUYWYIPULAQW-VIFPVBQESA-N -1 0 308.371 -0.423 20 0 DBADRM Cc1c(CCC(=O)N2CCC(O)(c3nnn[n-]3)CC2)cnn1C ZINC001412056501 1001290291 /nfs/dbraw/zinc/29/02/91/1001290291.db2.gz LJKLLKUZPYQTJC-UHFFFAOYSA-N -1 0 319.369 -0.316 20 0 DBADRM CCc1c(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cnn1C ZINC001412055092 1001290795 /nfs/dbraw/zinc/29/07/95/1001290795.db2.gz GUXFLOVHTPSGQV-UHFFFAOYSA-N -1 0 305.342 -0.381 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412058529 1001290950 /nfs/dbraw/zinc/29/09/50/1001290950.db2.gz SNYISMATDATLGY-NXEZZACHSA-N -1 0 317.353 -0.453 20 0 DBADRM CO[C@@H](CC(C)C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591327726 1016484151 /nfs/dbraw/zinc/48/41/51/1016484151.db2.gz SXUSFYASHPSBDT-VIFPVBQESA-N -1 0 308.346 -0.365 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001412076984 1001296031 /nfs/dbraw/zinc/29/60/31/1001296031.db2.gz PPIXOJBRRXLAGC-QMMMGPOBSA-N -1 0 315.351 -0.764 20 0 DBADRM COC(=O)[C@@H](C)N(C)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001412099849 1001301033 /nfs/dbraw/zinc/30/10/33/1001301033.db2.gz SWLNJILEMPCUNQ-MRVPVSSYSA-N -1 0 320.305 -0.100 20 0 DBADRM CO[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC1 ZINC001591354114 1016485133 /nfs/dbraw/zinc/48/51/33/1016485133.db2.gz KDBUFXCSZWWJQZ-MRVPVSSYSA-N -1 0 321.341 -0.741 20 0 DBADRM O=C(CN1CCNC(=O)C1)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001412119530 1001306394 /nfs/dbraw/zinc/30/63/94/1001306394.db2.gz PEZDZQIUWWCXFA-UHFFFAOYSA-N -1 0 316.321 -0.452 20 0 DBADRM CC(C)(NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ncccn1 ZINC001412122672 1001307275 /nfs/dbraw/zinc/30/72/75/1001307275.db2.gz GGXDGRMBBZITKM-UHFFFAOYSA-N -1 0 313.321 -0.087 20 0 DBADRM CC1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[S@]1=O ZINC001412124799 1001307788 /nfs/dbraw/zinc/30/77/88/1001307788.db2.gz MAGBDHANSXXZEU-HXUWFJFHSA-N -1 0 300.340 -0.344 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nn2ccnn2)c1 ZINC001412155237 1001316609 /nfs/dbraw/zinc/31/66/09/1001316609.db2.gz IANSUMMMYSFOBF-UHFFFAOYSA-N -1 0 311.323 -0.382 20 0 DBADRM COC1CN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001591359196 1016486600 /nfs/dbraw/zinc/48/66/00/1016486600.db2.gz CQQRRCALTDUZHL-UHFFFAOYSA-N -1 0 301.353 -0.053 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001412164021 1001320095 /nfs/dbraw/zinc/32/00/95/1001320095.db2.gz FVFSRHLBFCWSOP-UWVGGRQHSA-N -1 0 313.333 -0.276 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@H](O)Cn1ccnn1 ZINC001412220676 1001336399 /nfs/dbraw/zinc/33/63/99/1001336399.db2.gz ZYMXAYVSBLUMOI-ZETCQYMHSA-N -1 0 323.275 -0.788 20 0 DBADRM CCC[C@H](O)[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001412219490 1001337023 /nfs/dbraw/zinc/33/70/23/1001337023.db2.gz JXAWNSQBAWYKAT-QWRGUYRKSA-N -1 0 306.326 -0.487 20 0 DBADRM O=C(CC1CC1)NC[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001412234485 1001343257 /nfs/dbraw/zinc/34/32/57/1001343257.db2.gz ONTQIGXKQGZMTF-MGCOHNPYSA-N -1 0 323.353 -0.500 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H](CO)[C@@H]1CCCOC1 ZINC001412246812 1001346294 /nfs/dbraw/zinc/34/62/94/1001346294.db2.gz IKVRCHYKOPGHCH-ZJUUUORDSA-N -1 0 314.342 -0.627 20 0 DBADRM CO[C@H](C)CC(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001423500923 1001346997 /nfs/dbraw/zinc/34/69/97/1001346997.db2.gz FULMTYXQJRUHSR-NXEZZACHSA-N -1 0 315.374 -0.814 20 0 DBADRM CO[C@H](COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001591333599 1016482936 /nfs/dbraw/zinc/48/29/36/1016482936.db2.gz CQFLTBSZMJTMEW-VXNVDRBHSA-N -1 0 307.314 -0.013 20 0 DBADRM CNC(=O)[C@@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001412265892 1001352557 /nfs/dbraw/zinc/35/25/57/1001352557.db2.gz NLGBNTKLUIKSPV-SNVBAGLBSA-N -1 0 315.337 -0.717 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412287397 1001357635 /nfs/dbraw/zinc/35/76/35/1001357635.db2.gz DUIAMERAIBACAA-GHMZBOCLSA-N -1 0 304.310 -0.782 20 0 DBADRM CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001412297902 1001361137 /nfs/dbraw/zinc/36/11/37/1001361137.db2.gz OBFZLSMQMYSTDL-CBAPKCEASA-N -1 0 316.289 -0.561 20 0 DBADRM Cc1nnc(N2CCN(C(=O)c3c[n-]ncc3=O)CC2)n1C ZINC001412300742 1001361271 /nfs/dbraw/zinc/36/12/71/1001361271.db2.gz ZMLSYBKQBGASMZ-UHFFFAOYSA-N -1 0 303.326 -0.418 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001412308439 1001364345 /nfs/dbraw/zinc/36/43/45/1001364345.db2.gz CSTNERLEULAIMN-NKWVEPMBSA-N -1 0 313.339 -0.441 20 0 DBADRM CCC(=O)N(C)[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001412321490 1001366789 /nfs/dbraw/zinc/36/67/89/1001366789.db2.gz SYHYYRVUYPTXRQ-MRVPVSSYSA-N -1 0 309.326 -0.340 20 0 DBADRM Cn1cnnc1[C@@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001412363823 1001377173 /nfs/dbraw/zinc/37/71/73/1001377173.db2.gz PCWZFGLTWZCKMH-ZCFIWIBFSA-N -1 0 323.275 -0.578 20 0 DBADRM CSCC[C@H](NC(=O)c1cn(C)c(=O)n1C)c1nnn[n-]1 ZINC001412364823 1001377649 /nfs/dbraw/zinc/37/76/49/1001377649.db2.gz DCKLZZSTTOLMRU-ZETCQYMHSA-N -1 0 311.371 -0.539 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NCC(=O)N(C)C)cc2=O)n1 ZINC001412376226 1001380625 /nfs/dbraw/zinc/38/06/25/1001380625.db2.gz FZFGWLGEEVSFLX-UHFFFAOYSA-N -1 0 318.337 -0.610 20 0 DBADRM CN(C(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2)c1nnn[n-]1 ZINC001412376169 1001380800 /nfs/dbraw/zinc/38/08/00/1001380800.db2.gz NMUCZPDYIXYZHK-UHFFFAOYSA-N -1 0 322.350 -0.388 20 0 DBADRM COCC(=O)N[C@@H](C)CN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001591366804 1016491075 /nfs/dbraw/zinc/49/10/75/1016491075.db2.gz PERBRFFAXMBEMB-QMMMGPOBSA-N -1 0 306.330 -0.756 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)CCCc2nnn[n-]2)cn1 ZINC001412431525 1001399419 /nfs/dbraw/zinc/39/94/19/1001399419.db2.gz RCBLNEWBZNAYAR-UHFFFAOYSA-N -1 0 310.339 -0.040 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)n1 ZINC001412434185 1001401626 /nfs/dbraw/zinc/40/16/26/1001401626.db2.gz UVCMDLZMGDGRLC-JTQLQIEISA-N -1 0 317.309 -0.832 20 0 DBADRM O=C(NC[C@@]1(CO)COCCN1)c1n[n-]c2ccccc2c1=O ZINC001412462188 1001412094 /nfs/dbraw/zinc/41/20/94/1001412094.db2.gz OWVJBSPVCLUFAU-OAHLLOKOSA-N -1 0 318.333 -0.584 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccn1 ZINC001423742389 1001414557 /nfs/dbraw/zinc/41/45/57/1001414557.db2.gz OKPCIIPFQYYINN-CQSZACIVSA-N -1 0 318.337 -0.728 20 0 DBADRM CO[C@H]1CC[C@H]1N(C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591353878 1016488044 /nfs/dbraw/zinc/48/80/44/1016488044.db2.gz MFWFSFTWWBWZOV-BDAKNGLRSA-N -1 0 321.345 -0.723 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC001412489447 1001424163 /nfs/dbraw/zinc/42/41/63/1001424163.db2.gz XHHHTGVGHAOIJG-QMMMGPOBSA-N -1 0 308.298 -0.439 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001412492123 1001425912 /nfs/dbraw/zinc/42/59/12/1001425912.db2.gz HQLOIQXKVKIASJ-CPOMMVLXSA-N -1 0 322.365 -0.107 20 0 DBADRM CC(C)CNC(=O)CNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001591370226 1016493989 /nfs/dbraw/zinc/49/39/89/1016493989.db2.gz CUZWCZATEHFIIH-UHFFFAOYSA-N -1 0 306.384 -0.067 20 0 DBADRM O=C(Cc1cccs1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423798055 1001439685 /nfs/dbraw/zinc/43/96/85/1001439685.db2.gz MLYOBHGDDRSPSO-UHFFFAOYSA-N -1 0 323.378 -0.523 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001412538074 1001441620 /nfs/dbraw/zinc/44/16/20/1001441620.db2.gz HAZURTQFOBGRLX-SSDOTTSWSA-N -1 0 304.314 -0.745 20 0 DBADRM CCCCS(=O)(=O)CC(=O)NC1(c2nnn[n-]2)CCC1 ZINC001412547705 1001445415 /nfs/dbraw/zinc/44/54/15/1001445415.db2.gz XVBYXKOVUXFXLD-UHFFFAOYSA-N -1 0 301.372 -0.090 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC(CO)(CO)CC1 ZINC001412553970 1001447832 /nfs/dbraw/zinc/44/78/32/1001447832.db2.gz RRAHCBQYANJWGV-UHFFFAOYSA-N -1 0 302.356 -0.804 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCO[C@H](C(F)F)C1 ZINC001412551746 1001447964 /nfs/dbraw/zinc/44/79/64/1001447964.db2.gz DRUQZLNVDJGBKH-ZETCQYMHSA-N -1 0 306.269 -0.038 20 0 DBADRM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001412571122 1001453345 /nfs/dbraw/zinc/45/33/45/1001453345.db2.gz INTSCXDSYJKWMT-YUMQZZPRSA-N -1 0 309.326 -0.340 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1nnn[n-]1 ZINC001412589213 1001468912 /nfs/dbraw/zinc/46/89/12/1001468912.db2.gz GVYFMDGFKIJKSD-MNOVXSKESA-N -1 0 322.369 -0.348 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)NC(=O)C1CCC1 ZINC001423840494 1001469022 /nfs/dbraw/zinc/46/90/22/1001469022.db2.gz HNOAXSQIWNFUBS-NKWVEPMBSA-N -1 0 309.326 -0.294 20 0 DBADRM COC[C@@H](C)[C@H](C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591372455 1016496802 /nfs/dbraw/zinc/49/68/02/1016496802.db2.gz HGHHCMUZPKDXKP-BDAKNGLRSA-N -1 0 308.346 -0.507 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2ncc[n-]2)O1 ZINC001423847034 1001474635 /nfs/dbraw/zinc/47/46/35/1001474635.db2.gz GVWMPBFDRDAWMP-IUCAKERBSA-N -1 0 302.356 -0.676 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ncc[n-]2)O1 ZINC001423847043 1001474643 /nfs/dbraw/zinc/47/46/43/1001474643.db2.gz GVWMPBFDRDAWMP-RKDXNWHRSA-N -1 0 302.356 -0.676 20 0 DBADRM COC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C1CC1 ZINC001591383059 1016499491 /nfs/dbraw/zinc/49/94/91/1016499491.db2.gz SSTSRVWOSUPYIE-ZETCQYMHSA-N -1 0 307.314 -0.497 20 0 DBADRM COCC1(CC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001591387642 1016499573 /nfs/dbraw/zinc/49/95/73/1016499573.db2.gz UKTWHLVBEDIAJW-UHFFFAOYSA-N -1 0 306.330 -0.609 20 0 DBADRM CC(C)N1C(=O)CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1(C)C ZINC001412616707 1001499891 /nfs/dbraw/zinc/49/98/91/1001499891.db2.gz GSBNYLHCJRVTNX-UHFFFAOYSA-N -1 0 311.342 -0.453 20 0 DBADRM CCOC(=O)[C@@H](C)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412623027 1001505048 /nfs/dbraw/zinc/50/50/48/1001505048.db2.gz CNZSSYWZQXPHPT-QMMMGPOBSA-N -1 0 300.315 -0.215 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCNC(=O)[C@H]1c1cccs1 ZINC001412621583 1001505941 /nfs/dbraw/zinc/50/59/41/1001505941.db2.gz PCZRYKVQPOPAMS-LLVKDONJSA-N -1 0 306.351 -0.107 20 0 DBADRM CN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@@H]1COC[C@H]1O ZINC001412627071 1001513818 /nfs/dbraw/zinc/51/38/18/1001513818.db2.gz JKWVPLZPALGHLT-RKDXNWHRSA-N -1 0 306.278 -0.732 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001412626526 1001514372 /nfs/dbraw/zinc/51/43/72/1001514372.db2.gz YNGFMKXFAVPLAP-FXQIFTODSA-N -1 0 309.326 -0.485 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H](CO)C[C@@H]1CCCO1 ZINC001412630018 1001515975 /nfs/dbraw/zinc/51/59/75/1001515975.db2.gz SVPHIKUGLIDWLC-ZJUUUORDSA-N -1 0 314.342 -0.484 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@H](C2OCCO2)C1 ZINC001412635029 1001516649 /nfs/dbraw/zinc/51/66/49/1001516649.db2.gz JWRRATWTHZJCDN-VIFPVBQESA-N -1 0 312.326 -0.309 20 0 DBADRM CCOC(=O)C1(CC(=O)NCc2n[nH]c(=O)[n-]2)CCOCC1 ZINC001412638230 1001518165 /nfs/dbraw/zinc/51/81/65/1001518165.db2.gz VGMZKZSOTPIBDN-UHFFFAOYSA-N -1 0 312.326 -0.124 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H](CO)[C@H]1CCOC1 ZINC001423894663 1001519242 /nfs/dbraw/zinc/51/92/42/1001519242.db2.gz MDERWCHXGKTNAD-WPRPVWTQSA-N -1 0 319.335 -0.258 20 0 DBADRM Cn1[n-]c(C(=O)Nc2ccn(CCN3CC[NH+]=C3[O-])n2)cc1=O ZINC001412659081 1001523387 /nfs/dbraw/zinc/52/33/87/1001523387.db2.gz JKBGIKRJPLXBFG-UHFFFAOYSA-N -1 0 319.325 -0.400 20 0 DBADRM COC[C@@H](Nc1nc(-c2nnn[n-]2)c(Cl)s1)C(N)=O ZINC001591382836 1016503000 /nfs/dbraw/zinc/50/30/00/1016503000.db2.gz OWXHYALPCAJVCE-GSVOUGTGSA-N -1 0 303.735 -0.111 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412707612 1001536504 /nfs/dbraw/zinc/53/65/04/1001536504.db2.gz MYVOVLKORVJGFB-RKDXNWHRSA-N -1 0 300.315 -0.610 20 0 DBADRM COC[C@@]1(C)CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001591385921 1016503116 /nfs/dbraw/zinc/50/31/16/1016503116.db2.gz GLCLVXBYFPFGHK-ZDUSSCGKSA-N -1 0 321.341 -0.884 20 0 DBADRM COCC1(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCC1 ZINC001591389569 1016503312 /nfs/dbraw/zinc/50/33/12/1016503312.db2.gz XKKPNNYGKTURHT-UHFFFAOYSA-N -1 0 306.330 -0.466 20 0 DBADRM Cn1nccc1[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCO1 ZINC001412718813 1001539798 /nfs/dbraw/zinc/53/97/98/1001539798.db2.gz BYTAXRUTLQOYLS-VIFPVBQESA-N -1 0 324.366 -0.064 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCC2(CO)COC2)cn1 ZINC001412718382 1001540068 /nfs/dbraw/zinc/54/00/68/1001540068.db2.gz BIFPHPQICFLWBD-UHFFFAOYSA-N -1 0 315.351 -0.808 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCSC[C@H]1CO ZINC001412717724 1001540392 /nfs/dbraw/zinc/54/03/92/1001540392.db2.gz SPHLVVLMSURZOT-MRVPVSSYSA-N -1 0 309.351 -0.993 20 0 DBADRM C[C@H]1OCC[C@]1(O)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001423994972 1001540669 /nfs/dbraw/zinc/54/06/69/1001540669.db2.gz DGVAHMGQQBOZKV-ZJUUUORDSA-N -1 0 312.413 -0.378 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)no1 ZINC001412720824 1001540991 /nfs/dbraw/zinc/54/09/91/1001540991.db2.gz DDJJZJGDRNDBEX-ZETCQYMHSA-N -1 0 306.282 -0.006 20 0 DBADRM COC[C@@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC001424001677 1001542814 /nfs/dbraw/zinc/54/28/14/1001542814.db2.gz YYMLOKXXJIFOQJ-DGIBIBHMSA-N -1 0 322.408 -0.015 20 0 DBADRM CC1([C@H]2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)OCCO1 ZINC001412734901 1001547917 /nfs/dbraw/zinc/54/79/17/1001547917.db2.gz VIWWYMARMWVMRY-VIFPVBQESA-N -1 0 312.326 -0.309 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1cccn1CCN1CCOCC1 ZINC001412733900 1001548257 /nfs/dbraw/zinc/54/82/57/1001548257.db2.gz SZDLWHCIEVQRFQ-UHFFFAOYSA-N -1 0 321.337 -0.573 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001424038746 1001552707 /nfs/dbraw/zinc/55/27/07/1001552707.db2.gz JGEZHBSCAMMZKZ-QWRGUYRKSA-N -1 0 322.369 -0.788 20 0 DBADRM COC[C@@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C(=O)OC ZINC001412747525 1001555141 /nfs/dbraw/zinc/55/51/41/1001555141.db2.gz HWULKLTVXXBAHC-LLVKDONJSA-N -1 0 313.354 -0.321 20 0 DBADRM COC[C@@H]1CN(Cn2ccc(C)c(-c3nnn[n-]3)c2=O)CCO1 ZINC001591395649 1016505139 /nfs/dbraw/zinc/50/51/39/1016505139.db2.gz HGEAILLIPLCBAC-NSHDSACASA-N -1 0 320.353 -0.358 20 0 DBADRM CC(C)COC[C@@H](O)CNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001591391221 1016505425 /nfs/dbraw/zinc/50/54/25/1016505425.db2.gz VDZNOHJXBHBZJJ-GRYCIOLGSA-N -1 0 318.370 -0.191 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNC(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC001424094831 1001568637 /nfs/dbraw/zinc/56/86/37/1001568637.db2.gz PZMXNSHDLNGXLI-IONNQARKSA-N -1 0 323.353 -0.721 20 0 DBADRM Cn1cnnc1[C@H]1CCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412768942 1001568789 /nfs/dbraw/zinc/56/87/89/1001568789.db2.gz FMHCITCDQSINKZ-SECBINFHSA-N -1 0 321.341 -0.038 20 0 DBADRM C[C@@H](CNC(=O)[C@@H](C)C1CC1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001424104199 1001571579 /nfs/dbraw/zinc/57/15/79/1001571579.db2.gz SZTNQEVKJDADJA-YUMQZZPRSA-N -1 0 323.353 -0.094 20 0 DBADRM COC[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001591394116 1016508038 /nfs/dbraw/zinc/50/80/38/1016508038.db2.gz MQDFKWCBMVKTIM-MRVPVSSYSA-N -1 0 321.341 -0.884 20 0 DBADRM CC[C@@](COC)([N-]S(=O)(=O)C[C@H]1CCOC1)C(=O)OC ZINC001424161060 1001587712 /nfs/dbraw/zinc/58/77/12/1001587712.db2.gz ZQEXCWTXTBHUFM-JQWIXIFHSA-N -1 0 309.384 -0.090 20 0 DBADRM COCC1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCCC1 ZINC001412829010 1001609255 /nfs/dbraw/zinc/60/92/55/1001609255.db2.gz OUYQVHAMKGZHJW-UHFFFAOYSA-N -1 0 306.384 -0.225 20 0 DBADRM CCCc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)no1 ZINC001412832862 1001611032 /nfs/dbraw/zinc/61/10/32/1001611032.db2.gz WFVXZKFMPIXDNK-UHFFFAOYSA-N -1 0 303.340 -0.177 20 0 DBADRM CCOC(=O)c1n[nH]c(CNC(=O)c2cn(C)nc2COC)n1 ZINC001412835723 1001611925 /nfs/dbraw/zinc/61/19/25/1001611925.db2.gz FUXSNZYMEZJZSM-UHFFFAOYSA-N -1 0 322.325 -0.209 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)[C@H]2CCc3nncn3C2)n[n-]1 ZINC001412843562 1001616642 /nfs/dbraw/zinc/61/66/42/1001616642.db2.gz SZDGZYWJSPZFEV-LURJTMIESA-N -1 0 311.327 -0.999 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CCn2ccnc2C1 ZINC001412851301 1001619771 /nfs/dbraw/zinc/61/97/71/1001619771.db2.gz JXYPZBVUWGAESA-SECBINFHSA-N -1 0 306.326 -0.203 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001412856168 1001623662 /nfs/dbraw/zinc/62/36/62/1001623662.db2.gz PFCBSFQHZXKINQ-DTWKUNHWSA-N -1 0 310.383 -0.125 20 0 DBADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1C[C@@H](CO)[C@H](CO)C1 ZINC001412867063 1001627726 /nfs/dbraw/zinc/62/77/26/1001627726.db2.gz UOBOCYMZKDIAOO-RYUDHWBXSA-N -1 0 319.317 -0.297 20 0 DBADRM COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)CCO2 ZINC001412871471 1001630334 /nfs/dbraw/zinc/63/03/34/1001630334.db2.gz QSRPNTXMQCEXQF-DMWDQNTBSA-N -1 0 310.310 -0.259 20 0 DBADRM O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001412888389 1001636308 /nfs/dbraw/zinc/63/63/08/1001636308.db2.gz VQGMSQKJYBIPSO-RKDXNWHRSA-N -1 0 314.367 -0.349 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001412897120 1001639185 /nfs/dbraw/zinc/63/91/85/1001639185.db2.gz KSZNMACMZVEGEU-CYBMUJFWSA-N -1 0 309.326 -0.792 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2CO[C@H](C3CC3)C2)c(=O)[nH]c1=O ZINC001424449504 1001643335 /nfs/dbraw/zinc/64/33/35/1001643335.db2.gz JSQQELRXAMAFFR-IUCAKERBSA-N -1 0 315.351 -0.668 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)CCC(F)F)c1[O-] ZINC001412906609 1001643266 /nfs/dbraw/zinc/64/32/66/1001643266.db2.gz RKIBEHOYEVGFDU-ZETCQYMHSA-N -1 0 320.296 -0.324 20 0 DBADRM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1cn[nH]n1)c1ccccc1 ZINC001412931636 1001653644 /nfs/dbraw/zinc/65/36/44/1001653644.db2.gz ZKSICFQJHKNINW-JQWIXIFHSA-N -1 0 317.349 -0.185 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1COCC[C@H]1O ZINC001424545805 1001658454 /nfs/dbraw/zinc/65/84/54/1001658454.db2.gz HMHDBDPZNYFALN-CXNNERTKSA-N -1 0 314.429 -0.133 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001591417676 1016516046 /nfs/dbraw/zinc/51/60/46/1016516046.db2.gz JVMBMVGKXGBNJU-MWLCHTKSSA-N -1 0 307.368 -0.337 20 0 DBADRM C[C@H](Cc1cnn(C)c1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412964789 1001668600 /nfs/dbraw/zinc/66/86/00/1001668600.db2.gz FGFNKQYQDMBORR-SECBINFHSA-N -1 0 308.342 -0.050 20 0 DBADRM CC(F)(F)C1(C(=O)NC[C@@H](CO)NC(=O)c2cn[nH]n2)CC1 ZINC001412993108 1001678218 /nfs/dbraw/zinc/67/82/18/1001678218.db2.gz GTLTYIFEPNJNBE-ZETCQYMHSA-N -1 0 317.296 -0.553 20 0 DBADRM COc1ccc([C@@]2(C(=O)Nn3c(=O)[n-][nH]c3=O)C[C@@H](O)C2)cc1 ZINC001413026946 1001687112 /nfs/dbraw/zinc/68/71/12/1001687112.db2.gz KCNBYLWBYUIMDY-KMHCFJFGSA-N -1 0 320.305 -0.139 20 0 DBADRM O=C(c1c[n-]ncc1=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC001413069694 1001695480 /nfs/dbraw/zinc/69/54/80/1001695480.db2.gz FSYOYSGEPVRKIU-ONGXEEELSA-N -1 0 313.335 -0.790 20 0 DBADRM COCCCC(=O)NC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001591406249 1016513220 /nfs/dbraw/zinc/51/32/20/1016513220.db2.gz VNEDAQLFILXGSF-VIFPVBQESA-N -1 0 320.357 -0.578 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)N(C)Cc3nc(=O)o[n-]3)nc2C1 ZINC001413176905 1001707683 /nfs/dbraw/zinc/70/76/83/1001707683.db2.gz CLYUWYSOAXSOQT-QMMMGPOBSA-N -1 0 307.310 -0.207 20 0 DBADRM Cn1c([O-])nnc1CNC(=O)c1cnc2n(c1=O)CCS2 ZINC001413195901 1001712942 /nfs/dbraw/zinc/71/29/42/1001712942.db2.gz JTSVXULOSYYUFR-UHFFFAOYSA-N -1 0 308.323 -0.887 20 0 DBADRM COCCOC(=O)N(C)Cn1cc(-c2nnn[n-]2)ccc1=O ZINC001591431463 1016520754 /nfs/dbraw/zinc/52/07/54/1016520754.db2.gz NRUOZESMFBDYHU-UHFFFAOYSA-N -1 0 308.298 -0.299 20 0 DBADRM Cn1cc(C2=CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)cn1 ZINC001413275754 1001799988 /nfs/dbraw/zinc/79/99/88/1001799988.db2.gz YJNLKFGNOBXGDG-UHFFFAOYSA-N -1 0 302.294 -0.054 20 0 DBADRM C[C@@H]1CCCC[C@]12CC(=O)NN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001413275265 1001800318 /nfs/dbraw/zinc/80/03/18/1001800318.db2.gz FKNNYBMBKPMXCE-OQPBUACISA-N -1 0 309.326 -0.098 20 0 DBADRM C[C@H](NS(=O)(=O)c1nncn1C)C(=O)NCc1ccccc1 ZINC001413278095 1001800541 /nfs/dbraw/zinc/80/05/41/1001800541.db2.gz DAFYOMRKLJXTDA-JTQLQIEISA-N -1 0 323.378 -0.202 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@H](O)C1CCC1)C(=O)[O-] ZINC001591453509 1016530790 /nfs/dbraw/zinc/53/07/90/1016530790.db2.gz LCMYFCXOXTWXKL-CMPLNLGQSA-N -1 0 300.355 -0.121 20 0 DBADRM COCCOCCCCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001591438198 1016527303 /nfs/dbraw/zinc/52/73/03/1016527303.db2.gz LYIVRWZOWFATSV-UHFFFAOYSA-N -1 0 324.345 -0.982 20 0 DBADRM CCC(=O)NC[C@@H](C1CC1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001424929109 1001813952 /nfs/dbraw/zinc/81/39/52/1001813952.db2.gz SZYSNVDNONOVKZ-QMMMGPOBSA-N -1 0 309.326 -0.340 20 0 DBADRM CCn1ccc(CC(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001424944966 1001815731 /nfs/dbraw/zinc/81/57/31/1001815731.db2.gz XFYNGMKIWKDHSU-SNVBAGLBSA-N -1 0 321.385 -0.094 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCC(=O)N(C)c2nnn[n-]2)cc1 ZINC001413327078 1001815906 /nfs/dbraw/zinc/81/59/06/1001815906.db2.gz ODKNWTUEAICJRH-UHFFFAOYSA-N -1 0 324.366 -0.160 20 0 DBADRM CCS(=O)(=O)NCc1ccc(C(=O)N(C)c2nnn[n-]2)cc1 ZINC001413329636 1001816892 /nfs/dbraw/zinc/81/68/92/1001816892.db2.gz WKQWERVGZBFIHJ-UHFFFAOYSA-N -1 0 324.366 -0.084 20 0 DBADRM CN1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC001413336541 1001818037 /nfs/dbraw/zinc/81/80/37/1001818037.db2.gz YKVCPZNFXFKVQB-JMSVASOKSA-N -1 0 316.365 -0.140 20 0 DBADRM CC(C)CC(=O)N(C)C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001424965355 1001818383 /nfs/dbraw/zinc/81/83/83/1001818383.db2.gz XPBKXOZOUWJLSX-SECBINFHSA-N -1 0 313.358 -0.302 20 0 DBADRM C[C@H](CNC(=O)CCn1ccnc1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001424976772 1001820641 /nfs/dbraw/zinc/82/06/41/1001820641.db2.gz BUPKQAOEGWDOHN-SNVBAGLBSA-N -1 0 307.358 -0.266 20 0 DBADRM C[NH+](C)CCCS(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001413351190 1001823119 /nfs/dbraw/zinc/82/31/19/1001823119.db2.gz HHKXEQCRRWHSKZ-JTQLQIEISA-N -1 0 317.415 -0.029 20 0 DBADRM C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001413351232 1001823137 /nfs/dbraw/zinc/82/31/37/1001823137.db2.gz HHKXEQCRRWHSKZ-SNVBAGLBSA-N -1 0 317.415 -0.029 20 0 DBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001413350024 1001823393 /nfs/dbraw/zinc/82/33/93/1001823393.db2.gz FGPOTDYWXFFODO-JTQLQIEISA-N -1 0 306.315 -0.348 20 0 DBADRM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001413365389 1001828060 /nfs/dbraw/zinc/82/80/60/1001828060.db2.gz JOSDXSBMDCCHSS-VIFPVBQESA-N -1 0 314.385 -0.993 20 0 DBADRM COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001413365387 1001828215 /nfs/dbraw/zinc/82/82/15/1001828215.db2.gz JOSDXSBMDCCHSS-SECBINFHSA-N -1 0 314.385 -0.993 20 0 DBADRM COCc1nocc1C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001425029972 1001829845 /nfs/dbraw/zinc/82/98/45/1001829845.db2.gz JTHZXFMAHWEJON-QMMMGPOBSA-N -1 0 324.341 -0.105 20 0 DBADRM Nc1nc(C2CC2)ncc1C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001413385686 1001835130 /nfs/dbraw/zinc/83/51/30/1001835130.db2.gz IXVUMTYRXQRNJB-VIFPVBQESA-N -1 0 316.325 -0.337 20 0 DBADRM COC(=O)c1coc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)c1 ZINC001413390539 1001835639 /nfs/dbraw/zinc/83/56/39/1001835639.db2.gz XTCALFFPDWNTNN-QMMMGPOBSA-N -1 0 307.266 -0.207 20 0 DBADRM CCOC(=O)[C@@]1(C)CN(S(=O)(=O)c2ncc[n-]2)CCO1 ZINC001413419341 1001842608 /nfs/dbraw/zinc/84/26/08/1001842608.db2.gz SKEILBDSZSGERT-LLVKDONJSA-N -1 0 303.340 -0.248 20 0 DBADRM COC(=O)C1=NO[C@@]2(CCN(C(=O)c3c[n-]ncc3=O)C2)C1 ZINC001413424442 1001844167 /nfs/dbraw/zinc/84/41/67/1001844167.db2.gz DHZGXGHZNZDYED-ZDUSSCGKSA-N -1 0 306.278 -0.284 20 0 DBADRM O=C1N=NC(CNS(=O)(=O)C[C@@H]2CCCO2)N1C1CC1 ZINC001413424593 1001844196 /nfs/dbraw/zinc/84/41/96/1001844196.db2.gz NGGMUOWXYJKWCA-VIFPVBQESA-N -1 0 302.356 -0.083 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001413429586 1001847037 /nfs/dbraw/zinc/84/70/37/1001847037.db2.gz CEBVVGRGKVCPQH-HTRCEHHLSA-N -1 0 307.262 -0.323 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)OC)C(C)C)on1 ZINC001413433747 1001847495 /nfs/dbraw/zinc/84/74/95/1001847495.db2.gz CMIXZHHVTLFEGU-SECBINFHSA-N -1 0 320.323 -0.063 20 0 DBADRM CN1C[C@@H](C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)CC1=O ZINC001413452478 1001851160 /nfs/dbraw/zinc/85/11/60/1001851160.db2.gz AKBABGFSCHZFRQ-QMMMGPOBSA-N -1 0 306.322 -0.651 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001413452663 1001851726 /nfs/dbraw/zinc/85/17/26/1001851726.db2.gz BLGFTMSACYOGDF-JGVFFNPUSA-N -1 0 307.306 -0.320 20 0 DBADRM O=C1NC[C@H](O)CC12CCN(S(=O)(=O)c1ncc[n-]1)CC2 ZINC001413461442 1001854297 /nfs/dbraw/zinc/85/42/97/1001854297.db2.gz RQFQCYBXHIZUIN-SECBINFHSA-N -1 0 314.367 -0.939 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N=c2nn[n-]n2C)cc1 ZINC001433446050 1001856240 /nfs/dbraw/zinc/85/62/40/1001856240.db2.gz KJBDRZNACDHSAW-UHFFFAOYSA-N -1 0 310.339 -0.865 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN(Cc2ccno2)CC1 ZINC001413472996 1001858005 /nfs/dbraw/zinc/85/80/05/1001858005.db2.gz VUTBTOFNCYCNAX-UHFFFAOYSA-N -1 0 324.366 -0.065 20 0 DBADRM O=C(NCC[C@@H]1CCCS1(=O)=O)c1c[n-]n2c1nccc2=O ZINC001413475205 1001858826 /nfs/dbraw/zinc/85/88/26/1001858826.db2.gz CKCGGSWUPOWGJF-VIFPVBQESA-N -1 0 324.362 -0.280 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC(Cc2nn[nH]n2)CC1 ZINC001413502398 1001863507 /nfs/dbraw/zinc/86/35/07/1001863507.db2.gz CTDPKJOCRBSDBT-UHFFFAOYSA-N -1 0 324.370 -0.403 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC1(CF)CCOCC1 ZINC001433490261 1001865579 /nfs/dbraw/zinc/86/55/79/1001865579.db2.gz WTBVWIRPZYJZRP-UHFFFAOYSA-N -1 0 309.301 -0.294 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)CCCc2nnn[n-]2)CC12COC2 ZINC001413525448 1001869528 /nfs/dbraw/zinc/86/95/28/1001869528.db2.gz AXINDBKDCCUELU-SNVBAGLBSA-N -1 0 323.353 -0.440 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001413522592 1001870558 /nfs/dbraw/zinc/87/05/58/1001870558.db2.gz GBJILTJYCHGCCD-UTLUCORTSA-N -1 0 312.326 -0.610 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCOC[C@H]2O)cn1 ZINC001413528048 1001871815 /nfs/dbraw/zinc/87/18/15/1001871815.db2.gz VUBIENCYMWKHPP-NXEZZACHSA-N -1 0 315.351 -0.667 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)Nc1cn(C)nn1)C(=O)[O-] ZINC001591458425 1016532788 /nfs/dbraw/zinc/53/27/88/1016532788.db2.gz GUFDMYSVTRSRHQ-QMMMGPOBSA-N -1 0 312.330 -0.448 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N(C)c2nnn[n-]2)o1 ZINC001433525634 1001873929 /nfs/dbraw/zinc/87/39/29/1001873929.db2.gz YMJOJTYYAJVJGI-UHFFFAOYSA-N -1 0 300.300 -0.680 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001413566366 1001880278 /nfs/dbraw/zinc/88/02/78/1001880278.db2.gz IXJQXKYAMIJWNX-GZMMTYOYSA-N -1 0 314.371 -0.987 20 0 DBADRM NC(=O)c1cccc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)n1 ZINC001413563349 1001880295 /nfs/dbraw/zinc/88/02/95/1001880295.db2.gz SEECXBMFADUYEJ-VIFPVBQESA-N -1 0 315.337 -0.212 20 0 DBADRM NC(=O)c1cccc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)n1 ZINC001413563346 1001881100 /nfs/dbraw/zinc/88/11/00/1001881100.db2.gz SEECXBMFADUYEJ-SECBINFHSA-N -1 0 315.337 -0.212 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NN1CCc2ccccc2C1=O ZINC001413567957 1001881420 /nfs/dbraw/zinc/88/14/20/1001881420.db2.gz MJNXFGMOHXMTGE-UHFFFAOYSA-N -1 0 301.310 -0.150 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCCc2c1cnn2CCO ZINC001413568913 1001881496 /nfs/dbraw/zinc/88/14/96/1001881496.db2.gz SQOWIOZRQFMPGV-SNVBAGLBSA-N -1 0 320.357 -0.497 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(c2nncn2C)CC1 ZINC001413568592 1001881526 /nfs/dbraw/zinc/88/15/26/1001881526.db2.gz QCMZXFSWHLVHJB-UHFFFAOYSA-N -1 0 305.346 -0.345 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@H](CCNC(C)=O)C1 ZINC001413570050 1001881806 /nfs/dbraw/zinc/88/18/06/1001881806.db2.gz XZWFATLERQNQOF-LLVKDONJSA-N -1 0 309.374 -0.115 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1)S(C)(=O)=O ZINC001413567562 1001882058 /nfs/dbraw/zinc/88/20/58/1001882058.db2.gz ZCMKCYUHCGXTEX-DTWKUNHWSA-N -1 0 301.372 -0.586 20 0 DBADRM Cc1cc(CCNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)nn1C ZINC001433553768 1001883063 /nfs/dbraw/zinc/88/30/63/1001883063.db2.gz APOSTDSYHOIIRJ-UHFFFAOYSA-N -1 0 315.337 -0.528 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC001413570740 1001883164 /nfs/dbraw/zinc/88/31/64/1001883164.db2.gz ZVWLPAKODDGNMS-BDAKNGLRSA-N -1 0 300.363 -0.606 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[C@H](NC(=O)c3c[n-]ncc3=O)C2)n1 ZINC001413570438 1001883624 /nfs/dbraw/zinc/88/36/24/1001883624.db2.gz LQIMVAPQIOQPCR-VIFPVBQESA-N -1 0 316.321 -0.005 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1OC ZINC001591467391 1016534186 /nfs/dbraw/zinc/53/41/86/1016534186.db2.gz MUHVTYSJEQKWAQ-UHFFFAOYSA-N -1 0 321.297 -0.326 20 0 DBADRM O=C(N[C@H](CO)C[C@H]1CCCO1)c1c[n-]n2c1nccc2=O ZINC001413583674 1001885753 /nfs/dbraw/zinc/88/57/53/1001885753.db2.gz PISGKRFZIZOZPD-VHSXEESVSA-N -1 0 306.322 -0.318 20 0 DBADRM CN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC001433589177 1001892322 /nfs/dbraw/zinc/89/23/22/1001892322.db2.gz NUTAEZNAEVTKIK-ZCFIWIBFSA-N -1 0 306.369 -0.752 20 0 DBADRM CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)CCc1nnn[n-]1 ZINC001433593443 1001893360 /nfs/dbraw/zinc/89/33/60/1001893360.db2.gz AGLRGLNPDCVQAJ-BDAKNGLRSA-N -1 0 312.399 -0.052 20 0 DBADRM CC1N=NC(C(=O)Nc2ccn(CCN3CC[NH+]=C3[O-])n2)=C1[O-] ZINC001413629411 1001894653 /nfs/dbraw/zinc/89/46/53/1001894653.db2.gz VSTLGOFTGZCVEE-UHFFFAOYSA-N -1 0 319.325 -0.102 20 0 DBADRM O=C(NCc1nc2c(s1)COCC2)c1n[nH]c(=O)[n-]c1=O ZINC001413635573 1001895292 /nfs/dbraw/zinc/89/52/92/1001895292.db2.gz RGZCIDYPHBTEDZ-UHFFFAOYSA-N -1 0 309.307 -0.258 20 0 DBADRM CO[C@@H]1CN(C(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)C[C@H]1O ZINC001591468353 1016535695 /nfs/dbraw/zinc/53/56/95/1016535695.db2.gz YGEHVYPSRNLSEJ-RKDXNWHRSA-N -1 0 320.309 -0.893 20 0 DBADRM Cn1nnc(NC(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)n1 ZINC001413635999 1001896011 /nfs/dbraw/zinc/89/60/11/1001896011.db2.gz WYLPNFRMOPTKSX-SECBINFHSA-N -1 0 321.263 -0.115 20 0 DBADRM O=C(CNC(=O)c1n[nH]c(=O)[n-]c1=O)NCCc1ccccc1 ZINC001433617364 1001899268 /nfs/dbraw/zinc/89/92/68/1001899268.db2.gz XUBDLGPPTBNGJV-UHFFFAOYSA-N -1 0 317.305 -0.629 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1cc(=O)[nH]cn1)C(=O)[O-] ZINC001591463025 1016536792 /nfs/dbraw/zinc/53/67/92/1016536792.db2.gz BALGOBBAHIRFLW-VIFPVBQESA-N -1 0 310.310 -0.473 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001591466994 1016537225 /nfs/dbraw/zinc/53/72/25/1016537225.db2.gz GBKGXMPHVVLRIE-UHFFFAOYSA-N -1 0 323.288 -0.517 20 0 DBADRM CC(C)Cc1cc(C(=O)NCC(=O)NCC(=O)[O-])cc(=O)[nH]1 ZINC001591476180 1016540447 /nfs/dbraw/zinc/54/04/47/1016540447.db2.gz RYXODGGAVGUFRQ-UHFFFAOYSA-N -1 0 309.322 -0.084 20 0 DBADRM COc1ccc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)cc1 ZINC001591572266 1016548284 /nfs/dbraw/zinc/54/82/84/1016548284.db2.gz DEQZVZGMALXUDQ-UHFFFAOYSA-N -1 0 314.309 -0.103 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)CC(F)(F)F)c1[O-] ZINC001425320524 1001947453 /nfs/dbraw/zinc/94/74/53/1001947453.db2.gz PLSUAYVBFWIAJF-ZCFIWIBFSA-N -1 0 324.259 -0.417 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433698395 1001978918 /nfs/dbraw/zinc/97/89/18/1001978918.db2.gz KVUAEXRHEABZHG-RITPCOANSA-N -1 0 304.328 -0.824 20 0 DBADRM CC(C)Cn1cc(NC(=O)C(=O)NCCOCC(=O)[O-])cn1 ZINC001591523049 1016545141 /nfs/dbraw/zinc/54/51/41/1016545141.db2.gz ILTMHVAVTSKZFY-UHFFFAOYSA-N -1 0 312.326 -0.305 20 0 DBADRM COC[C@@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CCO1 ZINC001433707923 1001986870 /nfs/dbraw/zinc/98/68/70/1001986870.db2.gz BHNCZZBVMSBSJC-LBPRGKRZSA-N -1 0 318.337 -0.438 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)Cn2ccc(C(=O)[O-])n2)C1=O ZINC001591604127 1016552380 /nfs/dbraw/zinc/55/23/80/1016552380.db2.gz JANUPNSEQBXGLD-SECBINFHSA-N -1 0 308.294 -0.767 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)CNC(=O)C1CC1 ZINC001413772862 1002001548 /nfs/dbraw/zinc/00/15/48/1002001548.db2.gz RBGOXONNLIDWNW-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(C)N(C[C@@H](O)CO)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001591573578 1016553028 /nfs/dbraw/zinc/55/30/28/1016553028.db2.gz MJEBQMDPIBUGMX-SECBINFHSA-N -1 0 318.351 -0.468 20 0 DBADRM C[C@@H](CC[S@@](C)=O)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001433732905 1002003303 /nfs/dbraw/zinc/00/33/03/1002003303.db2.gz KGKZRAMZYHDFEO-FFVOIRBGSA-N -1 0 304.372 -0.257 20 0 DBADRM CC(C)N1C[C@@H](n2nnnc2N2CC[C@H](C(=O)[O-])C2)CC1=O ZINC001591610432 1016553536 /nfs/dbraw/zinc/55/35/36/1016553536.db2.gz DIFHBEWCWSOXNS-UWVGGRQHSA-N -1 0 308.342 -0.234 20 0 DBADRM CC(C)N1C[C@H](N2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)CC1=O ZINC001591609872 1016554027 /nfs/dbraw/zinc/55/40/27/1016554027.db2.gz BIGJEOPEKNONNH-CDLYGTGVSA-N -1 0 309.322 -0.363 20 0 DBADRM CCOC(=O)c1cc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cn1C ZINC001433747327 1002009615 /nfs/dbraw/zinc/00/96/15/1002009615.db2.gz UOUGCIANTCDYJH-UHFFFAOYSA-N -1 0 309.282 -0.157 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)Nc2c(C(=O)[O-])cnn2C)C1=O ZINC001591603919 1016554268 /nfs/dbraw/zinc/55/42/68/1016554268.db2.gz BFVHGRQOAFZWLH-MRVPVSSYSA-N -1 0 323.309 -0.224 20 0 DBADRM CCOC(=O)CN1CCCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001433762086 1002016185 /nfs/dbraw/zinc/01/61/85/1002016185.db2.gz QOVJFNBKSOAIOT-UHFFFAOYSA-N -1 0 310.358 -0.770 20 0 DBADRM CCC[C@H](NC(=O)CCS(=O)(=O)N(C)C)c1nnn[n-]1 ZINC001433761682 1002016708 /nfs/dbraw/zinc/01/67/08/1002016708.db2.gz SVOVVSUDQFHLBJ-QMMMGPOBSA-N -1 0 304.376 -0.561 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2c[n-]ncc2=O)C(=O)N1c1cnn(C)c1 ZINC001433763600 1002018763 /nfs/dbraw/zinc/01/87/63/1002018763.db2.gz ZWJMYUCOXKYPOJ-LDYMZIIASA-N -1 0 316.321 -0.161 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2c[n-]ncc2=O)C(=O)N1c1cnn(C)c1 ZINC001433763598 1002020258 /nfs/dbraw/zinc/02/02/58/1002020258.db2.gz ZWJMYUCOXKYPOJ-KCJUWKMLSA-N -1 0 316.321 -0.161 20 0 DBADRM CC(C)NC(=O)[C@@H](C)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001591635771 1016556289 /nfs/dbraw/zinc/55/62/89/1016556289.db2.gz QLLXMQDVIDMVQC-OPRDCNLKSA-N -1 0 301.343 -0.312 20 0 DBADRM CC(C)NC(=O)CCNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001591639284 1016557159 /nfs/dbraw/zinc/55/71/59/1016557159.db2.gz BIPXLJKYSSIUGW-ZJUUUORDSA-N -1 0 301.343 -0.215 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1=O ZINC001591616605 1016557731 /nfs/dbraw/zinc/55/77/31/1016557731.db2.gz IKDMHBJRHWZLLA-VWYCJHECSA-N -1 0 313.354 -0.121 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)C(=O)NCCCCC(=O)[O-])C1=O ZINC001591617160 1016557775 /nfs/dbraw/zinc/55/77/75/1016557775.db2.gz XXTJVVWQBJEZRR-SNVBAGLBSA-N -1 0 313.354 -0.517 20 0 DBADRM CC(C)NC(=O)CCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001591639737 1016558121 /nfs/dbraw/zinc/55/81/21/1016558121.db2.gz LVPOCYDMEJIQRI-JTQLQIEISA-N -1 0 313.354 -0.660 20 0 DBADRM COCCC(=O)N1CCC(NC(=O)CCc2nnn[n-]2)CC1 ZINC001433808800 1002040147 /nfs/dbraw/zinc/04/01/47/1002040147.db2.gz RYDGFMLRBQTLAF-UHFFFAOYSA-N -1 0 310.358 -0.724 20 0 DBADRM CS[C@H](CO)[C@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001433812662 1002043800 /nfs/dbraw/zinc/04/38/00/1002043800.db2.gz UVFYEHZISRORSD-JGVFFNPUSA-N -1 0 304.372 -0.302 20 0 DBADRM COc1ccccc1CNC(=O)Cn1cnnc1-c1nnn[n-]1 ZINC001591650455 1016559703 /nfs/dbraw/zinc/55/97/03/1016559703.db2.gz QRBVRARECRJGCB-UHFFFAOYSA-N -1 0 314.309 -0.217 20 0 DBADRM COCC(=O)NCC1(NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC001433818912 1002047610 /nfs/dbraw/zinc/04/76/10/1002047610.db2.gz QEJOSVPGKGYSLO-UHFFFAOYSA-N -1 0 320.305 -0.047 20 0 DBADRM Cn1nccc1[C@H](O)C1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC001413866642 1002048246 /nfs/dbraw/zinc/04/82/46/1002048246.db2.gz PNANOGLXKQMMIO-SNVBAGLBSA-N -1 0 306.326 -0.170 20 0 DBADRM CC(C)NC(=O)NCCN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001591652846 1016560583 /nfs/dbraw/zinc/56/05/83/1016560583.db2.gz OKQODAJTKXWBLD-SNVBAGLBSA-N -1 0 300.359 -0.641 20 0 DBADRM CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001591647440 1016561189 /nfs/dbraw/zinc/56/11/89/1016561189.db2.gz MVXZRGBJOOKMRN-HRDYMLBCSA-N -1 0 316.310 -0.216 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@]1(O)CCc2ccccc21 ZINC001433832883 1002058979 /nfs/dbraw/zinc/05/89/79/1002058979.db2.gz PBXFREBSYLRAQD-CQSZACIVSA-N -1 0 304.306 -0.361 20 0 DBADRM Cn1nnc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)n1 ZINC001433846733 1002066221 /nfs/dbraw/zinc/06/62/21/1002066221.db2.gz KBBLHNQNILQUPJ-UHFFFAOYSA-N -1 0 314.302 -0.027 20 0 DBADRM COc1ncccc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591668683 1016564267 /nfs/dbraw/zinc/56/42/67/1016564267.db2.gz NQOBIOBKZUZIAI-UHFFFAOYSA-N -1 0 315.297 -0.708 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001591671146 1016564367 /nfs/dbraw/zinc/56/43/67/1016564367.db2.gz HWZKVNULTMNFJC-MRVPVSSYSA-N -1 0 309.355 -0.472 20 0 DBADRM CC(C)NS(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001591667062 1016564628 /nfs/dbraw/zinc/56/46/28/1016564628.db2.gz ZUDBFHJOIVNPFR-UHFFFAOYSA-N -1 0 305.356 -0.075 20 0 DBADRM C[C@H](O)[C@H]1CCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001433856852 1002074838 /nfs/dbraw/zinc/07/48/38/1002074838.db2.gz RLXPCAOWBDYHEW-GXSJLCMTSA-N -1 0 305.338 -0.167 20 0 DBADRM CN(Cc1ncon1)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001433869632 1002084089 /nfs/dbraw/zinc/08/40/89/1002084089.db2.gz MCTYPRMURGQXAX-UHFFFAOYSA-N -1 0 312.307 -0.305 20 0 DBADRM COCC1(O)CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001433874429 1002085052 /nfs/dbraw/zinc/08/50/52/1002085052.db2.gz JDXNMOQRFWXGPV-UHFFFAOYSA-N -1 0 306.322 -0.364 20 0 DBADRM CC(C)OC(=O)COC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001591675622 1016567483 /nfs/dbraw/zinc/56/74/83/1016567483.db2.gz FFGYZQYGODARSU-SECBINFHSA-N -1 0 301.295 -0.196 20 0 DBADRM COCCn1nc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)ccc1=O ZINC001433891527 1002098111 /nfs/dbraw/zinc/09/81/11/1002098111.db2.gz OTJFPIPVKZDXDU-VIFPVBQESA-N -1 0 321.341 -0.722 20 0 DBADRM CCc1ocnc1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597824768 1017209822 /nfs/dbraw/zinc/20/98/22/1017209822.db2.gz QOPJBTGACVJGSZ-DTWKUNHWSA-N -1 0 307.306 -0.102 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@]12CCO[C@@H]1CCCC2 ZINC001433903450 1002104203 /nfs/dbraw/zinc/10/42/03/1002104203.db2.gz HQCKBJMEQXSGRS-ZWNOBZJWSA-N -1 0 318.395 -0.082 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCC[C@H](OCCO)C1 ZINC001433907813 1002105814 /nfs/dbraw/zinc/10/58/14/1002105814.db2.gz XRZNLICYMXMLJK-JTQLQIEISA-N -1 0 306.322 -0.364 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCc1cccc(O)c1 ZINC001433906395 1002107095 /nfs/dbraw/zinc/10/70/95/1002107095.db2.gz ODKJNHRSLLKKCF-UHFFFAOYSA-N -1 0 314.363 -0.093 20 0 DBADRM C[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)[C@@H](C(N)=O)C1 ZINC001433925439 1002119894 /nfs/dbraw/zinc/11/98/94/1002119894.db2.gz KNEGBWAFWHJBDM-WCBMZHEXSA-N -1 0 303.322 -0.251 20 0 DBADRM Cc1nc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c(=O)[nH]c1C ZINC001433929325 1002122716 /nfs/dbraw/zinc/12/27/16/1002122716.db2.gz FHBCIXNNVPNVNP-SECBINFHSA-N -1 0 303.326 -0.080 20 0 DBADRM O=C(CCn1ccccc1=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001433936261 1002123396 /nfs/dbraw/zinc/12/33/96/1002123396.db2.gz FENHQGRCHBYUNY-UHFFFAOYSA-N -1 0 318.337 -0.738 20 0 DBADRM CCN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@H]1CCNC1=O ZINC001433936409 1002123531 /nfs/dbraw/zinc/12/35/31/1002123531.db2.gz PHTMUUKHOCCZDX-NSHDSACASA-N -1 0 315.337 -0.575 20 0 DBADRM CCCc1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)[nH]n1 ZINC001433937774 1002127158 /nfs/dbraw/zinc/12/71/58/1002127158.db2.gz QHINDXRKWXBIQU-UHFFFAOYSA-N -1 0 305.342 -0.001 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001433942738 1002129448 /nfs/dbraw/zinc/12/94/48/1002129448.db2.gz IWCKRXZMEXGJEH-SECBINFHSA-N -1 0 314.367 -0.349 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001433947308 1002130774 /nfs/dbraw/zinc/13/07/74/1002130774.db2.gz OTLMQIOJHJWZKI-ZETCQYMHSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC2(CCOCC2)O1 ZINC001433958033 1002136199 /nfs/dbraw/zinc/13/61/99/1002136199.db2.gz GZFZUDPTUWYHSB-SECBINFHSA-N -1 0 312.326 -0.514 20 0 DBADRM CCN(CC(N)=O)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001433967241 1002139957 /nfs/dbraw/zinc/13/99/57/1002139957.db2.gz OLRPXSDAADIIGD-UHFFFAOYSA-N -1 0 305.294 -0.786 20 0 DBADRM CS[C@H](C)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591688982 1016574542 /nfs/dbraw/zinc/57/45/42/1016574542.db2.gz HGNWKUNUEWFEFP-SSDOTTSWSA-N -1 0 311.375 -0.491 20 0 DBADRM CS[C@@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001591693321 1016576181 /nfs/dbraw/zinc/57/61/81/1016576181.db2.gz JXIJPMKDGRNQFG-SSDOTTSWSA-N -1 0 323.382 -0.794 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CN1C(=O)CCC1=O ZINC001591703604 1016577276 /nfs/dbraw/zinc/57/72/76/1016577276.db2.gz FKKCUAZIMBWTKY-VIFPVBQESA-N -1 0 300.311 -0.528 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001591703696 1016578217 /nfs/dbraw/zinc/57/82/17/1016578217.db2.gz HPUPNTQEBAFVIV-SNVBAGLBSA-N -1 0 307.368 -0.242 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001434013755 1002168832 /nfs/dbraw/zinc/16/88/32/1002168832.db2.gz NZDOVZSWMFYETC-YUMQZZPRSA-N -1 0 301.347 -0.143 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001434037228 1002184594 /nfs/dbraw/zinc/18/45/94/1002184594.db2.gz FCUOZVDFMBVUPM-UHLUBPPHSA-N -1 0 301.262 -0.331 20 0 DBADRM CC(C)OCCNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001591724613 1016582447 /nfs/dbraw/zinc/58/24/47/1016582447.db2.gz BHQCNOQDIMSBHU-ZJUUUORDSA-N -1 0 302.327 -0.772 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001434054615 1002201940 /nfs/dbraw/zinc/20/19/40/1002201940.db2.gz FSNCEEFVWQEUKU-QMMMGPOBSA-N -1 0 323.353 -0.769 20 0 DBADRM CC(C)OCCNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001591724676 1016584121 /nfs/dbraw/zinc/58/41/21/1016584121.db2.gz FBDKCOBNGHRZMT-SNVBAGLBSA-N -1 0 302.327 -0.770 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)C1CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001414140014 1002216468 /nfs/dbraw/zinc/21/64/68/1002216468.db2.gz HPXFGZHIXKRZOG-VIFPVBQESA-N -1 0 309.326 -0.841 20 0 DBADRM COC(=O)[C@@H](CC1CC1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001434095233 1002242764 /nfs/dbraw/zinc/24/27/64/1002242764.db2.gz GWAVMVNIYZHSTN-SECBINFHSA-N -1 0 312.326 -0.073 20 0 DBADRM COC(=O)[C@H](CC1CC1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001434095235 1002245887 /nfs/dbraw/zinc/24/58/87/1002245887.db2.gz GWAVMVNIYZHSTN-VIFPVBQESA-N -1 0 312.326 -0.073 20 0 DBADRM CN1CC[C@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1=O ZINC001434111369 1002264674 /nfs/dbraw/zinc/26/46/74/1002264674.db2.gz JOZVIZIKWIEBAW-VIFPVBQESA-N -1 0 318.337 -0.944 20 0 DBADRM Cc1c(C(=O)Nn2c(=O)[n-][nH]c2=O)cccc1-c1nn[nH]n1 ZINC001591813606 1016596931 /nfs/dbraw/zinc/59/69/31/1016596931.db2.gz QYEWJLWIQOMOSB-UHFFFAOYSA-N -1 0 302.254 -0.438 20 0 DBADRM CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001495257238 1016593961 /nfs/dbraw/zinc/59/39/61/1016593961.db2.gz XCVIRIQGJLGCBE-QMMMGPOBSA-N -1 0 323.353 -0.093 20 0 DBADRM Cn1cc(C(=O)N[C@@H](c2nc(=O)o[n-]2)C(C)(C)C)n(C)c1=O ZINC001434119924 1002273047 /nfs/dbraw/zinc/27/30/47/1002273047.db2.gz PYBGJWOCAALMDE-QMMMGPOBSA-N -1 0 309.326 -0.083 20 0 DBADRM CC(=O)N[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CCCC1 ZINC001434133753 1002281755 /nfs/dbraw/zinc/28/17/55/1002281755.db2.gz PGOAMVGYCQXTNE-JTQLQIEISA-N -1 0 311.342 -0.500 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ncc[n-]1 ZINC001414252899 1002283924 /nfs/dbraw/zinc/28/39/24/1002283924.db2.gz XPGBWVWTLMIRGU-BDAKNGLRSA-N -1 0 322.412 -0.594 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@H](CO)[N-]S(=O)(=O)N=S(C)(C)=O ZINC001414254215 1002289079 /nfs/dbraw/zinc/28/90/79/1002289079.db2.gz ABMYOQAZVVOESO-BDAKNGLRSA-N -1 0 316.445 -0.294 20 0 DBADRM O=c1nc(CCNS(=O)(=O)c2cnc3n2CCCC3)[n-]o1 ZINC001414266452 1002295288 /nfs/dbraw/zinc/29/52/88/1002295288.db2.gz SEEZWGUOTCBFAN-UHFFFAOYSA-N -1 0 313.339 -0.583 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001414267829 1002295563 /nfs/dbraw/zinc/29/55/63/1002295563.db2.gz CFBJPYMBGWWSHU-JTQLQIEISA-N -1 0 312.355 -0.481 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(Cc2ccnc(F)c2)c(=O)n1C ZINC001591795559 1016598885 /nfs/dbraw/zinc/59/88/85/1016598885.db2.gz XPGOWINCZRXVBV-UHFFFAOYSA-N -1 0 317.284 -0.382 20 0 DBADRM CCC(=O)NCc1nc(CNC(=O)[C@H](C)NC(C)=O)cc(=O)[nH]1 ZINC001414268916 1002300923 /nfs/dbraw/zinc/30/09/23/1002300923.db2.gz ONLKFXNBVWXEKP-QMMMGPOBSA-N -1 0 323.353 -0.651 20 0 DBADRM CC(C)[C@@H](O)C(=O)NCC1CC(Nc2ccnc(C(=O)[O-])n2)C1 ZINC001591845807 1016600194 /nfs/dbraw/zinc/60/01/94/1016600194.db2.gz APJZAGVTUYASBH-RTYFJBAXSA-N -1 0 322.365 -0.080 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1C[C@H](C)[C@H](O)C1 ZINC001591835219 1016600573 /nfs/dbraw/zinc/60/05/73/1016600573.db2.gz OYOYHJQTCKIOAM-IONNQARKSA-N -1 0 304.310 -0.271 20 0 DBADRM CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001591853963 1016600617 /nfs/dbraw/zinc/60/06/17/1016600617.db2.gz SPQUBTOXBKZBJD-WMFXKJRFSA-N -1 0 323.349 -0.021 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NO[C@@H](CO)C(C)C ZINC001591835674 1016601390 /nfs/dbraw/zinc/60/13/90/1016601390.db2.gz PMELEHDDOLUGJH-VIFPVBQESA-N -1 0 322.325 -0.046 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@H](O)C1 ZINC001591835220 1016601556 /nfs/dbraw/zinc/60/15/56/1016601556.db2.gz OYOYHJQTCKIOAM-VXNVDRBHSA-N -1 0 304.310 -0.271 20 0 DBADRM C[C@@H]1CC[C@H](NS(=O)(=O)c2nncn2C)CS1(=O)=O ZINC001414309748 1002317101 /nfs/dbraw/zinc/31/71/01/1002317101.db2.gz QGIPBCHEWCSOGO-SFYZADRCSA-N -1 0 308.385 -0.941 20 0 DBADRM CSCC[C@H](NC(=O)[C@H](O)c1cnn(C)c1)c1nnn[n-]1 ZINC001434201104 1002318307 /nfs/dbraw/zinc/31/83/07/1002318307.db2.gz ONYHAJAHZPUFCG-DTWKUNHWSA-N -1 0 311.371 -0.423 20 0 DBADRM NC(=O)CN1CCC(NS(=O)(=O)c2c[nH]nc2Cl)CC1 ZINC001414320701 1002323802 /nfs/dbraw/zinc/32/38/02/1002323802.db2.gz DUDWKNDPORVNCP-UHFFFAOYSA-N -1 0 321.790 -0.709 20 0 DBADRM COC(=O)c1ccccc1CS(=O)(=O)N[C@@H]1COC[C@@H]1O ZINC001414318786 1002324126 /nfs/dbraw/zinc/32/41/26/1002324126.db2.gz VDTRHYZLAPNZNA-NEPJUHHUSA-N -1 0 315.347 -0.348 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCN(Cc2nc[nH]n2)CC1)C(=O)[O-] ZINC001591871165 1016604506 /nfs/dbraw/zinc/60/45/06/1016604506.db2.gz VEBARTGBPHDOFP-ZDUSSCGKSA-N -1 0 324.385 -0.852 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001591868289 1016604573 /nfs/dbraw/zinc/60/45/73/1016604573.db2.gz VMZLBXJAAHJYEJ-LBPRGKRZSA-N -1 0 320.411 -0.279 20 0 DBADRM CC(C)n1nnc([N-]S(=O)(=O)C[C@H]2CN(C)CCO2)n1 ZINC001414344210 1002335587 /nfs/dbraw/zinc/33/55/87/1002335587.db2.gz XSJJXFAUTHOPLI-SECBINFHSA-N -1 0 304.376 -0.674 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)C(=O)[O-] ZINC001591867112 1016604734 /nfs/dbraw/zinc/60/47/34/1016604734.db2.gz PJOHILMHEYHXQS-PWSUYJOCSA-N -1 0 313.354 -0.262 20 0 DBADRM C[C@H](O)[C@H](O)CNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001434237792 1002336111 /nfs/dbraw/zinc/33/61/11/1002336111.db2.gz ANRMKVMDHYKYFR-POYBYMJQSA-N -1 0 324.255 -0.070 20 0 DBADRM CN(C(=O)C[C@H]1CS(=O)(=O)c2ccccc2O1)c1nnn[n-]1 ZINC001434233090 1002336176 /nfs/dbraw/zinc/33/61/76/1002336176.db2.gz XROBOQUOLHSNIP-QMMMGPOBSA-N -1 0 323.334 -0.213 20 0 DBADRM CCC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)OC ZINC001414353121 1002339931 /nfs/dbraw/zinc/33/99/31/1002339931.db2.gz ZZZACUQIDUTSIG-NTCNTBNZSA-N -1 0 315.417 -0.263 20 0 DBADRM CC(C)[C@H](NC(=O)CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001591867639 1016605665 /nfs/dbraw/zinc/60/56/65/1016605665.db2.gz SYMSPKOTTCXAER-UMNHJUIQSA-N -1 0 322.427 -0.035 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N2CCOC[C@@H]2c2nnn[n-]2)C1 ZINC001434274898 1002352736 /nfs/dbraw/zinc/35/27/36/1002352736.db2.gz KRQWPIAONOWXDK-NXEZZACHSA-N -1 0 308.342 -0.642 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N2CCOC[C@H]2c2nnn[n-]2)C1 ZINC001434274902 1002353750 /nfs/dbraw/zinc/35/37/50/1002353750.db2.gz KRQWPIAONOWXDK-UWVGGRQHSA-N -1 0 308.342 -0.642 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)c1ccn2nnnc2c1)C(=O)[O-] ZINC001591876297 1016609144 /nfs/dbraw/zinc/60/91/44/1016609144.db2.gz IYNHHSPKSZMQRR-NSHDSACASA-N -1 0 321.293 -0.494 20 0 DBADRM Cn1cnnc1COCC(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001434298066 1002364438 /nfs/dbraw/zinc/36/44/38/1002364438.db2.gz CRNICNCDZVSYMD-UHFFFAOYSA-N -1 0 306.330 -0.749 20 0 DBADRM CCO[C@@H]1C[C@@](O)(CNC(=O)N=c2nn[n-]n2CC)C1(C)C ZINC001414446070 1002374981 /nfs/dbraw/zinc/37/49/81/1002374981.db2.gz JFHYYPPMRQSUCW-NOZJJQNGSA-N -1 0 312.374 -0.198 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN(CC(F)F)C1 ZINC001434317753 1002374970 /nfs/dbraw/zinc/37/49/70/1002374970.db2.gz WETREQJYYDWCAC-SSDOTTSWSA-N -1 0 305.285 -0.608 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NC2CCS(=O)(=O)CC2)n1 ZINC001591893429 1016612665 /nfs/dbraw/zinc/61/26/65/1016612665.db2.gz HHNVJRTYEJDVTP-UHFFFAOYSA-N -1 0 309.355 -0.046 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N[C@H](CO)CN2CCOCC2)n1 ZINC001591891795 1016612753 /nfs/dbraw/zinc/61/27/53/1016612753.db2.gz KGRRLKUHMIQMOG-JTQLQIEISA-N -1 0 320.357 -0.930 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CC[C@]3(CNC(=O)C3)C2)n1 ZINC001591888767 1016612869 /nfs/dbraw/zinc/61/28/69/1016612869.db2.gz JPQWNRUGMILTID-ZDUSSCGKSA-N -1 0 300.326 -0.318 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001434328217 1002387592 /nfs/dbraw/zinc/38/75/92/1002387592.db2.gz RZLTYYKFGDOYNI-VIFPVBQESA-N -1 0 301.372 -0.381 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCNC(=O)CC12CCC2 ZINC001434349792 1002407233 /nfs/dbraw/zinc/40/72/33/1002407233.db2.gz IKEXZFGJIYBGAE-UHFFFAOYSA-N -1 0 323.353 -0.259 20 0 DBADRM Cc1cc(C(=O)N2CCN(C)C[C@H]2CO)ncc1-c1nn[nH]n1 ZINC001591915923 1016617272 /nfs/dbraw/zinc/61/72/72/1016617272.db2.gz SQFFROFEGJTDRT-JTQLQIEISA-N -1 0 317.353 -0.681 20 0 DBADRM C[C@]1(CC(=O)NC2(c3nnn[n-]3)CCC2)CCS(=O)(=O)N1 ZINC001434358344 1002414816 /nfs/dbraw/zinc/41/48/16/1002414816.db2.gz ARJWIRXNFUGBOY-SNVBAGLBSA-N -1 0 314.371 -0.833 20 0 DBADRM COC[C@H](NC(=O)Cc1c(C)cc(C)[nH]c1=O)c1nnn[n-]1 ZINC001434364377 1002415406 /nfs/dbraw/zinc/41/54/06/1002415406.db2.gz QMHBBNRZHLVQCK-JTQLQIEISA-N -1 0 306.326 -0.036 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001434364383 1002416490 /nfs/dbraw/zinc/41/64/90/1002416490.db2.gz HRLGUFIGGOQNBD-NXEZZACHSA-N -1 0 309.374 -0.182 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC(c2cccnc2)=NO1)c1nnn[n-]1 ZINC001434365650 1002420684 /nfs/dbraw/zinc/42/06/84/1002420684.db2.gz YTPQADOIJOVOCU-QWRGUYRKSA-N -1 0 317.309 -0.408 20 0 DBADRM Cc1cc(C)n(CC(=O)NCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001591955110 1016619079 /nfs/dbraw/zinc/61/90/79/1016619079.db2.gz MSZRMGQCBULIJQ-UHFFFAOYSA-N -1 0 316.329 -0.912 20 0 DBADRM O=C(NCC1(O)CCC2(CC1)OCCO2)c1c[n-]ncc1=O ZINC001434378579 1002431464 /nfs/dbraw/zinc/43/14/64/1002431464.db2.gz PTADWVRCFUNSSY-UHFFFAOYSA-N -1 0 309.322 -0.040 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001414590136 1002453116 /nfs/dbraw/zinc/45/31/16/1002453116.db2.gz QZEHGQVKXIEHPV-SNVBAGLBSA-N -1 0 323.353 -0.767 20 0 DBADRM COC(=O)c1cc(C2CN(C(=O)CCCc3nnn[n-]3)C2)[nH]n1 ZINC001434410600 1002455862 /nfs/dbraw/zinc/45/58/62/1002455862.db2.gz LSABQDVHGGGMDJ-UHFFFAOYSA-N -1 0 319.325 -0.342 20 0 DBADRM COC(=O)C1CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)C1 ZINC001434410855 1002456380 /nfs/dbraw/zinc/45/63/80/1002456380.db2.gz AYMLPALUXORXBB-UHFFFAOYSA-N -1 0 318.289 -0.011 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](O)[C@@H](F)C2)c1 ZINC001434412902 1002457440 /nfs/dbraw/zinc/45/74/40/1002457440.db2.gz BRDOHXPRFVLICX-GXSJLCMTSA-N -1 0 318.326 -0.416 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)C(=O)NCCc1ccccc1 ZINC001434433016 1002469191 /nfs/dbraw/zinc/46/91/91/1002469191.db2.gz BDEVMLMAGGGVLG-SECBINFHSA-N -1 0 303.322 -0.013 20 0 DBADRM Nc1nc2nc(CN3CCS[C@@H]4COCC[C@@H]43)cc(=O)n2[n-]1 ZINC001434462679 1002482163 /nfs/dbraw/zinc/48/21/63/1002482163.db2.gz MNROJQRBKAWRED-VHSXEESVSA-N -1 0 322.394 -0.294 20 0 DBADRM NC(=O)[C@H](F)C1CCN(Cc2cc(=O)n3[n-]c(N)nc3n2)CC1 ZINC001434481441 1002493460 /nfs/dbraw/zinc/49/34/60/1002493460.db2.gz GFJSKKDWCSAIPC-SNVBAGLBSA-N -1 0 323.332 -0.965 20 0 DBADRM CC(C)n1cnnc1CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001592148813 1016630379 /nfs/dbraw/zinc/63/03/79/1016630379.db2.gz SSKZBKDTDRCIBC-SNVBAGLBSA-N -1 0 323.353 -0.202 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC001592145759 1016632242 /nfs/dbraw/zinc/63/22/42/1016632242.db2.gz UUAKOMAOCHRDCQ-UHFFFAOYSA-N -1 0 316.383 -0.145 20 0 DBADRM CC(C)n1ccc(CC(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])n1 ZINC001592133193 1016632674 /nfs/dbraw/zinc/63/26/74/1016632674.db2.gz FHFNMXCWLQIJEB-NSHDSACASA-N -1 0 308.338 -0.240 20 0 DBADRM CC(C)n1cc(CN2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001592126928 1016632690 /nfs/dbraw/zinc/63/26/90/1016632690.db2.gz PCNRFCNJDWWXGG-NEPJUHHUSA-N -1 0 307.354 -0.120 20 0 DBADRM CC(C)n1[nH]cnc1=NC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001592171839 1016632880 /nfs/dbraw/zinc/63/28/80/1016632880.db2.gz PRAAXGHNRJGOTM-VIFPVBQESA-N -1 0 307.310 -0.491 20 0 DBADRM C[C@@H]1C[C@H](NS(=O)(=O)c2ncc[n-]2)C(=O)N1c1cnn(C)c1 ZINC001434555873 1002522819 /nfs/dbraw/zinc/52/28/19/1002522819.db2.gz BYHGJAVJLXYQAO-SCZZXKLOSA-N -1 0 324.366 -0.385 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](CCO)COC ZINC001434560727 1002526825 /nfs/dbraw/zinc/52/68/25/1002526825.db2.gz IKZZSUKZLBZAHB-SECBINFHSA-N -1 0 302.418 -0.274 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H]1CCCC(C)(C)O1 ZINC001434564256 1002528772 /nfs/dbraw/zinc/52/87/72/1002528772.db2.gz FDFPOUUUDICBPS-ZJUUUORDSA-N -1 0 309.384 -0.213 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC001592205581 1016634133 /nfs/dbraw/zinc/63/41/33/1016634133.db2.gz PVCPAXUEKRLNIL-AJCRVFRXSA-N -1 0 303.274 -0.025 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC001592194176 1016634800 /nfs/dbraw/zinc/63/48/00/1016634800.db2.gz TUYRLVWVFCLUMB-OKWQPMOJSA-N -1 0 306.322 -0.082 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC001592189730 1016635047 /nfs/dbraw/zinc/63/50/47/1016635047.db2.gz BNSKLYBCGGTFTK-TYRPZCRBSA-N -1 0 304.368 -0.197 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-][C@H](CO)[C@H]1CCOC1 ZINC001434568934 1002535507 /nfs/dbraw/zinc/53/55/07/1002535507.db2.gz ZSSPHFMDNWEPKX-VHSXEESVSA-N -1 0 312.413 -0.520 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)Cn1nnc2ccccc2c1=O ZINC001592203214 1016635304 /nfs/dbraw/zinc/63/53/04/1016635304.db2.gz YNZVCVXABVAUMF-UCUJLANTSA-N -1 0 302.290 -0.063 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)CN(C)c1ncnc2nc[nH]c21 ZINC001592192542 1016635379 /nfs/dbraw/zinc/63/53/79/1016635379.db2.gz NVJFMUFKXRBTNG-TUUFMJSCSA-N -1 0 304.310 -0.065 20 0 DBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001592178463 1016635394 /nfs/dbraw/zinc/63/53/94/1016635394.db2.gz MOFVDCKSEMOZIF-SCZZXKLOSA-N -1 0 322.383 -0.233 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)CN(C)c1ncnc2nc[nH]c21 ZINC001592192540 1016635399 /nfs/dbraw/zinc/63/53/99/1016635399.db2.gz NVJFMUFKXRBTNG-MPJRPATESA-N -1 0 304.310 -0.065 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@]2(C)CCOC2=O)n[nH]1 ZINC001434573759 1002537337 /nfs/dbraw/zinc/53/73/37/1002537337.db2.gz IYGXZDHIDUDSEW-JTQLQIEISA-N -1 0 303.296 -0.820 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC001592201908 1016635681 /nfs/dbraw/zinc/63/56/81/1016635681.db2.gz RGWFQEFZNNPTIX-XKZIROGOSA-N -1 0 309.322 -0.148 20 0 DBADRM CS(C)(=O)=NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ncc[n-]1 ZINC001434575237 1002539779 /nfs/dbraw/zinc/53/97/79/1002539779.db2.gz DXZYTCBCKZRANN-QMMMGPOBSA-N -1 0 320.396 -0.183 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC001592190938 1016636192 /nfs/dbraw/zinc/63/61/92/1016636192.db2.gz HHHXJQOLIOCPFQ-SGJFDWMWSA-N -1 0 316.339 -0.934 20 0 DBADRM C[C@H](C1CC1)n1cc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])cn1 ZINC001592180615 1016636256 /nfs/dbraw/zinc/63/62/56/1016636256.db2.gz IPSRCWWSIBUTLA-KCJUWKMLSA-N -1 0 324.337 -0.256 20 0 DBADRM Cc1ccn(CC(=O)NC[C@H]2CCCO2)c(=O)c1-c1nnn[n-]1 ZINC001592265181 1016637335 /nfs/dbraw/zinc/63/73/35/1016637335.db2.gz CTNXMHNDKTVOJH-SNVBAGLBSA-N -1 0 318.337 -0.368 20 0 DBADRM C[C@H](CC(=O)N[C@H](CCC1OCCO1)C(=O)[O-])NC(N)=O ZINC001592243304 1016638533 /nfs/dbraw/zinc/63/85/33/1016638533.db2.gz VAIDULXLNQWTCK-HTQZYQBOSA-N -1 0 303.315 -0.844 20 0 DBADRM C[C@@H](CC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-])c1cnn(C)c1 ZINC001592226749 1016638610 /nfs/dbraw/zinc/63/86/10/1016638610.db2.gz IAIRZSAXUXUVIM-ONGXEEELSA-N -1 0 308.338 -0.333 20 0 DBADRM C[C@@H](CC(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001592255153 1016639040 /nfs/dbraw/zinc/63/90/40/1016639040.db2.gz ZMBMXLHWCWMEGC-GXSJLCMTSA-N -1 0 322.365 -0.078 20 0 DBADRM C[C@@H](CC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1)NC(N)=O ZINC001592228184 1016639381 /nfs/dbraw/zinc/63/93/81/1016639381.db2.gz ZZRCGVAHRFWUQM-VHSXEESVSA-N -1 0 301.343 -0.084 20 0 DBADRM C[C@@H](CC(=O)N[C@H](CCC1OCCO1)C(=O)[O-])NC(N)=O ZINC001592243305 1016639829 /nfs/dbraw/zinc/63/98/29/1016639829.db2.gz VAIDULXLNQWTCK-JGVFFNPUSA-N -1 0 303.315 -0.844 20 0 DBADRM Cc1ccn(CC2CN(S(C)(=O)=O)C2)c(=O)c1-c1nnn[n-]1 ZINC001592265975 1016641361 /nfs/dbraw/zinc/64/13/61/1016641361.db2.gz KNYOLQDLAOQFQL-UHFFFAOYSA-N -1 0 324.366 -0.772 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N(C)Cc1ncnn1CC(F)F ZINC001434729899 1002580902 /nfs/dbraw/zinc/58/09/02/1002580902.db2.gz MRDNGMZKHZNPBP-UHFFFAOYSA-N -1 0 315.288 -0.365 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](CO)Cc1ccc(F)cc1 ZINC001434730435 1002580997 /nfs/dbraw/zinc/58/09/97/1002580997.db2.gz UGBIACQOBYMTEV-NSHDSACASA-N -1 0 308.317 -0.021 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=S)NCCNS(C)(=O)=O)C1CC1 ZINC001592321088 1016642351 /nfs/dbraw/zinc/64/23/51/1016642351.db2.gz KDDZHUSDXVKJRG-LLVKDONJSA-N -1 0 323.440 -0.357 20 0 DBADRM Cc1nc(-c2nnn[n-]2)c(NNC(=S)NC[C@@H]2CCOC2)o1 ZINC001592338789 1016644762 /nfs/dbraw/zinc/64/47/62/1016644762.db2.gz NOALRJKCJBMLPQ-ZETCQYMHSA-N -1 0 324.370 -0.009 20 0 DBADRM Cc1nc(-c2nnn[n-]2)c(N2CCC(C(=O)OCCO)CC2)o1 ZINC001592336834 1016647452 /nfs/dbraw/zinc/64/74/52/1016647452.db2.gz CIXDMSZQAIGBFG-UHFFFAOYSA-N -1 0 322.325 -0.085 20 0 DBADRM Cc1n[nH]cc1CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001592331816 1016647630 /nfs/dbraw/zinc/64/76/30/1016647630.db2.gz WFPDEPBYSLONND-SSDOTTSWSA-N -1 0 302.302 -0.633 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCC(C(=O)NCCCO)CC1 ZINC001592341925 1016649922 /nfs/dbraw/zinc/64/99/22/1016649922.db2.gz JRTVKIJDYNXFHV-SNVBAGLBSA-N -1 0 300.355 -0.166 20 0 DBADRM O=C(N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1)N[C@@H]1CCOC[C@H]1O ZINC001434840971 1002642468 /nfs/dbraw/zinc/64/24/68/1002642468.db2.gz IXANOVVBLDPTKL-GMTAPVOTSA-N -1 0 323.353 -0.790 20 0 DBADRM C[C@]1(NC(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)CCOC1=O ZINC001434841699 1002642939 /nfs/dbraw/zinc/64/29/39/1002642939.db2.gz VFACWAPCYUFAGO-OTYXRUKQSA-N -1 0 321.337 -0.234 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001415061586 1002647460 /nfs/dbraw/zinc/64/74/60/1002647460.db2.gz JMSYLWAOMVBBLQ-IMSYWVGJSA-N -1 0 308.338 -0.355 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(Cc3cnn(C)n3)CC2)c1[O-] ZINC001434857429 1002648289 /nfs/dbraw/zinc/64/82/89/1002648289.db2.gz BGOYPFIEDKDERC-UHFFFAOYSA-N -1 0 305.342 -0.490 20 0 DBADRM CCn1ccnc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001434861333 1002650579 /nfs/dbraw/zinc/65/05/79/1002650579.db2.gz MWHZLZDDUBDDCF-UHFFFAOYSA-N -1 0 305.342 -0.315 20 0 DBADRM C[C@H]1c2nncn2CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001435894822 1002665842 /nfs/dbraw/zinc/66/58/42/1002665842.db2.gz XMTBVAYFHKBIIV-QMMMGPOBSA-N -1 0 314.309 -0.734 20 0 DBADRM O=C(C1CCC(O)CC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001415121416 1002679338 /nfs/dbraw/zinc/67/93/38/1002679338.db2.gz WDSHBLMFXOQSCV-UHFFFAOYSA-N -1 0 309.370 -0.294 20 0 DBADRM Cc1nc(C(=O)N=c2nn[n-]n2C2CC2)ccc1-c1nn[nH]n1 ZINC001592350485 1016655926 /nfs/dbraw/zinc/65/59/26/1016655926.db2.gz BVCIWNVJXWIFKN-UHFFFAOYSA-N -1 0 312.297 -0.434 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC001592410278 1016658040 /nfs/dbraw/zinc/65/80/40/1016658040.db2.gz DTXUHWYANHBHLF-SECBINFHSA-N -1 0 304.368 -0.962 20 0 DBADRM CC(C)C(=O)N[C@@H](C)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001415164186 1002713048 /nfs/dbraw/zinc/71/30/48/1002713048.db2.gz GQJHDIYVLOWRPH-VIFPVBQESA-N -1 0 305.338 -0.087 20 0 DBADRM C[C@@H](CC(=O)[O-])S(=O)(=O)CC(=O)N1CCOC(C)(C)C1 ZINC001592421466 1016664683 /nfs/dbraw/zinc/66/46/83/1016664683.db2.gz YVUYZCMBMWPJJM-VIFPVBQESA-N -1 0 307.368 -0.098 20 0 DBADRM C[C@@H](CNC(=O)CCC(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415216251 1002750677 /nfs/dbraw/zinc/75/06/77/1002750677.db2.gz XMFXHBSFISUKOK-YFKPBYRVSA-N -1 0 319.268 -0.437 20 0 DBADRM Cc1nn(CCN2CC[NH+]=C2[O-])c(=O)c(-c2nnn[n-]2)c1C ZINC001592436807 1016667219 /nfs/dbraw/zinc/66/72/19/1016667219.db2.gz AKIDHYAJUGUMFG-UHFFFAOYSA-N -1 0 304.314 -0.935 20 0 DBADRM CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H](C)CNC(C)=O ZINC001426308560 1002755303 /nfs/dbraw/zinc/75/53/03/1002755303.db2.gz YEGHGDLUAZUCHD-SECBINFHSA-N -1 0 320.353 -0.556 20 0 DBADRM Cc1nnc(CN(C)C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)o1 ZINC001592442706 1016667905 /nfs/dbraw/zinc/66/79/05/1016667905.db2.gz WUOYJSZFVPRSBM-ZCFIWIBFSA-N -1 0 318.301 -0.631 20 0 DBADRM Cc1nnccc1NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001592451103 1016668126 /nfs/dbraw/zinc/66/81/26/1016668126.db2.gz UJVUACOOBJHFHI-SSDOTTSWSA-N -1 0 300.286 -0.244 20 0 DBADRM Cc1nnc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1C ZINC001592448859 1016668612 /nfs/dbraw/zinc/66/86/12/1016668612.db2.gz PLTBRCABMRNCBT-RXMQYKEDSA-N -1 0 303.290 -0.905 20 0 DBADRM Cc1nn(Cc2ncnn2CCF)c(=O)c(-c2nnn[n-]2)c1C ZINC001592438391 1016668754 /nfs/dbraw/zinc/66/87/54/1016668754.db2.gz XLAMUHBBGNKNJO-UHFFFAOYSA-N -1 0 319.304 -0.350 20 0 DBADRM Cc1nn(C[C@H](O)C(F)(F)F)c(=O)c(-c2nnn[n-]2)c1C ZINC001592436656 1016670455 /nfs/dbraw/zinc/67/04/55/1016670455.db2.gz XXYZPLGQAQDCGI-LURJTMIESA-N -1 0 304.232 -0.037 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001592453699 1016672637 /nfs/dbraw/zinc/67/26/37/1016672637.db2.gz XIJSVMJNGQYXOR-ZCFIWIBFSA-N -1 0 311.269 -0.158 20 0 DBADRM Cc1noc(C)c1CCn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001592458264 1016672842 /nfs/dbraw/zinc/67/28/42/1016672842.db2.gz PKLXJGKUBBKHBY-UHFFFAOYSA-N -1 0 303.282 -0.023 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CC1 ZINC001592451939 1016672907 /nfs/dbraw/zinc/67/29/07/1016672907.db2.gz JCEUOFPLORJARQ-MRVPVSSYSA-N -1 0 321.337 -0.253 20 0 DBADRM C[C@H](CCNC(=O)[C@@H]1CC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415379048 1002820150 /nfs/dbraw/zinc/82/01/50/1002820150.db2.gz FVLGUZSYKZWJMP-SFYZADRCSA-N -1 0 323.353 -0.047 20 0 DBADRM CSCC(=O)N[C@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415411791 1002828627 /nfs/dbraw/zinc/82/86/27/1002828627.db2.gz MSWLSYPNDQJBOB-ZCFIWIBFSA-N -1 0 315.355 -0.730 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC1(C)C ZINC001415412006 1002828746 /nfs/dbraw/zinc/82/87/46/1002828746.db2.gz ISRYUHKTIXKHMJ-HTQZYQBOSA-N -1 0 323.353 -0.047 20 0 DBADRM CC(C)C(=O)NC[C@H](C)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001426571109 1002828942 /nfs/dbraw/zinc/82/89/42/1002828942.db2.gz BBYHFVKDEOHCSV-VIFPVBQESA-N -1 0 310.354 -0.281 20 0 DBADRM CN(CCNC(=O)C1CCC1)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001415434117 1002833408 /nfs/dbraw/zinc/83/34/08/1002833408.db2.gz ZFJSYYIAWUZORO-UHFFFAOYSA-N -1 0 323.353 -0.410 20 0 DBADRM C[C@H](CCNC(=O)[C@@H](C)CC(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001592512940 1016682292 /nfs/dbraw/zinc/68/22/92/1016682292.db2.gz KFIIGBHLHPPYRL-DTWKUNHWSA-N -1 0 323.353 -0.585 20 0 DBADRM CCn1nncc1C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001415473483 1002850564 /nfs/dbraw/zinc/85/05/64/1002850564.db2.gz RLWFXAWEKDSODG-UHFFFAOYSA-N -1 0 321.341 -0.463 20 0 DBADRM CC(=O)N1CC(C(=O)N(C)CCNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001415472521 1002850905 /nfs/dbraw/zinc/85/09/05/1002850905.db2.gz LUQRZQLNAWYADA-UHFFFAOYSA-N -1 0 323.353 -0.910 20 0 DBADRM C[C@H](CCNC(=O)Cc1nc[nH]n1)Nc1ncc(C(=O)[O-])cn1 ZINC001592512790 1016683219 /nfs/dbraw/zinc/68/32/19/1016683219.db2.gz FKSWOZZAQIXRCE-MRVPVSSYSA-N -1 0 319.325 -0.158 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC001426742292 1002879715 /nfs/dbraw/zinc/87/97/15/1002879715.db2.gz PZMXNSHDLNGXLI-APPZFPTMSA-N -1 0 323.353 -0.721 20 0 DBADRM C[C@@H](C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001415571074 1002884386 /nfs/dbraw/zinc/88/43/86/1002884386.db2.gz SVASZZBIRRYFNH-MRVPVSSYSA-N -1 0 311.342 -0.690 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001426764152 1002884470 /nfs/dbraw/zinc/88/44/70/1002884470.db2.gz UANJNCURKYSBKV-BQBZGAKWSA-N -1 0 315.305 -0.392 20 0 DBADRM C[C@H](C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001415571076 1002885221 /nfs/dbraw/zinc/88/52/21/1002885221.db2.gz SVASZZBIRRYFNH-QMMMGPOBSA-N -1 0 311.342 -0.690 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)c1ccn[nH]1 ZINC001592531498 1016688765 /nfs/dbraw/zinc/68/87/65/1016688765.db2.gz YCPQPSCLEFSOHK-MRVPVSSYSA-N -1 0 304.310 -0.060 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001592531457 1016689083 /nfs/dbraw/zinc/68/90/83/1016689083.db2.gz WXGVOOJITRBQQY-YIZRAAEISA-N -1 0 321.337 -0.975 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1CCOC1 ZINC001592531495 1016689303 /nfs/dbraw/zinc/68/93/03/1016689303.db2.gz XXSIWBWEHYDBGA-UWVGGRQHSA-N -1 0 308.338 -0.060 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H](CO)CC2CC2)c(-c2nnn[n-]2)c1=O ZINC001592543811 1016689922 /nfs/dbraw/zinc/68/99/22/1016689922.db2.gz NZHABFPXLVCTBW-ZETCQYMHSA-N -1 0 307.314 -0.761 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H]1CCOC1 ZINC001592531494 1016690137 /nfs/dbraw/zinc/69/01/37/1016690137.db2.gz XXSIWBWEHYDBGA-NXEZZACHSA-N -1 0 308.338 -0.060 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2CO[C@@H](C3CC3)C2)c(-c2nnn[n-]2)c1=O ZINC001592546143 1016690257 /nfs/dbraw/zinc/69/02/57/1016690257.db2.gz KQEGRNXYSPWUCO-JGVFFNPUSA-N -1 0 319.325 -0.355 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)c1ccn[nH]1 ZINC001592531499 1016690476 /nfs/dbraw/zinc/69/04/76/1016690476.db2.gz YCPQPSCLEFSOHK-QMMMGPOBSA-N -1 0 304.310 -0.060 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H]2CCC[C@H]2CCO)c(-c2nnn[n-]2)c1=O ZINC001592546914 1016691877 /nfs/dbraw/zinc/69/18/77/1016691877.db2.gz VZKZNHFLIOSBIN-YUMQZZPRSA-N -1 0 321.341 -0.371 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCCC3(CC3)C2)n(C)c1=O ZINC001592553284 1016692507 /nfs/dbraw/zinc/69/25/07/1016692507.db2.gz KPSZOBUEHGAPHM-UHFFFAOYSA-N -1 0 317.353 -0.356 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC3CC2(C)C3)n(C)c1=O ZINC001592553206 1016693828 /nfs/dbraw/zinc/69/38/28/1016693828.db2.gz FRBJICJECGRVRV-UHFFFAOYSA-N -1 0 303.326 -0.747 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)c1n[nH]nc1C ZINC001415657808 1002936117 /nfs/dbraw/zinc/93/61/17/1002936117.db2.gz ROXHDVDJYKLENH-UHFFFAOYSA-N -1 0 321.341 -0.258 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)[C@@H]1CCC(=O)N1 ZINC001415657723 1002938790 /nfs/dbraw/zinc/93/87/90/1002938790.db2.gz ORXDPDCMORUQRE-VIFPVBQESA-N -1 0 323.353 -0.719 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592574147 1016707256 /nfs/dbraw/zinc/70/72/56/1016707256.db2.gz LDHGTMITVXRWNK-SFYZADRCSA-N -1 0 324.341 -0.510 20 0 DBADRM C[C@H](CN(C(=O)CCS(=O)(=O)N(C)C)C1CC1)C(=O)[O-] ZINC001592557354 1016697141 /nfs/dbraw/zinc/69/71/41/1016697141.db2.gz AKVSDDALEFBQQU-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2CCC[C@H](F)C2)n(C)c1=O ZINC001592556034 1016697303 /nfs/dbraw/zinc/69/73/03/1016697303.db2.gz YCMAZAXFIQQBBV-JGVFFNPUSA-N -1 0 323.332 -0.043 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CCSC(F)(F)F)c1=O ZINC001592558026 1016697319 /nfs/dbraw/zinc/69/73/19/1016697319.db2.gz KTTLOLQSIIMXRJ-UHFFFAOYSA-N -1 0 322.272 -0.020 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001592563676 1016701275 /nfs/dbraw/zinc/70/12/75/1016701275.db2.gz BUTGPUQQFIFBJZ-IUCAKERBSA-N -1 0 323.353 -0.633 20 0 DBADRM CCCC(=O)N[C@H](C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001426993963 1002983089 /nfs/dbraw/zinc/98/30/89/1002983089.db2.gz QDQLHSVWMLXKCA-SECBINFHSA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@H](CN(C)C(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001592578703 1016708526 /nfs/dbraw/zinc/70/85/26/1016708526.db2.gz BJNMOHMYULRPAT-SSDOTTSWSA-N -1 0 301.324 -0.478 20 0 DBADRM CCCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@@H]1C[C@@H]1C ZINC001415814628 1003014263 /nfs/dbraw/zinc/01/42/63/1003014263.db2.gz XQTYYTALWPLUHZ-DTWKUNHWSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1ncc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001437485206 1003029516 /nfs/dbraw/zinc/02/95/16/1003029516.db2.gz XVCPRLQAPUZQJN-UHFFFAOYSA-N -1 0 308.298 -0.559 20 0 DBADRM Cn1ccnc1Sc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001592585477 1016711815 /nfs/dbraw/zinc/71/18/15/1016711815.db2.gz NNECUUKJHSLGFH-UHFFFAOYSA-N -1 0 306.311 -0.862 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cccnn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592580033 1016712649 /nfs/dbraw/zinc/71/26/49/1016712649.db2.gz YUQGMBFSYROCGL-VIFPVBQESA-N -1 0 316.321 -0.041 20 0 DBADRM COc1ccnc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)c1 ZINC001437499155 1003040277 /nfs/dbraw/zinc/04/02/77/1003040277.db2.gz RZTUXDOROLLUSW-UHFFFAOYSA-N -1 0 306.326 -0.224 20 0 DBADRM CN(CCNC(=O)CCc1ccc(=O)[nH]c1)Cc1n[nH]c(=O)[n-]1 ZINC001437514107 1003045605 /nfs/dbraw/zinc/04/56/05/1003045605.db2.gz XUJUCFOSQOTAIC-UHFFFAOYSA-N -1 0 320.353 -0.208 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001437521834 1003051485 /nfs/dbraw/zinc/05/14/85/1003051485.db2.gz CVIWCNNPQNMFEZ-NXEZZACHSA-N -1 0 324.385 -0.650 20 0 DBADRM COc1c(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)c(C)nn1C ZINC001437526339 1003052703 /nfs/dbraw/zinc/05/27/03/1003052703.db2.gz YTGXMHPZUMVGEX-UHFFFAOYSA-N -1 0 323.357 -0.577 20 0 DBADRM Cn1ncc(NCCn2cnc(-c3nnn[n-]3)n2)c(Cl)c1=O ZINC001592601980 1016719659 /nfs/dbraw/zinc/71/96/59/1016719659.db2.gz GTNDGIQOOSDSCB-UHFFFAOYSA-N -1 0 322.720 -0.683 20 0 DBADRM CCC(=O)NCC[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)C ZINC001427339956 1003086615 /nfs/dbraw/zinc/08/66/15/1003086615.db2.gz XQIJQMPBHUETBG-MRVPVSSYSA-N -1 0 311.342 -0.047 20 0 DBADRM CCN(CCNC(=O)c1ccc(C)nn1)Cc1n[nH]c(=O)[n-]1 ZINC001437600661 1003087187 /nfs/dbraw/zinc/08/71/87/1003087187.db2.gz WGPJBDIVESYDMN-UHFFFAOYSA-N -1 0 305.342 -0.139 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001416016230 1003093273 /nfs/dbraw/zinc/09/32/73/1003093273.db2.gz VKGPLHSUPWPOBV-CBAPKCEASA-N -1 0 321.337 -0.802 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)CC(F)(F)F ZINC001592624665 1016730481 /nfs/dbraw/zinc/73/04/81/1016730481.db2.gz KWCICRXETOTAMF-LURJTMIESA-N -1 0 312.244 -0.651 20 0 DBADRM CCC[C@@H](C)C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001416031056 1003105200 /nfs/dbraw/zinc/10/52/00/1003105200.db2.gz GWUQSVCIQSLFBU-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1nnc(CC(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)o1 ZINC001437658117 1003122990 /nfs/dbraw/zinc/12/29/90/1003122990.db2.gz MOSCPKYMJGLCIN-SECBINFHSA-N -1 0 321.341 -0.475 20 0 DBADRM C[C@@H](CN1CCOCC1)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001592623433 1016730706 /nfs/dbraw/zinc/73/07/06/1016730706.db2.gz INFQTIUDJRDWFV-NWDGAFQWSA-N -1 0 320.411 -0.719 20 0 DBADRM CN(CCNC(=O)c1ccco1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001495810113 1016729233 /nfs/dbraw/zinc/72/92/33/1016729233.db2.gz CCYDNJQGUYNRJU-UHFFFAOYSA-N -1 0 309.282 -0.829 20 0 DBADRM CC[C@@H](C)C(=O)N(C)C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001427477416 1003146488 /nfs/dbraw/zinc/14/64/88/1003146488.db2.gz WDMWNQSRQXZLNA-RKDXNWHRSA-N -1 0 313.358 -0.302 20 0 DBADRM C[C@H](CNC(=O)Cn1ccnc1)Nc1ncc(C(=O)[O-])cn1 ZINC001592655579 1016738879 /nfs/dbraw/zinc/73/88/79/1016738879.db2.gz TUDRUTRYQYWPMI-SECBINFHSA-N -1 0 304.310 -0.012 20 0 DBADRM CCCN(CCNC(=O)[C@H](C)NC(C)=O)Cc1n[nH]c(=O)[n-]1 ZINC001437735323 1003181540 /nfs/dbraw/zinc/18/15/40/1003181540.db2.gz GNKPXPVCZBWSRJ-VIFPVBQESA-N -1 0 312.374 -0.637 20 0 DBADRM C[C@H](CNC(=O)C1=COCCO1)Nc1ccnc(C(=O)[O-])n1 ZINC001592641078 1016733751 /nfs/dbraw/zinc/73/37/51/1016733751.db2.gz UZKDIAAAAOTYFX-MRVPVSSYSA-N -1 0 308.294 -0.599 20 0 DBADRM C[C@H](CNC(=O)CCn1ccnn1)Nc1ncc(C(=O)[O-])cn1 ZINC001592650425 1016733825 /nfs/dbraw/zinc/73/38/25/1016733825.db2.gz FKTGUGLPTITTEA-SECBINFHSA-N -1 0 319.325 -0.227 20 0 DBADRM C[C@@H](CNC(=O)CCCC(N)=O)N(C)c1ccnc(C(=O)[O-])n1 ZINC001592645503 1016734180 /nfs/dbraw/zinc/73/41/80/1016734180.db2.gz IOKRANSKAPMTGX-VIFPVBQESA-N -1 0 323.353 -0.229 20 0 DBADRM C[C@@H](CNC(=O)/C=C/c1ccc(C(=O)[O-])o1)S(N)(=O)=O ZINC001592645788 1016734442 /nfs/dbraw/zinc/73/44/42/1016734442.db2.gz LGIPNHQXQZGYDR-MZTFZBDOSA-N -1 0 302.308 -0.216 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1COCCO1)CNc1ccnc(C(=O)[O-])n1 ZINC001592647914 1016734700 /nfs/dbraw/zinc/73/47/00/1016734700.db2.gz QVRAPHVNYIVOEN-ZJUUUORDSA-N -1 0 324.337 -0.824 20 0 DBADRM C[C@H](CNC(=O)CCn1cncn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592650303 1016734774 /nfs/dbraw/zinc/73/47/74/1016734774.db2.gz BSHDWDWGGSPFLO-SECBINFHSA-N -1 0 319.325 -0.805 20 0 DBADRM C[C@@H](CNC(=O)C1(C(N)=O)CC1)CNc1ccnc(C(=O)[O-])n1 ZINC001592641055 1016734796 /nfs/dbraw/zinc/73/47/96/1016734796.db2.gz UCFJARDUCFULSZ-MRVPVSSYSA-N -1 0 321.337 -0.974 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1)C(=O)[O-] ZINC001592635910 1016735198 /nfs/dbraw/zinc/73/51/98/1016735198.db2.gz FMWIUBOVNCZRFY-MRVPVSSYSA-N -1 0 322.321 -0.441 20 0 DBADRM C[C@@H](CNC(=O)Cc1cc[nH]n1)CNc1ccnc(C(=O)[O-])n1 ZINC001592653496 1016736403 /nfs/dbraw/zinc/73/64/03/1016736403.db2.gz FPUCBJLQEZEKCB-SECBINFHSA-N -1 0 318.337 -0.273 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001437764202 1003205839 /nfs/dbraw/zinc/20/58/39/1003205839.db2.gz LZDNFJBSMYRNOZ-VIFPVBQESA-N -1 0 310.358 -0.883 20 0 DBADRM C[C@H](CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1nncn1C ZINC001592650956 1016736870 /nfs/dbraw/zinc/73/68/70/1016736870.db2.gz NGURBHACDIBGMM-ZJUUUORDSA-N -1 0 323.353 -0.642 20 0 DBADRM C[C@@H](CNC(=O)Cc1nc[nH]n1)N(C)c1ccnc(C(=O)[O-])n1 ZINC001592655665 1016737052 /nfs/dbraw/zinc/73/70/52/1016737052.db2.gz VEUPJGGXJXRYCB-QMMMGPOBSA-N -1 0 319.325 -0.524 20 0 DBADRM C[C@H](CNC(=O)CCc1nnc[nH]1)Nc1ccnc(C(=O)[O-])n1 ZINC001592651081 1016737745 /nfs/dbraw/zinc/73/77/45/1016737745.db2.gz UOKYSDCHUXLHSC-MRVPVSSYSA-N -1 0 319.325 -0.736 20 0 DBADRM C[C@H](CNC(=O)Cn1cccn1)Nc1ncc(C(=O)[O-])cn1 ZINC001592654918 1016737916 /nfs/dbraw/zinc/73/79/16/1016737916.db2.gz NEXRAIBKILCAMO-SECBINFHSA-N -1 0 304.310 -0.012 20 0 DBADRM C[C@@H](CNC(=O)Cc1nc[nH]n1)CNc1ccnc(C(=O)[O-])n1 ZINC001592655551 1016737929 /nfs/dbraw/zinc/73/79/29/1016737929.db2.gz SGVNXNBBFPYBMN-MRVPVSSYSA-N -1 0 319.325 -0.878 20 0 DBADRM C[C@H](CNC(=O)N1CCSC[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC001592663659 1016738051 /nfs/dbraw/zinc/73/80/51/1016738051.db2.gz GWEQYRUEEIKLKZ-BDAKNGLRSA-N -1 0 324.424 -0.121 20 0 DBADRM Cc1cncn1CC(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001437798363 1003231487 /nfs/dbraw/zinc/23/14/87/1003231487.db2.gz IGNQWEVWKAXNGE-UHFFFAOYSA-N -1 0 319.369 -0.204 20 0 DBADRM C[C@@H](CNC(=O)c1cn(C)cn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592702444 1016752790 /nfs/dbraw/zinc/75/27/90/1016752790.db2.gz YCIJNEJZTGPQBX-QMMMGPOBSA-N -1 0 304.310 -0.439 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)c1cn(C)nn1 ZINC001416200523 1003246236 /nfs/dbraw/zinc/24/62/36/1003246236.db2.gz HZPJQZHZFOKSFS-MRVPVSSYSA-N -1 0 321.341 -0.509 20 0 DBADRM C[C@H](CNC(=O)c1ccnnc1)CNc1ccnc(C(=O)[O-])n1 ZINC001592700932 1016747191 /nfs/dbraw/zinc/74/71/91/1016747191.db2.gz DMRAUSTYNHRHIY-VIFPVBQESA-N -1 0 316.321 -0.135 20 0 DBADRM C[C@@H](CNC(=O)c1ncn(C)n1)N(C)c1ncc(C(=O)[O-])cn1 ZINC001592705243 1016751330 /nfs/dbraw/zinc/75/13/30/1016751330.db2.gz CEDZWUHJRIKYRD-QMMMGPOBSA-N -1 0 319.325 -0.442 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CC(C)C ZINC001416265465 1003289138 /nfs/dbraw/zinc/28/91/38/1003289138.db2.gz HPMCBYNCNDHCEO-VIFPVBQESA-N -1 0 313.358 -0.254 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N(C)CCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001437951777 1003295555 /nfs/dbraw/zinc/29/55/55/1003295555.db2.gz GUNYLQMVRVLKBI-NWDGAFQWSA-N -1 0 322.413 -0.258 20 0 DBADRM C[C@H](CNC(=O)c1cnccn1)CNc1ccnc(C(=O)[O-])n1 ZINC001592705287 1016753801 /nfs/dbraw/zinc/75/38/01/1016753801.db2.gz FFLLTFXVNHLNEM-VIFPVBQESA-N -1 0 316.321 -0.135 20 0 DBADRM CC(=O)N1CCCC[C@H]1CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001416526560 1003352246 /nfs/dbraw/zinc/35/22/46/1003352246.db2.gz HSECLHHRBKYHPQ-JTQLQIEISA-N -1 0 311.342 -0.403 20 0 DBADRM CC(C)[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001416608659 1003358730 /nfs/dbraw/zinc/35/87/30/1003358730.db2.gz VSWDYEJYEXMBTA-CIUDSAMLSA-N -1 0 323.353 -0.191 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1CC1(C)C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001416654333 1003375214 /nfs/dbraw/zinc/37/52/14/1003375214.db2.gz BZOSTQVHWMUJLY-QMMMGPOBSA-N -1 0 323.353 -0.141 20 0 DBADRM CN(CCN(C)C(=O)c1cc[nH]c1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001416668143 1003379923 /nfs/dbraw/zinc/37/99/23/1003379923.db2.gz VBYYTPXNJCCUTJ-UHFFFAOYSA-N -1 0 322.325 -0.752 20 0 DBADRM CN(C(=O)CC1(O)CCC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438241502 1003393134 /nfs/dbraw/zinc/39/31/34/1003393134.db2.gz FUCQAIJUTXQEFK-SNVBAGLBSA-N -1 0 309.370 -0.152 20 0 DBADRM Cn1cnc(C(=O)NC[C@H](NC(=O)c2cn[nH]n2)C2CC2)c1 ZINC001427889065 1003427041 /nfs/dbraw/zinc/42/70/41/1003427041.db2.gz GJWBYWGAWIDJAF-VIFPVBQESA-N -1 0 303.326 -0.523 20 0 DBADRM NC(=O)N1CCC[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001592729391 1016773482 /nfs/dbraw/zinc/77/34/82/1016773482.db2.gz JSDWWWAIFNLTCY-MRVPVSSYSA-N -1 0 303.330 -0.719 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)C(C)(C)C(N)=O ZINC001592730844 1016774902 /nfs/dbraw/zinc/77/49/02/1016774902.db2.gz YUCPQRJGMKGFCQ-MRVPVSSYSA-N -1 0 323.353 -0.633 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)N(C)C(=O)c1nc[nH]n1 ZINC001592729773 1016777392 /nfs/dbraw/zinc/77/73/92/1016777392.db2.gz RCBVXTVSMHGHSU-SSDOTTSWSA-N -1 0 305.298 -0.135 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)C(C)(C)C(N)=O ZINC001592730846 1016778035 /nfs/dbraw/zinc/77/80/35/1016778035.db2.gz YUCPQRJGMKGFCQ-QMMMGPOBSA-N -1 0 323.353 -0.633 20 0 DBADRM CC(CO)(CO)NC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001592734087 1016778959 /nfs/dbraw/zinc/77/89/59/1016778959.db2.gz QCVWPHKWKUHNID-UHFFFAOYSA-N -1 0 322.321 -0.014 20 0 DBADRM NC(=O)c1csc(CNc2ccnc(-c3nnn[n-]3)n2)n1 ZINC001592738227 1016780323 /nfs/dbraw/zinc/78/03/23/1016780323.db2.gz HBWNSHKZDKHWLE-UHFFFAOYSA-N -1 0 303.311 -0.754 20 0 DBADRM NC(=O)c1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC001592735745 1016781269 /nfs/dbraw/zinc/78/12/69/1016781269.db2.gz GVSRYXMJZWXHSE-UHFFFAOYSA-N -1 0 313.281 -0.804 20 0 DBADRM C[C@](CO)(NC(=O)CCN1C(=O)COc2ccccc21)C(=O)[O-] ZINC001592740707 1016785896 /nfs/dbraw/zinc/78/58/96/1016785896.db2.gz ADOREXVIOADBGT-OAHLLOKOSA-N -1 0 322.317 -0.246 20 0 DBADRM C[C@@](CO)(NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC001592743446 1016786103 /nfs/dbraw/zinc/78/61/03/1016786103.db2.gz VTNCCIVCAPIXTK-BONVTDFDSA-N -1 0 306.318 -0.009 20 0 DBADRM C[C@](CO)(NC(=O)Cn1cnc(-c2ccccc2)n1)C(=O)[O-] ZINC001592738919 1016786301 /nfs/dbraw/zinc/78/63/01/1016786301.db2.gz HXXMGXWEXFEIMQ-CQSZACIVSA-N -1 0 304.306 -0.103 20 0 DBADRM C[C@](CO)(NC(=O)/C=C/c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC001592744067 1016787472 /nfs/dbraw/zinc/78/74/72/1016787472.db2.gz XTBLTSZUYBJMKH-OGOUPESXSA-N -1 0 317.319 -0.352 20 0 DBADRM C[C@@](CO)(NC(=O)c1cc2c([nH]c1=O)CCCC2=O)C(=O)[O-] ZINC001592745352 1016787862 /nfs/dbraw/zinc/78/78/62/1016787862.db2.gz SRQZBAVVRIGCEJ-AWEZNQCLSA-N -1 0 308.290 -0.128 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNCc2nnn(C)n2)c1[O-] ZINC001438642466 1003554559 /nfs/dbraw/zinc/55/45/59/1003554559.db2.gz IIEIBLAOYSXUNC-SSDOTTSWSA-N -1 0 308.346 -0.802 20 0 DBADRM C[C@](CO)(NC(=O)c1ccc2c(c1)C(=O)NCCO2)C(=O)[O-] ZINC001592745799 1016789810 /nfs/dbraw/zinc/78/98/10/1016789810.db2.gz VIDACJVLQOOOMV-CQSZACIVSA-N -1 0 308.290 -0.626 20 0 DBADRM C[C@@](CO)(NC(=O)C[C@@H](NC(N)=O)c1ccccc1)C(=O)[O-] ZINC001592744086 1016789854 /nfs/dbraw/zinc/78/98/54/1016789854.db2.gz YIFXESALBJHXMJ-YGRLFVJLSA-N -1 0 309.322 -0.262 20 0 DBADRM C[C@](CO)(NCC(=O)NC1CCC2(CC1)OCCO2)C(=O)[O-] ZINC001592750602 1016792888 /nfs/dbraw/zinc/79/28/88/1016792888.db2.gz TUIQTRSARRJBAC-CYBMUJFWSA-N -1 0 316.354 -0.787 20 0 DBADRM C[C@@](CO)(NCC(=O)NC(=O)NCc1ccccc1)C(=O)[O-] ZINC001592750316 1016792388 /nfs/dbraw/zinc/79/23/88/1016792388.db2.gz QRFPQPCBZRRQKZ-AWEZNQCLSA-N -1 0 309.322 -0.562 20 0 DBADRM C[C@H](CO)CCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001592757219 1016796159 /nfs/dbraw/zinc/79/61/59/1016796159.db2.gz IVGICGVKDJTJED-AXFHLTTASA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](CO)CCCNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001592757297 1016796471 /nfs/dbraw/zinc/79/64/71/1016796471.db2.gz JIYALEHCMAYWMB-QMMMGPOBSA-N -1 0 312.326 -0.418 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)C(=O)[O-] ZINC001592800933 1016804567 /nfs/dbraw/zinc/80/45/67/1016804567.db2.gz VCDJTNPGWRYKFP-HLTSFMKQSA-N -1 0 311.381 -0.987 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1ccnn1CC1CCC1)C(=O)[O-] ZINC001592755493 1016797816 /nfs/dbraw/zinc/79/78/16/1016797816.db2.gz IVOUSGCTKKBVDX-LBPRGKRZSA-N -1 0 317.367 -0.203 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@H](C)C(=O)NCC(F)(F)F)C(=O)[O-] ZINC001592800535 1016804596 /nfs/dbraw/zinc/80/45/96/1016804596.db2.gz OOOOMOABGDFJEV-NTSWFWBYSA-N -1 0 320.289 -0.307 20 0 DBADRM CC1CC(C(=O)NCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001495946688 1016798649 /nfs/dbraw/zinc/79/86/49/1016798649.db2.gz VIUNOIJMKLRHBP-UHFFFAOYSA-N -1 0 309.326 -0.483 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)Cc2ccnn2C)c1[O-] ZINC001416885320 1003624017 /nfs/dbraw/zinc/62/40/17/1003624017.db2.gz RSVMNFPPMKGHAN-QMMMGPOBSA-N -1 0 320.353 -0.366 20 0 DBADRM O=C(C1CC1)N1CCC(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001592774192 1016800840 /nfs/dbraw/zinc/80/08/40/1016800840.db2.gz ZPNXZMRRAUROPS-UHFFFAOYSA-N -1 0 314.353 -0.109 20 0 DBADRM CCn1ncc(C(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)n1 ZINC001597954339 1017219952 /nfs/dbraw/zinc/21/99/52/1017219952.db2.gz AZKHAJULZHUFLJ-JTQLQIEISA-N -1 0 310.310 -0.080 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001592771361 1016801510 /nfs/dbraw/zinc/80/15/10/1016801510.db2.gz DNGQJTSSHHQARI-DBIOUOCHSA-N -1 0 314.338 -0.724 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC[C@H](C(=O)N2CCCC2)C1)C(=O)[O-] ZINC001592789109 1016802545 /nfs/dbraw/zinc/80/25/45/1016802545.db2.gz DLEMGDYHQGVPKX-QWRGUYRKSA-N -1 0 318.395 -0.019 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@@H](OC(=O)N(C)C)C1)C(=O)[O-] ZINC001592799734 1016803770 /nfs/dbraw/zinc/80/37/70/1016803770.db2.gz ZKHIDZFRUYWKPP-RKDXNWHRSA-N -1 0 308.356 -0.191 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@H]1CCOC12CCOCC2)C(=O)[O-] ZINC001592806248 1016804025 /nfs/dbraw/zinc/80/40/25/1016804025.db2.gz FPWYMZABHPTXSN-ZJUUUORDSA-N -1 0 307.368 -0.035 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])C1CC1 ZINC001592799443 1016804174 /nfs/dbraw/zinc/80/41/74/1016804174.db2.gz CFQGNLVOSLSYKD-SCZZXKLOSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@](C)(CO)[C@](C)(CO)C1)C(=O)[O-] ZINC001592800355 1016804188 /nfs/dbraw/zinc/80/41/88/1016804188.db2.gz MCPFSIZRCXTKPN-JLLWLGSASA-N -1 0 309.384 -0.650 20 0 DBADRM C[C@H](CS(=O)(=O)NC[C@@H](CO)Cc1cccnc1)C(=O)[O-] ZINC001592807381 1016804836 /nfs/dbraw/zinc/80/48/36/1016804836.db2.gz DWJBUQSBARAPSI-PWSUYJOCSA-N -1 0 316.379 -0.127 20 0 DBADRM O=C(C[C@H]1C=CS(=O)(=O)C1)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001592812596 1016805294 /nfs/dbraw/zinc/80/52/94/1016805294.db2.gz IZBQTOKYKSLYOF-ZCFIWIBFSA-N -1 0 309.311 -0.523 20 0 DBADRM C[C@H](CS(=O)(=O)NCC1N=NC(=O)N1C1CC1)C(=O)[O-] ZINC001592814874 1016805921 /nfs/dbraw/zinc/80/59/21/1016805921.db2.gz DQOZPEWJEKZKKH-ZCFIWIBFSA-N -1 0 304.328 -0.541 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N[C@H](Cn1ccnc1)C(=O)[O-] ZINC001592813512 1016805970 /nfs/dbraw/zinc/80/59/70/1016805970.db2.gz ASQHVAIZTYYHEG-RKDXNWHRSA-N -1 0 303.340 -0.867 20 0 DBADRM C[C@H](CS(=O)(=O)NCCN1CCC2(C1)OCCO2)C(=O)[O-] ZINC001592808920 1016806067 /nfs/dbraw/zinc/80/60/67/1016806067.db2.gz NLXMEHWJHFFPGV-SNVBAGLBSA-N -1 0 322.383 -0.925 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@]12CC(=O)N[C@H]1CCCC2)C(=O)[O-] ZINC001592816218 1016806240 /nfs/dbraw/zinc/80/62/40/1016806240.db2.gz MLBRNDSMYFJVSF-VDDIYKPWSA-N -1 0 304.368 -0.172 20 0 DBADRM C[C@@H](CS(=O)(=O)NC[C@@H](CO)c1cccnc1)C(=O)[O-] ZINC001592808870 1016806454 /nfs/dbraw/zinc/80/64/54/1016806454.db2.gz NATXWKQMYSDDHL-ONGXEEELSA-N -1 0 302.352 -0.202 20 0 DBADRM C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001592823088 1016807219 /nfs/dbraw/zinc/80/72/19/1016807219.db2.gz XIKYDYJDEIODOL-ULCDLSAGSA-N -1 0 306.365 -0.175 20 0 DBADRM O=C(CC[C@H]1CCOC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592833710 1016807944 /nfs/dbraw/zinc/80/79/44/1016807944.db2.gz RRAAANNTSCJEPZ-VIFPVBQESA-N -1 0 306.330 -0.609 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001592822323 1016807957 /nfs/dbraw/zinc/80/79/57/1016807957.db2.gz KMCJBHWOXPYUKZ-QFWYVNQISA-N -1 0 315.351 -0.455 20 0 DBADRM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1occc1C(=O)[O-] ZINC001592822527 1016808384 /nfs/dbraw/zinc/80/83/84/1016808384.db2.gz PDAKIAPDKVVJBG-ZCFIWIBFSA-N -1 0 311.337 -0.311 20 0 DBADRM O=C(CCCn1cccc1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592840708 1016808796 /nfs/dbraw/zinc/80/87/96/1016808796.db2.gz OVIVTDKKUBSNPE-UHFFFAOYSA-N -1 0 315.341 -0.144 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001592822322 1016808945 /nfs/dbraw/zinc/80/89/45/1016808945.db2.gz KMCJBHWOXPYUKZ-MWAODPMSSA-N -1 0 315.351 -0.455 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001592822910 1016808967 /nfs/dbraw/zinc/80/89/67/1016808967.db2.gz WKCVQPFGDZRHOO-FRUKKLPWSA-N -1 0 304.368 -0.807 20 0 DBADRM CO[C@@H](C)C(=O)N(C)CCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001438859813 1003697554 /nfs/dbraw/zinc/69/75/54/1003697554.db2.gz WGGFJQRKTURTCJ-NSHDSACASA-N -1 0 321.381 -0.052 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)CS(=O)(=O)C1CC1)C(=O)[O-] ZINC001592918131 1016816574 /nfs/dbraw/zinc/81/65/74/1016816574.db2.gz YJWVFVRWWYIONL-LBPRGKRZSA-N -1 0 315.351 -0.580 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)CN1CCCNC1=O)C(=O)[O-] ZINC001592916474 1016814621 /nfs/dbraw/zinc/81/46/21/1016814621.db2.gz GYQHIWSTLWVZNN-ZDUSSCGKSA-N -1 0 309.326 -0.742 20 0 DBADRM CN(CCN(C)C(=O)CCc1ccncn1)Cc1n[nH]c(=O)[n-]1 ZINC001438876020 1003719650 /nfs/dbraw/zinc/71/96/50/1003719650.db2.gz YBDXQJBARLGNDX-UHFFFAOYSA-N -1 0 319.369 -0.177 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@H](CCCO)C1 ZINC001592940794 1016821388 /nfs/dbraw/zinc/82/13/88/1016821388.db2.gz ZYKHFTFINPJPRN-SECBINFHSA-N -1 0 306.330 -0.921 20 0 DBADRM O=C(Cn1cncc(-c2nnn[n-]2)c1=O)NC1CCCCC1 ZINC001592941058 1016821423 /nfs/dbraw/zinc/82/14/23/1016821423.db2.gz AXQMYSBKYNEHJG-UHFFFAOYSA-N -1 0 303.326 -0.128 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@H](O)C12CCCC2 ZINC001592940785 1016821594 /nfs/dbraw/zinc/82/15/94/1016821594.db2.gz ZNUMCCZUHJCBRE-SECBINFHSA-N -1 0 318.341 -0.636 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCOCC1CCC1 ZINC001592940836 1016822400 /nfs/dbraw/zinc/82/24/00/1016822400.db2.gz CKPXDFYPOZHEDJ-UHFFFAOYSA-N -1 0 306.330 -0.609 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001592940798 1016822504 /nfs/dbraw/zinc/82/25/04/1016822504.db2.gz ZZCVPKPTHFQUKR-VHSXEESVSA-N -1 0 318.341 -0.514 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1nc(C2CC2)c[nH]1 ZINC001592941411 1016822604 /nfs/dbraw/zinc/82/26/04/1016822604.db2.gz LOQYBFDRVGMCDB-UHFFFAOYSA-N -1 0 300.286 -0.303 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)CS(=O)(=O)C1CC1)C(=O)[O-] ZINC001592918130 1016817264 /nfs/dbraw/zinc/81/72/64/1016817264.db2.gz YJWVFVRWWYIONL-GFCCVEGCSA-N -1 0 315.351 -0.580 20 0 DBADRM O=C(Cc1ccccc1)Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001592922670 1016817839 /nfs/dbraw/zinc/81/78/39/1016817839.db2.gz CNMOEBKQZSONST-UHFFFAOYSA-N -1 0 312.289 -0.059 20 0 DBADRM C[C@](Cn1cccn1)(NS(=O)(=O)C[C@H]1CCCO1)C(=O)[O-] ZINC001592926617 1016818061 /nfs/dbraw/zinc/81/80/61/1016818061.db2.gz TYCWOWKILMRQAX-ZYHUDNBSSA-N -1 0 317.367 -0.175 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001592931854 1016818500 /nfs/dbraw/zinc/81/85/00/1016818500.db2.gz QMIPDXZLPVXPNP-WHXUTIOJSA-N -1 0 323.353 -0.458 20 0 DBADRM Cc1cc(CN(C)CCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001438926876 1003767436 /nfs/dbraw/zinc/76/74/36/1003767436.db2.gz HDFCZMFSXDBGJP-UHFFFAOYSA-N -1 0 324.341 -0.424 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CC[C@@H]1C1CC1 ZINC001592934410 1016818987 /nfs/dbraw/zinc/81/89/87/1016818987.db2.gz MLJZVBHTMZOWLL-SECBINFHSA-N -1 0 317.309 -0.860 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001592931903 1016819580 /nfs/dbraw/zinc/81/95/80/1016819580.db2.gz RZHGEFRCSAKLEL-VHSXEESVSA-N -1 0 309.326 -0.752 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC1(CF)CCOCC1 ZINC001592939885 1016819930 /nfs/dbraw/zinc/81/99/30/1016819930.db2.gz LPWIDUPOLXEWJE-UHFFFAOYSA-N -1 0 310.293 -0.907 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1cncc(F)c1 ZINC001592941091 1016820715 /nfs/dbraw/zinc/82/07/15/1016820715.db2.gz SIOSQQUIOGCSEA-UHFFFAOYSA-N -1 0 303.261 -0.691 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC2(C1)CCCOC2 ZINC001592940752 1016820794 /nfs/dbraw/zinc/82/07/94/1016820794.db2.gz XTIWVLLQBMRUGF-UHFFFAOYSA-N -1 0 304.314 -0.903 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1cnn(C)c1 ZINC001592981434 1016827418 /nfs/dbraw/zinc/82/74/18/1016827418.db2.gz SYIILSFEVGYSNV-WCABBAIRSA-N -1 0 308.338 -0.224 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC(CC(=O)[O-])CC1)c1ncnn1C ZINC001592970904 1016827534 /nfs/dbraw/zinc/82/75/34/1016827534.db2.gz MQFUZIMKFQHEQY-VIFPVBQESA-N -1 0 323.353 -0.294 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccnn1C ZINC001592970204 1016827699 /nfs/dbraw/zinc/82/76/99/1016827699.db2.gz DJPPVDFHKDBQOW-OTYXRUKQSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1nnnn1C1CC1 ZINC001592978692 1016827932 /nfs/dbraw/zinc/82/79/32/1016827932.db2.gz LBCZKSNWGXMXNE-FXQIFTODSA-N -1 0 322.325 -0.835 20 0 DBADRM C[C@@H](NC(=O)C(N)=O)[C@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001592994208 1016828912 /nfs/dbraw/zinc/82/89/12/1016828912.db2.gz RXFRCHQAPMWBNM-BDAKNGLRSA-N -1 0 321.337 -0.619 20 0 DBADRM CCC(=O)N(C)CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001428329954 1003825400 /nfs/dbraw/zinc/82/54/00/1003825400.db2.gz UQPZMZAHMVXDBA-UHFFFAOYSA-N -1 0 313.358 -0.205 20 0 DBADRM CC(=O)N[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)C(C)(C)C ZINC001428346211 1003825873 /nfs/dbraw/zinc/82/58/73/1003825873.db2.gz ZPRRJUCDFNWXQW-JTQLQIEISA-N -1 0 310.354 -0.234 20 0 DBADRM CC(=O)N[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)C(C)(C)C ZINC001428346216 1003826067 /nfs/dbraw/zinc/82/60/67/1003826067.db2.gz ZPRRJUCDFNWXQW-SNVBAGLBSA-N -1 0 310.354 -0.234 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3cncnc3)CC2)c1[O-] ZINC001417130224 1003827628 /nfs/dbraw/zinc/82/76/28/1003827628.db2.gz YRBMAQCQVAOZOH-UHFFFAOYSA-N -1 0 316.321 -0.094 20 0 DBADRM O=C(CCC1CC1)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001417177836 1003838266 /nfs/dbraw/zinc/83/82/66/1003838266.db2.gz BFDWWZRUIVZMAK-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM COCC(=O)NC[C@H](C)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001428486262 1003845587 /nfs/dbraw/zinc/84/55/87/1003845587.db2.gz XIRRRAZYQCYEPX-ZETCQYMHSA-N -1 0 308.294 -0.191 20 0 DBADRM CCCC(=O)NC[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001428489525 1003846455 /nfs/dbraw/zinc/84/64/55/1003846455.db2.gz QQSNVAKRJNEEHN-SECBINFHSA-N -1 0 320.353 -0.508 20 0 DBADRM CCCCC(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001417234977 1003849394 /nfs/dbraw/zinc/84/93/94/1003849394.db2.gz HAWFRDUKUUPMPD-UHFFFAOYSA-N -1 0 311.342 -0.451 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)CCCC(N)=O)C2)c1[O-] ZINC001417257207 1003855528 /nfs/dbraw/zinc/85/55/28/1003855528.db2.gz ASNHSFBCOKASCR-UHFFFAOYSA-N -1 0 323.353 -0.638 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC(CO)C1)c1ncc(C(=O)[O-])s1 ZINC001592970016 1016825882 /nfs/dbraw/zinc/82/58/82/1016825882.db2.gz BHXKPHDMIUPVBM-LURJTMIESA-N -1 0 313.335 -0.531 20 0 DBADRM C[C@@]1(CNC(=O)C2CC2)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001417380835 1003872909 /nfs/dbraw/zinc/87/29/09/1003872909.db2.gz IZDPHEYLUIPFTI-AWEZNQCLSA-N -1 0 321.337 -0.339 20 0 DBADRM COC[C@]1(C)CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001417454805 1003883405 /nfs/dbraw/zinc/88/34/05/1003883405.db2.gz PEKHWYVPOLJZTH-CQSZACIVSA-N -1 0 305.338 -0.044 20 0 DBADRM COc1cncc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001417560274 1003888027 /nfs/dbraw/zinc/88/80/27/1003888027.db2.gz VKVSNGRPQJQZHQ-UHFFFAOYSA-N -1 0 301.266 -0.492 20 0 DBADRM CC(=O)NCC1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001417617775 1003902420 /nfs/dbraw/zinc/90/24/20/1003902420.db2.gz LPHQXRAUIZKWAV-UHFFFAOYSA-N -1 0 313.383 -0.023 20 0 DBADRM C[C@H](NC(=O)Cn1cncn1)[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001593050077 1016834275 /nfs/dbraw/zinc/83/42/75/1016834275.db2.gz JFYZCZJNSUXRQR-IUCAKERBSA-N -1 0 319.325 -0.228 20 0 DBADRM C[C@@H]1CN(CCNC(=O)CCCn2c(=O)[n-][nH]c2=O)CCO1 ZINC001417629499 1003916737 /nfs/dbraw/zinc/91/67/37/1003916737.db2.gz MCUCPDQIPMVGGN-SNVBAGLBSA-N -1 0 313.358 -0.694 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cccn1CCN1CCOCC1 ZINC001417634165 1003923891 /nfs/dbraw/zinc/92/38/91/1003923891.db2.gz SFNHAOURVRUYDP-UHFFFAOYSA-N -1 0 305.342 -0.737 20 0 DBADRM C[C@@H](NC(=O)C(N)=O)[C@@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001592993965 1016829192 /nfs/dbraw/zinc/82/91/92/1016829192.db2.gz LJAMHUIPEKTLCW-RKDXNWHRSA-N -1 0 321.337 -0.619 20 0 DBADRM C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001593002392 1016829399 /nfs/dbraw/zinc/82/93/99/1016829399.db2.gz GSXVVOIAJRKHHH-MWLCHTKSSA-N -1 0 323.353 -0.458 20 0 DBADRM O=C(NCCn1cncn1)c1nc[n-]c(=O)c1Br ZINC001417635046 1003926512 /nfs/dbraw/zinc/92/65/12/1003926512.db2.gz AASLHAWRUSDPNU-UHFFFAOYSA-N -1 0 313.115 -0.034 20 0 DBADRM C[C@H](NC(=O)C(N)=O)[C@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001592994210 1016830085 /nfs/dbraw/zinc/83/00/85/1016830085.db2.gz RXFRCHQAPMWBNM-IUCAKERBSA-N -1 0 321.337 -0.619 20 0 DBADRM Cn1[n-]c(C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)cc1=O ZINC001417642142 1003934629 /nfs/dbraw/zinc/93/46/29/1003934629.db2.gz XCDDRWANBMIPLX-UHFFFAOYSA-N -1 0 322.346 -0.024 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001417643212 1003936868 /nfs/dbraw/zinc/93/68/68/1003936868.db2.gz RXVZSEMCUZXNRW-ZCFIWIBFSA-N -1 0 316.339 -0.680 20 0 DBADRM O=C(Nc1ccc(OCc2nnn[n-]2)cc1)[C@H]1COC(=O)N1 ZINC001417644308 1003937022 /nfs/dbraw/zinc/93/70/22/1003937022.db2.gz ADEWICJOGIMLDF-SECBINFHSA-N -1 0 304.266 -0.174 20 0 DBADRM C[C@H](NC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)c1nnc2n1CCC2 ZINC001593053795 1016835504 /nfs/dbraw/zinc/83/55/04/1016835504.db2.gz WHMASNQPXUXPCT-LPEHRKFASA-N -1 0 323.353 -0.238 20 0 DBADRM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001417660218 1003945005 /nfs/dbraw/zinc/94/50/05/1003945005.db2.gz OECXLLZWUXCXFP-SYLNSOGPSA-N -1 0 316.383 -0.115 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)c3c[n-]ncc3=O)C2=O)n(C)n1 ZINC001417658750 1003945988 /nfs/dbraw/zinc/94/59/88/1003945988.db2.gz KVXISUBMKRMRNZ-SNVBAGLBSA-N -1 0 316.321 -0.241 20 0 DBADRM C[C@H](NC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC001593054795 1016836074 /nfs/dbraw/zinc/83/60/74/1016836074.db2.gz ZOWOIAMJTGEJHT-NNYUYHANSA-N -1 0 315.370 -0.818 20 0 DBADRM O=C(NCc1cnn(CC(F)(F)F)c1)c1n[nH]c(=O)[n-]c1=O ZINC001417667299 1003951869 /nfs/dbraw/zinc/95/18/69/1003951869.db2.gz UXBSZBVMIRHRJE-UHFFFAOYSA-N -1 0 318.215 -0.028 20 0 DBADRM COc1cc(OC)cc([C@@H](O)CNC(=O)CCc2nnn[n-]2)c1 ZINC001417669621 1003955056 /nfs/dbraw/zinc/95/50/56/1003955056.db2.gz DJFZRESWTHLBBY-LBPRGKRZSA-N -1 0 321.337 -0.001 20 0 DBADRM C[C@H](NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)C(=O)N(C)C ZINC001593055777 1016836862 /nfs/dbraw/zinc/83/68/62/1016836862.db2.gz SQNGLFLRLGSCSE-WCBMZHEXSA-N -1 0 301.343 -0.670 20 0 DBADRM O=C(NCCCNc1ccnc(-c2nnn[n-]2)n1)c1cn[nH]c1 ZINC001593075588 1016837016 /nfs/dbraw/zinc/83/70/16/1016837016.db2.gz DAHDCLBDRKOMFW-UHFFFAOYSA-N -1 0 314.313 -0.966 20 0 DBADRM C[C@@H](O)C[C@H]1COCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001417707861 1003991551 /nfs/dbraw/zinc/99/15/51/1003991551.db2.gz NAGBSWJHUFQGKD-ZJUUUORDSA-N -1 0 306.322 -0.366 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCc2c(=O)[nH]cnc2C1 ZINC001417712847 1003995571 /nfs/dbraw/zinc/99/55/71/1003995571.db2.gz PDMBIAMINVTCBX-UHFFFAOYSA-N -1 0 308.323 -0.317 20 0 DBADRM O=C([C@@H](O)c1cccnc1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001417719388 1004002316 /nfs/dbraw/zinc/00/23/16/1004002316.db2.gz FARWWUWIXURDRP-ZJUUUORDSA-N -1 0 306.351 -0.055 20 0 DBADRM COC(=O)c1ccccc1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001417723147 1004004770 /nfs/dbraw/zinc/00/47/70/1004004770.db2.gz AUMKOBPEIKJGRX-UHFFFAOYSA-N -1 0 304.262 -0.001 20 0 DBADRM Cn1c(=O)cccc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001417725867 1004006549 /nfs/dbraw/zinc/00/65/49/1004006549.db2.gz LZCXHKCLVVCCFQ-UHFFFAOYSA-N -1 0 304.310 -0.978 20 0 DBADRM C[S@](=O)C1(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1 ZINC001417725207 1004007375 /nfs/dbraw/zinc/00/73/75/1004007375.db2.gz NLBNUOGIPJLEDG-QFIPXVFZSA-N -1 0 320.378 -0.284 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001417729970 1004009092 /nfs/dbraw/zinc/00/90/92/1004009092.db2.gz CYGHBVASOGAQTL-WDSKDSINSA-N -1 0 322.243 -0.664 20 0 DBADRM O=C(N[C@H](CO)C1CCOCC1)c1c[n-]n2c1nccc2=O ZINC001417733675 1004010678 /nfs/dbraw/zinc/01/06/78/1004010678.db2.gz XDABOFSRJSEZJQ-LLVKDONJSA-N -1 0 306.322 -0.460 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccc(O)cc1O ZINC001593113239 1016844670 /nfs/dbraw/zinc/84/46/70/1016844670.db2.gz YQOLLLOQELJSIQ-UHFFFAOYSA-N -1 0 316.281 -0.701 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cnn(CCF)c1 ZINC001593112760 1016844758 /nfs/dbraw/zinc/84/47/58/1016844758.db2.gz RKFMYTPUTSDGPU-UHFFFAOYSA-N -1 0 320.292 -0.946 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@H]1CC=CCC1 ZINC001593111201 1016845120 /nfs/dbraw/zinc/84/51/20/1016845120.db2.gz LACVAUQNHAGIQA-VIFPVBQESA-N -1 0 303.330 -0.134 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NOCC1CCC1 ZINC001593111168 1016845439 /nfs/dbraw/zinc/84/54/39/1016845439.db2.gz KUCLWMYMGUEKOV-UHFFFAOYSA-N -1 0 307.318 -0.511 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1C[C@@H]2CCC[C@@H]2C1 ZINC001593112473 1016845458 /nfs/dbraw/zinc/84/54/58/1016845458.db2.gz VXICRUIGHKORNB-AOOOYVTPSA-N -1 0 317.357 -0.100 20 0 DBADRM C[C@](O)(CC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001439519786 1004029542 /nfs/dbraw/zinc/02/95/42/1004029542.db2.gz DEJNCSRZSZJZPR-YGRLFVJLSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NO[C@@H]1CCCCO1 ZINC001593110769 1016845748 /nfs/dbraw/zinc/84/57/48/1016845748.db2.gz HFDAXSBLUWPTOX-MRVPVSSYSA-N -1 0 323.317 -0.784 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NCc1ccncc1 ZINC001593112380 1016845941 /nfs/dbraw/zinc/84/59/41/1016845941.db2.gz UHWZCIZRWPKMRF-UHFFFAOYSA-N -1 0 314.313 -0.647 20 0 DBADRM Cc1nn(C)cc1CC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001439530012 1004033896 /nfs/dbraw/zinc/03/38/96/1004033896.db2.gz HPQGZHJEOQNGBN-NSHDSACASA-N -1 0 319.369 -0.515 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001439526377 1004034035 /nfs/dbraw/zinc/03/40/35/1004034035.db2.gz OFHJHCSEBPNHDK-BDAKNGLRSA-N -1 0 306.330 -0.947 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001439556826 1004044398 /nfs/dbraw/zinc/04/43/98/1004044398.db2.gz LRPYTKIGXDAMFS-NXEZZACHSA-N -1 0 310.358 -0.885 20 0 DBADRM C[C@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593139187 1016847239 /nfs/dbraw/zinc/84/72/39/1016847239.db2.gz UTTWKHLJTNDVCF-OFKSJOQMSA-N -1 0 320.349 -0.206 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ncc(C(=O)[O-])s1 ZINC001593138804 1016847298 /nfs/dbraw/zinc/84/72/98/1016847298.db2.gz MNNXDAQZVQNWNG-WHFBIAKZSA-N -1 0 312.307 -0.383 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1Cc1cccnc1 ZINC001439569030 1004050176 /nfs/dbraw/zinc/05/01/76/1004050176.db2.gz GRHFGHDVBSUXRB-LLVKDONJSA-N -1 0 318.337 -0.525 20 0 DBADRM Cc1cc(C(=O)NCC2(NCc3nc(=O)n(C)[nH]3)CC2)no1 ZINC001439585672 1004056147 /nfs/dbraw/zinc/05/61/47/1004056147.db2.gz FLWNHDBAQAKJOC-UHFFFAOYSA-N -1 0 306.326 -0.543 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1CCC(F)(F)F ZINC001439579419 1004056512 /nfs/dbraw/zinc/05/65/12/1004056512.db2.gz XCGOYXDJFJPORN-ZETCQYMHSA-N -1 0 323.275 -0.168 20 0 DBADRM Cc1cc(CC(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)no1 ZINC001439596396 1004062856 /nfs/dbraw/zinc/06/28/56/1004062856.db2.gz IWSGJPPOWPGENL-UHFFFAOYSA-N -1 0 306.326 -0.212 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1C[C@@]12CCOC2 ZINC001593110008 1016842582 /nfs/dbraw/zinc/84/25/82/1016842582.db2.gz QUNGQQHPTTXYTR-QPUJVOFHSA-N -1 0 304.314 -0.999 20 0 DBADRM Cc1cc(OCC(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)no1 ZINC001439618001 1004071706 /nfs/dbraw/zinc/07/17/06/1004071706.db2.gz HJPFBWLFAAECQU-UHFFFAOYSA-N -1 0 322.325 -0.376 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001439629430 1004075711 /nfs/dbraw/zinc/07/57/11/1004075711.db2.gz NFZNYQBRHBHVEL-SECBINFHSA-N -1 0 322.369 -0.693 20 0 DBADRM C[C@@H]1CN(C(=O)c2nc[n-]c(=O)c2Br)CC(=O)N1 ZINC001417870839 1004078225 /nfs/dbraw/zinc/07/82/25/1004078225.db2.gz DUKOUUBMBHBIDH-RXMQYKEDSA-N -1 0 315.127 -0.095 20 0 DBADRM CCOC(=O)[C@H](F)C1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001417884078 1004086994 /nfs/dbraw/zinc/08/69/94/1004086994.db2.gz VAVWISIMKPFILS-LLVKDONJSA-N -1 0 322.296 -0.004 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@H](C(=O)Nn2c(=O)[n-][nH]c2=O)C1 ZINC001417883695 1004087851 /nfs/dbraw/zinc/08/78/51/1004087851.db2.gz JLNITVVCMWCCRG-ZETCQYMHSA-N -1 0 313.314 -0.967 20 0 DBADRM C[C@@](NC(=O)c1nc2ncc(CCO)cn2n1)(C(=O)[O-])C1CC1 ZINC001593188433 1016852627 /nfs/dbraw/zinc/85/26/27/1016852627.db2.gz CAEHRFOZBLQCNL-AWEZNQCLSA-N -1 0 319.321 -0.358 20 0 DBADRM CC[C@@H](C)C(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001417915563 1004102538 /nfs/dbraw/zinc/10/25/38/1004102538.db2.gz DWLMJSXGUMIWNV-LLVKDONJSA-N -1 0 310.402 -0.210 20 0 DBADRM CC(=O)NCC(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001439788498 1004120640 /nfs/dbraw/zinc/12/06/40/1004120640.db2.gz JXPBFYRPUBDELF-UHFFFAOYSA-N -1 0 310.358 -0.883 20 0 DBADRM O=C([N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1)C12CC(C1)C2 ZINC001593172441 1016850559 /nfs/dbraw/zinc/85/05/59/1016850559.db2.gz MEJOXOFPQRGSAE-UHFFFAOYSA-N -1 0 320.334 -0.133 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001593181344 1016850607 /nfs/dbraw/zinc/85/06/07/1016850607.db2.gz NWMHOBMDYLGHCB-WPRPVWTQSA-N -1 0 323.305 -0.848 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CCO1 ZINC001417972471 1004144643 /nfs/dbraw/zinc/14/46/43/1004144643.db2.gz SYZTVMYWWYLWDD-SKDRFNHKSA-N -1 0 318.337 -0.703 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](CO)c1ccc(F)cc1 ZINC001418017318 1004164758 /nfs/dbraw/zinc/16/47/58/1004164758.db2.gz ODZXRCWUYBDERF-SECBINFHSA-N -1 0 310.285 -0.279 20 0 DBADRM Cn1cccc1C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001439983545 1004168007 /nfs/dbraw/zinc/16/80/07/1004168007.db2.gz NUBYPGZTUQOKNK-CQSZACIVSA-N -1 0 320.353 -0.784 20 0 DBADRM C[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])[C@H]1CN(C)CCN1C ZINC001593319408 1016859309 /nfs/dbraw/zinc/85/93/09/1016859309.db2.gz PREVSHOJUAIJDM-GHMZBOCLSA-N -1 0 321.443 -0.349 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1ccc(-c3nn[nH]n3)cn1)C2 ZINC001593279091 1016855801 /nfs/dbraw/zinc/85/58/01/1016855801.db2.gz PXHOXEUPRDVBRW-NOZJJQNGSA-N -1 0 302.294 -0.201 20 0 DBADRM CNC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NC)o2)C1 ZINC001418114360 1004218421 /nfs/dbraw/zinc/21/84/21/1004218421.db2.gz FARJUGXRWFHHSJ-MRVPVSSYSA-N -1 0 315.351 -0.604 20 0 DBADRM O=C([O-])CNS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1Cl ZINC001593278764 1016856483 /nfs/dbraw/zinc/85/64/83/1016856483.db2.gz XLSHLZWDJXQFOH-UHFFFAOYSA-N -1 0 317.714 -0.117 20 0 DBADRM C[C@@](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)(C(=O)[O-])C1CC1 ZINC001593319128 1016859690 /nfs/dbraw/zinc/85/96/90/1016859690.db2.gz MZUBVDRHCOOFCZ-MFKMUULPSA-N -1 0 316.379 -0.078 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)C1=CCS(=O)(=O)C1)c1nc(=O)o[n-]1 ZINC001418165115 1004241913 /nfs/dbraw/zinc/24/19/13/1004241913.db2.gz SXRSHWYWUKEGHD-QMMMGPOBSA-N -1 0 315.351 -0.079 20 0 DBADRM O=C(c1cc(-c2nn[nH]n2)ccn1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001593325039 1016860476 /nfs/dbraw/zinc/86/04/76/1016860476.db2.gz NQJPPMFAEHJBLD-QMMMGPOBSA-N -1 0 312.297 -0.596 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)c1ncn(C)n1 ZINC001593330328 1016861256 /nfs/dbraw/zinc/86/12/56/1016861256.db2.gz HDEJBYOIIWGZAY-RXMQYKEDSA-N -1 0 300.300 -0.724 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)NCCF ZINC001593327232 1016861894 /nfs/dbraw/zinc/86/18/94/1016861894.db2.gz YKTXHVCJHFMELI-ZCFIWIBFSA-N -1 0 308.287 -0.270 20 0 DBADRM CCCC(=O)N(C)CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001496194863 1016862549 /nfs/dbraw/zinc/86/25/49/1016862549.db2.gz FSDHHTRKLGJJAW-UHFFFAOYSA-N -1 0 313.358 -0.156 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CC[C@@H](O)[C@@H](O)C1 ZINC001593335119 1016862641 /nfs/dbraw/zinc/86/26/41/1016862641.db2.gz LVZZZTJEPZLFQB-KOLCDFICSA-N -1 0 305.294 -0.860 20 0 DBADRM C[C@H](NS(=O)(=O)c1cccnc1C(=O)[O-])C(=O)NCCF ZINC001593345576 1016863355 /nfs/dbraw/zinc/86/33/55/1016863355.db2.gz QIMADXLVBBJFJN-ZETCQYMHSA-N -1 0 319.314 -0.468 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1C[C@H](O)C[C@H]1CO ZINC001593334713 1016863887 /nfs/dbraw/zinc/86/38/87/1016863887.db2.gz CNTZANGSPLCQHT-DTWKUNHWSA-N -1 0 305.294 -0.860 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CCN(C(=O)C2CC2)C1 ZINC001593348591 1016864937 /nfs/dbraw/zinc/86/49/37/1016864937.db2.gz GNHGNOSNNQIDPY-UHFFFAOYSA-N -1 0 313.321 -0.086 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001593352878 1016864965 /nfs/dbraw/zinc/86/49/65/1016864965.db2.gz IIGSXMFHVLFRFG-SSDOTTSWSA-N -1 0 302.308 -0.239 20 0 DBADRM O=C(c1cccc(F)c1-c1nn[nH]n1)N1C[C@H](CO)[C@H](CO)C1 ZINC001593350660 1016865716 /nfs/dbraw/zinc/86/57/16/1016865716.db2.gz RQGGXPGATKPBDD-DTORHVGOSA-N -1 0 321.312 -0.321 20 0 DBADRM O=C(c1coc(-c2nn[nH]n2)c1)N1C[C@H](CO)[C@H](CCO)C1 ZINC001593367786 1016865004 /nfs/dbraw/zinc/86/50/04/1016865004.db2.gz PNCMDHFBVAKREM-PSASIEDQSA-N -1 0 307.310 -0.477 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001593352714 1016865176 /nfs/dbraw/zinc/86/51/76/1016865176.db2.gz GHKYYGIIFOYPCQ-LURJTMIESA-N -1 0 301.324 -0.157 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001593347408 1016865963 /nfs/dbraw/zinc/86/59/63/1016865963.db2.gz JSTMZBKXCZCKCB-QEYWKRMJSA-N -1 0 304.368 -0.364 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC001593353077 1016866199 /nfs/dbraw/zinc/86/61/99/1016866199.db2.gz MEFCFHJRDCVVPD-SCZZXKLOSA-N -1 0 322.383 -0.690 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CCC2(C1)OCCO2 ZINC001593348850 1016866295 /nfs/dbraw/zinc/86/62/95/1016866295.db2.gz SCRAVOWTUIGHAR-UHFFFAOYSA-N -1 0 302.294 -0.149 20 0 DBADRM O=C1C[C@@]2(CCN(Cn3cccc(-c4nnn[n-]4)c3=O)C2)CN1 ZINC001593385140 1016867440 /nfs/dbraw/zinc/86/74/40/1016867440.db2.gz ZBQYRSPYQZXSFU-AWEZNQCLSA-N -1 0 315.337 -0.802 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1nccs1 ZINC001418302042 1004322956 /nfs/dbraw/zinc/32/29/56/1004322956.db2.gz JBUYBZGUUQKSRL-ZETCQYMHSA-N -1 0 312.355 -0.560 20 0 DBADRM O=C1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)CN1CC1CC1 ZINC001593384677 1016868423 /nfs/dbraw/zinc/86/84/23/1016868423.db2.gz RSQZKCOLSSSFQH-SECBINFHSA-N -1 0 300.326 -0.499 20 0 DBADRM O=C1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)CC1 ZINC001593394275 1016870188 /nfs/dbraw/zinc/87/01/88/1016870188.db2.gz JRFMOMRMFSBPQJ-UHFFFAOYSA-N -1 0 308.323 -0.385 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC001418386516 1004369216 /nfs/dbraw/zinc/36/92/16/1004369216.db2.gz BRRQVEDRUVGNQH-ONGXEEELSA-N -1 0 315.333 -0.237 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCCNC(=O)C1 ZINC001593398175 1016873459 /nfs/dbraw/zinc/87/34/59/1016873459.db2.gz RTRFFVZFHNDUSR-UHFFFAOYSA-N -1 0 302.294 -0.466 20 0 DBADRM O=C1CN(C2CCC2)C(=O)N1CCn1cnc(-c2nnn[n-]2)n1 ZINC001593398354 1016873724 /nfs/dbraw/zinc/87/37/24/1016873724.db2.gz ZMXATEDMGLJUPM-UHFFFAOYSA-N -1 0 317.313 -0.725 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCCO1)Cc1cc(=O)n2[n-]ccc2n1 ZINC001418434830 1004390816 /nfs/dbraw/zinc/39/08/16/1004390816.db2.gz KIMPZSQHISQACI-LBPRGKRZSA-N -1 0 319.365 -0.250 20 0 DBADRM CN(CCNC(=O)c1nnn(C(C)(C)C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001418460247 1004408888 /nfs/dbraw/zinc/40/88/88/1004408888.db2.gz UARZSNSYZLNDTC-UHFFFAOYSA-N -1 0 323.361 -0.886 20 0 DBADRM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCOC(=O)N1 ZINC001593402741 1016875728 /nfs/dbraw/zinc/87/57/28/1016875728.db2.gz UBWTYARAPDPMPP-VIFPVBQESA-N -1 0 304.266 -0.225 20 0 DBADRM CN1Cc2ccccc2[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1=O ZINC001418482285 1004424218 /nfs/dbraw/zinc/42/42/18/1004424218.db2.gz HVLQUTHJMLZTEB-LLVKDONJSA-N -1 0 317.305 -0.481 20 0 DBADRM C[C@](O)(CNC(=O)c1ncccc1S(C)(=O)=O)C(=O)[O-] ZINC001593412093 1016878321 /nfs/dbraw/zinc/87/83/21/1016878321.db2.gz URVHVZYKIYHXEC-NSHDSACASA-N -1 0 302.308 -0.950 20 0 DBADRM CC[C@@H](F)CN(C)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001418507491 1004440990 /nfs/dbraw/zinc/44/09/90/1004440990.db2.gz RRBKSUGSLKQVSH-SNVBAGLBSA-N -1 0 324.360 -0.133 20 0 DBADRM CSCC[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)c1nnn[n-]1 ZINC001418526894 1004454945 /nfs/dbraw/zinc/45/49/45/1004454945.db2.gz LCLVTMSLJUZCOY-YUMQZZPRSA-N -1 0 319.412 -0.313 20 0 DBADRM CCc1cc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)nn1C ZINC001418534735 1004459437 /nfs/dbraw/zinc/45/94/37/1004459437.db2.gz ZRHBFYNBFOTSNO-UHFFFAOYSA-N -1 0 307.358 -0.332 20 0 DBADRM O=C1OCC[C@@H]2CN(c3ccnc(-c4nnn[n-]4)n3)CCN12 ZINC001593414292 1016880136 /nfs/dbraw/zinc/88/01/36/1016880136.db2.gz IKADGRZNSRDAJW-MRVPVSSYSA-N -1 0 302.298 -0.312 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])[C@H](C)c1nnnn1C ZINC001418541854 1004466416 /nfs/dbraw/zinc/46/64/16/1004466416.db2.gz HVLGIEXGNDXWAQ-SECBINFHSA-N -1 0 322.373 -0.240 20 0 DBADRM CCN(CCNC(=O)[C@@]1(C)CCNC(=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001418551801 1004472733 /nfs/dbraw/zinc/47/27/33/1004472733.db2.gz JUVLIZSSJYPJSD-AWEZNQCLSA-N -1 0 324.385 -0.635 20 0 DBADRM CCN(CCNC(=O)[C@]1(C)CCC(=O)NC1)Cc1n[nH]c(=O)[n-]1 ZINC001418560351 1004477374 /nfs/dbraw/zinc/47/73/74/1004477374.db2.gz BCTLSJSCVDTNIA-CQSZACIVSA-N -1 0 324.385 -0.635 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1C[C@@H](CO)[C@H](CO)C1 ZINC001418561601 1004477859 /nfs/dbraw/zinc/47/78/59/1004477859.db2.gz RPHQAEDGERMMKU-IUCAKERBSA-N -1 0 320.305 -0.891 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001593426499 1016881148 /nfs/dbraw/zinc/88/11/48/1016881148.db2.gz CKSFWOYTBOQGGK-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1Cc2ccccc2CO1 ZINC001418576832 1004482350 /nfs/dbraw/zinc/48/23/50/1004482350.db2.gz FNALDTLNZONVHA-NSHDSACASA-N -1 0 304.306 -0.053 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)COCC(F)F ZINC001418580530 1004484293 /nfs/dbraw/zinc/48/42/93/1004484293.db2.gz DFBJLNDPIZKFET-MRVPVSSYSA-N -1 0 319.312 -0.175 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ccon1 ZINC001418580732 1004485153 /nfs/dbraw/zinc/48/51/53/1004485153.db2.gz OVPXNLVCFGDBTC-UHFFFAOYSA-N -1 0 310.314 -0.684 20 0 DBADRM O=C1OCCN1CCn1cc2c(c(-c3nnn[n-]3)c1=O)CCC2 ZINC001593423029 1016881761 /nfs/dbraw/zinc/88/17/61/1016881761.db2.gz REJSSPMKRHVIFQ-UHFFFAOYSA-N -1 0 316.321 -0.031 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001593425837 1016881799 /nfs/dbraw/zinc/88/17/99/1016881799.db2.gz NGQKSVITJDVMJS-PFWNZEGQSA-N -1 0 312.366 -0.169 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001593425616 1016881880 /nfs/dbraw/zinc/88/18/80/1016881880.db2.gz JWFGKBNUMLPANE-LHLIQPBNSA-N -1 0 310.310 -0.668 20 0 DBADRM O=c1[n-]c(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)n[nH]1 ZINC001593427307 1016881971 /nfs/dbraw/zinc/88/19/71/1016881971.db2.gz YSTFSEIFVPOKQB-UHFFFAOYSA-N -1 0 307.295 -0.336 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001593426543 1016882107 /nfs/dbraw/zinc/88/21/07/1016882107.db2.gz SFIQCEMVRLHZCA-KPXOXKRLSA-N -1 0 312.366 -0.121 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001593424967 1016882256 /nfs/dbraw/zinc/88/22/56/1016882256.db2.gz CUEDWTVLHSCEQM-COAQGJIASA-N -1 0 324.377 -0.025 20 0 DBADRM C[C@H](O)[C@H](O)CNC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001593432370 1016883931 /nfs/dbraw/zinc/88/39/31/1016883931.db2.gz MYDQMDXZSJSSGD-JGVFFNPUSA-N -1 0 300.315 -0.434 20 0 DBADRM CCNC(=O)CN1CCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001418622043 1004506738 /nfs/dbraw/zinc/50/67/38/1004506738.db2.gz SYLZOSVWWSHECM-SNVBAGLBSA-N -1 0 309.370 -0.246 20 0 DBADRM O=S(=O)(NCC1(CO)CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593432305 1016883553 /nfs/dbraw/zinc/88/35/53/1016883553.db2.gz GHJWLWVFJRZDMJ-UHFFFAOYSA-N -1 0 313.339 -0.099 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001593438890 1016884981 /nfs/dbraw/zinc/88/49/81/1016884981.db2.gz WTLBQTKZDUXDAS-USZNOCQGSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H](O)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC001593437359 1016884996 /nfs/dbraw/zinc/88/49/96/1016884996.db2.gz QZSCIMRARBLCRU-NOOOWODRSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)CC(=O)[O-])C1 ZINC001593437670 1016885339 /nfs/dbraw/zinc/88/53/39/1016885339.db2.gz SOZKGQLDKDJLGR-VHSXEESVSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001593438564 1016886726 /nfs/dbraw/zinc/88/67/26/1016886726.db2.gz WJIGLJKCEKOBLJ-VHSXEESVSA-N -1 0 311.342 -0.221 20 0 DBADRM C[C@H](O)[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CCO1 ZINC001593442219 1016887144 /nfs/dbraw/zinc/88/71/44/1016887144.db2.gz MCWVNWWNPUKKKW-IONNQARKSA-N -1 0 305.308 -0.252 20 0 DBADRM C[C@H](O)[C@H]1CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CCO1 ZINC001593441097 1016887288 /nfs/dbraw/zinc/88/72/88/1016887288.db2.gz DKDNVRKXZNHAMD-GZMMTYOYSA-N -1 0 316.335 -0.450 20 0 DBADRM C[C@@H](O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CCO1 ZINC001593442214 1016887366 /nfs/dbraw/zinc/88/73/66/1016887366.db2.gz MCWVNWWNPUKKKW-APPZFPTMSA-N -1 0 305.308 -0.252 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NC[C@H](O)[C@H](C)O)cc2=O)n1 ZINC001418678420 1004559025 /nfs/dbraw/zinc/55/90/25/1004559025.db2.gz MHBGQMBVZPWIBI-ONGXEEELSA-N -1 0 321.337 -0.956 20 0 DBADRM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001593440801 1016888133 /nfs/dbraw/zinc/88/81/33/1016888133.db2.gz BKNDVYFHTLCBJK-BDAKNGLRSA-N -1 0 307.306 -0.052 20 0 DBADRM C[C@@H](O)[C@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])n2)CCO1 ZINC001593441882 1016888394 /nfs/dbraw/zinc/88/83/94/1016888394.db2.gz JDCQOWQJPQPSGI-MWLCHTKSSA-N -1 0 309.322 -0.200 20 0 DBADRM C[C@@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C[C@H](C)O ZINC001593442049 1016888676 /nfs/dbraw/zinc/88/86/76/1016888676.db2.gz WDWBAQPMCNSCRY-OUAUKWLOSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001593446534 1016889115 /nfs/dbraw/zinc/88/91/15/1016889115.db2.gz AQPNYPDLIQQPBC-RBZYPMLTSA-N -1 0 300.355 -0.215 20 0 DBADRM O=S(=O)([N-]c1cccnn1)c1cncc(-c2nn[nH]n2)c1 ZINC001593445653 1016889286 /nfs/dbraw/zinc/88/92/86/1016889286.db2.gz GDNPCQRAMACVRX-UHFFFAOYSA-N -1 0 304.295 -0.148 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001593448237 1016889538 /nfs/dbraw/zinc/88/95/38/1016889538.db2.gz QPSGHQWAMCYJPL-IINYFYTJSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@@H](O)C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001593447976 1016890210 /nfs/dbraw/zinc/89/02/10/1016890210.db2.gz OGULXYUEZVTQQF-HTQZYQBOSA-N -1 0 319.339 -0.732 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@@]1(C)C=CCC1 ZINC001496327383 1016890592 /nfs/dbraw/zinc/89/05/92/1016890592.db2.gz FDWKNRMHTUERJB-AWEZNQCLSA-N -1 0 321.337 -0.173 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001496328664 1016890708 /nfs/dbraw/zinc/89/07/08/1016890708.db2.gz OSMBRPCLSHWUBT-HTQZYQBOSA-N -1 0 309.326 -0.483 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1CCCOCC1 ZINC001593457914 1016891455 /nfs/dbraw/zinc/89/14/55/1016891455.db2.gz UJJIUYQQBBPSNM-UHFFFAOYSA-N -1 0 310.339 -0.327 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1CCC[C@@H](O)CC1 ZINC001593457986 1016892121 /nfs/dbraw/zinc/89/21/21/1016892121.db2.gz WRSURQIJPKFIJZ-SECBINFHSA-N -1 0 324.366 -0.203 20 0 DBADRM C[C@H](O)CN1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CC1 ZINC001593462095 1016893285 /nfs/dbraw/zinc/89/32/85/1016893285.db2.gz DMGRMGSKQBNGRW-NSHDSACASA-N -1 0 320.411 -0.431 20 0 DBADRM C[C@H](CO)N(CC(=O)Nc1cccc(C(=O)[O-])n1)C[C@H](C)O ZINC001593459885 1016893335 /nfs/dbraw/zinc/89/33/35/1016893335.db2.gz UBUQSHDBJCRDNW-ZJUUUORDSA-N -1 0 311.338 -0.218 20 0 DBADRM C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001593462285 1016893405 /nfs/dbraw/zinc/89/34/05/1016893405.db2.gz GLNYGGKVFGALHU-VIFPVBQESA-N -1 0 318.351 -0.335 20 0 DBADRM C[C@@H](O)CN1CCN([C@@H]2CCCN(CCC(=O)[O-])C2=O)CC1 ZINC001593461807 1016894141 /nfs/dbraw/zinc/89/41/41/1016894141.db2.gz BUVBQIIEVQYAKJ-CHWSQXEVSA-N -1 0 313.398 -0.550 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)NC2(C(=O)[O-])CCSCC2)nn1 ZINC001593477259 1016895119 /nfs/dbraw/zinc/89/51/19/1016895119.db2.gz NJJJLPYBFIPKMT-MRVPVSSYSA-N -1 0 314.367 -0.202 20 0 DBADRM C[C@H](O)c1cn(C2CN(S(=O)(=O)CCCC(=O)[O-])C2)nn1 ZINC001593477564 1016895838 /nfs/dbraw/zinc/89/58/38/1016895838.db2.gz WPIGDYBSMMYYGU-QMMMGPOBSA-N -1 0 318.355 -0.617 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC001418837555 1004685899 /nfs/dbraw/zinc/68/58/99/1004685899.db2.gz HBRAZNSHHVGRTN-VIFPVBQESA-N -1 0 321.337 -0.100 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)C(=O)[O-] ZINC001593503858 1016900993 /nfs/dbraw/zinc/90/09/93/1016900993.db2.gz ZRKQHSNUTYVORF-JGVFFNPUSA-N -1 0 307.324 -0.614 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)C(=O)[O-] ZINC001593503862 1016900340 /nfs/dbraw/zinc/90/03/40/1016900340.db2.gz ZRKQHSNUTYVORF-SFYZADRCSA-N -1 0 307.324 -0.614 20 0 DBADRM O=c1c(-c2nnn[n-]2)cncn1CC1CCS(=O)(=O)CC1 ZINC001593494298 1016900356 /nfs/dbraw/zinc/90/03/56/1016900356.db2.gz NCZOYLNPYGHGIQ-UHFFFAOYSA-N -1 0 310.339 -0.752 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCCc2nn(C)cc21)C(=O)NCC(=O)[O-] ZINC001593499766 1016900604 /nfs/dbraw/zinc/90/06/04/1016900604.db2.gz CPBUEDXKBANEMY-IUCAKERBSA-N -1 0 309.322 -0.028 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])nn1 ZINC001593477357 1016895631 /nfs/dbraw/zinc/89/56/31/1016895631.db2.gz PRICGVJYPNFUTE-PHDIDXHHSA-N -1 0 310.232 -0.147 20 0 DBADRM CN1Cc2ccccc2[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001418959572 1004734025 /nfs/dbraw/zinc/73/40/25/1004734025.db2.gz BEYBUFNCKOLIIH-NSHDSACASA-N -1 0 303.322 -0.008 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H](CO)Cc1c[nH]cn1 ZINC001418998349 1004756176 /nfs/dbraw/zinc/75/61/76/1004756176.db2.gz RYSWDUXNTIKMMD-QMMMGPOBSA-N -1 0 322.287 -0.114 20 0 DBADRM CC[C@H](C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)N1CCCC1=O ZINC001419001384 1004756857 /nfs/dbraw/zinc/75/68/57/1004756857.db2.gz CKNFAMQLXPULQB-SNVBAGLBSA-N -1 0 322.369 -0.788 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CNC(=O)c2ccccc21)C(=O)NCC(=O)[O-] ZINC001593515790 1016904556 /nfs/dbraw/zinc/90/45/56/1016904556.db2.gz OWQRAXFRNYCOLN-GZMMTYOYSA-N -1 0 320.301 -0.354 20 0 DBADRM C[C@H](OC(=O)[C@H]1CNC(=O)c2ccccc21)C(=O)NCC(=O)[O-] ZINC001593515792 1016904625 /nfs/dbraw/zinc/90/46/25/1016904625.db2.gz OWQRAXFRNYCOLN-KWQFWETISA-N -1 0 320.301 -0.354 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CNC(=O)c2ccccc21)C(=O)NCC(=O)[O-] ZINC001593515791 1016905638 /nfs/dbraw/zinc/90/56/38/1016905638.db2.gz OWQRAXFRNYCOLN-KCJUWKMLSA-N -1 0 320.301 -0.354 20 0 DBADRM COC[C@H](O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-] ZINC001419051350 1004786617 /nfs/dbraw/zinc/78/66/17/1004786617.db2.gz WVORJJYUXANJCP-GARJFASQSA-N -1 0 310.354 -0.670 20 0 DBADRM OC[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)Cc1ccco1 ZINC001593525370 1016906969 /nfs/dbraw/zinc/90/69/69/1016906969.db2.gz UKNTWOYZQOWRIV-SECBINFHSA-N -1 0 301.310 -0.065 20 0 DBADRM C[C@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)C(=O)[O-] ZINC001593527488 1016907893 /nfs/dbraw/zinc/90/78/93/1016907893.db2.gz HHTJJTAJFYKISD-ZETCQYMHSA-N -1 0 312.278 -0.564 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)O[C@@H](C)C(=O)C(=O)[O-])n1cccn1 ZINC001593527283 1016908242 /nfs/dbraw/zinc/90/82/42/1016908242.db2.gz DYPFZYUXQAPMTP-BDAKNGLRSA-N -1 0 311.294 -0.512 20 0 DBADRM CNC(=O)CCCC(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001419107760 1004809232 /nfs/dbraw/zinc/80/92/32/1004809232.db2.gz GJYXHIFBRIGCFO-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM CC(C)(C)C(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001419143174 1004819139 /nfs/dbraw/zinc/81/91/39/1004819139.db2.gz IJIANZVFLACITM-UHFFFAOYSA-N -1 0 310.402 -0.210 20 0 DBADRM C[C@H](OC(=O)CN1C(=O)CN(C)C1=O)C(=O)C(C)(C)C(=O)[O-] ZINC001593527714 1016910024 /nfs/dbraw/zinc/91/00/24/1016910024.db2.gz LQXONZCIRMPNMG-ZETCQYMHSA-N -1 0 314.294 -0.508 20 0 DBADRM C[C@@H](OC(=O)CN1C(=O)CN(C)C1=O)C(=O)C(C)(C)C(=O)[O-] ZINC001593527713 1016910038 /nfs/dbraw/zinc/91/00/38/1016910038.db2.gz LQXONZCIRMPNMG-SSDOTTSWSA-N -1 0 314.294 -0.508 20 0 DBADRM C[C@@H](OC(=O)CNC(=O)OCC(F)(F)F)C(=O)C(=O)[O-] ZINC001593534186 1016911247 /nfs/dbraw/zinc/91/12/47/1016911247.db2.gz RHAPPPVQUPQBAX-SCSAIBSYSA-N -1 0 301.173 -0.140 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC001419289514 1004851068 /nfs/dbraw/zinc/85/10/68/1004851068.db2.gz NZOFTBSQRQRETQ-UHFFFAOYSA-N -1 0 308.269 -0.442 20 0 DBADRM C[C@H](OC(=O)CNC(=O)OCC(F)(F)F)C(=O)C(=O)[O-] ZINC001593534185 1016912547 /nfs/dbraw/zinc/91/25/47/1016912547.db2.gz RHAPPPVQUPQBAX-BYPYZUCNSA-N -1 0 301.173 -0.140 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)CCc2nnn[n-]2)CC12COC2 ZINC001419310992 1004855628 /nfs/dbraw/zinc/85/56/28/1004855628.db2.gz QOQUJKXUIFYRNM-VIFPVBQESA-N -1 0 309.326 -0.830 20 0 DBADRM C[C@@H](OC(=O)COCC(=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1 ZINC001593533846 1016915257 /nfs/dbraw/zinc/91/52/57/1016915257.db2.gz HQWSEKDEBKEOGR-MRVPVSSYSA-N -1 0 324.289 -0.243 20 0 DBADRM COC[C@H](NC(=O)c1cccc(C(=O)OC)n1)c1nnn[n-]1 ZINC001419552106 1004898666 /nfs/dbraw/zinc/89/86/66/1004898666.db2.gz KAZBBVFVCYJVRT-VIFPVBQESA-N -1 0 306.282 -0.501 20 0 DBADRM COC[C@@H](NC(=O)c1c2c(nn1C)CCCC2)c1nnn[n-]1 ZINC001419552011 1004898765 /nfs/dbraw/zinc/89/87/65/1004898765.db2.gz JJKFGQVUXJPANM-SNVBAGLBSA-N -1 0 305.342 -0.071 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001419558118 1004899674 /nfs/dbraw/zinc/89/96/74/1004899674.db2.gz VEGBVKKBQDXZCP-ZJUUUORDSA-N -1 0 313.358 -0.748 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CNC(=O)c2ccccc21)c1nnn[n-]1 ZINC001419560400 1004900146 /nfs/dbraw/zinc/90/01/46/1004900146.db2.gz ZORRRYXFXQPROI-MNOVXSKESA-N -1 0 316.321 -0.469 20 0 DBADRM CCN1CCO[C@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001419567545 1004903839 /nfs/dbraw/zinc/90/38/39/1004903839.db2.gz MIFYFIPNIYJPMC-SECBINFHSA-N -1 0 311.342 -0.948 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001419567548 1004904166 /nfs/dbraw/zinc/90/41/66/1004904166.db2.gz MIFYFIPNIYJPMC-VIFPVBQESA-N -1 0 311.342 -0.948 20 0 DBADRM C[C@@H](OC(=O)Cn1ncc2ccccc2c1=O)C(=O)C(=O)[O-] ZINC001593542984 1016918768 /nfs/dbraw/zinc/91/87/68/1016918768.db2.gz ZVVFZVRAAAVWDA-MRVPVSSYSA-N -1 0 304.258 -0.018 20 0 DBADRM C[C@@H](OC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)N1CCCCC1 ZINC001593542633 1016918781 /nfs/dbraw/zinc/91/87/81/1016918781.db2.gz TYVOSXDKZWHKDL-SECBINFHSA-N -1 0 310.310 -0.080 20 0 DBADRM COc1c[nH]c(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)cc1=O ZINC001419600503 1004914204 /nfs/dbraw/zinc/91/42/04/1004914204.db2.gz XNVNEONLZJDDSH-SECBINFHSA-N -1 0 318.337 -0.009 20 0 DBADRM c1ncn(-c2ccc(CNc3ccnc(-c4nnn[n-]4)n3)cn2)n1 ZINC001593560546 1016926467 /nfs/dbraw/zinc/92/64/67/1016926467.db2.gz GHEGLRYQIADJEY-UHFFFAOYSA-N -1 0 321.308 -0.334 20 0 DBADRM C[C@H](OC(=O)c1c[nH]nc1-c1cnn(C)c1)C(=O)NCC(=O)[O-] ZINC001593552863 1016926634 /nfs/dbraw/zinc/92/66/34/1016926634.db2.gz HIUJDKVVYMMLRK-ZETCQYMHSA-N -1 0 321.293 -0.444 20 0 DBADRM c1nc(-c2nnn[n-]2)nn1CCNc1ccnc2cccnc21 ZINC001593588324 1016921665 /nfs/dbraw/zinc/92/16/65/1016921665.db2.gz UVTLVMSLALGPJO-UHFFFAOYSA-N -1 0 308.309 -0.065 20 0 DBADRM C[C@H](OC(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)NC(N)=O ZINC001593583723 1016921819 /nfs/dbraw/zinc/92/18/19/1016921819.db2.gz ADHQDTCVGIHHAD-ZETCQYMHSA-N -1 0 310.262 -0.110 20 0 DBADRM c1nc(-c2nnn[n-]2)nn1CCNc1ccnc2ccncc21 ZINC001593567079 1016922851 /nfs/dbraw/zinc/92/28/51/1016922851.db2.gz ZYUGZVMLJDUQIV-UHFFFAOYSA-N -1 0 308.309 -0.065 20 0 DBADRM C[C@H](OC(=O)c1cccc(C(=O)[O-])n1)C(=O)N1CCNC1=O ZINC001593586439 1016923124 /nfs/dbraw/zinc/92/31/24/1016923124.db2.gz VVKBUGYSTIPLFN-ZETCQYMHSA-N -1 0 307.262 -0.123 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001419821538 1004989576 /nfs/dbraw/zinc/98/95/76/1004989576.db2.gz BFLSJCKXONGMJN-WHUPJOBBSA-N -1 0 302.356 -0.617 20 0 DBADRM c1cc(N[C@H]2CCO[C@]3(CCOC3)C2)nc(-c2nnn[n-]2)n1 ZINC001593559475 1016923834 /nfs/dbraw/zinc/92/38/34/1016923834.db2.gz ZDLIJYVWBJAYPJ-TVQRCGJNSA-N -1 0 303.326 -0.171 20 0 DBADRM C[C@@H](OC(=O)c1cnc(C(=O)[O-])cn1)C(=O)NC(=O)NC1CC1 ZINC001593597455 1016930715 /nfs/dbraw/zinc/93/07/15/1016930715.db2.gz ZADZTDIIAFQFCC-ZCFIWIBFSA-N -1 0 322.277 -0.292 20 0 DBADRM C[C@H](OC[C@@H]1CCCCO1)C(=O)NCC(=O)NCC(=O)[O-] ZINC001593605869 1016930864 /nfs/dbraw/zinc/93/08/64/1016930864.db2.gz BTCNOTGUTOBJJA-UWVGGRQHSA-N -1 0 302.327 -0.722 20 0 DBADRM C[C@@H](c1nccc(N)n1)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001593738112 1016935688 /nfs/dbraw/zinc/93/56/88/1016935688.db2.gz XBUVZBZVKRGDCK-DTWKUNHWSA-N -1 0 314.367 -0.307 20 0 DBADRM C[NH+](C)CCN(CC(=O)[O-])C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001593699491 1016935698 /nfs/dbraw/zinc/93/56/98/1016935698.db2.gz KUSQXVVLGUVQGV-UHFFFAOYSA-N -1 0 303.344 -0.923 20 0 DBADRM C[C@@]1(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CCC(=O)NC1 ZINC001593745389 1016935750 /nfs/dbraw/zinc/93/57/50/1016935750.db2.gz MOEHQVSXPHMRHO-KGLIPLIRSA-N -1 0 309.322 -0.265 20 0 DBADRM C[C@H](c1nccc(N)n1)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001593738111 1016936248 /nfs/dbraw/zinc/93/62/48/1016936248.db2.gz XBUVZBZVKRGDCK-BDAKNGLRSA-N -1 0 314.367 -0.307 20 0 DBADRM C[C@]1(C(=O)N2CC[C@](O)(C(=O)[O-])C2)Oc2ccccc2NC1=O ZINC001593745661 1016936260 /nfs/dbraw/zinc/93/62/60/1016936260.db2.gz WJHPJBXSOCTCHQ-LSDHHAIUSA-N -1 0 320.301 -0.176 20 0 DBADRM C[C@@]1(C(=O)NCC(=O)NCC(=O)[O-])Cc2ccccc2C(=O)O1 ZINC001593749138 1016937845 /nfs/dbraw/zinc/93/78/45/1016937845.db2.gz IQKJPRINJPVGAG-HNNXBMFYSA-N -1 0 320.301 -0.525 20 0 DBADRM C[C@@]1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CCCCO1 ZINC001593756116 1016937920 /nfs/dbraw/zinc/93/79/20/1016937920.db2.gz CCZBANBASPTDAK-TVYUQYBPSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@]1(C(=O)NCCNc2ncc(C(=O)[O-])cn2)CCNC1=O ZINC001593753735 1016937930 /nfs/dbraw/zinc/93/79/30/1016937930.db2.gz HVHNWRGWCSKBNS-CYBMUJFWSA-N -1 0 307.310 -0.771 20 0 DBADRM C[C@]1(C(=O)NC[C@@H](O)CNc2ccnc(C(=O)[O-])n2)C=CCC1 ZINC001593749840 1016938308 /nfs/dbraw/zinc/93/83/08/1016938308.db2.gz TYMWEYBSOADLBQ-BONVTDFDSA-N -1 0 320.349 -0.158 20 0 DBADRM CC1(C)CC(=O)N(CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001593843699 1016941822 /nfs/dbraw/zinc/94/18/22/1016941822.db2.gz QIJRINCYQOGQNG-VIFPVBQESA-N -1 0 321.337 -0.034 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)[C@@H]2CCO[C@@H]21 ZINC001593833584 1016941988 /nfs/dbraw/zinc/94/19/88/1016941988.db2.gz RRSKAJDHDNJESI-MMWGEVLESA-N -1 0 310.350 -0.151 20 0 DBADRM CC1(C)CC(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001593843545 1016942158 /nfs/dbraw/zinc/94/21/58/1016942158.db2.gz GDFZGVTVIPUUTK-UHFFFAOYSA-N -1 0 316.339 -0.603 20 0 DBADRM CC1(CNC(=O)C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001594013689 1016948907 /nfs/dbraw/zinc/94/89/07/1016948907.db2.gz UAODOKFDHGWPQY-SECBINFHSA-N -1 0 321.337 -0.334 20 0 DBADRM CC1(C)CCC(=O)N1CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001593871141 1016943279 /nfs/dbraw/zinc/94/32/79/1016943279.db2.gz PNSYXNQQBMZCIS-JTQLQIEISA-N -1 0 318.395 -0.081 20 0 DBADRM CC1(C)COC(=O)[C@H]1OC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001593952482 1016944459 /nfs/dbraw/zinc/94/44/59/1016944459.db2.gz AZBLZNRXGPPCAO-WCBMZHEXSA-N -1 0 313.306 -0.196 20 0 DBADRM CC1(C)CO[C@@H](CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC001593955290 1016944543 /nfs/dbraw/zinc/94/45/43/1016944543.db2.gz UULYLJNHIFOLPO-NXEZZACHSA-N -1 0 314.338 -0.770 20 0 DBADRM CC1(C)C[S@@](=O)CCN1CCc1cn(CC(=O)[O-])nn1 ZINC001593960531 1016944790 /nfs/dbraw/zinc/94/47/90/1016944790.db2.gz BWOLYSRRUAFJHB-FQEVSTJZSA-N -1 0 300.384 -0.252 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1O ZINC001593965245 1016945183 /nfs/dbraw/zinc/94/51/83/1016945183.db2.gz RKTJXJNIXUARKC-GMTAPVOTSA-N -1 0 320.349 -0.113 20 0 DBADRM Cc1cnc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)nc1 ZINC001420259466 1005175859 /nfs/dbraw/zinc/17/58/59/1005175859.db2.gz KKAOKZYSCJAVRX-UHFFFAOYSA-N -1 0 319.325 -0.757 20 0 DBADRM C[C@]1(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)CCS(=O)(=O)N1 ZINC001593995942 1016946210 /nfs/dbraw/zinc/94/62/10/1016946210.db2.gz BLSZBYPXHRUJIU-BXKDBHETSA-N -1 0 320.367 -0.840 20 0 DBADRM NC(=O)[C@]12CCC[C@H]1CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C2 ZINC001420287803 1005188831 /nfs/dbraw/zinc/18/88/31/1005188831.db2.gz AUVVOFUPABPCLN-XPTSAGLGSA-N -1 0 323.353 -0.417 20 0 DBADRM C[C@@]1(CCC(=O)[O-])NC(=O)N(CC(=O)Nc2ccon2)C1=O ZINC001594001556 1016946979 /nfs/dbraw/zinc/94/69/79/1016946979.db2.gz GOBYSXGSMITWBN-LBPRGKRZSA-N -1 0 310.266 -0.212 20 0 DBADRM C[C@]1(CCCC(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)NC(=O)NC1=O ZINC001594000461 1016947175 /nfs/dbraw/zinc/94/71/75/1016947175.db2.gz BIKHRSDXFKOWQE-PHMRXVJOSA-N -1 0 323.349 -0.020 20 0 DBADRM C[C@]1(CC(=O)N2CCC[C@H]2CC(=O)[O-])CCS(=O)(=O)N1 ZINC001593996161 1016947471 /nfs/dbraw/zinc/94/74/71/1016947471.db2.gz JRMKKKXLSLGUCG-JOYOIKCWSA-N -1 0 304.368 -0.076 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC3CC2(C(=O)[O-])C3)C1=O ZINC001593991728 1016947752 /nfs/dbraw/zinc/94/77/52/1016947752.db2.gz OWIOEJZLLZADMX-MLRNSFOPSA-N -1 0 321.333 -0.218 20 0 DBADRM C[C@@]1(CCCC(=O)NCc2ocnc2C(=O)[O-])NC(=O)NC1=O ZINC001594000433 1016947857 /nfs/dbraw/zinc/94/78/57/1016947857.db2.gz ASUMNBHDJQDFPD-ZDUSSCGKSA-N -1 0 324.293 -0.243 20 0 DBADRM CCn1cc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)c(C)n1 ZINC001420309332 1005203852 /nfs/dbraw/zinc/20/38/52/1005203852.db2.gz RWEIWEYCGQGLTK-UHFFFAOYSA-N -1 0 307.358 -0.103 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCOC1 ZINC001594012071 1016949485 /nfs/dbraw/zinc/94/94/85/1016949485.db2.gz CJQDQMGQTZTXOK-IINYFYTJSA-N -1 0 314.338 -0.769 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCOC1 ZINC001594012069 1016950244 /nfs/dbraw/zinc/95/02/44/1016950244.db2.gz CJQDQMGQTZTXOK-HZMBPMFUSA-N -1 0 314.338 -0.769 20 0 DBADRM C[C@]1(CO)C[C@@H](O)CN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001594031635 1016950333 /nfs/dbraw/zinc/95/03/33/1016950333.db2.gz BGKBKKCYMVRIJN-ZWNOBZJWSA-N -1 0 315.347 -0.109 20 0 DBADRM CC1(Cn2cc(C(=O)OCC(=O)C3(C(=O)[O-])CC3)nn2)COC1 ZINC001594043033 1016952138 /nfs/dbraw/zinc/95/21/38/1016952138.db2.gz AYSIIYPGHAVZPX-UHFFFAOYSA-N -1 0 323.305 -0.095 20 0 DBADRM C[C@]1(CS(=O)(=O)NCC(=O)NCC(=O)[O-])CC1(F)F ZINC001594039475 1016952411 /nfs/dbraw/zinc/95/24/11/1016952411.db2.gz OVUAKLNNBLXZOG-MRVPVSSYSA-N -1 0 300.283 -0.848 20 0 DBADRM C[C@]1(c2cnccn2)NC(=O)N(CC(=O)C2(C(=O)[O-])CC2)C1=O ZINC001594080915 1016955573 /nfs/dbraw/zinc/95/55/73/1016955573.db2.gz GSVULZSRAOHDGV-CYBMUJFWSA-N -1 0 318.289 -0.323 20 0 DBADRM CC1(Cn2cc(C(=O)N3CCOC[C@H]3C(=O)[O-])nn2)COC1 ZINC001594043250 1016952861 /nfs/dbraw/zinc/95/28/61/1016952861.db2.gz ITTGHAMNFMHEBW-JTQLQIEISA-N -1 0 310.310 -0.760 20 0 DBADRM CCN(CCNC(=O)C(C)(C)NC(C)=O)Cc1n[nH]c(=O)[n-]1 ZINC001420430499 1005258188 /nfs/dbraw/zinc/25/81/88/1005258188.db2.gz BWSBPPKNAOAGRR-UHFFFAOYSA-N -1 0 312.374 -0.637 20 0 DBADRM C[C@H](NC(=O)[C@](C)(O)Cn1ccccc1=O)c1nn(C)cc1[O-] ZINC001420438227 1005260177 /nfs/dbraw/zinc/26/01/77/1005260177.db2.gz JQRJAIFCHHHXIH-ZUZCIYMTSA-N -1 0 320.349 -0.084 20 0 DBADRM C[C@@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)c1cnc(Cl)n1C ZINC001420449791 1005263201 /nfs/dbraw/zinc/26/32/01/1005263201.db2.gz WIHNPMGUVSFENI-LURJTMIESA-N -1 0 313.749 -0.195 20 0 DBADRM O=C(Cc1cnoc1)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001420487206 1005276490 /nfs/dbraw/zinc/27/64/90/1005276490.db2.gz QPTLBZNTDBRXIW-SNVBAGLBSA-N -1 0 306.326 -0.178 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001420487087 1005276923 /nfs/dbraw/zinc/27/69/23/1005276923.db2.gz URMPKMMCIOCUEB-WDEREUQCSA-N -1 0 324.385 -0.494 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])C1=O ZINC001594108154 1016958749 /nfs/dbraw/zinc/95/87/49/1016958749.db2.gz BJDVVXPFNHPFNI-CMPLNLGQSA-N -1 0 324.333 -0.482 20 0 DBADRM CC1=C(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)Cn2nnnc2N1C ZINC001594091796 1016959473 /nfs/dbraw/zinc/95/94/73/1016959473.db2.gz CBULROHUCXPBQQ-WCBMZHEXSA-N -1 0 320.353 -0.034 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C1=O ZINC001594108574 1016959626 /nfs/dbraw/zinc/95/96/26/1016959626.db2.gz RZLDZLKJGDPGRQ-KWQFWETISA-N -1 0 324.333 -0.218 20 0 DBADRM COc1cccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC001594128369 1016960635 /nfs/dbraw/zinc/96/06/35/1016960635.db2.gz MTVVRFVUPMLFJD-SECBINFHSA-N -1 0 307.306 -0.361 20 0 DBADRM Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001420567269 1005305043 /nfs/dbraw/zinc/30/50/43/1005305043.db2.gz IXYINMLFOTWHHW-SECBINFHSA-N -1 0 305.342 -0.141 20 0 DBADRM COc1cccc([S@@](=O)CC(=O)OCC(=O)C(=O)[O-])c1 ZINC001594135746 1016961217 /nfs/dbraw/zinc/96/12/17/1016961217.db2.gz SRXRYFVLXQPNNX-FQEVSTJZSA-N -1 0 300.288 0.000 20 0 DBADRM C[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-])C2 ZINC001594087790 1016955809 /nfs/dbraw/zinc/95/58/09/1016955809.db2.gz MKNLTONFSJEMRZ-HFAKWTLXSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C(CCn1cccn1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001420632269 1005324680 /nfs/dbraw/zinc/32/46/80/1005324680.db2.gz OKNQAAOAQPULQG-UHFFFAOYSA-N -1 0 319.369 -0.122 20 0 DBADRM C[C@]12CN(C(=O)C34CC(C(=O)[O-])(C3)C4)C[C@@]1(C)C(=O)NC2=O ZINC001594088761 1016956033 /nfs/dbraw/zinc/95/60/33/1016956033.db2.gz SGYYGKBQZBGBPG-DGKWVBSXSA-N -1 0 306.318 -0.248 20 0 DBADRM CC1=C(C(=O)N2CC(C)(C(=O)[O-])C2)[C@H](C)n2nnnc2N1C ZINC001594090736 1016956122 /nfs/dbraw/zinc/95/61/22/1016956122.db2.gz RLCFLJUULJFSOO-QMMMGPOBSA-N -1 0 306.326 -0.109 20 0 DBADRM C[C@@]12COC[C@@H]1CN(S(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C2 ZINC001594090019 1016956605 /nfs/dbraw/zinc/95/66/05/1016956605.db2.gz CQCTWPZZYLXBGA-WRWORJQWSA-N -1 0 301.324 -0.235 20 0 DBADRM C[C@@]1(NS(=O)(=O)c2occc2C(=O)[O-])CCS(=O)(=O)C1 ZINC001594065855 1016956625 /nfs/dbraw/zinc/95/66/25/1016956625.db2.gz HJQBJWPKXHYDOO-SNVBAGLBSA-N -1 0 323.348 -0.167 20 0 DBADRM C[C@]12CN(C(=O)c3cc(C(=O)[O-])ccn3)C[C@]1(C)C(=O)NC2=O ZINC001594089552 1016956683 /nfs/dbraw/zinc/95/66/83/1016956683.db2.gz XUVYJWPXDUPEGT-HUUCEWRRSA-N -1 0 317.301 -0.095 20 0 DBADRM C[C@@]1(O)CCCN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001594065501 1016957037 /nfs/dbraw/zinc/95/70/37/1016957037.db2.gz YPGFPZLRQHUVDH-QMTHXVAHSA-N -1 0 314.338 -0.938 20 0 DBADRM O=C(NCCN(Cc1ccon1)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001420661551 1005335069 /nfs/dbraw/zinc/33/50/69/1005335069.db2.gz UTQHQIPKHGUIAQ-UHFFFAOYSA-N -1 0 320.309 -0.335 20 0 DBADRM CC1=C(C(=O)N[C@H](CC(=O)[O-])C2CC2)Cn2nnnc2N1C ZINC001594092371 1016957956 /nfs/dbraw/zinc/95/79/56/1016957956.db2.gz OBQIRIAHZBUYIX-SNVBAGLBSA-N -1 0 306.326 -0.234 20 0 DBADRM CC1=C(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)S(=O)(=O)CCO1 ZINC001594092494 1016958114 /nfs/dbraw/zinc/95/81/14/1016958114.db2.gz ULDSKPWGYMEKTK-VIFPVBQESA-N -1 0 319.335 -0.635 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cccn(C)c1=O ZINC001594139509 1016963797 /nfs/dbraw/zinc/96/37/97/1016963797.db2.gz BLOKVFJNGHVEIF-RKDXNWHRSA-N -1 0 307.306 -0.355 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCOc1cccnc1 ZINC001594139106 1016964099 /nfs/dbraw/zinc/96/40/99/1016964099.db2.gz RNGQTBFYWFFJSG-PWSUYJOCSA-N -1 0 321.333 -0.102 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001594139833 1016964656 /nfs/dbraw/zinc/96/46/56/1016964656.db2.gz WEBZZHSJWZXWBQ-IPDRBYILSA-N -1 0 322.361 -0.152 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCOCC(F)F ZINC001594138156 1016965666 /nfs/dbraw/zinc/96/56/66/1016965666.db2.gz HZPXQBMSQLDUPO-HTQZYQBOSA-N -1 0 308.281 -0.294 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001594147371 1016967792 /nfs/dbraw/zinc/96/77/92/1016967792.db2.gz MIXVLQMELDKOKD-NXEZZACHSA-N -1 0 304.368 -0.962 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001594147641 1016967804 /nfs/dbraw/zinc/96/78/04/1016967804.db2.gz SRCINPHHDGUSTL-VHSXEESVSA-N -1 0 308.338 -0.297 20 0 DBADRM COc1cnc([C@H]2CCCN2C(=O)COCC(=O)[O-])[nH]c1=O ZINC001594153350 1016967911 /nfs/dbraw/zinc/96/79/11/1016967911.db2.gz UKONWLFWSKKZHJ-MRVPVSSYSA-N -1 0 311.294 -0.045 20 0 DBADRM COc1coc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cc1=O ZINC001594154940 1016968046 /nfs/dbraw/zinc/96/80/46/1016968046.db2.gz LBQSGOMGCAEWCE-LLVKDONJSA-N -1 0 307.262 -0.062 20 0 DBADRM COc1cncc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1C ZINC001594154864 1016968230 /nfs/dbraw/zinc/96/82/30/1016968230.db2.gz MEFHOYAUQYZCPO-UHFFFAOYSA-N -1 0 307.306 -0.232 20 0 DBADRM COc1cncnc1NC(=O)C(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC001594154672 1016968560 /nfs/dbraw/zinc/96/85/60/1016968560.db2.gz AJMVSOMDQCGAMJ-SSDOTTSWSA-N -1 0 308.294 -0.112 20 0 DBADRM COc1ccnc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC001594150210 1016968786 /nfs/dbraw/zinc/96/87/86/1016968786.db2.gz CIMWDAADBNSMDC-LLVKDONJSA-N -1 0 300.336 -0.226 20 0 DBADRM COc1ncc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])s1 ZINC001594157148 1016969955 /nfs/dbraw/zinc/96/99/55/1016969955.db2.gz MVUMCJKLSOGQKB-MRVPVSSYSA-N -1 0 306.365 -0.165 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC001594158536 1016969984 /nfs/dbraw/zinc/96/99/84/1016969984.db2.gz IOQZPLLWHRHLPK-VXNVDRBHSA-N -1 0 313.335 -0.336 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC001594162225 1016970872 /nfs/dbraw/zinc/97/08/72/1016970872.db2.gz NIDPZALQPPJBNL-JGVFFNPUSA-N -1 0 317.305 -0.237 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594164333 1016972856 /nfs/dbraw/zinc/97/28/56/1016972856.db2.gz SGXUAWTYAHLNOV-WGAJWPLOSA-N -1 0 317.319 -0.487 20 0 DBADRM COc1ncc(/C=C\C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cn1 ZINC001594157196 1016971798 /nfs/dbraw/zinc/97/17/98/1016971798.db2.gz NVCMWZDHFPZGES-IHWYPQMZSA-N -1 0 320.305 -0.746 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594163663 1016972982 /nfs/dbraw/zinc/97/29/82/1016972982.db2.gz IQDGRAPMQWQFRV-APPZFPTMSA-N -1 0 304.324 -0.891 20 0 DBADRM CS(=O)(=O)CCCCCNC(=O)c1cn(CC(=O)[O-])nn1 ZINC001594165614 1016973444 /nfs/dbraw/zinc/97/34/44/1016973444.db2.gz YOZUCAIVNRCLQF-UHFFFAOYSA-N -1 0 318.355 -0.693 20 0 DBADRM CS(=O)(=O)C1CCN(CN2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001594164616 1016973750 /nfs/dbraw/zinc/97/37/50/1016973750.db2.gz UTJYGEJPZNLJND-SECBINFHSA-N -1 0 304.368 -0.614 20 0 DBADRM CS(=O)(=O)CCCCCNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001594165520 1016973965 /nfs/dbraw/zinc/97/39/65/1016973965.db2.gz SOAWZTVOSBVSAV-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM CS(=O)(=O)CC[C@H]1CCCCN1CC(=O)NCC(=O)[O-] ZINC001594164877 1016974118 /nfs/dbraw/zinc/97/41/18/1016974118.db2.gz BXONBWXPFHJJBI-SNVBAGLBSA-N -1 0 306.384 -0.524 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001594164405 1016974483 /nfs/dbraw/zinc/97/44/83/1016974483.db2.gz VKVHGRKIIORSLX-MNOVXSKESA-N -1 0 318.395 -0.429 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001594164437 1016974529 /nfs/dbraw/zinc/97/45/29/1016974529.db2.gz PMJACMFTUVTFEI-QMMMGPOBSA-N -1 0 313.335 -0.176 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1nnnn1CC(=O)N1CCCCC1 ZINC001594172941 1016978811 /nfs/dbraw/zinc/97/88/11/1016978811.db2.gz IWXFYBMCIKDZJB-MNOVXSKESA-N -1 0 322.369 -0.015 20 0 DBADRM CS(=O)(=O)Cc1noc(COC(=O)C2(C(=O)[O-])CCC2)n1 ZINC001594167629 1016975596 /nfs/dbraw/zinc/97/55/96/1016975596.db2.gz BHWCIGSNBSKIFS-UHFFFAOYSA-N -1 0 318.307 -0.088 20 0 DBADRM CS(=O)(=O)Cc1ccccc1CNC(=O)COCC(=O)[O-] ZINC001594168690 1016975833 /nfs/dbraw/zinc/97/58/33/1016975833.db2.gz WOWUSKRBTBJBHW-UHFFFAOYSA-N -1 0 315.347 -0.051 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)C2(CC(=O)[O-])CCC2)C1 ZINC001594168756 1016976134 /nfs/dbraw/zinc/97/61/34/1016976134.db2.gz YZNNXQAESJHXID-UHFFFAOYSA-N -1 0 304.368 -0.361 20 0 DBADRM CS(=O)(=O)N1CC[C@H](COC(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC001594169705 1016976410 /nfs/dbraw/zinc/97/64/10/1016976410.db2.gz GOOBJDKBAHQGAV-WPRPVWTQSA-N -1 0 305.352 -0.078 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001594169608 1016976426 /nfs/dbraw/zinc/97/64/26/1016976426.db2.gz YZVUWEGBNVTHCE-VHSXEESVSA-N -1 0 322.383 -0.688 20 0 DBADRM CS(=O)(=O)Cc1noc(NC(=O)[C@H](C(=O)[O-])C2CC2)n1 ZINC001594167617 1016976749 /nfs/dbraw/zinc/97/67/49/1016976749.db2.gz BBGJXZAQVYSYQW-SSDOTTSWSA-N -1 0 303.296 -0.337 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001594169831 1016976903 /nfs/dbraw/zinc/97/69/03/1016976903.db2.gz KBDJTKXUKMQNKX-UHFFFAOYSA-N -1 0 316.339 -0.785 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001594169979 1016976960 /nfs/dbraw/zinc/97/69/60/1016976960.db2.gz GNGRDDYRDBWQQL-JTQLQIEISA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1nnnn1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001594174952 1016977989 /nfs/dbraw/zinc/97/79/89/1016977989.db2.gz UCOWYIUWZDFTDB-ZIQFBCGOSA-N -1 0 323.353 -0.224 20 0 DBADRM CS(=O)(=O)c1ccc2ncn(CC(=O)C(=O)[O-])c(=O)c2c1 ZINC001594174903 1016978280 /nfs/dbraw/zinc/97/82/80/1016978280.db2.gz VKZRZFMVENJDSH-UHFFFAOYSA-N -1 0 310.287 -0.546 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1nnnn1CCCN1CCOCC1 ZINC001594175491 1016978387 /nfs/dbraw/zinc/97/83/87/1016978387.db2.gz YCMPARPMNZKKIH-RYUDHWBXSA-N -1 0 324.385 -0.305 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001594170394 1016978599 /nfs/dbraw/zinc/97/85/99/1016978599.db2.gz MXYCFAZYOGAYQD-LPEHRKFASA-N -1 0 319.383 -0.570 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001594178357 1016978644 /nfs/dbraw/zinc/97/86/44/1016978644.db2.gz JVJMRLHLYRWJOS-OAQYLSRUSA-N -1 0 314.407 -0.070 20 0 DBADRM CS(=O)(=O)Nc1cccc(CC(=O)OCC(=O)C(=O)[O-])c1 ZINC001594171570 1016979583 /nfs/dbraw/zinc/97/95/83/1016979583.db2.gz RLMKTOGHIBCYQB-UHFFFAOYSA-N -1 0 315.303 -0.203 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])o1 ZINC001594175365 1016979748 /nfs/dbraw/zinc/97/97/48/1016979748.db2.gz ZOJUSEHXHLXMKE-SSDOTTSWSA-N -1 0 303.292 -0.391 20 0 DBADRM C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CCN1C ZINC001594177593 1016979842 /nfs/dbraw/zinc/97/98/42/1016979842.db2.gz ZYFFRHRBUGFEGQ-SFYZADRCSA-N -1 0 302.356 -0.179 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)C1 ZINC001594171541 1016980092 /nfs/dbraw/zinc/98/00/92/1016980092.db2.gz PHDXSSKWFOAORT-NAKRPEOUSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@@H]1[C@@H](OC(=O)Cn2cccc(C(=O)[O-])c2=O)CC(=O)N1C ZINC001594191824 1016985030 /nfs/dbraw/zinc/98/50/30/1016985030.db2.gz FQWRUNCEOGJSFR-SCZZXKLOSA-N -1 0 308.290 -0.291 20 0 DBADRM CSC[C@@](C)(O)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594185799 1016981591 /nfs/dbraw/zinc/98/15/91/1016981591.db2.gz QIVWCZZZYFXEHC-ZANVPECISA-N -1 0 318.395 -0.460 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001594179840 1016982082 /nfs/dbraw/zinc/98/20/82/1016982082.db2.gz RIDMCSLQHIVHCB-IUCAKERBSA-N -1 0 315.351 -0.385 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cn(C)nc1Br)C(=O)[O-] ZINC001594208600 1016985177 /nfs/dbraw/zinc/98/51/77/1016985177.db2.gz CJABWQHUOGBZAK-SCSAIBSYSA-N -1 0 312.145 -0.066 20 0 DBADRM C[C@@H](NC(=O)c1cn(CCO)nc1C1CCOCC1)C(=O)[O-] ZINC001594206478 1016985302 /nfs/dbraw/zinc/98/53/02/1016985302.db2.gz SLLOWASDXKBNFK-SECBINFHSA-N -1 0 311.338 -0.028 20 0 DBADRM C[C@@H](C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1)n1cccn1 ZINC001496658812 1016983776 /nfs/dbraw/zinc/98/37/76/1016983776.db2.gz HFJUYTQXGPDVAI-JTQLQIEISA-N -1 0 307.358 -0.142 20 0 DBADRM C[C@H]1CC(=O)NCCN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001594198551 1016983599 /nfs/dbraw/zinc/98/35/99/1016983599.db2.gz LTKOVFCJDCFQBY-QMMMGPOBSA-N -1 0 313.335 -0.321 20 0 DBADRM C[C@@H](NC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC001594206886 1016983870 /nfs/dbraw/zinc/98/38/70/1016983870.db2.gz YFORVMWONDXFQP-RXMQYKEDSA-N -1 0 311.319 -0.498 20 0 DBADRM C[C@@H]1CC(=O)NCCN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594198298 1016984132 /nfs/dbraw/zinc/98/41/32/1016984132.db2.gz GQVDNRFLLIFPPB-SECBINFHSA-N -1 0 306.322 -0.071 20 0 DBADRM CSc1ccncc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001594197974 1016984305 /nfs/dbraw/zinc/98/43/05/1016984305.db2.gz PSLMWTCWUUXCAO-GFCCVEGCSA-N -1 0 313.335 -0.306 20 0 DBADRM C[C@]12CN(C(=O)NCCC(=O)[O-])C[C@@]1(C)CS(=O)(=O)C2 ZINC001594230810 1016987162 /nfs/dbraw/zinc/98/71/62/1016987162.db2.gz AYZRZABBHMBHHG-TXEJJXNPSA-N -1 0 304.368 -0.073 20 0 DBADRM C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])O1 ZINC001594217129 1016987301 /nfs/dbraw/zinc/98/73/01/1016987301.db2.gz OXPPZGKUQPPRTH-JLIMGVALSA-N -1 0 305.352 -0.490 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001594221115 1016987755 /nfs/dbraw/zinc/98/77/55/1016987755.db2.gz LMSKBAKBGOOVHE-ZJUUUORDSA-N -1 0 319.379 -0.193 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001594224425 1016988284 /nfs/dbraw/zinc/98/82/84/1016988284.db2.gz COTAYFUTCBCLQW-LNLATYFQSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@]1(CO)CN(C(=O)C2(C(=O)[O-])CCOCC2)C[C@@]1(C)CO ZINC001594231753 1016990075 /nfs/dbraw/zinc/99/00/75/1016990075.db2.gz XWNCTBYIKOAYLY-OKILXGFUSA-N -1 0 315.366 -0.293 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1C[C@H](C)C[C@H](CO)C1)C(=O)[O-] ZINC001594244184 1016989202 /nfs/dbraw/zinc/98/92/02/1016989202.db2.gz UPCLOGDGUKEDHJ-RCWTZXSCSA-N -1 0 315.370 -0.376 20 0 DBADRM C[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)nc1)C(=O)[O-] ZINC001594243585 1016989264 /nfs/dbraw/zinc/98/92/64/1016989264.db2.gz QFZXTDJKJXDVRZ-ZETCQYMHSA-N -1 0 302.308 -0.038 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)OCc1cn(CC(=O)[O-])nn1 ZINC001594239992 1016989764 /nfs/dbraw/zinc/98/97/64/1016989764.db2.gz YKYSPKYZAGLRQF-QMMMGPOBSA-N -1 0 322.277 -0.183 20 0 DBADRM CC1CC(CNC(=O)C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001594238961 1016989865 /nfs/dbraw/zinc/98/98/65/1016989865.db2.gz IIJGGUJOKWIYHH-HKJQSTPSSA-N -1 0 323.349 -0.019 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001594242490 1016990668 /nfs/dbraw/zinc/99/06/68/1016990668.db2.gz IEGHPOJJMRXOLZ-JTQLQIEISA-N -1 0 311.342 -0.502 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1)C(=O)[O-] ZINC001594232949 1016990838 /nfs/dbraw/zinc/99/08/38/1016990838.db2.gz ITCPNTZAEKDASF-DTWKUNHWSA-N -1 0 310.310 -0.553 20 0 DBADRM C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])C1 ZINC001594243767 1016991138 /nfs/dbraw/zinc/99/11/38/1016991138.db2.gz POIQRDMBWMDTOH-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM CC1CC(CNC(=O)C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001594238960 1016991373 /nfs/dbraw/zinc/99/13/73/1016991373.db2.gz IIJGGUJOKWIYHH-HEEBCNDISA-N -1 0 323.349 -0.019 20 0 DBADRM C[C@H]1C[C@@H](CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CCO1 ZINC001594243886 1016991442 /nfs/dbraw/zinc/99/14/42/1016991442.db2.gz RVDUMUOCAPGIPV-XWLWVQCSSA-N -1 0 307.368 -0.037 20 0 DBADRM C[C@]12CN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])C[C@H]1CS(=O)(=O)C2 ZINC001594246725 1016993526 /nfs/dbraw/zinc/99/35/26/1016993526.db2.gz BELCHEQRHRVFGD-DCJFZGGZSA-N -1 0 301.364 -0.010 20 0 DBADRM C[C@H]1C[C@@H](O)CN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001594246816 1016994567 /nfs/dbraw/zinc/99/45/67/1016994567.db2.gz WVPXZYWLOVLWQA-WDEREUQCSA-N -1 0 304.343 -0.484 20 0 DBADRM CC1CC(NC(=O)C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001594250635 1016994736 /nfs/dbraw/zinc/99/47/36/1016994736.db2.gz WBELJIFCMBRWRE-RTBKNWGFSA-N -1 0 321.337 -0.336 20 0 DBADRM C[C@@H]1CC[C@H](NS(=O)(=O)CCCC(=O)[O-])CS1(=O)=O ZINC001594326184 1017000051 /nfs/dbraw/zinc/00/00/51/1017000051.db2.gz GKUWISATMCXLSH-BDAKNGLRSA-N -1 0 313.397 -0.264 20 0 DBADRM C[C@@H]1CCC[C@H](NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001594350592 1017000762 /nfs/dbraw/zinc/00/07/62/1017000762.db2.gz RNWXBQAVBASINN-NOOOWODRSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1C[C@@H](S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)CCO1 ZINC001594266413 1016996446 /nfs/dbraw/zinc/99/64/46/1016996446.db2.gz OFBWKABDAQSVIH-NEPJUHHUSA-N -1 0 320.411 -0.024 20 0 DBADRM Cc1c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)nnn1-c1cnn(C)c1 ZINC001594258994 1016997247 /nfs/dbraw/zinc/99/72/47/1016997247.db2.gz ZMLYQFRUFYETQC-DTORHVGOSA-N -1 0 304.310 -0.098 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)nnn1C ZINC001594263496 1016997423 /nfs/dbraw/zinc/99/74/23/1016997423.db2.gz XWKLTTOTPUNBAO-IONNQARKSA-N -1 0 309.326 -0.369 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)Cn2cc(C(=O)[O-])nn2)CS1(=O)=O ZINC001594315180 1016999275 /nfs/dbraw/zinc/99/92/75/1016999275.db2.gz VBLUXDGONFJEKY-YUMQZZPRSA-N -1 0 316.339 -0.942 20 0 DBADRM C[C@@H]1CC[C@H](CNC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001594305237 1017001108 /nfs/dbraw/zinc/00/11/08/1017001108.db2.gz KOHSPCBNYKDHSO-NOOOWODRSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC001594379914 1017002128 /nfs/dbraw/zinc/00/21/28/1017002128.db2.gz YMFZYCRJPLYXBK-ONGXEEELSA-N -1 0 308.338 -0.220 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001594388616 1017002379 /nfs/dbraw/zinc/00/23/79/1017002379.db2.gz WTBBWDMIOMTDKC-VHSXEESVSA-N -1 0 319.383 -0.619 20 0 DBADRM C[C@H]1CCCN1C(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001594388964 1017002655 /nfs/dbraw/zinc/00/26/55/1017002655.db2.gz KTSVUEZTYMSCTF-ZIBATOQPSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C[C@H]1CO ZINC001594392659 1017003600 /nfs/dbraw/zinc/00/36/00/1017003600.db2.gz IRZQTEIQHUFNEN-VOBJUBJWSA-N -1 0 312.366 -0.167 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001594386711 1017003861 /nfs/dbraw/zinc/00/38/61/1017003861.db2.gz WWKOUGIZJXYVGM-AWEZNQCLSA-N -1 0 320.305 -0.032 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001594421048 1017006532 /nfs/dbraw/zinc/00/65/32/1017006532.db2.gz ANHQNWATKNWSHQ-OAHLLOKOSA-N -1 0 321.333 -0.045 20 0 DBADRM C[C@H]1CCCN1C(=O)CCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594389684 1017003990 /nfs/dbraw/zinc/00/39/90/1017003990.db2.gz UHDIHGXVXGKISO-WDEREUQCSA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@@H]1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C[C@H]1CO ZINC001594401000 1017004523 /nfs/dbraw/zinc/00/45/23/1017004523.db2.gz POBCXSSFNJVBSV-GRYCIOLGSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)[C@H]1CO ZINC001594395140 1017005285 /nfs/dbraw/zinc/00/52/85/1017005285.db2.gz ZBRPERBMGDRTCM-QKFSQAGISA-N -1 0 324.377 -0.169 20 0 DBADRM Cc1cccc(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC001594410373 1017006265 /nfs/dbraw/zinc/00/62/65/1017006265.db2.gz YZLFAKFYZRZAJY-GFCCVEGCSA-N -1 0 321.333 -0.639 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)[C@@H]1CO ZINC001594396223 1017006331 /nfs/dbraw/zinc/00/63/31/1017006331.db2.gz WIKIAQOFPQSMKL-PSASIEDQSA-N -1 0 307.306 -0.052 20 0 DBADRM CC1CCN(C(=O)CN2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001594400799 1017006711 /nfs/dbraw/zinc/00/67/11/1017006711.db2.gz MBKVMCTXCMFPAB-QWHCGFSZSA-N -1 0 323.393 -0.234 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC[S@]1=O ZINC001594402088 1017006872 /nfs/dbraw/zinc/00/68/72/1017006872.db2.gz OHEQDXOVGWWXMS-ZPWHCFADSA-N -1 0 300.340 -0.654 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)[C@H]1CO ZINC001594395138 1017007756 /nfs/dbraw/zinc/00/77/56/1017007756.db2.gz ZBRPERBMGDRTCM-PTEOKISQSA-N -1 0 324.377 -0.169 20 0 DBADRM COc1cc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001496704587 1017010559 /nfs/dbraw/zinc/01/05/59/1017010559.db2.gz LLLBCXSTOLGALX-UHFFFAOYSA-N -1 0 321.341 -0.487 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)C[C@H]2CCNC2=O)c1[O-] ZINC001428664419 1005983248 /nfs/dbraw/zinc/98/32/48/1005983248.db2.gz QPSGQDRWVIJOKQ-IONNQARKSA-N -1 0 323.353 -0.816 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1scnc1C(=O)[O-] ZINC001594439582 1017011512 /nfs/dbraw/zinc/01/15/12/1017011512.db2.gz UGMJXAAWLCGQGV-WDSKDSINSA-N -1 0 319.364 -0.356 20 0 DBADRM Cc1cncn1CC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594434086 1017011573 /nfs/dbraw/zinc/01/15/73/1017011573.db2.gz XXJCKNDKQSSCLW-LLVKDONJSA-N -1 0 308.338 -0.227 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)Cc1cnc[nH]1 ZINC001496711035 1017012659 /nfs/dbraw/zinc/01/26/59/1017012659.db2.gz AQWGAAKPDHDWME-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM Cc1nc(S(=O)(=O)NCc2nc(CC(=O)[O-])no2)cn1C ZINC001594460775 1017017024 /nfs/dbraw/zinc/01/70/24/1017017024.db2.gz OPUAREZRVZZSCA-UHFFFAOYSA-N -1 0 315.311 -0.783 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])C[C@]2(CCOC2)O1 ZINC001594458807 1017017411 /nfs/dbraw/zinc/01/74/11/1017017411.db2.gz REHJLQIMHAGXRG-HZMBPMFUSA-N -1 0 314.338 -0.626 20 0 DBADRM CC(C)CCC(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001428739167 1006013276 /nfs/dbraw/zinc/01/32/76/1006013276.db2.gz HYGFHXHCNKJFHB-SECBINFHSA-N -1 0 313.358 -0.254 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C[C@@]1(C)CO ZINC001594457541 1017018215 /nfs/dbraw/zinc/01/82/15/1017018215.db2.gz HSCCGCBKTDHGSG-WEIGREKKSA-N -1 0 324.377 -0.167 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC(=O)N1 ZINC001594458454 1017018248 /nfs/dbraw/zinc/01/82/48/1017018248.db2.gz HEFOEQGTJVYKLZ-ZETCQYMHSA-N -1 0 323.280 -0.191 20 0 DBADRM Cc1nc(Cn2nnc(NC(=O)COCC(=O)[O-])c2C)no1 ZINC001594458367 1017018265 /nfs/dbraw/zinc/01/82/65/1017018265.db2.gz XXVBYFFABOSYNO-UHFFFAOYSA-N -1 0 310.270 -0.634 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)Cc1cnc[nH]1 ZINC001440248534 1006027560 /nfs/dbraw/zinc/02/75/60/1006027560.db2.gz WNWKECLYJHDGOX-JTQLQIEISA-N -1 0 305.342 -0.491 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594441708 1017012762 /nfs/dbraw/zinc/01/27/62/1017012762.db2.gz ORTHQBIFBXLQKP-CABZTGNLSA-N -1 0 315.351 -0.252 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001594438918 1017013202 /nfs/dbraw/zinc/01/32/02/1017013202.db2.gz JDIQPXSGOAWGOA-OIBJUYFYSA-N -1 0 313.335 -0.417 20 0 DBADRM Cc1[nH]nc(Cl)c1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594441297 1017013212 /nfs/dbraw/zinc/01/32/12/1017013212.db2.gz DKABKXFNHFTVOK-LURJTMIESA-N -1 0 321.742 -0.305 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001594459357 1017019078 /nfs/dbraw/zinc/01/90/78/1017019078.db2.gz WHEJSNRFVVGHAA-SFYZADRCSA-N -1 0 310.310 -0.307 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](O)[C@H](C)C2)C[C@]1(C)C(=O)[O-] ZINC001594455208 1017013943 /nfs/dbraw/zinc/01/39/43/1017013943.db2.gz RMMLKUAONPEULO-RSQPEXBXSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C[C@H](C)[C@H]1O ZINC001594455922 1017015264 /nfs/dbraw/zinc/01/52/64/1017015264.db2.gz WINJSEWIVQGLEQ-DZHLUBAWSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C[C@@]1(C)CO ZINC001594455744 1017015376 /nfs/dbraw/zinc/01/53/76/1017015376.db2.gz WCVNQRJSKDKQRJ-RSQPEXBXSA-N -1 0 312.366 -0.358 20 0 DBADRM Cc1nc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)nn1C ZINC001594456520 1017016015 /nfs/dbraw/zinc/01/60/15/1017016015.db2.gz GFTFTTNCTXGOBM-SECBINFHSA-N -1 0 309.326 -0.321 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC[C@@H]1O ZINC001594455512 1017016341 /nfs/dbraw/zinc/01/63/41/1017016341.db2.gz UQFBWHAAZGZMQP-YWDSYVAPSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN(C(=O)C2CCC2)C1 ZINC001428839265 1006070518 /nfs/dbraw/zinc/07/05/18/1006070518.db2.gz DDOXSZUYKVPGTE-VIFPVBQESA-N -1 0 323.353 -0.546 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)CC(=O)[O-] ZINC001594468592 1017020381 /nfs/dbraw/zinc/02/03/81/1017020381.db2.gz MPSUFKBFMQOXDH-LURJTMIESA-N -1 0 301.324 -0.370 20 0 DBADRM C[C@@H]1CN(C(=O)COCc2ocnc2C(=O)[O-])CC(=O)N1C ZINC001594468141 1017021017 /nfs/dbraw/zinc/02/10/17/1017021017.db2.gz MQQYUMFJCFRJDX-MRVPVSSYSA-N -1 0 311.294 -0.422 20 0 DBADRM Cc1ncc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1C ZINC001594467403 1017022151 /nfs/dbraw/zinc/02/21/51/1017022151.db2.gz AZAPZACCGJJQGS-SECBINFHSA-N -1 0 301.324 -0.948 20 0 DBADRM Cc1ncc(S(=O)(=O)NCCOCCOCC(=O)[O-])n1C ZINC001594469147 1017022805 /nfs/dbraw/zinc/02/28/05/1017022805.db2.gz XLWWMTYBMCDXDK-UHFFFAOYSA-N -1 0 321.355 -0.875 20 0 DBADRM Cc1nc2ccnn2cc1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC001594465575 1017023446 /nfs/dbraw/zinc/02/34/46/1017023446.db2.gz KAMGEIJYOMCVJI-UHFFFAOYSA-N -1 0 301.266 -0.034 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)CC2(CCOCC2)O1 ZINC001594470255 1017023722 /nfs/dbraw/zinc/02/37/22/1017023722.db2.gz GZYDSJQWNUSFHL-SNVBAGLBSA-N -1 0 324.337 -0.227 20 0 DBADRM C[C@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])C[C@H](C)O1 ZINC001594473228 1017024356 /nfs/dbraw/zinc/02/43/56/1017024356.db2.gz JUAOSUBGDDOWTJ-UWVGGRQHSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)Cc2cncnc21 ZINC001594471177 1017024817 /nfs/dbraw/zinc/02/48/17/1017024817.db2.gz TWNQNXGURVYOGV-QMMMGPOBSA-N -1 0 302.294 -0.088 20 0 DBADRM Cc1nccn1CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594472023 1017026429 /nfs/dbraw/zinc/02/64/29/1017026429.db2.gz YJRGIZQZSGVBRE-NSHDSACASA-N -1 0 308.338 -0.369 20 0 DBADRM CC1(C(=O)N2CCC[C@](CO)(NCc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001440543240 1006185022 /nfs/dbraw/zinc/18/50/22/1006185022.db2.gz CJZWLRWXMVGBRR-AWEZNQCLSA-N -1 0 309.370 -0.247 20 0 DBADRM Cc1nnc(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)s1 ZINC001594491212 1017029549 /nfs/dbraw/zinc/02/95/49/1017029549.db2.gz LBQNPPWSJLQGKW-QMMMGPOBSA-N -1 0 312.351 -0.214 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN(CCO)[C@H](C)C2)O[C@H]1C(=O)[O-] ZINC001594485030 1017029792 /nfs/dbraw/zinc/02/97/92/1017029792.db2.gz GSRWWOIBVZPNML-DDHJBXDOSA-N -1 0 300.355 -0.610 20 0 DBADRM Cc1nnc(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)o1 ZINC001594491410 1017029943 /nfs/dbraw/zinc/02/99/43/1017029943.db2.gz YHDHAGUEDLSVEN-UHFFFAOYSA-N -1 0 317.323 -0.726 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)[C@H](C)CN1CCO ZINC001594489187 1017029972 /nfs/dbraw/zinc/02/99/72/1017029972.db2.gz NOYZRPPROLWZHF-NXEZZACHSA-N -1 0 310.354 -0.355 20 0 DBADRM CC(=O)N1CC[C@@H]1CN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001429045546 1006199528 /nfs/dbraw/zinc/19/95/28/1006199528.db2.gz RNCCSNWXXUZHRG-SNVBAGLBSA-N -1 0 318.337 -0.850 20 0 DBADRM C[C@H](C(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001440562988 1006201520 /nfs/dbraw/zinc/20/15/20/1006201520.db2.gz VNXKRIKULYDZRX-BONVTDFDSA-N -1 0 323.397 -0.001 20 0 DBADRM C[C@@H]1CN([C@H]2CCN(CCC(=O)[O-])C2=O)CC[S@@](=O)C1 ZINC001594504801 1017030741 /nfs/dbraw/zinc/03/07/41/1017030741.db2.gz AFTUNUWLNBBEJD-QZXWKGOOSA-N -1 0 302.396 -0.238 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1C[C@@H](C)O[C@H](CO)C1 ZINC001594499591 1017030764 /nfs/dbraw/zinc/03/07/64/1017030764.db2.gz OFQMEQOEHJDMLS-MDZLAQPJSA-N -1 0 314.382 -0.220 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1C[C@@H](C)O[C@@H](CO)C1 ZINC001594499596 1017031681 /nfs/dbraw/zinc/03/16/81/1017031681.db2.gz OFQMEQOEHJDMLS-NTZNESFSSA-N -1 0 314.382 -0.220 20 0 DBADRM C[C@H]1OCC[C@@]12CN(CC(=O)NCCC(=O)[O-])C[C@@H](C)O2 ZINC001594506474 1017032106 /nfs/dbraw/zinc/03/21/06/1017032106.db2.gz IUMRSCVCKPMHBC-JTNHKYCSSA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)NC/C=C/Cl ZINC001594514233 1017037858 /nfs/dbraw/zinc/03/78/58/1017037858.db2.gz VFTXTLHQENCRIQ-YWNRKNDBSA-N -1 0 317.773 -0.138 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)CCCC(N)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001440652863 1006250183 /nfs/dbraw/zinc/25/01/83/1006250183.db2.gz MLYNXSMOUSOGOE-ZJUUUORDSA-N -1 0 324.385 -0.365 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)NC/C=C/Cl ZINC001594514232 1017036164 /nfs/dbraw/zinc/03/61/64/1017036164.db2.gz VFTXTLHQENCRIQ-XCRNYIDWSA-N -1 0 317.773 -0.138 20 0 DBADRM C[C@@H]1CN(CCO)CCN1C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001594530741 1017041105 /nfs/dbraw/zinc/04/11/05/1017041105.db2.gz CIQXJFDFLPMOMB-FRRDWIJNSA-N -1 0 314.382 -0.076 20 0 DBADRM C[C@H]1CN(Cc2cnon2)[C@H](C(=O)[O-])CN1Cc1cnon1 ZINC001594548069 1017041256 /nfs/dbraw/zinc/04/12/56/1017041256.db2.gz QFEPGXRKTUEAEB-KWQFWETISA-N -1 0 308.298 -0.388 20 0 DBADRM Cn1cc(/C=C/C(=O)Nc2n[nH]cc2C(=O)[O-])c(=O)n(C)c1=O ZINC001594537556 1017042182 /nfs/dbraw/zinc/04/21/82/1017042182.db2.gz KQCQIPDYKISNGB-ONEGZZNKSA-N -1 0 319.277 -0.843 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1coc(C(N)=O)c1 ZINC001594522643 1017042790 /nfs/dbraw/zinc/04/27/90/1017042790.db2.gz TVUUZSUPJZHHFM-SECBINFHSA-N -1 0 309.322 -0.001 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)N1CCOCC1 ZINC001594526036 1017042906 /nfs/dbraw/zinc/04/29/06/1017042906.db2.gz QIVNTCWVEIMOME-NSHDSACASA-N -1 0 321.399 -0.956 20 0 DBADRM C[C@@H]1CN(CCNC(=O)Cn2cc(C(=O)[O-])cn2)[C@@H](C)CO1 ZINC001594527956 1017043313 /nfs/dbraw/zinc/04/33/13/1017043313.db2.gz QFFPPMADUFFUJQ-WDEREUQCSA-N -1 0 310.354 -0.193 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)CC(=O)N2CCC2)c1[O-] ZINC001440910611 1006355533 /nfs/dbraw/zinc/35/55/33/1006355533.db2.gz FTOWIJKSTUFVLT-VIFPVBQESA-N -1 0 309.370 -0.294 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CC1(F)F)N(C)Cc1nc(=O)n(C)[nH]1 ZINC001440914267 1006358388 /nfs/dbraw/zinc/35/83/88/1006358388.db2.gz OQQNOPRDVAVFBX-JGVFFNPUSA-N -1 0 303.313 -0.300 20 0 DBADRM C[C@@H](CNC(=O)CCc1cn[nH]n1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440971631 1006394980 /nfs/dbraw/zinc/39/49/80/1006394980.db2.gz GFZGGPHDXPARAW-QMMMGPOBSA-N -1 0 308.346 -0.802 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C[C@]1(C)CO ZINC001594553626 1017047783 /nfs/dbraw/zinc/04/77/83/1017047783.db2.gz DQXDYBIEGLWMPD-WRWORJQWSA-N -1 0 303.340 -0.253 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594597538 1017049083 /nfs/dbraw/zinc/04/90/83/1017049083.db2.gz DXTRBQBFQFUINT-ZJUUUORDSA-N -1 0 309.322 -0.200 20 0 DBADRM C[C@@H]1COCC[C@@H]1Cn1nnnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001594604863 1017049113 /nfs/dbraw/zinc/04/91/13/1017049113.db2.gz SNCVWXMIIDXPMG-GMTAPVOTSA-N -1 0 311.342 -0.365 20 0 DBADRM C[C@@H]1COCC[C@@H]1S(=O)(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001594604502 1017049646 /nfs/dbraw/zinc/04/96/46/1017049646.db2.gz QHPWKLJJUIQWGB-RCWTZXSCSA-N -1 0 307.368 -0.085 20 0 DBADRM C[C@@H]1CO[C@@H](C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001594587023 1017049773 /nfs/dbraw/zinc/04/97/73/1017049773.db2.gz MXQSAIXWEFJZBO-YWPYICTPSA-N -1 0 312.366 -0.201 20 0 DBADRM C[C@H]1COCCCN1C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001594603214 1017049909 /nfs/dbraw/zinc/04/99/09/1017049909.db2.gz HYAVTOFFOHOIJK-DDIVZENXSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@H]1OCC[C@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001594641737 1017056728 /nfs/dbraw/zinc/05/67/28/1017056728.db2.gz AQQZWWGKNNENDR-KZFFXBSXSA-N -1 0 305.352 -0.585 20 0 DBADRM CNC(=O)CNC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O ZINC001441027807 1006432486 /nfs/dbraw/zinc/43/24/86/1006432486.db2.gz IOKSUOUCEOELBC-UHFFFAOYSA-N -1 0 316.321 -0.648 20 0 DBADRM C[C@@H]1OCC[C@@H]1C(=O)N(C)CCNc1ccnc(C(=O)[O-])n1 ZINC001594643149 1017054869 /nfs/dbraw/zinc/05/48/69/1017054869.db2.gz RJFTZOSXYLVQNI-UWVGGRQHSA-N -1 0 308.338 -0.108 20 0 DBADRM C[C@@H]1OCC[C@H]1N(CCO)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001594646545 1017055025 /nfs/dbraw/zinc/05/50/25/1017055025.db2.gz YKZIOKRUGNZTQM-WCQYABFASA-N -1 0 314.382 -0.219 20 0 DBADRM C[C@@H]1OCC[C@@H]1C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001594643381 1017055541 /nfs/dbraw/zinc/05/55/41/1017055541.db2.gz UGHXJYLNMDRJQH-UWVGGRQHSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H]1OCC[C@]12CN(CCc1cn(CC(=O)[O-])nn1)CCO2 ZINC001594641970 1017056394 /nfs/dbraw/zinc/05/63/94/1017056394.db2.gz FMXGYSISZUPADY-FZMZJTMJSA-N -1 0 310.354 -0.215 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001594649638 1017056560 /nfs/dbraw/zinc/05/65/60/1017056560.db2.gz YMFKPGFMSLTZTG-LSJOCFKGSA-N -1 0 307.368 -0.349 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCOC[C@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001594602497 1017050532 /nfs/dbraw/zinc/05/05/32/1017050532.db2.gz DPEADQNLTNAOPJ-YTWAJWBKSA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@@H]1COCC[C@H]1S(=O)(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001594604503 1017051142 /nfs/dbraw/zinc/05/11/42/1017051142.db2.gz QHPWKLJJUIQWGB-VPOLOUISSA-N -1 0 307.368 -0.085 20 0 DBADRM C[C@@H]1COCC[C@H]1Cn1nnnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001594604866 1017051166 /nfs/dbraw/zinc/05/11/66/1017051166.db2.gz SNCVWXMIIDXPMG-VWYCJHECSA-N -1 0 311.342 -0.365 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001594610126 1017052190 /nfs/dbraw/zinc/05/21/90/1017052190.db2.gz MKQHHFFJWHDIQH-MRVPVSSYSA-N -1 0 316.339 -0.988 20 0 DBADRM C[C@@H]1Cc2cc(S(=O)(=O)N3CC(O)(C(=O)[O-])C3)ccc2O1 ZINC001594618957 1017052221 /nfs/dbraw/zinc/05/22/21/1017052221.db2.gz PGMAXWGLWZDRAO-MRVPVSSYSA-N -1 0 313.331 -0.170 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001594626162 1017052375 /nfs/dbraw/zinc/05/23/75/1017052375.db2.gz MCRISZBWRPPUQV-FBDQPXRJSA-N -1 0 313.354 -0.217 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001594629388 1017053149 /nfs/dbraw/zinc/05/31/49/1017053149.db2.gz HITGEGMVBCTHRH-LYFYHCNISA-N -1 0 316.339 -0.606 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C(=O)[O-])n1C ZINC001594609889 1017053384 /nfs/dbraw/zinc/05/33/84/1017053384.db2.gz LTSIVRHJICVDMX-QMMMGPOBSA-N -1 0 300.336 -0.018 20 0 DBADRM CCC(=O)N1CC[C@@H](N2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)C1 ZINC001594700520 1017057728 /nfs/dbraw/zinc/05/77/28/1017057728.db2.gz WRUNAXPKYCGYLU-TURQNECASA-N -1 0 309.322 -0.362 20 0 DBADRM C[C@H]1Oc2ccccc2N(CCC(=O)N[C@H](CO)C(=O)[O-])C1=O ZINC001594655500 1017057976 /nfs/dbraw/zinc/05/79/76/1017057976.db2.gz SLSZNXIIZMHQGK-NXEZZACHSA-N -1 0 322.317 -0.248 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001594699741 1017058262 /nfs/dbraw/zinc/05/82/62/1017058262.db2.gz GBVJRVSGCXRSPS-VWYCJHECSA-N -1 0 313.354 -0.119 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001594696778 1017058274 /nfs/dbraw/zinc/05/82/74/1017058274.db2.gz ZVFJCDHCNZWKSX-DGCLKSJQSA-N -1 0 312.366 -0.071 20 0 DBADRM CC[C@@H](F)C(=O)N(CC)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429656601 1006512143 /nfs/dbraw/zinc/51/21/43/1006512143.db2.gz YEYZQBZEBMHISB-SSDOTTSWSA-N -1 0 315.305 -0.391 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)CC(C)C ZINC001429659985 1006515647 /nfs/dbraw/zinc/51/56/47/1006515647.db2.gz HAPNMAYSITZOBG-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM CCC(=O)N1CC[C@H](N2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)C1 ZINC001594700522 1017058828 /nfs/dbraw/zinc/05/88/28/1017058828.db2.gz WRUNAXPKYCGYLU-YSSBGUOXSA-N -1 0 309.322 -0.362 20 0 DBADRM CCC(=O)N1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1 ZINC001594700657 1017059860 /nfs/dbraw/zinc/05/98/60/1017059860.db2.gz KPXUKYWHBOEHGV-JTQLQIEISA-N -1 0 311.338 -0.652 20 0 DBADRM CCC(=O)NCC(=O)N(C)[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001594707109 1017059903 /nfs/dbraw/zinc/05/99/03/1017059903.db2.gz CBJUUZAXBSQHMO-SECBINFHSA-N -1 0 323.353 -0.618 20 0 DBADRM CCC(=O)NCC(=O)N(C)[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001594707110 1017059997 /nfs/dbraw/zinc/05/99/97/1017059997.db2.gz CBJUUZAXBSQHMO-VIFPVBQESA-N -1 0 323.353 -0.618 20 0 DBADRM CCC(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001594712194 1017060264 /nfs/dbraw/zinc/06/02/64/1017060264.db2.gz AODZGHGLCQRWGI-DTWKUNHWSA-N -1 0 322.321 -0.455 20 0 DBADRM CC[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C(=O)OC ZINC001594733544 1017062409 /nfs/dbraw/zinc/06/24/09/1017062409.db2.gz CISQWLAEPIOZMU-ZJUUUORDSA-N -1 0 316.354 -0.083 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC ZINC001594749171 1017062478 /nfs/dbraw/zinc/06/24/78/1017062478.db2.gz PJBARJRLYJKSCH-ZJUUUORDSA-N -1 0 316.354 -0.083 20 0 DBADRM CC[C@@H](C(=O)N[C@H](CC1OCCO1)C(=O)[O-])N1CCCC1=O ZINC001594730017 1017062851 /nfs/dbraw/zinc/06/28/51/1017062851.db2.gz XYTLSDAFGHREMV-ZJUUUORDSA-N -1 0 314.338 -0.280 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N(C)Cc1nnc2c(=O)n(C)ccn12 ZINC001594741873 1017062945 /nfs/dbraw/zinc/06/29/45/1017062945.db2.gz XDNONZDTDSFIER-QMMMGPOBSA-N -1 0 307.310 -0.503 20 0 DBADRM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001594867487 1017067630 /nfs/dbraw/zinc/06/76/30/1017067630.db2.gz RASQHHUGZVTAPU-DTWKUNHWSA-N -1 0 316.379 -0.408 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)Cn1cc(C(=O)NC)ccc1=O)C(=O)[O-] ZINC001594910075 1017069785 /nfs/dbraw/zinc/06/97/85/1017069785.db2.gz YRJHNNOOMNNSKX-RNCFNFMXSA-N -1 0 323.349 -0.177 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cccnc1-n1cccn1 ZINC001441300741 1006571468 /nfs/dbraw/zinc/57/14/68/1006571468.db2.gz VTIQWNSZOLANIB-UHFFFAOYSA-N -1 0 301.266 -0.091 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)C1(C(N)=O)CCC1)C(=O)[O-] ZINC001594898125 1017068989 /nfs/dbraw/zinc/06/89/89/1017068989.db2.gz UKZXIAMSVWDWPJ-SCZZXKLOSA-N -1 0 314.338 -0.199 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)C1(CO)COC1)C(=O)[O-] ZINC001594897407 1017069313 /nfs/dbraw/zinc/06/93/13/1017069313.db2.gz ONVOHPOMZOBUAD-SCZZXKLOSA-N -1 0 303.311 -0.846 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1C[C@H]2[C@H](C(=O)OC)[C@H]2C1)C(=O)[O-] ZINC001594894726 1017069406 /nfs/dbraw/zinc/06/94/06/1017069406.db2.gz YEDVARAZBQEGER-SFBVEUQXSA-N -1 0 312.366 -0.047 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)OCc1nc(CS(C)(=O)=O)no1 ZINC001594763877 1017063701 /nfs/dbraw/zinc/06/37/01/1017063701.db2.gz HAEONFSFGUYPFP-ZCFIWIBFSA-N -1 0 306.296 -0.232 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)CS(C)(=O)=O)C(=O)[O-] ZINC001594895039 1017069905 /nfs/dbraw/zinc/06/99/05/1017069905.db2.gz ALPYCBBTPFKCHR-GMSGAONNSA-N -1 0 309.340 -0.810 20 0 DBADRM CC[C@](C)(CC(=O)[O-])NC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC001594821220 1017065286 /nfs/dbraw/zinc/06/52/86/1017065286.db2.gz RGQAOEQFDFNIOM-LLVKDONJSA-N -1 0 318.355 -0.710 20 0 DBADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cn(CC(N)=O)nn1 ZINC001594785927 1017065356 /nfs/dbraw/zinc/06/53/56/1017065356.db2.gz OOTASPYIBCBCKB-AWEZNQCLSA-N -1 0 323.353 -0.131 20 0 DBADRM CC[C@](C)(C(=O)[O-])[N@@H+](CC(=O)N1CCNC(=O)C1)CC1CC1 ZINC001594777947 1017065431 /nfs/dbraw/zinc/06/54/31/1017065431.db2.gz GPMZJGBLWDLUAX-OAHLLOKOSA-N -1 0 311.382 -0.090 20 0 DBADRM CC[C@](C)(CCO)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001594830792 1017066471 /nfs/dbraw/zinc/06/64/71/1017066471.db2.gz SORZWQPZYJDRNG-QMTHXVAHSA-N -1 0 300.355 -0.023 20 0 DBADRM CC(C)C(=O)NC1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001430153725 1006718664 /nfs/dbraw/zinc/71/86/64/1006718664.db2.gz CTKFETUIBUKOPI-UHFFFAOYSA-N -1 0 311.342 -0.548 20 0 DBADRM CC[C@@H](C)C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001430328966 1006817159 /nfs/dbraw/zinc/81/71/59/1006817159.db2.gz BPYDUQAUONTSPI-SSDOTTSWSA-N -1 0 309.326 -0.483 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1CCC1(F)F ZINC001441706022 1006823293 /nfs/dbraw/zinc/82/32/93/1006823293.db2.gz NSQLLWDPHOWTBJ-BQBZGAKWSA-N -1 0 305.285 -0.878 20 0 DBADRM CN(C(=O)c1cn(C)c(=O)[nH]c1=O)c1nc(CC(=O)[O-])cs1 ZINC001598096540 1017233724 /nfs/dbraw/zinc/23/37/24/1017233724.db2.gz UTVMTVLTVBADDK-UHFFFAOYSA-N -1 0 324.318 -0.154 20 0 DBADRM CN(C(=O)c1cnn(C)c1N)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598098543 1017233935 /nfs/dbraw/zinc/23/39/35/1017233935.db2.gz PKVZPQZNCKPGOA-BDAKNGLRSA-N -1 0 321.337 -0.994 20 0 DBADRM CN(C(=O)c1cncnc1)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598098549 1017233945 /nfs/dbraw/zinc/23/39/45/1017233945.db2.gz PLSFGLUCHRFFJW-MNOVXSKESA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC001598129926 1017235858 /nfs/dbraw/zinc/23/58/58/1017235858.db2.gz HHGSVQSDWSVKCS-UHFFFAOYSA-N -1 0 308.338 -0.441 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001598130175 1017235955 /nfs/dbraw/zinc/23/59/55/1017235955.db2.gz SGAHBIVAWDHMEA-UHFFFAOYSA-N -1 0 309.322 -0.176 20 0 DBADRM CN(C)C(=O)CCn1nnnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001598125947 1017236267 /nfs/dbraw/zinc/23/62/67/1017236267.db2.gz BZRAHIOOLPZEPO-WDEREUQCSA-N -1 0 322.369 -0.302 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001598127819 1017236541 /nfs/dbraw/zinc/23/65/41/1017236541.db2.gz VFUXDHWLJDURIW-JTQLQIEISA-N -1 0 318.349 -0.739 20 0 DBADRM CN(C)C(=O)CN1CCN(Cc2ccc(C(=O)[O-])n2C)CC1 ZINC001598129901 1017237092 /nfs/dbraw/zinc/23/70/92/1017237092.db2.gz FVDXDXZRXHTUBJ-UHFFFAOYSA-N -1 0 308.382 -0.071 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001598129871 1017237124 /nfs/dbraw/zinc/23/71/24/1017237124.db2.gz CNLMDKWETLURRI-UHFFFAOYSA-N -1 0 320.349 -0.374 20 0 DBADRM CN(C)C(=O)CCCC(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001598124757 1017237182 /nfs/dbraw/zinc/23/71/82/1017237182.db2.gz OODZANFEAADDDP-SNVBAGLBSA-N -1 0 316.354 -0.033 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC001598127858 1017237459 /nfs/dbraw/zinc/23/74/59/1017237459.db2.gz YOANBUMDFFRBCO-UHFFFAOYSA-N -1 0 322.365 -0.005 20 0 DBADRM CN(C)C(=O)NCCN(C)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598140489 1017238268 /nfs/dbraw/zinc/23/82/68/1017238268.db2.gz UKTIPHCXDFCBFP-DTORHVGOSA-N -1 0 307.372 -0.618 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)nn1 ZINC001598134604 1017238600 /nfs/dbraw/zinc/23/86/00/1017238600.db2.gz UIQNTYVZIJMLTI-CQSZACIVSA-N -1 0 323.353 -0.307 20 0 DBADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001598139491 1017238815 /nfs/dbraw/zinc/23/88/15/1017238815.db2.gz PQPBKUSDSRTQPB-NSHDSACASA-N -1 0 323.353 -0.157 20 0 DBADRM CN(C)C(=O)Cn1nnnc1N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001598135396 1017238899 /nfs/dbraw/zinc/23/88/99/1017238899.db2.gz RBHIVVACGBYUQY-QMTHXVAHSA-N -1 0 322.369 -0.158 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001598139151 1017239018 /nfs/dbraw/zinc/23/90/18/1017239018.db2.gz HERAPUANZZNVGQ-MXWKQRLJSA-N -1 0 313.354 -0.119 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)Nc2c[nH]nc2C(=O)[O-])nn1 ZINC001598134184 1017239435 /nfs/dbraw/zinc/23/94/35/1017239435.db2.gz MJSQAXKUAXXIBZ-UHFFFAOYSA-N -1 0 307.270 -0.960 20 0 DBADRM CN(C)C(=O)Cn1nnnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001598135576 1017239648 /nfs/dbraw/zinc/23/96/48/1017239648.db2.gz VHOONYGQCCDZKG-SNVBAGLBSA-N -1 0 310.358 -0.158 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(CC(=O)NCCC(=O)[O-])C1 ZINC001598138843 1017239698 /nfs/dbraw/zinc/23/96/98/1017239698.db2.gz MFTWIMKNIHGFSI-SNVBAGLBSA-N -1 0 300.359 -0.735 20 0 DBADRM CN(C)C(=O)OCCN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001598144032 1017239814 /nfs/dbraw/zinc/23/98/14/1017239814.db2.gz FMVOHXZMVRDNIT-LBPRGKRZSA-N -1 0 301.299 -0.140 20 0 DBADRM CN(C)C(=O)Cn1nnnc1N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001598135093 1017239887 /nfs/dbraw/zinc/23/98/87/1017239887.db2.gz MDAFLXDZQVCRON-RNCFNFMXSA-N -1 0 308.342 -0.405 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)Cn2cc(C(=O)[O-])cn2)n1 ZINC001598135511 1017240128 /nfs/dbraw/zinc/24/01/28/1017240128.db2.gz RTPQZDWGFFHNBW-UHFFFAOYSA-N -1 0 320.309 -0.495 20 0 DBADRM CN(C)[C@H](C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1)c1cncn1C ZINC001598163643 1017240696 /nfs/dbraw/zinc/24/06/96/1017240696.db2.gz WHVPEUKYVNSHNC-MDZLAQPJSA-N -1 0 324.381 -0.124 20 0 DBADRM CN(C)[C@@]1(C(=O)NC[C@@H](O)CC(=O)[O-])COc2ccccc2C1 ZINC001598175381 1017242507 /nfs/dbraw/zinc/24/25/07/1017242507.db2.gz AFNNCCGHEXANJB-BLLLJJGKSA-N -1 0 322.361 -0.126 20 0 DBADRM CN(C)C(=O)c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC001598157690 1017241318 /nfs/dbraw/zinc/24/13/18/1017241318.db2.gz VFTUNXJHXGHDNL-JTQLQIEISA-N -1 0 316.335 -0.888 20 0 DBADRM CN(C)C1(CS(=O)(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)CC1 ZINC001598184559 1017241353 /nfs/dbraw/zinc/24/13/53/1017241353.db2.gz XRSQSOWWSJGERG-GHMZBOCLSA-N -1 0 320.411 -0.263 20 0 DBADRM CN(C)C(=O)c1c[nH]nc1NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001598162251 1017241448 /nfs/dbraw/zinc/24/14/48/1017241448.db2.gz CNVLNUZOHBZSPZ-UHFFFAOYSA-N -1 0 306.282 -0.355 20 0 DBADRM CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccco1 ZINC001598169583 1017241542 /nfs/dbraw/zinc/24/15/42/1017241542.db2.gz GLRZEQXOAPTJJS-MNOVXSKESA-N -1 0 323.349 -0.068 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@H]2CCC(=O)NC2)ccc1[O-] ZINC001598161005 1017242536 /nfs/dbraw/zinc/24/25/36/1017242536.db2.gz PMEGPNQSMBUQNQ-ZETCQYMHSA-N -1 0 313.335 -0.496 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001597998516 1017226528 /nfs/dbraw/zinc/22/65/28/1017226528.db2.gz OLQAAOSYUOGWRT-VHSXEESVSA-N -1 0 321.337 -0.412 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cnn(C)c2N)C1 ZINC001597998395 1017226913 /nfs/dbraw/zinc/22/69/13/1017226913.db2.gz LWJGZQOJCQCNFW-RKDXNWHRSA-N -1 0 321.337 -0.994 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)CCCC(N)=O)C1 ZINC001597998339 1017226981 /nfs/dbraw/zinc/22/69/81/1017226981.db2.gz LAYILSXGHZBGAA-UWVGGRQHSA-N -1 0 311.338 -0.968 20 0 DBADRM C[C@@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)C(F)F ZINC001430646498 1006954089 /nfs/dbraw/zinc/95/40/89/1006954089.db2.gz KCZNRZILYCBFSX-YFKPBYRVSA-N -1 0 319.268 -0.899 20 0 DBADRM CN(C(=O)Cn1cc(CN2CCC[C@H]2C(=O)[O-])nn1)C1CC1 ZINC001598041337 1017227971 /nfs/dbraw/zinc/22/79/71/1017227971.db2.gz NHUKTVYEHNXJCH-LBPRGKRZSA-N -1 0 307.354 -0.052 20 0 DBADRM C[C@@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)CC1CC1 ZINC001430647153 1006956681 /nfs/dbraw/zinc/95/66/81/1006956681.db2.gz OZPKDMNXGQEMAH-QMMMGPOBSA-N -1 0 323.353 -0.364 20 0 DBADRM CN(C(=O)Cc1ccon1)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001598040237 1017228285 /nfs/dbraw/zinc/22/82/85/1017228285.db2.gz JQGUMEOQMJEFMU-GHMZBOCLSA-N -1 0 307.306 -0.393 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2ccnnc2)C1 ZINC001597998748 1017228374 /nfs/dbraw/zinc/22/83/74/1017228374.db2.gz UBWSYDWXFFDJAY-MNOVXSKESA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)CN1CC[C@](O)(C(N)=O)C1)c1ccccc1C(=O)[O-] ZINC001598023974 1017229954 /nfs/dbraw/zinc/22/99/54/1017229954.db2.gz SVNWPSWTNYNYRN-OAHLLOKOSA-N -1 0 321.333 -0.730 20 0 DBADRM CN(C(=O)Cn1ncn2nccc2c1=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598041866 1017231667 /nfs/dbraw/zinc/23/16/67/1017231667.db2.gz CXVBHMHKWITYGP-DTORHVGOSA-N -1 0 305.294 -0.787 20 0 DBADRM CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccc(OCC(=O)[O-])cc1 ZINC001598066389 1017232243 /nfs/dbraw/zinc/23/22/43/1017232243.db2.gz DWSNACTYULBXCU-JTQLQIEISA-N -1 0 321.289 -0.289 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)c1ccsc1 ZINC001430687561 1006995314 /nfs/dbraw/zinc/99/53/14/1006995314.db2.gz MDTOUYUJQUQNMI-ZCFIWIBFSA-N -1 0 323.334 -0.107 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)[C@H]1CC1(C)C ZINC001431013400 1007137856 /nfs/dbraw/zinc/13/78/56/1007137856.db2.gz LCUJMTBHKQGXNC-JGVFFNPUSA-N -1 0 323.353 -0.189 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)c1ccon1 ZINC001442053169 1007152145 /nfs/dbraw/zinc/15/21/45/1007152145.db2.gz UURAYFPDPRLQBQ-MRVPVSSYSA-N -1 0 310.314 -0.937 20 0 DBADRM CC(=O)N[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)CC(C)C ZINC001431075287 1007176162 /nfs/dbraw/zinc/17/61/62/1007176162.db2.gz CFPRKRKDHJUVFG-SNVBAGLBSA-N -1 0 310.354 -0.234 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)Cc2c[nH]cn2)s1 ZINC001442071461 1007176784 /nfs/dbraw/zinc/17/67/84/1007176784.db2.gz QOPDHWRJMOGLNO-UHFFFAOYSA-N -1 0 302.341 -0.186 20 0 DBADRM CN(CCNC(=O)C1CC1)C(=O)c1c[n-]n2c1nccc2=O ZINC001431108379 1007186134 /nfs/dbraw/zinc/18/61/34/1007186134.db2.gz ILJJCZIARUAKDP-UHFFFAOYSA-N -1 0 303.322 -0.379 20 0 DBADRM CC[C@@H](C)CC(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431220356 1007284967 /nfs/dbraw/zinc/28/49/67/1007284967.db2.gz VCLUALUPOFNPQO-MRVPVSSYSA-N -1 0 311.342 -0.093 20 0 DBADRM COCCN(CCNC(=O)c1cccnn1)Cc1n[nH]c(=O)[n-]1 ZINC001442182268 1007295201 /nfs/dbraw/zinc/29/52/01/1007295201.db2.gz GNBFKJBKCWAOIR-UHFFFAOYSA-N -1 0 321.341 -0.821 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCCN(c2nccs2)CC1 ZINC001442296089 1007352706 /nfs/dbraw/zinc/35/27/06/1007352706.db2.gz LSFRKTAEXPSOGC-UHFFFAOYSA-N -1 0 324.366 -0.115 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CC(NC(=O)C2CCC2)C1 ZINC001442324871 1007359238 /nfs/dbraw/zinc/35/92/38/1007359238.db2.gz KZNBSKONOBUENU-UHFFFAOYSA-N -1 0 323.353 -0.500 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)CCC(F)F ZINC001431398563 1007395802 /nfs/dbraw/zinc/39/58/02/1007395802.db2.gz WNXPICFISZZWDY-UHFFFAOYSA-N -1 0 319.268 -0.484 20 0 DBADRM CC(C)[C@@H](C)C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001431410954 1007402096 /nfs/dbraw/zinc/40/20/96/1007402096.db2.gz IIPCQQBDTHMCFK-SECBINFHSA-N -1 0 313.358 -0.444 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCO[C@H]1C1CC1)Cc1n[nH]c(=O)[n-]1 ZINC001442480396 1007476082 /nfs/dbraw/zinc/47/60/82/1007476082.db2.gz LLZUTCGKEXYMDS-PWSUYJOCSA-N -1 0 309.370 -0.127 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)NC(=O)C(C)(C)C ZINC001442539799 1007538073 /nfs/dbraw/zinc/53/80/73/1007538073.db2.gz XDVSAIJWWBGATI-YUMQZZPRSA-N -1 0 313.358 -0.255 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C2CC2)c1[O-] ZINC001431517095 1007564934 /nfs/dbraw/zinc/56/49/34/1007564934.db2.gz LCWZEDQJADFDOE-OIBJUYFYSA-N -1 0 310.354 -0.323 20 0 DBADRM CCN(CCNC(=O)Cn1cc(C)cn1)Cc1n[nH]c(=O)[n-]1 ZINC001442641513 1007590463 /nfs/dbraw/zinc/59/04/63/1007590463.db2.gz SMBHCTVMCQSIDA-UHFFFAOYSA-N -1 0 307.358 -0.346 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@@H]2COCCO2)c1[O-] ZINC001431614127 1007637153 /nfs/dbraw/zinc/63/71/53/1007637153.db2.gz PQEANKRSRVHUAM-APPZFPTMSA-N -1 0 312.326 -0.926 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)Cc2ccnn2C)c1[O-] ZINC001431614167 1007638483 /nfs/dbraw/zinc/63/84/83/1007638483.db2.gz RSVMNFPPMKGHAN-MRVPVSSYSA-N -1 0 320.353 -0.366 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@H]1CC1(C)C ZINC001431628218 1007645087 /nfs/dbraw/zinc/64/50/87/1007645087.db2.gz SXDXECIJEUMHGX-PSASIEDQSA-N -1 0 322.365 -0.234 20 0 DBADRM COCC(=O)NC[C@H]1CCCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC001442759805 1007646480 /nfs/dbraw/zinc/64/64/80/1007646480.db2.gz APSAPIMFIOHSMA-GFCCVEGCSA-N -1 0 319.365 -0.250 20 0 DBADRM COCC(=O)NC[C@@H]1CCCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC001442759808 1007646691 /nfs/dbraw/zinc/64/66/91/1007646691.db2.gz APSAPIMFIOHSMA-LBPRGKRZSA-N -1 0 319.365 -0.250 20 0 DBADRM C[C@@H](CNC(=O)c1cc[nH]c1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001442798881 1007666944 /nfs/dbraw/zinc/66/69/44/1007666944.db2.gz XCVIAHNGATZBLH-QMMMGPOBSA-N -1 0 322.325 -0.706 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001431706174 1007680018 /nfs/dbraw/zinc/68/00/18/1007680018.db2.gz KHOKSZRDCHVTBH-RNFRBKRXSA-N -1 0 303.294 -0.942 20 0 DBADRM Cn1cncc1CC(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001442904186 1007708544 /nfs/dbraw/zinc/70/85/44/1007708544.db2.gz NASFRJQLBOEXMH-JTQLQIEISA-N -1 0 319.369 -0.575 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)NCCc1ccccc1C(=O)[O-] ZINC001598259350 1017248937 /nfs/dbraw/zinc/24/89/37/1017248937.db2.gz IMDRWKVXGHHAEQ-UHFFFAOYSA-N -1 0 314.363 -0.065 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN1CCSC[C@@H]1CC(=O)[O-] ZINC001598283501 1017255329 /nfs/dbraw/zinc/25/53/29/1017255329.db2.gz XAJZZMPUFMZTQC-GWNMQOMSSA-N -1 0 323.440 -0.021 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC001598259377 1017249879 /nfs/dbraw/zinc/24/98/79/1017249879.db2.gz JKZSZZPLASQKDK-QMMMGPOBSA-N -1 0 310.397 -0.704 20 0 DBADRM CN(C)Cc1cc(NC(=O)NCC(=O)NCC(=O)[O-])ccn1 ZINC001598246824 1017250174 /nfs/dbraw/zinc/25/01/74/1017250174.db2.gz BCFWNSCZLZBVEN-UHFFFAOYSA-N -1 0 309.326 -0.535 20 0 DBADRM CN(C)Cc1cc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])no1 ZINC001598246959 1017250237 /nfs/dbraw/zinc/25/02/37/1017250237.db2.gz ISJVGOAURKVCFF-LLVKDONJSA-N -1 0 307.310 -0.184 20 0 DBADRM C[NH+](C)Cc1cccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])c1 ZINC001598253552 1017250345 /nfs/dbraw/zinc/25/03/45/1017250345.db2.gz UKZMTTSXAFLGSQ-UHFFFAOYSA-N -1 0 300.336 -0.108 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)NCc1cc(C(=O)[O-])co1 ZINC001598261856 1017251397 /nfs/dbraw/zinc/25/13/97/1017251397.db2.gz MNORHJMDRSSCFP-UHFFFAOYSA-N -1 0 319.339 -0.332 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001598261782 1017251759 /nfs/dbraw/zinc/25/17/59/1017251759.db2.gz KLUPMFQEDNDKDH-SNVBAGLBSA-N -1 0 306.384 -0.115 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001598261708 1017251810 /nfs/dbraw/zinc/25/18/10/1017251810.db2.gz GVJMDQLVPAATCA-UHFFFAOYSA-N -1 0 304.328 -0.662 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)Cc1n[nH]c(=O)[n-]1 ZINC001442958773 1007730278 /nfs/dbraw/zinc/73/02/78/1007730278.db2.gz DREWRHPFSBSLAS-NXEZZACHSA-N -1 0 324.385 -0.650 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)CC(C)(C)CC(=O)[O-] ZINC001598267880 1017251893 /nfs/dbraw/zinc/25/18/93/1017251893.db2.gz ZVQIAQOVWWNNNK-UHFFFAOYSA-N -1 0 309.388 -0.610 20 0 DBADRM CCCN(CCNC(=O)c1ccc2oc(=O)nc-2[n-]1)CC(N)=O ZINC001442955358 1007731621 /nfs/dbraw/zinc/73/16/21/1007731621.db2.gz YRUSAWLFEWWKTQ-UHFFFAOYSA-N -1 0 321.337 -0.145 20 0 DBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001598265174 1017252184 /nfs/dbraw/zinc/25/21/84/1017252184.db2.gz IOOFQWSZZNZIQP-ZJUUUORDSA-N -1 0 322.383 -0.231 20 0 DBADRM CN(C)S(=O)(=O)CCN1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598262164 1017252223 /nfs/dbraw/zinc/25/22/23/1017252223.db2.gz QNRZEEDAMKNJNL-LLVKDONJSA-N -1 0 305.356 -0.817 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001442961777 1007735709 /nfs/dbraw/zinc/73/57/09/1007735709.db2.gz OUCWYPDTSYPOON-IWSPIJDZSA-N -1 0 323.353 -0.094 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])o1 ZINC001598270455 1017252550 /nfs/dbraw/zinc/25/25/50/1017252550.db2.gz CZUNMCSJQGYNFS-PSASIEDQSA-N -1 0 318.351 -0.450 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001598266895 1017252784 /nfs/dbraw/zinc/25/27/84/1017252784.db2.gz JNLQPWMKUPRTBF-UHFFFAOYSA-N -1 0 321.380 -0.542 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001598262118 1017252901 /nfs/dbraw/zinc/25/29/01/1017252901.db2.gz NOAPXLAXNPWQFW-RGOKHQFPSA-N -1 0 304.368 -0.507 20 0 DBADRM CCC1(C(=O)NC[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001431874459 1007745154 /nfs/dbraw/zinc/74/51/54/1007745154.db2.gz QKNLZRXOACLWGJ-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)CC(=O)[O-])cc1 ZINC001598276847 1017254925 /nfs/dbraw/zinc/25/49/25/1017254925.db2.gz FZFJJHQRTQFFHK-UHFFFAOYSA-N -1 0 307.349 -0.205 20 0 DBADRM CC(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCCCC1 ZINC001443053791 1007777907 /nfs/dbraw/zinc/77/79/07/1007777907.db2.gz NEUBCGBISWDXAL-UHFFFAOYSA-N -1 0 311.342 -0.356 20 0 DBADRM CC1(CC(=O)NC[C@@H]2CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001432065515 1007804058 /nfs/dbraw/zinc/80/40/58/1007804058.db2.gz NCSSCICOBZPRGF-QMMMGPOBSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001432088619 1007809028 /nfs/dbraw/zinc/80/90/28/1007809028.db2.gz UVWRLCGSZZSQIX-YIZRAAEISA-N -1 0 309.326 -0.938 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3ccnn3C)CC2)c1[O-] ZINC001432161366 1007831823 /nfs/dbraw/zinc/83/18/23/1007831823.db2.gz DZKNVPACXBVXBX-UHFFFAOYSA-N -1 0 318.337 -0.150 20 0 DBADRM CCCC(=O)NC1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001432174864 1007836260 /nfs/dbraw/zinc/83/62/60/1007836260.db2.gz MJUXGHUCFQMEEM-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM Cc1nccc(C(=O)NCC2(NC(=O)c3cn[nH]n3)CC2)n1 ZINC001432183238 1007839288 /nfs/dbraw/zinc/83/92/88/1007839288.db2.gz CTCJHXWAQGGZJH-UHFFFAOYSA-N -1 0 301.310 -0.404 20 0 DBADRM C[C@@H](C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1)C1CC1 ZINC001432249955 1007866793 /nfs/dbraw/zinc/86/67/93/1007866793.db2.gz IGRGYRSVNKEDRX-SSDOTTSWSA-N -1 0 321.337 -0.293 20 0 DBADRM CC(C)CCC(=O)NCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001443529088 1007871364 /nfs/dbraw/zinc/87/13/64/1007871364.db2.gz HPUNVTSPLYZRNB-UHFFFAOYSA-N -1 0 324.385 -0.637 20 0 DBADRM C[C@@H](CC(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC001432271622 1007876864 /nfs/dbraw/zinc/87/68/64/1007876864.db2.gz PGJPBRKJRYOVRD-ZETCQYMHSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N(C)[C@@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001443620043 1007888785 /nfs/dbraw/zinc/88/87/85/1007888785.db2.gz NMQXYQCNIPWXEK-NSHDSACASA-N -1 0 323.353 -0.412 20 0 DBADRM CC[C@@H](C)C[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001594939933 1017071943 /nfs/dbraw/zinc/07/19/43/1017071943.db2.gz VYXMBGIGSTYPJE-SCZZXKLOSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)C1CCC(O)CC1 ZINC001594959820 1017072252 /nfs/dbraw/zinc/07/22/52/1017072252.db2.gz GYVKAGWKGCMLOZ-RTBKNWGFSA-N -1 0 305.352 -0.752 20 0 DBADRM CC[C@@H](C)[C@@H](O)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001594919818 1017072421 /nfs/dbraw/zinc/07/24/21/1017072421.db2.gz DQUHWOXDGNZOLI-ZJUUUORDSA-N -1 0 303.359 -0.326 20 0 DBADRM CC[C@@H](C)N(CC(=O)OC)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001594982620 1017072708 /nfs/dbraw/zinc/07/27/08/1017072708.db2.gz MAPAUCLHYXLKJQ-SECBINFHSA-N -1 0 310.372 -0.089 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001594959836 1017072817 /nfs/dbraw/zinc/07/28/17/1017072817.db2.gz HFNFMTIWFDKGKP-MXWKQRLJSA-N -1 0 317.363 -0.488 20 0 DBADRM CC[C@H](C)[C@@H](O)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001594919815 1017072893 /nfs/dbraw/zinc/07/28/93/1017072893.db2.gz DQUHWOXDGNZOLI-UWVGGRQHSA-N -1 0 303.359 -0.326 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC001594974678 1017073004 /nfs/dbraw/zinc/07/30/04/1017073004.db2.gz KXCKUOPJYHNCPV-WDEREUQCSA-N -1 0 320.411 -0.183 20 0 DBADRM CC[C@H]1C(=O)NCCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001443717337 1007910073 /nfs/dbraw/zinc/91/00/73/1007910073.db2.gz IHJYFADWUQYRRE-NSHDSACASA-N -1 0 315.337 -0.575 20 0 DBADRM CC[C@@H](C)NC(=O)CN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001594989603 1017074081 /nfs/dbraw/zinc/07/40/81/1017074081.db2.gz OULXCOUGGFVBCE-DOMZBBRYSA-N -1 0 313.398 -0.238 20 0 DBADRM CCC(CC)(CNC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)[O-] ZINC001595065903 1017074373 /nfs/dbraw/zinc/07/43/73/1017074373.db2.gz YQSGEJXPBDBNQG-UHFFFAOYSA-N -1 0 323.415 -0.268 20 0 DBADRM CCC(CC)N1C[C@@H](C(=O)N[C@@](C)(CO)C(=O)[O-])CC1=O ZINC001595115292 1017074959 /nfs/dbraw/zinc/07/49/59/1017074959.db2.gz BADBCDKCMXTEFT-XPTSAGLGSA-N -1 0 300.355 -0.025 20 0 DBADRM CC[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC001595147163 1017075896 /nfs/dbraw/zinc/07/58/96/1017075896.db2.gz NIIFBBDBQDQRMJ-VHSXEESVSA-N -1 0 301.343 -0.245 20 0 DBADRM CC[C@H](CNC(=O)C1(S(C)(=O)=O)CCOCC1)C(=O)[O-] ZINC001595138234 1017076193 /nfs/dbraw/zinc/07/61/93/1017076193.db2.gz DRCYDNWSLJBRNG-SECBINFHSA-N -1 0 307.368 -0.193 20 0 DBADRM CC[C@@H](CN1CCOCC1)NS(=O)(=O)CCCC(=O)[O-] ZINC001595130762 1017076345 /nfs/dbraw/zinc/07/63/45/1017076345.db2.gz DCMSWYXZBTYCNG-NSHDSACASA-N -1 0 308.400 -0.119 20 0 DBADRM CC[C@H](CNC(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)[O-] ZINC001595145545 1017076839 /nfs/dbraw/zinc/07/68/39/1017076839.db2.gz MOKKIJHAVHTZSI-SNVBAGLBSA-N -1 0 310.354 -0.002 20 0 DBADRM CN(C(=O)CCc1n[nH]c(=O)[n-]c1=O)[C@@H]1CCN(CCF)C1 ZINC001443812785 1007937246 /nfs/dbraw/zinc/93/72/46/1007937246.db2.gz PDLLXZVCIRKSOF-SECBINFHSA-N -1 0 313.333 -0.282 20 0 DBADRM CC[C@@](COC)(NC(=O)Cn1ccc(C(=O)[O-])n1)C(=O)OC ZINC001595189966 1017077548 /nfs/dbraw/zinc/07/75/48/1017077548.db2.gz ZNRKXURQOLKHCH-ZDUSSCGKSA-N -1 0 313.310 -0.334 20 0 DBADRM CC[C@H](C)C(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001432466545 1007945062 /nfs/dbraw/zinc/94/50/62/1007945062.db2.gz OOPURSZWJDVKMV-QMMMGPOBSA-N -1 0 311.342 -0.690 20 0 DBADRM CC[C@@](COC)(NC(=O)Cn1c(C)cc(C)nc1=O)C(=O)[O-] ZINC001595189479 1017078037 /nfs/dbraw/zinc/07/80/37/1017078037.db2.gz NQLXKWVMHNNIRX-AWEZNQCLSA-N -1 0 311.338 -0.144 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)c1cc(C(=O)[O-])on1 ZINC001595172486 1017078195 /nfs/dbraw/zinc/07/81/95/1017078195.db2.gz GDKLDKBSXXRRGZ-LURJTMIESA-N -1 0 305.312 -0.570 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001595172571 1017078483 /nfs/dbraw/zinc/07/84/83/1017078483.db2.gz IDBSILZOWZFBNA-ZETCQYMHSA-N -1 0 316.339 -0.768 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001595187469 1017079337 /nfs/dbraw/zinc/07/93/37/1017079337.db2.gz MNZYUDQNBBAXOV-SKDRFNHKSA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1CC12CC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001444040827 1007991799 /nfs/dbraw/zinc/99/17/99/1007991799.db2.gz CDNHFQBEXXFPSQ-JGVFFNPUSA-N -1 0 321.337 -0.340 20 0 DBADRM CCC(=O)N1CC[C@](C)(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001432681134 1007993358 /nfs/dbraw/zinc/99/33/58/1007993358.db2.gz AZQXJDUQWQFYLW-OAHLLOKOSA-N -1 0 322.365 -0.136 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001432760616 1008005036 /nfs/dbraw/zinc/00/50/36/1008005036.db2.gz OICUJLKMYVVWSN-KXUCPTDWSA-N -1 0 322.365 -0.234 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@](O)(CNC(=O)CC3CC3)C2)c1[O-] ZINC001432784236 1008017853 /nfs/dbraw/zinc/01/78/53/1008017853.db2.gz QFBMTGBRCWXXOM-OAHLLOKOSA-N -1 0 322.365 -0.083 20 0 DBADRM C[C@@](CNC(=O)Cn1c(=O)[n-][nH]c1=O)(NC(=O)C1CC1)C1CC1 ZINC001432850481 1008033528 /nfs/dbraw/zinc/03/35/28/1008033528.db2.gz PKBVZQDBSCPMJV-AWEZNQCLSA-N -1 0 323.353 -0.500 20 0 DBADRM CCCCC(=O)NC[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001432942510 1008043320 /nfs/dbraw/zinc/04/33/20/1008043320.db2.gz QXDQECVZGCYFBX-QMMMGPOBSA-N -1 0 311.342 -0.045 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)c2cn[nH]c2)c1[O-] ZINC001432948342 1008045915 /nfs/dbraw/zinc/04/59/15/1008045915.db2.gz SIBVNKDSOZFZKP-ZETCQYMHSA-N -1 0 306.326 -0.057 20 0 DBADRM CCC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433210577 1008093077 /nfs/dbraw/zinc/09/30/77/1008093077.db2.gz GTOMDFSNPRSOSK-SFYZADRCSA-N -1 0 309.326 -0.293 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)CC2(C)CC2)c1[O-] ZINC001444241753 1008095395 /nfs/dbraw/zinc/09/53/95/1008095395.db2.gz NMOWMLHJHXWLBB-SECBINFHSA-N -1 0 310.354 -0.179 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001444259768 1008103153 /nfs/dbraw/zinc/10/31/53/1008103153.db2.gz ABELQLVSVVKAGI-SFYZADRCSA-N -1 0 302.306 -0.621 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)CCCF)c1[O-] ZINC001444274285 1008110516 /nfs/dbraw/zinc/11/05/16/1008110516.db2.gz ZRESSLAAIJNTTG-QMMMGPOBSA-N -1 0 302.306 -0.620 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC23CC3)c1[O-] ZINC001444350880 1008141547 /nfs/dbraw/zinc/14/15/47/1008141547.db2.gz WINBDEMVIPKSFT-RKDXNWHRSA-N -1 0 308.338 -0.569 20 0 DBADRM CC(=O)N[C@H](CO)CNC(=O)c1n[n-]c2ccccc2c1=O ZINC001444355147 1008142312 /nfs/dbraw/zinc/14/23/12/1008142312.db2.gz UKZHVMLKNJGIIQ-VIFPVBQESA-N -1 0 304.306 -0.438 20 0 DBADRM CN(C(=O)CCc1nnn[n-]1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC001444662839 1008214695 /nfs/dbraw/zinc/21/46/95/1008214695.db2.gz KTIBUGUXFYOYRM-UWVGGRQHSA-N -1 0 315.399 -0.054 20 0 DBADRM CC(C)(CCS(C)(=O)=O)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001444987480 1008269091 /nfs/dbraw/zinc/26/90/91/1008269091.db2.gz QQGMHPBAIKIZSZ-UHFFFAOYSA-N -1 0 322.412 -0.068 20 0 DBADRM CCCC(=O)N(C)C1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001445006445 1008272112 /nfs/dbraw/zinc/27/21/12/1008272112.db2.gz YBFMQCMRTCGASQ-UHFFFAOYSA-N -1 0 311.342 -0.405 20 0 DBADRM CN(C/C=C/Cl)CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001445077305 1008282057 /nfs/dbraw/zinc/28/20/57/1008282057.db2.gz SNASKRYIACLXCO-ONEGZZNKSA-N -1 0 303.750 -0.168 20 0 DBADRM CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)CCc1nnn[n-]1 ZINC001445338101 1008362531 /nfs/dbraw/zinc/36/25/31/1008362531.db2.gz SSUSDLODMBLYMR-LLVKDONJSA-N -1 0 318.337 -0.182 20 0 DBADRM CC(=O)NCCC1(CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001445379321 1008368598 /nfs/dbraw/zinc/36/85/98/1008368598.db2.gz KTGFZIKAYHZDRZ-UHFFFAOYSA-N -1 0 323.353 -0.362 20 0 DBADRM Cc1cnc([C@H](C)NC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001445478191 1008378795 /nfs/dbraw/zinc/37/87/95/1008378795.db2.gz CVRFMYYDGYJONP-APPZFPTMSA-N -1 0 324.341 -0.159 20 0 DBADRM Cc1cnc([C@@H](C)NC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001445478194 1008380495 /nfs/dbraw/zinc/38/04/95/1008380495.db2.gz CVRFMYYDGYJONP-VXNVDRBHSA-N -1 0 324.341 -0.159 20 0 DBADRM CC(C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001445499298 1008384885 /nfs/dbraw/zinc/38/48/85/1008384885.db2.gz OJUFGPKTULQPIF-VXGBXAGGSA-N -1 0 309.370 -0.068 20 0 DBADRM C[C@@H](CN[C@@H](C)c1ncccn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001445643562 1008412761 /nfs/dbraw/zinc/41/27/61/1008412761.db2.gz NKIKAPIKPYXGMT-IUCAKERBSA-N -1 0 321.341 -0.665 20 0 DBADRM CN(C[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C(F)F ZINC001445735499 1008428314 /nfs/dbraw/zinc/42/83/14/1008428314.db2.gz KUMHMSYQMAAGJZ-RXMQYKEDSA-N -1 0 317.252 -0.779 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001445770695 1008433346 /nfs/dbraw/zinc/43/33/46/1008433346.db2.gz ZVLINWBIUKLMJQ-VHSXEESVSA-N -1 0 324.385 -0.637 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@H](O)COCC1CC1 ZINC001445794309 1008436195 /nfs/dbraw/zinc/43/61/95/1008436195.db2.gz FGIBSRUVANNSCW-JTQLQIEISA-N -1 0 314.342 -0.627 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@H]3C[C@@H](O)C3)cc2=O)n1 ZINC001445879193 1008443717 /nfs/dbraw/zinc/44/37/17/1008443717.db2.gz KWZAZSAPOHXTNN-AOOOYVTPSA-N -1 0 303.322 -0.174 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1Cc1ccon1 ZINC001446105306 1008473087 /nfs/dbraw/zinc/47/30/87/1008473087.db2.gz LJGLCHVBUBIISW-VIFPVBQESA-N -1 0 308.298 -0.932 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001446516598 1008525780 /nfs/dbraw/zinc/52/57/80/1008525780.db2.gz KCQRYRJDMVMQEO-MRVPVSSYSA-N -1 0 324.318 -0.666 20 0 DBADRM CC(=O)N1CCCC[C@@H]1CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001457507975 1008530813 /nfs/dbraw/zinc/53/08/13/1008530813.db2.gz XWNZNMCICQHCSZ-SECBINFHSA-N -1 0 309.326 -0.196 20 0 DBADRM CN(C1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1)S(C)(=O)=O ZINC001457570326 1008537486 /nfs/dbraw/zinc/53/74/86/1008537486.db2.gz LOJXPHYLQGNWPY-UHFFFAOYSA-N -1 0 303.344 -0.994 20 0 DBADRM COc1cc(C(=O)NC[C@H](NC(=O)c2cn[nH]n2)C(C)C)on1 ZINC001457608943 1008549567 /nfs/dbraw/zinc/54/95/67/1008549567.db2.gz YNNGUIAYVJGORI-QMMMGPOBSA-N -1 0 322.325 -0.014 20 0 DBADRM CC(C)[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CC1 ZINC001457663424 1008567937 /nfs/dbraw/zinc/56/79/37/1008567937.db2.gz VCJHMQPRSVERHW-VIFPVBQESA-N -1 0 311.342 -0.644 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O ZINC001446586150 1008591099 /nfs/dbraw/zinc/59/10/99/1008591099.db2.gz TZZGOMBBMRUXGL-UWVGGRQHSA-N -1 0 324.337 -0.324 20 0 DBADRM O=C(CCCc1nnn[n-]1)NC1CCN([C@H]2CCOC2=O)CC1 ZINC001446603964 1008604014 /nfs/dbraw/zinc/60/40/14/1008604014.db2.gz WNYAVGFLUBFOLM-NSHDSACASA-N -1 0 322.369 -0.582 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@]2(C)CCCN(CC(N)=O)C2)c1[O-] ZINC001446658752 1008640922 /nfs/dbraw/zinc/64/09/22/1008640922.db2.gz AZHWRBWNTPSIAH-CQSZACIVSA-N -1 0 309.370 -0.259 20 0 DBADRM Cn1c(C(=O)Nc2c[nH]nc2[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC001457822237 1008643226 /nfs/dbraw/zinc/64/32/26/1008643226.db2.gz KCGLBYPECLHUDW-UHFFFAOYSA-N -1 0 318.293 -0.743 20 0 DBADRM CC[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H](O)C(F)F ZINC001457862218 1008659331 /nfs/dbraw/zinc/65/93/31/1008659331.db2.gz VBKFJBXHPXBILX-APPZFPTMSA-N -1 0 315.280 -0.408 20 0 DBADRM CCC(=O)NC[C@H](O)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001457869296 1008667686 /nfs/dbraw/zinc/66/76/86/1008667686.db2.gz NFNIVKJYMLMROE-ZETCQYMHSA-N -1 0 308.294 -0.455 20 0 DBADRM COC(=O)NCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cn[nH]n1 ZINC001457884492 1008684607 /nfs/dbraw/zinc/68/46/07/1008684607.db2.gz PZTHJOPKGSEQSR-IUCAKERBSA-N -1 0 324.341 -0.825 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)c1ccco1 ZINC001458328050 1008830107 /nfs/dbraw/zinc/83/01/07/1008830107.db2.gz NCFYEWPCSLOQDK-QMMMGPOBSA-N -1 0 320.305 -0.373 20 0 DBADRM C[C@@H](C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CCCC1 ZINC001446900197 1008843175 /nfs/dbraw/zinc/84/31/75/1008843175.db2.gz KXCYAQZICGBXBA-SNVBAGLBSA-N -1 0 323.397 -0.001 20 0 DBADRM CC(=O)N(C)CC(=O)N1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001458708571 1008868085 /nfs/dbraw/zinc/86/80/85/1008868085.db2.gz QOFAIQCRCZETMR-JTQLQIEISA-N -1 0 323.353 -0.767 20 0 DBADRM CCC(=O)NCC1(NC(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001458836301 1008885007 /nfs/dbraw/zinc/88/50/07/1008885007.db2.gz PBYJCYQCTCVHHZ-UHFFFAOYSA-N -1 0 303.322 -0.189 20 0 DBADRM CCC(=O)NC[C@@H]1COCCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC001447100328 1008896877 /nfs/dbraw/zinc/89/68/77/1008896877.db2.gz NPZXEGZFIYSLCO-GFCCVEGCSA-N -1 0 319.365 -0.250 20 0 DBADRM CC(C)(F)C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001459046133 1008925804 /nfs/dbraw/zinc/92/58/04/1008925804.db2.gz VBJGXTMJQSPZGV-UHFFFAOYSA-N -1 0 315.305 -0.798 20 0 DBADRM CCC1(C(=O)N(C)C2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001459272086 1009005313 /nfs/dbraw/zinc/00/53/13/1009005313.db2.gz QWYCHVDSOVTNKS-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC001447321727 1009024056 /nfs/dbraw/zinc/02/40/56/1009024056.db2.gz YNQLLKADCKRUDG-VXGBXAGGSA-N -1 0 305.338 -0.267 20 0 DBADRM CC(=O)N1CC[C@@](C)(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001459445128 1009029144 /nfs/dbraw/zinc/02/91/44/1009029144.db2.gz NUQSXZMAORGPKK-AWEZNQCLSA-N -1 0 308.338 -0.526 20 0 DBADRM CN(CCCN(C)C(=O)CNC(=O)C1CC1)Cc1n[nH]c(=O)[n-]1 ZINC001447331492 1009035712 /nfs/dbraw/zinc/03/57/12/1009035712.db2.gz WIRWJOMKRIVGHN-UHFFFAOYSA-N -1 0 324.385 -0.683 20 0 DBADRM COC(=O)[C@](C)(NCc1cc(=O)n2nc(N)[nH]c2n1)C1CC1 ZINC001459898534 1009066486 /nfs/dbraw/zinc/06/64/86/1009066486.db2.gz YWYSHICYCFNWIT-CYBMUJFWSA-N -1 0 306.326 -0.569 20 0 DBADRM CS(C)(=O)=NC(=O)CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001460173506 1009076016 /nfs/dbraw/zinc/07/60/16/1009076016.db2.gz SMONOEXNJZIATF-MRVPVSSYSA-N -1 0 301.372 -0.056 20 0 DBADRM O=c1cc(CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)nc2cc[n-]n21 ZINC001460743575 1009108359 /nfs/dbraw/zinc/10/83/59/1009108359.db2.gz LIQPIAPXTSBKQE-GHMZBOCLSA-N -1 0 322.390 -0.111 20 0 DBADRM COC(=O)C1(CNC(=O)CCCc2nnn[n-]2)CCOCC1 ZINC001447529368 1009140101 /nfs/dbraw/zinc/14/01/01/1009140101.db2.gz WXARDAPQXIOVQX-UHFFFAOYSA-N -1 0 311.342 -0.392 20 0 DBADRM CN(C(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1nnn[n-]1 ZINC001461558982 1009144022 /nfs/dbraw/zinc/14/40/22/1009144022.db2.gz NFFZPNCJFIKNIM-UHFFFAOYSA-N -1 0 307.314 -0.583 20 0 DBADRM CN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1nnn[n-]1 ZINC001461557712 1009144242 /nfs/dbraw/zinc/14/42/42/1009144242.db2.gz DCYHYRLBZOROSV-JTQLQIEISA-N -1 0 314.305 -0.319 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCCN(C)C(=O)c1ccncc1 ZINC001463159232 1009194725 /nfs/dbraw/zinc/19/47/25/1009194725.db2.gz RYVGVPGDBKZYHA-UHFFFAOYSA-N -1 0 308.338 -0.272 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1nnnn1C1CC1 ZINC001463212393 1009201275 /nfs/dbraw/zinc/20/12/75/1009201275.db2.gz FGUJRODURQKKKP-UHFFFAOYSA-N -1 0 322.416 -0.150 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)[N-][C@](C)(COC)C(=O)OC)CC1=O ZINC001463323196 1009206042 /nfs/dbraw/zinc/20/60/42/1009206042.db2.gz DIURSZVTRRYULW-JOYOIKCWSA-N -1 0 322.383 -0.895 20 0 DBADRM CC(C)c1nccn1CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001447648410 1009208902 /nfs/dbraw/zinc/20/89/02/1009208902.db2.gz VTIMVTSVSITPGG-UHFFFAOYSA-N -1 0 316.383 -0.411 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001447642814 1009209072 /nfs/dbraw/zinc/20/90/72/1009209072.db2.gz DCPGRSDZYDLJBW-VHSXEESVSA-N -1 0 322.383 -0.990 20 0 DBADRM COc1cncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1C ZINC001447643284 1009210352 /nfs/dbraw/zinc/21/03/52/1009210352.db2.gz FODGZGHETFTGTR-UHFFFAOYSA-N -1 0 315.351 -0.406 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](C)CS(C)(=O)=O ZINC001463348139 1009211236 /nfs/dbraw/zinc/21/12/36/1009211236.db2.gz NKZXXCLOXYANOQ-QMMMGPOBSA-N -1 0 320.458 -0.238 20 0 DBADRM Cn1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1C=O ZINC001447648426 1009214413 /nfs/dbraw/zinc/21/44/13/1009214413.db2.gz VVSIURPVCOXRMY-UHFFFAOYSA-N -1 0 301.324 -0.967 20 0 DBADRM COCCO[C@H]1COCC[C@H]1NS(=O)(=O)c1ncc[n-]1 ZINC001463539397 1009227830 /nfs/dbraw/zinc/22/78/30/1009227830.db2.gz WITYNIUKRACQJL-ZJUUUORDSA-N -1 0 305.356 -0.492 20 0 DBADRM CO[C@@H](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc[nH]c1=O ZINC001447694499 1009238154 /nfs/dbraw/zinc/23/81/54/1009238154.db2.gz BRVNFKKQTMKYMG-MVVXRAEJSA-N -1 0 320.349 -0.206 20 0 DBADRM CC(=O)NC1(CO)CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC001447699936 1009242344 /nfs/dbraw/zinc/24/23/44/1009242344.db2.gz UDYHWNIHEYBYBM-UHFFFAOYSA-N -1 0 319.365 -0.514 20 0 DBADRM Cc1nc([C@@H]([N-]S(=O)(=O)c2c[nH]cn2)c2cnn(C)c2)no1 ZINC001463786328 1009245793 /nfs/dbraw/zinc/24/57/93/1009245793.db2.gz PPZXPDLMXRUWBY-JTQLQIEISA-N -1 0 323.338 -0.097 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@](C)(CO)C(=O)OC ZINC001463853999 1009253514 /nfs/dbraw/zinc/25/35/14/1009253514.db2.gz HPVWNCQNBXYMAU-VIFPVBQESA-N -1 0 316.401 -0.747 20 0 DBADRM CN(C)c1nc(N)nc(CN2CC(F)(F)C[C@@H]2C(=O)[O-])n1 ZINC001598352633 1017257482 /nfs/dbraw/zinc/25/74/82/1017257482.db2.gz NPCFKONZVLZOTI-ZCFIWIBFSA-N -1 0 302.285 -0.186 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N2C3CCC2(C(=O)[O-])CC3)n1 ZINC001598351776 1017257604 /nfs/dbraw/zinc/25/76/04/1017257604.db2.gz DKRHHZKKVXIDAI-UHFFFAOYSA-N -1 0 306.326 -0.258 20 0 DBADRM CN(C)c1cnc(C(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cn1 ZINC001598348174 1017258114 /nfs/dbraw/zinc/25/81/14/1017258114.db2.gz GESYSIDLAHWALR-BDAKNGLRSA-N -1 0 321.337 -0.891 20 0 DBADRM CN(C)c1cnc(C(=O)NCCn2cc(C(=O)[O-])nn2)cn1 ZINC001598348351 1017258138 /nfs/dbraw/zinc/25/81/38/1017258138.db2.gz MTIALBNMHVURCK-UHFFFAOYSA-N -1 0 305.298 -0.738 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)c2ccncc2C(=O)[O-])n1 ZINC001598354172 1017258599 /nfs/dbraw/zinc/25/85/99/1017258599.db2.gz GLLIWJIWWMEVOD-UHFFFAOYSA-N -1 0 318.293 -0.030 20 0 DBADRM CN(C)c1cnc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cn1 ZINC001598348177 1017258627 /nfs/dbraw/zinc/25/86/27/1017258627.db2.gz GESYSIDLAHWALR-RKDXNWHRSA-N -1 0 321.337 -0.891 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1COC[C@@H]1O ZINC001464208504 1009297904 /nfs/dbraw/zinc/29/79/04/1009297904.db2.gz NJQBMCSRZRHMND-QTDQWHRXSA-N -1 0 300.402 -0.523 20 0 DBADRM CCNC(=O)CN(C)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001464288575 1009305030 /nfs/dbraw/zinc/30/50/30/1009305030.db2.gz MEPCPVAJAWHWCZ-UHFFFAOYSA-N -1 0 319.321 -0.526 20 0 DBADRM CN([C@H]1CCN2CCO[C@H]1C2)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001598375518 1017260309 /nfs/dbraw/zinc/26/03/09/1017260309.db2.gz ZVWMIPBRGUKGPZ-QWRGUYRKSA-N -1 0 320.411 -0.168 20 0 DBADRM COCCN(Cc1ccccn1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001464410639 1009308614 /nfs/dbraw/zinc/30/86/14/1009308614.db2.gz OROCGIRURQTUEN-UHFFFAOYSA-N -1 0 307.310 -0.241 20 0 DBADRM CN(CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])Cc1ccccc1 ZINC001598380369 1017260503 /nfs/dbraw/zinc/26/05/03/1017260503.db2.gz GONSJHHYOUKOOF-ZDUSSCGKSA-N -1 0 319.361 -0.080 20 0 DBADRM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1nnn(C)n1 ZINC001464430167 1009311544 /nfs/dbraw/zinc/31/15/44/1009311544.db2.gz SBFUULFTWIQDKU-UHFFFAOYSA-N -1 0 315.286 -0.063 20 0 DBADRM CN([C@]1(CO)CCOC1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001598370827 1017261181 /nfs/dbraw/zinc/26/11/81/1017261181.db2.gz FYAFIHFWEFLQBU-NSHDSACASA-N -1 0 305.308 -0.250 20 0 DBADRM CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598375291 1017261296 /nfs/dbraw/zinc/26/12/96/1017261296.db2.gz SKGJLFBCZUHSMO-MRVPVSSYSA-N -1 0 311.381 -0.700 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001464487655 1009316475 /nfs/dbraw/zinc/31/64/75/1009316475.db2.gz QNFNPKPVGKEDSE-VIFPVBQESA-N -1 0 321.362 -0.185 20 0 DBADRM CN(CC(=O)NCc1ccco1)[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001598392970 1017262741 /nfs/dbraw/zinc/26/27/41/1017262741.db2.gz XAMPWYWVWATRSU-GFCCVEGCSA-N -1 0 323.349 -0.097 20 0 DBADRM CN(CC(=O)NCC(=O)NCC(=O)[O-])C(=O)OC(C)(C)C ZINC001598392788 1017263244 /nfs/dbraw/zinc/26/32/44/1017263244.db2.gz VWBJXBNDTOSMFH-UHFFFAOYSA-N -1 0 303.315 -0.830 20 0 DBADRM CN(CC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC001598396911 1017264550 /nfs/dbraw/zinc/26/45/50/1017264550.db2.gz XTDJENVKEAAKDS-GUBZILKMSA-N -1 0 304.368 -0.915 20 0 DBADRM CN(CC(=O)NCc1ccccc1CC(=O)[O-])S(C)(=O)=O ZINC001598392324 1017265319 /nfs/dbraw/zinc/26/53/19/1017265319.db2.gz BIISHXWKGHSHPF-UHFFFAOYSA-N -1 0 314.363 -0.179 20 0 DBADRM CCCNC(=O)[C@@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)OC ZINC001464739278 1009337043 /nfs/dbraw/zinc/33/70/43/1009337043.db2.gz GPAWHMANVOTEJE-SSDOTTSWSA-N -1 0 318.355 -0.611 20 0 DBADRM CN(CC(C)(CO)CO)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001598425215 1017265922 /nfs/dbraw/zinc/26/59/22/1017265922.db2.gz HILFQVNUBKXRPZ-WDEREUQCSA-N -1 0 303.355 -0.152 20 0 DBADRM CN(C[C@H](O)C(F)(F)F)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001598433129 1017266306 /nfs/dbraw/zinc/26/63/06/1017266306.db2.gz REBWGMSQOIUUSN-YFKPBYRVSA-N -1 0 318.229 -0.084 20 0 DBADRM CCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)[nH]n1)C(=O)OC ZINC001464781192 1009340447 /nfs/dbraw/zinc/34/04/47/1009340447.db2.gz SKQPXFYYFOSPBA-ZETCQYMHSA-N -1 0 319.339 -0.184 20 0 DBADRM CN(CC(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O)c1ncccn1 ZINC001598417297 1017266522 /nfs/dbraw/zinc/26/65/22/1017266522.db2.gz FRXPCMAIGOTBOJ-SNVBAGLBSA-N -1 0 322.321 -0.468 20 0 DBADRM CN(CC(C)(C)C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001598419507 1017266994 /nfs/dbraw/zinc/26/69/94/1017266994.db2.gz KEQFIAPOSPANGG-ZJUUUORDSA-N -1 0 300.355 -0.215 20 0 DBADRM CN1CCN(Cc2ccc(C(=O)NCc3nnn[n-]3)s2)CC1 ZINC001464853042 1009346155 /nfs/dbraw/zinc/34/61/55/1009346155.db2.gz XUBTYWGTDJIZCP-UHFFFAOYSA-N -1 0 321.410 -0.061 20 0 DBADRM CN(CC(F)(F)F)C(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001598429265 1017267461 /nfs/dbraw/zinc/26/74/61/1017267461.db2.gz BBGLOWQMPZXCPD-SSDOTTSWSA-N -1 0 311.260 -0.718 20 0 DBADRM CN(CC(F)F)C(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001598430394 1017267485 /nfs/dbraw/zinc/26/74/85/1017267485.db2.gz LGLMOMZBLOZSTN-ISVAXAHUSA-N -1 0 320.292 -0.340 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)[N-]S(=O)(=O)Cc1ccno1 ZINC001464876234 1009348351 /nfs/dbraw/zinc/34/83/51/1009348351.db2.gz QBYFUBNFRZUIHE-VIFPVBQESA-N -1 0 320.323 -0.601 20 0 DBADRM COc1cccnc1CC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001464878042 1009349713 /nfs/dbraw/zinc/34/97/13/1009349713.db2.gz AAATUUONEXINSJ-NSHDSACASA-N -1 0 304.310 -0.254 20 0 DBADRM CN(CC(C)(C)CO)C(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598423492 1017268061 /nfs/dbraw/zinc/26/80/61/1017268061.db2.gz FMLJACPEAZSACH-AOOOYVTPSA-N -1 0 300.355 -0.215 20 0 DBADRM O=C([C@H]1CCCn2ncnc21)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001464886851 1009351248 /nfs/dbraw/zinc/35/12/48/1009351248.db2.gz WCWYUROBZUNLNS-IUCAKERBSA-N -1 0 304.314 -0.731 20 0 DBADRM COC(=O)[C@H](CNC(=O)CCc1nnn[n-]1)Cc1ccncc1 ZINC001464911562 1009351457 /nfs/dbraw/zinc/35/14/57/1009351457.db2.gz OAMZICBAMCIISW-NSHDSACASA-N -1 0 318.337 -0.325 20 0 DBADRM COCCn1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cn1 ZINC001464885054 1009352975 /nfs/dbraw/zinc/35/29/75/1009352975.db2.gz RGQHALGVCVWIKJ-SNVBAGLBSA-N -1 0 307.314 -0.744 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001465082900 1009360275 /nfs/dbraw/zinc/36/02/75/1009360275.db2.gz FOBRFXBXDKLZOA-MRVPVSSYSA-N -1 0 302.356 -0.422 20 0 DBADRM C[C@@H](CNC(=O)c1c[n-]n2c1nccc2=O)c1nncn1C ZINC001447890629 1009376332 /nfs/dbraw/zinc/37/63/32/1009376332.db2.gz JWNABZCWGUGLPO-QMMMGPOBSA-N -1 0 301.310 -0.315 20 0 DBADRM CCC[C@H](NC(=O)c1cn(C[C@H](O)CC)nn1)c1nnn[n-]1 ZINC001465685474 1009380916 /nfs/dbraw/zinc/38/09/16/1009380916.db2.gz RXAVARKLCJNRKA-BDAKNGLRSA-N -1 0 308.346 -0.167 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCOc1ncccc1Cl ZINC001465738215 1009385607 /nfs/dbraw/zinc/38/56/07/1009385607.db2.gz XULJHIAAADUHJT-UHFFFAOYSA-N -1 0 313.701 -0.067 20 0 DBADRM COC[C@@H](NC(=O)c1nc[n-]c(=O)c1Br)C(N)=O ZINC001466155732 1009409312 /nfs/dbraw/zinc/40/93/12/1009409312.db2.gz XWBOTSVDQMKDSW-SCSAIBSYSA-N -1 0 319.115 -0.825 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001466306066 1009414607 /nfs/dbraw/zinc/41/46/07/1009414607.db2.gz ZCOXMHIWAJIBSO-ZETCQYMHSA-N -1 0 301.324 -0.806 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001466307740 1009415987 /nfs/dbraw/zinc/41/59/87/1009415987.db2.gz VSTXLMJKYRVLBD-WHFBIAKZSA-N -1 0 308.216 -0.706 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@](C)(COC)CC(=O)OC ZINC001466547333 1009428845 /nfs/dbraw/zinc/42/88/45/1009428845.db2.gz NDZLGWNENYTTPG-LLVKDONJSA-N -1 0 300.319 -0.795 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC1(CC(=O)OC)CCOCC1 ZINC001466547417 1009429251 /nfs/dbraw/zinc/42/92/51/1009429251.db2.gz QJMNGYCHOLFQLN-UHFFFAOYSA-N -1 0 312.330 -0.651 20 0 DBADRM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)N=c1nn[n-]n1CC)CC2 ZINC001466547335 1009430115 /nfs/dbraw/zinc/43/01/15/1009430115.db2.gz NGYIRPGUHNQWNU-GHMZBOCLSA-N -1 0 324.385 -0.101 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](CO)Cc1ccc(O)cc1 ZINC001466547624 1009432620 /nfs/dbraw/zinc/43/26/20/1009432620.db2.gz YUPPWAVFMKCETF-SNVBAGLBSA-N -1 0 306.326 -0.454 20 0 DBADRM C[C@@H](NC(=O)Cn1cnnn1)C(=O)[N-]OCc1ccc(F)cc1 ZINC001466782041 1009443675 /nfs/dbraw/zinc/44/36/75/1009443675.db2.gz QYTNZFCUWSHVOG-SECBINFHSA-N -1 0 322.300 -0.435 20 0 DBADRM O=C(NCCN1CCNC(=O)C1)c1s[n-]c(=O)c1Cl ZINC001466785583 1009444776 /nfs/dbraw/zinc/44/47/76/1009444776.db2.gz YUAUQPIDWWMKAQ-UHFFFAOYSA-N -1 0 304.759 -0.336 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc2c1OCC2 ZINC001466838175 1009452093 /nfs/dbraw/zinc/45/20/93/1009452093.db2.gz SQIVMIKOBZTXOL-UHFFFAOYSA-N -1 0 312.347 -0.183 20 0 DBADRM C[C@@H](CNC(=O)C[C@@](C)(O)C1CC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448014154 1009462128 /nfs/dbraw/zinc/46/21/28/1009462128.db2.gz OTEBVPJAPSULNM-LKFCYVNXSA-N -1 0 311.386 -0.002 20 0 DBADRM Cc1nnc(CC(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)o1 ZINC001448015680 1009464310 /nfs/dbraw/zinc/46/43/10/1009464310.db2.gz QPGDPFXVJKSIRN-SSDOTTSWSA-N -1 0 309.330 -0.619 20 0 DBADRM O=C(NCCc1n[n-]c(=S)o1)[C@H]1CCCCS1(=O)=O ZINC001467314700 1009483619 /nfs/dbraw/zinc/48/36/19/1009483619.db2.gz VGZSTCYWYAXNGZ-SSDOTTSWSA-N -1 0 305.381 -0.016 20 0 DBADRM CCc1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c(C)nn1 ZINC001467456215 1009494298 /nfs/dbraw/zinc/49/42/98/1009494298.db2.gz IMCAGIRMAMGFGD-UHFFFAOYSA-N -1 0 317.353 -0.016 20 0 DBADRM CC(=O)c1ncc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)s1 ZINC001467455815 1009494405 /nfs/dbraw/zinc/49/44/05/1009494405.db2.gz CEOLICISOFYZOY-UHFFFAOYSA-N -1 0 322.350 -0.017 20 0 DBADRM COc1cnc(F)c(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c1 ZINC001467456966 1009494751 /nfs/dbraw/zinc/49/47/51/1009494751.db2.gz ZWGNKQOWUZARMZ-UHFFFAOYSA-N -1 0 322.300 -0.134 20 0 DBADRM CCCN1C[C@@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CC1=O ZINC001467456808 1009495229 /nfs/dbraw/zinc/49/52/29/1009495229.db2.gz SVRWXUWTMDTLMM-JTQLQIEISA-N -1 0 322.369 -0.732 20 0 DBADRM COc1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)nn1 ZINC001467456478 1009496702 /nfs/dbraw/zinc/49/67/02/1009496702.db2.gz MZUKQJXLBSGSST-UHFFFAOYSA-N -1 0 305.298 -0.878 20 0 DBADRM CS(=O)(=O)CCCC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001448132003 1009553343 /nfs/dbraw/zinc/55/33/43/1009553343.db2.gz PEONTBATIRFTAF-VIFPVBQESA-N -1 0 301.372 -0.270 20 0 DBADRM CON(C)C(=O)C1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001468409715 1009564777 /nfs/dbraw/zinc/56/47/77/1009564777.db2.gz MSSMVVPUNDATMN-UHFFFAOYSA-N -1 0 311.298 -0.845 20 0 DBADRM CN(CC1CC1)C(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001598448735 1017270648 /nfs/dbraw/zinc/27/06/48/1017270648.db2.gz VVOBLQIKXHPWSE-XHDPSFHLSA-N -1 0 310.350 -0.196 20 0 DBADRM CN(C[C@H](O)CN1CC(O)(C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001598437113 1017270772 /nfs/dbraw/zinc/27/07/72/1017270772.db2.gz SWJRNEPYVIEOTR-VIFPVBQESA-N -1 0 304.343 -0.655 20 0 DBADRM CN(C[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)C1CC=CC1 ZINC001598436284 1017271012 /nfs/dbraw/zinc/27/10/12/1017271012.db2.gz LMAIXRYQTIMASW-NSHDSACASA-N -1 0 320.349 -0.206 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@@H](c2cnccn2)C1 ZINC001598471263 1017271932 /nfs/dbraw/zinc/27/19/32/1017271932.db2.gz ZCAGNRUHTLVTOD-SNVBAGLBSA-N -1 0 314.367 -0.083 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@@H](O)C1CCOCC1 ZINC001598470977 1017272046 /nfs/dbraw/zinc/27/20/46/1017272046.db2.gz DSJHIOCGYAFDPU-SNVBAGLBSA-N -1 0 310.372 -0.985 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001598467048 1017272148 /nfs/dbraw/zinc/27/21/48/1017272148.db2.gz HDLNTGYUSHQBTI-GMTAPVOTSA-N -1 0 302.327 -0.467 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001598467355 1017272352 /nfs/dbraw/zinc/27/23/52/1017272352.db2.gz KXDWPZPNFMPAOE-SNVBAGLBSA-N -1 0 310.306 -0.580 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1cn(C2CCC2)nn1 ZINC001598470092 1017273070 /nfs/dbraw/zinc/27/30/70/1017273070.db2.gz FWYYCLZZDCPRPV-UHFFFAOYSA-N -1 0 317.371 -0.256 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cccc2c1OCC(=O)N2 ZINC001468693343 1009582062 /nfs/dbraw/zinc/58/20/62/1009582062.db2.gz CVFDHIYCPJTNQT-UHFFFAOYSA-N -1 0 305.250 -0.341 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1ccncn1 ZINC001598478567 1017274450 /nfs/dbraw/zinc/27/44/50/1017274450.db2.gz BHOFDZBIBQUYID-VHSXEESVSA-N -1 0 306.322 -0.224 20 0 DBADRM CN(CCCNC(=O)CCn1cncn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598478957 1017274673 /nfs/dbraw/zinc/27/46/73/1017274673.db2.gz FARJNMNJVJRRRK-GHMZBOCLSA-N -1 0 323.353 -0.646 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)CC1(O)CCC1 ZINC001598479349 1017274841 /nfs/dbraw/zinc/27/48/41/1017274841.db2.gz HZQBVDBGIHNZAL-QWRGUYRKSA-N -1 0 312.366 -0.023 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@H](O)c1ccccn1 ZINC001598471610 1017274923 /nfs/dbraw/zinc/27/49/23/1017274923.db2.gz WKEICJIMHLQPFW-JTQLQIEISA-N -1 0 303.340 -0.644 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1cnc[nH]c1=O ZINC001598478561 1017275246 /nfs/dbraw/zinc/27/52/46/1017275246.db2.gz BDNYAGDQFOWHEI-DTWKUNHWSA-N -1 0 322.321 -0.519 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H](CCO)c1ccco1 ZINC001598471684 1017275272 /nfs/dbraw/zinc/27/52/72/1017275272.db2.gz ZXRNHJPCVDZOKZ-VIFPVBQESA-N -1 0 306.340 -0.056 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)Cc1cccnc1 ZINC001598489766 1017282540 /nfs/dbraw/zinc/28/25/40/1017282540.db2.gz XHFQRVILROPSCU-NWDGAFQWSA-N -1 0 305.334 -0.081 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001598473707 1017275650 /nfs/dbraw/zinc/27/56/50/1017275650.db2.gz IHOQPRKMVMIFCR-GHMZBOCLSA-N -1 0 308.338 -0.261 20 0 DBADRM CN(CCCC(=O)N[C@@H](CO)C(=O)[O-])C(=O)c1ccncc1 ZINC001598471713 1017275750 /nfs/dbraw/zinc/27/57/50/1017275750.db2.gz BGLXVKHRMGDCPN-NSHDSACASA-N -1 0 309.322 -0.505 20 0 DBADRM CN(CCCCCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)C(N)=O ZINC001598475683 1017275798 /nfs/dbraw/zinc/27/57/98/1017275798.db2.gz HJCGTNBDLDUDTN-NXEZZACHSA-N -1 0 313.354 -0.673 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc2nnnn2n1 ZINC001598480003 1017276466 /nfs/dbraw/zinc/27/64/66/1017276466.db2.gz QHIXIHPPTSTQNU-DTWKUNHWSA-N -1 0 319.325 -0.818 20 0 DBADRM CN(CCCNC(=O)Cc1nc[nH]n1)c1ncc(C(=O)[O-])cn1 ZINC001598480060 1017276698 /nfs/dbraw/zinc/27/66/98/1017276698.db2.gz AVCCJBPVZHDAAV-UHFFFAOYSA-N -1 0 319.325 -0.522 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1nccnc1N ZINC001598480681 1017277168 /nfs/dbraw/zinc/27/71/68/1017277168.db2.gz YUPJLHXSDCGATL-BDAKNGLRSA-N -1 0 321.337 -0.642 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)CCn1ccnc1 ZINC001598479768 1017277819 /nfs/dbraw/zinc/27/78/19/1017277819.db2.gz MIHYYWGTRZVEGW-NWDGAFQWSA-N -1 0 322.365 -0.041 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)CCc1cncn1C ZINC001598489509 1017282730 /nfs/dbraw/zinc/28/27/30/1017282730.db2.gz QWZDWPNHGPGGBA-VXGBXAGGSA-N -1 0 322.365 -0.352 20 0 DBADRM O=C(NC[C@@H]1CNC(=O)C1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001469019777 1009614533 /nfs/dbraw/zinc/61/45/33/1009614533.db2.gz RNHJSIUNCZEEJB-QMMMGPOBSA-N -1 0 317.305 -0.868 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])CC(=O)Nc1ccon1 ZINC001598485608 1017280060 /nfs/dbraw/zinc/28/00/60/1017280060.db2.gz GMLLDTWTCBLCKJ-NXEZZACHSA-N -1 0 324.337 -0.276 20 0 DBADRM CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)c1cn(C)cn1 ZINC001598483114 1017280266 /nfs/dbraw/zinc/28/02/66/1017280266.db2.gz NLBPNBBJYCIMBR-UHFFFAOYSA-N -1 0 318.337 -0.096 20 0 DBADRM CN(CCN(C)c1ccnc(C(=O)[O-])n1)C(=O)c1cnn(C)n1 ZINC001598485069 1017280404 /nfs/dbraw/zinc/28/04/04/1017280404.db2.gz MJBOEJHOQHCNHU-UHFFFAOYSA-N -1 0 319.325 -0.488 20 0 DBADRM CN(CCCNc1ncc(C(=O)[O-])cn1)C(=O)[C@@H]1COC(=O)N1 ZINC001598483629 1017280427 /nfs/dbraw/zinc/28/04/27/1017280427.db2.gz XBBJHJVTCDFGBF-VIFPVBQESA-N -1 0 323.309 -0.456 20 0 DBADRM CN(CCCNC(=O)c1ccnn1C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598481245 1017280554 /nfs/dbraw/zinc/28/05/54/1017280554.db2.gz KHUASIDZPASSRU-VHSXEESVSA-N -1 0 308.338 -0.281 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1cnsn1 ZINC001598485423 1017280618 /nfs/dbraw/zinc/28/06/18/1017280618.db2.gz DDEISOZSYZQMFW-YUMQZZPRSA-N -1 0 312.351 -0.211 20 0 DBADRM CN(CCN1CCOCC1)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598488691 1017281990 /nfs/dbraw/zinc/28/19/90/1017281990.db2.gz JCDVMUVLQYKEJF-PHIMTYICSA-N -1 0 306.384 -0.557 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)CCc1cnccn1 ZINC001598489091 1017283058 /nfs/dbraw/zinc/28/30/58/1017283058.db2.gz LCZLLTWWSJPBLS-VXGBXAGGSA-N -1 0 320.349 -0.296 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1c[nH]nc1-c1cnn(C)c1 ZINC001469450863 1009657362 /nfs/dbraw/zinc/65/73/62/1009657362.db2.gz BNMNBAZCHZRDMA-UHFFFAOYSA-N -1 0 303.282 -0.241 20 0 DBADRM Cn1nnc2c1CC[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C2 ZINC001469521891 1009667145 /nfs/dbraw/zinc/66/71/45/1009667145.db2.gz UBCILIUHCTWYKS-ZCFIWIBFSA-N -1 0 309.355 -0.595 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCN=S1(=O)CCCC1 ZINC001469624555 1009679003 /nfs/dbraw/zinc/67/90/03/1009679003.db2.gz XMIAIOMUUSBTNL-UHFFFAOYSA-N -1 0 303.344 -0.933 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCc1cc(=O)[nH]c(=S)[nH]1 ZINC001469718359 1009684657 /nfs/dbraw/zinc/68/46/57/1009684657.db2.gz ADKHTHWWFXRNCF-UHFFFAOYSA-N -1 0 314.352 -0.297 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NC(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001469785986 1009689936 /nfs/dbraw/zinc/68/99/36/1009689936.db2.gz ATSHYBFQSIBAQS-SYDPRGILSA-N -1 0 315.127 -0.062 20 0 DBADRM CN(C)C(=O)OCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001469892735 1009700134 /nfs/dbraw/zinc/70/01/34/1009700134.db2.gz XGXCCRNDQWVYFV-UHFFFAOYSA-N -1 0 319.325 -0.497 20 0 DBADRM O=C(c1c[n-]ncc1=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001470193647 1009721287 /nfs/dbraw/zinc/72/12/87/1009721287.db2.gz NMUMQAKJBYISRH-UHFFFAOYSA-N -1 0 312.351 -0.568 20 0 DBADRM O=C([C@H]1CCn2cncc2C1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448341461 1009723250 /nfs/dbraw/zinc/72/32/50/1009723250.db2.gz FRXWCXHAOKJDLB-JTQLQIEISA-N -1 0 317.353 -0.531 20 0 DBADRM CC(=O)NCCCCCC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448341550 1009723893 /nfs/dbraw/zinc/72/38/93/1009723893.db2.gz HAIIQHSLSMSTCT-UHFFFAOYSA-N -1 0 324.385 -0.294 20 0 DBADRM O=C([C@@H]1CC12CCOCC2)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448354687 1009732313 /nfs/dbraw/zinc/73/23/13/1009732313.db2.gz XYJYZDYGMKRZSZ-JTQLQIEISA-N -1 0 307.354 -0.174 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448353720 1009734411 /nfs/dbraw/zinc/73/44/11/1009734411.db2.gz ULKHZABPKVMUAZ-POHAHGRESA-N -1 0 324.366 -0.944 20 0 DBADRM Cn1cnnc1[C@H](CO)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001470345324 1009743325 /nfs/dbraw/zinc/74/33/25/1009743325.db2.gz NNMAMFKPRKDVRI-ZETCQYMHSA-N -1 0 304.266 -0.480 20 0 DBADRM COC(=O)c1cc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)ccn1 ZINC001470603510 1009770225 /nfs/dbraw/zinc/77/02/25/1009770225.db2.gz WRIJDMFCRYIZTO-UHFFFAOYSA-N -1 0 307.266 -0.813 20 0 DBADRM CC[C@H](C)C(=O)NCC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001448441546 1009774430 /nfs/dbraw/zinc/77/44/30/1009774430.db2.gz CJKCQHHSENUKST-DTWKUNHWSA-N -1 0 313.358 -0.254 20 0 DBADRM CC[C@@H](C)C(=O)NCC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001448441556 1009775326 /nfs/dbraw/zinc/77/53/26/1009775326.db2.gz CJKCQHHSENUKST-RKDXNWHRSA-N -1 0 313.358 -0.254 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC2(CNC(=O)N2C)CC1 ZINC001470701599 1009779087 /nfs/dbraw/zinc/77/90/87/1009779087.db2.gz LVKFSXCYSPFEKL-UHFFFAOYSA-N -1 0 313.358 -0.747 20 0 DBADRM O=C(C[C@@H]1CC(=O)NC1=O)Nc1ccccc1-c1nn[nH]n1 ZINC001470789200 1009787810 /nfs/dbraw/zinc/78/78/10/1009787810.db2.gz KBPHURJCXGVJTK-SSDOTTSWSA-N -1 0 300.278 -0.142 20 0 DBADRM CN1CCn2nc(NC(=O)CCCn3c(=O)[n-][nH]c3=O)cc2C1 ZINC001471332290 1009817762 /nfs/dbraw/zinc/81/77/62/1009817762.db2.gz OBZGSUMXLXWJHT-UHFFFAOYSA-N -1 0 321.341 -0.250 20 0 DBADRM NC(=O)c1ccc(C=CC(=O)N2CC[C@H](c3nnn[n-]3)C2)o1 ZINC001471459636 1009824126 /nfs/dbraw/zinc/82/41/26/1009824126.db2.gz JNBFRJTYEZTICI-KHVHVRLGSA-N -1 0 302.294 -0.079 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001471459317 1009825253 /nfs/dbraw/zinc/82/52/53/1009825253.db2.gz COHSFOYYVDZTSW-JTQLQIEISA-N -1 0 315.399 -0.024 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NCc2nncn2C)c1[O-] ZINC001448636353 1009833218 /nfs/dbraw/zinc/83/32/18/1009833218.db2.gz FIYPPRPWYQTUBN-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM NC(=O)COc1ccc(C(=O)NC2(c3nnn[n-]3)CCC2)cc1 ZINC001471659840 1009836562 /nfs/dbraw/zinc/83/65/62/1009836562.db2.gz RNMIBOGUSWNIEQ-UHFFFAOYSA-N -1 0 316.321 -0.127 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1C[C@@H]2COC[C@@H]2C1 ZINC001471695352 1009841163 /nfs/dbraw/zinc/84/11/63/1009841163.db2.gz SPKZDOSYIWKBTA-PHIMTYICSA-N -1 0 316.317 -0.015 20 0 DBADRM COC[C@@H](NC(=O)CNC(=O)CC1CCCC1)c1nnn[n-]1 ZINC001471846466 1009848998 /nfs/dbraw/zinc/84/89/98/1009848998.db2.gz VOLGAPFHENALGJ-SNVBAGLBSA-N -1 0 310.358 -0.300 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CCN(CC(F)(F)F)C1)c1nnn[n-]1 ZINC001471845199 1009849007 /nfs/dbraw/zinc/84/90/07/1009849007.db2.gz HBEWZLPMGVAOQJ-SFYZADRCSA-N -1 0 322.291 -0.112 20 0 DBADRM COC[C@H](NC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O)c1nnn[n-]1 ZINC001471844872 1009849751 /nfs/dbraw/zinc/84/97/51/1009849751.db2.gz BKVMXAKREMDYSW-PRJMDXOYSA-N -1 0 305.360 -0.927 20 0 DBADRM O=C(CC1(O)CCOCC1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001471853735 1009850828 /nfs/dbraw/zinc/85/08/28/1009850828.db2.gz MSQHSEKCIDAOIE-LLVKDONJSA-N -1 0 309.370 -0.088 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001471853720 1009851655 /nfs/dbraw/zinc/85/16/55/1009851655.db2.gz MNNKESOIQSMSCU-NXEZZACHSA-N -1 0 315.399 -0.339 20 0 DBADRM CC(C)O[C@]1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCOC1 ZINC001471998305 1009859776 /nfs/dbraw/zinc/85/97/76/1009859776.db2.gz PKOPDXHJMCNPIH-LBPRGKRZSA-N -1 0 300.315 -0.610 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cnn(Cc2ccccc2)c1N ZINC001472184993 1009871847 /nfs/dbraw/zinc/87/18/47/1009871847.db2.gz AZYJJEZPMINYAD-UHFFFAOYSA-N -1 0 303.322 -0.079 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001472236443 1009875545 /nfs/dbraw/zinc/87/55/45/1009875545.db2.gz KTOVLBRGYONNIZ-WCBMZHEXSA-N -1 0 318.399 -0.123 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2cnns2)c1[O-] ZINC001448789702 1009877505 /nfs/dbraw/zinc/87/75/05/1009877505.db2.gz FKSUCKYSLYWVRJ-UHFFFAOYSA-N -1 0 310.339 -0.223 20 0 DBADRM O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1n[nH]c(=O)[n-]1 ZINC001472488925 1009887318 /nfs/dbraw/zinc/88/73/18/1009887318.db2.gz NLWBGXALCBNJPZ-UHFFFAOYSA-N -1 0 316.321 -0.060 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(CCN3CCCC3=O)CC2)c1[O-] ZINC001472948901 1009902571 /nfs/dbraw/zinc/90/25/71/1009902571.db2.gz PWLKWHMODKYCOO-UHFFFAOYSA-N -1 0 321.381 -0.196 20 0 DBADRM Cc1nc(CN[C@@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])c(C)o1 ZINC001448836246 1009944798 /nfs/dbraw/zinc/94/47/98/1009944798.db2.gz MUQBXGACLUDLPB-SNVBAGLBSA-N -1 0 323.353 -0.091 20 0 DBADRM Cc1ncc(CN[C@@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001448844710 1009957803 /nfs/dbraw/zinc/95/78/03/1009957803.db2.gz UXUZZRLRAIUAIS-SECBINFHSA-N -1 0 309.326 -0.399 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ncc[n-]1)C(=O)NCC(F)(F)F ZINC001474860299 1009981051 /nfs/dbraw/zinc/98/10/51/1009981051.db2.gz RALOVBLJMZQKQS-RXMQYKEDSA-N -1 0 300.262 -0.245 20 0 DBADRM CN(CCNC(=O)c1c[n-]n2c1nccc2=O)C(=O)C(F)F ZINC001448879686 1010009992 /nfs/dbraw/zinc/00/99/92/1010009992.db2.gz TUDWQWYWRUUZIZ-UHFFFAOYSA-N -1 0 313.264 -0.524 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H](C(N)=O)C(C)C ZINC001475352712 1010016848 /nfs/dbraw/zinc/01/68/48/1010016848.db2.gz KDTDFABHYRVNMR-MRVPVSSYSA-N -1 0 304.324 -0.146 20 0 DBADRM CCOc1ccncc1S(=O)(=O)NCc1nc(=O)o[n-]1 ZINC001475363390 1010020652 /nfs/dbraw/zinc/02/06/52/1010020652.db2.gz BXPFCTJDNNCIMK-UHFFFAOYSA-N -1 0 300.296 -0.365 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)NCc1nc(=O)o[n-]1 ZINC001475365500 1010021971 /nfs/dbraw/zinc/02/19/71/1010021971.db2.gz ZATRYXOQENBPDE-SSDOTTSWSA-N -1 0 307.328 -0.486 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@]2(C)CCC(=O)N2)n[nH]1 ZINC001475367849 1010022363 /nfs/dbraw/zinc/02/23/63/1010022363.db2.gz HXGKJGRDQSMTEG-LLVKDONJSA-N -1 0 316.339 -0.857 20 0 DBADRM CCOCCS(=O)(=O)N[C@H](C)c1nc(C(=O)OCC)n[nH]1 ZINC001475480789 1010029839 /nfs/dbraw/zinc/02/98/39/1010029839.db2.gz IAGAVVXFOIGHJU-MRVPVSSYSA-N -1 0 320.371 -0.002 20 0 DBADRM CCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)[nH]n2)nn1 ZINC001475475287 1010031773 /nfs/dbraw/zinc/03/17/73/1010031773.db2.gz CVBNSDUACLOBOQ-UHFFFAOYSA-N -1 0 314.327 -0.714 20 0 DBADRM CON(C)C(=O)[C@H](C)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001475545300 1010036341 /nfs/dbraw/zinc/03/63/41/1010036341.db2.gz UZOAXIXNXMXBSN-QMMMGPOBSA-N -1 0 313.401 -0.509 20 0 DBADRM COC(=O)C[C@H](O)CNS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001475556403 1010037707 /nfs/dbraw/zinc/03/77/07/1010037707.db2.gz VAAGCXDGINQUGM-VIFPVBQESA-N -1 0 307.299 -0.266 20 0 DBADRM CC[C@@H](CS(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)OC ZINC001595203264 1017080593 /nfs/dbraw/zinc/08/05/93/1017080593.db2.gz PEWFBWZAHLCGRM-VIFPVBQESA-N -1 0 318.355 -0.412 20 0 DBADRM CC[C@@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@@H]1CCCCO1 ZINC001595228085 1017081187 /nfs/dbraw/zinc/08/11/87/1017081187.db2.gz BVBQLRXXTDRIPF-AEJSXWLSSA-N -1 0 304.318 -0.011 20 0 DBADRM COC[C@@H](O)C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC001475771115 1010058350 /nfs/dbraw/zinc/05/83/50/1010058350.db2.gz ABGZGPOJFUPSSN-QPFGOUBPSA-N -1 0 302.418 -0.276 20 0 DBADRM CCOC(=O)CC1([N-]S(=O)(=O)Cc2noc(C)n2)COC1 ZINC001475778021 1010059160 /nfs/dbraw/zinc/05/91/60/1010059160.db2.gz BCRMYQWBGVXDNT-UHFFFAOYSA-N -1 0 319.339 -0.480 20 0 DBADRM CCC[C@H](C(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-])S(N)(=O)=O ZINC001595532950 1017089241 /nfs/dbraw/zinc/08/92/41/1017089241.db2.gz PXYALUKCFVYHGZ-YGOYTEALSA-N -1 0 322.383 -0.466 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C1=O ZINC001595371361 1017083234 /nfs/dbraw/zinc/08/32/34/1017083234.db2.gz BGRZRZNVODGNGH-WIMUKIRHSA-N -1 0 313.310 -0.935 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)NC[C@@H](O)CC(=O)[O-])C1=O ZINC001595376519 1017083435 /nfs/dbraw/zinc/08/34/35/1017083435.db2.gz ARGATVYQTDEPGT-QMMMGPOBSA-N -1 0 315.326 -0.951 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCS(=O)(=O)C(C)(C)C1 ZINC001476595135 1010074277 /nfs/dbraw/zinc/07/42/77/1010074277.db2.gz NEYPNTALRCKSIJ-QMMMGPOBSA-N -1 0 316.387 -0.408 20 0 DBADRM CCC1(CC(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])COC1 ZINC001595372770 1017083732 /nfs/dbraw/zinc/08/37/32/1017083732.db2.gz UDWSVVSWHPKHRO-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001595365419 1017084033 /nfs/dbraw/zinc/08/40/33/1017084033.db2.gz TZQUZDGYPKZXST-NXEZZACHSA-N -1 0 310.350 -0.413 20 0 DBADRM CC[C@@H](OC)C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O ZINC001595355289 1017084281 /nfs/dbraw/zinc/08/42/81/1017084281.db2.gz UGTYXORRGCLNSW-OUAUKWLOSA-N -1 0 324.337 -0.735 20 0 DBADRM CC[C@H](OC)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001595355220 1017084412 /nfs/dbraw/zinc/08/44/12/1017084412.db2.gz RRBJIKWZWKTAQQ-UTLUCORTSA-N -1 0 324.337 -0.735 20 0 DBADRM CC[C@]1(C(=O)NCCNc2ncc(C(=O)[O-])cn2)CCNC1=O ZINC001595367138 1017084760 /nfs/dbraw/zinc/08/47/60/1017084760.db2.gz ZBDQEJSNAXWKRY-AWEZNQCLSA-N -1 0 321.337 -0.381 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)C1 ZINC001595392241 1017084794 /nfs/dbraw/zinc/08/47/94/1017084794.db2.gz BKFHBOMDXZKNFP-VCTAVGKDSA-N -1 0 312.366 -0.071 20 0 DBADRM CC[C@]1(C(=O)O[C@H](C)c2cn(CC(=O)[O-])nn2)CCNC1=O ZINC001595368337 1017084858 /nfs/dbraw/zinc/08/48/58/1017084858.db2.gz GSAOUJKMZUQBSO-OQPBUACISA-N -1 0 310.310 -0.117 20 0 DBADRM CC[C@@H]1CN(CCC(=O)N(C)CC(=O)[O-])C[C@@H](C)S1(=O)=O ZINC001595486255 1017086811 /nfs/dbraw/zinc/08/68/11/1017086811.db2.gz CFNXYGNKRTUZLU-GHMZBOCLSA-N -1 0 320.411 -0.183 20 0 DBADRM CC[C@@H](C(=O)N1CC(O)(C(=O)[O-])C1)N1CCO[C@H](CC)C1 ZINC001595484588 1017087096 /nfs/dbraw/zinc/08/70/96/1017087096.db2.gz UARZLJRGTDBMKW-MNOVXSKESA-N -1 0 300.355 -0.466 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2cnn(C)c2)c1[O-] ZINC001477524134 1010103954 /nfs/dbraw/zinc/10/39/54/1010103954.db2.gz ARYFWXNQBQXODL-SNVBAGLBSA-N -1 0 318.337 -0.198 20 0 DBADRM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001595405538 1017087982 /nfs/dbraw/zinc/08/79/82/1017087982.db2.gz RLQYAJAXGZFXIV-SSDOTTSWSA-N -1 0 302.312 -0.993 20 0 DBADRM COC(=O)NCCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001478633842 1010156883 /nfs/dbraw/zinc/15/68/83/1010156883.db2.gz YLBZAMTYJCTQJI-MRVPVSSYSA-N -1 0 312.330 -0.245 20 0 DBADRM CN(CCNC(=O)Cn1cccn1)c1ncc(C(=O)[O-])cn1 ZINC001598491002 1017284141 /nfs/dbraw/zinc/28/41/41/1017284141.db2.gz NRELBAAOMOLIFX-UHFFFAOYSA-N -1 0 304.310 -0.376 20 0 DBADRM CN(CCNC(=O)C[C@H]1CCC(=O)N1)c1ccnc(C(=O)[O-])n1 ZINC001598491707 1017284577 /nfs/dbraw/zinc/28/45/77/1017284577.db2.gz SRELIDVKWVQKNG-SECBINFHSA-N -1 0 321.337 -0.604 20 0 DBADRM CN(CCNC(=O)CNC(=O)C1CC1)c1ccnc(C(=O)[O-])n1 ZINC001598491216 1017284946 /nfs/dbraw/zinc/28/49/46/1017284946.db2.gz UAXUQTOMDUIXQT-UHFFFAOYSA-N -1 0 321.337 -0.747 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001598521603 1017296721 /nfs/dbraw/zinc/29/67/21/1017296721.db2.gz WKCPFIDRPYNWEF-WDSKDSINSA-N -1 0 318.273 -0.997 20 0 DBADRM CN(Cc1ncnn1CC(F)F)Cn1cc(C(=O)[O-])nn1 ZINC001598539109 1017296748 /nfs/dbraw/zinc/29/67/48/1017296748.db2.gz PIRFRXNQWKNCCM-UHFFFAOYSA-N -1 0 301.257 -0.078 20 0 DBADRM CN(CCNC(=O)CO[C@H]1CCOC1)c1ncc(C(=O)[O-])cn1 ZINC001598490553 1017285954 /nfs/dbraw/zinc/28/59/54/1017285954.db2.gz MALQASZNCPUCBO-NSHDSACASA-N -1 0 324.337 -0.467 20 0 DBADRM CN(CCNC(=O)c1cn(C)ccc1=O)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598493297 1017286714 /nfs/dbraw/zinc/28/67/14/1017286714.db2.gz VWCUUXZRWLEMDS-NXEZZACHSA-N -1 0 321.333 -0.706 20 0 DBADRM CN(CCNC(=O)c1cccnn1)c1ccnc(C(=O)[O-])n1 ZINC001598493334 1017288758 /nfs/dbraw/zinc/28/87/58/1017288758.db2.gz XUSVLUXLUYCUOB-UHFFFAOYSA-N -1 0 302.294 -0.169 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)[C@@H]1CCCOC1 ZINC001598495291 1017288785 /nfs/dbraw/zinc/28/87/85/1017288785.db2.gz CVFFFKJHYKZTNY-SNVBAGLBSA-N -1 0 308.338 -0.106 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001598494095 1017288830 /nfs/dbraw/zinc/28/88/30/1017288830.db2.gz MCCRJCOGUNMVDR-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC001479462664 1010290226 /nfs/dbraw/zinc/29/02/26/1010290226.db2.gz BVYJCAFPVMHDLH-ZYHUDNBSSA-N -1 0 315.370 -0.327 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)[C@H]1C[C@]12CCOC2 ZINC001598495619 1017290501 /nfs/dbraw/zinc/29/05/01/1017290501.db2.gz LDUVDDWFWBNACA-BMIGLBTASA-N -1 0 320.349 -0.106 20 0 DBADRM CN(CCNc1nccn2nnnc12)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598496214 1017291349 /nfs/dbraw/zinc/29/13/49/1017291349.db2.gz ZLTGYOVZMFEMFW-YUMQZZPRSA-N -1 0 305.298 -0.890 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)Cc1ncc[nH]1 ZINC001598495743 1017291648 /nfs/dbraw/zinc/29/16/48/1017291648.db2.gz NGBADMPUMILCNJ-UHFFFAOYSA-N -1 0 304.310 -0.567 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001598540044 1017296897 /nfs/dbraw/zinc/29/68/97/1017296897.db2.gz KZGXVKFWBNBISX-NXEZZACHSA-N -1 0 319.310 -0.096 20 0 DBADRM CN(C[C@H](O)CO)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001598503331 1017293050 /nfs/dbraw/zinc/29/30/50/1017293050.db2.gz MWNVTXBRPZFRBG-QMMMGPOBSA-N -1 0 303.340 -0.023 20 0 DBADRM CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001598503622 1017293682 /nfs/dbraw/zinc/29/36/82/1017293682.db2.gz RZURMOBXJCCSQB-QMMMGPOBSA-N -1 0 314.269 -0.726 20 0 DBADRM CN(Cc1cccc(=O)[nH]1)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001598524533 1017294678 /nfs/dbraw/zinc/29/46/78/1017294678.db2.gz HQOKPXXQMBTISM-VIFPVBQESA-N -1 0 307.306 -0.321 20 0 DBADRM CN(Cc1cccc(=O)[nH]1)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001598524686 1017295740 /nfs/dbraw/zinc/29/57/40/1017295740.db2.gz PXAXMDMIRRFEJT-UHFFFAOYSA-N -1 0 324.337 -0.090 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC001598514695 1017296296 /nfs/dbraw/zinc/29/62/96/1017296296.db2.gz OWINVAVPWBAEEB-UHFFFAOYSA-N -1 0 315.351 -0.370 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CN(C)Cc2cnon2)c1[O-] ZINC001449200230 1010374807 /nfs/dbraw/zinc/37/48/07/1010374807.db2.gz KHHTZEWIZACLKZ-SNVBAGLBSA-N -1 0 324.341 -0.628 20 0 DBADRM CN1CCO[C@@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C1=O ZINC001449240881 1010398540 /nfs/dbraw/zinc/39/85/40/1010398540.db2.gz MZYCOCQCTVCMRN-JTQLQIEISA-N -1 0 317.305 -0.027 20 0 DBADRM Cc1cc(CN(C)CCCNC(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001479810587 1010400966 /nfs/dbraw/zinc/40/09/66/1010400966.db2.gz OGKVWYFQCKQPKO-UHFFFAOYSA-N -1 0 324.341 -0.376 20 0 DBADRM C[C@H](C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001479820030 1010405313 /nfs/dbraw/zinc/40/53/13/1010405313.db2.gz FZTPWIJCLKPPHC-JTQLQIEISA-N -1 0 321.385 -0.014 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001479904442 1010438644 /nfs/dbraw/zinc/43/86/44/1010438644.db2.gz KDBZGIJQQWRDNW-NXEZZACHSA-N -1 0 324.385 -0.494 20 0 DBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@@H](C)NC(=O)C1CCC1 ZINC001449568818 1010510846 /nfs/dbraw/zinc/51/08/46/1010510846.db2.gz DCKWRDVZWBEPRJ-RKDXNWHRSA-N -1 0 322.365 -0.091 20 0 DBADRM CCC[C@@H](C(=O)N1CCSC[C@@H]1CC(=O)[O-])S(N)(=O)=O ZINC001595532115 1017089594 /nfs/dbraw/zinc/08/95/94/1017089594.db2.gz DMKFWMHETAOVCS-IUCAKERBSA-N -1 0 324.424 -0.138 20 0 DBADRM CCC[C@H](C(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-])S(N)(=O)=O ZINC001595532948 1017090164 /nfs/dbraw/zinc/09/01/64/1017090164.db2.gz PXYALUKCFVYHGZ-SBMIAAHKSA-N -1 0 322.383 -0.466 20 0 DBADRM CCCC(=O)NCCN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001595529312 1017090221 /nfs/dbraw/zinc/09/02/21/1017090221.db2.gz LCOVKRJSHXBPFO-VXGBXAGGSA-N -1 0 311.382 -0.232 20 0 DBADRM C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H](C)NC(=O)C1(C)CC1 ZINC001449664868 1010540269 /nfs/dbraw/zinc/54/02/69/1010540269.db2.gz HJGNAUOVVXFBEF-IUCAKERBSA-N -1 0 322.365 -0.091 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NC(=O)Cn2ccnc2)c1[O-] ZINC001449669362 1010541476 /nfs/dbraw/zinc/54/14/76/1010541476.db2.gz WTHUKIPWSMEQAC-DTWKUNHWSA-N -1 0 320.353 -0.057 20 0 DBADRM CCC[C@H](C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])S(N)(=O)=O ZINC001595535307 1017090489 /nfs/dbraw/zinc/09/04/89/1017090489.db2.gz AEHZLMZKKLUCQN-PHDIDXHHSA-N -1 0 320.289 -0.035 20 0 DBADRM CCCC(=O)NCC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001595527461 1017090891 /nfs/dbraw/zinc/09/08/91/1017090891.db2.gz JAMQITJTRIKMJJ-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM CCC[C@@H](CCCS(C)(=O)=O)C(=O)NC[C@H](O)C(=O)[O-] ZINC001595587021 1017091369 /nfs/dbraw/zinc/09/13/69/1017091369.db2.gz YMTUCGWLHQMRMH-UWVGGRQHSA-N -1 0 309.384 -0.211 20 0 DBADRM CCC[C@H](C)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001595580089 1017091441 /nfs/dbraw/zinc/09/14/41/1017091441.db2.gz YRPFSYXWDPFZBR-IUCAKERBSA-N -1 0 313.397 -0.312 20 0 DBADRM CCC[C@](C)(O)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001595566529 1017091747 /nfs/dbraw/zinc/09/17/47/1017091747.db2.gz SEIIXTLGDZIURV-HZMBPMFUSA-N -1 0 300.355 -0.023 20 0 DBADRM CCC[C@@H](O)[C@@H](CO)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001595607298 1017091850 /nfs/dbraw/zinc/09/18/50/1017091850.db2.gz DTGGYIXRKNCIRX-GHMZBOCLSA-N -1 0 312.322 -0.815 20 0 DBADRM CCC[C@@H](CCCS(C)(=O)=O)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001595586905 1017092711 /nfs/dbraw/zinc/09/27/11/1017092711.db2.gz UQMGBZHQVJAWSY-UWVGGRQHSA-N -1 0 309.384 -0.211 20 0 DBADRM CCC[C@@H](O)[C@H](CO)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001595607303 1017093304 /nfs/dbraw/zinc/09/33/04/1017093304.db2.gz DTGGYIXRKNCIRX-WDEREUQCSA-N -1 0 312.322 -0.815 20 0 DBADRM CCCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001595616002 1017094852 /nfs/dbraw/zinc/09/48/52/1017094852.db2.gz XGKGUYFVUXCCEK-GHMZBOCLSA-N -1 0 324.377 -0.023 20 0 DBADRM CCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001595832285 1017100013 /nfs/dbraw/zinc/10/00/13/1017100013.db2.gz CXAWNNDSZZMYQZ-SSDOTTSWSA-N -1 0 319.339 -0.640 20 0 DBADRM CCCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC001595627210 1017095116 /nfs/dbraw/zinc/09/51/16/1017095116.db2.gz TZBKQAVKMJYCQC-BDAKNGLRSA-N -1 0 304.368 -0.360 20 0 DBADRM CCCC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)[O-] ZINC001595635492 1017095178 /nfs/dbraw/zinc/09/51/78/1017095178.db2.gz WUDWLRAGBSKSEG-VIFPVBQESA-N -1 0 309.388 -0.516 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)Cc2cnc[nH]2)c1[O-] ZINC001449872136 1010585701 /nfs/dbraw/zinc/58/57/01/1010585701.db2.gz QHUSYZVRPZTFJS-QMMMGPOBSA-N -1 0 320.353 -0.034 20 0 DBADRM CCCCCN(CCO)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001595716275 1017097170 /nfs/dbraw/zinc/09/71/70/1017097170.db2.gz VKACISVGZUONJK-XYPYZODXSA-N -1 0 300.355 -0.023 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001595787843 1017099876 /nfs/dbraw/zinc/09/98/76/1017099876.db2.gz SHJSEIFBGMWZDH-SSDOTTSWSA-N -1 0 316.326 -0.070 20 0 DBADRM CCCCN(CC(=O)NCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001595741443 1017097382 /nfs/dbraw/zinc/09/73/82/1017097382.db2.gz MERSANYYFPZFPJ-LLVKDONJSA-N -1 0 320.411 -0.134 20 0 DBADRM CCCCOCCNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001595770627 1017098789 /nfs/dbraw/zinc/09/87/89/1017098789.db2.gz ZVXZNRNBYZSCDG-NSHDSACASA-N -1 0 316.354 -0.379 20 0 DBADRM CCCCN(CC(=O)NCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001595741445 1017098882 /nfs/dbraw/zinc/09/88/82/1017098882.db2.gz MERSANYYFPZFPJ-NSHDSACASA-N -1 0 320.411 -0.134 20 0 DBADRM CCCCNC(=O)NC(=O)CN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001595760119 1017099276 /nfs/dbraw/zinc/09/92/76/1017099276.db2.gz SMAPYFPUCBSWMW-ZJUUUORDSA-N -1 0 301.343 -0.214 20 0 DBADRM CN1C(=O)CN(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001598551029 1017297863 /nfs/dbraw/zinc/29/78/63/1017297863.db2.gz KMWSDMUBNAMYFD-VIFPVBQESA-N -1 0 322.325 -0.535 20 0 DBADRM CN1C(=O)CN(CC(=O)NCc2ccc(C(=O)[O-])nc2)C1=O ZINC001598550996 1017298095 /nfs/dbraw/zinc/29/80/95/1017298095.db2.gz JCMZSDNUIQULQI-UHFFFAOYSA-N -1 0 306.278 -0.710 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1=O ZINC001598550097 1017298601 /nfs/dbraw/zinc/29/86/01/1017298601.db2.gz XQAUYQSZVUHEQO-AEJSXWLSSA-N -1 0 312.322 -0.480 20 0 DBADRM CN1C(=O)CC[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])C1=O ZINC001598547213 1017298749 /nfs/dbraw/zinc/29/87/49/1017298749.db2.gz ATUZYANBHKMOIH-SECBINFHSA-N -1 0 320.367 -0.302 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)[C@@H]1C[C@H]1C ZINC001450047485 1010622267 /nfs/dbraw/zinc/62/22/67/1010622267.db2.gz PKMQUSADQULKFF-HRDYMLBCSA-N -1 0 311.342 -0.692 20 0 DBADRM CN1C(=O)NC2(CCN(Cc3cc(C(=O)[O-])no3)CC2)C1=O ZINC001598556799 1017300893 /nfs/dbraw/zinc/30/08/93/1017300893.db2.gz NOALGQYNBFOUTN-UHFFFAOYSA-N -1 0 308.294 -0.111 20 0 DBADRM CN1C2(CCC2)COC[C@@]1(CO)CNc1ccnc(C(=O)[O-])n1 ZINC001598556571 1017301014 /nfs/dbraw/zinc/30/10/14/1017301014.db2.gz QMIRCBMBGLXMKL-HNNXBMFYSA-N -1 0 322.365 -0.376 20 0 DBADRM CN1C(=O)CO[C@@H](C(=O)N2CC[C@@H]2C(=O)[O-])[C@@H]1c1cccnc1 ZINC001598553867 1017301227 /nfs/dbraw/zinc/30/12/27/1017301227.db2.gz YYICPSAMVFTZIE-KGYLQXTDSA-N -1 0 319.317 -0.335 20 0 DBADRM CN1C(=O)COc2ccc(C(=O)N[C@@](C)(CO)C(=O)[O-])cc21 ZINC001598552553 1017301402 /nfs/dbraw/zinc/30/14/02/1017301402.db2.gz BITOORSUFGZCKR-AWEZNQCLSA-N -1 0 308.290 -0.393 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001598553260 1017301471 /nfs/dbraw/zinc/30/14/71/1017301471.db2.gz ICMMYZYGMZRSOP-SOUAVXJDSA-N -1 0 300.336 -0.265 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001598553931 1017301502 /nfs/dbraw/zinc/30/15/02/1017301502.db2.gz PURONBDTMDDFSI-LHJMJDNXSA-N -1 0 300.336 -0.360 20 0 DBADRM CN1C(=O)CN(NC(=O)c2ccc(OCC(=O)[O-])cc2)C1=O ZINC001598552562 1017301751 /nfs/dbraw/zinc/30/17/51/1017301751.db2.gz KWBCPAAWGYIODT-UHFFFAOYSA-N -1 0 307.262 -0.311 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)NCCC(C)(C)C(=O)[O-])C[C@H]2C1=O ZINC001598557283 1017302071 /nfs/dbraw/zinc/30/20/71/1017302071.db2.gz WSLTYSFXYAICOX-DTORHVGOSA-N -1 0 311.338 -0.257 20 0 DBADRM CN1CC(=O)N(CC(=O)NCc2ccnc(C(=O)[O-])c2)C1=O ZINC001598559616 1017302664 /nfs/dbraw/zinc/30/26/64/1017302664.db2.gz YJBWAVPGZDRCPK-UHFFFAOYSA-N -1 0 306.278 -0.710 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])NCC1=O ZINC001598560277 1017303073 /nfs/dbraw/zinc/30/30/73/1017303073.db2.gz QTVXJCLCDZOARH-NEPJUHHUSA-N -1 0 311.382 -0.186 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)/C=C\[C@H]2COC(C)(C)O2)CC1=O ZINC001598561593 1017303691 /nfs/dbraw/zinc/30/36/91/1017303691.db2.gz DYVVMMNMARVGET-YVDHIRPGSA-N -1 0 312.322 -0.552 20 0 DBADRM CN1C[C@@H](C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)CC1=O ZINC001598561150 1017304241 /nfs/dbraw/zinc/30/42/41/1017304241.db2.gz ZKTXJGOTMNPUMI-BFVXHGPNSA-N -1 0 310.350 -0.007 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001450160746 1010650564 /nfs/dbraw/zinc/65/05/64/1010650564.db2.gz ZNHMBHDWABUWJO-VIFPVBQESA-N -1 0 324.362 -0.471 20 0 DBADRM CN1C[C@H](C(=O)Nc2ccc(OCC(=O)[O-])cc2)NCC1=O ZINC001598563463 1017308353 /nfs/dbraw/zinc/30/83/53/1017308353.db2.gz QYWHDNZSJQPNAN-LLVKDONJSA-N -1 0 307.306 -0.481 20 0 DBADRM CN1C[C@H](CCN2C(=O)[C@@H]3CC[C@H](C(=O)[O-])CN3C2=O)CC1=O ZINC001598565400 1017308571 /nfs/dbraw/zinc/30/85/71/1017308571.db2.gz DXXFCIGWRAAJPP-VWYCJHECSA-N -1 0 323.349 -0.018 20 0 DBADRM CC(C)CCC(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001450263705 1010668517 /nfs/dbraw/zinc/66/85/17/1010668517.db2.gz BWWGDQHTOUEKNT-UHFFFAOYSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1ncn(-c2ccccc2)n1 ZINC001450266670 1010672176 /nfs/dbraw/zinc/67/21/76/1010672176.db2.gz HBSLXPXKPGUPPK-UHFFFAOYSA-N -1 0 315.293 -0.414 20 0 DBADRM CN(C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598568137 1017309585 /nfs/dbraw/zinc/30/95/85/1017309585.db2.gz OWZJXPITRJWKEJ-LPEHRKFASA-N -1 0 311.338 -0.955 20 0 DBADRM CN1C[C@H](O)C[C@@H]1c1nnc(N2CC[C@@](F)(C(=O)[O-])C2)n1C ZINC001598569871 1017309629 /nfs/dbraw/zinc/30/96/29/1017309629.db2.gz OCAKKULYGZPMFO-KKFJDGPESA-N -1 0 313.333 -0.444 20 0 DBADRM CCCCC(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001450276350 1010676206 /nfs/dbraw/zinc/67/62/06/1010676206.db2.gz KUEDOXLRYCOVHN-UHFFFAOYSA-N -1 0 308.338 -0.383 20 0 DBADRM CCCCC(=O)N1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001450413386 1010721616 /nfs/dbraw/zinc/72/16/16/1010721616.db2.gz YXJOBAPPQRMWAW-UHFFFAOYSA-N -1 0 323.353 -0.267 20 0 DBADRM CCn1ncn([N-]C(=O)c2cc([C@H]3CCCN3C)[nH]n2)c1=O ZINC001450460627 1010733776 /nfs/dbraw/zinc/73/37/76/1010733776.db2.gz GGHIWVIOUBYMIC-LLVKDONJSA-N -1 0 305.342 -0.062 20 0 DBADRM Cn1[n-]c(C(=O)NC2CCN(C(=O)c3cn[nH]c3)CC2)cc1=O ZINC001450613124 1010772180 /nfs/dbraw/zinc/77/21/80/1010772180.db2.gz SUMQYKSKNVBWRP-UHFFFAOYSA-N -1 0 318.337 -0.117 20 0 DBADRM CN(CCNC(=O)c1cnc2n1CCOC2)Cc1n[nH]c(=O)[n-]1 ZINC001480876461 1010786915 /nfs/dbraw/zinc/78/69/15/1010786915.db2.gz SFLBUCHAPYJIFD-UHFFFAOYSA-N -1 0 321.341 -0.901 20 0 DBADRM CN(CCNC(=O)c1ccc(=O)n(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001480884283 1010789590 /nfs/dbraw/zinc/78/95/90/1010789590.db2.gz GIUBOSNWODOJNZ-UHFFFAOYSA-N -1 0 306.326 -0.929 20 0 DBADRM CC(C)(C)C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001450710886 1010790157 /nfs/dbraw/zinc/79/01/57/1010790157.db2.gz FPQRNVPCBDCQAH-UHFFFAOYSA-N -1 0 309.326 -0.483 20 0 DBADRM Cc1ccncc1CN(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001480886778 1010792144 /nfs/dbraw/zinc/79/21/44/1010792144.db2.gz UKTPSJHKLUDRGI-UHFFFAOYSA-N -1 0 318.337 -0.152 20 0 DBADRM CN(C(=O)C1CC1)[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001450778629 1010798926 /nfs/dbraw/zinc/79/89/26/1010798926.db2.gz HQUCAICKQVFXIT-JTQLQIEISA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001480921743 1010805378 /nfs/dbraw/zinc/80/53/78/1010805378.db2.gz QPVHRUQRCXGKGR-JTQLQIEISA-N -1 0 324.385 -0.683 20 0 DBADRM Cn1cncc1CC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001481065021 1010834448 /nfs/dbraw/zinc/83/44/48/1010834448.db2.gz KGALYVZCDYUYGI-SNVBAGLBSA-N -1 0 319.369 -0.433 20 0 DBADRM CCCN(CCNC(=O)C(C)(C)C(N)=O)Cc1n[nH]c(=O)[n-]1 ZINC001481138508 1010843809 /nfs/dbraw/zinc/84/38/09/1010843809.db2.gz WTUROKTWHCFOHQ-UHFFFAOYSA-N -1 0 312.374 -0.650 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC12CC2 ZINC001451150904 1010858698 /nfs/dbraw/zinc/85/86/98/1010858698.db2.gz HQWYLINXHBNOKF-HTQZYQBOSA-N -1 0 321.337 -0.340 20 0 DBADRM CO[C@H](C)CC(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001481548763 1010905935 /nfs/dbraw/zinc/90/59/35/1010905935.db2.gz IREMJMSBJUBIIL-SNVBAGLBSA-N -1 0 319.365 -0.252 20 0 DBADRM CC[C@H](OC)C(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001451355986 1010907011 /nfs/dbraw/zinc/90/70/11/1010907011.db2.gz TVZTWSSNNYIDLX-BDAKNGLRSA-N -1 0 314.342 -0.944 20 0 DBADRM Cc1nccn1CCCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481589621 1010924642 /nfs/dbraw/zinc/92/46/42/1010924642.db2.gz ZQDQGZFDLJGICF-UHFFFAOYSA-N -1 0 319.369 -0.204 20 0 DBADRM Cc1ncc(CN2CC(CNC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001481657301 1010954921 /nfs/dbraw/zinc/95/49/21/1010954921.db2.gz TUHWKQLYXDGNHZ-UHFFFAOYSA-N -1 0 322.325 -0.766 20 0 DBADRM O=C(N[C@H](CO)[C@H]1CCCOC1)c1c[n-]n2c1nccc2=O ZINC001451455721 1010957337 /nfs/dbraw/zinc/95/73/37/1010957337.db2.gz YZRWMLLCSVQCCT-GXSJLCMTSA-N -1 0 306.322 -0.460 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481712648 1010976240 /nfs/dbraw/zinc/97/62/40/1010976240.db2.gz GYEHIQTYIMNLCR-PSASIEDQSA-N -1 0 310.358 -0.932 20 0 DBADRM CCC(=O)NCC(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481721531 1010978610 /nfs/dbraw/zinc/97/86/10/1010978610.db2.gz QYFGYUGIBFGXFF-SECBINFHSA-N -1 0 310.358 -0.931 20 0 DBADRM CCC(=O)NCC(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481721535 1010978647 /nfs/dbraw/zinc/97/86/47/1010978647.db2.gz QYFGYUGIBFGXFF-VIFPVBQESA-N -1 0 310.358 -0.931 20 0 DBADRM CC[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)NC ZINC001451576026 1011002759 /nfs/dbraw/zinc/00/27/59/1011002759.db2.gz PFPJYNIJSUSNQR-MRVPVSSYSA-N -1 0 305.294 -0.310 20 0 DBADRM CON(C)C(=O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC001451705728 1011027474 /nfs/dbraw/zinc/02/74/74/1011027474.db2.gz BZARSMUXORXZBV-UHFFFAOYSA-N -1 0 321.293 -0.506 20 0 DBADRM COCC(=O)NCCC(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001452152134 1011117191 /nfs/dbraw/zinc/11/71/91/1011117191.db2.gz POTOHRILDRIKSJ-SNVBAGLBSA-N -1 0 314.342 -0.281 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC23CCC3)c1[O-] ZINC001452319562 1011193478 /nfs/dbraw/zinc/19/34/78/1011193478.db2.gz ZPISFSVQBNTOCZ-ZJUUUORDSA-N -1 0 322.365 -0.179 20 0 DBADRM CC(C)C(=O)N[C@@H](C)C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001452360637 1011225879 /nfs/dbraw/zinc/22/58/79/1011225879.db2.gz SSGBFBGCRVFJMT-IUCAKERBSA-N -1 0 313.358 -0.255 20 0 DBADRM CCCC(=O)N[C@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001452417072 1011259508 /nfs/dbraw/zinc/25/95/08/1011259508.db2.gz XRZHMSVFBGHVKV-SECBINFHSA-N -1 0 320.353 -0.508 20 0 DBADRM Cc1cn2nc(C(=O)NCc3nnc([O-])n3C)cc2c(=O)[nH]1 ZINC001452473943 1011277582 /nfs/dbraw/zinc/27/75/82/1011277582.db2.gz SBFFCUPAEOEKDN-UHFFFAOYSA-N -1 0 303.282 -0.905 20 0 DBADRM Cc1cncn1CC(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001452490748 1011283639 /nfs/dbraw/zinc/28/36/39/1011283639.db2.gz RVVKHYIBNBEWGD-MRVPVSSYSA-N -1 0 320.353 -0.137 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@]2(C(N)=O)CCOC2)cc1=O ZINC001452497867 1011286461 /nfs/dbraw/zinc/28/64/61/1011286461.db2.gz WBAMRUIBKUKIFJ-AWEZNQCLSA-N -1 0 310.354 -0.865 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)c1c[n-]n2c1nccc2=O ZINC001452528156 1011295490 /nfs/dbraw/zinc/29/54/90/1011295490.db2.gz AIHJQIZTFJRBJJ-UHFFFAOYSA-N -1 0 315.289 -0.643 20 0 DBADRM CSC[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001452752554 1011381649 /nfs/dbraw/zinc/38/16/49/1011381649.db2.gz FCUSDNLHRRTPAD-QNSHHTMESA-N -1 0 313.383 -0.895 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCC[C@@]1(O)CCCOC1 ZINC001452758954 1011391195 /nfs/dbraw/zinc/39/11/95/1011391195.db2.gz OPABSZAOHATCDG-ZDUSSCGKSA-N -1 0 314.342 -0.483 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC1=O ZINC001598567625 1017310674 /nfs/dbraw/zinc/31/06/74/1017310674.db2.gz ILJNNDINYGPUAY-WMFXKJRFSA-N -1 0 323.349 -0.811 20 0 DBADRM CN1CC[C@H](C(=O)OCc2noc(CCC(=O)[O-])n2)CC1=O ZINC001598579880 1017317199 /nfs/dbraw/zinc/31/71/99/1017317199.db2.gz YJPMIEBLGUPGPY-QMMMGPOBSA-N -1 0 311.294 -0.002 20 0 DBADRM CN1CC[C@H](C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)C1=O ZINC001598579053 1017318276 /nfs/dbraw/zinc/31/82/76/1017318276.db2.gz SUHUZEZEPDGDNM-VIFPVBQESA-N -1 0 309.322 -0.313 20 0 DBADRM CN1CC[C@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1=O ZINC001598585287 1017320717 /nfs/dbraw/zinc/32/07/17/1017320717.db2.gz FKLSGPHGTKNIFS-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1CC[C@H](CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1=O ZINC001598584013 1017321405 /nfs/dbraw/zinc/32/14/05/1017321405.db2.gz MMFSZUWTQCGAOC-ZETCQYMHSA-N -1 0 316.339 -0.745 20 0 DBADRM CC(C)[C@H](F)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001452938494 1011470039 /nfs/dbraw/zinc/47/00/39/1011470039.db2.gz JLIVJWKNRPATCJ-BQBZGAKWSA-N -1 0 315.305 -0.489 20 0 DBADRM CC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001453017718 1011493015 /nfs/dbraw/zinc/49/30/15/1011493015.db2.gz OTCKIDQVDUBBPM-NXEZZACHSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3cnccn3)CC2)c1[O-] ZINC001453355944 1011632633 /nfs/dbraw/zinc/63/26/33/1011632633.db2.gz GUQUYSXWXPEJBB-UHFFFAOYSA-N -1 0 316.321 -0.094 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001483061416 1011656910 /nfs/dbraw/zinc/65/69/10/1011656910.db2.gz IAJAGDYDPFCAFI-UFHBDADESA-N -1 0 307.354 -0.160 20 0 DBADRM COCc1nocc1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001483082639 1011670624 /nfs/dbraw/zinc/67/06/24/1011670624.db2.gz TZDSQIUGMKOHPM-IHWYPQMZSA-N -1 0 322.325 -0.280 20 0 DBADRM CC[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001453985652 1011844940 /nfs/dbraw/zinc/84/49/40/1011844940.db2.gz FWDHZVYALYNPJA-UWVGGRQHSA-N -1 0 322.365 -0.137 20 0 DBADRM CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001454048369 1011851856 /nfs/dbraw/zinc/85/18/56/1011851856.db2.gz PYAONJOVJHCUFR-SDBXPKJASA-N -1 0 312.326 -0.073 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001483385941 1011862007 /nfs/dbraw/zinc/86/20/07/1011862007.db2.gz ZLPMHVSIPSODMQ-DTWKUNHWSA-N -1 0 301.347 -0.892 20 0 DBADRM CCC(=O)NC[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001454098053 1011866651 /nfs/dbraw/zinc/86/66/51/1011866651.db2.gz BIISMOQPBUDXMS-SNVBAGLBSA-N -1 0 308.338 -0.480 20 0 DBADRM CN(C(=O)c1cnn2c1[nH]c(=O)c1ccccc12)c1nnn[n-]1 ZINC001454168548 1011879789 /nfs/dbraw/zinc/87/97/89/1011879789.db2.gz GXURXNVKADMDJQ-UHFFFAOYSA-N -1 0 310.277 -0.035 20 0 DBADRM Cc1c(C(=O)N(C)c2nnn[n-]2)cnn1-c1ccc(=O)[nH]n1 ZINC001454173876 1011881574 /nfs/dbraw/zinc/88/15/74/1011881574.db2.gz POWNKXXXVUJOKR-UHFFFAOYSA-N -1 0 301.270 -0.534 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC001454255994 1011892753 /nfs/dbraw/zinc/89/27/53/1011892753.db2.gz RYRFXYCFMNUFSS-ZYHUDNBSSA-N -1 0 319.321 -0.281 20 0 DBADRM CCCC(=O)N1CC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001454253703 1011893722 /nfs/dbraw/zinc/89/37/22/1011893722.db2.gz BNQSIOUFTPHCRO-VIFPVBQESA-N -1 0 323.353 -0.267 20 0 DBADRM O=C(N[C@@H](CO)Cc1cncs1)c1c[n-]n2c1nccc2=O ZINC001454313922 1011920429 /nfs/dbraw/zinc/92/04/29/1011920429.db2.gz ZACFUADNRZZAEG-MRVPVSSYSA-N -1 0 319.346 -0.188 20 0 DBADRM CCCN([C@@H]1CC(=O)N(C)C1=O)S(=O)(=O)CCCC(=O)[O-] ZINC001595839591 1017101095 /nfs/dbraw/zinc/10/10/95/1017101095.db2.gz KGSVNSIXKRYDST-SECBINFHSA-N -1 0 320.367 -0.350 20 0 DBADRM CCCN(C(=O)Cn1cc(C(=O)[O-])cn1)[C@H]1CC(=O)N(C)C1=O ZINC001595821077 1017101785 /nfs/dbraw/zinc/10/17/85/1017101785.db2.gz JGOLXAXQPIFQML-JTQLQIEISA-N -1 0 322.321 -0.423 20 0 DBADRM CCCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])CC(=O)N1CCC1 ZINC001595880429 1017103378 /nfs/dbraw/zinc/10/33/78/1017103378.db2.gz WAZWNKGBVZNVEY-NWDGAFQWSA-N -1 0 311.382 -0.232 20 0 DBADRM CCCN(CCO)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001595882313 1017103778 /nfs/dbraw/zinc/10/37/78/1017103778.db2.gz FUPYONZKVJENFL-MNOVXSKESA-N -1 0 300.355 -0.214 20 0 DBADRM CCCN(CCNC(=O)CNC(C)=O)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001595882363 1017104033 /nfs/dbraw/zinc/10/40/33/1017104033.db2.gz HKZAAZQINIYPMR-QWRGUYRKSA-N -1 0 313.354 -0.802 20 0 DBADRM CCCN(CCNC(=O)c1cn[nH]n1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001595883182 1017104536 /nfs/dbraw/zinc/10/45/36/1017104536.db2.gz UCEODEBANUCALI-DTWKUNHWSA-N -1 0 309.326 -0.506 20 0 DBADRM O=C(CCOCC(F)F)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001483651725 1012013254 /nfs/dbraw/zinc/01/32/54/1012013254.db2.gz XVNDJOFMBDHUAH-QMMMGPOBSA-N -1 0 319.312 -0.127 20 0 DBADRM CCCN1C[C@H](C(=O)OCC(=O)NCCC(=O)[O-])CC1=O ZINC001595897328 1017107198 /nfs/dbraw/zinc/10/71/98/1017107198.db2.gz YZCIDHXXCFSNCM-SECBINFHSA-N -1 0 300.311 -0.621 20 0 DBADRM CCCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595921433 1017107939 /nfs/dbraw/zinc/10/79/39/1017107939.db2.gz GRGCADKFVPAUSS-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM O=Cc1ccc(OCC(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1 ZINC001454553358 1012032467 /nfs/dbraw/zinc/03/24/67/1012032467.db2.gz LSVSDKKIABDZAT-GFCCVEGCSA-N -1 0 317.305 -0.009 20 0 DBADRM O=C(c1cc2n(n1)CCCC2=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454552540 1012033190 /nfs/dbraw/zinc/03/31/90/1012033190.db2.gz GLCQOSAPEJQKGL-JTQLQIEISA-N -1 0 317.309 -0.414 20 0 DBADRM O=C(c1cc2n(n1)CCCC2=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454552546 1012035112 /nfs/dbraw/zinc/03/51/12/1012035112.db2.gz GLCQOSAPEJQKGL-SNVBAGLBSA-N -1 0 317.309 -0.414 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC[C@@H](O)C(F)F ZINC001454613643 1012068127 /nfs/dbraw/zinc/06/81/27/1012068127.db2.gz CODCFCDYAYTJHT-SSDOTTSWSA-N -1 0 301.253 -0.797 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)[C@@H]1C[C@@]12CCOC2 ZINC001483782538 1012139745 /nfs/dbraw/zinc/13/97/45/1012139745.db2.gz KFVJTDFYCWUVGD-TVQRCGJNSA-N -1 0 307.354 -0.325 20 0 DBADRM O=C(CCn1cnccc1=O)N1CCC(c2nnn[n-]2)CC1 ZINC001455016237 1012188928 /nfs/dbraw/zinc/18/89/28/1012188928.db2.gz AEPCPIMCRHUBQX-UHFFFAOYSA-N -1 0 303.326 -0.447 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)nc1Cl ZINC001455128598 1012224574 /nfs/dbraw/zinc/22/45/74/1012224574.db2.gz BQHOWUGYJVKSSO-LURJTMIESA-N -1 0 321.728 -0.023 20 0 DBADRM O=C(c1ccc(-n2cncn2)nc1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001455128780 1012226834 /nfs/dbraw/zinc/22/68/34/1012226834.db2.gz CDONFFGWEVTVEB-SNVBAGLBSA-N -1 0 311.309 -0.195 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)cn1 ZINC001455132657 1012228197 /nfs/dbraw/zinc/22/81/97/1012228197.db2.gz ODIZIKNFZXKWJF-VIFPVBQESA-N -1 0 322.350 -0.372 20 0 DBADRM O=C(CS(=O)(=O)C1CCCC1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001455130766 1012228976 /nfs/dbraw/zinc/22/89/76/1012228976.db2.gz HZZSBQGUQZPZJY-VIFPVBQESA-N -1 0 313.383 -0.127 20 0 DBADRM O=C(CNC(=O)c1ccccc1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001455135224 1012230533 /nfs/dbraw/zinc/23/05/33/1012230533.db2.gz UOHRYZJZWORYJR-LLVKDONJSA-N -1 0 300.322 -0.054 20 0 DBADRM Cc1ncn(C)c1C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001455211531 1012277347 /nfs/dbraw/zinc/27/73/47/1012277347.db2.gz RALFNMZQTYJDBL-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)CCn2ccnc2)c1[O-] ZINC001455209454 1012277717 /nfs/dbraw/zinc/27/77/17/1012277717.db2.gz OJESMLOMIODRRC-UHFFFAOYSA-N -1 0 320.353 -0.101 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)c1cnn(C[C@H](O)CO)c1 ZINC001455325277 1012339598 /nfs/dbraw/zinc/33/95/98/1012339598.db2.gz WXYKKGKWBRRYNJ-NSHDSACASA-N -1 0 323.357 -0.952 20 0 DBADRM CCC[C@H](C(=O)N(Cc1nnn[n-]1)CC(C)C)S(N)(=O)=O ZINC001455322862 1012340210 /nfs/dbraw/zinc/34/02/10/1012340210.db2.gz OMSVXKGMHJTWGB-SECBINFHSA-N -1 0 318.403 -0.359 20 0 DBADRM CC1(Cn2cc(C(=O)NC3(c4nnn[n-]4)CCC3)nn2)COC1 ZINC001455352898 1012355909 /nfs/dbraw/zinc/35/59/09/1012355909.db2.gz YETOZWNVLGSTKT-UHFFFAOYSA-N -1 0 318.341 -0.363 20 0 DBADRM CC(C)CCC(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484201792 1012359643 /nfs/dbraw/zinc/35/96/43/1012359643.db2.gz KSFSYAFDNAGAIO-AWEZNQCLSA-N -1 0 311.386 -0.001 20 0 DBADRM CCC(=O)N(C)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001455399435 1012381071 /nfs/dbraw/zinc/38/10/71/1012381071.db2.gz SYBHIIZJJJLDQK-UHFFFAOYSA-N -1 0 306.326 -0.944 20 0 DBADRM Cc1cc[nH]c1C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484215325 1012393385 /nfs/dbraw/zinc/39/33/85/1012393385.db2.gz FIKMQMKFOUZGBE-AWEZNQCLSA-N -1 0 320.353 -0.486 20 0 DBADRM NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1nnn[n-]1 ZINC001455490349 1012418008 /nfs/dbraw/zinc/41/80/08/1012418008.db2.gz IDONHZDKMOHMBP-NSHDSACASA-N -1 0 300.322 -0.429 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccc1F ZINC001484255491 1012469613 /nfs/dbraw/zinc/46/96/13/1012469613.db2.gz JKMUBTCOZDJHCR-UHFFFAOYSA-N -1 0 321.312 -0.374 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001455742930 1012502298 /nfs/dbraw/zinc/50/22/98/1012502298.db2.gz KYNRTMDSAXNIDV-DCAQKATOSA-N -1 0 306.370 -0.105 20 0 DBADRM Cc1cc(C)c(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001484279265 1012514237 /nfs/dbraw/zinc/51/42/37/1012514237.db2.gz DDHHNBQOSJNKKQ-UHFFFAOYSA-N -1 0 320.353 -0.568 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC(=O)c1cc(F)cc(F)c1 ZINC001456199042 1012572691 /nfs/dbraw/zinc/57/26/91/1012572691.db2.gz TZPSWGSTJJUTAF-UHFFFAOYSA-N -1 0 312.232 -0.033 20 0 DBADRM CCC[C@@H](C)C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001456248791 1012603830 /nfs/dbraw/zinc/60/38/30/1012603830.db2.gz LLEZWJXFBKOAGY-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cc(S(N)(=O)=O)cc(F)c1C ZINC001456586183 1012766329 /nfs/dbraw/zinc/76/63/29/1012766329.db2.gz CPBQXRPRNFHBQO-UHFFFAOYSA-N -1 0 319.314 -0.811 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)NCC(=O)[N-]OC)c1 ZINC001456598469 1012769647 /nfs/dbraw/zinc/76/96/47/1012769647.db2.gz RCONNHJNDUQHGL-UHFFFAOYSA-N -1 0 301.324 -0.998 20 0 DBADRM CO[N-]C(=O)CNC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC001456597461 1012770429 /nfs/dbraw/zinc/77/04/29/1012770429.db2.gz PSLOOISIJNRPFY-VIFPVBQESA-N -1 0 319.321 -0.881 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c1nn(C)cc1[O-] ZINC001456779780 1012813918 /nfs/dbraw/zinc/81/39/18/1012813918.db2.gz CZJBNPUKUHTKLL-HTQZYQBOSA-N -1 0 304.372 -0.369 20 0 DBADRM C[C@H](NC(=O)C1(CS(C)(=O)=O)COC1)c1nn(C)cc1[O-] ZINC001456791615 1012817026 /nfs/dbraw/zinc/81/70/26/1012817026.db2.gz UZLLHGDYNSPLRN-QMMMGPOBSA-N -1 0 317.367 -0.636 20 0 DBADRM Cc1nnc(CNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)[nH]1 ZINC001456829920 1012823076 /nfs/dbraw/zinc/82/30/76/1012823076.db2.gz DETMZOGYBWGEGO-UHFFFAOYSA-N -1 0 310.339 -0.190 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1CC12CC2 ZINC001456870360 1012826781 /nfs/dbraw/zinc/82/67/81/1012826781.db2.gz AFTCUAJNULJJGQ-BDAKNGLRSA-N -1 0 323.353 -0.500 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001456880079 1012827623 /nfs/dbraw/zinc/82/76/23/1012827623.db2.gz KFYRZZQZTCIEMK-IUCAKERBSA-N -1 0 323.353 -0.673 20 0 DBADRM CCC(=O)NC[C@H](C)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001457246014 1012856763 /nfs/dbraw/zinc/85/67/63/1012856763.db2.gz PGRXMVDXGRSEKS-VIFPVBQESA-N -1 0 313.358 -0.252 20 0 DBADRM C[C@H](CNC(=O)CC1CC1)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001457248395 1012857211 /nfs/dbraw/zinc/85/72/11/1012857211.db2.gz OIFNJJOTVUQKHC-MRVPVSSYSA-N -1 0 311.342 -0.642 20 0 DBADRM CCOCC(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001484788831 1012858213 /nfs/dbraw/zinc/85/82/13/1012858213.db2.gz GMUSUMOZWOLFCH-VIFPVBQESA-N -1 0 311.342 -0.994 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001484796424 1012861695 /nfs/dbraw/zinc/86/16/95/1012861695.db2.gz VKQXBKPWEIJCNW-BNFOFFDWSA-N -1 0 307.354 -0.064 20 0 DBADRM C/C=C(/C)C(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001484796426 1012863051 /nfs/dbraw/zinc/86/30/51/1012863051.db2.gz VKQXBKPWEIJCNW-KSXVILFYSA-N -1 0 307.354 -0.064 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)c2ncc[nH]2)c1[O-] ZINC001457310419 1012870531 /nfs/dbraw/zinc/87/05/31/1012870531.db2.gz OLUVCUWWMXFMHG-SSDOTTSWSA-N -1 0 306.326 -0.057 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NCc2nncn2C)c1[O-] ZINC001485138815 1013017743 /nfs/dbraw/zinc/01/77/43/1013017743.db2.gz IFWPIDNUCVFEAB-HTQZYQBOSA-N -1 0 307.358 -0.151 20 0 DBADRM CCCc1nnc(SCC(=O)N[C@H](CCF)C(=O)[O-])n1N ZINC001596095002 1017112957 /nfs/dbraw/zinc/11/29/57/1017112957.db2.gz DCQMNSGQFOKXPW-SSDOTTSWSA-N -1 0 319.362 -0.035 20 0 DBADRM CCCc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])[nH]n1 ZINC001596053741 1017113428 /nfs/dbraw/zinc/11/34/28/1017113428.db2.gz WSMNHPRKNHXENZ-SNVBAGLBSA-N -1 0 315.351 -0.314 20 0 DBADRM CCCn1c(C)nnc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001596108793 1017113660 /nfs/dbraw/zinc/11/36/60/1017113660.db2.gz PPPTWLLBEXJQAP-SNVBAGLBSA-N -1 0 316.383 -0.320 20 0 DBADRM CCCn1cc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cn1 ZINC001596116707 1017114734 /nfs/dbraw/zinc/11/47/34/1017114734.db2.gz NMQSQSNEAJWTDV-KOLCDFICSA-N -1 0 324.337 -0.474 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001596180491 1017116314 /nfs/dbraw/zinc/11/63/14/1017116314.db2.gz BFEKQWYDKHNFCO-MRVPVSSYSA-N -1 0 324.337 -0.057 20 0 DBADRM CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001596180933 1017117997 /nfs/dbraw/zinc/11/79/97/1017117997.db2.gz IVORATPKWNQWPP-QMMMGPOBSA-N -1 0 317.367 -0.132 20 0 DBADRM CCN(C)C(=O)CNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001596183212 1017118234 /nfs/dbraw/zinc/11/82/34/1017118234.db2.gz HQJAFCRBVNVQCQ-SECBINFHSA-N -1 0 324.341 -0.589 20 0 DBADRM CCN(C)C(=O)CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001596182827 1017118258 /nfs/dbraw/zinc/11/82/58/1017118258.db2.gz RQCUCNSSWUMKCF-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM CCN(C(=O)c1cnc(C(=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC001596172902 1017118281 /nfs/dbraw/zinc/11/82/81/1017118281.db2.gz KKZIHTVGUXCMEO-QMMMGPOBSA-N -1 0 313.335 -0.176 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001596212912 1017119463 /nfs/dbraw/zinc/11/94/63/1017119463.db2.gz VWIYVLSLVSJPLQ-NWDGAFQWSA-N -1 0 307.306 -0.110 20 0 DBADRM CCN(CC(=O)[O-])C(=O)c1nnn(Cc2noc(C)n2)c1C ZINC001596222119 1017119600 /nfs/dbraw/zinc/11/96/00/1017119600.db2.gz HNXUYPCFSUJZDK-UHFFFAOYSA-N -1 0 308.298 -0.127 20 0 DBADRM CCN(C)S(=O)(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001596194646 1017120494 /nfs/dbraw/zinc/12/04/94/1017120494.db2.gz RTRQNTDCLOQYNG-MRVPVSSYSA-N -1 0 303.344 -0.580 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC001596216313 1017120851 /nfs/dbraw/zinc/12/08/51/1017120851.db2.gz VOGZRBKPTQJPDQ-UONOGXRCSA-N -1 0 321.333 -0.087 20 0 DBADRM CCN([C@H]1CCNC1=O)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001596197216 1017121091 /nfs/dbraw/zinc/12/10/91/1017121091.db2.gz TXNCABAYOHECRL-JTQLQIEISA-N -1 0 313.335 -0.321 20 0 DBADRM CCN(CC)S(=O)(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001596283847 1017124206 /nfs/dbraw/zinc/12/42/06/1017124206.db2.gz TXIYWTXDPBNLOG-VIFPVBQESA-N -1 0 317.371 -0.190 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC001596328160 1017128514 /nfs/dbraw/zinc/12/85/14/1017128514.db2.gz NTWANGXLDPTJRO-AOOOYVTPSA-N -1 0 306.384 -0.115 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)CN(C)C(C)=O ZINC001596333349 1017128560 /nfs/dbraw/zinc/12/85/60/1017128560.db2.gz QLANLNUNPPDBBN-QWRGUYRKSA-N -1 0 313.354 -0.850 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)CN(C)C(C)=O ZINC001596333348 1017129019 /nfs/dbraw/zinc/12/90/19/1017129019.db2.gz QLANLNUNPPDBBN-MNOVXSKESA-N -1 0 313.354 -0.850 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cc(C)nc(CO)n1 ZINC001596333363 1017129091 /nfs/dbraw/zinc/12/90/91/1017129091.db2.gz QRRLZHBXYJGALY-MNOVXSKESA-N -1 0 322.365 -0.059 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1cnnn1CC ZINC001596331495 1017129205 /nfs/dbraw/zinc/12/92/05/1017129205.db2.gz BGOMOYPWZAGPNC-ZJUUUORDSA-N -1 0 323.353 -0.403 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1cn(C)cn1 ZINC001596332554 1017129357 /nfs/dbraw/zinc/12/93/57/1017129357.db2.gz JSQUEEMUUSZQOH-NXEZZACHSA-N -1 0 308.338 -0.281 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)Cn1nccn1 ZINC001596327258 1017129419 /nfs/dbraw/zinc/12/94/19/1017129419.db2.gz VWQCQLAZSFCXQS-QWRGUYRKSA-N -1 0 323.353 -0.646 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)Cc1[nH]cnc1C ZINC001596332692 1017129451 /nfs/dbraw/zinc/12/94/51/1017129451.db2.gz KXFTZFCAPWJWFW-QWRGUYRKSA-N -1 0 322.365 -0.054 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1cnnn1C ZINC001596331727 1017129551 /nfs/dbraw/zinc/12/95/51/1017129551.db2.gz DCDNHULMQGKQDM-DTWKUNHWSA-N -1 0 309.326 -0.886 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)Cc1cncn1C ZINC001596332946 1017129694 /nfs/dbraw/zinc/12/96/94/1017129694.db2.gz MWTMRHZKFYUNOC-NWDGAFQWSA-N -1 0 322.365 -0.352 20 0 DBADRM CCN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1cnccn1 ZINC001596339695 1017130600 /nfs/dbraw/zinc/13/06/00/1017130600.db2.gz ODRFBDPVJDQQOB-UHFFFAOYSA-N -1 0 316.321 -0.039 20 0 DBADRM CCN(CCNC(=O)[C@H]1CCC(=O)N1)c1ccnc(C(=O)[O-])n1 ZINC001596335344 1017131234 /nfs/dbraw/zinc/13/12/34/1017131234.db2.gz MTBDQYWIHYZCJV-SECBINFHSA-N -1 0 321.337 -0.604 20 0 DBADRM CCN(CCNC(=O)CN(C)C(C)=O)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596333651 1017131306 /nfs/dbraw/zinc/13/13/06/1017131306.db2.gz UTZSGIJRXUKFSU-WDEREUQCSA-N -1 0 313.354 -0.850 20 0 DBADRM CCN(CCNC(=O)c1cnnn1C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596335365 1017131433 /nfs/dbraw/zinc/13/14/33/1017131433.db2.gz NEJKCHDBOYLHKX-RKDXNWHRSA-N -1 0 309.326 -0.886 20 0 DBADRM CCN(CCNC(=O)c1cncnc1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596335585 1017131552 /nfs/dbraw/zinc/13/15/52/1017131552.db2.gz SRVBXSHLLGFQOX-GHMZBOCLSA-N -1 0 306.322 -0.224 20 0 DBADRM CCN(CCNCc1ncnn1CC)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596339664 1017131673 /nfs/dbraw/zinc/13/16/73/1017131673.db2.gz NYVUYTMNMFWDOT-GHMZBOCLSA-N -1 0 309.370 -0.043 20 0 DBADRM CCN(CCNC(=O)Cc1cnoc1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596334367 1017131714 /nfs/dbraw/zinc/13/17/14/1017131714.db2.gz FWOZEOHOMRPCKF-GHMZBOCLSA-N -1 0 309.322 -0.098 20 0 DBADRM CCN(CCNC(=O)c1ncn(C)n1)c1ncc(C(=O)[O-])cn1 ZINC001596335170 1017131807 /nfs/dbraw/zinc/13/18/07/1017131807.db2.gz KGKHJQFXSJZFEW-UHFFFAOYSA-N -1 0 319.325 -0.440 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)c1ccnc(C(=O)[O-])n1 ZINC001596335540 1017131822 /nfs/dbraw/zinc/13/18/22/1017131822.db2.gz SETBFYXAPUZYAP-BDAKNGLRSA-N -1 0 321.337 -0.761 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001596384217 1017134264 /nfs/dbraw/zinc/13/42/64/1017134264.db2.gz NNGTZXINVPUERS-UHFFFAOYSA-N -1 0 308.356 -0.429 20 0 DBADRM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001596341164 1017134523 /nfs/dbraw/zinc/13/45/23/1017134523.db2.gz RUYATUMJGXTFBH-ZJUUUORDSA-N -1 0 321.337 -0.443 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001596383742 1017134788 /nfs/dbraw/zinc/13/47/88/1017134788.db2.gz FUQGJZVMKMUHCH-VHSXEESVSA-N -1 0 322.383 -0.041 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)c3cc(C(=O)[O-])on3)CCN2C1=O ZINC001596390015 1017134952 /nfs/dbraw/zinc/13/49/52/1017134952.db2.gz PVVHLBGASKWNEB-MRVPVSSYSA-N -1 0 322.277 -0.519 20 0 DBADRM CCN1C[C@@H](c2nnc(N3CCO[C@H](C(=O)[O-])C3)n2C)CC1=O ZINC001596402209 1017135923 /nfs/dbraw/zinc/13/59/23/1017135923.db2.gz KQMVGSWHVCWQKH-UWVGGRQHSA-N -1 0 323.353 -0.559 20 0 DBADRM CCN1C[C@@H](NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CC1=O ZINC001596397499 1017136123 /nfs/dbraw/zinc/13/61/23/1017136123.db2.gz JHINIHZNHZWDJZ-CMPLNLGQSA-N -1 0 313.354 -0.526 20 0 DBADRM CCN1C[C@@H](C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CC1=O ZINC001596394535 1017136558 /nfs/dbraw/zinc/13/65/58/1017136558.db2.gz KCDXYVMSNLEIIP-UWVGGRQHSA-N -1 0 314.338 -0.423 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1=O ZINC001596402544 1017136569 /nfs/dbraw/zinc/13/65/69/1017136569.db2.gz OLUDKQPIFRJFIK-VWYCJHECSA-N -1 0 318.395 -0.020 20 0 DBADRM CCN1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C[C@H]1C ZINC001596396280 1017137111 /nfs/dbraw/zinc/13/71/11/1017137111.db2.gz QOHCUBJFWBXOHU-RHYQMDGZSA-N -1 0 311.382 -0.236 20 0 DBADRM CCN1C[C@@H](CN2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)CC1=O ZINC001596396094 1017137372 /nfs/dbraw/zinc/13/73/72/1017137372.db2.gz NQKXSWZKCCKGPG-YSSBGUOXSA-N -1 0 309.322 -0.504 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)CC1=O ZINC001596403154 1017139313 /nfs/dbraw/zinc/13/93/13/1017139313.db2.gz VNAXQOREVWBOIB-MPXOCVNLSA-N -1 0 316.379 -0.220 20 0 DBADRM CCN1CC[C@@H]1CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001596415277 1017140911 /nfs/dbraw/zinc/14/09/11/1017140911.db2.gz NORDTPOAYHDGGO-SNVBAGLBSA-N -1 0 308.338 -0.128 20 0 DBADRM CCN1CCN(C(=O)[C@@H](C)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1 ZINC001596427564 1017144142 /nfs/dbraw/zinc/14/41/42/1017144142.db2.gz HKLOXPMKYZIADK-UPJWGTAASA-N -1 0 313.398 -0.287 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1 ZINC001596427593 1017144336 /nfs/dbraw/zinc/14/43/36/1017144336.db2.gz IOQBBNQTILAGOW-LRDDRELGSA-N -1 0 323.393 -0.136 20 0 DBADRM CCN1CCO[C@H](C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001596442714 1017145880 /nfs/dbraw/zinc/14/58/80/1017145880.db2.gz PBZYFKKGLIZYIU-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM CCN1CCO[C@@H](C(=O)N(CCC(=O)[O-])CC(OC)OC)C1 ZINC001596442700 1017146354 /nfs/dbraw/zinc/14/63/54/1017146354.db2.gz OXAOEELUZVCSJG-LLVKDONJSA-N -1 0 318.370 -0.371 20 0 DBADRM CCN1CCO[C@H](C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001596442474 1017146383 /nfs/dbraw/zinc/14/63/83/1017146383.db2.gz LWAFZYZFOABNKQ-STQMWFEESA-N -1 0 307.350 -0.086 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001596442936 1017147560 /nfs/dbraw/zinc/14/75/60/1017147560.db2.gz WWKZFIBNCMMJMZ-QJPTWQEYSA-N -1 0 300.355 -0.154 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001596441928 1017147591 /nfs/dbraw/zinc/14/75/91/1017147591.db2.gz ATGWRSNVFARRPM-WDEREUQCSA-N -1 0 316.354 -0.570 20 0 DBADRM CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001596455951 1017148699 /nfs/dbraw/zinc/14/86/99/1017148699.db2.gz DBWVKDZZHMMQKE-MGCOHNPYSA-N -1 0 321.337 -0.240 20 0 DBADRM CCNC(=O)CC(=O)N(C)[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001596455945 1017148882 /nfs/dbraw/zinc/14/88/82/1017148882.db2.gz CZLRAWGSMVNQNM-VIFPVBQESA-N -1 0 323.353 -0.618 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001596450439 1017149070 /nfs/dbraw/zinc/14/90/70/1017149070.db2.gz CDBYLHHLAYRLHX-UWVGGRQHSA-N -1 0 315.370 -0.374 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001596450624 1017149159 /nfs/dbraw/zinc/14/91/59/1017149159.db2.gz MOZNYOPZPJVWGB-UHFFFAOYSA-N -1 0 323.349 -0.175 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001596451875 1017149604 /nfs/dbraw/zinc/14/96/04/1017149604.db2.gz LJHUNRVKSMIIDN-ZETCQYMHSA-N -1 0 310.310 -0.399 20 0 DBADRM CCNC(=O)CC(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001596456704 1017149694 /nfs/dbraw/zinc/14/96/94/1017149694.db2.gz ZBSQFRPJLHETPB-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM CCN1CN(S(=O)(=O)c2scnc2C(=O)[O-])CC1=O ZINC001596449922 1017149899 /nfs/dbraw/zinc/14/98/99/1017149899.db2.gz PKPKUOAKGUPLFZ-UHFFFAOYSA-N -1 0 305.337 -0.348 20 0 DBADRM CCNC(=O)CC(=O)N(C)C[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001596456329 1017150355 /nfs/dbraw/zinc/15/03/55/1017150355.db2.gz KUTNTLNLOXQFGU-VIFPVBQESA-N -1 0 323.353 -0.040 20 0 DBADRM CCNC(=O)c1ccc(NCCC(=O)NCCC(=O)[O-])nn1 ZINC001596483302 1017151591 /nfs/dbraw/zinc/15/15/91/1017151591.db2.gz IBLYMWSVRVLJEP-UHFFFAOYSA-N -1 0 309.326 -0.381 20 0 DBADRM CCNC(=O)OC[C@@H]1CCCCN1CC(=O)NCC(=O)[O-] ZINC001596473559 1017152736 /nfs/dbraw/zinc/15/27/36/1017152736.db2.gz XQIWUZHVGCYVHP-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM CCNC(=O)CN1CC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])CC2 ZINC001596461772 1017152756 /nfs/dbraw/zinc/15/27/56/1017152756.db2.gz JQPLIRZMKJHSBL-NWDGAFQWSA-N -1 0 323.393 -0.232 20 0 DBADRM CCOC(=O)[C@@H](C(=O)NCCC(=O)NCCC(=O)[O-])C(C)C ZINC001596510681 1017155447 /nfs/dbraw/zinc/15/54/47/1017155447.db2.gz QNSHWIYNYWXBHB-GFCCVEGCSA-N -1 0 316.354 -0.081 20 0 DBADRM CCOC(=O)[C@@H](CSC)NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001596533935 1017157341 /nfs/dbraw/zinc/15/73/41/1017157341.db2.gz DAKUPFYZTLGGCB-HTQZYQBOSA-N -1 0 313.397 -0.079 20 0 DBADRM CCOC(=O)C1(C(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)CC1 ZINC001596542364 1017157556 /nfs/dbraw/zinc/15/75/56/1017157556.db2.gz ATLUKMKBPRZLMR-IUCAKERBSA-N -1 0 313.306 -0.338 20 0 DBADRM CCOC(=O)[C@@H]1CN([C@H](CCC(=O)OC)C(=O)[O-])CCO1 ZINC001596585064 1017159811 /nfs/dbraw/zinc/15/98/11/1017159811.db2.gz FEJBFPNLDUOHSH-ZJUUUORDSA-N -1 0 303.311 -0.343 20 0 DBADRM CCOC(=O)[C@@H]1CN(Cn2cc(C(=O)[O-])nn2)CC12COC2 ZINC001596585533 1017159924 /nfs/dbraw/zinc/15/99/24/1017159924.db2.gz OQMGVIYFUWTMIG-VIFPVBQESA-N -1 0 310.310 -0.555 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001596576484 1017160925 /nfs/dbraw/zinc/16/09/25/1017160925.db2.gz SIMCWGAWRVROPU-KXUCPTDWSA-N -1 0 320.367 -0.289 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC001596594827 1017163589 /nfs/dbraw/zinc/16/35/89/1017163589.db2.gz NNPJXXLOMRIPRG-GUBZILKMSA-N -1 0 303.311 -0.609 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)CCSCC(=O)[O-] ZINC001596619847 1017163643 /nfs/dbraw/zinc/16/36/43/1017163643.db2.gz HVXZURPORISVAV-UHFFFAOYSA-N -1 0 306.340 -0.929 20 0 DBADRM CCOC(=O)N1C[C@H](NC(=O)[C@@H](C)CC(=O)[O-])[C@@H](CO)C1 ZINC001596643227 1017165034 /nfs/dbraw/zinc/16/50/34/1017165034.db2.gz QBNNRMBUKAYOCL-AEJSXWLSSA-N -1 0 302.327 -0.337 20 0 DBADRM CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)NCCCC(=O)[O-])C1 ZINC001596642843 1017165094 /nfs/dbraw/zinc/16/50/94/1017165094.db2.gz JYCGVALQFPYIIG-UWVGGRQHSA-N -1 0 317.342 -0.400 20 0 DBADRM CCOC(=O)NCC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001596658836 1017165273 /nfs/dbraw/zinc/16/52/73/1017165273.db2.gz DHUVWZLTOLICCA-UHFFFAOYSA-N -1 0 313.310 -0.045 20 0 DBADRM CCOC(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1 ZINC001596642866 1017165318 /nfs/dbraw/zinc/16/53/18/1017165318.db2.gz KLTXGBSOHUHCCM-SCZZXKLOSA-N -1 0 302.327 -0.195 20 0 DBADRM CCOC(=O)NCC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001596659100 1017165531 /nfs/dbraw/zinc/16/55/31/1017165531.db2.gz ISWQFWWOOBQOAX-JGVFFNPUSA-N -1 0 302.283 -0.935 20 0 DBADRM CCOC(=O)N1C[C@H](NC(=O)[C@H](C)CC(=O)[O-])[C@@H](CO)C1 ZINC001596643228 1017166012 /nfs/dbraw/zinc/16/60/12/1017166012.db2.gz QBNNRMBUKAYOCL-BBBLOLIVSA-N -1 0 302.327 -0.337 20 0 DBADRM CCOC(=O)c1cn(C)nc1NC(=O)NCCOCC(=O)[O-] ZINC001596732362 1017167288 /nfs/dbraw/zinc/16/72/88/1017167288.db2.gz HEYHSLJBKFALLL-UHFFFAOYSA-N -1 0 314.298 -0.181 20 0 DBADRM CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001596676682 1017167826 /nfs/dbraw/zinc/16/78/26/1017167826.db2.gz BHUPALQHWCGROY-BDAKNGLRSA-N -1 0 310.310 -0.176 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001596683659 1017167920 /nfs/dbraw/zinc/16/79/20/1017167920.db2.gz NNDXBVXNYVSCAP-IMSYWVGJSA-N -1 0 313.306 -0.482 20 0 DBADRM CCO[C@@H]1C[C@](NC(=O)[C@H](O)C(C)(C)O)(C(=O)[O-])C1(C)C ZINC001596812329 1017171578 /nfs/dbraw/zinc/17/15/78/1017171578.db2.gz HIBPXCNTGCHJMA-ITMYJUKJSA-N -1 0 303.355 -0.107 20 0 DBADRM CCO[C@H]1COCC[C@H]1NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001596859456 1017173462 /nfs/dbraw/zinc/17/34/62/1017173462.db2.gz CFLJBCVJKAJGRH-ZJUUUORDSA-N -1 0 310.372 -0.579 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@@H]1OC ZINC001596814386 1017171657 /nfs/dbraw/zinc/17/16/57/1017171657.db2.gz XUWPPXFAFICPMI-ILAIQSSSSA-N -1 0 314.338 -0.726 20 0 DBADRM CCO[C@@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])[C@H]1CCOC1 ZINC001596767592 1017171717 /nfs/dbraw/zinc/17/17/17/1017171717.db2.gz OQVUORCOOWWICN-MVWJERBFSA-N -1 0 311.338 -0.037 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CN1CCN(C2CC2)C1=O ZINC001596871967 1017172883 /nfs/dbraw/zinc/17/28/83/1017172883.db2.gz AWIXSOJCPHLWIJ-LLVKDONJSA-N -1 0 313.354 -0.166 20 0 DBADRM CCO[C@H]1COCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001596864412 1017173187 /nfs/dbraw/zinc/17/31/87/1017173187.db2.gz VIVIGOTXYSMNIH-CBAPKCEASA-N -1 0 319.339 -0.420 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)Cn1cc(C(=O)OC)cn1 ZINC001596872052 1017173402 /nfs/dbraw/zinc/17/34/02/1017173402.db2.gz AUFWIRBKCGQXRW-JTQLQIEISA-N -1 0 313.310 -0.382 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001596878399 1017175899 /nfs/dbraw/zinc/17/58/99/1017175899.db2.gz DQSKGFGHCVQGEB-VIFPVBQESA-N -1 0 308.294 -0.003 20 0 DBADRM CCOC[C@H]1CN([C@@H]2CCN(CCC(=O)[O-])C2=O)CCO1 ZINC001596897097 1017177768 /nfs/dbraw/zinc/17/77/68/1017177768.db2.gz VYBCMERWEJXNEZ-VXGBXAGGSA-N -1 0 300.355 -0.201 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001596889135 1017178857 /nfs/dbraw/zinc/17/88/57/1017178857.db2.gz IYDXYXQUQJUNHT-GARJFASQSA-N -1 0 309.384 -0.101 20 0 DBADRM CCOC[C@@H]1CN([C@@H]2CCN(CCC(=O)[O-])C2=O)CCO1 ZINC001596897092 1017179215 /nfs/dbraw/zinc/17/92/15/1017179215.db2.gz VYBCMERWEJXNEZ-NWDGAFQWSA-N -1 0 300.355 -0.201 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001596888956 1017179242 /nfs/dbraw/zinc/17/92/42/1017179242.db2.gz DFAQTEAAHZLMPM-GARJFASQSA-N -1 0 309.384 -0.244 20 0 DBADRM CCOCCN1CC(CCO)(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001596929218 1017179250 /nfs/dbraw/zinc/17/92/50/1017179250.db2.gz SUWMIFKKKJUFQT-MNOVXSKESA-N -1 0 300.355 -0.703 20 0 DBADRM CCOCCN1CC2(C1)CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])CCO2 ZINC001596928820 1017179272 /nfs/dbraw/zinc/17/92/72/1017179272.db2.gz DNNBUPQIYOVJCA-RYUDHWBXSA-N -1 0 312.366 -0.343 20 0 DBADRM CCOCC[C@H](O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC001596898990 1017179278 /nfs/dbraw/zinc/17/92/78/1017179278.db2.gz DTVOVINYOWKJEW-VIFPVBQESA-N -1 0 310.310 -0.535 20 0 DBADRM CCOCCOC[C@H](O)CNC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001596934092 1017181132 /nfs/dbraw/zinc/18/11/32/1017181132.db2.gz HCIJQXSVZFLNSC-NWDGAFQWSA-N -1 0 316.354 -0.127 20 0 DBADRM CCOc1cc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])[nH]n1 ZINC001597005279 1017184177 /nfs/dbraw/zinc/18/41/77/1017184177.db2.gz CLCRCVHSANUKSR-HTQZYQBOSA-N -1 0 310.310 -0.625 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001596980444 1017184286 /nfs/dbraw/zinc/18/42/86/1017184286.db2.gz CFQJRRFDPZJOPF-LNFKQOIKSA-N -1 0 302.327 -0.733 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001596980533 1017184343 /nfs/dbraw/zinc/18/43/43/1017184343.db2.gz GMLKMDUQOXFRSU-GMTAPVOTSA-N -1 0 314.338 -0.770 20 0 DBADRM CCOc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001596997880 1017184431 /nfs/dbraw/zinc/18/44/31/1017184431.db2.gz KMVRXSJFFCASKL-BDAKNGLRSA-N -1 0 322.321 -0.530 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001596981148 1017184586 /nfs/dbraw/zinc/18/45/86/1017184586.db2.gz VGUAKWSVGMNCBV-AXTSPUMRSA-N -1 0 317.342 -0.933 20 0 DBADRM CCOc1ncccc1NC(=O)C(=O)NCCOCC(=O)[O-] ZINC001597201819 1017188327 /nfs/dbraw/zinc/18/83/27/1017188327.db2.gz FRSIKDBLRUVAMJ-UHFFFAOYSA-N -1 0 311.294 -0.364 20 0 DBADRM CCS(=O)(=O)CC(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1 ZINC001597207741 1017189729 /nfs/dbraw/zinc/18/97/29/1017189729.db2.gz LLGYXWWPKNCCSD-SSDOTTSWSA-N -1 0 305.312 -0.598 20 0 DBADRM CC[S@@](=O)CCNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001597251016 1017196239 /nfs/dbraw/zinc/19/62/39/1017196239.db2.gz ZEYLBCAIKXVVBT-OAQYLSRUSA-N -1 0 315.351 -0.155 20 0 DBADRM CCc1c(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])cnn1C ZINC001597407167 1017197724 /nfs/dbraw/zinc/19/77/24/1017197724.db2.gz SGXNELISVMISPX-NXEZZACHSA-N -1 0 322.365 -0.109 20 0 DBADRM CCc1cc(C(=O)N(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n(C)n1 ZINC001597426722 1017198196 /nfs/dbraw/zinc/19/81/96/1017198196.db2.gz KTDRTNUPIGBGRT-WDEREUQCSA-N -1 0 322.365 -0.109 20 0 DBADRM CCc1cc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c(C)nn1 ZINC001597426497 1017198388 /nfs/dbraw/zinc/19/83/88/1017198388.db2.gz JFSVFTTXCGBEKJ-LLVKDONJSA-N -1 0 306.322 -0.285 20 0 DBADRM CCc1c(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cnn1C ZINC001597406897 1017198549 /nfs/dbraw/zinc/19/85/49/1017198549.db2.gz YKSDCGLTJUZBMJ-VHSXEESVSA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1[nH]c(C(=O)NC[C@H]2CC(C(N)=O)=NO2)c(C)c1C(=O)[O-] ZINC001597368271 1017199147 /nfs/dbraw/zinc/19/91/47/1017199147.db2.gz OSSJPNRLFYXXIO-SSDOTTSWSA-N -1 0 322.321 -0.056 20 0 DBADRM CCc1n[nH]cc1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597399891 1017199435 /nfs/dbraw/zinc/19/94/35/1017199435.db2.gz PHDRLFDZFKWNNS-BDAKNGLRSA-N -1 0 306.322 -0.367 20 0 DBADRM CCc1c(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cnn1C ZINC001597402625 1017199492 /nfs/dbraw/zinc/19/94/92/1017199492.db2.gz QKGKSNKCACCJBX-UWVGGRQHSA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1ccc(NC(=O)C(=O)N2CCNC(=O)C2)c(C(=O)[O-])c1 ZINC001597538407 1017201600 /nfs/dbraw/zinc/20/16/00/1017201600.db2.gz XIEADMPEZYAILR-UHFFFAOYSA-N -1 0 319.317 -0.156 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)nn1C ZINC001597478226 1017201830 /nfs/dbraw/zinc/20/18/30/1017201830.db2.gz VPUGPSBMTLTETR-WPRPVWTQSA-N -1 0 324.337 -0.785 20 0 DBADRM CN(C)C(=O)NCCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001598139791 1017238002 /nfs/dbraw/zinc/23/80/02/1017238002.db2.gz GCQFMPJMNNYNHU-VHSXEESVSA-N -1 0 301.343 -0.356 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)no1 ZINC001597477632 1017202506 /nfs/dbraw/zinc/20/25/06/1017202506.db2.gz HDODKCSBVLZQSG-HTQZYQBOSA-N -1 0 311.294 -0.531 20 0 DBADRM CCc1nc[nH]c1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001597697817 1017204030 /nfs/dbraw/zinc/20/40/30/1017204030.db2.gz NFRJPLUXAVJHBH-VHSXEESVSA-N -1 0 320.349 -0.023 20 0 DBADRM CCc1nnc(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])[nH]1 ZINC001597668820 1017204168 /nfs/dbraw/zinc/20/41/68/1017204168.db2.gz IQBVRWXGGILYPX-MRVPVSSYSA-N -1 0 302.356 -0.559 20 0 DBADRM CCc1nc[nH]c1C(=O)NCC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597697440 1017204224 /nfs/dbraw/zinc/20/42/24/1017204224.db2.gz FDALSCINXNWWCS-UWVGGRQHSA-N -1 0 320.349 -0.119 20 0 DBADRM CCc1nc[nH]c1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597697401 1017204283 /nfs/dbraw/zinc/20/42/83/1017204283.db2.gz CSODGAPDKPLADH-UWVGGRQHSA-N -1 0 320.349 -0.024 20 0 DBADRM CCc1nnc2ccc(N3C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C3)nn21 ZINC001597735432 1017205804 /nfs/dbraw/zinc/20/58/04/1017205804.db2.gz CVXNJNKRSIGGOL-RKDXNWHRSA-N -1 0 319.321 -0.003 20 0 DBADRM CCc1nnc(N2CC[C@H](C(=O)[O-])C2)n1CCCn1cnnn1 ZINC001597731195 1017205836 /nfs/dbraw/zinc/20/58/36/1017205836.db2.gz XRKHJORENQFHOB-JTQLQIEISA-N -1 0 320.357 -0.172 20 0 DBADRM CCc1nocc1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597754415 1017206132 /nfs/dbraw/zinc/20/61/32/1017206132.db2.gz DSTKHROUQJHCRG-BDAKNGLRSA-N -1 0 307.306 -0.102 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001597723416 1017206260 /nfs/dbraw/zinc/20/62/60/1017206260.db2.gz JKAGOKWSBGFREV-LBPRGKRZSA-N -1 0 317.367 -0.153 20 0 DBADRM CCc1noc(COCC(=O)N2CCOC[C@@H]2CC(=O)[O-])n1 ZINC001597750457 1017206625 /nfs/dbraw/zinc/20/66/25/1017206625.db2.gz AEPJZYPAVJYCMP-VIFPVBQESA-N -1 0 313.310 -0.149 20 0 DBADRM CCc1nnc(CN2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001597728323 1017206835 /nfs/dbraw/zinc/20/68/35/1017206835.db2.gz BJWGMBJEJDZLBC-UWVGGRQHSA-N -1 0 308.338 -0.005 20 0 DBADRM CCc1noc(Cn2cnc3c(cnn3CC(=O)[O-])c2=O)n1 ZINC001597751533 1017207049 /nfs/dbraw/zinc/20/70/49/1017207049.db2.gz YINQGIOOSWOWOA-UHFFFAOYSA-N -1 0 304.266 -0.329 20 0 DBADRM CCn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1[C@@]1(C)CNC(=O)C1 ZINC001597858197 1017207736 /nfs/dbraw/zinc/20/77/36/1017207736.db2.gz ATCVOMSLQSOENJ-YMTOWFKASA-N -1 0 323.353 -0.635 20 0 DBADRM CCn1cc(C(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cn1 ZINC001597870983 1017207889 /nfs/dbraw/zinc/20/78/89/1017207889.db2.gz VDJJIOHXVIZQGU-GFCCVEGCSA-N -1 0 309.322 -0.230 20 0 DBADRM CCc1ocnc1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597824767 1017208215 /nfs/dbraw/zinc/20/82/15/1017208215.db2.gz QOPJBTGACVJGSZ-BDAKNGLRSA-N -1 0 307.306 -0.102 20 0 DBADRM CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CC(=O)[O-])C1 ZINC001597843120 1017208421 /nfs/dbraw/zinc/20/84/21/1017208421.db2.gz GYZIWJUUUAEYPI-ZJUUUORDSA-N -1 0 323.353 -0.071 20 0 DBADRM CCn1c(C[S@@](C)=O)nnc1N1CCO[C@H](CC(=O)[O-])C1 ZINC001597857484 1017208819 /nfs/dbraw/zinc/20/88/19/1017208819.db2.gz XSZGUTIFLUSBRO-AOUSDQRYSA-N -1 0 316.383 -0.144 20 0 DBADRM CCn1c([C@@H]2CCC(=O)NC2)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001597844933 1017208852 /nfs/dbraw/zinc/20/88/52/1017208852.db2.gz SMKMECHICXIKNS-NXEZZACHSA-N -1 0 323.353 -0.419 20 0 DBADRM CCn1c([C@H](O)COC)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001597842562 1017209024 /nfs/dbraw/zinc/20/90/24/1017209024.db2.gz JESZDKQCWGASIZ-PELKAZGASA-N -1 0 302.306 -0.019 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)C(=O)NC ZINC001597785955 1017209295 /nfs/dbraw/zinc/20/92/95/1017209295.db2.gz VVZIVUYQTCCJRC-ZCFIWIBFSA-N -1 0 304.324 -0.047 20 0 DBADRM CCn1cc(Cl)c(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])n1 ZINC001597890331 1017211302 /nfs/dbraw/zinc/21/13/02/1017211302.db2.gz KNPXAVNDMYVQSY-QMMMGPOBSA-N -1 0 314.729 -0.076 20 0 DBADRM CCn1cc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001597875361 1017211881 /nfs/dbraw/zinc/21/18/81/1017211881.db2.gz JPFVBAAYHVSXPK-HNNXBMFYSA-N -1 0 322.365 -0.096 20 0 DBADRM CCn1cc(CNC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)nn1 ZINC001597890714 1017212071 /nfs/dbraw/zinc/21/20/71/1017212071.db2.gz PGJXIZAGDKTKTL-GXSJLCMTSA-N -1 0 302.356 -0.725 20 0 DBADRM CCn1cc(CN2C(=O)[C@@H]3C[C@H](C(=O)[O-])CCN3C2=O)nn1 ZINC001597887229 1017212148 /nfs/dbraw/zinc/21/21/48/1017212148.db2.gz GLPYMIFQJUNAGB-SCZZXKLOSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1cc(NC(=O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)cn1 ZINC001597895901 1017212287 /nfs/dbraw/zinc/21/22/87/1017212287.db2.gz YVHZAQDRYVSNKT-CYBMUJFWSA-N -1 0 310.310 -0.409 20 0 DBADRM CCn1cc(CC(=O)N2C[C@H](C(=O)OC)CC[C@@H]2C(=O)[O-])nn1 ZINC001597881292 1017212370 /nfs/dbraw/zinc/21/23/70/1017212370.db2.gz WIKFLYSPVIBVRE-MWLCHTKSSA-N -1 0 324.337 -0.295 20 0 DBADRM CCn1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])n1 ZINC001597907538 1017213625 /nfs/dbraw/zinc/21/36/25/1017213625.db2.gz SVJXVVAODWVKJL-SCZZXKLOSA-N -1 0 310.310 -0.722 20 0 DBADRM CCn1ccc(CN2CC(O)(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001597904233 1017213808 /nfs/dbraw/zinc/21/38/08/1017213808.db2.gz FMRSLBCKPWPZPK-NEPJUHHUSA-N -1 0 322.365 -0.713 20 0 DBADRM CCn1ccc(CN(C)C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC001597904201 1017213888 /nfs/dbraw/zinc/21/38/88/1017213888.db2.gz DESBTDDPXUMQAU-GFCCVEGCSA-N -1 0 323.349 -0.222 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)cn1 ZINC001597898152 1017214254 /nfs/dbraw/zinc/21/42/54/1017214254.db2.gz ITOXEQUBKHVWHU-SNVBAGLBSA-N -1 0 316.383 -0.460 20 0 DBADRM CCn1ccc(CNC(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)n1 ZINC001597905089 1017214753 /nfs/dbraw/zinc/21/47/53/1017214753.db2.gz VBEZDZYIRXGBID-QWRGUYRKSA-N -1 0 324.337 -0.082 20 0 DBADRM CCn1ccnc1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001597914200 1017214879 /nfs/dbraw/zinc/21/48/79/1017214879.db2.gz HCNUAOYRPJHQBP-UHFFFAOYSA-N -1 0 304.310 -0.345 20 0 DBADRM CCn1ccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)n1 ZINC001597905151 1017214943 /nfs/dbraw/zinc/21/49/43/1017214943.db2.gz VTQLPFFEPFMRJI-MWLCHTKSSA-N -1 0 308.338 -0.159 20 0 DBADRM CCn1cccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1=O ZINC001597911795 1017214952 /nfs/dbraw/zinc/21/49/52/1017214952.db2.gz PJRGCBYMFIIGTR-NSHDSACASA-N -1 0 321.333 -0.583 20 0 DBADRM CCn1nc(C)c(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])c1C ZINC001597938975 1017216733 /nfs/dbraw/zinc/21/67/33/1017216733.db2.gz GGIZIHHTXJOWEZ-SECBINFHSA-N -1 0 312.326 -0.590 20 0 DBADRM CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[N-]OCC(N)=O ZINC001597917877 1017217257 /nfs/dbraw/zinc/21/72/57/1017217257.db2.gz SAKSCXFBGXOOIP-SECBINFHSA-N -1 0 316.358 -0.929 20 0 DBADRM CCn1nccc1C(=O)NCCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001597962617 1017219248 /nfs/dbraw/zinc/21/92/48/1017219248.db2.gz NYOQQPZQTFWYMF-VHSXEESVSA-N -1 0 308.338 -0.140 20 0 DBADRM CCn1ncc(Cl)c1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001597958831 1017219477 /nfs/dbraw/zinc/21/94/77/1017219477.db2.gz WQSWBWONUXDTGS-MRVPVSSYSA-N -1 0 314.729 -0.028 20 0 DBADRM CCn1ncc(C(=O)NC[C@H](C)Nc2ccnc(C(=O)[O-])n2)n1 ZINC001597953736 1017219709 /nfs/dbraw/zinc/21/97/09/1017219709.db2.gz QIFUDIMFRNWHDY-QMMMGPOBSA-N -1 0 319.325 -0.562 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])n1 ZINC001597957414 1017219862 /nfs/dbraw/zinc/21/98/62/1017219862.db2.gz USTBOFNDAMOXAS-UHFFFAOYSA-N -1 0 320.309 -0.112 20 0 DBADRM CCn1ncc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001597950882 1017219983 /nfs/dbraw/zinc/21/99/83/1017219983.db2.gz SJIBONAQNRZLDE-VHSXEESVSA-N -1 0 321.337 -0.699 20 0 DBADRM CCn1nncc1CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001597975917 1017221426 /nfs/dbraw/zinc/22/14/26/1017221426.db2.gz NQGBKOJVNIUJCT-UHFFFAOYSA-N -1 0 300.300 -0.802 20 0 DBADRM CCn1nncc1C(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001597973831 1017221775 /nfs/dbraw/zinc/22/17/75/1017221775.db2.gz HCVYQDMMQACWEV-IUCAKERBSA-N -1 0 310.310 -0.224 20 0 DBADRM CCn1nncc1CN1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001597976012 1017222016 /nfs/dbraw/zinc/22/20/16/1017222016.db2.gz PVWWVWRLAADHLR-SCZZXKLOSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1nnc(C)c1COC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001597973996 1017222604 /nfs/dbraw/zinc/22/26/04/1017222604.db2.gz KYTGYVWIMHBJHU-JTQLQIEISA-N -1 0 324.337 -0.027 20 0 DBADRM CCn1nncc1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001597974381 1017222893 /nfs/dbraw/zinc/22/28/93/1017222893.db2.gz UWWUDFGGLVSQQG-AWEZNQCLSA-N -1 0 323.353 -0.701 20 0 DBADRM CN(C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)[C@@H]1CCSC1 ZINC001597983201 1017224142 /nfs/dbraw/zinc/22/41/42/1017224142.db2.gz XBNVXNZZEWSFFM-OPRDCNLKSA-N -1 0 316.379 -0.756 20 0 DBADRM CN(C(=O)C(=O)N1CCO[C@H](CCF)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597983595 1017224970 /nfs/dbraw/zinc/22/49/70/1017224970.db2.gz XPVQNOJEUVKBBR-OUAUKWLOSA-N -1 0 316.329 -0.105 20 0 DBADRM CN(C(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1)[C@H]1CCNC1=O ZINC001597990921 1017224977 /nfs/dbraw/zinc/22/49/77/1017224977.db2.gz WFXJGFSSXBMZND-NSHDSACASA-N -1 0 319.317 -0.401 20 0 DBADRM CN(C(=O)NCCOCCS(C)(=O)=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598050041 1017230786 /nfs/dbraw/zinc/23/07/86/1017230786.db2.gz NMJOTIWKTPFWOG-AOOOYVTPSA-N -1 0 322.383 -0.448 20 0 DBADRM CN(C(=O)NCCNC(=O)c1ccn[nH]1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598046676 1017231364 /nfs/dbraw/zinc/23/13/64/1017231364.db2.gz FWZWCVXJNGQXAF-DTORHVGOSA-N -1 0 309.326 -0.356 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])cn1 ZINC001598330215 1017255603 /nfs/dbraw/zinc/25/56/03/1017255603.db2.gz NDXCNVJGGRZJCV-QMMMGPOBSA-N -1 0 303.340 -0.739 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1nnnn1C ZINC001598476903 1017273999 /nfs/dbraw/zinc/27/39/99/1017273999.db2.gz AMUPPRORSYNXOJ-UWVGGRQHSA-N -1 0 310.358 -0.789 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)CCc1nnc[nH]1 ZINC001598495312 1017290174 /nfs/dbraw/zinc/29/01/74/1017290174.db2.gz FEGRPNVVWRRDOY-UHFFFAOYSA-N -1 0 319.325 -0.204 20 0 DBADRM CN(C[C@H]1CCCCN1C(=O)C(N)=O)c1ccnc(C(=O)[O-])n1 ZINC001598503342 1017292505 /nfs/dbraw/zinc/29/25/05/1017292505.db2.gz NOYXLZQGWMOHHJ-SECBINFHSA-N -1 0 321.337 -0.523 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001598553261 1017299839 /nfs/dbraw/zinc/29/98/39/1017299839.db2.gz ICMMYZYGMZRSOP-UASDCXGESA-N -1 0 300.336 -0.265 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccn(CC(F)F)n2)CC1=O ZINC001598563019 1017304617 /nfs/dbraw/zinc/30/46/17/1017304617.db2.gz NRRJZJUJLMFWEJ-MRVPVSSYSA-N -1 0 316.264 -0.484 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C[C@@H]2CC3(CO2)CCOCC3)CC1=O ZINC001598562903 1017304761 /nfs/dbraw/zinc/30/47/61/1017304761.db2.gz GBEFESVDRHMASR-RYUDHWBXSA-N -1 0 312.366 -0.201 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cc3c[nH]ccc-3n2)CC1=O ZINC001598562063 1017304904 /nfs/dbraw/zinc/30/49/04/1017304904.db2.gz GZAXDXWMULIFEK-LLVKDONJSA-N -1 0 302.290 -0.070 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C[C@H]2CC3(CO2)CCOCC3)CC1=O ZINC001598562904 1017304933 /nfs/dbraw/zinc/30/49/33/1017304933.db2.gz GBEFESVDRHMASR-VXGBXAGGSA-N -1 0 312.366 -0.201 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@@H](O)CCc2ccccc2)CC1=O ZINC001598562465 1017305330 /nfs/dbraw/zinc/30/53/30/1017305330.db2.gz KPCFLBIUAAWNRN-STQMWFEESA-N -1 0 320.345 -0.266 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)Cc2ccc(C(N)=O)cc2)CC1=O ZINC001598562073 1017305554 /nfs/dbraw/zinc/30/55/54/1017305554.db2.gz HUEUWRATOJECTR-NSHDSACASA-N -1 0 319.317 -0.918 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc(C(N)=O)cc2)CC1=O ZINC001598562805 1017305968 /nfs/dbraw/zinc/30/59/68/1017305968.db2.gz MCPFQMAQPCKNFM-SNVBAGLBSA-N -1 0 305.290 -0.847 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C[C@@H](O)Cc2ccc(F)cc2)CC1=O ZINC001598562981 1017306508 /nfs/dbraw/zinc/30/65/08/1017306508.db2.gz HTONPKNVECZXFV-QWHCGFSZSA-N -1 0 310.325 -0.044 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cnn(CC3CC3)c2)CC1=O ZINC001598564800 1017307689 /nfs/dbraw/zinc/30/76/89/1017307689.db2.gz YPBZKALSOLEHJD-LLVKDONJSA-N -1 0 306.322 -0.340 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@H]2CCc3nccn3C2)CC1=O ZINC001598564074 1017307879 /nfs/dbraw/zinc/30/78/79/1017307879.db2.gz WMSVXVBCTHLYAN-VHSXEESVSA-N -1 0 306.322 -0.801 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3cccnc3n2)CC1=O ZINC001598564240 1017307921 /nfs/dbraw/zinc/30/79/21/1017307921.db2.gz YXYWPUWFTXYVBL-NSHDSACASA-N -1 0 314.301 -0.003 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ncc3n2CCCC3)CC1=O ZINC001598564149 1017307998 /nfs/dbraw/zinc/30/79/98/1017307998.db2.gz QSEREMZXMUAZIV-JTQLQIEISA-N -1 0 306.322 -0.413 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)Cc2cnn3c2CCCC3)CC1=O ZINC001598564721 1017308171 /nfs/dbraw/zinc/30/81/71/1017308171.db2.gz KNQXLFGHGQJZCC-LBPRGKRZSA-N -1 0 320.349 -0.484 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@H]2CCC(=O)c3cccn32)CC1=O ZINC001598563470 1017308267 /nfs/dbraw/zinc/30/82/67/1017308267.db2.gz RHQAUOSALLBLIK-MNOVXSKESA-N -1 0 319.317 -0.241 20 0 DBADRM CN1CCC[C@@H](C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])C1=O ZINC001598591676 1017323384 /nfs/dbraw/zinc/32/33/84/1017323384.db2.gz CFFIRORKSJGLOD-HZMBPMFUSA-N -1 0 308.338 -0.289 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCN(C)C1=O ZINC001598588338 1017323913 /nfs/dbraw/zinc/32/39/13/1017323913.db2.gz WKTQONMYTXNNJQ-MRVPVSSYSA-N -1 0 301.324 -0.768 20 0 DBADRM CN1CC[C@@H]1CNC(=O)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001598588678 1017323940 /nfs/dbraw/zinc/32/39/40/1017323940.db2.gz CXRQRVQLAQYKNB-NXEZZACHSA-N -1 0 315.395 -0.917 20 0 DBADRM CN1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1=O ZINC001598586801 1017324602 /nfs/dbraw/zinc/32/46/02/1017324602.db2.gz AYHVAJWPIKTKAU-SSDOTTSWSA-N -1 0 302.308 -0.123 20 0 DBADRM CN1CC[C@H](NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1=O ZINC001598586626 1017324749 /nfs/dbraw/zinc/32/47/49/1017324749.db2.gz OMVIWUSAYYNVCK-PKFCDNJMSA-N -1 0 311.338 -0.650 20 0 DBADRM CN1CC[C@@H]1CNC(=O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001598588681 1017325087 /nfs/dbraw/zinc/32/50/87/1017325087.db2.gz CXRQRVQLAQYKNB-VHSXEESVSA-N -1 0 315.395 -0.917 20 0 DBADRM CN1CCCC[C@@H](C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])C1=O ZINC001598599327 1017327186 /nfs/dbraw/zinc/32/71/86/1017327186.db2.gz RXZMVTKKLJHOOX-WDEREUQCSA-N -1 0 308.338 -0.289 20 0 DBADRM CN1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598598159 1017327491 /nfs/dbraw/zinc/32/74/91/1017327491.db2.gz LBBSGUZISIPGJQ-VHSXEESVSA-N -1 0 314.367 -0.035 20 0 DBADRM CN1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598598155 1017329413 /nfs/dbraw/zinc/32/94/13/1017329413.db2.gz LBBSGUZISIPGJQ-NXEZZACHSA-N -1 0 314.367 -0.035 20 0 DBADRM CN1CCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)CCC1=O ZINC001598603402 1017332141 /nfs/dbraw/zinc/33/21/41/1017332141.db2.gz IIUDOKKQGGJLPI-UHFFFAOYSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1CCN(C(=O)NCCCS(C)(=O)=O)C[C@@H](C(=O)[O-])C1 ZINC001598606924 1017337371 /nfs/dbraw/zinc/33/73/71/1017337371.db2.gz LTLVWSDXYYXHNV-JTQLQIEISA-N -1 0 321.399 -0.921 20 0 DBADRM CN1CCN(C(=O)[C@H]2CCCS2(=O)=O)C[C@@H](C(=O)[O-])C1 ZINC001598606580 1017338976 /nfs/dbraw/zinc/33/89/76/1017338976.db2.gz YOQCAMGUBCDXNJ-VHSXEESVSA-N -1 0 304.368 -0.962 20 0 DBADRM CN1CCN(C)[C@H](CN2C(=O)[C@@H]3CC[C@@H](C(=O)[O-])CN3C2=O)C1 ZINC001598611210 1017341425 /nfs/dbraw/zinc/34/14/25/1017341425.db2.gz HJQMGCLMISNFOM-WOPDTQHZSA-N -1 0 324.381 -0.640 20 0 DBADRM CN1CCN(CC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CC1=O ZINC001598614774 1017344393 /nfs/dbraw/zinc/34/43/93/1017344393.db2.gz DARRSRHSWULNDL-KXNHARMFSA-N -1 0 309.366 -0.624 20 0 DBADRM CN1CCN(CC(=O)N2CCSC[C@H]2CC(=O)[O-])CC1=O ZINC001598615648 1017346975 /nfs/dbraw/zinc/34/69/75/1017346975.db2.gz KEEBXKAIDKLSSH-SNVBAGLBSA-N -1 0 315.395 -0.821 20 0 DBADRM CN1CCN(CC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CC1 ZINC001598615948 1017348290 /nfs/dbraw/zinc/34/82/90/1017348290.db2.gz MJXBRTDEJMGFHZ-SWLSCSKDSA-N -1 0 311.382 -0.817 20 0 DBADRM CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)CCC1=O ZINC001598620994 1017351261 /nfs/dbraw/zinc/35/12/61/1017351261.db2.gz HEZQLBGKVGQECX-UHFFFAOYSA-N -1 0 313.335 -0.367 20 0 DBADRM CN1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C[C@H]1CO ZINC001598620694 1017352338 /nfs/dbraw/zinc/35/23/38/1017352338.db2.gz HSLOVNKHUPGIGD-JTQLQIEISA-N -1 0 306.384 -0.821 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001497369589 1017354832 /nfs/dbraw/zinc/35/48/32/1017354832.db2.gz FKKDINOATZNHOA-APPZFPTMSA-N -1 0 321.337 -0.340 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C1 ZINC001598624432 1017355291 /nfs/dbraw/zinc/35/52/91/1017355291.db2.gz XCQGITJOQRTLLC-ZIQFBCGOSA-N -1 0 318.395 -0.654 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)C1 ZINC001598625384 1017355736 /nfs/dbraw/zinc/35/57/36/1017355736.db2.gz KUKSKQUYZYOHJE-WVIDZAQPSA-N -1 0 312.366 -0.154 20 0 DBADRM CN1CCOC[C@H]1CNS(=O)(=O)c1occc1C(=O)[O-] ZINC001598625668 1017355902 /nfs/dbraw/zinc/35/59/02/1017355902.db2.gz PZFYSMNAZAXFTD-MRVPVSSYSA-N -1 0 304.324 -0.413 20 0 DBADRM CN1CCO[C@H](C(=O)NCC2(CC(=O)[O-])CCOCC2)C1=O ZINC001598625967 1017356117 /nfs/dbraw/zinc/35/61/17/1017356117.db2.gz QPKDPQGMYWBFPK-LLVKDONJSA-N -1 0 314.338 -0.769 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@@H](Cc2ccccc2O)C(=O)[O-])C1=O ZINC001598624256 1017356217 /nfs/dbraw/zinc/35/62/17/1017356217.db2.gz GGPHWQLNYYEKJC-CMPLNLGQSA-N -1 0 322.317 -0.639 20 0 DBADRM CNC(=O)C1(C(=O)NCCNc2ncc(C(=O)[O-])cn2)CCC1 ZINC001598631347 1017357404 /nfs/dbraw/zinc/35/74/04/1017357404.db2.gz BPQYEPIVCQGTHP-UHFFFAOYSA-N -1 0 321.337 -0.381 20 0 DBADRM CN1CCO[C@@H](C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001598626308 1017357407 /nfs/dbraw/zinc/35/74/07/1017357407.db2.gz SUCFCXFAIGSDLY-ZYHUDNBSSA-N -1 0 323.353 -0.530 20 0 DBADRM CN(C(=O)[C@@H]1CN(C)CCO1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598626413 1017358195 /nfs/dbraw/zinc/35/81/95/1017358195.db2.gz WFECCAJPNOSQIH-RYUDHWBXSA-N -1 0 300.355 -0.202 20 0 DBADRM CN1CCn2nc(NC(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)cc2C1 ZINC001598627986 1017358748 /nfs/dbraw/zinc/35/87/48/1017358748.db2.gz JGSGCIRPRAIBEJ-KOLCDFICSA-N -1 0 323.353 -0.372 20 0 DBADRM CN1CC[C@@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])no3)C[C@@H]21 ZINC001598625989 1017358833 /nfs/dbraw/zinc/35/88/33/1017358833.db2.gz RDSIRKVMMPGTOV-APPZFPTMSA-N -1 0 301.324 -0.303 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598630466 1017359342 /nfs/dbraw/zinc/35/93/42/1017359342.db2.gz OXXCUHMRLHLSLJ-VIFPVBQESA-N -1 0 313.354 -0.802 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CCO1 ZINC001598636675 1017360832 /nfs/dbraw/zinc/36/08/32/1017360832.db2.gz AAJNTJGFBHOARX-HBNTYKKESA-N -1 0 314.338 -0.628 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001598634815 1017361667 /nfs/dbraw/zinc/36/16/67/1017361667.db2.gz WOHQIJVRIVMKBG-ZETCQYMHSA-N -1 0 301.324 -0.499 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CCC(=O)[O-])O2)CCO1 ZINC001598636679 1017361772 /nfs/dbraw/zinc/36/17/72/1017361772.db2.gz AAJNTJGFBHOARX-VWYCJHECSA-N -1 0 314.338 -0.628 20 0 DBADRM CNC(=O)C1(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)CC1 ZINC001598633047 1017362079 /nfs/dbraw/zinc/36/20/79/1017362079.db2.gz JYFICJCSKUHSBC-SECBINFHSA-N -1 0 312.322 -0.479 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001598634316 1017362461 /nfs/dbraw/zinc/36/24/61/1017362461.db2.gz XGVXBCAJSRWISB-WYFGTUCQSA-N -1 0 319.365 -0.078 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001598639835 1017362953 /nfs/dbraw/zinc/36/29/53/1017362953.db2.gz WQWXJBAZQVYQGB-JTQLQIEISA-N -1 0 322.321 -0.820 20 0 DBADRM CNC(=O)C1CN(C(=O)C(=O)Nc2sccc2C(=O)[O-])C1 ZINC001598639592 1017363316 /nfs/dbraw/zinc/36/33/16/1017363316.db2.gz ZDKCCRTYPZBXBU-UHFFFAOYSA-N -1 0 311.319 -0.411 20 0 DBADRM CNC(=O)CCCN(C)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001598641636 1017363699 /nfs/dbraw/zinc/36/36/99/1017363699.db2.gz JTCFYHXYAZHCSG-ONGXEEELSA-N -1 0 301.343 -0.356 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598639943 1017364211 /nfs/dbraw/zinc/36/42/11/1017364211.db2.gz OAPUEYNYFURDSH-DTWKUNHWSA-N -1 0 324.341 -0.543 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)CCO1 ZINC001598636740 1017364285 /nfs/dbraw/zinc/36/42/85/1017364285.db2.gz AXNHFONVHUNQSY-USEMIUTHSA-N -1 0 308.290 -0.036 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)c2cc(C(=O)[O-])nn2C)CC1 ZINC001598641643 1017364543 /nfs/dbraw/zinc/36/45/43/1017364543.db2.gz ABLBYKYBONOSPS-UHFFFAOYSA-N -1 0 323.353 -0.942 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598639684 1017364569 /nfs/dbraw/zinc/36/45/69/1017364569.db2.gz KGAFTFPRPRGGRO-OQPBUACISA-N -1 0 312.326 -0.474 20 0 DBADRM CNC(=O)CN1CCCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC001598641654 1017364733 /nfs/dbraw/zinc/36/47/33/1017364733.db2.gz AGPOKTGUMWNLIY-UHFFFAOYSA-N -1 0 309.366 -0.478 20 0 DBADRM CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1 ZINC001598639092 1017364890 /nfs/dbraw/zinc/36/48/90/1017364890.db2.gz QGJRMOLIUSCQQT-UHFFFAOYSA-N -1 0 323.280 -0.333 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001598643436 1017365659 /nfs/dbraw/zinc/36/56/59/1017365659.db2.gz ZIFCOPWOZMFQDN-JTQLQIEISA-N -1 0 313.354 -0.802 20 0 DBADRM CNC(=O)CN1CC=C(CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001598642908 1017365974 /nfs/dbraw/zinc/36/59/74/1017365974.db2.gz MOXOHAQSDJPGAU-RYUDHWBXSA-N -1 0 309.366 -0.409 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001598645205 1017366510 /nfs/dbraw/zinc/36/65/10/1017366510.db2.gz SWLJGYUDQPCGIC-UHFFFAOYSA-N -1 0 313.697 -0.161 20 0 DBADRM CNC(=O)CN1CC=C(CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001598642901 1017366538 /nfs/dbraw/zinc/36/65/38/1017366538.db2.gz MOXOHAQSDJPGAU-NEPJUHHUSA-N -1 0 309.366 -0.409 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001598643367 1017366747 /nfs/dbraw/zinc/36/67/47/1017366747.db2.gz ZEMOBCCTCFVXNU-UHFFFAOYSA-N -1 0 323.305 -0.464 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001598643013 1017366759 /nfs/dbraw/zinc/36/67/59/1017366759.db2.gz VVJDPKISVZMRAT-UHFFFAOYSA-N -1 0 321.333 -0.373 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001598643692 1017366990 /nfs/dbraw/zinc/36/69/90/1017366990.db2.gz TUIOKOFLFQHULO-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM CNC(=O)N[C@H]1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC001598652007 1017369438 /nfs/dbraw/zinc/36/94/38/1017369438.db2.gz GCOZNLURTODNAQ-VIFPVBQESA-N -1 0 319.383 -0.426 20 0 DBADRM CNC(=O)NCCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001598653223 1017370906 /nfs/dbraw/zinc/37/09/06/1017370906.db2.gz JXZDJEYDAOWEQJ-VIFPVBQESA-N -1 0 316.358 -0.963 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001598654091 1017371217 /nfs/dbraw/zinc/37/12/17/1017371217.db2.gz CUVJLQBPBSDEQU-SSDOTTSWSA-N -1 0 323.305 -0.417 20 0 DBADRM CNC(=O)NCCC(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001598653242 1017372581 /nfs/dbraw/zinc/37/25/81/1017372581.db2.gz KKULYJRMMLGJPA-SECBINFHSA-N -1 0 315.326 -0.686 20 0 DBADRM CNC(=O)N[C@H]1CCN(S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001598653654 1017372930 /nfs/dbraw/zinc/37/29/30/1017372930.db2.gz XGOOTRHQTXRNHG-ZETCQYMHSA-N -1 0 317.323 -0.330 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001598655909 1017374407 /nfs/dbraw/zinc/37/44/07/1017374407.db2.gz MSSPRMFQWWKGFF-ZETCQYMHSA-N -1 0 323.305 -0.417 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001598656252 1017374953 /nfs/dbraw/zinc/37/49/53/1017374953.db2.gz UWPUQMGCAXJBHK-QMMMGPOBSA-N -1 0 300.336 -0.061 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(C(=O)[O-])n2C)C1 ZINC001598669876 1017379131 /nfs/dbraw/zinc/37/91/31/1017379131.db2.gz UAMKIEHKVKDMTM-SNVBAGLBSA-N -1 0 301.368 -0.153 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001598670653 1017379600 /nfs/dbraw/zinc/37/96/00/1017379600.db2.gz HCTVVRAIOQMPTL-UHFFFAOYSA-N -1 0 317.323 -0.609 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001598669546 1017380030 /nfs/dbraw/zinc/38/00/30/1017380030.db2.gz NNRZOAHVUUOKJW-BBBLOLIVSA-N -1 0 320.367 -0.841 20 0 DBADRM CNS(=O)(=O)NCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001598670310 1017380173 /nfs/dbraw/zinc/38/01/73/1017380173.db2.gz BBHFRGYMOOZHDD-UHFFFAOYSA-N -1 0 301.324 -0.945 20 0 DBADRM CNS(=O)(=O)CCNC(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001598671994 1017382443 /nfs/dbraw/zinc/38/24/43/1017382443.db2.gz KVATURYVBVAYBF-UHFFFAOYSA-N -1 0 316.339 -0.241 20 0 DBADRM CNS(=O)(=O)CCNC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001598672131 1017382473 /nfs/dbraw/zinc/38/24/73/1017382473.db2.gz NGISOJKNKCANEK-UHFFFAOYSA-N -1 0 322.368 -0.559 20 0 DBADRM CNc1nc(C)cc(C(=O)NCCC(=O)NCCC(=O)[O-])n1 ZINC001598681520 1017384692 /nfs/dbraw/zinc/38/46/92/1017384692.db2.gz NOJJSRRLIOFCSV-UHFFFAOYSA-N -1 0 309.326 -0.462 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)O[C@H](COC)C(=O)[O-])co1 ZINC001598673846 1017384834 /nfs/dbraw/zinc/38/48/34/1017384834.db2.gz DKHHUHBWVLCNLL-SSDOTTSWSA-N -1 0 307.280 -0.556 20 0 DBADRM CNS(=O)(=O)c1cccc2c1CCN(C(=O)CC(=O)[O-])C2 ZINC001598675585 1017384971 /nfs/dbraw/zinc/38/49/71/1017384971.db2.gz FRWCYTHSMZMCOS-UHFFFAOYSA-N -1 0 312.347 -0.046 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)C(=O)[O-])c(C)o1 ZINC001598673800 1017385452 /nfs/dbraw/zinc/38/54/52/1017385452.db2.gz BZQOHONTAWGWKQ-LURJTMIESA-N -1 0 319.291 -0.305 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NOCCCC(=O)[O-])co1 ZINC001598674417 1017386344 /nfs/dbraw/zinc/38/63/44/1017386344.db2.gz NIXDMIZDLUBQNQ-UHFFFAOYSA-N -1 0 306.296 -0.286 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)OC2(C(=O)[O-])CC2)cn1 ZINC001598672918 1017386786 /nfs/dbraw/zinc/38/67/86/1017386786.db2.gz MAYSTTMPYJOPGC-UHFFFAOYSA-N -1 0 300.292 -0.236 20 0 DBADRM CNc1nnc(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])s1 ZINC001598682683 1017387851 /nfs/dbraw/zinc/38/78/51/1017387851.db2.gz QMPULPZOBBEQQT-ZETCQYMHSA-N -1 0 300.340 -0.176 20 0 DBADRM CNc1nnc(CC(=O)N2CC[C@](OC)(C(=O)[O-])C2)s1 ZINC001598682478 1017389131 /nfs/dbraw/zinc/38/91/31/1017389131.db2.gz LSAHTORHDPUQKE-LLVKDONJSA-N -1 0 300.340 -0.176 20 0 DBADRM CNc1nnc(CC(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)s1 ZINC001598682435 1017387912 /nfs/dbraw/zinc/38/79/12/1017387912.db2.gz JVNQEUREFGCFEI-JGVFFNPUSA-N -1 0 314.367 -0.024 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001598688524 1017387963 /nfs/dbraw/zinc/38/79/63/1017387963.db2.gz QSDNOBMKMCOATO-NHRVJRKFSA-N -1 0 305.352 -0.032 20 0 DBADRM COC(=O)/C(C)=C/COC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598689624 1017388258 /nfs/dbraw/zinc/38/82/58/1017388258.db2.gz WNRFZAZQUKYILQ-CYNRKNSPSA-N -1 0 313.306 -0.028 20 0 DBADRM COC(=O)[C@@](C)(O)C[NH+]1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001598687547 1017388738 /nfs/dbraw/zinc/38/87/38/1017388738.db2.gz JCIJPORXKUMAEV-ZDUSSCGKSA-N -1 0 315.366 -0.008 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](O)c1cccc(OC)c1 ZINC001598694422 1017389971 /nfs/dbraw/zinc/38/99/71/1017389971.db2.gz MSSIOJVXEYDKDF-JQWIXIFHSA-N -1 0 311.290 -0.139 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)C(=O)c1c(C)nn(C)c1C ZINC001598690981 1017390292 /nfs/dbraw/zinc/39/02/92/1017390292.db2.gz DJQKSLVUARNMMJ-MRVPVSSYSA-N -1 0 311.294 -0.648 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)Cn1nnc2c1CCCC2 ZINC001598693489 1017390487 /nfs/dbraw/zinc/39/04/87/1017390487.db2.gz NRTRKXRJVGHVSE-SECBINFHSA-N -1 0 310.310 -0.711 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc2c(cc1O)OCO2 ZINC001598694123 1017390674 /nfs/dbraw/zinc/39/06/74/1017390674.db2.gz WNEFBBQCDYKKHV-ZETCQYMHSA-N -1 0 311.246 -0.133 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cccc(NC(N)=O)c1 ZINC001598693017 1017391035 /nfs/dbraw/zinc/39/10/35/1017391035.db2.gz PUGUKIWMJXTXMT-VIFPVBQESA-N -1 0 309.278 -0.077 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)CCC[C@@H]1CCOC1 ZINC001598694671 1017391268 /nfs/dbraw/zinc/39/12/68/1017391268.db2.gz MORYSRDRXMXDQK-ZJUUUORDSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001598694406 1017391421 /nfs/dbraw/zinc/39/14/21/1017391421.db2.gz MRLXLNNGSDJUMO-ZJUUUORDSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001598692890 1017391481 /nfs/dbraw/zinc/39/14/81/1017391481.db2.gz FIVKLDFGMMTAHC-ZJUUUORDSA-N -1 0 314.338 -0.377 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccn(CC(F)F)n1 ZINC001598694369 1017391501 /nfs/dbraw/zinc/39/15/01/1017391501.db2.gz XYPBFXWSOISSPF-SSDOTTSWSA-N -1 0 305.237 -0.106 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC(F)(F)F ZINC001598695774 1017392418 /nfs/dbraw/zinc/39/24/18/1017392418.db2.gz ZJCDHEHYVNZVHA-RXMQYKEDSA-N -1 0 307.246 -0.126 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1c(C)nn(C)c1C ZINC001598694934 1017392579 /nfs/dbraw/zinc/39/25/79/1017392579.db2.gz OGBBTWMUBANZDQ-QMMMGPOBSA-N -1 0 319.339 -0.668 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001598695878 1017392817 /nfs/dbraw/zinc/39/28/17/1017392817.db2.gz ZXBKEPFEYUOYOI-AMIZOPFISA-N -1 0 300.311 -0.432 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)C1CN(CC(F)(F)F)C1 ZINC001598695859 1017393041 /nfs/dbraw/zinc/39/30/41/1017393041.db2.gz ZPCZGOSPLBTSMP-ZETCQYMHSA-N -1 0 312.244 -0.387 20 0 DBADRM COC(=O)[C@H](CCF)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598699075 1017393392 /nfs/dbraw/zinc/39/33/92/1017393392.db2.gz OBLDNLBZHRUBTF-BDAKNGLRSA-N -1 0 318.301 -0.673 20 0 DBADRM COC(=O)[C@H](CCF)NS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001598699347 1017393957 /nfs/dbraw/zinc/39/39/57/1017393957.db2.gz PKZYSUIZCSOWQX-ZETCQYMHSA-N -1 0 320.298 -0.041 20 0 DBADRM COC(=O)[C@H](C[C@@H]1CCCO1)NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001598697411 1017393978 /nfs/dbraw/zinc/39/39/78/1017393978.db2.gz OBAXEOFGLRPDAI-GUBZILKMSA-N -1 0 323.367 -0.263 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001598703358 1017394900 /nfs/dbraw/zinc/39/49/00/1017394900.db2.gz DZAKDURBGVIJPT-SECBINFHSA-N -1 0 321.282 -0.664 20 0 DBADRM COC(=O)[C@H](NCc1nnn(C)n1)c1cccc(C(=O)[O-])c1 ZINC001598708986 1017395350 /nfs/dbraw/zinc/39/53/50/1017395350.db2.gz KODXWQGERFGAIK-LLVKDONJSA-N -1 0 305.294 -0.088 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1CCc2nn(C)c(=O)cc2C1 ZINC001598700341 1017395503 /nfs/dbraw/zinc/39/55/03/1017395503.db2.gz VKNNJLTWPQNKCN-LLVKDONJSA-N -1 0 309.322 -0.455 20 0 DBADRM COC(=O)[C@@H](NCc1nnn(C)n1)c1cccc(C(=O)[O-])c1 ZINC001598708987 1017396518 /nfs/dbraw/zinc/39/65/18/1017396518.db2.gz KODXWQGERFGAIK-NSHDSACASA-N -1 0 305.294 -0.088 20 0 DBADRM COC(=O)[C@]1(C)C[C@@H](OC)CN1CCC(=O)NCC(=O)[O-] ZINC001598717130 1017396886 /nfs/dbraw/zinc/39/68/86/1017396886.db2.gz CSDDSQFICVUQCM-RNCFNFMXSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)[C@]1(C)C[C@@H](OC)CN1S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001598717514 1017397252 /nfs/dbraw/zinc/39/72/52/1017397252.db2.gz AZJONAPARFZQPX-LNLATYFQSA-N -1 0 323.367 -0.311 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])CC1 ZINC001598720244 1017398474 /nfs/dbraw/zinc/39/84/74/1017398474.db2.gz SEPKNWSARWYDBV-ZCFIWIBFSA-N -1 0 315.294 -0.033 20 0 DBADRM COC(=O)C1(NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CCC1 ZINC001598723940 1017398566 /nfs/dbraw/zinc/39/85/66/1017398566.db2.gz GNKSZCGOSSXRJB-UHFFFAOYSA-N -1 0 303.296 -0.518 20 0 DBADRM COC(=O)C1(NS(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC001598723842 1017398956 /nfs/dbraw/zinc/39/89/56/1017398956.db2.gz FRHLCWHFGBBQTH-UHFFFAOYSA-N -1 0 306.321 -0.175 20 0 DBADRM COC(=O)C1(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CCC1 ZINC001598721945 1017399380 /nfs/dbraw/zinc/39/93/80/1017399380.db2.gz ISFCXYPTOAFAJA-VIFPVBQESA-N -1 0 312.322 -0.479 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001598719014 1017399534 /nfs/dbraw/zinc/39/95/34/1017399534.db2.gz ORRXFUCVCQUOCE-TVLCNXBWSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)C12CC(C1)CN2S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001598727455 1017400936 /nfs/dbraw/zinc/40/09/36/1017400936.db2.gz VNBVOIYOWHXWTE-UHFFFAOYSA-N -1 0 315.307 -0.566 20 0 DBADRM COC(=O)[C@]1(OC)CCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1 ZINC001598726531 1017401235 /nfs/dbraw/zinc/40/12/35/1017401235.db2.gz WVFWLUIZEBKTTK-UFBFGSQYSA-N -1 0 302.283 -0.887 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)Cn1ccccc1=O ZINC001598742359 1017403301 /nfs/dbraw/zinc/40/33/01/1017403301.db2.gz AJNSXSICIAELIR-WDEREUQCSA-N -1 0 322.317 -0.287 20 0 DBADRM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1cccc(C(=O)[O-])n1 ZINC001598741895 1017403705 /nfs/dbraw/zinc/40/37/05/1017403705.db2.gz JNKQWOGBUWRZTI-MNOVXSKESA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cc1cnn(C)c1 ZINC001598745203 1017405222 /nfs/dbraw/zinc/40/52/22/1017405222.db2.gz KMLXECKHQQDGIM-GHMZBOCLSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1NC(=O)O[C@H]1C ZINC001598750194 1017405302 /nfs/dbraw/zinc/40/53/02/1017405302.db2.gz PUUICHKKQYUICT-UYXSQOIJSA-N -1 0 314.294 -0.652 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@]1(F)CCOC1 ZINC001598747847 1017405679 /nfs/dbraw/zinc/40/56/79/1017405679.db2.gz BVYUVOJYMNZMDL-RVBZMBCESA-N -1 0 303.286 -0.020 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCc1cnn(C)n1 ZINC001598747861 1017405844 /nfs/dbraw/zinc/40/58/44/1017405844.db2.gz CCWLZPAAPNLMJN-ONGXEEELSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)/C=C\Cn1cncn1 ZINC001598760723 1017406842 /nfs/dbraw/zinc/40/68/42/1017406842.db2.gz BBDIDYPKWGBRMS-NPRAVPSUSA-N -1 0 322.321 -0.301 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(C(=O)[O-])n2C)C1 ZINC001598756542 1017407039 /nfs/dbraw/zinc/40/70/39/1017407039.db2.gz MIIQDQPVFBFZIV-RKDXNWHRSA-N -1 0 310.306 -0.281 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C[C@@H](O)C1(O)CCC1 ZINC001598753522 1017407081 /nfs/dbraw/zinc/40/70/81/1017407081.db2.gz VCZMCSZSXJXAFO-GARJFASQSA-N -1 0 301.339 -0.400 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001598754600 1017407418 /nfs/dbraw/zinc/40/74/18/1017407418.db2.gz FQRJGRNNXUSBGF-JLIMGVALSA-N -1 0 301.295 -0.999 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@H]1CCOC(=O)N1 ZINC001598760712 1017407580 /nfs/dbraw/zinc/40/75/80/1017407580.db2.gz AXLSOOPUGAYUST-HLTSFMKQSA-N -1 0 314.294 -0.650 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C[C@@H]1CN(C)C(=O)O1 ZINC001598754680 1017407595 /nfs/dbraw/zinc/40/75/95/1017407595.db2.gz YHYXXXKMLZYBNB-UTLUCORTSA-N -1 0 300.311 -0.225 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cn(C)ccc1=O ZINC001598754314 1017408058 /nfs/dbraw/zinc/40/80/58/1017408058.db2.gz SEBTZIZRHQZKAC-KOLCDFICSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc[n+]([O-])c1 ZINC001598756077 1017408398 /nfs/dbraw/zinc/40/83/98/1017408398.db2.gz WRKHMIFVEZTVGQ-ONGXEEELSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C(=O)c1cnn(C)c1 ZINC001598762440 1017409316 /nfs/dbraw/zinc/40/93/16/1017409316.db2.gz JHVSWODVXLTUKK-WCBMZHEXSA-N -1 0 323.305 -0.532 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001598764361 1017410157 /nfs/dbraw/zinc/41/01/57/1017410157.db2.gz HRWRNXXOXDEKMC-KWQFWETISA-N -1 0 323.305 -0.033 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(C=O)n(C)n1 ZINC001598766168 1017410169 /nfs/dbraw/zinc/41/01/69/1017410169.db2.gz CJAHJBZUWDANNS-KWQFWETISA-N -1 0 323.305 -0.289 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCn1cncn1 ZINC001598764460 1017410178 /nfs/dbraw/zinc/41/01/78/1017410178.db2.gz AGMYXIRPEGGWKS-QWRGUYRKSA-N -1 0 324.337 -0.077 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C(=O)c1cnn(C)c1 ZINC001598762438 1017410469 /nfs/dbraw/zinc/41/04/69/1017410469.db2.gz JHVSWODVXLTUKK-PSASIEDQSA-N -1 0 323.305 -0.532 20 0 DBADRM Cc1cc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001497538781 1017411496 /nfs/dbraw/zinc/41/14/96/1017411496.db2.gz VSTUSIMPYACKED-ONEGZZNKSA-N -1 0 305.342 -0.372 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(OC)nn1 ZINC001598773170 1017411513 /nfs/dbraw/zinc/41/15/13/1017411513.db2.gz YXVBDRZOOSQSQA-WPRPVWTQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(OC)nn2)C1 ZINC001598772634 1017411571 /nfs/dbraw/zinc/41/15/71/1017411571.db2.gz MEUPYPSJAZTRPJ-WPRPVWTQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2cncn2C)C1 ZINC001598772122 1017411981 /nfs/dbraw/zinc/41/19/81/1017411981.db2.gz FGABGMNNVUMTAN-ONGXEEELSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001598768424 1017412417 /nfs/dbraw/zinc/41/24/17/1017412417.db2.gz AKZRUGHWNPEEOF-RGOKHQFPSA-N -1 0 313.306 -0.340 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)Nc1ccon1 ZINC001598772410 1017412448 /nfs/dbraw/zinc/41/24/48/1017412448.db2.gz UGXVQEOSJSERMB-RKDXNWHRSA-N -1 0 311.294 -0.049 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1ccn(C)n1 ZINC001598771085 1017412732 /nfs/dbraw/zinc/41/27/32/1017412732.db2.gz YGHKMPIDQMLKGC-MWLCHTKSSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2nonc2C)C1 ZINC001598774781 1017413888 /nfs/dbraw/zinc/41/38/88/1017413888.db2.gz LEGKGLUDGNBWMP-PSASIEDQSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(=O)cc[nH]2)C1 ZINC001598775193 1017413900 /nfs/dbraw/zinc/41/39/00/1017413900.db2.gz SJQYOCICWZPJGJ-KWQFWETISA-N -1 0 308.290 -0.147 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001598774074 1017414238 /nfs/dbraw/zinc/41/42/38/1017414238.db2.gz PPOAOOSERZPLBA-GMSGAONNSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cn(C)ccc1=O ZINC001598774605 1017414267 /nfs/dbraw/zinc/41/42/67/1017414267.db2.gz ZIHMIPJSRPQTEE-MWLCHTKSSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001598776716 1017414500 /nfs/dbraw/zinc/41/45/00/1017414500.db2.gz JKAAMKAZVPXXSU-CBAPKCEASA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1CCS(=O)(=O)N(C)C ZINC001598775759 1017414624 /nfs/dbraw/zinc/41/46/24/1017414624.db2.gz HWRCAWWOSKMBCB-NXEZZACHSA-N -1 0 322.383 -0.784 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCS(C)(=O)=O)C1 ZINC001598775930 1017414964 /nfs/dbraw/zinc/41/49/64/1017414964.db2.gz NUTZJBDBTXLLRC-BDAKNGLRSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2cnnn2C)C1 ZINC001598776487 1017415215 /nfs/dbraw/zinc/41/52/15/1017415215.db2.gz ORTTVEZVHBPEEF-PSASIEDQSA-N -1 0 310.310 -0.778 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(CC(=O)Nc2ccon2)C1 ZINC001598780677 1017416028 /nfs/dbraw/zinc/41/60/28/1017416028.db2.gz UOPTYAQLUDMRBG-DTWKUNHWSA-N -1 0 311.294 -0.049 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H](O)c2cccnc2)C1 ZINC001598777560 1017416347 /nfs/dbraw/zinc/41/63/47/1017416347.db2.gz BFRRJPCXBMGONX-GRYCIOLGSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C/Cn2cncn2)C1 ZINC001598780780 1017416397 /nfs/dbraw/zinc/41/63/97/1017416397.db2.gz LAVZRWVZRUGQQS-WUNPDAOYSA-N -1 0 322.321 -0.301 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)C(=O)c2cnn(C)c2)C1 ZINC001598780793 1017416585 /nfs/dbraw/zinc/41/65/85/1017416585.db2.gz LAZYDAKIGUBJIK-SCZZXKLOSA-N -1 0 323.305 -0.532 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cnn(C)c2N)C1 ZINC001598780881 1017416729 /nfs/dbraw/zinc/41/67/29/1017416729.db2.gz SPSVSINCQVBPBX-VXNVDRBHSA-N -1 0 310.310 -0.519 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H](O)c2cccnc2)C1 ZINC001598777563 1017417022 /nfs/dbraw/zinc/41/70/22/1017417022.db2.gz BFRRJPCXBMGONX-IJLUTSLNSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc[n+]([O-])c2)C1 ZINC001598782689 1017417050 /nfs/dbraw/zinc/41/70/50/1017417050.db2.gz ZXJLKJOYOIPWIM-QWRGUYRKSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)CCc2cn(C)nn2)C1 ZINC001598777604 1017417093 /nfs/dbraw/zinc/41/70/93/1017417093.db2.gz QYJHJNYXRLUART-GXSJLCMTSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2ccn(C)n2)C1 ZINC001598779988 1017417282 /nfs/dbraw/zinc/41/72/82/1017417282.db2.gz XWZXNWGRGHVXEU-ONGXEEELSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cnn(C)c2N)C1 ZINC001598780879 1017417291 /nfs/dbraw/zinc/41/72/91/1017417291.db2.gz SPSVSINCQVBPBX-CBAPKCEASA-N -1 0 310.310 -0.519 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)COCC(=O)[O-])C1 ZINC001598785653 1017417627 /nfs/dbraw/zinc/41/76/27/1017417627.db2.gz QTGIDBSRZGKEHC-RKDXNWHRSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)[C@H](C(=O)[O-])C1 ZINC001598791930 1017418377 /nfs/dbraw/zinc/41/83/77/1017418377.db2.gz KYBTTXQTYQBJMT-HLTSFMKQSA-N -1 0 315.326 -0.702 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@@H](C(=O)[O-])C1 ZINC001598793015 1017418427 /nfs/dbraw/zinc/41/84/27/1017418427.db2.gz OFVGKQUJLGMGJY-MXWKQRLJSA-N -1 0 314.338 -0.818 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001598787940 1017418611 /nfs/dbraw/zinc/41/86/11/1017418611.db2.gz MKKMSKRSNJFUAC-RKDXNWHRSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)[C@H]1CCC[C@H](C(=O)NCC(=O)NCC(=O)[O-])C1 ZINC001598790918 1017418884 /nfs/dbraw/zinc/41/88/84/1017418884.db2.gz MXQFCMQIZSXQSB-IUCAKERBSA-N -1 0 300.311 -0.717 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCc2cnn(C)n2)[C@H](C(=O)[O-])C1 ZINC001598791178 1017419019 /nfs/dbraw/zinc/41/90/19/1017419019.db2.gz HTUOQKQWXZWTTK-ONGXEEELSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)C1 ZINC001598789663 1017419659 /nfs/dbraw/zinc/41/96/59/1017419659.db2.gz MRVOEZNXIURCHU-IVZWLZJFSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NCC2CC2)[C@H](C(=O)[O-])C1 ZINC001598790994 1017419949 /nfs/dbraw/zinc/41/99/49/1017419949.db2.gz TWRJTKWBIHFGFS-ZJUUUORDSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001598787938 1017419974 /nfs/dbraw/zinc/41/99/74/1017419974.db2.gz MKKMSKRSNJFUAC-IUCAKERBSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)[C@H]1C ZINC001598794057 1017420925 /nfs/dbraw/zinc/42/09/25/1017420925.db2.gz OCVBKLVYXBIWSR-VHSXEESVSA-N -1 0 322.317 -0.044 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cc(OC)ncn2)[C@H](C(=O)[O-])C1 ZINC001598795088 1017421450 /nfs/dbraw/zinc/42/14/50/1017421450.db2.gz CMSAXPMAZDNMIC-SCZZXKLOSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CO[C@@H]2CCOC2)[C@@H](C(=O)[O-])C1 ZINC001598795437 1017421856 /nfs/dbraw/zinc/42/18/56/1017421856.db2.gz ZMARUGHNPWBWMB-GMTAPVOTSA-N -1 0 315.322 -0.343 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CSC(=O)N2)[C@@H](C(=O)[O-])C1 ZINC001598795540 1017422117 /nfs/dbraw/zinc/42/21/17/1017422117.db2.gz YELZZCRCDAWOMH-GJMOJQLCSA-N -1 0 316.335 -0.324 20 0 DBADRM COC(=O)C1CCN(C(=O)Cn2cc(C(=O)[O-])ccc2=O)CC1 ZINC001598793952 1017422228 /nfs/dbraw/zinc/42/22/28/1017422228.db2.gz NDGGZRAUFVIBGK-UHFFFAOYSA-N -1 0 322.317 -0.042 20 0 DBADRM COC(=O)[C@H]1CCN(CCCS(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC001598797629 1017422418 /nfs/dbraw/zinc/42/24/18/1017422418.db2.gz BTCFVSIBGGYFFY-UWVGGRQHSA-N -1 0 307.368 -0.241 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cc2cncn2C)[C@H](C(=O)[O-])C1 ZINC001598793662 1017422439 /nfs/dbraw/zinc/42/24/39/1017422439.db2.gz LYUGFXLKCXSXFR-ONGXEEELSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)C[C@H]1C(=O)[O-] ZINC001598805329 1017423539 /nfs/dbraw/zinc/42/35/39/1017423539.db2.gz DAOUVKCVBADXRZ-OPRDCNLKSA-N -1 0 322.321 -0.827 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C2CCC2)C[C@@H]1C(=O)[O-] ZINC001598803116 1017423593 /nfs/dbraw/zinc/42/35/93/1017423593.db2.gz ITKVWQXUNFRDGE-VHSXEESVSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@H]1CCN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598803366 1017424201 /nfs/dbraw/zinc/42/42/01/1017424201.db2.gz KWFDFCGPOXSADF-SECBINFHSA-N -1 0 300.292 -0.284 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(C)(C)OC(C)=O)C[C@@H]1C(=O)[O-] ZINC001598803057 1017424234 /nfs/dbraw/zinc/42/42/34/1017424234.db2.gz IFEWSNBOLWIDRB-DTWKUNHWSA-N -1 0 301.295 -0.340 20 0 DBADRM COC(=O)C=C[C@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001598830571 1017440788 /nfs/dbraw/zinc/44/07/88/1017440788.db2.gz JAIGVFCGPNEWLD-YUDCMIJISA-N -1 0 303.296 -0.496 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)C[C@@H]1C(=O)[O-] ZINC001598805327 1017424394 /nfs/dbraw/zinc/42/43/94/1017424394.db2.gz DAOUVKCVBADXRZ-LPEHRKFASA-N -1 0 322.321 -0.827 20 0 DBADRM COC(=O)[C@H]1CCN2C(=O)N(C[C@H]3C[C@H]3C(=O)[O-])C(=O)[C@@H]2C1 ZINC001598803110 1017424526 /nfs/dbraw/zinc/42/45/26/1017424526.db2.gz IQDHLWYOZAETJS-JLIMGVALSA-N -1 0 310.306 -0.077 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCCC(=O)[O-])C[C@H]1C(=O)OC ZINC001598806207 1017424724 /nfs/dbraw/zinc/42/47/24/1017424724.db2.gz CBDDVXBOXHILBG-DTORHVGOSA-N -1 0 316.310 -0.545 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CC(C)C)C[C@H]1C(=O)[O-] ZINC001598802979 1017424761 /nfs/dbraw/zinc/42/47/61/1017424761.db2.gz HYSCADFTYUTLSS-NXEZZACHSA-N -1 0 314.338 -0.567 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC2(C)C)C[C@@H]1C(=O)[O-] ZINC001598802537 1017424920 /nfs/dbraw/zinc/42/49/20/1017424920.db2.gz DGQGLUDLCGRNHZ-DTWKUNHWSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCc2nc(C)no2)C[C@@H]1C(=O)[O-] ZINC001598809690 1017426122 /nfs/dbraw/zinc/42/61/22/1017426122.db2.gz IXKVMXGZKXAZSQ-IUCAKERBSA-N -1 0 311.294 -0.357 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1C(=O)[O-] ZINC001598807457 1017426256 /nfs/dbraw/zinc/42/62/56/1017426256.db2.gz AOJJDKNGWJGCTJ-RKDXNWHRSA-N -1 0 301.295 -0.528 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1C(=O)[O-] ZINC001598809978 1017426498 /nfs/dbraw/zinc/42/64/98/1017426498.db2.gz JFSOMEBLMRDVJQ-NEPJUHHUSA-N -1 0 323.349 -0.007 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CC2OCCCO2)C[C@@H]1C(=O)[O-] ZINC001598807454 1017426569 /nfs/dbraw/zinc/42/65/69/1017426569.db2.gz AOJJDKNGWJGCTJ-IUCAKERBSA-N -1 0 301.295 -0.528 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C2(C(=O)NC3CC3)CC2)C[C@H]1C(=O)[O-] ZINC001598809420 1017426729 /nfs/dbraw/zinc/42/67/29/1017426729.db2.gz SAGVGTWOGZPOIV-ZJUUUORDSA-N -1 0 324.333 -0.623 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCC2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598808453 1017427144 /nfs/dbraw/zinc/42/71/44/1017427144.db2.gz MAFSQYYOYXVWCM-QWRGUYRKSA-N -1 0 314.338 -0.072 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N2CCSCC2)C[C@@H]1C(=O)[O-] ZINC001598812362 1017428679 /nfs/dbraw/zinc/42/86/79/1017428679.db2.gz ZZBMALCESCOEFM-IUCAKERBSA-N -1 0 302.352 -0.039 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2cc(OC)n[nH]2)C[C@@H]1C(=O)[O-] ZINC001598814861 1017428900 /nfs/dbraw/zinc/42/89/00/1017428900.db2.gz JNNUFLFSKXFYMG-NKWVEPMBSA-N -1 0 312.282 -0.244 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@@H]1C(=O)[O-] ZINC001598812064 1017429160 /nfs/dbraw/zinc/42/91/60/1017429160.db2.gz PGPWFJSDBVPXDF-VHSXEESVSA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@@H]1C(=O)[O-] ZINC001598811180 1017429233 /nfs/dbraw/zinc/42/92/33/1017429233.db2.gz YUEZITNMNVIWJC-XHNCKOQMSA-N -1 0 322.321 -0.443 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2COC[C@@H]2C)C[C@H]1C(=O)[O-] ZINC001598810785 1017429531 /nfs/dbraw/zinc/42/95/31/1017429531.db2.gz VWFKOSZIYSLCCX-SGIHWFKDSA-N -1 0 300.311 -0.464 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](NC=O)C(C)C)C[C@@H]1C(=O)[O-] ZINC001598814668 1017429542 /nfs/dbraw/zinc/42/95/42/1017429542.db2.gz LWTNPENRSIEUSL-AEJSXWLSSA-N -1 0 300.311 -0.911 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1C(=O)[O-] ZINC001598812067 1017429572 /nfs/dbraw/zinc/42/95/72/1017429572.db2.gz PGPWFJSDBVPXDF-ZJUUUORDSA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2cncnc2OC)C[C@H]1C(=O)[O-] ZINC001598814771 1017429683 /nfs/dbraw/zinc/42/96/83/1017429683.db2.gz MVSLCLPPPYOFSL-SFYZADRCSA-N -1 0 324.293 -0.177 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)C1 ZINC001598812122 1017429780 /nfs/dbraw/zinc/42/97/80/1017429780.db2.gz CBYKJTYVHWMELZ-UTINFBMNSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@H]1C(=O)[O-] ZINC001598815308 1017430993 /nfs/dbraw/zinc/43/09/93/1017430993.db2.gz ORJGLFWRQNCDMA-MXWKQRLJSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2cnn(C)c2)C[C@@H]1C(=O)[O-] ZINC001598815130 1017431382 /nfs/dbraw/zinc/43/13/82/1017431382.db2.gz KPLGLFKORIXTAR-VHSXEESVSA-N -1 0 310.310 -0.565 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2ccncc2F)C[C@@H]1C(=O)[O-] ZINC001598815857 1017431400 /nfs/dbraw/zinc/43/14/00/1017431400.db2.gz PRTUHAQRPAHFEU-YUMQZZPRSA-N -1 0 311.269 -0.020 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2conc2C)C[C@@H]1C(=O)[O-] ZINC001598816809 1017431846 /nfs/dbraw/zinc/43/18/46/1017431846.db2.gz RXOOWUZRRSAELO-UWVGGRQHSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2cnsn2)C[C@@H]1C(=O)[O-] ZINC001598814928 1017432074 /nfs/dbraw/zinc/43/20/74/1017432074.db2.gz NBEZWRWQCQEXTN-NTSWFWBYSA-N -1 0 300.296 -0.124 20 0 DBADRM COC(=O)[C@@H]1CN(C(=S)NC2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598819799 1017433001 /nfs/dbraw/zinc/43/30/01/1017433001.db2.gz PZVANFGEATXVDW-VHSXEESVSA-N -1 0 316.379 -0.155 20 0 DBADRM COC(=O)[C@@H]1CN([C@@H](C)c2nnnn2C2CC2)C[C@@H]1C(=O)[O-] ZINC001598820923 1017433213 /nfs/dbraw/zinc/43/32/13/1017433213.db2.gz WJUGJBLGYKKZQK-UJNFCWOMSA-N -1 0 309.326 -0.125 20 0 DBADRM COC(=O)[C@H]1CN(C(=S)NC2CCOCC2)C[C@H]1C(=O)[O-] ZINC001598819802 1017433347 /nfs/dbraw/zinc/43/33/47/1017433347.db2.gz PZVANFGEATXVDW-ZJUUUORDSA-N -1 0 316.379 -0.155 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1C(=O)[O-] ZINC001598822670 1017433418 /nfs/dbraw/zinc/43/34/18/1017433418.db2.gz RNTJCYHZLHYPOK-RKDXNWHRSA-N -1 0 307.306 -0.225 20 0 DBADRM COC(=O)[C@H]1CN(C)CCN(C(=O)c2cncc(C(=O)[O-])c2)C1 ZINC001598820211 1017433458 /nfs/dbraw/zinc/43/34/58/1017433458.db2.gz SEMPNMQUAYDNQQ-LBPRGKRZSA-N -1 0 321.333 -0.043 20 0 DBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1ccc(C(=O)[O-])o1 ZINC001598820438 1017433906 /nfs/dbraw/zinc/43/39/06/1017433906.db2.gz SOKQNBUXSNNLQF-ZETCQYMHSA-N -1 0 310.262 -0.566 20 0 DBADRM COC(=O)[C@H]1CS(=O)(=O)CCN1CC1(CC(=O)[O-])CC1 ZINC001598823322 1017434414 /nfs/dbraw/zinc/43/44/14/1017434414.db2.gz CEWPYKOWKYCTOR-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H](O)c1cccc(OC)c1)C(=O)[O-] ZINC001598836381 1017439141 /nfs/dbraw/zinc/43/91/41/1017439141.db2.gz BAQXCSCYNYFUIU-ZYHUDNBSSA-N -1 0 311.290 -0.139 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CC1CCN(OC)CC1)C(=O)[O-] ZINC001598836679 1017439297 /nfs/dbraw/zinc/43/92/97/1017439297.db2.gz GFEPVTOXMACOEI-SNVBAGLBSA-N -1 0 302.327 -0.218 20 0 DBADRM COC(=O)C[C@H](NC(=O)/C=C\c1cnc(OC)nc1)C(=O)[O-] ZINC001598836368 1017439642 /nfs/dbraw/zinc/43/96/42/1017439642.db2.gz ATGLRTSJNNKCDK-TYRPZCRBSA-N -1 0 309.278 -0.369 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)N2CC[C@H](C)C2)C[C@H]1C(=O)[O-] ZINC001598828894 1017439776 /nfs/dbraw/zinc/43/97/76/1017439776.db2.gz YWPWCFWPWCYTEF-IVZWLZJFSA-N -1 0 320.367 -0.621 20 0 DBADRM COC(=O)C[C@@H](NC(=O)/C=C\c1cnc(OC)nc1)C(=O)[O-] ZINC001598836369 1017440192 /nfs/dbraw/zinc/44/01/92/1017440192.db2.gz ATGLRTSJNNKCDK-ZBJFTSOASA-N -1 0 309.278 -0.369 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cscn2)C[C@H]1C(=O)[O-] ZINC001598830094 1017440242 /nfs/dbraw/zinc/44/02/42/1017440242.db2.gz XBGLHIZTIBTRLJ-RNFRBKRXSA-N -1 0 320.348 -0.363 20 0 DBADRM COC(=O)C[C@@H](C)CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001598836269 1017440478 /nfs/dbraw/zinc/44/04/78/1017440478.db2.gz YWPGZPJFJQTSRD-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)C[C@H](NC(=O)C1CN(CC(F)(F)F)C1)C(=O)[O-] ZINC001598836633 1017440711 /nfs/dbraw/zinc/44/07/11/1017440711.db2.gz FAHJQWWUNUXGMD-ZETCQYMHSA-N -1 0 312.244 -0.387 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H](O)c1cccc(OC)c1)C(=O)[O-] ZINC001598836379 1017440720 /nfs/dbraw/zinc/44/07/20/1017440720.db2.gz BAQXCSCYNYFUIU-JQWIXIFHSA-N -1 0 311.290 -0.139 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cccc(NC(N)=O)c1)C(=O)[O-] ZINC001598838842 1017441789 /nfs/dbraw/zinc/44/17/89/1017441789.db2.gz QAEKIBBJZLCKJB-VIFPVBQESA-N -1 0 309.278 -0.077 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CC[C@@]1(C)CCC(=O)N1)C(=O)[O-] ZINC001598838194 1017442300 /nfs/dbraw/zinc/44/23/00/1017442300.db2.gz UNHUYEUDTRYAAZ-OQPBUACISA-N -1 0 300.311 -0.432 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H]1CCc2cnn(C)c2C1)C(=O)[O-] ZINC001598839971 1017442623 /nfs/dbraw/zinc/44/26/23/1017442623.db2.gz YEPHYSDDQLBXFC-SCZZXKLOSA-N -1 0 309.322 -0.343 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cncc(-n2ccnn2)c1)C(=O)[O-] ZINC001598838626 1017442796 /nfs/dbraw/zinc/44/27/96/1017442796.db2.gz DLBSRNAASHUISM-JTQLQIEISA-N -1 0 319.277 -0.592 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001598840562 1017442841 /nfs/dbraw/zinc/44/28/41/1017442841.db2.gz QEYNPOJUSWHPGS-MRVPVSSYSA-N -1 0 324.289 -0.637 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)Nc1cc(C(=O)[O-])nn1C ZINC001598839254 1017442915 /nfs/dbraw/zinc/44/29/15/1017442915.db2.gz JQBKPYUIOJLRJA-LURJTMIESA-N -1 0 300.271 -0.836 20 0 DBADRM COC(=O)CC1CC([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001598846145 1017443777 /nfs/dbraw/zinc/44/37/77/1017443777.db2.gz NKFAWPUXSRHMMP-UHFFFAOYSA-N -1 0 318.307 -0.007 20 0 DBADRM COC(=O)C[C@H]1CSCCN1CN1C[C@@H](C(=O)[O-])CC1=O ZINC001598845019 1017443800 /nfs/dbraw/zinc/44/38/00/1017443800.db2.gz XYMWMSKIKBMHOB-UWVGGRQHSA-N -1 0 316.379 -0.143 20 0 DBADRM COC(=O)C[C@H]1COCCN1Cn1nc(C(=O)[O-])ccc1=O ZINC001598844264 1017444701 /nfs/dbraw/zinc/44/47/01/1017444701.db2.gz GHJCFGHIVAEFFE-VIFPVBQESA-N -1 0 311.294 -0.837 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])CC1 ZINC001598842500 1017444828 /nfs/dbraw/zinc/44/48/28/1017444828.db2.gz GKOFVVMGBMKARN-SCZZXKLOSA-N -1 0 321.351 -0.509 20 0 DBADRM COC(=O)C[C@H](O)CNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001598841992 1017444840 /nfs/dbraw/zinc/44/48/40/1017444840.db2.gz VYCOGHWXFYVEIF-VIFPVBQESA-N -1 0 317.319 -0.413 20 0 DBADRM COC(=O)CC[C@@H](C(=O)[O-])N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001598846621 1017445158 /nfs/dbraw/zinc/44/51/58/1017445158.db2.gz JIMXTBBCECNIHL-NSHDSACASA-N -1 0 315.370 -0.901 20 0 DBADRM COC(=O)C[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CC2)CCO1 ZINC001598845140 1017445604 /nfs/dbraw/zinc/44/56/04/1017445604.db2.gz JRTTVDLUEUYPEO-VIFPVBQESA-N -1 0 321.351 -0.555 20 0 DBADRM COC(=O)CCCCCS(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001598850375 1017446829 /nfs/dbraw/zinc/44/68/29/1017446829.db2.gz DLTXYERUKUYOOU-LBPRGKRZSA-N -1 0 323.367 -0.429 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001598852538 1017447692 /nfs/dbraw/zinc/44/76/92/1017447692.db2.gz UAYWUZDFACGDNY-SCZZXKLOSA-N -1 0 309.340 -0.821 20 0 DBADRM COC(=O)CCCNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001598852591 1017448205 /nfs/dbraw/zinc/44/82/05/1017448205.db2.gz XGNRPLUYSKMAHA-UHFFFAOYSA-N -1 0 303.315 -0.780 20 0 DBADRM COC(=O)CCCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001598850232 1017448740 /nfs/dbraw/zinc/44/87/40/1017448740.db2.gz FQSYXBODITWSGS-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CCc2nnc(C)n2C1)C(=O)[O-] ZINC001598856102 1017449573 /nfs/dbraw/zinc/44/95/73/1017449573.db2.gz QWWPOAGLTVQKFO-NXEZZACHSA-N -1 0 324.337 -0.328 20 0 DBADRM COC(=O)CCN1CCC[C@H](Nc2ccn(CC(=O)[O-])n2)C1=O ZINC001598854122 1017450831 /nfs/dbraw/zinc/45/08/31/1017450831.db2.gz RHVMVAGDRVMXIB-JTQLQIEISA-N -1 0 324.337 -0.066 20 0 DBADRM COC(=O)CCN1CCC[C@@H](OC(=O)C2(C(=O)[O-])CC2)C1=O ZINC001598854342 1017450995 /nfs/dbraw/zinc/45/09/95/1017450995.db2.gz XJZYIKFFVVCKIF-SECBINFHSA-N -1 0 313.306 -0.052 20 0 DBADRM O=C(NCC=CCNCc1cscn1)c1n[nH]c(=O)[n-]c1=O ZINC001497627147 1017451175 /nfs/dbraw/zinc/45/11/75/1017451175.db2.gz PPEFVCVBQQDWBG-OWOJBTEDSA-N -1 0 322.350 -0.185 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CCc2nncn2CC1 ZINC001598860904 1017452645 /nfs/dbraw/zinc/45/26/45/1017452645.db2.gz VCIRCLYCMMEHTF-SECBINFHSA-N -1 0 310.310 -0.683 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](O)c1ccccc1OC ZINC001598861256 1017453009 /nfs/dbraw/zinc/45/30/09/1017453009.db2.gz QSHINDHKEPJYMY-ZDUSSCGKSA-N -1 0 311.290 -0.185 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001598860880 1017453017 /nfs/dbraw/zinc/45/30/17/1017453017.db2.gz STJJYAASRFGOAV-SECBINFHSA-N -1 0 310.310 -0.765 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cn2cccnc2n1)C(=O)[O-] ZINC001598857752 1017453077 /nfs/dbraw/zinc/45/30/77/1017453077.db2.gz LWXONIIUTOAJIE-MRVPVSSYSA-N -1 0 306.278 -0.135 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001598860892 1017453764 /nfs/dbraw/zinc/45/37/64/1017453764.db2.gz UNZPRFXLQPNCRN-ZDUSSCGKSA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)CCC1CCOCC1 ZINC001598862800 1017455100 /nfs/dbraw/zinc/45/51/00/1017455100.db2.gz QUPGWSMNZHMGKF-UHFFFAOYSA-N -1 0 323.367 -0.308 20 0 DBADRM COC(=O)CN1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001598863481 1017455366 /nfs/dbraw/zinc/45/53/66/1017455366.db2.gz BINVFTBPNFTICL-UHFFFAOYSA-N -1 0 322.383 -0.782 20 0 DBADRM COC(=O)COCC(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@@H](OC)C1 ZINC001598864401 1017455923 /nfs/dbraw/zinc/45/59/23/1017455923.db2.gz IABJIZTXTPFWCN-CWSCBRNRSA-N -1 0 317.338 -0.049 20 0 DBADRM COC(=O)CN(CN1C[C@@H](C(=O)[O-])OC1=O)CC(F)(F)F ZINC001598863047 1017456091 /nfs/dbraw/zinc/45/60/91/1017456091.db2.gz QEBVEIJSIFLJNY-LURJTMIESA-N -1 0 314.216 -0.113 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cc1cn(C[C@H]2CCOC2)nn1 ZINC001598861876 1017456109 /nfs/dbraw/zinc/45/61/09/1017456109.db2.gz QUJFBZWPQDPISB-SNVBAGLBSA-N -1 0 312.326 -0.626 20 0 DBADRM COC(=O)CN(CCN1CCOCC1)c1ncc(C(=O)[O-])cn1 ZINC001598862833 1017456313 /nfs/dbraw/zinc/45/63/13/1017456313.db2.gz IQAZYYJJQXBMEF-UHFFFAOYSA-N -1 0 324.337 -0.514 20 0 DBADRM COC(=O)CNC(=O)COC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001598864684 1017456379 /nfs/dbraw/zinc/45/63/79/1017456379.db2.gz LECNDQBCBQJEEY-HYXAFXHYSA-N -1 0 311.246 -0.177 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)c1ccc(C(=O)[O-])n1C ZINC001598864604 1017456473 /nfs/dbraw/zinc/45/64/73/1017456473.db2.gz KGJKIHCPDRLOIS-ZETCQYMHSA-N -1 0 312.278 -0.442 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001598864108 1017456502 /nfs/dbraw/zinc/45/65/02/1017456502.db2.gz APSJYLMTALCYLZ-DTWKUNHWSA-N -1 0 300.311 -0.717 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1C(=O)C[C@@H](C)CC(=O)[O-] ZINC001598864532 1017456516 /nfs/dbraw/zinc/45/65/16/1017456516.db2.gz IYIFGKQEOMDBTH-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)CN1CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC001598864085 1017456559 /nfs/dbraw/zinc/45/65/59/1017456559.db2.gz ZWPRSVXTTUJZMQ-ZDUSSCGKSA-N -1 0 315.370 -0.998 20 0 DBADRM COC(=O)COCCNS(=O)(=O)c1occc1C(=O)[O-] ZINC001598865870 1017457558 /nfs/dbraw/zinc/45/75/58/1017457558.db2.gz NINQZAJRVWOUSJ-UHFFFAOYSA-N -1 0 307.280 -0.554 20 0 DBADRM COC(=O)CNC(=O)CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001598865672 1017457620 /nfs/dbraw/zinc/45/76/20/1017457620.db2.gz UVVNNJWTLGIVPU-GFCCVEGCSA-N -1 0 306.318 -0.040 20 0 DBADRM COC(=O)COCC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001598864759 1017457825 /nfs/dbraw/zinc/45/78/25/1017457825.db2.gz OJXINOYACZWQBW-RKDXNWHRSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)CNC(=O)CCNC(C)(C)c1nocc1C(=O)[O-] ZINC001598865705 1017457870 /nfs/dbraw/zinc/45/78/70/1017457870.db2.gz VRSJJXOBJWEDDY-UHFFFAOYSA-N -1 0 313.310 -0.123 20 0 DBADRM COC(=O)COCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001598865879 1017458012 /nfs/dbraw/zinc/45/80/12/1017458012.db2.gz NTNVILWTUVKOSB-UHFFFAOYSA-N -1 0 324.289 -0.371 20 0 DBADRM COC(=O)COc1cccc(C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001598866909 1017458294 /nfs/dbraw/zinc/45/82/94/1017458294.db2.gz FOSJPKPKSQVTEA-AWEZNQCLSA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001598865742 1017458990 /nfs/dbraw/zinc/45/89/90/1017458990.db2.gz WIAICBZRKMRTLK-HWKANZROSA-N -1 0 310.262 -0.604 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)[O-])cn1 ZINC001598865230 1017459056 /nfs/dbraw/zinc/45/90/56/1017459056.db2.gz PJNJMTJXHYJQST-SSDOTTSWSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)COCC(=O)NCc1c(C)nn(CC(=O)[O-])c1C ZINC001598865431 1017459148 /nfs/dbraw/zinc/45/91/48/1017459148.db2.gz IIYMWRBXTWSNNT-UHFFFAOYSA-N -1 0 313.310 -0.610 20 0 DBADRM COC(=O)N(C)CC(=O)N(CCC(=O)[O-])CC(OC)OC ZINC001598876621 1017459927 /nfs/dbraw/zinc/45/99/27/1017459927.db2.gz UCSGYKWICZUCAQ-UHFFFAOYSA-N -1 0 306.315 -0.393 20 0 DBADRM COC(=O)N(C)CCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001598877872 1017460387 /nfs/dbraw/zinc/46/03/87/1017460387.db2.gz YSMGUSBSMHONIJ-UHFFFAOYSA-N -1 0 323.352 -0.182 20 0 DBADRM COC(=O)Cn1ccc(N[C@@H]2CCCN(CCC(=O)[O-])C2=O)n1 ZINC001598875047 1017460597 /nfs/dbraw/zinc/46/05/97/1017460597.db2.gz OYSWPKSYRSGFNG-SNVBAGLBSA-N -1 0 324.337 -0.066 20 0 DBADRM COC(=O)C[C@@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@H]1C ZINC001598870134 1017460905 /nfs/dbraw/zinc/46/09/05/1017460905.db2.gz JKCQNSUQMOBXSR-NXEZZACHSA-N -1 0 322.383 -0.231 20 0 DBADRM COC(=O)Cn1cc(CN2CCSC[C@@H](C(=O)[O-])C2)nn1 ZINC001598876657 1017461468 /nfs/dbraw/zinc/46/14/68/1017461468.db2.gz UHDTUCIMSRABCU-VIFPVBQESA-N -1 0 314.367 -0.299 20 0 DBADRM COC(=O)Cn1cc(CCOC(=O)C23CC(C(=O)[O-])(C2)C3)nn1 ZINC001598876026 1017461602 /nfs/dbraw/zinc/46/16/02/1017461602.db2.gz MMHCFNRHKDYHFR-UHFFFAOYSA-N -1 0 323.305 -0.208 20 0 DBADRM COC(=O)N(C)CCNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001598877412 1017461682 /nfs/dbraw/zinc/46/16/82/1017461682.db2.gz IDFRWJYIHBSNOU-UHFFFAOYSA-N -1 0 311.294 -0.639 20 0 DBADRM COC(=O)C[C@@H](OC(=O)[C@@H]1CCC(=O)N1C(C)C)C(=O)[O-] ZINC001598869632 1017461803 /nfs/dbraw/zinc/46/18/03/1017461803.db2.gz XMRVKCMEOJHGCI-DTWKUNHWSA-N -1 0 301.295 -0.055 20 0 DBADRM COC(=O)NCCC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001598883126 1017463370 /nfs/dbraw/zinc/46/33/70/1017463370.db2.gz LEIIUJZULIAQTR-BDAKNGLRSA-N -1 0 316.310 -0.403 20 0 DBADRM COC(=O)N1CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001598882151 1017463498 /nfs/dbraw/zinc/46/34/98/1017463498.db2.gz QOTAYKVUEFWVMA-NXEZZACHSA-N -1 0 315.326 -0.430 20 0 DBADRM COC(=O)N1CCC(NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001598880843 1017463755 /nfs/dbraw/zinc/46/37/55/1017463755.db2.gz WLJPQJKLZOLKPK-WAAGHKOSSA-N -1 0 320.367 0.000 20 0 DBADRM COC(=O)N1CC(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001598879781 1017464045 /nfs/dbraw/zinc/46/40/45/1017464045.db2.gz PCKNCPUZCHDYFL-UHFFFAOYSA-N -1 0 315.307 -0.491 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001598890681 1017465583 /nfs/dbraw/zinc/46/55/83/1017465583.db2.gz ULQMTPWPDFDRRF-DTWKUNHWSA-N -1 0 300.311 -0.432 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)c1ccc(-n2cnnn2)cc1 ZINC001598891145 1017465637 /nfs/dbraw/zinc/46/56/37/1017465637.db2.gz VXEIKQRZCHEEGW-SNVBAGLBSA-N -1 0 320.261 -0.165 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)/C=C\c1ccc(C(N)=O)o1 ZINC001598889805 1017465849 /nfs/dbraw/zinc/46/58/49/1017465849.db2.gz DBNUJVCJPYQQNP-JVBZPZKUSA-N -1 0 324.289 -0.086 20 0 DBADRM COC(=O)NCCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001598883866 1017466298 /nfs/dbraw/zinc/46/62/98/1017466298.db2.gz VBOOMLGXIQTLEA-VIFPVBQESA-N -1 0 317.342 -0.536 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CCn1cnccc1=O ZINC001598889778 1017466490 /nfs/dbraw/zinc/46/64/90/1017466490.db2.gz CCVPFLFOSOAFMG-SECBINFHSA-N -1 0 311.294 -0.844 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001598884240 1017466721 /nfs/dbraw/zinc/46/67/21/1017466721.db2.gz QYFGIIPMAJAECX-MWODSPESSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)Cn1nnc2c1CCCC2 ZINC001598893051 1017467824 /nfs/dbraw/zinc/46/78/24/1017467824.db2.gz PSXCGYRMTGJLEZ-SNVBAGLBSA-N -1 0 324.337 -0.321 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1c(=O)cccc1C(=O)[O-])C(C)C ZINC001598894352 1017468406 /nfs/dbraw/zinc/46/84/06/1017468406.db2.gz QJSVOQQYMDYCLF-LBPRGKRZSA-N -1 0 310.306 -0.140 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598893338 1017468589 /nfs/dbraw/zinc/46/85/89/1017468589.db2.gz FMIOLEDKLGJLQA-ZIBATOQPSA-N -1 0 307.302 -0.105 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccnc2c1CC(=O)N2 ZINC001598891832 1017468665 /nfs/dbraw/zinc/46/86/65/1017468665.db2.gz ABHLLDIKSSTONQ-SECBINFHSA-N -1 0 321.289 -0.288 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001598896350 1017468941 /nfs/dbraw/zinc/46/89/41/1017468941.db2.gz BBYWWLZQCSFYLP-RQJHMYQMSA-N -1 0 317.323 -0.272 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCCCS1(=O)=O ZINC001598891278 1017469074 /nfs/dbraw/zinc/46/90/74/1017469074.db2.gz FPAYPSYHOYZXJK-RKDXNWHRSA-N -1 0 321.351 -0.524 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cn2cccnc2n1 ZINC001598892460 1017469121 /nfs/dbraw/zinc/46/91/21/1017469121.db2.gz POSBLRFXAFAHCU-MRVPVSSYSA-N -1 0 306.278 -0.135 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])C[C@H]1C ZINC001598896726 1017469398 /nfs/dbraw/zinc/46/93/98/1017469398.db2.gz FKACRRNZIDJFDK-YTWAJWBKSA-N -1 0 314.338 -0.073 20 0 DBADRM COC(=O)[C@@H]1CN(CN2CCO[C@H](CC(=O)[O-])C2)C(=O)O1 ZINC001598898382 1017470397 /nfs/dbraw/zinc/47/03/97/1017470397.db2.gz AOWCZQLDDLXHGQ-BDAKNGLRSA-N -1 0 302.283 -0.887 20 0 DBADRM COC(=O)[C@@H]1CO[C@H](CCC(=O)NC[C@](C)(O)C(=O)[O-])C1 ZINC001598900657 1017470508 /nfs/dbraw/zinc/47/05/08/1017470508.db2.gz WDXNBJMANLIEMK-RWEMILLDSA-N -1 0 303.311 -0.704 20 0 DBADRM COC(=O)[C@@H]1C[C@H](NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)[C@H]2C[C@H]21 ZINC001598902087 1017470950 /nfs/dbraw/zinc/47/09/50/1017470950.db2.gz DPEBOLZAEQNLQG-JXVKQMKBSA-N -1 0 317.363 -0.033 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)O1 ZINC001598897688 1017471530 /nfs/dbraw/zinc/47/15/30/1017471530.db2.gz JRAUMXZQGVBNLF-ZDCRXTMVSA-N -1 0 315.322 -0.440 20 0 DBADRM Cc1ccnn1CC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497694198 1017471507 /nfs/dbraw/zinc/47/15/07/1017471507.db2.gz RWHGAZCDAJHAJS-NSCUHMNNSA-N -1 0 305.342 -0.523 20 0 DBADRM COC(=O)[C@H](C)N(C)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001598901101 1017471882 /nfs/dbraw/zinc/47/18/82/1017471882.db2.gz JGJILTIVAWKMKX-ZETCQYMHSA-N -1 0 302.308 -0.038 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001598901159 1017472185 /nfs/dbraw/zinc/47/21/85/1017472185.db2.gz CQFVNADFUCVALL-DTWKUNHWSA-N -1 0 321.351 -0.509 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccnc(C(=O)[O-])c1 ZINC001598903555 1017473677 /nfs/dbraw/zinc/47/36/77/1017473677.db2.gz VSKOJKISSAKFAG-YUMQZZPRSA-N -1 0 323.305 -0.424 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)O1 ZINC001598906147 1017473900 /nfs/dbraw/zinc/47/39/00/1017473900.db2.gz OKBBQYKUUKMLAD-IMSIIYSGSA-N -1 0 315.322 -0.153 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001598907394 1017474696 /nfs/dbraw/zinc/47/46/96/1017474696.db2.gz ZUZNWHOAUDGGJR-HTQZYQBOSA-N -1 0 309.340 -0.965 20 0 DBADRM COC(=O)[C@H]1OCC[C@H]1CNC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001598908658 1017474861 /nfs/dbraw/zinc/47/48/61/1017474861.db2.gz BEVHTZKJSCPIGS-GUBZILKMSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H](CCF)C(=O)[O-] ZINC001598911867 1017477780 /nfs/dbraw/zinc/47/77/80/1017477780.db2.gz MMIAZAJMVKNJKG-ZCFIWIBFSA-N -1 0 323.302 -0.404 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])ccn1 ZINC001598919631 1017477867 /nfs/dbraw/zinc/47/78/67/1017477867.db2.gz GERRBBMVAXZCKW-YUMQZZPRSA-N -1 0 323.305 -0.424 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)NC1(C(=O)[O-])CC1 ZINC001598911956 1017478126 /nfs/dbraw/zinc/47/81/26/1017478126.db2.gz OXRSHLUWHNVIMP-UHFFFAOYSA-N -1 0 303.296 -0.600 20 0 DBADRM COC(=O)c1cc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c(C)o1 ZINC001598918726 1017478418 /nfs/dbraw/zinc/47/84/18/1017478418.db2.gz ZEEIJYIGJBSSLL-VIFPVBQESA-N -1 0 324.289 -0.258 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])cn1C ZINC001598954866 1017480059 /nfs/dbraw/zinc/48/00/59/1017480059.db2.gz OWLCRKQVOYIDRX-VXNVDRBHSA-N -1 0 316.335 -0.189 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cn1 ZINC001598957491 1017481091 /nfs/dbraw/zinc/48/10/91/1017481091.db2.gz IJZJNWJBOCZLPV-JTQLQIEISA-N -1 0 321.289 -0.717 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])nc1 ZINC001598958171 1017481132 /nfs/dbraw/zinc/48/11/32/1017481132.db2.gz VZUAMOGDHISMHG-WDEREUQCSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)c1cncc(S(=O)(=O)N[C@H](CF)C(=O)[O-])c1 ZINC001599011536 1017490396 /nfs/dbraw/zinc/49/03/96/1017490396.db2.gz YYRSOCFFWPODDS-MRVPVSSYSA-N -1 0 306.271 -0.431 20 0 DBADRM Cc1cc(CNCC=CCNC(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001497736001 1017482100 /nfs/dbraw/zinc/48/21/00/1017482100.db2.gz ZFROBSXGWXTRPB-IHWYPQMZSA-N -1 0 322.325 -0.552 20 0 DBADRM COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])n1C ZINC001598968950 1017482976 /nfs/dbraw/zinc/48/29/76/1017482976.db2.gz XWTVUSHQSXRZAC-SSDOTTSWSA-N -1 0 312.278 -0.442 20 0 DBADRM Cc1cc(CNCC=CCNC(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001497736004 1017483548 /nfs/dbraw/zinc/48/35/48/1017483548.db2.gz ZFROBSXGWXTRPB-NSCUHMNNSA-N -1 0 322.325 -0.552 20 0 DBADRM COC(=O)c1ccc(/C=C/C(=O)NCC(=O)NCC(=O)[O-])o1 ZINC001598972119 1017484164 /nfs/dbraw/zinc/48/41/64/1017484164.db2.gz ASFZQMPCLCYINO-HWKANZROSA-N -1 0 310.262 -0.604 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN2CCO[C@@H](C(=O)[O-])C2)n1 ZINC001599000202 1017484252 /nfs/dbraw/zinc/48/42/52/1017484252.db2.gz UBDJCQTZJPMVEV-SNVBAGLBSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)c1cccn(CC(=O)N2CC(C)(C(=O)[O-])C2)c1=O ZINC001599001366 1017484434 /nfs/dbraw/zinc/48/44/34/1017484434.db2.gz AVANZPJFCMZPDW-UHFFFAOYSA-N -1 0 308.290 -0.432 20 0 DBADRM COC(=O)c1ccc(CC(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC001598975085 1017484629 /nfs/dbraw/zinc/48/46/29/1017484629.db2.gz YBOKTDYHUPJRRA-NSHDSACASA-N -1 0 308.290 -0.277 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497747973 1017484705 /nfs/dbraw/zinc/48/47/05/1017484705.db2.gz FIATWZZVAADPRL-ARJAWSKDSA-N -1 0 319.369 -0.145 20 0 DBADRM COC(=O)c1cnc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cn1 ZINC001599007180 1017486018 /nfs/dbraw/zinc/48/60/18/1017486018.db2.gz FMHXWDLIHJTOIB-LBPRGKRZSA-N -1 0 311.319 -0.047 20 0 DBADRM COC(=O)c1ccn(CC(=O)NCCSCCC(=O)[O-])n1 ZINC001599004208 1017487114 /nfs/dbraw/zinc/48/71/14/1017487114.db2.gz GFSJOTDYVCZNMU-UHFFFAOYSA-N -1 0 315.351 -0.006 20 0 DBADRM COC(=O)c1cnc(C(=O)NCC2(C(=O)[O-])CCOCC2)cn1 ZINC001599007329 1017487128 /nfs/dbraw/zinc/48/71/28/1017487128.db2.gz HNSTVOMCIKMLSF-UHFFFAOYSA-N -1 0 323.305 -0.126 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])n1 ZINC001599004503 1017487182 /nfs/dbraw/zinc/48/71/82/1017487182.db2.gz KXZWXFRXDNKCGD-QMMMGPOBSA-N -1 0 317.248 -0.010 20 0 DBADRM COC(=O)c1ccnc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001599006777 1017487200 /nfs/dbraw/zinc/48/72/00/1017487200.db2.gz XQJDYHJXPAJXML-VHSXEESVSA-N -1 0 308.290 -0.224 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(Cc2cnc(C(=O)OC)cn2)n1 ZINC001599007400 1017487486 /nfs/dbraw/zinc/48/74/86/1017487486.db2.gz MNHXPTPTOGSNIT-UHFFFAOYSA-N -1 0 320.261 -0.007 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001599007593 1017487772 /nfs/dbraw/zinc/48/77/72/1017487772.db2.gz MILMZHCAACRFBA-VHSXEESVSA-N -1 0 309.278 -0.687 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(C)C ZINC001599055066 1017497874 /nfs/dbraw/zinc/49/78/74/1017497874.db2.gz APZLPJAOMWMQKF-LPEHRKFASA-N -1 0 324.399 -0.445 20 0 DBADRM COC(=O)c1cncc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])c1 ZINC001599010967 1017488659 /nfs/dbraw/zinc/48/86/59/1017488659.db2.gz LDDHJSGQOLQIED-SECBINFHSA-N -1 0 320.298 -0.041 20 0 DBADRM CO[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccnn1C)c1cnn(C)c1 ZINC001599024906 1017489403 /nfs/dbraw/zinc/48/94/03/1017489403.db2.gz DTSYMJAXSFMKFT-GHMZBOCLSA-N -1 0 307.310 -0.217 20 0 DBADRM CO[C@H](C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)[C@H]1CCOC1 ZINC001599023840 1017489725 /nfs/dbraw/zinc/48/97/25/1017489725.db2.gz SFEYHMLNWIPDPU-CHIMOYNISA-N -1 0 312.322 -0.130 20 0 DBADRM COC(=O)c1cnccc1C(=O)OCC(=O)NCCC(=O)[O-] ZINC001599010856 1017489982 /nfs/dbraw/zinc/48/99/82/1017489982.db2.gz BRAKXUBOJLYIIL-UHFFFAOYSA-N -1 0 310.262 -0.384 20 0 DBADRM CO[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-])C1CCC1 ZINC001599024226 1017490603 /nfs/dbraw/zinc/49/06/03/1017490603.db2.gz WQTOQEVREJWNTM-CMPLNLGQSA-N -1 0 319.379 -0.098 20 0 DBADRM COC(=O)c1cncc(CN2CC(=O)N(C)C[C@H]2C(=O)[O-])c1 ZINC001599011519 1017490632 /nfs/dbraw/zinc/49/06/32/1017490632.db2.gz YPDJWVDRZCFDRV-NSHDSACASA-N -1 0 307.306 -0.405 20 0 DBADRM CO[C@H](C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)[C@H]1CCOC1 ZINC001599023841 1017490706 /nfs/dbraw/zinc/49/07/06/1017490706.db2.gz SFEYHMLNWIPDPU-NURSFMCSSA-N -1 0 312.322 -0.130 20 0 DBADRM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CO ZINC001599019126 1017490813 /nfs/dbraw/zinc/49/08/13/1017490813.db2.gz CTEYXRQMVRMPIH-YFKPBYRVSA-N -1 0 323.348 -0.108 20 0 DBADRM CO[C@@](C)(CO)CNS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001599034701 1017492124 /nfs/dbraw/zinc/49/21/24/1017492124.db2.gz MBQQXQAREQTAEA-LLVKDONJSA-N -1 0 309.384 -0.052 20 0 DBADRM COC(C)(C)[C@H](C)NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599030759 1017492169 /nfs/dbraw/zinc/49/21/69/1017492169.db2.gz BDAFXVGXLFLDJX-GUBZILKMSA-N -1 0 316.354 -0.383 20 0 DBADRM CO[C@H](C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O)[C@H]1CCOC1 ZINC001599028959 1017492491 /nfs/dbraw/zinc/49/24/91/1017492491.db2.gz HEQORKYUPAZWLP-UMNHJUIQSA-N -1 0 315.322 -0.343 20 0 DBADRM CO[C@](C)(CO)CNS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001599034702 1017492522 /nfs/dbraw/zinc/49/25/22/1017492522.db2.gz MBQQXQAREQTAEA-NSHDSACASA-N -1 0 309.384 -0.052 20 0 DBADRM CO[C@](C)(C(=O)NC[C@H](O)CC(=O)[O-])C(=O)OC(C)(C)C ZINC001599031736 1017492733 /nfs/dbraw/zinc/49/27/33/1017492733.db2.gz MCSDJAIARMKXBB-AMIZOPFISA-N -1 0 305.327 -0.315 20 0 DBADRM CO[C@@H](C(=O)OCCc1cn(CC(=O)[O-])nn1)[C@H]1CCOC1 ZINC001599028461 1017493125 /nfs/dbraw/zinc/49/31/25/1017493125.db2.gz BQCUERKXZBFSOE-JOYOIKCWSA-N -1 0 313.310 -0.500 20 0 DBADRM COC(C)(C)CN(C)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001599032824 1017493246 /nfs/dbraw/zinc/49/32/46/1017493246.db2.gz PCVOITHGCSTNOA-NXEZZACHSA-N -1 0 316.354 -0.836 20 0 DBADRM CO[C@@](C)(C(=O)NCC[C@H](O)C(=O)[O-])C(=O)OC(C)(C)C ZINC001599031713 1017493377 /nfs/dbraw/zinc/49/33/77/1017493377.db2.gz KUWGFQMXUDFVFO-SDBXPKJASA-N -1 0 305.327 -0.315 20 0 DBADRM COC(C)(C)[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001599030777 1017493413 /nfs/dbraw/zinc/49/34/13/1017493413.db2.gz BIKPLXCNBODDCW-RKDXNWHRSA-N -1 0 302.327 -0.772 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)CCc1cn(C)nn1)OC ZINC001599045066 1017494321 /nfs/dbraw/zinc/49/43/21/1017494321.db2.gz AORIMJYLDFURAI-UHFFFAOYSA-N -1 0 314.342 -0.330 20 0 DBADRM CO[C@H](CC(C)C)CS(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC001599045636 1017494568 /nfs/dbraw/zinc/49/45/68/1017494568.db2.gz SCISYZWRIDSZIS-SECBINFHSA-N -1 0 310.372 -0.832 20 0 DBADRM CO[C@H](CCNC(=O)N1CC(O)(C(=O)[O-])C1)C(F)(F)F ZINC001599043632 1017494774 /nfs/dbraw/zinc/49/47/74/1017494774.db2.gz NDCWDHCLIYCYHQ-ZCFIWIBFSA-N -1 0 300.233 -0.205 20 0 DBADRM COC(CN(CCC(=O)[O-])CC(=O)Nc1cnccn1)OC ZINC001599047428 1017495441 /nfs/dbraw/zinc/49/54/41/1017495441.db2.gz DGTLZMSPBLIPIZ-UHFFFAOYSA-N -1 0 312.326 -0.189 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)C[C@H]1CCNC1=O)OC ZINC001599046403 1017495616 /nfs/dbraw/zinc/49/56/16/1017495616.db2.gz FWYJOFNGSFNGDG-SECBINFHSA-N -1 0 302.327 -0.565 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001599037575 1017496227 /nfs/dbraw/zinc/49/62/27/1017496227.db2.gz IASCOYKRFQVAOS-JTQLQIEISA-N -1 0 308.400 -0.168 20 0 DBADRM CO[C@H](CNC(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001599053053 1017497083 /nfs/dbraw/zinc/49/70/83/1017497083.db2.gz WFMDRFSJIQILOQ-GMTAPVOTSA-N -1 0 302.327 -0.467 20 0 DBADRM CO[C@H](CS(=O)(=O)NC1(CC(=O)[O-])CC1)[C@H]1CCOC1 ZINC001599056879 1017500520 /nfs/dbraw/zinc/50/05/20/1017500520.db2.gz OAIYVAXOHWPUFL-VHSXEESVSA-N -1 0 307.368 -0.035 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001599055416 1017498315 /nfs/dbraw/zinc/49/83/15/1017498315.db2.gz FWDACEXEOXCNAO-NAKRPEOUSA-N -1 0 307.368 -0.180 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C(C)C ZINC001599049065 1017498783 /nfs/dbraw/zinc/49/87/83/1017498783.db2.gz HVEJSFWFQHIRSA-VWYCJHECSA-N -1 0 316.354 -0.526 20 0 DBADRM CO[C@H](CS(=O)(=O)NC/C=C(\C)C(=O)[O-])[C@@H]1CCOC1 ZINC001599056300 1017498804 /nfs/dbraw/zinc/49/88/04/1017498804.db2.gz MRECYXJSOLFPRW-VIXUHMKYSA-N -1 0 307.368 -0.012 20 0 DBADRM CO[C@H](CS(=O)(=O)NC1(CC(=O)[O-])CC1)[C@@H]1CCOC1 ZINC001599056877 1017500063 /nfs/dbraw/zinc/50/00/63/1017500063.db2.gz OAIYVAXOHWPUFL-NXEZZACHSA-N -1 0 307.368 -0.035 20 0 DBADRM COC(OC)C(=O)N1CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC001599061111 1017500125 /nfs/dbraw/zinc/50/01/25/1017500125.db2.gz XOFRTYCIFAONHU-ZJUUUORDSA-N -1 0 314.338 -0.613 20 0 DBADRM COC(OC)C(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001599057080 1017500340 /nfs/dbraw/zinc/50/03/40/1017500340.db2.gz BXQBVRWTYAQPED-UHFFFAOYSA-N -1 0 310.310 -0.558 20 0 DBADRM CO[C@]1(C(=O)N2CC[C@](F)(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001599062483 1017500783 /nfs/dbraw/zinc/50/07/83/1017500783.db2.gz PUENWVGROSVZDH-GHMZBOCLSA-N -1 0 309.315 -0.785 20 0 DBADRM COC(OC)C(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-] ZINC001599059887 1017501112 /nfs/dbraw/zinc/50/11/12/1017501112.db2.gz OCSQGFZTAWEZJT-JGVFFNPUSA-N -1 0 320.367 -0.514 20 0 DBADRM CO[C@@H](Cn1cnc2c(cnn2CC(=O)[O-])c1=O)[C@H]1CCOC1 ZINC001599059960 1017501357 /nfs/dbraw/zinc/50/13/57/1017501357.db2.gz OOIXUGHFNHGXHA-ONGXEEELSA-N -1 0 322.321 -0.271 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCCSC)C1 ZINC001599066365 1017502838 /nfs/dbraw/zinc/50/28/38/1017502838.db2.gz CKVIRCGBDHOJDA-GFCCVEGCSA-N -1 0 304.368 -0.442 20 0 DBADRM COC1(C(=O)NC2(C(=O)[O-])CCSCC2)CS(=O)(=O)C1 ZINC001599064593 1017502856 /nfs/dbraw/zinc/50/28/56/1017502856.db2.gz FUTGMGIUFUPIAB-UHFFFAOYSA-N -1 0 323.392 -0.733 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(F)(F)C2)C1 ZINC001599065876 1017502891 /nfs/dbraw/zinc/50/28/91/1017502891.db2.gz JJNVZHHOEMYMNA-NSHDSACASA-N -1 0 306.265 -0.444 20 0 DBADRM COC1(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)CS(=O)(=O)C1 ZINC001599064965 1017502971 /nfs/dbraw/zinc/50/29/71/1017502971.db2.gz PIQPCVGENBXSHA-NSHDSACASA-N -1 0 305.352 -0.440 20 0 DBADRM COC1(C(=O)N[C@@H](C(=O)[O-])c2cccs2)CS(=O)(=O)C1 ZINC001599064974 1017503182 /nfs/dbraw/zinc/50/31/82/1017503182.db2.gz PXEOXZKBKIQPQO-MRVPVSSYSA-N -1 0 319.360 -0.196 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](CF)C2)C1 ZINC001599064925 1017503308 /nfs/dbraw/zinc/50/33/08/1017503308.db2.gz DCBHKFMGEXFGRM-RNCFNFMXSA-N -1 0 302.302 -0.494 20 0 DBADRM COC1(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)CS(=O)(=O)C1 ZINC001599064964 1017503557 /nfs/dbraw/zinc/50/35/57/1017503557.db2.gz PIQPCVGENBXSHA-LLVKDONJSA-N -1 0 305.352 -0.440 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCCSCC2)C1 ZINC001599065969 1017503732 /nfs/dbraw/zinc/50/37/32/1017503732.db2.gz KLGIHKHCEHWAHG-ZDUSSCGKSA-N -1 0 316.379 -0.346 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@H]2CCCOC2)C1 ZINC001599068559 1017504231 /nfs/dbraw/zinc/50/42/31/1017504231.db2.gz ZAEIHINPPAGZEL-QMTHXVAHSA-N -1 0 314.338 -0.769 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@]2(C)CCOC2)C1 ZINC001599067272 1017504485 /nfs/dbraw/zinc/50/44/85/1017504485.db2.gz RRUOFMNSGQCQSN-KGLIPLIRSA-N -1 0 314.338 -0.769 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccc(O)cc2)C1 ZINC001599067546 1017504516 /nfs/dbraw/zinc/50/45/16/1017504516.db2.gz BSOYKNLKOAAEBO-OAHLLOKOSA-N -1 0 322.317 -0.176 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CCSc2nnnn2C)C1 ZINC001599069051 1017504592 /nfs/dbraw/zinc/50/45/92/1017504592.db2.gz VYSRJFUKCCGFSA-LLVKDONJSA-N -1 0 315.355 -0.606 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCC(C)(C)F)C1 ZINC001599066992 1017504823 /nfs/dbraw/zinc/50/48/23/1017504823.db2.gz IOXFPPSFXGEXCM-CYBMUJFWSA-N -1 0 304.318 -0.057 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](C3CC3)C2)C1 ZINC001599068173 1017504856 /nfs/dbraw/zinc/50/48/56/1017504856.db2.gz WUSGBFNEGXJXIZ-IAQYHMDHSA-N -1 0 310.350 -0.053 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](C3CC3)C2)C1 ZINC001599068174 1017505092 /nfs/dbraw/zinc/50/50/92/1017505092.db2.gz WUSGBFNEGXJXIZ-NHYWBVRUSA-N -1 0 310.350 -0.053 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@]2(C)CCCO2)C1 ZINC001599066828 1017505247 /nfs/dbraw/zinc/50/52/47/1017505247.db2.gz OHMIZVLRVOHMMN-UONOGXRCSA-N -1 0 314.338 -0.626 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccnc2F)C1 ZINC001599069266 1017505370 /nfs/dbraw/zinc/50/53/70/1017505370.db2.gz OUSJRODUISFWRI-CYBMUJFWSA-N -1 0 311.269 -0.139 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccc(O)cc2)C1 ZINC001599067544 1017505811 /nfs/dbraw/zinc/50/58/11/1017505811.db2.gz BSOYKNLKOAAEBO-HNNXBMFYSA-N -1 0 322.317 -0.176 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2COC(C)(C)C2)C1 ZINC001599068442 1017505887 /nfs/dbraw/zinc/50/58/87/1017505887.db2.gz YJOAUOPVGGMAPO-XPTSAGLGSA-N -1 0 314.338 -0.628 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001599071959 1017506829 /nfs/dbraw/zinc/50/68/29/1017506829.db2.gz ZLDSQZIDCXNKCS-SKDRFNHKSA-N -1 0 320.367 -0.599 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001599070332 1017507772 /nfs/dbraw/zinc/50/77/72/1017507772.db2.gz LGJLXIQVLCTLLJ-QMTHXVAHSA-N -1 0 313.354 -0.119 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnnn2CCOC2CCC2)C1 ZINC001599080049 1017508990 /nfs/dbraw/zinc/50/89/90/1017508990.db2.gz FTJPDUFQILGZEV-ZDUSSCGKSA-N -1 0 311.342 -0.078 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(N)c(C)c2)C1 ZINC001599079064 1017509189 /nfs/dbraw/zinc/50/91/89/1017509189.db2.gz NUHGYCJDVSHQJM-LBPRGKRZSA-N -1 0 315.351 -0.164 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN([C@H]2CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC001599076362 1017509756 /nfs/dbraw/zinc/50/97/56/1017509756.db2.gz MMNGLKFEDNCMDA-WRWORJQWSA-N -1 0 324.255 -0.148 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)N(C)C2CCOCC2)C1 ZINC001599078824 1017510414 /nfs/dbraw/zinc/51/04/14/1017510414.db2.gz MWKRCMOTKNTRHU-GFCCVEGCSA-N -1 0 322.383 -0.483 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(Cc2nnc(S(C)(=O)=O)s2)C1 ZINC001599078315 1017511280 /nfs/dbraw/zinc/51/12/80/1017511280.db2.gz HBDNPPZGTJVOTQ-SNVBAGLBSA-N -1 0 321.380 -0.383 20 0 DBADRM COC1(C(=O)OC2CCC(C(=O)[O-])CC2)CS(=O)(=O)C1 ZINC001599081949 1017512272 /nfs/dbraw/zinc/51/22/72/1017512272.db2.gz VCWOWFBTINOXKX-UHFFFAOYSA-N -1 0 306.336 -0.013 20 0 DBADRM CO[C@@]1(C)CCCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001599088973 1017512484 /nfs/dbraw/zinc/51/24/84/1017512484.db2.gz ZIRXJMRHIKDHSQ-ZANVPECISA-N -1 0 304.318 -0.057 20 0 DBADRM COC1(CS(=O)(=O)N[C@H](C(=O)[O-])C2CC2)CCOCC1 ZINC001599092658 1017512968 /nfs/dbraw/zinc/51/29/68/1017512968.db2.gz ZSAOYAHVCCYXAX-JTQLQIEISA-N -1 0 307.368 -0.035 20 0 DBADRM CO[C@]1(CNS(=O)(=O)CC2(C(=O)[O-])CCC2)CCOC1 ZINC001599090983 1017513478 /nfs/dbraw/zinc/51/34/78/1017513478.db2.gz WUUSOPHJIAJBSI-LBPRGKRZSA-N -1 0 307.368 -0.034 20 0 DBADRM COC1(CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCOCC1 ZINC001599090348 1017513551 /nfs/dbraw/zinc/51/35/51/1017513551.db2.gz VFXPUMJXSVPFHQ-GHMZBOCLSA-N -1 0 316.354 -0.029 20 0 DBADRM COC1(OC)CCN(C(=O)c2cc(C(=O)[O-])on2)C[C@@H]1O ZINC001599094939 1017514647 /nfs/dbraw/zinc/51/46/47/1017514647.db2.gz NOMAHEIPYYBKKT-VIFPVBQESA-N -1 0 300.267 -0.431 20 0 DBADRM CO[C@@H]1CC[C@H](NC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001599101625 1017514775 /nfs/dbraw/zinc/51/47/75/1017514775.db2.gz BMMASDWVRJKWDJ-JGVFFNPUSA-N -1 0 310.310 -0.260 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@H](NS(=O)(=O)C2COC2)C(=O)[O-])C1 ZINC001599112600 1017514918 /nfs/dbraw/zinc/51/49/18/1017514918.db2.gz MKKILSYDWSWJAH-NGZCFLSTSA-N -1 0 307.368 -0.037 20 0 DBADRM COC1CC(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)C1 ZINC001599094376 1017515010 /nfs/dbraw/zinc/51/50/10/1017515010.db2.gz QXWMLDOXIKTLDN-UHFFFAOYSA-N -1 0 308.338 -0.060 20 0 DBADRM COC1(OC)CCN(C(=O)c2cc(C(=O)[O-])nn2C)C[C@H]1O ZINC001599096171 1017515677 /nfs/dbraw/zinc/51/56/77/1017515677.db2.gz XAGZEPSXPNLRNF-SNVBAGLBSA-N -1 0 313.310 -0.686 20 0 DBADRM COC1(OC)CC(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC001599096134 1017515725 /nfs/dbraw/zinc/51/57/25/1017515725.db2.gz RECGYNVBIOVOOH-JTQLQIEISA-N -1 0 302.327 -0.120 20 0 DBADRM CO[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)C1 ZINC001599116486 1017516084 /nfs/dbraw/zinc/51/60/84/1017516084.db2.gz WYGXAETVTMUCSK-GMTAPVOTSA-N -1 0 314.338 -0.676 20 0 DBADRM CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NCCC(=O)[O-])[C@H]2C1 ZINC001599102869 1017516118 /nfs/dbraw/zinc/51/61/18/1017516118.db2.gz KMKLIGRSUWZEED-WOPDTQHZSA-N -1 0 300.355 -0.154 20 0 DBADRM CO[C@@H]1CC[C@H]2OCCN(CC(=O)NCCC(=O)[O-])[C@H]2C1 ZINC001599102863 1017516154 /nfs/dbraw/zinc/51/61/54/1017516154.db2.gz KMKLIGRSUWZEED-GRYCIOLGSA-N -1 0 300.355 -0.154 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)CSCC(N)=O)C(=O)[O-])C1 ZINC001599105778 1017516665 /nfs/dbraw/zinc/51/66/65/1017516665.db2.gz HBGJGJCNAHFLDU-SBMIAAHKSA-N -1 0 318.395 -0.021 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)[C@H](C(=O)[O-])C1 ZINC001599118877 1017517642 /nfs/dbraw/zinc/51/76/42/1017517642.db2.gz GNLLVDMCFCGANU-AEJSXWLSSA-N -1 0 305.352 -0.488 20 0 DBADRM COC1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])CC1 ZINC001599117469 1017517684 /nfs/dbraw/zinc/51/76/84/1017517684.db2.gz HHOUGEXTYKPWLV-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM CO[C@@H]1CCN(C(=O)CCN2CCOCC2)[C@H](C(=O)[O-])C1 ZINC001599120708 1017517846 /nfs/dbraw/zinc/51/78/46/1017517846.db2.gz XCFWAKMTIHNITC-NEPJUHHUSA-N -1 0 300.355 -0.201 20 0 DBADRM COC1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)CC1 ZINC001599117197 1017518432 /nfs/dbraw/zinc/51/84/32/1017518432.db2.gz WVSXOSNOLJUTQA-FEUHOPSXSA-N -1 0 310.350 -0.007 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@H]2CCN=C3C2=NNN3C)[C@@H](C(=O)[O-])C1 ZINC001599120487 1017518529 /nfs/dbraw/zinc/51/85/29/1017518529.db2.gz ROYXJDQDZIFDDD-KXUCPTDWSA-N -1 0 323.353 -0.699 20 0 DBADRM CO[C@H]1CCN(C(=O)CNC(=O)c2ccncc2)[C@@H](C(=O)[O-])C1 ZINC001599120106 1017518836 /nfs/dbraw/zinc/51/88/36/1017518836.db2.gz UIDYDMWFCUXZJR-NWDGAFQWSA-N -1 0 321.333 -0.098 20 0 DBADRM CO[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)C1 ZINC001599116488 1017518855 /nfs/dbraw/zinc/51/88/55/1017518855.db2.gz WYGXAETVTMUCSK-OUAUKWLOSA-N -1 0 314.338 -0.676 20 0 DBADRM CO[C@@H]1CCN(C(=O)CCn2cnccc2=O)[C@H](C(=O)[O-])C1 ZINC001599120375 1017518893 /nfs/dbraw/zinc/51/88/93/1017518893.db2.gz VTGAGYBYEINZMU-MNOVXSKESA-N -1 0 309.322 -0.276 20 0 DBADRM COC1CCN(S(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)CC1 ZINC001599125380 1017519976 /nfs/dbraw/zinc/51/99/76/1017519976.db2.gz YHUUUYSIXMWIKV-GFCCVEGCSA-N -1 0 322.383 -0.577 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)CCCOC(C)=O)[C@@H](C(=O)[O-])C1 ZINC001599123788 1017520465 /nfs/dbraw/zinc/52/04/65/1017520465.db2.gz MRKRHUQVIHVFMZ-WDEREUQCSA-N -1 0 323.367 -0.167 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)CCCOC(C)=O)[C@H](C(=O)[O-])C1 ZINC001599123787 1017521225 /nfs/dbraw/zinc/52/12/25/1017521225.db2.gz MRKRHUQVIHVFMZ-QWRGUYRKSA-N -1 0 323.367 -0.167 20 0 DBADRM CO[C@H]1CN(Cc2nnc3c(=O)n(C)ccn23)[C@@](C)(C(=O)[O-])C1 ZINC001599130861 1017521634 /nfs/dbraw/zinc/52/16/34/1017521634.db2.gz AIFCNOKTGJNASQ-YMTOWFKASA-N -1 0 321.337 -0.508 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)c2cn(C)cn2)[C@H](C(=O)[O-])C1 ZINC001599127896 1017521819 /nfs/dbraw/zinc/52/18/19/1017521819.db2.gz ZLVNHKHEJHUUDK-BDAKNGLRSA-N -1 0 303.340 -0.327 20 0 DBADRM CO[C@H]1CN(C(=O)CCn2cnccc2=O)[C@](C)(C(=O)[O-])C1 ZINC001599132975 1017521898 /nfs/dbraw/zinc/52/18/98/1017521898.db2.gz HKGNBIIXLWLBJI-YGRLFVJLSA-N -1 0 309.322 -0.276 20 0 DBADRM CO[C@@H]1CN(C(=O)Cn2nnnc2C(C)C)[C@@](C)(C(=O)[O-])C1 ZINC001599128771 1017521926 /nfs/dbraw/zinc/52/19/26/1017521926.db2.gz AUCLGLFBHOSAIQ-TVQRCGJNSA-N -1 0 311.342 -0.113 20 0 DBADRM CO[C@@H]1CN(C(=O)Cn2cc([C@H](C)O)nn2)[C@@](C)(C(=O)[O-])C1 ZINC001599135901 1017523567 /nfs/dbraw/zinc/52/35/67/1017523567.db2.gz XRFQBPPOLFAJAG-MWODSPESSA-N -1 0 312.326 -0.578 20 0 DBADRM CO[C@H]1COCC[C@@H]1CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001599136941 1017523769 /nfs/dbraw/zinc/52/37/69/1017523769.db2.gz ASWCFPIHGMDHSU-JLLWLGSASA-N -1 0 311.338 -0.037 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599137591 1017523876 /nfs/dbraw/zinc/52/38/76/1017523876.db2.gz HBBSEMRGWDOCCP-WDEREUQCSA-N -1 0 316.354 -0.475 20 0 DBADRM CO[C@@H]1CN(C(=O)Cn2cc([C@H](C)O)nn2)[C@](C)(C(=O)[O-])C1 ZINC001599135904 1017524106 /nfs/dbraw/zinc/52/41/06/1017524106.db2.gz XRFQBPPOLFAJAG-RVBZMBCESA-N -1 0 312.326 -0.578 20 0 DBADRM COCC(=O)N1C[C@@H](C)[C@@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001599139273 1017526031 /nfs/dbraw/zinc/52/60/31/1017526031.db2.gz JIJKTCZFDWHNLJ-ZJUUUORDSA-N -1 0 308.338 -0.251 20 0 DBADRM COCC(=O)N1CCN(C(=O)c2ccoc2CC(=O)[O-])CC1 ZINC001599139974 1017526185 /nfs/dbraw/zinc/52/61/85/1017526185.db2.gz SOMOHLURNVRKHB-UHFFFAOYSA-N -1 0 310.306 -0.163 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccoc1CC(=O)[O-] ZINC001599140383 1017526246 /nfs/dbraw/zinc/52/62/46/1017526246.db2.gz OWHIHKPWLISINS-WPRPVWTQSA-N -1 0 317.319 -0.552 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001599139243 1017526350 /nfs/dbraw/zinc/52/63/50/1017526350.db2.gz KZYGGWMWFPBXKB-NXEZZACHSA-N -1 0 310.372 -0.627 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599137893 1017526403 /nfs/dbraw/zinc/52/64/03/1017526403.db2.gz DYDNXSUEFMXMMU-APPZFPTMSA-N -1 0 317.319 -0.172 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001599137650 1017526780 /nfs/dbraw/zinc/52/67/80/1017526780.db2.gz HLWOKUAWYIPFIL-OUAUKWLOSA-N -1 0 314.338 -0.818 20 0 DBADRM COCC(=O)N[C@H](C(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F)C(C)C ZINC001599143275 1017527715 /nfs/dbraw/zinc/52/77/15/1017527715.db2.gz XWEJCRUBIZAVKV-QNSHHTMESA-N -1 0 322.308 -0.144 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccccc1C(=O)[O-] ZINC001599141529 1017528900 /nfs/dbraw/zinc/52/89/00/1017528900.db2.gz WJZNPDDNZLIQAL-GHMZBOCLSA-N -1 0 313.331 -0.073 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001599141678 1017529030 /nfs/dbraw/zinc/52/90/30/1017529030.db2.gz YGTPLQQMDUKBGB-GARJFASQSA-N -1 0 314.338 -0.770 20 0 DBADRM COCC(=O)N[C@]1(CO)CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001599142640 1017529240 /nfs/dbraw/zinc/52/92/40/1017529240.db2.gz KGGLDUQAEAZEAX-CQSZACIVSA-N -1 0 324.337 -0.731 20 0 DBADRM COCC(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CCOCC1 ZINC001599142498 1017529253 /nfs/dbraw/zinc/52/92/53/1017529253.db2.gz CYSPMKOLWLELHK-UHFFFAOYSA-N -1 0 324.337 -0.680 20 0 DBADRM COCC(=O)NCCC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC001599143536 1017529865 /nfs/dbraw/zinc/52/98/65/1017529865.db2.gz WIPAOLRESQUTDS-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)c1cc(C(=O)OC)nn1C ZINC001599147812 1017529941 /nfs/dbraw/zinc/52/99/41/1017529941.db2.gz SAYLTRJOVGJQCZ-ZDUSSCGKSA-N -1 0 313.310 -0.184 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(C(=O)OC)nn1C ZINC001599147811 1017530504 /nfs/dbraw/zinc/53/05/04/1017530504.db2.gz SAYLTRJOVGJQCZ-CYBMUJFWSA-N -1 0 313.310 -0.184 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CCS(=O)(=O)N(C)C ZINC001599147431 1017530564 /nfs/dbraw/zinc/53/05/64/1017530564.db2.gz WSMVJMVGRGHJOU-LLVKDONJSA-N -1 0 310.372 -0.736 20 0 DBADRM COCC(=O)NC[C@@H]1CN(c2ncc(C(=O)[O-])cn2)CCCO1 ZINC001599143564 1017530638 /nfs/dbraw/zinc/53/06/38/1017530638.db2.gz XLWARHDEFQUFID-LLVKDONJSA-N -1 0 324.337 -0.467 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001599147836 1017531145 /nfs/dbraw/zinc/53/11/45/1017531145.db2.gz UKQMNFRXYMGKMH-SKDRFNHKSA-N -1 0 322.383 -0.305 20 0 DBADRM COCC(C)(C)C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001599143951 1017531161 /nfs/dbraw/zinc/53/11/61/1017531161.db2.gz MWFQACCLULNWLI-NXEZZACHSA-N -1 0 300.355 -0.046 20 0 DBADRM COC[C@](C)(NS(=O)(=O)CC1(C(=O)OC)CC1)C(=O)[O-] ZINC001599154987 1017531903 /nfs/dbraw/zinc/53/19/03/1017531903.db2.gz CSHXHFWGKNJHTK-JTQLQIEISA-N -1 0 309.340 -0.651 20 0 DBADRM COC[C@](C)(NC(=O)c1cnc2ccc(OC)nn21)C(=O)[O-] ZINC001599153038 1017532229 /nfs/dbraw/zinc/53/22/29/1017532229.db2.gz QUFNQNPIWZKKRS-ZDUSSCGKSA-N -1 0 308.294 -0.043 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-] ZINC001599154955 1017532514 /nfs/dbraw/zinc/53/25/14/1017532514.db2.gz BYWDJVMMKBWJGB-GFCCVEGCSA-N -1 0 316.335 -0.447 20 0 DBADRM COC[C@@](C)(NC(=O)c1oc(S(N)(=O)=O)cc1C)C(=O)[O-] ZINC001599153964 1017532571 /nfs/dbraw/zinc/53/25/71/1017532571.db2.gz FOEMTSDUBUYNPY-LLVKDONJSA-N -1 0 320.323 -0.545 20 0 DBADRM COC[C@](C)(NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(=O)OC ZINC001599155271 1017532711 /nfs/dbraw/zinc/53/27/11/1017532711.db2.gz PPDSLDYOQQOLBO-PTRXPTGYSA-N -1 0 323.367 -0.263 20 0 DBADRM COC[C@](C)(NC(=O)CN1CCCCS1(=O)=O)C(=O)[O-] ZINC001599153268 1017533082 /nfs/dbraw/zinc/53/30/82/1017533082.db2.gz LLJJQGONQQSFGR-NSHDSACASA-N -1 0 308.356 -0.982 20 0 DBADRM COC[C@@H](C)n1nnnc1N1C[C@@H]2COCC[C@]2(C(=O)[O-])C1 ZINC001599160877 1017534289 /nfs/dbraw/zinc/53/42/89/1017534289.db2.gz NCYWETFEHIJFQL-BREBYQMCSA-N -1 0 311.342 -0.192 20 0 DBADRM COC[C@H](C)CS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599159685 1017534535 /nfs/dbraw/zinc/53/45/35/1017534535.db2.gz FVDRIEAZLDMPPZ-CIUDSAMLSA-N -1 0 310.372 -0.834 20 0 DBADRM COC[C@](C)(O)CNC(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC001599156756 1017534966 /nfs/dbraw/zinc/53/49/66/1017534966.db2.gz QFGWZKKSQBRNGE-GFCCVEGCSA-N -1 0 316.335 -0.102 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001599156550 1017535067 /nfs/dbraw/zinc/53/50/67/1017535067.db2.gz MHNOIIKFZQRNHV-CKYFFXLPSA-N -1 0 309.384 -0.053 20 0 DBADRM COC[C@@H](C)n1ccc(NC(=O)C(=O)NC2(C(=O)[O-])CC2)n1 ZINC001599161790 1017535086 /nfs/dbraw/zinc/53/50/86/1017535086.db2.gz SVYKOANFAJLDSF-MRVPVSSYSA-N -1 0 310.310 -0.238 20 0 DBADRM COC[C@H]([C@H]1CCCO1)N1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC001599158312 1017535161 /nfs/dbraw/zinc/53/51/61/1017535161.db2.gz ADUIQIIMBHVNLO-ISUQUUIWSA-N -1 0 312.322 -0.179 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CCOC[C@H]1CC(=O)[O-] ZINC001599162400 1017535341 /nfs/dbraw/zinc/53/53/41/1017535341.db2.gz VWAQUIBTHBWDSJ-NXEZZACHSA-N -1 0 317.342 -0.977 20 0 DBADRM COC[C@@H](C)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001599156904 1017535758 /nfs/dbraw/zinc/53/57/58/1017535758.db2.gz MRCYDEMZJDMJPK-AXFHLTTASA-N -1 0 300.355 -0.046 20 0 DBADRM COCC(COC)S(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001599164968 1017538124 /nfs/dbraw/zinc/53/81/24/1017538124.db2.gz CCLUHGUPGAPXRD-PSASIEDQSA-N -1 0 311.356 -0.849 20 0 DBADRM COC[C@H](CNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)OC ZINC001599163194 1017537017 /nfs/dbraw/zinc/53/70/17/1017537017.db2.gz AWGBHWLKLHWFAM-ZANVPECISA-N -1 0 315.326 -0.337 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)OC ZINC001599163792 1017537184 /nfs/dbraw/zinc/53/71/84/1017537184.db2.gz VGIVUYGUCTWZMP-GMTAPVOTSA-N -1 0 316.354 -0.667 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001599164539 1017537410 /nfs/dbraw/zinc/53/74/10/1017537410.db2.gz MORGRBCDLFNGOR-VIFPVBQESA-N -1 0 307.299 -0.191 20 0 DBADRM COC[C@@H](CCNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)OC ZINC001599163042 1017537450 /nfs/dbraw/zinc/53/74/50/1017537450.db2.gz VPWPXZHCAXXWKQ-MXWKQRLJSA-N -1 0 304.343 -0.079 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1)C(=O)[O-] ZINC001599165388 1017537830 /nfs/dbraw/zinc/53/78/30/1017537830.db2.gz CXGMGZRMSLFNGL-NTZNESFSSA-N -1 0 321.333 -0.183 20 0 DBADRM COC[C@@H](CO)NC(=O)C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001599163957 1017537889 /nfs/dbraw/zinc/53/78/89/1017537889.db2.gz BHBXDKYAYHANFQ-SSDOTTSWSA-N -1 0 316.335 -0.183 20 0 DBADRM COCC(COC)S(=O)(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001599166126 1017539387 /nfs/dbraw/zinc/53/93/87/1017539387.db2.gz LUMJUROLBJTXBS-UHFFFAOYSA-N -1 0 318.351 -0.139 20 0 DBADRM COC[C@@H](NC(=O)[C@](C)(O)Cn1c(C)cccc1=O)C(=O)[O-] ZINC001599167299 1017539414 /nfs/dbraw/zinc/53/94/14/1017539414.db2.gz RGARUIPQLSJKSL-QMTHXVAHSA-N -1 0 312.322 -0.876 20 0 DBADRM COC[C@H](NC(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1)C(=O)[O-] ZINC001599166838 1017539421 /nfs/dbraw/zinc/53/94/21/1017539421.db2.gz HHJNDEVJFVTMGR-DCAQKATOSA-N -1 0 317.338 -0.097 20 0 DBADRM COC[C@@H](NC(=O)[C@H](C)Sc1nnnn1C1CC1)C(=O)[O-] ZINC001599165942 1017539589 /nfs/dbraw/zinc/53/95/89/1017539589.db2.gz HOLZPOWTDWHTDI-POYBYMJQSA-N -1 0 315.355 -0.296 20 0 DBADRM COCC(COC)S(=O)(=O)N[C@](C)(CCF)C(=O)[O-] ZINC001599166964 1017539597 /nfs/dbraw/zinc/53/95/97/1017539597.db2.gz SJWGXPSOTZLJAV-SNVBAGLBSA-N -1 0 301.336 -0.230 20 0 DBADRM COC[C@H](CS(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])OC ZINC001599167294 1017539761 /nfs/dbraw/zinc/53/97/61/1017539761.db2.gz VGAVSTYLOQULEE-RQJHMYQMSA-N -1 0 323.289 -0.027 20 0 DBADRM COC[C@@H](Cn1nnnc1N1CCO[C@@H](C(=O)[O-])C1)C(C)C ZINC001599168537 1017539778 /nfs/dbraw/zinc/53/97/78/1017539778.db2.gz AWBCIBWLOLZCHP-GHMZBOCLSA-N -1 0 313.358 -0.119 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC001599165794 1017539806 /nfs/dbraw/zinc/53/98/06/1017539806.db2.gz KAQFQUXLTGWCQZ-VIFPVBQESA-N -1 0 310.306 -0.245 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CCc2nnc(C3CC3)n2C1)C(=O)[O-] ZINC001599168210 1017540054 /nfs/dbraw/zinc/54/00/54/1017540054.db2.gz VHCHXXLRZVXWIG-UWVGGRQHSA-N -1 0 308.338 -0.066 20 0 DBADRM COC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC001599165793 1017540117 /nfs/dbraw/zinc/54/01/17/1017540117.db2.gz KAQFQUXLTGWCQZ-SECBINFHSA-N -1 0 310.306 -0.245 20 0 DBADRM COC[C@H](NC(=O)[C@H](C)n1cnc2c1ncnc2N)C(=O)[O-] ZINC001599167981 1017540220 /nfs/dbraw/zinc/54/02/20/1017540220.db2.gz YGYYJCSWQKIHDH-BQBZGAKWSA-N -1 0 308.298 -0.815 20 0 DBADRM COCC(COC)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001599165981 1017540457 /nfs/dbraw/zinc/54/04/57/1017540457.db2.gz YYSKONLIUFUKGE-AWEZNQCLSA-N -1 0 302.371 -0.491 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1)C(=O)[O-] ZINC001599172795 1017541345 /nfs/dbraw/zinc/54/13/45/1017541345.db2.gz CXGMGZRMSLFNGL-DMDPSCGWSA-N -1 0 321.333 -0.183 20 0 DBADRM COC[C@@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-] ZINC001599174402 1017541514 /nfs/dbraw/zinc/54/15/14/1017541514.db2.gz LABXVRSGQCYCGV-SECBINFHSA-N -1 0 307.262 -0.954 20 0 DBADRM COC[C@H](NC(=O)N1CC(O)(C(=O)[O-])C1)[C@@H]1CCCOC1 ZINC001599170576 1017541652 /nfs/dbraw/zinc/54/16/52/1017541652.db2.gz UUTTYWKWWOIOFG-ZJUUUORDSA-N -1 0 302.327 -0.731 20 0 DBADRM COC[C@H](Cn1nnnc1N1CC[C@H](C(=O)[O-])[C@H](C)C1)OC ZINC001599170052 1017541771 /nfs/dbraw/zinc/54/17/71/1017541771.db2.gz QXKHOPMJIAUALR-VWYCJHECSA-N -1 0 313.358 -0.119 20 0 DBADRM COC[C@@H](N[C@H](C(=O)[O-])c1cccc(C(=O)OC)c1)C(N)=O ZINC001599173891 1017541915 /nfs/dbraw/zinc/54/19/15/1017541915.db2.gz SWXGZGWTDPHOLI-MNOVXSKESA-N -1 0 310.306 -0.311 20 0 DBADRM COC[C@@H](NC(=O)c1cn(C)c2c(cnn2C)c1=O)C(=O)[O-] ZINC001599175281 1017541993 /nfs/dbraw/zinc/54/19/93/1017541993.db2.gz GBBLIEKIMXONBQ-SECBINFHSA-N -1 0 308.294 -0.899 20 0 DBADRM COC[C@H](NC(=O)CCn1c2ccccc2n(C)c1=O)C(=O)[O-] ZINC001599168889 1017542257 /nfs/dbraw/zinc/54/22/57/1017542257.db2.gz KNQHKCJYZZVMSY-JTQLQIEISA-N -1 0 321.333 -0.054 20 0 DBADRM COC[C@@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)C(N)=O ZINC001599170823 1017542317 /nfs/dbraw/zinc/54/23/17/1017542317.db2.gz BSIKILCMZKIMNL-ZCFIWIBFSA-N -1 0 302.312 -0.608 20 0 DBADRM COC[C@H](NC(=O)CCOc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC001599169055 1017542393 /nfs/dbraw/zinc/54/23/93/1017542393.db2.gz PQJHDQFNZJAHQA-NSHDSACASA-N -1 0 310.306 -0.230 20 0 DBADRM COC[C@H](NC(=O)c1cnc2cc(C)ccn2c1=O)C(=O)[O-] ZINC001599175361 1017542433 /nfs/dbraw/zinc/54/24/33/1017542433.db2.gz HYMZPPHLQJQWCC-JTQLQIEISA-N -1 0 305.290 -0.168 20 0 DBADRM COC[C@H](O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001599177775 1017543392 /nfs/dbraw/zinc/54/33/92/1017543392.db2.gz FBFGYXLZQXVREE-SECBINFHSA-N -1 0 313.310 -0.825 20 0 DBADRM COC[C@@H](NC(=O)c1oc(S(N)(=O)=O)cc1C)C(=O)[O-] ZINC001599176160 1017543423 /nfs/dbraw/zinc/54/34/23/1017543423.db2.gz XAEUVEQGIAPXHJ-ZCFIWIBFSA-N -1 0 306.296 -0.935 20 0 DBADRM COC[C@@H](O)CCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001599179934 1017543467 /nfs/dbraw/zinc/54/34/67/1017543467.db2.gz YIVHWTZNBHDSEJ-QMMMGPOBSA-N -1 0 304.324 -0.545 20 0 DBADRM COC[C@@H](NC(=O)c1csc(S(C)(=O)=O)c1)C(=O)[O-] ZINC001599176004 1017543577 /nfs/dbraw/zinc/54/35/77/1017543577.db2.gz UBBRECBCDVXZJC-SSDOTTSWSA-N -1 0 307.349 -0.019 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1C)C(=O)OC ZINC001599176984 1017544157 /nfs/dbraw/zinc/54/41/57/1017544157.db2.gz FYCOUZVMTLVYTB-ZETCQYMHSA-N -1 0 321.307 -0.247 20 0 DBADRM COC[C@@H](NC(=O)c1cn(Cc2ccccn2)nn1)C(=O)[O-] ZINC001599175367 1017544255 /nfs/dbraw/zinc/54/42/55/1017544255.db2.gz ICZXBXDSTTVXAO-LLVKDONJSA-N -1 0 305.294 -0.449 20 0 DBADRM COC[C@@H](OC(=O)CSc1nnnn1C1CC1)C(=O)[O-] ZINC001599179782 1017544535 /nfs/dbraw/zinc/54/45/35/1017544535.db2.gz AVGOTDGTDDBMCL-SSDOTTSWSA-N -1 0 302.312 -0.257 20 0 DBADRM COC[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@H]1CCCO1 ZINC001599178022 1017544578 /nfs/dbraw/zinc/54/45/78/1017544578.db2.gz UZMIKRHUPNRBLN-DTWKUNHWSA-N -1 0 319.339 -0.420 20 0 DBADRM COC[C@@H](OC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C(=O)[O-] ZINC001599180378 1017544885 /nfs/dbraw/zinc/54/48/85/1017544885.db2.gz KSFVIAOWTJDBSG-DOLQZWNJSA-N -1 0 306.336 -0.015 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCCN1C(=O)CN(C)S(C)(=O)=O ZINC001599182745 1017546229 /nfs/dbraw/zinc/54/62/29/1017546229.db2.gz INSCEDDBRJGPES-LBPRGKRZSA-N -1 0 322.383 -0.640 20 0 DBADRM COC[C@@H](OC)C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001599187237 1017546499 /nfs/dbraw/zinc/54/64/99/1017546499.db2.gz PBRPPABCRHECLF-SNVBAGLBSA-N -1 0 303.311 -0.486 20 0 DBADRM COC[C@H](OC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC001599181119 1017546753 /nfs/dbraw/zinc/54/67/53/1017546753.db2.gz GLWWSOJWOYQDSW-QMMMGPOBSA-N -1 0 323.261 -0.710 20 0 DBADRM COC[C@H](OC(=O)c1cn(Cc2ccccn2)nn1)C(=O)[O-] ZINC001599182210 1017547145 /nfs/dbraw/zinc/54/71/45/1017547145.db2.gz MQJAGOMLVNQBFT-NSHDSACASA-N -1 0 306.278 -0.022 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001599182495 1017547807 /nfs/dbraw/zinc/54/78/07/1017547807.db2.gz OLILJRBQMHDQCQ-GHMZBOCLSA-N -1 0 324.337 -0.469 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CS(=O)(=O)C1CC1 ZINC001599189624 1017549012 /nfs/dbraw/zinc/54/90/12/1017549012.db2.gz AKHUIFCSRQBHEA-GFCCVEGCSA-N -1 0 305.352 -0.344 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)Cc1nnc(N)s1 ZINC001599189948 1017549080 /nfs/dbraw/zinc/54/90/80/1017549080.db2.gz DULMEOUQJAZWNH-LLVKDONJSA-N -1 0 300.340 -0.245 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2C[C@@H](C)O[C@@H](C(=O)[O-])C2)C1=O ZINC001599195093 1017550458 /nfs/dbraw/zinc/55/04/58/1017550458.db2.gz MBEHGVPMRXOWNY-KKFJDGPESA-N -1 0 315.326 -0.925 20 0 DBADRM COCC1(S(=O)(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CC1 ZINC001599202091 1017550572 /nfs/dbraw/zinc/55/05/72/1017550572.db2.gz QOIQCPUGCCFMPB-NSHDSACASA-N -1 0 318.351 -0.199 20 0 DBADRM COC[C@]1(CO)CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001599200499 1017550817 /nfs/dbraw/zinc/55/08/17/1017550817.db2.gz FTTMUJQANJHDSK-LLVKDONJSA-N -1 0 319.339 -0.873 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CCC1 ZINC001599201662 1017550861 /nfs/dbraw/zinc/55/08/61/1017550861.db2.gz KOHZDMCUBQHWLN-IUCAKERBSA-N -1 0 322.383 -0.547 20 0 DBADRM COC[C@@]1(C)CN([C@H]2CCN(CCC(=O)[O-])C2=O)CCO1 ZINC001599195818 1017550907 /nfs/dbraw/zinc/55/09/07/1017550907.db2.gz WIPVBBAAHAGUER-SMDDNHRTSA-N -1 0 300.355 -0.201 20 0 DBADRM COCC1(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])CCC1 ZINC001599202204 1017551433 /nfs/dbraw/zinc/55/14/33/1017551433.db2.gz XFNAJUARWQKMKZ-NXEZZACHSA-N -1 0 307.368 -0.205 20 0 DBADRM COC[C@@H]1CN(Cn2nc(C(=O)[O-])cc2C(=O)OC)CCO1 ZINC001599205001 1017552937 /nfs/dbraw/zinc/55/29/37/1017552937.db2.gz HDVFNUWEINGWGY-VIFPVBQESA-N -1 0 313.310 -0.327 20 0 DBADRM COC[C@@H]1CN([C@H]2CCN(CCC(=O)[O-])C2=O)C[C@H](C)O1 ZINC001599206078 1017553196 /nfs/dbraw/zinc/55/31/96/1017553196.db2.gz ZCWOZTNYTHBXRA-SRVKXCTJSA-N -1 0 300.355 -0.202 20 0 DBADRM COC[C@H]1CNCCN1S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599207315 1017553229 /nfs/dbraw/zinc/55/32/29/1017553229.db2.gz JRVYMZRISZQHHA-SECBINFHSA-N -1 0 318.351 -0.105 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)NCCCCC(=O)[O-])C[C@H](C)O1 ZINC001599206368 1017553346 /nfs/dbraw/zinc/55/33/46/1017553346.db2.gz IPTVHJCVHFZNIJ-QWRGUYRKSA-N -1 0 316.354 -0.380 20 0 DBADRM COC[C@@H]1CN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C[C@H](C)O1 ZINC001599205952 1017553834 /nfs/dbraw/zinc/55/38/34/1017553834.db2.gz VJMDLFVUDVKJNE-QWRGUYRKSA-N -1 0 324.333 -0.191 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)NCCCCC(=O)[O-])C[C@@H](C)O1 ZINC001599206367 1017553865 /nfs/dbraw/zinc/55/38/65/1017553865.db2.gz IPTVHJCVHFZNIJ-MNOVXSKESA-N -1 0 316.354 -0.380 20 0 DBADRM COC[C@@H]1CN([C@H]2CCN(CCC(=O)[O-])C2=O)C[C@@H](C)O1 ZINC001599206079 1017553977 /nfs/dbraw/zinc/55/39/77/1017553977.db2.gz ZCWOZTNYTHBXRA-WOPDTQHZSA-N -1 0 300.355 -0.202 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001599211771 1017554989 /nfs/dbraw/zinc/55/49/89/1017554989.db2.gz JYNWYEDRPCROIZ-LLVKDONJSA-N -1 0 308.400 -0.167 20 0 DBADRM COC[C@H]1CNCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001599208673 1017555255 /nfs/dbraw/zinc/55/52/55/1017555255.db2.gz XZAXJJXOJQFKAL-SSDOTTSWSA-N -1 0 321.380 -0.550 20 0 DBADRM COCC[C@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001599209797 1017555434 /nfs/dbraw/zinc/55/54/34/1017555434.db2.gz OWIVIKUDGGNQHR-JTQLQIEISA-N -1 0 307.328 -0.826 20 0 DBADRM COC[C@H]1COCCN1Cn1nc(C(=O)[O-])cc1C(=O)OC ZINC001599208692 1017555618 /nfs/dbraw/zinc/55/56/18/1017555618.db2.gz YOVIXEWAONBYTR-VIFPVBQESA-N -1 0 313.310 -0.327 20 0 DBADRM COCC[C@H](NC(=O)CCC(=O)N1CCOCC1)C(=O)[O-] ZINC001599214862 1017555632 /nfs/dbraw/zinc/55/56/32/1017555632.db2.gz MHMFXVJVSVERKU-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM COCC[C@H](NC(=O)C(C)(C)S(=O)(=O)C1CC1)C(=O)[O-] ZINC001599212171 1017555704 /nfs/dbraw/zinc/55/57/04/1017555704.db2.gz FMQSJOXMFIMKLT-VIFPVBQESA-N -1 0 307.368 -0.052 20 0 DBADRM COCC[C@H](C)NC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599210316 1017555810 /nfs/dbraw/zinc/55/58/10/1017555810.db2.gz IEGULZHIYOQLTC-ONGXEEELSA-N -1 0 316.354 -0.788 20 0 DBADRM COCC[C@@H](NC(=O)COCc1nnc(C)s1)C(=O)[O-] ZINC001599214154 1017555853 /nfs/dbraw/zinc/55/58/53/1017555853.db2.gz DAJDJNPIUDTKSM-MRVPVSSYSA-N -1 0 303.340 -0.031 20 0 DBADRM COCC[C@@H](CO)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001599211801 1017556096 /nfs/dbraw/zinc/55/60/96/1017556096.db2.gz KCFJKADTNOGBNY-QMMMGPOBSA-N -1 0 302.283 -0.597 20 0 DBADRM COCC[C@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001599213008 1017556267 /nfs/dbraw/zinc/55/62/67/1017556267.db2.gz XAIMKVRZPFKTFY-GFCCVEGCSA-N -1 0 324.333 -0.234 20 0 DBADRM COCC[C@@H](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001599217649 1017557350 /nfs/dbraw/zinc/55/73/50/1017557350.db2.gz LRFQOQKSIWLAEN-VHSXEESVSA-N -1 0 320.367 -0.841 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)C(N)=O ZINC001599218573 1017557367 /nfs/dbraw/zinc/55/73/67/1017557367.db2.gz IXBRIDCINBOKER-ZCFIWIBFSA-N -1 0 322.364 -0.385 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)C(N)=O ZINC001599218154 1017557583 /nfs/dbraw/zinc/55/75/83/1017557583.db2.gz GHYJPLHJUALPIV-LURJTMIESA-N -1 0 306.296 -0.854 20 0 DBADRM COCC[C@@H]1COCCN1C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001599221114 1017558011 /nfs/dbraw/zinc/55/80/11/1017558011.db2.gz JZZPRQOKMTXFHX-TUAOUCFPSA-N -1 0 316.354 -0.077 20 0 DBADRM COCC[C@H](NC(=O)c1cncc(-n2ccnn2)c1)C(=O)[O-] ZINC001599217422 1017558185 /nfs/dbraw/zinc/55/81/85/1017558185.db2.gz GASGUUPFUXTWGQ-NSHDSACASA-N -1 0 305.294 -0.118 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(N)=O ZINC001599218588 1017558353 /nfs/dbraw/zinc/55/83/53/1017558353.db2.gz JKIWIAGAYIFBDQ-SSDOTTSWSA-N -1 0 320.323 -0.545 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(N)=O ZINC001599218889 1017558439 /nfs/dbraw/zinc/55/84/39/1017558439.db2.gz MHKVXJVXDYYBQZ-SSDOTTSWSA-N -1 0 322.364 -0.385 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1cnc(N)c(C)c1)C(=O)[O-] ZINC001599216619 1017558455 /nfs/dbraw/zinc/55/84/55/1017558455.db2.gz DGSAKYHULIXQCM-SECBINFHSA-N -1 0 303.340 -0.260 20 0 DBADRM COCC[C@@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)C(=O)[O-] ZINC001599215308 1017558488 /nfs/dbraw/zinc/55/84/88/1017558488.db2.gz KBPARVWAMBKJDW-SECBINFHSA-N -1 0 305.352 -0.583 20 0 DBADRM COCC[C@H](NC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1)C(=O)[O-] ZINC001599215789 1017558886 /nfs/dbraw/zinc/55/88/86/1017558886.db2.gz RHMNZWBNABZWNE-JQWIXIFHSA-N -1 0 324.337 -0.173 20 0 DBADRM COCCCOCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001599226707 1017559883 /nfs/dbraw/zinc/55/98/83/1017559883.db2.gz GPHFJGXYYKPIST-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM COCCCn1nccc1CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001599228780 1017560916 /nfs/dbraw/zinc/56/09/16/1017560916.db2.gz AHQJHYNTIBWDOY-LBPRGKRZSA-N -1 0 310.354 -0.305 20 0 DBADRM COCCCN1CC(CCO)(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599222654 1017561102 /nfs/dbraw/zinc/56/11/02/1017561102.db2.gz BWOPLDLMKXOMMY-WDEREUQCSA-N -1 0 300.355 -0.703 20 0 DBADRM COCCCCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001599224796 1017561486 /nfs/dbraw/zinc/56/14/86/1017561486.db2.gz VWRJLMQDSUPHQI-JOYOIKCWSA-N -1 0 307.368 -0.193 20 0 DBADRM COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)CC(=O)[O-])C1 ZINC001599232153 1017562758 /nfs/dbraw/zinc/56/27/58/1017562758.db2.gz KZNLUGAZVRCKIS-JTQLQIEISA-N -1 0 322.383 -0.640 20 0 DBADRM COCCN([C@H]1CCOC1)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001599230759 1017564170 /nfs/dbraw/zinc/56/41/70/1017564170.db2.gz ADIBUVDKTOPEEW-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM COCCN(CC(=O)N(C)C)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001599233310 1017564827 /nfs/dbraw/zinc/56/48/27/1017564827.db2.gz IHLVJDNLGOFREE-UHFFFAOYSA-N -1 0 322.383 -0.640 20 0 DBADRM COCCCn1cc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])cn1 ZINC001599230374 1017565254 /nfs/dbraw/zinc/56/52/54/1017565254.db2.gz SGWYXMZUGCFLEX-NSHDSACASA-N -1 0 324.337 -0.713 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1nnn2cc(C)[nH]c(=O)c12 ZINC001599236151 1017566454 /nfs/dbraw/zinc/56/64/54/1017566454.db2.gz GSXXHILKUTUYLS-UHFFFAOYSA-N -1 0 323.309 -0.298 20 0 DBADRM COCCN1CCN(C(=O)c2cc(C(=O)[O-])nn2C)CC1=O ZINC001599242765 1017567108 /nfs/dbraw/zinc/56/71/08/1017567108.db2.gz HLYWOIKGVZRMBU-UHFFFAOYSA-N -1 0 310.310 -0.951 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1=O ZINC001599240574 1017569018 /nfs/dbraw/zinc/56/90/18/1017569018.db2.gz QOHRWLFIIJCFJX-RWSFTLGLSA-N -1 0 310.350 -0.053 20 0 DBADRM COCCOC[C@H](C)NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599249806 1017570439 /nfs/dbraw/zinc/57/04/39/1017570439.db2.gz ONLMZMHXMMTMCQ-AXFHLTTASA-N -1 0 304.343 -0.079 20 0 DBADRM COCCOCC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599246708 1017570610 /nfs/dbraw/zinc/57/06/10/1017570610.db2.gz FHSIQGFFUCUTKD-XWLWVQCSSA-N -1 0 314.338 -0.867 20 0 DBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)c1cc(C(=O)[O-])no1 ZINC001599249008 1017570624 /nfs/dbraw/zinc/57/06/24/1017570624.db2.gz GKEFJEKIHSUWPH-KWQFWETISA-N -1 0 314.294 -0.077 20 0 DBADRM COCCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599245336 1017571118 /nfs/dbraw/zinc/57/11/18/1017571118.db2.gz BBCTUZSXHQDAHZ-AXFHLTTASA-N -1 0 314.338 -0.913 20 0 DBADRM COCCOCC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001599248097 1017571639 /nfs/dbraw/zinc/57/16/39/1017571639.db2.gz PRIAPSNWEJDSNP-NSHDSACASA-N -1 0 324.337 -0.467 20 0 DBADRM COCCO[C@H]1C[C@@H](CO)CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599246898 1017571678 /nfs/dbraw/zinc/57/16/78/1017571678.db2.gz KUJPRUADOASJKR-NOOOWODRSA-N -1 0 301.339 -0.421 20 0 DBADRM COCCOC1CN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001599250517 1017572261 /nfs/dbraw/zinc/57/22/61/1017572261.db2.gz YHFPBKROQCJZPL-UHFFFAOYSA-N -1 0 317.342 -0.976 20 0 DBADRM COCCO[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599245337 1017572393 /nfs/dbraw/zinc/57/23/93/1017572393.db2.gz BBCTUZSXHQDAHZ-DCAQKATOSA-N -1 0 314.338 -0.913 20 0 DBADRM COCCOCCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001599250670 1017573333 /nfs/dbraw/zinc/57/33/33/1017573333.db2.gz POMXTEZLPVOMCJ-GHMZBOCLSA-N -1 0 316.354 -0.571 20 0 DBADRM COCCOCCCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001599250756 1017573450 /nfs/dbraw/zinc/57/34/50/1017573450.db2.gz URAIJLPZELFSSJ-UHFFFAOYSA-N -1 0 316.354 -0.521 20 0 DBADRM COCCOCCN(C)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001599250655 1017573708 /nfs/dbraw/zinc/57/37/08/1017573708.db2.gz OIBRKJNGJDRLMD-UHFFFAOYSA-N -1 0 312.322 -0.332 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001599251804 1017574287 /nfs/dbraw/zinc/57/42/87/1017574287.db2.gz ZSRSFRQGKKWWPB-NXEZZACHSA-N -1 0 302.327 -0.913 20 0 DBADRM COCCOCc1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001599253429 1017574410 /nfs/dbraw/zinc/57/44/10/1017574410.db2.gz ZJGUDUDAWASDJO-UHFFFAOYSA-N -1 0 324.333 -0.220 20 0 DBADRM COCCOCc1nnc(N2CCO[C@H](CC(=O)[O-])C2)n1C ZINC001599252077 1017574484 /nfs/dbraw/zinc/57/44/84/1017574484.db2.gz ALBCDUZCXMXAOE-SNVBAGLBSA-N -1 0 314.342 -0.342 20 0 DBADRM COCCOCCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599251277 1017574952 /nfs/dbraw/zinc/57/49/52/1017574952.db2.gz HBGCUXZKUVCXAI-NSHDSACASA-N -1 0 304.343 -0.484 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cn1 ZINC001599271466 1017575668 /nfs/dbraw/zinc/57/56/68/1017575668.db2.gz OFJWMLDESAARDD-URLYPYJESA-N -1 0 322.321 -0.743 20 0 DBADRM COCCn1cc(CNC(=O)[C@H](C)CC(=O)[O-])c(=O)[nH]c1=O ZINC001599271416 1017575704 /nfs/dbraw/zinc/57/57/04/1017575704.db2.gz OWFGTIVXSZJXFS-MRVPVSSYSA-N -1 0 313.310 -0.678 20 0 DBADRM COCCS(=O)(=O)CCCn1c(=O)cccc1C(=O)[O-] ZINC001599262644 1017575821 /nfs/dbraw/zinc/57/58/21/1017575821.db2.gz IDOGVLUYCWAIKG-UHFFFAOYSA-N -1 0 303.336 -0.002 20 0 DBADRM COCCS(=O)(=O)CCCN1CCOC[C@@H]1CC(=O)[O-] ZINC001599262933 1017576514 /nfs/dbraw/zinc/57/65/14/1017576514.db2.gz WZMQYUQGFDFHHL-NSHDSACASA-N -1 0 309.384 -0.387 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC001599262040 1017576811 /nfs/dbraw/zinc/57/68/11/1017576811.db2.gz GFXVQHFLXOLIFI-BXKDBHETSA-N -1 0 323.367 -0.862 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])n1 ZINC001599271368 1017576975 /nfs/dbraw/zinc/57/69/75/1017576975.db2.gz LXWZKEKHEFHRQN-UWVGGRQHSA-N -1 0 324.337 -0.163 20 0 DBADRM COCCn1c(C)nnc1N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001599268131 1017576986 /nfs/dbraw/zinc/57/69/86/1017576986.db2.gz LPHLQEINRNVJNZ-VHSXEESVSA-N -1 0 312.326 -0.457 20 0 DBADRM COCCn1c(COC)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001599268046 1017576992 /nfs/dbraw/zinc/57/69/92/1017576992.db2.gz FLCUAKXYRKYJCN-VIFPVBQESA-N -1 0 300.315 -0.639 20 0 DBADRM COCCn1c([C@H](C)CO)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001599265111 1017577125 /nfs/dbraw/zinc/57/71/25/1017577125.db2.gz IEXVDWVPUMTSQT-NXEZZACHSA-N -1 0 314.342 -0.690 20 0 DBADRM COCCn1cc(C(=O)N[C@@H](CF)C(=O)[O-])c(=O)cc1C ZINC001599272496 1017577716 /nfs/dbraw/zinc/57/77/16/1017577716.db2.gz QTATVHAOFQFGGR-JTQLQIEISA-N -1 0 300.286 -0.044 20 0 DBADRM COCCn1ncc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1C ZINC001599273397 1017577885 /nfs/dbraw/zinc/57/78/85/1017577885.db2.gz CPSDPVDEDHXEFN-LBPRGKRZSA-N -1 0 321.337 -0.013 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C2 ZINC001599273694 1017578897 /nfs/dbraw/zinc/57/88/97/1017578897.db2.gz WWLNPPAVACZEFH-AOOOYVTPSA-N -1 0 308.338 -0.080 20 0 DBADRM COC[C@@H](O)CNS(=O)(=O)c1ccc(OC)cc1C(=O)[O-] ZINC001599275725 1017579206 /nfs/dbraw/zinc/57/92/06/1017579206.db2.gz FCOBMKCGHXWHMR-QMMMGPOBSA-N -1 0 319.335 -0.321 20 0 DBADRM COCCn1cc(C(=O)NC2(C(=O)[O-])CC(CO)C2)c(C)n1 ZINC001599272542 1017579214 /nfs/dbraw/zinc/57/92/14/1017579214.db2.gz SIVORAIMYAAAEW-UHFFFAOYSA-N -1 0 311.338 -0.207 20 0 DBADRM COCCn1nc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)ccc1=O ZINC001599274143 1017579225 /nfs/dbraw/zinc/57/92/25/1017579225.db2.gz KQRJVJMTGUZDAJ-KLBPJQLPSA-N -1 0 321.333 -0.271 20 0 DBADRM COCCn1cc(C(=O)N[C@](C)(COC)CC(=O)[O-])nn1 ZINC001599272667 1017579462 /nfs/dbraw/zinc/57/94/62/1017579462.db2.gz XXPPJRKKGDDQOF-LBPRGKRZSA-N -1 0 300.315 -0.466 20 0 DBADRM COCc1ccnc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1 ZINC001599296623 1017580253 /nfs/dbraw/zinc/58/02/53/1017580253.db2.gz OGECIAOIAOEZCD-SNVBAGLBSA-N -1 0 322.321 -0.115 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC001599277003 1017580435 /nfs/dbraw/zinc/58/04/35/1017580435.db2.gz OVWWBMVXHTYUSB-LURJTMIESA-N -1 0 302.308 -0.492 20 0 DBADRM COC[C@@H](C(N)=O)N(C)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001599277578 1017581015 /nfs/dbraw/zinc/58/10/15/1017581015.db2.gz GSUMXJJWAAZIME-NSHDSACASA-N -1 0 309.322 -0.245 20 0 DBADRM COC[C@@H](C(N)=O)N(C)CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001599278109 1017581783 /nfs/dbraw/zinc/58/17/83/1017581783.db2.gz ZFDZJVKWEOPFKC-VIFPVBQESA-N -1 0 310.310 -0.850 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001599277323 1017581906 /nfs/dbraw/zinc/58/19/06/1017581906.db2.gz HLWUGIKOARCGIR-SECBINFHSA-N -1 0 307.299 -0.191 20 0 DBADRM COCc1nnc2n1CCN(C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C2 ZINC001599308164 1017582743 /nfs/dbraw/zinc/58/27/43/1017582743.db2.gz KPHZBGFYTSEBJU-KBVBSXBZSA-N -1 0 324.337 -0.355 20 0 DBADRM COCc1noc(CNC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001599307428 1017583038 /nfs/dbraw/zinc/58/30/38/1017583038.db2.gz BOCGVTDSHXFWJX-RKDXNWHRSA-N -1 0 324.337 -0.325 20 0 DBADRM COCn1ccc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)n1 ZINC001599306885 1017583088 /nfs/dbraw/zinc/58/30/88/1017583088.db2.gz FNEOKOMXADWUHI-ZDUSSCGKSA-N -1 0 308.294 -0.067 20 0 DBADRM COCc1nc2n(n1)C[C@H](Nc1ccnc(C(=O)[O-])n1)CC2 ZINC001599303422 1017583197 /nfs/dbraw/zinc/58/31/97/1017583197.db2.gz WGFNJEKOSUUECV-MRVPVSSYSA-N -1 0 304.310 -0.239 20 0 DBADRM COCn1nccc1S(=O)(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001599308248 1017583604 /nfs/dbraw/zinc/58/36/04/1017583604.db2.gz KJLDDDTUCVIJEK-LLVKDONJSA-N -1 0 319.339 -0.649 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)CC2 ZINC001599303439 1017584105 /nfs/dbraw/zinc/58/41/05/1017584105.db2.gz WVALWKGVYUQDGR-KXUCPTDWSA-N -1 0 324.337 -0.512 20 0 DBADRM COCc1nccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)n1 ZINC001599305471 1017584533 /nfs/dbraw/zinc/58/45/33/1017584533.db2.gz TZMYJWHSOHBQON-RKDXNWHRSA-N -1 0 322.321 -0.117 20 0 DBADRM CON(C)C(=O)C1CCN(CN2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001599315923 1017585384 /nfs/dbraw/zinc/58/53/84/1017585384.db2.gz OSEIHINSTVURBB-LLVKDONJSA-N -1 0 313.354 -0.391 20 0 DBADRM CON(C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)[C@H](C)CC(=O)[O-] ZINC001599314431 1017585579 /nfs/dbraw/zinc/58/55/79/1017585579.db2.gz UWFJQYUKSPLORC-UDTSGEQISA-N -1 0 313.306 -0.040 20 0 DBADRM CON(C)C(=O)[C@H](C)N1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001599315081 1017585667 /nfs/dbraw/zinc/58/56/67/1017585667.db2.gz MFORRPNEVLHRCK-CIUDSAMLSA-N -1 0 313.310 -0.478 20 0 DBADRM CON(C)C(=O)C1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC001599315309 1017586845 /nfs/dbraw/zinc/58/68/45/1017586845.db2.gz COMCBMIJQWFXLZ-UHFFFAOYSA-N -1 0 322.383 -0.087 20 0 DBADRM CON1CCC(CC(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])CC1 ZINC001599318924 1017586986 /nfs/dbraw/zinc/58/69/86/1017586986.db2.gz WIEUBUDQNVWVPX-NSHDSACASA-N -1 0 313.354 -0.596 20 0 DBADRM CON(C(=O)C[C@@]1(C)CCS(=O)(=O)N1)[C@H](C)CC(=O)[O-] ZINC001599312960 1017587157 /nfs/dbraw/zinc/58/71/57/1017587157.db2.gz UWCQRZDGHKHLJB-LDYMZIIASA-N -1 0 308.356 -0.289 20 0 DBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001599323770 1017588191 /nfs/dbraw/zinc/58/81/91/1017588191.db2.gz CPNCWOBJGKTERP-HTQZYQBOSA-N -1 0 302.308 -0.528 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599322043 1017588261 /nfs/dbraw/zinc/58/82/61/1017588261.db2.gz FGIPQYATYSTJKK-HBNTYKKESA-N -1 0 302.327 -0.325 20 0 DBADRM CO[C@@H]1CN(CC(=O)NC2(C(=O)[O-])CCCCC2)C[C@H]1O ZINC001599323545 1017588794 /nfs/dbraw/zinc/58/87/94/1017588794.db2.gz YVXMGMOFTRBGIR-GHMZBOCLSA-N -1 0 300.355 -0.418 20 0 DBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001599322903 1017589403 /nfs/dbraw/zinc/58/94/03/1017589403.db2.gz YFCPHITUTNTQRM-LMLFDSFASA-N -1 0 307.368 -0.037 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C[C@H]1O ZINC001599323356 1017589977 /nfs/dbraw/zinc/58/99/77/1017589977.db2.gz NKPFYSXSJVCWHI-DBIOUOCHSA-N -1 0 307.368 -0.349 20 0 DBADRM CO[C@H](C)CNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001599325187 1017590768 /nfs/dbraw/zinc/59/07/68/1017590768.db2.gz KKCWCTOHLKNYEP-MRVPVSSYSA-N -1 0 312.326 -0.208 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@@H](C)CC(=O)[O-])C[C@H]21 ZINC001599324793 1017592429 /nfs/dbraw/zinc/59/24/29/1017592429.db2.gz XFESALRNPPMANV-QEYWKRMJSA-N -1 0 305.352 -0.632 20 0 DBADRM COc1c(NC(=O)C(=O)N[C@@H]2CC[C@H]2O)cccc1C(=O)[O-] ZINC001599338414 1017593806 /nfs/dbraw/zinc/59/38/06/1017593806.db2.gz VHHPEEKBYAJYLD-PSASIEDQSA-N -1 0 308.290 -0.029 20 0 DBADRM COc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1C ZINC001599352708 1017593904 /nfs/dbraw/zinc/59/39/04/1017593904.db2.gz YWLCUOGHYTXCTI-RKDXNWHRSA-N -1 0 322.321 -0.910 20 0 DBADRM COc1cc(C(=O)N(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])ncn1 ZINC001599349981 1017594061 /nfs/dbraw/zinc/59/40/61/1017594061.db2.gz PIWAYVCSMUTVRR-IUCAKERBSA-N -1 0 322.321 -0.606 20 0 DBADRM COc1c[nH]c(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cc1=O ZINC001599344983 1017594158 /nfs/dbraw/zinc/59/41/58/1017594158.db2.gz DQOLFJZORULIGI-VIFPVBQESA-N -1 0 323.305 -0.811 20 0 DBADRM COc1c[nH]c(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cc1=O ZINC001599345940 1017595376 /nfs/dbraw/zinc/59/53/76/1017595376.db2.gz VAMVQXQDNBQYQG-LBPRGKRZSA-N -1 0 310.306 -0.319 20 0 DBADRM COc1cc(C(=O)[O-])ccc1CCNC(=O)NC(CO)CO ZINC001599367941 1017595820 /nfs/dbraw/zinc/59/58/20/1017595820.db2.gz XUGWSLYAHXOOMY-UHFFFAOYSA-N -1 0 312.322 -0.412 20 0 DBADRM COc1cc(CNC(=O)CN2CCOCC2=O)ccc1C(=O)[O-] ZINC001599410167 1017596964 /nfs/dbraw/zinc/59/69/64/1017596964.db2.gz QCHYSGDYLUJELC-UHFFFAOYSA-N -1 0 322.317 -0.132 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@H](O)C2)ccc1C(=O)[O-] ZINC001599428544 1017596996 /nfs/dbraw/zinc/59/69/96/1017596996.db2.gz LLMSLGCXXKEJRD-SECBINFHSA-N -1 0 308.290 -0.075 20 0 DBADRM COc1cc(CCC(=O)N[C@@H](CO)C(=O)[O-])cc(OC)c1O ZINC001599402781 1017597059 /nfs/dbraw/zinc/59/70/59/1017597059.db2.gz JQWVTNXPBBETKJ-VIFPVBQESA-N -1 0 313.306 -0.096 20 0 DBADRM COc1cc(F)c(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)c(F)c1 ZINC001599423486 1017597462 /nfs/dbraw/zinc/59/74/62/1017597462.db2.gz BNPCXMVUGZWAFU-UHFFFAOYSA-N -1 0 323.273 -0.207 20 0 DBADRM COc1cc(NC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)ncn1 ZINC001599428597 1017597593 /nfs/dbraw/zinc/59/75/93/1017597593.db2.gz MMJNFOCNZQVPFN-OCAPTIKFSA-N -1 0 308.294 -0.255 20 0 DBADRM COc1cc(NC(=O)C(=O)NC2(CC(=O)[O-])CCC2)ncn1 ZINC001599432209 1017597618 /nfs/dbraw/zinc/59/76/18/1017597618.db2.gz WMTACNLLVLIXCL-UHFFFAOYSA-N -1 0 308.294 -0.063 20 0 DBADRM COc1cc(CC(=O)N[C@@H](CO)C(=O)[O-])cc(OC)c1OC ZINC001599400442 1017597746 /nfs/dbraw/zinc/59/77/46/1017597746.db2.gz IUXLTAVDLIBXIF-VIFPVBQESA-N -1 0 313.306 -0.183 20 0 DBADRM COc1cc(CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)ccn1 ZINC001599409492 1017597927 /nfs/dbraw/zinc/59/79/27/1017597927.db2.gz YUYXFNJSBYVOKI-AOOOYVTPSA-N -1 0 307.306 -0.314 20 0 DBADRM COc1cc(COCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])ccn1 ZINC001599417431 1017597973 /nfs/dbraw/zinc/59/79/73/1017597973.db2.gz YRHMLLLJWJGTMJ-GXFFZTMASA-N -1 0 310.306 -0.035 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)ncn1 ZINC001599429617 1017598170 /nfs/dbraw/zinc/59/81/70/1017598170.db2.gz VVXUJMAMMBAXSY-QMMMGPOBSA-N -1 0 308.294 -0.253 20 0 DBADRM COc1cc(NC(=O)C(=O)N(C)CC(N)=O)ccc1C(=O)[O-] ZINC001599428593 1017598266 /nfs/dbraw/zinc/59/82/66/1017598266.db2.gz MHOBHFTWFQNWRW-UHFFFAOYSA-N -1 0 309.278 -0.724 20 0 DBADRM COc1cc(CO)ccc1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001599417473 1017598324 /nfs/dbraw/zinc/59/83/24/1017598324.db2.gz AVQZXTYUPONYJW-LLVKDONJSA-N -1 0 322.317 -0.445 20 0 DBADRM COc1cc(F)cc(F)c1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC001599426036 1017598378 /nfs/dbraw/zinc/59/83/78/1017598378.db2.gz WLNWDGFPNSYHPG-ZETCQYMHSA-N -1 0 311.262 -0.303 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)C(=O)NCCCC(N)=O)c1 ZINC001599487129 1017599448 /nfs/dbraw/zinc/59/94/48/1017599448.db2.gz MAQQRFVOSSVNPV-UHFFFAOYSA-N -1 0 323.305 -0.286 20 0 DBADRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)Cn1cnnn1)CC2 ZINC001599495064 1017600234 /nfs/dbraw/zinc/60/02/34/1017600234.db2.gz VZJQORWKRNDFMJ-UHFFFAOYSA-N -1 0 317.305 -0.035 20 0 DBADRM COc1cc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])sn1 ZINC001599460402 1017600618 /nfs/dbraw/zinc/60/06/18/1017600618.db2.gz RNHYKZFXKNAQKA-RCOVLWMOSA-N -1 0 322.364 -0.250 20 0 DBADRM COc1ccc([C@H](NC(=O)[C@@H]2CC(=O)N2)C(=O)[O-])c(OC)c1 ZINC001599516440 1017600635 /nfs/dbraw/zinc/60/06/35/1017600635.db2.gz CYFHICIKQSOTAG-CABZTGNLSA-N -1 0 308.290 -0.166 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)C(=O)NCC(=O)N(C)C)c1 ZINC001599488372 1017600788 /nfs/dbraw/zinc/60/07/88/1017600788.db2.gz UZQSDXKWCMTVAJ-UHFFFAOYSA-N -1 0 323.305 -0.464 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)C(=O)NC2(C(N)=O)CC2)c1 ZINC001599486749 1017600903 /nfs/dbraw/zinc/60/09/03/1017600903.db2.gz FYXJRAUFILMDIN-UHFFFAOYSA-N -1 0 321.289 -0.534 20 0 DBADRM COc1ccc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)nn1 ZINC001599480696 1017600997 /nfs/dbraw/zinc/60/09/97/1017600997.db2.gz IWZKASZCNIOTCR-MRVPVSSYSA-N -1 0 318.293 -0.138 20 0 DBADRM COc1ccc([C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C(=O)[O-])cc1O ZINC001599520292 1017601091 /nfs/dbraw/zinc/60/10/91/1017601091.db2.gz ZQQBFVLSOWVAAR-GZMMTYOYSA-N -1 0 323.305 -0.334 20 0 DBADRM COc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001599584039 1017602175 /nfs/dbraw/zinc/60/21/75/1017602175.db2.gz CJVJRWPQEHZLLZ-QMMMGPOBSA-N -1 0 314.269 -0.275 20 0 DBADRM COc1ccc(CCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cn1 ZINC001599552615 1017602210 /nfs/dbraw/zinc/60/22/10/1017602210.db2.gz SAVQVKPRFAZZFB-LLVKDONJSA-N -1 0 321.333 -0.176 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001599748897 1017618639 /nfs/dbraw/zinc/61/86/39/1017618639.db2.gz LUHKATRLHZGXHU-ZJUUUORDSA-N -1 0 304.368 -0.757 20 0 DBADRM COc1ccc([C@@H](NC(=O)C[C@@H]2CC(=O)N2)C(=O)[O-])cc1O ZINC001599520695 1017602588 /nfs/dbraw/zinc/60/25/88/1017602588.db2.gz VFMBREWPMSJFDC-ISVAXAHUSA-N -1 0 308.290 -0.079 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)nc1 ZINC001599563897 1017604100 /nfs/dbraw/zinc/60/41/00/1017604100.db2.gz XVDPGTGXKPZMOB-NSHDSACASA-N -1 0 323.305 -0.982 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001599749740 1017619854 /nfs/dbraw/zinc/61/98/54/1017619854.db2.gz WJEIROZHJZYOBP-VHSXEESVSA-N -1 0 322.383 -0.808 20 0 DBADRM COc1cccc(C(=O)NCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001599643134 1017605422 /nfs/dbraw/zinc/60/54/22/1017605422.db2.gz WQVZYZFRQHBLRA-VHSXEESVSA-N -1 0 321.333 -0.001 20 0 DBADRM COc1cccc(C(=O)NCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001599643133 1017605658 /nfs/dbraw/zinc/60/56/58/1017605658.db2.gz WQVZYZFRQHBLRA-UWVGGRQHSA-N -1 0 321.333 -0.001 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](C)CC(N)=O)c(C(=O)[O-])c1 ZINC001599612234 1017606324 /nfs/dbraw/zinc/60/63/24/1017606324.db2.gz GGNGPGLCGBYRML-SSDOTTSWSA-N -1 0 316.335 -0.064 20 0 DBADRM COc1cccc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])c1OC ZINC001599684586 1017607504 /nfs/dbraw/zinc/60/75/04/1017607504.db2.gz VSCDNNOYVFJILA-GFCCVEGCSA-N -1 0 319.335 -0.182 20 0 DBADRM COc1cccc2c1OC[C@H](NC(=O)N1CC(O)(C(=O)[O-])C1)C2 ZINC001599691810 1017608414 /nfs/dbraw/zinc/60/84/14/1017608414.db2.gz YWTLBFRKZOPBLL-SNVBAGLBSA-N -1 0 322.317 -0.160 20 0 DBADRM COc1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1 ZINC001599678871 1017608783 /nfs/dbraw/zinc/60/87/83/1017608783.db2.gz PGPAWEVDLVBKPD-MWLCHTKSSA-N -1 0 322.317 -0.072 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)N[C@](C)(CO)C(=O)[O-] ZINC001599700112 1017608867 /nfs/dbraw/zinc/60/88/67/1017608867.db2.gz QLXWVBVAKDBTJA-CQSZACIVSA-N -1 0 310.306 -0.623 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001599700448 1017609392 /nfs/dbraw/zinc/60/93/92/1017609392.db2.gz ZFQUMKGDQSVVQA-HNNXBMFYSA-N -1 0 322.317 -0.215 20 0 DBADRM COc1cnccc1CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC001599728489 1017610902 /nfs/dbraw/zinc/61/09/02/1017610902.db2.gz WDWFZVOKYIKTLM-UHFFFAOYSA-N -1 0 303.340 -0.169 20 0 DBADRM COc1cnc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)nc1 ZINC001599723342 1017610985 /nfs/dbraw/zinc/61/09/85/1017610985.db2.gz JYJVYINMLLGEQD-VIFPVBQESA-N -1 0 309.278 -0.282 20 0 DBADRM COc1coc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])cc1=O ZINC001599727544 1017611028 /nfs/dbraw/zinc/61/10/28/1017611028.db2.gz GPQAXZDUVHAOKX-MRVPVSSYSA-N -1 0 307.262 -0.272 20 0 DBADRM COc1cncc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])n1 ZINC001599725876 1017611894 /nfs/dbraw/zinc/61/18/94/1017611894.db2.gz AGOFAHTYNQPGSX-VIFPVBQESA-N -1 0 324.337 -0.170 20 0 DBADRM COc1ncccc1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001599737016 1017612936 /nfs/dbraw/zinc/61/29/36/1017612936.db2.gz YLJQOHWQTDVMNO-GHMZBOCLSA-N -1 0 321.333 -0.001 20 0 DBADRM COc1ncccc1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001599737687 1017613629 /nfs/dbraw/zinc/61/36/29/1017613629.db2.gz UFLKZGXDYIQADX-JTQLQIEISA-N -1 0 307.306 -0.361 20 0 DBADRM COc1ncccc1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001599737688 1017613877 /nfs/dbraw/zinc/61/38/77/1017613877.db2.gz UFLKZGXDYIQADX-SNVBAGLBSA-N -1 0 307.306 -0.361 20 0 DBADRM COc1ncc(CN2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c(C)n1 ZINC001599734356 1017614023 /nfs/dbraw/zinc/61/40/23/1017614023.db2.gz LMOUEVSNFQMDOH-RYUDHWBXSA-N -1 0 320.349 -0.185 20 0 DBADRM COc1nc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)co1 ZINC001599730439 1017614107 /nfs/dbraw/zinc/61/41/07/1017614107.db2.gz NLIDAFCAJPBNQY-YUMQZZPRSA-N -1 0 309.278 -0.656 20 0 DBADRM COc1ncccc1NC(=O)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001599737686 1017614117 /nfs/dbraw/zinc/61/41/17/1017614117.db2.gz RUYHCJAEOSOTJG-VHSXEESVSA-N -1 0 323.305 -0.535 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001599739464 1017615714 /nfs/dbraw/zinc/61/57/14/1017615714.db2.gz MTFXNRJVWKWEEG-UHFFFAOYSA-N -1 0 312.326 -0.016 20 0 DBADRM CS(=O)(=O)[C@H]1CCC[C@H](NCc2cn(CC(=O)[O-])nn2)C1 ZINC001599744782 1017615822 /nfs/dbraw/zinc/61/58/22/1017615822.db2.gz GANBROLCNOFEPB-ONGXEEELSA-N -1 0 316.383 -0.192 20 0 DBADRM CS(=O)(=O)C1CCC(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)CC1 ZINC001599745208 1017616347 /nfs/dbraw/zinc/61/63/47/1017616347.db2.gz LYGHBAGGKVTVPY-SYLCGQGWSA-N -1 0 319.379 -0.316 20 0 DBADRM CS(=O)(=O)C1(C(=O)NC2CC(C(=O)[O-])C2)CCOCC1 ZINC001599744438 1017616563 /nfs/dbraw/zinc/61/65/63/1017616563.db2.gz XZGVWTFDEAGMJV-UHFFFAOYSA-N -1 0 305.352 -0.440 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001599738993 1017616736 /nfs/dbraw/zinc/61/67/36/1017616736.db2.gz GHQIXBPLXHYBED-QMSLJYSESA-N -1 0 308.294 -0.844 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1 ZINC001599744577 1017616785 /nfs/dbraw/zinc/61/67/85/1017616785.db2.gz BPEMMYZWBXDNAX-ZJUUUORDSA-N -1 0 320.367 -0.252 20 0 DBADRM CSCCCn1nnnc1N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001599800139 1017635218 /nfs/dbraw/zinc/63/52/18/1017635218.db2.gz OIJVWTROTVFHHE-RKDXNWHRSA-N -1 0 301.372 -0.302 20 0 DBADRM CS(=O)(=O)C1CCN([C@H]2CCN(CCC(=O)[O-])C2=O)CC1 ZINC001599746618 1017617903 /nfs/dbraw/zinc/61/79/03/1017617903.db2.gz LGRBJFUPFQWICV-NSHDSACASA-N -1 0 318.395 -0.429 20 0 DBADRM CS(=O)(=O)C1CN(C(=O)Nc2cccc(CC(=O)[O-])n2)C1 ZINC001599747397 1017617919 /nfs/dbraw/zinc/61/79/19/1017617919.db2.gz UNOMSIVOOZSOFP-UHFFFAOYSA-N -1 0 313.335 -0.031 20 0 DBADRM CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001599747104 1017618070 /nfs/dbraw/zinc/61/80/70/1017618070.db2.gz DBLWJEJTRMCSFW-MRVPVSSYSA-N -1 0 311.381 -0.558 20 0 DBADRM CS(=O)(=O)CC1(COC(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC001599748526 1017618208 /nfs/dbraw/zinc/61/82/08/1017618208.db2.gz OSRNSYCFTFDTAR-UHFFFAOYSA-N -1 0 316.335 -0.051 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC001599748102 1017618440 /nfs/dbraw/zinc/61/84/40/1017618440.db2.gz BEHPNMZWUZHHIU-HBNTYKKESA-N -1 0 319.379 -0.241 20 0 DBADRM CS(=O)(=O)CC1(C(=O)NC2CCC(C(=O)[O-])CC2)COC1 ZINC001599749461 1017618530 /nfs/dbraw/zinc/61/85/30/1017618530.db2.gz SBDYJUOUTFAKQN-UHFFFAOYSA-N -1 0 319.379 -0.193 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCN(C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001599747953 1017618543 /nfs/dbraw/zinc/61/85/43/1017618543.db2.gz HISLSEBGPXMOAE-BDAKNGLRSA-N -1 0 310.347 -0.125 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)NCCOCC(=O)[O-])C1 ZINC001599749405 1017618605 /nfs/dbraw/zinc/61/86/05/1017618605.db2.gz QAJMTLBLINUMNS-SECBINFHSA-N -1 0 308.356 -0.836 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)CC1 ZINC001599748014 1017618622 /nfs/dbraw/zinc/61/86/22/1017618622.db2.gz GLWQMMHNNFKRAZ-LYWQIFSTSA-N -1 0 305.352 -0.704 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC001599745305 1017618775 /nfs/dbraw/zinc/61/87/75/1017618775.db2.gz XIPAYYWZKICIIE-UHFFFAOYSA-N -1 0 301.324 -0.725 20 0 DBADRM CS(=O)(=O)C1(COC(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC001599745494 1017618983 /nfs/dbraw/zinc/61/89/83/1017618983.db2.gz CESMMYUUJBCHRY-UHFFFAOYSA-N -1 0 302.308 -0.298 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)c1csc(C(=O)[O-])n1 ZINC001599751764 1017620139 /nfs/dbraw/zinc/62/01/39/1017620139.db2.gz NEAIKVBSMJPFBV-UHFFFAOYSA-N -1 0 322.364 -0.368 20 0 DBADRM CS(=O)(=O)CCCCN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001599750115 1017620333 /nfs/dbraw/zinc/62/03/33/1017620333.db2.gz JGWCDHOABFAAOV-SNVBAGLBSA-N -1 0 306.384 -0.524 20 0 DBADRM CS(=O)(=O)CCCCCN1C(=O)N[C@H](CCC(=O)[O-])C1=O ZINC001599750103 1017620581 /nfs/dbraw/zinc/62/05/81/1017620581.db2.gz IESDEMHSGOXVRY-SECBINFHSA-N -1 0 320.367 -0.014 20 0 DBADRM CS(=O)(=O)CCCC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001599750608 1017620661 /nfs/dbraw/zinc/62/06/61/1017620661.db2.gz KKDNEQVCLVVYGD-VHSXEESVSA-N -1 0 307.368 -0.050 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001599749741 1017620739 /nfs/dbraw/zinc/62/07/39/1017620739.db2.gz WJEIROZHJZYOBP-ZJUUUORDSA-N -1 0 322.383 -0.808 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001599750562 1017620748 /nfs/dbraw/zinc/62/07/48/1017620748.db2.gz IKXKMAQUTAIDDT-ZJUUUORDSA-N -1 0 307.368 -0.193 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN([C@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001599749891 1017620934 /nfs/dbraw/zinc/62/09/34/1017620934.db2.gz ZOWJTPJRTILWEK-MNOVXSKESA-N -1 0 318.395 -0.572 20 0 DBADRM CS(=O)(=O)CCCC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001599750606 1017621169 /nfs/dbraw/zinc/62/11/69/1017621169.db2.gz KKDNEQVCLVVYGD-NXEZZACHSA-N -1 0 307.368 -0.050 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)CCC(=O)[O-] ZINC001599755921 1017622336 /nfs/dbraw/zinc/62/23/36/1017622336.db2.gz PYXJFXWSRIUWAD-SNVBAGLBSA-N -1 0 321.351 -0.222 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)OCC(=O)CCC(=O)[O-])CC1 ZINC001599753909 1017622449 /nfs/dbraw/zinc/62/24/49/1017622449.db2.gz FPOVSTZVTURBIE-UHFFFAOYSA-N -1 0 321.351 -0.365 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001599754575 1017622561 /nfs/dbraw/zinc/62/25/61/1017622561.db2.gz CTNMFLBGULSRRA-BBBLOLIVSA-N -1 0 320.367 -0.984 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)CCSCC(=O)[O-])C1 ZINC001599754874 1017622720 /nfs/dbraw/zinc/62/27/20/1017622720.db2.gz MHHIBUWZMDUXOM-SECBINFHSA-N -1 0 324.424 -0.408 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=S)NCCCC(=O)[O-])C1 ZINC001599755615 1017622846 /nfs/dbraw/zinc/62/28/46/1017622846.db2.gz IYKOCIZRJXRMOZ-MRVPVSSYSA-N -1 0 309.413 -0.651 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C1 ZINC001599754318 1017623140 /nfs/dbraw/zinc/62/31/40/1017623140.db2.gz ZQUSMIHIEINILF-JTQLQIEISA-N -1 0 318.395 -0.019 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001599753735 1017623310 /nfs/dbraw/zinc/62/33/10/1017623310.db2.gz BJBSGZKFSAYWJP-UHFFFAOYSA-N -1 0 313.335 -0.599 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599757181 1017624392 /nfs/dbraw/zinc/62/43/92/1017624392.db2.gz DFCILTLRIPVOCB-RGOKHQFPSA-N -1 0 304.368 -0.459 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001599759090 1017624984 /nfs/dbraw/zinc/62/49/84/1017624984.db2.gz HBHIIWBAQTZWIJ-LLVKDONJSA-N -1 0 308.356 -0.934 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001599759055 1017624992 /nfs/dbraw/zinc/62/49/92/1017624992.db2.gz GDYYFVAERPJHQS-RGOKHQFPSA-N -1 0 304.368 -0.459 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(Cn2cnc(C(=O)[O-])n2)C1 ZINC001599758075 1017625501 /nfs/dbraw/zinc/62/55/01/1017625501.db2.gz JADIRJLBXNHGLQ-SECBINFHSA-N -1 0 317.371 -0.805 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(C(=O)NCCCCC(=O)[O-])C1 ZINC001599759381 1017625539 /nfs/dbraw/zinc/62/55/39/1017625539.db2.gz RGMJJGPNHZOYEB-JTQLQIEISA-N -1 0 321.399 -0.178 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001599759091 1017625622 /nfs/dbraw/zinc/62/56/22/1017625622.db2.gz HBHIIWBAQTZWIJ-NSHDSACASA-N -1 0 308.356 -0.934 20 0 DBADRM CS(=O)(=O)NCCC(=O)OCc1cccc(C(=O)[O-])n1 ZINC001599758915 1017625764 /nfs/dbraw/zinc/62/57/64/1017625764.db2.gz AJNOVAVTEAFRQM-UHFFFAOYSA-N -1 0 302.308 -0.238 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@H](NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001599763046 1017626631 /nfs/dbraw/zinc/62/66/31/1017626631.db2.gz SXWLUMGDJFYEFI-ZYUZMQFOSA-N -1 0 320.367 -0.649 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNS(=O)(=O)C1CCC1)C(=O)[O-] ZINC001599764046 1017627032 /nfs/dbraw/zinc/62/70/32/1017627032.db2.gz ZYKYLIUNKDGVCL-WCBMZHEXSA-N -1 0 311.381 -0.654 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CCc1ncc[nH]1)C(=O)[O-] ZINC001599762333 1017627206 /nfs/dbraw/zinc/62/72/06/1017627206.db2.gz DUELEKNXKVHUAQ-QPUJVOFHSA-N -1 0 315.351 -0.654 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC001599759494 1017627327 /nfs/dbraw/zinc/62/73/27/1017627327.db2.gz WPAVAYNKNCDSKF-VIFPVBQESA-N -1 0 314.367 -0.454 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001599760648 1017628004 /nfs/dbraw/zinc/62/80/04/1017628004.db2.gz JJQYSBVPFSJVAH-VHSXEESVSA-N -1 0 319.383 -0.712 20 0 DBADRM CS(=O)(=O)c1cccnc1NCCC(=O)NCCC(=O)[O-] ZINC001599773691 1017629806 /nfs/dbraw/zinc/62/98/06/1017629806.db2.gz JJOMDVLTHHCFFE-UHFFFAOYSA-N -1 0 315.351 -0.122 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)NC[C@H](O)CC(=O)[O-])ccc1F ZINC001599764060 1017629878 /nfs/dbraw/zinc/62/98/78/1017629878.db2.gz KLJWGBYKPTZJTH-MRVPVSSYSA-N -1 0 319.310 -0.205 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)o1 ZINC001599768015 1017629962 /nfs/dbraw/zinc/62/99/62/1017629962.db2.gz FBCFUAZSSWPBKX-LBPRGKRZSA-N -1 0 317.319 -0.096 20 0 DBADRM CS(=O)(=O)c1ccc(F)c(C(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001599768905 1017629970 /nfs/dbraw/zinc/62/99/70/1017629970.db2.gz IHZDMTQTYPETSJ-UHFFFAOYSA-N -1 0 317.294 -0.499 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)CCNC(=O)C1(C(=O)[O-])CC1 ZINC001599781556 1017632014 /nfs/dbraw/zinc/63/20/14/1017632014.db2.gz SCQYSYVORIMPBM-UHFFFAOYSA-N -1 0 312.369 -0.975 20 0 DBADRM CS(=O)(=O)c1nccc(C(=O)NCCSCC(=O)[O-])n1 ZINC001599775287 1017632439 /nfs/dbraw/zinc/63/24/39/1017632439.db2.gz LAKLUZSDTXGPOC-UHFFFAOYSA-N -1 0 319.364 -0.572 20 0 DBADRM CSCCCNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599799578 1017633482 /nfs/dbraw/zinc/63/34/82/1017633482.db2.gz FFJLLISGGSMGBD-VIFPVBQESA-N -1 0 304.368 -0.442 20 0 DBADRM CSC[C@@H](CCO)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001599792965 1017633919 /nfs/dbraw/zinc/63/39/19/1017633919.db2.gz SZEWMTAWXFGPKE-ZJUUUORDSA-N -1 0 318.395 -0.460 20 0 DBADRM CSC[C@@H](CCO)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001599791756 1017634190 /nfs/dbraw/zinc/63/41/90/1017634190.db2.gz AOTBOAIJZJGFET-MRVPVSSYSA-N -1 0 317.371 -0.611 20 0 DBADRM CSC[C@H](C)NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599791845 1017634661 /nfs/dbraw/zinc/63/46/61/1017634661.db2.gz BLXOWOLPYNMRSR-YIZRAAEISA-N -1 0 304.368 -0.852 20 0 DBADRM CSC[C@H](C)NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001599791842 1017634914 /nfs/dbraw/zinc/63/49/14/1017634914.db2.gz BLXOWOLPYNMRSR-XHNCKOQMSA-N -1 0 304.368 -0.852 20 0 DBADRM CSCC[C@@H](O)C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001599795993 1017635057 /nfs/dbraw/zinc/63/50/57/1017635057.db2.gz FVIZFXLSNONJQS-SKDRFNHKSA-N -1 0 301.368 -0.043 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599801431 1017635082 /nfs/dbraw/zinc/63/50/82/1017635082.db2.gz GWIGGZDTWAXJKL-VGMNWLOBSA-N -1 0 319.383 -0.523 20 0 DBADRM CSCCCNC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599799556 1017635167 /nfs/dbraw/zinc/63/51/67/1017635167.db2.gz DQWHLOTWQAFEJB-IUCAKERBSA-N -1 0 304.368 -0.444 20 0 DBADRM CSCC[C@@H](OC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC001599798023 1017635329 /nfs/dbraw/zinc/63/53/29/1017635329.db2.gz WAPYNUOPKBUKAI-MRVPVSSYSA-N -1 0 316.335 -0.553 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1cn[nH]c(=O)c1 ZINC001599836385 1017635939 /nfs/dbraw/zinc/63/59/39/1017635939.db2.gz IPIVERBCJCXUMT-ZETCQYMHSA-N -1 0 318.293 -0.677 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)Cc1cc[nH]n1 ZINC001599836154 1017636785 /nfs/dbraw/zinc/63/67/85/1017636785.db2.gz BTVODEAKSXMNHE-QMMMGPOBSA-N -1 0 304.310 -0.521 20 0 DBADRM C[C@@H](O)C1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001599842041 1017637203 /nfs/dbraw/zinc/63/72/03/1017637203.db2.gz MPRSGNQMQIUYLN-SNVBAGLBSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001599836828 1017637225 /nfs/dbraw/zinc/63/72/25/1017637225.db2.gz VZBBEHJLVARLOC-WCBMZHEXSA-N -1 0 321.337 -0.240 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CCOc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC001599843251 1017637234 /nfs/dbraw/zinc/63/72/34/1017637234.db2.gz BZISMBGQCAADGG-PELKAZGASA-N -1 0 310.306 -0.495 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)C(=O)N(C)C ZINC001599837289 1017637243 /nfs/dbraw/zinc/63/72/43/1017637243.db2.gz IBEMRROQGGRYNF-SSDOTTSWSA-N -1 0 310.310 -0.745 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H]1CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001599835369 1017637413 /nfs/dbraw/zinc/63/74/13/1017637413.db2.gz JKHFFJNVICRUHE-VHSXEESVSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@]1(F)CCOC1 ZINC001599837025 1017637438 /nfs/dbraw/zinc/63/74/38/1017637438.db2.gz VKVBUAWJKYSKQZ-SDBXPKJASA-N -1 0 312.301 -0.358 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001599836819 1017637450 /nfs/dbraw/zinc/63/74/50/1017637450.db2.gz VKFBRVXUENLXHF-ONGXEEELSA-N -1 0 323.353 -0.578 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)CCCC(N)=O ZINC001599836602 1017637473 /nfs/dbraw/zinc/63/74/73/1017637473.db2.gz OQHQGJFLPOHRBV-QMMMGPOBSA-N -1 0 309.326 -0.253 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1cnns1 ZINC001599836128 1017637541 /nfs/dbraw/zinc/63/75/41/1017637541.db2.gz AHHVTTOJBXJKDI-LURJTMIESA-N -1 0 308.323 -0.321 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccc2c(c1)nc(CO)n2C)C(=O)[O-] ZINC001599845782 1017638278 /nfs/dbraw/zinc/63/82/78/1017638278.db2.gz XJVXGUPGLCRPAC-KRTXAFLBSA-N -1 0 307.306 -0.371 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC001599844612 1017639276 /nfs/dbraw/zinc/63/92/76/1017639276.db2.gz QXSFDDIHRCPVRH-JWXFUTCRSA-N -1 0 312.244 -0.606 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12)C(=O)[O-] ZINC001599844304 1017639304 /nfs/dbraw/zinc/63/93/04/1017639304.db2.gz JULDKXUUSWSJJU-PMCHEESUSA-N -1 0 304.302 -0.153 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CNC(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC001599844054 1017639441 /nfs/dbraw/zinc/63/94/41/1017639441.db2.gz UOOCNBQWZSLIQZ-KBUNVGBDSA-N -1 0 316.260 -0.355 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC001599846713 1017639590 /nfs/dbraw/zinc/63/95/90/1017639590.db2.gz XBOBMTWRWVRIQD-HRDYMLBCSA-N -1 0 319.335 -0.962 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)C[C@H]1C(=O)[O-] ZINC001599849714 1017641103 /nfs/dbraw/zinc/64/11/03/1017641103.db2.gz QRNIKOYIQRGBOW-HRDYMLBCSA-N -1 0 320.292 -0.606 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCc2ccoc2)C[C@@H](C(=O)[O-])O1 ZINC001599850122 1017641310 /nfs/dbraw/zinc/64/13/10/1017641310.db2.gz KSHNYBHMTXLCMF-KOLCDFICSA-N -1 0 310.306 -0.361 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[C@H]1C(=O)[O-] ZINC001599849655 1017641363 /nfs/dbraw/zinc/64/13/63/1017641363.db2.gz DHDXSJUISGJHSP-WRWGMCAJSA-N -1 0 309.366 -0.672 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599848210 1017641474 /nfs/dbraw/zinc/64/14/74/1017641474.db2.gz VARAIIUYTANSHN-VWYCJHECSA-N -1 0 314.338 -0.818 20 0 DBADRM C[C@@H]1CN(C(=O)C2(CS(C)(=O)=O)COC2)C[C@H]1CC(=O)[O-] ZINC001599852989 1017642878 /nfs/dbraw/zinc/64/28/78/1017642878.db2.gz RASDNWNBRIYXJX-NXEZZACHSA-N -1 0 319.379 -0.383 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCSC2)C[C@@H](C(=O)[O-])O1 ZINC001599851116 1017644269 /nfs/dbraw/zinc/64/42/69/1017644269.db2.gz OTZXJCBWQGJGMA-BBBLOLIVSA-N -1 0 316.379 -0.444 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CC2(F)F)C[C@@H](C(=O)[O-])O1 ZINC001599851357 1017644286 /nfs/dbraw/zinc/64/42/86/1017644286.db2.gz SFCHAFVHEPYASI-VGMNWLOBSA-N -1 0 320.292 -0.152 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCn3ccnc3C2)C[C@H]1C(=O)[O-] ZINC001599851349 1017644432 /nfs/dbraw/zinc/64/44/32/1017644432.db2.gz RXKVONLOCWVSJD-OUAUKWLOSA-N -1 0 320.349 -0.507 20 0 DBADRM C[C@@H]1CN(C(=O)NCC[C@]2(O)CCCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599860113 1017645120 /nfs/dbraw/zinc/64/51/20/1017645120.db2.gz KAKJQPAMZQJYGB-UHIISALHSA-N -1 0 316.354 -0.199 20 0 DBADRM C[C@@H]1CN(C(=O)NCc2cn(C)c(=O)[nH]c2=O)C[C@H]1C(=O)[O-] ZINC001599858571 1017645614 /nfs/dbraw/zinc/64/56/14/1017645614.db2.gz PWOWRUYNGJZFEI-VXNVDRBHSA-N -1 0 310.310 -0.652 20 0 DBADRM C[C@@H]1CN(C(=O)NCCN2CCNC(=O)C2)C[C@H]1CC(=O)[O-] ZINC001599858896 1017645725 /nfs/dbraw/zinc/64/57/25/1017645725.db2.gz YTHWSCNCNCCVQQ-GHMZBOCLSA-N -1 0 312.370 -0.830 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CC(C(N)=O)=NO2)C[C@H]1CC(=O)[O-] ZINC001599855904 1017645768 /nfs/dbraw/zinc/64/57/68/1017645768.db2.gz MEOANJRFEWAEFU-IWSPIJDZSA-N -1 0 312.326 -0.631 20 0 DBADRM C[C@@H]1CN(C(=O)NCC[C@@]2(O)CCCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599860112 1017645875 /nfs/dbraw/zinc/64/58/75/1017645875.db2.gz KAKJQPAMZQJYGB-SUNKGSAMSA-N -1 0 316.354 -0.199 20 0 DBADRM C[C@@H]1CN(C(=O)NCCNC(=O)c2ccn[nH]2)C[C@H]1CC(=O)[O-] ZINC001599858789 1017645951 /nfs/dbraw/zinc/64/59/51/1017645951.db2.gz QZHQZRXNLWXZMC-NXEZZACHSA-N -1 0 323.353 -0.108 20 0 DBADRM C[C@@H]1CN(C(=O)NCc2nnc3n2CCCC3)C[C@@H](C(=O)[O-])O1 ZINC001599858271 1017645993 /nfs/dbraw/zinc/64/59/93/1017645993.db2.gz BWXXTWVVZDNKAT-ZJUUUORDSA-N -1 0 323.353 -0.002 20 0 DBADRM C[C@@H]1CN(C(=O)NCC(=O)N2CCOCC2)C[C@H]1CC(=O)[O-] ZINC001599857630 1017646046 /nfs/dbraw/zinc/64/60/46/1017646046.db2.gz QZKWMSNNDXWQAI-GHMZBOCLSA-N -1 0 313.354 -0.403 20 0 DBADRM C[C@@H]1CN(Cc2cnc(C(=O)[O-])cn2)CCN1S(C)(=O)=O ZINC001599867525 1017647233 /nfs/dbraw/zinc/64/72/33/1017647233.db2.gz XMTFJTOQNUJPON-SECBINFHSA-N -1 0 314.367 -0.360 20 0 DBADRM C[C@@H]1CN(c2nnc([C@]3(C)CNC(=O)C3)n2C)C[C@H]1C(=O)[O-] ZINC001599870186 1017647381 /nfs/dbraw/zinc/64/73/81/1017647381.db2.gz NAIHTTAHXHWTAE-NUPCCRGMSA-N -1 0 307.354 -0.250 20 0 DBADRM C[C@@H]1CN(c2nccc(C(=O)[O-])n2)CCN1S(C)(=O)=O ZINC001599869472 1017647457 /nfs/dbraw/zinc/64/74/57/1017647457.db2.gz YXTGHHMJSPAMQX-MRVPVSSYSA-N -1 0 300.340 -0.355 20 0 DBADRM C[C@@H]1CN(Cn2nnc3ccccc3c2=O)C[C@@H](C(=O)[O-])O1 ZINC001599867820 1017648328 /nfs/dbraw/zinc/64/83/28/1017648328.db2.gz USBBLKDIAAHNIN-SKDRFNHKSA-N -1 0 304.306 -0.077 20 0 DBADRM C[C@@H]1CN(c2nnc(C[C@H](O)C3CC3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599869552 1017648668 /nfs/dbraw/zinc/64/86/68/1017648668.db2.gz FZLCEARYLUUDFG-MIMYLULJSA-N -1 0 310.354 -0.193 20 0 DBADRM C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599869570 1017648846 /nfs/dbraw/zinc/64/88/46/1017648846.db2.gz GIUYPMSRVWGCJL-HLTSFMKQSA-N -1 0 309.326 -0.556 20 0 DBADRM C[C@@H]1CN(Cc2nc3c(cnn3C)c(=O)[nH]2)C[C@@H](C(=O)[O-])O1 ZINC001599867418 1017648852 /nfs/dbraw/zinc/64/88/52/1017648852.db2.gz ZELKUWZONVWSQW-APPZFPTMSA-N -1 0 307.310 -0.257 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC[C@H](N3CCOC3=O)C2)O[C@H]1C(=O)[O-] ZINC001599873670 1017649311 /nfs/dbraw/zinc/64/93/11/1017649311.db2.gz XSQVUUBWANXKGV-LMLFDSFASA-N -1 0 312.322 -0.082 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN[C@H](c3cn[nH]c3)C2)O[C@H]1C(=O)[O-] ZINC001599873552 1017649463 /nfs/dbraw/zinc/64/94/63/1017649463.db2.gz AWWPUQHVHNCQBN-SASUGWTJSA-N -1 0 308.338 -0.239 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC[C@@H](O)C2CCOCC2)O[C@H]1C(=O)[O-] ZINC001599874392 1017649509 /nfs/dbraw/zinc/64/95/09/1017649509.db2.gz AJTYGUXBDXTVHM-HJQYOEGKSA-N -1 0 301.339 -0.232 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC[C@H](S(C)(=O)=O)C2)O[C@H]1C(=O)[O-] ZINC001599873165 1017649681 /nfs/dbraw/zinc/64/96/81/1017649681.db2.gz CEWWEAYACAESQF-UTINFBMNSA-N -1 0 305.352 -0.490 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC[C@@H](S(C)(=O)=O)C2)O[C@H]1C(=O)[O-] ZINC001599873166 1017650358 /nfs/dbraw/zinc/65/03/58/1017650358.db2.gz CEWWEAYACAESQF-ZYUZMQFOSA-N -1 0 305.352 -0.490 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN(C(C)(C)CO)CC2)O[C@H]1C(=O)[O-] ZINC001599874372 1017650373 /nfs/dbraw/zinc/65/03/73/1017650373.db2.gz GNCAHLTWPOWSCU-IJLUTSLNSA-N -1 0 314.382 -0.220 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCC2N=NC(=O)N2C2CC2)O[C@H]1C(=O)[O-] ZINC001599874910 1017650973 /nfs/dbraw/zinc/65/09/73/1017650973.db2.gz DBAYZSYIZNAQSR-GTNGPMTGSA-N -1 0 310.310 -0.187 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCc3nn(C)c(=O)cc3C2)O[C@H]1C(=O)[O-] ZINC001599873624 1017650987 /nfs/dbraw/zinc/65/09/87/1017650987.db2.gz GTYIMOHUGQXRIN-XTWCZFFVSA-N -1 0 321.333 -0.457 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]3CCNC(=O)[C@@H]32)O[C@H]1C(=O)[O-] ZINC001599874858 1017651013 /nfs/dbraw/zinc/65/10/13/1017651013.db2.gz ROOWJVCUSXZMII-LZQZFOIKSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001599888458 1017652269 /nfs/dbraw/zinc/65/22/69/1017652269.db2.gz XKYZRMYTEQVQOB-SECBINFHSA-N -1 0 306.322 -0.389 20 0 DBADRM C[C@H](C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1)N(C)C ZINC001599885979 1017652675 /nfs/dbraw/zinc/65/26/75/1017652675.db2.gz YIRJISTZRZEKBF-SECBINFHSA-N -1 0 306.384 -0.525 20 0 DBADRM C[C@@]12CN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C[C@@H]1CS(=O)(=O)C2 ZINC001599884464 1017653018 /nfs/dbraw/zinc/65/30/18/1017653018.db2.gz ZSLLGYQXOJQAFQ-DNJQJEMRSA-N -1 0 316.379 -0.074 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)c1cnn(C)c1)C(=O)[O-] ZINC001599896486 1017654316 /nfs/dbraw/zinc/65/43/16/1017654316.db2.gz WEMFDVISQPSGFH-IUCAKERBSA-N -1 0 324.337 -0.523 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)COc1ccccc1C=O)C(=O)[O-] ZINC001599896581 1017654346 /nfs/dbraw/zinc/65/43/46/1017654346.db2.gz XYJWCDNFELNUFE-UWVGGRQHSA-N -1 0 322.317 -0.028 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)C(=O)c1ccc(O)cc1)C(=O)[O-] ZINC001599895393 1017654366 /nfs/dbraw/zinc/65/43/66/1017654366.db2.gz PKBFLKMEGAVCDB-YUMQZZPRSA-N -1 0 308.290 -0.331 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCc2c[nH]nc2C1)C(=O)[O-] ZINC001599896575 1017654645 /nfs/dbraw/zinc/65/46/45/1017654645.db2.gz LJVCMQLNOGYNCB-YUMQZZPRSA-N -1 0 309.326 -0.545 20 0 DBADRM C[C@H](Cc1cn(C)nn1)NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001599892645 1017654954 /nfs/dbraw/zinc/65/49/54/1017654954.db2.gz VCRUPAKXDXBFCG-MRVPVSSYSA-N -1 0 302.356 -0.470 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)CCn1cncn1 ZINC001599891908 1017654973 /nfs/dbraw/zinc/65/49/73/1017654973.db2.gz UKXFLZJSTSVMOL-SECBINFHSA-N -1 0 319.325 -0.805 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@]1(C)CCCOC1)C(=O)[O-] ZINC001599895774 1017655196 /nfs/dbraw/zinc/65/51/96/1017655196.db2.gz ATDZYAXTULRIHQ-MWODSPESSA-N -1 0 301.343 -0.168 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)c1cnn(C)n1 ZINC001599892212 1017655398 /nfs/dbraw/zinc/65/53/98/1017655398.db2.gz ZSBIOFLGZLQGGP-SSDOTTSWSA-N -1 0 305.298 -0.466 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@@H](n2cccn2)C1)C(=O)[O-] ZINC001599897826 1017656493 /nfs/dbraw/zinc/65/64/93/1017656493.db2.gz OFEJZKRXWQYPFK-GARJFASQSA-N -1 0 323.353 -0.183 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC[C@](C)(O)CC1)C(=O)[O-] ZINC001599897576 1017656888 /nfs/dbraw/zinc/65/68/88/1017656888.db2.gz IFQVZNGFTJMWBS-BHDSKKPTSA-N -1 0 315.370 -0.089 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@@]2(CCOC2)C1)C(=O)[O-] ZINC001599897596 1017656972 /nfs/dbraw/zinc/65/69/72/1017656972.db2.gz ITFSAUOWACLQOY-PKFCDNJMSA-N -1 0 313.354 -0.214 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCOCC2(CC2)C1)C(=O)[O-] ZINC001599897032 1017656979 /nfs/dbraw/zinc/65/69/79/1017656979.db2.gz SWQGJUNGDPENQN-UWVGGRQHSA-N -1 0 313.354 -0.214 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H](CO)CC(F)F)C(=O)[O-] ZINC001599897233 1017657160 /nfs/dbraw/zinc/65/71/60/1017657160.db2.gz XCVCEAZWOXBMPZ-ACZMJKKPSA-N -1 0 311.285 -0.721 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCC[C@H]1CCCO1)C(=O)[O-] ZINC001599896986 1017657196 /nfs/dbraw/zinc/65/71/96/1017657196.db2.gz CTIGPKUTKXNORO-LPEHRKFASA-N -1 0 301.343 -0.168 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCCNc1cnccn1)C(=O)[O-] ZINC001599896962 1017657202 /nfs/dbraw/zinc/65/72/02/1017657202.db2.gz CHUIWEHGEHOGPI-IUCAKERBSA-N -1 0 324.341 -0.835 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@@H]1CC[C@H](O)C1)C(=O)[O-] ZINC001599896965 1017657260 /nfs/dbraw/zinc/65/72/60/1017657260.db2.gz RNOZPLBLTYJFIW-QEYWKRMJSA-N -1 0 301.343 -0.576 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@H]1CCCCO1)C(=O)[O-] ZINC001599898063 1017657344 /nfs/dbraw/zinc/65/73/44/1017657344.db2.gz SQXSDDOAUIRJTC-LPEHRKFASA-N -1 0 301.343 -0.168 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1CCCOCC1)C(=O)[O-] ZINC001599897329 1017657376 /nfs/dbraw/zinc/65/73/76/1017657376.db2.gz YPKXYHHJRKXERI-LPEHRKFASA-N -1 0 301.343 -0.168 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1C[C@@H]2COC[C@@]2(C)C1)C(=O)[O-] ZINC001599898671 1017657392 /nfs/dbraw/zinc/65/73/92/1017657392.db2.gz YWIVPOZLFOYRET-LFNDISMMSA-N -1 0 313.354 -0.358 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC[C@@](C)(O)C1)C(=O)[O-] ZINC001599898690 1017658127 /nfs/dbraw/zinc/65/81/27/1017658127.db2.gz ZSLIUYVAIKHNSI-MWODSPESSA-N -1 0 301.343 -0.479 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cc(CN(C)C)on1)C(=O)[O-] ZINC001599899646 1017658237 /nfs/dbraw/zinc/65/82/37/1017658237.db2.gz MKZBHJNSAJMUQU-YUMQZZPRSA-N -1 0 312.326 -0.556 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-])C(N)=O ZINC001599901796 1017658462 /nfs/dbraw/zinc/65/84/62/1017658462.db2.gz UZNXAUXGAFNLBD-BYPYZUCNSA-N -1 0 307.715 -0.415 20 0 DBADRM C[C@H](O)C1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001599903586 1017658618 /nfs/dbraw/zinc/65/86/18/1017658618.db2.gz QMQUQKNPVGYVBF-WCQGTBRESA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=S)NC[C@H]1CCOC1)C(=O)[O-] ZINC001599899254 1017658701 /nfs/dbraw/zinc/65/87/01/1017658701.db2.gz TYLJGSGIXBHZBM-XHNCKOQMSA-N -1 0 303.384 -0.535 20 0 DBADRM C[C@H]1C(=O)NCCCN1S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001599905761 1017658741 /nfs/dbraw/zinc/65/87/41/1017658741.db2.gz VCPCBSVZWDAWPB-QMMMGPOBSA-N -1 0 313.335 -0.321 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001599902500 1017659481 /nfs/dbraw/zinc/65/94/81/1017659481.db2.gz BEMZUQKVIRBJEJ-QXEWZRGKSA-N -1 0 310.306 -0.166 20 0 DBADRM C[C@H](O)C1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1 ZINC001599903669 1017659609 /nfs/dbraw/zinc/65/96/09/1017659609.db2.gz YZZJQTCTDAPRNI-JQWIXIFHSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001599902497 1017659778 /nfs/dbraw/zinc/65/97/78/1017659778.db2.gz BEMZUQKVIRBJEJ-ATZCPNFKSA-N -1 0 310.306 -0.166 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599909611 1017661109 /nfs/dbraw/zinc/66/11/09/1017661109.db2.gz VARAIIUYTANSHN-AXFHLTTASA-N -1 0 314.338 -0.818 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccn2)C[C@@H](C(=O)[O-])O1 ZINC001599909439 1017661290 /nfs/dbraw/zinc/66/12/90/1017661290.db2.gz QSUODQJGUOTCGR-JQWIXIFHSA-N -1 0 321.333 -0.260 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](F)C2)C[C@@H](C(=O)[O-])O1 ZINC001599909869 1017661325 /nfs/dbraw/zinc/66/13/25/1017661325.db2.gz AMQHYSXBATUGKS-AEJSXWLSSA-N -1 0 302.302 -0.353 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCC[S@@](C)=O)CC[C@H]1C(=O)[O-] ZINC001599914024 1017662695 /nfs/dbraw/zinc/66/26/95/1017662695.db2.gz WCNCSEPVSMEESH-PKPDKRHSSA-N -1 0 304.368 -0.950 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)C[C@@H](C(=O)[O-])O1 ZINC001599912215 1017663233 /nfs/dbraw/zinc/66/32/33/1017663233.db2.gz RKBBNGSXUZJPMT-WPRPVWTQSA-N -1 0 323.305 -0.976 20 0 DBADRM C[C@H]1CN(C(=O)C[C@@H]2C=CS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001599915766 1017663497 /nfs/dbraw/zinc/66/34/97/1017663497.db2.gz SNPSIDUADMVISI-GUBZILKMSA-N -1 0 303.336 -0.365 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC001599911712 1017663823 /nfs/dbraw/zinc/66/38/23/1017663823.db2.gz GCEVQIZIMQSBQM-AXFHLTTASA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc3n[nH]c(=O)n3c2)C[C@@H](C(=O)[O-])O1 ZINC001599925713 1017664940 /nfs/dbraw/zinc/66/49/40/1017664940.db2.gz YBQUKRGYJGODED-CBAPKCEASA-N -1 0 306.278 -0.251 20 0 DBADRM C[C@H]1CN(C(=O)NCc2nnc3n2CCC3)C[C@@H](C(=O)[O-])O1 ZINC001599921830 1017665585 /nfs/dbraw/zinc/66/55/85/1017665585.db2.gz VDPAIBRWMPJIQT-IUCAKERBSA-N -1 0 309.326 -0.392 20 0 DBADRM C[C@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@@H](C(=O)[O-])O1 ZINC001599926968 1017665658 /nfs/dbraw/zinc/66/56/58/1017665658.db2.gz VXPGQURKVJWRLR-CBAPKCEASA-N -1 0 317.319 -0.003 20 0 DBADRM C[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])n(C)n2)CCS1(=O)=O ZINC001599922062 1017665961 /nfs/dbraw/zinc/66/59/61/1017665961.db2.gz OPKFKTZPWRZCQD-ZETCQYMHSA-N -1 0 316.339 -0.231 20 0 DBADRM C[C@H]1CN(C(=O)Nc2cccc(C(N)=O)n2)C[C@@H](C(=O)[O-])O1 ZINC001599922232 1017666127 /nfs/dbraw/zinc/66/61/27/1017666127.db2.gz CKLMMNXQTJTKKQ-CBAPKCEASA-N -1 0 308.294 -0.114 20 0 DBADRM C[C@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599917975 1017666483 /nfs/dbraw/zinc/66/64/83/1017666483.db2.gz VEXMAKYXGZXERQ-IUCAKERBSA-N -1 0 307.368 -0.100 20 0 DBADRM C[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C1 ZINC001599933585 1017667392 /nfs/dbraw/zinc/66/73/92/1017667392.db2.gz IKMOOHCQDJCGIJ-QJPTWQEYSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1 ZINC001599933983 1017667907 /nfs/dbraw/zinc/66/79/07/1017667907.db2.gz RDJDEEYQJPPVES-QYKGAGETSA-N -1 0 324.377 -0.169 20 0 DBADRM C[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C1 ZINC001599933589 1017668864 /nfs/dbraw/zinc/66/88/64/1017668864.db2.gz IKMOOHCQDJCGIJ-TUAOUCFPSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@H]1CN([C@H]2CCN(C3CCOCC3)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599927664 1017668935 /nfs/dbraw/zinc/66/89/35/1017668935.db2.gz ZNLJDBLSGWEESP-DRZSPHRISA-N -1 0 312.366 -0.060 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001599941858 1017670764 /nfs/dbraw/zinc/67/07/64/1017670764.db2.gz WWGXOOANJJEDTM-RNFRBKRXSA-N -1 0 313.335 -0.313 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC001599957987 1017671053 /nfs/dbraw/zinc/67/10/53/1017671053.db2.gz JWOSGLTUIYDDER-UHFFFAOYSA-N -1 0 320.305 -0.021 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001599954756 1017671849 /nfs/dbraw/zinc/67/18/49/1017671849.db2.gz VWGIZKCCYGGQKQ-MRVPVSSYSA-N -1 0 320.305 -0.294 20 0 DBADRM C[C@H]1OCCO[C@H]1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599936600 1017672390 /nfs/dbraw/zinc/67/23/90/1017672390.db2.gz XYYUCBUULPJYHO-FXPVBKGRSA-N -1 0 310.310 -0.446 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001599967848 1017673623 /nfs/dbraw/zinc/67/36/23/1017673623.db2.gz CSQAHYVJLZSVKY-WUNPDAOYSA-N -1 0 320.349 -0.230 20 0 DBADRM Cc1nc[nH]c1CC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001599968446 1017673995 /nfs/dbraw/zinc/67/39/95/1017673995.db2.gz UVICAMFHVXGTJI-NXEZZACHSA-N -1 0 308.338 -0.444 20 0 DBADRM Cc1c(Br)c(C(=O)N[C@H](CO)C(=O)[O-])nn1C ZINC001599970757 1017674152 /nfs/dbraw/zinc/67/41/52/1017674152.db2.gz XJTUDICEDTWBID-RXMQYKEDSA-N -1 0 306.116 -0.334 20 0 DBADRM Cc1c(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])nnn1C(C)C ZINC001599976467 1017674319 /nfs/dbraw/zinc/67/43/19/1017674319.db2.gz CMBVIDQSMIGAJP-SECBINFHSA-N -1 0 309.326 -0.417 20 0 DBADRM Cc1n[nH]cc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001599969515 1017674409 /nfs/dbraw/zinc/67/44/09/1017674409.db2.gz YNOZMOWBNXQFEI-NXEZZACHSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1c(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nnn1C ZINC001599979691 1017675137 /nfs/dbraw/zinc/67/51/37/1017675137.db2.gz GETCFLPIJVAAEN-HIHHVFROSA-N -1 0 321.337 -0.754 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)CN2C(=O)CN(C)C2=O)n1C ZINC001599990773 1017676135 /nfs/dbraw/zinc/67/61/35/1017676135.db2.gz HXGZQAJTHRJEOR-UHFFFAOYSA-N -1 0 322.321 -0.458 20 0 DBADRM Cc1c(C(=O)N[C@H](C)CNc2ccnc(C(=O)[O-])n2)nnn1C ZINC001599982584 1017676169 /nfs/dbraw/zinc/67/61/69/1017676169.db2.gz DVIGYMQEOBZTGK-SSDOTTSWSA-N -1 0 319.325 -0.736 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)[C@H](O)Cc2cnn(C)c2)n1C ZINC001599989832 1017676174 /nfs/dbraw/zinc/67/61/74/1017676174.db2.gz UCOWCMBVMIYMQK-CYBMUJFWSA-N -1 0 320.349 -0.015 20 0 DBADRM Cc1c(C(=O)N[C@@H](C)CNc2ccnc(C(=O)[O-])n2)nnn1C ZINC001599981580 1017676242 /nfs/dbraw/zinc/67/62/42/1017676242.db2.gz DVIGYMQEOBZTGK-ZETCQYMHSA-N -1 0 319.325 -0.736 20 0 DBADRM Cc1c(C(=O)NC[C@H](O)CC(=O)[O-])cnn1-c1ccc(=O)[nH]n1 ZINC001599980511 1017676365 /nfs/dbraw/zinc/67/63/65/1017676365.db2.gz UOEXRHHJMYLYIR-MRVPVSSYSA-N -1 0 321.293 -0.758 20 0 DBADRM Cc1c(C(=O)NCCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cnn1C ZINC001599980440 1017676450 /nfs/dbraw/zinc/67/64/50/1017676450.db2.gz MBXSGWFLJWHJJA-ZJUUUORDSA-N -1 0 308.338 -0.315 20 0 DBADRM Cc1c(Cl)cncc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001600017344 1017678029 /nfs/dbraw/zinc/67/80/29/1017678029.db2.gz DLBGKWZUBGQGCB-ZETCQYMHSA-N -1 0 315.713 -0.066 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)cccc1C(=O)[O-] ZINC001600025833 1017678847 /nfs/dbraw/zinc/67/88/47/1017678847.db2.gz YKNIZOKOHCQPQL-SECBINFHSA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@H]2CCSC2)cnn1CC(=O)[O-] ZINC001600028988 1017679913 /nfs/dbraw/zinc/67/99/13/1017679913.db2.gz WCUXZCPMTPJPPG-QMMMGPOBSA-N -1 0 312.351 -0.164 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H]2CCCOC2)cnn1CC(=O)[O-] ZINC001600030011 1017680043 /nfs/dbraw/zinc/68/00/43/1017680043.db2.gz ZYNPWETUCZYFSU-SECBINFHSA-N -1 0 310.310 -0.490 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCN2CC=CC2)cnn1CC(=O)[O-] ZINC001600029207 1017680096 /nfs/dbraw/zinc/68/00/96/1017680096.db2.gz RBFJLCHLTGOUNV-UHFFFAOYSA-N -1 0 321.337 -0.797 20 0 DBADRM Cc1c(NC(=O)C(=O)NCc2ccc[nH]2)cnn1CC(=O)[O-] ZINC001600029941 1017680445 /nfs/dbraw/zinc/68/04/45/1017680445.db2.gz VTWAOWMNTGPNSQ-UHFFFAOYSA-N -1 0 305.294 -0.141 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001600067353 1017681379 /nfs/dbraw/zinc/68/13/79/1017681379.db2.gz YROTTZYRGFCPJY-HNNXBMFYSA-N -1 0 321.333 -0.045 20 0 DBADRM Cc1c[nH]c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001600060794 1017681749 /nfs/dbraw/zinc/68/17/49/1017681749.db2.gz PMFVLRWFIXFXSI-APLZJWDSSA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n(C)n1 ZINC001600077522 1017681818 /nfs/dbraw/zinc/68/18/18/1017681818.db2.gz OAJVCMHGODGFKC-GHMZBOCLSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cc(=O)cc(C)n1CCCC(=O)OCC(=O)NCC(=O)[O-] ZINC001600067389 1017681982 /nfs/dbraw/zinc/68/19/82/1017681982.db2.gz ZKGCLLLMSCXMPB-UHFFFAOYSA-N -1 0 324.333 -0.011 20 0 DBADRM Cc1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cnn1 ZINC001600079166 1017682215 /nfs/dbraw/zinc/68/22/15/1017682215.db2.gz FTCQOECXGHTGQB-UHFFFAOYSA-N -1 0 308.338 -0.356 20 0 DBADRM Cc1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cc(=O)[nH]1 ZINC001600079057 1017682296 /nfs/dbraw/zinc/68/22/96/1017682296.db2.gz CNLQADMETPYCPQ-UHFFFAOYSA-N -1 0 323.349 -0.045 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600060974 1017682362 /nfs/dbraw/zinc/68/23/62/1017682362.db2.gz SGTUJKSRFBDAKU-QCLAVDOMSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n(C)n1 ZINC001600077523 1017682467 /nfs/dbraw/zinc/68/24/67/1017682467.db2.gz OAJVCMHGODGFKC-MNOVXSKESA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cc(C(=O)N2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)no1 ZINC001600080711 1017683952 /nfs/dbraw/zinc/68/39/52/1017683952.db2.gz JNLGWRXFOHCSHH-UWVGGRQHSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCCN(CC(N)=O)C2)oc1C(=O)[O-] ZINC001600090225 1017684128 /nfs/dbraw/zinc/68/41/28/1017684128.db2.gz CRQJOCHIDKNITH-VIFPVBQESA-N -1 0 309.322 -0.034 20 0 DBADRM Cc1cc(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)ncc1C(N)=O ZINC001600092239 1017684246 /nfs/dbraw/zinc/68/42/46/1017684246.db2.gz PGGXGXVIGAXAQU-KOLCDFICSA-N -1 0 321.333 -0.044 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](O)CN2CCCC2=O)oc1C(=O)[O-] ZINC001600091551 1017684255 /nfs/dbraw/zinc/68/42/55/1017684255.db2.gz AXDRBXVXNNBMCB-SECBINFHSA-N -1 0 310.306 -0.001 20 0 DBADRM Cc1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])ncc1C(N)=O ZINC001600083780 1017684352 /nfs/dbraw/zinc/68/43/52/1017684352.db2.gz PDQPMZDYURWDJW-SECBINFHSA-N -1 0 307.306 -0.195 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](CO)Nc2ncc(C(=O)[O-])cn2)no1 ZINC001600092769 1017684414 /nfs/dbraw/zinc/68/44/14/1017684414.db2.gz ZSGHUHDFUUZDEX-VIFPVBQESA-N -1 0 321.293 -0.326 20 0 DBADRM Cc1cc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c(C)n1NC(N)=O ZINC001600082215 1017684452 /nfs/dbraw/zinc/68/44/52/1017684452.db2.gz PRNZUOHBYJVFKC-QWRGUYRKSA-N -1 0 324.337 -0.223 20 0 DBADRM Cc1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)ncn1 ZINC001600093388 1017684457 /nfs/dbraw/zinc/68/44/57/1017684457.db2.gz ZEZQVONLPXCCGZ-NXEZZACHSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)n1 ZINC001600126546 1017685131 /nfs/dbraw/zinc/68/51/31/1017685131.db2.gz SDXYWULZMJQWAP-APPZFPTMSA-N -1 0 314.367 -0.156 20 0 DBADRM Cc1cc([C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(=O)[O-])ccc1F ZINC001600150696 1017685741 /nfs/dbraw/zinc/68/57/41/1017685741.db2.gz PCQSMDUEDAILSX-GXSJLCMTSA-N -1 0 323.280 -0.026 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)n1 ZINC001600126644 1017685787 /nfs/dbraw/zinc/68/57/87/1017685787.db2.gz FLTJSCLLHBOVCJ-OKILXGFUSA-N -1 0 304.306 -0.028 20 0 DBADRM Cc1cc(C)c(CC(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c(=O)[nH]1 ZINC001600160101 1017685900 /nfs/dbraw/zinc/68/59/00/1017685900.db2.gz JTKVGJCINPICGA-NSHDSACASA-N -1 0 321.333 -0.300 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N(CCO)CCO ZINC001600118941 1017686199 /nfs/dbraw/zinc/68/61/99/1017686199.db2.gz HCVVRBQLWZORDK-UHFFFAOYSA-N -1 0 310.306 -0.555 20 0 DBADRM Cc1cc(C2(C(=O)NCCNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)on1 ZINC001600183006 1017686939 /nfs/dbraw/zinc/68/69/39/1017686939.db2.gz SHLXYMZIGKOHCZ-UWVGGRQHSA-N -1 0 321.333 -0.032 20 0 DBADRM Cc1cc(C)n(CC(=O)NCCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001600178792 1017687037 /nfs/dbraw/zinc/68/70/37/1017687037.db2.gz KODBLTGSYSZLMI-VXGBXAGGSA-N -1 0 322.365 -0.157 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](O)[C@H]3C(=O)[O-])nc2n1 ZINC001600179718 1017687082 /nfs/dbraw/zinc/68/70/82/1017687082.db2.gz LRXVGUZYUYWHPJ-ZJUUUORDSA-N -1 0 319.321 -0.209 20 0 DBADRM Cc1cc(CC(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001600187532 1017687282 /nfs/dbraw/zinc/68/72/82/1017687282.db2.gz MWMJNVXRDYWQHR-WDEREUQCSA-N -1 0 306.322 -0.692 20 0 DBADRM Cc1cc(C)n(CC(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001600179401 1017687424 /nfs/dbraw/zinc/68/74/24/1017687424.db2.gz ZMDWXFXJMWLDCW-GHMZBOCLSA-N -1 0 308.338 -0.547 20 0 DBADRM Cc1cc(C)n([C@H](C)C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC001600177812 1017687537 /nfs/dbraw/zinc/68/75/37/1017687537.db2.gz NQSDACOKJGCZDB-GHMZBOCLSA-N -1 0 308.338 -0.137 20 0 DBADRM Cc1cc(CC(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)no1 ZINC001600187522 1017687549 /nfs/dbraw/zinc/68/75/49/1017687549.db2.gz MERAGMFUBSMHSP-WDEREUQCSA-N -1 0 307.306 -0.427 20 0 DBADRM Cc1nn2c(nc(C)cc2C)c1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600180844 1017687572 /nfs/dbraw/zinc/68/75/72/1017687572.db2.gz XUVBMRORGLELKY-UHFFFAOYSA-N -1 0 304.306 -0.074 20 0 DBADRM Cc1cc(C)n(CC(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001600179404 1017687701 /nfs/dbraw/zinc/68/77/01/1017687701.db2.gz ZMDWXFXJMWLDCW-WDEREUQCSA-N -1 0 308.338 -0.547 20 0 DBADRM Cc1cc(C)n(CC(=O)N(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600177317 1017687709 /nfs/dbraw/zinc/68/77/09/1017687709.db2.gz CLPBTZFRTSXAIU-RYUDHWBXSA-N -1 0 322.365 -0.205 20 0 DBADRM Cc1cc(C)n(CC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)c(=O)n1 ZINC001600178794 1017687769 /nfs/dbraw/zinc/68/77/69/1017687769.db2.gz KRRFGOHUSVLLQK-WPRPVWTQSA-N -1 0 315.276 -0.058 20 0 DBADRM Cc1cc(CC(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)no1 ZINC001600187246 1017687893 /nfs/dbraw/zinc/68/78/93/1017687893.db2.gz BJVZRVVGTNXVMA-NEPJUHHUSA-N -1 0 321.333 -0.179 20 0 DBADRM Cc1cc(CCNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])nn1C ZINC001600187720 1017688028 /nfs/dbraw/zinc/68/80/28/1017688028.db2.gz AULIJRZHZOVCGU-GFCCVEGCSA-N -1 0 322.365 -0.147 20 0 DBADRM Cc1nn2c(nc(C)cc2C)c1C(=O)NCC(=O)NCC(=O)[O-] ZINC001600180534 1017688032 /nfs/dbraw/zinc/68/80/32/1017688032.db2.gz BGUVOTWHJNGBIN-UHFFFAOYSA-N -1 0 319.321 -0.415 20 0 DBADRM Cc1cc(CCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)nn1C ZINC001600188939 1017689471 /nfs/dbraw/zinc/68/94/71/1017689471.db2.gz YRZMLCRCMRJOMT-JTQLQIEISA-N -1 0 308.338 -0.680 20 0 DBADRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCNC1=O ZINC001600225804 1017689583 /nfs/dbraw/zinc/68/95/83/1017689583.db2.gz VAFVCMHQHAEUBX-VIFPVBQESA-N -1 0 316.310 -0.001 20 0 DBADRM Cc1cc(F)ccc1CCNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600234071 1017690153 /nfs/dbraw/zinc/69/01/53/1017690153.db2.gz WKKDXAYSRSSEML-UHFFFAOYSA-N -1 0 324.308 -0.549 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)c(=O)n(C)c1 ZINC001600242808 1017691546 /nfs/dbraw/zinc/69/15/46/1017691546.db2.gz BISZFVHCLCQMGB-UHFFFAOYSA-N -1 0 319.317 -0.292 20 0 DBADRM Cc1cc(N2CC[C@@]3(CNC(=O)C3)C2)n2nc(C(=O)[O-])nc2n1 ZINC001600240071 1017691705 /nfs/dbraw/zinc/69/17/05/1017691705.db2.gz OFVIABJBNZSEHA-CQSZACIVSA-N -1 0 316.321 -0.153 20 0 DBADRM Cc1cc(N2CC[C@H](n3cc(CC(=O)[O-])nn3)C2=O)n(C)n1 ZINC001600239742 1017691890 /nfs/dbraw/zinc/69/18/90/1017691890.db2.gz DPLIABSSJPMXAG-JTQLQIEISA-N -1 0 304.310 -0.075 20 0 DBADRM Cc1cc(NC(=O)CN2C(=O)CNC2=O)nc(C)c1C(=O)[O-] ZINC001600255538 1017693575 /nfs/dbraw/zinc/69/35/75/1017693575.db2.gz SNEWXDBDWUVYPI-UHFFFAOYSA-N -1 0 306.278 -0.113 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001600284284 1017693778 /nfs/dbraw/zinc/69/37/78/1017693778.db2.gz DEPBCVINPHOIJN-RISCZKNCSA-N -1 0 324.333 -0.311 20 0 DBADRM Cc1cc(NCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])nc(CO)n1 ZINC001600281360 1017694000 /nfs/dbraw/zinc/69/40/00/1017694000.db2.gz ZPSWNUNAEVUOMJ-ZJUUUORDSA-N -1 0 308.338 -0.132 20 0 DBADRM Cc1cc(NC(=O)CN[C@H](C(=O)[O-])c2ccnn2C)n(C)n1 ZINC001600256479 1017694097 /nfs/dbraw/zinc/69/40/97/1017694097.db2.gz PQPDVVXWULGFKL-LBPRGKRZSA-N -1 0 306.326 -0.184 20 0 DBADRM Cc1cc(NCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])nc(CO)n1 ZINC001600281357 1017694217 /nfs/dbraw/zinc/69/42/17/1017694217.db2.gz ZPSWNUNAEVUOMJ-NXEZZACHSA-N -1 0 308.338 -0.132 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001600284282 1017694324 /nfs/dbraw/zinc/69/43/24/1017694324.db2.gz DEPBCVINPHOIJN-BXUZGUMPSA-N -1 0 324.333 -0.311 20 0 DBADRM Cc1cc(NC(=O)CN2CCN(C(=O)CC(=O)[O-])CC2)no1 ZINC001600254135 1017694343 /nfs/dbraw/zinc/69/43/43/1017694343.db2.gz DKPOJMODXWXXIK-UHFFFAOYSA-N -1 0 310.310 -0.460 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001600284901 1017694380 /nfs/dbraw/zinc/69/43/80/1017694380.db2.gz YQQZNJGMKMJYLR-ZYHUDNBSSA-N -1 0 324.333 -0.454 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCc2cnn(C)n2)c(C(=O)[O-])[nH]1 ZINC001600250287 1017694594 /nfs/dbraw/zinc/69/45/94/1017694594.db2.gz KHTPUWAGWBRKGV-UHFFFAOYSA-N -1 0 306.282 -0.595 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c(C)o1 ZINC001600295252 1017695448 /nfs/dbraw/zinc/69/54/48/1017695448.db2.gz TYXYEOWWGHEUBZ-SECBINFHSA-N -1 0 316.335 -0.140 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)NC1(CC(=O)[O-])CC1 ZINC001600302439 1017695806 /nfs/dbraw/zinc/69/58/06/1017695806.db2.gz RPAOEXOOHZUPPD-UHFFFAOYSA-N -1 0 302.308 -0.027 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)NOCCCC(=O)[O-] ZINC001600302205 1017695928 /nfs/dbraw/zinc/69/59/28/1017695928.db2.gz MBLAIWABILQWQU-UHFFFAOYSA-N -1 0 306.296 -0.238 20 0 DBADRM Cc1ccc(C(=O)NC[C@H](O)CNc2ccnc(C(=O)[O-])n2)o1 ZINC001600338875 1017697619 /nfs/dbraw/zinc/69/76/19/1017697619.db2.gz UKNYVRKFRKKGHE-SECBINFHSA-N -1 0 320.305 -0.299 20 0 DBADRM Cc1ccc(C(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c(=O)[nH]1 ZINC001600340073 1017697666 /nfs/dbraw/zinc/69/76/66/1017697666.db2.gz BFYDCZYLQHOCFY-ZJUUUORDSA-N -1 0 307.306 -0.338 20 0 DBADRM Cc1ccc(C(=O)NC[C@H](C)Nc2ccnc(C(=O)[O-])n2)nn1 ZINC001600338811 1017697702 /nfs/dbraw/zinc/69/77/02/1017697702.db2.gz GPDRCGNCYFXEGJ-VIFPVBQESA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1ccc(C(=O)NC[C@@]2(CO)COCCN2)cc1C(=O)[O-] ZINC001600338285 1017697921 /nfs/dbraw/zinc/69/79/21/1017697921.db2.gz HOPDWYZAWYQWMG-OAHLLOKOSA-N -1 0 308.334 -0.226 20 0 DBADRM Cc1ccc(C(=O)NCCC(=O)NC[C@@H](O)CC(=O)[O-])c(O)c1 ZINC001600339505 1017698338 /nfs/dbraw/zinc/69/83/38/1017698338.db2.gz KLJQGKUEZPXCEP-JTQLQIEISA-N -1 0 324.333 -0.228 20 0 DBADRM Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])o1 ZINC001600331147 1017698443 /nfs/dbraw/zinc/69/84/43/1017698443.db2.gz HPWLQAXEOSIPKG-WDEREUQCSA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1ccc(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c(=O)n1C ZINC001600415552 1017698463 /nfs/dbraw/zinc/69/84/63/1017698463.db2.gz SQLABFJCWVSRJX-VXGBXAGGSA-N -1 0 323.349 -0.329 20 0 DBADRM Cc1ccc(NC(=O)NCC(=O)NCC(=O)[O-])c(N(C)C)n1 ZINC001600451524 1017699470 /nfs/dbraw/zinc/69/94/70/1017699470.db2.gz NVNHIUAXSICQOM-UHFFFAOYSA-N -1 0 309.326 -0.222 20 0 DBADRM Cc1ccc(S(N)(=O)=O)c(C(=O)O[C@H](C)C(=O)C(=O)[O-])c1 ZINC001600483934 1017699575 /nfs/dbraw/zinc/69/95/75/1017699575.db2.gz GSHSXGUTSBLTKB-SSDOTTSWSA-N -1 0 315.303 -0.159 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cn1 ZINC001600439830 1017699699 /nfs/dbraw/zinc/69/96/99/1017699699.db2.gz PYWYNFYDCMBUIK-QWRGUYRKSA-N -1 0 307.306 -0.235 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)cc1C(=O)[O-] ZINC001600439535 1017699798 /nfs/dbraw/zinc/69/97/98/1017699798.db2.gz GUBLJCNRWDKSBL-QWRGUYRKSA-N -1 0 308.290 -0.804 20 0 DBADRM Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)CC2 ZINC001600494229 1017699825 /nfs/dbraw/zinc/69/98/25/1017699825.db2.gz VPARJILKORGRSU-LBPRGKRZSA-N -1 0 318.329 -0.244 20 0 DBADRM Cc1ccc(F)c(CN(C)C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001600428425 1017699968 /nfs/dbraw/zinc/69/99/68/1017699968.db2.gz DYYJOTJKVPVANA-UHFFFAOYSA-N -1 0 324.308 -0.250 20 0 DBADRM Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)CC2 ZINC001600494228 1017700458 /nfs/dbraw/zinc/70/04/58/1017700458.db2.gz VPARJILKORGRSU-GFCCVEGCSA-N -1 0 318.329 -0.244 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)N[C@H](CCF)C(=O)[O-])c(=O)c1 ZINC001600595659 1017701312 /nfs/dbraw/zinc/70/13/12/1017701312.db2.gz SCXBXOCGCACXFE-YGRLFVJLSA-N -1 0 314.313 -0.163 20 0 DBADRM Cc1cccc(S(=O)(=O)NCCn2ncnn2)c1C(=O)[O-] ZINC001600549135 1017701444 /nfs/dbraw/zinc/70/14/44/1017701444.db2.gz HYGJZMNXEXUSGP-UHFFFAOYSA-N -1 0 311.323 -0.342 20 0 DBADRM Cc1cccc2c1N(C(=O)C(=O)NC[C@H](O)CC(=O)[O-])CC2 ZINC001600558872 1017701715 /nfs/dbraw/zinc/70/17/15/1017701715.db2.gz RNBDLJOYHWPBSB-LLVKDONJSA-N -1 0 306.318 -0.164 20 0 DBADRM Cc1ccn(CC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c(=O)c1 ZINC001600595713 1017701994 /nfs/dbraw/zinc/70/19/94/1017701994.db2.gz VFYZDJNMOWTFAA-AWEZNQCLSA-N -1 0 308.334 -0.159 20 0 DBADRM Cc1cccc(S(=O)(=O)N2C[C@H](O)[C@H](CO)C2)c1C(=O)[O-] ZINC001600548395 1017702063 /nfs/dbraw/zinc/70/20/63/1017702063.db2.gz WPJRNYHYDDFRQH-UWVGGRQHSA-N -1 0 315.347 -0.333 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCC1(C(=O)[O-])CC1 ZINC001600510249 1017702306 /nfs/dbraw/zinc/70/23/06/1017702306.db2.gz QOFQIQRSKRDVQN-AWEZNQCLSA-N -1 0 308.334 -0.111 20 0 DBADRM C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)c1ncccc1[O-] ZINC001498261672 1017702646 /nfs/dbraw/zinc/70/26/46/1017702646.db2.gz HZLZHBUBLFDEFR-BDAKNGLRSA-N -1 0 323.353 -0.579 20 0 DBADRM Cc1ccn(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600595851 1017703444 /nfs/dbraw/zinc/70/34/44/1017703444.db2.gz ZHSCMTUWRKTBKU-KKOKHZNYSA-N -1 0 320.349 -0.324 20 0 DBADRM CCn1ccnc1C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001498266404 1017703845 /nfs/dbraw/zinc/70/38/45/1017703845.db2.gz MJNOKIMYGWZXJD-SECBINFHSA-N -1 0 307.358 -0.023 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1)c2=O ZINC001600596371 1017704124 /nfs/dbraw/zinc/70/41/24/1017704124.db2.gz ANGXKUZNYILYJT-DXPFQBAHSA-N -1 0 317.301 -0.289 20 0 DBADRM Cc1ccn2ncc(C(=O)N3CCN(CC(=O)[O-])CC3)c2n1 ZINC001600596365 1017704191 /nfs/dbraw/zinc/70/41/91/1017704191.db2.gz KBGZMLSOYTVREB-UHFFFAOYSA-N -1 0 303.322 -0.120 20 0 DBADRM Cc1cnc(C(=O)N[C@@H](C)CNc2ccnc(C(=O)[O-])n2)cn1 ZINC001600616555 1017704540 /nfs/dbraw/zinc/70/45/40/1017704540.db2.gz CWRLULAOTWOZTK-VIFPVBQESA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@@H](CCF)C(=O)[O-] ZINC001600625524 1017704896 /nfs/dbraw/zinc/70/48/96/1017704896.db2.gz GPIKJJSCEAIEGX-ZETCQYMHSA-N -1 0 319.314 -0.269 20 0 DBADRM Cc1cn2c(n1)C[C@H](C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-])CC2 ZINC001600615789 1017705023 /nfs/dbraw/zinc/70/50/23/1017705023.db2.gz WYJOKZOHZLJVMO-GHMZBOCLSA-N -1 0 320.349 -0.492 20 0 DBADRM Cc1cn2nnc(C(=O)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)c2c(=O)[nH]1 ZINC001600614206 1017705034 /nfs/dbraw/zinc/70/50/34/1017705034.db2.gz AMLUTILDLXNZGM-JIGDXULJSA-N -1 0 303.278 -0.459 20 0 DBADRM Cc1cn(C)nc1NC(=O)C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001600612444 1017705588 /nfs/dbraw/zinc/70/55/88/1017705588.db2.gz HUTIHZIZIUNPLI-CYBMUJFWSA-N -1 0 310.310 -0.583 20 0 DBADRM Cc1cn2nnc(C(=O)N3CCSC[C@H]3C(=O)[O-])c2c(=O)[nH]1 ZINC001600615629 1017705965 /nfs/dbraw/zinc/70/59/65/1017705965.db2.gz YVYLOCGDDWFKTF-ZETCQYMHSA-N -1 0 323.334 -0.219 20 0 DBADRM Cc1cnc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cn1 ZINC001600616819 1017706062 /nfs/dbraw/zinc/70/60/62/1017706062.db2.gz LKJRFQYJEGTYIV-NXEZZACHSA-N -1 0 306.322 -0.258 20 0 DBADRM Cc1cnc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cn1 ZINC001600617200 1017706134 /nfs/dbraw/zinc/70/61/34/1017706134.db2.gz XOUVALJDEDSQRR-LVUHIJSRSA-N -1 0 318.333 -0.092 20 0 DBADRM Cc1cncc(CC(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001600629319 1017706769 /nfs/dbraw/zinc/70/67/69/1017706769.db2.gz PPESHHAAQDXPDF-STQMWFEESA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1cncc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c1 ZINC001600628148 1017707130 /nfs/dbraw/zinc/70/71/30/1017707130.db2.gz ZREAETNJSJLYSG-MNOVXSKESA-N -1 0 307.306 -0.235 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001600635698 1017707371 /nfs/dbraw/zinc/70/73/71/1017707371.db2.gz SKDSRHLTNRGSHM-RKDXNWHRSA-N -1 0 303.340 -0.673 20 0 DBADRM Cc1cnn(CC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)c1 ZINC001600637098 1017708768 /nfs/dbraw/zinc/70/87/68/1017708768.db2.gz WKNSQHWTBBHDQK-JOYOIKCWSA-N -1 0 315.351 -0.804 20 0 DBADRM Cc1csc(CCNC(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001600658160 1017708783 /nfs/dbraw/zinc/70/87/83/1017708783.db2.gz YBEXKXJVSWHBPK-RKDXNWHRSA-N -1 0 311.363 -0.053 20 0 DBADRM Cc1conc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600644535 1017709001 /nfs/dbraw/zinc/70/90/01/1017709001.db2.gz ZMWGJFBCUJZLLC-NXEZZACHSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC001600639999 1017709339 /nfs/dbraw/zinc/70/93/39/1017709339.db2.gz SZTWXZUBCPAFLM-JTQLQIEISA-N -1 0 324.333 -0.120 20 0 DBADRM Cc1csc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)n1 ZINC001600659986 1017709606 /nfs/dbraw/zinc/70/96/06/1017709606.db2.gz JGJYTJBSNHINOA-SFYZADRCSA-N -1 0 313.335 -0.316 20 0 DBADRM Cc1conc1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600643055 1017709718 /nfs/dbraw/zinc/70/97/18/1017709718.db2.gz AZEMTTDKBPNAQT-VHSXEESVSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1conc1C(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1 ZINC001600644174 1017709754 /nfs/dbraw/zinc/70/97/54/1017709754.db2.gz SJRUVAUTYIMGHG-MRVPVSSYSA-N -1 0 321.293 -0.904 20 0 DBADRM Cc1conc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C[C@H]21 ZINC001600644807 1017709978 /nfs/dbraw/zinc/70/99/78/1017709978.db2.gz BYYZCOLGVWJOJE-OFKSJOQMSA-N -1 0 319.317 -0.110 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600667671 1017711574 /nfs/dbraw/zinc/71/15/74/1017711574.db2.gz HMKZRDGUDPIDDW-RYUDHWBXSA-N -1 0 320.349 -0.383 20 0 DBADRM Cc1csc(NC(=O)C(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001600661629 1017711795 /nfs/dbraw/zinc/71/17/95/1017711795.db2.gz KFXVQKZZSIQAKN-UHFFFAOYSA-N -1 0 324.322 -0.504 20 0 DBADRM Cc1csc(NC(=O)C(=O)N2CC(=O)N(C)C2)c1C(=O)[O-] ZINC001600661110 1017711810 /nfs/dbraw/zinc/71/18/10/1017711810.db2.gz WRMCTNLAQNCZLK-UHFFFAOYSA-N -1 0 311.319 -0.049 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600668166 1017712430 /nfs/dbraw/zinc/71/24/30/1017712430.db2.gz QDKLFVKALQFIRX-NWDGAFQWSA-N -1 0 320.349 -0.383 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H]2C[C@@H](O)C23CCC3)c1C(=O)[O-] ZINC001600673823 1017712862 /nfs/dbraw/zinc/71/28/62/1017712862.db2.gz VQVXWCVJBKFBHA-JGVFFNPUSA-N -1 0 315.351 -0.002 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCC[C@H](C)[S@](C)=O)c1C(=O)[O-] ZINC001600673752 1017713798 /nfs/dbraw/zinc/71/37/98/1017713798.db2.gz MTXJDAXIUIBSRI-PVDFSEMESA-N -1 0 323.396 -0.148 20 0 DBADRM Cc1nc(N2CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC2)n[nH]1 ZINC001600671817 1017714965 /nfs/dbraw/zinc/71/49/65/1017714965.db2.gz BPSRCEVIIVEJIZ-QMMMGPOBSA-N -1 0 317.371 -0.714 20 0 DBADRM Cc1nnc(CN2CCCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)[nH]1 ZINC001600671544 1017715081 /nfs/dbraw/zinc/71/50/81/1017715081.db2.gz MSGAHGAQFKWQGN-QWRGUYRKSA-N -1 0 307.354 -0.132 20 0 DBADRM Cc1nc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])nn1-c1nc[nH]n1 ZINC001600682249 1017715958 /nfs/dbraw/zinc/71/59/58/1017715958.db2.gz HFRUHHVZNXCIIG-LBPRGKRZSA-N -1 0 305.298 -0.227 20 0 DBADRM Cc1nn[nH]c1C(=O)NCCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001600675943 1017716253 /nfs/dbraw/zinc/71/62/53/1017716253.db2.gz XZTXUPHGTNQREI-UHFFFAOYSA-N -1 0 319.325 -0.142 20 0 DBADRM Cc1nc(C)c(C(=O)N(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])[nH]1 ZINC001600683888 1017716653 /nfs/dbraw/zinc/71/66/53/1017716653.db2.gz ZTSJNWNGPISSMZ-ZJUUUORDSA-N -1 0 308.338 -0.065 20 0 DBADRM Cc1nn[nH]c1C(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600675772 1017716806 /nfs/dbraw/zinc/71/68/06/1017716806.db2.gz PPLWTSZDGDWZFS-RKDXNWHRSA-N -1 0 309.326 -0.588 20 0 DBADRM Cc1n[nH]nc1C(=O)N(C)CCN(C)c1ccnc(C(=O)[O-])n1 ZINC001600675666 1017716999 /nfs/dbraw/zinc/71/69/99/1017716999.db2.gz LTZADKDWKTUQIC-UHFFFAOYSA-N -1 0 319.325 -0.190 20 0 DBADRM Cc1nc(C)c(C(=O)N(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])[nH]1 ZINC001600683887 1017717129 /nfs/dbraw/zinc/71/71/29/1017717129.db2.gz ZTSJNWNGPISSMZ-VHSXEESVSA-N -1 0 308.338 -0.065 20 0 DBADRM Cc1nc(-c2ccn(C)n2)sc1CC(=O)N[C@@H](CO)C(=O)[O-] ZINC001600680384 1017717620 /nfs/dbraw/zinc/71/76/20/1017717620.db2.gz OVCFRPBEYFYXBW-VIFPVBQESA-N -1 0 324.362 -0.044 20 0 DBADRM Cc1nc(C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)c[nH]1 ZINC001600682430 1017717767 /nfs/dbraw/zinc/71/77/67/1017717767.db2.gz BPEPXDYVCZAIOP-UHFFFAOYSA-N -1 0 304.310 -0.188 20 0 DBADRM Cc1nnc(CN2CCN(Cc3cnc(C(=O)[O-])cn3)CC2)[nH]1 ZINC001600701092 1017718261 /nfs/dbraw/zinc/71/82/61/1017718261.db2.gz JVPFIAORMFXSQA-UHFFFAOYSA-N -1 0 317.353 -0.081 20 0 DBADRM Cc1nc(CN2CC(CCO)(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)co1 ZINC001600700339 1017718834 /nfs/dbraw/zinc/71/88/34/1017718834.db2.gz KLTAKZMTYOULQW-RYUDHWBXSA-N -1 0 323.349 -0.243 20 0 DBADRM Cc1nc(NC(=O)CN2CC(=O)N(C)C2=O)sc1C(=O)[O-] ZINC001600713623 1017719261 /nfs/dbraw/zinc/71/92/61/1017719261.db2.gz VFOLAGCTMVJEDX-UHFFFAOYSA-N -1 0 312.307 -0.018 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]3C)nn2)no1 ZINC001600706671 1017719541 /nfs/dbraw/zinc/71/95/41/1017719541.db2.gz MSDZVKXHDOGMBX-APPZFPTMSA-N -1 0 320.309 -0.047 20 0 DBADRM Cc1ncc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])n1C ZINC001600733436 1017720215 /nfs/dbraw/zinc/72/02/15/1017720215.db2.gz OQXIIOXKZCHQFG-UHFFFAOYSA-N -1 0 310.354 -0.412 20 0 DBADRM Cc1nc2n(n1)CCN([C@@H]1CCCN(CCC(=O)[O-])C1=O)C2 ZINC001600732088 1017720821 /nfs/dbraw/zinc/72/08/21/1017720821.db2.gz NDPYAZCEDQOGTH-LLVKDONJSA-N -1 0 307.354 -0.132 20 0 DBADRM Cc1nn(C)c2nc(C)c(CC(=O)N[C@H](CO)C(=O)[O-])c(C)c12 ZINC001600723197 1017720937 /nfs/dbraw/zinc/72/09/37/1017720937.db2.gz KSZADNHRUPGONI-LLVKDONJSA-N -1 0 320.349 -0.002 20 0 DBADRM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NC[C@H](F)C(=O)[O-] ZINC001600720406 1017721122 /nfs/dbraw/zinc/72/11/22/1017721122.db2.gz OPYVQVLDHOGPGY-VIFPVBQESA-N -1 0 324.312 -0.040 20 0 DBADRM Cc1ncc(C(=O)N(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1C ZINC001600733070 1017721197 /nfs/dbraw/zinc/72/11/97/1017721197.db2.gz HUDJMMHSBYSUSI-UWVGGRQHSA-N -1 0 308.338 -0.363 20 0 DBADRM Cc1nc2c(nccc2C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[nH]1 ZINC001600720537 1017721560 /nfs/dbraw/zinc/72/15/60/1017721560.db2.gz IBVNMHZAKMKHIP-BQBZGAKWSA-N -1 0 319.321 -0.026 20 0 DBADRM Cc1ncc(S(=O)(=O)NCc2cn(C)nn2)cc1C(=O)[O-] ZINC001600747802 1017721974 /nfs/dbraw/zinc/72/19/74/1017721974.db2.gz QHXZOEMZZWPSFM-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)n1C ZINC001600745008 1017722585 /nfs/dbraw/zinc/72/25/85/1017722585.db2.gz HGAMLPZLGMUOPN-UHFFFAOYSA-N -1 0 316.383 -0.490 20 0 DBADRM Cc1ncc(S(=O)(=O)NCCn2ccnn2)cc1C(=O)[O-] ZINC001600748012 1017722875 /nfs/dbraw/zinc/72/28/75/1017722875.db2.gz UALZOYIWWZIKFC-UHFFFAOYSA-N -1 0 311.323 -0.342 20 0 DBADRM Cc1ncc(S(=O)(=O)NC2COCCOC2)cc1C(=O)[O-] ZINC001600746472 1017723164 /nfs/dbraw/zinc/72/31/64/1017723164.db2.gz ZFHCUSQDGRVESC-UHFFFAOYSA-N -1 0 316.335 -0.218 20 0 DBADRM Cc1ncc(S(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)n1C ZINC001600746290 1017723214 /nfs/dbraw/zinc/72/32/14/1017723214.db2.gz RXWPDBOVPFPQEM-VHSXEESVSA-N -1 0 317.367 -0.256 20 0 DBADRM Cc1ncc(CN2CC(O)(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001600736401 1017723291 /nfs/dbraw/zinc/72/32/91/1017723291.db2.gz YWJMKBYQGCNXNW-NEPJUHHUSA-N -1 0 320.349 -0.831 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)s1 ZINC001600737136 1017723468 /nfs/dbraw/zinc/72/34/68/1017723468.db2.gz FDGAESIWFZIMMJ-JGVFFNPUSA-N -1 0 313.335 -0.316 20 0 DBADRM Cc1ncncc1C(=O)NCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600758210 1017724160 /nfs/dbraw/zinc/72/41/60/1017724160.db2.gz DCXKBKPSJZXXIL-VHSXEESVSA-N -1 0 306.322 -0.306 20 0 DBADRM Cc1ncn(C)c1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600758575 1017724343 /nfs/dbraw/zinc/72/43/43/1017724343.db2.gz PUZAQHZEYMNVEU-NXEZZACHSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1ncncc1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600758611 1017724692 /nfs/dbraw/zinc/72/46/92/1017724692.db2.gz RLNCFOXHUKHKKB-WDEREUQCSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1ncccc1CC(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600752882 1017725017 /nfs/dbraw/zinc/72/50/17/1017725017.db2.gz OPPRMCHXNRCQBL-STQMWFEESA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1ncc2n1C[C@@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])CC2 ZINC001600749757 1017725031 /nfs/dbraw/zinc/72/50/31/1017725031.db2.gz YIFVVASMVMXDCS-JQWIXIFHSA-N -1 0 318.337 -0.385 20 0 DBADRM Cc1ncc2n1C[C@H](C(=O)N[C@H](Cn1cncn1)C(=O)[O-])CC2 ZINC001600749760 1017725480 /nfs/dbraw/zinc/72/54/80/1017725480.db2.gz YIFVVASMVMXDCS-ZYHUDNBSSA-N -1 0 318.337 -0.385 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001600756661 1017725556 /nfs/dbraw/zinc/72/55/56/1017725556.db2.gz JVMMAARDDFPIQV-PHIMTYICSA-N -1 0 308.338 -0.371 20 0 DBADRM Cc1ncccc1CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600752879 1017725659 /nfs/dbraw/zinc/72/56/59/1017725659.db2.gz OPPRMCHXNRCQBL-CHWSQXEVSA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1ncncc1C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600758610 1017725774 /nfs/dbraw/zinc/72/57/74/1017725774.db2.gz RLNCFOXHUKHKKB-QWRGUYRKSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001600768295 1017726084 /nfs/dbraw/zinc/72/60/84/1017726084.db2.gz OQOODZBHNRMNAU-ONGXEEELSA-N -1 0 309.322 -0.344 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)Nc2ccnc(C(=O)[O-])n2)c1C ZINC001600767317 1017726675 /nfs/dbraw/zinc/72/66/75/1017726675.db2.gz UYGLSAYWKBSSLP-UHFFFAOYSA-N -1 0 303.278 -0.440 20 0 DBADRM Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@H](O)C(=O)[O-])[nH]n1 ZINC001600767957 1017727236 /nfs/dbraw/zinc/72/72/36/1017727236.db2.gz ACXBSJSNCVNXPH-JTQLQIEISA-N -1 0 307.310 -0.398 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001600771223 1017727378 /nfs/dbraw/zinc/72/73/78/1017727378.db2.gz XPADWQSPYTVUJU-MNOVXSKESA-N -1 0 311.338 -0.290 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](O)CNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001600768903 1017727532 /nfs/dbraw/zinc/72/75/32/1017727532.db2.gz DVJZVSJYVYGYAL-LLVKDONJSA-N -1 0 321.337 -0.219 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001600770859 1017727674 /nfs/dbraw/zinc/72/76/74/1017727674.db2.gz OWYPSWVANATNHY-NSHDSACASA-N -1 0 321.337 -0.049 20 0 DBADRM Cc1nn(CC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)c(=O)o1 ZINC001600778907 1017728121 /nfs/dbraw/zinc/72/81/21/1017728121.db2.gz PFYLKPFNXKBOMU-UHFFFAOYSA-N -1 0 307.266 -0.808 20 0 DBADRM Cc1nn(C)c(F)c1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600772676 1017728845 /nfs/dbraw/zinc/72/88/45/1017728845.db2.gz NYMOQLZXPJRIFY-DTWKUNHWSA-N -1 0 324.312 -0.471 20 0 DBADRM Cc1nn(C)c(NC(=O)[C@@]2(F)CCS(=O)(=O)C2)c1C(=O)[O-] ZINC001600773309 1017729003 /nfs/dbraw/zinc/72/90/03/1017729003.db2.gz OVWHUXYBPUOBIN-LLVKDONJSA-N -1 0 319.314 -0.108 20 0 DBADRM Cc1nn(C)cc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600776471 1017729040 /nfs/dbraw/zinc/72/90/40/1017729040.db2.gz PXTMENSYZCHILH-MNOVXSKESA-N -1 0 320.349 -0.266 20 0 DBADRM Cc1nn(CC(=O)N[C@H](C(=O)[O-])c2cccs2)c(=O)n1C ZINC001600780013 1017729999 /nfs/dbraw/zinc/72/99/99/1017729999.db2.gz BNPOVKZHYOXFDL-JTQLQIEISA-N -1 0 310.335 -0.106 20 0 DBADRM Cc1nn(CC(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])c(=O)o1 ZINC001600780769 1017730873 /nfs/dbraw/zinc/73/08/73/1017730873.db2.gz NQDUROGBSRXROR-LLVKDONJSA-N -1 0 321.289 -0.207 20 0 DBADRM Cc1nn2cccnc2c1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001600791061 1017730937 /nfs/dbraw/zinc/73/09/37/1017730937.db2.gz VCFBXMKETZMQFX-UHFFFAOYSA-N -1 0 315.293 -0.243 20 0 DBADRM Cc1nn(CC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c(=O)n1C ZINC001600779164 1017731001 /nfs/dbraw/zinc/73/10/01/1017731001.db2.gz VHJHIYOVAWCSLJ-IAQYHMDHSA-N -1 0 322.365 -0.006 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@H]1NC(=O)O[C@H]1C ZINC001600780857 1017731293 /nfs/dbraw/zinc/73/12/93/1017731293.db2.gz JFDQHRBEZNMPOM-KWQFWETISA-N -1 0 310.310 -0.302 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)C1(NC(N)=O)CC1 ZINC001600779623 1017731336 /nfs/dbraw/zinc/73/13/36/1017731336.db2.gz JVRWPODAEFBVCU-UHFFFAOYSA-N -1 0 309.326 -0.598 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001600780191 1017731417 /nfs/dbraw/zinc/73/14/17/1017731417.db2.gz WWGKVMASADNQAW-UHFFFAOYSA-N -1 0 319.321 -0.058 20 0 DBADRM Cc1nnc(CC(=O)NC/C=C\CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])o1 ZINC001600794369 1017732085 /nfs/dbraw/zinc/73/20/85/1017732085.db2.gz MNBYWMPMULHEOA-LTFJCZIQSA-N -1 0 322.321 -0.570 20 0 DBADRM Cc1nnc(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)s1 ZINC001600795358 1017732326 /nfs/dbraw/zinc/73/23/26/1017732326.db2.gz QSLRHZCQMDGMTH-UHFFFAOYSA-N -1 0 303.325 -0.254 20 0 DBADRM Cc1nnc(N2CCC(C(=O)[O-])CC2)n1Cc1nnn(C)n1 ZINC001600797107 1017732411 /nfs/dbraw/zinc/73/24/11/1017732411.db2.gz HVAAFBBCZGJCPK-UHFFFAOYSA-N -1 0 306.330 -0.541 20 0 DBADRM Cc1nnc(CNCCN(CCO)C(=O)[C@@H]2C[C@H]2C(=O)[O-])o1 ZINC001600795395 1017732550 /nfs/dbraw/zinc/73/25/50/1017732550.db2.gz UCJQLECTZDYOIM-NXEZZACHSA-N -1 0 312.326 -0.991 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1C ZINC001600795655 1017732640 /nfs/dbraw/zinc/73/26/40/1017732640.db2.gz CSNNUHRPJFUJLE-WCBMZHEXSA-N -1 0 323.353 -0.691 20 0 DBADRM Cc1nnc(CC(=O)NCCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])o1 ZINC001600794490 1017733072 /nfs/dbraw/zinc/73/30/72/1017733072.db2.gz OZJHFWMVXJLPAJ-VHSXEESVSA-N -1 0 324.337 -0.394 20 0 DBADRM Cc1nnsc1C(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001600802977 1017733662 /nfs/dbraw/zinc/73/36/62/1017733662.db2.gz UDMDBNKBQBVFBU-ZCFIWIBFSA-N -1 0 322.350 -0.013 20 0 DBADRM Cc1nnc2ccc(C(=O)NCCn3cc(C(=O)[O-])nn3)cn12 ZINC001600801074 1017733719 /nfs/dbraw/zinc/73/37/19/1017733719.db2.gz IZDVLYVXSGMPPO-UHFFFAOYSA-N -1 0 315.293 -0.243 20 0 DBADRM Cc1nnccc1NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001600802038 1017733867 /nfs/dbraw/zinc/73/38/67/1017733867.db2.gz HZLYQCLKSVRQCA-RKDXNWHRSA-N -1 0 308.294 -0.982 20 0 DBADRM Cc1noc(CCCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC001600812133 1017734139 /nfs/dbraw/zinc/73/41/39/1017734139.db2.gz XGBKJTVSSCSGKO-VIFPVBQESA-N -1 0 310.310 -0.498 20 0 DBADRM Cc1noc(CCCC(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001600812095 1017734156 /nfs/dbraw/zinc/73/41/56/1017734156.db2.gz UMFWVUZTFNCMEM-UHFFFAOYSA-N -1 0 308.298 -0.193 20 0 DBADRM Cc1noc(C)c1CC(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600808727 1017734355 /nfs/dbraw/zinc/73/43/55/1017734355.db2.gz YCIDZOUUUMJXIE-RYUDHWBXSA-N -1 0 321.333 -0.118 20 0 DBADRM Cc1noc2ncn(CC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)c12 ZINC001600816057 1017735099 /nfs/dbraw/zinc/73/50/99/1017735099.db2.gz OHSYEHOLBZNUQU-JTQLQIEISA-N -1 0 308.294 -0.082 20 0 DBADRM Cc1noc([C@H]2OCC[C@H]2NS(=O)(=O)C[C@H](C)C(=O)[O-])n1 ZINC001600817391 1017735120 /nfs/dbraw/zinc/73/51/20/1017735120.db2.gz VAGOQJWXHCCHCU-ZQARSLAVSA-N -1 0 319.339 -0.152 20 0 DBADRM Cc1noc(CN2C[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(=O)[O-])C[C@@H]3C2)n1 ZINC001600813333 1017735141 /nfs/dbraw/zinc/73/51/41/1017735141.db2.gz XVHZHMVYSVMHHX-WHOHXGKFSA-N -1 0 320.349 -0.011 20 0 DBADRM Cc1nonc1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600817600 1017735267 /nfs/dbraw/zinc/73/52/67/1017735267.db2.gz JALAINBTIZWJJX-QCLAVDOMSA-N -1 0 322.321 -0.277 20 0 DBADRM Cc1nocc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600816718 1017735904 /nfs/dbraw/zinc/73/59/04/1017735904.db2.gz LVKRGCIRJLWROG-BDAKNGLRSA-N -1 0 323.305 -0.993 20 0 DBADRM Cc1nocc1CN1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001600816989 1017735942 /nfs/dbraw/zinc/73/59/42/1017735942.db2.gz SDXSVXKFYWNQPW-UWVGGRQHSA-N -1 0 308.294 -0.438 20 0 DBADRM Cc1nonc1CC(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600817322 1017735961 /nfs/dbraw/zinc/73/59/61/1017735961.db2.gz AIODIBVFAASFEW-ZJUUUORDSA-N -1 0 322.321 -0.784 20 0 DBADRM Cc1oc(S(=O)(=O)N2C[C@H](CO)[C@H](O)C2)cc1C(=O)[O-] ZINC001600857415 1017736704 /nfs/dbraw/zinc/73/67/04/1017736704.db2.gz KOFCYZXWELXZEA-VXNVDRBHSA-N -1 0 305.308 -0.740 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C)[C@H](CO)C1 ZINC001600833974 1017736831 /nfs/dbraw/zinc/73/68/31/1017736831.db2.gz UXXXUWUNLFHZPS-VIFPVBQESA-N -1 0 318.351 -0.417 20 0 DBADRM Cc1oc(S(=O)(=O)N2CC[C@H](NC(N)=O)C2)cc1C(=O)[O-] ZINC001600856960 1017737004 /nfs/dbraw/zinc/73/70/04/1017737004.db2.gz GFXHWWCFMYJOPN-ZETCQYMHSA-N -1 0 317.323 -0.282 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)NCCn1ccc(=O)[nH]c1=O ZINC001600826417 1017737994 /nfs/dbraw/zinc/73/79/94/1017737994.db2.gz QPRHGEFEIASSLB-UHFFFAOYSA-N -1 0 307.262 -0.021 20 0 DBADRM Cc1oc(S(=O)(=O)N2CC[C@@H](O)[C@H](CO)C2)cc1C(=O)[O-] ZINC001600858091 1017738341 /nfs/dbraw/zinc/73/83/41/1017738341.db2.gz UTZCYLGZZKXRRF-WCBMZHEXSA-N -1 0 319.335 -0.350 20 0 DBADRM Cc1sc(=O)n(CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1C ZINC001600865123 1017738894 /nfs/dbraw/zinc/73/88/94/1017738894.db2.gz OHZTUUDKHQCPHA-XCBNKYQSSA-N -1 0 302.352 -0.133 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC(C)(C(=O)[O-])C1 ZINC001600857874 1017739154 /nfs/dbraw/zinc/73/91/54/1017739154.db2.gz MKGZHMVETURRTI-UHFFFAOYSA-N -1 0 302.308 -0.218 20 0 DBADRM Cc1sc(=O)n(CC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1C ZINC001600867200 1017739675 /nfs/dbraw/zinc/73/96/75/1017739675.db2.gz ZYOUXAFTAQHLPD-RKDXNWHRSA-N -1 0 300.336 -0.427 20 0 DBADRM Cc1sc(=O)n(CC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1C ZINC001600866877 1017739705 /nfs/dbraw/zinc/73/97/05/1017739705.db2.gz VALNFSUEOCUEAW-WCBMZHEXSA-N -1 0 300.336 -0.115 20 0 DBADRM Cc1occc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600860437 1017739799 /nfs/dbraw/zinc/73/97/99/1017739799.db2.gz IBPCTFSAUTULEK-GHMZBOCLSA-N -1 0 322.317 -0.388 20 0 DBADRM Cc1sc(=O)n(CCC(=O)NCC(=O)NCC(=O)[O-])c1C ZINC001600864914 1017739879 /nfs/dbraw/zinc/73/98/79/1017739879.db2.gz CWOSZSVUZMUPSE-UHFFFAOYSA-N -1 0 315.351 -0.766 20 0 DBADRM Cn1c(=O)ccn(CC(=O)O[C@@H](C(=O)[O-])c2ccccc2)c1=O ZINC001600896452 1017740382 /nfs/dbraw/zinc/74/03/82/1017740382.db2.gz LLLACHXYTMYMGB-CYBMUJFWSA-N -1 0 318.285 -0.084 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC001600901997 1017741251 /nfs/dbraw/zinc/74/12/51/1017741251.db2.gz CWVLBVXQSOXBOF-MRVPVSSYSA-N -1 0 300.336 -0.018 20 0 DBADRM Cn1c2ncn(Cc3ccc(C(=O)[O-])cn3)c2c(=O)n(C)c1=O ZINC001600894928 1017741354 /nfs/dbraw/zinc/74/13/54/1017741354.db2.gz MAIDVLRZYCCQCP-UHFFFAOYSA-N -1 0 315.289 -0.425 20 0 DBADRM Cn1c(=O)cccc1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600899619 1017741427 /nfs/dbraw/zinc/74/14/27/1017741427.db2.gz PERWCPQLZJXCCC-ZJUUUORDSA-N -1 0 319.317 -0.953 20 0 DBADRM Cc1cncn1CC(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001498337492 1017742352 /nfs/dbraw/zinc/74/23/52/1017742352.db2.gz NFBWHEDBAZMINL-SECBINFHSA-N -1 0 307.358 -0.348 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001600915137 1017742481 /nfs/dbraw/zinc/74/24/81/1017742481.db2.gz ZVQWKKNZPUYRRQ-BGZDPUMWSA-N -1 0 309.326 -0.181 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001600914484 1017743155 /nfs/dbraw/zinc/74/31/55/1017743155.db2.gz HDGOMOSSWXPDSW-UHFFFAOYSA-N -1 0 321.297 -0.317 20 0 DBADRM Cc1cncn1CC(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001498337493 1017743315 /nfs/dbraw/zinc/74/33/15/1017743315.db2.gz NFBWHEDBAZMINL-VIFPVBQESA-N -1 0 307.358 -0.348 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)OCCCNS(C)(=O)=O ZINC001600907478 1017743530 /nfs/dbraw/zinc/74/35/30/1017743530.db2.gz UGSNICGUYADZDC-UHFFFAOYSA-N -1 0 304.324 -0.181 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001600914889 1017743932 /nfs/dbraw/zinc/74/39/32/1017743932.db2.gz QAQZHVXXEOUPNO-UHFFFAOYSA-N -1 0 323.313 -0.141 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001600921572 1017744965 /nfs/dbraw/zinc/74/49/65/1017744965.db2.gz FNDSPMHZRMIHLU-POYBYMJQSA-N -1 0 323.758 -0.328 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001600920372 1017745498 /nfs/dbraw/zinc/74/54/98/1017745498.db2.gz UHBLQSAEHFRXCC-HTRCEHHLSA-N -1 0 323.758 -0.159 20 0 DBADRM Cn1cc(C(=O)CCC(=O)NC2(C(=O)[O-])CC(CO)C2)cn1 ZINC001600927694 1017746083 /nfs/dbraw/zinc/74/60/83/1017746083.db2.gz ALRKQDVRWWLUHO-UHFFFAOYSA-N -1 0 309.322 -0.275 20 0 DBADRM Cn1c(N2CC[C@@](F)(C(=O)[O-])C2)nnc1[C@@]1(O)CCOC1 ZINC001600919789 1017746163 /nfs/dbraw/zinc/74/61/63/1017746163.db2.gz GOKWAYWVWCPIRQ-NWDGAFQWSA-N -1 0 300.290 -0.574 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001600930313 1017747240 /nfs/dbraw/zinc/74/72/40/1017747240.db2.gz SRQBGKMGBLTILH-GWOFURMSSA-N -1 0 306.322 -0.482 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)N[C@H](C(=O)[O-])C1CC1)c2=O ZINC001600929058 1017748029 /nfs/dbraw/zinc/74/80/29/1017748029.db2.gz OUSYNRBCLFODBQ-JTQLQIEISA-N -1 0 304.306 -0.135 20 0 DBADRM Cn1cc(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)c(=O)[nH]c1=O ZINC001600929399 1017748284 /nfs/dbraw/zinc/74/82/84/1017748284.db2.gz NTRODGWPUBSUDB-UHFFFAOYSA-N -1 0 319.277 -0.853 20 0 DBADRM O=C(CCCC1CC1)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001498356963 1017749476 /nfs/dbraw/zinc/74/94/76/1017749476.db2.gz CYQYHOVKSLFMKN-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001600940365 1017749462 /nfs/dbraw/zinc/74/94/62/1017749462.db2.gz RDTNEWVRIRUJPN-OWXODZSWSA-N -1 0 318.376 -0.383 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)c3cnc(C(=O)[O-])cn3)CCN2)cn1 ZINC001600944924 1017749582 /nfs/dbraw/zinc/74/95/82/1017749582.db2.gz VOTLSEUGMKEWGA-LBPRGKRZSA-N -1 0 316.321 -0.305 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)cn1 ZINC001600946469 1017750427 /nfs/dbraw/zinc/75/04/27/1017750427.db2.gz GIQJIWKJODJEDE-SNVBAGLBSA-N -1 0 321.337 -0.022 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@](C)(C(N)=O)C1 ZINC001600941602 1017750471 /nfs/dbraw/zinc/75/04/71/1017750471.db2.gz VJEYHAZTEHJGKY-LBPRGKRZSA-N -1 0 315.351 -0.391 20 0 DBADRM Cn1cc(C(N)=O)c(NC(=O)Cn2cccc(C(=O)[O-])c2=O)n1 ZINC001600940838 1017750542 /nfs/dbraw/zinc/75/05/42/1017750542.db2.gz ZTCPWDDXJXAWAJ-UHFFFAOYSA-N -1 0 319.277 -0.982 20 0 DBADRM Cn1cc(/C=C\C(=O)OCC2(CC(=O)[O-])CC2)c(=O)n(C)c1=O ZINC001600946269 1017751206 /nfs/dbraw/zinc/75/12/06/1017751206.db2.gz PSUOCNAEMXPRDO-ARJAWSKDSA-N -1 0 322.317 -0.105 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)cn1 ZINC001600946922 1017752246 /nfs/dbraw/zinc/75/22/46/1017752246.db2.gz JBFLUSFOTSTYJV-SMDDNHRTSA-N -1 0 311.338 -0.536 20 0 DBADRM Cn1cc(CN2CCC3(CN(C(=O)[C@H]4C[C@H]4C(=O)[O-])C3)C2)nn1 ZINC001600951267 1017752492 /nfs/dbraw/zinc/75/24/92/1017752492.db2.gz GWWYLFNBEHECLG-NWDGAFQWSA-N -1 0 319.365 -0.430 20 0 DBADRM Cn1cc(CN2CCC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001600951683 1017752582 /nfs/dbraw/zinc/75/25/82/1017752582.db2.gz JJJQATAVOFFKTM-NWDGAFQWSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1cc(C[C@@H](CO)CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cn1 ZINC001600949151 1017753568 /nfs/dbraw/zinc/75/35/68/1017753568.db2.gz YQJWZYMCLKDQGZ-UTUOFQBUSA-N -1 0 311.338 -0.681 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cn1 ZINC001600949328 1017753583 /nfs/dbraw/zinc/75/35/83/1017753583.db2.gz ZUVOXAQUDANKHZ-NJMOYASZSA-N -1 0 307.350 -0.061 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC(CO)CC2)cc1C(=O)[O-] ZINC001600958635 1017753921 /nfs/dbraw/zinc/75/39/21/1017753921.db2.gz IDYBHGPEYFUDRU-UHFFFAOYSA-N -1 0 309.322 -0.107 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CC(=O)N(C3CC3)C2)cc1C(=O)[O-] ZINC001600958558 1017754200 /nfs/dbraw/zinc/75/42/00/1017754200.db2.gz GNIIMXIQXPTPGU-UHFFFAOYSA-N -1 0 320.305 -0.548 20 0 DBADRM Cn1cc(NC(=O)C(=O)N(CCO)CC(F)F)cc1C(=O)[O-] ZINC001600958875 1017754334 /nfs/dbraw/zinc/75/43/34/1017754334.db2.gz LKMGHNPUQRNQRQ-UHFFFAOYSA-N -1 0 319.264 -0.252 20 0 DBADRM Cn1cc(N2CCC[C@H](NC(=O)N3CC(O)(C(=O)[O-])C3)C2)cn1 ZINC001600958101 1017754537 /nfs/dbraw/zinc/75/45/37/1017754537.db2.gz HOYFFCJBNFSADL-JTQLQIEISA-N -1 0 323.353 -0.770 20 0 DBADRM Cn1cc(CNC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)nn1 ZINC001600953687 1017755692 /nfs/dbraw/zinc/75/56/92/1017755692.db2.gz MKXQQJKAKVZGHM-UHFFFAOYSA-N -1 0 309.307 -0.170 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCC2(CCO)CC2)cc1C(=O)[O-] ZINC001600960273 1017756324 /nfs/dbraw/zinc/75/63/24/1017756324.db2.gz YYYTVERQAADJTL-UHFFFAOYSA-N -1 0 309.322 -0.059 20 0 DBADRM Cn1cc(NC(=O)N2CCC(O)(C(N)=O)CC2)cc1C(=O)[O-] ZINC001600963014 1017756361 /nfs/dbraw/zinc/75/63/61/1017756361.db2.gz SMPDYMCYLNDSFM-UHFFFAOYSA-N -1 0 310.310 -0.433 20 0 DBADRM Cn1cc(NC(=O)NCC(=O)N2CCOCC2)cc1C(=O)[O-] ZINC001600965169 1017756543 /nfs/dbraw/zinc/75/65/43/1017756543.db2.gz TXNZOXWUQXGGLM-UHFFFAOYSA-N -1 0 310.310 -0.296 20 0 DBADRM Cn1cc(NC(=O)c2ccnc(C(=O)[O-])c2)c(=O)n(C)c1=O ZINC001600965925 1017757241 /nfs/dbraw/zinc/75/72/41/1017757241.db2.gz ZLKMAEDNZTVEDQ-UHFFFAOYSA-N -1 0 304.262 -0.571 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N[C@H]3CC[C@H]3C(=O)[O-])CC2=O)cn1 ZINC001600962316 1017757518 /nfs/dbraw/zinc/75/75/18/1017757518.db2.gz UOAVUQUPPFZVPR-GDPRMGEGSA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N3CC(C)(C(=O)[O-])C3)CC2=O)cn1 ZINC001600961820 1017758550 /nfs/dbraw/zinc/75/85/50/1017758550.db2.gz MPMRISXDLBZFFU-VIFPVBQESA-N -1 0 306.322 -0.294 20 0 DBADRM Cn1cc(NC(=O)C(=O)NN2CCCNC2=O)cc1C(=O)[O-] ZINC001600960037 1017758574 /nfs/dbraw/zinc/75/85/74/1017758574.db2.gz HDAQTJXEAADKGW-UHFFFAOYSA-N -1 0 309.282 -0.892 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@@H](NC(N)=O)C2)cc1C(=O)[O-] ZINC001600967229 1017758623 /nfs/dbraw/zinc/75/86/23/1017758623.db2.gz YJHXIQRDEDEYBJ-SSDOTTSWSA-N -1 0 316.339 -0.845 20 0 DBADRM Cn1ccc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC001600970935 1017759048 /nfs/dbraw/zinc/75/90/48/1017759048.db2.gz IHPUJIIIXQFVTC-VXGBXAGGSA-N -1 0 323.349 -0.704 20 0 DBADRM Cn1ccc(=O)c(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c1 ZINC001600971695 1017760667 /nfs/dbraw/zinc/76/06/67/1017760667.db2.gz BAHKCGUQWMWSPM-UHFFFAOYSA-N -1 0 323.349 -0.756 20 0 DBADRM Cn1ccc(=O)c(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])c1 ZINC001600972129 1017760837 /nfs/dbraw/zinc/76/08/37/1017760837.db2.gz NDHFGEWYUIGFAY-SNVBAGLBSA-N -1 0 310.306 -0.279 20 0 DBADRM CN(C(=O)c1cc(S(N)(=O)=O)cn1C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001600970124 1017760956 /nfs/dbraw/zinc/76/09/56/1017760956.db2.gz XKVUACPRJYODDW-OCAPTIKFSA-N -1 0 315.351 -0.392 20 0 DBADRM Cn1ccc(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001600971265 1017761381 /nfs/dbraw/zinc/76/13/81/1017761381.db2.gz REGDPSJQTIRRLD-GHMZBOCLSA-N -1 0 320.349 -0.185 20 0 DBADRM Cn1ccc(CNC(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1 ZINC001600976053 1017763870 /nfs/dbraw/zinc/76/38/70/1017763870.db2.gz MCMZVPXYXLDPGX-NWDGAFQWSA-N -1 0 320.349 -0.395 20 0 DBADRM Cn1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1=O ZINC001600974817 1017764689 /nfs/dbraw/zinc/76/46/89/1017764689.db2.gz GRTXYUCJDSRTGH-SNVBAGLBSA-N -1 0 322.321 -0.418 20 0 DBADRM Cn1ccc([C@@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C(=O)[O-])n1 ZINC001600973598 1017765114 /nfs/dbraw/zinc/76/51/14/1017765114.db2.gz TXULSPINUNRAIX-SECBINFHSA-N -1 0 316.277 -0.047 20 0 DBADRM Cn1ccc(CC(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001600974089 1017765567 /nfs/dbraw/zinc/76/55/67/1017765567.db2.gz PDHKXVXNFVUXQJ-UHFFFAOYSA-N -1 0 309.322 -0.171 20 0 DBADRM Cn1ccnc1COCC(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001600987072 1017766785 /nfs/dbraw/zinc/76/67/85/1017766785.db2.gz LQQGRJNUXZRNDG-MNOVXSKESA-N -1 0 311.338 -0.210 20 0 DBADRM Cn1ccnc1C1(O)CN(C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC001600984680 1017766805 /nfs/dbraw/zinc/76/68/05/1017766805.db2.gz RSQJOKZKZAHCKF-UHFFFAOYSA-N -1 0 302.290 -0.143 20 0 DBADRM Cn1ccnc1CN1CCC(C(=O)NC[C@@H](O)CC(=O)[O-])CC1 ZINC001600985656 1017767184 /nfs/dbraw/zinc/76/71/84/1017767184.db2.gz VPPFJBUTMMESJY-LBPRGKRZSA-N -1 0 324.381 -0.416 20 0 DBADRM Cn1ccnc1CNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600987004 1017768481 /nfs/dbraw/zinc/76/84/81/1017768481.db2.gz JIPHQYOPXAXJFG-VIFPVBQESA-N -1 0 319.325 -0.134 20 0 DBADRM Cn1ccn2c(CN3CCO[C@@H](CC(=O)[O-])C3)nnc2c1=O ZINC001600981013 1017768697 /nfs/dbraw/zinc/76/86/97/1017768697.db2.gz ORZLJIZWSBILGN-VIFPVBQESA-N -1 0 307.310 -0.897 20 0 DBADRM Cn1ccnc1CCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001600986158 1017768804 /nfs/dbraw/zinc/76/88/04/1017768804.db2.gz YUDAMJXIZVLVSF-UHFFFAOYSA-N -1 0 304.310 -0.274 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001600986644 1017769334 /nfs/dbraw/zinc/76/93/34/1017769334.db2.gz CVFODRCPCLOCOZ-ZRUFSTJUSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)n1 ZINC001600989175 1017770053 /nfs/dbraw/zinc/77/00/53/1017770053.db2.gz XVUSDRWYDBAJAH-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM Cn1cnc(NC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)cc1=O ZINC001600990045 1017771209 /nfs/dbraw/zinc/77/12/09/1017771209.db2.gz ZVNAJRZTRXNKEY-UHFFFAOYSA-N -1 0 318.293 -0.167 20 0 DBADRM Cn1cnc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CCC2)c1 ZINC001600987386 1017772241 /nfs/dbraw/zinc/77/22/41/1017772241.db2.gz ODXMFAHMEUEGHZ-NXEZZACHSA-N -1 0 320.349 -0.091 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])c1 ZINC001600991040 1017772368 /nfs/dbraw/zinc/77/23/68/1017772368.db2.gz NJDAEPMCXKGOJQ-NSHDSACASA-N -1 0 313.339 -0.562 20 0 DBADRM Cn1cnc(CCCNS(=O)(=O)C2(C(=O)[O-])CCC2)n1 ZINC001600989879 1017772709 /nfs/dbraw/zinc/77/27/09/1017772709.db2.gz GSMGOTIBNNRLAG-UHFFFAOYSA-N -1 0 302.356 -0.326 20 0 DBADRM Cn1cnc(C(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])cc1=O ZINC001600987441 1017772830 /nfs/dbraw/zinc/77/28/30/1017772830.db2.gz PARLPLFWZOUYSS-MWLCHTKSSA-N -1 0 309.322 -0.220 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1 ZINC001600989164 1017772850 /nfs/dbraw/zinc/77/28/50/1017772850.db2.gz XCTHFQGPWGILAQ-VHSXEESVSA-N -1 0 321.337 -1.000 20 0 DBADRM Cn1cnn(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1=O ZINC001600995008 1017773979 /nfs/dbraw/zinc/77/39/79/1017773979.db2.gz BHVMTJAEWWIHBC-LLVKDONJSA-N -1 0 308.269 -0.337 20 0 DBADRM Cn1cnn(CC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c1=O ZINC001600995033 1017774990 /nfs/dbraw/zinc/77/49/90/1017774990.db2.gz CTLUKVYPPKDNKU-UHFFFAOYSA-N -1 0 316.277 -0.205 20 0 DBADRM Cn1cncc1CCC(=O)NCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001600992660 1017775012 /nfs/dbraw/zinc/77/50/12/1017775012.db2.gz ASRZQMDMNLIAJM-QWRGUYRKSA-N -1 0 308.338 -0.694 20 0 DBADRM Cn1cnc2ccc(C(=O)N[C@@H](CC3OCCO3)C(=O)[O-])nc21 ZINC001600993500 1017775152 /nfs/dbraw/zinc/77/51/52/1017775152.db2.gz MFPOPPYTOMSXLQ-JTQLQIEISA-N -1 0 320.305 -0.086 20 0 DBADRM Cn1cnn(CC(=O)N2CCSC[C@H]2CC(=O)[O-])c1=O ZINC001600995291 1017775171 /nfs/dbraw/zinc/77/51/71/1017775171.db2.gz IIVRMHXHSPCMTO-MRVPVSSYSA-N -1 0 300.340 -1.000 20 0 DBADRM Cn1cnn(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c1=S ZINC001600994095 1017775301 /nfs/dbraw/zinc/77/53/01/1017775301.db2.gz AMDGQWQTAXDTAR-QMMMGPOBSA-N -1 0 320.396 -0.518 20 0 DBADRM Cn1cnnc1[C@@H](CO)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001600994854 1017775451 /nfs/dbraw/zinc/77/54/51/1017775451.db2.gz ZHOZCUBMHYKURK-AZVKUDOFSA-N -1 0 306.278 -0.031 20 0 DBADRM Cn1cnnc1[C@@H](CO)NS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001600994169 1017777036 /nfs/dbraw/zinc/77/70/36/1017777036.db2.gz CBCFGCUFNYVDTE-MRVPVSSYSA-N -1 0 318.355 -0.977 20 0 DBADRM Cn1cnnc1CN1CCC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600996648 1017778630 /nfs/dbraw/zinc/77/86/30/1017778630.db2.gz RGUJSSXNNVPBLA-VXGBXAGGSA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1cnnc1COCC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001600996261 1017778804 /nfs/dbraw/zinc/77/88/04/1017778804.db2.gz VAONHIBICHTWLR-LLVKDONJSA-N -1 0 300.340 -0.592 20 0 DBADRM Cn1cnn(CCC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1=O ZINC001600996025 1017779482 /nfs/dbraw/zinc/77/94/82/1017779482.db2.gz PHNDCIDFVIPPTK-JTQLQIEISA-N -1 0 308.338 -0.315 20 0 DBADRM Cn1cnnc1CCCNS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001600995864 1017779625 /nfs/dbraw/zinc/77/96/25/1017779625.db2.gz FAEKHZQOQKEQQX-UHFFFAOYSA-N -1 0 302.356 -0.468 20 0 DBADRM Cn1cnnc1CCCNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001600996294 1017779894 /nfs/dbraw/zinc/77/98/94/1017779894.db2.gz LISICXXNUXQHGT-UHFFFAOYSA-N -1 0 316.383 -0.078 20 0 DBADRM Cn1cnnc1CNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001600996553 1017780531 /nfs/dbraw/zinc/78/05/31/1017780531.db2.gz ZVODPSQZKSFGBY-UHFFFAOYSA-N -1 0 309.307 -0.170 20 0 DBADRM Cn1cnn(CCC(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)c1=O ZINC001600996402 1017780699 /nfs/dbraw/zinc/78/06/99/1017780699.db2.gz UHHTUKFINYHHSU-LBPRGKRZSA-N -1 0 320.305 -0.380 20 0 DBADRM Cn1cnnc1CN1CCC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600996643 1017780834 /nfs/dbraw/zinc/78/08/34/1017780834.db2.gz RGUJSSXNNVPBLA-NEPJUHHUSA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC001601000959 1017781060 /nfs/dbraw/zinc/78/10/60/1017781060.db2.gz XBRCJIKVKRXAIA-DTWKUNHWSA-N -1 0 306.322 -0.141 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)N1CCN(C2CC2)C(=O)C1 ZINC001601003896 1017781094 /nfs/dbraw/zinc/78/10/94/1017781094.db2.gz AGHYFLSIAGSZFU-UHFFFAOYSA-N -1 0 307.310 -0.043 20 0 DBADRM Cn1nc(C(=O)OCC(=O)NCCC(=O)[O-])cc1OC(F)F ZINC001601005548 1017781269 /nfs/dbraw/zinc/78/12/69/1017781269.db2.gz MWJJAZFHLCWDGR-UHFFFAOYSA-N -1 0 321.236 -0.231 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001601003143 1017781308 /nfs/dbraw/zinc/78/13/08/1017781308.db2.gz VECJDCFSSZXBLW-NSHDSACASA-N -1 0 316.339 -0.471 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)Nc1ccc(=O)n(CCO)c1 ZINC001601001296 1017781410 /nfs/dbraw/zinc/78/14/10/1017781410.db2.gz AYWMVXLGHFYDDQ-UHFFFAOYSA-N -1 0 306.278 -0.475 20 0 DBADRM Cn1nc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1Cl ZINC001600999612 1017781506 /nfs/dbraw/zinc/78/15/06/1017781506.db2.gz RYGXDBLLKMKMRR-SSDOTTSWSA-N -1 0 321.742 -0.603 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2=O)C1 ZINC001601000694 1017781529 /nfs/dbraw/zinc/78/15/29/1017781529.db2.gz AMAQGBUHFFWYCH-SECBINFHSA-N -1 0 306.322 -0.045 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC001601000960 1017782453 /nfs/dbraw/zinc/78/24/53/1017782453.db2.gz XBRCJIKVKRXAIA-IUCAKERBSA-N -1 0 306.322 -0.141 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC001601000813 1017782954 /nfs/dbraw/zinc/78/29/54/1017782954.db2.gz LBWFVDOVVKTTCH-SNVBAGLBSA-N -1 0 308.338 -0.335 20 0 DBADRM Cn1nc(C2CC2)cc1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001601012550 1017783899 /nfs/dbraw/zinc/78/38/99/1017783899.db2.gz CBYPWYFOMLWACP-SNVBAGLBSA-N -1 0 320.349 -0.153 20 0 DBADRM Cn1nc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])cc1C=O ZINC001601012474 1017784134 /nfs/dbraw/zinc/78/41/34/1017784134.db2.gz MRLHWBSLOBFQMA-VIFPVBQESA-N -1 0 311.294 -0.431 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)Nc1cc(C(=O)[O-])n(C)n1)CC2 ZINC001601011603 1017784264 /nfs/dbraw/zinc/78/42/64/1017784264.db2.gz IUNAIYNMUTYBHI-SSDOTTSWSA-N -1 0 304.310 -0.010 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC1(CCO)CCCC1 ZINC001601021928 1017784706 /nfs/dbraw/zinc/78/47/06/1017784706.db2.gz NXLSRBNTGACTOD-UHFFFAOYSA-N -1 0 324.337 -0.132 20 0 DBADRM Cn1ncc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])c1C1CC1 ZINC001601021643 1017784929 /nfs/dbraw/zinc/78/49/29/1017784929.db2.gz JSVHMGOSZRXTPX-SNVBAGLBSA-N -1 0 304.310 -0.228 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CC[C@H](O)C1(C)C ZINC001601021225 1017785066 /nfs/dbraw/zinc/78/50/66/1017785066.db2.gz BUAZSHAVENPEGU-QMMMGPOBSA-N -1 0 310.310 -0.571 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC001601023544 1017785670 /nfs/dbraw/zinc/78/56/70/1017785670.db2.gz VGNAIEILTFNXOH-ZETCQYMHSA-N -1 0 309.282 -0.213 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCC[C@H]1CCCOC1 ZINC001601023200 1017785738 /nfs/dbraw/zinc/78/57/38/1017785738.db2.gz OTANUJJYTFYLRU-SECBINFHSA-N -1 0 324.337 -0.010 20 0 DBADRM Cn1ncc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CCC2)n1 ZINC001601022090 1017786058 /nfs/dbraw/zinc/78/60/58/1017786058.db2.gz XIIJAQPNILNLSJ-RKDXNWHRSA-N -1 0 321.337 -0.696 20 0 DBADRM Cn1ncc(CCCNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1 ZINC001601026267 1017786148 /nfs/dbraw/zinc/78/61/48/1017786148.db2.gz NLAJJFUWOBAKKY-LLVKDONJSA-N -1 0 323.353 -0.813 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001601023541 1017786279 /nfs/dbraw/zinc/78/62/79/1017786279.db2.gz VGNAIEILTFNXOH-SSDOTTSWSA-N -1 0 309.282 -0.213 20 0 DBADRM Cn1ncc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001601021569 1017787281 /nfs/dbraw/zinc/78/72/81/1017787281.db2.gz HDPUVJAPBLHPIS-AATLWQCWSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1O ZINC001601022545 1017787316 /nfs/dbraw/zinc/78/73/16/1017787316.db2.gz CZYZXOWNXXMMQW-RKDXNWHRSA-N -1 0 310.310 -0.524 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCC(CCO)CC1 ZINC001601021731 1017787573 /nfs/dbraw/zinc/78/75/73/1017787573.db2.gz KWHVPNDJOTUFLX-UHFFFAOYSA-N -1 0 324.337 -0.322 20 0 DBADRM Cn1nccc1C(=O)N1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601031438 1017788027 /nfs/dbraw/zinc/78/80/27/1017788027.db2.gz CQZFSEQBTIEREZ-QWRGUYRKSA-N -1 0 320.349 -0.185 20 0 DBADRM Cn1ncc2c1nc(CN[C@]1(CC(=O)[O-])CCOC1)[nH]c2=O ZINC001601030153 1017788127 /nfs/dbraw/zinc/78/81/27/1017788127.db2.gz YXFKHHWPUYYGTE-ZDUSSCGKSA-N -1 0 307.310 -0.208 20 0 DBADRM Cn1nccc1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001601031839 1017788478 /nfs/dbraw/zinc/78/84/78/1017788478.db2.gz NKXBAGUIYROQBX-JAFKPYBISA-N -1 0 306.322 -0.457 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)OC1CC(C(=O)[O-])C1)c2=O ZINC001601029967 1017789109 /nfs/dbraw/zinc/78/91/09/1017789109.db2.gz UMZFCCKVLRDYFT-UHFFFAOYSA-N -1 0 306.278 -0.464 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CC(C)(C(=O)[O-])C1)c2=O ZINC001601029954 1017791320 /nfs/dbraw/zinc/79/13/20/1017791320.db2.gz SWPQPNCMUVFSQG-UHFFFAOYSA-N -1 0 305.294 -0.937 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-] ZINC001601028259 1017791417 /nfs/dbraw/zinc/79/14/17/1017791417.db2.gz ZDGKFUIIRMLQSA-ZCFIWIBFSA-N -1 0 311.747 -0.424 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-] ZINC001601033036 1017792206 /nfs/dbraw/zinc/79/22/06/1017792206.db2.gz QUURMIOFZRXECZ-PELKAZGASA-N -1 0 318.337 -0.404 20 0 DBADRM Cn1nccc1[C@H](NC(=O)/C=C/CN1CCOCC1)C(=O)[O-] ZINC001601033186 1017792514 /nfs/dbraw/zinc/79/25/14/1017792514.db2.gz VNCZPXQHYBUIFL-IBUXWKBASA-N -1 0 308.338 -0.450 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@@H]1CCc2nncn2C1)C(=O)[O-] ZINC001601032927 1017793157 /nfs/dbraw/zinc/79/31/57/1017793157.db2.gz NJGFCOZQHZDJDE-KCJUWKMLSA-N -1 0 304.310 -0.484 20 0 DBADRM Cn1ncnc1C1(O)CN(Cc2ccccc2OCC(=O)[O-])C1 ZINC001601038775 1017793773 /nfs/dbraw/zinc/79/37/73/1017793773.db2.gz LNTNHKIMVXXCBL-UHFFFAOYSA-N -1 0 318.333 -0.018 20 0 DBADRM Cn1nccc1[C@@H]1COCCN1CN1C[C@@H](C(=O)[O-])OC1=O ZINC001601038406 1017794250 /nfs/dbraw/zinc/79/42/50/1017794250.db2.gz VAPDWBPXBACULQ-QWRGUYRKSA-N -1 0 310.310 -0.344 20 0 DBADRM CCCn1cc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001498418047 1017794802 /nfs/dbraw/zinc/79/48/02/1017794802.db2.gz KELLVZFCCNEMFW-SECBINFHSA-N -1 0 322.373 -0.238 20 0 DBADRM Cn1ncnc1CN1CCC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601038556 1017795516 /nfs/dbraw/zinc/79/55/16/1017795516.db2.gz AIAVCOSUIVOIRS-RYUDHWBXSA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC001601038789 1017795726 /nfs/dbraw/zinc/79/57/26/1017795726.db2.gz LYNNAVNGGOHOIR-UHFFFAOYSA-N -1 0 320.280 -0.004 20 0 DBADRM Cn1nccc1[C@H]1COCCN1CN1C[C@H](C(=O)[O-])CC1=O ZINC001601037997 1017796214 /nfs/dbraw/zinc/79/62/14/1017796214.db2.gz NELKAZXEOAZSLH-ZYHUDNBSSA-N -1 0 308.338 -0.316 20 0 DBADRM Cn1ncnc1CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC001601038859 1017796558 /nfs/dbraw/zinc/79/65/58/1017796558.db2.gz OXDADXVQWYFAQO-QWRGUYRKSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1nnc(C(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)n1 ZINC001601039808 1017797122 /nfs/dbraw/zinc/79/71/22/1017797122.db2.gz QNIZMVNUVSRKGD-UHFFFAOYSA-N -1 0 303.278 -0.057 20 0 DBADRM Cn1nnc(C(=O)N2CCOc3ccccc3[C@@H]2C(=O)[O-])n1 ZINC001601040196 1017799268 /nfs/dbraw/zinc/79/92/68/1017799268.db2.gz ZLBHLMUBIYNHJG-SNVBAGLBSA-N -1 0 303.278 -0.129 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)NC1(C(=O)[O-])CC(CO)C1)CC2 ZINC001601042368 1017799367 /nfs/dbraw/zinc/79/93/67/1017799367.db2.gz LNJXZAHWNKAGOQ-ZYTOWTHASA-N -1 0 308.338 -0.738 20 0 DBADRM Cn1nccc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001601039897 1017799387 /nfs/dbraw/zinc/79/93/87/1017799387.db2.gz VCHLLQLAXJHQQJ-KVSVUVNWSA-N -1 0 304.350 -0.313 20 0 DBADRM Cn1nnnc1CNC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CCC1 ZINC001601045543 1017800381 /nfs/dbraw/zinc/80/03/81/1017800381.db2.gz CAKJBDHARHDEBO-DTWKUNHWSA-N -1 0 308.342 -0.941 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)CC2 ZINC001601043501 1017800692 /nfs/dbraw/zinc/80/06/92/1017800692.db2.gz UKVZTGUFHPIOJN-BBBLOLIVSA-N -1 0 308.338 -0.786 20 0 DBADRM Cn1nnnc1CCNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001601045496 1017800711 /nfs/dbraw/zinc/80/07/11/1017800711.db2.gz ARMXAMHZUDEXRF-UHFFFAOYSA-N -1 0 311.323 -0.571 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)Nc1cnn(CC(=O)[O-])c1)CC2 ZINC001601042748 1017800783 /nfs/dbraw/zinc/80/07/83/1017800783.db2.gz OCPWCAJCKDRYOF-QMMMGPOBSA-N -1 0 304.310 -0.160 20 0 DBADRM Cn1nncc1CNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001601043556 1017801069 /nfs/dbraw/zinc/80/10/69/1017801069.db2.gz YALLORQPFOHIGH-UHFFFAOYSA-N -1 0 309.307 -0.170 20 0 DBADRM Cn1nnc2cc(C(=O)NCCC(=O)NCCC(=O)[O-])ccc21 ZINC001601042519 1017801119 /nfs/dbraw/zinc/80/11/19/1017801119.db2.gz CRHPTBKDBGDJEL-UHFFFAOYSA-N -1 0 319.321 -0.321 20 0 DBADRM Cn1oc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cc1=O ZINC001601045906 1017801880 /nfs/dbraw/zinc/80/18/80/1017801880.db2.gz RURCTQJBSOJNEJ-FNCVBFRFSA-N -1 0 323.305 -0.924 20 0 DBADRM Cc1nocc1CN(C)C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001498442844 1017804893 /nfs/dbraw/zinc/80/48/93/1017804893.db2.gz ICVDXKGORIZSCJ-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ncc(C(=O)[O-])cn1)C2 ZINC001601137301 1017807478 /nfs/dbraw/zinc/80/74/78/1017807478.db2.gz MWEUQCCBEDAJTL-HGNGGELXSA-N -1 0 319.321 -0.866 20 0 DBADRM NC(=O)C(=O)N[C@]12CCC[C@H]1CN(c1ncc(C(=O)[O-])cn1)C2 ZINC001601136966 1017807534 /nfs/dbraw/zinc/80/75/34/1017807534.db2.gz IJLSDMPODPTCDM-XPTSAGLGSA-N -1 0 319.321 -0.865 20 0 DBADRM NC(=O)C(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])CC2 ZINC001601136264 1017807902 /nfs/dbraw/zinc/80/79/02/1017807902.db2.gz AJJLLWHORWCWRI-NXEZZACHSA-N -1 0 323.349 -0.967 20 0 DBADRM NC(=O)C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(C(=O)[O-])n1 ZINC001601137349 1017808491 /nfs/dbraw/zinc/80/84/91/1017808491.db2.gz NZHVSDPYZFCRQM-DTWKUNHWSA-N -1 0 319.321 -0.770 20 0 DBADRM NC(=O)C1(O)CCN(S(=O)(=O)CCCCCC(=O)[O-])CC1 ZINC001601140371 1017808737 /nfs/dbraw/zinc/80/87/37/1017808737.db2.gz DLZNQWWYQHGCBW-UHFFFAOYSA-N -1 0 322.383 -0.727 20 0 DBADRM NC(=O)[C@@]1(NC(=O)CCCn2ccc(C(=O)[O-])n2)CCOC1 ZINC001601138540 1017808854 /nfs/dbraw/zinc/80/88/54/1017808854.db2.gz KAKPWLIPIMCSGR-CYBMUJFWSA-N -1 0 310.310 -0.878 20 0 DBADRM NC(=O)C1(C(=O)N2CCCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)CC1 ZINC001601140114 1017808981 /nfs/dbraw/zinc/80/89/81/1017808981.db2.gz XBOIUCRGZSLVJD-UWVGGRQHSA-N -1 0 323.349 -0.967 20 0 DBADRM NC(=O)C1(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CCC1 ZINC001601140051 1017809175 /nfs/dbraw/zinc/80/91/75/1017809175.db2.gz TVAYYJDUHCGCCZ-MRVPVSSYSA-N -1 0 300.311 -0.636 20 0 DBADRM NC(=O)[C@@H](F)C1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC001601137804 1017809306 /nfs/dbraw/zinc/80/93/06/1017809306.db2.gz DAAJDOXKMRMQSH-NSHDSACASA-N -1 0 312.301 -0.357 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001601141002 1017809654 /nfs/dbraw/zinc/80/96/54/1017809654.db2.gz GCFCHJSKHXADHG-SNVBAGLBSA-N -1 0 305.290 -0.326 20 0 DBADRM NC(=O)[C@@H]1CC(C(=O)NC[C@H](F)C(=O)[O-])=NN1c1ccccc1 ZINC001601140417 1017809976 /nfs/dbraw/zinc/80/99/76/1017809976.db2.gz AROWGFBOGYOGNQ-ONGXEEELSA-N -1 0 322.296 -0.355 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001601140832 1017810125 /nfs/dbraw/zinc/81/01/25/1017810125.db2.gz DLJDVUJQKOWUKA-XLDPMVHQSA-N -1 0 307.310 -0.911 20 0 DBADRM NC(=O)[C@@H]1CSCCN1Cc1noc(CCCC(=O)[O-])n1 ZINC001601145679 1017810904 /nfs/dbraw/zinc/81/09/04/1017810904.db2.gz ISMNENFNWVECPG-QMMMGPOBSA-N -1 0 314.367 -0.120 20 0 DBADRM NC(=O)CC(=O)NCCC1(CNc2ccnc(C(=O)[O-])n2)CC1 ZINC001601145446 1017811102 /nfs/dbraw/zinc/81/11/02/1017811102.db2.gz HKEVWGPGNQIQNL-UHFFFAOYSA-N -1 0 321.337 -0.830 20 0 DBADRM NC(=O)CC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C2 ZINC001601145490 1017811130 /nfs/dbraw/zinc/81/11/30/1017811130.db2.gz HUHRVHICRNQFJC-NXEZZACHSA-N -1 0 323.349 -0.967 20 0 DBADRM NC(=O)[C@@H]1CN(CC(=O)NC2(C(=O)[O-])CCCCC2)CCO1 ZINC001601145993 1017811221 /nfs/dbraw/zinc/81/12/21/1017811221.db2.gz KOYSNOQBUJNLHJ-JTQLQIEISA-N -1 0 313.354 -0.924 20 0 DBADRM NC(=O)CC(=O)NCCC1=CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601145356 1017811287 /nfs/dbraw/zinc/81/12/87/1017811287.db2.gz FWMCDCJPQRVGDH-WDEREUQCSA-N -1 0 323.349 -0.753 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)NCc2ccc(C(=O)[O-])s2)CCO1 ZINC001601145236 1017811531 /nfs/dbraw/zinc/81/15/31/1017811531.db2.gz AHAPRQKSEASPTA-QMMMGPOBSA-N -1 0 313.335 -0.158 20 0 DBADRM NC(=O)CC(=O)N1CCCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001601145559 1017811534 /nfs/dbraw/zinc/81/15/34/1017811534.db2.gz IICBFHLCVPHXTE-UHFFFAOYSA-N -1 0 307.310 -0.911 20 0 DBADRM NC(=O)CC(=O)NCCC1=CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601145355 1017811582 /nfs/dbraw/zinc/81/15/82/1017811582.db2.gz FWMCDCJPQRVGDH-QWRGUYRKSA-N -1 0 323.349 -0.753 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CCO1 ZINC001601148284 1017811858 /nfs/dbraw/zinc/81/18/58/1017811858.db2.gz LRYGQGWQTCZIGH-HBNTYKKESA-N -1 0 313.354 -0.084 20 0 DBADRM NC(=O)CC1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC001601147541 1017811895 /nfs/dbraw/zinc/81/18/95/1017811895.db2.gz AYEWBRUDWZAONS-UHFFFAOYSA-N -1 0 323.280 -0.204 20 0 DBADRM NC(=O)C[C@H]1CN([C@@H]2CCCN(CCC(=O)[O-])C2=O)CCO1 ZINC001601147923 1017811920 /nfs/dbraw/zinc/81/19/20/1017811920.db2.gz IUTORKZJWOMONA-WDEREUQCSA-N -1 0 313.354 -0.972 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CCO1 ZINC001601147811 1017811973 /nfs/dbraw/zinc/81/19/73/1017811973.db2.gz FWVWDRASVBXXDW-GHMZBOCLSA-N -1 0 313.354 -0.227 20 0 DBADRM NC(=O)CC(=O)NCCN(c1ncc(C(=O)[O-])cn1)C1CC1 ZINC001601146924 1017812054 /nfs/dbraw/zinc/81/20/54/1017812054.db2.gz WAHYLTICZKZCNN-UHFFFAOYSA-N -1 0 307.310 -0.865 20 0 DBADRM NC(=O)[C@H]1CCC[C@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC001601146569 1017812125 /nfs/dbraw/zinc/81/21/25/1017812125.db2.gz XXDHZHUTFAJEDJ-ATZCPNFKSA-N -1 0 308.338 -0.187 20 0 DBADRM NC(=O)C[C@@H]1CN([C@@H]2CCCN(CCC(=O)[O-])C2=O)CCO1 ZINC001601147920 1017812160 /nfs/dbraw/zinc/81/21/60/1017812160.db2.gz IUTORKZJWOMONA-GHMZBOCLSA-N -1 0 313.354 -0.972 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)CCc2ocnc2C(=O)[O-])CCO1 ZINC001601147892 1017812268 /nfs/dbraw/zinc/81/22/68/1017812268.db2.gz HPINWYBDBKEZCJ-QMMMGPOBSA-N -1 0 311.294 -0.592 20 0 DBADRM NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001601148510 1017812323 /nfs/dbraw/zinc/81/23/23/1017812323.db2.gz RHGWQJFWQXHWGJ-ZETCQYMHSA-N -1 0 316.339 -0.616 20 0 DBADRM NC(=O)CC1CC(NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC001601147935 1017812604 /nfs/dbraw/zinc/81/26/04/1017812604.db2.gz SITNNAMGGASYIR-VCJLRHCSSA-N -1 0 313.354 -0.493 20 0 DBADRM NC(=O)CCCC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001601148920 1017812741 /nfs/dbraw/zinc/81/27/41/1017812741.db2.gz BJKVXZIOBABMFJ-SECBINFHSA-N -1 0 321.337 -0.735 20 0 DBADRM NC(=O)COC1CCN(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001601152201 1017813263 /nfs/dbraw/zinc/81/32/63/1017813263.db2.gz LTKYNFMKXHFSEY-SNVBAGLBSA-N -1 0 311.338 -0.164 20 0 DBADRM NC(=O)CNC(=S)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001601151452 1017813316 /nfs/dbraw/zinc/81/33/16/1017813316.db2.gz DJFNLDDJINPBQU-LURJTMIESA-N -1 0 314.392 -0.010 20 0 DBADRM NC(=O)CN1CCC[C@@H](NC(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001601150682 1017813713 /nfs/dbraw/zinc/81/37/13/1017813713.db2.gz FDHGRCQHBPMUMT-CYBMUJFWSA-N -1 0 319.361 -0.007 20 0 DBADRM NC(=O)CNC(=O)c1cccc(OC(=O)C2(C(=O)[O-])CC2)c1 ZINC001601151553 1017813809 /nfs/dbraw/zinc/81/38/09/1017813809.db2.gz FTKZFKHYMFRADU-UHFFFAOYSA-N -1 0 306.274 -0.328 20 0 DBADRM NC(=O)CN1CCC[C@@H](NC(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001601150817 1017813846 /nfs/dbraw/zinc/81/38/46/1017813846.db2.gz IOZNHSKWGULKCF-SNVBAGLBSA-N -1 0 306.322 -0.541 20 0 DBADRM NC(=O)Cc1ccc(NC(=O)C(=O)NC2(C(=O)[O-])CC2)cc1 ZINC001601152069 1017813901 /nfs/dbraw/zinc/81/39/01/1017813901.db2.gz FNDGXDUGULMFFD-UHFFFAOYSA-N -1 0 305.290 -0.614 20 0 DBADRM NC(=O)Cn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)nn1 ZINC001601153856 1017814395 /nfs/dbraw/zinc/81/43/95/1017814395.db2.gz YZVGZLXVHICGHR-SDBXPKJASA-N -1 0 307.310 -0.910 20 0 DBADRM NC(=O)NCCCCC(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001601156183 1017814437 /nfs/dbraw/zinc/81/44/37/1017814437.db2.gz OKSBDELRRLSDAG-ZJUUUORDSA-N -1 0 301.343 -0.322 20 0 DBADRM NC(=O)N1CC[C@H](CNS(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001601154694 1017814776 /nfs/dbraw/zinc/81/47/76/1017814776.db2.gz SJRZUYHIFTULMB-MRVPVSSYSA-N -1 0 305.356 -0.829 20 0 DBADRM NC(=O)N1CCCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001601155001 1017814872 /nfs/dbraw/zinc/81/48/72/1017814872.db2.gz GYKQWRQTBPIJGG-UHFFFAOYSA-N -1 0 305.356 -0.733 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)NC[C@@]2(C(=O)[O-])CCOC2)O1 ZINC001601157269 1017815337 /nfs/dbraw/zinc/81/53/37/1017815337.db2.gz SPUMBQLPBVMSJN-BFVZDQMLSA-N -1 0 314.338 -0.593 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCO[C@H](CC(=O)[O-])C2)O1 ZINC001601157623 1017815387 /nfs/dbraw/zinc/81/53/87/1017815387.db2.gz YBYBEADVCGWPBN-MXWKQRLJSA-N -1 0 314.338 -0.498 20 0 DBADRM NC(=O)NCCC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001601157298 1017815797 /nfs/dbraw/zinc/81/57/97/1017815797.db2.gz IJUBXCGOHHDSSQ-MRVPVSSYSA-N -1 0 310.314 -0.802 20 0 DBADRM NC(=O)N[C@@H](CC(=O)N[C@@H](CO)C(=O)[O-])c1cccs1 ZINC001601158214 1017815925 /nfs/dbraw/zinc/81/59/25/1017815925.db2.gz MPOSVMZLTFEBFX-BQBZGAKWSA-N -1 0 301.324 -0.591 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001601157116 1017815959 /nfs/dbraw/zinc/81/59/59/1017815959.db2.gz NRGSMRUJXXCKMX-MNOVXSKESA-N -1 0 307.306 -0.756 20 0 DBADRM NC(=O)NC1(C(=O)N2Cc3cc(O)ccc3C[C@H]2C(=O)[O-])CC1 ZINC001601158640 1017816029 /nfs/dbraw/zinc/81/60/29/1017816029.db2.gz TWASZARXLNTIIU-NSHDSACASA-N -1 0 319.317 -0.069 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC001601160249 1017816498 /nfs/dbraw/zinc/81/64/98/1017816498.db2.gz HFCQDPXETVXUFU-OLQVQODUSA-N -1 0 304.349 -0.012 20 0 DBADRM NC(=O)c1cc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)co1 ZINC001601160847 1017816586 /nfs/dbraw/zinc/81/65/86/1017816586.db2.gz MWNLRWMXKHBMFG-QMMMGPOBSA-N -1 0 310.262 -0.389 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)O1 ZINC001601159632 1017816635 /nfs/dbraw/zinc/81/66/35/1017816635.db2.gz CIIOQGKQYPUCKK-OUAUKWLOSA-N -1 0 308.290 -0.333 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001601160777 1017816762 /nfs/dbraw/zinc/81/67/62/1017816762.db2.gz XGOVGRYXOUSMLU-UTINFBMNSA-N -1 0 304.368 -0.187 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001601160573 1017816785 /nfs/dbraw/zinc/81/67/85/1017816785.db2.gz RFJYKGOHVJEIPU-UPFKWVMWSA-N -1 0 310.310 -0.735 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC001601160160 1017816828 /nfs/dbraw/zinc/81/68/28/1017816828.db2.gz FGHGIYPOHIGBIK-HOMQSWHASA-N -1 0 319.317 -0.368 20 0 DBADRM NC(=O)[C@H](CO)NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001601159420 1017816942 /nfs/dbraw/zinc/81/69/42/1017816942.db2.gz RGLWTVNZGFJAPN-ZETCQYMHSA-N -1 0 322.726 -0.837 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c1 ZINC001601161527 1017816973 /nfs/dbraw/zinc/81/69/73/1017816973.db2.gz XCLAKKZHWZFOBQ-ZDUSSCGKSA-N -1 0 306.278 -0.441 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N(CCC(=O)[O-])Cc2ccncc2)O1 ZINC001601159019 1017817134 /nfs/dbraw/zinc/81/71/34/1017817134.db2.gz VOIVTQRELQHVJB-NWDGAFQWSA-N -1 0 321.333 -0.082 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC001601159042 1017817282 /nfs/dbraw/zinc/81/72/82/1017817282.db2.gz XGNMKLNCONFOPY-SFYZADRCSA-N -1 0 307.310 -0.739 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1 ZINC001601167245 1017817502 /nfs/dbraw/zinc/81/75/02/1017817502.db2.gz KRVLPIVJRZYYGJ-WCQYABFASA-N -1 0 322.317 -0.087 20 0 DBADRM NC(=O)c1ccc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)nc1 ZINC001601164516 1017817765 /nfs/dbraw/zinc/81/77/65/1017817765.db2.gz HCWHEZRPBWWWGT-JTQLQIEISA-N -1 0 321.289 -0.587 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)c1 ZINC001601168071 1017817800 /nfs/dbraw/zinc/81/78/00/1017817800.db2.gz HDWQUVQJJNCKDM-UHFFFAOYSA-N -1 0 305.290 -0.295 20 0 DBADRM NC(=O)c1cccc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])n1 ZINC001601168900 1017818062 /nfs/dbraw/zinc/81/80/62/1017818062.db2.gz HQSVHDQCUMYUSJ-GZMMTYOYSA-N -1 0 307.306 -0.067 20 0 DBADRM NC(=O)c1cc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)co1 ZINC001601164124 1017818195 /nfs/dbraw/zinc/81/81/95/1017818195.db2.gz UEPDSTRDNYATHA-ZDUSSCGKSA-N -1 0 307.262 -0.176 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC001601167996 1017818419 /nfs/dbraw/zinc/81/84/19/1017818419.db2.gz DGIPQDJDPKBCRH-URLYPYJESA-N -1 0 317.301 -0.487 20 0 DBADRM NC(=O)c1cccc(C(=O)NCC2(C(=O)[O-])CCOCC2)n1 ZINC001601169199 1017818642 /nfs/dbraw/zinc/81/86/42/1017818642.db2.gz PJDNJZBBHZBZOC-UHFFFAOYSA-N -1 0 307.306 -0.208 20 0 DBADRM NC(=O)c1cccc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])n1 ZINC001601168904 1017818659 /nfs/dbraw/zinc/81/86/59/1017818659.db2.gz HQSVHDQCUMYUSJ-KCJUWKMLSA-N -1 0 307.306 -0.067 20 0 DBADRM N[C@@H](CC(=O)N(CCN1CCOCC1)CC(=O)[O-])C(F)F ZINC001601171593 1017818955 /nfs/dbraw/zinc/81/89/55/1017818955.db2.gz FRZAHFZDKWHUFB-VIFPVBQESA-N -1 0 309.313 -0.786 20 0 DBADRM NC(=O)c1cn(C2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001601170746 1017819013 /nfs/dbraw/zinc/81/90/13/1017819013.db2.gz CIHKUEQIGUWEDD-DTWKUNHWSA-N -1 0 307.310 -0.739 20 0 DBADRM NC(=O)c1nccnc1C(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001601172217 1017819419 /nfs/dbraw/zinc/81/94/19/1017819419.db2.gz OEEOCFMTXOIQJT-UHFFFAOYSA-N -1 0 301.262 -0.401 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])S1 ZINC001601177968 1017819976 /nfs/dbraw/zinc/81/99/76/1017819976.db2.gz HJJUSWJDWIYHIC-BDAKNGLRSA-N -1 0 322.346 -0.250 20 0 DBADRM NC(=O)c1ncn(CC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])n1 ZINC001601174209 1017820614 /nfs/dbraw/zinc/82/06/14/1017820614.db2.gz UYDOEDXFIFMDDZ-JTQLQIEISA-N -1 0 323.353 -0.083 20 0 DBADRM NC(COC[C@H]1CCCO1)=NOCc1cn(CC(=O)[O-])nn1 ZINC001601175904 1017820670 /nfs/dbraw/zinc/82/06/70/1017820670.db2.gz CYJDLTWRBWHUAQ-SNVBAGLBSA-N -1 0 313.314 -0.443 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1 ZINC001601178635 1017820685 /nfs/dbraw/zinc/82/06/85/1017820685.db2.gz UIOTZCZPRKFGON-WHFBIAKZSA-N -1 0 307.278 -0.136 20 0 DBADRM NCC(F)(F)CC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001601182882 1017821886 /nfs/dbraw/zinc/82/18/86/1017821886.db2.gz RVSOJUFOIUIMOK-UHFFFAOYSA-N -1 0 309.313 -0.784 20 0 DBADRM NCC(F)(F)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001601182968 1017821691 /nfs/dbraw/zinc/82/16/91/1017821691.db2.gz PZVZPAKYIGMTQU-UHFFFAOYSA-N -1 0 301.315 -0.789 20 0 DBADRM NS(=O)(=O)C1(C(=O)NCC2(CC(=O)[O-])CCOCC2)CC1 ZINC001601192364 1017822281 /nfs/dbraw/zinc/82/22/81/1017822281.db2.gz LZSGKAHCZATQQC-UHFFFAOYSA-N -1 0 320.367 -0.805 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001601192804 1017822590 /nfs/dbraw/zinc/82/25/90/1017822590.db2.gz DYLAKRKVKQWZEI-JTQLQIEISA-N -1 0 322.383 -0.463 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001601192349 1017822893 /nfs/dbraw/zinc/82/28/93/1017822893.db2.gz LLNSKPBAQHDIJU-SREGZZRCSA-N -1 0 317.367 -0.688 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001601192043 1017823039 /nfs/dbraw/zinc/82/30/39/1017823039.db2.gz HHYGSNOGVHOWPZ-SECBINFHSA-N -1 0 313.335 -0.327 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001601193373 1017823481 /nfs/dbraw/zinc/82/34/81/1017823481.db2.gz XOTOYICHLPCVLY-JTQLQIEISA-N -1 0 321.399 -0.145 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccoc2CC(=O)[O-])C1 ZINC001601193657 1017823518 /nfs/dbraw/zinc/82/35/18/1017823518.db2.gz DWFJDYJROWYLPY-QMMMGPOBSA-N -1 0 316.335 -0.343 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001601194081 1017823685 /nfs/dbraw/zinc/82/36/85/1017823685.db2.gz MGQQURNCHJMFJQ-MRVPVSSYSA-N -1 0 300.340 -0.320 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC001601194607 1017823785 /nfs/dbraw/zinc/82/37/85/1017823785.db2.gz UJKGUTJNHWBXEO-UHFFFAOYSA-N -1 0 312.347 -0.183 20 0 DBADRM NS(=O)(=O)CCN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001601193982 1017823967 /nfs/dbraw/zinc/82/39/67/1017823967.db2.gz OMJWCBVFRWSBSR-UHFFFAOYSA-N -1 0 300.336 -0.132 20 0 DBADRM NS(=O)(=O)CCOCCNC(=O)c1ccccc1C(=O)[O-] ZINC001601193937 1017824042 /nfs/dbraw/zinc/82/40/42/1017824042.db2.gz NLNPFDNRXLUFQK-UHFFFAOYSA-N -1 0 316.335 -0.580 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001601194175 1017824098 /nfs/dbraw/zinc/82/40/98/1017824098.db2.gz OFJSEZQKSNGCGE-SSDOTTSWSA-N -1 0 302.308 -0.272 20 0 DBADRM NS(=O)(=O)N1CCN(C(=O)c2ccsc2C(=O)[O-])CC1 ZINC001601195111 1017824269 /nfs/dbraw/zinc/82/42/69/1017824269.db2.gz HSDPTRSJLAUFSV-UHFFFAOYSA-N -1 0 319.364 -0.592 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1 ZINC001601195362 1017824284 /nfs/dbraw/zinc/82/42/84/1017824284.db2.gz QOZVFSUHGRZAIO-UWVGGRQHSA-N -1 0 317.367 -0.809 20 0 DBADRM NS(=O)(=O)NC1CCN(C(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001601195215 1017824459 /nfs/dbraw/zinc/82/44/59/1017824459.db2.gz LAQXKOZQEDMVMY-UHFFFAOYSA-N -1 0 317.323 -0.625 20 0 DBADRM NS(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC001601195348 1017824930 /nfs/dbraw/zinc/82/49/30/1017824930.db2.gz QFVGCTYUNNPQLC-SNVBAGLBSA-N -1 0 300.340 -0.972 20 0 DBADRM NS(=O)(=O)NC1CN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC001601195025 1017824982 /nfs/dbraw/zinc/82/49/82/1017824982.db2.gz CQRZGAZWCBVCQA-UHFFFAOYSA-N -1 0 305.337 -0.936 20 0 DBADRM NS(=O)(=O)N1CCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC001601195013 1017825105 /nfs/dbraw/zinc/82/51/05/1017825105.db2.gz BOARKJPMIPENLZ-UHFFFAOYSA-N -1 0 305.381 -0.233 20 0 DBADRM NS(=O)(=O)c1ccc(CN2CCOC[C@@H]2C(=O)[O-])c(F)c1 ZINC001601198386 1017825509 /nfs/dbraw/zinc/82/55/09/1017825509.db2.gz PCIFSRZGCSJUJW-LLVKDONJSA-N -1 0 318.326 -0.242 20 0 DBADRM NS(=O)(=O)c1nc(C(=O)N2CC[C@@H]2C(=O)[O-])n2ccccc12 ZINC001601201573 1017825684 /nfs/dbraw/zinc/82/56/84/1017825684.db2.gz HDKSOZNHBXHOEX-MRVPVSSYSA-N -1 0 324.318 -0.719 20 0 DBADRM NS(=O)(=O)c1cccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC001601199920 1017825698 /nfs/dbraw/zinc/82/56/98/1017825698.db2.gz SAZWKFFBBSSQKL-KOLCDFICSA-N -1 0 300.336 -0.646 20 0 DBADRM NS(=O)(=O)c1cccc(CN2CCOC[C@@H]2C(=O)[O-])c1 ZINC001601200012 1017825703 /nfs/dbraw/zinc/82/57/03/1017825703.db2.gz YNVOPKMDGPAWLP-LLVKDONJSA-N -1 0 300.336 -0.381 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001601198353 1017825734 /nfs/dbraw/zinc/82/57/34/1017825734.db2.gz NROXQZBNCYKGHH-KOLCDFICSA-N -1 0 300.336 -0.646 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001601198354 1017825940 /nfs/dbraw/zinc/82/59/40/1017825940.db2.gz NROXQZBNCYKGHH-MWLCHTKSSA-N -1 0 300.336 -0.646 20 0 DBADRM NS(=O)(=O)c1cnn(CCC(=O)NCCCCC(=O)[O-])c1 ZINC001601201661 1017826386 /nfs/dbraw/zinc/82/63/86/1017826386.db2.gz LMYAPLSZHBREQP-UHFFFAOYSA-N -1 0 318.355 -0.708 20 0 DBADRM Nc1c(NC(=O)CN2CCC(=O)NC2=O)cccc1C(=O)[O-] ZINC001601211959 1017827113 /nfs/dbraw/zinc/82/71/13/1017827113.db2.gz ZOBFKPJOPQXLII-UHFFFAOYSA-N -1 0 306.278 -0.153 20 0 DBADRM Nc1cccnc1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001601219223 1017827209 /nfs/dbraw/zinc/82/72/09/1017827209.db2.gz XYBVBIVQSRWULT-HNNXBMFYSA-N -1 0 320.349 -0.335 20 0 DBADRM Nc1cc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])cc(Cl)n1 ZINC001601212346 1017827562 /nfs/dbraw/zinc/82/75/62/1017827562.db2.gz JCGSZMQAKKLOMS-SSDOTTSWSA-N -1 0 310.701 -0.208 20 0 DBADRM Nc1ccnc(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])n1 ZINC001601218801 1017827580 /nfs/dbraw/zinc/82/75/80/1017827580.db2.gz OQESBQNHFRUSQJ-QMMMGPOBSA-N -1 0 300.340 -0.868 20 0 DBADRM Nc1ncc(S(=O)(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cn1 ZINC001601221015 1017828403 /nfs/dbraw/zinc/82/84/03/1017828403.db2.gz FHLSWGHZIJSENA-VIFPVBQESA-N -1 0 312.351 -0.066 20 0 DBADRM Nc1nnn(CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)n1 ZINC001601223911 1017828481 /nfs/dbraw/zinc/82/84/81/1017828481.db2.gz IPOMNAVKVXECSA-SNVBAGLBSA-N -1 0 304.310 -0.022 20 0 DBADRM Nc1ncc2c(n1)CN(CC(=O)N1CCC(C(=O)[O-])CC1)CC2 ZINC001601221694 1017828517 /nfs/dbraw/zinc/82/85/17/1017828517.db2.gz MRRZFKDKPDUJEA-UHFFFAOYSA-N -1 0 319.365 -0.260 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001601222464 1017828709 /nfs/dbraw/zinc/82/87/09/1017828709.db2.gz ZUGRCAFTZXAURL-ZDUSSCGKSA-N -1 0 320.309 -0.842 20 0 DBADRM Nc1ncc(S(=O)(=O)N2CCSC[C@H]2CC(=O)[O-])cn1 ZINC001601221185 1017828784 /nfs/dbraw/zinc/82/87/84/1017828784.db2.gz MNCRVCRGMPYEGN-SSDOTTSWSA-N -1 0 318.380 -0.360 20 0 DBADRM Nc1nccnc1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001601221514 1017828845 /nfs/dbraw/zinc/82/88/45/1017828845.db2.gz GCRIEPJXXXZRKF-UHFFFAOYSA-N -1 0 305.294 -0.106 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)/C=C\CN3CCOCC3)C[C@H]1COCC2 ZINC001601231932 1017829185 /nfs/dbraw/zinc/82/91/85/1017829185.db2.gz PEHJBUZDPLGLLS-DDEZWNLPSA-N -1 0 324.377 -0.176 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)/C=C\Cn1cncn1 ZINC001601231711 1017829212 /nfs/dbraw/zinc/82/92/12/1017829212.db2.gz OSDZPHSOPWKFEJ-JWXWKVPASA-N -1 0 310.310 -0.443 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@H]1CO)C2 ZINC001601225910 1017829281 /nfs/dbraw/zinc/82/92/81/1017829281.db2.gz QYVIANFQTGMLCL-PGUXBMHVSA-N -1 0 310.350 -0.317 20 0 DBADRM Nc1nsc(N2CCN(c3ccnc(C(=O)[O-])n3)CC2)n1 ZINC001601225396 1017829797 /nfs/dbraw/zinc/82/97/97/1017829797.db2.gz VXRAELSQDWKKEW-UHFFFAOYSA-N -1 0 307.339 -0.065 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H](O)[C@H](NC(=O)C=C3CCC3)C2)nc1 ZINC001601228909 1017829824 /nfs/dbraw/zinc/82/98/24/1017829824.db2.gz LMBDMKZWJWFNBR-VXGBXAGGSA-N -1 0 318.333 -0.049 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001601255137 1017830535 /nfs/dbraw/zinc/83/05/35/1017830535.db2.gz KUCTUBLCEONKKE-VIFPVBQESA-N -1 0 321.351 -0.856 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001601257305 1017830845 /nfs/dbraw/zinc/83/08/45/1017830845.db2.gz WBUKPFWUNPJVHE-KOLCDFICSA-N -1 0 319.379 -0.193 20 0 DBADRM O=C([O-])c1cn([C@@H]2COC[C@H]2OC(=O)C[C@@H]2CCOC2)nn1 ZINC001601256645 1017830866 /nfs/dbraw/zinc/83/08/66/1017830866.db2.gz POYWLDLUGQMBSA-JMJZKYOTSA-N -1 0 311.294 -0.114 20 0 DBADRM O=C(/C=C/COC1CCOCC1)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001601232830 1017830918 /nfs/dbraw/zinc/83/09/18/1017830918.db2.gz TZLOLFQIXMAQLV-YYRQZUAOSA-N -1 0 324.337 -0.401 20 0 DBADRM O=C([O-])c1nc[nH]c1NC(=O)CC1(n2cnnn2)CCOCC1 ZINC001601247493 1017830936 /nfs/dbraw/zinc/83/09/36/1017830936.db2.gz SUGDLLGGKDVYKO-UHFFFAOYSA-N -1 0 321.297 -0.371 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC001601272619 1017831142 /nfs/dbraw/zinc/83/11/42/1017831142.db2.gz JULHUCGFXZWZKQ-JLLWLGSASA-N -1 0 311.338 -0.248 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001601257356 1017831176 /nfs/dbraw/zinc/83/11/76/1017831176.db2.gz MBVRSJLPZJNCSH-KGLIPLIRSA-N -1 0 322.361 -0.161 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)CCC(=O)N2CCOCC2)CC1 ZINC001601259376 1017831184 /nfs/dbraw/zinc/83/11/84/1017831184.db2.gz LCFRUDXLIXDTSX-UHFFFAOYSA-N -1 0 314.338 -0.937 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)NC[C@H]2CN3CCN2CC3)n1 ZINC001601272614 1017831260 /nfs/dbraw/zinc/83/12/60/1017831260.db2.gz JOPFFENENGZOAS-LBPRGKRZSA-N -1 0 321.381 -0.523 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCCNC(=O)c1ccc(F)cc1 ZINC001601268788 1017831411 /nfs/dbraw/zinc/83/14/11/1017831411.db2.gz XNBUDQIPUWHEAL-NSHDSACASA-N -1 0 312.297 -0.103 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC001601275240 1017831611 /nfs/dbraw/zinc/83/16/11/1017831611.db2.gz AAJAWEAPQBVSKP-JTQLQIEISA-N -1 0 306.274 -0.766 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCCN1C(=O)CNC1=O)c1ccccn1 ZINC001601267825 1017831789 /nfs/dbraw/zinc/83/17/89/1017831789.db2.gz CRUGHWWNBPZESV-GFCCVEGCSA-N -1 0 320.305 -0.345 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N[C@H]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC001601272620 1017831858 /nfs/dbraw/zinc/83/18/58/1017831858.db2.gz JULHUCGFXZWZKQ-WCQGTBRESA-N -1 0 311.338 -0.248 20 0 DBADRM O=C([O-])c1cn([C@@H]2COC[C@H]2OC(=O)CC2OCCO2)nn1 ZINC001601260931 1017832016 /nfs/dbraw/zinc/83/20/16/1017832016.db2.gz UEBDGNFXKPFCLG-RKDXNWHRSA-N -1 0 313.266 -0.778 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC001601276380 1017832214 /nfs/dbraw/zinc/83/22/14/1017832214.db2.gz UTMOAGKPIOBCRP-MRVPVSSYSA-N -1 0 315.301 -0.220 20 0 DBADRM O=C(CCN1CCOC1=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001601277108 1017832725 /nfs/dbraw/zinc/83/27/25/1017832725.db2.gz VQAKTYNIHKELNP-QMMMGPOBSA-N -1 0 302.283 -0.839 20 0 DBADRM O=C(CCN1CCOCC1)N[C@H](C(=O)[O-])C1CCOCC1 ZINC001601277165 1017833151 /nfs/dbraw/zinc/83/31/51/1017833151.db2.gz WVIRDRIHSHYIDD-ZDUSSCGKSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)CCS(=O)(=O)C2CCCC2)C1 ZINC001601283139 1017833263 /nfs/dbraw/zinc/83/32/63/1017833263.db2.gz NMGXZZOYIGDYCU-ZDUSSCGKSA-N -1 0 319.379 -0.218 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC001601294589 1017833561 /nfs/dbraw/zinc/83/35/61/1017833561.db2.gz PNAVLNHNXAXIJA-UHFFFAOYSA-N -1 0 317.301 -0.074 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)CCc1cn[nH]c1 ZINC001601293920 1017833593 /nfs/dbraw/zinc/83/35/93/1017833593.db2.gz OPXMVYJELQBMMA-JZIZGNRHSA-N -1 0 320.349 -0.148 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)CCn2cc[nH]c(=O)c2=O)C1(F)F ZINC001601300805 1017833660 /nfs/dbraw/zinc/83/36/60/1017833660.db2.gz RLBHOGBSABXSNK-XPUUQOCRSA-N -1 0 317.248 -0.991 20 0 DBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC1(C(=O)[O-])CC1 ZINC001601301545 1017833746 /nfs/dbraw/zinc/83/37/46/1017833746.db2.gz DZIHVRNBYKTRNL-UHFFFAOYSA-N -1 0 309.322 -0.026 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CCc2nc(-c3ccccn3)no2)C1 ZINC001601295513 1017833766 /nfs/dbraw/zinc/83/37/66/1017833766.db2.gz SAIRUKYBRJDIDP-UHFFFAOYSA-N -1 0 318.289 -0.278 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)CCn2ccnc2)C1 ZINC001601299576 1017834049 /nfs/dbraw/zinc/83/40/49/1017834049.db2.gz NEZZWTQTXRNFLP-DDHJBXDOSA-N -1 0 320.349 -0.243 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)CCn2cncn2)CC1 ZINC001601300007 1017834215 /nfs/dbraw/zinc/83/42/15/1017834215.db2.gz BIZVBALMWGLJSJ-VHSXEESVSA-N -1 0 321.337 -0.846 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001601300856 1017834453 /nfs/dbraw/zinc/83/44/53/1017834453.db2.gz UNNQCSFAHJJFGQ-DBIOUOCHSA-N -1 0 321.333 -0.458 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(CC(=O)NC2CCCC2)C1 ZINC001601305421 1017834689 /nfs/dbraw/zinc/83/46/89/1017834689.db2.gz JWAVAFUETCECIH-NWDGAFQWSA-N -1 0 309.366 -0.434 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O)NCC1CC1 ZINC001601303282 1017834795 /nfs/dbraw/zinc/83/47/95/1017834795.db2.gz QFPGIIOZXJSCGY-UWVGGRQHSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C(CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CC1)NC1CC1 ZINC001601301648 1017834853 /nfs/dbraw/zinc/83/48/53/1017834853.db2.gz UOXCXOMOASHRRH-VXGBXAGGSA-N -1 0 309.366 -0.434 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CN1CC[C@@H](c2ccccc2)NC1=O ZINC001601305191 1017834918 /nfs/dbraw/zinc/83/49/18/1017834918.db2.gz ZOFOIUKMNVOBDU-NWDGAFQWSA-N -1 0 321.333 -0.295 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)CN1C(=O)c2ccccc2C1=O ZINC001601303250 1017835026 /nfs/dbraw/zinc/83/50/26/1017835026.db2.gz PGVYMDAOOTUZHX-JTQLQIEISA-N -1 0 306.274 -0.766 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C1CC1 ZINC001601301974 1017835264 /nfs/dbraw/zinc/83/52/64/1017835264.db2.gz SZXHCVHVPCMXTA-UMNHJUIQSA-N -1 0 306.318 -0.083 20 0 DBADRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)CN1CCC(CO)CC1 ZINC001601306317 1017835535 /nfs/dbraw/zinc/83/55/35/1017835535.db2.gz YVFPZIJSSGHEQD-QWHCGFSZSA-N -1 0 314.382 -0.171 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)OCc2ccc[n+]([O-])c2)C1=O ZINC001601309289 1017835903 /nfs/dbraw/zinc/83/59/03/1017835903.db2.gz BMRNQOMBUFBMQL-LLVKDONJSA-N -1 0 308.290 -0.314 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2CCC[C@@H]2CCO)C1=O ZINC001601309313 1017836044 /nfs/dbraw/zinc/83/60/44/1017836044.db2.gz YTHVLPKJBVUKOZ-GRYCIOLGSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)N[C@@H]1CCCCNC1=O ZINC001601308794 1017836189 /nfs/dbraw/zinc/83/61/89/1017836189.db2.gz QVTKWGJUGDDLJO-VHSXEESVSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)Nc1nnc2n1CCCC2 ZINC001601309996 1017836208 /nfs/dbraw/zinc/83/62/08/1017836208.db2.gz JCGGLWVOYZLTMV-SECBINFHSA-N -1 0 321.337 -0.124 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2CCC[C@@H]2CCO)C1=O ZINC001601309316 1017836230 /nfs/dbraw/zinc/83/62/30/1017836230.db2.gz YTHVLPKJBVUKOZ-WOPDTQHZSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NCC2(n3cccn3)CC2)C1=O ZINC001601309157 1017836253 /nfs/dbraw/zinc/83/62/53/1017836253.db2.gz XKARROQPWXEPKX-NSHDSACASA-N -1 0 320.349 -0.188 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NCCCn2cccn2)C1=O ZINC001601309930 1017836435 /nfs/dbraw/zinc/83/64/35/1017836435.db2.gz GGTGZAUHNWEUOU-LLVKDONJSA-N -1 0 308.338 -0.287 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(CC(=O)NCC2CCC2)C1 ZINC001601306571 1017836637 /nfs/dbraw/zinc/83/66/37/1017836637.db2.gz SDJSRCTWNOMLSK-CHWSQXEVSA-N -1 0 323.393 -0.329 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H](CO)C(F)(F)F)C1=O ZINC001601314198 1017836904 /nfs/dbraw/zinc/83/69/04/1017836904.db2.gz YDQFXSORRYTRMS-BQBZGAKWSA-N -1 0 312.244 -0.651 20 0 DBADRM O=C(CN1CCCCC1=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001601314560 1017836988 /nfs/dbraw/zinc/83/69/88/1017836988.db2.gz OWBPPUUITIUOJR-MNOVXSKESA-N -1 0 323.349 -0.953 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2cnc3nccn3c2)C1=O ZINC001601311455 1017837110 /nfs/dbraw/zinc/83/71/10/1017837110.db2.gz FCQABAANJWQDEN-SNVBAGLBSA-N -1 0 317.305 -0.009 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NCCOc2cccnc2)C1=O ZINC001601311576 1017837355 /nfs/dbraw/zinc/83/73/55/1017837355.db2.gz XTRXKLZVHQHFRL-GFCCVEGCSA-N -1 0 321.333 -0.100 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2nc3cnccn3n2)C1=O ZINC001601312294 1017837459 /nfs/dbraw/zinc/83/74/59/1017837459.db2.gz NKKSYECJQLKZFA-MRVPVSSYSA-N -1 0 318.293 -0.614 20 0 DBADRM O=C(CN1CCCCC1=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001601314562 1017837617 /nfs/dbraw/zinc/83/76/17/1017837617.db2.gz OWBPPUUITIUOJR-WDEREUQCSA-N -1 0 323.349 -0.953 20 0 DBADRM O=C(CN1CCCS1(=O)=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001601313246 1017837769 /nfs/dbraw/zinc/83/77/69/1017837769.db2.gz FSOKCRXYKDMXJW-RGOKHQFPSA-N -1 0 302.352 -0.753 20 0 DBADRM O=C(CN1CCOC1=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001601316966 1017838003 /nfs/dbraw/zinc/83/80/03/1017838003.db2.gz ZTLNACKCPWPFQJ-NXEZZACHSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)CN2CCNC(=O)C2)cc1 ZINC001601316246 1017838398 /nfs/dbraw/zinc/83/83/98/1017838398.db2.gz CBFAMNCYOGCWCP-UHFFFAOYSA-N -1 0 305.334 -0.525 20 0 DBADRM O=C(CN1CCOC1=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001601316706 1017838416 /nfs/dbraw/zinc/83/84/16/1017838416.db2.gz RIXLIZXZEUELPZ-XIRUVYRFSA-N -1 0 312.322 -0.033 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)Nc1nnc(-c2ccco2)o1 ZINC001601317384 1017838450 /nfs/dbraw/zinc/83/84/50/1017838450.db2.gz JZBNPPTZNDHCFW-SFYZADRCSA-N -1 0 322.277 -0.212 20 0 DBADRM O=C(CN1CSCC1=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001601318366 1017838499 /nfs/dbraw/zinc/83/84/99/1017838499.db2.gz SJGWPDMENFTCAP-RKDXNWHRSA-N -1 0 302.352 -0.627 20 0 DBADRM O=C([O-])c1cccc(CCNC(=O)CN2CCOCC2=O)c1 ZINC001601317122 1017838801 /nfs/dbraw/zinc/83/88/01/1017838801.db2.gz WMWJNIOBSGIGEX-UHFFFAOYSA-N -1 0 306.318 -0.098 20 0 DBADRM O=C(CN1CCc2[nH]nc(C(=O)[O-])c2C1)NC(=O)NC1CC1 ZINC001601317747 1017838968 /nfs/dbraw/zinc/83/89/68/1017838968.db2.gz FFCSBXDKBUILSA-UHFFFAOYSA-N -1 0 307.310 -0.546 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CNC(=O)N1CCc2ccccc2C1 ZINC001601321494 1017839245 /nfs/dbraw/zinc/83/92/45/1017839245.db2.gz CNDSUOXAJDDAHF-LBPRGKRZSA-N -1 0 321.333 -0.684 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(NCC(=O)Nc2ccon2)CC1 ZINC001601326088 1017839306 /nfs/dbraw/zinc/83/93/06/1017839306.db2.gz KWJFIHMSMZMFDJ-IUCAKERBSA-N -1 0 322.321 -0.428 20 0 DBADRM O=C([O-])C1(NC(=O)CNC(=O)c2ccc(F)cc2)CC(CO)C1 ZINC001601326220 1017839541 /nfs/dbraw/zinc/83/95/41/1017839541.db2.gz KZJQEQDTTQHURI-UHFFFAOYSA-N -1 0 324.308 -0.103 20 0 DBADRM O=C([O-])c1sccc1NC(=O)C(=O)NCC(=O)NC1CC1 ZINC001601320613 1017839587 /nfs/dbraw/zinc/83/95/87/1017839587.db2.gz WBDVWRKHMIBWBI-UHFFFAOYSA-N -1 0 311.319 -0.220 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NCC(=O)NCc2ccco2)c1 ZINC001601321761 1017839673 /nfs/dbraw/zinc/83/96/73/1017839673.db2.gz QFXPTKSURXQKPP-UHFFFAOYSA-N -1 0 306.278 -0.393 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CNC(=O)N1CCc2ccccc2C1 ZINC001601321785 1017839678 /nfs/dbraw/zinc/83/96/78/1017839678.db2.gz REEGVYPOOZARQN-GFCCVEGCSA-N -1 0 321.333 -0.684 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NC[C@@H](O)c1c[nH]cn1 ZINC001601339794 1017840222 /nfs/dbraw/zinc/84/02/22/1017840222.db2.gz CRWPDHOFMAMVNV-MRVPVSSYSA-N -1 0 310.266 -0.538 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)CNS(=O)(=O)c1ccccc1F ZINC001601327543 1017840377 /nfs/dbraw/zinc/84/03/77/1017840377.db2.gz PMOWTYOGUVORTG-QMMMGPOBSA-N -1 0 322.289 -0.357 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)CNS(=O)(=O)c1ccccc1 ZINC001601327094 1017840461 /nfs/dbraw/zinc/84/04/61/1017840461.db2.gz GKGNZRTXWHGSOI-VIFPVBQESA-N -1 0 304.299 -0.496 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N[C@H](CO)C(F)(F)F ZINC001601340170 1017840684 /nfs/dbraw/zinc/84/06/84/1017840684.db2.gz OOWUVNLAHKERTA-ZCFIWIBFSA-N -1 0 312.200 -0.071 20 0 DBADRM O=C([O-])c1cn([C@@H]2COC[C@H]2OC(=O)COCC2CC2)nn1 ZINC001601336992 1017841024 /nfs/dbraw/zinc/84/10/24/1017841024.db2.gz MTXSMHKUWSVXKW-GHMZBOCLSA-N -1 0 311.294 -0.114 20 0 DBADRM O=C(COCc1ocnc1C(=O)[O-])NCCCc1cc(=O)[nH][nH]1 ZINC001601341323 1017841370 /nfs/dbraw/zinc/84/13/70/1017841370.db2.gz WFFCRIOULQRTSU-UHFFFAOYSA-N -1 0 324.293 -0.338 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CNC(=O)Cc1ccc(O)cc1 ZINC001601361117 1017841647 /nfs/dbraw/zinc/84/16/47/1017841647.db2.gz KDAIUFZKYBFQMF-SMDDNHRTSA-N -1 0 322.317 -0.591 20 0 DBADRM O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001601352719 1017841756 /nfs/dbraw/zinc/84/17/56/1017841756.db2.gz NEKYVVJALWUVDJ-UWVGGRQHSA-N -1 0 311.338 -0.018 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NCCN2C(=O)CCC2=O)cn1 ZINC001601358012 1017842007 /nfs/dbraw/zinc/84/20/07/1017842007.db2.gz OUVFOMPUGIQGTQ-UHFFFAOYSA-N -1 0 305.290 -0.413 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CS(=O)(=O)C1CC1 ZINC001601345951 1017842020 /nfs/dbraw/zinc/84/20/20/1017842020.db2.gz MXAHZGYVAUIJFY-LLVKDONJSA-N -1 0 312.347 -0.229 20 0 DBADRM O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001601352720 1017842106 /nfs/dbraw/zinc/84/21/06/1017842106.db2.gz NEKYVVJALWUVDJ-ZJUUUORDSA-N -1 0 311.338 -0.018 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)Cc1cc[nH]c(=O)c1Br ZINC001601370761 1017842426 /nfs/dbraw/zinc/84/24/26/1017842426.db2.gz BRANAZXSZVDPOK-LURJTMIESA-N -1 0 319.111 -0.346 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001601372598 1017842586 /nfs/dbraw/zinc/84/25/86/1017842586.db2.gz ROWLEYPSELEJFM-IQIPOGNMSA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)Cc1ccc2c(c1)OCO2 ZINC001601363653 1017842727 /nfs/dbraw/zinc/84/27/27/1017842727.db2.gz RYNFLKZRJUBRLY-JTQLQIEISA-N -1 0 318.289 -0.181 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001601370792 1017842895 /nfs/dbraw/zinc/84/28/95/1017842895.db2.gz CYMIBFYFUXWKLG-ZDDJMSTPSA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)Cc1cccnc1Br ZINC001601370064 1017842966 /nfs/dbraw/zinc/84/29/66/1017842966.db2.gz OWRORPUAOUYQJL-ZETCQYMHSA-N -1 0 303.112 -0.052 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)Cc1cnn2c1CCCC2 ZINC001601372532 1017843103 /nfs/dbraw/zinc/84/31/03/1017843103.db2.gz YZVZWFXNRITMHV-LLVKDONJSA-N -1 0 318.337 -0.377 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)Cc3c[nH]cn3)C2)n1 ZINC001601372301 1017843156 /nfs/dbraw/zinc/84/31/56/1017843156.db2.gz LQWPXUSRULVANQ-SECBINFHSA-N -1 0 316.321 -0.165 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N(CCNC(=O)Cc1cc[nH]n1)C1CC1 ZINC001601371085 1017843175 /nfs/dbraw/zinc/84/31/75/1017843175.db2.gz SHQXFIZNBQDHQB-RYUDHWBXSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])c1cccc(CC(=O)NC[C@]2(CO)COCCN2)c1 ZINC001601363725 1017843274 /nfs/dbraw/zinc/84/32/74/1017843274.db2.gz KGGMQQSKGAKFNE-HNNXBMFYSA-N -1 0 308.334 -0.606 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)Cc2c[nH]cn2)CC1 ZINC001601371872 1017843296 /nfs/dbraw/zinc/84/32/96/1017843296.db2.gz CQPODZPVVBFCHU-RYUDHWBXSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)Cc2ccon2)nc1 ZINC001601371479 1017843439 /nfs/dbraw/zinc/84/34/39/1017843439.db2.gz OOIAONLKQBYLHS-JTQLQIEISA-N -1 0 321.293 -0.706 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 ZINC001601379751 1017843644 /nfs/dbraw/zinc/84/36/44/1017843644.db2.gz KLSXNDDGXRTGAY-QMMMGPOBSA-N -1 0 301.324 -0.868 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)Cc2ncc[nH]2)CCC1 ZINC001601376543 1017844020 /nfs/dbraw/zinc/84/40/20/1017844020.db2.gz WAKDKBDVBIHRDP-NXEZZACHSA-N -1 0 320.349 -0.172 20 0 DBADRM O=C(Cn1cc(Br)cn1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001601378540 1017844090 /nfs/dbraw/zinc/84/40/90/1017844090.db2.gz SBLUMBPXTIJUIF-WKFQBHICSA-N -1 0 318.127 -0.260 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001601376215 1017844384 /nfs/dbraw/zinc/84/43/84/1017844384.db2.gz NFLPGHGNEPVRNU-QCLAVDOMSA-N -1 0 321.337 -0.921 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)Cc2nc3ncccn3n2)CCSC1 ZINC001601376667 1017844590 /nfs/dbraw/zinc/84/45/90/1017844590.db2.gz XWERXQOWTVYNQA-GFCCVEGCSA-N -1 0 307.335 -0.257 20 0 DBADRM O=C([O-])[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccn1 ZINC001601384854 1017844768 /nfs/dbraw/zinc/84/47/68/1017844768.db2.gz WEQPIRHSJROAKS-NSHDSACASA-N -1 0 304.262 -0.714 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC2CCN(C(=O)C3CC3)CC2)nn1 ZINC001601382376 1017844940 /nfs/dbraw/zinc/84/49/40/1017844940.db2.gz ZYFPQRPOCWUEPL-UHFFFAOYSA-N -1 0 321.337 -0.507 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCCCn2cccnc2=O)n1 ZINC001601385760 1017845023 /nfs/dbraw/zinc/84/50/23/1017845023.db2.gz XXNSQODJWKDIMT-UHFFFAOYSA-N -1 0 305.294 -0.656 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N[C@@H]2Cc3cnccc3NC2=O)n1 ZINC001601385349 1017845111 /nfs/dbraw/zinc/84/51/11/1017845111.db2.gz QJYNXNAROWYULB-LLVKDONJSA-N -1 0 315.289 -0.344 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)n1 ZINC001601384331 1017845313 /nfs/dbraw/zinc/84/53/13/1017845313.db2.gz HXNYDKONBUZNSB-SNVBAGLBSA-N -1 0 306.322 -0.292 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)nn1 ZINC001601382926 1017845511 /nfs/dbraw/zinc/84/55/11/1017845511.db2.gz URQXTVTVCAEXHY-MRVPVSSYSA-N -1 0 309.282 -0.924 20 0 DBADRM O=C([O-])c1cc(CNC(=O)Cn2ccc(=O)[nH]c2=O)ccn1 ZINC001601384179 1017845572 /nfs/dbraw/zinc/84/55/72/1017845572.db2.gz LEYJLEYOMQIJCE-UHFFFAOYSA-N -1 0 304.262 -0.642 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)c1 ZINC001601380904 1017845578 /nfs/dbraw/zinc/84/55/78/1017845578.db2.gz KFZVDKBLLKEQDC-WDEREUQCSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCC2(CF)CCOCC2)nn1 ZINC001601382873 1017845597 /nfs/dbraw/zinc/84/55/97/1017845597.db2.gz ONHWSLJCLWFSCB-UHFFFAOYSA-N -1 0 300.290 -0.141 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)c1=O ZINC001601389060 1017845911 /nfs/dbraw/zinc/84/59/11/1017845911.db2.gz YXCAKZJNUFJERG-FOGDFJRCSA-N -1 0 322.317 -0.533 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001601389654 1017845937 /nfs/dbraw/zinc/84/59/37/1017845937.db2.gz XFPKAHBESBLKLW-DBIOUOCHSA-N -1 0 306.322 -0.633 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001601389661 1017845971 /nfs/dbraw/zinc/84/59/71/1017845971.db2.gz XFPKAHBESBLKLW-XWLWVQCSSA-N -1 0 306.322 -0.633 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCCOC[C@@H]2CCCO2)c1=O ZINC001601387578 1017846592 /nfs/dbraw/zinc/84/65/92/1017846592.db2.gz CKTINTSVMLRYKC-NSHDSACASA-N -1 0 324.333 -0.142 20 0 DBADRM O=C([O-])C12CC(C1)CN2C(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001601390998 1017846994 /nfs/dbraw/zinc/84/69/94/1017846994.db2.gz GUSFQUSCVNVNIH-UHFFFAOYSA-N -1 0 320.349 -0.153 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001601391532 1017847072 /nfs/dbraw/zinc/84/70/72/1017847072.db2.gz ORGSXAWAXOEIHR-CYBMUJFWSA-N -1 0 312.301 -0.594 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ncnn1 ZINC001601391109 1017847266 /nfs/dbraw/zinc/84/72/66/1017847266.db2.gz FFOYSQFBSDGNIO-GFCCVEGCSA-N -1 0 314.305 -0.034 20 0 DBADRM O=C([O-])C1(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)CC(CO)C1 ZINC001601426800 1017847845 /nfs/dbraw/zinc/84/78/45/1017847845.db2.gz JNQWGCGZRALTOP-IPWFMCSPSA-N -1 0 324.337 -0.730 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001601426615 1017847957 /nfs/dbraw/zinc/84/79/57/1017847957.db2.gz ZNXSPYDNZFVJNB-ONGXEEELSA-N -1 0 306.322 -0.537 20 0 DBADRM O=C([O-])[C@@H](Cc1cncs1)NC(=O)C1=CCS(=O)(=O)C1 ZINC001601423216 1017848174 /nfs/dbraw/zinc/84/81/74/1017848174.db2.gz ALQAQWNYDDTTRL-SECBINFHSA-N -1 0 316.360 -0.390 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1cnc2ccccn21 ZINC001601428914 1017848211 /nfs/dbraw/zinc/84/82/11/1017848211.db2.gz OQBGMOJWCYNUIC-VIFPVBQESA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC001601420001 1017848410 /nfs/dbraw/zinc/84/84/10/1017848410.db2.gz KAZYUHARMOUWCE-VIFPVBQESA-N -1 0 319.273 -0.019 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1ccc2n[nH]nc2c1 ZINC001601429955 1017848674 /nfs/dbraw/zinc/84/86/74/1017848674.db2.gz XBZUJFRICTVNNG-JTQLQIEISA-N -1 0 301.266 -0.567 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC(F)(F)C2)CCO1 ZINC001601438239 1017849232 /nfs/dbraw/zinc/84/92/32/1017849232.db2.gz URGRCVOISKXYRE-IUCAKERBSA-N -1 0 320.292 -0.008 20 0 DBADRM O=C([O-])c1nccc(NCC2CC(NC(=O)c3ccn[nH]3)C2)n1 ZINC001601433437 1017849352 /nfs/dbraw/zinc/84/93/52/1017849352.db2.gz BHHVPHVMFWLUQX-UHFFFAOYSA-N -1 0 316.321 -0.060 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)C(=O)N[C@H]3C=CCC3)C2)nn1 ZINC001601433806 1017849543 /nfs/dbraw/zinc/84/95/43/1017849543.db2.gz BZVBOATWNDTSNA-UWVGGRQHSA-N -1 0 319.321 -0.416 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC(F)(F)C2)CCO1 ZINC001601436709 1017849713 /nfs/dbraw/zinc/84/97/13/1017849713.db2.gz CVCSPYDUCXCSJI-YUMQZZPRSA-N -1 0 306.265 -0.398 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC001601434703 1017849784 /nfs/dbraw/zinc/84/97/84/1017849784.db2.gz WIPIUQFJCRJCHA-JTQLQIEISA-N -1 0 319.317 -0.367 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)N[C@H]2CCSC2)CC1 ZINC001601443279 1017850306 /nfs/dbraw/zinc/85/03/06/1017850306.db2.gz GKKKTQWCTSPLMF-VHSXEESVSA-N -1 0 316.379 -0.708 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCOC2)c2ccccc2O1 ZINC001601447753 1017850345 /nfs/dbraw/zinc/85/03/45/1017850345.db2.gz PRSHLEUNBUJMOV-BXKDBHETSA-N -1 0 320.301 -0.230 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001601447835 1017850439 /nfs/dbraw/zinc/85/04/39/1017850439.db2.gz KKQPFDYWZGAAML-UWVGGRQHSA-N -1 0 318.333 -0.440 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)C[C@H]1COCC2 ZINC001601448236 1017850560 /nfs/dbraw/zinc/85/05/60/1017850560.db2.gz PUVPWRBTSVIULA-DKQGBHPVSA-N -1 0 322.361 -0.149 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)CNC(=O)NC2CCCCC2)C1 ZINC001601447201 1017850909 /nfs/dbraw/zinc/85/09/09/1017850909.db2.gz WTCLVBPGAPKFJQ-AWEZNQCLSA-N -1 0 313.354 -0.334 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)c2cccnc2)n1 ZINC001601460568 1017851122 /nfs/dbraw/zinc/85/11/22/1017851122.db2.gz DOYNIDBIYAWKAA-SNVBAGLBSA-N -1 0 317.305 -0.806 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001601448430 1017851160 /nfs/dbraw/zinc/85/11/60/1017851160.db2.gz PRQNXGLLKQCVAZ-VHSXEESVSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@H](CNC(=O)c1ccc2n[nH]c(=O)n2c1)[C@@H]1CCOC1 ZINC001601453143 1017851218 /nfs/dbraw/zinc/85/12/18/1017851218.db2.gz IBAIZAAKDWZECU-NXEZZACHSA-N -1 0 320.305 -0.098 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)NC[C@@H](O)CO)c(F)cc1F ZINC001601466543 1017851319 /nfs/dbraw/zinc/85/13/19/1017851319.db2.gz MTFRRCGMAKUSLZ-RXMQYKEDSA-N -1 0 318.232 -0.929 20 0 DBADRM O=C([O-])[C@H](CNC(=O)c1cnn(CCO)c1)Cc1ccncc1 ZINC001601462454 1017851418 /nfs/dbraw/zinc/85/14/18/1017851418.db2.gz GSDTXBOJSATNAN-LBPRGKRZSA-N -1 0 318.333 -0.056 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)NCC(F)F)Cc1ccncc1 ZINC001601461188 1017851613 /nfs/dbraw/zinc/85/16/13/1017851613.db2.gz PGSXGJINGKDVNN-VIFPVBQESA-N -1 0 315.276 -0.178 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CNC(=O)c1ncccc1O ZINC001601448793 1017851664 /nfs/dbraw/zinc/85/16/64/1017851664.db2.gz MBMNOORSWMGCAU-YUMQZZPRSA-N -1 0 311.269 -0.459 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001601449030 1017852043 /nfs/dbraw/zinc/85/20/43/1017852043.db2.gz UFLXBIMXJYALKL-HGNGGELXSA-N -1 0 306.322 -0.637 20 0 DBADRM O=C([O-])C1(CNC(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)CCOCC1 ZINC001601472897 1017852395 /nfs/dbraw/zinc/85/23/95/1017852395.db2.gz RUZBESFOMICJET-FRGLDACASA-N -1 0 316.379 -0.217 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC001601468755 1017852481 /nfs/dbraw/zinc/85/24/81/1017852481.db2.gz YVDDHGQBHHFVCC-QWRGUYRKSA-N -1 0 319.317 -0.062 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2cnccn2)CC1 ZINC001601476199 1017852589 /nfs/dbraw/zinc/85/25/89/1017852589.db2.gz MRQSNLNSCDPPPD-DTWKUNHWSA-N -1 0 304.306 -0.424 20 0 DBADRM O=C([O-])c1sccc1NC(=O)C(=O)NCC1(CO)COC1 ZINC001601476243 1017852777 /nfs/dbraw/zinc/85/27/77/1017852777.db2.gz OJULQHXZUDVDEV-UHFFFAOYSA-N -1 0 314.319 -0.490 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C2=CCCC2)C1 ZINC001601478095 1017853275 /nfs/dbraw/zinc/85/32/75/1017853275.db2.gz TUTUWJKWLYCKAI-WDEREUQCSA-N -1 0 308.334 -0.493 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NC[C@H]2CCC3(CCOCC3)O2)C1 ZINC001601481025 1017853451 /nfs/dbraw/zinc/85/34/51/1017853451.db2.gz JOLQQRUQPZPWSZ-SNVBAGLBSA-N -1 0 314.338 -0.445 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC001601481184 1017853524 /nfs/dbraw/zinc/85/35/24/1017853524.db2.gz YYIMMCKUQKLEFK-LPEHRKFASA-N -1 0 302.302 -0.401 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(CCNC(=O)c2cn[nH]n2)CC1 ZINC001601491239 1017854245 /nfs/dbraw/zinc/85/42/45/1017854245.db2.gz PZWOBGHPSLYZFZ-RKDXNWHRSA-N -1 0 321.337 -0.458 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001601488682 1017854251 /nfs/dbraw/zinc/85/42/51/1017854251.db2.gz UFQKUWBUPBXRER-BDAKNGLRSA-N -1 0 320.305 -0.909 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCCC(F)(F)F)C1 ZINC001601492137 1017854326 /nfs/dbraw/zinc/85/43/26/1017854326.db2.gz KZIKXSJEIZCDEP-RQJHMYQMSA-N -1 0 312.244 -0.651 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)C2=CCOCC2)C1 ZINC001601488506 1017854377 /nfs/dbraw/zinc/85/43/77/1017854377.db2.gz RDHZNIMPUOGUBJ-NWDGAFQWSA-N -1 0 308.334 -0.372 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)c1cnc[nH]c1=O ZINC001601491044 1017854737 /nfs/dbraw/zinc/85/47/37/1017854737.db2.gz HSUSQEOQACVHKC-WDESOFOKSA-N -1 0 320.305 -0.695 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)C2=CCOCC2)C1 ZINC001601488507 1017854832 /nfs/dbraw/zinc/85/48/32/1017854832.db2.gz RDHZNIMPUOGUBJ-RYUDHWBXSA-N -1 0 308.334 -0.372 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(CCNC(=O)c2cn[nH]n2)CC1 ZINC001601491238 1017854921 /nfs/dbraw/zinc/85/49/21/1017854921.db2.gz PZWOBGHPSLYZFZ-IUCAKERBSA-N -1 0 321.337 -0.458 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)c1cc[n+]([O-])cc1 ZINC001601491379 1017855217 /nfs/dbraw/zinc/85/52/17/1017855217.db2.gz KHMZDEUYHYALNG-VHYYUZIWSA-N -1 0 319.317 -0.557 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCCNC(=O)c1cccc(=O)[nH]1 ZINC001601498709 1017855379 /nfs/dbraw/zinc/85/53/79/1017855379.db2.gz HOSDEPWMOKRNPJ-DTWKUNHWSA-N -1 0 307.306 -0.256 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCCCO[C@@H]1CCOC1 ZINC001601499233 1017855594 /nfs/dbraw/zinc/85/55/94/1017855594.db2.gz DZXAVRKDAZPIHE-IJLUTSLNSA-N -1 0 316.354 -0.029 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1cc2n(n1)CCO2 ZINC001601498687 1017855730 /nfs/dbraw/zinc/85/57/30/1017855730.db2.gz GQHFULGGIGCSHE-RKDXNWHRSA-N -1 0 322.321 -0.768 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N(CCNC(=O)c1csnn1)C1CC1 ZINC001601501570 1017855995 /nfs/dbraw/zinc/85/59/95/1017855995.db2.gz BWFMKENJHVUAMA-BDAKNGLRSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NCC[C@@H]2CCCC2(F)F)C1 ZINC001601494108 1017856076 /nfs/dbraw/zinc/85/60/76/1017856076.db2.gz QNCRBMCEENYCNX-QMMMGPOBSA-N -1 0 320.292 -0.414 20 0 DBADRM O=C([O-])c1coc(CNC(=O)NCCN2C(=O)CCC2=O)c1 ZINC001601501736 1017856096 /nfs/dbraw/zinc/85/60/96/1017856096.db2.gz LWSIFPMEZLYWAS-UHFFFAOYSA-N -1 0 309.278 -0.074 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N(CCNC(=O)c1cnccn1)C1CC1 ZINC001601501966 1017856315 /nfs/dbraw/zinc/85/63/15/1017856315.db2.gz VLQHKLLUWTUBJD-MNOVXSKESA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCO[C@@H]2CCOC2)nn1 ZINC001601504093 1017856540 /nfs/dbraw/zinc/85/65/40/1017856540.db2.gz ZGSIDXREWLWPSJ-SECBINFHSA-N -1 0 313.314 -0.919 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1c[nH]nc1C1CC1 ZINC001601502938 1017856623 /nfs/dbraw/zinc/85/66/23/1017856623.db2.gz DRHWLDBUWSFIIO-RKDXNWHRSA-N -1 0 306.322 -0.146 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNC(=O)c1cnc2n1CCC2 ZINC001601503941 1017857012 /nfs/dbraw/zinc/85/70/12/1017857012.db2.gz OGSPANMPKUZOGX-IUCAKERBSA-N -1 0 306.322 -0.604 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCOC[C@H]2CCOC2)C1 ZINC001601505134 1017857159 /nfs/dbraw/zinc/85/71/59/1017857159.db2.gz BIHBOZYNUOOWQO-QWRGUYRKSA-N -1 0 314.338 -0.911 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)OCCNC(=O)c2ccncc2)O1 ZINC001601503777 1017857434 /nfs/dbraw/zinc/85/74/34/1017857434.db2.gz BSCVDGGSXJRNDO-WDEREUQCSA-N -1 0 308.290 -0.013 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCNC(=O)c2cccnc2)CC1 ZINC001601504551 1017857450 /nfs/dbraw/zinc/85/74/50/1017857450.db2.gz XOQMQHCCKBNZRL-UHFFFAOYSA-N -1 0 306.322 -0.025 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@@H]2COC3(CCC3)C2)nn1 ZINC001601517761 1017857663 /nfs/dbraw/zinc/85/76/63/1017857663.db2.gz LEQIKNQINGVYKJ-VIFPVBQESA-N -1 0 309.326 -0.013 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2cnc3[nH]cnc3c2)nn1 ZINC001601517623 1017857681 /nfs/dbraw/zinc/85/76/81/1017857681.db2.gz FCKUJWWHNHMKAU-UHFFFAOYSA-N -1 0 301.266 -0.322 20 0 DBADRM O=C([O-])c1ccccc1CCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001601512917 1017857742 /nfs/dbraw/zinc/85/77/42/1017857742.db2.gz KOUCAINIRRKPFC-MGPQQGTHSA-N -1 0 321.329 -0.544 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)NCCc2nnc[nH]2)c1 ZINC001601515852 1017857836 /nfs/dbraw/zinc/85/78/36/1017857836.db2.gz HBFNQPWOHNJSHR-UHFFFAOYSA-N -1 0 309.307 -0.138 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001601509814 1017858383 /nfs/dbraw/zinc/85/83/83/1017858383.db2.gz MKLLZLUTDKTSNE-OLZOCXBDSA-N -1 0 320.345 -0.013 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)c2cc[n+]([O-])cc2)n1 ZINC001601511154 1017858475 /nfs/dbraw/zinc/85/84/75/1017858475.db2.gz BRZFMBZTDVRUQL-UHFFFAOYSA-N -1 0 303.278 -0.928 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCc2ncsc2C1 ZINC001601520274 1017858768 /nfs/dbraw/zinc/85/87/68/1017858768.db2.gz PMNPOHVXHRCIHR-LURJTMIESA-N -1 0 301.299 -0.433 20 0 DBADRM O=C(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001601519566 1017858793 /nfs/dbraw/zinc/85/87/93/1017858793.db2.gz VKFDFNAFDICHGS-SVNGYHJRSA-N -1 0 308.334 -0.327 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001601522678 1017858987 /nfs/dbraw/zinc/85/89/87/1017858987.db2.gz AVJNEDIOBOHIKI-LDMBFOFVSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC001601522886 1017859416 /nfs/dbraw/zinc/85/94/16/1017859416.db2.gz LVWBRRPCCDFUDK-IWSPIJDZSA-N -1 0 320.292 -0.104 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CC(F)(F)C(F)(F)C1 ZINC001601526660 1017859653 /nfs/dbraw/zinc/85/96/53/1017859653.db2.gz GCXBSILPKIJROA-PHDIDXHHSA-N -1 0 312.219 -0.064 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001601525111 1017859681 /nfs/dbraw/zinc/85/96/81/1017859681.db2.gz AYQREWSYNDCOTH-JXUBOQSCSA-N -1 0 306.322 -0.245 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2cncnc2)C1 ZINC001601525144 1017859933 /nfs/dbraw/zinc/85/99/33/1017859933.db2.gz CXKZESNWFKYWGR-ZDDJMSTPSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001601523623 1017860552 /nfs/dbraw/zinc/86/05/52/1017860552.db2.gz HMYUIFWERVIJPT-RYUDHWBXSA-N -1 0 321.333 -0.505 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2C[C@H](CNC(=O)c3cnon3)C2)n1 ZINC001601525465 1017860282 /nfs/dbraw/zinc/86/02/82/1017860282.db2.gz KWVJXFGAQBFJGV-OCAPTIKFSA-N -1 0 318.293 -0.400 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2csnn2)C1 ZINC001601525475 1017860397 /nfs/dbraw/zinc/86/03/97/1017860397.db2.gz LIWBFTGIGQBJER-UYXSQOIJSA-N -1 0 324.362 -0.117 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H](F)C1 ZINC001601523025 1017860522 /nfs/dbraw/zinc/86/05/22/1017860522.db2.gz SUFJETPGOFCGJR-LMLFDSFASA-N -1 0 316.329 -0.011 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC001601538188 1017860777 /nfs/dbraw/zinc/86/07/77/1017860777.db2.gz PNCFXHOPBYSXFB-CQSZACIVSA-N -1 0 310.281 -0.510 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C1OCCO1 ZINC001601527100 1017860799 /nfs/dbraw/zinc/86/07/99/1017860799.db2.gz PZKBXCSIAWWACN-BBBLOLIVSA-N -1 0 312.322 -0.813 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCc2cscn2)C1 ZINC001601548360 1017861728 /nfs/dbraw/zinc/86/17/28/1017861728.db2.gz BAENKAXJXYPRRK-APPZFPTMSA-N -1 0 313.335 -0.947 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)NC1CCC2(COC2)CC1 ZINC001601527147 1017861748 /nfs/dbraw/zinc/86/17/48/1017861748.db2.gz RGNLRNYLWFCTRV-MWLCHTKSSA-N -1 0 310.350 -0.101 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCC[C@H]1C1OCCO1 ZINC001601572667 1017862291 /nfs/dbraw/zinc/86/22/91/1017862291.db2.gz SDELWGSYQWJBGK-AEJSXWLSSA-N -1 0 312.322 -0.670 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)C1 ZINC001601570349 1017862475 /nfs/dbraw/zinc/86/24/75/1017862475.db2.gz MXPVKQGIGQOZDR-VGMNWLOBSA-N -1 0 320.292 -0.416 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001601573810 1017862725 /nfs/dbraw/zinc/86/27/25/1017862725.db2.gz LLWNINOPGZHWEC-ZRUFSTJUSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)[C@@H]1CCc3nnnn3CC1)C2 ZINC001601574325 1017863147 /nfs/dbraw/zinc/86/31/47/1017863147.db2.gz LCXLCBMQTXKUSS-RBQUTUCGSA-N -1 0 305.338 -0.005 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2C[C@H](NC(=O)c3ccon3)C2)n1 ZINC001601574489 1017863252 /nfs/dbraw/zinc/86/32/52/1017863252.db2.gz WYUAXBWNFLFNID-OCAPTIKFSA-N -1 0 303.278 -0.042 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](O)C2)c2ccccc2O1 ZINC001601574684 1017863335 /nfs/dbraw/zinc/86/33/35/1017863335.db2.gz XWVMRNHJEFGXLZ-SBMIAAHKSA-N -1 0 320.301 -0.495 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)c2ccnnc2)C1 ZINC001601578216 1017863815 /nfs/dbraw/zinc/86/38/15/1017863815.db2.gz VRGBKEQLZJKTSH-NAKRPEOUSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@H]1COc2ccc(O)cc2O1 ZINC001601577874 1017863850 /nfs/dbraw/zinc/86/38/50/1017863850.db2.gz GSFBJJJJELUJFP-UGQGEIBHSA-N -1 0 309.274 -0.374 20 0 DBADRM CCC(=O)N(CC)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001498766680 1017863877 /nfs/dbraw/zinc/86/38/77/1017863877.db2.gz DCYGQXAUSWFTMK-SECBINFHSA-N -1 0 311.342 -0.451 20 0 DBADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCCS(=O)(=O)C2)nn1 ZINC001601601138 1017864002 /nfs/dbraw/zinc/86/40/02/1017864002.db2.gz NVAREANKOUDLAQ-ZETCQYMHSA-N -1 0 314.323 -0.127 20 0 DBADRM O=C([O-])c1cc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)ccc1F ZINC001601605013 1017864209 /nfs/dbraw/zinc/86/42/09/1017864209.db2.gz MAQKHCXPDLEQTI-IJLUTSLNSA-N -1 0 311.265 -0.125 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@H]1CC(c2ccccn2)=NO1 ZINC001601577929 1017864428 /nfs/dbraw/zinc/86/44/28/1017864428.db2.gz JAFUGNNDBCUSHR-UGQGEIBHSA-N -1 0 305.290 -0.331 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccn1 ZINC001601578596 1017864445 /nfs/dbraw/zinc/86/44/45/1017864445.db2.gz QPVIXALSIZNQHC-APLZJWDSSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(F)nc1 ZINC001601606728 1017864611 /nfs/dbraw/zinc/86/46/11/1017864611.db2.gz RJVAEOAGBYFZGI-PSASIEDQSA-N -1 0 311.269 -0.404 20 0 DBADRM O=C([O-])[C@H](CNS(=O)(=O)Cc1ccno1)[C@H]1CCOC1 ZINC001601651257 1017864784 /nfs/dbraw/zinc/86/47/84/1017864784.db2.gz KOWHUMRSPDOYIQ-WCBMZHEXSA-N -1 0 304.324 -0.169 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)[C@H]1CCCC12OCCO2 ZINC001601643744 1017865523 /nfs/dbraw/zinc/86/55/23/1017865523.db2.gz FFZJIMREGIBADS-NXEZZACHSA-N -1 0 315.322 -0.138 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)COC[C@H]2CCCO2)CC1 ZINC001601682082 1017865902 /nfs/dbraw/zinc/86/59/02/1017865902.db2.gz HFJIXTAQAPESPB-DGCLKSJQSA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)N2CC(CC3CC3)C2)CC1 ZINC001601681902 1017866294 /nfs/dbraw/zinc/86/62/94/1017866294.db2.gz VECGBRJKPVRCFG-ZDUSSCGKSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)CCCN1CCOCC1)C1CC1 ZINC001601677999 1017866456 /nfs/dbraw/zinc/86/64/56/1017866456.db2.gz YDDBRZCHHNTHSF-NSHDSACASA-N -1 0 306.384 -0.509 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC001601677899 1017866586 /nfs/dbraw/zinc/86/65/86/1017866586.db2.gz SMHTVTIUGAWVBG-ONGXEEELSA-N -1 0 302.352 -0.468 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)C1(c2cccnc2)CC1 ZINC001601663384 1017866757 /nfs/dbraw/zinc/86/67/57/1017866757.db2.gz SSCXDSXDTDEOEE-NSHDSACASA-N -1 0 301.306 -0.026 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)/C=C\CN2CCOCC2)CC1 ZINC001601683059 1017867287 /nfs/dbraw/zinc/86/72/87/1017867287.db2.gz MXWPPBDIDRHWFX-BOPNBLERSA-N -1 0 312.366 -0.441 20 0 DBADRM O=C([O-])[C@]1(CNS(=O)(=O)CC[C@H]2CCOC2)CCOC1 ZINC001601710803 1017867676 /nfs/dbraw/zinc/86/76/76/1017867676.db2.gz HMROHVSXRTUBHG-PWSUYJOCSA-N -1 0 307.368 -0.176 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(c2nnnn2CCC(F)F)CC1 ZINC001601688517 1017867682 /nfs/dbraw/zinc/86/76/82/1017867682.db2.gz QMULASMCWXCXBY-SECBINFHSA-N -1 0 305.285 -0.010 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)[C@@H]2CCCc3nn[nH]c32)CC1 ZINC001601682586 1017867762 /nfs/dbraw/zinc/86/77/62/1017867762.db2.gz KHTVUZCOHHSTIP-SKDRFNHKSA-N -1 0 308.338 -0.091 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(c2nnnn2CCC(F)F)CC1 ZINC001601688519 1017868111 /nfs/dbraw/zinc/86/81/11/1017868111.db2.gz QMULASMCWXCXBY-VIFPVBQESA-N -1 0 305.285 -0.010 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001601712079 1017868371 /nfs/dbraw/zinc/86/83/71/1017868371.db2.gz AFMHLLVZGFLKFF-QMMMGPOBSA-N -1 0 311.381 -0.652 20 0 DBADRM O=C([O-])[C@]1(F)CCN(c2nnc(CO)n2C[C@@H]2CCOC2)C1 ZINC001601721062 1017868471 /nfs/dbraw/zinc/86/84/71/1017868471.db2.gz VPZQSMMSFANNQP-ZANVPECISA-N -1 0 314.317 -0.190 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001601713304 1017868571 /nfs/dbraw/zinc/86/85/71/1017868571.db2.gz XUKFEVBWNXGEFH-LLVKDONJSA-N -1 0 318.395 -0.413 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCc3c(=O)[nH]cnc3C2)CC1 ZINC001601713255 1017868588 /nfs/dbraw/zinc/86/85/88/1017868588.db2.gz QZUIIKLLMJGQJA-UHFFFAOYSA-N -1 0 313.335 -0.265 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2C[C@H](O)[C@@H](O)C2)CCCCC1 ZINC001601712967 1017868662 /nfs/dbraw/zinc/86/86/62/1017868662.db2.gz NZIGUDPPVDANHL-UWVGGRQHSA-N -1 0 307.368 -0.611 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@H](O)COCC2CC2)CC1 ZINC001601712878 1017869035 /nfs/dbraw/zinc/86/90/35/1017869035.db2.gz HNKFLFSKWMBJKZ-JTQLQIEISA-N -1 0 307.368 -0.442 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2C[C@H](O)C[C@H](O)C2)CCCCC1 ZINC001601713742 1017869292 /nfs/dbraw/zinc/86/92/92/1017869292.db2.gz XXSDHVGOZYVEGX-PHIMTYICSA-N -1 0 321.395 -0.221 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NC2CC(N3CCOCC3)C2)CCC1 ZINC001601725810 1017869538 /nfs/dbraw/zinc/86/95/38/1017869538.db2.gz YGOSPMHALIXTDS-UHFFFAOYSA-N -1 0 318.395 -0.224 20 0 DBADRM O=C([O-])C1(O)CCN(Cc2nnn(CC(F)(F)F)n2)CC1 ZINC001601723304 1017869817 /nfs/dbraw/zinc/86/98/17/1017869817.db2.gz GRGXCILHCCHKEE-UHFFFAOYSA-N -1 0 309.248 -0.353 20 0 DBADRM O=C([O-])C1(O)CCN(S(=O)(=O)c2ccc(F)nc2F)CC1 ZINC001601723284 1017870113 /nfs/dbraw/zinc/87/01/13/1017870113.db2.gz ZNMNYYPNYFESJD-UHFFFAOYSA-N -1 0 322.289 -0.040 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)CCC2CCOCC2)C1 ZINC001601723212 1017870285 /nfs/dbraw/zinc/87/02/85/1017870285.db2.gz CYXVGCSJBZZJAY-GFCCVEGCSA-N -1 0 307.368 -0.346 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC001601723885 1017870414 /nfs/dbraw/zinc/87/04/14/1017870414.db2.gz WCWLGILOQQWBQH-WZRBSPASSA-N -1 0 319.379 -0.205 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)CC[C@H]2CCCO2)CC(CO)C1 ZINC001601722106 1017870428 /nfs/dbraw/zinc/87/04/28/1017870428.db2.gz UQFCTUBPFNGYQV-SQLBVSGCSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C1=CC[C@@H](NS(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC001601739777 1017870751 /nfs/dbraw/zinc/87/07/51/1017870751.db2.gz BWZILWDSRHDLOL-MWLCHTKSSA-N -1 0 314.363 -0.158 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)[C@@H]3CCCn4ncnc43)C2)C1 ZINC001601739957 1017871005 /nfs/dbraw/zinc/87/10/05/1017871005.db2.gz RNZAVVFUNNWWAO-OTYXRUKQSA-N -1 0 319.321 -0.013 20 0 DBADRM O=C([O-])C12CC(C(=O)N3CCN4CCOC[C@]4(CO)C3)(C1)C2 ZINC001601728509 1017871134 /nfs/dbraw/zinc/87/11/34/1017871134.db2.gz WZJOKGQNBNATGO-YMAMQOFZSA-N -1 0 310.350 -0.853 20 0 DBADRM O=C([O-])C12CCC(C(=O)N3CC4(C3)C[C@@H](O)CNC4=O)(CC1)C2 ZINC001601730547 1017871172 /nfs/dbraw/zinc/87/11/72/1017871172.db2.gz HIDAYRWUBFCBGC-SFNBMPIDSA-N -1 0 322.361 -0.269 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CC([C@@H]3CCOC3)C2)C1 ZINC001601735677 1017871392 /nfs/dbraw/zinc/87/13/92/1017871392.db2.gz BCVBWTCLZXDJQQ-ZYHUDNBSSA-N -1 0 308.334 -0.229 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CCN(CC3CC3)CC2)C1 ZINC001601737652 1017871608 /nfs/dbraw/zinc/87/16/08/1017871608.db2.gz SRCWNWQRPTZZEV-ZDUSSCGKSA-N -1 0 321.377 -0.170 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1S(=O)(=O)C[C@@H]1CCCCO1 ZINC001601752394 1017871897 /nfs/dbraw/zinc/87/18/97/1017871897.db2.gz JYIJWYPZURUGEH-AXFHLTTASA-N -1 0 307.368 -0.205 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)C1CN(CC(F)(F)F)C1 ZINC001601749937 1017872277 /nfs/dbraw/zinc/87/22/77/1017872277.db2.gz GEVVRKHXWXDEOC-IUCAKERBSA-N -1 0 310.272 -0.083 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(C(=O)C1CS(=O)(=O)C1)CC2 ZINC001601741450 1017872357 /nfs/dbraw/zinc/87/23/57/1017872357.db2.gz ZZAAEEGSVAHXSR-UHFFFAOYSA-N -1 0 316.335 -0.747 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)CS(=O)(=O)C3CC3)C2)C1 ZINC001601741266 1017872410 /nfs/dbraw/zinc/87/24/10/1017872410.db2.gz JDTFLKMGNIRACF-LBPRGKRZSA-N -1 0 316.335 -0.604 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(S(=O)(=O)c3c[nH]cn3)C2)C1 ZINC001601745281 1017872602 /nfs/dbraw/zinc/87/26/02/1017872602.db2.gz WNYGVQJAPODFIT-SNVBAGLBSA-N -1 0 300.296 -0.596 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)CNCC(F)(F)F)C2)C1 ZINC001601741947 1017872611 /nfs/dbraw/zinc/87/26/11/1017872611.db2.gz OHCZEJGHNWDEGZ-SNVBAGLBSA-N -1 0 309.244 -0.030 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC001601743464 1017872645 /nfs/dbraw/zinc/87/26/45/1017872645.db2.gz SKAPLMSOWRZEMB-LFIJZLDSSA-N -1 0 324.333 -0.130 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1S(=O)(=O)c1ccc(F)nc1F ZINC001601752991 1017872678 /nfs/dbraw/zinc/87/26/78/1017872678.db2.gz CQRRGFARTYWFMX-RCOVLWMOSA-N -1 0 322.289 -0.042 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)C(=O)N[C@H]3CC34CCC4)C2)C1 ZINC001601740703 1017872801 /nfs/dbraw/zinc/87/28/01/1017872801.db2.gz WTJPQIXXVUZVNS-ZUZCIYMTSA-N -1 0 321.333 -0.123 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC001601756462 1017873244 /nfs/dbraw/zinc/87/32/44/1017873244.db2.gz UCOPVRORGDRMGU-CWSCBRNRSA-N -1 0 323.349 -0.331 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1S(=O)(=O)CC[C@H]1CCCO1 ZINC001601757402 1017873316 /nfs/dbraw/zinc/87/33/16/1017873316.db2.gz WMHZBOSFZGFDNG-MXWKQRLJSA-N -1 0 307.368 -0.205 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001601758150 1017873427 /nfs/dbraw/zinc/87/34/27/1017873427.db2.gz MCUIDCGBEZLZJD-WCBMZHEXSA-N -1 0 306.278 -0.515 20 0 DBADRM O=C([O-])C1CC(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001601759787 1017873508 /nfs/dbraw/zinc/87/35/08/1017873508.db2.gz DITGDDMMINRRJG-TUUUFIMRSA-N -1 0 312.366 -0.154 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1Cc1nnn(CC(F)(F)F)n1 ZINC001601754310 1017873521 /nfs/dbraw/zinc/87/35/21/1017873521.db2.gz NPLNYVXJTXXDNG-HTRCEHHLSA-N -1 0 309.248 -0.355 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1Cc1cn(C[C@@H]2CCCO2)nn1 ZINC001601754897 1017873554 /nfs/dbraw/zinc/87/35/54/1017873554.db2.gz OSMDZHMTQGJUNU-XQQFMLRXSA-N -1 0 310.354 -0.133 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc(Cn2ccnn2)o1 ZINC001601758405 1017873860 /nfs/dbraw/zinc/87/38/60/1017873860.db2.gz QIKPAVVUVGCINI-JQWIXIFHSA-N -1 0 320.305 -0.031 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC001601757043 1017873897 /nfs/dbraw/zinc/87/38/97/1017873897.db2.gz FRFXNEXKGXNYAD-NWDGAFQWSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC[C@@H](CF)C2)C1 ZINC001601760449 1017874281 /nfs/dbraw/zinc/87/42/81/1017874281.db2.gz NRRQYIYMMRUPOS-HBNTYKKESA-N -1 0 316.329 -0.512 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)NCc2nnc(C3CC3)[nH]2)C1 ZINC001601764952 1017874430 /nfs/dbraw/zinc/87/44/30/1017874430.db2.gz QYXQRAZUOOUEFY-DTWKUNHWSA-N -1 0 309.326 -0.341 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)C2CCSCC2)C1 ZINC001601761074 1017874499 /nfs/dbraw/zinc/87/44/99/1017874499.db2.gz ZZRMCLBTQBLDNZ-NXEZZACHSA-N -1 0 301.364 -0.007 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC[C@H](CF)C2)C1 ZINC001601760448 1017874865 /nfs/dbraw/zinc/87/48/65/1017874865.db2.gz NRRQYIYMMRUPOS-GMTAPVOTSA-N -1 0 316.329 -0.512 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCCOc2cccnc2)C1 ZINC001601761422 1017875065 /nfs/dbraw/zinc/87/50/65/1017875065.db2.gz GIVHLQGTHFMRKP-MNOVXSKESA-N -1 0 309.322 -0.063 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001601765969 1017875714 /nfs/dbraw/zinc/87/57/14/1017875714.db2.gz ATMKIWHQFLVSNP-ONGXEEELSA-N -1 0 324.337 -0.463 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(CCn2cnc(Br)n2)C1 ZINC001601766653 1017875735 /nfs/dbraw/zinc/87/57/35/1017875735.db2.gz COZODSFZUDUDAO-YUMQZZPRSA-N -1 0 319.159 -0.192 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(c2nc(Cl)nc3[nH]c(=O)[nH]c32)C1 ZINC001601766597 1017875909 /nfs/dbraw/zinc/87/59/09/1017875909.db2.gz AOLMSXNOPZCUBC-UHNVWZDZSA-N -1 0 313.701 -0.016 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)NCc2nnc3n2CCCC3)C1 ZINC001601765726 1017875950 /nfs/dbraw/zinc/87/59/50/1017875950.db2.gz UVTISPHRLFBLQV-VHSXEESVSA-N -1 0 323.353 -0.409 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001601768100 1017876084 /nfs/dbraw/zinc/87/60/84/1017876084.db2.gz HNHAGQLVCVYBLV-QWRGUYRKSA-N -1 0 320.349 -0.016 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)NCc2nnc3n2CCCC3)C1 ZINC001601765725 1017876196 /nfs/dbraw/zinc/87/61/96/1017876196.db2.gz UVTISPHRLFBLQV-UWVGGRQHSA-N -1 0 323.353 -0.409 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2cccc(-n3cncn3)n2)C1 ZINC001601767755 1017876201 /nfs/dbraw/zinc/87/62/01/1017876201.db2.gz XTCHLTXJHAUBGJ-UWVGGRQHSA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@]2(C3CCCC3)CCNC2=O)C1 ZINC001601764968 1017876220 /nfs/dbraw/zinc/87/62/20/1017876220.db2.gz JBNFBIDTEPRLFP-SIVJFFJCSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001601775858 1017876685 /nfs/dbraw/zinc/87/66/85/1017876685.db2.gz MJDLNVMTBHIKBL-KSSYENDESA-N -1 0 324.377 -0.310 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N(CCO)CCNCc1cscn1 ZINC001601775313 1017876807 /nfs/dbraw/zinc/87/68/07/1017876807.db2.gz APULDHWIBSXNEY-QWRGUYRKSA-N -1 0 313.379 -0.226 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC1 ZINC001601775961 1017877116 /nfs/dbraw/zinc/87/71/16/1017877116.db2.gz PINBFKXCCGZCTO-QNWHQSFQSA-N -1 0 321.377 -0.385 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(C(=O)C(=O)N1C[C@@H]3COC[C@@H]3C1)CC2 ZINC001601774205 1017877251 /nfs/dbraw/zinc/87/72/51/1017877251.db2.gz WYAHVJFTWOTMFO-TUAOUCFPSA-N -1 0 322.361 -0.196 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC1 ZINC001601775962 1017877372 /nfs/dbraw/zinc/87/73/72/1017877372.db2.gz PINBFKXCCGZCTO-RNJOBUHISA-N -1 0 321.377 -0.385 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN(C(=O)c1csnn1)C1CC1 ZINC001601776806 1017877990 /nfs/dbraw/zinc/87/79/90/1017877990.db2.gz ACKJMZDSMIABCF-RKDXNWHRSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CN(Cc3cnon3)C[C@H]2C1 ZINC001601776907 1017878457 /nfs/dbraw/zinc/87/84/57/1017878457.db2.gz DVWYLAOEXCCUFY-BSJXLVFVSA-N -1 0 306.322 -0.320 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001601777146 1017878484 /nfs/dbraw/zinc/87/84/84/1017878484.db2.gz GDRCJHUABSMTLB-MNOVXSKESA-N -1 0 306.322 -0.656 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(CC(=O)N2CCCC2)C1 ZINC001601776864 1017878523 /nfs/dbraw/zinc/87/85/23/1017878523.db2.gz ATMKXBDZNIYSJC-NWDGAFQWSA-N -1 0 309.366 -0.623 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001601776647 1017878548 /nfs/dbraw/zinc/87/85/48/1017878548.db2.gz CUJYPQOCLFKZQP-NXEZZACHSA-N -1 0 320.305 -0.813 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCN1CCN(C(=O)CC2CC2)CC1 ZINC001601777427 1017878931 /nfs/dbraw/zinc/87/89/31/1017878931.db2.gz DEEGNBOOXCWTMI-OLZOCXBDSA-N -1 0 323.393 -0.232 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)C2=CCCC2)C1 ZINC001601778392 1017879035 /nfs/dbraw/zinc/87/90/35/1017879035.db2.gz KQUHUWXZPFTNIR-NWDGAFQWSA-N -1 0 322.361 -0.103 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cnn(CCF)c2)C1 ZINC001601778001 1017879281 /nfs/dbraw/zinc/87/92/81/1017879281.db2.gz HKDUGAXFDXFOMI-MNOVXSKESA-N -1 0 324.312 -0.486 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCN1CCN(C(=O)CC2CC2)CC1 ZINC001601777430 1017879356 /nfs/dbraw/zinc/87/93/56/1017879356.db2.gz DEEGNBOOXCWTMI-STQMWFEESA-N -1 0 323.393 -0.232 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC3(O)CCC3)C[C@H]21 ZINC001601778369 1017879567 /nfs/dbraw/zinc/87/95/67/1017879567.db2.gz CJXHXSBBPIKNMD-YFVNTRNASA-N -1 0 322.361 -0.415 20 0 DBADRM CC[C@@H](CNC(=O)C=C(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001498891408 1017879995 /nfs/dbraw/zinc/87/99/95/1017879995.db2.gz GCPRNBYAKLCUSU-QMMMGPOBSA-N -1 0 309.326 -0.126 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2ccccn2)C1 ZINC001601779059 1017880143 /nfs/dbraw/zinc/88/01/43/1017880143.db2.gz KXCMLFJDPFZAMM-NEPJUHHUSA-N -1 0 305.334 -0.535 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc[nH]2)C1 ZINC001601779054 1017880182 /nfs/dbraw/zinc/88/01/82/1017880182.db2.gz KVLNLHOHWQBKOX-RKDXNWHRSA-N -1 0 307.306 -0.962 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)Cc2ncccc2F)C1 ZINC001601779587 1017880195 /nfs/dbraw/zinc/88/01/95/1017880195.db2.gz NDZOKULICYNQEU-NXEZZACHSA-N -1 0 321.308 -0.189 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1=CCN(C(=O)c2cn[nH]n2)CC1 ZINC001601780964 1017881354 /nfs/dbraw/zinc/88/13/54/1017881354.db2.gz QOCGINFMCXCIEZ-UWVGGRQHSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1=CCN(C(=O)c2cn[nH]n2)CC1 ZINC001601780965 1017881791 /nfs/dbraw/zinc/88/17/91/1017881791.db2.gz QOCGINFMCXCIEZ-VHSXEESVSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)Cc2cncnc2)C1 ZINC001601781220 1017881900 /nfs/dbraw/zinc/88/19/00/1017881900.db2.gz OAVXFKQLEBGLIO-NWDGAFQWSA-N -1 0 318.333 -0.686 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCOC2(CN(C(=O)C3CCC3)C2)C1 ZINC001601782269 1017882404 /nfs/dbraw/zinc/88/24/04/1017882404.db2.gz XYJHOXAPKBOPAD-RYUDHWBXSA-N -1 0 322.361 -0.053 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)c2cn[nH]n2)CC1 ZINC001601782235 1017882422 /nfs/dbraw/zinc/88/24/22/1017882422.db2.gz XJORWVUAMSYELY-BDAKNGLRSA-N -1 0 307.310 -0.800 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(CC(=O)N2CCCCC2)C1 ZINC001601781730 1017882638 /nfs/dbraw/zinc/88/26/38/1017882638.db2.gz STUTZCGRXQHWDN-NWDGAFQWSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001601783069 1017882898 /nfs/dbraw/zinc/88/28/98/1017882898.db2.gz VUPUVOWJRYLMND-ZJUUUORDSA-N -1 0 321.337 -0.825 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001601782071 1017883284 /nfs/dbraw/zinc/88/32/84/1017883284.db2.gz PRUAHERCEDZKCL-TZFXITLGSA-N -1 0 308.334 -0.637 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2n[nH]cc2F)C1 ZINC001601784880 1017883931 /nfs/dbraw/zinc/88/39/31/1017883931.db2.gz WFRDWAZKTGLBHI-SFYZADRCSA-N -1 0 310.285 -0.542 20 0 DBADRM O=C([O-])C1CCC(S(=O)(=O)N[C@@H](CO)[C@@H]2CCOC2)CC1 ZINC001601799483 1017883971 /nfs/dbraw/zinc/88/39/71/1017883971.db2.gz QGIRDKHMFNIVBA-RSJDFQLWSA-N -1 0 321.395 -0.053 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN(C(=O)Cn1cccn1)C1CC1 ZINC001601784893 1017883992 /nfs/dbraw/zinc/88/39/92/1017883992.db2.gz WGJZKVJVCVUHRA-VXGBXAGGSA-N -1 0 320.349 -0.289 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2cnsn2)CC1 ZINC001601783930 1017884402 /nfs/dbraw/zinc/88/44/02/1017884402.db2.gz XSBDGJISKNRDDO-BDAKNGLRSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1cccnc1 ZINC001601785920 1017884481 /nfs/dbraw/zinc/88/44/81/1017884481.db2.gz ZXVAXWOLLILWDU-NEPJUHHUSA-N -1 0 321.333 -0.647 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCOC[C@@H]2C2CC2)C1=O ZINC001601817332 1017884807 /nfs/dbraw/zinc/88/48/07/1017884807.db2.gz LCIPTIRYKZKLDU-VXGBXAGGSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC001601813293 1017885021 /nfs/dbraw/zinc/88/50/21/1017885021.db2.gz XOGOTLMTBLAGML-NNYUYHANSA-N -1 0 321.395 -0.508 20 0 DBADRM O=C([O-])C1CCC(S(=O)(=O)N2CC[C@@H](O)[C@H](CO)C2)CC1 ZINC001601800218 1017885258 /nfs/dbraw/zinc/88/52/58/1017885258.db2.gz XRHKLAIYMBJMRR-POSLAHMBSA-N -1 0 321.395 -0.365 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H]2C(=O)N(CCN3CCNC3=O)C(=O)N2C1 ZINC001601800503 1017885542 /nfs/dbraw/zinc/88/55/42/1017885542.db2.gz WZILPUXBHCLWOG-DTWKUNHWSA-N -1 0 310.310 -0.861 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2Cc3cncnc3C2)C1=O ZINC001601818095 1017885693 /nfs/dbraw/zinc/88/56/93/1017885693.db2.gz ORQYXVSNPSRHSQ-JTQLQIEISA-N -1 0 304.306 -0.358 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCC[C@@H](CCO)C2)C1=O ZINC001601817828 1017885736 /nfs/dbraw/zinc/88/57/36/1017885736.db2.gz HNLPGFPPYKIIGZ-RYUDHWBXSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)Cn2ncnn2)[C@@H]([C@H]2CCCO2)C1 ZINC001601821787 1017885762 /nfs/dbraw/zinc/88/57/62/1017885762.db2.gz JVAZAZQQUCMENZ-GMTAPVOTSA-N -1 0 309.326 -0.456 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC[C@H](n3cncn3)C2)C1=O ZINC001601819133 1017885832 /nfs/dbraw/zinc/88/58/32/1017885832.db2.gz SXPPEUGDJXVXMX-QWRGUYRKSA-N -1 0 321.337 -0.625 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C3OCCO3)C2)C1 ZINC001601819778 1017886582 /nfs/dbraw/zinc/88/65/82/1017886582.db2.gz ILQFLEOGDIVFBV-ZJUUUORDSA-N -1 0 312.322 -0.859 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@@]3(CCOC3)C2)C1=O ZINC001601818128 1017886605 /nfs/dbraw/zinc/88/66/05/1017886605.db2.gz JFICYAFOVRRLBZ-IAQYHMDHSA-N -1 0 310.350 -0.051 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCOC[C@@H]2c2ncno2)CC1 ZINC001601823174 1017886830 /nfs/dbraw/zinc/88/68/30/1017886830.db2.gz LPKLWJTXFOZJBW-LLVKDONJSA-N -1 0 324.337 -0.234 20 0 DBADRM O=C([O-])[C@H]1CCN1C(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC001601834970 1017886939 /nfs/dbraw/zinc/88/69/39/1017886939.db2.gz QJZOTZFUOLYPAS-SNVBAGLBSA-N -1 0 316.310 -0.211 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N(CCN3CCCC3=O)C(=O)[C@H]2C1 ZINC001601840103 1017887078 /nfs/dbraw/zinc/88/70/78/1017887078.db2.gz GXSUOGOMLZMIOC-NXEZZACHSA-N -1 0 309.322 -0.264 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001601835271 1017887502 /nfs/dbraw/zinc/88/75/02/1017887502.db2.gz WGRHRDYKURWGGA-MWLCHTKSSA-N -1 0 320.353 -0.090 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001601823904 1017887232 /nfs/dbraw/zinc/88/72/32/1017887232.db2.gz QKGIDJAIIQZZBT-NXEZZACHSA-N -1 0 321.337 -0.123 20 0 DBADRM O=C([O-])[C@H]1CCN2C(=O)N(CCN3CCCC3=O)C(=O)[C@H]2C1 ZINC001601840105 1017887588 /nfs/dbraw/zinc/88/75/88/1017887588.db2.gz GXSUOGOMLZMIOC-VHSXEESVSA-N -1 0 309.322 -0.264 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC(Cc3ccoc3)C2)CCO1 ZINC001601839643 1017887594 /nfs/dbraw/zinc/88/75/94/1017887594.db2.gz JIMQDNPISAFFSL-LBPRGKRZSA-N -1 0 322.317 -0.408 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2COCCN2CC(F)F)CCO1 ZINC001601841180 1017888299 /nfs/dbraw/zinc/88/82/99/1017888299.db2.gz LQVJACOTJXKZHJ-RKDXNWHRSA-N -1 0 308.281 -0.736 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2[C@@H]2CO[C@H](C3CC3)C2)CCO1 ZINC001601849655 1017888361 /nfs/dbraw/zinc/88/83/61/1017888361.db2.gz JNUTYMVTMPTBFE-DCAQKATOSA-N -1 0 309.326 -0.297 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CCn2cnnn2)c2ccccc2O1 ZINC001601843105 1017888462 /nfs/dbraw/zinc/88/84/62/1017888462.db2.gz KLJSKOJJUBRICF-NSHDSACASA-N -1 0 303.278 -0.058 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCc2ncc3c(n2)CCOC3)CCO1 ZINC001601845202 1017888641 /nfs/dbraw/zinc/88/86/41/1017888641.db2.gz WHUKFWDNOPYHKK-LLVKDONJSA-N -1 0 322.321 -0.456 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2CCC[C@H]2CCOC2)CCO1 ZINC001601850971 1017888784 /nfs/dbraw/zinc/88/87/84/1017888784.db2.gz SGUXETITIYPFEN-WDEREUQCSA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])C1CN(C(=O)CN2CCCC3(CC3)S2(=O)=O)C1 ZINC001601843057 1017888809 /nfs/dbraw/zinc/88/88/09/1017888809.db2.gz JFDBXWGSGFLEEK-UHFFFAOYSA-N -1 0 302.352 -0.512 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)/C=C\C1CCOCC1 ZINC001601853838 1017889139 /nfs/dbraw/zinc/88/91/39/1017889139.db2.gz YPULEHRWFCETPV-RFMOXSJOSA-N -1 0 317.363 -0.321 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCn1cccc1 ZINC001601853968 1017889766 /nfs/dbraw/zinc/88/97/66/1017889766.db2.gz IPJSWNDHGHFSQR-SNVBAGLBSA-N -1 0 300.336 -0.412 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccncc1F ZINC001601854708 1017890244 /nfs/dbraw/zinc/89/02/44/1017890244.db2.gz VXKJKIKHXJGUCP-VIFPVBQESA-N -1 0 302.283 -0.456 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(S(=O)(=O)CCn2ccnc2)C1 ZINC001601855647 1017890354 /nfs/dbraw/zinc/89/03/54/1017890354.db2.gz FBIAAZGKUSTYKF-JTQLQIEISA-N -1 0 319.408 -0.038 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCCn1cccc1 ZINC001601854274 1017890535 /nfs/dbraw/zinc/89/05/35/1017890535.db2.gz ZUEORSQZKYPMFG-NSHDSACASA-N -1 0 314.363 -0.022 20 0 DBADRM O=C([O-])CC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC001601888122 1017890845 /nfs/dbraw/zinc/89/08/45/1017890845.db2.gz NPRYTXFFOSTILG-NXEZZACHSA-N -1 0 304.368 -0.030 20 0 DBADRM O=C([O-])CC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC001601888013 1017891339 /nfs/dbraw/zinc/89/13/39/1017891339.db2.gz DXEWYZYDHIJMSS-ZETCQYMHSA-N -1 0 307.349 -0.526 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)CCNC(=O)CO)c1ccc(F)cc1 ZINC001601898930 1017891418 /nfs/dbraw/zinc/89/14/18/1017891418.db2.gz WHDXLJNGABRXJG-LLVKDONJSA-N -1 0 312.297 -0.044 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)CN1CCNCC1=O)c1ccc(F)cc1 ZINC001601901575 1017891463 /nfs/dbraw/zinc/89/14/63/1017891463.db2.gz WFJMUHUNTUAGPG-GFCCVEGCSA-N -1 0 323.324 -0.111 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1cccc(F)c1F ZINC001601908503 1017891654 /nfs/dbraw/zinc/89/16/54/1017891654.db2.gz FQHPGMBNRSRSGP-LURJTMIESA-N -1 0 302.233 -0.145 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)CN1C(=O)c2ccccc2C1=O ZINC001601910139 1017892017 /nfs/dbraw/zinc/89/20/17/1017892017.db2.gz KKDISYBTFWUNFJ-MRVPVSSYSA-N -1 0 306.274 -0.766 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Cn1ccc2ccccc2c1=O ZINC001601911898 1017892306 /nfs/dbraw/zinc/89/23/06/1017892306.db2.gz MUFQXYRXLDSSJL-LLVKDONJSA-N -1 0 304.302 -0.047 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)c1cn(Cc2cccs2)nn1 ZINC001601912774 1017892325 /nfs/dbraw/zinc/89/23/25/1017892325.db2.gz NLRNCKWPFIXFKN-QMMMGPOBSA-N -1 0 310.335 -0.047 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC001601921486 1017893335 /nfs/dbraw/zinc/89/33/35/1017893335.db2.gz FQTAIDBWJDWBSJ-RKDXNWHRSA-N -1 0 303.336 -0.324 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CCOC1 ZINC001601926336 1017893351 /nfs/dbraw/zinc/89/33/51/1017893351.db2.gz KTVZXUGYFMHKOG-OQPBUACISA-N -1 0 310.310 -0.704 20 0 DBADRM O=C([O-])CC1(NC(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001601925649 1017893404 /nfs/dbraw/zinc/89/34/04/1017893404.db2.gz RXEGTCIOMBWBAN-UHFFFAOYSA-N -1 0 309.322 -0.122 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)[C@H]2CCCS(=O)(=O)C2)CCCOC1 ZINC001601925958 1017893453 /nfs/dbraw/zinc/89/34/53/1017893453.db2.gz WCOGOGYPNDFIPF-GWCFXTLKSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)[C@H]2CCc3nncn3C2)CCCOC1 ZINC001601926350 1017893674 /nfs/dbraw/zinc/89/36/74/1017893674.db2.gz LGZFXYHWXDHBJN-HZMBPMFUSA-N -1 0 308.338 -0.019 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CC(=O)N(C3CC3)C2)CC1 ZINC001601920961 1017893747 /nfs/dbraw/zinc/89/37/47/1017893747.db2.gz KVWHMWUOOFAQHV-UHFFFAOYSA-N -1 0 302.352 -0.165 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)C[C@@H]2CCCS2(=O)=O)CCOC1 ZINC001601925514 1017893802 /nfs/dbraw/zinc/89/38/02/1017893802.db2.gz SIFVUPVBDNGUED-CABZTGNLSA-N -1 0 305.352 -0.296 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCCn2cnccc2=O)CC1 ZINC001601923881 1017893874 /nfs/dbraw/zinc/89/38/74/1017893874.db2.gz RPSMPLYYDUNOOW-UHFFFAOYSA-N -1 0 315.351 -0.582 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CCCOC1 ZINC001601926157 1017893933 /nfs/dbraw/zinc/89/39/33/1017893933.db2.gz GERGYCMOJMQAFA-XPTSAGLGSA-N -1 0 324.337 -0.314 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)N2CCS(=O)(=O)CC2)CCOC1 ZINC001601927957 1017894124 /nfs/dbraw/zinc/89/41/24/1017894124.db2.gz SDRRGUJFAAEUFF-LLVKDONJSA-N -1 0 306.340 -0.940 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)CN2CCCCS2(=O)=O)CCOC1 ZINC001601927190 1017894298 /nfs/dbraw/zinc/89/42/98/1017894298.db2.gz ZVGRTWLTPCIGPZ-LBPRGKRZSA-N -1 0 320.367 -0.838 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)CNC(=O)c2ccncc2)CCCOC1 ZINC001601927099 1017894402 /nfs/dbraw/zinc/89/44/02/1017894402.db2.gz RTFMMEPKHYNPSC-OAHLLOKOSA-N -1 0 321.333 -0.049 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)Cn2nc3ccccn3c2=O)CCOC1 ZINC001601927909 1017894421 /nfs/dbraw/zinc/89/44/21/1017894421.db2.gz PWOGSJMCQRTFCZ-CQSZACIVSA-N -1 0 320.305 -0.754 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cscn1 ZINC001601940418 1017894856 /nfs/dbraw/zinc/89/48/56/1017894856.db2.gz JWVCFYIJITVEON-ZCFIWIBFSA-N -1 0 305.337 -0.893 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCc2cccnc21 ZINC001601940665 1017894874 /nfs/dbraw/zinc/89/48/74/1017894874.db2.gz STOJRUDZRLYBFS-MNOVXSKESA-N -1 0 303.318 -0.087 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccn(C(F)F)n1 ZINC001601939257 1017894883 /nfs/dbraw/zinc/89/48/83/1017894883.db2.gz ACTZXMINXSWENA-ZETCQYMHSA-N -1 0 302.237 -0.307 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cccn2nccc12 ZINC001601940166 1017895325 /nfs/dbraw/zinc/89/53/25/1017895325.db2.gz GRUYHJGSYPLHHG-NSHDSACASA-N -1 0 302.290 -0.250 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cc1c[nH]c2cnccc12 ZINC001601938661 1017895414 /nfs/dbraw/zinc/89/54/14/1017895414.db2.gz DCBSILRKSXYQKY-LBPRGKRZSA-N -1 0 316.317 -0.093 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cccc2c1OCO2 ZINC001601941687 1017895974 /nfs/dbraw/zinc/89/59/74/1017895974.db2.gz NFRQFGAKTKENRS-VIFPVBQESA-N -1 0 306.274 -0.169 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cnn2c1NCCC2 ZINC001601942290 1017896641 /nfs/dbraw/zinc/89/66/41/1017896641.db2.gz QVTNOAQUXMAOCJ-SECBINFHSA-N -1 0 307.310 -0.886 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)COCc1ccncc1 ZINC001601941718 1017896647 /nfs/dbraw/zinc/89/66/47/1017896647.db2.gz ZNLCVVPCQNEILD-LLVKDONJSA-N -1 0 307.306 -0.600 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc(CO)c(F)c1 ZINC001601940909 1017896705 /nfs/dbraw/zinc/89/67/05/1017896705.db2.gz KBPKURKBQVGWPX-NSHDSACASA-N -1 0 310.281 -0.267 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C[C@@H]2CCCS2(=O)=O)CCO1 ZINC001601958290 1017897131 /nfs/dbraw/zinc/89/71/31/1017897131.db2.gz XZNANPDDAJRGDN-ZJUUUORDSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCc2ccncc2)CCO1 ZINC001601957998 1017897549 /nfs/dbraw/zinc/89/75/49/1017897549.db2.gz MJAASFNMVZFHQX-NSHDSACASA-N -1 0 307.306 -0.600 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCn2ccnc2C1 ZINC001601951840 1017897570 /nfs/dbraw/zinc/89/75/70/1017897570.db2.gz LILONCWZPPLEIH-WDEREUQCSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001601952754 1017897778 /nfs/dbraw/zinc/89/77/78/1017897778.db2.gz VHKPLTGJOKGFBW-FRVSTRGASA-N -1 0 322.361 -0.008 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)NCCO[C@H]1CCOC1 ZINC001601951778 1017897789 /nfs/dbraw/zinc/89/77/89/1017897789.db2.gz JYQPLUNNEFIKOG-MNOVXSKESA-N -1 0 314.338 -0.626 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)NCCc1cnccn1 ZINC001601952743 1017897884 /nfs/dbraw/zinc/89/78/84/1017897884.db2.gz VFFZJSAWYKMMMS-LLVKDONJSA-N -1 0 306.322 -0.399 20 0 DBADRM O=C([O-])CC1CCN(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC001601955568 1017897991 /nfs/dbraw/zinc/89/79/91/1017897991.db2.gz KLKHYAMFSSBFOY-UHFFFAOYSA-N -1 0 312.370 -0.686 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCCc2ccccn2)CCO1 ZINC001601957800 1017898002 /nfs/dbraw/zinc/89/80/02/1017898002.db2.gz KOWFWSCXQOFVIH-LBPRGKRZSA-N -1 0 321.333 -0.558 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCCO2)CCO1 ZINC001601959945 1017898398 /nfs/dbraw/zinc/89/83/98/1017898398.db2.gz YYBSYVUWVBFVRU-GHMZBOCLSA-N -1 0 314.338 -0.626 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCc2cscn2)CCO1 ZINC001601959794 1017898485 /nfs/dbraw/zinc/89/84/85/1017898485.db2.gz YAOZUEGHEQTXNM-VIFPVBQESA-N -1 0 313.335 -0.539 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCCCOC(F)F)CCO1 ZINC001601959563 1017898555 /nfs/dbraw/zinc/89/85/55/1017898555.db2.gz XCUWBKKBCNUTES-QMMMGPOBSA-N -1 0 324.280 -0.566 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)N[C@@H]2CCc3nnnn3CC2)CCO1 ZINC001601960755 1017898596 /nfs/dbraw/zinc/89/85/96/1017898596.db2.gz XFYFBPFEWUDKMP-NXEZZACHSA-N -1 0 324.341 -0.737 20 0 DBADRM O=C(CCc1ccncn1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001498986285 1017898560 /nfs/dbraw/zinc/89/85/60/1017898560.db2.gz OEJPTZFGYJQHRP-NSHDSACASA-N -1 0 317.353 -0.376 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC001601964302 1017899181 /nfs/dbraw/zinc/89/91/81/1017899181.db2.gz BBZSWIUOVRQFHN-UFGYURQFSA-N -1 0 315.347 -0.688 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@]12CCOC2 ZINC001601965832 1017899432 /nfs/dbraw/zinc/89/94/32/1017899432.db2.gz SYMJGFSQTDGCTH-NRUUGDAUSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])C[C@@H]1CSCC[N@H+]1C[C@H](O)C[C@]1(O)CCOC1 ZINC001601968604 1017899461 /nfs/dbraw/zinc/89/94/61/1017899461.db2.gz AMGXQFZCWNNMIN-NQBHXWOUSA-N -1 0 305.396 -0.219 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1S(=O)(=O)N1CCCOCC1 ZINC001601967675 1017899516 /nfs/dbraw/zinc/89/95/16/1017899516.db2.gz MJWOAOSISQACMO-SNVBAGLBSA-N -1 0 324.424 -0.154 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001601964300 1017899606 /nfs/dbraw/zinc/89/96/06/1017899606.db2.gz BBZSWIUOVRQFHN-GAJNKVMBSA-N -1 0 315.347 -0.688 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccco1 ZINC001601964246 1017899625 /nfs/dbraw/zinc/89/96/25/1017899625.db2.gz QLGXBWSQGCNZSO-VIFPVBQESA-N -1 0 301.320 -0.078 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1Cn1nnc(-c2cscn2)n1 ZINC001601964258 1017899806 /nfs/dbraw/zinc/89/98/06/1017899806.db2.gz ABIYECCUESPGAG-MRVPVSSYSA-N -1 0 310.339 -0.070 20 0 DBADRM O=C([O-])C[C@H]1COCCN1S(=O)(=O)N1CCCOCC1 ZINC001601964606 1017899876 /nfs/dbraw/zinc/89/98/76/1017899876.db2.gz GMTWREPHTRHQLA-JTQLQIEISA-N -1 0 308.356 -0.871 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1c[nH]c(=S)[nH]1 ZINC001601968878 1017901229 /nfs/dbraw/zinc/90/12/29/1017901229.db2.gz VBNLNTDWDHHPBT-LURJTMIESA-N -1 0 319.364 -0.588 20 0 DBADRM O=C([O-])CCCCC(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001601982115 1017902548 /nfs/dbraw/zinc/90/25/48/1017902548.db2.gz FUDXNONSDQPLQA-SECBINFHSA-N -1 0 321.351 -0.522 20 0 DBADRM O=C([O-])CCCC(=O)N1CCO[C@H](CN2CCOCC2)C1 ZINC001601978383 1017902700 /nfs/dbraw/zinc/90/27/00/1017902700.db2.gz HTKGCWDGHMVFQE-GFCCVEGCSA-N -1 0 300.355 -0.199 20 0 DBADRM O=C([O-])CCCNC(=S)NNC(=S)NC[C@H]1CCCO1 ZINC001601993124 1017906373 /nfs/dbraw/zinc/90/63/73/1017906373.db2.gz CBBTYBNDQBPGIS-MRVPVSSYSA-N -1 0 320.440 -0.127 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCCN1CCC2(C1)OCCO2 ZINC001601999462 1017907158 /nfs/dbraw/zinc/90/71/58/1017907158.db2.gz FYYYPJPIOGKZQA-UHFFFAOYSA-N -1 0 322.383 -0.781 20 0 DBADRM O=C([O-])CCCc1nc(CN2CCN3C(=O)NC(=O)[C@@H]3C2)no1 ZINC001602000966 1017907292 /nfs/dbraw/zinc/90/72/92/1017907292.db2.gz FHQKHAJCWYDYEK-QMMMGPOBSA-N -1 0 323.309 -0.787 20 0 DBADRM O=C([O-])CCN1CC[C@@H](n2cc(CN3CCCC3=O)nn2)C1=O ZINC001602011626 1017908910 /nfs/dbraw/zinc/90/89/10/1017908910.db2.gz BTPZGYVADXDSMT-LLVKDONJSA-N -1 0 321.337 -0.351 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CCC[C@@H](N3CCNC3=O)C2)C1=O ZINC001602009533 1017910435 /nfs/dbraw/zinc/91/04/35/1017910435.db2.gz JCJHCHYWAUTXEO-VXGBXAGGSA-N -1 0 324.381 -0.448 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)c2nccn3ccnc23)C1=O ZINC001602010547 1017911054 /nfs/dbraw/zinc/91/10/54/1017911054.db2.gz HDLXEEQOCZUSSB-SECBINFHSA-N -1 0 318.289 -0.038 20 0 DBADRM O=C([O-])CCN1CC[C@@H](n2cc(Cn3cccn3)nn2)C1=O ZINC001602015084 1017915200 /nfs/dbraw/zinc/91/52/00/1017915200.db2.gz VEQWDUSAJATHDM-LLVKDONJSA-N -1 0 304.310 -0.229 20 0 DBADRM O=C([O-])CSCCC(=O)NC[C@@]1(OCCO)CCOC1 ZINC001602097935 1017953570 /nfs/dbraw/zinc/95/35/70/1017953570.db2.gz AOQKVUIKMSOWCH-LBPRGKRZSA-N -1 0 307.368 -0.522 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NC[C@@]1(O)CCSC1 ZINC001602019715 1017918325 /nfs/dbraw/zinc/91/83/25/1017918325.db2.gz OPOMJEZESCCWJN-LBPRGKRZSA-N -1 0 319.383 -0.865 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCC[C@@H]1CCO ZINC001602018193 1017918357 /nfs/dbraw/zinc/91/83/57/1017918357.db2.gz RCTATPWSHISPMC-SNVBAGLBSA-N -1 0 301.343 -0.476 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)COCC(F)(F)F ZINC001602017570 1017919368 /nfs/dbraw/zinc/91/93/68/1017919368.db2.gz AMEWAIISLQVCFW-UHFFFAOYSA-N -1 0 300.233 -0.338 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NC[C@@H]1CCCCO1 ZINC001602019564 1017920598 /nfs/dbraw/zinc/92/05/98/1017920598.db2.gz NGZVPKOCTYXWBN-JTQLQIEISA-N -1 0 301.343 -0.164 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NC[C@@H](O)C1CCC1 ZINC001602020229 1017922041 /nfs/dbraw/zinc/92/20/41/1017922041.db2.gz URYZCGNUOYXHRA-SNVBAGLBSA-N -1 0 301.343 -0.572 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NC[C@H]1CC[C@@H](O)C1 ZINC001602020208 1017922411 /nfs/dbraw/zinc/92/24/11/1017922411.db2.gz UIQVHSNLGOAMSW-VHSXEESVSA-N -1 0 301.343 -0.572 20 0 DBADRM O=C([O-])CCNC(=O)CCNS(=O)(=O)CC[C@@H]1CCOC1 ZINC001602020105 1017922849 /nfs/dbraw/zinc/92/28/49/1017922849.db2.gz YGNOHCSWAYOZCU-JTQLQIEISA-N -1 0 322.383 -0.687 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)C1(N2CCOCC2)CCC1 ZINC001602021545 1017923262 /nfs/dbraw/zinc/92/32/62/1017923262.db2.gz LTLDKEHWVGLAQI-UHFFFAOYSA-N -1 0 314.338 -0.625 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001602021591 1017923591 /nfs/dbraw/zinc/92/35/91/1017923591.db2.gz LBDNGGZZZLXABO-UHFFFAOYSA-N -1 0 323.261 -0.840 20 0 DBADRM O=C([O-])CCNS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC001602025791 1017923744 /nfs/dbraw/zinc/92/37/44/1017923744.db2.gz UJPXSCKSFKVCAA-UHFFFAOYSA-N -1 0 319.360 -0.132 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NOC[C@H]1CCOC1 ZINC001602020897 1017924079 /nfs/dbraw/zinc/92/40/79/1017924079.db2.gz UOYNWSUVDOULJP-VIFPVBQESA-N -1 0 303.315 -0.765 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@H]1COC2(CCC2)C1 ZINC001602020179 1017925218 /nfs/dbraw/zinc/92/52/18/1017925218.db2.gz SSZCUGNLPRDCPW-SNVBAGLBSA-N -1 0 313.354 -0.022 20 0 DBADRM O=C([O-])CC[C@H]1NC(=O)N(CCCN2C(=O)CCC2=O)C1=O ZINC001602039129 1017925832 /nfs/dbraw/zinc/92/58/32/1017925832.db2.gz MAJWPUQSDIGKSO-MRVPVSSYSA-N -1 0 311.294 -0.689 20 0 DBADRM O=C([O-])CCSCCNC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001602029385 1017926190 /nfs/dbraw/zinc/92/61/90/1017926190.db2.gz GMMZCAHAOZFAOZ-NXEZZACHSA-N -1 0 314.367 -0.088 20 0 DBADRM O=C([O-])CCc1nnc(NC(=O)C2(n3cnnn3)CC2)s1 ZINC001602048161 1017926296 /nfs/dbraw/zinc/92/62/96/1017926296.db2.gz FLABFQXPRRPDEX-UHFFFAOYSA-N -1 0 309.311 -0.330 20 0 DBADRM O=C([O-])CCc1nc(COC(=O)[C@H]2CCCS2(=O)=O)no1 ZINC001602047984 1017926857 /nfs/dbraw/zinc/92/68/57/1017926857.db2.gz PUMJVHZURBVKOS-SSDOTTSWSA-N -1 0 318.307 -0.293 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)O1 ZINC001602037828 1017927017 /nfs/dbraw/zinc/92/70/17/1017927017.db2.gz TXVDLRYDBNUADX-LPEHRKFASA-N -1 0 305.352 -0.298 20 0 DBADRM O=C([O-])CN(C(=O)C1=NN(CCO)C(=O)CC1)C1CCCC1 ZINC001602051206 1017928208 /nfs/dbraw/zinc/92/82/08/1017928208.db2.gz RATDMNVQQCGSJR-UHFFFAOYSA-N -1 0 311.338 -0.187 20 0 DBADRM O=C([O-])CN(CCC(F)(F)F)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001602054441 1017929975 /nfs/dbraw/zinc/92/99/75/1017929975.db2.gz VCDJIQBIBPIXHU-UHFFFAOYSA-N -1 0 323.227 -0.186 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001602054925 1017932497 /nfs/dbraw/zinc/93/24/97/1017932497.db2.gz PEUDVNIELXDBPU-YNEHKIRRSA-N -1 0 324.377 -0.153 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)Cc1cncc(O)c1 ZINC001602055117 1017933355 /nfs/dbraw/zinc/93/33/55/1017933355.db2.gz YMEWIYAZNRIBOK-UHFFFAOYSA-N -1 0 323.349 -0.425 20 0 DBADRM O=C([O-])CN1CCN(S(=O)(=O)CCC(F)(F)F)CC1 ZINC001602061962 1017933424 /nfs/dbraw/zinc/93/34/24/1017933424.db2.gz AXRGCCULKKBILO-UHFFFAOYSA-N -1 0 304.290 -0.029 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC001602065099 1017934713 /nfs/dbraw/zinc/93/47/13/1017934713.db2.gz HZXKEXMEYYRJBA-LLVKDONJSA-N -1 0 318.395 -0.524 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001602064408 1017934928 /nfs/dbraw/zinc/93/49/28/1017934928.db2.gz UCOPBDDGXSOQMS-CABZTGNLSA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccns1 ZINC001602065848 1017935631 /nfs/dbraw/zinc/93/56/31/1017935631.db2.gz OQNSOUKKIGBQPF-SSDOTTSWSA-N -1 0 319.364 -0.503 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)CN1CCSC1=O ZINC001602065391 1017936016 /nfs/dbraw/zinc/93/60/16/1017936016.db2.gz GYUUDDKCGMCIPX-QMMMGPOBSA-N -1 0 315.351 -0.653 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1cn2cccnc2n1 ZINC001602066964 1017941037 /nfs/dbraw/zinc/94/10/37/1017941037.db2.gz OMEHWTCUROQQOG-SNVBAGLBSA-N -1 0 317.305 -0.465 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)CCc1ccc2c(c1)CCO2 ZINC001602069072 1017941383 /nfs/dbraw/zinc/94/13/83/1017941383.db2.gz HZENQMUBXZQIFN-UHFFFAOYSA-N -1 0 306.318 -0.129 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1ccc2c(c1)NC(=O)C2 ZINC001602069699 1017943841 /nfs/dbraw/zinc/94/38/41/1017943841.db2.gz YEHVORSPDTVPEJ-UHFFFAOYSA-N -1 0 306.278 -0.497 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)Cn2cncn2)cc1 ZINC001602071861 1017945521 /nfs/dbraw/zinc/94/55/21/1017945521.db2.gz IQGBZLQIMXVFKB-UHFFFAOYSA-N -1 0 317.305 -0.340 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1cccc2nccnc21 ZINC001602069616 1017946062 /nfs/dbraw/zinc/94/60/62/1017946062.db2.gz RSSBPUCUEVTHBY-UHFFFAOYSA-N -1 0 303.278 -0.048 20 0 DBADRM O=C([O-])COCCNC(=O)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC001602078887 1017947305 /nfs/dbraw/zinc/94/73/05/1017947305.db2.gz MWRARVORXAREOI-QJPTWQEYSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC001602078047 1017949417 /nfs/dbraw/zinc/94/94/17/1017949417.db2.gz UHJQHXMVIVUTON-UHFFFAOYSA-N -1 0 306.278 -0.510 20 0 DBADRM O=C([O-])COCCNC(=O)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC001602078888 1017950278 /nfs/dbraw/zinc/95/02/78/1017950278.db2.gz MWRARVORXAREOI-TUAOUCFPSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])COCC(=O)N1CCC[C@@H]1C(=O)NCc1ccco1 ZINC001602076289 1017950332 /nfs/dbraw/zinc/95/03/32/1017950332.db2.gz PUBJZLHXRMLAFF-LLVKDONJSA-N -1 0 310.306 -0.012 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N2CC(=O)NCC23COC3)c1 ZINC001602090098 1017951590 /nfs/dbraw/zinc/95/15/90/1017951590.db2.gz ZKLXRJOAXSDNBQ-UHFFFAOYSA-N -1 0 320.301 -0.509 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)NCc2cn[nH]n2)c1 ZINC001602094520 1017953035 /nfs/dbraw/zinc/95/30/35/1017953035.db2.gz XSIVZZRQQZHCGZ-UHFFFAOYSA-N -1 0 319.277 -0.477 20 0 DBADRM O=C([O-])COc1cccc(C(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC001602090390 1017953251 /nfs/dbraw/zinc/95/32/51/1017953251.db2.gz VEWBPAAVOOYRKK-UHFFFAOYSA-N -1 0 321.333 -0.688 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCOC[C@H]1C[C@@H]1CCOC1 ZINC001602079820 1017953842 /nfs/dbraw/zinc/95/38/42/1017953842.db2.gz UKNKCOZIKHNFDR-NWDGAFQWSA-N -1 0 316.354 -0.075 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC001602089594 1017953993 /nfs/dbraw/zinc/95/39/93/1017953993.db2.gz AONVJGPOOMXPBM-AAEUAGOBSA-N -1 0 309.318 -0.035 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N[C@H]2CCNC2=O)cc1 ZINC001602089542 1017954146 /nfs/dbraw/zinc/95/41/46/1017954146.db2.gz STGNVEBIHKROPU-JTQLQIEISA-N -1 0 314.319 -0.683 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)CN2C(=O)CNC2=O)cc1F ZINC001602123247 1017956286 /nfs/dbraw/zinc/95/62/86/1017956286.db2.gz FNKHGUJIOVTXPM-UHFFFAOYSA-N -1 0 309.253 -0.057 20 0 DBADRM O=C([O-])CSCCNC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001602099830 1017956397 /nfs/dbraw/zinc/95/63/97/1017956397.db2.gz RBEJXXLWWMBTDV-SQFXPHBZSA-N -1 0 315.347 -0.359 20 0 DBADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)NCCN1CCNC(=O)C1 ZINC001602118348 1017957318 /nfs/dbraw/zinc/95/73/18/1017957318.db2.gz JBPDEIVSZAKKBG-WDEREUQCSA-N -1 0 312.370 -0.639 20 0 DBADRM O=C([O-])Cc1cccc(C(=O)NCCN2CCNC(=O)C2)c1 ZINC001602132771 1017957972 /nfs/dbraw/zinc/95/79/72/1017957972.db2.gz NNPNQJHHZMDDGJ-UHFFFAOYSA-N -1 0 305.334 -0.525 20 0 DBADRM O=C([O-])CSCCNC(=O)N[C@H](CO)C1CCOCC1 ZINC001602100357 1017958026 /nfs/dbraw/zinc/95/80/26/1017958026.db2.gz NWJWDIIFPRFTIY-SNVBAGLBSA-N -1 0 306.384 -0.109 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)C1 ZINC001602108675 1017958133 /nfs/dbraw/zinc/95/81/33/1017958133.db2.gz FKXOAKKSYUXKPB-DZHLUBAWSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)n[nH]1 ZINC001602153606 1017959373 /nfs/dbraw/zinc/95/93/73/1017959373.db2.gz FERSZNYVIKXZOM-CFZSOOSYSA-N -1 0 322.277 -0.909 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)C[C@H]2CCCS2(=O)=O)n[nH]1 ZINC001602154341 1017959752 /nfs/dbraw/zinc/95/97/52/1017959752.db2.gz KZBMHWFJWFSLQV-ZCFIWIBFSA-N -1 0 302.312 -0.662 20 0 DBADRM O=C([O-])Cc1occc1C(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC001602157383 1017959825 /nfs/dbraw/zinc/95/98/25/1017959825.db2.gz VZUKEDLZLPABPZ-UHFFFAOYSA-N -1 0 319.321 -0.017 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)n[nH]1 ZINC001602154626 1017961852 /nfs/dbraw/zinc/96/18/52/1017961852.db2.gz PSZOKQFZYWSJFU-LURJTMIESA-N -1 0 300.296 -0.681 20 0 DBADRM O=C([O-])Cn1cc(CN2CCC(Cn3ccnn3)CC2)nn1 ZINC001602161436 1017963461 /nfs/dbraw/zinc/96/34/61/1017963461.db2.gz ZVQKJTKIRBHZEX-UHFFFAOYSA-N -1 0 305.342 -0.134 20 0 DBADRM O=C([O-])Cn1cc(CN2[C@@H]3CC[C@@H](C3)CS2(=O)=O)nn1 ZINC001602163062 1017963768 /nfs/dbraw/zinc/96/37/68/1017963768.db2.gz URQTXWYGLXQAOL-WCBMZHEXSA-N -1 0 300.340 -0.323 20 0 DBADRM O=C([O-])Cn1cc(CN2CCN(c3ncc(F)cn3)CC2)nn1 ZINC001602163082 1017964150 /nfs/dbraw/zinc/96/41/50/1017964150.db2.gz VRPSRRXXCZDGPA-UHFFFAOYSA-N -1 0 321.316 -0.386 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)C(F)(F)C2(O)CCC2)nn1 ZINC001602160622 1017964192 /nfs/dbraw/zinc/96/41/92/1017964192.db2.gz LPIWRGUDEZGGAJ-UHFFFAOYSA-N -1 0 319.264 -0.001 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cn1 ZINC001602163437 1017965034 /nfs/dbraw/zinc/96/50/34/1017965034.db2.gz NHJUOBFNSFLRCG-MKPLZMMCSA-N -1 0 315.351 -0.498 20 0 DBADRM O=C([O-])Cn1cc(CC[S@@](=O)Cc2cc3n(n2)CCC3)nn1 ZINC001602161465 1017965897 /nfs/dbraw/zinc/96/58/97/1017965897.db2.gz SQRUHVSSGXAXNT-JOCHJYFZSA-N -1 0 323.378 -0.003 20 0 DBADRM O=C([O-])Cn1cc(CCN2C(=O)N=NC2c2cccnc2)nn1 ZINC001602161300 1017965943 /nfs/dbraw/zinc/96/59/43/1017965943.db2.gz WEBNGICLPQDFLC-UHFFFAOYSA-N -1 0 315.293 -0.036 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)C[C@H]2CCCC(=O)N2)nn1 ZINC001602160894 1017966139 /nfs/dbraw/zinc/96/61/39/1017966139.db2.gz VKUKHXVFIJPWAL-SECBINFHSA-N -1 0 310.310 -0.493 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(C[C@@H]1C[C@@H]3COC[C@H]3O1)c2=O ZINC001602167450 1017968056 /nfs/dbraw/zinc/96/80/56/1017968056.db2.gz RRGVXBOEMXYAGW-WCABBAIRSA-N -1 0 320.305 -0.519 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)n1 ZINC001602166914 1017968290 /nfs/dbraw/zinc/96/82/90/1017968290.db2.gz MHRLUVITHAHTNJ-VIFPVBQESA-N -1 0 320.309 -0.152 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CCO[C@@H]1CCOC1)c2=O ZINC001602166917 1017969001 /nfs/dbraw/zinc/96/90/01/1017969001.db2.gz CRXHHCVPHYHWHR-SECBINFHSA-N -1 0 308.294 -0.517 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC[C@@H](CO)CC2CC2)cn1 ZINC001602164091 1017969160 /nfs/dbraw/zinc/96/91/60/1017969160.db2.gz QNMGYIILJTYBQZ-JTQLQIEISA-N -1 0 317.367 -0.345 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(C[C@@H]1CCC3(COC3)O1)c2=O ZINC001602167191 1017969260 /nfs/dbraw/zinc/96/92/60/1017969260.db2.gz HQWLLCBTCQZVGI-VIFPVBQESA-N -1 0 320.305 -0.374 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)n1 ZINC001602165188 1017969858 /nfs/dbraw/zinc/96/98/58/1017969858.db2.gz MHQJUHJUYNQIPU-OWUUHHOZSA-N -1 0 312.326 -0.246 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2CCn3ccnc32)cn1 ZINC001602164147 1017969957 /nfs/dbraw/zinc/96/99/57/1017969957.db2.gz SQPLBMBBNAVEND-VIFPVBQESA-N -1 0 311.323 -0.413 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)[C@@H]2COCCN2CC(F)F)n1 ZINC001602164528 1017970452 /nfs/dbraw/zinc/97/04/52/1017970452.db2.gz GGAQUAKRLNGSNX-QMMMGPOBSA-N -1 0 318.280 -0.128 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCN3C(=O)CC[C@@H]3C2)n1 ZINC001602165567 1017970677 /nfs/dbraw/zinc/97/06/77/1017970677.db2.gz ZFJZIWXYJRORBS-SECBINFHSA-N -1 0 307.310 -0.194 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCO[C@H](CCF)C2)cn1 ZINC001602163580 1017970853 /nfs/dbraw/zinc/97/08/53/1017970853.db2.gz RBDKLCQMRMRSKD-SECBINFHSA-N -1 0 321.330 -0.283 20 0 DBADRM O=C([O-])[C@@H](F)CNS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC001602170623 1017971440 /nfs/dbraw/zinc/97/14/40/1017971440.db2.gz KWFWLJNXKYOTBJ-QMMMGPOBSA-N -1 0 312.319 -0.918 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cccc2nc(CO)[nH]c21 ZINC001602192313 1017972109 /nfs/dbraw/zinc/97/21/09/1017972109.db2.gz VAVISYBTEULSMC-XCBNKYQSSA-N -1 0 305.290 -0.285 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC001602192345 1017972269 /nfs/dbraw/zinc/97/22/69/1017972269.db2.gz XGSBZGGFPWMZCI-UTUOFQBUSA-N -1 0 322.317 -0.091 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC[C@H]2CN3CCN2CC3)C1 ZINC001602181079 1017973379 /nfs/dbraw/zinc/97/33/79/1017973379.db2.gz YSLSYKDRANFDEX-WOPDTQHZSA-N -1 0 317.411 -0.841 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 ZINC001602191968 1017973721 /nfs/dbraw/zinc/97/37/21/1017973721.db2.gz XCCCFVJHLNLVKC-HBNTYKKESA-N -1 0 311.338 -0.508 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1ccc(-n2cnnn2)cn1 ZINC001602196714 1017973787 /nfs/dbraw/zinc/97/37/87/1017973787.db2.gz KVBMDMCXEWVNOZ-XVKPBYJWSA-N -1 0 306.257 -0.306 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCOC[C@H]2C[C@@H]2CCOC2)C(=O)O1 ZINC001602188087 1017974500 /nfs/dbraw/zinc/97/45/00/1017974500.db2.gz GSTVCSAHNXZMOR-TUAOUCFPSA-N -1 0 314.338 -0.023 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CC(=O)N(CC2CC2)C1 ZINC001602202303 1017975451 /nfs/dbraw/zinc/97/54/51/1017975451.db2.gz QQKUYVUIKIHNDV-ZYHUDNBSSA-N -1 0 311.338 -0.303 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CCN2CCOC[C@H]2C1 ZINC001602201080 1017975803 /nfs/dbraw/zinc/97/58/03/1017975803.db2.gz GZHIDHAHBHCIEC-IJLUTSLNSA-N -1 0 313.354 -0.798 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CN1C(=O)N[C@@H](C[C@@H]2CCCO2)C1=O ZINC001602202685 1017976172 /nfs/dbraw/zinc/97/61/72/1017976172.db2.gz YYNPQCKYGQEQQV-VPOLOUISSA-N -1 0 312.322 -0.034 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC001602201079 1017976274 /nfs/dbraw/zinc/97/62/74/1017976274.db2.gz GZHIDHAHBHCIEC-GRYCIOLGSA-N -1 0 313.354 -0.798 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]2C[C@H]21 ZINC001602197372 1017976469 /nfs/dbraw/zinc/97/64/69/1017976469.db2.gz BXXWUJKYGZMEMQ-YTWAJWBKSA-N -1 0 321.337 -0.596 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)C1([C@H]2CCCCO2)CCOCC1 ZINC001602208821 1017979767 /nfs/dbraw/zinc/97/97/67/1017979767.db2.gz CANFEWVPVSDBIQ-WDEREUQCSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)C1(C(=O)NC2CC2)CCC1 ZINC001602208578 1017980316 /nfs/dbraw/zinc/98/03/16/1017980316.db2.gz LIIVKEUXWTWSMX-NSHDSACASA-N -1 0 320.349 -0.030 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)ccn1 ZINC001602244254 1017980992 /nfs/dbraw/zinc/98/09/92/1017980992.db2.gz YWQLSQWGJJIWHM-VXGBXAGGSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1cc(C(=O)NCC2(O)CCS(=O)(=O)CC2)on1 ZINC001602247349 1017981982 /nfs/dbraw/zinc/98/19/82/1017981982.db2.gz ZIZZXWFMPDPCJS-UHFFFAOYSA-N -1 0 318.307 -0.958 20 0 DBADRM O=C([O-])c1c(F)cccc1S(=O)(=O)NCC1(CO)COC1 ZINC001602230671 1017983315 /nfs/dbraw/zinc/98/33/15/1017983315.db2.gz NJMRDMXWVAGYPJ-UHFFFAOYSA-N -1 0 319.310 -0.189 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H](O)[C@H]2CCCO2)c[nH]1 ZINC001602294679 1017983721 /nfs/dbraw/zinc/98/37/21/1017983721.db2.gz WTUWNWJVQZDDRS-NXEZZACHSA-N -1 0 304.324 -0.469 20 0 DBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)NCCOCCO)c1 ZINC001602274365 1017983914 /nfs/dbraw/zinc/98/39/14/1017983914.db2.gz LZNJIHRWHSHCFX-UHFFFAOYSA-N -1 0 307.299 -0.189 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@H](CO)[C@@H](CCO)C2)c[nH]1 ZINC001602288821 1017984404 /nfs/dbraw/zinc/98/44/04/1017984404.db2.gz KPNRISDKNDVYTB-DTWKUNHWSA-N -1 0 318.351 -0.676 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@H](c3nnc[nH]3)C2)on1 ZINC001602289796 1017984511 /nfs/dbraw/zinc/98/45/11/1017984511.db2.gz XNMIOIOWHIBBGL-LURJTMIESA-N -1 0 313.295 -0.331 20 0 DBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)N[C@H]2CCNC2=O)c1 ZINC001602275272 1017984685 /nfs/dbraw/zinc/98/46/85/1017984685.db2.gz YZGHNQLYXJHPRF-VIFPVBQESA-N -1 0 302.283 -0.309 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCc3ncncc3C2)n[nH]1 ZINC001602292465 1017986448 /nfs/dbraw/zinc/98/64/48/1017986448.db2.gz OPOGVEDPSSGCLG-UHFFFAOYSA-N -1 0 309.307 -0.355 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)cn1 ZINC001602318758 1017988769 /nfs/dbraw/zinc/98/87/69/1017988769.db2.gz OKAMTXDWNGDXNR-NEPJUHHUSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@H](CO)[C@H](O)c2cccnc2)[nH]1 ZINC001602320801 1017988899 /nfs/dbraw/zinc/98/88/99/1017988899.db2.gz LXFLXLYZDQGODB-VXGBXAGGSA-N -1 0 305.290 -0.068 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CCO[C@]3(CCCOC3)C2)n1 ZINC001602313526 1017988980 /nfs/dbraw/zinc/98/89/80/1017988980.db2.gz ORNIFKCLIVYISV-CQSZACIVSA-N -1 0 309.322 -0.220 20 0 DBADRM O=C([O-])c1ccc(CN2CCS(=O)(=O)C[C@@H]2CCO)o1 ZINC001602340895 1017991254 /nfs/dbraw/zinc/99/12/54/1017991254.db2.gz WNWRSQIAXIFSFL-VIFPVBQESA-N -1 0 303.336 -0.041 20 0 DBADRM O=C([O-])c1ccc(CN2CCN3[C@H](CNS3(=O)=O)C2)[nH]1 ZINC001602338770 1017991875 /nfs/dbraw/zinc/99/18/75/1017991875.db2.gz JJQZRFZOSNAWSG-SECBINFHSA-N -1 0 300.340 -0.953 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@]23COC(=O)N2CCOC3)[nH]1 ZINC001602321723 1017992103 /nfs/dbraw/zinc/99/21/03/1017992103.db2.gz IVSWRVWZYNQXHP-ZDUSSCGKSA-N -1 0 309.278 -0.336 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@H](O)[C@@H]2CCCO2)cn1 ZINC001602399715 1017992920 /nfs/dbraw/zinc/99/29/20/1017992920.db2.gz LGTILQVINDXWAP-QWRGUYRKSA-N -1 0 316.335 -0.402 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCO[C@H]2CCOC2)cn1 ZINC001602399248 1017994511 /nfs/dbraw/zinc/99/45/11/1017994511.db2.gz XWFVTLKKYJISFN-VIFPVBQESA-N -1 0 316.335 -0.136 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)cn1 ZINC001602399975 1017995174 /nfs/dbraw/zinc/99/51/74/1017995174.db2.gz IWBHLRBGXHNCDW-SSDOTTSWSA-N -1 0 314.241 -0.019 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCC(O)(CO)CC2)cn1 ZINC001602395335 1017995782 /nfs/dbraw/zinc/99/57/82/1017995782.db2.gz ZVANSOCTTUUZBR-UHFFFAOYSA-N -1 0 316.335 -0.712 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@]2(O)CCSC2)cn1 ZINC001602400417 1017996841 /nfs/dbraw/zinc/99/68/41/1017996841.db2.gz VJYXEZQVXROETJ-LLVKDONJSA-N -1 0 318.376 -0.074 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCO[C@@H]3COCC[C@@H]32)c1=O ZINC001602476616 1017997531 /nfs/dbraw/zinc/99/75/31/1017997531.db2.gz UQPDNLKRDDONRK-NWDGAFQWSA-N -1 0 322.317 -0.437 20 0 DBADRM O=C([O-])c1cccc2c1OCCN(C(=O)Cn1cnnn1)C2 ZINC001602460727 1017999356 /nfs/dbraw/zinc/99/93/56/1017999356.db2.gz QVAVRYMBSSPREE-UHFFFAOYSA-N -1 0 303.278 -0.208 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCc3ncncc3C2)c1=O ZINC001602476681 1017999867 /nfs/dbraw/zinc/99/98/67/1017999867.db2.gz VUWKDFMJTFSDTA-UHFFFAOYSA-N -1 0 314.301 -0.079 20 0 DBADRM O=C([O-])c1ccccc1C(=O)N[C@H](CO)CN1CCOCC1 ZINC001602463939 1018000014 /nfs/dbraw/zinc/00/00/14/1018000014.db2.gz VBPXTPDGDRCBFB-NSHDSACASA-N -1 0 308.334 -0.192 20 0 DBADRM O=C([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCOC[C@H]1O ZINC001602470939 1018000983 /nfs/dbraw/zinc/00/09/83/1018000983.db2.gz QSNVWUXSFHVYHM-VXGBXAGGSA-N -1 0 315.347 -0.046 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCC[C@H]2C(=O)NC2CC2)n1 ZINC001602477309 1018001230 /nfs/dbraw/zinc/00/12/30/1018001230.db2.gz MSHPZLPYDSQZNR-NSHDSACASA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)CNC(=O)C3CC3)CC2)nn1 ZINC001602492675 1018001423 /nfs/dbraw/zinc/00/14/23/1018001423.db2.gz JKAJRRFCRQIABL-UHFFFAOYSA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])c1ccnc(C(=O)NCc2nnc3n2CCOC3)c1 ZINC001602482374 1018001659 /nfs/dbraw/zinc/00/16/59/1018001659.db2.gz WHNSJIUTQCRNEW-UHFFFAOYSA-N -1 0 303.278 -0.169 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N2CCOC[C@@H]2CCO)n1 ZINC001602478703 1018001915 /nfs/dbraw/zinc/00/19/15/1018001915.db2.gz MGTJQJQVEUAKLV-NSHDSACASA-N -1 0 311.338 -0.029 20 0 DBADRM O=C([O-])c1ccnc(C(=O)NC[C@@]2(OCCO)CCOC2)c1 ZINC001602479239 1018002241 /nfs/dbraw/zinc/00/22/41/1018002241.db2.gz OIBWGPHMFCIAGX-AWEZNQCLSA-N -1 0 310.306 -0.322 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N2CCC(O)(CO)CC2)n1 ZINC001602478867 1018002634 /nfs/dbraw/zinc/00/26/34/1018002634.db2.gz UFBWIINIEURRDA-UHFFFAOYSA-N -1 0 311.338 -0.293 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC001602489025 1018003006 /nfs/dbraw/zinc/00/30/06/1018003006.db2.gz PKNKVECSYKVCBF-ZETCQYMHSA-N -1 0 323.348 -0.167 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)NCCn3ccnc3)C2)nn1 ZINC001602497680 1018004446 /nfs/dbraw/zinc/00/44/46/1018004446.db2.gz BAZFMXHVJRBHDU-SNVBAGLBSA-N -1 0 319.325 -0.171 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)c3ccc[n+]([O-])c3)C2)nn1 ZINC001602497959 1018004590 /nfs/dbraw/zinc/00/45/90/1018004590.db2.gz FJGPSKNMXBRGHH-SNVBAGLBSA-N -1 0 303.278 -0.303 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2C[C@H](O)Cc3ccccc32)nn1 ZINC001602501857 1018005014 /nfs/dbraw/zinc/00/50/14/1018005014.db2.gz YEXKFUKKTYSJIN-SNVBAGLBSA-N -1 0 302.290 -0.074 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)[C@H]3CCNC3=O)C2)nn1 ZINC001602493930 1018005082 /nfs/dbraw/zinc/00/50/82/1018005082.db2.gz OFCWHSKMDNOPNE-BDAKNGLRSA-N -1 0 307.310 -0.724 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(CN3C(=O)[C@@H]4CC[C@@H]4C3=O)C2)nn1 ZINC001602499068 1018005394 /nfs/dbraw/zinc/00/53/94/1018005394.db2.gz QVYSWKFFZXYQMT-BBBLOLIVSA-N -1 0 319.321 -0.424 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)[C@H]3CCNC3=O)CC2)nn1 ZINC001602493491 1018006130 /nfs/dbraw/zinc/00/61/30/1018006130.db2.gz VPIVTLFLKZIWSS-VIFPVBQESA-N -1 0 307.310 -0.724 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CCc3ncccn3)C2)nn1 ZINC001602502003 1018006923 /nfs/dbraw/zinc/00/69/23/1018006923.db2.gz ODYVHZPSXSUWSZ-UHFFFAOYSA-N -1 0 302.294 -0.218 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@H](N3CCC3)[C@H](F)C2)nn1 ZINC001602502501 1018007454 /nfs/dbraw/zinc/00/74/54/1018007454.db2.gz DFIWJSWKPAKSCR-KOLCDFICSA-N -1 0 311.317 -0.379 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCOCC(F)(F)C2)nn1 ZINC001602503537 1018007659 /nfs/dbraw/zinc/00/76/59/1018007659.db2.gz KJDIUUFCBZMHPO-UHFFFAOYSA-N -1 0 319.268 -0.347 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCOC3(CCC3)C2)nn1 ZINC001602503831 1018007831 /nfs/dbraw/zinc/00/78/31/1018007831.db2.gz WXXVOOWPATTZJT-UHFFFAOYSA-N -1 0 309.326 -0.059 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2C[C@H](O)CC(F)(F)C2)nn1 ZINC001602503853 1018009039 /nfs/dbraw/zinc/00/90/39/1018009039.db2.gz XJECVECONDWILR-SSDOTTSWSA-N -1 0 319.268 -0.612 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCN(c3ncns3)CC2)nn1 ZINC001602504444 1018009610 /nfs/dbraw/zinc/00/96/10/1018009610.db2.gz QYRUDKLJYVFARU-UHFFFAOYSA-N -1 0 323.338 -0.823 20 0 DBADRM O=C([O-])c1cnc(C(=O)NC2CN(c3ccncn3)C2)cn1 ZINC001602507297 1018010614 /nfs/dbraw/zinc/01/06/14/1018010614.db2.gz AHDQKOMKAZJSKJ-UHFFFAOYSA-N -1 0 300.278 -0.417 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCN(c3ncns3)CC2)cn1 ZINC001602507551 1018010891 /nfs/dbraw/zinc/01/08/91/1018010891.db2.gz LTZTVLFTWADERF-UHFFFAOYSA-N -1 0 320.334 -0.011 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCC[C@]1(O)CCCOC1 ZINC001602507082 1018010911 /nfs/dbraw/zinc/01/09/11/1018010911.db2.gz YDLVBLCWIWDYNO-LLVKDONJSA-N -1 0 319.339 -0.682 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](NC(=O)c2nnc[nH]2)C2CC2)nc1 ZINC001602530230 1018012999 /nfs/dbraw/zinc/01/29/99/1018012999.db2.gz NFGASLVJOVEXQM-SECBINFHSA-N -1 0 317.309 -0.087 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)nc1 ZINC001602527850 1018013150 /nfs/dbraw/zinc/01/31/50/1018013150.db2.gz LEVSBUNMQWHLKT-SCZZXKLOSA-N -1 0 319.277 -0.858 20 0 DBADRM O=C([O-])c1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnon2)nc1 ZINC001602527950 1018013529 /nfs/dbraw/zinc/01/35/29/1018013529.db2.gz DZZIFFBYQMOUIP-MBTKJCJQSA-N -1 0 316.277 -0.578 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)c3cnccn3)C2)nc1 ZINC001602524686 1018013668 /nfs/dbraw/zinc/01/36/68/1018013668.db2.gz FVNRDVKDKOOTLX-SNVBAGLBSA-N -1 0 314.305 -0.027 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCC[C@H](N3CCNC3=O)C2)c1 ZINC001602544274 1018014956 /nfs/dbraw/zinc/01/49/56/1018014956.db2.gz IZMAXAUQQMPKDY-NSHDSACASA-N -1 0 321.337 -0.403 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC001602544273 1018015271 /nfs/dbraw/zinc/01/52/71/1018015271.db2.gz IZMAXAUQQMPKDY-LLVKDONJSA-N -1 0 321.337 -0.403 20 0 DBADRM O=C([O-])c1coc(C(=O)NC[C@]23COCCN2C(=O)COC3)c1 ZINC001602549707 1018015286 /nfs/dbraw/zinc/01/52/86/1018015286.db2.gz VPKVDBAZVLRXNH-CQSZACIVSA-N -1 0 324.289 -0.665 20 0 DBADRM O=C([O-])c1cnccc1C(=O)OCCN1CCCS1(=O)=O ZINC001602546387 1018015804 /nfs/dbraw/zinc/01/58/04/1018015804.db2.gz PZLOLMSFINZTBK-UHFFFAOYSA-N -1 0 314.319 -0.028 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N2CC[C@@H](O)[C@H](F)C2)c1 ZINC001602542337 1018017161 /nfs/dbraw/zinc/01/71/61/1018017161.db2.gz UKAQWCWRKSFOFC-NXEZZACHSA-N -1 0 304.299 -0.127 20 0 DBADRM O=C([O-])c1nccc(N2CCN(C(=O)c3cnon3)CC2)n1 ZINC001602571982 1018017895 /nfs/dbraw/zinc/01/78/95/1018017895.db2.gz OENWRPXKUQCQOI-UHFFFAOYSA-N -1 0 304.266 -0.480 20 0 DBADRM O=C([O-])c1nccc(N2CCN(C(=O)c3nc[nH]n3)CC2)n1 ZINC001602572473 1018018079 /nfs/dbraw/zinc/01/80/79/1018018079.db2.gz WTGALBCNGUDLLA-UHFFFAOYSA-N -1 0 303.282 -0.745 20 0 DBADRM O=C([O-])c1nc(C(=O)N2C[C@@H](CO)[C@H](CCO)C2)cs1 ZINC001602567409 1018018189 /nfs/dbraw/zinc/01/81/89/1018018189.db2.gz IPPBOJBIYOEPMR-SFYZADRCSA-N -1 0 300.336 -0.096 20 0 DBADRM O=C([O-])c1coc(CN2CCN3[C@@H](CNS3(=O)=O)C2)c1 ZINC001602551809 1018018301 /nfs/dbraw/zinc/01/83/01/1018018301.db2.gz SCYRLPRQSUVCJD-VIFPVBQESA-N -1 0 301.324 -0.688 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC001602573579 1018018509 /nfs/dbraw/zinc/01/85/09/1018018509.db2.gz QTYJCZZSHITROP-BBBLOLIVSA-N -1 0 306.322 -0.308 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)C2CCC(O)CC2)n1 ZINC001602573122 1018018915 /nfs/dbraw/zinc/01/89/15/1018018915.db2.gz IEFRVHJJIHSVCE-UHFFFAOYSA-N -1 0 308.338 -0.324 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2CCN3C(=O)CC[C@H]3C2)c1 ZINC001602558187 1018018931 /nfs/dbraw/zinc/01/89/31/1018018931.db2.gz IFNUTMQOQQOOBY-VIFPVBQESA-N -1 0 314.319 -0.027 20 0 DBADRM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)NCCOCCO ZINC001602568548 1018018950 /nfs/dbraw/zinc/01/89/50/1018018950.db2.gz MWCGIOFAQDYESR-UHFFFAOYSA-N -1 0 324.742 -0.280 20 0 DBADRM O=C([O-])c1nc(N[C@@H]2C[C@@H](CNC(=O)c3nnc[n-]3)C2)cc[nH+]1 ZINC001602576539 1018020154 /nfs/dbraw/zinc/02/01/54/1018020154.db2.gz ICDBRUNXUIDUSJ-ZKCHVHJHSA-N -1 0 317.309 -0.665 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)[C@@H]2CC23CC3)n1 ZINC001602575319 1018020237 /nfs/dbraw/zinc/02/02/37/1018020237.db2.gz ZYUMCUWVEXFEPT-IUCAKERBSA-N -1 0 306.322 -0.714 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)c2ccc[nH]2)n1 ZINC001602575231 1018020499 /nfs/dbraw/zinc/02/04/99/1018020499.db2.gz XQZDNGVKDLAQMB-QMMMGPOBSA-N -1 0 305.294 -0.872 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)c2cccs2)n1 ZINC001602574798 1018020679 /nfs/dbraw/zinc/02/06/79/1018020679.db2.gz MWTJKGVSJVJLFL-QMMMGPOBSA-N -1 0 322.346 -0.139 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NC[C@H](O)C(F)(F)F ZINC001602576962 1018020836 /nfs/dbraw/zinc/02/08/36/1018020836.db2.gz CYQYLGRETHPZGR-LURJTMIESA-N -1 0 314.241 -0.019 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](NC(=O)[C@H]2CCOC2)C2CC2)n1 ZINC001602575493 1018021020 /nfs/dbraw/zinc/02/10/20/1018021020.db2.gz ZASFFLWWIRSNHG-QWRGUYRKSA-N -1 0 320.349 -0.060 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)C3=CCOCC3)C2)n1 ZINC001602575085 1018021238 /nfs/dbraw/zinc/02/12/38/1018021238.db2.gz REBZVWLFQZFQMA-LLVKDONJSA-N -1 0 318.333 -0.044 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)c2cccs2)n1 ZINC001602574797 1018021251 /nfs/dbraw/zinc/02/12/51/1018021251.db2.gz MWTJKGVSJVJLFL-MRVPVSSYSA-N -1 0 322.346 -0.139 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)c3cnco3)C2)n1 ZINC001602574272 1018021320 /nfs/dbraw/zinc/02/13/20/1018021320.db2.gz GUTZYVKTSIVGMO-MRVPVSSYSA-N -1 0 303.278 -0.089 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)n1 ZINC001602575065 1018021400 /nfs/dbraw/zinc/02/14/00/1018021400.db2.gz QYLSUMCXOURWEH-YHAQOWFVSA-N -1 0 318.333 -0.354 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001602577149 1018021655 /nfs/dbraw/zinc/02/16/55/1018021655.db2.gz GPVIACYKHVUDDK-RKDXNWHRSA-N -1 0 316.335 -0.856 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)c2cccc(=O)[nH]2)n1 ZINC001602573898 1018021855 /nfs/dbraw/zinc/02/18/55/1018021855.db2.gz VYBUQOFCTGEIAN-UHFFFAOYSA-N -1 0 303.278 -0.461 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1CC[C@H](O)[C@H](F)C1 ZINC001602587266 1018022805 /nfs/dbraw/zinc/02/28/05/1018022805.db2.gz JFLAYIDJXFZURA-RITPCOANSA-N -1 0 310.328 -0.065 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NCC[C@@]1(O)CCOC1 ZINC001602589290 1018022820 /nfs/dbraw/zinc/02/28/20/1018022820.db2.gz XXRFGVBOLZUEJP-SNVBAGLBSA-N -1 0 322.364 -0.339 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC001602579321 1018023014 /nfs/dbraw/zinc/02/30/14/1018023014.db2.gz QQRLOGBWFRBBMW-HTQZYQBOSA-N -1 0 302.308 -0.792 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CC[C@](F)(CO)C1 ZINC001602585482 1018023925 /nfs/dbraw/zinc/02/39/25/1018023925.db2.gz VEQMENNJWVPKBH-GFCCVEGCSA-N -1 0 302.258 -0.178 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC001602622540 1018024642 /nfs/dbraw/zinc/02/46/42/1018024642.db2.gz XXKUSYUYYFKYGX-XHSYRHOGSA-N -1 0 317.363 -0.610 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cc(N3CCOCC3)ccn2)C1 ZINC001602622624 1018025149 /nfs/dbraw/zinc/02/51/49/1018025149.db2.gz DBKFTYUNUABZTD-HNNXBMFYSA-N -1 0 321.333 -0.420 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cccnc2-n2cccn2)C1 ZINC001602628691 1018026120 /nfs/dbraw/zinc/02/61/20/1018026120.db2.gz MFTIIZLBUSJLSN-AWEZNQCLSA-N -1 0 302.290 -0.071 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)c3cc[nH]c(=O)c3)CC2)CCOC1 ZINC001602623577 1018026219 /nfs/dbraw/zinc/02/62/19/1018026219.db2.gz HKOZZPBNXMPXDU-HNNXBMFYSA-N -1 0 321.333 -0.211 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)c3ccc[n+]([O-])c3)CC2)CCOC1 ZINC001602625816 1018026511 /nfs/dbraw/zinc/02/65/11/1018026511.db2.gz AIJXGRWEHSMWOS-HNNXBMFYSA-N -1 0 321.333 -0.679 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(C(=O)[C@@H]1CCNC(=O)C1)CC2 ZINC001602632282 1018027282 /nfs/dbraw/zinc/02/72/82/1018027282.db2.gz MDJUWVCSVNZQHY-SECBINFHSA-N -1 0 309.322 -0.265 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2csc(-c3ncccn3)n2)C1 ZINC001602630602 1018027914 /nfs/dbraw/zinc/02/79/14/1018027914.db2.gz UVQZFGFAWOHIQC-UHFFFAOYSA-N -1 0 306.303 -0.128 20 0 DBADRM O=C(C[C@@H]1CC(=O)NC1=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC001602633718 1018028467 /nfs/dbraw/zinc/02/84/67/1018028467.db2.gz MZNWHHAVNYFTKB-NXEZZACHSA-N -1 0 312.322 -0.575 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC001602635576 1018028640 /nfs/dbraw/zinc/02/86/40/1018028640.db2.gz HXDWQVNQHWCBCX-VIFPVBQESA-N -1 0 302.352 -0.466 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)N2)C[C@H]1c1ccc(O)cc1 ZINC001602633094 1018028694 /nfs/dbraw/zinc/02/86/94/1018028694.db2.gz UTOFIMGOILLRBB-QJPTWQEYSA-N -1 0 304.302 -0.093 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)nn1 ZINC001602642808 1018029264 /nfs/dbraw/zinc/02/92/64/1018029264.db2.gz NYNRWINSVZCXTC-BDAKNGLRSA-N -1 0 307.310 -0.724 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)C2)nn1 ZINC001602640736 1018029532 /nfs/dbraw/zinc/02/95/32/1018029532.db2.gz UDROAEJQBHDMBG-BDAKNGLRSA-N -1 0 307.310 -0.582 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N[C@@H]1CCNC(=O)CC1 ZINC001602638673 1018030137 /nfs/dbraw/zinc/03/01/37/1018030137.db2.gz IVIVKIUKVXEEBL-QMMMGPOBSA-N -1 0 311.294 -0.326 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@H]1CCNC(=O)CC1 ZINC001602640804 1018030159 /nfs/dbraw/zinc/03/01/59/1018030159.db2.gz VQTSRVKMGVLOMQ-NXEZZACHSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCCN1CCNC(=O)C1 ZINC001602650337 1018031487 /nfs/dbraw/zinc/03/14/87/1018031487.db2.gz KJDWXGWRWDMZBM-NWDGAFQWSA-N -1 0 311.382 -0.185 20 0 DBADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCC(=O)NCC23COC3)C1 ZINC001602644990 1018032250 /nfs/dbraw/zinc/03/22/50/1018032250.db2.gz SSPRVXARQLRZNQ-MNOVXSKESA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCC(=O)NC1=O)c1ccccn1 ZINC001602647067 1018033045 /nfs/dbraw/zinc/03/30/45/1018033045.db2.gz WHSCRGDUMVLUKB-LLVKDONJSA-N -1 0 306.278 -0.735 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001602652476 1018033426 /nfs/dbraw/zinc/03/34/26/1018033426.db2.gz QGCQAPULMZLIQO-BDAKNGLRSA-N -1 0 320.301 -0.075 20 0 DBADRM O=C([O-])C1(C(=O)NCCN2CCNC(=O)C2)CC2(CCC2)C1 ZINC001602650444 1018033487 /nfs/dbraw/zinc/03/34/87/1018033487.db2.gz PBBICRMKKIPELZ-UHFFFAOYSA-N -1 0 309.366 -0.431 20 0 DBADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cn1 ZINC001602651399 1018033646 /nfs/dbraw/zinc/03/36/46/1018033646.db2.gz FRQNBQQKEOVJLZ-GHMZBOCLSA-N -1 0 320.305 -0.099 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001602653343 1018034173 /nfs/dbraw/zinc/03/41/73/1018034173.db2.gz POOLXJLFSQKTCD-JGVFFNPUSA-N -1 0 305.290 -0.516 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N[C@]23CC(=O)N[C@H]2CCCC3)n1 ZINC001602653306 1018034247 /nfs/dbraw/zinc/03/42/47/1018034247.db2.gz OXVVFDXMZSELDD-IINYFYTJSA-N -1 0 306.322 -0.101 20 0 DBADRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)CCCN1C(=O)CNC1=O ZINC001602651208 1018035075 /nfs/dbraw/zinc/03/50/75/1018035075.db2.gz ARGUBKBOMXCZRN-OTYXRUKQSA-N -1 0 309.322 -0.216 20 0 DBADRM O=C([O-])c1coc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC001602655456 1018036013 /nfs/dbraw/zinc/03/60/13/1018036013.db2.gz PYXDXWQBRPUZPX-ZDUSSCGKSA-N -1 0 307.262 -0.208 20 0 DBADRM O=C([O-])[C@@H](Cc1ccc(F)cc1)OC(=O)C[C@@H]1NC(=O)NC1=O ZINC001602655572 1018036979 /nfs/dbraw/zinc/03/69/79/1018036979.db2.gz FAXYNCAIAODULR-VHSXEESVSA-N -1 0 324.264 -0.037 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC001602655795 1018037273 /nfs/dbraw/zinc/03/72/73/1018037273.db2.gz WIFYLTXFVMJAOD-AWEZNQCLSA-N -1 0 318.289 -0.406 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1COC(=O)N1)c1ccc2c(c1)CCO2 ZINC001602659152 1018038601 /nfs/dbraw/zinc/03/86/01/1018038601.db2.gz MYEHOCJAKZVVKK-GXSJLCMTSA-N -1 0 306.274 -0.028 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CC2(C1)CNC(=O)O2 ZINC001602660224 1018038886 /nfs/dbraw/zinc/03/88/86/1018038886.db2.gz XROBEXHPVBADBF-UHFFFAOYSA-N -1 0 319.320 -0.676 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCC3(CNC(=O)O3)CC2)n1 ZINC001602657222 1018039088 /nfs/dbraw/zinc/03/90/88/1018039088.db2.gz CJXUAKWQHZPMPQ-UHFFFAOYSA-N -1 0 308.294 -0.318 20 0 DBADRM O=C([O-])C1(C2(O)CCN(C(=O)[C@H]3COC(=O)N3)CC2)CCC1 ZINC001602658811 1018039270 /nfs/dbraw/zinc/03/92/70/1018039270.db2.gz XRJCEDSHWVOFHJ-SECBINFHSA-N -1 0 312.322 -0.297 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(c3nnnn3CCC[C@@H]3CCOC3=O)C[C@@H]21 ZINC001602660742 1018039324 /nfs/dbraw/zinc/03/93/24/1018039324.db2.gz GRPMFSUIZDBHQB-ZNSHCXBVSA-N -1 0 321.337 -0.217 20 0 DBADRM O=C([O-])[C@H]1Cc2ccc(O)cc2CN1C(=O)[C@H]1CCNC1=O ZINC001602658139 1018039335 /nfs/dbraw/zinc/03/93/35/1018039335.db2.gz IZCIHEROVSGUHT-NWDGAFQWSA-N -1 0 304.302 -0.134 20 0 DBADRM O=C([O-])C1([C@]2(O)CCCN(C(=O)[C@@H]3CCNC3=O)C2)CCC1 ZINC001602657956 1018039399 /nfs/dbraw/zinc/03/93/99/1018039399.db2.gz FDHAWQRBDVNWNR-BMIGLBTASA-N -1 0 310.350 -0.269 20 0 DBADRM O=CN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001602663532 1018039597 /nfs/dbraw/zinc/03/95/97/1018039597.db2.gz VOURFVONMJGBAP-UHFFFAOYSA-N -1 0 303.296 -0.774 20 0 DBADRM O=Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])co1 ZINC001602664630 1018040463 /nfs/dbraw/zinc/04/04/63/1018040463.db2.gz UMQXVRRSRDIYLF-VIFPVBQESA-N -1 0 315.303 -0.194 20 0 DBADRM O=Cc1cncc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1 ZINC001602669124 1018040559 /nfs/dbraw/zinc/04/05/59/1018040559.db2.gz APTGRXLDAOFCGU-LLVKDONJSA-N -1 0 305.290 -0.301 20 0 DBADRM CC(=O)N1CCC(NC(=O)CNc2ccn(CC(=O)[O-])n2)CC1 ZINC001602744457 1018056235 /nfs/dbraw/zinc/05/62/35/1018056235.db2.gz WBHHQXYOXSYWDR-UHFFFAOYSA-N -1 0 323.353 -0.493 20 0 DBADRM CC(=O)N1C[C@H](C(=O)OCC(=O)C(=O)[O-])Oc2ccccc21 ZINC001602744336 1018057128 /nfs/dbraw/zinc/05/71/28/1018057128.db2.gz PBIQZQWOSOSJIG-GFCCVEGCSA-N -1 0 307.258 -0.003 20 0 DBADRM CC(=O)N(C)C1CCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC001602740788 1018057349 /nfs/dbraw/zinc/05/73/49/1018057349.db2.gz WYAHVXYQZCCRTQ-UHFFFAOYSA-N -1 0 309.326 -0.554 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001602751382 1018057787 /nfs/dbraw/zinc/05/77/87/1018057787.db2.gz WBOSXSHNUURYOH-ZETCQYMHSA-N -1 0 301.343 -0.615 20 0 DBADRM CC(=O)N1CC[C@@H](CN(C)C(=O)NCCOCC(=O)[O-])C1 ZINC001602743962 1018057823 /nfs/dbraw/zinc/05/78/23/1018057823.db2.gz AFNKKJDAOFJSJM-NSHDSACASA-N -1 0 301.343 -0.403 20 0 DBADRM CC(=O)N1CCC(CNC(=O)C(=O)N(C)CCC(=O)[O-])CC1 ZINC001602744409 1018058239 /nfs/dbraw/zinc/05/82/39/1018058239.db2.gz SRMIHGOUSKOAQX-UHFFFAOYSA-N -1 0 313.354 -0.706 20 0 DBADRM CC(=O)NCCN(C(=O)C(=O)[O-])[C@H](C)C(=O)OC(C)(C)C ZINC001602753480 1018060062 /nfs/dbraw/zinc/06/00/62/1018060062.db2.gz RQRTYQXNZGDWLG-MRVPVSSYSA-N -1 0 302.327 -0.234 20 0 DBADRM CC(=O)NCCN(C(=O)C(=O)OC(C)(C)C)[C@@H](C)C(=O)[O-] ZINC001602754167 1018060578 /nfs/dbraw/zinc/06/05/78/1018060578.db2.gz ZJBPWNUSYZWRNX-QMMMGPOBSA-N -1 0 302.327 -0.234 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C\Cn1cncn1)[C@H](C)C(=O)[O-] ZINC001602753907 1018061477 /nfs/dbraw/zinc/06/14/77/1018061477.db2.gz VKGVCOLBLSJGMQ-UMBAGQNISA-N -1 0 309.326 -0.728 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 ZINC001602797999 1018065252 /nfs/dbraw/zinc/06/52/52/1018065252.db2.gz ZBYCWNFSVCWUDA-LLVKDONJSA-N -1 0 312.370 -0.781 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001602800504 1018065638 /nfs/dbraw/zinc/06/56/38/1018065638.db2.gz DLVUQOFYUPYOFU-AUTRQRHGSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 ZINC001602802071 1018065656 /nfs/dbraw/zinc/06/56/56/1018065656.db2.gz PORGKSXCWAKOGT-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)COCC(=O)[O-] ZINC001602871741 1018071858 /nfs/dbraw/zinc/07/18/58/1018071858.db2.gz RHPVISLNKYXROB-QMMMGPOBSA-N -1 0 304.368 -0.096 20 0 DBADRM CC(C)(C)N1C[C@@H](CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1=O ZINC001602868077 1018072354 /nfs/dbraw/zinc/07/23/54/1018072354.db2.gz DOBIDEQMLCORMC-PSASIEDQSA-N -1 0 311.338 -0.021 20 0 DBADRM C=CS(=O)(=O)CCC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001602940138 1018082698 /nfs/dbraw/zinc/08/26/98/1018082698.db2.gz JLOYIIPAVGDTDG-NSHDSACASA-N -1 0 318.395 -0.058 20 0 DBADRM CC(C)(O)C1CN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC001602955028 1018084592 /nfs/dbraw/zinc/08/45/92/1018084592.db2.gz VCMREJXVKYAPMT-JTQLQIEISA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)C(=O)NCCN(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001602959118 1018085405 /nfs/dbraw/zinc/08/54/05/1018085405.db2.gz IUCSFJDFDCTCFJ-JTQLQIEISA-N -1 0 321.399 -0.516 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC001602966093 1018086088 /nfs/dbraw/zinc/08/60/88/1018086088.db2.gz TXUFXSWADKEYCT-ZJUUUORDSA-N -1 0 306.384 -0.130 20 0 DBADRM C/C(=C/CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)C(=O)[O-] ZINC001602962627 1018087175 /nfs/dbraw/zinc/08/71/75/1018087175.db2.gz LWLGMGPGROCLHB-WAPJZHGLSA-N -1 0 316.335 -0.484 20 0 DBADRM CC(=O)OC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001602958132 1018087480 /nfs/dbraw/zinc/08/74/80/1018087480.db2.gz LWPRTNYZFAMAFK-SECBINFHSA-N -1 0 321.293 -0.774 20 0 DBADRM C/C(=C\CNC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC001602971735 1018088924 /nfs/dbraw/zinc/08/89/24/1018088924.db2.gz CYNSNSAWQXMERA-PRZVWEGYSA-N -1 0 313.354 -0.048 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O ZINC001602970840 1018089492 /nfs/dbraw/zinc/08/94/92/1018089492.db2.gz WLUSMGZGPJPMFC-GXSJLCMTSA-N -1 0 314.338 -0.247 20 0 DBADRM C[C@H](C(=O)N(C)C[C@H](O)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001602988603 1018090261 /nfs/dbraw/zinc/09/02/61/1018090261.db2.gz LRKZPVCYKBXLSU-APPZFPTMSA-N -1 0 306.330 -0.752 20 0 DBADRM C[C@@H](C(=O)N1CCO[C@@H](CCF)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001603003136 1018093119 /nfs/dbraw/zinc/09/31/19/1018093119.db2.gz CQMIYWWXFJNYIB-IUCAKERBSA-N -1 0 324.320 -0.394 20 0 DBADRM C[C@@H](C(=O)NC1CCC(CO)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603007346 1018093646 /nfs/dbraw/zinc/09/36/46/1018093646.db2.gz BDNLYXDWCZVUCU-IDKOKCKLSA-N -1 0 320.357 -0.314 20 0 DBADRM CN(C)C(=O)CCCC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001499418411 1018094596 /nfs/dbraw/zinc/09/45/96/1018094596.db2.gz ADTAKRHJYYUMBW-UHFFFAOYSA-N -1 0 324.385 -0.493 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@](C)(O)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001602999236 1018094799 /nfs/dbraw/zinc/09/47/99/1018094799.db2.gz FVYJZHVUIBSRIG-UFBFGSQYSA-N -1 0 306.330 -0.607 20 0 DBADRM C[C@H](C(=O)N1CCCCC[C@H]1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001602998688 1018095239 /nfs/dbraw/zinc/09/52/39/1018095239.db2.gz VRZIHQYHZHJZEV-ZJUUUORDSA-N -1 0 320.357 -0.217 20 0 DBADRM CC(C)[C@@](C)(NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(N)=O ZINC001603004891 1018095287 /nfs/dbraw/zinc/09/52/87/1018095287.db2.gz IAYHKYLKHNQZMP-JMCQJSRRSA-N -1 0 321.345 -0.965 20 0 DBADRM C[C@@H](C(=O)N(C)c1ccnn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001602991745 1018095618 /nfs/dbraw/zinc/09/56/18/1018095618.db2.gz WOILABIVIPASMC-ZETCQYMHSA-N -1 0 302.302 -0.584 20 0 DBADRM C[C@H](C(=O)N1Cc2cncnc2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001603004861 1018095770 /nfs/dbraw/zinc/09/57/70/1018095770.db2.gz HMMCQFYCKLHOBS-SSDOTTSWSA-N -1 0 312.297 -0.648 20 0 DBADRM C[C@@H](C(=O)NCCc1ccn(C)n1)n1cnc(-c2nnn[n-]2)n1 ZINC001603015756 1018097672 /nfs/dbraw/zinc/09/76/72/1018097672.db2.gz BQZRCOVGXBNNCW-QMMMGPOBSA-N -1 0 316.329 -0.888 20 0 DBADRM CC(C)C[C@@H](CO)N(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001603018113 1018098057 /nfs/dbraw/zinc/09/80/57/1018098057.db2.gz MEZIFXWMKBBHJG-MNOVXSKESA-N -1 0 300.355 -0.215 20 0 DBADRM CC(=O)N1CCC(NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1 ZINC001603018744 1018098494 /nfs/dbraw/zinc/09/84/94/1018098494.db2.gz CRVFJMDBZHXRKQ-UHFFFAOYSA-N -1 0 316.339 -0.603 20 0 DBADRM C[C@H](C(=O)NCCc1ncc[nH]1)n1cnc(-c2nnn[n-]2)n1 ZINC001603017541 1018098579 /nfs/dbraw/zinc/09/85/79/1018098579.db2.gz VJAABSZAVQHFCT-SSDOTTSWSA-N -1 0 302.302 -0.899 20 0 DBADRM C[C@@H](C(=O)NC[C@@]1(C)CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603012696 1018100894 /nfs/dbraw/zinc/10/08/94/1018100894.db2.gz NNNAVTRDAFFUND-QPUJVOFHSA-N -1 0 306.330 -0.438 20 0 DBADRM C[C@H](C(=O)O[C@@H]1C(=O)OCC1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001603031357 1018102482 /nfs/dbraw/zinc/10/24/82/1018102482.db2.gz DLYGOLGDEXKEMK-RNFRBKRXSA-N -1 0 321.297 -0.486 20 0 DBADRM CC(=O)N1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)C1 ZINC001603025939 1018103417 /nfs/dbraw/zinc/10/34/17/1018103417.db2.gz LUXMURFHZKEPRR-VXGBXAGGSA-N -1 0 310.350 -0.053 20 0 DBADRM CC(=O)N1C[C@@H]2CN(S(=O)(=O)C[C@H](C)C(=O)[O-])C[C@@H]2C1 ZINC001603030281 1018103520 /nfs/dbraw/zinc/10/35/20/1018103520.db2.gz BXQKGWRLVJXODR-INTQDDNPSA-N -1 0 304.368 -0.553 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[C@H](O)C(=O)[O-] ZINC001603031253 1018103795 /nfs/dbraw/zinc/10/37/95/1018103795.db2.gz FVQSNZDSGOYVRH-KGLIPLIRSA-N -1 0 320.345 -0.088 20 0 DBADRM C[C@H](C(=O)OCC1CCOCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603031940 1018103985 /nfs/dbraw/zinc/10/39/85/1018103985.db2.gz LZQSURDYONZIJD-MRVPVSSYSA-N -1 0 307.314 -0.011 20 0 DBADRM C[C@@H](C(=O)NCc1cncc(F)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001603019943 1018104429 /nfs/dbraw/zinc/10/44/29/1018104429.db2.gz VIPFVVFRYUCJSW-ZETCQYMHSA-N -1 0 317.288 -0.130 20 0 DBADRM CC(=O)N1CCOC2(CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)C1 ZINC001603025938 1018104752 /nfs/dbraw/zinc/10/47/52/1018104752.db2.gz LUXMURFHZKEPRR-RYUDHWBXSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H](C(=O)O[C@@H]1C(=O)OCC1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001603031356 1018105272 /nfs/dbraw/zinc/10/52/72/1018105272.db2.gz DLYGOLGDEXKEMK-NKWVEPMBSA-N -1 0 321.297 -0.486 20 0 DBADRM C[C@H](C(=O)Nc1ccc[nH]c1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001603030397 1018106274 /nfs/dbraw/zinc/10/62/74/1018106274.db2.gz XPINOMTWXPMNNM-ZCFIWIBFSA-N -1 0 301.270 -0.242 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1 ZINC001603040543 1018107897 /nfs/dbraw/zinc/10/78/97/1018107897.db2.gz VXYWSBJGGBXJGX-QWRGUYRKSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NCCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001603035482 1018108690 /nfs/dbraw/zinc/10/86/90/1018108690.db2.gz BDCIYHSZJPILRY-SECBINFHSA-N -1 0 323.353 -0.358 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC=C[C@H]1CO)CC(=O)[O-] ZINC001603042534 1018108797 /nfs/dbraw/zinc/10/87/97/1018108797.db2.gz RYJSRQNYLNCLKL-RYUDHWBXSA-N -1 0 312.366 -0.001 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001603035611 1018109292 /nfs/dbraw/zinc/10/92/92/1018109292.db2.gz GUWHDOZANAEXHC-QMMMGPOBSA-N -1 0 323.353 -0.572 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001603035969 1018109378 /nfs/dbraw/zinc/10/93/78/1018109378.db2.gz YOPXFUVJPNDOBY-SFYZADRCSA-N -1 0 309.326 -0.384 20 0 DBADRM CC(=O)NCC(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001603042712 1018109590 /nfs/dbraw/zinc/10/95/90/1018109590.db2.gz OLNXLDDPCQYYFC-MRVPVSSYSA-N -1 0 300.311 -0.623 20 0 DBADRM C[C@H](C(=O)OC[C@]1(C)CCNC1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001603032346 1018109835 /nfs/dbraw/zinc/10/98/35/1018109835.db2.gz PWSCHXBAOOSIHW-KRTXAFLBSA-N -1 0 320.313 -0.911 20 0 DBADRM C[C@@H](C(=O)OC[C@H]1CCCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603032288 1018111301 /nfs/dbraw/zinc/11/13/01/1018111301.db2.gz PHSOROCWKKRVNH-IUCAKERBSA-N -1 0 307.314 -0.011 20 0 DBADRM CC(=O)NCC1(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CCCC1 ZINC001499505131 1018112714 /nfs/dbraw/zinc/11/27/14/1018112714.db2.gz GIAKHZQQOYEYKD-UHFFFAOYSA-N -1 0 323.353 -0.220 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)NCCOCC(=O)[O-])C1 ZINC001603046865 1018112944 /nfs/dbraw/zinc/11/29/44/1018112944.db2.gz QSSJDJAEFXHVFB-NSHDSACASA-N -1 0 301.343 -0.355 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)CC(=O)NCCC(C)(C)C)C(=O)[O-] ZINC001603055702 1018115313 /nfs/dbraw/zinc/11/53/13/1018115313.db2.gz WWDQTNSRSHMROM-CHNSCGDPSA-N -1 0 320.411 -0.123 20 0 DBADRM CC(=O)NC[C@@H]1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001603044273 1018115535 /nfs/dbraw/zinc/11/55/35/1018115535.db2.gz CYSOEWYBXMAMDO-MXWKQRLJSA-N -1 0 320.367 -0.984 20 0 DBADRM CC(C)OC[C@H]1CN([C@H]2CCN(CC(=O)[O-])C2=O)CCO1 ZINC001603075728 1018117001 /nfs/dbraw/zinc/11/70/01/1018117001.db2.gz IQHQITRHTVOKAL-NEPJUHHUSA-N -1 0 300.355 -0.202 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001603121042 1018118323 /nfs/dbraw/zinc/11/83/23/1018118323.db2.gz PZJDHOWLEWEOSY-QMMMGPOBSA-N -1 0 302.327 -0.052 20 0 DBADRM CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001603081185 1018117440 /nfs/dbraw/zinc/11/74/40/1018117440.db2.gz UUKMLCQZBJNXJV-AOOOYVTPSA-N -1 0 324.337 -0.022 20 0 DBADRM CC(=O)Nc1ccccc1CNC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001603083948 1018118706 /nfs/dbraw/zinc/11/87/06/1018118706.db2.gz UWFAMXMZPCXBQD-UHFFFAOYSA-N -1 0 307.306 -0.014 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC001603124929 1018122022 /nfs/dbraw/zinc/12/20/22/1018122022.db2.gz ADCIADGTFSFEPP-VIFPVBQESA-N -1 0 321.399 -0.132 20 0 DBADRM CC(C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1)=C1CCC1 ZINC001603139420 1018122529 /nfs/dbraw/zinc/12/25/29/1018122529.db2.gz CPWQJMNDGQSVCC-VXGBXAGGSA-N -1 0 322.361 -0.103 20 0 DBADRM CC(C)(C)n1nnc(Cn2cc(-c3nnn[n-]3)ccc2=O)n1 ZINC001603135070 1018122827 /nfs/dbraw/zinc/12/28/27/1018122827.db2.gz HTNLEBCUQWSBEV-UHFFFAOYSA-N -1 0 301.314 -0.182 20 0 DBADRM CC(=O)c1nc(NC(=O)NCC(=O)NCC(=O)[O-])sc1C ZINC001603127416 1018124167 /nfs/dbraw/zinc/12/41/67/1018124167.db2.gz YNVKXDGNUVBSNZ-UHFFFAOYSA-N -1 0 314.323 -0.024 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)Nc1cccc(C(N)=O)c1)C(=O)[O-] ZINC001603145637 1018125231 /nfs/dbraw/zinc/12/52/31/1018125231.db2.gz UDXCIGMYDSBTTB-MRVPVSSYSA-N -1 0 307.306 -0.097 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N(C)CCCn1ccnc1)C(=O)[O-] ZINC001603145474 1018128028 /nfs/dbraw/zinc/12/80/28/1018128028.db2.gz RKOTVEKPVVMRAO-NSHDSACASA-N -1 0 310.354 -0.089 20 0 DBADRM C[C@H](C(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-])N1CCN(C)CC1 ZINC001603154550 1018132706 /nfs/dbraw/zinc/13/27/06/1018132706.db2.gz GVTSKQJLICHMJS-UPJWGTAASA-N -1 0 313.398 -0.239 20 0 DBADRM C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001603158631 1018132760 /nfs/dbraw/zinc/13/27/60/1018132760.db2.gz BPPHUMKIBBNNNY-UWVGGRQHSA-N -1 0 313.354 -0.707 20 0 DBADRM C[C@H](C(=O)N[C@H](CCC1OCCO1)C(=O)[O-])[C@@H]1CCC(=O)N1 ZINC001603155117 1018132775 /nfs/dbraw/zinc/13/27/75/1018132775.db2.gz OKBWMXIBROLICS-LPEHRKFASA-N -1 0 314.338 -0.376 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)CN1CCOCC1)C(=O)[O-] ZINC001603159278 1018134103 /nfs/dbraw/zinc/13/41/03/1018134103.db2.gz VTEHJWJNTRDSPQ-MNOVXSKESA-N -1 0 315.370 -0.998 20 0 DBADRM C[C@H](CN(C)c1nnnn1[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001603158902 1018134258 /nfs/dbraw/zinc/13/42/58/1018134258.db2.gz KGXUNZUQQVTNJY-PSASIEDQSA-N -1 0 308.342 -0.234 20 0 DBADRM C[C@H](C(=O)NCCCNc1ccnc(C(=O)[O-])n1)n1cccn1 ZINC001603164161 1018134924 /nfs/dbraw/zinc/13/49/24/1018134924.db2.gz IFTNIMDAQKDRDS-SNVBAGLBSA-N -1 0 318.337 -0.027 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCCO1)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001603164223 1018135174 /nfs/dbraw/zinc/13/51/74/1018135174.db2.gz KAPJWIYJVCTSMU-WYUUTHIRSA-N -1 0 300.355 -0.156 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC001603162019 1018136363 /nfs/dbraw/zinc/13/63/63/1018136363.db2.gz UEZRENARTRACML-SCZZXKLOSA-N -1 0 324.337 -0.090 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(c2cccc(F)n2)CC1 ZINC001603159608 1018137039 /nfs/dbraw/zinc/13/70/39/1018137039.db2.gz CCEUATVKKNWYQF-JTQLQIEISA-N -1 0 310.329 -0.068 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](S(C)(=O)=O)CC1 ZINC001603161335 1018137071 /nfs/dbraw/zinc/13/70/71/1018137071.db2.gz QLLGDCNRPIXSAE-VHSXEESVSA-N -1 0 306.384 -0.525 20 0 DBADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1C[C@H](O)[C@@H](O)C1 ZINC001603169040 1018138938 /nfs/dbraw/zinc/13/89/38/1018138938.db2.gz XGSHZWNHGMGIRV-ICCXJUOJSA-N -1 0 308.334 -0.573 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)S(N)(=O)=O ZINC001603168139 1018139626 /nfs/dbraw/zinc/13/96/26/1018139626.db2.gz MRFJBSMPWBDAKP-IWSPIJDZSA-N -1 0 308.356 -0.951 20 0 DBADRM C[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21)C(=O)[O-] ZINC001603175506 1018140015 /nfs/dbraw/zinc/14/00/15/1018140015.db2.gz RFBHBXMCNGSANT-OPRDCNLKSA-N -1 0 320.367 -0.695 20 0 DBADRM C[C@@H](CNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-] ZINC001603166442 1018141100 /nfs/dbraw/zinc/14/11/00/1018141100.db2.gz INCRDVSUAPPLFQ-IUCAKERBSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)CNc1ncc(C(=O)[O-])cn1)n1cncn1 ZINC001603173066 1018141247 /nfs/dbraw/zinc/14/12/47/1018141247.db2.gz DOJFLAMTFAKMTD-DTWKUNHWSA-N -1 0 319.325 -0.056 20 0 DBADRM CC(CO)(CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001603202918 1018146265 /nfs/dbraw/zinc/14/62/65/1018146265.db2.gz SJJATWNJZAVKOH-UHFFFAOYSA-N -1 0 314.269 -0.678 20 0 DBADRM C[C@H](NC(=O)C(=O)NCCC(=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC001603210756 1018147002 /nfs/dbraw/zinc/14/70/02/1018147002.db2.gz NBLUUFLBHAQYSG-UWVGGRQHSA-N -1 0 313.354 -0.517 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C(=O)NCC(F)(F)F ZINC001603219456 1018147894 /nfs/dbraw/zinc/14/78/94/1018147894.db2.gz WLJUKUHHBVAZTM-XINAWCOVSA-N -1 0 311.216 -0.601 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cnn(C)c1 ZINC001603210582 1018148367 /nfs/dbraw/zinc/14/83/67/1018148367.db2.gz JRUVAEFBCXVXSV-YMTOWFKASA-N -1 0 308.338 -0.080 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)COC(=O)CN1CCCS1(=O)=O ZINC001603242423 1018152417 /nfs/dbraw/zinc/15/24/17/1018152417.db2.gz UJMNAYVWRHHZAB-UHFFFAOYSA-N -1 0 307.324 -0.755 20 0 DBADRM C[C@@](NCc1cn(CC(N)=O)nn1)(C(=O)[O-])c1ccccc1 ZINC001603251046 1018152921 /nfs/dbraw/zinc/15/29/21/1018152921.db2.gz ZDMIAVLOSWQNFR-AWEZNQCLSA-N -1 0 303.322 -0.147 20 0 DBADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)[C@H](C)N1CCOCC1 ZINC001603234501 1018153140 /nfs/dbraw/zinc/15/31/40/1018153140.db2.gz PLHOQVAJXSNLKM-ZJUUUORDSA-N -1 0 310.354 -0.043 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)C1CC1 ZINC001603266215 1018154262 /nfs/dbraw/zinc/15/42/62/1018154262.db2.gz RCCUEMFSORQMLS-SCVCMEIPSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001603263108 1018155204 /nfs/dbraw/zinc/15/52/04/1018155204.db2.gz HITRGUAMUAIMNZ-AWEZNQCLSA-N -1 0 320.305 -0.481 20 0 DBADRM C[C@](O)(CNC(=O)Nc1cc(S(C)(=O)=O)ccn1)C(=O)[O-] ZINC001603256754 1018155505 /nfs/dbraw/zinc/15/55/05/1018155505.db2.gz GFNPXJUVGOOZEH-NSHDSACASA-N -1 0 317.323 -0.558 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@H]1C[C@H](C)O)C(=O)[O-] ZINC001603266458 1018159952 /nfs/dbraw/zinc/15/99/52/1018159952.db2.gz WMPWNFFVBRBQJV-VWYCJHECSA-N -1 0 300.355 -0.073 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)CN2CC(=O)NC2=O)n1 ZINC001603288775 1018160190 /nfs/dbraw/zinc/16/01/90/1018160190.db2.gz QWBRZDCQKMWQAK-UHFFFAOYSA-N -1 0 309.282 -0.807 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001603300512 1018163389 /nfs/dbraw/zinc/16/33/89/1018163389.db2.gz NJIJDSVOFPPPHM-SECBINFHSA-N -1 0 311.342 -0.600 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N(CCO)CCOCCO ZINC001603310293 1018163850 /nfs/dbraw/zinc/16/38/50/1018163850.db2.gz OWCQGXNYTBATFS-UHFFFAOYSA-N -1 0 317.382 -0.047 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC001603312543 1018163861 /nfs/dbraw/zinc/16/38/61/1018163861.db2.gz OZIUHIDDZFHLPW-SSDOTTSWSA-N -1 0 311.338 -0.130 20 0 DBADRM CC1(C)CN(C(=O)C2(C(=O)[O-])CCOCC2)C[C@H](CO)O1 ZINC001603329584 1018166492 /nfs/dbraw/zinc/16/64/92/1018166492.db2.gz SYFBKYXWDHXSLS-SNVBAGLBSA-N -1 0 301.339 -0.134 20 0 DBADRM CC1(C)CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001603329772 1018167667 /nfs/dbraw/zinc/16/76/67/1018167667.db2.gz XPGWNPXGNORDQL-UHFFFAOYSA-N -1 0 310.310 -0.456 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cnn(CC(=O)NCCO)c1 ZINC001603324057 1018168239 /nfs/dbraw/zinc/16/82/39/1018168239.db2.gz SRAOESIJSDZMMZ-AWEZNQCLSA-N -1 0 324.337 -0.569 20 0 DBADRM CC1(C)COC(=O)[C@@H]1NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603334137 1018168315 /nfs/dbraw/zinc/16/83/15/1018168315.db2.gz LDPOWIXBMYSLEQ-JTQLQIEISA-N -1 0 308.290 -0.386 20 0 DBADRM CC1(C)CN(CCS(=O)(=O)CC(=O)[O-])C[C@]2(CCOC2)O1 ZINC001603334286 1018168332 /nfs/dbraw/zinc/16/83/32/1018168332.db2.gz VWAKRAMIOPOZFE-ZDUSSCGKSA-N -1 0 321.395 -0.244 20 0 DBADRM C[C@]1(CNC(=O)NCCOCCOCC(=O)[O-])CCCO1 ZINC001603340281 1018169557 /nfs/dbraw/zinc/16/95/57/1018169557.db2.gz YNSMDJAOPXQHJS-CYBMUJFWSA-N -1 0 304.343 -0.028 20 0 DBADRM CC(C)(C)N1C[C@H](CNC(=O)N2CC(O)(C(=O)[O-])C2)CC1=O ZINC001603343115 1018170271 /nfs/dbraw/zinc/17/02/71/1018170271.db2.gz GWQMFSLVQHJGPS-VIFPVBQESA-N -1 0 313.354 -0.526 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001603352172 1018170583 /nfs/dbraw/zinc/17/05/83/1018170583.db2.gz JLWMWCUKCYYFTD-GARJFASQSA-N -1 0 311.338 -0.116 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCn3cnnc3C2)C1 ZINC001603354429 1018173506 /nfs/dbraw/zinc/17/35/06/1018173506.db2.gz GQJAJHPWVBNXLO-VHSXEESVSA-N -1 0 321.337 -0.811 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CCCCO)C1 ZINC001603354080 1018173516 /nfs/dbraw/zinc/17/35/16/1018173516.db2.gz FSZHSRPYRQYCHZ-WDEREUQCSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001603359982 1018173767 /nfs/dbraw/zinc/17/37/67/1018173767.db2.gz HPEPHSYHLRHADI-NXEZZACHSA-N -1 0 319.321 -0.540 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001603353832 1018173787 /nfs/dbraw/zinc/17/37/87/1018173787.db2.gz CKVHRDXMEFPWCJ-SECBINFHSA-N -1 0 319.317 -0.352 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NCC[C@H](O)C(=O)[O-])C1 ZINC001603358408 1018174295 /nfs/dbraw/zinc/17/42/95/1018174295.db2.gz IAOAOFSWOXIPGW-IUCAKERBSA-N -1 0 316.310 -0.575 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCc2cnccn2)C1 ZINC001603355106 1018174779 /nfs/dbraw/zinc/17/47/79/1018174779.db2.gz NTQSAOWSCNUZMI-QWRGUYRKSA-N -1 0 320.349 -0.296 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cn(C)cn2)C1 ZINC001603355414 1018174973 /nfs/dbraw/zinc/17/49/73/1018174973.db2.gz RGVDEXNYPMGFJN-VHSXEESVSA-N -1 0 308.338 -0.395 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)N[C@@](C)(CO)C(=O)[O-])C1 ZINC001603358131 1018175313 /nfs/dbraw/zinc/17/53/13/1018175313.db2.gz FDYIKQSIAFCXNY-OQPBUACISA-N -1 0 316.310 -0.575 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nnnn2CCN2CCOCC2)C1 ZINC001603372003 1018176066 /nfs/dbraw/zinc/17/60/66/1018176066.db2.gz KNWMPWYUPCSJQV-VXGBXAGGSA-N -1 0 324.385 -0.448 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1CN(CC(=O)NCCC(=O)[O-])CCO1 ZINC001603365864 1018177431 /nfs/dbraw/zinc/17/74/31/1018177431.db2.gz OMIJRUBAGYDBIX-SNVBAGLBSA-N -1 0 316.354 -0.380 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nnc(CS(C)(=O)=O)n2C)C1 ZINC001603372194 1018177639 /nfs/dbraw/zinc/17/76/39/1018177639.db2.gz LTXXZTJGELYIHC-RKDXNWHRSA-N -1 0 316.383 -0.093 20 0 DBADRM CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC001603378965 1018178193 /nfs/dbraw/zinc/17/81/93/1018178193.db2.gz KRTLFKJXSAGDCZ-IUCAKERBSA-N -1 0 320.317 -0.247 20 0 DBADRM CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC001603378964 1018179174 /nfs/dbraw/zinc/17/91/74/1018179174.db2.gz KRTLFKJXSAGDCZ-DTWKUNHWSA-N -1 0 320.317 -0.247 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCS1(=O)=O ZINC001603374362 1018179185 /nfs/dbraw/zinc/17/91/85/1018179185.db2.gz BXPFQOVCJJISPF-ZXFLCMHBSA-N -1 0 304.324 -0.702 20 0 DBADRM CC(C)(C)OC(=O)CCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001603364861 1018179297 /nfs/dbraw/zinc/17/92/97/1018179297.db2.gz FYMRFMUQJBRYMR-VIFPVBQESA-N -1 0 314.338 -0.090 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)CCN2CCOC2=O)[C@H]1C(=O)[O-] ZINC001603414821 1018181186 /nfs/dbraw/zinc/18/11/86/1018181186.db2.gz KCQVZPJHTLQULL-NXEZZACHSA-N -1 0 320.367 -0.047 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)c2cn(CC(=O)[O-])nn2)CS1(=O)=O ZINC001603398194 1018181230 /nfs/dbraw/zinc/18/12/30/1018181230.db2.gz UZUFCLGNKJADOA-JGVFFNPUSA-N -1 0 316.339 -0.942 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)N1CCN(C)CC1 ZINC001603390965 1018181291 /nfs/dbraw/zinc/18/12/91/1018181291.db2.gz DWMFBHKNRPOGGI-GHMZBOCLSA-N -1 0 305.400 -0.336 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001603404690 1018182393 /nfs/dbraw/zinc/18/23/93/1018182393.db2.gz DXGOCFPNAFICKX-NSHDSACASA-N -1 0 316.354 -0.521 20 0 DBADRM CC(C)(C)OC(=O)N1CC(C)(C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC001603383592 1018182424 /nfs/dbraw/zinc/18/24/24/1018182424.db2.gz SFVPXVKEDZVGPR-QMMMGPOBSA-N -1 0 302.327 -0.195 20 0 DBADRM CNC(=O)CCCCC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001499804721 1018183662 /nfs/dbraw/zinc/18/36/62/1018183662.db2.gz JRJWVHYCRUMCBT-UHFFFAOYSA-N -1 0 324.385 -0.541 20 0 DBADRM C[C@@H]1CCN(c2nnc([C@@H]3CNC(=O)C3)n2C)C[C@H]1C(=O)[O-] ZINC001603433013 1018184240 /nfs/dbraw/zinc/18/42/40/1018184240.db2.gz BMXUDHJBOCQLIA-KXUCPTDWSA-N -1 0 307.354 -0.034 20 0 DBADRM C[C@@H]1CCN(c2nnc([C@@]3(O)CCOC3)n2C)C[C@@H]1C(=O)[O-] ZINC001603434393 1018184295 /nfs/dbraw/zinc/18/42/95/1018184295.db2.gz PVBZMQWSEBJVAI-ISTVAULSSA-N -1 0 310.354 -0.030 20 0 DBADRM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001603434554 1018184953 /nfs/dbraw/zinc/18/49/53/1018184953.db2.gz SEHKEWOVWWXHOR-JOYOIKCWSA-N -1 0 320.349 -0.169 20 0 DBADRM C[C@H]1CCOCCN1C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603434454 1018184962 /nfs/dbraw/zinc/18/49/62/1018184962.db2.gz QVFXBUBJXLXSPV-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)c2cnc(C(=O)[O-])cn2)C[C@@H](C)O1 ZINC001603443574 1018185552 /nfs/dbraw/zinc/18/55/52/1018185552.db2.gz VTGYYYWPTANXDN-RKDXNWHRSA-N -1 0 323.305 -0.033 20 0 DBADRM C[C@@H]1CCOCCN1C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603434455 1018185994 /nfs/dbraw/zinc/18/59/94/1018185994.db2.gz QVFXBUBJXLXSPV-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001603429568 1018186235 /nfs/dbraw/zinc/18/62/35/1018186235.db2.gz JUWPZVPWTNWPSS-RKDXNWHRSA-N -1 0 324.337 -0.011 20 0 DBADRM C[C@@H]1CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCN1C ZINC001603440920 1018186318 /nfs/dbraw/zinc/18/63/18/1018186318.db2.gz VWSDZNJWGDOZAK-SNVBAGLBSA-N -1 0 318.395 -0.572 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@H](O)CC(=O)[O-] ZINC001603452636 1018187104 /nfs/dbraw/zinc/18/71/04/1018187104.db2.gz QJMYYCMIDWTTAP-RKDXNWHRSA-N -1 0 320.342 -0.786 20 0 DBADRM C[C@@H]1CN(CCNC(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001603461507 1018189597 /nfs/dbraw/zinc/18/95/97/1018189597.db2.gz PNAFVEZFQNKNDV-SNVBAGLBSA-N -1 0 311.342 -0.190 20 0 DBADRM C[C@H]1CN(C(=O)NCCCc2nnnn2C)CC[C@@H]1C(=O)[O-] ZINC001603449929 1018189918 /nfs/dbraw/zinc/18/99/18/1018189918.db2.gz CEEOZHZNMMHJNM-UWVGGRQHSA-N -1 0 310.358 -0.105 20 0 DBADRM C[C@@H]1CN([C@H]2CCN(CC(=O)[O-])C2=O)C[C@]2(CCCOC2)O1 ZINC001603462432 1018190493 /nfs/dbraw/zinc/19/04/93/1018190493.db2.gz YSBSXWKCUQXWHR-XUJVJEKNSA-N -1 0 312.366 -0.058 20 0 DBADRM C[C@@H]1CSC[C@@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603472913 1018191954 /nfs/dbraw/zinc/19/19/54/1018191954.db2.gz HNPQULYBUFIYOT-SFYZADRCSA-N -1 0 312.351 -0.226 20 0 DBADRM C[C@@H]1CN(c2nnnn2[C@H]2CCN(C)C2=O)CC[C@@H]1C(=O)[O-] ZINC001603470856 1018192021 /nfs/dbraw/zinc/19/20/21/1018192021.db2.gz PLTYPUAEDWTPRL-UTLUCORTSA-N -1 0 308.342 -0.377 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001603486028 1018192728 /nfs/dbraw/zinc/19/27/28/1018192728.db2.gz SQZVQILBQKZYMR-SNVBAGLBSA-N -1 0 321.333 -0.326 20 0 DBADRM C[C@@H](CCCO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603475997 1018192746 /nfs/dbraw/zinc/19/27/46/1018192746.db2.gz BOAFXYSRFZWSHU-ZETCQYMHSA-N -1 0 301.328 -0.101 20 0 DBADRM CC(C)(C)OC(=O)NOCC(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001603479280 1018193260 /nfs/dbraw/zinc/19/32/60/1018193260.db2.gz UZTCWHGQEKMUQL-UHFFFAOYSA-N -1 0 318.326 -0.215 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC[S@@](=O)C1 ZINC001603464853 1018193287 /nfs/dbraw/zinc/19/32/87/1018193287.db2.gz ZJDIZPQFADBUAS-KFTBIWSRSA-N -1 0 324.424 -0.519 20 0 DBADRM C[C@H]1CN(c2nnnn2CCC(=O)N(C)C)CC[C@H]1C(=O)[O-] ZINC001603471223 1018193399 /nfs/dbraw/zinc/19/33/99/1018193399.db2.gz ZPLMEWBVKITHAC-VHSXEESVSA-N -1 0 310.358 -0.302 20 0 DBADRM C[C@@H]1CN(c2nnc(CS(C)(=O)=O)n2C)CC[C@@H]1C(=O)[O-] ZINC001603470448 1018194141 /nfs/dbraw/zinc/19/41/41/1018194141.db2.gz JNPKOINCSUPARE-BDAKNGLRSA-N -1 0 316.383 -0.093 20 0 DBADRM C[C@@H](C[C@@H]1CCOC1)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001603467599 1018194201 /nfs/dbraw/zinc/19/42/01/1018194201.db2.gz XYELYDXGNULMCS-IUCAKERBSA-N -1 0 306.330 -0.611 20 0 DBADRM CC[C@@](C)(O)CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603508110 1018196853 /nfs/dbraw/zinc/19/68/53/1018196853.db2.gz GRJSSJPWIDBULM-IINYFYTJSA-N -1 0 315.370 -0.088 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[C@H]1O)C(=O)[O-] ZINC001603548878 1018199896 /nfs/dbraw/zinc/19/98/96/1018199896.db2.gz KUQQRQDSVXVODB-OUAUKWLOSA-N -1 0 300.355 -0.167 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001603582325 1018209847 /nfs/dbraw/zinc/20/98/47/1018209847.db2.gz ISCNIPQHNPQKBH-ZWNOBZJWSA-N -1 0 302.327 -0.770 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001603536612 1018200135 /nfs/dbraw/zinc/20/01/35/1018200135.db2.gz RDQZEWCQZFLZJX-HRDYMLBCSA-N -1 0 302.342 -0.349 20 0 DBADRM CC[C@@H](CNC(=O)N(CCO)CCN1CCOCC1)C(=O)[O-] ZINC001603556967 1018204631 /nfs/dbraw/zinc/20/46/31/1018204631.db2.gz OTFGXCOKCUYTQF-LBPRGKRZSA-N -1 0 317.386 -0.567 20 0 DBADRM CC[C@@H](CNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001603560952 1018206798 /nfs/dbraw/zinc/20/67/98/1018206798.db2.gz HVBYKAKGLPJCBC-ZJUUUORDSA-N -1 0 321.399 -0.322 20 0 DBADRM CC[C@H](CO)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001603574505 1018207016 /nfs/dbraw/zinc/20/70/16/1018207016.db2.gz DHMQGLXWTSEQKT-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM CC[C@H](CNC(=O)NC[C@]1(OCCO)CCOC1)C(=O)[O-] ZINC001603562255 1018207297 /nfs/dbraw/zinc/20/72/97/1018207297.db2.gz UMKCETWMWAKRPI-ZWNOBZJWSA-N -1 0 304.343 -0.436 20 0 DBADRM CC[C@@]1(C(=O)N(CCC(=O)OC)CC(=O)[O-])CCNC1=O ZINC001603592925 1018210648 /nfs/dbraw/zinc/21/06/48/1018210648.db2.gz YGVIKWKKMRVKIA-CYBMUJFWSA-N -1 0 300.311 -0.621 20 0 DBADRM CC(C)(CC(=O)[O-])NS(=O)(=O)CCCN1CCOCC1 ZINC001603591798 1018210880 /nfs/dbraw/zinc/21/08/80/1018210880.db2.gz LYNPGLYVYLKHRF-UHFFFAOYSA-N -1 0 308.400 -0.119 20 0 DBADRM CC/C=C/Cn1nnnc1N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001603628407 1018213251 /nfs/dbraw/zinc/21/32/51/1018213251.db2.gz LCYNNXRRUMNZOZ-MUBLQREKSA-N -1 0 311.342 -0.054 20 0 DBADRM CC(C)(CNC(=O)NCCCN1C(=O)CNC1=O)CC(=O)[O-] ZINC001603632279 1018213632 /nfs/dbraw/zinc/21/36/32/1018213632.db2.gz UKROMPHMEHCFGX-UHFFFAOYSA-N -1 0 314.342 -0.272 20 0 DBADRM CC(C)(CN1C(=O)N[C@H](CCC(=O)[O-])C1=O)S(C)(=O)=O ZINC001603619110 1018213898 /nfs/dbraw/zinc/21/38/98/1018213898.db2.gz YKFOSXMRDMQVPH-SSDOTTSWSA-N -1 0 306.340 -0.405 20 0 DBADRM CC[C@@H]1CN(C(=O)c2cn(CC(=O)[O-])nn2)C[C@]2(CCOC2)O1 ZINC001603624243 1018214018 /nfs/dbraw/zinc/21/40/18/1018214018.db2.gz CLEXQTHFKGBOJL-YGRLFVJLSA-N -1 0 324.337 -0.227 20 0 DBADRM CC(C)(CNC(=O)NC1CC(NS(C)(=O)=O)C1)C(=O)[O-] ZINC001603630243 1018214320 /nfs/dbraw/zinc/21/43/20/1018214320.db2.gz IJJMWFZPIIWUGZ-UHFFFAOYSA-N -1 0 307.372 -0.523 20 0 DBADRM CC(C)(CO)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001603653188 1018216743 /nfs/dbraw/zinc/21/67/43/1018216743.db2.gz NKWUFDUPZPQDLR-UHFFFAOYSA-N -1 0 312.326 -0.472 20 0 DBADRM CC(C)(CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)N1CCOCC1 ZINC001603644515 1018218110 /nfs/dbraw/zinc/21/81/10/1018218110.db2.gz FQWFKWWYNBBMCE-PHIMTYICSA-N -1 0 320.411 -0.120 20 0 DBADRM CCCN(CC(=O)[O-])[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001603666814 1018220122 /nfs/dbraw/zinc/22/01/22/1018220122.db2.gz QZHDSYXKWBTLRN-NXEZZACHSA-N -1 0 306.384 -0.525 20 0 DBADRM CC(C)(CS(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)O1)C(=O)[O-] ZINC001603660539 1018220574 /nfs/dbraw/zinc/22/05/74/1018220574.db2.gz VOTPJCFKQPTIDN-HTQZYQBOSA-N -1 0 308.356 -0.951 20 0 DBADRM CC(C)(O)[C@H](O)C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001603687804 1018221540 /nfs/dbraw/zinc/22/15/40/1018221540.db2.gz IQAZMKFABJBMML-SNVBAGLBSA-N -1 0 312.326 -0.728 20 0 DBADRM CC(C)(O)C1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001603689773 1018222090 /nfs/dbraw/zinc/22/20/90/1018222090.db2.gz WXWMQGFZFNHGCW-UHFFFAOYSA-N -1 0 307.306 -0.052 20 0 DBADRM CC(C)(O)CCC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603689603 1018222121 /nfs/dbraw/zinc/22/21/21/1018222121.db2.gz OVQYSPHWJAODEQ-UHFFFAOYSA-N -1 0 307.368 -0.314 20 0 DBADRM CC(C)(O)[C@H](O)C(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-] ZINC001603687848 1018222405 /nfs/dbraw/zinc/22/24/05/1018222405.db2.gz JIGKELRBZWDAIB-VXGBXAGGSA-N -1 0 309.318 -0.138 20 0 DBADRM CC(C)(O)[C@H](O)C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1[C@@H]1CCCO1 ZINC001603689088 1018222560 /nfs/dbraw/zinc/22/25/60/1018222560.db2.gz WHHOGZRTWDTCHP-WHOHXGKFSA-N -1 0 315.366 -0.011 20 0 DBADRM CC(C)(O)[C@@H]1CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001603689662 1018222809 /nfs/dbraw/zinc/22/28/09/1018222809.db2.gz RSLXSGQYGJTEAM-SECBINFHSA-N -1 0 311.342 -0.221 20 0 DBADRM C[C@@H](O)C(C)(C)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001603693756 1018223135 /nfs/dbraw/zinc/22/31/35/1018223135.db2.gz HZEWAVLMDOKINQ-ZCFIWIBFSA-N -1 0 309.330 -0.515 20 0 DBADRM C[C@@H](O)CC(C)(C)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001603697238 1018225494 /nfs/dbraw/zinc/22/54/94/1018225494.db2.gz YCPXMNMJLMCANW-MRVPVSSYSA-N -1 0 308.346 -0.629 20 0 DBADRM CC(C)=C(F)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001603697846 1018226344 /nfs/dbraw/zinc/22/63/44/1018226344.db2.gz RSFGXIAQJWUXIP-BDAKNGLRSA-N -1 0 314.313 -0.340 20 0 DBADRM CC(C)[C@@H](CCO)NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001603723974 1018232065 /nfs/dbraw/zinc/23/20/65/1018232065.db2.gz NBHUFHYRWDXCOI-SECBINFHSA-N -1 0 312.326 -0.420 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001603725408 1018232642 /nfs/dbraw/zinc/23/26/42/1018232642.db2.gz NDQQDKUREINJFU-BFVZDQMLSA-N -1 0 313.354 -0.404 20 0 DBADRM CC(C)[C@H](CNC(=O)CC(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001603722962 1018233875 /nfs/dbraw/zinc/23/38/75/1018233875.db2.gz SCPAMNFAZIITGC-VIFPVBQESA-N -1 0 309.326 -0.397 20 0 DBADRM CCN1C[C@H](NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1=O ZINC001603757363 1018234792 /nfs/dbraw/zinc/23/47/92/1018234792.db2.gz XZUXSCNVBOSZIG-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC(C)(C(=O)[O-])C1 ZINC001603760943 1018234917 /nfs/dbraw/zinc/23/49/17/1018234917.db2.gz BGNAOAHDIIMZOP-VIFPVBQESA-N -1 0 313.354 -0.674 20 0 DBADRM CCN1C[C@H](C(=O)NCCOCCOCC(=O)[O-])CC1=O ZINC001603756135 1018235931 /nfs/dbraw/zinc/23/59/31/1018235931.db2.gz FMPXNRRBJFHSGS-SNVBAGLBSA-N -1 0 302.327 -0.911 20 0 DBADRM CC(C)[C@@H]1CCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1 ZINC001603752314 1018236205 /nfs/dbraw/zinc/23/62/05/1018236205.db2.gz AEFNPAVUJMRPLD-IJLUTSLNSA-N -1 0 312.366 -0.215 20 0 DBADRM CC(C)[C@H]1C[C@H]1C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001603753410 1018236377 /nfs/dbraw/zinc/23/63/77/1018236377.db2.gz VJPKTKTXZBFYPJ-ZDCRXTMVSA-N -1 0 323.349 -0.116 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H](CC)C(=O)[O-])C1 ZINC001603771321 1018238200 /nfs/dbraw/zinc/23/82/00/1018238200.db2.gz FKTYWZVESYSIGP-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1C[C@@H]2COC[C@H](C1)O2)C(=O)[O-] ZINC001603775581 1018238726 /nfs/dbraw/zinc/23/87/26/1018238726.db2.gz ILBVJNGKPAVFPB-GRYCIOLGSA-N -1 0 300.355 -0.299 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001603778501 1018240072 /nfs/dbraw/zinc/24/00/72/1018240072.db2.gz PKKCECHBIHZTIY-AWEZNQCLSA-N -1 0 317.338 -0.096 20 0 DBADRM CC(C)C[C@H](NC(=O)Cn1cnc2c(nnn2C)c1=O)C(=O)[O-] ZINC001603781759 1018240956 /nfs/dbraw/zinc/24/09/56/1018240956.db2.gz DWVOVQCYHUESGT-QMMMGPOBSA-N -1 0 322.325 -0.860 20 0 DBADRM CCOC(=O)[C@H]1CSCCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001603791852 1018241244 /nfs/dbraw/zinc/24/12/44/1018241244.db2.gz AGEDDYZXQGUWEZ-RKDXNWHRSA-N -1 0 316.335 -0.277 20 0 DBADRM CC1(C)CO[C@@H](CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001603789366 1018241477 /nfs/dbraw/zinc/24/14/77/1018241477.db2.gz MBLYUICXPLLWOG-VIFPVBQESA-N -1 0 320.357 -0.220 20 0 DBADRM C[C@]1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCCO1 ZINC001603801801 1018242121 /nfs/dbraw/zinc/24/21/21/1018242121.db2.gz ACBJJSKPZYMBHP-GFCCVEGCSA-N -1 0 306.330 -0.466 20 0 DBADRM CCOC(=O)[C@H](CO)NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001603780995 1018242903 /nfs/dbraw/zinc/24/29/03/1018242903.db2.gz VSFPFOCDLMKDKJ-BBBLOLIVSA-N -1 0 303.311 -0.704 20 0 DBADRM CC(C)CN1C[C@H]2CN(C(=O)COCC(=O)[O-])CCN2C1=O ZINC001603816580 1018245622 /nfs/dbraw/zinc/24/56/22/1018245622.db2.gz RBIMRQAMLHRHBF-LLVKDONJSA-N -1 0 313.354 -0.308 20 0 DBADRM CC(C)CN1C(=O)C(=O)N(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1=O ZINC001603814582 1018246459 /nfs/dbraw/zinc/24/64/59/1018246459.db2.gz KGLQJRAGWVSXAD-MYJAWHEDSA-N -1 0 309.322 -0.347 20 0 DBADRM CCOC(=O)c1cn(CCNC(=O)[C@](C)(OC)C(=O)[O-])cn1 ZINC001603819291 1018246871 /nfs/dbraw/zinc/24/68/71/1018246871.db2.gz QTFFTVPTLLJBQE-ZDUSSCGKSA-N -1 0 313.310 -0.334 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)c2ccnn2C)c1[O-] ZINC001500127141 1018248233 /nfs/dbraw/zinc/24/82/33/1018248233.db2.gz XBEJKNSZKWGCQF-QMMMGPOBSA-N -1 0 320.353 -0.047 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001603830223 1018249329 /nfs/dbraw/zinc/24/93/29/1018249329.db2.gz LEGFENBXNRDFEA-GHMZBOCLSA-N -1 0 321.395 -0.089 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001603830029 1018249518 /nfs/dbraw/zinc/24/95/18/1018249518.db2.gz BHTPEAAVZGCVHA-NSHDSACASA-N -1 0 320.411 -0.468 20 0 DBADRM CCOC[C@@H](O)Cn1cc(CN2CCC(C(=O)[O-])CC2)nn1 ZINC001603834149 1018250166 /nfs/dbraw/zinc/25/01/66/1018250166.db2.gz AIHMJWADHMXMRZ-ZDUSSCGKSA-N -1 0 312.370 -0.028 20 0 DBADRM CCO[C@H](C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O)[C@@H]1CCOC1 ZINC001603824795 1018250854 /nfs/dbraw/zinc/25/08/54/1018250854.db2.gz ZKWRDQOVLUNYEQ-SCVCMEIPSA-N -1 0 315.322 -0.343 20 0 DBADRM CCOC[C@H](O)Cn1cc(CN2CCC(C(=O)[O-])CC2)nn1 ZINC001603834148 1018251352 /nfs/dbraw/zinc/25/13/52/1018251352.db2.gz AIHMJWADHMXMRZ-CYBMUJFWSA-N -1 0 312.370 -0.028 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)NCCn2cnc(-c3nnn[n-]3)n2)[C@@H](C)O1 ZINC001603846166 1018252313 /nfs/dbraw/zinc/25/23/13/1018252313.db2.gz SPZYPJMYLUDLGU-IWSPIJDZSA-N -1 0 306.330 -0.612 20 0 DBADRM CCOCCO[C@H](C)C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001603841266 1018252659 /nfs/dbraw/zinc/25/26/59/1018252659.db2.gz FKLVCBYTHGCFPR-RISCZKNCSA-N -1 0 319.354 -0.243 20 0 DBADRM CCOCCOC[C@H](O)CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001603842070 1018254384 /nfs/dbraw/zinc/25/43/84/1018254384.db2.gz KKORUCOHVUXLGZ-GRYCIOLGSA-N -1 0 318.370 -0.047 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCn2cnc(-c3nnn[n-]3)n2)[C@H](C)O1 ZINC001603846167 1018255067 /nfs/dbraw/zinc/25/50/67/1018255067.db2.gz SPZYPJMYLUDLGU-VGMNWLOBSA-N -1 0 306.330 -0.612 20 0 DBADRM CCOc1cnc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001603885596 1018257161 /nfs/dbraw/zinc/25/71/61/1018257161.db2.gz UAXHZHXWMBXHKG-SECBINFHSA-N -1 0 309.278 -0.282 20 0 DBADRM CC(C)Cn1nnnc1N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001603866416 1018257178 /nfs/dbraw/zinc/25/71/78/1018257178.db2.gz OCOMWYOAWBSNQG-AWEZNQCLSA-N -1 0 324.385 -0.305 20 0 DBADRM CC(C)N(CC(=O)N1CCC(C(=O)[O-])CC1)S(C)(=O)=O ZINC001603871792 1018257443 /nfs/dbraw/zinc/25/74/43/1018257443.db2.gz QDRSOHVNAGUTIZ-UHFFFAOYSA-N -1 0 306.384 -0.020 20 0 DBADRM CC(C)N(C[C@@H](O)CO)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001603876115 1018257644 /nfs/dbraw/zinc/25/76/44/1018257644.db2.gz SQYROAYWYWLJAY-LLVKDONJSA-N -1 0 324.399 -0.909 20 0 DBADRM CNC(=O)CC(=O)NC[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001500176494 1018257719 /nfs/dbraw/zinc/25/77/19/1018257719.db2.gz FAWISGPVAOJEHE-SSDOTTSWSA-N -1 0 311.342 -0.958 20 0 DBADRM CC(C)N1CCC[C@@H](OC(=O)Cn2cc(C(=O)[O-])nn2)C1=O ZINC001603894584 1018258016 /nfs/dbraw/zinc/25/80/16/1018258016.db2.gz WNWMKZPDGFKMJP-SNVBAGLBSA-N -1 0 310.310 -0.081 20 0 DBADRM CC[S@](=O)CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603894663 1018258073 /nfs/dbraw/zinc/25/80/73/1018258073.db2.gz ISQDGPLQLAYONO-LXGOIASLSA-N -1 0 304.368 -0.806 20 0 DBADRM CC(C)N(C[C@H](O)CO)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001603875812 1018258148 /nfs/dbraw/zinc/25/81/48/1018258148.db2.gz MOTDLFABWXPSOH-VIFPVBQESA-N -1 0 318.351 -0.468 20 0 DBADRM CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N2CC(C(=O)[O-])C2)c1 ZINC001603895841 1018259557 /nfs/dbraw/zinc/25/95/57/1018259557.db2.gz PLHPNJFHTQWRDR-UHFFFAOYSA-N -1 0 314.319 -0.263 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001603899021 1018260429 /nfs/dbraw/zinc/26/04/29/1018260429.db2.gz VCTRGLIHHVZFHM-AWEZNQCLSA-N -1 0 315.370 -0.950 20 0 DBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001603908472 1018261217 /nfs/dbraw/zinc/26/12/17/1018261217.db2.gz UOWYTWHJGYKNKW-LPEHRKFASA-N -1 0 314.338 -0.330 20 0 DBADRM CC(C)NC(=O)CN(C)C(=O)COCc1ocnc1C(=O)[O-] ZINC001603898486 1018261352 /nfs/dbraw/zinc/26/13/52/1018261352.db2.gz OCPOWTGHDQPZAO-UHFFFAOYSA-N -1 0 313.310 -0.128 20 0 DBADRM C[C@@H]1CCCCN1C(=O)Cn1cnc(-c2nnn[n-]2)cc1=O ZINC001603895981 1018261501 /nfs/dbraw/zinc/26/15/01/1018261501.db2.gz NNNDFZFXFBVGIN-SECBINFHSA-N -1 0 303.326 -0.176 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001603916398 1018261995 /nfs/dbraw/zinc/26/19/95/1018261995.db2.gz GDGOYPHPUXZHOE-DTWKUNHWSA-N -1 0 315.326 -0.689 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1OCCN(C)C1=O ZINC001603916949 1018262127 /nfs/dbraw/zinc/26/21/27/1018262127.db2.gz QIVJKYPDFQAPNM-UWVGGRQHSA-N -1 0 302.327 -0.820 20 0 DBADRM C[C@@H](C(=O)N1CCCO[C@@H](C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001603914086 1018262323 /nfs/dbraw/zinc/26/23/23/1018262323.db2.gz RRDFHNKXIWCUOS-IUCAKERBSA-N -1 0 306.330 -0.343 20 0 DBADRM C[C@@H]1CCOCCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603909176 1018262670 /nfs/dbraw/zinc/26/26/70/1018262670.db2.gz CESMNNKOZRYZLQ-SECBINFHSA-N -1 0 321.345 -0.721 20 0 DBADRM C[C@@H]1CSC[C@@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001603946285 1018263751 /nfs/dbraw/zinc/26/37/51/1018263751.db2.gz ALOQXEWBWUXBJV-RITPCOANSA-N -1 0 309.355 -0.171 20 0 DBADRM C[C@@H]1COCC[C@@H]1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603946922 1018266281 /nfs/dbraw/zinc/26/62/81/1018266281.db2.gz FCVACXASMBINBZ-BDAKNGLRSA-N -1 0 321.345 -0.818 20 0 DBADRM CC[C@H](NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2)C(=O)[O-] ZINC001603954849 1018268996 /nfs/dbraw/zinc/26/89/96/1018268996.db2.gz KZWFRSNJRYBPBV-QMMMGPOBSA-N -1 0 316.339 -0.890 20 0 DBADRM CC(C)[C@@H](O)C(=O)N(C)[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001603967497 1018272135 /nfs/dbraw/zinc/27/21/35/1018272135.db2.gz SZVASLLGIUIPIP-MWLCHTKSSA-N -1 0 310.354 -0.128 20 0 DBADRM CCc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])[nH]n1 ZINC001603968231 1018273218 /nfs/dbraw/zinc/27/32/18/1018273218.db2.gz VMJRZEKTZASJEJ-SECBINFHSA-N -1 0 301.324 -0.704 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)C1(C(N)=O)CCC1)C(=O)[O-] ZINC001603973732 1018273527 /nfs/dbraw/zinc/27/35/27/1018273527.db2.gz OMQPYJWKDXEIGK-VIFPVBQESA-N -1 0 300.311 -0.589 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@H]1CCNC(=O)C1)C(=O)[O-] ZINC001603974146 1018275247 /nfs/dbraw/zinc/27/52/47/1018275247.db2.gz WCBJOLGCKRWVHT-KWQFWETISA-N -1 0 300.311 -0.719 20 0 DBADRM CCn1cnnc1CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604018555 1018279766 /nfs/dbraw/zinc/27/97/66/1018279766.db2.gz RTNSPSLGZDHRAY-JTQLQIEISA-N -1 0 323.353 -0.720 20 0 DBADRM CC(C)c1nnnn1CC(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001604026920 1018280174 /nfs/dbraw/zinc/28/01/74/1018280174.db2.gz QPVXLDWCGMDUGO-CYBMUJFWSA-N -1 0 311.342 -0.063 20 0 DBADRM CC[C@H](COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC001604040640 1018281479 /nfs/dbraw/zinc/28/14/79/1018281479.db2.gz SPJSONTYKLVHHV-HTQZYQBOSA-N -1 0 323.313 -0.238 20 0 DBADRM CN(C(=O)NCC1(C(=O)[O-])CCOCC1)[C@@H]1COC[C@H]1O ZINC001604034744 1018282158 /nfs/dbraw/zinc/28/21/58/1018282158.db2.gz BKMZTQASMLIWMF-NXEZZACHSA-N -1 0 302.327 -0.731 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)Nc2ccnc(C(=O)[O-])c2)nn1 ZINC001604040984 1018283115 /nfs/dbraw/zinc/28/31/15/1018283115.db2.gz PRYSNFHLGKAJFR-UHFFFAOYSA-N -1 0 318.293 -0.288 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1 ZINC001604040577 1018283493 /nfs/dbraw/zinc/28/34/93/1018283493.db2.gz GFMRBJYNRPPORD-MRVPVSSYSA-N -1 0 309.326 -0.064 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cc(C(=O)[O-])n[nH]2)O1 ZINC001604040484 1018284759 /nfs/dbraw/zinc/28/47/59/1018284759.db2.gz AMXSSXIERDJJHH-OIBJUYFYSA-N -1 0 310.310 -0.527 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001604060386 1018287456 /nfs/dbraw/zinc/28/74/56/1018287456.db2.gz PDDYGCIIZJDODY-ZMWSMAPVSA-N -1 0 318.333 -0.223 20 0 DBADRM CC[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC001604048079 1018287752 /nfs/dbraw/zinc/28/77/52/1018287752.db2.gz UCESDPARHIOEOG-NKWVEPMBSA-N -1 0 308.302 -0.913 20 0 DBADRM CC[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H]1CCCCO1 ZINC001604047652 1018288074 /nfs/dbraw/zinc/28/80/74/1018288074.db2.gz OGIHVJUTEVOLEE-VHSXEESVSA-N -1 0 320.357 -0.078 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001604055962 1018288585 /nfs/dbraw/zinc/28/85/85/1018288585.db2.gz RTNALIPUIPNLCH-JYESYGNLSA-N -1 0 308.338 -0.083 20 0 DBADRM C[C@H](CC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-])NC(N)=O ZINC001604068506 1018289079 /nfs/dbraw/zinc/28/90/79/1018289079.db2.gz FZUUWGZLJMQKFY-UTLUCORTSA-N -1 0 301.343 -0.181 20 0 DBADRM CCC(O)(CC)C(C)(C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001604066119 1018291957 /nfs/dbraw/zinc/29/19/57/1018291957.db2.gz LAAGFEXZXYHZLB-UHFFFAOYSA-N -1 0 322.373 -0.096 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001604103551 1018293465 /nfs/dbraw/zinc/29/34/65/1018293465.db2.gz CKCFWBRCWVHBQR-MNOVXSKESA-N -1 0 312.366 -0.023 20 0 DBADRM CN(C)c1ccc2nnc(CNC(=O)[C@H]3CC[C@H]3C(=O)[O-])n2n1 ZINC001604091044 1018293747 /nfs/dbraw/zinc/29/37/47/1018293747.db2.gz QNAODSYQPXDWCI-DTWKUNHWSA-N -1 0 318.337 -0.083 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N(CC(=O)[O-])CC1CC1 ZINC001604083773 1018293843 /nfs/dbraw/zinc/29/38/43/1018293843.db2.gz RMBPGSXDUJMFFH-SFHVURJKSA-N -1 0 313.401 -0.398 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001604094239 1018294019 /nfs/dbraw/zinc/29/40/19/1018294019.db2.gz LKHLFHKCJQPIQN-KXUCPTDWSA-N -1 0 306.384 -0.069 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NCc1nnc2ccc(N(C)C)nn21 ZINC001604095126 1018296156 /nfs/dbraw/zinc/29/61/56/1018296156.db2.gz PPMZWLBDPGKGTR-MRVPVSSYSA-N -1 0 306.326 -0.083 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001604094809 1018296422 /nfs/dbraw/zinc/29/64/22/1018296422.db2.gz XERJGTIENSTWGX-GIPNMCIBSA-N -1 0 319.379 -0.050 20 0 DBADRM CN(CC(=O)[O-])Cc1cn(Cc2cn3cccnc3n2)nn1 ZINC001604114038 1018297836 /nfs/dbraw/zinc/29/78/36/1018297836.db2.gz WXAICDGGNMOQOG-UHFFFAOYSA-N -1 0 301.310 -0.115 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2coc(C(N)=O)c2)CC1 ZINC001604114611 1018298321 /nfs/dbraw/zinc/29/83/21/1018298321.db2.gz NWHRKXXCJGETKZ-SECBINFHSA-N -1 0 309.322 -0.001 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001604124970 1018299938 /nfs/dbraw/zinc/29/99/38/1018299938.db2.gz HIYVTQAMNWWAFU-XHNCKOQMSA-N -1 0 321.337 -0.833 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H]1COC(=O)N1 ZINC001604141439 1018301757 /nfs/dbraw/zinc/30/17/57/1018301757.db2.gz HROVRYGIIJGINS-SFYZADRCSA-N -1 0 323.309 -0.988 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC001604134317 1018301772 /nfs/dbraw/zinc/30/17/72/1018301772.db2.gz WQTYLWFRCFBUAK-LLVKDONJSA-N -1 0 322.365 -0.256 20 0 DBADRM C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001604130122 1018302019 /nfs/dbraw/zinc/30/20/19/1018302019.db2.gz QHOIYTFSAPWOFZ-GMTAPVOTSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@@H](CCCNc1ncc(C(=O)[O-])cn1)NC(=O)CC(N)=O ZINC001604132889 1018302554 /nfs/dbraw/zinc/30/25/54/1018302554.db2.gz RJDYSYKOVZEXPU-QMMMGPOBSA-N -1 0 309.326 -0.253 20 0 DBADRM CCC[C@H](C)[C@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604134476 1018302976 /nfs/dbraw/zinc/30/29/76/1018302976.db2.gz HAHVGUTUCYWPPQ-YUMQZZPRSA-N -1 0 323.357 -0.125 20 0 DBADRM C[C@@](CCF)(NC(=O)CN1CCCCC(=O)C1=O)C(=O)[O-] ZINC001604140646 1018303222 /nfs/dbraw/zinc/30/32/22/1018303222.db2.gz TYYABBTYQRVILH-ZDUSSCGKSA-N -1 0 302.302 -0.113 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)NCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001604125091 1018303285 /nfs/dbraw/zinc/30/32/85/1018303285.db2.gz HYSGBRDIHLKVET-QMMMGPOBSA-N -1 0 309.326 -0.761 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCc1cn2ccccc2n1 ZINC001604133923 1018304078 /nfs/dbraw/zinc/30/40/78/1018304078.db2.gz NRXFPGSHQXBCHM-UHFFFAOYSA-N -1 0 304.306 -0.116 20 0 DBADRM C[C@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1COCCO1 ZINC001604141240 1018304218 /nfs/dbraw/zinc/30/42/18/1018304218.db2.gz GTPRVTZIWFKNJC-MWLCHTKSSA-N -1 0 324.337 -0.103 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001604125583 1018304277 /nfs/dbraw/zinc/30/42/77/1018304277.db2.gz VPZLDUHSISNFDQ-RKDXNWHRSA-N -1 0 321.337 -0.879 20 0 DBADRM C[C@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)c1nnc[nH]1 ZINC001604142514 1018305146 /nfs/dbraw/zinc/30/51/46/1018305146.db2.gz UCFIAJYCCLKJQJ-SSDOTTSWSA-N -1 0 305.298 -0.087 20 0 DBADRM CCC[C@H](O)[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001604144822 1018306405 /nfs/dbraw/zinc/30/64/05/1018306405.db2.gz MJFVYGKRFJKJMR-MNOVXSKESA-N -1 0 321.337 -0.176 20 0 DBADRM CCC[C@@]1(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCOC1 ZINC001604154586 1018307039 /nfs/dbraw/zinc/30/70/39/1018307039.db2.gz VWOPXQMDFXSNPR-GFCCVEGCSA-N -1 0 306.330 -0.466 20 0 DBADRM CCC[C@]1(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCOC1 ZINC001604154588 1018307261 /nfs/dbraw/zinc/30/72/61/1018307261.db2.gz VWOPXQMDFXSNPR-LBPRGKRZSA-N -1 0 306.330 -0.466 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cn[nH]c1)Nc1ccnc(C(=O)[O-])n1 ZINC001604155164 1018307439 /nfs/dbraw/zinc/30/74/39/1018307439.db2.gz GQECDRHXPUVIEP-QMMMGPOBSA-N -1 0 304.310 -0.108 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cnnn1C)Nc1ccnc(C(=O)[O-])n1 ZINC001604158323 1018307484 /nfs/dbraw/zinc/30/74/84/1018307484.db2.gz MOXRQPCNPRYECN-QMMMGPOBSA-N -1 0 319.325 -0.702 20 0 DBADRM C[C@@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1COCCO1 ZINC001604158980 1018308875 /nfs/dbraw/zinc/30/88/75/1018308875.db2.gz HKYCJFASBCWJFT-GXSJLCMTSA-N -1 0 324.337 -0.469 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001604167143 1018309596 /nfs/dbraw/zinc/30/95/96/1018309596.db2.gz NEQRPDIXBUEFPB-DDHJBXDOSA-N -1 0 300.355 -0.299 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001604168070 1018309825 /nfs/dbraw/zinc/30/98/25/1018309825.db2.gz ZYJXKDHAEXXERH-UTUOFQBUSA-N -1 0 315.370 -0.409 20 0 DBADRM CN(CCCNC(=O)CSCCC(=O)[O-])S(C)(=O)=O ZINC001604168678 1018310458 /nfs/dbraw/zinc/31/04/58/1018310458.db2.gz NFLMPDHQLMXYTR-UHFFFAOYSA-N -1 0 312.413 -0.408 20 0 DBADRM C[C@@H](CNC(=O)Cc1nc[nH]n1)CNc1ncc(C(=O)[O-])cn1 ZINC001604174427 1018311436 /nfs/dbraw/zinc/31/14/36/1018311436.db2.gz MYCPFNZKEHRSPP-QMMMGPOBSA-N -1 0 319.325 -0.300 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCOC1)CNc1ccnc(C(=O)[O-])n1 ZINC001604173183 1018311995 /nfs/dbraw/zinc/31/19/95/1018311995.db2.gz NTIZQZQCAQOFLE-VHSXEESVSA-N -1 0 308.338 -0.203 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001604173004 1018312127 /nfs/dbraw/zinc/31/21/27/1018312127.db2.gz KDUBSQFSCDAMHO-UWVGGRQHSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@H](CNC(=O)CCCC(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001604174553 1018312154 /nfs/dbraw/zinc/31/21/54/1018312154.db2.gz XDXAANPWMUTAOY-MRVPVSSYSA-N -1 0 309.326 -0.831 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001604173006 1018312660 /nfs/dbraw/zinc/31/26/60/1018312660.db2.gz KDUBSQFSCDAMHO-ZJUUUORDSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC2=C(CCC(=O)N2)C1)C(=O)[O-] ZINC001604207118 1018322430 /nfs/dbraw/zinc/32/24/30/1018322430.db2.gz XKZOQYWZAHWWQY-MRVPVSSYSA-N -1 0 302.352 -0.093 20 0 DBADRM CN(CCNC(=O)[C@H](C(=O)[O-])C(C)(C)C)CCS(C)(=O)=O ZINC001604174829 1018313141 /nfs/dbraw/zinc/31/31/41/1018313141.db2.gz BWZDSXKZSUSSDF-SNVBAGLBSA-N -1 0 322.427 -0.174 20 0 DBADRM C[C@H](CNC(=O)c1cccc(=O)[nH]1)Nc1ccnc(C(=O)[O-])n1 ZINC001604184479 1018313842 /nfs/dbraw/zinc/31/38/42/1018313842.db2.gz LUHXITGDEQGUSB-MRVPVSSYSA-N -1 0 317.305 -0.072 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)Cc1cc[nH]n1 ZINC001604190770 1018314085 /nfs/dbraw/zinc/31/40/85/1018314085.db2.gz MZVTYSKPSPGLEV-SECBINFHSA-N -1 0 318.337 -0.179 20 0 DBADRM CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001604181448 1018314162 /nfs/dbraw/zinc/31/41/62/1018314162.db2.gz QCWUQSYHWYKNDV-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1n[nH]cc1C(=O)[O-])Cn1cccn1 ZINC001604185350 1018314363 /nfs/dbraw/zinc/31/43/63/1018314363.db2.gz DUSDXOZWZDNJQP-QMMMGPOBSA-N -1 0 313.339 -0.081 20 0 DBADRM C[C@@H](CNC(=O)c1cnc[nH]c1=O)Nc1ccnc(C(=O)[O-])n1 ZINC001604183247 1018314567 /nfs/dbraw/zinc/31/45/67/1018314567.db2.gz IOMNADZLYRQLCW-ZETCQYMHSA-N -1 0 318.293 -0.677 20 0 DBADRM C[C@@H](CNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC001604181041 1018315013 /nfs/dbraw/zinc/31/50/13/1018315013.db2.gz NPUWKAQIYZWQAK-KWQFWETISA-N -1 0 312.297 -0.247 20 0 DBADRM C[C@H](CNC(=O)c1ncn(C)n1)N(C)c1ccnc(C(=O)[O-])n1 ZINC001604183974 1018315500 /nfs/dbraw/zinc/31/55/00/1018315500.db2.gz QELNFRPOPJEVJD-MRVPVSSYSA-N -1 0 319.325 -0.442 20 0 DBADRM CN(Cc1cccc(O)c1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001604188722 1018315816 /nfs/dbraw/zinc/31/58/16/1018315816.db2.gz MZDJODUWQIXEMW-LBPRGKRZSA-N -1 0 322.317 -0.337 20 0 DBADRM CN(OCC(F)(F)F)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001604194672 1018316910 /nfs/dbraw/zinc/31/69/10/1018316910.db2.gz AHNQOCRWKKKCDG-ZCFIWIBFSA-N -1 0 314.216 -0.749 20 0 DBADRM CN(Cc1nc[nH]n1)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001604195948 1018317219 /nfs/dbraw/zinc/31/72/19/1018317219.db2.gz XGKWQOHJISZQQC-UHFFFAOYSA-N -1 0 304.266 -0.505 20 0 DBADRM C[C@@](CO)(NC(=O)[C@H]1CCN(Cc2ccccc2)C1=O)C(=O)[O-] ZINC001604191386 1018317806 /nfs/dbraw/zinc/31/78/06/1018317806.db2.gz OCHAKSBURCKHEK-WBMJQRKESA-N -1 0 320.345 -0.013 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001604202732 1018318762 /nfs/dbraw/zinc/31/87/62/1018318762.db2.gz HNCSDMIWOBQBKD-NOOOWODRSA-N -1 0 316.354 -0.343 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-] ZINC001604199301 1018319063 /nfs/dbraw/zinc/31/90/63/1018319063.db2.gz YMSJLTVTIKSVQB-LLVKDONJSA-N -1 0 316.291 -0.353 20 0 DBADRM C[C@](CO)(NS(=O)(=O)C[C@H]1CCC2(CCC2)O1)C(=O)[O-] ZINC001604198916 1018319491 /nfs/dbraw/zinc/31/94/91/1018319491.db2.gz NXLDELDRFYJJTR-MWLCHTKSSA-N -1 0 307.368 -0.157 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-] ZINC001604199302 1018319776 /nfs/dbraw/zinc/31/97/76/1018319776.db2.gz YMSJLTVTIKSVQB-NSHDSACASA-N -1 0 316.291 -0.353 20 0 DBADRM CN1C[C@@H](CCn2nnnc2N2CC[C@](C)(C(=O)[O-])C2)CC1=O ZINC001604200842 1018320922 /nfs/dbraw/zinc/32/09/22/1018320922.db2.gz JGSYGNBHYQAJGS-HZMBPMFUSA-N -1 0 322.369 -0.158 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC001604207111 1018321674 /nfs/dbraw/zinc/32/16/74/1018321674.db2.gz XKJDNOXVZAGBFU-LURJTMIESA-N -1 0 318.273 -0.299 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@H]1C[C@@H]2CCCCN2C1=O)C(=O)[O-] ZINC001604210643 1018323789 /nfs/dbraw/zinc/32/37/89/1018323789.db2.gz NUNHOGMKDYFHPU-UTLUCORTSA-N -1 0 304.368 -0.220 20 0 DBADRM CN1CC[C@@H]1CNC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001604209726 1018323840 /nfs/dbraw/zinc/32/38/40/1018323840.db2.gz HJEDPTXTHVSXLV-GFCCVEGCSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC2=C(CCC(=O)N2)C1)C(=O)[O-] ZINC001604207121 1018324014 /nfs/dbraw/zinc/32/40/14/1018324014.db2.gz XKZOQYWZAHWWQY-QMMMGPOBSA-N -1 0 302.352 -0.093 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCc2nc[nH]c(=O)c2C1)C(=O)[O-] ZINC001604211358 1018325207 /nfs/dbraw/zinc/32/52/07/1018325207.db2.gz SMLCIJKQEIMYAD-ZETCQYMHSA-N -1 0 301.324 -0.409 20 0 DBADRM CN1CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCC1=O ZINC001604220881 1018325419 /nfs/dbraw/zinc/32/54/19/1018325419.db2.gz IYSDBCVUBUFQQS-SNVBAGLBSA-N -1 0 311.338 -1.000 20 0 DBADRM CN1CCC2(CCN(C(=O)c3cn(CC(=O)[O-])nn3)CC2)C1=O ZINC001604211114 1018325897 /nfs/dbraw/zinc/32/58/97/1018325897.db2.gz XPZWSJJIMWFJIC-UHFFFAOYSA-N -1 0 321.337 -0.553 20 0 DBADRM CN1CCn2c(CCNC(=O)C3(C(=O)[O-])CCC3)nnc2C1=O ZINC001604230904 1018328450 /nfs/dbraw/zinc/32/84/50/1018328450.db2.gz ALLIXIHXLYNVAN-UHFFFAOYSA-N -1 0 321.337 -0.723 20 0 DBADRM CNC(=O)COc1ccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1 ZINC001604237031 1018329095 /nfs/dbraw/zinc/32/90/95/1018329095.db2.gz NTJQVENPQWTKLI-NSHDSACASA-N -1 0 321.289 -0.021 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001604239961 1018329372 /nfs/dbraw/zinc/32/93/72/1018329372.db2.gz JNZRWCQTMRQXHF-YIRRWDMUSA-N -1 0 313.354 -0.168 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001604231661 1018329662 /nfs/dbraw/zinc/32/96/62/1018329662.db2.gz ZSHSDEDACDLWGJ-VHSXEESVSA-N -1 0 307.354 -0.172 20 0 DBADRM CNC(=O)CN1CCCN(C(=O)c2cc(C(=O)[O-])nn2C)CC1 ZINC001604236808 1018330925 /nfs/dbraw/zinc/33/09/25/1018330925.db2.gz IYDTUJPXFNCNFK-UHFFFAOYSA-N -1 0 323.353 -0.988 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)CC1CS(=O)(=O)C1)C(=O)[O-] ZINC001604242139 1018331309 /nfs/dbraw/zinc/33/13/09/1018331309.db2.gz IPIUIGUIZFVWOQ-LBPRGKRZSA-N -1 0 315.351 -0.723 20 0 DBADRM CNC(=O)N1CCN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CC1 ZINC001604241535 1018331931 /nfs/dbraw/zinc/33/19/31/1018331931.db2.gz ZFKBUVYUJGVCCV-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H](Cc1cnn(C)c1)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001604242249 1018332230 /nfs/dbraw/zinc/33/22/30/1018332230.db2.gz XEWOQQGELLIIMZ-SECBINFHSA-N -1 0 318.337 -0.028 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C(=O)[O-] ZINC001604241983 1018332429 /nfs/dbraw/zinc/33/24/29/1018332429.db2.gz HIVAKDLNLWOHBV-BFVZDQMLSA-N -1 0 308.338 -0.256 20 0 DBADRM C[C@@](Cn1cccn1)(NS(=O)(=O)C[C@@H]1CCOC1)C(=O)[O-] ZINC001604243231 1018332492 /nfs/dbraw/zinc/33/24/92/1018332492.db2.gz BXACTUHMNGVMCF-PWSUYJOCSA-N -1 0 317.367 -0.318 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)C1 ZINC001604249002 1018332590 /nfs/dbraw/zinc/33/25/90/1018332590.db2.gz CVXUORRPNNASLQ-PELKAZGASA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@](Cn1cccn1)(NS(=O)(=O)C[C@@H]1CCOC1)C(=O)[O-] ZINC001604243232 1018332919 /nfs/dbraw/zinc/33/29/19/1018332919.db2.gz BXACTUHMNGVMCF-ZYHUDNBSSA-N -1 0 317.367 -0.318 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1Cc1cc(C(=O)[O-])nn1C ZINC001604249689 1018333448 /nfs/dbraw/zinc/33/34/48/1018333448.db2.gz POTSUFXAMWMGRQ-VIFPVBQESA-N -1 0 316.383 -0.368 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@](C)(OC)C(=O)[O-])C1 ZINC001604249968 1018333607 /nfs/dbraw/zinc/33/36/07/1018333607.db2.gz VPZJUCQTBOJYDB-BXKDBHETSA-N -1 0 322.383 -0.736 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCOCC1)c1ncc(C(=O)[O-])s1 ZINC001604255222 1018333879 /nfs/dbraw/zinc/33/38/79/1018333879.db2.gz BNEMQBPOZLDWMT-SSDOTTSWSA-N -1 0 313.335 -0.123 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001604249200 1018334848 /nfs/dbraw/zinc/33/48/48/1018334848.db2.gz VHLOCLDFCHBYKU-NSHDSACASA-N -1 0 315.351 -0.709 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001604249367 1018335036 /nfs/dbraw/zinc/33/50/36/1018335036.db2.gz JFRGVKIVAAZXSL-ZETCQYMHSA-N -1 0 316.339 -0.738 20 0 DBADRM CNS(=O)(=O)CCNC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001604249739 1018335173 /nfs/dbraw/zinc/33/51/73/1018335173.db2.gz QGYKRUGCLWVFHC-HYXAFXHYSA-N -1 0 302.308 -0.344 20 0 DBADRM CCCn1cc(C(=O)Nc2nn(C)cc2-c2nn[nH]n2)nn1 ZINC001604251648 1018335237 /nfs/dbraw/zinc/33/52/37/1018335237.db2.gz URNAEYRBSCNFCU-UHFFFAOYSA-N -1 0 302.302 -0.146 20 0 DBADRM CNS(=O)(=O)CCCOC(=O)c1ccc(C(=O)[O-])cn1 ZINC001604249591 1018335287 /nfs/dbraw/zinc/33/52/87/1018335287.db2.gz NKOAOLUHIKIADF-UHFFFAOYSA-N -1 0 302.308 -0.124 20 0 DBADRM COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001604267359 1018336660 /nfs/dbraw/zinc/33/66/60/1018336660.db2.gz GWAWBGIMRPPZGU-FKTZTGRPSA-N -1 0 314.294 -0.557 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)c1ccc(C(=O)[O-])cn1 ZINC001604267694 1018337051 /nfs/dbraw/zinc/33/70/51/1018337051.db2.gz MSQFBZHLXDFVIQ-JTQLQIEISA-N -1 0 324.289 -0.186 20 0 DBADRM COC(=O)C(C)(C)n1cc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cn1 ZINC001604263309 1018337541 /nfs/dbraw/zinc/33/75/41/1018337541.db2.gz YNKADTKHCWPKSO-SECBINFHSA-N -1 0 324.293 -0.041 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)c1ccc(C(=O)[O-])cn1 ZINC001604267695 1018338012 /nfs/dbraw/zinc/33/80/12/1018338012.db2.gz MSQFBZHLXDFVIQ-SNVBAGLBSA-N -1 0 324.289 -0.186 20 0 DBADRM C[C@H](NC(=O)C1=COCCO1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604265013 1018338314 /nfs/dbraw/zinc/33/83/14/1018338314.db2.gz SBJWFYMYKFXXEN-IUCAKERBSA-N -1 0 322.321 -0.210 20 0 DBADRM COC(=O)[C@]1(CNC(=O)c2cnc(C(=O)[O-])cn2)CCOC1 ZINC001604275672 1018339017 /nfs/dbraw/zinc/33/90/17/1018339017.db2.gz HDZKXHVJXSFVTD-ZDUSSCGKSA-N -1 0 309.278 -0.516 20 0 DBADRM COC(=O)C1(NC(=O)c2cc(C(=O)[O-])nn2C)CC(CO)C1 ZINC001604275468 1018339440 /nfs/dbraw/zinc/33/94/40/1018339440.db2.gz BKIAKJPLTFXGKA-UHFFFAOYSA-N -1 0 311.294 -0.838 20 0 DBADRM COC(=O)[C@@]1(CNC(=O)c2cnc(C(=O)[O-])cn2)CCOC1 ZINC001604275671 1018339830 /nfs/dbraw/zinc/33/98/30/1018339830.db2.gz HDZKXHVJXSFVTD-CYBMUJFWSA-N -1 0 309.278 -0.516 20 0 DBADRM C[C@@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)[C@H]1CN(C)CCO1 ZINC001604277093 1018339983 /nfs/dbraw/zinc/33/99/83/1018339983.db2.gz JEKIQLKKZFDHSP-ZYHUDNBSSA-N -1 0 323.349 -0.618 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC001604276217 1018340148 /nfs/dbraw/zinc/34/01/48/1018340148.db2.gz VBWQUBPUUJTUOK-HNNXBMFYSA-N -1 0 323.301 -0.100 20 0 DBADRM COC(=O)[C@H](NCC(=O)NCC(=O)[O-])[C@H]1CCC[C@@H](OC)C1 ZINC001604271319 1018340255 /nfs/dbraw/zinc/34/02/55/1018340255.db2.gz KJMONNQMVRRKKY-OPQQBVKSSA-N -1 0 316.354 -0.476 20 0 DBADRM C[C@@H](NC(=O)CN1CC(F)(F)C[C@@H]1C(=O)[O-])C(=O)N(C)C ZINC001604275594 1018340580 /nfs/dbraw/zinc/34/05/80/1018340580.db2.gz QEDQAUJTKPSGBO-HTQZYQBOSA-N -1 0 307.297 -0.627 20 0 DBADRM C[C@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)[C@H](O)C(F)(F)F ZINC001604277285 1018340825 /nfs/dbraw/zinc/34/08/25/1018340825.db2.gz KLVABPHYRXWTBR-RCOVLWMOSA-N -1 0 322.239 -0.026 20 0 DBADRM C[C@@H](NC(=O)Cn1ccc(C(=O)[O-])n1)c1nnc2n1CCC2 ZINC001604276607 1018340880 /nfs/dbraw/zinc/34/08/80/1018340880.db2.gz CCUMZJYPRMIEML-MRVPVSSYSA-N -1 0 304.310 -0.004 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H](C)NC(=O)Cc1cc[nH]n1 ZINC001604277195 1018341002 /nfs/dbraw/zinc/34/10/02/1018341002.db2.gz JGVSDFKUBBNKCC-BDAKNGLRSA-N -1 0 318.337 -0.132 20 0 DBADRM C[C@@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)c1ccnn1C ZINC001604287341 1018342252 /nfs/dbraw/zinc/34/22/52/1018342252.db2.gz AJEXPJSBWJZKBY-MRVPVSSYSA-N -1 0 307.314 -0.230 20 0 DBADRM C[C@@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)c1ccn(C)n1 ZINC001604287997 1018342405 /nfs/dbraw/zinc/34/24/05/1018342405.db2.gz UIORDAHEWHYOHS-MRVPVSSYSA-N -1 0 307.314 -0.230 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H](C)C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001604290762 1018342425 /nfs/dbraw/zinc/34/24/25/1018342425.db2.gz QGMNTPMPYPBLQX-YIZRAAEISA-N -1 0 301.295 -0.340 20 0 DBADRM COC(=O)C1=NOC2(C1)CCN(C(=O)[C@H](OC)C(=O)[O-])CC2 ZINC001604280312 1018343610 /nfs/dbraw/zinc/34/36/10/1018343610.db2.gz NOBPGVWOZPPAJP-VIFPVBQESA-N -1 0 314.294 -0.604 20 0 DBADRM CCN(CC)C(=O)OCn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC001604281853 1018344186 /nfs/dbraw/zinc/34/41/86/1018344186.db2.gz MMCKVTWGBMJPDC-UHFFFAOYSA-N -1 0 323.313 -0.837 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)COCC(=O)[O-])[C@H](C(=O)OC)C1 ZINC001604289300 1018344558 /nfs/dbraw/zinc/34/45/58/1018344558.db2.gz CWYTXDCHBXSQIX-IUCAKERBSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)C[C@]1(NC(=O)c2cc(C(=O)[O-])n[nH]2)CCCOC1 ZINC001604298670 1018345122 /nfs/dbraw/zinc/34/51/22/1018345122.db2.gz IRWPPNPWNUPBGU-CYBMUJFWSA-N -1 0 311.294 -0.050 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C[C@H]1C(=O)OC ZINC001604291685 1018345333 /nfs/dbraw/zinc/34/53/33/1018345333.db2.gz CBRXRCAZGSPGDX-LHGDVCQASA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@H](C(=O)[O-])C2CC2)C[C@H]1C(=O)OC ZINC001604293163 1018345468 /nfs/dbraw/zinc/34/54/68/1018345468.db2.gz RKJNDEGXMNRCAC-KXUCPTDWSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001604303314 1018345629 /nfs/dbraw/zinc/34/56/29/1018345629.db2.gz MODDJFVBJYFBCU-SECBINFHSA-N -1 0 315.326 -0.747 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CCCCN(C)C1=O ZINC001604303040 1018347512 /nfs/dbraw/zinc/34/75/12/1018347512.db2.gz HINBHPYVMATWOC-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM COC(=O)[C@@H]1CSCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001604292802 1018347238 /nfs/dbraw/zinc/34/72/38/1018347238.db2.gz MMJXFTBKEGQRAA-CBAPKCEASA-N -1 0 316.335 -0.420 20 0 DBADRM COC(=O)C[C@@H]1CS(=O)(=O)CCN1[C@H](C(=O)[O-])C1CC1 ZINC001604303950 1018348424 /nfs/dbraw/zinc/34/84/24/1018348424.db2.gz HCRGFIKOBHFMOT-KOLCDFICSA-N -1 0 305.352 -0.488 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H](C)NC(=O)c1ccn(C)n1 ZINC001604312438 1018348835 /nfs/dbraw/zinc/34/88/35/1018348835.db2.gz BJALFCAKRPDLGM-BDAKNGLRSA-N -1 0 318.337 -0.051 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H](C)NC(=O)c1cnn(C)n1 ZINC001604315422 1018348861 /nfs/dbraw/zinc/34/88/61/1018348861.db2.gz ARIXUVSIYRIABZ-SFYZADRCSA-N -1 0 319.325 -0.656 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1cccc(C(N)=O)c1 ZINC001604306551 1018349096 /nfs/dbraw/zinc/34/90/96/1018349096.db2.gz RBOOQHFQTBFOPE-UHFFFAOYSA-N -1 0 308.290 -0.125 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H](C)N1CCSCC1 ZINC001604303621 1018349165 /nfs/dbraw/zinc/34/91/65/1018349165.db2.gz UCABPWBCIKJQJV-SNVBAGLBSA-N -1 0 318.395 -0.100 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)Cc1ccc(C(N)=O)nc1 ZINC001604306135 1018349240 /nfs/dbraw/zinc/34/92/40/1018349240.db2.gz LSVUEPWIMNYXCK-UHFFFAOYSA-N -1 0 323.305 -0.801 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])CN1C[C@@H]2CCO[C@@H]2C1=O ZINC001604310578 1018349425 /nfs/dbraw/zinc/34/94/25/1018349425.db2.gz BLNQODDELSJSRW-CABZTGNLSA-N -1 0 300.311 -0.859 20 0 DBADRM C[C@H](NC(=O)c1cn(C)cn1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604316956 1018349530 /nfs/dbraw/zinc/34/95/30/1018349530.db2.gz VFJFOBYHBKTAHO-IUCAKERBSA-N -1 0 318.337 -0.051 20 0 DBADRM C[C@@](NC(=O)c1ccnc2c(C(N)=O)cnn21)(C(=O)[O-])C1CC1 ZINC001604313586 1018350215 /nfs/dbraw/zinc/35/02/15/1018350215.db2.gz NWQLCRAWTXOLLE-AWEZNQCLSA-N -1 0 317.305 -0.189 20 0 DBADRM C[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)[C@H]1CN(C)CCO1 ZINC001604306335 1018350464 /nfs/dbraw/zinc/35/04/64/1018350464.db2.gz QUHCKTPTMHGPKC-IYKVGLELSA-N -1 0 300.355 -0.300 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H]1CCc2cncn2C1)C(=O)[O-] ZINC001604318316 1018350972 /nfs/dbraw/zinc/35/09/72/1018350972.db2.gz SOFPKDNVWLBHDA-ONGXEEELSA-N -1 0 309.322 -0.032 20 0 DBADRM COC(=O)CCSCCNC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001604318329 1018351222 /nfs/dbraw/zinc/35/12/22/1018351222.db2.gz ULEJFXSJDVCVHK-QMMMGPOBSA-N -1 0 304.324 -0.372 20 0 DBADRM C[C@@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)c1nnnn1C ZINC001604351318 1018355024 /nfs/dbraw/zinc/35/50/24/1018355024.db2.gz ORHXRYWCUHOMNC-SSDOTTSWSA-N -1 0 303.344 -0.555 20 0 DBADRM CCN([C@H](C)CO)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604327116 1018351350 /nfs/dbraw/zinc/35/13/50/1018351350.db2.gz LJBPUQJGWGUQHA-SSDOTTSWSA-N -1 0 301.328 -0.149 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@@H]1CSCN1C(C)=O)C(=O)[O-] ZINC001604317614 1018352495 /nfs/dbraw/zinc/35/24/95/1018352495.db2.gz CODZZKJPKUMAQH-IUCAKERBSA-N -1 0 318.351 -0.570 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001604318042 1018352872 /nfs/dbraw/zinc/35/28/72/1018352872.db2.gz MBVLAVRXJZDSLZ-DTORHVGOSA-N -1 0 315.326 -0.782 20 0 DBADRM COC(=O)CN(C(=O)c1cccn(CC(=O)[O-])c1=O)C(C)C ZINC001604325910 1018353217 /nfs/dbraw/zinc/35/32/17/1018353217.db2.gz HBYDHNYFPVGFKB-UHFFFAOYSA-N -1 0 310.306 -0.044 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@@H]1CCNC(=O)CC1)C(=O)[O-] ZINC001604318512 1018353232 /nfs/dbraw/zinc/35/32/32/1018353232.db2.gz XMSHMFYXNBZJBP-IUCAKERBSA-N -1 0 300.311 -0.575 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001604345024 1018355321 /nfs/dbraw/zinc/35/53/21/1018355321.db2.gz MDOTXFQSRSMMSK-MRVPVSSYSA-N -1 0 311.298 -0.677 20 0 DBADRM C[C@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)c1nnnn1C ZINC001604351319 1018356685 /nfs/dbraw/zinc/35/66/85/1018356685.db2.gz ORHXRYWCUHOMNC-ZETCQYMHSA-N -1 0 303.344 -0.555 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)c1ncn(C)n1 ZINC001604353964 1018358526 /nfs/dbraw/zinc/35/85/26/1018358526.db2.gz HFIUJBRHHLLJET-SSDOTTSWSA-N -1 0 313.339 -0.109 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)[C@@H](O)C(F)(F)F ZINC001604353766 1018358650 /nfs/dbraw/zinc/35/86/50/1018358650.db2.gz CWBLWAVEPWLAAT-AWFVSMACSA-N -1 0 317.245 -0.302 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001604358171 1018359005 /nfs/dbraw/zinc/35/90/05/1018359005.db2.gz LDHHBZYRAZFBNM-FKTZTGRPSA-N -1 0 304.368 -0.507 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001604358476 1018359489 /nfs/dbraw/zinc/35/94/89/1018359489.db2.gz NJPIMJFYQHHCPB-ZCFIWIBFSA-N -1 0 321.380 -0.562 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccccc1C(=O)[O-])c1nnnn1C ZINC001604356154 1018359877 /nfs/dbraw/zinc/35/98/77/1018359877.db2.gz FCFIGPCZFLSVQZ-ZETCQYMHSA-N -1 0 311.323 -0.052 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001604358303 1018359997 /nfs/dbraw/zinc/35/99/97/1018359997.db2.gz MVBZYAUDZWYLPO-LPEHRKFASA-N -1 0 322.383 -0.690 20 0 DBADRM C[C@H](Nc1ncc(C(=O)[O-])cn1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001604364778 1018362395 /nfs/dbraw/zinc/36/23/95/1018362395.db2.gz PMMSDMUUVWINDF-IUCAKERBSA-N -1 0 321.337 -0.301 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)NC[C@](C)(O)CO ZINC001604376822 1018364564 /nfs/dbraw/zinc/36/45/64/1018364564.db2.gz SIPKPIMUBDKPJC-SDBXPKJASA-N -1 0 320.342 -0.786 20 0 DBADRM CC(C)(C)N1CCC[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])C1=O ZINC001604373457 1018364656 /nfs/dbraw/zinc/36/46/56/1018364656.db2.gz HATKKNXYYIJGNW-OTYXRUKQSA-N -1 0 300.355 -0.025 20 0 DBADRM CCOC(=O)CN(CC)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604376331 1018365149 /nfs/dbraw/zinc/36/51/49/1018365149.db2.gz UTGCKKOCYYQORP-MRVPVSSYSA-N -1 0 322.329 -0.569 20 0 DBADRM C[C@H](O)[C@H]1CN([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC001604379816 1018365188 /nfs/dbraw/zinc/36/51/88/1018365188.db2.gz IDFAQBRMGDUWGP-GMXVVIOVSA-N -1 0 314.382 -0.220 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC001604378606 1018366009 /nfs/dbraw/zinc/36/60/09/1018366009.db2.gz OIMWNMHBZDIHMX-VIFPVBQESA-N -1 0 324.337 -0.220 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001604378695 1018366111 /nfs/dbraw/zinc/36/61/11/1018366111.db2.gz PXYYZORFWAVLQR-KGLIPLIRSA-N -1 0 312.297 -0.376 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCSCC(=O)[O-] ZINC001604378335 1018366655 /nfs/dbraw/zinc/36/66/55/1018366655.db2.gz KSMZNIHEAUSPBK-XVKPBYJWSA-N -1 0 304.368 -0.804 20 0 DBADRM C[C@H](O)CN(C)C(=O)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001604387084 1018367478 /nfs/dbraw/zinc/36/74/78/1018367478.db2.gz RBJMAWWKDIFDLN-FIXISWKDSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](O)CN(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[C@@H](C)CO ZINC001604387387 1018367499 /nfs/dbraw/zinc/36/74/99/1018367499.db2.gz VLSGUFLJMVHVHW-LNFKQOIKSA-N -1 0 304.343 -0.751 20 0 DBADRM C[C@@H](O)C[C@H]1COCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001604384788 1018367732 /nfs/dbraw/zinc/36/77/32/1018367732.db2.gz XWQYUJFYMPAKJS-BDAKNGLRSA-N -1 0 318.351 -0.127 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001604386189 1018367819 /nfs/dbraw/zinc/36/78/19/1018367819.db2.gz CZWSCTDRISTHGM-SFYZADRCSA-N -1 0 300.315 -0.286 20 0 DBADRM C[C@H](O)[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCO1 ZINC001604380287 1018367870 /nfs/dbraw/zinc/36/78/70/1018367870.db2.gz KUPWJEYLSWYMTI-OIBJUYFYSA-N -1 0 304.324 -0.517 20 0 DBADRM C[C@@H](O)CN(C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1)[C@@H](C)CO ZINC001604387126 1018367904 /nfs/dbraw/zinc/36/79/04/1018367904.db2.gz RYDFUEKQFZHSDS-VHSXEESVSA-N -1 0 324.333 -0.087 20 0 DBADRM C[C@@H](O)CN(C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1)[C@H](C)CO ZINC001604387124 1018368886 /nfs/dbraw/zinc/36/88/86/1018368886.db2.gz RYDFUEKQFZHSDS-NXEZZACHSA-N -1 0 324.333 -0.087 20 0 DBADRM CC(C)N(C[C@@H](C)O)C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001604384962 1018368909 /nfs/dbraw/zinc/36/89/09/1018368909.db2.gz ZDCYHDNFUNYLNB-GMTAPVOTSA-N -1 0 300.355 -0.217 20 0 DBADRM COC(=O)c1ccc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)nc1 ZINC001604385044 1018369069 /nfs/dbraw/zinc/36/90/69/1018369069.db2.gz AVSOBGIVRHZMQM-JTQLQIEISA-N -1 0 307.262 -0.286 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1)C1CC1 ZINC001604384305 1018369313 /nfs/dbraw/zinc/36/93/13/1018369313.db2.gz QFZOFMMPTWPWIC-ONGXEEELSA-N -1 0 314.338 -0.940 20 0 DBADRM C[C@H](OC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)C(=O)[O-] ZINC001604392927 1018370849 /nfs/dbraw/zinc/37/08/49/1018370849.db2.gz NVMJDNMUSLNHDL-POYBYMJQSA-N -1 0 309.340 -0.464 20 0 DBADRM C[C@H](OC(=O)C(C)(C)S(=O)(=O)C1CC1)C(=O)NCC(=O)[O-] ZINC001604392674 1018370923 /nfs/dbraw/zinc/37/09/23/1018370923.db2.gz LVZJICFVTSDQLO-ZETCQYMHSA-N -1 0 321.351 -0.525 20 0 DBADRM COC(=O)c1ccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)nn1 ZINC001604391636 1018371115 /nfs/dbraw/zinc/37/11/15/1018371115.db2.gz WNKBPWDKZVYLDU-QMMMGPOBSA-N -1 0 310.266 -0.420 20 0 DBADRM C[C@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)NCC(=O)[O-] ZINC001604395900 1018371633 /nfs/dbraw/zinc/37/16/33/1018371633.db2.gz ALRNMRBVHLGVAO-YUMQZZPRSA-N -1 0 305.308 -0.933 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCC[C@@H](C(N)=O)C1)C(=O)NCC(=O)[O-] ZINC001604395914 1018371912 /nfs/dbraw/zinc/37/19/12/1018371912.db2.gz ARHVTXWLJFHUGF-YIZRAAEISA-N -1 0 300.311 -0.589 20 0 DBADRM C[C@H](O)CN(C(=O)CCCn1ccc(C(=O)[O-])n1)[C@@H](C)CO ZINC001604387629 1018372319 /nfs/dbraw/zinc/37/23/19/1018372319.db2.gz ZCGAEIVDMIILAU-QWRGUYRKSA-N -1 0 313.354 -0.048 20 0 DBADRM CCO[C@H](C)c1noc(Cn2cnc(-c3nnn[n-]3)cc2=O)n1 ZINC001604401400 1018372635 /nfs/dbraw/zinc/37/26/35/1018372635.db2.gz UWGVWQCNSFSCDU-SSDOTTSWSA-N -1 0 318.297 -0.048 20 0 DBADRM C[C@H](OC(=O)C(C)(C)N1CCOCC1)C(=O)NCC(=O)[O-] ZINC001604392969 1018372714 /nfs/dbraw/zinc/37/27/14/1018372714.db2.gz OHQGYDRFRQYABP-VIFPVBQESA-N -1 0 302.327 -0.770 20 0 DBADRM C[C@H](OC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)C(=O)[O-] ZINC001604401684 1018372764 /nfs/dbraw/zinc/37/27/64/1018372764.db2.gz JRWSPSGWZHBYDJ-ZETCQYMHSA-N -1 0 323.257 -0.270 20 0 DBADRM C[C@H](OC(=O)[C@H](C)OC[C@H]1CCCO1)C(=O)NCC(=O)[O-] ZINC001604393654 1018372780 /nfs/dbraw/zinc/37/27/80/1018372780.db2.gz SETKGZWOWJGPMP-LPEHRKFASA-N -1 0 303.311 -0.297 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001604411209 1018374169 /nfs/dbraw/zinc/37/41/69/1018374169.db2.gz UQMFDZIQIUOWAU-MRVPVSSYSA-N -1 0 312.278 -0.089 20 0 DBADRM COC(=O)c1cnn(CC(=O)Nc2cnn(CC(=O)[O-])c2)c1 ZINC001604403511 1018374235 /nfs/dbraw/zinc/37/42/35/1018374235.db2.gz RMIASMNKGWPQHB-UHFFFAOYSA-N -1 0 307.266 -0.411 20 0 DBADRM CCO[C@@H](Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O)C1CC1 ZINC001604405055 1018374790 /nfs/dbraw/zinc/37/47/90/1018374790.db2.gz SVKWDXXSJUYFMG-JTQLQIEISA-N -1 0 306.326 -0.458 20 0 DBADRM COC(=O)c1cn([C@H]2CCCN(C(=O)[C@@H](C)C(=O)[O-])C2)nn1 ZINC001604403195 1018375836 /nfs/dbraw/zinc/37/58/36/1018375836.db2.gz GLFHZORFMGPOPN-BDAKNGLRSA-N -1 0 310.310 -0.051 20 0 DBADRM C[C@H](OC(=O)CNC(=O)c1cccs1)C(=O)NCC(=O)[O-] ZINC001604402975 1018375956 /nfs/dbraw/zinc/37/59/56/1018375956.db2.gz ZTZLTJHKEFDRIH-ZETCQYMHSA-N -1 0 314.319 -0.390 20 0 DBADRM COC(=O)c1ccn(CC(=O)NC2(C(=O)[O-])CCOCC2)n1 ZINC001604403305 1018376031 /nfs/dbraw/zinc/37/60/31/1018376031.db2.gz JKCFUZNUVOZVHZ-UHFFFAOYSA-N -1 0 311.294 -0.580 20 0 DBADRM COC(=O)c1cn([C@@H]2CCCN(C(=O)[C@@H](C)C(=O)[O-])C2)nn1 ZINC001604403198 1018376042 /nfs/dbraw/zinc/37/60/42/1018376042.db2.gz GLFHZORFMGPOPN-RKDXNWHRSA-N -1 0 310.310 -0.051 20 0 DBADRM C[C@@H](OC(=O)c1cn(C)nn1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001604416490 1018376394 /nfs/dbraw/zinc/37/63/94/1018376394.db2.gz TYFWCVLMRQMUEI-MRVPVSSYSA-N -1 0 310.310 -0.316 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001604423163 1018376720 /nfs/dbraw/zinc/37/67/20/1018376720.db2.gz VNKPIJXVMSVZMX-HBNTYKKESA-N -1 0 312.326 -0.568 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001604421183 1018377592 /nfs/dbraw/zinc/37/75/92/1018377592.db2.gz HXRADXQHLZHORC-GHMZBOCLSA-N -1 0 313.354 -0.310 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001604423162 1018377901 /nfs/dbraw/zinc/37/79/01/1018377901.db2.gz VNKPIJXVMSVZMX-GARJFASQSA-N -1 0 312.326 -0.568 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)OC[C@H]1CCCO1)C(=O)[O-] ZINC001604423153 1018378538 /nfs/dbraw/zinc/37/85/38/1018378538.db2.gz VDEPVZMCIJQDTF-XWLWVQCSSA-N -1 0 316.354 -0.336 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC001604422631 1018378719 /nfs/dbraw/zinc/37/87/19/1018378719.db2.gz UBEXOSMETJVVBL-SECBINFHSA-N -1 0 305.352 -0.344 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N(CC(=O)N(C)C)CC(F)(F)F ZINC001604419617 1018378754 /nfs/dbraw/zinc/37/87/54/1018378754.db2.gz AUYYMVXFHUTMGN-ZETCQYMHSA-N -1 0 300.233 -0.435 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC001604424506 1018379347 /nfs/dbraw/zinc/37/93/47/1018379347.db2.gz QLQQXFPOEMEDIF-OUAUKWLOSA-N -1 0 301.339 -0.088 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC001604424851 1018379357 /nfs/dbraw/zinc/37/93/57/1018379357.db2.gz WEMGRYPUUHWGAZ-QWRGUYRKSA-N -1 0 313.331 -0.128 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1cccnc1N1CCOCC1 ZINC001604432204 1018380356 /nfs/dbraw/zinc/38/03/56/1018380356.db2.gz NKONXMNUVGWBHA-LLVKDONJSA-N -1 0 309.322 -0.366 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC001604433126 1018380382 /nfs/dbraw/zinc/38/03/82/1018380382.db2.gz CCHHUFISXPQVDW-HTQZYQBOSA-N -1 0 304.299 -0.247 20 0 DBADRM CCOCCONC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001604433959 1018381671 /nfs/dbraw/zinc/38/16/71/1018381671.db2.gz HNZHIKNPSBCFLJ-UHFFFAOYSA-N -1 0 308.298 -0.026 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCc2[nH]cnc2C12CCOCC2 ZINC001604424112 1018381982 /nfs/dbraw/zinc/38/19/82/1018381982.db2.gz MBNAALPTAGYRNK-JTQLQIEISA-N -1 0 309.322 -0.100 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1cc(-c2cccnc2)nn1CCO ZINC001604433112 1018382136 /nfs/dbraw/zinc/38/21/36/1018382136.db2.gz BQDSDINALCNITR-GFCCVEGCSA-N -1 0 320.305 -0.025 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC001604431546 1018382332 /nfs/dbraw/zinc/38/23/32/1018382332.db2.gz DBXUGDBNTNLSKM-GXFFZTMASA-N -1 0 318.395 -0.590 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001604459777 1018383068 /nfs/dbraw/zinc/38/30/68/1018383068.db2.gz ULUQXDHXXORMEY-XLPZGREQSA-N -1 0 300.340 -0.658 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC001604450383 1018383823 /nfs/dbraw/zinc/38/38/23/1018383823.db2.gz HJEZBFDMMPAVLB-BXKDBHETSA-N -1 0 322.383 -0.642 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001604458287 1018385396 /nfs/dbraw/zinc/38/53/96/1018385396.db2.gz ADTHOACVZVHESW-PRHODGIISA-N -1 0 314.367 -0.097 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC001604471285 1018386399 /nfs/dbraw/zinc/38/63/99/1018386399.db2.gz QCBJBUYIAMIFAZ-GMTAPVOTSA-N -1 0 316.354 -0.667 20 0 DBADRM CO[C@@]1(C(=O)Nc2cnn(CC(=O)[O-])c2)CCS(=O)(=O)C1 ZINC001604480933 1018386429 /nfs/dbraw/zinc/38/64/29/1018386429.db2.gz QLEJWCHWYPQCJO-NSHDSACASA-N -1 0 317.323 -0.890 20 0 DBADRM CO[C@@]1(C(=O)Nc2ccnc(C(=O)[O-])c2)CCS(=O)(=O)C1 ZINC001604481959 1018386595 /nfs/dbraw/zinc/38/65/95/1018386595.db2.gz ZTVLTMOCPBNVNA-LBPRGKRZSA-N -1 0 314.319 -0.078 20 0 DBADRM CO[C@@H](C)c1noc(CN(C)[C@H]2CCN(CC(=O)[O-])C2=O)n1 ZINC001604471704 1018386767 /nfs/dbraw/zinc/38/67/67/1018386767.db2.gz XJNUWRKUTWURMM-IUCAKERBSA-N -1 0 312.326 -0.106 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001604463373 1018388032 /nfs/dbraw/zinc/38/80/32/1018388032.db2.gz OQMBOJJTFKSTMM-LBPRGKRZSA-N -1 0 323.367 -0.814 20 0 DBADRM C[C@H](c1nc(N)nc(N(C)C)n1)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001604479614 1018388139 /nfs/dbraw/zinc/38/81/39/1018388139.db2.gz WGYADCVZXNCKOQ-HLTSFMKQSA-N -1 0 310.358 -0.652 20 0 DBADRM C[C@]1(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])CCC(=O)NC1 ZINC001604485482 1018388860 /nfs/dbraw/zinc/38/88/60/1018388860.db2.gz AQZZVNKGEWOZQM-OQPBUACISA-N -1 0 300.311 -0.765 20 0 DBADRM C[C@@]1(C(=O)NC[C@H](CO)Nc2ncc(C(=O)[O-])cn2)CCOC1 ZINC001604487581 1018389508 /nfs/dbraw/zinc/38/95/08/1018389508.db2.gz ZNPBDVNFELJEAV-QMTHXVAHSA-N -1 0 324.337 -0.510 20 0 DBADRM C[C@]1(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CCNC1=O ZINC001604485864 1018389854 /nfs/dbraw/zinc/38/98/54/1018389854.db2.gz PHSGTTGTJSUREH-OQPBUACISA-N -1 0 300.311 -0.765 20 0 DBADRM C[C@]1(C(=O)NCCCNc2ncc(C(=O)[O-])cn2)CCNC1=O ZINC001604487653 1018390007 /nfs/dbraw/zinc/39/00/07/1018390007.db2.gz ZZPJAZCWTCVFSV-CQSZACIVSA-N -1 0 321.337 -0.381 20 0 DBADRM CC1(C(=O)N2CCC(O)(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)CC1 ZINC001604485092 1018390462 /nfs/dbraw/zinc/39/04/62/1018390462.db2.gz YLRGKONDRCYIGQ-QWRGUYRKSA-N -1 0 324.377 -0.023 20 0 DBADRM CO[C@@]1(CNC(=O)[C@]2(C(=O)[O-])CC2(C)C)CCS(=O)(=O)C1 ZINC001604486882 1018390530 /nfs/dbraw/zinc/39/05/30/1018390530.db2.gz DVDXFBUMEYALOM-OLZOCXBDSA-N -1 0 319.379 -0.193 20 0 DBADRM CC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CC=CC1 ZINC001604484839 1018390702 /nfs/dbraw/zinc/39/07/02/1018390702.db2.gz TUPTVAQRMWRVDG-MNOVXSKESA-N -1 0 322.361 -0.247 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC001604489319 1018390749 /nfs/dbraw/zinc/39/07/49/1018390749.db2.gz CYDJWATYNJERHC-MEQWQQMJSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@@]1(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CCNC1=O ZINC001604485862 1018390834 /nfs/dbraw/zinc/39/08/34/1018390834.db2.gz PHSGTTGTJSUREH-ISVAXAHUSA-N -1 0 300.311 -0.765 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCCn2ccnc2)C1 ZINC001604490154 1018390949 /nfs/dbraw/zinc/39/09/49/1018390949.db2.gz OILCBMVNTOJMIT-AWEZNQCLSA-N -1 0 308.338 -0.287 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@]23CCOC3=O)C1 ZINC001604497529 1018391910 /nfs/dbraw/zinc/39/19/10/1018391910.db2.gz IWBAMZHWVKOKDL-HUUCEWRRSA-N -1 0 324.333 -0.382 20 0 DBADRM COC1(OC)CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C[C@H]1O ZINC001604491475 1018392157 /nfs/dbraw/zinc/39/21/57/1018392157.db2.gz AJXVBCXNQYACBV-SKDRFNHKSA-N -1 0 303.311 -0.798 20 0 DBADRM COC1(OC)CCN(C(=O)c2cnc(C(=O)[O-])cn2)C[C@H]1O ZINC001604491649 1018392283 /nfs/dbraw/zinc/39/22/83/1018392283.db2.gz HDYQRMGUSLTELV-SNVBAGLBSA-N -1 0 311.294 -0.629 20 0 DBADRM CO[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001604501057 1018392638 /nfs/dbraw/zinc/39/26/38/1018392638.db2.gz ODQXGNBMIBLHFK-SNVBAGLBSA-N -1 0 324.337 -0.066 20 0 DBADRM CC[C@@H]1OCC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604492078 1018392806 /nfs/dbraw/zinc/39/28/06/1018392806.db2.gz ALGDOFFFRHMUIN-RQJHMYQMSA-N -1 0 307.314 -0.355 20 0 DBADRM COC1(c2cnnn2C)CN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001604491619 1018393236 /nfs/dbraw/zinc/39/32/36/1018393236.db2.gz GDQSHBWZHXQWBK-UHFFFAOYSA-N -1 0 324.337 -0.620 20 0 DBADRM CO[C@@]1(C[NH2+]Cc2cc(C(=O)[O-])nn2C)CCS(=O)(=O)C1 ZINC001604492062 1018393378 /nfs/dbraw/zinc/39/33/78/1018393378.db2.gz XWXLYJJINLWBIY-GFCCVEGCSA-N -1 0 317.367 -0.588 20 0 DBADRM CC1(C)CC(=O)NCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001604512586 1018394976 /nfs/dbraw/zinc/39/49/76/1018394976.db2.gz UIVHYDTUPAHYEY-UHFFFAOYSA-N -1 0 316.339 -0.603 20 0 DBADRM CC1(C)C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CCO1 ZINC001604513702 1018395015 /nfs/dbraw/zinc/39/50/15/1018395015.db2.gz VJDIFTVVDZYCBR-ZJUUUORDSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCCN2CCOCC2)C1 ZINC001604501948 1018395284 /nfs/dbraw/zinc/39/52/84/1018395284.db2.gz LQWYFOUMZVNVHC-CYBMUJFWSA-N -1 0 320.411 -0.165 20 0 DBADRM COC[C@H](C)Cn1nnnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001604515117 1018395455 /nfs/dbraw/zinc/39/54/55/1018395455.db2.gz SCLSTWKDXOZZSF-GIPNMCIBSA-N -1 0 311.342 -0.507 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001604508382 1018395658 /nfs/dbraw/zinc/39/56/58/1018395658.db2.gz FPMJSZLCNZRGAG-QEYWKRMJSA-N -1 0 316.329 -0.155 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2COC[C@H]2C)C1 ZINC001604523095 1018396120 /nfs/dbraw/zinc/39/61/20/1018396120.db2.gz KKUGFJGQBZGVLP-RULNRJAQSA-N -1 0 314.338 -0.913 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccnc3n[nH]nc32)C1 ZINC001604535735 1018396386 /nfs/dbraw/zinc/39/63/86/1018396386.db2.gz KUZKXCXFCCBYDV-ZDUSSCGKSA-N -1 0 305.294 -0.084 20 0 DBADRM COC[C@H](O)c1nnc(N2CC[C@@](COC)(C(=O)[O-])C2)n1C ZINC001604524023 1018396513 /nfs/dbraw/zinc/39/65/13/1018396513.db2.gz ZLSKIYRLNLDUET-TVQRCGJNSA-N -1 0 314.342 -0.578 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)CO1 ZINC001604518499 1018396987 /nfs/dbraw/zinc/39/69/87/1018396987.db2.gz IOKJIEMKXHIZSP-JOYOIKCWSA-N -1 0 307.368 -0.035 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CO1 ZINC001604519538 1018397190 /nfs/dbraw/zinc/39/71/90/1018397190.db2.gz SPVRNBRLGPRVCZ-IUCAKERBSA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCc2nnc3n2CCC3)C1 ZINC001604533696 1018397415 /nfs/dbraw/zinc/39/74/15/1018397415.db2.gz QJIVPCLFWLSZPR-CQSZACIVSA-N -1 0 323.353 -0.143 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])CO1 ZINC001604520167 1018397770 /nfs/dbraw/zinc/39/77/70/1018397770.db2.gz ZAIANTSCWWHHAQ-RKDXNWHRSA-N -1 0 320.367 -0.841 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@]2(C)CCCS2(=O)=O)C1 ZINC001604522945 1018397896 /nfs/dbraw/zinc/39/78/96/1018397896.db2.gz IHSLDHCAMPKYAP-CHWSQXEVSA-N -1 0 319.379 -0.097 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](C)N2CCN(C)CC2)C1 ZINC001604523103 1018398169 /nfs/dbraw/zinc/39/81/69/1018398169.db2.gz KQHHITAMRICWEE-DOMZBBRYSA-N -1 0 313.398 -0.428 20 0 DBADRM CC1(C)NC(=O)N(CCN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C1=O ZINC001604553896 1018398706 /nfs/dbraw/zinc/39/87/06/1018398706.db2.gz IHVXRIGFWZRDBH-CQSZACIVSA-N -1 0 324.337 -0.378 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cnn(CCF)c2)CCO1 ZINC001604556532 1018398757 /nfs/dbraw/zinc/39/87/57/1018398757.db2.gz ARCQVLMNZOWZDI-CYBMUJFWSA-N -1 0 315.301 -0.205 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CO[C@H]2CCOC2)CCO1 ZINC001604551001 1018399085 /nfs/dbraw/zinc/39/90/85/1018399085.db2.gz NFLGJPUXYOJWON-GXFFZTMASA-N -1 0 303.311 -0.880 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CCO1 ZINC001604549488 1018399101 /nfs/dbraw/zinc/39/91/01/1018399101.db2.gz BRSUZPUEPQBQAY-MEBBXXQBSA-N -1 0 323.349 -0.157 20 0 DBADRM CC1(C)NC(=O)N(CCCC(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1=O ZINC001604554577 1018399123 /nfs/dbraw/zinc/39/91/23/1018399123.db2.gz LCYLLYYDGKLMKP-RKDXNWHRSA-N -1 0 311.338 -0.066 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)COC[C@@H]2CCCO2)CCO1 ZINC001604551265 1018399329 /nfs/dbraw/zinc/39/93/29/1018399329.db2.gz PRDBXSKWKBMVED-SMDDNHRTSA-N -1 0 317.338 -0.489 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1=O ZINC001604554165 1018399537 /nfs/dbraw/zinc/39/95/37/1018399537.db2.gz AUUCXZVWLJEVDN-LURJTMIESA-N -1 0 319.264 -0.362 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CCc2nc(C)no2)CCO1 ZINC001604552013 1018400008 /nfs/dbraw/zinc/40/00/08/1018400008.db2.gz ZRDQYDDERRBXCS-CYBMUJFWSA-N -1 0 313.310 -0.361 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@]2(O)CCSC2)CCO1 ZINC001604549118 1018400107 /nfs/dbraw/zinc/40/01/07/1018400107.db2.gz BIPBHVWISUZOTN-NEPJUHHUSA-N -1 0 305.352 -0.817 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NC[C@H](F)C(=O)OC)CCO1 ZINC001604550122 1018400329 /nfs/dbraw/zinc/40/03/29/1018400329.db2.gz IGMGXMPUUJFRPR-UFBFGSQYSA-N -1 0 322.289 -0.991 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)O1 ZINC001604560074 1018401648 /nfs/dbraw/zinc/40/16/48/1018401648.db2.gz NOKVIBLXBKJHSJ-UWVGGRQHSA-N -1 0 314.338 -0.423 20 0 DBADRM CC1(C)OC[C@H](/C=C/C(=O)N[C@H](Cn2cncn2)C(=O)[O-])O1 ZINC001604562393 1018401761 /nfs/dbraw/zinc/40/17/61/1018401761.db2.gz TVVMWXRCTKBFFC-FCVPOFOPSA-N -1 0 310.310 -0.445 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2nc(C3CC3)nn2C)CCO1 ZINC001604559297 1018401904 /nfs/dbraw/zinc/40/19/04/1018401904.db2.gz VXSKLLMMXJTODU-CQSZACIVSA-N -1 0 324.337 -0.365 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CC(=O)Nc2cnccn2)CCO1 ZINC001604557996 1018402314 /nfs/dbraw/zinc/40/23/14/1018402314.db2.gz KRHSBTWSGOWXSD-CYBMUJFWSA-N -1 0 310.310 -0.783 20 0 DBADRM CC1(C)OC[C@@H]2C[C@@]21NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001604560182 1018402418 /nfs/dbraw/zinc/40/24/18/1018402418.db2.gz PZTSFGHXIXQZOA-ISVAXAHUSA-N -1 0 309.326 -0.157 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H]2CC[C@H]2C(=O)OC)CCO1 ZINC001604558386 1018402425 /nfs/dbraw/zinc/40/24/25/1018402425.db2.gz WCESQPSXXJMHKL-IMSIIYSGSA-N -1 0 315.322 -0.486 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2coc(C(N)=O)c2)CCO1 ZINC001604557158 1018402697 /nfs/dbraw/zinc/40/26/97/1018402697.db2.gz DXBPPSFOJYCUNP-ZDUSSCGKSA-N -1 0 312.278 -0.679 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(S(=O)(=O)Cc2ccon2)CCO1 ZINC001604564386 1018403074 /nfs/dbraw/zinc/40/30/74/1018403074.db2.gz JTNLLQMVFHBWKA-NSHDSACASA-N -1 0 320.323 -0.694 20 0 DBADRM COC[C@@]1(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)CCOC1 ZINC001604566718 1018404218 /nfs/dbraw/zinc/40/42/18/1018404218.db2.gz BOIKZCSHLSDLJU-RNCFNFMXSA-N -1 0 301.295 -0.732 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2CC[C@H](C)F)CCO1 ZINC001604565443 1018404668 /nfs/dbraw/zinc/40/46/68/1018404668.db2.gz VHXJJRSHCLDFMZ-CABZTGNLSA-N -1 0 317.321 -0.272 20 0 DBADRM C[C@]1(C2CCN(C(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)NC(=O)NC1=O ZINC001604569415 1018405470 /nfs/dbraw/zinc/40/54/70/1018405470.db2.gz YBJWGRYEALWJJO-CEFVDNRUSA-N -1 0 323.349 -0.066 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nc(OC)cc(OC)n2)CCO1 ZINC001604565011 1018405509 /nfs/dbraw/zinc/40/55/09/1018405509.db2.gz PNTCQIUIATVHAU-ZDUSSCGKSA-N -1 0 313.310 -0.200 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC001604583906 1018406919 /nfs/dbraw/zinc/40/69/19/1018406919.db2.gz IVUAYGMOFPHDLH-JTQLQIEISA-N -1 0 324.337 -0.667 20 0 DBADRM CCc1nn(CC(=O)NC(C)=O)c(=O)c(-c2nnn[n-]2)c1CC ZINC001604577927 1018407391 /nfs/dbraw/zinc/40/73/91/1018407391.db2.gz HBQTWZOAMYVAJI-UHFFFAOYSA-N -1 0 319.325 -0.789 20 0 DBADRM C[C@]1(CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)CCC(=O)N1 ZINC001604580155 1018407977 /nfs/dbraw/zinc/40/79/77/1018407977.db2.gz CRBWRZGXFVGWOT-GFCCVEGCSA-N -1 0 313.335 -0.273 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)/C=C1\SCC(=O)N1C ZINC001604596801 1018408986 /nfs/dbraw/zinc/40/89/86/1018408986.db2.gz RUQLEPSGINCNJH-XFFZJAGNSA-N -1 0 302.352 -0.017 20 0 DBADRM C[C@@]1(NC(=O)c2cnon2)CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001604592538 1018409276 /nfs/dbraw/zinc/40/92/76/1018409276.db2.gz VLQXDTHAECVQTQ-CYBMUJFWSA-N -1 0 318.293 -0.043 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001604586641 1018409391 /nfs/dbraw/zinc/40/93/91/1018409391.db2.gz XPADICFHXFQMDP-PHIMTYICSA-N -1 0 324.333 -0.503 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@H]1COCCN1CC(F)F ZINC001604586585 1018410203 /nfs/dbraw/zinc/41/02/03/1018410203.db2.gz LZNWCSSMBIXCMF-SECBINFHSA-N -1 0 310.297 -0.488 20 0 DBADRM CC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CCN(C(=O)CC(N)=O)CC1 ZINC001604589419 1018410514 /nfs/dbraw/zinc/41/05/14/1018410514.db2.gz OOZYERIYSLUHRV-DTWKUNHWSA-N -1 0 311.338 -0.920 20 0 DBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC001604611556 1018411273 /nfs/dbraw/zinc/41/12/73/1018411273.db2.gz GIGSVXZZVLGVRF-RTXFEEFZSA-N -1 0 315.366 -0.030 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2CCO[C@@H]2C)c1=O ZINC001604601431 1018411605 /nfs/dbraw/zinc/41/16/05/1018411605.db2.gz USSOSTRPXNCAQZ-RKDXNWHRSA-N -1 0 306.326 -0.365 20 0 DBADRM C[C@]1(c2cccc(CNC(=O)CC(=O)[O-])c2)NC(=O)NC1=O ZINC001604599884 1018412988 /nfs/dbraw/zinc/41/29/88/1018412988.db2.gz DBAJKJASGFQPHX-CQSZACIVSA-N -1 0 305.290 -0.168 20 0 DBADRM COCCOCCn1nnnc1N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001604617364 1018414469 /nfs/dbraw/zinc/41/44/69/1018414469.db2.gz DOYZJJBPWPMOTA-WDEREUQCSA-N -1 0 313.358 -0.117 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)COCc1ocnc1C(=O)[O-] ZINC001604616575 1018414901 /nfs/dbraw/zinc/41/49/01/1018414901.db2.gz YIQGASYFVKIZHN-MRVPVSSYSA-N -1 0 324.293 -0.482 20 0 DBADRM CC1=C(C(=O)[O-])C[C@@H](Cn2cc(CN3CCNC(=O)C3)nn2)O1 ZINC001604613943 1018415676 /nfs/dbraw/zinc/41/56/76/1018415676.db2.gz SLKDXRDUPLWRPY-NSHDSACASA-N -1 0 321.337 -0.643 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cncnc1N(C)C ZINC001604628403 1018418008 /nfs/dbraw/zinc/41/80/08/1018418008.db2.gz ZOQHOSIPUOYQIP-DTWKUNHWSA-N -1 0 321.337 -0.197 20 0 DBADRM CC(=O)NC[C@H](NC(=O)c1c[n-]n2c1nccc2=O)C(C)C ZINC001500700965 1018417775 /nfs/dbraw/zinc/41/77/75/1018417775.db2.gz GUWFCJXSMTWTJL-NSHDSACASA-N -1 0 305.338 -0.087 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N(C)Cc1cn(C)nn1 ZINC001604624370 1018418267 /nfs/dbraw/zinc/41/82/67/1018418267.db2.gz QVGPBVQGARUADZ-SCZZXKLOSA-N -1 0 309.326 -0.905 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCN(C2CC2)CC1 ZINC001604625345 1018418506 /nfs/dbraw/zinc/41/85/06/1018418506.db2.gz XVLJJMJLLYEHAE-PWSUYJOCSA-N -1 0 309.366 -0.385 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCCc1cnn(C)c1 ZINC001604626987 1018418580 /nfs/dbraw/zinc/41/85/80/1018418580.db2.gz OCULXLINPZTUDY-CMPLNLGQSA-N -1 0 322.365 -0.210 20 0 DBADRM C[C@H]1CC(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001604647711 1018420185 /nfs/dbraw/zinc/42/01/85/1018420185.db2.gz UKPNIQLWLQCGQN-QMMMGPOBSA-N -1 0 313.335 -0.321 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(-n2cnnn2)cn1 ZINC001604635227 1018421105 /nfs/dbraw/zinc/42/11/05/1018421105.db2.gz UJHOMZMJSYIOEI-WCBMZHEXSA-N -1 0 302.294 -0.008 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001604640227 1018421204 /nfs/dbraw/zinc/42/12/04/1018421204.db2.gz VQASOTBNUPRPPG-RGOKHQFPSA-N -1 0 305.352 -0.347 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001604633901 1018421341 /nfs/dbraw/zinc/42/13/41/1018421341.db2.gz GZQSKZFQRBDSHV-HLTSFMKQSA-N -1 0 323.309 -0.678 20 0 DBADRM C[C@H]1C[C@H](C(=O)NC2(CC(=O)[O-])CCS(=O)(=O)CC2)CO1 ZINC001604648596 1018422001 /nfs/dbraw/zinc/42/20/01/1018422001.db2.gz UYLSCUMUNGDLDQ-UWVGGRQHSA-N -1 0 319.379 -0.050 20 0 DBADRM CON1CC[C@H](n2cc(CN3CCC[C@H]3C(=O)[O-])nn2)C1=O ZINC001604661718 1018422849 /nfs/dbraw/zinc/42/28/49/1018422849.db2.gz OVWYVRYXRKVXGY-QWRGUYRKSA-N -1 0 309.326 -0.338 20 0 DBADRM COCc1ncc(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)c(N)n1 ZINC001604651029 1018422973 /nfs/dbraw/zinc/42/29/73/1018422973.db2.gz AUYGRFUJHZXNOB-CYBMUJFWSA-N -1 0 310.310 -0.545 20 0 DBADRM CON(C(=O)CS[C@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)[O-] ZINC001604659026 1018423192 /nfs/dbraw/zinc/42/31/92/1018423192.db2.gz YTARZOFHJMBLFH-YUMQZZPRSA-N -1 0 311.381 -0.230 20 0 DBADRM CONC(=O)C1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001604661315 1018423337 /nfs/dbraw/zinc/42/33/37/1018423337.db2.gz JAAPLYGZPUPTSH-UHFFFAOYSA-N -1 0 314.338 -0.216 20 0 DBADRM CON(C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@H](C)C(=O)[O-] ZINC001604654476 1018423407 /nfs/dbraw/zinc/42/34/07/1018423407.db2.gz DMVADPUMKBWJEU-BBBLOLIVSA-N -1 0 310.306 -0.199 20 0 DBADRM CO[C@@]1(C)C[C@H]1NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001604669231 1018425339 /nfs/dbraw/zinc/42/53/39/1018425339.db2.gz SYTVGBQMLVBTCY-RULNRJAQSA-N -1 0 313.354 -0.071 20 0 DBADRM CO[C@@]1(C)C[C@H]1NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001604669230 1018426559 /nfs/dbraw/zinc/42/65/59/1018426559.db2.gz SYTVGBQMLVBTCY-RBZYPMLTSA-N -1 0 313.354 -0.071 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)Cn2cc(C(=O)[O-])cn2)CCS1(=O)=O ZINC001604672019 1018426562 /nfs/dbraw/zinc/42/65/62/1018426562.db2.gz GIMYSPCYJYHLKJ-WPRPVWTQSA-N -1 0 315.351 -0.337 20 0 DBADRM C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001604672797 1018427346 /nfs/dbraw/zinc/42/73/46/1018427346.db2.gz RPAHXEKEVIJZME-LOWDOPEQSA-N -1 0 312.366 -0.060 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C(=O)O1 ZINC001604677171 1018427575 /nfs/dbraw/zinc/42/75/75/1018427575.db2.gz RNQNKZWZGIKDFC-QOBXEIRBSA-N -1 0 312.322 -0.177 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CS1 ZINC001604672560 1018427728 /nfs/dbraw/zinc/42/77/28/1018427728.db2.gz ODZVMEMEGKLREN-KYXWUPHJSA-N -1 0 316.379 -0.303 20 0 DBADRM C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001604672799 1018427816 /nfs/dbraw/zinc/42/78/16/1018427816.db2.gz RPAHXEKEVIJZME-RVMXOQNASA-N -1 0 312.366 -0.060 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)NCCn2cc(C(=O)[O-])nn2)c2ncnn21 ZINC001604677257 1018427826 /nfs/dbraw/zinc/42/78/26/1018427826.db2.gz SIPXCVOXBMSDLV-SFYZADRCSA-N -1 0 320.313 -0.427 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CS1 ZINC001604672562 1018428260 /nfs/dbraw/zinc/42/82/60/1018428260.db2.gz ODZVMEMEGKLREN-RGOKHQFPSA-N -1 0 316.379 -0.303 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)[C@@H](C)O1 ZINC001604672228 1018428278 /nfs/dbraw/zinc/42/82/78/1018428278.db2.gz ILIQZQUSGZEAOO-ILAIQSSSSA-N -1 0 314.338 -0.631 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@@H](C)C2)C[C@@H](C(=O)[O-])O1 ZINC001604673974 1018428560 /nfs/dbraw/zinc/42/85/60/1018428560.db2.gz ZLZZDBTTWMNOJS-ZDCRXTMVSA-N -1 0 314.338 -0.629 20 0 DBADRM COc1cc(-c2noc(CN[C@@]3(C(=O)[O-])CCOC3)n2)ncn1 ZINC001604680024 1018430070 /nfs/dbraw/zinc/43/00/70/1018430070.db2.gz HEXIAQDOQLTMHP-ZDUSSCGKSA-N -1 0 321.293 -0.132 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@H]1CCO ZINC001604733917 1018437281 /nfs/dbraw/zinc/43/72/81/1018437281.db2.gz JZYGMUKHPHWFAH-UTLUCORTSA-N -1 0 304.318 -0.465 20 0 DBADRM COc1cc(C(=O)OCC(=O)NCC(=O)[O-])c(F)cc1N ZINC001604692477 1018430447 /nfs/dbraw/zinc/43/04/47/1018430447.db2.gz VIFJWZNZOVJTOF-UHFFFAOYSA-N -1 0 300.242 -0.226 20 0 DBADRM C[C@@H]1C[C@H]1CNC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001604688316 1018430776 /nfs/dbraw/zinc/43/07/76/1018430776.db2.gz IZCVYBHBFUYNKA-DZHLUBAWSA-N -1 0 310.350 -0.292 20 0 DBADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001604682553 1018431553 /nfs/dbraw/zinc/43/15/53/1018431553.db2.gz DNGXKNCTKXGYLF-BSKUUZOQSA-N -1 0 324.377 -0.311 20 0 DBADRM CN(C)c1nc(N)nc(COc2cnc(-c3nnn[n-]3)nc2)n1 ZINC001604705321 1018433474 /nfs/dbraw/zinc/43/34/74/1018433474.db2.gz MKGDPIRJTAXRAZ-UHFFFAOYSA-N -1 0 315.301 -0.931 20 0 DBADRM C[C@@H]1CCC[C@H](Cn2nnnc2N2CCO[C@@H](C(=O)[O-])C2)O1 ZINC001604717390 1018433671 /nfs/dbraw/zinc/43/36/71/1018433671.db2.gz UCJUQGPELKGURB-GMTAPVOTSA-N -1 0 311.342 -0.080 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)NCCOCC(=O)[O-])CS1(=O)=O ZINC001604703254 1018434412 /nfs/dbraw/zinc/43/44/12/1018434412.db2.gz HNERGCLUUJZLBB-IUCAKERBSA-N -1 0 308.356 -0.648 20 0 DBADRM C[C@H]1CCN(C(=O)C2=NN(CCO)C(=O)CC2)[C@H](C(=O)[O-])C1 ZINC001604741349 1018435482 /nfs/dbraw/zinc/43/54/82/1018435482.db2.gz IUUQUMAYROWKAT-ONGXEEELSA-N -1 0 311.338 -0.331 20 0 DBADRM CC(C)C(=O)NC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001500741980 1018435660 /nfs/dbraw/zinc/43/56/60/1018435660.db2.gz JEEMBHVXXAPERC-VIFPVBQESA-N -1 0 313.358 -0.398 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001604739506 1018436598 /nfs/dbraw/zinc/43/65/98/1018436598.db2.gz BXWCGYSAULVNRG-UWVGGRQHSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1 ZINC001604733707 1018436713 /nfs/dbraw/zinc/43/67/13/1018436713.db2.gz GPELEQCUWLYPMK-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@@H](F)C2)C[C@@H](C(=O)[O-])O1 ZINC001604742232 1018437087 /nfs/dbraw/zinc/43/70/87/1018437087.db2.gz SGAOBSZTYOAFJO-VLEAKVRGSA-N -1 0 316.329 -0.107 20 0 DBADRM C[C@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@H](C(=O)[O-])C1 ZINC001604748598 1018438700 /nfs/dbraw/zinc/43/87/00/1018438700.db2.gz DVUIULKZZJETHL-ONGXEEELSA-N -1 0 323.353 -0.308 20 0 DBADRM C[C@H]1CCN(Cc2cn(CC(=O)[O-])nn2)CCS1(=O)=O ZINC001604757555 1018438721 /nfs/dbraw/zinc/43/87/21/1018438721.db2.gz VXSLMIUCYZEOEG-VIFPVBQESA-N -1 0 302.356 -0.628 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CCS1(=O)=O ZINC001604743677 1018438950 /nfs/dbraw/zinc/43/89/50/1018438950.db2.gz AEMRBZAAXMEZHG-SECBINFHSA-N -1 0 315.351 -0.383 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001604761387 1018442325 /nfs/dbraw/zinc/44/23/25/1018442325.db2.gz VLTRULKNVUAZIB-QCLAVDOMSA-N -1 0 304.368 -0.316 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)CC[S@@]1=O ZINC001604760937 1018442556 /nfs/dbraw/zinc/44/25/56/1018442556.db2.gz PBZLAWVOFRROLX-IIYDVTGLSA-N -1 0 322.364 -0.096 20 0 DBADRM C[C@H]1CCn2cc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])nc2C1 ZINC001604767278 1018442931 /nfs/dbraw/zinc/44/29/31/1018442931.db2.gz SLVZIHDZVLWAAL-GXSJLCMTSA-N -1 0 320.349 -0.119 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])[C@H](C)CO1 ZINC001604769194 1018442985 /nfs/dbraw/zinc/44/29/85/1018442985.db2.gz PMFDLWYGXUFEGF-GWOFURMSSA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@H]1CN(C(=O)CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCO1 ZINC001604770757 1018444055 /nfs/dbraw/zinc/44/40/55/1018444055.db2.gz WDXXQUHEBMJNQP-WDEREUQCSA-N -1 0 323.353 -0.530 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C(C)(C)C1 ZINC001604770014 1018444170 /nfs/dbraw/zinc/44/41/70/1018444170.db2.gz WHNIBHXVXGOVDA-GARJFASQSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C[C@@H](C)C1O ZINC001604770203 1018444398 /nfs/dbraw/zinc/44/43/98/1018444398.db2.gz XSLXLAJMVTYKRA-NXEZZACHSA-N -1 0 312.366 -0.215 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)CCCF ZINC001604773909 1018444472 /nfs/dbraw/zinc/44/44/72/1018444472.db2.gz LQIKTPPSQCCZTF-UHFFFAOYSA-N -1 0 308.321 -0.301 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])[C@@H](C)CO1 ZINC001604769201 1018444789 /nfs/dbraw/zinc/44/47/89/1018444789.db2.gz PMFDLWYGXUFEGF-LNFKQOIKSA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@@H]1CCn2ncc(C(=O)N3CC(=O)N(C)C[C@@H]3C(=O)[O-])c2C1 ZINC001604769588 1018444920 /nfs/dbraw/zinc/44/49/20/1018444920.db2.gz VCMHSHAFPHMDSU-BXKDBHETSA-N -1 0 320.349 -0.167 20 0 DBADRM C[C@@H]1CCn2ncc(C(=O)N3CC(=O)N(C)C[C@H]3C(=O)[O-])c2C1 ZINC001604769591 1018445088 /nfs/dbraw/zinc/44/50/88/1018445088.db2.gz VCMHSHAFPHMDSU-SKDRFNHKSA-N -1 0 320.349 -0.167 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C[C@]1(C)CO ZINC001604769672 1018445936 /nfs/dbraw/zinc/44/59/36/1018445936.db2.gz OFWFUONRHFYVPM-UEKVPHQBSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])[C@@H](C)CO1 ZINC001604777484 1018447982 /nfs/dbraw/zinc/44/79/82/1018447982.db2.gz WUOJJPDMUNMDBL-UWVGGRQHSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)C[C@H](C)S1(=O)=O ZINC001604774672 1018448143 /nfs/dbraw/zinc/44/81/43/1018448143.db2.gz AHOZJEGKLDAYQN-DTORHVGOSA-N -1 0 315.351 -0.385 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)CCN1CCC(=O)[O-] ZINC001604780657 1018448630 /nfs/dbraw/zinc/44/86/30/1018448630.db2.gz HVIQUXRWRAACPS-SNVBAGLBSA-N -1 0 308.338 -0.104 20 0 DBADRM CN(CCOCCO)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604782217 1018448654 /nfs/dbraw/zinc/44/86/54/1018448654.db2.gz AZMRRMDRRBTRDR-UHFFFAOYSA-N -1 0 317.327 -0.911 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC[S@](=O)C1 ZINC001604775000 1018448774 /nfs/dbraw/zinc/44/87/74/1018448774.db2.gz DLTKHIRYVRYPCI-CQKQYIJZSA-N -1 0 318.395 -0.114 20 0 DBADRM C[C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1Nc1ccnc(C(=O)[O-])n1 ZINC001604784544 1018448903 /nfs/dbraw/zinc/44/89/03/1018448903.db2.gz ZTTJMENMOFGCPT-WCBMZHEXSA-N -1 0 316.321 -0.108 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)[C@@H]1CCOC1 ZINC001604793599 1018450709 /nfs/dbraw/zinc/45/07/09/1018450709.db2.gz BJMOWHLSTACHGG-WDEREUQCSA-N -1 0 306.384 -0.414 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)NCC1(C)CC1 ZINC001604788455 1018451028 /nfs/dbraw/zinc/45/10/28/1018451028.db2.gz MPXBDIVMGDZYJC-NSHDSACASA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)N[C@H]1CC1(C)C ZINC001604789738 1018451170 /nfs/dbraw/zinc/45/11/70/1018451170.db2.gz XXZCEVKOWZXBER-MNOVXSKESA-N -1 0 311.382 -0.092 20 0 DBADRM C[C@H]1CN(CCC(=O)N(C)CC(=O)[O-])CCS(=O)(=O)C1 ZINC001604789787 1018451630 /nfs/dbraw/zinc/45/16/30/1018451630.db2.gz YPQZVOULHRKSQS-JTQLQIEISA-N -1 0 306.384 -0.714 20 0 DBADRM C[C@@H]1CN(CCN2CCS(=O)(=O)C[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC001604797278 1018453008 /nfs/dbraw/zinc/45/30/08/1018453008.db2.gz VAWKWIPDFHKQFU-TUAOUCFPSA-N -1 0 320.411 -0.721 20 0 DBADRM C[C@@H]1COCC[C@@H]1S(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001604820009 1018455479 /nfs/dbraw/zinc/45/54/79/1018455479.db2.gz MRMFUSIGCSBVQU-ZNSHCXBVSA-N -1 0 307.368 -0.349 20 0 DBADRM C[C@@H]1COCC[C@H]1S(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC001604820443 1018455750 /nfs/dbraw/zinc/45/57/50/1018455750.db2.gz QYINQKXORCOJSX-GHMZBOCLSA-N -1 0 306.384 -0.557 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C[C@H](CO)O1 ZINC001604807581 1018456725 /nfs/dbraw/zinc/45/67/25/1018456725.db2.gz ALNAMAQNFFJWDM-PSASIEDQSA-N -1 0 316.335 -0.450 20 0 DBADRM C[C@@H]1CNc2c(C(=O)Nc3n[nH]c(CC(=O)[O-])n3)cnn2C1 ZINC001604815019 1018456800 /nfs/dbraw/zinc/45/68/00/1018456800.db2.gz NWGIPJWDRKKARU-ZCFIWIBFSA-N -1 0 305.298 -0.058 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@@]1(C)CO ZINC001604808398 1018456911 /nfs/dbraw/zinc/45/69/11/1018456911.db2.gz VGDXNHZNFLPWRI-CABZTGNLSA-N -1 0 317.367 -0.393 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCN2CCOC[C@H]2C)O[C@H]1C(=O)[O-] ZINC001604819354 1018457088 /nfs/dbraw/zinc/45/70/88/1018457088.db2.gz DJGXQXVPBWUXQY-DDHJBXDOSA-N -1 0 300.355 -0.299 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCCN1CN1C[C@H](C(=O)[O-])CC1=O ZINC001604823086 1018458729 /nfs/dbraw/zinc/45/87/29/1018458729.db2.gz HYGNDLQQMDYMMO-NXEZZACHSA-N -1 0 304.368 -0.614 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001604828544 1018458864 /nfs/dbraw/zinc/45/88/64/1018458864.db2.gz WHXKOSAFBSXMSZ-XHNCKOQMSA-N -1 0 304.368 -0.222 20 0 DBADRM C[C@@H]1OCC[C@@H]1N(CCO)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001604836811 1018458897 /nfs/dbraw/zinc/45/88/97/1018458897.db2.gz YXIXSSNNWSUTOR-UWVGGRQHSA-N -1 0 309.384 -0.101 20 0 DBADRM C[C@@H]1NC(=O)N(CC[N@@H+]2CCSC[C@H]2CC(=O)[O-])C1=O ZINC001604831612 1018458926 /nfs/dbraw/zinc/45/89/26/1018458926.db2.gz HPSMPQHOKHBAQZ-DTWKUNHWSA-N -1 0 301.368 -0.181 20 0 DBADRM C[C@@H]1OCC[C@@]12CN(S(=O)(=O)N(C)CCC(=O)[O-])CCO2 ZINC001604835322 1018459505 /nfs/dbraw/zinc/45/95/05/1018459505.db2.gz RTQNFWGTUSLGSQ-CMPLNLGQSA-N -1 0 322.383 -0.483 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](C(=O)[O-])c1ccn(C)n1 ZINC001604833688 1018459786 /nfs/dbraw/zinc/45/97/86/1018459786.db2.gz DUQUEIWYBQKAOB-HGNGGELXSA-N -1 0 303.340 -0.357 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001604824280 1018459796 /nfs/dbraw/zinc/45/97/96/1018459796.db2.gz XIYGPHPYCJGFBR-SNVBAGLBSA-N -1 0 316.325 -0.144 20 0 DBADRM C[C@@H]1SCC[C@H]1NC(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001604842231 1018460768 /nfs/dbraw/zinc/46/07/68/1018460768.db2.gz PWBNHGQUPQGSLH-SGIHWFKDSA-N -1 0 316.379 -0.398 20 0 DBADRM C[C@@H]1OCC[C@@]1(C)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604836936 1018461690 /nfs/dbraw/zinc/46/16/90/1018461690.db2.gz YMIZTBIDLGIQQL-TVQRCGJNSA-N -1 0 301.343 -0.166 20 0 DBADRM C[C@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)CCC(N)=O ZINC001604839835 1018462044 /nfs/dbraw/zinc/46/20/44/1018462044.db2.gz ZRFUPNHPDJXBLK-HTQZYQBOSA-N -1 0 317.367 -0.867 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604860160 1018467478 /nfs/dbraw/zinc/46/74/78/1018467478.db2.gz SDVLGJBKPZDCOA-DTWKUNHWSA-N -1 0 323.353 -0.572 20 0 DBADRM COc1cccc(C[C@H](O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC001604862950 1018469200 /nfs/dbraw/zinc/46/92/00/1018469200.db2.gz JFUDGVINNAKIHB-STQMWFEESA-N -1 0 309.318 -0.089 20 0 DBADRM CCC(=O)N1CCCC[C@@H]1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001604860259 1018469582 /nfs/dbraw/zinc/46/95/82/1018469582.db2.gz PJHZWHSUPVZMQO-LLVKDONJSA-N -1 0 323.353 -0.116 20 0 DBADRM CCC(=O)N[C@H](CCSC)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001604859840 1018469776 /nfs/dbraw/zinc/46/97/76/1018469776.db2.gz OILLHYXSDSCMJY-MRVPVSSYSA-N -1 0 304.368 -0.708 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC001604873013 1018470756 /nfs/dbraw/zinc/47/07/56/1018470756.db2.gz FGHLJITUDKLLFV-IVZWLZJFSA-N -1 0 305.352 -0.488 20 0 DBADRM CC[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-])[C@H](C)O ZINC001604867698 1018470836 /nfs/dbraw/zinc/47/08/36/1018470836.db2.gz BDFYBARDVOWFJR-GUBZILKMSA-N -1 0 307.368 -0.506 20 0 DBADRM CNC(=O)[C@H](O)CNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001604874045 1018471575 /nfs/dbraw/zinc/47/15/75/1018471575.db2.gz QWNYKTVBLJVHNN-GSVOUGTGSA-N -1 0 303.735 -0.505 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC001604881491 1018474245 /nfs/dbraw/zinc/47/42/45/1018474245.db2.gz KRLLOZACXBJIGV-RKDXNWHRSA-N -1 0 300.311 -0.493 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 ZINC001604879249 1018474692 /nfs/dbraw/zinc/47/46/92/1018474692.db2.gz OUEUTYQSOHJMMX-JTQLQIEISA-N -1 0 307.306 -0.049 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001604875654 1018474784 /nfs/dbraw/zinc/47/47/84/1018474784.db2.gz AGWNMQHJRGXKAP-UWVGGRQHSA-N -1 0 318.337 -0.070 20 0 DBADRM COc1cncc(N2CCN(C(=O)[C@@H](OC)C(=O)[O-])CC2)c1 ZINC001604900317 1018480341 /nfs/dbraw/zinc/48/03/41/1018480341.db2.gz JZBUUEGKPLIDJB-GFCCVEGCSA-N -1 0 309.322 -0.162 20 0 DBADRM COc1cncc(N2CCN(C(=O)[C@H](OC)C(=O)[O-])CC2)c1 ZINC001604900318 1018482110 /nfs/dbraw/zinc/48/21/10/1018482110.db2.gz JZBUUEGKPLIDJB-LBPRGKRZSA-N -1 0 309.322 -0.162 20 0 DBADRM COc1coc(Cn2cc(CN(C)CC(=O)[O-])nn2)cc1=O ZINC001604906272 1018483240 /nfs/dbraw/zinc/48/32/40/1018483240.db2.gz JLRIIKKIUGXSQF-UHFFFAOYSA-N -1 0 308.294 -0.195 20 0 DBADRM CS(=O)(=O)C1CN(C(=O)C2(C(=O)[O-])CCSCC2)C1 ZINC001604914308 1018484231 /nfs/dbraw/zinc/48/42/31/1018484231.db2.gz SLXLKYRMPRKFRT-UHFFFAOYSA-N -1 0 307.393 -0.160 20 0 DBADRM CC[C@](C)(NS(=O)(=O)c1cncc(C(=O)[O-])c1)C(N)=O ZINC001604914482 1018484961 /nfs/dbraw/zinc/48/49/61/1018484961.db2.gz ODOAWIOXNDOGTQ-NSHDSACASA-N -1 0 301.324 -0.288 20 0 DBADRM CC[C@](C)(NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001604911009 1018485139 /nfs/dbraw/zinc/48/51/39/1018485139.db2.gz FRNQCQGUSSBGBX-KRTXAFLBSA-N -1 0 311.298 -0.630 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)NCc2ccccc2C(=O)[O-])C1 ZINC001604921124 1018488639 /nfs/dbraw/zinc/48/86/39/1018488639.db2.gz KILHTHBNFWTHGN-UHFFFAOYSA-N -1 0 312.347 -0.108 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001604927827 1018489412 /nfs/dbraw/zinc/48/94/12/1018489412.db2.gz WJYILKTYBRSSPX-VIFPVBQESA-N -1 0 320.367 -0.982 20 0 DBADRM CS(=O)(=O)NCC1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC001604927147 1018489708 /nfs/dbraw/zinc/48/97/08/1018489708.db2.gz CINRXJKNUOBRHB-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC001604927831 1018490040 /nfs/dbraw/zinc/49/00/40/1018490040.db2.gz WUCIGPPIDFDQFM-OPRDCNLKSA-N -1 0 304.368 -0.363 20 0 DBADRM COC(=O)[C@H]1CCN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001604926408 1018490293 /nfs/dbraw/zinc/49/02/93/1018490293.db2.gz AALXABJJYISEDC-SECBINFHSA-N -1 0 303.278 -0.040 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@@]2(CNC(=O)C2)C1)C(=O)[O-] ZINC001604929689 1018490589 /nfs/dbraw/zinc/49/05/89/1018490589.db2.gz YBGHELSIEGISMU-PSOPSSQASA-N -1 0 311.382 -0.186 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1cc(S(C)(=O)=O)cn1)C(=O)[O-] ZINC001604937314 1018493022 /nfs/dbraw/zinc/49/30/22/1018493022.db2.gz RKSGIAYTGDRHFO-KWQFWETISA-N -1 0 317.367 -0.098 20 0 DBADRM CS(=O)(=O)c1nccc(C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001604943184 1018495096 /nfs/dbraw/zinc/49/50/96/1018495096.db2.gz GPWBCHGGDXTKHY-UHFFFAOYSA-N -1 0 313.335 -0.183 20 0 DBADRM CSCCCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001604958779 1018495164 /nfs/dbraw/zinc/49/51/64/1018495164.db2.gz LRHWBHXGNXDEBC-VIFPVBQESA-N -1 0 304.368 -0.442 20 0 DBADRM CC[C@H](C)C[C@@H](NS(=O)(=O)N1CCN(C)CC1)C(=O)[O-] ZINC001604954292 1018496428 /nfs/dbraw/zinc/49/64/28/1018496428.db2.gz CZOBPEPGDHHRKK-WDEREUQCSA-N -1 0 307.416 -0.042 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001604944033 1018496745 /nfs/dbraw/zinc/49/67/45/1018496745.db2.gz RLCHLKMSPLKQBB-ZSEKCTLFSA-N -1 0 318.395 -0.857 20 0 DBADRM CC[C@H](C)C[C@H](NS(=O)(=O)N1CCN(C)CC1)C(=O)[O-] ZINC001604954291 1018496969 /nfs/dbraw/zinc/49/69/69/1018496969.db2.gz CZOBPEPGDHHRKK-QWRGUYRKSA-N -1 0 307.416 -0.042 20 0 DBADRM CSc1nc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc(=O)[nH]1 ZINC001604971224 1018499059 /nfs/dbraw/zinc/49/90/59/1018499059.db2.gz PDQQQENZMAHEMW-SSDOTTSWSA-N -1 0 312.307 -0.250 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC001604963131 1018499668 /nfs/dbraw/zinc/49/96/68/1018499668.db2.gz BMFJRWQPGGVQEI-MRVPVSSYSA-N -1 0 323.353 -0.355 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)C1(S(N)(=O)=O)CC1 ZINC001604986588 1018500953 /nfs/dbraw/zinc/50/09/53/1018500953.db2.gz WEFJPRBTCGCJBR-UHFFFAOYSA-N -1 0 321.351 -0.189 20 0 DBADRM C[C@@H](c1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1)N(C)C ZINC001604998593 1018501058 /nfs/dbraw/zinc/50/10/58/1018501058.db2.gz LFIUCDJVYBSPNA-LURJTMIESA-N -1 0 309.282 -0.294 20 0 DBADRM C[C@@H](NC(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)C(=O)[O-] ZINC001604988830 1018501175 /nfs/dbraw/zinc/50/11/75/1018501175.db2.gz AYQAJJFBICSMAT-MRVPVSSYSA-N -1 0 322.321 -0.162 20 0 DBADRM CO[C@@H](C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1)C(C)C ZINC001604993623 1018502263 /nfs/dbraw/zinc/50/22/63/1018502263.db2.gz KMUQJFNACWNWKN-SNVBAGLBSA-N -1 0 320.357 -0.722 20 0 DBADRM COC(C)(C)[C@@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604995026 1018502400 /nfs/dbraw/zinc/50/24/00/1018502400.db2.gz AZEUTDURYNYLTC-HTQZYQBOSA-N -1 0 308.346 -0.051 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001605011391 1018506719 /nfs/dbraw/zinc/50/67/19/1018506719.db2.gz MWXHGZNEKMKBRV-FWMBLBRJSA-N -1 0 313.401 -0.257 20 0 DBADRM CC(C)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CCC1 ZINC001500886684 1018503485 /nfs/dbraw/zinc/50/34/85/1018503485.db2.gz OEROKTUDDBIRJB-SECBINFHSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001605019106 1018510660 /nfs/dbraw/zinc/51/06/60/1018510660.db2.gz YPCDMBNIVJUHAD-BREBYQMCSA-N -1 0 318.395 -0.115 20 0 DBADRM CC[C@@H](CNC(=O)C(F)(F)C(=O)N1CCOCC1)C(=O)[O-] ZINC001605026888 1018510988 /nfs/dbraw/zinc/51/09/88/1018510988.db2.gz NPFLCGDJKRSDSM-QMMMGPOBSA-N -1 0 308.281 -0.293 20 0 DBADRM CC[C@@H](CNC(=O)Nc1ccc(=O)n(CC(N)=O)c1)C(=O)[O-] ZINC001605035322 1018511957 /nfs/dbraw/zinc/51/19/57/1018511957.db2.gz XVFIRDIZBRMUBW-QMMMGPOBSA-N -1 0 310.310 -0.434 20 0 DBADRM CC(C)[C@@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001500913562 1018512284 /nfs/dbraw/zinc/51/22/84/1018512284.db2.gz QOSMHIPPSVSCHY-XHNCKOQMSA-N -1 0 323.353 -0.191 20 0 DBADRM CC[C@H](CNC(=O)Cn1cccn1)Nc1ccnc(C(=O)[O-])n1 ZINC001605033873 1018512875 /nfs/dbraw/zinc/51/28/75/1018512875.db2.gz YIDYDJVAFGHZSK-SNVBAGLBSA-N -1 0 318.337 -0.200 20 0 DBADRM C[C@@H]1[C@H](NC(=O)C2(CC(=O)[O-])CCOCC2)CCS1(=O)=O ZINC001605034065 1018513373 /nfs/dbraw/zinc/51/33/73/1018513373.db2.gz AQNOIDLFNHZVKL-NXEZZACHSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H]1CCC[C@@H](C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001500911995 1018513401 /nfs/dbraw/zinc/51/34/01/1018513401.db2.gz FFJHOQJNABOONR-GHMZBOCLSA-N -1 0 323.397 -0.001 20 0 DBADRM COCC(=O)NCC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001605039341 1018513626 /nfs/dbraw/zinc/51/36/26/1018513626.db2.gz FLJZQNVEWLBMJR-QMMMGPOBSA-N -1 0 306.330 -0.968 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001605041309 1018516240 /nfs/dbraw/zinc/51/62/40/1018516240.db2.gz DRALAIDTGQPWJU-ZJUUUORDSA-N -1 0 319.383 -0.213 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001605041451 1018516620 /nfs/dbraw/zinc/51/66/20/1018516620.db2.gz LBXDZSMTFRODBY-ZETCQYMHSA-N -1 0 303.340 -0.230 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001605041306 1018516890 /nfs/dbraw/zinc/51/68/90/1018516890.db2.gz DRALAIDTGQPWJU-NXEZZACHSA-N -1 0 319.383 -0.213 20 0 DBADRM C[C@H](NC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)C(=O)[O-] ZINC001605041029 1018517007 /nfs/dbraw/zinc/51/70/07/1018517007.db2.gz JBRZFIJDAMHGAF-JTQLQIEISA-N -1 0 322.317 -0.041 20 0 DBADRM CC[C@H](COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC001605046306 1018518200 /nfs/dbraw/zinc/51/82/00/1018518200.db2.gz CIQMCEBLYDEQNA-VUHVRTRXSA-N -1 0 310.306 -0.249 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@H]1CC[C@@H](C(=O)OC)O1)C(=O)[O-] ZINC001605050112 1018518306 /nfs/dbraw/zinc/51/83/06/1018518306.db2.gz QYDHRVZWMJHTCV-ZDMBXUJBSA-N -1 0 303.311 -0.297 20 0 DBADRM CC[C@H](COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC001605046302 1018518378 /nfs/dbraw/zinc/51/83/78/1018518378.db2.gz CIQMCEBLYDEQNA-SSJHQANKSA-N -1 0 310.306 -0.249 20 0 DBADRM CC[C@](COC)(NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-] ZINC001605050607 1018518447 /nfs/dbraw/zinc/51/84/47/1018518447.db2.gz UYWNFUGONJAMRJ-LKFCYVNXSA-N -1 0 310.354 -0.084 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@H]1CN(C(C)=O)CCO1)C(=O)[O-] ZINC001605046840 1018518459 /nfs/dbraw/zinc/51/84/59/1018518459.db2.gz GPGIHBBNSUAHSV-MFKMUULPSA-N -1 0 302.327 -0.770 20 0 DBADRM CC[C@](COC)(NC(=O)[C@@H]1CCN=C2C1=NNN2C)C(=O)[O-] ZINC001605048349 1018518576 /nfs/dbraw/zinc/51/85/76/1018518576.db2.gz LCWZQLWTZMJPST-AMIZOPFISA-N -1 0 311.342 -0.793 20 0 DBADRM CC[C@](COC)(NC(=O)c1cc(C(=O)OC)nn1C)C(=O)[O-] ZINC001605047591 1018518812 /nfs/dbraw/zinc/51/88/12/1018518812.db2.gz CNWPTYPKIXNHEU-CYBMUJFWSA-N -1 0 313.310 -0.184 20 0 DBADRM C[C@@H]1CN(CCN(C)C(=O)[C@H]2CC(C(=O)[O-])=NO2)C[C@H](C)O1 ZINC001605063648 1018519408 /nfs/dbraw/zinc/51/94/08/1018519408.db2.gz WSCIUDPDEFHKLI-JFGNBEQYSA-N -1 0 313.354 -0.217 20 0 DBADRM CC[C@@H](NC(=O)C1CCN(S(=O)(=O)NC)CC1)C(=O)[O-] ZINC001605071417 1018520359 /nfs/dbraw/zinc/52/03/59/1018520359.db2.gz SWXUPMUISNTMRT-SECBINFHSA-N -1 0 307.372 -0.858 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2ncncc2-c2nn[nH]n2)C1 ZINC001605065581 1018521153 /nfs/dbraw/zinc/52/11/53/1018521153.db2.gz WORZONLNIFCMLC-LBPRGKRZSA-N -1 0 305.298 -0.416 20 0 DBADRM Cc1c(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)cnn1C ZINC001605082484 1018522761 /nfs/dbraw/zinc/52/27/61/1018522761.db2.gz OPHYYIUKVMWSPT-UHFFFAOYSA-N -1 0 320.309 -0.735 20 0 DBADRM CC[C@@H](NC(=O)NC[C@@H]1C[C@@H]1C(=O)[O-])C(=O)N1CCOCC1 ZINC001605077076 1018523083 /nfs/dbraw/zinc/52/30/83/1018523083.db2.gz VCDMRDSQIDLFED-GARJFASQSA-N -1 0 313.354 -0.356 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)nnn1C ZINC001605085151 1018525490 /nfs/dbraw/zinc/52/54/90/1018525490.db2.gz ZJNKOSYPFGNBIS-VIFPVBQESA-N -1 0 309.326 -0.225 20 0 DBADRM COCCCNC(=O)COc1ccc(F)nc1-c1nnn[n-]1 ZINC001605088922 1018527023 /nfs/dbraw/zinc/52/70/23/1018527023.db2.gz FEHMNNKMHOKQMH-UHFFFAOYSA-N -1 0 310.289 -0.068 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605090444 1018529619 /nfs/dbraw/zinc/52/96/19/1018529619.db2.gz ZCKXMLWQDFABOV-BBBLOLIVSA-N -1 0 300.311 -0.767 20 0 DBADRM CC[C@@H](O)[C@@H](C)C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001605111427 1018531889 /nfs/dbraw/zinc/53/18/89/1018531889.db2.gz KABGKJAWPUYSKZ-RKDXNWHRSA-N -1 0 307.368 -0.458 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC001605113598 1018532363 /nfs/dbraw/zinc/53/23/63/1018532363.db2.gz PTTLWUUOUHQXOF-UHFFFAOYSA-N -1 0 320.309 -0.823 20 0 DBADRM Cc1cc(C(=O)NC2CCN(CC(=O)NCC(=O)[O-])CC2)no1 ZINC001605122192 1018532443 /nfs/dbraw/zinc/53/24/43/1018532443.db2.gz GFIYCCZWCMGVDR-UHFFFAOYSA-N -1 0 324.337 -0.622 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)nn1 ZINC001605115059 1018532847 /nfs/dbraw/zinc/53/28/47/1018532847.db2.gz XGNXDLPKPXTIBZ-TVQRCGJNSA-N -1 0 312.326 -0.587 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])nn1 ZINC001605114396 1018533544 /nfs/dbraw/zinc/53/35/44/1018533544.db2.gz PVKATBHUPLYHEO-WCABBAIRSA-N -1 0 312.326 -0.732 20 0 DBADRM CC[C@H](O)c1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1CCOC ZINC001605114597 1018533796 /nfs/dbraw/zinc/53/37/96/1018533796.db2.gz SGBQMMXFPZWCQU-VHSXEESVSA-N -1 0 314.342 -0.342 20 0 DBADRM COCc1ccc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)o1 ZINC001605132043 1018534396 /nfs/dbraw/zinc/53/43/96/1018534396.db2.gz NKJXQQAUVUKELZ-UHFFFAOYSA-N -1 0 318.297 -0.372 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)N[C@@](C)(CO)C(=O)[O-])C1=O ZINC001605139782 1018534598 /nfs/dbraw/zinc/53/45/98/1018534598.db2.gz BIXJKZPWWQDBKQ-LBPRGKRZSA-N -1 0 315.326 -0.951 20 0 DBADRM CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CCC1 ZINC001605130320 1018535411 /nfs/dbraw/zinc/53/54/11/1018535411.db2.gz KJDVIUJMOWZUTH-GHMZBOCLSA-N -1 0 324.377 -0.023 20 0 DBADRM CCCN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605305303 1018554277 /nfs/dbraw/zinc/55/42/77/1018554277.db2.gz LHJCKJQEHHWOHY-DTWKUNHWSA-N -1 0 308.356 -0.621 20 0 DBADRM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001605150616 1018539305 /nfs/dbraw/zinc/53/93/05/1018539305.db2.gz NFBXQQIISXITKK-SNVBAGLBSA-N -1 0 313.335 -0.321 20 0 DBADRM CC[C@H]1CC[C@@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)O1 ZINC001605154713 1018540917 /nfs/dbraw/zinc/54/09/17/1018540917.db2.gz POTJTQWCONVOPC-AVWBDOJWSA-N -1 0 319.379 -0.052 20 0 DBADRM CC(=O)NCC(=O)N(C)CCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001500989669 1018541201 /nfs/dbraw/zinc/54/12/01/1018541201.db2.gz CURPCZSYMWFKQE-UHFFFAOYSA-N -1 0 311.342 -0.910 20 0 DBADRM CC[C@H](C(=O)N1CC[C@](O)(C(=O)[O-])C1)N1CCO[C@H](CC)C1 ZINC001605171815 1018541316 /nfs/dbraw/zinc/54/13/16/1018541316.db2.gz BGQMJXSAOUHEDI-LALPHHSUSA-N -1 0 314.382 -0.076 20 0 DBADRM CCCC(=O)N1CCC[C@H](C(=O)N[C@](C)(CO)C(=O)[O-])C1 ZINC001605188768 1018542683 /nfs/dbraw/zinc/54/26/83/1018542683.db2.gz WGOHPYSSHAVHPB-IINYFYTJSA-N -1 0 300.355 -0.023 20 0 DBADRM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC001605183681 1018543553 /nfs/dbraw/zinc/54/35/53/1018543553.db2.gz ZHCSOGNMAZLRCS-PSVJHUJZSA-N -1 0 316.379 -0.194 20 0 DBADRM Cc1cc(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)ncn1 ZINC001605172051 1018544247 /nfs/dbraw/zinc/54/42/47/1018544247.db2.gz FZAVXNZHJTXKCH-UHFFFAOYSA-N -1 0 318.293 -0.679 20 0 DBADRM CCC[C@H](C(=O)N[C@](CC)(COC)C(=O)[O-])S(N)(=O)=O ZINC001605192029 1018545381 /nfs/dbraw/zinc/54/53/81/1018545381.db2.gz HOLIYQGZBZBXED-LDYMZIIASA-N -1 0 310.372 -0.560 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)N[C@@H](C)CC(=O)[O-])C2=O)n(C)n1 ZINC001605194366 1018545434 /nfs/dbraw/zinc/54/54/34/1018545434.db2.gz CQYIOFWYUBECBE-WPRPVWTQSA-N -1 0 323.353 -0.004 20 0 DBADRM CCC[C@](C)(NS(=O)(=O)C[C@H]1CN(C)CCO1)C(=O)[O-] ZINC001605199477 1018546460 /nfs/dbraw/zinc/54/64/60/1018546460.db2.gz ROMCKHIRUBCNRB-PWSUYJOCSA-N -1 0 308.400 -0.120 20 0 DBADRM CCC[C@@H](O)[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001605216748 1018547462 /nfs/dbraw/zinc/54/74/62/1018547462.db2.gz AAIULNAPPXOMQW-NWDGAFQWSA-N -1 0 324.333 -0.039 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001605192955 1018547493 /nfs/dbraw/zinc/54/74/93/1018547493.db2.gz FNZCVILXLLFXAM-VGMNWLOBSA-N -1 0 311.356 -0.528 20 0 DBADRM CCC[C@@H](C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)S(N)(=O)=O ZINC001605192174 1018547816 /nfs/dbraw/zinc/54/78/16/1018547816.db2.gz KPAHEPINOGBZIG-VGMNWLOBSA-N -1 0 308.356 -0.856 20 0 DBADRM CCC[C@H](O)[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001605216746 1018547936 /nfs/dbraw/zinc/54/79/36/1018547936.db2.gz AAIULNAPPXOMQW-NEPJUHHUSA-N -1 0 324.333 -0.039 20 0 DBADRM CCC[C@@H](C)C(=O)NCCNC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001605206799 1018548113 /nfs/dbraw/zinc/54/81/13/1018548113.db2.gz XSDPMRGGHJKHGP-SECBINFHSA-N -1 0 301.343 -0.620 20 0 DBADRM CCCC[C@H](CC)CNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001605237357 1018549174 /nfs/dbraw/zinc/54/91/74/1018549174.db2.gz BBMLCBPMHXBFAC-JTQLQIEISA-N -1 0 300.355 -0.023 20 0 DBADRM CCC[C@H](O)[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])nn1C ZINC001605218249 1018549292 /nfs/dbraw/zinc/54/92/92/1018549292.db2.gz VUCOAUOLBSMQDB-IUCAKERBSA-N -1 0 300.315 -0.238 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC(=O)[O-])n(-c2ccc(C)nn2)n1 ZINC001605242769 1018549310 /nfs/dbraw/zinc/54/93/10/1018549310.db2.gz APZZFZCOYWEABO-UHFFFAOYSA-N -1 0 318.293 -0.582 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001605245552 1018549622 /nfs/dbraw/zinc/54/96/22/1018549622.db2.gz DAHBHVZVIXJABO-MNOVXSKESA-N -1 0 315.370 -0.102 20 0 DBADRM COc1cc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)sn1 ZINC001605222904 1018551203 /nfs/dbraw/zinc/55/12/03/1018551203.db2.gz CUCHBBVBKJVUES-UHFFFAOYSA-N -1 0 321.322 -0.760 20 0 DBADRM Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC(C(=O)[O-])C1 ZINC001605224629 1018551289 /nfs/dbraw/zinc/55/12/89/1018551289.db2.gz ISGIUXIPNZUPKN-UHFFFAOYSA-N -1 0 304.349 -0.139 20 0 DBADRM CCCC[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)C(N)=O ZINC001605237620 1018551596 /nfs/dbraw/zinc/55/15/96/1018551596.db2.gz IHOSFPXYXDDACW-MRVPVSSYSA-N -1 0 309.326 -0.831 20 0 DBADRM CCCCCN(CCO)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001605268734 1018552506 /nfs/dbraw/zinc/55/25/06/1018552506.db2.gz DCDAAXZKNFPAIS-NSHDSACASA-N -1 0 300.355 -0.069 20 0 DBADRM CCCCN(C)S(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001605276359 1018553547 /nfs/dbraw/zinc/55/35/47/1018553547.db2.gz UPAHAEJTYUJPOI-SECBINFHSA-N -1 0 310.372 -0.231 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001605290082 1018553773 /nfs/dbraw/zinc/55/37/73/1018553773.db2.gz WDWAQDAITWIHPR-GFCCVEGCSA-N -1 0 322.383 -0.592 20 0 DBADRM CCCCn1nnnc1CN1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605295835 1018554785 /nfs/dbraw/zinc/55/47/85/1018554785.db2.gz HAIKAZCHOQQMSK-VHSXEESVSA-N -1 0 311.342 -0.221 20 0 DBADRM Cc1ccc(S(N)(=O)=O)c(N2CCO[C@H](C(=O)[O-])C2)c1 ZINC001605307344 1018556713 /nfs/dbraw/zinc/55/67/13/1018556713.db2.gz UXMFJOLUIGWFTD-JTQLQIEISA-N -1 0 300.336 -0.068 20 0 DBADRM COc1cncnc1NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001605342893 1018556787 /nfs/dbraw/zinc/55/67/87/1018556787.db2.gz QHURSEUDKOIIBX-ZCFIWIBFSA-N -1 0 316.285 -0.544 20 0 DBADRM Cc1cccc(CN(C)C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC001605335179 1018557663 /nfs/dbraw/zinc/55/76/63/1018557663.db2.gz BPSXYPSIADJEBK-LBPRGKRZSA-N -1 0 321.333 -0.340 20 0 DBADRM Cc1ccncc1[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001605365973 1018565760 /nfs/dbraw/zinc/56/57/60/1018565760.db2.gz SXBRCRJUVOHQIN-ZYHUDNBSSA-N -1 0 321.333 -0.121 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001605357813 1018568553 /nfs/dbraw/zinc/56/85/53/1018568553.db2.gz FBYFGZOXIAFIAC-MRVPVSSYSA-N -1 0 324.370 -0.968 20 0 DBADRM CCC[C@H](NS(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)[O-] ZINC001605360409 1018569282 /nfs/dbraw/zinc/56/92/82/1018569282.db2.gz HCSYSSFIRDIRNF-BWKAKNAASA-N -1 0 301.390 -0.352 20 0 DBADRM Cc1csc(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)n1 ZINC001605380084 1018570434 /nfs/dbraw/zinc/57/04/34/1018570434.db2.gz BOSWRLMGFDHTCM-UHFFFAOYSA-N -1 0 323.334 -0.012 20 0 DBADRM CCCn1nnnc1CN1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605391511 1018570549 /nfs/dbraw/zinc/57/05/49/1018570549.db2.gz SEFYUOOWGOVOSX-MNOVXSKESA-N -1 0 322.369 -0.648 20 0 DBADRM CCN(C(=O)C(N)=O)[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001605393171 1018571669 /nfs/dbraw/zinc/57/16/69/1018571669.db2.gz BLJGPLHZFQRBRE-VIFPVBQESA-N -1 0 307.310 -0.913 20 0 DBADRM CCCn1ncnc1CN1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001605390811 1018571963 /nfs/dbraw/zinc/57/19/63/1018571963.db2.gz MGFSNAKUOXVOEC-NWDGAFQWSA-N -1 0 321.381 -0.043 20 0 DBADRM Cc1nc(SCC(=O)N[C@H](C(=O)[O-])c2ccnn2C)n[nH]1 ZINC001605388294 1018573009 /nfs/dbraw/zinc/57/30/09/1018573009.db2.gz LHZLJLTYBJQDGP-VIFPVBQESA-N -1 0 310.339 -0.119 20 0 DBADRM CCN(CC(C)(C)O)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001605418221 1018577650 /nfs/dbraw/zinc/57/76/50/1018577650.db2.gz TWUWDRZHLIMRLT-JTQLQIEISA-N -1 0 300.355 -0.071 20 0 DBADRM CCN(CCC(=O)NC)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001605438739 1018582177 /nfs/dbraw/zinc/58/21/77/1018582177.db2.gz LRNSEVOSBLTCLE-UHFFFAOYSA-N -1 0 309.322 -0.469 20 0 DBADRM CCN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1ncn(C)n1 ZINC001605447968 1018585393 /nfs/dbraw/zinc/58/53/93/1018585393.db2.gz ODZHBWMWKDBHKT-UHFFFAOYSA-N -1 0 319.325 -0.701 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)C1CCN(S(=O)(=O)NC)CC1 ZINC001605441531 1018585554 /nfs/dbraw/zinc/58/55/54/1018585554.db2.gz HOJHLJBHJDXVSS-UHFFFAOYSA-N -1 0 321.399 -0.514 20 0 DBADRM CCN(CCNC(=O)c1cnon1)c1ncc(C(=O)[O-])cn1 ZINC001605448265 1018586625 /nfs/dbraw/zinc/58/66/25/1018586625.db2.gz YNGWSWOWESMKRQ-UHFFFAOYSA-N -1 0 306.282 -0.186 20 0 DBADRM Cc1nnc(N2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2)n1C ZINC001605444695 1018587437 /nfs/dbraw/zinc/58/74/37/1018587437.db2.gz QJFRQXOABHYYLK-GHMZBOCLSA-N -1 0 307.354 -0.117 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001605454737 1018588390 /nfs/dbraw/zinc/58/83/90/1018588390.db2.gz KBSSPIIGDAIURL-NSHDSACASA-N -1 0 318.307 -0.791 20 0 DBADRM Cc1nscc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001605455232 1018588856 /nfs/dbraw/zinc/58/88/56/1018588856.db2.gz CHOCGZOMXZFLME-QMMMGPOBSA-N -1 0 304.349 -0.225 20 0 DBADRM Cc1noc(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)n1 ZINC001605450004 1018589324 /nfs/dbraw/zinc/58/93/24/1018589324.db2.gz XAEQXZQCVQJUFR-IONNQARKSA-N -1 0 310.310 -0.437 20 0 DBADRM Cc1noc([C@@H]2OCC[C@@H]2NC(=O)[C@]2(C(=O)[O-])CCCO2)n1 ZINC001605449501 1018591518 /nfs/dbraw/zinc/59/15/18/1018591518.db2.gz BRDFWTILENBTRG-RWEMILLDSA-N -1 0 311.294 -0.042 20 0 DBADRM Cn1c(CCCS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001605468026 1018592414 /nfs/dbraw/zinc/59/24/14/1018592414.db2.gz SVGJMLMREQTLCM-SECBINFHSA-N -1 0 316.383 -0.297 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(C[C@@H]2CCCOC2)c(=O)n1C ZINC001605462920 1018592483 /nfs/dbraw/zinc/59/24/83/1018592483.db2.gz LIHDHPKNMSYTCR-VIFPVBQESA-N -1 0 306.326 -0.538 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC[C@@H](C)O)c(=O)n1C1CC1 ZINC001605463333 1018592818 /nfs/dbraw/zinc/59/28/18/1018592818.db2.gz UDJYWMMVVMMDLM-SSDOTTSWSA-N -1 0 306.326 -0.396 20 0 DBADRM Cn1c(N2CCC[C@H](C(=O)[O-])C2)nnc1[C@]1(C)CNC(=O)C1 ZINC001605466587 1018593295 /nfs/dbraw/zinc/59/32/95/1018593295.db2.gz NENVZDDMTCVHHK-XPTSAGLGSA-N -1 0 307.354 -0.106 20 0 DBADRM CCN(Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(C)(C)C(=O)[O-] ZINC001605463062 1018593349 /nfs/dbraw/zinc/59/33/49/1018593349.db2.gz KABMUBCFDXHNOX-UHFFFAOYSA-N -1 0 323.353 -0.355 20 0 DBADRM CCN(c1ccnc(C(=O)[O-])n1)[C@H](C)CNC(=O)c1cn[nH]n1 ZINC001605464301 1018593613 /nfs/dbraw/zinc/59/36/13/1018593613.db2.gz DLCDBKDJIXNSPM-MRVPVSSYSA-N -1 0 319.325 -0.062 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])[C@H]3C[C@H]32)CC1=O ZINC001605470416 1018594192 /nfs/dbraw/zinc/59/41/92/1018594192.db2.gz BPAGDJZOSLNTTK-QUARPLMYSA-N -1 0 316.379 -0.364 20 0 DBADRM Cc1c(Br)cc(-c2nnn[n-]2)c(=O)n1CC(N)=O ZINC001605469560 1018594483 /nfs/dbraw/zinc/59/44/83/1018594483.db2.gz YPZPDDFRKKROET-UHFFFAOYSA-N -1 0 313.115 -0.415 20 0 DBADRM Cn1c(=O)n2c(c1C(=O)N1CCO[C@H](C(=O)[O-])C1)CCCC2 ZINC001605467481 1018595025 /nfs/dbraw/zinc/59/50/25/1018595025.db2.gz DEWCVZWFZOLUKP-JTQLQIEISA-N -1 0 309.322 -0.551 20 0 DBADRM Cn1cc(C(=O)CCC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cn1 ZINC001605481363 1018596685 /nfs/dbraw/zinc/59/66/85/1018596685.db2.gz VKJXTETXQFANCP-NHYWBVRUSA-N -1 0 321.333 -0.057 20 0 DBADRM CCN1CCC[C@H](NC(=O)NCCn2cc(C(=O)[O-])nn2)C1=O ZINC001605474290 1018596976 /nfs/dbraw/zinc/59/69/76/1018596976.db2.gz DLNODLGQOCISCJ-VIFPVBQESA-N -1 0 324.341 -0.714 20 0 DBADRM CCN1CCCN(CC(=O)N2CCC(C(=O)[O-])CC2)CC1=O ZINC001605479240 1018597005 /nfs/dbraw/zinc/59/70/05/1018597005.db2.gz YAUIVHZWZZFYPB-UHFFFAOYSA-N -1 0 311.382 -0.136 20 0 DBADRM CCN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)CC1 ZINC001605479173 1018598237 /nfs/dbraw/zinc/59/82/37/1018598237.db2.gz VGLPBSLNCRFYFQ-NWDGAFQWSA-N -1 0 311.382 -0.090 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N(CC(=O)[O-])CC(C)C)CC1=O ZINC001605471745 1018598255 /nfs/dbraw/zinc/59/82/55/1018598255.db2.gz VRRLSYUWSXTWOD-SNVBAGLBSA-N -1 0 306.384 -0.020 20 0 DBADRM CCN1CCCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1=O ZINC001605479251 1018598267 /nfs/dbraw/zinc/59/82/67/1018598267.db2.gz YGKQOIQXMHIIJZ-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM CCN1CC[C@@H]1CNC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001605476215 1018598332 /nfs/dbraw/zinc/59/83/32/1018598332.db2.gz WUEAYOPYOVRHPL-NEPJUHHUSA-N -1 0 323.393 -0.090 20 0 DBADRM CCN1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)C(C)(C)C1=O ZINC001605480178 1018598531 /nfs/dbraw/zinc/59/85/31/1018598531.db2.gz OOHOUKYRCZWGAR-UHFFFAOYSA-N -1 0 309.326 -0.554 20 0 DBADRM CCN1CCN(CC(=O)N(CC(=O)[O-])CC(C)C)C(=O)C1=O ZINC001605480467 1018598935 /nfs/dbraw/zinc/59/89/35/1018598935.db2.gz WZILUYVHAWTCFL-UHFFFAOYSA-N -1 0 313.354 -0.754 20 0 DBADRM CCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1=O ZINC001605482035 1018600546 /nfs/dbraw/zinc/60/05/46/1018600546.db2.gz NJSZIWIETKMRCA-UHFFFAOYSA-N -1 0 302.308 -0.169 20 0 DBADRM CCNC(=O)C(C)(C)CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605487645 1018601535 /nfs/dbraw/zinc/60/15/35/1018601535.db2.gz YDNUAXDNHTUCPW-DTORHVGOSA-N -1 0 306.384 -0.069 20 0 DBADRM Cn1cc(C(F)F)c(CNC(=O)c2cn(CC(=O)[O-])nn2)n1 ZINC001605483895 1018601673 /nfs/dbraw/zinc/60/16/73/1018601673.db2.gz PVJQOJLGYNJBLH-UHFFFAOYSA-N -1 0 314.252 -0.036 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001605484886 1018602635 /nfs/dbraw/zinc/60/26/35/1018602635.db2.gz AHACPQHVCQUODF-OUAUKWLOSA-N -1 0 314.338 -0.961 20 0 DBADRM Cn1cc([C@H]2CCCN([C@H]3CCN(CC(=O)[O-])C3=O)C2)nn1 ZINC001605488152 1018602720 /nfs/dbraw/zinc/60/27/20/1018602720.db2.gz DQZUETWTKGMISQ-JQWIXIFHSA-N -1 0 307.354 -0.320 20 0 DBADRM CCNC(=O)CN(C)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001605493427 1018604032 /nfs/dbraw/zinc/60/40/32/1018604032.db2.gz XHZQZIIXPFWIAA-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)Cc3nnc[nH]3)C2)cn1 ZINC001605490990 1018604561 /nfs/dbraw/zinc/60/45/61/1018604561.db2.gz MOWRWYYXLOZGAH-ZJUUUORDSA-N -1 0 318.337 -0.202 20 0 DBADRM CCNC(=O)CC(=O)NC1(C(=O)[O-])CCC(C(=O)OC)CC1 ZINC001605490099 1018604684 /nfs/dbraw/zinc/60/46/84/1018604684.db2.gz QCICZKQDOLAAPC-UHFFFAOYSA-N -1 0 314.338 -0.185 20 0 DBADRM CCNC(=O)CC(=O)NC[C@H](CC)Nc1ccnc(C(=O)[O-])n1 ZINC001605490111 1018605033 /nfs/dbraw/zinc/60/50/33/1018605033.db2.gz QCUQVVUIWRQSBI-VIFPVBQESA-N -1 0 323.353 -0.570 20 0 DBADRM CCNC(=O)C1(CNS(=O)(=O)C[C@H](C)C(=O)[O-])CCC1 ZINC001605489482 1018605415 /nfs/dbraw/zinc/60/54/15/1018605415.db2.gz HPIIKVJPBFEAIE-VIFPVBQESA-N -1 0 306.384 -0.067 20 0 DBADRM CCNC(=O)CCC(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001605490916 1018605731 /nfs/dbraw/zinc/60/57/31/1018605731.db2.gz YGNQLKXGSUVDDO-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM CCOC(=O)[C@@H](CCOC)NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001605508483 1018607707 /nfs/dbraw/zinc/60/77/07/1018607707.db2.gz KCOMWMJVBYRONN-MRVPVSSYSA-N -1 0 311.294 -0.127 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC001605505601 1018607840 /nfs/dbraw/zinc/60/78/40/1018607840.db2.gz JQNZUPJUZCXMBU-SNVBAGLBSA-N -1 0 308.338 -0.598 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N[C@]3(C(=O)[O-])CCOC3)CC2=O)cn1 ZINC001605502134 1018608153 /nfs/dbraw/zinc/60/81/53/1018608153.db2.gz YIFOUMGAVHCUAG-YMTOWFKASA-N -1 0 322.321 -0.867 20 0 DBADRM Cn1ccc(CC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001605505324 1018608493 /nfs/dbraw/zinc/60/84/93/1018608493.db2.gz BBCNAOKBFOSYJW-LLVKDONJSA-N -1 0 308.338 -0.456 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@@]3(C(=O)[O-])CCCO3)C2)cn1 ZINC001605502175 1018608552 /nfs/dbraw/zinc/60/85/52/1018608552.db2.gz YVPLKCUCEMRTQD-IINYFYTJSA-N -1 0 308.338 -0.251 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)nn1 ZINC001605501414 1018608621 /nfs/dbraw/zinc/60/86/21/1018608621.db2.gz BORNJXMHRQSZGF-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM Cn1ccn2c(CNC(=O)[C@@H]3CC[C@H]3C(=O)[O-])nnc2c1=O ZINC001605511741 1018609793 /nfs/dbraw/zinc/60/97/93/1018609793.db2.gz RQUKNMDROLXQKV-HTQZYQBOSA-N -1 0 305.294 -0.845 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001605512201 1018610096 /nfs/dbraw/zinc/61/00/96/1018610096.db2.gz PHCVQUPATWADPK-CQSZACIVSA-N -1 0 308.338 -0.298 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N1CCOC[C@H]1CC(=O)[O-])C(C)=O ZINC001605509858 1018610614 /nfs/dbraw/zinc/61/06/14/1018610614.db2.gz VRMVVLAJMTXJDY-GHMZBOCLSA-N -1 0 315.322 -0.153 20 0 DBADRM CCOC(=O)C1(CC(=O)NC[C@@](C)(O)C(=O)[O-])CCOCC1 ZINC001605517400 1018610654 /nfs/dbraw/zinc/61/06/54/1018610654.db2.gz KJXWBCBSIOZBQJ-CYBMUJFWSA-N -1 0 317.338 -0.312 20 0 DBADRM CCOC(=O)C(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(=O)OCC ZINC001605515257 1018610694 /nfs/dbraw/zinc/61/06/94/1018610694.db2.gz COYIMIVVMWEGHY-SFYZADRCSA-N -1 0 317.294 -0.770 20 0 DBADRM CCOC(=O)[C@@H](N)C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC001605513189 1018610824 /nfs/dbraw/zinc/61/08/24/1018610824.db2.gz KISSYDQZPRZWFE-NSHDSACASA-N -1 0 310.306 -0.230 20 0 DBADRM CCOC(=O)C1(CC(=O)N[C@H](Cn2cncn2)C(=O)[O-])CCC1 ZINC001605517373 1018611368 /nfs/dbraw/zinc/61/13/68/1018611368.db2.gz JVLFZRKVYMBROV-SNVBAGLBSA-N -1 0 324.337 -0.029 20 0 DBADRM CCOC(=O)[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001605514629 1018611851 /nfs/dbraw/zinc/61/18/51/1018611851.db2.gz ZITTUADKOWHISQ-SSDOTTSWSA-N -1 0 307.280 -0.820 20 0 DBADRM CCOC(=O)[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CC1 ZINC001605517332 1018611886 /nfs/dbraw/zinc/61/18/86/1018611886.db2.gz YRPVIVZKYVAXHR-QMMMGPOBSA-N -1 0 317.323 -0.272 20 0 DBADRM CCOC(=O)[C@H](N)C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC001605513187 1018611999 /nfs/dbraw/zinc/61/19/99/1018611999.db2.gz KISSYDQZPRZWFE-LLVKDONJSA-N -1 0 310.306 -0.230 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001605533291 1018613520 /nfs/dbraw/zinc/61/35/20/1018613520.db2.gz YBNYCEDGCBRJMV-VXGBXAGGSA-N -1 0 322.365 -0.211 20 0 DBADRM CCOC(=O)[C@H]1CCCN(CC(=O)NC[C@@H](O)CC(=O)[O-])C1 ZINC001605526367 1018614684 /nfs/dbraw/zinc/61/46/84/1018614684.db2.gz NTEFWGPOOYLEOF-QWRGUYRKSA-N -1 0 316.354 -0.787 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001605533289 1018614754 /nfs/dbraw/zinc/61/47/54/1018614754.db2.gz YBNYCEDGCBRJMV-NWDGAFQWSA-N -1 0 322.365 -0.211 20 0 DBADRM Cn1cnnc1NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001605528382 1018614885 /nfs/dbraw/zinc/61/48/85/1018614885.db2.gz HLQQRKGAUVODIM-UHFFFAOYSA-N -1 0 302.312 -0.967 20 0 DBADRM CCOC(=O)Cn1ccc(N[C@H]2CCN(CCC(=O)[O-])C2=O)n1 ZINC001605543133 1018615880 /nfs/dbraw/zinc/61/58/80/1018615880.db2.gz ATAFTYFCOWGQHM-JTQLQIEISA-N -1 0 324.337 -0.066 20 0 DBADRM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cn1cc(C(=O)[O-])nn1 ZINC001605534470 1018616378 /nfs/dbraw/zinc/61/63/78/1018616378.db2.gz BASFFTMPTLEYJP-VHSXEESVSA-N -1 0 312.326 -0.024 20 0 DBADRM CCOC(=O)COCCNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001605542784 1018616773 /nfs/dbraw/zinc/61/67/73/1018616773.db2.gz VSLQVPQXJJGNIU-VHSXEESVSA-N -1 0 318.326 -0.957 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CCN(C(C)(C)C(N)=O)CC1 ZINC001605539118 1018617871 /nfs/dbraw/zinc/61/78/71/1018617871.db2.gz SXFUVJOBFZCIFT-UHFFFAOYSA-N -1 0 309.370 -0.500 20 0 DBADRM CCOC(=O)CN(C)C(=O)COC(=O)c1cncc(C(=O)[O-])c1 ZINC001605539143 1018618133 /nfs/dbraw/zinc/61/81/33/1018618133.db2.gz IQWWAQBWXARFLF-UHFFFAOYSA-N -1 0 324.289 -0.042 20 0 DBADRM CCOC(=O)COCCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001605542370 1018618196 /nfs/dbraw/zinc/61/81/96/1018618196.db2.gz LIMNHTDWDBGSRI-WDEREUQCSA-N -1 0 317.338 -0.048 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)CC(C)(C)CC(=O)[O-] ZINC001605539467 1018618355 /nfs/dbraw/zinc/61/83/55/1018618355.db2.gz OKSWVMCOLKZSGF-UHFFFAOYSA-N -1 0 302.327 -0.246 20 0 DBADRM CCOC(=O)NCC(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001605551188 1018619301 /nfs/dbraw/zinc/61/93/01/1018619301.db2.gz JYGPZUYTZIIOEZ-MRVPVSSYSA-N -1 0 302.283 -0.649 20 0 DBADRM CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H](O)C(=O)[O-] ZINC001605551208 1018620563 /nfs/dbraw/zinc/62/05/63/1018620563.db2.gz KAPCTFXFCFVYJL-RYUDHWBXSA-N -1 0 324.333 -0.095 20 0 DBADRM CCOC(=O)NCCCC(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001605551747 1018621534 /nfs/dbraw/zinc/62/15/34/1018621534.db2.gz OWKSGEKOSWUAOU-SECBINFHSA-N -1 0 313.314 -0.626 20 0 DBADRM CCOC(=O)Nc1scnc1C(=O)N[C@H](CO)C(=O)[O-] ZINC001605555747 1018621920 /nfs/dbraw/zinc/62/19/20/1018621920.db2.gz DXNPHPAFUBJQNW-RXMQYKEDSA-N -1 0 303.296 -0.113 20 0 DBADRM Cn1nc2c(c1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-])CCC2 ZINC001605553846 1018622198 /nfs/dbraw/zinc/62/21/98/1018622198.db2.gz WCYVORJKCUHEJA-LBPRGKRZSA-N -1 0 313.379 -0.408 20 0 DBADRM CCOC(=O)NCCCC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001605551429 1018622245 /nfs/dbraw/zinc/62/22/45/1018622245.db2.gz LDLAFJHJHZXNBC-UHFFFAOYSA-N -1 0 302.327 -0.049 20 0 DBADRM CCOC(=O)c1c(C)n[nH]c1CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001605564175 1018623226 /nfs/dbraw/zinc/62/32/26/1018623226.db2.gz UBRFAULEXHEJET-SNVBAGLBSA-N -1 0 324.337 -0.330 20 0 DBADRM Cn1nccc1[C@@H](NCc1ccc(S(N)(=O)=O)o1)C(=O)[O-] ZINC001605568644 1018624572 /nfs/dbraw/zinc/62/45/72/1018624572.db2.gz YAKCWXYIRDNPMA-SNVBAGLBSA-N -1 0 314.323 -0.424 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)[O-] ZINC001605563524 1018624932 /nfs/dbraw/zinc/62/49/32/1018624932.db2.gz OQDUCWUCRDOJIW-FSZOTQKASA-N -1 0 309.322 -0.287 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001605559132 1018625015 /nfs/dbraw/zinc/62/50/15/1018625015.db2.gz XKMZIVAKBNEAHU-IVZWLZJFSA-N -1 0 322.321 -0.051 20 0 DBADRM Cn1nnnc1C1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001605575902 1018626567 /nfs/dbraw/zinc/62/65/67/1018626567.db2.gz GKBCUQDRJSTEQO-MGCOHNPYSA-N -1 0 308.342 -0.038 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NCCCN2C(=O)CNC2=O)n1 ZINC001605578764 1018628473 /nfs/dbraw/zinc/62/84/73/1018628473.db2.gz SMOUQGHONFSENA-UHFFFAOYSA-N -1 0 317.313 -0.681 20 0 DBADRM Cn1nncc1CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001605576654 1018629599 /nfs/dbraw/zinc/62/95/99/1018629599.db2.gz QAELXQWVYRQSPL-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM CCO[C@@H](CC)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001605591181 1018631006 /nfs/dbraw/zinc/63/10/06/1018631006.db2.gz ZEOFCTANFHRYKR-ZJUUUORDSA-N -1 0 307.368 -0.098 20 0 DBADRM CCO[C@@H]1C[C@@](NCc2nc(N)nc(N)n2)(C(=O)[O-])C1(C)C ZINC001605603474 1018632515 /nfs/dbraw/zinc/63/25/15/1018632515.db2.gz IGHLFNNKRZCGMT-FUXBKTLASA-N -1 0 310.358 -0.216 20 0 DBADRM CCO[C@@H]1C[C@@](NC(=O)CCNC(N)=O)(C(=O)[O-])C1(C)C ZINC001605603812 1018633091 /nfs/dbraw/zinc/63/30/91/1018633091.db2.gz GQHJDMCJTHIIQI-AMIZOPFISA-N -1 0 301.343 -0.181 20 0 DBADRM CCOC1CC2(C[C@H]2NC(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605614489 1018634348 /nfs/dbraw/zinc/63/43/48/1018634348.db2.gz FKSYLCJSAVUHTA-RADOOGEGSA-N -1 0 310.350 -0.103 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cnc2c(c1)nnn2C ZINC001605622637 1018634907 /nfs/dbraw/zinc/63/49/07/1018634907.db2.gz VAPQHMNPBLWTNB-JTQLQIEISA-N -1 0 307.310 -0.075 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001605624967 1018635016 /nfs/dbraw/zinc/63/50/16/1018635016.db2.gz QRINAVJABRHKCC-GUBZILKMSA-N -1 0 324.399 -0.444 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001605620589 1018636005 /nfs/dbraw/zinc/63/60/05/1018636005.db2.gz KXKXIFCTQMXHBR-NNYUYHANSA-N -1 0 301.339 -0.014 20 0 DBADRM CCOCC(=O)NC[C@H]1CN(c2ccnc(C(=O)[O-])n2)CCO1 ZINC001605618728 1018636018 /nfs/dbraw/zinc/63/60/18/1018636018.db2.gz NUIZLUBSFVPTOC-JTQLQIEISA-N -1 0 324.337 -0.467 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001605616956 1018636084 /nfs/dbraw/zinc/63/60/84/1018636084.db2.gz UJDAVMCIPBNWGA-NXEZZACHSA-N -1 0 307.368 -0.035 20 0 DBADRM CCOCC(=O)N1CC[C@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001605619053 1018636400 /nfs/dbraw/zinc/63/64/00/1018636400.db2.gz RSTXYTQMNBPXMO-SNVBAGLBSA-N -1 0 308.338 -0.106 20 0 DBADRM NC(=O)[C@]1(O)CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC001605627236 1018637139 /nfs/dbraw/zinc/63/71/39/1018637139.db2.gz XWXAWMNLNJLNJZ-AWEZNQCLSA-N -1 0 308.290 -0.788 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)Nc2cc(C(=O)[O-])ccn2)O1 ZINC001605626665 1018637203 /nfs/dbraw/zinc/63/72/03/1018637203.db2.gz IJSHAHXCECXQNQ-DTWKUNHWSA-N -1 0 308.294 -0.066 20 0 DBADRM NC(=O)COc1cccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)c1 ZINC001605631829 1018638259 /nfs/dbraw/zinc/63/82/59/1018638259.db2.gz LCVUYDXANYLZBL-JTQLQIEISA-N -1 0 307.262 -0.281 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CCO1 ZINC001605627395 1018638833 /nfs/dbraw/zinc/63/88/33/1018638833.db2.gz ABNYQVXRFQRKIX-HBNTYKKESA-N -1 0 314.338 -0.641 20 0 DBADRM NC(=O)c1nccnc1N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605642816 1018639592 /nfs/dbraw/zinc/63/95/92/1018639592.db2.gz LQLHYMHAWBDYPD-MRVPVSSYSA-N -1 0 307.310 -0.547 20 0 DBADRM NC(=O)c1cnc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001605642769 1018639934 /nfs/dbraw/zinc/63/99/34/1018639934.db2.gz KCCWXYUMFLUFNK-QMMMGPOBSA-N -1 0 313.697 -0.241 20 0 DBADRM CCOCCO[C@@H](C)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001605638141 1018639980 /nfs/dbraw/zinc/63/99/80/1018639980.db2.gz KRIGBFAXCNNGPM-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM CCOCCOCC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001605638067 1018640109 /nfs/dbraw/zinc/64/01/09/1018640109.db2.gz GDFVCKNQLWYADS-UWVGGRQHSA-N -1 0 303.311 -0.628 20 0 DBADRM NC(=O)c1cc(CNC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)on1 ZINC001605638508 1018640329 /nfs/dbraw/zinc/64/03/29/1018640329.db2.gz DVISEWVONHUQPT-YUMQZZPRSA-N -1 0 311.294 -0.340 20 0 DBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cn1 ZINC001605641435 1018640425 /nfs/dbraw/zinc/64/04/25/1018640425.db2.gz CLWWSMNTBPSIAB-VIFPVBQESA-N -1 0 306.278 -0.805 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])O1 ZINC001605634726 1018640443 /nfs/dbraw/zinc/64/04/43/1018640443.db2.gz DISMKBWFZJUNBM-GRYCIOLGSA-N -1 0 306.318 -0.169 20 0 DBADRM NC(=O)c1cc(CNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)on1 ZINC001605638505 1018640480 /nfs/dbraw/zinc/64/04/80/1018640480.db2.gz DVISEWVONHUQPT-HTQZYQBOSA-N -1 0 311.294 -0.340 20 0 DBADRM NC(=O)[C@@H]1Cc2ccccc2CN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001605635283 1018641311 /nfs/dbraw/zinc/64/13/11/1018641311.db2.gz QKRAIZLBSQZOHU-STQMWFEESA-N -1 0 317.345 -0.416 20 0 DBADRM NC(=O)c1csc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC001605642791 1018641612 /nfs/dbraw/zinc/64/16/12/1018641612.db2.gz KIBCAGBDTQYHOU-ZETCQYMHSA-N -1 0 314.323 -0.763 20 0 DBADRM NS(=O)(=O)c1ccc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC001605648866 1018642357 /nfs/dbraw/zinc/64/23/57/1018642357.db2.gz FHOQNICXDJXZBF-NOZJJQNGSA-N -1 0 312.347 -0.129 20 0 DBADRM NS(=O)(=O)CCCNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001605643585 1018643066 /nfs/dbraw/zinc/64/30/66/1018643066.db2.gz ZZDJUIFRXAYARX-BDAKNGLRSA-N -1 0 308.356 -0.949 20 0 DBADRM CCON(CC)C(=O)CNC(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001605648496 1018643158 /nfs/dbraw/zinc/64/31/58/1018643158.db2.gz OHPFHYRGLMEOKR-ZDUSSCGKSA-N -1 0 317.342 -0.329 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001605643532 1018643314 /nfs/dbraw/zinc/64/33/14/1018643314.db2.gz WSVUPOZKVPXVSY-LPEHRKFASA-N -1 0 304.368 -0.376 20 0 DBADRM NC(=O)c1cn(CCCCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)nn1 ZINC001605643166 1018643501 /nfs/dbraw/zinc/64/35/01/1018643501.db2.gz URSTXCHZUNISLK-VHSXEESVSA-N -1 0 323.353 -0.226 20 0 DBADRM O=C([O-])c1c(NC(=O)CCc2nnc[nH]2)nc2n1CCOC2 ZINC001605689220 1018644690 /nfs/dbraw/zinc/64/46/90/1018644690.db2.gz ALTBOHZQZXOYGY-UHFFFAOYSA-N -1 0 306.282 -0.199 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001605670341 1018645922 /nfs/dbraw/zinc/64/59/22/1018645922.db2.gz KAEMGLJDBAKLMR-OPQQBVKSSA-N -1 0 317.363 -0.629 20 0 DBADRM Cc1cc(Cn2c(=O)c(-c3nnn[n-]3)c(C)n(C)c2=O)ncn1 ZINC001605671551 1018646477 /nfs/dbraw/zinc/64/64/77/1018646477.db2.gz RFEZJZZDQPUXFE-UHFFFAOYSA-N -1 0 314.309 -0.818 20 0 DBADRM Cc1cc(CCC(=O)NCCn2cnc(-c3nnn[n-]3)n2)no1 ZINC001605655360 1018646671 /nfs/dbraw/zinc/64/66/71/1018646671.db2.gz BQQBZFRUOMFWAT-UHFFFAOYSA-N -1 0 317.313 -0.496 20 0 DBADRM Cc1cc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)nc(C)n1 ZINC001605671815 1018646804 /nfs/dbraw/zinc/64/68/04/1018646804.db2.gz VZSIIIIUVJPLSC-UHFFFAOYSA-N -1 0 314.309 -0.818 20 0 DBADRM CCOc1ccc(S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-])cn1 ZINC001605698776 1018649609 /nfs/dbraw/zinc/64/96/09/1018649609.db2.gz JHGYVXXWLSDVGS-JTQLQIEISA-N -1 0 318.351 -0.017 20 0 DBADRM CCOc1nc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)co1 ZINC001605718748 1018650387 /nfs/dbraw/zinc/65/03/87/1018650387.db2.gz CVOLDHHWWOSCSZ-BDAKNGLRSA-N -1 0 323.305 -0.265 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)CCNC(=O)CO)c2ccccc21 ZINC001605698787 1018650515 /nfs/dbraw/zinc/65/05/15/1018650515.db2.gz KCFOPZMXNSRFPI-VXGBXAGGSA-N -1 0 306.318 -0.086 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001605726525 1018651603 /nfs/dbraw/zinc/65/16/03/1018651603.db2.gz VCNIPQCJLNCNPS-OIBJUYFYSA-N -1 0 310.397 -0.609 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001605727458 1018651895 /nfs/dbraw/zinc/65/18/95/1018651895.db2.gz FTHWPRWXRBQYGW-UHFFFAOYSA-N -1 0 304.368 -0.313 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC001605727823 1018651989 /nfs/dbraw/zinc/65/19/89/1018651989.db2.gz PFTORUMHTRIMOW-IUCAKERBSA-N -1 0 308.356 -0.984 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001605726526 1018652139 /nfs/dbraw/zinc/65/21/39/1018652139.db2.gz VCNIPQCJLNCNPS-XCBNKYQSSA-N -1 0 310.397 -0.609 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)O[C@@H](C)C(=O)C(=O)[O-])C1 ZINC001605725892 1018652193 /nfs/dbraw/zinc/65/21/93/1018652193.db2.gz KXVVEVZUJHEPBG-IUCAKERBSA-N -1 0 321.351 -0.367 20 0 DBADRM CCS(=O)(=O)CCN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001605726812 1018652247 /nfs/dbraw/zinc/65/22/47/1018652247.db2.gz LFTXJJGSMMIQKM-ZDUSSCGKSA-N -1 0 320.411 -0.718 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1CCSC[C@H]1C(=O)[O-] ZINC001605725011 1018652301 /nfs/dbraw/zinc/65/23/01/1018652301.db2.gz DNGVYLJLNGJFOL-YUMQZZPRSA-N -1 0 310.397 -0.657 20 0 DBADRM CCS(=O)(=O)CCNC(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1 ZINC001605726690 1018652335 /nfs/dbraw/zinc/65/23/35/1018652335.db2.gz JGCTWTCEXURDAL-ZJUUUORDSA-N -1 0 307.368 -0.050 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@]1(COC)C(=O)[O-] ZINC001605726461 1018652498 /nfs/dbraw/zinc/65/24/98/1018652498.db2.gz DLWZXQJTOLTNAN-GFCCVEGCSA-N -1 0 322.383 -0.640 20 0 DBADRM CCOc1ncccc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001605721730 1018652767 /nfs/dbraw/zinc/65/27/67/1018652767.db2.gz BVKKMRRPJPTAER-JTQLQIEISA-N -1 0 307.306 -0.104 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1cccnc1 ZINC001605726602 1018653091 /nfs/dbraw/zinc/65/30/91/1018653091.db2.gz YLBGTTHJHLTEMR-WPRPVWTQSA-N -1 0 315.351 -0.349 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001605728080 1018654207 /nfs/dbraw/zinc/65/42/07/1018654207.db2.gz VOJDTCDHFDWWPF-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2cn(C[C@H]3CCOC3)nn2)CCOC1 ZINC001605736123 1018654476 /nfs/dbraw/zinc/65/44/76/1018654476.db2.gz FGXFXFYVYFLTQO-RNCFNFMXSA-N -1 0 310.310 -0.712 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@H](CO)CN2CCOCC2)cn1 ZINC001605729821 1018655347 /nfs/dbraw/zinc/65/53/47/1018655347.db2.gz NRJSTKHROZRVDD-NSHDSACASA-N -1 0 309.322 -0.797 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001605728118 1018655884 /nfs/dbraw/zinc/65/58/84/1018655884.db2.gz XREHWJBKMQMILF-BDAKNGLRSA-N -1 0 308.356 -0.936 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@@H]2C(=O)NCC23CCOCC3)[nH]n1 ZINC001605744845 1018655908 /nfs/dbraw/zinc/65/59/08/1018655908.db2.gz WIWZRQYYNZXWPE-SECBINFHSA-N -1 0 308.294 -0.867 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)Cn1nnc3c1CCCC3)C2 ZINC001605732199 1018656214 /nfs/dbraw/zinc/65/62/14/1018656214.db2.gz YJTKXXGUHUCUEB-MEBBXXQBSA-N -1 0 320.349 -0.284 20 0 DBADRM CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001605748504 1018656792 /nfs/dbraw/zinc/65/67/92/1018656792.db2.gz XUOUOBJNPBKRRL-VIFPVBQESA-N -1 0 310.306 -0.024 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC001605742623 1018656822 /nfs/dbraw/zinc/65/68/22/1018656822.db2.gz BVOADDOWMKNAOT-WPRPVWTQSA-N -1 0 310.310 -0.722 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NC/C=C\Cl)CCOCC1 ZINC001605774667 1018657750 /nfs/dbraw/zinc/65/77/50/1018657750.db2.gz CQDSDCPGLWLKHB-RJRFIUFISA-N -1 0 304.730 -0.147 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCc3c[nH]nc32)C1 ZINC001605749246 1018659020 /nfs/dbraw/zinc/65/90/20/1018659020.db2.gz FIBZCBRWBNIWNH-VHSXEESVSA-N -1 0 306.322 -0.164 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)C(=O)NCC(F)F ZINC001605750092 1018659117 /nfs/dbraw/zinc/65/91/17/1018659117.db2.gz BJANYHXADYVGNH-QMMMGPOBSA-N -1 0 301.249 -0.425 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCc3c[nH]nc32)CCO1 ZINC001605749309 1018659461 /nfs/dbraw/zinc/65/94/61/1018659461.db2.gz IULZVICTOUFJFG-UWVGGRQHSA-N -1 0 322.321 -0.785 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCc3c[nH]nc32)C1 ZINC001605749245 1018659558 /nfs/dbraw/zinc/65/95/58/1018659558.db2.gz FIBZCBRWBNIWNH-UWVGGRQHSA-N -1 0 306.322 -0.164 20 0 DBADRM O=C([O-])C1(CNC(=O)NC[C@]2(OCCO)CCOC2)CCC1 ZINC001605764465 1018659755 /nfs/dbraw/zinc/65/97/55/1018659755.db2.gz GHDDEINGQGTIRN-CQSZACIVSA-N -1 0 316.354 -0.292 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1O ZINC001605753129 1018659779 /nfs/dbraw/zinc/65/97/79/1018659779.db2.gz WHAFCXRUZNJTSJ-HJQYOEGKSA-N -1 0 320.349 -0.113 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC2CCSCC2)CCO1 ZINC001605752610 1018660059 /nfs/dbraw/zinc/66/00/59/1018660059.db2.gz KHRJUHUDIZINSQ-SECBINFHSA-N -1 0 302.352 -0.690 20 0 DBADRM CCc1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001605786149 1018660700 /nfs/dbraw/zinc/66/07/00/1018660700.db2.gz WALTZTLBAYYTAU-QWRGUYRKSA-N -1 0 320.349 -0.119 20 0 DBADRM CCc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])[nH]n1 ZINC001605785168 1018661419 /nfs/dbraw/zinc/66/14/19/1018661419.db2.gz MXGVLXPJJZYWLT-VIFPVBQESA-N -1 0 315.351 -0.314 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1C(=O)N[C@@H]1CC(=O)N(C)C1=O ZINC001605791509 1018661459 /nfs/dbraw/zinc/66/14/59/1018661459.db2.gz UXZORJWRHKLECR-SNVBAGLBSA-N -1 0 314.305 -0.338 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)c(NC[C@@H]2CC(C(N)=O)=NO2)n1 ZINC001605778795 1018662306 /nfs/dbraw/zinc/66/23/06/1018662306.db2.gz JLAKPYMZCWMIJT-ZETCQYMHSA-N -1 0 302.298 -0.388 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)n(C)n1 ZINC001605800043 1018662961 /nfs/dbraw/zinc/66/29/61/1018662961.db2.gz XLSDTSIGRZGVFU-UHFFFAOYSA-N -1 0 324.337 -0.641 20 0 DBADRM CCc1cc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)[nH]n1 ZINC001605785416 1018662987 /nfs/dbraw/zinc/66/29/87/1018662987.db2.gz ZONJLODMOLCNSC-QWRGUYRKSA-N -1 0 320.349 -0.023 20 0 DBADRM CCc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001605786148 1018663074 /nfs/dbraw/zinc/66/30/74/1018663074.db2.gz WALTZTLBAYYTAU-MNOVXSKESA-N -1 0 320.349 -0.119 20 0 DBADRM CCc1cc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n[nH]1 ZINC001605798731 1018663166 /nfs/dbraw/zinc/66/31/66/1018663166.db2.gz VIJYETBVWRVYQD-LLVKDONJSA-N -1 0 308.338 -0.089 20 0 DBADRM CCc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])n(C)n1 ZINC001605785141 1018663285 /nfs/dbraw/zinc/66/32/85/1018663285.db2.gz LOHDUYPKUMCKHD-JTQLQIEISA-N -1 0 308.338 -0.212 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2cccc(O)c2)CCO1 ZINC001605806481 1018665488 /nfs/dbraw/zinc/66/54/88/1018665488.db2.gz HHTDKYXKAPOJMD-LLVKDONJSA-N -1 0 308.290 -0.680 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)C2=NN(CCO)C(=O)CC2)c1 ZINC001605844910 1018666502 /nfs/dbraw/zinc/66/65/02/1018666502.db2.gz KXELVOKZPCGGID-UHFFFAOYSA-N -1 0 306.278 -0.311 20 0 DBADRM CCc1c[nH]c(CC(=O)NCCNc2ccnc(C(=O)[O-])n2)n1 ZINC001605837325 1018666536 /nfs/dbraw/zinc/66/65/36/1018666536.db2.gz SJDRXIMDOZSJSG-UHFFFAOYSA-N -1 0 318.337 -0.347 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N[C@H]2CCCCNC2=O)c1 ZINC001605871087 1018668062 /nfs/dbraw/zinc/66/80/62/1018668062.db2.gz ONICDOFUQFSCEY-JTQLQIEISA-N -1 0 320.305 -0.497 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](O)C2)c(-c2nn[nH]n2)c1 ZINC001605882003 1018668187 /nfs/dbraw/zinc/66/81/87/1018668187.db2.gz MZWOMTCCHUDRHM-DTORHVGOSA-N -1 0 309.351 -0.023 20 0 DBADRM CCc1noc(COCC(=O)NC[C@@]2(C(=O)[O-])CCOC2)n1 ZINC001605877203 1018669177 /nfs/dbraw/zinc/66/91/77/1018669177.db2.gz FRHUIOSDVIHNON-ZDUSSCGKSA-N -1 0 313.310 -0.244 20 0 DBADRM O=C([O-])c1cc(NC(=O)N[C@H]2CCCN(CCO)C2=O)ccn1 ZINC001605867995 1018670382 /nfs/dbraw/zinc/67/03/82/1018670382.db2.gz CCLIRWMQOYPIQY-JTQLQIEISA-N -1 0 322.321 -0.115 20 0 DBADRM CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](OC)(C(=O)[O-])C1 ZINC001605914740 1018671375 /nfs/dbraw/zinc/67/13/75/1018671375.db2.gz RAZXKRUBFJFNFI-LKFCYVNXSA-N -1 0 323.353 -0.071 20 0 DBADRM CCn1cc(C(=O)C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])cn1 ZINC001605915031 1018671522 /nfs/dbraw/zinc/67/15/22/1018671522.db2.gz BPGFQKSBGMNZAF-CQSZACIVSA-N -1 0 319.321 -0.058 20 0 DBADRM O=C([O-])[C@H](C(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1)C1CC1 ZINC001605901488 1018671897 /nfs/dbraw/zinc/67/18/97/1018671897.db2.gz RGERJSXLQGUROQ-NSHDSACASA-N -1 0 321.337 -0.042 20 0 DBADRM CCc1oc(CN(CC(=O)NC)CC(=O)NC)cc1C(=O)[O-] ZINC001605890708 1018672156 /nfs/dbraw/zinc/67/21/56/1018672156.db2.gz UVEWRVVZYSEBFP-UHFFFAOYSA-N -1 0 311.338 -0.166 20 0 DBADRM CCn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1[C@](C)(O)COC ZINC001605911645 1018672351 /nfs/dbraw/zinc/67/23/51/1018672351.db2.gz MQUOCBADJBMMFZ-NOZJJQNGSA-N -1 0 314.342 -0.558 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cnc3ccccn23)CC1 ZINC001605886106 1018672379 /nfs/dbraw/zinc/67/23/79/1018672379.db2.gz NRIDXZFSRPEPRC-UHFFFAOYSA-N -1 0 302.290 -0.297 20 0 DBADRM O=C([O-])[C@@H](C(=O)NC[C@]1(CO)COCCN1)C1CCCC1 ZINC001605893403 1018672769 /nfs/dbraw/zinc/67/27/69/1018672769.db2.gz XKHBQIVTBXOQSX-RISCZKNCSA-N -1 0 300.355 -0.656 20 0 DBADRM CCn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1[C@](C)(O)COC ZINC001605911648 1018672802 /nfs/dbraw/zinc/67/28/02/1018672802.db2.gz MQUOCBADJBMMFZ-TVQRCGJNSA-N -1 0 314.342 -0.558 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cnc3c[nH]nc3c2)CC1 ZINC001605885641 1018673142 /nfs/dbraw/zinc/67/31/42/1018673142.db2.gz CSZFBWJMINPXAL-UHFFFAOYSA-N -1 0 303.278 -0.673 20 0 DBADRM CCn1cc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c(=O)[nH]c1=O ZINC001605922544 1018674643 /nfs/dbraw/zinc/67/46/43/1018674643.db2.gz UHQUDEXFVLJADT-BDAKNGLRSA-N -1 0 311.294 -0.783 20 0 DBADRM CCn1cc(Cl)c(NC(=O)NCC(=O)NCC(=O)[O-])n1 ZINC001605921982 1018675381 /nfs/dbraw/zinc/67/53/81/1018675381.db2.gz QSTMMACJOPOMBA-UHFFFAOYSA-N -1 0 303.706 -0.121 20 0 DBADRM CCn1cc(Cl)c(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC001605922563 1018675633 /nfs/dbraw/zinc/67/56/33/1018675633.db2.gz VPYMQDSCSSSWFN-MRVPVSSYSA-N -1 0 314.729 -0.028 20 0 DBADRM CCn1cc(C(=O)C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)cn1 ZINC001605915557 1018675678 /nfs/dbraw/zinc/67/56/78/1018675678.db2.gz SFNZRKYBGHGKLL-GXSJLCMTSA-N -1 0 309.322 -0.061 20 0 DBADRM CCn1nc(C)c(CNC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)n1 ZINC001605939532 1018676802 /nfs/dbraw/zinc/67/68/02/1018676802.db2.gz BEAZDZWAQDOEOQ-KWQFWETISA-N -1 0 311.342 -0.010 20 0 DBADRM CCn1cc(OS(=O)(=O)c2cnn(CC(=O)[O-])c2)cn1 ZINC001605925032 1018676829 /nfs/dbraw/zinc/67/68/29/1018676829.db2.gz RDFKRHLIHIWWDH-UHFFFAOYSA-N -1 0 300.296 -0.048 20 0 DBADRM CCn1[nH]c(C)nc1=NC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001605939154 1018677047 /nfs/dbraw/zinc/67/70/47/1018677047.db2.gz UYOPLLHQVSYBTE-VIFPVBQESA-N -1 0 324.341 -0.775 20 0 DBADRM CCn1ccnc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605931457 1018677311 /nfs/dbraw/zinc/67/73/11/1018677311.db2.gz PLZWJZYTBLJDKJ-MNOVXSKESA-N -1 0 320.349 -0.188 20 0 DBADRM O=C([O-])C1(C(=O)NCCCn2cc(CO)nn2)CCOCC1 ZINC001605925259 1018677561 /nfs/dbraw/zinc/67/75/61/1018677561.db2.gz LLKYYVNIJAJKLI-UHFFFAOYSA-N -1 0 312.326 -0.842 20 0 DBADRM CCn1ccnc1CNC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001605932912 1018678120 /nfs/dbraw/zinc/67/81/20/1018678120.db2.gz XMJPFXKYWVXQGP-JOYOIKCWSA-N -1 0 301.368 -0.120 20 0 DBADRM O=C([O-])C1(C(=O)O[C@H]2CCCOC2)CCS(=O)(=O)CC1 ZINC001605943609 1018679353 /nfs/dbraw/zinc/67/93/53/1018679353.db2.gz CKEWOAOHYIPVPE-VIFPVBQESA-N -1 0 306.336 -0.012 20 0 DBADRM CCn1nccc1CNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001605945192 1018679443 /nfs/dbraw/zinc/67/94/43/1018679443.db2.gz CTQYHSTZBJVLRW-NSHDSACASA-N -1 0 324.337 -0.779 20 0 DBADRM CCn1nncc1CNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001605947191 1018679492 /nfs/dbraw/zinc/67/94/92/1018679492.db2.gz ZABRQVVUHXJAOX-ZDUSSCGKSA-N -1 0 322.325 -0.187 20 0 DBADRM CCn1ncnc1CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001605946153 1018679899 /nfs/dbraw/zinc/67/98/99/1018679899.db2.gz YUJYRVQTYMBKQJ-CYBMUJFWSA-N -1 0 309.326 -0.763 20 0 DBADRM CCn1ncc(CN2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001605940814 1018680138 /nfs/dbraw/zinc/68/01/38/1018680138.db2.gz GMKHXEDLSVZVNO-NWDGAFQWSA-N -1 0 307.354 -0.433 20 0 DBADRM CCn1nccc1S(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001605946042 1018680184 /nfs/dbraw/zinc/68/01/84/1018680184.db2.gz QWKRNOGOXVBDFF-DTWKUNHWSA-N -1 0 303.340 -0.641 20 0 DBADRM CCn1ncc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001605941138 1018680616 /nfs/dbraw/zinc/68/06/16/1018680616.db2.gz OFPKNEUSDFVQCG-QSFUFRPTSA-N -1 0 307.354 -0.245 20 0 DBADRM CCn1ncc(CNC2(C(=O)[O-])CCS(=O)(=O)CC2)n1 ZINC001605941496 1018680662 /nfs/dbraw/zinc/68/06/62/1018680662.db2.gz XPRQWASVHRDKOS-UHFFFAOYSA-N -1 0 302.356 -0.580 20 0 DBADRM CCn1ncnc1CN1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001605945956 1018680707 /nfs/dbraw/zinc/68/07/07/1018680707.db2.gz TYMYVEOEHJHICW-DTWKUNHWSA-N -1 0 307.310 -0.075 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2ncccc2O)C1 ZINC001605957602 1018681861 /nfs/dbraw/zinc/68/18/61/1018681861.db2.gz UKYCSFLSMATHHP-VHSXEESVSA-N -1 0 319.317 -0.209 20 0 DBADRM CN(C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)[C@H]1CCNC1=O ZINC001605952341 1018682106 /nfs/dbraw/zinc/68/21/06/1018682106.db2.gz UHJJXHQOBJXMIP-YHAQOWFVSA-N -1 0 323.349 -0.953 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001605955590 1018682328 /nfs/dbraw/zinc/68/23/28/1018682328.db2.gz AHPDMSAOIDYDCG-ZJUUUORDSA-N -1 0 321.337 -0.412 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001605955589 1018682459 /nfs/dbraw/zinc/68/24/59/1018682459.db2.gz AHPDMSAOIDYDCG-VHSXEESVSA-N -1 0 321.337 -0.412 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cncn2C)C1 ZINC001605956034 1018682501 /nfs/dbraw/zinc/68/25/01/1018682501.db2.gz FCXOPHCGQLCONQ-NXEZZACHSA-N -1 0 306.322 -0.576 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)C1 ZINC001605964355 1018684327 /nfs/dbraw/zinc/68/43/27/1018684327.db2.gz ZYCNRVDDFHIPOP-MHSYXAOVSA-N -1 0 310.228 -0.012 20 0 DBADRM CN(CC(=O)N(C)c1nc(CC(=O)[O-])cs1)S(C)(=O)=O ZINC001605961289 1018685096 /nfs/dbraw/zinc/68/50/96/1018685096.db2.gz YXCLMQCEBMUJMR-UHFFFAOYSA-N -1 0 321.380 -0.376 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCCCOC[C@H]2CCOC2)C1 ZINC001605967872 1018685695 /nfs/dbraw/zinc/68/56/95/1018685695.db2.gz OORIFWHWBSWSIA-MWLCHTKSSA-N -1 0 300.311 -0.225 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCCCOC[C@H]2CCOC2)C1 ZINC001605967871 1018686290 /nfs/dbraw/zinc/68/62/90/1018686290.db2.gz OORIFWHWBSWSIA-KOLCDFICSA-N -1 0 300.311 -0.225 20 0 DBADRM CN(C(=O)c1cn(C(F)(F)CO)nn1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605987116 1018687138 /nfs/dbraw/zinc/68/71/38/1018687138.db2.gz ZMZVWCKZPFULAH-KNVOCYPGSA-N -1 0 304.253 -0.245 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)C1(n3cnnn3)CC1)O2 ZINC001605988303 1018687471 /nfs/dbraw/zinc/68/74/71/1018687471.db2.gz XLDXGODBBGNHEP-QUNCOHTASA-N -1 0 321.337 -0.309 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)C1 ZINC001605977955 1018688487 /nfs/dbraw/zinc/68/84/87/1018688487.db2.gz ORNXAZWJUZAIQI-GMTAPVOTSA-N -1 0 316.379 -0.472 20 0 DBADRM CN(C(=O)c1c[nH]c(=O)n1C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001605977935 1018688955 /nfs/dbraw/zinc/68/89/55/1018688955.db2.gz WQSMISWYXPNCJU-RKDXNWHRSA-N -1 0 322.321 -0.871 20 0 DBADRM CN(C)C(=O)CCCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001605993391 1018691024 /nfs/dbraw/zinc/69/10/24/1018691024.db2.gz IUJVJSMCIPBSSX-UHFFFAOYSA-N -1 0 313.354 -0.706 20 0 DBADRM CN(C)[C@H](C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)c1cncn1C ZINC001606008486 1018694437 /nfs/dbraw/zinc/69/44/37/1018694437.db2.gz ZEJANVUEXSQTQP-NHCYSSNCSA-N -1 0 310.354 -0.683 20 0 DBADRM CN(C)C(=O)N1CCN(Cn2nc(C(=O)[O-])ccc2=O)CC1 ZINC001606004391 1018694917 /nfs/dbraw/zinc/69/49/17/1018694917.db2.gz ODKIPQYYIBZCBG-UHFFFAOYSA-N -1 0 309.326 -0.802 20 0 DBADRM CN(C)C(=O)NCCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001606001722 1018695023 /nfs/dbraw/zinc/69/50/23/1018695023.db2.gz BKJNECHKUNBNIS-UHFFFAOYSA-N -1 0 322.368 -0.609 20 0 DBADRM CN(C)CC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001606017440 1018696334 /nfs/dbraw/zinc/69/63/34/1018696334.db2.gz HBUOZRDBXHALOX-RUETXSTFSA-N -1 0 318.395 -0.525 20 0 DBADRM Cc1nc(C)c(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)s1 ZINC001606036316 1018703479 /nfs/dbraw/zinc/70/34/79/1018703479.db2.gz XCXORRVYTNGNRH-UHFFFAOYSA-N -1 0 319.354 -0.038 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC001606038675 1018704216 /nfs/dbraw/zinc/70/42/16/1018704216.db2.gz AFDZKNSXMAJTJN-UHFFFAOYSA-N -1 0 317.367 -0.098 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001606037262 1018704484 /nfs/dbraw/zinc/70/44/84/1018704484.db2.gz FTKSQCYFIJSYGN-UHFFFAOYSA-N -1 0 315.351 -0.323 20 0 DBADRM C[NH+](C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001606045772 1018704885 /nfs/dbraw/zinc/70/48/85/1018704885.db2.gz QYSIEJVOUIFRRF-OCAPTIKFSA-N -1 0 303.340 -0.009 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN[C@@H](C(=O)[O-])C1CCOCC1 ZINC001606045167 1018705018 /nfs/dbraw/zinc/70/50/18/1018705018.db2.gz HSSGIXDNPQZUON-WSVYEEACSA-N -1 0 321.399 -0.443 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN[C@]1(CC(=O)[O-])CCCOC1 ZINC001606045136 1018705279 /nfs/dbraw/zinc/70/52/79/1018705279.db2.gz GTLXTEOERNTXLW-LAJNKCICSA-N -1 0 321.399 -0.299 20 0 DBADRM CN(C)S(=O)(=O)c1ccccc1N1CC(O)(C(=O)[O-])C1 ZINC001606045411 1018705653 /nfs/dbraw/zinc/70/56/53/1018705653.db2.gz KQKGQDGFYJUUQV-UHFFFAOYSA-N -1 0 300.336 -0.427 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001606048190 1018705904 /nfs/dbraw/zinc/70/59/04/1018705904.db2.gz ZOTLQAVVKGQHTQ-AXFHLTTASA-N -1 0 322.317 -0.750 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)Cn1nnnc1-c1ccccc1 ZINC001606048125 1018706260 /nfs/dbraw/zinc/70/62/60/1018706260.db2.gz NWTFZDVFCYZKQQ-NSHDSACASA-N -1 0 317.305 -0.348 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN[C@H](C(=O)[O-])C1CCOCC1 ZINC001606045166 1018706310 /nfs/dbraw/zinc/70/63/10/1018706310.db2.gz HSSGIXDNPQZUON-WIUDPPPLSA-N -1 0 321.399 -0.443 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001606045171 1018706665 /nfs/dbraw/zinc/70/66/65/1018706665.db2.gz HUEMYSSRJZRLLP-GOSISDBHSA-N -1 0 313.401 -0.398 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN1CCCC[C@@H]1C(=O)[O-] ZINC001606045134 1018706716 /nfs/dbraw/zinc/70/67/16/1018706716.db2.gz GTFSYPSXMMBUHB-SNVBAGLBSA-N -1 0 316.383 -0.023 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1cn(CC2CC2)nn1 ZINC001606057682 1018707603 /nfs/dbraw/zinc/70/76/03/1018707603.db2.gz ROPUPJZITLAQTN-LLVKDONJSA-N -1 0 314.367 -0.628 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnn2ncccc12 ZINC001606057074 1018708059 /nfs/dbraw/zinc/70/80/59/1018708059.db2.gz LHMSRJZXTQRBJE-JTQLQIEISA-N -1 0 324.318 -0.947 20 0 DBADRM CN(C)c1cccc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])c1 ZINC001606061364 1018708924 /nfs/dbraw/zinc/70/89/24/1018708924.db2.gz IHXHEBKUXKAGLS-GFCCVEGCSA-N -1 0 302.352 -0.134 20 0 DBADRM O=C([O-])/C=C\c1cc(C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)co1 ZINC001606064241 1018709276 /nfs/dbraw/zinc/70/92/76/1018709276.db2.gz XYNVCHAAVKCKJB-JWXWKVPASA-N -1 0 320.301 -0.300 20 0 DBADRM CN(C)c1n[nH]c(NC(=O)Cn2cccc(C(=O)[O-])c2=O)n1 ZINC001606065838 1018709385 /nfs/dbraw/zinc/70/93/85/1018709385.db2.gz MLAWFOFXTPLQGM-UHFFFAOYSA-N -1 0 306.282 -0.631 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(CO)c1 ZINC001606056816 1018709448 /nfs/dbraw/zinc/70/94/48/1018709448.db2.gz AAMCCPXNFFSOHZ-LLVKDONJSA-N -1 0 313.331 -0.497 20 0 DBADRM O=C([O-])C=Cc1cc(C(=O)N2CC3(C2)NC(=O)NC3=O)co1 ZINC001606063634 1018709694 /nfs/dbraw/zinc/70/96/94/1018709694.db2.gz SHJBJMQKFHUNJJ-UPHRSURJSA-N -1 0 305.246 -0.589 20 0 DBADRM O=C([O-])CC1(C(=O)N2CCC[C@@](O)(CO)C2)CCOCC1 ZINC001606070673 1018710291 /nfs/dbraw/zinc/71/02/91/1018710291.db2.gz NIIMZHBCQFMKKQ-AWEZNQCLSA-N -1 0 301.339 -0.396 20 0 DBADRM CN(C)c1ncc(CNS(=O)(=O)CC2(C(=O)[O-])CC2)n1C ZINC001606068241 1018710998 /nfs/dbraw/zinc/71/09/98/1018710998.db2.gz HHJYIGZXYIWFCS-UHFFFAOYSA-N -1 0 316.383 -0.230 20 0 DBADRM CN(CC(=O)NC(C)(C)C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001606079084 1018711260 /nfs/dbraw/zinc/71/12/60/1018711260.db2.gz DTTOWMGBRPBRCW-VIFPVBQESA-N -1 0 313.354 -0.707 20 0 DBADRM CN(CC(=O)N[C@@H](CF)C(=O)[O-])S(=O)(=O)c1cccnc1 ZINC001606078994 1018711416 /nfs/dbraw/zinc/71/14/16/1018711416.db2.gz BOUCORCEKRIJQZ-VIFPVBQESA-N -1 0 319.314 -0.759 20 0 DBADRM CN(C)c1ncc(CN2CC(n3cc(C(=O)[O-])nn3)C2)n1C ZINC001606068265 1018711684 /nfs/dbraw/zinc/71/16/84/1018711684.db2.gz HXYUXVXRSIWYQQ-UHFFFAOYSA-N -1 0 305.342 -0.167 20 0 DBADRM CN(C1(C(N)=O)CCCC1)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001606072156 1018712678 /nfs/dbraw/zinc/71/26/78/1018712678.db2.gz LETJRINPVHECQN-UHFFFAOYSA-N -1 0 304.368 -0.089 20 0 DBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H](C(=O)[O-])C1CC1 ZINC001606080384 1018714107 /nfs/dbraw/zinc/71/41/07/1018714107.db2.gz AYQJZGGGEGXOCO-GXSJLCMTSA-N -1 0 304.368 -0.915 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCC(S(C)(=O)=O)CC1 ZINC001606086719 1018714872 /nfs/dbraw/zinc/71/48/72/1018714872.db2.gz QKOVYFUKOUXLDR-UHFFFAOYSA-N -1 0 306.384 -0.572 20 0 DBADRM CN(CC(=O)NC1(CC(=O)[O-])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001606080752 1018714953 /nfs/dbraw/zinc/71/49/53/1018714953.db2.gz OEFSWOFTEVVZJN-SECBINFHSA-N -1 0 304.368 -0.771 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001606094093 1018716399 /nfs/dbraw/zinc/71/63/99/1018716399.db2.gz PJZWXVYPDFPUKW-NWDGAFQWSA-N -1 0 312.366 -0.167 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001606096873 1018716927 /nfs/dbraw/zinc/71/69/27/1018716927.db2.gz RQLSDLWLOXPYDG-JTQLQIEISA-N -1 0 319.383 -0.762 20 0 DBADRM CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001606099259 1018716949 /nfs/dbraw/zinc/71/69/49/1018716949.db2.gz ASFGJEYJBBZTIB-SDDRHHMPSA-N -1 0 310.350 -0.105 20 0 DBADRM CN1C(=O)CN(CC(=O)N2CCSC[C@@H]2CC(=O)[O-])C1=O ZINC001606189155 1018717096 /nfs/dbraw/zinc/71/70/96/1018717096.db2.gz CYLFBGSXZJJRRR-QMMMGPOBSA-N -1 0 315.351 -0.701 20 0 DBADRM CN(C[C@@H](O)CN1CCOC[C@H]1C(=O)[O-])C(=O)OC(C)(C)C ZINC001606094759 1018717894 /nfs/dbraw/zinc/71/78/94/1018717894.db2.gz DCPQBXFWMGVKCF-MNOVXSKESA-N -1 0 318.370 0.000 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)N2CCN3C(=O)N=NC3C2)CO1 ZINC001606108523 1018720803 /nfs/dbraw/zinc/72/08/03/1018720803.db2.gz VXTATCPNFMJDLL-IUCAKERBSA-N -1 0 310.310 -0.404 20 0 DBADRM O=C([O-])CCC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC001606101857 1018720825 /nfs/dbraw/zinc/72/08/25/1018720825.db2.gz VPLJDUDLHWYLCT-UHFFFAOYSA-N -1 0 315.347 -0.066 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H](CO)c1cccnc1 ZINC001606106123 1018721505 /nfs/dbraw/zinc/72/15/05/1018721505.db2.gz XFFRLDUSRSMJAH-JTQLQIEISA-N -1 0 303.340 -0.644 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC001606190391 1018721580 /nfs/dbraw/zinc/72/15/80/1018721580.db2.gz VRCIDZCHUYACSE-SSDOTTSWSA-N -1 0 311.260 -0.670 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001606105612 1018722032 /nfs/dbraw/zinc/72/20/32/1018722032.db2.gz LHHZENGKCYRELZ-NSHDSACASA-N -1 0 323.415 -0.926 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCc2ncncc2C1 ZINC001606105341 1018722163 /nfs/dbraw/zinc/72/21/63/1018722163.db2.gz GWHJCPSKPCMJTG-UHFFFAOYSA-N -1 0 300.340 -0.514 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC001606190372 1018721998 /nfs/dbraw/zinc/72/19/98/1018721998.db2.gz SOYSYHXTTUOBPK-VHSXEESVSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCC(C2OCCO2)CC1 ZINC001606190742 1018722028 /nfs/dbraw/zinc/72/20/28/1018722028.db2.gz SSSYCNZEGYKRBA-UHFFFAOYSA-N -1 0 300.311 -0.811 20 0 DBADRM CN1CC(=O)N(CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)C1=O ZINC001606196149 1018722340 /nfs/dbraw/zinc/72/23/40/1018722340.db2.gz CGSKKDNXOSIOLB-VWYCJHECSA-N -1 0 323.349 -0.018 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2CCN(c3nc[nH]n3)CC2)CO1 ZINC001606108577 1018722479 /nfs/dbraw/zinc/72/24/79/1018722479.db2.gz XGIFUDIIJWTUEK-GHMZBOCLSA-N -1 0 323.353 -0.277 20 0 DBADRM CN1C[C@H](C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)NC1=O ZINC001606197353 1018722692 /nfs/dbraw/zinc/72/26/92/1018722692.db2.gz DIYRQWXGZCCIII-VXNVDRBHSA-N -1 0 307.310 -0.444 20 0 DBADRM CN1C(=O)NCC12CCN(Cc1cn(CC(=O)[O-])nn1)CC2 ZINC001606195009 1018722933 /nfs/dbraw/zinc/72/29/33/1018722933.db2.gz ZQSYQDMVNLZMLR-UHFFFAOYSA-N -1 0 308.342 -0.648 20 0 DBADRM CN1C[C@H](C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])NC1=O ZINC001606197348 1018722993 /nfs/dbraw/zinc/72/29/93/1018722993.db2.gz DIDDXQDSCIDHMH-GHMZBOCLSA-N -1 0 307.306 -0.342 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC001606190524 1018723164 /nfs/dbraw/zinc/72/31/64/1018723164.db2.gz ACJVXLQGBQKFRM-UHFFFAOYSA-N -1 0 309.326 -0.892 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001606197180 1018723560 /nfs/dbraw/zinc/72/35/60/1018723560.db2.gz RBVGPNXWONFUHC-SECBINFHSA-N -1 0 322.325 -0.931 20 0 DBADRM CN1CC(=O)N(CCCC(=O)Nc2cc(C(=O)[O-])nn2C)C1=O ZINC001606196588 1018723802 /nfs/dbraw/zinc/72/38/02/1018723802.db2.gz IZJWVRLXQVWTIK-UHFFFAOYSA-N -1 0 323.309 -0.269 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)[nH]1 ZINC001606118106 1018724644 /nfs/dbraw/zinc/72/46/44/1018724644.db2.gz ACBMYZLAZKXILD-PHDIDXHHSA-N -1 0 317.317 -0.677 20 0 DBADRM CN1C[C@H](C(=O)N[C@@](C)(CO)C(=O)[O-])c2ccccc2C1=O ZINC001606197994 1018724997 /nfs/dbraw/zinc/72/49/97/1018724997.db2.gz PUHTZGFSTIAJSD-NHYWBVRUSA-N -1 0 306.318 -0.192 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cnc(C3CC3)nc2N)CC1=O ZINC001606200329 1018725359 /nfs/dbraw/zinc/72/53/59/1018725359.db2.gz RAYQYFAJWDJDLK-SECBINFHSA-N -1 0 319.321 -0.696 20 0 DBADRM Cc1nn([C@H]2CCC(=O)NC2=O)c(=O)c(-c2nnn[n-]2)c1C ZINC001606114932 1018725531 /nfs/dbraw/zinc/72/55/31/1018725531.db2.gz BIVCIFRFYYMJKV-ZETCQYMHSA-N -1 0 303.282 -0.982 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc([S@](C)=O)cc2)CC1=O ZINC001606198940 1018725618 /nfs/dbraw/zinc/72/56/18/1018725618.db2.gz BQZXDMWJWYCRGR-XFNZEKPQSA-N -1 0 324.358 -0.209 20 0 DBADRM CN1C[C@H](C(=O)N[C@](C)(CC(=O)[O-])c2cccnc2)NC1=O ZINC001606198372 1018725785 /nfs/dbraw/zinc/72/57/85/1018725785.db2.gz UQGAQFHNHNAGCS-QMTHXVAHSA-N -1 0 306.322 -0.089 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)CSC(F)(F)F)CC1=O ZINC001606200524 1018726501 /nfs/dbraw/zinc/72/65/01/1018726501.db2.gz WCFAXJKYPUZUKN-YFKPBYRVSA-N -1 0 300.258 -0.007 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)CCOC2CCOCC2)CC1=O ZINC001606199486 1018726729 /nfs/dbraw/zinc/72/67/29/1018726729.db2.gz GECNEDILDRJSNV-NSHDSACASA-N -1 0 314.338 -0.674 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1cnn(C)n1 ZINC001606121199 1018727911 /nfs/dbraw/zinc/72/79/11/1018727911.db2.gz RTGPUCMOTJIXFZ-UWVGGRQHSA-N -1 0 323.353 -0.544 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cccc3c2OCC3)CC1=O ZINC001606200672 1018728106 /nfs/dbraw/zinc/72/81/06/1018728106.db2.gz ZSIFUVKCCDRQMG-NSHDSACASA-N -1 0 304.302 -0.011 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NCc2nnnn2C2CC2)CO1 ZINC001606111403 1018728638 /nfs/dbraw/zinc/72/86/38/1018728638.db2.gz GVDWNGGBLZKXHV-WCBMZHEXSA-N -1 0 309.326 -0.106 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(CC(=O)NC(C2CC2)C2CC2)CC1=O ZINC001606204929 1018730426 /nfs/dbraw/zinc/73/04/26/1018730426.db2.gz YAUCZBJIVLXJTO-LLVKDONJSA-N -1 0 309.366 -0.482 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1cn(C)nn1 ZINC001606121635 1018730494 /nfs/dbraw/zinc/73/04/94/1018730494.db2.gz ZTTUYCJBWQQZMH-VHSXEESVSA-N -1 0 323.353 -0.544 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C[C@H](O)COCc2ccccc2)CC1=O ZINC001606201460 1018731256 /nfs/dbraw/zinc/73/12/56/1018731256.db2.gz BQGPFODCEAYWFJ-UONOGXRCSA-N -1 0 322.361 -0.209 20 0 DBADRM CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)Cc1cnc[nH]1 ZINC001606122760 1018731527 /nfs/dbraw/zinc/73/15/27/1018731527.db2.gz VBPJUSAZJREORX-UHFFFAOYSA-N -1 0 318.337 -0.177 20 0 DBADRM CN(CCCNc1ncc(C(=O)[O-])cn1)C(=O)Cn1cncn1 ZINC001606122784 1018731599 /nfs/dbraw/zinc/73/15/99/1018731599.db2.gz WOJAGLMGWIKMLS-UHFFFAOYSA-N -1 0 319.325 -0.273 20 0 DBADRM CN(CCN(C)c1ccnc(C(=O)[O-])n1)C(=O)C1=COCCO1 ZINC001606127067 1018731980 /nfs/dbraw/zinc/73/19/80/1018731980.db2.gz STUHPALTKMXVOE-UHFFFAOYSA-N -1 0 322.321 -0.042 20 0 DBADRM CN(CCN(C)c1ncc(C(=O)[O-])cn1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001606126491 1018732932 /nfs/dbraw/zinc/73/29/32/1018732932.db2.gz FVIFLXNFUIBAKC-GDNZZTSVSA-N -1 0 320.349 -0.038 20 0 DBADRM CN(CCNC(=O)CCn1cncn1)c1ncc(C(=O)[O-])cn1 ZINC001606129699 1018733204 /nfs/dbraw/zinc/73/32/04/1018733204.db2.gz QQQYXFNUEDEYAZ-UHFFFAOYSA-N -1 0 319.325 -0.591 20 0 DBADRM Cc1nnc(NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)s1 ZINC001606123702 1018733580 /nfs/dbraw/zinc/73/35/80/1018733580.db2.gz YUCDBGFUAATUHH-UHFFFAOYSA-N -1 0 321.330 -0.560 20 0 DBADRM CN(CCNC(=O)[C@]1(C)CCC(=O)N1)c1ncc(C(=O)[O-])cn1 ZINC001606130539 1018736641 /nfs/dbraw/zinc/73/66/41/1018736641.db2.gz IFNLRXSFYAQNRM-AWEZNQCLSA-N -1 0 321.337 -0.604 20 0 DBADRM CN(CCn1cccn1)C(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606141716 1018739714 /nfs/dbraw/zinc/73/97/14/1018739714.db2.gz RORJMSXSFRALQB-PHIMTYICSA-N -1 0 308.338 -0.337 20 0 DBADRM CN(C[C@H]1CCCCN1C(=O)C(N)=O)c1ncc(C(=O)[O-])cn1 ZINC001606142870 1018740191 /nfs/dbraw/zinc/74/01/91/1018740191.db2.gz LOCHMSZYUBNOJA-SNVBAGLBSA-N -1 0 321.337 -0.523 20 0 DBADRM O=C([O-])CN(C(=O)/C=C/CN1CCOCC1)C1CCOCC1 ZINC001606215806 1018740192 /nfs/dbraw/zinc/74/01/92/1018740192.db2.gz AWVBHFUITPCLNY-OWOJBTEDSA-N -1 0 312.366 -0.033 20 0 DBADRM CN(CCc1cnccn1)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606141457 1018740979 /nfs/dbraw/zinc/74/09/79/1018740979.db2.gz VTLWXWWVOATOSH-GFCCVEGCSA-N -1 0 320.349 -0.199 20 0 DBADRM CN(CCc1ccncc1)C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001606141514 1018741961 /nfs/dbraw/zinc/74/19/61/1018741961.db2.gz ZUHQPVPBJGFPNP-VXGBXAGGSA-N -1 0 305.334 -0.081 20 0 DBADRM CN1CC[C@H](CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1=O ZINC001606212355 1018741733 /nfs/dbraw/zinc/74/17/33/1018741733.db2.gz KQABPOBHZABTKT-LPEHRKFASA-N -1 0 304.368 -0.363 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CC[C@@H](n2cncn2)C1 ZINC001606160158 1018742113 /nfs/dbraw/zinc/74/21/13/1018742113.db2.gz SUFQUKNQYYOBCE-SNVBAGLBSA-N -1 0 309.326 -0.577 20 0 DBADRM CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001606143096 1018742390 /nfs/dbraw/zinc/74/23/90/1018742390.db2.gz OZJXWPTUGFRTGB-TXEJJXNPSA-N -1 0 312.366 -0.071 20 0 DBADRM CN1CC[C@H](NC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001606216080 1018743294 /nfs/dbraw/zinc/74/32/94/1018743294.db2.gz OLEYNJXQYANDNF-IUCAKERBSA-N -1 0 322.325 -0.837 20 0 DBADRM CN(Cc1cn(C)nn1)C(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001606172376 1018744875 /nfs/dbraw/zinc/74/48/75/1018744875.db2.gz FRXCQYPUPQTCHP-JTQLQIEISA-N -1 0 323.353 -0.609 20 0 DBADRM CN(Cc1cccnc1)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001606170929 1018745140 /nfs/dbraw/zinc/74/51/40/1018745140.db2.gz JTUGQBMLTWQHLF-NWDGAFQWSA-N -1 0 321.333 -0.666 20 0 DBADRM CN(Cc1cn(CC(N)=O)nn1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001606172385 1018745301 /nfs/dbraw/zinc/74/53/01/1018745301.db2.gz FYIALOPEGQOERI-NSHDSACASA-N -1 0 311.342 -0.783 20 0 DBADRM O=C([O-])CCCN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O ZINC001606171778 1018745765 /nfs/dbraw/zinc/74/57/65/1018745765.db2.gz DSRDXDRGZISDLH-UHFFFAOYSA-N -1 0 304.324 -0.650 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1=O ZINC001606221998 1018746951 /nfs/dbraw/zinc/74/69/51/1018746951.db2.gz WCMBZFOGINMYQA-ATZCPNFKSA-N -1 0 318.337 -0.315 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CC2(O)CCCCC2)c1=O ZINC001606221737 1018748993 /nfs/dbraw/zinc/74/89/93/1018748993.db2.gz NIAWEUNKPLIOJL-UHFFFAOYSA-N -1 0 306.326 -0.578 20 0 DBADRM CN1CCC[C@H](C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001606223529 1018755244 /nfs/dbraw/zinc/75/52/44/1018755244.db2.gz RJCVTJBFRUGSAB-UWVGGRQHSA-N -1 0 321.337 -0.382 20 0 DBADRM CN1CCN(C(=O)C[C@@H]2C=CS(=O)(=O)C2)C[C@@H](C(=O)[O-])C1 ZINC001606228395 1018755593 /nfs/dbraw/zinc/75/55/93/1018755593.db2.gz HMSWEOSQZMTYBD-QWRGUYRKSA-N -1 0 316.379 -0.590 20 0 DBADRM CN1CCC[C@@H]1C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001606228744 1018756212 /nfs/dbraw/zinc/75/62/12/1018756212.db2.gz JQAHGOJRCJIGHE-SNVBAGLBSA-N -1 0 318.395 -0.381 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CC[C@H](Nc3ncccn3)C2)C1=O ZINC001606231499 1018757529 /nfs/dbraw/zinc/75/75/29/1018757529.db2.gz JSQMPRHBRCZTLR-WDEREUQCSA-N -1 0 305.338 -0.352 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCN(CC(F)(F)F)CC2)C1=O ZINC001606232140 1018758339 /nfs/dbraw/zinc/75/83/39/1018758339.db2.gz QDFJOORJAXPBKN-VIFPVBQESA-N -1 0 309.288 -0.148 20 0 DBADRM O=C([O-])CN1CC[C@H](N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC001606232433 1018760246 /nfs/dbraw/zinc/76/02/46/1018760246.db2.gz VJNQRPGFLBRMBQ-MNOVXSKESA-N -1 0 316.379 -0.677 20 0 DBADRM CN1CCN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1(C)C ZINC001606230226 1018761171 /nfs/dbraw/zinc/76/11/71/1018761171.db2.gz XKSZGANJQFKEGV-NSHDSACASA-N -1 0 309.366 -0.171 20 0 DBADRM CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC(=O)[O-] ZINC001606234646 1018765891 /nfs/dbraw/zinc/76/58/91/1018765891.db2.gz QRIUQXKNMHTBIY-VIFPVBQESA-N -1 0 301.343 -0.262 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)c1cc(C(=O)[O-])ccn1 ZINC001606232861 1018766223 /nfs/dbraw/zinc/76/62/23/1018766223.db2.gz BZXBXPXUVOTCJN-UHFFFAOYSA-N -1 0 320.349 -0.374 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)C1=O ZINC001606232741 1018766748 /nfs/dbraw/zinc/76/67/48/1018766748.db2.gz YDWHXQHGFCPQDS-LREIFRQCSA-N -1 0 300.380 -0.343 20 0 DBADRM CN1CCN(C(=O)CNC(=O)Nc2ccc(C(=O)[O-])nc2)CC1 ZINC001606233469 1018766853 /nfs/dbraw/zinc/76/68/53/1018766853.db2.gz RCOVVVKDRNBZJH-UHFFFAOYSA-N -1 0 321.337 -0.325 20 0 DBADRM CNC(=O)C[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001606267512 1018790659 /nfs/dbraw/zinc/79/06/59/1018790659.db2.gz HCOCPZMSUUAGNV-ZETCQYMHSA-N -1 0 301.324 -0.417 20 0 DBADRM CN1CCN(CC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)CC1=O ZINC001606239283 1018773102 /nfs/dbraw/zinc/77/31/02/1018773102.db2.gz MPTGJSWTDDOMKZ-CYBMUJFWSA-N -1 0 319.361 -0.255 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)CCn2ccccc2=O)C1=O ZINC001606247819 1018775367 /nfs/dbraw/zinc/77/53/67/1018775367.db2.gz KQZKCTCZIPFFGN-JTQLQIEISA-N -1 0 308.290 -0.533 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCCNc2ncccn2)C1=O ZINC001606248986 1018775447 /nfs/dbraw/zinc/77/54/47/1018775447.db2.gz CZSOJGSKRLIDOS-SNVBAGLBSA-N -1 0 321.337 -0.672 20 0 DBADRM CN1CCO[C@H](C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)C1=O ZINC001606246869 1018775711 /nfs/dbraw/zinc/77/57/11/1018775711.db2.gz AHDLVAJJSUKLDQ-RYUDHWBXSA-N -1 0 320.301 -0.278 20 0 DBADRM CN1CCO[C@@H](C(=O)N(CCC(=O)[O-])Cc2ccncc2)C1=O ZINC001606247657 1018776307 /nfs/dbraw/zinc/77/63/07/1018776307.db2.gz QTDQJJNHPFOIJN-CYBMUJFWSA-N -1 0 321.333 -0.258 20 0 DBADRM CN1CCO[C@@H](C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)C1=O ZINC001606246867 1018776404 /nfs/dbraw/zinc/77/64/04/1018776404.db2.gz AHDLVAJJSUKLDQ-NWDGAFQWSA-N -1 0 320.301 -0.278 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)[C@@H]2CCc3ncncc3C2)C1=O ZINC001606247107 1018776696 /nfs/dbraw/zinc/77/66/96/1018776696.db2.gz FFIPASBTLRYBBU-SKDRFNHKSA-N -1 0 319.317 -0.190 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)c2cc3c(cn2)OCCO3)C1=O ZINC001606248444 1018776784 /nfs/dbraw/zinc/77/67/84/1018776784.db2.gz YEVGDSNZRXGHRI-VIFPVBQESA-N -1 0 322.273 -0.305 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2C(=O)N=NC2c2cccnc2)C1=O ZINC001606247799 1018777482 /nfs/dbraw/zinc/77/74/82/1018777482.db2.gz KBDCVBLTHJOBAW-SECBINFHSA-N -1 0 303.278 -0.096 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCc2nncn2C2CC2)C1=O ZINC001606253112 1018779424 /nfs/dbraw/zinc/77/94/24/1018779424.db2.gz JHPQVZNTBNFHPB-JTQLQIEISA-N -1 0 321.337 -0.448 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606251195 1018779562 /nfs/dbraw/zinc/77/95/62/1018779562.db2.gz UXEVUAQHWHNZAO-SECBINFHSA-N -1 0 322.321 -0.835 20 0 DBADRM CN1CN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1=O ZINC001606252527 1018780268 /nfs/dbraw/zinc/78/02/68/1018780268.db2.gz PDVHTMZCXYJFIV-UHFFFAOYSA-N -1 0 302.283 -0.056 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCCCc2nnc[nH]2)C1=O ZINC001606250110 1018780309 /nfs/dbraw/zinc/78/03/09/1018780309.db2.gz JAHSDBPWJLLYOR-VIFPVBQESA-N -1 0 309.326 -0.823 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC001606249704 1018780380 /nfs/dbraw/zinc/78/03/80/1018780380.db2.gz MHQZZZNXANVKQH-HTAVTVPLSA-N -1 0 320.411 -0.120 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N2CCC[C@@](C)(C(=O)[O-])C2)C1 ZINC001606251163 1018781299 /nfs/dbraw/zinc/78/12/99/1018781299.db2.gz UGIMFQBUROVUBH-WCQYABFASA-N -1 0 320.411 -0.167 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N[C@H](CO)CCF)C1=O ZINC001606257694 1018781917 /nfs/dbraw/zinc/78/19/17/1018781917.db2.gz OPOALHOIKZISCH-UWVGGRQHSA-N -1 0 319.333 -0.528 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)OCc2ccc[n+]([O-])c2)C1=O ZINC001606253642 1018782838 /nfs/dbraw/zinc/78/28/38/1018782838.db2.gz VBCFXZGHIRBZMC-LLVKDONJSA-N -1 0 308.290 -0.314 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)NCc1ccc(C(=O)[O-])o1 ZINC001606258887 1018782971 /nfs/dbraw/zinc/78/29/71/1018782971.db2.gz HZNOEQKFZHHIPJ-MRVPVSSYSA-N -1 0 305.294 -0.182 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NC[C@H]2CCOC2)C1=O ZINC001606255369 1018784198 /nfs/dbraw/zinc/78/41/98/1018784198.db2.gz LVNDRPXBHDNTQB-GHMZBOCLSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NCc2ccncn2)C1=O ZINC001606255136 1018784612 /nfs/dbraw/zinc/78/46/12/1018784612.db2.gz FYYANMRBKHIKMR-NSHDSACASA-N -1 0 321.337 -0.259 20 0 DBADRM CN1Cc2ccc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])cc2C1 ZINC001606260201 1018786127 /nfs/dbraw/zinc/78/61/27/1018786127.db2.gz YGXJBAXBRSODOE-GFCCVEGCSA-N -1 0 321.333 -0.478 20 0 DBADRM CN1Cc2ccc(NC(=O)C(=O)N3CC(O)(C(=O)[O-])C3)cc2C1 ZINC001606259250 1018786598 /nfs/dbraw/zinc/78/65/98/1018786598.db2.gz NIMIABKRXMLKQH-UHFFFAOYSA-N -1 0 319.317 -0.772 20 0 DBADRM CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001606264632 1018786640 /nfs/dbraw/zinc/78/66/40/1018786640.db2.gz ZOLHSDJBYXKEDM-MMWGEVLESA-N -1 0 313.354 -0.215 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001606264139 1018786812 /nfs/dbraw/zinc/78/68/12/1018786812.db2.gz VOMVCBUCLLWTJB-DBIOUOCHSA-N -1 0 313.354 -0.622 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)C(=O)COCc1ocnc1C(=O)[O-] ZINC001606259544 1018788271 /nfs/dbraw/zinc/78/82/71/1018788271.db2.gz IPAYLGNRXMALGJ-QMMMGPOBSA-N -1 0 313.310 -0.270 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001606264634 1018788499 /nfs/dbraw/zinc/78/84/99/1018788499.db2.gz ZOLHSDJBYXKEDM-VLEAKVRGSA-N -1 0 313.354 -0.215 20 0 DBADRM CNC(=O)CCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001606268988 1018789131 /nfs/dbraw/zinc/78/91/31/1018789131.db2.gz BKENTFNDBXWATH-IUCAKERBSA-N -1 0 301.343 -0.613 20 0 DBADRM CNC(=O)CCCCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001606269018 1018789171 /nfs/dbraw/zinc/78/91/71/1018789171.db2.gz CFPVUVMINHFWQU-JTQLQIEISA-N -1 0 313.354 -0.515 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)c2ccsc2CC(=O)[O-])CCO1 ZINC001606265858 1018789451 /nfs/dbraw/zinc/78/94/51/1018789451.db2.gz DSHHXBHTIBWCED-VIFPVBQESA-N -1 0 312.347 -0.038 20 0 DBADRM CNC(=O)C[C@@H](C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001606267353 1018791050 /nfs/dbraw/zinc/79/10/50/1018791050.db2.gz BIWCWEGGDIGZRO-RXMQYKEDSA-N -1 0 304.328 -0.781 20 0 DBADRM CNC(=O)CC(=O)OCCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC001606266105 1018792710 /nfs/dbraw/zinc/79/27/10/1018792710.db2.gz IMFJYIKXSQJIBK-POHAHGRESA-N -1 0 316.335 -0.443 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@]2(C)C=CCC2)c1[O-] ZINC001501488747 1018793634 /nfs/dbraw/zinc/79/36/34/1018793634.db2.gz BAOOQMCIRALDOM-ZUZCIYMTSA-N -1 0 322.365 -0.013 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001606271468 1018793872 /nfs/dbraw/zinc/79/38/72/1018793872.db2.gz SVGLLIYIAAWCES-ARJAWSKDSA-N -1 0 323.305 -0.688 20 0 DBADRM O=C([O-])COCC(=O)O[C@@H]1CCN(C2CCOCC2)C1=O ZINC001606274356 1018794831 /nfs/dbraw/zinc/79/48/31/1018794831.db2.gz AHDVEFAWUINFBY-SNVBAGLBSA-N -1 0 301.295 -0.589 20 0 DBADRM O=C([O-])COCC(=O)N1CSC[C@H]1C(=O)NCC1CC1 ZINC001606274090 1018794857 /nfs/dbraw/zinc/79/48/57/1018794857.db2.gz YKRTXUGQFBTINF-VIFPVBQESA-N -1 0 302.352 -0.485 20 0 DBADRM CNC(=O)CN(C)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001606270744 1018795243 /nfs/dbraw/zinc/79/52/43/1018795243.db2.gz LEPPGAVYLWYNKO-UHFFFAOYSA-N -1 0 300.340 -0.614 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001606273161 1018796042 /nfs/dbraw/zinc/79/60/42/1018796042.db2.gz LIEPLBNJYYGSQT-UHFFFAOYSA-N -1 0 315.232 -0.536 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001606274012 1018796455 /nfs/dbraw/zinc/79/64/55/1018796455.db2.gz YSWHYYISTGFXFX-UHFFFAOYSA-N -1 0 313.697 -0.161 20 0 DBADRM CNC(=O)CCCNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001606269951 1018796639 /nfs/dbraw/zinc/79/66/39/1018796639.db2.gz VUNBUWNSLFMLJY-CYBMUJFWSA-N -1 0 312.326 -0.472 20 0 DBADRM O=C([O-])COCC(=O)N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC001606273323 1018798129 /nfs/dbraw/zinc/79/81/29/1018798129.db2.gz BDMGIZCMMASNAF-GWCFXTLKSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])COCC(=O)N[C@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001606272780 1018798207 /nfs/dbraw/zinc/79/82/07/1018798207.db2.gz IWSGLKGNOGJJPJ-VIFPVBQESA-N -1 0 305.352 -0.296 20 0 DBADRM CNC(=O)CCCNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001606269952 1018798400 /nfs/dbraw/zinc/79/84/00/1018798400.db2.gz VUNBUWNSLFMLJY-ZDUSSCGKSA-N -1 0 312.326 -0.472 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cn1 ZINC001606277487 1018799437 /nfs/dbraw/zinc/79/94/37/1018799437.db2.gz NQVKRXCMFXSIMF-WCBMZHEXSA-N -1 0 309.326 -0.044 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC001606279462 1018799708 /nfs/dbraw/zinc/79/97/08/1018799708.db2.gz REODACMMLGQKGO-ARNPGYACSA-N -1 0 304.368 -0.217 20 0 DBADRM CNC(=O)Cc1nc(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)cs1 ZINC001606278000 1018800090 /nfs/dbraw/zinc/80/00/90/1018800090.db2.gz XMPFHCCINCKQCS-WPRPVWTQSA-N -1 0 313.379 -0.301 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@@H](N2CCOC2=O)C1 ZINC001606279511 1018800309 /nfs/dbraw/zinc/80/03/09/1018800309.db2.gz XYMNKZOTXNCLDT-SECBINFHSA-N -1 0 301.299 -0.676 20 0 DBADRM CNC(=O)Cc1noc(CN2CCSC[C@@H]2CC(=O)[O-])n1 ZINC001606277052 1018800472 /nfs/dbraw/zinc/80/04/72/1018800472.db2.gz AFSKNFHWTRXPOG-QMMMGPOBSA-N -1 0 314.367 -0.250 20 0 DBADRM CNC(=O)Cc1nc(CN2C[C@H](O)C[C@H](C(=O)[O-])C2)cs1 ZINC001606277999 1018800534 /nfs/dbraw/zinc/80/05/34/1018800534.db2.gz XMPFHCCINCKQCS-WCBMZHEXSA-N -1 0 313.379 -0.301 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001606283711 1018801469 /nfs/dbraw/zinc/80/14/69/1018801469.db2.gz IKSVHPNQZAQQAH-YUMQZZPRSA-N -1 0 309.326 -0.150 20 0 DBADRM Cn1nccc1[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)CCO1 ZINC001606282214 1018801574 /nfs/dbraw/zinc/80/15/74/1018801574.db2.gz UNLAWNLVVSMAJX-JTQLQIEISA-N -1 0 313.325 -0.032 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)c1ccc(C(=O)[O-])o1 ZINC001606280019 1018801720 /nfs/dbraw/zinc/80/17/20/1018801720.db2.gz ANTZCCRULZLDDA-QMMMGPOBSA-N -1 0 311.294 -0.252 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001606283582 1018801838 /nfs/dbraw/zinc/80/18/38/1018801838.db2.gz HBEPRVBBYQLGTI-QMMMGPOBSA-N -1 0 307.306 -0.118 20 0 DBADRM CNC(=O)NC[C@H]1CN(Cc2cnc(C(=O)[O-])cn2)CCO1 ZINC001606282047 1018802248 /nfs/dbraw/zinc/80/22/48/1018802248.db2.gz WBIADPYYEMPWJT-JTQLQIEISA-N -1 0 309.326 -0.695 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1cc2n(n1)CCCO2 ZINC001606284734 1018802955 /nfs/dbraw/zinc/80/29/55/1018802955.db2.gz JAPCLYZIAYVXBO-UHFFFAOYSA-N -1 0 313.310 -0.487 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])n1 ZINC001606287643 1018803054 /nfs/dbraw/zinc/80/30/54/1018803054.db2.gz HFXVZSXDXZKSQO-MNOVXSKESA-N -1 0 307.306 -0.509 20 0 DBADRM Cn1nnnc1C1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001606286706 1018803276 /nfs/dbraw/zinc/80/32/76/1018803276.db2.gz VXWXMKYJGGUEJD-UHFFFAOYSA-N -1 0 313.329 -0.436 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCC[C@H](CO)C1 ZINC001606284924 1018804026 /nfs/dbraw/zinc/80/40/26/1018804026.db2.gz RJUZOVACXUKIJP-NSHDSACASA-N -1 0 304.343 -0.482 20 0 DBADRM O=C([O-])COc1cccc(C(=O)Nn2ccc(=O)[nH]c2=O)c1 ZINC001606291645 1018804677 /nfs/dbraw/zinc/80/46/77/1018804677.db2.gz VUOKMZVYFFNFFX-UHFFFAOYSA-N -1 0 305.246 -0.204 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001606301949 1018807200 /nfs/dbraw/zinc/80/72/00/1018807200.db2.gz WGIBIFKBHMXTFQ-SECBINFHSA-N -1 0 307.372 -0.810 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC(N2CCOC2=O)CC1 ZINC001606291274 1018805431 /nfs/dbraw/zinc/80/54/31/1018805431.db2.gz FRYZFWPXFMAALK-UHFFFAOYSA-N -1 0 320.367 -0.598 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN[C@H]1CN(c2ccccc2)C1=O ZINC001606296566 1018805662 /nfs/dbraw/zinc/80/56/62/1018805662.db2.gz IYDFHBRPWJJCHK-NSHDSACASA-N -1 0 312.347 -0.509 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)NC(C)(C)CC(=O)[O-])CC1 ZINC001606301326 1018806484 /nfs/dbraw/zinc/80/64/84/1018806484.db2.gz BQSQTOFIFTVWCD-UHFFFAOYSA-N -1 0 321.399 -0.468 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H](CCF)C(=O)[O-])o1 ZINC001606304809 1018808800 /nfs/dbraw/zinc/80/88/00/1018808800.db2.gz YGRQZUALRJVQBL-ZCFIWIBFSA-N -1 0 308.287 -0.270 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)NCC2(C(=O)[O-])CC2)C1 ZINC001606299111 1018806592 /nfs/dbraw/zinc/80/65/92/1018806592.db2.gz SIWVCNSESLFCQL-QMMMGPOBSA-N -1 0 305.356 -0.816 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=S)NCCCC(=O)[O-])C1 ZINC001606299306 1018806709 /nfs/dbraw/zinc/80/67/09/1018806709.db2.gz XNOTYQWUKSTQGH-QMMMGPOBSA-N -1 0 309.413 -0.651 20 0 DBADRM CNS(=O)(=O)N1CCN([C@H](C(=O)[O-])c2ccsc2)CC1 ZINC001606301635 1018806729 /nfs/dbraw/zinc/80/67/29/1018806729.db2.gz LMVSVPCWOKTJPM-JTQLQIEISA-N -1 0 319.408 -0.044 20 0 DBADRM CNS(=O)(=O)NCC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC001606301362 1018807223 /nfs/dbraw/zinc/80/72/23/1018807223.db2.gz DTXBKKBLGGVMQV-LLVKDONJSA-N -1 0 315.351 -0.676 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[C@]2(O)C1 ZINC001606313105 1018807756 /nfs/dbraw/zinc/80/77/56/1018807756.db2.gz PWFSOWXSJHOCIH-BONVTDFDSA-N -1 0 304.302 -0.155 20 0 DBADRM CNS(=O)(=O)c1ccc(Cn2cnc(C(=O)[O-])cc2=O)cc1 ZINC001606306504 1018807846 /nfs/dbraw/zinc/80/78/46/1018807846.db2.gz PFAVDBDZDZEJNY-UHFFFAOYSA-N -1 0 323.330 -0.102 20 0 DBADRM CNc1ccc(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cn1 ZINC001606310893 1018808252 /nfs/dbraw/zinc/80/82/52/1018808252.db2.gz CSNMMERWFMXLBS-PSASIEDQSA-N -1 0 322.321 -0.238 20 0 DBADRM CNc1cnc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(=O)OC)cn1 ZINC001606313319 1018808360 /nfs/dbraw/zinc/80/83/60/1018808360.db2.gz OJBPFCSAVGOZQO-SCZZXKLOSA-N -1 0 322.321 -0.003 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H](CCF)C(=O)[O-])cn1 ZINC001606304394 1018808533 /nfs/dbraw/zinc/80/85/33/1018808533.db2.gz JLPYTUILTKZJQS-MRVPVSSYSA-N -1 0 319.314 -0.468 20 0 DBADRM Fc1cc(-c2nn[nH]n2)cnc1N1CCN(C2COC2)CC1 ZINC001606307890 1018808648 /nfs/dbraw/zinc/80/86/48/1018808648.db2.gz PZOXPJLLBZHUJL-UHFFFAOYSA-N -1 0 305.317 -0.078 20 0 DBADRM CNc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cn1 ZINC001606309905 1018808742 /nfs/dbraw/zinc/80/87/42/1018808742.db2.gz COOZOAMQXXZJBU-SNVBAGLBSA-N -1 0 306.322 -0.071 20 0 DBADRM CNc1cnc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(=O)OC)cn1 ZINC001606313317 1018808766 /nfs/dbraw/zinc/80/87/66/1018808766.db2.gz OJBPFCSAVGOZQO-PSASIEDQSA-N -1 0 322.321 -0.003 20 0 DBADRM COC(=O)[C@H](C)OC(=O)[C@H]1[C@H](C(=O)O[C@@H](C)C(=O)[O-])[C@@H]1C ZINC001606321230 1018809243 /nfs/dbraw/zinc/80/92/43/1018809243.db2.gz DIRUTSNTNOLXNL-OAHBRNHXSA-N -1 0 302.279 -0.011 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)/C=C/CN1CCOCC1 ZINC001606324095 1018809389 /nfs/dbraw/zinc/80/93/89/1018809389.db2.gz UGQFOLMJINEPCK-VMZHVLLKSA-N -1 0 300.311 -0.993 20 0 DBADRM CNc1nnc(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)s1 ZINC001606315557 1018809444 /nfs/dbraw/zinc/80/94/44/1018809444.db2.gz SLKUBGKRCXSJSE-ZETCQYMHSA-N -1 0 300.340 -0.176 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1 ZINC001606321384 1018809719 /nfs/dbraw/zinc/80/97/19/1018809719.db2.gz IHEVXSLJXKIQID-VXNVDRBHSA-N -1 0 319.339 -0.726 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](C)Sc1nncn1C ZINC001606322447 1018809750 /nfs/dbraw/zinc/80/97/50/1018809750.db2.gz DGFAWRBNMYTQAM-RQJHMYQMSA-N -1 0 316.339 -0.572 20 0 DBADRM COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606320113 1018809815 /nfs/dbraw/zinc/80/98/15/1018809815.db2.gz DODXDAJJIQGUOS-NOZJJQNGSA-N -1 0 312.326 -0.463 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CN1CSCCSC1 ZINC001606323581 1018810221 /nfs/dbraw/zinc/81/02/21/1018810221.db2.gz KTHLLMWQHUIQGI-MRVPVSSYSA-N -1 0 322.408 -0.184 20 0 DBADRM CNc1nnc(CC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)s1 ZINC001606315102 1018810233 /nfs/dbraw/zinc/81/02/33/1018810233.db2.gz IHUHSZNUMUFLNE-NKWVEPMBSA-N -1 0 300.340 -0.584 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001606321160 1018810255 /nfs/dbraw/zinc/81/02/55/1018810255.db2.gz BVUIXZPYMZPIBK-JTQLQIEISA-N -1 0 322.383 -0.782 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)nn1 ZINC001606326844 1018810854 /nfs/dbraw/zinc/81/08/54/1018810854.db2.gz YHGHVHNRFMSZTK-SECBINFHSA-N -1 0 322.325 -0.961 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)nn1 ZINC001606326098 1018811069 /nfs/dbraw/zinc/81/10/69/1018811069.db2.gz JUFWTDXOSFIAFG-NWDGAFQWSA-N -1 0 323.353 -0.966 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)nn1 ZINC001606326211 1018811158 /nfs/dbraw/zinc/81/11/58/1018811158.db2.gz MJYOYPGZSDMAMS-UWVGGRQHSA-N -1 0 312.351 -0.291 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC001606324821 1018811393 /nfs/dbraw/zinc/81/13/93/1018811393.db2.gz XTERCDMBPQFQLX-ONGXEEELSA-N -1 0 322.317 -0.063 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2NC(=O)CC23CCCCC3)nn1 ZINC001606325813 1018811482 /nfs/dbraw/zinc/81/14/82/1018811482.db2.gz GRICLXUQBMPODR-UHFFFAOYSA-N -1 0 307.310 -0.057 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCOC[C@@H]2C(F)(F)F)nn1 ZINC001606326917 1018811600 /nfs/dbraw/zinc/81/16/00/1018811600.db2.gz ZYKWPRQRTFTDSF-SSDOTTSWSA-N -1 0 308.216 -0.234 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CCC(OCC(N)=O)CC1 ZINC001606331080 1018811834 /nfs/dbraw/zinc/81/18/34/1018811834.db2.gz LTVIFJYAIPTXEF-JTQLQIEISA-N -1 0 302.327 -0.641 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1CCC[C@H](N2CCNC2=O)C1 ZINC001606334740 1018812460 /nfs/dbraw/zinc/81/24/60/1018812460.db2.gz ZNFMMOQLZMLQNM-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CCC23CCOCC3)n1 ZINC001606341557 1018812550 /nfs/dbraw/zinc/81/25/50/1018812550.db2.gz UJBVVXMMGZHVPM-UHFFFAOYSA-N -1 0 322.321 -0.312 20 0 DBADRM COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001606343999 1018812568 /nfs/dbraw/zinc/81/25/68/1018812568.db2.gz ZVSILLLOFUCDGI-QMMMGPOBSA-N -1 0 321.307 -0.431 20 0 DBADRM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1C[C@H](O)C[C@H]1C(N)=O ZINC001606345430 1018812606 /nfs/dbraw/zinc/81/26/06/1018812606.db2.gz YUNPYARQYIHTLM-GRYCIOLGSA-N -1 0 322.317 -0.481 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)CNC(=O)c2cccnc2)cn1 ZINC001606339586 1018812951 /nfs/dbraw/zinc/81/29/51/1018812951.db2.gz NCMZYNHGBZMMIW-UHFFFAOYSA-N -1 0 303.278 -0.269 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC001606342522 1018812978 /nfs/dbraw/zinc/81/29/78/1018812978.db2.gz NWGFANPKIRHJDR-LBPRGKRZSA-N -1 0 319.379 -0.033 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NC[C@H](O)c2ccco2)n1 ZINC001606341365 1018813153 /nfs/dbraw/zinc/81/31/53/1018813153.db2.gz SILNGLFBXLQPLV-QMMMGPOBSA-N -1 0 322.277 -0.651 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCc2cnn3ccccc23)nn1 ZINC001606331215 1018813216 /nfs/dbraw/zinc/81/32/16/1018813216.db2.gz PZKCCGKGZPHCEK-UHFFFAOYSA-N -1 0 300.278 -0.060 20 0 DBADRM COC(=O)C12CCC(C(=O)NCC(=O)NCC(=O)[O-])(CC1)C2 ZINC001606356575 1018815384 /nfs/dbraw/zinc/81/53/84/1018815384.db2.gz AFCWCPCCABWBQJ-UHFFFAOYSA-N -1 0 312.322 -0.573 20 0 DBADRM COC(=O)[C@]1(O)CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001606356692 1018815426 /nfs/dbraw/zinc/81/54/26/1018815426.db2.gz HULYHIXUTOLQMH-LBPRGKRZSA-N -1 0 321.351 -0.819 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@H](CO)[C@@H]2CCOC2)c1=O ZINC001606355313 1018815702 /nfs/dbraw/zinc/81/57/02/1018815702.db2.gz OSMBDGNOGCXLPU-KOLCDFICSA-N -1 0 310.306 -0.940 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@H](CO)[C@H]2CCCOC2)c1=O ZINC001606355226 1018815804 /nfs/dbraw/zinc/81/58/04/1018815804.db2.gz MJXOPGCAVSDJEL-CMPLNLGQSA-N -1 0 324.333 -0.550 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCC[C@]2(O)CCOC2)c1=O ZINC001606355168 1018816475 /nfs/dbraw/zinc/81/64/75/1018816475.db2.gz IWZFKZIPFDAFTG-AWEZNQCLSA-N -1 0 310.306 -0.796 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@H](CO)C(F)(F)F)c1=O ZINC001606355398 1018816631 /nfs/dbraw/zinc/81/66/31/1018816631.db2.gz RXAYVOUKLUFXOT-SSDOTTSWSA-N -1 0 308.212 -0.414 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1c[nH]c(=O)n1C ZINC001606370017 1018817392 /nfs/dbraw/zinc/81/73/92/1018817392.db2.gz JAERRHRKAMUHJQ-YUMQZZPRSA-N -1 0 311.294 -0.396 20 0 DBADRM COC(=O)[C@H]1CC(=O)N(CN2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001606369732 1018817680 /nfs/dbraw/zinc/81/76/80/1018817680.db2.gz FMMNAQHAVGKBEU-VHSXEESVSA-N -1 0 300.311 -0.859 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1CCCS(N)(=O)=O ZINC001606375052 1018817769 /nfs/dbraw/zinc/81/77/69/1018817769.db2.gz RFOJALVWGDNAFD-DTWKUNHWSA-N -1 0 308.356 -0.997 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001606372779 1018817810 /nfs/dbraw/zinc/81/78/10/1018817810.db2.gz ZIJFFICJFOFROK-AEJSXWLSSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1c[nH]c(=O)n1C ZINC001606370016 1018818066 /nfs/dbraw/zinc/81/80/66/1018818066.db2.gz JAERRHRKAMUHJQ-SFYZADRCSA-N -1 0 311.294 -0.396 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001606368946 1018818233 /nfs/dbraw/zinc/81/82/33/1018818233.db2.gz AEXSJXLMLDDATE-XCBNKYQSSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)C[C@@H]1CCNC1=O ZINC001606370996 1018818333 /nfs/dbraw/zinc/81/83/33/1018818333.db2.gz QQJZJTKAWRVEGT-GUBZILKMSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CN(C)C(C)=O ZINC001606383850 1018818933 /nfs/dbraw/zinc/81/89/33/1018818933.db2.gz KYDLLHACOFOOLQ-UWVGGRQHSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1COCCO1 ZINC001606383333 1018818962 /nfs/dbraw/zinc/81/89/62/1018818962.db2.gz DTGIRRYBKJTNKV-GUBZILKMSA-N -1 0 301.295 -0.733 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(CO)on1 ZINC001606383702 1018819477 /nfs/dbraw/zinc/81/94/77/1018819477.db2.gz JAQRJZRWQVLEDQ-OIBJUYFYSA-N -1 0 312.278 -0.355 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1CCCC(=O)N1 ZINC001606383073 1018819693 /nfs/dbraw/zinc/81/96/93/1018819693.db2.gz BCKFQPSJKXJKPB-AEJSXWLSSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001606377698 1018819818 /nfs/dbraw/zinc/81/98/18/1018819818.db2.gz NGAFGEBZKJPDMS-DTWKUNHWSA-N -1 0 323.367 -0.717 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001606388348 1018820300 /nfs/dbraw/zinc/82/03/00/1018820300.db2.gz MSNOYBFMDUIMQH-AEJSXWLSSA-N -1 0 312.322 -0.623 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC001606394814 1018821969 /nfs/dbraw/zinc/82/19/69/1018821969.db2.gz VBVWBMLVEIFPHU-AXFHLTTASA-N -1 0 306.384 -0.079 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001606392105 1018823420 /nfs/dbraw/zinc/82/34/20/1018823420.db2.gz MAKGYXSXZCEPNH-OPRDCNLKSA-N -1 0 312.322 -0.480 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(O)(COCCO)CC2)C1 ZINC001606396068 1018823422 /nfs/dbraw/zinc/82/34/22/1018823422.db2.gz PLZAJAAKWZCMRR-NWDGAFQWSA-N -1 0 315.366 -0.150 20 0 DBADRM COC(=O)C1CCC(NC(=O)[C@H](O)C(C)(C)O)(C(=O)[O-])CC1 ZINC001606396802 1018823430 /nfs/dbraw/zinc/82/34/30/1018823430.db2.gz RPZNCTQYZHJFRA-PUUHTONNSA-N -1 0 317.338 -0.579 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001606399910 1018823839 /nfs/dbraw/zinc/82/38/39/1018823839.db2.gz BDKNZOOSIOHQFA-GIPNMCIBSA-N -1 0 317.363 -0.487 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCCn2cncn2)[C@@H](C(=O)[O-])C1 ZINC001606402304 1018824296 /nfs/dbraw/zinc/82/42/96/1018824296.db2.gz BRIQIFGTWGCWAA-GHMZBOCLSA-N -1 0 324.337 -0.077 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H](C)n2cncn2)[C@@H](C(=O)[O-])C1 ZINC001606403460 1018825087 /nfs/dbraw/zinc/82/50/87/1018825087.db2.gz IJWLVVCTLIGBIY-OPRDCNLKSA-N -1 0 310.310 -0.296 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2c[nH]c(=O)n2C)[C@H](C(=O)[O-])C1 ZINC001606406358 1018827019 /nfs/dbraw/zinc/82/70/19/1018827019.db2.gz DYHAPUDDJLSADC-YUMQZZPRSA-N -1 0 311.294 -0.396 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C2(OC)CCOCC2)C[C@H]1C(=O)[O-] ZINC001606414999 1018828373 /nfs/dbraw/zinc/82/83/73/1018828373.db2.gz AYPFMZHSZIEWAT-ZJUUUORDSA-N -1 0 315.322 -0.486 20 0 DBADRM COC(=O)[C@H]1CCN(Cc2nnc3n2CCOC3)[C@H](C(=O)[O-])C1 ZINC001606413515 1018828761 /nfs/dbraw/zinc/82/87/61/1018828761.db2.gz CRNOEBMTDARPMG-UWVGGRQHSA-N -1 0 324.337 -0.354 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CC(C)=NO2)C[C@H]1C(=O)[O-] ZINC001606416483 1018829965 /nfs/dbraw/zinc/82/99/65/1018829965.db2.gz CCEZBROYURUPFL-IVZWLZJFSA-N -1 0 313.310 -0.334 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCO1 ZINC001606417027 1018830165 /nfs/dbraw/zinc/83/01/65/1018830165.db2.gz FYZWDEZTYVOAOA-HBNTYKKESA-N -1 0 315.322 -0.343 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCN2C(=O)CCC2=O)C[C@H]1C1CC1 ZINC001606422320 1018830950 /nfs/dbraw/zinc/83/09/50/1018830950.db2.gz HOEYEFUAGYFSOA-WDEREUQCSA-N -1 0 323.349 -0.112 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1C(=O)[O-] ZINC001606420635 1018831244 /nfs/dbraw/zinc/83/12/44/1018831244.db2.gz IHNZGGCKEQWNDU-VKIHYLLESA-N -1 0 324.333 -0.323 20 0 DBADRM NC(=O)NC(=O)Cn1cc(-c2nnn[n-]2)c2ccsc2c1=O ZINC001606421300 1018831716 /nfs/dbraw/zinc/83/17/16/1018831716.db2.gz KQLBHLNIMGNHNC-UHFFFAOYSA-N -1 0 319.306 -0.562 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NC2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001606419089 1018831815 /nfs/dbraw/zinc/83/18/15/1018831815.db2.gz OVSSRMZUSBHGRX-UWVGGRQHSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cc2nnc(C)s2)C[C@H]1C(=O)[O-] ZINC001606419325 1018831912 /nfs/dbraw/zinc/83/19/12/1018831912.db2.gz PFFIGYRZFXYXQZ-SFYZADRCSA-N -1 0 313.335 -0.279 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1C(=O)[O-] ZINC001606425303 1018832472 /nfs/dbraw/zinc/83/24/72/1018832472.db2.gz HNFZNVSHHXJIQK-BDAKNGLRSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccnc(OC)n2)C[C@H]1C(=O)[O-] ZINC001606425206 1018833757 /nfs/dbraw/zinc/83/37/57/1018833757.db2.gz GCPZHSQDHMOADN-SFYZADRCSA-N -1 0 309.278 -0.569 20 0 DBADRM COC(=O)[C@H]1CN(Cn2ncn(C)c2=S)C[C@H]1C(=O)[O-] ZINC001606430299 1018834460 /nfs/dbraw/zinc/83/44/60/1018834460.db2.gz ABIFQBRKSISNTL-SFYZADRCSA-N -1 0 300.340 -0.286 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)NCC(F)(F)F)C[C@H]1C(=O)[O-] ZINC001606428625 1018834628 /nfs/dbraw/zinc/83/46/28/1018834628.db2.gz FZRVPOZRZNBYKR-RQJHMYQMSA-N -1 0 312.244 -0.530 20 0 DBADRM COC(=O)[C@@H]1CSCCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606428491 1018834804 /nfs/dbraw/zinc/83/48/04/1018834804.db2.gz ACTREFLGHBFQAQ-YIZRAAEISA-N -1 0 323.392 -0.230 20 0 DBADRM COC(=O)CC(C)(C)CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC001606435396 1018836879 /nfs/dbraw/zinc/83/68/79/1018836879.db2.gz PVMDXOLRINOXDX-UHFFFAOYSA-N -1 0 310.372 -0.183 20 0 DBADRM COC(=O)CC(=O)N1C[C@@H](C)N(C(=O)CC(=O)[O-])C[C@@H]1C ZINC001606435238 1018836723 /nfs/dbraw/zinc/83/67/23/1018836723.db2.gz NNCRKTHEQYKNSR-BDAKNGLRSA-N -1 0 300.311 -0.528 20 0 DBADRM COC(=O)C=C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606434761 1018836814 /nfs/dbraw/zinc/83/68/14/1018836814.db2.gz YYIJRJAGABUOCR-KGJQDRRLSA-N -1 0 303.296 -0.496 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)CC[C@H]1CCCO1)C2 ZINC001606433779 1018836904 /nfs/dbraw/zinc/83/69/04/1018836904.db2.gz TWACQRTUWHBDJR-LOWVWBTDSA-N -1 0 319.379 -0.082 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1nc2ncc(C)cn2n1)C(=O)[O-] ZINC001606441987 1018838090 /nfs/dbraw/zinc/83/80/90/1018838090.db2.gz IOKYNSOCCZEUTP-ZETCQYMHSA-N -1 0 307.266 -0.821 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H](C)NC(=O)C1CCCC1)C(=O)[O-] ZINC001606438266 1018838178 /nfs/dbraw/zinc/83/81/78/1018838178.db2.gz FDNLECWQHDKMKL-WCBMZHEXSA-N -1 0 314.338 -0.186 20 0 DBADRM COC(=O)C[C@H](NC(=O)CCc1nc(N(C)C)no1)C(=O)[O-] ZINC001606440042 1018838544 /nfs/dbraw/zinc/83/85/44/1018838544.db2.gz GTRNYOAAPHXTQG-ZETCQYMHSA-N -1 0 314.298 -0.799 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)C(=O)[O-] ZINC001606438265 1018838571 /nfs/dbraw/zinc/83/85/71/1018838571.db2.gz FDNLECWQHDKMKL-SCZZXKLOSA-N -1 0 314.338 -0.186 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CN1C(=O)Cc2ccccc21)C(=O)[O-] ZINC001606441129 1018838625 /nfs/dbraw/zinc/83/86/25/1018838625.db2.gz ZBZIHQQZSNZTBU-SNVBAGLBSA-N -1 0 320.301 -0.292 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc(C(=O)[O-])n1C)C(=O)OC ZINC001606442631 1018839045 /nfs/dbraw/zinc/83/90/45/1018839045.db2.gz YHRVRRSBYNSPDB-ZETCQYMHSA-N -1 0 312.278 -0.442 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cccc(C(=O)[O-])n1)C(=O)OC ZINC001606441787 1018839119 /nfs/dbraw/zinc/83/91/19/1018839119.db2.gz CKOLJNOANTVBDG-VIFPVBQESA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)CCCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001606452723 1018841756 /nfs/dbraw/zinc/84/17/56/1018841756.db2.gz DEWOLJFUNNYUKX-SCZZXKLOSA-N -1 0 311.356 -0.527 20 0 DBADRM COC(=O)C[C@@H]1COCCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606447102 1018840373 /nfs/dbraw/zinc/84/03/73/1018840373.db2.gz KHEFWOLBOYHSPZ-BBBLOLIVSA-N -1 0 321.351 -0.557 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001606442965 1018840873 /nfs/dbraw/zinc/84/08/73/1018840873.db2.gz DERJJVZTCGLIMC-SNVBAGLBSA-N -1 0 324.289 -0.637 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606452791 1018841781 /nfs/dbraw/zinc/84/17/81/1018841781.db2.gz GHAMFFGDSSENLK-UHFFFAOYSA-N -1 0 309.278 -0.212 20 0 DBADRM O=C([O-])[C@H]1CCCN(c2nnnn2C[C@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC001606452510 1018842176 /nfs/dbraw/zinc/84/21/76/1018842176.db2.gz BRAWNLAPLODCLB-QCNOEVLYSA-N -1 0 323.353 -0.222 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001606452954 1018842320 /nfs/dbraw/zinc/84/23/20/1018842320.db2.gz KLBDOLIVAAWBPM-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)C[C@@H]1CN(CN2C[C@@H](C(=O)[O-])CC2=O)CCO1 ZINC001606447664 1018842420 /nfs/dbraw/zinc/84/24/20/1018842420.db2.gz WHMGKOHMVJQGCW-VHSXEESVSA-N -1 0 300.311 -0.859 20 0 DBADRM COC(=O)CCN1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC001606454354 1018842771 /nfs/dbraw/zinc/84/27/71/1018842771.db2.gz DKDBMAYVTOFBCS-JTQLQIEISA-N -1 0 322.383 -0.782 20 0 DBADRM O=C(C1CC1)[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)CCO1 ZINC001606463478 1018843063 /nfs/dbraw/zinc/84/30/63/1018843063.db2.gz FMDBJXITGVJELN-VIFPVBQESA-N -1 0 301.310 -0.159 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CCCCS1(=O)=O ZINC001606464393 1018843331 /nfs/dbraw/zinc/84/33/31/1018843331.db2.gz ZAUZMBYCXNQUJS-QMMMGPOBSA-N -1 0 307.324 -0.960 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)C(=O)N1CCC(C)CC1 ZINC001606463691 1018843550 /nfs/dbraw/zinc/84/35/50/1018843550.db2.gz FSDUUGYXADUEFX-UHFFFAOYSA-N -1 0 300.311 -0.669 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1CC[C@@H]1CCOC1)C2 ZINC001606459183 1018843666 /nfs/dbraw/zinc/84/36/66/1018843666.db2.gz ZNCOXUFXUMRMQH-JTNHKYCSSA-N -1 0 323.353 -0.363 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CCCCS1(=O)=O ZINC001606464392 1018843804 /nfs/dbraw/zinc/84/38/04/1018843804.db2.gz ZAUZMBYCXNQUJS-MRVPVSSYSA-N -1 0 307.324 -0.960 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)CCCN1CCOCC1 ZINC001606458531 1018843816 /nfs/dbraw/zinc/84/38/16/1018843816.db2.gz BQYFSCACQRFWEE-LLVKDONJSA-N -1 0 306.384 -0.413 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC(Cc3nn[nH]n3)CC2)[nH]n1 ZINC001606460853 1018844055 /nfs/dbraw/zinc/84/40/55/1018844055.db2.gz YJHKSFLNMOJMBP-UHFFFAOYSA-N -1 0 305.298 -0.284 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)/C=C\c1ccc(C(N)=O)o1 ZINC001606464483 1018844251 /nfs/dbraw/zinc/84/42/51/1018844251.db2.gz BICSHXWKZBSZKF-HYXAFXHYSA-N -1 0 310.262 -0.522 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)/C=C/CN1CCOCC1)C(=O)[O-] ZINC001606458563 1018844362 /nfs/dbraw/zinc/84/43/62/1018844362.db2.gz OYDKNMFBDFVOOS-KXMPLOMGSA-N -1 0 314.338 -0.603 20 0 DBADRM COC(=O)CNC(=O)COC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001606471024 1018844849 /nfs/dbraw/zinc/84/48/49/1018844849.db2.gz TVDWLPXOUGZTJA-UHFFFAOYSA-N -1 0 312.278 -0.224 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cn1cc(-c2ccncn2)cn1 ZINC001606468406 1018844869 /nfs/dbraw/zinc/84/48/69/1018844869.db2.gz ASGPBSDNPYNQKL-UHFFFAOYSA-N -1 0 305.294 -0.143 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cc1nnc(S(C)(=O)=O)s1 ZINC001606468168 1018845697 /nfs/dbraw/zinc/84/56/97/1018845697.db2.gz SEOCWOITXAROSI-UHFFFAOYSA-N -1 0 323.352 -0.999 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC(C(=O)NCCO)CC2)cn1 ZINC001606471163 1018845781 /nfs/dbraw/zinc/84/57/81/1018845781.db2.gz AKZUTDSFXBRCOE-UHFFFAOYSA-N -1 0 321.333 -0.260 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)C[C@H]1CCC1(F)F ZINC001606468590 1018845898 /nfs/dbraw/zinc/84/58/98/1018845898.db2.gz NAKXXAAIPKOQPT-SSDOTTSWSA-N -1 0 315.294 -0.079 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)nc1 ZINC001606471649 1018846456 /nfs/dbraw/zinc/84/64/56/1018846456.db2.gz JYQFNZVUFBVVHV-UHFFFAOYSA-N -1 0 316.321 -0.144 20 0 DBADRM COC(=O)C[C@H](C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606478907 1018847136 /nfs/dbraw/zinc/84/71/36/1018847136.db2.gz PVLSCXXLDOOVJM-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCS(=O)(=O)CCO2)nc1 ZINC001606471815 1018847195 /nfs/dbraw/zinc/84/71/95/1018847195.db2.gz QUDTVWWYLNIBKI-UHFFFAOYSA-N -1 0 300.292 -0.418 20 0 DBADRM COC(=O)C[C@@H](OC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC001606476859 1018847340 /nfs/dbraw/zinc/84/73/40/1018847340.db2.gz NSWQDDKXIXSAFR-SSDOTTSWSA-N -1 0 314.298 -0.470 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)c1ccnc(C(=O)[O-])c1 ZINC001606471892 1018847441 /nfs/dbraw/zinc/84/74/41/1018847441.db2.gz OTLIADYLPZSLRV-ZETCQYMHSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)C[C@@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606474764 1018847485 /nfs/dbraw/zinc/84/74/85/1018847485.db2.gz PVLSCXXLDOOVJM-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)N[C@H]1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001606496163 1018847952 /nfs/dbraw/zinc/84/79/52/1018847952.db2.gz ONXIKZQBCMNGSZ-UTLUCORTSA-N -1 0 320.367 0.000 20 0 DBADRM COC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)C(C)C ZINC001606496007 1018848052 /nfs/dbraw/zinc/84/80/52/1018848052.db2.gz IXLPEMSLVGVSLK-AEJSXWLSSA-N -1 0 302.327 -0.339 20 0 DBADRM COC(=O)N1CC(NS(=O)(=O)c2cccnc2C(=O)[O-])C1 ZINC001606488574 1018848288 /nfs/dbraw/zinc/84/82/88/1018848288.db2.gz BCOKITRZAWWYJF-UHFFFAOYSA-N -1 0 315.307 -0.491 20 0 DBADRM COC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001606493668 1018848326 /nfs/dbraw/zinc/84/83/26/1018848326.db2.gz JSCMNEPXDJYNDN-DTORHVGOSA-N -1 0 323.309 -0.410 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)/C=C\c1ccc(C(N)=O)o1 ZINC001606501555 1018848515 /nfs/dbraw/zinc/84/85/15/1018848515.db2.gz YQZLMUDLRNKZJZ-AZVKUDOFSA-N -1 0 311.246 -0.049 20 0 DBADRM O=C(C[C@@H]1CC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001606495458 1018848524 /nfs/dbraw/zinc/84/85/24/1018848524.db2.gz UZFDMKWALMTALL-SECBINFHSA-N -1 0 304.285 -0.099 20 0 DBADRM COC(=O)N[C@H](C(=O)NC[C@@]1(C(=O)[O-])CCOC1)C(C)C ZINC001606496088 1018848871 /nfs/dbraw/zinc/84/88/71/1018848871.db2.gz LQMIPUYDBXEJAR-ZANVPECISA-N -1 0 302.327 -0.026 20 0 DBADRM COC(=O)N1CC(N2C(=O)[C@H]3CC[C@@H](C(=O)[O-])CN3C2=O)C1 ZINC001606488297 1018848914 /nfs/dbraw/zinc/84/89/14/1018848914.db2.gz WJWDAZOSVRQLKP-VXNVDRBHSA-N -1 0 311.294 -0.436 20 0 DBADRM COC(=O)NCCNC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1 ZINC001606494736 1018849006 /nfs/dbraw/zinc/84/90/06/1018849006.db2.gz KBXVEMAFTLWOBG-VIFPVBQESA-N -1 0 302.331 -1.000 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001606509542 1018849238 /nfs/dbraw/zinc/84/92/38/1018849238.db2.gz GOMLOJDABARXOH-RCWTZXSCSA-N -1 0 314.338 -0.195 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)Nc1cc(-c2nn[nH]n2)ccn1 ZINC001606507595 1018849389 /nfs/dbraw/zinc/84/93/89/1018849389.db2.gz HEBQXXWEACOXKL-UHFFFAOYSA-N -1 0 308.323 -0.365 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001606507041 1018849469 /nfs/dbraw/zinc/84/94/69/1018849469.db2.gz VXRDCITYCMUMBJ-VIFPVBQESA-N -1 0 321.282 -0.664 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCCn2ncnc21 ZINC001606505019 1018849925 /nfs/dbraw/zinc/84/99/25/1018849925.db2.gz JZBDRNGYWFVRDB-RKDXNWHRSA-N -1 0 310.310 -0.322 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc2n[nH]nc2n1 ZINC001606504732 1018850252 /nfs/dbraw/zinc/85/02/52/1018850252.db2.gz DBLNMBVQYMUKNM-MRVPVSSYSA-N -1 0 307.266 -0.511 20 0 DBADRM COC(=O)[C@H]1[C@@H]2CN(c3nnnn3[C@@H]3CC=C(C(=O)[O-])C3)C[C@@H]21 ZINC001606515058 1018850947 /nfs/dbraw/zinc/85/09/47/1018850947.db2.gz WLSHHLICPMFJCA-ZNSHCXBVSA-N -1 0 319.321 -0.126 20 0 DBADRM COC(=O)[C@H]1CCCN1C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606515914 1018850978 /nfs/dbraw/zinc/85/09/78/1018850978.db2.gz CVKDPTLLUUKDMD-NXEZZACHSA-N -1 0 312.322 -0.526 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001606519456 1018851006 /nfs/dbraw/zinc/85/10/06/1018851006.db2.gz IENBWAMLXABIHT-GUBZILKMSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CCO[C@H](CC(=O)[O-])C2)C[C@H]1C ZINC001606515239 1018851435 /nfs/dbraw/zinc/85/14/35/1018851435.db2.gz UBGRSRUEBSECEU-DNRKLUKYSA-N -1 0 315.322 -0.345 20 0 DBADRM COC(=O)[C@H]1[C@@H]2CN(c3nnnn3[C@H]3CC=C(C(=O)[O-])C3)C[C@@H]21 ZINC001606515054 1018851520 /nfs/dbraw/zinc/85/15/20/1018851520.db2.gz WLSHHLICPMFJCA-UKKRHICBSA-N -1 0 319.321 -0.126 20 0 DBADRM COC(=O)[C@@]1(CNC(=O)[C@@H](C)CC(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001606514579 1018851924 /nfs/dbraw/zinc/85/19/24/1018851924.db2.gz OVSHNGNHJCSUNL-YVZVNANGSA-N -1 0 321.351 -0.810 20 0 DBADRM COC(=O)c1cc(=O)n(CC(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC001606535041 1018852524 /nfs/dbraw/zinc/85/25/24/1018852524.db2.gz PTFNUAZWKHHTPN-UHFFFAOYSA-N -1 0 323.305 -0.647 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cn1 ZINC001606536380 1018852568 /nfs/dbraw/zinc/85/25/68/1018852568.db2.gz LLNNIKZNIPMFSE-OCAPTIKFSA-N -1 0 311.319 -0.709 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN1CCC(C(N)=O)CC1 ZINC001606538479 1018852634 /nfs/dbraw/zinc/85/26/34/1018852634.db2.gz WROVJJCVPLGDRW-UHFFFAOYSA-N -1 0 310.310 -0.477 20 0 DBADRM COC(=O)c1c[nH]c(C(=O)[O-])c1NC(=O)[C@@H](C)S(C)(=O)=O ZINC001606527534 1018853013 /nfs/dbraw/zinc/85/30/13/1018853013.db2.gz MBUCMHGZKJXUJO-RXMQYKEDSA-N -1 0 318.307 -0.129 20 0 DBADRM COC(=O)c1cc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)nn1C ZINC001606553095 1018853877 /nfs/dbraw/zinc/85/38/77/1018853877.db2.gz FJMQAOZHRRXXMZ-LBPRGKRZSA-N -1 0 312.282 -0.740 20 0 DBADRM COC(=O)c1cc(NC(=O)N2C[C@H](O)[C@@H](O)C2)ccc1C(=O)[O-] ZINC001606553435 1018854177 /nfs/dbraw/zinc/85/41/77/1018854177.db2.gz NEDMCVKUPOAFDM-QWRGUYRKSA-N -1 0 324.289 -0.259 20 0 DBADRM O=C(CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)NCC1CC1 ZINC001606551821 1018854574 /nfs/dbraw/zinc/85/45/74/1018854574.db2.gz KTPCXMXVGNFFLP-UHFFFAOYSA-N -1 0 316.321 -0.172 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001606563634 1018855021 /nfs/dbraw/zinc/85/50/21/1018855021.db2.gz BJBFVTJFOZZZMN-NXEZZACHSA-N -1 0 320.305 -0.099 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2cccc3c2NC(=O)CO3)CCOC1 ZINC001606563734 1018855151 /nfs/dbraw/zinc/85/51/51/1018855151.db2.gz GKVRXQFSCUEPLL-CQSZACIVSA-N -1 0 306.274 -0.009 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])n[nH]1 ZINC001606565822 1018855477 /nfs/dbraw/zinc/85/54/77/1018855477.db2.gz NHRQYWWRRCNSHZ-SSDOTTSWSA-N -1 0 317.323 -0.176 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2cccc3c2NC(=O)CO3)CCOC1 ZINC001606563732 1018855918 /nfs/dbraw/zinc/85/59/18/1018855918.db2.gz GKVRXQFSCUEPLL-AWEZNQCLSA-N -1 0 306.274 -0.009 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCNC(=O)C1)c1ccc(F)cc1 ZINC001606564057 1018856177 /nfs/dbraw/zinc/85/61/77/1018856177.db2.gz OWJPBLKCUHWRPI-ZDUSSCGKSA-N -1 0 309.297 -0.501 20 0 DBADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001606569440 1018856290 /nfs/dbraw/zinc/85/62/90/1018856290.db2.gz KKUXYWIUACZYLF-WPRPVWTQSA-N -1 0 323.309 -0.534 20 0 DBADRM O=C(CSc1ccc(-c2nn[nH]n2)cc1)N[C@@H]1COC[C@@H]1O ZINC001606586283 1018856593 /nfs/dbraw/zinc/85/65/93/1018856593.db2.gz XXIKCOZQWPHITJ-MNOVXSKESA-N -1 0 321.362 -0.165 20 0 DBADRM O=C(CNC(=O)Cc1ccc(-c2nn[nH]n2)nc1)NC1CC1 ZINC001606593979 1018856649 /nfs/dbraw/zinc/85/66/49/1018856649.db2.gz BHBUNDDOOPRTNI-UHFFFAOYSA-N -1 0 301.310 -0.801 20 0 DBADRM COC(=O)c1ccc(NC(=O)CN[C@](C)(CO)C(=O)[O-])cc1 ZINC001606593460 1018857306 /nfs/dbraw/zinc/85/73/06/1018857306.db2.gz KLVDTVHCGPWWDL-CQSZACIVSA-N -1 0 310.306 -0.163 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)N1CC(CO)(CO)C1 ZINC001606574631 1018857320 /nfs/dbraw/zinc/85/73/20/1018857320.db2.gz ZDDFOJQMHJQBEC-UHFFFAOYSA-N -1 0 319.321 -0.941 20 0 DBADRM O=C(Cc1[nH]c(O)nc1O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001606589336 1018857621 /nfs/dbraw/zinc/85/76/21/1018857621.db2.gz SECQIKUWRCXZCZ-QMMMGPOBSA-N -1 0 319.256 -0.458 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)ccc1=O)N[C@H]1CCSC1=O ZINC001606617748 1018858342 /nfs/dbraw/zinc/85/83/42/1018858342.db2.gz ZDIWKAJCQVXANG-QMMMGPOBSA-N -1 0 320.334 -0.823 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-])o1 ZINC001606604732 1018858735 /nfs/dbraw/zinc/85/87/35/1018858735.db2.gz AFGRPNCLVSGPHS-QMMMGPOBSA-N -1 0 321.307 -0.431 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)ccc1=O)N[C@@H]1CCSC1=O ZINC001606617747 1018859579 /nfs/dbraw/zinc/85/95/79/1018859579.db2.gz ZDIWKAJCQVXANG-MRVPVSSYSA-N -1 0 320.334 -0.823 20 0 DBADRM O=C(Cc1ccccc1O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001606603775 1018859729 /nfs/dbraw/zinc/85/97/29/1018859729.db2.gz IYPBONYJNVTQOD-UHFFFAOYSA-N -1 0 314.309 -0.477 20 0 DBADRM COC(=O)c1ccnc(C(=O)NCCC(=O)NCCC(=O)[O-])c1 ZINC001606621958 1018860359 /nfs/dbraw/zinc/86/03/59/1018860359.db2.gz NBZZNLYGIASGJD-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001606620210 1018860374 /nfs/dbraw/zinc/86/03/74/1018860374.db2.gz CQEWXEODNIKEGQ-VHSXEESVSA-N -1 0 318.341 -0.657 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCO[C@H]1CCCCO1 ZINC001606620386 1018860986 /nfs/dbraw/zinc/86/09/86/1018860986.db2.gz KMRDHJPIEYFKIF-JTQLQIEISA-N -1 0 322.329 -0.882 20 0 DBADRM COC(=O)c1ccn(CC(=O)N[C@](C)(CCF)C(=O)[O-])n1 ZINC001606621545 1018861073 /nfs/dbraw/zinc/86/10/73/1018861073.db2.gz DMYCTPOUQBHRBJ-GFCCVEGCSA-N -1 0 301.274 -0.011 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001606620208 1018861492 /nfs/dbraw/zinc/86/14/92/1018861492.db2.gz CQEWXEODNIKEGQ-NXEZZACHSA-N -1 0 318.341 -0.657 20 0 DBADRM COC(=O)c1cnc(N(CCN2CCOCC2)CC(=O)[O-])cn1 ZINC001606627787 1018861778 /nfs/dbraw/zinc/86/17/78/1018861778.db2.gz CCCCRFWHUPOLAP-UHFFFAOYSA-N -1 0 324.337 -0.514 20 0 DBADRM COC(=O)c1cnn(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC001606629743 1018861857 /nfs/dbraw/zinc/86/18/57/1018861857.db2.gz QASHRHXIEDEQLW-JTQLQIEISA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)c1nccnc1N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001606636086 1018862208 /nfs/dbraw/zinc/86/22/08/1018862208.db2.gz XGYHQARUMCHXBH-UHFFFAOYSA-N -1 0 304.266 -0.386 20 0 DBADRM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N(C)CCO ZINC001606636633 1018862979 /nfs/dbraw/zinc/86/29/79/1018862979.db2.gz SJOISKCPPCDOSJ-UHFFFAOYSA-N -1 0 323.348 -0.154 20 0 DBADRM COC(=O)c1csc(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001606633232 1018862828 /nfs/dbraw/zinc/86/28/28/1018862828.db2.gz DIOAZPUJCFBMBF-UHFFFAOYSA-N -1 0 321.332 -0.645 20 0 DBADRM COC(=O)c1cn(CCNC(=O)N2CC[C@@H](C(=O)[O-])C2)nn1 ZINC001606625136 1018862912 /nfs/dbraw/zinc/86/29/12/1018862912.db2.gz IFLIPQQCXSLQIT-MRVPVSSYSA-N -1 0 311.298 -0.819 20 0 DBADRM COC(=O)c1cn(CCNc2nc(C)cc(C(=O)[O-])n2)nn1 ZINC001606625814 1018862983 /nfs/dbraw/zinc/86/29/83/1018862983.db2.gz PWGATGTVRZXANI-UHFFFAOYSA-N -1 0 306.282 -0.027 20 0 DBADRM CO[C@@H](C)CC(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001606660249 1018864148 /nfs/dbraw/zinc/86/41/48/1018864148.db2.gz YXJDYHIDWISYAB-VIFPVBQESA-N -1 0 307.368 -0.050 20 0 DBADRM CO[C@H](C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)C1CC1 ZINC001606644659 1018864593 /nfs/dbraw/zinc/86/45/93/1018864593.db2.gz UIADWHCVLWWIFR-WFASDCNBSA-N -1 0 312.366 -0.201 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C)C1)OC ZINC001606669262 1018865441 /nfs/dbraw/zinc/86/54/41/1018865441.db2.gz TYMKNWHRNTVVNO-SECBINFHSA-N -1 0 302.327 -0.613 20 0 DBADRM COC(COCCNC(=O)Cn1cc(C(=O)[O-])cn1)OC ZINC001606680199 1018865606 /nfs/dbraw/zinc/86/56/06/1018865606.db2.gz ADRDNJDNCBBZIZ-UHFFFAOYSA-N -1 0 301.299 -0.667 20 0 DBADRM COC(CN(CCC(=O)[O-])S(=O)(=O)N(C)C1CC1)OC ZINC001606673894 1018865631 /nfs/dbraw/zinc/86/56/31/1018865631.db2.gz AGGMRMIIMSHWHL-UHFFFAOYSA-N -1 0 310.372 -0.279 20 0 DBADRM CO[C@H](CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-])[C@H]1CCOC1 ZINC001606673357 1018866024 /nfs/dbraw/zinc/86/60/24/1018866024.db2.gz HWXDTCCVFAUNLC-SDDRHHMPSA-N -1 0 321.395 -0.388 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@@H](OC)[C@@H]1CCOC1)OC ZINC001606669326 1018866031 /nfs/dbraw/zinc/86/60/31/1018866031.db2.gz XDOILNUWWTZMHS-MFKMUULPSA-N -1 0 319.354 -0.040 20 0 DBADRM CO[C@]1(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001606690406 1018867213 /nfs/dbraw/zinc/86/72/13/1018867213.db2.gz NPZGMHRMBZZYJT-GBIKHYSHSA-N -1 0 319.379 -0.050 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-])[C@H]1CCOC1 ZINC001606683909 1018867237 /nfs/dbraw/zinc/86/72/37/1018867237.db2.gz ZRBVMRAVPANNPZ-UKKRHICBSA-N -1 0 323.367 -0.801 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC001606690792 1018867751 /nfs/dbraw/zinc/86/77/51/1018867751.db2.gz DGGJVUNDPVXQOT-QOBXEIRBSA-N -1 0 314.338 -0.629 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCCN2CCO[C@@H](C)C2)C1 ZINC001606697309 1018868040 /nfs/dbraw/zinc/86/80/40/1018868040.db2.gz BBYGQMJJBHYFSV-FZMZJTMJSA-N -1 0 315.370 -0.408 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOCC[C@H]2C)C1 ZINC001606691910 1018868234 /nfs/dbraw/zinc/86/82/34/1018868234.db2.gz SLFAQWJJZIUCSC-YGRLFVJLSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCSCC2)C1 ZINC001606692374 1018868452 /nfs/dbraw/zinc/86/84/52/1018868452.db2.gz WWZFCKWGAQFTEI-GFCCVEGCSA-N -1 0 302.352 -0.736 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)Cc2c[nH]cn2)C1 ZINC001606691881 1018868545 /nfs/dbraw/zinc/86/85/45/1018868545.db2.gz RVFDAJOUORTBPO-CYBMUJFWSA-N -1 0 310.310 -0.930 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(C(N)=O)n2)C1 ZINC001606700820 1018870112 /nfs/dbraw/zinc/87/01/12/1018870112.db2.gz WVDKTEALIIFFKN-CYBMUJFWSA-N -1 0 308.294 -0.112 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC001606703333 1018870199 /nfs/dbraw/zinc/87/01/99/1018870199.db2.gz NOWJAYDIXQRSPV-KBPBESRZSA-N -1 0 311.338 -0.160 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCC[C@@H]2CC(=O)N(C)C2)C1 ZINC001606698299 1018870376 /nfs/dbraw/zinc/87/03/76/1018870376.db2.gz HTAZMZMBAXRRQX-YGRLFVJLSA-N -1 0 313.354 -0.260 20 0 DBADRM COC1(C(=O)O[C@@H]2CCC[C@@H](C(=O)[O-])C2)CS(=O)(=O)C1 ZINC001606707579 1018871126 /nfs/dbraw/zinc/87/11/26/1018871126.db2.gz YADDAEXGROMMRL-RKDXNWHRSA-N -1 0 306.336 -0.013 20 0 DBADRM O=C(NCC1(CO)COC1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001606705215 1018871265 /nfs/dbraw/zinc/87/12/65/1018871265.db2.gz JLHKFTZHCIJAFZ-UHFFFAOYSA-N -1 0 305.294 -0.689 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)NCCCCC(=O)[O-])CCSC1 ZINC001606717127 1018871413 /nfs/dbraw/zinc/87/14/13/1018871413.db2.gz PPHGWROZEOZXSB-ZDUSSCGKSA-N -1 0 318.395 -0.004 20 0 DBADRM CO[C@@]1(CO)CCCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001606719736 1018872498 /nfs/dbraw/zinc/87/24/98/1018872498.db2.gz FTKQVGVQWRGNDX-NSHDSACASA-N -1 0 307.368 -0.203 20 0 DBADRM CO[C@H]1CCC[C@@H]1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001606743610 1018872867 /nfs/dbraw/zinc/87/28/67/1018872867.db2.gz YTMXQWJTCOFFTE-UWVGGRQHSA-N -1 0 308.338 -0.060 20 0 DBADRM CO[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001606732545 1018872907 /nfs/dbraw/zinc/87/29/07/1018872907.db2.gz FVTYXDDXGKCGRT-GMTAPVOTSA-N -1 0 314.338 -0.628 20 0 DBADRM CO[C@@]1(CO)CCCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1 ZINC001606720713 1018872931 /nfs/dbraw/zinc/87/29/31/1018872931.db2.gz PDZIRIFKPVVSLB-BIAAXOCRSA-N -1 0 301.339 -0.136 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H](C)N2CCN(C)CC2)[C@@H](C(=O)[O-])C1 ZINC001606748008 1018873078 /nfs/dbraw/zinc/87/30/78/1018873078.db2.gz CESHOFILYWDSGX-JHJVBQTASA-N -1 0 313.398 -0.287 20 0 DBADRM CO[C@@H]1CCC[C@@H]1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001606743612 1018873110 /nfs/dbraw/zinc/87/31/10/1018873110.db2.gz YTMXQWJTCOFFTE-VHSXEESVSA-N -1 0 308.338 -0.060 20 0 DBADRM CO[C@@H]1CCC[C@H]1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001606743608 1018873347 /nfs/dbraw/zinc/87/33/47/1018873347.db2.gz YTMXQWJTCOFFTE-NXEZZACHSA-N -1 0 308.338 -0.060 20 0 DBADRM COC1(Cn2nnnc2N2CC[C@](OC)(C(=O)[O-])C2)CCC1 ZINC001606722665 1018873422 /nfs/dbraw/zinc/87/34/22/1018873422.db2.gz KFVLGSFSPCWACR-CYBMUJFWSA-N -1 0 311.342 -0.078 20 0 DBADRM CO[C@@H]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001606732543 1018873551 /nfs/dbraw/zinc/87/35/51/1018873551.db2.gz FVTYXDDXGKCGRT-AXFHLTTASA-N -1 0 314.338 -0.628 20 0 DBADRM COC1(OC)CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C[C@H]1O ZINC001606722537 1018873591 /nfs/dbraw/zinc/87/35/91/1018873591.db2.gz ICBUQVZKCCWWAT-KXUCPTDWSA-N -1 0 303.311 -0.799 20 0 DBADRM CO[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)[C@@H](C(=O)[O-])C1 ZINC001606749653 1018873918 /nfs/dbraw/zinc/87/39/18/1018873918.db2.gz FKVOBGLVQPDQBD-DTWKUNHWSA-N -1 0 313.310 -0.981 20 0 DBADRM CO[C@@H]1CN(C(=O)CCCCNC(N)=O)[C@@](C)(C(=O)[O-])C1 ZINC001606762228 1018874241 /nfs/dbraw/zinc/87/42/41/1018874241.db2.gz AOAQDWVDZJFCFF-TVQRCGJNSA-N -1 0 301.343 -0.084 20 0 DBADRM O=C(NCCCC(F)F)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001606763075 1018874451 /nfs/dbraw/zinc/87/44/51/1018874451.db2.gz AYJOXUAHQVEXNP-UHFFFAOYSA-N -1 0 315.288 -0.197 20 0 DBADRM CO[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)[C@](C)(C(=O)[O-])C1 ZINC001606763604 1018874460 /nfs/dbraw/zinc/87/44/60/1018874460.db2.gz MSJRTJGBJSACON-DAROEXNTSA-N -1 0 313.310 -0.935 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001501782774 1018874521 /nfs/dbraw/zinc/87/45/21/1018874521.db2.gz ZXMDOKHUWZRQCO-VEOIXDKJSA-N -1 0 320.349 -0.282 20 0 DBADRM COCC(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CCOCC1 ZINC001606773963 1018874990 /nfs/dbraw/zinc/87/49/90/1018874990.db2.gz ARHHPSJIEHFFAP-UHFFFAOYSA-N -1 0 324.337 -0.102 20 0 DBADRM COCC(=O)NCCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001606774627 1018875055 /nfs/dbraw/zinc/87/50/55/1018875055.db2.gz UGOXNNPSESMJFO-GFCCVEGCSA-N -1 0 308.334 -0.049 20 0 DBADRM COCC(=O)NCCC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001606774170 1018875156 /nfs/dbraw/zinc/87/51/56/1018875156.db2.gz HPDHQCBJSDLMRH-ZJUUUORDSA-N -1 0 302.327 -0.722 20 0 DBADRM COCC(=O)NC[C@@]1(C)CN(c2ncc(C(=O)[O-])cn2)CCO1 ZINC001606774798 1018875198 /nfs/dbraw/zinc/87/51/98/1018875198.db2.gz ZYDDGRQSCFLVDV-AWEZNQCLSA-N -1 0 324.337 -0.467 20 0 DBADRM COCC(=O)NCCN1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001606774684 1018875294 /nfs/dbraw/zinc/87/52/94/1018875294.db2.gz WTTYQNSYLYIDHN-UHFFFAOYSA-N -1 0 323.353 -0.941 20 0 DBADRM COCC(=O)NC[C@]1(C)CN(c2ncc(C(=O)[O-])cn2)CCO1 ZINC001606774799 1018875632 /nfs/dbraw/zinc/87/56/32/1018875632.db2.gz ZYDDGRQSCFLVDV-CQSZACIVSA-N -1 0 324.337 -0.467 20 0 DBADRM COCC(=O)N1CC[C@H]2CN(c3ncc(C(=O)[O-])cn3)C[C@H]21 ZINC001606774366 1018875667 /nfs/dbraw/zinc/87/56/67/1018875667.db2.gz MTWFALIEIDQEOQ-GXSJLCMTSA-N -1 0 306.322 -0.142 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)[C@H]1CC1(F)F ZINC001606781080 1018876753 /nfs/dbraw/zinc/87/67/53/1018876753.db2.gz ZMAFFJAPARIOPP-ZCFIWIBFSA-N -1 0 310.268 -0.738 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)N1CCN(C)CC1 ZINC001606779787 1018876981 /nfs/dbraw/zinc/87/69/81/1018876981.db2.gz KCBLCHVLPJNLCF-FZMZJTMJSA-N -1 0 301.387 -0.382 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)COCc1nncn1C ZINC001606779116 1018877052 /nfs/dbraw/zinc/87/70/52/1018877052.db2.gz BOOANRQCLZZLTA-GFCCVEGCSA-N -1 0 300.315 -0.672 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)[C@@H]1CC1(F)F ZINC001606781079 1018877232 /nfs/dbraw/zinc/87/72/32/1018877232.db2.gz ZMAFFJAPARIOPP-LURJTMIESA-N -1 0 310.268 -0.738 20 0 DBADRM CC(C)[C@@H](F)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001501815988 1018877641 /nfs/dbraw/zinc/87/76/41/1018877641.db2.gz FNXHNGZYRMPFFT-MWLCHTKSSA-N -1 0 315.349 -0.179 20 0 DBADRM COC[C@@](C)(NC(=O)CNC(=O)c1ncccc1O)C(=O)[O-] ZINC001606788012 1018877790 /nfs/dbraw/zinc/87/77/90/1018877790.db2.gz OQODBOIUMYFQFG-CYBMUJFWSA-N -1 0 311.294 -0.877 20 0 DBADRM COC[C@@](C)(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001606789943 1018878326 /nfs/dbraw/zinc/87/83/26/1018878326.db2.gz HHOJEWBEIPAFJF-AMIZOPFISA-N -1 0 320.342 -0.522 20 0 DBADRM COC[C@H](C)[C@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001606793106 1018878409 /nfs/dbraw/zinc/87/84/09/1018878409.db2.gz IJSAOUSRLNCFRG-GUBZILKMSA-N -1 0 307.368 -0.385 20 0 DBADRM COC[C@@H](C)CNC(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001606797172 1018878455 /nfs/dbraw/zinc/87/84/55/1018878455.db2.gz GSCOIQBPUBWQBL-TVQRCGJNSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@@](C)(NC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)[O-] ZINC001606791115 1018878617 /nfs/dbraw/zinc/87/86/17/1018878617.db2.gz KSBMUDAJAAGVHO-SNVBAGLBSA-N -1 0 306.296 -0.854 20 0 DBADRM CC(F)(F)CC(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001501821021 1018879525 /nfs/dbraw/zinc/87/95/25/1018879525.db2.gz APTZYAQEPUFHBT-QMMMGPOBSA-N -1 0 319.312 -0.127 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccnc(Cl)c1 ZINC001606802651 1018879794 /nfs/dbraw/zinc/87/97/94/1018879794.db2.gz OROJDVHZJHVAJD-UHFFFAOYSA-N -1 0 319.716 -0.063 20 0 DBADRM COC[C@@H](CN1CCO[C@@H](C)C1)OC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001606800574 1018879864 /nfs/dbraw/zinc/87/98/64/1018879864.db2.gz NJBSOSUCNXXJMX-WHOHXGKFSA-N -1 0 301.339 -0.014 20 0 DBADRM COC[C@@H](CS(=O)(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)OC ZINC001606805000 1018880030 /nfs/dbraw/zinc/88/00/30/1018880030.db2.gz RXBXOGHBUABSET-MIZYBKAJSA-N -1 0 307.368 -0.180 20 0 DBADRM O=C(NCCc1n[n-]c(=S)o1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001606802427 1018880214 /nfs/dbraw/zinc/88/02/14/1018880214.db2.gz REYHQEORMSZDEW-UHFFFAOYSA-N -1 0 306.311 -0.161 20 0 DBADRM COC[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)OC)C(=O)[O-] ZINC001606813520 1018881131 /nfs/dbraw/zinc/88/11/31/1018881131.db2.gz POAVCFXCBFZSTR-IUCAKERBSA-N -1 0 320.342 -0.258 20 0 DBADRM COC[C@H](NC(=O)c1cc(N2CCOCC2)ncn1)C(=O)[O-] ZINC001606813486 1018881210 /nfs/dbraw/zinc/88/12/10/1018881210.db2.gz OVZPNKQZVOOERP-JTQLQIEISA-N -1 0 310.310 -0.857 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)[C@@H]1CCCO1 ZINC001606816274 1018881259 /nfs/dbraw/zinc/88/12/59/1018881259.db2.gz UGKMSFOCICMYKZ-IUCAKERBSA-N -1 0 319.339 -0.420 20 0 DBADRM COC[C@@H](NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C(C)C ZINC001606805439 1018881270 /nfs/dbraw/zinc/88/12/70/1018881270.db2.gz NWDUKLPKGAVNLN-SECBINFHSA-N -1 0 312.326 -0.156 20 0 DBADRM COC[C@@H](NC(=O)c1cnc2c(c1)NC(=O)CN2C)C(=O)[O-] ZINC001606812491 1018881573 /nfs/dbraw/zinc/88/15/73/1018881573.db2.gz GXDIEQMMZRHKBO-SECBINFHSA-N -1 0 308.294 -0.701 20 0 DBADRM COC[C@H](Cn1cncn1)OC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001606805561 1018881597 /nfs/dbraw/zinc/88/15/97/1018881597.db2.gz QLKKPYSBBGXMRP-JTQLQIEISA-N -1 0 309.282 -0.569 20 0 DBADRM COC[C@@H](NC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C)C(=O)[O-] ZINC001606813303 1018881680 /nfs/dbraw/zinc/88/16/80/1018881680.db2.gz SFMPVDRSCUYNBT-SECBINFHSA-N -1 0 321.293 -0.494 20 0 DBADRM COC[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)C1CCOCC1 ZINC001606808696 1018881867 /nfs/dbraw/zinc/88/18/67/1018881867.db2.gz ACDRBHSKOBWUOV-RYUDHWBXSA-N -1 0 316.354 -0.077 20 0 DBADRM COC[C@H](NC(=O)c1c(C)oc(C)c1S(N)(=O)=O)C(=O)[O-] ZINC001606813968 1018881946 /nfs/dbraw/zinc/88/19/46/1018881946.db2.gz XCGALUZBSKUOJK-ZETCQYMHSA-N -1 0 320.323 -0.627 20 0 DBADRM O=C(Cc1ccco1)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001501833727 1018882580 /nfs/dbraw/zinc/88/25/80/1018882580.db2.gz ATAPVMBKQWRZMS-JTQLQIEISA-N -1 0 321.337 -0.337 20 0 DBADRM COC[C@@H](O)CCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001606819092 1018882728 /nfs/dbraw/zinc/88/27/28/1018882728.db2.gz QSNDDSSZLGIACX-LBPRGKRZSA-N -1 0 324.333 -0.234 20 0 DBADRM COCC[C@@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)C(=O)[O-] ZINC001606859120 1018889422 /nfs/dbraw/zinc/88/94/22/1018889422.db2.gz VBRGVPJGUUGWAM-KOLCDFICSA-N -1 0 304.343 -0.621 20 0 DBADRM COCC1(C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)CC1 ZINC001606821711 1018883645 /nfs/dbraw/zinc/88/36/45/1018883645.db2.gz JOQWKMXHNSQSSY-VHSXEESVSA-N -1 0 310.350 -0.101 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CC1CS(=O)(=O)C1 ZINC001606828940 1018884087 /nfs/dbraw/zinc/88/40/87/1018884087.db2.gz AVTCQQLGEMFUQH-GFCCVEGCSA-N -1 0 305.352 -0.487 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCCN1CC(=O)N1CCN(C)CC1 ZINC001606827393 1018884247 /nfs/dbraw/zinc/88/42/47/1018884247.db2.gz GIASFUBEEPTUSS-HNNXBMFYSA-N -1 0 313.398 -0.284 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001606830938 1018884318 /nfs/dbraw/zinc/88/43/18/1018884318.db2.gz UBOVVSCULULMIF-MFKMUULPSA-N -1 0 319.379 -0.097 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CCN=C2C1=NNN2C ZINC001606829926 1018885114 /nfs/dbraw/zinc/88/51/14/1018885114.db2.gz DPYKAFAYNGVDNS-LKFCYVNXSA-N -1 0 323.353 -0.697 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1Cc1ccc(S(N)(=O)=O)o1 ZINC001606833646 1018885162 /nfs/dbraw/zinc/88/51/62/1018885162.db2.gz NBYKTBXMDMQTQC-LBPRGKRZSA-N -1 0 318.351 -0.007 20 0 DBADRM COCC1(O)CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1 ZINC001606842894 1018886442 /nfs/dbraw/zinc/88/64/42/1018886442.db2.gz WWRJOGVUZLQXFR-UHFFFAOYSA-N -1 0 319.339 -0.730 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CCC1 ZINC001606842668 1018886715 /nfs/dbraw/zinc/88/67/15/1018886715.db2.gz NFJYCJPMEYLDOL-VIFPVBQESA-N -1 0 323.367 -0.309 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)Nc1cccc(-c2nn[nH]n2)c1 ZINC001606847103 1018886770 /nfs/dbraw/zinc/88/67/70/1018886770.db2.gz JFCOSNUCEVCSAO-UHFFFAOYSA-N -1 0 302.254 -0.135 20 0 DBADRM COCC1(O)CN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001606842909 1018886862 /nfs/dbraw/zinc/88/68/62/1018886862.db2.gz XSHMMAYMOLSARP-NXEZZACHSA-N -1 0 307.368 -0.347 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001606852393 1018887258 /nfs/dbraw/zinc/88/72/58/1018887258.db2.gz JTQLSCYGGUJZDS-BDAKNGLRSA-N -1 0 311.356 -0.453 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001606852647 1018887498 /nfs/dbraw/zinc/88/74/98/1018887498.db2.gz PTIAGGGNWGOCEP-VHSXEESVSA-N -1 0 322.383 -0.594 20 0 DBADRM COC[C@@H]1CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C[C@H](C)O1 ZINC001606848432 1018887504 /nfs/dbraw/zinc/88/75/04/1018887504.db2.gz PEYJNGHDHVLCBS-GVXVVHGQSA-N -1 0 302.371 -0.053 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CCO1 ZINC001606847989 1018887750 /nfs/dbraw/zinc/88/77/50/1018887750.db2.gz LSZIQGKZFCJIPZ-OUAUKWLOSA-N -1 0 314.338 -0.961 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001606852396 1018888023 /nfs/dbraw/zinc/88/80/23/1018888023.db2.gz JTQLSCYGGUJZDS-IUCAKERBSA-N -1 0 311.356 -0.453 20 0 DBADRM COCC[C@@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)C(=O)[O-] ZINC001606855298 1018888139 /nfs/dbraw/zinc/88/81/39/1018888139.db2.gz TWVWTSRMMODWIE-SECBINFHSA-N -1 0 323.367 -0.814 20 0 DBADRM COCC[C@]1(NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCOC1 ZINC001606866415 1018888736 /nfs/dbraw/zinc/88/87/36/1018888736.db2.gz CPEBDCWHNNSPEG-NSHDSACASA-N -1 0 319.339 -0.418 20 0 DBADRM COCCC1(C)CN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001606862459 1018888893 /nfs/dbraw/zinc/88/88/93/1018888893.db2.gz XBJMPTBJQZYXBV-UHFFFAOYSA-N -1 0 324.337 -0.058 20 0 DBADRM COCCCn1cc(C(=O)NC2(C(=O)[O-])CC(CO)C2)cn1 ZINC001606877871 1018890313 /nfs/dbraw/zinc/89/03/13/1018890313.db2.gz DCHDSGGLIZNZQC-UHFFFAOYSA-N -1 0 311.338 -0.125 20 0 DBADRM COCCN1CC[C@H](NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001606894678 1018891857 /nfs/dbraw/zinc/89/18/57/1018891857.db2.gz CMKIKAZKIGUVQF-WOPDTQHZSA-N -1 0 320.411 -0.120 20 0 DBADRM COCCN(C)S(=O)(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001606880842 1018891992 /nfs/dbraw/zinc/89/19/92/1018891992.db2.gz LKBQQYCBEBWJIO-UHFFFAOYSA-N -1 0 319.383 -0.056 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC001606890258 1018892119 /nfs/dbraw/zinc/89/21/19/1018892119.db2.gz XJLMNUFSXHGOOE-QWRGUYRKSA-N -1 0 324.399 -0.331 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001606881774 1018892492 /nfs/dbraw/zinc/89/24/92/1018892492.db2.gz UKDPMXOTTJXAJB-UHFFFAOYSA-N -1 0 301.255 -0.930 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)c1cncc(C(=O)[O-])c1 ZINC001606881147 1018892574 /nfs/dbraw/zinc/89/25/74/1018892574.db2.gz CIZXTAATTCXACP-UHFFFAOYSA-N -1 0 309.322 -0.043 20 0 DBADRM COCCN(C)S(=O)(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001606880823 1018893080 /nfs/dbraw/zinc/89/30/80/1018893080.db2.gz KRUXKCLRYWSGID-BQBZGAKWSA-N -1 0 302.299 -0.635 20 0 DBADRM COCCO[C@H]1CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1 ZINC001606901655 1018894173 /nfs/dbraw/zinc/89/41/73/1018894173.db2.gz PEQNBEXHOAENNS-AAEUAGOBSA-N -1 0 302.371 -0.051 20 0 DBADRM COCCOCCNC(=O)C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC001606904276 1018894479 /nfs/dbraw/zinc/89/44/79/1018894479.db2.gz HUXIJSAHVHKNCA-QMTHXVAHSA-N -1 0 316.354 -0.665 20 0 DBADRM COCCOCCS(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001606907059 1018894913 /nfs/dbraw/zinc/89/49/13/1018894913.db2.gz YREYBXFTGBXCFT-JTQLQIEISA-N -1 0 311.356 -0.845 20 0 DBADRM COCCc1noc(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)n1 ZINC001606923007 1018895160 /nfs/dbraw/zinc/89/51/60/1018895160.db2.gz HGJBGGORBLLSSZ-DTWKUNHWSA-N -1 0 313.310 -0.151 20 0 DBADRM COCCc1nc(CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)no1 ZINC001606925363 1018895254 /nfs/dbraw/zinc/89/52/54/1018895254.db2.gz UQWAPPPLBINZPM-SECBINFHSA-N -1 0 322.325 -0.005 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001606920439 1018895475 /nfs/dbraw/zinc/89/54/75/1018895475.db2.gz VOOIWWRRMLCDIH-LBPRGKRZSA-N -1 0 323.367 -0.812 20 0 DBADRM COCCS(=O)(=O)CC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001606919494 1018896058 /nfs/dbraw/zinc/89/60/58/1018896058.db2.gz GIFJEHBYKUHFGB-UHFFFAOYSA-N -1 0 319.335 -0.036 20 0 DBADRM COCCOCCN(C)C(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606904701 1018896139 /nfs/dbraw/zinc/89/61/39/1018896139.db2.gz SWKFPAAPMBRQCW-PHIMTYICSA-N -1 0 316.354 -0.571 20 0 DBADRM COCCn1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c(C)n1 ZINC001606929543 1018896635 /nfs/dbraw/zinc/89/66/35/1018896635.db2.gz SBPHXUHCXBLZRW-LLVKDONJSA-N -1 0 324.337 -0.747 20 0 DBADRM COCCn1cc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])nn1 ZINC001606929551 1018897140 /nfs/dbraw/zinc/89/71/40/1018897140.db2.gz SIHHUUPYWVXBQS-NXEZZACHSA-N -1 0 312.326 -0.323 20 0 DBADRM COCc1ccccc1S(=O)(=O)NC[C@@H](O)CC(=O)[O-] ZINC001606968881 1018898407 /nfs/dbraw/zinc/89/84/07/1018898407.db2.gz RXOPFMSGUDTEOY-JTQLQIEISA-N -1 0 303.336 -0.053 20 0 DBADRM COCc1cc(C(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)no1 ZINC001606940004 1018899037 /nfs/dbraw/zinc/89/90/37/1018899037.db2.gz VUIXKXXZURJKAO-BDAKNGLRSA-N -1 0 312.278 -0.233 20 0 DBADRM O=C([O-])CCNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC001606957819 1018899079 /nfs/dbraw/zinc/89/90/79/1018899079.db2.gz KTJOFGAVENZHIK-UHFFFAOYSA-N -1 0 311.323 -0.239 20 0 DBADRM CON(C)C(=O)C1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC001606990210 1018900744 /nfs/dbraw/zinc/90/07/44/1018900744.db2.gz PLQSLYIIYUWRFP-SECBINFHSA-N -1 0 322.383 -0.231 20 0 DBADRM COCc1n[nH]c(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001606982109 1018900898 /nfs/dbraw/zinc/90/08/98/1018900898.db2.gz UUFOSVQNVWRMAQ-KNVOCYPGSA-N -1 0 304.328 -0.766 20 0 DBADRM CON(C)CCCNC(=O)COCc1ocnc1C(=O)[O-] ZINC001606989623 1018901760 /nfs/dbraw/zinc/90/17/60/1018901760.db2.gz NZQHNPVQQLVXKB-UHFFFAOYSA-N -1 0 301.299 -0.111 20 0 DBADRM CON(C(=O)C1=NN(CCO)C(=O)CC1)[C@H](C)CC(=O)[O-] ZINC001606984522 1018902003 /nfs/dbraw/zinc/90/20/03/1018902003.db2.gz LFULXYSKNXZPCH-MRVPVSSYSA-N -1 0 301.299 -0.790 20 0 DBADRM CON(C)C(=O)C1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC001606990211 1018902551 /nfs/dbraw/zinc/90/25/51/1018902551.db2.gz PLQSLYIIYUWRFP-VIFPVBQESA-N -1 0 322.383 -0.231 20 0 DBADRM COCc1nccc(NC(=O)C(=O)N[C@H](CC(=O)[O-])C2CC2)n1 ZINC001606980892 1018902565 /nfs/dbraw/zinc/90/25/65/1018902565.db2.gz VBOIFVGTMAUWHK-SECBINFHSA-N -1 0 322.321 -0.069 20 0 DBADRM CON1CCC(NC(=O)NCCn2cc(C(=O)[O-])nn2)CC1 ZINC001606995011 1018904598 /nfs/dbraw/zinc/90/45/98/1018904598.db2.gz ZPLYYCWFVYMPGW-UHFFFAOYSA-N -1 0 312.330 -0.699 20 0 DBADRM CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCC[C@H](O)C(=O)[O-] ZINC001606997743 1018905027 /nfs/dbraw/zinc/90/50/27/1018905027.db2.gz MKIQJWSPPPCJJI-IUCAKERBSA-N -1 0 320.342 -0.522 20 0 DBADRM CON1CCC(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1 ZINC001606995003 1018905990 /nfs/dbraw/zinc/90/59/90/1018905990.db2.gz ZHDUQKLLROUYHI-LLVKDONJSA-N -1 0 313.354 -0.548 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001606999182 1018906051 /nfs/dbraw/zinc/90/60/51/1018906051.db2.gz KMHSLUIUWONGJS-HTQZYQBOSA-N -1 0 319.339 -0.501 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001607013031 1018909779 /nfs/dbraw/zinc/90/97/79/1018909779.db2.gz BXIJCMIQYLVOJQ-URLYPYJESA-N -1 0 301.306 -0.117 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C[C@@H]1OC ZINC001607005648 1018910198 /nfs/dbraw/zinc/91/01/98/1018910198.db2.gz YLXMDMFEZRXMJO-HWACXVBKSA-N -1 0 314.338 -0.772 20 0 DBADRM COc1c2cnn(C)c2ncc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001607007323 1018911204 /nfs/dbraw/zinc/91/12/04/1018911204.db2.gz XELQYGKJUZFSIU-SNVBAGLBSA-N -1 0 320.305 -0.098 20 0 DBADRM COc1c(F)nccc1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001607010076 1018911530 /nfs/dbraw/zinc/91/15/30/1018911530.db2.gz NXBAMAGSFPNTCB-UHFFFAOYSA-N -1 0 313.285 -0.060 20 0 DBADRM COc1c(NCC(=O)N2CCN(C)CC2)ncnc1C(=O)[O-] ZINC001607035192 1018914499 /nfs/dbraw/zinc/91/44/99/1018914499.db2.gz OGJGYCRUCCSAKU-UHFFFAOYSA-N -1 0 309.326 -0.631 20 0 DBADRM COc1c(NCCS(=O)(=O)NC2CC2)ncnc1C(=O)[O-] ZINC001607042471 1018916645 /nfs/dbraw/zinc/91/66/45/1018916645.db2.gz MWZOKIMPMZPTQY-UHFFFAOYSA-N -1 0 316.339 -0.323 20 0 DBADRM O=S(=O)(NC1CCOCC1)c1cccnc1-c1nnn[n-]1 ZINC001607063984 1018936470 /nfs/dbraw/zinc/93/64/70/1018936470.db2.gz WVIYFNSEJTVOJA-UHFFFAOYSA-N -1 0 310.339 -0.281 20 0 DBADRM COc1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])ncn1 ZINC001607067822 1018945154 /nfs/dbraw/zinc/94/51/54/1018945154.db2.gz HCLYAMKBEXHBMC-UHFFFAOYSA-N -1 0 324.337 -0.656 20 0 DBADRM COc1cc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)on1 ZINC001607068431 1018945941 /nfs/dbraw/zinc/94/59/41/1018945941.db2.gz VHPGNWCEWYFEEB-DTWKUNHWSA-N -1 0 323.305 -0.313 20 0 DBADRM O=c1c(-c2nnn[n-]2)c2c(cn1C[C@@H]1COCCO1)CCC2 ZINC001607089389 1018955962 /nfs/dbraw/zinc/95/59/62/1018955962.db2.gz RQWORGVWQJCSMD-SNVBAGLBSA-N -1 0 303.322 -0.068 20 0 DBADRM c1cc(N2CCN([C@H]3CCOC3)CC2)nc(-c2nnn[n-]2)n1 ZINC001607119321 1018972829 /nfs/dbraw/zinc/97/28/29/1018972829.db2.gz AOCWOFDTWYKLBR-JTQLQIEISA-N -1 0 302.342 -0.432 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)NCCS(N)(=O)=O ZINC001607135355 1018975782 /nfs/dbraw/zinc/97/57/82/1018975782.db2.gz YPULSSJMYDYCJY-UHFFFAOYSA-N -1 0 317.323 -0.197 20 0 DBADRM COc1ccc(C=O)cc1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001607242209 1018979952 /nfs/dbraw/zinc/97/99/52/1018979952.db2.gz BISUFKNRKFMKBD-LLVKDONJSA-N -1 0 320.301 -0.125 20 0 DBADRM COc1cc(CNC(=O)CN2CCNC(=O)C2)ccc1C(=O)[O-] ZINC001607161014 1018980301 /nfs/dbraw/zinc/98/03/01/1018980301.db2.gz PTZRBOUUEVPRMG-UHFFFAOYSA-N -1 0 321.333 -0.559 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N[C@H]2C[C@H](O)C2)c1 ZINC001607208299 1018981171 /nfs/dbraw/zinc/98/11/71/1018981171.db2.gz MVAUIYIQSBONIF-ZKCHVHJHSA-N -1 0 308.290 -0.029 20 0 DBADRM COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])nn1 ZINC001607203515 1018981303 /nfs/dbraw/zinc/98/13/03/1018981303.db2.gz QQJBNPJDJFPNHN-SECBINFHSA-N -1 0 308.294 -0.709 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)C(=O)NCCC(N)=O)c1 ZINC001607208806 1018981949 /nfs/dbraw/zinc/98/19/49/1018981949.db2.gz YMVKHKSBNJSVIV-UHFFFAOYSA-N -1 0 309.278 -0.677 20 0 DBADRM COc1cccc(C(=O)NCC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC001607305450 1018982907 /nfs/dbraw/zinc/98/29/07/1018982907.db2.gz ZNJAOBIIFDBEBS-PWSUYJOCSA-N -1 0 322.317 -0.529 20 0 DBADRM COc1ccc(F)c(C(=O)NCC(=O)NCC(=O)[O-])c1OC ZINC001607266919 1018983484 /nfs/dbraw/zinc/98/34/84/1018983484.db2.gz MNQFGTMEIGTVJO-UHFFFAOYSA-N -1 0 314.269 -0.227 20 0 DBADRM COc1cccc(C[C@H](O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1 ZINC001607321072 1018984010 /nfs/dbraw/zinc/98/40/10/1018984010.db2.gz BPEWKODWLISRLX-BZPMIXESSA-N -1 0 323.345 -0.107 20 0 DBADRM COc1cccc([C@H](OC(=O)Cn2ncn(C)c2=O)C(=O)[O-])c1 ZINC001607314814 1018984072 /nfs/dbraw/zinc/98/40/72/1018984072.db2.gz GBLHHGZRPISINB-LBPRGKRZSA-N -1 0 321.289 -0.041 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N(C)C[C@H](C)O)cc1C(=O)[O-] ZINC001607251947 1018984136 /nfs/dbraw/zinc/98/41/36/1018984136.db2.gz GGVPABCQPQCSIE-VIFPVBQESA-N -1 0 324.333 -0.151 20 0 DBADRM COc1ccc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])o1 ZINC001607251989 1018985055 /nfs/dbraw/zinc/98/50/55/1018985055.db2.gz HRFIXCDXWPMIKA-WPRPVWTQSA-N -1 0 323.305 -0.133 20 0 DBADRM COc1cccc(C[C@H](O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001607321074 1018985345 /nfs/dbraw/zinc/98/53/45/1018985345.db2.gz BPEWKODWLISRLX-OBJOEFQTSA-N -1 0 323.345 -0.107 20 0 DBADRM COc1cnc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nc1 ZINC001607352800 1018986642 /nfs/dbraw/zinc/98/66/42/1018986642.db2.gz TUWDHPNOZFSSDC-NXEZZACHSA-N -1 0 320.305 -0.854 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)nc1 ZINC001607352822 1018987275 /nfs/dbraw/zinc/98/72/75/1018987275.db2.gz CXCGYOAJMYUQSV-CBAPKCEASA-N -1 0 324.293 -0.876 20 0 DBADRM COc1cccnc1CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001607349224 1018987290 /nfs/dbraw/zinc/98/72/90/1018987290.db2.gz YAMKWITVCVJQKQ-NSHDSACASA-N -1 0 321.333 -0.176 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001607337019 1018987392 /nfs/dbraw/zinc/98/73/92/1018987392.db2.gz VYGOTBCDABIWSI-DXPFQBAHSA-N -1 0 322.317 -0.481 20 0 DBADRM COc1cnc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nc1 ZINC001607352803 1018987459 /nfs/dbraw/zinc/98/74/59/1018987459.db2.gz TUWDHPNOZFSSDC-VHSXEESVSA-N -1 0 320.305 -0.854 20 0 DBADRM COc1cnc(NC(=O)C(=O)NCCSCC(=O)[O-])nc1 ZINC001607353123 1018987861 /nfs/dbraw/zinc/98/78/61/1018987861.db2.gz IMUVKOZVTNDNSY-UHFFFAOYSA-N -1 0 314.323 -0.642 20 0 DBADRM COc1ccccc1NCC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001607347182 1018988181 /nfs/dbraw/zinc/98/81/81/1018988181.db2.gz YTJLCLJRULIFMO-LLVKDONJSA-N -1 0 321.333 -0.139 20 0 DBADRM COc1ncc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001607359778 1018989270 /nfs/dbraw/zinc/98/92/70/1018989270.db2.gz NMHRECWIXLTYOD-VHSXEESVSA-N -1 0 320.305 -0.854 20 0 DBADRM COc1nccc(CN2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001607361495 1018989310 /nfs/dbraw/zinc/98/93/10/1018989310.db2.gz XPZNZCJAXZLZMJ-RYUDHWBXSA-N -1 0 320.349 -0.246 20 0 DBADRM COc1ncc(/C=C\C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1 ZINC001607359450 1018989484 /nfs/dbraw/zinc/98/94/84/1018989484.db2.gz FOXFLFKFRBBMRV-LVUHIJSRSA-N -1 0 307.306 -0.208 20 0 DBADRM COc1nsc(OC)c1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001607363222 1018990406 /nfs/dbraw/zinc/99/04/06/1018990406.db2.gz LHYBCJRRBJCKBL-LLVKDONJSA-N -1 0 302.308 -0.178 20 0 DBADRM COc1nnccc1NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001607363950 1018990594 /nfs/dbraw/zinc/99/05/94/1018990594.db2.gz WLYGOLNNXOGZLZ-QMMMGPOBSA-N -1 0 308.294 -0.253 20 0 DBADRM COc1nn(C)cc1CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001607362609 1018990994 /nfs/dbraw/zinc/99/09/94/1018990994.db2.gz ZAFYBFYENDJYIW-UHFFFAOYSA-N -1 0 315.311 -0.672 20 0 DBADRM CS(=O)(=O)C1(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCOCC1 ZINC001607365885 1018991356 /nfs/dbraw/zinc/99/13/56/1018991356.db2.gz XZGVWTFDEAGMJV-KYZUINATSA-N -1 0 305.352 -0.440 20 0 DBADRM COc1ncc(/C=C/C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001607359455 1018991604 /nfs/dbraw/zinc/99/16/04/1018991604.db2.gz FOXFLFKFRBBMRV-ZROCKMJXSA-N -1 0 307.306 -0.208 20 0 DBADRM CS(=O)(=O)[C@@H]1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001607366105 1018991795 /nfs/dbraw/zinc/99/17/95/1018991795.db2.gz CCHAMQJFRCRYMF-MRVPVSSYSA-N -1 0 301.324 -0.773 20 0 DBADRM CS(=O)(=O)CCC(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001607370134 1018992730 /nfs/dbraw/zinc/99/27/30/1018992730.db2.gz ULSQMLWZJXIVAK-LLVKDONJSA-N -1 0 314.363 -0.124 20 0 DBADRM CS(=O)(=O)CC1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001607369527 1018993068 /nfs/dbraw/zinc/99/30/68/1018993068.db2.gz GVYWDRZWOMTKNZ-NSHDSACASA-N -1 0 318.395 -0.366 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])CC1 ZINC001607366752 1018993228 /nfs/dbraw/zinc/99/32/28/1018993228.db2.gz MTUOZKMPROLZFZ-GXSJLCMTSA-N -1 0 319.379 -0.362 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(Cc2cn(CC(=O)[O-])nn2)C1 ZINC001607366469 1018993278 /nfs/dbraw/zinc/99/32/78/1018993278.db2.gz GGNAZSVCZZFUMG-SNVBAGLBSA-N -1 0 302.356 -0.628 20 0 DBADRM CS(=O)(=O)CC1(NC(=O)c2cc(C(=O)[O-])ccn2)COC1 ZINC001607369081 1018993863 /nfs/dbraw/zinc/99/38/63/1018993863.db2.gz MPBJFLOOFIQTMA-UHFFFAOYSA-N -1 0 314.319 -0.677 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001607366491 1018993911 /nfs/dbraw/zinc/99/39/11/1018993911.db2.gz KZKIPYWCUGDPAU-MRVPVSSYSA-N -1 0 317.323 -0.693 20 0 DBADRM CS(=O)(=O)NCCC(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001607373675 1018995746 /nfs/dbraw/zinc/99/57/46/1018995746.db2.gz GBGWFQVVYKFHCS-UHFFFAOYSA-N -1 0 316.339 -0.595 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC001607371135 1018996364 /nfs/dbraw/zinc/99/63/64/1018996364.db2.gz ADPMVGXGISMTIJ-MNOVXSKESA-N -1 0 318.395 -0.115 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)NOCCCC(=O)[O-])CC1 ZINC001607371502 1018996496 /nfs/dbraw/zinc/99/64/96/1018996496.db2.gz XVGCEYTZWOYHSA-UHFFFAOYSA-N -1 0 308.356 -0.429 20 0 DBADRM CS(=O)(=O)N1CCCN(Cc2cnc(C(=O)[O-])cn2)CC1 ZINC001607372047 1018996808 /nfs/dbraw/zinc/99/68/08/1018996808.db2.gz NBGKNHBOCUYRMR-UHFFFAOYSA-N -1 0 314.367 -0.358 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001607373276 1018996994 /nfs/dbraw/zinc/99/69/94/1018996994.db2.gz RDOVQSOJULQLFB-UHEGKEBESA-N -1 0 316.379 -0.219 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1cc(C(=O)[O-])no1 ZINC001607371853 1018997631 /nfs/dbraw/zinc/99/76/31/1018997631.db2.gz IAMFCLXRTZIBEC-SECBINFHSA-N -1 0 318.307 -0.160 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)NCC[C@H](O)C(=O)[O-])ccc1F ZINC001607379382 1018998303 /nfs/dbraw/zinc/99/83/03/1018998303.db2.gz ZGHSZFLUPSXXAI-VIFPVBQESA-N -1 0 319.310 -0.205 20 0 DBADRM CS(=O)(=O)c1ccccc1C(=O)NCC[C@H](O)C(=O)[O-] ZINC001607383639 1018998464 /nfs/dbraw/zinc/99/84/64/1018998464.db2.gz KVGYZAZSKTTXTG-VIFPVBQESA-N -1 0 301.320 -0.345 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001607375529 1018998498 /nfs/dbraw/zinc/99/84/98/1018998498.db2.gz XCNTZPPKBFNFFP-CCNFQMFXSA-N -1 0 311.381 -0.654 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N[C@@H](CO)C(=O)[O-])ccc1F ZINC001607379249 1018999041 /nfs/dbraw/zinc/99/90/41/1018999041.db2.gz WILVRYIOODQNPT-QMMMGPOBSA-N -1 0 305.283 -0.596 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)Cc1cscn1)C(=O)[O-] ZINC001607378209 1018999609 /nfs/dbraw/zinc/99/96/09/1018999609.db2.gz ZHJNZWLQSZZWOR-GZMMTYOYSA-N -1 0 318.376 -0.310 20 0 DBADRM CS(=O)(=O)c1ccc(/C=C/C(=O)NCC[C@H](O)C(=O)[O-])o1 ZINC001607380756 1018999926 /nfs/dbraw/zinc/99/99/26/1018999926.db2.gz RYIOXDZNXKETSL-LXOKAJLYSA-N -1 0 317.319 -0.352 20 0 DBADRM C[S@](=O)C1(CN2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)CCC1 ZINC001607384181 1019000432 /nfs/dbraw/zinc/00/04/32/1019000432.db2.gz CGBJWBIKDBAVAA-ZQCIHRQDSA-N -1 0 314.363 -0.071 20 0 DBADRM CS(=O)(=O)c1ccnc(N2CCC([C@H](O)C(=O)[O-])CC2)n1 ZINC001607382986 1019000670 /nfs/dbraw/zinc/00/06/70/1019000670.db2.gz APGCHDXNTYPWEC-JTQLQIEISA-N -1 0 315.351 -0.458 20 0 DBADRM CSC[C@](C)(O)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001607392961 1019000977 /nfs/dbraw/zinc/00/09/77/1019000977.db2.gz QCOXHEUFFOMMQB-NOZJJQNGSA-N -1 0 318.395 -0.460 20 0 DBADRM CS[C@@H](CO)[C@@H](C)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001607390325 1019002249 /nfs/dbraw/zinc/00/22/49/1019002249.db2.gz SSZNZFFPTYVYFU-APPZFPTMSA-N -1 0 317.371 -0.612 20 0 DBADRM C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001607422403 1019003795 /nfs/dbraw/zinc/00/37/95/1019003795.db2.gz ZFNKWXLCLAPAME-AMIZOPFISA-N -1 0 302.327 -0.052 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)c1cnn(C)c1N ZINC001607419311 1019004279 /nfs/dbraw/zinc/00/42/79/1019004279.db2.gz WHEFISXJOQJXCZ-ZETCQYMHSA-N -1 0 319.325 -0.279 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001607399692 1019004394 /nfs/dbraw/zinc/00/43/94/1019004394.db2.gz GWIGGZDTWAXJKL-CIUDSAMLSA-N -1 0 319.383 -0.523 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001607400394 1019004431 /nfs/dbraw/zinc/00/44/31/1019004431.db2.gz ZZHYGFAAPHNRSJ-QPUJVOFHSA-N -1 0 319.383 -0.616 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)c1cn[nH]c(=O)c1 ZINC001607419390 1019004874 /nfs/dbraw/zinc/00/48/74/1019004874.db2.gz YUZNGTYNGGJYTL-ZETCQYMHSA-N -1 0 318.293 -0.099 20 0 DBADRM C[C@@H](O)[C@@H](CO)NC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001607423987 1019005603 /nfs/dbraw/zinc/00/56/03/1019005603.db2.gz KDFZQOHKZQGCLP-LDYMZIIASA-N -1 0 322.321 -0.016 20 0 DBADRM C[C@@H](CCNC(=O)[C@H]1CCC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001607419207 1019005695 /nfs/dbraw/zinc/00/56/95/1019005695.db2.gz HQPVXKXPBSBLPT-WCBMZHEXSA-N -1 0 321.337 -0.240 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CCO)C[C@@H](C(=O)[O-])O1 ZINC001607428653 1019006760 /nfs/dbraw/zinc/00/67/60/1019006760.db2.gz NWBWHCMZOCBZBG-VWYCJHECSA-N -1 0 314.338 -0.940 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)Cn1ccc2ccccc2c1=O)C(=O)[O-] ZINC001607424808 1019007125 /nfs/dbraw/zinc/00/71/25/1019007125.db2.gz NHQAICRQQOUPGF-RNCFNFMXSA-N -1 0 304.302 -0.048 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cnccn2)C[C@@H](C(=O)[O-])O1 ZINC001607428615 1019007290 /nfs/dbraw/zinc/00/72/90/1019007290.db2.gz KOMLKNKVYPQUIL-KOLCDFICSA-N -1 0 322.321 -0.865 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)C[C@@H](C(=O)[O-])O1 ZINC001607428002 1019007566 /nfs/dbraw/zinc/00/75/66/1019007566.db2.gz RKBBNGSXUZJPMT-SCZZXKLOSA-N -1 0 323.305 -0.976 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]cn2)C[C@H]1CC(=O)[O-] ZINC001607428758 1019007865 /nfs/dbraw/zinc/00/78/65/1019007865.db2.gz MSDXZLLOLBXQHB-NXEZZACHSA-N -1 0 308.338 -0.063 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CCC(C(=O)N(C)C)CC1)C(=O)[O-] ZINC001607424179 1019007897 /nfs/dbraw/zinc/00/78/97/1019007897.db2.gz NJNSUUBVCPSNNO-SFXRXQKFSA-N -1 0 300.355 -0.169 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCS1(=O)=O ZINC001607432632 1019009422 /nfs/dbraw/zinc/00/94/22/1019009422.db2.gz PSCWYFDRCDRALP-OPRDCNLKSA-N -1 0 320.367 -0.695 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnc3c(c2)nnn3C)C[C@@H](C(=O)[O-])O1 ZINC001607436218 1019009773 /nfs/dbraw/zinc/00/97/73/1019009773.db2.gz IIXPUBSNRGPZED-XCBNKYQSSA-N -1 0 305.294 -0.323 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCc3nnn(C)c3C2)C[C@@H](C(=O)[O-])O1 ZINC001607432205 1019010005 /nfs/dbraw/zinc/01/00/05/1019010005.db2.gz NRFSPOWCYDNNHW-PTRXPTGYSA-N -1 0 323.353 -0.444 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2C[C@H](O)CN2c2ccncn2)C[C@H]1C(=O)[O-] ZINC001607430336 1019010672 /nfs/dbraw/zinc/01/06/72/1019010672.db2.gz YRJBLDHFOYNODC-WRWGMCAJSA-N -1 0 320.349 -0.405 20 0 DBADRM C[C@@H]1CN(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)C[C@H]1C(=O)[O-] ZINC001607434724 1019010875 /nfs/dbraw/zinc/01/08/75/1019010875.db2.gz XWXUIMKUSIUIAO-PSASIEDQSA-N -1 0 322.321 -0.482 20 0 DBADRM C[C@@H]1CN(c2nnnn2CCCC(=O)N(C)C)C[C@H]1C(=O)[O-] ZINC001607441849 1019011409 /nfs/dbraw/zinc/01/14/09/1019011409.db2.gz XFZYOHZBHWHQKC-NXEZZACHSA-N -1 0 310.358 -0.302 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCC(Cc3nn[nH]n3)CC2)O[C@H]1C(=O)[O-] ZINC001607439810 1019011743 /nfs/dbraw/zinc/01/17/43/1019011743.db2.gz SAHYDNJSOHNNQM-HLUHBDAQSA-N -1 0 323.353 -0.141 20 0 DBADRM C[C@@H]1CN(c2nnc(CS(C)(=O)=O)n2C)C[C@H]1C(=O)[O-] ZINC001607441218 1019011839 /nfs/dbraw/zinc/01/18/39/1019011839.db2.gz OXOQYLDUIPKRLZ-HTQZYQBOSA-N -1 0 302.356 -0.483 20 0 DBADRM C[C@@H]1CN(c2nnc([C@@H]3CCNC(=O)C3)n2C)C[C@H]1C(=O)[O-] ZINC001607442068 1019012059 /nfs/dbraw/zinc/01/20/59/1019012059.db2.gz VWCMUGKMQGEBPP-OPRDCNLKSA-N -1 0 307.354 -0.034 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN[C@@H](c3cnn(C)c3)C2)O[C@H]1C(=O)[O-] ZINC001607441314 1019012647 /nfs/dbraw/zinc/01/26/47/1019012647.db2.gz JLGQSABVXJYIPF-OJAKKHQRSA-N -1 0 322.365 -0.229 20 0 DBADRM C[C@@H]1CN(c2nnnn2C[C@H]2COCCO2)C[C@H]1CC(=O)[O-] ZINC001607441471 1019012799 /nfs/dbraw/zinc/01/27/99/1019012799.db2.gz UHTBADKOWMEKCN-MXWKQRLJSA-N -1 0 311.342 -0.365 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN[C@H](c3cnn(C)c3)C2)O[C@H]1C(=O)[O-] ZINC001607441313 1019013260 /nfs/dbraw/zinc/01/32/60/1019013260.db2.gz JLGQSABVXJYIPF-GWNIPJSYSA-N -1 0 322.365 -0.229 20 0 DBADRM C[C@@H]1CN(c2nnnn2CCOC2CCC2)C[C@@H](C(=O)[O-])O1 ZINC001607440304 1019013391 /nfs/dbraw/zinc/01/33/91/1019013391.db2.gz FBJFVHDSIZBQQW-KOLCDFICSA-N -1 0 311.342 -0.080 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCC2(C(N)=O)CCOCC2)O[C@H]1C(=O)[O-] ZINC001607442776 1019013519 /nfs/dbraw/zinc/01/35/19/1019013519.db2.gz KOOSSBHEMZHMJL-OPRDCNLKSA-N -1 0 314.338 -0.737 20 0 DBADRM C[C@]12CN(CC(N)=O)C[C@@]1(C)CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C2 ZINC001607448915 1019014303 /nfs/dbraw/zinc/01/43/03/1019014303.db2.gz BGWYHSCBLVTVCQ-IDMWTJEOSA-N -1 0 309.366 -0.637 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001607454136 1019015085 /nfs/dbraw/zinc/01/50/85/1019015085.db2.gz RPUGSMAENIAWHR-RKDXNWHRSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)CNC(=O)C1CC1 ZINC001607454141 1019015103 /nfs/dbraw/zinc/01/51/03/1019015103.db2.gz RZDMMFBTENRYJJ-MRVPVSSYSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)Cc1cn2ccccc2n1)C(=O)[O-] ZINC001607458722 1019015312 /nfs/dbraw/zinc/01/53/12/1019015312.db2.gz PNNTUVRIZSNYKC-UWVGGRQHSA-N -1 0 318.333 -0.029 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-] ZINC001607457891 1019015971 /nfs/dbraw/zinc/01/59/71/1019015971.db2.gz AXXLWFNPYCBLSP-CIUDSAMLSA-N -1 0 323.353 -0.986 20 0 DBADRM C[C@@]12CN(C(=O)C(=O)N3CC(O)(C(=O)[O-])C3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001607449753 1019016112 /nfs/dbraw/zinc/01/61/12/1019016112.db2.gz RTZCQPUYXULQMB-RSQPEXBXSA-N -1 0 322.361 -0.461 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1ccn(C(F)F)n1)C(=O)[O-] ZINC001607459527 1019017088 /nfs/dbraw/zinc/01/70/88/1019017088.db2.gz DNSPBDZJKZPMSU-WDSKDSINSA-N -1 0 304.253 -0.014 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc2ncn(C)c2n1)C(=O)[O-] ZINC001607460219 1019017428 /nfs/dbraw/zinc/01/74/28/1019017428.db2.gz ZNWTWDSSCKSRDJ-YUMQZZPRSA-N -1 0 319.321 -0.324 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cnc2cccnn21)C(=O)[O-] ZINC001607460094 1019018049 /nfs/dbraw/zinc/01/80/49/1019018049.db2.gz SGFIDGVBMLEZRZ-YUMQZZPRSA-N -1 0 305.294 -0.563 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCOCC(F)(F)C1)C(=O)[O-] ZINC001607459587 1019018710 /nfs/dbraw/zinc/01/87/10/1019018710.db2.gz RAPFAPQYVXIUFB-YUMQZZPRSA-N -1 0 323.296 -0.359 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1 ZINC001607462192 1019019409 /nfs/dbraw/zinc/01/94/09/1019019409.db2.gz SCJPLRHITMAHFS-RWMBFGLXSA-N -1 0 314.382 -0.219 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC[C@H]1C(=O)[O-] ZINC001607470809 1019019985 /nfs/dbraw/zinc/01/99/85/1019019985.db2.gz XUHXEEZTRALPSS-MMWGEVLESA-N -1 0 313.354 -0.229 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CC2(O)CCC2)C[C@@H](C(=O)[O-])O1 ZINC001607467443 1019020574 /nfs/dbraw/zinc/02/05/74/1019020574.db2.gz WETRIIKMMBMAID-UWVGGRQHSA-N -1 0 314.338 -0.940 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001607483640 1019021775 /nfs/dbraw/zinc/02/17/75/1019021775.db2.gz CBQFFHQSPRWEKK-MUWHJKNJSA-N -1 0 311.294 -0.561 20 0 DBADRM C[C@H]1CN(C[C@@H]2CN=C(c3cnn(C)c3)O2)C[C@@H](C(=O)[O-])O1 ZINC001607476724 1019021965 /nfs/dbraw/zinc/02/19/65/1019021965.db2.gz UGUIXTANPLZNCB-DLOVCJGASA-N -1 0 308.338 -0.261 20 0 DBADRM Cc1[nH]c(C(=O)N2CCN(C(=O)CO)CC2)c(C)c1C(=O)[O-] ZINC001607488542 1019023096 /nfs/dbraw/zinc/02/30/96/1019023096.db2.gz HJSTYQPWVJYWMI-UHFFFAOYSA-N -1 0 309.322 -0.394 20 0 DBADRM Cc1[nH]c(C(=O)CN2CCN(C(=O)CO)CC2)c(C)c1C(=O)[O-] ZINC001607485978 1019023258 /nfs/dbraw/zinc/02/32/58/1019023258.db2.gz NCILMZIVHHATGA-UHFFFAOYSA-N -1 0 323.349 -0.351 20 0 DBADRM C[C@H]1CN(C[C@@H]2[C@H](C(=O)[O-])C2(F)F)CCN1S(C)(=O)=O ZINC001607475965 1019023558 /nfs/dbraw/zinc/02/35/58/1019023558.db2.gz AZXHNPSIXYQZBK-DJLDLDEBSA-N -1 0 312.338 -0.082 20 0 DBADRM Cc1c(NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)cnn1CC(=O)[O-] ZINC001607483673 1019023825 /nfs/dbraw/zinc/02/38/25/1019023825.db2.gz DRAJZVXYOVQYRM-UHFFFAOYSA-N -1 0 321.293 -0.033 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)C2(C(=O)[O-])CCC2)C[C@H](C)N1CCO ZINC001607477988 1019024191 /nfs/dbraw/zinc/02/41/91/1019024191.db2.gz BEIGVZVZPAXDTI-PHIMTYICSA-N -1 0 320.411 -0.290 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1-c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C ZINC001607483663 1019024364 /nfs/dbraw/zinc/02/43/64/1019024364.db2.gz DIPFYALOBCWANX-SSDOTTSWSA-N -1 0 320.309 -0.097 20 0 DBADRM Cc1c(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cnn1C ZINC001607508873 1019024877 /nfs/dbraw/zinc/02/48/77/1019024877.db2.gz ZBUFKJAEYAMALD-WDEREUQCSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)CN2C(=O)CNC2=O)n1C ZINC001607513298 1019025672 /nfs/dbraw/zinc/02/56/72/1019025672.db2.gz QANNZNWGAUXHRO-UHFFFAOYSA-N -1 0 308.294 -0.800 20 0 DBADRM Cc1c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nnn1C ZINC001607509754 1019025752 /nfs/dbraw/zinc/02/57/52/1019025752.db2.gz IULSXJBUPQQWFX-QCLAVDOMSA-N -1 0 321.337 -0.779 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)CN2CCN(C)C(=O)C2)n1C ZINC001607513806 1019025959 /nfs/dbraw/zinc/02/59/59/1019025959.db2.gz XBSMRUBPVGHVSB-UHFFFAOYSA-N -1 0 322.365 -0.578 20 0 DBADRM Cc1c(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)ccn1C ZINC001607504400 1019026092 /nfs/dbraw/zinc/02/60/92/1019026092.db2.gz MCMZEDDHKGJVBT-NWDGAFQWSA-N -1 0 305.334 -0.005 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)N2C[C@H](CO)[C@H](O)C2)n1C ZINC001607515476 1019026168 /nfs/dbraw/zinc/02/61/68/1019026168.db2.gz YNXFPFRAQBJLGE-BXKDBHETSA-N -1 0 311.338 -0.474 20 0 DBADRM Cc1c(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cnn1C ZINC001607507530 1019026406 /nfs/dbraw/zinc/02/64/06/1019026406.db2.gz TYKWWQWMQUNXPC-HNNXBMFYSA-N -1 0 322.365 -0.270 20 0 DBADRM Cc1c(C(=O)NC[C@@H](C)Nc2ccnc(C(=O)[O-])n2)cnn1C ZINC001607507841 1019026666 /nfs/dbraw/zinc/02/66/66/1019026666.db2.gz DKZZONZKGMBOBO-MRVPVSSYSA-N -1 0 318.337 -0.131 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607500163 1019027342 /nfs/dbraw/zinc/02/73/42/1019027342.db2.gz MYIWWRQPJBHMNM-RGOKHQFPSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC3(C2)CCCO3)cnn1CC(=O)[O-] ZINC001607535365 1019028021 /nfs/dbraw/zinc/02/80/21/1019028021.db2.gz PMRDYJFWOGFFKU-UHFFFAOYSA-N -1 0 322.321 -0.394 20 0 DBADRM Cc1c(CC(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cnn1C ZINC001607526452 1019028096 /nfs/dbraw/zinc/02/80/96/1019028096.db2.gz NMMLDVVZGWZEOQ-NWDGAFQWSA-N -1 0 320.349 -0.681 20 0 DBADRM Cc1c(C(=O)[O-])csc1NC(=O)C(=O)N(C)C[C@H](O)CO ZINC001607518912 1019028307 /nfs/dbraw/zinc/02/83/07/1019028307.db2.gz LWSGJHXWDVPWDC-ZETCQYMHSA-N -1 0 316.335 -0.495 20 0 DBADRM Cc1c(NC(=S)NCCS(C)(=O)=O)cnn1CC(=O)[O-] ZINC001607551029 1019028415 /nfs/dbraw/zinc/02/84/15/1019028415.db2.gz ACIXIQHXKTXPFD-UHFFFAOYSA-N -1 0 320.396 -0.393 20 0 DBADRM Cc1c(NC(=O)C2CN(S(C)(=O)=O)C2)cnn1CC(=O)[O-] ZINC001607539554 1019028668 /nfs/dbraw/zinc/02/86/68/1019028668.db2.gz FBKHJKKIZJQNQA-UHFFFAOYSA-N -1 0 316.339 -0.894 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCCO[C@H](C)C2)cnn1CC(=O)[O-] ZINC001607535489 1019028727 /nfs/dbraw/zinc/02/87/27/1019028727.db2.gz RPDPOLOFIITKIU-SECBINFHSA-N -1 0 324.337 -0.148 20 0 DBADRM Cc1c(NC(=O)C(=O)N(C)Cc2cc[nH]n2)cnn1CC(=O)[O-] ZINC001607535719 1019028754 /nfs/dbraw/zinc/02/87/54/1019028754.db2.gz UACCUEZGNKJYMZ-UHFFFAOYSA-N -1 0 320.309 -0.404 20 0 DBADRM Cc1c(CC(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cnn1C ZINC001607526451 1019028839 /nfs/dbraw/zinc/02/88/39/1019028839.db2.gz NMMLDVVZGWZEOQ-NEPJUHHUSA-N -1 0 320.349 -0.681 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@](C)(O)C2CC2)cnn1CC(=O)[O-] ZINC001607537713 1019029011 /nfs/dbraw/zinc/02/90/11/1019029011.db2.gz WKQOYLRFTPVZGC-AWEZNQCLSA-N -1 0 324.337 -0.508 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@H](O)[C@@H](C)C2)cnn1CC(=O)[O-] ZINC001607535125 1019029481 /nfs/dbraw/zinc/02/94/81/1019029481.db2.gz HZAALTAHLFCHBO-XVKPBYJWSA-N -1 0 310.310 -0.946 20 0 DBADRM Cc1c(NC(=O)C2(S(N)(=O)=O)CC2)cnn1CC(=O)[O-] ZINC001607540210 1019029706 /nfs/dbraw/zinc/02/97/06/1019029706.db2.gz NDIAECJULCKSEG-UHFFFAOYSA-N -1 0 302.312 -0.964 20 0 DBADRM Cc1c(NC(=O)C(=O)NC2(C(N)=O)CC2)ccc(F)c1C(=O)[O-] ZINC001607537928 1019029736 /nfs/dbraw/zinc/02/97/36/1019029736.db2.gz ZKXRQOVPRJWUBB-UHFFFAOYSA-N -1 0 323.280 -0.095 20 0 DBADRM Cc1c(NC(=O)C(=O)N(C)CC[C@H](C)O)cnn1CC(=O)[O-] ZINC001607536013 1019029802 /nfs/dbraw/zinc/02/98/02/1019029802.db2.gz ZBRHFRZXDYOJOH-QMMMGPOBSA-N -1 0 312.326 -0.556 20 0 DBADRM Cc1c(NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)nnn1C ZINC001607541856 1019030164 /nfs/dbraw/zinc/03/01/64/1019030164.db2.gz ADIXADHRSVTYOV-GFCCVEGCSA-N -1 0 308.298 -0.039 20 0 DBADRM Cc1cc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)ccc1-n1cnnn1 ZINC001607570828 1019030983 /nfs/dbraw/zinc/03/09/83/1019030983.db2.gz FMTWMVFNXHNUDW-AWEZNQCLSA-N -1 0 317.305 -0.368 20 0 DBADRM Cc1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n(C)n1 ZINC001607570055 1019031209 /nfs/dbraw/zinc/03/12/09/1019031209.db2.gz XKONHARLNALDRW-GHMZBOCLSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n(C)n1 ZINC001607570058 1019031408 /nfs/dbraw/zinc/03/14/08/1019031408.db2.gz XKONHARLNALDRW-WDEREUQCSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cc(C(=O)NC[C@H](O)CNc2ncc(C(=O)[O-])cn2)no1 ZINC001607578173 1019032173 /nfs/dbraw/zinc/03/21/73/1019032173.db2.gz PLNUINUVKWYFQU-VIFPVBQESA-N -1 0 321.293 -0.326 20 0 DBADRM Cc1cc(=O)[nH]c(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1 ZINC001607560526 1019032416 /nfs/dbraw/zinc/03/24/16/1019032416.db2.gz KMUYUUWXGQGUSP-SECBINFHSA-N -1 0 322.321 -0.570 20 0 DBADRM Cc1cc(C(=O)NC[C@H](O)CS(C)(=O)=O)oc1C(=O)[O-] ZINC001607578121 1019032556 /nfs/dbraw/zinc/03/25/56/1019032556.db2.gz MASAEOCJQWENKZ-ZETCQYMHSA-N -1 0 305.308 -0.578 20 0 DBADRM Cc1cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)ncc1C(N)=O ZINC001607570545 1019032575 /nfs/dbraw/zinc/03/25/75/1019032575.db2.gz QBLUGZQBSXWZCV-UHFFFAOYSA-N -1 0 307.306 -0.459 20 0 DBADRM Cc1cc(CC(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001607635542 1019033442 /nfs/dbraw/zinc/03/34/42/1019033442.db2.gz BPLSFERVJODAKY-NWDGAFQWSA-N -1 0 320.349 -0.444 20 0 DBADRM Cc1cc(CC(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001607635544 1019034711 /nfs/dbraw/zinc/03/47/11/1019034711.db2.gz BPLSFERVJODAKY-VXGBXAGGSA-N -1 0 320.349 -0.444 20 0 DBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CNC(=O)C2)c1F ZINC001607593277 1019034821 /nfs/dbraw/zinc/03/48/21/1019034821.db2.gz OZVRKJQPHBOKFH-QMMMGPOBSA-N -1 0 316.310 -0.001 20 0 DBADRM Cc1cc(CS(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])on1 ZINC001607653698 1019036919 /nfs/dbraw/zinc/03/69/19/1019036919.db2.gz SFMXJCOCLBGPIT-PSASIEDQSA-N -1 0 304.324 -0.108 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H](C)C[S@@](C)=O)c(C(=O)[O-])[nH]1 ZINC001607670753 1019037438 /nfs/dbraw/zinc/03/74/38/1019037438.db2.gz ONIPBZCSFMDEAV-WODJRTHDSA-N -1 0 315.351 -0.157 20 0 DBADRM Cc1cc(F)ccc1-n1cc(C(=O)NC[C@H](O)C(=O)[O-])nn1 ZINC001607663566 1019037758 /nfs/dbraw/zinc/03/77/58/1019037758.db2.gz HPNYHPQHDTWGJU-NSHDSACASA-N -1 0 308.269 -0.110 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001607699244 1019038098 /nfs/dbraw/zinc/03/80/98/1019038098.db2.gz IJQJUWJEYFHJCG-ZYHUDNBSSA-N -1 0 324.333 -0.284 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001607700096 1019039830 /nfs/dbraw/zinc/03/98/30/1019039830.db2.gz SEEWLPDHIRTVKG-JTQLQIEISA-N -1 0 310.306 -0.436 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N(CC(=O)[O-])C1CC1 ZINC001607710877 1019040327 /nfs/dbraw/zinc/04/03/27/1019040327.db2.gz XNIRSBNMCVJWDQ-UHFFFAOYSA-N -1 0 302.308 -0.075 20 0 DBADRM Cc1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)c(=O)n1C ZINC001607782270 1019041729 /nfs/dbraw/zinc/04/17/29/1019041729.db2.gz HJQOMGWGJWRTNI-UHFFFAOYSA-N -1 0 305.294 -0.700 20 0 DBADRM Cc1cccc2c(=O)n(CC(=O)NC[C@H](O)CC(=O)[O-])cnc12 ZINC001607866514 1019042361 /nfs/dbraw/zinc/04/23/61/1019042361.db2.gz URYSNARZRKXHDS-SNVBAGLBSA-N -1 0 319.317 -0.343 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@H](CF)C(=O)[O-] ZINC001607838188 1019042698 /nfs/dbraw/zinc/04/26/98/1019042698.db2.gz FFHSFTGJDHLAQB-NOZJJQNGSA-N -1 0 300.286 -0.553 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CF)C(=O)[O-])cc1 ZINC001607820307 1019042877 /nfs/dbraw/zinc/04/28/77/1019042877.db2.gz VCJNSBGTYOVFKA-JTQLQIEISA-N -1 0 318.326 -0.188 20 0 DBADRM Cc1ccc2ncc(C(=O)NC[C@@H](O)CC(=O)[O-])c(=O)n2c1 ZINC001607833392 1019042953 /nfs/dbraw/zinc/04/29/53/1019042953.db2.gz FRNUBTMMPISBAP-VIFPVBQESA-N -1 0 305.290 -0.432 20 0 DBADRM Cc1cn2nnc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)c2c(=O)[nH]1 ZINC001607903583 1019044584 /nfs/dbraw/zinc/04/45/84/1019044584.db2.gz YCRDMWJUQMVWPO-MRVPVSSYSA-N -1 0 321.293 -0.546 20 0 DBADRM Cc1cn(C)nc1C(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001607901555 1019044808 /nfs/dbraw/zinc/04/48/08/1019044808.db2.gz RRXUGBSPNQBHAC-UWVGGRQHSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1ccnc(C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001607892653 1019046034 /nfs/dbraw/zinc/04/60/34/1019046034.db2.gz DJEGFPOQIVOOII-ZJUUUORDSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1cn(C)nc1C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001607901557 1019046636 /nfs/dbraw/zinc/04/66/36/1019046636.db2.gz RRXUGBSPNQBHAC-VHSXEESVSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1nonc1C(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001502403716 1019046744 /nfs/dbraw/zinc/04/67/44/1019046744.db2.gz ZRQOHJWULZFDGZ-UHFFFAOYSA-N -1 0 309.330 -0.204 20 0 DBADRM Cc1cnn(CC(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)c1 ZINC001607916846 1019047490 /nfs/dbraw/zinc/04/74/90/1019047490.db2.gz ZNPMKKWMQDLODD-NEPJUHHUSA-N -1 0 320.349 -0.417 20 0 DBADRM Cc1cncc(CNC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC001607909927 1019047508 /nfs/dbraw/zinc/04/75/08/1019047508.db2.gz NQGBVUAAXFASEZ-GFCCVEGCSA-N -1 0 321.333 -0.292 20 0 DBADRM Cc1cnc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])s1 ZINC001607910724 1019047526 /nfs/dbraw/zinc/04/75/26/1019047526.db2.gz TWZSFUAXUVJGPY-YUMQZZPRSA-N -1 0 313.335 -0.173 20 0 DBADRM Cc1cnc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])s1 ZINC001607910723 1019047929 /nfs/dbraw/zinc/04/79/29/1019047929.db2.gz TWZSFUAXUVJGPY-SFYZADRCSA-N -1 0 313.335 -0.173 20 0 DBADRM Cc1cnn(CC(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)c1 ZINC001607916151 1019047983 /nfs/dbraw/zinc/04/79/83/1019047983.db2.gz JIXKRWPXDHQDMK-MNOVXSKESA-N -1 0 320.349 -0.323 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001607916909 1019048104 /nfs/dbraw/zinc/04/81/04/1019048104.db2.gz LWBVWDZXAHJZKQ-LLVKDONJSA-N -1 0 303.340 -0.502 20 0 DBADRM Cc1cnn(CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001607916307 1019048294 /nfs/dbraw/zinc/04/82/94/1019048294.db2.gz MARREGOQDNHNGV-GHMZBOCLSA-N -1 0 306.322 -0.761 20 0 DBADRM Cc1cncc(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1 ZINC001607909726 1019048375 /nfs/dbraw/zinc/04/83/75/1019048375.db2.gz LYQONDLIRPKATK-NEPJUHHUSA-N -1 0 321.333 -0.700 20 0 DBADRM Cc1cnn(CC(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001607916308 1019048969 /nfs/dbraw/zinc/04/89/69/1019048969.db2.gz MARREGOQDNHNGV-MNOVXSKESA-N -1 0 306.322 -0.761 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)n1 ZINC001607910580 1019049258 /nfs/dbraw/zinc/04/92/58/1019049258.db2.gz ZPQCIYGKWDRUQF-HOMQSWHASA-N -1 0 306.322 -0.577 20 0 DBADRM Cc1cnc(C)c(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1 ZINC001607906096 1019049454 /nfs/dbraw/zinc/04/94/54/1019049454.db2.gz UENQAWRTYNBCKV-GHMZBOCLSA-N -1 0 321.333 -0.069 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001607916072 1019049927 /nfs/dbraw/zinc/04/99/27/1019049927.db2.gz LHVPZMNAAAUMEO-OAHLLOKOSA-N -1 0 322.365 -0.270 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCC2CC(O)C2)c1C(=O)[O-] ZINC001607938181 1019050689 /nfs/dbraw/zinc/05/06/89/1019050689.db2.gz MXYCBNVZHZGOOO-UHFFFAOYSA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1n[nH]c(C)c1CCNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001607936420 1019050914 /nfs/dbraw/zinc/05/09/14/1019050914.db2.gz GYZGUKGZUKBOJN-UHFFFAOYSA-N -1 0 313.339 -0.031 20 0 DBADRM Cc1csc(C(=O)[O-])c1NC(=O)C(=O)N[C@@H]1CNC(=O)C1 ZINC001607922605 1019051394 /nfs/dbraw/zinc/05/13/94/1019051394.db2.gz BUKVUMUWOCLWJP-LURJTMIESA-N -1 0 311.319 -0.302 20 0 DBADRM Cc1csc(=O)n1CCC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001607921838 1019051534 /nfs/dbraw/zinc/05/15/34/1019051534.db2.gz LUQVZJVBABDFNU-LBPRGKRZSA-N -1 0 300.336 -0.344 20 0 DBADRM Cc1nnc(CNS(=O)(=O)c2csnc2C(=O)[O-])[nH]1 ZINC001607936198 1019051868 /nfs/dbraw/zinc/05/18/68/1019051868.db2.gz BSARHDHUYOFVHN-UHFFFAOYSA-N -1 0 303.325 -0.254 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCc2cnn(C)n2)c1C(=O)[O-] ZINC001607938402 1019052339 /nfs/dbraw/zinc/05/23/39/1019052339.db2.gz PTBVQWPSSVYFJK-UHFFFAOYSA-N -1 0 300.300 -0.977 20 0 DBADRM Cc1nnc(CC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)[nH]1 ZINC001607936295 1019052750 /nfs/dbraw/zinc/05/27/50/1019052750.db2.gz AUMUEQWGTAHCFB-QMMMGPOBSA-N -1 0 305.298 -0.581 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001607917869 1019052892 /nfs/dbraw/zinc/05/28/92/1019052892.db2.gz URTSXPMFMQBGCV-UWVGGRQHSA-N -1 0 322.317 -0.055 20 0 DBADRM Cc1nc(C)c(CCNC(=O)C(=O)NC[C@H](F)C(=O)[O-])s1 ZINC001607950510 1019054043 /nfs/dbraw/zinc/05/40/43/1019054043.db2.gz WABKVMMHFJHOCG-QMMMGPOBSA-N -1 0 317.342 -0.042 20 0 DBADRM Cc1nc(C)n(C2CN(S(=O)(=O)N(C)CCC(=O)[O-])C2)n1 ZINC001607952301 1019054987 /nfs/dbraw/zinc/05/49/87/1019054987.db2.gz OQDYQDNOJDLVJT-UHFFFAOYSA-N -1 0 317.371 -0.597 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001607940591 1019056072 /nfs/dbraw/zinc/05/60/72/1019056072.db2.gz HKWHOXKGRSKMDW-ZDUSSCGKSA-N -1 0 309.326 -0.885 20 0 DBADRM Cc1n[nH]nc1C(=O)N(C)CCCNc1ccnc(C(=O)[O-])n1 ZINC001607939862 1019056326 /nfs/dbraw/zinc/05/63/26/1019056326.db2.gz XGAFKKJPZZYMKT-UHFFFAOYSA-N -1 0 319.325 -0.403 20 0 DBADRM Cc1nc2n(n1)CCN(S(=O)(=O)c1ccc(C(=O)[O-])nc1)C2 ZINC001607976280 1019056891 /nfs/dbraw/zinc/05/68/91/1019056891.db2.gz GCMVZWLNTIQTFT-UHFFFAOYSA-N -1 0 323.334 -0.116 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607975319 1019057201 /nfs/dbraw/zinc/05/72/01/1019057201.db2.gz ABCUVEASFSXYGT-RKDXNWHRSA-N -1 0 320.305 -0.848 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])nn1C ZINC001607963274 1019057840 /nfs/dbraw/zinc/05/78/40/1019057840.db2.gz YUSMBNYCXPIIJC-GUBZILKMSA-N -1 0 321.337 -0.226 20 0 DBADRM Cc1nc2ncnn2c(C)c1CCC(=O)NCC[C@H](O)C(=O)[O-] ZINC001607976757 1019058123 /nfs/dbraw/zinc/05/81/23/1019058123.db2.gz OCJLLIYLDNFZFK-NSHDSACASA-N -1 0 321.337 -0.374 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])nn1C ZINC001607963276 1019058306 /nfs/dbraw/zinc/05/83/06/1019058306.db2.gz YUSMBNYCXPIIJC-LPEHRKFASA-N -1 0 321.337 -0.226 20 0 DBADRM Cc1nc2c(cnn2C)c(NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001607966334 1019059346 /nfs/dbraw/zinc/05/93/46/1019059346.db2.gz VEFCWGLONJOWRW-BDAKNGLRSA-N -1 0 318.337 -0.079 20 0 DBADRM Cc1nc2ccnn2cc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001607974902 1019059411 /nfs/dbraw/zinc/05/94/11/1019059411.db2.gz PPRRUVWTHIZCEE-JTQLQIEISA-N -1 0 317.305 -0.547 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])s1 ZINC001607985307 1019059862 /nfs/dbraw/zinc/05/98/62/1019059862.db2.gz ODCHPSWCDPAPMI-WDSKDSINSA-N -1 0 321.380 -0.292 20 0 DBADRM Cc1ncncc1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607991083 1019059889 /nfs/dbraw/zinc/05/98/89/1019059889.db2.gz USKXEMRPWPAUFY-QWRGUYRKSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1nn(C)c(C)c1CCC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001607997946 1019059914 /nfs/dbraw/zinc/05/99/14/1019059914.db2.gz BBAQRBZJDDDVID-LBPRGKRZSA-N -1 0 322.365 -0.277 20 0 DBADRM Cc1ncoc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607992623 1019060029 /nfs/dbraw/zinc/06/00/29/1019060029.db2.gz DLOXTRXUQLTZGP-ZJUUUORDSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1ncc(S(=O)(=O)NCCOCCCO)cc1C(=O)[O-] ZINC001607985711 1019060324 /nfs/dbraw/zinc/06/03/24/1019060324.db2.gz ULVJTCZEHRHKBS-UHFFFAOYSA-N -1 0 318.351 -0.234 20 0 DBADRM Cc1ncn(C)c1C(=O)NCC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607991284 1019060615 /nfs/dbraw/zinc/06/06/15/1019060615.db2.gz VWBRXGBMQHRETD-QWRGUYRKSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1ncc(S(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)n1C ZINC001607986707 1019061920 /nfs/dbraw/zinc/06/19/20/1019061920.db2.gz GUSOUKFIHZURNY-UHFFFAOYSA-N -1 0 303.340 -0.767 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001607996833 1019062169 /nfs/dbraw/zinc/06/21/69/1019062169.db2.gz OPNOURPYQTUJOQ-CQSZACIVSA-N -1 0 309.322 -0.173 20 0 DBADRM Cc1ncccc1CC(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607988739 1019062356 /nfs/dbraw/zinc/06/23/56/1019062356.db2.gz IRTRHHIISWYQGK-STQMWFEESA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1nn(CC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c(=O)n1C ZINC001608004160 1019063080 /nfs/dbraw/zinc/06/30/80/1019063080.db2.gz QWHDPUAIBLTUHW-HZMBPMFUSA-N -1 0 308.338 -0.396 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)C[C@H]1CCNC1=O ZINC001608003863 1019063718 /nfs/dbraw/zinc/06/37/18/1019063718.db2.gz BOGLTINWHKWYCH-SNVBAGLBSA-N -1 0 308.338 -0.273 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001608004023 1019064623 /nfs/dbraw/zinc/06/46/23/1019064623.db2.gz DWUPJPXZPDDWPK-SNVBAGLBSA-N -1 0 308.338 -0.321 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001608004577 1019064933 /nfs/dbraw/zinc/06/49/33/1019064933.db2.gz NFZGMZCOJXAWNV-AWEZNQCLSA-N -1 0 308.338 -0.131 20 0 DBADRM Cc1nn(C)c2c1cnn(CC(=O)N[C@H](C(=O)[O-])C(C)C)c2=O ZINC001608002862 1019065101 /nfs/dbraw/zinc/06/51/01/1019065101.db2.gz RQWPBSBWHDQTAB-NSHDSACASA-N -1 0 321.337 -0.336 20 0 DBADRM Cc1noc(C2CC2)c1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001608024719 1019066257 /nfs/dbraw/zinc/06/62/57/1019066257.db2.gz IENRZZWPXVOEOU-QMMMGPOBSA-N -1 0 311.294 -0.249 20 0 DBADRM Cc1noc(CCNC(=O)NCCC(=O)NCCC(=O)[O-])n1 ZINC001608026066 1019066508 /nfs/dbraw/zinc/06/65/08/1019066508.db2.gz MTJXQKSSBFIMAK-UHFFFAOYSA-N -1 0 313.314 -0.799 20 0 DBADRM Cc1noc(C)c1CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001608022991 1019067108 /nfs/dbraw/zinc/06/71/08/1019067108.db2.gz FZKHRIVQTVXIEL-SNVBAGLBSA-N -1 0 309.322 -0.117 20 0 DBADRM Cc1noc(CCNC(=O)Cn2cccc(C(=O)[O-])c2=O)n1 ZINC001608025928 1019067147 /nfs/dbraw/zinc/06/71/47/1019067147.db2.gz JBQTVBBAGMFZNH-UHFFFAOYSA-N -1 0 306.278 -0.403 20 0 DBADRM Cc1nnsc1C(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608018948 1019067270 /nfs/dbraw/zinc/06/72/70/1019067270.db2.gz OMNLIBXJMKIVLB-YUMQZZPRSA-N -1 0 324.362 -0.054 20 0 DBADRM Cc1nnccc1C(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001608018009 1019067538 /nfs/dbraw/zinc/06/75/38/1019067538.db2.gz ORQMLOHYZOCSKM-QMMMGPOBSA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1noc([C@@H](C)N(C)C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001608021591 1019067818 /nfs/dbraw/zinc/06/78/18/1019067818.db2.gz VKYRDACLLAIAEQ-VDAHYXPESA-N -1 0 310.310 -0.123 20 0 DBADRM Cc1nocc1S(=O)(=O)NCCC(=O)NCCC(=O)[O-] ZINC001608030873 1019068883 /nfs/dbraw/zinc/06/88/83/1019068883.db2.gz JLJBISFICKXYNV-UHFFFAOYSA-N -1 0 305.312 -0.758 20 0 DBADRM Cc1nocc1S(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001608030837 1019070037 /nfs/dbraw/zinc/07/00/37/1019070037.db2.gz HZLWJQJTQMSHIN-MRVPVSSYSA-N -1 0 317.323 -0.663 20 0 DBADRM Cc1nonc1C(=O)NC[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001608031329 1019070129 /nfs/dbraw/zinc/07/01/29/1019070129.db2.gz OHOZHCUTARZNQF-SSDOTTSWSA-N -1 0 320.309 -0.234 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)NC[C@H](O)CN1CCCC1=O ZINC001608036573 1019070632 /nfs/dbraw/zinc/07/06/32/1019070632.db2.gz ZAQJJMAFURMRGE-VIFPVBQESA-N -1 0 310.306 -0.001 20 0 DBADRM Cc1oc(CNC(=O)NC[C@H](O)Cn2ccnn2)cc1C(=O)[O-] ZINC001608050396 1019070938 /nfs/dbraw/zinc/07/09/38/1019070938.db2.gz XFRRKLLKBIMJHS-VIFPVBQESA-N -1 0 323.309 -0.262 20 0 DBADRM Cc1sc(=O)n(CCC(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1C ZINC001608058441 1019071304 /nfs/dbraw/zinc/07/13/04/1019071304.db2.gz LGARSSQKOHQEPJ-ZDUSSCGKSA-N -1 0 314.363 -0.035 20 0 DBADRM Cn1c2ccccc2n(CC(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1=O ZINC001608077621 1019071520 /nfs/dbraw/zinc/07/15/20/1019071520.db2.gz CZHKAIZUVPBJPJ-HNNXBMFYSA-N -1 0 319.317 -0.612 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)ccnc1-2 ZINC001608073764 1019072254 /nfs/dbraw/zinc/07/22/54/1019072254.db2.gz WNDKJIBSJMVPPZ-QMMMGPOBSA-N -1 0 317.305 -0.787 20 0 DBADRM Cc1occc(=O)c1OCC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001608055832 1019072475 /nfs/dbraw/zinc/07/24/75/1019072475.db2.gz PDYKFWUKNJBVTK-JOYOIKCWSA-N -1 0 311.290 -0.236 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)OC3(C(=O)[O-])CC3)nc2n(C)c1=O ZINC001608076989 1019072941 /nfs/dbraw/zinc/07/29/41/1019072941.db2.gz WAYKCSZOLVYBAY-UHFFFAOYSA-N -1 0 319.273 -0.594 20 0 DBADRM Cc1occc1C(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001608056205 1019072997 /nfs/dbraw/zinc/07/29/97/1019072997.db2.gz WZKKDGCIVQBGHE-NWDGAFQWSA-N -1 0 324.333 -0.141 20 0 DBADRM Cn1c(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)c[nH]c1=O ZINC001608081779 1019074581 /nfs/dbraw/zinc/07/45/81/1019074581.db2.gz PDDBOAFZJCGOEE-HTQZYQBOSA-N -1 0 322.321 -0.775 20 0 DBADRM Cn1c(=O)cc(COC(=O)c2ccc(C(=O)[O-])o2)n(C)c1=O ZINC001608090456 1019075445 /nfs/dbraw/zinc/07/54/45/1019075445.db2.gz VMQQLSHKSSCBJB-UHFFFAOYSA-N -1 0 308.246 -0.268 20 0 DBADRM Cn1c(CO)nn(CN2CCO[C@H](CC(=O)[O-])C2)c1=S ZINC001608090215 1019075485 /nfs/dbraw/zinc/07/54/85/1019075485.db2.gz QWEIZUFUTJOIAC-MRVPVSSYSA-N -1 0 302.356 -0.424 20 0 DBADRM Cn1c(CC(=O)NCC[C@H](O)C(=O)[O-])nnc1-c1ccccc1 ZINC001608087990 1019075581 /nfs/dbraw/zinc/07/55/81/1019075581.db2.gz VCLUYDUCBRLGSI-NSHDSACASA-N -1 0 318.333 -0.024 20 0 DBADRM Cn1cc(-c2noc([C@H]3CC[C@@H](C(=O)[O-])O3)n2)c(=O)n(C)c1=O ZINC001608094335 1019075887 /nfs/dbraw/zinc/07/58/87/1019075887.db2.gz XYWYSYMKNJCADF-SFYZADRCSA-N -1 0 322.277 -0.561 20 0 DBADRM Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001608080335 1019076162 /nfs/dbraw/zinc/07/61/62/1019076162.db2.gz GSHNLPQHFXIMGR-VIFPVBQESA-N -1 0 309.326 -0.659 20 0 DBADRM Cn1c(CN2CCC[C@@H]2CS(N)(=O)=O)ccc1C(=O)[O-] ZINC001608086450 1019076510 /nfs/dbraw/zinc/07/65/10/1019076510.db2.gz BAHFBCXWSMLEPQ-SNVBAGLBSA-N -1 0 301.368 -0.024 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2CCCS(=O)(=O)CC2)n1 ZINC001608098600 1019076926 /nfs/dbraw/zinc/07/69/26/1019076926.db2.gz BKJGGZRZYHZJRV-UHFFFAOYSA-N -1 0 316.339 -0.229 20 0 DBADRM Cn1cc(C(=O)N[C@H](C(=O)[O-])c2ccsc2)c(=O)n(C)c1=O ZINC001608096846 1019076941 /nfs/dbraw/zinc/07/69/41/1019076941.db2.gz UBAOFKWBRJRCHS-VIFPVBQESA-N -1 0 323.330 -0.299 20 0 DBADRM Cn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)c(=O)[nH]c1=O ZINC001608097013 1019077096 /nfs/dbraw/zinc/07/70/96/1019077096.db2.gz YSLADXRZMOAVQB-SNVBAGLBSA-N -1 0 319.273 -0.253 20 0 DBADRM Cn1cc(C(=O)CCC(=O)NCCC(=O)NCCC(=O)[O-])cn1 ZINC001608097335 1019077152 /nfs/dbraw/zinc/07/71/52/1019077152.db2.gz XFZSSKXYQGPGMU-UHFFFAOYSA-N -1 0 324.337 -0.520 20 0 DBADRM Cn1cc(C(=O)NCc2ccc(C(=O)[O-])cn2)c(=O)[nH]c1=O ZINC001608098365 1019077231 /nfs/dbraw/zinc/07/72/31/1019077231.db2.gz GIEJCJJMAWUAFU-UHFFFAOYSA-N -1 0 304.262 -0.491 20 0 DBADRM Cn1cc(C(=O)N[C@@H](Cc2ccccc2O)C(=O)[O-])n(C)c1=O ZINC001608098152 1019077723 /nfs/dbraw/zinc/07/77/23/1019077723.db2.gz KCUQHXLLDFLJQL-JTQLQIEISA-N -1 0 319.317 -0.145 20 0 DBADRM Cn1cc(C=O)cc1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001608107270 1019079164 /nfs/dbraw/zinc/07/91/64/1019079164.db2.gz OFEDZVWPWCRKAU-JTQLQIEISA-N -1 0 307.306 -0.357 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)N3CC4CC3(C(=O)[O-])C4)C2)cn1 ZINC001608106520 1019079285 /nfs/dbraw/zinc/07/92/85/1019079285.db2.gz FRZLWYBPVZYIDI-IYXOAMITSA-N -1 0 304.306 -0.011 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001608101750 1019079467 /nfs/dbraw/zinc/07/94/67/1019079467.db2.gz GRUIRMBNALFTTD-QMMMGPOBSA-N -1 0 309.326 -0.083 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CO)[C@@H]1CCOC1 ZINC001608103975 1019080116 /nfs/dbraw/zinc/08/01/16/1019080116.db2.gz XBVCBDPIHZDFQS-SCZZXKLOSA-N -1 0 318.351 -0.601 20 0 DBADRM Cn1cc(CCC(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])cn1 ZINC001608108724 1019080229 /nfs/dbraw/zinc/08/02/29/1019080229.db2.gz RIEJVBBGLHMUDL-UHFFFAOYSA-N -1 0 323.309 -0.216 20 0 DBADRM Cn1cc(Cl)c(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])n1 ZINC001608113390 1019082082 /nfs/dbraw/zinc/08/20/82/1019082082.db2.gz FCSQOXDFXYYLLW-MRVPVSSYSA-N -1 0 314.729 -0.121 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)Nc2cccc(CC(=O)[O-])n2)cn1 ZINC001608110674 1019082931 /nfs/dbraw/zinc/08/29/31/1019082931.db2.gz LCIVDCXATBWZKN-NSHDSACASA-N -1 0 304.306 -0.016 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)C2)cn1 ZINC001608117972 1019082968 /nfs/dbraw/zinc/08/29/68/1019082968.db2.gz YUNUQIYLQZSETD-XEZLXBQYSA-N -1 0 319.365 -0.029 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])ccc1=O ZINC001608116940 1019083178 /nfs/dbraw/zinc/08/31/78/1019083178.db2.gz PFQIRYNOLVYIFL-SNVBAGLBSA-N -1 0 307.306 -0.211 20 0 DBADRM Cn1cc(CNC(=O)Nc2ccc(C(=O)[O-])cn2)c(=O)[nH]c1=O ZINC001608115368 1019083471 /nfs/dbraw/zinc/08/34/71/1019083471.db2.gz STGKUWUGRJTWDN-UHFFFAOYSA-N -1 0 319.277 -0.099 20 0 DBADRM Cn1cc(CNC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)cn1 ZINC001608111787 1019083567 /nfs/dbraw/zinc/08/35/67/1019083567.db2.gz MWTAHJBCKVIZJI-CYBMUJFWSA-N -1 0 307.310 -0.065 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC001608120620 1019083930 /nfs/dbraw/zinc/08/39/30/1019083930.db2.gz MVNKYKWCTQOSMC-UHFFFAOYSA-N -1 0 322.364 -0.859 20 0 DBADRM Cn1ccc(=O)c(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001608123317 1019084146 /nfs/dbraw/zinc/08/41/46/1019084146.db2.gz GUNDVSALWJZENI-ZJUUUORDSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1cc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)cc1C(=O)[O-] ZINC001608120964 1019084915 /nfs/dbraw/zinc/08/49/15/1019084915.db2.gz CGBDJTSZYDEROX-SNVBAGLBSA-N -1 0 324.337 -0.172 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cn1 ZINC001608120626 1019085169 /nfs/dbraw/zinc/08/51/69/1019085169.db2.gz NOQZQLCMZVCYPQ-JTQLQIEISA-N -1 0 303.340 -0.734 20 0 DBADRM Cn1cc(NC(=O)NCCNC(=O)c2ccn[nH]2)cc1C(=O)[O-] ZINC001608121027 1019085480 /nfs/dbraw/zinc/08/54/80/1019085480.db2.gz FMZFVUBHRVRBBO-UHFFFAOYSA-N -1 0 320.309 -0.002 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H](CCF)C(=O)[O-] ZINC001608122350 1019085729 /nfs/dbraw/zinc/08/57/29/1019085729.db2.gz RBXUCWKSEWTHEN-ZETCQYMHSA-N -1 0 307.303 -0.785 20 0 DBADRM Cn1ccc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)cc1=O ZINC001608123227 1019086026 /nfs/dbraw/zinc/08/60/26/1019086026.db2.gz FMCHJLJPZQMNKP-UHFFFAOYSA-N -1 0 317.305 -0.863 20 0 DBADRM Cn1ccc(NC(=O)CNC(=O)c2ccnc(C(=O)[O-])c2)n1 ZINC001608130063 1019086916 /nfs/dbraw/zinc/08/69/16/1019086916.db2.gz DPCKUDPPPDYLQQ-UHFFFAOYSA-N -1 0 303.278 -0.118 20 0 DBADRM Cn1ccnc(N2CCN(c3ncncc3C(=O)[O-])CC2)c1=O ZINC001608128556 1019087585 /nfs/dbraw/zinc/08/75/85/1019087585.db2.gz AXPVQGCFFPAYPY-UHFFFAOYSA-N -1 0 316.321 -0.405 20 0 DBADRM Cn1cccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1=O ZINC001608130449 1019087794 /nfs/dbraw/zinc/08/77/94/1019087794.db2.gz SPOJPYCQESLXSM-UHFFFAOYSA-N -1 0 303.278 -0.628 20 0 DBADRM Cn1ccc([C@@H](NS(=O)(=O)CCOCC2CC2)C(=O)[O-])n1 ZINC001608126882 1019088117 /nfs/dbraw/zinc/08/81/17/1019088117.db2.gz PVNGGTVPTCNTHU-LLVKDONJSA-N -1 0 317.367 -0.108 20 0 DBADRM Cn1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)cc1=O ZINC001608130068 1019088133 /nfs/dbraw/zinc/08/81/33/1019088133.db2.gz DZXSUWPCVDGDHP-SNVBAGLBSA-N -1 0 307.306 -0.353 20 0 DBADRM Cn1ccnc1C1(O)CN(C(=O)c2csc(C(=O)[O-])n2)C1 ZINC001608132710 1019088660 /nfs/dbraw/zinc/08/86/60/1019088660.db2.gz FRLJBMZVIUTKPK-UHFFFAOYSA-N -1 0 308.319 -0.082 20 0 DBADRM Cn1cnc(CCNC(=O)NCCC(=O)NCCC(=O)[O-])c1 ZINC001608135821 1019089719 /nfs/dbraw/zinc/08/97/19/1019089719.db2.gz SQIVEVWZEPJBTF-UHFFFAOYSA-N -1 0 311.342 -0.757 20 0 DBADRM Cn1cnn(CC(=O)Nc2cc(CCC(=O)[O-])ccc2O)c1=O ZINC001608137705 1019089791 /nfs/dbraw/zinc/08/97/91/1019089791.db2.gz ULBRJXSVYKZNAB-UHFFFAOYSA-N -1 0 320.305 -0.057 20 0 DBADRM Cn1cnnc1[C@@H]1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001608138292 1019089841 /nfs/dbraw/zinc/08/98/41/1019089841.db2.gz FMEIONATXOVIIG-SECBINFHSA-N -1 0 304.310 -0.274 20 0 DBADRM Cn1cncc1CCC(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001608136682 1019089934 /nfs/dbraw/zinc/08/99/34/1019089934.db2.gz FSTGIDPGOPVYLT-UHFFFAOYSA-N -1 0 318.337 -0.509 20 0 DBADRM Cn1cncc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608136533 1019089973 /nfs/dbraw/zinc/08/99/73/1019089973.db2.gz QGQJLDHBTLFIOW-ZJUUUORDSA-N -1 0 306.322 -0.671 20 0 DBADRM Cn1cncc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001608136530 1019090738 /nfs/dbraw/zinc/09/07/38/1019090738.db2.gz QGQJLDHBTLFIOW-NXEZZACHSA-N -1 0 306.322 -0.671 20 0 DBADRM Cn1cnc(CNC(=O)Nc2nc3n(c2C(=O)[O-])CCC3)n1 ZINC001608135660 1019090888 /nfs/dbraw/zinc/09/08/88/1019090888.db2.gz JSYGIUMIUSXXLD-UHFFFAOYSA-N -1 0 305.298 -0.022 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001608146766 1019092145 /nfs/dbraw/zinc/09/21/45/1019092145.db2.gz BQYBXUOYACOLSV-SNVBAGLBSA-N -1 0 308.338 -0.063 20 0 DBADRM Cn1nc(C(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])ccc1=O ZINC001608142145 1019092178 /nfs/dbraw/zinc/09/21/78/1019092178.db2.gz FVDDPRBRTBIXQD-LLVKDONJSA-N -1 0 316.317 -0.151 20 0 DBADRM Cn1nc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)ccc1=O ZINC001608140573 1019092700 /nfs/dbraw/zinc/09/27/00/1019092700.db2.gz UZBBLVLDSBGBRL-ZDUSSCGKSA-N -1 0 306.278 -0.774 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001608140521 1019092849 /nfs/dbraw/zinc/09/28/49/1019092849.db2.gz SNEJCLDKJPGBHB-UHFFFAOYSA-N -1 0 306.282 -0.536 20 0 DBADRM Cn1nc(C2CC2)nc1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001608147531 1019092865 /nfs/dbraw/zinc/09/28/65/1019092865.db2.gz VKHKGXNBZRQSIM-UHFFFAOYSA-N -1 0 309.326 -0.597 20 0 DBADRM Cn1nc(Br)cc1C(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001608139255 1019092884 /nfs/dbraw/zinc/09/28/84/1019092884.db2.gz DXQCTONDLMNASA-VIFPVBQESA-N -1 0 306.116 -0.252 20 0 DBADRM Cn1nc(C2CC2)cc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001608147139 1019092890 /nfs/dbraw/zinc/09/28/90/1019092890.db2.gz LPPVEPIFUALYFS-LBPRGKRZSA-N -1 0 315.351 -0.181 20 0 DBADRM Cn1cnnc1CCNC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001608139883 1019092918 /nfs/dbraw/zinc/09/29/18/1019092918.db2.gz XELGRZFQQVDCSL-UHFFFAOYSA-N -1 0 306.326 -0.151 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCC1CC(O)C1 ZINC001608154680 1019093827 /nfs/dbraw/zinc/09/38/27/1019093827.db2.gz FVDNBFGRHQXQHG-UHFFFAOYSA-N -1 0 310.310 -0.666 20 0 DBADRM Cn1ncc(Br)c1CC(=O)NCC[C@H](O)C(=O)[O-] ZINC001608153092 1019094497 /nfs/dbraw/zinc/09/44/97/1019094497.db2.gz GNLSMDTYAKTPOQ-QMMMGPOBSA-N -1 0 320.143 -0.323 20 0 DBADRM Cn1nc(NC(=O)NC2CCS(=O)(=O)CC2)cc1C(=O)[O-] ZINC001608150434 1019094863 /nfs/dbraw/zinc/09/48/63/1019094863.db2.gz NIZIMYFDWDGLTD-UHFFFAOYSA-N -1 0 316.339 -0.183 20 0 DBADRM Cn1ncc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1Cl ZINC001608153152 1019094942 /nfs/dbraw/zinc/09/49/42/1019094942.db2.gz DUEUYXXGUNNISU-MRVPVSSYSA-N -1 0 314.729 -0.121 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCC[C@]1(C)CO ZINC001608154591 1019095505 /nfs/dbraw/zinc/09/55/05/1019095505.db2.gz CRUJJJUKVOPAOD-CYBMUJFWSA-N -1 0 310.310 -0.570 20 0 DBADRM Cn1nccc1[C@H]1CN([C@H]2CCN(CCC(=O)[O-])C2=O)CCO1 ZINC001608164881 1019096261 /nfs/dbraw/zinc/09/62/61/1019096261.db2.gz AUDLFCFAAYFXSW-QWHCGFSZSA-N -1 0 322.365 -0.131 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CC1SC(=N)NC1=O)C(=O)[O-] ZINC001608162327 1019097193 /nfs/dbraw/zinc/09/71/93/1019097193.db2.gz ISWFXMBWZSVGRW-HTRCEHHLSA-N -1 0 311.323 -0.782 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])CC2 ZINC001608160970 1019098465 /nfs/dbraw/zinc/09/84/65/1019098465.db2.gz XRSOQIPNUFXWIA-KOLCDFICSA-N -1 0 318.337 -0.614 20 0 DBADRM Cn1nccc1[C@H](O)CNS(=O)(=O)c1occc1C(=O)[O-] ZINC001608164087 1019098656 /nfs/dbraw/zinc/09/86/56/1019098656.db2.gz BYKMPONODJJWRI-SECBINFHSA-N -1 0 315.307 -0.277 20 0 DBADRM Cn1ncc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001608158332 1019098730 /nfs/dbraw/zinc/09/87/30/1019098730.db2.gz ZZZVVGQEGKVBOR-RNJOBUHISA-N -1 0 319.365 -0.289 20 0 DBADRM Cn1nccc1[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)C(=O)[O-] ZINC001608162856 1019098866 /nfs/dbraw/zinc/09/88/66/1019098866.db2.gz LBSHXOQYVWPABZ-DOMZBBRYSA-N -1 0 318.333 -0.492 20 0 DBADRM Cn1nccc1NC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001608166604 1019099228 /nfs/dbraw/zinc/09/92/28/1019099228.db2.gz UTIBJRAIPPQSND-WRWORJQWSA-N -1 0 316.339 -0.571 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCSC[C@@H]1C(=O)[O-])CC2 ZINC001608166954 1019099942 /nfs/dbraw/zinc/09/99/42/1019099942.db2.gz CTQPLXYHQBXQSN-LDYMZIIASA-N -1 0 310.379 -0.051 20 0 DBADRM Cn1nnc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001608167049 1019100456 /nfs/dbraw/zinc/10/04/56/1019100456.db2.gz FQWBGVATJMKRNX-GWOFURMSSA-N -1 0 322.369 -0.552 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1CCSC[C@H]1C(=O)[O-])CC2 ZINC001608166953 1019100600 /nfs/dbraw/zinc/10/06/00/1019100600.db2.gz CTQPLXYHQBXQSN-KWQFWETISA-N -1 0 310.379 -0.051 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-])CC2 ZINC001608167914 1019101048 /nfs/dbraw/zinc/10/10/48/1019101048.db2.gz RPSPGMFPYJLIJS-JFUSQASVSA-N -1 0 308.338 -0.644 20 0 DBADRM Cn1nnc2ccc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])cc21 ZINC001608167273 1019102054 /nfs/dbraw/zinc/10/20/54/1019102054.db2.gz BLKALTPDZJGONI-LLVKDONJSA-N -1 0 317.305 -0.616 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)/C=C\c2cc(C(=O)[O-])co2)C1 ZINC001608168755 1019103203 /nfs/dbraw/zinc/10/32/03/1019103203.db2.gz ZUNUZSVFNIRHJL-IHWYPQMZSA-N -1 0 318.289 -0.151 20 0 DBADRM NC(=O)C1(C(=O)O[C@H]2CCCN(CCC(=O)[O-])C2=O)CCC1 ZINC001608228313 1019115341 /nfs/dbraw/zinc/11/53/41/1019115341.db2.gz KMOCNPIHAMRZIV-VIFPVBQESA-N -1 0 312.322 -0.349 20 0 DBADRM NC(=O)CC(=O)NCCN(c1ccnc(C(=O)[O-])n1)C1CC1 ZINC001608229079 1019115448 /nfs/dbraw/zinc/11/54/48/1019115448.db2.gz CCQORJNZLGSYAQ-UHFFFAOYSA-N -1 0 307.310 -0.865 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)C[C@H]1C(N)=O ZINC001608229229 1019115646 /nfs/dbraw/zinc/11/56/46/1019115646.db2.gz FESKLZROWRMCRO-DTORHVGOSA-N -1 0 323.280 -0.817 20 0 DBADRM NC(=O)C1(C(=O)N2CCC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)CC1 ZINC001608227762 1019115884 /nfs/dbraw/zinc/11/58/84/1019115884.db2.gz CZVQALNOXNDPJM-ZJUUUORDSA-N -1 0 323.349 -0.920 20 0 DBADRM NC(=O)CC(=O)N1CCC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001608229224 1019116340 /nfs/dbraw/zinc/11/63/40/1019116340.db2.gz DYZWWBQZYMCOQR-SECBINFHSA-N -1 0 307.310 -0.547 20 0 DBADRM NC(=O)[C@@H]1CN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CCO1 ZINC001608229636 1019117807 /nfs/dbraw/zinc/11/78/07/1019117807.db2.gz MYKUNFKTZJRULX-LPEHRKFASA-N -1 0 320.367 -0.854 20 0 DBADRM NC(=O)CC(=O)NCCC1(CNc2ncc(C(=O)[O-])cn2)CC1 ZINC001608229604 1019117892 /nfs/dbraw/zinc/11/78/92/1019117892.db2.gz LTMFHRDDSRWRFI-UHFFFAOYSA-N -1 0 321.337 -0.251 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2F)C[C@H]1C(N)=O ZINC001608229687 1019118520 /nfs/dbraw/zinc/11/85/20/1019118520.db2.gz OPWLTOOWOJTBPW-RKDXNWHRSA-N -1 0 323.280 -0.817 20 0 DBADRM NC(=O)[C@@H]1CN(S(=O)(=O)c2ccsc2C(=O)[O-])CCO1 ZINC001608230262 1019119679 /nfs/dbraw/zinc/11/96/79/1019119679.db2.gz UBLOZQJGOCBBQA-LURJTMIESA-N -1 0 320.348 -0.679 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)C[C@H]1C(N)=O ZINC001608229231 1019120141 /nfs/dbraw/zinc/12/01/41/1019120141.db2.gz FESKLZROWRMCRO-RKDXNWHRSA-N -1 0 323.280 -0.817 20 0 DBADRM NC(=O)C1(O)CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001608229379 1019120240 /nfs/dbraw/zinc/12/02/40/1019120240.db2.gz JOSCVNPIRLCLEP-UHFFFAOYSA-N -1 0 322.321 -0.970 20 0 DBADRM NC(=O)C[C@H]1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1 ZINC001608231929 1019121616 /nfs/dbraw/zinc/12/16/16/1019121616.db2.gz WWEQUKBKQRSEGT-NXEZZACHSA-N -1 0 311.338 -0.967 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001608232713 1019121843 /nfs/dbraw/zinc/12/18/43/1019121843.db2.gz YKQNZIVVXXHCHD-ZETCQYMHSA-N -1 0 306.278 -0.948 20 0 DBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001608233108 1019122655 /nfs/dbraw/zinc/12/26/55/1019122655.db2.gz VIPSBISAYKNKKP-JTQLQIEISA-N -1 0 323.305 -0.264 20 0 DBADRM NC(=O)CCn1ccc(N[C@H]2CCCN(CCC(=O)[O-])C2=O)n1 ZINC001608234878 1019122711 /nfs/dbraw/zinc/12/27/11/1019122711.db2.gz OHXUSSYDAKZCKW-JTQLQIEISA-N -1 0 323.353 -0.364 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001608233243 1019122752 /nfs/dbraw/zinc/12/27/52/1019122752.db2.gz XVBSOXFRULDABJ-BDAKNGLRSA-N -1 0 309.322 -0.280 20 0 DBADRM NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001608232974 1019123207 /nfs/dbraw/zinc/12/32/07/1019123207.db2.gz RUBPPNCMBFDUKB-JTQLQIEISA-N -1 0 313.335 -0.192 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)Cc2ccc(C(=O)[O-])nc2)CCO1 ZINC001608232459 1019123243 /nfs/dbraw/zinc/12/32/43/1019123243.db2.gz SWSDOANRFYZLEB-SNVBAGLBSA-N -1 0 307.306 -0.575 20 0 DBADRM NC(=O)C1(O)CN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001608231187 1019123523 /nfs/dbraw/zinc/12/35/23/1019123523.db2.gz ZVYOSKZGZYSVRF-WDEREUQCSA-N -1 0 319.317 -0.061 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nn2)CCO1 ZINC001608232640 1019123672 /nfs/dbraw/zinc/12/36/72/1019123672.db2.gz VZRPXANBZOHVNX-ZETCQYMHSA-N -1 0 309.282 -0.717 20 0 DBADRM NC(=O)CC1CC(NS(=O)(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001608232055 1019123789 /nfs/dbraw/zinc/12/37/89/1019123789.db2.gz ZBTPRCIKSVZTHR-UHFFFAOYSA-N -1 0 313.335 -0.288 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001608232711 1019123839 /nfs/dbraw/zinc/12/38/39/1019123839.db2.gz YKQNZIVVXXHCHD-SSDOTTSWSA-N -1 0 306.278 -0.948 20 0 DBADRM NC(=O)CSCC(=O)N[C@H](Cc1ccccc1O)C(=O)[O-] ZINC001608235630 1019125533 /nfs/dbraw/zinc/12/55/33/1019125533.db2.gz ATCJRMYLKMGWNE-SECBINFHSA-N -1 0 312.347 -0.277 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)C1 ZINC001608236708 1019125864 /nfs/dbraw/zinc/12/58/64/1019125864.db2.gz FOFJTMAHUFOCRP-HBNTYKKESA-N -1 0 313.354 -0.369 20 0 DBADRM NC(=O)Cn1cc(CNCc2ccc(CC(=O)[O-])cc2)nn1 ZINC001608237416 1019126032 /nfs/dbraw/zinc/12/60/32/1019126032.db2.gz YTKFMWNVTLNFOW-UHFFFAOYSA-N -1 0 303.322 -0.320 20 0 DBADRM NC(=O)COc1ccc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1 ZINC001608235458 1019127395 /nfs/dbraw/zinc/12/73/95/1019127395.db2.gz MNAKUIWLRPVMJF-CMPLNLGQSA-N -1 0 308.290 -0.477 20 0 DBADRM NC(=O)CSCC(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-] ZINC001608236329 1019127472 /nfs/dbraw/zinc/12/74/72/1019127472.db2.gz VZAHWWJYJZQQAE-SNVBAGLBSA-N -1 0 312.347 -0.147 20 0 DBADRM NC(=O)N1CC[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001608236930 1019127593 /nfs/dbraw/zinc/12/75/93/1019127593.db2.gz MGJQAKMOPAKHHC-ZETCQYMHSA-N -1 0 317.323 -0.343 20 0 DBADRM NC(=O)[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC001608241344 1019128885 /nfs/dbraw/zinc/12/88/85/1019128885.db2.gz WHXFQTGHMNUAQE-IZLXSQMJSA-N -1 0 304.349 -0.012 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)NC2(CC(=O)[O-])CCOCC2)O1 ZINC001608240175 1019129219 /nfs/dbraw/zinc/12/92/19/1019129219.db2.gz ORANSYPCIFTRDU-BDAKNGLRSA-N -1 0 300.311 -0.841 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1 ZINC001608240071 1019129983 /nfs/dbraw/zinc/12/99/83/1019129983.db2.gz NOYXQYCLPLFCIP-AEJSXWLSSA-N -1 0 311.338 -0.920 20 0 DBADRM NC(=O)Nc1ccc(C(=O)NCCC(=O)NCCC(=O)[O-])cc1 ZINC001608239073 1019130003 /nfs/dbraw/zinc/13/00/03/1019130003.db2.gz GNIJLOGFAANPGG-UHFFFAOYSA-N -1 0 322.321 -0.112 20 0 DBADRM NC(=O)N[C@H](CC(=O)OCC(=O)NCC(=O)[O-])c1ccccc1 ZINC001608238315 1019131073 /nfs/dbraw/zinc/13/10/73/1019131073.db2.gz POCYJSJBCVGBQT-SNVBAGLBSA-N -1 0 323.305 -0.470 20 0 DBADRM NC(=O)c1ccc(-c2nnn(CC(=O)CCC(=O)[O-])n2)cc1 ZINC001608239464 1019131363 /nfs/dbraw/zinc/13/13/63/1019131363.db2.gz NMLJPZDDSBVDLC-UHFFFAOYSA-N -1 0 303.278 -0.127 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC001608241346 1019131468 /nfs/dbraw/zinc/13/14/68/1019131468.db2.gz WHXFQTGHMNUAQE-OLQVQODUSA-N -1 0 304.349 -0.012 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001608244940 1019132335 /nfs/dbraw/zinc/13/23/35/1019132335.db2.gz DZFSRCYMKKZUGR-UHFFFAOYSA-N -1 0 321.333 -0.365 20 0 DBADRM NC(=O)c1cnc(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)s1 ZINC001608247195 1019132362 /nfs/dbraw/zinc/13/23/62/1019132362.db2.gz XYKLWNRDWZPEMW-ZCFIWIBFSA-N -1 0 314.323 -0.051 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cn1 ZINC001608244195 1019132530 /nfs/dbraw/zinc/13/25/30/1019132530.db2.gz KQKQEXWAQRMFKL-JZYVYDRUSA-N -1 0 304.306 -0.348 20 0 DBADRM NC(=O)c1ncc(NC(=O)NC[C@@]2(C(=O)[O-])CCOC2)s1 ZINC001608246441 1019132543 /nfs/dbraw/zinc/13/25/43/1019132543.db2.gz YZADJMRPQWFILO-NSHDSACASA-N -1 0 314.323 -0.145 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001608243185 1019132568 /nfs/dbraw/zinc/13/25/68/1019132568.db2.gz QVDLDHYKIAADTD-UWVGGRQHSA-N -1 0 307.306 -0.983 20 0 DBADRM NC(=O)c1coc(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC001608244718 1019133437 /nfs/dbraw/zinc/13/34/37/1019133437.db2.gz AMSLJFCXVLYCBY-JTQLQIEISA-N -1 0 311.294 -0.236 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001608245554 1019133827 /nfs/dbraw/zinc/13/38/27/1019133827.db2.gz UQJSLJRPDZVSCP-KOLCDFICSA-N -1 0 308.290 -0.789 20 0 DBADRM NC(=O)c1ccc(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1 ZINC001608244496 1019134003 /nfs/dbraw/zinc/13/40/03/1019134003.db2.gz FYBGYBOOVPBOBM-VXNVDRBHSA-N -1 0 308.294 -0.520 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001608246335 1019134608 /nfs/dbraw/zinc/13/46/08/1019134608.db2.gz QKOBMPBUJKSVQS-HNNXBMFYSA-N -1 0 321.333 -0.053 20 0 DBADRM NC(=O)c1ccc(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001608244495 1019134874 /nfs/dbraw/zinc/13/48/74/1019134874.db2.gz FYBGYBOOVPBOBM-IONNQARKSA-N -1 0 308.294 -0.520 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@H](C(=O)[O-])c2cccnc2)S1 ZINC001608251113 1019137496 /nfs/dbraw/zinc/13/74/96/1019137496.db2.gz QNUXYDVIXSBJHG-CBAPKCEASA-N -1 0 308.319 -0.120 20 0 DBADRM NC(=O)c1ncn(CC(=O)NCc2ccc(CC(=O)[O-])cc2)n1 ZINC001608248349 1019138345 /nfs/dbraw/zinc/13/83/45/1019138345.db2.gz PAQGLIOXDDUGGR-UHFFFAOYSA-N -1 0 317.305 -0.680 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001608258503 1019139578 /nfs/dbraw/zinc/13/95/78/1019139578.db2.gz KAVCKCBHNBYMEN-VIFPVBQESA-N -1 0 313.335 -0.327 20 0 DBADRM NS(=O)(=O)CCCC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001608259812 1019140078 /nfs/dbraw/zinc/14/00/78/1019140078.db2.gz UEUVPQYLPBGAPB-VIFPVBQESA-N -1 0 304.368 -0.232 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001608260082 1019140637 /nfs/dbraw/zinc/14/06/37/1019140637.db2.gz AYRDMSKPBDIWBB-NSHDSACASA-N -1 0 324.424 -0.088 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001608259406 1019142032 /nfs/dbraw/zinc/14/20/32/1019142032.db2.gz KIVLQEUDQJPMQX-LLVKDONJSA-N -1 0 308.356 -0.805 20 0 DBADRM NS(=O)(=O)CCOCCNC(=O)c1ccsc1C(=O)[O-] ZINC001608260110 1019142070 /nfs/dbraw/zinc/14/20/70/1019142070.db2.gz CQNLCXAFWQRTJQ-UHFFFAOYSA-N -1 0 322.364 -0.519 20 0 DBADRM NS(=O)(=O)c1ccc(CN2CCC[C@H](O)[C@H]2C(=O)[O-])s1 ZINC001608263493 1019143390 /nfs/dbraw/zinc/14/33/90/1019143390.db2.gz SSMGHDHPDSSJCG-WPRPVWTQSA-N -1 0 320.392 -0.195 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)O[C@H](C(=O)[O-])C2CC2)C1 ZINC001608261068 1019144096 /nfs/dbraw/zinc/14/40/96/1019144096.db2.gz KLHOEJVFRZAPPR-BDAKNGLRSA-N -1 0 306.340 -0.692 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H](CC(F)F)C(=O)[O-])ccn1 ZINC001608260945 1019145178 /nfs/dbraw/zinc/14/51/78/1019145178.db2.gz DHJBWTCLTLPRBW-ZCFIWIBFSA-N -1 0 323.277 -0.433 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])co1 ZINC001608261831 1019145383 /nfs/dbraw/zinc/14/53/83/1019145383.db2.gz YPXSCQRYKPDNFW-ZCFIWIBFSA-N -1 0 324.261 -0.139 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])o1 ZINC001608261236 1019145556 /nfs/dbraw/zinc/14/55/56/1019145556.db2.gz DKMKEEGMXQLEEB-RXMQYKEDSA-N -1 0 324.261 -0.139 20 0 DBADRM Nc1ncc(S(=O)(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cn1 ZINC001608277077 1019147571 /nfs/dbraw/zinc/14/75/71/1019147571.db2.gz TVONPYUWNIEPOY-IONNQARKSA-N -1 0 300.340 -0.020 20 0 DBADRM Nc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1 ZINC001608273311 1019149720 /nfs/dbraw/zinc/14/97/20/1019149720.db2.gz KBIBDURLVIEPKH-PSASIEDQSA-N -1 0 300.336 -0.275 20 0 DBADRM O=C(/C=C/[C@H]1CCOC1)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001608282509 1019150912 /nfs/dbraw/zinc/15/09/12/1019150912.db2.gz XJKCZPCXKMBPRA-YOLVWIGZSA-N -1 0 317.363 -0.273 20 0 DBADRM O=C(/C=C\COC1CCOCC1)NCCn1cc(C(=O)[O-])nn1 ZINC001608282473 1019150927 /nfs/dbraw/zinc/15/09/27/1019150927.db2.gz WBJMILVSTITWFP-UPHRSURJSA-N -1 0 324.337 -0.156 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)C[C@H]1CCC2(CCOCC2)CO1 ZINC001608294389 1019152394 /nfs/dbraw/zinc/15/23/94/1019152394.db2.gz RQXWPUVBUXQMIC-MNOVXSKESA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)C[C@H]2CCCC(=O)N2)n1 ZINC001608293678 1019152679 /nfs/dbraw/zinc/15/26/79/1019152679.db2.gz IBZUIXCQMHRUPA-SECBINFHSA-N -1 0 321.337 -0.816 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)/C=C\c1cncc(O)c1 ZINC001608289133 1019153027 /nfs/dbraw/zinc/15/30/27/1019153027.db2.gz QXJPSQWTMYAMGA-RFMOXSJOSA-N -1 0 303.278 -0.339 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)CCC2CC2)C1 ZINC001608300079 1019155240 /nfs/dbraw/zinc/15/52/40/1019155240.db2.gz FYBWZSRVVOFGCW-MNOVXSKESA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)C[C@@H]2COC(=O)C2)n1 ZINC001608296375 1019155602 /nfs/dbraw/zinc/15/56/02/1019155602.db2.gz ISEQKSYLVJLQLR-QMMMGPOBSA-N -1 0 308.294 -0.922 20 0 DBADRM O=C([O-])c1ncoc1CNC(=O)CCCN1C(=O)CNC1=O ZINC001608304663 1019156428 /nfs/dbraw/zinc/15/64/28/1019156428.db2.gz SKZWHBGOAQGHLS-UHFFFAOYSA-N -1 0 310.266 -0.679 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001608304261 1019156474 /nfs/dbraw/zinc/15/64/74/1019156474.db2.gz HWMGYVYEQSWRET-SNVBAGLBSA-N -1 0 311.338 -0.065 20 0 DBADRM O=C(CCN1CCOC1=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001608309100 1019156620 /nfs/dbraw/zinc/15/66/20/1019156620.db2.gz HZJCMNMRHBKUIP-UWVGGRQHSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C(CN1C(=O)CNC1=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001608325833 1019158332 /nfs/dbraw/zinc/15/83/32/1019158332.db2.gz AFCCIVMONRTNCX-JTQLQIEISA-N -1 0 311.338 -0.065 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)CCc2cn[nH]n2)CC1 ZINC001608317390 1019158465 /nfs/dbraw/zinc/15/84/65/1019158465.db2.gz WWOMKTTVRYRCHI-VHSXEESVSA-N -1 0 321.337 -0.777 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)NCCn1cnccc1=O ZINC001608321981 1019158872 /nfs/dbraw/zinc/15/88/72/1019158872.db2.gz LGFQLTYMMYJUCM-UHFFFAOYSA-N -1 0 306.278 -0.322 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001608323979 1019159164 /nfs/dbraw/zinc/15/91/64/1019159164.db2.gz FTTGMYXDZGLRMP-RGOKHQFPSA-N -1 0 307.306 -0.848 20 0 DBADRM O=C([O-])c1ccccc1CCC(=O)NCCN1C(=O)CNC1=O ZINC001608318449 1019160469 /nfs/dbraw/zinc/16/04/69/1019160469.db2.gz QKCPTOZNIFKQCQ-UHFFFAOYSA-N -1 0 319.317 -0.015 20 0 DBADRM O=C(CN1CCC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1)NC1CC1 ZINC001608326960 1019161678 /nfs/dbraw/zinc/16/16/78/1019161678.db2.gz IIMSAJFHFHPVEQ-NWDGAFQWSA-N -1 0 309.366 -0.434 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CCC(CO)(CO)CC2)n1 ZINC001608327674 1019162436 /nfs/dbraw/zinc/16/24/36/1019162436.db2.gz RYOMBIPEPJQVFG-UHFFFAOYSA-N -1 0 323.349 -0.215 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CN1C(=O)CCC1=O ZINC001608326574 1019162806 /nfs/dbraw/zinc/16/28/06/1019162806.db2.gz UAMOIQYQSNOLHK-NSHDSACASA-N -1 0 304.302 -0.053 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(CC(=O)Nc2ccon2)CC1 ZINC001608330181 1019162878 /nfs/dbraw/zinc/16/28/78/1019162878.db2.gz GGOYAMMBVWLIRO-UWVGGRQHSA-N -1 0 322.321 -0.522 20 0 DBADRM O=C(CN1C(=O)CCC1=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001608326436 1019162907 /nfs/dbraw/zinc/16/29/07/1019162907.db2.gz OOWKHFFFKNXXLV-VOZQYIJBSA-N -1 0 324.333 -0.336 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001608331773 1019163452 /nfs/dbraw/zinc/16/34/52/1019163452.db2.gz WZCLIBXTOGMSJF-MRVPVSSYSA-N -1 0 308.331 -0.517 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1O)NC(=O)CN1CCOCC1 ZINC001608333286 1019163541 /nfs/dbraw/zinc/16/35/41/1019163541.db2.gz APEGQYXZBGXZEI-LBPRGKRZSA-N -1 0 308.334 -0.164 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CN1CCOC1=O)Cc1ccncc1 ZINC001608334066 1019163858 /nfs/dbraw/zinc/16/38/58/1019163858.db2.gz WKIRWTZOJAKNBY-NSHDSACASA-N -1 0 307.306 -0.107 20 0 DBADRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)CN1CCS(=O)(=O)CC1 ZINC001608335350 1019164049 /nfs/dbraw/zinc/16/40/49/1019164049.db2.gz BUIVPOFOJTXXNQ-MFKMUULPSA-N -1 0 316.379 -0.818 20 0 DBADRM O=C([O-])c1ccc(C(=O)COC(=O)CN2CCOCC2=O)cc1 ZINC001608335936 1019164369 /nfs/dbraw/zinc/16/43/69/1019164369.db2.gz KAHTUGDIQAMHSB-UHFFFAOYSA-N -1 0 321.285 -0.031 20 0 DBADRM O=C(CN1CCSC1=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001608335781 1019164390 /nfs/dbraw/zinc/16/43/90/1019164390.db2.gz ICNNSVCIMDVJKP-SSDOTTSWSA-N -1 0 304.324 -0.512 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CCN3C(=O)NC[C@H]3C2)n1 ZINC001608334152 1019164988 /nfs/dbraw/zinc/16/49/88/1019164988.db2.gz YJVRSPZNCFWXQS-VIFPVBQESA-N -1 0 319.321 -0.572 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCC(=O)OCC1CC1 ZINC001608341933 1019165554 /nfs/dbraw/zinc/16/55/54/1019165554.db2.gz LYPBEYZFIHCAQR-UHFFFAOYSA-N -1 0 303.296 -0.661 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)CNC(=O)c2ccncc2)CCSC1 ZINC001608338960 1019165758 /nfs/dbraw/zinc/16/57/58/1019165758.db2.gz VGNRGFLQAIVMRI-CYBMUJFWSA-N -1 0 309.347 -0.112 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N[C@H]1CCCCNC1=O ZINC001608348364 1019165976 /nfs/dbraw/zinc/16/59/76/1019165976.db2.gz MVZSVLNLRPZQRS-QMMMGPOBSA-N -1 0 311.294 -0.326 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NC[C@H](O)[C@@H]1CCCO1 ZINC001608348515 1019166092 /nfs/dbraw/zinc/16/60/92/1019166092.db2.gz SQGFVROOTMDHBR-IUCAKERBSA-N -1 0 314.294 -0.455 20 0 DBADRM O=C([O-])C1(NC(=O)CNC(=O)c2ccccc2)CC(CO)C1 ZINC001608338766 1019166145 /nfs/dbraw/zinc/16/61/45/1019166145.db2.gz TWFPBBDTKRXXSA-UHFFFAOYSA-N -1 0 306.318 -0.242 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)COCC(F)F)CC1 ZINC001608347957 1019166235 /nfs/dbraw/zinc/16/62/35/1019166235.db2.gz UMQLZQWEZSYPBT-JGVFFNPUSA-N -1 0 320.292 -0.246 20 0 DBADRM O=C([O-])c1cnc(NCCNC(=O)CO[C@H]2CCOC2)nc1 ZINC001608347317 1019166638 /nfs/dbraw/zinc/16/66/38/1019166638.db2.gz MVZXZGYNEFCZHJ-JTQLQIEISA-N -1 0 310.310 -0.492 20 0 DBADRM O=C([O-])[C@H](NC(=O)CC1C(=O)N=CNC1=O)c1cccnc1 ZINC001608357764 1019169354 /nfs/dbraw/zinc/16/93/54/1019169354.db2.gz WCUNQIDPWSRHIE-SNVBAGLBSA-N -1 0 304.262 -0.233 20 0 DBADRM O=C([O-])c1cccc(CC(=O)NCCN2CCNC(=O)C2)c1 ZINC001608364184 1019169541 /nfs/dbraw/zinc/16/95/41/1019169541.db2.gz DRRTVFRTWQISPV-UHFFFAOYSA-N -1 0 305.334 -0.525 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NCCN2CCNC(=O)C2)cc1 ZINC001608360191 1019169814 /nfs/dbraw/zinc/16/98/14/1019169814.db2.gz ZPBBKEHODQLTSC-UHFFFAOYSA-N -1 0 305.334 -0.525 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccon1 ZINC001608368889 1019170136 /nfs/dbraw/zinc/17/01/36/1019170136.db2.gz DRQQXOMBTSLSJH-YFVNTRNASA-N -1 0 319.317 -0.489 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Cc2cnn(-c3ccccc3)n2)C1 ZINC001608369983 1019170503 /nfs/dbraw/zinc/17/05/03/1019170503.db2.gz QHJUZQWBWPXPSL-UHFFFAOYSA-N -1 0 302.290 -0.532 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)Cc2ncc[nH]2)n1 ZINC001608371876 1019172580 /nfs/dbraw/zinc/17/25/80/1019172580.db2.gz WXAYCILROAQNHD-UHFFFAOYSA-N -1 0 304.310 -0.519 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N[C@H](CO)Cc2ccncc2)c1 ZINC001608375396 1019172726 /nfs/dbraw/zinc/17/27/26/1019172726.db2.gz ULEOJOJECAHXCY-LBPRGKRZSA-N -1 0 304.306 -0.304 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 ZINC001608373194 1019173129 /nfs/dbraw/zinc/17/31/29/1019173129.db2.gz HIQJTNLFVYVCRE-CQSZACIVSA-N -1 0 305.290 -0.210 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)Cn1c(=O)cnc2ccccc21 ZINC001608372792 1019173369 /nfs/dbraw/zinc/17/33/69/1019173369.db2.gz MLSORJCJTYIFQO-NSHDSACASA-N -1 0 305.290 -0.652 20 0 DBADRM O=C([O-])[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccsc1 ZINC001608377131 1019174644 /nfs/dbraw/zinc/17/46/44/1019174644.db2.gz NHAPKHWSDCGZLI-JTQLQIEISA-N -1 0 309.303 -0.048 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)Cn1cc(Cl)cn1 ZINC001608376995 1019175112 /nfs/dbraw/zinc/17/51/12/1019175112.db2.gz GDAGAHZYGQFBNK-QMMMGPOBSA-N -1 0 303.702 -0.131 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(NC(=O)Cn2nccn2)CCC1 ZINC001608381448 1019176411 /nfs/dbraw/zinc/17/64/11/1019176411.db2.gz LDGRRICYWMZVJH-ZJUUUORDSA-N -1 0 321.337 -0.846 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCCC2)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001608382643 1019176733 /nfs/dbraw/zinc/17/67/33/1019176733.db2.gz GQAYWQSBODEHAU-NXEZZACHSA-N -1 0 308.338 -0.392 20 0 DBADRM O=C(Cn1nnc2c1CCCC2)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001608381294 1019176840 /nfs/dbraw/zinc/17/68/40/1019176840.db2.gz HXGLICHGGJJNRP-SNVBAGLBSA-N -1 0 324.337 -0.511 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001608401531 1019178320 /nfs/dbraw/zinc/17/83/20/1019178320.db2.gz CSHRIOYKYZGCOU-SECBINFHSA-N -1 0 318.293 -0.466 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001608396704 1019179399 /nfs/dbraw/zinc/17/93/99/1019179399.db2.gz OPVCJEMOCHIHRT-KCJUWKMLSA-N -1 0 309.322 -0.153 20 0 DBADRM O=C([O-])C1(NC(=O)C2CCS(=O)(=O)CC2)CCOCC1 ZINC001608405226 1019179467 /nfs/dbraw/zinc/17/94/67/1019179467.db2.gz PJIKNZUNRKLROB-UHFFFAOYSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])C1(NC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)CC(CO)C1 ZINC001608401737 1019180108 /nfs/dbraw/zinc/18/01/08/1019180108.db2.gz MYEKHCFLTUEDMI-DOIWLDLMSA-N -1 0 311.334 -0.430 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC2CC(F)(F)C2)C1 ZINC001608407278 1019181434 /nfs/dbraw/zinc/18/14/34/1019181434.db2.gz VSGDJQOHTUZNIC-HTRCEHHLSA-N -1 0 306.265 -0.806 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC001608411425 1019181515 /nfs/dbraw/zinc/18/15/15/1019181515.db2.gz YDSMZGLTCFLLAI-NXEZZACHSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC001608411426 1019182154 /nfs/dbraw/zinc/18/21/54/1019182154.db2.gz YDSMZGLTCFLLAI-UWVGGRQHSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C(=O)N[C@H]3CC34CCC4)C[C@H]1COCC2 ZINC001608408299 1019182310 /nfs/dbraw/zinc/18/23/10/1019182310.db2.gz XSJGCOFPEYQTCC-XMZIXOGTSA-N -1 0 322.361 -0.005 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC001608407858 1019182790 /nfs/dbraw/zinc/18/27/90/1019182790.db2.gz GLXKZVNITNERDF-SNVBAGLBSA-N -1 0 323.349 -0.811 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC2CC(F)(F)C2)C1 ZINC001608407280 1019183149 /nfs/dbraw/zinc/18/31/49/1019183149.db2.gz VSGDJQOHTUZNIC-SVRRBLITSA-N -1 0 306.265 -0.806 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@H](O)[C@H]2CCCO2)n1 ZINC001608425110 1019184548 /nfs/dbraw/zinc/18/45/48/1019184548.db2.gz SCRXFAOYZJCWIN-VHSXEESVSA-N -1 0 323.305 -0.626 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CCOC1 ZINC001608416035 1019185328 /nfs/dbraw/zinc/18/53/28/1019185328.db2.gz MHIPARGYSGUXQX-UMNHJUIQSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)NC[C@@]1(O)CCOC1 ZINC001608429501 1019185510 /nfs/dbraw/zinc/18/55/10/1019185510.db2.gz CLQWUSFHNFLVHG-LBPRGKRZSA-N -1 0 314.319 -0.348 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCOC1 ZINC001608415287 1019186009 /nfs/dbraw/zinc/18/60/09/1019186009.db2.gz FNSKZRPCMQHYIS-VWYCJHECSA-N -1 0 319.379 -0.335 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NC[C@H]2COCCO2)cc1 ZINC001608439442 1019188190 /nfs/dbraw/zinc/18/81/90/1019188190.db2.gz MYZSSUWHXICROV-NSHDSACASA-N -1 0 308.290 -0.145 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NCC2CCC(F)CC2)C1 ZINC001608436635 1019188982 /nfs/dbraw/zinc/18/89/82/1019188982.db2.gz XSNPDGLPGHIBMX-UHFFFAOYSA-N -1 0 302.302 -0.711 20 0 DBADRM O=C(NC[C@@H]1CCCS(=O)(=O)C1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001608434868 1019189062 /nfs/dbraw/zinc/18/90/62/1019189062.db2.gz PIBSKTONJYCZSM-LPEHRKFASA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])c1cc(C(=O)NCC2CCS(=O)(=O)CC2)no1 ZINC001608438778 1019189323 /nfs/dbraw/zinc/18/93/23/1019189323.db2.gz NHQQTTGQIXFBGE-UHFFFAOYSA-N -1 0 302.308 -0.073 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2n[nH]cc2F)C1 ZINC001608438055 1019189505 /nfs/dbraw/zinc/18/95/05/1019189505.db2.gz GJANIFGZQKNOAK-YUMQZZPRSA-N -1 0 310.285 -0.542 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCCCO)c2ccccc2O1 ZINC001608443624 1019190552 /nfs/dbraw/zinc/19/05/52/1019190552.db2.gz RKTHIRKVAKBNFS-LBPRGKRZSA-N -1 0 322.317 -0.246 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@H]2CCc3c[nH]nc3C2)nn1 ZINC001608456045 1019190723 /nfs/dbraw/zinc/19/07/23/1019190723.db2.gz KIFIFTZJKOMWGV-VIFPVBQESA-N -1 0 319.325 -0.444 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCCc2ccco2)C1 ZINC001608454523 1019190779 /nfs/dbraw/zinc/19/07/79/1019190779.db2.gz KPRUNIWQTVJPLT-VHSXEESVSA-N -1 0 310.306 -0.768 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCCOCCO)cc1 ZINC001608444022 1019190905 /nfs/dbraw/zinc/19/09/05/1019190905.db2.gz GHMCOFKXPXZIDH-UHFFFAOYSA-N -1 0 310.306 -0.162 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)c2cc[nH]c(=O)c2)n1 ZINC001608448108 1019190930 /nfs/dbraw/zinc/19/09/30/1019190930.db2.gz KZRZJDZIYGTGJH-UHFFFAOYSA-N -1 0 303.278 -0.461 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)c1ccc2c(c1)C(=O)NCCO2 ZINC001608451176 1019191046 /nfs/dbraw/zinc/19/10/46/1019191046.db2.gz WHSLBXXFYJFYJG-JTQLQIEISA-N -1 0 308.290 -0.626 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC[C@H](O)[C@H](CO)C2)CCC1 ZINC001608570164 1019204136 /nfs/dbraw/zinc/20/41/36/1019204136.db2.gz FTKCQAMPDYIUBR-UWVGGRQHSA-N -1 0 307.368 -0.754 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@@H]2CCc3c[nH]nc3C2)nn1 ZINC001608456044 1019191629 /nfs/dbraw/zinc/19/16/29/1019191629.db2.gz KIFIFTZJKOMWGV-SECBINFHSA-N -1 0 319.325 -0.444 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCC(CCCO)CC1 ZINC001608460252 1019192210 /nfs/dbraw/zinc/19/22/10/1019192210.db2.gz FJAPPQOFAUIQEB-VXGBXAGGSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC001608457248 1019193226 /nfs/dbraw/zinc/19/32/26/1019193226.db2.gz INTVSVSIAOQYEN-VWYCJHECSA-N -1 0 316.329 -0.057 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCS(=O)(=O)CC1 ZINC001608458593 1019193254 /nfs/dbraw/zinc/19/32/54/1019193254.db2.gz UXHCZTGQCCNWAP-NXEZZACHSA-N -1 0 305.352 -0.583 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC001608457630 1019193270 /nfs/dbraw/zinc/19/32/70/1019193270.db2.gz NSPFJPNBPMMQLZ-CDUCUWFYSA-N -1 0 316.207 -0.949 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C2=CCS(=O)(=O)C2)CC1 ZINC001608553562 1019205227 /nfs/dbraw/zinc/20/52/27/1019205227.db2.gz JDPWRASXVMTMLJ-SNVBAGLBSA-N -1 0 303.336 -0.975 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1C[C@H](O)CC(F)(F)C1 ZINC001608461036 1019194211 /nfs/dbraw/zinc/19/42/11/1019194211.db2.gz QYOMLNGVJWRPJH-BWZBUEFSSA-N -1 0 306.265 -0.948 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)c1cccnc1OCCO ZINC001608460782 1019194256 /nfs/dbraw/zinc/19/42/56/1019194256.db2.gz QXRYHEZRIXIEOI-MWLCHTKSSA-N -1 0 310.306 -0.328 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001608491659 1019196250 /nfs/dbraw/zinc/19/62/50/1019196250.db2.gz LZNWQVGDJLLXAQ-UYXSQOIJSA-N -1 0 320.305 -0.720 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)C3=COCCO3)C2)nc1 ZINC001608487851 1019196359 /nfs/dbraw/zinc/19/63/59/1019196359.db2.gz UKJMMBMIOKQPST-SNVBAGLBSA-N -1 0 320.305 -0.242 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001608487401 1019196436 /nfs/dbraw/zinc/19/64/36/1019196436.db2.gz UVMZJCKXFXJDCW-BXKDBHETSA-N -1 0 303.322 -0.019 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)C1(O)CCSCC1 ZINC001608536735 1019199696 /nfs/dbraw/zinc/19/96/96/1019199696.db2.gz QVOOHKSUFQOLOX-VIFPVBQESA-N -1 0 319.379 -0.033 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)[C@@H]1CCCNC1=O ZINC001608537006 1019199882 /nfs/dbraw/zinc/19/98/82/1019199882.db2.gz SHYGCDVPPGXEER-BDAKNGLRSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])[C@@H](CC(F)F)NC(=O)C1(n2cnnn2)CCOCC1 ZINC001608530569 1019200040 /nfs/dbraw/zinc/20/00/40/1019200040.db2.gz YPVLKNQVESTQNY-SSDOTTSWSA-N -1 0 319.268 -0.597 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001608536375 1019200237 /nfs/dbraw/zinc/20/02/37/1019200237.db2.gz NZKMGUZGVWEQKE-APPZFPTMSA-N -1 0 310.310 -0.443 20 0 DBADRM O=C([O-])[C@H](CNS(=O)(=O)C1COC1)Oc1ccc(F)cc1 ZINC001608538313 1019201063 /nfs/dbraw/zinc/20/10/63/1019201063.db2.gz IUZOUSOJZQSCMV-NSHDSACASA-N -1 0 319.310 -0.024 20 0 DBADRM O=C([O-])C(=O)CCCOC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001608528552 1019202047 /nfs/dbraw/zinc/20/20/47/1019202047.db2.gz IHJGPYNQYFRXAQ-SECBINFHSA-N -1 0 311.294 -0.095 20 0 DBADRM O=C([O-])[C@@H](CCF)NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001608533860 1019202410 /nfs/dbraw/zinc/20/24/10/1019202410.db2.gz CRFHQZQECINUIO-ZYCKWHBGSA-N -1 0 301.270 -0.364 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C1CC1 ZINC001608552694 1019203969 /nfs/dbraw/zinc/20/39/69/1019203969.db2.gz LLRCFTUVDLJEIK-JTQLQIEISA-N -1 0 320.367 -0.477 20 0 DBADRM O=C([O-])[C@H](c1ccsc1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001608562838 1019204983 /nfs/dbraw/zinc/20/49/83/1019204983.db2.gz RMYIAPHRSXRSAT-UWVGGRQHSA-N -1 0 317.392 -0.292 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)CCN2CCOCC2)CC1 ZINC001608554511 1019205121 /nfs/dbraw/zinc/20/51/21/1019205121.db2.gz QNWDYXLCFQYZIY-CYBMUJFWSA-N -1 0 300.355 -0.607 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)NCCCn2ccnn2)CC1 ZINC001608555578 1019205150 /nfs/dbraw/zinc/20/51/50/1019205150.db2.gz QQJLHUCPJAZHSP-LLVKDONJSA-N -1 0 311.342 -0.465 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C2(CO)CCOCC2)CC1 ZINC001608554466 1019205165 /nfs/dbraw/zinc/20/51/65/1019205165.db2.gz QHMPLTHSBUHVRG-NSHDSACASA-N -1 0 301.339 -0.540 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC001608552639 1019205241 /nfs/dbraw/zinc/20/52/41/1019205241.db2.gz DKWFHOYLZMKROU-ZWNOBZJWSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(S(=O)(=O)C[C@H]2CCCOC2)CC1 ZINC001608559030 1019205300 /nfs/dbraw/zinc/20/53/00/1019205300.db2.gz YRHUTQSRRZVUJT-CMPLNLGQSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCC[C@@](O)(CO)C2)CCC1 ZINC001608570081 1019205455 /nfs/dbraw/zinc/20/54/55/1019205455.db2.gz DBJAXZHEOUWOOE-LBPRGKRZSA-N -1 0 307.368 -0.610 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2ccnn2C2CCC2)C1 ZINC001608579621 1019206783 /nfs/dbraw/zinc/20/67/83/1019206783.db2.gz ZPYWHQYVWNSUQR-GFCCVEGCSA-N -1 0 315.351 -0.182 20 0 DBADRM O=C([O-])C1(O)CN(c2cc(N3CCC[C@H](CO)C3)ncn2)C1 ZINC001608580041 1019207590 /nfs/dbraw/zinc/20/75/90/1019207590.db2.gz XHDBTDGJPTVLNP-JTQLQIEISA-N -1 0 308.338 -0.679 20 0 DBADRM O=C([O-])C12CC(C(=O)N3CCC4(CC3)C[C@H](O)CNC4=O)(C1)C2 ZINC001608580772 1019207649 /nfs/dbraw/zinc/20/76/49/1019207649.db2.gz MHSUMMMYPCXOCM-CXPKIZLGSA-N -1 0 322.361 -0.269 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCC[C@]2(O)CCCOC2)CCC1 ZINC001608580269 1019208058 /nfs/dbraw/zinc/20/80/58/1019208058.db2.gz DBDXGDHGJLEIFW-LLVKDONJSA-N -1 0 307.368 -0.155 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)N=S2(=O)CCCC2)C1 ZINC001608578895 1019208270 /nfs/dbraw/zinc/20/82/70/1019208270.db2.gz OVVODZDINSVHKY-VIFPVBQESA-N -1 0 312.369 -0.986 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@H](O)C2CCOCC2)CC1 ZINC001608573373 1019208572 /nfs/dbraw/zinc/20/85/72/1019208572.db2.gz HVNSZXBUHYJXPL-JTQLQIEISA-N -1 0 307.368 -0.442 20 0 DBADRM O=C([O-])C1(O)CN(c2cc(N3CCCC[C@H]3CO)ncn2)C1 ZINC001608579383 1019208704 /nfs/dbraw/zinc/20/87/04/1019208704.db2.gz JAJHZBRKWALSRH-JTQLQIEISA-N -1 0 308.338 -0.537 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCC2(O)CCOCC2)CC1 ZINC001608573016 1019209044 /nfs/dbraw/zinc/20/90/44/1019209044.db2.gz AENQDMYMCORFQV-UHFFFAOYSA-N -1 0 307.368 -0.298 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H]2CCCS2(=O)=O)CC1 ZINC001608573339 1019209565 /nfs/dbraw/zinc/20/95/65/1019209565.db2.gz HHBYCBQBTMYFDS-QMMMGPOBSA-N -1 0 311.381 -0.652 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](CCF)C2)C1 ZINC001608587963 1019211144 /nfs/dbraw/zinc/21/11/44/1019211144.db2.gz XYPREOVBSSZSQG-MNOVXSKESA-N -1 0 314.313 -0.137 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)NCCn3ccnc3)C2)C1 ZINC001608588288 1019211741 /nfs/dbraw/zinc/21/17/41/1019211741.db2.gz CGFKPQORHLPQKY-ZDUSSCGKSA-N -1 0 307.310 -0.102 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1cncc(-n2ccnn2)c1 ZINC001608594393 1019212180 /nfs/dbraw/zinc/21/21/80/1019212180.db2.gz FWVGKHRBMDQMOI-NEPJUHHUSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)CSc1cccc[n+]1[O-] ZINC001608594543 1019212242 /nfs/dbraw/zinc/21/22/42/1019212242.db2.gz FCVCHFLNLOJMGQ-JOYOIKCWSA-N -1 0 312.347 -0.151 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)CN1CCN(C2CC2)C1=O ZINC001608594520 1019212362 /nfs/dbraw/zinc/21/23/62/1019212362.db2.gz DPWZOKJQFSFYGD-ZYHUDNBSSA-N -1 0 311.338 -0.677 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)[C@@H](O)c3ccccn3)C2)C1 ZINC001608590818 1019212905 /nfs/dbraw/zinc/21/29/05/1019212905.db2.gz GIHAKTQOCJPIAU-SMDDNHRTSA-N -1 0 305.290 -0.053 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)CN1CCN(C2CC2)C1=O ZINC001608594517 1019213113 /nfs/dbraw/zinc/21/31/13/1019213113.db2.gz DPWZOKJQFSFYGD-CMPLNLGQSA-N -1 0 311.338 -0.677 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)CN1CCN(C2CC2)C1=O ZINC001608594519 1019213269 /nfs/dbraw/zinc/21/32/69/1019213269.db2.gz DPWZOKJQFSFYGD-PWSUYJOCSA-N -1 0 311.338 -0.677 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1 ZINC001608586982 1019213287 /nfs/dbraw/zinc/21/32/87/1019213287.db2.gz OFIJBSAFDHDWFX-AXFHLTTASA-N -1 0 314.363 -0.154 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)CCCn3cncn3)C2)C1 ZINC001608590033 1019213418 /nfs/dbraw/zinc/21/34/18/1019213418.db2.gz UAGXQCJYCRQHDM-CYBMUJFWSA-N -1 0 307.310 -0.110 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001608594137 1019213618 /nfs/dbraw/zinc/21/36/18/1019213618.db2.gz AYQKMORKAXLBMX-NGZCFLSTSA-N -1 0 303.336 -0.629 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C2OCCO2)C1 ZINC001608587978 1019213867 /nfs/dbraw/zinc/21/38/67/1019213867.db2.gz YEVNZGVANQBYBJ-GHMZBOCLSA-N -1 0 324.333 -0.360 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)CNC(=O)C2CCCCC2)C1 ZINC001608602612 1019214950 /nfs/dbraw/zinc/21/49/50/1019214950.db2.gz RHCGKQWMORARLV-NWDGAFQWSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCCC3(CC3)C2)C1 ZINC001608601917 1019215095 /nfs/dbraw/zinc/21/50/95/1019215095.db2.gz NKKAEFLSWXBJSH-GHMZBOCLSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(S(=O)(=O)CC2CCOCC2)C1 ZINC001608602141 1019215734 /nfs/dbraw/zinc/21/57/34/1019215734.db2.gz QAYYIISUODSMFO-QWRGUYRKSA-N -1 0 307.368 -0.490 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001608597823 1019215835 /nfs/dbraw/zinc/21/58/35/1019215835.db2.gz ZLOONQLRZRENMN-BZPMIXESSA-N -1 0 312.366 -0.466 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)CCC(=O)N1CCOCC1 ZINC001608595194 1019216636 /nfs/dbraw/zinc/21/66/36/1019216636.db2.gz HLNJTTDADXGUMA-GXFFZTMASA-N -1 0 314.338 -0.938 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)Cc1ccc[nH]1 ZINC001608609564 1019218852 /nfs/dbraw/zinc/21/88/52/1019218852.db2.gz CARSLJDXRAVWAZ-VXGBXAGGSA-N -1 0 323.349 -0.785 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCCOC[C@@H]2CCOC2)C1 ZINC001608606976 1019220088 /nfs/dbraw/zinc/22/00/88/1019220088.db2.gz VZFHDFLUSNXGPR-IJLUTSLNSA-N -1 0 316.354 -0.484 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001608610024 1019220825 /nfs/dbraw/zinc/22/08/25/1019220825.db2.gz FVAAYFHZJKNDGE-MNOVXSKESA-N -1 0 320.349 -0.266 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC/C=C\CNc1ccc2nnnn2n1 ZINC001608610178 1019221447 /nfs/dbraw/zinc/22/14/47/1019221447.db2.gz IAACQIAKLNXYHX-WDESOFOKSA-N -1 0 317.309 -0.676 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc[nH]1 ZINC001608610656 1019221663 /nfs/dbraw/zinc/22/16/63/1019221663.db2.gz JZKCALSGFMTWOD-VLEAKVRGSA-N -1 0 318.333 -0.054 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(Cc2nc(C3CC3)no2)C1 ZINC001608610028 1019222206 /nfs/dbraw/zinc/22/22/06/1019222206.db2.gz FVSGMOSQMNJXKR-UWVGGRQHSA-N -1 0 306.322 -0.032 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)Cn2ccnc2)CC1 ZINC001608610708 1019222289 /nfs/dbraw/zinc/22/22/89/1019222289.db2.gz KUDVTGBLBOHGSC-NWDGAFQWSA-N -1 0 320.349 -0.289 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccncc3)C[C@H]21 ZINC001608610960 1019223349 /nfs/dbraw/zinc/22/33/49/1019223349.db2.gz OOZCADAEUATZSX-FHUSYTEZSA-N -1 0 315.329 -0.011 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnns3)C[C@H]21 ZINC001608609972 1019223373 /nfs/dbraw/zinc/22/33/73/1019223373.db2.gz GNPSRIKGXHZXMR-KUIGQIJESA-N -1 0 322.346 -0.555 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2C1 ZINC001608610508 1019223425 /nfs/dbraw/zinc/22/34/25/1019223425.db2.gz JCEMIZISZGRSNQ-QCLAVDOMSA-N -1 0 320.305 -0.679 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC2(CN(C(=O)c3cn[nH]c3)C2)C1 ZINC001608611197 1019224480 /nfs/dbraw/zinc/22/44/80/1019224480.db2.gz NVABUFBJAWQYAQ-QWRGUYRKSA-N -1 0 318.333 -0.195 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(Cc2noc(C3CC3)n2)C1 ZINC001608611749 1019225021 /nfs/dbraw/zinc/22/50/21/1019225021.db2.gz RAQLTRMZUFZQGV-VHSXEESVSA-N -1 0 306.322 -0.032 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2ncccn2)CC1 ZINC001608611379 1019225064 /nfs/dbraw/zinc/22/50/64/1019225064.db2.gz PDKINWGHFVGJPV-MNOVXSKESA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001608611857 1019225791 /nfs/dbraw/zinc/22/57/91/1019225791.db2.gz RTFGUEKBTODOGZ-WDEREUQCSA-N -1 0 320.349 -0.266 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)CCc2ncccn2)C1 ZINC001608611812 1019225933 /nfs/dbraw/zinc/22/59/33/1019225933.db2.gz RNCXVRZOOICYQB-MNOVXSKESA-N -1 0 318.333 -0.543 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)Cn2ccnc2)C1 ZINC001608611610 1019226136 /nfs/dbraw/zinc/22/61/36/1019226136.db2.gz PXMNSEYZOHNKES-QWRGUYRKSA-N -1 0 306.322 -0.822 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001608611854 1019226503 /nfs/dbraw/zinc/22/65/03/1019226503.db2.gz RTFGUEKBTODOGZ-MNOVXSKESA-N -1 0 320.349 -0.266 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)CCc2ncccn2)C1 ZINC001608611811 1019226611 /nfs/dbraw/zinc/22/66/11/1019226611.db2.gz RNCXVRZOOICYQB-GHMZBOCLSA-N -1 0 318.333 -0.543 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2ncccc2F)C1 ZINC001608612677 1019227849 /nfs/dbraw/zinc/22/78/49/1019227849.db2.gz YSPPCLPOUUOUGY-IUCAKERBSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)CC2CCC2)C1 ZINC001608612259 1019228151 /nfs/dbraw/zinc/22/81/51/1019228151.db2.gz UHOOCVZPTGACNZ-GHMZBOCLSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)Cc2cccnc2)C1 ZINC001608612040 1019228374 /nfs/dbraw/zinc/22/83/74/1019228374.db2.gz SGVGUDGRDYEGNJ-OLZOCXBDSA-N -1 0 317.345 -0.081 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001608612105 1019228541 /nfs/dbraw/zinc/22/85/41/1019228541.db2.gz STOYCEQXSQWSSQ-IUCAKERBSA-N -1 0 319.321 -0.800 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(Cc2nnnn2C2CC2)C1 ZINC001608612080 1019228667 /nfs/dbraw/zinc/22/86/67/1019228667.db2.gz SOASAPVBCVKNQL-UWVGGRQHSA-N -1 0 306.326 -0.971 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cocn3)C[C@H]21 ZINC001608612209 1019229003 /nfs/dbraw/zinc/22/90/03/1019229003.db2.gz YWOMEFXUJJDYRP-CDDJKKQXSA-N -1 0 305.290 -0.418 20 0 DBADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(CCO)CCOCCO)C1 ZINC001608620862 1019229177 /nfs/dbraw/zinc/22/91/77/1019229177.db2.gz UJEDMPBECDOPTM-RYUDHWBXSA-N -1 0 303.355 -0.293 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@H]1CCCNC1=O ZINC001608626445 1019231146 /nfs/dbraw/zinc/23/11/46/1019231146.db2.gz AFKJWPGHGHXVDN-GUBZILKMSA-N -1 0 304.368 -0.172 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)NCC1(CO)COC1 ZINC001608625963 1019232056 /nfs/dbraw/zinc/23/20/56/1019232056.db2.gz DAIQLOJZAFNHSD-NXEZZACHSA-N -1 0 307.368 -0.442 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)CN2CCNCC2=O)[C@@H]2CCC[C@@H]21 ZINC001608631332 1019232106 /nfs/dbraw/zinc/23/21/06/1019232106.db2.gz GLYGZLSLSMPWCZ-IJLUTSLNSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])C1CCN(C(=O)CSc2nnc3[nH]cnn32)CC1 ZINC001608631720 1019232676 /nfs/dbraw/zinc/23/26/76/1019232676.db2.gz GCAPNLAMUTUUHN-UHFFFAOYSA-N -1 0 310.339 -0.132 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCO[C@@H](CCF)C2)C1=O ZINC001608629830 1019232957 /nfs/dbraw/zinc/23/29/57/1019232957.db2.gz SYSXRZBBRIAAMR-QWRGUYRKSA-N -1 0 316.329 -0.103 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC2CN(c3ccncn3)C2)CCO1 ZINC001608643357 1019233356 /nfs/dbraw/zinc/23/33/56/1019233356.db2.gz NMOVLWRSTAGAPS-SNVBAGLBSA-N -1 0 307.310 -0.840 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N(CCCn3cncn3)C(=O)[C@@H]2C1 ZINC001608639879 1019233626 /nfs/dbraw/zinc/23/36/26/1019233626.db2.gz IDMDMRHBHCJUHU-ZJUUUORDSA-N -1 0 307.310 -0.204 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2C[C@@H]2C[C@H]3CCC[C@H]3O2)CCO1 ZINC001608646585 1019234164 /nfs/dbraw/zinc/23/41/64/1019234164.db2.gz NCNIOXBJTHLYDP-KXNHARMFSA-N -1 0 323.353 -0.080 20 0 DBADRM O=C([O-])[C@H]1CCN1C(=O)CN1CCN(c2ccccn2)CC1 ZINC001608638680 1019234337 /nfs/dbraw/zinc/23/43/37/1019234337.db2.gz DZKKPGZXNMFQQD-GFCCVEGCSA-N -1 0 304.350 -0.111 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CCC(=O)N2CCC(O)CC2)CCO1 ZINC001608642374 1019234658 /nfs/dbraw/zinc/23/46/58/1019234658.db2.gz ACWXYVVKUSRMRT-NSHDSACASA-N -1 0 314.338 -0.938 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1nccnc1Cl ZINC001608647857 1019235406 /nfs/dbraw/zinc/23/54/06/1019235406.db2.gz CLRSNNALOBPRSA-ZCFIWIBFSA-N -1 0 319.726 -0.546 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCOCC1CC1 ZINC001608647724 1019235995 /nfs/dbraw/zinc/23/59/95/1019235995.db2.gz SVORQODPJCVRDT-JTQLQIEISA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CCC(=O)N1CCCC1 ZINC001608647821 1019236054 /nfs/dbraw/zinc/23/60/54/1019236054.db2.gz BABSVZIFEZGPHR-SNVBAGLBSA-N -1 0 304.368 -0.818 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CCCN1CCOC1=O ZINC001608648137 1019236103 /nfs/dbraw/zinc/23/61/03/1019236103.db2.gz OZTQTQKOAOQHIH-VIFPVBQESA-N -1 0 306.340 -0.988 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cc1cncs1 ZINC001608647606 1019236372 /nfs/dbraw/zinc/23/63/72/1019236372.db2.gz JHEFTDDARVQRGU-MRVPVSSYSA-N -1 0 304.349 -0.604 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCc1cncs1 ZINC001608647712 1019236399 /nfs/dbraw/zinc/23/63/99/1019236399.db2.gz SNNYYIPUFQHZQZ-SECBINFHSA-N -1 0 318.376 -0.214 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)C[C@H]1CC2(CCC2)CO1 ZINC001608675521 1019237881 /nfs/dbraw/zinc/23/78/81/1019237881.db2.gz LWVUMKGGILEXOC-NXEZZACHSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1cncc2c1CCCC2 ZINC001608675358 1019238069 /nfs/dbraw/zinc/23/80/69/1019238069.db2.gz FOBYFZXIUIVFNT-JTQLQIEISA-N -1 0 321.333 -0.149 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC001608674273 1019238344 /nfs/dbraw/zinc/23/83/44/1019238344.db2.gz QONYTPVKUAWVLU-SNVBAGLBSA-N -1 0 320.301 -0.294 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)C[C@@H]1CC2(CCC2)CO1 ZINC001608675524 1019238382 /nfs/dbraw/zinc/23/83/82/1019238382.db2.gz LWVUMKGGILEXOC-ZJUUUORDSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)CCNC(=O)Cc1ccccc1 ZINC001608676432 1019239353 /nfs/dbraw/zinc/23/93/53/1019239353.db2.gz SDXNQYQLERMGJT-LBPRGKRZSA-N -1 0 308.334 -0.313 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NC[C@@H](CO)[C@@H]2CCOC2)CC1 ZINC001608681344 1019239397 /nfs/dbraw/zinc/23/93/97/1019239397.db2.gz PIEWFLDRWRDTJE-MNOVXSKESA-N -1 0 321.395 -0.194 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)c1ccc2c(c1)C(=O)CC2 ZINC001608677004 1019240236 /nfs/dbraw/zinc/24/02/36/1019240236.db2.gz NNZPEZGIYJULBN-SECBINFHSA-N -1 0 313.331 -0.071 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC001608675766 1019240489 /nfs/dbraw/zinc/24/04/89/1019240489.db2.gz KLRSFWZHWQOZAA-QMMMGPOBSA-N -1 0 309.278 -0.025 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1cccnc1Cl ZINC001608675904 1019241075 /nfs/dbraw/zinc/24/10/75/1019241075.db2.gz MGPGUOCWVLSRRY-LURJTMIESA-N -1 0 301.686 -0.375 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001608681187 1019241179 /nfs/dbraw/zinc/24/11/79/1019241179.db2.gz KGRCBLKNDFLTMG-JTQLQIEISA-N -1 0 316.379 -0.122 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C[C@@H](O)CC1(O)CCCC1 ZINC001608689300 1019241962 /nfs/dbraw/zinc/24/19/62/1019241962.db2.gz BBAMOXWTUZUUOH-WDEREUQCSA-N -1 0 300.355 -0.682 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@H]1Cc2cccnc2C1 ZINC001608688936 1019242868 /nfs/dbraw/zinc/24/28/68/1019242868.db2.gz AIYCFJRPRPASAM-CMPLNLGQSA-N -1 0 303.318 -0.402 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cn1nnc2ccccc21 ZINC001608690112 1019242912 /nfs/dbraw/zinc/24/29/12/1019242912.db2.gz ZDBBNXZOOXTBMY-LLVKDONJSA-N -1 0 317.305 -0.767 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C[C@@H](O)CC1(O)CCCC1 ZINC001608689298 1019243283 /nfs/dbraw/zinc/24/32/83/1019243283.db2.gz BBAMOXWTUZUUOH-QWRGUYRKSA-N -1 0 300.355 -0.682 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1CC(=O)NC(C1CC1)C1CC1 ZINC001608689805 1019244218 /nfs/dbraw/zinc/24/42/18/1019244218.db2.gz NNXGLEAHAIVYGZ-LLVKDONJSA-N -1 0 309.366 -0.434 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)CCO1 ZINC001608700248 1019244733 /nfs/dbraw/zinc/24/47/33/1019244733.db2.gz BSLTWSNILWZRHE-QMMMGPOBSA-N -1 0 306.278 -0.021 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C[C@@H]2C=CS(=O)(=O)C2)CCO1 ZINC001608699233 1019244989 /nfs/dbraw/zinc/24/49/89/1019244989.db2.gz DWULTXNHDLAPPR-VHSXEESVSA-N -1 0 303.336 -0.363 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCCn2cccc2)CCO1 ZINC001608698594 1019245275 /nfs/dbraw/zinc/24/52/75/1019245275.db2.gz IDVNBUJTVRLKHB-NSHDSACASA-N -1 0 309.322 -0.694 20 0 DBADRM O=C([O-])C[C@H]1COCCN1CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001608700995 1019246050 /nfs/dbraw/zinc/24/60/50/1019246050.db2.gz FYDFXVUERXYNFJ-QWHCGFSZSA-N -1 0 312.366 -0.201 20 0 DBADRM O=C([O-])CC1CCN(S(=O)(=O)CCN2CCOC2=O)CC1 ZINC001608698073 1019246294 /nfs/dbraw/zinc/24/62/94/1019246294.db2.gz HLHRHTJRCHJTTA-UHFFFAOYSA-N -1 0 320.367 -0.045 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(O)cn1 ZINC001608703104 1019247300 /nfs/dbraw/zinc/24/73/00/1019247300.db2.gz KJUBDJZDIDIEMX-QMMMGPOBSA-N -1 0 314.319 -0.499 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)C1CCC(O)CC1 ZINC001608702314 1019247423 /nfs/dbraw/zinc/24/74/23/1019247423.db2.gz JJDTXYQBCQDBQQ-YVNMAJEFSA-N -1 0 319.379 -0.362 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCC[C@]12CCOC2=O ZINC001608712624 1019247686 /nfs/dbraw/zinc/24/76/86/1019247686.db2.gz FDLXUCNIALMDFT-CQSZACIVSA-N -1 0 312.322 -0.334 20 0 DBADRM O=C([O-])CCCCC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC001608710200 1019247828 /nfs/dbraw/zinc/24/78/28/1019247828.db2.gz RIINLXCQXPCYNS-UHFFFAOYSA-N -1 0 307.368 -0.313 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1CCOC1CCOCC1 ZINC001608702836 1019247859 /nfs/dbraw/zinc/24/78/59/1019247859.db2.gz BEDBSOHTBFJZCY-NSHDSACASA-N -1 0 321.395 -0.244 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)CN1CCOCC1=O ZINC001608721336 1019249881 /nfs/dbraw/zinc/24/98/81/1019249881.db2.gz KOPOYCCXPPOYPC-NSHDSACASA-N -1 0 314.338 -0.673 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[C@H]2CCNC(=O)[C@H]21 ZINC001608717977 1019251109 /nfs/dbraw/zinc/25/11/09/1019251109.db2.gz MLYRNOCBRQDHCF-ONGXEEELSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)C(=O)Nc1ccsc1 ZINC001608727515 1019251807 /nfs/dbraw/zinc/25/18/07/1019251807.db2.gz SUDSNMMFCZYPGD-UHFFFAOYSA-N -1 0 313.335 -0.216 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)c2cc3n(n2)CCO3)C1=O ZINC001608723914 1019252056 /nfs/dbraw/zinc/25/20/56/1019252056.db2.gz BRJFTSCZVHNJHY-SECBINFHSA-N -1 0 309.278 -0.492 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCc2c[nH]nc2C1 ZINC001608727519 1019253265 /nfs/dbraw/zinc/25/32/65/1019253265.db2.gz SZJYSMJXEIOTPL-UHFFFAOYSA-N -1 0 309.326 -0.542 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC001608727318 1019253499 /nfs/dbraw/zinc/25/34/99/1019253499.db2.gz LTOWNMQYGKURHJ-QWRGUYRKSA-N -1 0 313.354 -0.355 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](OC(=O)Cn2ccccc2=O)C1=O ZINC001608726617 1019253792 /nfs/dbraw/zinc/25/37/92/1019253792.db2.gz VFNFDJSBBVDPQA-LLVKDONJSA-N -1 0 322.317 -0.143 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](N2CCN3C(=O)OC[C@@H]3C2)C1=O ZINC001608725005 1019253876 /nfs/dbraw/zinc/25/38/76/1019253876.db2.gz BXMUZTYFSWCGKD-WDEREUQCSA-N -1 0 311.338 -0.412 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC001608727385 1019254512 /nfs/dbraw/zinc/25/45/12/1019254512.db2.gz OGRPDNNVXNKSLV-OPQQBVKSSA-N -1 0 313.354 -0.478 20 0 DBADRM O=C([O-])CCNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC001608729938 1019255656 /nfs/dbraw/zinc/25/56/56/1019255656.db2.gz JIRYGFIYYNDGKI-JTQLQIEISA-N -1 0 305.290 -0.282 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)Cc1[nH]nc2c1CCCC2 ZINC001608729540 1019256943 /nfs/dbraw/zinc/25/69/43/1019256943.db2.gz MPJSHXLZUVTKDT-UHFFFAOYSA-N -1 0 309.322 -0.035 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1ccn2nccc2n1 ZINC001608728652 1019257100 /nfs/dbraw/zinc/25/71/00/1019257100.db2.gz OVYKPMLOLLICDW-UHFFFAOYSA-N -1 0 305.294 -0.560 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCN(Cc2ccccn2)CC1 ZINC001608729670 1019257722 /nfs/dbraw/zinc/25/77/22/1019257722.db2.gz ZKKPJBXIMWEKFE-UHFFFAOYSA-N -1 0 306.366 -0.210 20 0 DBADRM CC(C)=CC(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001503829375 1019257501 /nfs/dbraw/zinc/25/75/01/1019257501.db2.gz HOBROCMVDVVKMR-UHFFFAOYSA-N -1 0 309.370 -0.080 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001608729422 1019258051 /nfs/dbraw/zinc/25/80/51/1019258051.db2.gz JZNTUIVWENSWDI-MRVPVSSYSA-N -1 0 305.308 -0.931 20 0 DBADRM O=C([O-])CN(CCC(F)(F)F)C(=O)C1CS(=O)(=O)C1 ZINC001608744652 1019260086 /nfs/dbraw/zinc/26/00/86/1019260086.db2.gz RQEAXXRLCNROTQ-UHFFFAOYSA-N -1 0 303.258 -0.103 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCC[N@H+]1C[C@H](O)CC1(O)CCCC1 ZINC001608750156 1019260919 /nfs/dbraw/zinc/26/09/19/1019260919.db2.gz ACOPZAFUXJLLDS-VXGBXAGGSA-N -1 0 314.382 -0.292 20 0 DBADRM O=C([O-])CN1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 ZINC001608748968 1019261496 /nfs/dbraw/zinc/26/14/96/1019261496.db2.gz FBJKETHLFABJNZ-ZDUSSCGKSA-N -1 0 318.329 -0.003 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC001608752630 1019263717 /nfs/dbraw/zinc/26/37/17/1019263717.db2.gz HCDGIUISZXMOSS-JTQLQIEISA-N -1 0 323.305 -0.820 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1CC[S@@](=O)C(F)(F)F ZINC001608751647 1019264097 /nfs/dbraw/zinc/26/40/97/1019264097.db2.gz VLIMNOUWYWOYSI-JLPJYYFKSA-N -1 0 316.301 -0.080 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1ccc(CO)cc1 ZINC001608750509 1019264450 /nfs/dbraw/zinc/26/44/50/1019264450.db2.gz LHZLRWADRNXAHQ-GFCCVEGCSA-N -1 0 306.318 -0.016 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1nccn2ccnc12 ZINC001608751558 1019264463 /nfs/dbraw/zinc/26/44/63/1019264463.db2.gz SRUBHJCAUAHNAT-VIFPVBQESA-N -1 0 317.305 -0.465 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)C1SCCS1 ZINC001608751298 1019264767 /nfs/dbraw/zinc/26/47/67/1019264767.db2.gz XLBGSJAIYCWYEU-SSDOTTSWSA-N -1 0 304.393 -0.016 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1CC[C@@H]1CCS(=O)(=O)C1 ZINC001608750968 1019264928 /nfs/dbraw/zinc/26/49/28/1019264928.db2.gz KXGDWGILLCGOPF-MNOVXSKESA-N -1 0 318.395 -0.524 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O ZINC001608752053 1019265352 /nfs/dbraw/zinc/26/53/52/1019265352.db2.gz JXBOVLGNPAQFQJ-GHMZBOCLSA-N -1 0 320.301 -0.392 20 0 DBADRM O=C([O-])COCCNC(=O)Cn1ncc(=O)c2ccccc21 ZINC001608757313 1019265927 /nfs/dbraw/zinc/26/59/27/1019265927.db2.gz POIKZUMRMVPBLW-UHFFFAOYSA-N -1 0 305.290 -0.386 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1c[nH]c(=O)c2ccccc12 ZINC001608753110 1019266884 /nfs/dbraw/zinc/26/68/84/1019266884.db2.gz JSKLXOWIBFVRAK-UHFFFAOYSA-N -1 0 303.274 -0.129 20 0 DBADRM O=C([O-])COCC(=O)NCCc1nc2c(s1)COCC2 ZINC001608756469 1019267846 /nfs/dbraw/zinc/26/78/46/1019267846.db2.gz CICJFHOQZGFCAL-UHFFFAOYSA-N -1 0 300.336 -0.024 20 0 DBADRM CC(C)[C@@H](F)C(=O)NC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574839438 1019270816 /nfs/dbraw/zinc/27/08/16/1019270816.db2.gz CJCRFIDTYNBTKW-WCBMZHEXSA-N -1 0 322.348 -0.011 20 0 DBADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC001608770604 1019271540 /nfs/dbraw/zinc/27/15/40/1019271540.db2.gz LTEQDKANCJTGOU-HBNTYKKESA-N -1 0 311.342 -0.418 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N[C@H]2CCNC2=O)cc1F ZINC001608783664 1019271939 /nfs/dbraw/zinc/27/19/39/1019271939.db2.gz IOLAHVDHUINHKT-JTQLQIEISA-N -1 0 316.310 -0.380 20 0 DBADRM CC(C)[C@H](F)C(=O)NC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574839439 1019272046 /nfs/dbraw/zinc/27/20/46/1019272046.db2.gz CJCRFIDTYNBTKW-WPRPVWTQSA-N -1 0 322.348 -0.011 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC001608758398 1019272633 /nfs/dbraw/zinc/27/26/33/1019272633.db2.gz XFIKUSMNELYHMP-PHIMTYICSA-N -1 0 318.285 -0.505 20 0 DBADRM O=C([O-])Cn1cc(CN[C@H]2COc3ccccc3[C@@H]2O)nn1 ZINC001608797473 1019273627 /nfs/dbraw/zinc/27/36/27/1019273627.db2.gz ITIDQQCDCSWNMH-FZMZJTMJSA-N -1 0 304.306 -0.053 20 0 DBADRM O=C([O-])Cn1cc(CN2C(=O)NC3(CCC(=O)CC3)C2=O)nn1 ZINC001608797075 1019274547 /nfs/dbraw/zinc/27/45/47/1019274547.db2.gz NJFFBUPEIRMHKG-UHFFFAOYSA-N -1 0 321.293 -0.704 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)[C@@H](O)c2cccnc2)nn1 ZINC001608796800 1019276417 /nfs/dbraw/zinc/27/64/17/1019276417.db2.gz UBXHQTAUGXOSEE-LBPRGKRZSA-N -1 0 306.278 -0.423 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)/C=C\Cn2cncn2)nn1 ZINC001608796711 1019276629 /nfs/dbraw/zinc/27/66/29/1019276629.db2.gz MVZVIAYJIAABNA-UPHRSURJSA-N -1 0 306.282 -0.704 20 0 DBADRM O=C([O-])Cn1cc([N-]S(=O)(=O)c2cnc3n2CCC3)cn1 ZINC001608798254 1019279529 /nfs/dbraw/zinc/27/95/29/1019279529.db2.gz SJBSWOBBTJOFQZ-UHFFFAOYSA-N -1 0 311.323 -0.089 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCC(N2CCCNC2=O)CC1 ZINC001608801323 1019279760 /nfs/dbraw/zinc/27/97/60/1019279760.db2.gz PSTZSOBGFKYARX-JTQLQIEISA-N -1 0 316.333 -0.002 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCCn3nccc32)cn1 ZINC001608798334 1019279800 /nfs/dbraw/zinc/27/98/00/1019279800.db2.gz XMDHREYJBDNTFD-UHFFFAOYSA-N -1 0 311.323 -0.237 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2nc([C@@H]3CCOC3)n[nH]2)O1 ZINC001608804398 1019280197 /nfs/dbraw/zinc/28/01/97/1019280197.db2.gz WIBXOOIISQRSQO-HLTSFMKQSA-N -1 0 310.310 -0.443 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)NCCN1CCOCC1 ZINC001608956365 1019298500 /nfs/dbraw/zinc/29/85/00/1019298500.db2.gz QDFAYYMEOIQROP-UHFFFAOYSA-N -1 0 304.324 -0.412 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cnc2n1CCCC2 ZINC001608811152 1019281493 /nfs/dbraw/zinc/28/14/93/1019281493.db2.gz RHZQGVSPYKBNJX-BDAKNGLRSA-N -1 0 315.351 -0.572 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CC[C@H](Nc3ncccn3)C2)C(=O)O1 ZINC001608808976 1019281748 /nfs/dbraw/zinc/28/17/48/1019281748.db2.gz RBCZCBIRBHUSFF-UWVGGRQHSA-N -1 0 307.310 -0.174 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCN(c3cnccn3)CC2)C(=O)O1 ZINC001608808972 1019281786 /nfs/dbraw/zinc/28/17/86/1019281786.db2.gz QTOPDYRLLJRDRM-JTQLQIEISA-N -1 0 307.310 -0.539 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNS(=O)(=O)CCn1cccn1 ZINC001608815439 1019281862 /nfs/dbraw/zinc/28/18/62/1019281862.db2.gz WZTVZHHOBWAIHH-NXEZZACHSA-N -1 0 303.340 -0.708 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)Cc1noc(C2CC2)n1 ZINC001608815495 1019282361 /nfs/dbraw/zinc/28/23/61/1019282361.db2.gz BCMIXGNJECXXMB-IONNQARKSA-N -1 0 317.323 -0.392 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)[C@@H]1CCC=CO1 ZINC001608813186 1019283803 /nfs/dbraw/zinc/28/38/03/1019283803.db2.gz JNGVYQFFGAPWHJ-GUBZILKMSA-N -1 0 323.305 -0.715 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCC(Cn3ccnn3)CC2)C(=O)O1 ZINC001608809048 1019283911 /nfs/dbraw/zinc/28/39/11/1019283911.db2.gz WJUTZVDFWXCWNM-NSHDSACASA-N -1 0 309.326 -0.147 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCC(CO)(CO)CC2)C1 ZINC001608823905 1019286014 /nfs/dbraw/zinc/28/60/14/1019286014.db2.gz ASBUXISENFDATB-AOOOYVTPSA-N -1 0 307.368 -0.754 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@H](CO)C[C@H]2CCCO2)C1 ZINC001608824469 1019286158 /nfs/dbraw/zinc/28/61/58/1019286158.db2.gz WSMCAFYQJWFKGF-UKKRHICBSA-N -1 0 307.368 -0.301 20 0 DBADRM O=C([O-])c1c[nH]c(=O)c(NC(=O)[C@]2(F)CCS(=O)(=O)C2)c1 ZINC001608831551 1019286173 /nfs/dbraw/zinc/28/61/73/1019286173.db2.gz JFBQUXREJQSYIB-NSHDSACASA-N -1 0 318.282 -0.049 20 0 DBADRM O=C([O-])[C@]12CN(c3nnnn3[C@@H]3CCCOC3)C[C@H]1COCC2 ZINC001608817810 1019286745 /nfs/dbraw/zinc/28/67/45/1019286745.db2.gz CWGGIMDDUSMIBM-MISXGVKJSA-N -1 0 323.353 -0.048 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(c3nnnn3CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001608817299 1019287466 /nfs/dbraw/zinc/28/74/66/1019287466.db2.gz KWLIYDNXGKMMET-UYXSQOIJSA-N -1 0 315.280 -0.136 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)n[nH]1 ZINC001608857803 1019288175 /nfs/dbraw/zinc/28/81/75/1019288175.db2.gz DJFDMLYDPWNFNC-UHFFFAOYSA-N -1 0 300.296 -0.939 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H](CCO)C2)n[nH]1 ZINC001608859218 1019288761 /nfs/dbraw/zinc/28/87/61/1019288761.db2.gz JCPGVLCVFUQFFJ-QMMMGPOBSA-N -1 0 303.340 -0.109 20 0 DBADRM O=C([O-])c1cc(Cl)cc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c1 ZINC001608845989 1019288914 /nfs/dbraw/zinc/28/89/14/1019288914.db2.gz BYTSRHVFUQMAQD-UWVGGRQHSA-N -1 0 321.738 -0.236 20 0 DBADRM O=C([O-])c1cc(NC[C@]23COCCN2C(=O)COC3)ncn1 ZINC001608856396 1019289999 /nfs/dbraw/zinc/28/99/99/1019289999.db2.gz VMTXFLQRJXDTTF-CYBMUJFWSA-N -1 0 308.294 -0.786 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCS(=O)(=O)CC2CC2)on1 ZINC001608837410 1019290216 /nfs/dbraw/zinc/29/02/16/1019290216.db2.gz PZTSGXVWZLMZHM-UHFFFAOYSA-N -1 0 302.308 -0.073 20 0 DBADRM O=C([O-])c1cc(F)cc(C(=O)N2CC3(C2)C[C@H](O)CNC3=O)c1 ZINC001608848121 1019291214 /nfs/dbraw/zinc/29/12/14/1019291214.db2.gz AMGLDVBWDYLRKZ-NSHDSACASA-N -1 0 322.292 -0.153 20 0 DBADRM O=C([O-])c1ccc(CS(=O)(=O)NC[C@@H]2COCCN2)cc1 ZINC001608890693 1019291887 /nfs/dbraw/zinc/29/18/87/1019291887.db2.gz ZNXAQVJCIMVKHZ-GFCCVEGCSA-N -1 0 314.363 -0.207 20 0 DBADRM O=C([O-])c1ccc(/C=C/C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)o1 ZINC001608879134 1019294040 /nfs/dbraw/zinc/29/40/40/1019294040.db2.gz QZXPUIOFPJPZLS-IUOAHAGKSA-N -1 0 304.258 -0.278 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCO[C@@H]2CC2(F)F)n[nH]1 ZINC001608861936 1019294410 /nfs/dbraw/zinc/29/44/10/1019294410.db2.gz ZNHPPVPKFXXSGS-ZCFIWIBFSA-N -1 0 311.266 -0.190 20 0 DBADRM O=C([O-])c1cccc(C(=O)NCCN2CCC3(C2)OCCO3)n1 ZINC001608929079 1019295786 /nfs/dbraw/zinc/29/57/86/1019295786.db2.gz SEDJVRLUOHWALZ-UHFFFAOYSA-N -1 0 321.333 -0.042 20 0 DBADRM O=C([O-])c1cccc(CN(CCO)CCN2CCOCC2)n1 ZINC001608930544 1019296436 /nfs/dbraw/zinc/29/64/36/1019296436.db2.gz JDMXWJRIIFBVSB-UHFFFAOYSA-N -1 0 309.366 -0.094 20 0 DBADRM O=C([O-])c1ccnc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)c1 ZINC001608951822 1019296465 /nfs/dbraw/zinc/29/64/65/1019296465.db2.gz OOKQJGBUNLKGFC-GFCCVEGCSA-N -1 0 314.319 -0.941 20 0 DBADRM O=C([O-])c1cccc(OCCN2CCN(C(=O)CO)CC2)c1 ZINC001608937341 1019296537 /nfs/dbraw/zinc/29/65/37/1019296537.db2.gz RESJJGWNTBWNGI-UHFFFAOYSA-N -1 0 308.334 -0.100 20 0 DBADRM O=C([O-])c1cccc(C(=O)N[C@@H](CO)[C@H](O)c2cccnc2)n1 ZINC001608928728 1019296636 /nfs/dbraw/zinc/29/66/36/1019296636.db2.gz IPDIFBMTQFOVGW-QWHCGFSZSA-N -1 0 317.301 -0.001 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC001608951279 1019296733 /nfs/dbraw/zinc/29/67/33/1019296733.db2.gz NYXXOHOWHWDDTN-SECBINFHSA-N -1 0 304.262 -0.844 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCC(OCCCO)CC2)n1 ZINC001608950565 1019296804 /nfs/dbraw/zinc/29/68/04/1019296804.db2.gz YCRWVIYAKNJUIS-UHFFFAOYSA-N -1 0 311.338 -0.029 20 0 DBADRM O=C([O-])c1ccccc1CS(=O)(=O)NCCn1ncnn1 ZINC001608947058 1019296967 /nfs/dbraw/zinc/29/69/67/1019296967.db2.gz GZUUVHHZILIGSE-UHFFFAOYSA-N -1 0 311.323 -0.509 20 0 DBADRM O=C([O-])c1ccccc1CS(=O)(=O)NC[C@@]1(O)CCOC1 ZINC001608947141 1019297218 /nfs/dbraw/zinc/29/72/18/1019297218.db2.gz JWYYFMGMRJUQLL-ZDUSSCGKSA-N -1 0 315.347 -0.044 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)CN3CCCC3=O)C2)nn1 ZINC001608959737 1019298144 /nfs/dbraw/zinc/29/81/44/1019298144.db2.gz IUYKQICBBOYPGZ-VIFPVBQESA-N -1 0 307.310 -0.628 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(CN3C[C@@H]4CCO[C@@H]4C3=O)C2)nn1 ZINC001608961586 1019298443 /nfs/dbraw/zinc/29/84/43/1019298443.db2.gz RNXLLBZBPWONMR-NHCYSSNCSA-N -1 0 321.337 -0.572 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)C[C@@H]3CCNC3=O)C2)nn1 ZINC001608957413 1019298801 /nfs/dbraw/zinc/29/88/01/1019298801.db2.gz CDOJAJIYPZXZNH-UWVGGRQHSA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CCN3CCOCC3)C2)nn1 ZINC001608962316 1019298904 /nfs/dbraw/zinc/29/89/04/1019298904.db2.gz IRESTTOVORDZTL-UHFFFAOYSA-N -1 0 309.326 -0.918 20 0 DBADRM O=C([O-])c1cn(C2CN(Cn3cc4[nH]cccc-4c3=O)C2)nn1 ZINC001608962982 1019299267 /nfs/dbraw/zinc/29/92/67/1019299267.db2.gz NHQHFHJFFUIBFW-UHFFFAOYSA-N -1 0 314.305 -0.159 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC(O)(CO)C2)c2ccccc12 ZINC001608962818 1019299904 /nfs/dbraw/zinc/29/99/04/1019299904.db2.gz BVZFPHLUVHXVRG-UHFFFAOYSA-N -1 0 304.302 -0.095 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NCCN1CCOCC1 ZINC001609005654 1019313487 /nfs/dbraw/zinc/31/34/87/1019313487.db2.gz XDMBBXFHRNRFRT-UHFFFAOYSA-N -1 0 321.380 -0.548 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(S(=O)(=O)NC3CC3)C2)nn1 ZINC001608962526 1019300487 /nfs/dbraw/zinc/30/04/87/1019300487.db2.gz UYAYSOIQDKNHOR-MRVPVSSYSA-N -1 0 301.328 -0.780 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)CN3CCCC3=O)C2)nn1 ZINC001608959736 1019300588 /nfs/dbraw/zinc/30/05/88/1019300588.db2.gz IUYKQICBBOYPGZ-SECBINFHSA-N -1 0 307.310 -0.628 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@H](O)[C@@H](F)C2)nn1 ZINC001608963641 1019303295 /nfs/dbraw/zinc/30/32/95/1019303295.db2.gz CPTZIJJESSSJRO-CBAPKCEASA-N -1 0 301.278 -0.909 20 0 DBADRM O=C([O-])c1cn(CCn2nnn(-c3ccccc3)c2=O)nn1 ZINC001608964589 1019303966 /nfs/dbraw/zinc/30/39/66/1019303966.db2.gz YWKIPOGMQXYERV-UHFFFAOYSA-N -1 0 301.266 -0.581 20 0 DBADRM O=C([O-])c1cnc(N2CCO[C@@H](CNC(=O)C3CC3)C2)nc1 ZINC001608975414 1019304411 /nfs/dbraw/zinc/30/44/11/1019304411.db2.gz VQUODNLIAXEWRS-NSHDSACASA-N -1 0 306.322 -0.094 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)nc1 ZINC001608975551 1019304682 /nfs/dbraw/zinc/30/46/82/1019304682.db2.gz DPLFFEOFJCSKTQ-MNOVXSKESA-N -1 0 317.305 -0.518 20 0 DBADRM O=C([O-])c1cnc(NCCCNC(=O)[C@H]2CCCNC2=O)nc1 ZINC001608977251 1019305940 /nfs/dbraw/zinc/30/59/40/1019305940.db2.gz DLTNVRPESAZNIM-JTQLQIEISA-N -1 0 321.337 -0.381 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)[C@@H]2CCOC2)nc1 ZINC001608976681 1019306201 /nfs/dbraw/zinc/30/62/01/1019306201.db2.gz BGUIVINKYZBRCZ-SCZZXKLOSA-N -1 0 310.310 -0.900 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)[C@H]3CCCO3)C2)n1 ZINC001608998883 1019307366 /nfs/dbraw/zinc/30/73/66/1019307366.db2.gz GYRYTCGSWHKQGK-NXEZZACHSA-N -1 0 306.322 -0.212 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCCN(C(=O)c3cnon3)C2)n1 ZINC001608999190 1019308021 /nfs/dbraw/zinc/30/80/21/1019308021.db2.gz PKWPCFALXFAYOI-QMMMGPOBSA-N -1 0 318.293 -0.304 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)[C@H]2CC23CCC3)n1 ZINC001608999089 1019308196 /nfs/dbraw/zinc/30/81/96/1019308196.db2.gz MEXIFXDGGCXLQZ-VHSXEESVSA-N -1 0 320.349 -0.324 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)NC[C@H](O)[C@@H]2CCCO2)c1 ZINC001608990525 1019308258 /nfs/dbraw/zinc/30/82/58/1019308258.db2.gz CGJTUMONJRRUQU-IUCAKERBSA-N -1 0 305.308 -0.204 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)[C@H]2CC=CCC2)n1 ZINC001608999253 1019308790 /nfs/dbraw/zinc/30/87/90/1019308790.db2.gz RRDXFOWNMCUICR-QWRGUYRKSA-N -1 0 320.349 -0.158 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)[C@H]2CC=CCC2)n1 ZINC001608999254 1019308861 /nfs/dbraw/zinc/30/88/61/1019308861.db2.gz RRDXFOWNMCUICR-WDEREUQCSA-N -1 0 320.349 -0.158 20 0 DBADRM O=C([O-])c1nccc(Nc2cnn(CCN3CCOCC3)c2)n1 ZINC001608999613 1019308884 /nfs/dbraw/zinc/30/88/84/1019308884.db2.gz JECHNAWUISTVGJ-UHFFFAOYSA-N -1 0 318.337 -0.131 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)n1 ZINC001608999755 1019309330 /nfs/dbraw/zinc/30/93/30/1019309330.db2.gz QTHMYOYQMPEPJO-LKVZDKOUSA-N -1 0 318.333 -0.452 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)[C@@H]3CCCO3)C2)n1 ZINC001608998886 1019309408 /nfs/dbraw/zinc/30/94/08/1019309408.db2.gz GYRYTCGSWHKQGK-ZJUUUORDSA-N -1 0 306.322 -0.212 20 0 DBADRM O=C([O-])c1n[nH]c2ccc(NC(=O)[C@H]3CCS(=O)(=O)N3)cc21 ZINC001608994672 1019309639 /nfs/dbraw/zinc/30/96/39/1019309639.db2.gz YFRFIAGPZLRMNB-SECBINFHSA-N -1 0 324.318 -0.109 20 0 DBADRM O=C([O-])c1ncn(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC001609002312 1019310741 /nfs/dbraw/zinc/31/07/41/1019310741.db2.gz MWQSVWHSHMANIV-LLVKDONJSA-N -1 0 323.353 -0.495 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CC[C@@H](O)[C@@H](F)C1 ZINC001609003321 1019312463 /nfs/dbraw/zinc/31/24/63/1019312463.db2.gz HMPVPIYYCAXETM-NTSWFWBYSA-N -1 0 310.328 -0.065 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001609028571 1019314408 /nfs/dbraw/zinc/31/44/08/1019314408.db2.gz WYTNKIKNJGBGIV-CYBMUJFWSA-N -1 0 306.278 -0.419 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)CCOC1 ZINC001609028403 1019314625 /nfs/dbraw/zinc/31/46/25/1019314625.db2.gz XGPKOHBAXNNWLL-AWEZNQCLSA-N -1 0 322.321 -0.816 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001609027945 1019314830 /nfs/dbraw/zinc/31/48/30/1019314830.db2.gz DKHNZZVXWWNVAD-GFCCVEGCSA-N -1 0 306.257 -0.304 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC001609028002 1019314861 /nfs/dbraw/zinc/31/48/61/1019314861.db2.gz BTDQYMCDFXUQMK-UHFFFAOYSA-N -1 0 324.308 -0.066 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)c2cc(N3CCOCC3)ncn2)C1 ZINC001609027602 1019314876 /nfs/dbraw/zinc/31/48/76/1019314876.db2.gz IFXVGTQZOTUPCG-CQSZACIVSA-N -1 0 324.312 -0.048 20 0 DBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)NC[C@@H]2CNC(=O)C2)c1 ZINC001609036457 1019315189 /nfs/dbraw/zinc/31/51/89/1019315189.db2.gz VPTACZBDYVACOY-ZETCQYMHSA-N -1 0 316.310 -0.062 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](S(=O)(=O)N2[C@@H]3CC[C@H]2CNC(=O)C3)C1 ZINC001609034539 1019315418 /nfs/dbraw/zinc/31/54/18/1019315418.db2.gz VBAYRIFGKPIIDQ-IMSYWVGJSA-N -1 0 302.352 -0.468 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)C1 ZINC001609034851 1019315640 /nfs/dbraw/zinc/31/56/40/1019315640.db2.gz GCAUNVKODBZRFT-GDPRMGEGSA-N -1 0 324.333 -0.338 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)NCC[C@H]3CNC(=O)C3)C2)C1 ZINC001609036559 1019315886 /nfs/dbraw/zinc/31/58/86/1019315886.db2.gz XWMPHEXAWWHNOJ-YMTOWFKASA-N -1 0 324.337 -0.472 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCC[C@H]2CNC(=O)C2)C1 ZINC001609036341 1019316291 /nfs/dbraw/zinc/31/62/91/1019316291.db2.gz SHSQHPMVBHVLHV-BBBLOLIVSA-N -1 0 304.368 -0.315 20 0 DBADRM O=C([O-])c1cnc(N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)nc1 ZINC001609040041 1019316353 /nfs/dbraw/zinc/31/63/53/1019316353.db2.gz NJUNCWVYTPTABY-NXEZZACHSA-N -1 0 319.321 -0.534 20 0 DBADRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)CN1CCCCC(=O)C1=O ZINC001609037644 1019316459 /nfs/dbraw/zinc/31/64/59/1019316459.db2.gz BLAOEOOORUHEFY-MRVPVSSYSA-N -1 0 318.276 -0.111 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N[C@H]1CCNC(=O)CC1 ZINC001609037257 1019316859 /nfs/dbraw/zinc/31/68/59/1019316859.db2.gz QSPITOVIOUECOK-SSDOTTSWSA-N -1 0 302.308 -0.075 20 0 DBADRM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)CN1CCCCC(=O)C1=O ZINC001609037645 1019317207 /nfs/dbraw/zinc/31/72/07/1019317207.db2.gz BLAOEOOORUHEFY-QMMMGPOBSA-N -1 0 318.276 -0.111 20 0 DBADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(CC(=O)N2CCNC(=O)C2)C1 ZINC001609040824 1019317967 /nfs/dbraw/zinc/31/79/67/1019317967.db2.gz ZQJCGZZMLJGNGR-LLVKDONJSA-N -1 0 323.271 -0.716 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)Cc2cnn(C)c2)c1[O-] ZINC001574946538 1019321642 /nfs/dbraw/zinc/32/16/42/1019321642.db2.gz DLCGBPYZHSYMTA-UHFFFAOYSA-N -1 0 306.326 -0.754 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)N1CC2(C1)CNC(=O)O2 ZINC001609045478 1019321965 /nfs/dbraw/zinc/32/19/65/1019321965.db2.gz XYEZQKFVUWEDEV-UHFFFAOYSA-N -1 0 318.332 -0.071 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C[C@@H]2C(=O)Nc3ccc(F)cc32)C1 ZINC001609046100 1019322190 /nfs/dbraw/zinc/32/21/90/1019322190.db2.gz AGFSHLWPRYNKOF-VIFPVBQESA-N -1 0 308.265 -0.091 20 0 DBADRM O=C([O-])c1csc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC001609045079 1019322564 /nfs/dbraw/zinc/32/25/64/1019322564.db2.gz JCBHNEBVPYBWSP-SECBINFHSA-N -1 0 309.347 -0.411 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cn1 ZINC001609044761 1019322610 /nfs/dbraw/zinc/32/26/10/1019322610.db2.gz WDYUSPAVRVQYAB-AWEZNQCLSA-N -1 0 318.289 -0.406 20 0 DBADRM O=C([O-])C12CC(C(=O)N3CCC[C@@]4(C3)NC(=O)NC4=O)(C1)C2 ZINC001609044427 1019322633 /nfs/dbraw/zinc/32/26/33/1019322633.db2.gz PRAVDYWUUFGLHP-RUXDESIVSA-N -1 0 307.306 -0.558 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)on1 ZINC001609044813 1019322784 /nfs/dbraw/zinc/32/27/84/1019322784.db2.gz YFAILVOUVTVYAW-DAZKTRTLSA-N -1 0 322.277 -0.519 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)C[C@@H]2Oc3ccccc3NC2=O)C1 ZINC001609046348 1019322935 /nfs/dbraw/zinc/32/29/35/1019322935.db2.gz KGEDOUPLURAPPG-NHYWBVRUSA-N -1 0 320.301 -0.176 20 0 DBADRM C[C@@H](C(=O)N1CC([C@@H]2CCOC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068153 1019327869 /nfs/dbraw/zinc/32/78/69/1019327869.db2.gz MCDFIQQZDFJOQZ-DTWKUNHWSA-N -1 0 318.341 -0.486 20 0 DBADRM C[C@@H](C(=O)N1CCCSCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068500 1019329060 /nfs/dbraw/zinc/32/90/60/1019329060.db2.gz KGBAARDPYLFYCN-QMMMGPOBSA-N -1 0 308.371 -0.015 20 0 DBADRM C[C@@H](C(=O)N[C@]1(C)CCCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609069188 1019329223 /nfs/dbraw/zinc/32/92/23/1019329223.db2.gz SKNFFFVYGYAOSW-QPUJVOFHSA-N -1 0 306.330 -0.296 20 0 DBADRM C[C@@H](C(=O)N1Cc2cccnc2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068224 1019331709 /nfs/dbraw/zinc/33/17/09/1019331709.db2.gz GSBAHBMCFZAKDG-QMMMGPOBSA-N -1 0 311.309 -0.043 20 0 DBADRM C[C@H](C(=O)N[C@@]1(C)CCCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609069186 1019332320 /nfs/dbraw/zinc/33/23/20/1019332320.db2.gz SKNFFFVYGYAOSW-PELKAZGASA-N -1 0 306.330 -0.296 20 0 DBADRM C[C@@H](C(=O)OCC(=O)C1CCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609071827 1019332705 /nfs/dbraw/zinc/33/27/05/1019332705.db2.gz RJKJEYRETYEVSW-ZETCQYMHSA-N -1 0 305.298 -0.068 20 0 DBADRM C[C@H](C(=O)N[C@](C)(CO)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068501 1019333598 /nfs/dbraw/zinc/33/35/98/1019333598.db2.gz KGRJRUDOFFPSSW-JMCQJSRRSA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@@H](C1CC1)N(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001609108786 1019340752 /nfs/dbraw/zinc/34/07/52/1019340752.db2.gz VNNFEAQNVZLCQT-ZETCQYMHSA-N -1 0 305.342 -0.501 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)c1nncn1C ZINC001609125747 1019350268 /nfs/dbraw/zinc/35/02/68/1019350268.db2.gz OKEWTXRFMQOJFE-ZCFIWIBFSA-N -1 0 324.326 -0.372 20 0 DBADRM O=C(CCC1CCC1)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001575000478 1019352171 /nfs/dbraw/zinc/35/21/71/1019352171.db2.gz RMFUFVZZMZZWAU-UHFFFAOYSA-N -1 0 311.342 -0.498 20 0 DBADRM C[C@@](O)(C(=O)NCCn1cnc(-c2nnn[n-]2)n1)C1CCC1 ZINC001609126726 1019352306 /nfs/dbraw/zinc/35/23/06/1019352306.db2.gz GXCWKXCDKPAJHJ-LBPRGKRZSA-N -1 0 306.330 -0.875 20 0 DBADRM C[C@H]1C[C@H](C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001609155813 1019355585 /nfs/dbraw/zinc/35/55/85/1019355585.db2.gz UQTRITHLLJBBOA-DTWKUNHWSA-N -1 0 306.330 -0.611 20 0 DBADRM C/C=C(\C)C(=O)NCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001575007281 1019356012 /nfs/dbraw/zinc/35/60/12/1019356012.db2.gz MHSRNLLPNKCNIH-YCRREMRBSA-N -1 0 318.337 -0.730 20 0 DBADRM C[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001609156939 1019357420 /nfs/dbraw/zinc/35/74/20/1019357420.db2.gz FZLXGSSURHFBJJ-JGVFFNPUSA-N -1 0 310.339 -0.595 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)[C@H]1CO ZINC001609169178 1019361905 /nfs/dbraw/zinc/36/19/05/1019361905.db2.gz VXGUIRXJBMKPNC-YUMQZZPRSA-N -1 0 313.339 -0.149 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@@H](C)Cc2c[nH]cn2)c1[O-] ZINC001575026784 1019362302 /nfs/dbraw/zinc/36/23/02/1019362302.db2.gz OJMBHVNHFHRQAJ-QMMMGPOBSA-N -1 0 320.353 -0.128 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@H](C)Cc2c[nH]cn2)c1[O-] ZINC001575026783 1019362889 /nfs/dbraw/zinc/36/28/89/1019362889.db2.gz OJMBHVNHFHRQAJ-MRVPVSSYSA-N -1 0 320.353 -0.128 20 0 DBADRM O=C([O-])C1(NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CCC1 ZINC001575043190 1019370598 /nfs/dbraw/zinc/37/05/98/1019370598.db2.gz KOASJIRRZJBONW-ZETCQYMHSA-N -1 0 309.282 -0.876 20 0 DBADRM O=C([O-])[C@H](COCc1ccccc1)NC(=O)[C@H]1COC(=O)N1 ZINC001575043273 1019371881 /nfs/dbraw/zinc/37/18/81/1019371881.db2.gz XIHHOURFMJRORD-MNOVXSKESA-N -1 0 308.290 -0.119 20 0 DBADRM CCC[C@]1(C)NC(=O)N(CCn2cnc(-c3nnn[n-]3)n2)C1=O ZINC001609206369 1019375281 /nfs/dbraw/zinc/37/52/81/1019375281.db2.gz WEUIHEYBAXBNIY-LBPRGKRZSA-N -1 0 319.329 -0.431 20 0 DBADRM CCCCC(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001505612598 1019379027 /nfs/dbraw/zinc/37/90/27/1019379027.db2.gz VGSIUEGFAFORJD-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM CCOCCN(CC)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609240528 1019382055 /nfs/dbraw/zinc/38/20/55/1019382055.db2.gz NEUUBOHJNUFXIR-UHFFFAOYSA-N -1 0 323.361 -0.474 20 0 DBADRM CCOC[C@H](O)Cn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O ZINC001609240069 1019383942 /nfs/dbraw/zinc/38/39/42/1019383942.db2.gz IPCNXUNLEQMSBX-SECBINFHSA-N -1 0 323.309 -0.788 20 0 DBADRM CCOC(=O)CCC(=O)Cn1cnc(-c2nnn[n-]2)cc1=O ZINC001609232437 1019385211 /nfs/dbraw/zinc/38/52/11/1019385211.db2.gz OWYVJPLCZGBXID-UHFFFAOYSA-N -1 0 306.282 -0.664 20 0 DBADRM CCOCCCNS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001609240571 1019386125 /nfs/dbraw/zinc/38/61/25/1019386125.db2.gz PRYDVTMTLKWCCT-UHFFFAOYSA-N -1 0 312.355 -0.033 20 0 DBADRM CCOCCO[N-]C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001609241365 1019393369 /nfs/dbraw/zinc/39/33/69/1019393369.db2.gz RWBKHUMHKHXWHM-NSHDSACASA-N -1 0 307.310 -0.016 20 0 DBADRM CN(C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC001609269009 1019398788 /nfs/dbraw/zinc/39/87/88/1019398788.db2.gz WDTBSAWOVSZNTQ-BQYQJAHWSA-N -1 0 322.350 -0.198 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)Cn1cnnc1-c1nnn[n-]1 ZINC001609292872 1019413195 /nfs/dbraw/zinc/41/31/95/1019413195.db2.gz AZULNETZSIQVAC-QMMMGPOBSA-N -1 0 322.329 -0.838 20 0 DBADRM COC(=O)[C@@H](CC(C)C)NC(=O)Cn1cnnc1-c1nnn[n-]1 ZINC001609292871 1019414741 /nfs/dbraw/zinc/41/47/41/1019414741.db2.gz AZULNETZSIQVAC-MRVPVSSYSA-N -1 0 322.329 -0.838 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2cnn(C)c2)c1 ZINC001609302072 1019421413 /nfs/dbraw/zinc/42/14/13/1019421413.db2.gz RAOPDBUYHYBLDJ-UHFFFAOYSA-N -1 0 315.293 -0.403 20 0 DBADRM COC[C@H]1CCCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001609319905 1019427385 /nfs/dbraw/zinc/42/73/85/1019427385.db2.gz PTOLZADGPBJMKQ-UWVGGRQHSA-N -1 0 320.357 -0.096 20 0 DBADRM COCCc1noc(Cn2cc(C)cc(-c3nnn[n-]3)c2=O)n1 ZINC001609329804 1019434865 /nfs/dbraw/zinc/43/48/65/1019434865.db2.gz BCVXFXWJZFDNLH-UHFFFAOYSA-N -1 0 317.309 -0.043 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001609328023 1019439088 /nfs/dbraw/zinc/43/90/88/1019439088.db2.gz VHFKVDYSRWSKOX-UHFFFAOYSA-N -1 0 324.272 -0.362 20 0 DBADRM COc1cncc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[nH]n2)c1 ZINC001609365124 1019446062 /nfs/dbraw/zinc/44/60/62/1019446062.db2.gz HGKJUSVTZUBKSX-UHFFFAOYSA-N -1 0 322.310 -0.206 20 0 DBADRM Cc1ccc(C(=O)[N-]S(=O)(=O)N(C)C)cc1-c1nn[nH]n1 ZINC001609419058 1019455864 /nfs/dbraw/zinc/45/58/64/1019455864.db2.gz JJSMBBNNRMIZNY-UHFFFAOYSA-N -1 0 310.339 -0.289 20 0 DBADRM Cc1ccn(CN(C)[C@@H]2CCNC2=O)c(=O)c1-c1nnn[n-]1 ZINC001609437486 1019456695 /nfs/dbraw/zinc/45/66/95/1019456695.db2.gz IQEUTDFVGRIZPK-SECBINFHSA-N -1 0 303.326 -0.885 20 0 DBADRM Cc1cccn2c(=O)cc(Cn3cnc(-c4nnn[n-]4)n3)nc12 ZINC001609436690 1019459603 /nfs/dbraw/zinc/45/96/03/1019459603.db2.gz IMQDCFKGKBLNQF-UHFFFAOYSA-N -1 0 309.293 -0.177 20 0 DBADRM Cc1ccn(CN(C)[C@H]2CCNC2=O)c(=O)c1-c1nnn[n-]1 ZINC001609437487 1019459807 /nfs/dbraw/zinc/45/98/07/1019459807.db2.gz IQEUTDFVGRIZPK-VIFPVBQESA-N -1 0 303.326 -0.885 20 0 DBADRM Cc1cnc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)nc1 ZINC001609440613 1019460043 /nfs/dbraw/zinc/46/00/43/1019460043.db2.gz BXKJNDADGYBPQN-SSDOTTSWSA-N -1 0 300.286 -0.244 20 0 DBADRM Cc1nn(CCCC(=O)NC(N)=O)c(=O)c(-c2nnn[n-]2)c1C ZINC001609459598 1019469218 /nfs/dbraw/zinc/46/92/18/1019469218.db2.gz NSKDOIGMSMBBAI-UHFFFAOYSA-N -1 0 320.313 -0.985 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2CCOC2(C)C)n(C)c1=O ZINC001609476610 1019470750 /nfs/dbraw/zinc/47/07/50/1019470750.db2.gz NIVGQHHUHCAVGB-ZETCQYMHSA-N -1 0 321.341 -0.757 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2CCOC2(C)C)n(C)c1=O ZINC001609476609 1019471397 /nfs/dbraw/zinc/47/13/97/1019471397.db2.gz NIVGQHHUHCAVGB-SSDOTTSWSA-N -1 0 321.341 -0.757 20 0 DBADRM Cn1nccc1[C@H](NCc1nc(-c2nn[nH]n2)cs1)C(=O)[O-] ZINC001609482798 1019479490 /nfs/dbraw/zinc/47/94/90/1019479490.db2.gz SSWFFRWUCOWFSX-VIFPVBQESA-N -1 0 320.338 -0.028 20 0 DBADRM NC(=O)[C@@H](NCCn1cnc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001609501225 1019491466 /nfs/dbraw/zinc/49/14/66/1019491466.db2.gz IRVAFBNIBNISOW-JTQLQIEISA-N -1 0 313.325 -0.726 20 0 DBADRM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)NC1CC1 ZINC001609527431 1019503134 /nfs/dbraw/zinc/50/31/34/1019503134.db2.gz ASFPVBWAJYGPLP-UHFFFAOYSA-N -1 0 312.311 -0.983 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC1CCC(CO)CC1 ZINC001609537269 1019506114 /nfs/dbraw/zinc/50/61/14/1019506114.db2.gz DUVNAAGXLIUSGH-UHFFFAOYSA-N -1 0 306.330 -0.875 20 0 DBADRM O=C(Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O)C1CCOCC1 ZINC001609537800 1019507299 /nfs/dbraw/zinc/50/72/99/1019507299.db2.gz SEGVVBGBGSMVQS-UHFFFAOYSA-N -1 0 306.282 -0.875 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cccc(CO)c1 ZINC001609552179 1019508864 /nfs/dbraw/zinc/50/88/64/1019508864.db2.gz AQKRAPQCDVUHMB-UHFFFAOYSA-N -1 0 314.309 -0.620 20 0 DBADRM O=C([N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1)C1CCC1 ZINC001609560485 1019513220 /nfs/dbraw/zinc/51/32/20/1019513220.db2.gz QQANZXQAOKKLAP-UHFFFAOYSA-N -1 0 308.323 -0.133 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NC[C@H]1CCN1C(=O)C1CC1 ZINC001505788751 1019514692 /nfs/dbraw/zinc/51/46/92/1019514692.db2.gz DURDXVZBDHGCHD-SECBINFHSA-N -1 0 321.337 -0.658 20 0 DBADRM CC(C)C(=O)N1CC[C@@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001505789155 1019515124 /nfs/dbraw/zinc/51/51/24/1019515124.db2.gz NKOIWWDNTFEDGE-SECBINFHSA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@@H](NC(=O)Cn1nnc(N)n1)c1cccc(-c2nn[nH]n2)c1 ZINC001575297778 1019519237 /nfs/dbraw/zinc/51/92/37/1019519237.db2.gz KANYNHAEOLSMDP-SSDOTTSWSA-N -1 0 314.313 -0.687 20 0 DBADRM C[C@H](NC(=O)N[C@@H]1COC[C@H]1O)c1ccc(-c2nn[nH]n2)cc1 ZINC001575297751 1019520389 /nfs/dbraw/zinc/52/03/89/1019520389.db2.gz JJYGOFAWEYCHKI-XXILOJSOSA-N -1 0 318.337 -0.013 20 0 DBADRM C[C@@H](NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C1(C)CC1 ZINC001575295438 1019521451 /nfs/dbraw/zinc/52/14/51/1019521451.db2.gz XDEHTDHASMCSSC-SSDOTTSWSA-N -1 0 319.325 -0.566 20 0 DBADRM CC(=O)N1CC(C(=O)NCc2c(C)nn(CC(=O)[O-])c2C)C1 ZINC001609584381 1019522103 /nfs/dbraw/zinc/52/21/03/1019522103.db2.gz QTNUIOMVEDOYKQ-UHFFFAOYSA-N -1 0 308.338 -0.321 20 0 DBADRM C[C@@H](NC(=O)Nc1ccnc(-c2nn[nH]n2)c1)C(=O)NCCF ZINC001575305686 1019524351 /nfs/dbraw/zinc/52/43/51/1019524351.db2.gz XNUIBYQGPMPHQW-SSDOTTSWSA-N -1 0 322.304 -0.143 20 0 DBADRM O=S(=O)(NCC1(CCO)CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001609594469 1019525324 /nfs/dbraw/zinc/52/53/24/1019525324.db2.gz MWWKRSCVMFFYNK-UHFFFAOYSA-N -1 0 313.339 -0.099 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)C2(C(=O)[O-])CC2)CC1 ZINC001609599222 1019529683 /nfs/dbraw/zinc/52/96/83/1019529683.db2.gz NAEORIJSSCQYOG-VIFPVBQESA-N -1 0 312.322 -0.526 20 0 DBADRM O=c1cc(-c2nnn[n-]2)ncn1C[C@@H](O)COCc1ccco1 ZINC001609604773 1019530403 /nfs/dbraw/zinc/53/04/03/1019530403.db2.gz NCPWKMUNQUAJOU-SECBINFHSA-N -1 0 318.293 -0.406 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H](CO)C1 ZINC001609597299 1019530511 /nfs/dbraw/zinc/53/05/11/1019530511.db2.gz PBSUTQJXFDLQIF-MRVPVSSYSA-N -1 0 313.339 -0.147 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001609603365 1019531317 /nfs/dbraw/zinc/53/13/17/1019531317.db2.gz YCKJFUJSCFBLPE-UHFFFAOYSA-N -1 0 323.305 -0.440 20 0 DBADRM CCC1(C(=O)N2CC[C@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001505819639 1019532391 /nfs/dbraw/zinc/53/23/91/1019532391.db2.gz WLUUDZAJPGMRGO-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001609622422 1019532834 /nfs/dbraw/zinc/53/28/34/1019532834.db2.gz WCJLNSMAGVPJBS-UTUOFQBUSA-N -1 0 300.355 -0.169 20 0 DBADRM c1cnc(N2CCC[C@@H](Nc3ccnc(-c4nnn[n-]4)n3)C2)nc1 ZINC001609619366 1019533142 /nfs/dbraw/zinc/53/31/42/1019533142.db2.gz NONCYUBOASTBIO-SNVBAGLBSA-N -1 0 324.352 -0.051 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001609621481 1019535934 /nfs/dbraw/zinc/53/59/34/1019535934.db2.gz JXHGUWQBVYOQFR-UHFFFAOYSA-N -1 0 310.310 -0.398 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001609635276 1019538284 /nfs/dbraw/zinc/53/82/84/1019538284.db2.gz ULWZQWSKUZEHCP-UWVGGRQHSA-N -1 0 306.384 -0.525 20 0 DBADRM C[C@@H](C(=O)NC(N)=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001609634749 1019539373 /nfs/dbraw/zinc/53/93/73/1019539373.db2.gz LCUGXXSOTIYBIK-JGVFFNPUSA-N -1 0 310.314 -0.803 20 0 DBADRM C[C@H](C(=O)N[C@H](CF)C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001609634759 1019540488 /nfs/dbraw/zinc/54/04/88/1019540488.db2.gz LPAUDISPBINYTO-VXNVDRBHSA-N -1 0 311.331 -0.492 20 0 DBADRM CC(C)(C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])N1CCOCC1 ZINC001609647725 1019541500 /nfs/dbraw/zinc/54/15/00/1019541500.db2.gz NBRMWWHUOOOKQF-NSHDSACASA-N -1 0 310.354 -0.368 20 0 DBADRM CC(C)(C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)N1CCOCC1 ZINC001609647341 1019542853 /nfs/dbraw/zinc/54/28/53/1019542853.db2.gz FKWLJTQUTFOWTL-QWRGUYRKSA-N -1 0 300.355 -0.609 20 0 DBADRM CC(C)(C)OC(=O)NC1(C(=O)NC[C@H](O)C(=O)[O-])CCC1 ZINC001609664977 1019543911 /nfs/dbraw/zinc/54/39/11/1019543911.db2.gz NPNJRRJZKVMDDD-QMMMGPOBSA-N -1 0 302.327 -0.005 20 0 DBADRM CC(C)(C)OC(=O)N1CCCN(C(=O)CO)[C@@H](C(=O)[O-])C1 ZINC001609662718 1019543934 /nfs/dbraw/zinc/54/39/34/1019543934.db2.gz SBJZWNQPBWDSSL-SECBINFHSA-N -1 0 302.327 -0.099 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1CN(CCC(=O)NCC(=O)[O-])CCO1 ZINC001609658568 1019544279 /nfs/dbraw/zinc/54/42/79/1019544279.db2.gz FAADYFFAOGJFSN-SNVBAGLBSA-N -1 0 316.354 -0.380 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001609662942 1019544391 /nfs/dbraw/zinc/54/43/91/1019544391.db2.gz MTUKEFBPNIQTCS-UHFFFAOYSA-N -1 0 321.333 -0.357 20 0 DBADRM CC(C)(C)OC(=O)N(CC(=O)N[C@@H](CO)C(=O)[O-])C1CC1 ZINC001609659708 1019544437 /nfs/dbraw/zinc/54/44/37/1019544437.db2.gz FCJLPZXCNPAGOX-VIFPVBQESA-N -1 0 302.327 -0.052 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)N1CC(O)C1 ZINC001609664892 1019545271 /nfs/dbraw/zinc/54/52/71/1019545271.db2.gz JSQDLLAQOGGPTD-VIFPVBQESA-N -1 0 302.327 -0.052 20 0 DBADRM CC(C)(NC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2)C(=O)[O-] ZINC001609679089 1019546950 /nfs/dbraw/zinc/54/69/50/1019546950.db2.gz YVVWPXLVSZWXNO-UHFFFAOYSA-N -1 0 321.289 -0.065 20 0 DBADRM CC(C)(CS(=O)(=O)NCC1(C(N)=O)CCOCC1)C(=O)[O-] ZINC001609678170 1019547813 /nfs/dbraw/zinc/54/78/13/1019547813.db2.gz VKELPSDEKXXFNP-UHFFFAOYSA-N -1 0 322.383 -0.701 20 0 DBADRM CC(C)(O)C1CN(C(=O)C(=O)N2CCC(CC(=O)[O-])CC2)C1 ZINC001609681190 1019548560 /nfs/dbraw/zinc/54/85/60/1019548560.db2.gz QYTZNSWTNVUZOZ-UHFFFAOYSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)(CNC(=O)c1nc(N)nc(N2CCOCC2)n1)C(=O)[O-] ZINC001609676342 1019548590 /nfs/dbraw/zinc/54/85/90/1019548590.db2.gz NOENPZBTYJXJBY-UHFFFAOYSA-N -1 0 324.341 -0.869 20 0 DBADRM CC(C)(CS(=O)(=O)NCc1ccc(C(N)=O)nc1)C(=O)[O-] ZINC001609677909 1019548664 /nfs/dbraw/zinc/54/86/64/1019548664.db2.gz JTEJZTQMACLDQV-UHFFFAOYSA-N -1 0 315.351 -0.289 20 0 DBADRM CC(C)(CO)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001609677303 1019548745 /nfs/dbraw/zinc/54/87/45/1019548745.db2.gz OOWWQRFGBRPHOH-UHFFFAOYSA-N -1 0 310.306 -0.024 20 0 DBADRM CC(C)CN(CC(N)=O)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001609697699 1019550664 /nfs/dbraw/zinc/55/06/64/1019550664.db2.gz FAPWVNMVZKYGQS-UHFFFAOYSA-N -1 0 315.351 -0.088 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001609697974 1019551833 /nfs/dbraw/zinc/55/18/33/1019551833.db2.gz CVVUJEUCEKSXJN-AXFHLTTASA-N -1 0 319.379 -0.098 20 0 DBADRM CC(C)CCNC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001609696559 1019552109 /nfs/dbraw/zinc/55/21/09/1019552109.db2.gz STNSQQGBUAFLFW-NSHDSACASA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)N(C[C@H](O)CO)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001609704716 1019552608 /nfs/dbraw/zinc/55/26/08/1019552608.db2.gz SFUKNCMJMNHVBR-LBPRGKRZSA-N -1 0 324.333 -0.087 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)NCCN1CCS(=O)(=O)CC1 ZINC001609733137 1019554471 /nfs/dbraw/zinc/55/44/71/1019554471.db2.gz AORUGVHKJPVVSB-SNVBAGLBSA-N -1 0 306.384 -0.666 20 0 DBADRM CC(C)[C@H](NC(=O)Cn1cnc2c(c1=O)COCC2)C(=O)[O-] ZINC001609717475 1019554746 /nfs/dbraw/zinc/55/47/46/1019554746.db2.gz QKRYJMSNQGUJLV-LBPRGKRZSA-N -1 0 309.322 -0.459 20 0 DBADRM C[C@H](CS(C)(=O)=O)NS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001609747398 1019557794 /nfs/dbraw/zinc/55/77/94/1019557794.db2.gz BNYVEUUHCSKECB-SSDOTTSWSA-N -1 0 301.386 -0.550 20 0 DBADRM C[C@@H](CN1CCOCC1)N(C)Cn1nc(C(=O)[O-])ccc1=O ZINC001609743764 1019557950 /nfs/dbraw/zinc/55/79/50/1019557950.db2.gz ULXIVVMZQDOJKV-NSHDSACASA-N -1 0 310.354 -0.449 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001609748683 1019558797 /nfs/dbraw/zinc/55/87/97/1019558797.db2.gz VBRCZCKWOWSXLZ-QMMMGPOBSA-N -1 0 313.397 -0.406 20 0 DBADRM C[C@@H](CN(C)S(=O)(=O)CCCN1CCOCC1)C(=O)[O-] ZINC001609741491 1019559204 /nfs/dbraw/zinc/55/92/04/1019559204.db2.gz HCIBMVSPAIKFSP-NSHDSACASA-N -1 0 308.400 -0.309 20 0 DBADRM C[C@H](CS(=O)(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001609750051 1019559319 /nfs/dbraw/zinc/55/93/19/1019559319.db2.gz MQAXPMSWKZIDHM-BDAKNGLRSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H](CN(C)C(=O)C1(S(C)(=O)=O)CCOCC1)C(=O)[O-] ZINC001609741439 1019559753 /nfs/dbraw/zinc/55/97/53/1019559753.db2.gz ZAGHBKASUVUZLV-VIFPVBQESA-N -1 0 307.368 -0.241 20 0 DBADRM C[C@H](CNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)Cn1cccn1 ZINC001609745639 1019559868 /nfs/dbraw/zinc/55/98/68/1019559868.db2.gz YQBGIVJOSSWWJU-WOPDTQHZSA-N -1 0 310.354 -0.004 20 0 DBADRM CC(C)(C)CN(CCO)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001609755012 1019561471 /nfs/dbraw/zinc/56/14/71/1019561471.db2.gz IDCRWEYKHUDSOQ-SNVBAGLBSA-N -1 0 316.354 -0.835 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001609771819 1019561578 /nfs/dbraw/zinc/56/15/78/1019561578.db2.gz PHFGRAMUVPJYKT-WCBMZHEXSA-N -1 0 323.305 -0.800 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001609751894 1019562620 /nfs/dbraw/zinc/56/26/20/1019562620.db2.gz SCMINQQUBRWJQN-HZMBPMFUSA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C1CCOCC1 ZINC001609756781 1019562735 /nfs/dbraw/zinc/56/27/35/1019562735.db2.gz HLKOSZGPYRYFIY-ONGXEEELSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@@](NC(=O)c1coc(S(N)(=O)=O)c1)(C(=O)[O-])C1CC1 ZINC001609773029 1019563017 /nfs/dbraw/zinc/56/30/17/1019563017.db2.gz XDYGCEQUDMATFO-NSHDSACASA-N -1 0 302.308 -0.090 20 0 DBADRM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001609755454 1019563112 /nfs/dbraw/zinc/56/31/12/1019563112.db2.gz WQPULXONGVTWMN-FXBDTBDDSA-N -1 0 302.327 -0.510 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001609788029 1019564214 /nfs/dbraw/zinc/56/42/14/1019564214.db2.gz HEUBEEAFXBYGRT-CQSZACIVSA-N -1 0 320.305 -0.481 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001609785778 1019564295 /nfs/dbraw/zinc/56/42/95/1019564295.db2.gz JPMCTRGGXIGJII-VIFPVBQESA-N -1 0 314.363 -0.019 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001609787304 1019564424 /nfs/dbraw/zinc/56/44/24/1019564424.db2.gz BCZFMLVIPPYTLM-GOMXZESMSA-N -1 0 306.318 -0.612 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001609786493 1019565267 /nfs/dbraw/zinc/56/52/67/1019565267.db2.gz NYKMRWXUSMIJEL-ZCFIWIBFSA-N -1 0 302.308 -0.033 20 0 DBADRM C[C@H](O)CN1CCN(S(=O)(=O)CCCC(=O)[O-])[C@@H](C)C1 ZINC001609790166 1019565509 /nfs/dbraw/zinc/56/55/09/1019565509.db2.gz CRHUCVDZULNZCS-QWRGUYRKSA-N -1 0 308.400 -0.432 20 0 DBADRM C[C@@H](O)CN(CCO)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001609787816 1019565694 /nfs/dbraw/zinc/56/56/94/1019565694.db2.gz SJBYDBYSCJTISK-MRVPVSSYSA-N -1 0 317.367 -0.616 20 0 DBADRM C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC001609790224 1019565974 /nfs/dbraw/zinc/56/59/74/1019565974.db2.gz ZGXUUGJLIJBIDD-GHMZBOCLSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)CC1 ZINC001609788352 1019566096 /nfs/dbraw/zinc/56/60/96/1019566096.db2.gz HYNLEGOOUZWWEN-SECBINFHSA-N -1 0 322.321 -0.163 20 0 DBADRM C[C@@H](O)CN(C)C(=O)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001609788547 1019566264 /nfs/dbraw/zinc/56/62/64/1019566264.db2.gz WUASXEBWYSLSQP-RNFRBKRXSA-N -1 0 315.351 -0.142 20 0 DBADRM C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)s1)C(=O)C(=O)[O-] ZINC001609797952 1019566775 /nfs/dbraw/zinc/56/67/75/1019566775.db2.gz PQIKNHMZEOOBKV-SCSAIBSYSA-N -1 0 307.305 -0.406 20 0 DBADRM C[C@H](OC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)C(=O)C(=O)[O-] ZINC001609798202 1019566794 /nfs/dbraw/zinc/56/67/94/1019566794.db2.gz GBGINCUMSGGGDZ-ZETCQYMHSA-N -1 0 320.257 -0.313 20 0 DBADRM C[C@@H](OC(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)NCC(=O)[O-] ZINC001609798780 1019567035 /nfs/dbraw/zinc/56/70/35/1019567035.db2.gz KLDIINHZUJGROY-MRVPVSSYSA-N -1 0 321.289 -0.126 20 0 DBADRM C[C@H](OC(=O)Cc1nc(C2CC2)nn1C)C(=O)NCC(=O)[O-] ZINC001609800050 1019567760 /nfs/dbraw/zinc/56/77/60/1019567760.db2.gz SSHWWHABNMSMGM-ZETCQYMHSA-N -1 0 310.310 -0.633 20 0 DBADRM C[C@H](OC(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)NCC(=O)[O-] ZINC001609798789 1019567768 /nfs/dbraw/zinc/56/77/68/1019567768.db2.gz KLDIINHZUJGROY-QMMMGPOBSA-N -1 0 321.289 -0.126 20 0 DBADRM C[C@@H](OC(=O)C[C@@H]1NC(=O)NC1=O)C(=O)C(C)(C)C(=O)[O-] ZINC001609800462 1019567926 /nfs/dbraw/zinc/56/79/26/1019567926.db2.gz UYYSCGYFWRRUSZ-RITPCOANSA-N -1 0 300.267 -0.804 20 0 DBADRM C[C@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)NCC(=O)[O-] ZINC001609798379 1019568213 /nfs/dbraw/zinc/56/82/13/1019568213.db2.gz SUORKTQHOMFONQ-ZETCQYMHSA-N -1 0 309.278 -0.077 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001609801729 1019568279 /nfs/dbraw/zinc/56/82/79/1019568279.db2.gz JYMNROQHNICHOE-DCAQKATOSA-N -1 0 314.338 -0.628 20 0 DBADRM CC1(C)CN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCO1 ZINC001609816985 1019570240 /nfs/dbraw/zinc/57/02/40/1019570240.db2.gz RNHPSVBNKXFUBF-SNVBAGLBSA-N -1 0 314.338 -0.674 20 0 DBADRM CC1(C)[C@@H]2CN(C(=O)C(=O)N3CCO[C@H](CC(=O)[O-])C3)C[C@@H]21 ZINC001609814020 1019570285 /nfs/dbraw/zinc/57/02/85/1019570285.db2.gz KOMFAQTWYNKMEF-MXWKQRLJSA-N -1 0 310.350 -0.197 20 0 DBADRM CC1(C)C[C@@H]1CNC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001609815495 1019571269 /nfs/dbraw/zinc/57/12/69/1019571269.db2.gz VJFGJTMAUHVKHB-GHMZBOCLSA-N -1 0 312.366 -0.167 20 0 DBADRM CC1(C)SC[C@@H]1NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001609819594 1019573315 /nfs/dbraw/zinc/57/33/15/1019573315.db2.gz LBGGTXOWXILNDT-YIZRAAEISA-N -1 0 316.379 -0.709 20 0 DBADRM CC(C)(CS(=O)(=O)N[C@]1(C)CCS(=O)(=O)C1)C(=O)[O-] ZINC001609825542 1019573427 /nfs/dbraw/zinc/57/34/27/1019573427.db2.gz YGOMSKBXYJVEEO-SNVBAGLBSA-N -1 0 313.397 -0.406 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C1(S(C)(=O)=O)CCOCC1 ZINC001609831419 1019573855 /nfs/dbraw/zinc/57/38/55/1019573855.db2.gz BXGHRICIDNYKLW-VHSXEESVSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@@]1(CO)CCCN1C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001609822025 1019574042 /nfs/dbraw/zinc/57/40/42/1019574042.db2.gz JYCRFSJICKZUSM-YGRLFVJLSA-N -1 0 314.338 -0.938 20 0 DBADRM C[C@]1(CCC(=O)[O-])NC(=O)N(CC(=O)N2CCOCC2)C1=O ZINC001609820608 1019574332 /nfs/dbraw/zinc/57/43/32/1019574332.db2.gz BRWGLIDVACQOFF-CYBMUJFWSA-N -1 0 313.310 -0.980 20 0 DBADRM CC1=C(C)CN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1 ZINC001609829027 1019574427 /nfs/dbraw/zinc/57/44/27/1019574427.db2.gz VXSZPUNTHFKQNS-NEPJUHHUSA-N -1 0 310.350 -0.151 20 0 DBADRM C[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)C(=O)NCc1ccco1 ZINC001575438987 1019574756 /nfs/dbraw/zinc/57/47/56/1019574756.db2.gz RMXFRAZAXVLCPR-MRVPVSSYSA-N -1 0 314.309 -0.212 20 0 DBADRM C[C@]1(CCC(=O)[O-])NC(=O)N(CN2CCC(C)(O)CC2)C1=O ZINC001609824691 1019574839 /nfs/dbraw/zinc/57/48/39/1019574839.db2.gz FHCDFTJBFCNFML-CQSZACIVSA-N -1 0 313.354 -0.034 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001609830629 1019575058 /nfs/dbraw/zinc/57/50/58/1019575058.db2.gz NTJSZBSPWPBBLH-UWVGGRQHSA-N -1 0 323.349 -0.953 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCc1ccc(C(N)=O)o1 ZINC001609837974 1019576717 /nfs/dbraw/zinc/57/67/17/1019576717.db2.gz XCZCBYFAPZQXIR-CBAPKCEASA-N -1 0 323.305 -0.684 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCN(CC2CC2)CC1 ZINC001609835116 1019577224 /nfs/dbraw/zinc/57/72/24/1019577224.db2.gz PGXBQYJPPSNYPN-WCQYABFASA-N -1 0 323.393 -0.138 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@@H](C(=O)[O-])C1 ZINC001609858970 1019578427 /nfs/dbraw/zinc/57/84/27/1019578427.db2.gz CHYUPUSHYSWRCJ-MWLCHTKSSA-N -1 0 319.321 -0.397 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)C[C@@H]1O ZINC001609862576 1019578788 /nfs/dbraw/zinc/57/87/88/1019578788.db2.gz IRLCICOIKUQDMW-CABZTGNLSA-N -1 0 322.317 -0.072 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)[C@H]1C ZINC001609852548 1019578973 /nfs/dbraw/zinc/57/89/73/1019578973.db2.gz PIQZGUSTUSAYRP-NOOOWODRSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1 ZINC001609857380 1019579849 /nfs/dbraw/zinc/57/98/49/1019579849.db2.gz SPZZZXVCUBSQMB-JRPNMDOOSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](C)(C(=O)[O-])C2)CC[C@@H]1O ZINC001609861988 1019580372 /nfs/dbraw/zinc/58/03/72/1019580372.db2.gz APRAWTPIQNLNJY-ZETOZRRWSA-N -1 0 312.366 -0.071 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)Cc2nnnn2C)c1[O-] ZINC001505899775 1019580399 /nfs/dbraw/zinc/58/03/99/1019580399.db2.gz RWVUIJAZZQZYIQ-SSDOTTSWSA-N -1 0 308.346 -0.802 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC001609864505 1019581566 /nfs/dbraw/zinc/58/15/66/1019581566.db2.gz BRCXDJINLDKOHE-ZETCQYMHSA-N -1 0 321.289 -0.065 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001609867576 1019582421 /nfs/dbraw/zinc/58/24/21/1019582421.db2.gz ODBUIFNMSUOKQR-VIFPVBQESA-N -1 0 306.322 -0.119 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001609871235 1019583027 /nfs/dbraw/zinc/58/30/27/1019583027.db2.gz SLBSBJLYGMVJCT-NMKXLXIOSA-N -1 0 323.393 -0.092 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@H](F)C1 ZINC001609870266 1019583776 /nfs/dbraw/zinc/58/37/76/1019583776.db2.gz NFBQLUMOJKUUKP-GHMZBOCLSA-N -1 0 315.345 -0.436 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001609971827 1019594764 /nfs/dbraw/zinc/59/47/64/1019594764.db2.gz JOSMXLKKFZMUPN-JTQLQIEISA-N -1 0 322.383 -0.592 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)CC[S@@](=O)C1 ZINC001609869782 1019584167 /nfs/dbraw/zinc/58/41/67/1019584167.db2.gz XOGGGUOGTWNEAQ-ZPWHCFADSA-N -1 0 300.340 -0.797 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001609882327 1019585661 /nfs/dbraw/zinc/58/56/61/1019585661.db2.gz GONLOTPUKNCQSV-SRVKXCTJSA-N -1 0 312.366 -0.071 20 0 DBADRM C/C=C/C[C@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001609881072 1019585676 /nfs/dbraw/zinc/58/56/76/1019585676.db2.gz LAVNDDJCODYBCR-HMDXOVGESA-N -1 0 324.337 -0.342 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001609878135 1019585911 /nfs/dbraw/zinc/58/59/11/1019585911.db2.gz KZJKFXQAGXHRFU-SCZZXKLOSA-N -1 0 316.335 -0.450 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N(CCN1CCOCC1)CC(=O)OC ZINC001609883837 1019586371 /nfs/dbraw/zinc/58/63/71/1019586371.db2.gz GUNGQUXHCTVGBX-NSHDSACASA-N -1 0 316.354 -0.569 20 0 DBADRM CC[C@H](C(=O)NCCn1cc(C(=O)[O-])nn1)N1CCCC1=O ZINC001609884650 1019586470 /nfs/dbraw/zinc/58/64/70/1019586470.db2.gz QZEKGNDDJYLRPR-SNVBAGLBSA-N -1 0 309.326 -0.507 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)C1 ZINC001609883516 1019587027 /nfs/dbraw/zinc/58/70/27/1019587027.db2.gz OWUAAFGWXBIFNL-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCn3cnnc3[C@@H]2C)C[C@H]1C(=O)[O-] ZINC001609884711 1019587223 /nfs/dbraw/zinc/58/72/23/1019587223.db2.gz JQTDYFDIGREODC-KXUCPTDWSA-N -1 0 321.337 -0.640 20 0 DBADRM C[C@H](O)C(C)(C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001575472136 1019587083 /nfs/dbraw/zinc/58/70/83/1019587083.db2.gz HGVILWCSDZQSCY-ZETCQYMHSA-N -1 0 323.357 -0.917 20 0 DBADRM CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001609882496 1019587695 /nfs/dbraw/zinc/58/76/95/1019587695.db2.gz GOEXEBRVPAICCQ-UHFFFAOYSA-N -1 0 313.335 -0.020 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)[C@@H](C)NS(C)(=O)=O ZINC001609913663 1019588486 /nfs/dbraw/zinc/58/84/86/1019588486.db2.gz NXSUHZBDRVGHDN-MRVPVSSYSA-N -1 0 323.367 -0.073 20 0 DBADRM C[C@@H](CN(C)S(C)(=O)=O)OC(=O)c1cnc(C(=O)[O-])cn1 ZINC001609903911 1019589240 /nfs/dbraw/zinc/58/92/40/1019589240.db2.gz SCTZQAJDQYFGSS-ZETCQYMHSA-N -1 0 317.323 -0.389 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1C[C@H](O)C[C@H]1COC)C(=O)[O-] ZINC001609901076 1019589416 /nfs/dbraw/zinc/58/94/16/1019589416.db2.gz SASYWVSFMVORID-MEWQQHAOSA-N -1 0 302.371 -0.317 20 0 DBADRM CC[C@H](C)C[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)[O-] ZINC001609904846 1019589926 /nfs/dbraw/zinc/58/99/26/1019589926.db2.gz MYGPYKYRIBEEPP-VHSXEESVSA-N -1 0 311.338 -0.068 20 0 DBADRM CC[C@H](C)[C@H](C)NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001609899509 1019590759 /nfs/dbraw/zinc/59/07/59/1019590759.db2.gz LYKNLNFHAXSIPP-XWLWVQCSSA-N -1 0 300.355 -0.169 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@]2(CCOC2)O1 ZINC001609948131 1019591618 /nfs/dbraw/zinc/59/16/18/1019591618.db2.gz UPMXHVXHJLUXDK-YGRLFVJLSA-N -1 0 324.337 -0.227 20 0 DBADRM CC[C@](COC)(NS(=O)(=O)C[C@H](C)C(=O)OC)C(=O)[O-] ZINC001609926954 1019592188 /nfs/dbraw/zinc/59/21/88/1019592188.db2.gz ZTAHJGVOVZTPJP-GZMMTYOYSA-N -1 0 311.356 -0.405 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1ccc2nccnc2c1)C(=O)[O-] ZINC001609943274 1019592954 /nfs/dbraw/zinc/59/29/54/1019592954.db2.gz NVABVJODTDCHJS-CQSZACIVSA-N -1 0 318.289 -0.480 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1cnc2c(c1)COCC2)C(=O)[O-] ZINC001609943310 1019593384 /nfs/dbraw/zinc/59/33/84/1019593384.db2.gz RZRDDBAEOPNQGO-CQSZACIVSA-N -1 0 323.305 -0.955 20 0 DBADRM CC[C@](COC)(NC(=O)[C@H](C)CN1CCOCC1)C(=O)[O-] ZINC001609922562 1019593437 /nfs/dbraw/zinc/59/34/37/1019593437.db2.gz QQCWBSGCNIXYBJ-BXUZGUMPSA-N -1 0 302.371 -0.049 20 0 DBADRM CC[C@]1(C)NC(=O)N(NS(=O)(=O)CCCC(=O)[O-])C1=O ZINC001609942430 1019593469 /nfs/dbraw/zinc/59/34/69/1019593469.db2.gz XHDVRDHPECAMMN-JTQLQIEISA-N -1 0 307.328 -0.594 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001609942576 1019593878 /nfs/dbraw/zinc/59/38/78/1019593878.db2.gz IQTJBUSRVBYOPJ-ZDUSSCGKSA-N -1 0 310.310 -0.570 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1 ZINC001609962944 1019595806 /nfs/dbraw/zinc/59/58/06/1019595806.db2.gz BKFFLCSILOKLDV-VHSXEESVSA-N -1 0 311.342 -0.111 20 0 DBADRM C[C@](O)(CNC(=O)Nc1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC001609955296 1019596033 /nfs/dbraw/zinc/59/60/33/1019596033.db2.gz HDHSOTFTQNXDAL-AWEZNQCLSA-N -1 0 307.306 -0.070 20 0 DBADRM CCCNC(=O)CS(=O)(=O)Cc1noc(CCC(=O)[O-])n1 ZINC001609979112 1019596117 /nfs/dbraw/zinc/59/61/17/1019596117.db2.gz CTACIQVWKDBYMU-UHFFFAOYSA-N -1 0 319.339 -0.472 20 0 DBADRM C[C@](O)(CNC(=O)Nc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC001609955593 1019596673 /nfs/dbraw/zinc/59/66/73/1019596673.db2.gz QIWWXKIVPXIZIV-LBPRGKRZSA-N -1 0 306.282 -0.381 20 0 DBADRM CCN(CCCO)C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001610001623 1019597453 /nfs/dbraw/zinc/59/74/53/1019597453.db2.gz BIVNCEGTHUARQM-UHFFFAOYSA-N -1 0 312.326 -0.554 20 0 DBADRM CCN(CCSC)C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001610001486 1019597657 /nfs/dbraw/zinc/59/76/57/1019597657.db2.gz KHUYAJATRNJPEV-SNVBAGLBSA-N -1 0 318.395 -0.100 20 0 DBADRM CCCn1ncnc1CN(CCN1CCOCC1)CC(=O)[O-] ZINC001609988988 1019598409 /nfs/dbraw/zinc/59/84/09/1019598409.db2.gz FLLZLBWBKSATMO-UHFFFAOYSA-N -1 0 311.386 -0.093 20 0 DBADRM CCN(C)C(=O)CNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001609989266 1019598954 /nfs/dbraw/zinc/59/89/54/1019598954.db2.gz CYMXHLCLRCWSJZ-LLVKDONJSA-N -1 0 301.343 -0.668 20 0 DBADRM CCCNC(=O)NC(=O)CN1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001609980034 1019599223 /nfs/dbraw/zinc/59/92/23/1019599223.db2.gz OZJSXZPYOMZGPW-SECBINFHSA-N -1 0 324.341 -0.541 20 0 DBADRM CCN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001610000635 1019599704 /nfs/dbraw/zinc/59/97/04/1019599704.db2.gz XFBZLOCJODNVHW-VIFPVBQESA-N -1 0 324.337 -0.058 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1ccn(C)n1 ZINC001609981679 1019599947 /nfs/dbraw/zinc/59/99/47/1019599947.db2.gz RDBCZIQBJDVYCB-JTQLQIEISA-N -1 0 303.340 -0.513 20 0 DBADRM CCN1C(=O)[C@@H]2CN(c3ncc(C(=O)[O-])cn3)CCN2C1=O ZINC001610005701 1019601811 /nfs/dbraw/zinc/60/18/11/1019601811.db2.gz HYFAKOTWKCWHMJ-VIFPVBQESA-N -1 0 305.294 -0.353 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)c2ccc(C(=O)[O-])n2C)CC1 ZINC001610009008 1019602190 /nfs/dbraw/zinc/60/21/90/1019602190.db2.gz LQTIXXHVKMDUSD-UHFFFAOYSA-N -1 0 322.365 -0.383 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001610010932 1019602217 /nfs/dbraw/zinc/60/22/17/1019602217.db2.gz ZQZKDTPIPNIIPS-UHFFFAOYSA-N -1 0 317.327 -0.764 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)c3ccc(C(=O)[O-])[nH]3)CCN2C1=O ZINC001610006748 1019602722 /nfs/dbraw/zinc/60/27/22/1019602722.db2.gz ZHFBYQLHDWVFMD-JTQLQIEISA-N -1 0 320.305 -0.179 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](CF)C(=O)[O-] ZINC001610013027 1019602895 /nfs/dbraw/zinc/60/28/95/1019602895.db2.gz BZERYTGFHBFTLM-HTQZYQBOSA-N -1 0 312.319 -0.729 20 0 DBADRM CCN1C(=O)[C@H]2CN(c3nccnc3C(=O)[O-])CCN2C1=O ZINC001610006159 1019603910 /nfs/dbraw/zinc/60/39/10/1019603910.db2.gz PYAKFFMVWQUJKI-MRVPVSSYSA-N -1 0 305.294 -0.353 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001610015868 1019605608 /nfs/dbraw/zinc/60/56/08/1019605608.db2.gz KDFQEUCJODIRMZ-UHFFFAOYSA-N -1 0 322.317 -0.196 20 0 DBADRM C[C@]1(C[C@H]2CCCN2C(=O)NCCC(=O)[O-])NC(=O)NC1=O ZINC001610053606 1019607628 /nfs/dbraw/zinc/60/76/28/1019607628.db2.gz KOPOMGWTZACVFQ-AMIZOPFISA-N -1 0 312.326 -0.377 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001610048154 1019608238 /nfs/dbraw/zinc/60/82/38/1019608238.db2.gz LURSNIMKSCSISH-LURJTMIESA-N -1 0 321.380 -0.042 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n(C)n1 ZINC001610058852 1019609107 /nfs/dbraw/zinc/60/91/07/1019609107.db2.gz IBIOCVZBLLJALB-PSASIEDQSA-N -1 0 324.337 -0.785 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)Cc1nc(CC(=O)NC)no1 ZINC001610036082 1019609137 /nfs/dbraw/zinc/60/91/37/1019609137.db2.gz VLCKVDXZRAXGAN-QMMMGPOBSA-N -1 0 300.315 -0.720 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001610068345 1019610808 /nfs/dbraw/zinc/61/08/08/1019610808.db2.gz RTZMNAOWFBLVOY-VIFPVBQESA-N -1 0 311.338 -0.953 20 0 DBADRM CCn1cccc(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1=O ZINC001610084331 1019611671 /nfs/dbraw/zinc/61/16/71/1019611671.db2.gz BVCWWPCWHZZUIT-RYUDHWBXSA-N -1 0 323.349 -0.155 20 0 DBADRM CN([C@H](CO)C(C)(C)C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001610093570 1019613723 /nfs/dbraw/zinc/61/37/23/1019613723.db2.gz OBAVEHVHQYDUKT-SNVBAGLBSA-N -1 0 319.383 -0.005 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNS(=O)(=O)CCCC(=O)[O-])O1 ZINC001610093583 1019614316 /nfs/dbraw/zinc/61/43/16/1019614316.db2.gz OLKREOGFXPCTSJ-VHSXEESVSA-N -1 0 322.383 -0.594 20 0 DBADRM CN(C(=S)NCCCC(=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001610097241 1019614635 /nfs/dbraw/zinc/61/46/35/1019614635.db2.gz PSUKGLHKKMZOKY-SECBINFHSA-N -1 0 323.440 -0.309 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)CCCC(=O)[O-])O1 ZINC001610093582 1019614870 /nfs/dbraw/zinc/61/48/70/1019614870.db2.gz OLKREOGFXPCTSJ-UWVGGRQHSA-N -1 0 322.383 -0.594 20 0 DBADRM CN(C)c1cc(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)ncn1 ZINC001610105433 1019616083 /nfs/dbraw/zinc/61/60/83/1019616083.db2.gz WTANPTFOCBLJRA-RKDXNWHRSA-N -1 0 309.326 -0.158 20 0 DBADRM CN(C)c1nc(C(=O)NCCSCC(=O)[O-])cc(=O)[nH]1 ZINC001610107740 1019616123 /nfs/dbraw/zinc/61/61/23/1019616123.db2.gz YMUBQEDJGFCEAG-UHFFFAOYSA-N -1 0 300.340 -0.204 20 0 DBADRM CN(CC(C)(C)CO)C(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001610110183 1019616449 /nfs/dbraw/zinc/61/64/49/1019616449.db2.gz MBGHTNQOXXFFGN-JTQLQIEISA-N -1 0 300.355 -0.071 20 0 DBADRM CN(CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])c1ccccc1 ZINC001610108339 1019616678 /nfs/dbraw/zinc/61/66/78/1019616678.db2.gz BPKWUNNKSNLSRI-LBPRGKRZSA-N -1 0 305.334 -0.076 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001610100869 1019617342 /nfs/dbraw/zinc/61/73/42/1019617342.db2.gz CMULCHXXTGFGGI-UHFFFAOYSA-N -1 0 300.336 -0.320 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)NCc1ccccc1C(=O)[O-] ZINC001610102291 1019617900 /nfs/dbraw/zinc/61/79/00/1019617900.db2.gz IJVNERLCDQWHKL-UHFFFAOYSA-N -1 0 300.336 -0.108 20 0 DBADRM CN([C@H]1CCNC1=O)S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001610107995 1019618021 /nfs/dbraw/zinc/61/80/21/1019618021.db2.gz UXXHERVUMKWPLN-NSHDSACASA-N -1 0 312.347 -0.177 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CNC(=O)C2)CC1 ZINC001610114270 1019620079 /nfs/dbraw/zinc/62/00/79/1019620079.db2.gz LZYIAFPHJLSQHK-UHFFFAOYSA-N -1 0 319.383 -0.760 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC001610114205 1019621350 /nfs/dbraw/zinc/62/13/50/1019621350.db2.gz IASSKARRILCJET-CMPLNLGQSA-N -1 0 322.383 -0.435 20 0 DBADRM CN(CC(=O)OCc1cccc(C(=O)[O-])n1)S(C)(=O)=O ZINC001610111292 1019621438 /nfs/dbraw/zinc/62/14/38/1019621438.db2.gz ZZETXMWFYQMPHO-UHFFFAOYSA-N -1 0 302.308 -0.286 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC001610114208 1019621815 /nfs/dbraw/zinc/62/18/15/1019621815.db2.gz IASSKARRILCJET-ZYHUDNBSSA-N -1 0 322.383 -0.435 20 0 DBADRM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575526460 1019622120 /nfs/dbraw/zinc/62/21/20/1019622120.db2.gz SGFTVDZLYHVJQE-XLKFXECMSA-N -1 0 323.353 -0.189 20 0 DBADRM CN1C[C@@H](C(=O)OCC(=O)NCC(=O)[O-])c2ccccc2C1=O ZINC001610132460 1019623615 /nfs/dbraw/zinc/62/36/15/1019623615.db2.gz FUCIILUYNIAZSN-LLVKDONJSA-N -1 0 320.301 -0.400 20 0 DBADRM CN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001610130557 1019624083 /nfs/dbraw/zinc/62/40/83/1019624083.db2.gz UODNIGGSTSXMBM-ZCFIWIBFSA-N -1 0 319.364 -0.308 20 0 DBADRM CN(Cc1ccccn1)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001610125492 1019624194 /nfs/dbraw/zinc/62/41/94/1019624194.db2.gz YYCTWGKMMNUPBO-CMPLNLGQSA-N -1 0 321.333 -0.666 20 0 DBADRM CN1C(=O)C[C@H](NS(=O)(=O)CC2(C(=O)[O-])CCCC2)C1=O ZINC001610128029 1019624460 /nfs/dbraw/zinc/62/44/60/1019624460.db2.gz UWBGDMNLLVYYHX-QMMMGPOBSA-N -1 0 318.351 -0.692 20 0 DBADRM CN1CC(=O)N(CC(=O)OCc2ccc(C(=O)[O-])cn2)C1=O ZINC001610127620 1019624687 /nfs/dbraw/zinc/62/46/87/1019624687.db2.gz CRVNQCLPHCHMNC-UHFFFAOYSA-N -1 0 307.262 -0.283 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1ccnn1C ZINC001505954943 1019625319 /nfs/dbraw/zinc/62/53/19/1019625319.db2.gz LJWCQCMGQNOWDD-QMMMGPOBSA-N -1 0 321.341 -0.733 20 0 DBADRM CNC(=O)CCCN(C)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001610139444 1019627977 /nfs/dbraw/zinc/62/79/77/1019627977.db2.gz PWEJEOWGDKCSNP-UHFFFAOYSA-N -1 0 321.380 -0.012 20 0 DBADRM CNC(=O)CNC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001610139754 1019629732 /nfs/dbraw/zinc/62/97/32/1019629732.db2.gz CBJUBLCEYYCKDK-UHFFFAOYSA-N -1 0 322.321 -0.241 20 0 DBADRM COC(=O)C[C@@]1(NS(=O)(=O)C[C@@H](C)C(=O)[O-])CCOC1 ZINC001610177777 1019642871 /nfs/dbraw/zinc/64/28/71/1019642871.db2.gz JAIPINCVBVYQCS-KCJUWKMLSA-N -1 0 309.340 -0.651 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)Cc2cccc(C(=O)[O-])c2)CCO1 ZINC001610139858 1019630168 /nfs/dbraw/zinc/63/01/68/1019630168.db2.gz XWQYCMDIYGNUDN-GFCCVEGCSA-N -1 0 306.318 -0.099 20 0 DBADRM CNC(=O)[C@H]1CN(Cc2c(C)nn(CCC(=O)[O-])c2C)CCO1 ZINC001610139741 1019630734 /nfs/dbraw/zinc/63/07/34/1019630734.db2.gz VPJZXJGIMIIVLA-CYBMUJFWSA-N -1 0 324.381 -0.079 20 0 DBADRM CNC(=O)[C@H](O)CNS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001610142634 1019630770 /nfs/dbraw/zinc/63/07/70/1019630770.db2.gz MZLVOCIKHCZAKP-SECBINFHSA-N -1 0 316.335 -0.922 20 0 DBADRM CNC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001610143568 1019631275 /nfs/dbraw/zinc/63/12/75/1019631275.db2.gz YTDXIVHZCNLGIQ-VIFPVBQESA-N -1 0 316.335 -0.922 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001610142104 1019631302 /nfs/dbraw/zinc/63/13/02/1019631302.db2.gz JDLUUYNBVGMWHZ-UHFFFAOYSA-N -1 0 317.305 -0.097 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001610140380 1019631526 /nfs/dbraw/zinc/63/15/26/1019631526.db2.gz WWMHFGLXUNOVPY-UHFFFAOYSA-N -1 0 315.232 -0.536 20 0 DBADRM CNC(=O)CC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001610139885 1019631697 /nfs/dbraw/zinc/63/16/97/1019631697.db2.gz YIWJBFSCDZRJEJ-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)NCC(C)(C)C(=O)[O-])C1 ZINC001610145673 1019632824 /nfs/dbraw/zinc/63/28/24/1019632824.db2.gz CHAIHQPCDPNYAS-QMMMGPOBSA-N -1 0 307.372 -0.570 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccccc1OC ZINC001610150961 1019633482 /nfs/dbraw/zinc/63/34/82/1019633482.db2.gz LYBFWQNHDPLWDU-MRVPVSSYSA-N -1 0 317.319 -0.010 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccnn1CC(F)F ZINC001610154403 1019635783 /nfs/dbraw/zinc/63/57/83/1019635783.db2.gz VUQHJTKDWNHBKT-ZCFIWIBFSA-N -1 0 305.237 -0.106 20 0 DBADRM COC(=O)C1(C(=O)N(C)CCNC(=O)C2(C(=O)[O-])CC2)CC1 ZINC001610157920 1019636413 /nfs/dbraw/zinc/63/64/13/1019636413.db2.gz DPRNVDDMUCCTOD-UHFFFAOYSA-N -1 0 312.322 -0.621 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc(Cn2cccn2)on1 ZINC001610153269 1019636590 /nfs/dbraw/zinc/63/65/90/1019636590.db2.gz PULSETMWTHBMII-JTQLQIEISA-N -1 0 322.277 -0.335 20 0 DBADRM COC(=O)[C@@H](C)CNS(=O)(=O)c1scnc1C(=O)[O-] ZINC001610154258 1019636810 /nfs/dbraw/zinc/63/68/10/1019636810.db2.gz XXYNZOQOJDKXSQ-YFKPBYRVSA-N -1 0 308.337 -0.071 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)CCCC(=O)[O-])c1ccnn1C ZINC001610158660 1019636912 /nfs/dbraw/zinc/63/69/12/1019636912.db2.gz XCVZLDRYCDWJBD-JTQLQIEISA-N -1 0 319.339 -0.582 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cc1ccnn1C ZINC001610166954 1019639408 /nfs/dbraw/zinc/63/94/08/1019639408.db2.gz CUDBRJRGTOYMRQ-MWLCHTKSSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001610173579 1019639497 /nfs/dbraw/zinc/63/94/97/1019639497.db2.gz OJPSJWRPIFVCII-LNLATYFQSA-N -1 0 322.321 -0.224 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H]1CCn2c(C)ncc2C1)C(=O)[O-] ZINC001610179082 1019641160 /nfs/dbraw/zinc/64/11/60/1019641160.db2.gz GNAMZCAWXFCAIT-KOLCDFICSA-N -1 0 309.322 -0.114 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H]1CCCC12OCCO2)C(=O)[O-] ZINC001610181263 1019641212 /nfs/dbraw/zinc/64/12/12/1019641212.db2.gz RTIQNLXDZRFSIL-RKDXNWHRSA-N -1 0 301.295 -0.338 20 0 DBADRM COC(=O)C[C@H](NC(=O)CN1CCCCCCC1=O)C(=O)[O-] ZINC001610181004 1019641409 /nfs/dbraw/zinc/64/14/09/1019641409.db2.gz QKMIUQAAZSZOJL-JTQLQIEISA-N -1 0 314.338 -0.088 20 0 DBADRM COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC001610179972 1019641897 /nfs/dbraw/zinc/64/18/97/1019641897.db2.gz UDOGNSANWGHXCE-ZJUUUORDSA-N -1 0 322.383 -0.927 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CCC(=O)c1cnn(C)c1)C(=O)[O-] ZINC001610178424 1019642626 /nfs/dbraw/zinc/64/26/26/1019642626.db2.gz CKBZBQUTKORAFZ-SECBINFHSA-N -1 0 311.294 -0.485 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC001610183307 1019645122 /nfs/dbraw/zinc/64/51/22/1019645122.db2.gz OBMZDPWSSIIBMY-VHSXEESVSA-N -1 0 323.367 -0.167 20 0 DBADRM COC(=O)CNC(=O)CCNC(C)(C)c1cc(C(=O)[O-])on1 ZINC001610184804 1019645419 /nfs/dbraw/zinc/64/54/19/1019645419.db2.gz DVKIWWUPHSVODM-UHFFFAOYSA-N -1 0 313.310 -0.123 20 0 DBADRM COC(=O)CCCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001610183540 1019645936 /nfs/dbraw/zinc/64/59/36/1019645936.db2.gz SKAIJAJGUOVKAM-LLVKDONJSA-N -1 0 302.327 -0.193 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cnn(CCF)c1 ZINC001610194015 1019647502 /nfs/dbraw/zinc/64/75/02/1019647502.db2.gz QSDRQHKGQWYUSP-SECBINFHSA-N -1 0 301.274 -0.011 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)N1CCCCC1 ZINC001610192127 1019647633 /nfs/dbraw/zinc/64/76/33/1019647633.db2.gz CBRABFNTEYZGOZ-SECBINFHSA-N -1 0 308.356 -0.287 20 0 DBADRM COC(=O)N1CC(NS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001610187560 1019648048 /nfs/dbraw/zinc/64/80/48/1019648048.db2.gz NJRHRCVZKJDQCS-UWVGGRQHSA-N -1 0 320.367 0.000 20 0 DBADRM COC(=O)[C@H]1[C@@H]2CN(S(=O)(=O)CC3(CC(=O)[O-])CC3)C[C@@H]21 ZINC001610191067 1019648239 /nfs/dbraw/zinc/64/82/39/1019648239.db2.gz SZKOFKOVCJMDQD-JZYVYDRUSA-N -1 0 317.363 -0.078 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN2CCO[C@H](CF)C2)n1 ZINC001610198204 1019650638 /nfs/dbraw/zinc/65/06/38/1019650638.db2.gz ZFQXTYBONZIGES-MRVPVSSYSA-N -1 0 301.274 -0.004 20 0 DBADRM COC(=O)c1cc(C)nc(N2CC(n3cc(C(=O)[O-])nn3)C2)n1 ZINC001610197911 1019650786 /nfs/dbraw/zinc/65/07/86/1019650786.db2.gz SSZMVGSNBINTDQ-UHFFFAOYSA-N -1 0 318.293 -0.077 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN2CC[C@H](n3cncn3)C2)n1 ZINC001610195391 1019650895 /nfs/dbraw/zinc/65/08/95/1019650895.db2.gz MTMGBYZXUNKLCB-VIFPVBQESA-N -1 0 320.309 -0.136 20 0 DBADRM COC(=O)c1cc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)on1 ZINC001610195525 1019650984 /nfs/dbraw/zinc/65/09/84/1019650984.db2.gz IFCUSGDSAJBOGM-UHFFFAOYSA-N -1 0 321.249 -0.552 20 0 DBADRM COC(=O)c1cc(CN2CCC[C@H]2C(=O)NCC(=O)[O-])c[nH]1 ZINC001610197891 1019651034 /nfs/dbraw/zinc/65/10/34/1019651034.db2.gz SHVBQYKUTJQGDN-NSHDSACASA-N -1 0 309.322 -0.034 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)nc1 ZINC001610206881 1019651293 /nfs/dbraw/zinc/65/12/93/1019651293.db2.gz LCNWXVNAYNYAEV-VIFPVBQESA-N -1 0 310.262 -0.386 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)NCCC(=O)[O-])C[C@@]2(CCOC2)O1 ZINC001610195581 1019651432 /nfs/dbraw/zinc/65/14/32/1019651432.db2.gz YKFBJSJVNWCSNC-QMTHXVAHSA-N -1 0 314.338 -0.626 20 0 DBADRM COC(=O)c1ccc(NC(=O)N2CCC(O)(C(=O)[O-])CC2)nn1 ZINC001610211714 1019651526 /nfs/dbraw/zinc/65/15/26/1019651526.db2.gz GZRIFRHFROTAKD-UHFFFAOYSA-N -1 0 324.293 -0.293 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])C1CC1 ZINC001610230136 1019652653 /nfs/dbraw/zinc/65/26/53/1019652653.db2.gz VEQLHZINMZVZHB-UWVGGRQHSA-N -1 0 320.367 -0.984 20 0 DBADRM CO[C@@H]1CC(=O)N(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001610235753 1019653220 /nfs/dbraw/zinc/65/32/20/1019653220.db2.gz NGZYAHIMYZQZIY-WDEREUQCSA-N -1 0 323.353 -0.182 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])CCOC1 ZINC001610234568 1019653531 /nfs/dbraw/zinc/65/35/31/1019653531.db2.gz SNVASONRZQBMKY-YGRLFVJLSA-N -1 0 314.338 -0.626 20 0 DBADRM CO[C@@H]1CCCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001610240075 1019653733 /nfs/dbraw/zinc/65/37/33/1019653733.db2.gz ZJNSSRKQNBDAGR-MRVPVSSYSA-N -1 0 310.310 -0.306 20 0 DBADRM CO[C@@H]1CCN(CC(=O)NC[C@@H]2CCCO2)[C@@H](C(=O)[O-])C1 ZINC001610238524 1019653797 /nfs/dbraw/zinc/65/37/97/1019653797.db2.gz WMDCUAVTAWQIGN-GRYCIOLGSA-N -1 0 300.355 -0.154 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610225065 1019654030 /nfs/dbraw/zinc/65/40/30/1019654030.db2.gz JICIGOKASDZZJU-DTWKUNHWSA-N -1 0 318.355 -0.412 20 0 DBADRM COC[C@@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001610249128 1019660183 /nfs/dbraw/zinc/66/01/83/1019660183.db2.gz OVGPRFJDYCKBDJ-SECBINFHSA-N -1 0 309.340 -0.699 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC001610245705 1019655406 /nfs/dbraw/zinc/65/54/06/1019655406.db2.gz DQLFLVHZKWXFLC-VQVTYTSYSA-N -1 0 312.244 -0.341 20 0 DBADRM COC[C@@](C)(O)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610243303 1019655459 /nfs/dbraw/zinc/65/54/59/1019655459.db2.gz DNRIXLDVPHOXBU-NOZJJQNGSA-N -1 0 312.326 -0.463 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC001610245702 1019655481 /nfs/dbraw/zinc/65/54/81/1019655481.db2.gz DQLFLVHZKWXFLC-ACZMJKKPSA-N -1 0 312.244 -0.341 20 0 DBADRM COC[C@@H](CNS(=O)(=O)c1cncc(C(=O)[O-])c1)OC ZINC001610245270 1019655547 /nfs/dbraw/zinc/65/55/47/1019655547.db2.gz OPVLRNHULWBDDV-SECBINFHSA-N -1 0 304.324 -0.281 20 0 DBADRM COC[C@@H](NC(=O)CCNC(=O)Cc1ccccc1)C(=O)[O-] ZINC001610245440 1019655912 /nfs/dbraw/zinc/65/59/12/1019655912.db2.gz AAALORBAFMAZAZ-GFCCVEGCSA-N -1 0 308.334 -0.049 20 0 DBADRM COC[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)[O-] ZINC001610245784 1019656980 /nfs/dbraw/zinc/65/69/80/1019656980.db2.gz HJYRQSBGEUSLRP-NSHDSACASA-N -1 0 320.305 -0.603 20 0 DBADRM COC[C@@H](CCO)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001610246584 1019657202 /nfs/dbraw/zinc/65/72/02/1019657202.db2.gz DCZQQTJVAYKHKW-MRVPVSSYSA-N -1 0 313.310 -0.825 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)OC ZINC001610250952 1019658468 /nfs/dbraw/zinc/65/84/68/1019658468.db2.gz QIYSWHCYTJAMFL-MRVPVSSYSA-N -1 0 321.307 -0.247 20 0 DBADRM COC[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC001610248693 1019658526 /nfs/dbraw/zinc/65/85/26/1019658526.db2.gz JKVRDGOGTXWVPB-SECBINFHSA-N -1 0 301.320 -0.081 20 0 DBADRM COC[C@@H](NC(=O)CNC(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC001610247019 1019658673 /nfs/dbraw/zinc/65/86/73/1019658673.db2.gz ZJPUYFNFSOMTTA-SNVBAGLBSA-N -1 0 316.260 -0.090 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(F)cc1C(=O)[O-])C(N)=O ZINC001610250342 1019659021 /nfs/dbraw/zinc/65/90/21/1019659021.db2.gz IRPLEHOEQLNICN-MRVPVSSYSA-N -1 0 320.298 -0.698 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)OC ZINC001610247761 1019659048 /nfs/dbraw/zinc/65/90/48/1019659048.db2.gz GWVQSRLIUOPXTK-SSDOTTSWSA-N -1 0 323.348 -0.087 20 0 DBADRM COC[C@H](NC(=O)c1c(C)oc2ncn(C)c(=O)c21)C(=O)[O-] ZINC001610251826 1019659241 /nfs/dbraw/zinc/65/92/41/1019659241.db2.gz VRLJVEWPVUZULE-ZETCQYMHSA-N -1 0 309.278 -0.336 20 0 DBADRM CCCNC(=O)C1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001610251659 1019659252 /nfs/dbraw/zinc/65/92/52/1019659252.db2.gz UNAHQFRQPRXVCT-UHFFFAOYSA-N -1 0 320.411 -0.276 20 0 DBADRM COC[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CNC2=O)C(=O)[O-] ZINC001610249722 1019659279 /nfs/dbraw/zinc/65/92/79/1019659279.db2.gz TZFJASQNMBSLMB-SNVBAGLBSA-N -1 0 321.289 -0.802 20 0 DBADRM COC[C@@H](NC(=O)CN1CCc2ccccc2C1=O)C(=O)[O-] ZINC001610246770 1019659873 /nfs/dbraw/zinc/65/98/73/1019659873.db2.gz WTIVZGPMUFSBOA-GFCCVEGCSA-N -1 0 306.318 -0.099 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OC ZINC001610253804 1019661895 /nfs/dbraw/zinc/66/18/95/1019661895.db2.gz OPHNOOLRAAXILT-ZETCQYMHSA-N -1 0 321.307 -0.166 20 0 DBADRM COCCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001610257131 1019662072 /nfs/dbraw/zinc/66/20/72/1019662072.db2.gz WRSPTUBLLWUCSG-ZJUUUORDSA-N -1 0 323.367 -0.309 20 0 DBADRM COCC[C@H](NC(=O)c1csc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001610254334 1019662842 /nfs/dbraw/zinc/66/28/42/1019662842.db2.gz XYVNJZHNJDNKNR-ZETCQYMHSA-N -1 0 322.364 -0.385 20 0 DBADRM COCCNC(=O)c1ccc(N2C[C@H](C(=O)[O-])C[C@H](O)C2)nc1 ZINC001610261766 1019663928 /nfs/dbraw/zinc/66/39/28/1019663928.db2.gz OGPGMIMMBSYAEY-NEPJUHHUSA-N -1 0 323.349 -0.270 20 0 DBADRM COCCn1cc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])ccc1=O ZINC001610266132 1019664088 /nfs/dbraw/zinc/66/40/88/1019664088.db2.gz YKWIFOJZOZZSJS-YPMHNXCESA-N -1 0 324.333 -0.455 20 0 DBADRM COCCS(=O)(=O)CC(=O)Nc1nc(C(=O)[O-])ns1 ZINC001610263657 1019664434 /nfs/dbraw/zinc/66/44/34/1019664434.db2.gz IBYGSMXNABUYNE-UHFFFAOYSA-N -1 0 309.325 -0.764 20 0 DBADRM COCCOCC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001610263093 1019664776 /nfs/dbraw/zinc/66/47/76/1019664776.db2.gz DSOOHPSQSJVWQC-VHSXEESVSA-N -1 0 303.311 -0.486 20 0 DBADRM COCCN1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1=O ZINC001610262185 1019664994 /nfs/dbraw/zinc/66/49/94/1019664994.db2.gz VCTMNZMHXWBKQD-UHFFFAOYSA-N -1 0 320.367 -0.681 20 0 DBADRM O=C(NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1)C1=CCCC1 ZINC001506011250 1019665164 /nfs/dbraw/zinc/66/51/64/1019665164.db2.gz WSLVSMDIEPQODA-UHFFFAOYSA-N -1 0 319.321 -0.228 20 0 DBADRM COCCOc1cccc(C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001610264563 1019665444 /nfs/dbraw/zinc/66/54/44/1019665444.db2.gz ZEFCRIQDMOIYLE-UHFFFAOYSA-N -1 0 310.306 -0.358 20 0 DBADRM COCCn1cc(C(=O)N(CC(=O)[O-])CC(=O)OC)c(C)n1 ZINC001610265660 1019665513 /nfs/dbraw/zinc/66/55/13/1019665513.db2.gz ORHAAOZDLIYJHF-UHFFFAOYSA-N -1 0 313.310 -0.462 20 0 DBADRM CON(C)C(=O)CCn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC001610275652 1019666698 /nfs/dbraw/zinc/66/66/98/1019666698.db2.gz JEKDCISDONTLAG-UHFFFAOYSA-N -1 0 309.282 -0.913 20 0 DBADRM CS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](O)C(=O)[O-])c1 ZINC001610378972 1019677566 /nfs/dbraw/zinc/67/75/66/1019677566.db2.gz OCWHMDGAOYXFHR-VIFPVBQESA-N -1 0 305.283 -0.596 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001610268979 1019666969 /nfs/dbraw/zinc/66/69/69/1019666969.db2.gz XQQQPDPLICCWHB-ZETCQYMHSA-N -1 0 316.335 -0.183 20 0 DBADRM CO[C@@H]1COC[C@H]1N1C(=O)NC2(CCC(C(=O)[O-])CC2)C1=O ZINC001610275471 1019668063 /nfs/dbraw/zinc/66/80/63/1019668063.db2.gz QEKIZUPPMMMOKW-OVAVYLEHSA-N -1 0 312.322 -0.034 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)CNC(=O)CNC(C)=O ZINC001610284984 1019668073 /nfs/dbraw/zinc/66/80/73/1019668073.db2.gz XOAWSJLKFIFRHK-UHFFFAOYSA-N -1 0 323.305 -0.416 20 0 DBADRM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN(C)CC(N)=O ZINC001610286255 1019668268 /nfs/dbraw/zinc/66/82/68/1019668268.db2.gz IWPSULYCBPRPBJ-SNVBAGLBSA-N -1 0 312.322 -0.450 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CCNC(=O)C1 ZINC001610282491 1019668759 /nfs/dbraw/zinc/66/87/59/1019668759.db2.gz GVVZDIIERUNABE-UHFFFAOYSA-N -1 0 321.289 -0.710 20 0 DBADRM COc1ccc([C@@H](NC(=O)[C@H]2CCC(=O)N2)C(=O)[O-])cc1O ZINC001610319674 1019669675 /nfs/dbraw/zinc/66/96/75/1019669675.db2.gz FYLZIPHRTNQNOR-PRHODGIISA-N -1 0 308.290 -0.079 20 0 DBADRM COc1ccc(CNS(=O)(=O)N(C)CCC(=O)[O-])nc1 ZINC001610335376 1019669830 /nfs/dbraw/zinc/66/98/30/1019669830.db2.gz AYIVPAYNJJAXOD-UHFFFAOYSA-N -1 0 303.340 -0.169 20 0 DBADRM COc1ccc(CN2CCO[C@@H](C(=O)[O-])C2)cc1OCC(N)=O ZINC001610332398 1019670254 /nfs/dbraw/zinc/67/02/54/1019670254.db2.gz HJBNCMCMLIXANK-CYBMUJFWSA-N -1 0 324.333 -0.155 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)Cn2ncn(C)c2=O)c1 ZINC001610317408 1019670815 /nfs/dbraw/zinc/67/08/15/1019670815.db2.gz JIKIHWDNJMBVET-UHFFFAOYSA-N -1 0 306.278 -0.073 20 0 DBADRM COc1ccc(CNC(=O)[C@@H](CO)NC(N)=O)cc1C(=O)[O-] ZINC001610332668 1019671495 /nfs/dbraw/zinc/67/14/95/1019671495.db2.gz IEIJXVMAOAFZIS-SECBINFHSA-N -1 0 311.294 -0.961 20 0 DBADRM COc1cccn2c(=O)n(CN3CCO[C@@H](CC(=O)[O-])C3)nc12 ZINC001610369985 1019672956 /nfs/dbraw/zinc/67/29/56/1019672956.db2.gz VHWYNPNFTVOWSS-JTQLQIEISA-N -1 0 322.321 -0.362 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CC[C@](F)(C(=O)[O-])C2)CCOCC1 ZINC001610372176 1019674338 /nfs/dbraw/zinc/67/43/38/1019674338.db2.gz GISIJSOUTYMIFD-LLVKDONJSA-N -1 0 323.342 -0.395 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001610377320 1019674378 /nfs/dbraw/zinc/67/43/78/1019674378.db2.gz UTXKMYXSHNRLOE-UHEGKEBESA-N -1 0 316.379 -0.219 20 0 DBADRM CS(=O)(=O)C1(C(=O)Nc2ccn(CC(=O)[O-])n2)CCC1 ZINC001610372400 1019674846 /nfs/dbraw/zinc/67/48/46/1019674846.db2.gz MWWYBXUFIRRVPR-UHFFFAOYSA-N -1 0 301.324 -0.127 20 0 DBADRM CC1(C)C[C@H]1CNC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001575653952 1019674786 /nfs/dbraw/zinc/67/47/86/1019674786.db2.gz DVSNHQVWSBPMKJ-ZETCQYMHSA-N -1 0 319.325 -0.709 20 0 DBADRM C[S@](=O)C1(CNS(=O)(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC001610379136 1019675966 /nfs/dbraw/zinc/67/59/66/1019675966.db2.gz NLMKXYLXTZQKHK-IBGZPJMESA-N -1 0 318.376 -0.031 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC001610394008 1019676095 /nfs/dbraw/zinc/67/60/95/1019676095.db2.gz AYKGMHGQAYXKKA-LBPRGKRZSA-N -1 0 313.335 -0.192 20 0 DBADRM C[C@@H](O)[C@@H](CO)NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001610391068 1019676125 /nfs/dbraw/zinc/67/61/25/1019676125.db2.gz IXBQBZRZCYFMQD-HRDYMLBCSA-N -1 0 320.342 -0.788 20 0 DBADRM C[C@H](CO)N(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001610393403 1019676152 /nfs/dbraw/zinc/67/61/52/1019676152.db2.gz BMTXKEPYFOCWKV-SKDRFNHKSA-N -1 0 322.317 -0.296 20 0 DBADRM C[C@@H]1CN(C(=O)NCC2CN(S(C)(=O)=O)C2)C[C@H]1C(=O)[O-] ZINC001610392132 1019677222 /nfs/dbraw/zinc/67/72/22/1019677222.db2.gz JMXQBXJCEPNWQS-PSASIEDQSA-N -1 0 319.383 -0.760 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=S)NCCCC(=O)[O-])C1 ZINC001610377356 1019677311 /nfs/dbraw/zinc/67/73/11/1019677311.db2.gz XOAIJUWYRSEOPU-SECBINFHSA-N -1 0 323.440 -0.261 20 0 DBADRM CS[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001610382889 1019677794 /nfs/dbraw/zinc/67/77/94/1019677794.db2.gz YXKKUDHWEDNOAV-ZJUUUORDSA-N -1 0 316.379 -0.348 20 0 DBADRM Cc1c(NC(=O)C(=O)N(C)C[C@@H](O)C2CC2)cnn1CC(=O)[O-] ZINC001610417385 1019679441 /nfs/dbraw/zinc/67/94/41/1019679441.db2.gz KNJPFUNPXVXSGX-LLVKDONJSA-N -1 0 324.337 -0.556 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCN2CCC2)cnn1CC(=O)[O-] ZINC001610419962 1019680119 /nfs/dbraw/zinc/68/01/19/1019680119.db2.gz HJBUYJYKWUEEJL-UHFFFAOYSA-N -1 0 309.326 -0.963 20 0 DBADRM Cc1c(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)nnn1C ZINC001610406074 1019680226 /nfs/dbraw/zinc/68/02/26/1019680226.db2.gz LVLJMQNJANEJCN-UHFFFAOYSA-N -1 0 307.310 -0.041 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)n(C)n1 ZINC001610471472 1019682373 /nfs/dbraw/zinc/68/23/73/1019682373.db2.gz RRXSKMDDDDCHST-UHFFFAOYSA-N -1 0 324.337 -0.335 20 0 DBADRM CCc1csc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])n1 ZINC001610437862 1019682730 /nfs/dbraw/zinc/68/27/30/1019682730.db2.gz KEGBQBQZBWRHHU-NSHDSACASA-N -1 0 301.324 -0.404 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)sn1 ZINC001610468997 1019683740 /nfs/dbraw/zinc/68/37/40/1019683740.db2.gz FLGGPMNPMAFJHT-SFYZADRCSA-N -1 0 313.335 -0.316 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCNC(=O)CC2)c(C(=O)[O-])[nH]1 ZINC001610469540 1019683957 /nfs/dbraw/zinc/68/39/57/1019683957.db2.gz OEHUZDFMDBSXCR-UHFFFAOYSA-N -1 0 308.294 -0.692 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])on1 ZINC001610461528 1019684127 /nfs/dbraw/zinc/68/41/27/1019684127.db2.gz LXKSHMFINRKDNJ-NXEZZACHSA-N -1 0 304.324 -0.277 20 0 DBADRM Cc1cc(NC(=O)COC(=O)Cn2cc(C(=O)[O-])nn2)n(C)n1 ZINC001610472271 1019684214 /nfs/dbraw/zinc/68/42/14/1019684214.db2.gz VVQXIWZNSSQFLK-UHFFFAOYSA-N -1 0 322.281 -0.800 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NCCOCCO ZINC001610441077 1019684274 /nfs/dbraw/zinc/68/42/74/1019684274.db2.gz SNUBMJQOSYUUTP-UHFFFAOYSA-N -1 0 310.306 -0.243 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1C[C@H](O)C[C@H]1CO ZINC001610486491 1019685393 /nfs/dbraw/zinc/68/53/93/1019685393.db2.gz OBJQZTAPXVOFCP-WDEREUQCSA-N -1 0 322.317 -0.414 20 0 DBADRM Cc1ccoc1CN(C)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001610537186 1019685620 /nfs/dbraw/zinc/68/56/20/1019685620.db2.gz BYGXFHGRVMAVSU-WDEREUQCSA-N -1 0 324.333 -0.160 20 0 DBADRM Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@H](CO)C(=O)[O-])c1C ZINC001610478607 1019686083 /nfs/dbraw/zinc/68/60/83/1019686083.db2.gz OFGCMPAMAIBWNZ-SNVBAGLBSA-N -1 0 316.335 -0.874 20 0 DBADRM Cc1ccnc2nc(C(=O)N[C@H](C(=O)[O-])c3ccn(C)n3)nn21 ZINC001610536486 1019686553 /nfs/dbraw/zinc/68/65/53/1019686553.db2.gz VQIGEKMDFMWXFN-VIFPVBQESA-N -1 0 315.293 -0.278 20 0 DBADRM Cc1ccc(CNS(=O)(=O)N(C)CCC(=O)[O-])c(=O)n1C ZINC001610501315 1019686618 /nfs/dbraw/zinc/68/66/18/1019686618.db2.gz BTUWSKRJFDRXDH-UHFFFAOYSA-N -1 0 317.367 -0.565 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CC(CC(N)=O)C2)cc1C(=O)[O-] ZINC001610505288 1019686669 /nfs/dbraw/zinc/68/66/69/1019686669.db2.gz VFBAQLHIJVKAGU-UHFFFAOYSA-N -1 0 319.317 -0.034 20 0 DBADRM Cc1csc(=O)n1CCC(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC001610544303 1019686899 /nfs/dbraw/zinc/68/68/99/1019686899.db2.gz SDYGZAKQEPGMNN-QMMMGPOBSA-N -1 0 316.335 -0.259 20 0 DBADRM Cc1ccc(C(=O)C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC001610482062 1019686931 /nfs/dbraw/zinc/68/69/31/1019686931.db2.gz FXZZGGXJTAZESG-LLVKDONJSA-N -1 0 304.302 -0.021 20 0 DBADRM CC1(C)CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@@H]2COC[C@@H]21 ZINC001575702628 1019688864 /nfs/dbraw/zinc/68/88/64/1019688864.db2.gz LQVODAOKNYSFGX-DTWKUNHWSA-N -1 0 318.341 -0.658 20 0 DBADRM Cc1nccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001610566487 1019688980 /nfs/dbraw/zinc/68/89/80/1019688980.db2.gz JEJNVCSUFKHUKP-DTWKUNHWSA-N -1 0 308.294 -0.982 20 0 DBADRM Cc1nc(NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)nn1C ZINC001610557790 1019689312 /nfs/dbraw/zinc/68/93/12/1019689312.db2.gz MXPBYOMGOOCDQH-UHFFFAOYSA-N -1 0 309.326 -0.178 20 0 DBADRM Cc1nccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001610566488 1019689463 /nfs/dbraw/zinc/68/94/63/1019689463.db2.gz JEJNVCSUFKHUKP-IUCAKERBSA-N -1 0 308.294 -0.982 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CCNC(=O)CC2)cc1C(=O)[O-] ZINC001610563890 1019689762 /nfs/dbraw/zinc/68/97/62/1019689762.db2.gz BVBDUTCTGOAAIB-UHFFFAOYSA-N -1 0 313.335 -0.401 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001610565544 1019689951 /nfs/dbraw/zinc/68/99/51/1019689951.db2.gz QZWZAZUCHPFAFL-UHFFFAOYSA-N -1 0 319.321 -0.017 20 0 DBADRM Cc1nccc(N2CCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC001610566364 1019690043 /nfs/dbraw/zinc/69/00/43/1019690043.db2.gz CVUAVDYNXLIUTH-JTQLQIEISA-N -1 0 307.354 -0.504 20 0 DBADRM Cc1nc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)nn1-c1nc[nH]n1 ZINC001610551622 1019690144 /nfs/dbraw/zinc/69/01/44/1019690144.db2.gz NCGJMOLSWLIVCI-GFCCVEGCSA-N -1 0 305.298 -0.323 20 0 DBADRM Cc1occc1C(=O)NCC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001610588004 1019691422 /nfs/dbraw/zinc/69/14/22/1019691422.db2.gz HIPDTZWTIKCBBX-CMPLNLGQSA-N -1 0 310.306 -0.246 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCOCCCO ZINC001610581469 1019691898 /nfs/dbraw/zinc/69/18/98/1019691898.db2.gz KWQQGTWLJPIQFI-UHFFFAOYSA-N -1 0 307.324 -0.036 20 0 DBADRM Cc1noc(CNC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)n1 ZINC001610575894 1019693090 /nfs/dbraw/zinc/69/30/90/1019693090.db2.gz GOLUGCQSWYOFSB-UHFFFAOYSA-N -1 0 310.310 -0.246 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC001610597089 1019695005 /nfs/dbraw/zinc/69/50/05/1019695005.db2.gz OUBCGEQOXLWZLB-ZETCQYMHSA-N -1 0 301.324 -0.774 20 0 DBADRM Cn1cc([C@H](CO)NS(=O)(=O)CC2(CC(=O)[O-])CC2)cn1 ZINC001610602190 1019695436 /nfs/dbraw/zinc/69/54/36/1019695436.db2.gz UDZGLDAQQGAPGN-JTQLQIEISA-N -1 0 317.367 -0.372 20 0 DBADRM Cn1cc([C@@H]2C[S@@](=O)CCN2C[C@](C)(O)C(=O)[O-])cn1 ZINC001610602184 1019695525 /nfs/dbraw/zinc/69/55/25/1019695525.db2.gz TZXFEWVFZRNCMC-QARYCYADSA-N -1 0 301.368 -0.639 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@@](C)(O)C2CC2)cc1C(=O)[O-] ZINC001610605741 1019696920 /nfs/dbraw/zinc/69/69/20/1019696920.db2.gz ZPTIIXWLRKHKQF-CQSZACIVSA-N -1 0 309.322 -0.061 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)c3ccc(C(=O)[O-])[nH]3)C2=O)cn1 ZINC001610604055 1019697761 /nfs/dbraw/zinc/69/77/61/1019697761.db2.gz CCJNFTUOBZIQRK-SNVBAGLBSA-N -1 0 317.305 -0.018 20 0 DBADRM Cn1cc2c(n1)CCC[C@H]2C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001610607052 1019697871 /nfs/dbraw/zinc/69/78/71/1019697871.db2.gz DSOIZFWXMLXVON-SECBINFHSA-N -1 0 318.337 -0.054 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@](C)(O)C2CC2)cc1C(=O)[O-] ZINC001610605740 1019698118 /nfs/dbraw/zinc/69/81/18/1019698118.db2.gz ZPTIIXWLRKHKQF-AWEZNQCLSA-N -1 0 309.322 -0.061 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)n1 ZINC001610609011 1019698126 /nfs/dbraw/zinc/69/81/26/1019698126.db2.gz LZKXWTSKNXQROG-UHFFFAOYSA-N -1 0 319.321 -0.246 20 0 DBADRM Cn1cnn(CC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1=O ZINC001610611929 1019700062 /nfs/dbraw/zinc/70/00/62/1019700062.db2.gz IOKROFRCAPZBTB-UHFFFAOYSA-N -1 0 308.269 -0.013 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCC[C@@H](CCO)C1 ZINC001610614597 1019700278 /nfs/dbraw/zinc/70/02/78/1019700278.db2.gz MZPAHILYGXBZMM-VIFPVBQESA-N -1 0 324.337 -0.322 20 0 DBADRM Cn1nc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c2c1CCCC2 ZINC001610612581 1019701608 /nfs/dbraw/zinc/70/16/08/1019701608.db2.gz IVQAKMOWJSCDDJ-NSHDSACASA-N -1 0 320.349 -0.286 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCCOC(F)F ZINC001610614204 1019701865 /nfs/dbraw/zinc/70/18/65/1019701865.db2.gz OIEUPWJSXCLZST-UHFFFAOYSA-N -1 0 320.252 -0.198 20 0 DBADRM Cn1nccc1CCNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001610616293 1019702407 /nfs/dbraw/zinc/70/24/07/1019702407.db2.gz IYHYFALMVRHVQS-UHFFFAOYSA-N -1 0 320.309 -0.851 20 0 DBADRM Cn1nccc1[C@@H](NC[C@H](O)COC1CCOCC1)C(=O)[O-] ZINC001610616247 1019704333 /nfs/dbraw/zinc/70/43/33/1019704333.db2.gz YGMPCGAGUCKFHK-GXFFZTMASA-N -1 0 313.354 -0.308 20 0 DBADRM NC(=O)CCc1ccc(NC(=O)C(=O)NC2(C(=O)[O-])CC2)cc1 ZINC001610637548 1019705506 /nfs/dbraw/zinc/70/55/06/1019705506.db2.gz HKYMDSRZCWTWLD-UHFFFAOYSA-N -1 0 319.317 -0.224 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2csnc2C(=O)[O-])CCCC1 ZINC001610634720 1019707385 /nfs/dbraw/zinc/70/73/85/1019707385.db2.gz FEJGQLMGBAOWGN-UHFFFAOYSA-N -1 0 319.364 -0.082 20 0 DBADRM NC(=O)COc1ccccc1C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001610636979 1019707445 /nfs/dbraw/zinc/70/74/45/1019707445.db2.gz RQBUPYUXDSECJH-IWIIMEHWSA-N -1 0 304.302 -0.047 20 0 DBADRM NC(=O)c1ccc(=O)n(CC(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC001610639743 1019707839 /nfs/dbraw/zinc/70/78/39/1019707839.db2.gz YYXRQLMDIREYRO-UHFFFAOYSA-N -1 0 301.258 -0.077 20 0 DBADRM NC(=O)NCCC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001610638650 1019708588 /nfs/dbraw/zinc/70/85/88/1019708588.db2.gz UXVUBCYCVGDTAZ-UHFFFAOYSA-N -1 0 322.321 -0.112 20 0 DBADRM NC(=O)c1cn(C2CN(C(=O)c3ccc(C(=O)[O-])s3)C2)nn1 ZINC001610639942 1019708735 /nfs/dbraw/zinc/70/87/35/1019708735.db2.gz LGZFBSYUVUDJMH-UHFFFAOYSA-N -1 0 321.318 -0.166 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2CCC(O)(C(=O)[O-])CC2)cc1 ZINC001610641106 1019708974 /nfs/dbraw/zinc/70/89/74/1019708974.db2.gz PWESPJUZRQWYES-UHFFFAOYSA-N -1 0 322.317 -0.398 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1 ZINC001610640141 1019709239 /nfs/dbraw/zinc/70/92/39/1019709239.db2.gz GPQUSGZHATUGOW-VXGBXAGGSA-N -1 0 321.333 -0.238 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001610639229 1019709606 /nfs/dbraw/zinc/70/96/06/1019709606.db2.gz ONIRWPVBJOXLII-MRVPVSSYSA-N -1 0 318.293 -0.510 20 0 DBADRM NC(=O)CONC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001610637702 1019710241 /nfs/dbraw/zinc/71/02/41/1019710241.db2.gz JUYHOZRDFISLDL-UHFFFAOYSA-N -1 0 304.262 -0.283 20 0 DBADRM Nc1ccccc1S(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001610648271 1019712261 /nfs/dbraw/zinc/71/22/61/1019712261.db2.gz PELHTOVCAILXKB-DTWKUNHWSA-N -1 0 300.336 -0.275 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)o1 ZINC001610647919 1019712385 /nfs/dbraw/zinc/71/23/85/1019712385.db2.gz VHOPCMFEJATDEE-SSDOTTSWSA-N -1 0 318.307 -0.757 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])cn1 ZINC001610647883 1019713140 /nfs/dbraw/zinc/71/31/40/1019713140.db2.gz SHSAOBDBGHUUMM-IUCAKERBSA-N -1 0 313.335 -0.288 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC001610660707 1019713746 /nfs/dbraw/zinc/71/37/46/1019713746.db2.gz MPORDOBIXHFDTP-SECBINFHSA-N -1 0 321.289 -0.946 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCc1nc(-c2ccccn2)no1 ZINC001610660033 1019714091 /nfs/dbraw/zinc/71/40/91/1019714091.db2.gz QZRSPDDMJVUCSE-VIFPVBQESA-N -1 0 306.278 -0.374 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 ZINC001610662710 1019714368 /nfs/dbraw/zinc/71/43/68/1019714368.db2.gz NQAGCPNYAUKCQH-AAEUAGOBSA-N -1 0 300.355 -0.561 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)N[C@]1(C(=O)[O-])CCSC1 ZINC001610655039 1019715318 /nfs/dbraw/zinc/71/53/18/1019715318.db2.gz WXGXTLBMAFTJIN-CYBMUJFWSA-N -1 0 316.379 -0.298 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)CN1CC[C@H](CO)[C@H](O)C1 ZINC001610662126 1019715499 /nfs/dbraw/zinc/71/54/99/1019715499.db2.gz ALIFVPSVXZYPIQ-ZWNOBZJWSA-N -1 0 308.334 -0.002 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)N[C@@]1(C(=O)[O-])CCSC1 ZINC001610655040 1019716134 /nfs/dbraw/zinc/71/61/34/1019716134.db2.gz WXGXTLBMAFTJIN-ZDUSSCGKSA-N -1 0 316.379 -0.298 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)Cn2cnc3c2CCCC3)nn1 ZINC001610678433 1019717438 /nfs/dbraw/zinc/71/74/38/1019717438.db2.gz AMMOVHAKVNPCLI-UHFFFAOYSA-N -1 0 318.337 -0.132 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CNC(=O)c1ccc(F)cc1F ZINC001610665906 1019718048 /nfs/dbraw/zinc/71/80/48/1019718048.db2.gz NOWRGRBUYVKMQK-VIFPVBQESA-N -1 0 302.233 -0.744 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC(C2CC2)C2CC2)C1 ZINC001610681505 1019718740 /nfs/dbraw/zinc/71/87/40/1019718740.db2.gz MULSMXLAVYYNDW-GHMZBOCLSA-N -1 0 310.350 -0.415 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@@H](CO)Cc2ccncc2)nn1 ZINC001610677113 1019719017 /nfs/dbraw/zinc/71/90/17/1019719017.db2.gz IFFJYJGCNDCSMS-SNVBAGLBSA-N -1 0 305.294 -0.909 20 0 DBADRM CC1(CC(=O)NCCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC1 ZINC001575761664 1019718898 /nfs/dbraw/zinc/71/88/98/1019718898.db2.gz GIEKJHYOLVSASI-UHFFFAOYSA-N -1 0 319.325 -0.565 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCc2ccc(O)cc2)C1 ZINC001610697763 1019719981 /nfs/dbraw/zinc/71/99/81/1019719981.db2.gz YZFWJXXWDFXDSV-ZYHUDNBSSA-N -1 0 322.317 -0.698 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCc2ccc(O)cc2)C1 ZINC001610697762 1019720599 /nfs/dbraw/zinc/72/05/99/1019720599.db2.gz YZFWJXXWDFXDSV-PWSUYJOCSA-N -1 0 322.317 -0.698 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 ZINC001610686136 1019720842 /nfs/dbraw/zinc/72/08/42/1019720842.db2.gz IDPPNMBJOAPPKV-ONGXEEELSA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC001610696038 1019720951 /nfs/dbraw/zinc/72/09/51/1019720951.db2.gz ZBXCOZSKJZUOFC-STQMWFEESA-N -1 0 320.345 -0.218 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001610695807 1019721175 /nfs/dbraw/zinc/72/11/75/1019721175.db2.gz QUWQLXPFOGSUAR-QWRGUYRKSA-N -1 0 313.354 -0.524 20 0 DBADRM CC/C(C)=C/C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001506095075 1019721104 /nfs/dbraw/zinc/72/11/04/1019721104.db2.gz QFRMBSCPCZDOQZ-UXBLZVDNSA-N -1 0 309.370 -0.080 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCc2nnc[nH]2)cc1 ZINC001610695708 1019721329 /nfs/dbraw/zinc/72/13/29/1019721329.db2.gz QHCPVUNXQQQZPO-UHFFFAOYSA-N -1 0 303.278 -0.200 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(C(=O)C(=O)N[C@H]1[C@@H]3COC[C@@H]31)CC2 ZINC001610702244 1019722214 /nfs/dbraw/zinc/72/22/14/1019722214.db2.gz WXDBAQOGJYWOKM-ZRUFSTJUSA-N -1 0 308.334 -0.539 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@H](O)C2CCOCC2)CCC1 ZINC001610727176 1019723293 /nfs/dbraw/zinc/72/32/93/1019723293.db2.gz CDZJEDPIWVJWRS-NSHDSACASA-N -1 0 321.395 -0.052 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001610714932 1019723515 /nfs/dbraw/zinc/72/35/15/1019723515.db2.gz AEXBJXAEGSUOSD-NWDGAFQWSA-N -1 0 306.318 -0.009 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(S(=O)(=O)CC[C@H]2CCCO2)C1 ZINC001610734152 1019725235 /nfs/dbraw/zinc/72/52/35/1019725235.db2.gz AFLCHROPHUCUEI-OUAUKWLOSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)CC2CC2)CCS(=O)(=O)CC1 ZINC001610729165 1019725307 /nfs/dbraw/zinc/72/53/07/1019725307.db2.gz SMCCZDILUQGANZ-UHFFFAOYSA-N -1 0 311.381 -0.652 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)[C@@H]1CCCCS1(=O)=O ZINC001610733376 1019726313 /nfs/dbraw/zinc/72/63/13/1019726313.db2.gz RUGAIQCJVXNEEU-GUBZILKMSA-N -1 0 305.352 -0.610 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2Cc3ccccc3C2)C1 ZINC001610736072 1019726704 /nfs/dbraw/zinc/72/67/04/1019726704.db2.gz VFFADJNSYXYXSO-OLZOCXBDSA-N -1 0 318.329 -0.177 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC[C@H](O)CN2CCCC2=O)C1 ZINC001610739981 1019727381 /nfs/dbraw/zinc/72/73/81/1019727381.db2.gz CHZOOALQRWQHHX-UTUOFQBUSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)NN1CCCNC1=O ZINC001610743659 1019728430 /nfs/dbraw/zinc/72/84/30/1019728430.db2.gz KIJSBFOROKZGEQ-BDAKNGLRSA-N -1 0 305.356 -0.121 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CC(=O)N(CC3CC3)C2)CC1 ZINC001610743298 1019729871 /nfs/dbraw/zinc/72/98/71/1019729871.db2.gz VZBMQBGECKAGNQ-UHFFFAOYSA-N -1 0 309.366 -0.179 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cc1[nH]nc2ccccc21 ZINC001610759689 1019730249 /nfs/dbraw/zinc/73/02/49/1019730249.db2.gz CZCQRJKZSIMQAE-LBPRGKRZSA-N -1 0 316.317 -0.093 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1Cc1nnn(CC(F)(F)F)n1 ZINC001610761499 1019730586 /nfs/dbraw/zinc/73/05/86/1019730586.db2.gz DYERNQDTPHTZGV-LURJTMIESA-N -1 0 322.247 -0.990 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)CC1 ZINC001610760871 1019730678 /nfs/dbraw/zinc/73/06/78/1019730678.db2.gz CRXWLJBRTGRTHJ-GFCCVEGCSA-N -1 0 309.366 -0.241 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)CCO1 ZINC001610762387 1019731552 /nfs/dbraw/zinc/73/15/52/1019731552.db2.gz DSEXDLRNDJUENA-RHYQMDGZSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCOC2)CCO1 ZINC001610763397 1019732906 /nfs/dbraw/zinc/73/29/06/1019732906.db2.gz QLRNEXWWBYRVOZ-QWRGUYRKSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])CCCc1nnc(NC(=O)N[C@H]2CNC(=O)C2)s1 ZINC001610772199 1019733594 /nfs/dbraw/zinc/73/35/94/1019733594.db2.gz NNYUTBGGAKDWEV-ZCFIWIBFSA-N -1 0 313.339 -0.045 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCN(c2ccnc(F)c2)CC1 ZINC001610774370 1019733627 /nfs/dbraw/zinc/73/36/27/1019733627.db2.gz RPVSBIIGQCALRL-UHFFFAOYSA-N -1 0 310.329 -0.066 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)C1CCS(=O)(=O)CC1 ZINC001610764499 1019734181 /nfs/dbraw/zinc/73/41/81/1019734181.db2.gz PDMWKBLCHPFXCH-SNVBAGLBSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001610771312 1019734509 /nfs/dbraw/zinc/73/45/09/1019734509.db2.gz KVLUITQEFLFSNS-BDAKNGLRSA-N -1 0 306.340 -0.389 20 0 DBADRM O=C([O-])CNC(=O)CN1CCNC(=O)[C@H]1CC1CCCCC1 ZINC001610782369 1019735777 /nfs/dbraw/zinc/73/57/77/1019735777.db2.gz YXDZNRHAMPMMCL-GFCCVEGCSA-N -1 0 311.382 -0.042 20 0 DBADRM O=C([O-])CNC(=O)C[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC001610781884 1019736540 /nfs/dbraw/zinc/73/65/40/1019736540.db2.gz QNWIQJPCUDMCNM-HNNXBMFYSA-N -1 0 303.318 -0.217 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CNC(=O)Cc1ccccc1 ZINC001610784136 1019736981 /nfs/dbraw/zinc/73/69/81/1019736981.db2.gz WPOZLWIEYNACNE-UHFFFAOYSA-N -1 0 308.290 -0.911 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc2ccccc2c(=O)o1 ZINC001610782236 1019737025 /nfs/dbraw/zinc/73/70/25/1019737025.db2.gz LAMFLTJHHYKWPV-UHFFFAOYSA-N -1 0 304.258 -0.276 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)Cn1cc(Cl)cn1 ZINC001610784670 1019737093 /nfs/dbraw/zinc/73/70/93/1019737093.db2.gz ZTANZQZTWVCMGZ-VIFPVBQESA-N -1 0 314.729 -0.272 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc(OCC(F)F)ccn1 ZINC001610782362 1019737382 /nfs/dbraw/zinc/73/73/82/1019737382.db2.gz YFXWHLKHIPKUIS-UHFFFAOYSA-N -1 0 317.248 -0.344 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)n[nH]1 ZINC001610798345 1019739077 /nfs/dbraw/zinc/73/90/77/1019739077.db2.gz FKMMBBXEPHOFQW-QMMMGPOBSA-N -1 0 307.310 -0.229 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2C[C@H](O)C3(CC3)C2)cn1 ZINC001610800444 1019739140 /nfs/dbraw/zinc/73/91/40/1019739140.db2.gz YTTOWHYUFDKSSV-VIFPVBQESA-N -1 0 301.324 -0.887 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccccc3)C[C@@H]21 ZINC001610803184 1019739707 /nfs/dbraw/zinc/73/97/07/1019739707.db2.gz PENGRJOBUFOKBX-PJXYFTJBSA-N -1 0 324.358 -0.246 20 0 DBADRM O=C([O-])[C@]12CN(Cn3nc4cnccn4c3=O)C[C@H]1COCC2 ZINC001610804130 1019740310 /nfs/dbraw/zinc/74/03/10/1019740310.db2.gz NKEPORQOFFRCOZ-IINYFYTJSA-N -1 0 319.321 -0.728 20 0 DBADRM O=C([O-])c1ccccc1CS(=O)(=O)N(CCO)CCCO ZINC001610853737 1019741756 /nfs/dbraw/zinc/74/17/56/1019741756.db2.gz CTEHAIRLFOPLIL-UHFFFAOYSA-N -1 0 317.363 -0.109 20 0 DBADRM O=C([O-])c1c(N2CC[C@H](CO)C2)ncnc1N1CC[C@H](CO)C1 ZINC001610807334 1019741869 /nfs/dbraw/zinc/74/18/69/1019741869.db2.gz RTBDJBIUCIVHTC-QWRGUYRKSA-N -1 0 322.365 -0.188 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCOC[C@H]2CC(F)F)nn1 ZINC001610859159 1019742448 /nfs/dbraw/zinc/74/24/48/1019742448.db2.gz KRMJOYRIYJNQLT-SSDOTTSWSA-N -1 0 304.253 -0.141 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)o1 ZINC001610838562 1019742760 /nfs/dbraw/zinc/74/27/60/1019742760.db2.gz HIWULWWFOMYTIH-UHFFFAOYSA-N -1 0 300.292 -0.069 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N[C@@H](CO)CN2CCOCC2)c1 ZINC001610856971 1019743604 /nfs/dbraw/zinc/74/36/04/1019743604.db2.gz YKSYEVUFGQOZPC-LLVKDONJSA-N -1 0 309.322 -0.797 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1C[C@H](O)C2(CC2)C1 ZINC001610872232 1019744070 /nfs/dbraw/zinc/74/40/70/1019744070.db2.gz CGEGWBHGEJRJEH-ZETCQYMHSA-N -1 0 304.349 -0.013 20 0 DBADRM O=C([O-])c1cn(CN2CCC[C@H](C(=O)N3CCOCC3)C2)nn1 ZINC001610860479 1019747490 /nfs/dbraw/zinc/74/74/90/1019747490.db2.gz VCILUYWABBPDDV-NSHDSACASA-N -1 0 323.353 -0.495 20 0 DBADRM O=C([O-])c1cncc(C(=O)N[C@@H](CO)CN2CCOCC2)c1 ZINC001610862171 1019747609 /nfs/dbraw/zinc/74/76/09/1019747609.db2.gz QPIAOAZMFDCXFQ-GFCCVEGCSA-N -1 0 309.322 -0.797 20 0 DBADRM O=C([O-])[C@@H](CF)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001610886556 1019747698 /nfs/dbraw/zinc/74/76/98/1019747698.db2.gz DIJASMMVABDWOD-MRVPVSSYSA-N -1 0 318.282 -0.282 20 0 DBADRM O=C([O-])c1cn(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)nn1 ZINC001610860115 1019747872 /nfs/dbraw/zinc/74/78/72/1019747872.db2.gz LPVSKWIZOJQSHC-VIFPVBQESA-N -1 0 300.340 -0.415 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2CCN(CCCO)CC2)c1 ZINC001610867526 1019747967 /nfs/dbraw/zinc/74/79/67/1019747967.db2.gz MJNMSUHLUSMXSV-UHFFFAOYSA-N -1 0 318.351 -0.334 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1CC[C@@](F)(CO)C1 ZINC001610872794 1019748544 /nfs/dbraw/zinc/74/85/44/1019748544.db2.gz JVTVFJRDEBMSEN-VIFPVBQESA-N -1 0 310.328 -0.064 20 0 DBADRM O=C([O-])c1ccc(OC[C@H](O)CN2CC3(C2)CNC(=O)O3)cc1 ZINC001610886216 1019748563 /nfs/dbraw/zinc/74/85/63/1019748563.db2.gz FFKHPNUGNVIHKF-LLVKDONJSA-N -1 0 322.317 -0.081 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CC(=O)NC1=O)c1cccc(O)c1 ZINC001610885996 1019748751 /nfs/dbraw/zinc/74/87/51/1019748751.db2.gz NJYFSHMDZBPIAT-NSHDSACASA-N -1 0 307.262 -0.814 20 0 DBADRM CCn1nc(C)c(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])n1 ZINC001610887725 1019749634 /nfs/dbraw/zinc/74/96/34/1019749634.db2.gz NQOPAEWPDIGWJF-VIFPVBQESA-N -1 0 311.342 -0.342 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC001610920434 1019749692 /nfs/dbraw/zinc/74/96/92/1019749692.db2.gz DHFZWVCNCVAILM-FQEVSTJZSA-N -1 0 306.384 -0.417 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCOc1ccc(S(N)(=O)=O)cc1 ZINC001610908413 1019750059 /nfs/dbraw/zinc/75/00/59/1019750059.db2.gz DVXJAICRPRVXSE-UHFFFAOYSA-N -1 0 316.335 -0.354 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001610886926 1019750114 /nfs/dbraw/zinc/75/01/14/1019750114.db2.gz LQPNSNVHQQKRLV-BDAKNGLRSA-N -1 0 321.289 -0.680 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC2=NCC(=O)N2)c2ccccc12 ZINC001610887280 1019750130 /nfs/dbraw/zinc/75/01/30/1019750130.db2.gz RGWTWDGIDBRUEL-UHFFFAOYSA-N -1 0 300.274 -0.059 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCc1nnc2n1CCCCC2 ZINC001610920388 1019750241 /nfs/dbraw/zinc/75/02/41/1019750241.db2.gz ALZXWFCRMVHFBZ-UHFFFAOYSA-N -1 0 323.353 -0.446 20 0 DBADRM CN(C[C@@H]1CCCN(C(=O)CCC(=O)[O-])C1)S(C)(=O)=O ZINC001610920710 1019750850 /nfs/dbraw/zinc/75/08/50/1019750850.db2.gz UWWCSHSOZUMEFC-JTQLQIEISA-N -1 0 306.384 -0.019 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC001610968627 1019754279 /nfs/dbraw/zinc/75/42/79/1019754279.db2.gz HUFNASVKINFELE-DTWKUNHWSA-N -1 0 300.311 -0.813 20 0 DBADRM C[C@H](NC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001611108662 1019756179 /nfs/dbraw/zinc/75/61/79/1019756179.db2.gz ZROHOFZRQHASHK-YUMQZZPRSA-N -1 0 316.339 -0.163 20 0 DBADRM COc1cc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])ccc1F ZINC001611037618 1019756216 /nfs/dbraw/zinc/75/62/16/1019756216.db2.gz JMGOUHNSTWESGS-NSHDSACASA-N -1 0 307.299 -0.052 20 0 DBADRM CO[C@H](C)c1noc(C[S@](=O)CC(=O)NCC(=O)[O-])n1 ZINC001610990538 1019756299 /nfs/dbraw/zinc/75/62/99/1019756299.db2.gz AAOJYODKDVWKEY-PXKKQCTMSA-N -1 0 305.312 -0.774 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1)C(=O)[O-] ZINC001611104149 1019756315 /nfs/dbraw/zinc/75/63/15/1019756315.db2.gz IDBNVFXXSVVJMH-QMMMGPOBSA-N -1 0 305.290 -0.049 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N(CC(=O)[O-])C(C)C)nn2)no1 ZINC001611238214 1019758190 /nfs/dbraw/zinc/75/81/90/1019758190.db2.gz NPEJDBUAXYWELU-UHFFFAOYSA-N -1 0 308.298 -0.047 20 0 DBADRM Cc1c(Cl)cncc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001611122571 1019758408 /nfs/dbraw/zinc/75/84/08/1019758408.db2.gz XRNFOYXPWPBFKR-GFCCVEGCSA-N -1 0 315.713 -0.066 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])cn2ccnc12 ZINC001611150589 1019758782 /nfs/dbraw/zinc/75/87/82/1019758782.db2.gz QDCFQRBRRAPIHL-AWEZNQCLSA-N -1 0 320.305 -0.467 20 0 DBADRM Cc1cnc(CS(=O)(=O)CCS(=O)(=O)CC(=O)[O-])cn1 ZINC001611215943 1019759784 /nfs/dbraw/zinc/75/97/84/1019759784.db2.gz ZXXWGEQYTINUAH-UHFFFAOYSA-N -1 0 322.364 -0.801 20 0 DBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)N(C)CCC(=O)[O-])c1C ZINC001611260172 1019760513 /nfs/dbraw/zinc/76/05/13/1019760513.db2.gz JCVKTYGTFZSJSN-UHFFFAOYSA-N -1 0 310.310 -0.652 20 0 DBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c(F)c1 ZINC001611309367 1019760825 /nfs/dbraw/zinc/76/08/25/1019760825.db2.gz BWMZSCHQCKAVNG-SNVBAGLBSA-N -1 0 323.280 -0.061 20 0 DBADRM Nc1nccc([C@@H]2CCCN(C(=O)[C@H]3CC(C(=O)[O-])=NO3)C2)n1 ZINC001611313697 1019761112 /nfs/dbraw/zinc/76/11/12/1019761112.db2.gz IAKJFNWQYDBZRO-LDYMZIIASA-N -1 0 319.321 -0.006 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)NCCn2cccn2)CC1 ZINC001611338607 1019761237 /nfs/dbraw/zinc/76/12/37/1019761237.db2.gz ZYUBNCLNPJTEOL-UHFFFAOYSA-N -1 0 308.338 -0.241 20 0 DBADRM O=C(CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-])NC1CCCC1 ZINC001611322652 1019761948 /nfs/dbraw/zinc/76/19/48/1019761948.db2.gz TZQYMOJPTXMJML-SNVBAGLBSA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)NCCc2cnccn2)CC1 ZINC001611338512 1019762014 /nfs/dbraw/zinc/76/20/14/1019762014.db2.gz IQGCSNZAJNOENK-UHFFFAOYSA-N -1 0 306.322 -0.542 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001611401862 1019762866 /nfs/dbraw/zinc/76/28/66/1019762866.db2.gz RXOSTTQNMUDOMF-HOTUBEGUSA-N -1 0 303.336 -0.877 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)N1CCCCC1 ZINC001611402037 1019762945 /nfs/dbraw/zinc/76/29/45/1019762945.db2.gz XSBDWIZJVSGQQZ-SNVBAGLBSA-N -1 0 304.368 -0.818 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CCOC[C@@H]1CCCO1 ZINC001611401350 1019763152 /nfs/dbraw/zinc/76/31/52/1019763152.db2.gz BWYLOTHAUFKDDD-QWRGUYRKSA-N -1 0 307.368 -0.634 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC001611374852 1019763245 /nfs/dbraw/zinc/76/32/45/1019763245.db2.gz PBTUOBGSBTZILS-GARJFASQSA-N -1 0 306.318 -0.129 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](n3ccnc3)C2)C1 ZINC001611369629 1019764244 /nfs/dbraw/zinc/76/42/44/1019764244.db2.gz AJQYCWSLURCJQL-RYUDHWBXSA-N -1 0 320.349 -0.020 20 0 DBADRM O=C([O-])CNC(=O)CN1CCOC[C@@H]1CC(=O)c1ccco1 ZINC001611471114 1019766433 /nfs/dbraw/zinc/76/64/33/1019766433.db2.gz UHPPVTSLMRWEJT-JTQLQIEISA-N -1 0 310.306 -0.246 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)c1 ZINC001611501667 1019767938 /nfs/dbraw/zinc/76/79/38/1019767938.db2.gz LZPHCZYLIIBNMB-JTQLQIEISA-N -1 0 305.290 -0.743 20 0 DBADRM O=C([O-])c1cnc(C(=O)OCCCN2C(=O)CNC2=O)cn1 ZINC001611568964 1019769002 /nfs/dbraw/zinc/76/90/02/1019769002.db2.gz ALOIPGDUMJAEBP-UHFFFAOYSA-N -1 0 308.250 -0.727 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCO[C@H](c2ncon2)C1 ZINC001611552761 1019769202 /nfs/dbraw/zinc/76/92/02/1019769202.db2.gz JVCPOFDKFYWDER-VIFPVBQESA-N -1 0 316.277 -0.381 20 0 DBADRM Cc1cc(F)cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1N ZINC001611575975 1019769642 /nfs/dbraw/zinc/76/96/42/1019769642.db2.gz LCZGIIZTXNAQBE-UHFFFAOYSA-N -1 0 317.342 -0.088 20 0 DBADRM Cn1cnc(/C=C/C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC001611575809 1019770894 /nfs/dbraw/zinc/77/08/94/1019770894.db2.gz IWQDLSNVTSHRRT-ONEGZZNKSA-N -1 0 300.340 -0.985 20 0 DBADRM CCS(=O)(=O)c1ccc(C(=O)NCC(=O)[N-]OC)cc1 ZINC001616310775 1019776716 /nfs/dbraw/zinc/77/67/16/1019776716.db2.gz FEGQEKYZTKUUEX-UHFFFAOYSA-N -1 0 300.336 -0.112 20 0 DBADRM O=C(c1ccnc2[nH]cnc21)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001616142821 1019777941 /nfs/dbraw/zinc/77/79/41/1019777941.db2.gz VYXKGLGQEPDGHQ-MRVPVSSYSA-N -1 0 300.282 -0.315 20 0 DBADRM C[C@H](C(=O)NC[C@H]1C[C@@H](C)O[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001575971549 1019779526 /nfs/dbraw/zinc/77/95/26/1019779526.db2.gz YACTWUJPVVFSFA-DOLQZWNJSA-N -1 0 320.357 -0.051 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCc2nc[nH]c(=O)c2C1 ZINC001616764620 1019783248 /nfs/dbraw/zinc/78/32/48/1019783248.db2.gz HCWJXDJUDHTCRV-UHFFFAOYSA-N -1 0 312.289 -0.283 20 0 DBADRM CS(=O)(=O)C1(C(=O)[N-]OC2CCOCC2)CCOCC1 ZINC001617118844 1019784288 /nfs/dbraw/zinc/78/42/88/1019784288.db2.gz UIBQXIRZIFHGEH-UHFFFAOYSA-N -1 0 307.368 -0.193 20 0 DBADRM CN(C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)c1nnn[n-]1 ZINC001617642917 1019786104 /nfs/dbraw/zinc/78/61/04/1019786104.db2.gz WFVJJQASZMQBNK-UHFFFAOYSA-N -1 0 303.286 -0.822 20 0 DBADRM Cn1cccc1C(=O)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001617702876 1019786520 /nfs/dbraw/zinc/78/65/20/1019786520.db2.gz FUOYBVYQGKXCOJ-UHFFFAOYSA-N -1 0 304.310 -0.769 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001576014934 1019789752 /nfs/dbraw/zinc/78/97/52/1019789752.db2.gz MBBQNNMDONOTMG-HTQZYQBOSA-N -1 0 309.326 -0.435 20 0 DBADRM CO[N-]C(=O)CNC(=O)/C=C/c1ccc(S(C)(=O)=O)o1 ZINC001618153845 1019792262 /nfs/dbraw/zinc/79/22/62/1019792262.db2.gz PFEXXCLPNGEWGE-HWKANZROSA-N -1 0 302.308 -0.510 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)[N-]N2C(=O)N[C@@](C)(CC)C2=O)nn1 ZINC001618561414 1019794455 /nfs/dbraw/zinc/79/44/55/1019794455.db2.gz ZFXQFSSOWCIFIJ-SDBXPKJASA-N -1 0 324.341 -0.586 20 0 DBADRM C[C@@H]1C[C@@H]1CNC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576097680 1019810263 /nfs/dbraw/zinc/81/02/63/1019810263.db2.gz QJZBPSMEOVJWNL-HTQZYQBOSA-N -1 0 319.325 -0.709 20 0 DBADRM C[C@H]1CC[C@H]1NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576143559 1019814611 /nfs/dbraw/zinc/81/46/11/1019814611.db2.gz VRYZNLAXTZHNMD-POYBYMJQSA-N -1 0 305.298 -0.956 20 0 DBADRM C[C@@H]1CN(C(=O)C2CC2)C[C@@H]1Nc1ccnc(-c2nnn[n-]2)n1 ZINC001576231746 1019827219 /nfs/dbraw/zinc/82/72/19/1019827219.db2.gz IEEIWFJKRRJABL-SCZZXKLOSA-N -1 0 314.353 -0.253 20 0 DBADRM CC(C)C(=O)N[C@@]1(C)CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001506395231 1019839799 /nfs/dbraw/zinc/83/97/99/1019839799.db2.gz STRPQLUYNSZTIA-HNNXBMFYSA-N -1 0 322.365 -0.137 20 0 DBADRM CCC(=O)N[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001576445107 1019850822 /nfs/dbraw/zinc/85/08/22/1019850822.db2.gz OYSFGNAVXKEVRG-DTWKUNHWSA-N -1 0 318.341 -0.878 20 0 DBADRM CC[C@](C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(N)=O ZINC001576558843 1019867302 /nfs/dbraw/zinc/86/73/02/1019867302.db2.gz ZAQLFXHYZDNVFZ-JTQLQIEISA-N -1 0 314.327 -0.608 20 0 DBADRM CC[C@@H](C)[C@@H](C)NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576601640 1019873174 /nfs/dbraw/zinc/87/31/74/1019873174.db2.gz VARFZUSBLGPPDH-HTQZYQBOSA-N -1 0 321.341 -0.320 20 0 DBADRM C[C@H](NC(=O)CCc1c[nH]cn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001506627351 1019878497 /nfs/dbraw/zinc/87/84/97/1019878497.db2.gz QHWMZTIJOOCIAO-VIFPVBQESA-N -1 0 319.369 -0.197 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001506732993 1019893836 /nfs/dbraw/zinc/89/38/36/1019893836.db2.gz WJZDYLFNVPLQEY-SNVBAGLBSA-N -1 0 324.385 -0.685 20 0 DBADRM C[C@H]1Cn2nc(C(=O)N3CCC[C@H](c4nnn[n-]4)C3)cc2CN1 ZINC001576871543 1019910679 /nfs/dbraw/zinc/91/06/79/1019910679.db2.gz FPWZVONFMKYALJ-UWVGGRQHSA-N -1 0 316.369 -0.092 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCN(C)C(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC001576959201 1019965818 /nfs/dbraw/zinc/96/58/18/1019965818.db2.gz SCIIRAXFYODRDS-VIFPVBQESA-N -1 0 323.353 -0.719 20 0 DBADRM CC[C@H](F)C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576965370 1019966520 /nfs/dbraw/zinc/96/65/20/1019966520.db2.gz JHINRXUITGXPAG-YIZRAAEISA-N -1 0 320.332 -0.114 20 0 DBADRM CC[C@H](NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C1CC1 ZINC001576975810 1019972968 /nfs/dbraw/zinc/97/29/68/1019972968.db2.gz PKIZDBULTTUKKA-VIFPVBQESA-N -1 0 319.325 -0.566 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H](c1cn[nH]n1)c1ccccc1 ZINC001577025934 1019988956 /nfs/dbraw/zinc/98/89/56/1019988956.db2.gz QBVQWLMPGVUDJU-LBPRGKRZSA-N -1 0 304.310 -0.129 20 0 DBADRM CN(CCOCCNC(=O)c1cccnn1)Cc1n[nH]c(=O)[n-]1 ZINC001506977450 1020032037 /nfs/dbraw/zinc/03/20/37/1020032037.db2.gz MFIAVTRQUBXXQD-UHFFFAOYSA-N -1 0 321.341 -0.821 20 0 DBADRM CCCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001577225708 1020035088 /nfs/dbraw/zinc/03/50/88/1020035088.db2.gz YPDBRWHPAAVQIU-DTORHVGOSA-N -1 0 302.342 -0.062 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1=CCCC1 ZINC001577222070 1020035726 /nfs/dbraw/zinc/03/57/26/1020035726.db2.gz QKSLVDKWWVHQEK-UHFFFAOYSA-N -1 0 321.337 -0.029 20 0 DBADRM CCC[C@@H](C)NC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001577301361 1020049365 /nfs/dbraw/zinc/04/93/65/1020049365.db2.gz UPYIKBJKZZRSNW-MRVPVSSYSA-N -1 0 321.341 -0.176 20 0 DBADRM CCC[C@H](CCO)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001577322517 1020051213 /nfs/dbraw/zinc/05/12/13/1020051213.db2.gz JJFUQYIFGURSIH-SECBINFHSA-N -1 0 323.361 -0.692 20 0 DBADRM CCCN(C)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001577546777 1020080791 /nfs/dbraw/zinc/08/07/91/1020080791.db2.gz ALYNOIQODIKSIX-UHFFFAOYSA-N -1 0 322.329 -0.820 20 0 DBADRM Cc1nc(CN[C@@H](C)CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)co1 ZINC001507096664 1020087502 /nfs/dbraw/zinc/08/75/02/1020087502.db2.gz RSBCWXOSQJGFJR-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM Cc1cc(CN[C@@H](C)CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001507096426 1020088184 /nfs/dbraw/zinc/08/81/84/1020088184.db2.gz PIFOXQIFXSVPDM-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM CCN(CCC(=O)NC)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001577909521 1020140840 /nfs/dbraw/zinc/14/08/40/1020140840.db2.gz WAVCYDPEYHRJAK-MRVPVSSYSA-N -1 0 321.345 -0.996 20 0 DBADRM CCN(CCNC(=O)[C@H](C)OC)c1ccnc(-c2nnn[n-]2)n1 ZINC001577927380 1020145721 /nfs/dbraw/zinc/14/57/21/1020145721.db2.gz WSDAJZVQPCQSLA-VIFPVBQESA-N -1 0 320.357 -0.366 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2csnn2)c1[O-] ZINC001507187982 1020151063 /nfs/dbraw/zinc/15/10/63/1020151063.db2.gz ISKGXHCLJSYDAE-SSDOTTSWSA-N -1 0 312.355 -0.844 20 0 DBADRM CCN1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nn[nH]n3)c[nH]1)CO2 ZINC001578214900 1020204193 /nfs/dbraw/zinc/20/41/93/1020204193.db2.gz GFPSLQFFDDYESJ-SNVBAGLBSA-N -1 0 317.353 -0.212 20 0 DBADRM CCN1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nn[nH]n3)c1)CO2 ZINC001578215226 1020204361 /nfs/dbraw/zinc/20/43/61/1020204361.db2.gz KRWMMNGTMSCINR-JTQLQIEISA-N -1 0 317.353 -0.212 20 0 DBADRM CCN1CCOC[C@H]1C(=O)NCc1ccnc(-c2nn[nH]n2)c1 ZINC001578227866 1020204551 /nfs/dbraw/zinc/20/45/51/1020204551.db2.gz YIOAFXWLOGJNNI-LBPRGKRZSA-N -1 0 317.353 -0.401 20 0 DBADRM CCN1C[C@@H](NC(=O)Cc2noc(C)c2-c2nn[nH]n2)CC1=O ZINC001578215214 1020204587 /nfs/dbraw/zinc/20/45/87/1020204587.db2.gz KOEGJNOKBRDJDV-QMMMGPOBSA-N -1 0 319.325 -0.557 20 0 DBADRM CCNC(=O)CNC(=O)Nc1cc(C)c(-c2nn[nH]n2)cn1 ZINC001578237923 1020205358 /nfs/dbraw/zinc/20/53/58/1020205358.db2.gz WRJWSZBSEMBSHN-UHFFFAOYSA-N -1 0 304.314 -0.172 20 0 DBADRM O=C(CCc1ccccn1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001507223887 1020207161 /nfs/dbraw/zinc/20/71/61/1020207161.db2.gz CDRKYWFNBIFPTG-LLVKDONJSA-N -1 0 320.353 -0.895 20 0 DBADRM CCO[C@H](C)C(=O)N[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001578296069 1020211283 /nfs/dbraw/zinc/21/12/83/1020211283.db2.gz HWQYBDLTDGHYAJ-RKDXNWHRSA-N -1 0 320.357 -0.580 20 0 DBADRM CCOCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578364743 1020221706 /nfs/dbraw/zinc/22/17/06/1020221706.db2.gz FUSWWTRMIPCHPR-DTORHVGOSA-N -1 0 318.341 -0.248 20 0 DBADRM CCOCC(=O)NCCCNc1ccc(-c2nn[nH]n2)nn1 ZINC001578362217 1020221955 /nfs/dbraw/zinc/22/19/55/1020221955.db2.gz CTUFKOCBXIGODG-UHFFFAOYSA-N -1 0 306.330 -0.389 20 0 DBADRM CCOCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001578364648 1020222845 /nfs/dbraw/zinc/22/28/45/1020222845.db2.gz AJLVOVGTEUNAQG-DTORHVGOSA-N -1 0 318.341 -0.248 20 0 DBADRM CCOCC(=O)NCCN(C)c1ncc(-c2nn[nH]n2)cc1F ZINC001578362431 1020223386 /nfs/dbraw/zinc/22/33/86/1020223386.db2.gz KFIQSIIIOQJBGS-UHFFFAOYSA-N -1 0 323.332 -0.010 20 0 DBADRM CCc1nncn1CCNC(=O)c1ccc(-c2nn[nH]n2)n1C ZINC001578706108 1020284550 /nfs/dbraw/zinc/28/45/50/1020284550.db2.gz QJTGADZJQPZTJL-UHFFFAOYSA-N -1 0 315.341 -0.211 20 0 DBADRM CCc1nnc(N2C[C@@H](O)[C@H](OC)C2)c(-c2nn[nH]n2)c1CC ZINC001578704525 1020285105 /nfs/dbraw/zinc/28/51/05/1020285105.db2.gz JOCRMSMHTGXKOH-GHMZBOCLSA-N -1 0 319.369 -0.023 20 0 DBADRM CCc1nnc(N2CC(CO)(CO)C2)c(-c2nn[nH]n2)c1CC ZINC001578703759 1020285727 /nfs/dbraw/zinc/28/57/27/1020285727.db2.gz UPTGZYVOTRTOCL-UHFFFAOYSA-N -1 0 319.369 -0.428 20 0 DBADRM CN(C(=O)c1ccc(-c2nn[nH]n2)n1C)[C@H]1CCS(=O)(=O)C1 ZINC001578922365 1020330452 /nfs/dbraw/zinc/33/04/52/1020330452.db2.gz GRGOPZHKAZIHRA-QMMMGPOBSA-N -1 0 324.366 -0.536 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)Cc1ccc(-c2nn[nH]n2)nc1 ZINC001579266309 1020400510 /nfs/dbraw/zinc/40/05/10/1020400510.db2.gz HHNXOQWOWHLNRN-UHFFFAOYSA-N -1 0 316.281 -0.861 20 0 DBADRM CNC(=O)C1CN(C(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)C1 ZINC001579386289 1020437049 /nfs/dbraw/zinc/43/70/49/1020437049.db2.gz GXBNLNJBAGWLTQ-UHFFFAOYSA-N -1 0 317.309 -0.906 20 0 DBADRM COC(=O)[C@@H](C)CNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579432338 1020450192 /nfs/dbraw/zinc/45/01/92/1020450192.db2.gz QUEPKJXNVVBFCK-ZETCQYMHSA-N -1 0 320.309 -0.185 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2cnsn2)c1 ZINC001579477173 1020473836 /nfs/dbraw/zinc/47/38/36/1020473836.db2.gz CDEKHJDMCHVRCY-UHFFFAOYSA-N -1 0 319.306 -0.285 20 0 DBADRM COC(=O)c1cccnc1Cn1cncc(-c2nnn[n-]2)c1=O ZINC001579488396 1020475784 /nfs/dbraw/zinc/47/57/84/1020475784.db2.gz CAMQLZLKAKBGJD-UHFFFAOYSA-N -1 0 313.277 -0.347 20 0 DBADRM COC(=O)c1cnc(COc2cnc(-c3nnn[n-]3)nc2)cn1 ZINC001579489075 1020476043 /nfs/dbraw/zinc/47/60/43/1020476043.db2.gz LMGIDZNRULSRKK-UHFFFAOYSA-N -1 0 314.265 -0.188 20 0 DBADRM CO[C@@H](C)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001579532983 1020481299 /nfs/dbraw/zinc/48/12/99/1020481299.db2.gz DFXRKGHQOHWKBA-BDAKNGLRSA-N -1 0 320.357 -0.050 20 0 DBADRM CO[C@@H](C)C(=O)N(C)CCN(C)c1cncc(-c2nn[nH]n2)n1 ZINC001579532180 1020481932 /nfs/dbraw/zinc/48/19/32/1020481932.db2.gz HGPCZEZECLPSMH-VIFPVBQESA-N -1 0 320.357 -0.414 20 0 DBADRM CO[C@](C)([C@@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001579534128 1020485069 /nfs/dbraw/zinc/48/50/69/1020485069.db2.gz OKLCDTJJAWBERY-AMIZOPFISA-N -1 0 320.357 -0.222 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[nH]n1 ZINC001579540488 1020485137 /nfs/dbraw/zinc/48/51/37/1020485137.db2.gz RGWDRHRCYXAQDA-DTWKUNHWSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@H](C)C(=O)N[C@H](C)CN(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001579539348 1020487989 /nfs/dbraw/zinc/48/79/89/1020487989.db2.gz IDWVVBAFIHWAMI-RKDXNWHRSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@H](C)C(=O)N[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579544586 1020493477 /nfs/dbraw/zinc/49/34/77/1020493477.db2.gz JQSRFECWZNCOKK-BDAKNGLRSA-N -1 0 318.341 -0.614 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001579562919 1020497924 /nfs/dbraw/zinc/49/79/24/1020497924.db2.gz ZBZBNIKRTLHHOM-RKDXNWHRSA-N -1 0 320.357 -0.002 20 0 DBADRM COCC(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579617444 1020500858 /nfs/dbraw/zinc/50/08/58/1020500858.db2.gz DAOPQSRDLHAUQI-QMMMGPOBSA-N -1 0 321.341 -0.582 20 0 DBADRM COCC(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001579623762 1020505913 /nfs/dbraw/zinc/50/59/13/1020505913.db2.gz KJIIQLZFAAQEKA-DTWKUNHWSA-N -1 0 318.341 -0.438 20 0 DBADRM COCC(=O)N[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)C1CC1 ZINC001579632610 1020518833 /nfs/dbraw/zinc/51/88/33/1020518833.db2.gz DJSPVRYEMJGFSR-VIFPVBQESA-N -1 0 318.341 -0.968 20 0 DBADRM COCC(C)(C)CC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001579659064 1020531280 /nfs/dbraw/zinc/53/12/80/1020531280.db2.gz UKZHBKCVWXECPO-UHFFFAOYSA-N -1 0 308.346 -0.363 20 0 DBADRM COC[C@H](C)C(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001579678185 1020532733 /nfs/dbraw/zinc/53/27/33/1020532733.db2.gz CBZOZMGAOQHZHJ-IUCAKERBSA-N -1 0 320.357 -0.722 20 0 DBADRM C=C/C(C)=C/CC(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001579847839 1020571894 /nfs/dbraw/zinc/57/18/94/1020571894.db2.gz XTKWZJQBHHMGGJ-NAZIUFLLSA-N -1 0 323.353 -0.167 20 0 DBADRM CO[C@@H]1CCC[C@H]1Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001579850210 1020572428 /nfs/dbraw/zinc/57/24/28/1020572428.db2.gz NBYQDFJRCRIDRQ-HTQZYQBOSA-N -1 0 321.341 -0.757 20 0 DBADRM CC(C)=CC(=O)N1CC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001580012037 1020628140 /nfs/dbraw/zinc/62/81/40/1020628140.db2.gz BZDOTISKFDGALT-SNVBAGLBSA-N -1 0 323.353 -0.380 20 0 DBADRM CS(=O)(=O)c1ccc(Cn2cncc(-c3nnn[n-]3)c2=O)o1 ZINC001580171482 1020662521 /nfs/dbraw/zinc/66/25/21/1020662521.db2.gz RAQCORNAQAQIGF-UHFFFAOYSA-N -1 0 322.306 -0.532 20 0 DBADRM CS(=O)(=O)c1cnn(Cc2nc(-c3nn[nH]n3)cs2)c1 ZINC001580172073 1020663239 /nfs/dbraw/zinc/66/32/39/1020663239.db2.gz JVYAHAVQFJVXHC-UHFFFAOYSA-N -1 0 311.352 -0.029 20 0 DBADRM CS[C@H](C)C(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001580176407 1020665466 /nfs/dbraw/zinc/66/54/66/1020665466.db2.gz SJQDOZYNNGZZFE-MRVPVSSYSA-N -1 0 322.398 -0.300 20 0 DBADRM CS[C@@H](C)C(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001580189342 1020666226 /nfs/dbraw/zinc/66/62/26/1020666226.db2.gz IXTIVPJKXVGYRZ-YUMQZZPRSA-N -1 0 322.398 -0.253 20 0 DBADRM CS[C@@H](C)CC(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001580202542 1020668563 /nfs/dbraw/zinc/66/85/63/1020668563.db2.gz OFRZWKULAUERSL-QMMMGPOBSA-N -1 0 322.398 -0.252 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCOC1 ZINC001580290447 1020682792 /nfs/dbraw/zinc/68/27/92/1020682792.db2.gz KXTBTOHUPDCHRR-IUCAKERBSA-N -1 0 318.341 -0.968 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001580366662 1020702759 /nfs/dbraw/zinc/70/27/59/1020702759.db2.gz KHRPCFYNQOSDSI-KXUCPTDWSA-N -1 0 314.353 -0.253 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C1(C)CC1 ZINC001508982102 1020713660 /nfs/dbraw/zinc/71/36/60/1020713660.db2.gz VUPLGZCAGJNEAF-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001580449470 1020718404 /nfs/dbraw/zinc/71/84/04/1020718404.db2.gz KHRPCFYNQOSDSI-AEJSXWLSSA-N -1 0 314.353 -0.253 20 0 DBADRM O=C([C@@H]1NCCc2occc21)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001580489637 1020730935 /nfs/dbraw/zinc/73/09/35/1020730935.db2.gz RQDPKHMRXCVTLS-LLVKDONJSA-N -1 0 318.337 -0.510 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(Cc2cncc(F)c2)c(=O)n1C ZINC001580522023 1020741874 /nfs/dbraw/zinc/74/18/74/1020741874.db2.gz ITDWZXQWRWLQAF-UHFFFAOYSA-N -1 0 317.284 -0.382 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001580598056 1020759887 /nfs/dbraw/zinc/75/98/87/1020759887.db2.gz QAJHMWPVGCJQQV-RKDXNWHRSA-N -1 0 322.300 -0.179 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CCC[C@@H](O)C1 ZINC001580598501 1020760744 /nfs/dbraw/zinc/76/07/44/1020760744.db2.gz XZYOTGXTXZNHDD-MRVPVSSYSA-N -1 0 304.310 -0.127 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1C[C@H]2C[C@@]2(CO)C1 ZINC001580597760 1020760933 /nfs/dbraw/zinc/76/09/33/1020760933.db2.gz MEGYJSXPEPYGMJ-CLAHSXSESA-N -1 0 316.321 -0.270 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@@H]1CCN(C)C1=O ZINC001580600075 1020763832 /nfs/dbraw/zinc/76/38/32/1020763832.db2.gz AGRCOEULKNAOGA-MRVPVSSYSA-N -1 0 317.309 -0.764 20 0 DBADRM CC(=O)N1CC([C@@H](C)NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001509458944 1020793388 /nfs/dbraw/zinc/79/33/88/1020793388.db2.gz LQNQMLLECDHQSS-SSDOTTSWSA-N -1 0 309.326 -0.802 20 0 DBADRM Cc1cc(C(=O)NCC(=O)NCCO)cc(C)c1-c1nn[nH]n1 ZINC001580841924 1020803354 /nfs/dbraw/zinc/80/33/54/1020803354.db2.gz HHCLHMIZABMMFD-UHFFFAOYSA-N -1 0 318.337 -0.678 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@@H]2CCCNC2=O)c1[O-] ZINC001580851584 1020805879 /nfs/dbraw/zinc/80/58/79/1020805879.db2.gz ZSKYPEOYHZTNHE-SECBINFHSA-N -1 0 323.353 -0.862 20 0 DBADRM Cc1cc(C(=O)NCCc2nc(=O)o[n-]2)ncc1-c1nn[nH]n1 ZINC001580868034 1020809173 /nfs/dbraw/zinc/80/91/73/1020809173.db2.gz NRPKJYBIYDNAEC-UHFFFAOYSA-N -1 0 316.281 -0.781 20 0 DBADRM Cc1cc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)[nH]c(=O)n1 ZINC001580978796 1020818481 /nfs/dbraw/zinc/81/84/81/1020818481.db2.gz GBBIQLYTVQTWJH-ZCFIWIBFSA-N -1 0 316.285 -0.538 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)c(N2CCn3c(CO)nnc3C2)n1 ZINC001581083156 1020823146 /nfs/dbraw/zinc/82/31/46/1020823146.db2.gz UPPQFCNAUDODTC-UHFFFAOYSA-N -1 0 313.325 -0.326 20 0 DBADRM Cc1cccc(-c2nn[nH]n2)c1S(=O)(=O)[N-]c1nnn(C)n1 ZINC001581219122 1020828620 /nfs/dbraw/zinc/82/86/20/1020828620.db2.gz GZKXAXUIGBNOGZ-UHFFFAOYSA-N -1 0 321.326 -0.501 20 0 DBADRM Cc1ccc2c(n1)c(=O)c(-c1nnn[n-]1)cn2CCn1cnnn1 ZINC001581215640 1020829273 /nfs/dbraw/zinc/82/92/73/1020829273.db2.gz BUJPUVMOPHCMBH-UHFFFAOYSA-N -1 0 324.308 -0.428 20 0 DBADRM Cc1nnc(CNC(=O)NCc2ccc(-c3nn[nH]n3)cn2)[nH]1 ZINC001581400906 1020833220 /nfs/dbraw/zinc/83/32/20/1020833220.db2.gz KQQJIHOEGRKHRO-UHFFFAOYSA-N -1 0 314.313 -0.312 20 0 DBADRM Cc1nc(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)[nH]c1C ZINC001581451270 1020835728 /nfs/dbraw/zinc/83/57/28/1020835728.db2.gz AMTVJWDCPHDHAV-MRVPVSSYSA-N -1 0 316.329 -0.324 20 0 DBADRM Cc1nc(NC2CCN(CC(N)=O)CC2)cc(-c2nn[nH]n2)n1 ZINC001581504777 1020836517 /nfs/dbraw/zinc/83/65/17/1020836517.db2.gz RGVIEGWOSIWHBC-UHFFFAOYSA-N -1 0 317.357 -0.673 20 0 DBADRM Cc1nccn1CCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001581567615 1020838845 /nfs/dbraw/zinc/83/88/45/1020838845.db2.gz UDAVICRJVWEGBB-UHFFFAOYSA-N -1 0 317.313 -0.717 20 0 DBADRM Cc1nn(CC(=O)Nc2ccccc2-c2nn[nH]n2)c(=O)n1C ZINC001581603990 1020839358 /nfs/dbraw/zinc/83/93/58/1020839358.db2.gz QXAFFZMKIIWRMT-UHFFFAOYSA-N -1 0 314.309 -0.291 20 0 DBADRM Cc1nnc([C@H](C)Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[nH]1 ZINC001581606864 1020840958 /nfs/dbraw/zinc/84/09/58/1020840958.db2.gz VVWAFHOSTPXBEH-BYPYZUCNSA-N -1 0 318.301 -0.734 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@H](CO)CC2CC2)c(-c2nnn[n-]2)c1=O ZINC001581747523 1020842668 /nfs/dbraw/zinc/84/26/68/1020842668.db2.gz CSLVPDBJEOSHKW-MRVPVSSYSA-N -1 0 321.341 -0.514 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(-c2nnn[n-]2)c1=O ZINC001581747758 1020844116 /nfs/dbraw/zinc/84/41/16/1020844116.db2.gz UCOOFOFXPGIORR-ALXXOCQFSA-N -1 0 317.309 -0.746 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2CCO[C@H]2C2CC2)c(-c2nnn[n-]2)c1=O ZINC001581747628 1020844153 /nfs/dbraw/zinc/84/41/53/1020844153.db2.gz RYNDSAYUHYNFJL-APPZFPTMSA-N -1 0 319.325 -0.355 20 0 DBADRM Cn1c(=O)[nH]c(NC2CCC(C)(O)CC2)c(-c2nnn[n-]2)c1=O ZINC001581748252 1020844686 /nfs/dbraw/zinc/84/46/86/1020844686.db2.gz UZEVLMYZYOEXHL-UHFFFAOYSA-N -1 0 321.341 -0.229 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(Oc2cncc(F)c2)n(C)c1=O ZINC001581753276 1020845698 /nfs/dbraw/zinc/84/56/98/1020845698.db2.gz WJVJEOWWBFJNQC-UHFFFAOYSA-N -1 0 319.256 -0.410 20 0 DBADRM O=C(C1CCC1)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001581931379 1020860351 /nfs/dbraw/zinc/86/03/51/1020860351.db2.gz JGUYERKRFVUHLW-JTQLQIEISA-N -1 0 314.353 -0.109 20 0 DBADRM O=C(C[C@@H]1C=CS(=O)(=O)C1)Nc1ccncc1-c1nn[nH]n1 ZINC001581965165 1020863834 /nfs/dbraw/zinc/86/38/34/1020863834.db2.gz LOJJSIBVBCXETA-QMMMGPOBSA-N -1 0 320.334 -0.430 20 0 DBADRM O=C(CCc1ccc(-c2nn[nH]n2)cc1)N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001582057472 1020872201 /nfs/dbraw/zinc/87/22/01/1020872201.db2.gz HOQSUIWBYLCTLX-XYYAHUGASA-N -1 0 317.349 -0.200 20 0 DBADRM O=C(CN1C[C@H](CO)[C@H](O)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001582098793 1020876943 /nfs/dbraw/zinc/87/69/43/1020876943.db2.gz YVQFEQYFWLIMHA-ZYHUDNBSSA-N -1 0 318.337 -0.910 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001582129881 1020878611 /nfs/dbraw/zinc/87/86/11/1020878611.db2.gz BDMXJHLRYOYMCB-UIKWRGBMSA-N -1 0 319.321 -0.754 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)NC[C@H]1CNC(=O)C1 ZINC001582129954 1020878882 /nfs/dbraw/zinc/87/88/82/1020878882.db2.gz FIDDASGUJMDMDH-SECBINFHSA-N -1 0 316.321 -0.502 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)NCCn1cnnc1 ZINC001582129209 1020879287 /nfs/dbraw/zinc/87/92/87/1020879287.db2.gz XWZAXFZJWCKUPH-UHFFFAOYSA-N -1 0 314.309 -0.347 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)cc1=O)NCc1cccs1 ZINC001582198348 1020884836 /nfs/dbraw/zinc/88/48/36/1020884836.db2.gz WLXHEBIMQKXYCB-UHFFFAOYSA-N -1 0 317.334 -0.199 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC=Cc1cccnc1 ZINC001582199674 1020885173 /nfs/dbraw/zinc/88/51/73/1020885173.db2.gz VCERTCDJIXXDGP-RQOWECAXSA-N -1 0 311.309 -0.317 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@]12CCC[C@H]1OCC2 ZINC001582199484 1020885340 /nfs/dbraw/zinc/88/53/40/1020885340.db2.gz LNJASKAEVIBNFS-PELKAZGASA-N -1 0 304.314 -0.714 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1CC12CC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001510806131 1020887337 /nfs/dbraw/zinc/88/73/37/1020887337.db2.gz YAWVGEWLVGUVKV-IUCAKERBSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(NCCCNc1ccnc(-c2nnn[n-]2)n1)C1CCC1 ZINC001582506806 1020901896 /nfs/dbraw/zinc/90/18/96/1020901896.db2.gz BTRFBJPJGCZDSK-UHFFFAOYSA-N -1 0 302.342 -0.203 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)C1=C[S@](=O)CCC1 ZINC001582527991 1020902399 /nfs/dbraw/zinc/90/23/99/1020902399.db2.gz BPDPTSSPPONSMH-JOCHJYFZSA-N -1 0 322.354 -0.999 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cc(C(F)F)n[nH]1 ZINC001582528931 1020905975 /nfs/dbraw/zinc/90/59/75/1020905975.db2.gz UATDGBAIHBZWMH-UHFFFAOYSA-N -1 0 324.255 -0.451 20 0 DBADRM O=C(Nc1c[nH]nc1-c1nnn[n-]1)c1ccc(-n2cnnn2)cn1 ZINC001582650265 1020916075 /nfs/dbraw/zinc/91/60/75/1020916075.db2.gz SFQZROGYQWMYBI-UHFFFAOYSA-N -1 0 324.268 -0.787 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC001582654424 1020916676 /nfs/dbraw/zinc/91/66/76/1020916676.db2.gz FGKDDMPYOMXKJN-UHFFFAOYSA-N -1 0 322.672 -0.093 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CC[C@@H](O)[C@H](CO)C1 ZINC001582699852 1020917661 /nfs/dbraw/zinc/91/76/61/1020917661.db2.gz FIKLRJAUYLSBHY-GXSJLCMTSA-N -1 0 319.321 -0.612 20 0 DBADRM O=C(c1cccc(F)c1-c1nn[nH]n1)N1CC[C@@H](O)[C@@H](O)C1 ZINC001582709352 1020919926 /nfs/dbraw/zinc/91/99/26/1020919926.db2.gz UBMWZDWSMZKHDF-ZJUUUORDSA-N -1 0 307.285 -0.427 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1Cc1cc(CO)ccc1F ZINC001582806015 1020924593 /nfs/dbraw/zinc/92/45/93/1020924593.db2.gz CKKSRWWBDLCNGX-UHFFFAOYSA-N -1 0 318.268 -0.191 20 0 DBADRM O=S(=O)(NCCc1cn[nH]c1)c1ccc(-c2nnn[n-]2)o1 ZINC001582795169 1020924951 /nfs/dbraw/zinc/92/49/51/1020924951.db2.gz TXTCHNZTOTUTLS-UHFFFAOYSA-N -1 0 309.311 -0.296 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)CC2CCC2)c1[O-] ZINC001510885285 1020928096 /nfs/dbraw/zinc/92/80/96/1020928096.db2.gz BHPNDKZJNNLPHX-JTQLQIEISA-N -1 0 310.354 -0.179 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)C(C)(F)F)c1[O-] ZINC001510904005 1020937907 /nfs/dbraw/zinc/93/79/07/1020937907.db2.gz IDTYBNSUUWGFNW-ZCFIWIBFSA-N -1 0 306.269 -0.714 20 0 DBADRM Cc1cn2nc(C(=O)N=c3ccn(C)c([O-])n3)cc2c(=O)[nH]1 ZINC001583258901 1020983294 /nfs/dbraw/zinc/98/32/94/1020983294.db2.gz MIUUHFXXVFBGGO-UHFFFAOYSA-N -1 0 300.278 -0.489 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C[C@@H]1C=CCC1 ZINC001584019433 1021010647 /nfs/dbraw/zinc/01/06/47/1021010647.db2.gz CAHWTFHRPYPBNP-DTWKUNHWSA-N -1 0 321.337 -0.126 20 0 DBADRM CC(C)=CC(=O)NC[C@@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001584572987 1021021823 /nfs/dbraw/zinc/02/18/23/1021021823.db2.gz XMCRCBMRHYJXOD-JTQLQIEISA-N -1 0 320.349 -0.217 20 0 DBADRM CC/C=C(/C)C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001584600296 1021022684 /nfs/dbraw/zinc/02/26/84/1021022684.db2.gz VXFSYYUNCIUWEM-ZUYFITGHSA-N -1 0 323.353 -0.237 20 0 DBADRM O=C(C=C1CCC1)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001584629245 1021025999 /nfs/dbraw/zinc/02/59/99/1021025999.db2.gz NTOVXLMWJKMOCH-JTQLQIEISA-N -1 0 321.337 -0.483 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC001584968026 1021041506 /nfs/dbraw/zinc/04/15/06/1021041506.db2.gz NSCWLEYCXOPPLM-ZCFIWIBFSA-N -1 0 306.248 -0.383 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2cncc(-n3ccnn3)c2)C(=O)N1C ZINC001585137686 1021046567 /nfs/dbraw/zinc/04/65/67/1021046567.db2.gz KRRZOOPTCHSEBD-MRVPVSSYSA-N -1 0 315.293 -0.410 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2cncc(-n3ccnn3)c2)C(=O)N1C ZINC001585137687 1021047096 /nfs/dbraw/zinc/04/70/96/1021047096.db2.gz KRRZOOPTCHSEBD-QMMMGPOBSA-N -1 0 315.293 -0.410 20 0 DBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)CCc1nnn[n-]1 ZINC001585870483 1021066272 /nfs/dbraw/zinc/06/62/72/1021066272.db2.gz SKZVZNLJECDKAM-UHFFFAOYSA-N -1 0 316.325 -0.186 20 0 DBADRM Cc1cccc(CO[N-]C(=O)[C@@H](C)NC(=O)Cn2cnnn2)n1 ZINC001586074291 1021072042 /nfs/dbraw/zinc/07/20/42/1021072042.db2.gz NZULCAHLCJJBHV-SNVBAGLBSA-N -1 0 319.325 -0.871 20 0 DBADRM Cc1cc(C)n2ncc(C(=O)[N-]n3ccc(=O)[nH]c3=O)c2n1 ZINC001586186055 1021073281 /nfs/dbraw/zinc/07/32/81/1021073281.db2.gz HIZIAFFFYVNUHK-UHFFFAOYSA-N -1 0 300.278 -0.008 20 0 DBADRM CN(C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)c1nnn[n-]1 ZINC001586262171 1021076811 /nfs/dbraw/zinc/07/68/11/1021076811.db2.gz IABURCMHLNERIE-UHFFFAOYSA-N -1 0 312.293 -0.239 20 0 DBADRM O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)c1c[n-]ncc1=O ZINC001586849902 1021080124 /nfs/dbraw/zinc/08/01/24/1021080124.db2.gz VBAQSOAAAJCKKB-FUXBKTLASA-N -1 0 305.294 -0.710 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c1[O-] ZINC001586843940 1021081028 /nfs/dbraw/zinc/08/10/28/1021081028.db2.gz TZZKVFMNDCIPAO-WPPNPWJKSA-N -1 0 307.310 -0.468 20 0 DBADRM C[NH+]1CCN(CCCNC(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001587369962 1021083847 /nfs/dbraw/zinc/08/38/47/1021083847.db2.gz LHGCWHBAGASLFE-UHFFFAOYSA-N -1 0 318.381 -0.610 20 0 DBADRM C[C@]1(CCCC(=O)N2CC[C@@H](c3nnn[n-]3)C2)NC(=O)NC1=O ZINC001588217317 1021087679 /nfs/dbraw/zinc/08/76/79/1021087679.db2.gz FETIUDKFYKFIMF-AMIZOPFISA-N -1 0 321.341 -0.716 20 0 DBADRM CC(=O)OC[C@@H](CO)NC(=O)C1(C(=O)[O-])CCSCC1 ZINC001588525991 1021110330 /nfs/dbraw/zinc/11/03/30/1021110330.db2.gz HINKMKDNIMRIBQ-SECBINFHSA-N -1 0 305.352 -0.375 20 0 DBADRM CC(=O)N(C)C1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001588489326 1021105821 /nfs/dbraw/zinc/10/58/21/1021105821.db2.gz CBWAWPIRCQDKRT-UHFFFAOYSA-N -1 0 306.384 -0.572 20 0 DBADRM CC(=O)N1CC[C@@H](CN(C)C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001588494352 1021106995 /nfs/dbraw/zinc/10/69/95/1021106995.db2.gz JOGLHAQRYLKWJF-JTQLQIEISA-N -1 0 309.326 -0.697 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001588498354 1021107083 /nfs/dbraw/zinc/10/70/83/1021107083.db2.gz UFVOLUGEDOUKST-RKDXNWHRSA-N -1 0 316.335 -0.864 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H](C)[C@H]1CCC(=O)N1)[C@@H](C)C(=O)[O-] ZINC001588501371 1021107123 /nfs/dbraw/zinc/10/71/23/1021107123.db2.gz DOOCKMGLNAKZLS-WCABBAIRSA-N -1 0 313.354 -0.661 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccnc2ccnn21)[C@H](C)C(=O)[O-] ZINC001588508177 1021108354 /nfs/dbraw/zinc/10/83/54/1021108354.db2.gz CUMUGYLFMHJHAS-SECBINFHSA-N -1 0 319.321 -0.219 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccnc(CO)c1)[C@@H](C)C(=O)[O-] ZINC001588508307 1021108942 /nfs/dbraw/zinc/10/89/42/1021108942.db2.gz IBURHWDROXTMIL-VIFPVBQESA-N -1 0 309.322 -0.375 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1nnc(C)o1)[C@H](C)C(=O)[O-] ZINC001588506080 1021109276 /nfs/dbraw/zinc/10/92/76/1021109276.db2.gz BOTDOSUGCSEANU-MRVPVSSYSA-N -1 0 312.326 -0.252 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)n1cccn1 ZINC001588545385 1021112696 /nfs/dbraw/zinc/11/26/96/1021112696.db2.gz RWIQPVIKQSWNMZ-GMTAPVOTSA-N -1 0 308.338 -0.118 20 0 DBADRM CC(=O)c1cn(C2CN(Cc3c(C(=O)[O-])cnn3C)C2)nn1 ZINC001588533793 1021112904 /nfs/dbraw/zinc/11/29/04/1021112904.db2.gz OCYYLQZTQCKENL-UHFFFAOYSA-N -1 0 304.310 -0.031 20 0 DBADRM CC(=O)c1cn(CC(=O)N(CCC(=O)[O-])C2CCOCC2)nn1 ZINC001588533565 1021113537 /nfs/dbraw/zinc/11/35/37/1021113537.db2.gz DQDLBYAMEANPFQ-UHFFFAOYSA-N -1 0 324.337 -0.037 20 0 DBADRM C[C@@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)n1cnc2c1ncnc2N ZINC001588551040 1021115219 /nfs/dbraw/zinc/11/52/19/1021115219.db2.gz OEMHEOGASATUFX-JGVFFNPUSA-N -1 0 320.309 -0.719 20 0 DBADRM C[C@H](C(=O)NCCOCCOCC(=O)[O-])[C@@H]1CCC(=O)N1 ZINC001588557584 1021115315 /nfs/dbraw/zinc/11/53/15/1021115315.db2.gz VYLSYYLAKLLUGG-UWVGGRQHSA-N -1 0 302.327 -0.865 20 0 DBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001588554822 1021115947 /nfs/dbraw/zinc/11/59/47/1021115947.db2.gz WHMGEMNCEKXNEC-CYZMBNFOSA-N -1 0 323.393 -0.092 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])c1ccccn1 ZINC001588550969 1021116068 /nfs/dbraw/zinc/11/60/68/1021116068.db2.gz KBXBHKLHCVSNAT-ONGXEEELSA-N -1 0 312.347 -0.105 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C1CC1 ZINC001588590854 1021117167 /nfs/dbraw/zinc/11/71/67/1021117167.db2.gz ATBLGOPTYSSAEI-VXNVDRBHSA-N -1 0 323.309 -0.536 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N(C)CCCn1cnc2c1ncnc2N ZINC001588563396 1021117205 /nfs/dbraw/zinc/11/72/05/1021117205.db2.gz ROSRFGPYUBBVKI-QMMMGPOBSA-N -1 0 306.326 -0.022 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001588571066 1021117331 /nfs/dbraw/zinc/11/73/31/1021117331.db2.gz VZHPVLTWEXGBSH-IUCAKERBSA-N -1 0 304.310 -0.460 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)c1nc2ncc(CCO)cn2n1)C1CC1 ZINC001588591160 1021118524 /nfs/dbraw/zinc/11/85/24/1021118524.db2.gz HGXKWAIEZJYUDV-MRVPVSSYSA-N -1 0 319.321 -0.263 20 0 DBADRM C[C@@H](C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O)N1CCSCC1 ZINC001588606536 1021119429 /nfs/dbraw/zinc/11/94/29/1021119429.db2.gz IRGJBINIGVBNRN-VHSXEESVSA-N -1 0 316.379 -0.348 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)CN2CCC(=O)NC2=O)cn1 ZINC001588617529 1021119942 /nfs/dbraw/zinc/11/99/42/1021119942.db2.gz XBJFPRKDWRHXFI-UHFFFAOYSA-N -1 0 323.309 -0.417 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC001588619891 1021120054 /nfs/dbraw/zinc/12/00/54/1021120054.db2.gz GACQAOUIUUBJDM-MBTKJCJQSA-N -1 0 322.321 -0.598 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)CC[C@@H]2NC(=O)NC2=O)n1 ZINC001588621262 1021121759 /nfs/dbraw/zinc/12/17/59/1021121759.db2.gz CSGNRPKUAUWFES-ZETCQYMHSA-N -1 0 323.309 -0.371 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001588660731 1021124649 /nfs/dbraw/zinc/12/46/49/1021124649.db2.gz GFWXYSFIJFMTRM-UHFFFAOYSA-N -1 0 323.349 -0.033 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(CNC(=O)COCC(=O)[O-])C1 ZINC001588675766 1021125730 /nfs/dbraw/zinc/12/57/30/1021125730.db2.gz AZWDGIJWGIPDCE-UHFFFAOYSA-N -1 0 318.326 -0.814 20 0 DBADRM CC(C)(C)OC(=O)N1CC(NCCS(=O)(=O)CC(=O)[O-])C1 ZINC001588676466 1021125932 /nfs/dbraw/zinc/12/59/32/1021125932.db2.gz LQLUTUQJFAAGBV-UHFFFAOYSA-N -1 0 322.383 -0.305 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC(C(=O)[O-])C1 ZINC001588709029 1021128790 /nfs/dbraw/zinc/12/87/90/1021128790.db2.gz MNTVAABHRMTPOC-SECBINFHSA-N -1 0 302.327 -0.195 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)COCC(=O)[O-])C1 ZINC001588700952 1021129003 /nfs/dbraw/zinc/12/90/03/1021129003.db2.gz VITXWZIDABSXOG-RKDXNWHRSA-N -1 0 318.326 -0.816 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C1(O)CCOCC1 ZINC001588779614 1021129690 /nfs/dbraw/zinc/12/96/90/1021129690.db2.gz QXCVGABIYRLYAQ-JTQLQIEISA-N -1 0 314.338 -0.100 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(=O)N1CCCC1 ZINC001588779198 1021129997 /nfs/dbraw/zinc/12/99/97/1021129997.db2.gz LHMDYXBFEBIEHB-SNVBAGLBSA-N -1 0 311.338 -0.019 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O)C(=O)[O-] ZINC001588767608 1021130054 /nfs/dbraw/zinc/13/00/54/1021130054.db2.gz LTXAZVAFRAHKOS-SYLNSOGPSA-N -1 0 316.379 -0.665 20 0 DBADRM CC(C)(CNS(N)(=O)=O)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001588783878 1021130891 /nfs/dbraw/zinc/13/08/91/1021130891.db2.gz UESLYWHNOYXBNT-UHFFFAOYSA-N -1 0 315.351 -0.314 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CC(C(=O)[O-])=NO1)C1(O)CCOCC1 ZINC001588779616 1021131546 /nfs/dbraw/zinc/13/15/46/1021131546.db2.gz QXCVGABIYRLYAQ-SNVBAGLBSA-N -1 0 314.338 -0.100 20 0 DBADRM CC(C)C(=O)NC1CCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001588799217 1021132914 /nfs/dbraw/zinc/13/29/14/1021132914.db2.gz NQWWRUIDNUCBQK-LBPRGKRZSA-N -1 0 311.382 -0.092 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001588799531 1021133760 /nfs/dbraw/zinc/13/37/60/1021133760.db2.gz OVUJKVCSOLTBOU-ILDUYXDCSA-N -1 0 300.355 -0.121 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N(C)Cc1cn(C)nn1)C(=O)[O-] ZINC001588815749 1021136224 /nfs/dbraw/zinc/13/62/24/1021136224.db2.gz UYVCLPOLJWXIMG-JTQLQIEISA-N -1 0 311.342 -0.754 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CCS(=O)(=O)CCO1)C(=O)[O-] ZINC001588823127 1021136531 /nfs/dbraw/zinc/13/65/31/1021136531.db2.gz JGMJFIVUYRRMLE-VIFPVBQESA-N -1 0 308.356 -0.285 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N(C)Cc1nnc2n1CCN(C)C2=O ZINC001588816887 1021136719 /nfs/dbraw/zinc/13/67/19/1021136719.db2.gz PYPNCMOKYKXKNN-JTQLQIEISA-N -1 0 323.353 -0.321 20 0 DBADRM CC(=O)N(C)C1CC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001511902946 1021137656 /nfs/dbraw/zinc/13/76/56/1021137656.db2.gz OMWYPXPEXWHTGA-UHFFFAOYSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCCS(=O)(=O)NC1CC1)C(=O)[O-] ZINC001588824715 1021139170 /nfs/dbraw/zinc/13/91/70/1021139170.db2.gz AGTNAFGUSLGTEM-SNVBAGLBSA-N -1 0 321.399 -0.276 20 0 DBADRM CC(C)[C@@H](O)CCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001588836186 1021139343 /nfs/dbraw/zinc/13/93/43/1021139343.db2.gz SFCFTQKIZVQXRU-JTQLQIEISA-N -1 0 321.395 -0.211 20 0 DBADRM CC(C)[C@H](O)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001588835016 1021140027 /nfs/dbraw/zinc/14/00/27/1021140027.db2.gz AMQSNBFHQGOPHV-SECBINFHSA-N -1 0 307.368 -0.601 20 0 DBADRM CC(C)C[C@@H](CNC(=O)N1CC2(C1)NC(=O)NC2=O)C(=O)[O-] ZINC001588846797 1021140970 /nfs/dbraw/zinc/14/09/70/1021140970.db2.gz JGPGAURQTDLLFT-QMMMGPOBSA-N -1 0 312.326 -0.663 20 0 DBADRM CN1CC[C@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)CC1=O ZINC001588870883 1021146454 /nfs/dbraw/zinc/14/64/54/1021146454.db2.gz RSKGKTKMECLGNG-VIFPVBQESA-N -1 0 307.306 -0.717 20 0 DBADRM CC(C)CNC(=O)CNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001588875923 1021147589 /nfs/dbraw/zinc/14/75/89/1021147589.db2.gz CBTMLWYEYCODHN-UHFFFAOYSA-N -1 0 309.322 -0.565 20 0 DBADRM CN1CC[C@@H](NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C1=O ZINC001588870359 1021148178 /nfs/dbraw/zinc/14/81/78/1021148178.db2.gz IMFUJEJIWZXENS-UDNWOFFPSA-N -1 0 311.338 -0.907 20 0 DBADRM CC(C)Cn1cc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])cn1 ZINC001588911005 1021149965 /nfs/dbraw/zinc/14/99/65/1021149965.db2.gz OPPQDKOZIJUCJR-ZDUSSCGKSA-N -1 0 312.326 -0.571 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)CCS(=O)(=O)CC(=O)[O-] ZINC001588920142 1021150556 /nfs/dbraw/zinc/15/05/56/1021150556.db2.gz BKTQTNYYQMAKAN-UHFFFAOYSA-N -1 0 315.413 -0.759 20 0 DBADRM CC(C)OCCN1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001588931743 1021152517 /nfs/dbraw/zinc/15/25/17/1021152517.db2.gz XZYVZMBGJGNJFM-GFCCVEGCSA-N -1 0 313.354 -0.215 20 0 DBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001588925020 1021153944 /nfs/dbraw/zinc/15/39/44/1021153944.db2.gz COWSMNIFFRCSKH-ZANVPECISA-N -1 0 301.343 -0.479 20 0 DBADRM CC(C)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001588923330 1021154486 /nfs/dbraw/zinc/15/44/86/1021154486.db2.gz SAFQGJSAVVFUEA-VHSXEESVSA-N -1 0 313.354 -0.661 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1=O ZINC001588922558 1021154502 /nfs/dbraw/zinc/15/45/02/1021154502.db2.gz QWNYCRJDAYUXKR-NXEZZACHSA-N -1 0 311.338 -0.955 20 0 DBADRM CC(C)N1CCO[C@@H](COC(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001588923302 1021154687 /nfs/dbraw/zinc/15/46/87/1021154687.db2.gz QSTFUDUZLDLQJJ-SNVBAGLBSA-N -1 0 312.326 -0.371 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)c1cc(C(=O)[O-])nn1C ZINC001588927535 1021155006 /nfs/dbraw/zinc/15/50/06/1021155006.db2.gz QXXXCRPDUIXELG-UHFFFAOYSA-N -1 0 318.355 -0.824 20 0 DBADRM C[C@@H](C(=O)N1CC(OC(F)F)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588944901 1021157806 /nfs/dbraw/zinc/15/78/06/1021157806.db2.gz GDWPPKYYEDFRKY-YFKPBYRVSA-N -1 0 314.256 -0.531 20 0 DBADRM C[C@@H](C(=O)N(C)c1nccn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001588942837 1021157875 /nfs/dbraw/zinc/15/78/75/1021157875.db2.gz HSZXKGWHKUMIJT-ZETCQYMHSA-N -1 0 302.302 -0.584 20 0 DBADRM CC(C)Oc1cc(C(N)=O)ccc1NC(=O)C(=O)NCC(=O)[O-] ZINC001588936741 1021158280 /nfs/dbraw/zinc/15/82/80/1021158280.db2.gz XYNJRRGLAAIRIA-UHFFFAOYSA-N -1 0 323.305 -0.288 20 0 DBADRM C/C(=C/C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-])c1cnccn1 ZINC001588937700 1021159690 /nfs/dbraw/zinc/15/96/90/1021159690.db2.gz PIZKVAWFQPAKIX-GWZUUTHWSA-N -1 0 304.306 -0.366 20 0 DBADRM C[C@H](C(=O)N(C)CC1(CO)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588939946 1021159860 /nfs/dbraw/zinc/15/98/60/1021159860.db2.gz JRWCHJIWFGDPHV-MRVPVSSYSA-N -1 0 306.330 -0.750 20 0 DBADRM CC(C)[C@@H](CO)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588943334 1021160005 /nfs/dbraw/zinc/16/00/05/1021160005.db2.gz XDRLGGDZCWZJCZ-WDEREUQCSA-N -1 0 315.370 -0.232 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@]1(C)CO)n1cnc(-c2nnn[n-]2)n1 ZINC001588953888 1021162631 /nfs/dbraw/zinc/16/26/31/1021162631.db2.gz BOTIVEBVOOUYRL-UFBFGSQYSA-N -1 0 306.330 -0.607 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](CO)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588954857 1021163196 /nfs/dbraw/zinc/16/31/96/1021163196.db2.gz PLGLYSZMOQLARH-NXEZZACHSA-N -1 0 320.357 -0.360 20 0 DBADRM CC(C)[C@@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001588950842 1021163808 /nfs/dbraw/zinc/16/38/08/1021163808.db2.gz DIIHXLRKHMLQBF-IONNQARKSA-N -1 0 311.298 -0.775 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H](CO)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588954858 1021164555 /nfs/dbraw/zinc/16/45/55/1021164555.db2.gz PLGLYSZMOQLARH-UWVGGRQHSA-N -1 0 320.357 -0.360 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21)n1cnc(-c2nnn[n-]2)n1 ZINC001588961901 1021165131 /nfs/dbraw/zinc/16/51/31/1021165131.db2.gz AFZQLUCCWFXCML-UTINFBMNSA-N -1 0 318.341 -0.609 20 0 DBADRM C[C@H](C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(F)F ZINC001512192913 1021165799 /nfs/dbraw/zinc/16/57/99/1021165799.db2.gz HRXHCCUGUFZPFX-CRCLSJGQSA-N -1 0 319.268 -0.439 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588977081 1021166331 /nfs/dbraw/zinc/16/63/31/1021166331.db2.gz COECGICEUXCCCB-IUCAKERBSA-N -1 0 317.357 -0.628 20 0 DBADRM C[C@H](C(=O)N[C@@H]1C[C@H](O)C12CCC2)n1cnc(-c2nnn[n-]2)n1 ZINC001588970347 1021168142 /nfs/dbraw/zinc/16/81/42/1021168142.db2.gz FQDFJNBAHNKLDO-HLTSFMKQSA-N -1 0 318.341 -0.561 20 0 DBADRM C[C@H](C(=O)N[C@@H]1C[C@H](O)C1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588970186 1021168452 /nfs/dbraw/zinc/16/84/52/1021168452.db2.gz BURHXBVGEBUQMR-PRJMDXOYSA-N -1 0 306.330 -0.705 20 0 DBADRM C[C@H](C(=O)N1Cc2c[nH]nc2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588965861 1021168928 /nfs/dbraw/zinc/16/89/28/1021168928.db2.gz NEFUVURKFCAGFI-ZCFIWIBFSA-N -1 0 300.286 -0.715 20 0 DBADRM C[C@@H](C(=O)NC[C@@H](O)CC(C)(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588977554 1021169395 /nfs/dbraw/zinc/16/93/95/1021169395.db2.gz BCNATMSDXJJLGJ-IUCAKERBSA-N -1 0 322.373 -0.068 20 0 DBADRM C[C@H](C(=O)N[C@@H](CO)C(C)(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588970935 1021169655 /nfs/dbraw/zinc/16/96/55/1021169655.db2.gz RBWDKXVNMPZWOZ-SFYZADRCSA-N -1 0 308.346 -0.458 20 0 DBADRM C[C@@H](C(=O)NC[C@H](O)CC(C)(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588977547 1021169772 /nfs/dbraw/zinc/16/97/72/1021169772.db2.gz BCNATMSDXJJLGJ-DTWKUNHWSA-N -1 0 322.373 -0.068 20 0 DBADRM C[C@@H](C(=O)N[C@H]1COC2(CCC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588977928 1021170331 /nfs/dbraw/zinc/17/03/31/1021170331.db2.gz BIQQWDQAFPOISM-DTWKUNHWSA-N -1 0 318.341 -0.153 20 0 DBADRM CC(C)c1nnc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])o1 ZINC001588976661 1021171258 /nfs/dbraw/zinc/17/12/58/1021171258.db2.gz NHVPZVUIJVMSEY-MRVPVSSYSA-N -1 0 303.340 -0.123 20 0 DBADRM C[C@H](C(=O)N[C@@H](CCO)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588970989 1021171737 /nfs/dbraw/zinc/17/17/37/1021171737.db2.gz SIICQUNBSNKYPA-APPZFPTMSA-N -1 0 306.330 -0.704 20 0 DBADRM C/C(=C\COC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC001588986865 1021173438 /nfs/dbraw/zinc/17/34/38/1021173438.db2.gz LIFIYQVCCSMYJK-SGDMMICCSA-N -1 0 306.340 -0.524 20 0 DBADRM CC(C)c1noc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001588981095 1021173767 /nfs/dbraw/zinc/17/37/67/1021173767.db2.gz CNYQOFCNUWIIOC-QMMMGPOBSA-N -1 0 303.340 -0.123 20 0 DBADRM C[C@H](C(=O)NCCOCC(F)F)n1cnc(-c2nnn[n-]2)n1 ZINC001588992098 1021174843 /nfs/dbraw/zinc/17/48/43/1021174843.db2.gz NRKPQXOSWRXWLQ-ZCFIWIBFSA-N -1 0 316.272 -0.583 20 0 DBADRM C[C@H](C(=O)NC[C@]1(O)CCC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001588983733 1021175210 /nfs/dbraw/zinc/17/52/10/1021175210.db2.gz JNWKOLKOEBDJOV-JRKPZEMJSA-N -1 0 320.357 -0.314 20 0 DBADRM C[C@H](C(=O)NC[C@@H](O)C1CCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588978758 1021176261 /nfs/dbraw/zinc/17/62/61/1021176261.db2.gz LHTZPHIAKJBKJI-VXNVDRBHSA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@H](C(=O)NCC(C)(C)CCO)n1cnc(-c2nnn[n-]2)n1 ZINC001588979029 1021176716 /nfs/dbraw/zinc/17/67/16/1021176716.db2.gz JEVYHSWIQLEEMD-MRVPVSSYSA-N -1 0 308.346 -0.456 20 0 DBADRM CC(C)n1cc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])nn1 ZINC001588980964 1021176825 /nfs/dbraw/zinc/17/68/25/1021176825.db2.gz PQSWHCOINPYLFV-JTQLQIEISA-N -1 0 317.371 -0.258 20 0 DBADRM C[C@H](C(=O)NCc1ccn(C)n1)n1cnc(-c2nnn[n-]2)n1 ZINC001588999720 1021177694 /nfs/dbraw/zinc/17/76/94/1021177694.db2.gz MTLTUSOKWQEIMB-SSDOTTSWSA-N -1 0 302.302 -0.931 20 0 DBADRM C[C@@H](C(=O)NCCc1ccon1)n1cnc(-c2nnn[n-]2)n1 ZINC001588996015 1021177934 /nfs/dbraw/zinc/17/79/34/1021177934.db2.gz AKKBXSVAGCXTOP-ZETCQYMHSA-N -1 0 303.286 -0.634 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC001588994489 1021177975 /nfs/dbraw/zinc/17/79/75/1021177975.db2.gz RUQCHHUHNDJACZ-QMMMGPOBSA-N -1 0 323.305 -0.531 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC001588998566 1021178148 /nfs/dbraw/zinc/17/81/48/1021178148.db2.gz KFPFSLONTNKFRA-DTWKUNHWSA-N -1 0 307.372 -0.475 20 0 DBADRM C[C@H](C(=O)NCCc1nccs1)n1cnc(-c2nnn[n-]2)n1 ZINC001588996499 1021178188 /nfs/dbraw/zinc/17/81/88/1021178188.db2.gz VAGQJTHHCBKOCB-SSDOTTSWSA-N -1 0 319.354 -0.165 20 0 DBADRM C[C@H](C(=O)NCCc1ccon1)n1cnc(-c2nnn[n-]2)n1 ZINC001588996008 1021178210 /nfs/dbraw/zinc/17/82/10/1021178210.db2.gz AKKBXSVAGCXTOP-SSDOTTSWSA-N -1 0 303.286 -0.634 20 0 DBADRM C[C@H](C(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001588996091 1021178255 /nfs/dbraw/zinc/17/82/55/1021178255.db2.gz FMAGQDOAKWRSES-IUCAKERBSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@H](C(=O)NCCc1ccccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001588996029 1021178332 /nfs/dbraw/zinc/17/83/32/1021178332.db2.gz ARVVCNOVHKGSFW-SECBINFHSA-N -1 0 313.325 -0.227 20 0 DBADRM C[C@H](C(=O)OC[C@]1(F)CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001589027247 1021182251 /nfs/dbraw/zinc/18/22/51/1021182251.db2.gz MJMZFZYRTLDPLB-HQJQHLMTSA-N -1 0 311.277 -0.309 20 0 DBADRM C[C@@H](CC(=O)[O-])NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001589009239 1021183122 /nfs/dbraw/zinc/18/31/22/1021183122.db2.gz LWXNDKWLRFLKNE-IUCAKERBSA-N -1 0 313.397 -0.406 20 0 DBADRM C[C@@H](C(=O)O[C@@H]1CCC(=O)N(C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001589025654 1021185000 /nfs/dbraw/zinc/18/50/00/1021185000.db2.gz AQSJCFQLYQTTRC-JGVFFNPUSA-N -1 0 320.313 -0.817 20 0 DBADRM CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@](C)(CO)C(=O)[O-] ZINC001589024335 1021185056 /nfs/dbraw/zinc/18/50/56/1021185056.db2.gz KLLPFPLSLAKVHY-CJNGLKHVSA-N -1 0 322.361 -0.272 20 0 DBADRM C[C@@H](C(=O)OCCCC1OCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001589028365 1021185079 /nfs/dbraw/zinc/18/50/79/1021185079.db2.gz VMZZAEKTOYMXSY-QMMMGPOBSA-N -1 0 323.313 -0.285 20 0 DBADRM C[C@H](C(=O)OCc1cnsn1)n1cnc(-c2nnn[n-]2)n1 ZINC001589032817 1021186460 /nfs/dbraw/zinc/18/64/60/1021186460.db2.gz ROBGOTWYTSZLAI-RXMQYKEDSA-N -1 0 307.299 -0.386 20 0 DBADRM CC(=O)CSCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001589041629 1021187729 /nfs/dbraw/zinc/18/77/29/1021187729.db2.gz VNIGFIDQUQIVHS-QMMMGPOBSA-N -1 0 309.365 -0.981 20 0 DBADRM CC(=O)N1CC[C@@H](CN(C)C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001589063873 1021188734 /nfs/dbraw/zinc/18/87/34/1021188734.db2.gz WFJSIYBPXJRRNY-NSHDSACASA-N -1 0 308.338 -0.092 20 0 DBADRM C[C@H](C(=O)OCCN1CCC=N1)n1cnc(-c2nnn[n-]2)n1 ZINC001589031159 1021189369 /nfs/dbraw/zinc/18/93/69/1021189369.db2.gz UALHNFSGFRCPJY-MRVPVSSYSA-N -1 0 305.302 -0.746 20 0 DBADRM CC(=O)N1CCO[C@@H](C(=O)Nc2cccc(CC(=O)[O-])n2)C1 ZINC001589086605 1021190428 /nfs/dbraw/zinc/19/04/28/1021190428.db2.gz BOPRFNIWVDKUTJ-LLVKDONJSA-N -1 0 307.306 -0.106 20 0 DBADRM CC(=O)N1CCO[C@H](C(=O)N[C@@]2(C(=O)[O-])CCSC2)C1 ZINC001589086630 1021190807 /nfs/dbraw/zinc/19/08/07/1021190807.db2.gz CPRJOIWZAQAUKD-CABZTGNLSA-N -1 0 302.352 -0.690 20 0 DBADRM CC(=O)N1CCC(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC001589065593 1021192701 /nfs/dbraw/zinc/19/27/01/1021192701.db2.gz XGDFLPBBJAMLNC-LBPRGKRZSA-N -1 0 313.354 -0.118 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001589093518 1021195636 /nfs/dbraw/zinc/19/56/36/1021195636.db2.gz CGDCNVDKJPTLOX-LPEHRKFASA-N -1 0 302.352 -0.798 20 0 DBADRM CC(=O)N[C@H]1CCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001589121213 1021195981 /nfs/dbraw/zinc/19/59/81/1021195981.db2.gz LUNKPSQKZMFLQS-ZETCQYMHSA-N -1 0 319.364 -0.260 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](CF)C(=O)[O-] ZINC001589103949 1021196121 /nfs/dbraw/zinc/19/61/21/1021196121.db2.gz MOJYRXUIXCURPF-MRVPVSSYSA-N -1 0 319.333 -0.665 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001589105526 1021196928 /nfs/dbraw/zinc/19/69/28/1021196928.db2.gz LVLARTDBVPVNGP-VIFPVBQESA-N -1 0 302.327 -0.376 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)CC(=O)[O-] ZINC001589104818 1021196994 /nfs/dbraw/zinc/19/69/94/1021196994.db2.gz ZTFWEIWYCXBUGO-UHFFFAOYSA-N -1 0 301.343 -0.661 20 0 DBADRM CC(=O)N[C@@H]1CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC001589121505 1021197225 /nfs/dbraw/zinc/19/72/25/1021197225.db2.gz YDYIGDNTNASCEW-SNVBAGLBSA-N -1 0 313.335 -0.321 20 0 DBADRM CC(=O)N[C@@H](C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)C(C)C ZINC001589100584 1021197268 /nfs/dbraw/zinc/19/72/68/1021197268.db2.gz RPROMKYDVCKXSA-ZYHUDNBSSA-N -1 0 323.353 -0.090 20 0 DBADRM CC(=O)NCC1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC001589129727 1021198138 /nfs/dbraw/zinc/19/81/38/1021198138.db2.gz JMAWIGRMSWBBJU-UHFFFAOYSA-N -1 0 308.338 -0.044 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cccs1)C(N)=O ZINC001589152878 1021199240 /nfs/dbraw/zinc/19/92/40/1021199240.db2.gz KNQIJBVFOHDQOH-XVKPBYJWSA-N -1 0 313.335 -0.630 20 0 DBADRM CC(=O)NC[C@H]1CN(S(=O)(=O)CC(C)(C)C(=O)[O-])CCO1 ZINC001589133554 1021200328 /nfs/dbraw/zinc/20/03/28/1021200328.db2.gz WFYYGUGMKPBJOU-JTQLQIEISA-N -1 0 322.383 -0.736 20 0 DBADRM CC(=O)NCCCCCC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001589133063 1021200354 /nfs/dbraw/zinc/20/03/54/1021200354.db2.gz AZDRXHFKZFUHDY-NSHDSACASA-N -1 0 313.354 -0.563 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001589137241 1021200900 /nfs/dbraw/zinc/20/09/00/1021200900.db2.gz ZRUTWSMOPCZDDS-UHFFFAOYSA-N -1 0 321.333 -0.105 20 0 DBADRM CC(=O)OCCCS(=O)(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001589229495 1021204789 /nfs/dbraw/zinc/20/47/89/1021204789.db2.gz USHZTDUQWGVKDN-MNOVXSKESA-N -1 0 323.367 -0.404 20 0 DBADRM CC1(C)COC(=O)[C@H]1OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589232385 1021205701 /nfs/dbraw/zinc/20/57/01/1021205701.db2.gz TYWMHIHRKLJDMV-WCBMZHEXSA-N -1 0 313.306 -0.196 20 0 DBADRM CC(=O)[C@@H]1C[C@H](C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])C1(C)C ZINC001589230777 1021205730 /nfs/dbraw/zinc/20/57/30/1021205730.db2.gz FYDYLJGIZNJMHB-HBNTYKKESA-N -1 0 310.350 -0.009 20 0 DBADRM CC1(C)COC(=O)[C@H]1OC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589232381 1021205896 /nfs/dbraw/zinc/20/58/96/1021205896.db2.gz TYWMHIHRKLJDMV-PSASIEDQSA-N -1 0 313.306 -0.196 20 0 DBADRM CC1(C)COC(=O)[C@@H]1OC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589232383 1021205918 /nfs/dbraw/zinc/20/59/18/1021205918.db2.gz TYWMHIHRKLJDMV-SCZZXKLOSA-N -1 0 313.306 -0.196 20 0 DBADRM CC(=O)[C@@H]1C[C@H](C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])C1(C)C ZINC001589230776 1021205986 /nfs/dbraw/zinc/20/59/86/1021205986.db2.gz FYDYLJGIZNJMHB-AXFHLTTASA-N -1 0 310.350 -0.009 20 0 DBADRM CC(=O)c1cn(C2CN(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001589316052 1021207151 /nfs/dbraw/zinc/20/71/51/1021207151.db2.gz MMTQZTVQYGCDEQ-PSASIEDQSA-N -1 0 307.310 -0.232 20 0 DBADRM C[C@H](C(=O)N1CC(C)(C(=O)[O-])C1)S(=O)(=O)C1CCOCC1 ZINC001589345553 1021212306 /nfs/dbraw/zinc/21/23/06/1021212306.db2.gz BCOFFQUWJUGKPF-SECBINFHSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)Oc1cccnc1C(=O)[O-] ZINC001589337524 1021213168 /nfs/dbraw/zinc/21/31/68/1021213168.db2.gz UHXKEVBANOXJNL-ZETCQYMHSA-N -1 0 302.308 -0.035 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N[C@H](CCF)C(=O)[O-])n1cccn1 ZINC001589336955 1021213341 /nfs/dbraw/zinc/21/33/41/1021213341.db2.gz MHVWDBMPRICXSL-NXEZZACHSA-N -1 0 314.317 -0.169 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001589339116 1021214518 /nfs/dbraw/zinc/21/45/18/1021214518.db2.gz MYQZFUDBDUHUPA-UHFFFAOYSA-N -1 0 320.353 -0.012 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)Cc1cn(C)nn1 ZINC001589351308 1021215391 /nfs/dbraw/zinc/21/53/91/1021215391.db2.gz XLXCTNOKXAYDLG-JTQLQIEISA-N -1 0 309.370 -0.041 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001589338056 1021215508 /nfs/dbraw/zinc/21/55/08/1021215508.db2.gz YLHLVNZWMFFZRI-OPRDCNLKSA-N -1 0 306.384 -0.022 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001589336732 1021215731 /nfs/dbraw/zinc/21/57/31/1021215731.db2.gz LNBWHMLBKZPEKI-BXKDBHETSA-N -1 0 322.383 -0.594 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NCc1ncc(C(=O)[O-])s1 ZINC001589337693 1021216335 /nfs/dbraw/zinc/21/63/35/1021216335.db2.gz VWVSLQSSFNOQKR-ZCFIWIBFSA-N -1 0 321.380 -0.263 20 0 DBADRM CC(C)=CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001589368065 1021220787 /nfs/dbraw/zinc/22/07/87/1021220787.db2.gz QWRNMMXTOCHYPI-VIFPVBQESA-N -1 0 318.341 -0.488 20 0 DBADRM CC(C)=CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001589368063 1021224633 /nfs/dbraw/zinc/22/46/33/1021224633.db2.gz QWRNMMXTOCHYPI-SECBINFHSA-N -1 0 318.341 -0.488 20 0 DBADRM C[C@H](C(=O)N[C@H](CC1OCCO1)C(=O)[O-])[C@H]1CCC(=O)N1 ZINC001589385984 1021228381 /nfs/dbraw/zinc/22/83/81/1021228381.db2.gz RHOCRQFCKCBQOT-DJLDLDEBSA-N -1 0 300.311 -0.767 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC([C@@H](O)c2ccnn2C)CC1 ZINC001589397952 1021228841 /nfs/dbraw/zinc/22/88/41/1021228841.db2.gz WVBBHORNISGCIX-IINYFYTJSA-N -1 0 324.381 -0.245 20 0 DBADRM C[C@H](C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])N1CCSCC1 ZINC001589386452 1021232069 /nfs/dbraw/zinc/23/20/69/1021232069.db2.gz XVJRVMQUYKDYGP-ZJUUUORDSA-N -1 0 318.395 -0.244 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC001589399636 1021235473 /nfs/dbraw/zinc/23/54/73/1021235473.db2.gz DKQCSKPESHHNNU-VWYCJHECSA-N -1 0 316.354 -0.572 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[C@@H](C)S(C)(=O)=O ZINC001589413950 1021235903 /nfs/dbraw/zinc/23/59/03/1021235903.db2.gz SHCWAGNROFNWFW-SGIHWFKDSA-N -1 0 307.368 -0.339 20 0 DBADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@H](O)[C@@H](O)C1 ZINC001589415102 1021237691 /nfs/dbraw/zinc/23/76/91/1021237691.db2.gz NSRMGVLKIHRUGO-HONMWMINSA-N -1 0 322.361 -0.183 20 0 DBADRM CC(C)C(=O)N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001589401654 1021241160 /nfs/dbraw/zinc/24/11/60/1021241160.db2.gz TWNQUSQPJDAOIR-UHFFFAOYSA-N -1 0 302.342 -0.039 20 0 DBADRM CC(C)[C@](C)(CO)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589428317 1021243183 /nfs/dbraw/zinc/24/31/83/1021243183.db2.gz LMNBQOBFBRLKHB-LBPRGKRZSA-N -1 0 323.361 -0.836 20 0 DBADRM C[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)n1cnc2c1ncnc2N ZINC001589423947 1021245956 /nfs/dbraw/zinc/24/59/56/1021245956.db2.gz XXXBDGGREBVBHT-PRJMDXOYSA-N -1 0 304.310 -0.051 20 0 DBADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O)N1C(=O)CCC1=O ZINC001589428403 1021248115 /nfs/dbraw/zinc/24/81/15/1021248115.db2.gz FKTUKXZQOYVKOR-ZCFIWIBFSA-N -1 0 307.262 -0.039 20 0 DBADRM C[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC001589424184 1021248548 /nfs/dbraw/zinc/24/85/48/1021248548.db2.gz RCKTWIDXHPPSFS-WPRPVWTQSA-N -1 0 305.294 -0.537 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCO[C@H]1C(=O)[O-])n1cnc2c1ncnc2N ZINC001589422928 1021248924 /nfs/dbraw/zinc/24/89/24/1021248924.db2.gz NJHABYWRDHGDHS-BKPPORCPSA-N -1 0 320.309 -0.672 20 0 DBADRM C[C@@H](C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)n1cnc2c1ncnc2N ZINC001589431444 1021249634 /nfs/dbraw/zinc/24/96/34/1021249634.db2.gz XXXBDGGREBVBHT-FXQIFTODSA-N -1 0 304.310 -0.051 20 0 DBADRM CC(C)[C@H](CO)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001589460105 1021249655 /nfs/dbraw/zinc/24/96/55/1021249655.db2.gz MXPTYYYXDZEAFQ-ZETCQYMHSA-N -1 0 309.330 -0.658 20 0 DBADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)cc1 ZINC001589498398 1021252814 /nfs/dbraw/zinc/25/28/14/1021252814.db2.gz TWKDTEHOKHNHCD-ZHAHWJHGSA-N -1 0 322.317 -0.623 20 0 DBADRM CC(C)C[C@@H](CO)N(C)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589563303 1021258560 /nfs/dbraw/zinc/25/85/60/1021258560.db2.gz YIZMVMNFALDYSR-ZJUUUORDSA-N -1 0 322.373 -0.115 20 0 DBADRM CC(C)(C(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1)S(C)(=O)=O ZINC001589567060 1021259048 /nfs/dbraw/zinc/25/90/48/1021259048.db2.gz NHMRFVWJTLLRRL-RKDXNWHRSA-N -1 0 307.368 -0.337 20 0 DBADRM CC(C)CCS(=O)(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589607588 1021260951 /nfs/dbraw/zinc/26/09/51/1021260951.db2.gz OVYGACBCUIXHJE-UHFFFAOYSA-N -1 0 314.375 -0.576 20 0 DBADRM CC(C)(C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1)S(C)(=O)=O ZINC001589567057 1021264324 /nfs/dbraw/zinc/26/43/24/1021264324.db2.gz NHMRFVWJTLLRRL-DTWKUNHWSA-N -1 0 307.368 -0.337 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)CN2CCNC(=O)C2)cn1 ZINC001589663857 1021266726 /nfs/dbraw/zinc/26/67/26/1021266726.db2.gz PJLMAMSHXAVXPA-UHFFFAOYSA-N -1 0 309.326 -0.927 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)NC[C@H](O)C2CC2)cn1 ZINC001589661004 1021272098 /nfs/dbraw/zinc/27/20/98/1021272098.db2.gz YJMIECOJXIXATI-JTQLQIEISA-N -1 0 324.337 -0.472 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)N[C@H]2C[C@H](O)C2)cn1 ZINC001589660759 1021272577 /nfs/dbraw/zinc/27/25/77/1021272577.db2.gz PBMLSZMEODJSMR-XWEPSHTISA-N -1 0 310.310 -0.719 20 0 DBADRM CC(C)CS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)n1C ZINC001589651161 1021274347 /nfs/dbraw/zinc/27/43/47/1021274347.db2.gz FZDLXKIUFAXYAG-UHFFFAOYSA-N -1 0 312.355 -0.079 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001589678510 1021279038 /nfs/dbraw/zinc/27/90/38/1021279038.db2.gz KETHXFOTYRUCEW-UHFFFAOYSA-N -1 0 314.327 -0.226 20 0 DBADRM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC001589690174 1021279500 /nfs/dbraw/zinc/27/95/00/1021279500.db2.gz FWCIFGZSCMEBCE-SFYZADRCSA-N -1 0 304.368 -0.504 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)CN2CCC(=O)NC2=O)n1 ZINC001589672342 1021279720 /nfs/dbraw/zinc/27/97/20/1021279720.db2.gz HKLFFQMGWCDVAA-UHFFFAOYSA-N -1 0 323.309 -0.417 20 0 DBADRM CC(C)(C)C(=O)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001589684512 1021280129 /nfs/dbraw/zinc/28/01/29/1021280129.db2.gz GZLYTLVTGGADJV-QMMMGPOBSA-N -1 0 305.352 -0.298 20 0 DBADRM CC(C)(C(N)=O)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589682426 1021281651 /nfs/dbraw/zinc/28/16/51/1021281651.db2.gz XRPRDCVXUUQDNA-MRVPVSSYSA-N -1 0 309.326 -0.349 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001589690268 1021282989 /nfs/dbraw/zinc/28/29/89/1021282989.db2.gz KYVJWCYURBINIA-SECBINFHSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)OC(=O)COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589733252 1021293755 /nfs/dbraw/zinc/29/37/55/1021293755.db2.gz JFGZPKNSJHJBRZ-ZETCQYMHSA-N -1 0 309.286 -0.486 20 0 DBADRM CC(C)O[C@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001589740156 1021294120 /nfs/dbraw/zinc/29/41/20/1021294120.db2.gz ZYQVZOOGQIWGCS-JTQLQIEISA-N -1 0 320.357 -0.126 20 0 DBADRM C[C@@H](CCCCO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001589810313 1021308222 /nfs/dbraw/zinc/30/82/22/1021308222.db2.gz LGSBTVRYWFGAAV-QMMMGPOBSA-N -1 0 323.357 -0.773 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001589834388 1021312307 /nfs/dbraw/zinc/31/23/07/1021312307.db2.gz GCOGXJCQRJPRFN-VIFPVBQESA-N -1 0 304.368 -0.006 20 0 DBADRM CC(C)(C)NC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001589823811 1021312819 /nfs/dbraw/zinc/31/28/19/1021312819.db2.gz UPOCZNLIEGOEAW-WDEREUQCSA-N -1 0 311.382 -0.234 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001589834683 1021314195 /nfs/dbraw/zinc/31/41/95/1021314195.db2.gz LRPBHMVBLVMFRW-WPRPVWTQSA-N -1 0 322.383 -0.859 20 0 DBADRM C[C@@H](CN(C)C(=O)C1CC1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001589837207 1021316203 /nfs/dbraw/zinc/31/62/03/1021316203.db2.gz WIAGLLSAEIESQZ-QMMMGPOBSA-N -1 0 302.342 -0.253 20 0 DBADRM C[C@@H](CCO)NS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001589834640 1021316815 /nfs/dbraw/zinc/31/68/15/1021316815.db2.gz PKJSMQZNNZZSBG-LURJTMIESA-N -1 0 303.369 -0.023 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1sccc1-c1nn[nH]n1)C(=O)[O-] ZINC001589850920 1021319683 /nfs/dbraw/zinc/31/96/83/1021319683.db2.gz UXZTWCMYLOXSIC-YFKPBYRVSA-N -1 0 324.322 -0.296 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3(C)CC3)C2)c1[O-] ZINC001513011623 1021319695 /nfs/dbraw/zinc/31/96/95/1021319695.db2.gz VSUBFRGGUAZTTN-NXEZZACHSA-N -1 0 322.365 -0.085 20 0 DBADRM CC(C)(C)OC(=O)[C@@]1(C(=O)NC[C@H](O)C(=O)[O-])CCCO1 ZINC001589848282 1021321846 /nfs/dbraw/zinc/32/18/46/1021321846.db2.gz KDKJBHBYBZNFPL-SDBXPKJASA-N -1 0 303.311 -0.561 20 0 DBADRM CC(C)C(=O)NC[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001589849758 1021323084 /nfs/dbraw/zinc/32/30/84/1021323084.db2.gz LSTAIVOOANOCHV-SECBINFHSA-N -1 0 304.358 -0.101 20 0 DBADRM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1)C(=O)[O-] ZINC001589875244 1021329155 /nfs/dbraw/zinc/32/91/55/1021329155.db2.gz SBEASYOZCFOZMF-ZCFIWIBFSA-N -1 0 312.311 -0.739 20 0 DBADRM CC(C)(C)OC(=O)COCCOCCNC(=O)CC(=O)[O-] ZINC001589898730 1021331772 /nfs/dbraw/zinc/33/17/72/1021331772.db2.gz RFJCBTISWYVOMD-UHFFFAOYSA-N -1 0 305.327 -0.048 20 0 DBADRM CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)C1 ZINC001589910168 1021332705 /nfs/dbraw/zinc/33/27/05/1021332705.db2.gz XHHNZMZVMIICPG-AWEZNQCLSA-N -1 0 314.338 -0.099 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001589890380 1021334004 /nfs/dbraw/zinc/33/40/04/1021334004.db2.gz KHMRSSNGTXJZRH-SECBINFHSA-N -1 0 314.338 -0.233 20 0 DBADRM CC(C)(C)OC(=O)Cn1cc(C(=O)N2CC[C@@H]2C(=O)[O-])nn1 ZINC001589901055 1021334497 /nfs/dbraw/zinc/33/44/97/1021334497.db2.gz DKILAXJXFFVJCJ-SECBINFHSA-N -1 0 310.310 -0.081 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001589898526 1021334984 /nfs/dbraw/zinc/33/49/84/1021334984.db2.gz IWZAOIDHTINNRB-BXKDBHETSA-N -1 0 317.338 -0.049 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)c1cn[nH]c1 ZINC001589918885 1021339366 /nfs/dbraw/zinc/33/93/66/1021339366.db2.gz OFKLGMLCCZYDEG-RNFRBKRXSA-N -1 0 302.302 -0.380 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C1(CO)CC1 ZINC001589976823 1021346357 /nfs/dbraw/zinc/34/63/57/1021346357.db2.gz WDGHIECDKCRXBF-SSDOTTSWSA-N -1 0 313.339 -0.101 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H]1C[C@H](C)O)n1cnc(-c2nnn[n-]2)n1 ZINC001589996777 1021354535 /nfs/dbraw/zinc/35/45/35/1021354535.db2.gz JUYPGTDQMQRSBM-AEJSXWLSSA-N -1 0 320.357 -0.219 20 0 DBADRM C[C@H](C(=O)NCC(C)(C)C[C@H](C)O)n1cnc(-c2nnn[n-]2)n1 ZINC001589994149 1021356230 /nfs/dbraw/zinc/35/62/30/1021356230.db2.gz CUWCGGVKIOWOPH-DTWKUNHWSA-N -1 0 322.373 -0.068 20 0 DBADRM C[C@H](O)c1cn(C2CN(c3ccnc(-c4nnn[n-]4)n3)C2)nn1 ZINC001590004208 1021373298 /nfs/dbraw/zinc/37/32/98/1021373298.db2.gz SERCTLQCZNDFHI-ZETCQYMHSA-N -1 0 314.313 -0.637 20 0 DBADRM C[C@]1(C(=O)NCCNc2ccnc(-c3nnn[n-]3)n2)CCOC1 ZINC001590067586 1021375820 /nfs/dbraw/zinc/37/58/20/1021375820.db2.gz HPIPMPZDDIUVBM-ZDUSSCGKSA-N -1 0 318.341 -0.967 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C(=O)[O-])CC2)C1 ZINC001590091272 1021379510 /nfs/dbraw/zinc/37/95/10/1021379510.db2.gz GNUBDJFKHODCEL-RKDXNWHRSA-N -1 0 314.338 -0.052 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001590098984 1021382334 /nfs/dbraw/zinc/38/23/34/1021382334.db2.gz KZCCFJWRBQJYGB-IMSYWVGJSA-N -1 0 314.338 -0.197 20 0 DBADRM CC1(C)OC[C@@H]2C[C@@]21NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590118512 1021388367 /nfs/dbraw/zinc/38/83/67/1021388367.db2.gz MFVMHOKERHDZPU-JVXZTZIISA-N -1 0 304.314 -0.858 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001590148358 1021395514 /nfs/dbraw/zinc/39/55/14/1021395514.db2.gz YIBSZQNMVMUTCK-IUCAKERBSA-N -1 0 302.327 -0.195 20 0 DBADRM C[C@@]12CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)C[C@@H]1C2(F)F ZINC001590155319 1021397851 /nfs/dbraw/zinc/39/78/51/1021397851.db2.gz HMPVNPUNWVCDKU-WRWORJQWSA-N -1 0 324.295 -0.038 20 0 DBADRM C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590164733 1021400773 /nfs/dbraw/zinc/40/07/73/1021400773.db2.gz USOYNAYRIXAJCT-DTWKUNHWSA-N -1 0 318.341 -0.420 20 0 DBADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001590167809 1021401002 /nfs/dbraw/zinc/40/10/02/1021401002.db2.gz PMTHLYGJXFKQKV-VUHZHCFISA-N -1 0 322.394 -0.173 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](CO)[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590168936 1021406774 /nfs/dbraw/zinc/40/67/74/1021406774.db2.gz VRWNMERYQLGHDI-OPRDCNLKSA-N -1 0 320.357 -0.361 20 0 DBADRM C[C@@H]1C(=O)CC[C@H]1CC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590164735 1021407328 /nfs/dbraw/zinc/40/73/28/1021407328.db2.gz USOYNAYRIXAJCT-IUCAKERBSA-N -1 0 318.341 -0.420 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590165339 1021409275 /nfs/dbraw/zinc/40/92/75/1021409275.db2.gz YOBAQRNRROCZFY-ZETCQYMHSA-N -1 0 302.294 -0.168 20 0 DBADRM C[C@H]1C[C@@H](CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CCO1 ZINC001590193808 1021420780 /nfs/dbraw/zinc/42/07/80/1021420780.db2.gz OALAYOHKPNIESX-YUMQZZPRSA-N -1 0 321.341 -0.107 20 0 DBADRM C[C@H]1C[C@H](NS(=O)(=O)c2cccnc2-c2nnn[n-]2)C(=O)O1 ZINC001590206346 1021428601 /nfs/dbraw/zinc/42/86/01/1021428601.db2.gz INMXOEUPAIAPKB-BQBZGAKWSA-N -1 0 324.322 -0.756 20 0 DBADRM C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001590215954 1021429339 /nfs/dbraw/zinc/42/93/39/1021429339.db2.gz LMKLVKHKNNNTMK-IMTBSYHQSA-N -1 0 308.323 -0.277 20 0 DBADRM C[C@H]1C[C@H](NS(=O)(=O)c2cccnc2-c2nnn[n-]2)CO1 ZINC001590207343 1021430119 /nfs/dbraw/zinc/43/01/19/1021430119.db2.gz RFZJXCYOOMSSPK-YUMQZZPRSA-N -1 0 310.339 -0.283 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001590215953 1021430760 /nfs/dbraw/zinc/43/07/60/1021430760.db2.gz LMKLVKHKNNNTMK-HZGVNTEJSA-N -1 0 308.323 -0.277 20 0 DBADRM C[C@H](C(=O)N1CC(=O)CC[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590218174 1021430830 /nfs/dbraw/zinc/43/08/30/1021430830.db2.gz HJBYYDDHCGVEKC-JGVFFNPUSA-N -1 0 304.314 -0.401 20 0 DBADRM C[C@H]1CCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C[C@H]1F ZINC001590262810 1021435227 /nfs/dbraw/zinc/43/52/27/1021435227.db2.gz BMMHIPXHXUJJQW-DTWKUNHWSA-N -1 0 323.336 -0.152 20 0 DBADRM C[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C[C@H]1F ZINC001590276246 1021441653 /nfs/dbraw/zinc/44/16/53/1021441653.db2.gz LIDXEGVWKPBHAT-NKWVEPMBSA-N -1 0 309.305 -0.562 20 0 DBADRM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001590286315 1021443704 /nfs/dbraw/zinc/44/37/04/1021443704.db2.gz CBWCRHYNPCQEAP-DTORHVGOSA-N -1 0 314.338 -0.052 20 0 DBADRM C[C@@H]1CN(CCNC(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001590305743 1021447057 /nfs/dbraw/zinc/44/70/57/1021447057.db2.gz XGKXKTCFTNDWDK-SECBINFHSA-N -1 0 306.326 -0.090 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)CCN1CCO ZINC001590298817 1021451507 /nfs/dbraw/zinc/45/15/07/1021451507.db2.gz PGQBCSCHXXFKPJ-SECBINFHSA-N -1 0 306.326 -0.402 20 0 DBADRM C[C@H]1CN(c2ccnc(-c3nnn[n-]3)n2)CCS(=O)(=O)C1 ZINC001590315999 1021456973 /nfs/dbraw/zinc/45/69/73/1021456973.db2.gz OSOTZDJEUVGNHT-QMMMGPOBSA-N -1 0 309.355 -0.472 20 0 DBADRM C[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC(C)(C)O1 ZINC001590315364 1021457098 /nfs/dbraw/zinc/45/70/98/1021457098.db2.gz XTQZEWHJFPLZKN-ZETCQYMHSA-N -1 0 321.341 -0.743 20 0 DBADRM C[C@@H]1COCC[C@@H]1CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590321458 1021459167 /nfs/dbraw/zinc/45/91/67/1021459167.db2.gz CARLZDSSMFPXGS-HTQZYQBOSA-N -1 0 321.341 -0.250 20 0 DBADRM C[C@H](C(=O)N[C@H]1CSC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590328253 1021463417 /nfs/dbraw/zinc/46/34/17/1021463417.db2.gz FRVYZNOZFZCREC-PRJMDXOYSA-N -1 0 308.371 -0.113 20 0 DBADRM C[C@@H](C(=O)O[C@@H]1CCOC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590323175 1021466607 /nfs/dbraw/zinc/46/66/07/1021466607.db2.gz IULGJAINQGGZIO-HRDYMLBCSA-N -1 0 307.314 -0.013 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590338054 1021469717 /nfs/dbraw/zinc/46/97/17/1021469717.db2.gz UETQNTTYSIDZFZ-QEYWKRMJSA-N -1 0 320.357 -0.366 20 0 DBADRM C/C=C/C[C@H](CO)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590351595 1021469999 /nfs/dbraw/zinc/46/99/99/1021469999.db2.gz HQAJLJGSTCJQOZ-DXMIZCBPSA-N -1 0 306.330 -0.538 20 0 DBADRM C[C@@H]1SCC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590339916 1021470750 /nfs/dbraw/zinc/47/07/50/1021470750.db2.gz ZOKDNQOQGPMZGD-NTSWFWBYSA-N -1 0 309.355 -0.028 20 0 DBADRM CC=CC[C@H]1NC(=O)N(CCn2cnc(-c3nnn[n-]3)n2)C1=O ZINC001590352936 1021471935 /nfs/dbraw/zinc/47/19/35/1021471935.db2.gz DOHSVNKXJBZKRH-YAJNLLPGSA-N -1 0 317.313 -0.655 20 0 DBADRM C/C=C\C(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001590351884 1021471974 /nfs/dbraw/zinc/47/19/74/1021471974.db2.gz IQEJPOXLMTYOJF-IHWYPQMZSA-N -1 0 303.282 -0.912 20 0 DBADRM C[C@@H]1[C@H](C)SCCN1c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590338706 1021474661 /nfs/dbraw/zinc/47/46/61/1021474661.db2.gz VQROAZKJESCMMK-RQJHMYQMSA-N -1 0 323.382 -0.416 20 0 DBADRM CCC(=O)N1CCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001590362322 1021479819 /nfs/dbraw/zinc/47/98/19/1021479819.db2.gz GMAUPKROVPGTFW-QMMMGPOBSA-N -1 0 319.329 -0.943 20 0 DBADRM CC(C)(C)OC(=O)c1cc(C(=O)N2CC(O)(C(=O)[O-])C2)[nH]n1 ZINC001590360579 1021483358 /nfs/dbraw/zinc/48/33/58/1021483358.db2.gz ZJZXBXJEEYRKSP-UHFFFAOYSA-N -1 0 311.294 -0.364 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001590423004 1021486966 /nfs/dbraw/zinc/48/69/66/1021486966.db2.gz XQUKYUADARWWRD-UHFFFAOYSA-N -1 0 318.355 -0.694 20 0 DBADRM CC(=O)NC[C@H]1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001514755175 1021487585 /nfs/dbraw/zinc/48/75/85/1021487585.db2.gz YDLQPSXYMOFELE-DTORHVGOSA-N -1 0 309.326 -0.754 20 0 DBADRM CC[C@H](CCO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590439235 1021491179 /nfs/dbraw/zinc/49/11/79/1021491179.db2.gz LQWMJYFGPVXTFC-SSDOTTSWSA-N -1 0 301.328 -0.101 20 0 DBADRM CC[C@@H](F)C(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001590456358 1021501273 /nfs/dbraw/zinc/50/12/73/1021501273.db2.gz NQYMSAIITFFEMK-MRVPVSSYSA-N -1 0 308.321 -0.043 20 0 DBADRM CC[C@H]1C(=O)NCCN1Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001590498704 1021505540 /nfs/dbraw/zinc/50/55/40/1021505540.db2.gz CEOBYVOMVMRPHE-JTQLQIEISA-N -1 0 317.353 -0.495 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)[C@@H](C)O ZINC001590470054 1021512455 /nfs/dbraw/zinc/51/24/55/1021512455.db2.gz OTEZTKVWGGERLT-HTQZYQBOSA-N -1 0 312.355 -0.301 20 0 DBADRM CCC[C@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)OC ZINC001590557163 1021515956 /nfs/dbraw/zinc/51/59/56/1021515956.db2.gz JFLNPERDFLFFOG-MRVPVSSYSA-N -1 0 323.357 -0.509 20 0 DBADRM CCC[C@H](CCO)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590556661 1021517118 /nfs/dbraw/zinc/51/71/18/1021517118.db2.gz SUMRLKPSVKXCEZ-NXEZZACHSA-N -1 0 322.373 -0.066 20 0 DBADRM CC(C)=CC(=O)N[C@H]1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001514900287 1021518940 /nfs/dbraw/zinc/51/89/40/1021518940.db2.gz RRPPJTMGXIDKQB-AOOOYVTPSA-N -1 0 323.353 -0.334 20 0 DBADRM CC[C@H]1COCCN1C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590526721 1021519171 /nfs/dbraw/zinc/51/91/71/1021519171.db2.gz RZILSNDEDDKOEN-IUCAKERBSA-N -1 0 306.330 -0.343 20 0 DBADRM CCCCCCNC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590594720 1021519345 /nfs/dbraw/zinc/51/93/45/1021519345.db2.gz OISZFSHDTYXZOV-UHFFFAOYSA-N -1 0 321.341 -0.175 20 0 DBADRM CCC[C@H](O)CCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590560828 1021519435 /nfs/dbraw/zinc/51/94/35/1021519435.db2.gz QXJDOVISQBTYIT-ZETCQYMHSA-N -1 0 309.330 -0.371 20 0 DBADRM CCC[C@@H](O)Cn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O ZINC001590559979 1021519510 /nfs/dbraw/zinc/51/95/10/1021519510.db2.gz WRVZAJDZVGMXSZ-SECBINFHSA-N -1 0 307.310 -0.024 20 0 DBADRM CC[C@@H]1COCCN1C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590526722 1021520979 /nfs/dbraw/zinc/52/09/79/1021520979.db2.gz RZILSNDEDDKOEN-RKDXNWHRSA-N -1 0 306.330 -0.343 20 0 DBADRM CC(C)(C)n1nnc(C(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001590609215 1021526854 /nfs/dbraw/zinc/52/68/54/1021526854.db2.gz CGWWRLCTXFTEQK-UHFFFAOYSA-N -1 0 308.302 -0.852 20 0 DBADRM CC(C)(C)n1ncnc1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001590605358 1021529249 /nfs/dbraw/zinc/52/92/49/1021529249.db2.gz ZICXEQZPUGXAJL-VIFPVBQESA-N -1 0 323.353 -0.418 20 0 DBADRM CCCN1C[C@H](C(=O)Nc2c[nH]nc2-c2nnn[n-]2)CC1=O ZINC001590633098 1021529470 /nfs/dbraw/zinc/52/94/70/1021529470.db2.gz YNDPPNYVEZNZAN-SSDOTTSWSA-N -1 0 304.314 -0.213 20 0 DBADRM CCCNC(=O)[C@@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590635636 1021529669 /nfs/dbraw/zinc/52/96/69/1021529669.db2.gz ZWDUVUSEPWDXAV-SFYZADRCSA-N -1 0 321.345 -0.950 20 0 DBADRM CC(C)(CC(=O)[O-])NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC001590641014 1021534075 /nfs/dbraw/zinc/53/40/75/1021534075.db2.gz AXQYGTWMIJKPJD-MRVPVSSYSA-N -1 0 307.372 -0.729 20 0 DBADRM CCN(C#N)CCn1c(=O)c(-c2nnn[n-]2)cn(CC)c1=O ZINC001590665550 1021536125 /nfs/dbraw/zinc/53/61/25/1021536125.db2.gz AWASFDUGZNVEST-UHFFFAOYSA-N -1 0 304.314 -0.987 20 0 DBADRM CCN(C[C@@H]1CCCO1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590691277 1021542142 /nfs/dbraw/zinc/54/21/42/1021542142.db2.gz LCHACKQPWLLYOW-QMMMGPOBSA-N -1 0 321.341 -0.741 20 0 DBADRM CC(C)(CCO)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001590693457 1021542811 /nfs/dbraw/zinc/54/28/11/1021542811.db2.gz KVEORYWMHVRBSG-JTQLQIEISA-N -1 0 300.355 -0.166 20 0 DBADRM CC(C)(CNC(=O)C(=O)N1CCC[C@@](C)(O)C1)CC(=O)[O-] ZINC001590702653 1021549144 /nfs/dbraw/zinc/54/91/44/1021549144.db2.gz NMDJVWYQDYQDDH-CQSZACIVSA-N -1 0 300.355 -0.023 20 0 DBADRM CC(C)(CNC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)CS(N)(=O)=O ZINC001590724131 1021553685 /nfs/dbraw/zinc/55/36/85/1021553685.db2.gz SPIHHWFVIHGKMK-BRPSZJMVSA-N -1 0 319.383 -0.727 20 0 DBADRM CC(C)(CNC(=O)N1CCS(=O)(=O)CCO1)CC(=O)[O-] ZINC001590718408 1021553902 /nfs/dbraw/zinc/55/39/02/1021553902.db2.gz XBLHOIOYFZOOBY-UHFFFAOYSA-N -1 0 308.356 -0.141 20 0 DBADRM CC(C)(CNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])S(C)(=O)=O ZINC001590726334 1021557636 /nfs/dbraw/zinc/55/76/36/1021557636.db2.gz PAGSPQPAACKHOV-RKDXNWHRSA-N -1 0 322.383 -0.402 20 0 DBADRM CCNC(=O)NC(=O)COc1ccc(F)nc1-c1nnn[n-]1 ZINC001590743931 1021566278 /nfs/dbraw/zinc/56/62/78/1021566278.db2.gz LJMVFJMPRZTDGC-UHFFFAOYSA-N -1 0 309.261 -0.375 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590753749 1021567333 /nfs/dbraw/zinc/56/73/33/1021567333.db2.gz YKFUYDGAYHIVSW-RQJHMYQMSA-N -1 0 308.302 -0.913 20 0 DBADRM CCOC(=O)C(C)(C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590749566 1021571532 /nfs/dbraw/zinc/57/15/32/1021571532.db2.gz GSTKNHIXRQYTGO-ZETCQYMHSA-N -1 0 322.329 -0.523 20 0 DBADRM CC(C)(CNS(=O)(=O)CCCN1CCOCC1)C(=O)[O-] ZINC001590775763 1021574903 /nfs/dbraw/zinc/57/49/03/1021574903.db2.gz FCWNIODKWTXATR-UHFFFAOYSA-N -1 0 308.400 -0.261 20 0 DBADRM CCOC(=O)[C@H]1CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590770589 1021575544 /nfs/dbraw/zinc/57/55/44/1021575544.db2.gz BBYAANOYGCVCCK-MRVPVSSYSA-N -1 0 320.313 -0.988 20 0 DBADRM CCOC(=O)C[C@@H](C)OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590765353 1021576752 /nfs/dbraw/zinc/57/67/52/1021576752.db2.gz JNNKYZSNVJSBDV-SFYZADRCSA-N -1 0 323.313 -0.096 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCC(CO)(CO)CC1)C(=O)[O-] ZINC001590789340 1021583197 /nfs/dbraw/zinc/58/31/97/1021583197.db2.gz SCAPAKFMGCMWQJ-UHFFFAOYSA-N -1 0 309.384 -0.506 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCc2c(=O)[nH]cnc2C1)C(=O)[O-] ZINC001590798024 1021583565 /nfs/dbraw/zinc/58/35/65/1021583565.db2.gz IQEYLGJANSDBFM-UHFFFAOYSA-N -1 0 315.351 -0.019 20 0 DBADRM CCO[C@H](Cn1cnc2ncc(-c3nnn[n-]3)c(=O)n21)C1CC1 ZINC001590785505 1021583601 /nfs/dbraw/zinc/58/36/01/1021583601.db2.gz QAOGBTIDPIFXAG-SNVBAGLBSA-N -1 0 316.325 -0.114 20 0 DBADRM CCO[C@@H](Cn1cnc2ncc(-c3nnn[n-]3)c(=O)n21)C1CC1 ZINC001590785504 1021584937 /nfs/dbraw/zinc/58/49/37/1021584937.db2.gz QAOGBTIDPIFXAG-JTQLQIEISA-N -1 0 316.325 -0.114 20 0 DBADRM CC(C)(CS(=O)(=O)NCC1(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001590802575 1021588762 /nfs/dbraw/zinc/58/87/62/1021588762.db2.gz DHCKNISSOOTOBV-UHFFFAOYSA-N -1 0 313.397 -0.406 20 0 DBADRM CC(C)(F)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001590827439 1021592926 /nfs/dbraw/zinc/59/29/26/1021592926.db2.gz VZAYUBXGOVQEDI-RKDXNWHRSA-N -1 0 304.318 -0.608 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)c(OC)c1 ZINC001590819505 1021593014 /nfs/dbraw/zinc/59/30/14/1021593014.db2.gz UNCKDZXCPITALZ-UHFFFAOYSA-N -1 0 320.309 -0.327 20 0 DBADRM CC(C)(NC(=O)CN1CCCC2(CC2)S1(=O)=O)C(=O)[O-] ZINC001590844363 1021594130 /nfs/dbraw/zinc/59/41/30/1021594130.db2.gz AQMCNHUEONEFAH-UHFFFAOYSA-N -1 0 304.368 -0.076 20 0 DBADRM CC(C)(NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC001590836558 1021595061 /nfs/dbraw/zinc/59/50/61/1021595061.db2.gz SKGPDZDYFGCNMM-UHFFFAOYSA-N -1 0 321.289 -0.065 20 0 DBADRM CCOc1cncc(NCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001590843569 1021595548 /nfs/dbraw/zinc/59/55/48/1021595548.db2.gz APUXZNDJKQNZOI-UHFFFAOYSA-N -1 0 302.302 -0.241 20 0 DBADRM CCO[N-]C(=O)CN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001590818464 1021595829 /nfs/dbraw/zinc/59/58/29/1021595829.db2.gz AMNKSUZJIVFZPY-LLVKDONJSA-N -1 0 319.325 -0.950 20 0 DBADRM CC[C@@H]1C[C@H]1NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590860762 1021602695 /nfs/dbraw/zinc/60/26/95/1021602695.db2.gz ZFIZHYSJZGMSFC-HTRCEHHLSA-N -1 0 305.298 -0.956 20 0 DBADRM CC(C)(O)CCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001590898292 1021603632 /nfs/dbraw/zinc/60/36/32/1021603632.db2.gz PQRQNPZTZHPAID-QPUJVOFHSA-N -1 0 307.368 -0.458 20 0 DBADRM CC(C)=CC(=O)NC1(CCO)CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001590912497 1021609078 /nfs/dbraw/zinc/60/90/78/1021609078.db2.gz LGTQQDDDHHWNEG-WDEREUQCSA-N -1 0 310.350 -0.247 20 0 DBADRM CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCC[C@H](O)C(=O)[O-] ZINC001590933582 1021609230 /nfs/dbraw/zinc/60/92/30/1021609230.db2.gz MSZYFULWOCINNU-MNOVXSKESA-N -1 0 300.355 -0.025 20 0 DBADRM CCc1nocc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590935374 1021611011 /nfs/dbraw/zinc/61/10/11/1021611011.db2.gz BIZGXAUKQBKLOT-UHFFFAOYSA-N -1 0 303.286 -0.561 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2nocc2C)c1=O ZINC001590950050 1021615086 /nfs/dbraw/zinc/61/50/86/1021615086.db2.gz ZHRCTDUMIZQWSQ-UHFFFAOYSA-N -1 0 303.282 -0.445 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001590939460 1021616778 /nfs/dbraw/zinc/61/67/78/1021616778.db2.gz VMFMZMSXEBUJHR-STQMWFEESA-N -1 0 322.361 -0.068 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)C2CCC2)c1=O ZINC001590950148 1021617213 /nfs/dbraw/zinc/61/72/13/1021617213.db2.gz SSQBHEZNMNVICQ-UHFFFAOYSA-N -1 0 304.310 -0.421 20 0 DBADRM CCn1c(=O)c(-c2nnn[n-]2)cn(CC(=O)OC(C)(C)C)c1=O ZINC001590955341 1021618120 /nfs/dbraw/zinc/61/81/20/1021618120.db2.gz RACMPVDLZPRXEX-UHFFFAOYSA-N -1 0 322.325 -0.448 20 0 DBADRM CCn1nccc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1 ZINC001590971133 1021620418 /nfs/dbraw/zinc/62/04/18/1021620418.db2.gz QDLGUYYOUVVQLI-UHFFFAOYSA-N -1 0 323.342 -0.383 20 0 DBADRM CC(C)[C@@H](CCN(C)C(=O)C(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001590981538 1021620816 /nfs/dbraw/zinc/62/08/16/1021620816.db2.gz WHFZOKFYKFDDRU-SECBINFHSA-N -1 0 323.353 -0.633 20 0 DBADRM O=C(/C=C/CN1CCOCC1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001521937703 1021669436 /nfs/dbraw/zinc/66/94/36/1021669436.db2.gz IISHPZNQAUJYNY-OHVSUOQFSA-N -1 0 320.397 -0.131 20 0 DBADRM Cn1cc(CCC(=O)NCCNC(=O)c2ccccc2O)nn1 ZINC001522521581 1021747993 /nfs/dbraw/zinc/74/79/93/1021747993.db2.gz PHLWEXAZJVKSQZ-UHFFFAOYSA-N -1 0 317.349 -0.001 20 0 DBADRM O=C(NCCNC(=O)[C@H]1CCCC(=O)N1)c1ccccc1O ZINC001522522369 1021748263 /nfs/dbraw/zinc/74/82/63/1021748263.db2.gz YILBQBQABXIKKE-LLVKDONJSA-N -1 0 305.334 -0.093 20 0 DBADRM O=C(NCCNC(=O)[C@@H]1COCCO1)c1cccc2n[nH]nc21 ZINC001522523063 1021752988 /nfs/dbraw/zinc/75/29/88/1021752988.db2.gz AINYSCRBQCVPGS-NSHDSACASA-N -1 0 319.321 -0.781 20 0 DBADRM Cc1cc(C(=O)NCCNC(=O)c2cnc([O-])n(C)c2=O)co1 ZINC001522604318 1021810149 /nfs/dbraw/zinc/81/01/49/1021810149.db2.gz XYDNQVZQXARNJX-UHFFFAOYSA-N -1 0 320.305 -0.453 20 0 DBADRM O=C(NCCNC(=O)[C@@H]1CCC1(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001522715931 1021848981 /nfs/dbraw/zinc/84/89/81/1021848981.db2.gz PPNCQLSIZCCODH-YFKPBYRVSA-N -1 0 317.252 -0.826 20 0 DBADRM CC[C@H](F)C(=O)NCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001522788604 1021869329 /nfs/dbraw/zinc/86/93/29/1021869329.db2.gz GMMLWCBQNIKHMY-VIFPVBQESA-N -1 0 324.316 -0.948 20 0 DBADRM CC[C@@H](F)C(=O)NCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001522788602 1021870061 /nfs/dbraw/zinc/87/00/61/1021870061.db2.gz GMMLWCBQNIKHMY-SECBINFHSA-N -1 0 324.316 -0.948 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)[C@@H]2CC(=O)N(C)C2)c1[O-] ZINC001522880890 1021895301 /nfs/dbraw/zinc/89/53/01/1021895301.db2.gz BHJYGEFIQVBGFH-SECBINFHSA-N -1 0 323.353 -0.862 20 0 DBADRM C[C@]1(C(=O)NCCCNC(=O)Cn2c(=O)[n-][nH]c2=O)C=CCC1 ZINC001522972637 1021943332 /nfs/dbraw/zinc/94/33/32/1021943332.db2.gz XFTLPDAHYVCFMJ-AWEZNQCLSA-N -1 0 323.353 -0.332 20 0 DBADRM CC(C)[C@H]1C[C@H]1C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001522973695 1021943630 /nfs/dbraw/zinc/94/36/30/1021943630.db2.gz BTICZRIHLLRRMB-RKDXNWHRSA-N -1 0 323.353 -0.189 20 0 DBADRM CC(C)CC(=O)N(C)CCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001523699561 1022094251 /nfs/dbraw/zinc/09/42/51/1022094251.db2.gz PAKCQNKPTQXHRO-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM CCC(=O)N(C)CCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001523711391 1022099354 /nfs/dbraw/zinc/09/93/54/1022099354.db2.gz IAPGSDGEVWUCNV-UHFFFAOYSA-N -1 0 320.353 -0.554 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)N3CCNNCC3)cc2[n-]c1=S ZINC001524136158 1022195997 /nfs/dbraw/zinc/19/59/97/1022195997.db2.gz VTSRQBBPDSYCNF-UHFFFAOYSA-N -1 0 319.390 -0.228 20 0 DBADRM CNC(=O)CC(=O)N[C@H](CNC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001524381354 1022259397 /nfs/dbraw/zinc/25/93/97/1022259397.db2.gz SSWCLLOPOZOZRY-SECBINFHSA-N -1 0 323.353 -0.816 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001525291423 1022381182 /nfs/dbraw/zinc/38/11/82/1022381182.db2.gz IBJNLGUJGHKULP-AOOOYVTPSA-N -1 0 323.353 -0.721 20 0 DBADRM CC/C=C(/C)C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001525336320 1022386994 /nfs/dbraw/zinc/38/69/94/1022386994.db2.gz SPRGJKSCAVDRMM-NOQGZOHOSA-N -1 0 323.353 -0.191 20 0 DBADRM C[C@@H](CNC(=O)[C@@H](C)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001526478780 1022508395 /nfs/dbraw/zinc/50/83/95/1022508395.db2.gz GVMMMQBKJYROJP-BQBZGAKWSA-N -1 0 309.326 -0.437 20 0 DBADRM CCO[N-]C(=O)C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC001561716354 1024013042 /nfs/dbraw/zinc/01/30/42/1024013042.db2.gz QULCIWYWIXUFNA-SFHVURJKSA-N -1 0 315.417 -0.215 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)c1csnc1OC ZINC001561689654 1024013097 /nfs/dbraw/zinc/01/30/97/1024013097.db2.gz WIUKMRVQMMAVGJ-UHFFFAOYSA-N -1 0 309.369 -0.160 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)NCCCS(N)(=O)=O)ccnc1-2 ZINC001562711439 1024021325 /nfs/dbraw/zinc/02/13/25/1024021325.db2.gz BJCWLWAWJYYHHO-UHFFFAOYSA-N -1 0 312.355 -0.858 20 0 DBADRM CCOCCONC(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC001562548528 1024021914 /nfs/dbraw/zinc/02/19/14/1024021914.db2.gz PXELCOLGYNPMPM-UHFFFAOYSA-N -1 0 308.316 -0.296 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1nnc(-c2ccncc2)[nH]1 ZINC001564943028 1024045307 /nfs/dbraw/zinc/04/53/07/1024045307.db2.gz AUBKBNHMFHJUFD-UHFFFAOYSA-N -1 0 305.298 -0.657 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC(C(=O)N(C)OC)CC1 ZINC001565420609 1024052306 /nfs/dbraw/zinc/05/23/06/1024052306.db2.gz ICSJNOUQDXTFNB-UHFFFAOYSA-N -1 0 302.331 -0.895 20 0 DBADRM CCOC(=O)N[C@@H]1CCCN(C(=O)NCC(=O)[N-]OC)C1 ZINC001565420868 1024052847 /nfs/dbraw/zinc/05/28/47/1024052847.db2.gz NZFZLBCUAAYMLX-SECBINFHSA-N -1 0 302.331 -0.416 20 0 DBADRM CCOC(=O)N[C@H]1CCCN(C(=O)NCC(=O)[N-]OC)C1 ZINC001565420869 1024053908 /nfs/dbraw/zinc/05/39/08/1024053908.db2.gz NZFZLBCUAAYMLX-VIFPVBQESA-N -1 0 302.331 -0.416 20 0 DBADRM COc1ccc(CNC(=O)C=CC(=O)NCc2nnn[n-]2)cc1 ZINC001565584510 1024060848 /nfs/dbraw/zinc/06/08/48/1024060848.db2.gz YHGPLJVSCJOJRR-VOTSOKGWSA-N -1 0 316.321 -0.303 20 0 DBADRM COCCOC1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001566188434 1024144881 /nfs/dbraw/zinc/14/48/81/1024144881.db2.gz WERDLDHHAABUCT-UHFFFAOYSA-N -1 0 300.315 -0.657 20 0 DBADRM O=C(CCc1nnn[n-]1)NCCCNC(=O)c1cccc(O)c1 ZINC001566374134 1024148813 /nfs/dbraw/zinc/14/88/13/1024148813.db2.gz VMAVBXZPNXVBQU-UHFFFAOYSA-N -1 0 318.337 -0.226 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCCO[C@H]1CCOC1 ZINC001566388318 1024151897 /nfs/dbraw/zinc/15/18/97/1024151897.db2.gz IRVPYLOHJVFQPO-JTQLQIEISA-N -1 0 314.342 -0.219 20 0 DBADRM CCn1ncc(C(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001566450623 1024169471 /nfs/dbraw/zinc/16/94/71/1024169471.db2.gz CWYJGLNRVVPOSC-UHFFFAOYSA-N -1 0 308.346 -0.626 20 0 DBADRM O=C(Cn1ccc(=O)c2ccccc21)NCc1nc(=O)o[n-]1 ZINC001566718130 1024351361 /nfs/dbraw/zinc/35/13/61/1024351361.db2.gz FEVUZPKJGYTQSS-UHFFFAOYSA-N -1 0 300.274 -0.006 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001566981007 1024446169 /nfs/dbraw/zinc/44/61/69/1024446169.db2.gz XONBDBIPMZQVFW-GXSJLCMTSA-N -1 0 322.239 -0.670 20 0 DBADRM C[C@H](C(=O)N(C)CCNCc1nc(=O)n(C)[nH]1)c1cnn(C)c1 ZINC001567621406 1024807345 /nfs/dbraw/zinc/80/73/45/1024807345.db2.gz SLKSHKIFTRAMOH-JTQLQIEISA-N -1 0 321.385 -0.806 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)c1cnc2n1CCC2 ZINC001568864394 1025055870 /nfs/dbraw/zinc/05/58/70/1025055870.db2.gz WXRIZTIMZBIGMM-OWOJBTEDSA-N -1 0 317.353 -0.271 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001568922713 1025085317 /nfs/dbraw/zinc/08/53/17/1025085317.db2.gz BPKDODHDSVTJBR-UMCURTJPSA-N -1 0 310.358 -0.813 20 0 DBADRM Cc1cnn(CCC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)c1 ZINC001568970712 1025104337 /nfs/dbraw/zinc/10/43/37/1025104337.db2.gz ZDSUCGRZBUMNQF-IHWYPQMZSA-N -1 0 319.369 -0.132 20 0 DBADRM CC(C)C[C@@H](C(N)=O)C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001569387485 1025231758 /nfs/dbraw/zinc/23/17/58/1025231758.db2.gz NSYOVCSKPHKPBA-ZJUUUORDSA-N -1 0 324.385 -0.652 20 0 DBADRM CCn1ncn([N-]C(=O)c2cc3c(=O)[nH]c(C)cn3n2)c1=O ZINC001569831038 1025373852 /nfs/dbraw/zinc/37/38/52/1025373852.db2.gz RBEAHQXNUFYGLS-UHFFFAOYSA-N -1 0 303.282 -0.907 20 0 DBADRM CC(=O)NC(=Cc1ccccc1)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC001569827506 1025374753 /nfs/dbraw/zinc/37/47/53/1025374753.db2.gz QZZRWMLLWSNVSF-JXMROGBWSA-N -1 0 303.278 -0.063 20 0 DBADRM COC1(OC)CC(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001570467376 1025628366 /nfs/dbraw/zinc/62/83/66/1025628366.db2.gz ZWUWLZXKXSYQQO-UHFFFAOYSA-N -1 0 318.337 -0.044 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CCCCCCS(N)(=O)=O ZINC001570742313 1025727440 /nfs/dbraw/zinc/72/74/40/1025727440.db2.gz WQRDVJVEAUVXHO-UHFFFAOYSA-N -1 0 320.371 -0.440 20 0 DBADRM C[C@@]1(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CCNC(=O)C1 ZINC001571070326 1025808455 /nfs/dbraw/zinc/80/84/55/1025808455.db2.gz YRZCUIJZNASOSM-ISVAXAHUSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])c1cc(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)on1 ZINC001571069451 1025808589 /nfs/dbraw/zinc/80/85/89/1025808589.db2.gz KUSLDIJSTKEYQI-KNVOCYPGSA-N -1 0 300.292 -0.511 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)COCc1ocnc1C(=O)[O-] ZINC001571069208 1025809022 /nfs/dbraw/zinc/80/90/22/1025809022.db2.gz HWSWUCZZOWBETB-HTQZYQBOSA-N -1 0 300.267 -0.581 20 0 DBADRM COC(=O)C1(O)CN(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1 ZINC001571069443 1025809403 /nfs/dbraw/zinc/80/94/03/1025809403.db2.gz KPZMMJYVJGFNDU-SECBINFHSA-N -1 0 300.311 -0.583 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NC1CN(c2ccncn2)C1 ZINC001571072066 1025809466 /nfs/dbraw/zinc/80/94/66/1025809466.db2.gz JVKWRGRESXBAHE-UHFFFAOYSA-N -1 0 300.340 -0.551 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NC[C@H](O)[C@@H]1CCCO1 ZINC001571074352 1025810595 /nfs/dbraw/zinc/81/05/95/1025810595.db2.gz HQKBTSNRHRMDSZ-USZNOCQGSA-N -1 0 301.339 -0.088 20 0 DBADRM C[C@]1(NC(=O)NCCC(=O)NCCC(=O)[O-])CCCOC1 ZINC001571074762 1025810610 /nfs/dbraw/zinc/81/06/10/1025810610.db2.gz RJQSCPIASWBVJZ-ZDUSSCGKSA-N -1 0 301.343 -0.164 20 0 DBADRM Cn1cnnc1S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001571074529 1025810637 /nfs/dbraw/zinc/81/06/37/1025810637.db2.gz MQJWQOCGDOYMOB-BYPYZUCNSA-N -1 0 302.234 -0.501 20 0 DBADRM Cn1cnnc1S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC001571074532 1025811688 /nfs/dbraw/zinc/81/16/88/1025811688.db2.gz MQJWQOCGDOYMOB-SCSAIBSYSA-N -1 0 302.234 -0.501 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N[C@@H]2CCCS(=O)(=O)C2)n1 ZINC001571074631 1025811651 /nfs/dbraw/zinc/81/16/51/1025811651.db2.gz KQSCBYCBSCMFIP-MRVPVSSYSA-N -1 0 301.324 -0.725 20 0 DBADRM CO[C@@H]1CCC[C@H]1NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001571075075 1025812355 /nfs/dbraw/zinc/81/23/55/1025812355.db2.gz WVPHWIXTLUDQQY-NXEZZACHSA-N -1 0 301.343 -0.166 20 0 DBADRM C[C@H](C(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1)S(C)(=O)=O ZINC001571075257 1025812508 /nfs/dbraw/zinc/81/25/08/1025812508.db2.gz TZWKJGLCUFLFJW-ZCFIWIBFSA-N -1 0 301.324 -0.533 20 0 DBADRM C[C@@]1(C(=O)NCc2ocnc2C(=O)[O-])CCCS1(=O)=O ZINC001571076978 1025812668 /nfs/dbraw/zinc/81/26/68/1025812668.db2.gz PTPGOQFELASOGR-NSHDSACASA-N -1 0 302.308 -0.044 20 0 DBADRM NC(=O)c1ncn(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC001571079098 1025813286 /nfs/dbraw/zinc/81/32/86/1025813286.db2.gz BOXYJGLUIRSTMD-SNVBAGLBSA-N -1 0 303.278 -0.681 20 0 DBADRM Cc1ncc(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])o1 ZINC001571077217 1025813381 /nfs/dbraw/zinc/81/33/81/1025813381.db2.gz WWHNEBWYOJVDKB-SECBINFHSA-N -1 0 302.308 -0.764 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC2CC(CC(=O)[O-])C2)o1 ZINC001571076411 1025813507 /nfs/dbraw/zinc/81/35/07/1025813507.db2.gz CLKKTHMDTQYUAJ-UHFFFAOYSA-N -1 0 302.308 -0.090 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CC(S(N)(=O)=O)C1 ZINC001571075440 1025813537 /nfs/dbraw/zinc/81/35/37/1025813537.db2.gz XSRAUFORPIEQNW-UHFFFAOYSA-N -1 0 301.324 -0.823 20 0 DBADRM C[C@]1(CO)CCCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001571080166 1025814397 /nfs/dbraw/zinc/81/43/97/1025814397.db2.gz NOLHBSVRNGKTFX-NSHDSACASA-N -1 0 303.340 -0.109 20 0 DBADRM Cn1cc([C@@H](O)CNS(=O)(=O)C2(C(=O)[O-])CCC2)cn1 ZINC001571080326 1025815251 /nfs/dbraw/zinc/81/52/51/1025815251.db2.gz QCZYESVHASSDCH-VIFPVBQESA-N -1 0 303.340 -0.620 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C[C@H]2C=CS(=O)(=O)C2)C1 ZINC001571080223 1025814915 /nfs/dbraw/zinc/81/49/15/1025814915.db2.gz OMWDXWDADXKEIX-SKDRFNHKSA-N -1 0 303.336 -0.363 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CS(=O)(=O)CCC1 ZINC001571079487 1025815153 /nfs/dbraw/zinc/81/51/53/1025815153.db2.gz GGGTTXUPXNLZMG-PSASIEDQSA-N -1 0 303.336 -0.315 20 0 DBADRM CCOC(=O)C1(CC(=O)NC[C@H](O)C(=O)[O-])CCOCC1 ZINC001571080174 1025815227 /nfs/dbraw/zinc/81/52/27/1025815227.db2.gz NRVJPGHYCSPSLN-VIFPVBQESA-N -1 0 303.311 -0.702 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Nc2cnnn2-c2ccccc2)C1 ZINC001571079892 1025815233 /nfs/dbraw/zinc/81/52/33/1025815233.db2.gz OGAJZAXMEKMYOP-UHFFFAOYSA-N -1 0 303.278 -0.070 20 0 DBADRM CCCc1nc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])no1 ZINC001571079815 1025815363 /nfs/dbraw/zinc/81/53/63/1025815363.db2.gz JESUBFLVMQJNIX-QMMMGPOBSA-N -1 0 303.340 -0.294 20 0 DBADRM COC(=O)CC[C@@H]1CC[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])O1 ZINC001571079843 1025815427 /nfs/dbraw/zinc/81/54/27/1025815427.db2.gz JXJPBZDKQBANQQ-IGJMFERPSA-N -1 0 303.311 -0.561 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)c1cc(C(=O)[O-])nn1C ZINC001571079769 1025815511 /nfs/dbraw/zinc/81/55/11/1025815511.db2.gz IJHWQLXMIOJWMS-SSDOTTSWSA-N -1 0 303.340 -0.377 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CC1 ZINC001571079882 1025815646 /nfs/dbraw/zinc/81/56/46/1025815646.db2.gz LYIIUYJCQUZGEJ-SSDOTTSWSA-N -1 0 303.296 -0.662 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-] ZINC001571080443 1025816164 /nfs/dbraw/zinc/81/61/64/1025816164.db2.gz RFAVLGVJPXPNIX-NSHDSACASA-N -1 0 303.292 -0.471 20 0 DBADRM CN1CC2(CN(S(=O)(=O)[C@H]3C[C@@H](C(=O)[O-])C3)C2)OC1=O ZINC001571084429 1025816351 /nfs/dbraw/zinc/81/63/51/1025816351.db2.gz DLVHSBIJBLMSGO-OCAPTIKFSA-N -1 0 304.324 -0.684 20 0 DBADRM C[C@@](Cn1cccn1)(NCC(=O)Nc1cnccn1)C(=O)[O-] ZINC001571084436 1025817095 /nfs/dbraw/zinc/81/70/95/1025817095.db2.gz DRWLREJLWOCPNW-ZDUSSCGKSA-N -1 0 304.310 -0.255 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1 ZINC001571080622 1025817254 /nfs/dbraw/zinc/81/72/54/1025817254.db2.gz UANRESUCEQRRDQ-AEJSXWLSSA-N -1 0 303.311 -0.751 20 0 DBADRM CC[C@@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(C)(C)O ZINC001571081950 1025817302 /nfs/dbraw/zinc/81/73/02/1025817302.db2.gz YYWFYQYEOAGEFU-XHNCKOQMSA-N -1 0 303.359 -0.187 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)NCc1nc(C(=O)[O-])co1)CC2 ZINC001571084532 1025817524 /nfs/dbraw/zinc/81/75/24/1025817524.db2.gz KSSWMDWLYMCQQK-ZETCQYMHSA-N -1 0 305.294 -0.077 20 0 DBADRM COCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)C(N)=O ZINC001571081528 1025817762 /nfs/dbraw/zinc/81/77/62/1025817762.db2.gz KINXMOBUBJGSKB-ONGXEEELSA-N -1 0 303.359 -0.966 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001571085182 1025818437 /nfs/dbraw/zinc/81/84/37/1025818437.db2.gz VOAJGXJPEIAGCT-UHFFFAOYSA-N -1 0 305.294 -0.116 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1occc1C(=O)[O-] ZINC001571084628 1025818496 /nfs/dbraw/zinc/81/84/96/1025818496.db2.gz NMCYZQBVCWLCCV-JGVFFNPUSA-N -1 0 305.308 -0.252 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)c3cnon3)C2)n1 ZINC001571085339 1025818659 /nfs/dbraw/zinc/81/86/59/1025818659.db2.gz NMIIAORWTJOQKA-ZETCQYMHSA-N -1 0 304.266 -0.434 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@@H]3C[C@H]4CC(=O)[C@@H]3C4)C2)nn1 ZINC001571085589 1025818825 /nfs/dbraw/zinc/81/88/25/1025818825.db2.gz REZOIZZEIWRQEP-FXBDTBDDSA-N -1 0 304.306 -0.025 20 0 DBADRM O=C([O-])c1ccc(F)cc1S(=O)(=O)N[C@@H]1COC[C@@H]1O ZINC001571085223 1025818879 /nfs/dbraw/zinc/81/88/79/1025818879.db2.gz WLNZMRSDROBGEA-BDAKNGLRSA-N -1 0 305.283 -0.438 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)C[C@@H](C(=O)[O-])O1 ZINC001571085278 1025819083 /nfs/dbraw/zinc/81/90/83/1025819083.db2.gz YMSAIHYWNSWSLC-XCBNKYQSSA-N -1 0 305.290 -0.110 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc2[nH]c(CO)nc2c1 ZINC001571085214 1025819277 /nfs/dbraw/zinc/81/92/77/1025819277.db2.gz WGLLTWQUUNVFDV-NSHDSACASA-N -1 0 305.290 -0.019 20 0 DBADRM Cn1cnn(CCC(=O)NCc2ccnc(C(=O)[O-])c2)c1=O ZINC001571084766 1025819327 /nfs/dbraw/zinc/81/93/27/1025819327.db2.gz NZHVVULIEQDJGC-UHFFFAOYSA-N -1 0 305.294 -0.619 20 0 DBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001571084788 1025819335 /nfs/dbraw/zinc/81/93/35/1025819335.db2.gz OGVNHAOWBHZTGX-HTQZYQBOSA-N -1 0 305.308 -0.022 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)NCC[C@H](O)C(=O)[O-] ZINC001571084864 1025819458 /nfs/dbraw/zinc/81/94/58/1025819458.db2.gz PSIBTHYTOWKPHI-JTQLQIEISA-N -1 0 305.294 -0.464 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)COCc1cccnc1 ZINC001571084796 1025819601 /nfs/dbraw/zinc/81/96/01/1025819601.db2.gz OJMSMFHRTVSVIM-NSHDSACASA-N -1 0 305.294 -0.541 20 0 DBADRM CCOC(=O)[C@H](C)CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571085093 1025819724 /nfs/dbraw/zinc/81/97/24/1025819724.db2.gz TYLHJBHGFFTADJ-ZCFIWIBFSA-N -1 0 305.312 -0.415 20 0 DBADRM Cc1nn(C)c(NC(=O)CN(C)S(C)(=O)=O)c1C(=O)[O-] ZINC001571085912 1025820674 /nfs/dbraw/zinc/82/06/74/1025820674.db2.gz DXFHCFSOFAJYNB-UHFFFAOYSA-N -1 0 304.328 -0.743 20 0 DBADRM CCC[C@@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21)S(N)(=O)=O ZINC001571085940 1025820891 /nfs/dbraw/zinc/82/08/91/1025820891.db2.gz FKHSODCPCPIMCG-KGDYZURWSA-N -1 0 304.368 -0.331 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])CCC1 ZINC001571088472 1025822790 /nfs/dbraw/zinc/82/27/90/1025822790.db2.gz ZOFZMUHFHHEJBP-RKDXNWHRSA-N -1 0 305.352 -0.030 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001571086914 1025821254 /nfs/dbraw/zinc/82/12/54/1025821254.db2.gz YSQCXWCWYDOBHB-NHRVJRKFSA-N -1 0 304.368 -0.364 20 0 DBADRM C[C@@H](CNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC001571086530 1025821511 /nfs/dbraw/zinc/82/15/11/1025821511.db2.gz RJEAMZWQMBRNMF-NHRVJRKFSA-N -1 0 304.368 -0.028 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)c2cccnn2)C1 ZINC001571086094 1025821523 /nfs/dbraw/zinc/82/15/23/1025821523.db2.gz WSZVTMLCNZYVFH-ZYUZMQFOSA-N -1 0 304.306 -0.426 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCN1CCOC1=O ZINC001571091249 1025822568 /nfs/dbraw/zinc/82/25/68/1025822568.db2.gz CCPGZJZTGGVQJY-IUCAKERBSA-N -1 0 306.340 -0.437 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](C(=O)NCC2(O)CCS(=O)(=O)CC2)C1 ZINC001571087901 1025822613 /nfs/dbraw/zinc/82/26/13/1025822613.db2.gz OHWGIYDKUZWOTE-DTORHVGOSA-N -1 0 305.352 -0.847 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001571087584 1025823002 /nfs/dbraw/zinc/82/30/02/1025823002.db2.gz GERYLGXLBVOPCM-UWVGGRQHSA-N -1 0 305.352 -0.895 20 0 DBADRM C[C@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001571087913 1025823151 /nfs/dbraw/zinc/82/31/51/1025823151.db2.gz PADBIYQDUGAKSS-AEJSXWLSSA-N -1 0 305.352 -0.488 20 0 DBADRM C[C@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001571087914 1025823210 /nfs/dbraw/zinc/82/32/10/1025823210.db2.gz PADBIYQDUGAKSS-GUBZILKMSA-N -1 0 305.352 -0.488 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)COCC1CC1)C(=O)[O-] ZINC001571087899 1025823288 /nfs/dbraw/zinc/82/32/88/1025823288.db2.gz OEPXMRQWCNAMJY-JOYOIKCWSA-N -1 0 305.352 -0.583 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCn2ccnc2C1 ZINC001571091260 1025823498 /nfs/dbraw/zinc/82/34/98/1025823498.db2.gz CGDHHBIDBCVZJN-ZJUUUORDSA-N -1 0 306.322 -0.753 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccnc3[nH]c(=O)[nH]c32)C[C@@H](C(=O)[O-])O1 ZINC001571092379 1025824243 /nfs/dbraw/zinc/82/42/43/1025824243.db2.gz SQOBRARLFBUBNT-SVRRBLITSA-N -1 0 306.278 -0.022 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001571092109 1025824665 /nfs/dbraw/zinc/82/46/65/1025824665.db2.gz OPDQQHVQDXEPIR-DMLMCSCLSA-N -1 0 306.322 -0.245 20 0 DBADRM O=C([O-])c1cnc(N2CCOC[C@H]2CNC(=O)C2CC2)nc1 ZINC001571092576 1025824756 /nfs/dbraw/zinc/82/47/56/1025824756.db2.gz UBELHSYVGXOEQQ-LLVKDONJSA-N -1 0 306.322 -0.094 20 0 DBADRM CNc1ncccc1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001571092090 1025824857 /nfs/dbraw/zinc/82/48/57/1025824857.db2.gz ODNXOOWVFYILGX-SNVBAGLBSA-N -1 0 306.322 -0.071 20 0 DBADRM Cc1nc(N2CCN(C(=O)c3cc(C(=O)[O-])no3)CC2)n[nH]1 ZINC001571092586 1025824913 /nfs/dbraw/zinc/82/49/13/1025824913.db2.gz UEBAXTZSNLYARV-UHFFFAOYSA-N -1 0 306.282 -0.238 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)c1nccn2ccnc12 ZINC001571091779 1025825498 /nfs/dbraw/zinc/82/54/98/1025825498.db2.gz JJWYKYJELLSZMI-MRVPVSSYSA-N -1 0 306.278 -0.325 20 0 DBADRM C[C@@H](C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[C@H](C)S(C)(=O)=O ZINC001571095960 1025826824 /nfs/dbraw/zinc/82/68/24/1025826824.db2.gz FIBVKUPKDKBTHU-JXUBOQSCSA-N -1 0 307.368 -0.244 20 0 DBADRM CCOC(=O)CCS(=O)(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001571103186 1025834198 /nfs/dbraw/zinc/83/41/98/1025834198.db2.gz YAVXMEUSPCKYOC-LLVKDONJSA-N -1 0 309.340 -0.650 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])cn1 ZINC001571095619 1025827546 /nfs/dbraw/zinc/82/75/46/1025827546.db2.gz APPDEHRPGCLLDA-MWLCHTKSSA-N -1 0 307.306 -0.067 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1csc(S(C)(=O)=O)c1)C(=O)[O-] ZINC001571095937 1025827597 /nfs/dbraw/zinc/82/75/97/1025827597.db2.gz DYFSJUWEAZTXTO-XRGYYRRGSA-N -1 0 307.349 -0.285 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)c1ccc2n[nH]nc2n1 ZINC001571096884 1025828159 /nfs/dbraw/zinc/82/81/59/1025828159.db2.gz UFTURJNDBPRRGG-MRVPVSSYSA-N -1 0 307.266 -0.701 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CNC1(C(=O)[O-])CCOCC1 ZINC001571097013 1025828180 /nfs/dbraw/zinc/82/81/80/1025828180.db2.gz SFFKKWJDPFOYPY-HXUWFJFHSA-N -1 0 307.372 -0.689 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)N1CC[C@@H](C)C1)C(=O)[O-] ZINC001571097087 1025828344 /nfs/dbraw/zinc/82/83/44/1025828344.db2.gz VLOGCLBSVHSHSR-VGMNWLOBSA-N -1 0 307.372 -0.860 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)c[nH]1 ZINC001571097280 1025828781 /nfs/dbraw/zinc/82/87/81/1025828781.db2.gz YKECEQHOOKZSFP-GHMZBOCLSA-N -1 0 307.306 -0.168 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)CNC1(C(=O)[O-])CCOCC1 ZINC001571097012 1025829204 /nfs/dbraw/zinc/82/92/04/1025829204.db2.gz SFFKKWJDPFOYPY-FQEVSTJZSA-N -1 0 307.372 -0.689 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)c1ccc2n[nH]nc2n1 ZINC001571096886 1025829492 /nfs/dbraw/zinc/82/94/92/1025829492.db2.gz UFTURJNDBPRRGG-QMMMGPOBSA-N -1 0 307.266 -0.701 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-])[C@H](C)S(C)(=O)=O ZINC001571096569 1025829578 /nfs/dbraw/zinc/82/95/78/1025829578.db2.gz NULACWSTHVDSFM-XKNYDFJKSA-N -1 0 307.368 -0.508 20 0 DBADRM Cn1cc(CN2CCCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001571097376 1025830178 /nfs/dbraw/zinc/83/01/78/1025830178.db2.gz XOBDREPXYHFQFG-VXGBXAGGSA-N -1 0 307.354 -0.430 20 0 DBADRM Cc1occc(=O)c1OCC(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC001571098373 1025830243 /nfs/dbraw/zinc/83/02/43/1025830243.db2.gz RGWLCTSVXDVQIO-UHFFFAOYSA-N -1 0 308.250 -0.289 20 0 DBADRM C[C@@H](Oc1cccc(CO)c1)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001571100263 1025830948 /nfs/dbraw/zinc/83/09/48/1025830948.db2.gz CFYUAPGPSHKYEW-XWIASGKRSA-N -1 0 309.318 -0.007 20 0 DBADRM Cn1nccc1[C@H](O)CNC(=O)CCc1ocnc1C(=O)[O-] ZINC001571098745 1025831105 /nfs/dbraw/zinc/83/11/05/1025831105.db2.gz XJISWRPZUYRPMX-SECBINFHSA-N -1 0 308.294 -0.111 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001571098670 1025831176 /nfs/dbraw/zinc/83/11/76/1025831176.db2.gz WNEVTVZFPMWKII-SCZZXKLOSA-N -1 0 308.290 -0.386 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C[C@]1(O)CCCOC1 ZINC001571097423 1025831381 /nfs/dbraw/zinc/83/13/81/1025831381.db2.gz ZXGGGBWVZCVMMW-ZYHUDNBSSA-N -1 0 307.368 -0.898 20 0 DBADRM COC(=O)c1ccc(CC(=O)N2CC[C@@](O)(C(=O)[O-])C2)cn1 ZINC001571097554 1025831425 /nfs/dbraw/zinc/83/14/25/1025831425.db2.gz ACMMZGGSHFCCRN-AWEZNQCLSA-N -1 0 308.290 -0.541 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)[C@@]2(F)CCS(=O)(=O)C2)CCOC1 ZINC001571101194 1025831834 /nfs/dbraw/zinc/83/18/34/1025831834.db2.gz WMNATCCLVYAEPB-WDEREUQCSA-N -1 0 309.315 -0.879 20 0 DBADRM Cc1cc(C)n(CC(=O)N[C@]2(CC(=O)[O-])CCOC2)c(=O)n1 ZINC001571101529 1025832083 /nfs/dbraw/zinc/83/20/83/1025832083.db2.gz DBVARBGQWJVWDA-AWEZNQCLSA-N -1 0 309.322 -0.390 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCn1ccc(=O)[nH]c1=O ZINC001571101605 1025832405 /nfs/dbraw/zinc/83/24/05/1025832405.db2.gz FDAJEWJTLXLBAW-VHSXEESVSA-N -1 0 309.322 -0.044 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@@](C)(CO)C(=O)[O-])CCC1 ZINC001571101520 1025832594 /nfs/dbraw/zinc/83/25/94/1025832594.db2.gz CZOIPKJMTQMXQH-JTQLQIEISA-N -1 0 309.340 -0.915 20 0 DBADRM CO[C@H]1CCN(C(=O)C2=C3CCCN=C3NN2)[C@H](C(=O)[O-])C1 ZINC001571101567 1025832637 /nfs/dbraw/zinc/83/26/37/1025832637.db2.gz CMYWVXMGTPJZHU-WPRPVWTQSA-N -1 0 308.338 -0.369 20 0 DBADRM CS(=O)(=O)C1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001571100912 1025833296 /nfs/dbraw/zinc/83/32/96/1025833296.db2.gz QXKGCANKRLFTLZ-UHFFFAOYSA-N -1 0 309.321 -0.605 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001571101912 1025833616 /nfs/dbraw/zinc/83/36/16/1025833616.db2.gz IMWGGHGWDOFKQT-BDAKNGLRSA-N -1 0 309.326 -0.195 20 0 DBADRM Cc1cc(=O)[nH]c(N2CCN(C(=O)CCNC(=O)[O-])CC2)n1 ZINC001571102836 1025834760 /nfs/dbraw/zinc/83/47/60/1025834760.db2.gz RLLSUQDWDVIPES-UHFFFAOYSA-N -1 0 309.326 -0.203 20 0 DBADRM C[C@H](C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-])[C@@H]1CCC(=O)N1 ZINC001571102070 1025835083 /nfs/dbraw/zinc/83/50/83/1025835083.db2.gz IXLQWXCJZFWJBR-BHDSKKPTSA-N -1 0 308.338 -0.243 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)COCc2cc[nH]c(=O)c2)CC1 ZINC001571106245 1025835548 /nfs/dbraw/zinc/83/55/48/1025835548.db2.gz KNGJVSPHFWNZPZ-UHFFFAOYSA-N -1 0 310.306 -0.258 20 0 DBADRM COCC(=O)N1CCO[C@@H](CNc2ncc(C(=O)[O-])cn2)C1 ZINC001571105832 1025835970 /nfs/dbraw/zinc/83/59/70/1025835970.db2.gz ASDVAQLKGVCWTQ-JTQLQIEISA-N -1 0 310.310 -0.540 20 0 DBADRM C[C@@H]1C[C@H](C(=O)Nc2ccc(=O)n(CCO)c2)O[C@H]1C(=O)[O-] ZINC001571106289 1025836144 /nfs/dbraw/zinc/83/61/44/1025836144.db2.gz MDWDTQINEPPEOT-HLUHBDAQSA-N -1 0 310.306 -0.343 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC001571103504 1025836633 /nfs/dbraw/zinc/83/66/33/1025836633.db2.gz YHIPWDPBQDNYKK-BXUZGUMPSA-N -1 0 308.338 -0.220 20 0 DBADRM NC(=O)NCCC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001571105824 1025836967 /nfs/dbraw/zinc/83/69/67/1025836967.db2.gz AHIOBHOSAPFZFN-UHFFFAOYSA-N -1 0 310.314 -0.802 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001571108672 1025837640 /nfs/dbraw/zinc/83/76/40/1025837640.db2.gz ZBGUXFLVLGOPKA-ZETCQYMHSA-N -1 0 311.294 -0.220 20 0 DBADRM O=C([O-])CN(CCC(F)(F)F)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001571107815 1025837648 /nfs/dbraw/zinc/83/76/48/1025837648.db2.gz GRXJFDCUSSCSDT-YFKPBYRVSA-N -1 0 311.216 -0.550 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001571108355 1025838195 /nfs/dbraw/zinc/83/81/95/1025838195.db2.gz PPCOXFBLXXRXCY-WQGWLQIFSA-N -1 0 311.269 -0.504 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2cc(C)n[nH]2)C[C@@H]1C(=O)[O-] ZINC001571107122 1025838594 /nfs/dbraw/zinc/83/85/94/1025838594.db2.gz ZTGYDIJWJCEOJZ-VHSXEESVSA-N -1 0 310.310 -0.267 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CCOc1cccc(C(N)=O)c1)C(=O)[O-] ZINC001571106997 1025838869 /nfs/dbraw/zinc/83/88/69/1025838869.db2.gz XUYZVVJPOIJFRJ-PELKAZGASA-N -1 0 310.306 -0.495 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CC2(C1)CNC(=O)O2 ZINC001571111598 1025839622 /nfs/dbraw/zinc/83/96/22/1025839622.db2.gz BWZMNHWHGVNQOO-UHFFFAOYSA-N -1 0 312.303 -0.132 20 0 DBADRM COc1nn(C)cc1CNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001571111586 1025839342 /nfs/dbraw/zinc/83/93/42/1025839342.db2.gz BMOLOQVPFYOCKQ-SCZZXKLOSA-N -1 0 312.326 -0.188 20 0 DBADRM Cn1cnnc1COCC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001571111942 1025839540 /nfs/dbraw/zinc/83/95/40/1025839540.db2.gz HWJDGQQJLWRDPQ-GFCCVEGCSA-N -1 0 312.326 -0.984 20 0 DBADRM Cc1ccccc1S(=O)(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001571111615 1025839890 /nfs/dbraw/zinc/83/98/90/1025839890.db2.gz CHUXFHJHYGEKRV-SNVBAGLBSA-N -1 0 312.347 -0.089 20 0 DBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1c[nH]c2ncncc12 ZINC001571111873 1025839925 /nfs/dbraw/zinc/83/99/25/1025839925.db2.gz FLGPXGBYVCMPOP-MRVPVSSYSA-N -1 0 312.307 -0.616 20 0 DBADRM COCC(COC)S(=O)(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001571111325 1025840048 /nfs/dbraw/zinc/84/00/48/1025840048.db2.gz JYCHAPSGRRXWFM-LLVKDONJSA-N -1 0 311.356 -0.942 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)CCCn1cncn1 ZINC001571111574 1025840547 /nfs/dbraw/zinc/84/05/47/1025840547.db2.gz AXQBMWWJZFZGFO-SNVBAGLBSA-N -1 0 312.326 -0.219 20 0 DBADRM C[C@H]1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)c2ncnn21 ZINC001571112068 1025840720 /nfs/dbraw/zinc/84/07/20/1025840720.db2.gz IYYFMZQSXPJDHB-NTSWFWBYSA-N -1 0 312.311 -0.316 20 0 DBADRM CC(C)(O)[C@@H](O)C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC001571111302 1025840750 /nfs/dbraw/zinc/84/07/50/1025840750.db2.gz JINDVLUZKUNALP-JQWIXIFHSA-N -1 0 311.334 -0.117 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001571112922 1025841240 /nfs/dbraw/zinc/84/12/40/1025841240.db2.gz OHUAGGGBOPWALV-XVMARJQXSA-N -1 0 312.244 -0.747 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1NC(=O)COCc1ocnc1C(=O)[O-] ZINC001571112668 1025841349 /nfs/dbraw/zinc/84/13/49/1025841349.db2.gz PWKUSUCCUOZZKF-SFYZADRCSA-N -1 0 312.278 -0.043 20 0 DBADRM CCOC(=O)NCCC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001571112708 1025841654 /nfs/dbraw/zinc/84/16/54/1025841654.db2.gz QLKQAQGHQDLKOD-ZDUSSCGKSA-N -1 0 312.326 -0.021 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001571112354 1025842011 /nfs/dbraw/zinc/84/20/11/1025842011.db2.gz LJRYTEBQRDXQTM-HRDYMLBCSA-N -1 0 312.326 -0.441 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)oc1Cl ZINC001571113133 1025842315 /nfs/dbraw/zinc/84/23/15/1025842315.db2.gz UNNZHHOJUYPDHB-OLQVQODUSA-N -1 0 311.699 -0.643 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)C1CS(=O)(=O)C1)c1cccnc1 ZINC001571112680 1025842351 /nfs/dbraw/zinc/84/23/51/1025842351.db2.gz QCLBFRRGIASMAL-ZDUSSCGKSA-N -1 0 312.347 -0.068 20 0 DBADRM CN(C)c1n[nH]c(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC001571112741 1025842498 /nfs/dbraw/zinc/84/24/98/1025842498.db2.gz QXRINQUEWMIFDG-QMMMGPOBSA-N -1 0 312.330 -0.744 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)N3CC[C@@H](O)[C@H](CO)C3)[C@@H]2C1 ZINC001571116110 1025843477 /nfs/dbraw/zinc/84/34/77/1025843477.db2.gz XYHRUYWVENWCRW-HTXLXMOSSA-N -1 0 312.366 -0.130 20 0 DBADRM C[C@@H]1CN(C(=O)NC2CCC(C(N)=O)CC2)C[C@@H](C(=O)[O-])O1 ZINC001571116887 1025843673 /nfs/dbraw/zinc/84/36/73/1025843673.db2.gz OHXWJRRFLBSDKZ-SFXRXQKFSA-N -1 0 313.354 -0.086 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)C2N=NC(=O)N2C)C1 ZINC001571118591 1025844011 /nfs/dbraw/zinc/84/40/11/1025844011.db2.gz HMGTTWYQXNIAOY-JVXZTZIISA-N -1 0 313.314 -0.533 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C1CC1 ZINC001571115736 1025844206 /nfs/dbraw/zinc/84/42/06/1025844206.db2.gz NNAMEKBRYSKWOY-FRRDWIJNSA-N -1 0 312.366 -0.154 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1c[nH]c2ncncc12)C(=O)[O-] ZINC001571120342 1025844829 /nfs/dbraw/zinc/84/48/29/1025844829.db2.gz VHSKHGSCYFYMGW-NSHDSACASA-N -1 0 314.323 -0.323 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)CC1C(=O)N=CNC1=O ZINC001571119060 1025844978 /nfs/dbraw/zinc/84/49/78/1025844978.db2.gz RYJVMNHFUJXOBD-SSDOTTSWSA-N -1 0 313.335 -0.151 20 0 DBADRM COCc1nn(C)cc1C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001571118904 1025845229 /nfs/dbraw/zinc/84/52/29/1025845229.db2.gz LWYIQRJOPRAJDP-SECBINFHSA-N -1 0 313.310 -0.488 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCO1 ZINC001571121991 1025846169 /nfs/dbraw/zinc/84/61/69/1025846169.db2.gz AKHZQOVUKADWEE-HBNTYKKESA-N -1 0 314.338 -0.770 20 0 DBADRM COC(=O)c1ccnc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC001571119972 1025846303 /nfs/dbraw/zinc/84/63/03/1025846303.db2.gz NVDMEPPUAWWVKL-VIFPVBQESA-N -1 0 314.319 -0.037 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3nccnc3C(=O)[O-])C[C@H]21 ZINC001571119181 1025846342 /nfs/dbraw/zinc/84/63/42/1025846342.db2.gz XJWBASIROQKWOR-YIZRAAEISA-N -1 0 313.335 -0.577 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCC2(O)CCC2)C[C@H]1C(=O)[O-] ZINC001571122606 1025846753 /nfs/dbraw/zinc/84/67/53/1025846753.db2.gz HXOZGIIKGPBJES-NXEZZACHSA-N -1 0 314.338 -0.193 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001571123279 1025846982 /nfs/dbraw/zinc/84/69/82/1025846982.db2.gz NHGKGJFPURDTLT-AEJSXWLSSA-N -1 0 314.338 -0.473 20 0 DBADRM O=C([O-])C1CC2(C1)C[C@@H](NC(=O)CCNC(=O)CO)CCO2 ZINC001571123633 1025847019 /nfs/dbraw/zinc/84/70/19/1025847019.db2.gz TYQYIIRDAWATBO-XIRUVYRFSA-N -1 0 314.338 -0.986 20 0 DBADRM NS(=O)(=O)c1cccc(CN2CCC[C@H](O)[C@@H]2C(=O)[O-])c1 ZINC001571123938 1025847183 /nfs/dbraw/zinc/84/71/83/1025847183.db2.gz WPCVCISFFSLKMW-NWDGAFQWSA-N -1 0 314.363 -0.256 20 0 DBADRM O=C([O-])[C@@H](CF)NS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 ZINC001571122353 1025847529 /nfs/dbraw/zinc/84/75/29/1025847529.db2.gz DJJMLMMOERPWDT-SECBINFHSA-N -1 0 315.282 -0.376 20 0 DBADRM C[C@]12CN(Cc3cn(CC(=O)[O-])nn3)C[C@H]1CS(=O)(=O)C2 ZINC001571123929 1025847566 /nfs/dbraw/zinc/84/75/66/1025847566.db2.gz WJLJKNQIWPBTEE-JOYOIKCWSA-N -1 0 314.367 -0.771 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001571123853 1025847577 /nfs/dbraw/zinc/84/75/77/1025847577.db2.gz VCBBSKNLBMIUHZ-ATEUNZGCSA-N -1 0 314.338 -0.052 20 0 DBADRM CN(C)C(=O)CN1CCCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC001571123298 1025848038 /nfs/dbraw/zinc/84/80/38/1025848038.db2.gz POMQUSJFUNCEOF-UHFFFAOYSA-N -1 0 314.386 -0.345 20 0 DBADRM O=C([O-])C1CC2(C1)C[C@H](NC(=O)CCNC(=O)CO)CCO2 ZINC001571123631 1025848049 /nfs/dbraw/zinc/84/80/49/1025848049.db2.gz TYQYIIRDAWATBO-OPASDULOSA-N -1 0 314.338 -0.986 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001571123827 1025848166 /nfs/dbraw/zinc/84/81/66/1025848166.db2.gz UPYQDPPZOJSSKR-LLVKDONJSA-N -1 0 314.363 -0.133 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H](CO)C1CCCC1)C(=O)[O-] ZINC001571126288 1025849503 /nfs/dbraw/zinc/84/95/03/1025849503.db2.gz PNIUFAKEUFXCRF-QXEWZRGKSA-N -1 0 315.370 -0.186 20 0 DBADRM CON1CCC(NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CC1 ZINC001571126793 1025849590 /nfs/dbraw/zinc/84/95/90/1025849590.db2.gz ZPIFRYUUNNXENQ-LBPRGKRZSA-N -1 0 315.370 -0.121 20 0 DBADRM CCC[C@H](NC(=O)CNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC001571126311 1025849778 /nfs/dbraw/zinc/84/97/78/1025849778.db2.gz QJVHLAKHNOVBSC-JTQLQIEISA-N -1 0 315.351 -0.271 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NC[C@@H]2CCCCS2(=O)=O)n1 ZINC001571126599 1025850020 /nfs/dbraw/zinc/85/00/20/1025850020.db2.gz SWCLAUYTLINSDC-VIFPVBQESA-N -1 0 315.351 -0.335 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC001571129076 1025850460 /nfs/dbraw/zinc/85/04/60/1025850460.db2.gz WXXBNDOXEQRFPZ-GFCCVEGCSA-N -1 0 316.335 -0.747 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@H]1CCc2ncncc2C1 ZINC001571128597 1025850593 /nfs/dbraw/zinc/85/05/93/1025850593.db2.gz NSKVTOLDQVCYNR-JOYOIKCWSA-N -1 0 316.321 -0.557 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)nn1 ZINC001571126900 1025850997 /nfs/dbraw/zinc/85/09/97/1025850997.db2.gz YSZUKFXVBVLBBS-NSHDSACASA-N -1 0 315.351 -0.369 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@H]1CCC[C@@H](O)C1)C(=O)[O-] ZINC001571126803 1025850730 /nfs/dbraw/zinc/85/07/30/1025850730.db2.gz ZZCZNSFJSIQAOI-XWLWVQCSSA-N -1 0 315.370 -0.186 20 0 DBADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)N[C@H](C)CC(N)=O)c1 ZINC001571127936 1025850799 /nfs/dbraw/zinc/85/07/99/1025850799.db2.gz FCBGSNREMGRPRY-SSDOTTSWSA-N -1 0 316.335 -0.064 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001571131065 1025851620 /nfs/dbraw/zinc/85/16/20/1025851620.db2.gz QTNMWETVNWNZEI-AWEZNQCLSA-N -1 0 317.305 -0.368 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)Cc3cc[nH]n3)C2)nc1 ZINC001571128294 1025851948 /nfs/dbraw/zinc/85/19/48/1025851948.db2.gz KVBLTVWNGHBEKC-NSHDSACASA-N -1 0 316.321 -0.165 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])[C@H]1OC ZINC001571131490 1025853043 /nfs/dbraw/zinc/85/30/43/1025853043.db2.gz IGHQFXMIQYHSFI-LZQZFOIKSA-N -1 0 316.354 -0.032 20 0 DBADRM CNC(=O)C1(NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CCCC1 ZINC001571131657 1025853731 /nfs/dbraw/zinc/85/37/31/1025853731.db2.gz OKGMEEVKXZCKHZ-UHFFFAOYSA-N -1 0 316.339 -0.555 20 0 DBADRM O=C([O-])c1cnc(N2CCC[C@@H](NC(=O)c3nnc[nH]3)C2)nc1 ZINC001571133503 1025854559 /nfs/dbraw/zinc/85/45/59/1025854559.db2.gz QQEKJHUESLLJTK-SECBINFHSA-N -1 0 317.309 -0.308 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C1CC1 ZINC001571132950 1025854952 /nfs/dbraw/zinc/85/49/52/1025854952.db2.gz IFURRSMIFJUDOM-ZETCQYMHSA-N -1 0 317.323 -0.272 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])o2)CCO1 ZINC001571132971 1025855007 /nfs/dbraw/zinc/85/50/07/1025855007.db2.gz IRIOBQNQALGFMJ-QMMMGPOBSA-N -1 0 317.319 -0.137 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1cnc2n[nH]cc2c1 ZINC001571133373 1025855545 /nfs/dbraw/zinc/85/55/45/1025855545.db2.gz PHWKSMVMZPZWFB-SNVBAGLBSA-N -1 0 317.305 -0.237 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C(N)=O)C(C)(C)C ZINC001571132863 1025855757 /nfs/dbraw/zinc/85/57/57/1025855757.db2.gz BCSJKGNKJNWITO-SECBINFHSA-N -1 0 317.367 -0.098 20 0 DBADRM C[C@H]1COCCN1CCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571137451 1025856702 /nfs/dbraw/zinc/85/67/02/1025856702.db2.gz GWKRYXBDDBZCQX-QMMMGPOBSA-N -1 0 318.355 -0.893 20 0 DBADRM Cc1nonc1C(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001571138238 1025856545 /nfs/dbraw/zinc/85/65/45/1025856545.db2.gz SPLPAYCXNLOFEC-QMMMGPOBSA-N -1 0 318.293 -0.385 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCCC(=O)Nc2ccncc2)n1 ZINC001571133580 1025856902 /nfs/dbraw/zinc/85/69/02/1025856902.db2.gz UFXSTOKLAWVYFL-UHFFFAOYSA-N -1 0 317.305 -0.457 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2cccnn2)C1 ZINC001571140174 1025858592 /nfs/dbraw/zinc/85/85/92/1025858592.db2.gz QIASKBWKEICBRJ-YTWAJWBKSA-N -1 0 318.333 -0.178 20 0 DBADRM C[C@H]1CCn2cc(C(=O)N[C@@H](Cn3cncn3)C(=O)[O-])nc2C1 ZINC001571140069 1025859094 /nfs/dbraw/zinc/85/90/94/1025859094.db2.gz ONUBFTFNPULHJV-ONGXEEELSA-N -1 0 318.337 -0.060 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)[C@]34C[C@H]3COC4)C2)n1 ZINC001571139762 1025859190 /nfs/dbraw/zinc/85/91/90/1025859190.db2.gz MEOKMBSBRRRLPH-WMFXKJRFSA-N -1 0 318.333 -0.094 20 0 DBADRM COCCN1CN(S(=O)(=O)c2occc2C(=O)[O-])CC1=O ZINC001571140078 1025859395 /nfs/dbraw/zinc/85/93/95/1025859395.db2.gz OWDAGBTYJIAWES-UHFFFAOYSA-N -1 0 318.307 -0.585 20 0 DBADRM CCOC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571138955 1025859557 /nfs/dbraw/zinc/85/95/57/1025859557.db2.gz IELVSDVYLWUHCE-DJLDLDEBSA-N -1 0 318.351 -0.124 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)n1 ZINC001571139765 1025859622 /nfs/dbraw/zinc/85/96/22/1025859622.db2.gz MEOKMBSBRRRLPH-YHAQOWFVSA-N -1 0 318.333 -0.094 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2ccncn2)CC1 ZINC001571139821 1025859733 /nfs/dbraw/zinc/85/97/33/1025859733.db2.gz NQUFTBPEPDWFCW-QWRGUYRKSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2ccncn2)CC1 ZINC001571139819 1025859809 /nfs/dbraw/zinc/85/98/09/1025859809.db2.gz NQUFTBPEPDWFCW-GHMZBOCLSA-N -1 0 318.333 -0.082 20 0 DBADRM Cc1nn(-c2ccccn2)c(C)c1CC(=O)N[C@@H](CO)C(=O)[O-] ZINC001571140150 1025859981 /nfs/dbraw/zinc/85/99/81/1025859981.db2.gz QAOGIUKNAKAWJS-LBPRGKRZSA-N -1 0 318.333 -0.012 20 0 DBADRM COc1ccc2nc(CN3CC(=O)N(C)C[C@@H]3C(=O)[O-])[nH]c2n1 ZINC001571142979 1025860189 /nfs/dbraw/zinc/86/01/89/1025860189.db2.gz GJKANHAIGSNLQG-SECBINFHSA-N -1 0 319.321 -0.306 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2cnccn2)CC1 ZINC001571141585 1025860255 /nfs/dbraw/zinc/86/02/55/1025860255.db2.gz YZFXITFMEYGFKU-QWRGUYRKSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])c1ccc(F)cc1S(=O)(=O)N1CC(CO)(CO)C1 ZINC001571141396 1025860949 /nfs/dbraw/zinc/86/09/49/1025860949.db2.gz NYOPDGJOUIJKQQ-UHFFFAOYSA-N -1 0 319.310 -0.501 20 0 DBADRM COc1ccc([C@H](NCc2cn(CC(N)=O)nn2)C(=O)[O-])cc1 ZINC001571143372 1025862178 /nfs/dbraw/zinc/86/21/78/1025862178.db2.gz VKYAPLYKPJSCQX-ZDUSSCGKSA-N -1 0 319.321 -0.313 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571143101 1025862222 /nfs/dbraw/zinc/86/22/22/1025862222.db2.gz LHTVYABDEVKMCR-RKDXNWHRSA-N -1 0 319.339 -0.468 20 0 DBADRM CO[C@@]1(CO)CCCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001571143115 1025862465 /nfs/dbraw/zinc/86/24/65/1025862465.db2.gz LRMPHQYZQUAZRG-NSHDSACASA-N -1 0 319.339 -0.730 20 0 DBADRM Cc1ocnc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C[C@H]21 ZINC001571143074 1025863532 /nfs/dbraw/zinc/86/35/32/1025863532.db2.gz KEVFBOIICGVASB-ULHKAFAUSA-N -1 0 319.317 -0.110 20 0 DBADRM O=C([O-])c1cnc(N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)nc1 ZINC001571143167 1025863622 /nfs/dbraw/zinc/86/36/22/1025863622.db2.gz NJUNCWVYTPTABY-VHSXEESVSA-N -1 0 319.321 -0.534 20 0 DBADRM NC(=O)CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC001571143427 1025863629 /nfs/dbraw/zinc/86/36/29/1025863629.db2.gz WYUHBGZBNXLYIC-WDEREUQCSA-N -1 0 319.317 -0.049 20 0 DBADRM COC(=O)[C@](C)(CO)NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001571157739 1025875662 /nfs/dbraw/zinc/87/56/62/1025875662.db2.gz BLEOIGVKSOKCDH-SBMIAAHKSA-N -1 0 323.367 -0.527 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001571144609 1025864111 /nfs/dbraw/zinc/86/41/11/1025864111.db2.gz QDVQRHJZGMAART-MFKMUULPSA-N -1 0 319.379 -0.097 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001571144622 1025864300 /nfs/dbraw/zinc/86/43/00/1025864300.db2.gz QQWFKKRVTUMIQD-KXUCPTDWSA-N -1 0 319.383 -0.570 20 0 DBADRM Cc1cccc(CNC(=O)CN2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1 ZINC001571144641 1025864457 /nfs/dbraw/zinc/86/44/57/1025864457.db2.gz RLERTBHPXMEUFC-CYBMUJFWSA-N -1 0 319.361 -0.162 20 0 DBADRM C[C@](CO)(NC(=O)[C@]1(c2ccccc2)CCC(=O)NC1)C(=O)[O-] ZINC001571145687 1025864857 /nfs/dbraw/zinc/86/48/57/1025864857.db2.gz GPLBQCIKYXDPMH-HZPDHXFCSA-N -1 0 320.345 -0.214 20 0 DBADRM Cn1ncnc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001571144595 1025864994 /nfs/dbraw/zinc/86/49/94/1025864994.db2.gz PVQLRFMUGHSHGK-USZNOCQGSA-N -1 0 319.365 -0.289 20 0 DBADRM Cc1nn2cccnc2c1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001571145623 1025865248 /nfs/dbraw/zinc/86/52/48/1025865248.db2.gz DTITUILLGPXGTQ-VIFPVBQESA-N -1 0 320.305 -0.016 20 0 DBADRM Cn1cc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001571145657 1025865618 /nfs/dbraw/zinc/86/56/18/1025865618.db2.gz FTISUMRLEPFRED-FIQHERPVSA-N -1 0 320.349 -0.553 20 0 DBADRM COCC[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001571146439 1025866193 /nfs/dbraw/zinc/86/61/93/1025866193.db2.gz YBOUUHKGTBJNIK-DTWKUNHWSA-N -1 0 320.342 -0.522 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2C[C@@H](NC(=O)c3csnn3)C2)n1 ZINC001571146014 1025866437 /nfs/dbraw/zinc/86/64/37/1025866437.db2.gz QWEDLAYQGZIKGS-LJGSYFOKSA-N -1 0 320.334 -0.179 20 0 DBADRM Cc1cnc2c(C(=O)N[C@@H](CC3OCCO3)C(=O)[O-])cnn2c1 ZINC001571146185 1025866825 /nfs/dbraw/zinc/86/68/25/1025866825.db2.gz SVEIUKHQVZELTP-JTQLQIEISA-N -1 0 320.305 -0.016 20 0 DBADRM C[C@@](CO)(NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccc(O)cc1 ZINC001571146499 1025866954 /nfs/dbraw/zinc/86/69/54/1025866954.db2.gz ZPLCJJDKSOZEFA-AWEZNQCLSA-N -1 0 320.305 -0.294 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cn1C)C(=O)[O-] ZINC001571145896 1025867410 /nfs/dbraw/zinc/86/74/10/1025867410.db2.gz NUNOGSUGCLWHMG-MRVPVSSYSA-N -1 0 320.323 -0.810 20 0 DBADRM COC(=O)[C@@](C)(CO)NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001571149682 1025868251 /nfs/dbraw/zinc/86/82/51/1025868251.db2.gz HCNDWKLIOUJDQO-LLVKDONJSA-N -1 0 321.307 -0.511 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001571148785 1025868385 /nfs/dbraw/zinc/86/83/85/1025868385.db2.gz BFNVYTDUJFGWQR-ZYUZMQFOSA-N -1 0 320.367 -0.840 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001571148925 1025868747 /nfs/dbraw/zinc/86/87/47/1025868747.db2.gz GQFCZSHGPFHHRC-VXGBXAGGSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)CCn2ccnc2)CC1 ZINC001571149078 1025868852 /nfs/dbraw/zinc/86/88/52/1025868852.db2.gz LHKVMHUUBYTMML-NEPJUHHUSA-N -1 0 320.349 -0.335 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 ZINC001571148818 1025869045 /nfs/dbraw/zinc/86/90/45/1025869045.db2.gz CAOFGEZJPZVJEA-VIFPVBQESA-N -1 0 320.367 -0.551 20 0 DBADRM NC(=O)Cn1cc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)nn1 ZINC001571149751 1025869329 /nfs/dbraw/zinc/86/93/29/1025869329.db2.gz JOYGUBMKPGUZKK-JTQLQIEISA-N -1 0 321.259 -0.398 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC([C@H]2COC(=O)N2)CC1)C(=O)[O-] ZINC001571149057 1025869421 /nfs/dbraw/zinc/86/94/21/1025869421.db2.gz KTKRVHACGIBAEQ-WCBMZHEXSA-N -1 0 320.367 -0.143 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)CCn2ccnc2)CC1 ZINC001571149081 1025869455 /nfs/dbraw/zinc/86/94/55/1025869455.db2.gz LHKVMHUUBYTMML-VXGBXAGGSA-N -1 0 320.349 -0.335 20 0 DBADRM C[C@@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC001571149648 1025869536 /nfs/dbraw/zinc/86/95/36/1025869536.db2.gz FGXXJJNTSYTMDC-WYUUTHIRSA-N -1 0 320.411 -0.122 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001571150280 1025870047 /nfs/dbraw/zinc/87/00/47/1025870047.db2.gz DHCMVIXCKJHTSY-BDAKNGLRSA-N -1 0 321.351 -0.821 20 0 DBADRM Cc1c(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nnn1C ZINC001571150749 1025870371 /nfs/dbraw/zinc/87/03/71/1025870371.db2.gz MACWFYBSOXEAKC-ZJUUUORDSA-N -1 0 321.337 -0.871 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001571150537 1025870726 /nfs/dbraw/zinc/87/07/26/1025870726.db2.gz JCMBIVSMNNEMMA-AATLWQCWSA-N -1 0 321.337 -0.542 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001571150374 1025870751 /nfs/dbraw/zinc/87/07/51/1025870751.db2.gz HOPWWWKXYTYCNH-VIFPVBQESA-N -1 0 321.341 -0.360 20 0 DBADRM CCn1cc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001571151126 1025870778 /nfs/dbraw/zinc/87/07/78/1025870778.db2.gz RDXLMFWIGWVKFV-UWVGGRQHSA-N -1 0 321.337 -0.697 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001571150943 1025870994 /nfs/dbraw/zinc/87/09/94/1025870994.db2.gz PCICMEAERSWZNA-ZJUUUORDSA-N -1 0 321.337 -0.506 20 0 DBADRM COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)CCCC(=O)[O-] ZINC001571150966 1025871128 /nfs/dbraw/zinc/87/11/28/1025871128.db2.gz PLQUAOXXEAUULM-VIFPVBQESA-N -1 0 321.351 -0.570 20 0 DBADRM CNC(=O)c1cccc(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)n1 ZINC001571151397 1025871809 /nfs/dbraw/zinc/87/18/09/1025871809.db2.gz VRMFMPGMBVTHED-ZJUUUORDSA-N -1 0 321.333 -0.092 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001571151402 1025872155 /nfs/dbraw/zinc/87/21/55/1025872155.db2.gz VSXLTKWAPQXYKM-DTWKUNHWSA-N -1 0 321.355 -0.932 20 0 DBADRM CN(C)C(=O)c1cccc(NC(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001571152510 1025872547 /nfs/dbraw/zinc/87/25/47/1025872547.db2.gz CTOPQHPLSKUIDJ-UHFFFAOYSA-N -1 0 322.321 -0.289 20 0 DBADRM NC(=O)Cn1cc(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)ccc1=O ZINC001571153137 1025873196 /nfs/dbraw/zinc/87/31/96/1025873196.db2.gz JTQUEQOCPWIARV-BDAKNGLRSA-N -1 0 322.321 -0.292 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC001571154043 1025873774 /nfs/dbraw/zinc/87/37/74/1025873774.db2.gz SLQZLSFXKQYGLO-VXGBXAGGSA-N -1 0 322.317 -0.069 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC001571154668 1025874393 /nfs/dbraw/zinc/87/43/93/1025874393.db2.gz SCQCVCFXTRLJHZ-SNVBAGLBSA-N -1 0 321.399 -0.562 20 0 DBADRM O=C([O-])c1cnc(N[C@H]2CCN(C(=O)[C@H]3COCCO3)C2)nc1 ZINC001571154383 1025874476 /nfs/dbraw/zinc/87/44/76/1025874476.db2.gz XMBIBOGRVRZREX-WDEREUQCSA-N -1 0 322.321 -0.397 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001571153870 1025874597 /nfs/dbraw/zinc/87/45/97/1025874597.db2.gz SJTHBWOEYUFGEX-KBVBSXBZSA-N -1 0 322.321 -0.632 20 0 DBADRM CNC(=O)NC1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001571154595 1025874980 /nfs/dbraw/zinc/87/49/80/1025874980.db2.gz PQGZWWMCGDBPNK-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM CN(Cc1nnn(C)n1)C1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571156203 1025875898 /nfs/dbraw/zinc/87/58/98/1025875898.db2.gz NDIAEPYZARQYQT-WDEREUQCSA-N -1 0 322.369 -0.646 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3CCOCC3)C[C@H]21 ZINC001571155899 1025876031 /nfs/dbraw/zinc/87/60/31/1025876031.db2.gz HNCMESXLEZRTLA-FHUSYTEZSA-N -1 0 322.361 -0.293 20 0 DBADRM COC1(CS(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)CCOCC1 ZINC001571158407 1025876160 /nfs/dbraw/zinc/87/61/60/1025876160.db2.gz LXFHIBKKECTFSB-GFCCVEGCSA-N -1 0 323.367 -0.967 20 0 DBADRM O=C(CN1CCCC1=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001571157753 1025876319 /nfs/dbraw/zinc/87/63/19/1025876319.db2.gz BMOYKPZAXMFIHJ-VLEAKVRGSA-N -1 0 323.349 -0.907 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)[C@H]1CCC[C@H]1OC)C(=O)[O-] ZINC001571158099 1025876665 /nfs/dbraw/zinc/87/66/65/1025876665.db2.gz GSDHXQXVMRPPJR-BBBLOLIVSA-N -1 0 323.367 -0.120 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001571156168 1025876679 /nfs/dbraw/zinc/87/66/79/1025876679.db2.gz MBILHUGQCDZVFK-ZJUUUORDSA-N -1 0 322.383 -0.041 20 0 DBADRM CN(C(=O)CCCS(N)(=O)=O)[C@H](COC1CCC1)C(=O)[O-] ZINC001571156467 1025876717 /nfs/dbraw/zinc/87/67/17/1025876717.db2.gz WXVVDYLFTVCOIR-SNVBAGLBSA-N -1 0 322.383 -0.464 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)CNC(=O)N1CCCC1)C(=O)[O-] ZINC001571158393 1025877013 /nfs/dbraw/zinc/87/70/13/1025877013.db2.gz LNJIRTNZFQHNHM-CQSZACIVSA-N -1 0 323.353 -0.352 20 0 DBADRM CSCC[C@H](NS(=O)(=O)c1occc1C(=O)[O-])C(N)=O ZINC001571156551 1025877034 /nfs/dbraw/zinc/87/70/34/1025877034.db2.gz ZGJCAMWONZCADJ-ZETCQYMHSA-N -1 0 322.364 -0.137 20 0 DBADRM Cn1nccc1CCC(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-] ZINC001571159884 1025877448 /nfs/dbraw/zinc/87/74/48/1025877448.db2.gz OQFCTKKTDLSKNS-UHFFFAOYSA-N -1 0 323.309 -0.216 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@H](O)C(F)(F)C1)C(=O)[O-] ZINC001571159260 1025877603 /nfs/dbraw/zinc/87/76/03/1025877603.db2.gz DNGCRXPQWHRALT-FXQIFTODSA-N -1 0 323.296 -0.624 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCCc2nnc3n2CCCCC3)C1 ZINC001571159051 1025877799 /nfs/dbraw/zinc/87/77/99/1025877799.db2.gz WZFIVDXNOFQZPK-UHFFFAOYSA-N -1 0 323.353 -0.612 20 0 DBADRM CC(C)[C@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])N1CCCC1=O ZINC001571159141 1025878182 /nfs/dbraw/zinc/87/81/82/1025878182.db2.gz ZDDMJKAECVQPJS-CMPLNLGQSA-N -1 0 323.353 -0.506 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001571161122 1025878488 /nfs/dbraw/zinc/87/84/88/1025878488.db2.gz MKVUJMIIOHWCJX-UHFFFAOYSA-N -1 0 323.758 -0.423 20 0 DBADRM CN(C(=O)c1nc2n(n1)CCCN2)[C@@H](COC1CCC1)C(=O)[O-] ZINC001571158751 1025878682 /nfs/dbraw/zinc/87/86/82/1025878682.db2.gz QVVSZSPJVNWGJJ-JTQLQIEISA-N -1 0 323.353 -0.555 20 0 DBADRM O=C([O-])N1CCC(C(=O)N[C@H](CO)[C@H](O)c2ccccn2)CC1 ZINC001571158428 1025878998 /nfs/dbraw/zinc/87/89/98/1025878998.db2.gz MMLYFQWXPDUMGQ-CHWSQXEVSA-N -1 0 323.349 -0.018 20 0 DBADRM CCOc1ccc(C(=O)NCC(=O)N[C@@](C)(CO)C(=O)[O-])cc1 ZINC001571163883 1025879801 /nfs/dbraw/zinc/87/98/01/1025879801.db2.gz UTJKSQGXULAQMS-HNNXBMFYSA-N -1 0 324.333 -0.233 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])CC2 ZINC001571163379 1025879854 /nfs/dbraw/zinc/87/98/54/1025879854.db2.gz KDGDHMJLHNMZQI-ZJUUUORDSA-N -1 0 324.337 -0.519 20 0 DBADRM CC(C)(C)[C@H](O)C[C@H](CO)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001571161695 1025879890 /nfs/dbraw/zinc/87/98/90/1025879890.db2.gz WXFVMJXFLOFHGH-CHWFTXMASA-N -1 0 323.411 -0.073 20 0 DBADRM COCc1noc(CN2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001571163405 1025879941 /nfs/dbraw/zinc/87/99/41/1025879941.db2.gz KRXKTOYUEKYYAS-NXEZZACHSA-N -1 0 324.337 -0.419 20 0 DBADRM C[C@]1(CNC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CCC(=O)N1 ZINC001571163167 1025880214 /nfs/dbraw/zinc/88/02/14/1025880214.db2.gz FJENWOSXJMKALE-KGLIPLIRSA-N -1 0 324.337 -0.330 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])CC2 ZINC001571162969 1025880254 /nfs/dbraw/zinc/88/02/54/1025880254.db2.gz AIRKGARXCPZNAJ-WPRPVWTQSA-N -1 0 324.337 -0.748 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001571162999 1025880405 /nfs/dbraw/zinc/88/04/05/1025880405.db2.gz BQOGFAWSBRAWOG-ATEUNZGCSA-N -1 0 324.337 -0.345 20 0 DBADRM COCc1noc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001571163977 1025880497 /nfs/dbraw/zinc/88/04/97/1025880497.db2.gz YJBXQOJOJDMOCB-JXUBOQSCSA-N -1 0 324.337 -0.327 20 0 DBADRM CCN1C(=O)CO[C@H](C(=O)N[C@H](C)C(=O)[O-])[C@H]1c1ccnn1C ZINC001571163982 1025880686 /nfs/dbraw/zinc/88/06/86/1025880686.db2.gz YJDHDBBCFXYEEK-FXAINCCUSA-N -1 0 324.337 -0.702 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@@H]1C(=O)[O-] ZINC001571163438 1025880962 /nfs/dbraw/zinc/88/09/62/1025880962.db2.gz MABUKGVEPSLCGE-DTWKUNHWSA-N -1 0 324.337 -0.021 20 0 DBADRM COCc1noc(CN2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001571163407 1025881063 /nfs/dbraw/zinc/88/10/63/1025881063.db2.gz KRXKTOYUEKYYAS-VHSXEESVSA-N -1 0 324.337 -0.419 20 0 DBADRM CO[C@H]1CN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)[C@](C)(C(=O)[O-])C1 ZINC001571163580 1025881152 /nfs/dbraw/zinc/88/11/52/1025881152.db2.gz NBSRMOGXNGJXSQ-PYUPQCDSSA-N -1 0 324.337 -0.322 20 0 DBADRM COCCN(C)S(=O)(=O)N(C)[C@@H](COC1CCC1)C(=O)[O-] ZINC001571165915 1025882414 /nfs/dbraw/zinc/88/24/14/1025882414.db2.gz QMWZDKSKZJATQR-NSHDSACASA-N -1 0 324.399 -0.237 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC001571164738 1025883002 /nfs/dbraw/zinc/88/30/02/1025883002.db2.gz DEZCKAAFNNAEBO-UHFFFAOYSA-N -1 0 324.341 -0.107 20 0 DBADRM CCCC(=O)N[C@H](C)CCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001572072361 1026247622 /nfs/dbraw/zinc/24/76/22/1026247622.db2.gz KOLVDVJHKNHYJN-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM CC(C)=CC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001572375382 1026375305 /nfs/dbraw/zinc/37/53/05/1026375305.db2.gz LOLJSYIMCKIVQN-IUCAKERBSA-N -1 0 321.337 -0.032 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C2CS(=O)(=O)C2)cn1 ZINC001573407323 1026565726 /nfs/dbraw/zinc/56/57/26/1026565726.db2.gz HUCLBUHQICKDJK-UHFFFAOYSA-N -1 0 301.324 -0.314 20 0 DBADRM CC(=O)NCCNC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001573352354 1026553260 /nfs/dbraw/zinc/55/32/60/1026553260.db2.gz DMBMVZSVJNSZLC-IQLKVPPVSA-N -1 0 313.354 -0.166 20 0 DBADRM CC(=O)Nc1ccc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cn1 ZINC001573353254 1026553746 /nfs/dbraw/zinc/55/37/46/1026553746.db2.gz VNMDFPJPPCAXIJ-JTQLQIEISA-N -1 0 306.278 -0.114 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])c1cnccn1 ZINC001573362857 1026556198 /nfs/dbraw/zinc/55/61/98/1026556198.db2.gz GCTQZNNTCZGBAK-PSASIEDQSA-N -1 0 313.335 -0.710 20 0 DBADRM C=Cc1ccc(C(=O)NC[C@H](O)CNC(=O)CNC(=O)[O-])cc1 ZINC001573384376 1026558503 /nfs/dbraw/zinc/55/85/03/1026558503.db2.gz KPWCLZUCQJKGQK-GFCCVEGCSA-N -1 0 321.333 -0.196 20 0 DBADRM C/C(=C/C(=O)N[C@@H]1CN(C(=O)CNC(=O)[O-])C[C@@H]1O)C1CC1 ZINC001573385623 1026559363 /nfs/dbraw/zinc/55/93/63/1026559363.db2.gz IAPJKWMQGJKUNX-XQXCJCPYSA-N -1 0 311.338 -0.702 20 0 DBADRM CC(=O)c1sc(NC(=O)NC(CO)CO)nc1C(=O)[O-] ZINC001573397299 1026561974 /nfs/dbraw/zinc/56/19/74/1026561974.db2.gz JVEWRIQEFPSEDK-UHFFFAOYSA-N -1 0 303.296 -0.481 20 0 DBADRM CC(=O)CCCC(=O)NC[C@@H]1CCN(C(=O)CNC(=O)[O-])C1 ZINC001573400038 1026562757 /nfs/dbraw/zinc/56/27/57/1026562757.db2.gz QBFOZLRWHAKOBL-NSHDSACASA-N -1 0 313.354 -0.022 20 0 DBADRM CC(=O)N(C)CCN1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001573401338 1026563016 /nfs/dbraw/zinc/56/30/16/1026563016.db2.gz QHQLIMJUFSHRCJ-UHFFFAOYSA-N -1 0 307.354 -0.225 20 0 DBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccncc1)[C@H]1CCC(=O)N1 ZINC001573400308 1026563673 /nfs/dbraw/zinc/56/36/73/1026563673.db2.gz WLFDTBYMZPYTJQ-JAAHAHCPSA-N -1 0 321.333 -0.401 20 0 DBADRM CC(=O)CCCC(=O)N(C)CCN(C)C(=O)CNC(=O)[O-] ZINC001573400012 1026563904 /nfs/dbraw/zinc/56/39/04/1026563904.db2.gz OZVVPEFPIMNYKK-UHFFFAOYSA-N -1 0 301.343 -0.070 20 0 DBADRM CC(=O)N(C)c1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)cn1 ZINC001573401717 1026564139 /nfs/dbraw/zinc/56/41/39/1026564139.db2.gz UQZBWPGHXZIHPC-UHFFFAOYSA-N -1 0 318.293 -0.007 20 0 DBADRM CC(=O)CCCC(=O)NC[C@H](C)N(C)C(=O)CNC(=O)[O-] ZINC001573399799 1026564177 /nfs/dbraw/zinc/56/41/77/1026564177.db2.gz NCHPLMUBYFIUEP-VIFPVBQESA-N -1 0 301.343 -0.024 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)CCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001573402672 1026564603 /nfs/dbraw/zinc/56/46/03/1026564603.db2.gz KYQIYWMPWCENRW-WDEREUQCSA-N -1 0 313.354 -0.898 20 0 DBADRM CC(=O)N1CCC[C@@H](N(CCO)c2ncc(C(=O)[O-])cn2)C1 ZINC001573409510 1026564659 /nfs/dbraw/zinc/56/46/59/1026564659.db2.gz DVHXIGHRJMMMOO-GFCCVEGCSA-N -1 0 308.338 -0.016 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)C[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001573402873 1026565345 /nfs/dbraw/zinc/56/53/45/1026565345.db2.gz NSAIRGHBITYJSU-SECBINFHSA-N -1 0 323.353 -0.088 20 0 DBADRM C[C@@H](C(=O)[O-])C1CN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001573407515 1026565586 /nfs/dbraw/zinc/56/55/86/1026565586.db2.gz LRQXEGJXGZZCPM-ZCFIWIBFSA-N -1 0 302.308 -0.280 20 0 DBADRM C[C@@H](C(=O)[O-])C1CN(C(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001573407318 1026565987 /nfs/dbraw/zinc/56/59/87/1026565987.db2.gz HHHIMPJFBPMPRW-ZCFIWIBFSA-N -1 0 304.253 -0.388 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001573414890 1026566662 /nfs/dbraw/zinc/56/66/62/1026566662.db2.gz WSNHZDVXNFALAU-VIFPVBQESA-N -1 0 314.338 -0.233 20 0 DBADRM CC(=O)N1CC(C(=O)N(C)CCNc2ncc(C(=O)[O-])cn2)C1 ZINC001573410655 1026567753 /nfs/dbraw/zinc/56/77/53/1026567753.db2.gz ULJCIAJQZCTPGY-UHFFFAOYSA-N -1 0 321.337 -0.477 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001573413473 1026568437 /nfs/dbraw/zinc/56/84/37/1026568437.db2.gz GQKJGQYJQJPMAE-SECBINFHSA-N -1 0 311.294 -0.374 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001573421711 1026569479 /nfs/dbraw/zinc/56/94/79/1026569479.db2.gz KROAEKLERGYXPL-QMMMGPOBSA-N -1 0 309.326 -0.748 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001573420899 1026569659 /nfs/dbraw/zinc/56/96/59/1026569659.db2.gz GFAATDIUEOVQPG-HTQZYQBOSA-N -1 0 309.326 -0.962 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)CNC(=O)[O-] ZINC001573418780 1026570017 /nfs/dbraw/zinc/57/00/17/1026570017.db2.gz VGFQCTNGDRCABY-MRVPVSSYSA-N -1 0 316.358 -0.868 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001573422066 1026570065 /nfs/dbraw/zinc/57/00/65/1026570065.db2.gz PAXOCBQYNSRQFG-RKDXNWHRSA-N -1 0 323.353 -0.715 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)c1ncc(C(=O)[O-])cn1 ZINC001573421950 1026570086 /nfs/dbraw/zinc/57/00/86/1026570086.db2.gz NXWLZMVDVHJLTK-DTWKUNHWSA-N -1 0 323.353 -0.360 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573426493 1026570977 /nfs/dbraw/zinc/57/09/77/1026570977.db2.gz FCULXIIAOAVEIR-AVPPRXQKSA-N -1 0 321.337 -0.242 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573427937 1026571301 /nfs/dbraw/zinc/57/13/01/1026571301.db2.gz MTYQDSPBGPDXSH-LLVKDONJSA-N -1 0 321.337 -0.286 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)[C@@H]1C ZINC001573427975 1026571372 /nfs/dbraw/zinc/57/13/72/1026571372.db2.gz NRUCJPZCJNMOAT-GZMMTYOYSA-N -1 0 321.337 -0.288 20 0 DBADRM CC(=O)N[C@@H]1CC2(CN(C(=O)CNC(=O)[O-])C2)n2ccnc21 ZINC001573427366 1026571401 /nfs/dbraw/zinc/57/14/01/1026571401.db2.gz XJARMWXGVTVHJW-SECBINFHSA-N -1 0 307.310 -0.731 20 0 DBADRM CC(=O)NCC(=O)N1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C[C@@H]1C ZINC001573427688 1026571905 /nfs/dbraw/zinc/57/19/05/1026571905.db2.gz FSWDLWRVEKTHHE-KWQFWETISA-N -1 0 321.337 -0.288 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1C[C@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001573429469 1026572750 /nfs/dbraw/zinc/57/27/50/1026572750.db2.gz JFGCHKIWVFQQJD-MGCOHNPYSA-N -1 0 321.337 -0.961 20 0 DBADRM CC(=O)NCC(=O)NCC1CC(Nc2ccnc(C(=O)[O-])n2)C1 ZINC001573430938 1026573090 /nfs/dbraw/zinc/57/30/90/1026573090.db2.gz XAXISHTWEQDLHZ-UHFFFAOYSA-N -1 0 321.337 -0.961 20 0 DBADRM CC(=O)N[C@H]1CCN([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001573428185 1026573126 /nfs/dbraw/zinc/57/31/26/1026573126.db2.gz RTYWWVCPEXCGRQ-GWCFXTLKSA-N -1 0 311.382 -0.092 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001573430550 1026573161 /nfs/dbraw/zinc/57/31/61/1026573161.db2.gz RVKVFZXEJZMZPF-SNVBAGLBSA-N -1 0 321.337 -0.604 20 0 DBADRM CC(=O)NCC(=O)N(C)CCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001573428364 1026573471 /nfs/dbraw/zinc/57/34/71/1026573471.db2.gz UQBOFLDIBZBBJL-UHFFFAOYSA-N -1 0 323.353 -0.404 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](CNC(=O)CNC(=O)[O-])CC(C)C ZINC001573429131 1026573697 /nfs/dbraw/zinc/57/36/97/1026573697.db2.gz DEYWZFZVTNRKMH-SNVBAGLBSA-N -1 0 316.358 -0.963 20 0 DBADRM CC(=O)NCC(=O)NC[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001573429032 1026573858 /nfs/dbraw/zinc/57/38/58/1026573858.db2.gz AYKBWLFAKVUSIV-SNVBAGLBSA-N -1 0 321.337 -0.747 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001573428440 1026573991 /nfs/dbraw/zinc/57/39/91/1026573991.db2.gz XCTWHJSRDJSGPX-JTQLQIEISA-N -1 0 321.337 -0.864 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001573430211 1026574040 /nfs/dbraw/zinc/57/40/40/1026574040.db2.gz QEAYOLNLZCXVOA-JTQLQIEISA-N -1 0 316.354 -0.129 20 0 DBADRM CC(=O)NCC(=O)NC[C@@H]1CCCN1c1ccnc(C(=O)[O-])n1 ZINC001573431151 1026574708 /nfs/dbraw/zinc/57/47/08/1026574708.db2.gz ZIQCQGKSHHLNMO-JTQLQIEISA-N -1 0 321.337 -0.604 20 0 DBADRM CC(=O)Nc1ccc(C(=O)NCCC(=O)NCCC(=O)[O-])nc1 ZINC001573443650 1026574762 /nfs/dbraw/zinc/57/47/62/1026574762.db2.gz YHSMCFMHPXFZCW-UHFFFAOYSA-N -1 0 322.321 -0.249 20 0 DBADRM CC(=O)N[C@@H](C(=O)NCCNc1ccnc(C(=O)[O-])n1)C(C)C ZINC001573435909 1026575296 /nfs/dbraw/zinc/57/52/96/1026575296.db2.gz DILLIKYUYBEKQY-LLVKDONJSA-N -1 0 323.353 -0.715 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C1CCCC1)C(N)=O ZINC001573436234 1026575844 /nfs/dbraw/zinc/57/58/44/1026575844.db2.gz LEJIOROREYQHDE-QWRGUYRKSA-N -1 0 313.354 -0.484 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001573464736 1026577364 /nfs/dbraw/zinc/57/73/64/1026577364.db2.gz JNUYERYXBWSHFL-DJLDLDEBSA-N -1 0 302.327 -0.291 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001573464737 1026577837 /nfs/dbraw/zinc/57/78/37/1026577837.db2.gz JNUYERYXBWSHFL-IWSPIJDZSA-N -1 0 302.327 -0.291 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)NCCO)C1 ZINC001573450607 1026578215 /nfs/dbraw/zinc/57/82/15/1026578215.db2.gz HCTUKTOTXMQUOU-ZDUSSCGKSA-N -1 0 318.326 -0.814 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001573464757 1026578234 /nfs/dbraw/zinc/57/82/34/1026578234.db2.gz KNWKJZQMHQXFQO-AMIZOPFISA-N -1 0 320.342 -0.786 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)[C@H](O)CC(=O)[O-] ZINC001573464411 1026578255 /nfs/dbraw/zinc/57/82/55/1026578255.db2.gz FFNVWXNDRRBZMR-DTWKUNHWSA-N -1 0 302.327 -0.052 20 0 DBADRM CC(=O)Nc1ccc(CNC(=O)N2CC(O)(C(=O)[O-])C2)cn1 ZINC001573447959 1026578265 /nfs/dbraw/zinc/57/82/65/1026578265.db2.gz OIUBXHODBCBHSS-UHFFFAOYSA-N -1 0 308.294 -0.619 20 0 DBADRM CC(C)(C)n1cc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)nn1 ZINC001573475464 1026578964 /nfs/dbraw/zinc/57/89/64/1026578964.db2.gz OWZFNHLSYHHZFU-IUCAKERBSA-N -1 0 311.342 -0.266 20 0 DBADRM CC(C)(CC(=O)N1CC[C@H](CNS(C)(=O)=O)C1)C(=O)[O-] ZINC001573476499 1026579096 /nfs/dbraw/zinc/57/90/96/1026579096.db2.gz IAWGGVZPIXSHJO-SECBINFHSA-N -1 0 306.384 -0.115 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[O-])[C@@H](CO)C1 ZINC001573465710 1026579417 /nfs/dbraw/zinc/57/94/17/1026579417.db2.gz VTKJXGVTSHGNTH-SECBINFHSA-N -1 0 317.342 -0.306 20 0 DBADRM CC(C)(C)[C@H](NC(=O)c1nc2ncc(CCO)cn2n1)C(=O)[O-] ZINC001573469746 1026580212 /nfs/dbraw/zinc/58/02/12/1026580212.db2.gz VQIOYHYCLXFIHB-SECBINFHSA-N -1 0 321.337 -0.112 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H](O)CC(=O)[O-])C1 ZINC001573468660 1026580246 /nfs/dbraw/zinc/58/02/46/1026580246.db2.gz PCPOACXZJUMOJO-BDAKNGLRSA-N -1 0 302.327 -0.052 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)N(CC(N)=O)CC(=O)[O-] ZINC001573468717 1026580450 /nfs/dbraw/zinc/58/04/50/1026580450.db2.gz QZTUWISYBZNCSG-DTWKUNHWSA-N -1 0 314.338 -0.247 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001573492508 1026581134 /nfs/dbraw/zinc/58/11/34/1026581134.db2.gz SGJGPQFMIRDRKW-VHSXEESVSA-N -1 0 313.354 -0.674 20 0 DBADRM CC(C)(CNS(N)(=O)=O)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573482363 1026581192 /nfs/dbraw/zinc/58/11/92/1026581192.db2.gz VKBYKRJCZFNFPW-JGVFFNPUSA-N -1 0 307.372 -0.825 20 0 DBADRM CC(C)[C@H](O)CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001573499327 1026581558 /nfs/dbraw/zinc/58/15/58/1026581558.db2.gz JQJZVUDQVCLOST-GHMZBOCLSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N(C)CCC(=O)[O-] ZINC001573493915 1026582787 /nfs/dbraw/zinc/58/27/87/1026582787.db2.gz ZDAABJNIQJLVNY-VIFPVBQESA-N -1 0 301.343 -0.674 20 0 DBADRM CC(C)(O)C(C)(C)NC(=O)NCCOCCOCC(=O)[O-] ZINC001573483458 1026582912 /nfs/dbraw/zinc/58/29/12/1026582912.db2.gz VUIZUEVTBUBOND-UHFFFAOYSA-N -1 0 306.359 -0.047 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC001573531398 1026584158 /nfs/dbraw/zinc/58/41/58/1026584158.db2.gz POFZKOHEUBLICX-TVQRCGJNSA-N -1 0 301.343 -0.323 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)NCc2nc(C(=O)[O-])n[nH]2)CC1=O ZINC001573516037 1026584431 /nfs/dbraw/zinc/58/44/31/1026584431.db2.gz IGJONHALPTVARH-QMMMGPOBSA-N -1 0 309.326 -0.376 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001573531000 1026584803 /nfs/dbraw/zinc/58/48/03/1026584803.db2.gz KOPJBUKPZZZCHI-UTLUCORTSA-N -1 0 301.343 -0.182 20 0 DBADRM C[C@@H](CCC(=O)[O-])NC(=O)N1CCN(c2nccnn2)CC1 ZINC001573540193 1026586109 /nfs/dbraw/zinc/58/61/09/1026586109.db2.gz GRYBBXNUJDVDGW-JTQLQIEISA-N -1 0 308.342 -0.044 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001573540706 1026586263 /nfs/dbraw/zinc/58/62/63/1026586263.db2.gz NGICCFASBBSKJH-ZJUUUORDSA-N -1 0 313.354 -0.721 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573551094 1026588710 /nfs/dbraw/zinc/58/87/10/1026588710.db2.gz RBIAZXYESNDEGR-QYPWJOEMSA-N -1 0 307.372 -0.977 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001573540705 1026586738 /nfs/dbraw/zinc/58/67/38/1026586738.db2.gz NGICCFASBBSKJH-VHSXEESVSA-N -1 0 313.354 -0.721 20 0 DBADRM C[C@](CO)(Cn1cnc2ccccc21)NC(=O)[C@H](O)CC(=O)[O-] ZINC001573551757 1026588347 /nfs/dbraw/zinc/58/83/47/1026588347.db2.gz OTYFFJYFXUCFPI-IUODEOHRSA-N -1 0 321.333 -0.261 20 0 DBADRM C[C@@H](CNC(=O)N1CC[C@H](CS(N)(=O)=O)C1)CC(=O)[O-] ZINC001573544644 1026588538 /nfs/dbraw/zinc/58/85/38/1026588538.db2.gz SNVKIJMPNFTHPV-BDAKNGLRSA-N -1 0 307.372 -0.583 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)NC(=O)Cn1nnc2ccccc21)C(=O)[O-] ZINC001573552163 1026588784 /nfs/dbraw/zinc/58/87/84/1026588784.db2.gz DVNLSRCYFLPIQI-RKDXNWHRSA-N -1 0 319.321 -0.475 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(=O)[O-] ZINC001573553064 1026588871 /nfs/dbraw/zinc/58/88/71/1026588871.db2.gz VUXRPDZWJROBHN-TUAOUCFPSA-N -1 0 300.355 -0.297 20 0 DBADRM C[C@@H](CNC(=O)N1CC[C@@H](CS(N)(=O)=O)C1)CC(=O)[O-] ZINC001573544647 1026589039 /nfs/dbraw/zinc/58/90/39/1026589039.db2.gz SNVKIJMPNFTHPV-RKDXNWHRSA-N -1 0 307.372 -0.583 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001573547117 1026589099 /nfs/dbraw/zinc/58/90/99/1026589099.db2.gz HTEVEXKDAXISRF-LLVKDONJSA-N -1 0 301.387 -0.084 20 0 DBADRM C[C@@](CO)(Cn1cnc2ccccc21)NC(=O)[C@@H](O)CC(=O)[O-] ZINC001573551761 1026589339 /nfs/dbraw/zinc/58/93/39/1026589339.db2.gz OTYFFJYFXUCFPI-WFASDCNBSA-N -1 0 321.333 -0.261 20 0 DBADRM CC(CO)(CO)CNc1nc(C(=O)[O-])ncc1Br ZINC001573550875 1026589595 /nfs/dbraw/zinc/58/95/95/1026589595.db2.gz JIRFNCKWRHNPMH-UHFFFAOYSA-N -1 0 320.143 -0.238 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573551092 1026589834 /nfs/dbraw/zinc/58/98/34/1026589834.db2.gz RBIAZXYESNDEGR-QKUZVNEOSA-N -1 0 307.372 -0.977 20 0 DBADRM C[C@@H](CNS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001573550689 1026590024 /nfs/dbraw/zinc/59/00/24/1026590024.db2.gz HNDMTJMIZLZCBE-IUCAKERBSA-N -1 0 313.397 -0.549 20 0 DBADRM C[C@@H](CNC(=O)c1c2c(nn1C)CCS(=O)(=O)C2)C(=O)[O-] ZINC001573550419 1026590131 /nfs/dbraw/zinc/59/01/31/1026590131.db2.gz GOGDDJZXPVSABC-ZETCQYMHSA-N -1 0 315.351 -0.659 20 0 DBADRM C[C@@H](NC(=O)C1(O)CCSCC1)c1nc(C(=O)[O-])n[nH]1 ZINC001573560125 1026590989 /nfs/dbraw/zinc/59/09/89/1026590989.db2.gz PZXKRLNVVAWQJE-ZCFIWIBFSA-N -1 0 300.340 -0.062 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C(=O)[O-] ZINC001573581157 1026596084 /nfs/dbraw/zinc/59/60/84/1026596084.db2.gz ILAXKKLDPFZPIK-UOKLYIGXSA-N -1 0 305.352 -0.706 20 0 DBADRM C[C@@H](NC(=O)C1(N2CCOCC2)CC1)c1nc(C(=O)[O-])n[nH]1 ZINC001573560140 1026591992 /nfs/dbraw/zinc/59/19/92/1026591992.db2.gz QMGXVOSJTIJOEI-MRVPVSSYSA-N -1 0 309.326 -0.455 20 0 DBADRM C[C@@H](NC(=O)c1ccc(NC(=O)C2(O)COC2)cc1)C(=O)[O-] ZINC001573569290 1026592551 /nfs/dbraw/zinc/59/25/51/1026592551.db2.gz UBFCMOVTWAERSQ-MRVPVSSYSA-N -1 0 308.290 -0.411 20 0 DBADRM C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC001573561053 1026592576 /nfs/dbraw/zinc/59/25/76/1026592576.db2.gz BQUVLGNATIHDLQ-NXEZZACHSA-N -1 0 321.399 -0.050 20 0 DBADRM C[C@@H](NC(=O)NCc1cc(C(=O)[O-])no1)[C@H]1CN(C)CCO1 ZINC001573561548 1026592877 /nfs/dbraw/zinc/59/28/77/1026592877.db2.gz HQOKUYPZTOYSAD-LDYMZIIASA-N -1 0 312.326 -0.109 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1ccn2nccc2n1)C(=O)[O-] ZINC001573560680 1026593129 /nfs/dbraw/zinc/59/31/29/1026593129.db2.gz WNSMTAMHALCJOC-YUMQZZPRSA-N -1 0 305.294 -0.563 20 0 DBADRM C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC001573561056 1026594088 /nfs/dbraw/zinc/59/40/88/1026594088.db2.gz BQUVLGNATIHDLQ-ZJUUUORDSA-N -1 0 321.399 -0.050 20 0 DBADRM C[C@@H](NC(=O)c1nc2ncc(CCO)cn2n1)[C@@H](C)C(=O)[O-] ZINC001573573803 1026595604 /nfs/dbraw/zinc/59/56/04/1026595604.db2.gz XDNQREBZWWASJK-HTQZYQBOSA-N -1 0 307.310 -0.502 20 0 DBADRM C[C@H](CCCO)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001573579789 1026595758 /nfs/dbraw/zinc/59/57/58/1026595758.db2.gz KOJAPIUWNCFQMK-MNOVXSKESA-N -1 0 315.370 -0.088 20 0 DBADRM C[C@](O)(CNS(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1)C(=O)[O-] ZINC001573579644 1026595984 /nfs/dbraw/zinc/59/59/84/1026595984.db2.gz AHIRYVRVWLREFD-UMNHJUIQSA-N -1 0 307.368 -0.301 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccoc1C1(O)CCOCC1)C(=O)[O-] ZINC001573581101 1026596030 /nfs/dbraw/zinc/59/60/30/1026596030.db2.gz IABDPMLWERRWSO-CYBMUJFWSA-N -1 0 313.306 -0.157 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12)C(=O)[O-] ZINC001573579650 1026596144 /nfs/dbraw/zinc/59/61/44/1026596144.db2.gz AHNKCSQJQMGYGI-TURNYIBQSA-N -1 0 304.302 -0.152 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC001573582699 1026597563 /nfs/dbraw/zinc/59/75/63/1026597563.db2.gz OUDVHUMRGCTMEF-LLVKDONJSA-N -1 0 302.308 -0.950 20 0 DBADRM C[C@](O)(CNC(=O)c1ccc(CN2CCOCC2)o1)C(=O)[O-] ZINC001573584049 1026598002 /nfs/dbraw/zinc/59/80/02/1026598002.db2.gz ZKPKHPYUXQIUSH-AWEZNQCLSA-N -1 0 312.322 -0.323 20 0 DBADRM C[C@H](Oc1ccccn1)C(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573590046 1026598098 /nfs/dbraw/zinc/59/80/98/1026598098.db2.gz MYKRZDHHKQVIKO-AXFHLTTASA-N -1 0 309.322 -0.064 20 0 DBADRM C[C@@H](O)CN(C(=O)NCc1cc(C(=O)[O-])no1)[C@H](C)CO ZINC001573581831 1026598439 /nfs/dbraw/zinc/59/84/39/1026598439.db2.gz KXIJPMVKJHZCAW-HTQZYQBOSA-N -1 0 301.299 -0.354 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)NC[C@]2(C(=O)[O-])CCCOC2)nn1 ZINC001573582277 1026598596 /nfs/dbraw/zinc/59/85/96/1026598596.db2.gz LYQOINULLIOLAY-NOZJJQNGSA-N -1 0 312.326 -0.671 20 0 DBADRM C[C@@H](O)[C@@H](O)CN1CCN(c2nc(C(=O)[O-])cs2)CC1 ZINC001573583300 1026598740 /nfs/dbraw/zinc/59/87/40/1026598740.db2.gz SNJQAAVYANMRNL-SCZZXKLOSA-N -1 0 301.368 -0.295 20 0 DBADRM C[C@]1(C(=O)[O-])CN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC001573600625 1026599899 /nfs/dbraw/zinc/59/98/99/1026599899.db2.gz ICWZOJSTIUCODU-BXKDBHETSA-N -1 0 320.367 -0.551 20 0 DBADRM CC1(C(=O)[O-])CC([NH2+]Cc2nnc(CS(C)(=O)=O)[n-]2)C1 ZINC001573600274 1026600505 /nfs/dbraw/zinc/60/05/05/1026600505.db2.gz CDLLCMQQDGACBQ-UHFFFAOYSA-N -1 0 302.356 -0.308 20 0 DBADRM C[C@]1(C(=O)[O-])CN(C(=O)C2=CS(=O)(=O)CCC2)CCO1 ZINC001573600907 1026600729 /nfs/dbraw/zinc/60/07/29/1026600729.db2.gz LCIBDQGAUINOAL-GFCCVEGCSA-N -1 0 303.336 -0.219 20 0 DBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCO[C@@](C)(C(=O)[O-])C1 ZINC001573600277 1026600772 /nfs/dbraw/zinc/60/07/72/1026600772.db2.gz CERWFKWWYJACMP-AMIZOPFISA-N -1 0 301.343 -0.229 20 0 DBADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C1CC1)c1nnc2c(=O)[nH]ccn21 ZINC001573611338 1026602176 /nfs/dbraw/zinc/60/21/76/1026602176.db2.gz SGKNDCUAGWBPDD-POYBYMJQSA-N -1 0 305.294 -0.294 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC001573626532 1026603454 /nfs/dbraw/zinc/60/34/54/1026603454.db2.gz PRNZDGSFCBOIEN-YUMQZZPRSA-N -1 0 300.340 -0.333 20 0 DBADRM C[C@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)c1nccc(N)n1 ZINC001573624731 1026603484 /nfs/dbraw/zinc/60/34/84/1026603484.db2.gz KJBCSNUUEMKUKR-QMMMGPOBSA-N -1 0 317.305 -0.204 20 0 DBADRM C[C@]1([C@@H]2CCCN(C(=O)[C@H](O)CC(=O)[O-])C2)COC(=O)N1 ZINC001573620494 1026603902 /nfs/dbraw/zinc/60/39/02/1026603902.db2.gz ZFJBIKNIZPYHNY-JRKPZEMJSA-N -1 0 300.311 -0.441 20 0 DBADRM C[C@@]1(CC(=O)N[C@H](CC2CC2)C(=O)[O-])CCS(=O)(=O)N1 ZINC001573620325 1026604198 /nfs/dbraw/zinc/60/41/98/1026604198.db2.gz SXEQSKZAUDRMCA-SKDRFNHKSA-N -1 0 304.368 -0.172 20 0 DBADRM CC1=NO[C@H](CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)C1 ZINC001573626226 1026604339 /nfs/dbraw/zinc/60/43/39/1026604339.db2.gz NHJSIVZJUNUSDQ-UTLUCORTSA-N -1 0 300.315 -0.579 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H](C)CCC(=O)[O-] ZINC001573625858 1026604609 /nfs/dbraw/zinc/60/46/09/1026604609.db2.gz LZWDZKLSDXEKIQ-ZETCQYMHSA-N -1 0 303.340 -0.109 20 0 DBADRM C[C@@H]1CC[C@H](CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)O1 ZINC001573636419 1026605568 /nfs/dbraw/zinc/60/55/68/1026605568.db2.gz PGTOPZPCZQNYOZ-YTWAJWBKSA-N -1 0 301.343 -0.176 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(C(=O)[O-])CCCOC2)C(=O)O1 ZINC001573634954 1026606447 /nfs/dbraw/zinc/60/64/47/1026606447.db2.gz GZQBNQUJCMDDOP-KKFJDGPESA-N -1 0 300.311 -0.129 20 0 DBADRM C[C@H](O)c1ncc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])s1 ZINC001573635226 1026606762 /nfs/dbraw/zinc/60/67/62/1026606762.db2.gz KNQAWMMIJFEFNE-IONNQARKSA-N -1 0 320.392 -0.120 20 0 DBADRM CCC(=O)N[C@H](CCSC)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001573660387 1026609164 /nfs/dbraw/zinc/60/91/64/1026609164.db2.gz JEPDPMYLUASXJW-PRHODGIISA-N -1 0 306.384 -0.414 20 0 DBADRM CC[C@H](C(=O)N1CCC(C(=O)[O-])(S(C)(=O)=O)CC1)[C@@H](C)O ZINC001573660696 1026610129 /nfs/dbraw/zinc/61/01/29/1026610129.db2.gz KKBNPFOPHLIMLB-ZJUUUORDSA-N -1 0 321.395 -0.116 20 0 DBADRM C[C@@H]1NC(=O)[C@H](C)N(C(=O)Nc2ncn(CC(=O)[O-])n2)[C@H]1C ZINC001573660753 1026610359 /nfs/dbraw/zinc/61/03/59/1026610359.db2.gz LEBBDOQWIQUJSM-FXQIFTODSA-N -1 0 310.314 -0.508 20 0 DBADRM CC[C@@H](C(=O)N1CCC(C(=O)[O-])(S(C)(=O)=O)CC1)[C@@H](C)O ZINC001573660691 1026610426 /nfs/dbraw/zinc/61/04/26/1026610426.db2.gz KKBNPFOPHLIMLB-NXEZZACHSA-N -1 0 321.395 -0.116 20 0 DBADRM C[C@@H]1NC(=O)NC(Cn2cc(S(C)(=O)=O)cn2)=C1C(=O)[O-] ZINC001573661706 1026610758 /nfs/dbraw/zinc/61/07/58/1026610758.db2.gz RBRBEPRQWOFOFV-LURJTMIESA-N -1 0 314.323 -0.673 20 0 DBADRM CCC[C@H](C(=O)N1CC[C@@H]([C@@H](F)C(=O)[O-])C1)S(N)(=O)=O ZINC001573723380 1026622537 /nfs/dbraw/zinc/62/25/37/1026622537.db2.gz WWPKWFDJQFJNHV-IWSPIJDZSA-N -1 0 310.347 -0.285 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NC[C@H](CO)[C@H]1CCOC1 ZINC001573724064 1026622600 /nfs/dbraw/zinc/62/26/00/1026622600.db2.gz CTWYUPVPSHOXQA-HBNTYKKESA-N -1 0 309.384 -0.196 20 0 DBADRM C[C@@H]1CC[C@H](C(N)=O)[C@H](C)N1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001573711413 1026622682 /nfs/dbraw/zinc/62/26/82/1026622682.db2.gz MXADNKNJZWNWQN-VGMNWLOBSA-N -1 0 309.326 -0.523 20 0 DBADRM CCC[C@@H](C(=O)Nc1nn(CC)cc1C(=O)[O-])S(N)(=O)=O ZINC001573722487 1026623544 /nfs/dbraw/zinc/62/35/44/1026623544.db2.gz OOTNZIXOODGAHT-QMMMGPOBSA-N -1 0 318.355 -0.003 20 0 DBADRM CCC[C@@H](C(=O)Nc1cc(C)nn1CC(=O)[O-])S(N)(=O)=O ZINC001573722677 1026624021 /nfs/dbraw/zinc/62/40/21/1026624021.db2.gz QDZDLYAZBIFAMK-QMMMGPOBSA-N -1 0 318.355 -0.328 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N1CC2(C1)CCNC(=O)O2 ZINC001573724016 1026624131 /nfs/dbraw/zinc/62/41/31/1026624131.db2.gz BUDUKGXETLTEGI-MRVPVSSYSA-N -1 0 306.340 -0.246 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001573701596 1026624163 /nfs/dbraw/zinc/62/41/63/1026624163.db2.gz ZFJUTTKOZPEGNV-SDDRHHMPSA-N -1 0 309.322 -0.401 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NCCS(=O)(=O)N(C)C ZINC001573724683 1026624758 /nfs/dbraw/zinc/62/47/58/1026624758.db2.gz PFBQZJPFDVOLRM-MRVPVSSYSA-N -1 0 316.401 -0.950 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@H](CO)Cc1cnn(C)c1 ZINC001573724790 1026625016 /nfs/dbraw/zinc/62/50/16/1026625016.db2.gz RRFFYUXTRFRWBB-WDEREUQCSA-N -1 0 319.383 -0.504 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)OC ZINC001573724652 1026625169 /nfs/dbraw/zinc/62/51/69/1026625169.db2.gz OMNBPUQOEQMJOD-VGMNWLOBSA-N -1 0 309.340 -0.822 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N1CCSC[C@@H]1C(N)=O ZINC001573724268 1026625193 /nfs/dbraw/zinc/62/51/93/1026625193.db2.gz HSSFTXMTBLELNV-SFYZADRCSA-N -1 0 310.397 -0.528 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NCC(=O)N1CCOCC1 ZINC001573724811 1026625260 /nfs/dbraw/zinc/62/52/60/1026625260.db2.gz RZIMAKDPVUJMTG-SECBINFHSA-N -1 0 308.356 -0.982 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001573725127 1026625370 /nfs/dbraw/zinc/62/53/70/1026625370.db2.gz XCSVVCHRMSBDNG-IVZWLZJFSA-N -1 0 320.367 0.000 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NCC(=O)Nc1ccn(C)n1 ZINC001573724841 1026625630 /nfs/dbraw/zinc/62/56/30/1026625630.db2.gz SOCRZFWBYXHPKK-MRVPVSSYSA-N -1 0 318.355 -0.469 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N1CCSC[C@H]1C(N)=O ZINC001573724267 1026625929 /nfs/dbraw/zinc/62/59/29/1026625929.db2.gz HSSFTXMTBLELNV-JGVFFNPUSA-N -1 0 310.397 -0.528 20 0 DBADRM CCC[C@@H](O)[C@H](CO)NC(=O)CC1(C(=O)[O-])CCOCC1 ZINC001573734019 1026627342 /nfs/dbraw/zinc/62/73/42/1026627342.db2.gz PURNJAVIXIFQSY-WDEREUQCSA-N -1 0 303.355 -0.104 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCO[C@H]1C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001573741285 1026627996 /nfs/dbraw/zinc/62/79/96/1026627996.db2.gz VTVWILJLAXNLCN-QNSHHTMESA-N -1 0 318.341 -0.297 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1cccnc1C(=O)OC ZINC001573769215 1026629784 /nfs/dbraw/zinc/62/97/84/1026629784.db2.gz GWXGGIXSVNIDSG-UHFFFAOYSA-N -1 0 302.308 -0.037 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NCc1cc(C(=O)[O-])no1 ZINC001573770952 1026630023 /nfs/dbraw/zinc/63/00/23/1026630023.db2.gz ISJZHDQFMKJSPH-UHFFFAOYSA-N -1 0 319.339 -0.339 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1=O ZINC001573776896 1026630470 /nfs/dbraw/zinc/63/04/70/1026630470.db2.gz GEEXEEZMYDNODA-BBBLOLIVSA-N -1 0 304.368 -0.220 20 0 DBADRM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001573777208 1026630527 /nfs/dbraw/zinc/63/05/27/1026630527.db2.gz YTNMJZNOWKENEK-VHSXEESVSA-N -1 0 323.349 -0.034 20 0 DBADRM CCNC(=O)N1CC[C@H](NS(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001573782286 1026631624 /nfs/dbraw/zinc/63/16/24/1026631624.db2.gz QJIDUSSOLFRNQX-VIFPVBQESA-N -1 0 319.383 -0.283 20 0 DBADRM CCNC(=O)N1CC[C@@H](NS(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001573782285 1026632324 /nfs/dbraw/zinc/63/23/24/1026632324.db2.gz QJIDUSSOLFRNQX-SECBINFHSA-N -1 0 319.383 -0.283 20 0 DBADRM CCNC(=O)CCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001573778410 1026633251 /nfs/dbraw/zinc/63/32/51/1026633251.db2.gz VNRMMARMODQAFZ-STQMWFEESA-N -1 0 309.322 -0.399 20 0 DBADRM CCOC(=O)CCCN1CCOC[C@@H]1C(=O)NCC(=O)[O-] ZINC001573786497 1026634273 /nfs/dbraw/zinc/63/42/73/1026634273.db2.gz TWQPTWMVXRAKGI-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM CCOC(=O)Cc1csc(CNC(=O)[C@@H](O)CC(=O)[O-])n1 ZINC001573787722 1026634386 /nfs/dbraw/zinc/63/43/86/1026634386.db2.gz JZMRXDMNWOLEQJ-QMMMGPOBSA-N -1 0 316.335 -0.300 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001573786617 1026634501 /nfs/dbraw/zinc/63/45/01/1026634501.db2.gz WMORJCZAZCJOJZ-JQWIXIFHSA-N -1 0 311.290 -0.052 20 0 DBADRM CCOC(=O)CNC(=O)[C@H]1COCCN1CCCC(=O)[O-] ZINC001573787702 1026635005 /nfs/dbraw/zinc/63/50/05/1026635005.db2.gz JDORYTYGGREPOW-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)NCc1[nH]cnc1C(=O)[O-] ZINC001573785984 1026634696 /nfs/dbraw/zinc/63/46/96/1026634696.db2.gz FKCZLPCUMXIZLT-UHFFFAOYSA-N -1 0 319.339 -0.129 20 0 DBADRM CCOC(=O)CNC(=O)[C@@H]1COCCN1C[C@@H]1C[C@H]1C(=O)[O-] ZINC001573787761 1026634806 /nfs/dbraw/zinc/63/48/06/1026634806.db2.gz LGDHAPPSOHMODV-AXFHLTTASA-N -1 0 314.338 -0.913 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](CO)CC(=O)[O-])C1 ZINC001573786415 1026634891 /nfs/dbraw/zinc/63/48/91/1026634891.db2.gz RQYGTJUZFJRPDC-GHMZBOCLSA-N -1 0 316.354 -0.787 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)NCc1nc(CC(=O)[O-])cs1 ZINC001573786060 1026634922 /nfs/dbraw/zinc/63/49/22/1026634922.db2.gz GXFVUQQQSVMAOQ-MRVPVSSYSA-N -1 0 316.335 -0.300 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001573786616 1026635089 /nfs/dbraw/zinc/63/50/89/1026635089.db2.gz WMORJCZAZCJOJZ-CMPLNLGQSA-N -1 0 311.290 -0.052 20 0 DBADRM CC[C@H](CNC(=O)NC[C@@]1(CO)COCCN1C)C(=O)[O-] ZINC001573797852 1026635957 /nfs/dbraw/zinc/63/59/57/1026635957.db2.gz GRZVAJIWLIYTKI-ZWNOBZJWSA-N -1 0 303.359 -0.911 20 0 DBADRM CCOCn1nc(C)c(CC(=O)N[C@@H](CO)CC(=O)[O-])c1C ZINC001573803096 1026636214 /nfs/dbraw/zinc/63/62/14/1026636214.db2.gz XHIVHSSTVZFRQY-LLVKDONJSA-N -1 0 313.354 -0.012 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573801249 1026636347 /nfs/dbraw/zinc/63/63/47/1026636347.db2.gz SELCEEDCZGWJBB-UKKRHICBSA-N -1 0 317.342 -0.940 20 0 DBADRM CCO[C@@H](C)c1noc(CN(C)C(=O)[C@@H](O)CC(=O)[O-])n1 ZINC001573796747 1026636469 /nfs/dbraw/zinc/63/64/69/1026636469.db2.gz VMJVEOJIUVJTOJ-YUMQZZPRSA-N -1 0 301.299 -0.039 20 0 DBADRM CCO[C@H]1C[C@@H](NC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)C1 ZINC001573800954 1026636613 /nfs/dbraw/zinc/63/66/13/1026636613.db2.gz CPGSXEZTOWHUJK-MMWGEVLESA-N -1 0 301.343 -0.176 20 0 DBADRM CC[C@@H](CNC(=O)NC[C@@]1(OC)CCS(=O)(=O)C1)C(=O)[O-] ZINC001573798045 1026636883 /nfs/dbraw/zinc/63/68/83/1026636883.db2.gz MHSLAOZYGOWGRU-CABZTGNLSA-N -1 0 322.383 -0.400 20 0 DBADRM CCOC(=O)c1cnn(CC(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001573793237 1026636978 /nfs/dbraw/zinc/63/69/78/1026636978.db2.gz CJZRPQHYZUGFIZ-UHFFFAOYSA-N -1 0 310.310 -0.222 20 0 DBADRM CC[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@]1(F)C(=O)[O-] ZINC001573817375 1026638388 /nfs/dbraw/zinc/63/83/88/1026638388.db2.gz NWCVMWVCURTSCY-ISVAXAHUSA-N -1 0 313.285 -0.390 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N(CCOC)CC(=O)[O-])nn1 ZINC001573813284 1026639175 /nfs/dbraw/zinc/63/91/75/1026639175.db2.gz LBVRTUSYXIYJEN-SECBINFHSA-N -1 0 300.315 -0.778 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)N1CC([C@@H](F)C(=O)[O-])C1 ZINC001573807074 1026639511 /nfs/dbraw/zinc/63/95/11/1026639511.db2.gz DRDNHHVPBYLWSG-IONNQARKSA-N -1 0 310.347 -0.126 20 0 DBADRM CCn1cc(CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)cn1 ZINC001573847176 1026640897 /nfs/dbraw/zinc/64/08/97/1026640897.db2.gz IPQKWAOPRPIPGQ-MNOVXSKESA-N -1 0 311.342 -0.327 20 0 DBADRM CCn1cnnc1CNC(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC001573847244 1026641174 /nfs/dbraw/zinc/64/11/74/1026641174.db2.gz KXVRQKJUPKAWHI-CYBMUJFWSA-N -1 0 311.342 -0.021 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)CN2CCN(C)C(=O)C2)n1 ZINC001573844408 1026641355 /nfs/dbraw/zinc/64/13/55/1026641355.db2.gz HFKGVEBMSGGSDN-UHFFFAOYSA-N -1 0 309.326 -0.686 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)[nH]n1 ZINC001573853771 1026643300 /nfs/dbraw/zinc/64/33/00/1026643300.db2.gz CZCZOPOVMRNKMA-UHFFFAOYSA-N -1 0 305.312 -0.318 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001573831616 1026641659 /nfs/dbraw/zinc/64/16/59/1026641659.db2.gz DWJQPOSCRRTBPH-ZJUUUORDSA-N -1 0 323.367 -0.167 20 0 DBADRM CCn1cc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccncc2)nn1 ZINC001573845074 1026641771 /nfs/dbraw/zinc/64/17/71/1026641771.db2.gz WJAAVFRIBMWRPF-MNOVXSKESA-N -1 0 305.294 -0.390 20 0 DBADRM CC[C@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)C[C@]1(F)C(=O)[O-] ZINC001573826094 1026641804 /nfs/dbraw/zinc/64/18/04/1026641804.db2.gz LKHOFQPNZZFXBM-YSSBGUOXSA-N -1 0 311.331 -0.789 20 0 DBADRM CCn1nncc1C(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001573849984 1026642709 /nfs/dbraw/zinc/64/27/09/1026642709.db2.gz BGWPBOMUDHSEFH-OAQYLSRUSA-N -1 0 314.367 -0.264 20 0 DBADRM CN(C(=O)[C@@H]1CC(C(=O)[O-])=NN1c1ccccc1)c1nn[nH]n1 ZINC001573851741 1026643044 /nfs/dbraw/zinc/64/30/44/1026643044.db2.gz YKDBESNJPDXQKY-JTQLQIEISA-N -1 0 315.293 -0.118 20 0 DBADRM CN(C(=O)CCCS(N)(=O)=O)[C@@H](C(=O)[O-])c1cccnc1 ZINC001573852833 1026643180 /nfs/dbraw/zinc/64/31/80/1026643180.db2.gz RATXOJCRJXVVPD-LLVKDONJSA-N -1 0 315.351 -0.266 20 0 DBADRM CCn1nncc1CNC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573851344 1026643188 /nfs/dbraw/zinc/64/31/88/1026643188.db2.gz VPUKPFJLHWMKND-WCBMZHEXSA-N -1 0 312.330 -0.932 20 0 DBADRM CN(C(=O)CCNS(C)(=O)=O)[C@H](C(=O)[O-])c1cccnc1 ZINC001573852212 1026643223 /nfs/dbraw/zinc/64/32/23/1026643223.db2.gz JONOJNMMVKWDTC-NSHDSACASA-N -1 0 315.351 -0.395 20 0 DBADRM CN(C(=O)Cn1ncn(C)c1=O)[C@@H](C(=O)[O-])c1cccnc1 ZINC001573852883 1026643438 /nfs/dbraw/zinc/64/34/38/1026643438.db2.gz RXJRFBIAULJYMK-LLVKDONJSA-N -1 0 305.294 -0.739 20 0 DBADRM CN(C(=O)CN1CCOCC1=O)c1ncc(CC(=O)[O-])s1 ZINC001573853242 1026643851 /nfs/dbraw/zinc/64/38/51/1026643851.db2.gz XKEOGFPJLVKNPC-UHFFFAOYSA-N -1 0 313.335 -0.408 20 0 DBADRM CN(C)c1noc(CNS(=O)(=O)C2(CC(=O)[O-])CC2)n1 ZINC001573864762 1026644974 /nfs/dbraw/zinc/64/49/74/1026644974.db2.gz CLFNZYGHSDBIHP-UHFFFAOYSA-N -1 0 304.328 -0.438 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N2CC[C@@H]([C@H](F)C(=O)[O-])C2)n1 ZINC001573865874 1026647718 /nfs/dbraw/zinc/64/77/18/1026647718.db2.gz QVUAZAXXEYKARP-RQJHMYQMSA-N -1 0 312.305 -0.595 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)NC2(CC(=O)[O-])CCC2)CC1=O ZINC001573883746 1026649826 /nfs/dbraw/zinc/64/98/26/1026649826.db2.gz ORPIUVIQWAAUEY-VIFPVBQESA-N -1 0 304.368 -0.076 20 0 DBADRM CN1CCC[C@@H]1c1cc(C(=O)NCc2nc(C(=O)[O-])n[nH]2)[nH]n1 ZINC001573884194 1026651278 /nfs/dbraw/zinc/65/12/78/1026651278.db2.gz ALPNMFHTBZNFME-SECBINFHSA-N -1 0 319.325 -0.077 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)C1 ZINC001573884355 1026652515 /nfs/dbraw/zinc/65/25/15/1026652515.db2.gz DEHWJUVUQJYYGH-SRVKXCTJSA-N -1 0 309.322 -0.985 20 0 DBADRM CN1N=C(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccncc2)CCC1=O ZINC001573889313 1026652861 /nfs/dbraw/zinc/65/28/61/1026652861.db2.gz HROJZUMMCNYJDZ-RYUDHWBXSA-N -1 0 320.305 -0.707 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC001573887868 1026652891 /nfs/dbraw/zinc/65/28/91/1026652891.db2.gz KRYNRZNWZXBADN-GUBZILKMSA-N -1 0 316.354 -0.084 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCCC(=O)[O-] ZINC001573887604 1026652909 /nfs/dbraw/zinc/65/29/09/1026652909.db2.gz FDGFJBDHOZQESG-HTQZYQBOSA-N -1 0 303.315 -0.783 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC001573887871 1026653009 /nfs/dbraw/zinc/65/30/09/1026653009.db2.gz KRYNRZNWZXBADN-UTLUCORTSA-N -1 0 316.354 -0.084 20 0 DBADRM CNC(=O)C1(NS(=O)(=O)CCCC(=O)[O-])CCOCC1 ZINC001573889397 1026653653 /nfs/dbraw/zinc/65/36/53/1026653653.db2.gz LFXDWPVZHATHDK-UHFFFAOYSA-N -1 0 308.356 -0.934 20 0 DBADRM CNC(=O)[C@@H](NC(=O)Cn1ncc(C(=O)[O-])n1)c1ccccc1 ZINC001573889698 1026654809 /nfs/dbraw/zinc/65/48/09/1026654809.db2.gz USHHDGYHDBYTPX-LBPRGKRZSA-N -1 0 317.305 -0.420 20 0 DBADRM CNC(=O)N[C@@H]1CCCN(S(=O)(=O)C2(CC(=O)[O-])CC2)C1 ZINC001573889880 1026655275 /nfs/dbraw/zinc/65/52/75/1026655275.db2.gz BNEQABDLNQXWNK-SECBINFHSA-N -1 0 319.383 -0.283 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)N[C@@H](C)CCC(=O)[O-] ZINC001573890156 1026655484 /nfs/dbraw/zinc/65/54/84/1026655484.db2.gz IWIVLNMLOYZOIL-VHSXEESVSA-N -1 0 316.358 -0.421 20 0 DBADRM CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CCC(=O)[O-] ZINC001573889758 1026655592 /nfs/dbraw/zinc/65/55/92/1026655592.db2.gz WMWWEGQOHYXFPR-NSHDSACASA-N -1 0 314.363 -0.262 20 0 DBADRM CNC(=O)N[C@@H]1CCN(C(=O)NCc2cc(C(=O)[O-])no2)C1 ZINC001573890571 1026655895 /nfs/dbraw/zinc/65/58/95/1026655895.db2.gz SLKUMUMZLOBLQL-SSDOTTSWSA-N -1 0 311.298 -0.414 20 0 DBADRM COC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC001573906940 1026658134 /nfs/dbraw/zinc/65/81/34/1026658134.db2.gz HMADORQOORAZCF-GHMZBOCLSA-N -1 0 310.306 -0.485 20 0 DBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573915680 1026662977 /nfs/dbraw/zinc/66/29/77/1026662977.db2.gz XQOPHRCKSFWJCX-AEJSXWLSSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)c1cc(C(=O)[O-])no1 ZINC001573922010 1026664793 /nfs/dbraw/zinc/66/47/93/1026664793.db2.gz YOERPWNRSVFGMW-UHFFFAOYSA-N -1 0 313.266 -0.828 20 0 DBADRM COC(=O)NCCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001573926444 1026665134 /nfs/dbraw/zinc/66/51/34/1026665134.db2.gz YSEYKKDPOKELNK-MNOVXSKESA-N -1 0 311.294 -0.570 20 0 DBADRM CC(C)(O)C(C)(C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001573923426 1026665610 /nfs/dbraw/zinc/66/56/10/1026665610.db2.gz RDCRXOXPGBBBMA-UHFFFAOYSA-N -1 0 323.361 -0.693 20 0 DBADRM COC(=O)CCN(C[C@H]1CCCO1)C(=O)[C@@H](O)CC(=O)[O-] ZINC001573921823 1026665805 /nfs/dbraw/zinc/66/58/05/1026665805.db2.gz PQOIPKHVXBLWQU-ZJUUUORDSA-N -1 0 303.311 -0.607 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C(C)(C)C ZINC001573928356 1026666930 /nfs/dbraw/zinc/66/69/30/1026666930.db2.gz WSXWYPLRHJHBJP-SSDOTTSWSA-N -1 0 319.339 -0.026 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573934937 1026667006 /nfs/dbraw/zinc/66/70/06/1026667006.db2.gz HHBKOQCLUHFBEA-RNFRBKRXSA-N -1 0 317.323 -0.496 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1ccnc2c(C(=O)[O-])cnn21 ZINC001573934862 1026667177 /nfs/dbraw/zinc/66/71/77/1026667177.db2.gz DMTUPUUPJFZALA-HTQZYQBOSA-N -1 0 318.289 -0.034 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)N1C[C@H](C(=O)[O-])C2(COC2)C1 ZINC001573934881 1026667364 /nfs/dbraw/zinc/66/73/64/1026667364.db2.gz FNMLHVACDJPJDY-OPRDCNLKSA-N -1 0 312.322 -0.462 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001573929355 1026667391 /nfs/dbraw/zinc/66/73/91/1026667391.db2.gz YNVBCGYGWWQFEH-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM COC(=O)[C@@H]1C[C@H](NS(=O)(=O)CCCC(=O)[O-])[C@H]2C[C@H]21 ZINC001573935148 1026667669 /nfs/dbraw/zinc/66/76/69/1026667669.db2.gz NIODGDQAPLGXLE-RGOKHQFPSA-N -1 0 305.352 -0.032 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573934803 1026667560 /nfs/dbraw/zinc/66/75/60/1026667560.db2.gz CNJJTJJCUHLKPN-XSPKLOCKSA-N -1 0 300.311 -0.720 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001573931496 1026667969 /nfs/dbraw/zinc/66/79/69/1026667969.db2.gz XLFLQOKKGAQNCC-UTLUCORTSA-N -1 0 320.367 -0.289 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(C(=O)[O-])cnc1C ZINC001573935289 1026668923 /nfs/dbraw/zinc/66/89/23/1026668923.db2.gz PIFAWJBKYFORGF-KOLCDFICSA-N -1 0 308.290 -0.163 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001573935705 1026669623 /nfs/dbraw/zinc/66/96/23/1026669623.db2.gz YYYLFEKQEIIYAG-LNFKQOIKSA-N -1 0 308.290 -0.507 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)n[nH]1 ZINC001573938370 1026670416 /nfs/dbraw/zinc/67/04/16/1026670416.db2.gz MJCCNULQJVJSEV-LURJTMIESA-N -1 0 303.296 -0.709 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001573941757 1026670906 /nfs/dbraw/zinc/67/09/06/1026670906.db2.gz JSWGQGFQIBSJTE-QMMMGPOBSA-N -1 0 319.291 -0.460 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CCO[C@@](C)(C(=O)[O-])C2)cn1 ZINC001573941417 1026672086 /nfs/dbraw/zinc/67/20/86/1026672086.db2.gz FTUUVRFTWOAQKC-CYBMUJFWSA-N -1 0 309.278 -0.421 20 0 DBADRM COC[C@H](CS(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)OC ZINC001573967977 1026678614 /nfs/dbraw/zinc/67/86/14/1026678614.db2.gz ADJXOSSEDCAHOB-CHWFTXMASA-N -1 0 307.368 -0.370 20 0 DBADRM COC(=O)c1cnc(CCNC(=O)[C@@H](O)CC(=O)[O-])s1 ZINC001573941395 1026672416 /nfs/dbraw/zinc/67/24/16/1026672416.db2.gz FPWILZVAFBCJHB-LURJTMIESA-N -1 0 302.308 -0.576 20 0 DBADRM CO[C@H](CNC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO)C(C)C ZINC001573948640 1026674228 /nfs/dbraw/zinc/67/42/28/1026674228.db2.gz KKJVSFDGPKJXNG-HBNTYKKESA-N -1 0 303.359 -0.073 20 0 DBADRM CO[C@@]1(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001573949035 1026674329 /nfs/dbraw/zinc/67/43/29/1026674329.db2.gz MHRQURICGWCAEM-SKDRFNHKSA-N -1 0 320.367 -0.551 20 0 DBADRM CN(C)C(=O)[C@H]1CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001573982616 1026684468 /nfs/dbraw/zinc/68/44/68/1026684468.db2.gz CVTGXOLXNSKSHS-JTQLQIEISA-N -1 0 306.384 -0.714 20 0 DBADRM COCC(=O)NCCC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001573967363 1026678884 /nfs/dbraw/zinc/67/88/84/1026678884.db2.gz UKMKGOLNKMTUKQ-LLVKDONJSA-N -1 0 309.322 -0.654 20 0 DBADRM COC[C@@H](CCNC(=O)Nc1ncn(CC(=O)[O-])n1)OC ZINC001573969726 1026679226 /nfs/dbraw/zinc/67/92/26/1026679226.db2.gz YBWOBCILAPIMGW-MRVPVSSYSA-N -1 0 301.303 -0.464 20 0 DBADRM COCC(=O)NCCC(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC001573967639 1026679241 /nfs/dbraw/zinc/67/92/41/1026679241.db2.gz YZDRANUIVJHBPU-ZDUSSCGKSA-N -1 0 302.327 -0.863 20 0 DBADRM COCC(=O)NCCC(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC001573967636 1026679883 /nfs/dbraw/zinc/67/98/83/1026679883.db2.gz YZDRANUIVJHBPU-CYBMUJFWSA-N -1 0 302.327 -0.863 20 0 DBADRM COC[C@H](C(=O)[O-])N(C(=O)CCCS(C)(=O)=O)C1CC1 ZINC001573967234 1026679851 /nfs/dbraw/zinc/67/98/51/1026679851.db2.gz RXRYBUYTDIUVAD-SNVBAGLBSA-N -1 0 307.368 -0.098 20 0 DBADRM COCC(COC)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001573968766 1026680005 /nfs/dbraw/zinc/68/00/05/1026680005.db2.gz LNIHJAQUONJRHT-VXGBXAGGSA-N -1 0 300.355 -0.487 20 0 DBADRM COC[C@]1(CO)CCN(C(=O)Nc2ncc(C(=O)[O-])n2C)C1 ZINC001573973394 1026680926 /nfs/dbraw/zinc/68/09/26/1026680926.db2.gz DIWUPLVFAYORJN-CYBMUJFWSA-N -1 0 312.326 -0.019 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@@H](C)c1nc(C(=O)[O-])n[nH]1 ZINC001573975099 1026681490 /nfs/dbraw/zinc/68/14/90/1026681490.db2.gz NOZASURXMIZTIM-BQBZGAKWSA-N -1 0 306.344 -0.092 20 0 DBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1cc(C(=O)[O-])no1 ZINC001573992175 1026687367 /nfs/dbraw/zinc/68/73/67/1026687367.db2.gz HYTPAUDVAQOKQY-DTWKUNHWSA-N -1 0 306.296 -0.794 20 0 DBADRM COCC1(S(=O)(=O)N2C[C@@H](C(=O)[O-])C3(COC3)C2)CCC1 ZINC001573974632 1026682084 /nfs/dbraw/zinc/68/20/84/1026682084.db2.gz LOAFMQPUJBVEQS-JTQLQIEISA-N -1 0 319.379 -0.082 20 0 DBADRM CN(C)C(=O)CN1CCCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC001573982937 1026683564 /nfs/dbraw/zinc/68/35/64/1026683564.db2.gz IUXRYWMPFPHZKW-CYBMUJFWSA-N -1 0 311.382 -0.280 20 0 DBADRM CN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC001573979412 1026683942 /nfs/dbraw/zinc/68/39/42/1026683942.db2.gz DQKUDTMTSSAHLF-KXUCPTDWSA-N -1 0 311.338 -0.968 20 0 DBADRM COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)CC(=O)[O-] ZINC001573986228 1026685538 /nfs/dbraw/zinc/68/55/38/1026685538.db2.gz UYYHOYXIWNJTAA-BDAKNGLRSA-N -1 0 320.342 -0.522 20 0 DBADRM COC[C@H](NC(=O)c1cc(C)nc2c1c(=O)[nH]n2C)C(=O)[O-] ZINC001573991554 1026685577 /nfs/dbraw/zinc/68/55/77/1026685577.db2.gz YHAHDIYLBSDCTM-QMMMGPOBSA-N -1 0 308.294 -0.188 20 0 DBADRM COC[C@H](NS(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1)C(=O)[O-] ZINC001573990914 1026686143 /nfs/dbraw/zinc/68/61/43/1026686143.db2.gz NMCREJPWYXEYSQ-GARJFASQSA-N -1 0 307.368 -0.037 20 0 DBADRM COC[C@H](NC(=O)c1ccc2c(c1)nc(CO)n2C)C(=O)[O-] ZINC001573990280 1026686257 /nfs/dbraw/zinc/68/62/57/1026686257.db2.gz BTJSNEFMKGSBHD-JTQLQIEISA-N -1 0 307.306 -0.105 20 0 DBADRM COC[C@H](NS(=O)(=O)Cc1cc(OC)ns1)C(=O)[O-] ZINC001573990261 1026686514 /nfs/dbraw/zinc/68/65/14/1026686514.db2.gz AZORAVATUUMLLK-ZETCQYMHSA-N -1 0 310.353 -0.329 20 0 DBADRM COC[C@H](NS(=O)(=O)C[C@H]1CC2(CCC2)CO1)C(=O)[O-] ZINC001573990898 1026686527 /nfs/dbraw/zinc/68/65/27/1026686527.db2.gz NLGLZGHKSFVFAM-ZJUUUORDSA-N -1 0 307.368 -0.035 20 0 DBADRM CN(CC(=O)Nc1n[nH]cc1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001573998259 1026688611 /nfs/dbraw/zinc/68/86/11/1026688611.db2.gz URMSLLUPDSCKOD-ZETCQYMHSA-N -1 0 316.339 -0.835 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001574030231 1026690127 /nfs/dbraw/zinc/69/01/27/1026690127.db2.gz NQADOEIAKMCHDF-UHFFFAOYSA-N -1 0 309.326 -0.998 20 0 DBADRM CN1C(=O)COc2cccc(NC(=O)NC[C@](C)(O)C(=O)[O-])c21 ZINC001574022621 1026690604 /nfs/dbraw/zinc/69/06/04/1026690604.db2.gz OCMVBZZCDTXULE-AWEZNQCLSA-N -1 0 323.305 -0.001 20 0 DBADRM COc1cc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)n(C)n1 ZINC001574025850 1026690643 /nfs/dbraw/zinc/69/06/43/1026690643.db2.gz CIUWFAHVZULELU-HTQZYQBOSA-N -1 0 313.314 -0.479 20 0 DBADRM CN(Cc1nccn1C)C(=O)NCCOCCOCC(=O)[O-] ZINC001574022988 1026690689 /nfs/dbraw/zinc/69/06/89/1026690689.db2.gz RWWVERFHLCYTRM-UHFFFAOYSA-N -1 0 314.342 -0.321 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)c1cnnn1C)C[C@H]2C(=O)[O-] ZINC001574046162 1026693265 /nfs/dbraw/zinc/69/32/65/1026693265.db2.gz AZAQBJLEXVGNOK-PUUHTONNSA-N -1 0 322.321 -0.459 20 0 DBADRM COC(=O)C1=CC[C@@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001574045660 1026693501 /nfs/dbraw/zinc/69/35/01/1026693501.db2.gz IVVRGYQSDXYLGA-ZJUUUORDSA-N -1 0 318.351 -0.368 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001574038605 1026693795 /nfs/dbraw/zinc/69/37/95/1026693795.db2.gz GMISIWLQLPNWEK-XHDPSFHLSA-N -1 0 320.349 -0.006 20 0 DBADRM COC(=O)[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1ccc(O)cc1 ZINC001574048489 1026694291 /nfs/dbraw/zinc/69/42/91/1026694291.db2.gz YDPVGGHHJGTUGD-WDEREUQCSA-N -1 0 322.273 -0.048 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001574046942 1026694352 /nfs/dbraw/zinc/69/43/52/1026694352.db2.gz RAGGQAOWYYLVSE-JEZHCXPESA-N -1 0 314.294 -0.605 20 0 DBADRM COc1nnccc1NC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001574054297 1026694356 /nfs/dbraw/zinc/69/43/56/1026694356.db2.gz LQWVBJGGEVZPOO-CBAPKCEASA-N -1 0 311.298 -0.423 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)NC(C)(C)CC(=O)[O-])C1=O ZINC001574046660 1026695059 /nfs/dbraw/zinc/69/50/59/1026695059.db2.gz FDDBNNKLESAYDB-SECBINFHSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)[C@@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1ccc(O)cc1 ZINC001574048481 1026695116 /nfs/dbraw/zinc/69/51/16/1026695116.db2.gz YDPVGGHHJGTUGD-MNOVXSKESA-N -1 0 322.273 -0.048 20 0 DBADRM COc1cncn(CC(=O)NC2CCN(C(=O)[O-])CC2)c1=O ZINC001574054663 1026695190 /nfs/dbraw/zinc/69/51/90/1026695190.db2.gz OCIASUQVUXNOEY-UHFFFAOYSA-N -1 0 310.310 -0.490 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)COCc1ncc(C)o1 ZINC001574056524 1026696353 /nfs/dbraw/zinc/69/63/53/1026696353.db2.gz PTHGMXWFTFLCON-UHFFFAOYSA-N -1 0 314.294 -0.024 20 0 DBADRM COc1nn(C)cc1C(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccncc1 ZINC001574055145 1026696363 /nfs/dbraw/zinc/69/63/63/1026696363.db2.gz RQDTVQRZRSEPLA-WDEREUQCSA-N -1 0 320.305 -0.260 20 0 DBADRM COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC001574056327 1026696748 /nfs/dbraw/zinc/69/67/48/1026696748.db2.gz ROAVKEOKWILCGQ-SNVBAGLBSA-N -1 0 321.289 -0.764 20 0 DBADRM COc1nccc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001574055674 1026696813 /nfs/dbraw/zinc/69/68/13/1026696813.db2.gz VEGLJSBRVQNRRW-HTQZYQBOSA-N -1 0 311.298 -0.423 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 ZINC001574059721 1026697970 /nfs/dbraw/zinc/69/79/70/1026697970.db2.gz QEOJGPBBDKUOTA-BTKVJGODSA-N -1 0 316.379 -0.521 20 0 DBADRM CS(=O)(=O)c1cccc(CNC(=O)[C@H](O)CC(=O)[O-])c1 ZINC001574059719 1026697987 /nfs/dbraw/zinc/69/79/87/1026697987.db2.gz QEMXLCLEQUKOOD-SNVBAGLBSA-N -1 0 301.320 -0.458 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC001574059070 1026698406 /nfs/dbraw/zinc/69/84/06/1026698406.db2.gz BUGCUEGGSBPYPS-JLTPVHFHSA-N -1 0 316.379 -0.663 20 0 DBADRM COC(=O)CC[C@H](NC(=O)C12CC(C(=O)OC)(C1)C2)C(=O)[O-] ZINC001574062525 1026699930 /nfs/dbraw/zinc/69/99/30/1026699930.db2.gz BEGVMQHKRCWTJZ-AHOQVSSZSA-N -1 0 313.306 -0.148 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CN(C)C(=O)C1CC1)C(=O)[O-] ZINC001574063695 1026700566 /nfs/dbraw/zinc/70/05/66/1026700566.db2.gz XQVFWROLOKJSGE-VIFPVBQESA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CCCCNC(N)=O)C(=O)[O-] ZINC001574062910 1026700689 /nfs/dbraw/zinc/70/06/89/1026700689.db2.gz HFJFATONPLXUAG-QMMMGPOBSA-N -1 0 303.315 -0.652 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC001574059894 1026700762 /nfs/dbraw/zinc/70/07/62/1026700762.db2.gz SEUFCIJKIQQLIB-SECBINFHSA-N -1 0 313.335 0.000 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574075380 1026701221 /nfs/dbraw/zinc/70/12/21/1026701221.db2.gz IWDFFNZLAOYUCI-DTWKUNHWSA-N -1 0 315.326 -0.687 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC001574104391 1026705345 /nfs/dbraw/zinc/70/53/45/1026705345.db2.gz FCKKKTJZWQDREC-CSMHCCOUSA-N -1 0 308.381 -0.411 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)NCc1[nH]cnc1C(=O)[O-] ZINC001574096199 1026702702 /nfs/dbraw/zinc/70/27/02/1026702702.db2.gz BCMLXCYVMKOZGL-LURJTMIESA-N -1 0 315.355 -0.486 20 0 DBADRM CSC[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001574097250 1026703215 /nfs/dbraw/zinc/70/32/15/1026703215.db2.gz ZJIRSGJZVNKFFF-LURJTMIESA-N -1 0 308.337 -0.527 20 0 DBADRM COC(=O)c1ccc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)cn1 ZINC001574087396 1026703435 /nfs/dbraw/zinc/70/34/35/1026703435.db2.gz PXRFHYYKXAIAOZ-SNVBAGLBSA-N -1 0 307.262 -0.286 20 0 DBADRM CSC[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC001574096833 1026703482 /nfs/dbraw/zinc/70/34/82/1026703482.db2.gz RGCRMMBDRMFPHX-SSDOTTSWSA-N -1 0 321.380 -0.782 20 0 DBADRM CSC[C@H](NC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC001574096463 1026703490 /nfs/dbraw/zinc/70/34/90/1026703490.db2.gz OAVLEMKFUAAGIL-ZETCQYMHSA-N -1 0 319.364 -0.725 20 0 DBADRM CSC[C@H](NS(=O)(=O)CCN1CCOC1=O)C(=O)[O-] ZINC001574096337 1026703749 /nfs/dbraw/zinc/70/37/49/1026703749.db2.gz HTACEYWKLBEMDJ-ZETCQYMHSA-N -1 0 312.369 -0.826 20 0 DBADRM C[S@@](=O)CCN1CCN(Cc2nc(C(=O)[O-])no2)CC1 ZINC001574097733 1026704903 /nfs/dbraw/zinc/70/49/03/1026704903.db2.gz RYFAPOQQKUCSBZ-HXUWFJFHSA-N -1 0 302.356 -0.736 20 0 DBADRM C[C@H](Cc1cn(C)nn1)NS(=O)(=O)C1(CC(=O)[O-])CC1 ZINC001574104133 1026705409 /nfs/dbraw/zinc/70/54/09/1026705409.db2.gz GIXYSVPMSKVNNV-MRVPVSSYSA-N -1 0 302.356 -0.327 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(C(=O)[O-])CC1 ZINC001574104349 1026705916 /nfs/dbraw/zinc/70/59/16/1026705916.db2.gz BXZMAEDKTOCGLZ-BDAKNGLRSA-N -1 0 305.356 -0.575 20 0 DBADRM C[C@H](NC(N)=O)C(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC001574108433 1026706412 /nfs/dbraw/zinc/70/64/12/1026706412.db2.gz YZQLEUCPZSDKLB-QMMMGPOBSA-N -1 0 309.326 -0.198 20 0 DBADRM Cc1[nH]c(C(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1C(=O)[O-] ZINC001574111133 1026707143 /nfs/dbraw/zinc/70/71/43/1026707143.db2.gz CJEOXFHNJLZDKF-ZETCQYMHSA-N -1 0 301.324 -0.476 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC001574106230 1026707297 /nfs/dbraw/zinc/70/72/97/1026707297.db2.gz UUHJHKUCWNZZMU-SNVBAGLBSA-N -1 0 306.278 -0.391 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC(S(N)(=O)=O)C1 ZINC001574110509 1026707411 /nfs/dbraw/zinc/70/74/11/1026707411.db2.gz HXBHDIGMKVPFJL-UHFFFAOYSA-N -1 0 301.324 -0.557 20 0 DBADRM Cc1[nH]c(C(=O)N2CCC(S(N)(=O)=O)CC2)cc1C(=O)[O-] ZINC001574113363 1026707899 /nfs/dbraw/zinc/70/78/99/1026707899.db2.gz OLSWBWWMYGFHSK-UHFFFAOYSA-N -1 0 315.351 -0.086 20 0 DBADRM Cc1[nH]c(C(=O)NCC2(S(N)(=O)=O)CCC2)cc1C(=O)[O-] ZINC001574112390 1026708036 /nfs/dbraw/zinc/70/80/36/1026708036.db2.gz ZNKJHTKVKSUTOE-UHFFFAOYSA-N -1 0 315.351 -0.038 20 0 DBADRM Cc1c(C(=O)N2CCN(C(=O)[O-])CC2)nnn1-c1cnn(C)c1 ZINC001574113960 1026708186 /nfs/dbraw/zinc/70/81/86/1026708186.db2.gz REARPUISZAWDLX-UHFFFAOYSA-N -1 0 319.325 -0.255 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](CO)c1nncn1C ZINC001574110408 1026708291 /nfs/dbraw/zinc/70/82/91/1026708291.db2.gz CVVCFJWBTDKMOD-QMMMGPOBSA-N -1 0 307.310 -0.078 20 0 DBADRM Cc1c(CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)cnn1C ZINC001574121142 1026709251 /nfs/dbraw/zinc/70/92/51/1026709251.db2.gz JXAYQUVKZUWLID-GHMZBOCLSA-N -1 0 311.342 -0.502 20 0 DBADRM Cc1c(C(=O)[O-])n[nH]c1NC(=O)CCS(=O)(=O)N(C)C ZINC001574118132 1026709420 /nfs/dbraw/zinc/70/94/20/1026709420.db2.gz FOWVFQCVMBSCHN-UHFFFAOYSA-N -1 0 304.328 -0.364 20 0 DBADRM Cc1c(NC(=O)CCC(=O)N2CCOCC2)[nH]nc1C(=O)[O-] ZINC001574120154 1026709629 /nfs/dbraw/zinc/70/96/29/1026709629.db2.gz UHJCOCSCNYLVQQ-UHFFFAOYSA-N -1 0 310.310 -0.006 20 0 DBADRM Cc1[nH]c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC001574114420 1026709668 /nfs/dbraw/zinc/70/96/68/1026709668.db2.gz YCEFQUGFBXVSPQ-MRVPVSSYSA-N -1 0 315.351 -0.215 20 0 DBADRM Cc1c(C(=O)[O-])n[nH]c1NC(=O)C1=NN(CCO)C(=O)CC1 ZINC001574119497 1026709978 /nfs/dbraw/zinc/70/99/78/1026709978.db2.gz CDRRMZXSZDTINQ-UHFFFAOYSA-N -1 0 309.282 -0.674 20 0 DBADRM COC[C@](C)(NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)C(=O)OC ZINC001574120713 1026710345 /nfs/dbraw/zinc/71/03/45/1026710345.db2.gz ZDIIUDKKYFNNOC-RULNRJAQSA-N -1 0 317.338 -0.049 20 0 DBADRM Cc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c(C)n1NC(N)=O ZINC001574127861 1026710687 /nfs/dbraw/zinc/71/06/87/1026710687.db2.gz OCTJHSMFHBKCPO-JTQLQIEISA-N -1 0 310.310 -0.347 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)N1C[C@H](C(=O)[O-])C2(COC2)C1 ZINC001574127985 1026711045 /nfs/dbraw/zinc/71/10/45/1026711045.db2.gz QLVMQIBJPGDNIN-SECBINFHSA-N -1 0 321.333 -0.476 20 0 DBADRM Cc1cc(COCC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)no1 ZINC001574134522 1026711247 /nfs/dbraw/zinc/71/12/47/1026711247.db2.gz LWZRKZFMQGCELY-KOLCDFICSA-N -1 0 313.310 -0.413 20 0 DBADRM Cc1cc(=O)[nH]c(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001574126542 1026711329 /nfs/dbraw/zinc/71/13/29/1026711329.db2.gz BGDOPGPHFLUVJJ-NXEZZACHSA-N -1 0 306.322 -0.140 20 0 DBADRM Cc1cc(C)c(C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])c(=O)o1 ZINC001574129449 1026711450 /nfs/dbraw/zinc/71/14/50/1026711450.db2.gz PQRICZHONIVKNQ-BDAKNGLRSA-N -1 0 310.306 -0.036 20 0 DBADRM Cc1cc(CS(=O)(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)no1 ZINC001574137693 1026712574 /nfs/dbraw/zinc/71/25/74/1026712574.db2.gz XRZXYLNIEVPQBK-PSASIEDQSA-N -1 0 319.339 -0.627 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N[C@H](C)c1nc(C(=O)[O-])n[nH]1 ZINC001574144726 1026713169 /nfs/dbraw/zinc/71/31/69/1026713169.db2.gz RPYLIDBISRZKGW-SSDOTTSWSA-N -1 0 321.293 -0.444 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(Cc2nc(CO)cs2)CCO1 ZINC001574144594 1026713369 /nfs/dbraw/zinc/71/33/69/1026713369.db2.gz AEIHENHTDRJKOL-LBPRGKRZSA-N -1 0 302.352 -0.063 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)N[C@@]2(C)CCOC2=O)CCO1 ZINC001574141869 1026713729 /nfs/dbraw/zinc/71/37/29/1026713729.db2.gz QDNQGZGFDOJNNV-QWHCGFSZSA-N -1 0 316.310 -0.796 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(N)nc2)C1 ZINC001574142462 1026713746 /nfs/dbraw/zinc/71/37/46/1026713746.db2.gz WGVRBTQABGWNIQ-NSHDSACASA-N -1 0 316.339 -0.829 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCC[C@H]1CNC(=O)C1 ZINC001574157079 1026714984 /nfs/dbraw/zinc/71/49/84/1026714984.db2.gz HEIGJQJCKCMLFU-SNVBAGLBSA-N -1 0 301.343 -0.355 20 0 DBADRM COC[C@]1(C(=O)[O-])CN([C@H](C)C(=O)Nc2ncccn2)CCO1 ZINC001574147214 1026715543 /nfs/dbraw/zinc/71/55/43/1026715543.db2.gz SBFRYUMDGUALTL-YGRLFVJLSA-N -1 0 324.337 -0.394 20 0 DBADRM COC[C@]1(C(=O)[O-])CN([C@@H](C)C(=O)Nc2ncccn2)CCO1 ZINC001574147211 1026716319 /nfs/dbraw/zinc/71/63/19/1026716319.db2.gz SBFRYUMDGUALTL-HZMBPMFUSA-N -1 0 324.337 -0.394 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cc(C(N)=O)c[nH]2)CCO1 ZINC001574147638 1026716511 /nfs/dbraw/zinc/71/65/11/1026716511.db2.gz YRBOHAOEXDLAND-CYBMUJFWSA-N -1 0 311.294 -0.944 20 0 DBADRM Cc1cnn(CC(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccncc2)c1 ZINC001574179376 1026717242 /nfs/dbraw/zinc/71/72/42/1026717242.db2.gz IGNUKJDEOJXOIV-CHWSQXEVSA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1ccnn1CC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001574173749 1026717287 /nfs/dbraw/zinc/71/72/87/1026717287.db2.gz ZBGZYSSUBDCDNO-CHWSQXEVSA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1cnc(COCC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)o1 ZINC001574172543 1026717940 /nfs/dbraw/zinc/71/79/40/1026717940.db2.gz GCRJZPAOADWBFB-VHSXEESVSA-N -1 0 313.310 -0.413 20 0 DBADRM Cc1cnn(CC(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccncc2)c1 ZINC001574179379 1026718488 /nfs/dbraw/zinc/71/84/88/1026718488.db2.gz IGNUKJDEOJXOIV-STQMWFEESA-N -1 0 304.306 -0.110 20 0 DBADRM CON(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)[C@@H](C)C(=O)[O-] ZINC001574170898 1026718554 /nfs/dbraw/zinc/71/85/54/1026718554.db2.gz RLMPNNRAIZFBSG-JGVFFNPUSA-N -1 0 306.315 -0.265 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H](C)Cn2ccnc2)c1C(=O)[O-] ZINC001574182579 1026719140 /nfs/dbraw/zinc/71/91/40/1026719140.db2.gz PAUXARHUDOOQGJ-SSDOTTSWSA-N -1 0 313.339 -0.020 20 0 DBADRM Cc1nc(CNS(=O)(=O)CCC(=O)[O-])sc1C(N)=O ZINC001574187240 1026720087 /nfs/dbraw/zinc/72/00/87/1026720087.db2.gz DQJKZWFVFAVRGU-UHFFFAOYSA-N -1 0 307.353 -0.555 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1C(=O)[O-] ZINC001574183130 1026720038 /nfs/dbraw/zinc/72/00/38/1026720038.db2.gz XFTRGCZCDMPLHA-KUIGQIJESA-N -1 0 313.335 -0.130 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H]2C(=O)OCC2(C)C)c1C(=O)[O-] ZINC001574183136 1026721006 /nfs/dbraw/zinc/72/10/06/1026721006.db2.gz XPZBCBGSHOEFPV-ZETCQYMHSA-N -1 0 317.323 -0.354 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)N(CC(N)=O)CC(=O)[O-] ZINC001574197880 1026721521 /nfs/dbraw/zinc/72/15/21/1026721521.db2.gz GYKBYDDVVPRPDR-UHFFFAOYSA-N -1 0 321.380 -0.804 20 0 DBADRM Cc1nnc2ccc(C(=O)N[C@@H]3CN(C(=O)[O-])C[C@@H]3CO)cn12 ZINC001574197424 1026721796 /nfs/dbraw/zinc/72/17/96/1026721796.db2.gz JBBGLUYZTXYDAO-GHMZBOCLSA-N -1 0 319.321 -0.262 20 0 DBADRM Cc1nc(CCC(=O)[O-])cc(N2CC[C@H]3OCC(=O)N[C@@H]3C2)n1 ZINC001574188774 1026722087 /nfs/dbraw/zinc/72/20/87/1026722087.db2.gz WXWNUMOCZIEXCH-VXGBXAGGSA-N -1 0 320.349 -0.104 20 0 DBADRM Cc1ncc(C(=O)[O-])cc1NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC001574192589 1026722360 /nfs/dbraw/zinc/72/23/60/1026722360.db2.gz UGYAQXDFPHMKNJ-SNVBAGLBSA-N -1 0 320.309 -0.138 20 0 DBADRM Cc1ncc(C(=O)[O-])cc1C(=O)N1CCOC[C@@H]1CC(N)=O ZINC001574193240 1026722641 /nfs/dbraw/zinc/72/26/41/1026722641.db2.gz SHWOJSIMWNUVDC-JTQLQIEISA-N -1 0 307.306 -0.195 20 0 DBADRM Cc1ncc(C(=O)[O-])cc1C(=O)NCC1(S(N)(=O)=O)CC1 ZINC001574192635 1026722826 /nfs/dbraw/zinc/72/28/26/1026722826.db2.gz NPMHQCOSLZOZLT-UHFFFAOYSA-N -1 0 313.335 -0.361 20 0 DBADRM Cc1nc(NC2CC(NS(C)(=O)=O)C2)cc(C(=O)[O-])n1 ZINC001574188155 1026723174 /nfs/dbraw/zinc/72/31/74/1026723174.db2.gz OHPSAJNGVQEMGE-UHFFFAOYSA-N -1 0 300.340 -0.025 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N[C@@H](C)c1nc(C(=O)[O-])n[nH]1)CC2 ZINC001574198715 1026723657 /nfs/dbraw/zinc/72/36/57/1026723657.db2.gz UQDQJLCAVUPRCR-POYBYMJQSA-N -1 0 319.325 -0.157 20 0 DBADRM Cc1nn(CC(F)F)cc1C(=O)N(CC(N)=O)CC(=O)[O-] ZINC001574201351 1026723776 /nfs/dbraw/zinc/72/37/76/1026723776.db2.gz YGXZXTZBBNDFJL-UHFFFAOYSA-N -1 0 304.253 -0.531 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001574205007 1026724001 /nfs/dbraw/zinc/72/40/01/1026724001.db2.gz HWIPHFANSBYBKC-QMMMGPOBSA-N -1 0 318.307 -0.839 20 0 DBADRM Cc1nocc1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001574205396 1026724551 /nfs/dbraw/zinc/72/45/51/1026724551.db2.gz INZPHWKTAWCEEX-RQJHMYQMSA-N -1 0 305.312 -0.761 20 0 DBADRM Cc1nnc(N2CCC[C@@H](NC(=O)[O-])C2)n1Cc1cnnn1C ZINC001574200794 1026725099 /nfs/dbraw/zinc/72/50/99/1026725099.db2.gz PQQBIVMVIJZLJP-SNVBAGLBSA-N -1 0 320.357 0.000 20 0 DBADRM Cn1cc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)[nH]c1=O ZINC001574211313 1026726600 /nfs/dbraw/zinc/72/66/00/1026726600.db2.gz FRGAJONSVZCZRR-NXEZZACHSA-N -1 0 306.278 -0.563 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC001574208404 1026727350 /nfs/dbraw/zinc/72/73/50/1026727350.db2.gz DVGDDHFCSOEBFY-ZCFIWIBFSA-N -1 0 317.327 -0.987 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)Nc3c[nH]c(C(=O)[O-])n3)C2)cn1 ZINC001574212787 1026728247 /nfs/dbraw/zinc/72/82/47/1026728247.db2.gz QWYWKEBPSPPGRC-QMMMGPOBSA-N -1 0 304.266 -0.027 20 0 DBADRM Cn1cc(C(N)=O)c(NC(=O)CC2(C(=O)[O-])CCOCC2)n1 ZINC001574213074 1026728880 /nfs/dbraw/zinc/72/88/80/1026728880.db2.gz VHTDYEUKMZQXPK-UHFFFAOYSA-N -1 0 310.310 -0.271 20 0 DBADRM Cn1cc(NC(=O)N2CCS(=O)(=O)CCO2)cc1C(=O)[O-] ZINC001574212946 1026729273 /nfs/dbraw/zinc/72/92/73/1026729273.db2.gz BGFZILBBHFWYNO-UHFFFAOYSA-N -1 0 317.323 -0.083 20 0 DBADRM Cn1ncc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1-n1cnnc1 ZINC001574226247 1026730850 /nfs/dbraw/zinc/73/08/50/1026730850.db2.gz AAYXNBMNSKIGMN-SECBINFHSA-N -1 0 304.310 -0.062 20 0 DBADRM Cn1ccn2c(CNC(=O)N3CC[C@H](C(=O)[O-])C3)nnc2c1=O ZINC001574224106 1026730986 /nfs/dbraw/zinc/73/09/86/1026730986.db2.gz CJUYOVFNWIKUNN-QMMMGPOBSA-N -1 0 320.309 -0.956 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)cc1C(=O)[O-] ZINC001574220249 1026731398 /nfs/dbraw/zinc/73/13/98/1026731398.db2.gz KWRVNCWVXUKKOT-CBAPKCEASA-N -1 0 314.319 -0.483 20 0 DBADRM Cn1cnnc1CN1CCC(C(=O)[O-])(S(C)(=O)=O)CC1 ZINC001574221767 1026731656 /nfs/dbraw/zinc/73/16/56/1026731656.db2.gz YOYBGYOQHCSKPK-UHFFFAOYSA-N -1 0 302.356 -0.721 20 0 DBADRM Cn1ccc(CCNC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001574225002 1026731734 /nfs/dbraw/zinc/73/17/34/1026731734.db2.gz VCQWPEWWHIIWTP-ONGXEEELSA-N -1 0 311.342 -0.768 20 0 DBADRM Cn1ncc(CCC(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccncc2)n1 ZINC001574226476 1026732272 /nfs/dbraw/zinc/73/22/72/1026732272.db2.gz HMZRVIDFSKAKKF-QWHCGFSZSA-N -1 0 319.321 -0.554 20 0 DBADRM CC(C)COC1CN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001574228396 1026733029 /nfs/dbraw/zinc/73/30/29/1026733029.db2.gz KHEFDKFAEFMQNH-VIFPVBQESA-N -1 0 320.357 -0.097 20 0 DBADRM Cn1nnc2ccc(C(=O)N[C@@H]3CN(C(=O)[O-])C[C@@H]3CO)cc21 ZINC001574229293 1026733393 /nfs/dbraw/zinc/73/33/93/1026733393.db2.gz YQLJPHVTXGJSMD-MWLCHTKSSA-N -1 0 319.321 -0.331 20 0 DBADRM Cn1nccc1[C@@H](O)CNC(=O)NCc1cc(C(=O)[O-])no1 ZINC001574229251 1026733552 /nfs/dbraw/zinc/73/35/52/1026733552.db2.gz WYFVAHPWMBGZFX-JTQLQIEISA-N -1 0 309.282 -0.361 20 0 DBADRM Cn1ncc(CCC(=O)N2CCC[C@@H]2c2n[nH]nc2C(=O)[O-])n1 ZINC001574226888 1026733847 /nfs/dbraw/zinc/73/38/47/1026733847.db2.gz UASYONPFIXCCQN-SECBINFHSA-N -1 0 319.325 -0.072 20 0 DBADRM Cn1nnnc1C1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC001574229274 1026733919 /nfs/dbraw/zinc/73/39/19/1026733919.db2.gz YEDJXZGVPBRDQP-UHFFFAOYSA-N -1 0 317.371 -0.416 20 0 DBADRM Cn1ncc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1C(F)(F)F ZINC001574228698 1026734003 /nfs/dbraw/zinc/73/40/03/1026734003.db2.gz NNXFSBRNVCVSJF-SCSAIBSYSA-N -1 0 317.245 -0.837 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[C@H](c2n[nH]cc2C(=O)[O-])C1 ZINC001574248000 1026734518 /nfs/dbraw/zinc/73/45/18/1026734518.db2.gz HSAZVEJQNOJTME-YIZRAAEISA-N -1 0 306.322 -0.065 20 0 DBADRM COc1ccccc1[C@H](CO)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001574237437 1026735438 /nfs/dbraw/zinc/73/54/38/1026735438.db2.gz SSCVMJSFTHZRGO-NSHDSACASA-N -1 0 320.305 -0.165 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)N2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC001574248874 1026736808 /nfs/dbraw/zinc/73/68/08/1026736808.db2.gz MWCQPJZGQJPSBR-HTQZYQBOSA-N -1 0 313.314 -0.942 20 0 DBADRM NC(=O)C12CCC(CC1)N2C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC001574250215 1026740312 /nfs/dbraw/zinc/74/03/12/1026740312.db2.gz YWCLABRJIHOSBL-UHFFFAOYSA-N -1 0 308.298 -0.623 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)c1ccc([C@@H]2CCC(=O)N2)cc1 ZINC001574255198 1026740427 /nfs/dbraw/zinc/74/04/27/1026740427.db2.gz SLMBHBJEGDSFFV-NSHDSACASA-N -1 0 319.317 -0.350 20 0 DBADRM NC(=O)N1CCCN(C(=O)CC2(C(=O)[O-])CCOCC2)CC1 ZINC001574257270 1026741746 /nfs/dbraw/zinc/74/17/46/1026741746.db2.gz VDDWGTZDGBLAPG-UHFFFAOYSA-N -1 0 313.354 -0.129 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)[C@@H](O)CC(=O)[O-])C[C@H]1c1ccccc1 ZINC001574256993 1026741858 /nfs/dbraw/zinc/74/18/58/1026741858.db2.gz QLUKYPLXWRDXIA-TUAOUCFPSA-N -1 0 306.318 -0.451 20 0 DBADRM NC(=O)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])C3(COC3)C2)cn1 ZINC001574258886 1026741880 /nfs/dbraw/zinc/74/18/80/1026741880.db2.gz AIARZYBSRAWPTC-VIFPVBQESA-N -1 0 305.290 -0.646 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2CC([C@H](F)C(=O)[O-])C2)cn1 ZINC001574258968 1026741987 /nfs/dbraw/zinc/74/19/87/1026741987.db2.gz FLNRIWDBPSLQKF-JTQLQIEISA-N -1 0 310.285 -0.255 20 0 DBADRM NC(=O)c1cccc(C(=O)N2C[C@H](C(=O)[O-])C3(COC3)C2)n1 ZINC001574258897 1026743510 /nfs/dbraw/zinc/74/35/10/1026743510.db2.gz AUAMOAINELNTSF-MRVPVSSYSA-N -1 0 305.290 -0.646 20 0 DBADRM NC(=O)c1csc(CNC(=O)[C@H]2CSCN2C(=O)[O-])n1 ZINC001574260265 1026744086 /nfs/dbraw/zinc/74/40/86/1026744086.db2.gz YUYBMIBVEOAYQN-ZCFIWIBFSA-N -1 0 316.364 -0.089 20 0 DBADRM N=C1NC(=O)C(CC(=O)NC[C@@]2(C(=O)[O-])CCCOC2)S1 ZINC001574268767 1026745713 /nfs/dbraw/zinc/74/57/13/1026745713.db2.gz GMQQAZVYKCDUDJ-KRTXAFLBSA-N -1 0 315.351 -0.460 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC(O)(c2ncnn2C)CC1 ZINC001574280580 1026748736 /nfs/dbraw/zinc/74/87/36/1026748736.db2.gz MZKUMQODEJPGHJ-OTYXRUKQSA-N -1 0 308.338 -0.264 20 0 DBADRM Nc1nnc(CC(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])s1 ZINC001574291358 1026749845 /nfs/dbraw/zinc/74/98/45/1026749845.db2.gz GHTYHNWUXHQKQD-RNFRBKRXSA-N -1 0 300.340 -0.199 20 0 DBADRM O=C(CN1CCCS1(=O)=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001574299989 1026752257 /nfs/dbraw/zinc/75/22/57/1026752257.db2.gz ZMQNEEPGARLGKJ-UWVGGRQHSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)CC1CS(=O)(=O)C1 ZINC001574293355 1026753975 /nfs/dbraw/zinc/75/39/75/1026753975.db2.gz FPZSPILKJJISTO-NSHDSACASA-N -1 0 312.347 -0.372 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CNC(=O)N1CCCC1 ZINC001574300849 1026755722 /nfs/dbraw/zinc/75/57/22/1026755722.db2.gz YNKOBAHZSQCHKE-GFCCVEGCSA-N -1 0 320.349 -0.001 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cccn2nnnc12)[C@H]1CCCOC1 ZINC001574309109 1026756387 /nfs/dbraw/zinc/75/63/87/1026756387.db2.gz SOORCHQTDXCDIM-WPRPVWTQSA-N -1 0 305.294 -0.266 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H](CO)CN2CCOCC2)C1 ZINC001574309624 1026756729 /nfs/dbraw/zinc/75/67/29/1026756729.db2.gz BDNIHEZSHFGLRU-TUAOUCFPSA-N -1 0 300.355 -0.703 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1ccc2nnnn2c1 ZINC001574309491 1026757266 /nfs/dbraw/zinc/75/72/66/1026757266.db2.gz XBTIVJLVIQHGQS-UWVGGRQHSA-N -1 0 305.294 -0.124 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1cnncc1O)[C@H](O)c1cccnc1 ZINC001574309709 1026757367 /nfs/dbraw/zinc/75/73/67/1026757367.db2.gz ZJIAIFSYUZLZTP-GHMZBOCLSA-N -1 0 304.262 -0.506 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1cnncc1O)[C@H](O)c1ccncc1 ZINC001574309153 1026757497 /nfs/dbraw/zinc/75/74/97/1026757497.db2.gz UFWQZMQWPSOWIH-GHMZBOCLSA-N -1 0 304.262 -0.506 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cc2n(n1)CCO2)[C@@H](O)c1ccncc1 ZINC001574308886 1026757527 /nfs/dbraw/zinc/75/75/27/1026757527.db2.gz PYHJHSWXYPPPLJ-RYUDHWBXSA-N -1 0 318.289 -0.413 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cc2n(n1)CCO2)[C@H](O)c1ccncc1 ZINC001574308885 1026757944 /nfs/dbraw/zinc/75/79/44/1026757944.db2.gz PYHJHSWXYPPPLJ-NWDGAFQWSA-N -1 0 318.289 -0.413 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1cn(C2CC2)nn1)[C@@H](O)c1ccncc1 ZINC001574308092 1026757988 /nfs/dbraw/zinc/75/79/88/1026757988.db2.gz FUHMFCDFJMFCAZ-NEPJUHHUSA-N -1 0 317.305 -0.075 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC001574308670 1026758047 /nfs/dbraw/zinc/75/80/47/1026758047.db2.gz NQQCVVAAVNLPRY-NSHDSACASA-N -1 0 313.331 -0.202 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)c2nc3ncc(CCO)cn3n2)C1 ZINC001574313470 1026758604 /nfs/dbraw/zinc/75/86/04/1026758604.db2.gz CLQUSMJIODMTAS-VIFPVBQESA-N -1 0 320.309 -0.859 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2cnn3cccnc23)[C@@H](CO)C1 ZINC001574311717 1026758927 /nfs/dbraw/zinc/75/89/27/1026758927.db2.gz NVSHDUMJGJBTQD-SCZZXKLOSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2cn3cccnc3n2)C1 ZINC001574312155 1026759641 /nfs/dbraw/zinc/75/96/41/1026759641.db2.gz VHNJYHHGOLOAGU-DTWKUNHWSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1 ZINC001574311549 1026759657 /nfs/dbraw/zinc/75/96/57/1026759657.db2.gz KGWWVSDXOFHIKF-DCAQKATOSA-N -1 0 313.354 -0.032 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)C1 ZINC001574313864 1026759716 /nfs/dbraw/zinc/75/97/16/1026759716.db2.gz MXMNJHWWTIQHII-NFMCEHEJSA-N -1 0 310.306 -0.425 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001574311910 1026759976 /nfs/dbraw/zinc/75/99/76/1026759976.db2.gz QJJGDZPIVRHJMD-UBHAPETDSA-N -1 0 308.338 -0.399 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)NCCS(=O)(=O)NC2CC2)C1 ZINC001574323911 1026761240 /nfs/dbraw/zinc/76/12/40/1026761240.db2.gz RGAPNYCIIROEAO-JTQLQIEISA-N -1 0 317.367 -0.459 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)NCC[C@H]2CCCO2)C1 ZINC001574323971 1026761021 /nfs/dbraw/zinc/76/10/21/1026761021.db2.gz XPPYJAGSGAZOAX-AXFHLTTASA-N -1 0 301.343 -0.175 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)NCC2CCOCC2)C1 ZINC001574319207 1026761608 /nfs/dbraw/zinc/76/16/08/1026761608.db2.gz HSKSMHZSQIXTBW-WDEREUQCSA-N -1 0 301.343 -0.317 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)NCCc2cnccn2)[C@@H](CO)C1 ZINC001574323549 1026761783 /nfs/dbraw/zinc/76/17/83/1026761783.db2.gz FNIHTPWVJMJPCR-KOLCDFICSA-N -1 0 309.326 -0.711 20 0 DBADRM O=C([O-])N1CCC(C(=O)NCCn2ccc(=O)[nH]c2=O)CC1 ZINC001574323618 1026762005 /nfs/dbraw/zinc/76/20/05/1026762005.db2.gz JKYUURNXOWRLSK-UHFFFAOYSA-N -1 0 310.310 -0.545 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)Nc2cnc3nccn3c2)C1 ZINC001574345070 1026763291 /nfs/dbraw/zinc/76/32/91/1026763291.db2.gz DPHWJUYLLOGFIB-WCBMZHEXSA-N -1 0 320.309 -0.179 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)NCC[C@H]2CCCO2)C1 ZINC001574323973 1026763380 /nfs/dbraw/zinc/76/33/80/1026763380.db2.gz XPPYJAGSGAZOAX-HBNTYKKESA-N -1 0 301.343 -0.175 20 0 DBADRM O=C([O-])[C@H](F)C1CN(C(=O)NCCC2(O)CCOCC2)C1 ZINC001574345242 1026763852 /nfs/dbraw/zinc/76/38/52/1026763852.db2.gz KALWDDIZAAIQBT-SNVBAGLBSA-N -1 0 304.318 -0.018 20 0 DBADRM O=C([O-])[C@H](F)C1CN(C(=O)NCCC(=O)N2CCOCC2)C1 ZINC001574345174 1026763962 /nfs/dbraw/zinc/76/39/62/1026763962.db2.gz JGZZSFWQBAFRRC-LLVKDONJSA-N -1 0 317.317 -0.701 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001574331147 1026764457 /nfs/dbraw/zinc/76/44/57/1026764457.db2.gz NXXMQPKRPNLZLU-JGVFFNPUSA-N -1 0 307.306 -0.018 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)Nc2cnc3ccnn3c2)C1 ZINC001574345614 1026766330 /nfs/dbraw/zinc/76/63/30/1026766330.db2.gz LSTAFXXKJZJDSZ-WCBMZHEXSA-N -1 0 320.309 -0.179 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccnc2)C1 ZINC001574355604 1026766416 /nfs/dbraw/zinc/76/64/16/1026766416.db2.gz FAGFMVFINYFDQP-SECBINFHSA-N -1 0 313.335 -0.707 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)Cc1noc2c1CCCC2 ZINC001574345523 1026767338 /nfs/dbraw/zinc/76/73/38/1026767338.db2.gz NPDQQNCVDROLSQ-QMMMGPOBSA-N -1 0 304.324 -0.582 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C2=C3CCCN=C3NN2)CC12COC2 ZINC001574356111 1026767987 /nfs/dbraw/zinc/76/79/87/1026767987.db2.gz YULVUYKLHHXKIF-SECBINFHSA-N -1 0 306.322 -0.900 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3n(n2)CCC[C@@H]3O)CC12COC2 ZINC001574356191 1026768148 /nfs/dbraw/zinc/76/81/48/1026768148.db2.gz ZUDCCNKZHTXRLP-CABZTGNLSA-N -1 0 321.333 -0.117 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)CCO1 ZINC001574355684 1026768186 /nfs/dbraw/zinc/76/81/86/1026768186.db2.gz HMXHNHOIMHGUII-ZDLIJIFBSA-N -1 0 311.290 -0.981 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)N=S2(=O)CCCC2)CCO1 ZINC001574355780 1026768640 /nfs/dbraw/zinc/76/86/40/1026768640.db2.gz LVKIWIWRQJPRSB-MRVPVSSYSA-N -1 0 312.369 -0.722 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)NCc1nc(CO)n[nH]1)C(F)(F)F ZINC001574358927 1026769097 /nfs/dbraw/zinc/76/90/97/1026769097.db2.gz ZJCURMJONONCPG-SCSAIBSYSA-N -1 0 311.220 -0.498 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC001574361768 1026770681 /nfs/dbraw/zinc/77/06/81/1026770681.db2.gz IVNIJXVADHEHDW-SRVKXCTJSA-N -1 0 300.355 -0.418 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N1CCC(OC[C@H]2CCOC2)CC1 ZINC001574361755 1026771025 /nfs/dbraw/zinc/77/10/25/1026771025.db2.gz IOMUODNSPAKJPQ-JQWIXIFHSA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@H]2COc3ccc(O)cc3O2)COC1 ZINC001574365127 1026771128 /nfs/dbraw/zinc/77/11/28/1026771128.db2.gz NRGCIVJREPKHPS-LLVKDONJSA-N -1 0 309.274 -0.108 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCc1nc([C@H]2CCOC2)n[nH]1 ZINC001574362763 1026771344 /nfs/dbraw/zinc/77/13/44/1026771344.db2.gz WPKDTQRVROELKX-QMMMGPOBSA-N -1 0 318.355 -0.407 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)Nc1cccc(CN2CCOCC2)n1 ZINC001574364631 1026771473 /nfs/dbraw/zinc/77/14/73/1026771473.db2.gz GCQNGUVCDFDWGP-NSHDSACASA-N -1 0 309.322 -0.312 20 0 DBADRM O=C([O-])CCN(CC1CC1)C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001574362340 1026771481 /nfs/dbraw/zinc/77/14/81/1026771481.db2.gz SBUBMLAJCZDGPV-GFCCVEGCSA-N -1 0 311.338 -0.437 20 0 DBADRM O=C([O-])CC1(NC(=O)c2cc(Cn3cccn3)on2)COC1 ZINC001574364599 1026771544 /nfs/dbraw/zinc/77/15/44/1026771544.db2.gz FAURTYBNVVVXQH-UHFFFAOYSA-N -1 0 306.278 -0.107 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)NCc1nc(COc2ccccc2)n[nH]1 ZINC001574363092 1026771703 /nfs/dbraw/zinc/77/17/03/1026771703.db2.gz NUXLTKXIDBVBBH-SNVBAGLBSA-N -1 0 320.305 -0.165 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1COCCN1C[C@H]1CCCC[C@H]1O ZINC001574372390 1026772162 /nfs/dbraw/zinc/77/21/62/1026772162.db2.gz PMIYCFTZSDYULN-GRYCIOLGSA-N -1 0 300.355 -0.561 20 0 DBADRM O=C([O-])CCNC(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC001574368589 1026772290 /nfs/dbraw/zinc/77/22/90/1026772290.db2.gz WLLNVTSWKTYTJN-UHFFFAOYSA-N -1 0 304.299 -0.305 20 0 DBADRM O=C([O-])CNC(=O)C1CCN(C(=O)CCc2cn[nH]n2)CC1 ZINC001574372429 1026772314 /nfs/dbraw/zinc/77/23/14/1026772314.db2.gz RQMCLLFZLQAMRZ-UHFFFAOYSA-N -1 0 309.326 -0.823 20 0 DBADRM O=C([O-])CCN(Cc1cccnc1)C(=O)CCn1cnnn1 ZINC001574367856 1026772744 /nfs/dbraw/zinc/77/27/44/1026772744.db2.gz FITRWVOZCSWYDI-UHFFFAOYSA-N -1 0 304.310 -0.038 20 0 DBADRM O=C([O-])Cc1nnc(NC(=O)N[C@H]2CC[C@@H](O)[C@@H](O)C2)s1 ZINC001574374962 1026773190 /nfs/dbraw/zinc/77/31/90/1026773190.db2.gz BVBBYMXQIHQTPM-XVMARJQXSA-N -1 0 316.339 -0.439 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)Nc1nc(CN2CCOCC2)cs1 ZINC001574365216 1026773415 /nfs/dbraw/zinc/77/34/15/1026773415.db2.gz QLANYSRALVKKML-VIFPVBQESA-N -1 0 315.351 -0.251 20 0 DBADRM O=C([O-])CN1CCCN(C(=O)C2=CS(=O)(=O)CCC2)CC1 ZINC001574372915 1026773671 /nfs/dbraw/zinc/77/36/71/1026773671.db2.gz XAYTYLLCFQSGQU-UHFFFAOYSA-N -1 0 316.379 -0.302 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)Nc1nc(CN2CCOCC2)cs1 ZINC001574365215 1026773965 /nfs/dbraw/zinc/77/39/65/1026773965.db2.gz QLANYSRALVKKML-SECBINFHSA-N -1 0 315.351 -0.251 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)c2coc3c2C(=O)NCCC3)n1 ZINC001574376947 1026774478 /nfs/dbraw/zinc/77/44/78/1026774478.db2.gz KUKZKSKUDZAKGY-UHFFFAOYSA-N -1 0 319.277 -0.116 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NS(=O)(=O)Cc2ccno2)C1 ZINC001574377115 1026774591 /nfs/dbraw/zinc/77/45/91/1026774591.db2.gz MVAHASIXVVVLOU-IONNQARKSA-N -1 0 305.312 -0.935 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)NC2CCS(=O)(=O)CC2)n1 ZINC001574375334 1026775042 /nfs/dbraw/zinc/77/50/42/1026775042.db2.gz LCSRWBIYLXPBPD-UHFFFAOYSA-N -1 0 317.327 -0.939 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)N2C[C@@H](CO)[C@H](CCO)C2)C1 ZINC001574376339 1026775170 /nfs/dbraw/zinc/77/51/70/1026775170.db2.gz CUUVEXBBCIHMLJ-VWYCJHECSA-N -1 0 301.343 -0.629 20 0 DBADRM O=C([O-])Cn1cccc(NC(=O)N2CC[C@@]3(O)C[C@H]3C2)c1=O ZINC001574375301 1026775409 /nfs/dbraw/zinc/77/54/09/1026775409.db2.gz JMTTWDNULANJDC-LKFCYVNXSA-N -1 0 307.306 -0.079 20 0 DBADRM O=C([O-])N1CCN(S(=O)(=O)N[C@]23CCC[C@H]2OCC3)CC1 ZINC001574376274 1026775539 /nfs/dbraw/zinc/77/55/39/1026775539.db2.gz AKRFFGJTESHICT-PWSUYJOCSA-N -1 0 319.383 -0.172 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)N[C@H]2CCCC23OCCO3)n1 ZINC001574375345 1026775824 /nfs/dbraw/zinc/77/58/24/1026775824.db2.gz LNOBYUTUKCABSJ-QMMMGPOBSA-N -1 0 311.298 -0.220 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2C[C@H](CCO)[C@H](CO)C2)n1 ZINC001574375174 1026776180 /nfs/dbraw/zinc/77/61/80/1026776180.db2.gz HUVOPBWIBRWXIP-UWVGGRQHSA-N -1 0 312.326 -0.578 20 0 DBADRM O=C([O-])N[C@@H]1CCCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001574380820 1026776501 /nfs/dbraw/zinc/77/65/01/1026776501.db2.gz JAJRUGADVVWLLT-DTWKUNHWSA-N -1 0 309.326 -0.195 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N(CCO)CCN1CCOCC1 ZINC001574385828 1026778244 /nfs/dbraw/zinc/77/82/44/1026778244.db2.gz UCHMDIYNGCPCKT-NWDGAFQWSA-N -1 0 300.355 -0.750 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)NCc3nc4ncccn4n3)C[C@@H]21 ZINC001574400133 1026778277 /nfs/dbraw/zinc/77/82/77/1026778277.db2.gz BQWHILKSGMAWON-WCABBAIRSA-N -1 0 316.321 -0.014 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001574393955 1026778480 /nfs/dbraw/zinc/77/84/80/1026778480.db2.gz LQIOILQMKRDBOG-GHMZBOCLSA-N -1 0 311.338 -0.697 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)N1CCC[C@@H](CO)[C@H]1CO ZINC001574380967 1026778631 /nfs/dbraw/zinc/77/86/31/1026778631.db2.gz OSDIERCKCPOGCL-AEJSXWLSSA-N -1 0 304.368 -0.369 20 0 DBADRM O=C([O-])c1nc[nH]c1CNS(=O)(=O)C[C@H]1CCCOC1 ZINC001574406025 1026779658 /nfs/dbraw/zinc/77/96/58/1026779658.db2.gz RQFZPWIHQAUJPP-QMMMGPOBSA-N -1 0 303.340 -0.046 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(S(=O)(=O)CCN3CCOC3=O)C[C@@H]21 ZINC001574405434 1026780068 /nfs/dbraw/zinc/78/00/68/1026780068.db2.gz FULYOTMQIMSYCG-KXUCPTDWSA-N -1 0 318.351 -0.579 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC001574415735 1026780743 /nfs/dbraw/zinc/78/07/43/1026780743.db2.gz VRFVAHYQOGVWCH-MNOVXSKESA-N -1 0 301.320 -0.499 20 0 DBADRM O=C([O-])c1cc(CS(=O)(=O)N[C@@H](CO)[C@@H]2CCOC2)on1 ZINC001574409370 1026780888 /nfs/dbraw/zinc/78/08/88/1026780888.db2.gz YJWFHFDHCXWDCK-XCBNKYQSSA-N -1 0 320.323 -0.810 20 0 DBADRM O=C([O-])c1c[nH]nc1[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001574414500 1026781051 /nfs/dbraw/zinc/78/10/51/1026781051.db2.gz ATKCLGAUTFRXOL-QMMMGPOBSA-N -1 0 305.298 -0.499 20 0 DBADRM O=C([O-])c1c[nH]nc1[C@H]1CCN(C(=O)C2(n3cnnn3)CC2)C1 ZINC001574414950 1026781094 /nfs/dbraw/zinc/78/10/94/1026781094.db2.gz MFCQGXJUQCBDOE-QMMMGPOBSA-N -1 0 317.309 -0.400 20 0 DBADRM O=C([O-])c1ccc(CS(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC001574414548 1026781478 /nfs/dbraw/zinc/78/14/78/1026781478.db2.gz DQNSNXCPSCYMDQ-NEPJUHHUSA-N -1 0 315.347 -0.358 20 0 DBADRM Cc1nc([C@H](C)NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)no1 ZINC001574417207 1026781944 /nfs/dbraw/zinc/78/19/44/1026781944.db2.gz KOYHZSLPVRHOBR-IONNQARKSA-N -1 0 310.310 -0.122 20 0 DBADRM O=C([O-])c1cnn2cc(CN3CCC(O)(CO)CC3)cnc12 ZINC001574422609 1026782027 /nfs/dbraw/zinc/78/20/27/1026782027.db2.gz IEWNKHNZAASFLA-UHFFFAOYSA-N -1 0 306.322 -0.253 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@@H]1CCCN1C(=O)CNC(=O)C1CC1 ZINC001574422843 1026782367 /nfs/dbraw/zinc/78/23/67/1026782367.db2.gz CBKZDMKWIADTMO-QMMMGPOBSA-N -1 0 307.310 -0.307 20 0 DBADRM O=C([O-])c1cnn2ccc(NC(=O)N3C[C@@H](O)[C@@H](O)C3)cc12 ZINC001574423316 1026782541 /nfs/dbraw/zinc/78/25/41/1026782541.db2.gz UISRGSGWTPCDIW-PHIMTYICSA-N -1 0 306.278 -0.398 20 0 DBADRM Cc1nc(CS(=O)(=O)NCC2(C(=O)[O-])CCOCC2)no1 ZINC001574421012 1026782551 /nfs/dbraw/zinc/78/25/51/1026782551.db2.gz APVQKSJVKNHBLZ-UHFFFAOYSA-N -1 0 319.339 -0.321 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CC[C@@]2(CCOC2=O)C1 ZINC001574417304 1026782716 /nfs/dbraw/zinc/78/27/16/1026782716.db2.gz JXCUZHLNFFWRFS-LLVKDONJSA-N -1 0 315.307 -0.564 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@H]1CCCN1C(=O)CNC(=O)C1CC1 ZINC001574422842 1026782892 /nfs/dbraw/zinc/78/28/92/1026782892.db2.gz CBKZDMKWIADTMO-MRVPVSSYSA-N -1 0 307.310 -0.307 20 0 DBADRM O=C([O-])c1c[nH]c(NC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)n1 ZINC001574417239 1026783045 /nfs/dbraw/zinc/78/30/45/1026783045.db2.gz GHTLRVKPHMSUDT-IONNQARKSA-N -1 0 318.293 -0.524 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@@H](O)c1cncs1 ZINC001574417597 1026783963 /nfs/dbraw/zinc/78/39/63/1026783963.db2.gz OPZGSARLCUXSNN-ZCFIWIBFSA-N -1 0 318.336 -0.424 20 0 DBADRM O=C([O-])c1c[nH]c(NC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)n1 ZINC001574417240 1026783996 /nfs/dbraw/zinc/78/39/96/1026783996.db2.gz GHTLRVKPHMSUDT-VXNVDRBHSA-N -1 0 318.293 -0.524 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001574429665 1026785460 /nfs/dbraw/zinc/78/54/60/1026785460.db2.gz VWOSPGORTIOKPA-OCAPTIKFSA-N -1 0 313.335 -0.370 20 0 DBADRM O=C([O-])c1ncc(C(=O)N2CC(C3CS(=O)(=O)C3)C2)s1 ZINC001574423400 1026785544 /nfs/dbraw/zinc/78/55/44/1026785544.db2.gz PMGFWHRDBZIYEJ-UHFFFAOYSA-N -1 0 316.360 -0.042 20 0 DBADRM O=C([O-])c1nccc(NCc2nc3c(c(=O)[nH]2)COCC3)n1 ZINC001574423551 1026785622 /nfs/dbraw/zinc/78/56/22/1026785622.db2.gz SKMZAUVZTFFRIQ-UHFFFAOYSA-N -1 0 303.278 -0.223 20 0 DBADRM O=C([O-])c1c[nH]nc1[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001574428292 1026785805 /nfs/dbraw/zinc/78/58/05/1026785805.db2.gz HHXFEGYTXRDOMS-DTWKUNHWSA-N -1 0 306.322 -0.050 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@H]1CCCC(=O)N1)[C@H](O)c1ccncc1 ZINC001574430917 1026786246 /nfs/dbraw/zinc/78/62/46/1026786246.db2.gz ONMJNWFCDVUGAH-LERXQTSPSA-N -1 0 321.333 -0.257 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@@H]1CCCN1C(=O)C[C@@H]1CCNC1=O ZINC001574423819 1026786418 /nfs/dbraw/zinc/78/64/18/1026786418.db2.gz XFURXHJNPLMKJL-YUMQZZPRSA-N -1 0 307.310 -0.307 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCNC(=O)C1)[C@H](O)c1ccncc1 ZINC001574431141 1026786911 /nfs/dbraw/zinc/78/69/11/1026786911.db2.gz UGERVPLCUBUBKM-YUSALJHKSA-N -1 0 307.306 -0.789 20 0 DBADRM Cn1cc(S(=O)(=O)NC(C)(C)CCC(=O)[O-])c(=O)[nH]c1=O ZINC001574456285 1026789554 /nfs/dbraw/zinc/78/95/54/1026789554.db2.gz AAOAVNCBMBFMMI-UHFFFAOYSA-N -1 0 319.339 -0.592 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC2(CNC(=O)O2)CC1 ZINC001574462622 1026791625 /nfs/dbraw/zinc/79/16/25/1026791625.db2.gz WYYTZUYXOGTGLG-UHFFFAOYSA-N -1 0 308.294 -0.167 20 0 DBADRM NC(=O)c1cn(C2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)nn1 ZINC001574503137 1026792641 /nfs/dbraw/zinc/79/26/41/1026792641.db2.gz QGYAHYAMOUKLJF-VHSXEESVSA-N -1 0 321.337 -0.349 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CCN2C1=O ZINC001574499869 1026792655 /nfs/dbraw/zinc/79/26/55/1026792655.db2.gz IAQQJFMSXPWFSW-GUBZILKMSA-N -1 0 324.337 -0.473 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)c2coc(/C=C\C(=O)[O-])c2)CC1 ZINC001574508539 1026793101 /nfs/dbraw/zinc/79/31/01/1026793101.db2.gz YMBKDIWGPMMDSQ-UPHRSURJSA-N -1 0 314.319 -0.072 20 0 DBADRM NC(=O)c1ccc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])o1 ZINC001574502573 1026793178 /nfs/dbraw/zinc/79/31/78/1026793178.db2.gz CBEQPFBLVPNBCF-QMMMGPOBSA-N -1 0 317.323 -0.738 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)NCCCCC(=O)[O-])C1 ZINC001574507565 1026793691 /nfs/dbraw/zinc/79/36/91/1026793691.db2.gz OJPCWRSBILXKOT-SECBINFHSA-N -1 0 307.372 -0.439 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001574567367 1026795500 /nfs/dbraw/zinc/79/55/00/1026795500.db2.gz QBFNBZIRUANSAF-UHFFFAOYSA-N -1 0 311.294 -0.488 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)CNC(=O)c2ncccc2O)C1 ZINC001574531911 1026796065 /nfs/dbraw/zinc/79/60/65/1026796065.db2.gz UCJXSIWSECXHRD-BDAKNGLRSA-N -1 0 307.306 -0.114 20 0 DBADRM O=C([O-])[C@]1(C(=O)N[C@H](CO)[C@H](O)c2ccccn2)CCCO1 ZINC001574626086 1026796928 /nfs/dbraw/zinc/79/69/28/1026796928.db2.gz FVDSIKUTCCJXJN-JTNHKYCSSA-N -1 0 310.306 -0.774 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N(CCO)CCOCCO)CC=CCC1 ZINC001574621317 1026798876 /nfs/dbraw/zinc/79/88/76/1026798876.db2.gz OBUHBVOHJFYTHD-AWEZNQCLSA-N -1 0 301.339 -0.373 20 0 DBADRM C[S@](=O)CCNC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001574651488 1026799495 /nfs/dbraw/zinc/79/94/95/1026799495.db2.gz YYJCVZZWLBCARX-PPRQPISWSA-N -1 0 322.383 -0.151 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)C1 ZINC001574644393 1026799782 /nfs/dbraw/zinc/79/97/82/1026799782.db2.gz UPJBCHGVJWOVDK-WDEREUQCSA-N -1 0 321.264 -0.113 20 0 DBADRM C[C@H](O)[C@H](NS(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1)C(=O)[O-] ZINC001574662020 1026799918 /nfs/dbraw/zinc/79/99/18/1026799918.db2.gz HMWSICFTOAGOQL-ASXGKARISA-N -1 0 307.368 -0.303 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2noc3c2COCC3)CCO1 ZINC001574657656 1026800634 /nfs/dbraw/zinc/80/06/34/1026800634.db2.gz CXMCVVPDYOWGRT-NSHDSACASA-N -1 0 311.294 -0.258 20 0 DBADRM O=C([O-])C[NH+]1CCC(NC(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001574716512 1026801340 /nfs/dbraw/zinc/80/13/40/1026801340.db2.gz SKVNEMHNXJXERW-UHFFFAOYSA-N -1 0 315.355 -0.732 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC12CCOCC2 ZINC001574669143 1026801360 /nfs/dbraw/zinc/80/13/60/1026801360.db2.gz QKTWSUPKOGOQRY-NXEZZACHSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCC1(O)CCC1 ZINC001574668764 1026801408 /nfs/dbraw/zinc/80/14/08/1026801408.db2.gz IVWSCWHXIQPTMI-VIFPVBQESA-N -1 0 305.352 -0.608 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1ccncn1 ZINC001574669139 1026801494 /nfs/dbraw/zinc/80/14/94/1026801494.db2.gz QGSOJVMEJVISDS-JTQLQIEISA-N -1 0 313.335 -0.881 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cncc(Cl)n1 ZINC001574669569 1026801642 /nfs/dbraw/zinc/80/16/42/1026801642.db2.gz UOEZWILHPRANCL-ZETCQYMHSA-N -1 0 319.726 -0.546 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)NCc2nnnn2CC2CC2)CO1 ZINC001574686067 1026801709 /nfs/dbraw/zinc/80/17/09/1026801709.db2.gz IMMDOMTUKLGNMT-MNOVXSKESA-N -1 0 323.353 -0.031 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(F)cn1 ZINC001574670157 1026802124 /nfs/dbraw/zinc/80/21/24/1026802124.db2.gz YOVLRNPDOMKXEG-VIFPVBQESA-N -1 0 302.283 -0.456 20 0 DBADRM C[C@H](O)[C@H](NC(=O)c1ccc(Cc2nnc[nH]2)cc1)C(=O)[O-] ZINC001574662670 1026802516 /nfs/dbraw/zinc/80/25/16/1026802516.db2.gz WGRDBYXHRSHCEC-UFBFGSQYSA-N -1 0 304.306 -0.041 20 0 DBADRM COc1ncc(-c2noc(C(=O)[N-]c3cc(C)on3)n2)c(N)n1 ZINC000644584378 412492761 /nfs/dbraw/zinc/49/27/61/412492761.db2.gz OOUBUNDYISKECN-UHFFFAOYSA-N -1 0 317.265 0.088 20 0 DBADRM Cn1c(N2CCC(C(=O)[O-])CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000082517537 185189450 /nfs/dbraw/zinc/18/94/50/185189450.db2.gz ADYPQTQBDLHFKT-UHFFFAOYSA-N -1 0 307.310 -0.739 20 0 DBADRM C[C@H]1OCC[C@H]1NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000333602000 300627201 /nfs/dbraw/zinc/62/72/01/300627201.db2.gz QQFBYWNSSANZPH-IWSPIJDZSA-N -1 0 306.340 -0.943 20 0 DBADRM CNS(=O)(=O)NCC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000448890621 530022124 /nfs/dbraw/zinc/02/21/24/530022124.db2.gz KXIHGVOLRBTTTN-UHFFFAOYSA-N -1 0 307.401 -0.750 20 0 DBADRM CN1C(=O)c2ccc(C(=O)NCCc3nc(=O)o[n-]3)cc2C1=O ZINC000447633269 530046426 /nfs/dbraw/zinc/04/64/26/530046426.db2.gz WZPWVDJMTMPYHT-UHFFFAOYSA-N -1 0 316.273 -0.439 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@]12CCOC2 ZINC000408478735 412527429 /nfs/dbraw/zinc/52/74/29/412527429.db2.gz RXBSFSMAVHJFDU-CPCISQLKSA-N -1 0 301.324 -0.203 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000565233588 412526771 /nfs/dbraw/zinc/52/67/71/412526771.db2.gz VUIRICJRBXRDIE-SFYZADRCSA-N -1 0 319.339 -0.589 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000514790168 412529991 /nfs/dbraw/zinc/52/99/91/412529991.db2.gz WZGZBPXLRDCGTI-UHFFFAOYSA-N -1 0 305.312 -0.523 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000574400645 412530149 /nfs/dbraw/zinc/53/01/49/412530149.db2.gz UOTWJWWXXHJIAB-SSDOTTSWSA-N -1 0 315.311 -0.597 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000575320614 412530888 /nfs/dbraw/zinc/53/08/88/412530888.db2.gz AVLCWYDKRHKWCU-BQBZGAKWSA-N -1 0 305.312 -0.667 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NC[C@@H](OC)C(=O)[O-])c(C)o1 ZINC000263160802 290787874 /nfs/dbraw/zinc/78/78/74/290787874.db2.gz YQLFXCQKVVNVCG-MRVPVSSYSA-N -1 0 320.323 -0.674 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-] ZINC000569931740 412531507 /nfs/dbraw/zinc/53/15/07/412531507.db2.gz JZHIQJLONFNMIZ-QMMMGPOBSA-N -1 0 315.307 0.132 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000583630782 412535703 /nfs/dbraw/zinc/53/57/03/412535703.db2.gz UGBISNUXOSXMTE-ZETCQYMHSA-N -1 0 320.353 0.045 20 0 DBADRM COc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000004749254 181147678 /nfs/dbraw/zinc/14/76/78/181147678.db2.gz KVZXBMWLDHEYNA-UHFFFAOYSA-N -1 0 302.308 -0.826 20 0 DBADRM O=C([O-])CC1(NC(=O)CCN2CCCS2(=O)=O)CCC1 ZINC000262494885 304043579 /nfs/dbraw/zinc/04/35/79/304043579.db2.gz MPWKQGKBCWYYKD-UHFFFAOYSA-N -1 0 304.368 -0.074 20 0 DBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)[N-]S(C)(=O)=O ZINC000114048714 138094637 /nfs/dbraw/zinc/09/46/37/138094637.db2.gz LTJCERGFMKVDCC-UHFFFAOYSA-N -1 0 312.351 -0.503 20 0 DBADRM COC[C@@](C)([N-]S(=O)(=O)Cc1cc(C)no1)C(=O)OC ZINC000340880702 138101454 /nfs/dbraw/zinc/10/14/54/138101454.db2.gz LSQGOIYIPKOCCH-LLVKDONJSA-N -1 0 306.340 -0.019 20 0 DBADRM Cn1nnc2cc(C(=O)Nc3n[n-]c(S(C)(=O)=O)n3)ccc21 ZINC000355690496 138141155 /nfs/dbraw/zinc/14/11/55/138141155.db2.gz BGSGCLWNQJIZCG-UHFFFAOYSA-N -1 0 321.322 -0.258 20 0 DBADRM COC(=O)[C@@H](CC(C)C)NC(=O)Cn1[n-]c(SC)nc1=O ZINC000355931293 138141623 /nfs/dbraw/zinc/14/16/23/138141623.db2.gz OXCSDZPPLHSIKT-MRVPVSSYSA-N -1 0 316.383 -0.003 20 0 DBADRM COCCN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@H]1CCOC1 ZINC000357426161 138145313 /nfs/dbraw/zinc/14/53/13/138145313.db2.gz RVZNQNRBGZLFMZ-QMMMGPOBSA-N -1 0 302.356 -0.134 20 0 DBADRM CCn1nccc1CN(CCO)C(=O)c1cnc([O-])n(C)c1=O ZINC000357404395 138145502 /nfs/dbraw/zinc/14/55/02/138145502.db2.gz WMJNLCQDEJOYEZ-UHFFFAOYSA-N -1 0 321.337 -0.663 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2CC(CC(N)=O)C2)c(C)o1 ZINC000358092949 138148847 /nfs/dbraw/zinc/14/88/47/138148847.db2.gz DYYQEDSKCKZFQK-UHFFFAOYSA-N -1 0 315.351 -0.556 20 0 DBADRM O=C([O-])C1CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000370580998 138158664 /nfs/dbraw/zinc/15/86/64/138158664.db2.gz ZLYZDRJAJIVPHJ-UHFFFAOYSA-N -1 0 310.331 -0.322 20 0 DBADRM CCOC(=O)N1CCC(S(=O)(=O)N(C)CC(=O)[O-])CC1 ZINC000371138450 138160796 /nfs/dbraw/zinc/16/07/96/138160796.db2.gz ZANLRBZLVRGZFW-UHFFFAOYSA-N -1 0 308.356 -0.047 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000376783981 138189446 /nfs/dbraw/zinc/18/94/46/138189446.db2.gz CGPYKRNQQIVRTB-QMMMGPOBSA-N -1 0 313.310 -0.981 20 0 DBADRM C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@H]1O ZINC000377167451 138191976 /nfs/dbraw/zinc/19/19/76/138191976.db2.gz ARFHGXKZPXRCEK-YRGRVCCFSA-N -1 0 320.345 -0.422 20 0 DBADRM O=C(COc1ccccc1O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000378197731 138196967 /nfs/dbraw/zinc/19/69/67/138196967.db2.gz CUUIDXORBIQLOQ-LLVKDONJSA-N -1 0 305.294 -0.116 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)COC2)[C@@H]1COCCO1 ZINC000408322846 138215053 /nfs/dbraw/zinc/21/50/53/138215053.db2.gz VXLMNWOFRGJSJR-LBPRGKRZSA-N -1 0 313.331 -0.063 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)C1 ZINC000408007601 138202506 /nfs/dbraw/zinc/20/25/06/138202506.db2.gz JDHMRGOCTDQLQM-UHFFFAOYSA-N -1 0 312.351 -0.888 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000408371480 138216012 /nfs/dbraw/zinc/21/60/12/138216012.db2.gz BQVURNVEAWVTTL-UHFFFAOYSA-N -1 0 303.340 -0.683 20 0 DBADRM O=C([N-]S(=O)(=O)c1cncc(Cl)c1)[C@@H]1COCCO1 ZINC000408063397 138206044 /nfs/dbraw/zinc/20/60/44/138206044.db2.gz VCOJGFTXZUPPLS-VIFPVBQESA-N -1 0 306.727 -0.045 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000408135013 138208018 /nfs/dbraw/zinc/20/80/18/138208018.db2.gz WWGKLELNOQDUJI-VIFPVBQESA-N -1 0 302.356 -0.073 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)n1 ZINC000408131710 138208139 /nfs/dbraw/zinc/20/81/39/138208139.db2.gz HUZFRSSJWSALRC-VIFPVBQESA-N -1 0 302.356 -0.155 20 0 DBADRM O=C(CN1CCCCC1=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408134306 138208413 /nfs/dbraw/zinc/20/84/13/138208413.db2.gz SVSNHQWSXSQQGO-JTQLQIEISA-N -1 0 304.368 -0.376 20 0 DBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)C2CCCCC2)c1=O ZINC000408125743 138208415 /nfs/dbraw/zinc/20/84/15/138208415.db2.gz DYZUCJVULUGRHL-UHFFFAOYSA-N -1 0 316.383 -0.249 20 0 DBADRM C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)CO1 ZINC000408158204 138209434 /nfs/dbraw/zinc/20/94/34/138209434.db2.gz MNESJGRQYMOIOU-IUCAKERBSA-N -1 0 315.351 -0.105 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)c1 ZINC000408181146 138209755 /nfs/dbraw/zinc/20/97/55/138209755.db2.gz BDVYQAKGXKCLQZ-SECBINFHSA-N -1 0 303.340 -0.316 20 0 DBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)[C@@H]1CCCOC1 ZINC000408176636 138209757 /nfs/dbraw/zinc/20/97/57/138209757.db2.gz HWXGHEQTZLLOAV-SECBINFHSA-N -1 0 315.351 -0.103 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000408372346 138216444 /nfs/dbraw/zinc/21/64/44/138216444.db2.gz HNZQIYJDKILOQB-VIFPVBQESA-N -1 0 312.413 -0.486 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000408372344 138216557 /nfs/dbraw/zinc/21/65/57/138216557.db2.gz HNZQIYJDKILOQB-SECBINFHSA-N -1 0 312.413 -0.486 20 0 DBADRM CC(C)(C)N1C[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)CC1=O ZINC000408385353 138216671 /nfs/dbraw/zinc/21/66/71/138216671.db2.gz LLHCKGHBVNVPJU-UWVGGRQHSA-N -1 0 318.395 -0.132 20 0 DBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)c1=O ZINC000408402605 138217882 /nfs/dbraw/zinc/21/78/82/138217882.db2.gz IWPDRIGIYUPZDJ-SECBINFHSA-N -1 0 300.336 -0.376 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)ccc1=O ZINC000408405369 138217926 /nfs/dbraw/zinc/21/79/26/138217926.db2.gz QUJVHHZWDJRHPB-SNVBAGLBSA-N -1 0 300.336 -0.376 20 0 DBADRM COc1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)nn1C ZINC000408477819 138220155 /nfs/dbraw/zinc/22/01/55/138220155.db2.gz HBILRKSLUVHZOZ-QMMMGPOBSA-N -1 0 303.340 -0.333 20 0 DBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)c(=O)c1 ZINC000408487542 138220188 /nfs/dbraw/zinc/22/01/88/138220188.db2.gz WGLFSWCLWVCEMT-LLVKDONJSA-N -1 0 314.363 -0.218 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000408475153 138220193 /nfs/dbraw/zinc/22/01/93/138220193.db2.gz BZJLELUOKCLEIB-QMMMGPOBSA-N -1 0 312.351 -0.764 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCO2 ZINC000408480409 138220245 /nfs/dbraw/zinc/22/02/45/138220245.db2.gz WIRZODGLXUKORY-UHFFFAOYSA-N -1 0 311.323 -0.564 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ncccc2F)CC1=O ZINC000408476676 138220250 /nfs/dbraw/zinc/22/02/50/138220250.db2.gz BTZZEWQQYDKSMQ-MRVPVSSYSA-N -1 0 315.326 -0.106 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1cnn2c1OCCC2 ZINC000408486359 138220266 /nfs/dbraw/zinc/22/02/66/138220266.db2.gz SEEOLZPLWWUIBB-SECBINFHSA-N -1 0 315.351 -0.096 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000408483097 138220362 /nfs/dbraw/zinc/22/03/62/138220362.db2.gz WCMCUBXLFOMGOL-RKDXNWHRSA-N -1 0 314.367 -0.483 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)CC1=O ZINC000408505145 138220370 /nfs/dbraw/zinc/22/03/70/138220370.db2.gz WGDGFYFIALBZRP-NXEZZACHSA-N -1 0 304.368 -0.520 20 0 DBADRM Cn1ncc2cc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)cnc21 ZINC000408479572 138220419 /nfs/dbraw/zinc/22/04/19/138220419.db2.gz NCPRAMIZUBTRBV-JTQLQIEISA-N -1 0 310.335 -0.183 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1cnn2c1OCCC2 ZINC000408481311 138220457 /nfs/dbraw/zinc/22/04/57/138220457.db2.gz IRMMGLAWANKODI-VIFPVBQESA-N -1 0 315.351 -0.096 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cnn(C)c2C)C1 ZINC000408489291 138220470 /nfs/dbraw/zinc/22/04/70/138220470.db2.gz RGLBMCYWNPXVCH-UHFFFAOYSA-N -1 0 300.340 -0.988 20 0 DBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000408482712 138220482 /nfs/dbraw/zinc/22/04/82/138220482.db2.gz ILUAUPQZFGAAFD-UHFFFAOYSA-N -1 0 318.395 -0.129 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCO2 ZINC000408474107 138220571 /nfs/dbraw/zinc/22/05/71/138220571.db2.gz FBXAUKSNMMGWQC-UHFFFAOYSA-N -1 0 312.307 -0.001 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)CN1CSCC1=O ZINC000091128083 304079659 /nfs/dbraw/zinc/07/96/59/304079659.db2.gz NDPKIVARTKAKBP-MRVPVSSYSA-N -1 0 304.393 -0.062 20 0 DBADRM Cn1nccc1/C=C\C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000492106162 237006055 /nfs/dbraw/zinc/00/60/55/237006055.db2.gz YCYUOEQXUIRARK-IHWYPQMZSA-N -1 0 300.340 -0.874 20 0 DBADRM Cc1ccc(-n2[n-]nnc2=NC[C@@H](O)Cn2ccnn2)cc1 ZINC000413446940 237199065 /nfs/dbraw/zinc/19/90/65/237199065.db2.gz ZIRSFTPUNLCLAE-GFCCVEGCSA-N -1 0 300.326 -0.543 20 0 DBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCn1cccn1)C2 ZINC000420545747 237404895 /nfs/dbraw/zinc/40/48/95/237404895.db2.gz UNMXQPSZQUKNLA-XHDPSFHLSA-N -1 0 320.349 -0.287 20 0 DBADRM COC(=O)NCCCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000272663791 291197412 /nfs/dbraw/zinc/19/74/12/291197412.db2.gz TYICLRCPNNSXSJ-VIFPVBQESA-N -1 0 317.342 -0.440 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424490933 237477360 /nfs/dbraw/zinc/47/73/60/237477360.db2.gz WPQBXCOZXDCXHG-UWVGGRQHSA-N -1 0 300.355 -0.167 20 0 DBADRM CC[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000035409136 283543014 /nfs/dbraw/zinc/54/30/14/283543014.db2.gz WHHCKNKDVQYXLM-SNVBAGLBSA-N -1 0 300.336 -0.056 20 0 DBADRM O=C(CNC(=O)Cc1ccccc1)NCCCc1n[nH]c(=O)[n-]1 ZINC000080973560 283556274 /nfs/dbraw/zinc/55/62/74/283556274.db2.gz PJEZZRRIYCFIDA-UHFFFAOYSA-N -1 0 317.349 -0.494 20 0 DBADRM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1nc(=O)[nH][n-]1 ZINC000129568899 283569852 /nfs/dbraw/zinc/56/98/52/283569852.db2.gz GCDZEOKZDKTXGK-JTQLQIEISA-N -1 0 303.322 -0.473 20 0 DBADRM C[C@@]1(CO)CCC[C@@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000161878065 283581094 /nfs/dbraw/zinc/58/10/94/283581094.db2.gz SLZHFQQCQFWOSP-BONVTDFDSA-N -1 0 318.333 -0.108 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@H](C)C(=O)[O-] ZINC000250700957 283594741 /nfs/dbraw/zinc/59/47/41/283594741.db2.gz SWZNXPRMXBLRTH-IUCAKERBSA-N -1 0 308.356 -0.431 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)NC2(C(=O)[O-])CCC2)C1 ZINC000400142101 283609554 /nfs/dbraw/zinc/60/95/54/283609554.db2.gz XJSBUDFDMJHHOT-SECBINFHSA-N -1 0 319.383 -0.283 20 0 DBADRM COCC[C@]1(NC(=O)CSc2n[nH]c(=O)[n-]2)CCOC1 ZINC000446956515 238317052 /nfs/dbraw/zinc/31/70/52/238317052.db2.gz HKJKRIIILXOMRS-NSHDSACASA-N -1 0 302.356 -0.086 20 0 DBADRM O=C(CNC(=O)Cc1cccc(F)c1)NCCc1nc(=O)o[n-]1 ZINC000447636075 238331935 /nfs/dbraw/zinc/33/19/35/238331935.db2.gz IWWCETYCSMSBHM-UHFFFAOYSA-N -1 0 322.296 -0.480 20 0 DBADRM Cc1nn(C)c2nc(C(=O)NCCc3nc(=O)o[n-]3)ccc12 ZINC000447632457 238332216 /nfs/dbraw/zinc/33/22/16/238332216.db2.gz KADLUQWHNITPAF-UHFFFAOYSA-N -1 0 302.294 -0.074 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451896306 238390694 /nfs/dbraw/zinc/39/06/94/238390694.db2.gz RUGOMIGOJWYQKE-DTORHVGOSA-N -1 0 317.333 -0.164 20 0 DBADRM Cn1[n-]nnc1=NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000532717734 283622657 /nfs/dbraw/zinc/62/26/57/283622657.db2.gz YUGSMLNSXPNNFU-JTQLQIEISA-N -1 0 314.357 -0.602 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000535514423 283653125 /nfs/dbraw/zinc/65/31/25/283653125.db2.gz WYQJIUKFRQDAEC-UHFFFAOYSA-N -1 0 322.364 -0.571 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c2=O ZINC000539604831 283677860 /nfs/dbraw/zinc/67/78/60/283677860.db2.gz FOLXZGNVQRFTEZ-CQSZACIVSA-N -1 0 319.321 -0.501 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H](C)c1cnn(C)c1)[C@H](C)C(=O)[O-] ZINC000543752370 283708046 /nfs/dbraw/zinc/70/80/46/283708046.db2.gz SYHYHOWTDCHGGY-NXEZZACHSA-N -1 0 310.354 -0.039 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)[O-] ZINC000547582342 283745249 /nfs/dbraw/zinc/74/52/49/283745249.db2.gz NGYUJCKBLYFZTI-BDAKNGLRSA-N -1 0 305.356 -0.081 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)oc1C)C(=O)[O-] ZINC000547573473 283745524 /nfs/dbraw/zinc/74/55/24/283745524.db2.gz TUPBMBCHZKMXHF-SSDOTTSWSA-N -1 0 321.307 -0.247 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](C)CCCC(=O)[O-] ZINC000547574586 283745574 /nfs/dbraw/zinc/74/55/74/283745574.db2.gz HPXKUBZTKUFMSJ-VIFPVBQESA-N -1 0 310.372 -0.041 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCC[C@@H](C)CC(=O)[O-] ZINC000547591881 283745856 /nfs/dbraw/zinc/74/58/56/283745856.db2.gz HESNXSOEAQLZKL-SECBINFHSA-N -1 0 310.372 -0.183 20 0 DBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cnc2n1CCC2 ZINC000547588389 283745860 /nfs/dbraw/zinc/74/58/60/283745860.db2.gz WSISUTROLZHHNJ-SECBINFHSA-N -1 0 317.367 -0.325 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000547594866 283745971 /nfs/dbraw/zinc/74/59/71/283745971.db2.gz NRMHTJGXJCTUOO-SECBINFHSA-N -1 0 310.372 -0.185 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])c[nH]1 ZINC000547552095 283743507 /nfs/dbraw/zinc/74/35/07/283743507.db2.gz CSLHMZIMUKOKOQ-DTWKUNHWSA-N -1 0 303.340 -0.124 20 0 DBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)CC1CCC1 ZINC000547598182 283746552 /nfs/dbraw/zinc/74/65/52/283746552.db2.gz WXJYJOKCGYNRPO-ZJUUUORDSA-N -1 0 304.368 -0.233 20 0 DBADRM Nc1cccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c1 ZINC000547605026 283746596 /nfs/dbraw/zinc/74/65/96/283746596.db2.gz LSEQKRXTHNBNIB-OVWNDWIMSA-N -1 0 318.376 -0.525 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC000547870015 283755051 /nfs/dbraw/zinc/75/50/51/283755051.db2.gz ZSKJCGBCBHMCDK-LURJTMIESA-N -1 0 309.731 -0.569 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC000547900495 283757767 /nfs/dbraw/zinc/75/77/67/283757767.db2.gz RJOQLMYXRQCXHO-VWYCJHECSA-N -1 0 306.384 -0.222 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(C(=O)N3CCOCC3)C2)C1 ZINC000547925389 283759118 /nfs/dbraw/zinc/75/91/18/283759118.db2.gz WGDVMHOMEYFEGE-QWRGUYRKSA-N -1 0 311.338 -0.554 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000547872398 283755094 /nfs/dbraw/zinc/75/50/94/283755094.db2.gz BAFBJUDWWGOWOT-WPRPVWTQSA-N -1 0 303.340 -0.329 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547876641 283755630 /nfs/dbraw/zinc/75/56/30/283755630.db2.gz OENWGXMIKKBKPE-BDAKNGLRSA-N -1 0 303.340 -0.205 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000547881913 283756338 /nfs/dbraw/zinc/75/63/38/283756338.db2.gz KURTWCSDEAAYCL-JTQLQIEISA-N -1 0 313.339 -0.259 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)c2ccnn2C)C(=O)[O-])c1 ZINC000547882051 283756395 /nfs/dbraw/zinc/75/63/95/283756395.db2.gz IDMUBJQOZXXKEN-VIFPVBQESA-N -1 0 313.339 -0.643 20 0 DBADRM O=C([O-])C[C@@H](NS(=O)(=O)N1CCOCC1)C1CCOCC1 ZINC000547935355 283760573 /nfs/dbraw/zinc/76/05/73/283760573.db2.gz BJVDGWDTUSYOMA-LLVKDONJSA-N -1 0 322.383 -0.577 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000548241688 283772350 /nfs/dbraw/zinc/77/23/50/283772350.db2.gz SQKXJTYZRKAAON-LPEHRKFASA-N -1 0 310.372 -0.628 20 0 DBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)CCCC(=O)OC ZINC000548243958 283772379 /nfs/dbraw/zinc/77/23/79/283772379.db2.gz ZEMNYMILHOVTHM-VIFPVBQESA-N -1 0 311.356 -0.309 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000548256701 283772840 /nfs/dbraw/zinc/77/28/40/283772840.db2.gz FFHNNWCJVDCODK-VXAXSWHGSA-N -1 0 313.397 -0.741 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000548201356 283769684 /nfs/dbraw/zinc/76/96/84/283769684.db2.gz LKUYMWTZKHVNHK-UHFFFAOYSA-N -1 0 308.337 -0.961 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])c1C ZINC000548214618 283770733 /nfs/dbraw/zinc/77/07/33/283770733.db2.gz PJHZSXHDGVOXLA-SECBINFHSA-N -1 0 305.356 -0.102 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000548223670 283771374 /nfs/dbraw/zinc/77/13/74/283771374.db2.gz PFKZMRAPWPYUSV-UWVGGRQHSA-N -1 0 319.383 -0.762 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)CCNS(=O)(=O)CC ZINC000548237282 283771870 /nfs/dbraw/zinc/77/18/70/283771870.db2.gz WNBJTDTVPZYYEB-MRVPVSSYSA-N -1 0 316.401 -0.950 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000548230888 283771886 /nfs/dbraw/zinc/77/18/86/283771886.db2.gz NVVYLSXCFUYWRY-RKDXNWHRSA-N -1 0 303.340 -0.328 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)c1ccc2c(c1)COC2 ZINC000548233375 283771904 /nfs/dbraw/zinc/77/19/04/283771904.db2.gz IRZKMVLPBDAZNT-UHFFFAOYSA-N -1 0 301.320 -0.216 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)nc1)C(=O)[O-] ZINC000548552594 283784834 /nfs/dbraw/zinc/78/48/34/283784834.db2.gz VATJVPDJAWBUSO-VIFPVBQESA-N -1 0 318.307 -0.754 20 0 DBADRM CC(C)OCCS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000548571331 283785023 /nfs/dbraw/zinc/78/50/23/283785023.db2.gz AZOGQWJFZKGZSV-VHSXEESVSA-N -1 0 322.383 -0.608 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CCOCC1 ZINC000548569565 283785250 /nfs/dbraw/zinc/78/52/50/283785250.db2.gz FUAFKTSUFRLECL-JTQLQIEISA-N -1 0 317.367 -0.032 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000548530127 283782494 /nfs/dbraw/zinc/78/24/94/283782494.db2.gz QWCCNJJGZGNWIN-SCZZXKLOSA-N -1 0 309.340 -0.651 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000548531823 283782993 /nfs/dbraw/zinc/78/29/93/283782993.db2.gz XYNUYJGFNUXYQF-ZCFIWIBFSA-N -1 0 319.726 -0.060 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)C1 ZINC000548532807 283783153 /nfs/dbraw/zinc/78/31/53/283783153.db2.gz NPVRCFUKBZGZGX-SCZZXKLOSA-N -1 0 302.356 -0.278 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)C[C@@H]2CCCO2)C(=O)[O-])c1 ZINC000548537257 283783806 /nfs/dbraw/zinc/78/38/06/283783806.db2.gz PIFDRNDZBXRCQS-WDEREUQCSA-N -1 0 317.367 -0.257 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])C[C@H](C)O1 ZINC000548683921 283788796 /nfs/dbraw/zinc/78/87/96/283788796.db2.gz RWMHPSZAXYRARW-JFGNBEQYSA-N -1 0 324.399 -0.597 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])C[C@@H](C)O1 ZINC000548683919 283788988 /nfs/dbraw/zinc/78/89/88/283788988.db2.gz RWMHPSZAXYRARW-CKYFFXLPSA-N -1 0 324.399 -0.597 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)C1 ZINC000548576842 283785721 /nfs/dbraw/zinc/78/57/21/283785721.db2.gz RFDOMUDWJXAGRF-BBBLOLIVSA-N -1 0 319.383 -0.777 20 0 DBADRM Cn1[n-]nnc1=N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000548872426 283795748 /nfs/dbraw/zinc/79/57/48/283795748.db2.gz RGMOEVHROWEWET-NSHDSACASA-N -1 0 302.338 -0.276 20 0 DBADRM COc1cncc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000548836478 283795238 /nfs/dbraw/zinc/79/52/38/283795238.db2.gz LSMSDHNTEMHCLD-LLVKDONJSA-N -1 0 302.308 -0.388 20 0 DBADRM Cn1nccc1[C@H]1[C@H](N=c2nn[n-]n2C)CC(=O)N1C1CC1 ZINC000551920644 283908143 /nfs/dbraw/zinc/90/81/43/283908143.db2.gz WNEYMERMUMLIHO-BXKDBHETSA-N -1 0 302.342 -0.718 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)[O-] ZINC000554432729 283933026 /nfs/dbraw/zinc/93/30/26/283933026.db2.gz SNVODAYZNPWRSJ-WCBMZHEXSA-N -1 0 305.356 -0.379 20 0 DBADRM COCc1ccccc1CS(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000554429793 283933096 /nfs/dbraw/zinc/93/30/96/283933096.db2.gz JPWBYKKLMVHSOV-NSHDSACASA-N -1 0 303.336 -0.302 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCc3onc(C(=O)[O-])c3C2)c1 ZINC000554785387 283938873 /nfs/dbraw/zinc/93/88/73/283938873.db2.gz LWPOVTVCJFWYHN-UHFFFAOYSA-N -1 0 312.307 -0.147 20 0 DBADRM CN(C)c1cccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000559136709 283980655 /nfs/dbraw/zinc/98/06/55/283980655.db2.gz UWLQPFDWGTXJHA-UHFFFAOYSA-N -1 0 315.351 -0.768 20 0 DBADRM O=c1[n-]c(CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)n[nH]1 ZINC000561783862 284003569 /nfs/dbraw/zinc/00/35/69/284003569.db2.gz DWYPGAGCXRTNCN-SECBINFHSA-N -1 0 315.399 -0.196 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000563069897 284021694 /nfs/dbraw/zinc/02/16/94/284021694.db2.gz XXCRMVGOCIPDDM-OUAUKWLOSA-N -1 0 322.383 -0.484 20 0 DBADRM NS(=O)(=O)c1ccccc1CNC(=O)CSCC(=O)[O-] ZINC000563131189 284025478 /nfs/dbraw/zinc/02/54/78/284025478.db2.gz VWKWBSGXXFAWJJ-UHFFFAOYSA-N -1 0 318.376 -0.232 20 0 DBADRM CO[C@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2cnn(C)c2)C1 ZINC000563079368 284021845 /nfs/dbraw/zinc/02/18/45/284021845.db2.gz FNIDCDZBCBHKBV-IUCAKERBSA-N -1 0 303.340 -0.327 20 0 DBADRM CO[C@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)N2CCOCC2)C1 ZINC000563081258 284021895 /nfs/dbraw/zinc/02/18/95/284021895.db2.gz OQPDDAHXCVKLKT-UWVGGRQHSA-N -1 0 308.356 -0.873 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1ccc(N(C)C)nc1)C(=O)[O-] ZINC000563082308 284021979 /nfs/dbraw/zinc/02/19/79/284021979.db2.gz XDCLZJGSEIKVTP-SECBINFHSA-N -1 0 303.340 -0.475 20 0 DBADRM CCOc1ccncc1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC000563225765 284029289 /nfs/dbraw/zinc/02/92/89/284029289.db2.gz GMFBIGNJNRPRIE-QMMMGPOBSA-N -1 0 304.324 -0.406 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C[C@@H](C)CC(=O)[O-] ZINC000563422252 284037939 /nfs/dbraw/zinc/03/79/39/284037939.db2.gz FGJXTIVUUASEMG-NXEZZACHSA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@H](O)[C@@H](NS(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C(=O)[O-] ZINC000563521981 284041589 /nfs/dbraw/zinc/04/15/89/284041589.db2.gz XSGGIRRNHAXGKP-DKCNOQQISA-N -1 0 317.367 -0.107 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C(=O)[O-] ZINC000563537653 284042742 /nfs/dbraw/zinc/04/27/42/284042742.db2.gz UWZRLPQKZMGHHM-JVUFJMBOSA-N -1 0 317.367 -0.020 20 0 DBADRM NC(=O)[C@@]1(NS(=O)(=O)c2csc(C(=O)[O-])c2)CCOC1 ZINC000563721088 284047459 /nfs/dbraw/zinc/04/74/59/284047459.db2.gz DNZGFRAKJALSHL-SNVBAGLBSA-N -1 0 320.348 -0.631 20 0 DBADRM NC(=O)[C@]1(NS(=O)(=O)c2csc(C(=O)[O-])c2)CCOC1 ZINC000563721072 284047607 /nfs/dbraw/zinc/04/76/07/284047607.db2.gz DNZGFRAKJALSHL-JTQLQIEISA-N -1 0 320.348 -0.631 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000563621238 284044964 /nfs/dbraw/zinc/04/49/64/284044964.db2.gz UQODEBZEJUZQHX-JFGNBEQYSA-N -1 0 324.399 -0.190 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000564084345 284054872 /nfs/dbraw/zinc/05/48/72/284054872.db2.gz JLGVUJSYRNDRBF-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM CCN(C1CCN(C(=O)[C@@H](C)C(=O)[O-])CC1)S(C)(=O)=O ZINC000564209938 284056676 /nfs/dbraw/zinc/05/66/76/284056676.db2.gz NVHLXHGJZXHIGB-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM COc1cc(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])nn1C ZINC000564321845 284058197 /nfs/dbraw/zinc/05/81/97/284058197.db2.gz WCFKGJSTKBUQHG-UHFFFAOYSA-N -1 0 312.326 -0.016 20 0 DBADRM Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)nn1 ZINC000564627567 284063517 /nfs/dbraw/zinc/06/35/17/284063517.db2.gz GNSSLTJAJSWYCT-UHFFFAOYSA-N -1 0 309.307 -0.053 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000564638126 284063582 /nfs/dbraw/zinc/06/35/82/284063582.db2.gz VGTMPSDISVLYNY-KXUCPTDWSA-N -1 0 310.372 -0.580 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cc(CN2CCCC2)on1 ZINC000564645503 284064074 /nfs/dbraw/zinc/06/40/74/284064074.db2.gz CTRMRRNEUZABLQ-UHFFFAOYSA-N -1 0 307.310 -0.081 20 0 DBADRM NS(=O)(=O)c1cccc(CNC(=O)NCCCC(=O)[O-])c1 ZINC000564654606 284064084 /nfs/dbraw/zinc/06/40/84/284064084.db2.gz GPFRUGQXUZHCSJ-UHFFFAOYSA-N -1 0 315.351 -0.002 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N(CC(=O)[O-])C1CC1 ZINC000564839237 284068816 /nfs/dbraw/zinc/06/88/16/284068816.db2.gz DCASKSSXSLUPKO-UHFFFAOYSA-N -1 0 310.372 -0.625 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@@H]2C[C@H]2C2CC2)CCS1(=O)=O ZINC000564842428 284068892 /nfs/dbraw/zinc/06/88/92/284068892.db2.gz FUFUAECZFBHPGG-GARJFASQSA-N -1 0 316.379 -0.074 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NCCOC[C@@H]1CCCO1 ZINC000564922578 284071769 /nfs/dbraw/zinc/07/17/69/284071769.db2.gz AEMWUIZVIHBRTC-WDEREUQCSA-N -1 0 322.383 -0.435 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCOC[C@H]2[C@H]2CCCO2)nn1 ZINC000565032438 284078531 /nfs/dbraw/zinc/07/85/31/284078531.db2.gz BEHAMNNTLJEILG-WDEREUQCSA-N -1 0 310.310 -0.617 20 0 DBADRM Cc1c([C@H](NS(=O)(=O)[C@H]2CCO[C@H]2C)C(=O)[O-])cnn1C ZINC000565056560 284080129 /nfs/dbraw/zinc/08/01/29/284080129.db2.gz QVMDNICJYFEKAU-LSJOCFKGSA-N -1 0 317.367 -0.049 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(c2ncncc2C(=O)[O-])C1 ZINC000565037719 284079133 /nfs/dbraw/zinc/07/91/33/284079133.db2.gz AYSMUIBUZNOEHA-SECBINFHSA-N -1 0 314.367 -0.060 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000565043299 284079580 /nfs/dbraw/zinc/07/95/80/284079580.db2.gz HELVZQGMLUXSLI-NSHDSACASA-N -1 0 320.301 -0.112 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)Cc2nccn2C)C[C@@H]1C(=O)[O-] ZINC000565363847 284093418 /nfs/dbraw/zinc/09/34/18/284093418.db2.gz VPUNVBPQQYVZSD-QWRGUYRKSA-N -1 0 322.365 -0.052 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)C[C@@]12CCOC2 ZINC000565518219 284097497 /nfs/dbraw/zinc/09/74/97/284097497.db2.gz CUVZCMWTZSJCHR-NTZNESFSSA-N -1 0 319.379 -0.082 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCCC(=O)N2CCOCC2)cn1 ZINC000565539415 284098557 /nfs/dbraw/zinc/09/85/57/284098557.db2.gz WWWCZXXWYDBDSZ-UHFFFAOYSA-N -1 0 308.294 -0.847 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)c2cnc(C(=O)[O-])cn2)CCO1 ZINC000565833231 284105547 /nfs/dbraw/zinc/10/55/47/284105547.db2.gz SQDXHZJQDJFBQS-QMMMGPOBSA-N -1 0 309.278 -0.421 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cnc(N)cn2)C1=O ZINC000565704282 284102398 /nfs/dbraw/zinc/10/23/98/284102398.db2.gz BBJRIPDIJYDCBX-KWQFWETISA-N -1 0 321.337 -0.501 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cnc(N)cn2)C1=O ZINC000565704266 284102483 /nfs/dbraw/zinc/10/24/83/284102483.db2.gz BBJRIPDIJYDCBX-GZMMTYOYSA-N -1 0 321.337 -0.501 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cnc(N)cn2)C1=O ZINC000565704279 284102513 /nfs/dbraw/zinc/10/25/13/284102513.db2.gz BBJRIPDIJYDCBX-KCJUWKMLSA-N -1 0 321.337 -0.501 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1CC(=O)N1CCCCCC1 ZINC000333599681 304154037 /nfs/dbraw/zinc/15/40/37/304154037.db2.gz QHCKLZNFALHZRM-JTQLQIEISA-N -1 0 323.353 -0.345 20 0 DBADRM CCN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)[C@@H](C)CS(C)(=O)=O ZINC000262272522 284214277 /nfs/dbraw/zinc/21/42/77/284214277.db2.gz HFUYBNLZAREUBW-LPEHRKFASA-N -1 0 307.368 -0.100 20 0 DBADRM CCN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)[C@H](C)CS(C)(=O)=O ZINC000262272520 284214322 /nfs/dbraw/zinc/21/43/22/284214322.db2.gz HFUYBNLZAREUBW-KXUCPTDWSA-N -1 0 307.368 -0.100 20 0 DBADRM CN(C)C(=O)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000013089245 181827070 /nfs/dbraw/zinc/82/70/70/181827070.db2.gz IBGMDUIGZMZNDC-UHFFFAOYSA-N -1 0 304.299 -0.110 20 0 DBADRM CC(C)NC(=O)CNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013184667 181836954 /nfs/dbraw/zinc/83/69/54/181836954.db2.gz NLRSYWPLCPGICY-UHFFFAOYSA-N -1 0 316.335 -0.107 20 0 DBADRM CC(=O)NCCNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013197806 181837906 /nfs/dbraw/zinc/83/79/06/181837906.db2.gz NKXKZKQAFWWINJ-UHFFFAOYSA-N -1 0 302.308 -0.495 20 0 DBADRM CCc1ccccc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000276766520 288591922 /nfs/dbraw/zinc/59/19/22/288591922.db2.gz AZCZPNWVAZLWJZ-SECBINFHSA-N -1 0 300.336 -0.144 20 0 DBADRM C[C@@H](O)CN1CCN(S(=O)(=O)[N-]CC(F)(F)F)[C@@H](C)C1 ZINC000195461336 296186643 /nfs/dbraw/zinc/18/66/43/296186643.db2.gz JIAVPGMAOKWULT-DTWKUNHWSA-N -1 0 319.349 -0.230 20 0 DBADRM Cc1c([C@H](NS(=O)(=O)N2CCCC2)C(=O)[O-])cnn1C ZINC000530435398 374257937 /nfs/dbraw/zinc/25/79/37/374257937.db2.gz ZJHNKMAIPYRKLA-JTQLQIEISA-N -1 0 302.356 -0.216 20 0 DBADRM N#Cc1cncc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC000319968515 374259253 /nfs/dbraw/zinc/25/92/53/374259253.db2.gz RBXVLODBIDYOPK-NSHDSACASA-N -1 0 321.318 -0.349 20 0 DBADRM CC[C@H](NC(=O)CSCC(=O)N1CCOCC1)C(=O)[O-] ZINC000035409121 374268125 /nfs/dbraw/zinc/26/81/25/374268125.db2.gz PNFKZFBRYCSJPU-VIFPVBQESA-N -1 0 304.368 -0.442 20 0 DBADRM Cc1nc(CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)no1 ZINC000231787818 374238556 /nfs/dbraw/zinc/23/85/56/374238556.db2.gz IKVLOQPWZFUBJK-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM CCCc1nc(=NC2CN(S(=O)(=O)N(C)C)C2)s[n-]1 ZINC000624709488 374306357 /nfs/dbraw/zinc/30/63/57/374306357.db2.gz VVTCMCMOOOCSMA-UHFFFAOYSA-N -1 0 305.429 -0.185 20 0 DBADRM CN1C[C@@H](NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1=O ZINC000625047570 374338238 /nfs/dbraw/zinc/33/82/38/374338238.db2.gz MGFQQJWMMHUAOH-VIFPVBQESA-N -1 0 312.351 -0.586 20 0 DBADRM CCOc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1 ZINC000036965410 374341885 /nfs/dbraw/zinc/34/18/85/374341885.db2.gz JNSPDOPIQOCXHY-SNVBAGLBSA-N -1 0 316.335 -0.308 20 0 DBADRM Cc1c([C@@H](NS(=O)(=O)N2CCOCC2)C(=O)[O-])cnn1C ZINC000530542060 374392220 /nfs/dbraw/zinc/39/22/20/374392220.db2.gz OQGWBQFWZKQRJH-SNVBAGLBSA-N -1 0 318.355 -0.979 20 0 DBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634654988 374402730 /nfs/dbraw/zinc/40/27/30/374402730.db2.gz BDOIGZPITJBZIS-GARJFASQSA-N -1 0 304.368 -0.394 20 0 DBADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)NCCNS(C)(=O)=O ZINC000233415631 374378348 /nfs/dbraw/zinc/37/83/48/374378348.db2.gz CPAQBYKWLFRPDS-GFCCVEGCSA-N -1 0 321.399 -0.036 20 0 DBADRM CO[C@H](CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)CC(=O)[O-] ZINC000300147717 374388463 /nfs/dbraw/zinc/38/84/63/374388463.db2.gz IUKDYBSKNZRENX-BBBLOLIVSA-N -1 0 310.372 -0.580 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NC2(C(=O)[O-])CCC2)cn1C ZINC000164923891 374433119 /nfs/dbraw/zinc/43/31/19/374433119.db2.gz AWAGPPJBBPXWLA-UHFFFAOYSA-N -1 0 315.351 -0.330 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000049606966 374413028 /nfs/dbraw/zinc/41/30/28/374413028.db2.gz DOOWFJXWJNKTJN-UWVGGRQHSA-N -1 0 310.372 -0.627 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](CN2CCOC[C@@H]2C(=O)[O-])C1 ZINC000093698274 374424271 /nfs/dbraw/zinc/42/42/71/374424271.db2.gz DMALMJWKMHKOJB-WDEREUQCSA-N -1 0 306.384 -0.557 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114149 374425611 /nfs/dbraw/zinc/42/56/11/374425611.db2.gz ZDLPLTAWIOJSBX-UHFFFAOYSA-N -1 0 304.299 -0.110 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CC1CC1 ZINC000124645019 374428198 /nfs/dbraw/zinc/42/81/98/374428198.db2.gz PAEKRZWIJGPUCQ-VIFPVBQESA-N -1 0 311.381 -0.700 20 0 DBADRM CCN(CCCNC(=O)CSCC(=O)[O-])S(C)(=O)=O ZINC000128198183 374430564 /nfs/dbraw/zinc/43/05/64/374430564.db2.gz LPJYCPRSHUCVEP-UHFFFAOYSA-N -1 0 312.413 -0.408 20 0 DBADRM COCC[N@@H+]1CCC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000616407680 374457951 /nfs/dbraw/zinc/45/79/51/374457951.db2.gz DPFIPTOAJDAAHR-NSHDSACASA-N -1 0 319.365 -0.137 20 0 DBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N2CC(C(=O)[O-])C2)c1 ZINC000071173287 374480934 /nfs/dbraw/zinc/48/09/34/374480934.db2.gz VCKXDXPODBAXMI-UHFFFAOYSA-N -1 0 320.348 -0.961 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(O)cc1O ZINC000617887817 374469643 /nfs/dbraw/zinc/46/96/43/374469643.db2.gz IOUKNHJMCLGQQA-ONGXEEELSA-N -1 0 301.320 -0.360 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)[O-] ZINC000070141615 374471585 /nfs/dbraw/zinc/47/15/85/374471585.db2.gz NOJGGVIIIKSZCP-ZETCQYMHSA-N -1 0 305.312 -0.679 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000070141574 374472673 /nfs/dbraw/zinc/47/26/73/374472673.db2.gz JGLORZIBDAYITR-ZETCQYMHSA-N -1 0 306.296 -0.414 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CO1 ZINC000616496607 374531484 /nfs/dbraw/zinc/53/14/84/374531484.db2.gz KLMYSSWFSKXFTH-HTQZYQBOSA-N -1 0 300.336 -0.053 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC000315305114 374559891 /nfs/dbraw/zinc/55/98/91/374559891.db2.gz KOHZDVNSAKZBFP-RNCFNFMXSA-N -1 0 301.343 -0.404 20 0 DBADRM CO[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)[C@@](C)(C(=O)[O-])C1 ZINC000634693843 374581612 /nfs/dbraw/zinc/58/16/12/374581612.db2.gz IXLVNGSSPLHONU-IINYFYTJSA-N -1 0 311.338 -0.852 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)C[C@@H]1C(=O)[O-] ZINC000634698191 374591656 /nfs/dbraw/zinc/59/16/56/374591656.db2.gz CMJHAGYZIQUVGO-YFKTTZPYSA-N -1 0 310.350 -0.340 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000620198091 374618829 /nfs/dbraw/zinc/61/88/29/374618829.db2.gz PYDNUWZNCMAMDI-YFKPBYRVSA-N -1 0 321.384 -0.237 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000090262822 374650354 /nfs/dbraw/zinc/65/03/54/374650354.db2.gz JLGAACODTQMEMJ-JTQLQIEISA-N -1 0 317.319 -0.413 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000090262667 374650410 /nfs/dbraw/zinc/65/04/10/374650410.db2.gz KFDHSRDABNBYTR-VIFPVBQESA-N -1 0 303.292 -0.803 20 0 DBADRM C[C@H]1C(=O)Nc2ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc21 ZINC000090262598 374650684 /nfs/dbraw/zinc/65/06/84/374650684.db2.gz UTIDPQZUNRVCIL-LHLIQPBNSA-N -1 0 314.319 -0.534 20 0 DBADRM CS(=O)(=O)[N-]c1ncn(CC(=O)NCc2ccccc2)n1 ZINC000130025906 374732824 /nfs/dbraw/zinc/73/28/24/374732824.db2.gz HKVJOYSRZVHIHB-UHFFFAOYSA-N -1 0 309.351 -0.034 20 0 DBADRM O=C([O-])C1CCC(NC(=O)CN2CCCS2(=O)=O)CC1 ZINC000262665695 374743096 /nfs/dbraw/zinc/74/30/96/374743096.db2.gz ONDOZRNPDIHBIZ-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM COCC[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000052785896 374797879 /nfs/dbraw/zinc/79/78/79/374797879.db2.gz UXWQNQOOOLADIP-AEJSXWLSSA-N -1 0 310.372 -0.580 20 0 DBADRM O=C(c1ccccc1O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000092643077 374805576 /nfs/dbraw/zinc/80/55/76/374805576.db2.gz XCFCLSASBHPSFS-UHFFFAOYSA-N -1 0 303.322 -0.238 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@H](C(=O)[O-])C2CC2)C1 ZINC000400112886 374809767 /nfs/dbraw/zinc/80/97/67/374809767.db2.gz GSDQOLBBKSJAIY-UWVGGRQHSA-N -1 0 319.383 -0.427 20 0 DBADRM CC(C)(NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400123975 374814014 /nfs/dbraw/zinc/81/40/14/374814014.db2.gz NEJIQVKELYNMDI-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM COCCS(=O)(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000127049441 374767452 /nfs/dbraw/zinc/76/74/52/374767452.db2.gz WREGAOKLRMCBLF-QMMMGPOBSA-N -1 0 311.356 -0.263 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)CC(C)(C)C(=O)OC)C(=O)OC ZINC000588896980 374770814 /nfs/dbraw/zinc/77/08/14/374770814.db2.gz NLTAOUXZFYNATN-QMMMGPOBSA-N -1 0 311.356 -0.707 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2nnn[n-]2)cc1 ZINC000600493554 374782133 /nfs/dbraw/zinc/78/21/33/374782133.db2.gz BWFRFOYYSVVHMW-VIFPVBQESA-N -1 0 324.366 -0.509 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)c1cccc2n[nH]nc21 ZINC000600495696 374783686 /nfs/dbraw/zinc/78/36/86/374783686.db2.gz WNJBTLDLFVYNKO-UHFFFAOYSA-N -1 0 319.321 -0.243 20 0 DBADRM COCCN1CCCN(S(=O)(=O)c2ncc[n-]2)CC1=O ZINC000632265313 374793863 /nfs/dbraw/zinc/79/38/63/374793863.db2.gz SNAAXBXURDVILU-UHFFFAOYSA-N -1 0 302.356 -0.721 20 0 DBADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)CN1CCCS1(=O)=O ZINC000634806389 374865390 /nfs/dbraw/zinc/86/53/90/374865390.db2.gz ZONUXOLXOHWKKA-JTQLQIEISA-N -1 0 306.384 -0.020 20 0 DBADRM COCCN1C[C@H](C(=O)NC2(c3nnn[n-]3)CCCC2)CC1=O ZINC000605531731 374881753 /nfs/dbraw/zinc/88/17/53/374881753.db2.gz NDRWQWXFLDWXTQ-SNVBAGLBSA-N -1 0 322.369 -0.420 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400191485 374890352 /nfs/dbraw/zinc/89/03/52/374890352.db2.gz MBDSCCFWTHEBFW-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CC(C)C[C@@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400215343 374891986 /nfs/dbraw/zinc/89/19/86/374891986.db2.gz GRJVXLVCZLBZSF-NXEZZACHSA-N -1 0 321.399 -0.181 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400229624 374893425 /nfs/dbraw/zinc/89/34/25/374893425.db2.gz LSBISPXYPMCAKU-GUBZILKMSA-N -1 0 321.399 -0.181 20 0 DBADRM CCC[C@](C)(NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400231364 374894831 /nfs/dbraw/zinc/89/48/31/374894831.db2.gz MCQMVHGDSGKIPF-CABZTGNLSA-N -1 0 321.399 -0.037 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400231506 374895798 /nfs/dbraw/zinc/89/57/98/374895798.db2.gz MDSLPWHKUKINSI-UWVGGRQHSA-N -1 0 321.399 -0.085 20 0 DBADRM CCOC(=O)CCS(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000600657376 374836188 /nfs/dbraw/zinc/83/61/88/374836188.db2.gz FYUHUVRZXPDGSL-UHFFFAOYSA-N -1 0 317.323 -0.453 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC000600657873 374836910 /nfs/dbraw/zinc/83/69/10/374836910.db2.gz KHYVIWNSWUEDDB-JOYOIKCWSA-N -1 0 323.367 -0.167 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000600661266 374837117 /nfs/dbraw/zinc/83/71/17/374837117.db2.gz VCJWAVLELCJSNQ-LNLATYFQSA-N -1 0 323.367 -0.311 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cnc(C)n1C)C(=O)[O-] ZINC000600652209 374838811 /nfs/dbraw/zinc/83/88/11/374838811.db2.gz OOAOYMCDOUEPSO-QMMMGPOBSA-N -1 0 319.339 -0.587 20 0 DBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2cnc(C)n2C)cn1 ZINC000600647934 374838873 /nfs/dbraw/zinc/83/88/73/374838873.db2.gz UUXWMILCIGOXJK-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1cnc(C)n1C)C(=O)[O-] ZINC000600651846 374838919 /nfs/dbraw/zinc/83/89/19/374838919.db2.gz KESXWYDYQPTMID-ZETCQYMHSA-N -1 0 305.312 -0.977 20 0 DBADRM O=C([O-])CSCC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000600873956 374863090 /nfs/dbraw/zinc/86/30/90/374863090.db2.gz IYJPTOJVPWKKRM-UHFFFAOYSA-N -1 0 322.408 -0.559 20 0 DBADRM CC[C@@](C)(NC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000400319242 374915875 /nfs/dbraw/zinc/91/58/75/374915875.db2.gz XLRVRKXHWMXVLA-GFCCVEGCSA-N -1 0 321.399 -0.037 20 0 DBADRM CC[C@](C)(NC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000400319244 374915902 /nfs/dbraw/zinc/91/59/02/374915902.db2.gz XLRVRKXHWMXVLA-LBPRGKRZSA-N -1 0 321.399 -0.037 20 0 DBADRM Cc1nc(=NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)s[n-]1 ZINC000625887791 374922131 /nfs/dbraw/zinc/92/21/31/374922131.db2.gz YTWJBOSNZGLFJB-MRVPVSSYSA-N -1 0 306.351 -0.006 20 0 DBADRM C[C@H](CNC(=O)CSCC(=O)N1CCOCC1)C(=O)[O-] ZINC000054309973 374929001 /nfs/dbraw/zinc/92/90/01/374929001.db2.gz WUAOFQNTNRMOLD-SECBINFHSA-N -1 0 304.368 -0.585 20 0 DBADRM CCn1nc(C)cc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000625949399 374942951 /nfs/dbraw/zinc/94/29/51/374942951.db2.gz FSRRVQWFOWBZBV-VIFPVBQESA-N -1 0 310.310 -0.538 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000625955236 374947034 /nfs/dbraw/zinc/94/70/34/374947034.db2.gz WZHLZQIJWBMPBQ-BDAKNGLRSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)ncn1 ZINC000625955320 374947869 /nfs/dbraw/zinc/94/78/69/374947869.db2.gz XWXHTNDTYIWWPS-RKDXNWHRSA-N -1 0 322.321 -0.007 20 0 DBADRM C[C@](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)(C(=O)[O-])C1CC1 ZINC000400288377 374904030 /nfs/dbraw/zinc/90/40/30/374904030.db2.gz KKGCJQUIKWGTNE-JOYOIKCWSA-N -1 0 319.383 -0.427 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-])cn1C ZINC000042702498 374907996 /nfs/dbraw/zinc/90/79/96/374907996.db2.gz FUKTWGDBSAJMDD-MRVPVSSYSA-N -1 0 317.367 -0.274 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)[O-])cn2)C[C@H](C)O1 ZINC000368128866 375002540 /nfs/dbraw/zinc/00/25/40/375002540.db2.gz KQFXTEHLAPEHSG-IUCAKERBSA-N -1 0 310.310 -0.458 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCCNC2=O)cc1C(=O)[O-] ZINC000050397491 375012047 /nfs/dbraw/zinc/01/20/47/375012047.db2.gz FPWKNMSPKUNJGL-MRVPVSSYSA-N -1 0 301.324 -0.720 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])C1 ZINC000634893159 375070097 /nfs/dbraw/zinc/07/00/97/375070097.db2.gz GUHFLNYHWRHDNK-VXGBXAGGSA-N -1 0 310.350 -0.031 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC(=O)[O-] ZINC000262695115 375070245 /nfs/dbraw/zinc/07/02/45/375070245.db2.gz HOPWOJNHKNTKHA-ZETCQYMHSA-N -1 0 304.299 -0.307 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)CCN1S(C)(=O)=O ZINC000634911303 375072630 /nfs/dbraw/zinc/07/26/30/375072630.db2.gz VPKDHFCLBVDFGW-IVZWLZJFSA-N -1 0 318.395 -0.165 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CC1 ZINC000634924532 375075580 /nfs/dbraw/zinc/07/55/80/375075580.db2.gz BZJCDQBLBXLFNM-ZJUUUORDSA-N -1 0 307.354 -0.180 20 0 DBADRM C[C@@H](NC(=O)c1cccc(CN2C(=O)CNC2=O)c1)C(=O)[O-] ZINC000262718015 375088809 /nfs/dbraw/zinc/08/88/09/375088809.db2.gz SXCGASILIFVWBA-MRVPVSSYSA-N -1 0 305.290 -0.059 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000262733938 375127995 /nfs/dbraw/zinc/12/79/95/375127995.db2.gz CPCZAMZGLDLRBW-SNVBAGLBSA-N -1 0 310.372 -0.832 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000635522199 375137641 /nfs/dbraw/zinc/13/76/41/375137641.db2.gz VFAXMKCSSBJFHT-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2COC[C@@H]2OC)C1 ZINC000635517673 375138129 /nfs/dbraw/zinc/13/81/29/375138129.db2.gz IMJTVRBMZITNCY-NRUUGDAUSA-N -1 0 302.327 -0.467 20 0 DBADRM C[C@H]1OCC[C@]12CN(C(=O)NCCOCC(=O)[O-])CCO2 ZINC000635525501 375140265 /nfs/dbraw/zinc/14/02/65/375140265.db2.gz ZCVDYWFGHYMYBC-MFKMUULPSA-N -1 0 302.327 -0.323 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262780649 375143063 /nfs/dbraw/zinc/14/30/63/375143063.db2.gz OCQFZBXKAHASMZ-IUCAKERBSA-N -1 0 322.383 -0.738 20 0 DBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000091591077 375172260 /nfs/dbraw/zinc/17/22/60/375172260.db2.gz IXKPXEQOLHIUQC-NSHDSACASA-N -1 0 308.386 -0.774 20 0 DBADRM Cn1cc(C(=O)NCC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC000091580015 375172376 /nfs/dbraw/zinc/17/23/76/375172376.db2.gz KWGOKHQWKDCRIE-UHFFFAOYSA-N -1 0 319.369 -0.527 20 0 DBADRM C[C@H](C(=O)N1CCCC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000091591078 375173142 /nfs/dbraw/zinc/17/31/42/375173142.db2.gz IXKPXEQOLHIUQC-LLVKDONJSA-N -1 0 308.386 -0.774 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c1=O ZINC000262726796 375113117 /nfs/dbraw/zinc/11/31/17/375113117.db2.gz GTUIUBLBCVTDIF-MEBBXXQBSA-N -1 0 323.349 -0.303 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000390235731 375116517 /nfs/dbraw/zinc/11/65/17/375116517.db2.gz IPGFBAHNKJVSJL-UWVGGRQHSA-N -1 0 321.399 -0.322 20 0 DBADRM CN(C)C(=O)CCN1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC000635688675 375242593 /nfs/dbraw/zinc/24/25/93/375242593.db2.gz HKALOPFYPDAYET-UHFFFAOYSA-N -1 0 323.401 -0.855 20 0 DBADRM COC(=O)c1cn(CCNC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])nn1 ZINC000585728237 375243190 /nfs/dbraw/zinc/24/31/90/375243190.db2.gz LLTZYRLDUUWZOW-NXEZZACHSA-N -1 0 322.321 -0.152 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC1(C(=O)[O-])CC1 ZINC000203655183 375195139 /nfs/dbraw/zinc/19/51/39/375195139.db2.gz ZQWCQQPOYSWSIU-MRVPVSSYSA-N -1 0 306.340 -0.535 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)[O-] ZINC000216276133 375197100 /nfs/dbraw/zinc/19/71/00/375197100.db2.gz NOJGGVIIIKSZCP-SSDOTTSWSA-N -1 0 305.312 -0.679 20 0 DBADRM COc1cccc(C(=O)NCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000262760445 375206488 /nfs/dbraw/zinc/20/64/88/375206488.db2.gz KMRMWDZNSKGZCB-GFCCVEGCSA-N -1 0 322.317 -0.263 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2CSCN2)s1 ZINC000360203516 375278824 /nfs/dbraw/zinc/27/88/24/375278824.db2.gz GVXPXZZYWFWOAX-BYPYZUCNSA-N -1 0 309.398 -0.489 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2cccc(CC(=O)OC)n2)c1[O-] ZINC000586871496 375300574 /nfs/dbraw/zinc/30/05/74/375300574.db2.gz ASSQFIIPAMGNMQ-LLVKDONJSA-N -1 0 321.289 -0.215 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CSC[C@H]1C(=O)[O-] ZINC000569722262 375306381 /nfs/dbraw/zinc/30/63/81/375306381.db2.gz XQQYURGJBMFOER-ZETCQYMHSA-N -1 0 311.381 -0.025 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCCCO[C@@H]1CCOC1 ZINC000569693939 375257124 /nfs/dbraw/zinc/25/71/24/375257124.db2.gz BXHROIUVEODHPX-SNVBAGLBSA-N -1 0 302.327 -0.721 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCC[C@H](CC(=O)[O-])C2)nn1 ZINC000569932010 375324664 /nfs/dbraw/zinc/32/46/64/375324664.db2.gz TWYWDBCXKPFYQH-SECBINFHSA-N -1 0 310.310 -0.222 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-] ZINC000570394613 375359144 /nfs/dbraw/zinc/35/91/44/375359144.db2.gz GCTSHZKZMNXKLG-NSHDSACASA-N -1 0 304.324 -0.142 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-] ZINC000570412598 375359880 /nfs/dbraw/zinc/35/98/80/375359880.db2.gz AYWUKCRWIBKYKN-VIFPVBQESA-N -1 0 317.367 -0.019 20 0 DBADRM CCC[C@H](NC(=O)[C@@H]1CCc2nnnn2CC1)c1nnn[n-]1 ZINC000572607871 375362445 /nfs/dbraw/zinc/36/24/45/375362445.db2.gz LGQYIPJSLKSEEC-BDAKNGLRSA-N -1 0 305.346 -0.204 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])c1 ZINC000570898919 375400164 /nfs/dbraw/zinc/40/01/64/375400164.db2.gz FOCUBNXFEQEHTQ-RKDXNWHRSA-N -1 0 303.340 -0.422 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NCC1CCS(=O)(=O)CC1 ZINC000570663165 375382686 /nfs/dbraw/zinc/38/26/86/375382686.db2.gz CJNDMXCWAOJYLU-UHFFFAOYSA-N -1 0 324.346 -0.203 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C3CCC3)C2)C1 ZINC000570674103 375382883 /nfs/dbraw/zinc/38/28/83/375382883.db2.gz YIEVSVBCRKZORH-RYUDHWBXSA-N -1 0 310.350 -0.053 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000262756229 375463175 /nfs/dbraw/zinc/46/31/75/375463175.db2.gz JWSJWPTZIIKDRK-UHFFFAOYSA-N -1 0 313.354 -0.610 20 0 DBADRM CCCN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000580149615 375435135 /nfs/dbraw/zinc/43/51/35/375435135.db2.gz AQIRCWDRBVIKFC-JQWIXIFHSA-N -1 0 306.384 -0.004 20 0 DBADRM O=C(NCCCNC(=O)c1cccc(O)c1)c1n[nH]c(=O)[n-]1 ZINC000588218256 375445634 /nfs/dbraw/zinc/44/56/34/375445634.db2.gz UYBONHABHSHGPL-UHFFFAOYSA-N -1 0 305.294 -0.234 20 0 DBADRM COC(=O)c1cncc(S(=O)(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000589159348 375452318 /nfs/dbraw/zinc/45/23/18/375452318.db2.gz HRMBZQCUGCHEKQ-ZETCQYMHSA-N -1 0 302.308 -0.133 20 0 DBADRM CN(C(=O)[C@@H]1CCC[C@@H]1C(=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000314296051 375495338 /nfs/dbraw/zinc/49/53/38/375495338.db2.gz FTCZPCKBWHLWCQ-AXFHLTTASA-N -1 0 318.395 -0.020 20 0 DBADRM NC(=O)CN1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000179527725 375522255 /nfs/dbraw/zinc/52/22/55/375522255.db2.gz QQWCTTYVDGVGQW-UHFFFAOYSA-N -1 0 306.366 -0.663 20 0 DBADRM O=C(N[C@H]1CCC[C@H]1CCO)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000187885098 375588359 /nfs/dbraw/zinc/58/83/59/375588359.db2.gz LRIQFOYPSKCRAZ-KWQFWETISA-N -1 0 318.333 -0.108 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)CSCC(=O)[O-])C1 ZINC000400135486 375578323 /nfs/dbraw/zinc/57/83/23/375578323.db2.gz SXNKVJDABNDAMW-MRVPVSSYSA-N -1 0 310.397 -0.656 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1n[nH]c(C)c1C(N)=O ZINC000187043075 375582184 /nfs/dbraw/zinc/58/21/84/375582184.db2.gz OQCFGGAMJMTMPZ-UHFFFAOYSA-N -1 0 312.355 -0.032 20 0 DBADRM Cc1ccccc1CCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643151758 375619609 /nfs/dbraw/zinc/61/96/09/375619609.db2.gz WCYURBSFGVFXFI-ZDUSSCGKSA-N -1 0 320.345 -0.034 20 0 DBADRM CC(C)COCCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643152647 375622792 /nfs/dbraw/zinc/62/27/92/375622792.db2.gz WPUYEXAELJSLQU-LLVKDONJSA-N -1 0 316.354 -0.523 20 0 DBADRM Cc1ccsc1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643153375 375624740 /nfs/dbraw/zinc/62/47/40/375624740.db2.gz UIWNADUVEONOCS-VIFPVBQESA-N -1 0 312.347 -0.015 20 0 DBADRM Cc1cccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000643153689 375626022 /nfs/dbraw/zinc/62/60/22/375626022.db2.gz FPRAUXAMHXULDU-GFCCVEGCSA-N -1 0 306.318 -0.077 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCS2)CCO1 ZINC000643163900 375649305 /nfs/dbraw/zinc/64/93/05/375649305.db2.gz YCHIJRPLDHBSQE-DTWKUNHWSA-N -1 0 302.352 -0.690 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2)CCO1 ZINC000643165116 375652011 /nfs/dbraw/zinc/65/20/11/375652011.db2.gz FTBQWOBUMSYYLO-YNEHKIRRSA-N -1 0 318.329 -0.029 20 0 DBADRM COCC(COC)N1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000616255221 375653694 /nfs/dbraw/zinc/65/36/94/375653694.db2.gz ZQXLCWMIDSSOGW-UHFFFAOYSA-N -1 0 312.370 -0.455 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC2Cc3ccccc3C2)CCO1 ZINC000643155306 375632467 /nfs/dbraw/zinc/63/24/67/375632467.db2.gz PNHOYQUGFAPEKP-CYBMUJFWSA-N -1 0 318.329 -0.418 20 0 DBADRM CCn1nccc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000364407948 375634188 /nfs/dbraw/zinc/63/41/88/375634188.db2.gz CVCBAGJTBHCPFN-VIFPVBQESA-N -1 0 303.340 -0.233 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2Cc3ccccc32)CCO1 ZINC000643156761 375635888 /nfs/dbraw/zinc/63/58/88/375635888.db2.gz TVWVEQFSWWDYPE-AAEUAGOBSA-N -1 0 318.329 -0.246 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C(C)C ZINC000643167219 375668665 /nfs/dbraw/zinc/66/86/65/375668665.db2.gz WRJVZXPKAFCFQK-UWVGGRQHSA-N -1 0 302.327 -0.914 20 0 DBADRM CS(=O)(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]2)CCCCC1 ZINC000616988728 375694283 /nfs/dbraw/zinc/69/42/83/375694283.db2.gz FXPZCZHIDUWNQT-UHFFFAOYSA-N -1 0 317.371 -0.508 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](CO)Cc1ccccc1 ZINC000616931939 375675903 /nfs/dbraw/zinc/67/59/03/375675903.db2.gz JHDXKJPBWFRADA-JTQLQIEISA-N -1 0 304.306 -0.042 20 0 DBADRM CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1(C)C ZINC000643168631 375687983 /nfs/dbraw/zinc/68/79/83/375687983.db2.gz SAQSINFPFUEPSG-KXUCPTDWSA-N -1 0 314.338 -0.772 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCCS2)CCO1 ZINC000643168567 375690093 /nfs/dbraw/zinc/69/00/93/375690093.db2.gz GCHXFOHUAKJMLZ-ZJUUUORDSA-N -1 0 316.379 -0.300 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-] ZINC000590898742 375699515 /nfs/dbraw/zinc/69/95/15/375699515.db2.gz BDPBQIFVXQXJGE-SSDOTTSWSA-N -1 0 319.339 -0.172 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCO[C@@H]2C2CC2)C1 ZINC000643169273 375699650 /nfs/dbraw/zinc/69/96/50/375699650.db2.gz LJRMUPPSLSADKA-RWSFTLGLSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000643169778 375702349 /nfs/dbraw/zinc/70/23/49/375702349.db2.gz BVKROODVZGKPKC-WRWGMCAJSA-N -1 0 322.361 -0.007 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)CN2C(=O)NC(C)(C)C2=O)[n-]1 ZINC000591303553 375710396 /nfs/dbraw/zinc/71/03/96/375710396.db2.gz WSTLFNUDANXLMO-UHFFFAOYSA-N -1 0 323.309 -0.145 20 0 DBADRM CCSCC[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591459226 375716804 /nfs/dbraw/zinc/71/68/04/375716804.db2.gz RXTUHXFAHPVLEA-NXEZZACHSA-N -1 0 318.395 -0.054 20 0 DBADRM CSCC[C@H](C)N(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591568503 375718149 /nfs/dbraw/zinc/71/81/49/375718149.db2.gz PKSJUOIONPISQV-UWVGGRQHSA-N -1 0 318.395 -0.102 20 0 DBADRM C[C@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)[O-] ZINC000054310109 375766180 /nfs/dbraw/zinc/76/61/80/375766180.db2.gz WIPSYWBTNVJCBB-SSDOTTSWSA-N -1 0 304.324 -0.020 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000592372426 375797147 /nfs/dbraw/zinc/79/71/47/375797147.db2.gz WZNIHPCLSUTGKR-UJNFCWOMSA-N -1 0 300.311 -0.767 20 0 DBADRM C[S@](=O)C1(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000592439981 375803713 /nfs/dbraw/zinc/80/37/13/375803713.db2.gz DGYBSLBTKKHVKD-JYFUKTADSA-N -1 0 316.379 -0.617 20 0 DBADRM COC(=O)CCCCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000592441066 375803961 /nfs/dbraw/zinc/80/39/61/375803961.db2.gz ZSOVTARIIITWMH-VHSXEESVSA-N -1 0 314.338 -0.185 20 0 DBADRM CS[C@@H](C)CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000592440584 375803976 /nfs/dbraw/zinc/80/39/76/375803976.db2.gz PZSYYNUJSWKXAO-VIFPVBQESA-N -1 0 318.395 -0.148 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000592440211 375804054 /nfs/dbraw/zinc/80/40/54/375804054.db2.gz HDEOELPZEHMWNZ-IVZWLZJFSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000592440102 375804199 /nfs/dbraw/zinc/80/41/99/375804199.db2.gz JKIBBYJXJGRMJJ-UHFFFAOYSA-N -1 0 314.338 -0.231 20 0 DBADRM CCOC(=O)c1cnn(C)c1NC(=O)CN(C)[C@@H](C)C(=O)[O-] ZINC000592988912 375841240 /nfs/dbraw/zinc/84/12/40/375841240.db2.gz VAXBXZZHKJJGSA-QMMMGPOBSA-N -1 0 312.326 -0.060 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1C[C@@H](C(N)=O)C1 ZINC000593636076 375880685 /nfs/dbraw/zinc/88/06/85/375880685.db2.gz BWQYSXYJIGNSGK-OLQVQODUSA-N -1 0 319.364 -0.528 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCCC[C@H]2CC(=O)[O-])nn1 ZINC000593922933 375897855 /nfs/dbraw/zinc/89/78/55/375897855.db2.gz UKEMWQGVRWEBKD-VIFPVBQESA-N -1 0 310.310 -0.080 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)CN2CCN(C)C(=O)C2)[n-]1 ZINC000593901227 375899489 /nfs/dbraw/zinc/89/94/89/375899489.db2.gz KHARHEWIKUCFDJ-UHFFFAOYSA-N -1 0 309.326 -0.701 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N(CC(=O)[O-])C1CCC1 ZINC000593945654 375901514 /nfs/dbraw/zinc/90/15/14/375901514.db2.gz VVTNDKNRGBJTSS-UHFFFAOYSA-N -1 0 308.356 -0.335 20 0 DBADRM C[C@@H]1C[C@H](O)CN1C(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000643179821 375903284 /nfs/dbraw/zinc/90/32/84/375903284.db2.gz OORNUPKEEAPJRG-SKDRFNHKSA-N -1 0 306.318 -0.017 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000594543858 375934292 /nfs/dbraw/zinc/93/42/92/375934292.db2.gz INLVAYJPSDODJV-VHSXEESVSA-N -1 0 314.338 -0.519 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCC1([S@](C)=O)CCC1)C(=O)[O-] ZINC000594530795 375935620 /nfs/dbraw/zinc/93/56/20/375935620.db2.gz UKBYRJYNOIQVCA-SQFXPLBJSA-N -1 0 304.368 -0.759 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCC1([S@@](C)=O)CC1)C(=O)[O-] ZINC000594530744 375936176 /nfs/dbraw/zinc/93/61/76/375936176.db2.gz SVSVMZVFLLTTQF-AOUSDQRYSA-N -1 0 318.395 -0.513 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])cn1 ZINC000594573644 375938043 /nfs/dbraw/zinc/93/80/43/375938043.db2.gz PZULAVABXNHYTQ-QMMMGPOBSA-N -1 0 323.302 -0.853 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N(CCSC)CC(=O)[O-] ZINC000594670716 375939875 /nfs/dbraw/zinc/93/98/75/375939875.db2.gz JSVXXRVOKLPVFM-MRVPVSSYSA-N -1 0 313.397 -0.125 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])CC1 ZINC000594684967 375941667 /nfs/dbraw/zinc/94/16/67/375941667.db2.gz RKZPGJGPFCHFAX-VIFPVBQESA-N -1 0 321.351 -0.413 20 0 DBADRM CCSC1(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000595276969 375991473 /nfs/dbraw/zinc/99/14/73/375991473.db2.gz ZNALCYHQVDDHDA-VIFPVBQESA-N -1 0 316.379 -0.300 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000595237512 375984504 /nfs/dbraw/zinc/98/45/04/375984504.db2.gz FQGIFNFDJKNTND-MRVPVSSYSA-N -1 0 321.289 -0.260 20 0 DBADRM COC(=O)CCCCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000595275615 375989097 /nfs/dbraw/zinc/98/90/97/375989097.db2.gz PHZGBNSKNMDULL-UHFFFAOYSA-N -1 0 314.338 -0.183 20 0 DBADRM COC(=O)C[C@H](CNC(=O)C(=O)N(C)CCC(=O)[O-])C1CC1 ZINC000595275820 375989479 /nfs/dbraw/zinc/98/94/79/375989479.db2.gz JSTJIZWSHLOYSJ-SNVBAGLBSA-N -1 0 314.338 -0.375 20 0 DBADRM CSC[C@H](C)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595276965 375991120 /nfs/dbraw/zinc/99/11/20/375991120.db2.gz ZJHDTCCORNKCMP-IGJMFERPSA-N -1 0 316.379 -0.586 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)C(=O)OC ZINC000596702144 376094118 /nfs/dbraw/zinc/09/41/18/376094118.db2.gz LXNWXPRPZCAGDT-ZETCQYMHSA-N -1 0 323.261 -0.237 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC2(C(N)=O)CCC2)cn1 ZINC000626232090 376095698 /nfs/dbraw/zinc/09/56/98/376095698.db2.gz HSXABAYBFYWHJF-UHFFFAOYSA-N -1 0 312.351 -0.409 20 0 DBADRM CCOC(=O)CN1CCCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000597060263 376110971 /nfs/dbraw/zinc/11/09/71/376110971.db2.gz TZUDBPRJATUUIR-UHFFFAOYSA-N -1 0 310.354 -0.163 20 0 DBADRM COC(=O)C(C)(C)n1cc(NC(=O)NCc2n[nH]c(=O)[n-]2)cn1 ZINC000597097844 376111442 /nfs/dbraw/zinc/11/14/42/376111442.db2.gz CWETUDRRNLXIST-UHFFFAOYSA-N -1 0 323.313 -0.063 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C[C@@H]1C ZINC000595975533 376058630 /nfs/dbraw/zinc/05/86/30/376058630.db2.gz NFPLHXPEOGCSSS-VHSXEESVSA-N -1 0 314.338 -0.423 20 0 DBADRM CCOC(=O)Cn1[n-]c(C)c(C(=O)NC[C@H]2CCCO2)c1=O ZINC000596010525 376058982 /nfs/dbraw/zinc/05/89/82/376058982.db2.gz SNIAVMUIYRAZBZ-PWSUYJOCSA-N -1 0 311.338 -0.321 20 0 DBADRM COC(=O)[C@H]1C[C@@H](N(C)C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC000595992887 376065010 /nfs/dbraw/zinc/06/50/10/376065010.db2.gz VRDPIYZPYSVJTP-BBBLOLIVSA-N -1 0 314.338 -0.425 20 0 DBADRM CC(=O)N1CC(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC000531360475 376065777 /nfs/dbraw/zinc/06/57/77/376065777.db2.gz LTNHNNUWYYIPLH-UHFFFAOYSA-N -1 0 302.290 -0.010 20 0 DBADRM COC(=O)C1(CNC(=O)[C@](C)(OC)C(=O)[O-])CCOCC1 ZINC000595998926 376066712 /nfs/dbraw/zinc/06/67/12/376066712.db2.gz HFVRPBGUXODTMR-LBPRGKRZSA-N -1 0 303.311 -0.438 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000596133200 376071969 /nfs/dbraw/zinc/07/19/69/376071969.db2.gz WBDZILSFLAGPNP-XTLFPSBJSA-N -1 0 318.395 -0.513 20 0 DBADRM CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(=O)OC ZINC000597364638 376127775 /nfs/dbraw/zinc/12/77/75/376127775.db2.gz TYRAXIPOBQOTKX-SECBINFHSA-N -1 0 316.335 -0.279 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N(C)C[C@@H](C)c1nnn[n-]1)C(C)=O ZINC000597504466 376138745 /nfs/dbraw/zinc/13/87/45/376138745.db2.gz KWPCJOVDLMRAFQ-PSASIEDQSA-N -1 0 311.342 -0.080 20 0 DBADRM COC(=O)CCN1CCN(C(=O)c2cc(=O)n(C)[n-]2)[C@H](C)C1 ZINC000597476448 376139333 /nfs/dbraw/zinc/13/93/33/376139333.db2.gz LJRSQHFXEFWDNZ-SNVBAGLBSA-N -1 0 310.354 -0.165 20 0 DBADRM CCOC(=O)C[C@@H](CO)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000597677298 376161440 /nfs/dbraw/zinc/16/14/40/376161440.db2.gz HIOJMDUTTLPVIM-LURJTMIESA-N -1 0 304.328 -0.967 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@H](C)C(=O)[O-])cc1C(N)=O ZINC000054334089 376212143 /nfs/dbraw/zinc/21/21/43/376212143.db2.gz DQAUGSPQOLKCSD-ZETCQYMHSA-N -1 0 316.335 -0.207 20 0 DBADRM COC(=O)CC1([N-]S(=O)(=O)c2cc(C(=O)OC)no2)CC1 ZINC000599340290 376279770 /nfs/dbraw/zinc/27/97/70/376279770.db2.gz RXRDYHGGWLFPGR-UHFFFAOYSA-N -1 0 318.307 -0.165 20 0 DBADRM COC(=O)CN(C)C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599009821 376235011 /nfs/dbraw/zinc/23/50/11/376235011.db2.gz MBYBWFQQNKJBOD-UHFFFAOYSA-N -1 0 301.324 -0.302 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCN2CCOCC2)on1 ZINC000599203244 376254820 /nfs/dbraw/zinc/25/48/20/376254820.db2.gz KOBWFKVPBADNOQ-UHFFFAOYSA-N -1 0 319.339 -0.928 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)OC)C(C)C)on1 ZINC000599204537 376255280 /nfs/dbraw/zinc/25/52/80/376255280.db2.gz CMIXZHHVTLFEGU-VIFPVBQESA-N -1 0 320.323 -0.063 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@](C)(C(N)=O)C(C)C)on1 ZINC000599317617 376281673 /nfs/dbraw/zinc/28/16/73/376281673.db2.gz SPDSVWFVYOCKFP-LLVKDONJSA-N -1 0 319.339 -0.361 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@](C)(O)C2CC2)on1 ZINC000599239435 376256509 /nfs/dbraw/zinc/25/65/09/376256509.db2.gz CRQBHEOOHPOEGP-NSHDSACASA-N -1 0 304.324 -0.100 20 0 DBADRM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC(=O)OC)on1 ZINC000599209023 376256893 /nfs/dbraw/zinc/25/68/93/376256893.db2.gz FXFQTUQHIFYXAO-UHFFFAOYSA-N -1 0 306.296 -0.556 20 0 DBADRM COC[C@](C)(O)C[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599240050 376257363 /nfs/dbraw/zinc/25/73/63/376257363.db2.gz FQIOIYKZLQVIMY-SNVBAGLBSA-N -1 0 308.312 -0.863 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@](C)(O)C2CC2)on1 ZINC000599239434 376257646 /nfs/dbraw/zinc/25/76/46/376257646.db2.gz CRQBHEOOHPOEGP-LLVKDONJSA-N -1 0 304.324 -0.100 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCCn2cncn2)on1 ZINC000599216839 376259091 /nfs/dbraw/zinc/25/90/91/376259091.db2.gz XWIBKKWZFJHUAQ-UHFFFAOYSA-N -1 0 315.311 -0.579 20 0 DBADRM CCO[C@@H](CS(=O)(=O)NCC(=O)NCC(=O)OC)C1CC1 ZINC000599217288 376260681 /nfs/dbraw/zinc/26/06/81/376260681.db2.gz ADRHLYNPWHFERQ-JTQLQIEISA-N -1 0 322.383 -0.990 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H](OCC)C1CC1 ZINC000599283557 376263190 /nfs/dbraw/zinc/26/31/90/376263190.db2.gz YPPSHEBKWUGNLO-WDEREUQCSA-N -1 0 309.384 -0.355 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@]2(O)CCSC2)on1 ZINC000599248429 376264260 /nfs/dbraw/zinc/26/42/60/376264260.db2.gz KSNBAHSUDURCLE-JTQLQIEISA-N -1 0 322.364 -0.393 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC[C@@H](C)[S@@](C)=O)on1 ZINC000599260502 376266758 /nfs/dbraw/zinc/26/67/58/376266758.db2.gz HGAPIDDKURIRAH-QOLSBQFWSA-N -1 0 324.380 -0.103 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C2(C(N)=O)CCC2)on1 ZINC000599262346 376267150 /nfs/dbraw/zinc/26/71/50/376267150.db2.gz DYEZPGDUWRMDKE-UHFFFAOYSA-N -1 0 303.296 -0.853 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C[S@](C)=O)on1 ZINC000599274805 376268991 /nfs/dbraw/zinc/26/89/91/376268991.db2.gz DMELJCIDFOALMY-DMWPKQFHSA-N -1 0 310.353 -0.494 20 0 DBADRM COC[C@H](O)CC[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599268548 376269154 /nfs/dbraw/zinc/26/91/54/376269154.db2.gz GRDRUJIKIGMINZ-SSDOTTSWSA-N -1 0 308.312 -0.863 20 0 DBADRM CCN1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)no2)C1=O ZINC000599303600 376272648 /nfs/dbraw/zinc/27/26/48/376272648.db2.gz MYZPPEBFUTVEJR-SSDOTTSWSA-N -1 0 317.323 -0.640 20 0 DBADRM COCC[C@H](COC)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599308766 376274804 /nfs/dbraw/zinc/27/48/04/376274804.db2.gz AOSAUMBLWBEJOV-MRVPVSSYSA-N -1 0 322.339 -0.209 20 0 DBADRM O=C(CN1C(=O)CSc2ccccc21)NCc1nnn[n-]1 ZINC000599334007 376283014 /nfs/dbraw/zinc/28/30/14/376283014.db2.gz DKBFLMGIDQATJP-UHFFFAOYSA-N -1 0 304.335 -0.045 20 0 DBADRM CCn1cc(C[N-]S(=O)(=O)c2cc(C(=O)OC)no2)nn1 ZINC000599343220 376278997 /nfs/dbraw/zinc/27/89/97/376278997.db2.gz ZJMVSQJSVTXGBC-UHFFFAOYSA-N -1 0 315.311 -0.449 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000599786543 376338117 /nfs/dbraw/zinc/33/81/17/376338117.db2.gz BUUNCCGSIRUPMT-RQJHMYQMSA-N -1 0 318.355 -0.287 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000599861217 376341997 /nfs/dbraw/zinc/34/19/97/376341997.db2.gz ZURMVUUNPNMNRM-MRVPVSSYSA-N -1 0 303.315 -0.924 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)NC[C@H](C)C(=O)[O-] ZINC000599861218 376342028 /nfs/dbraw/zinc/34/20/28/376342028.db2.gz ZURMVUUNPNMNRM-QMMMGPOBSA-N -1 0 303.315 -0.924 20 0 DBADRM Cc1cc(=O)c(C(=O)NCc2nnn[n-]2)nn1-c1ccccc1 ZINC000599334535 376283485 /nfs/dbraw/zinc/28/34/85/376283485.db2.gz PGLGOADSSYUGSQ-UHFFFAOYSA-N -1 0 311.305 -0.016 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](O)[C@H]2CCCO2)on1 ZINC000599392022 376291362 /nfs/dbraw/zinc/29/13/62/376291362.db2.gz OXVKNLYWICFLPS-RKDXNWHRSA-N -1 0 320.323 -0.721 20 0 DBADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000601998479 376402913 /nfs/dbraw/zinc/40/29/13/376402913.db2.gz NANQSTQDXZOPSA-BDAKNGLRSA-N -1 0 324.424 -0.315 20 0 DBADRM C[C@H](S[C@@H](C)C(=O)N1CC(OCC(=O)N(C)C)C1)C(=O)[O-] ZINC000602003870 376403127 /nfs/dbraw/zinc/40/31/27/376403127.db2.gz WNWGHAXXJHTEQL-IUCAKERBSA-N -1 0 318.395 -0.103 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000201851371 376359235 /nfs/dbraw/zinc/35/92/35/376359235.db2.gz CVKIYRBTAIROIW-UHFFFAOYSA-N -1 0 312.303 -0.087 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NC2COCCOC2)cc1 ZINC000631280908 376395943 /nfs/dbraw/zinc/39/59/43/376395943.db2.gz ZMTRZFXJCUPLNT-UHFFFAOYSA-N -1 0 305.338 -0.021 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)o1 ZINC000069142191 376551857 /nfs/dbraw/zinc/55/18/57/376551857.db2.gz SBDZQYGAFZWBSM-SSDOTTSWSA-N -1 0 323.348 -0.167 20 0 DBADRM COCC(COC)S(=O)(=O)[N-][C@H](CC(F)F)C(=O)OC ZINC000603301970 376543347 /nfs/dbraw/zinc/54/33/47/376543347.db2.gz YIFOGSSHMNDEOS-MRVPVSSYSA-N -1 0 319.326 -0.236 20 0 DBADRM COCC(COC)S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)OC ZINC000603301971 376543869 /nfs/dbraw/zinc/54/38/69/376543869.db2.gz YIFOGSSHMNDEOS-QMMMGPOBSA-N -1 0 319.326 -0.236 20 0 DBADRM CC[C@@](COC)([N-]S(=O)(=O)CCn1ccnc1)C(=O)OC ZINC000603358962 376545272 /nfs/dbraw/zinc/54/52/72/376545272.db2.gz PILPEBOKDJJLEU-LBPRGKRZSA-N -1 0 319.383 -0.229 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NC[C@@](C)(CO)OC)cc1 ZINC000631347010 376617716 /nfs/dbraw/zinc/61/77/16/376617716.db2.gz CCMRFJXYYMUPFS-AWEZNQCLSA-N -1 0 307.354 -0.039 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NC[C@](C)(CO)OC)cc1 ZINC000631347011 376618262 /nfs/dbraw/zinc/61/82/62/376618262.db2.gz CCMRFJXYYMUPFS-CQSZACIVSA-N -1 0 307.354 -0.039 20 0 DBADRM O=C([O-])CSCC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000604491202 376629969 /nfs/dbraw/zinc/62/99/69/376629969.db2.gz JTXNCAHYSYCTNY-VIFPVBQESA-N -1 0 307.393 -0.018 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000313603140 376639641 /nfs/dbraw/zinc/63/96/41/376639641.db2.gz BNFPTWHWHRETFG-JQWIXIFHSA-N -1 0 307.368 -0.082 20 0 DBADRM Cc1cc(N(C)C)ccc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000606116973 376728016 /nfs/dbraw/zinc/72/80/16/376728016.db2.gz IKDXEKKZJCHECI-UHFFFAOYSA-N -1 0 303.326 -0.171 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)C(=O)[O-] ZINC000316673956 376696057 /nfs/dbraw/zinc/69/60/57/376696057.db2.gz UNNIVOWWJPRZTL-ANLVUFKYSA-N -1 0 307.262 -0.474 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000038017019 376735530 /nfs/dbraw/zinc/73/55/30/376735530.db2.gz XOLRAVSAKFTRPQ-UHFFFAOYSA-N -1 0 322.364 -0.571 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000262040241 376765158 /nfs/dbraw/zinc/76/51/58/376765158.db2.gz BTUNWJJHBFPOCJ-LLVKDONJSA-N -1 0 303.278 -0.412 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCO1 ZINC000261993754 376766000 /nfs/dbraw/zinc/76/60/00/376766000.db2.gz UCMSWSWBAMJZTL-NEPJUHHUSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000262156778 376780401 /nfs/dbraw/zinc/78/04/01/376780401.db2.gz BKOVDYCDMZFJMJ-UHFFFAOYSA-N -1 0 320.099 -0.698 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000262190205 376783116 /nfs/dbraw/zinc/78/31/16/376783116.db2.gz SKBSZOQERAUSIJ-BBBLOLIVSA-N -1 0 316.379 -0.002 20 0 DBADRM C[S@@](=O)CCCNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000229194402 376810207 /nfs/dbraw/zinc/81/02/07/376810207.db2.gz IWEQMCXGZQNAHP-QGZVFWFLSA-N -1 0 312.394 -0.112 20 0 DBADRM CO[C@H](C)c1nsc(=NC[C@@H]2CS(=O)(=O)CCO2)[n-]1 ZINC000337881093 376901764 /nfs/dbraw/zinc/90/17/64/376901764.db2.gz URVYJJXCRHZNDX-HTQZYQBOSA-N -1 0 307.397 -0.107 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)c2=O ZINC000337669592 376868746 /nfs/dbraw/zinc/86/87/46/376868746.db2.gz SULOZHCAGMOMRH-SECBINFHSA-N -1 0 319.321 -0.547 20 0 DBADRM NC(=O)COCCNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000230956359 376880846 /nfs/dbraw/zinc/88/08/46/376880846.db2.gz UBUQOXHKSZKSNY-UHFFFAOYSA-N -1 0 308.337 -0.774 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NCCSCC(=O)[O-] ZINC000262401652 376883545 /nfs/dbraw/zinc/88/35/45/376883545.db2.gz MKEFLQCANQUEBJ-UHFFFAOYSA-N -1 0 312.413 -0.408 20 0 DBADRM Cc1cc(C(=O)NC[C@@](C)(O)CO)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000338619102 376946780 /nfs/dbraw/zinc/94/67/80/376946780.db2.gz ASCAFYKVEQJCLQ-CYBMUJFWSA-N -1 0 308.294 -0.782 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CNC(=O)Cc1ccccc1 ZINC000262490064 376965647 /nfs/dbraw/zinc/96/56/47/376965647.db2.gz LUHLATLAGYSLFP-GFCCVEGCSA-N -1 0 306.318 -0.343 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000262525950 377014362 /nfs/dbraw/zinc/01/43/62/377014362.db2.gz NNGLKOLMFXOBEC-MRVPVSSYSA-N -1 0 305.290 -0.061 20 0 DBADRM C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000262563441 377026426 /nfs/dbraw/zinc/02/64/26/377026426.db2.gz ZGYZENLVRWHWRD-VIFPVBQESA-N -1 0 300.336 -0.104 20 0 DBADRM COCC1(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)CC1 ZINC000568001065 377026577 /nfs/dbraw/zinc/02/65/77/377026577.db2.gz LAACQVWVNIOFOM-UHFFFAOYSA-N -1 0 304.328 -0.925 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000568003166 377031740 /nfs/dbraw/zinc/03/17/40/377031740.db2.gz YDRWGBSFBQDIQY-VLEAKVRGSA-N -1 0 307.368 -0.037 20 0 DBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000274960790 304201017 /nfs/dbraw/zinc/20/10/17/304201017.db2.gz BJFZVLCJAHNKRV-SECBINFHSA-N -1 0 315.303 -0.111 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000262512035 376993701 /nfs/dbraw/zinc/99/37/01/376993701.db2.gz KLQCMWPOMPOVKV-RQJHMYQMSA-N -1 0 319.339 -0.452 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)CC[C@H]2CCOC2)CCOC1 ZINC000338928277 376994021 /nfs/dbraw/zinc/99/40/21/376994021.db2.gz FUSZSMPZTZYQRR-PWSUYJOCSA-N -1 0 307.368 -0.336 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)[C@H](C)NS(C)(=O)=O)s[n-]1 ZINC000338927031 376994073 /nfs/dbraw/zinc/99/40/73/376994073.db2.gz VMRXNMLPVBIKQS-NTSWFWBYSA-N -1 0 308.385 -0.456 20 0 DBADRM CO[C@@H](C)c1nsc(NC([O-])=CS(=O)(=O)N(C)C)n1 ZINC000338914648 376997002 /nfs/dbraw/zinc/99/70/02/376997002.db2.gz LGHMZEOHAIWQIW-LURJTMIESA-N -1 0 308.385 -0.503 20 0 DBADRM CC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@]2(CCOC2)O1 ZINC000366517379 377125567 /nfs/dbraw/zinc/12/55/67/377125567.db2.gz FMRKKERHAREHEF-IINYFYTJSA-N -1 0 311.338 -0.665 20 0 DBADRM CC[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)[O-] ZINC000263018135 377108590 /nfs/dbraw/zinc/10/85/90/377108590.db2.gz SEJWMIWSAGIFOP-VIFPVBQESA-N -1 0 313.335 -0.537 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccccc1F ZINC000263110623 377111972 /nfs/dbraw/zinc/11/19/72/377111972.db2.gz PPWUGVPPRKYEDO-UHFFFAOYSA-N -1 0 304.299 -0.305 20 0 DBADRM CCCS(=O)(=O)CC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000531747983 377081617 /nfs/dbraw/zinc/08/16/17/377081617.db2.gz FYTZBEGOMGJITM-UHFFFAOYSA-N -1 0 307.368 -0.097 20 0 DBADRM C[C@H](CNC(=O)Cc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000531747418 377081937 /nfs/dbraw/zinc/08/19/37/377081937.db2.gz CFAJBNNEBDHWIK-MRVPVSSYSA-N -1 0 300.336 -0.287 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000262888969 377101701 /nfs/dbraw/zinc/10/17/01/377101701.db2.gz NMNCFFKOCWJHHH-ZETCQYMHSA-N -1 0 316.335 -0.112 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262893875 377103428 /nfs/dbraw/zinc/10/34/28/377103428.db2.gz APUKIBDUPKCVTD-BDAKNGLRSA-N -1 0 302.352 -0.390 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262893911 377103582 /nfs/dbraw/zinc/10/35/82/377103582.db2.gz APUKIBDUPKCVTD-RKDXNWHRSA-N -1 0 302.352 -0.390 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C(=O)[O-] ZINC000567471517 377140354 /nfs/dbraw/zinc/14/03/54/377140354.db2.gz PCNVBCSPLDZPRB-GUBZILKMSA-N -1 0 310.372 -0.628 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC[C@H](C)O ZINC000339938897 377158676 /nfs/dbraw/zinc/15/86/76/377158676.db2.gz KARIFHSXSUDFKH-IONNQARKSA-N -1 0 319.383 -0.155 20 0 DBADRM O=C(NCC(F)F)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000571211526 377160609 /nfs/dbraw/zinc/16/06/09/377160609.db2.gz HCSRLOACNUPALX-UHFFFAOYSA-N -1 0 303.269 -0.402 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1cnns1)C(=O)[O-] ZINC000263241690 377183404 /nfs/dbraw/zinc/18/34/04/377183404.db2.gz FGAZGRHUKZWSSB-ZETCQYMHSA-N -1 0 300.340 -0.117 20 0 DBADRM COC[C@@H](O)CCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000626314193 377214249 /nfs/dbraw/zinc/21/42/49/377214249.db2.gz YFEZUJBCVRDYCW-JTQLQIEISA-N -1 0 317.367 -0.420 20 0 DBADRM COc1ccc(-c2nnc(S(=O)(=O)C[C@H](O)CO)[n-]2)cc1 ZINC000571389238 377218391 /nfs/dbraw/zinc/21/83/91/377218391.db2.gz CIEGOFKCVDJROK-SECBINFHSA-N -1 0 313.335 -0.393 20 0 DBADRM C/C=C/C[C@@H](NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-] ZINC000571400260 377218799 /nfs/dbraw/zinc/21/87/99/377218799.db2.gz IXILBXQYDVXSEJ-SGUJLRQBSA-N -1 0 324.399 -0.165 20 0 DBADRM Cc1oc(C(=O)N[C@H](C(=O)[O-])C2CC2)cc1S(N)(=O)=O ZINC000262220614 377268151 /nfs/dbraw/zinc/26/81/51/377268151.db2.gz ZVDUXHKSHBMPMR-VIFPVBQESA-N -1 0 302.308 -0.172 20 0 DBADRM CNS(=O)(=O)c1ccc(N2CCO[C@H](CC(=O)[O-])C2)nc1 ZINC000571567160 377254438 /nfs/dbraw/zinc/25/44/38/377254438.db2.gz ZUEJIQXLOYZWFX-SECBINFHSA-N -1 0 315.351 -0.330 20 0 DBADRM COC(=O)c1cn(CC(=O)NC[C@@H](CC(C)C)C(=O)[O-])nn1 ZINC000571566744 377254538 /nfs/dbraw/zinc/25/45/38/377254538.db2.gz WGCYBELKVDRZQF-SECBINFHSA-N -1 0 312.326 -0.072 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-] ZINC000261839612 377262682 /nfs/dbraw/zinc/26/26/82/377262682.db2.gz WDSLWAYENPKOPR-KWQFWETISA-N -1 0 311.342 -0.405 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000261928034 377263510 /nfs/dbraw/zinc/26/35/10/377263510.db2.gz YOKJXHXAPLADLR-UHFFFAOYSA-N -1 0 311.323 -0.418 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000262032949 377264148 /nfs/dbraw/zinc/26/41/48/377264148.db2.gz BGMBERQAAFSICV-PELKAZGASA-N -1 0 302.352 -0.342 20 0 DBADRM CN(CC(=O)Nc1cccc(OCC(=O)[O-])c1)S(C)(=O)=O ZINC000262101258 377264880 /nfs/dbraw/zinc/26/48/80/377264880.db2.gz HOFMKJLWNVWONY-UHFFFAOYSA-N -1 0 316.335 -0.020 20 0 DBADRM CC(C)[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(N)=O ZINC000264383438 377313592 /nfs/dbraw/zinc/31/35/92/377313592.db2.gz FUYAPNXVKKIOJT-MRVPVSSYSA-N -1 0 305.294 -0.324 20 0 DBADRM CC(C)CNC(=O)N1CCC[C@H](C(=O)NCc2nnn[n-]2)C1 ZINC000607341481 377340555 /nfs/dbraw/zinc/34/05/55/377340555.db2.gz ZRXKUQLXZOECJF-JTQLQIEISA-N -1 0 309.374 -0.107 20 0 DBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC000262260089 377270837 /nfs/dbraw/zinc/27/08/37/377270837.db2.gz RBRIMJPRMVPJGT-LKFCYVNXSA-N -1 0 307.306 -0.338 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000262373156 377272920 /nfs/dbraw/zinc/27/29/20/377272920.db2.gz FTGAHBUHKQGWAR-ZJUUUORDSA-N -1 0 324.399 -0.348 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CN1C(=O)COc2ccccc21 ZINC000262523290 377275282 /nfs/dbraw/zinc/27/52/82/377275282.db2.gz RBBTXSXULFKJJE-LLVKDONJSA-N -1 0 320.301 -0.276 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000262472165 377275783 /nfs/dbraw/zinc/27/57/83/377275783.db2.gz AIVROKPLVDUPMI-LBPRGKRZSA-N -1 0 315.347 -0.010 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000262434118 377276279 /nfs/dbraw/zinc/27/62/79/377276279.db2.gz FWWYKJOXCUSNEB-ZCFIWIBFSA-N -1 0 308.337 -0.764 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000262429954 377276667 /nfs/dbraw/zinc/27/66/67/377276667.db2.gz DTQQWGXNFVLSLS-UHFFFAOYSA-N -1 0 322.364 -0.420 20 0 DBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NCCCC(=O)[O-])cn1 ZINC000262477203 377277418 /nfs/dbraw/zinc/27/74/18/377277418.db2.gz QMLSLZXEUARFAI-UHFFFAOYSA-N -1 0 322.364 -0.372 20 0 DBADRM C[C@H](NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC000262823413 377278261 /nfs/dbraw/zinc/27/82/61/377278261.db2.gz WGRLEVMOKQVQOC-JKYUHCHBSA-N -1 0 305.290 -0.056 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@@H]3CC[C@@H]3C(=O)[O-])C2=O)cn1 ZINC000262628795 377279070 /nfs/dbraw/zinc/27/90/70/377279070.db2.gz FECNLKWJYDXPKB-VWYCJHECSA-N -1 0 306.322 -0.248 20 0 DBADRM CCCNC(=O)CN(CCC)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000262747524 377279093 /nfs/dbraw/zinc/27/90/93/377279093.db2.gz BEVNXDLJORKTMK-UHFFFAOYSA-N -1 0 311.342 -0.259 20 0 DBADRM CS(=O)(=O)NCCc1ccc(C(=O)NCC(=O)[O-])s1 ZINC000262717327 377279428 /nfs/dbraw/zinc/27/94/28/377279428.db2.gz SUEBBUFEXJUIQQ-UHFFFAOYSA-N -1 0 306.365 -0.346 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CN1CCC(=O)NC1=O ZINC000262932491 377280569 /nfs/dbraw/zinc/28/05/69/377280569.db2.gz XTWRNVJOQXSWEF-NSHDSACASA-N -1 0 319.317 -0.260 20 0 DBADRM CO[C@H](CNC(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000262854767 377280763 /nfs/dbraw/zinc/28/07/63/377280763.db2.gz HHWQDLKNHLXKIX-SECBINFHSA-N -1 0 301.320 -0.081 20 0 DBADRM C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000262883532 377281012 /nfs/dbraw/zinc/28/10/12/377281012.db2.gz ZGYZENLVRWHWRD-SECBINFHSA-N -1 0 300.336 -0.104 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CN1CCC(=O)NC1=O ZINC000262932488 377281758 /nfs/dbraw/zinc/28/17/58/377281758.db2.gz XTWRNVJOQXSWEF-LLVKDONJSA-N -1 0 319.317 -0.260 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)NC)nc1 ZINC000263412395 377283147 /nfs/dbraw/zinc/28/31/47/377283147.db2.gz JELWQRDMHOOYEO-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM O=C([O-])COCCNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000263396143 377283592 /nfs/dbraw/zinc/28/35/92/377283592.db2.gz DNZRVONMLUUZBN-SNVBAGLBSA-N -1 0 310.306 -0.155 20 0 DBADRM Cn1cnn(CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1=O ZINC000263394086 377283852 /nfs/dbraw/zinc/28/38/52/377283852.db2.gz FBXURVBUDZACAM-AXFHLTTASA-N -1 0 308.338 -0.174 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cn1 ZINC000263429627 377283914 /nfs/dbraw/zinc/28/39/14/377283914.db2.gz MZBMLNNXFSBCFM-SNVBAGLBSA-N -1 0 315.351 -0.171 20 0 DBADRM CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)NC)nc1)C(=O)[O-] ZINC000263386394 377284804 /nfs/dbraw/zinc/28/48/04/377284804.db2.gz CQPNIKSMWYAQPL-SECBINFHSA-N -1 0 315.351 -0.027 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000607341194 377339371 /nfs/dbraw/zinc/33/93/71/377339371.db2.gz RBFIVEPPMGLYSB-LBPRGKRZSA-N -1 0 302.338 -0.283 20 0 DBADRM COC[C@@H](O)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000268638308 377367192 /nfs/dbraw/zinc/36/71/92/377367192.db2.gz MZNKFLPKDJHHNY-VIFPVBQESA-N -1 0 323.374 -0.041 20 0 DBADRM C[C@H](CO)CNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000268846532 377375030 /nfs/dbraw/zinc/37/50/30/377375030.db2.gz NFKFRZYBGUJXCA-JTQLQIEISA-N -1 0 305.334 -0.176 20 0 DBADRM CCN(CCCNC(=O)c1cc(C)nc(=O)[nH]1)S(C)(=O)=O ZINC000268817784 377375616 /nfs/dbraw/zinc/37/56/16/377375616.db2.gz JDVUINCEEUIRCF-UHFFFAOYSA-N -1 0 316.383 -0.108 20 0 DBADRM C[C@H](O)CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269782709 377421201 /nfs/dbraw/zinc/42/12/01/377421201.db2.gz PBZBFCLILFXMQY-LURJTMIESA-N -1 0 314.323 -0.515 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-] ZINC000270413352 377447570 /nfs/dbraw/zinc/44/75/70/377447570.db2.gz CTVYGCHYTHCDEX-PSASIEDQSA-N -1 0 303.340 -0.014 20 0 DBADRM CC[C@@H](CO)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269742830 377419434 /nfs/dbraw/zinc/41/94/34/377419434.db2.gz VFAUZIGAJPCAOI-LURJTMIESA-N -1 0 314.323 -0.515 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000271684652 377504549 /nfs/dbraw/zinc/50/45/49/377504549.db2.gz DBXHLPVREPJRDB-SNVBAGLBSA-N -1 0 309.290 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cccnc1Cl ZINC000040396232 183060677 /nfs/dbraw/zinc/06/06/77/183060677.db2.gz LINMUQBNSQEVCV-RQJHMYQMSA-N -1 0 306.727 -0.057 20 0 DBADRM CCC[C@@]1(C)C(=O)NCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000275892647 377537729 /nfs/dbraw/zinc/53/77/29/377537729.db2.gz PVOUZJPHCAXCEA-LBPRGKRZSA-N -1 0 313.383 -0.293 20 0 DBADRM C[C@H](CNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-] ZINC000274959247 377532166 /nfs/dbraw/zinc/53/21/66/377532166.db2.gz URXCTCCVPTXNGJ-RKDXNWHRSA-N -1 0 303.340 -0.157 20 0 DBADRM COCCn1cc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cn1 ZINC000275109176 377532250 /nfs/dbraw/zinc/53/22/50/377532250.db2.gz MRAPKKYURAQPPG-JTQLQIEISA-N -1 0 319.339 -0.996 20 0 DBADRM CN(C)c1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1Cl ZINC000276068292 377547087 /nfs/dbraw/zinc/54/70/87/377547087.db2.gz FCPJPHHPEYXHEW-UHFFFAOYSA-N -1 0 314.729 -0.122 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)N2CCOC(C)(C)C2)CCOC1 ZINC000346526139 291677822 /nfs/dbraw/zinc/67/78/22/291677822.db2.gz PGWQRNYATQNUSN-GFCCVEGCSA-N -1 0 322.383 -0.736 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000276749454 377571533 /nfs/dbraw/zinc/57/15/33/377571533.db2.gz SUWICZPDBHEEPV-NSHDSACASA-N -1 0 313.331 -0.127 20 0 DBADRM CN(C)c1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC000277365729 377592054 /nfs/dbraw/zinc/59/20/54/377592054.db2.gz FCDFAVXUPMZDDG-UHFFFAOYSA-N -1 0 314.367 -0.657 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000277137287 377586722 /nfs/dbraw/zinc/58/67/22/377586722.db2.gz PJQNDXBSDOFPPM-SSDOTTSWSA-N -1 0 322.287 -0.321 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)CC[C@@H]1CCCO1 ZINC000333640188 304207931 /nfs/dbraw/zinc/20/79/31/304207931.db2.gz XDMQHOCPRKUODI-DTWKUNHWSA-N -1 0 310.310 -0.262 20 0 DBADRM CCOC(=O)c1n[nH]c(C2CCN(S(N)(=O)=O)CC2)n1 ZINC000277763446 377606185 /nfs/dbraw/zinc/60/61/85/377606185.db2.gz FKULKPYUVHFGEF-UHFFFAOYSA-N -1 0 303.344 -0.636 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1n[nH]c2c1CCC2 ZINC000277719129 377606366 /nfs/dbraw/zinc/60/63/66/377606366.db2.gz SJQJCYFVZJMDHG-UHFFFAOYSA-N -1 0 300.340 -0.906 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(Cl)nc1 ZINC000278543938 377624375 /nfs/dbraw/zinc/62/43/75/377624375.db2.gz FVYFEFWVCOKRIS-UHFFFAOYSA-N -1 0 305.743 -0.069 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(F)ccc1O ZINC000278725119 377628690 /nfs/dbraw/zinc/62/86/90/377628690.db2.gz UQGSMQHKFVMVHF-UHFFFAOYSA-N -1 0 304.299 -0.273 20 0 DBADRM CC(=O)N1CC(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)C1 ZINC000278682363 377629700 /nfs/dbraw/zinc/62/97/00/377629700.db2.gz QPIWMRIYGAZYSH-UHFFFAOYSA-N -1 0 302.294 -0.628 20 0 DBADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000279308711 377651963 /nfs/dbraw/zinc/65/19/63/377651963.db2.gz RDFAMMQGRQDCGN-SCZZXKLOSA-N -1 0 301.324 -0.308 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000279493413 377656605 /nfs/dbraw/zinc/65/66/05/377656605.db2.gz PNIAAQVGFCAJMH-UHFFFAOYSA-N -1 0 321.746 -0.421 20 0 DBADRM O=C(CNC(=O)OCc1ccccc1)NCCc1nc(=O)o[n-]1 ZINC000280163388 377678625 /nfs/dbraw/zinc/67/86/25/377678625.db2.gz RSXNOWMUDKLZMW-UHFFFAOYSA-N -1 0 320.305 -0.052 20 0 DBADRM CCCC[C@H](NC(=O)NCC)C(=O)NCCc1nc(=O)o[n-]1 ZINC000280198818 377681116 /nfs/dbraw/zinc/68/11/16/377681116.db2.gz VBNBJRVAGMGZGX-VIFPVBQESA-N -1 0 313.358 -0.101 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CC1CCC1 ZINC000333607370 304208902 /nfs/dbraw/zinc/20/89/02/304208902.db2.gz RIQZMXQXDGSEAR-MRVPVSSYSA-N -1 0 316.339 -0.618 20 0 DBADRM COCCCOCC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000281909641 377754212 /nfs/dbraw/zinc/75/42/12/377754212.db2.gz QJJQQRIUGKABJT-UHFFFAOYSA-N -1 0 307.310 -0.053 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc2[nH]cnc21 ZINC000281988122 377758086 /nfs/dbraw/zinc/75/80/86/377758086.db2.gz GSVFPQLPBCVNCN-UHFFFAOYSA-N -1 0 310.335 -0.241 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc2n[nH]cc21 ZINC000282075143 377762518 /nfs/dbraw/zinc/76/25/18/377762518.db2.gz NJERXQDOBLMQBT-UHFFFAOYSA-N -1 0 310.335 -0.241 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1c(O)cccc1F ZINC000282319507 377772886 /nfs/dbraw/zinc/77/28/86/377772886.db2.gz UQWBEMBIEOIDST-UHFFFAOYSA-N -1 0 304.299 -0.273 20 0 DBADRM Cc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccc1O ZINC000282370811 377774659 /nfs/dbraw/zinc/77/46/59/377774659.db2.gz YASNOCSRBVAJSK-UHFFFAOYSA-N -1 0 300.336 -0.104 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC000283514343 377837060 /nfs/dbraw/zinc/83/70/60/377837060.db2.gz SCGQPFJYRZGMBJ-UHFFFAOYSA-N -1 0 304.759 -0.255 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000367470317 377898024 /nfs/dbraw/zinc/89/80/24/377898024.db2.gz SFRVXRSBQBRVCR-HTQZYQBOSA-N -1 0 309.340 -0.965 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)NC2(C(=O)[O-])CC2)CC1 ZINC000203203245 377880448 /nfs/dbraw/zinc/88/04/48/377880448.db2.gz CFDNTICGYLPAAU-UHFFFAOYSA-N -1 0 306.340 -0.677 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@H]1C(=O)[O-] ZINC000291041852 377920421 /nfs/dbraw/zinc/92/04/21/377920421.db2.gz YIKRIDFNEBRWDD-ZETCQYMHSA-N -1 0 303.296 -0.566 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@H]2CC(=O)N(C)C2=O)CCC1 ZINC000291676474 377931340 /nfs/dbraw/zinc/93/13/40/377931340.db2.gz KWALMKNAPVVPTM-QMMMGPOBSA-N -1 0 318.351 -0.994 20 0 DBADRM C[C@H](CO)N(C)C(=O)CNS(=O)(=O)c1ccccc1F ZINC000291664363 377931695 /nfs/dbraw/zinc/93/16/95/377931695.db2.gz VQCSMWHHJNZPTO-SECBINFHSA-N -1 0 304.343 -0.057 20 0 DBADRM COc1ccc(CNC(=O)c2cnc([O-])n(C)c2=O)c(OC)n1 ZINC000291879680 377937623 /nfs/dbraw/zinc/93/76/23/377937623.db2.gz HAMCNAQDZLGAFZ-UHFFFAOYSA-N -1 0 320.305 -0.172 20 0 DBADRM COC(=O)[C@@H](CNS(=O)(=O)c1cccc(C(=O)[O-])c1)OC ZINC000291890169 377937851 /nfs/dbraw/zinc/93/78/51/377937851.db2.gz JNLWNLMXRRVGPH-SNVBAGLBSA-N -1 0 317.319 -0.149 20 0 DBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cnn(C)c1C ZINC000291902604 377940257 /nfs/dbraw/zinc/94/02/57/377940257.db2.gz QTTCZJYCAHMFPB-VIFPVBQESA-N -1 0 305.356 -0.161 20 0 DBADRM COC(=O)[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])cs1)OC ZINC000291987553 377941660 /nfs/dbraw/zinc/94/16/60/377941660.db2.gz VVWUYQCFUWUZMX-SSDOTTSWSA-N -1 0 323.348 -0.087 20 0 DBADRM CS(=O)(=O)N1CCN(CC(=O)[N-]OC/C=C/Cl)CC1 ZINC000292204609 377945031 /nfs/dbraw/zinc/94/50/31/377945031.db2.gz PARAEOGXMRSOHH-NSCUHMNNSA-N -1 0 311.791 -0.636 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1=O ZINC000292721382 377957724 /nfs/dbraw/zinc/95/77/24/377957724.db2.gz DBQYQJKMMPEHNH-CYBMUJFWSA-N -1 0 318.293 -0.384 20 0 DBADRM COC(=O)[C@@H](CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)OC ZINC000293650922 377974641 /nfs/dbraw/zinc/97/46/41/377974641.db2.gz AERBEKWCWTYQNW-ZCFIWIBFSA-N -1 0 314.260 -0.252 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(=O)[O-] ZINC000340450497 377983068 /nfs/dbraw/zinc/98/30/68/377983068.db2.gz JVSIODAFCAEOFB-SSDOTTSWSA-N -1 0 319.360 -0.232 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CC(=O)[O-])cn1C ZINC000340451392 377984188 /nfs/dbraw/zinc/98/41/88/377984188.db2.gz MEWUERNSOTTXIB-ZETCQYMHSA-N -1 0 304.324 -0.047 20 0 DBADRM CN(CCCC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC000340451334 377984358 /nfs/dbraw/zinc/98/43/58/377984358.db2.gz LEYFRVXEEDIRMD-UHFFFAOYSA-N -1 0 301.386 -0.453 20 0 DBADRM CCNC(=O)NCCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000294056077 377984425 /nfs/dbraw/zinc/98/44/25/377984425.db2.gz OLBLRXJMOLIURV-UHFFFAOYSA-N -1 0 312.292 -0.121 20 0 DBADRM CCn1ncc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)n1 ZINC000294660179 377995355 /nfs/dbraw/zinc/99/53/55/377995355.db2.gz REGGZASIVBEWJQ-UHFFFAOYSA-N -1 0 317.356 -0.227 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)CCC(=O)[O-])cn1C ZINC000340540421 378024562 /nfs/dbraw/zinc/02/45/62/378024562.db2.gz FQQAWMFVZAVVDT-UHFFFAOYSA-N -1 0 304.324 -0.093 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC000328858055 378189991 /nfs/dbraw/zinc/18/99/91/378189991.db2.gz UQTVHVRJAPSWSQ-QMMMGPOBSA-N -1 0 312.355 -0.188 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000535513130 378172074 /nfs/dbraw/zinc/17/20/74/378172074.db2.gz GKNMQRNZLORMSD-SNVBAGLBSA-N -1 0 322.383 -0.087 20 0 DBADRM CC(=O)CNC(=O)[C@@H](C)Sc1n[n-]c2nc(=O)c(C)nn12 ZINC000344722685 378364992 /nfs/dbraw/zinc/36/49/92/378364992.db2.gz DIMDUCVHFHWATE-SSDOTTSWSA-N -1 0 310.339 -0.693 20 0 DBADRM COc1ncc([N-]S(=O)(=O)c2cn(C)cn2)cc1C(N)=O ZINC000353827765 378354983 /nfs/dbraw/zinc/35/49/83/378354983.db2.gz PSRDPJZNMZPXEU-UHFFFAOYSA-N -1 0 311.323 -0.277 20 0 DBADRM O=C(NC/C=C/CO)c1cccc(C(=O)NC/C=C\CO)c1[O-] ZINC000617683719 378552398 /nfs/dbraw/zinc/55/23/98/378552398.db2.gz HOPTYOODWPVOIO-HSFFGMMNSA-N -1 0 320.345 -0.051 20 0 DBADRM CCOc1ccc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])cn1 ZINC000547567700 378578505 /nfs/dbraw/zinc/57/85/05/378578505.db2.gz CLFYRBMALMFTSX-VIFPVBQESA-N -1 0 304.324 -0.142 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1C ZINC000609953753 378624695 /nfs/dbraw/zinc/62/46/95/378624695.db2.gz YVTFNINLCJKDOS-UHFFFAOYSA-N -1 0 318.293 -0.450 20 0 DBADRM COCCOCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000353789276 378686222 /nfs/dbraw/zinc/68/62/22/378686222.db2.gz UAVLYKGEWCVTNL-UHFFFAOYSA-N -1 0 310.357 -0.489 20 0 DBADRM CCN(CC)C(=O)[C@H](C)S(=O)(=O)c1nc(COC)n[n-]1 ZINC000353896976 378691800 /nfs/dbraw/zinc/69/18/00/378691800.db2.gz QPWWYWRYVZEPRV-QMMMGPOBSA-N -1 0 304.372 -0.018 20 0 DBADRM COc1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)nn1 ZINC000354125858 378708923 /nfs/dbraw/zinc/70/89/23/378708923.db2.gz UCSJEHQFFCJYFX-UHFFFAOYSA-N -1 0 311.323 -0.277 20 0 DBADRM COCCOCCS(=O)(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000367182103 378764860 /nfs/dbraw/zinc/76/48/60/378764860.db2.gz WXNOPCMWHVHRAQ-ZJUUUORDSA-N -1 0 311.356 -0.847 20 0 DBADRM CC(C)(NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1nnn[n-]1 ZINC000354797389 378767046 /nfs/dbraw/zinc/76/70/46/378767046.db2.gz YFATXWPPDPNYOE-ZDUSSCGKSA-N -1 0 321.341 -0.729 20 0 DBADRM CC(C)(NC(=O)c1cnc2n(c1=O)CCS2)c1nnn[n-]1 ZINC000354809354 378768687 /nfs/dbraw/zinc/76/86/87/378768687.db2.gz YJJNQZOWZHRRGN-UHFFFAOYSA-N -1 0 307.339 -0.473 20 0 DBADRM COCCC(=O)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000355769235 378834997 /nfs/dbraw/zinc/83/49/97/378834997.db2.gz IWPDZBLXSUVDNM-UHFFFAOYSA-N -1 0 319.365 -0.297 20 0 DBADRM NC(=O)Cn1ccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)n1 ZINC000355422739 378812935 /nfs/dbraw/zinc/81/29/35/378812935.db2.gz QQJPHYAUFXMTHU-UHFFFAOYSA-N -1 0 324.366 -0.298 20 0 DBADRM COCc1nc(CSc2n[n-]c3nc(=O)c(C)nn32)no1 ZINC000355455411 378816021 /nfs/dbraw/zinc/81/60/21/378816021.db2.gz YPCXNXMHTQCWAC-UHFFFAOYSA-N -1 0 309.311 -0.057 20 0 DBADRM COc1ccc(S(=O)(=O)N2CC(=O)N(C)C2)cc1C(=O)[O-] ZINC000355458197 378816893 /nfs/dbraw/zinc/81/68/93/378816893.db2.gz SMDPMPMPYLLBGY-UHFFFAOYSA-N -1 0 314.319 -0.186 20 0 DBADRM COc1ccc(F)cc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000355975330 378848026 /nfs/dbraw/zinc/84/80/26/378848026.db2.gz FGEZUNWCNUAZEH-UHFFFAOYSA-N -1 0 309.257 -0.087 20 0 DBADRM Cn1cnn(CC(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c1=O ZINC000356009943 378850957 /nfs/dbraw/zinc/85/09/57/378850957.db2.gz YCZJYBGDQCLIEZ-UHFFFAOYSA-N -1 0 315.293 -0.289 20 0 DBADRM C[C@@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000643430307 378890405 /nfs/dbraw/zinc/89/04/05/378890405.db2.gz BCBKACDMKRVBHF-RKDXNWHRSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCC(=O)[O-] ZINC000357400893 378942260 /nfs/dbraw/zinc/94/22/60/378942260.db2.gz DRECALPGQCTHSL-SECBINFHSA-N -1 0 300.336 -0.056 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H](C)NC(C)=O)ccc1[O-] ZINC000357323596 378936741 /nfs/dbraw/zinc/93/67/41/378936741.db2.gz LXERXZDKJKSGAO-ZETCQYMHSA-N -1 0 315.351 -0.237 20 0 DBADRM O=C(CCn1cncn1)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000356997269 378910537 /nfs/dbraw/zinc/91/05/37/378910537.db2.gz LUNYYAOZNZEJHS-UHFFFAOYSA-N -1 0 300.282 -0.012 20 0 DBADRM Cc1cc(C(=O)NCCCOCCO)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000357536897 378952531 /nfs/dbraw/zinc/95/25/31/378952531.db2.gz HHXVAVIALDTSNL-UHFFFAOYSA-N -1 0 322.321 -0.127 20 0 DBADRM C[C@@H](CN(C)C(=O)CCSc1nnnn1C)c1nnn[n-]1 ZINC000358375610 379035587 /nfs/dbraw/zinc/03/55/87/379035587.db2.gz HHSHJDPJIDGWOO-ZETCQYMHSA-N -1 0 311.375 -0.533 20 0 DBADRM C[C@@H](CN(C)C(=O)CN1C(=O)NC(=O)C1(C)C)c1nnn[n-]1 ZINC000358398699 379036732 /nfs/dbraw/zinc/03/67/32/379036732.db2.gz WSAJBGVBGLDVQJ-ZETCQYMHSA-N -1 0 309.330 -0.908 20 0 DBADRM CCN(CC)S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000262481474 284742228 /nfs/dbraw/zinc/74/22/28/284742228.db2.gz VTSAJDULBFGWJO-VIFPVBQESA-N -1 0 309.388 -0.516 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H](O)C1CCCCC1 ZINC000643433034 379083117 /nfs/dbraw/zinc/08/31/17/379083117.db2.gz MDTCQMFJXVHEIS-QWRGUYRKSA-N -1 0 319.379 -0.362 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)Cn2cccn2)C1=O ZINC000358712490 379079466 /nfs/dbraw/zinc/07/94/66/379079466.db2.gz KYCAVDGRPMTCOK-PWSUYJOCSA-N -1 0 308.338 -0.291 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)CCc2nnc[nH]2)C1=O ZINC000358704994 379079470 /nfs/dbraw/zinc/07/94/70/379079470.db2.gz BJJSJFMDYRDKBG-CABZTGNLSA-N -1 0 323.353 -0.436 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cnns2)C1=O ZINC000358723434 379081200 /nfs/dbraw/zinc/08/12/00/379081200.db2.gz ZRCXKFRJNDLOKZ-IONNQARKSA-N -1 0 312.351 -0.022 20 0 DBADRM CCCN(CCC)C(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000643436063 379118018 /nfs/dbraw/zinc/11/80/18/379118018.db2.gz MQQHIXWTMDVTTA-LLVKDONJSA-N -1 0 320.411 -0.181 20 0 DBADRM Cn1cc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)nn1 ZINC000359468888 379166103 /nfs/dbraw/zinc/16/61/03/379166103.db2.gz QKLBRWDJMRCGKH-UHFFFAOYSA-N -1 0 306.311 -0.408 20 0 DBADRM Cc1nn2c([n-]nc2SCC(=O)NC[C@H]2CCCO2)nc1=O ZINC000359318277 379147697 /nfs/dbraw/zinc/14/76/97/379147697.db2.gz MFXMESUPNVFRGR-MRVPVSSYSA-N -1 0 324.366 -0.492 20 0 DBADRM Cn1c2ccccc2n(CC(=O)NC(C)(C)c2nnn[n-]2)c1=O ZINC000359794830 379199320 /nfs/dbraw/zinc/19/93/20/379199320.db2.gz ULDGSIHLHCVSNJ-UHFFFAOYSA-N -1 0 315.337 -0.095 20 0 DBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)CC1(C(=O)OC)CCC1 ZINC000360190916 379239057 /nfs/dbraw/zinc/23/90/57/379239057.db2.gz XIHXDLPBDPDGGH-QMMMGPOBSA-N -1 0 311.331 -0.240 20 0 DBADRM O=C([O-])C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000360423188 379264199 /nfs/dbraw/zinc/26/41/99/379264199.db2.gz XCDNJVYFOQCDER-UHFFFAOYSA-N -1 0 311.382 -0.088 20 0 DBADRM COc1n[nH]c([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)n1 ZINC000360935138 379319072 /nfs/dbraw/zinc/31/90/72/379319072.db2.gz UEORLHFQWVVKKR-UHFFFAOYSA-N -1 0 322.310 -0.410 20 0 DBADRM Cn1cc(NC(=O)CNS(=O)(=O)c2cccs2)nn1 ZINC000361175443 379332104 /nfs/dbraw/zinc/33/21/04/379332104.db2.gz FXNAWRLWTAXPJT-UHFFFAOYSA-N -1 0 301.353 -0.206 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1=O ZINC000362418857 379437244 /nfs/dbraw/zinc/43/72/44/379437244.db2.gz BDVWNGPNAIGXQU-NSHDSACASA-N -1 0 317.301 -0.088 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000362567168 379448818 /nfs/dbraw/zinc/44/88/18/379448818.db2.gz HBHKNRSEYQSQSC-NSHDSACASA-N -1 0 308.290 -0.524 20 0 DBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)Cc1cc(C)no1)C(=O)OC ZINC000362606352 379452267 /nfs/dbraw/zinc/45/22/67/379452267.db2.gz NOEUDEZHSWFNMX-SECBINFHSA-N -1 0 320.323 -0.493 20 0 DBADRM O=c1nc(CCNS(=O)(=O)c2cn3c(n2)CCCC3)[n-]o1 ZINC000368075324 379523971 /nfs/dbraw/zinc/52/39/71/379523971.db2.gz QESKHFVXNQOHKA-UHFFFAOYSA-N -1 0 313.339 -0.583 20 0 DBADRM C[C@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)N(C)CC(F)(F)F ZINC000369141601 379569808 /nfs/dbraw/zinc/56/98/08/379569808.db2.gz CSWZDYUWXKFAGJ-HTQZYQBOSA-N -1 0 322.291 -0.018 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)C[C@@H](C)O1 ZINC000582355422 379636024 /nfs/dbraw/zinc/63/60/24/379636024.db2.gz KDKCRADPYRAEGI-CKYFFXLPSA-N -1 0 322.383 -0.436 20 0 DBADRM Cc1cnn(Cc2cc(C(=O)NC[C@@](C)(O)C(=O)[O-])no2)c1 ZINC000582420185 379651661 /nfs/dbraw/zinc/65/16/61/379651661.db2.gz FNWKJTOMIYBXBW-CYBMUJFWSA-N -1 0 308.294 -0.207 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCc3sccc3C2)CCO1 ZINC000643454461 379647807 /nfs/dbraw/zinc/64/78/07/379647807.db2.gz ZAYLXERQTHFAFQ-SNVBAGLBSA-N -1 0 324.358 -0.055 20 0 DBADRM CCS(=O)(=O)c1cccc(C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000120104455 379618187 /nfs/dbraw/zinc/61/81/87/379618187.db2.gz KGTXBGXTCYVCJD-UHFFFAOYSA-N -1 0 310.335 -0.178 20 0 DBADRM COCC[C@H](CO)N=c1nn[n-]n1Cc1ccc(OC)cc1 ZINC000631261532 379685806 /nfs/dbraw/zinc/68/58/06/379685806.db2.gz KJFIZXJFNLYQQT-GFCCVEGCSA-N -1 0 307.354 -0.039 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000643457371 379687424 /nfs/dbraw/zinc/68/74/24/379687424.db2.gz PWPCSYQBBPTMIA-MXWKQRLJSA-N -1 0 314.338 -0.676 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000643457368 379689081 /nfs/dbraw/zinc/68/90/81/379689081.db2.gz PWPCSYQBBPTMIA-AXFHLTTASA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@H]1CSCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643459466 379697048 /nfs/dbraw/zinc/69/70/48/379697048.db2.gz YUNGRBQYSMJCDK-IUCAKERBSA-N -1 0 302.352 -0.738 20 0 DBADRM CCO[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000643456246 379672121 /nfs/dbraw/zinc/67/21/21/379672121.db2.gz OJABGSGKDDPVIP-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM CCO[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000643456245 379672159 /nfs/dbraw/zinc/67/21/59/379672159.db2.gz OJABGSGKDDPVIP-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM Cn1cnn(CC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c1=O ZINC000181335354 379747562 /nfs/dbraw/zinc/74/75/62/379747562.db2.gz ORIODERPMKEIKH-UHFFFAOYSA-N -1 0 316.277 -0.436 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C(F)F)CCO1 ZINC000643460771 379702968 /nfs/dbraw/zinc/70/29/68/379702968.db2.gz UPAKUPHRKOMIMG-DTWKUNHWSA-N -1 0 320.292 -0.055 20 0 DBADRM CC[C@]1(CO)CCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643460795 379706650 /nfs/dbraw/zinc/70/66/50/379706650.db2.gz CJVNPAAJJCIUIN-IINYFYTJSA-N -1 0 314.338 -0.938 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C3CC3)C2)C1 ZINC000643461170 379709177 /nfs/dbraw/zinc/70/91/77/379709177.db2.gz KLCWPWUAJRJDMP-NEPJUHHUSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccccc1 ZINC000547930014 379796723 /nfs/dbraw/zinc/79/67/23/379796723.db2.gz DXWWGAKCFVSICT-YPMLDQLKSA-N -1 0 303.361 -0.107 20 0 DBADRM COC(=O)COc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000610494668 379805096 /nfs/dbraw/zinc/80/50/96/379805096.db2.gz ZSGOMPUPJOPUNN-UHFFFAOYSA-N -1 0 306.278 -0.008 20 0 DBADRM CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000348374664 379762803 /nfs/dbraw/zinc/76/28/03/379762803.db2.gz FUQLZSZFVLLHHE-UHFFFAOYSA-N -1 0 322.412 -0.110 20 0 DBADRM CO[C@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000230233249 379868137 /nfs/dbraw/zinc/86/81/37/379868137.db2.gz UJIFWRHFCRLGNR-VIFPVBQESA-N -1 0 303.340 -0.233 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000230103587 379868228 /nfs/dbraw/zinc/86/82/28/379868228.db2.gz JUQWUWVBJWDLHN-NSHDSACASA-N -1 0 317.319 -0.164 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000044618467 379868249 /nfs/dbraw/zinc/86/82/49/379868249.db2.gz CFJYIEJSTJWJNJ-QMMMGPOBSA-N -1 0 303.340 -0.392 20 0 DBADRM Cc1cc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)no1 ZINC000044721041 379868357 /nfs/dbraw/zinc/86/83/57/379868357.db2.gz GOXKCYBUKUMICG-UHFFFAOYSA-N -1 0 300.296 -0.257 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])C1 ZINC000230094011 379868370 /nfs/dbraw/zinc/86/83/70/379868370.db2.gz NPEDXCBILXFEQV-IWSPIJDZSA-N -1 0 307.372 -0.873 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2ccnn2C)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC000584720910 379839482 /nfs/dbraw/zinc/83/94/82/379839482.db2.gz NFKDKAPXBPFKTM-KHQFGBGNSA-N -1 0 303.340 -0.329 20 0 DBADRM CCn1nccc1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000584778124 379844211 /nfs/dbraw/zinc/84/42/11/379844211.db2.gz NHYWBINEWHTWIW-SECBINFHSA-N -1 0 303.340 -0.233 20 0 DBADRM Cc1cc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)on1 ZINC000044993725 379869236 /nfs/dbraw/zinc/86/92/36/379869236.db2.gz ZKKGZNLBMSMEGB-UHFFFAOYSA-N -1 0 300.296 -0.257 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1cncc(F)c1)C(=O)[O-] ZINC000044260530 379869876 /nfs/dbraw/zinc/86/98/76/379869876.db2.gz WVBIWLPCRIIAAA-MRVPVSSYSA-N -1 0 305.287 -0.782 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1c[nH]c2ncccc12)C(=O)[O-] ZINC000040503851 379861379 /nfs/dbraw/zinc/86/13/79/379861379.db2.gz UJROMRCICUOBEU-SSDOTTSWSA-N -1 0 312.307 -0.830 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC000040396518 379861572 /nfs/dbraw/zinc/86/15/72/379861572.db2.gz PUNHSKHEOTXROG-YIZRAAEISA-N -1 0 310.397 -0.200 20 0 DBADRM C[C@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])C1 ZINC000040396312 379861997 /nfs/dbraw/zinc/86/19/97/379861997.db2.gz LAGKXRQONZMIMM-MMWGEVLESA-N -1 0 306.384 -0.271 20 0 DBADRM CC(C)(NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000040910649 379862107 /nfs/dbraw/zinc/86/21/07/379862107.db2.gz XSRQGYHRTMBGHK-UHFFFAOYSA-N -1 0 322.364 -0.525 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)C[C@H](C)O1 ZINC000227560529 379865179 /nfs/dbraw/zinc/86/51/79/379865179.db2.gz XJMJHOVCGRJKHB-AXFHLTTASA-N -1 0 322.383 -0.484 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1c(Cl)cnn1C)C(=O)[O-] ZINC000227865054 379866232 /nfs/dbraw/zinc/86/62/32/379866232.db2.gz NWXKZZAKANOFRF-ZETCQYMHSA-N -1 0 311.747 -0.159 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000230103594 379867158 /nfs/dbraw/zinc/86/71/58/379867158.db2.gz JUQWUWVBJWDLHN-LLVKDONJSA-N -1 0 317.319 -0.164 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-] ZINC000230104555 379867461 /nfs/dbraw/zinc/86/74/61/379867461.db2.gz FMVFHGDFFNTETQ-NSHDSACASA-N -1 0 301.320 -0.001 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000230104630 379867491 /nfs/dbraw/zinc/86/74/91/379867491.db2.gz KTCKFUKIKUPDDT-SNVBAGLBSA-N -1 0 314.319 -0.441 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])C1 ZINC000230094016 379868010 /nfs/dbraw/zinc/86/80/10/379868010.db2.gz NPEDXCBILXFEQV-HRDYMLBCSA-N -1 0 307.372 -0.873 20 0 DBADRM CC(C)[C@H](O)CCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000133134396 379913601 /nfs/dbraw/zinc/91/36/01/379913601.db2.gz AZOYMDDFBBFVNT-SNVBAGLBSA-N -1 0 306.322 -0.252 20 0 DBADRM CCNC(=O)C[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000136426195 379920548 /nfs/dbraw/zinc/92/05/48/379920548.db2.gz HKJDXGUNNHVTTC-UHFFFAOYSA-N -1 0 307.353 -0.656 20 0 DBADRM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC000037731460 379883413 /nfs/dbraw/zinc/88/34/13/379883413.db2.gz APUVFLBZDRDBQI-UHFFFAOYSA-N -1 0 302.337 -0.142 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)[N-]CC(F)(F)F)CCO1 ZINC000127710260 379897313 /nfs/dbraw/zinc/89/73/13/379897313.db2.gz DVPPGJAYFVLONL-LURJTMIESA-N -1 0 306.262 -0.743 20 0 DBADRM O=C(NC1CN(S(=O)(=O)[N-]CC(F)(F)F)C1)C1CCC1 ZINC000195460893 379931224 /nfs/dbraw/zinc/93/12/24/379931224.db2.gz BKNHDGUPAZFPMB-UHFFFAOYSA-N -1 0 315.317 -0.016 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)Cn1cccn1 ZINC000420530971 380064449 /nfs/dbraw/zinc/06/44/49/380064449.db2.gz FUBGIIAZEWUZAC-IAQYHMDHSA-N -1 0 322.365 -0.041 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000420570889 380064655 /nfs/dbraw/zinc/06/46/55/380064655.db2.gz XDPDQRIUSDUUIR-PSLIRLAXSA-N -1 0 323.349 -0.811 20 0 DBADRM CCOC(=O)CC[C@H](C)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000420560810 380064862 /nfs/dbraw/zinc/06/48/62/380064862.db2.gz FQGJNQMDSYVZIK-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000420532109 380065066 /nfs/dbraw/zinc/06/50/66/380065066.db2.gz HLWWNOGDRXKDDO-YGRLFVJLSA-N -1 0 308.338 -0.289 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000420569414 380065168 /nfs/dbraw/zinc/06/51/68/380065168.db2.gz XWRZJMGGTMGORK-WCQGTBRESA-N -1 0 310.350 -0.007 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCC(=O)[O-])[C@@H]1OC ZINC000420568173 380065202 /nfs/dbraw/zinc/06/52/02/380065202.db2.gz WJJHXNMAWPGCMM-UMNHJUIQSA-N -1 0 316.354 -0.382 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)C(C)C ZINC000420562273 380065463 /nfs/dbraw/zinc/06/54/63/380065463.db2.gz NWGNWESNXJLYFC-MXWKQRLJSA-N -1 0 300.355 -0.047 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000420589854 380066331 /nfs/dbraw/zinc/06/63/31/380066331.db2.gz SGCDPZMZGKIYEE-VIFPVBQESA-N -1 0 319.317 -0.652 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(c2cccs2)CC1 ZINC000420586269 380066548 /nfs/dbraw/zinc/06/65/48/380066548.db2.gz CIINTAFJVXMKOG-UHFFFAOYSA-N -1 0 311.363 -0.012 20 0 DBADRM C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000420591377 380066760 /nfs/dbraw/zinc/06/67/60/380066760.db2.gz VKQZDLDFVWUPOG-BXKDBHETSA-N -1 0 306.318 -0.017 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCCCCC(=O)[O-])CC(=O)N1C ZINC000420579624 380066801 /nfs/dbraw/zinc/06/68/01/380066801.db2.gz RTMJJNQKARICAB-JTQLQIEISA-N -1 0 313.354 -0.563 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000420590159 380067093 /nfs/dbraw/zinc/06/70/93/380067093.db2.gz JTNBOQVENMJHTC-NXEZZACHSA-N -1 0 311.338 -0.763 20 0 DBADRM COC[C@H](NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])[C@H]1CCCO1 ZINC000420558286 380067139 /nfs/dbraw/zinc/06/71/39/380067139.db2.gz KVJCRXGEQDVVJT-OUAUKWLOSA-N -1 0 316.354 -0.524 20 0 DBADRM COC[C@H](NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])[C@@H]1CCCO1 ZINC000420558287 380067197 /nfs/dbraw/zinc/06/71/97/380067197.db2.gz KVJCRXGEQDVVJT-VWYCJHECSA-N -1 0 316.354 -0.524 20 0 DBADRM CN(C[C@H]1CCCC[C@@H]1O)C(=O)C(=O)NCCCC(=O)[O-] ZINC000420595022 380068482 /nfs/dbraw/zinc/06/84/82/380068482.db2.gz QWCKJVSDKFNHDX-MNOVXSKESA-N -1 0 300.355 -0.023 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)C(=O)N2CCC[C@H]2CO)cc1 ZINC000420594439 380069040 /nfs/dbraw/zinc/06/90/40/380069040.db2.gz ZSFVCXVOKPEQPT-LBPRGKRZSA-N -1 0 306.318 -0.016 20 0 DBADRM COC(=O)[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccccc1 ZINC000611219519 380096845 /nfs/dbraw/zinc/09/68/45/380096845.db2.gz UQSPARPVVWKEPO-MRVPVSSYSA-N -1 0 304.262 -0.073 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@H](OC)C[C@H]1CC(=O)[O-] ZINC000571759298 380118476 /nfs/dbraw/zinc/11/84/76/380118476.db2.gz JFPVUNAMGIMIKZ-VHSXEESVSA-N -1 0 310.372 -0.627 20 0 DBADRM CO[C@H](CNC(=O)c1csc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000262864180 380204493 /nfs/dbraw/zinc/20/44/93/380204493.db2.gz HOPWOVMWUOIZOC-ZCFIWIBFSA-N -1 0 308.337 -0.775 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000262893673 380204562 /nfs/dbraw/zinc/20/45/62/380204562.db2.gz CGWZJCWYIJMOAL-GFCCVEGCSA-N -1 0 321.399 -0.180 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CCCC[C@H]1C(=O)[O-] ZINC000262272686 380178815 /nfs/dbraw/zinc/17/88/15/380178815.db2.gz ISDJHGZCKBWBMM-ZJUUUORDSA-N -1 0 301.343 -0.214 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000262971783 380205907 /nfs/dbraw/zinc/20/59/07/380205907.db2.gz PUOQGXHOQLFDBT-BDAKNGLRSA-N -1 0 306.384 -0.117 20 0 DBADRM CS(=O)(=O)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262343396 380185635 /nfs/dbraw/zinc/18/56/35/380185635.db2.gz TXEMRWDJBFVKOC-PHDIDXHHSA-N -1 0 303.258 -0.248 20 0 DBADRM CN(C)C(=O)c1cc(S(=O)(=O)N(C)CCC(=O)[O-])cn1C ZINC000262374342 380186525 /nfs/dbraw/zinc/18/65/25/380186525.db2.gz FXKPWXTVYPLGFG-UHFFFAOYSA-N -1 0 317.367 -0.178 20 0 DBADRM CCCCN(C)S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000262376485 380189058 /nfs/dbraw/zinc/18/90/58/380189058.db2.gz GGUKDRLPXKBAMX-SNVBAGLBSA-N -1 0 323.415 -0.126 20 0 DBADRM NC(=O)c1ccc(C(=O)NCC2(C(=O)[O-])CCOCC2)nc1 ZINC000262957846 380206270 /nfs/dbraw/zinc/20/62/70/380206270.db2.gz NQGCDDMQXVYZGI-UHFFFAOYSA-N -1 0 307.306 -0.208 20 0 DBADRM CNC(=O)[C@H](NC(=O)CN(C)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000262671509 380199172 /nfs/dbraw/zinc/19/91/72/380199172.db2.gz RUARURRZVPWJPJ-GXFFZTMASA-N -1 0 307.350 -0.005 20 0 DBADRM O=C([O-])Cn1cc(CNC(=O)CN2CCCCCCC2=O)nn1 ZINC000262814503 380202367 /nfs/dbraw/zinc/20/23/67/380202367.db2.gz ORPGUGYCIUPLFD-UHFFFAOYSA-N -1 0 323.353 -0.228 20 0 DBADRM COC[C@@](C)(O)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000611685385 380202711 /nfs/dbraw/zinc/20/27/11/380202711.db2.gz LCMRLSUUDZSEGK-LBPRGKRZSA-N -1 0 318.351 -0.833 20 0 DBADRM C[C@@](O)(CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1CC1 ZINC000611693492 380202792 /nfs/dbraw/zinc/20/27/92/380202792.db2.gz IUDKRJFRBSHVGE-CYBMUJFWSA-N -1 0 314.363 -0.070 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1C[C@H](O)C[C@H](O)C1 ZINC000611769591 380208303 /nfs/dbraw/zinc/20/83/03/380208303.db2.gz DMYWCSYKVSWFQJ-PHIMTYICSA-N -1 0 305.290 -0.402 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263160740 380211685 /nfs/dbraw/zinc/21/16/85/380211685.db2.gz ORZJSBMKFUTLEY-CMPLNLGQSA-N -1 0 306.384 -0.004 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCN(c3cccnn3)CC2)cn1 ZINC000263249609 380212890 /nfs/dbraw/zinc/21/28/90/380212890.db2.gz HARYTOWEDDUDOF-UHFFFAOYSA-N -1 0 314.305 -0.073 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC000263282425 380213408 /nfs/dbraw/zinc/21/34/08/380213408.db2.gz OTZCQABJAUTVLW-UHFFFAOYSA-N -1 0 308.294 -0.896 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)C(C)C ZINC000263161499 380213670 /nfs/dbraw/zinc/21/36/70/380213670.db2.gz IKYAXIJIYNGMAF-FOGDFJRCSA-N -1 0 300.355 -0.047 20 0 DBADRM COCC(=O)N1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC000263314182 380214040 /nfs/dbraw/zinc/21/40/40/380214040.db2.gz YLTIKILNGFPDGY-UHFFFAOYSA-N -1 0 308.294 -0.894 20 0 DBADRM CC(=O)NCCN(C(=O)c1cnn2ncccc12)[C@@H](C)C(=O)[O-] ZINC000263453802 380216836 /nfs/dbraw/zinc/21/68/36/380216836.db2.gz UAKNSPUZIYDZNR-VIFPVBQESA-N -1 0 319.321 -0.219 20 0 DBADRM C[C@](O)(CNS(=O)(=O)CCOCc1ccccc1)C(=O)[O-] ZINC000263508914 380219090 /nfs/dbraw/zinc/21/90/90/380219090.db2.gz WSGQNRPQKJVANF-ZDUSSCGKSA-N -1 0 317.363 -0.042 20 0 DBADRM C[C@@H]1CN(C(=O)CNC(=O)c2ncccc2O)C[C@H]1C(=O)[O-] ZINC000422567976 380292456 /nfs/dbraw/zinc/29/24/56/380292456.db2.gz AZQRCHYRQFPMAN-RKDXNWHRSA-N -1 0 307.306 -0.304 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C[C@H]1O ZINC000422645721 380293949 /nfs/dbraw/zinc/29/39/49/380293949.db2.gz VYXQKDQMDPHIEC-GHMZBOCLSA-N -1 0 308.290 -0.459 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000422662567 380294280 /nfs/dbraw/zinc/29/42/80/380294280.db2.gz QRTODPDHJKBUPX-LLVKDONJSA-N -1 0 321.333 -0.997 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422633708 380294876 /nfs/dbraw/zinc/29/48/76/380294876.db2.gz JPKWNZPOYLHCDT-QMMMGPOBSA-N -1 0 305.290 -0.330 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCC(C)(C)O)C1 ZINC000422700890 380295690 /nfs/dbraw/zinc/29/56/90/380295690.db2.gz CNRHETWYTNCLHH-VHSXEESVSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCCn2ccnc2)C1 ZINC000422695882 380296754 /nfs/dbraw/zinc/29/67/54/380296754.db2.gz QJDKTAPZHKOCNI-NEPJUHHUSA-N -1 0 322.365 -0.041 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@](C)(O)C2)C1 ZINC000422840894 380299656 /nfs/dbraw/zinc/29/96/56/380299656.db2.gz CHVGAWZHBOVSHU-ZETOZRRWSA-N -1 0 312.366 -0.071 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C[C@@H]1OC ZINC000422855174 380299944 /nfs/dbraw/zinc/29/99/44/380299944.db2.gz DRSHRUPLAWZAKD-DBIOUOCHSA-N -1 0 314.338 -0.962 20 0 DBADRM COCCCOC1CN(C(=O)C(=O)N(C)CCCC(=O)[O-])C1 ZINC000422854504 380300052 /nfs/dbraw/zinc/30/00/52/380300052.db2.gz AXAUOSVOQNFXAD-UHFFFAOYSA-N -1 0 316.354 -0.427 20 0 DBADRM COC(=O)C[C@H]1CCCN1C(=O)C(=O)N(C)CCCC(=O)[O-] ZINC000422853841 380300745 /nfs/dbraw/zinc/30/07/45/380300745.db2.gz SSXFLGLKCNANRC-SNVBAGLBSA-N -1 0 314.338 -0.136 20 0 DBADRM COCCN(C(=O)C(=O)N(C)CCCC(=O)[O-])[C@@H]1CCOC1 ZINC000422876774 380301483 /nfs/dbraw/zinc/30/14/83/380301483.db2.gz GNWAZPFDFRWUBD-LLVKDONJSA-N -1 0 316.354 -0.427 20 0 DBADRM COCCCOC1CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC000422865249 380301634 /nfs/dbraw/zinc/30/16/34/380301634.db2.gz XKHMJYBPFSYBTI-SNVBAGLBSA-N -1 0 316.354 -0.571 20 0 DBADRM COCCN(C(=O)C(=O)N(C)CCCC(=O)[O-])[C@H]1CCOC1 ZINC000422876775 380301920 /nfs/dbraw/zinc/30/19/20/380301920.db2.gz GNWAZPFDFRWUBD-NSHDSACASA-N -1 0 316.354 -0.427 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])[C@@H]1C ZINC000422927225 380303045 /nfs/dbraw/zinc/30/30/45/380303045.db2.gz YKXYHASFDVFSAJ-BDAKNGLRSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@H]1C ZINC000422918800 380303226 /nfs/dbraw/zinc/30/32/26/380303226.db2.gz IWDREOBMUJIWFW-LPEHRKFASA-N -1 0 314.338 -0.425 20 0 DBADRM CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000422896067 380303473 /nfs/dbraw/zinc/30/34/73/380303473.db2.gz HFFYCGCUYWVUCT-SDDRHHMPSA-N -1 0 312.366 -0.071 20 0 DBADRM CCOCCOC1CN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000422908710 380303677 /nfs/dbraw/zinc/30/36/77/380303677.db2.gz DQIMLNDVNGTIFG-UHFFFAOYSA-N -1 0 302.327 -0.817 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@H](CO)[C@H]1C)C(=O)[O-] ZINC000422932029 380303695 /nfs/dbraw/zinc/30/36/95/380303695.db2.gz YMAYOZAGHOROKR-GMTAPVOTSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@H]2CCO)C1 ZINC000422929697 380303885 /nfs/dbraw/zinc/30/38/85/380303885.db2.gz RDAWCZUZOJOXHS-WOPDTQHZSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC[C@H]1O ZINC000422941061 380305535 /nfs/dbraw/zinc/30/55/35/380305535.db2.gz UQFBWHAAZGZMQP-AZKPJATDSA-N -1 0 324.377 -0.071 20 0 DBADRM Cc1nc(CNC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])no1 ZINC000424512188 380395709 /nfs/dbraw/zinc/39/57/09/380395709.db2.gz ZQASQWHGDBTMKA-SECBINFHSA-N -1 0 312.326 -0.143 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCc1nccn1C)C(=O)[O-] ZINC000424513655 380396581 /nfs/dbraw/zinc/39/65/81/380396581.db2.gz DOPYLAHJORPJRK-SNVBAGLBSA-N -1 0 310.354 -0.101 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])CCC1=O ZINC000424510657 380396676 /nfs/dbraw/zinc/39/66/76/380396676.db2.gz YENRLDDUBNYGMD-VIFPVBQESA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCc1cccnn1)C(=O)[O-] ZINC000424493438 380389984 /nfs/dbraw/zinc/38/99/84/380389984.db2.gz CPFDYTMTEPRSRS-JTQLQIEISA-N -1 0 308.338 -0.044 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@H](CO)C1)C(=O)[O-] ZINC000424492936 380390159 /nfs/dbraw/zinc/39/01/59/380390159.db2.gz NLOJZTDAAFGCSX-QWRGUYRKSA-N -1 0 300.355 -0.310 20 0 DBADRM C[C@@H]1CN(C(=O)NCCNC(=O)c2ccn[nH]2)CC[C@H]1C(=O)[O-] ZINC000626759879 380349613 /nfs/dbraw/zinc/34/96/13/380349613.db2.gz UUSREDUBUKONIX-NXEZZACHSA-N -1 0 323.353 -0.108 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)CCO1 ZINC000626765785 380350982 /nfs/dbraw/zinc/35/09/82/380350982.db2.gz MXNQFODQJKZEKK-ILDUYXDCSA-N -1 0 313.354 -0.084 20 0 DBADRM O=C(CNC(=O)c1cccs1)NCCCc1n[nH]c(=O)[n-]1 ZINC000081815286 380351251 /nfs/dbraw/zinc/35/12/51/380351251.db2.gz UXLSSVVJJUCDSM-UHFFFAOYSA-N -1 0 309.351 -0.362 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)NCCCCCC(=O)[O-])CCO1 ZINC000626766992 380351274 /nfs/dbraw/zinc/35/12/74/380351274.db2.gz VWBWRMXARUPIPR-SNVBAGLBSA-N -1 0 301.343 -0.083 20 0 DBADRM C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(=O)N(C)C ZINC000612036100 380352895 /nfs/dbraw/zinc/35/28/95/380352895.db2.gz SZRVYCSEFRYKIM-SSDOTTSWSA-N -1 0 315.351 -0.754 20 0 DBADRM CC(C)(CCNC(=O)N1CCO[C@H](CC(N)=O)C1)C(=O)[O-] ZINC000626768909 380354931 /nfs/dbraw/zinc/35/49/31/380354931.db2.gz RDGHNKUYPPOBAH-SECBINFHSA-N -1 0 301.343 -0.227 20 0 DBADRM CCC[C@@H](NC(=O)[C@H]1CCN=C2C1=NNN2C)c1nnn[n-]1 ZINC000612062314 380358884 /nfs/dbraw/zinc/35/88/84/380358884.db2.gz VFOMGYYRXMXLFG-JGVFFNPUSA-N -1 0 305.346 -0.619 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CCO[C@@H](CC(N)=O)C1)C(=O)[O-] ZINC000626774651 380360831 /nfs/dbraw/zinc/36/08/31/380360831.db2.gz KWSSFUYCZINMGB-UWVGGRQHSA-N -1 0 301.343 -0.371 20 0 DBADRM Cc1nnc(CC(=O)NCCNC(=O)c2ccc(O)cc2)[nH]1 ZINC000612620949 380424540 /nfs/dbraw/zinc/42/45/40/380424540.db2.gz PEGNXOYYLTYGKT-UHFFFAOYSA-N -1 0 303.322 -0.093 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(O)C[C@H]3C2)cn1 ZINC000618756313 380440602 /nfs/dbraw/zinc/44/06/02/380440602.db2.gz UVAAPPWPSUWRDH-GXFFZTMASA-N -1 0 311.363 -0.413 20 0 DBADRM Cn1[n-]c(C(=O)N2CC[C@H](OCCN3CCOCC3)C2)cc1=O ZINC000612387884 380397660 /nfs/dbraw/zinc/39/76/60/380397660.db2.gz ATGQZFSRQGIYFO-LBPRGKRZSA-N -1 0 324.381 -0.311 20 0 DBADRM C[C@@H](CO)[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612500103 380412475 /nfs/dbraw/zinc/41/24/75/380412475.db2.gz GJLYOOOAAZRRRB-JGVFFNPUSA-N -1 0 302.352 -0.214 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC ZINC000356589161 291752339 /nfs/dbraw/zinc/75/23/39/291752339.db2.gz GZLOMUGSWKXLLJ-UTLUCORTSA-N -1 0 323.367 -0.829 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)Cn2ccc(=O)[nH]c2=O)c1 ZINC000314888403 380487392 /nfs/dbraw/zinc/48/73/92/380487392.db2.gz AHMUVUKGOPBHBA-UHFFFAOYSA-N -1 0 303.274 -0.037 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@H]1O ZINC000613188429 380507890 /nfs/dbraw/zinc/50/78/90/380507890.db2.gz UQGBNNMIOUJJDM-RDDDGLTNSA-N -1 0 300.336 -0.508 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c1[O-] ZINC000628547494 380517402 /nfs/dbraw/zinc/51/74/02/380517402.db2.gz LQTLYZJKAHYQRB-UHFFFAOYSA-N -1 0 314.367 -0.326 20 0 DBADRM C[C@@]1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCOC1 ZINC000613006941 380469913 /nfs/dbraw/zinc/46/99/13/380469913.db2.gz CCOCGXJPNRIZOU-GFCCVEGCSA-N -1 0 300.336 -0.052 20 0 DBADRM C[C@]1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCOC1 ZINC000613006945 380470573 /nfs/dbraw/zinc/47/05/73/380470573.db2.gz CCOCGXJPNRIZOU-LBPRGKRZSA-N -1 0 300.336 -0.052 20 0 DBADRM C[C@](NC(=O)CCN1CCCS1(=O)=O)(C(=O)[O-])C1CC1 ZINC000537401630 380475905 /nfs/dbraw/zinc/47/59/05/380475905.db2.gz WYXCNSYWWTXXCJ-GFCCVEGCSA-N -1 0 304.368 -0.219 20 0 DBADRM Cn1[n-]c(C(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1=O ZINC000628809968 380562982 /nfs/dbraw/zinc/56/29/82/380562982.db2.gz QFVJLOIIRSNXAD-RKDXNWHRSA-N -1 0 316.383 -0.284 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000629338154 380631663 /nfs/dbraw/zinc/63/16/63/380631663.db2.gz JZFWYNOZUUSHDP-GHMZBOCLSA-N -1 0 324.399 -0.331 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)C(=O)c1ccc(O)cc1 ZINC000629338261 380631884 /nfs/dbraw/zinc/63/18/84/380631884.db2.gz FOKJPZNBQBCRHM-UHFFFAOYSA-N -1 0 300.336 -0.370 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCOC1)NS(=O)(=O)c1c[nH]cn1 ZINC000629340052 380633543 /nfs/dbraw/zinc/63/35/43/380633543.db2.gz XVROGBQXNLWVKR-IUCAKERBSA-N -1 0 303.340 -0.042 20 0 DBADRM NS(=O)(=O)NC1CCN(C(=O)c2ccc(O)cc2F)CC1 ZINC000629186499 380607305 /nfs/dbraw/zinc/60/73/05/380607305.db2.gz TXOMXZGLINWLFK-UHFFFAOYSA-N -1 0 317.342 -0.071 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c(F)c1F ZINC000629285127 380621652 /nfs/dbraw/zinc/62/16/52/380621652.db2.gz QEGZGBNYXUCSKR-UHFFFAOYSA-N -1 0 322.289 -0.248 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])n1C ZINC000629292453 380622063 /nfs/dbraw/zinc/62/20/63/380622063.db2.gz MRCHKFWCTBNBLR-SECBINFHSA-N -1 0 313.339 -0.574 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])n1C ZINC000629293219 380622689 /nfs/dbraw/zinc/62/26/89/380622689.db2.gz HDCJTPZBMJFYHC-NXEZZACHSA-N -1 0 317.367 -0.113 20 0 DBADRM CCOC1(CS(=O)(=O)N2CC(C(=O)[O-])C2)CCOCC1 ZINC000629297245 380623815 /nfs/dbraw/zinc/62/38/15/380623815.db2.gz CDHGJVUFYIKJEK-UHFFFAOYSA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@](CO)(CNS(=O)(=O)[C@H]1COC(C)(C)C1)CC(=O)[O-] ZINC000629300088 380623838 /nfs/dbraw/zinc/62/38/38/380623838.db2.gz BSEBQUDXFBRSOU-BXKDBHETSA-N -1 0 309.384 -0.053 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1cnc(C)n1C)C(=O)[O-] ZINC000629295747 380623892 /nfs/dbraw/zinc/62/38/92/380623892.db2.gz ODDIXLCLZQGRCM-WCBMZHEXSA-N -1 0 305.356 -0.379 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N1CCOC[C@H]1C(=O)[O-])C1CC1 ZINC000629299091 380624277 /nfs/dbraw/zinc/62/42/77/380624277.db2.gz LXMYFVFEGKHNQP-QWRGUYRKSA-N -1 0 307.368 -0.083 20 0 DBADRM Cc1ncc(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])n1C ZINC000629299103 380624406 /nfs/dbraw/zinc/62/44/06/380624406.db2.gz MASAVCCJRQNKHM-MRVPVSSYSA-N -1 0 305.356 -0.425 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2cnn(C)c2)[C@](C)(C(=O)[O-])C1 ZINC000629310635 380625504 /nfs/dbraw/zinc/62/55/04/380625504.db2.gz VHAVYEPEIQNQKO-KCJUWKMLSA-N -1 0 303.340 -0.327 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(OC)n[nH]2)cn1C ZINC000629314010 380625566 /nfs/dbraw/zinc/62/55/66/380625566.db2.gz ASQXNCJEGYNNES-UHFFFAOYSA-N -1 0 313.339 -0.083 20 0 DBADRM CCn1cc(S(=O)(=O)NCc2ncc(C(=O)[O-])cn2)cn1 ZINC000629313581 380625713 /nfs/dbraw/zinc/62/57/13/380625713.db2.gz BMDYHURQDUVBPZ-UHFFFAOYSA-N -1 0 311.323 -0.130 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000629313625 380625754 /nfs/dbraw/zinc/62/57/54/380625754.db2.gz CFALXFXGDQNEFD-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)[C@@](C)(C(=O)[O-])C1 ZINC000629310402 380625889 /nfs/dbraw/zinc/62/58/89/380625889.db2.gz RPMNJONTOSHHAE-GZMMTYOYSA-N -1 0 303.340 -0.327 20 0 DBADRM O=C([O-])c1cnc(CNS(=O)(=O)c2cnc3n2CCC3)nc1 ZINC000629314509 380627519 /nfs/dbraw/zinc/62/75/19/380627519.db2.gz VNQNLWXLZRYJQG-UHFFFAOYSA-N -1 0 323.334 -0.204 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3cn[nH]c3)cnc21 ZINC000443287532 380655611 /nfs/dbraw/zinc/65/56/11/380655611.db2.gz RIAUZYWGVKKGPD-UHFFFAOYSA-N -1 0 322.306 -0.442 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CCO)CC[C@H]1C(=O)[O-] ZINC000629778330 380717519 /nfs/dbraw/zinc/71/75/19/380717519.db2.gz AAAPDQQQEANXSZ-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM O=C1C[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)CN1C1CC1 ZINC000195333712 380717655 /nfs/dbraw/zinc/71/76/55/380717655.db2.gz AJEYTJARPCDRGD-ZCFIWIBFSA-N -1 0 301.290 -0.264 20 0 DBADRM C[C@H](O)CN1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000195461684 380718169 /nfs/dbraw/zinc/71/81/69/380718169.db2.gz RVRZHJUUOGBOJU-QMMMGPOBSA-N -1 0 305.322 -0.619 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC(C(C)(C)O)C2)CC[C@H]1C(=O)[O-] ZINC000629775092 380718233 /nfs/dbraw/zinc/71/82/33/380718233.db2.gz RSXAFNCKLJBMHT-MWLCHTKSSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CCn2cccn2)CC[C@H]1C(=O)[O-] ZINC000629778388 380719084 /nfs/dbraw/zinc/71/90/84/380719084.db2.gz WBSYBTYMHWFHSX-VXGBXAGGSA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@H]1CN(S(=O)(=O)[N-]CC(F)(F)F)CCN1CCO ZINC000195463176 380719115 /nfs/dbraw/zinc/71/91/15/380719115.db2.gz BBEMVGQRDSVQPQ-QMMMGPOBSA-N -1 0 305.322 -0.619 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CCF)C2)C1 ZINC000629781395 380719746 /nfs/dbraw/zinc/71/97/46/380719746.db2.gz LZOUXTYFKRJIII-NXEZZACHSA-N -1 0 302.302 -0.494 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCCC(F)(F)CC2)CCO1 ZINC000629781728 380720174 /nfs/dbraw/zinc/72/01/74/380720174.db2.gz RRTYDJQFGHHHHO-SECBINFHSA-N -1 0 320.292 -0.054 20 0 DBADRM CCOC[C@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CCO1 ZINC000629782909 380720927 /nfs/dbraw/zinc/72/09/27/380720927.db2.gz LKGFQZOGJFJRNI-WDEREUQCSA-N -1 0 316.354 -0.571 20 0 DBADRM CCOC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CCO1 ZINC000629782680 380721123 /nfs/dbraw/zinc/72/11/23/380721123.db2.gz GXJSTIBWJQKPQH-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cncn2C)C1=O ZINC000455775106 380721233 /nfs/dbraw/zinc/72/12/33/380721233.db2.gz BIRZEWFHEKACDT-KOLCDFICSA-N -1 0 308.338 -0.140 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCO[C@@H]3CCC[C@@H]32)CCO1 ZINC000629782404 380721316 /nfs/dbraw/zinc/72/13/16/380721316.db2.gz DJBIHYLVONVCGA-HBNTYKKESA-N -1 0 312.322 -0.922 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)CC[C@@H]1C(=O)[O-] ZINC000629783161 380721498 /nfs/dbraw/zinc/72/14/98/380721498.db2.gz FZGAOWRTNLKWPT-KSSYENDESA-N -1 0 324.377 -0.073 20 0 DBADRM CN1C(=O)C[C@@H](NS(=O)(=O)C[C@H]2C(C)(C)C2(F)F)C1=O ZINC000641482476 380924681 /nfs/dbraw/zinc/92/46/81/380924681.db2.gz QAQNCIBIDQBPST-RQJHMYQMSA-N -1 0 310.322 -0.046 20 0 DBADRM CCN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)[C@@H]1CCS(=O)(=O)C1 ZINC000222469955 381071442 /nfs/dbraw/zinc/07/14/42/381071442.db2.gz NPRIFQXFKDKFLD-KXUCPTDWSA-N -1 0 305.352 -0.346 20 0 DBADRM CO[C@H](CNC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)[O-] ZINC000227277525 381083245 /nfs/dbraw/zinc/08/32/45/381083245.db2.gz OUBZGPRSLVVVLJ-SNVBAGLBSA-N -1 0 316.335 -0.113 20 0 DBADRM C[C@@H](CCCNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000229514986 381093076 /nfs/dbraw/zinc/09/30/76/381093076.db2.gz INYQXJPRSMSBPV-QMMMGPOBSA-N -1 0 317.367 -0.097 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCN(C)C2=O)cc1C(=O)[O-] ZINC000230953041 381104035 /nfs/dbraw/zinc/10/40/35/381104035.db2.gz HHRBHQHIHILKDX-MRVPVSSYSA-N -1 0 301.324 -0.768 20 0 DBADRM NC(=O)COCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000230956450 381104500 /nfs/dbraw/zinc/10/45/00/381104500.db2.gz VOAXLNPVRPQIHQ-UHFFFAOYSA-N -1 0 320.298 -0.696 20 0 DBADRM COC[C@@H](C[N-]S(=O)(=O)c1scnc1C(=O)OC)OC ZINC000231521525 381104741 /nfs/dbraw/zinc/10/47/41/381104741.db2.gz POJPALYMFFUYNG-SSDOTTSWSA-N -1 0 324.380 -0.131 20 0 DBADRM O=C([O-])Cn1cc(CNC(=O)c2ccc3n[nH]nc3c2)nn1 ZINC000316503471 381145290 /nfs/dbraw/zinc/14/52/90/381145290.db2.gz RPFRFSMGBMYNRI-UHFFFAOYSA-N -1 0 301.266 -0.436 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCCC(=O)OC)C1 ZINC000387212114 381158607 /nfs/dbraw/zinc/15/86/07/381158607.db2.gz DVLLKCVYKOGYSG-GFCCVEGCSA-N -1 0 323.367 -0.308 20 0 DBADRM CC(C)N1CC(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000613656255 381170183 /nfs/dbraw/zinc/17/01/83/381170183.db2.gz WYLSZCMYFHCFMK-UHFFFAOYSA-N -1 0 313.379 -0.138 20 0 DBADRM C[C@H]1C[C@@H](O)CN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613874162 381201838 /nfs/dbraw/zinc/20/18/38/381201838.db2.gz KKYTYOTXPBGLNK-JGVFFNPUSA-N -1 0 300.336 -0.365 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCCCCO)c1 ZINC000614210247 381235781 /nfs/dbraw/zinc/23/57/81/381235781.db2.gz DCRCRIBIDJVEHS-UHFFFAOYSA-N -1 0 302.352 -0.068 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)C[C@H]2CCOC2)CC1 ZINC000530141437 381292695 /nfs/dbraw/zinc/29/26/95/381292695.db2.gz VMAHGBPYNVDOBL-NSHDSACASA-N -1 0 320.411 -0.167 20 0 DBADRM Cn1nc(C(F)(F)F)cc1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000530135960 381292709 /nfs/dbraw/zinc/29/27/09/381292709.db2.gz BZGVQSVLINGPDP-BYPYZUCNSA-N -1 0 317.245 -0.837 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CC[C@@](OC)(C(=O)[O-])C1)C1CC1 ZINC000530151287 381293655 /nfs/dbraw/zinc/29/36/55/381293655.db2.gz IUEBYLQDTXFISD-PWSUYJOCSA-N -1 0 307.368 -0.083 20 0 DBADRM COC[C@H](NS(=O)(=O)c1c(C(=O)[O-])cnn1C)C1CC1 ZINC000530151453 381293696 /nfs/dbraw/zinc/29/36/96/381293696.db2.gz BKPXEXBACUNAKO-VIFPVBQESA-N -1 0 303.340 -0.178 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cc(C)on2)C1 ZINC000530150640 381293709 /nfs/dbraw/zinc/29/37/09/381293709.db2.gz PBEHGGIRULGUIO-NSHDSACASA-N -1 0 304.324 -0.012 20 0 DBADRM CCn1ncc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC000530149588 381293765 /nfs/dbraw/zinc/29/37/65/381293765.db2.gz FEMUDZFNELZXPZ-VIFPVBQESA-N -1 0 303.344 -0.819 20 0 DBADRM CC1(C)OC[C@@H]2C[C@@]21NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000530149258 381293900 /nfs/dbraw/zinc/29/39/00/381293900.db2.gz AHOTVCKGDLTAGX-UPONEAKYSA-N -1 0 301.324 -0.046 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)NC[C@]1(C)CCOC1 ZINC000530151423 381294088 /nfs/dbraw/zinc/29/40/88/381294088.db2.gz ABNMPGLYOXDKBF-NSHDSACASA-N -1 0 303.340 -0.177 20 0 DBADRM CCn1nncc1CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC000530151368 381294220 /nfs/dbraw/zinc/29/42/20/381294220.db2.gz ZENLYKLYVULNPE-UHFFFAOYSA-N -1 0 311.323 -0.130 20 0 DBADRM CCn1ncc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)n1 ZINC000530153554 381296078 /nfs/dbraw/zinc/29/60/78/381296078.db2.gz WTPHIJWORIEUNM-UHFFFAOYSA-N -1 0 314.327 -0.942 20 0 DBADRM COc1ccc(S(=O)(=O)N2CC[C@](OC)(C(=O)[O-])C2)cn1 ZINC000530154540 381296212 /nfs/dbraw/zinc/29/62/12/381296212.db2.gz VRCIVFJKDBAZCA-GFCCVEGCSA-N -1 0 316.335 -0.046 20 0 DBADRM C[C@H]1C[C@@H](NS(=O)(=O)c2c(C(=O)[O-])cnn2C)CCO1 ZINC000530155651 381296264 /nfs/dbraw/zinc/29/62/64/381296264.db2.gz WLFBFUCPMUKZBC-YUMQZZPRSA-N -1 0 303.340 -0.036 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N1CCc2cncnc2C1 ZINC000530153680 381296307 /nfs/dbraw/zinc/29/63/07/381296307.db2.gz JPQWHZYGSZNXBF-UHFFFAOYSA-N -1 0 323.334 -0.345 20 0 DBADRM CCOC[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCO1 ZINC000530153894 381296394 /nfs/dbraw/zinc/29/63/94/381296394.db2.gz ZJXDFXSCYHQVLQ-GHMZBOCLSA-N -1 0 322.383 -0.483 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000530266612 381299116 /nfs/dbraw/zinc/29/91/16/381299116.db2.gz GKYFMYQZHISBON-QMMMGPOBSA-N -1 0 318.355 -0.595 20 0 DBADRM CCNC(=O)N1CCN(C(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)CC1 ZINC000630104359 381322872 /nfs/dbraw/zinc/32/28/72/381322872.db2.gz HCICIGZJVSAVQA-DCAQKATOSA-N -1 0 313.354 -0.262 20 0 DBADRM CCN(C(=O)Cn1cc(C(=O)[O-])cn1)[C@@H](C)CS(C)(=O)=O ZINC000630118455 381324490 /nfs/dbraw/zinc/32/44/90/381324490.db2.gz JLJFXMXZPSTRQZ-VIFPVBQESA-N -1 0 317.367 -0.137 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CCO1 ZINC000630119251 381324875 /nfs/dbraw/zinc/32/48/75/381324875.db2.gz SOKSAYUJHKWHIX-HJQYOEGKSA-N -1 0 314.338 -0.772 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1 ZINC000630118176 381324943 /nfs/dbraw/zinc/32/49/43/381324943.db2.gz GQYZXSQTMIQRSN-JXUBOQSCSA-N -1 0 307.368 -0.196 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000538224673 381325339 /nfs/dbraw/zinc/32/53/39/381325339.db2.gz JABZFSFYEGVRDK-SECBINFHSA-N -1 0 316.387 -0.813 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)C1=O ZINC000630123830 381326377 /nfs/dbraw/zinc/32/63/77/381326377.db2.gz SJKYMLDIAKCMHC-DKIAZLNASA-N -1 0 312.322 -0.483 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2cc(C(=O)[O-])nn2C)CC1=O ZINC000630124407 381326607 /nfs/dbraw/zinc/32/66/07/381326607.db2.gz VCSWKLBNJXHOMU-WEDXCCLWSA-N -1 0 306.322 -0.143 20 0 DBADRM COCCOc1cccc(CC(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000126405113 381330656 /nfs/dbraw/zinc/33/06/56/381330656.db2.gz JZOPORGODOLWBA-UHFFFAOYSA-N -1 0 306.322 -0.018 20 0 DBADRM CCS(=O)(=O)NCCC[N-]S(=O)(=O)CC(F)(F)F ZINC000538677449 381336097 /nfs/dbraw/zinc/33/60/97/381336097.db2.gz AKNCJPAVIKOZOH-UHFFFAOYSA-N -1 0 312.335 -0.203 20 0 DBADRM Cc1c([C@@H](NS(=O)(=O)c2cn(C)cn2)C(=O)[O-])cnn1C ZINC000530383417 381309837 /nfs/dbraw/zinc/30/98/37/381309837.db2.gz WIVQISBXBWBIEA-SNVBAGLBSA-N -1 0 313.339 -0.434 20 0 DBADRM Cc1oc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1S(C)(=O)=O ZINC000630146523 381347654 /nfs/dbraw/zinc/34/76/54/381347654.db2.gz AWMVAWPVGLYZEW-GFCCVEGCSA-N -1 0 317.319 -0.035 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)n1 ZINC000627265563 381349796 /nfs/dbraw/zinc/34/97/96/381349796.db2.gz KIJSHSTZSIIDAP-BXKDBHETSA-N -1 0 320.349 -0.030 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1cn(C2CC2)nn1)C(=O)[O-] ZINC000630170041 381352224 /nfs/dbraw/zinc/35/22/24/381352224.db2.gz ICCSYUDOBOGSKN-JTQLQIEISA-N -1 0 323.353 -0.042 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cc1cnn(C)c1 ZINC000630158821 381352314 /nfs/dbraw/zinc/35/23/14/381352314.db2.gz VNHLOFKCKBQYQP-LBPRGKRZSA-N -1 0 322.365 -0.256 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000539324421 381352417 /nfs/dbraw/zinc/35/24/17/381352417.db2.gz DIGUILKNYPLURM-JTQLQIEISA-N -1 0 318.337 -0.218 20 0 DBADRM CC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)[O-] ZINC000539572064 381355978 /nfs/dbraw/zinc/35/59/78/381355978.db2.gz XDYOUIDHECOVIA-QMMMGPOBSA-N -1 0 303.340 -0.142 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC000630204195 381362629 /nfs/dbraw/zinc/36/26/29/381362629.db2.gz JGZWHFQEMNLFPE-UHFFFAOYSA-N -1 0 319.325 -0.941 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000630196686 381363054 /nfs/dbraw/zinc/36/30/54/381363054.db2.gz HPLHQGNERFKNJG-NWDGAFQWSA-N -1 0 309.322 -0.012 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000630202372 381363285 /nfs/dbraw/zinc/36/32/85/381363285.db2.gz XJIIPWNNJGLMMC-JTQLQIEISA-N -1 0 313.335 -0.457 20 0 DBADRM Cn1nccc1COCC(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000630217217 381364545 /nfs/dbraw/zinc/36/45/45/381364545.db2.gz YFUGPZIXWGBNHP-CYBMUJFWSA-N -1 0 311.338 -0.067 20 0 DBADRM O=C(N1CCC[C@@H](c2nnn[n-]2)C1)[C@@]12CCC(=O)N1CCS2 ZINC000540427344 381366070 /nfs/dbraw/zinc/36/60/70/381366070.db2.gz QNHKADKNEDBIGA-RNCFNFMXSA-N -1 0 322.394 -0.029 20 0 DBADRM O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000540424852 381366463 /nfs/dbraw/zinc/36/64/63/381366463.db2.gz RUOSIYWZAQUUAN-ZJUUUORDSA-N -1 0 304.354 -0.083 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000630223789 381366552 /nfs/dbraw/zinc/36/65/52/381366552.db2.gz MMVVKXFIKBXGOB-UHFFFAOYSA-N -1 0 320.411 -0.183 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000630226852 381366571 /nfs/dbraw/zinc/36/65/71/381366571.db2.gz SGTFAACYJORTJT-UHFFFAOYSA-N -1 0 306.384 -0.572 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000630281057 381379271 /nfs/dbraw/zinc/37/92/71/381379271.db2.gz DHLIONNZALCTPB-VWYCJHECSA-N -1 0 318.395 -0.020 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000540704393 381368744 /nfs/dbraw/zinc/36/87/44/381368744.db2.gz ZHYKKOUEBXPAPU-LBPRGKRZSA-N -1 0 322.383 -0.688 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)nn1 ZINC000540706957 381368926 /nfs/dbraw/zinc/36/89/26/381368926.db2.gz SIHBLKJGFODQLC-ZDUSSCGKSA-N -1 0 309.326 -0.651 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N2CCN(c3nccnn3)CC2)c1 ZINC000630230957 381369119 /nfs/dbraw/zinc/36/91/19/381369119.db2.gz QTTUFRQRVIDLBB-UHFFFAOYSA-N -1 0 314.305 -0.073 20 0 DBADRM O=C([O-])C1CC(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000630235415 381369380 /nfs/dbraw/zinc/36/93/80/381369380.db2.gz DEKWZIUUBUIMFU-UHFFFAOYSA-N -1 0 316.379 -0.266 20 0 DBADRM CC(=O)NCCN(C(=O)COC[C@H]1CCCO1)[C@H](C)C(=O)[O-] ZINC000540966205 381372553 /nfs/dbraw/zinc/37/25/53/381372553.db2.gz UYGHEEIKWWBWSA-ZYHUDNBSSA-N -1 0 316.354 -0.380 20 0 DBADRM CN(C)c1ncc(NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cn1 ZINC000540913126 381373645 /nfs/dbraw/zinc/37/36/45/381373645.db2.gz RMVIKEABMJRBMZ-VIFPVBQESA-N -1 0 319.325 -0.690 20 0 DBADRM COc1ncncc1NC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000540913432 381373847 /nfs/dbraw/zinc/37/38/47/381373847.db2.gz JGIINJDOLDCQTA-MRVPVSSYSA-N -1 0 306.282 -0.747 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000630249811 381375270 /nfs/dbraw/zinc/37/52/70/381375270.db2.gz OPWYOEKDCRWUHY-CQSZACIVSA-N -1 0 320.305 -0.802 20 0 DBADRM COc1ncnc(OC)c1C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC000630253346 381375446 /nfs/dbraw/zinc/37/54/46/381375446.db2.gz DIELBFVEADBNGB-ZDUSSCGKSA-N -1 0 311.294 -0.191 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NCCOCC(=O)[O-])c(C)o1 ZINC000630263326 381377835 /nfs/dbraw/zinc/37/78/35/381377835.db2.gz WRHWGFQSHBWCJB-UHFFFAOYSA-N -1 0 320.323 -0.673 20 0 DBADRM C[C@H](CN(C)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC000630444026 381417018 /nfs/dbraw/zinc/41/70/18/381417018.db2.gz RVYCXDZBOVCYIP-PSASIEDQSA-N -1 0 304.368 -0.268 20 0 DBADRM COCc1nc(=NC(=O)CCCN2C(=O)CCC2=O)s[n-]1 ZINC000543173954 381407892 /nfs/dbraw/zinc/40/78/92/381407892.db2.gz HYTJDQZEIXELBO-UHFFFAOYSA-N -1 0 312.351 -0.026 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1=O ZINC000630441965 381417333 /nfs/dbraw/zinc/41/73/33/381417333.db2.gz TURGTSDYWSHOEX-SNVBAGLBSA-N -1 0 304.368 -0.266 20 0 DBADRM CO[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000129715630 381384324 /nfs/dbraw/zinc/38/43/24/381384324.db2.gz RLUZLEMRPYRRRE-NXEZZACHSA-N -1 0 304.306 -0.091 20 0 DBADRM CO[C@H]1CN(C(=O)CCCS(C)(=O)=O)[C@@](C)(C(=O)[O-])C1 ZINC000630307580 381385624 /nfs/dbraw/zinc/38/56/24/381385624.db2.gz ALFONZZNJPDTIE-BXKDBHETSA-N -1 0 307.368 -0.098 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CCN1CCCS1(=O)=O ZINC000630314269 381388029 /nfs/dbraw/zinc/38/80/29/381388029.db2.gz PKBPFDJKKOSWSB-ZJUUUORDSA-N -1 0 304.368 -0.219 20 0 DBADRM CC(C)(C(=O)NC[C@@]1(C(=O)[O-])CCCOC1)S(C)(=O)=O ZINC000630338402 381389467 /nfs/dbraw/zinc/38/94/67/381389467.db2.gz FKGSIPZJWDNEKP-LBPRGKRZSA-N -1 0 307.368 -0.193 20 0 DBADRM O=C([O-])C12CCC(CC1)N2C(=O)CN1CCCS1(=O)=O ZINC000630325499 381390343 /nfs/dbraw/zinc/39/03/43/381390343.db2.gz VBXBMQNTGKDXEB-UHFFFAOYSA-N -1 0 302.352 -0.370 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2cnn(C)c2)CC[C@@H]1C(=O)[O-] ZINC000627268186 381422532 /nfs/dbraw/zinc/42/25/32/381422532.db2.gz YNQJXTBXANJBMX-ONGXEEELSA-N -1 0 308.338 -0.395 20 0 DBADRM O=C([O-])CN(CC1CC1)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000630445965 381418535 /nfs/dbraw/zinc/41/85/35/381418535.db2.gz NKZWSZROWJAZPZ-LLVKDONJSA-N -1 0 316.379 -0.124 20 0 DBADRM CO[C@H](CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)CC(=O)[O-] ZINC000232107952 381418868 /nfs/dbraw/zinc/41/88/68/381418868.db2.gz IUKDYBSKNZRENX-GUBZILKMSA-N -1 0 310.372 -0.580 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)[O-] ZINC000547551118 381485042 /nfs/dbraw/zinc/48/50/42/381485042.db2.gz YHKMWBDJIDHDBI-BDAKNGLRSA-N -1 0 311.356 -0.263 20 0 DBADRM O=C([C@H]1CCCCS1(=O)=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000547485438 381479528 /nfs/dbraw/zinc/47/95/28/381479528.db2.gz CPSBRNYAJXRWJP-VHSXEESVSA-N -1 0 313.383 -0.127 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)[C@@H]2CCOC2)C(=O)[O-])c1 ZINC000547556717 381485406 /nfs/dbraw/zinc/48/54/06/381485406.db2.gz CFMWNJAUIPQPIX-NXEZZACHSA-N -1 0 303.340 -0.647 20 0 DBADRM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000134677502 381483185 /nfs/dbraw/zinc/48/31/85/381483185.db2.gz CDOSAPLOKSHXOP-ZCFIWIBFSA-N -1 0 321.380 -0.267 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H]1COCCO1 ZINC000134691472 381484618 /nfs/dbraw/zinc/48/46/18/381484618.db2.gz JLDCVTTTYSCNPO-SSDOTTSWSA-N -1 0 322.364 -0.377 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCN(Cc2cccnc2)CC1 ZINC000630677010 381503572 /nfs/dbraw/zinc/50/35/72/381503572.db2.gz JYDANXXSGWGYQY-UHFFFAOYSA-N -1 0 301.354 -0.128 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cnn1C ZINC000627272407 381515213 /nfs/dbraw/zinc/51/52/13/381515213.db2.gz NOTLKEQKPGVISI-CABZTGNLSA-N -1 0 322.365 -0.086 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000548199125 381517775 /nfs/dbraw/zinc/51/77/75/381517775.db2.gz HMXZSYUKKMOXSN-LLVKDONJSA-N -1 0 316.383 -0.028 20 0 DBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1CCOC(C)(C)C1 ZINC000548250600 381521130 /nfs/dbraw/zinc/52/11/30/381521130.db2.gz QYDYAGCCDXUJQP-SNVBAGLBSA-N -1 0 324.399 -0.237 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C)cnc1N ZINC000547586971 381486492 /nfs/dbraw/zinc/48/64/92/381486492.db2.gz UFEBPAPDIJDSCU-MRVPVSSYSA-N -1 0 303.340 -0.308 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCCC[C@H](C)C(=O)[O-] ZINC000547568972 381486721 /nfs/dbraw/zinc/48/67/21/381486721.db2.gz HQJWJQKHQRQTNH-VIFPVBQESA-N -1 0 310.372 -0.183 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](C(=O)[O-])C1CCC1 ZINC000547582051 381486748 /nfs/dbraw/zinc/48/67/48/381486748.db2.gz GXSHDJPZGMQFQR-LLVKDONJSA-N -1 0 324.399 -0.331 20 0 DBADRM CN1CCc2ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc21 ZINC000547564553 381486989 /nfs/dbraw/zinc/48/69/89/381486989.db2.gz BGSQMJZDJDJTAY-NSHDSACASA-N -1 0 300.336 -0.597 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCC1CC1 ZINC000547597671 381487928 /nfs/dbraw/zinc/48/79/28/381487928.db2.gz QTKPFJVXJPDVIO-UWVGGRQHSA-N -1 0 304.368 -0.233 20 0 DBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)CCC1CC1 ZINC000547597670 381488238 /nfs/dbraw/zinc/48/82/38/381488238.db2.gz QTKPFJVXJPDVIO-NXEZZACHSA-N -1 0 304.368 -0.233 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)CCC(=O)OCC)C(=O)[O-] ZINC000547608624 381488545 /nfs/dbraw/zinc/48/85/45/381488545.db2.gz HIBJYYVKNHQSDW-WPRPVWTQSA-N -1 0 311.356 -0.527 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCCn2ccnn2)CC[C@H]1C(=O)[O-] ZINC000627273089 381519556 /nfs/dbraw/zinc/51/95/56/381519556.db2.gz ZQWBAHKGTIEPCL-WDEREUQCSA-N -1 0 323.353 -0.646 20 0 DBADRM O=C([O-])Cn1cc(CNS(=O)(=O)C[C@H]2CCCCO2)nn1 ZINC000547611151 381488677 /nfs/dbraw/zinc/48/86/77/381488677.db2.gz FRYLDFMMZJYYBG-SNVBAGLBSA-N -1 0 318.355 -0.649 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)cn1C ZINC000548205469 381519693 /nfs/dbraw/zinc/51/96/93/381519693.db2.gz ZVPZFUKLIBUSSY-SCZZXKLOSA-N -1 0 303.340 -0.503 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547874612 381499371 /nfs/dbraw/zinc/49/93/71/381499371.db2.gz IPSGUQBHTMPUTD-ZJUUUORDSA-N -1 0 317.367 -0.195 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)NC[C@H](C)C(=O)[O-] ZINC000547869616 381500025 /nfs/dbraw/zinc/50/00/25/381500025.db2.gz GZBUHKLEMGIRKJ-YFKPBYRVSA-N -1 0 308.337 -0.071 20 0 DBADRM CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC000548216133 381520122 /nfs/dbraw/zinc/52/01/22/381520122.db2.gz FCBRCFPSBXRKJK-VIFPVBQESA-N -1 0 315.413 -0.066 20 0 DBADRM CCCN(C)S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000547886168 381501608 /nfs/dbraw/zinc/50/16/08/381501608.db2.gz QDHFCYYQDWWNTC-VIFPVBQESA-N -1 0 307.372 -0.904 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)c1cncc(F)c1)[C@H]1CCOC1 ZINC000547882922 381502104 /nfs/dbraw/zinc/50/21/04/381502104.db2.gz YEPVOOOEWRPJGE-XVKPBYJWSA-N -1 0 304.299 -0.011 20 0 DBADRM C[C@@H](CCC(=O)[O-])CNS(=O)(=O)CCCS(C)(=O)=O ZINC000547888681 381502265 /nfs/dbraw/zinc/50/22/65/381502265.db2.gz AROSHWSIXBDITE-VIFPVBQESA-N -1 0 315.413 -0.159 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000547881922 381502483 /nfs/dbraw/zinc/50/24/83/381502483.db2.gz GZJDYGHAWZLNRF-SNVBAGLBSA-N -1 0 320.371 -0.943 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-] ZINC000548540397 381537167 /nfs/dbraw/zinc/53/71/67/381537167.db2.gz MDOABMPKHOPFFX-VIFPVBQESA-N -1 0 302.308 -0.837 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])cs1 ZINC000548541560 381537500 /nfs/dbraw/zinc/53/75/00/381537500.db2.gz HLCBTKKJWNTVSB-ZETCQYMHSA-N -1 0 323.348 -0.087 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N[C@@H](COC)C(=O)[O-])c1C ZINC000548552031 381537748 /nfs/dbraw/zinc/53/77/48/381537748.db2.gz OZOOLPKMCZIRNI-VIFPVBQESA-N -1 0 305.356 -0.102 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCCF ZINC000548573240 381539013 /nfs/dbraw/zinc/53/90/13/381539013.db2.gz FRXHIDZDWKXGFS-MRVPVSSYSA-N -1 0 317.360 -0.751 20 0 DBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)C[C@H](C)C(=O)OC ZINC000548577724 381539607 /nfs/dbraw/zinc/53/96/07/381539607.db2.gz RRFFWURYCULKIE-IUCAKERBSA-N -1 0 311.356 -0.453 20 0 DBADRM CC1(C)CN(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)CCO1 ZINC000548592552 381541430 /nfs/dbraw/zinc/54/14/30/381541430.db2.gz ITJNEOQNHAVCNN-UWVGGRQHSA-N -1 0 304.368 -0.039 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000548592842 381541626 /nfs/dbraw/zinc/54/16/26/381541626.db2.gz UAXKZRXWMAZELR-WCBMZHEXSA-N -1 0 305.356 -0.379 20 0 DBADRM CC1(C)CN(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)CCO1 ZINC000548592553 381541779 /nfs/dbraw/zinc/54/17/79/381541779.db2.gz ITJNEOQNHAVCNN-VHSXEESVSA-N -1 0 304.368 -0.039 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@](C)(O)Cn1ccccc1=O)c1nnn[n-]1 ZINC000548720314 381546502 /nfs/dbraw/zinc/54/65/02/381546502.db2.gz IRQPQOWYIXGMQI-YGRLFVJLSA-N -1 0 320.353 -0.626 20 0 DBADRM CCN(C)S(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000548251647 381521280 /nfs/dbraw/zinc/52/12/80/381521280.db2.gz BFPMJXDYJYPVDR-ZJUUUORDSA-N -1 0 319.383 -0.810 20 0 DBADRM CCN(C)S(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000548251644 381521499 /nfs/dbraw/zinc/52/14/99/381521499.db2.gz BFPMJXDYJYPVDR-NXEZZACHSA-N -1 0 319.383 -0.810 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)N(CCOC)CCOC ZINC000548242544 381521831 /nfs/dbraw/zinc/52/18/31/381521831.db2.gz FVGWYFMMNXXHBR-SNVBAGLBSA-N -1 0 312.388 -0.379 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000548260508 381521955 /nfs/dbraw/zinc/52/19/55/381521955.db2.gz FRIVSGQFANFSBO-ZJUUUORDSA-N -1 0 319.383 -0.071 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C1CC1 ZINC000548262618 381523363 /nfs/dbraw/zinc/52/33/63/381523363.db2.gz OSSANSAYJUQMCW-GXSJLCMTSA-N -1 0 315.351 -0.014 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCC1(CC(=O)[O-])CCC1 ZINC000548261312 381524140 /nfs/dbraw/zinc/52/41/40/381524140.db2.gz AFMMQNFZBXGJOT-UHFFFAOYSA-N -1 0 322.383 -0.039 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@]12CCC(=O)N1CCS2)c1nnn[n-]1 ZINC000548467131 381533222 /nfs/dbraw/zinc/53/32/22/381533222.db2.gz IGMRRKXXXHDQDR-QPUJVOFHSA-N -1 0 310.383 -0.173 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000548530934 381535047 /nfs/dbraw/zinc/53/50/47/381535047.db2.gz MRXQTLOSTDZJOX-AXFHLTTASA-N -1 0 306.384 -0.222 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)C[C@H]2CCOC2)C(=O)[O-])c1 ZINC000548531369 381535853 /nfs/dbraw/zinc/53/58/53/381535853.db2.gz XPEBUPQWCQRYQR-WDEREUQCSA-N -1 0 317.367 -0.399 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cccc2cccnc21 ZINC000548526850 381535983 /nfs/dbraw/zinc/53/59/83/381535983.db2.gz KEDJCHVBZXIQKY-UHFFFAOYSA-N -1 0 323.330 -0.286 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)C[C@@H]2CCOC2)C(=O)[O-])c1 ZINC000548531363 381536091 /nfs/dbraw/zinc/53/60/91/381536091.db2.gz XPEBUPQWCQRYQR-GHMZBOCLSA-N -1 0 317.367 -0.399 20 0 DBADRM COCCS(=O)(=O)N[C@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000548535731 381536250 /nfs/dbraw/zinc/53/62/50/381536250.db2.gz YNCDOWOKYIMAOM-SNVBAGLBSA-N -1 0 305.356 -0.481 20 0 DBADRM Cn1cnn(CCC(=O)Nc2n[nH]c(-c3ccco3)n2)c1=O ZINC000550604288 381573324 /nfs/dbraw/zinc/57/33/24/381573324.db2.gz MQUVIJBYKWNJQG-UHFFFAOYSA-N -1 0 303.282 -0.011 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCCS(C)(=O)=O ZINC000548867783 381553654 /nfs/dbraw/zinc/55/36/54/381553654.db2.gz WAZXCKGRNSIYPX-BDAKNGLRSA-N -1 0 313.397 -0.454 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000627273923 381554256 /nfs/dbraw/zinc/55/42/56/381554256.db2.gz MIYKNHUYMPMHDW-VHSXEESVSA-N -1 0 313.354 -0.850 20 0 DBADRM CN(C)c1cccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000549912088 381567962 /nfs/dbraw/zinc/56/79/62/381567962.db2.gz YNWRXNXPBKXWJM-SNVBAGLBSA-N -1 0 315.351 -0.641 20 0 DBADRM Cn1cnn(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1=O ZINC000549938687 381568040 /nfs/dbraw/zinc/56/80/40/381568040.db2.gz DTKISQFVEMFUIK-UHFFFAOYSA-N -1 0 314.309 -0.209 20 0 DBADRM CCn1cnc(S(=O)(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])c1 ZINC000252609790 381614159 /nfs/dbraw/zinc/61/41/59/381614159.db2.gz UFHCNOYBYAJPDP-BDAKNGLRSA-N -1 0 303.340 -0.234 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)OC ZINC000627275653 381616280 /nfs/dbraw/zinc/61/62/80/381616280.db2.gz OGYRYXNJLBAXCV-OUAUKWLOSA-N -1 0 316.354 -0.667 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)NCCOCC(=O)[O-])cc1 ZINC000093228486 381619689 /nfs/dbraw/zinc/61/96/89/381619689.db2.gz HCORYZWGNLJHNC-UHFFFAOYSA-N -1 0 316.335 -0.574 20 0 DBADRM CCN(CC)C(=O)[C@@H]1CSCN1C(=O)CCc1nnn[n-]1 ZINC000630866347 381621973 /nfs/dbraw/zinc/62/19/73/381621973.db2.gz FTQXOZIYZKUBCF-VIFPVBQESA-N -1 0 312.399 -0.098 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)Cn1nc2ccccn2c1=O ZINC000261996545 381624117 /nfs/dbraw/zinc/62/41/17/381624117.db2.gz UOKHPWNFQVWZLI-SNVBAGLBSA-N -1 0 304.306 -0.038 20 0 DBADRM COc1ccc(-n2cc(CNC(=O)c3nc(=O)[nH][n-]3)nn2)cc1 ZINC000153060540 381627094 /nfs/dbraw/zinc/62/70/94/381627094.db2.gz MEBWSMRDJAWGFD-UHFFFAOYSA-N -1 0 315.293 -0.383 20 0 DBADRM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NCC(=O)[O-])C2=O ZINC000566063387 381635789 /nfs/dbraw/zinc/63/57/89/381635789.db2.gz RRZRHYONJHMUQW-RKDXNWHRSA-N -1 0 311.338 -0.066 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@H]1C(=O)[O-] ZINC000262911756 381630485 /nfs/dbraw/zinc/63/04/85/381630485.db2.gz FTZNRIBMXJFXSF-NXEZZACHSA-N -1 0 304.306 -0.325 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1=O ZINC000566133100 381638280 /nfs/dbraw/zinc/63/82/80/381638280.db2.gz DXPYHYQBPGQOPC-JTQLQIEISA-N -1 0 315.285 -0.553 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)C2CC2)C1=O ZINC000566551133 381663835 /nfs/dbraw/zinc/66/38/35/381663835.db2.gz AMNOLELRIFCSPS-ZJUUUORDSA-N -1 0 304.368 -0.222 20 0 DBADRM Cc1oc(S(=O)(=O)NC[C@@H]2COCCO2)cc1C(=O)[O-] ZINC000567804790 381713231 /nfs/dbraw/zinc/71/32/31/381713231.db2.gz ZDUBVNTVKSAOJX-MRVPVSSYSA-N -1 0 305.308 -0.020 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000567234647 381686754 /nfs/dbraw/zinc/68/67/54/381686754.db2.gz DCHNGNZRTBEFQH-OUAUKWLOSA-N -1 0 315.370 -0.110 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)CCc1cccs1)C(=O)[O-] ZINC000567276722 381690407 /nfs/dbraw/zinc/69/04/07/381690407.db2.gz SQJRAFAVHRTCBQ-QMMMGPOBSA-N -1 0 306.365 -0.461 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc[nH]c2=O)CCS1(=O)=O ZINC000567352168 381692296 /nfs/dbraw/zinc/69/22/96/381692296.db2.gz RIUMZKWHZINLBB-MRVPVSSYSA-N -1 0 300.292 -0.889 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCCO2)C[C@@H]1C(=O)[O-] ZINC000567386975 381695238 /nfs/dbraw/zinc/69/52/38/381695238.db2.gz VHGXCTOKVNJVRM-VWYCJHECSA-N -1 0 314.338 -0.913 20 0 DBADRM C[C@H](NC(=O)c1ccccc1)C(=O)NCCc1nc(=O)o[n-]1 ZINC000567603272 381704935 /nfs/dbraw/zinc/70/49/35/381704935.db2.gz NPBUBJCSJJHSKU-VIFPVBQESA-N -1 0 304.306 -0.160 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000567632911 381704955 /nfs/dbraw/zinc/70/49/55/381704955.db2.gz GNFWIFJMXOVVEW-JTQLQIEISA-N -1 0 303.340 -0.062 20 0 DBADRM C[C@@H](NC(=O)c1ccccc1)C(=O)NCCc1nc(=O)o[n-]1 ZINC000567603271 381705050 /nfs/dbraw/zinc/70/50/50/381705050.db2.gz NPBUBJCSJJHSKU-SECBINFHSA-N -1 0 304.306 -0.160 20 0 DBADRM O=C([O-])C(=O)N1CCN(CC(=O)NCC2CCCCC2)CC1 ZINC000567988364 381729315 /nfs/dbraw/zinc/72/93/15/381729315.db2.gz BTFVXBWITAPUQR-UHFFFAOYSA-N -1 0 311.382 -0.088 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2nnnn2-c2ccccc2)O1 ZINC000568351115 381756760 /nfs/dbraw/zinc/75/67/60/381756760.db2.gz QYAZJMFSEJGYDV-MNOVXSKESA-N -1 0 317.305 -0.089 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000568344280 381757480 /nfs/dbraw/zinc/75/74/80/381757480.db2.gz VANRNERKFPXRKB-JTQLQIEISA-N -1 0 304.372 -0.032 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)cn1 ZINC000567863379 381721037 /nfs/dbraw/zinc/72/10/37/381721037.db2.gz MKYSWUQBMBVANZ-LLVKDONJSA-N -1 0 305.290 -0.005 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)C(=O)NCCCC(=O)[O-] ZINC000567888163 381721972 /nfs/dbraw/zinc/72/19/72/381721972.db2.gz ZUKBYOIAXMZCHQ-VIFPVBQESA-N -1 0 301.343 -0.612 20 0 DBADRM COCCOC1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000568978504 381782126 /nfs/dbraw/zinc/78/21/26/381782126.db2.gz AQOOMGBRJXWDBR-UHFFFAOYSA-N -1 0 316.335 -0.184 20 0 DBADRM Cc1c(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)cnn1C ZINC000569110105 381787907 /nfs/dbraw/zinc/78/79/07/381787907.db2.gz FFPNAHURRVSRKD-KOLCDFICSA-N -1 0 317.367 -0.113 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)o1 ZINC000569130620 381789301 /nfs/dbraw/zinc/78/93/01/381789301.db2.gz UXJRNQLQHCONSJ-UHFFFAOYSA-N -1 0 300.296 -0.144 20 0 DBADRM C[C@H](O)[C@H]1CCN(c2cc(NC[C@@](C)(O)C(=O)[O-])ncn2)C1 ZINC000569225359 381791341 /nfs/dbraw/zinc/79/13/41/381791341.db2.gz JSCHTZAVTQZGMQ-PKFCDNJMSA-N -1 0 310.354 -0.069 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-] ZINC000569231935 381791735 /nfs/dbraw/zinc/79/17/35/381791735.db2.gz ATBDHXDBUHYNEA-MNOVXSKESA-N -1 0 309.384 -0.053 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000572812586 381800681 /nfs/dbraw/zinc/80/06/81/381800681.db2.gz QXPCNXDNKFTDEQ-WCBMZHEXSA-N -1 0 303.340 -0.436 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-] ZINC000572697712 381795977 /nfs/dbraw/zinc/79/59/77/381795977.db2.gz OPOYKGBFIMLGFI-VIFPVBQESA-N -1 0 310.372 -0.627 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)CC2(O)CCC2)C[C@@H]1C(=O)[O-] ZINC000568391645 381760374 /nfs/dbraw/zinc/76/03/74/381760374.db2.gz IAJZHNWJIIJZRF-MNOVXSKESA-N -1 0 312.366 -0.071 20 0 DBADRM CCOC[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC000568702803 381770521 /nfs/dbraw/zinc/77/05/21/381770521.db2.gz CRLXIPLSLGLBCI-VIFPVBQESA-N -1 0 310.372 -0.579 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](C(=O)[O-])C(C)C ZINC000568752580 381772275 /nfs/dbraw/zinc/77/22/75/381772275.db2.gz GLLRMTYTUGHOMB-MWLCHTKSSA-N -1 0 313.354 -0.804 20 0 DBADRM C[C@H]1CCCCN1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000167251484 381822105 /nfs/dbraw/zinc/82/21/05/381822105.db2.gz ZNRIQEYCMUMPJT-VIFPVBQESA-N -1 0 317.371 -0.429 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)N1CCOCC1 ZINC000299921903 381826255 /nfs/dbraw/zinc/82/62/55/381826255.db2.gz QZCRNFWBTCTVOG-AXFHLTTASA-N -1 0 304.368 -0.252 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000573493647 381828548 /nfs/dbraw/zinc/82/85/48/381828548.db2.gz FELGCOMWVHWAOB-NWDGAFQWSA-N -1 0 311.382 -0.377 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000328437770 381831008 /nfs/dbraw/zinc/83/10/08/381831008.db2.gz COIAEYRQBOKGJZ-DBIOUOCHSA-N -1 0 322.383 -0.486 20 0 DBADRM CCOc1ccncc1S(=O)(=O)NC[C@H](OC)C(=O)[O-] ZINC000573680967 381836583 /nfs/dbraw/zinc/83/65/83/381836583.db2.gz LTIVYXPEPZCHBB-VIFPVBQESA-N -1 0 304.324 -0.142 20 0 DBADRM CC(C)(C)CC[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C(=O)[O-] ZINC000573920756 381845491 /nfs/dbraw/zinc/84/54/91/381845491.db2.gz YIDWXOFBSIPLGE-MRVPVSSYSA-N -1 0 311.342 -0.227 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2CC[C@H](C)C2)C1 ZINC000572952721 381807467 /nfs/dbraw/zinc/80/74/67/381807467.db2.gz GCJHYZKQKCQWGI-JQWIXIFHSA-N -1 0 306.384 -0.004 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@H]1CCOC1)[C@H]1CCCOC1 ZINC000572993230 381809167 /nfs/dbraw/zinc/80/91/67/381809167.db2.gz UVMMLLIHWVSYLF-GARJFASQSA-N -1 0 307.368 -0.178 20 0 DBADRM COCCCN(C(=O)CCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000573090023 381812351 /nfs/dbraw/zinc/81/23/51/381812351.db2.gz YBLYEHGSTLMTSC-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCC1(C(=O)[O-])CC1 ZINC000166997005 381819958 /nfs/dbraw/zinc/81/99/58/381819958.db2.gz UFTNZXPUYDJTMZ-VIFPVBQESA-N -1 0 320.367 -0.287 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cn(C)c(C(C)C)n1)C(=O)[O-] ZINC000574734280 381876214 /nfs/dbraw/zinc/87/62/14/381876214.db2.gz RFGCEEXGAQFMJW-QMMMGPOBSA-N -1 0 305.356 -0.079 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000575181042 381887201 /nfs/dbraw/zinc/88/72/01/381887201.db2.gz MQXKCZLMLZVOJV-NEPJUHHUSA-N -1 0 310.350 -0.029 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)n1 ZINC000574154675 381854602 /nfs/dbraw/zinc/85/46/02/381854602.db2.gz LOYKMOWWKDOFEV-WCBMZHEXSA-N -1 0 303.340 -0.422 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)C[C@H]1CCCO1)C(=O)[O-] ZINC000168825262 381859001 /nfs/dbraw/zinc/85/90/01/381859001.db2.gz AUKXUGCDGAXADZ-BDAKNGLRSA-N -1 0 309.340 -0.509 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000574291156 381860185 /nfs/dbraw/zinc/86/01/85/381860185.db2.gz SMMQNRKPXCYXTN-UWVGGRQHSA-N -1 0 306.384 -0.020 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000574452887 381865788 /nfs/dbraw/zinc/86/57/88/381865788.db2.gz LIFFJTLDJQOKQR-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM CC[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000574574000 381868983 /nfs/dbraw/zinc/86/89/83/381868983.db2.gz KQCGYQJLHBQLQH-SECBINFHSA-N -1 0 322.321 -0.458 20 0 DBADRM COCCn1cc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000574589516 381872364 /nfs/dbraw/zinc/87/23/64/381872364.db2.gz ZMQWPZLZQXVMNH-JTQLQIEISA-N -1 0 319.339 -0.996 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000575923311 381904770 /nfs/dbraw/zinc/90/47/70/381904770.db2.gz CYDWVHMICLXXPT-GMTAPVOTSA-N -1 0 300.355 -0.046 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CN1CCNCC1=O ZINC000575927209 381904966 /nfs/dbraw/zinc/90/49/66/381904966.db2.gz XNYNDXZUNNKMHR-TUAOUCFPSA-N -1 0 309.366 -0.338 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CCO1 ZINC000576701128 381931187 /nfs/dbraw/zinc/93/11/87/381931187.db2.gz YWPQNQVYNCRYFK-SNVBAGLBSA-N -1 0 316.335 -0.184 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000575312512 381890623 /nfs/dbraw/zinc/89/06/23/381890623.db2.gz UZXGQKYOKGNUAT-IJLUTSLNSA-N -1 0 322.365 -0.043 20 0 DBADRM CN(CCc1cnccn1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000577510306 381965351 /nfs/dbraw/zinc/96/53/51/381965351.db2.gz UTLPPHJBPYIVKC-NSHDSACASA-N -1 0 314.367 -0.255 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@]2(C)CO)C1 ZINC000577620114 381968186 /nfs/dbraw/zinc/96/81/86/381968186.db2.gz DRXGHFYYCJNWDC-JRPNMDOOSA-N -1 0 312.366 -0.071 20 0 DBADRM CCC[C@H](O)[C@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000577697730 381969636 /nfs/dbraw/zinc/96/96/36/381969636.db2.gz GTFHLUUJODMGNS-IUCAKERBSA-N -1 0 308.356 -0.959 20 0 DBADRM CCOC[C@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000577670007 381970800 /nfs/dbraw/zinc/97/08/00/381970800.db2.gz VGTMPSDISVLYNY-GUBZILKMSA-N -1 0 310.372 -0.580 20 0 DBADRM COc1ccccc1CCNC(=O)CNC(=O)c1n[nH]c(=O)[n-]1 ZINC000577700094 381970851 /nfs/dbraw/zinc/97/08/51/381970851.db2.gz LZTWASSYKJMAEA-UHFFFAOYSA-N -1 0 319.321 -0.392 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000576940349 381941668 /nfs/dbraw/zinc/94/16/68/381941668.db2.gz MANTXHNNSRADNA-VIFPVBQESA-N -1 0 316.335 -0.046 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])C[C@@H](C)O1 ZINC000578193426 382001862 /nfs/dbraw/zinc/00/18/62/382001862.db2.gz WPNHHDRSOVJJDT-ZJUUUORDSA-N -1 0 302.327 -0.770 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2ccc3nncn3c2)cc1C(N)=O ZINC000180115020 382002222 /nfs/dbraw/zinc/00/22/22/382002222.db2.gz CJWXXWLTVWXVAG-UHFFFAOYSA-N -1 0 320.334 -0.033 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)C(=O)[O-] ZINC000578236564 382005814 /nfs/dbraw/zinc/00/58/14/382005814.db2.gz AGSZORCJXBCTKH-IUCAKERBSA-N -1 0 302.327 -0.473 20 0 DBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]1CCCO1)C2 ZINC000577851139 381974117 /nfs/dbraw/zinc/97/41/17/381974117.db2.gz QFBCSEATQZCRCQ-ZIBATOQPSA-N -1 0 310.350 -0.005 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)C1 ZINC000577857005 381975894 /nfs/dbraw/zinc/97/58/94/381975894.db2.gz XFRPJBNYGLABJH-KSSYENDESA-N -1 0 324.377 -0.215 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC1(CC(=O)[O-])CC1 ZINC000577957585 381982578 /nfs/dbraw/zinc/98/25/78/381982578.db2.gz ZSOPYQYZEMPGJY-UHFFFAOYSA-N -1 0 322.383 -0.546 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc3c(c2)C(=O)NC3=O)c1[O-] ZINC000349258110 381984263 /nfs/dbraw/zinc/98/42/63/381984263.db2.gz WNSFMDCIAAKFNG-SECBINFHSA-N -1 0 317.257 -0.442 20 0 DBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)no1 ZINC000349577610 381989538 /nfs/dbraw/zinc/98/95/38/381989538.db2.gz UWTNTTDSDNJODV-UHFFFAOYSA-N -1 0 312.373 -0.599 20 0 DBADRM COc1ccc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1 ZINC000578130234 381994847 /nfs/dbraw/zinc/99/48/47/381994847.db2.gz YUGZAZJDNLKWAQ-SECBINFHSA-N -1 0 316.335 -0.046 20 0 DBADRM COc1cncc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000578984609 382044681 /nfs/dbraw/zinc/04/46/81/382044681.db2.gz ITZDKRAEWMHJSJ-JTQLQIEISA-N -1 0 316.335 -0.046 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)nn1C ZINC000579473895 382069169 /nfs/dbraw/zinc/06/91/69/382069169.db2.gz RKMKXVOQIJRUGR-BDAKNGLRSA-N -1 0 324.337 -0.064 20 0 DBADRM O=C([O-])C(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000579183350 382053803 /nfs/dbraw/zinc/05/38/03/382053803.db2.gz DXRLCCSMJQQTGK-UHFFFAOYSA-N -1 0 307.354 -0.267 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)nn1C ZINC000579473898 382069749 /nfs/dbraw/zinc/06/97/49/382069749.db2.gz RKMKXVOQIJRUGR-RKDXNWHRSA-N -1 0 324.337 -0.064 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@@H]1CCCS1(=O)=O ZINC000578521576 382019734 /nfs/dbraw/zinc/01/97/34/382019734.db2.gz YBKOBRYOEBEQRZ-JTQLQIEISA-N -1 0 323.334 -0.116 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(CO)CC2)C[C@@H]1C(=O)[O-] ZINC000578532116 382021835 /nfs/dbraw/zinc/02/18/35/382021835.db2.gz BAALQINNCUSPEA-PWSUYJOCSA-N -1 0 312.366 -0.214 20 0 DBADRM CO[C@@H](CS(=O)(=O)NCc1cn(CC(=O)[O-])nn1)C1CC1 ZINC000578624026 382025279 /nfs/dbraw/zinc/02/52/79/382025279.db2.gz VLZCTOZJZIXIQQ-JTQLQIEISA-N -1 0 318.355 -0.793 20 0 DBADRM O=C([O-])CCCNC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000578623836 382025949 /nfs/dbraw/zinc/02/59/49/382025949.db2.gz PBUZYEODACBVFP-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CC1 ZINC000578754357 382031515 /nfs/dbraw/zinc/03/15/15/382031515.db2.gz ZNGMKXBEUQSXKT-VIFPVBQESA-N -1 0 303.340 -0.496 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCN2CCCC2=O)C1 ZINC000578756509 382034806 /nfs/dbraw/zinc/03/48/06/382034806.db2.gz WQRHMJKZDHSNGU-AWEZNQCLSA-N -1 0 311.338 -0.952 20 0 DBADRM CCN(C(=O)C(=O)NCCCC(=O)[O-])[C@H](C)CS(C)(=O)=O ZINC000578892303 382037725 /nfs/dbraw/zinc/03/77/25/382037725.db2.gz PWUPIDARUFPEFY-SECBINFHSA-N -1 0 322.383 -0.751 20 0 DBADRM CC(C)[C@H](NC(=O)CSCC(=O)[O-])C(=O)N1CCOCC1 ZINC000579951628 382102454 /nfs/dbraw/zinc/10/24/54/382102454.db2.gz VZSDZLVKGKSZOG-LBPRGKRZSA-N -1 0 318.395 -0.196 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2nccn2C)C[C@H]1C(=O)[O-] ZINC000579953489 382102608 /nfs/dbraw/zinc/10/26/08/382102608.db2.gz JIZRTLKGCRDUJQ-NXEZZACHSA-N -1 0 308.338 -0.395 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-] ZINC000579959041 382103558 /nfs/dbraw/zinc/10/35/58/382103558.db2.gz DOCAGHGHDIUYPB-DTWKUNHWSA-N -1 0 311.356 -0.405 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000580713916 382110467 /nfs/dbraw/zinc/11/04/67/382110467.db2.gz OHTRODURMZWGEV-MRVPVSSYSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000580777370 382112977 /nfs/dbraw/zinc/11/29/77/382112977.db2.gz RJRDLDLXGOBFLE-BQBZGAKWSA-N -1 0 307.310 -0.328 20 0 DBADRM C[C@H](CC(=O)[O-])NS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000580831612 382115404 /nfs/dbraw/zinc/11/54/04/382115404.db2.gz DWEMQMBBWRVKIL-MRVPVSSYSA-N -1 0 316.401 -0.950 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000579494959 382071576 /nfs/dbraw/zinc/07/15/76/382071576.db2.gz HRUNJUGMROLXPQ-NXEZZACHSA-N -1 0 309.384 -0.101 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)Cn2ccnc2)s1 ZINC000579540579 382074259 /nfs/dbraw/zinc/07/42/59/382074259.db2.gz NMJUSEJKVHRDGD-UHFFFAOYSA-N -1 0 302.341 -0.255 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCS1(=O)=O ZINC000579581362 382079101 /nfs/dbraw/zinc/07/91/01/382079101.db2.gz VSRXLLCAZKNGKJ-VIFPVBQESA-N -1 0 313.335 -0.778 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC(O)(CO)C1 ZINC000615416640 382084023 /nfs/dbraw/zinc/08/40/23/382084023.db2.gz BLOVBZXPHUXKOW-UHFFFAOYSA-N -1 0 300.336 -0.763 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCCCC(=O)[O-] ZINC000579709032 382087244 /nfs/dbraw/zinc/08/72/44/382087244.db2.gz MJUJINZVXCIDGL-DTWKUNHWSA-N -1 0 317.342 -0.393 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-] ZINC000579804811 382092159 /nfs/dbraw/zinc/09/21/59/382092159.db2.gz QVEWHYWRPRNOID-SECBINFHSA-N -1 0 323.367 -0.167 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCS(=O)(=O)N(C)C)C[C@@H]1C(=O)[O-] ZINC000579948590 382101812 /nfs/dbraw/zinc/10/18/12/382101812.db2.gz NUAJYGWDFOPCSV-ZJUUUORDSA-N -1 0 321.399 -0.370 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000581129489 382132364 /nfs/dbraw/zinc/13/23/64/382132364.db2.gz WCJHBIZAMISGFP-MXWKQRLJSA-N -1 0 322.383 -0.436 20 0 DBADRM C[C@H]1C[C@H]1CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000581422611 382146683 /nfs/dbraw/zinc/14/66/83/382146683.db2.gz ZZQQGOZICPBMMX-IUCAKERBSA-N -1 0 304.368 -0.026 20 0 DBADRM C[C@H]1C[C@@H]1CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000581422610 382147628 /nfs/dbraw/zinc/14/76/28/382147628.db2.gz ZZQQGOZICPBMMX-DTWKUNHWSA-N -1 0 304.368 -0.026 20 0 DBADRM CN(C(=O)NCCCC(=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000383247958 382158347 /nfs/dbraw/zinc/15/83/47/382158347.db2.gz AGDNRHSYEULMGH-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CC(C)(CCS(=O)(=O)NCCCC(=O)[O-])S(C)(=O)=O ZINC000581605499 382161402 /nfs/dbraw/zinc/16/14/02/382161402.db2.gz HYWLSAXYRCTHLI-UHFFFAOYSA-N -1 0 315.413 -0.016 20 0 DBADRM COCCc1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1 ZINC000581619092 382162361 /nfs/dbraw/zinc/16/23/61/382162361.db2.gz XWKVJLXFNVOIOQ-LLVKDONJSA-N -1 0 303.336 -0.401 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC(=O)N1 ZINC000387109306 382201465 /nfs/dbraw/zinc/20/14/65/382201465.db2.gz GTEWSXDACDWRCK-ZETCQYMHSA-N -1 0 301.324 -0.768 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCCOC2)CCO1 ZINC000627280283 382215468 /nfs/dbraw/zinc/21/54/68/382215468.db2.gz DGDQJHSBCBSJJL-QWRGUYRKSA-N -1 0 314.338 -0.769 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000627279048 382215513 /nfs/dbraw/zinc/21/55/13/382215513.db2.gz FTVKOWZPGIRLNU-KXUCPTDWSA-N -1 0 313.354 -0.818 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CC[C@H]1C(=O)[O-] ZINC000627279598 382215676 /nfs/dbraw/zinc/21/56/76/382215676.db2.gz PYRGJJZFCHUFDG-OOCWMUITSA-N -1 0 310.350 -0.008 20 0 DBADRM CC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000627279939 382215985 /nfs/dbraw/zinc/21/59/85/382215985.db2.gz WRRCMAMVQUIVHA-GXSJLCMTSA-N -1 0 313.354 -0.660 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCC1CC=CC1)C2 ZINC000627281899 382216265 /nfs/dbraw/zinc/21/62/65/382216265.db2.gz OSWHHJPJFHYBHK-IAQYHMDHSA-N -1 0 308.334 -0.372 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC(=O)N1 ZINC000387392230 382217586 /nfs/dbraw/zinc/21/75/86/382217586.db2.gz ZVAIBGLPQOLWCP-LURJTMIESA-N -1 0 304.349 -0.045 20 0 DBADRM CN1CCC[C@H](NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1=O ZINC000627282429 382223908 /nfs/dbraw/zinc/22/39/08/382223908.db2.gz BIPHHWPBOSXORN-JTQLQIEISA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccncc1 ZINC000627282416 382226743 /nfs/dbraw/zinc/22/67/43/382226743.db2.gz AUIGNBBZXASKPX-ZYHUDNBSSA-N -1 0 321.333 -0.387 20 0 DBADRM CS(=O)(=O)CCCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC000581941423 382190817 /nfs/dbraw/zinc/19/08/17/382190817.db2.gz HHJNBLGUDLZYLC-UHFFFAOYSA-N -1 0 322.364 -0.507 20 0 DBADRM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000081902658 382292081 /nfs/dbraw/zinc/29/20/81/382292081.db2.gz FYXJOJWSAPHYHO-ZCFIWIBFSA-N -1 0 311.337 -0.311 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC(=O)N1 ZINC000615853648 382280762 /nfs/dbraw/zinc/28/07/62/382280762.db2.gz DSCBRFUZZFQZFV-SSDOTTSWSA-N -1 0 313.335 -1.000 20 0 DBADRM CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@H](C)O ZINC000615861316 382282162 /nfs/dbraw/zinc/28/21/62/382282162.db2.gz YFDVETICKJTGRR-OIBJUYFYSA-N -1 0 302.352 -0.071 20 0 DBADRM CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@H](C)O ZINC000615861318 382282805 /nfs/dbraw/zinc/28/28/05/382282805.db2.gz YFDVETICKJTGRR-XVKPBYJWSA-N -1 0 302.352 -0.071 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CNC(=O)C2CC2)s1 ZINC000615885258 382290029 /nfs/dbraw/zinc/29/00/29/382290029.db2.gz SJDLZLZHDDDUFT-UHFFFAOYSA-N -1 0 319.368 -0.626 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ccc[nH]c2=O)C1 ZINC000627285307 382245966 /nfs/dbraw/zinc/24/59/66/382245966.db2.gz YRHPQUHKWXZJBQ-KOLCDFICSA-N -1 0 321.333 -0.027 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000627283476 382246083 /nfs/dbraw/zinc/24/60/83/382246083.db2.gz DEADLUIXXLHEEZ-NWDGAFQWSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC23CC3)CCO1 ZINC000627284764 382246465 /nfs/dbraw/zinc/24/64/65/382246465.db2.gz IXRATCOCCQSSOP-QWRGUYRKSA-N -1 0 310.350 -0.005 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCCn2cncn2)C1 ZINC000627286319 382253480 /nfs/dbraw/zinc/25/34/80/382253480.db2.gz JSPWWIIIJNAGTK-GHMZBOCLSA-N -1 0 323.353 -0.646 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000627286777 382259439 /nfs/dbraw/zinc/25/94/39/382259439.db2.gz YLVLTIQKOAEUOU-MWLCHTKSSA-N -1 0 323.349 -0.811 20 0 DBADRM CO[C@@H]1CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C[C@H]1O ZINC000615960273 382322121 /nfs/dbraw/zinc/32/21/21/382322121.db2.gz BAFOANSZCYUWPJ-GHMZBOCLSA-N -1 0 305.290 -0.138 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCN(C)C(=O)C2)cc1C(=O)[O-] ZINC000084199541 382326780 /nfs/dbraw/zinc/32/67/80/382326780.db2.gz GBESUMQNTHAEJC-UHFFFAOYSA-N -1 0 301.324 -0.814 20 0 DBADRM CN1CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)CC1=O ZINC000084199489 382327115 /nfs/dbraw/zinc/32/71/15/382327115.db2.gz XWXSOKSUGDSAGB-UHFFFAOYSA-N -1 0 304.349 -0.091 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C)C(=O)C1 ZINC000084199452 382327631 /nfs/dbraw/zinc/32/76/31/382327631.db2.gz TZXJPSUJZVKVAB-UHFFFAOYSA-N -1 0 302.308 -0.251 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)NC(C)(C)CC(=O)[O-])CC1 ZINC000084147198 382327766 /nfs/dbraw/zinc/32/77/66/382327766.db2.gz MBZYPNCBMJJUCN-UHFFFAOYSA-N -1 0 322.383 -0.041 20 0 DBADRM CCOC(=O)c1nc(NC(=O)[C@@H](C)NS(C)(=O)=O)c[nH]1 ZINC000617875936 382345918 /nfs/dbraw/zinc/34/59/18/382345918.db2.gz AOPFLLZKJGHNCR-ZCFIWIBFSA-N -1 0 304.328 -0.537 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1S(=O)(=O)N1CCOCC1 ZINC000091129826 382340281 /nfs/dbraw/zinc/34/02/81/382340281.db2.gz VMMFWBSDRQLPIB-SECBINFHSA-N -1 0 310.397 -0.545 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H]2O)c1 ZINC000616199024 382343053 /nfs/dbraw/zinc/34/30/53/382343053.db2.gz UUHCWUXJNCVUJP-MWLCHTKSSA-N -1 0 300.336 -0.317 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400174504 382390423 /nfs/dbraw/zinc/39/04/23/382390423.db2.gz CSAJRXTXGSFGHJ-SECBINFHSA-N -1 0 307.372 -0.475 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N(CCN1CCOCC1)CC1CC1 ZINC000619887967 382432566 /nfs/dbraw/zinc/43/25/66/382432566.db2.gz SFFGAMSRSZUSMY-UHFFFAOYSA-N -1 0 323.353 -0.533 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000619980982 382435104 /nfs/dbraw/zinc/43/51/04/382435104.db2.gz DYKBCSOSBWWHRW-VIFPVBQESA-N -1 0 323.353 -0.686 20 0 DBADRM C[C@@H](O)C1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000620075511 382439023 /nfs/dbraw/zinc/43/90/23/382439023.db2.gz WRKVXNGYGVRQHQ-SSDOTTSWSA-N -1 0 300.336 -0.317 20 0 DBADRM NC(=O)c1ccc(CN2CCOC[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000387993196 382402930 /nfs/dbraw/zinc/40/29/30/382402930.db2.gz WKWVPSKJPGPEPU-LLVKDONJSA-N -1 0 309.278 -0.021 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCN2CCCS2(=O)=O)nc1 ZINC000405797892 382409501 /nfs/dbraw/zinc/40/95/01/382409501.db2.gz AABKARYIYFOLPP-UHFFFAOYSA-N -1 0 313.335 -0.455 20 0 DBADRM CO[C@@]1(C)C[C@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000620547882 382450341 /nfs/dbraw/zinc/45/03/41/382450341.db2.gz GZNGZJNUYAXVSA-PWSUYJOCSA-N -1 0 300.336 -0.053 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC000062132664 382453560 /nfs/dbraw/zinc/45/35/60/382453560.db2.gz IGXSYCUPQGNREW-JTQLQIEISA-N -1 0 320.367 -0.477 20 0 DBADRM NC(=O)CC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCCCC1 ZINC000620705033 382454921 /nfs/dbraw/zinc/45/49/21/382454921.db2.gz SECGUIXKDLGTPY-UHFFFAOYSA-N -1 0 309.326 -0.162 20 0 DBADRM O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1nnn[n-]1 ZINC000074803869 382457422 /nfs/dbraw/zinc/45/74/22/382457422.db2.gz KYUZREYSHIOMAH-UHFFFAOYSA-N -1 0 314.305 -0.108 20 0 DBADRM O=C([O-])c1cccc2c1CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC000621579953 382490484 /nfs/dbraw/zinc/49/04/84/382490484.db2.gz GXLQFFVENJZRBS-LBPRGKRZSA-N -1 0 324.358 -0.039 20 0 DBADRM O=C([O-])CN(C(=O)CN1CCCS1(=O)=O)C1CCCC1 ZINC000621575671 382490803 /nfs/dbraw/zinc/49/08/03/382490803.db2.gz JMKAHJFKGWSRGR-UHFFFAOYSA-N -1 0 304.368 -0.122 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC000621597073 382491091 /nfs/dbraw/zinc/49/10/91/382491091.db2.gz RLVDJCRJWKIZFD-UHFFFAOYSA-N -1 0 322.383 -0.735 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000621577728 382492014 /nfs/dbraw/zinc/49/20/14/382492014.db2.gz NGEJUXFQZCACJC-UHFFFAOYSA-N -1 0 316.335 -0.020 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)NCCCc2n[nH]c(=O)[n-]2)n1 ZINC000621894645 382522484 /nfs/dbraw/zinc/52/24/84/382522484.db2.gz VTLAVBJXMNUJJA-UHFFFAOYSA-N -1 0 308.346 -0.457 20 0 DBADRM O=C([O-])C1CN(C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000621830115 382511248 /nfs/dbraw/zinc/51/12/48/382511248.db2.gz ZHBFZMWZVWOWBV-UHFFFAOYSA-N -1 0 305.356 -0.862 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C[C@H]1CO ZINC000621835464 382512142 /nfs/dbraw/zinc/51/21/42/382512142.db2.gz AUVCRPFMPHZYDZ-QWRGUYRKSA-N -1 0 312.366 -0.166 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000621836074 382512489 /nfs/dbraw/zinc/51/24/89/382512489.db2.gz WPLKLKMWWMRBPE-GHMZBOCLSA-N -1 0 313.354 -0.804 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CC(C(=O)[O-])C1 ZINC000621834488 382512502 /nfs/dbraw/zinc/51/25/02/382512502.db2.gz KNGOWSWVPWIGHL-SCZZXKLOSA-N -1 0 319.383 -0.570 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CC(C(=O)[O-])C1 ZINC000621834521 382512606 /nfs/dbraw/zinc/51/26/06/382512606.db2.gz LNVCYCFKJLZEIV-SNVBAGLBSA-N -1 0 319.383 -0.474 20 0 DBADRM COCCO[C@H]1COCC[C@H]1NC(=O)N1CC(C(=O)[O-])C1 ZINC000621833366 382512735 /nfs/dbraw/zinc/51/27/35/382512735.db2.gz JULGIVSPGKARCQ-MNOVXSKESA-N -1 0 302.327 -0.467 20 0 DBADRM O=C([O-])C1CN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000621831813 382512797 /nfs/dbraw/zinc/51/27/97/382512797.db2.gz YJFIECAJKYVYEW-LLVKDONJSA-N -1 0 311.338 -0.508 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[C@H](CO)C2)C[C@H]1C(=O)[O-] ZINC000622046135 382540435 /nfs/dbraw/zinc/54/04/35/382540435.db2.gz KGLKENBVHFRJRF-WISYIIOYSA-N -1 0 312.366 -0.358 20 0 DBADRM O=C(CN1CCCNC1=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000622610129 382571709 /nfs/dbraw/zinc/57/17/09/382571709.db2.gz PTSIZGHGGCYSIA-LBPRGKRZSA-N -1 0 315.337 -0.179 20 0 DBADRM O=C(CN1CCCNC1=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000622610128 382572070 /nfs/dbraw/zinc/57/20/70/382572070.db2.gz PTSIZGHGGCYSIA-GFCCVEGCSA-N -1 0 315.337 -0.179 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N(CC)CC(=O)[O-] ZINC000275357684 382578958 /nfs/dbraw/zinc/57/89/58/382578958.db2.gz UNACMDLQTRFFSM-UHFFFAOYSA-N -1 0 305.312 -0.318 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000631221413 382646614 /nfs/dbraw/zinc/64/66/14/382646614.db2.gz GIAIUMJSCGPJSE-GFCCVEGCSA-N -1 0 308.386 -0.154 20 0 DBADRM Cn1cccc1C(=O)N1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000631762716 382650886 /nfs/dbraw/zinc/65/08/86/382650886.db2.gz QYXRCSLUZBTPOU-UHFFFAOYSA-N -1 0 323.378 -0.105 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000631834713 382652219 /nfs/dbraw/zinc/65/22/19/382652219.db2.gz DKMBTFPQOIWABH-NWDGAFQWSA-N -1 0 308.386 -0.108 20 0 DBADRM O=C1[C@@H](NS(=O)(=O)c2ncc[n-]2)CCN1CC(F)(F)F ZINC000631947780 382656442 /nfs/dbraw/zinc/65/64/42/382656442.db2.gz MIKLKYDOVRDTBU-LURJTMIESA-N -1 0 312.273 -0.149 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCC[C@H]1CN1CCOCC1 ZINC000632039688 382659985 /nfs/dbraw/zinc/65/99/85/382659985.db2.gz LYCRPCIJYUNIAZ-NSHDSACASA-N -1 0 300.384 -0.105 20 0 DBADRM O=C1NC[C@@H]2CN(S(=O)(=O)c3cc([O-])cc(F)c3)CCN12 ZINC000632078198 382661240 /nfs/dbraw/zinc/66/12/40/382661240.db2.gz LBKZVQQAOPUSLH-SECBINFHSA-N -1 0 315.326 -0.071 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CC(=O)N(Cc2ccccc2)C1 ZINC000632204820 382664271 /nfs/dbraw/zinc/66/42/71/382664271.db2.gz GSCSSDQAFLMACR-UHFFFAOYSA-N -1 0 300.322 -0.039 20 0 DBADRM O=S(=O)(c1cc([O-])cc(F)c1)N1CCC(CO)(CO)C1 ZINC000632565644 382673770 /nfs/dbraw/zinc/67/37/70/382673770.db2.gz OMNNXVWRYBYWTH-UHFFFAOYSA-N -1 0 305.327 -0.103 20 0 DBADRM O=S(=O)(c1cc([O-])cc(F)c1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000632591377 382674592 /nfs/dbraw/zinc/67/45/92/382674592.db2.gz VDHALCXIYMNKHU-IUCAKERBSA-N -1 0 305.327 -0.247 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)N[C@@H]2COCC[C@H]2O)c1 ZINC000632707729 382676751 /nfs/dbraw/zinc/67/67/51/382676751.db2.gz FREOOOZZZUXLPC-GHMZBOCLSA-N -1 0 303.384 -0.033 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCN(CC3CC3)CC2)C1 ZINC000633063225 382680576 /nfs/dbraw/zinc/68/05/76/382680576.db2.gz INAHAEWCJCEOKL-ZDUSSCGKSA-N -1 0 323.393 -0.136 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CCO1 ZINC000633065687 382680584 /nfs/dbraw/zinc/68/05/84/382680584.db2.gz OZTKSYDNAUBXGK-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM COCCCN(C)C(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000633063641 382680593 /nfs/dbraw/zinc/68/05/93/382680593.db2.gz BSNDQTUXEVCHDC-CQSZACIVSA-N -1 0 316.354 -0.569 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](C)C2)C1 ZINC000633062461 382680613 /nfs/dbraw/zinc/68/06/13/382680613.db2.gz AMZGIBWOPNPNKY-IINYFYTJSA-N -1 0 314.338 -0.817 20 0 DBADRM COCCN(C)C(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000633062872 382680851 /nfs/dbraw/zinc/68/08/51/382680851.db2.gz QVKNXXRHOPWWIL-CYBMUJFWSA-N -1 0 302.327 -0.959 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]3COC[C@@H]32)C1 ZINC000633071019 382680894 /nfs/dbraw/zinc/68/08/94/382680894.db2.gz XFFIWDSHEIZQME-TUAOUCFPSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC(CCF)CC2)CCO1 ZINC000633070194 382681010 /nfs/dbraw/zinc/68/10/10/382681010.db2.gz IWBFVAYGLJBHGO-NSHDSACASA-N -1 0 316.329 -0.103 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)N[C@@H]3COC[C@@H]3O)cc2=O)cc1 ZINC000633855116 382689459 /nfs/dbraw/zinc/68/94/59/382689459.db2.gz SWPNDMILCMKWOX-OLZOCXBDSA-N -1 0 303.318 -0.036 20 0 DBADRM CCCC[C@H](NS(=O)(=O)N(C)CCC(=O)OC)C(=O)[O-] ZINC000262483428 220435559 /nfs/dbraw/zinc/43/55/59/220435559.db2.gz SABVLYSSUQDGBI-VIFPVBQESA-N -1 0 310.372 -0.041 20 0 DBADRM CCC(CC)(NC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-] ZINC000342545072 220454363 /nfs/dbraw/zinc/45/43/63/220454363.db2.gz LGHGRXMIIXCICR-UHFFFAOYSA-N -1 0 311.342 -0.261 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)C[C@H]2CCCCO2)CCOC1 ZINC000447159481 533150433 /nfs/dbraw/zinc/15/04/33/533150433.db2.gz LEZNOMDWWYKOAF-ZYHUDNBSSA-N -1 0 307.368 -0.193 20 0 DBADRM COC(=O)[C@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H](C)O1 ZINC000123410509 291903932 /nfs/dbraw/zinc/90/39/32/291903932.db2.gz AJCBADXLPJVNDO-MWLCHTKSSA-N -1 0 306.322 -0.215 20 0 DBADRM CCN1CCN(CC(=O)NCCCCCC(=O)[O-])C(=O)C1=O ZINC000355442601 220614109 /nfs/dbraw/zinc/61/41/09/220614109.db2.gz WLDRXBPGFRWRAS-UHFFFAOYSA-N -1 0 313.354 -0.562 20 0 DBADRM NC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000362500042 220811051 /nfs/dbraw/zinc/81/10/51/220811051.db2.gz QZKCEPLSAFCHDY-ZJUUUORDSA-N -1 0 305.290 -0.439 20 0 DBADRM COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000274807013 291939225 /nfs/dbraw/zinc/93/92/25/291939225.db2.gz POWIJVYLEODZRJ-PSASIEDQSA-N -1 0 309.322 -0.100 20 0 DBADRM O=S(=O)(c1nc2ccccc2[n-]1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000271093173 304783379 /nfs/dbraw/zinc/78/33/79/304783379.db2.gz UXGNXCUDKRFEIY-VHSXEESVSA-N -1 0 316.360 -0.506 20 0 DBADRM COc1cccc(CNC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000420545047 533488177 /nfs/dbraw/zinc/48/81/77/533488177.db2.gz RQEICFZMHVHNTP-MWLCHTKSSA-N -1 0 321.333 -0.115 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC2CC2)o1 ZINC000272202287 130006794 /nfs/dbraw/zinc/00/67/94/130006794.db2.gz YGUJAVIOHZNRIZ-UHFFFAOYSA-N -1 0 316.335 -0.129 20 0 DBADRM COC(=O)[C@]1(NC(=O)c2cnc([O-])n(C)c2=O)CCSC1 ZINC000270696845 291983423 /nfs/dbraw/zinc/98/34/23/291983423.db2.gz VMXIZSBHVIKJME-LBPRGKRZSA-N -1 0 313.335 -0.736 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)NC(C)(CO)CO)cc2=O)cc1 ZINC000273144497 130091619 /nfs/dbraw/zinc/09/16/19/130091619.db2.gz GBCZXLSJSMCMCS-UHFFFAOYSA-N -1 0 305.334 -0.053 20 0 DBADRM Cc1cc(C(=O)N[C@@]2(CO)CCOC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000273616609 130145049 /nfs/dbraw/zinc/14/50/49/130145049.db2.gz XLLKLRWVHADHMT-CQSZACIVSA-N -1 0 320.305 -0.374 20 0 DBADRM NC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CCO1 ZINC000273711549 130156265 /nfs/dbraw/zinc/15/62/65/130156265.db2.gz PDBAZLQUEIZGFK-JTQLQIEISA-N -1 0 314.319 -0.740 20 0 DBADRM NC(=O)[C@H]1CN(S(=O)(=O)c2csc(C(=O)[O-])c2)CCO1 ZINC000273785970 130166467 /nfs/dbraw/zinc/16/64/67/130166467.db2.gz ZQEOSOLAZNRTTN-SSDOTTSWSA-N -1 0 320.348 -0.679 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000273946153 130189147 /nfs/dbraw/zinc/18/91/47/130189147.db2.gz MFARDBKBULKTMH-SECBINFHSA-N -1 0 314.319 -0.219 20 0 DBADRM COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cnc([O-])n(C)c1=O ZINC000274279170 130223124 /nfs/dbraw/zinc/22/31/24/130223124.db2.gz JGWSYYQNZVHKDU-ZCFIWIBFSA-N -1 0 323.227 -0.290 20 0 DBADRM CCOc1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cn1 ZINC000274419637 130234695 /nfs/dbraw/zinc/23/46/95/130234695.db2.gz DICKULKSUOSFPZ-UHFFFAOYSA-N -1 0 314.323 -0.432 20 0 DBADRM CCOC(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000274530898 130243586 /nfs/dbraw/zinc/24/35/86/130243586.db2.gz BNENLCXTBIFGTM-QMMMGPOBSA-N -1 0 310.310 -0.554 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c(C)o1 ZINC000274870934 130268425 /nfs/dbraw/zinc/26/84/25/130268425.db2.gz AOYABHCJCNCJCM-ZETCQYMHSA-N -1 0 321.307 -0.511 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1C ZINC000274876407 130268931 /nfs/dbraw/zinc/26/89/31/130268931.db2.gz BVHUFIOEFPCOAH-VIFPVBQESA-N -1 0 317.319 -0.495 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC000274878506 130270263 /nfs/dbraw/zinc/27/02/63/130270263.db2.gz HPERXEMMCSUFOR-MRVPVSSYSA-N -1 0 314.367 -0.008 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000274934303 130275174 /nfs/dbraw/zinc/27/51/74/130275174.db2.gz CCBYOIYKSOOUJN-DTWKUNHWSA-N -1 0 315.399 -0.896 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000274934309 130275232 /nfs/dbraw/zinc/27/52/32/130275232.db2.gz CCBYOIYKSOOUJN-RKDXNWHRSA-N -1 0 315.399 -0.896 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1C ZINC000274932759 130275337 /nfs/dbraw/zinc/27/53/37/130275337.db2.gz PJARKEZFWISKDY-QMMMGPOBSA-N -1 0 318.355 -0.873 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cccc2c1OCCO2)C(=O)[O-] ZINC000274935895 130275399 /nfs/dbraw/zinc/27/53/99/130275399.db2.gz PUBIESWWUAHHBC-XCBNKYQSSA-N -1 0 317.319 -0.430 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cc(Cl)cnc1N)C(=O)[O-] ZINC000274967593 130277050 /nfs/dbraw/zinc/27/70/50/130277050.db2.gz VXGHFHQYWHTGPZ-FBCQKBJTSA-N -1 0 309.731 -0.571 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])s1 ZINC000274997996 130281395 /nfs/dbraw/zinc/28/13/95/130281395.db2.gz AHQSSYVDDHMLIX-ZCFIWIBFSA-N -1 0 323.348 -0.351 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@@H](O)Cc1ccccc1 ZINC000275000932 130283311 /nfs/dbraw/zinc/28/33/11/130283311.db2.gz UMRXMIKETIKZFE-JTQLQIEISA-N -1 0 308.363 -0.090 20 0 DBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000275053420 130288418 /nfs/dbraw/zinc/28/84/18/130288418.db2.gz IPBAVBLMLKZKIA-QMMMGPOBSA-N -1 0 303.292 -0.471 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-] ZINC000275067148 130289076 /nfs/dbraw/zinc/28/90/76/130289076.db2.gz KNGUTNYNVBQZJB-QMMMGPOBSA-N -1 0 320.323 -0.431 20 0 DBADRM O=C([O-])C1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000275072682 130290252 /nfs/dbraw/zinc/29/02/52/130290252.db2.gz BRPDJTGCRFNQQD-UHFFFAOYSA-N -1 0 309.307 -0.633 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1 ZINC000275090125 130291324 /nfs/dbraw/zinc/29/13/24/130291324.db2.gz OVFZPKXMPVPASU-ZETCQYMHSA-N -1 0 307.280 -0.820 20 0 DBADRM CCN(C[C@H](O)C(F)(F)F)C(=O)c1cnc([O-])n(C)c1=O ZINC000275118719 130293525 /nfs/dbraw/zinc/29/35/25/130293525.db2.gz GLOIFKROXIOXCJ-ZETCQYMHSA-N -1 0 309.244 -0.129 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1C ZINC000275166036 130295389 /nfs/dbraw/zinc/29/53/89/130295389.db2.gz BEQDGVMFUDXQOV-JTQLQIEISA-N -1 0 317.319 -0.495 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275261081 130301818 /nfs/dbraw/zinc/30/18/18/130301818.db2.gz MDVSZUMXFLTYOV-SECBINFHSA-N -1 0 313.339 -0.574 20 0 DBADRM Cn1cc(C[C@@H](NS(=O)(=O)c2ccnn2C)C(=O)[O-])cn1 ZINC000275361218 130308274 /nfs/dbraw/zinc/30/82/74/130308274.db2.gz XLJUYZWLQLRMOK-SECBINFHSA-N -1 0 313.339 -0.872 20 0 DBADRM COCCCS(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275369143 130308348 /nfs/dbraw/zinc/30/83/48/130308348.db2.gz YILLHMATMQARRT-JTQLQIEISA-N -1 0 305.356 -0.628 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cncc(Cl)c1 ZINC000275399104 130314846 /nfs/dbraw/zinc/31/48/46/130314846.db2.gz YTWDLEGMMNUDEK-APPZFPTMSA-N -1 0 306.727 -0.057 20 0 DBADRM Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)[N-]OCC(N)=O ZINC000276117983 130441494 /nfs/dbraw/zinc/44/14/94/130441494.db2.gz LHQHKZWUIOLALK-UHFFFAOYSA-N -1 0 308.338 -0.159 20 0 DBADRM O=C(NC1COCCOC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000646806919 391944783 /nfs/dbraw/zinc/94/47/83/391944783.db2.gz BELKQOPYVWNDRR-UHFFFAOYSA-N -1 0 306.278 -0.419 20 0 DBADRM CC[C@H](C)C[C@H](CO)NC(=O)C(=O)N=c1nc2n([n-]1)CCCC2 ZINC000646815706 391946751 /nfs/dbraw/zinc/94/67/51/391946751.db2.gz SYDJAGXJOPVUSA-WDEREUQCSA-N -1 0 323.397 -0.112 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccccc1F ZINC000277610862 130626123 /nfs/dbraw/zinc/62/61/23/130626123.db2.gz LUXBAPBFOAZGCP-UHFFFAOYSA-N -1 0 302.327 -0.050 20 0 DBADRM NS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1C[C@H]1C(=O)[O-])CC2 ZINC000649453375 392073069 /nfs/dbraw/zinc/07/30/69/392073069.db2.gz BSIAAIYBPRWEFQ-NXEZZACHSA-N -1 0 310.331 -0.056 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000649453872 392073602 /nfs/dbraw/zinc/07/36/02/392073602.db2.gz OKQXTLWFIYSCKX-SNVBAGLBSA-N -1 0 306.384 -0.117 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000649453121 392074019 /nfs/dbraw/zinc/07/40/19/392074019.db2.gz BWCPDGPQTLNRSF-IUCAKERBSA-N -1 0 306.384 -0.069 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N[C@H](CCF)C(=O)[O-])C1 ZINC000649530934 392086929 /nfs/dbraw/zinc/08/69/29/392086929.db2.gz POYCGINGRJGULM-JGVFFNPUSA-N -1 0 311.335 -0.868 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@@]2(C(=O)[O-])CCSC2)S1(=O)=O ZINC000649246120 392023261 /nfs/dbraw/zinc/02/32/61/392023261.db2.gz OHTSODYIAPZGJL-XVKPBYJWSA-N -1 0 308.381 -0.903 20 0 DBADRM CN1CC[C@H](C(=O)N2CCC(CC(=O)[O-])CC2)S1(=O)=O ZINC000649240201 392023326 /nfs/dbraw/zinc/02/33/26/392023326.db2.gz RCTAUQHYJZXLLB-SNVBAGLBSA-N -1 0 304.368 -0.266 20 0 DBADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000649250235 392024373 /nfs/dbraw/zinc/02/43/73/392024373.db2.gz VFCNWAVTYZTVGF-ZWNOBZJWSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1[C@H](C)OCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000380381877 392062576 /nfs/dbraw/zinc/06/25/76/392062576.db2.gz QQFIGXVPNOYSID-BDAKNGLRSA-N -1 0 303.340 -0.234 20 0 DBADRM NS(=O)(=O)CC1CCN(c2cncc(C(=O)[O-])n2)CC1 ZINC000649388553 392062792 /nfs/dbraw/zinc/06/27/92/392062792.db2.gz WKMGLJYZYYOAQT-UHFFFAOYSA-N -1 0 300.340 -0.320 20 0 DBADRM O=C([O-])c1cncnc1NCCCN1CCCS1(=O)=O ZINC000649387821 392063171 /nfs/dbraw/zinc/06/31/71/392063171.db2.gz CPCRIJMWNLUKIT-UHFFFAOYSA-N -1 0 300.340 -0.566 20 0 DBADRM C[C@H]1OCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)[C@@H]1C ZINC000380381890 392063407 /nfs/dbraw/zinc/06/34/07/392063407.db2.gz QQFIGXVPNOYSID-RKDXNWHRSA-N -1 0 303.340 -0.234 20 0 DBADRM CCN(CCCNC(=O)N(C)[C@H](C)C(=O)[O-])S(C)(=O)=O ZINC000555790927 392111329 /nfs/dbraw/zinc/11/13/29/392111329.db2.gz LGKQUMSVIWWCPI-SECBINFHSA-N -1 0 309.388 -0.228 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000280066257 130780134 /nfs/dbraw/zinc/78/01/34/130780134.db2.gz JCLVFWPQMRDXIJ-JTQLQIEISA-N -1 0 303.274 -0.197 20 0 DBADRM C[C@H](CCNS(=O)(=O)c1cc(C(N)=O)n(C)c1)CC(=O)[O-] ZINC000275087074 392122817 /nfs/dbraw/zinc/12/28/17/392122817.db2.gz ZTEFIRIIZMNJKI-MRVPVSSYSA-N -1 0 317.367 -0.097 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000274188160 392123114 /nfs/dbraw/zinc/12/31/14/392123114.db2.gz QCANQEXUUBQXLH-UHFFFAOYSA-N -1 0 310.281 -0.040 20 0 DBADRM C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000280121939 130784364 /nfs/dbraw/zinc/78/43/64/130784364.db2.gz ZSYYCBMXYBPORH-SSDOTTSWSA-N -1 0 322.364 -0.373 20 0 DBADRM CCOC(=O)N1CCC[C@@H](C(=O)NCCc2nc(=O)o[n-]2)C1 ZINC000280118494 130784835 /nfs/dbraw/zinc/78/48/35/130784835.db2.gz OASDSAPXJSMXCH-SECBINFHSA-N -1 0 312.326 -0.110 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000280166203 130787420 /nfs/dbraw/zinc/78/74/20/130787420.db2.gz RVVXOBOMFBZWJP-JTQLQIEISA-N -1 0 320.305 -0.102 20 0 DBADRM Cn1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)n1 ZINC000340076450 130841738 /nfs/dbraw/zinc/84/17/38/130841738.db2.gz JXQQLBYJVPMQTA-UHFFFAOYSA-N -1 0 316.364 -0.132 20 0 DBADRM Cn1cnc2cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccc21 ZINC000281971228 130894921 /nfs/dbraw/zinc/89/49/21/130894921.db2.gz FJQQRXPAZSKROL-UHFFFAOYSA-N -1 0 324.362 -0.231 20 0 DBADRM COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000282217428 130907837 /nfs/dbraw/zinc/90/78/37/130907837.db2.gz GOIQLRJTPUFXPT-ZJUUUORDSA-N -1 0 303.278 -0.297 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000283623445 131008450 /nfs/dbraw/zinc/00/84/50/131008450.db2.gz WEHRUDKZOADCGR-UHFFFAOYSA-N -1 0 301.328 -0.766 20 0 DBADRM Cc1cc(F)ccc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000035186283 392354671 /nfs/dbraw/zinc/35/46/71/392354671.db2.gz BZKJMTKOFKIJQE-UHFFFAOYSA-N -1 0 304.299 -0.387 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)[C@@H](C)COC)C(=O)[O-] ZINC000399735432 392354679 /nfs/dbraw/zinc/35/46/79/392354679.db2.gz VMPYVZVAGYFULB-IUCAKERBSA-N -1 0 311.356 -0.263 20 0 DBADRM CCCNC(=O)NC(=O)CN1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000284316249 131069358 /nfs/dbraw/zinc/06/93/58/131069358.db2.gz PLIQPBPOXWLEHF-SECBINFHSA-N -1 0 311.342 -0.222 20 0 DBADRM COC1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000035651844 392364901 /nfs/dbraw/zinc/36/49/01/392364901.db2.gz OGIRYTCAVRFRPG-UHFFFAOYSA-N -1 0 303.340 -0.233 20 0 DBADRM CCC[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000036838201 392365902 /nfs/dbraw/zinc/36/59/02/392365902.db2.gz LBSHTNMUCTULAN-MRVPVSSYSA-N -1 0 303.340 -0.344 20 0 DBADRM Cc1cc(S(=O)(=O)NCCOCC(N)=O)ccc1C(=O)[O-] ZINC000285250897 131150817 /nfs/dbraw/zinc/15/08/17/131150817.db2.gz ZCPIIMJYHUFVAV-UHFFFAOYSA-N -1 0 316.335 -0.527 20 0 DBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccoc1 ZINC000285307132 131156153 /nfs/dbraw/zinc/15/61/53/131156153.db2.gz YUADBOBNXBJTEA-IONNQARKSA-N -1 0 302.308 -0.381 20 0 DBADRM COc1cc(F)c(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1OC ZINC000036969028 392368604 /nfs/dbraw/zinc/36/86/04/392368604.db2.gz ZDFBXKAMUISOFL-ZETCQYMHSA-N -1 0 323.298 -0.433 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000036967676 392368688 /nfs/dbraw/zinc/36/86/88/392368688.db2.gz YAVLYEXUDZZCCN-MWLCHTKSSA-N -1 0 313.331 -0.170 20 0 DBADRM C[C@H](O)[C@@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)[O-] ZINC000037374574 392372425 /nfs/dbraw/zinc/37/24/25/392372425.db2.gz KQZOPWVNAANQQY-YLWLKBPMSA-N -1 0 317.348 -0.196 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1F ZINC000037462757 392373459 /nfs/dbraw/zinc/37/34/59/392373459.db2.gz BSVPFAIUCFQWMG-MRVPVSSYSA-N -1 0 320.298 -0.559 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-] ZINC000037406450 392373614 /nfs/dbraw/zinc/37/36/14/392373614.db2.gz GJUSYBCFAZSDAU-SECBINFHSA-N -1 0 314.319 -0.772 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)[O-] ZINC000037418145 392374127 /nfs/dbraw/zinc/37/41/27/392374127.db2.gz YOFCTCBBGNKTIS-ZCFIWIBFSA-N -1 0 300.292 -0.117 20 0 DBADRM C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc21 ZINC000037413401 392374219 /nfs/dbraw/zinc/37/42/19/392374219.db2.gz CBVJPRFZGGJZHP-WKEGUHRASA-N -1 0 314.319 -0.534 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCCN(C)CC1 ZINC000037490229 392375322 /nfs/dbraw/zinc/37/53/22/392375322.db2.gz LIGSBXBRHQFGHY-UHFFFAOYSA-N -1 0 316.383 -0.087 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000037465290 392375494 /nfs/dbraw/zinc/37/54/94/392375494.db2.gz QNLZQVAPKPOJRM-JTQLQIEISA-N -1 0 320.367 -0.335 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000287248734 131271139 /nfs/dbraw/zinc/27/11/39/131271139.db2.gz PHHYFKNXKBKISO-RXMQYKEDSA-N -1 0 314.241 -0.176 20 0 DBADRM CC(C)N(CCC(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000037592126 392377715 /nfs/dbraw/zinc/37/77/15/392377715.db2.gz PIPULMPPIDFAKH-UHFFFAOYSA-N -1 0 317.367 -0.002 20 0 DBADRM CCC[C@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC000036838114 392377741 /nfs/dbraw/zinc/37/77/41/392377741.db2.gz VFAPVFWYRXOPDG-JTQLQIEISA-N -1 0 322.383 -0.041 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(=O)[O-])c(Br)n1C ZINC000287307240 131274714 /nfs/dbraw/zinc/27/47/14/131274714.db2.gz UAEBJPNGDVVPTJ-UHFFFAOYSA-N -1 0 312.145 -0.146 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)[N-][C@H](CF)C(=O)OC)c1 ZINC000287377175 131277348 /nfs/dbraw/zinc/27/73/48/131277348.db2.gz JHPLURYPIAGMJF-SSDOTTSWSA-N -1 0 309.271 -0.144 20 0 DBADRM CCC(=O)C[C@@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-] ZINC000287724767 131296286 /nfs/dbraw/zinc/29/62/86/131296286.db2.gz YVXHOSMZGIBYJP-SECBINFHSA-N -1 0 323.367 -0.073 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@](C)(C(N)=O)C(C)C)o1 ZINC000287747718 131298816 /nfs/dbraw/zinc/29/88/16/131298816.db2.gz GWPFRYHKHGECJH-LBPRGKRZSA-N -1 0 317.367 -0.183 20 0 DBADRM C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N=c1nc2n([n-]1)CCCC2 ZINC000646942496 392388071 /nfs/dbraw/zinc/38/80/71/392388071.db2.gz NTAAWNCJDJRPQJ-IUCAKERBSA-N -1 0 309.395 -0.015 20 0 DBADRM COCCN1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1=O ZINC000646951159 392390716 /nfs/dbraw/zinc/39/07/16/392390716.db2.gz CIHXZLSTXNZTBJ-UHFFFAOYSA-N -1 0 320.305 -0.141 20 0 DBADRM O=C(CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)Nc1nncs1 ZINC000289518422 131392246 /nfs/dbraw/zinc/39/22/46/131392246.db2.gz VNCBSCGAUOQBBQ-SSDOTTSWSA-N -1 0 309.355 -0.232 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000033450130 392411883 /nfs/dbraw/zinc/41/18/83/392411883.db2.gz KYLHAKQYJIOSIG-LBPRGKRZSA-N -1 0 301.343 -0.756 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-] ZINC000556775381 392427554 /nfs/dbraw/zinc/42/75/54/392427554.db2.gz KGVGIJWNVQZBRQ-VIFPVBQESA-N -1 0 312.388 -0.333 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-]c1n[nH]c(C)c1C(N)=O)C1CC1 ZINC000647129920 392434883 /nfs/dbraw/zinc/43/48/83/392434883.db2.gz MIWODRJMKUFOST-MRVPVSSYSA-N -1 0 302.356 -0.016 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000040396369 392441622 /nfs/dbraw/zinc/44/16/22/392441622.db2.gz YAVLYEXUDZZCCN-KOLCDFICSA-N -1 0 313.331 -0.170 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCCn2cccn2)C[C@@H]1C(=O)[O-] ZINC000583440881 392533614 /nfs/dbraw/zinc/53/36/14/392533614.db2.gz BQIVHKOGFWGASX-RYUDHWBXSA-N -1 0 322.365 -0.041 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000583444444 392534062 /nfs/dbraw/zinc/53/40/62/392534062.db2.gz ZYNGVJVDQALLRR-NTSWFWBYSA-N -1 0 302.299 -0.509 20 0 DBADRM CN(C)c1nc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc(=O)[nH]1 ZINC000559008778 392474804 /nfs/dbraw/zinc/47/48/04/392474804.db2.gz FGBAAJYCLMRXEK-MRVPVSSYSA-N -1 0 318.341 -0.219 20 0 DBADRM O=C(CNS(=O)(=O)c1cccnc1)[N-]OC[C@@H]1CCOC1 ZINC000290730656 131513149 /nfs/dbraw/zinc/51/31/49/131513149.db2.gz LZUNZKPOHZWYFI-SNVBAGLBSA-N -1 0 315.351 -0.556 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1 ZINC000040699236 392480889 /nfs/dbraw/zinc/48/08/89/392480889.db2.gz FYQRZAMQLYJVAM-JTQLQIEISA-N -1 0 317.319 -0.413 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc1F ZINC000040699452 392483094 /nfs/dbraw/zinc/48/30/94/392483094.db2.gz UZYYOTTVISZRLJ-SECBINFHSA-N -1 0 307.299 -0.052 20 0 DBADRM Cc1cn2c(ncc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c2=O)s1 ZINC000647219389 392484297 /nfs/dbraw/zinc/48/42/97/392484297.db2.gz AAXAVWBECFAPLN-SECBINFHSA-N -1 0 323.330 -0.010 20 0 DBADRM Cc1cccn2c(=O)c(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cnc12 ZINC000647219457 392484410 /nfs/dbraw/zinc/48/44/10/392484410.db2.gz DKWHCRHBAPPGIQ-LLVKDONJSA-N -1 0 317.301 -0.071 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N(C)CCC(=O)[O-] ZINC000647221803 392485846 /nfs/dbraw/zinc/48/58/46/392485846.db2.gz IDOAXZVGHORYCT-UHFFFAOYSA-N -1 0 306.326 -0.371 20 0 DBADRM CCCC(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000370863459 392509762 /nfs/dbraw/zinc/50/97/62/392509762.db2.gz WBDXZADANIIFTC-WDEREUQCSA-N -1 0 322.369 -0.109 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)c1ccnc2c(C(N)=O)cnn21)C1CC1 ZINC000647249556 392513051 /nfs/dbraw/zinc/51/30/51/392513051.db2.gz CLJMMNLPSIQWPU-SSDOTTSWSA-N -1 0 317.305 -0.094 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000427716676 392553024 /nfs/dbraw/zinc/55/30/24/392553024.db2.gz AAAKEPXIJFXTML-SSDOTTSWSA-N -1 0 320.305 -0.775 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000427757325 392554010 /nfs/dbraw/zinc/55/40/10/392554010.db2.gz HXAXPVUQAZMBAM-ZCFIWIBFSA-N -1 0 306.278 -0.373 20 0 DBADRM CO[C@@H](CNC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000427770726 392554694 /nfs/dbraw/zinc/55/46/94/392554694.db2.gz LKAATCZXCRUVCD-JTQLQIEISA-N -1 0 306.278 -0.993 20 0 DBADRM O=C(N[C@H]1CC[C@H](CO)CC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000132976716 392564688 /nfs/dbraw/zinc/56/46/88/392564688.db2.gz JXKDAFACRIOXJS-WAAGHKOSSA-N -1 0 318.333 -0.108 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(C(N)=O)cn1 ZINC000643850518 392574167 /nfs/dbraw/zinc/57/41/67/392574167.db2.gz TYXNGXXMXYDPEW-CQSZACIVSA-N -1 0 307.306 -0.114 20 0 DBADRM COC(=O)[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1)OC ZINC000291869668 131605982 /nfs/dbraw/zinc/60/59/82/131605982.db2.gz HIWPGHMWIRUTNP-SNVBAGLBSA-N -1 0 317.319 -0.149 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647502918 392619257 /nfs/dbraw/zinc/61/92/57/392619257.db2.gz YFBGPNVKVCQXSV-VIFPVBQESA-N -1 0 311.338 -0.953 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000647478642 392591479 /nfs/dbraw/zinc/59/14/79/392591479.db2.gz YOJCAWHRRKDDRY-QMMMGPOBSA-N -1 0 307.306 -0.036 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C[C@@H](CO)O1 ZINC000647481804 392591869 /nfs/dbraw/zinc/59/18/69/392591869.db2.gz PEUBVXLNRQKWAM-CABZTGNLSA-N -1 0 322.317 -0.069 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1OC)C(=O)[O-] ZINC000647489132 392596493 /nfs/dbraw/zinc/59/64/93/392596493.db2.gz QSELVCUZWPNEJN-QMMMGPOBSA-N -1 0 323.305 -0.288 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)C(=O)[O-] ZINC000647487447 392596765 /nfs/dbraw/zinc/59/67/65/392596765.db2.gz NNOYMASBFJEWAP-GHMZBOCLSA-N -1 0 324.337 -0.020 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)C(=O)[O-] ZINC000647489087 392596869 /nfs/dbraw/zinc/59/68/69/392596869.db2.gz NNOYMASBFJEWAP-MNOVXSKESA-N -1 0 324.337 -0.020 20 0 DBADRM C[C@@H](O)C[C@H](C)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000153863577 392597722 /nfs/dbraw/zinc/59/77/22/392597722.db2.gz ZGFGKNHYOJJPQG-JGVFFNPUSA-N -1 0 306.322 -0.252 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cnnn1C ZINC000643971358 392603171 /nfs/dbraw/zinc/60/31/71/392603171.db2.gz LOKIQDXIBYJXPF-SNVBAGLBSA-N -1 0 304.328 -0.931 20 0 DBADRM Cc1nc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)nn1C ZINC000427649265 392549581 /nfs/dbraw/zinc/54/95/81/392549581.db2.gz WMXOVCGRJXMFKB-UHFFFAOYSA-N -1 0 320.338 -0.100 20 0 DBADRM CCc1onc(C)c1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424236546 392664867 /nfs/dbraw/zinc/66/48/67/392664867.db2.gz HBWCMUFUJQBREP-SECBINFHSA-N -1 0 316.335 -0.131 20 0 DBADRM COc1ncccc1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424231599 392666038 /nfs/dbraw/zinc/66/60/38/392666038.db2.gz BGJOQFJIJFEXMG-VIFPVBQESA-N -1 0 314.319 -0.586 20 0 DBADRM CCc1cccnc1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424251632 392666748 /nfs/dbraw/zinc/66/67/48/392666748.db2.gz VIHGRTQKXDOBRO-JTQLQIEISA-N -1 0 312.347 -0.032 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)n1cccn1 ZINC000424244449 392666879 /nfs/dbraw/zinc/66/68/79/392666879.db2.gz NXTQIFFALSQQCO-DTWKUNHWSA-N -1 0 301.324 -0.846 20 0 DBADRM Cc1ncc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)s1 ZINC000424246109 392666997 /nfs/dbraw/zinc/66/69/97/392666997.db2.gz PNRVVSMUWBWBQL-MRVPVSSYSA-N -1 0 304.349 -0.225 20 0 DBADRM C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)O1 ZINC000424256287 392667059 /nfs/dbraw/zinc/66/70/59/392667059.db2.gz JCBVSZMDBVKLIV-JXUBOQSCSA-N -1 0 305.352 -0.490 20 0 DBADRM COC[C@H]1CCN(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424363153 392669159 /nfs/dbraw/zinc/66/91/59/392669159.db2.gz BDXGCLVPAMEPEL-VHSXEESVSA-N -1 0 320.367 -0.742 20 0 DBADRM CC1(C)COC[C@H]1NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424400180 392670172 /nfs/dbraw/zinc/67/01/72/392670172.db2.gz SWCFSYOIAHYDOP-RKDXNWHRSA-N -1 0 320.367 -0.695 20 0 DBADRM Cc1cc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n2ncnc2n1 ZINC000424478784 392670214 /nfs/dbraw/zinc/67/02/14/392670214.db2.gz XIXZFGCWRDIIIL-QMMMGPOBSA-N -1 0 311.323 -0.879 20 0 DBADRM CC(C)Oc1nccnc1N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424478775 392670264 /nfs/dbraw/zinc/67/02/64/392670264.db2.gz XHKVDMQSBHRBBE-VIFPVBQESA-N -1 0 315.351 -0.048 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCc1cn(C)nn1)C(=O)[O-] ZINC000644202033 392693430 /nfs/dbraw/zinc/69/34/30/392693430.db2.gz SJIAXPZMZQQNAO-VIFPVBQESA-N -1 0 311.342 -0.706 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nccnc2OC(F)F)CCS1(=O)=O ZINC000424474979 392670417 /nfs/dbraw/zinc/67/04/17/392670417.db2.gz SHNDMBJYMPATDL-LURJTMIESA-N -1 0 323.277 -0.234 20 0 DBADRM CO[C@H](CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C1CC1 ZINC000424401245 392670549 /nfs/dbraw/zinc/67/05/49/392670549.db2.gz YXEGATDMQKXESW-ZJUUUORDSA-N -1 0 320.367 -0.695 20 0 DBADRM COC[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C1CC1 ZINC000424404449 392670556 /nfs/dbraw/zinc/67/05/56/392670556.db2.gz GLIPHXMNHBMDFW-VHSXEESVSA-N -1 0 320.367 -0.695 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H](F)C2)CCS1(=O)=O ZINC000424400930 392670567 /nfs/dbraw/zinc/67/05/67/392670567.db2.gz WQQMHJVXTVTBSX-HLTSFMKQSA-N -1 0 308.331 -0.230 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](F)C2)CCS1(=O)=O ZINC000424400931 392670604 /nfs/dbraw/zinc/67/06/04/392670604.db2.gz WQQMHJVXTVTBSX-VGMNWLOBSA-N -1 0 308.331 -0.230 20 0 DBADRM COC[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C1CC1 ZINC000424404448 392670620 /nfs/dbraw/zinc/67/06/20/392670620.db2.gz GLIPHXMNHBMDFW-UWVGGRQHSA-N -1 0 320.367 -0.695 20 0 DBADRM CCc1ncnc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1F ZINC000424470395 392671835 /nfs/dbraw/zinc/67/18/35/392671835.db2.gz LKTZQLCKYJKOJJ-QMMMGPOBSA-N -1 0 303.315 -0.134 20 0 DBADRM COCc1nc(C)cc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424472705 392672469 /nfs/dbraw/zinc/67/24/69/392672469.db2.gz PKEHIGBSOGXJBT-VIFPVBQESA-N -1 0 315.351 -0.381 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C1 ZINC000319182442 392622935 /nfs/dbraw/zinc/62/29/35/392622935.db2.gz JXXKYQNYNDRGIQ-QMTHXVAHSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(c3cncc4ncnn43)C2)nn1 ZINC000644168842 392626214 /nfs/dbraw/zinc/62/62/14/392626214.db2.gz GUTMHPRWCVEEFR-MRVPVSSYSA-N -1 0 300.282 -0.135 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647509212 392627281 /nfs/dbraw/zinc/62/72/81/392627281.db2.gz UYLMGGCXSNPXOF-NSHDSACASA-N -1 0 312.366 -0.071 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCCCn2ccnc2)C1 ZINC000647577947 392646194 /nfs/dbraw/zinc/64/61/94/392646194.db2.gz XUSITDSAWJFUFS-MNOVXSKESA-N -1 0 308.338 -0.241 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@H]2CCSC2)CCOCC1 ZINC000647583156 392647765 /nfs/dbraw/zinc/64/77/65/392647765.db2.gz HLEOHCGNOYQBCW-VIFPVBQESA-N -1 0 316.379 -0.394 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647581750 392647894 /nfs/dbraw/zinc/64/78/94/392647894.db2.gz MYGUTSFSGRIFOM-UHFFFAOYSA-N -1 0 316.354 -0.521 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCCCn2cccn2)C1 ZINC000647579898 392647972 /nfs/dbraw/zinc/64/79/72/392647972.db2.gz SYDINHBFAORDPF-MNOVXSKESA-N -1 0 308.338 -0.241 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NCCn2cccn2)CC1 ZINC000647581244 392647986 /nfs/dbraw/zinc/64/79/86/392647986.db2.gz UVSNDZZVDSIKCU-UHFFFAOYSA-N -1 0 308.338 -0.287 20 0 DBADRM Cn1nccc1CNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647580462 392648288 /nfs/dbraw/zinc/64/82/88/392648288.db2.gz OYNFVYIKFRTKNC-UHFFFAOYSA-N -1 0 308.338 -0.250 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCCOC[C@@H]1CCOC1 ZINC000647583549 392648299 /nfs/dbraw/zinc/64/82/99/392648299.db2.gz YMBSJDYVFAUCLT-SNVBAGLBSA-N -1 0 302.327 -0.863 20 0 DBADRM CCOC[C@H](C)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647588252 392649256 /nfs/dbraw/zinc/64/92/56/392649256.db2.gz LIUNPQJVPQPFPV-JTQLQIEISA-N -1 0 316.354 -0.475 20 0 DBADRM COCC1(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000647589932 392649528 /nfs/dbraw/zinc/64/95/28/392649528.db2.gz NHRTZTRONBYICZ-SNVBAGLBSA-N -1 0 314.338 -0.769 20 0 DBADRM CCc1nncn1CCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647585626 392649703 /nfs/dbraw/zinc/64/97/03/392649703.db2.gz ZKTBCPRTQOUXRF-VHSXEESVSA-N -1 0 323.353 -0.674 20 0 DBADRM CCN(CC(C)(C)O)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647592930 392650700 /nfs/dbraw/zinc/65/07/00/392650700.db2.gz VKTNAPDIVDAZJA-VHSXEESVSA-N -1 0 300.355 -0.025 20 0 DBADRM CCN(CCOCCO)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647592989 392651044 /nfs/dbraw/zinc/65/10/44/392651044.db2.gz XKBDTCBQGHRGIF-WDEREUQCSA-N -1 0 316.354 -0.787 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCO1 ZINC000647590719 392651056 /nfs/dbraw/zinc/65/10/56/392651056.db2.gz AMMMHARBWQCVQD-AXFHLTTASA-N -1 0 314.338 -0.770 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC(Cn2cncn2)CC1 ZINC000647590555 392651229 /nfs/dbraw/zinc/65/12/29/392651229.db2.gz TWOVGBRSUZIESM-UHFFFAOYSA-N -1 0 323.353 -0.502 20 0 DBADRM CN1CC[C@H](C(=O)NC2(C(=O)[O-])CCCCC2)S1(=O)=O ZINC000647601974 392654663 /nfs/dbraw/zinc/65/46/63/392654663.db2.gz VNBHIDYMSHKFHX-SECBINFHSA-N -1 0 304.368 -0.076 20 0 DBADRM COCCS(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000647624269 392657492 /nfs/dbraw/zinc/65/74/92/392657492.db2.gz WVFJQTXTWHNYFH-VIFPVBQESA-N -1 0 318.355 -0.411 20 0 DBADRM C[C@](O)(CNS(=O)(=O)CCCC1CCOCC1)C(=O)[O-] ZINC000647639827 392662155 /nfs/dbraw/zinc/66/21/55/392662155.db2.gz RPSBGCGLLTYRDM-LBPRGKRZSA-N -1 0 309.384 -0.052 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(OCC(=O)NCC(=O)[O-])cc1 ZINC000644282433 392712182 /nfs/dbraw/zinc/71/21/82/392712182.db2.gz KUQRGHUXVUWKEN-UHFFFAOYSA-N -1 0 316.335 -0.484 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)CCCN2C(=O)CCC2=O)cn1 ZINC000647745853 392836966 /nfs/dbraw/zinc/83/69/66/392836966.db2.gz RDIVBLLVCQVMSQ-UHFFFAOYSA-N -1 0 308.294 -0.165 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)CC(=O)NCC(F)(F)F)cn1 ZINC000647743908 392837482 /nfs/dbraw/zinc/83/74/82/392837482.db2.gz IIXCOVXGWILQGN-UHFFFAOYSA-N -1 0 308.216 -0.025 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCOCC(F)F)C[C@H]1C(=O)[O-] ZINC000567887286 392837515 /nfs/dbraw/zinc/83/75/15/392837515.db2.gz GUIVLFKIPCAAHK-RKDXNWHRSA-N -1 0 322.308 -0.047 20 0 DBADRM O=C([O-])CCN(CCO)S(=O)(=O)CCC1CCOCC1 ZINC000644856319 392840008 /nfs/dbraw/zinc/84/00/08/392840008.db2.gz HBOFLFZEJLEPQP-UHFFFAOYSA-N -1 0 309.384 -0.098 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)C[C@]2(C(=O)[O-])CCSC2)C1=O ZINC000644538295 392777381 /nfs/dbraw/zinc/77/73/81/392777381.db2.gz NUEWHHZGAHPUGV-AMIZOPFISA-N -1 0 314.363 -0.152 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)C[C@@]2(C(=O)[O-])CCSC2)C1=O ZINC000644538297 392777563 /nfs/dbraw/zinc/77/75/63/392777563.db2.gz NUEWHHZGAHPUGV-OQPBUACISA-N -1 0 314.363 -0.152 20 0 DBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)CCOCC1CC1 ZINC000644571489 392778569 /nfs/dbraw/zinc/77/85/69/392778569.db2.gz XOVXBBARGVDPMF-SNVBAGLBSA-N -1 0 309.384 -0.100 20 0 DBADRM CO[C@@H](C)c1nsc(NC([O-])=C2CCN(C)S2(=O)=O)n1 ZINC000648383858 392795562 /nfs/dbraw/zinc/79/55/62/392795562.db2.gz LYERLQGLQDFZOJ-BQBZGAKWSA-N -1 0 320.396 -0.360 20 0 DBADRM C[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000647755328 392841455 /nfs/dbraw/zinc/84/14/55/392841455.db2.gz AKDDFRREDXDRAE-BDAKNGLRSA-N -1 0 306.384 -0.117 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000497189176 392800500 /nfs/dbraw/zinc/80/05/00/392800500.db2.gz DVUYOUCAGFEWIA-LURJTMIESA-N -1 0 305.287 -0.230 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000390133589 392804828 /nfs/dbraw/zinc/80/48/28/392804828.db2.gz CJWZBTRIFBZDAB-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000390254185 392806900 /nfs/dbraw/zinc/80/69/00/392806900.db2.gz MYSLPUODMVONOE-JTQLQIEISA-N -1 0 323.415 -0.028 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000054053873 392809783 /nfs/dbraw/zinc/80/97/83/392809783.db2.gz DMRCYRSSPITUCE-DTWKUNHWSA-N -1 0 308.356 -0.336 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCC[C@H](CC(=O)[O-])C2)S1(=O)=O ZINC000647727964 392827465 /nfs/dbraw/zinc/82/74/65/392827465.db2.gz NCNGOJLWLBMHIB-ZJUUUORDSA-N -1 0 304.368 -0.266 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000021504832 392831750 /nfs/dbraw/zinc/83/17/50/392831750.db2.gz JDZAZBONUDRZOB-NSHDSACASA-N -1 0 300.336 -0.021 20 0 DBADRM COc1ccnc(C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1 ZINC000647743595 392835865 /nfs/dbraw/zinc/83/58/65/392835865.db2.gz PYVFWYOTZLHMNI-SECBINFHSA-N -1 0 319.277 -0.504 20 0 DBADRM COc1ccnc(C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1 ZINC000647743596 392836027 /nfs/dbraw/zinc/83/60/27/392836027.db2.gz PYVFWYOTZLHMNI-VIFPVBQESA-N -1 0 319.277 -0.504 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N[C@@](C)(COC)C(=O)[O-] ZINC000262152438 392900964 /nfs/dbraw/zinc/90/09/64/392900964.db2.gz UCPOSWXYTHHGKZ-UFBFGSQYSA-N -1 0 304.368 -0.096 20 0 DBADRM CC[C@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000647768647 392855649 /nfs/dbraw/zinc/85/56/49/392855649.db2.gz NKMWPVWCOZNXPD-QMMMGPOBSA-N -1 0 306.278 -0.373 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000571047489 392859456 /nfs/dbraw/zinc/85/94/56/392859456.db2.gz VJNOVDTXJRGYLW-VHSXEESVSA-N -1 0 306.384 -0.165 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)C(=O)[O-] ZINC000647769244 392860131 /nfs/dbraw/zinc/86/01/31/392860131.db2.gz PIEGANNOHYBTIL-JTQLQIEISA-N -1 0 317.367 -0.125 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000647773407 392868356 /nfs/dbraw/zinc/86/83/56/392868356.db2.gz YBHJCVFXCMEPSI-SCZZXKLOSA-N -1 0 311.342 -0.111 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000647779476 392873793 /nfs/dbraw/zinc/87/37/93/392873793.db2.gz MYYHCDRIPWZRKM-VHSXEESVSA-N -1 0 319.383 -0.729 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC[C@]1(COC)C(=O)[O-] ZINC000647928972 392937543 /nfs/dbraw/zinc/93/75/43/392937543.db2.gz ZRRHYQMTQHCKJO-NSHDSACASA-N -1 0 310.372 -0.625 20 0 DBADRM COc1ncccc1NC(=O)c1c([O-])n(C)c(=O)n(C)c1=O ZINC000271065308 392929144 /nfs/dbraw/zinc/92/91/44/392929144.db2.gz CYNBHKCQDBLXRK-UHFFFAOYSA-N -1 0 306.278 -0.305 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NS(=O)(=O)N1CCOCC1 ZINC000647928638 392937327 /nfs/dbraw/zinc/93/73/27/392937327.db2.gz QNYIWFPREXCHRV-NSHDSACASA-N -1 0 315.351 -0.756 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000298135715 132047180 /nfs/dbraw/zinc/04/71/80/132047180.db2.gz YYOYLWXMBMWURR-UHFFFAOYSA-N -1 0 304.324 -0.340 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cn(C)cn1 ZINC000647927933 392936456 /nfs/dbraw/zinc/93/64/56/392936456.db2.gz AERCYTBGJCSYLV-LLVKDONJSA-N -1 0 303.340 -0.326 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000647902244 392920839 /nfs/dbraw/zinc/92/08/39/392920839.db2.gz DZUNKLFLVQHMST-LLVKDONJSA-N -1 0 300.384 -0.248 20 0 DBADRM COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])s1 ZINC000274950580 392940912 /nfs/dbraw/zinc/94/09/12/392940912.db2.gz SMVUHCNGVGXTJJ-ZETCQYMHSA-N -1 0 323.348 -0.813 20 0 DBADRM Cc1nn2c(SCC(=O)c3cnccn3)n[n-]c2nc1=O ZINC000340670312 132140134 /nfs/dbraw/zinc/14/01/34/132140134.db2.gz JAWIAIFZLPPCGK-UHFFFAOYSA-N -1 0 303.307 -0.114 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000282132119 392951632 /nfs/dbraw/zinc/95/16/32/392951632.db2.gz IPWCEVDTTWLLIC-IMTBSYHQSA-N -1 0 317.305 -0.310 20 0 DBADRM COc1cc(NC(=O)C(=O)NCc2nnn[n-]2)cc(OC)c1C ZINC000645336207 392965267 /nfs/dbraw/zinc/96/52/67/392965267.db2.gz KBLLGLFIFZDGAF-UHFFFAOYSA-N -1 0 320.309 -0.220 20 0 DBADRM O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)c1nc(=O)[nH][n-]1 ZINC000101671608 392976661 /nfs/dbraw/zinc/97/66/61/392976661.db2.gz HCIQDVXWZJDCDB-LLVKDONJSA-N -1 0 315.333 -0.282 20 0 DBADRM O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1nc(=O)[nH][n-]1 ZINC000101671606 392977684 /nfs/dbraw/zinc/97/76/84/392977684.db2.gz HCIQDVXWZJDCDB-NSHDSACASA-N -1 0 315.333 -0.282 20 0 DBADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])ccn1)C(=O)N1CCOCC1 ZINC000416415539 393004195 /nfs/dbraw/zinc/00/41/95/393004195.db2.gz KAXZIJZYUSTGFN-SECBINFHSA-N -1 0 307.306 -0.243 20 0 DBADRM COCCS(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417444248 393046735 /nfs/dbraw/zinc/04/67/35/393046735.db2.gz CHJRXLJVXUDDJV-NXEZZACHSA-N -1 0 322.383 -0.738 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N2C[C@H](O)[C@H](CO)C2)c1 ZINC000424885273 393052804 /nfs/dbraw/zinc/05/28/04/393052804.db2.gz CURITMKZQXESOJ-VVSNUNSYSA-N -1 0 313.375 -0.386 20 0 DBADRM O=C(CN1CC(=O)NC1=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000348826856 393171286 /nfs/dbraw/zinc/17/12/86/393171286.db2.gz JYFXPHUWONBJLH-UHFFFAOYSA-N -1 0 317.261 -0.480 20 0 DBADRM CN1C(=O)c2ccc(C(=O)NC3(c4nnn[n-]4)CC3)cc2C1=O ZINC000348276570 393135569 /nfs/dbraw/zinc/13/55/69/393135569.db2.gz OWAKXACTFSFZNX-UHFFFAOYSA-N -1 0 312.289 -0.155 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC2(c3nnn[n-]3)CC2)o1 ZINC000348271739 393135604 /nfs/dbraw/zinc/13/56/04/393135604.db2.gz ACANUMAOCWQPSM-UHFFFAOYSA-N -1 0 312.311 -0.880 20 0 DBADRM NC(=O)COc1ccccc1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000348279135 393136150 /nfs/dbraw/zinc/13/61/50/393136150.db2.gz OVFOCMTWBBCKBC-UHFFFAOYSA-N -1 0 302.294 -0.517 20 0 DBADRM O=C(CCn1nc2ccccn2c1=O)NC1(c2nnn[n-]2)CC1 ZINC000348284666 393136320 /nfs/dbraw/zinc/13/63/20/393136320.db2.gz WEFNCALRGRZGRX-UHFFFAOYSA-N -1 0 314.309 -0.795 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)c1cccc2c1OCC(=O)N2 ZINC000348289109 393137941 /nfs/dbraw/zinc/13/79/41/393137941.db2.gz AGJIMDPXCAMGGD-UHFFFAOYSA-N -1 0 300.278 -0.050 20 0 DBADRM CCCc1nc(=NC(=O)NCC(=O)NCCOC)s[n-]1 ZINC000350899177 393256976 /nfs/dbraw/zinc/25/69/76/393256976.db2.gz LGNYWIYTDDWNKC-UHFFFAOYSA-N -1 0 301.372 -0.203 20 0 DBADRM CC1(C)NC(=O)N(CCCS(=O)(=O)c2n[nH]c(=O)[n-]2)C1=O ZINC000350178662 393232975 /nfs/dbraw/zinc/23/29/75/393232975.db2.gz ZOQTZTVILRNZEE-UHFFFAOYSA-N -1 0 317.327 -0.996 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)CC(=O)N(C)CC2CC2)[n-]1 ZINC000350185982 393235351 /nfs/dbraw/zinc/23/53/51/393235351.db2.gz ZWFFZARBEIGIPA-UHFFFAOYSA-N -1 0 315.351 -0.162 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)NC[C@]2(O)CCOC2)s[n-]1 ZINC000350668175 393243555 /nfs/dbraw/zinc/24/35/55/393243555.db2.gz SQGRLZNZKDCQQT-RDDDGLTNSA-N -1 0 302.356 -0.060 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)NC[C@H](C)S(N)(=O)=O)s[n-]1 ZINC000350640928 393243925 /nfs/dbraw/zinc/24/39/25/393243925.db2.gz ZQSPFYTXUSSXSL-WDSKDSINSA-N -1 0 323.400 -0.534 20 0 DBADRM C[C@H](NC(=O)COc1ccccc1)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000349046804 393186437 /nfs/dbraw/zinc/18/64/37/393186437.db2.gz LEBHONHXPLVIJE-BONVTDFDSA-N -1 0 324.333 -0.478 20 0 DBADRM C[C@](O)(CNC(=O)CCn1ncc(=O)c2ccccc21)C(=O)[O-] ZINC000349059569 393187797 /nfs/dbraw/zinc/18/77/97/393187797.db2.gz XWADZOLIIHXIFA-HNNXBMFYSA-N -1 0 319.317 -0.262 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000349081662 393190405 /nfs/dbraw/zinc/19/04/05/393190405.db2.gz OJWUEDHPTNDECK-GFCCVEGCSA-N -1 0 316.335 -0.840 20 0 DBADRM NC(=O)CCn1ccc(=NC(=O)c2csc(NC3CC3)n2)[nH]1 ZINC000349756576 393215412 /nfs/dbraw/zinc/21/54/12/393215412.db2.gz INHOQUDSYJRHKY-UHFFFAOYSA-N -1 0 320.378 -0.115 20 0 DBADRM NC(=O)C1(CNS(=O)(=O)c2cscn2)CCOCC1 ZINC000645467068 393215647 /nfs/dbraw/zinc/21/56/47/393215647.db2.gz VIDKRRYSDVCMCE-UHFFFAOYSA-N -1 0 305.381 -0.297 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cc(Cn2cccn2)on1 ZINC000351772923 393308163 /nfs/dbraw/zinc/30/81/63/393308163.db2.gz AWGROHHWXUVEES-UHFFFAOYSA-N -1 0 304.266 -0.432 20 0 DBADRM COC[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)OC ZINC000351791058 393309467 /nfs/dbraw/zinc/30/94/67/393309467.db2.gz XZGXCIYBSVILJT-QMMMGPOBSA-N -1 0 322.277 -0.646 20 0 DBADRM Cc1nc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)no1 ZINC000351511645 393279049 /nfs/dbraw/zinc/27/90/49/393279049.db2.gz QKSJYUXHKNQSQU-UHFFFAOYSA-N -1 0 318.336 -0.174 20 0 DBADRM CCC[C@H](NC(=O)CNC(=O)c1ncccc1O)c1nnn[n-]1 ZINC000352564065 393385940 /nfs/dbraw/zinc/38/59/40/393385940.db2.gz VMZZOUKMCMNVER-QMMMGPOBSA-N -1 0 319.325 -0.312 20 0 DBADRM COC(=O)[C@@H](CO)NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000352686733 393396755 /nfs/dbraw/zinc/39/67/55/393396755.db2.gz PJZCSGYZAOQJOB-SECBINFHSA-N -1 0 323.280 -0.019 20 0 DBADRM COC(=O)[C@@H]1CC[C@H]1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000352806067 393403875 /nfs/dbraw/zinc/40/38/75/393403875.db2.gz QYPCCBJIQPHYAY-PHDIDXHHSA-N -1 0 302.312 -0.654 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NCCC1(O)CCOCC1 ZINC000352300982 393365274 /nfs/dbraw/zinc/36/52/74/393365274.db2.gz AKVGRLQCENAURZ-UHFFFAOYSA-N -1 0 306.306 -0.096 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000648451789 393490893 /nfs/dbraw/zinc/49/08/93/393490893.db2.gz JWUNJMLYGUPSRL-NSHDSACASA-N -1 0 308.290 -0.054 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)C(=O)NCc1ccc(F)cc1 ZINC000648451493 393491191 /nfs/dbraw/zinc/49/11/91/393491191.db2.gz ZAXOUNLUYBKYQB-LLVKDONJSA-N -1 0 310.281 -0.246 20 0 DBADRM COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC(=O)N(C)C1=O ZINC000645695810 393493761 /nfs/dbraw/zinc/49/37/61/393493761.db2.gz KUGIJMYUIOXXHJ-QMMMGPOBSA-N -1 0 316.310 -0.130 20 0 DBADRM CN1C(=O)C[C@@H](NS(=O)(=O)CCCC2CCOCC2)C1=O ZINC000645695443 393494110 /nfs/dbraw/zinc/49/41/10/393494110.db2.gz DFJFICVXXALNSI-LLVKDONJSA-N -1 0 318.395 -0.130 20 0 DBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H](C)C(=O)[O-] ZINC000037434537 393502074 /nfs/dbraw/zinc/50/20/74/393502074.db2.gz XSOSPRWLJASNSI-JGVFFNPUSA-N -1 0 312.413 -0.363 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000420575501 393593422 /nfs/dbraw/zinc/59/34/22/393593422.db2.gz ZMYLFQDLWQXVKY-NXEZZACHSA-N -1 0 316.354 -0.131 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263148586 393596814 /nfs/dbraw/zinc/59/68/14/393596814.db2.gz HHGJAZKVEPGDCW-AEJSXWLSSA-N -1 0 306.384 -0.022 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263492704 393597883 /nfs/dbraw/zinc/59/78/83/393597883.db2.gz PMDNYYYQYIWJBP-GBIKHYSHSA-N -1 0 318.395 -0.020 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)NCCC(C)(C)C(=O)[O-])c2=O ZINC000424232421 393634601 /nfs/dbraw/zinc/63/46/01/393634601.db2.gz OGUOMMKSKIVZPZ-UHFFFAOYSA-N -1 0 321.337 -0.253 20 0 DBADRM CC(C)(CCNC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000424224885 393634825 /nfs/dbraw/zinc/63/48/25/393634825.db2.gz BPVHNTVXOAXNMB-UHFFFAOYSA-N -1 0 315.351 -0.040 20 0 DBADRM CCCn1ncnc1CN1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424265331 393636016 /nfs/dbraw/zinc/63/60/16/393636016.db2.gz VEUYIRGXWNTICV-MRVPVSSYSA-N -1 0 307.314 -0.546 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424253737 393636103 /nfs/dbraw/zinc/63/61/03/393636103.db2.gz KWUFBALXQIUAQE-MWLCHTKSSA-N -1 0 306.384 -0.020 20 0 DBADRM CCC(CC)(CNC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)[O-] ZINC000424255875 393636289 /nfs/dbraw/zinc/63/62/89/393636289.db2.gz VAPWXOGDFCGUOC-UHFFFAOYSA-N -1 0 313.310 -0.586 20 0 DBADRM Cc1noc(C)c1C(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424234119 393636295 /nfs/dbraw/zinc/63/62/95/393636295.db2.gz DNNNCZJGEFDOLA-ZETCQYMHSA-N -1 0 307.266 -0.302 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1ccco1 ZINC000424383208 393637677 /nfs/dbraw/zinc/63/76/77/393637677.db2.gz ASRWSRURLNGDRK-ZCFIWIBFSA-N -1 0 314.279 -0.766 20 0 DBADRM CC(C)(C)CS(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424391041 393638491 /nfs/dbraw/zinc/63/84/91/393638491.db2.gz MCXSSQROVCVZOT-ZETCQYMHSA-N -1 0 318.355 -0.372 20 0 DBADRM CCC(CC)(CNC(=O)NCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000424414438 393639394 /nfs/dbraw/zinc/63/93/94/393639394.db2.gz SBMOCMFMPRJKAD-UHFFFAOYSA-N -1 0 314.342 -0.272 20 0 DBADRM CSC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424410942 393639457 /nfs/dbraw/zinc/63/94/57/393639457.db2.gz NXDCLSYJSXVWDY-YUMQZZPRSA-N -1 0 310.397 -0.369 20 0 DBADRM CC(C)(CCNC(=O)NCCCn1cc(CO)nn1)C(=O)[O-] ZINC000424409546 393639680 /nfs/dbraw/zinc/63/96/80/393639680.db2.gz XIYFLUNDZDZMSN-UHFFFAOYSA-N -1 0 313.358 -0.039 20 0 DBADRM CC(C)(CCNC(=O)N1CCC[C@H]1CS(N)(=O)=O)C(=O)[O-] ZINC000424408847 393639991 /nfs/dbraw/zinc/63/99/91/393639991.db2.gz WGMKOUZBQXRKDF-VIFPVBQESA-N -1 0 321.399 -0.050 20 0 DBADRM CS[C@@H](C)CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424446802 393640326 /nfs/dbraw/zinc/64/03/26/393640326.db2.gz HDEJNQKYXCMQDB-YUMQZZPRSA-N -1 0 310.397 -0.369 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424467364 393640487 /nfs/dbraw/zinc/64/04/87/393640487.db2.gz MSQCPKBAYTWQFK-UHFFFAOYSA-N -1 0 302.327 -0.327 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424475171 393642324 /nfs/dbraw/zinc/64/23/24/393642324.db2.gz BHTKMSFGTXHILP-SECBINFHSA-N -1 0 313.354 -0.707 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C[C@H](CO)O1 ZINC000424475589 393642852 /nfs/dbraw/zinc/64/28/52/393642852.db2.gz BXLMRJXONWIFLR-NXEZZACHSA-N -1 0 316.354 -0.788 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1)C(=O)[O-] ZINC000424479356 393643697 /nfs/dbraw/zinc/64/36/97/393643697.db2.gz DUVXLWNWVNSNFB-GARJFASQSA-N -1 0 312.366 -0.167 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CC[C@](C)(C(N)=O)C1)C(=O)[O-] ZINC000424479283 393643748 /nfs/dbraw/zinc/64/37/48/393643748.db2.gz DRSLWBMLVNEPBJ-AWEZNQCLSA-N -1 0 313.354 -0.673 20 0 DBADRM COc1ccnc(CNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000424479285 393644205 /nfs/dbraw/zinc/64/42/05/393644205.db2.gz DSHWUWFVYOEZPI-AWEZNQCLSA-N -1 0 322.321 -0.575 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CCO[C@@H](CF)C1)C(=O)[O-] ZINC000424486097 393644228 /nfs/dbraw/zinc/64/42/28/393644228.db2.gz HIXKSMJOQWZEDV-VIFPVBQESA-N -1 0 304.318 -0.200 20 0 DBADRM COc1ccnc(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC000424489266 393645014 /nfs/dbraw/zinc/64/50/14/393645014.db2.gz PRJQRYWYGNPJIZ-UHFFFAOYSA-N -1 0 322.321 -0.575 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424517772 393645032 /nfs/dbraw/zinc/64/50/32/393645032.db2.gz LTNUCDPTASYCJY-UHFFFAOYSA-N -1 0 310.354 -0.075 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N[C@H](C)C[S@@](C)=O)C(=O)[O-] ZINC000424487603 393645068 /nfs/dbraw/zinc/64/50/68/393645068.db2.gz KIKALASYQXIUKY-AOUSDQRYSA-N -1 0 320.411 -0.123 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424487640 393645155 /nfs/dbraw/zinc/64/51/55/393645155.db2.gz KMMCVWAXTJXPNT-ZPWHCFADSA-N -1 0 306.384 -0.513 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424487639 393645233 /nfs/dbraw/zinc/64/52/33/393645233.db2.gz KMMCVWAXTJXPNT-SQFXPLBJSA-N -1 0 306.384 -0.513 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCCc1cnn(C)c1)C(=O)[O-] ZINC000424515204 393645240 /nfs/dbraw/zinc/64/52/40/393645240.db2.gz HVEFCSUQWPANLS-LBPRGKRZSA-N -1 0 324.381 -0.058 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1C[C@H](O)C[C@@H]1CO ZINC000613090637 393651174 /nfs/dbraw/zinc/65/11/74/393651174.db2.gz HKSMQYOQGXBDOB-GHMZBOCLSA-N -1 0 305.290 -0.402 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1C[C@@H](O)C[C@@H]1CO ZINC000613090638 393651537 /nfs/dbraw/zinc/65/15/37/393651537.db2.gz HKSMQYOQGXBDOB-MNOVXSKESA-N -1 0 305.290 -0.402 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N(C)Cc2nnnn2C)c1 ZINC000424715309 393652304 /nfs/dbraw/zinc/65/23/04/393652304.db2.gz DORRPCFQGJBJAF-JOCHJYFZSA-N -1 0 323.378 -0.015 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N2C[C@H](O)C[C@@H]2CO)c1 ZINC000424756289 393653533 /nfs/dbraw/zinc/65/35/33/393653533.db2.gz SKLQOMOTWSRTPC-OIAVYIFSSA-N -1 0 313.375 -0.243 20 0 DBADRM COCCc1nc(=NCCN2CCN(C(C)=O)CC2)s[n-]1 ZINC000426574382 393670431 /nfs/dbraw/zinc/67/04/31/393670431.db2.gz XFOSDIQXQQIXTR-UHFFFAOYSA-N -1 0 313.427 -0.275 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCCOC[C@H]1CCCO1 ZINC000645945987 393736037 /nfs/dbraw/zinc/73/60/37/393736037.db2.gz YBKCHEBQYKLFEU-LLVKDONJSA-N -1 0 324.399 -0.187 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000645964378 393736395 /nfs/dbraw/zinc/73/63/95/393736395.db2.gz HGVSRYGCEFTGET-SNVBAGLBSA-N -1 0 317.371 -0.434 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCOC[C@H]1CCOC1 ZINC000645964676 393736712 /nfs/dbraw/zinc/73/67/12/393736712.db2.gz FOOVLWHMCOVCQB-JTQLQIEISA-N -1 0 310.372 -0.720 20 0 DBADRM COCCOC1CN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C1 ZINC000645983920 393737601 /nfs/dbraw/zinc/73/76/01/393737601.db2.gz DXMFHCDZXGUNMA-SNVBAGLBSA-N -1 0 308.356 -0.873 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@@]2(CCOC2)O1 ZINC000645991490 393738902 /nfs/dbraw/zinc/73/89/02/393738902.db2.gz PYJQKBSNFPHIKH-CMPLNLGQSA-N -1 0 322.383 -0.483 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N(CC(=O)[O-])CC1CC1 ZINC000646005853 393739986 /nfs/dbraw/zinc/73/99/86/393739986.db2.gz DRXQJDOJKRGRJA-UHFFFAOYSA-N -1 0 313.397 -0.453 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N(CC(=O)[O-])CC1CC1 ZINC000646005893 393740185 /nfs/dbraw/zinc/74/01/85/393740185.db2.gz HNGSKBDDZZNKFP-UHFFFAOYSA-N -1 0 324.399 -0.377 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)NC1(CC(=O)[O-])CCC1 ZINC000646018444 393741067 /nfs/dbraw/zinc/74/10/67/393741067.db2.gz MRSYMBPRPCVODS-UHFFFAOYSA-N -1 0 313.397 -0.262 20 0 DBADRM Cn1nncc1S(=O)(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000646013768 393741086 /nfs/dbraw/zinc/74/10/86/393741086.db2.gz VYDLMSPBESWIJG-SECBINFHSA-N -1 0 318.355 -0.541 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)N1CCOC(C)(C)C1 ZINC000646029759 393742086 /nfs/dbraw/zinc/74/20/86/393742086.db2.gz HSIUKJVFMBPTSK-GFCCVEGCSA-N -1 0 324.399 -0.189 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@@](C)(COC)C(=O)[O-])cn1 ZINC000646029162 393742150 /nfs/dbraw/zinc/74/21/50/393742150.db2.gz BBEXDNPFQAPAGW-NSHDSACASA-N -1 0 321.355 -0.703 20 0 DBADRM COc1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cn1 ZINC000646042452 393743064 /nfs/dbraw/zinc/74/30/64/393743064.db2.gz YOHZIYSVZWRJML-SECBINFHSA-N -1 0 316.335 -0.046 20 0 DBADRM Cn1nncc1S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000646043394 393743823 /nfs/dbraw/zinc/74/38/23/393743823.db2.gz SKBIGFRKSIXUOR-QXFUBDJGSA-N -1 0 300.340 -0.311 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cnnn2C)C1 ZINC000646044537 393743919 /nfs/dbraw/zinc/74/39/19/393743919.db2.gz GOTFUHIZRSBDOO-NSHDSACASA-N -1 0 318.355 -0.683 20 0 DBADRM Cn1cnc(CCCNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC000646057160 393746574 /nfs/dbraw/zinc/74/65/74/393746574.db2.gz XXTTXFDLHKHCGD-UHFFFAOYSA-N -1 0 313.339 -0.248 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)C[C@H]1C(=O)[O-] ZINC000646154720 393755447 /nfs/dbraw/zinc/75/54/47/393755447.db2.gz CCDWUFBZIZMAQV-NXEZZACHSA-N -1 0 323.353 -0.108 20 0 DBADRM CC(C)(C)N1CC[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C1=O ZINC000646165991 393755578 /nfs/dbraw/zinc/75/55/78/393755578.db2.gz KXJMVDIYKYXPSU-UWVGGRQHSA-N -1 0 313.354 -0.119 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000646175158 393756132 /nfs/dbraw/zinc/75/61/32/393756132.db2.gz MFFOYKZNWAWBJZ-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000646178104 393756294 /nfs/dbraw/zinc/75/62/94/393756294.db2.gz ZDCXUOGRGNIMHT-VGMNWLOBSA-N -1 0 310.310 -0.815 20 0 DBADRM C[C@@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000429902097 393700149 /nfs/dbraw/zinc/70/01/49/393700149.db2.gz KXNQRMAOUSUPQQ-SFYZADRCSA-N -1 0 302.356 -0.021 20 0 DBADRM Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)c2c(=O)[nH]n(C)c2n1 ZINC000443508321 393717330 /nfs/dbraw/zinc/71/73/30/393717330.db2.gz DJDWFEKVSSFJIX-UHFFFAOYSA-N -1 0 303.282 -0.264 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000490948496 393797987 /nfs/dbraw/zinc/79/79/87/393797987.db2.gz RFSQYVKSINXRDD-SECBINFHSA-N -1 0 308.356 -0.300 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)OC)C1 ZINC000491488496 393815586 /nfs/dbraw/zinc/81/55/86/393815586.db2.gz MYUQIHCITQSOMU-ZJUUUORDSA-N -1 0 322.383 -0.054 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000275324754 292033266 /nfs/dbraw/zinc/03/32/66/292033266.db2.gz PSLOHCUJMXQEKH-SFYZADRCSA-N -1 0 319.291 -0.725 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)C1 ZINC000263552821 285608669 /nfs/dbraw/zinc/60/86/69/285608669.db2.gz MEFFXLIPAGAVHP-KXUCPTDWSA-N -1 0 318.395 -0.117 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)CC1 ZINC000451568972 285693271 /nfs/dbraw/zinc/69/32/71/285693271.db2.gz SAONKTMRFKWARA-QMMMGPOBSA-N -1 0 311.331 -0.097 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000040393665 285870550 /nfs/dbraw/zinc/87/05/50/285870550.db2.gz PRZZMJVFJOFIHN-UWVGGRQHSA-N -1 0 320.367 -0.192 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])[C@@H]1OC ZINC000420549838 286338440 /nfs/dbraw/zinc/33/84/40/286338440.db2.gz CBCMJQDNGKPIRF-NGZCFLSTSA-N -1 0 302.327 -0.772 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000263441806 292370056 /nfs/dbraw/zinc/37/00/56/292370056.db2.gz MMJYCTIMKOBTDA-LBPRGKRZSA-N -1 0 322.383 -0.592 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000263161986 286648863 /nfs/dbraw/zinc/64/88/63/286648863.db2.gz YCEPZBAANHPSJP-VHSXEESVSA-N -1 0 306.384 -0.020 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000262976840 286649507 /nfs/dbraw/zinc/64/95/07/286649507.db2.gz NAYJVXITIIZDMW-JBLDHEPKSA-N -1 0 318.395 -0.020 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H](OC)C(=O)[O-])C1 ZINC000263100876 286664894 /nfs/dbraw/zinc/66/48/94/286664894.db2.gz OFXOADZYTIBRCX-UWVGGRQHSA-N -1 0 322.383 -0.736 20 0 DBADRM CC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(N)=O ZINC000357697048 286917960 /nfs/dbraw/zinc/91/79/60/286917960.db2.gz HQXHPWKQFHOGIR-RXMQYKEDSA-N -1 0 307.353 -0.528 20 0 DBADRM CC(C)(C)n1nnc(CNC(=O)CSc2n[nH]c(=O)[n-]2)n1 ZINC000655251339 411639512 /nfs/dbraw/zinc/63/95/12/411639512.db2.gz RHKCPWYSDGQLAE-UHFFFAOYSA-N -1 0 312.359 -0.340 20 0 DBADRM COc1ccccc1N1C(=O)C[C@H](NCc2nnn[n-]2)C1=O ZINC000653285374 411703927 /nfs/dbraw/zinc/70/39/27/411703927.db2.gz MTMQVSIIHPZEJK-QMMMGPOBSA-N -1 0 302.294 -0.370 20 0 DBADRM COc1ccc(N2C(=O)C[C@H](NCc3nnn[n-]3)C2=O)cn1 ZINC000653285440 411704613 /nfs/dbraw/zinc/70/46/13/411704613.db2.gz ONSUDGUQWPPBRD-QMMMGPOBSA-N -1 0 303.282 -0.975 20 0 DBADRM CC(C)[C@H](NC(=O)CC1(n2cnnn2)CCOCC1)C(=O)[O-] ZINC000659117242 411707036 /nfs/dbraw/zinc/70/70/36/411707036.db2.gz XBFLONXPFUAXLH-NSHDSACASA-N -1 0 311.342 -0.206 20 0 DBADRM CC[C@@](C)(NC(=O)CC1(n2cnnn2)CCOCC1)C(=O)[O-] ZINC000659123972 411709159 /nfs/dbraw/zinc/70/91/59/411709159.db2.gz ACDHFHABFMKMCM-GFCCVEGCSA-N -1 0 311.342 -0.062 20 0 DBADRM O=C([O-])C1(CNC(=O)C2(n3cnnn3)CCOCC2)CCC1 ZINC000659136283 411712315 /nfs/dbraw/zinc/71/23/15/411712315.db2.gz UMWNKWHLTANDLI-UHFFFAOYSA-N -1 0 309.326 -0.450 20 0 DBADRM O=C([O-])C1(CNC(=O)C2(n3cnnn3)CCOCC2)CCCC1 ZINC000659135346 411712645 /nfs/dbraw/zinc/71/26/45/411712645.db2.gz CKCICUMHXKFNLQ-UHFFFAOYSA-N -1 0 323.353 -0.060 20 0 DBADRM NC(=O)CCn1ccc(=NC(=O)[C@]2(C(=O)[O-])CC=CCC2)[nH]1 ZINC000653296855 411714007 /nfs/dbraw/zinc/71/40/07/411714007.db2.gz BTORKSJAUQKXDX-AWEZNQCLSA-N -1 0 306.322 -0.070 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)N(C)CCC(=O)[O-])[C@@H]1CCO ZINC000662913708 411657733 /nfs/dbraw/zinc/65/77/33/411657733.db2.gz BAGCLWPUNASBCV-WDEREUQCSA-N -1 0 300.355 -0.071 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCCCC(=O)N(C)C)C1 ZINC000390063369 411663202 /nfs/dbraw/zinc/66/32/02/411663202.db2.gz BTJUJAZAYOFFJB-CQSZACIVSA-N -1 0 315.370 -0.013 20 0 DBADRM COCC(=O)N(C)CC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000663128253 411669925 /nfs/dbraw/zinc/66/99/25/411669925.db2.gz IIXYOKVUYUOJDF-UHFFFAOYSA-N -1 0 312.326 -0.254 20 0 DBADRM O=C([O-])CN(CC1CC1)C(=O)C1(n2cnnn2)CCOCC1 ZINC000663118283 411670525 /nfs/dbraw/zinc/67/05/25/411670525.db2.gz CHUZDMKIPWTHHY-UHFFFAOYSA-N -1 0 309.326 -0.498 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C1(C(=O)[O-])CC=CC1 ZINC000663126980 411670620 /nfs/dbraw/zinc/67/06/20/411670620.db2.gz FCPNAVWSHYTEIU-RKDXNWHRSA-N -1 0 303.336 -0.664 20 0 DBADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(F)c1 ZINC000036969489 411671575 /nfs/dbraw/zinc/67/15/75/411671575.db2.gz ISIXWFGPPVALLN-SECBINFHSA-N -1 0 320.298 -0.492 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])CC1 ZINC000037828083 411680065 /nfs/dbraw/zinc/68/00/65/411680065.db2.gz SJSNHHCOYYZTGK-QWRGUYRKSA-N -1 0 316.379 -0.243 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1=O ZINC000659054636 411687362 /nfs/dbraw/zinc/68/73/62/411687362.db2.gz QSZYVAWTWMNOQW-ZETCQYMHSA-N -1 0 306.278 -0.935 20 0 DBADRM C[C@@]1(C(N)=O)CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659057293 411687880 /nfs/dbraw/zinc/68/78/80/411687880.db2.gz BLLATGALYKTURQ-CQSZACIVSA-N -1 0 320.305 -0.558 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CC[C@](C)(O)C2)n1 ZINC000659054379 411688014 /nfs/dbraw/zinc/68/80/14/411688014.db2.gz PJPFIRVIJACLNR-AWEZNQCLSA-N -1 0 324.337 -0.375 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1)C(=O)[O-] ZINC000659062437 411688688 /nfs/dbraw/zinc/68/86/88/411688688.db2.gz IDBNVFXXSVVJMH-MRVPVSSYSA-N -1 0 305.290 -0.049 20 0 DBADRM CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000659063118 411688995 /nfs/dbraw/zinc/68/89/95/411688995.db2.gz RGLMWZQQGQKYNH-MRVPVSSYSA-N -1 0 307.306 -0.036 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@H]2CC(=O)N(C3CC3)C2)[n-]n1 ZINC000650815632 411691122 /nfs/dbraw/zinc/69/11/22/411691122.db2.gz YDQFKDUYQPECAJ-QMMMGPOBSA-N -1 0 303.322 -0.793 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@H](NC(C)=O)C2CCCC2)[n-]n1 ZINC000650815582 411691213 /nfs/dbraw/zinc/69/12/13/411691213.db2.gz WQHDOARSXQQYGN-ZDUSSCGKSA-N -1 0 319.365 -0.109 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@H]2CCCCN2C(C)=O)[n-]n1 ZINC000650816516 411691227 /nfs/dbraw/zinc/69/12/27/411691227.db2.gz YPTVJMWSTPVHDM-LLVKDONJSA-N -1 0 305.338 -0.402 20 0 DBADRM CCN(CC)C(=O)CCC(=O)N=c1ccc(C(=O)NC)n[n-]1 ZINC000650817681 411691441 /nfs/dbraw/zinc/69/14/41/411691441.db2.gz KIJLXOSDNDLUAR-UHFFFAOYSA-N -1 0 307.354 -0.155 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)C[C@@H]2CCOC[C@@H]2OC)[n-]n1 ZINC000650819305 411691506 /nfs/dbraw/zinc/69/15/06/411691506.db2.gz PWMXQQUEAUKPLQ-ONGXEEELSA-N -1 0 308.338 -0.362 20 0 DBADRM CCn1ccc(CC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])n1 ZINC000653278194 411701601 /nfs/dbraw/zinc/70/16/01/411701601.db2.gz GUVCLQSAWUTHCS-JTQLQIEISA-N -1 0 310.354 -0.117 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)[O-] ZINC000653278210 411702032 /nfs/dbraw/zinc/70/20/32/411702032.db2.gz IIOAKFKGJUUXLE-CABZTGNLSA-N -1 0 310.354 -0.003 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)Cn1nc2ccccn2c1=O ZINC000653316039 411737901 /nfs/dbraw/zinc/73/79/01/411737901.db2.gz YHESJPCHEUELQO-NXEZZACHSA-N -1 0 304.306 -0.040 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccnc(S(N)(=O)=O)c1 ZINC000653318802 411738864 /nfs/dbraw/zinc/73/88/64/411738864.db2.gz ZVSXOYBLBJYACE-VXNVDRBHSA-N -1 0 313.335 -0.193 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000653318276 411738908 /nfs/dbraw/zinc/73/89/08/411738908.db2.gz DBGHCNAJXZUYEG-GMSGAONNSA-N -1 0 317.305 -0.094 20 0 DBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000651431487 411742691 /nfs/dbraw/zinc/74/26/91/411742691.db2.gz FGMGRHHNRMNYFG-UHFFFAOYSA-N -1 0 313.358 -0.164 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)[C@H]2CCS(=O)(=O)N2)cc1 ZINC000652051165 411752779 /nfs/dbraw/zinc/75/27/79/411752779.db2.gz WIUWXCAQGYFEOL-LLVKDONJSA-N -1 0 312.347 -0.265 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(-n2nnnc2C)cc1)C(=O)[O-] ZINC000652069556 411753587 /nfs/dbraw/zinc/75/35/87/411753587.db2.gz QEOHYTJKMLZMTC-LLVKDONJSA-N -1 0 305.294 -0.200 20 0 DBADRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652069254 411753785 /nfs/dbraw/zinc/75/37/85/411753785.db2.gz DOGZKSRCQOXYKM-RFZPGFLSSA-N -1 0 304.246 -0.800 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)[C@H]2CCS(=O)(=O)N2)s1 ZINC000652073371 411753788 /nfs/dbraw/zinc/75/37/88/411753788.db2.gz CJMOHNRPJJKJDY-SSDOTTSWSA-N -1 0 304.349 -0.246 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652069591 411753838 /nfs/dbraw/zinc/75/38/38/411753838.db2.gz RNMLBRLAPJMREB-JXUBOQSCSA-N -1 0 302.352 -0.610 20 0 DBADRM Cc1oc(CN(C)C(=O)[C@H]2CCS(=O)(=O)N2)cc1C(=O)[O-] ZINC000652058187 411753933 /nfs/dbraw/zinc/75/39/33/411753933.db2.gz MITRKDPBRUOJEN-SNVBAGLBSA-N -1 0 316.335 -0.064 20 0 DBADRM O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652054427 411754003 /nfs/dbraw/zinc/75/40/03/411754003.db2.gz BRGBURMRVPWCNE-NSHDSACASA-N -1 0 312.347 -0.209 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)c1ccccc1 ZINC000652060896 411754125 /nfs/dbraw/zinc/75/41/25/411754125.db2.gz LCVZDXKUDUBBJC-GHMZBOCLSA-N -1 0 312.347 -0.337 20 0 DBADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652066263 411754383 /nfs/dbraw/zinc/75/43/83/411754383.db2.gz DSKUQVITPNAYMX-VHSXEESVSA-N -1 0 304.368 -0.076 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N(C)C[C@H]2CCC[C@H]2O)[n-]1 ZINC000651637635 411766327 /nfs/dbraw/zinc/76/63/27/411766327.db2.gz XRCYAUKZRRXGDA-GHMZBOCLSA-N -1 0 309.370 -0.161 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCCC[C@H]2CCO)[n-]1 ZINC000651684397 411769623 /nfs/dbraw/zinc/76/96/23/411769623.db2.gz LUUAKZBETVIZHQ-NSHDSACASA-N -1 0 309.370 -0.017 20 0 DBADRM CNC(=O)[C@H](CC(C)C)NC(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651716753 411770392 /nfs/dbraw/zinc/77/03/92/411770392.db2.gz HJAQJZLTPLQZDL-JTQLQIEISA-N -1 0 324.385 -0.504 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCOC[C@@H]2C2CC2)[n-]1 ZINC000651719631 411770848 /nfs/dbraw/zinc/77/08/48/411770848.db2.gz ZTVPWQWLNUOEDR-LLVKDONJSA-N -1 0 307.354 -0.143 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1nc2n(c1=O)CCCC2)c1nnn[n-]1 ZINC000651720820 411771003 /nfs/dbraw/zinc/77/10/03/411771003.db2.gz LLFWKKUITCDMKY-SECBINFHSA-N -1 0 320.357 -0.844 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H](CO)C2CCCC2)[n-]1 ZINC000651814925 411778204 /nfs/dbraw/zinc/77/82/04/411778204.db2.gz PZMUIMWZTWTBCV-NSHDSACASA-N -1 0 309.370 -0.113 20 0 DBADRM C[C@](O)(CN1CCc2ccc(S(N)(=O)=O)cc21)C(=O)[O-] ZINC000652414353 411799660 /nfs/dbraw/zinc/79/96/60/411799660.db2.gz VLHZTHWWHFPIBW-LBPRGKRZSA-N -1 0 300.336 -0.468 20 0 DBADRM COCCN(CC(=O)[O-])CC(=O)NC(=O)NC1CCCC1 ZINC000049607472 411799669 /nfs/dbraw/zinc/79/96/69/411799669.db2.gz NOEZWDONKROBJY-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(Cc2nnnn2CC(F)(F)F)C1 ZINC000652477314 411803484 /nfs/dbraw/zinc/80/34/84/411803484.db2.gz QCYOLTWMFMHKBI-RNFRBKRXSA-N -1 0 309.248 -0.091 20 0 DBADRM Cc1cnc(C)c(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000652616175 411807343 /nfs/dbraw/zinc/80/73/43/411807343.db2.gz AODVTBXTJDHIQN-LLVKDONJSA-N -1 0 307.306 -0.051 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530150030 411807584 /nfs/dbraw/zinc/80/75/84/411807584.db2.gz KTKDDUGMVFCLIG-VDTYLAMSSA-N -1 0 305.312 -0.572 20 0 DBADRM Cc1nc(=NC(=O)C(=O)N[C@H]2CNc3ccccc3C2)[n-]n1C ZINC000652637325 411808818 /nfs/dbraw/zinc/80/88/18/411808818.db2.gz QXPHLSBAKWPFAI-LLVKDONJSA-N -1 0 314.349 -0.363 20 0 DBADRM CCN(C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@H]1CCCOC1 ZINC000652661839 411810266 /nfs/dbraw/zinc/81/02/66/411810266.db2.gz AIWCJBLYWSJZJH-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCCN2CCCC2=O)C1 ZINC000652655180 411810361 /nfs/dbraw/zinc/81/03/61/411810361.db2.gz ZQOBMSRTFIPORG-ZJUUUORDSA-N -1 0 311.338 -0.906 20 0 DBADRM Cn1cc(CNC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)nn1 ZINC000652655481 411810434 /nfs/dbraw/zinc/81/04/34/411810434.db2.gz FZWCKQVQHVMMGY-SECBINFHSA-N -1 0 309.326 -0.855 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000653336556 411811945 /nfs/dbraw/zinc/81/19/45/411811945.db2.gz HDSNYJXLHRYKSK-MNOVXSKESA-N -1 0 313.354 -0.565 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000653340703 411814328 /nfs/dbraw/zinc/81/43/28/411814328.db2.gz OVPZRDTZYBVXFL-VIFPVBQESA-N -1 0 318.355 -0.980 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000653343374 411816795 /nfs/dbraw/zinc/81/67/95/411816795.db2.gz UBIUIUFOURKAAZ-VIFPVBQESA-N -1 0 320.305 -0.031 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCc2nccn2C1)[C@@H](C)C(=O)[O-] ZINC000655540202 411816845 /nfs/dbraw/zinc/81/68/45/411816845.db2.gz XEWHUIYSIHIXGH-JQWIXIFHSA-N -1 0 322.365 -0.117 20 0 DBADRM O=C(NC[C@]1(CO)CCc2ccccc21)c1n[nH]c(=O)[n-]c1=O ZINC000652704206 411819827 /nfs/dbraw/zinc/81/98/27/411819827.db2.gz HKZAOGLGXRETMT-HNNXBMFYSA-N -1 0 316.317 -0.111 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@@H](C(=O)[O-])C1 ZINC000659221310 411825175 /nfs/dbraw/zinc/82/51/75/411825175.db2.gz LHKHQWMYCFCJGJ-BBBLOLIVSA-N -1 0 320.367 -0.889 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC000659228023 411827003 /nfs/dbraw/zinc/82/70/03/411827003.db2.gz OEZMJMUBACWNFQ-UHFFFAOYSA-N -1 0 313.335 -0.128 20 0 DBADRM NC(=O)[C@]1(NS(=O)(=O)c2cc(C(=O)[O-])cs2)CCOC1 ZINC000653486786 411866421 /nfs/dbraw/zinc/86/64/21/411866421.db2.gz SFSLISWKFPMDST-JTQLQIEISA-N -1 0 320.348 -0.631 20 0 DBADRM C[C@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000655562324 411834649 /nfs/dbraw/zinc/83/46/49/411834649.db2.gz XAOOECNGXDWTOA-SSDOTTSWSA-N -1 0 322.321 -0.974 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655564401 411834980 /nfs/dbraw/zinc/83/49/80/411834980.db2.gz FYZLPCUUQACRCN-JTQLQIEISA-N -1 0 324.399 -0.585 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000659243299 411835696 /nfs/dbraw/zinc/83/56/96/411835696.db2.gz AKJUBHWFMYXVOR-GUBZILKMSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580662 411836333 /nfs/dbraw/zinc/83/63/33/411836333.db2.gz QUCSDENFEDUFEA-HRDYMLBCSA-N -1 0 323.353 -0.371 20 0 DBADRM CN(CC(=O)N[C@H](Cc1ccncc1)C(=O)[O-])S(C)(=O)=O ZINC000655599124 411836716 /nfs/dbraw/zinc/83/67/16/411836716.db2.gz JZNIGOMLLCFXBY-SNVBAGLBSA-N -1 0 315.351 -0.915 20 0 DBADRM CCN1CCN(CC(=O)N(CC(=O)[O-])C2CCC2)C(=O)C1=O ZINC000655593174 411836805 /nfs/dbraw/zinc/83/68/05/411836805.db2.gz ZCXRSVMGCISCRJ-UHFFFAOYSA-N -1 0 311.338 -0.857 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCO[C@@H]1CC1(F)F)C(=O)[O-] ZINC000659662438 411858966 /nfs/dbraw/zinc/85/89/66/411858966.db2.gz SQPMMMGQGGHPTB-DTWKUNHWSA-N -1 0 322.308 0.000 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])CS1(=O)=O ZINC000659666317 411859611 /nfs/dbraw/zinc/85/96/11/411859611.db2.gz XGUYSYKCKQJVMD-IUCAKERBSA-N -1 0 320.367 -0.999 20 0 DBADRM CC1(CO)CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000659669594 411860134 /nfs/dbraw/zinc/86/01/34/411860134.db2.gz ABXSIYCPOZWKHK-UHFFFAOYSA-N -1 0 312.366 -0.022 20 0 DBADRM COc1cccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000124098945 411887958 /nfs/dbraw/zinc/88/79/58/411887958.db2.gz YXDLASLJUXLZIS-VIFPVBQESA-N -1 0 302.308 -0.698 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CCN1S(C)(=O)=O ZINC000659198794 411896700 /nfs/dbraw/zinc/89/67/00/411896700.db2.gz NURXJSQOKYLCOC-KXUCPTDWSA-N -1 0 320.367 -0.889 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000653536943 411877450 /nfs/dbraw/zinc/87/74/50/411877450.db2.gz ANIILGYTZSUYJE-UHFFFAOYSA-N -1 0 307.368 -0.098 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000400227222 411883469 /nfs/dbraw/zinc/88/34/69/411883469.db2.gz PYATZFSKNCJFPK-AEJSXWLSSA-N -1 0 319.383 -0.427 20 0 DBADRM O=C(NCC1CCN(CC(F)F)CC1)c1n[nH]c(=O)[n-]c1=O ZINC000655084734 411968180 /nfs/dbraw/zinc/96/81/80/411968180.db2.gz GCAWRQWBLSMTPY-UHFFFAOYSA-N -1 0 317.296 -0.010 20 0 DBADRM CCn1cc(S(=O)(=O)N(C)CCNC(C)=O)cc1C(=O)[O-] ZINC000308123196 411969982 /nfs/dbraw/zinc/96/99/82/411969982.db2.gz RNQKMWNPFKKNDI-UHFFFAOYSA-N -1 0 317.367 -0.037 20 0 DBADRM C[C@@H](CNC(=O)NCCS(=O)(=O)NCC1CCC1)C(=O)[O-] ZINC000655866355 411974739 /nfs/dbraw/zinc/97/47/39/411974739.db2.gz ARKHVTARCADHLT-VIFPVBQESA-N -1 0 321.399 -0.274 20 0 DBADRM C[C@H](CNC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)C(=O)[O-] ZINC000655886766 411975717 /nfs/dbraw/zinc/97/57/17/411975717.db2.gz HBAMZOGXHYEWFE-SECBINFHSA-N -1 0 321.399 -0.228 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000655886667 411975746 /nfs/dbraw/zinc/97/57/46/411975746.db2.gz DMMKVTXZEIRNMC-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)NC[C@H](C)C(=O)[O-])[C@H](C)C1 ZINC000655881493 411975792 /nfs/dbraw/zinc/97/57/92/411975792.db2.gz NJUURFGTQFATDA-VHSXEESVSA-N -1 0 321.399 -0.228 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CCO1 ZINC000655895461 411975811 /nfs/dbraw/zinc/97/58/11/411975811.db2.gz SZQADUHUPMMWDF-VHSXEESVSA-N -1 0 301.343 -0.500 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655880995 411975992 /nfs/dbraw/zinc/97/59/92/411975992.db2.gz ZXFHNHDAUYZTIY-NXEZZACHSA-N -1 0 323.415 -0.030 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)C(=O)[O-] ZINC000655895900 411976227 /nfs/dbraw/zinc/97/62/27/411976227.db2.gz HTDUTGZVEHZQCI-DCAQKATOSA-N -1 0 313.354 -0.358 20 0 DBADRM COCCN1CCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1=O ZINC000655893058 411976392 /nfs/dbraw/zinc/97/63/92/411976392.db2.gz AVJDGOIHSDYJTC-LLVKDONJSA-N -1 0 315.370 -0.157 20 0 DBADRM CC(C)[C@H](CNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1)C(=O)[O-] ZINC000655872734 411976399 /nfs/dbraw/zinc/97/63/99/411976399.db2.gz PJWPZVOEPGEIJJ-KXUCPTDWSA-N -1 0 301.343 -0.325 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CCC[C@H]1CS(N)(=O)=O)C(=O)[O-] ZINC000655898376 411978471 /nfs/dbraw/zinc/97/84/71/411978471.db2.gz VGQGFTGDDGGBPS-UWVGGRQHSA-N -1 0 321.399 -0.194 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1cc(N(C)C)ncn1)C(=O)[O-] ZINC000655945890 411979643 /nfs/dbraw/zinc/97/96/43/411979643.db2.gz FFUARAHEJYBELY-SECBINFHSA-N -1 0 323.353 -0.046 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)ncn1 ZINC000655948354 411980135 /nfs/dbraw/zinc/98/01/35/411980135.db2.gz WILSPZOEZTVXNM-MRVPVSSYSA-N -1 0 310.310 -0.103 20 0 DBADRM Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655942274 411980226 /nfs/dbraw/zinc/98/02/26/411980226.db2.gz LLYHDCAUBAHVJD-MRVPVSSYSA-N -1 0 307.306 -0.131 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC000655943410 411980648 /nfs/dbraw/zinc/98/06/48/411980648.db2.gz OAXNDESTJNWGJL-ZETCQYMHSA-N -1 0 321.289 -0.207 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)nn1C ZINC000655948491 411980781 /nfs/dbraw/zinc/98/07/81/411980781.db2.gz YIFQXZUQVOTARR-MRVPVSSYSA-N -1 0 312.326 -0.160 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCOCC(F)(F)F)C(=O)[O-] ZINC000655977718 411981317 /nfs/dbraw/zinc/98/13/17/411981317.db2.gz JKPZGCFIMGXBOT-ZCFIWIBFSA-N -1 0 300.233 -0.482 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000655981268 411981464 /nfs/dbraw/zinc/98/14/64/411981464.db2.gz YHCKDYIQXZLXHK-VIFPVBQESA-N -1 0 321.333 -0.501 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCOCC(F)(F)F)C(=O)[O-] ZINC000655977717 411981470 /nfs/dbraw/zinc/98/14/70/411981470.db2.gz JKPZGCFIMGXBOT-LURJTMIESA-N -1 0 300.233 -0.482 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)n1 ZINC000655982627 411981504 /nfs/dbraw/zinc/98/15/04/411981504.db2.gz YAQVZPUHAIPEOE-NSHDSACASA-N -1 0 308.338 -0.126 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCC(=O)N1CCCCC1)C(=O)[O-] ZINC000655979491 411981620 /nfs/dbraw/zinc/98/16/20/411981620.db2.gz FZLXIRFOYDNKHL-SNVBAGLBSA-N -1 0 313.354 -0.658 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCc1cn2c(n1)CCCC2)C(=O)[O-] ZINC000655982524 411982138 /nfs/dbraw/zinc/98/21/38/411982138.db2.gz VZOXODDZIPRTGY-SNVBAGLBSA-N -1 0 322.365 -0.285 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000655984367 411982215 /nfs/dbraw/zinc/98/22/15/411982215.db2.gz OBJHZXJRCBFMFQ-VIFPVBQESA-N -1 0 321.333 -0.719 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655982948 411982423 /nfs/dbraw/zinc/98/24/23/411982423.db2.gz BOMBOEBBTWVXED-NSHDSACASA-N -1 0 310.354 -0.219 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)Cn1cccn1)C(=O)[O-] ZINC000655979645 411982536 /nfs/dbraw/zinc/98/25/36/411982536.db2.gz JSOYTKLKWLBRPV-WDEREUQCSA-N -1 0 310.354 -0.139 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCOC[C@H]1c1ccnn1C)C(=O)[O-] ZINC000656000054 411982859 /nfs/dbraw/zinc/98/28/59/411982859.db2.gz QTMUYHNCEOBMDB-ONGXEEELSA-N -1 0 324.337 -0.843 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCCOC1CCOCC1)C(=O)[O-] ZINC000655991457 411982908 /nfs/dbraw/zinc/98/29/08/411982908.db2.gz VODKSSJKVQOVNA-SNVBAGLBSA-N -1 0 316.354 -0.475 20 0 DBADRM CO[C@@H]1[C@H](C)[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C1(C)C ZINC000655994622 411982933 /nfs/dbraw/zinc/98/29/33/411982933.db2.gz UDYHBSTYKICDFL-QCLAVDOMSA-N -1 0 300.355 -0.001 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000655991512 411983028 /nfs/dbraw/zinc/98/30/28/411983028.db2.gz WTLKBOXNIIOTIW-IUCAKERBSA-N -1 0 301.343 -0.948 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1)C(=O)[O-] ZINC000655996270 411983309 /nfs/dbraw/zinc/98/33/09/411983309.db2.gz PABYQUKMOOXXDH-AEJSXWLSSA-N -1 0 313.354 -0.770 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(=O)[O-] ZINC000655995111 411983318 /nfs/dbraw/zinc/98/33/18/411983318.db2.gz XLNPAOQKYPZZFT-GWOFURMSSA-N -1 0 310.350 -0.103 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCCn1ccnn1)C(=O)[O-] ZINC000655986792 411983326 /nfs/dbraw/zinc/98/33/26/411983326.db2.gz HIAGZGWGWUUEDN-SNVBAGLBSA-N -1 0 311.342 -0.743 20 0 DBADRM CCc1nn(C)c(CC)c1CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655993951 411983486 /nfs/dbraw/zinc/98/34/86/411983486.db2.gz RAOUTLOMVRRAHS-SECBINFHSA-N -1 0 324.381 -0.002 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])[C@@H]1OC ZINC000655994631 411983636 /nfs/dbraw/zinc/98/36/36/411983636.db2.gz UIKNIBZFKLMGLI-RGOKHQFPSA-N -1 0 302.327 -0.868 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1)C(=O)[O-] ZINC000655991539 411983680 /nfs/dbraw/zinc/98/36/80/411983680.db2.gz XRUNOYYELGJUBG-GHMZBOCLSA-N -1 0 320.349 -0.387 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000655996639 411983692 /nfs/dbraw/zinc/98/36/92/411983692.db2.gz DTJAQCUOJLFJSD-QMMMGPOBSA-N -1 0 322.383 -0.847 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCn2ccnc2C1)C(=O)[O-] ZINC000655992609 411983762 /nfs/dbraw/zinc/98/37/62/411983762.db2.gz CFILNCMVENIQIF-QWRGUYRKSA-N -1 0 322.365 -0.213 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC(F)(F)C(F)(F)C1)C(=O)[O-] ZINC000656000009 411983778 /nfs/dbraw/zinc/98/37/78/411983778.db2.gz QCGPMKDQAMDBBB-YFKPBYRVSA-N -1 0 300.208 -0.064 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCOc1ncccc1F)C(=O)[O-] ZINC000655995238 411983979 /nfs/dbraw/zinc/98/39/79/411983979.db2.gz YSDASSJDZQPGSI-MRVPVSSYSA-N -1 0 313.285 -0.447 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)C(=O)[O-] ZINC000656003782 411984481 /nfs/dbraw/zinc/98/44/81/411984481.db2.gz XKNZDCKZIKULJU-GMTAPVOTSA-N -1 0 314.338 -0.770 20 0 DBADRM CC(C)N(C[C@H]1CCC(=O)N1)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655998748 411984484 /nfs/dbraw/zinc/98/44/84/411984484.db2.gz BOKIGPPWLPJVDF-NXEZZACHSA-N -1 0 313.354 -0.661 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@]1(C)CCCO)C(=O)[O-] ZINC000656001486 411984946 /nfs/dbraw/zinc/98/49/46/411984946.db2.gz ITTARPAEDZQDER-IINYFYTJSA-N -1 0 300.355 -0.023 20 0 DBADRM CCn1ccc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)n1 ZINC000655998255 411984966 /nfs/dbraw/zinc/98/49/66/411984966.db2.gz WDRDWLXIDLYNTO-NSHDSACASA-N -1 0 310.354 -0.008 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1)C(=O)[O-] ZINC000656003784 411985045 /nfs/dbraw/zinc/98/50/45/411985045.db2.gz XKNZDCKZIKULJU-MXWKQRLJSA-N -1 0 314.338 -0.770 20 0 DBADRM CC(C)CN1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1=O ZINC000656001492 411985372 /nfs/dbraw/zinc/98/53/72/411985372.db2.gz IXUQQMCCPTVVRT-SNVBAGLBSA-N -1 0 313.354 -0.850 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@@H](Oc2ccncc2)C1)C(=O)[O-] ZINC000655999281 411985566 /nfs/dbraw/zinc/98/55/66/411985566.db2.gz DOZSNSUGZIDDHD-CMPLNLGQSA-N -1 0 321.333 -0.102 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1)C(=O)[O-] ZINC000656001038 411985583 /nfs/dbraw/zinc/98/55/83/411985583.db2.gz YTAQSDGRMXXYDS-NXEZZACHSA-N -1 0 309.326 -0.722 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N(CCCO)Cc1ccccn1)C(=O)[O-] ZINC000656001888 411985689 /nfs/dbraw/zinc/98/56/89/411985689.db2.gz OTZSUSJDJBNSFL-NSHDSACASA-N -1 0 323.349 -0.371 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](CF)C1)C(=O)[O-] ZINC000656008730 411986478 /nfs/dbraw/zinc/98/64/78/411986478.db2.gz YNFXFBIUGCUUIJ-NXEZZACHSA-N -1 0 304.318 -0.344 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1C[C@H](O)C[C@H](C)C1)C(=O)[O-] ZINC000656008749 411986529 /nfs/dbraw/zinc/98/65/29/411986529.db2.gz YVYFAEIOCHCWTI-AXFHLTTASA-N -1 0 300.355 -0.311 20 0 DBADRM COCCO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000656006997 411986580 /nfs/dbraw/zinc/98/65/80/411986580.db2.gz ZXKNBCSCHWSBPB-VHSXEESVSA-N -1 0 302.327 -0.913 20 0 DBADRM COCCOC1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000656004734 411986624 /nfs/dbraw/zinc/98/66/24/411986624.db2.gz QWNKIEJIFLFFDW-JTQLQIEISA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000656007685 411986633 /nfs/dbraw/zinc/98/66/33/411986633.db2.gz LBTJJMQXXSEOJW-IWSPIJDZSA-N -1 0 322.383 -0.897 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1CCO)C(=O)[O-] ZINC000656007784 411986666 /nfs/dbraw/zinc/98/66/66/411986666.db2.gz MUBXHQSFVCZJRJ-MNOVXSKESA-N -1 0 300.355 -0.167 20 0 DBADRM COC[C@H]1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000656009059 411986679 /nfs/dbraw/zinc/98/66/79/411986679.db2.gz QPFVZZHHMCTTEF-QWRGUYRKSA-N -1 0 300.355 -0.046 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000656007684 411986688 /nfs/dbraw/zinc/98/66/88/411986688.db2.gz LBTJJMQXXSEOJW-HRDYMLBCSA-N -1 0 322.383 -0.897 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1)C(=O)[O-] ZINC000656006972 411986724 /nfs/dbraw/zinc/98/67/24/411986724.db2.gz ZNPKEEYSWVGLMO-GHMZBOCLSA-N -1 0 322.365 -0.352 20 0 DBADRM CC(C)NC(=O)CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000656013620 411986748 /nfs/dbraw/zinc/98/67/48/411986748.db2.gz PCZOZHOQUUBXMB-SNVBAGLBSA-N -1 0 315.370 -0.510 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1)C(=O)[O-] ZINC000656006973 411986767 /nfs/dbraw/zinc/98/67/67/411986767.db2.gz ZNPKEEYSWVGLMO-MNOVXSKESA-N -1 0 322.365 -0.352 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCCC[C@H]1O)C(=O)[O-] ZINC000656006957 411986932 /nfs/dbraw/zinc/98/69/32/411986932.db2.gz ZHQICOVAJSUCDY-GMTAPVOTSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCC[C@H]1O)C(=O)[O-] ZINC000656006959 411986944 /nfs/dbraw/zinc/98/69/44/411986944.db2.gz ZHQICOVAJSUCDY-OUAUKWLOSA-N -1 0 300.355 -0.167 20 0 DBADRM CCC(=O)N1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000656007401 411986965 /nfs/dbraw/zinc/98/69/65/411986965.db2.gz FCIGXAMDHQIEFI-JTQLQIEISA-N -1 0 313.354 -0.706 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H](C)O)C1)C(=O)[O-] ZINC000656008296 411987056 /nfs/dbraw/zinc/98/70/56/411987056.db2.gz HVJCBZMTWAAESI-AXFHLTTASA-N -1 0 300.355 -0.311 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656007744 411987069 /nfs/dbraw/zinc/98/70/69/411987069.db2.gz MESLSKSWCROQLU-IUCAKERBSA-N -1 0 322.383 -0.895 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000656010203 411987087 /nfs/dbraw/zinc/98/70/87/411987087.db2.gz AHERAMCXUSPSNT-SECBINFHSA-N -1 0 301.343 -0.946 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCn2cnnc2C1)C(=O)[O-] ZINC000656008216 411987295 /nfs/dbraw/zinc/98/72/95/411987295.db2.gz GCYRORMDANYSNJ-SECBINFHSA-N -1 0 309.326 -0.907 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000656014463 411987393 /nfs/dbraw/zinc/98/73/93/411987393.db2.gz UXLBXHDFHMXXPM-HZMBPMFUSA-N -1 0 300.355 -0.167 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000656014697 411988915 /nfs/dbraw/zinc/98/89/15/411988915.db2.gz ZGTNRJNHLFFBFI-SECBINFHSA-N -1 0 315.370 -0.652 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC(CO)CC1)C(=O)[O-] ZINC000656014871 411989284 /nfs/dbraw/zinc/98/92/84/411989284.db2.gz XAQDLVPDMSVPDI-LLVKDONJSA-N -1 0 300.355 -0.310 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(C)C(=O)[C@@H]1C)C(=O)[O-] ZINC000656012583 411989445 /nfs/dbraw/zinc/98/94/45/411989445.db2.gz GMXOHEXGLCIRPH-UWVGGRQHSA-N -1 0 313.354 -0.852 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](CCF)C(=O)[O-] ZINC000656162103 411997097 /nfs/dbraw/zinc/99/70/97/411997097.db2.gz BSDGOLFHHYWRCC-VIFPVBQESA-N -1 0 316.351 -0.772 20 0 DBADRM CO[C@H](C[C@H](NS(=O)(=O)[C@@H]1CCOC1)C(=O)[O-])C1CC1 ZINC000656167706 411997264 /nfs/dbraw/zinc/99/72/64/411997264.db2.gz AJQJZLJTMYICMG-OUAUKWLOSA-N -1 0 307.368 -0.037 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)NCc1nocc1C(=O)[O-] ZINC000656164586 411997591 /nfs/dbraw/zinc/99/75/91/411997591.db2.gz HRAWSGLYXMNWNE-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM CO[C@@H](C[C@@H](NS(=O)(=O)c1ccnn1C)C(=O)[O-])C1CC1 ZINC000656169079 411999379 /nfs/dbraw/zinc/99/93/79/411999379.db2.gz NRCGAMXWTKVSGF-ZJUUUORDSA-N -1 0 317.367 -0.033 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@H](C)C(=O)[O-] ZINC000656232458 411999613 /nfs/dbraw/zinc/99/96/13/411999613.db2.gz ZSCZTEQEHXFGNV-LURJTMIESA-N -1 0 306.326 -0.297 20 0 DBADRM Cn1ccc(=O)n(CCCNC(=O)CCCCC(=O)[O-])c1=O ZINC000656231488 411999682 /nfs/dbraw/zinc/99/96/82/411999682.db2.gz JVWRMDQDUFHAIC-UHFFFAOYSA-N -1 0 311.338 -0.302 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC000656526395 412007171 /nfs/dbraw/zinc/00/71/71/412007171.db2.gz RJOQLMYXRQCXHO-OUAUKWLOSA-N -1 0 306.384 -0.222 20 0 DBADRM COc1ncc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1Cl ZINC000656528069 412007246 /nfs/dbraw/zinc/00/72/46/412007246.db2.gz NMZZRMRTZVMYRR-SSDOTTSWSA-N -1 0 310.715 -0.533 20 0 DBADRM O=C([O-])[C@@H]1N(S(=O)(=O)N2CCOCC2)CC12CCCC2 ZINC000656526523 412007266 /nfs/dbraw/zinc/00/72/66/412007266.db2.gz PXCGCKXDYBKXBU-JTQLQIEISA-N -1 0 304.368 -0.107 20 0 DBADRM CC12CC(C(=O)[O-])(C1)N(C(=O)N1CCS(=O)(=O)CC1)C2 ZINC000656522784 412007276 /nfs/dbraw/zinc/00/72/76/412007276.db2.gz MDNOGEDICLVPPQ-UHFFFAOYSA-N -1 0 302.352 -0.224 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC2(C)CC1(C(=O)[O-])C2 ZINC000656525518 412007312 /nfs/dbraw/zinc/00/73/12/412007312.db2.gz ZYUXSRKPFLLNIR-RKWZHAFESA-N -1 0 304.368 -0.268 20 0 DBADRM O=C([O-])[C@]1(CC(=O)NCC[C@@]2(O)CCCOC2)CCOC1 ZINC000656483720 412007409 /nfs/dbraw/zinc/00/74/09/412007409.db2.gz DCNVMBBBSUZCMS-KBPBESRZSA-N -1 0 301.339 -0.084 20 0 DBADRM CCC1CCN(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])CC1 ZINC000656510677 412007476 /nfs/dbraw/zinc/00/74/76/412007476.db2.gz SVENPCLOQNEXOH-SNVBAGLBSA-N -1 0 321.399 -0.339 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)N1CCC(OC)CC1 ZINC000656514951 412007547 /nfs/dbraw/zinc/00/75/47/412007547.db2.gz GKHWCVZPPUWQFT-UHFFFAOYSA-N -1 0 310.372 -0.625 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)CCc1ccccc1F ZINC000656508853 412007640 /nfs/dbraw/zinc/00/76/40/412007640.db2.gz CAOPATNIZICKAP-UHFFFAOYSA-N -1 0 318.326 -0.512 20 0 DBADRM COCCOCCS(=O)(=O)N1CC2(C)CC1(C(=O)[O-])C2 ZINC000656523037 412007708 /nfs/dbraw/zinc/00/77/08/412007708.db2.gz SOPQIWLNUAVQMS-UHFFFAOYSA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)N1CCCCC1)C2 ZINC000656562870 412009096 /nfs/dbraw/zinc/00/90/96/412009096.db2.gz WAQAIHPFKRMJET-ZYHUDNBSSA-N -1 0 304.368 -0.250 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656562233 412009357 /nfs/dbraw/zinc/00/93/57/412009357.db2.gz ORTHQBIFBXLQKP-BXKDBHETSA-N -1 0 315.351 -0.252 20 0 DBADRM CO[C@H](CS(=O)(=O)NC[C@](C)(O)C(=O)[O-])C1CCCC1 ZINC000656561819 412009373 /nfs/dbraw/zinc/00/93/73/412009373.db2.gz FHTGPNXILJHQQD-PWSUYJOCSA-N -1 0 309.384 -0.053 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC000656562578 412009384 /nfs/dbraw/zinc/00/93/84/412009384.db2.gz LAZMTKTXUSVNDT-MXWKQRLJSA-N -1 0 307.368 -0.083 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)CC[C@H]1CCCO1)C2 ZINC000656562571 412009702 /nfs/dbraw/zinc/00/97/02/412009702.db2.gz TWACQRTUWHBDJR-NQBHXWOUSA-N -1 0 319.379 -0.082 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N2CC3CC2(C(=O)[O-])C3)C1 ZINC000656583142 412010282 /nfs/dbraw/zinc/01/02/82/412010282.db2.gz AWVDISOINRETHQ-NBBOBHDQSA-N -1 0 317.367 -0.721 20 0 DBADRM C[C@]12COC[C@@H]1CN(S(=O)(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC000656732408 412011872 /nfs/dbraw/zinc/01/18/72/412011872.db2.gz XNEHEMJJCMSWLF-AAEUAGOBSA-N -1 0 318.395 -0.004 20 0 DBADRM C[C@@]12COC[C@H]1CN(S(=O)(=O)c1cnn(CC(=O)[O-])c1)C2 ZINC000656727194 412012004 /nfs/dbraw/zinc/01/20/04/412012004.db2.gz GWFBUTWNVUFFBY-BXKDBHETSA-N -1 0 315.351 -0.375 20 0 DBADRM COC[C@H](CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])OC ZINC000656718960 412012242 /nfs/dbraw/zinc/01/22/42/412012242.db2.gz XNNYOMSBNBGLRQ-UWVGGRQHSA-N -1 0 310.372 -0.579 20 0 DBADRM C[C@]12COC[C@H]1CN(S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C2 ZINC000656730745 412012535 /nfs/dbraw/zinc/01/25/35/412012535.db2.gz RMYWWVMFOYJXOZ-SCVCMEIPSA-N -1 0 304.368 -0.252 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])C[C@H](C)O1 ZINC000656716852 412012580 /nfs/dbraw/zinc/01/25/80/412012580.db2.gz JSHGSMSHMZTWGQ-QEYWKRMJSA-N -1 0 308.356 -0.828 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000656719539 412012595 /nfs/dbraw/zinc/01/25/95/412012595.db2.gz BWGLUHINKZYUNY-UHFFFAOYSA-N -1 0 322.383 -0.625 20 0 DBADRM CN(C[C@@H]1COCCO1)S(=O)(=O)c1csnc1C(=O)[O-] ZINC000656722006 412012625 /nfs/dbraw/zinc/01/26/25/412012625.db2.gz ZXXXVOUYVNSVDA-SSDOTTSWSA-N -1 0 322.364 -0.123 20 0 DBADRM C[C@]12COC[C@@H]1CN(S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C2 ZINC000656730743 412012716 /nfs/dbraw/zinc/01/27/16/412012716.db2.gz RMYWWVMFOYJXOZ-NHCYSSNCSA-N -1 0 304.368 -0.252 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C[C@H](C)O1 ZINC000656720079 412012719 /nfs/dbraw/zinc/01/27/19/412012719.db2.gz MZXRYPBMDOUNGW-GJYTXDDASA-N -1 0 304.368 -0.111 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@H](C(=O)[O-])C1CC1 ZINC000656852207 412013228 /nfs/dbraw/zinc/01/32/28/412013228.db2.gz WGLNQZODRPDFFH-SNVBAGLBSA-N -1 0 304.368 -0.409 20 0 DBADRM CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1[O-] ZINC000656862556 412014526 /nfs/dbraw/zinc/01/45/26/412014526.db2.gz ILPJLLXWSKENAI-UHFFFAOYSA-N -1 0 314.363 -0.129 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccccc2[O-])C1 ZINC000656942558 412017117 /nfs/dbraw/zinc/01/71/17/412017117.db2.gz HMUUQXXRFGZIPH-MRVPVSSYSA-N -1 0 306.365 -0.556 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccccc1[O-] ZINC000656952475 412018052 /nfs/dbraw/zinc/01/80/52/412018052.db2.gz YQFYWXJPSBWARI-SECBINFHSA-N -1 0 320.392 -0.166 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cn(C)c(C(C)C)n1)C(=O)[O-] ZINC000654772836 411950097 /nfs/dbraw/zinc/95/00/97/411950097.db2.gz SAIOZNBFVZJZQO-QMMMGPOBSA-N -1 0 305.356 -0.079 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cn(C)c(C(C)C)n1)C(=O)[O-] ZINC000654772835 411950361 /nfs/dbraw/zinc/95/03/61/411950361.db2.gz SAIOZNBFVZJZQO-MRVPVSSYSA-N -1 0 305.356 -0.079 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000127026989 411958823 /nfs/dbraw/zinc/95/88/23/411958823.db2.gz WZSGXDXUADXFRX-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-]CC(F)(F)CN)[C@H]1CCOC1 ZINC000658371558 412053629 /nfs/dbraw/zinc/05/36/29/412053629.db2.gz KHWFTPKLVXYGJO-DTWKUNHWSA-N -1 0 302.343 -0.449 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NS(=O)(=O)c1ccccc1[O-] ZINC000657001324 412022028 /nfs/dbraw/zinc/02/20/28/412022028.db2.gz KDTSMYWKBZUIPM-VIFPVBQESA-N -1 0 322.408 -0.002 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@H](CO)O1 ZINC000659058678 412076587 /nfs/dbraw/zinc/07/65/87/412076587.db2.gz ONAKJYYJHMTBNI-RKDXNWHRSA-N -1 0 323.305 -0.674 20 0 DBADRM CN(C(=O)C(=O)Nc1cccnc1C(=O)[O-])[C@H]1CCN(C)C1=O ZINC000659058430 412076765 /nfs/dbraw/zinc/07/67/65/412076765.db2.gz OFBVNDHXAGTIBH-VIFPVBQESA-N -1 0 320.305 -0.593 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659059834 412076260 /nfs/dbraw/zinc/07/62/60/412076260.db2.gz GVKOJAGKCJOCDI-DTWKUNHWSA-N -1 0 309.278 -0.752 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N(CCO)CC1CC1 ZINC000659057491 412076406 /nfs/dbraw/zinc/07/64/06/412076406.db2.gz JMAQDFYAMGKKEY-UHFFFAOYSA-N -1 0 307.306 -0.051 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])S1(=O)=O ZINC000659243928 412083059 /nfs/dbraw/zinc/08/30/59/412083059.db2.gz XEOSOMWVIJKSTL-VDDIYKPWSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CN1CCCS1(=O)=O ZINC000659234605 412083675 /nfs/dbraw/zinc/08/36/75/412083675.db2.gz ASJVXLQVIJLPRH-CABZTGNLSA-N -1 0 304.368 -0.219 20 0 DBADRM CN(C(=O)CCN1CCCS1(=O)=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659229713 412083784 /nfs/dbraw/zinc/08/37/84/412083784.db2.gz ZFAJAWQXHJKDNP-AOOOYVTPSA-N -1 0 304.368 -0.266 20 0 DBADRM CN(C)c1ncc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cn1 ZINC000659069740 412077831 /nfs/dbraw/zinc/07/78/31/412077831.db2.gz YJSIMYXYETVAIE-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM Cc1nn(C)c2ncc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc12 ZINC000659062823 412078010 /nfs/dbraw/zinc/07/80/10/412078010.db2.gz MSSDLEDDQWWKRL-SSDOTTSWSA-N -1 0 305.294 -0.195 20 0 DBADRM Cc1cn(C)nc1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659066581 412078120 /nfs/dbraw/zinc/07/81/20/412078120.db2.gz FALVYQURIGCEOV-YMTOWFKASA-N -1 0 322.321 -0.773 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000659064089 412078171 /nfs/dbraw/zinc/07/81/71/412078171.db2.gz DKIAAEHADCRSMP-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659064471 412078471 /nfs/dbraw/zinc/07/84/71/412078471.db2.gz IWOSVJZZQFRAKM-UHFFFAOYSA-N -1 0 313.354 -0.706 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N[C@@H](CO)C1CCC1 ZINC000659064203 412078816 /nfs/dbraw/zinc/07/88/16/412078816.db2.gz IWQYSAPWHKDVBD-JTQLQIEISA-N -1 0 307.306 -0.005 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1nc2ncccn2n1)[C@@H]1CCCOC1 ZINC000659145526 412081121 /nfs/dbraw/zinc/08/11/21/412081121.db2.gz FYLSPOVYTVWPIC-BDAKNGLRSA-N -1 0 305.294 -0.266 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000659207728 412081643 /nfs/dbraw/zinc/08/16/43/412081643.db2.gz CBTHRNTZJUWUSB-SECBINFHSA-N -1 0 306.384 -0.069 20 0 DBADRM CO[C@@H]1CCN(C(=O)CS(=O)(=O)C(C)C)[C@H](C(=O)[O-])C1 ZINC000659220432 412081743 /nfs/dbraw/zinc/08/17/43/412081743.db2.gz PARSDDAAZQCDHY-ZJUUUORDSA-N -1 0 307.368 -0.100 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1ccn2nnnc2c1)[C@@H]1CCCOC1 ZINC000659147193 412081779 /nfs/dbraw/zinc/08/17/79/412081779.db2.gz SSCDQPJQIFZNOZ-KOLCDFICSA-N -1 0 305.294 -0.266 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)Cc1nnn(C(C)(C)C)n1 ZINC000659139141 412081979 /nfs/dbraw/zinc/08/19/79/412081979.db2.gz ORSKJNDOARUCQP-ZDUSSCGKSA-N -1 0 313.358 -0.033 20 0 DBADRM CC(C)(CCNC(=O)C1(n2cnnn2)CCOCC1)C(=O)[O-] ZINC000659156464 412082018 /nfs/dbraw/zinc/08/20/18/412082018.db2.gz IVRIBDSISHJEIP-UHFFFAOYSA-N -1 0 311.342 -0.204 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NC[C@H](CC(=O)[O-])C2CC2)nn1 ZINC000659212202 412082105 /nfs/dbraw/zinc/08/21/05/412082105.db2.gz WRZDNXZGOXVOSC-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@H](CNC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)C(=O)[O-] ZINC000659412145 412086863 /nfs/dbraw/zinc/08/68/63/412086863.db2.gz PWBVYSDQFFEQLQ-RKDXNWHRSA-N -1 0 307.372 -0.618 20 0 DBADRM Cc1nccn1CCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659395542 412086931 /nfs/dbraw/zinc/08/69/31/412086931.db2.gz RSMUIRUZYUGAJU-BXUZGUMPSA-N -1 0 308.338 -0.066 20 0 DBADRM CN(CCCNC(=O)NCCCCC(=O)[O-])S(C)(=O)=O ZINC000659407916 412087148 /nfs/dbraw/zinc/08/71/48/412087148.db2.gz NUGQDMMHGMXPCV-UHFFFAOYSA-N -1 0 309.388 -0.178 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCCn2cc(CO)nn2)CCC1 ZINC000659425722 412087339 /nfs/dbraw/zinc/08/73/39/412087339.db2.gz MGKHBGFRVOKCFR-UHFFFAOYSA-N -1 0 311.342 -0.285 20 0 DBADRM COCCOC[C@@H](C)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659399755 412087781 /nfs/dbraw/zinc/08/77/81/412087781.db2.gz VHBLNKXRQRHDPI-JTNHKYCSSA-N -1 0 316.354 -0.220 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)CCC1=O ZINC000659651238 412098854 /nfs/dbraw/zinc/09/88/54/412098854.db2.gz KLKGORRPFHNKKH-VIFPVBQESA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)CCC1 ZINC000659652590 412099109 /nfs/dbraw/zinc/09/91/09/412099109.db2.gz WTJRSVVRBXNQMT-SNVBAGLBSA-N -1 0 320.349 -0.246 20 0 DBADRM CCc1nncn1CCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659654496 412099311 /nfs/dbraw/zinc/09/93/11/412099311.db2.gz OGNJFKRPCYNOBY-UHFFFAOYSA-N -1 0 323.353 -0.672 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCCCn2cncn2)CCC1 ZINC000659647198 412099378 /nfs/dbraw/zinc/09/93/78/412099378.db2.gz SIPIZCBQVPWPNY-UHFFFAOYSA-N -1 0 309.326 -0.845 20 0 DBADRM CC1(CCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000659655288 412099398 /nfs/dbraw/zinc/09/93/98/412099398.db2.gz GLJXLPOWAZBZII-MEBBXXQBSA-N -1 0 310.350 -0.148 20 0 DBADRM CC1(C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659651662 412099401 /nfs/dbraw/zinc/09/94/01/412099401.db2.gz OLRHJIPLLDIQHR-FEUHOPSXSA-N -1 0 310.350 -0.292 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1ccsc1)C2 ZINC000659647701 412099438 /nfs/dbraw/zinc/09/94/38/412099438.db2.gz ZXGSARGZTWTODK-QMTHXVAHSA-N -1 0 324.358 -0.076 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)CO)C(=O)[O-] ZINC000659662065 412099762 /nfs/dbraw/zinc/09/97/62/412099762.db2.gz OZVGAVQIHBTDMJ-MXWKQRLJSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](NC(=O)C(=O)NCC1(C(=O)[O-])CCC1)c1ccn(C)n1 ZINC000659656222 412099789 /nfs/dbraw/zinc/09/97/89/412099789.db2.gz PXLQWERXHRNBGW-VIFPVBQESA-N -1 0 308.338 -0.032 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NCCO[C@@H]1CC1(F)F)C(=O)[O-] ZINC000659662918 412099840 /nfs/dbraw/zinc/09/98/40/412099840.db2.gz HRECWRIFZIJLJI-HTQZYQBOSA-N -1 0 308.281 -0.294 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)nn1 ZINC000659664082 412100020 /nfs/dbraw/zinc/10/00/20/412100020.db2.gz PEOZQLZUBWZPOH-NXEZZACHSA-N -1 0 323.353 -0.517 20 0 DBADRM CC1(C)[C@H](CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1(F)F ZINC000659663522 412100024 /nfs/dbraw/zinc/10/00/24/412100024.db2.gz GDSQFDXRUYBKOQ-SFYZADRCSA-N -1 0 320.292 -0.294 20 0 DBADRM CCn1cc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)nn1 ZINC000659662722 412100083 /nfs/dbraw/zinc/10/00/83/412100083.db2.gz VQFWOHHIUNLPCD-SNVBAGLBSA-N -1 0 311.342 -0.613 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659657691 412100098 /nfs/dbraw/zinc/10/00/98/412100098.db2.gz YMDLGIXMVOTTEJ-BDAKNGLRSA-N -1 0 311.338 -0.872 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000659661176 412100190 /nfs/dbraw/zinc/10/01/90/412100190.db2.gz XTSOPVPBCHRCNU-SNVBAGLBSA-N -1 0 316.354 -0.523 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCC1=CCCC1)C2 ZINC000659664249 412100252 /nfs/dbraw/zinc/10/02/52/412100252.db2.gz NLOXQHKQOSJVCQ-IAQYHMDHSA-N -1 0 308.334 -0.228 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC000659660820 412100305 /nfs/dbraw/zinc/10/03/05/412100305.db2.gz MJKCSZMMZHHDOT-WDEREUQCSA-N -1 0 320.349 -0.187 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CCO)C(=O)[O-] ZINC000659663008 412100555 /nfs/dbraw/zinc/10/05/55/412100555.db2.gz WEVKBFUAQGSSQE-GMTAPVOTSA-N -1 0 300.355 -0.167 20 0 DBADRM Cn1cnc(CCNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC000659656403 412100620 /nfs/dbraw/zinc/10/06/20/412100620.db2.gz LLLIGXCEOUYWRF-UHFFFAOYSA-N -1 0 308.338 -0.550 20 0 DBADRM COC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C1CCOCC1 ZINC000659662247 412100821 /nfs/dbraw/zinc/10/08/21/412100821.db2.gz QYEVWOXUVVOBSZ-ONGXEEELSA-N -1 0 316.354 -0.619 20 0 DBADRM C[C@@]1(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1(F)F ZINC000659665933 412100838 /nfs/dbraw/zinc/10/08/38/412100838.db2.gz SRZXXERZSPWKLF-PRHODGIISA-N -1 0 320.292 -0.150 20 0 DBADRM CC1(C)[C@@H](CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1(F)F ZINC000659663520 412100851 /nfs/dbraw/zinc/10/08/51/412100851.db2.gz GDSQFDXRUYBKOQ-JGVFFNPUSA-N -1 0 320.292 -0.294 20 0 DBADRM COC[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C1CCOCC1 ZINC000659662244 412100887 /nfs/dbraw/zinc/10/08/87/412100887.db2.gz QYEVWOXUVVOBSZ-GXSJLCMTSA-N -1 0 316.354 -0.619 20 0 DBADRM Cn1ncc(C2CCC2)c1CNC(=O)C(=O)NCCC(=O)[O-] ZINC000659659437 412100929 /nfs/dbraw/zinc/10/09/29/412100929.db2.gz UAOCJIZHDPZDRS-UHFFFAOYSA-N -1 0 308.338 -0.105 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2[C@@H]3CC[C@H]2CNC(=O)C3)CCC1 ZINC000659668819 412101427 /nfs/dbraw/zinc/10/14/27/412101427.db2.gz NHOFPZRSUXEBGU-ZJUUUORDSA-N -1 0 323.349 -0.763 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@@H](CCCO)C2)CCC1 ZINC000659671397 412102199 /nfs/dbraw/zinc/10/21/99/412102199.db2.gz ZGNXAWPPWAVNAT-LLVKDONJSA-N -1 0 312.366 -0.022 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659669939 412102326 /nfs/dbraw/zinc/10/23/26/412102326.db2.gz ZICSTWPJXJXXFK-WDEREUQCSA-N -1 0 312.366 -0.023 20 0 DBADRM CN(Cc1cnccn1)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659670953 412102426 /nfs/dbraw/zinc/10/24/26/412102426.db2.gz WTBRRKFNUVZDQG-UHFFFAOYSA-N -1 0 306.322 -0.194 20 0 DBADRM O=C([O-])COc1cccc(C(=O)NCCN2C(=O)CNC2=O)c1 ZINC000659756471 412122694 /nfs/dbraw/zinc/12/26/94/412122694.db2.gz FTYJFXOYFPQEIP-UHFFFAOYSA-N -1 0 321.289 -0.568 20 0 DBADRM CCN(C(=O)CC1(n2cnnn2)CCOCC1)[C@H](C)C(=O)[O-] ZINC000659768467 412122755 /nfs/dbraw/zinc/12/27/55/412122755.db2.gz GOXYRSYUQOAPRI-SNVBAGLBSA-N -1 0 311.342 -0.110 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659778336 412123194 /nfs/dbraw/zinc/12/31/94/412123194.db2.gz HFVIPADIWDBIRJ-ZVWUFJHRSA-N -1 0 322.317 -0.043 20 0 DBADRM Cn1nnc2cc(C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)cnc21 ZINC000659780618 412124489 /nfs/dbraw/zinc/12/44/89/412124489.db2.gz YLFAVTXNTRECNN-YMTOWFKASA-N -1 0 317.305 -0.464 20 0 DBADRM Cn1c(=O)cc(N[C@@H](Cc2ccncc2)C(=O)[O-])n(C)c1=O ZINC000662883044 412207393 /nfs/dbraw/zinc/20/73/93/412207393.db2.gz LPMKWAFPGXEJGM-JTQLQIEISA-N -1 0 304.306 -0.413 20 0 DBADRM Cn1ncc2c1nc(N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)[nH]c2=O ZINC000662886283 412207447 /nfs/dbraw/zinc/20/74/47/412207447.db2.gz VUIMPFBARVZHRA-FUXBKTLASA-N -1 0 305.294 -0.394 20 0 DBADRM CC[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662905584 412208799 /nfs/dbraw/zinc/20/87/99/412208799.db2.gz DYWUAITWVFMNPC-FIXISWKDSA-N -1 0 310.350 -0.196 20 0 DBADRM CCNC(=O)c1ccc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nn1 ZINC000662886880 412208837 /nfs/dbraw/zinc/20/88/37/412208837.db2.gz PWRXTENIYHBNCN-YMTOWFKASA-N -1 0 306.322 -0.236 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](Nc2cc(N3CCOCC3)ncn2)[C@@H](O)C1 ZINC000662896164 412208972 /nfs/dbraw/zinc/20/89/72/412208972.db2.gz KNEBUWYAYZCKHZ-AXFHLTTASA-N -1 0 308.338 -0.051 20 0 DBADRM COCCCN(C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662904040 412208985 /nfs/dbraw/zinc/20/89/85/412208985.db2.gz MWAPJYAEGRQLQS-QMTHXVAHSA-N -1 0 314.338 -0.959 20 0 DBADRM CNS(=O)(=O)c1ccc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)nc1 ZINC000662897893 412209336 /nfs/dbraw/zinc/20/93/36/412209336.db2.gz YZJBBLMJIGAQDC-QNSHHTMESA-N -1 0 315.351 -0.374 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@H]3CCC[C@@H]31)C2 ZINC000662903739 412209379 /nfs/dbraw/zinc/20/93/79/412209379.db2.gz GHUUBYMOQXMTJA-LSSIXWDNSA-N -1 0 322.361 -0.053 20 0 DBADRM Nc1c(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)ncnc1-n1cccn1 ZINC000662898469 412209645 /nfs/dbraw/zinc/20/96/45/412209645.db2.gz UUFSIVJLZFBURU-DJLDLDEBSA-N -1 0 304.310 -0.120 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)C1 ZINC000662913060 412210819 /nfs/dbraw/zinc/21/08/19/412210819.db2.gz JMXCOPVZJMBBMO-WDEREUQCSA-N -1 0 321.337 -0.940 20 0 DBADRM CN(Cc1cn(C)nn1)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000662910906 412210824 /nfs/dbraw/zinc/21/08/24/412210824.db2.gz ALZJDKLRAIGAJF-SNVBAGLBSA-N -1 0 323.353 -0.513 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000132887021 412210937 /nfs/dbraw/zinc/21/09/37/412210937.db2.gz KLJIFZFBPFCCLM-UWVGGRQHSA-N -1 0 304.368 -0.409 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3COC[C@@H]3C2)C1 ZINC000662913940 412211075 /nfs/dbraw/zinc/21/10/75/412211075.db2.gz NWIYMKAEDSFMFR-UTUOFQBUSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@H]1CC[C@H](C)N1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662912782 412211324 /nfs/dbraw/zinc/21/13/24/412211324.db2.gz VYUSGEZWLLUUEW-KIGUWFBYSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@@H](CO)[C@H]1CCCCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000662912147 412211608 /nfs/dbraw/zinc/21/16/08/412211608.db2.gz IIRMYIHQOHPMJZ-WDEREUQCSA-N -1 0 300.355 -0.071 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000662915538 412212095 /nfs/dbraw/zinc/21/20/95/412212095.db2.gz ZBUMVERFPKZKBX-GFCCVEGCSA-N -1 0 308.281 -0.198 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000662914672 412212207 /nfs/dbraw/zinc/21/22/07/412212207.db2.gz TXPMFAMISUKMDE-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)[C@H]1CCO ZINC000662915957 412212584 /nfs/dbraw/zinc/21/25/84/412212584.db2.gz PWRUJQAKRYNMCE-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CCF)C2)CCO1 ZINC000662914959 412212653 /nfs/dbraw/zinc/21/26/53/412212653.db2.gz VDPMDFVPGWLYJO-WDEREUQCSA-N -1 0 316.329 -0.103 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@](O)(C3CC3)C2)C1 ZINC000662914689 412212923 /nfs/dbraw/zinc/21/29/23/412212923.db2.gz UCBPRUHSYUETGR-MEBBXXQBSA-N -1 0 310.350 -0.317 20 0 DBADRM COCCN1C[C@@H](C(=O)Nc2cnn(CC(=O)[O-])c2)CC1=O ZINC000315096200 412167172 /nfs/dbraw/zinc/16/71/72/412167172.db2.gz NDUHEQNQQLNHMB-VIFPVBQESA-N -1 0 310.310 -0.599 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCN(C(=O)N3CCCC3)CC2)C1=O ZINC000662203252 412171796 /nfs/dbraw/zinc/17/17/96/412171796.db2.gz PNQJJMJYDQPMKW-LBPRGKRZSA-N -1 0 324.381 -0.495 20 0 DBADRM O=C([O-])[C@H]1c2ccccc2CCN1CC(=O)N1CCNC(=O)C1 ZINC000662236287 412174148 /nfs/dbraw/zinc/17/41/48/412174148.db2.gz VKOASDYLFFFWFR-OAHLLOKOSA-N -1 0 317.345 -0.371 20 0 DBADRM C[C@](O)(CNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1)C(=O)[O-] ZINC000663028275 412223822 /nfs/dbraw/zinc/22/38/22/412223822.db2.gz YTOZJTSIFTYUQS-LSDHHAIUSA-N -1 0 306.318 -0.604 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000663025379 412223957 /nfs/dbraw/zinc/22/39/57/412223957.db2.gz HGBIOBZWDMSCKL-NXEZZACHSA-N -1 0 319.383 -0.775 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000663028591 412223988 /nfs/dbraw/zinc/22/39/88/412223988.db2.gz YOUTWYWCAMCWQF-SSDOTTSWSA-N -1 0 318.307 -0.839 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000663028592 412224201 /nfs/dbraw/zinc/22/42/01/412224201.db2.gz YOUTWYWCAMCWQF-ZETCQYMHSA-N -1 0 318.307 -0.839 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000663045097 412224394 /nfs/dbraw/zinc/22/43/94/412224394.db2.gz WZMRKSAEEDIFGY-YMTOWFKASA-N -1 0 324.337 -0.560 20 0 DBADRM CO[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])C1CCCC1 ZINC000663053228 412225091 /nfs/dbraw/zinc/22/50/91/412225091.db2.gz AVGPIJRLMAFZQI-QWRGUYRKSA-N -1 0 319.379 -0.098 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000663061658 412225383 /nfs/dbraw/zinc/22/53/83/412225383.db2.gz QMNZFBOYBHJGNI-AUTRQRHGSA-N -1 0 322.383 -0.690 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000663052947 412225433 /nfs/dbraw/zinc/22/54/33/412225433.db2.gz YSALSWIZSJTTKU-NOZJJQNGSA-N -1 0 318.395 -0.115 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000663063986 412225583 /nfs/dbraw/zinc/22/55/83/412225583.db2.gz JEHBSOAEJXACGF-KWQFWETISA-N -1 0 308.356 -0.984 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)O1 ZINC000663059114 412225701 /nfs/dbraw/zinc/22/57/01/412225701.db2.gz BBSCIKPTBIRWLA-NWDGAFQWSA-N -1 0 322.317 -0.087 20 0 DBADRM COCCCOCCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000663053548 412225750 /nfs/dbraw/zinc/22/57/50/412225750.db2.gz DAMHNZCTMVQSDP-JTQLQIEISA-N -1 0 323.367 -0.860 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000663076291 412225753 /nfs/dbraw/zinc/22/57/53/412225753.db2.gz WUFDSKRHLZTIFW-HNNXBMFYSA-N -1 0 320.301 -0.112 20 0 DBADRM CO[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C1CCCC1 ZINC000663053221 412225755 /nfs/dbraw/zinc/22/57/55/412225755.db2.gz AVGPIJRLMAFZQI-GHMZBOCLSA-N -1 0 319.379 -0.098 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C1(C(=O)[O-])CCC1 ZINC000663099792 412226190 /nfs/dbraw/zinc/22/61/90/412226190.db2.gz XHDLGHJTPCVOIG-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000663111425 412226470 /nfs/dbraw/zinc/22/64/70/412226470.db2.gz OGMCEIVCJGHSKX-IINYFYTJSA-N -1 0 310.354 -0.005 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663098490 412226543 /nfs/dbraw/zinc/22/65/43/412226543.db2.gz LCDWMKGTQPPGGG-UWVGGRQHSA-N -1 0 304.368 -0.363 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000663100524 412226560 /nfs/dbraw/zinc/22/65/60/412226560.db2.gz JPAGNNNLDITRGF-MRXNPFEDSA-N -1 0 323.393 -0.090 20 0 DBADRM CN(CCCNC(=O)[C@@]1(C(=O)[O-])CC1(C)C)S(C)(=O)=O ZINC000663080317 412226634 /nfs/dbraw/zinc/22/66/34/412226634.db2.gz FSFACFLKJIYTMQ-GFCCVEGCSA-N -1 0 306.384 -0.115 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000663092900 412226706 /nfs/dbraw/zinc/22/67/06/412226706.db2.gz SZUBPOIWMXXYNT-JTQLQIEISA-N -1 0 306.384 -0.067 20 0 DBADRM CCN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@H](C)C(=O)[O-] ZINC000663126843 412226988 /nfs/dbraw/zinc/22/69/88/412226988.db2.gz ZUFIVHLZWJEECW-RKDXNWHRSA-N -1 0 307.372 -0.777 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000663127385 412227245 /nfs/dbraw/zinc/22/72/45/412227245.db2.gz LGJRPYQWHDIFDG-YIZRAAEISA-N -1 0 307.368 -0.339 20 0 DBADRM O=C([O-])C1(NC(=O)c2ccc(-n3cnnn3)cn2)CCOCC1 ZINC000663144200 412227268 /nfs/dbraw/zinc/22/72/68/412227268.db2.gz UJSXRSPLWSLKPZ-UHFFFAOYSA-N -1 0 318.293 -0.579 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000663132483 412227388 /nfs/dbraw/zinc/22/73/88/412227388.db2.gz ZJELLUSDWCUSJB-BYCMXARLSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1ccn3nnnc3c1)C2 ZINC000663129171 412227770 /nfs/dbraw/zinc/22/77/70/412227770.db2.gz JHMJDCKMSSBPCQ-NOZJJQNGSA-N -1 0 303.278 -0.703 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CCN1S(C)(=O)=O ZINC000663131487 412227783 /nfs/dbraw/zinc/22/77/83/412227783.db2.gz CRPKDNLWTMOUKF-NOZJJQNGSA-N -1 0 318.395 -0.020 20 0 DBADRM CCS(=O)(=O)NCC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000663138709 412227812 /nfs/dbraw/zinc/22/78/12/412227812.db2.gz PAINYXWAYAHYQE-UHFFFAOYSA-N -1 0 318.355 -0.419 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000663142377 412227819 /nfs/dbraw/zinc/22/78/19/412227819.db2.gz ZIHPTUVRCDDGRC-VIFPVBQESA-N -1 0 319.383 -0.727 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2ccc(-n3cnnn3)cn2)CCOC1 ZINC000663131680 412227926 /nfs/dbraw/zinc/22/79/26/412227926.db2.gz GTGTXNKFKLVVNT-LBPRGKRZSA-N -1 0 304.266 -0.969 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NCC2(C(=O)[O-])CCC2)co1 ZINC000663140800 412227934 /nfs/dbraw/zinc/22/79/34/412227934.db2.gz DNYPYRNPNWXHCI-UHFFFAOYSA-N -1 0 302.308 -0.088 20 0 DBADRM CC(C)(C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC000663130590 412228008 /nfs/dbraw/zinc/22/80/08/412228008.db2.gz LFGXFPQLBLGPAQ-PRHODGIISA-N -1 0 305.352 -0.631 20 0 DBADRM COCC(=O)N(C)CC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000663138984 412228042 /nfs/dbraw/zinc/22/80/42/412228042.db2.gz TZPHQTPSMJVYPD-UHFFFAOYSA-N -1 0 312.326 -0.254 20 0 DBADRM CCn1ncc2c1ncn([C@H]1CCN(CC(=O)[O-])C1=O)c2=O ZINC000663220354 412228656 /nfs/dbraw/zinc/22/86/56/412228656.db2.gz QMGPRXSBELKRGJ-VIFPVBQESA-N -1 0 305.294 -0.529 20 0 DBADRM O=C([O-])CN1CC[C@@H](n2c(=O)onc2-c2cnccn2)C1=O ZINC000663218555 412228698 /nfs/dbraw/zinc/22/86/98/412228698.db2.gz AJOFJPNNKDUPOX-MRVPVSSYSA-N -1 0 305.250 -0.849 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1=O ZINC000663151808 412228928 /nfs/dbraw/zinc/22/89/28/412228928.db2.gz RNQYPKFZOOUYDZ-MRVPVSSYSA-N -1 0 311.294 -0.976 20 0 DBADRM CC[C@@]1(C2CC2)NC(=O)N([C@H]2CCN(CC(=O)[O-])C2=O)C1=O ZINC000663218890 412229026 /nfs/dbraw/zinc/22/90/26/412229026.db2.gz DNEZCIPOGNBUSS-XPTSAGLGSA-N -1 0 309.322 -0.218 20 0 DBADRM CC1([C@]2(C)NC(=O)N([C@H]3CCN(CC(=O)[O-])C3=O)C2=O)CC1 ZINC000663220911 412229547 /nfs/dbraw/zinc/22/95/47/412229547.db2.gz WBRYATATZDSVSE-RMLUDKJBSA-N -1 0 309.322 -0.218 20 0 DBADRM NS(=O)(=O)c1ccc(O[C@H]2CCN(CC(=O)[O-])C2=O)cc1 ZINC000663219421 412229604 /nfs/dbraw/zinc/22/96/04/412229604.db2.gz IQIXHBHUUAZMFS-JTQLQIEISA-N -1 0 314.319 -0.602 20 0 DBADRM O=C([O-])CN1CC[C@H](N2C(=O)NC3(CCCCC3)C2=O)C1=O ZINC000663218284 412229608 /nfs/dbraw/zinc/22/96/08/412229608.db2.gz BPTIEKNHFWOUPF-VIFPVBQESA-N -1 0 309.322 -0.073 20 0 DBADRM CCc1nc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cn1CC1CC1 ZINC000663285958 412230244 /nfs/dbraw/zinc/23/02/44/412230244.db2.gz MSOMKDWRVMWXGZ-VIFPVBQESA-N -1 0 317.367 -0.421 20 0 DBADRM O=C([O-])[C@@H]1N(S(=O)(=O)N2CCOCC2)CC12CCOCC2 ZINC000663287672 412230568 /nfs/dbraw/zinc/23/05/68/412230568.db2.gz KWQVVINSZXPDFE-JTQLQIEISA-N -1 0 320.367 -0.871 20 0 DBADRM CCOCCS(=O)(=O)N1CC2(CCOCC2)[C@H]1C(=O)[O-] ZINC000663286709 412230810 /nfs/dbraw/zinc/23/08/10/412230810.db2.gz FCMDZSRZYKSFCR-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM CCOCCS(=O)(=O)N1Cc2nnc(C)n2C[C@H]1C(=O)[O-] ZINC000663252328 412231283 /nfs/dbraw/zinc/23/12/83/412231283.db2.gz HFWBFHIHHAMVNF-VIFPVBQESA-N -1 0 318.355 -0.778 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)NCC2(C(=O)[O-])CC2)cc1C ZINC000663351905 412232768 /nfs/dbraw/zinc/23/27/68/412232768.db2.gz POLBTOSDIHBONT-UHFFFAOYSA-N -1 0 309.326 -0.076 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000663437593 412232878 /nfs/dbraw/zinc/23/28/78/412232878.db2.gz MWQIBEWVGGGSRL-JTQLQIEISA-N -1 0 316.326 -0.006 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663624828 412236717 /nfs/dbraw/zinc/23/67/17/412236717.db2.gz RWPRCRKNXOEXQQ-KOLCDFICSA-N -1 0 323.353 -0.600 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663621442 412236761 /nfs/dbraw/zinc/23/67/61/412236761.db2.gz QWCKXHAPRLKWTD-JTQLQIEISA-N -1 0 313.354 -0.754 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)NCCOCCF)CC1 ZINC000663628396 412236772 /nfs/dbraw/zinc/23/67/72/412236772.db2.gz MPNSQNSQLXPGRZ-UHFFFAOYSA-N -1 0 304.318 -0.152 20 0 DBADRM CCn1ncnc1CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663624311 412236964 /nfs/dbraw/zinc/23/69/64/412236964.db2.gz MBZBYZITPIWSSH-SNVBAGLBSA-N -1 0 323.353 -0.469 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)NCCOCCF)C1 ZINC000663630437 412237037 /nfs/dbraw/zinc/23/70/37/412237037.db2.gz NXBDBGTVAKSWMG-JTQLQIEISA-N -1 0 304.318 -0.198 20 0 DBADRM C[C@]1(CO)CCCN1C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663634287 412237091 /nfs/dbraw/zinc/23/70/91/412237091.db2.gz MLYYDDZOXQQSTD-IAQYHMDHSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCC[C@H](CO)C1)C1CCC1 ZINC000663635229 412237186 /nfs/dbraw/zinc/23/71/86/412237186.db2.gz OFPSLSPRPCXCCX-CMPLNLGQSA-N -1 0 312.366 -0.166 20 0 DBADRM Cc1noc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)n1 ZINC000663620404 412237196 /nfs/dbraw/zinc/23/71/96/412237196.db2.gz OXDRVVAWZQJNLR-SECBINFHSA-N -1 0 310.310 -0.389 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663637190 412237738 /nfs/dbraw/zinc/23/77/38/412237738.db2.gz XUOUKCBRLBVNJA-NSHDSACASA-N -1 0 313.354 -0.754 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)n1 ZINC000663636841 412237762 /nfs/dbraw/zinc/23/77/62/412237762.db2.gz BVHHRWBJOXCOPQ-JTQLQIEISA-N -1 0 324.337 -0.046 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663637849 412237850 /nfs/dbraw/zinc/23/78/50/412237850.db2.gz JJYDOAWCUWYQEA-ZMLRMANQSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663637928 412238025 /nfs/dbraw/zinc/23/80/25/412238025.db2.gz KJEZMAHCPMFPKS-USWWRNFRSA-N -1 0 312.366 -0.167 20 0 DBADRM COC[C@@H](CN1[N-]S(=O)(=O)c2ccccc2C1=O)OC ZINC000663932883 412244825 /nfs/dbraw/zinc/24/48/25/412244825.db2.gz QXVPKLRJOBAMPC-SECBINFHSA-N -1 0 300.336 -0.003 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000665321925 412308936 /nfs/dbraw/zinc/30/89/36/412308936.db2.gz UDHOFGKWXKNFMI-VHSXEESVSA-N -1 0 319.383 -0.440 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2nccn3cnnc23)C1=O ZINC000416447889 412345181 /nfs/dbraw/zinc/34/51/81/412345181.db2.gz SKMLDSMMVJLTJU-ZJUUUORDSA-N -1 0 318.337 0.246 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2nccn3cnnc23)C1=O ZINC000416447871 412349683 /nfs/dbraw/zinc/34/96/83/412349683.db2.gz SKMLDSMMVJLTJU-NXEZZACHSA-N -1 0 318.337 0.246 20 0 DBADRM Cn1nc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1OC(F)F ZINC000429628743 412293251 /nfs/dbraw/zinc/29/32/51/412293251.db2.gz MAHNKRPXGNEFAA-UHFFFAOYSA-N -1 0 303.229 0.167 20 0 DBADRM Cn1nccc1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000354452644 412296471 /nfs/dbraw/zinc/29/64/71/412296471.db2.gz WJNRGCDCROEZJY-UHFFFAOYSA-N -1 0 302.341 -0.105 20 0 DBADRM Cn1[n-]c(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1=O ZINC000665309215 412304563 /nfs/dbraw/zinc/30/45/63/412304563.db2.gz NZMFQBNLYYJRCG-LLVKDONJSA-N -1 0 308.338 -0.411 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)NCCNC(=O)c1ccn[nH]1)C1CCC1 ZINC000665309504 412304782 /nfs/dbraw/zinc/30/47/82/412304782.db2.gz VMLDBGVNYGDKIH-JTQLQIEISA-N -1 0 323.353 -0.060 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2nc3ncccn3n2)c[nH]1 ZINC000437389264 412378365 /nfs/dbraw/zinc/37/83/65/412378365.db2.gz BZCLSMKUTKJGSI-UHFFFAOYSA-N -1 0 322.306 0.040 20 0 DBADRM COC(=O)c1ccc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)nc1OC ZINC000595977241 412382803 /nfs/dbraw/zinc/38/28/03/412382803.db2.gz FPBUGEDBXDWJMI-SZEHBUNVSA-N -1 0 310.306 0.513 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)[N-]c2nc3ncccn3n2)c1 ZINC000338209381 412385432 /nfs/dbraw/zinc/38/54/32/412385432.db2.gz VMZLUFDSIGTBCE-UHFFFAOYSA-N -1 0 323.290 0.305 20 0 DBADRM COc1cc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)nn1C ZINC000547500062 412436544 /nfs/dbraw/zinc/43/65/44/412436544.db2.gz KPNMYNHBNBCXST-UHFFFAOYSA-N -1 0 310.335 0.328 20 0 DBADRM CCOC(=O)Cn1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC000593957618 412422099 /nfs/dbraw/zinc/42/20/99/412422099.db2.gz OKUIURMKRDIREJ-SECBINFHSA-N -1 0 310.310 0.385 20 0 DBADRM Cc1ccc(NCCCNC(=O)C(=O)N(C)CCC(=O)[O-])nc1 ZINC000420533908 412431389 /nfs/dbraw/zinc/43/13/89/412431389.db2.gz JMFLDUWSKKLJJX-UHFFFAOYSA-N -1 0 322.365 0.241 20 0 DBADRM O=c1[n-]c(CCCNc2ccnc(N3CCOCC3)n2)n[nH]1 ZINC000353953240 412433724 /nfs/dbraw/zinc/43/37/24/412433724.db2.gz YYHWEGWKISNUQO-UHFFFAOYSA-N -1 0 305.342 0.182 20 0 DBADRM COC(=O)c1coc(C[N-]S(=O)(=O)c2c(C)onc2N)n1 ZINC000593645712 412483660 /nfs/dbraw/zinc/48/36/60/412483660.db2.gz OGWQFJRIRKMUJK-UHFFFAOYSA-N -1 0 316.295 -0.182 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCCc2nc(N)n[nH]2)c1 ZINC000597668626 412488355 /nfs/dbraw/zinc/48/83/55/412488355.db2.gz XRQHOOCBQZLWDZ-JOCHJYFZSA-N -1 0 323.378 -0.138 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)nn1C ZINC000577751459 412453710 /nfs/dbraw/zinc/45/37/10/412453710.db2.gz GKLPZKKRINOVGT-CBAPKCEASA-N -1 0 309.326 -0.369 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNc2ccc(C(=O)[O-])nn2)C1 ZINC000574403597 412459051 /nfs/dbraw/zinc/45/90/51/412459051.db2.gz HTORGPUBAWISQK-QMMMGPOBSA-N -1 0 300.340 -0.132 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000345859514 412459680 /nfs/dbraw/zinc/45/96/80/412459680.db2.gz YDSJWLDMSYUUOB-UHFFFAOYSA-N -1 0 307.339 0.275 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1ncncc1C(=O)[O-] ZINC000579838327 412460687 /nfs/dbraw/zinc/46/06/87/412460687.db2.gz QTNFJOUWZOIHOE-WPRPVWTQSA-N -1 0 314.367 0.305 20 0 DBADRM COc1ncc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1Cl ZINC000650400785 418942078 /nfs/dbraw/zinc/94/20/78/418942078.db2.gz NMZZRMRTZVMYRR-ZETCQYMHSA-N -1 0 310.715 -0.533 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cn1C ZINC000650445343 418946812 /nfs/dbraw/zinc/94/68/12/418946812.db2.gz DBDPTFVFPJKUKQ-VXNVDRBHSA-N -1 0 303.340 -0.409 20 0 DBADRM CO[C@H](CS(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1)C1CC1 ZINC000650446672 418947189 /nfs/dbraw/zinc/94/71/89/418947189.db2.gz GQKOAOCZBSRCJB-FBIMIBRVSA-N -1 0 307.368 -0.085 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])CC2CC2)nc1 ZINC000653324335 418950536 /nfs/dbraw/zinc/95/05/36/418950536.db2.gz PRORTAUUQBHNHC-UHFFFAOYSA-N -1 0 313.335 -0.334 20 0 DBADRM CC(C)(C)N1C[C@@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1=O ZINC000666534685 418983873 /nfs/dbraw/zinc/98/38/73/418983873.db2.gz OJBWEMVNWAITGU-UWVGGRQHSA-N -1 0 313.354 -0.119 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2CCCC[C@@H]2CC(=O)[O-])c1=O ZINC000314699422 544419764 /nfs/dbraw/zinc/41/97/64/544419764.db2.gz JNUDDYVWYSLBSN-SNVBAGLBSA-N -1 0 309.322 -0.597 20 0 DBADRM C[C@H]1OCC[C@@]12CN(C(=O)Cn1cc(C(=O)[O-])nn1)C[C@@H](C)O2 ZINC000668314994 544423174 /nfs/dbraw/zinc/42/31/74/544423174.db2.gz CCAIIHZCQOZBPX-GPCCPHFNSA-N -1 0 324.337 -0.229 20 0 DBADRM C[C@@H]1OCC[C@]12CN(C(=O)Cn1cc(C(=O)[O-])nn1)C[C@@H](C)O2 ZINC000668314993 544423717 /nfs/dbraw/zinc/42/37/17/544423717.db2.gz CCAIIHZCQOZBPX-BFVZDQMLSA-N -1 0 324.337 -0.229 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1ccn2nnnc2c1)C1CCOCC1 ZINC000668304966 544424862 /nfs/dbraw/zinc/42/48/62/544424862.db2.gz ALVWXYBHUZAGEZ-NSHDSACASA-N -1 0 305.294 -0.266 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)C1CCOCC1 ZINC000668311182 544425773 /nfs/dbraw/zinc/42/57/73/544425773.db2.gz PBQTYHGVLKRNHV-GWCFXTLKSA-N -1 0 310.350 -0.007 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])C2CCOCC2)nc1 ZINC000668312419 544426351 /nfs/dbraw/zinc/42/63/51/544426351.db2.gz WFJRDLZFRJWKCS-NSHDSACASA-N -1 0 307.306 -0.210 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])[C@H](C)C1 ZINC000672512580 544433868 /nfs/dbraw/zinc/43/38/68/544433868.db2.gz BDCRGZSTHNPMBP-MRVPVSSYSA-N -1 0 316.383 -0.080 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000558472817 544443722 /nfs/dbraw/zinc/44/37/22/544443722.db2.gz FOXXNDWMBZXSIC-UHFFFAOYSA-N -1 0 303.340 -0.359 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H]2CCN(C)C2=O)cc1C(=O)[O-] ZINC000230952832 544470950 /nfs/dbraw/zinc/47/09/50/544470950.db2.gz UBZZZUIXZNNHIT-SECBINFHSA-N -1 0 315.351 -0.285 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)NCC1(C(=O)[O-])CCC1 ZINC000126866716 544477203 /nfs/dbraw/zinc/47/72/03/544477203.db2.gz YITOOKNIKDQIGB-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)Cn1nc2n(c1=O)CCCC2)C1CC1 ZINC000653289051 544501650 /nfs/dbraw/zinc/50/16/50/544501650.db2.gz ICKWHXUDVKNIFG-VIFPVBQESA-N -1 0 308.338 -0.155 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)c3cc(=O)n(C)[n-]3)CC2)[nH]1 ZINC000668856559 544505767 /nfs/dbraw/zinc/50/57/67/544505767.db2.gz AFQOZEUPRKJPCN-UHFFFAOYSA-N -1 0 305.342 -0.490 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)NC2(c3nnn[n-]3)CCCC2)n1 ZINC000668870264 544507189 /nfs/dbraw/zinc/50/71/89/544507189.db2.gz CWTVBLKKOKRQKE-UHFFFAOYSA-N -1 0 318.345 -0.768 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2ccccc2C(=O)[O-])c1=O ZINC000314023368 544513298 /nfs/dbraw/zinc/51/32/98/544513298.db2.gz AFHPJXHSXPUCBI-UHFFFAOYSA-N -1 0 303.274 -0.116 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N[C@H]1CCNC1=O ZINC000616967993 544514989 /nfs/dbraw/zinc/51/49/89/544514989.db2.gz NXENXDUVUJVHIR-JTQLQIEISA-N -1 0 315.326 -0.185 20 0 DBADRM CN1CC[C@H](NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1=O ZINC000669006939 544518775 /nfs/dbraw/zinc/51/87/75/544518775.db2.gz UHXGPLPERNURMU-JTQLQIEISA-N -1 0 302.290 -0.010 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000044612869 544528827 /nfs/dbraw/zinc/52/88/27/544528827.db2.gz OOEIZJNXILOGOV-QMMMGPOBSA-N -1 0 303.340 -0.392 20 0 DBADRM Cc1noc(CCNS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000231881856 544577357 /nfs/dbraw/zinc/57/73/57/544577357.db2.gz HUTRZNXSAYBGJP-SECBINFHSA-N -1 0 318.355 -0.448 20 0 DBADRM CC1(C)[C@H](C(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H]1C(=O)[O-] ZINC000085411898 544573458 /nfs/dbraw/zinc/57/34/58/544573458.db2.gz ZFSVHXCIXUQCPX-DTWKUNHWSA-N -1 0 304.368 -0.553 20 0 DBADRM CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c(F)c1 ZINC000090262927 544595034 /nfs/dbraw/zinc/59/50/34/544595034.db2.gz DNXFYYQGEHZOSR-SECBINFHSA-N -1 0 320.298 -0.492 20 0 DBADRM CC(C)(CNS(=O)(=O)CCCC(=O)[O-])S(C)(=O)=O ZINC000093523988 544608008 /nfs/dbraw/zinc/60/80/08/544608008.db2.gz PRKJFDXZYXBSBR-UHFFFAOYSA-N -1 0 301.386 -0.406 20 0 DBADRM C[C@H](CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400106234 544635782 /nfs/dbraw/zinc/63/57/82/544635782.db2.gz CWFOKIJOMKMAKE-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM CC(C)[C@H](CNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400304327 544636277 /nfs/dbraw/zinc/63/62/77/544636277.db2.gz QWVHTVHTJMPVGO-ZJUUUORDSA-N -1 0 321.399 -0.324 20 0 DBADRM NS(=O)(=O)CCCCNS(=O)(=O)c1ccccc1[O-] ZINC000382025252 544650288 /nfs/dbraw/zinc/65/02/88/544650288.db2.gz QISXPQLLFGMMJE-UHFFFAOYSA-N -1 0 308.381 -0.261 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1cccc(-n2cnnn2)c1 ZINC000682807296 544650890 /nfs/dbraw/zinc/65/08/90/544650890.db2.gz ZYWXLBCQNFXEPZ-UHFFFAOYSA-N -1 0 306.311 -0.408 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(C(=O)CCCCC(=O)[O-])CC1 ZINC000037829898 544659467 /nfs/dbraw/zinc/65/94/67/544659467.db2.gz NTGWIDCFFFRPDO-UHFFFAOYSA-N -1 0 321.399 -0.418 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000262877848 544665033 /nfs/dbraw/zinc/66/50/33/544665033.db2.gz KRKDEAHVMMAVPG-ZETCQYMHSA-N -1 0 320.305 -0.823 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000164035028 544668820 /nfs/dbraw/zinc/66/88/20/544668820.db2.gz CQTYLEFSSSRZCB-VIFPVBQESA-N -1 0 306.384 -0.163 20 0 DBADRM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccnn2)cc1 ZINC000682491610 544642392 /nfs/dbraw/zinc/64/23/92/544642392.db2.gz DHIGKCSIJLFNSF-UHFFFAOYSA-N -1 0 314.348 -0.075 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H](C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)O1 ZINC000682524308 544643515 /nfs/dbraw/zinc/64/35/15/544643515.db2.gz QJBZFVUZYARFOM-VWYCJHECSA-N -1 0 317.363 -0.203 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)N(CCO)CCC(=O)[O-])c1 ZINC000681584457 544694386 /nfs/dbraw/zinc/69/43/86/544694386.db2.gz BSZOCEHVCNULST-UHFFFAOYSA-N -1 0 319.383 -0.003 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)C1=O ZINC000320236670 544747405 /nfs/dbraw/zinc/74/74/05/544747405.db2.gz FULIVYYIKASHIF-HNNXBMFYSA-N -1 0 319.317 -0.003 20 0 DBADRM CN1C[C@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)CCC1=O ZINC000318886499 544743436 /nfs/dbraw/zinc/74/34/36/544743436.db2.gz HENWDGOXKGLRNM-SNVBAGLBSA-N -1 0 313.354 -0.212 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)C[C@@H](C)O1 ZINC000221128568 544743677 /nfs/dbraw/zinc/74/36/77/544743677.db2.gz RVVRXIBLFSTEBI-KKZNHRDASA-N -1 0 324.424 -0.110 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]1 ZINC000673314204 544799146 /nfs/dbraw/zinc/79/91/46/544799146.db2.gz YOQSLJXARVSCIN-ZETCQYMHSA-N -1 0 303.344 -0.946 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cccnc1N1CCOCC1 ZINC000673918907 544814577 /nfs/dbraw/zinc/81/45/77/544814577.db2.gz DAUHDBPKWXGBAT-UHFFFAOYSA-N -1 0 304.310 -0.328 20 0 DBADRM C[C@@H](C(=O)NCc1n[nH]c(=O)[n-]1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000673949822 544816819 /nfs/dbraw/zinc/81/68/19/544816819.db2.gz XMAWAUBNCFFJEP-XHNCKOQMSA-N -1 0 321.337 -0.310 20 0 DBADRM CCc1nn(C)c2[nH]nc(NC(=O)c3cnc([O-])n(C)c3=O)c12 ZINC000267697756 544843193 /nfs/dbraw/zinc/84/31/93/544843193.db2.gz POCHJPDPZSRQQC-UHFFFAOYSA-N -1 0 317.309 -0.090 20 0 DBADRM CCC[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)c1nnn[n-]1 ZINC000675144592 544844764 /nfs/dbraw/zinc/84/47/64/544844764.db2.gz REEAAHHDWZIAEO-QMMMGPOBSA-N -1 0 318.403 -0.125 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000676217179 544859522 /nfs/dbraw/zinc/85/95/22/544859522.db2.gz XPJKAHVWNKVVDM-LBPRGKRZSA-N -1 0 322.317 -0.134 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cccnc2N2CCOCC2)CCO1 ZINC000676214885 544859585 /nfs/dbraw/zinc/85/95/85/544859585.db2.gz UCBFFSUHTGHSIO-GFCCVEGCSA-N -1 0 321.333 -0.156 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000676207709 544859968 /nfs/dbraw/zinc/85/99/68/544859968.db2.gz LSAZJLAZBHWHTL-UHFFFAOYSA-N -1 0 321.289 -0.610 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CCO1 ZINC000676212949 544860061 /nfs/dbraw/zinc/86/00/61/544860061.db2.gz CEZOOBYFBHDIJC-GJMOJQLCSA-N -1 0 324.255 -0.245 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)C(C)C ZINC000676215914 544860172 /nfs/dbraw/zinc/86/01/72/544860172.db2.gz RDSFVFRGVPLWDT-ONGXEEELSA-N -1 0 302.327 -0.914 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC000676690595 544876250 /nfs/dbraw/zinc/87/62/50/544876250.db2.gz UEBFGBGQSBQFON-UHFFFAOYSA-N -1 0 316.383 -0.032 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)c1[O-] ZINC000676632379 544873512 /nfs/dbraw/zinc/87/35/12/544873512.db2.gz OLCNIMICVGSNEV-UHFFFAOYSA-N -1 0 323.353 -0.767 20 0 DBADRM CN(C)C(=O)C1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCCC1 ZINC000677951784 544902564 /nfs/dbraw/zinc/90/25/64/544902564.db2.gz XRTPTJWYBURODB-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC000677949147 544902634 /nfs/dbraw/zinc/90/26/34/544902634.db2.gz QFAHBAJPJHHJPV-RXMQYKEDSA-N -1 0 307.232 -0.351 20 0 DBADRM Cc1nnnn1-c1cccc(NC(=O)c2n[nH]c(=O)[n-]c2=O)c1 ZINC000677948093 544902869 /nfs/dbraw/zinc/90/28/69/544902869.db2.gz LATQVXGQTMYOLZ-UHFFFAOYSA-N -1 0 314.265 -0.181 20 0 DBADRM Cc1cccc(OC[C@H](O)CNC(=O)c2n[nH]c(=O)[n-]c2=O)c1 ZINC000677950005 544902883 /nfs/dbraw/zinc/90/28/83/544902883.db2.gz GKFBQQDUBNLWIV-SECBINFHSA-N -1 0 320.305 -0.239 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000677951719 544902930 /nfs/dbraw/zinc/90/29/30/544902930.db2.gz WDXRUBAUGIJQNX-JTQLQIEISA-N -1 0 323.353 -0.390 20 0 DBADRM O=C(Nc1cccnc1N1CCOCC1)c1n[nH]c(=O)[n-]c1=O ZINC000678062460 544906126 /nfs/dbraw/zinc/90/61/26/544906126.db2.gz AUDDXRVRXZKQGG-UHFFFAOYSA-N -1 0 318.293 -0.233 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000677047751 544882800 /nfs/dbraw/zinc/88/28/00/544882800.db2.gz JAJSIIJVOAXPOF-JTQLQIEISA-N -1 0 315.399 -0.024 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@]12CCCO2 ZINC000680601606 544952682 /nfs/dbraw/zinc/95/26/82/544952682.db2.gz AXCBLQCUVRQBMB-RBDZCENOSA-N -1 0 310.310 -0.261 20 0 DBADRM O=C(Nc1cncnc1N1CCCC1)c1n[nH]c(=O)[n-]c1=O ZINC000680638107 544953300 /nfs/dbraw/zinc/95/33/00/544953300.db2.gz MFSRSCVOSZGJIW-UHFFFAOYSA-N -1 0 303.282 -0.075 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC(CO)CO ZINC000678345834 544911646 /nfs/dbraw/zinc/91/16/46/544911646.db2.gz IFUGRNYUWRJKKZ-UHFFFAOYSA-N -1 0 306.315 -0.720 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](c2nnn[n-]2)C1)N1C(=O)CCC1=O ZINC000678754929 544920573 /nfs/dbraw/zinc/92/05/73/544920573.db2.gz PANUNHBEOFOVRR-BDAKNGLRSA-N -1 0 306.326 -0.557 20 0 DBADRM Cc1sc2ncc(C(=O)NCc3nn[n-]n3)c(=O)n2c1C ZINC000678839344 544922257 /nfs/dbraw/zinc/92/22/57/544922257.db2.gz UAENBAWRDGUZJI-UHFFFAOYSA-N -1 0 305.323 -0.184 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000678933943 544923452 /nfs/dbraw/zinc/92/34/52/544923452.db2.gz WVOVIKZNYFZGAO-QMMMGPOBSA-N -1 0 300.336 -0.061 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1[O-] ZINC000678971444 544924248 /nfs/dbraw/zinc/92/42/48/544924248.db2.gz MDGHIEOTMDECOF-ZETCQYMHSA-N -1 0 302.356 -0.470 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N(CCC(=O)[O-])C1CC1 ZINC000678975968 544924473 /nfs/dbraw/zinc/92/44/73/544924473.db2.gz LLLXVXMFIOGKAP-UHFFFAOYSA-N -1 0 322.383 -0.592 20 0 DBADRM O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000678995179 544924612 /nfs/dbraw/zinc/92/46/12/544924612.db2.gz YLDQEPZPWHFBRN-MRVPVSSYSA-N -1 0 315.289 -0.182 20 0 DBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)C[C@H](O)CO)c1 ZINC000271304227 544929221 /nfs/dbraw/zinc/92/92/21/544929221.db2.gz TYXIRJJYZLQOQD-JTQLQIEISA-N -1 0 316.379 -0.208 20 0 DBADRM CN(CCCNC(=O)N1CCC[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000679547829 544933407 /nfs/dbraw/zinc/93/34/07/544933407.db2.gz GIZNXEICPVQBHX-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CN(CCCNC(=O)N1CCCC[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000679548469 544933530 /nfs/dbraw/zinc/93/35/30/544933530.db2.gz VILXWVWOYPSONE-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CN(CCCNC(=O)N[C@](C)(C(=O)[O-])C1CC1)S(C)(=O)=O ZINC000679548432 544933585 /nfs/dbraw/zinc/93/35/85/544933585.db2.gz SGYZKNFXGKZSLL-LBPRGKRZSA-N -1 0 321.399 -0.180 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000679548820 544933605 /nfs/dbraw/zinc/93/36/05/544933605.db2.gz IDMBTLXAOWGLLP-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CN(CC(=O)[O-])C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000679570485 544933629 /nfs/dbraw/zinc/93/36/29/544933629.db2.gz DSESJAPMZKHGRV-UHFFFAOYSA-N -1 0 319.383 -0.331 20 0 DBADRM CC(=O)NCCN(C(=O)CCn1ccccc1=O)[C@@H](C)C(=O)[O-] ZINC000679654398 544936184 /nfs/dbraw/zinc/93/61/84/544936184.db2.gz BREVJRHXQXDPRF-NSHDSACASA-N -1 0 323.349 -0.324 20 0 DBADRM CCS(=O)(=O)c1cccc(CC(=O)NCc2nnn[n-]2)c1 ZINC000680868774 544956495 /nfs/dbraw/zinc/95/64/95/544956495.db2.gz JVIQKRNKHLGQNZ-UHFFFAOYSA-N -1 0 309.351 -0.148 20 0 DBADRM C[C@@](O)(CNC(=O)CCn1cc(Br)cn1)C(=O)[O-] ZINC000681129517 544963866 /nfs/dbraw/zinc/96/38/66/544963866.db2.gz MCTISGRVSLXFMT-SNVBAGLBSA-N -1 0 320.143 -0.013 20 0 DBADRM CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000681129237 544963966 /nfs/dbraw/zinc/96/39/66/544963966.db2.gz KPENJMQQRBZOFQ-WFASDCNBSA-N -1 0 306.318 -0.084 20 0 DBADRM Cc1cc(C(=O)NC[C@](C)(O)C(=O)[O-])ccc1-n1cnnn1 ZINC000681129936 544964378 /nfs/dbraw/zinc/96/43/78/544964378.db2.gz OEHPPPSZBGHHOO-ZDUSSCGKSA-N -1 0 305.294 -0.464 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1CCCN1S(C)(=O)=O)c1nnn[n-]1 ZINC000681353953 544971022 /nfs/dbraw/zinc/97/10/22/544971022.db2.gz YUVPIWDDLLBNAV-DTWKUNHWSA-N -1 0 316.387 -0.814 20 0 DBADRM CCOc1nc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)co1 ZINC000681517207 544974262 /nfs/dbraw/zinc/97/42/62/544974262.db2.gz WXFSGCVIUGLZLG-UHFFFAOYSA-N -1 0 301.284 -0.153 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)C1Cc2ccccc2C1 ZINC000681556441 544974944 /nfs/dbraw/zinc/97/49/44/544974944.db2.gz BATIKHZBQALXLH-UHFFFAOYSA-N -1 0 312.347 -0.726 20 0 DBADRM Cc1noc2ncc(S(=O)(=O)N(CCO)CC(=O)[O-])cc12 ZINC000681585868 544975729 /nfs/dbraw/zinc/97/57/29/544975729.db2.gz NIECHGOEUOCNMZ-UHFFFAOYSA-N -1 0 315.307 -0.401 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)[C@@H]1CCOC1 ZINC000681566003 544975864 /nfs/dbraw/zinc/97/58/64/544975864.db2.gz DRGDMTHDJWVSMC-OUAUKWLOSA-N -1 0 307.368 -0.035 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000682521937 545000441 /nfs/dbraw/zinc/00/04/41/545000441.db2.gz CNBAKPSWAMOXLJ-BDAKNGLRSA-N -1 0 305.352 -0.440 20 0 DBADRM CN(CCCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1)S(C)(=O)=O ZINC000682524122 545000577 /nfs/dbraw/zinc/00/05/77/545000577.db2.gz CCDHCYMWXSSXNF-IUCAKERBSA-N -1 0 308.356 -0.984 20 0 DBADRM CN(CCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)S(C)(=O)=O ZINC000682524120 545000616 /nfs/dbraw/zinc/00/06/16/545000616.db2.gz CCDHCYMWXSSXNF-DTWKUNHWSA-N -1 0 308.356 -0.984 20 0 DBADRM COCCN(C(=O)C1CC(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000682698013 545004134 /nfs/dbraw/zinc/00/41/34/545004134.db2.gz JHYOHPAINGRPSH-ILDUYXDCSA-N -1 0 319.379 -0.241 20 0 DBADRM NC(=O)CNC(=O)c1ccc(NC(=O)C2CC(C(=O)[O-])C2)cc1 ZINC000682701996 545004469 /nfs/dbraw/zinc/00/44/69/545004469.db2.gz VLNNVZCFRRFNFR-UHFFFAOYSA-N -1 0 319.317 -0.049 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C1CC(C(=O)[O-])C1 ZINC000682702941 545004822 /nfs/dbraw/zinc/00/48/22/545004822.db2.gz GOQYXHYAZCGMQS-UDNWOFFPSA-N -1 0 304.368 -0.363 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cn1 ZINC000275265165 545005640 /nfs/dbraw/zinc/00/56/40/545005640.db2.gz JHLPQHOSRXNFPX-SCZZXKLOSA-N -1 0 303.340 -0.328 20 0 DBADRM O=C(NCCOCC(F)(F)C(F)F)c1n[nH]c(=O)[n-]c1=O ZINC000683425630 545010019 /nfs/dbraw/zinc/01/00/19/545010019.db2.gz YDWDDMKDJRQHLU-UHFFFAOYSA-N -1 0 314.195 -0.070 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)Cc2ccon2)C[C@@]12CCOC2 ZINC000683433411 545010204 /nfs/dbraw/zinc/01/02/04/545010204.db2.gz AOQDCXVVLCYJLA-ZYHUDNBSSA-N -1 0 316.335 -0.073 20 0 DBADRM CN1C[C@@H](C(=O)NCc2n[nH]c(=O)[n-]2)c2ccccc2C1=O ZINC000683856203 545013706 /nfs/dbraw/zinc/01/37/06/545013706.db2.gz FOMURJRYRNPYHY-SNVBAGLBSA-N -1 0 301.306 -0.004 20 0 DBADRM C[C@H](CNC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000054335635 545015390 /nfs/dbraw/zinc/01/53/90/545015390.db2.gz OHWNULDNYJZQKH-MRVPVSSYSA-N -1 0 315.351 -0.146 20 0 DBADRM C[C@@H]1CN(CCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H](C)O1 ZINC000684067642 545016944 /nfs/dbraw/zinc/01/69/44/545016944.db2.gz CXLRBFRFONUXKR-DTORHVGOSA-N -1 0 311.342 -0.536 20 0 DBADRM CC(C)(CNC(=O)N(CC(=O)[O-])C1CCC1)NS(C)(=O)=O ZINC000684732647 545023316 /nfs/dbraw/zinc/02/33/16/545023316.db2.gz PAFZAKUWOGGOJW-UHFFFAOYSA-N -1 0 321.399 -0.037 20 0 DBADRM COC[C@@](C)(NC(=O)NCC1(OC)CCOCC1)C(=O)[O-] ZINC000684737619 545023324 /nfs/dbraw/zinc/02/33/24/545023324.db2.gz SMBMQYCTTCZMNI-GFCCVEGCSA-N -1 0 304.343 -0.029 20 0 DBADRM CCNC(=O)CCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000685023553 545025401 /nfs/dbraw/zinc/02/54/01/545025401.db2.gz FWFFRULVLOXGCI-JTQLQIEISA-N -1 0 315.370 -0.366 20 0 DBADRM NC(=O)Cc1ccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)cc1 ZINC000685896864 545035033 /nfs/dbraw/zinc/03/50/33/545035033.db2.gz ZPAGKFSAIQFTRG-VXGBXAGGSA-N -1 0 306.318 -0.037 20 0 DBADRM NC(=O)Cc1ccc(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)cc1 ZINC000685896863 545035057 /nfs/dbraw/zinc/03/50/57/545035057.db2.gz ZPAGKFSAIQFTRG-RYUDHWBXSA-N -1 0 306.318 -0.037 20 0 DBADRM CCN(CCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])O1)S(C)(=O)=O ZINC000299924533 545035861 /nfs/dbraw/zinc/03/58/61/545035861.db2.gz VTVIPJDFNVQLOQ-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM CCn1cc(S(=O)(=O)NCCNC(C)=O)cc1C(=O)[O-] ZINC000036864380 545036138 /nfs/dbraw/zinc/03/61/38/545036138.db2.gz PUZJMQIYZXRMEO-UHFFFAOYSA-N -1 0 303.340 -0.379 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N(CC(=O)[O-])CC2CC2)CC1 ZINC000036884569 545036283 /nfs/dbraw/zinc/03/62/83/545036283.db2.gz PQNXEEQWHDYREH-UHFFFAOYSA-N -1 0 318.395 -0.019 20 0 DBADRM Cc1cc(NC(=O)CN(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])O2)no1 ZINC000389477428 545037938 /nfs/dbraw/zinc/03/79/38/545037938.db2.gz WOBRBDZJCZMPFX-RKDXNWHRSA-N -1 0 311.294 -0.566 20 0 DBADRM Cn1nccc1[C@@H](NS(=O)(=O)N1CCCCC1)C(=O)[O-] ZINC000402647029 265721998 /nfs/dbraw/zinc/72/19/98/265721998.db2.gz KHXVBMFBWGSNOL-SNVBAGLBSA-N -1 0 302.356 -0.134 20 0 DBADRM COCCS(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417444249 265745018 /nfs/dbraw/zinc/74/50/18/265745018.db2.gz CHJRXLJVXUDDJV-UWVGGRQHSA-N -1 0 322.383 -0.738 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000420527060 265860009 /nfs/dbraw/zinc/86/00/09/265860009.db2.gz DEBJIUCBZDJWIG-VIFPVBQESA-N -1 0 302.327 -0.377 20 0 DBADRM COC(=O)Cc1[n-][nH]c(=O)c1C(=O)Nc1cccnc1OC ZINC000421813577 265860735 /nfs/dbraw/zinc/86/07/35/265860735.db2.gz OHOAOOLZVBPOPQ-SNVBAGLBSA-N -1 0 306.278 -0.306 20 0 DBADRM COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)NCCC(=O)[O-])C2 ZINC000420562039 265860858 /nfs/dbraw/zinc/86/08/58/265860858.db2.gz PBLRPFNOGDLQOI-SNVBAGLBSA-N -1 0 322.317 -0.294 20 0 DBADRM CCN1CCCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC1=O ZINC000422894685 265883900 /nfs/dbraw/zinc/88/39/00/265883900.db2.gz CVSRQEHMLAPKPO-JTQLQIEISA-N -1 0 313.354 -0.754 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CCO1 ZINC000422936861 265883973 /nfs/dbraw/zinc/88/39/73/265883973.db2.gz NDKGTULIPCHJSG-JRPNMDOOSA-N -1 0 310.350 -0.053 20 0 DBADRM COC1CCN(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000424374149 265930734 /nfs/dbraw/zinc/93/07/34/265930734.db2.gz YQUBDYCECJBLBO-SNVBAGLBSA-N -1 0 320.367 -0.599 20 0 DBADRM CCCCOCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424396321 265931148 /nfs/dbraw/zinc/93/11/48/265931148.db2.gz QHQSKLORMILHCN-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM Cc1nc2ccc(N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)nn2n1 ZINC000424477067 265936452 /nfs/dbraw/zinc/93/64/52/265936452.db2.gz VDXFCKKIOSXTKQ-QMMMGPOBSA-N -1 0 311.323 -0.879 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NCC(=O)NCC1CC1)C(=O)[O-] ZINC000424485825 265936629 /nfs/dbraw/zinc/93/66/29/265936629.db2.gz ZQTPAKWNMUQWRF-UHFFFAOYSA-N -1 0 313.354 -0.754 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424478143 265936768 /nfs/dbraw/zinc/93/67/68/265936768.db2.gz FVJMIOZAURJNIE-AWEZNQCLSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CCO1 ZINC000424488865 265937760 /nfs/dbraw/zinc/93/77/60/265937760.db2.gz NLYBEIYOWQLUCC-VHSXEESVSA-N -1 0 316.354 -0.788 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)c1cc(N2CCOCC2)ccn1 ZINC000430332314 266002295 /nfs/dbraw/zinc/00/22/95/266002295.db2.gz YJWAIKTYVCADQJ-UHFFFAOYSA-N -1 0 315.337 -0.150 20 0 DBADRM C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)C[C@H]1O ZINC000435699386 266063193 /nfs/dbraw/zinc/06/31/93/266063193.db2.gz XOZODZOPLZDQTA-VXGBXAGGSA-N -1 0 322.317 -0.414 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)COc2ccc(O)cc2)n[n-]1 ZINC000435676662 266063236 /nfs/dbraw/zinc/06/32/36/266063236.db2.gz WVJZKJHIQGIYPJ-UHFFFAOYSA-N -1 0 312.307 -0.069 20 0 DBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cncc(F)c2)n1 ZINC000437304394 266074629 /nfs/dbraw/zinc/07/46/29/266074629.db2.gz LRPVDLJKNQCELS-UHFFFAOYSA-N -1 0 315.286 -0.214 20 0 DBADRM NC(=O)CCn1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)n1 ZINC000437675710 266075679 /nfs/dbraw/zinc/07/56/79/266075679.db2.gz RTQSVDONAZAMBJ-UHFFFAOYSA-N -1 0 324.366 -0.298 20 0 DBADRM COCCCN(CCO)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000438529127 266081533 /nfs/dbraw/zinc/08/15/33/266081533.db2.gz CJPGHIXSCGMDDI-UHFFFAOYSA-N -1 0 322.321 -0.093 20 0 DBADRM CC[C@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)N1CCCC1=O ZINC000439153721 266087944 /nfs/dbraw/zinc/08/79/44/266087944.db2.gz PTMJOKMGPNVIAG-SSDOTTSWSA-N -1 0 315.355 -0.452 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2cnc(C(=O)[O-])cn2)CC1=O ZINC000439925771 266094097 /nfs/dbraw/zinc/09/40/97/266094097.db2.gz CFAIIKDIZXZNAJ-FYBVGQRMSA-N -1 0 304.306 -0.086 20 0 DBADRM COCCN([C@@H](C)C(N)=O)S(=O)(=O)[N-]CC(F)(F)F ZINC000442948919 266133883 /nfs/dbraw/zinc/13/38/83/266133883.db2.gz XWFKNFOGPLIDSH-LURJTMIESA-N -1 0 307.294 -0.795 20 0 DBADRM COC[C@](C)(CC(=O)OC)NS(=O)(=O)[N-]CC(F)(F)F ZINC000443009730 266133626 /nfs/dbraw/zinc/13/36/26/266133626.db2.gz ZSEAEKPKBQVKDU-QMMMGPOBSA-N -1 0 322.305 -0.059 20 0 DBADRM COC(=O)C[C@@]1(NS(=O)(=O)[N-]CC(F)(F)F)CCOC1 ZINC000443053518 266134832 /nfs/dbraw/zinc/13/48/32/266134832.db2.gz XSPHTPMIRQZMIM-QMMMGPOBSA-N -1 0 320.289 -0.305 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000443048918 266135206 /nfs/dbraw/zinc/13/52/06/266135206.db2.gz RVFRVCRONYLGPN-SSDOTTSWSA-N -1 0 324.346 -0.108 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)[N-]CC(F)(F)F)O1 ZINC000443030122 266135728 /nfs/dbraw/zinc/13/57/28/266135728.db2.gz XLLBVSQOBUVGKG-WDSKDSINSA-N -1 0 305.278 -0.994 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000443209776 266138620 /nfs/dbraw/zinc/13/86/20/266138620.db2.gz UEOUDBLFSRWYQB-QMMMGPOBSA-N -1 0 303.306 -0.159 20 0 DBADRM Cn1cc(/C=C/C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000492136292 266153098 /nfs/dbraw/zinc/15/30/98/266153098.db2.gz HNPFLDVOHYHRCI-MBVDDHJVSA-N -1 0 321.333 -0.580 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000492217939 266155185 /nfs/dbraw/zinc/15/51/85/266155185.db2.gz LBZWIABRJZRDBS-JYESYGNLSA-N -1 0 323.349 -0.191 20 0 DBADRM C[C@H](CCC(=O)[O-])NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000492389941 266159943 /nfs/dbraw/zinc/15/99/43/266159943.db2.gz HCOYJCJXAJWZAH-SSJHQANKSA-N -1 0 309.322 -0.533 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)/C=C/c1cnc(OC)nc1 ZINC000492732967 266163906 /nfs/dbraw/zinc/16/39/06/266163906.db2.gz HAQSORNEVPMPIE-MOVJSRMASA-N -1 0 315.351 -0.021 20 0 DBADRM COc1ccc(/C=C/C(=O)[N-]S(=O)(=O)c2cnnn2C)nc1 ZINC000492681867 266164339 /nfs/dbraw/zinc/16/43/39/266164339.db2.gz YUPQEAGMGWHDBB-GQCTYLIASA-N -1 0 323.334 -0.263 20 0 DBADRM Cc1c(/C=C\C(=O)[N-]S(=O)(=O)c2cnnn2C)cnn1C ZINC000492743124 266164351 /nfs/dbraw/zinc/16/43/51/266164351.db2.gz XVTXUOBPCCFHMU-PLNGDYQASA-N -1 0 310.339 -0.625 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)/C=C/c1cnc(OC)nc1 ZINC000492714181 266164380 /nfs/dbraw/zinc/16/43/80/266164380.db2.gz XKQBABGUGYRUBF-SNAWJCMRSA-N -1 0 315.351 -0.019 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccncn1 ZINC000492759494 266165049 /nfs/dbraw/zinc/16/50/49/266165049.db2.gz IBNKJWJXBLTCQL-PLNGDYQASA-N -1 0 313.335 -0.111 20 0 DBADRM CN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(C)(C)C(=O)[O-] ZINC000493225260 266173433 /nfs/dbraw/zinc/17/34/33/266173433.db2.gz FEEMLCUTGWNQJM-VOTSOKGWSA-N -1 0 309.322 -0.581 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C\C2CC2)CC1 ZINC000493253757 266173624 /nfs/dbraw/zinc/17/36/24/266173624.db2.gz LSFAOZPUBOVZPX-PLNGDYQASA-N -1 0 301.368 -0.522 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)C=Cc1cscn1 ZINC000493402632 266174139 /nfs/dbraw/zinc/17/41/39/266174139.db2.gz QLODQOFNUVWGHC-FHKCNRDCSA-N -1 0 321.318 -0.051 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000493461929 266176686 /nfs/dbraw/zinc/17/66/86/266176686.db2.gz YCDSNFZHTJGISB-ZZKXABKFSA-N -1 0 319.317 -0.234 20 0 DBADRM O=C(C=Cc1cccnc1)NCC(=O)OCc1n[nH]c(=O)[n-]1 ZINC000493518558 266178201 /nfs/dbraw/zinc/17/82/01/266178201.db2.gz IIUTXTRMLFEXFR-ARJAWSKDSA-N -1 0 303.278 -0.222 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)NC[C@H](OC)C(=O)[O-])c1 ZINC000493754355 266180087 /nfs/dbraw/zinc/18/00/87/266180087.db2.gz YHOXBJRTHNKDLO-UFFNRZRYSA-N -1 0 307.306 -0.330 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000494009953 266185745 /nfs/dbraw/zinc/18/57/45/266185745.db2.gz SHQVROWITFYLDL-QMMMGPOBSA-N -1 0 309.344 -0.932 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000494400872 266193435 /nfs/dbraw/zinc/19/34/35/266193435.db2.gz WWKMUGTXVGEXOK-UHFFFAOYSA-N -1 0 316.291 -0.424 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000494708952 266195900 /nfs/dbraw/zinc/19/59/00/266195900.db2.gz FBBMIWFGDNSWGL-UHFFFAOYSA-N -1 0 314.319 -0.122 20 0 DBADRM CCCc1cc(=NC(=O)N=c2ncn(CC(=O)N(C)C)[n-]2)[nH][nH]1 ZINC000494719188 266196091 /nfs/dbraw/zinc/19/60/91/266196091.db2.gz KSBSTMAROVYRMA-UHFFFAOYSA-N -1 0 320.357 -0.470 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495153896 266200868 /nfs/dbraw/zinc/20/08/68/266200868.db2.gz JJZGGJBZQVWDGF-UHFFFAOYSA-N -1 0 322.383 -0.054 20 0 DBADRM C[C@H](CO[N-]C(=O)C1=NNC(=O)C1)NC(=O)OC(C)(C)C ZINC000495238057 266202624 /nfs/dbraw/zinc/20/26/24/266202624.db2.gz ODWYVGRWGZCYPY-SSDOTTSWSA-N -1 0 300.315 -0.177 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000495371598 266203496 /nfs/dbraw/zinc/20/34/96/266203496.db2.gz HJRBSZQTGJMQLK-QMMMGPOBSA-N -1 0 301.324 -0.228 20 0 DBADRM COC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000495331889 266203607 /nfs/dbraw/zinc/20/36/07/266203607.db2.gz RUAJSNIFJARRMF-UHFFFAOYSA-N -1 0 315.307 -0.590 20 0 DBADRM CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cc(=O)[nH][n-]1 ZINC000495330134 266204587 /nfs/dbraw/zinc/20/45/87/266204587.db2.gz CLJZZXWNSNADCT-UHFFFAOYSA-N -1 0 314.342 -0.792 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)CCCCOC ZINC000495449468 266205739 /nfs/dbraw/zinc/20/57/39/266205739.db2.gz XITXKUXRUKFHEM-UHFFFAOYSA-N -1 0 310.372 -0.005 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](CC)C(=O)[O-])CC1 ZINC000495488907 266206760 /nfs/dbraw/zinc/20/67/60/266206760.db2.gz ZADOSKLCEIVRQX-VIFPVBQESA-N -1 0 323.371 -0.542 20 0 DBADRM COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000495553280 266208665 /nfs/dbraw/zinc/20/86/65/266208665.db2.gz KMIUFABALZJGGO-UHFFFAOYSA-N -1 0 319.343 -0.902 20 0 DBADRM CCOC(=O)N1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC000495591391 266209999 /nfs/dbraw/zinc/20/99/99/266209999.db2.gz GEDVQQDWCBGJEA-UHFFFAOYSA-N -1 0 319.321 -0.063 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000495604335 266210273 /nfs/dbraw/zinc/21/02/73/266210273.db2.gz OSBSDCWAJORCDG-UHFFFAOYSA-N -1 0 301.324 -0.274 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC ZINC000495650703 266211913 /nfs/dbraw/zinc/21/19/13/266211913.db2.gz JTQLVPZPLJGSTP-FXQIFTODSA-N -1 0 324.355 -0.626 20 0 DBADRM CC(C)(C)OC(=O)NCCNC(=O)C(=O)[N-]O[C@H]1CCOC1 ZINC000495665686 266213692 /nfs/dbraw/zinc/21/36/92/266213692.db2.gz WIZHMXJWFQGOEO-VIFPVBQESA-N -1 0 317.342 -0.536 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)CCOC(C)(C)C ZINC000495922076 266222056 /nfs/dbraw/zinc/22/20/56/266222056.db2.gz NSOARPXEFNXDPF-QMMMGPOBSA-N -1 0 310.372 -0.008 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000495989053 266223498 /nfs/dbraw/zinc/22/34/98/266223498.db2.gz BNJCBXDUZAEJQK-UHFFFAOYSA-N -1 0 304.328 -0.768 20 0 DBADRM CC(C)NC(=O)OC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000496254917 266231178 /nfs/dbraw/zinc/23/11/78/266231178.db2.gz OKIOTXHRWYFOTE-UHFFFAOYSA-N -1 0 319.321 -0.018 20 0 DBADRM C[C@H]1OC(=O)N[C@@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000496518098 266237512 /nfs/dbraw/zinc/23/75/12/266237512.db2.gz ILRJYPBAXONQHE-DMTCNVIQSA-N -1 0 321.340 -0.655 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C ZINC000496815330 266246737 /nfs/dbraw/zinc/24/67/37/266246737.db2.gz NOPORPVFBILIOD-UHFFFAOYSA-N -1 0 319.358 -0.336 20 0 DBADRM COC(=O)N1CCN(C(=O)C(=O)N(C)CCCC(=O)[O-])CC1 ZINC000496871580 266248367 /nfs/dbraw/zinc/24/83/67/266248367.db2.gz BCNAOJPRVYWVST-UHFFFAOYSA-N -1 0 315.326 -0.780 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)OC[C@H]1CCCO1 ZINC000496987626 266252055 /nfs/dbraw/zinc/25/20/55/266252055.db2.gz TVQUISGHSIPDSP-HTQZYQBOSA-N -1 0 312.282 -0.432 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)CCc1cccs1 ZINC000514733387 266262646 /nfs/dbraw/zinc/26/26/46/266262646.db2.gz JJYRJPVIJATYMB-UHFFFAOYSA-N -1 0 320.392 -0.199 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NC[C@@H](O)C(=O)[O-])CCCCC1 ZINC000514872902 266265972 /nfs/dbraw/zinc/26/59/72/266265972.db2.gz IYGIDAIMDAZCBR-SECBINFHSA-N -1 0 323.367 -0.525 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@H](C(=O)[O-])C(C)C)CC1 ZINC000514941852 266267672 /nfs/dbraw/zinc/26/76/72/266267672.db2.gz JAVRXACTGFARLR-SNVBAGLBSA-N -1 0 306.384 -0.163 20 0 DBADRM COCC1(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000514941822 266267834 /nfs/dbraw/zinc/26/78/34/266267834.db2.gz HZNOORNAWVYQRV-SECBINFHSA-N -1 0 320.367 -0.982 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-] ZINC000515173674 266268918 /nfs/dbraw/zinc/26/89/18/266268918.db2.gz MNKJFRFBWZBDEU-KOLCDFICSA-N -1 0 318.351 -0.017 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000515176340 266269040 /nfs/dbraw/zinc/26/90/40/266269040.db2.gz JKZPLVRKJZRMMU-UWVGGRQHSA-N -1 0 322.383 -0.688 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)NCCCC(=O)[O-])C2=O)n(C)n1 ZINC000515379877 266272060 /nfs/dbraw/zinc/27/20/60/266272060.db2.gz YWPZHCCUUNOPEE-SNVBAGLBSA-N -1 0 323.353 -0.002 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H](C(=O)[O-])C(C)C ZINC000516071206 266276438 /nfs/dbraw/zinc/27/64/38/266276438.db2.gz FZWOKEABGATPRN-VHSXEESVSA-N -1 0 306.384 -0.117 20 0 DBADRM Cc1nc(=NC(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)o[n-]1 ZINC000515983038 266276588 /nfs/dbraw/zinc/27/65/88/266276588.db2.gz QKGRHBHJQHGOAE-UHFFFAOYSA-N -1 0 321.318 -0.336 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](C(=O)[O-])C(C)C ZINC000516071205 266276801 /nfs/dbraw/zinc/27/68/01/266276801.db2.gz FZWOKEABGATPRN-UWVGGRQHSA-N -1 0 306.384 -0.117 20 0 DBADRM COCC1(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)CC1 ZINC000516179514 266277515 /nfs/dbraw/zinc/27/75/15/266277515.db2.gz WNTZWNMBDRFSOF-ZJUUUORDSA-N -1 0 307.368 -0.035 20 0 DBADRM COCC1(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)CC1 ZINC000516179512 266279019 /nfs/dbraw/zinc/27/90/19/266279019.db2.gz WNTZWNMBDRFSOF-UWVGGRQHSA-N -1 0 307.368 -0.035 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000516299474 266279801 /nfs/dbraw/zinc/27/98/01/266279801.db2.gz URDUICYTXMDPEO-UHFFFAOYSA-N -1 0 300.336 -0.272 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000516563614 266281615 /nfs/dbraw/zinc/28/16/15/266281615.db2.gz MLDKMSNJTLUWKS-VHSXEESVSA-N -1 0 317.367 -0.113 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000516872302 266287151 /nfs/dbraw/zinc/28/71/51/266287151.db2.gz UYCFLEQMKIIVBC-GFCCVEGCSA-N -1 0 317.305 -0.104 20 0 DBADRM CN(C)C(=O)COc1cccc(CNC(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000517099048 266289401 /nfs/dbraw/zinc/28/94/01/266289401.db2.gz BUMMTGHLSDRBTI-UHFFFAOYSA-N -1 0 319.321 -0.093 20 0 DBADRM O=C([O-])CC1(NS(=O)(=O)c2cnn3c2OCCC3)CC1 ZINC000517239749 266292083 /nfs/dbraw/zinc/29/20/83/266292083.db2.gz SXULVXJXLAHQID-UHFFFAOYSA-N -1 0 301.324 -0.049 20 0 DBADRM COc1ccccc1OCCNC(=O)C(=O)NCCC(=O)[O-] ZINC000517548980 266294588 /nfs/dbraw/zinc/29/45/88/266294588.db2.gz KGHCGPVTPKBISU-UHFFFAOYSA-N -1 0 310.306 -0.219 20 0 DBADRM O=C(CNC(=O)c1ccc(O)cc1)NC[C@@H](CO)[C@@H]1CCOC1 ZINC000517648289 266294784 /nfs/dbraw/zinc/29/47/84/266294784.db2.gz CXXBZYDFOVQBDS-OLZOCXBDSA-N -1 0 322.361 -0.117 20 0 DBADRM C[C@@H](COC1CCCC1)CS(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000517747674 266296639 /nfs/dbraw/zinc/29/66/39/266296639.db2.gz BMGCRJYZDYQEQU-GXSJLCMTSA-N -1 0 309.384 -0.053 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000517906799 266297714 /nfs/dbraw/zinc/29/77/14/266297714.db2.gz IGLPWKWHJOMWCV-IUCAKERBSA-N -1 0 303.340 -0.503 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)NC2CC2)C1=O ZINC000518139413 266297939 /nfs/dbraw/zinc/29/79/39/266297939.db2.gz IUYIOGIRYNAULP-ZJUUUORDSA-N -1 0 319.383 -0.717 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)NC2CC2)C1=O ZINC000518139410 266298201 /nfs/dbraw/zinc/29/82/01/266298201.db2.gz IUYIOGIRYNAULP-NXEZZACHSA-N -1 0 319.383 -0.717 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)C1 ZINC000518796893 266304860 /nfs/dbraw/zinc/30/48/60/266304860.db2.gz CYRSJRSLDPPESC-OUAUKWLOSA-N -1 0 306.384 -0.270 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000519616325 266311718 /nfs/dbraw/zinc/31/17/18/266311718.db2.gz FZEBMRMCMNIHJU-MRVPVSSYSA-N -1 0 303.340 -0.403 20 0 DBADRM CO[C@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000519764510 266315210 /nfs/dbraw/zinc/31/52/10/266315210.db2.gz AVXDOZPOPXOAGP-ZJUUUORDSA-N -1 0 317.367 -0.019 20 0 DBADRM COc1cc(CC(=O)NC[C@](C)(O)C(=O)[O-])cc(OC)c1O ZINC000521044046 266324351 /nfs/dbraw/zinc/32/43/51/266324351.db2.gz PAHKFUIFJKDGSB-AWEZNQCLSA-N -1 0 313.306 -0.096 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)Cc1cccc(F)c1F)C(=O)[O-] ZINC000521443951 266327590 /nfs/dbraw/zinc/32/75/90/266327590.db2.gz JBBOSJIIIAGOFN-QMMMGPOBSA-N -1 0 322.289 -0.287 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000523124207 266338293 /nfs/dbraw/zinc/33/82/93/266338293.db2.gz SFRYXDGXFUCOKG-UHFFFAOYSA-N -1 0 317.305 -0.186 20 0 DBADRM CN1CCN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CC1=O ZINC000525494595 266345000 /nfs/dbraw/zinc/34/50/00/266345000.db2.gz HBUWMLLNXAPYQX-UHFFFAOYSA-N -1 0 302.290 -0.056 20 0 DBADRM COC1CCN(C(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])CC1 ZINC000527067427 266352857 /nfs/dbraw/zinc/35/28/57/266352857.db2.gz CCSLLHNMULNBJV-WVDJIFEKSA-N -1 0 304.368 -0.265 20 0 DBADRM COC1CCN(C(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])CC1 ZINC000527067426 266354077 /nfs/dbraw/zinc/35/40/77/266354077.db2.gz CCSLLHNMULNBJV-SBKAZYGRSA-N -1 0 304.368 -0.265 20 0 DBADRM Cc1cncn1CC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000528993696 266382406 /nfs/dbraw/zinc/38/24/06/266382406.db2.gz QOEXFPCFDYRBJC-UHFFFAOYSA-N -1 0 309.351 -0.161 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cnn(CCCOC)c1 ZINC000528958777 266382462 /nfs/dbraw/zinc/38/24/62/266382462.db2.gz QSNFQRFLAPLMHK-UHFFFAOYSA-N -1 0 304.372 -0.154 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1COCCO1 ZINC000529032611 266382583 /nfs/dbraw/zinc/38/25/83/266382583.db2.gz WKHIQVKXKNMHDL-IYKVGLELSA-N -1 0 321.395 -0.093 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000528958189 266382679 /nfs/dbraw/zinc/38/26/79/266382679.db2.gz BAMMNLWUYHRURY-UKKRHICBSA-N -1 0 306.384 -0.261 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000529016185 266382903 /nfs/dbraw/zinc/38/29/03/266382903.db2.gz URCXKLKYJVESBR-VIFPVBQESA-N -1 0 324.424 -0.344 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)CN2CCOCC2)CO1 ZINC000529112844 266383994 /nfs/dbraw/zinc/38/39/94/266383994.db2.gz CMNYALPOJGXSIM-JTQLQIEISA-N -1 0 306.384 -0.668 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)nnn1C ZINC000529111836 266384149 /nfs/dbraw/zinc/38/41/49/266384149.db2.gz WKMQDKHVMPMXNR-MRVPVSSYSA-N -1 0 302.356 -0.249 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)CO1 ZINC000529104217 266384203 /nfs/dbraw/zinc/38/42/03/266384203.db2.gz IZZIECKMWMMEDI-SNVBAGLBSA-N -1 0 314.363 -0.138 20 0 DBADRM CC1(c2nc(=NC(=O)C3(S(N)(=O)=O)CC3)s[n-]2)CC1 ZINC000529696623 266393846 /nfs/dbraw/zinc/39/38/46/266393846.db2.gz JPPZGOZLEKBSPJ-UHFFFAOYSA-N -1 0 302.381 -0.229 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)[O-])C2CC2)s1 ZINC000531747962 266429860 /nfs/dbraw/zinc/42/98/60/266429860.db2.gz DCPFWPJKBWRPFX-JTQLQIEISA-N -1 0 318.376 -0.083 20 0 DBADRM CC(=O)NC1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CCCCC1 ZINC000363518231 278080311 /nfs/dbraw/zinc/08/03/11/278080311.db2.gz SNRJRTWJSYHPCY-LLVKDONJSA-N -1 0 322.369 -0.061 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCCN1C(C)=O)[C@@H](C)C(=O)[O-] ZINC000262292733 278106814 /nfs/dbraw/zinc/10/68/14/278106814.db2.gz YVTNDPUYESGVNI-JOYOIKCWSA-N -1 0 313.354 -0.565 20 0 DBADRM CC(=O)N[C@H](CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)C(N)=O ZINC000341364037 278170198 /nfs/dbraw/zinc/17/01/98/278170198.db2.gz QWAYVVAKRGRLAI-RBZYPMLTSA-N -1 0 311.338 -0.920 20 0 DBADRM CC(C)c1[n-]n(C)c(=O)c1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000270983150 278706732 /nfs/dbraw/zinc/70/67/32/278706732.db2.gz DYCGLYJYBHKIEL-DTWKUNHWSA-N -1 0 301.368 -0.610 20 0 DBADRM CC(C)CN1CCN(C(=O)C(=O)NCCC(=O)[O-])[C@@H](C)C1=O ZINC000420604566 278886105 /nfs/dbraw/zinc/88/61/05/278886105.db2.gz YMUBWWVYPJZDQF-JTQLQIEISA-N -1 0 313.354 -0.707 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2nccnc2N)C1=O ZINC000358705963 279800024 /nfs/dbraw/zinc/80/00/24/279800024.db2.gz CCEQWICXXJABBB-SCZZXKLOSA-N -1 0 321.337 -0.501 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cn(C)cn2)C1=O ZINC000343989045 280189037 /nfs/dbraw/zinc/18/90/37/280189037.db2.gz PHKAFOCLQZWXFQ-GXSJLCMTSA-N -1 0 308.338 -0.140 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000085411904 281466253 /nfs/dbraw/zinc/46/62/53/281466253.db2.gz ZFSVHXCIXUQCPX-BDAKNGLRSA-N -1 0 304.368 -0.553 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CCCC[C@H]1C(=O)[O-] ZINC000262272683 293026146 /nfs/dbraw/zinc/02/61/46/293026146.db2.gz ISDJHGZCKBWBMM-UWVGGRQHSA-N -1 0 301.343 -0.214 20 0 DBADRM CN(CC(C)(C)O)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000331380067 289514775 /nfs/dbraw/zinc/51/47/75/289514775.db2.gz JGSRPSUUTSMLIJ-ZUZCIYMTSA-N -1 0 312.366 -0.071 20 0 DBADRM COC[C@@H](C)CS(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000263499124 292758963 /nfs/dbraw/zinc/75/89/63/292758963.db2.gz SFIJZIYUHZTTDH-ZJUUUORDSA-N -1 0 324.399 -0.490 20 0 DBADRM COC[C@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@H]1CCCO1 ZINC000420558285 293119366 /nfs/dbraw/zinc/11/93/66/293119366.db2.gz KVJCRXGEQDVVJT-GARJFASQSA-N -1 0 316.354 -0.524 20 0 DBADRM COC[C@](C)([N-]S(=O)(=O)C[C@H](C)C(=O)OC)C(=O)OC ZINC000340909130 293258468 /nfs/dbraw/zinc/25/84/68/293258468.db2.gz APBOKXMDLRTGIP-KWQFWETISA-N -1 0 311.356 -0.707 20 0 DBADRM COCc1nc(=N[C@@H]2CCN(CCC(=O)OC)C2=O)s[n-]1 ZINC000346699335 293327231 /nfs/dbraw/zinc/32/72/31/293327231.db2.gz NLTHGBMJPHUIRB-MRVPVSSYSA-N -1 0 314.367 -0.318 20 0 DBADRM CO[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)NC(C)C)C(=O)[O-] ZINC000263108375 293540495 /nfs/dbraw/zinc/54/04/95/293540495.db2.gz PKDGBPVYKAKSNN-UWVGGRQHSA-N -1 0 301.343 -0.215 20 0 DBADRM Cc1oc(C(=O)NC(C)(C)c2nnn[n-]2)cc1S(N)(=O)=O ZINC000446932790 294031361 /nfs/dbraw/zinc/03/13/61/294031361.db2.gz JOBCYLFPXSHFBB-UHFFFAOYSA-N -1 0 314.327 -0.586 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C(=O)[O-] ZINC000235637723 297056199 /nfs/dbraw/zinc/05/61/99/297056199.db2.gz HCPCPZSHGJZRIC-VPOLOUISSA-N -1 0 306.384 -0.007 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000332745702 304599187 /nfs/dbraw/zinc/59/91/87/304599187.db2.gz FUUZVBCZMDHAHE-WDEREUQCSA-N -1 0 315.333 -0.094 20 0 DBADRM C[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@]2(CCOC2)O1 ZINC000408326447 300206293 /nfs/dbraw/zinc/20/62/93/300206293.db2.gz MHFWQNSJAKISFX-XPTSAGLGSA-N -1 0 309.322 -0.494 20 0 DBADRM C[C@H]1CN(c2cnc(C(=O)[O-])cn2)CCN1S(C)(=O)=O ZINC000262968289 300301065 /nfs/dbraw/zinc/30/10/65/300301065.db2.gz AWEYMHYNJRSEBD-QMMMGPOBSA-N -1 0 300.340 -0.355 20 0 DBADRM C[C@](O)(CNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)[O-] ZINC000349051659 300737725 /nfs/dbraw/zinc/73/77/25/300737725.db2.gz VXHMLUDERRWTLC-QIBSRJKCSA-N -1 0 312.322 -0.887 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CC(=O)N(C)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000265771317 301145051 /nfs/dbraw/zinc/14/50/51/301145051.db2.gz DXLZQPWHCXBHQB-ZETCQYMHSA-N -1 0 317.305 -0.295 20 0 DBADRM Cn1nc(C(=O)N2CCOC[C@H]2C(=O)[O-])c(=O)c2ccccc21 ZINC000362710192 303041721 /nfs/dbraw/zinc/04/17/21/303041721.db2.gz DLYAJSNRPIVXNF-NSHDSACASA-N -1 0 317.301 -0.141 20 0 DBADRM NC(=O)COc1ccccc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262445761 303253617 /nfs/dbraw/zinc/25/36/17/303253617.db2.gz OZPQMDWINOWSFQ-JTQLQIEISA-N -1 0 322.317 -0.134 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000408477822 303300432 /nfs/dbraw/zinc/30/04/32/303300432.db2.gz HBUDLEGMBTYRPT-GMTAPVOTSA-N -1 0 318.395 -0.097 20 0 DBADRM O=C(N[C@H]1CCCC[C@@H]1O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000152049278 303952790 /nfs/dbraw/zinc/95/27/90/303952790.db2.gz ONGNKKMIJOPIKR-UWVGGRQHSA-N -1 0 304.306 -0.355 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCCS1(=O)=O)[C@@H](C)C(=O)[O-] ZINC000570527265 332768686 /nfs/dbraw/zinc/76/86/86/332768686.db2.gz KFFFOAQUYHLERF-WCBMZHEXSA-N -1 0 320.367 -0.999 20 0 DBADRM COCCOCC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000570725330 332807467 /nfs/dbraw/zinc/80/74/67/332807467.db2.gz SLTCVBIBTXGGJW-SNVBAGLBSA-N -1 0 312.326 -0.197 20 0 DBADRM COc1cc(OC)cc(N2CC[C@@H](N=c3nn[n-]n3C)C2=O)c1 ZINC000570746959 332810133 /nfs/dbraw/zinc/81/01/33/332810133.db2.gz WPUZPSJRHQGCJE-GFCCVEGCSA-N -1 0 318.337 -0.133 20 0 DBADRM CN(C[C@H]1CCOC1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000399641588 331483944 /nfs/dbraw/zinc/48/39/44/331483944.db2.gz XSURUIFMQLDCDZ-MNOVXSKESA-N -1 0 306.384 -0.004 20 0 DBADRM CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)CC2 ZINC000584052965 331655994 /nfs/dbraw/zinc/65/59/94/331655994.db2.gz ONRWXSLDHKIRFC-KXUCPTDWSA-N -1 0 308.338 -0.096 20 0 DBADRM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC000580069829 332925725 /nfs/dbraw/zinc/92/57/25/332925725.db2.gz AXJQPAHJGQOGNT-SSDOTTSWSA-N -1 0 322.364 -0.509 20 0 DBADRM COC(C)(C)CS(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000569488662 332103107 /nfs/dbraw/zinc/10/31/07/332103107.db2.gz DKGDFLQLRJXJRM-VIFPVBQESA-N -1 0 305.356 -0.250 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@H](F)C2)cn1C ZINC000584298474 332227087 /nfs/dbraw/zinc/22/70/87/332227087.db2.gz ORWRLYSFQNCLRK-JTQLQIEISA-N -1 0 318.374 -0.033 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000566237273 332272970 /nfs/dbraw/zinc/27/29/70/332272970.db2.gz OQUZQVWDIKDUHY-SNVBAGLBSA-N -1 0 312.244 -0.507 20 0 DBADRM COC[C@](C)([N-]S(=O)(=O)C[C@@H](OC)C1CC1)C(=O)OC ZINC000583378619 332373675 /nfs/dbraw/zinc/37/36/75/332373675.db2.gz BJHRAYZACNEFRG-PWSUYJOCSA-N -1 0 309.384 -0.091 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)cn1 ZINC000572637030 332709671 /nfs/dbraw/zinc/70/96/71/332709671.db2.gz LQSULYIETRYKJT-HBNTYKKESA-N -1 0 315.351 -0.187 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)CC1CC(F)(F)C1)[C@@H](C)O ZINC000570107798 332713223 /nfs/dbraw/zinc/71/32/23/332713223.db2.gz PTBCNWPFAUVQMT-HTRCEHHLSA-N -1 0 301.311 -0.127 20 0 DBADRM CCOC[C@H](NS(=O)(=O)CCOC(F)(F)F)C(=O)[O-] ZINC000570210629 332726020 /nfs/dbraw/zinc/72/60/20/332726020.db2.gz CYNXQNFHHDEHDY-LURJTMIESA-N -1 0 309.262 -0.068 20 0 DBADRM CCCN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000580149617 332963579 /nfs/dbraw/zinc/96/35/79/332963579.db2.gz AQIRCWDRBVIKFC-ZYHUDNBSSA-N -1 0 306.384 -0.004 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@@H]2COCCO2)c1 ZINC000580311679 333094589 /nfs/dbraw/zinc/09/45/89/333094589.db2.gz NKTVAZGGLMYRNL-LLVKDONJSA-N -1 0 308.290 -0.145 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C(=O)[O-])C(C)C)C1 ZINC000580327425 333192543 /nfs/dbraw/zinc/19/25/43/333192543.db2.gz KYTSMBXOUZLZTG-VHSXEESVSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C([O-])[C@@H](CO)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000313268857 333333975 /nfs/dbraw/zinc/33/39/75/333333975.db2.gz AKQMPRACQWFEDL-ZCFIWIBFSA-N -1 0 308.243 -0.542 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CF)C2)C[C@@H]1C(=O)[O-] ZINC000567875324 333395998 /nfs/dbraw/zinc/39/59/98/333395998.db2.gz BYYQORYIVSLHDA-VWYCJHECSA-N -1 0 316.329 -0.248 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)NC[C@H]2COCCO2)c1 ZINC000571163785 333673122 /nfs/dbraw/zinc/67/31/22/333673122.db2.gz KKVKEBLQJBOTLL-VIFPVBQESA-N -1 0 302.308 -0.527 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000572838654 333690654 /nfs/dbraw/zinc/69/06/54/333690654.db2.gz GFYCJNVOHHQPLR-SECBINFHSA-N -1 0 313.397 -0.453 20 0 DBADRM C/C=C/C[C@H](NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-] ZINC000571400262 333782422 /nfs/dbraw/zinc/78/24/22/333782422.db2.gz IXILBXQYDVXSEJ-ZWNMCFTASA-N -1 0 324.399 -0.165 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000571404174 333783797 /nfs/dbraw/zinc/78/37/97/333783797.db2.gz QTHYOCMUJKHWJD-VFZGTOFNSA-N -1 0 322.317 -0.021 20 0 DBADRM CO[C@@H](CNS(=O)(=O)CCOC(F)(F)F)CC(=O)[O-] ZINC000582154096 334605581 /nfs/dbraw/zinc/60/55/81/334605581.db2.gz BJNHQFQBCJHGAA-ZCFIWIBFSA-N -1 0 309.262 -0.068 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1cnn(C)c1C ZINC000582217536 336002658 /nfs/dbraw/zinc/00/26/58/336002658.db2.gz CUZUXNXAPFRFCS-UHFFFAOYSA-N -1 0 305.356 -0.160 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)C2(C(=O)[O-])CCCC2)CC1 ZINC000583633341 336008636 /nfs/dbraw/zinc/00/86/36/336008636.db2.gz AMLXKQFTUOQDHQ-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM C[C@H]1CN(S(=O)(=O)NCCSCC(=O)[O-])C[C@H](C)O1 ZINC000389497036 336396355 /nfs/dbraw/zinc/39/63/55/336396355.db2.gz ZNXSKSCWCKYWHX-IUCAKERBSA-N -1 0 312.413 -0.252 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000390390128 336937323 /nfs/dbraw/zinc/93/73/23/336937323.db2.gz PQWRRPOMDPRDFV-ZCFIWIBFSA-N -1 0 317.314 -0.667 20 0 DBADRM CC1CCN(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])CC1 ZINC000019988472 337085934 /nfs/dbraw/zinc/08/59/34/337085934.db2.gz PGOLDSWSTWNHGA-VIFPVBQESA-N -1 0 307.372 -0.729 20 0 DBADRM CC[C@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000582543598 337102873 /nfs/dbraw/zinc/10/28/73/337102873.db2.gz DLGPENNOKLJMPH-QMMMGPOBSA-N -1 0 315.413 -0.018 20 0 DBADRM NS(=O)(=O)C1(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)CC1 ZINC000582550625 337104080 /nfs/dbraw/zinc/10/40/80/337104080.db2.gz BMJCVSYTTKJYJY-UHFFFAOYSA-N -1 0 323.334 -0.063 20 0 DBADRM Cc1c(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)cnn1C ZINC000394215697 337106799 /nfs/dbraw/zinc/10/67/99/337106799.db2.gz HYHGHCCUYHSYQB-VIFPVBQESA-N -1 0 303.340 -0.407 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000394217598 337106867 /nfs/dbraw/zinc/10/68/67/337106867.db2.gz HKWHVVLLZNHQSS-LLVKDONJSA-N -1 0 303.340 -0.468 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000582664778 337117982 /nfs/dbraw/zinc/11/79/82/337117982.db2.gz JVTLUUIQPLZPQG-UHFFFAOYSA-N -1 0 317.367 -0.017 20 0 DBADRM O=C([O-])c1cnc(N2CCC[C@@](O)(Cn3ccnn3)C2)nc1 ZINC000582967182 337223683 /nfs/dbraw/zinc/22/36/83/337223683.db2.gz BPDKNHHENJBESA-ZDUSSCGKSA-N -1 0 304.310 -0.202 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000583025114 337226832 /nfs/dbraw/zinc/22/68/32/337226832.db2.gz UDVHFAIHYXOIQL-VIFPVBQESA-N -1 0 311.338 -0.114 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N(C)[C@H](C)CC(=O)[O-] ZINC000583095990 337240536 /nfs/dbraw/zinc/24/05/36/337240536.db2.gz XQTUQIDJCTXMLC-SECBINFHSA-N -1 0 310.372 -0.736 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000583138567 337248341 /nfs/dbraw/zinc/24/83/41/337248341.db2.gz AEMIKUGDFSXWFR-PWSUYJOCSA-N -1 0 307.368 -0.224 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)Cc1cccc(F)c1F)C(=O)[O-] ZINC000584414130 337321946 /nfs/dbraw/zinc/32/19/46/337321946.db2.gz JBBOSJIIIAGOFN-MRVPVSSYSA-N -1 0 322.289 -0.287 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000021057864 337333586 /nfs/dbraw/zinc/33/35/86/337333586.db2.gz ASORQAAKPDPLHO-VIFPVBQESA-N -1 0 313.339 -0.276 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1)C(=O)[O-] ZINC000583812536 337337379 /nfs/dbraw/zinc/33/73/79/337337379.db2.gz KCWCPFLLQGQSKX-MRVPVSSYSA-N -1 0 324.293 -0.893 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC000021793734 337337948 /nfs/dbraw/zinc/33/79/48/337337948.db2.gz KYZBIDJHKIPASO-KOLCDFICSA-N -1 0 316.383 -0.028 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000022158192 337342895 /nfs/dbraw/zinc/34/28/95/337342895.db2.gz KKFXCLTTYAWFLJ-QMMMGPOBSA-N -1 0 315.351 -0.391 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000584472537 337345662 /nfs/dbraw/zinc/34/56/62/337345662.db2.gz SYWJVQBEKSYWPV-AWEZNQCLSA-N -1 0 311.338 -0.066 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000035784395 337349820 /nfs/dbraw/zinc/34/98/20/337349820.db2.gz DEWIZQQNTQDQOQ-BDAKNGLRSA-N -1 0 303.340 -0.234 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1 ZINC000036983305 337361680 /nfs/dbraw/zinc/36/16/80/337361680.db2.gz LAGKXRQONZMIMM-GWOFURMSSA-N -1 0 306.384 -0.271 20 0 DBADRM CCCN(CCC)S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000037462968 337363967 /nfs/dbraw/zinc/36/39/67/337363967.db2.gz KPIPGQMTAJXAJW-VIFPVBQESA-N -1 0 309.388 -0.339 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000037932303 337368924 /nfs/dbraw/zinc/36/89/24/337368924.db2.gz KXSJESNRWIENGY-SNVBAGLBSA-N -1 0 322.383 -0.087 20 0 DBADRM COC[C@H](CCO)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000571880577 337580763 /nfs/dbraw/zinc/58/07/63/337580763.db2.gz GNXMKRIXMBTMHD-NSHDSACASA-N -1 0 310.306 -0.163 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000572165127 337594594 /nfs/dbraw/zinc/59/45/94/337594594.db2.gz MAGSTFFLGAPXGX-CBAPKCEASA-N -1 0 308.381 -0.253 20 0 DBADRM COC[C@@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)C(=O)[O-] ZINC000572224263 337598427 /nfs/dbraw/zinc/59/84/27/337598427.db2.gz ZIKVSAMYHXQMRE-GHMZBOCLSA-N -1 0 323.353 -0.156 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000572286088 337604876 /nfs/dbraw/zinc/60/48/76/337604876.db2.gz SGKMLIFWQUQLJY-VWYCJHECSA-N -1 0 300.355 -0.215 20 0 DBADRM N#CCCCCS(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000547574211 341222361 /nfs/dbraw/zinc/22/23/61/341222361.db2.gz CRSYLJYOSOTGLZ-SNVBAGLBSA-N -1 0 317.367 -0.467 20 0 DBADRM N=c1nc(N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)nc2[nH][nH]cc1-2 ZINC000566104001 341547746 /nfs/dbraw/zinc/54/77/46/341547746.db2.gz WJOUPLBBKVAIQN-ZCFIWIBFSA-N -1 0 315.297 -0.542 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000566118733 341548205 /nfs/dbraw/zinc/54/82/05/341548205.db2.gz YTIQYDATFGPJBC-PSASIEDQSA-N -1 0 303.340 -0.422 20 0 DBADRM CSc1nc(=NC(=O)N[C@H]2CCC(=O)N(C)C2=O)s[n-]1 ZINC000566144474 341549006 /nfs/dbraw/zinc/54/90/06/341549006.db2.gz SJWLRBDQEDXFTD-YFKPBYRVSA-N -1 0 315.380 -0.049 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000566236699 341551462 /nfs/dbraw/zinc/55/14/62/341551462.db2.gz ITZTULVNJTVKMK-VIFPVBQESA-N -1 0 313.354 -0.565 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCc2ccn(C)n2)C[C@H]1C(=O)[O-] ZINC000566243008 341551669 /nfs/dbraw/zinc/55/16/69/341551669.db2.gz QKWZBTBXXJLUGB-ZYHUDNBSSA-N -1 0 322.365 -0.352 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCc2ncn(C)n2)C[C@H]1C(=O)[O-] ZINC000566241036 341551723 /nfs/dbraw/zinc/55/17/23/341551723.db2.gz QKAGDSJUDMZCOG-DTWKUNHWSA-N -1 0 309.326 -1.000 20 0 DBADRM O=C([O-])C[C@@H]1CN(c2ccnc(N3CCOCC3)n2)CCO1 ZINC000566297788 341553201 /nfs/dbraw/zinc/55/32/01/341553201.db2.gz RCIOJMRJIYYTCR-LLVKDONJSA-N -1 0 308.338 -0.007 20 0 DBADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000566572921 341562209 /nfs/dbraw/zinc/56/22/09/341562209.db2.gz MBEMGSGNVFKZIU-JTQLQIEISA-N -1 0 311.338 -0.495 20 0 DBADRM CC[C@@H](NC(=O)c1cc(OC)c(S(N)(=O)=O)s1)C(=O)[O-] ZINC000566916134 341571579 /nfs/dbraw/zinc/57/15/79/341571579.db2.gz VGKVSHJTTJJFQL-RXMQYKEDSA-N -1 0 322.364 -0.003 20 0 DBADRM O=C(CSc1nnc2ccccn21)NCCc1nc(=O)o[n-]1 ZINC000567213375 341588187 /nfs/dbraw/zinc/58/81/87/341588187.db2.gz KHYFSWKWYSRGNE-UHFFFAOYSA-N -1 0 320.334 -0.143 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000567324172 341594837 /nfs/dbraw/zinc/59/48/37/341594837.db2.gz QZVPSUBIFNWZMG-NXEZZACHSA-N -1 0 305.356 -0.401 20 0 DBADRM CCOC(=O)Cn1cnc(=NC(=O)N=c2cc(OC)n(C)[nH]2)[n-]1 ZINC000567733473 341630538 /nfs/dbraw/zinc/63/05/38/341630538.db2.gz UZRUAILZAIIADS-UHFFFAOYSA-N -1 0 323.313 -0.929 20 0 DBADRM C[C@@H]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)C[C@H]1C(=O)[O-] ZINC000567866305 341637675 /nfs/dbraw/zinc/63/76/75/341637675.db2.gz SNQOQXMFNXUWMP-HTQZYQBOSA-N -1 0 321.337 -0.080 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000567866287 341637779 /nfs/dbraw/zinc/63/77/79/341637779.db2.gz SFACXTVXAAPTAD-ZJUUUORDSA-N -1 0 313.354 -0.850 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC(C)(C)[C@H]1C(=O)[O-] ZINC000568000918 341644873 /nfs/dbraw/zinc/64/48/73/341644873.db2.gz FMBKNISFOZJPJO-RKDXNWHRSA-N -1 0 306.384 -0.022 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccsc1C(=O)OC)C(=O)[O-] ZINC000158595745 341659965 /nfs/dbraw/zinc/65/99/65/341659965.db2.gz SZVYGDHUYGFOOB-LURJTMIESA-N -1 0 323.348 -0.087 20 0 DBADRM COC(=O)c1ccc(F)cc1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000568258296 341661736 /nfs/dbraw/zinc/66/17/36/341661736.db2.gz FQCOGLKWHLEGEH-MRVPVSSYSA-N -1 0 321.282 -0.664 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000568769544 341681082 /nfs/dbraw/zinc/68/10/82/341681082.db2.gz YLHLVNZWMFFZRI-GUBZILKMSA-N -1 0 306.384 -0.022 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCn3ncnc3C2)C[C@@H]1C(=O)[O-] ZINC000569103489 341690813 /nfs/dbraw/zinc/69/08/13/341690813.db2.gz IVNXBJJGZHPDKZ-UWVGGRQHSA-N -1 0 321.337 -0.811 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(c3cncc4nncn43)C2)nn1 ZINC000573476509 341729462 /nfs/dbraw/zinc/72/94/62/341729462.db2.gz LVOTUOVWXQCCFD-QMMMGPOBSA-N -1 0 300.282 -0.135 20 0 DBADRM Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)nn1 ZINC000573653727 341734995 /nfs/dbraw/zinc/73/49/95/341734995.db2.gz VOFYJMUEKIAELV-UHFFFAOYSA-N -1 0 307.335 -0.098 20 0 DBADRM CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000573689360 341736073 /nfs/dbraw/zinc/73/60/73/341736073.db2.gz QFQRVCULHZLCIJ-OPRDCNLKSA-N -1 0 306.384 -0.022 20 0 DBADRM CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000573689358 341736151 /nfs/dbraw/zinc/73/61/51/341736151.db2.gz QFQRVCULHZLCIJ-KXUCPTDWSA-N -1 0 306.384 -0.022 20 0 DBADRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](O)Cn1ccnn1 ZINC000573863489 341741485 /nfs/dbraw/zinc/74/14/85/341741485.db2.gz ROILVWHFCMVMHP-BQBZGAKWSA-N -1 0 302.278 -0.491 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000574210893 341752016 /nfs/dbraw/zinc/75/20/16/341752016.db2.gz RALJZBLTUOUAGL-FXBDTBDDSA-N -1 0 303.340 -0.357 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)N1CC[C@H](C)C1)C(=O)[O-] ZINC000574714776 341766862 /nfs/dbraw/zinc/76/68/62/341766862.db2.gz ZUIGTMJZMXTKKI-UWVGGRQHSA-N -1 0 322.383 -0.041 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000576226626 341834836 /nfs/dbraw/zinc/83/48/36/341834836.db2.gz OCQUVSANGAFZEW-UWVGGRQHSA-N -1 0 323.353 -0.451 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000576276924 341837551 /nfs/dbraw/zinc/83/75/51/341837551.db2.gz GEPBIAGRFJELEX-UHFFFAOYSA-N -1 0 307.372 -0.472 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC000580659164 341893743 /nfs/dbraw/zinc/89/37/43/341893743.db2.gz IBFYDRGMKDVLHS-MGCOHNPYSA-N -1 0 304.368 -0.363 20 0 DBADRM CSC[C@@](C)(O)CNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000577218991 341898053 /nfs/dbraw/zinc/89/80/53/341898053.db2.gz PSDNATZCSMLEIF-SCZZXKLOSA-N -1 0 312.413 -0.516 20 0 DBADRM C[C@](O)(CNC(=O)CNC(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000577279890 341902200 /nfs/dbraw/zinc/90/22/00/341902200.db2.gz PWVIACZNKBNDGE-ZDUSSCGKSA-N -1 0 316.260 -0.354 20 0 DBADRM Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)nn1 ZINC000577314936 341903903 /nfs/dbraw/zinc/90/39/03/341903903.db2.gz LDEBQQBPMLMAGP-UHFFFAOYSA-N -1 0 322.350 -0.194 20 0 DBADRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CCN(S(C)(=O)=O)C1 ZINC000577378802 341906850 /nfs/dbraw/zinc/90/68/50/341906850.db2.gz FRKOVHAUGGMBCX-BQBZGAKWSA-N -1 0 324.346 -0.110 20 0 DBADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CCN(S(C)(=O)=O)C1 ZINC000577378807 341906865 /nfs/dbraw/zinc/90/68/65/341906865.db2.gz FRKOVHAUGGMBCX-RQJHMYQMSA-N -1 0 324.346 -0.110 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000577572063 341918953 /nfs/dbraw/zinc/91/89/53/341918953.db2.gz DYFBJTKWUOUGIM-AAEUAGOBSA-N -1 0 318.395 -0.004 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000577572064 341918983 /nfs/dbraw/zinc/91/89/83/341918983.db2.gz DYFBJTKWUOUGIM-DGCLKSJQSA-N -1 0 318.395 -0.004 20 0 DBADRM CCCC(=O)N1CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000262911158 519869671 /nfs/dbraw/zinc/86/96/71/519869671.db2.gz JSVNWWNQCYXJTK-JTQLQIEISA-N -1 0 322.383 -0.640 20 0 DBADRM CCCNC(=O)[C@@H](C)S(=O)(=O)c1ncc(C(=O)OC)[n-]1 ZINC000350144465 519889305 /nfs/dbraw/zinc/88/93/05/519889305.db2.gz DFNKJYFOKDZVAQ-SSDOTTSWSA-N -1 0 303.340 -0.115 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000262102880 520763613 /nfs/dbraw/zinc/76/36/13/520763613.db2.gz FQSOTHIBWPEAPB-UWVGGRQHSA-N -1 0 322.383 -0.642 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)c1cnc(C(=O)[O-])cn1 ZINC000263264980 521648905 /nfs/dbraw/zinc/64/89/05/521648905.db2.gz KPZXCXBZLTZSOT-SSDOTTSWSA-N -1 0 301.324 -0.272 20 0 DBADRM COCCS(=O)(=O)CC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262001382 521756688 /nfs/dbraw/zinc/75/66/88/521756688.db2.gz GHABEEHLLLGORK-UHFFFAOYSA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@@H](Oc1cccc(CO)c1)C(=O)NCCc1nc(=O)o[n-]1 ZINC000447637083 533943579 /nfs/dbraw/zinc/94/35/79/533943579.db2.gz QHZNCMPLRZTYGJ-SECBINFHSA-N -1 0 307.306 -0.019 20 0 DBADRM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000275007332 535589542 /nfs/dbraw/zinc/58/95/42/535589542.db2.gz WCIKZIGSOWEADT-RNFRBKRXSA-N -1 0 301.372 -0.391 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)c2cnnn2C)ccc1[O-] ZINC000357341201 517972439 /nfs/dbraw/zinc/97/24/39/517972439.db2.gz VHSVVKNUYZXENO-UHFFFAOYSA-N -1 0 311.323 -0.319 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)CCS1(=O)=O ZINC000424249973 518201493 /nfs/dbraw/zinc/20/14/93/518201493.db2.gz UKDQXAVYYDFNBT-JTQLQIEISA-N -1 0 324.318 -0.718 20 0 DBADRM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262444943 518570366 /nfs/dbraw/zinc/57/03/66/518570366.db2.gz DBESCAKNMDPMQG-SDBXPKJASA-N -1 0 318.395 -0.114 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262403857 519652808 /nfs/dbraw/zinc/65/28/08/519652808.db2.gz OEUZRVSJFRCQKQ-UHFFFAOYSA-N -1 0 321.333 -0.105 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000262623095 519663605 /nfs/dbraw/zinc/66/36/05/519663605.db2.gz CXXRKUQBLYHXCK-NSHDSACASA-N -1 0 313.354 -0.515 20 0 DBADRM CC(C)N1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1=O ZINC000332989279 519681190 /nfs/dbraw/zinc/68/11/90/519681190.db2.gz HYTPJZICXCASLX-UHFFFAOYSA-N -1 0 303.322 -0.285 20 0 DBADRM CCCC(=O)N1CCC[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])C1 ZINC000262437151 519867857 /nfs/dbraw/zinc/86/78/57/519867857.db2.gz UBQPWVJTIQPCFB-HZMBPMFUSA-N -1 0 300.355 -0.023 20 0 DBADRM CCCNC(=O)CN(CCC)C(=O)c1cnc([O-])n(C)c1=O ZINC000267723031 519875244 /nfs/dbraw/zinc/87/52/44/519875244.db2.gz VKNNRUSWZDXRSD-UHFFFAOYSA-N -1 0 310.354 -0.136 20 0 DBADRM CC(=O)NCCc1ccc(S(=O)(=O)NCC(=O)[O-])s1 ZINC000299113876 534459051 /nfs/dbraw/zinc/45/90/51/534459051.db2.gz ZIMSMUPHSYKMHF-UHFFFAOYSA-N -1 0 306.365 -0.210 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N(CC(=O)[O-])C(C)C ZINC000262803691 520051942 /nfs/dbraw/zinc/05/19/42/520051942.db2.gz NANUYIGVAVJSRZ-UHFFFAOYSA-N -1 0 310.372 -0.736 20 0 DBADRM CCN(CC(N)=O)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000231816309 520436670 /nfs/dbraw/zinc/43/66/70/520436670.db2.gz YCFBQGPQVAIVMB-UHFFFAOYSA-N -1 0 316.335 -0.354 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cccnc1N1CCOCC1 ZINC000447635498 534501654 /nfs/dbraw/zinc/50/16/54/534501654.db2.gz AWPUVEZJVFDMTH-UHFFFAOYSA-N -1 0 319.321 -0.433 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)c1c[nH]c(C)n1)C(=O)[O-] ZINC000233691408 520714286 /nfs/dbraw/zinc/71/42/86/520714286.db2.gz OROYIKZFYNFHME-QMMMGPOBSA-N -1 0 319.339 -0.207 20 0 DBADRM CCC[C@@H](NC(=O)CN(C)S(=O)(=O)CC)c1nnn[n-]1 ZINC000343711837 520730403 /nfs/dbraw/zinc/73/04/03/520730403.db2.gz ANAIYHLXLQFNHM-MRVPVSSYSA-N -1 0 304.376 -0.561 20 0 DBADRM CCC[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)c1nnn[n-]1 ZINC000343759199 520734697 /nfs/dbraw/zinc/73/46/97/520734697.db2.gz BOGYEKCHIYWNME-SECBINFHSA-N -1 0 318.403 -0.171 20 0 DBADRM CCOC(=O)N1CCCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000267692926 520937863 /nfs/dbraw/zinc/93/78/63/520937863.db2.gz YOHNUEMZUDCGCL-UHFFFAOYSA-N -1 0 324.337 -0.210 20 0 DBADRM CCN(CCCNC(=O)NCCCC(=O)[O-])S(C)(=O)=O ZINC000262960916 521016270 /nfs/dbraw/zinc/01/62/70/521016270.db2.gz JAVHBXSEMQBZFI-UHFFFAOYSA-N -1 0 309.388 -0.178 20 0 DBADRM CCC[C@H](NC(=O)CN1CCCS1(=O)=O)c1nnn[n-]1 ZINC000343741495 521126045 /nfs/dbraw/zinc/12/60/45/521126045.db2.gz KJSWKLCQJXPAGX-QMMMGPOBSA-N -1 0 302.360 -0.807 20 0 DBADRM CCC(CC)(CNC(=O)NC[C@H]1CC(C(N)=O)=NO1)C(=O)[O-] ZINC000263018640 521434545 /nfs/dbraw/zinc/43/45/45/521434545.db2.gz DNICJLZPMGYHDC-MRVPVSSYSA-N -1 0 314.342 -0.193 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)CNS(=O)(=O)CCOCC ZINC000262406127 521556204 /nfs/dbraw/zinc/55/62/04/521556204.db2.gz WNGSEHFEFANDRN-UHFFFAOYSA-N -1 0 310.372 -0.735 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)CS(=O)(=O)c2ncc[n-]2)C1 ZINC000356082781 534576073 /nfs/dbraw/zinc/57/60/73/534576073.db2.gz BLLRXGRENFSPKY-SNVBAGLBSA-N -1 0 314.367 -0.690 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)N(C)CCC(=O)[O-])CC1 ZINC000037931857 521661477 /nfs/dbraw/zinc/66/14/77/521661477.db2.gz DGDGLXBFRAIOFZ-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2(C(=O)[O-])CC2)C1 ZINC000263154533 521663017 /nfs/dbraw/zinc/66/30/17/521663017.db2.gz MTGUBGYFJXSQPX-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CCS(=O)(=O)NCCN1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000330859380 521677164 /nfs/dbraw/zinc/67/71/64/521677164.db2.gz UEEDCRBJHCNVIY-SECBINFHSA-N -1 0 303.388 -0.023 20 0 DBADRM CCNC(=O)CN1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000108852012 521737558 /nfs/dbraw/zinc/73/75/58/521737558.db2.gz GBIBVGDMLOWWDC-UHFFFAOYSA-N -1 0 318.381 -0.724 20 0 DBADRM CCNC(=O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000344294915 521738066 /nfs/dbraw/zinc/73/80/66/521738066.db2.gz VDVJJNGRLVOKIF-UHFFFAOYSA-N -1 0 305.294 -0.390 20 0 DBADRM CCNC(=O)N1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC000262891343 521739761 /nfs/dbraw/zinc/73/97/61/521739761.db2.gz AKGKSERGVHIGKJ-UHFFFAOYSA-N -1 0 307.310 -0.338 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344091732 521741451 /nfs/dbraw/zinc/74/14/51/521741451.db2.gz DTPLCSRPOJOCDO-RKDXNWHRSA-N -1 0 310.358 -0.076 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000266777482 521745290 /nfs/dbraw/zinc/74/52/90/521745290.db2.gz BTDBYUYJWDXFIU-ZETCQYMHSA-N -1 0 319.321 -0.001 20 0 DBADRM CNC(=O)c1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)cn1 ZINC000343551874 521797967 /nfs/dbraw/zinc/79/79/67/521797967.db2.gz HVMDMQPJZQTZJQ-UHFFFAOYSA-N -1 0 304.310 -0.373 20 0 DBADRM COCC[C@@H](NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000262291615 521837095 /nfs/dbraw/zinc/83/70/95/521837095.db2.gz LINAJZXRQJPUHW-SNVBAGLBSA-N -1 0 322.321 -0.508 20 0 DBADRM COc1c2cnn(C)c2ncc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000344992646 521891858 /nfs/dbraw/zinc/89/18/58/521891858.db2.gz KTGGAKCOQIYWER-UHFFFAOYSA-N -1 0 303.282 -0.269 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000052785819 521975255 /nfs/dbraw/zinc/97/52/55/521975255.db2.gz SWVHHLNEUBBIIZ-JTQLQIEISA-N -1 0 316.335 -0.447 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H](O)C2)c1 ZINC000343824278 521987384 /nfs/dbraw/zinc/98/73/84/521987384.db2.gz AIEROXIGDQGIDS-VIFPVBQESA-N -1 0 314.363 -0.151 20 0 DBADRM COC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000036968965 521989416 /nfs/dbraw/zinc/98/94/16/521989416.db2.gz DVKINSCSZQJJPQ-SECBINFHSA-N -1 0 317.319 -0.495 20 0 DBADRM COCCn1nc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])ccc1=O ZINC000262398124 522146643 /nfs/dbraw/zinc/14/66/43/522146643.db2.gz CBBWXFPSROWMKC-NSHDSACASA-N -1 0 309.322 -0.127 20 0 DBADRM CNS(=O)(=O)CC[N-]S(=O)(=O)c1c(F)cccc1F ZINC000190598244 522206796 /nfs/dbraw/zinc/20/67/96/522206796.db2.gz DQQGNUXNKHYUBE-UHFFFAOYSA-N -1 0 314.335 -0.208 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])C1=NS(=O)(=O)c2ccccc21 ZINC000262390364 522469188 /nfs/dbraw/zinc/46/91/88/522469188.db2.gz AFUOVJRESYIXLK-UHFFFAOYSA-N -1 0 311.319 -0.732 20 0 DBADRM CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cnc([O-])n(C)c1=O ZINC000331921962 522516439 /nfs/dbraw/zinc/51/64/39/522516439.db2.gz ZPQWSUWAPMHXCT-SECBINFHSA-N -1 0 318.337 -0.095 20 0 DBADRM COC[C@@](C)(NC(=O)c1cnc2sccn2c1=O)C(=O)[O-] ZINC000262225783 522528712 /nfs/dbraw/zinc/52/87/12/522528712.db2.gz NEVOOHBDDPWQGT-GFCCVEGCSA-N -1 0 311.319 -0.025 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000261878853 522530271 /nfs/dbraw/zinc/53/02/71/522530271.db2.gz RNNWFLUQGVFZEK-UHFFFAOYSA-N -1 0 321.376 -0.064 20 0 DBADRM CC[C@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@@H](O)C(F)(F)F ZINC000270919033 522548193 /nfs/dbraw/zinc/54/81/93/522548193.db2.gz UPLTVSODKMECHK-NKWVEPMBSA-N -1 0 309.244 -0.083 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000261753871 522687855 /nfs/dbraw/zinc/68/78/55/522687855.db2.gz WVKFFTAAHGVLCH-UHFFFAOYSA-N -1 0 311.323 -0.243 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](C)CC(=O)[O-])CC1 ZINC000037465484 522918554 /nfs/dbraw/zinc/91/85/54/522918554.db2.gz AAJJNMTVMYDGNW-MRVPVSSYSA-N -1 0 308.356 -0.431 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccnn1C)C(=O)[O-] ZINC000124173783 523118988 /nfs/dbraw/zinc/11/89/88/523118988.db2.gz NCBPHTBXBFITGU-ZETCQYMHSA-N -1 0 305.312 -0.895 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000222591468 523317610 /nfs/dbraw/zinc/31/76/10/523317610.db2.gz WUNOWBRINSRUEJ-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM CC[C@@H]1CC[C@@H](C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])O1 ZINC000333580840 523345396 /nfs/dbraw/zinc/34/53/96/523345396.db2.gz NXEWUOVXIKXPGD-VGMNWLOBSA-N -1 0 310.310 -0.263 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)NC1(C(=O)[O-])CCCC1 ZINC000262068576 523433304 /nfs/dbraw/zinc/43/33/04/523433304.db2.gz FCIFLDRAOLDLGB-UHFFFAOYSA-N -1 0 322.383 -0.544 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)[N-]OCc1cccnc1 ZINC000269513226 523433709 /nfs/dbraw/zinc/43/37/09/523433709.db2.gz BPDIMXHBTYSGBW-UHFFFAOYSA-N -1 0 317.367 -0.415 20 0 DBADRM CO[C@@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000227271775 523533977 /nfs/dbraw/zinc/53/39/77/523533977.db2.gz YCCACZVBVAQDSB-JTQLQIEISA-N -1 0 301.320 -0.081 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000345292180 523649094 /nfs/dbraw/zinc/64/90/94/523649094.db2.gz YKKKUYCTHSCDST-JTQLQIEISA-N -1 0 305.290 -0.158 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C(=O)c2c(C)nn(C)c2C)C1 ZINC000347437041 523748387 /nfs/dbraw/zinc/74/83/87/523748387.db2.gz XOPSMCLDKOFPBL-ZJUUUORDSA-N -1 0 309.322 -0.080 20 0 DBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)OC ZINC000344977629 523900825 /nfs/dbraw/zinc/90/08/25/523900825.db2.gz RSPSGCKYDVPRDK-XHNCKOQMSA-N -1 0 311.331 -0.241 20 0 DBADRM COC(=O)[C@H](O)CNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000345292186 523936117 /nfs/dbraw/zinc/93/61/17/523936117.db2.gz YKKKUYCTHSCDST-SNVBAGLBSA-N -1 0 305.290 -0.158 20 0 DBADRM CO[C@H](CNC(=O)c1ccccc1OCC(=O)N(C)C)C(=O)[O-] ZINC000263129081 523948468 /nfs/dbraw/zinc/94/84/68/523948468.db2.gz SQLOLZOPHMDYNW-GFCCVEGCSA-N -1 0 324.333 -0.017 20 0 DBADRM CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)n1 ZINC000265440731 524001494 /nfs/dbraw/zinc/00/14/94/524001494.db2.gz VZCNUWUYPBUKTF-JTQLQIEISA-N -1 0 316.383 -0.108 20 0 DBADRM CN1C[C@H](NC(=O)c2ccccc2[N-]S(C)(=O)=O)C(=O)N1 ZINC000349700325 524024439 /nfs/dbraw/zinc/02/44/39/524024439.db2.gz CWBBKXTUXFGHLC-JTQLQIEISA-N -1 0 312.351 -0.867 20 0 DBADRM CNC(=O)C1(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)CC1 ZINC000262421386 524046568 /nfs/dbraw/zinc/04/65/68/524046568.db2.gz CRMLIBKQXYESJW-UHFFFAOYSA-N -1 0 319.317 -0.034 20 0 DBADRM CNC(=O)CCN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000230952408 524066902 /nfs/dbraw/zinc/06/69/02/524066902.db2.gz SDXZNAVHOHZGEB-UHFFFAOYSA-N -1 0 303.340 -0.520 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000346854385 524080659 /nfs/dbraw/zinc/08/06/59/524080659.db2.gz LISAUBIYKHNWCB-ZCFIWIBFSA-N -1 0 305.294 -0.391 20 0 DBADRM Cc1cc(C(=O)NCCc2nnc[nH]2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000345713986 524086050 /nfs/dbraw/zinc/08/60/50/524086050.db2.gz IQCMBXKCKIIHAG-UHFFFAOYSA-N -1 0 315.293 -0.165 20 0 DBADRM C[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000339247418 524801463 /nfs/dbraw/zinc/80/14/63/524801463.db2.gz RHWYKPXNFIHCMQ-ZETCQYMHSA-N -1 0 308.306 -0.260 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](C)CC(=O)[O-])cc1C(N)=O ZINC000037420015 525073128 /nfs/dbraw/zinc/07/31/28/525073128.db2.gz GPPWHGPPONRTQQ-SSDOTTSWSA-N -1 0 316.335 -0.064 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC000262249596 525170492 /nfs/dbraw/zinc/17/04/92/525170492.db2.gz WUCIGPPIDFDQFM-IVZWLZJFSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@](O)(C3CC3)C2)C1 ZINC000331586906 525191135 /nfs/dbraw/zinc/19/11/35/525191135.db2.gz XLFBTQMQKKSYAN-GLKRBJQHSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000263328695 525192864 /nfs/dbraw/zinc/19/28/64/525192864.db2.gz LBCQYCQBAUMRFA-NXEZZACHSA-N -1 0 323.353 -0.108 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCCCC(=O)[O-] ZINC000263492945 525202283 /nfs/dbraw/zinc/20/22/83/525202283.db2.gz RTAZJOJTLOEHAX-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H](C)N1CCOCC1 ZINC000267551405 525259947 /nfs/dbraw/zinc/25/99/47/525259947.db2.gz CJYZHHYDGVXUSI-UWVGGRQHSA-N -1 0 310.354 -0.675 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)C1 ZINC000331586901 525364706 /nfs/dbraw/zinc/36/47/06/525364706.db2.gz XLFBTQMQKKSYAN-GDLVEWKHSA-N -1 0 324.377 -0.071 20 0 DBADRM Cc1cc(S(=O)(=O)N(C)CC(N)=O)cc(C(=O)[O-])c1F ZINC000158926721 525392001 /nfs/dbraw/zinc/39/20/01/525392001.db2.gz HGXBIZFEYMIYGO-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM C[C@@H]1C[C@H](C)[C@H](C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])O1 ZINC000333545372 525400940 /nfs/dbraw/zinc/40/09/40/525400940.db2.gz IOCIPHHGUDTZOQ-PYHGXSLLSA-N -1 0 310.310 -0.407 20 0 DBADRM C[C@@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC000262389263 525568611 /nfs/dbraw/zinc/56/86/11/525568611.db2.gz IFHVRMANGFKLOL-SECBINFHSA-N -1 0 312.347 -0.097 20 0 DBADRM C[C@@H]1Oc2c(cccc2C(=O)NC[C@@](C)(O)C(=O)[O-])NC1=O ZINC000262331071 525606675 /nfs/dbraw/zinc/60/66/75/525606675.db2.gz AXVUQBMMIVMLBO-JKYUHCHBSA-N -1 0 308.290 -0.029 20 0 DBADRM Cc1c(F)cccc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000266472816 525814782 /nfs/dbraw/zinc/81/47/82/525814782.db2.gz RUHYSONEVLZMHQ-UHFFFAOYSA-N -1 0 304.299 -0.387 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1ccccc1 ZINC000262851310 526284274 /nfs/dbraw/zinc/28/42/74/526284274.db2.gz HUKVZBWJNHLGHL-NWDGAFQWSA-N -1 0 301.306 0.000 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@@H]2CCSC2)CCS1(=O)=O ZINC000333601245 526284728 /nfs/dbraw/zinc/28/47/28/526284728.db2.gz QNAUKWXFIJTPIY-IUCAKERBSA-N -1 0 322.408 -0.367 20 0 DBADRM Cc1conc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000330668045 526299553 /nfs/dbraw/zinc/29/95/53/526299553.db2.gz BXQBKADOXOIUEU-UHFFFAOYSA-N -1 0 300.296 -0.819 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000262615074 526335129 /nfs/dbraw/zinc/33/51/29/526335129.db2.gz LSORRBZXRFKWDJ-NEPJUHHUSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)CC[C@H]1CCCO1 ZINC000333640192 526335491 /nfs/dbraw/zinc/33/54/91/526335491.db2.gz XDMQHOCPRKUODI-RKDXNWHRSA-N -1 0 310.310 -0.262 20 0 DBADRM Cc1nnc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)s1 ZINC000330632430 526372645 /nfs/dbraw/zinc/37/26/45/526372645.db2.gz ICDVQUSTVWCQBO-UHFFFAOYSA-N -1 0 317.352 -0.955 20 0 DBADRM O=C(CNC(=O)c1ncccc1O)NCCCc1n[nH]c(=O)[n-]1 ZINC000343974978 526874346 /nfs/dbraw/zinc/87/43/46/526874346.db2.gz IGQZYBKWEMFKJE-UHFFFAOYSA-N -1 0 320.309 -0.910 20 0 DBADRM O=C(CS(=O)(=O)c1n[nH]c(=O)[n-]1)N1CCc2ccccc2C1 ZINC000350217422 527008714 /nfs/dbraw/zinc/00/87/14/527008714.db2.gz HXILBJADMOCPOA-UHFFFAOYSA-N -1 0 322.346 -0.131 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NC2(C(=O)[O-])CCCCCC2)c1=O ZINC000262502847 527033939 /nfs/dbraw/zinc/03/39/39/527033939.db2.gz MEHKHSJZCOTWSF-UHFFFAOYSA-N -1 0 323.349 -0.159 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NC2CCC(C(=O)[O-])CC2)c1=O ZINC000261738294 527034150 /nfs/dbraw/zinc/03/41/50/527034150.db2.gz RWANHBWZVVFWNX-UHFFFAOYSA-N -1 0 309.322 -0.693 20 0 DBADRM O=C(Cc1[nH]c(O)nc1O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000343588779 527139943 /nfs/dbraw/zinc/13/99/43/527139943.db2.gz RUOARXPSPKWUOO-VIFPVBQESA-N -1 0 315.293 -0.919 20 0 DBADRM Cn1cc(C[C@@H](NS(=O)(=O)N2CCCCC2)C(=O)[O-])cn1 ZINC000275223007 527228733 /nfs/dbraw/zinc/22/87/33/527228733.db2.gz ISADFQILUSNNCB-LLVKDONJSA-N -1 0 316.383 -0.264 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)NC2(c3nnn[n-]3)CCCC2)cn1 ZINC000345973182 527229136 /nfs/dbraw/zinc/22/91/36/527229136.db2.gz NWJYVUUHPRQFTA-SNVBAGLBSA-N -1 0 305.342 -0.578 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@H]3CCOC3)cc-2c(=O)[n-]1 ZINC000345345237 527243292 /nfs/dbraw/zinc/24/32/92/527243292.db2.gz IFENWOXFCXQFOF-LURJTMIESA-N -1 0 312.307 -0.497 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc1C(N)=O ZINC000035390796 527289834 /nfs/dbraw/zinc/28/98/34/527289834.db2.gz HDHZOZZFAKQWIG-VIFPVBQESA-N -1 0 317.367 -0.098 20 0 DBADRM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccnn2)c1 ZINC000345685640 527322310 /nfs/dbraw/zinc/32/23/10/527322310.db2.gz UYNKPAYAYBFZGX-UHFFFAOYSA-N -1 0 314.348 -0.075 20 0 DBADRM O=C(N1CCO[C@H](c2nnn[n-]2)C1)C(F)(F)C1(O)CCC1 ZINC000372834840 527444464 /nfs/dbraw/zinc/44/44/64/527444464.db2.gz CPHISWOHJQHNSR-ZETCQYMHSA-N -1 0 303.269 -0.350 20 0 DBADRM Cn1cnn(CC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1=O ZINC000263394089 527515114 /nfs/dbraw/zinc/51/51/14/527515114.db2.gz FBXURVBUDZACAM-VWYCJHECSA-N -1 0 308.338 -0.174 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000035085382 527613009 /nfs/dbraw/zinc/61/30/09/527613009.db2.gz VHOTWWXDWOBHOM-UHFFFAOYSA-N -1 0 312.756 -0.119 20 0 DBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000230064862 527655313 /nfs/dbraw/zinc/65/53/13/527655313.db2.gz GVZBQIOHDYNECM-VIFPVBQESA-N -1 0 317.319 -0.428 20 0 DBADRM CC(C)OC(=O)CC[C@@H](C)NC(=O)C(=O)NCCC(=O)[O-] ZINC000420584818 527788685 /nfs/dbraw/zinc/78/86/85/527788685.db2.gz OXYHOROCUZWXIE-SECBINFHSA-N -1 0 302.327 -0.186 20 0 DBADRM CCN(CC)S(=O)(=O)CCNC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000414630295 528207464 /nfs/dbraw/zinc/20/74/64/528207464.db2.gz PGKLOIOICGATJW-SNVBAGLBSA-N -1 0 321.399 -0.226 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)[N-][C@H](CF)C(=O)OC)CC1 ZINC000451568971 528676663 /nfs/dbraw/zinc/67/66/63/528676663.db2.gz SAONKTMRFKWARA-MRVPVSSYSA-N -1 0 311.331 -0.097 20 0 DBADRM CC(C)(C)n1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC000277793213 534946600 /nfs/dbraw/zinc/94/66/00/534946600.db2.gz XIKFJXRWAJLZIM-UHFFFAOYSA-N -1 0 316.383 -0.166 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC000408338493 535203892 /nfs/dbraw/zinc/20/38/92/535203892.db2.gz GVTLXTMRIOENQL-QMMMGPOBSA-N -1 0 312.338 -0.049 20 0 DBADRM CC(C)(O)CO[N-]C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 ZINC000294874799 535313039 /nfs/dbraw/zinc/31/30/39/535313039.db2.gz KNKVYCPHYHDWSG-UHFFFAOYSA-N -1 0 307.306 -0.079 20 0 DBADRM CCOc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cn1 ZINC000275082389 535391712 /nfs/dbraw/zinc/39/17/12/535391712.db2.gz IXDPHSIWHOCDMP-JTQLQIEISA-N -1 0 316.335 -0.046 20 0 DBADRM CCOc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cn1 ZINC000274905396 535396221 /nfs/dbraw/zinc/39/62/21/535396221.db2.gz JFFRUZNYSZUUHR-VIFPVBQESA-N -1 0 304.324 -0.406 20 0 DBADRM CCOC(=O)c1cc(S(=O)(=O)N2CC(C(=O)[O-])C2)cn1C ZINC000275172899 535682088 /nfs/dbraw/zinc/68/20/88/535682088.db2.gz WQFMWMRDWKWFNJ-UHFFFAOYSA-N -1 0 316.335 -0.093 20 0 DBADRM CC[C@H](C)[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000340517671 535978662 /nfs/dbraw/zinc/97/86/62/535978662.db2.gz FIIOSBTYQPIVMP-IUCAKERBSA-N -1 0 315.413 -0.160 20 0 DBADRM CN(C(=O)c1ccccc1[N-]S(C)(=O)=O)[C@H]1COC[C@H]1O ZINC000342397868 536069071 /nfs/dbraw/zinc/06/90/71/536069071.db2.gz HFHKXNIWAMFSBW-NWDGAFQWSA-N -1 0 314.363 -0.110 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)C(=O)[N-]OCCSC ZINC000285337454 536151905 /nfs/dbraw/zinc/15/19/05/536151905.db2.gz XVNZSHFFPGWYPY-VIFPVBQESA-N -1 0 305.400 -0.182 20 0 DBADRM CN1C(=O)CN([N-]S(=O)(=O)c2ccc3c(c2)OCO3)C1=O ZINC000274440915 536314067 /nfs/dbraw/zinc/31/40/67/536314067.db2.gz IVYSFKRWVODQGU-UHFFFAOYSA-N -1 0 313.291 -0.497 20 0 DBADRM CNC(=O)c1cccc(OCC(=O)NC(C)(C)c2nnn[n-]2)c1 ZINC000340213279 536438253 /nfs/dbraw/zinc/43/82/53/536438253.db2.gz VGVCPOBBWFEUNY-UHFFFAOYSA-N -1 0 318.337 -0.010 20 0 DBADRM COC[C@@H](CO)NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000280033343 536636770 /nfs/dbraw/zinc/63/67/70/536636770.db2.gz OPRYQBNWSXGZFA-SECBINFHSA-N -1 0 302.352 -0.205 20 0 DBADRM CC(C)CC(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824165114 603614003 /nfs/dbraw/zinc/61/40/03/603614003.db2.gz SIPUAWJDFSMJPN-UHFFFAOYSA-N -1 0 300.311 -0.033 20 0 DBADRM COC(=O)C[C@H]1CN(CCC(=O)N(C)CC(=O)[O-])CCO1 ZINC000831148746 601455088 /nfs/dbraw/zinc/45/50/88/601455088.db2.gz YDAPNCJUZWXPIM-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM C[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)[C@H]1CCOC1 ZINC000820450059 599043490 /nfs/dbraw/zinc/04/34/90/599043490.db2.gz GMZUOAZPNKILKL-YUMQZZPRSA-N -1 0 321.341 -0.899 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)CCCC(=O)[O-] ZINC000826004980 601638700 /nfs/dbraw/zinc/63/87/00/601638700.db2.gz PORFEEHQBPPGOY-NXEZZACHSA-N -1 0 307.368 -0.050 20 0 DBADRM C[C@@H](O)[C@H](C)Sc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820467564 599099752 /nfs/dbraw/zinc/09/97/52/599099752.db2.gz JSAUCJSSLXOGSU-RITPCOANSA-N -1 0 312.355 -0.875 20 0 DBADRM O=C([O-])NC[C@H]1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000740642931 602054817 /nfs/dbraw/zinc/05/48/17/602054817.db2.gz UQTRGMDOUHNAKQ-RKDXNWHRSA-N -1 0 305.356 -0.527 20 0 DBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740379439 602538379 /nfs/dbraw/zinc/53/83/79/602538379.db2.gz HOBVKNMOQPOEFT-RKDXNWHRSA-N -1 0 322.408 -0.225 20 0 DBADRM N=C1NC(=O)C(CC(=O)NCCN(C(=O)[O-])C2CC2)S1 ZINC000831239655 602827219 /nfs/dbraw/zinc/82/72/19/602827219.db2.gz JIFPLQMASPGHRB-SSDOTTSWSA-N -1 0 300.340 -0.199 20 0 DBADRM COCCN(CC(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C)C(=O)[O-] ZINC000739819558 603243512 /nfs/dbraw/zinc/24/35/12/603243512.db2.gz CHTZOHCHAJNGDN-UWVGGRQHSA-N -1 0 322.383 -0.353 20 0 DBADRM O=c1c2ccccc2ncn1CCn1cnc(-c2nnn[n-]2)n1 ZINC000738381115 599221872 /nfs/dbraw/zinc/22/18/72/599221872.db2.gz UUGOKPORUGAAJF-UHFFFAOYSA-N -1 0 309.293 -0.132 20 0 DBADRM CCCCN(C(=O)CN(C)CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739326664 596906442 /nfs/dbraw/zinc/90/64/42/596906442.db2.gz KZLAQNQTQUWWIG-NSHDSACASA-N -1 0 320.411 -0.181 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CCC(C(=O)[O-])CC1)c2=O ZINC000320304766 596932622 /nfs/dbraw/zinc/93/26/22/596932622.db2.gz BXZOAOKZIRPWFU-UHFFFAOYSA-N -1 0 319.321 -0.547 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000037433305 596932976 /nfs/dbraw/zinc/93/29/76/596932976.db2.gz UYDBUDSGSZCKGV-UHFFFAOYSA-N -1 0 318.395 -0.019 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCC(C(=O)[O-])CC1 ZINC000737561135 596938263 /nfs/dbraw/zinc/93/82/63/596938263.db2.gz NRWBAJQZSVDZPW-KOLCDFICSA-N -1 0 318.395 -0.525 20 0 DBADRM COc1cc(OC)c(NC(=O)C(=O)NCC(=O)[O-])cc1F ZINC000818564517 596971055 /nfs/dbraw/zinc/97/10/55/596971055.db2.gz UAJASXFYUZKUTO-UHFFFAOYSA-N -1 0 300.242 -0.018 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC000736332503 599864150 /nfs/dbraw/zinc/86/41/50/599864150.db2.gz JOCODUOGKSPEJQ-UHFFFAOYSA-N -1 0 315.326 -0.686 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000740483239 597044908 /nfs/dbraw/zinc/04/49/08/597044908.db2.gz SAWIMMUKZJGEJB-UHFFFAOYSA-N -1 0 305.290 -0.282 20 0 DBADRM CCS(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000739520873 597046086 /nfs/dbraw/zinc/04/60/86/597046086.db2.gz ZMTMDFQKESCYDK-UHFFFAOYSA-N -1 0 314.319 -0.381 20 0 DBADRM COc1ccc(NC(C)=O)cc1NC(=O)C(=O)NCC(=O)[O-] ZINC000739925968 597046726 /nfs/dbraw/zinc/04/67/26/597046726.db2.gz WEOXUUXPYYCVII-UHFFFAOYSA-N -1 0 309.278 -0.207 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000231020930 597060895 /nfs/dbraw/zinc/06/08/95/597060895.db2.gz CRYLOICMWYFJEP-JTQLQIEISA-N -1 0 321.399 -0.178 20 0 DBADRM CCOC(=O)Cc1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000739470225 597074059 /nfs/dbraw/zinc/07/40/59/597074059.db2.gz HSLYUAUDBNCHFD-UHFFFAOYSA-N -1 0 308.290 -0.069 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)CSCC(=O)[O-])s1 ZINC000740341756 597084680 /nfs/dbraw/zinc/08/46/80/597084680.db2.gz VHNKQEMUFCUBFZ-UHFFFAOYSA-N -1 0 324.405 -0.171 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000769530650 597096388 /nfs/dbraw/zinc/09/63/88/597096388.db2.gz JYBNKLKBFYDWND-SNVBAGLBSA-N -1 0 307.368 -0.239 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)CSCC(=O)[O-])CC1 ZINC000739463939 597097420 /nfs/dbraw/zinc/09/74/20/597097420.db2.gz UUZAYFNVHOUHRV-UHFFFAOYSA-N -1 0 317.411 -0.525 20 0 DBADRM Cc1nc(CN2CCN(C(=O)CSCC(=O)[O-])CC2)no1 ZINC000740219640 597101393 /nfs/dbraw/zinc/10/13/93/597101393.db2.gz RZLYFRDMUUGIDU-UHFFFAOYSA-N -1 0 314.367 -0.160 20 0 DBADRM O=C([O-])CSCC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000740485610 597101784 /nfs/dbraw/zinc/10/17/84/597101784.db2.gz BBVFQEFNFLJTGN-MNOVXSKESA-N -1 0 302.396 -0.138 20 0 DBADRM CC(=O)N1CCC(C(=O)OCc2cn(CC(=O)[O-])nn2)CC1 ZINC000817694744 597123704 /nfs/dbraw/zinc/12/37/04/597123704.db2.gz IOABWUUNOBEYEP-UHFFFAOYSA-N -1 0 310.310 -0.336 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)C1(C(=O)NCC(=O)[O-])CCC1 ZINC000817803107 597133606 /nfs/dbraw/zinc/13/36/06/597133606.db2.gz LDFLTUYPKXETEU-UHFFFAOYSA-N -1 0 314.338 -0.185 20 0 DBADRM O=C(CC[C@H]1NC(=O)NC1=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000819142275 597172431 /nfs/dbraw/zinc/17/24/31/597172431.db2.gz RZHCBXYBDUWDRM-GHMZBOCLSA-N -1 0 319.317 -0.213 20 0 DBADRM C[C@@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)[O-] ZINC000242906055 597179992 /nfs/dbraw/zinc/17/99/92/597179992.db2.gz GQMTVMLBBDVYLH-ZCFIWIBFSA-N -1 0 321.245 -0.220 20 0 DBADRM NC(=O)CCNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000819116848 597206482 /nfs/dbraw/zinc/20/64/82/597206482.db2.gz CINFTKBIGIBNJQ-LLVKDONJSA-N -1 0 304.306 -0.303 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000818136245 597222440 /nfs/dbraw/zinc/22/24/40/597222440.db2.gz QNULIZSIZBIPPO-NSHDSACASA-N -1 0 314.386 -0.297 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NCCC(=O)[O-])C1 ZINC000818645275 597226464 /nfs/dbraw/zinc/22/64/64/597226464.db2.gz HIEOFNHFTIYDAM-VIFPVBQESA-N -1 0 307.372 -0.568 20 0 DBADRM NS(=O)(=O)c1ccc(CCNC(=O)NCCC(=O)[O-])cc1 ZINC000042477678 597227398 /nfs/dbraw/zinc/22/73/98/597227398.db2.gz XDGPDTWKVMGICT-UHFFFAOYSA-N -1 0 315.351 -0.350 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)S(=O)(=O)C1CCOCC1 ZINC000817733577 597232526 /nfs/dbraw/zinc/23/25/26/597232526.db2.gz IXRMKYCRPYCEME-NXEZZACHSA-N -1 0 319.379 -0.098 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738142098 597252672 /nfs/dbraw/zinc/25/26/72/597252672.db2.gz QHZUBKBAHJDTHQ-OAQYLSRUSA-N -1 0 312.347 -0.253 20 0 DBADRM C[C@@]1([C@@H]2CCCN(C(=O)NCCC(=O)[O-])C2)NC(=O)NC1=O ZINC000818080490 597254147 /nfs/dbraw/zinc/25/41/47/597254147.db2.gz MCPUTUNZHNKZDK-OQPBUACISA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cccnc1-n1cncn1 ZINC000819467317 597255237 /nfs/dbraw/zinc/25/52/37/597255237.db2.gz NVZHIGHDNOEFCA-UHFFFAOYSA-N -1 0 304.266 -0.808 20 0 DBADRM NC(=O)COc1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1 ZINC000738440003 597256730 /nfs/dbraw/zinc/25/67/30/597256730.db2.gz LEINZTVHGSBHDO-UHFFFAOYSA-N -1 0 309.278 -0.920 20 0 DBADRM Cn1c(=O)c2cc(C(=O)NCCCC(=O)[O-])cnc2n(C)c1=O ZINC000262767627 597277169 /nfs/dbraw/zinc/27/71/69/597277169.db2.gz SRZOXWFYNCBFJI-UHFFFAOYSA-N -1 0 320.305 -0.773 20 0 DBADRM CCN(CC)C(=O)CN1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000818193798 597296063 /nfs/dbraw/zinc/29/60/63/597296063.db2.gz SWSKFPQMUZXHIZ-UHFFFAOYSA-N -1 0 314.386 -0.343 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCCCC(=O)[O-])C1 ZINC000702972415 597307968 /nfs/dbraw/zinc/30/79/68/597307968.db2.gz LTZJQSAIDFSNNQ-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000819521173 597322473 /nfs/dbraw/zinc/32/24/73/597322473.db2.gz IDMBPJIOWJOZKL-VIFPVBQESA-N -1 0 305.290 -0.571 20 0 DBADRM COC[C@@H](O)CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000820710268 597340252 /nfs/dbraw/zinc/34/02/52/597340252.db2.gz KHYXDYZEBVBILE-AAEUAGOBSA-N -1 0 321.333 -0.171 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000821525559 597342981 /nfs/dbraw/zinc/34/29/81/597342981.db2.gz UCWBKIFQXFRNEF-UHFFFAOYSA-N -1 0 317.305 -0.144 20 0 DBADRM O=C([O-])CCNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000819473252 597360030 /nfs/dbraw/zinc/36/00/30/597360030.db2.gz HYBKVEOLGVHSFK-JTQLQIEISA-N -1 0 322.321 -0.232 20 0 DBADRM COC(=O)C[C@H](C)N1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000818502345 597367967 /nfs/dbraw/zinc/36/79/67/597367967.db2.gz WZUWUXRLQZSBCJ-JTQLQIEISA-N -1 0 318.395 -0.100 20 0 DBADRM CN(C)c1ncc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000820554395 597380702 /nfs/dbraw/zinc/38/07/02/597380702.db2.gz PRLDFTIVOQGICL-MRVPVSSYSA-N -1 0 307.310 -0.586 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCc2nnc3n2CCCC3)CCO1 ZINC000738549048 597419230 /nfs/dbraw/zinc/41/92/30/597419230.db2.gz VRQROQFKJAOBEF-SECBINFHSA-N -1 0 309.326 -0.391 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)N[C@H](C)C(=O)[O-])cn1 ZINC000818542642 597451922 /nfs/dbraw/zinc/45/19/22/597451922.db2.gz HOPMSXXWLMPOMB-MRVPVSSYSA-N -1 0 313.314 -0.760 20 0 DBADRM C[C@H](NC(=O)Nc1cnn(CCN2CCOCC2)c1)C(=O)[O-] ZINC000818039652 597452066 /nfs/dbraw/zinc/45/20/66/597452066.db2.gz KKBBOKIWJYNITE-JTQLQIEISA-N -1 0 311.342 -0.190 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)C(=O)[O-] ZINC000820107324 597460426 /nfs/dbraw/zinc/46/04/26/597460426.db2.gz HYWOXWMYZCMHRD-YFKPBYRVSA-N -1 0 319.277 -0.810 20 0 DBADRM CCN(C(=O)CN(C)[C@H](C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000227149754 597471932 /nfs/dbraw/zinc/47/19/32/597471932.db2.gz GLCOQPQOVDYKNL-NXEZZACHSA-N -1 0 306.384 -0.573 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000817779427 597482282 /nfs/dbraw/zinc/48/22/82/597482282.db2.gz OOOHHGWMYANWQR-ONGXEEELSA-N -1 0 308.338 -0.300 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC2(CO)COC2)ccc1C(=O)[O-] ZINC000820996622 597491058 /nfs/dbraw/zinc/49/10/58/597491058.db2.gz GVCASRYMPSPJMK-UHFFFAOYSA-N -1 0 322.317 -0.243 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC000821363929 597493337 /nfs/dbraw/zinc/49/33/37/597493337.db2.gz IMEKFRPVZRTABS-UHFFFAOYSA-N -1 0 313.335 -0.334 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)O[C@H](C)C(=O)[O-] ZINC000738388783 597495140 /nfs/dbraw/zinc/49/51/40/597495140.db2.gz IOYSDYGLYLZZAY-SSDOTTSWSA-N -1 0 306.296 -0.414 20 0 DBADRM C[C@H](OC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C(=O)[O-] ZINC000737711072 597497915 /nfs/dbraw/zinc/49/79/15/597497915.db2.gz ZBPMEAYCPYOYQE-QMMMGPOBSA-N -1 0 320.309 -0.248 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)o1 ZINC000261674823 597498439 /nfs/dbraw/zinc/49/84/39/597498439.db2.gz AYBNMRIKSLHKRC-ZETCQYMHSA-N -1 0 302.308 -0.266 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000062118673 597499242 /nfs/dbraw/zinc/49/92/42/597499242.db2.gz WDVNRNPMCJNWMS-BDAKNGLRSA-N -1 0 307.393 -0.160 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000819275811 597500342 /nfs/dbraw/zinc/50/03/42/597500342.db2.gz NGFZSLZYPNLGQC-MRVPVSSYSA-N -1 0 303.274 -0.237 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC000400190807 597507174 /nfs/dbraw/zinc/50/71/74/597507174.db2.gz LRPIPVAORVRLND-VIFPVBQESA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C(=O)[O-] ZINC000818017503 597516230 /nfs/dbraw/zinc/51/62/30/597516230.db2.gz ADTANXFHJRCDPJ-BQBZGAKWSA-N -1 0 321.289 -0.066 20 0 DBADRM Cn1cnnc1CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000821310868 597516603 /nfs/dbraw/zinc/51/66/03/597516603.db2.gz UDVDYPJYTMORAP-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cccc1-n1cnnn1 ZINC000818778570 597517225 /nfs/dbraw/zinc/51/72/25/597517225.db2.gz YZUGNUILMABJCU-MRVPVSSYSA-N -1 0 318.293 -0.501 20 0 DBADRM CCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000818213674 597517601 /nfs/dbraw/zinc/51/76/01/597517601.db2.gz PGSUQPUVRXULTP-QMMMGPOBSA-N -1 0 307.306 -0.036 20 0 DBADRM COCCOc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cn1 ZINC000818542646 597519306 /nfs/dbraw/zinc/51/93/06/597519306.db2.gz ICOQEYYEDGTTFS-QMMMGPOBSA-N -1 0 311.294 -0.365 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccccc1-n1cncn1)C(=O)[O-] ZINC000818022470 597519713 /nfs/dbraw/zinc/51/97/13/597519713.db2.gz HPMJJDRAYMUYMR-QMMMGPOBSA-N -1 0 303.278 -0.205 20 0 DBADRM CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000818213705 597520208 /nfs/dbraw/zinc/52/02/08/597520208.db2.gz RGLMWZQQGQKYNH-QMMMGPOBSA-N -1 0 307.306 -0.036 20 0 DBADRM CNC(=O)c1ccc(C)c(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000818491048 597520216 /nfs/dbraw/zinc/52/02/16/597520216.db2.gz VNQZOTMBMQQXTA-QMMMGPOBSA-N -1 0 307.306 -0.118 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC000818547271 597524511 /nfs/dbraw/zinc/52/45/11/597524511.db2.gz BNSHDIQNKFMDMA-VIFPVBQESA-N -1 0 310.310 -0.599 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C(=O)[O-])C1 ZINC000817737869 597530456 /nfs/dbraw/zinc/53/04/56/597530456.db2.gz LBXHLKTUJHVISO-OPRDCNLKSA-N -1 0 304.368 -0.915 20 0 DBADRM CC(C)C[C@@H](NC(=O)C(=O)Nc1cccc(C(N)=O)n1)C(=O)[O-] ZINC000819980405 597611117 /nfs/dbraw/zinc/61/11/17/597611117.db2.gz PURHSBZJFPFBFU-SECBINFHSA-N -1 0 322.321 -0.266 20 0 DBADRM Cc1nnc2n1C[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)CC2 ZINC000821224364 597666459 /nfs/dbraw/zinc/66/64/59/597666459.db2.gz BBAIXGOMOZDMJF-VHSXEESVSA-N -1 0 309.326 -0.604 20 0 DBADRM CC(=O)NCCN(C(=O)Nc1nncs1)[C@@H](C)C(=O)[O-] ZINC000819752707 597671426 /nfs/dbraw/zinc/67/14/26/597671426.db2.gz AAQOTUDOMGOUFG-LURJTMIESA-N -1 0 301.328 -0.019 20 0 DBADRM CC(=O)NCCN(CC(=O)Nc1cc(C)no1)[C@@H](C)C(=O)[O-] ZINC000819770385 597673551 /nfs/dbraw/zinc/67/35/51/597673551.db2.gz QIGHHTSUCMBXDX-VIFPVBQESA-N -1 0 312.326 -0.167 20 0 DBADRM CC(=O)NCCN(CC(=O)Nc1cc(C)on1)[C@H](C)C(=O)[O-] ZINC000819770448 597674922 /nfs/dbraw/zinc/67/49/22/597674922.db2.gz SSNWGKQLGXHAPK-SECBINFHSA-N -1 0 312.326 -0.167 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000820354052 597676976 /nfs/dbraw/zinc/67/69/76/597676976.db2.gz LFXCPNNIYRJBQU-BDAKNGLRSA-N -1 0 316.358 -0.868 20 0 DBADRM CC(=O)NCCN(C(=O)c1cccn(C)c1=O)[C@H](C)C(=O)[O-] ZINC000819758359 597683622 /nfs/dbraw/zinc/68/36/22/597683622.db2.gz ZIBQHUQWYPNCIP-SECBINFHSA-N -1 0 309.322 -0.563 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H](O)c1cccnc1)[C@@H](C)C(=O)[O-] ZINC000819744245 597686217 /nfs/dbraw/zinc/68/62/17/597686217.db2.gz BKJDEVLTUVERIH-CABZTGNLSA-N -1 0 309.322 -0.447 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc(C(N)=O)cn1)[C@@H](C)C(=O)[O-] ZINC000819758180 597687642 /nfs/dbraw/zinc/68/76/42/597687642.db2.gz NGWCNXKHRUXOHG-QMMMGPOBSA-N -1 0 322.321 -0.768 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCc2n[nH]cc2C1)[C@H](C)C(=O)[O-] ZINC000819744615 597688082 /nfs/dbraw/zinc/68/80/82/597688082.db2.gz WCDGAIFPPDMFOD-MWLCHTKSSA-N -1 0 322.365 -0.048 20 0 DBADRM CC(=O)NCCN(C(=O)COc1cc(C)on1)[C@H](C)C(=O)[O-] ZINC000781136483 597689707 /nfs/dbraw/zinc/68/97/07/597689707.db2.gz LYUGACSCMHQDNZ-SECBINFHSA-N -1 0 313.310 -0.200 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc(C(N)=O)o1)[C@H](C)C(=O)[O-] ZINC000819758165 597691223 /nfs/dbraw/zinc/69/12/23/597691223.db2.gz MSUXQMUFYLUVDU-SSDOTTSWSA-N -1 0 311.294 -0.570 20 0 DBADRM C[C@@H](O)C[C@@H]1CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824698702 607779400 /nfs/dbraw/zinc/77/94/00/607779400.db2.gz NLLJNPCANFCTAW-BDAKNGLRSA-N -1 0 306.330 -0.780 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)C1(N2CCOCC2)CCC1 ZINC000820719299 597723676 /nfs/dbraw/zinc/72/36/76/597723676.db2.gz TZJJVLWYPLXMOQ-UHFFFAOYSA-N -1 0 300.355 -0.199 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)c2ccccc2C(F)(F)C1=O ZINC000821529453 597724587 /nfs/dbraw/zinc/72/45/87/597724587.db2.gz ISLFUIOJJFUGLW-UHFFFAOYSA-N -1 0 312.228 -0.038 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000820885788 597725875 /nfs/dbraw/zinc/72/58/75/597725875.db2.gz LZDCMRIPXDSXPY-UHFFFAOYSA-N -1 0 308.294 -0.253 20 0 DBADRM CC(C)(C)c1noc(C[S@@](=O)CC(=O)NCC(=O)[O-])n1 ZINC000819932493 597736324 /nfs/dbraw/zinc/73/63/24/597736324.db2.gz LVLYBVDRXRBGQD-FQEVSTJZSA-N -1 0 303.340 -0.183 20 0 DBADRM CCn1nnnc1-c1cccc(NCC(=O)NCC(=O)[O-])c1 ZINC000820517560 597746438 /nfs/dbraw/zinc/74/64/38/597746438.db2.gz KRGAZGFZCFORDO-UHFFFAOYSA-N -1 0 304.310 -0.027 20 0 DBADRM O=C([O-])CNC(=O)CSc1n[nH]c(=O)n1C[C@@H]1CCCO1 ZINC000821534750 597751678 /nfs/dbraw/zinc/75/16/78/597751678.db2.gz QAMYYERDZLXFGA-ZETCQYMHSA-N -1 0 316.339 -0.544 20 0 DBADRM O=C([O-])CNC(=O)CSc1nnc(N2CCOCC2)s1 ZINC000821533548 597753478 /nfs/dbraw/zinc/75/34/78/597753478.db2.gz SMQAUJLJJLBGRV-UHFFFAOYSA-N -1 0 318.380 -0.332 20 0 DBADRM CSc1nc2ncn(CC(=O)NCC(=O)[O-])c(=O)c2s1 ZINC000820912710 597753511 /nfs/dbraw/zinc/75/35/11/597753511.db2.gz RIFLWHADRUKEKI-UHFFFAOYSA-N -1 0 314.348 -0.224 20 0 DBADRM Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC(=O)[O-])C2=O)o1 ZINC000821076194 597754865 /nfs/dbraw/zinc/75/48/65/597754865.db2.gz VWVSDBGDXKJQCC-ZDUSSCGKSA-N -1 0 309.278 -0.444 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O ZINC000821530074 597760460 /nfs/dbraw/zinc/76/04/60/597760460.db2.gz XCNGRHKAKDWZRQ-LLVKDONJSA-N -1 0 319.317 -0.260 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000821529084 597760463 /nfs/dbraw/zinc/76/04/63/597760463.db2.gz FBHKOBYMSOEBFL-JTQLQIEISA-N -1 0 305.290 -0.650 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])S(=O)(=O)c1ccc(Cl)nc1 ZINC000820562879 597761050 /nfs/dbraw/zinc/76/10/50/597761050.db2.gz XNSUFOADFLCCNC-UHFFFAOYSA-N -1 0 321.742 -0.444 20 0 DBADRM CN(CCO)C(=O)c1ccc(OCC(=O)NCC(=O)[O-])cc1 ZINC000820597401 597761080 /nfs/dbraw/zinc/76/10/80/597761080.db2.gz PCRVSOQDOCUEHX-UHFFFAOYSA-N -1 0 310.306 -0.670 20 0 DBADRM NC(=O)c1ccc(CN(CC(=O)NCC(=O)[O-])C2CC2)cc1 ZINC000821353738 597766968 /nfs/dbraw/zinc/76/69/68/597766968.db2.gz ZSDATZQWDNFHRF-UHFFFAOYSA-N -1 0 305.334 -0.049 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000821531138 597796216 /nfs/dbraw/zinc/79/62/16/597796216.db2.gz WTFJYIKGMFHPAP-UHFFFAOYSA-N -1 0 321.333 -0.649 20 0 DBADRM O=C([O-])CCCCN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000821515955 597800955 /nfs/dbraw/zinc/80/09/55/597800955.db2.gz LZQYSBJRVMFDLB-VXGBXAGGSA-N -1 0 320.411 -0.983 20 0 DBADRM Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)NCC(=O)[O-])cn1 ZINC000821287487 597805423 /nfs/dbraw/zinc/80/54/23/597805423.db2.gz NWDTWTNDZJHUSL-RYUDHWBXSA-N -1 0 310.354 -0.491 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000821530744 597826309 /nfs/dbraw/zinc/82/63/09/597826309.db2.gz CFVDQAPCOXJJRW-VIFPVBQESA-N -1 0 324.289 -0.628 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)OCCCC(=O)[O-] ZINC000738390026 597826347 /nfs/dbraw/zinc/82/63/47/597826347.db2.gz PIVKJMKMAKQKFO-UHFFFAOYSA-N -1 0 320.323 -0.022 20 0 DBADRM C[S@@](=O)Cc1cccc(C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000820900448 597827081 /nfs/dbraw/zinc/82/70/81/597827081.db2.gz VONUTIAEDQYWRI-OAQYLSRUSA-N -1 0 313.331 -0.077 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(Cn2cncn2)cc1 ZINC000821532674 597827214 /nfs/dbraw/zinc/82/72/14/597827214.db2.gz VLEZKOVNROYMHH-UHFFFAOYSA-N -1 0 318.289 -0.316 20 0 DBADRM COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCC(=O)[O-])c1C ZINC000820673066 597828649 /nfs/dbraw/zinc/82/86/49/597828649.db2.gz NPSPNPIZEPICII-UHFFFAOYSA-N -1 0 312.278 -0.224 20 0 DBADRM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820256891 597831192 /nfs/dbraw/zinc/83/11/92/597831192.db2.gz MMQORZDWESAHRX-SDBXPKJASA-N -1 0 309.274 -0.041 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000821531105 597831239 /nfs/dbraw/zinc/83/12/39/597831239.db2.gz FNJGBSQQAOKVSB-UHFFFAOYSA-N -1 0 306.274 -0.071 20 0 DBADRM C[C@H]1Oc2ccccc2O[C@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820256885 597831250 /nfs/dbraw/zinc/83/12/50/597831250.db2.gz MMQORZDWESAHRX-AMIZOPFISA-N -1 0 309.274 -0.041 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(-n2cncn2)nc1 ZINC000821532234 597832192 /nfs/dbraw/zinc/83/21/92/597832192.db2.gz RFCVLGNGRZRTAN-UHFFFAOYSA-N -1 0 305.250 -0.980 20 0 DBADRM Cc1nn(C)c2ncc(C(=O)OCC(=O)NCC(=O)[O-])cc12 ZINC000821209146 597832543 /nfs/dbraw/zinc/83/25/43/597832543.db2.gz OBFPMHRKCPJMLH-UHFFFAOYSA-N -1 0 306.278 -0.366 20 0 DBADRM CC(C)(C)N1C[C@H](C(=O)OCC(=O)NCC(=O)[O-])CC1=O ZINC000819908896 597832940 /nfs/dbraw/zinc/83/29/40/597832940.db2.gz YPECVNIQEOTTID-MRVPVSSYSA-N -1 0 300.311 -0.623 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000821532623 597833674 /nfs/dbraw/zinc/83/36/74/597833674.db2.gz UBHCHVBNCLRPSV-SNVBAGLBSA-N -1 0 312.322 -0.621 20 0 DBADRM C[C@@H](NC(=O)C1CCCC1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000820114303 597835344 /nfs/dbraw/zinc/83/53/44/597835344.db2.gz LKJGFUDJOSLFOS-MRVPVSSYSA-N -1 0 300.311 -0.575 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccnc(-n2cncn2)c1 ZINC000821532834 597837188 /nfs/dbraw/zinc/83/71/88/597837188.db2.gz UKAGZTJNQNTLHI-UHFFFAOYSA-N -1 0 305.250 -0.980 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)C[C@H]1C(=O)Nc2ccccc21 ZINC000821531350 597838182 /nfs/dbraw/zinc/83/81/82/597838182.db2.gz HENDRXMGWCDKBA-SECBINFHSA-N -1 0 306.274 -0.144 20 0 DBADRM CCN(C(=O)[C@@H](C)N(C)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000820333142 598039412 /nfs/dbraw/zinc/03/94/12/598039412.db2.gz SQILVMPRPUUKSZ-NXEZZACHSA-N -1 0 306.384 -0.573 20 0 DBADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776687608 598087095 /nfs/dbraw/zinc/08/70/95/598087095.db2.gz YZHZCYBSZISJCC-SECBINFHSA-N -1 0 308.356 -0.525 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)NC1(C(=O)[O-])CCCC1 ZINC000821357174 598091903 /nfs/dbraw/zinc/09/19/03/598091903.db2.gz KLEHXJUOWZZDEX-UHFFFAOYSA-N -1 0 317.305 -0.045 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)N2CCN(C(=O)CO)CC2)c1 ZINC000821538788 598093185 /nfs/dbraw/zinc/09/31/85/598093185.db2.gz UGKMYTMYQVCJMK-UHFFFAOYSA-N -1 0 321.333 -0.018 20 0 DBADRM NC(=O)c1cnn2cc(CN3CCO[C@H](C(=O)[O-])C3)cnc12 ZINC000821357073 598125035 /nfs/dbraw/zinc/12/50/35/598125035.db2.gz GLBAWOWNLLIXRL-JTQLQIEISA-N -1 0 305.294 -0.886 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000821544632 598154606 /nfs/dbraw/zinc/15/46/06/598154606.db2.gz JHEIQBKCYHYNCN-ZDUSSCGKSA-N -1 0 308.334 -0.192 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)NCCCCC(=O)[O-])C1 ZINC000820890699 598167073 /nfs/dbraw/zinc/16/70/73/598167073.db2.gz NIMDDGVUPWBTCA-SNVBAGLBSA-N -1 0 321.399 -0.178 20 0 DBADRM COCCCN(C(=O)NCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000820715110 598169709 /nfs/dbraw/zinc/16/97/09/598169709.db2.gz ODKPRQHYLPNXTD-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM CCCNC(=O)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820321286 598172850 /nfs/dbraw/zinc/17/28/50/598172850.db2.gz SAQLBFFJAFXCNA-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820353821 598172901 /nfs/dbraw/zinc/17/29/01/598172901.db2.gz FFHQAVXEYGHXJU-MRVPVSSYSA-N -1 0 307.306 -0.036 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000821345010 598174189 /nfs/dbraw/zinc/17/41/89/598174189.db2.gz DDUKBNPBHWUBIT-QMMMGPOBSA-N -1 0 305.290 -0.343 20 0 DBADRM COC[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820710293 598174810 /nfs/dbraw/zinc/17/48/10/598174810.db2.gz LAHMHPICSJIUBA-CQSZACIVSA-N -1 0 310.306 -0.163 20 0 DBADRM NS(=O)(=O)CCNC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000087845103 598186630 /nfs/dbraw/zinc/18/66/30/598186630.db2.gz LZTKDCOBUPPYFC-UHFFFAOYSA-N -1 0 301.324 -0.276 20 0 DBADRM NS(=O)(=O)CCNC(=O)Nc1ccccc1CC(=O)[O-] ZINC000053200902 598186894 /nfs/dbraw/zinc/18/68/94/598186894.db2.gz VFVARSKGPLOEGG-UHFFFAOYSA-N -1 0 301.324 -0.276 20 0 DBADRM CC(C)C[C@@H](NC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O)C(=O)[O-] ZINC000819980115 598220566 /nfs/dbraw/zinc/22/05/66/598220566.db2.gz JTYFZOKTJLEIQE-JMJZKYOTSA-N -1 0 300.355 -0.123 20 0 DBADRM C[C@H](O)c1cn(C2CN(C(=O)CSCC(=O)[O-])C2)nn1 ZINC000820160307 598220690 /nfs/dbraw/zinc/22/06/90/598220690.db2.gz DBWZTSXBGSSLSI-ZETCQYMHSA-N -1 0 300.340 -0.468 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1cnsn1 ZINC000739791019 600265414 /nfs/dbraw/zinc/26/54/14/600265414.db2.gz KVEDUCZOMMDTQC-UHFFFAOYSA-N -1 0 300.340 -0.603 20 0 DBADRM COCC[C@@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736979635 598245143 /nfs/dbraw/zinc/24/51/43/598245143.db2.gz SRHTWXKSOAHSSV-SSDOTTSWSA-N -1 0 309.330 -0.899 20 0 DBADRM O=C([N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1cocn1 ZINC000738137960 598332239 /nfs/dbraw/zinc/33/22/39/598332239.db2.gz BVNPCGHOSBUFDN-UHFFFAOYSA-N -1 0 320.290 -0.027 20 0 DBADRM CN1CCN(CC(=O)N2CCSC[C@H]2CC(=O)[O-])CC1 ZINC000830950333 600965627 /nfs/dbraw/zinc/96/56/27/600965627.db2.gz IZSYOWYUGFTFOD-LLVKDONJSA-N -1 0 301.412 -0.348 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2CCOCO2)c1 ZINC000736941311 598636566 /nfs/dbraw/zinc/63/65/66/598636566.db2.gz RVQSZUFOWQDGKE-VIFPVBQESA-N -1 0 321.293 -0.422 20 0 DBADRM O=C(Cn1cccc(-c2nnn[n-]2)c1=O)NCc1ccco1 ZINC000737987376 598677601 /nfs/dbraw/zinc/67/76/01/598677601.db2.gz XNUCYGRIZXJYQC-UHFFFAOYSA-N -1 0 300.278 -0.062 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CC2(C)COC2)c1 ZINC000736941094 599339981 /nfs/dbraw/zinc/33/99/81/599339981.db2.gz ORJPCUZUSPTAEA-UHFFFAOYSA-N -1 0 305.294 -0.149 20 0 DBADRM O=C(NCc1cc(-c2nn[nH]n2)ccc1F)c1n[nH]c(=O)[n-]1 ZINC000823241681 599491510 /nfs/dbraw/zinc/49/15/10/599491510.db2.gz BQLFSXPQXYUMNH-UHFFFAOYSA-N -1 0 304.245 -0.241 20 0 DBADRM C[C@@H]1CCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@H]1C ZINC000820709211 599579039 /nfs/dbraw/zinc/57/90/39/599579039.db2.gz GCURTJDEFWZOAU-BDAKNGLRSA-N -1 0 319.369 -0.111 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821165411 599626089 /nfs/dbraw/zinc/62/60/89/599626089.db2.gz RQHONSFZCLBJMA-UHFFFAOYSA-N -1 0 310.339 -0.207 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1sccc1-c1nn[nH]n1 ZINC000821165823 599626138 /nfs/dbraw/zinc/62/61/38/599626138.db2.gz WPLZLXQZAAOIAR-UHFFFAOYSA-N -1 0 316.368 -0.146 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000736327275 599740574 /nfs/dbraw/zinc/74/05/74/599740574.db2.gz DEIHRGDINOEASD-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)CCNC(=O)[O-])CC1 ZINC000738160591 599729072 /nfs/dbraw/zinc/72/90/72/599729072.db2.gz MTMOAGHXGRGOSA-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM O=C([O-])CCN1CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 ZINC000739728010 599730077 /nfs/dbraw/zinc/73/00/77/599730077.db2.gz MLZANGYHGSHTOZ-LBPRGKRZSA-N -1 0 320.411 -0.022 20 0 DBADRM COCC(=O)N1CCN(C(=O)CCCN(C)C(=O)[O-])CC1 ZINC000737735287 599735141 /nfs/dbraw/zinc/73/51/41/599735141.db2.gz DQYJYDROPHITOS-UHFFFAOYSA-N -1 0 301.343 -0.306 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccn(CC(=O)[O-])n2)C1=O ZINC000736931945 599737254 /nfs/dbraw/zinc/73/72/54/599737254.db2.gz KTPPUYOXSYCSDQ-ZDUSSCGKSA-N -1 0 323.309 -0.373 20 0 DBADRM CCOc1ccc(C(=O)NCC(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000737194151 599742895 /nfs/dbraw/zinc/74/28/95/599742895.db2.gz CAYBSEKNDCBDEP-LLVKDONJSA-N -1 0 310.306 -0.623 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCCn1c(=O)oc2ccccc21 ZINC000739244485 599743666 /nfs/dbraw/zinc/74/36/66/599743666.db2.gz TTWKWEANDTUSEO-SECBINFHSA-N -1 0 308.290 -0.064 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000736888459 599744386 /nfs/dbraw/zinc/74/43/86/599744386.db2.gz XPPXEFOTDHBXOJ-NSHDSACASA-N -1 0 314.386 -0.297 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CN1C(=O)CSc2ccccc21 ZINC000739275309 599745627 /nfs/dbraw/zinc/74/56/27/599745627.db2.gz ZQXJCDSMAWYIFA-QMMMGPOBSA-N -1 0 310.331 -0.313 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000737124618 599745882 /nfs/dbraw/zinc/74/58/82/599745882.db2.gz VBIFFRRPDSPDPD-UHFFFAOYSA-N -1 0 314.386 -0.295 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)CCCNC(=O)[O-])C1 ZINC000738165668 599745987 /nfs/dbraw/zinc/74/59/87/599745987.db2.gz YQJAXOYRPSJGPK-SNVBAGLBSA-N -1 0 321.399 -0.178 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)CCNC(=O)[O-])CC1 ZINC000737124649 599746108 /nfs/dbraw/zinc/74/61/08/599746108.db2.gz WYWPQUQJMPFVRD-UHFFFAOYSA-N -1 0 300.359 -0.686 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)CCSCC(=O)[O-])cn1 ZINC000737543283 599748482 /nfs/dbraw/zinc/74/84/82/599748482.db2.gz PGZMVPSGKWISSN-UHFFFAOYSA-N -1 0 300.340 -0.225 20 0 DBADRM CC(C)[C@H](C(=O)OCC(=O)NCC(=O)[O-])N1CCCC1=O ZINC000736350243 599750487 /nfs/dbraw/zinc/75/04/87/599750487.db2.gz VGWZDLIFCFTCJL-GFCCVEGCSA-N -1 0 300.311 -0.623 20 0 DBADRM CC(C)[C@@H](C(=O)OCC(=O)NCCC(=O)[O-])N1CCCC1=O ZINC000736350242 599750521 /nfs/dbraw/zinc/75/05/21/599750521.db2.gz VGEXTYRDKZWSSB-ZDUSSCGKSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1COc2ccccc2O1 ZINC000737605242 599751721 /nfs/dbraw/zinc/75/17/21/599751721.db2.gz VQCLDYHLZGXONT-NSHDSACASA-N -1 0 309.274 -0.087 20 0 DBADRM O=C([O-])CNC(=O)CN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000739809262 599754461 /nfs/dbraw/zinc/75/44/61/599754461.db2.gz RECZCOKBGLQFMZ-GFCCVEGCSA-N -1 0 305.334 -0.250 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC000737349759 599758621 /nfs/dbraw/zinc/75/86/21/599758621.db2.gz KIHYFZLWWVYMJK-SECBINFHSA-N -1 0 309.326 -0.090 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccccc1OC ZINC000737619413 599761640 /nfs/dbraw/zinc/76/16/40/599761640.db2.gz HALDXBGTNMXDOA-UHFFFAOYSA-N -1 0 317.319 -0.057 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)cc1 ZINC000737619909 599762274 /nfs/dbraw/zinc/76/22/74/599762274.db2.gz OWUYAZDDZQMMCO-UHFFFAOYSA-N -1 0 317.319 -0.057 20 0 DBADRM NC(=O)[C@@H]1c2ccccc2CCN1CC(=O)NCCC(=O)[O-] ZINC000739159079 599764081 /nfs/dbraw/zinc/76/40/81/599764081.db2.gz GLPBDRKBVHMVJD-AWEZNQCLSA-N -1 0 305.334 -0.338 20 0 DBADRM COCCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000228690637 599767502 /nfs/dbraw/zinc/76/75/02/599767502.db2.gz QZWWVXWWCDOSJF-UHFFFAOYSA-N -1 0 306.296 -0.981 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000737094672 599769591 /nfs/dbraw/zinc/76/95/91/599769591.db2.gz FVBQHRNLBLOVJG-UHFFFAOYSA-N -1 0 318.355 -0.756 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccc2nncn2c1 ZINC000739634436 599770099 /nfs/dbraw/zinc/77/00/99/599770099.db2.gz NLYRQNZXOXDJSJ-SECBINFHSA-N -1 0 303.278 -0.855 20 0 DBADRM CN(CCN1CCOCC1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737440550 599777982 /nfs/dbraw/zinc/77/79/82/599777982.db2.gz CBCMPQJSSOBSDP-UHFFFAOYSA-N -1 0 318.351 -0.070 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)CCSCC(=O)[O-] ZINC000737516336 599784960 /nfs/dbraw/zinc/78/49/60/599784960.db2.gz VXDMSWASVMVDQS-UHFFFAOYSA-N -1 0 317.411 -0.573 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000736364524 599841573 /nfs/dbraw/zinc/84/15/73/599841573.db2.gz NTIJCDIXYMVUPE-SNVBAGLBSA-N -1 0 321.399 -0.181 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCCN1CCCS1(=O)=O ZINC000736368342 599846533 /nfs/dbraw/zinc/84/65/33/599846533.db2.gz MZSARIRJBHLNPP-SNVBAGLBSA-N -1 0 321.399 -0.180 20 0 DBADRM CN(C(=O)CNS(=O)(=O)c1cnn(C)c1)C(C)(C)C(=O)[O-] ZINC000737321065 599848068 /nfs/dbraw/zinc/84/80/68/599848068.db2.gz AKPRSWGBGRMFQJ-UHFFFAOYSA-N -1 0 318.355 -0.980 20 0 DBADRM C[C@@H](NC(=O)COC(=O)C(C)(C)NC(=O)[O-])C(=O)N(C)C ZINC000736639499 599862828 /nfs/dbraw/zinc/86/28/28/599862828.db2.gz UBSNOUFLBUZRSG-SSDOTTSWSA-N -1 0 303.315 -0.831 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000736133716 599863213 /nfs/dbraw/zinc/86/32/13/599863213.db2.gz CCPNXKILKLCPAX-UHFFFAOYSA-N -1 0 315.326 -0.734 20 0 DBADRM CCOC(=O)[C@@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000049374595 599867860 /nfs/dbraw/zinc/86/78/60/599867860.db2.gz BOFIIFXUDQOLRH-MRVPVSSYSA-N -1 0 308.356 -0.431 20 0 DBADRM CCN1CCN(CC(=O)OCc2cc(C(=O)[O-])co2)C(=O)C1=O ZINC000737114643 599882432 /nfs/dbraw/zinc/88/24/32/599882432.db2.gz CNOFHUKHIKRIDI-UHFFFAOYSA-N -1 0 324.289 -0.288 20 0 DBADRM CN(C)C(=O)c1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1 ZINC000737351446 599883637 /nfs/dbraw/zinc/88/36/37/599883637.db2.gz FQLRAAMBBHRBGY-UHFFFAOYSA-N -1 0 308.290 -0.254 20 0 DBADRM Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)[O-])cn1C ZINC000738362547 599885347 /nfs/dbraw/zinc/88/53/47/599885347.db2.gz UDKUCNQRXHLNSV-ZETCQYMHSA-N -1 0 319.339 -0.587 20 0 DBADRM CC(=O)N1c2ccccc2C[C@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000736143318 599885900 /nfs/dbraw/zinc/88/59/00/599885900.db2.gz WWJRPQAWQRVHAL-LBPRGKRZSA-N -1 0 320.301 -0.292 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000737094165 599907610 /nfs/dbraw/zinc/90/76/10/599907610.db2.gz QCVCSQLLJVOBMG-NSHDSACASA-N -1 0 313.354 -0.563 20 0 DBADRM COCCN(C(=O)CCCNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737764014 599918178 /nfs/dbraw/zinc/91/81/78/599918178.db2.gz BPZZMUZOUGMAGN-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM COc1cc(C)nc(N2CCN(CC(=O)NCC(=O)[O-])CC2)n1 ZINC000737866748 599923237 /nfs/dbraw/zinc/92/32/37/599923237.db2.gz DKEVNTUGIWSGPZ-UHFFFAOYSA-N -1 0 323.353 -0.884 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)C1CCCCC1 ZINC000071240881 599930414 /nfs/dbraw/zinc/93/04/14/599930414.db2.gz DLODHLRAFGUXJJ-SNVBAGLBSA-N -1 0 304.368 -0.076 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(N3CCOCC3)nc2)CCO1 ZINC000738551395 599943839 /nfs/dbraw/zinc/94/38/39/599943839.db2.gz DEIWEWXCKLSYTQ-LBPRGKRZSA-N -1 0 321.333 -0.156 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)CCO1 ZINC000262031530 599945853 /nfs/dbraw/zinc/94/58/53/599945853.db2.gz YVYVQJCKJLMDQG-VIFPVBQESA-N -1 0 323.330 -0.230 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000736673348 599946267 /nfs/dbraw/zinc/94/62/67/599946267.db2.gz VJJQYNUGOXUAMW-LURJTMIESA-N -1 0 302.308 -0.033 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CN2C(=O)COc3ccccc32)CCO1 ZINC000263025120 599948388 /nfs/dbraw/zinc/94/83/88/599948388.db2.gz TXBJOMBHFBTSNM-LBPRGKRZSA-N -1 0 320.301 -0.276 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)CC2(CCCC2)C1=O ZINC000737615711 599953433 /nfs/dbraw/zinc/95/34/33/599953433.db2.gz PGXQPUQAMJQJIE-UHFFFAOYSA-N -1 0 312.322 -0.177 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1CC(=O)N(C(C)C)C1=O ZINC000737615586 599953453 /nfs/dbraw/zinc/95/34/53/599953453.db2.gz NUDDQSJDSIVJQX-UHFFFAOYSA-N -1 0 301.299 -0.824 20 0 DBADRM COCCn1cnn(CN2CCO[C@@H](C(=O)[O-])C2)c1=S ZINC000737829645 599955443 /nfs/dbraw/zinc/95/54/43/599955443.db2.gz RNOYWVICQSVIQN-SECBINFHSA-N -1 0 302.356 -0.197 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)CCSCC(=O)[O-])C1 ZINC000738160312 599964984 /nfs/dbraw/zinc/96/49/84/599964984.db2.gz JVBFZISRUIBHRY-VIFPVBQESA-N -1 0 324.424 -0.266 20 0 DBADRM Cc1cc(NC[C@@H]2CN(C)CCO2)n2nc(C(=O)[O-])nc2n1 ZINC000738460928 599967901 /nfs/dbraw/zinc/96/79/01/599967901.db2.gz SASDVAOYFXVYCW-SECBINFHSA-N -1 0 306.326 -0.127 20 0 DBADRM NC(=O)c1ccc(CN2CCO[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000314618371 599972351 /nfs/dbraw/zinc/97/23/51/599972351.db2.gz GDSOTTFTISDCEJ-NSHDSACASA-N -1 0 309.278 -0.021 20 0 DBADRM NC(=O)c1ccc(CN2CCO[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000314618369 599972403 /nfs/dbraw/zinc/97/24/03/599972403.db2.gz GDSOTTFTISDCEJ-LLVKDONJSA-N -1 0 309.278 -0.021 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000739554985 599973502 /nfs/dbraw/zinc/97/35/02/599973502.db2.gz WYXCJCNINFWRKY-QWRGUYRKSA-N -1 0 308.338 -0.126 20 0 DBADRM COC(=O)C1CCN(C(=O)CN2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000737586464 599977748 /nfs/dbraw/zinc/97/77/48/599977748.db2.gz YYLPYSLHNMTLML-LLVKDONJSA-N -1 0 314.338 -0.817 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000321918792 599983662 /nfs/dbraw/zinc/98/36/62/599983662.db2.gz XBBCJCJMYNEHSJ-JTQLQIEISA-N -1 0 323.353 -0.749 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000738551951 599987883 /nfs/dbraw/zinc/98/78/83/599987883.db2.gz QVKSNWFWWWREEI-JTQLQIEISA-N -1 0 303.274 -0.151 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)[O-])cn1C ZINC000738364830 599998803 /nfs/dbraw/zinc/99/88/03/599998803.db2.gz WZBWTVNMSIXFKQ-LURJTMIESA-N -1 0 305.312 -0.977 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(N2CCCC2)nn1 ZINC000737608577 600007683 /nfs/dbraw/zinc/00/76/83/600007683.db2.gz JTTFZLZJKSNKPH-UHFFFAOYSA-N -1 0 322.321 -0.223 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1nc2nc(C)cc(C)n2n1 ZINC000737612350 600008018 /nfs/dbraw/zinc/00/80/18/600008018.db2.gz INOJREXWMNTWSY-UHFFFAOYSA-N -1 0 321.293 -0.559 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccc(C(=O)OC)n1 ZINC000737609276 600009240 /nfs/dbraw/zinc/00/92/40/600009240.db2.gz VVYHPTXPZFIODJ-UHFFFAOYSA-N -1 0 310.262 -0.432 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000737601987 600010307 /nfs/dbraw/zinc/01/03/07/600010307.db2.gz BKMWXAIKLLVHOR-NSHDSACASA-N -1 0 321.285 -0.146 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)N(C)CC(F)(F)F ZINC000737614109 600013076 /nfs/dbraw/zinc/01/30/76/600013076.db2.gz VOUVSJZGRVMDSQ-UHFFFAOYSA-N -1 0 300.233 -0.433 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(C)(C)C(=O)[O-] ZINC000040910486 600028282 /nfs/dbraw/zinc/02/82/82/600028282.db2.gz GHHYTECGHJXPOT-MRVPVSSYSA-N -1 0 308.356 -0.289 20 0 DBADRM Cc1cc(=O)c(C(=O)N[C@H](CO)C(=O)[O-])nn1-c1ccccc1 ZINC000738314816 600019474 /nfs/dbraw/zinc/01/94/74/600019474.db2.gz ROXYJCLQXMIDOB-LLVKDONJSA-N -1 0 317.301 -0.284 20 0 DBADRM COCCOCCCCNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000159665039 600039324 /nfs/dbraw/zinc/03/93/24/600039324.db2.gz WRBRYHKWFSPCMZ-NSHDSACASA-N -1 0 304.343 -0.075 20 0 DBADRM Cn1cc(NC(=O)CN2CCS(=O)(=O)CC2)cc1C(=O)[O-] ZINC000739036628 600028967 /nfs/dbraw/zinc/02/89/67/600028967.db2.gz KEUATQVTKPAIPD-UHFFFAOYSA-N -1 0 315.351 -0.608 20 0 DBADRM CC(C)[C@H](C)NC(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000736353430 600031126 /nfs/dbraw/zinc/03/11/26/600031126.db2.gz NTTMQQVIIQCKID-VIFPVBQESA-N -1 0 321.337 -0.162 20 0 DBADRM C[C@H](CNC(=O)N1CCO[C@@H](C(=O)[O-])C1)N1CCOCC1 ZINC000736595265 600034867 /nfs/dbraw/zinc/03/48/67/600034867.db2.gz KKTDLVAKWGATFJ-GHMZBOCLSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000043706990 600035158 /nfs/dbraw/zinc/03/51/58/600035158.db2.gz NQEZSAMBWHNTDN-WDEREUQCSA-N -1 0 301.343 -0.798 20 0 DBADRM Cc1ccccc1CNC(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000738772042 600042507 /nfs/dbraw/zinc/04/25/07/600042507.db2.gz GYUMCHVJBOBBND-CYBMUJFWSA-N -1 0 319.361 -0.114 20 0 DBADRM COc1ccncc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738143060 600053419 /nfs/dbraw/zinc/05/34/19/600053419.db2.gz JCVSXHWGWRICPH-JTQLQIEISA-N -1 0 309.278 -0.659 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)C[C@H]1CCCCO1 ZINC000739636843 600081841 /nfs/dbraw/zinc/08/18/41/600081841.db2.gz RDFXXCTVYKRSBT-NXEZZACHSA-N -1 0 320.367 -0.840 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000737573020 600081915 /nfs/dbraw/zinc/08/19/15/600081915.db2.gz IIQOQVGFBQCAPV-DTWKUNHWSA-N -1 0 309.340 -0.509 20 0 DBADRM COC(=O)C(C)(C)N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000737562473 600083250 /nfs/dbraw/zinc/08/32/50/600083250.db2.gz NQCQPLYQMSIPDW-UHFFFAOYSA-N -1 0 322.383 -0.089 20 0 DBADRM CC(C)COC[C@@H](O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000736445821 600085460 /nfs/dbraw/zinc/08/54/60/600085460.db2.gz NACMBJLBRDBNCB-JTQLQIEISA-N -1 0 324.337 -0.289 20 0 DBADRM CC(C)OC[C@@H](O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000736484670 600085549 /nfs/dbraw/zinc/08/55/49/600085549.db2.gz JCYADLUQJWKPNU-VIFPVBQESA-N -1 0 310.310 -0.537 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)C1(C(N)=O)CC1)C(=O)[O-] ZINC000736886019 600088229 /nfs/dbraw/zinc/08/82/29/600088229.db2.gz OLELNIIQXSCHEQ-IONNQARKSA-N -1 0 300.311 -0.589 20 0 DBADRM CCN(CC)C(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000737079291 600106884 /nfs/dbraw/zinc/10/68/84/600106884.db2.gz BCGUQYYAYPXHBV-NEPJUHHUSA-N -1 0 311.382 -0.280 20 0 DBADRM CCN(CC)C(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000737079296 600106945 /nfs/dbraw/zinc/10/69/45/600106945.db2.gz BCGUQYYAYPXHBV-RYUDHWBXSA-N -1 0 311.382 -0.280 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])s1 ZINC000739190148 600111272 /nfs/dbraw/zinc/11/12/72/600111272.db2.gz RUKLPOHQRLDHNX-BQBZGAKWSA-N -1 0 304.349 -0.268 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)C1(O)CCOCC1)C(=O)[O-] ZINC000736413016 600119440 /nfs/dbraw/zinc/11/94/40/600119440.db2.gz BDZDXZDAZMTGDY-SNVBAGLBSA-N -1 0 317.338 -0.313 20 0 DBADRM NS(=O)(=O)Cc1cccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000739191660 600120184 /nfs/dbraw/zinc/12/01/84/600120184.db2.gz GBPLJBPVZXSAAZ-QWRGUYRKSA-N -1 0 312.347 -0.188 20 0 DBADRM CC[C@](NCC(=O)N1CCNC(=O)C1)(C(=O)[O-])c1ccccc1 ZINC000736915410 600131217 /nfs/dbraw/zinc/13/12/17/600131217.db2.gz CSTBKXCOWWZIRY-MRXNPFEDSA-N -1 0 319.361 -0.076 20 0 DBADRM CCN(C(=O)CN(C)C(C)(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000061172753 600133869 /nfs/dbraw/zinc/13/38/69/600133869.db2.gz JWIBIXQQYIXYSX-JTQLQIEISA-N -1 0 320.411 -0.183 20 0 DBADRM CC(C)CNC(=O)CN(CCN1CCOCC1)CC(=O)[O-] ZINC000736444035 600144207 /nfs/dbraw/zinc/14/42/07/600144207.db2.gz VPAUEPZMWHITIV-UHFFFAOYSA-N -1 0 301.387 -0.523 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)cn1 ZINC000737302900 600151302 /nfs/dbraw/zinc/15/13/02/600151302.db2.gz LXVQFZNNLZKEHT-UHFFFAOYSA-N -1 0 316.383 -0.316 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)Cn2ncc3c2nc[nH]c3=O)C1 ZINC000738536965 600152702 /nfs/dbraw/zinc/15/27/02/600152702.db2.gz ARFDLPCCMLRXAI-QMMMGPOBSA-N -1 0 305.294 -0.606 20 0 DBADRM Cc1cc(NC(=O)CN(C)CCC(=O)N(C)CC(=O)[O-])no1 ZINC000738427791 600159750 /nfs/dbraw/zinc/15/97/50/600159750.db2.gz JCYIUZUTDLCGCK-UHFFFAOYSA-N -1 0 312.326 -0.214 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(-n2cnnc2)cc1 ZINC000739813656 600163748 /nfs/dbraw/zinc/16/37/48/600163748.db2.gz OOUJIRSJKVZGGW-UHFFFAOYSA-N -1 0 304.262 -0.375 20 0 DBADRM C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CN2)C(=O)NCC(=O)[O-] ZINC000736692584 600164537 /nfs/dbraw/zinc/16/45/37/600164537.db2.gz WVGDSNZJIKCNLC-SSDOTTSWSA-N -1 0 321.289 -0.203 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1ccc2c(c1)NC(=O)CN2 ZINC000739733000 600164961 /nfs/dbraw/zinc/16/49/61/600164961.db2.gz CLJCUNSEXINAEF-UHFFFAOYSA-N -1 0 321.289 -0.202 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCNC(=O)c1ccco1 ZINC000737604875 600171385 /nfs/dbraw/zinc/17/13/85/600171385.db2.gz SETNHYGSJHRTSW-UHFFFAOYSA-N -1 0 312.278 -0.514 20 0 DBADRM Cc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c(=O)[nH]1 ZINC000738505009 600172029 /nfs/dbraw/zinc/17/20/29/600172029.db2.gz RRNJYGKYDSLBJW-UHFFFAOYSA-N -1 0 323.349 -0.045 20 0 DBADRM O=C(COC(=O)[C@H]1C[C@@H]1C(=O)[O-])NCCCN1CCCC1=O ZINC000739320195 600173421 /nfs/dbraw/zinc/17/34/21/600173421.db2.gz MGJQGAOIGGLVSZ-UWVGGRQHSA-N -1 0 312.322 -0.621 20 0 DBADRM C[C@H](OC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)N1CCC(C(N)=O)CC1 ZINC000736684005 600177393 /nfs/dbraw/zinc/17/73/93/600177393.db2.gz KCKZBANPTZJNOU-HGNGGELXSA-N -1 0 312.322 -0.637 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000736991841 600180912 /nfs/dbraw/zinc/18/09/12/600180912.db2.gz QEKKYYRAUSUNCK-UHFFFAOYSA-N -1 0 318.355 -0.025 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@@]23CCC(=O)N2CCS3)n[nH]1 ZINC000739900424 600182005 /nfs/dbraw/zinc/18/20/05/600182005.db2.gz KHFPRWPPSLKKBJ-NSHDSACASA-N -1 0 311.323 -0.564 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736146860 600195322 /nfs/dbraw/zinc/19/53/22/600195322.db2.gz DAKLGSSOVGOEOP-AWEZNQCLSA-N -1 0 321.333 -0.477 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000740304629 600197770 /nfs/dbraw/zinc/19/77/70/600197770.db2.gz VQHYDAXYSFTGJZ-SNVBAGLBSA-N -1 0 311.319 -0.068 20 0 DBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CCCNC(=O)[O-] ZINC000739153461 600199143 /nfs/dbraw/zinc/19/91/43/600199143.db2.gz MXUNSUIOOGSDNH-VIFPVBQESA-N -1 0 315.326 -0.556 20 0 DBADRM O=C([O-])NCCC(=O)OCC(=O)NC(=O)NCc1ccco1 ZINC000739949524 600200996 /nfs/dbraw/zinc/20/09/96/600200996.db2.gz WLFWSHKVXKXQTQ-UHFFFAOYSA-N -1 0 313.266 -0.194 20 0 DBADRM C[C@H](OC(=O)CCNC(=O)[O-])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000736685901 600203295 /nfs/dbraw/zinc/20/32/95/600203295.db2.gz DZPIIRABYVDXCZ-IUCAKERBSA-N -1 0 315.326 -0.700 20 0 DBADRM COc1ccnc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c1 ZINC000738143350 600212910 /nfs/dbraw/zinc/21/29/10/600212910.db2.gz XBJIBFCMAIWOEB-UHFFFAOYSA-N -1 0 323.349 -0.051 20 0 DBADRM CN(C)C(=O)CNS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000037225468 600219870 /nfs/dbraw/zinc/21/98/70/600219870.db2.gz RMPVKBVQVUPEOJ-UHFFFAOYSA-N -1 0 300.336 -0.108 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000739879653 600231081 /nfs/dbraw/zinc/23/10/81/600231081.db2.gz OUYNRTGTIOXOID-UHFFFAOYSA-N -1 0 320.305 -0.013 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000737220751 600237528 /nfs/dbraw/zinc/23/75/28/600237528.db2.gz NXIMUDDYXKCGAA-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)CCCC(=O)[O-] ZINC000736746655 600241320 /nfs/dbraw/zinc/24/13/20/600241320.db2.gz KMNASIRACANADT-RKDXNWHRSA-N -1 0 313.397 -0.312 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CN1Cc2ccccc2C1=O ZINC000737565497 600242002 /nfs/dbraw/zinc/24/20/02/600242002.db2.gz JJEQYGGPUMFTGI-LLVKDONJSA-N -1 0 320.301 -0.225 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc2nnc(C)n2c1 ZINC000737575931 600242842 /nfs/dbraw/zinc/24/28/42/600242842.db2.gz RWEYPBXSTAZYQB-VIFPVBQESA-N -1 0 306.278 -0.216 20 0 DBADRM NC(=O)CN1C[C@@H](OC(=O)c2cccc(C(=O)[O-])c2)CC1=O ZINC000739163361 600243239 /nfs/dbraw/zinc/24/32/39/600243239.db2.gz ONSFYFDLXUUNAY-JTQLQIEISA-N -1 0 306.274 -0.372 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc2nnc(C)n2c1)C(=O)[O-] ZINC000737591961 600243461 /nfs/dbraw/zinc/24/34/61/600243461.db2.gz OIMQGBXOKNCJKL-SECBINFHSA-N -1 0 306.278 -0.216 20 0 DBADRM NC(=O)CN1C[C@H](OC(=O)c2ccc(C(=O)[O-])cc2)CC1=O ZINC000739163380 600243523 /nfs/dbraw/zinc/24/35/23/600243523.db2.gz PZXVRQRXPVHBFE-SNVBAGLBSA-N -1 0 306.274 -0.372 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CSCN1C(C)=O ZINC000737567502 600244811 /nfs/dbraw/zinc/24/48/11/600244811.db2.gz QHGJUJWEZZTHKL-YUMQZZPRSA-N -1 0 304.324 -0.960 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H](C)OC[C@@H]1CCCO1)C(=O)[O-] ZINC000737598427 600246057 /nfs/dbraw/zinc/24/60/57/600246057.db2.gz PKGJTXRKYPZDHX-GUBZILKMSA-N -1 0 303.311 -0.297 20 0 DBADRM Cn1cc(C(=O)Oc2ccc(CC(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000739028504 600249369 /nfs/dbraw/zinc/24/93/69/600249369.db2.gz XSKQWQJSPGWJLE-UHFFFAOYSA-N -1 0 318.285 -0.070 20 0 DBADRM Cn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)c(=O)n(C)c1=O ZINC000739024567 600250715 /nfs/dbraw/zinc/25/07/15/600250715.db2.gz DBEOPSPHIRISJB-LLVKDONJSA-N -1 0 317.301 -0.360 20 0 DBADRM O=C([O-])CCSCCNC(=O)CCN1CCCS1(=O)=O ZINC000739743797 600253182 /nfs/dbraw/zinc/25/31/82/600253182.db2.gz WIVUASYYIKVDMB-UHFFFAOYSA-N -1 0 324.424 -0.264 20 0 DBADRM Cc1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])nn1C ZINC000738327738 600262452 /nfs/dbraw/zinc/26/24/52/600262452.db2.gz OARHFESHCBYWTK-UHFFFAOYSA-N -1 0 310.354 -0.412 20 0 DBADRM CNC(=O)c1cccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000737550102 600284603 /nfs/dbraw/zinc/28/46/03/600284603.db2.gz BWZXKGDXXAHJDK-LBPRGKRZSA-N -1 0 305.334 -0.179 20 0 DBADRM Cc1cccc(CNC(=O)CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000738708280 600286633 /nfs/dbraw/zinc/28/66/33/600286633.db2.gz MRKRFBPLSHXJQE-ZDUSSCGKSA-N -1 0 319.361 -0.114 20 0 DBADRM O=C([O-])CCc1nnc(NC(=O)N[C@@H]2CCCNC2=O)s1 ZINC000739776161 600292912 /nfs/dbraw/zinc/29/29/12/600292912.db2.gz CZUCFICWADYHDF-ZCFIWIBFSA-N -1 0 313.339 -0.045 20 0 DBADRM O=C([O-])CCc1nnc(NC(=O)NCCOCCO)s1 ZINC000739777269 600293002 /nfs/dbraw/zinc/29/30/02/600293002.db2.gz MJKOUQFTUDMIHK-UHFFFAOYSA-N -1 0 304.328 -0.314 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000739806846 600296716 /nfs/dbraw/zinc/29/67/16/600296716.db2.gz OVXYFBUOLZCTMZ-SNVBAGLBSA-N -1 0 324.337 -0.089 20 0 DBADRM COC(=O)CCCc1nc(CN2CCO[C@H](C(=O)[O-])C2)no1 ZINC000737596791 600299021 /nfs/dbraw/zinc/29/90/21/600299021.db2.gz VRDBIDUAHPHYBB-VIFPVBQESA-N -1 0 313.310 -0.149 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CNC(=O)c1ccccc1 ZINC000737605039 600305030 /nfs/dbraw/zinc/30/50/30/600305030.db2.gz JJPLRMYHUSTXCJ-UHFFFAOYSA-N -1 0 308.290 -0.497 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737409718 600311070 /nfs/dbraw/zinc/31/10/70/600311070.db2.gz XNAGVKDPRFDHHK-UHFFFAOYSA-N -1 0 313.697 -0.080 20 0 DBADRM CCc1nnc(CN(CCN2CCOCC2)CC(=O)[O-])n1C ZINC000737283840 600316501 /nfs/dbraw/zinc/31/65/01/600316501.db2.gz AVLDARMWOHZANU-UHFFFAOYSA-N -1 0 311.386 -0.404 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736670632 600318120 /nfs/dbraw/zinc/31/81/20/600318120.db2.gz OARHWQIMGXBMRQ-BDAKNGLRSA-N -1 0 304.368 -0.363 20 0 DBADRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)NCCOCCO)c1 ZINC000739429233 600330556 /nfs/dbraw/zinc/33/05/56/600330556.db2.gz UZNPIILCIDZENE-UHFFFAOYSA-N -1 0 314.269 -0.413 20 0 DBADRM CNC(=O)c1ccc(C)c(NC(=O)C(=O)NCCC(=O)[O-])c1 ZINC000737544811 600332177 /nfs/dbraw/zinc/33/21/77/600332177.db2.gz OJAUSTCMGPEFMW-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cccnc1-n1cccn1 ZINC000738590913 600333673 /nfs/dbraw/zinc/33/36/73/600333673.db2.gz MTVCKPRTVJIQBC-UHFFFAOYSA-N -1 0 303.278 -0.203 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000738587782 600333745 /nfs/dbraw/zinc/33/37/45/600333745.db2.gz HIYRKVHAKGNMNN-UHFFFAOYSA-N -1 0 303.278 -0.203 20 0 DBADRM NC(=O)CCOc1ccccc1NC(=O)C(=O)NCCC(=O)[O-] ZINC000739157672 600334721 /nfs/dbraw/zinc/33/47/21/600334721.db2.gz PSPPCNFADHOBJC-UHFFFAOYSA-N -1 0 323.305 -0.530 20 0 DBADRM NC(=O)c1ccc(NC(=O)C(=O)NCCCC(=O)[O-])cc1F ZINC000738443918 600337152 /nfs/dbraw/zinc/33/71/52/600337152.db2.gz YXAISYIWSLTNDH-UHFFFAOYSA-N -1 0 311.269 -0.156 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000739672753 600337351 /nfs/dbraw/zinc/33/73/51/600337351.db2.gz RGXUYRPNSNDUAD-UHFFFAOYSA-N -1 0 318.293 -0.418 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)CC(=O)N(C)C)c1C(=O)[O-] ZINC000070197657 600338893 /nfs/dbraw/zinc/33/88/93/600338893.db2.gz XXNVNUVNJGGKAE-UHFFFAOYSA-N -1 0 304.328 -0.875 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)CC(=O)NC2CC2)c1C(=O)[O-] ZINC000070197606 600339189 /nfs/dbraw/zinc/33/91/89/600339189.db2.gz OJRYUHNUKACKOO-UHFFFAOYSA-N -1 0 316.339 -0.685 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405406938 600342771 /nfs/dbraw/zinc/34/27/71/600342771.db2.gz JQIRALPXVNTKDJ-SECBINFHSA-N -1 0 319.383 -0.568 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1)C(=O)[O-] ZINC000736587736 600345098 /nfs/dbraw/zinc/34/50/98/600345098.db2.gz ZYAKPLBUGBHGAO-QMMMGPOBSA-N -1 0 318.293 -0.562 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)N(CCO)CCCO)n1 ZINC000738632444 600355277 /nfs/dbraw/zinc/35/52/77/600355277.db2.gz ULURXGGTMYGQIU-UHFFFAOYSA-N -1 0 303.340 -0.021 20 0 DBADRM COc1cccc([C@H](O)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])c1 ZINC000738092478 600367613 /nfs/dbraw/zinc/36/76/13/600367613.db2.gz POUHEVVHINWGKQ-UFBFGSQYSA-N -1 0 311.290 -0.139 20 0 DBADRM O=C(COC(=O)[C@H]1CNC(=O)N1)Nc1ccc(C(=O)[O-])cc1 ZINC000738471899 600369717 /nfs/dbraw/zinc/36/97/17/600369717.db2.gz NVZQMZKWUAURGT-SECBINFHSA-N -1 0 307.262 -0.452 20 0 DBADRM C[C@H](CN(C)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000736576371 600377015 /nfs/dbraw/zinc/37/70/15/600377015.db2.gz YUNLPRHJWVGNEP-OUAUKWLOSA-N -1 0 320.411 -0.327 20 0 DBADRM C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000737676894 600387540 /nfs/dbraw/zinc/38/75/40/600387540.db2.gz RPZAKTITXSVPKO-XHNCKOQMSA-N -1 0 302.327 -0.054 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)Cn1c(=O)cnc2ccccc21 ZINC000737770257 600383174 /nfs/dbraw/zinc/38/31/74/600383174.db2.gz VZTRGCVCKUPUAP-UHFFFAOYSA-N -1 0 319.317 -0.044 20 0 DBADRM C[C@@H](Oc1cccnc1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000736707964 600393461 /nfs/dbraw/zinc/39/34/61/600393461.db2.gz HHAZHQDMYSZRTK-KOLCDFICSA-N -1 0 307.306 -0.349 20 0 DBADRM COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])nn1 ZINC000737920343 600399679 /nfs/dbraw/zinc/39/96/79/600399679.db2.gz BNFVJFXZJICRGX-UHFFFAOYSA-N -1 0 324.337 -0.656 20 0 DBADRM COc1ncc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cn1 ZINC000738147196 600413996 /nfs/dbraw/zinc/41/39/96/600413996.db2.gz AXXZFNSCEKCVLH-UHFFFAOYSA-N -1 0 324.337 -0.656 20 0 DBADRM COCCCS(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737762386 600414736 /nfs/dbraw/zinc/41/47/36/600414736.db2.gz QKMPTEVSCZMZDG-UHFFFAOYSA-N -1 0 324.399 -0.929 20 0 DBADRM C[C@@H]1CN(CC(=O)N2CCC(C(=O)[O-])CC2)CCS1(=O)=O ZINC000736810417 600433758 /nfs/dbraw/zinc/43/37/58/600433758.db2.gz UTNQROSBSXBVIK-SNVBAGLBSA-N -1 0 318.395 -0.572 20 0 DBADRM CN1C[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCC1=O ZINC000084088316 600449508 /nfs/dbraw/zinc/44/95/08/600449508.db2.gz WLMGHHSOJONVKI-SNVBAGLBSA-N -1 0 319.383 -0.762 20 0 DBADRM CN1C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)CCC1=O ZINC000084088689 600450562 /nfs/dbraw/zinc/45/05/62/600450562.db2.gz YALLFZLQYFULLQ-SSDOTTSWSA-N -1 0 302.308 -0.123 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)CCC1=O ZINC000084088692 600450469 /nfs/dbraw/zinc/45/04/69/600450469.db2.gz YALLFZLQYFULLQ-ZETCQYMHSA-N -1 0 302.308 -0.123 20 0 DBADRM C[C@@H](CNS(=O)(=O)CCCC(=O)[O-])CN1CCOCC1 ZINC000736604440 600452355 /nfs/dbraw/zinc/45/23/55/600452355.db2.gz QXJDJGWHZPCXPX-NSHDSACASA-N -1 0 308.400 -0.261 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccnc(C2CC2)n1 ZINC000739634340 600459716 /nfs/dbraw/zinc/45/97/16/600459716.db2.gz MLDGYHGBVAVDGA-JTQLQIEISA-N -1 0 304.306 -0.231 20 0 DBADRM Cc1[nH]c(C(=O)N2CC[C@H](S(N)(=O)=O)C2)c(C)c1C(=O)[O-] ZINC000738162197 600460347 /nfs/dbraw/zinc/46/03/47/600460347.db2.gz UGKCSFYBRWISIF-QMMMGPOBSA-N -1 0 315.351 -0.167 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)NCCCCC(=O)[O-])CCO1 ZINC000736148232 600465324 /nfs/dbraw/zinc/46/53/24/600465324.db2.gz OTEORVKEWULZNZ-LLVKDONJSA-N -1 0 301.343 -0.212 20 0 DBADRM COC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000737754282 600471877 /nfs/dbraw/zinc/47/18/77/600471877.db2.gz SCBWCSNMXGLLDL-SNVBAGLBSA-N -1 0 310.306 -0.245 20 0 DBADRM C[C@@H](NC(=O)Cn1cnc(C(=O)[O-])n1)C(=O)N1CCCCC1 ZINC000736643612 600473582 /nfs/dbraw/zinc/47/35/82/600473582.db2.gz WWGXVUNPOCMOIT-SECBINFHSA-N -1 0 309.326 -0.507 20 0 DBADRM C[S@@](=O)c1nncn1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000738180442 600476261 /nfs/dbraw/zinc/47/62/61/600476261.db2.gz VFUNPDWKOBWCLQ-OAQYLSRUSA-N -1 0 314.367 -0.081 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cccc2c1OCCO2 ZINC000321309122 600493564 /nfs/dbraw/zinc/49/35/64/600493564.db2.gz BBXJWGZEDMTPEZ-SNVBAGLBSA-N -1 0 320.301 -0.127 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1cc[n+]([O-])cc1 ZINC000739787129 600494338 /nfs/dbraw/zinc/49/43/38/600494338.db2.gz XBGPCHNMCOSLQY-UHFFFAOYSA-N -1 0 309.322 -0.821 20 0 DBADRM CC(C)(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)NS(C)(=O)=O ZINC000111774693 600495247 /nfs/dbraw/zinc/49/52/47/600495247.db2.gz XTYCWZNBJGIBRQ-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CC1(C)COCCN1CCNS(=O)(=O)CCCC(=O)[O-] ZINC000736736255 600497992 /nfs/dbraw/zinc/49/79/92/600497992.db2.gz APMACQOXSBUDTL-UHFFFAOYSA-N -1 0 308.400 -0.119 20 0 DBADRM COCCN1CCN(S(=O)(=O)CCCC(=O)[O-])C[C@H]1C ZINC000737814467 600500613 /nfs/dbraw/zinc/50/06/13/600500613.db2.gz JOTNHNLYVPROCF-LLVKDONJSA-N -1 0 308.400 -0.167 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)Cn1cccnc1=O ZINC000739717462 600502024 /nfs/dbraw/zinc/50/20/24/600502024.db2.gz UEXNZDWABLTPKF-NSHDSACASA-N -1 0 309.322 -0.274 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN(C)CCN1CCOCC1)C(=O)[O-] ZINC000736879062 600508845 /nfs/dbraw/zinc/50/88/45/600508845.db2.gz OXKPTBNKJVKNFF-OCCSQVGLSA-N -1 0 315.414 -0.134 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN(C)CCN1CCOCC1)C(=O)[O-] ZINC000736879063 600509070 /nfs/dbraw/zinc/50/90/70/600509070.db2.gz OXKPTBNKJVKNFF-TZMCWYRMSA-N -1 0 315.414 -0.134 20 0 DBADRM CN1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1=O ZINC000737515434 600510114 /nfs/dbraw/zinc/51/01/14/600510114.db2.gz VPPBHPSRRBGMEY-JTQLQIEISA-N -1 0 323.280 -0.191 20 0 DBADRM Cc1cccc(N(CC(=O)[O-])C(=O)CN(C)S(C)(=O)=O)n1 ZINC000738719838 600525291 /nfs/dbraw/zinc/52/52/91/600525291.db2.gz KTDNXGNHTNJFJW-UHFFFAOYSA-N -1 0 315.351 -0.301 20 0 DBADRM CS(=O)(=O)NCCNC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000094555795 600527488 /nfs/dbraw/zinc/52/74/88/600527488.db2.gz PAEKQMHUXXFLCY-UHFFFAOYSA-N -1 0 305.312 -0.674 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000231020638 600531776 /nfs/dbraw/zinc/53/17/76/600531776.db2.gz SJYUMZMKMBSODW-UHFFFAOYSA-N -1 0 319.339 -0.284 20 0 DBADRM CN(CC(=O)NCCC(=O)[O-])CC(=O)NCc1cccs1 ZINC000737394512 600541879 /nfs/dbraw/zinc/54/18/79/600541879.db2.gz MIWVXHSXGPLOQI-UHFFFAOYSA-N -1 0 313.379 -0.113 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)CNC(=O)c1ccccn1 ZINC000737790956 600549490 /nfs/dbraw/zinc/54/94/90/600549490.db2.gz XFJGWYDOSQFENZ-UHFFFAOYSA-N -1 0 309.322 -0.239 20 0 DBADRM CC(C)N(CCC(=O)[O-])C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000362313198 600559083 /nfs/dbraw/zinc/55/90/83/600559083.db2.gz RPDUDUMVFLJHRG-UHFFFAOYSA-N -1 0 321.337 -0.158 20 0 DBADRM Cc1nnc(CN2CCN(c3ccc(C(=O)[O-])nn3)CC2)n1C ZINC000738931807 600560818 /nfs/dbraw/zinc/56/08/18/600560818.db2.gz MWBNFLBRYVMFMW-UHFFFAOYSA-N -1 0 317.353 -0.066 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)c1cccs1 ZINC000739269443 600575054 /nfs/dbraw/zinc/57/50/54/600575054.db2.gz XFLCANBJHAKKHQ-SNVBAGLBSA-N -1 0 323.330 -0.070 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](C)C(N)=O)cc1C(=O)[O-] ZINC000035794437 600576736 /nfs/dbraw/zinc/57/67/36/600576736.db2.gz RNZBIIRNCRKMTJ-ZCFIWIBFSA-N -1 0 302.308 -0.455 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)CNC(=O)c2ccc(F)cc2)n[nH]1 ZINC000739900163 600579307 /nfs/dbraw/zinc/57/93/07/600579307.db2.gz GPCXEBYHJBUJBG-UHFFFAOYSA-N -1 0 321.268 -0.061 20 0 DBADRM CS(=O)(=O)CC(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000738150317 600579927 /nfs/dbraw/zinc/57/99/27/600579927.db2.gz OAHXVIDFAAIRLW-SNVBAGLBSA-N -1 0 315.347 -0.204 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)C(=O)[O-] ZINC000262402951 600607804 /nfs/dbraw/zinc/60/78/04/600607804.db2.gz BEYAJLFTSFPTEP-MKPLZMMCSA-N -1 0 308.338 -0.081 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H]1CSCN1C(C)=O ZINC000737788149 600621397 /nfs/dbraw/zinc/62/13/97/600621397.db2.gz YSYYSXAZLCVDMR-JTQLQIEISA-N -1 0 304.368 -0.143 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCS(=O)(=O)C[C@H]1C)C(=O)[O-] ZINC000736412349 600622638 /nfs/dbraw/zinc/62/26/38/600622638.db2.gz MOFXTYGOKGQUMB-GHMZBOCLSA-N -1 0 320.411 -0.279 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1COc2ccccc21 ZINC000387090646 600630141 /nfs/dbraw/zinc/63/01/41/600630141.db2.gz ROCIGKLALDPNKZ-MNOVXSKESA-N -1 0 304.302 -0.036 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000737788115 600633366 /nfs/dbraw/zinc/63/33/66/600633366.db2.gz YQCSXWNXYSXVPD-JTQLQIEISA-N -1 0 301.343 -0.273 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(CCC(=O)N(C)CC(=O)[O-])C1CC1 ZINC000736607533 600642306 /nfs/dbraw/zinc/64/23/06/600642306.db2.gz SZSCDSCAQQZDNT-JTQLQIEISA-N -1 0 320.411 -0.183 20 0 DBADRM O=C([O-])COc1cccc(CNC(=O)CN2CC(=O)NC2=O)c1 ZINC000739832850 600648114 /nfs/dbraw/zinc/64/81/14/600648114.db2.gz NPKZDUAXIYMOBC-UHFFFAOYSA-N -1 0 321.289 -0.682 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)NCCCC(=O)[O-])CC2)n1C ZINC000738385692 600653240 /nfs/dbraw/zinc/65/32/40/600653240.db2.gz CQWVOHWJPINPCR-UHFFFAOYSA-N -1 0 324.385 -0.184 20 0 DBADRM C[C@H](OC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)NCC(=O)[O-] ZINC000827816530 600655349 /nfs/dbraw/zinc/65/53/49/600655349.db2.gz AAQGVEGCQKATMT-QMMMGPOBSA-N -1 0 321.351 -0.524 20 0 DBADRM COc1ncnc(OC)c1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000832659907 600664897 /nfs/dbraw/zinc/66/48/97/600664897.db2.gz PGNHVVSIFGQQSA-ZCFIWIBFSA-N -1 0 313.266 -0.760 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N1CCNC1=O ZINC000827810084 600675408 /nfs/dbraw/zinc/67/54/08/600675408.db2.gz KYZYXTSVVUSBHB-JGVFFNPUSA-N -1 0 301.299 -0.238 20 0 DBADRM COC(=O)N[C@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])C(C)C ZINC000831204331 600676048 /nfs/dbraw/zinc/67/60/48/600676048.db2.gz RAQLKPBUJREMNX-CBAPKCEASA-N -1 0 304.299 -0.501 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)CCSCC(=O)[O-])C1 ZINC000739193425 600680183 /nfs/dbraw/zinc/68/01/83/600680183.db2.gz PYOGZCVNUIBQOQ-MRVPVSSYSA-N -1 0 310.397 -0.526 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)CCSCC(=O)[O-])C1 ZINC000739193426 600680315 /nfs/dbraw/zinc/68/03/15/600680315.db2.gz PYOGZCVNUIBQOQ-QMMMGPOBSA-N -1 0 310.397 -0.526 20 0 DBADRM NC(=O)[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000021800235 600690645 /nfs/dbraw/zinc/69/06/45/600690645.db2.gz BJFXLADNQYWJTL-ZETCQYMHSA-N -1 0 301.324 -0.401 20 0 DBADRM CCCCN(CC(N)=O)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000037837252 600709420 /nfs/dbraw/zinc/70/94/20/600709420.db2.gz FVTOJXWTIIDMAD-UHFFFAOYSA-N -1 0 318.355 -0.756 20 0 DBADRM NC(=O)Cn1cc(C(=O)OCc2ccc(C(=O)[O-])cc2)nn1 ZINC000819116909 600711995 /nfs/dbraw/zinc/71/19/95/600711995.db2.gz IQMCYJZYRCNSKX-UHFFFAOYSA-N -1 0 304.262 -0.181 20 0 DBADRM CN1CCN(CC(=O)NCCc2ccc(C(=O)[O-])cc2)CC1=O ZINC000737526648 600716009 /nfs/dbraw/zinc/71/60/09/600716009.db2.gz VXWUPIOFEMFWME-UHFFFAOYSA-N -1 0 319.361 -0.183 20 0 DBADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000095017717 600716350 /nfs/dbraw/zinc/71/63/50/600716350.db2.gz XBLQNMSYXHHCQG-QMMMGPOBSA-N -1 0 317.323 -0.849 20 0 DBADRM CN1CCC[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000040673301 600720925 /nfs/dbraw/zinc/72/09/25/600720925.db2.gz ADSMIUBXIUXLOX-VIFPVBQESA-N -1 0 302.356 -0.660 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cn(Cc2ccccn2)nn1 ZINC000821532363 600721644 /nfs/dbraw/zinc/72/16/44/600721644.db2.gz KNVOIAUZIHWCFB-UHFFFAOYSA-N -1 0 319.277 -0.921 20 0 DBADRM CN1CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1=O ZINC000084199505 600723620 /nfs/dbraw/zinc/72/36/20/600723620.db2.gz PQNHQFOWRKIGCN-UHFFFAOYSA-N -1 0 312.347 -0.011 20 0 DBADRM Cc1noc(CCNS(=O)(=O)c2cnn(CC(=O)[O-])c2)n1 ZINC000231881789 600729157 /nfs/dbraw/zinc/72/91/57/600729157.db2.gz DVUXNODEUXINEW-UHFFFAOYSA-N -1 0 315.311 -0.820 20 0 DBADRM Cc1nnc2n1CCN(S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C2 ZINC000833019939 600746361 /nfs/dbraw/zinc/74/63/61/600746361.db2.gz WNUZZRBKQRBEBB-UHFFFAOYSA-N -1 0 311.323 -0.183 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000818638754 600755087 /nfs/dbraw/zinc/75/50/87/600755087.db2.gz CHZQUCPECQALHW-SECBINFHSA-N -1 0 308.356 -0.836 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000832670697 600755420 /nfs/dbraw/zinc/75/54/20/600755420.db2.gz ZIYZPOXUBOJJNM-SNVBAGLBSA-N -1 0 322.383 -0.446 20 0 DBADRM CCCN(CC1CC1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821095179 607466404 /nfs/dbraw/zinc/46/64/04/607466404.db2.gz ZVUASRLSANQWOS-UHFFFAOYSA-N -1 0 319.369 -0.110 20 0 DBADRM CCCCn1c(N)c(N(C)C[C@@](C)(O)C(=O)[O-])c(=O)[nH]c1=O ZINC000737005032 600761735 /nfs/dbraw/zinc/76/17/35/600761735.db2.gz ZLAMCWRKRSAECH-CYBMUJFWSA-N -1 0 314.342 -0.397 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCCCNC2=O)cc1C(=O)[O-] ZINC000037028114 600769299 /nfs/dbraw/zinc/76/92/99/600769299.db2.gz AYNCWBHRQQKGCB-SECBINFHSA-N -1 0 315.351 -0.330 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000833228326 600784476 /nfs/dbraw/zinc/78/44/76/600784476.db2.gz LRVDHJDPYMWVPA-GFCCVEGCSA-N -1 0 320.411 -0.022 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC000738154952 600784636 /nfs/dbraw/zinc/78/46/36/600784636.db2.gz NDTLKUAYBDECCV-YUMQZZPRSA-N -1 0 301.324 -0.413 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000090906499 600789751 /nfs/dbraw/zinc/78/97/51/600789751.db2.gz URRNIOMTERFANS-DTORHVGOSA-N -1 0 301.324 -0.480 20 0 DBADRM CCO[C@@H]1C[C@H](O)C12CCN(CC(=O)NCC(=O)[O-])CC2 ZINC000737164925 600808672 /nfs/dbraw/zinc/80/86/72/600808672.db2.gz LBNBYQKWOGGDDC-WDEREUQCSA-N -1 0 300.355 -0.561 20 0 DBADRM COC(=O)CCNC(=O)c1ccnc(C(=O)NCCC(=O)[O-])c1 ZINC000737598628 600815985 /nfs/dbraw/zinc/81/59/85/600815985.db2.gz GEPGMSDWQCMSOI-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NCCC(=O)[O-] ZINC000739170831 600815987 /nfs/dbraw/zinc/81/59/87/600815987.db2.gz RAOMYZFPOWJONA-LBPRGKRZSA-N -1 0 305.334 -0.511 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CSc1n[nH]c(C)n1 ZINC000831170329 600838389 /nfs/dbraw/zinc/83/83/89/600838389.db2.gz KJFRLNVWUWNFAZ-UHFFFAOYSA-N -1 0 302.312 -0.709 20 0 DBADRM O=C([O-])CCCN1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000821524163 600841109 /nfs/dbraw/zinc/84/11/09/600841109.db2.gz HYHBDAFGSYYXIM-UHFFFAOYSA-N -1 0 317.367 -0.013 20 0 DBADRM O=C([O-])CN(CC(=O)NC[C@@H]1CCCO1)C1CCOCC1 ZINC000833247478 600854244 /nfs/dbraw/zinc/85/42/44/600854244.db2.gz KWDYMVNYJXBNHT-LBPRGKRZSA-N -1 0 300.355 -0.153 20 0 DBADRM C[C@@H]1CN(C(=O)CN(CC(=O)[O-])C2CCOCC2)CCO1 ZINC000828340712 600856961 /nfs/dbraw/zinc/85/69/61/600856961.db2.gz KPUSTLCJCDZXJH-LLVKDONJSA-N -1 0 300.355 -0.201 20 0 DBADRM NC(=O)Cn1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2)nn1 ZINC000833082817 600863559 /nfs/dbraw/zinc/86/35/59/600863559.db2.gz HJQKXBDFDPTKBL-UHFFFAOYSA-N -1 0 317.305 -0.510 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)nn1 ZINC000833082886 600869934 /nfs/dbraw/zinc/86/99/34/600869934.db2.gz IQULYXPOOSRPMZ-SECBINFHSA-N -1 0 309.307 -0.619 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC000737944395 600870676 /nfs/dbraw/zinc/87/06/76/600870676.db2.gz LOZYZJZLFCLUDZ-UHFFFAOYSA-N -1 0 313.335 -0.021 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000111476626 600874962 /nfs/dbraw/zinc/87/49/62/600874962.db2.gz KRTXVCHIRWLQOH-WDEREUQCSA-N -1 0 318.395 -0.019 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CSc1n[nH]c(C)n1)C(=O)[O-] ZINC000831129171 600877844 /nfs/dbraw/zinc/87/78/44/600877844.db2.gz RWIBNAGVEYSEDN-ZCFIWIBFSA-N -1 0 302.312 -0.662 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)NC[C@@H]1COCCO1 ZINC000833140538 600878970 /nfs/dbraw/zinc/87/89/70/600878970.db2.gz RKORXNMNCCSSCX-SSDOTTSWSA-N -1 0 314.319 -0.084 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000231024224 600882684 /nfs/dbraw/zinc/88/26/84/600882684.db2.gz MBOKFAKJEJBOPR-UWVGGRQHSA-N -1 0 306.384 -0.067 20 0 DBADRM CN(C(=O)c1cn(CC(N)=O)nn1)[C@H](C(=O)[O-])c1ccccc1 ZINC000830537444 600889710 /nfs/dbraw/zinc/88/97/10/600889710.db2.gz JXQKVBMPFKCZMN-LBPRGKRZSA-N -1 0 317.305 -0.339 20 0 DBADRM CCn1c(=O)c2ccccc2n(CC(=O)NCCC(=O)[O-])c1=O ZINC000739562854 600891847 /nfs/dbraw/zinc/89/18/47/600891847.db2.gz VCQUYMQPEMQBKT-UHFFFAOYSA-N -1 0 319.317 -0.226 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)[O-] ZINC000737589301 600901239 /nfs/dbraw/zinc/90/12/39/600901239.db2.gz CIRMWBVIEHRNOK-VIFPVBQESA-N -1 0 320.257 -0.684 20 0 DBADRM Cn1cc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)c(=O)n(C)c1=O ZINC000833041154 600911581 /nfs/dbraw/zinc/91/15/81/600911581.db2.gz GRSVRDHWAPXMHF-JTQLQIEISA-N -1 0 318.289 -0.965 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000739553827 600913871 /nfs/dbraw/zinc/91/38/71/600913871.db2.gz RVZHSKWPJMRJHQ-MNOVXSKESA-N -1 0 322.321 -0.599 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N[C@H](C(=O)[O-])c1ccccn1 ZINC000826971972 600916620 /nfs/dbraw/zinc/91/66/20/600916620.db2.gz ULTHNYLCSTWTDF-AWEZNQCLSA-N -1 0 322.365 -0.220 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N[C@@H](C(=O)[O-])c2ccccn2)C1=O ZINC000828081747 600916696 /nfs/dbraw/zinc/91/66/96/600916696.db2.gz BHGMRCNSFLJKHJ-SNVBAGLBSA-N -1 0 320.305 -0.346 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC000826971973 600916774 /nfs/dbraw/zinc/91/67/74/600916774.db2.gz ULTHNYLCSTWTDF-CQSZACIVSA-N -1 0 322.365 -0.220 20 0 DBADRM CC(C)C[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000736404716 600924812 /nfs/dbraw/zinc/92/48/12/600924812.db2.gz XROBDCMWVFEXFT-LLVKDONJSA-N -1 0 320.411 -0.420 20 0 DBADRM COC(=O)c1ccc(NC(=O)Cn2cnnn2)cc1C(=O)[O-] ZINC000831404890 600944519 /nfs/dbraw/zinc/94/45/19/600944519.db2.gz NCIMRVRKTXRUJC-UHFFFAOYSA-N -1 0 305.250 -0.203 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)C(N)=O ZINC000825879113 600946746 /nfs/dbraw/zinc/94/67/46/600946746.db2.gz JJFDIKKEHFVPSW-MNOVXSKESA-N -1 0 319.317 -0.419 20 0 DBADRM CC(C)C[C@@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000826811700 600952836 /nfs/dbraw/zinc/95/28/36/600952836.db2.gz FCDQLPSAYDWXCM-SNVBAGLBSA-N -1 0 322.383 -0.056 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000827767752 600954824 /nfs/dbraw/zinc/95/48/24/600954824.db2.gz JUOCQTDIQRAAAC-UWVGGRQHSA-N -1 0 322.383 -0.594 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000827767753 600955075 /nfs/dbraw/zinc/95/50/75/600955075.db2.gz JUOCQTDIQRAAAC-VHSXEESVSA-N -1 0 322.383 -0.594 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000829680389 600957696 /nfs/dbraw/zinc/95/76/96/600957696.db2.gz YBJPRAYENWQIFM-UHFFFAOYSA-N -1 0 319.343 -0.958 20 0 DBADRM COCCS(=O)(=O)CC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000831788290 600959700 /nfs/dbraw/zinc/95/97/00/600959700.db2.gz NSNLEQRTTKFQTK-UHFFFAOYSA-N -1 0 323.367 -0.860 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)OCCN1C(=O)c2ccncc2C1=O ZINC000833180701 600961412 /nfs/dbraw/zinc/96/14/12/600961412.db2.gz GRPOTLLBSHARCN-BDAKNGLRSA-N -1 0 304.258 -0.059 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)OCCN1C(=O)c2ccncc2C1=O ZINC000833180707 600961587 /nfs/dbraw/zinc/96/15/87/600961587.db2.gz GRPOTLLBSHARCN-RKDXNWHRSA-N -1 0 304.258 -0.059 20 0 DBADRM C[C@H](C(=O)N(CCC(=O)[O-])C1CCOCC1)S(C)(=O)=O ZINC000825977957 600964314 /nfs/dbraw/zinc/96/43/14/600964314.db2.gz SYYRUJKHNQKXJU-SECBINFHSA-N -1 0 307.368 -0.098 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCO[C@@H](COC)C1)C(=O)[O-] ZINC000736887955 600968853 /nfs/dbraw/zinc/96/88/53/600968853.db2.gz SYAYVJPTDTVBDX-DMDPSCGWSA-N -1 0 302.371 -0.051 20 0 DBADRM CS(=O)(=O)NCCn1nnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000738165415 600988214 /nfs/dbraw/zinc/98/82/14/600988214.db2.gz SNNILEQNXDNYBP-UHFFFAOYSA-N -1 0 311.323 -0.413 20 0 DBADRM Nc1nc(N)nc(Cn2nnc(-c3ccc(C(=O)[O-])cc3)n2)n1 ZINC000739202375 600991021 /nfs/dbraw/zinc/99/10/21/600991021.db2.gz FTUCGKWLCYKDGW-UHFFFAOYSA-N -1 0 313.281 -0.564 20 0 DBADRM C[C@@H](CNS(=O)(=O)N(C)CCC(=O)[O-])Cn1cccn1 ZINC000827503601 600993027 /nfs/dbraw/zinc/99/30/27/600993027.db2.gz ZXFHMYWAJUJRKC-JTQLQIEISA-N -1 0 304.372 -0.240 20 0 DBADRM COC(=O)C1(NS(=O)(=O)N(C)CCC(=O)[O-])CCCC1 ZINC000831095065 600993581 /nfs/dbraw/zinc/99/35/81/600993581.db2.gz ZUJSQGMGCFWXAN-UHFFFAOYSA-N -1 0 308.356 -0.287 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N(CC(N)=O)C1CCCC1 ZINC000088769574 600993817 /nfs/dbraw/zinc/99/38/17/600993817.db2.gz VTFWFMSIOWDEKR-UHFFFAOYSA-N -1 0 307.372 -0.632 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1CC(=O)NC(=O)NC1CC1 ZINC000091131213 601016680 /nfs/dbraw/zinc/01/66/80/601016680.db2.gz WZJAANWVGDUNEG-VIFPVBQESA-N -1 0 301.368 -0.133 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCSC[C@@H]1CC(=O)[O-] ZINC000829847907 601019900 /nfs/dbraw/zinc/01/99/00/601019900.db2.gz QUXJVDVWTPNAFU-JTQLQIEISA-N -1 0 318.395 -0.100 20 0 DBADRM Cn1ccc(N2CCC[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2=O)n1 ZINC000739037541 601044817 /nfs/dbraw/zinc/04/48/17/601044817.db2.gz AZWIPPKYJDKSQQ-GUBZILKMSA-N -1 0 306.322 -0.248 20 0 DBADRM C/C(=C/CN1CCN(CC(=O)N2CCOCC2)CC1)C(=O)[O-] ZINC000825742284 601048086 /nfs/dbraw/zinc/04/80/86/601048086.db2.gz XWATWGWPPKXUHT-SILLCRNTSA-N -1 0 311.382 -0.506 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000830795312 601058281 /nfs/dbraw/zinc/05/82/81/601058281.db2.gz OFZTUEYXRXBEHR-UHFFFAOYSA-N -1 0 304.328 -0.524 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000827460772 601060617 /nfs/dbraw/zinc/06/06/17/601060617.db2.gz BEHZVWVPGAMSEB-SNVBAGLBSA-N -1 0 311.342 -0.190 20 0 DBADRM CCN1CCO[C@H](CNC(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC000829785718 601062159 /nfs/dbraw/zinc/06/21/59/601062159.db2.gz DINHSJSVOMQZIS-SNVBAGLBSA-N -1 0 311.342 -0.190 20 0 DBADRM COc1cc(C(=O)[O-])cc(NC(=O)NC(CO)CO)c1OC ZINC000831897214 601081187 /nfs/dbraw/zinc/08/11/87/601081187.db2.gz LMBDIZKPNQBQHB-UHFFFAOYSA-N -1 0 314.294 -0.123 20 0 DBADRM O=C(CN1CC(=O)NC1=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000738458731 601082313 /nfs/dbraw/zinc/08/23/13/601082313.db2.gz BDPITVIODZOGMQ-JTQLQIEISA-N -1 0 305.290 -0.477 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000827361437 601085495 /nfs/dbraw/zinc/08/54/95/601085495.db2.gz AGRRXGCQABXCFL-NSHDSACASA-N -1 0 320.411 -0.183 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000827355089 601085885 /nfs/dbraw/zinc/08/58/85/601085885.db2.gz IJZVCLPQTGCYTJ-MNOVXSKESA-N -1 0 318.395 -0.572 20 0 DBADRM Cn1ccnc(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)c1=O ZINC000833058865 601099473 /nfs/dbraw/zinc/09/94/73/601099473.db2.gz IRBRLLLRCRTFHI-UWVGGRQHSA-N -1 0 306.322 -0.850 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000830125877 601106379 /nfs/dbraw/zinc/10/63/79/601106379.db2.gz JLEOLEDPKMSUIU-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM NC(=O)Cn1cc(C(=O)NCCc2ccc(C(=O)[O-])cc2)nn1 ZINC000739160804 601115951 /nfs/dbraw/zinc/11/59/51/601115951.db2.gz LKAVNJFDDBAKKO-UHFFFAOYSA-N -1 0 317.305 -0.566 20 0 DBADRM CN(CC(=O)N[C@@H](C(=O)[O-])c1ccccn1)S(C)(=O)=O ZINC000737388936 601124470 /nfs/dbraw/zinc/12/44/70/601124470.db2.gz JVCPATVNFAHZTR-SNVBAGLBSA-N -1 0 301.324 -0.785 20 0 DBADRM O=C([O-])CCc1nnc(NC(=O)N2CCO[C@@H](CO)C2)s1 ZINC000833241280 601131803 /nfs/dbraw/zinc/13/18/03/601131803.db2.gz DUWKENISQUPFAJ-SSDOTTSWSA-N -1 0 316.339 -0.220 20 0 DBADRM CCN(C/C=C(\C)C(=O)[O-])CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000829692904 601154102 /nfs/dbraw/zinc/15/41/02/601154102.db2.gz QPIZRSRUTJGBKI-INJWIWPUSA-N -1 0 318.395 -0.358 20 0 DBADRM C[C@H]1CN=C(N2CCN(CC(=O)NCCC(=O)[O-])CC2)S1 ZINC000828500466 601155226 /nfs/dbraw/zinc/15/52/26/601155226.db2.gz SDFALURIUMQPBL-JTQLQIEISA-N -1 0 314.411 -0.314 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCCNC(=O)C2)cc1C(=O)[O-] ZINC000832937172 601164408 /nfs/dbraw/zinc/16/44/08/601164408.db2.gz FJMJUBQMOITEPE-UHFFFAOYSA-N -1 0 319.317 -0.020 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)cc1C(=O)[O-] ZINC000832939357 601167940 /nfs/dbraw/zinc/16/79/40/601167940.db2.gz FKPWPPLSBJEGKC-LLVKDONJSA-N -1 0 319.317 -0.021 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C(=O)Nc2ccn(C)n2)CC1 ZINC000827354028 601171938 /nfs/dbraw/zinc/17/19/38/601171938.db2.gz ASYCZYVOJNBMPQ-JTQLQIEISA-N -1 0 323.353 -0.634 20 0 DBADRM COC(=O)C[C@H](NC(=O)CC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000831129205 601179587 /nfs/dbraw/zinc/17/95/87/601179587.db2.gz TZIWSUDDERABKQ-QMMMGPOBSA-N -1 0 321.351 -0.666 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CC1(CS(C)(=O)=O)CC1 ZINC000831067583 601179627 /nfs/dbraw/zinc/17/96/27/601179627.db2.gz UMOSHAUKDVNVOI-MRVPVSSYSA-N -1 0 321.351 -0.666 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NCC(=O)N2CCOCC2)cc1 ZINC000833252913 601187042 /nfs/dbraw/zinc/18/70/42/601187042.db2.gz ATEQARFHQNFOAT-UHFFFAOYSA-N -1 0 321.333 -0.228 20 0 DBADRM CC(C)c1nnnn1CC(=O)OCc1noc(CCC(=O)[O-])n1 ZINC000827175675 601189762 /nfs/dbraw/zinc/18/97/62/601189762.db2.gz XKAZNFGLHXYTPE-UHFFFAOYSA-N -1 0 324.297 -0.060 20 0 DBADRM Cc1cc(NC(=O)CN(C)C(=O)Cn2cc(C(=O)[O-])nn2)no1 ZINC000832893582 601196937 /nfs/dbraw/zinc/19/69/37/601196937.db2.gz RHXLZFOKVMBPRB-UHFFFAOYSA-N -1 0 322.281 -0.630 20 0 DBADRM Cc1nccn1C[C@H](C)CNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833010974 601197555 /nfs/dbraw/zinc/19/75/55/601197555.db2.gz PRRCHUGZPNDSPN-SECBINFHSA-N -1 0 306.326 -0.066 20 0 DBADRM Cc1nccn1C[C@@H](C)CNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833010975 601197610 /nfs/dbraw/zinc/19/76/10/601197610.db2.gz PRRCHUGZPNDSPN-VIFPVBQESA-N -1 0 306.326 -0.066 20 0 DBADRM CN(Cc1nnc2ccccn21)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000830883069 601199345 /nfs/dbraw/zinc/19/93/45/601199345.db2.gz HPPOMLXWECJSEG-UHFFFAOYSA-N -1 0 315.293 -0.322 20 0 DBADRM CCN(C(=O)Cn1cc(C(=O)[O-])nn1)[C@@H](C)CS(C)(=O)=O ZINC000829598047 601200329 /nfs/dbraw/zinc/20/03/29/601200329.db2.gz XXFLIIWBTXNHOI-QMMMGPOBSA-N -1 0 318.355 -0.742 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCOC1=O ZINC000020557216 601205102 /nfs/dbraw/zinc/20/51/02/601205102.db2.gz ULQWDQQSTZLVGX-QMMMGPOBSA-N -1 0 315.303 -0.013 20 0 DBADRM COC(=O)C[C@@H](O)Cn1nnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000831184623 601208455 /nfs/dbraw/zinc/20/84/55/601208455.db2.gz GCUGIHGVZMFRGQ-SNVBAGLBSA-N -1 0 306.278 -0.038 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000831072582 601213069 /nfs/dbraw/zinc/21/30/69/601213069.db2.gz KWEUEBZSJRKFPY-SSDOTTSWSA-N -1 0 319.339 -0.172 20 0 DBADRM CCS(=O)(=O)c1ccccc1C(=O)N[C@H](CO)C(=O)[O-] ZINC000037450973 601215721 /nfs/dbraw/zinc/21/57/21/601215721.db2.gz QQRJTLNBIGLEBY-SECBINFHSA-N -1 0 301.320 -0.345 20 0 DBADRM Cc1oc(S(=O)(=O)N2CCN(C)C(=O)C2)cc1C(=O)[O-] ZINC000833028679 601223139 /nfs/dbraw/zinc/22/31/39/601223139.db2.gz ZCNNUYFZGZGYCC-UHFFFAOYSA-N -1 0 302.308 -0.251 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CC(N)=O ZINC000136091824 601251114 /nfs/dbraw/zinc/25/11/14/601251114.db2.gz WMWKMYPRLUOMJO-SSDOTTSWSA-N -1 0 316.335 -0.064 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCCC(=O)NC1CC1 ZINC000092987704 601254987 /nfs/dbraw/zinc/25/49/87/601254987.db2.gz PPABYSLNIPGMQR-UHFFFAOYSA-N -1 0 307.372 -0.714 20 0 DBADRM CCCN(CC(=O)N(C)C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000088770070 601256178 /nfs/dbraw/zinc/25/61/78/601256178.db2.gz HKWJWXMKZREADO-UHFFFAOYSA-N -1 0 309.388 -0.562 20 0 DBADRM CC(=O)NCC1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000226302723 601256211 /nfs/dbraw/zinc/25/62/11/601256211.db2.gz WFZQLUGAKOXQPF-UHFFFAOYSA-N -1 0 321.399 -0.514 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000827385717 601258055 /nfs/dbraw/zinc/25/80/55/601258055.db2.gz NWQFXJFHGSXGSY-SNVBAGLBSA-N -1 0 316.383 -0.410 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000827385487 601258131 /nfs/dbraw/zinc/25/81/31/601258131.db2.gz LNXLFPJQAOAGEE-LLVKDONJSA-N -1 0 321.399 -0.956 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCC(=O)NC(C)(C)C ZINC000228322915 601259025 /nfs/dbraw/zinc/25/90/25/601259025.db2.gz OYJWAZAJLDCJDV-UHFFFAOYSA-N -1 0 309.388 -0.468 20 0 DBADRM COC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000228462592 601259118 /nfs/dbraw/zinc/25/91/18/601259118.db2.gz KULGRHWUPVUHAK-SECBINFHSA-N -1 0 308.356 -0.477 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000827386929 601259126 /nfs/dbraw/zinc/25/91/26/601259126.db2.gz ZCVVZHKPIRUCJZ-NEPJUHHUSA-N -1 0 320.411 -0.024 20 0 DBADRM C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1nnc2n1CCC2 ZINC000088768598 601259679 /nfs/dbraw/zinc/25/96/79/601259679.db2.gz JHQFGXRCJCMHRI-MRVPVSSYSA-N -1 0 317.371 -0.474 20 0 DBADRM CO[C@@H](CNS(=O)(=O)N(C)CCC(=O)[O-])C(F)(F)F ZINC000831519754 601261803 /nfs/dbraw/zinc/26/18/03/601261803.db2.gz RHZHSLGHWVWEQZ-LURJTMIESA-N -1 0 308.278 -0.195 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000698769940 601262296 /nfs/dbraw/zinc/26/22/96/601262296.db2.gz CNDKKLOKHKSIBW-ZETCQYMHSA-N -1 0 320.289 -0.099 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000827547176 601272350 /nfs/dbraw/zinc/27/23/50/601272350.db2.gz SFASUWJSSIAJDP-SNVBAGLBSA-N -1 0 314.367 -0.351 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCN(CC(F)(F)F)CC2)nn1 ZINC000387630891 601273192 /nfs/dbraw/zinc/27/31/92/601273192.db2.gz QAYYOBBQXRJNRC-UHFFFAOYSA-N -1 0 321.259 -0.317 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCN(Cc3ccco3)CC2)nn1 ZINC000833339778 601273701 /nfs/dbraw/zinc/27/37/01/601273701.db2.gz KQGSJPFFFIMMCN-UHFFFAOYSA-N -1 0 319.321 -0.086 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cnc2c(cnn2C)c1)C(=O)[O-] ZINC000831133567 601274342 /nfs/dbraw/zinc/27/43/42/601274342.db2.gz GNVZCNWWKLBAEP-VIFPVBQESA-N -1 0 306.278 -0.286 20 0 DBADRM CN(C(=O)c1cn(CC(N)=O)nn1)c1ccccc1C(=O)[O-] ZINC000830537678 601275859 /nfs/dbraw/zinc/27/58/59/601275859.db2.gz NZGTXUAFAJFYHM-UHFFFAOYSA-N -1 0 303.278 -0.262 20 0 DBADRM CCC(=O)N1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000828560902 601277914 /nfs/dbraw/zinc/27/79/14/601277914.db2.gz BUAPKKJKQFNZRR-UHFFFAOYSA-N -1 0 309.326 -0.553 20 0 DBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000829832738 601279459 /nfs/dbraw/zinc/27/94/59/601279459.db2.gz PRUCJFVUGNDBHK-JTQLQIEISA-N -1 0 310.310 -0.080 20 0 DBADRM C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)[C@H](C)N1CCOCC1 ZINC000827637964 601282361 /nfs/dbraw/zinc/28/23/61/601282361.db2.gz YZPLSGUHKFXTMN-UWVGGRQHSA-N -1 0 311.342 -0.798 20 0 DBADRM CC(C)c1nnc2n1CCN(C(=O)Cn1cc(C(=O)[O-])nn1)C2 ZINC000827175152 601282927 /nfs/dbraw/zinc/28/29/27/601282927.db2.gz FDOGXSTYENAAGJ-UHFFFAOYSA-N -1 0 319.325 -0.266 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H]2Cn2cccn2)nn1 ZINC000833340143 601283370 /nfs/dbraw/zinc/28/33/70/601283370.db2.gz PXEGJVAFIRSKPH-SNVBAGLBSA-N -1 0 304.310 -0.136 20 0 DBADRM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000830542966 601286714 /nfs/dbraw/zinc/28/67/14/601286714.db2.gz RUCULRLKEXQWFT-ZJUUUORDSA-N -1 0 323.353 -0.261 20 0 DBADRM Cc1nc2n(c1C)CCN(C(=O)Cn1cc(C(=O)[O-])nn1)C2 ZINC000833007523 601288554 /nfs/dbraw/zinc/28/85/54/601288554.db2.gz OETLDYKFAJAUJM-UHFFFAOYSA-N -1 0 304.310 -0.168 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)Cn1nc2ccccn2c1=O ZINC000262104367 601290548 /nfs/dbraw/zinc/29/05/48/601290548.db2.gz NIADLICKJAUBLM-CQSZACIVSA-N -1 0 322.321 -0.508 20 0 DBADRM COC(=O)[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccccn1 ZINC000831077984 601290542 /nfs/dbraw/zinc/29/05/42/601290542.db2.gz GUZBUVQHIJGTHX-LLVKDONJSA-N -1 0 319.277 -0.598 20 0 DBADRM Cn1cc(C[C@@H]2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)C2)cn1 ZINC000833044449 601291861 /nfs/dbraw/zinc/29/18/61/601291861.db2.gz YVRBXLNXNGDRFZ-JTQLQIEISA-N -1 0 318.337 -0.199 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000826126520 601292090 /nfs/dbraw/zinc/29/20/90/601292090.db2.gz FMDRKMKDNPAKLM-UHFFFAOYSA-N -1 0 320.349 -0.199 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@](C)(COC)CC(=O)[O-])CC1=O ZINC000831740531 601295169 /nfs/dbraw/zinc/29/51/69/601295169.db2.gz HBTPFOWFHUMWDM-YGRLFVJLSA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CSc1nncn1C ZINC000831553833 601303426 /nfs/dbraw/zinc/30/34/26/601303426.db2.gz BFUPXZWYOQFFKI-LLVKDONJSA-N -1 0 302.356 -0.097 20 0 DBADRM CNS(=O)(=O)CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000831024642 601308066 /nfs/dbraw/zinc/30/80/66/601308066.db2.gz IKSPAQIXQYZHCQ-UHFFFAOYSA-N -1 0 300.336 -0.108 20 0 DBADRM CNS(=O)(=O)CC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000831025563 601308465 /nfs/dbraw/zinc/30/84/65/601308465.db2.gz SLYCRFMJYBPPFS-UHFFFAOYSA-N -1 0 301.324 -0.058 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000830556664 601312656 /nfs/dbraw/zinc/31/26/56/601312656.db2.gz IFUFCPCWGQZFTF-SECBINFHSA-N -1 0 324.341 -0.305 20 0 DBADRM O=C([O-])CC1(NC(=O)CCN2CCOCC2)CCOCC1 ZINC000833202763 601330312 /nfs/dbraw/zinc/33/03/12/601330312.db2.gz BOZCIWGZQHXRED-UHFFFAOYSA-N -1 0 300.355 -0.151 20 0 DBADRM CNC(=O)CN1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC000830991557 601332163 /nfs/dbraw/zinc/33/21/63/601332163.db2.gz CUDLEJGRYLYFCA-UHFFFAOYSA-N -1 0 303.384 -0.916 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCCCCC(=O)[O-] ZINC000820641215 601333269 /nfs/dbraw/zinc/33/32/69/601333269.db2.gz NKRROIJLUXOEGF-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000769516067 601340684 /nfs/dbraw/zinc/34/06/84/601340684.db2.gz OTORCOUEBSJYDX-SNVBAGLBSA-N -1 0 300.336 -0.132 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000831025632 601341448 /nfs/dbraw/zinc/34/14/48/601341448.db2.gz VHLFKAQIOQZYFF-SNVBAGLBSA-N -1 0 322.289 -0.244 20 0 DBADRM CNS(=O)(=O)CC(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000831024077 601341734 /nfs/dbraw/zinc/34/17/34/601341734.db2.gz BZHNIHIRHHCTBN-UHFFFAOYSA-N -1 0 322.368 -0.567 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)NC(CO)CO)ccc1Cl ZINC000833159900 601347089 /nfs/dbraw/zinc/34/70/89/601347089.db2.gz YFFLDWDFHYKBIR-UHFFFAOYSA-N -1 0 316.697 -0.554 20 0 DBADRM CC(C)C[C@@H](NC(=O)Cn1ccnc1S(C)(=O)=O)C(=O)[O-] ZINC000826793599 601347261 /nfs/dbraw/zinc/34/72/61/601347261.db2.gz QAIGIIOALYWVCG-SECBINFHSA-N -1 0 317.367 -0.098 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N2CC[C@H](CO)C2)c1 ZINC000833261271 601352135 /nfs/dbraw/zinc/35/21/35/601352135.db2.gz LOYLEPCGGLXMPC-JTQLQIEISA-N -1 0 322.317 -0.071 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000832913555 601363492 /nfs/dbraw/zinc/36/34/92/601363492.db2.gz HFVBYJGGYOZJEK-UHFFFAOYSA-N -1 0 319.317 -0.068 20 0 DBADRM C[C@@H](CCO)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000827418155 601364634 /nfs/dbraw/zinc/36/46/34/601364634.db2.gz YVWCMZGDRHLBQP-VIFPVBQESA-N -1 0 310.306 -0.024 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000820088849 601365740 /nfs/dbraw/zinc/36/57/40/601365740.db2.gz HTDOIGNYELWNAM-ZCFIWIBFSA-N -1 0 311.269 -0.158 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=S)NCCCC(=O)[O-] ZINC000830781310 601366445 /nfs/dbraw/zinc/36/64/45/601366445.db2.gz WALHKYHBTHBEQZ-UHFFFAOYSA-N -1 0 323.440 -0.307 20 0 DBADRM O=C([O-])C[C@H]1CN(Cn2nnc3ccccc3c2=O)CCO1 ZINC000316657715 601373777 /nfs/dbraw/zinc/37/37/77/601373777.db2.gz BBYQUJYBSWRDHX-JTQLQIEISA-N -1 0 304.306 -0.076 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C1CC1 ZINC000831078011 601389195 /nfs/dbraw/zinc/38/91/95/601389195.db2.gz HIBWRZSACLMJGF-VIFPVBQESA-N -1 0 302.308 -0.057 20 0 DBADRM COC(=O)[C@@]1(F)CCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000831094478 601391442 /nfs/dbraw/zinc/39/14/42/601391442.db2.gz QTOBFSKIGQASNY-SNVBAGLBSA-N -1 0 312.319 -0.775 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000830742544 601392386 /nfs/dbraw/zinc/39/23/86/601392386.db2.gz FIZAJAMRGWJXPK-VIFPVBQESA-N -1 0 321.399 -0.373 20 0 DBADRM CS(=O)(=O)NCCNC(=S)NC1(CC(=O)[O-])CCC1 ZINC000832695117 601394019 /nfs/dbraw/zinc/39/40/19/601394019.db2.gz MIYAHGMWNIPXDZ-UHFFFAOYSA-N -1 0 309.413 -0.603 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000091294194 601396333 /nfs/dbraw/zinc/39/63/33/601396333.db2.gz KVSVORAAHOTEGQ-SECBINFHSA-N -1 0 309.340 -0.555 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000829895907 601396534 /nfs/dbraw/zinc/39/65/34/601396534.db2.gz HTNLCHOYRAIIEE-NSHDSACASA-N -1 0 322.383 -0.483 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)C(=O)[O-] ZINC000827465721 601399141 /nfs/dbraw/zinc/39/91/41/601399141.db2.gz BLVDRWYWMLRJEB-GMSGAONNSA-N -1 0 313.335 -0.447 20 0 DBADRM Cn1cc(N2CCN(Cn3cnc(C(=O)[O-])n3)CC2=O)cn1 ZINC000833047367 601400479 /nfs/dbraw/zinc/40/04/79/601400479.db2.gz QBGJNQZSICSZMV-UHFFFAOYSA-N -1 0 305.298 -0.984 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000049098725 601400527 /nfs/dbraw/zinc/40/05/27/601400527.db2.gz IXFGSSKQJBMOGM-MRVPVSSYSA-N -1 0 300.336 -0.274 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)o1 ZINC000091753444 601401433 /nfs/dbraw/zinc/40/14/33/601401433.db2.gz ASYGPFJEOKVWKT-ZETCQYMHSA-N -1 0 315.307 -0.624 20 0 DBADRM C/C(=C\COC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000825770138 601421231 /nfs/dbraw/zinc/42/12/31/601421231.db2.gz VGARZRHRPFVIBT-FARCUNLSSA-N -1 0 303.296 -0.895 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCO[C@@H](CO)C1 ZINC000825977707 601425963 /nfs/dbraw/zinc/42/59/63/601425963.db2.gz MVPMQQVOSLCVBK-CMPLNLGQSA-N -1 0 300.355 -0.609 20 0 DBADRM O=C([O-])/C=C1/SCC(=O)N1CCCN1CCO[C@H](CO)C1 ZINC000833196451 601426609 /nfs/dbraw/zinc/42/66/09/601426609.db2.gz ULJCUZZTQMEKKI-PQTFEYQYSA-N -1 0 316.379 -0.429 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000829619010 601437166 /nfs/dbraw/zinc/43/71/66/601437166.db2.gz PCCGWXLPMLFYNT-AWEZNQCLSA-N -1 0 317.361 -0.142 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000829697544 601437773 /nfs/dbraw/zinc/43/77/73/601437773.db2.gz QOZSJWKIQOSSKB-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CC[C@](F)(C(=O)[O-])C1 ZINC000831643886 601440298 /nfs/dbraw/zinc/44/02/98/601440298.db2.gz RIKLFKPKYUBQAI-QPUJVOFHSA-N -1 0 305.306 -0.654 20 0 DBADRM O=C([O-])C[C@@H]1CN(C[C@@H](O)COC[C@@H]2CCCO2)CCO1 ZINC000833222608 601454644 /nfs/dbraw/zinc/45/46/44/601454644.db2.gz SBKAEPMTTKTBJU-FRRDWIJNSA-N -1 0 303.355 -0.282 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CCO[C@@H](CC(=O)[O-])C1 ZINC000831643259 601454910 /nfs/dbraw/zinc/45/49/10/601454910.db2.gz DNAWFNXETZSXFF-ZJUUUORDSA-N -1 0 317.342 -0.977 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)N1CCO[C@H](CO)C1 ZINC000833161393 601456373 /nfs/dbraw/zinc/45/63/73/601456373.db2.gz AUOZUVHYDUILFR-ZETCQYMHSA-N -1 0 314.319 -0.396 20 0 DBADRM CCN1CCN(C(=O)[C@@H](C)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000829771058 601458582 /nfs/dbraw/zinc/45/85/82/601458582.db2.gz RHNFLASACWFGQZ-CHWSQXEVSA-N -1 0 313.398 -0.286 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCO[C@H](CC(=O)[O-])C2)C[C@@H](C)O1 ZINC000091296148 601461124 /nfs/dbraw/zinc/46/11/24/601461124.db2.gz DXXLDNFUORHXQF-IJLUTSLNSA-N -1 0 300.355 -0.202 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NCCOCCO ZINC000833268517 601472861 /nfs/dbraw/zinc/47/28/61/601472861.db2.gz LQAKDFWRPDVFLK-UHFFFAOYSA-N -1 0 310.306 -0.623 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000833086277 601481775 /nfs/dbraw/zinc/48/17/75/601481775.db2.gz MDUDYPZWDUWKKY-AWEZNQCLSA-N -1 0 323.280 -0.251 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)cc1C(=O)[O-] ZINC000832937257 601483334 /nfs/dbraw/zinc/48/33/34/601483334.db2.gz IIWYLVPETVLCMZ-PHIMTYICSA-N -1 0 322.317 -0.414 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000831000686 601496504 /nfs/dbraw/zinc/49/65/04/601496504.db2.gz KZLXDHSVFSYZOO-MRVPVSSYSA-N -1 0 322.321 -0.357 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000833201764 601512927 /nfs/dbraw/zinc/51/29/27/601512927.db2.gz JYUUOSGIUHIRNU-UHFFFAOYSA-N -1 0 311.381 -0.699 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000833202712 601516128 /nfs/dbraw/zinc/51/61/28/601516128.db2.gz OHDQBXOQEGBMIV-VIFPVBQESA-N -1 0 314.367 -0.233 20 0 DBADRM CN1C[C@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)CCC1=O ZINC000830917855 601517549 /nfs/dbraw/zinc/51/75/49/601517549.db2.gz IEROVNLWLGVPMF-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CC(C)N1C(=O)C[C@H](NS(=O)(=O)CCCC(=O)[O-])C1=O ZINC000826956032 601519863 /nfs/dbraw/zinc/51/98/63/601519863.db2.gz CUYTTWACZMNZDC-QMMMGPOBSA-N -1 0 306.340 -0.694 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000826718002 601520975 /nfs/dbraw/zinc/52/09/75/601520975.db2.gz XXSSJRFEDZZAAB-KOLCDFICSA-N -1 0 306.384 -0.070 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCCn2ncnc21 ZINC000830742497 601522118 /nfs/dbraw/zinc/52/21/18/601522118.db2.gz DAGQTLCLGZJIJY-MRVPVSSYSA-N -1 0 303.344 -0.646 20 0 DBADRM CCN1CCN(CC(=O)N[C@@H](CC(=O)[O-])C2CC2)C(=O)C1=O ZINC000829775798 601533600 /nfs/dbraw/zinc/53/36/00/601533600.db2.gz CJYNGGFTKMRFEZ-JTQLQIEISA-N -1 0 311.338 -0.953 20 0 DBADRM COc1cc(C(=O)N[C@@H](C)C(=O)[O-])sc1S(N)(=O)=O ZINC000818557982 601546630 /nfs/dbraw/zinc/54/66/30/601546630.db2.gz LIDPMVFLRXQEKE-BYPYZUCNSA-N -1 0 308.337 -0.393 20 0 DBADRM CC[C@](C)(NC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000828686236 601546977 /nfs/dbraw/zinc/54/69/77/601546977.db2.gz XFLDHZODOAFOPB-NSHDSACASA-N -1 0 318.355 -0.932 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000829697207 601547081 /nfs/dbraw/zinc/54/70/81/601547081.db2.gz DBMZUKYABAASGW-UHFFFAOYSA-N -1 0 318.355 -0.978 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828421507 601550939 /nfs/dbraw/zinc/55/09/39/601550939.db2.gz GIOQNBMFNPSBHA-ZNSHCXBVSA-N -1 0 318.395 -0.669 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000818013703 601556893 /nfs/dbraw/zinc/55/68/93/601556893.db2.gz KKNPCGORUWPAGE-MXWKQRLJSA-N -1 0 302.327 -0.325 20 0 DBADRM Cn1ncc2c1nnn(CN1CCC(CC(=O)[O-])CC1)c2=O ZINC000833062802 601559079 /nfs/dbraw/zinc/55/90/79/601559079.db2.gz QYJLNETYEBUQEW-UHFFFAOYSA-N -1 0 306.326 -0.331 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC(=O)NC(C)(C)CC(=O)[O-])c1 ZINC000833058590 601559527 /nfs/dbraw/zinc/55/95/27/601559527.db2.gz YUDVLVPLYRAMLK-UHFFFAOYSA-N -1 0 318.355 -0.932 20 0 DBADRM O=C([O-])c1ncn(CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)n1 ZINC000833344725 601560456 /nfs/dbraw/zinc/56/04/56/601560456.db2.gz HGTXZUMMDDZPTG-UWVGGRQHSA-N -1 0 314.367 -0.025 20 0 DBADRM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC000823659617 601562239 /nfs/dbraw/zinc/56/22/39/601562239.db2.gz JFGCCKLFDHGCKQ-ZYHUDNBSSA-N -1 0 322.365 0.000 20 0 DBADRM CN(CC(=O)N[C@H](CC(=O)[O-])C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000830669891 601563577 /nfs/dbraw/zinc/56/35/77/601563577.db2.gz QXUHYHKFBOBJIM-GHMZBOCLSA-N -1 0 318.395 -0.525 20 0 DBADRM CCNC(=O)CN(CC)S(=O)(=O)c1csnc1C(=O)[O-] ZINC000829790061 601568224 /nfs/dbraw/zinc/56/82/24/601568224.db2.gz DCNKTZRCMRDXRF-UHFFFAOYSA-N -1 0 321.380 -0.012 20 0 DBADRM COCCOC1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000831757722 601579549 /nfs/dbraw/zinc/57/95/49/601579549.db2.gz UTQCUDALRCWIBQ-UHFFFAOYSA-N -1 0 307.368 -0.082 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@H]1C ZINC000251922051 601589668 /nfs/dbraw/zinc/58/96/68/601589668.db2.gz YBOSLBXUQZZKFQ-RKDXNWHRSA-N -1 0 308.356 -0.621 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1cn(Cc2ccccn2)nn1 ZINC000833193031 601606540 /nfs/dbraw/zinc/60/65/40/601606540.db2.gz ZKQGSVQIAQTKHL-LBPRGKRZSA-N -1 0 317.305 -0.353 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000827928504 601607330 /nfs/dbraw/zinc/60/73/30/601607330.db2.gz HTBAUMZIOCNZLI-SFYZADRCSA-N -1 0 300.340 -0.392 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1CC1 ZINC000831135116 601613567 /nfs/dbraw/zinc/61/35/67/601613567.db2.gz WNMMSGXWSSYVCG-VIFPVBQESA-N -1 0 308.356 -0.431 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)N[C@@H](CC(=O)[O-])C2CC2)n1 ZINC000830557303 601627304 /nfs/dbraw/zinc/62/73/04/601627304.db2.gz UDRFNTZWGCLAHY-VIFPVBQESA-N -1 0 324.341 -0.259 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000819473353 601629229 /nfs/dbraw/zinc/62/92/29/601629229.db2.gz OJTXTUZLGYELLR-UHFFFAOYSA-N -1 0 303.278 -0.203 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(F)F)n1)C(=O)[O-] ZINC000827466875 601629798 /nfs/dbraw/zinc/62/97/98/601629798.db2.gz VUQSEAGZAOFFGY-LURJTMIESA-N -1 0 304.253 -0.076 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N[C@@H](C(=O)[O-])C1CC1)n1cccn1 ZINC000825972494 601630397 /nfs/dbraw/zinc/63/03/97/601630397.db2.gz UOSUZVWWLLFJGY-JOYOIKCWSA-N -1 0 308.338 -0.118 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C[C@]2(CCOC2)CC1=O ZINC000831170993 601630680 /nfs/dbraw/zinc/63/06/80/601630680.db2.gz XACFPXBPNHQPMQ-ZDUSSCGKSA-N -1 0 300.311 -0.858 20 0 DBADRM O=C([O-])[C@@H](NC(=O)COCC(=O)NCc1cccnc1)C1CC1 ZINC000833112333 601630838 /nfs/dbraw/zinc/63/08/38/601630838.db2.gz KSAPXIRPOKAUSW-AWEZNQCLSA-N -1 0 321.333 -0.306 20 0 DBADRM CCCCC[C@@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000829332855 601642429 /nfs/dbraw/zinc/64/24/29/601642429.db2.gz CNUZYHYOSQXDBS-SNVBAGLBSA-N -1 0 311.338 -0.153 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC000833098956 601653495 /nfs/dbraw/zinc/65/34/95/601653495.db2.gz URHVHTOIEWAKNY-GFCCVEGCSA-N -1 0 301.274 -0.656 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000390317786 601660038 /nfs/dbraw/zinc/66/00/38/601660038.db2.gz HTMOYKOXHKBQOJ-RKDXNWHRSA-N -1 0 307.372 -0.712 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000826980726 601660041 /nfs/dbraw/zinc/66/00/41/601660041.db2.gz UTNPQATZISSPAN-VHSXEESVSA-N -1 0 321.399 -0.324 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N2CC[C@@](F)(C(=O)[O-])C2)C1=O ZINC000828082345 601660496 /nfs/dbraw/zinc/66/04/96/601660496.db2.gz OFQXWGLGUNUKAK-LBPRGKRZSA-N -1 0 301.274 -0.658 20 0 DBADRM COCCN1C[C@H](C(=O)N2CC[C@](F)(C(=O)[O-])C2)CC1=O ZINC000831742123 601661032 /nfs/dbraw/zinc/66/10/32/601661032.db2.gz YHNIOVOLEVYPSD-NOZJJQNGSA-N -1 0 302.302 -0.494 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CC[C@](F)(C(=O)[O-])C1)c2=O ZINC000833062173 601661037 /nfs/dbraw/zinc/66/10/37/601661037.db2.gz LFFINJWYGVKAGS-CYBMUJFWSA-N -1 0 323.284 -0.845 20 0 DBADRM CC(C)(CNC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000400199539 601665737 /nfs/dbraw/zinc/66/57/37/601665737.db2.gz QNTKCJJAOPUITR-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1 ZINC000830991638 601666761 /nfs/dbraw/zinc/66/67/61/601666761.db2.gz HOUFTGGGYIXYKT-UHFFFAOYSA-N -1 0 314.386 -0.393 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)C(C)C ZINC000831540682 601669923 /nfs/dbraw/zinc/66/99/23/601669923.db2.gz BPDMCEFQRYJGSC-GWCFXTLKSA-N -1 0 316.354 -0.524 20 0 DBADRM CC(C)(CNC(=O)NCC(C)(C)C(=O)[O-])NS(C)(=O)=O ZINC000164938823 601671277 /nfs/dbraw/zinc/67/12/77/601671277.db2.gz MTMGERCXUOBVRE-UHFFFAOYSA-N -1 0 309.388 -0.276 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000829624068 601678432 /nfs/dbraw/zinc/67/84/32/601678432.db2.gz MCYBUQODFGQDLC-QMMMGPOBSA-N -1 0 318.355 -0.980 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCC(C)(C)C(=O)[O-] ZINC000831024967 601684519 /nfs/dbraw/zinc/68/45/19/601684519.db2.gz KECZASBYENZJBV-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000390900976 601687245 /nfs/dbraw/zinc/68/72/45/601687245.db2.gz HMUMOWZXEKHASP-MRVPVSSYSA-N -1 0 322.321 -0.243 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@](C)(COC)C(=O)[O-])o1 ZINC000262038912 601692365 /nfs/dbraw/zinc/69/23/65/601692365.db2.gz CKKZWNMWXVJDHT-LLVKDONJSA-N -1 0 320.323 -0.593 20 0 DBADRM COC[C@](C)(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)[O-] ZINC000393229500 601693549 /nfs/dbraw/zinc/69/35/49/601693549.db2.gz VOBUGFMPBWYXHV-LBPRGKRZSA-N -1 0 313.335 -0.432 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@](C)(COC)C(=O)[O-])CC1=O ZINC000328477540 601693604 /nfs/dbraw/zinc/69/36/04/601693604.db2.gz JDXCWUPHKPRJMF-TVQRCGJNSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@](C)(NC(=O)C1CCN(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000262287579 601696873 /nfs/dbraw/zinc/69/68/73/601696873.db2.gz VOXSOOJIGHAXCL-AWEZNQCLSA-N -1 0 315.370 -0.014 20 0 DBADRM COC[C@@](C)(NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-] ZINC000831597750 601698210 /nfs/dbraw/zinc/69/82/10/601698210.db2.gz ZGMYDUBOVCLEOA-ISVAXAHUSA-N -1 0 310.310 -0.632 20 0 DBADRM CC(C)(CNC(=O)CSCC(=O)N1CCOCC1)C(=O)[O-] ZINC000164838888 601703819 /nfs/dbraw/zinc/70/38/19/601703819.db2.gz FUEOOQQCIMHJPN-UHFFFAOYSA-N -1 0 318.395 -0.195 20 0 DBADRM C[C@H]1CN(C(=O)CCN2CCCS2(=O)=O)C[C@@H]1C(=O)[O-] ZINC000828333284 601704098 /nfs/dbraw/zinc/70/40/98/601704098.db2.gz GJUSIDJGWQAPNB-UWVGGRQHSA-N -1 0 304.368 -0.409 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000833092254 601709432 /nfs/dbraw/zinc/70/94/32/601709432.db2.gz VFTFNVOMDJVJHX-ISVAXAHUSA-N -1 0 310.285 -0.212 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)o1 ZINC000833088087 601713950 /nfs/dbraw/zinc/71/39/50/601713950.db2.gz FUOUBRIZNPVJLQ-JTQLQIEISA-N -1 0 306.271 -0.434 20 0 DBADRM CCO[C@@H]1C[C@@H]1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000829931630 601715582 /nfs/dbraw/zinc/71/55/82/601715582.db2.gz RNTTZORRMSERMV-DTWKUNHWSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@@H]1CN(C(=O)CCCN2C(=O)CN(C)C2=O)C[C@H]1C(=O)[O-] ZINC000315091757 601717833 /nfs/dbraw/zinc/71/78/33/601717833.db2.gz HNLXQPCRLURWJO-NXEZZACHSA-N -1 0 311.338 -0.160 20 0 DBADRM C[C@@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@@H]1C(=O)[O-] ZINC000828326285 601720350 /nfs/dbraw/zinc/72/03/50/601720350.db2.gz PPKOPQFOVVCMCW-SCZZXKLOSA-N -1 0 319.383 -0.919 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CNC(=O)OCC(F)(F)F ZINC000833134633 601721220 /nfs/dbraw/zinc/72/12/20/601721220.db2.gz GEPOWVAUYUPBDW-LURJTMIESA-N -1 0 314.216 -0.413 20 0 DBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000825982418 601721603 /nfs/dbraw/zinc/72/16/03/601721603.db2.gz DXCULRDEMBVJKI-AGIUHOORSA-N -1 0 323.393 -0.138 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CCCCN1CCOCC1 ZINC000833192070 601721748 /nfs/dbraw/zinc/72/17/48/601721748.db2.gz IORAHUMIOJJDTF-LBPRGKRZSA-N -1 0 300.355 -0.199 20 0 DBADRM Cn1nc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c2ccccc2c1=O ZINC000776680588 601723415 /nfs/dbraw/zinc/72/34/15/601723415.db2.gz WSEVXFQGWJJTJM-OAHLLOKOSA-N -1 0 317.301 -0.093 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)o1 ZINC000262191430 601723848 /nfs/dbraw/zinc/72/38/48/601723848.db2.gz YVLQNZLOIUUKPP-LLVKDONJSA-N -1 0 318.307 -0.839 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000262040274 601726587 /nfs/dbraw/zinc/72/65/87/601726587.db2.gz BUPSPSAAOBGWSI-AWEZNQCLSA-N -1 0 307.306 -0.172 20 0 DBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@]1(C(=O)[O-])CCOC1)CS2 ZINC000085847823 601735513 /nfs/dbraw/zinc/73/55/13/601735513.db2.gz JJGCMTNLEKHCHO-OXHMUOHRSA-N -1 0 314.363 -0.200 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC000262436973 601736157 /nfs/dbraw/zinc/73/61/57/601736157.db2.gz TWBAIRBHTVHSJV-UHFFFAOYSA-N -1 0 307.306 -0.291 20 0 DBADRM NC(=O)COc1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000261851177 601739213 /nfs/dbraw/zinc/73/92/13/601739213.db2.gz ZZNGHZQRHNIQOZ-LBPRGKRZSA-N -1 0 322.317 -0.134 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@@H]1C(=O)[O-] ZINC000828400800 601758785 /nfs/dbraw/zinc/75/87/85/601758785.db2.gz CJBVMLJDLGLCNQ-RQJHMYQMSA-N -1 0 302.308 -0.280 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1C(=O)[O-] ZINC000422567876 601761051 /nfs/dbraw/zinc/76/10/51/601761051.db2.gz ANIROYLBOHVINF-WCABBAIRSA-N -1 0 306.322 -0.058 20 0 DBADRM CCc1nc2n(n1)CCC[C@H]2NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000830322578 601762660 /nfs/dbraw/zinc/76/26/60/601762660.db2.gz HAGIWSNRRFJOKS-MRVPVSSYSA-N -1 0 319.325 -0.219 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000316735673 601765754 /nfs/dbraw/zinc/76/57/54/601765754.db2.gz OCUZKGQTUNHLDT-VXGBXAGGSA-N -1 0 315.370 -0.408 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCc2nnc3n2CCCC3)CCO1 ZINC000833219136 601768396 /nfs/dbraw/zinc/76/83/96/601768396.db2.gz WKFKTUQLWJNMTM-SNVBAGLBSA-N -1 0 323.353 -0.001 20 0 DBADRM C[C@H](CN1CCCC1=O)NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000827455996 601768591 /nfs/dbraw/zinc/76/85/91/601768591.db2.gz QKTZQLCZTHCGEW-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM CC(C)C(=O)N1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000020397698 601771338 /nfs/dbraw/zinc/77/13/38/601771338.db2.gz OBUGYRLDGZRJNN-JTQLQIEISA-N -1 0 306.384 -0.163 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC000827548203 601774264 /nfs/dbraw/zinc/77/42/64/601774264.db2.gz ZCUSNLSLYXERJM-SNVBAGLBSA-N -1 0 314.367 -0.351 20 0 DBADRM C[C@@H](CS(=O)(=O)NCc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000827563580 601774652 /nfs/dbraw/zinc/77/46/52/601774652.db2.gz OVHKGFLBYAJOFH-QMMMGPOBSA-N -1 0 300.336 -0.074 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000091298406 601775016 /nfs/dbraw/zinc/77/50/16/601775016.db2.gz FZBXFUOLMWXXOM-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1=O ZINC000826966527 601775395 /nfs/dbraw/zinc/77/53/95/601775395.db2.gz RKSJTFYJPWYWRQ-GHMZBOCLSA-N -1 0 313.354 -0.119 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)o1 ZINC000833084960 601779971 /nfs/dbraw/zinc/77/99/71/601779971.db2.gz CHEKSXUWZONBJL-SECBINFHSA-N -1 0 311.294 -0.236 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC000825870838 601782345 /nfs/dbraw/zinc/78/23/45/601782345.db2.gz GJDREGCWBDVMGE-KOLCDFICSA-N -1 0 306.384 -0.115 20 0 DBADRM CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000829608971 601786079 /nfs/dbraw/zinc/78/60/79/601786079.db2.gz SNTNZNKRHKEDFG-DTWKUNHWSA-N -1 0 324.424 -0.110 20 0 DBADRM CC(=O)N1CCC(CNS(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000825828385 601787652 /nfs/dbraw/zinc/78/76/52/601787652.db2.gz FJDPBQBLYNFXMJ-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM CNc1cc2c(nn1)CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C2 ZINC000831041533 601792484 /nfs/dbraw/zinc/79/24/84/601792484.db2.gz BDLLSQFYPYRZDW-MRVPVSSYSA-N -1 0 314.367 -0.073 20 0 DBADRM C[C@@H](CS(=O)(=O)Oc1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000827569922 601793861 /nfs/dbraw/zinc/79/38/61/601793861.db2.gz BNSGSEUVDUMKTJ-QMMMGPOBSA-N -1 0 317.319 -0.020 20 0 DBADRM CCOC(=O)[C@@H]1CN(S(=O)(=O)C[C@H](C)C(=O)[O-])CCO1 ZINC000829838488 601794434 /nfs/dbraw/zinc/79/44/34/601794434.db2.gz XUNWEQUBAGHWOP-IUCAKERBSA-N -1 0 309.340 -0.699 20 0 DBADRM C[C@H](CS(=O)(=O)NC(C)(C)CCS(C)(=O)=O)C(=O)[O-] ZINC000827546202 601796222 /nfs/dbraw/zinc/79/62/22/601796222.db2.gz ITOSJNKBGRMDSO-MRVPVSSYSA-N -1 0 315.413 -0.160 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)C(=O)[O-] ZINC000827551116 601796296 /nfs/dbraw/zinc/79/62/96/601796296.db2.gz FAHGNKYUSIJBQP-KYXWUPHJSA-N -1 0 304.368 -0.364 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000831060653 601797275 /nfs/dbraw/zinc/79/72/75/601797275.db2.gz XGKMWWDIWQFNLJ-VIFPVBQESA-N -1 0 323.367 -0.309 20 0 DBADRM COC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NCC(=O)[O-] ZINC000820660865 601799225 /nfs/dbraw/zinc/79/92/25/601799225.db2.gz MOOQMZGIOLVNBH-LBPRGKRZSA-N -1 0 306.318 -0.213 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCCC[C@@H]1C(N)=O ZINC000830742676 601799255 /nfs/dbraw/zinc/79/92/55/601799255.db2.gz MZYYJNQQRFNEKR-IUCAKERBSA-N -1 0 307.372 -0.729 20 0 DBADRM COC[C@](C)(CC(=O)OC)NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000831591658 601799276 /nfs/dbraw/zinc/79/92/76/601799276.db2.gz XIIQABSSSMKBKD-KCJUWKMLSA-N -1 0 311.356 -0.405 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN(C[C@@H]2CCOC2)CC1)C(=O)[O-] ZINC000827545483 601799700 /nfs/dbraw/zinc/79/97/00/601799700.db2.gz BEKBSBUZDBGKKX-NEPJUHHUSA-N -1 0 320.411 -0.309 20 0 DBADRM C[C@@H](CS(=O)(=O)NCc1ccc(C(N)=O)nc1)C(=O)[O-] ZINC000827563437 601800661 /nfs/dbraw/zinc/80/06/61/601800661.db2.gz MWVYTJYMYWZWER-ZETCQYMHSA-N -1 0 301.324 -0.679 20 0 DBADRM CC[C@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000828989017 601801117 /nfs/dbraw/zinc/80/11/17/601801117.db2.gz MYMHELCGIZKFQK-ZJUUUORDSA-N -1 0 322.383 -0.736 20 0 DBADRM CCOC(=O)COCCn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000829852787 601810803 /nfs/dbraw/zinc/81/08/03/601810803.db2.gz NSOQTYGTHQMMPY-UHFFFAOYSA-N -1 0 324.293 -0.743 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)[O-] ZINC000827466183 601859304 /nfs/dbraw/zinc/85/93/04/601859304.db2.gz IJHMCVVYPDSFDY-KOLCDFICSA-N -1 0 324.337 -0.163 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)NCCN2C(=O)CNC2=O)c1 ZINC000821426064 601870100 /nfs/dbraw/zinc/87/01/00/601870100.db2.gz IWHJHJASFPEZLQ-UHFFFAOYSA-N -1 0 320.305 -0.264 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)NCCSCC(=O)[O-])O1 ZINC000833082928 601885468 /nfs/dbraw/zinc/88/54/68/601885468.db2.gz TUXBFOYBUQNTPB-JGVFFNPUSA-N -1 0 305.356 -0.864 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)NCCSCC(=O)[O-])O1 ZINC000833082931 601885495 /nfs/dbraw/zinc/88/54/95/601885495.db2.gz TUXBFOYBUQNTPB-YUMQZZPRSA-N -1 0 305.356 -0.864 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000739723368 601904634 /nfs/dbraw/zinc/90/46/34/601904634.db2.gz LPXCLZSGQYDVEY-SECBINFHSA-N -1 0 312.326 -0.519 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000739529795 601907492 /nfs/dbraw/zinc/90/74/92/601907492.db2.gz KMMSIXSFEYTTKS-BDAKNGLRSA-N -1 0 307.372 -0.427 20 0 DBADRM O=C([O-])N1CCC[C@@H]1C(=O)NCCCN1CCCS1(=O)=O ZINC000740433744 601911028 /nfs/dbraw/zinc/91/10/28/601911028.db2.gz SIVSCFYZORLMDM-SNVBAGLBSA-N -1 0 319.383 -0.329 20 0 DBADRM CC(C)NC(=O)CN1CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC000826972181 601929029 /nfs/dbraw/zinc/92/90/29/601929029.db2.gz ZKZOKPURSKIRDP-UHFFFAOYSA-N -1 0 307.354 -0.179 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000739315526 601933784 /nfs/dbraw/zinc/93/37/84/601933784.db2.gz PKTBRRQPLIBNDA-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000736363897 601951277 /nfs/dbraw/zinc/95/12/77/601951277.db2.gz QNTSTLCLCLAVEI-ISVAXAHUSA-N -1 0 312.326 -0.569 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CC[C@@H](CNC(=O)[O-])C1 ZINC000739368049 601952865 /nfs/dbraw/zinc/95/28/65/601952865.db2.gz SBQWTUXVUUVRBS-NSHDSACASA-N -1 0 314.386 -0.440 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)N1CCN(C(=O)[O-])CC1)CC2 ZINC000738367694 601972791 /nfs/dbraw/zinc/97/27/91/601972791.db2.gz NILJSWWLKRAFEE-SNVBAGLBSA-N -1 0 308.342 -0.093 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000739587287 601973474 /nfs/dbraw/zinc/97/34/74/601973474.db2.gz VITFPOHLPRIAIQ-SNVBAGLBSA-N -1 0 310.354 -0.342 20 0 DBADRM COCCN1C[C@H](C(=O)NCCN(C(=O)[O-])C2CC2)CC1=O ZINC000739827991 601984940 /nfs/dbraw/zinc/98/49/40/601984940.db2.gz DCMFGQLYFRNNIR-SNVBAGLBSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN3C(=O)OC[C@@H]3C2)o1 ZINC000833324845 602010199 /nfs/dbraw/zinc/01/01/99/602010199.db2.gz MXTGTWVSMONFHM-ZETCQYMHSA-N -1 0 316.291 -0.197 20 0 DBADRM CS(=O)(=O)NCCNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739998694 602011521 /nfs/dbraw/zinc/01/15/21/602011521.db2.gz ZZJINXJOCWMOPM-SECBINFHSA-N -1 0 322.387 -0.775 20 0 DBADRM CCN1CCN(CC(=O)N2CC[C@@](C)(C(=O)[O-])C2)C(=O)C1=O ZINC000263218642 602012579 /nfs/dbraw/zinc/01/25/79/602012579.db2.gz YGSJTRJTAXDOIK-CQSZACIVSA-N -1 0 311.338 -1.000 20 0 DBADRM O=C([O-])N1CCN(C(=O)NCCN2C(=O)CSC2=O)CC1 ZINC000740525684 602018975 /nfs/dbraw/zinc/01/89/75/602018975.db2.gz VUNRKYDJKGWFBE-UHFFFAOYSA-N -1 0 316.339 -0.313 20 0 DBADRM O=C([O-])CNC(=O)CN1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000821530833 602025391 /nfs/dbraw/zinc/02/53/91/602025391.db2.gz MUCGOIPBUPOFPY-MNOVXSKESA-N -1 0 312.322 -0.395 20 0 DBADRM CCc1n[nH]c(=O)c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1CC ZINC000262731898 602026364 /nfs/dbraw/zinc/02/63/64/602026364.db2.gz CCIDGTQXWDCCAR-SNVBAGLBSA-N -1 0 309.322 -0.180 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739039246 602031350 /nfs/dbraw/zinc/03/13/50/602031350.db2.gz ZHTNZZYNRZSVLX-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)Cn2cnc3c2ncnc3N)C1 ZINC000827996892 602038603 /nfs/dbraw/zinc/03/86/03/602038603.db2.gz WQKYNRYYZPWETC-ZDUSSCGKSA-N -1 0 304.310 -0.268 20 0 DBADRM NC(=O)CN1CCN(C(=O)Cc2ccc(NC(=O)[O-])cc2)CC1 ZINC000740333823 602042310 /nfs/dbraw/zinc/04/23/10/602042310.db2.gz HLTQSAZVCBPWOS-UHFFFAOYSA-N -1 0 320.349 -0.052 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000262659670 602047207 /nfs/dbraw/zinc/04/72/07/602047207.db2.gz LKFGIUZXSZLDMF-SNVBAGLBSA-N -1 0 322.383 -0.592 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000831807210 602047626 /nfs/dbraw/zinc/04/76/26/602047626.db2.gz FCQNNIOXJCQLDN-CQSZACIVSA-N -1 0 324.337 -0.209 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N(CC(=O)[O-])C1CC1 ZINC000830017807 602047872 /nfs/dbraw/zinc/04/78/72/602047872.db2.gz WOFDEEOHAWDUCG-UHFFFAOYSA-N -1 0 308.356 -0.982 20 0 DBADRM CN(C)CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000830604891 602048511 /nfs/dbraw/zinc/04/85/11/602048511.db2.gz WMAXEJBTIUTASP-HBNTYKKESA-N -1 0 318.395 -0.716 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCN(C(=O)NCCNC(=O)[O-])C1 ZINC000739982281 602062088 /nfs/dbraw/zinc/06/20/88/602062088.db2.gz GSLKDYPUEXQJTQ-VIFPVBQESA-N -1 0 307.372 -0.280 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000737514933 602066366 /nfs/dbraw/zinc/06/63/66/602066366.db2.gz FCISWLIJFOAAHN-UHFFFAOYSA-N -1 0 300.359 -0.687 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)O1 ZINC000821345232 602068439 /nfs/dbraw/zinc/06/84/39/602068439.db2.gz PVLJRKFKEUCXOF-TVUZUIDESA-N -1 0 313.354 -0.038 20 0 DBADRM NC(=O)NC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000740332169 602068853 /nfs/dbraw/zinc/06/88/53/602068853.db2.gz LSWYPWBMBYAKSR-VIFPVBQESA-N -1 0 309.278 -0.397 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CCC(=O)N1CCOCC1 ZINC000829949235 602071461 /nfs/dbraw/zinc/07/14/61/602071461.db2.gz ZBKGRIUKGNRPLK-LLVKDONJSA-N -1 0 316.354 -0.427 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000827262063 602076074 /nfs/dbraw/zinc/07/60/74/602076074.db2.gz DZDSSJORFXOQKS-MNOVXSKESA-N -1 0 318.395 -0.572 20 0 DBADRM CC(=O)N[C@@H](CC(=O)Nc1cccc(CC(=O)[O-])c1)C(N)=O ZINC000817706472 602078033 /nfs/dbraw/zinc/07/80/33/602078033.db2.gz RDWBDUIBIHYJBV-NSHDSACASA-N -1 0 307.306 -0.368 20 0 DBADRM CN(C(=O)NCCN(C(=O)[O-])C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000739575274 602079180 /nfs/dbraw/zinc/07/91/80/602079180.db2.gz JTTQXOMBLLEXRZ-JTQLQIEISA-N -1 0 319.383 -0.043 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)NCCN(C(=O)[O-])C2CC2)CCO1 ZINC000740329248 602082066 /nfs/dbraw/zinc/08/20/66/602082066.db2.gz UNJSBGDQOHRVAP-SECBINFHSA-N -1 0 300.315 -0.976 20 0 DBADRM Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)OCC(=O)NCC(=O)[O-] ZINC000821045931 602090187 /nfs/dbraw/zinc/09/01/87/602090187.db2.gz LBLCVRRVVUQTOC-QMMMGPOBSA-N -1 0 312.278 -0.833 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000827264269 602090770 /nfs/dbraw/zinc/09/07/70/602090770.db2.gz YUDXTJJDVYTBOI-SECBINFHSA-N -1 0 307.372 -0.952 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)N2CCC(CC(=O)[O-])CC2)O1 ZINC000833081485 602093819 /nfs/dbraw/zinc/09/38/19/602093819.db2.gz HDNFLONIZKFAOJ-WDEREUQCSA-N -1 0 313.354 -0.084 20 0 DBADRM Cn1cc(C(=O)NCC2CCN(C(=O)CNC(=O)[O-])CC2)cn1 ZINC000738404151 602097745 /nfs/dbraw/zinc/09/77/45/602097745.db2.gz VGWFNJRWNCHAFP-UHFFFAOYSA-N -1 0 323.353 -0.344 20 0 DBADRM C[C@@H](NC(=O)NCCS(N)(=O)=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738973777 602098485 /nfs/dbraw/zinc/09/84/85/602098485.db2.gz BFZWGHDZVBUAJR-BDAKNGLRSA-N -1 0 322.387 -0.647 20 0 DBADRM NS(=O)(=O)CCNC(=O)NCC1(NC(=O)[O-])CCCCC1 ZINC000740338304 602098924 /nfs/dbraw/zinc/09/89/24/602098924.db2.gz ONJCGRXWCOVYPZ-UHFFFAOYSA-N -1 0 322.387 -0.455 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000827256881 602099619 /nfs/dbraw/zinc/09/96/19/602099619.db2.gz KLYWQTNMPVFBJP-VIFPVBQESA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000827289891 602104060 /nfs/dbraw/zinc/10/40/60/602104060.db2.gz CCKNFNYMOQAXBM-LBPRGKRZSA-N -1 0 321.381 -0.174 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCN3C(=O)OC[C@@H]3C2)n1 ZINC000833275468 602105196 /nfs/dbraw/zinc/10/51/96/602105196.db2.gz IVBTVNPJJDTUGU-QMMMGPOBSA-N -1 0 309.282 -0.364 20 0 DBADRM Cc1c(C(=O)N[C@@H](C)C(N)=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740039612 602110682 /nfs/dbraw/zinc/11/06/82/602110682.db2.gz GGVHRCOKDQTMMI-ZETCQYMHSA-N -1 0 324.341 -0.495 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737943770 602116845 /nfs/dbraw/zinc/11/68/45/602116845.db2.gz BHMJSRZPJIVAIP-UHFFFAOYSA-N -1 0 307.306 -0.543 20 0 DBADRM CC(C)(CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)C(N)=O ZINC000737588944 602119993 /nfs/dbraw/zinc/11/99/93/602119993.db2.gz ISQMAUFJHGUZBR-UHFFFAOYSA-N -1 0 321.333 -0.120 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)NCCNS(=O)(=O)CC ZINC000739232952 602122485 /nfs/dbraw/zinc/12/24/85/602122485.db2.gz GCQYVWXCEHAAEU-BDAKNGLRSA-N -1 0 309.388 -0.276 20 0 DBADRM Cn1cc([C@]2(C)CN(Cn3cnc(C(=O)[O-])n3)CCO2)cn1 ZINC000833042914 602124851 /nfs/dbraw/zinc/12/48/51/602124851.db2.gz DURSZTAGOGVYSO-ZDUSSCGKSA-N -1 0 306.326 -0.085 20 0 DBADRM CN(CCn1ccccc1=O)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739705606 602124935 /nfs/dbraw/zinc/12/49/35/602124935.db2.gz WHRMUOGMJAROEG-UHFFFAOYSA-N -1 0 322.365 -0.398 20 0 DBADRM CN1CC[C@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1=O ZINC000738016578 602129482 /nfs/dbraw/zinc/12/94/82/602129482.db2.gz KRQDDYWOKDFTMN-NSHDSACASA-N -1 0 319.317 -0.401 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000827264056 602132307 /nfs/dbraw/zinc/13/23/07/602132307.db2.gz VVOBEYZQBFIGLV-SNVBAGLBSA-N -1 0 320.349 -0.060 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000833228489 602134186 /nfs/dbraw/zinc/13/41/86/602134186.db2.gz PUARNWOSYHWYBZ-UWVGGRQHSA-N -1 0 304.368 -0.076 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)C(=O)[O-] ZINC000831133062 602143251 /nfs/dbraw/zinc/14/32/51/602143251.db2.gz ATWABRAHPLYUBZ-RKDXNWHRSA-N -1 0 309.340 -0.509 20 0 DBADRM Cc1n[nH]c(C)c1NC(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000315418648 602144757 /nfs/dbraw/zinc/14/47/57/602144757.db2.gz NWDUGKLBPKPXJR-SECBINFHSA-N -1 0 309.326 -0.760 20 0 DBADRM COCCN(C(=O)[C@H](C)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000831710498 602149166 /nfs/dbraw/zinc/14/91/66/602149166.db2.gz YQCGBRVQCVGEAC-NXEZZACHSA-N -1 0 307.368 -0.241 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)NCC2CCN(C(=O)[O-])CC2)CCO1 ZINC000740328109 602160517 /nfs/dbraw/zinc/16/05/17/602160517.db2.gz PGDPIYHXIVDWDG-SNVBAGLBSA-N -1 0 314.342 -0.728 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)N2CCOCC2)CC1)C(=O)[O-] ZINC000739616541 602160808 /nfs/dbraw/zinc/16/08/08/602160808.db2.gz GRKOXVUEQKPNNA-UHFFFAOYSA-N -1 0 313.354 -0.306 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000827264127 602178737 /nfs/dbraw/zinc/17/87/37/602178737.db2.gz WOKPTAHCKZGAQS-JTQLQIEISA-N -1 0 308.338 -0.460 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000827257137 602184567 /nfs/dbraw/zinc/18/45/67/602184567.db2.gz LLCBNRJEFZHDNA-NUPCCRGMSA-N -1 0 311.338 -0.066 20 0 DBADRM O=C([O-])N[C@@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000738655097 602187670 /nfs/dbraw/zinc/18/76/70/602187670.db2.gz UYWIXSDMQDEYAI-SECBINFHSA-N -1 0 310.310 -0.815 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(CC(N)=O)CC1 ZINC000739238487 602190054 /nfs/dbraw/zinc/19/00/54/602190054.db2.gz UOOHXIAIHZUCRE-MWLCHTKSSA-N -1 0 300.359 -0.702 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(CC(N)=O)CC1 ZINC000739238483 602190076 /nfs/dbraw/zinc/19/00/76/602190076.db2.gz UOOHXIAIHZUCRE-GXSJLCMTSA-N -1 0 300.359 -0.702 20 0 DBADRM CN1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)C[C@@H]21 ZINC000830966074 602196111 /nfs/dbraw/zinc/19/61/11/602196111.db2.gz XIYVDLRQZGLIFE-GRYCIOLGSA-N -1 0 312.370 -0.147 20 0 DBADRM CN1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)C[C@H]21 ZINC000830966075 602196140 /nfs/dbraw/zinc/19/61/40/602196140.db2.gz XIYVDLRQZGLIFE-IJLUTSLNSA-N -1 0 312.370 -0.147 20 0 DBADRM O=C([O-])c1cccc(CS(=O)(=O)NCCn2ncnn2)c1 ZINC000380071756 602203231 /nfs/dbraw/zinc/20/32/31/602203231.db2.gz QJSUCCFACXZZRY-UHFFFAOYSA-N -1 0 311.323 -0.509 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000827292097 602205112 /nfs/dbraw/zinc/20/51/12/602205112.db2.gz OXLCDQSJHHDDGF-UTLUCORTSA-N -1 0 306.384 -0.069 20 0 DBADRM CC(=O)N1CCC(NC(=O)COC(=O)CN(C)C(=O)[O-])CC1 ZINC000738519445 602206587 /nfs/dbraw/zinc/20/65/87/602206587.db2.gz BCZHVOPLIKZQIV-UHFFFAOYSA-N -1 0 315.326 -0.734 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@H](O)c1ccccc1 ZINC000088768053 602207350 /nfs/dbraw/zinc/20/73/50/602207350.db2.gz JHWZVPCSPQEIFY-NSHDSACASA-N -1 0 302.352 -0.039 20 0 DBADRM CN(CC(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O)C(=O)[O-] ZINC000739631201 602208147 /nfs/dbraw/zinc/20/81/47/602208147.db2.gz PFAGBVXQSYXOSP-MRVPVSSYSA-N -1 0 301.299 -0.994 20 0 DBADRM Cc1oc(S(=O)(=O)NCCn2ncnn2)cc1C(=O)[O-] ZINC000833027573 602212277 /nfs/dbraw/zinc/21/22/77/602212277.db2.gz WLMCPNZGGSKHOA-UHFFFAOYSA-N -1 0 301.284 -0.749 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000739226684 602213525 /nfs/dbraw/zinc/21/35/25/602213525.db2.gz ARELZPVPKQXJOQ-KWQFWETISA-N -1 0 315.326 -0.830 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)OCCNC(=O)[O-])nc2n(C)c1=O ZINC000739003648 602219519 /nfs/dbraw/zinc/21/95/19/602219519.db2.gz LOBLFXQEXVBBQF-UHFFFAOYSA-N -1 0 322.277 -0.943 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000739299679 602219593 /nfs/dbraw/zinc/21/95/93/602219593.db2.gz WYQBLKXQNFZHJH-CYBMUJFWSA-N -1 0 315.326 -0.686 20 0 DBADRM CCS(=O)(=O)CCNC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000737219796 602223455 /nfs/dbraw/zinc/22/34/55/602223455.db2.gz DIKWIESQDMIGDW-UHFFFAOYSA-N -1 0 307.372 -0.137 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)OCCCNC(=O)[O-])CC1 ZINC000740338913 602226431 /nfs/dbraw/zinc/22/64/31/602226431.db2.gz SRHRLVCRNBBMMA-UHFFFAOYSA-N -1 0 309.344 -0.897 20 0 DBADRM C[C@H](CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1)[S@](C)=O ZINC000229786174 602227069 /nfs/dbraw/zinc/22/70/69/602227069.db2.gz UOTFYXBJUSCKIE-YLVJLNSGSA-N -1 0 323.396 -0.597 20 0 DBADRM C[C@H](CCNS(=O)(=O)N(C)CCC(=O)[O-])[S@](C)=O ZINC000253038281 602227458 /nfs/dbraw/zinc/22/74/58/602227458.db2.gz YYKBSCZNQTZRPR-RBHXEPJQSA-N -1 0 300.402 -0.616 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000826000164 602235229 /nfs/dbraw/zinc/23/52/29/602235229.db2.gz NPVJQTSLXRYTQB-QMTHXVAHSA-N -1 0 310.354 -0.443 20 0 DBADRM Cn1c(=O)ccn(CC(=O)O[C@@H]2CCCN(C(=O)[O-])C2)c1=O ZINC000740276055 602236038 /nfs/dbraw/zinc/23/60/38/602236038.db2.gz ZEOVZFPDALAOKO-SECBINFHSA-N -1 0 311.294 -0.767 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000262243431 602246813 /nfs/dbraw/zinc/24/68/13/602246813.db2.gz YIWFWSIDAWNDLH-SECBINFHSA-N -1 0 307.368 -0.098 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N(C)CCS(C)(=O)=O ZINC000739997438 602249488 /nfs/dbraw/zinc/24/94/88/602249488.db2.gz MABNFVJBDIFRCT-MRVPVSSYSA-N -1 0 312.413 -0.121 20 0 DBADRM CN1CCc2ccc(NC(=O)C(=O)NCCC(=O)[O-])cc2C1=O ZINC000818482339 602254224 /nfs/dbraw/zinc/25/42/24/602254224.db2.gz OCCWGKDLSMICPP-UHFFFAOYSA-N -1 0 319.317 -0.156 20 0 DBADRM CN1CCO[C@@H]2CN(CC(=O)N3CCC(C(=O)[O-])CC3)C[C@H]21 ZINC000830966091 602261054 /nfs/dbraw/zinc/26/10/54/602261054.db2.gz XOYMEKUXVJCVTM-CHWSQXEVSA-N -1 0 311.382 -0.676 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)[C@H]1CCNC(=O)C1)C(=O)[O-] ZINC000826792602 602261084 /nfs/dbraw/zinc/26/10/84/602261084.db2.gz CHAYQXSIJMHDRF-VHSXEESVSA-N -1 0 314.338 -0.329 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)[C@@H]1CCNC(=O)C1)C(=O)[O-] ZINC000826792604 602261233 /nfs/dbraw/zinc/26/12/33/602261233.db2.gz CHAYQXSIJMHDRF-ZJUUUORDSA-N -1 0 314.338 -0.329 20 0 DBADRM COC(=O)CNC(=O)CN1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000739759743 602274561 /nfs/dbraw/zinc/27/45/61/602274561.db2.gz CZMICCSDORURIF-UWVGGRQHSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC000827333991 602276888 /nfs/dbraw/zinc/27/68/88/602276888.db2.gz QZDOJJGEQNXKIQ-SECBINFHSA-N -1 0 300.311 -0.621 20 0 DBADRM C[C@@H](OC(=O)c1cnccc1C(=O)[O-])C(=O)N1CCNC1=O ZINC000827866256 602287011 /nfs/dbraw/zinc/28/70/11/602287011.db2.gz AETZDQTVEGULFB-SSDOTTSWSA-N -1 0 307.262 -0.123 20 0 DBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)CCNC(=O)[O-])c1 ZINC000738443653 602295675 /nfs/dbraw/zinc/29/56/75/602295675.db2.gz LXEASIFMPQAXPU-UHFFFAOYSA-N -1 0 322.321 -0.112 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000833178187 602297890 /nfs/dbraw/zinc/29/78/90/602297890.db2.gz CLRALZGYELAORT-YNEHKIRRSA-N -1 0 312.366 -0.343 20 0 DBADRM CN(CCNC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC000739688165 602299626 /nfs/dbraw/zinc/29/96/26/602299626.db2.gz JDLQFAHHYNMFGX-UHFFFAOYSA-N -1 0 314.342 -0.177 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000738752373 602307129 /nfs/dbraw/zinc/30/71/29/602307129.db2.gz XLPAVSHDTOLHNK-UHFFFAOYSA-N -1 0 322.387 -0.936 20 0 DBADRM COCCN1C[C@@H](C(=O)NC(C)(C)CNC(=O)[O-])CC1=O ZINC000739828159 602307144 /nfs/dbraw/zinc/30/71/44/602307144.db2.gz FZQCOIIWDZGTFV-VIFPVBQESA-N -1 0 301.343 -0.356 20 0 DBADRM Cn1[nH]cnc1=NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833062351 602308506 /nfs/dbraw/zinc/30/85/06/602308506.db2.gz QKEGFOASGDAZKJ-UHFFFAOYSA-N -1 0 300.271 -0.125 20 0 DBADRM COCCn1nc(C(=O)NC(C)(C)CNC(=O)[O-])ccc1=O ZINC000739841621 602309300 /nfs/dbraw/zinc/30/93/00/602309300.db2.gz CLWMYTYVLFFBSH-UHFFFAOYSA-N -1 0 312.326 -0.334 20 0 DBADRM COC(=O)CN(C)C(=O)C1(C(=O)N(C)CC(=O)[O-])CCC1 ZINC000831164523 602312099 /nfs/dbraw/zinc/31/20/99/602312099.db2.gz NNMAKVJYVPOGIQ-UHFFFAOYSA-N -1 0 300.311 -0.669 20 0 DBADRM CCN(CCNC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC000739421879 602316845 /nfs/dbraw/zinc/31/68/45/602316845.db2.gz VFUGJQRMOCUONS-UHFFFAOYSA-N -1 0 300.315 -0.567 20 0 DBADRM O=C([O-])NCCNC(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC000740663007 602320549 /nfs/dbraw/zinc/32/05/49/602320549.db2.gz LRYKRZVWMUHWQC-UHFFFAOYSA-N -1 0 313.358 -0.203 20 0 DBADRM NS(=O)(=O)c1cccc(CNC(=O)NCCNC(=O)[O-])c1 ZINC000740341530 602321240 /nfs/dbraw/zinc/32/12/40/602321240.db2.gz DBWBXKRRAUSAQW-UHFFFAOYSA-N -1 0 316.339 -0.599 20 0 DBADRM CN(CC(=O)Nc1cccc(NS(N)(=O)=O)c1)C(=O)[O-] ZINC000739627277 602324824 /nfs/dbraw/zinc/32/48/24/602324824.db2.gz NSOAUXDHERXUKQ-UHFFFAOYSA-N -1 0 302.312 -0.150 20 0 DBADRM CCN(CCCNC(=O)N1CCO[C@H](C(=O)OC)C1)C(=O)[O-] ZINC000739418043 602331706 /nfs/dbraw/zinc/33/17/06/602331706.db2.gz WHAKMSMCGZXELN-JTQLQIEISA-N -1 0 317.342 -0.040 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N[C@@H]2CCCC[C@@H]2O)CC1 ZINC000740440612 602333052 /nfs/dbraw/zinc/33/30/52/602333052.db2.gz SONPNHSSMHEPFB-NEPJUHHUSA-N -1 0 314.386 -0.115 20 0 DBADRM CN(C(=O)Cn1ccc(=O)n(C)c1=O)c1ncc(C(=O)[O-])s1 ZINC000830500085 602334975 /nfs/dbraw/zinc/33/49/75/602334975.db2.gz IVLJJWMQNFNFBI-UHFFFAOYSA-N -1 0 324.318 -0.635 20 0 DBADRM COC[C@H](C)C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739801493 602338605 /nfs/dbraw/zinc/33/86/05/602338605.db2.gz JMQVCUWMHFFSCH-JTQLQIEISA-N -1 0 301.343 -0.451 20 0 DBADRM CN(CCNC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C(=O)[O-] ZINC000739699244 602341282 /nfs/dbraw/zinc/34/12/82/602341282.db2.gz WZGJRAAUBIBVFU-UHFFFAOYSA-N -1 0 319.314 -0.187 20 0 DBADRM NC(=O)CN1CCCN(C(=O)C2(NC(=O)[O-])CCCC2)CC1 ZINC000740335021 602343226 /nfs/dbraw/zinc/34/32/26/602343226.db2.gz WWRYZSGITSPHPT-UHFFFAOYSA-N -1 0 312.370 -0.414 20 0 DBADRM NS(=O)(=O)Cc1cccc(C(=O)NCCCNC(=O)[O-])c1 ZINC000740338643 602344877 /nfs/dbraw/zinc/34/48/77/602344877.db2.gz QZKYWFQKOVJAAB-UHFFFAOYSA-N -1 0 315.351 -0.137 20 0 DBADRM O=C([O-])NCCCNC(=O)CSc1nnnn1C1CC1 ZINC000740652076 602347868 /nfs/dbraw/zinc/34/78/68/602347868.db2.gz FRSOSZXSLJRXEY-UHFFFAOYSA-N -1 0 300.344 -0.126 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)NCCCNC(=O)[O-])CC1 ZINC000739519787 602349327 /nfs/dbraw/zinc/34/93/27/602349327.db2.gz VASRDIREJUPXAE-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000739304306 602359297 /nfs/dbraw/zinc/35/92/97/602359297.db2.gz FTIRQDZNDUWEGB-SNVBAGLBSA-N -1 0 321.399 -0.037 20 0 DBADRM CN(CC1CCN(C(=O)CN(C)S(C)(=O)=O)CC1)C(=O)[O-] ZINC000739643743 602367766 /nfs/dbraw/zinc/36/77/66/602367766.db2.gz JEVTTXMCGGGYJN-UHFFFAOYSA-N -1 0 321.399 -0.274 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000739532597 602370562 /nfs/dbraw/zinc/37/05/62/602370562.db2.gz WZTQXDYFUJPRMR-VIFPVBQESA-N -1 0 307.372 -0.427 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)NCCCNC(=O)[O-])cc1 ZINC000740336063 602389416 /nfs/dbraw/zinc/38/94/16/602389416.db2.gz GZQDLYMGJDLWLO-UHFFFAOYSA-N -1 0 301.324 -0.279 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)C1(NC(=O)[O-])CCCC1 ZINC000739989467 602376194 /nfs/dbraw/zinc/37/61/94/602376194.db2.gz AEOVHVWXIZDXOP-UHFFFAOYSA-N -1 0 307.372 -0.378 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000739310787 602393587 /nfs/dbraw/zinc/39/35/87/602393587.db2.gz FITITWGRUBIRHT-UWVGGRQHSA-N -1 0 321.399 -0.037 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000739513438 602390214 /nfs/dbraw/zinc/39/02/14/602390214.db2.gz BZPHFWHITTZZRB-SSDOTTSWSA-N -1 0 311.385 -0.905 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)CCN(C(=O)[O-])C(C)C ZINC000739515599 602390400 /nfs/dbraw/zinc/39/04/00/602390400.db2.gz NVHCSZFBPFRMSW-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)NC1CCN(CC(=O)NC)CC1 ZINC000739312456 602390435 /nfs/dbraw/zinc/39/04/35/602390435.db2.gz MOVRHJZUAGCBIE-LLVKDONJSA-N -1 0 314.386 -0.251 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000739530689 602394097 /nfs/dbraw/zinc/39/40/97/602394097.db2.gz MKSQNVFWHGFNCL-JTQLQIEISA-N -1 0 322.321 -0.114 20 0 DBADRM NC(=O)CC1(NS(=O)(=O)CC2(CC(=O)[O-])CC2)CCC1 ZINC000833079865 602401486 /nfs/dbraw/zinc/40/14/86/602401486.db2.gz IEFFMPBFZMFCAO-UHFFFAOYSA-N -1 0 304.368 -0.041 20 0 DBADRM O=C([O-])NCCCNC(=O)N1CCN(c2cccnn2)CC1 ZINC000740649913 602403398 /nfs/dbraw/zinc/40/33/98/602403398.db2.gz NNHOVGOOTXQNJU-UHFFFAOYSA-N -1 0 308.342 -0.034 20 0 DBADRM O=C([O-])NCCCNC(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000740652775 602406943 /nfs/dbraw/zinc/40/69/43/602406943.db2.gz KUXNBERQUFWOIO-UHFFFAOYSA-N -1 0 309.286 -0.439 20 0 DBADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000739015973 602407056 /nfs/dbraw/zinc/40/70/56/602407056.db2.gz MMEZVDXSFZHIDI-QMMMGPOBSA-N -1 0 324.337 -0.006 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)NCCCNC(=O)[O-])cc1 ZINC000740340726 602408487 /nfs/dbraw/zinc/40/84/87/602408487.db2.gz MHWFOMDUOFXIPG-UHFFFAOYSA-N -1 0 315.351 -0.350 20 0 DBADRM O=C(CC[C@@H]1NC(=O)NC1=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000740352861 602416887 /nfs/dbraw/zinc/41/68/87/602416887.db2.gz DLOULHVQVWYQLJ-IUCAKERBSA-N -1 0 312.326 -0.519 20 0 DBADRM CCOc1ccnc(N2CCN(C(=O)CNC(=O)[O-])CC2)n1 ZINC000737217138 602420859 /nfs/dbraw/zinc/42/08/59/602420859.db2.gz CZWXNLJYNNTSLJ-UHFFFAOYSA-N -1 0 309.326 -0.209 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cn1cnc2c1ncnc2N ZINC000739157755 602425469 /nfs/dbraw/zinc/42/54/69/602425469.db2.gz ZAZDUNJMWMMDFA-MRVPVSSYSA-N -1 0 319.325 -0.381 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=S)NCCS(C)(=O)=O)C1 ZINC000739588175 602430312 /nfs/dbraw/zinc/43/03/12/602430312.db2.gz WMXNGCVPWFPDRW-VIFPVBQESA-N -1 0 323.440 -0.020 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=S)NCCS(C)(=O)=O)C1 ZINC000739588173 602430380 /nfs/dbraw/zinc/43/03/80/602430380.db2.gz WMXNGCVPWFPDRW-SECBINFHSA-N -1 0 323.440 -0.020 20 0 DBADRM CN(C[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1)C(=O)[O-] ZINC000739640478 602436438 /nfs/dbraw/zinc/43/64/38/602436438.db2.gz GOZCOVHUJXBPOL-VIFPVBQESA-N -1 0 312.326 -0.613 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000740341155 602438565 /nfs/dbraw/zinc/43/85/65/602438565.db2.gz KDRGADMSIXAHKB-NXEZZACHSA-N -1 0 319.383 -0.344 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)NCCN(C)C(=O)[O-] ZINC000738857951 602444485 /nfs/dbraw/zinc/44/44/85/602444485.db2.gz ABBBIHVWSVCYBO-UHFFFAOYSA-N -1 0 310.376 -0.777 20 0 DBADRM COCC(=O)N1CCN(C(=O)NCCN(C)C(=O)[O-])CC1 ZINC000739804451 602444564 /nfs/dbraw/zinc/44/45/64/602444564.db2.gz GXAJHLSZUQIKSM-UHFFFAOYSA-N -1 0 302.331 -0.904 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000738924641 602445912 /nfs/dbraw/zinc/44/59/12/602445912.db2.gz LCBCTUQEWQCZKN-CYNONHLPSA-N -1 0 324.337 -0.788 20 0 DBADRM O=C([O-])NCCNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000740659274 602450339 /nfs/dbraw/zinc/45/03/39/602450339.db2.gz JCXIEHMWFNAUML-SECBINFHSA-N -1 0 314.323 -0.900 20 0 DBADRM CCN(CCCNC(=O)Cn1cnc2c1ncnc2N)C(=O)[O-] ZINC000739416534 602457296 /nfs/dbraw/zinc/45/72/96/602457296.db2.gz FIDIVUSYVFNTIP-UHFFFAOYSA-N -1 0 321.341 -0.085 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000738454220 602457707 /nfs/dbraw/zinc/45/77/07/602457707.db2.gz RPZNGBSOLMOCNI-MRVPVSSYSA-N -1 0 319.325 -0.333 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=S)NCCN2CCOCC2)C1 ZINC000740505005 602459025 /nfs/dbraw/zinc/45/90/25/602459025.db2.gz HZZWORWTMXCKKQ-JTQLQIEISA-N -1 0 302.400 -0.465 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)NCCN1CCN(C(C)=O)CC1 ZINC000739318165 602459984 /nfs/dbraw/zinc/45/99/84/602459984.db2.gz XZSGKAMTQFVUMB-LBPRGKRZSA-N -1 0 314.386 -0.297 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000739039185 602461232 /nfs/dbraw/zinc/46/12/32/602461232.db2.gz YYFMOLCFFHMMPE-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)CCSc1nnnn1C ZINC000738923420 602463750 /nfs/dbraw/zinc/46/37/50/602463750.db2.gz HIGKAZAYCFIPDL-ZETCQYMHSA-N -1 0 302.360 -0.193 20 0 DBADRM COC(=O)CNC(=O)CN1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739762430 602464854 /nfs/dbraw/zinc/46/48/54/602464854.db2.gz PQPHNYYOGNFCML-VIFPVBQESA-N -1 0 301.343 -0.356 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2ccc(CNC(=O)[O-])cc2)CC1 ZINC000740333169 602465843 /nfs/dbraw/zinc/46/58/43/602465843.db2.gz BNPKOYTUZZBIHY-UHFFFAOYSA-N -1 0 320.349 -0.303 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000739267291 602469828 /nfs/dbraw/zinc/46/98/28/602469828.db2.gz YJMMULOGOBHKLA-SDBXPKJASA-N -1 0 312.326 -0.425 20 0 DBADRM O=C([O-])NCCC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000738653045 602471018 /nfs/dbraw/zinc/47/10/18/602471018.db2.gz LKXKOGWXGPCJPS-UHFFFAOYSA-N -1 0 322.321 -0.271 20 0 DBADRM O=C([O-])NCC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000740601028 602471272 /nfs/dbraw/zinc/47/12/72/602471272.db2.gz KRYBLRGKXUULNP-UHFFFAOYSA-N -1 0 308.294 -0.661 20 0 DBADRM CCN(CCNC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)[O-] ZINC000739433623 602472557 /nfs/dbraw/zinc/47/25/57/602472557.db2.gz FVCBSWLAUSWKRL-UHFFFAOYSA-N -1 0 305.312 -0.343 20 0 DBADRM CCN(CCNC(=O)CCc1nc(-c2nc[nH]n2)no1)C(=O)[O-] ZINC000739420751 602472928 /nfs/dbraw/zinc/47/29/28/602472928.db2.gz NKKNZFVLFZFKNN-UHFFFAOYSA-N -1 0 323.313 -0.097 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000738752481 602474884 /nfs/dbraw/zinc/47/48/84/602474884.db2.gz ZVRNEALCUITLRO-UHFFFAOYSA-N -1 0 323.313 -0.050 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000739193342 602476165 /nfs/dbraw/zinc/47/61/65/602476165.db2.gz YQUQGUKQGAKNHN-VHSXEESVSA-N -1 0 303.384 -0.124 20 0 DBADRM CN(C[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1)C(=O)[O-] ZINC000739645704 602480370 /nfs/dbraw/zinc/48/03/70/602480370.db2.gz WXCBZJNOPWNIEU-SNVBAGLBSA-N -1 0 311.338 -0.016 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000739655132 602480451 /nfs/dbraw/zinc/48/04/51/602480451.db2.gz ZAXJPQGSWHBWTH-UWVGGRQHSA-N -1 0 304.368 -0.121 20 0 DBADRM C[C@@H](C(=O)N1CC[C@H](CN(C)C(=O)[O-])C1)N1C(=O)CCC1=O ZINC000738618572 602484369 /nfs/dbraw/zinc/48/43/69/602484369.db2.gz UCKPODOILDRCEC-VHSXEESVSA-N -1 0 311.338 -0.018 20 0 DBADRM CN(C[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1)C(=O)[O-] ZINC000739643746 602484424 /nfs/dbraw/zinc/48/44/24/602484424.db2.gz JFJJEGGCJLCGOR-SECBINFHSA-N -1 0 307.372 -0.616 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CCn1cncn1 ZINC000739683985 602494278 /nfs/dbraw/zinc/49/42/78/602494278.db2.gz CGSXDHGRPGZGMK-UHFFFAOYSA-N -1 0 310.358 -0.578 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCCN2C(=O)[O-])CC1 ZINC000739990495 602494950 /nfs/dbraw/zinc/49/49/50/602494950.db2.gz GLUBCQMNPGQAQY-SNVBAGLBSA-N -1 0 319.383 -0.377 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1ccn(C)c(=O)c1 ZINC000739687947 602495528 /nfs/dbraw/zinc/49/55/28/602495528.db2.gz IAXWRRNJHAQVMJ-UHFFFAOYSA-N -1 0 322.365 -0.247 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)[C@H]1CCC(=O)NC1 ZINC000739681912 602496352 /nfs/dbraw/zinc/49/63/52/602496352.db2.gz KHCOYFKTDKGNAY-NSHDSACASA-N -1 0 312.370 -0.733 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CNC(=O)C1CC1 ZINC000739684894 602496534 /nfs/dbraw/zinc/49/65/34/602496534.db2.gz KAOQIPLFNHEONT-UHFFFAOYSA-N -1 0 312.370 -0.733 20 0 DBADRM O=C([O-])N1CCCC[C@H]1C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000740732986 602496637 /nfs/dbraw/zinc/49/66/37/602496637.db2.gz QVYDIXQBYLXARN-VIFPVBQESA-N -1 0 324.337 -0.281 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000739313080 602500967 /nfs/dbraw/zinc/50/09/67/602500967.db2.gz MHSCSUNIOBBNHQ-UWVGGRQHSA-N -1 0 321.399 -0.050 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)N1CCCS(=O)(=O)CC1 ZINC000740345463 602513528 /nfs/dbraw/zinc/51/35/28/602513528.db2.gz BTTSBPDATZDLOC-MRVPVSSYSA-N -1 0 308.381 -0.314 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)CCCN(C)C(=O)[O-])CC1 ZINC000737551728 602517993 /nfs/dbraw/zinc/51/79/93/602517993.db2.gz ABOIDIANSAIJQL-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000739750810 602518234 /nfs/dbraw/zinc/51/82/34/602518234.db2.gz QGCQMVKMFKNBJC-UHFFFAOYSA-N -1 0 307.372 -0.427 20 0 DBADRM CS(=O)(=O)NCCC(=O)NC1(CNC(=O)[O-])CCCC1 ZINC000739995526 602520398 /nfs/dbraw/zinc/52/03/98/602520398.db2.gz NOMBRINHRDWFAS-UHFFFAOYSA-N -1 0 307.372 -0.378 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000737927381 602520702 /nfs/dbraw/zinc/52/07/02/602520702.db2.gz BKJVPKZLONFOHK-UHFFFAOYSA-N -1 0 324.337 -0.852 20 0 DBADRM CCCN(CN1C(=O)C(=O)N(C)C1=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739359652 602526628 /nfs/dbraw/zinc/52/66/28/602526628.db2.gz OCLYAOXAMUSNBZ-VIFPVBQESA-N -1 0 312.326 -0.171 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000740733730 602536766 /nfs/dbraw/zinc/53/67/66/602536766.db2.gz YDVACWHXRFXZJE-ZYTOWTHASA-N -1 0 324.337 -0.377 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)NCCNS(C)(=O)=O)CC1 ZINC000737931835 602541863 /nfs/dbraw/zinc/54/18/63/602541863.db2.gz YBEIZSCGAYMJEW-UHFFFAOYSA-N -1 0 322.387 -0.681 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)CC(=O)N1CCC2(CC1)OCCO2 ZINC000738937840 602554169 /nfs/dbraw/zinc/55/41/69/602554169.db2.gz GKHLMDICMQECDX-NSHDSACASA-N -1 0 315.370 -0.060 20 0 DBADRM CC(=O)N1CCC(NC(=O)CN(C)[C@H](C)CNC(=O)[O-])CC1 ZINC000738519465 602554324 /nfs/dbraw/zinc/55/43/24/602554324.db2.gz BGQBFSDXUZJXTL-SNVBAGLBSA-N -1 0 314.386 -0.299 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)CN(C)[C@H](C)CNC(=O)[O-])C1 ZINC000738544280 602556638 /nfs/dbraw/zinc/55/66/38/602556638.db2.gz YEUGKHBQWURRPH-PWSUYJOCSA-N -1 0 314.386 -0.299 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN(C)[C@H](C)CNC(=O)[O-] ZINC000739809270 602558179 /nfs/dbraw/zinc/55/81/79/602558179.db2.gz XLRNOQXBWOZUDT-RKDXNWHRSA-N -1 0 304.347 -0.565 20 0 DBADRM COC(=O)C1CCN(C(=O)CN(C)[C@H](C)CNC(=O)[O-])CC1 ZINC000739755477 602562624 /nfs/dbraw/zinc/56/26/24/602562624.db2.gz INEPFTXQNUHLCV-SNVBAGLBSA-N -1 0 315.370 -0.014 20 0 DBADRM COCCN(C)S(=O)(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000739814613 602563126 /nfs/dbraw/zinc/56/31/26/602563126.db2.gz VEERQLHXINWDQB-SNVBAGLBSA-N -1 0 309.388 -0.069 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000739813265 602563171 /nfs/dbraw/zinc/56/31/71/602563171.db2.gz MKDNEPZJTXPRKY-UHFFFAOYSA-N -1 0 309.388 -0.211 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NCCCN2C(=O)CCC2=O)C1 ZINC000740432632 602583134 /nfs/dbraw/zinc/58/31/34/602583134.db2.gz ZBMHHSPBQVIQKD-SECBINFHSA-N -1 0 312.326 -0.423 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NC[C@H]2CCCN2C(=O)[O-])C1=O ZINC000739074296 602586639 /nfs/dbraw/zinc/58/66/39/602586639.db2.gz KHXBAJYGNUNTDO-MRVPVSSYSA-N -1 0 312.326 -0.425 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NC[C@@H]2CCCN2C(=O)[O-])C1=O ZINC000739074299 602586699 /nfs/dbraw/zinc/58/66/99/602586699.db2.gz KHXBAJYGNUNTDO-QMMMGPOBSA-N -1 0 312.326 -0.425 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2cncc(O)c2)CC1 ZINC000740404133 602589112 /nfs/dbraw/zinc/58/91/12/602589112.db2.gz LDAZPOUFTHIJHB-UHFFFAOYSA-N -1 0 308.294 -0.661 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)CNC(=O)c2ccc(O)cc2)C1 ZINC000740373357 602593618 /nfs/dbraw/zinc/59/36/18/602593618.db2.gz FJILEPUSSBPOMD-SNVBAGLBSA-N -1 0 307.306 -0.010 20 0 DBADRM O=C([O-])N[C@@H]1CCCN([C@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000740573352 602593877 /nfs/dbraw/zinc/59/38/77/602593877.db2.gz FBIITNHUUGNTLT-ZJUUUORDSA-N -1 0 319.321 -0.160 20 0 DBADRM CC(C)(NC(=O)[O-])c1noc(COC(=O)[C@H]2CNC(=O)N2)n1 ZINC000738755912 602596468 /nfs/dbraw/zinc/59/64/68/602596468.db2.gz UUJDHBNPWBZWTD-RXMQYKEDSA-N -1 0 313.270 -0.703 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000738927468 602613962 /nfs/dbraw/zinc/61/39/62/602613962.db2.gz NLSVZZRNAMPIPH-BDAKNGLRSA-N -1 0 307.372 -0.281 20 0 DBADRM CN(CCNC(=O)NCCC(=O)N1CCN(C)CC1)C(=O)[O-] ZINC000739731366 602615550 /nfs/dbraw/zinc/61/55/50/602615550.db2.gz PCTBJYNBNRDWMT-UHFFFAOYSA-N -1 0 315.374 -0.941 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCc1ccnn1C ZINC000739682725 602617623 /nfs/dbraw/zinc/61/76/23/602617623.db2.gz DVGQDSOAZDQTAL-UHFFFAOYSA-N -1 0 324.385 -0.143 20 0 DBADRM CN(CCCNC(=O)N(C)CCN1CCOCC1)C(=O)[O-] ZINC000739669308 602617907 /nfs/dbraw/zinc/61/79/07/602617907.db2.gz BCXGDEMZNNGMQO-UHFFFAOYSA-N -1 0 302.375 -0.040 20 0 DBADRM C[C@H]1CN(CCNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739183826 602625092 /nfs/dbraw/zinc/62/50/92/602625092.db2.gz TXXKINYPQKZIOQ-WDEREUQCSA-N -1 0 300.359 -0.241 20 0 DBADRM CN(CCNC(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000739695182 602629140 /nfs/dbraw/zinc/62/91/40/602629140.db2.gz QQULHEQEDOUUGU-UHFFFAOYSA-N -1 0 302.331 -0.904 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCc1nccn1C ZINC000739683229 602632043 /nfs/dbraw/zinc/63/20/43/602632043.db2.gz GPMOPYFQGDQODT-UHFFFAOYSA-N -1 0 324.385 -0.143 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NC[C@H](O)COCC2CC2)C1 ZINC000740404007 602633371 /nfs/dbraw/zinc/63/33/71/602633371.db2.gz GVBLMLMTNFYICR-QWRGUYRKSA-N -1 0 301.343 -0.175 20 0 DBADRM CN(C[C@H]1CCN(C(=O)NC[C@H]2CN(C)CCO2)C1)C(=O)[O-] ZINC000739740945 602637545 /nfs/dbraw/zinc/63/75/45/602637545.db2.gz BTLXKBXJUOINRU-NEPJUHHUSA-N -1 0 314.386 -0.042 20 0 DBADRM CN1CCO[C@H](CNC(=O)N2CC[C@@H](CNC(=O)[O-])C2)C1 ZINC000739746062 602638580 /nfs/dbraw/zinc/63/85/80/602638580.db2.gz ZKDYMYXNZJGEHY-WDEREUQCSA-N -1 0 300.359 -0.384 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000739242533 602639748 /nfs/dbraw/zinc/63/97/48/602639748.db2.gz UPZYIDJYRASXGJ-SCZZXKLOSA-N -1 0 314.342 -0.273 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000739315663 602639847 /nfs/dbraw/zinc/63/98/47/602639847.db2.gz QOYOUHSIAWWYGE-LLVKDONJSA-N -1 0 314.386 -0.297 20 0 DBADRM CN(CC(=O)NCCN1CCN(C(=O)[O-])CC1)C(=O)C1CC1 ZINC000739623442 602640006 /nfs/dbraw/zinc/64/00/06/602640006.db2.gz NXRXRSMDVSQKRM-UHFFFAOYSA-N -1 0 312.370 -0.733 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000740335209 602650219 /nfs/dbraw/zinc/65/02/19/602650219.db2.gz IYZUKRQVPPHPCG-SNVBAGLBSA-N -1 0 320.305 -0.408 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)COCCNC(=O)[O-])c1 ZINC000739748852 602660319 /nfs/dbraw/zinc/66/03/19/602660319.db2.gz TZRDLWOPGSCIQI-UHFFFAOYSA-N -1 0 309.322 -0.053 20 0 DBADRM CN(CCOC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)[O-] ZINC000738002016 602661283 /nfs/dbraw/zinc/66/12/83/602661283.db2.gz KNOIEKPNEGFTNC-CYBMUJFWSA-N -1 0 313.310 -0.140 20 0 DBADRM O=C([O-])N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000740492975 602664229 /nfs/dbraw/zinc/66/42/29/602664229.db2.gz UMGHOTXEFBBSBB-NSHDSACASA-N -1 0 306.384 -0.124 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000740668490 602664516 /nfs/dbraw/zinc/66/45/16/602664516.db2.gz SOPCJSCXXZRIDJ-ZDUSSCGKSA-N -1 0 321.333 -0.030 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000740663092 602664707 /nfs/dbraw/zinc/66/47/07/602664707.db2.gz DUDXPOFWQYJNON-SNVBAGLBSA-N -1 0 302.327 -0.118 20 0 DBADRM CC1(C)COCCN1CCNC(=O)COCCNC(=O)[O-] ZINC000739062953 602666024 /nfs/dbraw/zinc/66/60/24/602666024.db2.gz DHFWDZZRMYCYEH-UHFFFAOYSA-N -1 0 303.359 -0.502 20 0 DBADRM C[C@@H](NC(=O)COCCNC(=O)[O-])[C@H](C)N1CCOCC1 ZINC000738965613 602666029 /nfs/dbraw/zinc/66/60/29/602666029.db2.gz RANLIGFCLFWPGF-MNOVXSKESA-N -1 0 303.359 -0.504 20 0 DBADRM NC(=O)[C@H]1c2ccccc2CCN1C(=O)COCCNC(=O)[O-] ZINC000740329947 602666560 /nfs/dbraw/zinc/66/65/60/602666560.db2.gz WPUVYDKEFABHJF-CYBMUJFWSA-N -1 0 321.333 -0.118 20 0 DBADRM CN(CC(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1)C(=O)[O-] ZINC000737385631 602672562 /nfs/dbraw/zinc/67/25/62/602672562.db2.gz UEXFLMORZXUOMF-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM COCCN(C(=O)CN(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737765839 602675085 /nfs/dbraw/zinc/67/50/85/602675085.db2.gz VQEIYIVEUHFGEO-VIFPVBQESA-N -1 0 308.356 -0.742 20 0 DBADRM Cc1cnn(CCN(C)CC(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000740201150 602684501 /nfs/dbraw/zinc/68/45/01/602684501.db2.gz PJVXVTRGTVFGHZ-UHFFFAOYSA-N -1 0 309.370 -0.054 20 0 DBADRM CSC[C@H](C)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739997552 602685232 /nfs/dbraw/zinc/68/52/32/602685232.db2.gz JBIYEHWVUPNNJU-VIFPVBQESA-N -1 0 303.384 -0.076 20 0 DBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)CNC(=O)[O-])CC1 ZINC000737889957 602687350 /nfs/dbraw/zinc/68/73/50/602687350.db2.gz LSYBUUUFBGMDMB-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H](C)NC(=O)[O-])CC1 ZINC000739517219 602687658 /nfs/dbraw/zinc/68/76/58/602687658.db2.gz KLJLPEVVRREUAE-SECBINFHSA-N -1 0 321.399 -0.085 20 0 DBADRM O=C([O-])N1CC[C@H](CCNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000740425532 602690705 /nfs/dbraw/zinc/69/07/05/602690705.db2.gz GJHOVTXKYWMBMW-VHSXEESVSA-N -1 0 319.383 -0.137 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739758791 602701758 /nfs/dbraw/zinc/70/17/58/602701758.db2.gz GCNICYUSUFBHCR-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM CN(C(=O)NCCN1CCN(C(=O)[O-])CC1)[C@@H]1CCOC1 ZINC000739575180 602709088 /nfs/dbraw/zinc/70/90/88/602709088.db2.gz IPJKQOFPLZZMGO-LLVKDONJSA-N -1 0 300.359 -0.288 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2csc(CNC(=O)[O-])n2)CCO1 ZINC000740328581 602710261 /nfs/dbraw/zinc/71/02/61/602710261.db2.gz RCGDEPABSBGOQC-ZETCQYMHSA-N -1 0 314.323 -0.763 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=S)NCCNS(C)(=O)=O ZINC000739162011 602713044 /nfs/dbraw/zinc/71/30/44/602713044.db2.gz RVEGIBPMDKZUBT-QMMMGPOBSA-N -1 0 324.428 -0.906 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000739466209 602728681 /nfs/dbraw/zinc/72/86/81/602728681.db2.gz PQPPBWVWXUZKMX-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000740329725 602721473 /nfs/dbraw/zinc/72/14/73/602721473.db2.gz ZCRWLCJCZOCWDH-VHSXEESVSA-N -1 0 314.342 -0.728 20 0 DBADRM NC(=O)NC(=O)COC(=O)c1csc(CNC(=O)[O-])n1 ZINC000740331464 602722512 /nfs/dbraw/zinc/72/25/12/602722512.db2.gz GLCSKZLWUQWULC-UHFFFAOYSA-N -1 0 302.268 -0.738 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000739158940 602722628 /nfs/dbraw/zinc/72/26/28/602722628.db2.gz WEONLDBFTWKJGR-VIFPVBQESA-N -1 0 324.341 -0.809 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000738993689 602729253 /nfs/dbraw/zinc/72/92/53/602729253.db2.gz GFUBBBJHSMZMCC-QMMMGPOBSA-N -1 0 307.372 -0.522 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000738855084 602730254 /nfs/dbraw/zinc/73/02/54/602730254.db2.gz JLSKALJBJRBKLQ-NSHDSACASA-N -1 0 314.386 -0.347 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCC(=O)N1CCOCC1 ZINC000739145865 602730283 /nfs/dbraw/zinc/73/02/83/602730283.db2.gz BERUOXKHMLVICS-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCCN1C(=O)CNC1=O ZINC000739146914 602731826 /nfs/dbraw/zinc/73/18/26/602731826.db2.gz GJFNULXILUXICN-SECBINFHSA-N -1 0 312.326 -0.471 20 0 DBADRM COC1(C(=O)N[C@@H]2CCc3ncnn3C2)CCN(C(=O)[O-])CC1 ZINC000739798845 602734977 /nfs/dbraw/zinc/73/49/77/602734977.db2.gz LNYXTWREGRNNLM-SNVBAGLBSA-N -1 0 323.353 -0.132 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000737121875 602747866 /nfs/dbraw/zinc/74/78/66/602747866.db2.gz BVIXGSGADSZVOP-UHFFFAOYSA-N -1 0 322.387 -0.633 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NCCN(C(=O)[O-])C1CC1 ZINC000739464951 602749839 /nfs/dbraw/zinc/74/98/39/602749839.db2.gz IDZNWGDJEBXURX-UHFFFAOYSA-N -1 0 322.387 -0.633 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCCN(C(=O)[O-])CC1 ZINC000737857690 602750131 /nfs/dbraw/zinc/75/01/31/602750131.db2.gz KXKYDFIYDPFLLL-UHFFFAOYSA-N -1 0 322.387 -0.679 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CCN(C(=O)[O-])C[C@@H]1C ZINC000739368873 602752538 /nfs/dbraw/zinc/75/25/38/602752538.db2.gz XKZCONPBROWRRA-NSHDSACASA-N -1 0 314.386 -0.345 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@@H](C)N1C(=O)[O-] ZINC000739165999 602762822 /nfs/dbraw/zinc/76/28/22/602762822.db2.gz JDIKYEPDMWRLMY-HTQZYQBOSA-N -1 0 310.310 -0.301 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000824382898 602763591 /nfs/dbraw/zinc/76/35/91/602763591.db2.gz UGVFFLAGITXYLL-JTQLQIEISA-N -1 0 321.399 -0.037 20 0 DBADRM Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NCCN(C)C(=O)[O-] ZINC000740119749 602765327 /nfs/dbraw/zinc/76/53/27/602765327.db2.gz YCWXNMIXONGNDW-UHFFFAOYSA-N -1 0 322.321 -0.242 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739476296 602767061 /nfs/dbraw/zinc/76/70/61/602767061.db2.gz RHWWDUUYWWOPRK-GHMZBOCLSA-N -1 0 315.370 -0.014 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739476299 602767376 /nfs/dbraw/zinc/76/73/76/602767376.db2.gz RHWWDUUYWWOPRK-QWRGUYRKSA-N -1 0 315.370 -0.014 20 0 DBADRM CC(C)[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)NC(=O)[O-] ZINC000738779240 602773961 /nfs/dbraw/zinc/77/39/61/602773961.db2.gz VIJIQRFMANRTOS-MRVPVSSYSA-N -1 0 300.315 -0.711 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000740008042 602776522 /nfs/dbraw/zinc/77/65/22/602776522.db2.gz YCSXEJVRMAXGPD-OAQYLSRUSA-N -1 0 314.323 -0.395 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000825193325 602788919 /nfs/dbraw/zinc/78/89/19/602788919.db2.gz IBOXLAZBVHMMDP-WCBMZHEXSA-N -1 0 324.341 -0.586 20 0 DBADRM C[C@H](NC(=O)CN1CC[C@H](NC(=O)[O-])[C@H](C)C1)C(=O)N(C)C ZINC000738961252 602789284 /nfs/dbraw/zinc/78/92/84/602789284.db2.gz LZHQVRRPPWZXKK-VWYCJHECSA-N -1 0 314.386 -0.443 20 0 DBADRM CN(CC(=O)NCc1cc(S(N)(=O)=O)ccc1F)C(=O)[O-] ZINC000737393642 602809618 /nfs/dbraw/zinc/80/96/18/602809618.db2.gz QVHATDKDIMSLGP-UHFFFAOYSA-N -1 0 319.314 -0.301 20 0 DBADRM CCN(CC(=O)O[C@H](C)C(=O)NC(=O)NC1CC1)C(=O)[O-] ZINC000739404171 602814646 /nfs/dbraw/zinc/81/46/46/602814646.db2.gz VFPIREHHGPKHDR-SSDOTTSWSA-N -1 0 301.299 -0.094 20 0 DBADRM C[C@@H](CC(=O)NCCCN1CCCS1(=O)=O)NC(=O)[O-] ZINC000824646769 602811795 /nfs/dbraw/zinc/81/17/95/602811795.db2.gz OJQVMOCWIADOQD-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM Cn1ccc(N2CCC[C@@H](NC(=O)CCNC(=O)[O-])C2=O)n1 ZINC000738410625 602818149 /nfs/dbraw/zinc/81/81/49/602818149.db2.gz HYDXICPUKFAOBG-SECBINFHSA-N -1 0 309.326 -0.311 20 0 DBADRM CN1CC[C@@H](NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)C1=O ZINC000739730007 602818214 /nfs/dbraw/zinc/81/82/14/602818214.db2.gz UXXFVNCSFCEZPX-SNVBAGLBSA-N -1 0 312.370 -0.593 20 0 DBADRM NC(=O)CN1CCC(NC(=O)[C@H]2CCCCN2C(=O)[O-])CC1 ZINC000740333630 602821617 /nfs/dbraw/zinc/82/16/17/602821617.db2.gz DUCIAGXFRYGRPA-LLVKDONJSA-N -1 0 312.370 -0.415 20 0 DBADRM CC(C)(CNC(=O)[C@H]1COCCN1C(=O)[O-])N1CCOCC1 ZINC000738747083 602825390 /nfs/dbraw/zinc/82/53/90/602825390.db2.gz MOLCVYFDHVKYAZ-LLVKDONJSA-N -1 0 315.370 -0.408 20 0 DBADRM COC(=O)CCNC(=O)CN1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000739763320 602828032 /nfs/dbraw/zinc/82/80/32/602828032.db2.gz VLQWWKIZHWGDCG-NXEZZACHSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@H](NC(=O)CN1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1)C(=O)N(C)C ZINC000738961017 602828413 /nfs/dbraw/zinc/82/84/13/602828413.db2.gz KITJXHWUHQYSLR-MXWKQRLJSA-N -1 0 314.386 -0.348 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000740340649 602828432 /nfs/dbraw/zinc/82/84/32/602828432.db2.gz HPMNOSFUXGYUBB-NSHDSACASA-N -1 0 311.338 -0.554 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739761964 602829754 /nfs/dbraw/zinc/82/97/54/602829754.db2.gz OKAIDBIWCWOZQK-AEJSXWLSSA-N -1 0 301.343 -0.263 20 0 DBADRM CC(C)(CCC(=O)N1CCCN(CC(N)=O)CC1)NC(=O)[O-] ZINC000738738094 602831109 /nfs/dbraw/zinc/83/11/09/602831109.db2.gz CEMFANPCJJICFX-UHFFFAOYSA-N -1 0 314.386 -0.168 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000740469850 602833586 /nfs/dbraw/zinc/83/35/86/602833586.db2.gz MUFYHETYIQKPFO-LLVKDONJSA-N -1 0 318.293 -0.020 20 0 DBADRM NC(=O)COc1ccc(NC(=O)[C@H]2COCCN2C(=O)[O-])cc1 ZINC000740331780 602838862 /nfs/dbraw/zinc/83/88/62/602838862.db2.gz PJLGPJASAUFQAC-LLVKDONJSA-N -1 0 323.305 -0.132 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CCO[C@H](C(N)=O)C1)NC(=O)[O-] ZINC000738783515 602842005 /nfs/dbraw/zinc/84/20/05/602842005.db2.gz HHXUERYLHAPSPG-IUCAKERBSA-N -1 0 302.331 -0.826 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(C(=O)[O-])CC1 ZINC000737617932 602844376 /nfs/dbraw/zinc/84/43/76/602844376.db2.gz XAYDZCLXGYJHEJ-SECBINFHSA-N -1 0 307.372 -0.618 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CN(CC2CC2)C(=O)[O-])CCO1 ZINC000828643015 602845618 /nfs/dbraw/zinc/84/56/18/602845618.db2.gz YAKQADUCGVQPLO-JTQLQIEISA-N -1 0 300.311 -0.223 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCC(NC(=O)[O-])CC1 ZINC000738758074 602849592 /nfs/dbraw/zinc/84/95/92/602849592.db2.gz QTCIPQKOWQFBBS-UHFFFAOYSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)COCCNC(=O)[O-] ZINC000738649140 602852910 /nfs/dbraw/zinc/85/29/10/602852910.db2.gz AFSHMMYZOBEJJC-IUCAKERBSA-N -1 0 310.372 -0.449 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000740457921 602854056 /nfs/dbraw/zinc/85/40/56/602854056.db2.gz CHMBOZBPVNSYQR-JTQLQIEISA-N -1 0 318.293 -0.020 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 ZINC000739524690 602854317 /nfs/dbraw/zinc/85/43/17/602854317.db2.gz PRFRKJWILVMFJL-IUCAKERBSA-N -1 0 307.372 -0.427 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCN1C(=O)CSC1=O ZINC000740439037 602855397 /nfs/dbraw/zinc/85/53/97/602855397.db2.gz KMBRAQMSTGXXFG-ZETCQYMHSA-N -1 0 317.323 -0.823 20 0 DBADRM O=C([O-])NCCOCC(=O)NCC1(O)Cc2ccccc2C1 ZINC000740666439 602855571 /nfs/dbraw/zinc/85/55/71/602855571.db2.gz FMCVRLKRYOLZAN-UHFFFAOYSA-N -1 0 308.334 -0.083 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2O)CCO1 ZINC000740326205 602857062 /nfs/dbraw/zinc/85/70/62/602857062.db2.gz CQYKHYUEZWQQFS-SNVBAGLBSA-N -1 0 309.278 -0.192 20 0 DBADRM COCCN(C(=O)C[C@H](C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000828964104 602857571 /nfs/dbraw/zinc/85/75/71/602857571.db2.gz LBZYWPASUGBCNW-VHSXEESVSA-N -1 0 322.383 -0.305 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CCC[C@@H](NC(=O)[O-])C2)C1=O ZINC000738060911 602859459 /nfs/dbraw/zinc/85/94/59/602859459.db2.gz WJIDVRDYBGTTKD-RNCFNFMXSA-N -1 0 314.342 -0.367 20 0 DBADRM CCN(CC(=O)Oc1cccc(C(=O)NCC(N)=O)c1)C(=O)[O-] ZINC000739403734 602867476 /nfs/dbraw/zinc/86/74/76/602867476.db2.gz MLJVKADBAICVMQ-UHFFFAOYSA-N -1 0 323.305 -0.193 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739036208 602868058 /nfs/dbraw/zinc/86/80/58/602868058.db2.gz AONDOEMBTKHLOA-XHNCKOQMSA-N -1 0 307.372 -0.571 20 0 DBADRM CNC(=O)C1CCC(NC(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739739793 602870049 /nfs/dbraw/zinc/87/00/49/602870049.db2.gz VQEJYTNAGQWERX-VQXHTEKXSA-N -1 0 313.354 -0.214 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000739476710 602870766 /nfs/dbraw/zinc/87/07/66/602870766.db2.gz UBOMPHLLMYMLHL-VIFPVBQESA-N -1 0 308.356 -0.047 20 0 DBADRM CC(C)CNC(=O)CN(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738826345 602872789 /nfs/dbraw/zinc/87/27/89/602872789.db2.gz VQGSXUTWDLMFGC-UHFFFAOYSA-N -1 0 300.403 -0.014 20 0 DBADRM CNC(=O)NC(=O)[C@@H](C)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739748285 602877123 /nfs/dbraw/zinc/87/71/23/602877123.db2.gz JWFFPHYRKSBOST-SNVBAGLBSA-N -1 0 315.374 -0.942 20 0 DBADRM CN(CC1CC1)S(=O)(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739632345 602877843 /nfs/dbraw/zinc/87/78/43/602877843.db2.gz BXXCNYBSUJYTNS-UHFFFAOYSA-N -1 0 320.415 -0.542 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000738758075 602878124 /nfs/dbraw/zinc/87/81/24/602878124.db2.gz QVHOIQFIDTYGNB-MRVPVSSYSA-N -1 0 307.372 -0.570 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC000739577317 602880056 /nfs/dbraw/zinc/88/00/56/602880056.db2.gz WUIHMJJVXBCHHU-VIFPVBQESA-N -1 0 321.399 -0.085 20 0 DBADRM NC(=O)CC[C@H]1CCCN(C(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000740330233 602883405 /nfs/dbraw/zinc/88/34/05/602883405.db2.gz ZKKLVESFWJOUJZ-GHMZBOCLSA-N -1 0 313.354 -0.131 20 0 DBADRM COC(=O)[C@@H]1CCCN(C(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000739775501 602883458 /nfs/dbraw/zinc/88/34/58/602883458.db2.gz XWGXHRMEHDOVDX-NXEZZACHSA-N -1 0 300.311 -0.223 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000738700969 602885067 /nfs/dbraw/zinc/88/50/67/602885067.db2.gz PGQYUDXMDOHUKA-VIFPVBQESA-N -1 0 301.343 -0.214 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000740283888 602887087 /nfs/dbraw/zinc/88/70/87/602887087.db2.gz QWAFISZRQPIVOE-ZCFIWIBFSA-N -1 0 301.328 -0.901 20 0 DBADRM C[C@@H]1CN(C(=O)NCCNS(C)(=O)=O)C[C@H](C)N1C(=O)[O-] ZINC000739136326 602887631 /nfs/dbraw/zinc/88/76/31/602887631.db2.gz DNSCOLDOLWIVGD-DTORHVGOSA-N -1 0 322.387 -0.682 20 0 DBADRM O=C([O-])N(CC(=O)N1CCS(=O)CC1)C[C@@H]1CCCO1 ZINC000740492652 602889927 /nfs/dbraw/zinc/88/99/27/602889927.db2.gz SGFYULXTZFTIHU-JTQLQIEISA-N -1 0 304.368 -0.264 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000740284525 602890586 /nfs/dbraw/zinc/89/05/86/602890586.db2.gz SPEJTCNNSWTJTF-SSDOTTSWSA-N -1 0 315.355 -0.859 20 0 DBADRM CNC(=O)NC(=O)COC(=O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000739748796 602891667 /nfs/dbraw/zinc/89/16/67/602891667.db2.gz LUWFSHLCTHTYNM-SNVBAGLBSA-N -1 0 309.278 -0.006 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739458005 602893723 /nfs/dbraw/zinc/89/37/23/602893723.db2.gz AELIOMYAASCOCU-YUMQZZPRSA-N -1 0 301.299 -0.236 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739457997 602893797 /nfs/dbraw/zinc/89/37/97/602893797.db2.gz AELIOMYAASCOCU-HTQZYQBOSA-N -1 0 301.299 -0.236 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000738758518 602893823 /nfs/dbraw/zinc/89/38/23/602893823.db2.gz YITJRKQHCFPBOO-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H]1CN(C(=O)NCCS(C)(=O)=O)C[C@@H](C)N1C(=O)[O-] ZINC000739141374 602895532 /nfs/dbraw/zinc/89/55/32/602895532.db2.gz OSJSTHVKSMKASQ-RKDXNWHRSA-N -1 0 307.372 -0.187 20 0 DBADRM O=C(COC(=O)[C@@H]1CCN(C(=O)[O-])C1)NC[C@@H]1CCCO1 ZINC000740377702 602897034 /nfs/dbraw/zinc/89/70/34/602897034.db2.gz MGUHSKNZORRWFC-ZJUUUORDSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCCS(=O)(=O)CC1 ZINC000740353616 602900440 /nfs/dbraw/zinc/90/04/40/602900440.db2.gz ZABDFECGOYJTIO-VIFPVBQESA-N -1 0 306.340 -0.988 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)CC1SC(=N)NC1=O ZINC000826020509 602900498 /nfs/dbraw/zinc/90/04/98/602900498.db2.gz NARDDEPALRBHTR-NKWVEPMBSA-N -1 0 300.340 -0.246 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CC1SC(=N)NC1=O ZINC000826020512 602900592 /nfs/dbraw/zinc/90/05/92/602900592.db2.gz NARDDEPALRBHTR-RQJHMYQMSA-N -1 0 300.340 -0.246 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000740400820 602901767 /nfs/dbraw/zinc/90/17/67/602901767.db2.gz ZHARBGKURDRBAA-BDAKNGLRSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000740400829 602901796 /nfs/dbraw/zinc/90/17/96/602901796.db2.gz ZHARBGKURDRBAA-RKDXNWHRSA-N -1 0 306.340 -0.941 20 0 DBADRM C[C@H](NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C(=O)N(C)C ZINC000738959911 602902490 /nfs/dbraw/zinc/90/24/90/602902490.db2.gz XWLZECLEQCMEQJ-UWVGGRQHSA-N -1 0 301.343 -0.262 20 0 DBADRM CCN(CC(=O)NC)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739389861 602903091 /nfs/dbraw/zinc/90/30/91/602903091.db2.gz PXOKIXKEZVHHKG-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CN(C)c1ncc(CNC(=O)[C@H]2COCCN2C(=O)[O-])n1C ZINC000739619860 602903117 /nfs/dbraw/zinc/90/31/17/602903117.db2.gz XMSQVIYYIUUTRR-SNVBAGLBSA-N -1 0 311.342 -0.519 20 0 DBADRM CNC(=O)CCCNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739740272 602905457 /nfs/dbraw/zinc/90/54/57/602905457.db2.gz KMZSOTVRVUTQEA-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000739157219 602917064 /nfs/dbraw/zinc/91/70/64/602917064.db2.gz WRSOWSSQAKTCCV-VHSXEESVSA-N -1 0 308.342 -0.013 20 0 DBADRM O=C(CN1CCCS1(=O)=O)OC[C@@H]1CCCN1C(=O)[O-] ZINC000740370093 602924239 /nfs/dbraw/zinc/92/42/39/602924239.db2.gz UEUVNKSAKQKSEK-VIFPVBQESA-N -1 0 306.340 -0.293 20 0 DBADRM C[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CCN1C(=O)[O-] ZINC000739126409 602925231 /nfs/dbraw/zinc/92/52/31/602925231.db2.gz PSWATEWTZMJYCF-VIFPVBQESA-N -1 0 310.310 -0.863 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@@H]1NC(=O)[O-] ZINC000739140261 602929288 /nfs/dbraw/zinc/92/92/88/602929288.db2.gz ZBSXVOWWGMISHO-UTLUCORTSA-N -1 0 319.383 -0.139 20 0 DBADRM CC(C)[C@H](O)CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738795886 602934437 /nfs/dbraw/zinc/93/44/37/602934437.db2.gz BKSNSKDFPSEGRD-SNVBAGLBSA-N -1 0 316.358 -0.875 20 0 DBADRM C[C@@H](NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)[C@H](C)CO ZINC000738938787 602934608 /nfs/dbraw/zinc/93/46/08/602934608.db2.gz JXPANBQHBHAGEL-NXEZZACHSA-N -1 0 316.358 -0.875 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CCN1C(=O)[O-] ZINC000739136838 602935649 /nfs/dbraw/zinc/93/56/49/602935649.db2.gz SKJIZODZMWLTAZ-SECBINFHSA-N -1 0 320.309 -0.898 20 0 DBADRM C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CCN1C(=O)[O-] ZINC000739119531 602939413 /nfs/dbraw/zinc/93/94/13/602939413.db2.gz HGUYOAHERQONHT-MRVPVSSYSA-N -1 0 307.372 -0.475 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CCN1C(=O)[O-] ZINC000739124434 602942474 /nfs/dbraw/zinc/94/24/74/602942474.db2.gz HGQGZGCQMVCQQZ-UWVGGRQHSA-N -1 0 319.383 -0.379 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])c1noc(-c2cn(C)c(=O)n(C)c2=O)n1 ZINC000738907307 602949671 /nfs/dbraw/zinc/94/96/71/602949671.db2.gz LCQJDKULTSAANQ-SSDOTTSWSA-N -1 0 323.309 -0.153 20 0 DBADRM C[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)CCN1C(=O)[O-] ZINC000739125418 602950315 /nfs/dbraw/zinc/95/03/15/602950315.db2.gz ACCGUFSNRSOYLV-SECBINFHSA-N -1 0 312.326 -0.471 20 0 DBADRM Cn1cc(C(=O)Nc2ccc(NC(=O)[O-])nc2)c(=O)n(C)c1=O ZINC000740284555 602952227 /nfs/dbraw/zinc/95/22/27/602952227.db2.gz NDWLUIMWLOQIOH-UHFFFAOYSA-N -1 0 319.277 -0.179 20 0 DBADRM Cn1cc(C(=O)N2CCC(CNC(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000740280966 602954792 /nfs/dbraw/zinc/95/47/92/602954792.db2.gz PKKRMNWJWALHQA-UHFFFAOYSA-N -1 0 324.337 -0.796 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000736360530 602961554 /nfs/dbraw/zinc/96/15/54/602961554.db2.gz GOEOTXHDRXOGKX-RKDXNWHRSA-N -1 0 307.372 -0.571 20 0 DBADRM CN(C[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1)C(=O)[O-] ZINC000739658087 602956187 /nfs/dbraw/zinc/95/61/87/602956187.db2.gz SKQGLWJFFFSJDC-SECBINFHSA-N -1 0 324.337 -0.844 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C2CCN(C(=O)[O-])CC2)C1 ZINC000738134589 602961589 /nfs/dbraw/zinc/96/15/89/602961589.db2.gz CSBHMPRORFKJGQ-SNVBAGLBSA-N -1 0 319.383 -0.474 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000739991168 602963449 /nfs/dbraw/zinc/96/34/49/602963449.db2.gz KWVHKHNZWYCFNX-BDAKNGLRSA-N -1 0 305.356 -0.721 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCCN2C(=O)[O-])C1 ZINC000739989882 602963551 /nfs/dbraw/zinc/96/35/51/602963551.db2.gz DMNJHNPUYAAXSM-UWVGGRQHSA-N -1 0 319.383 -0.331 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC000739991045 602963644 /nfs/dbraw/zinc/96/36/44/602963644.db2.gz JKBFYFARBULFMZ-YUMQZZPRSA-N -1 0 323.396 -0.811 20 0 DBADRM C[C@H](CC(=O)Nc1nc(CS(C)(=O)=O)no1)NC(=O)[O-] ZINC000824710739 602967989 /nfs/dbraw/zinc/96/79/89/602967989.db2.gz KYUJEMLLXHKBPP-RXMQYKEDSA-N -1 0 306.300 -0.401 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000739996457 602968339 /nfs/dbraw/zinc/96/83/39/602968339.db2.gz RSIVSNBJBIWZFV-DTWKUNHWSA-N -1 0 320.371 -0.928 20 0 DBADRM C[C@H](CCNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)NC(=O)[O-] ZINC000738906839 602968475 /nfs/dbraw/zinc/96/84/75/602968475.db2.gz PGUZESXMEUOJOJ-RKDXNWHRSA-N -1 0 322.387 -0.634 20 0 DBADRM CN(CC(=O)Nc1ccn(CCS(C)(=O)=O)n1)C(=O)[O-] ZINC000739627843 602974647 /nfs/dbraw/zinc/97/46/47/602974647.db2.gz FLOKXDACXDDRHW-UHFFFAOYSA-N -1 0 304.328 -0.524 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000739515112 602980155 /nfs/dbraw/zinc/98/01/55/602980155.db2.gz LRBHIUIIMXAWJP-DTWKUNHWSA-N -1 0 307.372 -0.522 20 0 DBADRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC000740625193 602981087 /nfs/dbraw/zinc/98/10/87/602981087.db2.gz VMHCINVNJFKMMV-ZJUUUORDSA-N -1 0 324.337 -0.521 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000739993646 602982331 /nfs/dbraw/zinc/98/23/31/602982331.db2.gz FEJQRVFNBCGUCX-QMMMGPOBSA-N -1 0 324.428 -0.954 20 0 DBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)CN1CCC(=O)NC1=O ZINC000738771302 602983028 /nfs/dbraw/zinc/98/30/28/602983028.db2.gz KIONIEMBZWYKBJ-ZDUSSCGKSA-N -1 0 314.342 -0.273 20 0 DBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)CN1CCC(=O)NC1=O ZINC000738771300 602983123 /nfs/dbraw/zinc/98/31/23/602983123.db2.gz KIONIEMBZWYKBJ-CYBMUJFWSA-N -1 0 314.342 -0.273 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)OC[C@H]1CCCCO1 ZINC000740370996 602983905 /nfs/dbraw/zinc/98/39/05/602983905.db2.gz IKIKVHJPMMDTHV-SNVBAGLBSA-N -1 0 300.311 -0.079 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)COCCNC(=O)[O-])C[C@@H]1C ZINC000739042054 602984874 /nfs/dbraw/zinc/98/48/74/602984874.db2.gz CGUTUOJUZPGAGS-WDEREUQCSA-N -1 0 303.359 -0.816 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000829672610 602994029 /nfs/dbraw/zinc/99/40/29/602994029.db2.gz CZORGVKRZVZHTP-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@H]1CC(=O)N(CC(N)=O)C1 ZINC000736425107 602998795 /nfs/dbraw/zinc/99/87/95/602998795.db2.gz JYQKUBLMIADPPA-DTWKUNHWSA-N -1 0 315.326 -0.702 20 0 DBADRM NC(=O)Cn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])nn1 ZINC000831199999 603009661 /nfs/dbraw/zinc/00/96/61/603009661.db2.gz PWXUJARDZBBIQG-CBLAIPOGSA-N -1 0 322.325 -0.833 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739621988 603013246 /nfs/dbraw/zinc/01/32/46/603013246.db2.gz RETZECZCTWMPEC-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM COCCN(CC(=O)N1CC[C@@H](N2CCOCC2)C1)C(=O)[O-] ZINC000739817697 603014774 /nfs/dbraw/zinc/01/47/74/603014774.db2.gz VTZAEZCVAORCCZ-GFCCVEGCSA-N -1 0 315.370 -0.454 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[O-])C2=O)cn1 ZINC000740289411 603015579 /nfs/dbraw/zinc/01/55/79/603015579.db2.gz IASJVOITXQYOME-QWRGUYRKSA-N -1 0 321.337 -0.216 20 0 DBADRM Cc1csc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000740211406 603015936 /nfs/dbraw/zinc/01/59/36/603015936.db2.gz YIRICMOZNUBPMB-UHFFFAOYSA-N -1 0 312.351 -0.110 20 0 DBADRM C[C@@H](CNC(=O)CN1CCN(C(=O)[O-])CC1=O)Cn1cccn1 ZINC000738917461 603016923 /nfs/dbraw/zinc/01/69/23/603016923.db2.gz QFUPDBJCOKETGF-NSHDSACASA-N -1 0 323.353 -0.542 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)NCCC(=O)N1CCOCC1 ZINC000740572554 603019479 /nfs/dbraw/zinc/01/94/79/603019479.db2.gz GNVAVIDUGQJTTB-MNOVXSKESA-N -1 0 313.354 -0.212 20 0 DBADRM CCN(Cc1cnn(C)c1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739444293 603020741 /nfs/dbraw/zinc/02/07/41/603020741.db2.gz JOXUUTIQSGRUPX-UHFFFAOYSA-N -1 0 323.353 -0.409 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])c1noc(CCNS(C)(=O)=O)n1 ZINC000738905683 603021297 /nfs/dbraw/zinc/02/12/97/603021297.db2.gz FZUCVWSNERNKHN-SSDOTTSWSA-N -1 0 306.344 -0.125 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000739522834 603024226 /nfs/dbraw/zinc/02/42/26/603024226.db2.gz FURPRYAFNJYSPX-IUCAKERBSA-N -1 0 322.387 -0.936 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CCS1 ZINC000739129719 603024830 /nfs/dbraw/zinc/02/48/30/603024830.db2.gz ARXOFPMHRRZXIR-SECBINFHSA-N -1 0 301.368 -0.228 20 0 DBADRM CCCOC(=O)CCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739364566 603026285 /nfs/dbraw/zinc/02/62/85/603026285.db2.gz CPLBKHRTEKLULV-UHFFFAOYSA-N -1 0 315.326 -0.732 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)NCCCNC(=O)[O-])C2=O)cn1 ZINC000740291077 603026731 /nfs/dbraw/zinc/02/67/31/603026731.db2.gz PAQQUVZWLTVURD-SNVBAGLBSA-N -1 0 324.341 -0.518 20 0 DBADRM COC(=O)[C@H](C)CN(C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739760026 603029024 /nfs/dbraw/zinc/02/90/24/603029024.db2.gz RODNDVIHIXYCQJ-SECBINFHSA-N -1 0 315.326 -0.924 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000740366622 603029105 /nfs/dbraw/zinc/02/91/05/603029105.db2.gz CRWPFJOPYFZEAI-JTQLQIEISA-N -1 0 321.337 -0.795 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)[O-])CCO1 ZINC000739471845 603033307 /nfs/dbraw/zinc/03/33/07/603033307.db2.gz FKVRWBFAMDIJKA-IUCAKERBSA-N -1 0 318.351 -0.170 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)CN(CCOC)C(=O)[O-])CCO1 ZINC000739477839 603034134 /nfs/dbraw/zinc/03/41/34/603034134.db2.gz WCEPBCCDMWYXDO-JTQLQIEISA-N -1 0 318.326 -0.597 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000739515081 603035600 /nfs/dbraw/zinc/03/56/00/603035600.db2.gz LFQLFBBJSXBDAG-NXEZZACHSA-N -1 0 321.399 -0.132 20 0 DBADRM O=C([O-])N[C@H]1CCCN(C(=O)NCCN2C(=O)CCC2=O)C1 ZINC000738650002 603037111 /nfs/dbraw/zinc/03/71/11/603037111.db2.gz GRVARGJYKQJVSQ-VIFPVBQESA-N -1 0 312.326 -0.423 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)NCCN1C(=O)CCC1=O ZINC000740441381 603038287 /nfs/dbraw/zinc/03/82/87/603038287.db2.gz ZJKDZDKUIWDYEU-SECBINFHSA-N -1 0 312.326 -0.423 20 0 DBADRM CC(C)(CC(=O)N1CCC[C@H](CS(N)(=O)=O)C1)NC(=O)[O-] ZINC000738733062 603047201 /nfs/dbraw/zinc/04/72/01/603047201.db2.gz XDHTXISCGDQWRE-VIFPVBQESA-N -1 0 321.399 -0.050 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739464317 603047571 /nfs/dbraw/zinc/04/75/71/603047571.db2.gz DWGYNLWKPYPBNB-IUCAKERBSA-N -1 0 307.372 -0.522 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738445358 603054805 /nfs/dbraw/zinc/05/48/05/603054805.db2.gz RUWXULAGUOBCBL-ZJUUUORDSA-N -1 0 319.383 -0.344 20 0 DBADRM CC(C)(CC(=O)N1CCO[C@H](Cn2cncn2)C1)NC(=O)[O-] ZINC000738733815 603055056 /nfs/dbraw/zinc/05/50/56/603055056.db2.gz ZAPNXIWOKRYRSC-JTQLQIEISA-N -1 0 311.342 -0.058 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000740560973 603055881 /nfs/dbraw/zinc/05/58/81/603055881.db2.gz BHTUEIXOSBOEQJ-RBDZCENOSA-N -1 0 310.310 -0.767 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)[C@H]2CCCN2C(=O)[O-])CC1 ZINC000739731898 603056024 /nfs/dbraw/zinc/05/60/24/603056024.db2.gz REPHAAOWDBUQOM-LLVKDONJSA-N -1 0 312.370 -0.591 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000740005141 603056764 /nfs/dbraw/zinc/05/67/64/603056764.db2.gz KUNQYNDWSMDNIR-WIUDPPPLSA-N -1 0 317.411 -0.349 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000740340678 603061021 /nfs/dbraw/zinc/06/10/21/603061021.db2.gz ILWZFBYCYVFFKU-NEPJUHHUSA-N -1 0 320.349 -0.157 20 0 DBADRM NC(=O)Nc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000740334032 603065330 /nfs/dbraw/zinc/06/53/30/603065330.db2.gz XCLGACCXSZTRCO-GHMZBOCLSA-N -1 0 322.321 -0.093 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000740343453 603066756 /nfs/dbraw/zinc/06/67/56/603066756.db2.gz ZCLYMCZQZHKERZ-ZJUUUORDSA-N -1 0 300.311 -0.535 20 0 DBADRM NC(=O)c1cc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])ccc1F ZINC000740334531 603068121 /nfs/dbraw/zinc/06/81/21/603068121.db2.gz UKAYCMNFVUTIIR-OIBJUYFYSA-N -1 0 311.269 -0.024 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)CCNC(=O)[O-])C2=O)n(C)n1 ZINC000830072308 603069720 /nfs/dbraw/zinc/06/97/20/603069720.db2.gz CMMGNKYLXJIWFZ-VIFPVBQESA-N -1 0 309.326 -0.392 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)CCCNC(=O)[O-])C2=O)n(C)n1 ZINC000830072632 603069809 /nfs/dbraw/zinc/06/98/09/603069809.db2.gz HQDAXHAWUPXUMV-SNVBAGLBSA-N -1 0 323.353 -0.002 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)CCNC(=O)[O-])C2=O)n(C)n1 ZINC000830072307 603069939 /nfs/dbraw/zinc/06/99/39/603069939.db2.gz CMMGNKYLXJIWFZ-SECBINFHSA-N -1 0 309.326 -0.392 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCC(NC(=O)[O-])CC1 ZINC000739409613 603070684 /nfs/dbraw/zinc/07/06/84/603070684.db2.gz AEWZVMQZTHILIJ-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCC(=O)N1CCCCC1 ZINC000740420176 603071533 /nfs/dbraw/zinc/07/15/33/603071533.db2.gz YFJMRXFFUBENQQ-GHMZBOCLSA-N -1 0 313.354 -0.382 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739245454 603072057 /nfs/dbraw/zinc/07/20/57/603072057.db2.gz NDRYGUKAYYFAPF-GUBZILKMSA-N -1 0 301.343 -0.479 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCC(=O)Nc1ccccc1 ZINC000740380745 603072825 /nfs/dbraw/zinc/07/28/25/603072825.db2.gz ZELSRHALOMZHQB-QWRGUYRKSA-N -1 0 307.306 -0.146 20 0 DBADRM CS(=O)(=O)NCCC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739996399 603072908 /nfs/dbraw/zinc/07/29/08/603072908.db2.gz QKGPUQJYSBBCMT-UHFFFAOYSA-N -1 0 307.372 -0.379 20 0 DBADRM Cn1ccnc1C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000740299100 603073469 /nfs/dbraw/zinc/07/34/69/603073469.db2.gz ITUDTRXWHSPBEK-JTQLQIEISA-N -1 0 323.353 -0.344 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000740505180 603074518 /nfs/dbraw/zinc/07/45/18/603074518.db2.gz KJDXPDIUJZCPJS-NEPJUHHUSA-N -1 0 312.370 -0.145 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)NCCNC(=O)[O-])[C@H]1c1cccnc1 ZINC000739729121 603074878 /nfs/dbraw/zinc/07/48/78/603074878.db2.gz QRRZLHVGVHUDBF-ZYHUDNBSSA-N -1 0 306.322 -0.015 20 0 DBADRM O=C([O-])NC1CCC(NC(=O)CN2CCCS2(=O)=O)CC1 ZINC000740555885 603077138 /nfs/dbraw/zinc/07/71/38/603077138.db2.gz DKWMSLWCCMSKDA-UHFFFAOYSA-N -1 0 319.383 -0.283 20 0 DBADRM CN(CC(=O)OC(C)(C)C)C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739634082 603077439 /nfs/dbraw/zinc/07/74/39/603077439.db2.gz GFVQUFFZPWZCQB-DTWKUNHWSA-N -1 0 302.327 -0.100 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000740609587 603077592 /nfs/dbraw/zinc/07/75/92/603077592.db2.gz JCUWGHFEDBMJII-SCZZXKLOSA-N -1 0 319.383 -0.234 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CC(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000740733787 603077759 /nfs/dbraw/zinc/07/77/59/603077759.db2.gz ZQXLGOWXZRTYDF-OQPBUACISA-N -1 0 310.310 -0.671 20 0 DBADRM CCN(CC)C(=O)CCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739403596 603078327 /nfs/dbraw/zinc/07/83/27/603078327.db2.gz QIPJWHQPCGWILL-MNOVXSKESA-N -1 0 315.370 -0.136 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC1CN(C(=O)[O-])C1 ZINC000740034057 603080642 /nfs/dbraw/zinc/08/06/42/603080642.db2.gz VKVLGWDFBQGEBT-UHFFFAOYSA-N -1 0 305.294 -0.648 20 0 DBADRM Cc1cc(NC(=O)CN2CCN(CCNC(=O)[O-])CC2)no1 ZINC000740085144 603082744 /nfs/dbraw/zinc/08/27/44/603082744.db2.gz ZQPKTTYVZZQFHI-UHFFFAOYSA-N -1 0 311.342 -0.193 20 0 DBADRM CN(CC(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1)C(=O)[O-] ZINC000737385081 603082868 /nfs/dbraw/zinc/08/28/68/603082868.db2.gz NULLRIOSWQAITB-QMMMGPOBSA-N -1 0 309.326 -0.176 20 0 DBADRM COCCOC[C@H]1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000829001741 603083929 /nfs/dbraw/zinc/08/39/29/603083929.db2.gz DRMIVEPFWPDHII-RYUDHWBXSA-N -1 0 316.354 -0.123 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739616648 603085620 /nfs/dbraw/zinc/08/56/20/603085620.db2.gz JYEFCCFEGXKOBR-SECBINFHSA-N -1 0 307.372 -0.316 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)NCCN1C(=O)CCC1=O)C1CC1 ZINC000740608475 603087000 /nfs/dbraw/zinc/08/70/00/603087000.db2.gz AQBDXOCQDUOIPF-SECBINFHSA-N -1 0 312.326 -0.519 20 0 DBADRM COCCN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)C(=O)[O-] ZINC000739819962 603087745 /nfs/dbraw/zinc/08/77/45/603087745.db2.gz UXGBEXSZXVIGCI-LLVKDONJSA-N -1 0 308.356 -0.694 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000739199194 603089818 /nfs/dbraw/zinc/08/98/18/603089818.db2.gz FQCPQGPCULJUOQ-DJLDLDEBSA-N -1 0 315.326 -0.798 20 0 DBADRM C[S@@](=O)CCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000740007393 603096033 /nfs/dbraw/zinc/09/60/33/603096033.db2.gz VKIRFSINYPRMOB-HXUWFJFHSA-N -1 0 305.400 -0.445 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@](C)(CNC(=O)[O-])C1CC1 ZINC000739036296 603097428 /nfs/dbraw/zinc/09/74/28/603097428.db2.gz CJFRNRLILKJQPM-CPCISQLKSA-N -1 0 307.372 -0.523 20 0 DBADRM COCCN(CC(=O)N[C@H]1CCc2nc(C)nn2C1)C(=O)[O-] ZINC000739819388 603098547 /nfs/dbraw/zinc/09/85/47/603098547.db2.gz PPFWEUKADUBPJP-JTQLQIEISA-N -1 0 311.342 -0.356 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739189335 603098596 /nfs/dbraw/zinc/09/85/96/603098596.db2.gz LZXIWWALQINQBQ-DTWKUNHWSA-N -1 0 305.356 -0.433 20 0 DBADRM CCC(CC)(CNC(=O)[O-])NC(=O)[C@H](C)NS(C)(=O)=O ZINC000739249821 603098848 /nfs/dbraw/zinc/09/88/48/603098848.db2.gz MEWVQDPLQMOIQJ-QMMMGPOBSA-N -1 0 309.388 -0.133 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCCNc1ncccn1 ZINC000740428105 603099734 /nfs/dbraw/zinc/09/97/34/603099734.db2.gz LHIWERHPAOJYEJ-ZJUUUORDSA-N -1 0 309.326 -0.492 20 0 DBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)[C@H](C)NS(C)(=O)=O ZINC000739040453 603100299 /nfs/dbraw/zinc/10/02/99/603100299.db2.gz RGEJITUFIFAWMK-KWQFWETISA-N -1 0 309.388 -0.277 20 0 DBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)[C@H](C)NS(C)(=O)=O ZINC000739040449 603100322 /nfs/dbraw/zinc/10/03/22/603100322.db2.gz RGEJITUFIFAWMK-GZMMTYOYSA-N -1 0 309.388 -0.277 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)CCCNC(=O)[O-])CC2)[nH]1 ZINC000738856698 603100529 /nfs/dbraw/zinc/10/05/29/603100529.db2.gz CJWINDFFYAMPGS-UHFFFAOYSA-N -1 0 310.358 -0.195 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@@H]3CCCN3C(=O)[O-])CC2)[nH]1 ZINC000740218748 603100695 /nfs/dbraw/zinc/10/06/95/603100695.db2.gz LRBGHHOFCITPBI-NSHDSACASA-N -1 0 322.369 -0.100 20 0 DBADRM COCCN(CC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000739812026 603103639 /nfs/dbraw/zinc/10/36/39/603103639.db2.gz DLUHFMFFBUTSCB-VHSXEESVSA-N -1 0 324.399 -0.107 20 0 DBADRM CS(=O)(=O)Cc1noc(NC(=O)[C@H]2CCCN2C(=O)[O-])n1 ZINC000739985089 603104716 /nfs/dbraw/zinc/10/47/16/603104716.db2.gz HKBUVRKJLCXOCX-ZCFIWIBFSA-N -1 0 318.311 -0.305 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)CCN1CCCS1(=O)=O ZINC000832546598 603104970 /nfs/dbraw/zinc/10/49/70/603104970.db2.gz RHFWHKVBQRYEDJ-JTQLQIEISA-N -1 0 319.383 -0.329 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[O-])CC2)[C@@H](C)CO1 ZINC000826074298 603106623 /nfs/dbraw/zinc/10/66/23/603106623.db2.gz LBXOVJIMNVWURV-VHSXEESVSA-N -1 0 307.372 -0.364 20 0 DBADRM COCCN(CC(=O)N1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC000739823351 603106675 /nfs/dbraw/zinc/10/66/75/603106675.db2.gz SFINAXKPRCDCDZ-UHFFFAOYSA-N -1 0 323.353 -0.248 20 0 DBADRM COCCN1C[C@H](C(=O)N2CCC[C@@H]2CNC(=O)[O-])CC1=O ZINC000828984778 603106845 /nfs/dbraw/zinc/10/68/45/603106845.db2.gz IJKYVMIQLRRIEK-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCN1CCOCC1 ZINC000739202468 603107358 /nfs/dbraw/zinc/10/73/58/603107358.db2.gz OHJLOAAAHZSZGT-MNOVXSKESA-N -1 0 315.370 -0.062 20 0 DBADRM COCCN(CC(=O)N1CCC(CC(N)=O)CC1)C(=O)[O-] ZINC000739818066 603107505 /nfs/dbraw/zinc/10/75/05/603107505.db2.gz WSUJGWKUKPKNNK-UHFFFAOYSA-N -1 0 301.343 -0.273 20 0 DBADRM COCCN(CC(=O)NCCN1CCO[C@H](C)C1)C(=O)[O-] ZINC000739819231 603110748 /nfs/dbraw/zinc/11/07/48/603110748.db2.gz XJMGOVKCTPVRDH-LLVKDONJSA-N -1 0 303.359 -0.550 20 0 DBADRM CCN1C(=S)N=NC1CNC(=O)CN(CCOC)C(=O)[O-] ZINC000739565756 603111272 /nfs/dbraw/zinc/11/12/72/603111272.db2.gz XFNRULQPXVJCKI-UHFFFAOYSA-N -1 0 317.371 -0.171 20 0 DBADRM CC[C@H](C)NC(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739243384 603112327 /nfs/dbraw/zinc/11/23/27/603112327.db2.gz GLHWPTRMPUTETN-VIFPVBQESA-N -1 0 315.326 -0.734 20 0 DBADRM CNC(=O)[C@H]1CCCN(C(=O)CN(CCOC)C(=O)[O-])C1 ZINC000739740137 603113500 /nfs/dbraw/zinc/11/35/00/603113500.db2.gz WGLVLWVETAPNEI-JTQLQIEISA-N -1 0 301.343 -0.403 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000829675600 603116274 /nfs/dbraw/zinc/11/62/74/603116274.db2.gz ZTCHGHLBQNFUNC-QMMMGPOBSA-N -1 0 314.385 -0.907 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000740611522 603122242 /nfs/dbraw/zinc/12/22/42/603122242.db2.gz KANFXIZTQLGDNT-RKDXNWHRSA-N -1 0 305.356 -0.481 20 0 DBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)CN1C(=O)CN(C)C1=O ZINC000738769213 603122668 /nfs/dbraw/zinc/12/26/68/603122668.db2.gz DIXCJXFOIRIWQY-ZDUSSCGKSA-N -1 0 314.342 -0.321 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])n1 ZINC000739617225 603127708 /nfs/dbraw/zinc/12/77/08/603127708.db2.gz DJJGUVYVQVUODG-HTQZYQBOSA-N -1 0 324.341 -0.001 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)OCC(=O)NC(=O)NC1CC1 ZINC000740576578 603128422 /nfs/dbraw/zinc/12/84/22/603128422.db2.gz AVEAXISDNFESOZ-IUCAKERBSA-N -1 0 313.310 -0.046 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)OCC(=O)NC(=O)NC1CC1 ZINC000740576572 603128502 /nfs/dbraw/zinc/12/85/02/603128502.db2.gz AVEAXISDNFESOZ-DTWKUNHWSA-N -1 0 313.310 -0.046 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N[C@H](CNC(=O)[O-])C2CC2)CCO1 ZINC000739757527 603133221 /nfs/dbraw/zinc/13/32/21/603133221.db2.gz YMGOIRJZYOQKNO-NXEZZACHSA-N -1 0 315.326 -0.384 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](CNC(=O)[O-])C2CC2)CCO1 ZINC000739757535 603133516 /nfs/dbraw/zinc/13/35/16/603133516.db2.gz YMGOIRJZYOQKNO-ZJUUUORDSA-N -1 0 315.326 -0.384 20 0 DBADRM CNC(=O)c1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000739744633 603134024 /nfs/dbraw/zinc/13/40/24/603134024.db2.gz HCKTWLYJRWXFRR-VXGBXAGGSA-N -1 0 321.333 -0.224 20 0 DBADRM CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cn1 ZINC000739616423 603134106 /nfs/dbraw/zinc/13/41/06/603134106.db2.gz CBMINTKVLBBMLP-MNOVXSKESA-N -1 0 308.338 -0.123 20 0 DBADRM CN(C(=O)N[C@@H](CNC(=O)[O-])C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000739574951 603134528 /nfs/dbraw/zinc/13/45/28/603134528.db2.gz DHQKSNGLCITUAL-UWVGGRQHSA-N -1 0 319.383 -0.139 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N[C@@H](CNC(=O)[O-])C2CC2)cn1 ZINC000740233426 603139243 /nfs/dbraw/zinc/13/92/43/603139243.db2.gz VKFDPIJBVMJBNB-JTQLQIEISA-N -1 0 307.310 -0.114 20 0 DBADRM CCCCn1nnnc1COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739346300 603148309 /nfs/dbraw/zinc/14/83/09/603148309.db2.gz BEIUWAGTQWJNRV-RKDXNWHRSA-N -1 0 313.314 -0.370 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)OCC(=O)N1CCOCC1 ZINC000740720810 603151044 /nfs/dbraw/zinc/15/10/44/603151044.db2.gz JUQNNHYYDXDBCF-MRVPVSSYSA-N -1 0 304.324 -0.559 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC000828218654 603154080 /nfs/dbraw/zinc/15/40/80/603154080.db2.gz RDJLHSMLGZGYAT-MRVPVSSYSA-N -1 0 310.310 -0.300 20 0 DBADRM CC1CCN(C(=O)COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739114262 603159339 /nfs/dbraw/zinc/15/93/39/603159339.db2.gz VJHQEGTYJBJVTF-MNOVXSKESA-N -1 0 314.338 -0.099 20 0 DBADRM Cn1c(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])nnc1C1CC1 ZINC000740281965 603159916 /nfs/dbraw/zinc/15/99/16/603159916.db2.gz LRCXTAYSSUIVDJ-IUCAKERBSA-N -1 0 310.310 -0.151 20 0 DBADRM NC(=O)c1cccc(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000740334706 603161753 /nfs/dbraw/zinc/16/17/53/603161753.db2.gz ARPNFEJAIFNEBK-MNOVXSKESA-N -1 0 308.290 -0.058 20 0 DBADRM CC(C)(CC(=O)O[C@H]1CC(=O)N(CC(N)=O)C1)NC(=O)[O-] ZINC000738739748 603162261 /nfs/dbraw/zinc/16/22/61/603162261.db2.gz XLJYOWBQCYPWKL-ZETCQYMHSA-N -1 0 301.299 -0.948 20 0 DBADRM COCCN(CC(=O)OCC(=O)N1CCO[C@@H](C)C1)C(=O)[O-] ZINC000739827535 603162434 /nfs/dbraw/zinc/16/24/34/603162434.db2.gz GDQXDJNAIGYJGX-JTQLQIEISA-N -1 0 318.326 -0.597 20 0 DBADRM CN(C)C(=O)CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739595984 603164093 /nfs/dbraw/zinc/16/40/93/603164093.db2.gz IBMCYFZEHAWAQQ-UHFFFAOYSA-N -1 0 300.359 -0.735 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739460241 603164254 /nfs/dbraw/zinc/16/42/54/603164254.db2.gz HNTVVSTUTJZHPK-JTQLQIEISA-N -1 0 314.386 -0.299 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000739522464 603181660 /nfs/dbraw/zinc/18/16/60/603181660.db2.gz ASERWFXQWXMHBP-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000739522463 603181919 /nfs/dbraw/zinc/18/19/19/603181919.db2.gz ASERWFXQWXMHBP-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000738444129 603184948 /nfs/dbraw/zinc/18/49/48/603184948.db2.gz AMTMYYYMGHUAQC-NXEZZACHSA-N -1 0 319.383 -0.344 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N(C)CCCNC(=O)[O-] ZINC000738799339 603187148 /nfs/dbraw/zinc/18/71/48/603187148.db2.gz ZWQRHWDRQMJTDT-VIFPVBQESA-N -1 0 309.388 -0.324 20 0 DBADRM CCOC(=O)C1(O)CCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000739468870 603187927 /nfs/dbraw/zinc/18/79/27/603187927.db2.gz SLAKQHIFKGBADJ-UHFFFAOYSA-N -1 0 302.327 -0.051 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739517421 603189408 /nfs/dbraw/zinc/18/94/08/603189408.db2.gz XDGOUSKEBATDRI-VHSXEESVSA-N -1 0 321.399 -0.132 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCc1nnc2n1CCCC2 ZINC000740452769 603190409 /nfs/dbraw/zinc/19/04/09/603190409.db2.gz QSLPZNWDUNRSNX-RKDXNWHRSA-N -1 0 309.326 -0.656 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC000739010796 603195558 /nfs/dbraw/zinc/19/55/58/603195558.db2.gz XMYPJZYLCLWLHU-BDAKNGLRSA-N -1 0 312.326 -0.425 20 0 DBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)CN1CC(=O)NC1=O ZINC000738773554 603198165 /nfs/dbraw/zinc/19/81/65/603198165.db2.gz SQHSHBXGNQLWMT-LBPRGKRZSA-N -1 0 300.315 -0.663 20 0 DBADRM Cc1nn(C)c(C)c1CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000830853560 603202573 /nfs/dbraw/zinc/20/25/73/603202573.db2.gz YMIXAZBVAQBYJR-UHFFFAOYSA-N -1 0 323.353 -0.525 20 0 DBADRM CN(CC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000828120640 603205130 /nfs/dbraw/zinc/20/51/30/603205130.db2.gz SWHYYTCNXVGLLW-MRVPVSSYSA-N -1 0 316.339 -0.209 20 0 DBADRM O=C([O-])NCCC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000832599708 603205728 /nfs/dbraw/zinc/20/57/28/603205728.db2.gz YGOJSDYQWXIFDL-QMMMGPOBSA-N -1 0 316.339 -0.161 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)CCNC(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825794248 603206616 /nfs/dbraw/zinc/20/66/16/603206616.db2.gz ICHFWMVPQUOULB-PSASIEDQSA-N -1 0 309.326 -0.312 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)C1=O ZINC000739073435 603208503 /nfs/dbraw/zinc/20/85/03/603208503.db2.gz GJONBDJLXJTBMN-MRVPVSSYSA-N -1 0 312.326 -0.425 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@@H]2CCCCN2C(=O)[O-])n[nH]1 ZINC000739768809 603208768 /nfs/dbraw/zinc/20/87/68/603208768.db2.gz SOZCEKGOMBRNRN-ZETCQYMHSA-N -1 0 311.298 -0.009 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CS(C)(=O)=O ZINC000739200298 603212799 /nfs/dbraw/zinc/21/27/99/603212799.db2.gz AIFFCMRZEUUSKN-JGVFFNPUSA-N -1 0 308.356 -0.349 20 0 DBADRM C[C@H](NC(N)=O)C(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739032192 603218364 /nfs/dbraw/zinc/21/83/64/603218364.db2.gz JZCSMAJSAAHVOO-BIIVOSGPSA-N -1 0 302.331 -0.337 20 0 DBADRM COC[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C(C)C ZINC000739813680 603222239 /nfs/dbraw/zinc/22/22/39/603222239.db2.gz VLEQFMVYKCSPNO-SNVBAGLBSA-N -1 0 301.343 -0.404 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@H]3CCN(C(=O)[O-])C3)C2)C1=O ZINC000739730429 603236798 /nfs/dbraw/zinc/23/67/98/603236798.db2.gz URGAXEXAMZHRBI-SDBXPKJASA-N -1 0 310.310 -0.861 20 0 DBADRM C[C@H]1CN(S(=O)(=O)NC(C)(C)CNC(=O)[O-])C[C@H](C)O1 ZINC000739196138 603237224 /nfs/dbraw/zinc/23/72/24/603237224.db2.gz VEYNDHVTRCXAAY-IUCAKERBSA-N -1 0 309.388 -0.024 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739994579 603237379 /nfs/dbraw/zinc/23/73/79/603237379.db2.gz JODCHMMIGDPVCO-NXEZZACHSA-N -1 0 321.399 -0.132 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)CCCN1C(=O)CNC1=O ZINC000739671881 603238913 /nfs/dbraw/zinc/23/89/13/603238913.db2.gz FGEKBYIROYUMCW-UHFFFAOYSA-N -1 0 300.315 -0.566 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739597175 603265660 /nfs/dbraw/zinc/26/56/60/603265660.db2.gz XUFKPEPCDRIHMP-NSHDSACASA-N -1 0 312.370 -0.781 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739520433 603277188 /nfs/dbraw/zinc/27/71/88/603277188.db2.gz YEUSPFYQQYLPGG-SNVBAGLBSA-N -1 0 321.399 -0.226 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000827475653 603278786 /nfs/dbraw/zinc/27/87/86/603278786.db2.gz MVBBSONATHXNAL-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000739678459 603281087 /nfs/dbraw/zinc/28/10/87/603281087.db2.gz RYUDHJOPOWRIDE-SECBINFHSA-N -1 0 307.372 -0.280 20 0 DBADRM CSC[C@H](C)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740000077 603283574 /nfs/dbraw/zinc/28/35/74/603283574.db2.gz RUHHHSBFYROVKR-VIFPVBQESA-N -1 0 318.399 -0.141 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000739983585 603288115 /nfs/dbraw/zinc/28/81/15/603288115.db2.gz BJRZBBXUHNAXOF-UWVGGRQHSA-N -1 0 319.383 -0.474 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)[C@@H](C)NC(=O)[O-])cn1 ZINC000739833217 603291520 /nfs/dbraw/zinc/29/15/20/603291520.db2.gz VWNUFRKFPRHESB-MRVPVSSYSA-N -1 0 313.314 -0.760 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000829688710 603292848 /nfs/dbraw/zinc/29/28/48/603292848.db2.gz USEYDNIXCWUHEB-UHFFFAOYSA-N -1 0 319.339 -0.284 20 0 DBADRM CC(C)N(CCC(=O)N1CC[C@@]2(C1)NC(=O)NC2=O)C(=O)[O-] ZINC000738839182 603298771 /nfs/dbraw/zinc/29/87/71/603298771.db2.gz YATTYNFNZNZKSO-ZDUSSCGKSA-N -1 0 312.326 -0.425 20 0 DBADRM O=C([O-])N1CCCC[C@H]1C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000740732136 603299849 /nfs/dbraw/zinc/29/98/49/603299849.db2.gz HAODDMGIFUSMMF-ISVAXAHUSA-N -1 0 310.310 -0.671 20 0 DBADRM O=C([O-])N1CCC(CC(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC000740731768 603299982 /nfs/dbraw/zinc/29/99/82/603299982.db2.gz GPHUPVJCAHJZAF-AWEZNQCLSA-N -1 0 324.337 -0.423 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NC[C@H](O)C2CCOCC2)C1 ZINC000740406440 603308280 /nfs/dbraw/zinc/30/82/80/603308280.db2.gz XIHIDXGZHKITDV-QWRGUYRKSA-N -1 0 301.343 -0.175 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000739751247 603314802 /nfs/dbraw/zinc/31/48/02/603314802.db2.gz SCNYQOICSVCNDU-ZJUUUORDSA-N -1 0 319.383 -0.474 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000827242289 603317011 /nfs/dbraw/zinc/31/70/11/603317011.db2.gz OONNAXDPODJCEW-NSHDSACASA-N -1 0 314.386 -0.297 20 0 DBADRM CS(=O)(=O)Cc1noc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)n1 ZINC000739984285 603318788 /nfs/dbraw/zinc/31/87/88/603318788.db2.gz DISDKBBZLGZYTD-LURJTMIESA-N -1 0 318.311 -0.447 20 0 DBADRM C[C@H](CC(=O)Nc1cccc(C(=O)NCC(N)=O)c1)NC(=O)[O-] ZINC000824696474 603325823 /nfs/dbraw/zinc/32/58/23/603325823.db2.gz SXRCVAMOZDNBAN-MRVPVSSYSA-N -1 0 322.321 -0.114 20 0 DBADRM C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1NC(=O)[O-] ZINC000739134006 603349141 /nfs/dbraw/zinc/34/91/41/603349141.db2.gz LLSRCOYSXZIZOE-RKDXNWHRSA-N -1 0 312.326 -0.615 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CCN(C(=O)[O-])[C@H](C)C2)CC1 ZINC000738524880 603356027 /nfs/dbraw/zinc/35/60/27/603356027.db2.gz QSZIQGHGEQWQDT-LLVKDONJSA-N -1 0 312.370 -0.639 20 0 DBADRM C[C@@H](NC(=O)CN1CCN(C(=O)[O-])[C@@H](C)C1)C(=O)N(C)C ZINC000738961206 603357362 /nfs/dbraw/zinc/35/73/62/603357362.db2.gz KXMVLMDMMKHZBS-VHSXEESVSA-N -1 0 300.359 -0.737 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000739808486 603362727 /nfs/dbraw/zinc/36/27/27/603362727.db2.gz TZAJLKKEIRPQKV-UWVGGRQHSA-N -1 0 316.358 -0.469 20 0 DBADRM C[C@H]1CN(C(=S)NCCNS(C)(=O)=O)CCN1C(=O)[O-] ZINC000739171867 603375378 /nfs/dbraw/zinc/37/53/78/603375378.db2.gz HTRDFGBFYLJWJX-QMMMGPOBSA-N -1 0 324.428 -0.906 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739464131 603385060 /nfs/dbraw/zinc/38/50/60/603385060.db2.gz YQFOQGADYIISJH-ZJUUUORDSA-N -1 0 301.343 -0.214 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])N[C@H]1CCS(=O)(=O)C1 ZINC000740363681 603387038 /nfs/dbraw/zinc/38/70/38/603387038.db2.gz KCCBNNLOFNGQRS-VHSXEESVSA-N -1 0 320.367 -0.551 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)n1 ZINC000739781267 603393320 /nfs/dbraw/zinc/39/33/20/603393320.db2.gz UESDQSDDOULIEW-VHSXEESVSA-N -1 0 324.337 -0.035 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC[C@@H](NC(=O)[O-])C2)n(C)n1 ZINC000738234130 603396118 /nfs/dbraw/zinc/39/61/18/603396118.db2.gz HFBZRRMSLGTMFK-SECBINFHSA-N -1 0 309.326 -0.074 20 0 DBADRM CS(=O)(=O)CCNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739985684 603399228 /nfs/dbraw/zinc/39/92/28/603399228.db2.gz XRQDGEMKIAPSJM-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM Cc1ccncc1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740194157 603401140 /nfs/dbraw/zinc/40/11/40/603401140.db2.gz BFMODFDSGXGYRI-UHFFFAOYSA-N -1 0 306.322 -0.058 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCN(C(=O)[O-])C2CC2)n(C)n1 ZINC000740080773 603410202 /nfs/dbraw/zinc/41/02/02/603410202.db2.gz VTYXRPXQEMLYFT-UHFFFAOYSA-N -1 0 309.326 -0.074 20 0 DBADRM CC(C)[C@@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)NC(=O)[O-] ZINC000738777493 603413635 /nfs/dbraw/zinc/41/36/35/603413635.db2.gz MZPRKNNPSXXJIW-ZJUUUORDSA-N -1 0 321.399 -0.181 20 0 DBADRM Cc1ncc(NC(=O)C(=O)NC[C@H]2CCCN2C(=O)[O-])cn1 ZINC000740234053 603417226 /nfs/dbraw/zinc/41/72/26/603417226.db2.gz ZLXFUDOBEUJJBF-SNVBAGLBSA-N -1 0 307.310 -0.018 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)[O-])n(C)n1 ZINC000740077996 603417252 /nfs/dbraw/zinc/41/72/52/603417252.db2.gz CNOVGUNBHGRXSX-VIFPVBQESA-N -1 0 309.326 -0.074 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000827313986 603419159 /nfs/dbraw/zinc/41/91/59/603419159.db2.gz XAJCLXATCGODQQ-SECBINFHSA-N -1 0 315.326 -0.604 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000738951108 603420020 /nfs/dbraw/zinc/42/00/20/603420020.db2.gz PBZYZFFMFZQQFX-NXEZZACHSA-N -1 0 322.383 -0.305 20 0 DBADRM CCN(CC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)C(=O)[O-] ZINC000739387067 603426227 /nfs/dbraw/zinc/42/62/27/603426227.db2.gz RMKPFPGZWGFLPF-UHFFFAOYSA-N -1 0 321.399 -0.131 20 0 DBADRM CN(C(=O)CN(C[C@H]1CCCO1)C(=O)[O-])[C@H]1CCN(C)C1=O ZINC000739733797 603427247 /nfs/dbraw/zinc/42/72/47/603427247.db2.gz WCYDVWRFHZXWCW-MNOVXSKESA-N -1 0 313.354 -0.166 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])n1 ZINC000739599429 603434683 /nfs/dbraw/zinc/43/46/83/603434683.db2.gz JFMOPCNFTAQZJI-RKDXNWHRSA-N -1 0 324.341 -0.259 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C(F)(F)C(F)F)CC1 ZINC000832018397 603436890 /nfs/dbraw/zinc/43/68/90/603436890.db2.gz JDDMVWWNAXRPGK-UHFFFAOYSA-N -1 0 315.223 -0.175 20 0 DBADRM NC(=O)CN1CCC(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000831189512 603441065 /nfs/dbraw/zinc/44/10/65/603441065.db2.gz ABPYQOJCNZUVEW-GXSJLCMTSA-N -1 0 312.370 -0.511 20 0 DBADRM COC(=O)[C@@]1(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)CCOC1 ZINC000828623753 603441579 /nfs/dbraw/zinc/44/15/79/603441579.db2.gz GDVOFARJBLQFLB-TVQRCGJNSA-N -1 0 300.311 -0.175 20 0 DBADRM COC(=O)[C@@]1(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCOC1 ZINC000828624126 603441830 /nfs/dbraw/zinc/44/18/30/603441830.db2.gz LFYIAFBWQZWBKK-NWDGAFQWSA-N -1 0 304.274 -0.473 20 0 DBADRM COC(=O)[C@]1(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CCOC1 ZINC000828624154 603441781 /nfs/dbraw/zinc/44/17/81/603441781.db2.gz LMEGCMADFWNXBO-RVBZMBCESA-N -1 0 300.311 -0.129 20 0 DBADRM COC(=O)c1cn(CC(=O)NC2CCN(C(=O)[O-])CC2)nn1 ZINC000828803741 603442413 /nfs/dbraw/zinc/44/24/13/603442413.db2.gz FVJGTIHUXSOIRJ-UHFFFAOYSA-N -1 0 311.298 -0.677 20 0 DBADRM CN(CC1CC1)C(=O)COC(=O)COC1CN(C(=O)[O-])C1 ZINC000828168589 603442976 /nfs/dbraw/zinc/44/29/76/603442976.db2.gz JXMFHNWVRPBCOY-UHFFFAOYSA-N -1 0 300.311 -0.223 20 0 DBADRM COCC(=O)N1CCN(C(=O)NCC(C)(C)NC(=O)[O-])CC1 ZINC000828880775 603444926 /nfs/dbraw/zinc/44/49/26/603444926.db2.gz OOHSRLMJLOEXJD-UHFFFAOYSA-N -1 0 316.358 -0.467 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000824958483 603445679 /nfs/dbraw/zinc/44/56/79/603445679.db2.gz ABMSNKIYGCAFCP-BDAKNGLRSA-N -1 0 309.326 -0.123 20 0 DBADRM CC(C)(CNC(=O)N1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000823924578 603447690 /nfs/dbraw/zinc/44/76/90/603447690.db2.gz QFZOTZOKKCFEHV-UHFFFAOYSA-N -1 0 322.387 -0.681 20 0 DBADRM O=C(COC(=O)COC1CN(C(=O)[O-])C1)NC[C@H]1CCCO1 ZINC000831508032 603449715 /nfs/dbraw/zinc/44/97/15/603449715.db2.gz UWDGDCMGHFJSJL-SECBINFHSA-N -1 0 316.310 -0.796 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCN(CCn2cncn2)CC1 ZINC000826750174 603450366 /nfs/dbraw/zinc/45/03/66/603450366.db2.gz GYWBZJUSKWERRQ-GFCCVEGCSA-N -1 0 324.385 -0.141 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827474986 603467476 /nfs/dbraw/zinc/46/74/76/603467476.db2.gz CFGAPYMMUWQNIX-DTWKUNHWSA-N -1 0 307.372 -0.522 20 0 DBADRM O=C([O-])N1CC(OCC(=O)NC[C@H](O)COc2ccccc2)C1 ZINC000831529635 603471394 /nfs/dbraw/zinc/47/13/94/603471394.db2.gz OISZRIXYKPDQTD-NSHDSACASA-N -1 0 324.333 -0.079 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCC[C@@H](NC(=O)[O-])C2)nn1 ZINC000828804719 603478700 /nfs/dbraw/zinc/47/87/00/603478700.db2.gz POIBNZNOEPNIDL-MRVPVSSYSA-N -1 0 311.298 -0.677 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCC[C@H](NC(=O)[O-])C2)nn1 ZINC000828804721 603478839 /nfs/dbraw/zinc/47/88/39/603478839.db2.gz POIBNZNOEPNIDL-QMMMGPOBSA-N -1 0 311.298 -0.677 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000831190141 603484349 /nfs/dbraw/zinc/48/43/49/603484349.db2.gz NQDWPRPKPOSTPQ-WDEREUQCSA-N -1 0 312.370 -0.558 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000828881338 603488203 /nfs/dbraw/zinc/48/82/03/603488203.db2.gz XBSGADWMYPRWDB-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H](CCCO)NC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000824779340 603494767 /nfs/dbraw/zinc/49/47/67/603494767.db2.gz XTDGMDFDLCNTEM-LLVKDONJSA-N -1 0 302.375 -0.258 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000827312813 603500421 /nfs/dbraw/zinc/50/04/21/603500421.db2.gz JWMXSJOYTYNRHR-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 ZINC000827836261 603507765 /nfs/dbraw/zinc/50/77/65/603507765.db2.gz XGWWQSJQTJNRTI-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)CC2SC(=N)NC2=O)C1 ZINC000827836076 603509715 /nfs/dbraw/zinc/50/97/15/603509715.db2.gz UJZQTGFBGPUARO-RQJHMYQMSA-N -1 0 300.340 -0.246 20 0 DBADRM CN1CCN(C(=O)COC[C@@H]2CCCO2)[C@H](CNC(=O)[O-])C1 ZINC000828500199 603510242 /nfs/dbraw/zinc/51/02/42/603510242.db2.gz GWMIGZKNTQBSPW-NEPJUHHUSA-N -1 0 315.370 -0.408 20 0 DBADRM CCN(CC1CCN(CC(=O)NCC(=O)OC)CC1)C(=O)[O-] ZINC000827093369 603512931 /nfs/dbraw/zinc/51/29/31/603512931.db2.gz OISYWPUKUQLLAY-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM CN(CC(=O)O[C@H]1CCC[C@H]1CNC(=O)[O-])S(C)(=O)=O ZINC000828120552 603515124 /nfs/dbraw/zinc/51/51/24/603515124.db2.gz RCKWWHCXBUGNTH-IUCAKERBSA-N -1 0 308.356 -0.143 20 0 DBADRM CC(C)(CC(=O)N1CCC[C@H](S(N)(=O)=O)C1)NC(=O)[O-] ZINC000823881069 603524361 /nfs/dbraw/zinc/52/43/61/603524361.db2.gz AMBMQTMHVJJAQP-QMMMGPOBSA-N -1 0 307.372 -0.298 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000829018615 603525564 /nfs/dbraw/zinc/52/55/64/603525564.db2.gz SEQKDPWJQLDXJJ-SECBINFHSA-N -1 0 308.356 -0.742 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000827836246 603528596 /nfs/dbraw/zinc/52/85/96/603528596.db2.gz WZCHOBWGSGMEFS-ZJUUUORDSA-N -1 0 321.337 -0.027 20 0 DBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)c2ncccn2)C1 ZINC000832647811 603534543 /nfs/dbraw/zinc/53/45/43/603534543.db2.gz OCEKVEKRHVSVNZ-SNVBAGLBSA-N -1 0 321.337 -0.287 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827476525 603535696 /nfs/dbraw/zinc/53/56/96/603535696.db2.gz ZWMOXCFCDVPQQS-ZJUUUORDSA-N -1 0 321.399 -0.132 20 0 DBADRM COCCCS(=O)(=O)NCCN1CCC[C@@H](NC(=O)[O-])C1 ZINC000828964067 603539740 /nfs/dbraw/zinc/53/97/40/603539740.db2.gz JZNGELUZTMKSKY-LLVKDONJSA-N -1 0 323.415 -0.326 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@H]3CC[C@@H](NC(=O)[O-])C3)C2)C1=O ZINC000828445779 603543078 /nfs/dbraw/zinc/54/30/78/603543078.db2.gz OMSLWICHQFBZNI-QIBSRJKCSA-N -1 0 324.337 -0.425 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000824960910 603546522 /nfs/dbraw/zinc/54/65/22/603546522.db2.gz WTPRCPRXRVKZDL-ZJUUUORDSA-N -1 0 321.399 -0.780 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000827840704 603550701 /nfs/dbraw/zinc/55/07/01/603550701.db2.gz DQTWMQHEVYQFGU-MRVPVSSYSA-N -1 0 312.326 -0.473 20 0 DBADRM CN(CC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)C(=O)[O-] ZINC000828091029 603552202 /nfs/dbraw/zinc/55/22/02/603552202.db2.gz UMAHYTDVYUMUQY-CYBMUJFWSA-N -1 0 312.326 -0.567 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)NCCCNC(=O)[O-])n1 ZINC000827976748 603554318 /nfs/dbraw/zinc/55/43/18/603554318.db2.gz ZEMDKMVYUHULFF-UHFFFAOYSA-N -1 0 313.318 -0.855 20 0 DBADRM Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000830800242 603559388 /nfs/dbraw/zinc/55/93/88/603559388.db2.gz WGDJZCXJDZSEIS-GUBZILKMSA-N -1 0 309.326 -0.349 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000824823185 603560257 /nfs/dbraw/zinc/56/02/57/603560257.db2.gz DXBOIIJIFRTDFJ-NWDGAFQWSA-N -1 0 317.386 -0.616 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000826744615 603560798 /nfs/dbraw/zinc/56/07/98/603560798.db2.gz QNACYZBULRLSTK-NEPJUHHUSA-N -1 0 317.386 -0.426 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000826744616 603560961 /nfs/dbraw/zinc/56/09/61/603560961.db2.gz QNACYZBULRLSTK-NWDGAFQWSA-N -1 0 317.386 -0.426 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000828162608 603561756 /nfs/dbraw/zinc/56/17/56/603561756.db2.gz PBZMLZFVPFZJHR-NEPJUHHUSA-N -1 0 315.370 -0.720 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000823560717 603562249 /nfs/dbraw/zinc/56/22/49/603562249.db2.gz FORJBWCQTZEDMA-UHFFFAOYSA-N -1 0 312.370 -0.733 20 0 DBADRM O=C(CC1CN(C(=O)[O-])C1)NCCN1C(=O)CSC1=O ZINC000831360925 603565707 /nfs/dbraw/zinc/56/57/07/603565707.db2.gz QTPBGMYNBNUKFM-UHFFFAOYSA-N -1 0 301.324 -0.202 20 0 DBADRM CNS(=O)(=O)CC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000828578714 603566419 /nfs/dbraw/zinc/56/64/19/603566419.db2.gz CQFTVLVHBLCHFC-UHFFFAOYSA-N -1 0 301.324 -0.058 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCC(c2nnc[nH]2)CC1 ZINC000831283499 603566470 /nfs/dbraw/zinc/56/64/70/603566470.db2.gz NZUAQCDNBYBYLE-JTQLQIEISA-N -1 0 309.326 -0.111 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CCO1 ZINC000828638352 603566540 /nfs/dbraw/zinc/56/65/40/603566540.db2.gz ABZICPHIVBJPDV-GUBZILKMSA-N -1 0 300.311 -0.177 20 0 DBADRM C=CC(=O)NCCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000823486474 603572366 /nfs/dbraw/zinc/57/23/66/603572366.db2.gz WUCLQIDJMVGYAC-UHFFFAOYSA-N -1 0 312.370 -0.521 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000823833224 603575902 /nfs/dbraw/zinc/57/59/02/603575902.db2.gz MJSOEZNODIROCI-DTWKUNHWSA-N -1 0 322.383 -0.571 20 0 DBADRM CO[C@H](C)c1noc(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])n1 ZINC000828835613 603583016 /nfs/dbraw/zinc/58/30/16/603583016.db2.gz FIYMDVBQFZNQAN-PRJMDXOYSA-N -1 0 315.282 -0.067 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000828578734 603584872 /nfs/dbraw/zinc/58/48/72/603584872.db2.gz CUPCVUOYLJQCHJ-UWVGGRQHSA-N -1 0 321.399 -0.228 20 0 DBADRM O=C([O-])N[C@H]1CC[C@H](C(=O)NCCCN2C(=O)CNC2=O)C1 ZINC000832261406 603585872 /nfs/dbraw/zinc/58/58/72/603585872.db2.gz DUWWIONSIKYPKM-IUCAKERBSA-N -1 0 312.326 -0.519 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827264574 603586420 /nfs/dbraw/zinc/58/64/20/603586420.db2.gz BQXPMMUMQGGKSE-DTWKUNHWSA-N -1 0 307.372 -0.522 20 0 DBADRM COC(=O)[C@@H]1CCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000828640141 603586527 /nfs/dbraw/zinc/58/65/27/603586527.db2.gz JSUGSSDJQCCHQK-SNVBAGLBSA-N -1 0 311.338 -0.349 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)NS(C)(=O)=O ZINC000823900151 603588056 /nfs/dbraw/zinc/58/80/56/603588056.db2.gz CKCATSJUCZDCTC-IUCAKERBSA-N -1 0 321.399 -0.133 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828572726 603591440 /nfs/dbraw/zinc/59/14/40/603591440.db2.gz HHNPHYUJJCKPFI-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000828572336 603591926 /nfs/dbraw/zinc/59/19/26/603591926.db2.gz BNTJRODSPBBTFZ-RKDXNWHRSA-N -1 0 307.372 -0.427 20 0 DBADRM CCCN(C(=O)CS(=O)(=O)NC)[C@H]1CCN(C(=O)[O-])C1 ZINC000826862391 603593285 /nfs/dbraw/zinc/59/32/85/603593285.db2.gz GMYACTIDGXJWLO-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN(C)[C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000828921190 603594477 /nfs/dbraw/zinc/59/44/77/603594477.db2.gz ZUEJYSNNHIPRBD-TVQRCGJNSA-N -1 0 314.342 -0.415 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NC2(CNC(=O)[O-])CCCC2)c1=O ZINC000830963045 603594743 /nfs/dbraw/zinc/59/47/43/603594743.db2.gz FJEOETGSQUDFEB-UHFFFAOYSA-N -1 0 310.310 -0.204 20 0 DBADRM C[C@H](OC(=O)c1cn(CC(N)=O)nn1)[C@H]1CCCN1C(=O)[O-] ZINC000825610463 603594872 /nfs/dbraw/zinc/59/48/72/603594872.db2.gz HEWTVYWWENECDG-IONNQARKSA-N -1 0 311.298 -0.549 20 0 DBADRM CCNC(=O)CN(C)CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O ZINC000827242245 603600273 /nfs/dbraw/zinc/60/02/73/603600273.db2.gz NCGOSGGVNADLJP-SNVBAGLBSA-N -1 0 313.358 -0.888 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000831245740 603615767 /nfs/dbraw/zinc/61/57/67/603615767.db2.gz MBSWVRZUWVNXHG-GUBZILKMSA-N -1 0 319.383 -0.298 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NCCNS(C)(=O)=O ZINC000824196743 603619386 /nfs/dbraw/zinc/61/93/86/603619386.db2.gz MXRDMYJWDRFQBB-VIFPVBQESA-N -1 0 324.403 -0.483 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000823957171 603622382 /nfs/dbraw/zinc/62/23/82/603622382.db2.gz XICXQMOMHDWYFN-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)C2(NC(=O)[O-])CCCC2)C1 ZINC000831239608 603622845 /nfs/dbraw/zinc/62/28/45/603622845.db2.gz IOZTZSCIJBUCPV-VIFPVBQESA-N -1 0 319.383 -0.154 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)C1 ZINC000829688978 603628358 /nfs/dbraw/zinc/62/83/58/603628358.db2.gz YRSAIEHTSYZTDV-KXUCPTDWSA-N -1 0 319.383 -0.427 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000827475424 603629974 /nfs/dbraw/zinc/62/99/74/603629974.db2.gz JHYFHWZSIPJCRA-UHFFFAOYSA-N -1 0 321.399 -0.130 20 0 DBADRM COCCN(CC(=O)N1CCc2nn(C)c(=O)cc2C1)C(=O)[O-] ZINC000828970664 603640048 /nfs/dbraw/zinc/64/00/48/603640048.db2.gz CLBGOLLYWLENJV-UHFFFAOYSA-N -1 0 324.337 -0.709 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)[C@@H]1CSCN1C(=O)[O-])CC2 ZINC000831050110 603640055 /nfs/dbraw/zinc/64/00/55/603640055.db2.gz HNTRRCRAMWKIMS-JTQLQIEISA-N -1 0 324.362 -0.282 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000831778186 603640611 /nfs/dbraw/zinc/64/06/11/603640611.db2.gz MFFSSJKBSRXPLR-MNOVXSKESA-N -1 0 318.293 -0.286 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000823950400 603641664 /nfs/dbraw/zinc/64/16/64/603641664.db2.gz BKXBDTCVHCXAJD-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCc1nnc2n1CCCCC2 ZINC000831730829 603644445 /nfs/dbraw/zinc/64/44/45/603644445.db2.gz NUJSQVQPSSSULK-UWVGGRQHSA-N -1 0 323.353 -0.266 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000829683396 603646094 /nfs/dbraw/zinc/64/60/94/603646094.db2.gz QUYOATIUKQGOMH-UHFFFAOYSA-N -1 0 319.383 -0.474 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000831758142 603648056 /nfs/dbraw/zinc/64/80/56/603648056.db2.gz TULWCYLHZXBIJD-ZJUUUORDSA-N -1 0 318.293 -0.286 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)C(C)(C)CNC(=O)[O-])CC1 ZINC000827474858 603648217 /nfs/dbraw/zinc/64/82/17/603648217.db2.gz BIHMZQMYKTYIBD-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM COCC(=O)N[C@H](C(=O)NCC(C)(C)NC(=O)[O-])C(C)C ZINC000828885388 603654324 /nfs/dbraw/zinc/65/43/24/603654324.db2.gz DESOQPJRQHFZAI-JTQLQIEISA-N -1 0 303.359 -0.064 20 0 DBADRM C[C@H](CC(=O)N1CCN(CC[S@](C)=O)CC1)NC(=O)[O-] ZINC000824593489 603661005 /nfs/dbraw/zinc/66/10/05/603661005.db2.gz YCGZZZAJMBDHGV-SBKAZYGRSA-N -1 0 305.400 -0.445 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)NC(=O)[O-] ZINC000823906830 603661245 /nfs/dbraw/zinc/66/12/45/603661245.db2.gz KWDKMBOUXDPQLS-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM CC(C)(CNC(=O)CN1C(=O)NC(C)(C)C1=O)NC(=O)[O-] ZINC000823912669 603670119 /nfs/dbraw/zinc/67/01/19/603670119.db2.gz RFCZQTZXRDFJRR-UHFFFAOYSA-N -1 0 300.315 -0.521 20 0 DBADRM COC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000828684339 603674995 /nfs/dbraw/zinc/67/49/95/603674995.db2.gz SWSDKQXCKULWKU-ISVAXAHUSA-N -1 0 313.310 -0.092 20 0 DBADRM C[C@H](CC(=O)N1CCSC[C@H]1S(C)(=O)=O)NC(=O)[O-] ZINC000824598376 603682233 /nfs/dbraw/zinc/68/22/33/603682233.db2.gz CMBDYMDOJIMNRN-VXNVDRBHSA-N -1 0 310.397 -0.021 20 0 DBADRM C[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1CNC(=O)[O-] ZINC000825920562 603684305 /nfs/dbraw/zinc/68/43/05/603684305.db2.gz ZDWOINKXGUFVSL-SCZZXKLOSA-N -1 0 324.341 -0.728 20 0 DBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000829669882 603685172 /nfs/dbraw/zinc/68/51/72/603685172.db2.gz RLVKBOYDAXGMCS-DTWKUNHWSA-N -1 0 322.408 -0.068 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)NCCNS(C)(=O)=O)C(=O)[O-] ZINC000828200568 603687508 /nfs/dbraw/zinc/68/75/08/603687508.db2.gz XCXQGPXMSHCNQU-SECBINFHSA-N -1 0 322.387 -0.681 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000827960781 603688221 /nfs/dbraw/zinc/68/82/21/603688221.db2.gz LWNFZKGJQRQNJR-UHFFFAOYSA-N -1 0 322.321 -0.403 20 0 DBADRM CN(C(=O)C(C)(C)NS(C)(=O)=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827730876 603692465 /nfs/dbraw/zinc/69/24/65/603692465.db2.gz ULQUQOJDZQVKRK-MRVPVSSYSA-N -1 0 307.372 -0.475 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)[O-] ZINC000825508669 603693543 /nfs/dbraw/zinc/69/35/43/603693543.db2.gz JHIMCTJSZVPZMO-KXUCPTDWSA-N -1 0 321.399 -0.181 20 0 DBADRM NC(=O)CCCNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000831183683 603695187 /nfs/dbraw/zinc/69/51/87/603695187.db2.gz AOJHODZNFVTWJW-UHFFFAOYSA-N -1 0 322.321 -0.226 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)C(=O)C1(OC)CCN(C(=O)[O-])CC1 ZINC000828525912 603697719 /nfs/dbraw/zinc/69/77/19/603697719.db2.gz CEZDYPKVEMDSCD-JTQLQIEISA-N -1 0 315.370 -0.014 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000828538195 603700987 /nfs/dbraw/zinc/70/09/87/603700987.db2.gz RGOJOJXPHNPHNH-UHFFFAOYSA-N -1 0 322.321 -0.403 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000823574962 603702230 /nfs/dbraw/zinc/70/22/30/603702230.db2.gz LCTNEZQOZNVAQW-QJPTWQEYSA-N -1 0 313.354 -0.526 20 0 DBADRM CN(C(=O)CCn1cc[nH]c(=O)c1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827759417 603710501 /nfs/dbraw/zinc/71/05/01/603710501.db2.gz SOYKBPBCQJAAIE-SECBINFHSA-N -1 0 310.310 -0.863 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCCO[C@@H]1CCOC1 ZINC000831680397 603716581 /nfs/dbraw/zinc/71/65/81/603716581.db2.gz HGAFCKWMAYNPDO-GMTAPVOTSA-N -1 0 302.327 -0.589 20 0 DBADRM CN(C(=O)CN1C(=O)NC(C)(C)C1=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827765987 603718931 /nfs/dbraw/zinc/71/89/31/603718931.db2.gz XCXRLRQPXGOAEX-QMMMGPOBSA-N -1 0 312.326 -0.473 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000831283517 603719299 /nfs/dbraw/zinc/71/92/99/603719299.db2.gz OJNNMANPUUYVPI-SRVKXCTJSA-N -1 0 314.338 -0.228 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)C1 ZINC000831858889 603720704 /nfs/dbraw/zinc/72/07/04/603720704.db2.gz QDKVWHVGKPUUBQ-VXGBXAGGSA-N -1 0 314.338 -0.228 20 0 DBADRM CCc1nnc2n1C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])CC2 ZINC000827655543 603722823 /nfs/dbraw/zinc/72/28/23/603722823.db2.gz ICXZBDZMTQCKJK-BBBLOLIVSA-N -1 0 323.353 -0.615 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])CC2 ZINC000830893355 603723884 /nfs/dbraw/zinc/72/38/84/603723884.db2.gz LFOJRSXBSVVFTD-UTLUCORTSA-N -1 0 309.326 -0.869 20 0 DBADRM COC[C@](C)(NC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)OC ZINC000828885717 603725244 /nfs/dbraw/zinc/72/52/44/603725244.db2.gz MHJJTGSITIKEDG-RYUDHWBXSA-N -1 0 306.290 -0.227 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000828557774 603725241 /nfs/dbraw/zinc/72/52/41/603725241.db2.gz USRJNWBFSZGADC-MRVPVSSYSA-N -1 0 322.321 -0.357 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000831259786 603725487 /nfs/dbraw/zinc/72/54/87/603725487.db2.gz HQOBNCDGQBWGGH-LURJTMIESA-N -1 0 311.298 -0.410 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000827046311 603729797 /nfs/dbraw/zinc/72/97/97/603729797.db2.gz RYKDOYXFPJXSCO-JTQLQIEISA-N -1 0 321.399 -0.226 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCC(=O)Nc1cccnc1 ZINC000831433858 603731832 /nfs/dbraw/zinc/73/18/32/603731832.db2.gz XHQHXQKKLQQUNU-GHMZBOCLSA-N -1 0 322.321 -0.360 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)C1 ZINC000827823057 603733421 /nfs/dbraw/zinc/73/34/21/603733421.db2.gz QCXDSPMUVMVRBW-LURJTMIESA-N -1 0 311.298 -0.316 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000829675293 603734329 /nfs/dbraw/zinc/73/43/29/603734329.db2.gz VLOBTFYSGOJLSW-SECBINFHSA-N -1 0 307.372 -0.137 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCC(=O)Nc1ccccn1 ZINC000831433010 603736039 /nfs/dbraw/zinc/73/60/39/603736039.db2.gz OREWRWMFSDJRNH-ZJUUUORDSA-N -1 0 322.321 -0.360 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000828703453 603737073 /nfs/dbraw/zinc/73/70/73/603737073.db2.gz BPAZTHVHTKNWRB-AEJSXWLSSA-N -1 0 315.326 -0.553 20 0 DBADRM NC(=O)CC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000831185605 603739035 /nfs/dbraw/zinc/73/90/35/603739035.db2.gz WLCGCYRTQHCRPQ-HBNTYKKESA-N -1 0 313.354 -0.396 20 0 DBADRM COC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000828731532 603739431 /nfs/dbraw/zinc/73/94/31/603739431.db2.gz WCISHILSDSCPGD-AEJSXWLSSA-N -1 0 300.311 -0.489 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N(C)CCN1CCCS1(=O)=O ZINC000824824397 603742331 /nfs/dbraw/zinc/74/23/31/603742331.db2.gz LFMGSEFXXRMEBE-JTQLQIEISA-N -1 0 321.399 -0.274 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000823774237 603743766 /nfs/dbraw/zinc/74/37/66/603743766.db2.gz XVBICEUYSWAVSC-IUCAKERBSA-N -1 0 301.343 -0.479 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828639309 603743905 /nfs/dbraw/zinc/74/39/05/603743905.db2.gz FZXYSLYUKMGARP-BBBLOLIVSA-N -1 0 300.311 -0.177 20 0 DBADRM CC1(C)CN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CCS1(=O)=O ZINC000825718280 603744030 /nfs/dbraw/zinc/74/40/30/603744030.db2.gz DLNRJBHYOBIZIV-BDAKNGLRSA-N -1 0 320.367 -0.865 20 0 DBADRM C[C@@H](CNC(=O)COC1CN(C(=O)[O-])C1)N1CCOCC1 ZINC000824923033 603744740 /nfs/dbraw/zinc/74/47/40/603744740.db2.gz VYYZBTMJLFDSGX-JTQLQIEISA-N -1 0 301.343 -0.798 20 0 DBADRM CC1(C)COCCN1CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000825735170 603746062 /nfs/dbraw/zinc/74/60/62/603746062.db2.gz WIWQLIVTASUYCK-MNOVXSKESA-N -1 0 315.370 -0.673 20 0 DBADRM CC1(C)COCCN1CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000825735172 603746625 /nfs/dbraw/zinc/74/66/25/603746625.db2.gz WIWQLIVTASUYCK-WDEREUQCSA-N -1 0 315.370 -0.673 20 0 DBADRM C[C@H](NC(=O)COC(=O)C(C)(C)CNC(=O)[O-])C(=O)N(C)C ZINC000825121340 603750738 /nfs/dbraw/zinc/75/07/38/603750738.db2.gz LDFWBZWOBVOXAU-QMMMGPOBSA-N -1 0 317.342 -0.584 20 0 DBADRM CN(CCN1CCOCC1)C(=O)COC1CN(C(=O)[O-])C1 ZINC000828316400 603751055 /nfs/dbraw/zinc/75/10/55/603751055.db2.gz NVBJHNFWYZXQGC-UHFFFAOYSA-N -1 0 301.343 -0.844 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CC1=O ZINC000828452910 603756217 /nfs/dbraw/zinc/75/62/17/603756217.db2.gz WEYTXWPGDQEKME-MRVPVSSYSA-N -1 0 321.293 -0.543 20 0 DBADRM CC(C)c1nnc2n1CCN(C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])C2 ZINC000824511537 603758851 /nfs/dbraw/zinc/75/88/51/603758851.db2.gz WMSZMXLAOCFMQN-VHSXEESVSA-N -1 0 323.353 -0.143 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@H]1Cn1cccn1 ZINC000831274740 603760753 /nfs/dbraw/zinc/76/07/53/603760753.db2.gz XYPHUIQQSIYUFC-SRVKXCTJSA-N -1 0 308.338 -0.013 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@H]1Cn1cccn1 ZINC000831274743 603760826 /nfs/dbraw/zinc/76/08/26/603760826.db2.gz XYPHUIQQSIYUFC-TUAOUCFPSA-N -1 0 308.338 -0.013 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)CCCNC(=O)[O-] ZINC000828312244 603762541 /nfs/dbraw/zinc/76/25/41/603762541.db2.gz ITMYNBTYYFGOCZ-UHFFFAOYSA-N -1 0 307.372 -0.472 20 0 DBADRM O=C([O-])N(CCNC(=O)NCc1nnnn1C1CC1)C1CC1 ZINC000831685026 603766135 /nfs/dbraw/zinc/76/61/35/603766135.db2.gz HQMMGVVLOWVNCX-UHFFFAOYSA-N -1 0 309.330 -0.050 20 0 DBADRM CCN(C(=O)COC1CN(C(=O)[O-])C1)[C@H](C)CS(C)(=O)=O ZINC000826980471 603767970 /nfs/dbraw/zinc/76/79/70/603767970.db2.gz VZWAWEFFVNZJFW-SECBINFHSA-N -1 0 322.383 -0.353 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)CN(CC2CC2)C(=O)[O-])C1 ZINC000827961344 603772390 /nfs/dbraw/zinc/77/23/90/603772390.db2.gz VAGADTPZEYEBKI-UHFFFAOYSA-N -1 0 313.354 -0.308 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)CCCN(C)C(=O)[O-])C1 ZINC000827961017 603772439 /nfs/dbraw/zinc/77/24/39/603772439.db2.gz OEGDYYCLVXSPCO-UHFFFAOYSA-N -1 0 301.343 -0.308 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC[C@H](NC(=O)[O-])C2)cnn1C ZINC000829877060 603774526 /nfs/dbraw/zinc/77/45/26/603774526.db2.gz LIGJPTVXWQHCHZ-VIFPVBQESA-N -1 0 309.326 -0.074 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC[C@@H](NC(=O)[O-])C2)cnn1C ZINC000829877059 603774626 /nfs/dbraw/zinc/77/46/26/603774626.db2.gz LIGJPTVXWQHCHZ-SECBINFHSA-N -1 0 309.326 -0.074 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)[C@@H]2CSCN2C(=O)[O-])CCO1 ZINC000828662784 603775250 /nfs/dbraw/zinc/77/52/50/603775250.db2.gz FZYWWBOMWRJJJC-IUCAKERBSA-N -1 0 318.351 -0.170 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCN(C(=O)[O-])[C@H](C)C2)cnn1C ZINC000829876004 603775951 /nfs/dbraw/zinc/77/59/51/603775951.db2.gz CDQLLGWNRJBIKR-MRVPVSSYSA-N -1 0 309.326 -0.122 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCOC[C@@H]1CCOC1 ZINC000831693792 603776388 /nfs/dbraw/zinc/77/63/88/603776388.db2.gz OJZHHGQCJZPKAZ-MXWKQRLJSA-N -1 0 302.327 -0.731 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC[C@H]2CNC(=O)[O-])cnn1C ZINC000829877558 603778332 /nfs/dbraw/zinc/77/83/32/603778332.db2.gz OFRJPSNOLLBMND-VIFPVBQESA-N -1 0 309.326 -0.074 20 0 DBADRM CNC(=O)Cc1noc(CN2CCC[C@@H](N(C)C(=O)[O-])C2)n1 ZINC000828547588 603780334 /nfs/dbraw/zinc/78/03/34/603780334.db2.gz TUUOFGXXGWPJDC-SECBINFHSA-N -1 0 311.342 -0.068 20 0 DBADRM CNC(=O)Cc1noc(CN2CCC(N(C)C(=O)[O-])CC2)n1 ZINC000828547827 603781438 /nfs/dbraw/zinc/78/14/38/603781438.db2.gz XUHRCGWPWUKGJY-UHFFFAOYSA-N -1 0 311.342 -0.068 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCCN(C(=O)[O-])CC1 ZINC000828602635 603789615 /nfs/dbraw/zinc/78/96/15/603789615.db2.gz XAYJFFIOGWDYAU-VIFPVBQESA-N -1 0 308.356 -0.189 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCCN(C(=O)[O-])CC1 ZINC000828602633 603789690 /nfs/dbraw/zinc/78/96/90/603789690.db2.gz XAYJFFIOGWDYAU-SECBINFHSA-N -1 0 308.356 -0.189 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC000828601740 603790698 /nfs/dbraw/zinc/79/06/98/603790698.db2.gz QPLNFVZAXKAOCA-IUCAKERBSA-N -1 0 308.356 -0.143 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCCOC[C@@H]1CCCO1 ZINC000831680105 603791262 /nfs/dbraw/zinc/79/12/62/603791262.db2.gz BWAOOMLCPMUZIV-SRVKXCTJSA-N -1 0 316.354 -0.199 20 0 DBADRM C[C@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H](C)N1C(=O)[O-] ZINC000826041806 603794315 /nfs/dbraw/zinc/79/43/15/603794315.db2.gz KDJWNIFTQXDZMP-YUMQZZPRSA-N -1 0 307.310 -0.212 20 0 DBADRM C[C@H](OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000825543402 603794708 /nfs/dbraw/zinc/79/47/08/603794708.db2.gz CPQXDKRQTAHQMW-TVQRCGJNSA-N -1 0 318.301 -0.131 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825698900 603798464 /nfs/dbraw/zinc/79/84/64/603798464.db2.gz ZTYFBDSTNKCKTA-MRVPVSSYSA-N -1 0 312.326 -0.425 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)OCCCN2C(=O)CNC2=O)C1 ZINC000831915187 603799769 /nfs/dbraw/zinc/79/97/69/603799769.db2.gz VLEXUBDHTLABAA-LBPRGKRZSA-N -1 0 317.273 -0.437 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000825988865 603800189 /nfs/dbraw/zinc/80/01/89/603800189.db2.gz PIXOXHSNXXUVNZ-RNCFNFMXSA-N -1 0 318.301 -0.131 20 0 DBADRM C[C@H](OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)N1CCNC1=O ZINC000825544232 603800615 /nfs/dbraw/zinc/80/06/15/603800615.db2.gz KRCTVTJTUQEWFA-JVXZTZIISA-N -1 0 317.273 -0.438 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000826922340 603800689 /nfs/dbraw/zinc/80/06/89/603800689.db2.gz WZOHJLFVEDEXSZ-LLVKDONJSA-N -1 0 314.386 -0.345 20 0 DBADRM CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])CC2 ZINC000827642500 603801168 /nfs/dbraw/zinc/80/11/68/603801168.db2.gz ITEXOLQNPBQOJE-UTLUCORTSA-N -1 0 323.353 -0.615 20 0 DBADRM C[C@@H](CO)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821995071 607651586 /nfs/dbraw/zinc/65/15/86/607651586.db2.gz ZLWGTTZRPGUZRC-YFKPBYRVSA-N -1 0 319.293 -0.196 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC000826115473 603811141 /nfs/dbraw/zinc/81/11/41/603811141.db2.gz GUUFJUVCMDXUME-DCAQKATOSA-N -1 0 315.370 -0.063 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000825177501 603817688 /nfs/dbraw/zinc/81/76/88/603817688.db2.gz LAHMPNJMCTVLTO-UVPNAGLESA-N -1 0 312.326 -0.521 20 0 DBADRM CN(CC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)C(=O)[O-] ZINC000828108917 603818604 /nfs/dbraw/zinc/81/86/04/603818604.db2.gz YARQZMVHPHLYBF-OQPBUACISA-N -1 0 312.326 -0.567 20 0 DBADRM CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000828551735 603820585 /nfs/dbraw/zinc/82/05/85/603820585.db2.gz GIKWMZNFIIDCEV-SFYZADRCSA-N -1 0 301.299 -0.094 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000824130410 603820997 /nfs/dbraw/zinc/82/09/97/603820997.db2.gz XFFJLGNDXKDFLD-LLVKDONJSA-N -1 0 301.343 -0.406 20 0 DBADRM Cc1nc2n(c1C)CCN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])C2 ZINC000830800150 603821394 /nfs/dbraw/zinc/82/13/94/603821394.db2.gz UMRBNMNNZIIMCR-MNOVXSKESA-N -1 0 308.338 -0.045 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)CC2CN(C(=O)[O-])C2)C1 ZINC000831239963 603821437 /nfs/dbraw/zinc/82/14/37/603821437.db2.gz KLQONOPEEYMIJD-VIFPVBQESA-N -1 0 305.356 -0.734 20 0 DBADRM CS(=O)(=O)CCCC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000829670263 603821494 /nfs/dbraw/zinc/82/14/94/603821494.db2.gz ZJEFKBAEXGELEN-SECBINFHSA-N -1 0 307.324 -0.324 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000828684157 603821524 /nfs/dbraw/zinc/82/15/24/603821524.db2.gz QKXFBNXHAYOCEI-IUCAKERBSA-N -1 0 316.310 -0.260 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCC1(O)Cc2ccccc2C1 ZINC000831627682 603825149 /nfs/dbraw/zinc/82/51/49/603825149.db2.gz MGWZCDMBCIAMHL-CHWSQXEVSA-N -1 0 320.345 -0.254 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NC1CCC(NC(=O)[O-])CC1)C(N)=O ZINC000823585209 603825183 /nfs/dbraw/zinc/82/51/83/603825183.db2.gz HIXPATSCGYCXNS-RTBKNWGFSA-N -1 0 314.342 -0.939 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCC1(O)Cc2ccccc2C1 ZINC000831627683 603825198 /nfs/dbraw/zinc/82/51/98/603825198.db2.gz MGWZCDMBCIAMHL-OLZOCXBDSA-N -1 0 320.345 -0.254 20 0 DBADRM CC(C)CNC(=O)[C@H](C)OC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000824262655 603826147 /nfs/dbraw/zinc/82/61/47/603826147.db2.gz DYYIGLXQBNBYLJ-LPEHRKFASA-N -1 0 302.327 -0.197 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCCOC[C@@H]1CCOC1 ZINC000831680065 603830876 /nfs/dbraw/zinc/83/08/76/603830876.db2.gz AVKCLZGHTUKUMW-TUAOUCFPSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000831282135 603831099 /nfs/dbraw/zinc/83/10/99/603831099.db2.gz BMSYZEBFALMKLG-OIBJUYFYSA-N -1 0 312.244 -0.109 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCCOC[C@@H]1CCOC1 ZINC000831680057 603831175 /nfs/dbraw/zinc/83/11/75/603831175.db2.gz AVKCLZGHTUKUMW-QJPTWQEYSA-N -1 0 316.354 -0.341 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN([C@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000827881937 603832767 /nfs/dbraw/zinc/83/27/67/603832767.db2.gz JAELXPRTPJDNBY-ZJUUUORDSA-N -1 0 319.321 -0.207 20 0 DBADRM C[C@@H](CNC(=O)[C@]1(F)CCN(C(=O)[O-])C1)N1CCOCC1 ZINC000824916573 603837852 /nfs/dbraw/zinc/83/78/52/603837852.db2.gz SSFCWAQZCIYDHR-GWCFXTLKSA-N -1 0 303.334 -0.085 20 0 DBADRM C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CCN1C(=O)[O-] ZINC000825983899 603839550 /nfs/dbraw/zinc/83/95/50/603839550.db2.gz QMXIRBJFRSFMCK-MRVPVSSYSA-N -1 0 312.326 -0.473 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)NCCNC(=O)[O-])CC2 ZINC000829049282 603842561 /nfs/dbraw/zinc/84/25/61/603842561.db2.gz BWYMQYROQWERQC-QMMMGPOBSA-N -1 0 312.330 -0.694 20 0 DBADRM NC(=O)c1nccnc1C(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000831238949 603843224 /nfs/dbraw/zinc/84/32/24/603843224.db2.gz BUDKRLMVHPKALC-YUMQZZPRSA-N -1 0 307.310 -0.258 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000828552222 603847304 /nfs/dbraw/zinc/84/73/04/603847304.db2.gz NTEHRTVXGMRVND-BIIVOSGPSA-N -1 0 301.299 -0.190 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000828684416 603847460 /nfs/dbraw/zinc/84/74/60/603847460.db2.gz VAAYOXHTJCSWTB-XHNCKOQMSA-N -1 0 316.310 -0.356 20 0 DBADRM O=C([O-])N(CCNC(=O)N1CCN2C(=O)NC[C@H]2C1)C1CC1 ZINC000831685300 603847809 /nfs/dbraw/zinc/84/78/09/603847809.db2.gz ONGCNVDCSUVDHC-JTQLQIEISA-N -1 0 311.342 -0.452 20 0 DBADRM CC[C@@H](NC(=O)NCCCNC(=O)[O-])C(=O)N1CCOCC1 ZINC000826613894 603852097 /nfs/dbraw/zinc/85/20/97/603852097.db2.gz UFMMHLKALNNSLU-SNVBAGLBSA-N -1 0 316.358 -0.419 20 0 DBADRM CCCOC(=O)[C@@H](C)OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000826931846 603853259 /nfs/dbraw/zinc/85/32/59/603853259.db2.gz XFGVSMBKKYBACO-SECBINFHSA-N -1 0 316.310 -0.307 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000824387375 603857640 /nfs/dbraw/zinc/85/76/40/603857640.db2.gz DTRLNQIOLYNOCK-KXUCPTDWSA-N -1 0 302.327 -0.197 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000828682697 603861701 /nfs/dbraw/zinc/86/17/01/603861701.db2.gz BBSMFIWYWCDBBD-IUCAKERBSA-N -1 0 316.310 -0.355 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000825698706 603861996 /nfs/dbraw/zinc/86/19/96/603861996.db2.gz ZBHRWKDWLZTYIP-MRVPVSSYSA-N -1 0 312.326 -0.425 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000831646800 603862637 /nfs/dbraw/zinc/86/26/37/603862637.db2.gz JLKHZRBQNAOCAM-VHSXEESVSA-N -1 0 311.342 -0.452 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000831646772 603862850 /nfs/dbraw/zinc/86/28/50/603862850.db2.gz JLKHZRBQNAOCAM-NXEZZACHSA-N -1 0 311.342 -0.452 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000831239002 603864349 /nfs/dbraw/zinc/86/43/49/603864349.db2.gz CEHIWDLFKUKJJX-LDYMZIIASA-N -1 0 323.346 -0.642 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1=O ZINC000825860432 603866403 /nfs/dbraw/zinc/86/64/03/603866403.db2.gz JMEKPILQYAMWTR-MVCUBJFGSA-N -1 0 311.338 -0.775 20 0 DBADRM CNC(=O)NC(=O)COC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000828551962 603867151 /nfs/dbraw/zinc/86/71/51/603867151.db2.gz JZORIASTNAVPIT-SFYZADRCSA-N -1 0 301.299 -0.188 20 0 DBADRM C[C@@H]1CN(CCNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000826057092 603869767 /nfs/dbraw/zinc/86/97/67/603869767.db2.gz GMAZUQZYFGTNAB-ZWNOBZJWSA-N -1 0 303.334 -0.085 20 0 DBADRM C[C@@]1(C(=O)NC2CCN(CC(N)=O)CC2)CCN(C(=O)[O-])C1 ZINC000825656769 603871091 /nfs/dbraw/zinc/87/10/91/603871091.db2.gz KTLHHGHTAZZDLM-CQSZACIVSA-N -1 0 312.370 -0.558 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)OCC(=O)N2CCNC2=O)C1 ZINC000832332548 603872246 /nfs/dbraw/zinc/87/22/46/603872246.db2.gz NINMWUSGYOBFGJ-BDAKNGLRSA-N -1 0 313.310 -0.092 20 0 DBADRM O=C([O-])N1CCC2(CC1)NC(=O)N(CCn1cccn1)C2=O ZINC000831974287 603872640 /nfs/dbraw/zinc/87/26/40/603872640.db2.gz LEOLEXJILFBCQC-UHFFFAOYSA-N -1 0 307.310 -0.053 20 0 DBADRM C[C@@]1(C(=O)NCCC(=O)N2CCOCC2)CCN(C(=O)[O-])C1 ZINC000825663437 603873375 /nfs/dbraw/zinc/87/33/75/603873375.db2.gz OYRFOMHLVCAWDM-CQSZACIVSA-N -1 0 313.354 -0.259 20 0 DBADRM CN(C(=S)NCCN1CCOCC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827950137 603879175 /nfs/dbraw/zinc/87/91/75/603879175.db2.gz NOBWFOZXUGBTTF-NSHDSACASA-N -1 0 316.427 -0.123 20 0 DBADRM CN(C(=S)NCCS(C)(=O)=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827949295 603881583 /nfs/dbraw/zinc/88/15/83/603881583.db2.gz JIBUGFIDYAZGDQ-QMMMGPOBSA-N -1 0 309.413 -0.410 20 0 DBADRM CC[C@H](O)CN1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000826626235 603883615 /nfs/dbraw/zinc/88/36/15/603883615.db2.gz SYAWQDOJGZQOIN-FZMZJTMJSA-N -1 0 317.361 -0.007 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000825527588 603883703 /nfs/dbraw/zinc/88/37/03/603883703.db2.gz FEMIZYVLMRVCNS-GXFFZTMASA-N -1 0 303.334 -0.397 20 0 DBADRM CO[C@@H]1C[C@@H](NC(=O)CN2CCN(C(=O)[O-])CC2=O)C1(C)C ZINC000828873285 603883987 /nfs/dbraw/zinc/88/39/87/603883987.db2.gz AQBNTASWGWTLML-NXEZZACHSA-N -1 0 313.354 -0.262 20 0 DBADRM CNC(=O)CC1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000828531896 603886051 /nfs/dbraw/zinc/88/60/51/603886051.db2.gz LLESPUJKLHDDBO-NSHDSACASA-N -1 0 313.354 -0.260 20 0 DBADRM CN(Cc1nccs1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000828426757 603887670 /nfs/dbraw/zinc/88/76/70/603887670.db2.gz OXDRRVOBMLWHTC-UHFFFAOYSA-N -1 0 312.351 -0.076 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000831896822 603893287 /nfs/dbraw/zinc/89/32/87/603893287.db2.gz YDGHQCOOEBXHFB-LDYMZIIASA-N -1 0 308.331 -0.228 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NCCN2C(=O)CCC2=O)C1 ZINC000831901875 603894989 /nfs/dbraw/zinc/89/49/89/603894989.db2.gz KUIAWYYCQKCEJL-GFCCVEGCSA-N -1 0 301.274 -0.656 20 0 DBADRM COCCc1noc(COC(=O)[C@H]2COCCN2C(=O)[O-])n1 ZINC000829029673 603897043 /nfs/dbraw/zinc/89/70/43/603897043.db2.gz AROXXPMXJYHTFZ-MRVPVSSYSA-N -1 0 315.282 -0.320 20 0 DBADRM COCCCNC(=O)[C@@H](C)OC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000828950874 603898665 /nfs/dbraw/zinc/89/86/65/603898665.db2.gz VETYPNNPJGUUFW-ZJUUUORDSA-N -1 0 318.326 -0.550 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000829688960 603900638 /nfs/dbraw/zinc/90/06/38/603900638.db2.gz YGEWHSAITWMWEU-KWQFWETISA-N -1 0 323.346 -0.772 20 0 DBADRM NC(=O)CCn1ccc(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)n1 ZINC000831189936 603900643 /nfs/dbraw/zinc/90/06/43/603900643.db2.gz HOQSHSFJDVKDLB-GFCCVEGCSA-N -1 0 313.289 -0.211 20 0 DBADRM C[C@H]1CN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCS1(=O)=O ZINC000825969898 603902585 /nfs/dbraw/zinc/90/25/85/603902585.db2.gz ROPQYTDBWAAEIT-KWQFWETISA-N -1 0 308.331 -0.276 20 0 DBADRM O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])NC1CCCC1 ZINC000831504299 603902598 /nfs/dbraw/zinc/90/25/98/603902598.db2.gz VIJYSEOXPUYBDR-JTQLQIEISA-N -1 0 300.311 -0.033 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000827476151 603904569 /nfs/dbraw/zinc/90/45/69/603904569.db2.gz UQDJRGVBYZPMJY-GFCCVEGCSA-N -1 0 321.399 -0.178 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828267115 603906451 /nfs/dbraw/zinc/90/64/51/603906451.db2.gz OVPTVJBAZZUSSQ-BXKDBHETSA-N -1 0 322.358 -0.029 20 0 DBADRM C[C@@H]1CN(C(=O)NCc2nnnn2C2CC2)CCN1C(=O)[O-] ZINC000826008977 603908489 /nfs/dbraw/zinc/90/84/89/603908489.db2.gz ZZKVPIACTDPJHZ-MRVPVSSYSA-N -1 0 309.330 -0.098 20 0 DBADRM C[C@H]1CN(C(=O)NCc2nnnn2C2CC2)CCN1C(=O)[O-] ZINC000826008981 603908561 /nfs/dbraw/zinc/90/85/61/603908561.db2.gz ZZKVPIACTDPJHZ-QMMMGPOBSA-N -1 0 309.330 -0.098 20 0 DBADRM COCCCNC(=O)COC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000828950904 603909962 /nfs/dbraw/zinc/90/99/62/603909962.db2.gz WHEBYZQXIRHBRS-SECBINFHSA-N -1 0 304.299 -0.939 20 0 DBADRM O=C([O-])N1CCN(CCCNS(=O)(=O)[C@@H]2CCOC2)CC1 ZINC000832031441 603912596 /nfs/dbraw/zinc/91/25/96/603912596.db2.gz MWPOOJDNYZHBKT-LLVKDONJSA-N -1 0 321.399 -0.620 20 0 DBADRM C[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1(C)C)C(=O)N(C)C ZINC000825120333 603915451 /nfs/dbraw/zinc/91/54/51/603915451.db2.gz FBHBPKGCKCPEAP-SNVBAGLBSA-N -1 0 314.386 -0.347 20 0 DBADRM C[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1(C)C)C(=O)N(C)C ZINC000825120332 603915552 /nfs/dbraw/zinc/91/55/52/603915552.db2.gz FBHBPKGCKCPEAP-JTQLQIEISA-N -1 0 314.386 -0.347 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)cn1 ZINC000830995317 603920445 /nfs/dbraw/zinc/92/04/45/603920445.db2.gz YRRYSXYXYDNTDL-JOYOIKCWSA-N -1 0 300.290 -0.338 20 0 DBADRM CC(C)[C@@H](CCN(C)CN1C(=O)C(=O)N(C)C1=O)NC(=O)[O-] ZINC000824098579 603920642 /nfs/dbraw/zinc/92/06/42/603920642.db2.gz JVFPAWOMUJHHRM-SECBINFHSA-N -1 0 314.342 -0.021 20 0 DBADRM O=C([O-])N(CC(=O)N1CCc2n[nH]nc2C1)C[C@@H]1CCCO1 ZINC000831819826 603928077 /nfs/dbraw/zinc/92/80/77/603928077.db2.gz AHFGJRSQPIBGQW-VIFPVBQESA-N -1 0 309.326 -0.152 20 0 DBADRM COC(=O)C[C@H](NC(=O)COC1CN(C(=O)[O-])C1)C1CC1 ZINC000828655667 603939766 /nfs/dbraw/zinc/93/97/66/603939766.db2.gz HQSFRBWPLRDQMA-JTQLQIEISA-N -1 0 300.311 -0.177 20 0 DBADRM C[C@@]1(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCN(C(=O)[O-])C1 ZINC000825650019 603946887 /nfs/dbraw/zinc/94/68/87/603946887.db2.gz BJJTYIZMELXDLE-JOYOIKCWSA-N -1 0 319.383 -0.474 20 0 DBADRM CC1(C)CN(C(=O)[O-])CCN1C(=O)CCNS(C)(=O)=O ZINC000825725158 603948449 /nfs/dbraw/zinc/94/84/49/603948449.db2.gz TWERPIJUQRZTJT-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM CC1(C)CN(C(=O)[O-])CCN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000825724798 603948515 /nfs/dbraw/zinc/94/85/15/603948515.db2.gz NTCGSZZATWDMKT-UHFFFAOYSA-N -1 0 311.298 -0.316 20 0 DBADRM CNC(=O)NC(=O)[C@@H](C)OC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000828552430 603948789 /nfs/dbraw/zinc/94/87/89/603948789.db2.gz QRNGFUAKUSHBBJ-HTQZYQBOSA-N -1 0 301.299 -0.094 20 0 DBADRM C[C@@]1(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)CCN(C(=O)[O-])C1 ZINC000825651436 603949283 /nfs/dbraw/zinc/94/92/83/603949283.db2.gz YHEHDWZDUIOZCW-OLZOCXBDSA-N -1 0 310.310 -0.813 20 0 DBADRM COC(=O)C[C@@H](C)N1CCN(C(=O)[C@H](C)NC(=O)[O-])CC1 ZINC000828647410 603952251 /nfs/dbraw/zinc/95/22/51/603952251.db2.gz PRDITUJSEZTUGS-ZJUUUORDSA-N -1 0 301.343 -0.262 20 0 DBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)C3=COCCO3)n2)CC1 ZINC000831811012 603958914 /nfs/dbraw/zinc/95/89/14/603958914.db2.gz XLLYINADOAJXPR-UHFFFAOYSA-N -1 0 324.297 -0.569 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827312801 603959462 /nfs/dbraw/zinc/95/94/62/603959462.db2.gz JNVVOCNQZCRTGX-RKDXNWHRSA-N -1 0 315.326 -0.700 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000825177103 603962081 /nfs/dbraw/zinc/96/20/81/603962081.db2.gz GLXUDXSWYGYLSW-MRVPVSSYSA-N -1 0 319.383 -0.285 20 0 DBADRM CCCC[C@@H](CNC(=O)[O-])NC(=O)CN1CCCS1(=O)=O ZINC000826780420 603962112 /nfs/dbraw/zinc/96/21/12/603962112.db2.gz GTZBYOMANPAFSK-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)C3CCOCC3)n2)CC1 ZINC000831811081 603962678 /nfs/dbraw/zinc/96/26/78/603962678.db2.gz ZKWCVYJYNPMZGL-UHFFFAOYSA-N -1 0 324.341 -0.030 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)n1 ZINC000827965713 603966418 /nfs/dbraw/zinc/96/64/18/603966418.db2.gz FTZRNVGTTIQJOX-ZDUSSCGKSA-N -1 0 324.341 -0.305 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)COC1CN(C(=O)[O-])C1 ZINC000831167817 603988486 /nfs/dbraw/zinc/98/84/86/603988486.db2.gz QLKMNCNQGASFJT-LBPRGKRZSA-N -1 0 321.333 -0.422 20 0 DBADRM CN(C)C(=O)[C@H]1CSCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000827953933 603993449 /nfs/dbraw/zinc/99/34/49/603993449.db2.gz NQYMRLDZIVIJMW-SECBINFHSA-N -1 0 317.367 -0.645 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)COC1CN(C(=O)[O-])C1)CC2 ZINC000830893275 603994297 /nfs/dbraw/zinc/99/42/97/603994297.db2.gz KQBCVLCORUKPLY-SECBINFHSA-N -1 0 309.326 -0.604 20 0 DBADRM NC(=O)N1CCCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000831199646 603995597 /nfs/dbraw/zinc/99/55/97/603995597.db2.gz GALVPJZUOFOQNV-LBPRGKRZSA-N -1 0 302.306 -0.309 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000831265534 603996980 /nfs/dbraw/zinc/99/69/80/603996980.db2.gz OFZGIZZZALIZGA-QMMMGPOBSA-N -1 0 319.325 -0.333 20 0 DBADRM CCN(CC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C(=O)[O-] ZINC000826997334 603997228 /nfs/dbraw/zinc/99/72/28/603997228.db2.gz XZSPHVSZSKAFMG-UHFFFAOYSA-N -1 0 309.326 -0.405 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000824840049 603997679 /nfs/dbraw/zinc/99/76/79/603997679.db2.gz IFJFDZLZCPHQFQ-JTQLQIEISA-N -1 0 323.353 -0.159 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828683888 603997670 /nfs/dbraw/zinc/99/76/70/603997670.db2.gz NYOBRSHIQISLQI-LBPRGKRZSA-N -1 0 320.273 -0.747 20 0 DBADRM NS(=O)(=O)CCNC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000831244744 604003420 /nfs/dbraw/zinc/00/34/20/604003420.db2.gz CLMDXBZSZCZADQ-DTWKUNHWSA-N -1 0 322.387 -0.600 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2CC[C@@H](CNC(=O)[O-])C2)cn1 ZINC000831222671 604004456 /nfs/dbraw/zinc/00/44/56/604004456.db2.gz OLXQPYXCWJEGLI-JTQLQIEISA-N -1 0 321.337 -0.020 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000831858190 604006557 /nfs/dbraw/zinc/00/65/57/604006557.db2.gz JGHHABRQARZSPA-GFCCVEGCSA-N -1 0 324.337 -0.511 20 0 DBADRM CCC[C@@](C)(O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000826730243 604006726 /nfs/dbraw/zinc/00/67/26/604006726.db2.gz YDBMJDCRHZQFDF-CYBMUJFWSA-N -1 0 301.343 -0.524 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000827517773 604008320 /nfs/dbraw/zinc/00/83/20/604008320.db2.gz CIZALNMFMKVTLA-BDAKNGLRSA-N -1 0 311.342 -0.098 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)[O-])CC2 ZINC000829050774 604008959 /nfs/dbraw/zinc/00/89/59/604008959.db2.gz VVQJSKJRTWZYKS-VHSXEESVSA-N -1 0 323.353 -0.002 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[O-])CC2 ZINC000829050777 604009056 /nfs/dbraw/zinc/00/90/56/604009056.db2.gz VVQJSKJRTWZYKS-ZJUUUORDSA-N -1 0 323.353 -0.002 20 0 DBADRM CN(CC(=O)N1CCN(c2nc(N)ns2)CC1)C(=O)[O-] ZINC000828095640 604011848 /nfs/dbraw/zinc/01/18/48/604011848.db2.gz LWXHDHMKNDOKNB-UHFFFAOYSA-N -1 0 300.344 -0.621 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000825779191 604012436 /nfs/dbraw/zinc/01/24/36/604012436.db2.gz WPFCYBIDUFPVFA-RKDXNWHRSA-N -1 0 320.367 -0.601 20 0 DBADRM O=C([O-])N1CC(OCC(=O)NCC[C@@H](O)C(F)(F)F)C1 ZINC000831534167 604013070 /nfs/dbraw/zinc/01/30/70/604013070.db2.gz VLJVPGRVLNUSBW-SSDOTTSWSA-N -1 0 300.233 -0.205 20 0 DBADRM Cn1ncc2c1nnn(CN1CCC(NC(=O)[O-])CC1)c2=O ZINC000831055613 604015284 /nfs/dbraw/zinc/01/52/84/604015284.db2.gz ZGDPQWAPZLKIOE-UHFFFAOYSA-N -1 0 307.314 -0.786 20 0 DBADRM NC(=O)NC1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC000831207765 604020006 /nfs/dbraw/zinc/02/00/06/604020006.db2.gz DLWZUXXMKMCGKP-QMMMGPOBSA-N -1 0 302.356 -0.301 20 0 DBADRM Cc1csc2nc(Cn3nnnc3CNC(=O)[O-])cc(=O)n12 ZINC000830673884 604029959 /nfs/dbraw/zinc/02/99/59/604029959.db2.gz ZNOISCUVAANEGZ-UHFFFAOYSA-N -1 0 321.322 -0.133 20 0 DBADRM O=C([O-])NCc1nnnn1CCN1C(=O)c2ccccc2C1=O ZINC000832744968 604030603 /nfs/dbraw/zinc/03/06/03/604030603.db2.gz QYWBFRWRXQPEJT-UHFFFAOYSA-N -1 0 316.277 -0.263 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828683289 604038371 /nfs/dbraw/zinc/03/83/71/604038371.db2.gz HNDAMTBVQSMWIH-SFYZADRCSA-N -1 0 302.283 -0.745 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000825271001 604040705 /nfs/dbraw/zinc/04/07/05/604040705.db2.gz CYJWFVPQHVXEQE-WDEREUQCSA-N -1 0 321.399 -0.069 20 0 DBADRM CCN(CCCO)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000827130207 604044571 /nfs/dbraw/zinc/04/45/71/604044571.db2.gz ROWOZKQQLACXCC-UHFFFAOYSA-N -1 0 316.358 -0.778 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000828646709 604049003 /nfs/dbraw/zinc/04/90/03/604049003.db2.gz LCBLTVOCWSHTOS-LLVKDONJSA-N -1 0 315.370 -0.060 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827250920 604051621 /nfs/dbraw/zinc/05/16/21/604051621.db2.gz VSAZPKYATOETJK-HTQZYQBOSA-N -1 0 301.299 -0.188 20 0 DBADRM CNC(=O)N1CCN(C(=O)[C@H](CCSC)NC(=O)[O-])CC1 ZINC000828552454 604054438 /nfs/dbraw/zinc/05/44/38/604054438.db2.gz RNSJNTCZZDAVKI-VIFPVBQESA-N -1 0 318.399 -0.141 20 0 DBADRM COCCCOC1CN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000828950560 604057614 /nfs/dbraw/zinc/05/76/14/604057614.db2.gz MDIYNCYDEBLUPJ-ONGXEEELSA-N -1 0 302.327 -0.637 20 0 DBADRM COCCCOC1CN(C(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000828950345 604057625 /nfs/dbraw/zinc/05/76/25/604057625.db2.gz GPJNXLJCHJJWBF-NSHDSACASA-N -1 0 302.327 -0.371 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)n1 ZINC000828077355 604059903 /nfs/dbraw/zinc/05/99/03/604059903.db2.gz NUBRLKIQJWHZKM-JGVFFNPUSA-N -1 0 324.341 -0.001 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000824840916 604064102 /nfs/dbraw/zinc/06/41/02/604064102.db2.gz NQCQBKNHNVBSQG-NSHDSACASA-N -1 0 314.386 -0.535 20 0 DBADRM CC(C)(CNC(=O)[C@H]1COCCN1C(=O)[O-])S(C)(=O)=O ZINC000823908992 604064930 /nfs/dbraw/zinc/06/49/30/604064930.db2.gz ZKLLZZJNJKIGPP-MRVPVSSYSA-N -1 0 308.356 -0.695 20 0 DBADRM CC(C)(CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])S(C)(=O)=O ZINC000823900840 604065001 /nfs/dbraw/zinc/06/50/01/604065001.db2.gz XOHOEQFUYHLAPQ-HTQZYQBOSA-N -1 0 308.356 -0.961 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N(C)CC(=O)N1CCOCC1 ZINC000824823209 604065644 /nfs/dbraw/zinc/06/56/44/604065644.db2.gz FEEXBYIDGXMXJV-SNVBAGLBSA-N -1 0 301.343 -0.451 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)OC[C@H]1CCCN1C(=O)[O-] ZINC000825514171 604065966 /nfs/dbraw/zinc/06/59/66/604065966.db2.gz DYZGFEZJICPITP-GDPRMGEGSA-N -1 0 314.338 -0.052 20 0 DBADRM C[C@@H](NC(=O)CN1CCC[C@@H]1CNC(=O)[O-])C(=O)N(C)C ZINC000825122888 604069305 /nfs/dbraw/zinc/06/93/05/604069305.db2.gz YJDANGKZJJKTIQ-NXEZZACHSA-N -1 0 300.359 -0.689 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)NC1CCN(CC(N)=O)CC1 ZINC000824849442 604076324 /nfs/dbraw/zinc/07/63/24/604076324.db2.gz SHPWNBBBXMXLDN-SECBINFHSA-N -1 0 300.359 -0.702 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)NC[C@@H]2CCC[C@H]2O)CC1 ZINC000831689193 604077972 /nfs/dbraw/zinc/07/79/72/604077972.db2.gz MGGKBWAFHSMXGE-NWDGAFQWSA-N -1 0 314.386 -0.258 20 0 DBADRM O=C([O-])NCCCOC1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000832621591 604078228 /nfs/dbraw/zinc/07/82/28/604078228.db2.gz RHRCKOHOEPNPSR-LLVKDONJSA-N -1 0 313.354 -0.070 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000823555221 604078440 /nfs/dbraw/zinc/07/84/40/604078440.db2.gz BINXFTXLKLZBOF-GFCCVEGCSA-N -1 0 312.370 -0.591 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000825179453 604079284 /nfs/dbraw/zinc/07/92/84/604079284.db2.gz ZMAYANPETLHYPX-LURJTMIESA-N -1 0 300.344 -0.575 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCC(=O)NC(N)=O ZINC000826109304 604080362 /nfs/dbraw/zinc/08/03/62/604080362.db2.gz JTWWBLFBIUSQMV-HTRCEHHLSA-N -1 0 316.314 -0.809 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)[C@H](NC(=O)[O-])C(C)C)n1 ZINC000828546577 604083021 /nfs/dbraw/zinc/08/30/21/604083021.db2.gz DXBDYWNLBSYLAW-SNVBAGLBSA-N -1 0 314.298 -0.307 20 0 DBADRM CCN(CC(=O)OCc1nc(CC(=O)NC)no1)C(=O)[O-] ZINC000827014571 604083729 /nfs/dbraw/zinc/08/37/29/604083729.db2.gz LASMQYXWMVSEJZ-UHFFFAOYSA-N -1 0 300.271 -0.599 20 0 DBADRM O=C(COC(=O)CC1CN(C(=O)[O-])C1)NC1CCOCC1 ZINC000831503183 604088332 /nfs/dbraw/zinc/08/83/32/604088332.db2.gz JJHJNDFJNQJZGF-UHFFFAOYSA-N -1 0 300.311 -0.175 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000828656326 604089487 /nfs/dbraw/zinc/08/94/87/604089487.db2.gz QNOPQUMCYVZGIF-BDAKNGLRSA-N -1 0 315.326 -0.878 20 0 DBADRM NC(=O)C1(CNC(=O)CC2(NC(=O)[O-])CCC2)CCOCC1 ZINC000831166263 604092760 /nfs/dbraw/zinc/09/27/60/604092760.db2.gz BWYDIDJHCGJCQI-UHFFFAOYSA-N -1 0 313.354 -0.035 20 0 DBADRM Cn1c(=O)cc(COC(=O)CC2CN(C(=O)[O-])C2)n(C)c1=O ZINC000830973900 604099103 /nfs/dbraw/zinc/09/91/03/604099103.db2.gz BTTGLAUXZPNWCD-UHFFFAOYSA-N -1 0 311.294 -0.873 20 0 DBADRM COCC(=O)NC1CCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])CC1 ZINC000828880862 604100745 /nfs/dbraw/zinc/10/07/45/604100745.db2.gz POUVHVIBGUGOEF-JTQLQIEISA-N -1 0 315.370 -0.014 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000827480138 604105067 /nfs/dbraw/zinc/10/50/67/604105067.db2.gz GNOYUWVFUMFBBL-LLVKDONJSA-N -1 0 308.356 -0.141 20 0 DBADRM O=C([O-])NC[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000832582156 604111508 /nfs/dbraw/zinc/11/15/08/604111508.db2.gz BXUPBUWJRDGNNQ-NXEZZACHSA-N -1 0 321.337 -0.121 20 0 DBADRM CN(CCNC(=O)N1CCc2nn(C)c(=O)cc2C1)C(=O)[O-] ZINC000828324241 604113500 /nfs/dbraw/zinc/11/35/00/604113500.db2.gz LVKLVQZVMGTDKX-UHFFFAOYSA-N -1 0 309.326 -0.542 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000828298868 604114527 /nfs/dbraw/zinc/11/45/27/604114527.db2.gz XSRPCQPBHJNGEN-SECBINFHSA-N -1 0 309.326 -0.121 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000828551862 604116232 /nfs/dbraw/zinc/11/62/32/604116232.db2.gz JSXOHVLINVHELH-JVXZTZIISA-N -1 0 301.299 -0.236 20 0 DBADRM CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000828551861 604116344 /nfs/dbraw/zinc/11/63/44/604116344.db2.gz JSXOHVLINVHELH-JMCQJSRRSA-N -1 0 301.299 -0.236 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000824847496 604120737 /nfs/dbraw/zinc/12/07/37/604120737.db2.gz IHXGUVBOUPGHDT-NXEZZACHSA-N -1 0 321.399 -0.228 20 0 DBADRM CC(C)(CNC(=O)NCCCN1C(=O)CNC1=O)NC(=O)[O-] ZINC000823936555 604121908 /nfs/dbraw/zinc/12/19/08/604121908.db2.gz HONRNFIIFODRDR-UHFFFAOYSA-N -1 0 315.330 -0.726 20 0 DBADRM Cn1cnc2cc(NC(=O)C(=O)NCCNC(=O)[O-])ccc21 ZINC000831041709 604125687 /nfs/dbraw/zinc/12/56/87/604125687.db2.gz YEEMHCKYJRIVPL-UHFFFAOYSA-N -1 0 305.294 -0.104 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000824854227 604129202 /nfs/dbraw/zinc/12/92/02/604129202.db2.gz IGABTJVUKHEXLT-SECBINFHSA-N -1 0 307.372 -0.616 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000827476039 604131516 /nfs/dbraw/zinc/13/15/16/604131516.db2.gz SBIFXMZCIDQIIH-SECBINFHSA-N -1 0 309.388 -0.322 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1cccn(C)c1=O ZINC000824952372 604145269 /nfs/dbraw/zinc/14/52/69/604145269.db2.gz OIODFXCYXNHDMV-MRVPVSSYSA-N -1 0 310.310 -0.562 20 0 DBADRM Cn1cccc(NC(=O)C(=O)NC[C@H]2CCCN2C(=O)[O-])c1=O ZINC000831022582 604146766 /nfs/dbraw/zinc/14/67/66/604146766.db2.gz KQKUKYWAKINRQX-SECBINFHSA-N -1 0 322.321 -0.418 20 0 DBADRM Cn1cccc(NC(=O)C(=O)NCC(C)(C)NC(=O)[O-])c1=O ZINC000831022875 604148288 /nfs/dbraw/zinc/14/82/88/604148288.db2.gz RHUAJOLTSMLFJY-UHFFFAOYSA-N -1 0 310.310 -0.514 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC000825187068 604149434 /nfs/dbraw/zinc/14/94/34/604149434.db2.gz XXVJHVMFENFFOT-SECBINFHSA-N -1 0 309.322 -0.068 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCN(CCO)CC1 ZINC000826099162 604158966 /nfs/dbraw/zinc/15/89/66/604158966.db2.gz ADQWUDXZWNLWBB-WDEREUQCSA-N -1 0 315.370 -0.374 20 0 DBADRM O=C([O-])N(CC(=O)N1CCN(CCO)CC1)C[C@@H]1CCCO1 ZINC000831820698 604160182 /nfs/dbraw/zinc/16/01/82/604160182.db2.gz LZVIIPUGINNQSC-LBPRGKRZSA-N -1 0 315.370 -0.718 20 0 DBADRM Cn1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])n1 ZINC000831022900 604166425 /nfs/dbraw/zinc/16/64/25/604166425.db2.gz RVGHKUCHNLCAOP-BDAKNGLRSA-N -1 0 309.326 -0.089 20 0 DBADRM O=C([O-])N1CC[C@@H](CCNC(=O)N2CCO[C@@H](CO)C2)C1 ZINC000831874752 604172102 /nfs/dbraw/zinc/17/21/02/604172102.db2.gz OEFNTNMTXCKNKU-GHMZBOCLSA-N -1 0 301.343 -0.221 20 0 DBADRM Cc1cc(CC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000830031149 604175076 /nfs/dbraw/zinc/17/50/76/604175076.db2.gz SJPKDLSMINIBCF-UHFFFAOYSA-N -1 0 309.326 -0.801 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000824834506 604177680 /nfs/dbraw/zinc/17/76/80/604177680.db2.gz YNLMWKVFOMMIEV-BDAKNGLRSA-N -1 0 307.372 -0.618 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000824881273 604182316 /nfs/dbraw/zinc/18/23/16/604182316.db2.gz WEIKXEROQDWIGF-ZCFIWIBFSA-N -1 0 320.327 -0.201 20 0 DBADRM C[C@@H](COC(=O)C1CCN(S(N)(=O)=O)CC1)NC(=O)[O-] ZINC000824988594 604201356 /nfs/dbraw/zinc/20/13/56/604201356.db2.gz SVOIYQPSRAOMMY-ZETCQYMHSA-N -1 0 309.344 -0.899 20 0 DBADRM C[C@H](COC(=O)C1CCN(S(N)(=O)=O)CC1)NC(=O)[O-] ZINC000824988593 604201471 /nfs/dbraw/zinc/20/14/71/604201471.db2.gz SVOIYQPSRAOMMY-SSDOTTSWSA-N -1 0 309.344 -0.899 20 0 DBADRM C[C@H](COC(=O)[C@@H]1CCCCN1S(C)(=O)=O)NC(=O)[O-] ZINC000824986239 604207047 /nfs/dbraw/zinc/20/70/47/604207047.db2.gz FZUXCJKNIUVPTP-BDAKNGLRSA-N -1 0 308.356 0.000 20 0 DBADRM C[C@@H](COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)NC(=O)[O-] ZINC000824989412 604208647 /nfs/dbraw/zinc/20/86/47/604208647.db2.gz YISGDDFRFGISCX-LGYSABEFSA-N -1 0 311.294 -0.704 20 0 DBADRM CNC(=O)CN1CCN(C(=O)CC2(NC(=O)[O-])CCC2)CC1 ZINC000828542693 604217344 /nfs/dbraw/zinc/21/73/44/604217344.db2.gz NCBOMYSGGYQGLI-UHFFFAOYSA-N -1 0 312.370 -0.543 20 0 DBADRM O=C([O-])N(CC(=O)N1CCCS1(=O)=O)C[C@H]1CCCO1 ZINC000831819913 604220199 /nfs/dbraw/zinc/22/01/99/604220199.db2.gz BCOJHKVCRUHSGY-SECBINFHSA-N -1 0 306.340 -0.293 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000825211530 604225301 /nfs/dbraw/zinc/22/53/01/604225301.db2.gz QTDFPVCQUZUBGP-IUCAKERBSA-N -1 0 312.326 -0.567 20 0 DBADRM CCN(CCNS(=O)(=O)N(C)CCC(=O)OC)C(=O)[O-] ZINC000827150412 604229516 /nfs/dbraw/zinc/22/95/16/604229516.db2.gz FZMOFGQBWRBYDT-UHFFFAOYSA-N -1 0 311.360 -0.684 20 0 DBADRM CC(C)c1nnnn1CC(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000824510916 604229676 /nfs/dbraw/zinc/22/96/76/604229676.db2.gz LMFJGIXYHJENDO-VIFPVBQESA-N -1 0 311.298 -0.339 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000828671691 604229969 /nfs/dbraw/zinc/22/99/69/604229969.db2.gz XWDCWZHOMRPUCN-SECBINFHSA-N -1 0 323.371 -0.590 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000826108837 604230725 /nfs/dbraw/zinc/23/07/25/604230725.db2.gz HLMMLQDISWETIA-DOLQZWNJSA-N -1 0 302.327 -0.556 20 0 DBADRM O=C([O-])NC1(C(=O)N2C[C@H](O)C[C@H](O)C2)Cc2ccccc2C1 ZINC000832155678 604231549 /nfs/dbraw/zinc/23/15/49/604231549.db2.gz MFXFWZGEKXHLCV-BETUJISGSA-N -1 0 320.345 -0.254 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000825016464 604249898 /nfs/dbraw/zinc/24/98/98/604249898.db2.gz QOQIXDSXOUJGBU-IONNQARKSA-N -1 0 307.324 -0.468 20 0 DBADRM CNC(=O)N1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828552548 604266439 /nfs/dbraw/zinc/26/64/39/604266439.db2.gz SUBQQHXSPLFHOZ-SNVBAGLBSA-N -1 0 314.342 -0.761 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000831485458 604270465 /nfs/dbraw/zinc/27/04/65/604270465.db2.gz RTAMLDLIMNWNQJ-SNVBAGLBSA-N -1 0 321.337 -0.795 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000831485457 604270518 /nfs/dbraw/zinc/27/05/18/604270518.db2.gz RTAMLDLIMNWNQJ-JTQLQIEISA-N -1 0 321.337 -0.795 20 0 DBADRM CNC(=O)[C@H](C)CN(C)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828527308 604271740 /nfs/dbraw/zinc/27/17/40/604271740.db2.gz YYOKZQROKKTEKM-ZJUUUORDSA-N -1 0 301.343 -0.404 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000831645529 604273231 /nfs/dbraw/zinc/27/32/31/604273231.db2.gz CCFBMHBWRZXGMP-RKDXNWHRSA-N -1 0 305.356 -0.385 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000829670007 604274300 /nfs/dbraw/zinc/27/43/00/604274300.db2.gz SUXBRVLEMJHUMF-VIFPVBQESA-N -1 0 320.367 -0.694 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N(C)C2CCN(C(=O)[O-])CC2)nn1 ZINC000825528510 604274634 /nfs/dbraw/zinc/27/46/34/604274634.db2.gz OMNJQNHENHFRHZ-VIFPVBQESA-N -1 0 311.342 -0.068 20 0 DBADRM C[C@]1([C@H]2CCCN(c3ccc(C(=O)[O-])nn3)C2)NC(=O)NC1=O ZINC000828087639 604275228 /nfs/dbraw/zinc/27/52/28/604275228.db2.gz CZORVOAPDYBXFT-RMLUDKJBSA-N -1 0 319.321 -0.011 20 0 DBADRM NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831173777 604275834 /nfs/dbraw/zinc/27/58/34/604275834.db2.gz OJHYLHNNVMYQRN-MXWKQRLJSA-N -1 0 313.354 -0.084 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)NC[C@H]1CCCS1(=O)=O)C1CC1 ZINC000832428913 604276659 /nfs/dbraw/zinc/27/66/59/604276659.db2.gz XRUIMMFUMUNASO-ZJUUUORDSA-N -1 0 319.383 -0.091 20 0 DBADRM C[C@H](O)c1cn(CC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)nn1 ZINC000825528242 604278614 /nfs/dbraw/zinc/27/86/14/604278614.db2.gz LCAQNKFIIUCQLD-VHSXEESVSA-N -1 0 311.342 -0.162 20 0 DBADRM C[C@H](O)c1cn(CC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)nn1 ZINC000825528241 604278628 /nfs/dbraw/zinc/27/86/28/604278628.db2.gz LCAQNKFIIUCQLD-UWVGGRQHSA-N -1 0 311.342 -0.162 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)nn1 ZINC000825528859 604278650 /nfs/dbraw/zinc/27/86/50/604278650.db2.gz URFOKQSEDPRJBC-VHSXEESVSA-N -1 0 311.342 -0.068 20 0 DBADRM COC(=O)CN(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000828674837 604278851 /nfs/dbraw/zinc/27/88/51/604278851.db2.gz HDOTXSTYNPDVSC-JTQLQIEISA-N -1 0 300.311 -0.081 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@@H](CO)Cc2ccco2)nn1 ZINC000833122250 604279454 /nfs/dbraw/zinc/27/94/54/604279454.db2.gz UUTBYYDARNPTOJ-VIFPVBQESA-N -1 0 308.294 -0.463 20 0 DBADRM CC(C)(C)[C@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C(N)=O ZINC000823839545 604282970 /nfs/dbraw/zinc/28/29/70/604282970.db2.gz ZXEAMHJVZQPUGU-PSASIEDQSA-N -1 0 301.343 -0.229 20 0 DBADRM NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831173699 604292307 /nfs/dbraw/zinc/29/23/07/604292307.db2.gz NQQIVACFCANQIW-MXWKQRLJSA-N -1 0 313.354 -0.084 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)C[C@H]2COC(=O)C2)CCO1 ZINC000825302808 604302116 /nfs/dbraw/zinc/30/21/16/604302116.db2.gz SQBGPJBWPVHENQ-IVZWLZJFSA-N -1 0 300.311 -0.177 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000827851800 604303155 /nfs/dbraw/zinc/30/31/55/604303155.db2.gz MLUSPQAGRZWZHQ-ZJUUUORDSA-N -1 0 319.383 -0.043 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NC[C@@H](O)COc2ccccc2)C1 ZINC000831622541 604303983 /nfs/dbraw/zinc/30/39/83/604303983.db2.gz WPIBXXKQGOKXBI-YPMHNXCESA-N -1 0 324.333 -0.079 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NC[C@H](O)COc2ccccc2)C1 ZINC000831622538 604304062 /nfs/dbraw/zinc/30/40/62/604304062.db2.gz WPIBXXKQGOKXBI-AAEUAGOBSA-N -1 0 324.333 -0.079 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)CNC(=O)c2cccnc2)CCO1 ZINC000833216419 604304347 /nfs/dbraw/zinc/30/43/47/604304347.db2.gz PHLGAMJZAHZHQY-NSHDSACASA-N -1 0 307.306 -0.487 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCN3C(=O)OC[C@H]3C2)C1 ZINC000832068630 604309158 /nfs/dbraw/zinc/30/91/58/604309158.db2.gz CZAGFMUJOZPNLM-ZJUUUORDSA-N -1 0 313.310 -0.582 20 0 DBADRM COc1cc2c(nn1)CCN(C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])C2 ZINC000829226388 604310281 /nfs/dbraw/zinc/31/02/81/604310281.db2.gz YMJNBJLHLFJIPQ-GXSJLCMTSA-N -1 0 322.321 -0.517 20 0 DBADRM COc1cc2c(nn1)CCN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])C2 ZINC000829226409 604310421 /nfs/dbraw/zinc/31/04/21/604310421.db2.gz YMJNBJLHLFJIPQ-ONGXEEELSA-N -1 0 322.321 -0.517 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000231024427 604312232 /nfs/dbraw/zinc/31/22/32/604312232.db2.gz DAGIMUZSVUVSSJ-UHFFFAOYSA-N -1 0 317.367 -0.001 20 0 DBADRM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CC(O)C3)cc2)[nH]1 ZINC000833265191 604312537 /nfs/dbraw/zinc/31/25/37/604312537.db2.gz WZYZLNYLAPRTRW-UHFFFAOYSA-N -1 0 317.301 -0.391 20 0 DBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CCNC(=O)[O-] ZINC000826691101 604323115 /nfs/dbraw/zinc/32/31/15/604323115.db2.gz OIVKIXCPGQYROM-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000827334118 604323794 /nfs/dbraw/zinc/32/37/94/604323794.db2.gz OUSIRQWMYOMYNO-GARJFASQSA-N -1 0 314.338 -0.099 20 0 DBADRM CCOC(=O)[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000829832412 604326991 /nfs/dbraw/zinc/32/69/91/604326991.db2.gz FPIBKSCRWVNKQC-VIFPVBQESA-N -1 0 310.310 -0.222 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000829832411 604328888 /nfs/dbraw/zinc/32/88/88/604328888.db2.gz FPIBKSCRWVNKQC-SECBINFHSA-N -1 0 310.310 -0.222 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000828671100 604336407 /nfs/dbraw/zinc/33/64/07/604336407.db2.gz QLQWIHKQOYLAHC-MRVPVSSYSA-N -1 0 309.344 -0.932 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)NC1CCC(C(=O)NC(N)=O)CC1 ZINC000825176902 604343739 /nfs/dbraw/zinc/34/37/39/604343739.db2.gz DAKRVVYNMMNMNR-JECWYVHBSA-N -1 0 300.315 -0.488 20 0 DBADRM CCN(CCNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)C(=O)[O-] ZINC000827145881 604350744 /nfs/dbraw/zinc/35/07/44/604350744.db2.gz GRKYMHZIJXCURT-DTWKUNHWSA-N -1 0 302.331 -0.682 20 0 DBADRM COCc1nn(CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c(=O)o1 ZINC000829055916 604350825 /nfs/dbraw/zinc/35/08/25/604350825.db2.gz QQBUZTSLAJDRKA-IUCAKERBSA-N -1 0 300.315 -0.082 20 0 DBADRM CN(CCCNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1)C(=O)[O-] ZINC000828294085 604351974 /nfs/dbraw/zinc/35/19/74/604351974.db2.gz URMVXNSISUYUCW-RKDXNWHRSA-N -1 0 302.331 -0.682 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000167243961 604352632 /nfs/dbraw/zinc/35/26/32/604352632.db2.gz YWTRDRYCZCCELX-JQWIXIFHSA-N -1 0 300.355 -0.609 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000826027175 604354203 /nfs/dbraw/zinc/35/42/03/604354203.db2.gz RLQJZJQFBZIFBS-BBBLOLIVSA-N -1 0 314.342 -0.587 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000828298166 604354593 /nfs/dbraw/zinc/35/45/93/604354593.db2.gz OOWKPBVRDDSDRC-RKDXNWHRSA-N -1 0 302.331 -0.682 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@@H](NC(=O)[O-])C2)O1 ZINC000831173951 604355291 /nfs/dbraw/zinc/35/52/91/604355291.db2.gz PLGFQBPWZCZTIF-BBBLOLIVSA-N -1 0 314.342 -0.539 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000830122658 604355372 /nfs/dbraw/zinc/35/53/72/604355372.db2.gz OGYYFYNMDHGDFV-JTQLQIEISA-N -1 0 309.322 -0.022 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC(NC(=O)[O-])CC2)O1 ZINC000831171919 604356516 /nfs/dbraw/zinc/35/65/16/604356516.db2.gz GSGJQNKHAJPGED-UWVGGRQHSA-N -1 0 314.342 -0.539 20 0 DBADRM O=C([O-])N[C@@H]1CCN(CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000740594568 604370463 /nfs/dbraw/zinc/37/04/63/604370463.db2.gz QCOFSVSYWOWPNL-ZCFIWIBFSA-N -1 0 312.248 -0.284 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc(CNC(=O)[O-])o2)O1 ZINC000831171531 604379403 /nfs/dbraw/zinc/37/94/03/604379403.db2.gz DWZHVSCXKBVYKS-CBAPKCEASA-N -1 0 311.294 -0.190 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000826721138 604393468 /nfs/dbraw/zinc/39/34/68/604393468.db2.gz PNLNMUJQQASPIH-RWEMILLDSA-N -1 0 301.343 -0.038 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)cn1C ZINC000050253212 604394053 /nfs/dbraw/zinc/39/40/53/604394053.db2.gz IYJDCGGMKLGNID-UHFFFAOYSA-N -1 0 302.356 -0.881 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)C2CCC(NC(=O)[O-])CC2)O1 ZINC000831174765 604394702 /nfs/dbraw/zinc/39/47/02/604394702.db2.gz ZEFSPDWUZRVEFD-TVUZUIDESA-N -1 0 313.354 -0.038 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000829730218 604394844 /nfs/dbraw/zinc/39/48/44/604394844.db2.gz LJRFVFWAFIVWCN-CIUDSAMLSA-N -1 0 319.383 -0.475 20 0 DBADRM CN1CCN(C(=O)[C@H]2CSC(=O)N2)[C@@H](CNC(=O)[O-])C1 ZINC000828496492 604396174 /nfs/dbraw/zinc/39/61/74/604396174.db2.gz XKMHJOZZVIGGNE-JGVFFNPUSA-N -1 0 302.356 -0.778 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000827016976 604400419 /nfs/dbraw/zinc/40/04/19/604400419.db2.gz USSICKDBLLLXDT-MNOVXSKESA-N -1 0 317.386 -0.611 20 0 DBADRM COC(=O)N(C)CC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000828700808 604400502 /nfs/dbraw/zinc/40/05/02/604400502.db2.gz ZMCMZPAZHBTXIA-VIFPVBQESA-N -1 0 302.331 -0.905 20 0 DBADRM CN1CCN(C(=O)[C@H](O)C2CCOCC2)[C@H](CNC(=O)[O-])C1 ZINC000828489632 604402429 /nfs/dbraw/zinc/40/24/29/604402429.db2.gz UOXRTYFRDRHBEJ-VXGBXAGGSA-N -1 0 315.370 -0.816 20 0 DBADRM CCN1C[C@@H](C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])CC1=O ZINC000827201377 604404156 /nfs/dbraw/zinc/40/41/56/604404156.db2.gz XKFKYSHHKJAVGK-QWRGUYRKSA-N -1 0 312.370 -0.735 20 0 DBADRM Cc1cc(=O)c(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])c[nH]1 ZINC000829901355 604406895 /nfs/dbraw/zinc/40/68/95/604406895.db2.gz ZMHZMZPGZGLJHN-SNVBAGLBSA-N -1 0 308.338 -0.293 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000828618646 604407338 /nfs/dbraw/zinc/40/73/38/604407338.db2.gz PBMLPSUDVSPYIR-MWODSPESSA-N -1 0 300.311 -0.489 20 0 DBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)NC1(C(N)=O)CC1 ZINC000831934696 604408373 /nfs/dbraw/zinc/40/83/73/604408373.db2.gz UBQLEPGOAXPGKZ-UHFFFAOYSA-N -1 0 320.348 -0.249 20 0 DBADRM CCOC(=O)[C@H](C)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000829822546 604410123 /nfs/dbraw/zinc/41/01/23/604410123.db2.gz JJMDXEJFXUJKRB-SECBINFHSA-N -1 0 322.383 -0.183 20 0 DBADRM COC(=O)[C@@H](C)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000831059335 604410467 /nfs/dbraw/zinc/41/04/67/604410467.db2.gz FWPFSVKJCMFTRS-QMMMGPOBSA-N -1 0 308.356 -0.574 20 0 DBADRM CN1CCN(C(=O)CCCS(C)(=O)=O)[C@H](CNC(=O)[O-])C1 ZINC000828496401 604411614 /nfs/dbraw/zinc/41/16/14/604411614.db2.gz VJXAMMBLDMPLRB-SNVBAGLBSA-N -1 0 321.399 -0.779 20 0 DBADRM COC(=O)N1CC(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC000831199152 604414154 /nfs/dbraw/zinc/41/41/54/604414154.db2.gz ZSCHOYZFWXZXMT-UHFFFAOYSA-N -1 0 317.323 -0.548 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN([C@H]2CC(=O)N(C3CC3)C2=O)CCO1 ZINC000825344212 604417393 /nfs/dbraw/zinc/41/73/93/604417393.db2.gz NCNZBWOJVTVSIL-LSJOCFKGSA-N -1 0 311.338 -0.367 20 0 DBADRM C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000827747850 604418569 /nfs/dbraw/zinc/41/85/69/604418569.db2.gz VBXXNZMABJHFHG-KWQFWETISA-N -1 0 317.367 -0.290 20 0 DBADRM NC(=O)NCCC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000833085147 604420817 /nfs/dbraw/zinc/42/08/17/604420817.db2.gz ARXCEHUREBPTES-UHFFFAOYSA-N -1 0 308.294 -0.502 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CN1CC[C@@H](NC(=O)[O-])C1 ZINC000738702185 604430510 /nfs/dbraw/zinc/43/05/10/604430510.db2.gz VJBKPPHGJYYRFD-SECBINFHSA-N -1 0 300.359 -0.641 20 0 DBADRM O=C([O-])N[C@@H]1CCN(CC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000740595832 604433223 /nfs/dbraw/zinc/43/32/23/604433223.db2.gz WDNAGPFVOKFLKL-LLVKDONJSA-N -1 0 313.354 -0.306 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(Cn2nc3ccccn3c2=O)CCO1 ZINC000825358341 604434633 /nfs/dbraw/zinc/43/46/33/604434633.db2.gz GAJYYZFRSIMXGZ-MNOVXSKESA-N -1 0 321.337 -0.190 20 0 DBADRM COC(=O)c1cn(CN2CCO[C@H]([C@H](C)NC(=O)[O-])C2)nn1 ZINC000828803638 604436642 /nfs/dbraw/zinc/43/66/42/604436642.db2.gz DAXDSQJAWTXLTE-WPRPVWTQSA-N -1 0 313.314 -0.621 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2cc[nH]c(=O)c2)CC1 ZINC000831616424 604439256 /nfs/dbraw/zinc/43/92/56/604439256.db2.gz WSUVDXHPUSVCSW-UHFFFAOYSA-N -1 0 308.294 -0.661 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CN1CSCC1=O ZINC000827000088 604439999 /nfs/dbraw/zinc/43/99/99/604439999.db2.gz ARFJRBWUOVTPDY-VIFPVBQESA-N -1 0 304.368 -0.144 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CN1CSCC1=O ZINC000827000087 604440068 /nfs/dbraw/zinc/44/00/68/604440068.db2.gz ARFJRBWUOVTPDY-SECBINFHSA-N -1 0 304.368 -0.144 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)C2(NC(=O)[O-])CC2)C1 ZINC000829683233 604440587 /nfs/dbraw/zinc/44/05/87/604440587.db2.gz PSWGIZSNCCYZQU-QMMMGPOBSA-N -1 0 305.356 -0.673 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000826996088 604444054 /nfs/dbraw/zinc/44/40/54/604444054.db2.gz RSBVGILZLPWBOU-IUCAKERBSA-N -1 0 310.372 -0.739 20 0 DBADRM CCn1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)OC)nc1C ZINC000833681795 604463589 /nfs/dbraw/zinc/46/35/89/604463589.db2.gz HUXXBYAEKXPVLB-UHFFFAOYSA-N -1 0 319.339 -0.540 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000740584867 604468140 /nfs/dbraw/zinc/46/81/40/604468140.db2.gz AICPVAPQAPAYNX-SECBINFHSA-N -1 0 317.305 -0.340 20 0 DBADRM O=C([O-])NC1(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000832168020 604471817 /nfs/dbraw/zinc/47/18/17/604471817.db2.gz NXNCMXORHBOGAK-UHFFFAOYSA-N -1 0 319.383 -0.378 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)s1 ZINC000740341737 604472259 /nfs/dbraw/zinc/47/22/59/604472259.db2.gz VEOLKPPULSSWNJ-ZCFIWIBFSA-N -1 0 319.364 -0.122 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739993244 604474638 /nfs/dbraw/zinc/47/46/38/604474638.db2.gz XQMYJJSJYOPKHH-ZJUUUORDSA-N -1 0 319.383 -0.331 20 0 DBADRM O=C([O-])NC1(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000832155734 604481309 /nfs/dbraw/zinc/48/13/09/604481309.db2.gz NWAUNGNSTTXMRX-JTQLQIEISA-N -1 0 311.338 -0.317 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)c2cnc3n(c2=O)CCS3)C1 ZINC000740591841 604483307 /nfs/dbraw/zinc/48/33/07/604483307.db2.gz APFOVOJEJPYALU-SSDOTTSWSA-N -1 0 310.335 -0.169 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)C3(NC(=O)[O-])CC3)CC2)n1C ZINC000830887212 604488619 /nfs/dbraw/zinc/48/86/19/604488619.db2.gz CUZKVUCFAYASDS-UHFFFAOYSA-N -1 0 322.369 -0.432 20 0 DBADRM CCN(CC)S(=O)(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827045006 604491530 /nfs/dbraw/zinc/49/15/30/604491530.db2.gz FMPNDFUJHKHBJV-UWVGGRQHSA-N -1 0 309.388 -0.070 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)CCO1 ZINC000825359095 604492785 /nfs/dbraw/zinc/49/27/85/604492785.db2.gz JJJPCCMBPCKSAJ-HBNTYKKESA-N -1 0 322.383 -0.290 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000830131116 604510800 /nfs/dbraw/zinc/51/08/00/604510800.db2.gz SFPFQHLZLUFXFZ-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@]2(O)CCOC2)cs1 ZINC000227115167 604511168 /nfs/dbraw/zinc/51/11/68/604511168.db2.gz GIVBIBUMHZEAES-JTQLQIEISA-N -1 0 307.349 -0.124 20 0 DBADRM O=C([O-])NC1(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)CC1 ZINC000832162655 604521484 /nfs/dbraw/zinc/52/14/84/604521484.db2.gz QNWZDXSCICSPKA-WPPNPWJKSA-N -1 0 310.310 -0.719 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)N2CCN3C(=O)OC[C@H]3C2)C1 ZINC000831894220 604522353 /nfs/dbraw/zinc/52/23/53/604522353.db2.gz GVZLVLQRSFBTPF-PRHODGIISA-N -1 0 301.274 -0.259 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)N2CCN3C(=O)OC[C@@H]3C2)C1 ZINC000831894222 604522667 /nfs/dbraw/zinc/52/26/67/604522667.db2.gz GVZLVLQRSFBTPF-QPUJVOFHSA-N -1 0 301.274 -0.259 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCc2ccnn2C)CCO1 ZINC000825317743 604533573 /nfs/dbraw/zinc/53/35/73/604533573.db2.gz JQZXBNVWTLDEAW-ONGXEEELSA-N -1 0 311.342 -0.013 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCS(=O)(=O)CC2CC2)CCO1 ZINC000819310548 604539645 /nfs/dbraw/zinc/53/96/45/604539645.db2.gz BJYIYMUPZVYTQO-JTQLQIEISA-N -1 0 320.367 -0.694 20 0 DBADRM COCCOCCNC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000829001541 604541713 /nfs/dbraw/zinc/54/17/13/604541713.db2.gz AUUFDQFRVQCFPZ-QWRGUYRKSA-N -1 0 319.358 -0.284 20 0 DBADRM COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCNC(=O)[O-] ZINC000829056406 604545054 /nfs/dbraw/zinc/54/50/54/604545054.db2.gz WNHZQSORRRNLQV-QMMMGPOBSA-N -1 0 312.330 -0.174 20 0 DBADRM C[C@@H]1CN(c2ncnc(N3C[C@H](C)[C@H](O)C3)c2C(=O)[O-])C[C@H]1O ZINC000833633562 604546734 /nfs/dbraw/zinc/54/67/34/604546734.db2.gz BNCUMMDMVJCZLI-LMLFDSFASA-N -1 0 322.365 -0.191 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)C1(NC(=O)[O-])CC1)CC2 ZINC000829049927 604547374 /nfs/dbraw/zinc/54/73/74/604547374.db2.gz MGUXMOSSONENQJ-QMMMGPOBSA-N -1 0 309.326 -0.344 20 0 DBADRM Cc1[nH]c(C(=O)NC[C@@H](C)S(N)(=O)=O)c(C)c1C(=O)[O-] ZINC000833740222 604555871 /nfs/dbraw/zinc/55/58/71/604555871.db2.gz PVEWDETYTYUSAD-RXMQYKEDSA-N -1 0 303.340 -0.263 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000262225836 604556759 /nfs/dbraw/zinc/55/67/59/604556759.db2.gz XRBMPINNCDGVIH-JTQLQIEISA-N -1 0 310.372 -0.832 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCC(=O)N(C)C)CCO1 ZINC000825309197 604559468 /nfs/dbraw/zinc/55/94/68/604559468.db2.gz INVQASJBBKJIHF-UWVGGRQHSA-N -1 0 316.358 -0.469 20 0 DBADRM CN(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)cn1 ZINC000739617784 604566137 /nfs/dbraw/zinc/56/61/37/604566137.db2.gz JJYLPDDZXMIZFA-SNVBAGLBSA-N -1 0 321.337 -0.045 20 0 DBADRM COc1ccncc1NC(=O)C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739984027 604572094 /nfs/dbraw/zinc/57/20/94/604572094.db2.gz KRYXYVRYJMIBAR-MRVPVSSYSA-N -1 0 308.294 -0.103 20 0 DBADRM C[C@@H](CC(=O)NN1CC(=O)NC1=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824672194 604577949 /nfs/dbraw/zinc/57/79/49/604577949.db2.gz SSPDWKOARFKUFL-IUCAKERBSA-N -1 0 312.326 -0.014 20 0 DBADRM C[C@@H](CC(=O)NN1CC(=O)NC1=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824672193 604578022 /nfs/dbraw/zinc/57/80/22/604578022.db2.gz SSPDWKOARFKUFL-DTWKUNHWSA-N -1 0 312.326 -0.014 20 0 DBADRM Cn1cc(/C=C\C(=O)N2CCC[C@@H]2CC(=O)[O-])c(=O)n(C)c1=O ZINC000833043573 604580198 /nfs/dbraw/zinc/58/01/98/604580198.db2.gz CRXJSLJHWSRJPN-ISALQUGTSA-N -1 0 321.333 -0.437 20 0 DBADRM COCCN1CCN(C(=O)CCCN(C)C(=O)[O-])CC1=O ZINC000833725041 604584244 /nfs/dbraw/zinc/58/42/44/604584244.db2.gz YFTMBCZQIVRXEN-UHFFFAOYSA-N -1 0 301.343 -0.306 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000827243291 604585712 /nfs/dbraw/zinc/58/57/12/604585712.db2.gz XLNJLEPYOBWGDD-ZJUUUORDSA-N -1 0 314.342 -0.715 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000827243288 604585734 /nfs/dbraw/zinc/58/57/34/604585734.db2.gz XLNJLEPYOBWGDD-VHSXEESVSA-N -1 0 314.342 -0.715 20 0 DBADRM CC(=O)N1CCCC[C@H]1C(=O)OCC(=O)NCCC(=O)[O-] ZINC000833394254 604585939 /nfs/dbraw/zinc/58/59/39/604585939.db2.gz OXCCDOXXSBEFIT-JTQLQIEISA-N -1 0 300.311 -0.479 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739191212 604598183 /nfs/dbraw/zinc/59/81/83/604598183.db2.gz RSJYBLSJBPROOI-GHMZBOCLSA-N -1 0 300.359 -0.241 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CC(=O)Nc2nncs2)CCO1 ZINC000825352802 604600356 /nfs/dbraw/zinc/60/03/56/604600356.db2.gz TUMXCQGDDDGGBL-SFYZADRCSA-N -1 0 315.355 -0.167 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739516641 604602534 /nfs/dbraw/zinc/60/25/34/604602534.db2.gz QGGLGRVFSSTEKM-RKDXNWHRSA-N -1 0 307.372 -0.139 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CC[C@@H](NC(=O)[O-])C2)O1 ZINC000831171816 604612306 /nfs/dbraw/zinc/61/23/06/604612306.db2.gz GAWRFTUPBUAFMI-VGMNWLOBSA-N -1 0 300.315 -0.929 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)N2CC[C@@H](NC(=O)[O-])C2)O1 ZINC000831171812 604612454 /nfs/dbraw/zinc/61/24/54/604612454.db2.gz GAWRFTUPBUAFMI-HRDYMLBCSA-N -1 0 300.315 -0.929 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)NC1CN(C(=O)[O-])C1 ZINC000828312675 604613576 /nfs/dbraw/zinc/61/35/76/604613576.db2.gz PJGIDDAUOTWBRM-UHFFFAOYSA-N -1 0 320.371 -0.975 20 0 DBADRM COCCc1noc(CN(C)C(=O)NC2CN(C(=O)[O-])C2)n1 ZINC000829024079 604614511 /nfs/dbraw/zinc/61/45/11/604614511.db2.gz JKZLGJOWWYNLAO-UHFFFAOYSA-N -1 0 313.314 -0.238 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CC(=O)N2CCO[C@H](C)C2)CCO1 ZINC000825983140 604620365 /nfs/dbraw/zinc/62/03/65/604620365.db2.gz HDBSSDULWGANPN-UTUOFQBUSA-N -1 0 315.370 -0.409 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CCCN2C(=O)CNC2=O)CCO1 ZINC000825350967 604626503 /nfs/dbraw/zinc/62/65/03/604626503.db2.gz MBPHZBCQRYDLDM-UWVGGRQHSA-N -1 0 314.342 -0.715 20 0 DBADRM CCN(C(=O)Cn1nc2ccccn2c1=O)C1CN(C(=O)[O-])C1 ZINC000826979582 604626696 /nfs/dbraw/zinc/62/66/96/604626696.db2.gz JPOFCJHOKWCEGT-UHFFFAOYSA-N -1 0 319.321 -0.293 20 0 DBADRM COCCCNC(=O)CN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828950417 604637358 /nfs/dbraw/zinc/63/73/58/604637358.db2.gz IJBXNROUGKDXJF-WDEREUQCSA-N -1 0 303.359 -0.504 20 0 DBADRM CCOC(=O)N1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827328518 604640885 /nfs/dbraw/zinc/64/08/85/604640885.db2.gz OFWQGSOFKOYSSL-SNVBAGLBSA-N -1 0 315.326 -0.334 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)OCCNC(=O)[O-])c(C)o1 ZINC000828580377 604651532 /nfs/dbraw/zinc/65/15/32/604651532.db2.gz ZFMBTAPPOLBXHE-UHFFFAOYSA-N -1 0 306.296 -0.079 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000832051314 604653326 /nfs/dbraw/zinc/65/33/26/604653326.db2.gz VBXJTUUSAWWPDA-LLVKDONJSA-N -1 0 311.338 -0.554 20 0 DBADRM NC(=O)c1ccc(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831223095 604653343 /nfs/dbraw/zinc/65/33/43/604653343.db2.gz VVRDVEPWQMPRJH-NSHDSACASA-N -1 0 307.306 -0.220 20 0 DBADRM CN(CCCn1ccnc1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000830781324 604654885 /nfs/dbraw/zinc/65/48/85/604654885.db2.gz WQCNUNAFSXXGRP-UHFFFAOYSA-N -1 0 304.372 -0.144 20 0 DBADRM C[C@H](OC(=O)c1cccc2c1oc(=O)n2C)C(=O)NCC(=O)[O-] ZINC000833535036 604657756 /nfs/dbraw/zinc/65/77/56/604657756.db2.gz KYTLWAWDJNFZSR-ZETCQYMHSA-N -1 0 322.273 -0.122 20 0 DBADRM CN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000827745258 604659423 /nfs/dbraw/zinc/65/94/23/604659423.db2.gz IJORRRWWQBGFCS-IUCAKERBSA-N -1 0 306.340 -0.989 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])c1=O ZINC000833055596 604659777 /nfs/dbraw/zinc/65/97/77/604659777.db2.gz GRXACNUISUPLTK-SECBINFHSA-N -1 0 307.306 -0.211 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)Oc2ccc(-n3cnnn3)cc2)C1 ZINC000833786683 604662083 /nfs/dbraw/zinc/66/20/83/604662083.db2.gz PEXVNLHZEZZUAN-NSHDSACASA-N -1 0 319.277 -0.054 20 0 DBADRM CN(CC(=O)NC(C)(C)C)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828103084 604663116 /nfs/dbraw/zinc/66/31/16/604663116.db2.gz YKUMNKFDXIBUFF-SECBINFHSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCN2CCOCC2)CCO1 ZINC000825302923 604665349 /nfs/dbraw/zinc/66/53/49/604665349.db2.gz TZENGKODKMFXHW-RYUDHWBXSA-N -1 0 315.370 -0.408 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)Nc2cccc(-n3cnnn3)c2)C1 ZINC000831778655 604666371 /nfs/dbraw/zinc/66/63/71/604666371.db2.gz UCELXFMRWJBKHP-LLVKDONJSA-N -1 0 318.293 -0.020 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000262040896 604668848 /nfs/dbraw/zinc/66/88/48/604668848.db2.gz CSYOZLACDWXEMH-VIFPVBQESA-N -1 0 310.372 -0.879 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000833090864 604668859 /nfs/dbraw/zinc/66/88/59/604668859.db2.gz JZTFVUOBJWKHFR-QMMMGPOBSA-N -1 0 304.310 -0.126 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCO1 ZINC000825335020 604673673 /nfs/dbraw/zinc/67/36/73/604673673.db2.gz LPLVKCPHACLLSY-LDYMZIIASA-N -1 0 322.321 -0.322 20 0 DBADRM NC(=O)[C@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1ccccc1 ZINC000831167897 604674571 /nfs/dbraw/zinc/67/45/71/604674571.db2.gz SEOCVVNCDKZJCJ-WDEREUQCSA-N -1 0 307.306 -0.292 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCNC(=O)c2ccccc2)C1 ZINC000831689781 604676422 /nfs/dbraw/zinc/67/64/22/604676422.db2.gz XBDWRRAQJLQZTP-LBPRGKRZSA-N -1 0 321.333 -0.089 20 0 DBADRM COC(=O)NCCC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000828714190 604678491 /nfs/dbraw/zinc/67/84/91/604678491.db2.gz QAXXMRVMPYKZCK-IUCAKERBSA-N -1 0 303.315 -0.384 20 0 DBADRM COC(=O)NCCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828714188 604678660 /nfs/dbraw/zinc/67/86/60/604678660.db2.gz QAXXMRVMPYKZCK-DTWKUNHWSA-N -1 0 303.315 -0.384 20 0 DBADRM COc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)nn1 ZINC000829277574 604678824 /nfs/dbraw/zinc/67/88/24/604678824.db2.gz UULWMHIOMRXPBN-PSASIEDQSA-N -1 0 310.310 -0.018 20 0 DBADRM COc1ccc(C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)nn1 ZINC000829277581 604678901 /nfs/dbraw/zinc/67/89/01/604678901.db2.gz UULWMHIOMRXPBN-WPRPVWTQSA-N -1 0 310.310 -0.018 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCO1 ZINC000825328983 604679332 /nfs/dbraw/zinc/67/93/32/604679332.db2.gz XYWXSQDYECOKIB-OIBJUYFYSA-N -1 0 310.310 -0.389 20 0 DBADRM CC(=O)NCCNS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833397243 604680283 /nfs/dbraw/zinc/68/02/83/604680283.db2.gz JQNOWNVOYVMJTF-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM CCN1C[C@H](C(=O)O[C@H](C)c2cn(CC(=O)[O-])nn2)CC1=O ZINC000829746432 604682504 /nfs/dbraw/zinc/68/25/04/604682504.db2.gz XLJHYOBGRIXCPP-RKDXNWHRSA-N -1 0 310.310 -0.165 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000833391876 604685622 /nfs/dbraw/zinc/68/56/22/604685622.db2.gz XYBKBXAFWZEANB-UHFFFAOYSA-N -1 0 313.335 -0.367 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC3(CC2)OCCO3)C1 ZINC000832049546 604688540 /nfs/dbraw/zinc/68/85/40/604688540.db2.gz GPNSOGFEKAILTC-SNVBAGLBSA-N -1 0 300.311 -0.269 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@H](O)CN1CCOCC1 ZINC000833469853 604688996 /nfs/dbraw/zinc/68/89/96/604688996.db2.gz ZDNAPRNHBVSHKU-WDEREUQCSA-N -1 0 303.359 -0.912 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NC[C@H]1CCS(=O)(=O)C1 ZINC000831383011 604689862 /nfs/dbraw/zinc/68/98/62/604689862.db2.gz SELXEQFMFZAICT-NXEZZACHSA-N -1 0 320.367 -0.694 20 0 DBADRM C[C@H](OC(=O)Cn1ccccc1=O)c1cn(CC(=O)[O-])nn1 ZINC000827838526 604690537 /nfs/dbraw/zinc/69/05/37/604690537.db2.gz HPSIDVBMRIFWDY-VIFPVBQESA-N -1 0 306.278 -0.171 20 0 DBADRM C[C@@H](OC(=O)c1c[nH]c(C(N)=O)c1)c1cn(CC(=O)[O-])nn1 ZINC000827845305 604690600 /nfs/dbraw/zinc/69/06/00/604690600.db2.gz WVOXNWWJYJLTLY-ZCFIWIBFSA-N -1 0 307.266 -0.292 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827471480 604690922 /nfs/dbraw/zinc/69/09/22/604690922.db2.gz IXCMLXXXOPUPAW-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2nccnc2C(N)=O)CCO1 ZINC000825342856 604692133 /nfs/dbraw/zinc/69/21/33/604692133.db2.gz FEDBDXFCNXYRPV-HTQZYQBOSA-N -1 0 323.309 -0.927 20 0 DBADRM CC(C)[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)N1CCCS1(=O)=O ZINC000262097506 604692494 /nfs/dbraw/zinc/69/24/94/604692494.db2.gz HANUBHZJBULSKD-MNOVXSKESA-N -1 0 318.395 -0.020 20 0 DBADRM CC[S@@](=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000829294632 604693381 /nfs/dbraw/zinc/69/33/81/604693381.db2.gz VESOHGMXHRFUSW-GOSISDBHSA-N -1 0 306.365 -0.173 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000823569182 604694554 /nfs/dbraw/zinc/69/45/54/604694554.db2.gz XIXLFYQXXPBGBK-WPRPVWTQSA-N -1 0 301.343 -0.215 20 0 DBADRM COC(=O)Cn1cc([C@@H](C)OC(=O)CCNC(=O)[O-])nn1 ZINC000831192928 604696783 /nfs/dbraw/zinc/69/67/83/604696783.db2.gz WFPNRWFURPEWLS-SSDOTTSWSA-N -1 0 300.271 -0.287 20 0 DBADRM Cn1cnnc1C1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831047095 604698310 /nfs/dbraw/zinc/69/83/10/604698310.db2.gz ZLZIHNLNWPBXPO-NSHDSACASA-N -1 0 323.353 -0.100 20 0 DBADRM Cc1nc(C(=O)N[C@@H](CO)C(=O)[O-])nn1-c1ccc(F)cc1 ZINC000832995240 604699758 /nfs/dbraw/zinc/69/97/58/604699758.db2.gz WIZSUXSZWYTBQR-JTQLQIEISA-N -1 0 308.269 -0.110 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)CN2CCSC2=O)nn1 ZINC000833271248 604704791 /nfs/dbraw/zinc/70/47/91/604704791.db2.gz CIAURHPGFUMSSC-UHFFFAOYSA-N -1 0 314.323 -0.383 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)[C@@H]2CC(=O)N(C3CC3)C2)nn1 ZINC000833270130 604704818 /nfs/dbraw/zinc/70/48/18/604704818.db2.gz LJZGEQHGGCMCSQ-SECBINFHSA-N -1 0 322.321 -0.541 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCCCCC(=O)[O-])nc1 ZINC000821363829 604705897 /nfs/dbraw/zinc/70/58/97/604705897.db2.gz CYUMDSIIGSYBNK-UHFFFAOYSA-N -1 0 301.324 -0.286 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NC2CCS(=O)(=O)CC2)C1 ZINC000831603483 604710522 /nfs/dbraw/zinc/71/05/22/604710522.db2.gz CDTXPHSZVNIBCY-VIFPVBQESA-N -1 0 306.340 -0.941 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NC1CCS(=O)(=O)CC1 ZINC000831383592 604710733 /nfs/dbraw/zinc/71/07/33/604710733.db2.gz WMCAKPWOHXURCX-SNVBAGLBSA-N -1 0 320.367 -0.551 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824908419 604711713 /nfs/dbraw/zinc/71/17/13/604711713.db2.gz TXDBPVGUSUZFDQ-NWDGAFQWSA-N -1 0 315.370 -0.408 20 0 DBADRM CCS(=O)(=O)CCN(C)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000833665074 604712899 /nfs/dbraw/zinc/71/28/99/604712899.db2.gz DBEMXGLLSVJESV-QMMMGPOBSA-N -1 0 301.386 -0.597 20 0 DBADRM NC(=O)NC[C@H]1CCCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831208968 604717745 /nfs/dbraw/zinc/71/77/45/604717745.db2.gz XXCIVRBIOBSIIR-NXEZZACHSA-N -1 0 314.342 -0.728 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CN(C)C(=O)C2CC2)CCO1 ZINC000825302795 604718770 /nfs/dbraw/zinc/71/87/70/604718770.db2.gz SNJXNXGNBHJBBL-MWLCHTKSSA-N -1 0 313.354 -0.262 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CSCC(N)=O)CCO1 ZINC000825301029 604722352 /nfs/dbraw/zinc/72/23/52/604722352.db2.gz HIUAFXFQTSCHOH-JGVFFNPUSA-N -1 0 305.356 -0.912 20 0 DBADRM CC(C)(C)NC(=O)NC(=O)CN1CCC(O)(C(=O)[O-])CC1 ZINC000833430944 604726055 /nfs/dbraw/zinc/72/60/55/604726055.db2.gz LGRNDOUXKRDSBK-UHFFFAOYSA-N -1 0 301.343 -0.478 20 0 DBADRM CC(C)CNC(=O)NC(=O)CN1CCC(O)(C(=O)[O-])CC1 ZINC000833489675 604726582 /nfs/dbraw/zinc/72/65/82/604726582.db2.gz RJAYWNPCIFYXSF-UHFFFAOYSA-N -1 0 301.343 -0.620 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828633932 604727172 /nfs/dbraw/zinc/72/71/72/604727172.db2.gz YBYOCUNFGAVPCR-ZJUUUORDSA-N -1 0 300.311 -0.223 20 0 DBADRM CCN1C[C@H](C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)CC1=O ZINC000827198690 604730442 /nfs/dbraw/zinc/73/04/42/604730442.db2.gz JWGKYGZGEACOBI-GMTAPVOTSA-N -1 0 313.354 -0.262 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCc2nnc3n2CCC3)C1 ZINC000831704107 604730489 /nfs/dbraw/zinc/73/04/89/604730489.db2.gz IKNAAPKZIQHFBW-SECBINFHSA-N -1 0 309.326 -0.738 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)C(=O)Nc2cccnc2)CCO1 ZINC000825295366 604743731 /nfs/dbraw/zinc/74/37/31/604743731.db2.gz UBRSJUXITQAKIF-KOLCDFICSA-N -1 0 322.321 -0.096 20 0 DBADRM CC(=O)NCC1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823578987 604748977 /nfs/dbraw/zinc/74/89/77/604748977.db2.gz CRAPCJPRKJFHIE-LBPRGKRZSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])N1CC(NC(=O)CN2CCN(c3ccccn3)CC2)C1 ZINC000831489137 604749358 /nfs/dbraw/zinc/74/93/58/604749358.db2.gz OAKRZQYHEMIACR-UHFFFAOYSA-N -1 0 319.365 -0.318 20 0 DBADRM CN(C)C(=O)CCCNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827954540 604749652 /nfs/dbraw/zinc/74/96/52/604749652.db2.gz WGYMYICPQPXOAU-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM COC(=O)C1(O)CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC000833702510 604750751 /nfs/dbraw/zinc/75/07/51/604750751.db2.gz XYFQJPREWAIZOP-UHFFFAOYSA-N -1 0 305.352 -0.279 20 0 DBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)C1(NC(=O)[O-])CC1 ZINC000831171445 604751962 /nfs/dbraw/zinc/75/19/62/604751962.db2.gz DCHQVXXQWIUUJU-QMMMGPOBSA-N -1 0 313.310 -0.804 20 0 DBADRM CN(C)C(=O)CCN1CCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000827953735 604762689 /nfs/dbraw/zinc/76/26/89/604762689.db2.gz LRNHAKHHGJGVIH-UHFFFAOYSA-N -1 0 314.386 -0.343 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC1CN(C(=O)[O-])C1 ZINC000740366498 604764289 /nfs/dbraw/zinc/76/42/89/604764289.db2.gz GEBHEUOFPBEQSA-NXEZZACHSA-N -1 0 309.322 -0.360 20 0 DBADRM CCOC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827328053 604773347 /nfs/dbraw/zinc/77/33/47/604773347.db2.gz MUAUKKAOZCXGMY-DTWKUNHWSA-N -1 0 303.315 -0.384 20 0 DBADRM O=C([O-])Cn1cc(CCS(=O)(=O)c2nccs2)nn1 ZINC000833271697 604777285 /nfs/dbraw/zinc/77/72/85/604777285.db2.gz NIWLPQXDDUEAIA-UHFFFAOYSA-N -1 0 302.337 -0.164 20 0 DBADRM CC(=O)NCCNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000823580269 604779869 /nfs/dbraw/zinc/77/98/69/604779869.db2.gz QLMJJEOOJSDILS-WCBMZHEXSA-N -1 0 302.331 -0.811 20 0 DBADRM CCS(=O)(=O)CCN(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000737887582 604784209 /nfs/dbraw/zinc/78/42/09/604784209.db2.gz OEMVQEITRAYVEM-UHFFFAOYSA-N -1 0 320.411 -0.324 20 0 DBADRM O=C(CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1)NC1CCCC1 ZINC000831381480 604787770 /nfs/dbraw/zinc/78/77/70/604787770.db2.gz KPJSUHBEBALFMR-NSHDSACASA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCCNc2ncccn2)C1 ZINC000831675993 604787857 /nfs/dbraw/zinc/78/78/57/604787857.db2.gz KJAYCMXTJHLNFL-SNVBAGLBSA-N -1 0 309.326 -0.226 20 0 DBADRM C[C@](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)(C(N)=O)c1ccccc1 ZINC000825094295 604792722 /nfs/dbraw/zinc/79/27/22/604792722.db2.gz RFWRSKVVIAKSDD-IAQYHMDHSA-N -1 0 321.333 -0.118 20 0 DBADRM CC(=O)N[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1O)C(N)=O ZINC000833398029 604797821 /nfs/dbraw/zinc/79/78/21/604797821.db2.gz WPDHTKWSZOPAKT-VIFPVBQESA-N -1 0 309.278 -0.591 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(=O)[O-])c2O)C1=O ZINC000833697528 604799250 /nfs/dbraw/zinc/79/92/50/604799250.db2.gz IDOIUMYWPASBKZ-UHFFFAOYSA-N -1 0 321.245 -0.551 20 0 DBADRM CNC(=O)C(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000230387016 604808932 /nfs/dbraw/zinc/80/89/32/604808932.db2.gz SDLJPUUQUIRKAT-UHFFFAOYSA-N -1 0 317.367 -0.226 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000832050400 604809325 /nfs/dbraw/zinc/80/93/25/604809325.db2.gz PGMQSIVDNKBMER-NSHDSACASA-N -1 0 321.337 -0.496 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCC(=O)OCC1CC1 ZINC000831381909 604813190 /nfs/dbraw/zinc/81/31/90/604813190.db2.gz NVWCUPIZKWPOFV-SNVBAGLBSA-N -1 0 300.311 -0.175 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)OCCc2cn(CC(=O)[O-])nn2)C1 ZINC000828557221 604817964 /nfs/dbraw/zinc/81/79/64/604817964.db2.gz IXUKNFYWLNOHDJ-SNVBAGLBSA-N -1 0 324.337 -0.293 20 0 DBADRM NC(=O)C1CCC(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831174123 604818952 /nfs/dbraw/zinc/81/89/52/604818952.db2.gz QSWVPRIOQSBRCA-VQXHTEKXSA-N -1 0 313.354 -0.084 20 0 DBADRM CN(C)C(=O)N1CCN(CCc2cn(CC(=O)[O-])nn2)CC1 ZINC000830563365 604820485 /nfs/dbraw/zinc/82/04/85/604820485.db2.gz INBCVKOROZXAAL-UHFFFAOYSA-N -1 0 310.358 -0.796 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000823771341 604822897 /nfs/dbraw/zinc/82/28/97/604822897.db2.gz AZLMILWUWHBYGC-VIFPVBQESA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@@H](OC(=O)c1cnc2c(c1)NC(=O)CO2)C(=O)NCC(=O)[O-] ZINC000833537243 604823716 /nfs/dbraw/zinc/82/37/16/604823716.db2.gz WAHQGVMCTKAMEN-ZCFIWIBFSA-N -1 0 323.261 -0.841 20 0 DBADRM CC1=C(C(=O)[O-])C[C@H](CN2CCN(S(C)(=O)=O)CC2)O1 ZINC000833580319 604826134 /nfs/dbraw/zinc/82/61/34/604826134.db2.gz PMNWYGQHOAIMMT-SNVBAGLBSA-N -1 0 304.368 -0.289 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826093485 604834205 /nfs/dbraw/zinc/83/42/05/604834205.db2.gz FMLMNKFMWSXRKI-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000824809544 604836803 /nfs/dbraw/zinc/83/68/03/604836803.db2.gz HTHLMXRDZCCLEV-IUCAKERBSA-N -1 0 307.372 -0.139 20 0 DBADRM Cc1nnc2n1CCN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C2 ZINC000830892852 604841875 /nfs/dbraw/zinc/84/18/75/604841875.db2.gz GEFRIZCYCLFEGP-SNVBAGLBSA-N -1 0 309.326 -0.302 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)N1CCN(C(=O)[O-])CC1 ZINC000824811118 604843124 /nfs/dbraw/zinc/84/31/24/604843124.db2.gz WUBRPSJDHDIYFY-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)C1 ZINC000828556554 604845232 /nfs/dbraw/zinc/84/52/32/604845232.db2.gz DIPRINHBHDLLLX-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000833431417 604846908 /nfs/dbraw/zinc/84/69/08/604846908.db2.gz WSWDPEDUOIGDTJ-NSHDSACASA-N -1 0 324.424 -0.219 20 0 DBADRM CN(CCNC(=O)[C@@H]1CN(C(=O)[O-])CCO1)CC(F)(F)F ZINC000828321599 604855587 /nfs/dbraw/zinc/85/55/87/604855587.db2.gz VCNARALBECHLHS-QMMMGPOBSA-N -1 0 313.276 -0.025 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000824357314 604858905 /nfs/dbraw/zinc/85/89/05/604858905.db2.gz PDASGJDHFNVLHN-MNOVXSKESA-N -1 0 313.354 -0.119 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000825015954 604858943 /nfs/dbraw/zinc/85/89/43/604858943.db2.gz LEGXDBMMRYZGOV-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM CCNC(=O)N1CCN(CCc2cn(CC(=O)[O-])nn2)CC1 ZINC000833656261 604860091 /nfs/dbraw/zinc/86/00/91/604860091.db2.gz AMYJPYNSWZIRNL-UHFFFAOYSA-N -1 0 310.358 -0.748 20 0 DBADRM CCN1CCO[C@H](CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000827229191 604861459 /nfs/dbraw/zinc/86/14/59/604861459.db2.gz WRMGDGSDNCIDTI-VXGBXAGGSA-N -1 0 315.370 -0.408 20 0 DBADRM COc1ncc(NC(=O)COCCNC(=O)[O-])cc1C(N)=O ZINC000829660390 604868549 /nfs/dbraw/zinc/86/85/49/604868549.db2.gz LZWGFJJUIPZKDY-UHFFFAOYSA-N -1 0 312.282 -0.588 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000824809408 604871638 /nfs/dbraw/zinc/87/16/38/604871638.db2.gz GTLIFCAZAUYMFY-YUMQZZPRSA-N -1 0 310.397 -0.021 20 0 DBADRM COCCOC[C@@H](C)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829002179 604872963 /nfs/dbraw/zinc/87/29/63/604872963.db2.gz NVVMXTOXAPJWAQ-GHMZBOCLSA-N -1 0 304.343 -0.077 20 0 DBADRM Cn1c(=O)cc(COC(=O)c2cnccc2C(=O)[O-])n(C)c1=O ZINC000833040139 604874417 /nfs/dbraw/zinc/87/44/17/604874417.db2.gz VLPFOXNBPGJPLU-UHFFFAOYSA-N -1 0 319.273 -0.466 20 0 DBADRM CNC(=O)CNC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828543299 604875622 /nfs/dbraw/zinc/87/56/22/604875622.db2.gz SNLHNNZGZDGSGP-HTQZYQBOSA-N -1 0 302.331 -0.465 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000832051798 604875970 /nfs/dbraw/zinc/87/59/70/604875970.db2.gz ZBFKKGSXUWTFNJ-VXGBXAGGSA-N -1 0 313.354 -0.702 20 0 DBADRM CNC(=O)CCNC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828537204 604876592 /nfs/dbraw/zinc/87/65/92/604876592.db2.gz DGCSVBMUUOKNDP-DTWKUNHWSA-N -1 0 316.358 -0.075 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCCS(=O)(=O)CC2)C1 ZINC000832051702 604878845 /nfs/dbraw/zinc/87/88/45/604878845.db2.gz YLACCPZQFWVVCP-SECBINFHSA-N -1 0 306.340 -0.988 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000833491701 604895986 /nfs/dbraw/zinc/89/59/86/604895986.db2.gz ADMXJTXOAZNFES-JTQLQIEISA-N -1 0 317.367 -0.408 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CCc1cn(CC(=O)[O-])nn1 ZINC000833586828 604896281 /nfs/dbraw/zinc/89/62/81/604896281.db2.gz HBQTVOBZNPJIKA-ZJUUUORDSA-N -1 0 316.383 -0.587 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000827242014 604901347 /nfs/dbraw/zinc/90/13/47/604901347.db2.gz HEVMEZPEDCSNFX-NXEZZACHSA-N -1 0 314.342 -0.715 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824809924 604902761 /nfs/dbraw/zinc/90/27/61/604902761.db2.gz MKNQVZFMXUTGKU-NXEZZACHSA-N -1 0 322.383 -0.305 20 0 DBADRM C[C@@]1(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCCOC1 ZINC000235469407 604903231 /nfs/dbraw/zinc/90/32/31/604903231.db2.gz MCQQUKSRTDVQGP-LLVKDONJSA-N -1 0 303.340 -0.185 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833421263 604904083 /nfs/dbraw/zinc/90/40/83/604904083.db2.gz XPCRQJWYAAOCCK-NSHDSACASA-N -1 0 300.355 -0.167 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833747453 604905130 /nfs/dbraw/zinc/90/51/30/604905130.db2.gz YSMQWMNNQZNXTE-CQSZACIVSA-N -1 0 324.333 -0.454 20 0 DBADRM NC(=O)N1CC[C@@H](NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831200246 604906455 /nfs/dbraw/zinc/90/64/55/604906455.db2.gz XWUIXQXBSIVKHY-RKDXNWHRSA-N -1 0 300.315 -0.976 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCC2CCN(C(=O)[O-])CC2)cn1 ZINC000831008915 604908214 /nfs/dbraw/zinc/90/82/14/604908214.db2.gz FYMAQJBHGCYWSF-UHFFFAOYSA-N -1 0 309.326 -0.135 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827471172 604910005 /nfs/dbraw/zinc/91/00/05/604910005.db2.gz GTZLWTHNZXLYQJ-ZJUUUORDSA-N -1 0 322.383 -0.353 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827471171 604910062 /nfs/dbraw/zinc/91/00/62/604910062.db2.gz GTZLWTHNZXLYQJ-VHSXEESVSA-N -1 0 322.383 -0.353 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000823736811 604910874 /nfs/dbraw/zinc/91/08/74/604910874.db2.gz APEDCPGBFOIDFF-OPRDCNLKSA-N -1 0 322.383 -0.355 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)[C@H]2CSCN2C(=O)[O-])cn1 ZINC000830994235 604918924 /nfs/dbraw/zinc/91/89/24/604918924.db2.gz PSJVVZYSGZTHKO-RKDXNWHRSA-N -1 0 300.340 -0.377 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NC[C@@]2(CCO)CCOC2)C1 ZINC000831896301 604934165 /nfs/dbraw/zinc/93/41/65/604934165.db2.gz UDITZXPSYQMMPT-CHWSQXEVSA-N -1 0 304.318 -0.016 20 0 DBADRM COC(=O)[C@](C)(NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000828602652 604940862 /nfs/dbraw/zinc/94/08/62/604940862.db2.gz XFBZRJMCRLFVQX-TVQRCGJNSA-N -1 0 300.311 -0.177 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000831806544 604947140 /nfs/dbraw/zinc/94/71/40/604947140.db2.gz QLSYGOCIYFNZLS-JTQLQIEISA-N -1 0 318.293 -0.020 20 0 DBADRM CSC[C@@](C)(O)CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829716783 604947281 /nfs/dbraw/zinc/94/72/81/604947281.db2.gz ORYYFIZNBMNANW-SKDRFNHKSA-N -1 0 306.384 -0.015 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC2CN(C(=O)[O-])C2)s1 ZINC000740340455 604953077 /nfs/dbraw/zinc/95/30/77/604953077.db2.gz KACVKHQWMBFDTA-UHFFFAOYSA-N -1 0 305.337 -0.513 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000825177359 604953216 /nfs/dbraw/zinc/95/32/16/604953216.db2.gz JNGOPOTXBWAQKQ-NRPADANISA-N -1 0 309.326 -0.314 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC000833395652 604956078 /nfs/dbraw/zinc/95/60/78/604956078.db2.gz RJYGJNSMELSYBM-SECBINFHSA-N -1 0 321.337 -0.652 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC000833395853 604956437 /nfs/dbraw/zinc/95/64/37/604956437.db2.gz RJYGJNSMELSYBM-VIFPVBQESA-N -1 0 321.337 -0.652 20 0 DBADRM COC[C@H]1CN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000828930041 604958010 /nfs/dbraw/zinc/95/80/10/604958010.db2.gz NHZNQBWDJVXFGE-GHMZBOCLSA-N -1 0 302.327 -0.371 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000833740783 604962424 /nfs/dbraw/zinc/96/24/24/604962424.db2.gz SZIUUBWFASPSDF-VIFPVBQESA-N -1 0 316.310 -0.449 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@H](C)NC(=O)[O-])C1 ZINC000833396017 604962930 /nfs/dbraw/zinc/96/29/30/604962930.db2.gz MPEXJHNLIFSLFF-WPRPVWTQSA-N -1 0 315.326 -0.687 20 0 DBADRM C[C@H](CN(C)[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000827442753 604964611 /nfs/dbraw/zinc/96/46/11/604964611.db2.gz QZHREXIFAXJVNS-UTLUCORTSA-N -1 0 306.384 -0.669 20 0 DBADRM NC(=O)NC1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831209048 604969035 /nfs/dbraw/zinc/96/90/35/604969035.db2.gz YYIXXDUGYJXCDG-SECBINFHSA-N -1 0 300.315 -0.976 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000831699078 604970716 /nfs/dbraw/zinc/97/07/16/604970716.db2.gz CCAVMFRQBBTDMB-JTQLQIEISA-N -1 0 320.367 -0.694 20 0 DBADRM C[C@H](C(=O)Nc1ncccn1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833412651 604977318 /nfs/dbraw/zinc/97/73/18/604977318.db2.gz WFXDPISBXRXTOP-MWLCHTKSSA-N -1 0 308.338 -0.039 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN([C@H]2CCOC2)CC1)C(=O)[O-] ZINC000833520968 605010281 /nfs/dbraw/zinc/01/02/81/605010281.db2.gz WXAXYFSQZXOAJX-QWRGUYRKSA-N -1 0 306.384 -0.557 20 0 DBADRM C[C@H](OC(=O)c1ccccc1NC(=O)Cn1cnnn1)C(=O)[O-] ZINC000737719940 605012840 /nfs/dbraw/zinc/01/28/40/605012840.db2.gz XOSXETRLFWRKPP-QMMMGPOBSA-N -1 0 319.277 -0.058 20 0 DBADRM CC(C)CN(CC(N)=O)S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833489005 605016208 /nfs/dbraw/zinc/01/62/08/605016208.db2.gz WKBOQLRFJNCWSG-UHFFFAOYSA-N -1 0 321.380 -0.027 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CC[C@H](NC(N)=O)C1)C(=O)[O-] ZINC000833640164 605019266 /nfs/dbraw/zinc/01/92/66/605019266.db2.gz UYUPIVNVABEZJI-QXEWZRGKSA-N -1 0 300.359 -0.656 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCCN1CCNC(=O)C1 ZINC000833469848 605024487 /nfs/dbraw/zinc/02/44/87/605024487.db2.gz ZDDAHXOVODBPTJ-LLVKDONJSA-N -1 0 300.359 -0.783 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC000833435896 605025361 /nfs/dbraw/zinc/02/53/61/605025361.db2.gz YYHUQDZHNMICPK-IUCAKERBSA-N -1 0 302.327 -0.195 20 0 DBADRM CC(C)COC(=O)[C@H](C)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000833488574 605026897 /nfs/dbraw/zinc/02/68/97/605026897.db2.gz AXXLNRIWLDDJFL-VIFPVBQESA-N -1 0 310.372 -0.185 20 0 DBADRM CN(C)C(=O)CCCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833687521 605027479 /nfs/dbraw/zinc/02/74/79/605027479.db2.gz LKRLQJLMYRQDDU-UHFFFAOYSA-N -1 0 324.337 -0.354 20 0 DBADRM CC(C)COC[C@H](O)CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000833487393 605031166 /nfs/dbraw/zinc/03/11/66/605031166.db2.gz CGJZDJKSTHVDBW-SNVBAGLBSA-N -1 0 312.388 -0.739 20 0 DBADRM CCOc1ncccc1NC(=O)C(=O)NC1CN(C(=O)[O-])C1 ZINC000833665126 605035605 /nfs/dbraw/zinc/03/56/05/605035605.db2.gz LYVDZXXKNGIDKX-UHFFFAOYSA-N -1 0 308.294 -0.103 20 0 DBADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000833547364 605042905 /nfs/dbraw/zinc/04/29/05/605042905.db2.gz SBEZOYNRFJMBFN-IUCAKERBSA-N -1 0 307.306 -0.319 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC(OCCCO)CC1)C(=O)[O-] ZINC000833518901 605045994 /nfs/dbraw/zinc/04/59/94/605045994.db2.gz KXGQLUQHMUCLSM-SNVBAGLBSA-N -1 0 309.384 -0.100 20 0 DBADRM CNC(=O)[C@@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(C)C ZINC000833699671 605050619 /nfs/dbraw/zinc/05/06/19/605050619.db2.gz VJPNTYPLOCFSAE-ZETCQYMHSA-N -1 0 321.380 -0.110 20 0 DBADRM C[C@H](O)[C@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000833528594 605051052 /nfs/dbraw/zinc/05/10/52/605051052.db2.gz POUMNGUEKJZBCO-UWVGGRQHSA-N -1 0 317.367 -0.251 20 0 DBADRM CC(=O)N1CC[C@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])[C@@H](C)C1 ZINC000833393775 605080003 /nfs/dbraw/zinc/08/00/03/605080003.db2.gz MCFOPSAESUVVQJ-NGZCFLSTSA-N -1 0 306.384 -0.117 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000827531219 605080783 /nfs/dbraw/zinc/08/07/83/605080783.db2.gz DKAIOUNDEBEAQZ-XPUUQOCRSA-N -1 0 301.299 -0.048 20 0 DBADRM CCN1C[C@H](COC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1=O ZINC000827198959 605083195 /nfs/dbraw/zinc/08/31/95/605083195.db2.gz MQPTXODLBVUTQR-NXEZZACHSA-N -1 0 300.311 -0.223 20 0 DBADRM CCN1C[C@@H](COC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1=O ZINC000827198961 605083334 /nfs/dbraw/zinc/08/33/34/605083334.db2.gz MQPTXODLBVUTQR-VHSXEESVSA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@H](C(=O)NC[C@H](O)C(=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000833403606 605085887 /nfs/dbraw/zinc/08/58/87/605085887.db2.gz BDCBYYCDNZVXLI-KATARQTJSA-N -1 0 312.322 -0.888 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC000833436559 605090470 /nfs/dbraw/zinc/09/04/70/605090470.db2.gz KNTXHDPYJDOAJJ-ISVAXAHUSA-N -1 0 320.317 -0.103 20 0 DBADRM CC(C)(C)OC(=O)N1CC(OCC(=O)NC[C@H](O)C(=O)[O-])C1 ZINC000833432765 605090510 /nfs/dbraw/zinc/09/05/10/605090510.db2.gz QMUMBBZQMHSLGE-VIFPVBQESA-N -1 0 318.326 -0.816 20 0 DBADRM CS(=O)(=O)Nc1cccc(CC(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000833737178 605091442 /nfs/dbraw/zinc/09/14/42/605091442.db2.gz CJBUFLXQPUHKLR-JTQLQIEISA-N -1 0 316.335 -0.838 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000738911639 605092247 /nfs/dbraw/zinc/09/22/47/605092247.db2.gz MXXJUURHPNTZDX-QWRGUYRKSA-N -1 0 300.359 -0.241 20 0 DBADRM CS(=O)(=O)CCCOC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000829673956 605094405 /nfs/dbraw/zinc/09/44/05/605094405.db2.gz MBEZOVBMGGGFFE-VIFPVBQESA-N -1 0 309.340 -0.267 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739191215 605099835 /nfs/dbraw/zinc/09/98/35/605099835.db2.gz RSJYBLSJBPROOI-QWRGUYRKSA-N -1 0 300.359 -0.241 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833665405 605110608 /nfs/dbraw/zinc/11/06/08/605110608.db2.gz RTAVLURSUNWABX-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cn(C)c1=O ZINC000820986520 605120539 /nfs/dbraw/zinc/12/05/39/605120539.db2.gz YVRINPWAHHYHAJ-SECBINFHSA-N -1 0 307.306 -0.435 20 0 DBADRM C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H](NC(=O)[O-])C2)CC1=O ZINC000828031521 605133664 /nfs/dbraw/zinc/13/36/64/605133664.db2.gz QNOKJAMXBINIGR-MNOVXSKESA-N -1 0 312.370 -0.735 20 0 DBADRM C[C@@H](C(=O)NCC1(C(=O)[O-])CCOCC1)N1CCN(C)CC1 ZINC000833403643 605136342 /nfs/dbraw/zinc/13/63/42/605136342.db2.gz BZJHONRGUOZSBH-LBPRGKRZSA-N -1 0 313.398 -0.380 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000833461205 605137314 /nfs/dbraw/zinc/13/73/14/605137314.db2.gz UTKCNMISBLLKNS-UHFFFAOYSA-N -1 0 322.383 -0.688 20 0 DBADRM NC(=O)c1ccc(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1 ZINC000833762769 605163167 /nfs/dbraw/zinc/16/31/67/605163167.db2.gz VSXJRXXPHJRRFQ-SECBINFHSA-N -1 0 308.294 -0.112 20 0 DBADRM CNC(=O)Cc1noc(CN[C@](C)(CNC(=O)[O-])C2CC2)n1 ZINC000828546586 605170540 /nfs/dbraw/zinc/17/05/40/605170540.db2.gz FGSQBXFWIDUJDG-CYBMUJFWSA-N -1 0 311.342 -0.116 20 0 DBADRM NC(=O)C(NC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-])C(N)=O ZINC000831167788 605170993 /nfs/dbraw/zinc/17/09/93/605170993.db2.gz PQILUNCUZCQCRU-SFYZADRCSA-N -1 0 314.342 -0.952 20 0 DBADRM O=C([O-])NCc1nnnn1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000832738610 605178495 /nfs/dbraw/zinc/17/84/95/605178495.db2.gz MSJDAFUEWBPDRA-NXEZZACHSA-N -1 0 324.341 -0.389 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NCCCN1CCNC(=O)C1 ZINC000833479816 605181259 /nfs/dbraw/zinc/18/12/59/605181259.db2.gz NYKFEUXTGJVSAZ-LLVKDONJSA-N -1 0 314.386 -0.393 20 0 DBADRM COC(=O)[C@@H]1CCCN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828632257 605188283 /nfs/dbraw/zinc/18/82/83/605188283.db2.gz QERLUFNLJDLGAT-UWVGGRQHSA-N -1 0 300.311 -0.081 20 0 DBADRM CC1(C)CN(C(=O)C2CC2)CCN1CC(=O)NCCC(=O)[O-] ZINC000833560033 605195805 /nfs/dbraw/zinc/19/58/05/605195805.db2.gz MAWAWLMXHBAYNS-UHFFFAOYSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@H](NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)[C@@H]1CN(C)CCO1 ZINC000825109157 605201396 /nfs/dbraw/zinc/20/13/96/605201396.db2.gz RSPBCWIYUYZCPR-SRVKXCTJSA-N -1 0 315.370 -0.409 20 0 DBADRM COC(=O)c1cc(CN2CCO[C@H](C(N)=O)C2)cc(C(=O)[O-])c1 ZINC000833712772 605203897 /nfs/dbraw/zinc/20/38/97/605203897.db2.gz MNXHOUIMRFBOMW-LBPRGKRZSA-N -1 0 322.317 -0.143 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694148113 605204804 /nfs/dbraw/zinc/20/48/04/605204804.db2.gz JXARHZYOHYBMCB-SSDOTTSWSA-N -1 0 323.348 -0.215 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827250196 605205526 /nfs/dbraw/zinc/20/55/26/605205526.db2.gz RLXNAFVCXNADGF-JGVFFNPUSA-N -1 0 317.298 -0.857 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CCN(C(=O)[O-])CC2)CCO1 ZINC000833561403 605206453 /nfs/dbraw/zinc/20/64/53/605206453.db2.gz JKIVJAFVSWQCRY-UHFFFAOYSA-N -1 0 307.372 -0.362 20 0 DBADRM COCCCNC(=O)COC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828950866 605215718 /nfs/dbraw/zinc/21/57/18/605215718.db2.gz VBFAUYIYXQDXST-VIFPVBQESA-N -1 0 304.299 -0.939 20 0 DBADRM NC(=O)C1(NC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)CCOCC1 ZINC000831166591 605220746 /nfs/dbraw/zinc/22/07/46/605220746.db2.gz DQQWUAJYSXLAPW-UWVGGRQHSA-N -1 0 313.354 -0.037 20 0 DBADRM NC(=O)C1(NC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)CCOCC1 ZINC000831166593 605220964 /nfs/dbraw/zinc/22/09/64/605220964.db2.gz DQQWUAJYSXLAPW-ZJUUUORDSA-N -1 0 313.354 -0.037 20 0 DBADRM C[C@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])[C@@H]1CN(C)CCO1 ZINC000825096137 605224042 /nfs/dbraw/zinc/22/40/42/605224042.db2.gz ZGWZUNFOMNHVBA-DCAQKATOSA-N -1 0 301.343 -0.800 20 0 DBADRM COC(=O)N1CC(NC(=O)NC2CCN(C(=O)[O-])CC2)C1 ZINC000828704849 605226484 /nfs/dbraw/zinc/22/64/84/605226484.db2.gz ORLXEJPJJYYUIQ-UHFFFAOYSA-N -1 0 300.315 -0.121 20 0 DBADRM C[C@@H](NC(=O)N1CC[C@@H](NC(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC000825150979 605232490 /nfs/dbraw/zinc/23/24/90/605232490.db2.gz ZLKBUJYRSXIAKS-GMTAPVOTSA-N -1 0 300.359 -0.243 20 0 DBADRM COCCNC(=O)CNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828989753 605243578 /nfs/dbraw/zinc/24/35/78/605243578.db2.gz BTNZXKVNXKEERW-SNVBAGLBSA-N -1 0 317.342 -0.976 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)Cc1ccn(C)n1)C(=O)[O-] ZINC000833490949 605243886 /nfs/dbraw/zinc/24/38/86/605243886.db2.gz ISYHHKWEIYCGJW-NSHDSACASA-N -1 0 310.354 -0.306 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@H]1CCNC(=O)C1)C(=O)[O-] ZINC000833491001 605248266 /nfs/dbraw/zinc/24/82/66/605248266.db2.gz QLTHUGNRLAQYBJ-UWVGGRQHSA-N -1 0 313.354 -0.756 20 0 DBADRM COc1c(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cccc1C(N)=O ZINC000833726915 605249365 /nfs/dbraw/zinc/24/93/65/605249365.db2.gz KQQSRTCEHVTFQX-ZETCQYMHSA-N -1 0 323.305 -0.431 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1ccn(C)c(=O)c1)C(=O)[O-] ZINC000263236426 605249478 /nfs/dbraw/zinc/24/94/78/605249478.db2.gz CZYDNSXJXKJYTF-NSHDSACASA-N -1 0 323.349 -0.269 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)CCN1CCC(=O)[O-] ZINC000833618125 605254104 /nfs/dbraw/zinc/25/41/04/605254104.db2.gz KVJVKMBMSXNMQR-MNOVXSKESA-N -1 0 318.395 -0.572 20 0 DBADRM CCN(CC(=O)NC)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827002780 605262611 /nfs/dbraw/zinc/26/26/11/605262611.db2.gz SJOVUAOAYQPELW-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM COC(=O)Cn1cc([C@H](C)OC(=O)[C@@H](C)NC(=O)[O-])nn1 ZINC000828699686 605265642 /nfs/dbraw/zinc/26/56/42/605265642.db2.gz JLVLAMFPAUEKMO-RQJHMYQMSA-N -1 0 300.271 -0.289 20 0 DBADRM CC(C)C(=O)Nc1nc(CC(=O)N[C@H](CO)C(=O)[O-])cs1 ZINC000833467515 605268357 /nfs/dbraw/zinc/26/83/57/605268357.db2.gz XGDYTCQQXDTFLG-MRVPVSSYSA-N -1 0 315.351 -0.158 20 0 DBADRM CC1CCC(N2C[C@@H](C(=O)N[C@H](CO)C(=O)[O-])CC2=O)CC1 ZINC000833602309 605268375 /nfs/dbraw/zinc/26/83/75/605268375.db2.gz BYXZABBKENIEDI-POSLAHMBSA-N -1 0 312.366 -0.025 20 0 DBADRM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC000833440265 605268770 /nfs/dbraw/zinc/26/87/70/605268770.db2.gz WHYHMBGSUYLNQW-RKDXNWHRSA-N -1 0 302.327 -0.052 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000263229716 605274455 /nfs/dbraw/zinc/27/44/55/605274455.db2.gz BJKXJAAEAKWNBG-SCZZXKLOSA-N -1 0 301.343 -0.757 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000832662879 605291920 /nfs/dbraw/zinc/29/19/20/605291920.db2.gz OAGKSGBVQXWUTO-LLVKDONJSA-N -1 0 301.343 -0.796 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828340930 605293264 /nfs/dbraw/zinc/29/32/64/605293264.db2.gz FJIUDAMBNGRIDC-SNVBAGLBSA-N -1 0 322.383 -0.352 20 0 DBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000831997518 605293774 /nfs/dbraw/zinc/29/37/74/605293774.db2.gz NUFBLXCWZQEPJG-JTQLQIEISA-N -1 0 320.367 -0.598 20 0 DBADRM Nc1ccnc(CNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])n1 ZINC000831265868 605294019 /nfs/dbraw/zinc/29/40/19/605294019.db2.gz VMXYYECXDQASSL-SECBINFHSA-N -1 0 309.326 -0.166 20 0 DBADRM COC(=O)N1CC(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828704610 605295690 /nfs/dbraw/zinc/29/56/90/605295690.db2.gz MFFRYUPTRJJXCZ-VIFPVBQESA-N -1 0 301.299 -0.678 20 0 DBADRM CC[C@H]1C(=O)NCCN1C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000826659806 605299753 /nfs/dbraw/zinc/29/97/53/605299753.db2.gz HCJISEHQTJHGCZ-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM Cc1nnc(CCNC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)[nH]1 ZINC000830746632 605300289 /nfs/dbraw/zinc/30/02/89/605300289.db2.gz NFLOJMRMYGLZCK-JTQLQIEISA-N -1 0 311.342 -0.069 20 0 DBADRM CC(C)[C@@H](NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)C(N)=O ZINC000824129689 605301290 /nfs/dbraw/zinc/30/12/90/605301290.db2.gz RPFBUNCEABVBRJ-MWLCHTKSSA-N -1 0 301.343 -0.229 20 0 DBADRM CC(C)NC(=O)CNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000134676651 605301514 /nfs/dbraw/zinc/30/15/14/605301514.db2.gz HAOPCTFHDLUWNK-UHFFFAOYSA-N -1 0 307.353 -0.356 20 0 DBADRM Cc1cc(COC(=O)CN2CCN(C(=O)[O-])CC2=O)nn1C ZINC000830044236 605307471 /nfs/dbraw/zinc/30/74/71/605307471.db2.gz DYQNHNJPKBUYSE-UHFFFAOYSA-N -1 0 310.310 -0.406 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCCNC(=O)C1CCCC1 ZINC000834042604 605309249 /nfs/dbraw/zinc/30/92/49/605309249.db2.gz ZHCFZPBHYLTWGH-GHMZBOCLSA-N -1 0 314.338 -0.051 20 0 DBADRM CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833867830 605311419 /nfs/dbraw/zinc/31/14/19/605311419.db2.gz YDPSCIUIWLALMK-JGVFFNPUSA-N -1 0 324.341 -0.697 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)OCC(=O)N1CCNC1=O ZINC000834136604 605324466 /nfs/dbraw/zinc/32/44/66/605324466.db2.gz DNEHZMZOHJDYLQ-YFKPBYRVSA-N -1 0 309.225 -0.627 20 0 DBADRM C[C@@H](OC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)C(=O)NC(N)=O ZINC000825592911 605329314 /nfs/dbraw/zinc/32/93/14/605329314.db2.gz TZJCFQCGJJQRNY-HTQZYQBOSA-N -1 0 317.298 -0.728 20 0 DBADRM C[C@@H](OC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)C(=O)NC(N)=O ZINC000825592913 605329746 /nfs/dbraw/zinc/32/97/46/605329746.db2.gz TZJCFQCGJJQRNY-SFYZADRCSA-N -1 0 317.298 -0.728 20 0 DBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)OCC(=O)N1CCC1 ZINC000831523127 605335385 /nfs/dbraw/zinc/33/53/85/605335385.db2.gz GXWABGZEXRNHRM-JTQLQIEISA-N -1 0 300.311 -0.079 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000834194917 605335370 /nfs/dbraw/zinc/33/53/70/605335370.db2.gz PNJVDOYKOMOXGD-LBPRGKRZSA-N -1 0 321.333 -0.030 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccc(F)cc1F ZINC000834195722 605339732 /nfs/dbraw/zinc/33/97/32/605339732.db2.gz FDXIQFISBIJPMA-UHFFFAOYSA-N -1 0 301.249 -0.035 20 0 DBADRM CN(CCCN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O)C(=O)[O-] ZINC000833872105 605339883 /nfs/dbraw/zinc/33/98/83/605339883.db2.gz FBAHNKCUVXGSCT-MRVPVSSYSA-N -1 0 321.355 -0.659 20 0 DBADRM COc1ccc2c(c1)CN(C(=O)CNC(=O)CNC(=O)[O-])CC2 ZINC000833890137 605343985 /nfs/dbraw/zinc/34/39/85/605343985.db2.gz GIVBJGDJOQNPOT-UHFFFAOYSA-N -1 0 321.333 -0.036 20 0 DBADRM CCc1nnc(CN2C(=O)N[C@]3(CCN(C(=O)[O-])C3)C2=O)o1 ZINC000827647826 605344234 /nfs/dbraw/zinc/34/42/34/605344234.db2.gz FRRRQXMCAZUFIU-LBPRGKRZSA-N -1 0 309.282 -0.194 20 0 DBADRM COCCN(C(=O)CNC(=O)CNC(=O)[O-])C1CCCC1 ZINC000833883066 605345587 /nfs/dbraw/zinc/34/55/87/605345587.db2.gz DWBLFSOKUUCHSY-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM O=C([O-])N1CCN(C(=O)CN2C(=O)[C@H]3CCCCN3C2=O)CC1 ZINC000834116031 605346085 /nfs/dbraw/zinc/34/60/85/605346085.db2.gz PCQYZBFLSXFZLQ-SNVBAGLBSA-N -1 0 324.337 -0.375 20 0 DBADRM Cc1nc2n(c1C)CCN(C(=O)CNC(=O)CNC(=O)[O-])C2 ZINC000833915116 605348207 /nfs/dbraw/zinc/34/82/07/605348207.db2.gz JKGQXGBIIVRWTE-UHFFFAOYSA-N -1 0 309.326 -0.774 20 0 DBADRM O=C(CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O)NCC1CC1 ZINC000831480139 605349303 /nfs/dbraw/zinc/34/93/03/605349303.db2.gz PCOXLDUDGCOXRU-ZDUSSCGKSA-N -1 0 310.310 -0.813 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000834194090 605350998 /nfs/dbraw/zinc/35/09/98/605350998.db2.gz KFWBHNALQYTFOZ-SNVBAGLBSA-N -1 0 311.294 -0.437 20 0 DBADRM Cn1cccc1C(=O)CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O ZINC000831026946 605351424 /nfs/dbraw/zinc/35/14/24/605351424.db2.gz RTJOWZDEXYVRFQ-AWEZNQCLSA-N -1 0 320.305 -0.118 20 0 DBADRM CN(CC1CC1)C(=O)CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O ZINC000828170515 605351726 /nfs/dbraw/zinc/35/17/26/605351726.db2.gz SUTJQJFIDDEADB-AWEZNQCLSA-N -1 0 324.337 -0.471 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000828656388 605351799 /nfs/dbraw/zinc/35/17/99/605351799.db2.gz QYPPPYKZLBDCKM-VIFPVBQESA-N -1 0 300.311 -0.081 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000834195783 605352223 /nfs/dbraw/zinc/35/22/23/605352223.db2.gz FZXZWECXUHGHST-JTQLQIEISA-N -1 0 313.354 -0.022 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000834192044 605352495 /nfs/dbraw/zinc/35/24/95/605352495.db2.gz AGQKEJVJMUBFSA-NSHDSACASA-N -1 0 322.321 -0.555 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000834194339 605352730 /nfs/dbraw/zinc/35/27/30/605352730.db2.gz WBCMOZGLKQNVTP-LLVKDONJSA-N -1 0 313.354 -0.355 20 0 DBADRM CN(C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)[C@@H]1CCN(C)C1=O ZINC000828465846 605352756 /nfs/dbraw/zinc/35/27/56/605352756.db2.gz IRRCFKNWNCPSIM-GHMZBOCLSA-N -1 0 313.354 -0.166 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000834195256 605352914 /nfs/dbraw/zinc/35/29/14/605352914.db2.gz BPXYKFSCDIEHGV-AXTRIDKLSA-N -1 0 311.338 -0.556 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc2nccnc2c1 ZINC000834199333 605370680 /nfs/dbraw/zinc/37/06/80/605370680.db2.gz ZLTQLIBOZUCXCR-UHFFFAOYSA-N -1 0 303.278 -0.048 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000834193377 605372021 /nfs/dbraw/zinc/37/20/21/605372021.db2.gz FTMGHIIDQLPFHS-LURJTMIESA-N -1 0 313.232 -0.840 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)N[C@@H](CNC(=O)[O-])C2CC2)cn1 ZINC000833948262 605373086 /nfs/dbraw/zinc/37/30/86/605373086.db2.gz XFKGJJAIKIXGJR-WDEREUQCSA-N -1 0 311.342 -0.201 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)NC[C@H]2CCCN2C(=O)[O-])cn1 ZINC000833946261 605373366 /nfs/dbraw/zinc/37/33/66/605373366.db2.gz LDQYNRZJJIQMQF-GHMZBOCLSA-N -1 0 311.342 -0.105 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NC[C@@H](O)COCC2CC2)C1 ZINC000831622659 605381033 /nfs/dbraw/zinc/38/10/33/605381033.db2.gz ZPNCGDBRXZDHNR-MNOVXSKESA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000834198494 605381580 /nfs/dbraw/zinc/38/15/80/605381580.db2.gz KDRUEAZUNHDQID-UHFFFAOYSA-N -1 0 318.293 -0.206 20 0 DBADRM CCS(=O)(=O)CCNC(=O)NC[C@H]1CCN(C(=O)[O-])C1 ZINC000833864052 605385667 /nfs/dbraw/zinc/38/56/67/605385667.db2.gz VOGINKGICYCYSG-SECBINFHSA-N -1 0 307.372 -0.280 20 0 DBADRM C[C@@H](CC(=O)c1ccco1)NC(=O)CNC(=O)CNC(=O)[O-] ZINC000833801517 605387356 /nfs/dbraw/zinc/38/73/56/605387356.db2.gz KPUWFHGJPXJXMH-QMMMGPOBSA-N -1 0 311.294 -0.259 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@H](O)c1ccsc1 ZINC000834196132 605387993 /nfs/dbraw/zinc/38/79/93/605387993.db2.gz GIRZZYCCFRKNLC-MRVPVSSYSA-N -1 0 301.324 -0.719 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@H]1CSCCS1 ZINC000834196664 605388106 /nfs/dbraw/zinc/38/81/06/605388106.db2.gz PRLSBOYXXNENSM-SSDOTTSWSA-N -1 0 307.397 -0.665 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000834196813 605388274 /nfs/dbraw/zinc/38/82/74/605388274.db2.gz NZNNIIMQOXACSC-JTQLQIEISA-N -1 0 313.285 -0.641 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCC1(CCO)CCCC1 ZINC000834197981 605389841 /nfs/dbraw/zinc/38/98/41/605389841.db2.gz ZYGKDHWCBAAGDH-UHFFFAOYSA-N -1 0 301.343 -0.571 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCCCC12OCCO2 ZINC000834196481 605393198 /nfs/dbraw/zinc/39/31/98/605393198.db2.gz JOOAMCVSBDENIT-SECBINFHSA-N -1 0 315.326 -0.828 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCC(OCCCO)CC1 ZINC000831283381 605394190 /nfs/dbraw/zinc/39/41/90/605394190.db2.gz MVBSLASGHGBGLF-LBPRGKRZSA-N -1 0 316.354 -0.245 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)NC[C@@H]2CCN(C(=O)[O-])C2)O1 ZINC000833979349 605400023 /nfs/dbraw/zinc/40/00/23/605400023.db2.gz BJPOPJLIRYIBNY-AEJSXWLSSA-N -1 0 314.342 -0.682 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nn1cc(Br)cn1 ZINC000834198541 605400247 /nfs/dbraw/zinc/40/02/47/605400247.db2.gz KHJJYXZGNIYGQL-UHFFFAOYSA-N -1 0 320.103 -0.901 20 0 DBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NCc1ccco1 ZINC000833893885 605401006 /nfs/dbraw/zinc/40/10/06/605401006.db2.gz FXBYSCISMVJENS-SECBINFHSA-N -1 0 304.324 -0.033 20 0 DBADRM O=C([O-])N1CCCC[C@H]1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000831620659 605406535 /nfs/dbraw/zinc/40/65/35/605406535.db2.gz HXOXSYITLMMYCJ-RYUDHWBXSA-N -1 0 315.370 -0.672 20 0 DBADRM CS(=O)(=O)NCCC(=O)O[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000829688909 605406547 /nfs/dbraw/zinc/40/65/47/605406547.db2.gz XBICVHJSXVRKNJ-RKDXNWHRSA-N -1 0 308.356 -0.095 20 0 DBADRM O=C([O-])N(CC(=O)NC[C@@H](O)CN1CCOCC1)CC1CC1 ZINC000834005111 605407303 /nfs/dbraw/zinc/40/73/03/605407303.db2.gz AKMGWDMWRAEUKG-GFCCVEGCSA-N -1 0 315.370 -0.814 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NC[C@@H](O)CN2CCOCC2)C1 ZINC000834170543 605408216 /nfs/dbraw/zinc/40/82/16/605408216.db2.gz PSCQIFKLHOVMBJ-QJPTWQEYSA-N -1 0 315.370 -0.768 20 0 DBADRM O=C([O-])N1CC[C@H](CNC(=O)NCC(=O)N2CCOCC2)C1 ZINC000834021045 605408992 /nfs/dbraw/zinc/40/89/92/605408992.db2.gz WKQOBYVGIDNUIW-SNVBAGLBSA-N -1 0 314.342 -0.856 20 0 DBADRM Cn1c(COC(=O)[C@@H](CC(N)=O)NC(=O)[O-])nnc1C1CC1 ZINC000833942451 605416836 /nfs/dbraw/zinc/41/68/36/605416836.db2.gz SVHYVARTDSHXJP-SSDOTTSWSA-N -1 0 311.298 -0.753 20 0 DBADRM CCOC(=O)[C@H](C)[C@H](C)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000833658214 605424046 /nfs/dbraw/zinc/42/40/46/605424046.db2.gz ZHKPPWBNPFWZRO-BDAKNGLRSA-N -1 0 310.372 -0.185 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833870571 605424789 /nfs/dbraw/zinc/42/47/89/605424789.db2.gz RFZUDOJDQUWRTE-JTQLQIEISA-N -1 0 321.399 -0.069 20 0 DBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCSC1 ZINC000833895029 605434058 /nfs/dbraw/zinc/43/40/58/605434058.db2.gz PVKKUZSQAHOACJ-HTQZYQBOSA-N -1 0 310.397 -0.321 20 0 DBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NCCn1cccc1 ZINC000833895849 605434181 /nfs/dbraw/zinc/43/41/81/605434181.db2.gz XCXRWTJMTBWIMI-SNVBAGLBSA-N -1 0 317.367 -0.325 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)OC[C@H]1CCS(=O)(=O)C1 ZINC000833986394 605434640 /nfs/dbraw/zinc/43/46/40/605434640.db2.gz AGUILIKMVQTCPO-NXEZZACHSA-N -1 0 321.351 -0.267 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nn1cc(Br)cn1 ZINC000834058836 605434872 /nfs/dbraw/zinc/43/48/72/605434872.db2.gz ORBQMPWTBRDIFY-RNFRBKRXSA-N -1 0 319.115 -0.171 20 0 DBADRM C[C@H](CC(=O)N1CCC(C(=O)NCCO)CC1)NC(=O)[O-] ZINC000824563937 605435422 /nfs/dbraw/zinc/43/54/22/605435422.db2.gz FDERGKILJKHZJQ-SECBINFHSA-N -1 0 301.343 -0.620 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)cn1 ZINC000833948251 605437546 /nfs/dbraw/zinc/43/75/46/605437546.db2.gz WWOSLKWRJFZIDT-SKDRFNHKSA-N -1 0 300.290 -0.338 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCC(C(=O)NCCO)CC1 ZINC000824134826 605437855 /nfs/dbraw/zinc/43/78/55/605437855.db2.gz APNYNQFUYNTABU-LLVKDONJSA-N -1 0 315.370 -0.374 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)cn1 ZINC000833948250 605437941 /nfs/dbraw/zinc/43/79/41/605437941.db2.gz WWOSLKWRJFZIDT-JOYOIKCWSA-N -1 0 300.290 -0.338 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000834194076 605439734 /nfs/dbraw/zinc/43/97/34/605439734.db2.gz KALPWELXGPUBKQ-VHSXEESVSA-N -1 0 311.338 -0.270 20 0 DBADRM COC[C@](C)(CCO)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000833881949 605442074 /nfs/dbraw/zinc/44/20/74/605442074.db2.gz FYIBLLABZRTUGB-GWCFXTLKSA-N -1 0 304.343 -0.341 20 0 DBADRM CN(C)c1ccccc1CNC(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833871063 605443842 /nfs/dbraw/zinc/44/38/42/605443842.db2.gz KEFYLSLYNWJUQC-JTQLQIEISA-N -1 0 308.338 -0.120 20 0 DBADRM CN(C(=O)[O-])C1CCN(c2ccc(C(=O)NCCO)nn2)CC1 ZINC000827899875 605459330 /nfs/dbraw/zinc/45/93/30/605459330.db2.gz LPTAHKAQQSCJIJ-UHFFFAOYSA-N -1 0 323.353 -0.223 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)N1CCCS(=O)(=O)CC1)C1CC1 ZINC000834148134 605459716 /nfs/dbraw/zinc/45/97/16/605459716.db2.gz YBMGEPJHFPTBEN-SNVBAGLBSA-N -1 0 319.383 -0.137 20 0 DBADRM C[C@@H]1CN(c2ccc(C(=O)NCCO)nn2)CC[C@@H]1NC(=O)[O-] ZINC000826082472 605460897 /nfs/dbraw/zinc/46/08/97/605460897.db2.gz PUBULBGIOQFTEY-ZJUUUORDSA-N -1 0 323.353 -0.319 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)c1=O ZINC000830964438 605466426 /nfs/dbraw/zinc/46/64/26/605466426.db2.gz RISDPEGZJZVFSK-VIFPVBQESA-N -1 0 322.321 -0.157 20 0 DBADRM O=C(CC[C@H]1CCN(C(=O)[O-])C1)NCCN1C(=O)CNC1=O ZINC000833989820 605470408 /nfs/dbraw/zinc/47/04/08/605470408.db2.gz JLEKJAPFGAOHEB-VIFPVBQESA-N -1 0 312.326 -0.566 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1c1ccc(C(=O)NCCO)nn1 ZINC000825846408 605485533 /nfs/dbraw/zinc/48/55/33/605485533.db2.gz UOTUOERHJWXNFQ-UWVGGRQHSA-N -1 0 323.353 -0.176 20 0 DBADRM C[C@@H](CC(=O)c1ccco1)NC(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833802928 605503474 /nfs/dbraw/zinc/50/34/74/605503474.db2.gz XEQWTVPVPPEBDD-JGVFFNPUSA-N -1 0 311.294 -0.131 20 0 DBADRM CN(CCN(C)C(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC000833871982 605504706 /nfs/dbraw/zinc/50/47/06/605504706.db2.gz ANHJKVOVFSXPSR-UHFFFAOYSA-N -1 0 316.339 -0.589 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)OC[C@@H]1COC(=O)O1 ZINC000833797950 605514358 /nfs/dbraw/zinc/51/43/58/605514358.db2.gz RSZJCHITVXOEAM-APPZFPTMSA-N -1 0 318.282 -0.527 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CCCC[C@@H]1CO ZINC000834004821 605524791 /nfs/dbraw/zinc/52/47/91/605524791.db2.gz IEBANIJPRBWMCG-GHMZBOCLSA-N -1 0 313.354 -0.524 20 0 DBADRM Cn1cnn(CC(=O)N(C2CC2)C2CCN(C(=O)[O-])CC2)c1=O ZINC000833957082 605526344 /nfs/dbraw/zinc/52/63/44/605526344.db2.gz QOLSGSOZPMSAKI-UHFFFAOYSA-N -1 0 323.353 -0.285 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000316052624 605533068 /nfs/dbraw/zinc/53/30/68/605533068.db2.gz FHMPVPAQCLFMBU-UHFFFAOYSA-N -1 0 309.326 -0.478 20 0 DBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1S(=O)(=O)N1CCOCC1 ZINC000825845647 605538791 /nfs/dbraw/zinc/53/87/91/605538791.db2.gz QJNXDNZVJPEDGA-VHSXEESVSA-N -1 0 307.372 -0.316 20 0 DBADRM NS(=O)(=O)CCNC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000831245280 605540038 /nfs/dbraw/zinc/54/00/38/605540038.db2.gz HJVWTNWJAGKZDM-ZJUUUORDSA-N -1 0 321.399 -0.002 20 0 DBADRM COCCN(CC(=O)N1CCSC[C@H]1CCO)C(=O)[O-] ZINC000833884349 605543104 /nfs/dbraw/zinc/54/31/04/605543104.db2.gz JLFWLIIDXRUHGX-SNVBAGLBSA-N -1 0 306.384 -0.061 20 0 DBADRM Cn1cnn(CC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])c1=O ZINC000833956662 605543928 /nfs/dbraw/zinc/54/39/28/605543928.db2.gz MQJMSYLFEKSBCK-VHSXEESVSA-N -1 0 311.342 -0.476 20 0 DBADRM O=C([O-])N(CC(=O)N1CCOC[C@@H]1CCO)C[C@H]1CCCO1 ZINC000834069875 605544771 /nfs/dbraw/zinc/54/47/71/605544771.db2.gz ZIGLUGZAMUEMEX-NWDGAFQWSA-N -1 0 316.354 -0.245 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCOC[C@H]2CCO)C1 ZINC000834120105 605545983 /nfs/dbraw/zinc/54/59/83/605545983.db2.gz UIJFAHRGGJCFFO-MNOVXSKESA-N -1 0 302.327 -0.635 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000834172132 605546829 /nfs/dbraw/zinc/54/68/29/605546829.db2.gz INFOTRUJDDNDPW-DJLDLDEBSA-N -1 0 310.310 -0.815 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000834172135 605546889 /nfs/dbraw/zinc/54/68/89/605546889.db2.gz INFOTRUJDDNDPW-YIZRAAEISA-N -1 0 310.310 -0.815 20 0 DBADRM O=C([O-])N1CCCC[C@@H]1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000834290209 605547813 /nfs/dbraw/zinc/54/78/13/605547813.db2.gz QFWWMBSWFIYCCW-RKDXNWHRSA-N -1 0 310.310 -0.719 20 0 DBADRM COCC1(O)CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000833881907 605548088 /nfs/dbraw/zinc/54/80/88/605548088.db2.gz KCWUUFWHEFIOED-NXEZZACHSA-N -1 0 302.327 -0.901 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCOC[C@@H]1c1ncon1 ZINC000834242332 605551911 /nfs/dbraw/zinc/55/19/11/605551911.db2.gz GLIIPYHAMWPUIQ-MRVPVSSYSA-N -1 0 300.271 -0.746 20 0 DBADRM CN(C(=O)C[C@H]1CSCCN1C(=O)[O-])[C@H]1CCNC1=O ZINC000833870341 605556730 /nfs/dbraw/zinc/55/67/30/605556730.db2.gz YVJKXBKPSLTVOP-IUCAKERBSA-N -1 0 301.368 -0.181 20 0 DBADRM CN(C(=O)C[C@@H]1CSCCN1C(=O)[O-])[C@@H]1CCNC1=O ZINC000833870342 605556573 /nfs/dbraw/zinc/55/65/73/605556573.db2.gz YVJKXBKPSLTVOP-RKDXNWHRSA-N -1 0 301.368 -0.181 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC(n2cc([C@H](C)O)nn2)C1)C(=O)[O-] ZINC000833518854 605559246 /nfs/dbraw/zinc/55/92/46/605559246.db2.gz JZGDDOLOWPNGFI-YUMQZZPRSA-N -1 0 318.355 -0.761 20 0 DBADRM CN(CCCNC(=O)NC(C)(C)CNC(=O)[O-])S(C)(=O)=O ZINC000828292465 605566710 /nfs/dbraw/zinc/56/67/10/605566710.db2.gz AYQYDTXAAGGUJC-UHFFFAOYSA-N -1 0 324.403 -0.387 20 0 DBADRM O=C([O-])NC1(C(=O)NCCOCCO)Cc2ccccc2C1 ZINC000832168067 605582404 /nfs/dbraw/zinc/58/24/04/605582404.db2.gz QDNREGBEPAPMQA-UHFFFAOYSA-N -1 0 308.334 -0.083 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N(C)CC(=O)N1CCOCC1 ZINC000824282923 605586040 /nfs/dbraw/zinc/58/60/40/605586040.db2.gz OOHOUBWHMSWIET-NSHDSACASA-N -1 0 315.370 -0.014 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)NC(C)(C)CNC(=O)[O-] ZINC000824382078 605590955 /nfs/dbraw/zinc/59/09/55/605590955.db2.gz KZIDKRTUXHZEED-UHFFFAOYSA-N -1 0 324.403 -0.340 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCC2(NC(=O)[O-])CCC2)ccc1=O ZINC000833949809 605603043 /nfs/dbraw/zinc/60/30/43/605603043.db2.gz KYWVWWMNFXYIRI-UHFFFAOYSA-N -1 0 322.321 -0.370 20 0 DBADRM O=C([O-])Nc1cccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC000834267799 605603844 /nfs/dbraw/zinc/60/38/44/605603844.db2.gz BLGGYGHGRJHONB-LBPRGKRZSA-N -1 0 318.333 -0.081 20 0 DBADRM O=C([O-])N1CCC[C@@H](n2cc(C(=O)N3CCNC(=O)C3)cn2)C1 ZINC000834289052 605605577 /nfs/dbraw/zinc/60/55/77/605605577.db2.gz IGBOOXODUZHXMV-LLVKDONJSA-N -1 0 321.337 -0.230 20 0 DBADRM CN(CC(C)(CO)CO)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000689263238 605606968 /nfs/dbraw/zinc/60/69/68/605606968.db2.gz MXQMDWBMDVSAKV-UHFFFAOYSA-N -1 0 307.324 -0.411 20 0 DBADRM CN(CC(C)(CO)CO)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000833691516 605608084 /nfs/dbraw/zinc/60/80/84/605608084.db2.gz DTFUKXAYKJOCDV-UHFFFAOYSA-N -1 0 309.384 -0.506 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)NCCCN1C(=O)CNC1=O ZINC000823986160 605617622 /nfs/dbraw/zinc/61/76/22/605617622.db2.gz LEDCYGMCYUSVLO-UHFFFAOYSA-N -1 0 315.330 -0.726 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@@H](CO)Cc1ccco1 ZINC000831615750 605624397 /nfs/dbraw/zinc/62/43/97/605624397.db2.gz DFJGEYRUHPWSNS-CMPLNLGQSA-N -1 0 312.322 -0.074 20 0 DBADRM O=C([O-])N[C@H](CC(=O)NC[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834124270 605628567 /nfs/dbraw/zinc/62/85/67/605628567.db2.gz DMLXRKQRSMMGBE-PSASIEDQSA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])N[C@@H](CC(=O)NC[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834124271 605628736 /nfs/dbraw/zinc/62/87/36/605628736.db2.gz DMLXRKQRSMMGBE-SCZZXKLOSA-N -1 0 304.368 -0.026 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000739765061 605630893 /nfs/dbraw/zinc/63/08/93/605630893.db2.gz WTPSKUDVMNORTK-SECBINFHSA-N -1 0 308.356 -0.047 20 0 DBADRM CCCCN(CC(N)=O)C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000826830425 605632865 /nfs/dbraw/zinc/63/28/65/605632865.db2.gz PYDNXGSOVIUFHF-UHFFFAOYSA-N -1 0 314.386 -0.168 20 0 DBADRM CCn1cnnc1CNC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000827711284 605638500 /nfs/dbraw/zinc/63/85/00/605638500.db2.gz OMHXTLRVALIVGM-UHFFFAOYSA-N -1 0 310.358 -0.354 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000825778382 605638452 /nfs/dbraw/zinc/63/84/52/605638452.db2.gz MIJJTSBSHKENKZ-IUCAKERBSA-N -1 0 301.368 -0.181 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])C1 ZINC000831178887 605644955 /nfs/dbraw/zinc/64/49/55/605644955.db2.gz NDKIFEKMVOCSAS-DTWKUNHWSA-N -1 0 301.368 -0.194 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)[C@@H]1CCCCO1 ZINC000828091511 605648266 /nfs/dbraw/zinc/64/82/66/605648266.db2.gz ZJRMBRKIJKJFDC-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM COCCCS(=O)(=O)NCCN1CCN(C(=O)[O-])C[C@@H]1C ZINC000828963880 605655156 /nfs/dbraw/zinc/65/51/56/605655156.db2.gz GJOWQJSXHBUIRP-NSHDSACASA-N -1 0 323.415 -0.374 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN1CCCC1=O ZINC000833704983 605656439 /nfs/dbraw/zinc/65/64/39/605656439.db2.gz IXIIXLCZDLDTSF-UWVGGRQHSA-N -1 0 312.322 -0.526 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN1CCCC1=O ZINC000833704979 605656566 /nfs/dbraw/zinc/65/65/66/605656566.db2.gz IXIIXLCZDLDTSF-NXEZZACHSA-N -1 0 312.322 -0.526 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@@H](C(=O)[O-])C1 ZINC000833708874 605657244 /nfs/dbraw/zinc/65/72/44/605657244.db2.gz KHCUQBMIWYHZBB-NXEZZACHSA-N -1 0 312.322 -0.526 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000833867650 605661412 /nfs/dbraw/zinc/66/14/12/605661412.db2.gz WQGYGZGJJXDCDP-QMMMGPOBSA-N -1 0 307.310 -0.154 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCOc1ncccc1F ZINC000834041942 605662770 /nfs/dbraw/zinc/66/27/70/605662770.db2.gz CGWOMMHTNWANNH-WCBMZHEXSA-N -1 0 313.285 -0.171 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCn1ccnn1 ZINC000833704032 605663325 /nfs/dbraw/zinc/66/33/25/605663325.db2.gz DQAZPJWCELIHRB-ZJUUUORDSA-N -1 0 310.310 -0.467 20 0 DBADRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCC1(CO)COC1 ZINC000834150551 605663472 /nfs/dbraw/zinc/66/34/72/605663472.db2.gz PFDHLDUYKZTPDX-GFCCVEGCSA-N -1 0 308.334 -0.010 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000830993675 605663448 /nfs/dbraw/zinc/66/34/48/605663448.db2.gz LUMDRFQJUAOYCT-WDEREUQCSA-N -1 0 311.342 -0.105 20 0 DBADRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NCC1(CO)COC1 ZINC000834150552 605663557 /nfs/dbraw/zinc/66/35/57/605663557.db2.gz PFDHLDUYKZTPDX-LBPRGKRZSA-N -1 0 308.334 -0.010 20 0 DBADRM O=C([O-])NC1CCC(C(=O)NC[C@H]2CN3CCN2CC3)CC1 ZINC000834169778 605663702 /nfs/dbraw/zinc/66/37/02/605663702.db2.gz LXNGSZJEQWVRRO-BPCQOVAHSA-N -1 0 310.398 -0.071 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000739160041 605664762 /nfs/dbraw/zinc/66/47/62/605664762.db2.gz LPRUSQYTCKLUHK-DTWKUNHWSA-N -1 0 300.315 -0.976 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000833946304 605665727 /nfs/dbraw/zinc/66/57/27/605665727.db2.gz LPNMRXNFEWFTOH-WDEREUQCSA-N -1 0 311.342 -0.105 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1nnc2n1CCCCC2 ZINC000833984028 605666638 /nfs/dbraw/zinc/66/66/38/605666638.db2.gz ZQJYUEBUUVUAJQ-MRVPVSSYSA-N -1 0 324.341 -0.868 20 0 DBADRM CCOC(=O)CCNC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000827305845 605670629 /nfs/dbraw/zinc/67/06/29/605670629.db2.gz MKRWVDWGIDRACU-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000823846302 605676322 /nfs/dbraw/zinc/67/63/22/605676322.db2.gz DZYVUZCAMRSJIN-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NCCCNS(C)(=O)=O ZINC000833837817 605678639 /nfs/dbraw/zinc/67/86/39/605678639.db2.gz AJBCSFVMCGQGNX-LLVKDONJSA-N -1 0 309.388 -0.274 20 0 DBADRM CN(C[C@@H]1CN(C(=O)CNC(=O)[O-])CCO1)c1cccnn1 ZINC000828266736 605683192 /nfs/dbraw/zinc/68/31/92/605683192.db2.gz IPJHJPFOHPDREB-SNVBAGLBSA-N -1 0 309.326 -0.592 20 0 DBADRM CCNC(=O)NC(=O)CN1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC000833657892 605686985 /nfs/dbraw/zinc/68/69/85/605686985.db2.gz SULDQUSKGTUNMN-RKDXNWHRSA-N -1 0 315.326 -0.830 20 0 DBADRM CN(CCNC(=O)CNC(=O)[O-])S(=O)(=O)c1cccs1 ZINC000286778025 605696534 /nfs/dbraw/zinc/69/65/34/605696534.db2.gz OHJRUJUEWYRXDH-UHFFFAOYSA-N -1 0 321.380 -0.248 20 0 DBADRM CNC(=O)[C@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C(C)C ZINC000828527284 605705594 /nfs/dbraw/zinc/70/55/94/605705594.db2.gz YFYJQJIUPOSRTP-MWLCHTKSSA-N -1 0 301.343 -0.358 20 0 DBADRM CC(C)(C)C[C@@H](CO)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000833791301 605708441 /nfs/dbraw/zinc/70/84/41/605708441.db2.gz WNAPNGIWNLWCGF-JTQLQIEISA-N -1 0 315.370 -0.278 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccccc1-c1nc[nH]n1 ZINC000834198660 605710568 /nfs/dbraw/zinc/71/05/68/605710568.db2.gz NFLSOAPISMZPAK-UHFFFAOYSA-N -1 0 318.293 -0.206 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000737123181 605710711 /nfs/dbraw/zinc/71/07/11/605710711.db2.gz WFESZHKMYIYGPR-VIFPVBQESA-N -1 0 309.388 -0.276 20 0 DBADRM CC[C@@]1(C)COCCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000833843777 605713663 /nfs/dbraw/zinc/71/36/63/605713663.db2.gz CXMJVCZOLNZVDB-AWEZNQCLSA-N -1 0 313.354 -0.164 20 0 DBADRM C[S@@](=O)CCCNC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000829698737 605713882 /nfs/dbraw/zinc/71/38/82/605713882.db2.gz BUWUZCIQERTUCM-HXUWFJFHSA-N -1 0 305.400 -0.397 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000736418874 605715817 /nfs/dbraw/zinc/71/58/17/605715817.db2.gz CNLOLGBFMLZRKJ-IUCAKERBSA-N -1 0 307.372 -0.442 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C1 ZINC000834016665 605715829 /nfs/dbraw/zinc/71/58/29/605715829.db2.gz FWDVXUWKSYLOHM-UHIISALHSA-N -1 0 314.338 -0.181 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C1 ZINC000834016661 605715996 /nfs/dbraw/zinc/71/59/96/605715996.db2.gz FWDVXUWKSYLOHM-SUNKGSAMSA-N -1 0 314.338 -0.181 20 0 DBADRM NC(=O)N1CC[C@@H](NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000831199373 605718288 /nfs/dbraw/zinc/71/82/88/605718288.db2.gz AOTWAUJQPICBTJ-NXEZZACHSA-N -1 0 314.342 -0.585 20 0 DBADRM O=C([O-])N1CC(CNC(=S)NCCCN2CCOCC2)C1 ZINC000834067867 605723022 /nfs/dbraw/zinc/72/30/22/605723022.db2.gz RERDLYDQMCFOSM-UHFFFAOYSA-N -1 0 316.427 -0.217 20 0 DBADRM O=C([O-])Nc1ccccc1C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000740055315 605724301 /nfs/dbraw/zinc/72/43/01/605724301.db2.gz BNUBUUAUKCVAGU-UHFFFAOYSA-N -1 0 321.289 -0.108 20 0 DBADRM O=C([O-])NCCN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000834239742 605729971 /nfs/dbraw/zinc/72/99/71/605729971.db2.gz ORWNCKWCUOANQH-NSHDSACASA-N -1 0 321.399 -0.620 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000823837631 605732090 /nfs/dbraw/zinc/73/20/90/605732090.db2.gz CTHJINKURFOVSK-DTWKUNHWSA-N -1 0 321.399 -0.052 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000825818517 605733848 /nfs/dbraw/zinc/73/38/48/605733848.db2.gz YWVNISRODGWLRJ-BDAKNGLRSA-N -1 0 310.310 -0.404 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000834035198 605734220 /nfs/dbraw/zinc/73/42/20/605734220.db2.gz JSZOFYHBHJXRIQ-NWDGAFQWSA-N -1 0 312.370 -0.241 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000833477791 605737099 /nfs/dbraw/zinc/73/70/99/605737099.db2.gz AMYBLFJVVZLRFU-JTQLQIEISA-N -1 0 311.342 -0.062 20 0 DBADRM COC[C@H]1CN(C(=O)CN2CCC(NC(=O)[O-])CC2)CCO1 ZINC000828930101 605738680 /nfs/dbraw/zinc/73/86/80/605738680.db2.gz OZNYNRGAPRUGEF-GFCCVEGCSA-N -1 0 315.370 -0.408 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NCC(=O)Nc2cccnc2)C1 ZINC000834005003 605741333 /nfs/dbraw/zinc/74/13/33/605741333.db2.gz LPXHAKFRMWSCNI-UHFFFAOYSA-N -1 0 307.310 -0.071 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCC1(CO)CCOCC1 ZINC000834021865 605743344 /nfs/dbraw/zinc/74/33/44/605743344.db2.gz LLCZVOSFWAFXJG-NXEZZACHSA-N -1 0 302.327 -0.995 20 0 DBADRM Cn1cnn(-c2ccc(NC(=O)NCCNC(=O)[O-])cc2)c1=O ZINC000833957456 605751796 /nfs/dbraw/zinc/75/17/96/605751796.db2.gz VBGMJTJKGIPXCS-UHFFFAOYSA-N -1 0 320.309 -0.040 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000833983590 605752630 /nfs/dbraw/zinc/75/26/30/605752630.db2.gz JATUKTWDKWJORO-SECBINFHSA-N -1 0 318.293 -0.283 20 0 DBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)NCC1CN(C(=O)[O-])C1 ZINC000834008234 605753026 /nfs/dbraw/zinc/75/30/26/605753026.db2.gz TXNCMGLJPLFHBN-UHFFFAOYSA-N -1 0 324.337 -0.423 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCCn1cnc2ccccc21 ZINC000833981019 605753042 /nfs/dbraw/zinc/75/30/42/605753042.db2.gz AXMIOZKYWRRGHT-SNVBAGLBSA-N -1 0 319.321 -0.336 20 0 DBADRM Cc1nccn1C[C@@H](C)CNC(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833916796 605753049 /nfs/dbraw/zinc/75/30/49/605753049.db2.gz BRRLBUZCTNXFBF-WCBMZHEXSA-N -1 0 311.342 -0.545 20 0 DBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CCNS(C)(=O)=O ZINC000825810718 605754236 /nfs/dbraw/zinc/75/42/36/605754236.db2.gz XDUANQSQDYGFII-DTWKUNHWSA-N -1 0 307.372 -0.427 20 0 DBADRM O=C([O-])N1CC(NS(=O)(=O)c2cn3c(n2)CCCC3)C1 ZINC000834069550 605755221 /nfs/dbraw/zinc/75/52/21/605755221.db2.gz CGEWDCFMJUZWIF-UHFFFAOYSA-N -1 0 300.340 -0.140 20 0 DBADRM CC[C@]1(C(=O)NCCCNS(C)(=O)=O)CCCN1C(=O)[O-] ZINC000833843684 605756212 /nfs/dbraw/zinc/75/62/12/605756212.db2.gz NWMKSUFFSKJPDU-GFCCVEGCSA-N -1 0 321.399 -0.036 20 0 DBADRM Cc1cccn2cc(CNC(=O)[C@@H](CC(N)=O)NC(=O)[O-])nc12 ZINC000833910925 605757423 /nfs/dbraw/zinc/75/74/23/605757423.db2.gz QGTHQSWZPPRUSB-SNVBAGLBSA-N -1 0 319.321 -0.229 20 0 DBADRM CC(C)c1nncn1CCNC(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833799251 605757979 /nfs/dbraw/zinc/75/79/79/605757979.db2.gz NHBFXIGWGMOZLH-MRVPVSSYSA-N -1 0 312.330 -0.971 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC000833981013 605758352 /nfs/dbraw/zinc/75/83/52/605758352.db2.gz ATHYTRPWNITDLB-SNVBAGLBSA-N -1 0 322.321 -0.596 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)NCC1CN(C(=O)[O-])C1 ZINC000833950571 605758951 /nfs/dbraw/zinc/75/89/51/605758951.db2.gz IKXODMCODNWPDN-UHFFFAOYSA-N -1 0 316.339 -0.988 20 0 DBADRM C[C@H](CCNC(=O)c1ccc(S(N)(=O)=O)nc1)NC(=O)[O-] ZINC000833804327 605759014 /nfs/dbraw/zinc/75/90/14/605759014.db2.gz FBRUSHHZRVFVSN-SSDOTTSWSA-N -1 0 316.339 -0.495 20 0 DBADRM O=C([O-])N1CC(CNC(=O)CNC(=O)c2ccc(O)cc2)C1 ZINC000834005901 605760064 /nfs/dbraw/zinc/76/00/64/605760064.db2.gz STELIMKTYYEFSF-UHFFFAOYSA-N -1 0 307.306 -0.152 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834041395 605760324 /nfs/dbraw/zinc/76/03/24/605760324.db2.gz LJWGBJSSWYRWOG-MRVPVSSYSA-N -1 0 310.314 -0.809 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccc2c(c1)COC2 ZINC000833983701 605763353 /nfs/dbraw/zinc/76/33/53/605763353.db2.gz WOVQOVBXKMMXEC-NSHDSACASA-N -1 0 307.306 -0.155 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)NCCNC(=O)c1ccn[nH]1)C1CC1 ZINC000834148669 605764700 /nfs/dbraw/zinc/76/47/00/605764700.db2.gz WYOZFQKVAJBHPY-JTQLQIEISA-N -1 0 324.341 -0.515 20 0 DBADRM CCN(CCCNC(=O)N1CC[C@@H](NC(N)=O)C1)C(=O)[O-] ZINC000833858587 605767159 /nfs/dbraw/zinc/76/71/59/605767159.db2.gz KCFAHSAFQMTWIK-SECBINFHSA-N -1 0 301.347 -0.171 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCn1cncn1 ZINC000833705819 605768125 /nfs/dbraw/zinc/76/81/25/605768125.db2.gz KIJFKBKZFOPXMQ-UWVGGRQHSA-N -1 0 310.310 -0.467 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CNC(=O)C1CC1 ZINC000833707030 605768336 /nfs/dbraw/zinc/76/83/36/605768336.db2.gz NIICHXOFUGJCOQ-UWVGGRQHSA-N -1 0 312.322 -0.623 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NC[C@H](O)COCC2CC2)C1 ZINC000834017853 605772732 /nfs/dbraw/zinc/77/27/32/605772732.db2.gz DTGANLGMBNIWPZ-NSHDSACASA-N -1 0 301.343 -0.317 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC000825808958 605772942 /nfs/dbraw/zinc/77/29/42/605772942.db2.gz LNIAKEJRLROXPV-NXEZZACHSA-N -1 0 324.337 -0.426 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000834051757 605775328 /nfs/dbraw/zinc/77/53/28/605775328.db2.gz LTZWYYDOWPVISQ-SYEHKZFSSA-N -1 0 306.318 -0.126 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000834018715 605775401 /nfs/dbraw/zinc/77/54/01/605775401.db2.gz LTZWYYDOWPVISQ-XYJRDEOASA-N -1 0 306.318 -0.126 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NC[C@H](CO)c1ccccc1 ZINC000831616197 605776781 /nfs/dbraw/zinc/77/67/81/605776781.db2.gz PTHUMDSJKJCEIM-FRRDWIJNSA-N -1 0 308.334 -0.008 20 0 DBADRM O=C([O-])N1CC[C@@H](N(C(=O)Cn2ccc(=O)[nH]c2=O)C2CC2)C1 ZINC000831921916 605784736 /nfs/dbraw/zinc/78/47/36/605784736.db2.gz KVQJHKGBEMFGQD-SNVBAGLBSA-N -1 0 322.321 -0.308 20 0 DBADRM O=C([O-])N1CC(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000834027335 605784883 /nfs/dbraw/zinc/78/48/83/605784883.db2.gz GAZUIVBPZGRLBV-VIFPVBQESA-N -1 0 307.310 -0.511 20 0 DBADRM Cn1nnnc1CCNC(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000833960371 605785314 /nfs/dbraw/zinc/78/53/14/605785314.db2.gz JGWLWGAFQFKBNP-LLVKDONJSA-N -1 0 318.337 -0.080 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H](C)N(C(=O)[O-])C[C@@H]1C ZINC000833883659 605785694 /nfs/dbraw/zinc/78/56/94/605785694.db2.gz PBXTYCQSGDQTNH-ZJUUUORDSA-N -1 0 309.388 -0.118 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000833810041 605789167 /nfs/dbraw/zinc/78/91/67/605789167.db2.gz WWBIUKMCVMDIPU-MNOVXSKESA-N -1 0 302.375 -0.090 20 0 DBADRM C[C@H](CNC(=O)NC[C@H](C)CNC(=O)[O-])N1CCOCC1 ZINC000833810043 605789253 /nfs/dbraw/zinc/78/92/53/605789253.db2.gz WWBIUKMCVMDIPU-WDEREUQCSA-N -1 0 302.375 -0.090 20 0 DBADRM CS(=O)(=O)NCCC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000829687122 605793326 /nfs/dbraw/zinc/79/33/26/605793326.db2.gz IJSVNLHOWDYIET-SNVBAGLBSA-N -1 0 319.383 -0.331 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2CCCCC[C@@H]2C(=O)[O-])C1=O ZINC000833697487 605795080 /nfs/dbraw/zinc/79/50/80/605795080.db2.gz HNMIZMXZVAQOJP-MRVPVSSYSA-N -1 0 311.294 -0.737 20 0 DBADRM O=C([O-])N[C@@H](CNC(=S)NCCN1CCOCC1)C1CC1 ZINC000834150472 605795880 /nfs/dbraw/zinc/79/58/80/605795880.db2.gz NIDIVGOTYTYHGC-NSHDSACASA-N -1 0 316.427 -0.171 20 0 DBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)NCCc1nnnn1C ZINC000833870844 605796159 /nfs/dbraw/zinc/79/61/59/605796159.db2.gz MVOHJSZTWPQBKL-UHFFFAOYSA-N -1 0 313.362 -0.312 20 0 DBADRM Cn1nnnc1CCNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000833959540 605797184 /nfs/dbraw/zinc/79/71/84/605797184.db2.gz AKHDDUZIHMEEKA-VIFPVBQESA-N -1 0 311.346 -0.558 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@H](NC(=O)[O-])C1CC1 ZINC000833878599 605803002 /nfs/dbraw/zinc/80/30/02/605803002.db2.gz IQLWKQANPOGVBV-VIFPVBQESA-N -1 0 323.371 -0.638 20 0 DBADRM C[C@@H](CC(=O)N1CCC(C(=O)NCCCO)CC1)NC(=O)[O-] ZINC000824565321 605807578 /nfs/dbraw/zinc/80/75/78/605807578.db2.gz MUAFIBNYQNSDNV-JTQLQIEISA-N -1 0 315.370 -0.230 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCS[C@H]2COCC[C@H]21 ZINC000831852190 605808291 /nfs/dbraw/zinc/80/82/91/605808291.db2.gz LYLFXDITISJTJN-DBIOUOCHSA-N -1 0 316.379 -0.168 20 0 DBADRM O=C([O-])N1CCSC[C@H]1CC(=O)N1CCN(CCO)CC1 ZINC000831402154 605809957 /nfs/dbraw/zinc/80/99/57/605809957.db2.gz LBPOIHOGKKIOFX-LLVKDONJSA-N -1 0 317.411 -0.392 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000833808341 605812769 /nfs/dbraw/zinc/81/27/69/605812769.db2.gz CYRCXCMQLSWQKF-WBSSQXGSSA-N -1 0 324.337 -0.883 20 0 DBADRM Cn1cnnc1CN1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000831046015 605814823 /nfs/dbraw/zinc/81/48/23/605814823.db2.gz IPVNTOOJXOHEDT-JTQLQIEISA-N -1 0 310.358 -0.589 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000834023041 605818870 /nfs/dbraw/zinc/81/88/70/605818870.db2.gz UGSACBKAGOQNLN-ONGXEEELSA-N -1 0 311.338 -0.508 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)N[C@H]1CCN(C(=O)[O-])C1)CC2 ZINC000833927967 605821693 /nfs/dbraw/zinc/82/16/93/605821693.db2.gz PSMTUHHUXAPBLU-ZJUUUORDSA-N -1 0 308.342 -0.047 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)NC[C@@H]1CCCS1(=O)=O)C1CC1 ZINC000834143316 605823811 /nfs/dbraw/zinc/82/38/11/605823811.db2.gz FONZEJBXYJXTAK-VHSXEESVSA-N -1 0 319.383 -0.091 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NC[C@@H](O)c2ccncc2)C(=O)C1 ZINC000834005717 605825848 /nfs/dbraw/zinc/82/58/48/605825848.db2.gz OWKXWSJACJWHCN-LLVKDONJSA-N -1 0 322.321 -0.947 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000833807991 605827027 /nfs/dbraw/zinc/82/70/27/605827027.db2.gz ACQZAHMKBXNNHG-QMMMGPOBSA-N -1 0 321.341 -0.191 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCc3nc[nH]c(=O)c3C2)C1 ZINC000834118069 605833134 /nfs/dbraw/zinc/83/31/34/605833134.db2.gz MMCWULCRRLSEEB-SECBINFHSA-N -1 0 322.321 -0.164 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCc3nc[nH]c(=O)c3C2)C1 ZINC000834117181 605833190 /nfs/dbraw/zinc/83/31/90/605833190.db2.gz QDDYDEZXXBCOOS-JTQLQIEISA-N -1 0 308.294 -0.554 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC000834040892 605841516 /nfs/dbraw/zinc/84/15/16/605841516.db2.gz FQPFKTINYWHNIO-GFCCVEGCSA-N -1 0 321.381 -0.143 20 0 DBADRM O=C([O-])N1CCCC[C@@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000834040413 605852075 /nfs/dbraw/zinc/85/20/75/605852075.db2.gz AZSALRPFGULMJJ-SNVBAGLBSA-N -1 0 309.326 -0.212 20 0 DBADRM O=C([O-])N1CCC2(C[C@@H]2C(=O)NC[C@H]2CN3CCN2CC3)CC1 ZINC000834035912 605852758 /nfs/dbraw/zinc/85/27/58/605852758.db2.gz AFSRTFHEYYVAMD-QWHCGFSZSA-N -1 0 322.409 -0.118 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000834171840 605852833 /nfs/dbraw/zinc/85/28/33/605852833.db2.gz GSZKNBIZCFWBOI-RKDXNWHRSA-N -1 0 309.326 -0.308 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000834171838 605852885 /nfs/dbraw/zinc/85/28/85/605852885.db2.gz GSZKNBIZCFWBOI-DTWKUNHWSA-N -1 0 309.326 -0.308 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)c2cc(C(=O)[O-])no2)CC1 ZINC000833688488 605872034 /nfs/dbraw/zinc/87/20/34/605872034.db2.gz RKVDZRUDFRUIKQ-UHFFFAOYSA-N -1 0 324.337 -0.345 20 0 DBADRM CCN(C1CN(C(=O)[O-])C1)S(=O)(=O)CCOCCOC ZINC000833856439 605872228 /nfs/dbraw/zinc/87/22/28/605872228.db2.gz ISJVZHHGZGXSGK-UHFFFAOYSA-N -1 0 310.372 -0.337 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)CNC(=O)c1cccnc1)C1CC1 ZINC000834140435 605873771 /nfs/dbraw/zinc/87/37/71/605873771.db2.gz OIBDSDRWSIFQCN-LLVKDONJSA-N -1 0 306.322 -0.026 20 0 DBADRM COC1(C(=O)N2CCO[C@@H](CO)C2)CCN(C(=O)[O-])CC1 ZINC000828849808 605875949 /nfs/dbraw/zinc/87/59/49/605875949.db2.gz WOONOPKBCIDETD-SNVBAGLBSA-N -1 0 302.327 -0.635 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCO[C@@H](CO)C1 ZINC000826099203 605876417 /nfs/dbraw/zinc/87/64/17/605876417.db2.gz AQHVKVJIXNLJSZ-AEJSXWLSSA-N -1 0 302.327 -0.291 20 0 DBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCO[C@@H](CO)C2)C1 ZINC000831997724 605876989 /nfs/dbraw/zinc/87/69/89/605876989.db2.gz PJTVGVNSQMKONS-GHMZBOCLSA-N -1 0 302.327 -0.635 20 0 DBADRM CN(C)C(=O)CCN1CCN(C(=O)c2cc(C(=O)[O-])no2)CC1 ZINC000833687846 605877197 /nfs/dbraw/zinc/87/71/97/605877197.db2.gz YDSJLBPVTRCGJB-UHFFFAOYSA-N -1 0 324.337 -0.391 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)NCCN2CCNC(=O)C2)cc1 ZINC000834249463 605879186 /nfs/dbraw/zinc/87/91/86/605879186.db2.gz WEBPIYQXSUDLLP-UHFFFAOYSA-N -1 0 320.349 -0.384 20 0 DBADRM O=C([O-])N[C@@H](C(=O)NCCN1CCNC(=O)C1)c1ccccc1 ZINC000834250127 605879255 /nfs/dbraw/zinc/87/92/55/605879255.db2.gz DSMVYSIYWNLLGW-CYBMUJFWSA-N -1 0 320.349 -0.457 20 0 DBADRM O=C([O-])N(CC(=O)NCCN1CCNC(=O)C1)c1ccccc1 ZINC000834290259 605879695 /nfs/dbraw/zinc/87/96/95/605879695.db2.gz SKTBKYCVZMRIKH-UHFFFAOYSA-N -1 0 320.349 -0.281 20 0 DBADRM O=C([O-])Nc1ccc(CC(=O)NCCN2CCNC(=O)C2)cc1 ZINC000834254969 605879900 /nfs/dbraw/zinc/87/99/00/605879900.db2.gz CWBCHMAWHXWADS-UHFFFAOYSA-N -1 0 320.349 -0.133 20 0 DBADRM O=C([O-])NCCCCC(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000834236582 605898997 /nfs/dbraw/zinc/89/89/97/605898997.db2.gz QYZXLLGQYKWCQK-LLVKDONJSA-N -1 0 311.342 -0.057 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000834037144 605902664 /nfs/dbraw/zinc/90/26/64/605902664.db2.gz LSLKZAMMEGAVIS-GMTAPVOTSA-N -1 0 314.338 -0.099 20 0 DBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000834240103 605903193 /nfs/dbraw/zinc/90/31/93/605903193.db2.gz ITDGTFQBSILNQJ-MNOVXSKESA-N -1 0 313.354 -0.212 20 0 DBADRM CNS(=O)(=O)c1ccc(N2CC[C@H](NC(=O)[O-])C2)nc1 ZINC000739748226 605907171 /nfs/dbraw/zinc/90/71/71/605907171.db2.gz AXRABRSHTSXCTB-QMMMGPOBSA-N -1 0 300.340 -0.164 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000738525476 605914958 /nfs/dbraw/zinc/91/49/58/605914958.db2.gz VRHXDIMFCLYFCT-PWSUYJOCSA-N -1 0 312.370 -0.593 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)C1CC1 ZINC000834139412 605916143 /nfs/dbraw/zinc/91/61/43/605916143.db2.gz JGMIPAMYHNSOLK-JTQLQIEISA-N -1 0 319.321 -0.342 20 0 DBADRM O=C([O-])N[C@H]1CCN(CC(=O)NCCCN2CCCC2=O)C1 ZINC000740594562 605921959 /nfs/dbraw/zinc/92/19/59/605921959.db2.gz QBMQLTJMJHESMG-NSHDSACASA-N -1 0 312.370 -0.543 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)CCCCNC(=O)[O-])C1 ZINC000833987071 605922471 /nfs/dbraw/zinc/92/24/71/605922471.db2.gz XLAHCLVHQXTXPS-JTQLQIEISA-N -1 0 321.399 -0.049 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)ccc1=O ZINC000833951627 605923734 /nfs/dbraw/zinc/92/37/34/605923734.db2.gz VMVKQCGIFRAGEU-VIFPVBQESA-N -1 0 322.321 -0.418 20 0 DBADRM O=C([O-])NCc1cccc(NC(=O)C[C@@H]2NC(=O)NC2=O)c1 ZINC000834247854 605925493 /nfs/dbraw/zinc/92/54/93/605925493.db2.gz SQKNVFUQJZKBSX-VIFPVBQESA-N -1 0 306.278 -0.009 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)c2ccc(CNC(=O)[O-])o2)CCO1 ZINC000833874858 605929468 /nfs/dbraw/zinc/92/94/68/605929468.db2.gz BMGWIAGQSOIOIR-SNVBAGLBSA-N -1 0 311.294 -0.366 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@@H](CC(C)C)NC(=O)[O-])CCO1 ZINC000833879638 605929738 /nfs/dbraw/zinc/92/97/38/605929738.db2.gz YNNFTQFGUAXRQC-ZJUUUORDSA-N -1 0 301.343 -0.358 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)CC[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000833878769 605929819 /nfs/dbraw/zinc/92/98/19/605929819.db2.gz UMAWSYCNMNFUEX-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)CCC(C)(C)NC(=O)[O-])CCO1 ZINC000833877183 605929823 /nfs/dbraw/zinc/92/98/23/605929823.db2.gz LYBKDIYKNXAWOU-SECBINFHSA-N -1 0 301.343 -0.214 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)[O-])CCO1 ZINC000833875005 605931180 /nfs/dbraw/zinc/93/11/80/605931180.db2.gz GKCNVFAYOFZFJN-SFYZADRCSA-N -1 0 303.340 -0.987 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000833879115 605931212 /nfs/dbraw/zinc/93/12/12/605931212.db2.gz WYOOADYXWOCCTC-PRHODGIISA-N -1 0 303.290 -0.948 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)[O-])CCO1 ZINC000833876336 605931221 /nfs/dbraw/zinc/93/12/21/605931221.db2.gz GKCNVFAYOFZFJN-YUMQZZPRSA-N -1 0 303.340 -0.987 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@@H](CC(F)F)NC(=O)[O-])CCO1 ZINC000833876131 605931242 /nfs/dbraw/zinc/93/12/42/605931242.db2.gz FPCNJSGKERRBDN-RQJHMYQMSA-N -1 0 309.269 -0.749 20 0 DBADRM Cn1cc(S(=O)(=O)NCCN2CC[C@H](NC(=O)[O-])C2)cn1 ZINC000831014751 605934989 /nfs/dbraw/zinc/93/49/89/605934989.db2.gz ZDJFCONUZCXFNG-VIFPVBQESA-N -1 0 317.371 -0.960 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@@]2(C)CCCCN2C(=O)[O-])CCO1 ZINC000833875743 605935891 /nfs/dbraw/zinc/93/58/91/605935891.db2.gz ALFZYKASADZLOQ-QMTHXVAHSA-N -1 0 313.354 -0.118 20 0 DBADRM CNC(=O)c1cccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000833878299 605940657 /nfs/dbraw/zinc/94/06/57/605940657.db2.gz XIRPCRMYPDJQSB-UHFFFAOYSA-N -1 0 320.305 -0.537 20 0 DBADRM O=C([O-])N1CC[C@H](CCC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000834289087 605942328 /nfs/dbraw/zinc/94/23/28/605942328.db2.gz JPPZTGRGEUFSCH-UWVGGRQHSA-N -1 0 324.337 -0.471 20 0 DBADRM COCCN(CC(=O)N[C@@H]1CCN(C(C)=O)C[C@H]1C)C(=O)[O-] ZINC000833884265 605943456 /nfs/dbraw/zinc/94/34/56/605943456.db2.gz HGXQPOUUZYKMNH-ZYHUDNBSSA-N -1 0 315.370 -0.014 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCCn2ncnn2)cc1 ZINC000834261474 605944847 /nfs/dbraw/zinc/94/48/47/605944847.db2.gz BBWYJYHPSRDXQH-UHFFFAOYSA-N -1 0 319.281 -0.482 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)NCC1(O)CCOCC1)C1CC1 ZINC000834143775 605946612 /nfs/dbraw/zinc/94/66/12/605946612.db2.gz HJDRNMDIENMTCD-JTQLQIEISA-N -1 0 301.343 -0.127 20 0 DBADRM Cc1nc(NC(=O)[O-])sc1C(=O)OCC(=O)NC(N)=O ZINC000833915007 605953268 /nfs/dbraw/zinc/95/32/68/605953268.db2.gz ZSNOMMSRCLLCFF-UHFFFAOYSA-N -1 0 302.268 -0.107 20 0 DBADRM Cc1nnc(COC(=O)[C@@H](CC(N)=O)NC(=O)[O-])n1C1CC1 ZINC000833927375 605955905 /nfs/dbraw/zinc/95/59/05/605955905.db2.gz SQBLFJKXJDAKGW-MRVPVSSYSA-N -1 0 311.298 -0.524 20 0 DBADRM COC(=O)CCN1CCN(C(=O)CN(C)C(=O)[O-])[C@H](C)C1 ZINC000833877668 605957077 /nfs/dbraw/zinc/95/70/77/605957077.db2.gz BCUPIHXROUBTCL-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)[C@@H](O)c2ccccc2)CC1 ZINC000831615920 605958272 /nfs/dbraw/zinc/95/82/72/605958272.db2.gz JCHFINAOCVIUMJ-ZDUSSCGKSA-N -1 0 321.333 -0.342 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@@H](C)NC(=O)[O-])[C@H](C)C1 ZINC000833880121 605978213 /nfs/dbraw/zinc/97/82/13/605978213.db2.gz TXUISGHROKWMFA-NXEZZACHSA-N -1 0 301.343 -0.262 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000834192474 605980802 /nfs/dbraw/zinc/98/08/02/605980802.db2.gz HMLDOTVRIULZMG-GFCCVEGCSA-N -1 0 320.349 -0.144 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)OCC2CCS(=O)(=O)CC2)C1 ZINC000834284520 605984739 /nfs/dbraw/zinc/98/47/39/605984739.db2.gz DIZPUBNISOEIMG-JTQLQIEISA-N -1 0 321.351 -0.267 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N[C@H]2CN(c3ccccc3)C2=O)C1 ZINC000834019596 605989761 /nfs/dbraw/zinc/98/97/61/605989761.db2.gz PXQREYJGVRMGAV-NWDGAFQWSA-N -1 0 319.317 -0.103 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCN(c3ncccn3)CC2)C1 ZINC000834158498 605992542 /nfs/dbraw/zinc/99/25/42/605992542.db2.gz MDDGNDLVWMTWJV-LLVKDONJSA-N -1 0 320.353 -0.575 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCC(NC(=O)C3CC3)CC2)C1 ZINC000834159128 605993915 /nfs/dbraw/zinc/99/39/15/605993915.db2.gz XNSCWKVKAWQWFQ-GFCCVEGCSA-N -1 0 324.381 -0.197 20 0 DBADRM COCC1(O)CCN(CN2C[C@H](NC(=O)[O-])CC2=O)CC1 ZINC000833881544 605996957 /nfs/dbraw/zinc/99/69/57/605996957.db2.gz FVVLGWVSRCQJGY-SNVBAGLBSA-N -1 0 301.343 -0.714 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCN3C(=O)OCC[C@@H]3C2)C1 ZINC000834156949 605997449 /nfs/dbraw/zinc/99/74/49/605997449.db2.gz DQDPBCULBCFQFK-VHSXEESVSA-N -1 0 312.326 -0.661 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCN3C(=O)OCC[C@H]3C2)C1 ZINC000834156951 605997502 /nfs/dbraw/zinc/99/75/02/605997502.db2.gz DQDPBCULBCFQFK-ZJUUUORDSA-N -1 0 312.326 -0.661 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCc1ccc(CO)cc1 ZINC000834043168 606001789 /nfs/dbraw/zinc/00/17/89/606001789.db2.gz RJLUODLGCJLBEO-STQMWFEESA-N -1 0 308.334 -0.049 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000834135787 606002010 /nfs/dbraw/zinc/00/20/10/606002010.db2.gz ZWCZLUZMAMDLKG-NTSWFWBYSA-N -1 0 300.283 -0.419 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2cnc(NC(=O)[O-])cn2)O1 ZINC000833982939 606005816 /nfs/dbraw/zinc/00/58/16/606005816.db2.gz ZVNBLPULXSZRNA-XPUUQOCRSA-N -1 0 309.282 -0.671 20 0 DBADRM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCCNS(C)(=O)=O ZINC000833824879 606006842 /nfs/dbraw/zinc/00/68/42/606006842.db2.gz JQJLJGRDTWZHRS-JOYOIKCWSA-N -1 0 321.399 -0.132 20 0 DBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)CCNC(=O)[O-])C1=O ZINC000833759785 606007443 /nfs/dbraw/zinc/00/74/43/606007443.db2.gz HYOZTJIFOOHSLJ-SNVBAGLBSA-N -1 0 323.353 -0.315 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)NCCC(=O)N1CCOCC1 ZINC000834130996 606008610 /nfs/dbraw/zinc/00/86/10/606008610.db2.gz GZESFCUKZFZJTC-MRVPVSSYSA-N -1 0 323.296 -0.357 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCN(C(=O)[O-])[C@H](C)[C@H]1C ZINC000833883693 606014478 /nfs/dbraw/zinc/01/44/78/606014478.db2.gz PUFGWSJTUJDIEB-NXEZZACHSA-N -1 0 309.388 -0.118 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)NCC(=O)N2CCOCC2)C1 ZINC000834019256 606016617 /nfs/dbraw/zinc/01/66/17/606016617.db2.gz MRVZELISGFCXDR-JTQLQIEISA-N -1 0 314.342 -0.713 20 0 DBADRM O=C([O-])N1CCCN(C(=O)NCC(=O)N2CCOCC2)CC1 ZINC000834102465 606016683 /nfs/dbraw/zinc/01/66/83/606016683.db2.gz DDNLBJIBOWNMHL-UHFFFAOYSA-N -1 0 314.342 -0.760 20 0 DBADRM Cn1ccc(CNC(=O)NCCN2CCN(C(=O)[O-])CC2)n1 ZINC000833952579 606025284 /nfs/dbraw/zinc/02/52/84/606025284.db2.gz JMKNQTDNJOPFAI-UHFFFAOYSA-N -1 0 310.358 -0.485 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCCS(=O)(=O)CC1 ZINC000834129756 606044512 /nfs/dbraw/zinc/04/45/12/606044512.db2.gz DUBCMSWOEFJKOU-SSDOTTSWSA-N -1 0 314.310 -0.075 20 0 DBADRM NC(=O)CN1CCN(C(=O)Cc2ccccc2NC(=O)[O-])CC1 ZINC000833985023 606051285 /nfs/dbraw/zinc/05/12/85/606051285.db2.gz MNMLVIKHOKKCQX-UHFFFAOYSA-N -1 0 320.349 -0.052 20 0 DBADRM NC(=O)CCn1ccc(NC(=O)[C@@H](CC(F)F)NC(=O)[O-])n1 ZINC000833985712 606051782 /nfs/dbraw/zinc/05/17/82/606051782.db2.gz UNVFCSPLKCKUNT-ZCFIWIBFSA-N -1 0 319.268 -0.012 20 0 DBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)[C@H]3CCCO3)n2)CC1 ZINC000831810963 606065124 /nfs/dbraw/zinc/06/51/24/606065124.db2.gz WDBAYSDADXWBDO-MRVPVSSYSA-N -1 0 310.314 -0.278 20 0 DBADRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCCC(=O)NC(N)=O ZINC000833824559 606065424 /nfs/dbraw/zinc/06/54/24/606065424.db2.gz FOHICVISGWZKIG-OQPBUACISA-N -1 0 314.342 -0.096 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H](CC(F)F)NC(=O)[O-])O1 ZINC000833982468 606069853 /nfs/dbraw/zinc/06/98/53/606069853.db2.gz WDOBRVNGKLLZBF-QYNIQEEDSA-N -1 0 309.269 -0.573 20 0 DBADRM O=C([O-])N1CC[C@@H](CNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000834031618 606072971 /nfs/dbraw/zinc/07/29/71/606072971.db2.gz YPJVGZPZRYOXIQ-DTWKUNHWSA-N -1 0 305.356 -0.527 20 0 DBADRM O=C([O-])N1CC[C@@H](CNC(=O)NCCN2CCOCC2)C1 ZINC000834042781 606073000 /nfs/dbraw/zinc/07/30/00/606073000.db2.gz ZXMFMSQECPHOTP-NSHDSACASA-N -1 0 300.359 -0.382 20 0 DBADRM O=C([O-])NC1(CNC(=O)N[C@H]2CCS(=O)(=O)C2)CCC1 ZINC000834155390 606073416 /nfs/dbraw/zinc/07/34/16/606073416.db2.gz SDXKQXCKBBUTBP-QMMMGPOBSA-N -1 0 305.356 -0.337 20 0 DBADRM NC(=O)CNC(=S)N1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1 ZINC000833985855 606076199 /nfs/dbraw/zinc/07/61/99/606076199.db2.gz YUIGDFCXCNPPQP-XHNCKOQMSA-N -1 0 300.384 -0.286 20 0 DBADRM O=C([O-])N[C@@H](C(=O)NCC(=O)N1CCOCC1)c1ccccc1 ZINC000834250921 606076349 /nfs/dbraw/zinc/07/63/49/606076349.db2.gz JZQVJAZTBDNSTI-CYBMUJFWSA-N -1 0 321.333 -0.030 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000834133328 606078671 /nfs/dbraw/zinc/07/86/71/606078671.db2.gz OSOPARRSHONDRW-IUCAKERBSA-N -1 0 306.313 -0.606 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCC1CCS(=O)(=O)CC1 ZINC000834031359 606087221 /nfs/dbraw/zinc/08/72/21/606087221.db2.gz NWXKKBBVFQIRFC-ZJUUUORDSA-N -1 0 320.367 -0.959 20 0 DBADRM Cn1ccnc1[C@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])C1 ZINC000833955617 606099006 /nfs/dbraw/zinc/09/90/06/606099006.db2.gz SPUTXSVKXVSNBG-IUCAKERBSA-N -1 0 309.326 -0.752 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCCc1cnc(C2CC2)nc1 ZINC000833983853 606099109 /nfs/dbraw/zinc/09/91/09/606099109.db2.gz XTILFDYJWGSIQZ-SNVBAGLBSA-N -1 0 321.337 -0.476 20 0 DBADRM O=C(CCOC1CN(C(=O)[O-])C1)OCc1nnnn1C1CC1 ZINC000833994168 606103609 /nfs/dbraw/zinc/10/36/09/606103609.db2.gz LTKSJUFQPSNBRT-UHFFFAOYSA-N -1 0 311.298 -0.180 20 0 DBADRM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)C(=O)NCCO)cc2C1 ZINC000834190657 606106905 /nfs/dbraw/zinc/10/69/05/606106905.db2.gz YUWSJHFHZWRBOB-SECBINFHSA-N -1 0 322.321 -0.747 20 0 DBADRM O=C([O-])NC1(C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000834150369 606107794 /nfs/dbraw/zinc/10/77/94/606107794.db2.gz BDOOXSUYGQRQOY-VIFPVBQESA-N -1 0 300.311 -0.175 20 0 DBADRM C[C@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@H]1C ZINC000820727411 606424240 /nfs/dbraw/zinc/42/42/40/606424240.db2.gz LTBHIXXYMCHAOU-YUMQZZPRSA-N -1 0 305.342 -0.501 20 0 DBADRM CC(C)[C@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000820044933 606725821 /nfs/dbraw/zinc/72/58/21/606725821.db2.gz JFQMNFGUPCXKOE-VIFPVBQESA-N -1 0 319.369 -0.254 20 0 DBADRM CC[C@@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000820988870 606725878 /nfs/dbraw/zinc/72/58/78/606725878.db2.gz IILNZKPCLIXIIZ-MRVPVSSYSA-N -1 0 305.342 -0.500 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000387184619 607109734 /nfs/dbraw/zinc/10/97/34/607109734.db2.gz XNZIYBRUEMDOQK-SNVBAGLBSA-N -1 0 303.278 -0.208 20 0 DBADRM C[C@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)Cn1cccn1 ZINC000820259911 607208216 /nfs/dbraw/zinc/20/82/16/607208216.db2.gz CMLUKZWRWPMAMX-SECBINFHSA-N -1 0 316.329 -0.893 20 0 DBADRM Cc1ncc(CN(C)C(=O)Cn2cnc(-c3nnn[n-]3)n2)s1 ZINC000822468048 607208924 /nfs/dbraw/zinc/20/89/24/607208924.db2.gz WECUYMAWSPMDAC-UHFFFAOYSA-N -1 0 319.354 -0.118 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@H]1Cc2ccccc21 ZINC000823126341 607209299 /nfs/dbraw/zinc/20/92/99/607209299.db2.gz IJJUDFZJVBEISI-SNVBAGLBSA-N -1 0 310.321 -0.086 20 0 DBADRM COCCN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CCCC1 ZINC000821688241 607209467 /nfs/dbraw/zinc/20/94/67/607209467.db2.gz DEXZQVZGKUYHIZ-UHFFFAOYSA-N -1 0 320.357 -0.124 20 0 DBADRM CCO[C@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821367420 607210165 /nfs/dbraw/zinc/21/01/65/607210165.db2.gz IVVQGDZKXNCVBQ-VIFPVBQESA-N -1 0 306.330 -0.514 20 0 DBADRM CCN(C[C@H]1CCCO1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821197379 607210266 /nfs/dbraw/zinc/21/02/66/607210266.db2.gz KDAXZLAUNDSFFJ-SECBINFHSA-N -1 0 306.330 -0.514 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC(C)(C)O1 ZINC000820733493 607210898 /nfs/dbraw/zinc/21/08/98/607210898.db2.gz GOWCGQZNIMSJOG-MRVPVSSYSA-N -1 0 306.330 -0.516 20 0 DBADRM CC(C)c1cc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)on1 ZINC000820187615 607217166 /nfs/dbraw/zinc/21/71/66/607217166.db2.gz JRNSJXUREIWOQW-UHFFFAOYSA-N -1 0 317.313 -0.114 20 0 DBADRM CC(=O)c1cnc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)s1 ZINC000819844627 607217308 /nfs/dbraw/zinc/21/73/08/607217308.db2.gz JSIACHHUGLXOCU-UHFFFAOYSA-N -1 0 319.310 -0.244 20 0 DBADRM CCc1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n(C)n1 ZINC000821470154 607217701 /nfs/dbraw/zinc/21/77/01/607217701.db2.gz MMEKRTALKJLZCB-UHFFFAOYSA-N -1 0 302.302 -0.607 20 0 DBADRM CC[C@@H](C)[C@](C)(O)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820859053 607219457 /nfs/dbraw/zinc/21/94/57/607219457.db2.gz AWOUGDYTIPXLCI-PRHODGIISA-N -1 0 308.346 -0.629 20 0 DBADRM CCC(CC)(NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC000820887896 607219938 /nfs/dbraw/zinc/21/99/38/607219938.db2.gz WXWCCNOAEQUZLY-UHFFFAOYSA-N -1 0 322.329 -0.694 20 0 DBADRM COc1ccc(C)nc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821782772 607221169 /nfs/dbraw/zinc/22/11/69/607221169.db2.gz NMPUTPKQPDORCE-UHFFFAOYSA-N -1 0 315.297 -0.191 20 0 DBADRM C[C@]1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCS1 ZINC000820612898 607223006 /nfs/dbraw/zinc/22/30/06/607223006.db2.gz MUKBCUPDKGIDDZ-LLVKDONJSA-N -1 0 308.371 -0.140 20 0 DBADRM CN(Cc1cccc(O)c1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821614815 607223362 /nfs/dbraw/zinc/22/33/62/607223362.db2.gz VTQXISOZLOBZDD-UHFFFAOYSA-N -1 0 314.309 -0.178 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@H]2COCC[C@H]21 ZINC000823127236 607223513 /nfs/dbraw/zinc/22/35/13/607223513.db2.gz XLMWVXHCZPRJOA-VHSXEESVSA-N -1 0 318.341 -0.514 20 0 DBADRM COCCC1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCC1 ZINC000821686265 607223845 /nfs/dbraw/zinc/22/38/45/607223845.db2.gz HNNLSGOBRRXZCL-UHFFFAOYSA-N -1 0 320.357 -0.219 20 0 DBADRM O=C([N-]S(=O)(=O)CC(F)(F)F)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826449649 607778620 /nfs/dbraw/zinc/77/86/20/607778620.db2.gz CTYNVCUWQGGODI-UHFFFAOYSA-N -1 0 324.244 -0.183 20 0 DBADRM O=C([N-]S(=O)(=O)CCCF)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826449915 607778685 /nfs/dbraw/zinc/77/86/85/607778685.db2.gz OPISTESCSDWJEE-UHFFFAOYSA-N -1 0 302.291 -0.386 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC3(CC(F)C3)C2)n(C)c1=O ZINC000826356073 607809567 /nfs/dbraw/zinc/80/95/67/607809567.db2.gz ZCROWLGRVWILKO-UHFFFAOYSA-N -1 0 321.316 -0.798 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000825897971 608009883 /nfs/dbraw/zinc/00/98/83/608009883.db2.gz SPKRPTGNZXYFQH-UHFFFAOYSA-N -1 0 315.286 -0.289 20 0 DBADRM O=C([O-])CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000826461557 608010826 /nfs/dbraw/zinc/01/08/26/608010826.db2.gz ZJPDUHHWORTSDE-UHFFFAOYSA-N -1 0 317.714 -0.117 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCCC[C@@H]1CCO ZINC000826425103 608054320 /nfs/dbraw/zinc/05/43/20/608054320.db2.gz PYHGOARNJOFKMZ-SECBINFHSA-N -1 0 306.330 -0.778 20 0 DBADRM COc1ncccc1Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC000826222484 608095499 /nfs/dbraw/zinc/09/54/99/608095499.db2.gz YOPANZGDKGDWCA-UHFFFAOYSA-N -1 0 315.293 -0.821 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CCOCC(F)(F)F)c1=O ZINC000826356247 608096341 /nfs/dbraw/zinc/09/63/41/608096341.db2.gz IBQBJBNROTYLFU-UHFFFAOYSA-N -1 0 320.231 -0.694 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@]2(C)CCCOC2)n(C)c1=O ZINC000826356036 608244540 /nfs/dbraw/zinc/24/45/40/608244540.db2.gz XXTPZBSDYWELGS-ZDUSSCGKSA-N -1 0 321.341 -0.755 20 0 DBADRM NC(=O)CO[N-]C(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000826391523 608280559 /nfs/dbraw/zinc/28/05/59/608280559.db2.gz OUAZHJOZTBEVLE-UHFFFAOYSA-N -1 0 322.350 -0.367 20 0 DBADRM NC(=O)CO[N-]C(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000826391629 608280608 /nfs/dbraw/zinc/28/06/08/608280608.db2.gz UMIRSCSWSCUWCH-UHFFFAOYSA-N -1 0 308.323 -0.508 20 0 DBADRM C[C@@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@H]1C ZINC000824961844 608302395 /nfs/dbraw/zinc/30/23/95/608302395.db2.gz JWEONAFOQOWSRQ-RKDXNWHRSA-N -1 0 319.369 -0.254 20 0 DBADRM CN(CC(=O)[O-])C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000825896997 609160022 /nfs/dbraw/zinc/16/00/22/609160022.db2.gz AOOWITSLBNBHEK-UHFFFAOYSA-N -1 0 320.309 -0.029 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC/C=C/C(=O)[O-])C1 ZINC000313804656 665438381 /nfs/dbraw/zinc/43/83/81/665438381.db2.gz GQRBUQLFOARENX-QLCVYAKKSA-N -1 0 320.367 -0.263 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2C(=O)c2cn[nH]n2)c1[O-] ZINC000977559209 665480569 /nfs/dbraw/zinc/48/05/69/665480569.db2.gz LZHTVOUOILKTLF-QMMMGPOBSA-N -1 0 319.325 -0.471 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC000977663862 665492323 /nfs/dbraw/zinc/49/23/23/665492323.db2.gz BSWNZUCMAOWLPT-MRVPVSSYSA-N -1 0 321.341 -0.158 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cnccn1 ZINC000977728420 665497337 /nfs/dbraw/zinc/49/73/37/665497337.db2.gz JWJZTKSJRIZVBE-OWUUHHOZSA-N -1 0 315.337 -0.592 20 0 DBADRM CC(C)(F)C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001009783176 665507311 /nfs/dbraw/zinc/50/73/11/665507311.db2.gz GINLJYWWJKMIAA-UHFFFAOYSA-N -1 0 313.289 -0.685 20 0 DBADRM Cc1nc(C(=O)NC[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)co1 ZINC000978046214 665514132 /nfs/dbraw/zinc/51/41/32/665514132.db2.gz NHUBUDFXBTVMFE-OWUUHHOZSA-N -1 0 318.337 -0.085 20 0 DBADRM CC(F)(F)C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001009794087 665516113 /nfs/dbraw/zinc/51/61/13/665516113.db2.gz WWYRCIXWHAZQLS-UHFFFAOYSA-N -1 0 317.252 -0.778 20 0 DBADRM CCCC(=O)N1CC[C@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978069875 665516757 /nfs/dbraw/zinc/51/67/57/665516757.db2.gz IYNPNKHIVIUFHP-QMMMGPOBSA-N -1 0 309.326 -0.244 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978071009 665516803 /nfs/dbraw/zinc/51/68/03/665516803.db2.gz KAKRQZDOPAWBQK-VGANXODHSA-N -1 0 321.337 -0.078 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)C(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978072174 665516812 /nfs/dbraw/zinc/51/68/12/665516812.db2.gz NFXNMISDGQVTIH-YFKPBYRVSA-N -1 0 317.252 -0.779 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001027628675 665540767 /nfs/dbraw/zinc/54/07/67/665540767.db2.gz HZCGKEODCOHBDA-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM Cn1[nH]c(CN2CCC[C@H]2CNC(=O)c2cccnc2)nc1=O ZINC001027710008 665590057 /nfs/dbraw/zinc/59/00/57/665590057.db2.gz JGTWAOHUSOZQTF-LBPRGKRZSA-N -1 0 316.365 -0.102 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](CNC(=O)c3nnc[nH]3)C2)c1[O-] ZINC000979131514 665606327 /nfs/dbraw/zinc/60/63/27/665606327.db2.gz ADVQURUWEBYENK-OCAPTIKFSA-N -1 0 319.325 -0.520 20 0 DBADRM Cc1c(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001027758250 665626520 /nfs/dbraw/zinc/62/65/20/665626520.db2.gz UJRCTXAMXMYWBL-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM COc1ccc(S(=O)(=O)NC/C=C/C(=O)[O-])cc1C(N)=O ZINC000314204364 665641446 /nfs/dbraw/zinc/64/14/46/665641446.db2.gz QAYMZIYTBZIDLP-NSCUHMNNSA-N -1 0 314.319 -0.287 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](CNC(=O)C2CCC2)C1 ZINC000979400597 665648393 /nfs/dbraw/zinc/64/83/93/665648393.db2.gz VUVFNLBGZUNTMA-CZMCAQCFSA-N -1 0 323.353 -0.500 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000979559747 665669250 /nfs/dbraw/zinc/66/92/50/665669250.db2.gz UCQBSVNWQVNQEC-IVZWLZJFSA-N -1 0 309.326 -0.938 20 0 DBADRM Cn1cnc(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)c1 ZINC001027825605 665679145 /nfs/dbraw/zinc/67/91/45/665679145.db2.gz CUWQZGCGRYKNCM-VIFPVBQESA-N -1 0 305.342 -0.362 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2CC(=O)N2CCC2)c1[O-] ZINC001027830338 665681540 /nfs/dbraw/zinc/68/15/40/665681540.db2.gz ZZRSNQINXJLLEV-LLVKDONJSA-N -1 0 321.381 -0.150 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2Cc2cn(C)nn2)c1[O-] ZINC001027832836 665684059 /nfs/dbraw/zinc/68/40/59/665684059.db2.gz KCMWOJKCGPUFPW-NSHDSACASA-N -1 0 319.369 -0.053 20 0 DBADRM CC(C)C(=O)N1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001010034867 665689294 /nfs/dbraw/zinc/68/92/94/665689294.db2.gz ZDNFAAORHAWBAC-RKDXNWHRSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]12 ZINC000979874396 665693978 /nfs/dbraw/zinc/69/39/78/665693978.db2.gz XQNWBLIFQWDVSF-ADEWGFFLSA-N -1 0 320.349 -0.527 20 0 DBADRM CCC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]12 ZINC000979870916 665694082 /nfs/dbraw/zinc/69/40/82/665694082.db2.gz VXXJTLYBNSTHFV-HRDYMLBCSA-N -1 0 321.337 -0.340 20 0 DBADRM Cn1cnc(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001027866798 665711637 /nfs/dbraw/zinc/71/16/37/665711637.db2.gz FLVRXLFUGGGXTQ-MRVPVSSYSA-N -1 0 306.330 -0.967 20 0 DBADRM CCC(=O)N[C@H]1C[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000980107971 665720653 /nfs/dbraw/zinc/72/06/53/665720653.db2.gz NFOGDFCUVKMYFD-KYZUINATSA-N -1 0 308.338 -0.480 20 0 DBADRM CC(C)C(=O)N[C@H]1C[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000980101204 665722073 /nfs/dbraw/zinc/72/20/73/665722073.db2.gz DBKLTOXDYNSOJQ-MGCOHNPYSA-N -1 0 322.365 -0.234 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC000980387251 665756996 /nfs/dbraw/zinc/75/69/96/665756996.db2.gz SFAFEIRADQVWMX-VIFPVBQESA-N -1 0 305.342 -0.410 20 0 DBADRM CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000980745679 665794165 /nfs/dbraw/zinc/79/41/65/665794165.db2.gz LZQDWCYYSMRLJF-VHSXEESVSA-N -1 0 308.338 -0.480 20 0 DBADRM Cc1cc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)n(C)n1 ZINC000980784251 665799066 /nfs/dbraw/zinc/79/90/66/665799066.db2.gz XAGSYEDUZJBBLB-UHFFFAOYSA-N -1 0 319.369 -0.100 20 0 DBADRM O=C(CC1=CCOCC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000950058935 665808482 /nfs/dbraw/zinc/80/84/82/665808482.db2.gz PNYFGEHDIIWULL-UHFFFAOYSA-N -1 0 307.354 -0.109 20 0 DBADRM CNC(=O)[C@H](C)N1CCCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC000980979603 665813881 /nfs/dbraw/zinc/81/38/81/665813881.db2.gz OXYXYJOPIHCPTO-JTQLQIEISA-N -1 0 309.370 -0.294 20 0 DBADRM CNC(=O)[C@@H](C)N1CCCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC000980979604 665813905 /nfs/dbraw/zinc/81/39/05/665813905.db2.gz OXYXYJOPIHCPTO-SNVBAGLBSA-N -1 0 309.370 -0.294 20 0 DBADRM Cn1cnc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)c1 ZINC000980971232 665814617 /nfs/dbraw/zinc/81/46/17/665814617.db2.gz INRMEXYQHVIDAK-UHFFFAOYSA-N -1 0 305.342 -0.408 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN([C@@H]3CCCNC3=O)CC2)c1[O-] ZINC000980982016 665815069 /nfs/dbraw/zinc/81/50/69/665815069.db2.gz SGRQRBBCPJDVBS-LLVKDONJSA-N -1 0 321.381 -0.150 20 0 DBADRM Cc1n[nH]cc1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001028061962 665831775 /nfs/dbraw/zinc/83/17/75/665831775.db2.gz JHBZXYTUBPKRGY-VIFPVBQESA-N -1 0 305.342 -0.064 20 0 DBADRM CO[C@@H](C)C(=O)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC000981652251 665862962 /nfs/dbraw/zinc/86/29/62/665862962.db2.gz WUZQBXZDEUYINM-JTQLQIEISA-N -1 0 309.370 -0.030 20 0 DBADRM C[C@@H]1CO[C@H](C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC000981646539 665864808 /nfs/dbraw/zinc/86/48/08/665864808.db2.gz MKQIAYOWJRWVDS-QWRGUYRKSA-N -1 0 309.370 -0.030 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)C1=O ZINC000981790396 665876004 /nfs/dbraw/zinc/87/60/04/665876004.db2.gz UPBYGBLSYQPTRM-SNVBAGLBSA-N -1 0 322.369 -0.977 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1n[nH]cc1F ZINC001028122800 665876160 /nfs/dbraw/zinc/87/61/60/665876160.db2.gz ZGELRGXSWOUEHK-ZETCQYMHSA-N -1 0 309.305 -0.233 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(CCOC2CCC2)CC1 ZINC000949111365 665890295 /nfs/dbraw/zinc/89/02/95/665890295.db2.gz QSXNQEBTCQQSFM-UHFFFAOYSA-N -1 0 323.353 -0.390 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(Cc2cnns2)CC1 ZINC000949111213 665890682 /nfs/dbraw/zinc/89/06/82/665890682.db2.gz ITEJMSSZYFQBQT-UHFFFAOYSA-N -1 0 323.338 -0.908 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1cccnn1 ZINC001028216637 665914016 /nfs/dbraw/zinc/91/40/16/665914016.db2.gz JANNSYNDKDSPHY-VIFPVBQESA-N -1 0 303.326 -0.305 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2[C@@H]2CCN(C)C2=O)c1[O-] ZINC001038162307 665933710 /nfs/dbraw/zinc/93/37/10/665933710.db2.gz UQFJFWVNQQLKJS-VHSXEESVSA-N -1 0 307.354 -0.541 20 0 DBADRM O=C([N-]NC(=O)C(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000054130210 665956641 /nfs/dbraw/zinc/95/66/41/665956641.db2.gz WYPNGBCTUTZVGS-UHFFFAOYSA-N -1 0 310.241 -0.227 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2Cc2ncnn2C)c1[O-] ZINC001038163915 665959685 /nfs/dbraw/zinc/95/96/85/665959685.db2.gz CSXAJHFKKHRVRB-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2Cc2cnn(C)n2)c1[O-] ZINC001038165761 663791217 /nfs/dbraw/zinc/79/12/17/663791217.db2.gz TYNAHLYNQQVAAM-SNVBAGLBSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1cc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC000969360932 663820457 /nfs/dbraw/zinc/82/04/57/663820457.db2.gz DLKXRFSOGNRNOZ-VIFPVBQESA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)cs1 ZINC001020507152 663826978 /nfs/dbraw/zinc/82/69/78/663826978.db2.gz LGZCQVUZGRLJJW-KYZUINATSA-N -1 0 322.394 -0.076 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(CC(=O)NC3CC3)C2)c1[O-] ZINC000969506562 663838932 /nfs/dbraw/zinc/83/89/32/663838932.db2.gz RMPZEMUUAPXSQH-MRVPVSSYSA-N -1 0 321.381 -0.248 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(Cc3cn(C)nn3)C2)c1[O-] ZINC000969505588 663838972 /nfs/dbraw/zinc/83/89/72/663838972.db2.gz COGSLZPDWMFXSN-MRVPVSSYSA-N -1 0 319.369 -0.197 20 0 DBADRM CCn1nccc1C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969551611 663844522 /nfs/dbraw/zinc/84/45/22/663844522.db2.gz NZUBAKZRQDPDSD-VIFPVBQESA-N -1 0 319.369 -0.023 20 0 DBADRM Cc1cc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cnn1 ZINC000969569515 663845656 /nfs/dbraw/zinc/84/56/56/663845656.db2.gz QDOZHGQNLHZBBT-VIFPVBQESA-N -1 0 317.353 -0.141 20 0 DBADRM Cc1ccc(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC000969655549 663854702 /nfs/dbraw/zinc/85/47/02/663854702.db2.gz XRLSBTZLWYQEPF-SECBINFHSA-N -1 0 317.353 -0.141 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC000969669983 663855863 /nfs/dbraw/zinc/85/58/63/663855863.db2.gz HSMZFPHXZGPTJJ-MRVPVSSYSA-N -1 0 319.325 -0.681 20 0 DBADRM C[C@H](NC(=O)[C@]12C[C@H]1COC2)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000969714797 663859111 /nfs/dbraw/zinc/85/91/11/663859111.db2.gz ULCPVKRFSPVCPU-ZSGNIPIJSA-N -1 0 321.381 -0.919 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCCC(=O)N1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969916746 663881617 /nfs/dbraw/zinc/88/16/17/663881617.db2.gz QNRNKOHBCNLIAV-PSASIEDQSA-N -1 0 322.369 -0.885 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(Cc2ccon2)C1 ZINC000970057272 663897086 /nfs/dbraw/zinc/89/70/86/663897086.db2.gz ATLYROBUFBJRIR-SSDOTTSWSA-N -1 0 320.309 -0.479 20 0 DBADRM C[C@H](NC(=O)c1cncn1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970075881 663899236 /nfs/dbraw/zinc/89/92/36/663899236.db2.gz IQDLUSAWMUTSHT-QMMMGPOBSA-N -1 0 305.342 -0.506 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]2C)c1[O-] ZINC001020799041 663906728 /nfs/dbraw/zinc/90/67/28/663906728.db2.gz MYYBTRRNGMYXHV-CBAPKCEASA-N -1 0 323.353 -0.877 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000804773134 663930189 /nfs/dbraw/zinc/93/01/89/663930189.db2.gz FKFNDANTGGZCSQ-NEPJUHHUSA-N -1 0 317.386 -0.704 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCCN1CCCCC1=O ZINC000804777072 663930192 /nfs/dbraw/zinc/93/01/92/663930192.db2.gz OQOSDJKZWIYSMG-UHFFFAOYSA-N -1 0 317.411 -0.084 20 0 DBADRM COc1nc(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC000970220143 663948615 /nfs/dbraw/zinc/94/86/15/663948615.db2.gz JTCHIVKMPGTDAO-SSDOTTSWSA-N -1 0 322.325 -0.243 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970244596 663951785 /nfs/dbraw/zinc/95/17/85/663951785.db2.gz LGKITYYHLSQCDH-SSDOTTSWSA-N -1 0 305.342 -0.208 20 0 DBADRM Cc1ncc(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC000970331889 663970245 /nfs/dbraw/zinc/97/02/45/663970245.db2.gz OYXMSEXNUZWSNV-MRVPVSSYSA-N -1 0 319.369 -0.197 20 0 DBADRM CC[C@@H](C)C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954877268 664006116 /nfs/dbraw/zinc/00/61/16/664006116.db2.gz QNVRHJCIABSDMB-SSDOTTSWSA-N -1 0 309.326 -0.388 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)CC3CC3)[C@@H](O)C2)c1[O-] ZINC000991207767 674581983 /nfs/dbraw/zinc/58/19/83/674581983.db2.gz YFZTXNNTZDAAFA-MNOVXSKESA-N -1 0 322.365 -0.085 20 0 DBADRM CCn1nccc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038193691 664033972 /nfs/dbraw/zinc/03/39/72/664033972.db2.gz VIZLMISNFXSPBZ-SECBINFHSA-N -1 0 305.342 -0.269 20 0 DBADRM CCC(=O)N1CCCC2(CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC001010749666 664039357 /nfs/dbraw/zinc/03/93/57/664039357.db2.gz JDUVYPKGPOZYPF-UHFFFAOYSA-N -1 0 321.337 -0.243 20 0 DBADRM CCn1cnc(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC000970750931 664045469 /nfs/dbraw/zinc/04/54/69/664045469.db2.gz BMGBLASNRYCCOA-SECBINFHSA-N -1 0 319.369 -0.023 20 0 DBADRM C[C@H](NC(=O)c1ccc(=O)[nH]c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970839444 664060883 /nfs/dbraw/zinc/06/08/83/664060883.db2.gz QGHNMMMCMVJPGR-QMMMGPOBSA-N -1 0 318.337 -0.139 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2COCCO2)c1[O-] ZINC000949426773 664079327 /nfs/dbraw/zinc/07/93/27/664079327.db2.gz RKNRLRFKWOFKOX-VHSXEESVSA-N -1 0 324.337 -0.830 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)Cn2ccnc2)c1[O-] ZINC000949434120 664085394 /nfs/dbraw/zinc/08/53/94/664085394.db2.gz GSTBYZPTETUCQQ-JTQLQIEISA-N -1 0 318.337 -0.349 20 0 DBADRM CCC(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000970972536 664086298 /nfs/dbraw/zinc/08/62/98/664086298.db2.gz ZGPFMJIYFHPNLG-RKDXNWHRSA-N -1 0 309.326 -0.841 20 0 DBADRM Cc1nonc1C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970977156 664087739 /nfs/dbraw/zinc/08/77/39/664087739.db2.gz ZMAWRQPTHHESII-LURJTMIESA-N -1 0 307.314 -0.548 20 0 DBADRM CC[C@H](CNC(=O)CSCC(=O)N1CCOCC1)C(=O)[O-] ZINC000087481747 664090992 /nfs/dbraw/zinc/09/09/92/664090992.db2.gz OZAQPACXMUQHQE-SNVBAGLBSA-N -1 0 318.395 -0.195 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2cnnn2C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947271466 664093036 /nfs/dbraw/zinc/09/30/36/664093036.db2.gz IZKZKOUUOJHWJJ-BDAKNGLRSA-N -1 0 320.357 -0.578 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC000971017390 664094362 /nfs/dbraw/zinc/09/43/62/664094362.db2.gz FEJYSLSXINZASK-SECBINFHSA-N -1 0 309.326 -0.569 20 0 DBADRM CC(=O)N1C[C@]2(C)CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@]2(C)C1 ZINC001010903862 664108886 /nfs/dbraw/zinc/10/88/86/664108886.db2.gz KCLQMUHNTQVZSU-OKILXGFUSA-N -1 0 321.337 -0.387 20 0 DBADRM CCn1[n-]nnc1=NC(=O)c1nn(C)cc1Br ZINC000891339527 664112902 /nfs/dbraw/zinc/11/29/02/664112902.db2.gz FJXSFVWNPLBMSJ-UHFFFAOYSA-N -1 0 300.120 -0.137 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2cnsn2)C1 ZINC000971139361 664114482 /nfs/dbraw/zinc/11/44/82/664114482.db2.gz YPDJNFWPRSBLBZ-ZETCQYMHSA-N -1 0 309.355 -0.292 20 0 DBADRM CN(Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)c2cncs2)C1 ZINC000971151583 664117389 /nfs/dbraw/zinc/11/73/89/664117389.db2.gz SZJVDBIGXRAHJJ-SECBINFHSA-N -1 0 322.394 -0.089 20 0 DBADRM C/C=C(\C)C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001010944070 664124241 /nfs/dbraw/zinc/12/42/41/664124241.db2.gz PYPFNYNWZPHRLX-FPYGCLRLSA-N -1 0 307.310 -0.467 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC(C)(C(=O)[O-])C2)C1 ZINC000910055650 674591638 /nfs/dbraw/zinc/59/16/38/674591638.db2.gz OBJRKYFHWAAAHK-SNVBAGLBSA-N -1 0 318.395 -0.019 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC000971342220 664144577 /nfs/dbraw/zinc/14/45/77/664144577.db2.gz BUMSXRDAJXIYHM-SECBINFHSA-N -1 0 305.342 -0.410 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)Cc3nncn3C)C2)c1[O-] ZINC000971361808 664147266 /nfs/dbraw/zinc/14/72/66/664147266.db2.gz RXFCZCZIKAVFCK-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC([C@@H](F)C(=O)[O-])C1 ZINC000910133927 674593739 /nfs/dbraw/zinc/59/37/39/674593739.db2.gz HCXJCEUVFIJHJY-DTWKUNHWSA-N -1 0 308.331 -0.709 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(C(=O)C2(S(C)(=O)=O)CC2)CC1 ZINC000910177532 674596153 /nfs/dbraw/zinc/59/61/53/674596153.db2.gz MTWNRXDFZIRFDG-UHFFFAOYSA-N -1 0 318.395 -0.429 20 0 DBADRM COc1ccc(F)cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000650387120 664175444 /nfs/dbraw/zinc/17/54/44/664175444.db2.gz ZAJQZEOZXKSTHC-LDWIPMOCSA-N -1 0 307.299 -0.053 20 0 DBADRM O=C([O-])C12CC(C(=O)N3CCN(c4nccnn4)CC3)(C1)C2 ZINC000910189547 674596674 /nfs/dbraw/zinc/59/66/74/674596674.db2.gz ATYZYVMPQZXFKF-UHFFFAOYSA-N -1 0 303.322 -0.225 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCCO3)C2)nc1=O ZINC001021968448 664180695 /nfs/dbraw/zinc/18/06/95/664180695.db2.gz QYKGOXNIRLHALR-OUAUKWLOSA-N -1 0 309.370 -0.586 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC000910295384 674602380 /nfs/dbraw/zinc/60/23/80/674602380.db2.gz MYRJWGXPHZLESH-UHFFFAOYSA-N -1 0 319.383 -0.667 20 0 DBADRM CC1(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)CC1 ZINC000573254923 664199752 /nfs/dbraw/zinc/19/97/52/664199752.db2.gz CYFZPIDRKADNAB-UWVGGRQHSA-N -1 0 316.379 -0.124 20 0 DBADRM C[C@@H](C(=O)NCC(=O)NCC(=O)[O-])N1CCc2ccccc21 ZINC000910333559 674602334 /nfs/dbraw/zinc/60/23/34/674602334.db2.gz BSWSGFUWPNNRIV-JTQLQIEISA-N -1 0 305.334 -0.245 20 0 DBADRM CN1CC[C@H](C(=O)NCC(=O)NCC(=O)[O-])c2ccccc21 ZINC000910334957 674602539 /nfs/dbraw/zinc/60/25/39/674602539.db2.gz WGEVGMVDMJBYPG-NSHDSACASA-N -1 0 305.334 -0.073 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C2CC2)cc1C(N)=O ZINC000176079070 664267997 /nfs/dbraw/zinc/26/79/97/664267997.db2.gz FNLQTHWMPBHJRV-VHSXEESVSA-N -1 0 311.363 -0.025 20 0 DBADRM O=C(N[C@H]1C[C@@H](NCc2nncs2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001022370168 664268621 /nfs/dbraw/zinc/26/86/21/664268621.db2.gz XWPBYKJNLVUVJD-OLQVQODUSA-N -1 0 323.338 -0.815 20 0 DBADRM COC[C@@H]1COCCN1C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000926277622 664275736 /nfs/dbraw/zinc/27/57/36/664275736.db2.gz XEHIWPLAEWBBCR-LLVKDONJSA-N -1 0 314.338 -0.817 20 0 DBADRM CNS(=O)(=O)c1ccc(N2CC[C@](F)(C(=O)[O-])C2)nc1 ZINC000910448350 674606634 /nfs/dbraw/zinc/60/66/34/674606634.db2.gz XDBLETBQMVIUIA-LLVKDONJSA-N -1 0 303.315 -0.007 20 0 DBADRM Cc1nnccc1C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000971866257 664281329 /nfs/dbraw/zinc/28/13/29/664281329.db2.gz BOJPIEQHEZJZHQ-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)Cn1nc2ccccn2c1=O ZINC000910445118 674607424 /nfs/dbraw/zinc/60/74/24/674607424.db2.gz VWXHHJPCHLXVGX-IUCAKERBSA-N -1 0 308.269 -0.480 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC000972003444 664311571 /nfs/dbraw/zinc/31/15/71/664311571.db2.gz WWIMDWOEXILAPG-XPTSAGLGSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)c2csnn2)C1 ZINC000972026857 664315562 /nfs/dbraw/zinc/31/55/62/664315562.db2.gz NQPQETPGAMTJLP-QMMMGPOBSA-N -1 0 323.382 -0.694 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)NC1CCSCC1 ZINC000910490403 674612062 /nfs/dbraw/zinc/61/20/62/674612062.db2.gz SSDKITFZKQUEPA-UHFFFAOYSA-N -1 0 318.395 -0.052 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CSC1(C)C ZINC000910489057 674612430 /nfs/dbraw/zinc/61/24/30/674612430.db2.gz AVTNUASWXXBTJH-VIFPVBQESA-N -1 0 318.395 -0.054 20 0 DBADRM CCN(C(=O)c1cc[n+]([O-])cc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949622279 664336600 /nfs/dbraw/zinc/33/66/00/664336600.db2.gz MUXGKOSVDYHVTO-UHFFFAOYSA-N -1 0 318.337 -0.510 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000972135987 664337870 /nfs/dbraw/zinc/33/78/70/664337870.db2.gz ATMPPMIVNCKPLH-SVDPJWKOSA-N -1 0 307.354 -0.565 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NC[C@]23C[C@H]2COC32CCC2)C1 ZINC000910494445 674613623 /nfs/dbraw/zinc/61/36/23/674613623.db2.gz GCBQOPIPBPPFCL-JRPNMDOOSA-N -1 0 322.361 -0.005 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1C[C@@H]3CCC[C@H]13)C2 ZINC000910496740 674614259 /nfs/dbraw/zinc/61/42/59/674614259.db2.gz NYPNXNKQIVTHOU-OOPIDFETSA-N -1 0 322.361 -0.149 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000972244492 664357345 /nfs/dbraw/zinc/35/73/45/664357345.db2.gz DXFJURBNENHAPZ-MRVPVSSYSA-N -1 0 321.341 -0.704 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC000972270641 664359383 /nfs/dbraw/zinc/35/93/83/664359383.db2.gz CSPMDHPUIGVRKS-ZETCQYMHSA-N -1 0 309.305 -0.281 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@H](C(C)C)N1CCCS1(=O)=O ZINC000262128473 664362488 /nfs/dbraw/zinc/36/24/88/664362488.db2.gz KNBKFIZKMDXRIH-NSHDSACASA-N -1 0 306.384 -0.020 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000910530140 674615122 /nfs/dbraw/zinc/61/51/22/674615122.db2.gz KRIYQRXIBKDIAR-QPUJVOFHSA-N -1 0 302.352 -0.654 20 0 DBADRM CCCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000910532605 674615479 /nfs/dbraw/zinc/61/54/79/674615479.db2.gz ZABSXAXPNISSMK-RNCFNFMXSA-N -1 0 316.379 -0.264 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000262164719 664375957 /nfs/dbraw/zinc/37/59/57/664375957.db2.gz NGHLFYMQQMSJNA-LLVKDONJSA-N -1 0 322.408 -0.512 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@H](N(C)Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC000972383791 664379973 /nfs/dbraw/zinc/37/99/73/664379973.db2.gz YNUSSOKHFNDUTE-GRYCIOLGSA-N -1 0 323.397 -0.291 20 0 DBADRM CCN(C(=O)c1cnn(C)c1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949681880 664393163 /nfs/dbraw/zinc/39/31/63/664393163.db2.gz OMJPMPMNDWBBEG-UHFFFAOYSA-N -1 0 319.369 -0.101 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2coc(C(N)=O)c2)CC1 ZINC000811157171 664404852 /nfs/dbraw/zinc/40/48/52/664404852.db2.gz MYXIKXOYHDMBAN-UHFFFAOYSA-N -1 0 302.308 -0.383 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)[O-] ZINC000158416403 664406801 /nfs/dbraw/zinc/40/68/01/664406801.db2.gz LNIANUPOWRZXPP-UBJUHAIHSA-N -1 0 302.352 -0.344 20 0 DBADRM CC[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@@]1(F)C(=O)[O-] ZINC000910547339 674617929 /nfs/dbraw/zinc/61/79/29/674617929.db2.gz XCSPFUZVIAXLHO-LNLATYFQSA-N -1 0 322.358 -0.318 20 0 DBADRM CCC[C@](C)(NC(=O)CNS(=O)(=O)CCCOC)C(=O)[O-] ZINC000262227210 664411985 /nfs/dbraw/zinc/41/19/85/664411985.db2.gz WDIJQBCLTRSCRS-LBPRGKRZSA-N -1 0 324.399 -0.298 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262235342 664415682 /nfs/dbraw/zinc/41/56/82/664415682.db2.gz VTXDOPNZBBBABJ-IJLUTSLNSA-N -1 0 310.350 -0.053 20 0 DBADRM CC1(C(=O)N2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)CC1 ZINC001011241786 664427070 /nfs/dbraw/zinc/42/70/70/664427070.db2.gz CRGUVNMYYLWBHD-UHFFFAOYSA-N -1 0 309.326 -0.840 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000262320669 664447851 /nfs/dbraw/zinc/44/78/51/664447851.db2.gz QZPPDSRNLYSEBZ-LBPRGKRZSA-N -1 0 321.333 -0.429 20 0 DBADRM Cn1cc(C(=O)NC[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001023223038 664473565 /nfs/dbraw/zinc/47/35/65/664473565.db2.gz IJZLQOBQRXJEGY-SNVBAGLBSA-N -1 0 319.369 -0.114 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000910845351 674648058 /nfs/dbraw/zinc/64/80/58/674648058.db2.gz DVPAUOLHVGADFQ-VLEAKVRGSA-N -1 0 316.379 -0.411 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H](C)C3CC3)C2)c1[O-] ZINC001023322577 664816555 /nfs/dbraw/zinc/81/65/55/664816555.db2.gz FMXKATOZLYNHSF-AVPPRXQKSA-N -1 0 322.365 -0.229 20 0 DBADRM CCN(C(=O)c1ncoc1C)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000949748505 664822469 /nfs/dbraw/zinc/82/24/69/664822469.db2.gz ZTZRCPYDQLBPHG-UHFFFAOYSA-N -1 0 320.353 -0.249 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@H]2O)c1[O-] ZINC001023411867 664824109 /nfs/dbraw/zinc/82/41/09/664824109.db2.gz JFPCEIZEWGXZCF-RKDXNWHRSA-N -1 0 321.293 -0.973 20 0 DBADRM C/C=C(/C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001023413252 664824580 /nfs/dbraw/zinc/82/45/80/664824580.db2.gz FWXHIYKBFRVFSE-UFUMDNBCSA-N -1 0 308.338 -0.309 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC3(C)C)C[C@H]2O)c1[O-] ZINC001023412961 664824727 /nfs/dbraw/zinc/82/47/27/664824727.db2.gz AUDJZXBTAJESLS-IVZWLZJFSA-N -1 0 322.365 -0.229 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC3(C)C)C2)c1[O-] ZINC001023421692 664825366 /nfs/dbraw/zinc/82/53/66/664825366.db2.gz ALHWYZYWFWWGFR-OPRDCNLKSA-N -1 0 322.365 -0.229 20 0 DBADRM O=C(NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cn[nH]n1 ZINC001023457028 664828234 /nfs/dbraw/zinc/82/82/34/664828234.db2.gz FTTKZCGDMFPRKJ-MRVPVSSYSA-N -1 0 306.330 -0.730 20 0 DBADRM CC(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000947233197 664829783 /nfs/dbraw/zinc/82/97/83/664829783.db2.gz FABRESOCJYMZLL-RKDXNWHRSA-N -1 0 323.353 -0.094 20 0 DBADRM NC(=O)c1ccc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)nc1 ZINC000262452089 664854441 /nfs/dbraw/zinc/85/44/41/664854441.db2.gz UVPHRYBARMOMDE-ZUZCIYMTSA-N -1 0 319.317 -0.256 20 0 DBADRM COC1CCN(S(=O)(=O)N2CC[C@@](OC)(C(=O)[O-])C2)CC1 ZINC000926583218 664854920 /nfs/dbraw/zinc/85/49/20/664854920.db2.gz FJQSYQISZRRQJK-LBPRGKRZSA-N -1 0 322.383 -0.483 20 0 DBADRM CCN(CC(=O)[O-])C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000263280801 664856634 /nfs/dbraw/zinc/85/66/34/664856634.db2.gz RYRXMZROYGVTJL-UHFFFAOYSA-N -1 0 315.351 -0.365 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cnccn1 ZINC000972766718 664869412 /nfs/dbraw/zinc/86/94/12/664869412.db2.gz YQPFJVRQJGVMIC-JTQLQIEISA-N -1 0 317.353 -0.059 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnccn1 ZINC000972766719 664869484 /nfs/dbraw/zinc/86/94/84/664869484.db2.gz YQPFJVRQJGVMIC-SNVBAGLBSA-N -1 0 317.353 -0.059 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cn[nH]c1 ZINC000972835978 664877400 /nfs/dbraw/zinc/87/74/00/664877400.db2.gz WGUUFNRELCGNDP-VIFPVBQESA-N -1 0 305.342 -0.126 20 0 DBADRM CN1CC[N@H+](C)C[C@@H]1CN=c1nn[n-]n1Cc1ccccc1 ZINC000892467804 664887208 /nfs/dbraw/zinc/88/72/08/664887208.db2.gz MNUJRHRPFWRPJZ-AWEZNQCLSA-N -1 0 301.398 -0.199 20 0 DBADRM CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC001024474127 664890774 /nfs/dbraw/zinc/89/07/74/664890774.db2.gz GGMLYMWDLWSAIB-CHWSQXEVSA-N -1 0 324.381 -0.917 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000972920929 664893430 /nfs/dbraw/zinc/89/34/30/664893430.db2.gz AAPUVJCUPLYSOZ-XUTVFYLZSA-N -1 0 307.310 -0.684 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000972924511 664894285 /nfs/dbraw/zinc/89/42/85/664894285.db2.gz QEAYKWPJGLPNPQ-BGZDPUMWSA-N -1 0 309.326 -0.891 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000972928962 664894723 /nfs/dbraw/zinc/89/47/23/664894723.db2.gz ITAFGLYZYGSZHQ-KYXWUPHJSA-N -1 0 320.349 -0.481 20 0 DBADRM Cc1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)c1 ZINC001024543910 664896466 /nfs/dbraw/zinc/89/64/66/664896466.db2.gz SPPIWWVRMOMQHQ-CHWSQXEVSA-N -1 0 315.333 -0.272 20 0 DBADRM Cn1[nH]c(CN2CCCC[C@H]2CNC(=O)c2cnco2)nc1=O ZINC001024582669 664900231 /nfs/dbraw/zinc/90/02/31/664900231.db2.gz BLJMXECIOOSUHA-JTQLQIEISA-N -1 0 320.353 -0.119 20 0 DBADRM O=C(NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1CCNC1=O ZINC001024595237 664902629 /nfs/dbraw/zinc/90/26/29/664902629.db2.gz GZFNGMONSSDQPT-VHSXEESVSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C([C@H]1CCC(=O)N1)N1CCCC[C@@H]1C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001024900979 664927489 /nfs/dbraw/zinc/92/74/89/664927489.db2.gz MLALXHQOFUPBIA-NXEZZACHSA-N -1 0 322.369 -0.740 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](NC(=O)c2ccc[nH]2)C1 ZINC000972963426 664928691 /nfs/dbraw/zinc/92/86/91/664928691.db2.gz ZJIGFOABIZTZRA-ZKCHVHJHSA-N -1 0 320.309 -0.905 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3(C)CCC3)C2)c1[O-] ZINC001025023175 664939940 /nfs/dbraw/zinc/93/99/40/664939940.db2.gz QIQRCIKRZRZVKC-NXEZZACHSA-N -1 0 322.365 -0.085 20 0 DBADRM Cc1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc(=O)[nH]1 ZINC000782604816 664945299 /nfs/dbraw/zinc/94/52/99/664945299.db2.gz LRVHMZCZTGLWAB-UHFFFAOYSA-N -1 0 301.324 -0.598 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccnc(Cl)c1)[C@H]1COCCO1 ZINC000782639533 664958372 /nfs/dbraw/zinc/95/83/72/664958372.db2.gz HRKNMYXVDIKBMT-MRVPVSSYSA-N -1 0 306.727 -0.045 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C(F)F)C1 ZINC001006494080 664963139 /nfs/dbraw/zinc/96/31/39/664963139.db2.gz NYFZTYUTKLTSJJ-SCSAIBSYSA-N -1 0 317.252 -0.875 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)Cc3ncc[nH]3)C2)c1[O-] ZINC000973179729 665001488 /nfs/dbraw/zinc/00/14/88/665001488.db2.gz IRSPQERKHXCKMN-KYZUINATSA-N -1 0 318.337 -0.233 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3cncnc3)C2)c1[O-] ZINC000973182317 665001602 /nfs/dbraw/zinc/00/16/02/665001602.db2.gz YEOXRHAZKSTXCX-MGCOHNPYSA-N -1 0 316.321 -0.095 20 0 DBADRM NC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001025262969 665011287 /nfs/dbraw/zinc/01/12/87/665011287.db2.gz HSWSPMOCJOPBJT-NXEZZACHSA-N -1 0 322.369 -0.659 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973491005 665041484 /nfs/dbraw/zinc/04/14/84/665041484.db2.gz FIEIWWKOUGEHOX-XKNYDFJKSA-N -1 0 323.353 -0.501 20 0 DBADRM CC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC001007644189 665051249 /nfs/dbraw/zinc/05/12/49/665051249.db2.gz MNXPXFOYMBRPNF-CQSZACIVSA-N -1 0 308.338 -0.113 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(CCn2cncn2)C1 ZINC000949899716 665056713 /nfs/dbraw/zinc/05/67/13/665056713.db2.gz BUZBMDMTYWIDFB-UHFFFAOYSA-N -1 0 319.369 -0.138 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC000936263001 665057030 /nfs/dbraw/zinc/05/70/30/665057030.db2.gz JNVSRZKFICSEFX-BDAKNGLRSA-N -1 0 321.337 -0.794 20 0 DBADRM CC(C)Cn1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)n1 ZINC000892744428 665061818 /nfs/dbraw/zinc/06/18/18/665061818.db2.gz ITMNDWRKXPXYOR-UHFFFAOYSA-N -1 0 316.383 -0.154 20 0 DBADRM COCc1nc(N(C)C[C@H](O)CN2CCOCC2)cc(=O)[nH]1 ZINC000892857273 665070688 /nfs/dbraw/zinc/07/06/88/665070688.db2.gz VGAFLNRZOQPEKC-NSHDSACASA-N -1 0 312.370 -0.542 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)c1[O-] ZINC000936331105 665072460 /nfs/dbraw/zinc/07/24/60/665072460.db2.gz GESOBJDANVSYTI-SECBINFHSA-N -1 0 318.337 -0.280 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000892914098 665073003 /nfs/dbraw/zinc/07/30/03/665073003.db2.gz PASNCYXINNGOPY-ATZCPNFKSA-N -1 0 305.352 -0.189 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1CCC(O)CC1 ZINC001025761462 665084384 /nfs/dbraw/zinc/08/43/84/665084384.db2.gz JXSGDHLOJXNVBW-DZZVYXNESA-N -1 0 321.381 -0.392 20 0 DBADRM C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CO1 ZINC001025823787 665091194 /nfs/dbraw/zinc/09/11/94/665091194.db2.gz CWPLVBBUGCIEPW-KUNJHIDRSA-N -1 0 307.354 -0.518 20 0 DBADRM CO[C@H]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001025823551 665091270 /nfs/dbraw/zinc/09/12/70/665091270.db2.gz ZQCDOLLLIWAVII-XPORZQOISA-N -1 0 321.381 -0.128 20 0 DBADRM CO[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1 ZINC001025823634 665091440 /nfs/dbraw/zinc/09/14/40/665091440.db2.gz AQGYAZDUPWKMHY-YFVNTRNASA-N -1 0 321.381 -0.128 20 0 DBADRM CC(=O)N[C@@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C12CCC2 ZINC001025828238 665091619 /nfs/dbraw/zinc/09/16/19/665091619.db2.gz QUMOKEUNHOGZMF-SFYZADRCSA-N -1 0 307.310 -0.540 20 0 DBADRM CCC(=O)N[C@@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C12CCC2 ZINC001025829308 665092414 /nfs/dbraw/zinc/09/24/14/665092414.db2.gz KHRATFDJQCNPRZ-RKDXNWHRSA-N -1 0 323.353 -0.357 20 0 DBADRM CCC(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C12CCC2 ZINC001025829346 665092560 /nfs/dbraw/zinc/09/25/60/665092560.db2.gz KOIWQYJOQNFGBW-JGVFFNPUSA-N -1 0 321.337 -0.150 20 0 DBADRM CC(=O)N[C@@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C12CCC2 ZINC001025842456 665092758 /nfs/dbraw/zinc/09/27/58/665092758.db2.gz SMQKCAPMUOWPDK-BDAKNGLRSA-N -1 0 309.326 -0.747 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@]1(OC)CCSC1 ZINC000893003876 665103390 /nfs/dbraw/zinc/10/33/90/665103390.db2.gz ZENYIRGAZLYZRM-SNVBAGLBSA-N -1 0 311.381 -0.482 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)c1[O-] ZINC001025901356 665110018 /nfs/dbraw/zinc/11/00/18/665110018.db2.gz CLKIVCQJQSIKPT-JGVFFNPUSA-N -1 0 321.337 -0.934 20 0 DBADRM C[C@@H]1CO[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1 ZINC001025908773 665110309 /nfs/dbraw/zinc/11/03/09/665110309.db2.gz XUZYTJJDVAQDIO-GOVZDWNOSA-N -1 0 307.354 -0.518 20 0 DBADRM CC(F)(F)C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973794712 665116009 /nfs/dbraw/zinc/11/60/09/665116009.db2.gz VNQUMSWRDVTUIX-OLQVQODUSA-N -1 0 319.268 -0.892 20 0 DBADRM C[C@@H]1CO[C@@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000893080610 665118139 /nfs/dbraw/zinc/11/81/39/665118139.db2.gz NSFBOZAISDOVJI-DTWKUNHWSA-N -1 0 315.351 -0.105 20 0 DBADRM C[C@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001026123366 665125639 /nfs/dbraw/zinc/12/56/39/665125639.db2.gz HWGUMLNUABDRRI-ULHKAFAUSA-N -1 0 307.354 -0.518 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](NC(=O)c2ccoc2)C1 ZINC000973875179 665136375 /nfs/dbraw/zinc/13/63/75/665136375.db2.gz TYMZZHLYBVATFJ-DTORHVGOSA-N -1 0 321.293 -0.641 20 0 DBADRM CC(C)C(=O)N[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1(C)C ZINC001007902573 665151527 /nfs/dbraw/zinc/15/15/27/665151527.db2.gz YZMVVNMUFPTJRC-QMMMGPOBSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)C2)c1[O-] ZINC000974032383 665158353 /nfs/dbraw/zinc/15/83/53/665158353.db2.gz JGGQRPKDUMTGCC-AMDHYVTDSA-N -1 0 320.349 -0.163 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000775534844 665188012 /nfs/dbraw/zinc/18/80/12/665188012.db2.gz JYYKANSJCZVTEZ-JTQLQIEISA-N -1 0 303.340 -0.659 20 0 DBADRM O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1)c1cn[nH]n1 ZINC000974297384 665188086 /nfs/dbraw/zinc/18/80/86/665188086.db2.gz LSWLXDULKGKREN-XPORZQOISA-N -1 0 319.365 -0.003 20 0 DBADRM NS(=O)(=O)c1cnn(CC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000725898868 665189742 /nfs/dbraw/zinc/18/97/42/665189742.db2.gz VHJFUXKICJKKIN-SNVBAGLBSA-N -1 0 304.328 -0.895 20 0 DBADRM CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000974336214 665193545 /nfs/dbraw/zinc/19/35/45/665193545.db2.gz UFCOZABSHDAWGT-KNVOCYPGSA-N -1 0 309.326 -0.294 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000330363038 665210041 /nfs/dbraw/zinc/21/00/41/665210041.db2.gz UDEWXQDTWDIDKS-LBPRGKRZSA-N -1 0 304.306 -0.147 20 0 DBADRM O=C([O-])C12CC(C(=O)N(CCO)CCN3CCOCC3)(C1)C2 ZINC000911238837 674693829 /nfs/dbraw/zinc/69/38/29/674693829.db2.gz AUXZJRAYCMXTMG-UHFFFAOYSA-N -1 0 312.366 -0.606 20 0 DBADRM Cn1nncc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC000974547511 665230958 /nfs/dbraw/zinc/23/09/58/665230958.db2.gz KKNZDBKCYGYNMF-SECBINFHSA-N -1 0 320.357 -0.721 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CC2(C)C)nn1 ZINC000974570209 665233484 /nfs/dbraw/zinc/23/34/84/665233484.db2.gz QRRAQKVSTBMMFX-VIFPVBQESA-N -1 0 320.357 -0.721 20 0 DBADRM NC(=O)CN1CC[C@@H]1CNC(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001038376702 665262206 /nfs/dbraw/zinc/26/22/06/665262206.db2.gz XCSDFXSNYXCLDZ-SECBINFHSA-N -1 0 305.338 -0.651 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cc1c[nH]cn1 ZINC000975088095 665267577 /nfs/dbraw/zinc/26/75/77/665267577.db2.gz BPQSZIWJRGXHKW-JTQLQIEISA-N -1 0 319.369 -0.197 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ccnnc1 ZINC000975096601 665268648 /nfs/dbraw/zinc/26/86/48/665268648.db2.gz NEGDAJSLVLJNLP-JTQLQIEISA-N -1 0 317.353 -0.059 20 0 DBADRM CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000976112245 665324565 /nfs/dbraw/zinc/32/45/65/665324565.db2.gz GWDXJPIWSZYLHJ-NXEZZACHSA-N -1 0 318.337 -0.405 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccon2)c1[O-] ZINC000976211577 665336256 /nfs/dbraw/zinc/33/62/56/665336256.db2.gz VUONSHINPLTWAS-MBTKJCJQSA-N -1 0 317.305 -0.088 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCOC2)c1[O-] ZINC000976251972 665340792 /nfs/dbraw/zinc/34/07/92/665340792.db2.gz PRLALXDNNMKOCS-UKKRHICBSA-N -1 0 320.349 -0.353 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCOC4)C[C@H]32)c1[O-] ZINC000976366852 665353124 /nfs/dbraw/zinc/35/31/24/665353124.db2.gz WDQHPRXXUZRRDF-ZNSHCXBVSA-N -1 0 320.349 -0.353 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000976888265 665403075 /nfs/dbraw/zinc/40/30/75/665403075.db2.gz FPDKWKSRZNEAOD-KVEIKIFDSA-N -1 0 319.321 -0.875 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCC[C@H](OCCO)C2)O[C@H]1C(=O)[O-] ZINC000911362458 674710156 /nfs/dbraw/zinc/71/01/56/674710156.db2.gz JYDMNSDPAMGVLQ-WRWGMCAJSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@@H]1COC[C@@H]1NC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000911422441 674724580 /nfs/dbraw/zinc/72/45/80/674724580.db2.gz RKWLYLQVTGQTSD-KLHWPWHYSA-N -1 0 310.350 -0.293 20 0 DBADRM C[C@@H]1COC[C@H]1NC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000911422445 674724598 /nfs/dbraw/zinc/72/45/98/674724598.db2.gz RKWLYLQVTGQTSD-SASUGWTJSA-N -1 0 310.350 -0.293 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC000911638706 674742423 /nfs/dbraw/zinc/74/24/23/674742423.db2.gz OYTMWFWNPCOSCB-YWVKMMECSA-N -1 0 316.379 -0.266 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000911742650 674746521 /nfs/dbraw/zinc/74/65/21/674746521.db2.gz LPNFJLBKTHCHKZ-VHSXEESVSA-N -1 0 306.384 -0.020 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])[C@H](C)C1 ZINC000911746221 674746524 /nfs/dbraw/zinc/74/65/24/674746524.db2.gz XPNCODQOPUAAEI-BBBLOLIVSA-N -1 0 304.368 -0.411 20 0 DBADRM CCc1noc([N-]S(=O)(=O)c2n[nH]cc2C(=O)OC)n1 ZINC000912560756 674776243 /nfs/dbraw/zinc/77/62/43/674776243.db2.gz UUCYQABOZQYDRM-UHFFFAOYSA-N -1 0 301.284 -0.058 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C ZINC000912557582 674777454 /nfs/dbraw/zinc/77/74/54/674777454.db2.gz DYHXXQZJQYQKST-MRVPVSSYSA-N -1 0 319.339 -0.026 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000912557920 674777528 /nfs/dbraw/zinc/77/75/28/674777528.db2.gz ITBTUOVJGYHYEC-XPUUQOCRSA-N -1 0 317.323 -0.178 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000912558945 674777545 /nfs/dbraw/zinc/77/75/45/674777545.db2.gz TUARYKUSSUZKTJ-ZETCQYMHSA-N -1 0 303.296 -0.566 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000912559193 674777547 /nfs/dbraw/zinc/77/75/47/674777547.db2.gz UPCHDVKKXQNFCY-QMMMGPOBSA-N -1 0 317.323 -0.272 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C3(C)CC3)C[C@H]2O)c1[O-] ZINC000991389136 674777966 /nfs/dbraw/zinc/77/79/66/674777966.db2.gz LYWRQMQMCVREDV-NXEZZACHSA-N -1 0 322.365 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C3(C)CC3)C[C@@H]2O)c1[O-] ZINC000991389146 674777972 /nfs/dbraw/zinc/77/79/72/674777972.db2.gz LYWRQMQMCVREDV-ZJUUUORDSA-N -1 0 322.365 -0.085 20 0 DBADRM O=C(CNC(=O)NCc1ccco1)N[N-]C(=O)c1ccccn1 ZINC000056056890 674809739 /nfs/dbraw/zinc/80/97/39/674809739.db2.gz XPJNCXTVPYKJIQ-UHFFFAOYSA-N -1 0 317.305 -0.065 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)Cc2ncc[nH]2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947860843 674809971 /nfs/dbraw/zinc/80/99/71/674809971.db2.gz AJIIGNKQYLAOTK-UWVGGRQHSA-N -1 0 319.369 -0.055 20 0 DBADRM CNC(=O)N[N-]C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 ZINC000056377208 674813044 /nfs/dbraw/zinc/81/30/44/674813044.db2.gz LNGQIAQNQWZIMU-UHFFFAOYSA-N -1 0 318.355 -0.070 20 0 DBADRM C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)CCS(C)(=O)=O ZINC000224414989 674827955 /nfs/dbraw/zinc/82/79/55/674827955.db2.gz ONUIHTRHVBZNNW-RNFRBKRXSA-N -1 0 317.410 -0.791 20 0 DBADRM O=C(NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1)c1ccon1 ZINC001030133580 674829038 /nfs/dbraw/zinc/82/90/38/674829038.db2.gz UHPCNTMLZJQCNB-UHFFFAOYSA-N -1 0 314.305 -0.375 20 0 DBADRM O=C(NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1)[C@H]1CCOC1 ZINC001030144722 674831276 /nfs/dbraw/zinc/83/12/76/674831276.db2.gz FGYJMAYMVCCFIO-JTQLQIEISA-N -1 0 317.349 -0.641 20 0 DBADRM C/C(=C/C(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1)C1CC1 ZINC000991604363 674842682 /nfs/dbraw/zinc/84/26/82/674842682.db2.gz SRYXZIMKOMNCLE-NWRHIBPXSA-N -1 0 319.365 -0.147 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2cscn2)C[C@@H]1O)c1cn[nH]n1 ZINC000991604357 674842920 /nfs/dbraw/zinc/84/29/20/674842920.db2.gz SOYSYOBTIVOVRH-XVKPBYJWSA-N -1 0 322.350 -0.733 20 0 DBADRM Cc1coc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)[C@@H](O)C2)c1 ZINC000991606155 674843579 /nfs/dbraw/zinc/84/35/79/674843579.db2.gz XWLKGDXYDWRUSV-KOLCDFICSA-N -1 0 319.321 -0.288 20 0 DBADRM CCCn1nnnc1CN1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001030222010 674846717 /nfs/dbraw/zinc/84/67/17/674846717.db2.gz CAKVLEQPNIBNRX-UHFFFAOYSA-N -1 0 320.357 -0.566 20 0 DBADRM COc1nccc(CN2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001030224954 674847122 /nfs/dbraw/zinc/84/71/22/674847122.db2.gz PUNIWQGRCUKHDY-UHFFFAOYSA-N -1 0 318.337 -0.163 20 0 DBADRM CCc1nnc(CN2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)n1C ZINC001030224733 674847181 /nfs/dbraw/zinc/84/71/81/674847181.db2.gz MXSIECDKPCXDMP-UHFFFAOYSA-N -1 0 319.369 -0.271 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CC(=O)N3CCCC3)C2)c1[O-] ZINC001030223817 674847243 /nfs/dbraw/zinc/84/72/43/674847243.db2.gz GJWVEJYVZNDQOB-UHFFFAOYSA-N -1 0 307.354 -0.540 20 0 DBADRM O=C(NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1)[C@@H]1CC1(F)F ZINC001030284205 674857618 /nfs/dbraw/zinc/85/76/18/674857618.db2.gz JYYNYNLQFFNSEV-JTQLQIEISA-N -1 0 323.303 -0.022 20 0 DBADRM CC[C@H](F)C(=O)N1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000991658046 674859783 /nfs/dbraw/zinc/85/97/83/674859783.db2.gz DOUCRJIWVYFJES-JTQLQIEISA-N -1 0 321.312 -0.289 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cn2c(n1)CCC2 ZINC001030335626 674866265 /nfs/dbraw/zinc/86/62/65/674866265.db2.gz GYYUIVYNHJPONU-UHFFFAOYSA-N -1 0 303.326 -0.733 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc2n(n1)CCCC2 ZINC001030493980 674896638 /nfs/dbraw/zinc/89/66/38/674896638.db2.gz GDHVIBGDBDCNSJ-UHFFFAOYSA-N -1 0 317.353 -0.343 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CC(CNC(=O)C2CC2)C1 ZINC000991834885 674901866 /nfs/dbraw/zinc/90/18/66/674901866.db2.gz AAIGUIKXKAKCNS-UHFFFAOYSA-N -1 0 309.326 -0.890 20 0 DBADRM CCc1nnc(C)cc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030549480 674903207 /nfs/dbraw/zinc/90/32/07/674903207.db2.gz OYEOXVQQWMMGCH-UHFFFAOYSA-N -1 0 317.353 -0.215 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn2c1OCCC2 ZINC001030612341 674912642 /nfs/dbraw/zinc/91/26/42/674912642.db2.gz LDWPXGLVVLFYAA-UHFFFAOYSA-N -1 0 319.325 -0.897 20 0 DBADRM O=C(NC1CN(CC[C@H]2CCOC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030616831 674913178 /nfs/dbraw/zinc/91/31/78/674913178.db2.gz LNROOASGBZAQLX-QMMMGPOBSA-N -1 0 309.326 -0.877 20 0 DBADRM Cc1nocc1CN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030616836 674913185 /nfs/dbraw/zinc/91/31/85/674913185.db2.gz LPZGWBDSBXTKTK-UHFFFAOYSA-N -1 0 306.282 -0.807 20 0 DBADRM Cc1ncoc1CN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030616792 674913197 /nfs/dbraw/zinc/91/31/97/674913197.db2.gz IZHFPMMSTBPVNW-UHFFFAOYSA-N -1 0 306.282 -0.807 20 0 DBADRM O=C(NC1CN(CCC(F)(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030616731 674913210 /nfs/dbraw/zinc/91/32/10/674913210.db2.gz GKRLHUKWTICMIE-UHFFFAOYSA-N -1 0 307.232 -0.351 20 0 DBADRM Cc1nc([C@H](C)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)no1 ZINC001030617024 674913561 /nfs/dbraw/zinc/91/35/61/674913561.db2.gz SVRREHPPWYWPOI-YFKPBYRVSA-N -1 0 321.297 -0.851 20 0 DBADRM Cc1nnc([C@H](C)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001030618822 674913737 /nfs/dbraw/zinc/91/37/37/674913737.db2.gz VUCVSUXHIXNOPT-YFKPBYRVSA-N -1 0 321.297 -0.851 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@@H]2CSCCS2)nn1 ZINC000229640637 674913772 /nfs/dbraw/zinc/91/37/72/674913772.db2.gz DPKGMCLWZJJMJJ-SSDOTTSWSA-N -1 0 302.381 -0.059 20 0 DBADRM CCCc1cc(C(=O)N=c2[n-]c(CS(C)(=O)=O)no2)n[nH]1 ZINC000605397727 674916033 /nfs/dbraw/zinc/91/60/33/674916033.db2.gz SYFRQZIMUAJYRO-UHFFFAOYSA-N -1 0 313.339 -0.036 20 0 DBADRM Cc1cc(=O)oc(C)c1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030645676 674916996 /nfs/dbraw/zinc/91/69/96/674916996.db2.gz UQVSBNIHKMPHGU-UHFFFAOYSA-N -1 0 319.321 -0.305 20 0 DBADRM CC(=O)NC1CC(CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000992111561 674948645 /nfs/dbraw/zinc/94/86/45/674948645.db2.gz KQGHZSGETIXJAH-UHFFFAOYSA-N -1 0 303.322 -0.333 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc2nonc2c1 ZINC001030885120 674989609 /nfs/dbraw/zinc/98/96/09/674989609.db2.gz WYXJPHNGEHGAMW-UHFFFAOYSA-N -1 0 315.293 -0.339 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC000913745428 675002003 /nfs/dbraw/zinc/00/20/03/675002003.db2.gz DIXVZQUJMGJFOR-IZZDOVSWSA-N -1 0 308.367 -0.048 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc(C(F)F)n[nH]1 ZINC001030934279 675000535 /nfs/dbraw/zinc/00/05/35/675000535.db2.gz OYHVBKUMLVIHAH-UHFFFAOYSA-N -1 0 313.268 -0.215 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCCc2nc[nH]c21 ZINC001030936649 675002334 /nfs/dbraw/zinc/00/23/34/675002334.db2.gz TVKLTGZHMIGMIG-SECBINFHSA-N -1 0 317.353 -0.346 20 0 DBADRM COC1(C(=O)[O-])CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000312861522 675010454 /nfs/dbraw/zinc/01/04/54/675010454.db2.gz YMCLYSYOHUFKHU-UHFFFAOYSA-N -1 0 308.356 -0.871 20 0 DBADRM CCCn1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001031031457 675026669 /nfs/dbraw/zinc/02/66/69/675026669.db2.gz UEWIVXMAVOVYAL-UHFFFAOYSA-N -1 0 305.342 -0.269 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN([C@@H]3CCN(C)C3=O)C2)c1[O-] ZINC001007131647 675035697 /nfs/dbraw/zinc/03/56/97/675035697.db2.gz XGWYGPZOWLUOOP-WDEREUQCSA-N -1 0 321.381 -0.151 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc2cccnn21 ZINC001031066429 675036008 /nfs/dbraw/zinc/03/60/08/675036008.db2.gz BLKMIUYLGHOYOU-UHFFFAOYSA-N -1 0 313.321 -0.228 20 0 DBADRM CCOC(=O)CCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730512915 675036012 /nfs/dbraw/zinc/03/60/12/675036012.db2.gz RGPUPKQZHABZAE-UHFFFAOYSA-N -1 0 307.310 -0.469 20 0 DBADRM CCCOC(=O)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730548173 675039619 /nfs/dbraw/zinc/03/96/19/675039619.db2.gz CUECUGQLHGQHJX-UHFFFAOYSA-N -1 0 307.310 -0.469 20 0 DBADRM CC[C@H](C)NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730659200 675045749 /nfs/dbraw/zinc/04/57/49/675045749.db2.gz RUEHWKGUGIAXJC-QMMMGPOBSA-N -1 0 307.310 -0.471 20 0 DBADRM CCN(CC)C(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730656236 675045784 /nfs/dbraw/zinc/04/57/84/675045784.db2.gz GRBSPGILIWXRHV-UHFFFAOYSA-N -1 0 307.310 -0.517 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCCN1CCOC1=O ZINC000730658484 675045804 /nfs/dbraw/zinc/04/58/04/675045804.db2.gz KPADYKXDEROHQY-UHFFFAOYSA-N -1 0 307.266 -0.933 20 0 DBADRM CCCn1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001031159871 675052660 /nfs/dbraw/zinc/05/26/60/675052660.db2.gz RAAFCCOCIFXLOV-UHFFFAOYSA-N -1 0 306.330 -0.874 20 0 DBADRM CC(C)[C@H]1C(=O)NCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000731189900 675059105 /nfs/dbraw/zinc/05/91/05/675059105.db2.gz CHTCXDNJQOLWOU-NSHDSACASA-N -1 0 318.337 -0.946 20 0 DBADRM CN(C(=O)c1cnc[nH]c1=O)[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000936874891 670514787 /nfs/dbraw/zinc/51/47/87/670514787.db2.gz VJWZWSJLNPBOSN-WDEREUQCSA-N -1 0 320.349 -0.108 20 0 DBADRM CC(C)=CC(=O)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982397376 670541287 /nfs/dbraw/zinc/54/12/87/670541287.db2.gz CJABKHVHFLGCEH-VIFPVBQESA-N -1 0 321.337 -0.173 20 0 DBADRM Cn1ccn2c(C[N-]C(=O)C(F)(F)C(F)F)nnc2c1=O ZINC000893778505 670566231 /nfs/dbraw/zinc/56/62/31/670566231.db2.gz ARRPAAADNUUKIH-UHFFFAOYSA-N -1 0 307.207 -0.055 20 0 DBADRM CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982464614 670594433 /nfs/dbraw/zinc/59/44/33/670594433.db2.gz DQCUAIPKAXPDDH-DTWKUNHWSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1nonc1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001028347868 670698795 /nfs/dbraw/zinc/69/87/95/670698795.db2.gz DYWURAQUWKUMMF-QMMMGPOBSA-N -1 0 307.314 -0.404 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001028431262 670748162 /nfs/dbraw/zinc/74/81/62/670748162.db2.gz NNLCNXNVQBNEAP-SNVBAGLBSA-N -1 0 319.369 -0.196 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCCOC1 ZINC001028436482 670757827 /nfs/dbraw/zinc/75/78/27/670757827.db2.gz FPCIDLAHCVUYOS-GHMZBOCLSA-N -1 0 309.370 -0.125 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)C(=O)c3nc[nH]n3)C2)c1[O-] ZINC000937161449 670802472 /nfs/dbraw/zinc/80/24/72/670802472.db2.gz JEXCZSPYDIZMCV-QMMMGPOBSA-N -1 0 319.325 -0.471 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)C(=O)c3cn[nH]n3)C2)c1[O-] ZINC000937165377 670803409 /nfs/dbraw/zinc/80/34/09/670803409.db2.gz GJLXFNLKRDEJIV-QMMMGPOBSA-N -1 0 319.325 -0.471 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)ncn1 ZINC001028488500 670808177 /nfs/dbraw/zinc/80/81/77/670808177.db2.gz MJHREXDNTSUDIV-SNVBAGLBSA-N -1 0 317.353 -0.139 20 0 DBADRM O=C(NC[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1)c1ncccc1[O-] ZINC001028500904 670816828 /nfs/dbraw/zinc/81/68/28/670816828.db2.gz SVDICEDDECINBI-VIFPVBQESA-N -1 0 318.337 -0.137 20 0 DBADRM Cc1ccnc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001028510375 670823830 /nfs/dbraw/zinc/82/38/30/670823830.db2.gz ZMXTUSQRHBHJHI-SNVBAGLBSA-N -1 0 317.353 -0.139 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](CNC(=O)c3cnon3)C2)c1[O-] ZINC000982646981 670839167 /nfs/dbraw/zinc/83/91/67/670839167.db2.gz RVTXVWZQMWLRJI-MRVPVSSYSA-N -1 0 320.309 -0.301 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC000747119965 670867413 /nfs/dbraw/zinc/86/74/13/670867413.db2.gz YBZYPUDWKNYYLK-JOYOIKCWSA-N -1 0 306.384 -0.274 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc2c(c1)OCO2 ZINC000747750717 670881337 /nfs/dbraw/zinc/88/13/37/670881337.db2.gz AAQNNSIBLDXJHC-UHFFFAOYSA-N -1 0 314.319 -0.278 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cn[nH]c(=O)c1 ZINC001028612806 670887270 /nfs/dbraw/zinc/88/72/70/670887270.db2.gz VUOVJZFRMJDSFR-QMMMGPOBSA-N -1 0 319.325 -0.742 20 0 DBADRM COC1CC(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001028617694 670887929 /nfs/dbraw/zinc/88/79/29/670887929.db2.gz PBOCCZHNCIITSC-WHXUTIOJSA-N -1 0 309.370 -0.127 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)c1[O-] ZINC000982963898 670906743 /nfs/dbraw/zinc/90/67/43/670906743.db2.gz NZVUVQRRBYBSMR-QMMMGPOBSA-N -1 0 319.325 -0.566 20 0 DBADRM Cn1cncc1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028666145 670927476 /nfs/dbraw/zinc/92/74/76/670927476.db2.gz BOXZFFRSEGZGKD-VIFPVBQESA-N -1 0 305.342 -0.504 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](CNC(=O)C2CCC2)C1 ZINC000983062325 670936549 /nfs/dbraw/zinc/93/65/49/670936549.db2.gz STVABPVTWQUSMR-SECBINFHSA-N -1 0 323.353 -0.546 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccncn1 ZINC001028879378 671081092 /nfs/dbraw/zinc/08/10/92/671081092.db2.gz IGCFIFOVHVDNKO-SECBINFHSA-N -1 0 303.326 -0.448 20 0 DBADRM CCC(=O)N[C@H]1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983373781 671095112 /nfs/dbraw/zinc/09/51/12/671095112.db2.gz HRVFANIRDFXHLH-YUMQZZPRSA-N -1 0 309.326 -0.150 20 0 DBADRM CCC(=O)N[C@@H]1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000983372451 671096087 /nfs/dbraw/zinc/09/60/87/671096087.db2.gz AORZPACMLMELGW-RKDXNWHRSA-N -1 0 311.342 -0.357 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000048480095 671128148 /nfs/dbraw/zinc/12/81/48/671128148.db2.gz DBKLUJBFAQLFKZ-UHFFFAOYSA-N -1 0 318.332 -0.253 20 0 DBADRM CC(=O)N[C@H]1CCC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000983406267 671128515 /nfs/dbraw/zinc/12/85/15/671128515.db2.gz VWMJJWBJGHMPLW-VHSXEESVSA-N -1 0 308.338 -0.337 20 0 DBADRM CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000983415221 671135732 /nfs/dbraw/zinc/13/57/32/671135732.db2.gz WRSLDWUCRMTGFS-KOLCDFICSA-N -1 0 322.365 -0.137 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cncc(OC)n1 ZINC000791829132 671161661 /nfs/dbraw/zinc/16/16/61/671161661.db2.gz DAIDJCDZELJRLK-UHFFFAOYSA-N -1 0 304.328 -0.962 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCN1CCNC1=O ZINC000894572753 671211053 /nfs/dbraw/zinc/21/10/53/671211053.db2.gz KZZFSRVQMQEIAS-UHFFFAOYSA-N -1 0 310.276 -0.415 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)Cc1ccn(C)n1 ZINC000909429871 671286131 /nfs/dbraw/zinc/28/61/31/671286131.db2.gz FMKKGUJPDSREAF-LLVKDONJSA-N -1 0 322.365 -0.256 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)Cn1ccnc1 ZINC000909434312 671288546 /nfs/dbraw/zinc/28/85/46/671288546.db2.gz SZKBUHNJKBHDJG-LLVKDONJSA-N -1 0 308.338 -0.335 20 0 DBADRM Cc1nccn1CC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000909435324 671289573 /nfs/dbraw/zinc/28/95/73/671289573.db2.gz ZRCNHUVMLOZKDL-LBPRGKRZSA-N -1 0 322.365 -0.027 20 0 DBADRM Cn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2n[nH]c(=O)[n-]2)nn1 ZINC001029296010 671306940 /nfs/dbraw/zinc/30/69/40/671306940.db2.gz IWJFKBXDTLDNLR-DTORHVGOSA-N -1 0 318.341 -0.872 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCCN(C(=O)CC(N)=O)C2)c1[O-] ZINC000983995464 671308708 /nfs/dbraw/zinc/30/87/08/671308708.db2.gz BVZYVYPGQUUCCB-VIFPVBQESA-N -1 0 323.353 -0.638 20 0 DBADRM CCC[C@@H](NC(=O)CNS(=O)(=O)CCOC(C)C)C(=O)[O-] ZINC000262145001 671318280 /nfs/dbraw/zinc/31/82/80/671318280.db2.gz MOENPORFIKNMJE-SNVBAGLBSA-N -1 0 324.399 -0.300 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000732509891 677362175 /nfs/dbraw/zinc/36/21/75/677362175.db2.gz ODRZQDHGIFHJTO-VIFPVBQESA-N -1 0 318.351 -0.120 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccoc1 ZINC000262196471 671341983 /nfs/dbraw/zinc/34/19/83/671341983.db2.gz ZMFKBGXOBPSZHN-QMMMGPOBSA-N -1 0 304.324 -0.121 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC[C@H](C)CC(=O)[O-] ZINC000262206242 671344424 /nfs/dbraw/zinc/34/44/24/671344424.db2.gz KCENRYMFWIAUFQ-SNVBAGLBSA-N -1 0 324.399 -0.442 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000895571216 671359054 /nfs/dbraw/zinc/35/90/54/671359054.db2.gz WBJXCRYZHHRRSZ-NEPJUHHUSA-N -1 0 315.370 -0.109 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)CC)C1=O ZINC000732605647 677366052 /nfs/dbraw/zinc/36/60/52/677366052.db2.gz SWSNYQFJKLDCEQ-UHFFFAOYSA-N -1 0 305.356 -0.437 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000732604352 677366186 /nfs/dbraw/zinc/36/61/86/677366186.db2.gz IATQOWLGWQHFRJ-UHFFFAOYSA-N -1 0 302.327 -0.050 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCOC[C@H]1C[C@H]1CCOC1 ZINC000896701178 671422626 /nfs/dbraw/zinc/42/26/26/671422626.db2.gz ADFFBUOWSPOXNJ-GHMZBOCLSA-N -1 0 301.343 -0.499 20 0 DBADRM CCCCn1c(N)c(N(CCOC)CC(=O)[O-])c(=O)[nH]c1=O ZINC000262320700 671431605 /nfs/dbraw/zinc/43/16/05/671431605.db2.gz RCHDBOMEDMFFEI-UHFFFAOYSA-N -1 0 314.342 -0.131 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)[C@@H](O)C3CCOCC3)C[C@H]1COCC2 ZINC000909561719 671448113 /nfs/dbraw/zinc/44/81/13/671448113.db2.gz BIBUGJPJQSWDCR-SLEUVZQESA-N -1 0 313.350 -0.276 20 0 DBADRM NC(=O)[C@@H]1CC(C(=O)Nc2nnn[n-]2)=NN1c1ccccc1 ZINC000728208764 671448437 /nfs/dbraw/zinc/44/84/37/671448437.db2.gz SDIDEZHNQRPXQL-VIFPVBQESA-N -1 0 300.282 -0.742 20 0 DBADRM CCNC(=O)NC1(C(=O)NC[C@@](C)(O)C(=O)[O-])CCCC1 ZINC000262428216 671452670 /nfs/dbraw/zinc/45/26/70/671452670.db2.gz RZRSIVMLPMZMMC-GFCCVEGCSA-N -1 0 301.343 -0.430 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000262450390 671455860 /nfs/dbraw/zinc/45/58/60/671455860.db2.gz HFZKJBAKXMYDMP-VIFPVBQESA-N -1 0 316.379 -0.264 20 0 DBADRM C[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000262488958 671464836 /nfs/dbraw/zinc/46/48/36/671464836.db2.gz IWZWRVPFAXUUBA-XPTSAGLGSA-N -1 0 319.321 -0.147 20 0 DBADRM CN1CCC[C@H]([N-]S(=O)(=O)N=S2(=O)CCCC2)C1=O ZINC000866913971 671465300 /nfs/dbraw/zinc/46/53/00/671465300.db2.gz BJRAVKUGUFDEJO-VIFPVBQESA-N -1 0 309.413 -0.297 20 0 DBADRM Cc1nonc1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029608848 671471053 /nfs/dbraw/zinc/47/10/53/671471053.db2.gz KYFOVPMPZXCFER-DTORHVGOSA-N -1 0 319.325 -0.309 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000262556770 671502158 /nfs/dbraw/zinc/50/21/58/671502158.db2.gz VCAKJVXXHBSDGJ-GFCCVEGCSA-N -1 0 301.320 -0.345 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1CC[C@H](NC(=O)C2CC2)C1 ZINC000937589363 671493314 /nfs/dbraw/zinc/49/33/14/671493314.db2.gz FNYOFIXGSBYYEY-VIFPVBQESA-N -1 0 321.337 -0.658 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](NC(=O)C2CCC2)C1 ZINC000937590778 671495680 /nfs/dbraw/zinc/49/56/80/671495680.db2.gz UJTDGVHJIUYCTP-VIFPVBQESA-N -1 0 309.326 -0.794 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCC1 ZINC000937591142 671496602 /nfs/dbraw/zinc/49/66/02/671496602.db2.gz NKUCUKWDMIQZTJ-QMMMGPOBSA-N -1 0 307.310 -0.586 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](NC(=O)C2CCCC2)C1 ZINC000937592939 671496764 /nfs/dbraw/zinc/49/67/64/671496764.db2.gz SAXYCDZXQOIUBI-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000320658354 671496984 /nfs/dbraw/zinc/49/69/84/671496984.db2.gz HRWTXFJESIJCJS-ATEUNZGCSA-N -1 0 309.322 -0.312 20 0 DBADRM C[C@](O)(CNC(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000262556772 671501749 /nfs/dbraw/zinc/50/17/49/671501749.db2.gz VCAKJVXXHBSDGJ-LBPRGKRZSA-N -1 0 301.320 -0.345 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925168282 671505968 /nfs/dbraw/zinc/50/59/68/671505968.db2.gz FZOWLWWOHCAKCX-ZJUUUORDSA-N -1 0 302.400 -0.457 20 0 DBADRM CC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@@H]2C1 ZINC000985588929 671511534 /nfs/dbraw/zinc/51/15/34/671511534.db2.gz SXOHXSOAUJMRJT-BDAKNGLRSA-N -1 0 307.310 -0.777 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1ccccn1)c1n[nH]c(=O)[n-]c1=O ZINC001038464233 671513986 /nfs/dbraw/zinc/51/39/86/671513986.db2.gz BTLWHZBPNMCGLM-SNVBAGLBSA-N -1 0 316.321 -0.318 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1ncccn1)c1n[nH]c(=O)[n-]c1=O ZINC001038467060 671526506 /nfs/dbraw/zinc/52/65/06/671526506.db2.gz XADBWGVKXCNYPI-MRVPVSSYSA-N -1 0 317.309 -0.923 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000262758250 671572636 /nfs/dbraw/zinc/57/26/36/671572636.db2.gz KETNACLOFWRYBR-PRHODGIISA-N -1 0 324.374 -0.025 20 0 DBADRM C[C@H]1[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CCN1C(=O)c1ncn(C)n1 ZINC000986250301 671578685 /nfs/dbraw/zinc/57/86/85/671578685.db2.gz IKVAUPNIAYLINF-JGVFFNPUSA-N -1 0 306.330 -0.968 20 0 DBADRM C[C@H]1[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CCN1C(=O)c1ncn(C)n1 ZINC000986250304 671579271 /nfs/dbraw/zinc/57/92/71/671579271.db2.gz IKVAUPNIAYLINF-YUMQZZPRSA-N -1 0 306.330 -0.968 20 0 DBADRM CC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC000986440567 671593920 /nfs/dbraw/zinc/59/39/20/671593920.db2.gz CZYKOVTXOZCHAX-BDAKNGLRSA-N -1 0 307.310 -0.777 20 0 DBADRM CC(=O)N[C@@H](C)C1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000986949599 671627458 /nfs/dbraw/zinc/62/74/58/671627458.db2.gz YHOVAPZZFSYSHQ-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM CCC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001013546441 671629116 /nfs/dbraw/zinc/62/91/16/671629116.db2.gz ARZIOOQESFNQDX-DTWKUNHWSA-N -1 0 308.338 -0.385 20 0 DBADRM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000729067886 671629139 /nfs/dbraw/zinc/62/91/39/671629139.db2.gz SQJNHUDFDLMVCO-NXEZZACHSA-N -1 0 317.367 -0.191 20 0 DBADRM CC[C@@H](CS(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])OC ZINC000263093770 671629833 /nfs/dbraw/zinc/62/98/33/671629833.db2.gz JCOMAMGTJHVSSI-ONGXEEELSA-N -1 0 324.399 -0.348 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000729096492 671634171 /nfs/dbraw/zinc/63/41/71/671634171.db2.gz JWIBENFMFFAVII-ZJUUUORDSA-N -1 0 306.384 -0.084 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263171418 671652669 /nfs/dbraw/zinc/65/26/69/671652669.db2.gz GACXSAGPZSVXEY-HRDYMLBCSA-N -1 0 306.384 -0.070 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CC2CC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987202595 671660916 /nfs/dbraw/zinc/66/09/16/671660916.db2.gz APISQGQLLVVJQX-APPZFPTMSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cc1ncc[nH]1 ZINC000987261636 671665696 /nfs/dbraw/zinc/66/56/96/671665696.db2.gz SIAVBAAALBMQLQ-ZJUUUORDSA-N -1 0 319.369 -0.847 20 0 DBADRM C[C@H]1[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CCN1C(=O)Cc1ncc[nH]1 ZINC000987261139 671665908 /nfs/dbraw/zinc/66/59/08/671665908.db2.gz PNGSTALKZIRSCR-IUCAKERBSA-N -1 0 305.342 -0.445 20 0 DBADRM C[C@H]1[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CCN1C(=O)Cc1ncc[nH]1 ZINC000987261138 671666503 /nfs/dbraw/zinc/66/65/03/671666503.db2.gz PNGSTALKZIRSCR-DTWKUNHWSA-N -1 0 305.342 -0.445 20 0 DBADRM C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000987352520 671679402 /nfs/dbraw/zinc/67/94/02/671679402.db2.gz MNPLKQCFPKIUBP-YUMQZZPRSA-N -1 0 319.321 -0.394 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)C2CC2)C1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987642829 671705018 /nfs/dbraw/zinc/70/50/18/671705018.db2.gz NFNJAWHOMHHILN-QMMMGPOBSA-N -1 0 321.337 -0.387 20 0 DBADRM COCC(=O)N1CC[C@H](CN(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000987665047 671707843 /nfs/dbraw/zinc/70/78/43/671707843.db2.gz XVHKHXQKJFYTGQ-SNVBAGLBSA-N -1 0 310.354 -0.009 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1cc(Cl)cnc1N)C(=O)[O-] ZINC000263501402 671715587 /nfs/dbraw/zinc/71/55/87/671715587.db2.gz TUVZWUODZNZZPW-VIFPVBQESA-N -1 0 309.731 -0.569 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN(C(=O)CC(N)=O)C2)c1[O-] ZINC000987844731 671724195 /nfs/dbraw/zinc/72/41/95/671724195.db2.gz AWFIHFAWRLNALF-SECBINFHSA-N -1 0 323.353 -0.780 20 0 DBADRM C[C@H]1C[C@@H](NCc2nc(=O)n(C)[nH]2)CN1C(=O)C(=O)C(C)(C)C ZINC000988376778 671786109 /nfs/dbraw/zinc/78/61/09/671786109.db2.gz QTKMXYQPPVUPIZ-VHSXEESVSA-N -1 0 323.397 -0.197 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](NC(=O)c2ccoc2)C1 ZINC000937682942 671804117 /nfs/dbraw/zinc/80/41/17/671804117.db2.gz ZXHPKHBRRZEZSW-VIFPVBQESA-N -1 0 321.293 -0.687 20 0 DBADRM COC[C@@H](NC(=O)N1CCOC[C@@H]1C(=O)[O-])C1CCOCC1 ZINC000929046158 671810374 /nfs/dbraw/zinc/81/03/74/671810374.db2.gz VXCKHSRHYUBJCG-VXGBXAGGSA-N -1 0 316.354 -0.077 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cn[nH]c3)C2)c1[O-] ZINC000937706692 671811714 /nfs/dbraw/zinc/81/17/14/671811714.db2.gz MLIGKGOKEDXUPH-VIFPVBQESA-N -1 0 304.310 -0.209 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NCc3ncnn3C)C[C@@H]2C)c1[O-] ZINC000988633231 671813756 /nfs/dbraw/zinc/81/37/56/671813756.db2.gz LLQLHRYZCSRVBJ-WCBMZHEXSA-N -1 0 319.369 -0.055 20 0 DBADRM O=C(CC1CCC1)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000937781350 671833991 /nfs/dbraw/zinc/83/39/91/671833991.db2.gz FQGROLUBERBLQP-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)Cc3cc[nH]n3)C2)c1[O-] ZINC000937772742 671835289 /nfs/dbraw/zinc/83/52/89/671835289.db2.gz WRUJVVUXRUDSHA-JTQLQIEISA-N -1 0 318.337 -0.280 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](NC(=O)C2=CCCC2)C1 ZINC000937818780 671837280 /nfs/dbraw/zinc/83/72/80/671837280.db2.gz LUMODZIEAAHAIB-JTQLQIEISA-N -1 0 321.337 -0.483 20 0 DBADRM CC1CC(C(=O)N[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000937808539 671837432 /nfs/dbraw/zinc/83/74/32/671837432.db2.gz QPKIZRNFGOAGHJ-HACHORDNSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cc[nH]n3)C2)c1[O-] ZINC000937831175 671840181 /nfs/dbraw/zinc/84/01/81/671840181.db2.gz DLYRUSBSZKUHFS-QMMMGPOBSA-N -1 0 304.310 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)Cc3ccon3)C2)c1[O-] ZINC000937832323 671840265 /nfs/dbraw/zinc/84/02/65/671840265.db2.gz QBQZYQHLTAZUBJ-JTQLQIEISA-N -1 0 319.321 -0.015 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C3=COCCO3)C2)c1[O-] ZINC000937832696 671840284 /nfs/dbraw/zinc/84/02/84/671840284.db2.gz SGDMBLODAZLXPQ-VIFPVBQESA-N -1 0 322.321 -0.357 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)c1[O-] ZINC000937836478 671840590 /nfs/dbraw/zinc/84/05/90/671840590.db2.gz PVQLAYAYYFSCQJ-QMMMGPOBSA-N -1 0 323.353 -0.734 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989198245 671997290 /nfs/dbraw/zinc/99/72/90/671997290.db2.gz LLBCZWDHCVOJJR-PIOFTHJTSA-N -1 0 323.353 -0.239 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989194722 671997302 /nfs/dbraw/zinc/99/73/02/671997302.db2.gz DCYSLDRDIXWVHI-KYXWUPHJSA-N -1 0 323.353 -0.549 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC000989247213 672469556 /nfs/dbraw/zinc/46/95/56/672469556.db2.gz YZCYALCYCGHQFW-BGZDPUMWSA-N -1 0 321.337 -0.342 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1nnc[nH]1 ZINC000729811406 672494645 /nfs/dbraw/zinc/49/46/45/672494645.db2.gz FRVCBTZQSUQVJO-UHFFFAOYSA-N -1 0 300.300 -0.186 20 0 DBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1cocn1 ZINC000729887409 672496633 /nfs/dbraw/zinc/49/66/33/672496633.db2.gz WYERAPDLQHVCNB-UHFFFAOYSA-N -1 0 324.318 -0.110 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000729916492 672497895 /nfs/dbraw/zinc/49/78/95/672497895.db2.gz QWOMGPVFWMNTSU-UHFFFAOYSA-N -1 0 321.399 -0.673 20 0 DBADRM O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000897620814 672500991 /nfs/dbraw/zinc/50/09/91/672500991.db2.gz KUHRHRQTCLLARK-GFCCVEGCSA-N -1 0 321.381 -0.063 20 0 DBADRM CC[C@H](F)CN1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000989562677 672562755 /nfs/dbraw/zinc/56/27/55/672562755.db2.gz JWFCPQHKRBKPFB-JTQLQIEISA-N -1 0 315.349 -0.028 20 0 DBADRM Cn1ccc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000989666074 672578259 /nfs/dbraw/zinc/57/82/59/672578259.db2.gz UBFGGGJZUJEITB-UHFFFAOYSA-N -1 0 305.342 -0.408 20 0 DBADRM C[C@@H]1C[C@@H](NCc2ccon2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000989717430 672587779 /nfs/dbraw/zinc/58/77/79/672587779.db2.gz FLMVDIHRXNCCEW-PSASIEDQSA-N -1 0 322.325 -0.544 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCCC1 ZINC000990036741 672632486 /nfs/dbraw/zinc/63/24/86/672632486.db2.gz OVMORUYTLNDSDU-UHFFFAOYSA-N -1 0 307.310 -0.586 20 0 DBADRM O=C(NC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1)C1CC1 ZINC000990028439 672632949 /nfs/dbraw/zinc/63/29/49/672632949.db2.gz UUWHCKVLSUKWKB-UHFFFAOYSA-N -1 0 301.306 -0.627 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)C3CCOCC3)C2)c1[O-] ZINC000990031929 672633357 /nfs/dbraw/zinc/63/33/57/672633357.db2.gz JUPPHHINTGAMCX-UHFFFAOYSA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cnccn3)C2)c1[O-] ZINC000990098283 672646776 /nfs/dbraw/zinc/64/67/76/672646776.db2.gz FNMPLWNQRKTHIX-UHFFFAOYSA-N -1 0 302.294 -0.532 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000990130275 672651829 /nfs/dbraw/zinc/65/18/29/672651829.db2.gz OGBPGODJUJAIRJ-VXNVDRBHSA-N -1 0 306.322 -0.918 20 0 DBADRM CNC(=O)CN1CC[C@]2(NC(=O)c3[nH]nc(C)c3[O-])CCC[C@H]12 ZINC000990195144 672672535 /nfs/dbraw/zinc/67/25/35/672672535.db2.gz WYTZJXDURCHYFV-ZUZCIYMTSA-N -1 0 321.381 -0.103 20 0 DBADRM CCO[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000990326657 672742095 /nfs/dbraw/zinc/74/20/95/672742095.db2.gz FJHHUVBMNDCDMB-UWVGGRQHSA-N -1 0 308.338 -0.211 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)Cn1nccn1 ZINC000942085888 677882723 /nfs/dbraw/zinc/88/27/23/677882723.db2.gz FEGRTTCQYHWZTK-UWVGGRQHSA-N -1 0 320.357 -0.871 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]2CNC(=O)c2cnon2)c1[O-] ZINC000943963136 678038456 /nfs/dbraw/zinc/03/84/56/678038456.db2.gz TVVKJLVYJPHTGP-MRVPVSSYSA-N -1 0 320.309 -0.159 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1c[nH]nc1C1CC1 ZINC001031191968 677340550 /nfs/dbraw/zinc/34/05/50/677340550.db2.gz HZMLZAYATHUXQM-UHFFFAOYSA-N -1 0 303.326 -0.275 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H](C)OC)C1 ZINC000764185749 677341053 /nfs/dbraw/zinc/34/10/53/677341053.db2.gz BJMLDAVJZYWBLR-VHSXEESVSA-N -1 0 306.384 -0.274 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000915172054 677342446 /nfs/dbraw/zinc/34/24/46/677342446.db2.gz QHIOJVKXFABGCR-GFCCVEGCSA-N -1 0 320.349 -0.236 20 0 DBADRM CC1(C)OCC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CO1 ZINC000754739505 677345085 /nfs/dbraw/zinc/34/50/85/677345085.db2.gz RUROCJBDGKOXON-UHFFFAOYSA-N -1 0 307.310 -0.661 20 0 DBADRM C[C@H](NC(=O)c1cc(=O)[nH][n-]1)c1cccc(S(N)(=O)=O)c1 ZINC000731865146 677346464 /nfs/dbraw/zinc/34/64/64/677346464.db2.gz GIJUXJHFGWTEGY-ZETCQYMHSA-N -1 0 310.335 -0.613 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000731880372 677346696 /nfs/dbraw/zinc/34/66/96/677346696.db2.gz LSKRGPUQORJIOB-BDAKNGLRSA-N -1 0 311.346 -0.673 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000731868258 677346868 /nfs/dbraw/zinc/34/68/68/677346868.db2.gz UQXPSMNYYBWFLQ-UHFFFAOYSA-N -1 0 324.362 -0.735 20 0 DBADRM CCC(=O)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@]2(C)C1 ZINC000993205879 677347424 /nfs/dbraw/zinc/34/74/24/677347424.db2.gz WWZPTHMIFVNHHQ-OTYXRUKQSA-N -1 0 323.353 -0.594 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCc2nc[nH]c2C1 ZINC001031216552 677349074 /nfs/dbraw/zinc/34/90/74/677349074.db2.gz UYDIZFVETVXPHB-MRVPVSSYSA-N -1 0 317.353 -0.661 20 0 DBADRM CNC(=O)CN1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C ZINC000993214978 677350107 /nfs/dbraw/zinc/35/01/07/677350107.db2.gz FFJFWTWDXKQIPC-ZJUUUORDSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(Cc1cn2ccccc2n1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732090597 677350546 /nfs/dbraw/zinc/35/05/46/677350546.db2.gz XTQWTVHDIWNLIP-LLVKDONJSA-N -1 0 313.321 -0.010 20 0 DBADRM O=C(NC1CC1)C1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CCC1 ZINC000732089277 677350609 /nfs/dbraw/zinc/35/06/09/677350609.db2.gz DRIDPEUBPBYLGA-JTQLQIEISA-N -1 0 320.353 -0.452 20 0 DBADRM COc1ccc(OC)c2c1CN(C(=O)c1cc(=O)[nH][n-]1)C[C@H]2O ZINC000732258566 677352385 /nfs/dbraw/zinc/35/23/85/677352385.db2.gz URKAZZAAKVCOHV-SNVBAGLBSA-N -1 0 319.317 -0.045 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000732263245 677352394 /nfs/dbraw/zinc/35/23/94/677352394.db2.gz BDBGCLJCEZMCJK-UHFFFAOYSA-N -1 0 307.354 -0.388 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000732267752 677352522 /nfs/dbraw/zinc/35/25/22/677352522.db2.gz UMTUIGRFSXLAGT-UHFFFAOYSA-N -1 0 318.308 -0.014 20 0 DBADRM CCNC(=O)COc1cccc(CNC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000732273837 677352757 /nfs/dbraw/zinc/35/27/57/677352757.db2.gz KITPGJOSPHCSQH-UHFFFAOYSA-N -1 0 318.333 -0.306 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000732270073 677352936 /nfs/dbraw/zinc/35/29/36/677352936.db2.gz YZACRIRCJNSZLJ-UHFFFAOYSA-N -1 0 318.308 -0.014 20 0 DBADRM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000732284274 677352987 /nfs/dbraw/zinc/35/29/87/677352987.db2.gz NSLVUJFWPNRERM-QMMMGPOBSA-N -1 0 324.362 -0.352 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000732281987 677353025 /nfs/dbraw/zinc/35/30/25/677353025.db2.gz IFTCVDIUXNVDHY-UHFFFAOYSA-N -1 0 316.317 -0.448 20 0 DBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000732289666 677353258 /nfs/dbraw/zinc/35/32/58/677353258.db2.gz BFRCRNZAFNHVPV-UHFFFAOYSA-N -1 0 316.383 -0.865 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737724601 677361346 /nfs/dbraw/zinc/36/13/46/677361346.db2.gz RJJPFSHPIOIYEL-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]S(C)(=O)=O ZINC000732492976 677361641 /nfs/dbraw/zinc/36/16/41/677361641.db2.gz FNUILSXCELCNKS-UHFFFAOYSA-N -1 0 312.394 -0.312 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000732520945 677363476 /nfs/dbraw/zinc/36/34/76/677363476.db2.gz OPLATAMYUPIYBM-UHFFFAOYSA-N -1 0 306.340 -0.992 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1csc(NC(C)=O)n1 ZINC000732520551 677363711 /nfs/dbraw/zinc/36/37/11/677363711.db2.gz ACUPMQYKDMPCKW-UHFFFAOYSA-N -1 0 307.353 -0.193 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000732521981 677363885 /nfs/dbraw/zinc/36/38/85/677363885.db2.gz ZWUZPQPVMVRHIK-VIFPVBQESA-N -1 0 306.384 -0.274 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccccc1OCC(N)=O ZINC000732523802 677363944 /nfs/dbraw/zinc/36/39/44/677363944.db2.gz XZDQWDFYEJANFH-UHFFFAOYSA-N -1 0 316.335 -0.743 20 0 DBADRM O=C(NC1CN(Cc2cnon2)C1)c1ccc2oc(=O)nc-2[n-]1 ZINC001031251681 677364785 /nfs/dbraw/zinc/36/47/85/677364785.db2.gz UXANRLJUUSXDFM-UHFFFAOYSA-N -1 0 316.277 -0.074 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000732607917 677366250 /nfs/dbraw/zinc/36/62/50/677366250.db2.gz SLRIKPQVGWLSCD-NSHDSACASA-N -1 0 324.362 -0.428 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccnn2C)cc1C(N)=O ZINC000732619702 677366807 /nfs/dbraw/zinc/36/68/07/677366807.db2.gz CHONOGBFFBHXFY-UHFFFAOYSA-N -1 0 322.346 -0.054 20 0 DBADRM O=C(CCCCN1CCOCC1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000737824217 677369882 /nfs/dbraw/zinc/36/98/82/677369882.db2.gz FZNOPFLZTGMCJZ-GFCCVEGCSA-N -1 0 324.385 -0.398 20 0 DBADRM COc1c(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)c(C)nn1C ZINC000732900335 677376638 /nfs/dbraw/zinc/37/66/38/677376638.db2.gz MWVHVMXXZZYRCD-UHFFFAOYSA-N -1 0 313.339 -0.411 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC000993676290 677384625 /nfs/dbraw/zinc/38/46/25/677384625.db2.gz XAKZCWTVDFHSMZ-BDAKNGLRSA-N -1 0 320.357 -0.280 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cc2c[nH]cn2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993887533 677393199 /nfs/dbraw/zinc/39/31/99/677393199.db2.gz REUCOQYLWABFQS-GXSJLCMTSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@@H]1[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CCC[N@@H+]1CCO ZINC000993950204 677395764 /nfs/dbraw/zinc/39/57/64/677395764.db2.gz LMZMUVHSOQMGAM-ZYHUDNBSSA-N -1 0 319.365 -0.402 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)CCC[N@@H+]1CCO ZINC000993950203 677395791 /nfs/dbraw/zinc/39/57/91/677395791.db2.gz LMZMUVHSOQMGAM-PWSUYJOCSA-N -1 0 319.365 -0.402 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993999949 677397415 /nfs/dbraw/zinc/39/74/15/677397415.db2.gz XDWHLQWRFBMEJZ-BDAKNGLRSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993999966 677397463 /nfs/dbraw/zinc/39/74/63/677397463.db2.gz XDWHLQWRFBMEJZ-RKDXNWHRSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2nnc[nH]2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994017894 677398919 /nfs/dbraw/zinc/39/89/19/677398919.db2.gz HAHNMUIWIDBJCZ-SFYZADRCSA-N -1 0 306.330 -0.589 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1(C2CC2)CC1 ZINC000994076717 677404286 /nfs/dbraw/zinc/40/42/86/677404286.db2.gz ARQPCTNLYVVAGJ-UHFFFAOYSA-N -1 0 319.321 -0.586 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994202237 677410397 /nfs/dbraw/zinc/41/03/97/677410397.db2.gz JJAAYJUSPWMPSW-BDAKNGLRSA-N -1 0 320.357 -0.660 20 0 DBADRM CC(C)(C)CS(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O ZINC000733055632 677412492 /nfs/dbraw/zinc/41/24/92/677412492.db2.gz ZLMOQVULTWTOKJ-UHFFFAOYSA-N -1 0 319.383 -0.190 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cccnc2)cc1C(N)=O ZINC000916185869 677415104 /nfs/dbraw/zinc/41/51/04/677415104.db2.gz ZETKRICDHIGZAC-UHFFFAOYSA-N -1 0 308.319 -0.362 20 0 DBADRM CCc1cnc(CN2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001031314673 677416461 /nfs/dbraw/zinc/41/64/61/677416461.db2.gz FYTPZFQJJAYGPA-UHFFFAOYSA-N -1 0 322.325 -0.760 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(Cc2nccs2)C1 ZINC001031314778 677416561 /nfs/dbraw/zinc/41/65/61/677416561.db2.gz JZQXFUASKVFNML-UHFFFAOYSA-N -1 0 310.339 -0.854 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(CCc2ccns2)C1 ZINC001031315028 677416576 /nfs/dbraw/zinc/41/65/76/677416576.db2.gz QKCLCFGOYXYTCB-UHFFFAOYSA-N -1 0 324.366 -0.811 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(CC2=CCCCC2)C1 ZINC001031315169 677416800 /nfs/dbraw/zinc/41/68/00/677416800.db2.gz XMRYYIVCZHILMO-UHFFFAOYSA-N -1 0 307.354 -0.010 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(Cc2ccns2)C1 ZINC001031315254 677416918 /nfs/dbraw/zinc/41/69/18/677416918.db2.gz YYDSEZDCPBVWIE-UHFFFAOYSA-N -1 0 310.339 -0.854 20 0 DBADRM Cc1nc(CN2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)oc1C ZINC001031315393 677417105 /nfs/dbraw/zinc/41/71/05/677417105.db2.gz AZYDKOOCPJCMQT-UHFFFAOYSA-N -1 0 322.325 -0.705 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1Cc2cccnc2C1 ZINC001031316716 677417829 /nfs/dbraw/zinc/41/78/29/677417829.db2.gz LHYOPHHGTSWBDH-SNVBAGLBSA-N -1 0 314.349 -0.379 20 0 DBADRM CS(=O)(=O)[N-]C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000916765914 677424370 /nfs/dbraw/zinc/42/43/70/677424370.db2.gz NYTCVPMGUIYTHY-UHFFFAOYSA-N -1 0 311.319 -0.572 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)COCC2CC2)cc1C(N)=O ZINC000916789175 677424394 /nfs/dbraw/zinc/42/43/94/677424394.db2.gz DMYFGSISMMPYIO-UHFFFAOYSA-N -1 0 315.351 -0.645 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc2n[nH]nc2c1 ZINC001031376245 677437497 /nfs/dbraw/zinc/43/74/97/677437497.db2.gz GMTVEFBJJSXEJB-UHFFFAOYSA-N -1 0 314.309 -0.604 20 0 DBADRM C[C@@H](C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CCC1 ZINC000994518647 677439075 /nfs/dbraw/zinc/43/90/75/677439075.db2.gz ROUKPWUFLRLPNB-MRVPVSSYSA-N -1 0 323.353 -0.548 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000918087847 677452263 /nfs/dbraw/zinc/45/22/63/677452263.db2.gz NTEDNNABIFLOGD-ZCFIWIBFSA-N -1 0 312.248 -0.874 20 0 DBADRM Cc1ccc(S(=O)(=O)NC2CC(N3CCOCC3)C2)nn1 ZINC000918276012 677454396 /nfs/dbraw/zinc/45/43/96/677454396.db2.gz GBAKUVSWNBARNB-UHFFFAOYSA-N -1 0 312.395 -0.073 20 0 DBADRM O=S(=O)(NCC12COCCN1CCOC2)c1ccns1 ZINC000918368226 677455103 /nfs/dbraw/zinc/45/51/03/677455103.db2.gz FPMGFHQLWBWNQC-UHFFFAOYSA-N -1 0 319.408 -0.477 20 0 DBADRM COCc1ncc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)s1 ZINC001031488771 677457344 /nfs/dbraw/zinc/45/73/44/677457344.db2.gz AHHMTGXBNJGZTL-UHFFFAOYSA-N -1 0 324.366 -0.273 20 0 DBADRM C[C@@H](C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)C1CCOCC1 ZINC001031498477 677459574 /nfs/dbraw/zinc/45/95/74/677459574.db2.gz VOGUTPIOIRWKLH-SECBINFHSA-N -1 0 309.370 -0.127 20 0 DBADRM O=S(=O)(N[C@@H](CO)CN1CCOCC1)c1ccccc1[O-] ZINC000918972143 677465390 /nfs/dbraw/zinc/46/53/90/677465390.db2.gz QKACSKLLABYQPX-LLVKDONJSA-N -1 0 316.379 -0.636 20 0 DBADRM CCc1ocnc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031591654 677475997 /nfs/dbraw/zinc/47/59/97/677475997.db2.gz KGDLZRSDPSOKBU-UHFFFAOYSA-N -1 0 306.326 -0.078 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCN(CC(F)(F)CO)CC1 ZINC000919564009 677477009 /nfs/dbraw/zinc/47/70/09/677477009.db2.gz CIFFOLZVWMMZCC-UHFFFAOYSA-N -1 0 310.326 -0.656 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cncc(F)c1 ZINC001031610786 677479090 /nfs/dbraw/zinc/47/90/90/677479090.db2.gz TYSCWERLBDKECF-UHFFFAOYSA-N -1 0 306.301 -0.094 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@H]3CO[C@@H](C)C3)C2)c1[O-] ZINC000994626403 677482557 /nfs/dbraw/zinc/48/25/57/677482557.db2.gz NNQOCZSCLZRLCQ-IONNQARKSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@H]3CO[C@H](C)C3)C2)c1[O-] ZINC000994626407 677482647 /nfs/dbraw/zinc/48/26/47/677482647.db2.gz NNQOCZSCLZRLCQ-VXNVDRBHSA-N -1 0 308.338 -0.211 20 0 DBADRM CCc1noc(CC)c1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766928143 677484404 /nfs/dbraw/zinc/48/44/04/677484404.db2.gz QTUHERURYZGKSV-UHFFFAOYSA-N -1 0 303.340 -0.727 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2nnn[n-]2)c1 ZINC000920972716 677498161 /nfs/dbraw/zinc/49/81/61/677498161.db2.gz OHQFOZCUZNXYLV-UHFFFAOYSA-N -1 0 314.302 -0.159 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)CCn1ccnc1 ZINC000921380331 677503140 /nfs/dbraw/zinc/50/31/40/677503140.db2.gz RZBANKJZOHCIQR-JTQLQIEISA-N -1 0 305.356 -0.619 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000921486610 677505442 /nfs/dbraw/zinc/50/54/42/677505442.db2.gz PNUFZENZMIRLLI-NSHDSACASA-N -1 0 312.370 -0.246 20 0 DBADRM CCCCNC(=O)N[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000064375407 677507228 /nfs/dbraw/zinc/50/72/28/677507228.db2.gz JYJIPKOVGUDANZ-UHFFFAOYSA-N -1 0 317.371 -0.583 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)[C@H]2CC23CC3)C1)c1n[nH]c(=O)[n-]c1=O ZINC000938349320 677515965 /nfs/dbraw/zinc/51/59/65/677515965.db2.gz FRKDGAIRCJBKMS-JGVFFNPUSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)C2=CCCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000938349422 677516018 /nfs/dbraw/zinc/51/60/18/677516018.db2.gz IZQKBYKKVKPLTM-VIFPVBQESA-N -1 0 319.321 -0.276 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938349346 677516084 /nfs/dbraw/zinc/51/60/84/677516084.db2.gz GHUJEHSCAUUIAA-DKCNVOGISA-N -1 0 307.310 -0.420 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2ccc[nH]2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000938349787 677516245 /nfs/dbraw/zinc/51/62/45/677516245.db2.gz JYDSDHRLWYWOEG-ZETCQYMHSA-N -1 0 318.293 -0.745 20 0 DBADRM CC[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938399861 677519442 /nfs/dbraw/zinc/51/94/42/677519442.db2.gz BQCKWAJOOQYGLW-ZJUUUORDSA-N -1 0 322.365 -0.137 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)C=C2CCC2)C1 ZINC000938388244 677519899 /nfs/dbraw/zinc/51/98/99/677519899.db2.gz BZBRWEHXKFNQSZ-JTQLQIEISA-N -1 0 321.337 -0.483 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC000938388637 677520072 /nfs/dbraw/zinc/52/00/72/677520072.db2.gz GPGMVUWWFLQKBD-XOULXFPDSA-N -1 0 321.337 -0.627 20 0 DBADRM CC1(C(=O)N[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CCC1 ZINC000938416306 677521189 /nfs/dbraw/zinc/52/11/89/677521189.db2.gz FRIKQJRPAZCXKJ-QMMMGPOBSA-N -1 0 321.337 -0.196 20 0 DBADRM CC1(C(=O)N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CCC1 ZINC000938416988 677521396 /nfs/dbraw/zinc/52/13/96/677521396.db2.gz YAIHVANJUMMYHN-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM Cn1cc(CCC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)cn1 ZINC000180229448 677552733 /nfs/dbraw/zinc/55/27/33/677552733.db2.gz YZPQAFGPMXCWEY-LLVKDONJSA-N -1 0 301.368 -0.022 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1)C1CC1 ZINC000939026093 677570751 /nfs/dbraw/zinc/57/07/51/677570751.db2.gz BJOGZDNIADYHGF-SNVBAGLBSA-N -1 0 315.333 -0.237 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCC1 ZINC000939030679 677571151 /nfs/dbraw/zinc/57/11/51/677571151.db2.gz NKUCUKWDMIQZTJ-MRVPVSSYSA-N -1 0 307.310 -0.586 20 0 DBADRM CC(=O)N(C)[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000939073676 677574583 /nfs/dbraw/zinc/57/45/83/677574583.db2.gz CWHDWXXSOGAEOW-JTQLQIEISA-N -1 0 318.337 -0.850 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000939120669 677578371 /nfs/dbraw/zinc/57/83/71/677578371.db2.gz ATMBTAIOKHHJIS-CIUDSAMLSA-N -1 0 321.337 -0.388 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1=CCCC1 ZINC000939995062 677642473 /nfs/dbraw/zinc/64/24/73/677642473.db2.gz BTEWMEROLXWJSB-SECBINFHSA-N -1 0 319.321 -0.276 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cn(C)nn3)C2)c1[O-] ZINC000940043047 677645248 /nfs/dbraw/zinc/64/52/48/677645248.db2.gz UTHNIEQMZZVPKJ-MRVPVSSYSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)Cc3ccon3)C2)c1[O-] ZINC000940038866 677645348 /nfs/dbraw/zinc/64/53/48/677645348.db2.gz QBQZYQHLTAZUBJ-SNVBAGLBSA-N -1 0 319.321 -0.015 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C3=COCCO3)C2)c1[O-] ZINC000940038937 677645352 /nfs/dbraw/zinc/64/53/52/677645352.db2.gz SGDMBLODAZLXPQ-SECBINFHSA-N -1 0 322.321 -0.357 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C(C)(C)C ZINC000940047260 677645635 /nfs/dbraw/zinc/64/56/35/677645635.db2.gz YCUOLTLCWMXFOI-HTQZYQBOSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cn(C)cn3)C2)c1[O-] ZINC000940038617 677645742 /nfs/dbraw/zinc/64/57/42/677645742.db2.gz HYTVBWKSGMEHEW-SECBINFHSA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C2)c1[O-] ZINC000940038591 677645911 /nfs/dbraw/zinc/64/59/11/677645911.db2.gz GWBGFOZWWRYAIC-NXEZZACHSA-N -1 0 308.338 -0.209 20 0 DBADRM COCC(=O)N1CC(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC000995039741 677648009 /nfs/dbraw/zinc/64/80/09/677648009.db2.gz UGPBVKXDZCVMLL-UHFFFAOYSA-N -1 0 324.381 -0.652 20 0 DBADRM COc1nc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001031879882 677660183 /nfs/dbraw/zinc/66/01/83/677660183.db2.gz BQMSFVQQNVCYBJ-UHFFFAOYSA-N -1 0 308.298 -0.631 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000940859803 677721684 /nfs/dbraw/zinc/72/16/84/677721684.db2.gz VTBXEKKVBDUPJO-VIFPVBQESA-N -1 0 320.357 -0.341 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cnon1 ZINC000941112885 677756365 /nfs/dbraw/zinc/75/63/65/677756365.db2.gz IPYVIPAUVWVYEM-VIFPVBQESA-N -1 0 321.341 -0.076 20 0 DBADRM COc1ncc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)cn1 ZINC000941446426 677805395 /nfs/dbraw/zinc/80/53/95/677805395.db2.gz QWPDGWMBYGVNHB-SECBINFHSA-N -1 0 317.309 -0.752 20 0 DBADRM C[C@]1(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)CCCOC1 ZINC000941446514 677805481 /nfs/dbraw/zinc/80/54/81/677805481.db2.gz VZRWUOBWMWEWNU-YGRLFVJLSA-N -1 0 307.354 -0.048 20 0 DBADRM COc1c(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)cnn1C ZINC000941446458 677805679 /nfs/dbraw/zinc/80/56/79/677805679.db2.gz SUQGYLATPKEUMZ-MRVPVSSYSA-N -1 0 319.325 -0.809 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000941446505 677805859 /nfs/dbraw/zinc/80/58/59/677805859.db2.gz VOZLRUHCFYDIPO-KOLCDFICSA-N -1 0 320.353 -0.854 20 0 DBADRM COc1cccnc1C(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000941446236 677805864 /nfs/dbraw/zinc/80/58/64/677805864.db2.gz JCWMEOAWJSDNPS-SECBINFHSA-N -1 0 316.321 -0.147 20 0 DBADRM Cn1ccc(=O)c(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)c1 ZINC000941446252 677805881 /nfs/dbraw/zinc/80/58/81/677805881.db2.gz JZNPYMVJUVMAIU-SECBINFHSA-N -1 0 316.321 -0.852 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCCC(=O)N1 ZINC001031971921 677848053 /nfs/dbraw/zinc/84/80/53/677848053.db2.gz YMWOLSZBTQDXSL-SNVBAGLBSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cnccn1 ZINC000941770360 677848819 /nfs/dbraw/zinc/84/88/19/677848819.db2.gz XJLWYWPVVSPHMY-ZJUUUORDSA-N -1 0 317.353 -0.059 20 0 DBADRM CC(C)=CC(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941792380 677852727 /nfs/dbraw/zinc/85/27/27/677852727.db2.gz PPDDJBQJKVZJIF-MRVPVSSYSA-N -1 0 307.310 -0.420 20 0 DBADRM O=C(NC1CN(C(=O)c2ccnn2C2CCC2)C1)c1cn[nH]n1 ZINC000995177492 677852999 /nfs/dbraw/zinc/85/29/99/677852999.db2.gz OEQNYFXZSAARKJ-UHFFFAOYSA-N -1 0 315.337 -0.019 20 0 DBADRM CC[C@H]1C[C@H](C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)CC(=O)N1 ZINC000995177742 677853393 /nfs/dbraw/zinc/85/33/93/677853393.db2.gz CPNXFDDWEIBYMR-IUCAKERBSA-N -1 0 320.353 -0.950 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)Cn1cccn1 ZINC000941817939 677853848 /nfs/dbraw/zinc/85/38/48/677853848.db2.gz DPIJHILEUFZGIH-MNOVXSKESA-N -1 0 319.369 -0.266 20 0 DBADRM CC1(C)C[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000941933843 677864606 /nfs/dbraw/zinc/86/46/06/677864606.db2.gz FDCLLOBSQDTKHE-BDAKNGLRSA-N -1 0 323.353 -0.548 20 0 DBADRM CC[C@H](C)C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000941934107 677864934 /nfs/dbraw/zinc/86/49/34/677864934.db2.gz MICRDWJRLFSSQY-DTWKUNHWSA-N -1 0 311.342 -0.548 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000942140832 677886826 /nfs/dbraw/zinc/88/68/26/677886826.db2.gz ISNGRZHQUCNBKN-SECBINFHSA-N -1 0 318.337 -0.802 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3ncccn3)C2)c1[O-] ZINC000942264288 677906069 /nfs/dbraw/zinc/90/60/69/677906069.db2.gz USVFKZIPHGUFPW-SECBINFHSA-N -1 0 316.321 -0.142 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cncn1C ZINC000942303075 677911739 /nfs/dbraw/zinc/91/17/39/677911739.db2.gz KNVTXDRBSMBHGZ-ZJUUUORDSA-N -1 0 319.369 -0.116 20 0 DBADRM Cc1ccc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)c(=O)[nH]1 ZINC001032008418 677917818 /nfs/dbraw/zinc/91/78/18/677917818.db2.gz AXGAPICJBLYPOX-UHFFFAOYSA-N -1 0 318.337 -0.219 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)c1[O-] ZINC000942469193 677936225 /nfs/dbraw/zinc/93/62/25/677936225.db2.gz RGNTYRBQHSMOFX-MRVPVSSYSA-N -1 0 319.325 -0.885 20 0 DBADRM CCN(C(=O)C1CC1)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000942630772 677953182 /nfs/dbraw/zinc/95/31/82/677953182.db2.gz PPALDJDEJDAPBV-JTQLQIEISA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)Cc1c[nH]cn1 ZINC000943174405 677982409 /nfs/dbraw/zinc/98/24/09/677982409.db2.gz CPRIHMVJTQIAKU-GXSJLCMTSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)Cc1c[nH]cn1 ZINC000943174406 677982502 /nfs/dbraw/zinc/98/25/02/677982502.db2.gz CPRIHMVJTQIAKU-KOLCDFICSA-N -1 0 319.369 -0.197 20 0 DBADRM O=C(NC1CCN(C(=O)C(F)F)CC1)c1n[nH]c(=O)[n-]c1=O ZINC000943200618 677982671 /nfs/dbraw/zinc/98/26/71/677982671.db2.gz XXDDHUPSNJOEBA-UHFFFAOYSA-N -1 0 317.252 -0.731 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCCN(C(=O)CC(N)=O)C2)c1[O-] ZINC000943194274 677982984 /nfs/dbraw/zinc/98/29/84/677982984.db2.gz LKOPVKWWGZSQJD-VIFPVBQESA-N -1 0 323.353 -0.590 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1c[nH]nc1C1CC1 ZINC001032097490 678008851 /nfs/dbraw/zinc/00/88/51/678008851.db2.gz AKTZKYMNQQBUNN-UHFFFAOYSA-N -1 0 317.353 -0.027 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000943870870 678025585 /nfs/dbraw/zinc/02/55/85/678025585.db2.gz FWXPJKHLDFEHOK-SNVBAGLBSA-N -1 0 322.365 -0.137 20 0 DBADRM CO[C@@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(F)(F)F ZINC000733238552 678035960 /nfs/dbraw/zinc/03/59/60/678035960.db2.gz YQYALXWHQQOLPG-ZETCQYMHSA-N -1 0 319.243 -0.235 20 0 DBADRM C[C@@H](C(N)=O)N1CC(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001032125719 678036254 /nfs/dbraw/zinc/03/62/54/678036254.db2.gz WECZXWKIWABWSP-ZETCQYMHSA-N -1 0 319.321 -0.536 20 0 DBADRM Cc1nn(C)c(F)c1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032158579 678046925 /nfs/dbraw/zinc/04/69/25/678046925.db2.gz XNFAQBFNUPQXQI-UHFFFAOYSA-N -1 0 323.332 -0.447 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCO[C@H](CNC(=O)C3CC3)C2)c1[O-] ZINC000944429275 678080662 /nfs/dbraw/zinc/08/06/62/678080662.db2.gz VHQFQDOLBAHERV-SNVBAGLBSA-N -1 0 308.338 -0.209 20 0 DBADRM CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000995555860 678113728 /nfs/dbraw/zinc/11/37/28/678113728.db2.gz RZSQJHRINQTKLR-CSMHCCOUSA-N -1 0 307.310 -0.446 20 0 DBADRM CC(=O)N1CCC2(CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000944807180 678130745 /nfs/dbraw/zinc/13/07/45/678130745.db2.gz LENMJGSPJXVVEV-UHFFFAOYSA-N -1 0 307.310 -0.633 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](C)C1 ZINC000945079380 678141830 /nfs/dbraw/zinc/14/18/30/678141830.db2.gz RPNXATZRCYDXQS-IUCAKERBSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC000945183070 678144163 /nfs/dbraw/zinc/14/41/63/678144163.db2.gz KGCHTUFRNRVWFQ-DTWKUNHWSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C(NC1CCN(C(=O)[C@H]2CCCOC2)CC1)c1cn[nH]n1 ZINC000945197462 678144971 /nfs/dbraw/zinc/14/49/71/678144971.db2.gz XNZFZPSUFZQTDK-JTQLQIEISA-N -1 0 307.354 -0.048 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnns2)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000945197395 678145209 /nfs/dbraw/zinc/14/52/09/678145209.db2.gz PUYGRCPNEKIYBW-HTQZYQBOSA-N -1 0 321.366 -0.063 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000945310908 678149630 /nfs/dbraw/zinc/14/96/30/678149630.db2.gz ONHKDVGWDQNHJM-BDAKNGLRSA-N -1 0 318.341 -0.786 20 0 DBADRM C[C@H]1CN(C(=O)c2cnnn2C)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000945310910 678149791 /nfs/dbraw/zinc/14/97/91/678149791.db2.gz ONHKDVGWDQNHJM-IUCAKERBSA-N -1 0 318.341 -0.786 20 0 DBADRM C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000945312222 678149801 /nfs/dbraw/zinc/14/98/01/678149801.db2.gz SMPMWSVWUCYHGA-BDAKNGLRSA-N -1 0 318.341 -0.786 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C ZINC000945416368 678154926 /nfs/dbraw/zinc/15/49/26/678154926.db2.gz YIDSIGMGGBCILD-PSASIEDQSA-N -1 0 318.337 -0.596 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC000945434799 678155607 /nfs/dbraw/zinc/15/56/07/678155607.db2.gz KSZYIIRLRTUTPX-KWQFWETISA-N -1 0 308.338 -0.527 20 0 DBADRM CC(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC[C@@H]21 ZINC000945995286 678190523 /nfs/dbraw/zinc/19/05/23/678190523.db2.gz CMYPDNGHDNKJIN-ZJUUUORDSA-N -1 0 309.326 -0.841 20 0 DBADRM CCC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@@H]21 ZINC000945994674 678190543 /nfs/dbraw/zinc/19/05/43/678190543.db2.gz FZSNLUWSLGLZRH-BDAKNGLRSA-N -1 0 321.337 -0.244 20 0 DBADRM CC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@H]21 ZINC000945995308 678190580 /nfs/dbraw/zinc/19/05/80/678190580.db2.gz HDFSTGJKLUCOOB-DTWKUNHWSA-N -1 0 307.310 -0.634 20 0 DBADRM CCC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@H]21 ZINC000945994676 678190862 /nfs/dbraw/zinc/19/08/62/678190862.db2.gz FZSNLUWSLGLZRH-DTWKUNHWSA-N -1 0 321.337 -0.244 20 0 DBADRM CC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000946068565 678197675 /nfs/dbraw/zinc/19/76/75/678197675.db2.gz KNEKVORNRPWGQX-ONGXEEELSA-N -1 0 308.338 -0.480 20 0 DBADRM CC(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000995781285 678205750 /nfs/dbraw/zinc/20/57/50/678205750.db2.gz MVTYTNBQWIXXBR-VGMNWLOBSA-N -1 0 321.337 -0.200 20 0 DBADRM O=C(C[C@@H]1CCCO1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032293902 678220680 /nfs/dbraw/zinc/22/06/80/678220680.db2.gz HNLULKPMMDDYHU-DCAQKATOSA-N -1 0 307.354 -0.136 20 0 DBADRM COCC(=O)N1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000996394945 678240492 /nfs/dbraw/zinc/24/04/92/678240492.db2.gz BLYGRHZEYWGYEL-UHFFFAOYSA-N -1 0 306.278 -0.485 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)N2CCCCC2)CCC1 ZINC000733683060 678251964 /nfs/dbraw/zinc/25/19/64/678251964.db2.gz ISZROBCSNJKOQO-UHFFFAOYSA-N -1 0 303.384 -0.250 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)cc1 ZINC000733715795 678253393 /nfs/dbraw/zinc/25/33/93/678253393.db2.gz IZUVJJVHGOLKKJ-MRVPVSSYSA-N -1 0 300.336 -0.120 20 0 DBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)CC2CC2)CC1=O ZINC000733702934 678254011 /nfs/dbraw/zinc/25/40/11/678254011.db2.gz CTOOWLIDFXOWLI-JTQLQIEISA-N -1 0 304.368 -0.663 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000733716688 678254333 /nfs/dbraw/zinc/25/43/33/678254333.db2.gz SGSDTELGIOELEL-WDEREUQCSA-N -1 0 320.411 -0.028 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000733716465 678254402 /nfs/dbraw/zinc/25/44/02/678254402.db2.gz PWRPJADQJRFOCH-JTQLQIEISA-N -1 0 322.383 -0.894 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000733716553 678254535 /nfs/dbraw/zinc/25/45/35/678254535.db2.gz SGSDTELGIOELEL-GHMZBOCLSA-N -1 0 320.411 -0.028 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733720964 678255890 /nfs/dbraw/zinc/25/58/90/678255890.db2.gz FIYFYIWQVKOHEL-WPRPVWTQSA-N -1 0 316.335 -0.367 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC000733718749 678255897 /nfs/dbraw/zinc/25/58/97/678255897.db2.gz VVAQWQGIQZCYTC-KOLCDFICSA-N -1 0 306.384 -0.274 20 0 DBADRM CC(=O)Nc1nc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cs1 ZINC000733725698 678256129 /nfs/dbraw/zinc/25/61/29/678256129.db2.gz RBKWQRMAARNNJN-ZETCQYMHSA-N -1 0 319.364 -0.050 20 0 DBADRM O=C(CCn1ccccc1=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733722816 678256468 /nfs/dbraw/zinc/25/64/68/678256468.db2.gz YEOCJKIWNRWYMU-JTQLQIEISA-N -1 0 300.336 -0.527 20 0 DBADRM O=C(CCOC[C@H]1CCCO1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733723098 678256488 /nfs/dbraw/zinc/25/64/88/678256488.db2.gz JGBXWMBRUOCCMS-GHMZBOCLSA-N -1 0 307.368 -0.193 20 0 DBADRM O=C(CCOC[C@@H]1CCCO1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733723101 678256504 /nfs/dbraw/zinc/25/65/04/678256504.db2.gz JGBXWMBRUOCCMS-WDEREUQCSA-N -1 0 307.368 -0.193 20 0 DBADRM COC(=O)CCC(C)(C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000733971620 678269750 /nfs/dbraw/zinc/26/97/50/678269750.db2.gz HRZHOFQVGYCRSH-UHFFFAOYSA-N -1 0 321.337 -0.081 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000734016544 678270940 /nfs/dbraw/zinc/27/09/40/678270940.db2.gz SDKFMIRMURFIBH-UHFFFAOYSA-N -1 0 310.251 -0.093 20 0 DBADRM CCc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)OC)[nH]n1 ZINC000734088757 678274982 /nfs/dbraw/zinc/27/49/82/678274982.db2.gz PVHRNSGULSVHGQ-UHFFFAOYSA-N -1 0 303.340 -0.015 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)COC[C@@H]1CCCO1 ZINC000734089294 678275105 /nfs/dbraw/zinc/27/51/05/678275105.db2.gz NQEOGOTYLMERJU-JTQLQIEISA-N -1 0 323.367 -0.419 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)/C=C\c1cnn(C)c1 ZINC000734091286 678275142 /nfs/dbraw/zinc/27/51/42/678275142.db2.gz ROYLPLXLLKKOGD-WAYWQWQTSA-N -1 0 315.351 -0.168 20 0 DBADRM O=C(C=C1CCC1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996737968 678288489 /nfs/dbraw/zinc/28/84/89/678288489.db2.gz XNLYVRKDXGZMPL-UHFFFAOYSA-N -1 0 305.294 -0.666 20 0 DBADRM O=C(NC1CN(C(=O)c2ccoc2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996744159 678290668 /nfs/dbraw/zinc/29/06/68/678290668.db2.gz JFNGSUWUQAGCAZ-UHFFFAOYSA-N -1 0 305.250 -0.870 20 0 DBADRM CC(C)[C@H](F)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996745379 678291039 /nfs/dbraw/zinc/29/10/39/678291039.db2.gz OFJOCQQPRBTWNB-ZETCQYMHSA-N -1 0 313.289 -0.783 20 0 DBADRM COC(=O)COc1cccc(CNC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000734549088 678291434 /nfs/dbraw/zinc/29/14/34/678291434.db2.gz IPKCDNGBFWZKHF-UHFFFAOYSA-N -1 0 305.290 -0.270 20 0 DBADRM O=C(NC1CN(C(=O)[C@H]2CC=CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996747454 678291571 /nfs/dbraw/zinc/29/15/71/678291571.db2.gz ZQORJABPBAISQH-QMMMGPOBSA-N -1 0 319.321 -0.420 20 0 DBADRM O=C(C[C@H]1CCOC1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032327449 678302679 /nfs/dbraw/zinc/30/26/79/678302679.db2.gz VAUJSPKHIJLSLW-VWYCJHECSA-N -1 0 307.354 -0.278 20 0 DBADRM O=C(CCCn1ccccc1=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000735217014 678321335 /nfs/dbraw/zinc/32/13/35/678321335.db2.gz UYTZNLLGTURETH-LLVKDONJSA-N -1 0 314.363 -0.137 20 0 DBADRM CC(C)CCS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735218393 678321632 /nfs/dbraw/zinc/32/16/32/678321632.db2.gz QORJNWRPGAUCGB-UHFFFAOYSA-N -1 0 317.367 -0.810 20 0 DBADRM COc1cc(OC)cc([C@@H](O)CNC(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000735689466 678341257 /nfs/dbraw/zinc/34/12/57/678341257.db2.gz ANGXBEQJLWDTNZ-JTQLQIEISA-N -1 0 308.294 -0.009 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cnnn2C)c1[O-] ZINC001032356228 678343024 /nfs/dbraw/zinc/34/30/24/678343024.db2.gz PCDNTJFIHYXZDN-UWVGGRQHSA-N -1 0 317.353 -0.349 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3CCn2cncn2)c1[O-] ZINC001032358260 678343441 /nfs/dbraw/zinc/34/34/41/678343441.db2.gz AHPMZKDVNPUDDD-QWRGUYRKSA-N -1 0 317.353 -0.386 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cocn1 ZINC000735770097 678343620 /nfs/dbraw/zinc/34/36/20/678343620.db2.gz DCBWNJKJJZWJMO-SECBINFHSA-N -1 0 317.323 -0.323 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000735759641 678344249 /nfs/dbraw/zinc/34/42/49/678344249.db2.gz UTZSZSONWALMMU-JTQLQIEISA-N -1 0 310.358 -0.348 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)COC(C)C ZINC000735774297 678345099 /nfs/dbraw/zinc/34/50/99/678345099.db2.gz WKWLXKPFVSOPKR-SNVBAGLBSA-N -1 0 322.383 -0.200 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)OCC ZINC000735771272 678345419 /nfs/dbraw/zinc/34/54/19/678345419.db2.gz FSKUJOMMCZGVBC-VHSXEESVSA-N -1 0 322.383 -0.200 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)nn1 ZINC000735916911 678353450 /nfs/dbraw/zinc/35/34/50/678353450.db2.gz HASGWKQZXMVRBK-UHFFFAOYSA-N -1 0 314.367 -0.217 20 0 DBADRM COC(=O)[C@](C)(NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC000736052762 678362541 /nfs/dbraw/zinc/36/25/41/678362541.db2.gz RSFBBPZIEYIWLA-CQSZACIVSA-N -1 0 319.321 -0.471 20 0 DBADRM O=C(c1ncccc1O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032369506 678364416 /nfs/dbraw/zinc/36/44/16/678364416.db2.gz FVRMIIGBFPSCJG-IUCAKERBSA-N -1 0 316.321 -0.290 20 0 DBADRM Cc1ccnc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)n1 ZINC001032383141 678385048 /nfs/dbraw/zinc/38/50/48/678385048.db2.gz NXKKNFLJCFZTNQ-UWVGGRQHSA-N -1 0 315.337 -0.292 20 0 DBADRM CCC[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)c1nnn[n-]1 ZINC000736430555 678397416 /nfs/dbraw/zinc/39/74/16/678397416.db2.gz WDPLNEYFVCGFSA-MRVPVSSYSA-N -1 0 307.314 -0.903 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000997257051 678422895 /nfs/dbraw/zinc/42/28/95/678422895.db2.gz AQDRERGHAAKERW-XLKFXECMSA-N -1 0 321.337 -0.794 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000997260923 678423496 /nfs/dbraw/zinc/42/34/96/678423496.db2.gz MSEZZAQPQLOIOB-VHSXEESVSA-N -1 0 321.337 -0.938 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000997258779 678423752 /nfs/dbraw/zinc/42/37/52/678423752.db2.gz VLPXJPYEQBDQCZ-BDAKNGLRSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@@H](C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000997262993 678424190 /nfs/dbraw/zinc/42/41/90/678424190.db2.gz DMGQMLOAXOHWQV-SSDOTTSWSA-N -1 0 309.326 -0.938 20 0 DBADRM Cc1cc(C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)co1 ZINC000997262814 678424222 /nfs/dbraw/zinc/42/42/22/678424222.db2.gz BZUGEXFWWJOZTP-UHFFFAOYSA-N -1 0 321.293 -0.768 20 0 DBADRM CC(C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)=C1CCC1 ZINC000997268312 678424919 /nfs/dbraw/zinc/42/49/19/678424919.db2.gz YSGNTFKSOGLBMS-UHFFFAOYSA-N -1 0 321.337 -0.483 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)CCC2CCC2)C1 ZINC000997265691 678424979 /nfs/dbraw/zinc/42/49/79/678424979.db2.gz OCISPDIPDCMXTH-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CC(C)CC(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997359344 678433032 /nfs/dbraw/zinc/43/30/32/678433032.db2.gz VMBVRFRSHYSFMF-UHFFFAOYSA-N -1 0 308.338 -0.527 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000888327251 678436607 /nfs/dbraw/zinc/43/66/07/678436607.db2.gz VXAAXIGBARQOMI-ZDUSSCGKSA-N -1 0 310.358 -0.083 20 0 DBADRM C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032455008 678442783 /nfs/dbraw/zinc/44/27/83/678442783.db2.gz WBVYZWOLIOYLRO-GMOBBJLQSA-N -1 0 323.353 -0.901 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000888330714 678463489 /nfs/dbraw/zinc/46/34/89/678463489.db2.gz XTWAPHNXHUMSBC-LLVKDONJSA-N -1 0 309.374 -0.699 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(Cc2cscn2)CC1 ZINC000888341635 678466139 /nfs/dbraw/zinc/46/61/39/678466139.db2.gz MAQPUJMEBMYZPA-UHFFFAOYSA-N -1 0 322.398 -0.079 20 0 DBADRM C/C=C(\C)C(=O)N1CCC(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000946222256 678477222 /nfs/dbraw/zinc/47/72/22/678477222.db2.gz GXXFMOGGUYYWGJ-YCRREMRBSA-N -1 0 323.353 -0.237 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@@H]2C[C@H]1CN2C/C=C/Cl ZINC001032500480 678479303 /nfs/dbraw/zinc/47/93/03/678479303.db2.gz XIIGQZDILNRGLD-HIQWKFPQSA-N -1 0 311.729 -0.066 20 0 DBADRM Cn1cncc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032502474 678479873 /nfs/dbraw/zinc/47/98/73/678479873.db2.gz WOMYRYARKKBVHZ-IUCAKERBSA-N -1 0 303.326 -0.657 20 0 DBADRM O=C(N[C@H]1CCC[C@H]1CNC(=O)c1ccnnc1)c1cn[nH]n1 ZINC000946251091 678485089 /nfs/dbraw/zinc/48/50/89/678485089.db2.gz ZYJCIUBGPZPQKJ-ONGXEEELSA-N -1 0 315.337 -0.077 20 0 DBADRM CC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000946253923 678486039 /nfs/dbraw/zinc/48/60/39/678486039.db2.gz QCRUHRVIOXOOQK-NXEZZACHSA-N -1 0 318.337 -0.548 20 0 DBADRM O=C(NCC1CCN(C(=O)C2CC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC000948614435 678504683 /nfs/dbraw/zinc/50/46/83/678504683.db2.gz BGNKFJDAXYWLJR-UHFFFAOYSA-N -1 0 321.337 -0.339 20 0 DBADRM O=C(c1csnn1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032544406 678506351 /nfs/dbraw/zinc/50/63/51/678506351.db2.gz RGYAPHCDVQUXMJ-BQBZGAKWSA-N -1 0 307.339 -0.539 20 0 DBADRM C[C@]1(C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C=CCC1 ZINC000997846591 678522168 /nfs/dbraw/zinc/52/21/68/678522168.db2.gz LTSORXUICXBCEC-AWEZNQCLSA-N -1 0 321.337 -0.627 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1[O-] ZINC000997923306 678537284 /nfs/dbraw/zinc/53/72/84/678537284.db2.gz ASBBYXHMPVVJQJ-MYJAWHEDSA-N -1 0 306.322 -0.743 20 0 DBADRM Cc1coc(C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)c1 ZINC000997953297 678542244 /nfs/dbraw/zinc/54/22/44/678542244.db2.gz MBFYONYJJUMHIX-UHFFFAOYSA-N -1 0 319.277 -0.561 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@@H]3CCO[C@@H]3C)C2)c1[O-] ZINC000998397932 678596055 /nfs/dbraw/zinc/59/60/55/678596055.db2.gz MIEXFTOTTMHGOH-PSASIEDQSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](NCc3nncn3C)C2)c1[O-] ZINC000998957368 678661231 /nfs/dbraw/zinc/66/12/31/678661231.db2.gz YDXGLTRHPZSRLW-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](NCc3ncnn3C)C2)c1[O-] ZINC000998957295 678661280 /nfs/dbraw/zinc/66/12/80/678661280.db2.gz XYJRVDODFITILF-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000999080649 678670716 /nfs/dbraw/zinc/67/07/16/678670716.db2.gz VJVGYACTFUIXBR-BDAKNGLRSA-N -1 0 320.349 -0.527 20 0 DBADRM O=C(c1cccnn1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032695966 678696856 /nfs/dbraw/zinc/69/68/56/678696856.db2.gz ZIOHUZGHIGIJAA-IUCAKERBSA-N -1 0 301.310 -0.601 20 0 DBADRM Cc1cnoc1C(=O)N(C)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000999638223 678729270 /nfs/dbraw/zinc/72/92/70/678729270.db2.gz NXHQZIQLVVYAIW-UHFFFAOYSA-N -1 0 320.353 -0.202 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cncc(Br)c1 ZINC000921686281 678735554 /nfs/dbraw/zinc/73/55/54/678735554.db2.gz IHCPFPOVAPNUTQ-UHFFFAOYSA-N -1 0 324.156 -0.200 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCCO2)cc1C(N)=O ZINC000756218511 678815822 /nfs/dbraw/zinc/81/58/22/678815822.db2.gz ZXQUXYWYRDEEFI-LBPRGKRZSA-N -1 0 315.351 -0.502 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)N2CCCC2)C1 ZINC000772973709 678816802 /nfs/dbraw/zinc/81/68/02/678816802.db2.gz SRQIIZLNVGJBFV-SNVBAGLBSA-N -1 0 303.384 -0.298 20 0 DBADRM O=C(c1ccc(=O)[nH]c1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032762828 678822865 /nfs/dbraw/zinc/82/28/65/678822865.db2.gz BKLOINVMBAXCKR-UWVGGRQHSA-N -1 0 316.321 -0.290 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000921764421 678836829 /nfs/dbraw/zinc/83/68/29/678836829.db2.gz WBUSESKPDULNES-JTQLQIEISA-N -1 0 312.370 -0.103 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1=COCCO1 ZINC001000397494 678838968 /nfs/dbraw/zinc/83/89/68/678838968.db2.gz GPNNUWSRRFIQCG-UHFFFAOYSA-N -1 0 321.337 -0.353 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001000776028 678873055 /nfs/dbraw/zinc/87/30/55/678873055.db2.gz UEGOZQFGJQSKAI-SVRRBLITSA-N -1 0 307.310 -0.873 20 0 DBADRM O=C(NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccc[nH]1 ZINC001000903423 678880933 /nfs/dbraw/zinc/88/09/33/678880933.db2.gz JAXVCYOIDLRKKC-UHFFFAOYSA-N -1 0 318.293 -0.887 20 0 DBADRM CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001000931876 678884456 /nfs/dbraw/zinc/88/44/56/678884456.db2.gz SYNGGONSDFCNFT-IEBDPFPHSA-N -1 0 321.337 -0.517 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3cnsn3)C2)c1[O-] ZINC001001049307 678893371 /nfs/dbraw/zinc/89/33/71/678893371.db2.gz USJIHLUXEDTZCB-UHFFFAOYSA-N -1 0 322.350 -0.223 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1=COCCO1 ZINC001001158974 678908563 /nfs/dbraw/zinc/90/85/63/678908563.db2.gz FNZOHPPSGSVGFS-UHFFFAOYSA-N -1 0 323.353 -0.273 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cccnn1 ZINC001001289917 678925152 /nfs/dbraw/zinc/92/51/52/678925152.db2.gz DZSMNQJQUBJDEE-UHFFFAOYSA-N -1 0 315.337 -0.138 20 0 DBADRM Cn1cnc(C(=O)NCC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1 ZINC001001313556 678926602 /nfs/dbraw/zinc/92/66/02/678926602.db2.gz WUMIBVWTEBHOHY-UHFFFAOYSA-N -1 0 319.369 -0.114 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3cnccn3)C2)c1[O-] ZINC001001457546 678933203 /nfs/dbraw/zinc/93/32/03/678933203.db2.gz ZNHUEXQQQKSTAC-UHFFFAOYSA-N -1 0 316.321 -0.284 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)CC3(O)CCC3)C2)c1[O-] ZINC001001455185 678933328 /nfs/dbraw/zinc/93/33/28/678933328.db2.gz MUCCDTHEBAXOKC-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM CC1(C)C[C@H]1C(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001001471674 678934602 /nfs/dbraw/zinc/93/46/02/678934602.db2.gz LMOLUNYYWHDLRM-VIFPVBQESA-N -1 0 323.353 -0.690 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3cn(C)cn3)C2)c1[O-] ZINC001001454658 678936104 /nfs/dbraw/zinc/93/61/04/678936104.db2.gz KMMJWCGISWIXOL-UHFFFAOYSA-N -1 0 318.337 -0.341 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3ncc[nH]3)C2)c1[O-] ZINC001001451824 678936289 /nfs/dbraw/zinc/93/62/89/678936289.db2.gz BPGGOCULFHTYHB-UHFFFAOYSA-N -1 0 304.310 -0.351 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3c[nH]nc3C)C2)c1[O-] ZINC001001451008 678936351 /nfs/dbraw/zinc/93/63/51/678936351.db2.gz HGCCBAONTVDPLU-UHFFFAOYSA-N -1 0 318.337 -0.043 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3csnn3)C2)c1[O-] ZINC001001454042 678936500 /nfs/dbraw/zinc/93/65/00/678936500.db2.gz WYCWEDRBUNDHNP-UHFFFAOYSA-N -1 0 322.350 -0.223 20 0 DBADRM Cc1nonc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032817100 678945897 /nfs/dbraw/zinc/94/58/97/678945897.db2.gz NRXAIFYXOGMFTM-YUMQZZPRSA-N -1 0 305.298 -0.699 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccnnc1 ZINC001001889692 678961425 /nfs/dbraw/zinc/96/14/25/678961425.db2.gz BRSDABPQOHODFT-UHFFFAOYSA-N -1 0 317.353 -0.058 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCCN2C(=O)CC(N)=O)c1[O-] ZINC001002292031 678974954 /nfs/dbraw/zinc/97/49/54/678974954.db2.gz FIIUZOXNMOPLHL-VIFPVBQESA-N -1 0 323.353 -0.638 20 0 DBADRM CCOCCOCC[N-]S(=O)(=O)N=[S@](C)(=O)CC ZINC000921887988 678977108 /nfs/dbraw/zinc/97/71/08/678977108.db2.gz HMLBTARVSSZCGP-QGZVFWFLSA-N -1 0 302.418 -0.008 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCN(Cc3nncn3C)CC2)c1[O-] ZINC001002606739 678991269 /nfs/dbraw/zinc/99/12/69/678991269.db2.gz MNQARGOHLNGXOB-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)NCC(=O)[N-]OC)[C@]12CCCO2 ZINC000921960165 678994406 /nfs/dbraw/zinc/99/44/06/678994406.db2.gz MBQWTUPOVPYNES-GIPNMCIBSA-N -1 0 301.343 -0.310 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)NCC(=O)[N-]OC)[C@@]12CCCO2 ZINC000921960163 678994580 /nfs/dbraw/zinc/99/45/80/678994580.db2.gz MBQWTUPOVPYNES-CWSCBRNRSA-N -1 0 301.343 -0.310 20 0 DBADRM Cn1cc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC001002748157 679000066 /nfs/dbraw/zinc/00/00/66/679000066.db2.gz IWQCTNDIFTXSFC-UHFFFAOYSA-N -1 0 306.330 -0.967 20 0 DBADRM CN1C[C@@H](C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1=O ZINC001002950663 679012463 /nfs/dbraw/zinc/01/24/63/679012463.db2.gz RVOONGHXZBVJJW-VIFPVBQESA-N -1 0 322.369 -0.931 20 0 DBADRM Cn1cc(CN2CCC(NC(=O)c3cnc[nH]c3=O)CC2)nn1 ZINC001003108605 679023120 /nfs/dbraw/zinc/02/31/20/679023120.db2.gz UZGWRWIQKJPFSN-UHFFFAOYSA-N -1 0 317.353 -0.295 20 0 DBADRM Cn1cncc1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003254433 679030760 /nfs/dbraw/zinc/03/07/60/679030760.db2.gz CZQUDKOVHYLXMM-UHFFFAOYSA-N -1 0 305.342 -0.362 20 0 DBADRM CC1(C(=O)N2CC(CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001003392249 679037394 /nfs/dbraw/zinc/03/73/94/679037394.db2.gz UYXSCHXWCYENOG-UHFFFAOYSA-N -1 0 307.310 -0.729 20 0 DBADRM O=C(NCC1CN(C(=O)c2ccc[nH]2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001003393421 679037396 /nfs/dbraw/zinc/03/73/96/679037396.db2.gz JMIMOWHIEGXFSC-UHFFFAOYSA-N -1 0 318.293 -0.887 20 0 DBADRM O=C(NCC1CN(C(=O)c2ccoc2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001003392575 679037911 /nfs/dbraw/zinc/03/79/11/679037911.db2.gz AWLFSEUZFXRXPS-UHFFFAOYSA-N -1 0 319.277 -0.622 20 0 DBADRM O=C(NCC1CN(C(=O)c2ccco2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001003392706 679037913 /nfs/dbraw/zinc/03/79/13/679037913.db2.gz DLOYXRFTRGVKLT-UHFFFAOYSA-N -1 0 319.277 -0.622 20 0 DBADRM C[C@@H]1CC[N@H+](CC(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001003626961 679055152 /nfs/dbraw/zinc/05/51/52/679055152.db2.gz YNIDQPFDLSBRPE-LLVKDONJSA-N -1 0 322.413 -0.067 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccncn1 ZINC001003815732 679071315 /nfs/dbraw/zinc/07/13/15/679071315.db2.gz INWVTVRXUSFMEN-UHFFFAOYSA-N -1 0 303.326 -0.305 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3ncccn3)C2)c1[O-] ZINC001003820468 679071997 /nfs/dbraw/zinc/07/19/97/679071997.db2.gz WESFLKQNKFNMQG-UHFFFAOYSA-N -1 0 316.321 -0.284 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ncccn1 ZINC001003826834 679074698 /nfs/dbraw/zinc/07/46/98/679074698.db2.gz GNMIPRFVWNIAJD-UHFFFAOYSA-N -1 0 303.326 -0.305 20 0 DBADRM O=C(Cc1ncc[nH]1)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003847861 679077646 /nfs/dbraw/zinc/07/76/46/679077646.db2.gz ZMZYLEGUNOBGJT-UHFFFAOYSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1c(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001032915119 679078902 /nfs/dbraw/zinc/07/89/02/679078902.db2.gz LSEXJPWNQLQSEJ-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C(=O)c1cnns1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032937059 679082456 /nfs/dbraw/zinc/08/24/56/679082456.db2.gz AZGTWKWRQQVVDP-ZETCQYMHSA-N -1 0 309.355 -0.292 20 0 DBADRM CN(C(=O)C[C@@H]1CCOC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032967465 679089373 /nfs/dbraw/zinc/08/93/73/679089373.db2.gz MDGHTILVHWXZQN-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C(=O)c1cccc(=O)[nH]1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032974928 679091559 /nfs/dbraw/zinc/09/15/59/679091559.db2.gz ILMWNDUVNMVWLV-SECBINFHSA-N -1 0 318.337 -0.043 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN([C@H]3CCNC3=O)C2)c1[O-] ZINC001033008423 679097758 /nfs/dbraw/zinc/09/77/58/679097758.db2.gz FXXODKWVJGOEQG-ZJUUUORDSA-N -1 0 307.354 -0.541 20 0 DBADRM Cc1cc(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)ncn1 ZINC001033010706 679098514 /nfs/dbraw/zinc/09/85/14/679098514.db2.gz UZVZPWLAIUQTMJ-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM CNC(=O)[C@@H](C)N1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001033014477 679099582 /nfs/dbraw/zinc/09/95/82/679099582.db2.gz LIIALRFJYKLPPH-ZJUUUORDSA-N -1 0 309.370 -0.295 20 0 DBADRM C[C@H](C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001033018952 679100333 /nfs/dbraw/zinc/10/03/33/679100333.db2.gz CEFXMAMMWDFQJQ-NXEZZACHSA-N -1 0 320.357 -0.604 20 0 DBADRM CN(C(=O)c1cncnc1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033033798 679105553 /nfs/dbraw/zinc/10/55/53/679105553.db2.gz SDQREJMYLJTTHB-SNVBAGLBSA-N -1 0 303.326 -0.353 20 0 DBADRM Cc1c[nH]nc1C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033067951 679119226 /nfs/dbraw/zinc/11/92/26/679119226.db2.gz BGXZKNJAZSXVGZ-SECBINFHSA-N -1 0 305.342 -0.112 20 0 DBADRM C/C=C(/C)C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001295735794 805588149 /nfs/dbraw/zinc/58/81/49/805588149.db2.gz FUPWDMAZARMDSX-PTDYZRSTSA-N -1 0 321.337 -0.173 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000842313059 805589977 /nfs/dbraw/zinc/58/99/77/805589977.db2.gz LDJCVBYHEHKILZ-VHSXEESVSA-N -1 0 320.367 -0.731 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccn1 ZINC000842356233 805590653 /nfs/dbraw/zinc/59/06/53/805590653.db2.gz SIBIXZGQGHJNAQ-VIFPVBQESA-N -1 0 316.335 -0.142 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)CC1=O ZINC000842326812 805591044 /nfs/dbraw/zinc/59/10/44/805591044.db2.gz GAPJMJJWBKOIEC-WDEREUQCSA-N -1 0 318.395 -0.273 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc(OC)nc1 ZINC000842359832 805592606 /nfs/dbraw/zinc/59/26/06/805592606.db2.gz UWNOYQNLLQBAJN-UHFFFAOYSA-N -1 0 302.308 -0.287 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)C[C@@H]2CCC(=O)N2)ccc1[O-] ZINC001295841111 805594240 /nfs/dbraw/zinc/59/42/40/805594240.db2.gz SYJKYSXBVKHIDS-QMMMGPOBSA-N -1 0 313.335 -0.353 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)C2(O)CCOCC2)ccc1[O-] ZINC001295842537 805594281 /nfs/dbraw/zinc/59/42/81/805594281.db2.gz GZTONDZIHSHTRR-UHFFFAOYSA-N -1 0 316.335 -0.480 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)Cn2ccccc2=O)ccc1[O-] ZINC001295840801 805594299 /nfs/dbraw/zinc/59/42/99/805594299.db2.gz HNZNJRLHXPONFE-UHFFFAOYSA-N -1 0 323.330 -0.160 20 0 DBADRM Cc1cc(CNC(=O)[C@@H](C)C(=O)[O-])ccc1S(N)(=O)=O ZINC000842693801 805597313 /nfs/dbraw/zinc/59/73/13/805597313.db2.gz RVLMNKWIPIRBSU-MRVPVSSYSA-N -1 0 300.336 -0.021 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cnn2c1C[C@H](C)CC2 ZINC000842713762 805597370 /nfs/dbraw/zinc/59/73/70/805597370.db2.gz DGGLHDOXFJTNSN-MRVPVSSYSA-N -1 0 315.351 -0.302 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCc2ncncc2C1 ZINC000842714697 805597817 /nfs/dbraw/zinc/59/78/17/805597817.db2.gz SNFAQDDCURTNNS-QMMMGPOBSA-N -1 0 313.335 -0.800 20 0 DBADRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000842717131 805598132 /nfs/dbraw/zinc/59/81/32/805598132.db2.gz RLLBKPPWACDJLA-SECBINFHSA-N -1 0 312.413 -0.345 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000842713990 805598432 /nfs/dbraw/zinc/59/84/32/805598432.db2.gz GJBGLHWAKVNPKV-NSHDSACASA-N -1 0 318.395 -0.130 20 0 DBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)Cc3ccon3)(C1)C2 ZINC000842729271 805598487 /nfs/dbraw/zinc/59/84/87/805598487.db2.gz NXYGGOBWVSCQCL-UHFFFAOYSA-N -1 0 314.319 -0.036 20 0 DBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)C[C@H]3CCOC3)(C1)C2 ZINC000842746142 805599484 /nfs/dbraw/zinc/59/94/84/805599484.db2.gz BOHGGENRRQOLEP-ALXWSUNGSA-N -1 0 317.363 -0.188 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)C1 ZINC000842763742 805599816 /nfs/dbraw/zinc/59/98/16/805599816.db2.gz CEDIQHJYTPBFGR-HLTSFMKQSA-N -1 0 305.352 -0.001 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)[C@@H]1CCc2ncncc2C1 ZINC000842772239 805600654 /nfs/dbraw/zinc/60/06/54/805600654.db2.gz MLRJQVHRJOJPHE-MRVPVSSYSA-N -1 0 307.335 -0.190 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cc[n+]([O-])cc1 ZINC000842801222 805601575 /nfs/dbraw/zinc/60/15/75/805601575.db2.gz HPHWFXIKDKHGAO-UHFFFAOYSA-N -1 0 316.335 -0.421 20 0 DBADRM COC1(C(=O)[N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000842814970 805602782 /nfs/dbraw/zinc/60/27/82/805602782.db2.gz FFAFNVCEMMIDGI-UHFFFAOYSA-N -1 0 323.334 -0.354 20 0 DBADRM O=C([O-])c1cccnc1NCCS(=O)(=O)N1CCOCC1 ZINC000843034033 805607297 /nfs/dbraw/zinc/60/72/97/805607297.db2.gz BPMNZFMGALTSIV-UHFFFAOYSA-N -1 0 315.351 -0.146 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCCC2(C1)OCCO2 ZINC000843259546 805613582 /nfs/dbraw/zinc/61/35/82/805613582.db2.gz PCOWMZZTMRRLPC-UHFFFAOYSA-N -1 0 300.311 -0.667 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@]23CCOC3=O)C1 ZINC000843260414 805614674 /nfs/dbraw/zinc/61/46/74/805614674.db2.gz XEZBHMYNSCXBHF-FTGAXOIBSA-N -1 0 324.333 -0.336 20 0 DBADRM C[C@@H](NC(=O)COCC(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000843329480 805617739 /nfs/dbraw/zinc/61/77/39/805617739.db2.gz LBXLVDMNGZOORU-MRVPVSSYSA-N -1 0 316.335 -0.388 20 0 DBADRM CS(=O)(=O)Nc1cccc(CNC(=O)COCC(=O)[O-])c1 ZINC000843326264 805618204 /nfs/dbraw/zinc/61/82/04/805618204.db2.gz FQKDVQFYGDOZCW-UHFFFAOYSA-N -1 0 316.335 -0.225 20 0 DBADRM O=C([O-])COCC(=O)N1CNCN(CCc2ccccc2)C1 ZINC000843339385 805619344 /nfs/dbraw/zinc/61/93/44/805619344.db2.gz VJMDBITUOGAFHH-UHFFFAOYSA-N -1 0 307.350 -0.063 20 0 DBADRM C/C=C(\C)C(=O)NC[C@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001296413885 805634127 /nfs/dbraw/zinc/63/41/27/805634127.db2.gz RMYOXGIWUVIGOG-QZGLAHODSA-N -1 0 321.337 -0.030 20 0 DBADRM O=C(NC[C@H]1CCCCN1C(=O)C(F)(F)F)c1cc(=O)[nH][n-]1 ZINC000844056266 805643959 /nfs/dbraw/zinc/64/39/59/805643959.db2.gz ISXNCXBZEAXOJZ-SSDOTTSWSA-N -1 0 320.271 -0.078 20 0 DBADRM CC[C@@H](CNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000844157506 805649717 /nfs/dbraw/zinc/64/97/17/805649717.db2.gz CRLRWLOKOXFSHN-UDIARPCQSA-N -1 0 309.322 -0.676 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC000844208743 805653434 /nfs/dbraw/zinc/65/34/34/805653434.db2.gz LZGAZEAXUIFMSB-QMMMGPOBSA-N -1 0 300.340 -0.320 20 0 DBADRM O=C([O-])C(=O)N1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000844243152 805653924 /nfs/dbraw/zinc/65/39/24/805653924.db2.gz YGGOFYZXMCMLEF-UHFFFAOYSA-N -1 0 315.333 -0.004 20 0 DBADRM NC(=O)[C@H](CNC(=O)COCC(=O)[O-])Cc1ccc(F)cc1 ZINC000844244180 805654112 /nfs/dbraw/zinc/65/41/12/805654112.db2.gz DQRJSPPYNGIIAI-JTQLQIEISA-N -1 0 312.297 -0.313 20 0 DBADRM O=C([O-])COCC(=O)NC[C@H](O)COc1cccc(F)c1 ZINC000844251291 805654995 /nfs/dbraw/zinc/65/49/95/805654995.db2.gz HGPVGTUOLJYVIM-JTQLQIEISA-N -1 0 301.270 -0.217 20 0 DBADRM C[C@]1(c2ccc(NC(=O)COCC(=O)[O-])cc2)NC(=O)NC1=O ZINC000844247968 805655356 /nfs/dbraw/zinc/65/53/56/805655356.db2.gz ZKXSHNHRROSQJB-CQSZACIVSA-N -1 0 321.289 -0.219 20 0 DBADRM CNS(=O)(=O)c1cccc(CNC(=O)COCC(=O)[O-])c1 ZINC000844247221 805655622 /nfs/dbraw/zinc/65/56/22/805655622.db2.gz GBIYDMLPQORDTN-UHFFFAOYSA-N -1 0 316.335 -0.688 20 0 DBADRM O=C([O-])COCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000844248025 805655670 /nfs/dbraw/zinc/65/56/70/805655670.db2.gz ABVXRRDMEFVYPN-LLVKDONJSA-N -1 0 314.338 -0.815 20 0 DBADRM CCO[C@@H]1C[C@](NC(=O)COCC(=O)[O-])(C(=O)OC)C1(C)C ZINC000844255089 805656726 /nfs/dbraw/zinc/65/67/26/805656726.db2.gz LABWENSFSGISPM-OTYXRUKQSA-N -1 0 317.338 -0.049 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000844525875 805662288 /nfs/dbraw/zinc/66/22/88/805662288.db2.gz PJQRXQIKCFFBRT-UHFFFAOYSA-N -1 0 312.330 -0.840 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000844799770 805673099 /nfs/dbraw/zinc/67/30/99/805673099.db2.gz UHQMBABDYLRLRW-LLVKDONJSA-N -1 0 320.392 -0.155 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N(C)C2CCOCC2)C[C@H](C(=O)[O-])O1 ZINC000844824145 805673522 /nfs/dbraw/zinc/67/35/22/805673522.db2.gz AMAGBRWXGKIHHS-MWLCHTKSSA-N -1 0 322.383 -0.484 20 0 DBADRM Cn1nncc1CNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000844889642 805674530 /nfs/dbraw/zinc/67/45/30/805674530.db2.gz UOCCSXUREKCMOG-UHFFFAOYSA-N -1 0 310.335 -0.079 20 0 DBADRM Cn1cc(C(=O)COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)nn1 ZINC000845151968 805684447 /nfs/dbraw/zinc/68/44/47/805684447.db2.gz GLTLTQYPISUGAK-UHFFFAOYSA-N -1 0 322.243 -0.002 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(C(=O)/C=C/C2CC2)C1 ZINC001297242429 805691348 /nfs/dbraw/zinc/69/13/48/805691348.db2.gz VZVWDJJMGSUNRT-ONEGZZNKSA-N -1 0 321.337 -0.770 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCCCC1 ZINC000845467841 805705141 /nfs/dbraw/zinc/70/51/41/805705141.db2.gz JNHQGLODZWDIDR-UHFFFAOYSA-N -1 0 317.371 -0.575 20 0 DBADRM C[C@H](COCC(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1 ZINC000845509857 805708445 /nfs/dbraw/zinc/70/84/45/805708445.db2.gz ABUVMRCTVKQZFD-SNVBAGLBSA-N -1 0 314.363 -0.262 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@@H](OC)C(F)(F)F ZINC000845512956 805708508 /nfs/dbraw/zinc/70/85/08/805708508.db2.gz HNSJFEMVEUADSC-NTSWFWBYSA-N -1 0 321.273 -0.039 20 0 DBADRM CCn1ccc(CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)n1 ZINC000845514672 805708730 /nfs/dbraw/zinc/70/87/30/805708730.db2.gz VEGKUFGMQANXHJ-MRVPVSSYSA-N -1 0 303.340 -0.547 20 0 DBADRM C[C@@H]1CCCc2ncc(C(=O)[N-]S(=O)(=O)CC(N)=O)n21 ZINC000845510468 805708770 /nfs/dbraw/zinc/70/87/70/805708770.db2.gz FINCUSMYFOWZJF-SSDOTTSWSA-N -1 0 300.340 -0.675 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCC[C@H]1COC(=O)NC ZINC000845532716 805709348 /nfs/dbraw/zinc/70/93/48/805709348.db2.gz NVCHZELCWVBBOK-JTQLQIEISA-N -1 0 316.358 -0.026 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000845532280 805709553 /nfs/dbraw/zinc/70/95/53/805709553.db2.gz JGYKEFAJEGZRFU-LBPRGKRZSA-N -1 0 314.386 -0.440 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000845532096 805709840 /nfs/dbraw/zinc/70/98/40/805709840.db2.gz IMGPAJHYIVVYKT-QMMMGPOBSA-N -1 0 307.372 -0.681 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@H](CN2CCOC2=O)C1 ZINC000845532875 805709848 /nfs/dbraw/zinc/70/98/48/805709848.db2.gz SVHNZQLJIUKDGW-JTQLQIEISA-N -1 0 314.342 -0.462 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1COc2ccccc2[C@H]1O ZINC000845531097 805710070 /nfs/dbraw/zinc/71/00/70/805710070.db2.gz AWPPCKIKBKHBEM-GXFFZTMASA-N -1 0 309.322 -0.152 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(Cn2ccnn2)CC1 ZINC000845542532 805713013 /nfs/dbraw/zinc/71/30/13/805713013.db2.gz ZGRBAQUOXRJPMM-UHFFFAOYSA-N -1 0 310.358 -0.233 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@@H](C)S(=O)(=O)[C@H](CC)C1 ZINC000845533701 805710524 /nfs/dbraw/zinc/71/05/24/805710524.db2.gz ZNLXJWDBTVCEFD-NXEZZACHSA-N -1 0 321.399 -0.339 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000845535869 805710626 /nfs/dbraw/zinc/71/06/26/805710626.db2.gz UMRKWUDBMXVGMU-VXGBXAGGSA-N -1 0 314.386 -0.441 20 0 DBADRM CCCN1C[C@H](CNC(=O)NCC(=O)[N-]OCC)CC1=O ZINC000845534249 805710702 /nfs/dbraw/zinc/71/07/02/805710702.db2.gz KNTVNIFKEHJCLB-JTQLQIEISA-N -1 0 300.359 -0.388 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCn2c(CC3CC3)nnc2C1 ZINC000845534682 805710892 /nfs/dbraw/zinc/71/08/92/805710892.db2.gz IMPDTCSJUQFOCP-UHFFFAOYSA-N -1 0 322.369 -0.177 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000845533737 805710903 /nfs/dbraw/zinc/71/09/03/805710903.db2.gz AGNSNCSBTNBKFJ-MFKMUULPSA-N -1 0 301.343 -0.357 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000845540545 805713116 /nfs/dbraw/zinc/71/31/16/805713116.db2.gz IKTRGDBYANSTRJ-UHFFFAOYSA-N -1 0 309.388 -0.481 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000845543820 805713182 /nfs/dbraw/zinc/71/31/82/805713182.db2.gz LOSCZIRGKCICFP-VIFPVBQESA-N -1 0 300.359 -0.247 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)Cc1nnc2ccccn21 ZINC000845545024 805713224 /nfs/dbraw/zinc/71/32/24/805713224.db2.gz GXALLOCECRMWGK-UHFFFAOYSA-N -1 0 306.326 -0.062 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000845543818 805713327 /nfs/dbraw/zinc/71/33/27/805713327.db2.gz LOSCZIRGKCICFP-SECBINFHSA-N -1 0 300.359 -0.247 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(N2CCCC2=O)CC1 ZINC000845547345 805714178 /nfs/dbraw/zinc/71/41/78/805714178.db2.gz MOCMEXLPSZBEQB-UHFFFAOYSA-N -1 0 312.370 -0.150 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000845545300 805714772 /nfs/dbraw/zinc/71/47/72/805714772.db2.gz PNNRSGSHOHBODF-VHSXEESVSA-N -1 0 321.399 -0.291 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCc1nnc2n1CCCCC2 ZINC000845553196 805715260 /nfs/dbraw/zinc/71/52/60/805715260.db2.gz SMOHUKLLRAWGNK-UHFFFAOYSA-N -1 0 324.385 -0.086 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC(=O)NCc1ccccc1 ZINC000845552203 805715554 /nfs/dbraw/zinc/71/55/54/805715554.db2.gz IVQSHTZDKIBZHS-UHFFFAOYSA-N -1 0 308.338 -0.330 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCCN(C(=O)OC)C1 ZINC000845549566 805715969 /nfs/dbraw/zinc/71/59/69/805715969.db2.gz XUQGXTOQLAPMKU-VIFPVBQESA-N -1 0 302.331 -0.416 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000845573755 805719709 /nfs/dbraw/zinc/71/97/09/805719709.db2.gz CJXQPJVSOAITKS-UHFFFAOYSA-N -1 0 316.383 -0.304 20 0 DBADRM CCn1ccc(CC(=O)[N-]S(=O)(=O)c2c(C)onc2N)n1 ZINC000845556315 805716440 /nfs/dbraw/zinc/71/64/40/805716440.db2.gz VYHUFAKABAHVRJ-UHFFFAOYSA-N -1 0 313.339 -0.171 20 0 DBADRM COC/C(C)=C\C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000845575687 805720157 /nfs/dbraw/zinc/72/01/57/805720157.db2.gz QDJXCZUXYLCULD-NTMALXAHSA-N -1 0 319.383 -0.896 20 0 DBADRM CCn1ccc(CC(=O)[N-]S(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000845599595 805721308 /nfs/dbraw/zinc/72/13/08/805721308.db2.gz ZVMSQHIVCIUAIL-UHFFFAOYSA-N -1 0 311.367 -0.007 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)c1 ZINC000845880502 805730687 /nfs/dbraw/zinc/73/06/87/805730687.db2.gz PTZAWCBEMQVEAS-QMMMGPOBSA-N -1 0 319.291 -0.714 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)CC1(OC)CCOCC1 ZINC000845947024 805735426 /nfs/dbraw/zinc/73/54/26/805735426.db2.gz JLRZWNVHFPBABH-UHFFFAOYSA-N -1 0 310.372 -0.879 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)[N-]OCCC(F)(F)F ZINC000845962638 805737664 /nfs/dbraw/zinc/73/76/64/805737664.db2.gz ZHNXJJNCDPPKLI-UHFFFAOYSA-N -1 0 307.294 -0.275 20 0 DBADRM CSc1cccnc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000846000716 805738555 /nfs/dbraw/zinc/73/85/55/805738555.db2.gz UBISSZQHSDLVJC-UHFFFAOYSA-N -1 0 317.392 -0.001 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cnccc1OCC ZINC000846002921 805739731 /nfs/dbraw/zinc/73/97/31/805739731.db2.gz OWAIQJRPJUCNCD-UHFFFAOYSA-N -1 0 303.340 -0.174 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000846002905 805739887 /nfs/dbraw/zinc/73/98/87/805739887.db2.gz UAJZQCXIIVRXAF-UHFFFAOYSA-N -1 0 315.351 -0.608 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cccc2c1COC2=O ZINC000846003185 805739915 /nfs/dbraw/zinc/73/99/15/805739915.db2.gz YOMDEDCGRCGYBI-UHFFFAOYSA-N -1 0 314.319 -0.297 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)o1 ZINC000846003977 805740133 /nfs/dbraw/zinc/74/01/33/805740133.db2.gz WVWYYCDJVAPGSX-UHFFFAOYSA-N -1 0 320.323 -0.198 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)CC1(CC(=O)OC)CC1 ZINC000846003852 805740206 /nfs/dbraw/zinc/74/02/06/805740206.db2.gz RDPPTFOWHUHFRA-UHFFFAOYSA-N -1 0 308.356 -0.683 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1c[nH]c(C(=O)OC)c1 ZINC000846003865 805740336 /nfs/dbraw/zinc/74/03/36/805740336.db2.gz RXWRMHKDVQOYOL-UHFFFAOYSA-N -1 0 305.312 -0.853 20 0 DBADRM CSCCO[N-]C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 ZINC000846054180 805742321 /nfs/dbraw/zinc/74/23/21/805742321.db2.gz FYFBWKOIEURGRE-VIFPVBQESA-N -1 0 317.342 -0.278 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccccc1COC ZINC000846129401 805744362 /nfs/dbraw/zinc/74/43/62/805744362.db2.gz ACRNYNYEVVNXMY-UHFFFAOYSA-N -1 0 309.322 -0.045 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(COC)c1 ZINC000846131862 805744870 /nfs/dbraw/zinc/74/48/70/805744870.db2.gz ZCYIDRTUJWJVPO-UHFFFAOYSA-N -1 0 309.322 -0.045 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(OC)ccc1F ZINC000846133327 805744972 /nfs/dbraw/zinc/74/49/72/805744972.db2.gz PKTJTCQYVXVHCY-UHFFFAOYSA-N -1 0 313.285 -0.043 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(OC)c(F)c1 ZINC000846131928 805744983 /nfs/dbraw/zinc/74/49/83/805744983.db2.gz ZWAGDHOPSKFQKE-UHFFFAOYSA-N -1 0 313.285 -0.043 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ncc(CC)s1 ZINC000846132781 805745126 /nfs/dbraw/zinc/74/51/26/805745126.db2.gz CPOJMBADLZKOEN-UHFFFAOYSA-N -1 0 300.340 -0.172 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(SC)nc1 ZINC000846132030 805745513 /nfs/dbraw/zinc/74/55/13/805745513.db2.gz WONSPAUUOXQVCR-UHFFFAOYSA-N -1 0 312.351 -0.074 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C ZINC000846491474 805756820 /nfs/dbraw/zinc/75/68/20/805756820.db2.gz RQPVASUTCDZTPY-VIFPVBQESA-N -1 0 308.342 -0.253 20 0 DBADRM CCO[N-]C(=O)CNC(=O)COCCNC(=O)c1ccccc1 ZINC000846493265 805757042 /nfs/dbraw/zinc/75/70/42/805757042.db2.gz SXUXFZMAJKIZAS-UHFFFAOYSA-N -1 0 323.349 -0.383 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000846493443 805757064 /nfs/dbraw/zinc/75/70/64/805757064.db2.gz ZXMSMKQHESSRFM-UHFFFAOYSA-N -1 0 306.326 -0.382 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000846493085 805757077 /nfs/dbraw/zinc/75/70/77/805757077.db2.gz MUMAGNBGAMKQNG-UHFFFAOYSA-N -1 0 319.321 -0.632 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cc(Br)nn1C ZINC000846491827 805757180 /nfs/dbraw/zinc/75/71/80/805757180.db2.gz VCIJDLXRNYPMDM-UHFFFAOYSA-N -1 0 305.132 -0.020 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cnn(C)c1Br ZINC000846492843 805757245 /nfs/dbraw/zinc/75/72/45/805757245.db2.gz FEOKEGVMPWFQOJ-UHFFFAOYSA-N -1 0 305.132 -0.020 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H](C(C)C)N1CCCS1(=O)=O ZINC000846493856 805757849 /nfs/dbraw/zinc/75/78/49/805757849.db2.gz ICGSSHUGWCCCKL-NSHDSACASA-N -1 0 321.399 -0.770 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cnc2sc(C)cn2c1=O ZINC000846494112 805758093 /nfs/dbraw/zinc/75/80/93/805758093.db2.gz ODBYKVNLQMWUHU-UHFFFAOYSA-N -1 0 310.335 -0.138 20 0 DBADRM CCCC1N=NC(=S)N1CC(=O)NCC(=O)[N-]OCC ZINC000846495764 805758239 /nfs/dbraw/zinc/75/82/39/805758239.db2.gz DRDQMUTYBGLWCH-UHFFFAOYSA-N -1 0 301.372 -0.297 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000846496442 805758254 /nfs/dbraw/zinc/75/82/54/805758254.db2.gz LCZLQCAQSAIJPT-SNVBAGLBSA-N -1 0 309.322 -0.188 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000846496441 805758339 /nfs/dbraw/zinc/75/83/39/805758339.db2.gz LCZLQCAQSAIJPT-JTQLQIEISA-N -1 0 309.322 -0.188 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(N2CCOCC2)nc1 ZINC000846499438 805759070 /nfs/dbraw/zinc/75/90/70/805759070.db2.gz QNYHHNRIBFRFIG-UHFFFAOYSA-N -1 0 308.338 -0.284 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccccc1OCC(=O)N(C)C ZINC000846499465 805759329 /nfs/dbraw/zinc/75/93/29/805759329.db2.gz QZQMMZINPAVSPK-UHFFFAOYSA-N -1 0 323.349 -0.049 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000846499057 805759411 /nfs/dbraw/zinc/75/94/11/805759411.db2.gz KLNUEJHBRSWUHS-AOOOYVTPSA-N -1 0 311.338 -0.655 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000846498220 805759425 /nfs/dbraw/zinc/75/94/25/805759425.db2.gz MWBQWIJPLWPWJH-UHFFFAOYSA-N -1 0 321.380 -0.499 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H](CCSC)NC(=O)CC ZINC000846498446 805759537 /nfs/dbraw/zinc/75/95/37/805759537.db2.gz XMVDZXGTGYIWDJ-VIFPVBQESA-N -1 0 305.400 -0.182 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000846713498 805772664 /nfs/dbraw/zinc/77/26/64/805772664.db2.gz GLDRIUDCAGVGEN-JYESYGNLSA-N -1 0 309.322 -0.581 20 0 DBADRM CC(C)(C)n1nnc(CNC(=O)N2CCOC[C@@H]2C(=O)[O-])n1 ZINC000846790960 805776061 /nfs/dbraw/zinc/77/60/61/805776061.db2.gz ATOXIINPCAEKMC-MRVPVSSYSA-N -1 0 312.330 -0.577 20 0 DBADRM O=C(c1cccc2[nH]c(=O)[nH]c21)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000847473382 805801477 /nfs/dbraw/zinc/80/14/77/805801477.db2.gz SXOYWIURFAZJBC-VIFPVBQESA-N -1 0 315.293 -0.005 20 0 DBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)Cc2ccccc2)c(=O)n1C ZINC000847619562 805809792 /nfs/dbraw/zinc/80/97/92/805809792.db2.gz GVPRVRXYECHXQS-UHFFFAOYSA-N -1 0 324.362 -0.464 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)NC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001298490136 805810009 /nfs/dbraw/zinc/81/00/09/805810009.db2.gz GIUUOJNBGPABAY-HLKOZVMDSA-N -1 0 323.353 -0.476 20 0 DBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cn1 ZINC000847681143 805812046 /nfs/dbraw/zinc/81/20/46/805812046.db2.gz VVFWSKHRGMUORU-QMMMGPOBSA-N -1 0 310.339 -0.085 20 0 DBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)CC(C)(C)C)c(=O)n1C ZINC000847645217 805810655 /nfs/dbraw/zinc/81/06/55/805810655.db2.gz UQEZABCXLUYYDJ-UHFFFAOYSA-N -1 0 304.372 -0.618 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc(N(C)C)cn1 ZINC000847648249 805811060 /nfs/dbraw/zinc/81/10/60/805811060.db2.gz RXEITSRATNIPSY-QMMMGPOBSA-N -1 0 302.356 -0.363 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cnc(N(C)C)cn1 ZINC000847642585 805811208 /nfs/dbraw/zinc/81/12/08/805811208.db2.gz SWPLBRHYUIDYDZ-UHFFFAOYSA-N -1 0 301.372 -0.143 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cnc(N(C)C)cn1 ZINC000847717589 805813517 /nfs/dbraw/zinc/81/35/17/805813517.db2.gz OFBZXAMFGJWCGG-UHFFFAOYSA-N -1 0 324.366 -0.297 20 0 DBADRM CC1(OCC(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CCC1 ZINC000847995911 805818705 /nfs/dbraw/zinc/81/87/05/805818705.db2.gz IFAGWEJVFMINBH-UHFFFAOYSA-N -1 0 317.323 -0.462 20 0 DBADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)cn1 ZINC000847844308 805816599 /nfs/dbraw/zinc/81/65/99/805816599.db2.gz LLATZLSDXTYMTB-ARJAWSKDSA-N -1 0 309.351 -0.187 20 0 DBADRM COC(=O)C[C@@H](C)CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000847886973 805816961 /nfs/dbraw/zinc/81/69/61/805816961.db2.gz VLUNPOVFKLILEZ-QMMMGPOBSA-N -1 0 308.356 -0.842 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1cnccc1Cl ZINC000847886383 805817398 /nfs/dbraw/zinc/81/73/98/805817398.db2.gz COBAITYQSQDBHS-UHFFFAOYSA-N -1 0 319.770 -0.140 20 0 DBADRM CC(C)(C)n1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC000847886997 805817765 /nfs/dbraw/zinc/81/77/65/805817765.db2.gz WQPBQRTVQVFEOG-UHFFFAOYSA-N -1 0 316.383 -0.166 20 0 DBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCS2)on1 ZINC000847995514 805819080 /nfs/dbraw/zinc/81/90/80/805819080.db2.gz FUXCFJWKZSRZFO-SSDOTTSWSA-N -1 0 319.364 -0.136 20 0 DBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CCCOC1 ZINC000847996349 805819144 /nfs/dbraw/zinc/81/91/44/805819144.db2.gz KKRCENWAZFMBIG-LLVKDONJSA-N -1 0 317.323 -0.605 20 0 DBADRM CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996391 805819294 /nfs/dbraw/zinc/81/92/94/805819294.db2.gz KVQWUZWGGVOETO-RXMQYKEDSA-N -1 0 307.353 -0.423 20 0 DBADRM CCOC1CC(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)C1 ZINC000847998129 805819494 /nfs/dbraw/zinc/81/94/94/805819494.db2.gz LUDVZYKGASBOAL-UHFFFAOYSA-N -1 0 317.323 -0.607 20 0 DBADRM COC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998513 805819516 /nfs/dbraw/zinc/81/95/16/805819516.db2.gz YWSQGGBRPQMKNG-UHFFFAOYSA-N -1 0 305.312 -0.607 20 0 DBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)CSC2CC2)on1 ZINC000847998134 805819720 /nfs/dbraw/zinc/81/97/20/805819720.db2.gz MGPPZASYLVDFBX-UHFFFAOYSA-N -1 0 305.337 -0.526 20 0 DBADRM CSC1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CCC1 ZINC000847998141 805819910 /nfs/dbraw/zinc/81/99/10/805819910.db2.gz MXEHEQWUPVJXEK-UHFFFAOYSA-N -1 0 319.364 -0.136 20 0 DBADRM CN1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1(C)C ZINC000848033880 805821870 /nfs/dbraw/zinc/82/18/70/805821870.db2.gz RHOWUWRPTCJFCE-UHFFFAOYSA-N -1 0 304.354 -0.376 20 0 DBADRM NC(=O)[C@@]1(NC(=O)c2n[n-]c3ccccc3c2=O)CCOC1 ZINC000848317496 805833443 /nfs/dbraw/zinc/83/34/43/805833443.db2.gz FATLMKDTTJJZMV-CQSZACIVSA-N -1 0 302.290 -0.290 20 0 DBADRM NC(=O)[C@]1(NC(=O)CSc2n[n-]c(=S)s2)CCOC1 ZINC000848318438 805835058 /nfs/dbraw/zinc/83/50/58/805835058.db2.gz RKTSZEGCQXHGKK-VIFPVBQESA-N -1 0 320.421 -0.321 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])[C@H]1C ZINC000848608514 805842218 /nfs/dbraw/zinc/84/22/18/805842218.db2.gz ADMMAUQKZWWLCY-XHNCKOQMSA-N -1 0 300.311 -0.767 20 0 DBADRM CC(C)[C@H](CNN(C)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000848600891 805842319 /nfs/dbraw/zinc/84/23/19/805842319.db2.gz LLVHLTIQUARSQP-NSHDSACASA-N -1 0 307.416 -0.185 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC2(C1)OCCO2)C(=O)[O-] ZINC000848612513 805842820 /nfs/dbraw/zinc/84/28/20/805842820.db2.gz PVAKHTZMWPESHQ-SNVBAGLBSA-N -1 0 314.338 -0.565 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1COC(C)(C)O1)C(=O)[O-] ZINC000848610854 805842886 /nfs/dbraw/zinc/84/28/86/805842886.db2.gz NSYPMIVCOFFJNJ-ZJUUUORDSA-N -1 0 316.354 -0.273 20 0 DBADRM C[C@H](CNC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1)C(=O)[O-] ZINC000848609834 805843147 /nfs/dbraw/zinc/84/31/47/805843147.db2.gz HRTVVHKBPSTSQK-NXEZZACHSA-N -1 0 314.338 -0.375 20 0 DBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000848612222 805843225 /nfs/dbraw/zinc/84/32/25/805843225.db2.gz YDDAESPSKWIDSE-BDAKNGLRSA-N -1 0 315.326 -0.830 20 0 DBADRM CCOC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000848612226 805843331 /nfs/dbraw/zinc/84/33/31/805843331.db2.gz YDDAESPSKWIDSE-RKDXNWHRSA-N -1 0 315.326 -0.830 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NC[C@H]1COC2(CCCC2)O1)C(=O)[O-] ZINC000848609837 805843353 /nfs/dbraw/zinc/84/33/53/805843353.db2.gz HRTVVHKBPSTSQK-UWVGGRQHSA-N -1 0 314.338 -0.375 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])ccc1F ZINC000849221450 805859926 /nfs/dbraw/zinc/85/99/26/805859926.db2.gz PFRDYLOJOUCDSL-SECBINFHSA-N -1 0 321.282 -0.664 20 0 DBADRM O=C([O-])[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]nc2Cl)C1 ZINC000849218651 805860368 /nfs/dbraw/zinc/86/03/68/805860368.db2.gz DWBOWDCHQXGJGP-SVRRBLITSA-N -1 0 323.758 -0.091 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000849331707 805863192 /nfs/dbraw/zinc/86/31/92/805863192.db2.gz BEARWSAYOGLRAL-UHFFFAOYSA-N -1 0 304.368 -0.109 20 0 DBADRM CS(=O)(=O)CCOCCNS(=O)(=O)c1ccccc1[O-] ZINC000849376939 805865293 /nfs/dbraw/zinc/86/52/93/805865293.db2.gz ALKOJWCIKFYVPQ-UHFFFAOYSA-N -1 0 323.392 -0.268 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC000849401437 805870063 /nfs/dbraw/zinc/87/00/63/805870063.db2.gz XTMFHYQOJZIYFJ-UWVGGRQHSA-N -1 0 310.372 -0.975 20 0 DBADRM CC(C)=CC(=O)N[C@@]1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001299502741 805888058 /nfs/dbraw/zinc/88/80/58/805888058.db2.gz NLMGAFCDCQQHNB-AWEZNQCLSA-N -1 0 323.353 -0.237 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)[N-]S(=O)(=O)N1CCCC1 ZINC000850788189 805902046 /nfs/dbraw/zinc/90/20/46/805902046.db2.gz PCYYOICYZFXSPM-UHFFFAOYSA-N -1 0 316.383 -0.657 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cccnc1)[C@@H]1CCOC1 ZINC000850737599 805902187 /nfs/dbraw/zinc/90/21/87/805902187.db2.gz RBAFQASQZSFVAJ-MWLCHTKSSA-N -1 0 300.336 -0.062 20 0 DBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)N2CCCC2)n1 ZINC000850789704 805902434 /nfs/dbraw/zinc/90/24/34/805902434.db2.gz SSEVFEFTLAMFBW-UHFFFAOYSA-N -1 0 302.360 -0.502 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc2n1CCOC2 ZINC000850844171 805904370 /nfs/dbraw/zinc/90/43/70/805904370.db2.gz VNZIZIXYNGEFDJ-MRVPVSSYSA-N -1 0 303.340 -0.492 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)n1 ZINC000850844202 805904412 /nfs/dbraw/zinc/90/44/12/805904412.db2.gz WFFDUMRMYSMKAB-QMMMGPOBSA-N -1 0 317.371 -0.795 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cnc2n1CCC2 ZINC000850841767 805904438 /nfs/dbraw/zinc/90/44/38/805904438.db2.gz PHQNDVMPXFHFIT-UHFFFAOYSA-N -1 0 315.351 -0.158 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)[N-]S(=O)(=O)CC1CC1 ZINC000850838728 805904705 /nfs/dbraw/zinc/90/47/05/805904705.db2.gz IAVGLOMHNJUZSK-UHFFFAOYSA-N -1 0 301.368 -0.258 20 0 DBADRM O=C([N-]S(=O)(=O)CC1CC1)C1(n2cnnn2)CCOCC1 ZINC000850840149 805904831 /nfs/dbraw/zinc/90/48/31/805904831.db2.gz KEYSMDRIPPEBBN-UHFFFAOYSA-N -1 0 315.355 -0.965 20 0 DBADRM CC(=O)Nc1cnccc1C(=O)[N-]N1C(=O)[C@H](C)N(C)C1=O ZINC001301136533 805905426 /nfs/dbraw/zinc/90/54/26/805905426.db2.gz WOSMPEWJGCXKJZ-ZETCQYMHSA-N -1 0 305.294 -0.033 20 0 DBADRM C[C@@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)[C@@H]1CCCO1 ZINC000850862809 805905489 /nfs/dbraw/zinc/90/54/89/805905489.db2.gz WIBHNGCNQNCOPR-QWRGUYRKSA-N -1 0 306.384 -0.115 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NOCCN1CCCC1=O ZINC001301634613 805906449 /nfs/dbraw/zinc/90/64/49/805906449.db2.gz CLGXREZSDUSTTN-UHFFFAOYSA-N -1 0 310.310 -0.591 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccnn1C(F)F ZINC000850887766 805906682 /nfs/dbraw/zinc/90/66/82/805906682.db2.gz ALMAOKMUOADUEL-UHFFFAOYSA-N -1 0 312.298 -0.169 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000850888865 805906780 /nfs/dbraw/zinc/90/67/80/805906780.db2.gz OOLIDDDMTXBPAV-BXKDBHETSA-N -1 0 306.384 -0.259 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000850887511 805906847 /nfs/dbraw/zinc/90/68/47/805906847.db2.gz FCBFIVIBRJNSPX-UHFFFAOYSA-N -1 0 304.376 -0.256 20 0 DBADRM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)[C@H]1CCCNC1=O ZINC001301648270 805907025 /nfs/dbraw/zinc/90/70/25/805907025.db2.gz AHJZUVKJHKZADA-WDEREUQCSA-N -1 0 300.322 -0.069 20 0 DBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000850972566 805909664 /nfs/dbraw/zinc/90/96/64/805909664.db2.gz YJWUJUNLSFDDQN-LLVKDONJSA-N -1 0 317.367 -0.241 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1cnc2n1CCOC2 ZINC000850935546 805907980 /nfs/dbraw/zinc/90/79/80/805907980.db2.gz JKYLITPNAUALSU-VIFPVBQESA-N -1 0 315.351 -0.348 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCc1cccnc1Cl ZINC000850940544 805908097 /nfs/dbraw/zinc/90/80/97/805908097.db2.gz NACNIASTTJUKMF-UHFFFAOYSA-N -1 0 305.743 -0.401 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CC[C@@H]1CC1(Cl)Cl ZINC000850941116 805908335 /nfs/dbraw/zinc/90/83/35/805908335.db2.gz WKSUBIBABUDKFZ-RXMQYKEDSA-N -1 0 303.167 -0.108 20 0 DBADRM Cc1nc2c(nccc2C(=O)N2CCOC[C@@H]2c2nnn[n-]2)[nH]1 ZINC001302136876 805908730 /nfs/dbraw/zinc/90/87/30/805908730.db2.gz GXZGEMHKSWMMBV-SECBINFHSA-N -1 0 314.309 -0.007 20 0 DBADRM O=C(Cn1cnnn1)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001302343749 805909109 /nfs/dbraw/zinc/90/91/09/805909109.db2.gz QROMGLVPJJGAHC-SNVBAGLBSA-N -1 0 314.309 -0.403 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1ccn2nnnc2c1 ZINC000850952609 805909229 /nfs/dbraw/zinc/90/92/29/805909229.db2.gz QHEHXWYKLWVIJC-UHFFFAOYSA-N -1 0 313.339 -0.390 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850959696 805909541 /nfs/dbraw/zinc/90/95/41/805909541.db2.gz YKSUKLPHBXTJGE-SQXHDICFSA-N -1 0 305.352 -0.478 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@]12C[C@H]1COC2(C)C ZINC000851021588 805910294 /nfs/dbraw/zinc/91/02/94/805910294.db2.gz KISZYFOCZDMABN-UFBFGSQYSA-N -1 0 305.352 -0.189 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000851036291 805911495 /nfs/dbraw/zinc/91/14/95/805911495.db2.gz GNAZEGPJRSMIGN-ZJUUUORDSA-N -1 0 307.368 -0.337 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)c1 ZINC000851107748 805913396 /nfs/dbraw/zinc/91/33/96/805913396.db2.gz AFSJQECRESIEBF-MBTKJCJQSA-N -1 0 315.303 -0.237 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)NC2(c3nnn[n-]3)CCC2)C1=O ZINC001303221816 805914038 /nfs/dbraw/zinc/91/40/38/805914038.db2.gz KWPUACODGXINJO-UHFFFAOYSA-N -1 0 318.337 -0.210 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)c1cccc(-n2cnnn2)c1 ZINC001303222748 805914123 /nfs/dbraw/zinc/91/41/23/805914123.db2.gz XFMWOEVEIBEUIN-UHFFFAOYSA-N -1 0 311.309 -0.015 20 0 DBADRM Cn1nnc2c1nccc2C(=O)[N-]S(=O)(=O)CC(F)F ZINC000851363689 805915427 /nfs/dbraw/zinc/91/54/27/805915427.db2.gz RWEVOKWUACYECT-UHFFFAOYSA-N -1 0 305.266 -0.312 20 0 DBADRM COc1cc(CS(=O)(=O)[N-]C(=O)CC2OCCO2)sn1 ZINC000851436775 805916600 /nfs/dbraw/zinc/91/66/00/805916600.db2.gz OYGZVLKRJNXVTC-UHFFFAOYSA-N -1 0 322.364 -0.139 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)COc1cc(C)on1 ZINC000851498632 805917825 /nfs/dbraw/zinc/91/78/25/805917825.db2.gz AVRCIJFLYMEGBW-UHFFFAOYSA-N -1 0 322.339 -0.531 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H](C)c1ccnn1C ZINC000851503229 805918739 /nfs/dbraw/zinc/91/87/39/805918739.db2.gz ARBHZAWWWOSDHM-VIFPVBQESA-N -1 0 319.383 -0.369 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1O[C@@H](C)C[C@H]1C ZINC000851502090 805918808 /nfs/dbraw/zinc/91/88/08/805918808.db2.gz MGRCMJHCXQIXIQ-WCABBAIRSA-N -1 0 309.384 -0.093 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@]12CCOC2 ZINC000851503368 805918943 /nfs/dbraw/zinc/91/89/43/805918943.db2.gz WVJSWFXELTWEGT-JQWIXIFHSA-N -1 0 307.368 -0.480 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1coc(C(N)=O)c1 ZINC000851501985 805918946 /nfs/dbraw/zinc/91/89/46/805918946.db2.gz GKZMNXNVSSMOLI-UHFFFAOYSA-N -1 0 320.323 -0.901 20 0 DBADRM COCc1nc(C(=O)[N-]S(=O)(=O)C(COC)COC)co1 ZINC000851501566 805918953 /nfs/dbraw/zinc/91/89/53/805918953.db2.gz AMDUWAKQLUVYFI-UHFFFAOYSA-N -1 0 322.339 -0.458 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)/C=C/[C@@H]1CCCO1 ZINC000851503859 805919385 /nfs/dbraw/zinc/91/93/85/805919385.db2.gz MWDKOKMJPJNSNH-PORFMDCZSA-N -1 0 307.368 -0.171 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000851504236 805919501 /nfs/dbraw/zinc/91/95/01/805919501.db2.gz UDUPDADVAWWIGS-JMJZKYOTSA-N -1 0 319.379 -0.291 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)C(COC)COC ZINC000851503999 805919741 /nfs/dbraw/zinc/91/97/41/805919741.db2.gz OXQSLCYCGKEFFQ-UHFFFAOYSA-N -1 0 306.344 -0.981 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC000851613290 805920432 /nfs/dbraw/zinc/92/04/32/805920432.db2.gz AJBJROVYRHPMHL-LBPRGKRZSA-N -1 0 322.358 -0.317 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CC1(n2cnnn2)CCOCC1 ZINC000851606439 805920606 /nfs/dbraw/zinc/92/06/06/805920606.db2.gz PANCITMIIVRPHP-WDEREUQCSA-N -1 0 323.353 -0.110 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000851595409 805920887 /nfs/dbraw/zinc/92/08/87/805920887.db2.gz IKGMUPPCEBWOKY-UHFFFAOYSA-N -1 0 313.358 -0.080 20 0 DBADRM COCCCOCCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000851601389 805920925 /nfs/dbraw/zinc/92/09/25/805920925.db2.gz RYMWHCBRVAGOEG-UHFFFAOYSA-N -1 0 312.326 -0.197 20 0 DBADRM O=C([O-])[C@]1(F)CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC12CCC2 ZINC000851614677 805921695 /nfs/dbraw/zinc/92/16/95/805921695.db2.gz RDNRPQONPDGJPY-QPUJVOFHSA-N -1 0 320.342 -0.517 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000851627449 805921757 /nfs/dbraw/zinc/92/17/57/805921757.db2.gz XLHUKPWFHMGTGF-QIAMSNJGSA-N -1 0 321.333 -0.533 20 0 DBADRM C[C@@H](CNC(=O)NCCS(=O)(=O)CC(F)(F)F)C(=O)[O-] ZINC000851651378 805921866 /nfs/dbraw/zinc/92/18/66/805921866.db2.gz LRVDSFKPVORUQC-LURJTMIESA-N -1 0 320.289 -0.017 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000851627447 805921883 /nfs/dbraw/zinc/92/18/83/805921883.db2.gz XLHUKPWFHMGTGF-FQLSZKSXSA-N -1 0 321.333 -0.533 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000851648695 805922083 /nfs/dbraw/zinc/92/20/83/805922083.db2.gz AOPQIOPBKWDAEJ-BXKDBHETSA-N -1 0 320.367 -0.836 20 0 DBADRM CC1(CCNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)OCCO1 ZINC000851679927 805924540 /nfs/dbraw/zinc/92/45/40/805924540.db2.gz DGXDZOOVTCMVNW-UHFFFAOYSA-N -1 0 314.338 -0.373 20 0 DBADRM COC(=O)C[C@H](C)N(OC)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001305930543 805924887 /nfs/dbraw/zinc/92/48/87/805924887.db2.gz FCHKUJYKAAAVBS-QMMMGPOBSA-N -1 0 316.314 -0.189 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCO[C@H]2CC2(F)F)C1 ZINC000851683386 805925303 /nfs/dbraw/zinc/92/53/03/805925303.db2.gz DPCIEHXKAUTBGH-QPUJVOFHSA-N -1 0 320.292 -0.150 20 0 DBADRM COC(=O)N(C)CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000851683448 805925661 /nfs/dbraw/zinc/92/56/61/805925661.db2.gz GILFTZBDNZMRDM-SECBINFHSA-N -1 0 317.342 -0.726 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC000851799437 805938123 /nfs/dbraw/zinc/93/81/23/805938123.db2.gz AHXCYJFDVIUOQP-LBPRGKRZSA-N -1 0 324.399 -0.442 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc(NC(=O)OC)cc1 ZINC001309917193 805941872 /nfs/dbraw/zinc/94/18/72/805941872.db2.gz YIXMOVPMJVSQQT-UHFFFAOYSA-N -1 0 317.323 -0.179 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC001309915258 805942085 /nfs/dbraw/zinc/94/20/85/805942085.db2.gz FIUGRMNHKYACNA-UHFFFAOYSA-N -1 0 302.234 -0.616 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1Cc2ccccc2NC1=O ZINC001312961179 805958129 /nfs/dbraw/zinc/95/81/29/805958129.db2.gz OXJRSPFSCBOCJF-NSHDSACASA-N -1 0 306.322 -0.083 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@H]1CC(=O)c2ccccc2O1 ZINC001313164043 805959819 /nfs/dbraw/zinc/95/98/19/805959819.db2.gz LIQBESYBUOKQNS-SECBINFHSA-N -1 0 307.306 -0.003 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1ccc(CC(=O)OC)cc1 ZINC001313361234 805960902 /nfs/dbraw/zinc/96/09/02/805960902.db2.gz KUSHOOJSROOHEJ-UHFFFAOYSA-N -1 0 309.322 -0.121 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000852398853 805962693 /nfs/dbraw/zinc/96/26/93/805962693.db2.gz ACBJHANWQOPLBB-LLVKDONJSA-N -1 0 300.359 -0.830 20 0 DBADRM COC(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852733404 805972547 /nfs/dbraw/zinc/97/25/47/805972547.db2.gz QAEYSOZNZRGAAM-SVRRBLITSA-N -1 0 312.244 -0.245 20 0 DBADRM COC(=O)N(C)CCN(C)C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000852915122 805991251 /nfs/dbraw/zinc/99/12/51/805991251.db2.gz QLKGVYDUDHKTFJ-SECBINFHSA-N -1 0 317.342 -0.678 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000852941519 805993944 /nfs/dbraw/zinc/99/39/44/805993944.db2.gz PBDGFJQMLMMAMK-VHSXEESVSA-N -1 0 321.399 -0.386 20 0 DBADRM CCN1C(=S)N=NC1CCNC(=O)[C@](C)(OC)C(=O)[O-] ZINC000852948633 805994078 /nfs/dbraw/zinc/99/40/78/805994078.db2.gz GFIXPXLKMQVXNZ-NSHDSACASA-N -1 0 302.356 -0.265 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)C1(C(=O)[O-])CC=CC1 ZINC000852943994 805994126 /nfs/dbraw/zinc/99/41/26/805994126.db2.gz GEELBHWZLMXTSF-UHFFFAOYSA-N -1 0 305.352 -0.415 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCCOCCS(C)(=O)=O ZINC000852944613 805994153 /nfs/dbraw/zinc/99/41/53/805994153.db2.gz OSWFOKMUPXPYLT-VIFPVBQESA-N -1 0 309.384 -0.089 20 0 DBADRM Cc1nc(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)nn1-c1nc[nH]n1 ZINC000852959613 805994823 /nfs/dbraw/zinc/99/48/23/805994823.db2.gz QQLJUOISRDTLKJ-SECBINFHSA-N -1 0 319.325 -0.075 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)c2c[nH]nc2Cl)CCOCC1 ZINC000853024444 805996137 /nfs/dbraw/zinc/99/61/37/805996137.db2.gz JAVZWAQSPDVIOI-UHFFFAOYSA-N -1 0 309.731 -0.025 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)/C=C\c1ccc(C(N)=O)o1 ZINC000853106496 805997183 /nfs/dbraw/zinc/99/71/83/805997183.db2.gz ANCXHZSRDDBBON-HORMHSFOSA-N -1 0 316.335 -0.127 20 0 DBADRM C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(S(=O)(=O)CCS(C)(=O)=O)C2 ZINC000853070397 805997223 /nfs/dbraw/zinc/99/72/23/805997223.db2.gz OSJULPHTQBFLCA-WEDXCCLWSA-N -1 0 311.381 -0.844 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(C)[nH]c1=O)OC ZINC000853203707 806001324 /nfs/dbraw/zinc/00/13/24/806001324.db2.gz HSUOKGNANQSETE-VIFPVBQESA-N -1 0 318.351 -0.183 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CC[C@H]1CCOC1)OC ZINC000853204437 806000805 /nfs/dbraw/zinc/00/08/05/806000805.db2.gz XSTNUVCEZAAVBA-WDEREUQCSA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cnc(OC)nc1)OC ZINC000853202094 806000854 /nfs/dbraw/zinc/00/08/54/806000854.db2.gz AQPPEMRBVUYRMI-VIFPVBQESA-N -1 0 319.339 -0.794 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C[C@H]1CCCOC1)OC ZINC000853207743 806001849 /nfs/dbraw/zinc/00/18/49/806001849.db2.gz IVFCXZJDPXIWQY-GHMZBOCLSA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CCCO[C@H]21)OC ZINC000853206357 806002443 /nfs/dbraw/zinc/00/24/43/806002443.db2.gz PZROICPVQZOSHX-GWOFURMSSA-N -1 0 307.368 -0.481 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C[C@H]1CCCC(=O)N1)OC ZINC000853209486 806003032 /nfs/dbraw/zinc/00/30/32/806003032.db2.gz LHVHNZQASOUJNY-NXEZZACHSA-N -1 0 322.383 -0.847 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1c(C)cnn1C)OC ZINC000853209689 806003141 /nfs/dbraw/zinc/00/31/41/806003141.db2.gz QGOUWAQHJOOIRC-SECBINFHSA-N -1 0 305.356 -0.550 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)n1 ZINC000853210405 806003716 /nfs/dbraw/zinc/00/37/16/806003716.db2.gz WPQBIADUVXJWEM-QMMMGPOBSA-N -1 0 306.344 -0.981 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H](OC)C1CCC1)OC ZINC000853210700 806003951 /nfs/dbraw/zinc/00/39/51/806003951.db2.gz DNLMHIUMMCPYFM-WDEREUQCSA-N -1 0 309.384 -0.091 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000854215848 806028872 /nfs/dbraw/zinc/02/88/72/806028872.db2.gz PHFPEHNJBRMYRC-NSHDSACASA-N -1 0 312.370 -0.292 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000854233589 806030427 /nfs/dbraw/zinc/03/04/27/806030427.db2.gz FRFCXGZUPDVIHE-RKDXNWHRSA-N -1 0 312.326 -0.583 20 0 DBADRM COC(OC)[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000854461191 806036698 /nfs/dbraw/zinc/03/66/98/806036698.db2.gz URMYRYVCTKQOJT-ZETCQYMHSA-N -1 0 318.351 -0.223 20 0 DBADRM Cc1nn(C)c(-n2ccnc2C)c1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854611402 806045478 /nfs/dbraw/zinc/04/54/78/806045478.db2.gz VTXWLJQQODYOIN-UHFFFAOYSA-N -1 0 318.297 -0.391 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000854610772 806045628 /nfs/dbraw/zinc/04/56/28/806045628.db2.gz KKDWYHRHDCWNTI-CQSZACIVSA-N -1 0 317.305 -0.393 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000854611431 806045791 /nfs/dbraw/zinc/04/57/91/806045791.db2.gz VYQYZJYCJYWGAO-QMMMGPOBSA-N -1 0 324.318 -0.279 20 0 DBADRM C[C@@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000854610410 806045820 /nfs/dbraw/zinc/04/58/20/806045820.db2.gz HIWNGBPAGNZOJN-BIIVOSGPSA-N -1 0 323.309 -0.677 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccnc(NC(=O)C2CC2)c1 ZINC000854610269 806046009 /nfs/dbraw/zinc/04/60/09/806046009.db2.gz BAMHXRKTXIMHQS-UHFFFAOYSA-N -1 0 304.266 -0.183 20 0 DBADRM C[C@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1C(=O)NC2(CCCC2)C1=O ZINC000854611008 806046047 /nfs/dbraw/zinc/04/60/47/806046047.db2.gz QXTYHBQRYJTVPE-ZCFIWIBFSA-N -1 0 324.297 -0.988 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC000854612354 806046675 /nfs/dbraw/zinc/04/66/75/806046675.db2.gz GOUGLLQBTLUWOQ-NXEZZACHSA-N -1 0 306.278 -0.084 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)cc1=O ZINC000854710452 806051746 /nfs/dbraw/zinc/05/17/46/806051746.db2.gz SZDGFTAWCIXYJJ-MRVPVSSYSA-N -1 0 314.342 -0.259 20 0 DBADRM CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001317000152 806066393 /nfs/dbraw/zinc/06/63/93/806066393.db2.gz IZPSXLKVWXBGIK-VHSXEESVSA-N -1 0 324.385 -0.652 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)CS(=O)(=O)CCOC ZINC000855132126 806070282 /nfs/dbraw/zinc/07/02/82/806070282.db2.gz GQWWKZFJBNSXSI-UHFFFAOYSA-N -1 0 311.356 -0.563 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H]1CCN=C2C1=NNN2C ZINC000855133058 806070833 /nfs/dbraw/zinc/07/08/33/806070833.db2.gz OXTXFOYMZPARBP-QMMMGPOBSA-N -1 0 311.342 -0.400 20 0 DBADRM COc1ccc(N2C[C@H](NC(=O)c3cc(=O)[nH][n-]3)CC2=O)cc1 ZINC000855461409 806076987 /nfs/dbraw/zinc/07/69/87/806076987.db2.gz QTHCOOIIGCEJAN-SECBINFHSA-N -1 0 316.317 -0.207 20 0 DBADRM COC(=O)N(C)CCN(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000855885956 806090118 /nfs/dbraw/zinc/09/01/18/806090118.db2.gz KYPPELBUKVHQMN-UHFFFAOYSA-N -1 0 303.344 -0.241 20 0 DBADRM Cc1occc1C(=O)NCC(=O)[N-]OCCN1CCCC1=O ZINC000856043029 806094641 /nfs/dbraw/zinc/09/46/41/806094641.db2.gz PYUXRUPJADUZCM-UHFFFAOYSA-N -1 0 309.322 -0.012 20 0 DBADRM COC(=O)N(C)CCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000855938195 806091659 /nfs/dbraw/zinc/09/16/59/806091659.db2.gz OJKWAYVIDJGDSB-UHFFFAOYSA-N -1 0 321.293 -0.136 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)[N-]OCCN1CCCC1=O ZINC000856038457 806093790 /nfs/dbraw/zinc/09/37/90/806093790.db2.gz BGKAKKCBVBRFNN-JTQLQIEISA-N -1 0 301.368 -0.422 20 0 DBADRM O=C([N-]OCCN1CCCC1=O)[C@H]1CCCCS1(=O)=O ZINC000856042345 806095128 /nfs/dbraw/zinc/09/51/28/806095128.db2.gz ASTDEDZYHLFYQS-SNVBAGLBSA-N -1 0 304.368 -0.376 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cc(=O)[nH][n-]2)C[C@@H]1NC(=O)C(F)(F)F ZINC000856419253 806099473 /nfs/dbraw/zinc/09/94/73/806099473.db2.gz YYMHZNFHPRAECT-SVRRBLITSA-N -1 0 320.271 -0.222 20 0 DBADRM C[C@@H](NC(=O)CC(N)=O)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001317199392 806104767 /nfs/dbraw/zinc/10/47/67/806104767.db2.gz FISDVOCNHKLRMR-BDAKNGLRSA-N -1 0 310.358 -0.898 20 0 DBADRM Cc1cccc(COCC(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000857017142 806106838 /nfs/dbraw/zinc/10/68/38/806106838.db2.gz CBLAHUQEMGCOBG-UHFFFAOYSA-N -1 0 300.336 -0.557 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCCCC(=O)[O-])C[C@@H]1CO ZINC000857100213 806108663 /nfs/dbraw/zinc/10/86/63/806108663.db2.gz ACUTYRZNEYGEDQ-GHMZBOCLSA-N -1 0 300.355 -0.166 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCCCC(=O)[O-])C[C@@H]1CO ZINC000857100216 806108669 /nfs/dbraw/zinc/10/86/69/806108669.db2.gz ACUTYRZNEYGEDQ-WDEREUQCSA-N -1 0 300.355 -0.166 20 0 DBADRM CCOC(=O)N1CC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000857182803 806110096 /nfs/dbraw/zinc/11/00/96/806110096.db2.gz PAYGRYHDDNLCOF-SECBINFHSA-N -1 0 319.321 -0.017 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)[N-]O[C@@H](CO)C(C)C ZINC000857285894 806114939 /nfs/dbraw/zinc/11/49/39/806114939.db2.gz NBEIXCUTNQNHQZ-JTQLQIEISA-N -1 0 312.388 -0.993 20 0 DBADRM CCn1ncn(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)c1=O ZINC000857511387 806119657 /nfs/dbraw/zinc/11/96/57/806119657.db2.gz MBLDTSRFWIWESQ-UHFFFAOYSA-N -1 0 316.277 -0.208 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2COCCO2)cn1 ZINC000858662085 806154563 /nfs/dbraw/zinc/15/45/63/806154563.db2.gz QZHGCMZGYCIWCT-SNVBAGLBSA-N -1 0 315.351 -0.402 20 0 DBADRM CCNC(=O)CC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001317500224 806168368 /nfs/dbraw/zinc/16/83/68/806168368.db2.gz XGQAIQIOZDTPGC-VIFPVBQESA-N -1 0 310.358 -0.883 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC2(C)OCCO2)on1 ZINC000859090150 806173021 /nfs/dbraw/zinc/17/30/21/806173021.db2.gz IJEDFKPVAPPHFB-UHFFFAOYSA-N -1 0 306.296 -0.498 20 0 DBADRM CC[S@@](=O)CCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859319478 806184366 /nfs/dbraw/zinc/18/43/66/806184366.db2.gz PLQRGSMXWAKDES-LJQANCHMSA-N -1 0 319.408 -0.049 20 0 DBADRM CCOC(=O)C[C@@H](O)COC(=O)c1cc(=O)[n-]c(OC)n1 ZINC000859641788 806202511 /nfs/dbraw/zinc/20/25/11/806202511.db2.gz QCGPDQRRORMKTN-SSDOTTSWSA-N -1 0 300.267 -0.338 20 0 DBADRM CN1CC(=O)Nc2cc(C(=O)NCc3n[nH]c(=O)[n-]3)cnc21 ZINC000859832643 806205355 /nfs/dbraw/zinc/20/53/55/806205355.db2.gz MKNVGQNINVPAOH-UHFFFAOYSA-N -1 0 303.282 -0.776 20 0 DBADRM CC[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(N)=O ZINC000859922494 806211319 /nfs/dbraw/zinc/21/13/19/806211319.db2.gz IOGRWRBVEUFKIA-MRVPVSSYSA-N -1 0 301.324 -0.126 20 0 DBADRM CC1(CNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)OCCO1 ZINC000860326638 806227291 /nfs/dbraw/zinc/22/72/91/806227291.db2.gz MNOSUZKBJAGKQO-UHFFFAOYSA-N -1 0 315.351 -0.054 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@]1(C)Br ZINC000860538174 806235611 /nfs/dbraw/zinc/23/56/11/806235611.db2.gz ZFUVRYDEDNRRDM-XNCJUZBTSA-N -1 0 314.157 -0.221 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC000860536710 806235629 /nfs/dbraw/zinc/23/56/29/806235629.db2.gz ABDDUJWBPNOUHB-DTWKUNHWSA-N -1 0 309.340 -0.811 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000860496939 806233234 /nfs/dbraw/zinc/23/32/34/806233234.db2.gz ZKHBUYVXBQRWCQ-LLVKDONJSA-N -1 0 305.400 -0.006 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)Cc1ccc(C(N)=O)nc1 ZINC000860529005 806234049 /nfs/dbraw/zinc/23/40/49/806234049.db2.gz FPKIXXYVVCPMCW-UHFFFAOYSA-N -1 0 314.367 -0.576 20 0 DBADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000860541796 806234895 /nfs/dbraw/zinc/23/48/95/806234895.db2.gz NAOKHEAVFKFGCQ-BBBLOLIVSA-N -1 0 306.384 -0.099 20 0 DBADRM O=C([N-]S(=O)(=O)CC1CC1)c1cn(C[C@@H]2CCOC2)nn1 ZINC000860544670 806235048 /nfs/dbraw/zinc/23/50/48/806235048.db2.gz SRSCDHUZXURQQZ-JTQLQIEISA-N -1 0 314.367 -0.216 20 0 DBADRM COCCCn1cc(C(=O)[N-]S(=O)(=O)CC(=O)OC)cn1 ZINC000860538121 806235255 /nfs/dbraw/zinc/23/52/55/806235255.db2.gz XWHPBJJJWNCFRB-UHFFFAOYSA-N -1 0 319.339 -0.848 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1cncc1C ZINC000860666751 806241789 /nfs/dbraw/zinc/24/17/89/806241789.db2.gz UHHCDBPALOVUAR-UWVGGRQHSA-N -1 0 317.367 -0.165 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1cn(C2CC2)nn1 ZINC000860642155 806240276 /nfs/dbraw/zinc/24/02/76/806240276.db2.gz FXTXBTNWCJITOV-VIFPVBQESA-N -1 0 300.340 -0.148 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1)C(C)C ZINC000860642609 806240332 /nfs/dbraw/zinc/24/03/32/806240332.db2.gz MXGKPQDPDYSEMY-GHMZBOCLSA-N -1 0 306.384 -0.228 20 0 DBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(C(=O)OC)cn1 ZINC000860648883 806240399 /nfs/dbraw/zinc/24/03/99/806240399.db2.gz BGJAOZBEEXWFGG-QMMMGPOBSA-N -1 0 303.340 -0.086 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1ccnc2ccnn21 ZINC000860643242 806240785 /nfs/dbraw/zinc/24/07/85/806240785.db2.gz VDLYTSDGGSNNKC-SECBINFHSA-N -1 0 310.335 -0.032 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000860691298 806242835 /nfs/dbraw/zinc/24/28/35/806242835.db2.gz TUKUVLBMDYCNGO-SECBINFHSA-N -1 0 302.356 -0.235 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)cn1 ZINC000860705188 806243028 /nfs/dbraw/zinc/24/30/28/806243028.db2.gz FKTMLRPKIJKXBX-ZETCQYMHSA-N -1 0 301.280 -0.997 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCO2)[C@@H]1COC(=O)N1 ZINC000860731495 806243540 /nfs/dbraw/zinc/24/35/40/806243540.db2.gz GAWAQADQQVXDAL-VIFPVBQESA-N -1 0 312.303 -0.465 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cn(C2CC2)nn1 ZINC000860737171 806244894 /nfs/dbraw/zinc/24/48/94/806244894.db2.gz UIGLSFPHEYDBKX-UHFFFAOYSA-N -1 0 312.311 -0.390 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cnn(C2CC2)c1 ZINC000860758253 806245262 /nfs/dbraw/zinc/24/52/62/806245262.db2.gz KLEMPMHPMXQZNE-UHFFFAOYSA-N -1 0 301.324 -0.159 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000860754697 806245382 /nfs/dbraw/zinc/24/53/82/806245382.db2.gz MBEYOBUXQGLZBP-QWRGUYRKSA-N -1 0 306.384 -0.370 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C(C)C)CC1 ZINC000860777531 806246525 /nfs/dbraw/zinc/24/65/25/806246525.db2.gz XTGMSZNKXVSINI-SNVBAGLBSA-N -1 0 306.384 -0.228 20 0 DBADRM CNC(=O)OCCOC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000860766173 806246573 /nfs/dbraw/zinc/24/65/73/806246573.db2.gz FKFVWCMRPMDCAZ-UHFFFAOYSA-N -1 0 317.323 -0.034 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cn(C)nc1C)C(C)C ZINC000860768655 806246607 /nfs/dbraw/zinc/24/66/07/806246607.db2.gz XONPJEHUNLSQFQ-LLVKDONJSA-N -1 0 316.383 -0.306 20 0 DBADRM Cc1nc(S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C)cn1C ZINC000860824001 806248566 /nfs/dbraw/zinc/24/85/66/806248566.db2.gz DBIQJRLILZKIQT-JTQLQIEISA-N -1 0 302.356 -0.696 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1)C(C)C ZINC000860825035 806248789 /nfs/dbraw/zinc/24/87/89/806248789.db2.gz ZIQLQHQFOJASJP-LLVKDONJSA-N -1 0 316.383 -0.306 20 0 DBADRM Cc1nc(S(=O)(=O)[N-]C(=O)c2cn(C3CC3)nn2)cn1C ZINC000860824683 806248900 /nfs/dbraw/zinc/24/89/00/806248900.db2.gz QUXXMJYBJRXHFE-UHFFFAOYSA-N -1 0 310.339 -0.226 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1)C(C)C ZINC000860860058 806250054 /nfs/dbraw/zinc/25/00/54/806250054.db2.gz YVVKXMLPSXMDMF-LLVKDONJSA-N -1 0 316.383 -0.473 20 0 DBADRM COC1CC(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)C1 ZINC000860865780 806250320 /nfs/dbraw/zinc/25/03/20/806250320.db2.gz VWGMZTXMYMYRKE-UHFFFAOYSA-N -1 0 303.296 -0.997 20 0 DBADRM CCc1nocc1C(=O)[N-]S(=O)(=O)C[C@H](COC)OC ZINC000860890667 806251036 /nfs/dbraw/zinc/25/10/36/806251036.db2.gz FLHDTNJJNUYROG-QMMMGPOBSA-N -1 0 306.340 -0.042 20 0 DBADRM CCO[C@@H](C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)C1CC1 ZINC000860892903 806251417 /nfs/dbraw/zinc/25/14/17/806251417.db2.gz ZBXDXPPBOPBZSS-WDEREUQCSA-N -1 0 309.384 -0.091 20 0 DBADRM CN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001318025221 806253065 /nfs/dbraw/zinc/25/30/65/806253065.db2.gz DXDXIRHOMKUQKX-RITPCOANSA-N -1 0 317.289 -0.634 20 0 DBADRM O=C(NN1CC(=O)NC1=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC001318043892 806256088 /nfs/dbraw/zinc/25/60/88/806256088.db2.gz MOVUYFYDJLFWJA-UHFFFAOYSA-N -1 0 319.302 -0.179 20 0 DBADRM O=C([N-]S(=O)(=O)C1(C(F)F)CC1)c1ccn2nnnc2c1 ZINC000861159519 806260237 /nfs/dbraw/zinc/26/02/37/806260237.db2.gz WVNZIYCAMLCMME-UHFFFAOYSA-N -1 0 317.277 -0.018 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1)C(=O)C1CC1 ZINC000861138875 806257995 /nfs/dbraw/zinc/25/79/95/806257995.db2.gz AXVLLGZPIMCHHN-SNVBAGLBSA-N -1 0 318.395 -0.132 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCCO2)CC[C@@H]1C(=O)[O-] ZINC000861716305 806282913 /nfs/dbraw/zinc/28/29/13/806282913.db2.gz QYOYJEKXWAGAHJ-MXWKQRLJSA-N -1 0 314.338 -0.913 20 0 DBADRM CC(=O)N(C)c1ccc(CNC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000861717374 806283137 /nfs/dbraw/zinc/28/31/37/806283137.db2.gz DWCZKGNCURBBTJ-UHFFFAOYSA-N -1 0 321.333 -0.124 20 0 DBADRM COC(=O)C1=CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000861722265 806284446 /nfs/dbraw/zinc/28/44/46/806284446.db2.gz YOSXWZAJJWSTRV-NXEZZACHSA-N -1 0 310.306 -0.703 20 0 DBADRM CCOC(=O)C1=CC[C@@H](NC(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000861720966 806284674 /nfs/dbraw/zinc/28/46/74/806284674.db2.gz LBDFHFGBTVWBTP-SNVBAGLBSA-N -1 0 312.322 -0.312 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC000861725313 806285497 /nfs/dbraw/zinc/28/54/97/806285497.db2.gz YRODFLOWGJTNOD-DTWKUNHWSA-N -1 0 309.326 -0.716 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000862130560 806312381 /nfs/dbraw/zinc/31/23/81/806312381.db2.gz LCBQWODGLNBGGN-RISCZKNCSA-N -1 0 320.349 -0.215 20 0 DBADRM COC(=O)c1cnn(CC(=O)[N-]OCCN2CCCC2=O)c1 ZINC000862217384 806316730 /nfs/dbraw/zinc/31/67/30/806316730.db2.gz CGBVXFQEKKWGKY-UHFFFAOYSA-N -1 0 310.310 -0.660 20 0 DBADRM CCON(CC)C(=O)CNC(=O)c1c[n-]n2c1nccc2=O ZINC000862621589 806323429 /nfs/dbraw/zinc/32/34/29/806323429.db2.gz CXYJWNDAYQYNJZ-UHFFFAOYSA-N -1 0 307.310 -0.448 20 0 DBADRM COC(=O)[C@H](Cc1cccc(OC)c1)NC(=O)c1cc(=O)[nH][n-]1 ZINC000862725159 806331828 /nfs/dbraw/zinc/33/18/28/806331828.db2.gz LXFFEIUWLWJLJX-LBPRGKRZSA-N -1 0 319.317 -0.229 20 0 DBADRM O=C(NN1CCS(=O)(=O)CC1)c1n[n-]c2ccccc2c1=O ZINC000862735607 806334567 /nfs/dbraw/zinc/33/45/67/806334567.db2.gz JJQPPKUUTNNBIX-UHFFFAOYSA-N -1 0 322.346 -0.289 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000863006206 806343835 /nfs/dbraw/zinc/34/38/35/806343835.db2.gz NQKDFQOMCAFVJA-UOKLYIGXSA-N -1 0 305.338 -0.001 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000863015805 806344271 /nfs/dbraw/zinc/34/42/71/806344271.db2.gz GYMQDIULPGJMBB-ZCFIWIBFSA-N -1 0 314.260 -0.516 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)[C@](C)(C(=O)[O-])C1 ZINC000863412103 806355916 /nfs/dbraw/zinc/35/59/16/806355916.db2.gz HFICTRCEIIWNRD-SCVCMEIPSA-N -1 0 307.368 -0.083 20 0 DBADRM CC(=O)C[C@@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-] ZINC000863411239 806356060 /nfs/dbraw/zinc/35/60/60/806356060.db2.gz VLLDRIBVXIHOMX-MRVPVSSYSA-N -1 0 301.324 -0.317 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])cn1 ZINC000863407761 806356154 /nfs/dbraw/zinc/35/61/54/806356154.db2.gz KUYIOEUXIQFZRN-JTQLQIEISA-N -1 0 319.339 -0.760 20 0 DBADRM CCO[C@H](CS(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1CC1 ZINC000863408810 806356263 /nfs/dbraw/zinc/35/62/63/806356263.db2.gz RETTZRWDNKNDPY-GMTAPVOTSA-N -1 0 307.368 -0.349 20 0 DBADRM CC(=O)C[C@@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-] ZINC000863411039 806356308 /nfs/dbraw/zinc/35/63/08/806356308.db2.gz SCZSFDOWZLBXRP-MRVPVSSYSA-N -1 0 313.291 -0.067 20 0 DBADRM COC[C@H]1CCCN1[N-]C(=O)C(F)(F)C(=O)N1CCOCC1 ZINC000863496313 806359720 /nfs/dbraw/zinc/35/97/20/806359720.db2.gz WIASVBJPLUGZIF-SNVBAGLBSA-N -1 0 321.324 -0.378 20 0 DBADRM Cn1nc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1Cl ZINC000863531206 806360817 /nfs/dbraw/zinc/36/08/17/806360817.db2.gz QIVPDDIIRALKJL-MRVPVSSYSA-N -1 0 307.759 -0.243 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)C[C@H]1C(=O)[O-] ZINC000863745967 806370005 /nfs/dbraw/zinc/37/00/05/806370005.db2.gz DOEQOSIQZBSKGI-LNFKQOIKSA-N -1 0 324.333 -0.813 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)C1 ZINC000863748380 806370963 /nfs/dbraw/zinc/37/09/63/806370963.db2.gz XKHAPKSLKVMIBS-UKKRHICBSA-N -1 0 324.333 -0.813 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863749293 806371236 /nfs/dbraw/zinc/37/12/36/806371236.db2.gz OCDHWEKLUZEAIW-QIBSRJKCSA-N -1 0 311.338 -0.968 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)C1 ZINC000863748379 806371253 /nfs/dbraw/zinc/37/12/53/806371253.db2.gz XKHAPKSLKVMIBS-LNFKQOIKSA-N -1 0 324.333 -0.813 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC000864059062 806386720 /nfs/dbraw/zinc/38/67/20/806386720.db2.gz ZOTMCJSSCJAGBD-ZIAGYGMSSA-N -1 0 312.322 -0.175 20 0 DBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000864119169 806390133 /nfs/dbraw/zinc/39/01/33/806390133.db2.gz WSKOVKFUPKODPW-SECBINFHSA-N -1 0 317.319 -0.083 20 0 DBADRM O=C([O-])COCCNC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000864171984 806391107 /nfs/dbraw/zinc/39/11/07/806391107.db2.gz MSBOEELTDRFTGS-UHFFFAOYSA-N -1 0 305.294 -0.578 20 0 DBADRM CS(=O)(=O)Nc1cccc(C(=O)NCCOCC(=O)[O-])c1 ZINC000864172122 806391151 /nfs/dbraw/zinc/39/11/51/806391151.db2.gz PGPJFIPACZUQAT-UHFFFAOYSA-N -1 0 316.335 -0.111 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-] ZINC000864140804 806391345 /nfs/dbraw/zinc/39/13/45/806391345.db2.gz RKWOEWZAYSUECN-QYNIQEEDSA-N -1 0 301.217 -0.452 20 0 DBADRM Cn1cc(/C=C/C(=O)NC2CC(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000864204534 806391883 /nfs/dbraw/zinc/39/18/83/806391883.db2.gz CNKAEXWHGDNWPY-ONEGZZNKSA-N -1 0 307.306 -0.923 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)Cn1nc3ccccn3c1=O)C2 ZINC000864209092 806392159 /nfs/dbraw/zinc/39/21/59/806392159.db2.gz UUWMGIBLWXKYRD-FTGAXOIBSA-N -1 0 316.317 -0.135 20 0 DBADRM CN1CC[C@@H](C(=O)NCc2cc(C(=O)[O-])co2)S1(=O)=O ZINC000864191365 806392385 /nfs/dbraw/zinc/39/23/85/806392385.db2.gz FPQMVGWRYJKREQ-VIFPVBQESA-N -1 0 302.308 -0.372 20 0 DBADRM O=C([O-])c1coc(CNC(=O)CN2CCCS2(=O)=O)c1 ZINC000864192983 806392454 /nfs/dbraw/zinc/39/24/54/806392454.db2.gz JWKDWEOKKIPAKK-UHFFFAOYSA-N -1 0 302.308 -0.371 20 0 DBADRM CNC(=O)c1ccc(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])cn1 ZINC000864214406 806392487 /nfs/dbraw/zinc/39/24/87/806392487.db2.gz GZXWHZOFZZKKAR-KWQFWETISA-N -1 0 307.306 -0.339 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC000864208794 806392530 /nfs/dbraw/zinc/39/25/30/806392530.db2.gz LGAZMDVNLADXTP-MPXOCVNLSA-N -1 0 316.379 -0.220 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC001319579626 806394212 /nfs/dbraw/zinc/39/42/12/806394212.db2.gz WKPXYCXVDDOEFV-SECBINFHSA-N -1 0 318.351 -0.992 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000864495463 806395429 /nfs/dbraw/zinc/39/54/29/806395429.db2.gz HRHXGYJOALYXKP-MFKMUULPSA-N -1 0 316.379 -0.124 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(F)nc2F)CCO1 ZINC000864492837 806395596 /nfs/dbraw/zinc/39/55/96/806395596.db2.gz QCUIJSSCRDFZLG-ZCFIWIBFSA-N -1 0 308.262 -0.166 20 0 DBADRM C[C@H](C(=O)NCc1nc(=O)o[n-]1)N1C(=O)NC2(CCCC2)C1=O ZINC001319723180 806405586 /nfs/dbraw/zinc/40/55/86/806405586.db2.gz FJEMTOCSKBIHSF-SSDOTTSWSA-N -1 0 323.309 -0.768 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N(CCCCO)C1CC1 ZINC001319734012 806406067 /nfs/dbraw/zinc/40/60/67/806406067.db2.gz RTDKIWSSZNUWNQ-UHFFFAOYSA-N -1 0 305.338 -0.165 20 0 DBADRM COCc1cccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC001319819893 806411237 /nfs/dbraw/zinc/41/12/37/806411237.db2.gz OYVOPIWYXKGIBH-UHFFFAOYSA-N -1 0 305.294 -0.088 20 0 DBADRM Cn1c2ccccc2n(CCC(=O)NCc2nc(=O)o[n-]2)c1=O ZINC001319858919 806413367 /nfs/dbraw/zinc/41/33/67/806413367.db2.gz PSIBRLGUJMPGRK-UHFFFAOYSA-N -1 0 317.305 -0.277 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NCc2cnn(C)n2)cc1 ZINC000865804840 806425500 /nfs/dbraw/zinc/42/55/00/806425500.db2.gz JELYUBTWMKXRFL-UHFFFAOYSA-N -1 0 300.326 -0.108 20 0 DBADRM C[C@@H]1CN=C(N2CCN(C(=O)CCc3nnn[n-]3)CC2)S1 ZINC000866088496 806433027 /nfs/dbraw/zinc/43/30/27/806433027.db2.gz NDWPFDDXLVWQIY-SECBINFHSA-N -1 0 309.399 -0.232 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@H]1CN2CCC[C@H]2CO1 ZINC000866674854 806447395 /nfs/dbraw/zinc/44/73/95/806447395.db2.gz FLMXFVIVLAMOHF-UWVGGRQHSA-N -1 0 311.429 -0.588 20 0 DBADRM CCOC(Cn1cc(C(=O)[N-]N2CN=NC2=O)nn1)OCC ZINC001320264458 806465609 /nfs/dbraw/zinc/46/56/09/806465609.db2.gz YGDUQRPLNQDSDT-UHFFFAOYSA-N -1 0 311.302 -0.642 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H](C)[C@H]1CN(C)CCO1 ZINC000866988933 806467129 /nfs/dbraw/zinc/46/71/29/806467129.db2.gz TUIRMKTWGJHNMC-MHNGPXOMSA-N -1 0 313.445 -0.342 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](C)[C@@H]1CN(C)CCO1 ZINC000866988934 806467622 /nfs/dbraw/zinc/46/76/22/806467622.db2.gz TUIRMKTWGJHNMC-RAALSFIWSA-N -1 0 313.445 -0.342 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O ZINC001320271925 806467756 /nfs/dbraw/zinc/46/77/56/806467756.db2.gz QGENMGFBLWDIBS-UHFFFAOYSA-N -1 0 320.367 -0.602 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@]1(OC)CCOC1 ZINC000867110239 806473455 /nfs/dbraw/zinc/47/34/55/806473455.db2.gz XMLCORAGJYAYPP-HUTHGQBESA-N -1 0 300.402 -0.256 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@]1(OC)CCOC1 ZINC000867110242 806473560 /nfs/dbraw/zinc/47/35/60/806473560.db2.gz XMLCORAGJYAYPP-XYZCENFISA-N -1 0 300.402 -0.256 20 0 DBADRM O=C([N-]N1CN=NC1=O)c1n[nH]cc1I ZINC001320328031 806477805 /nfs/dbraw/zinc/47/78/05/806477805.db2.gz PNTPGBNIBJQZCO-UHFFFAOYSA-N -1 0 320.050 -0.305 20 0 DBADRM CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000867175445 806478200 /nfs/dbraw/zinc/47/82/00/806478200.db2.gz CJQVTGOCDJPIGT-VIFPVBQESA-N -1 0 311.429 -0.051 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](C)C(=O)N1CCCC1 ZINC000867224831 806481154 /nfs/dbraw/zinc/48/11/54/806481154.db2.gz DWHXGUHXNYBGMV-YYSFKGJASA-N -1 0 311.429 -0.051 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)CCC1 ZINC000867269283 806485359 /nfs/dbraw/zinc/48/53/59/806485359.db2.gz AVNKAMWVDGMYFT-QMMMGPOBSA-N -1 0 311.331 -0.097 20 0 DBADRM CC[C@](COC)([N-]S(=O)(=O)CCn1cccn1)C(=O)OC ZINC000867378201 806493226 /nfs/dbraw/zinc/49/32/26/806493226.db2.gz TVTCEAOSSWFKHR-GFCCVEGCSA-N -1 0 319.383 -0.229 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](OC)[C@H]1CCOC1 ZINC000867498029 806503062 /nfs/dbraw/zinc/50/30/62/806503062.db2.gz UTRLNVUNCMEKDI-VOQFUICPSA-N -1 0 314.429 -0.010 20 0 DBADRM CN(C1CCN(C(=O)C2(C(=O)[O-])CC2)CC1)S(C)(=O)=O ZINC001320570997 806503723 /nfs/dbraw/zinc/50/37/23/806503723.db2.gz ZGNUXCHXBLJTLY-UHFFFAOYSA-N -1 0 304.368 -0.266 20 0 DBADRM COCC(=O)N1CCc2cc(NC(=O)C(=O)[N-]OC)ccc21 ZINC001320603585 806508560 /nfs/dbraw/zinc/50/85/60/806508560.db2.gz PTNIJXAULOJWGF-UHFFFAOYSA-N -1 0 307.306 -0.162 20 0 DBADRM Cn1ncc(S(=O)(=O)[N-]N2CCCC2=O)c1Br ZINC000867592514 806510815 /nfs/dbraw/zinc/51/08/15/806510815.db2.gz FSGNIGLMOZXDCL-UHFFFAOYSA-N -1 0 323.172 -0.002 20 0 DBADRM COC(=O)c1cc(F)ccc1NC(=O)C(=O)[N-]OCC(N)=O ZINC001320739508 806522850 /nfs/dbraw/zinc/52/28/50/806522850.db2.gz HHMONQRXNMHIDQ-UHFFFAOYSA-N -1 0 313.241 -0.916 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC001320739327 806522943 /nfs/dbraw/zinc/52/29/43/806522943.db2.gz DVZXPVDIPKVDQB-UHFFFAOYSA-N -1 0 324.268 -0.818 20 0 DBADRM CCNS(=O)(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000867890242 806531196 /nfs/dbraw/zinc/53/11/96/806531196.db2.gz LTAGGXHGJCNSBH-MRVPVSSYSA-N -1 0 303.306 -0.016 20 0 DBADRM Cc1cnn(-c2c(C(=O)[N-]N3CC(=O)NC3=O)c(C)nn2C)c1 ZINC001320813558 806531265 /nfs/dbraw/zinc/53/12/65/806531265.db2.gz ARJXLVSYQYESCP-UHFFFAOYSA-N -1 0 317.309 -0.581 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(C(N)=O)cn2)C1=O ZINC001320832390 806533646 /nfs/dbraw/zinc/53/36/46/806533646.db2.gz ZPPFUTAPTYOEIB-CYBMUJFWSA-N -1 0 305.294 -0.454 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC001320923606 806542674 /nfs/dbraw/zinc/54/26/74/806542674.db2.gz QXPGOOGGUINLNM-UHFFFAOYSA-N -1 0 301.324 -0.447 20 0 DBADRM C[C@H](O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000868332509 806543287 /nfs/dbraw/zinc/54/32/87/806543287.db2.gz FZQJGXMKZWHMJL-SDDRHHMPSA-N -1 0 312.366 -0.071 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](OC)C2)C1 ZINC000868334967 806544157 /nfs/dbraw/zinc/54/41/57/806544157.db2.gz ACLUPYAIDSQVSC-YGRLFVJLSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)C2 ZINC000868344722 806544279 /nfs/dbraw/zinc/54/42/79/806544279.db2.gz SHOOPXKPOJACRJ-UEKVPHQBSA-N -1 0 310.350 -0.196 20 0 DBADRM CCO[C@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)[C@H]1CCOC1 ZINC000868441565 806555771 /nfs/dbraw/zinc/55/57/71/806555771.db2.gz WOHMCTCPFOFMLH-OZTPJHRESA-N -1 0 313.350 -0.012 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001321021998 806557388 /nfs/dbraw/zinc/55/73/88/806557388.db2.gz AGIPPJXOLKJKMG-IYABHPQVSA-N -1 0 309.326 -0.775 20 0 DBADRM COc1nccc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)n1 ZINC001321147877 806580001 /nfs/dbraw/zinc/58/00/01/806580001.db2.gz APPJLOJMTJHRRX-NSCUHMNNSA-N -1 0 319.325 -0.615 20 0 DBADRM C[C@@]1(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)CCC(=O)NC1 ZINC001321221055 806589196 /nfs/dbraw/zinc/58/91/96/806589196.db2.gz DQMNFVVHBKBANB-PYLYLYNFSA-N -1 0 322.369 -0.811 20 0 DBADRM CC(C)c1nn(C)cc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001321250394 806594355 /nfs/dbraw/zinc/59/43/55/806594355.db2.gz LHTRKKUPCYHLGO-UHFFFAOYSA-N -1 0 307.314 -0.378 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cn2c(n1)C[C@@H](OC)CC2 ZINC000870200817 806597316 /nfs/dbraw/zinc/59/73/16/806597316.db2.gz ZPSHBQUBFUWMHQ-VIFPVBQESA-N -1 0 317.367 -0.450 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1C ZINC000870214295 806597423 /nfs/dbraw/zinc/59/74/23/806597423.db2.gz KZDLPVVSVHCUTB-UHFFFAOYSA-N -1 0 302.356 -0.482 20 0 DBADRM COc1cccnc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000870214072 806597486 /nfs/dbraw/zinc/59/74/86/806597486.db2.gz HBSAJBFNNNMHPV-UHFFFAOYSA-N -1 0 301.324 -0.603 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H](OCC)[C@H]1CCOC1 ZINC000870199350 806597720 /nfs/dbraw/zinc/59/77/20/806597720.db2.gz LEDVYLAYKJVNIV-WDEREUQCSA-N -1 0 309.384 -0.090 20 0 DBADRM COCCn1ncc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1C ZINC000870203293 806597730 /nfs/dbraw/zinc/59/77/30/806597730.db2.gz CTRIVHLJONMFJI-JTQLQIEISA-N -1 0 317.367 -0.314 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@]12CCC[C@H]1OCC2 ZINC000870282562 806598358 /nfs/dbraw/zinc/59/83/58/806598358.db2.gz MPLIZYGXBNPMDA-SBMIAAHKSA-N -1 0 305.352 -0.047 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@]12CCC[C@H]1OCC2 ZINC000870265242 806598690 /nfs/dbraw/zinc/59/86/90/806598690.db2.gz IDWSOMGSZIJJHJ-SKDRFNHKSA-N -1 0 305.352 -0.045 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@]12CCC[C@H]1OCC2 ZINC000870282561 806598818 /nfs/dbraw/zinc/59/88/18/806598818.db2.gz MPLIZYGXBNPMDA-LNLATYFQSA-N -1 0 305.352 -0.047 20 0 DBADRM CNC(=O)C1(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)CCC1 ZINC001321348970 806610881 /nfs/dbraw/zinc/61/08/81/806610881.db2.gz HQYDRBXSXZPTSS-IHWYPQMZSA-N -1 0 322.369 -0.811 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC001321358399 806612797 /nfs/dbraw/zinc/61/27/97/806612797.db2.gz KRFOOBFVLJREFF-UHFFFAOYSA-N -1 0 313.285 -0.053 20 0 DBADRM O=C([O-])[C@@H]1[C@H]([C@@H]2CCCO2)CCN1S(=O)(=O)NC1CC1 ZINC000871740518 806641734 /nfs/dbraw/zinc/64/17/34/806641734.db2.gz QGZZTALEXMSXSM-DCAQKATOSA-N -1 0 304.368 -0.063 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)N2CCc3ccccc3C2)C1 ZINC000871996775 806645835 /nfs/dbraw/zinc/64/58/35/806645835.db2.gz GMFJFXQWCOVCAE-UHFFFAOYSA-N -1 0 312.347 -0.579 20 0 DBADRM CNC(=O)C1(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)CC1 ZINC001321602207 806646320 /nfs/dbraw/zinc/64/63/20/806646320.db2.gz IFSLWNDFELZKGY-UHFFFAOYSA-N -1 0 319.368 -0.626 20 0 DBADRM COc1ccccc1CO[N-]C(=O)C(=O)NCCC(=O)N(C)C ZINC001321631727 806649783 /nfs/dbraw/zinc/64/97/83/806649783.db2.gz VXDRWFQZAKDTOD-UHFFFAOYSA-N -1 0 323.349 -0.163 20 0 DBADRM Cn1c([O-])ncc(C(=O)N2CCN(C)c3ncccc3C2)c1=O ZINC000872305694 806655599 /nfs/dbraw/zinc/65/55/99/806655599.db2.gz ZNNUZXSBYAVASY-UHFFFAOYSA-N -1 0 315.333 -0.027 20 0 DBADRM CN1C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC1=O ZINC000872443766 806657475 /nfs/dbraw/zinc/65/74/75/806657475.db2.gz AUNJNBZWVYALHS-NTCNTBNZSA-N -1 0 311.429 -0.052 20 0 DBADRM CN1C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC1=O ZINC000872443763 806657514 /nfs/dbraw/zinc/65/75/14/806657514.db2.gz AUNJNBZWVYALHS-ASCAZGACSA-N -1 0 311.429 -0.052 20 0 DBADRM CN1C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC1=O ZINC000872443765 806657662 /nfs/dbraw/zinc/65/76/62/806657662.db2.gz AUNJNBZWVYALHS-DCXZOGHSSA-N -1 0 311.429 -0.052 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 ZINC001321690377 806658383 /nfs/dbraw/zinc/65/83/83/806658383.db2.gz WXOXLFLXJNUELE-UHFFFAOYSA-N -1 0 309.278 -0.795 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccc(-c2ncco2)c1 ZINC001321688883 806658495 /nfs/dbraw/zinc/65/84/95/806658495.db2.gz HIRBYQGVEOJVRB-UHFFFAOYSA-N -1 0 304.262 -0.187 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccc2c1OCCC2=O ZINC001321689769 806658602 /nfs/dbraw/zinc/65/86/02/806658602.db2.gz LYKGUTCFDJRCRB-UHFFFAOYSA-N -1 0 307.262 -0.877 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000872738247 806671677 /nfs/dbraw/zinc/67/16/77/806671677.db2.gz HNQXYAZRVLBUGE-WDEREUQCSA-N -1 0 316.379 -0.266 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C(C)C ZINC000873505221 806686430 /nfs/dbraw/zinc/68/64/30/806686430.db2.gz KTGFNWIFEQIWGS-ZJUUUORDSA-N -1 0 306.384 -0.133 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C(C)C ZINC000873510681 806686731 /nfs/dbraw/zinc/68/67/31/806686731.db2.gz HUMHOQZSKQHGMZ-JTQLQIEISA-N -1 0 321.399 -0.675 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)/C=C/c3ccncn3)C2)nn1 ZINC001321953354 806692117 /nfs/dbraw/zinc/69/21/17/806692117.db2.gz CICMEWNWLUQELF-OWOJBTEDSA-N -1 0 300.278 -0.137 20 0 DBADRM CC[C@@H](C)NC(=O)CCNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001321982599 806696794 /nfs/dbraw/zinc/69/67/94/806696794.db2.gz AMVKDZAAVPUAMB-MNOVXSKESA-N -1 0 315.370 -0.508 20 0 DBADRM CC[C@@H](C)NC(=O)CCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001321982598 806696932 /nfs/dbraw/zinc/69/69/32/806696932.db2.gz AMVKDZAAVPUAMB-GHMZBOCLSA-N -1 0 315.370 -0.508 20 0 DBADRM Cc1nc2ccc(NC(=O)C(=O)NCc3nnn[n-]3)cc2o1 ZINC001321985182 806697882 /nfs/dbraw/zinc/69/78/82/806697882.db2.gz WNUDFIGQZWBZAF-UHFFFAOYSA-N -1 0 301.266 -0.096 20 0 DBADRM O=C([N-]N1CC(=O)NC1=O)c1ccnc(N2CCCCC2)n1 ZINC001322014087 806699999 /nfs/dbraw/zinc/69/99/99/806699999.db2.gz VBDVGOPOHVBRMA-UHFFFAOYSA-N -1 0 304.310 -0.337 20 0 DBADRM O=C([N-]O[C@@H]1CCCCO1)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC000874262683 806703800 /nfs/dbraw/zinc/70/38/00/806703800.db2.gz VESOIMCERCAUHK-NQBHXWOUSA-N -1 0 308.338 -0.009 20 0 DBADRM O=C([N-]O[C@@H]1CCCCO1)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC000874262681 806703890 /nfs/dbraw/zinc/70/38/90/806703890.db2.gz VESOIMCERCAUHK-DMDPSCGWSA-N -1 0 308.338 -0.009 20 0 DBADRM CN(C)c1n[nH]c([N-]S(=O)(=O)c2cnc3c(cnn3C)c2)n1 ZINC001322051192 806706553 /nfs/dbraw/zinc/70/65/53/806706553.db2.gz KMKJEJQMIPYECK-UHFFFAOYSA-N -1 0 322.354 -0.047 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC001322515189 806748100 /nfs/dbraw/zinc/74/81/00/806748100.db2.gz VEQCESQDTRHBCR-UWVGGRQHSA-N -1 0 322.383 -0.400 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001322689555 806768118 /nfs/dbraw/zinc/76/81/18/806768118.db2.gz ONVKVXYWWWMHKJ-MRVPVSSYSA-N -1 0 315.297 -0.910 20 0 DBADRM CO[C@H](CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1)C(F)(F)F ZINC001322826942 806787319 /nfs/dbraw/zinc/78/73/19/806787319.db2.gz FQISSSVRWSWOLO-HTQZYQBOSA-N -1 0 314.260 -0.236 20 0 DBADRM CC(=O)c1cc(NC(=O)C(=O)NCc2nnn[n-]2)ccc1F ZINC001322918279 806798974 /nfs/dbraw/zinc/79/89/74/806798974.db2.gz PQMUBOZWATZLHU-UHFFFAOYSA-N -1 0 306.257 -0.204 20 0 DBADRM COC(=O)[C@H]1CCC[C@@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001323116836 806825884 /nfs/dbraw/zinc/82/58/84/806825884.db2.gz FLFDDHBZXMFGIS-UWVGGRQHSA-N -1 0 309.322 -0.615 20 0 DBADRM C[C@H](O)CC(C)(C)CNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001323143086 806828974 /nfs/dbraw/zinc/82/89/74/806828974.db2.gz GMXGSTZBLDKDCT-QWRGUYRKSA-N -1 0 302.371 -0.016 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)O1 ZINC001323236218 806841175 /nfs/dbraw/zinc/84/11/75/806841175.db2.gz CBXPMYZAJNTCDQ-NXEZZACHSA-N -1 0 302.327 -0.662 20 0 DBADRM CS(=O)(=O)c1n[n-]c(NC(=O)c2nccn3ccnc23)n1 ZINC001323270777 806847993 /nfs/dbraw/zinc/84/79/93/806847993.db2.gz WZRSPPAVALNHSS-UHFFFAOYSA-N -1 0 307.295 -0.497 20 0 DBADRM C[C@H](CNC(=O)C(=O)[N-]OC[C@H]1CCOC1)Cn1cccn1 ZINC001323332055 806858450 /nfs/dbraw/zinc/85/84/50/806858450.db2.gz LSVDGQPSGFJNGK-NEPJUHHUSA-N -1 0 310.354 -0.280 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC001323404333 806869753 /nfs/dbraw/zinc/86/97/53/806869753.db2.gz QHRRUARJCXJTRS-GXFFZTMASA-N -1 0 318.395 -0.149 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1cnn(CC(F)(F)F)c1 ZINC001323443206 806874713 /nfs/dbraw/zinc/87/47/13/806874713.db2.gz ILKJKCBRTRKCHH-UHFFFAOYSA-N -1 0 324.259 -0.244 20 0 DBADRM O=C(CCCNC(=O)C1CC1)[N-]S(=O)(=O)Cc1ccon1 ZINC001323461059 806877022 /nfs/dbraw/zinc/87/70/22/806877022.db2.gz LWTHMMYFVXKLKB-UHFFFAOYSA-N -1 0 315.351 -0.073 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001323503519 806881320 /nfs/dbraw/zinc/88/13/20/806881320.db2.gz HTEQVJMHKBRGOI-INMOSUBGSA-N -1 0 304.290 -0.130 20 0 DBADRM CNS(=O)(=O)CCN1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879767736 806900750 /nfs/dbraw/zinc/90/07/50/806900750.db2.gz OBRXITHFRUJXGE-VIFPVBQESA-N -1 0 317.333 -0.322 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000879764159 806901334 /nfs/dbraw/zinc/90/13/34/806901334.db2.gz RTYNMKDCYWVUHT-HQJQHLMTSA-N -1 0 307.272 -0.066 20 0 DBADRM Cc1c(C(=O)[N-]N2CN=NC2=O)nnn1Cc1ccncc1 ZINC001323726037 806907741 /nfs/dbraw/zinc/90/77/41/806907741.db2.gz RWBLQOKMXSTQDL-UHFFFAOYSA-N -1 0 300.282 -0.289 20 0 DBADRM Cn1nnc2ccc(C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)cc21 ZINC001323812263 806918293 /nfs/dbraw/zinc/91/82/93/806918293.db2.gz VWJLMCCSXPHSKG-LLVKDONJSA-N -1 0 314.309 -0.305 20 0 DBADRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1nnn(C)n1 ZINC000880622552 806933695 /nfs/dbraw/zinc/93/36/95/806933695.db2.gz NUFYZPXUDPUMSG-RNFRBKRXSA-N -1 0 320.275 -0.118 20 0 DBADRM O=C(CN1CCCCS1(=O)=O)[N-]OCCN1CCCC1=O ZINC000880724666 806934635 /nfs/dbraw/zinc/93/46/35/806934635.db2.gz XSFODQIFXCLYCP-UHFFFAOYSA-N -1 0 319.383 -0.918 20 0 DBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001323998726 806936185 /nfs/dbraw/zinc/93/61/85/806936185.db2.gz CDUIXNCZPOJZJC-WDEREUQCSA-N -1 0 316.354 -0.225 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cccc(C(N)=O)n2)C1=O ZINC001324063554 806941576 /nfs/dbraw/zinc/94/15/76/806941576.db2.gz VLWCAQKXTZHDHY-CYBMUJFWSA-N -1 0 305.294 -0.454 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001324071397 806942502 /nfs/dbraw/zinc/94/25/02/806942502.db2.gz PJJFUAUYVLHVHI-ZYHUDNBSSA-N -1 0 316.354 -0.477 20 0 DBADRM C[C@@H](C1CC1)n1cc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cn1 ZINC001324223765 806953193 /nfs/dbraw/zinc/95/31/93/806953193.db2.gz HRJPABPEAQGRMY-ZETCQYMHSA-N -1 0 319.325 -0.067 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)[N-]OCC2CC2)cn1 ZINC001324312284 806962332 /nfs/dbraw/zinc/96/23/32/806962332.db2.gz KZLVATDNFNIXAV-UHFFFAOYSA-N -1 0 309.326 -0.632 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC1(C)OCCO1 ZINC000882034503 806962688 /nfs/dbraw/zinc/96/26/88/806962688.db2.gz TXQKXFOTYXJYIA-QGZVFWFLSA-N -1 0 301.390 -0.842 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCC(=O)NC(C)(C)C ZINC001324350618 806965802 /nfs/dbraw/zinc/96/58/02/806965802.db2.gz RBQWGOFLKIMFRS-UHFFFAOYSA-N -1 0 305.400 -0.182 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC001324383662 806969960 /nfs/dbraw/zinc/96/99/60/806969960.db2.gz ZNRPUSNWNQFBPI-UHFFFAOYSA-N -1 0 313.335 -0.257 20 0 DBADRM COCC(COC)[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000882238488 806973013 /nfs/dbraw/zinc/97/30/13/806973013.db2.gz VEFMHAKCJUVGIV-KRWDZBQOSA-N -1 0 303.406 -0.943 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)[N-]OCCSC ZINC001324652948 806997046 /nfs/dbraw/zinc/99/70/46/806997046.db2.gz YHMDBBUFDZKEEW-QMMMGPOBSA-N -1 0 312.413 -0.663 20 0 DBADRM Cn1cc(C(=O)[N-]N2CC(=O)NC2=O)c(-c2ccncc2)n1 ZINC001324685428 807000352 /nfs/dbraw/zinc/00/03/52/807000352.db2.gz FXRYFAWJOFYMKP-UHFFFAOYSA-N -1 0 300.278 -0.321 20 0 DBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001324740844 807003002 /nfs/dbraw/zinc/00/30/02/807003002.db2.gz GZIQWXCGVIFLIR-GHMZBOCLSA-N -1 0 313.354 -0.090 20 0 DBADRM Cn1cnc2c1nccc2C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001324741234 807003799 /nfs/dbraw/zinc/00/37/99/807003799.db2.gz FKURTVNNHOAUNC-SECBINFHSA-N -1 0 314.309 -0.305 20 0 DBADRM Cn1c2ccccc2n(CC(=O)NCc2nc(=O)o[n-]2)c1=O ZINC001324753454 807003844 /nfs/dbraw/zinc/00/38/44/807003844.db2.gz VETNREFHDMKQAJ-UHFFFAOYSA-N -1 0 303.278 -0.667 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1cc(F)c[nH]1 ZINC001035450668 814942594 /nfs/dbraw/zinc/94/25/94/814942594.db2.gz VPUBJFDPBXYPRX-SECBINFHSA-N -1 0 324.316 -0.392 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1cc(F)c[nH]1 ZINC001035450678 814942618 /nfs/dbraw/zinc/94/26/18/814942618.db2.gz VPUBJFDPBXYPRX-VIFPVBQESA-N -1 0 324.316 -0.392 20 0 DBADRM NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013269903 803748678 /nfs/dbraw/zinc/74/86/78/803748678.db2.gz FGLWRNNFMXEKQJ-SECBINFHSA-N -1 0 314.319 -0.271 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2ccccn2)o1 ZINC000031550803 803759637 /nfs/dbraw/zinc/75/96/37/803759637.db2.gz TVVZNXHIMYOQGL-UHFFFAOYSA-N -1 0 324.318 -0.343 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2COCCO2)ccc1O ZINC000038061215 803760310 /nfs/dbraw/zinc/76/03/10/803760310.db2.gz FKGRKRKLUNEJBA-QMMMGPOBSA-N -1 0 317.319 -0.216 20 0 DBADRM CC(C)CCN1CCn2c(nnc2C(=O)N=c2nn[n-]n2C)C1 ZINC001278174243 803764046 /nfs/dbraw/zinc/76/40/46/803764046.db2.gz ZZLPHQXJOKDTRF-UHFFFAOYSA-N -1 0 319.373 -0.663 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000048445684 803773860 /nfs/dbraw/zinc/77/38/60/803773860.db2.gz ZREOWOAQUIMEKU-ZETCQYMHSA-N -1 0 316.335 -0.188 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]NC(=O)NCC2CC2)c1Cl ZINC000049152691 803777150 /nfs/dbraw/zinc/77/71/50/803777150.db2.gz UENBJBVNVPXCHL-UHFFFAOYSA-N -1 0 307.763 -0.024 20 0 DBADRM C[C@]1(NC(=O)C(=O)NCC2CC2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001278434497 803793348 /nfs/dbraw/zinc/79/33/48/803793348.db2.gz QSXODFXTBLWVEL-AWEZNQCLSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000080974384 803796337 /nfs/dbraw/zinc/79/63/37/803796337.db2.gz ZTQDIZDRTGTYGY-LLVKDONJSA-N -1 0 316.317 -0.072 20 0 DBADRM Cc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000090275864 803800532 /nfs/dbraw/zinc/80/05/32/803800532.db2.gz PJZBVVKQOXZBML-CYBMUJFWSA-N -1 0 315.347 -0.036 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000090276335 803800670 /nfs/dbraw/zinc/80/06/70/803800670.db2.gz ICKLCCWPYUYZPK-WKEGUHRASA-N -1 0 312.244 -0.651 20 0 DBADRM CCOc1ccc(S(=O)(=O)NC[C@@H](O)CO)cc1C(=O)[O-] ZINC000090283403 803800696 /nfs/dbraw/zinc/80/06/96/803800696.db2.gz AJGKCDWAAHSDGX-MRVPVSSYSA-N -1 0 319.335 -0.585 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)NC2CC(O)C2)cc1 ZINC000091449551 803801965 /nfs/dbraw/zinc/80/19/65/803801965.db2.gz RWWBFLVPNMFLLZ-UHFFFAOYSA-N -1 0 301.320 -0.048 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)CCS(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC000125660938 803811798 /nfs/dbraw/zinc/81/17/98/803811798.db2.gz YCLZDFJNACSGIJ-BDAKNGLRSA-N -1 0 313.397 -0.454 20 0 DBADRM CCC(=O)N1CCCC[C@@H]1C(=O)NNc1nc(=O)c(C)n[n-]1 ZINC000141440300 803819014 /nfs/dbraw/zinc/81/90/14/803819014.db2.gz JLYODUXFDJVFOD-SECBINFHSA-N -1 0 308.342 -0.292 20 0 DBADRM CC(C)N(C)S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275362814 803834418 /nfs/dbraw/zinc/83/44/18/803834418.db2.gz XPVLOHIJDSMYSC-SNVBAGLBSA-N -1 0 304.372 -0.410 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2ccc(-c3nn[nH]n3)cc2)CCOC1 ZINC000315879944 803839042 /nfs/dbraw/zinc/83/90/42/803839042.db2.gz BQAUSNKOCVQQQZ-CYBMUJFWSA-N -1 0 303.278 -0.160 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000316932757 803839225 /nfs/dbraw/zinc/83/92/25/803839225.db2.gz WVKRSDGBMWELAN-WCBMZHEXSA-N -1 0 301.320 -0.642 20 0 DBADRM Cc1c[nH]c(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)n1 ZINC001035537683 814970034 /nfs/dbraw/zinc/97/00/34/814970034.db2.gz IJVLNBPGSCBIHH-VIFPVBQESA-N -1 0 321.341 -0.827 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC=CCC1 ZINC001278837482 803842512 /nfs/dbraw/zinc/84/25/12/803842512.db2.gz FCUFOOAAMVNEKU-SNVBAGLBSA-N -1 0 307.354 -0.471 20 0 DBADRM CN1CC[C@H](N=c2ccc(C(=O)NC3CCOCC3)n[n-]2)C1=O ZINC000351588611 803846032 /nfs/dbraw/zinc/84/60/32/803846032.db2.gz WPHYHNWIBCZOGZ-LBPRGKRZSA-N -1 0 319.365 -0.550 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC2CS(=O)(=O)C2)ccc1O ZINC000379922865 803852286 /nfs/dbraw/zinc/85/22/86/803852286.db2.gz RFFLOUJUDKVCMR-UHFFFAOYSA-N -1 0 321.332 -0.834 20 0 DBADRM NC(=O)C1CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1 ZINC000381960229 803852816 /nfs/dbraw/zinc/85/28/16/803852816.db2.gz DMJAHWYIKCOSNG-UHFFFAOYSA-N -1 0 302.283 -0.370 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000382578509 803854842 /nfs/dbraw/zinc/85/48/42/803854842.db2.gz WQHQKABODCMLHC-LLVKDONJSA-N -1 0 306.340 -0.601 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000386410920 803855364 /nfs/dbraw/zinc/85/53/64/803855364.db2.gz GATDUMNFRRYKNR-GFCCVEGCSA-N -1 0 311.319 -0.227 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCC(OC)(C(=O)[O-])CC1 ZINC000385018747 803855841 /nfs/dbraw/zinc/85/58/41/803855841.db2.gz WKIUKOYFNARPGF-UHFFFAOYSA-N -1 0 323.367 -0.165 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@H](CO)[C@@H](C)O)cc1C(=O)[O-] ZINC000387486760 803856988 /nfs/dbraw/zinc/85/69/88/803856988.db2.gz XRSFSTXATSCEBX-LDYMZIIASA-N -1 0 303.336 -0.287 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2COCCO2)C1 ZINC000387370607 803857116 /nfs/dbraw/zinc/85/71/16/803857116.db2.gz YXOOJBHTNZLLHI-MFKMUULPSA-N -1 0 302.327 -0.466 20 0 DBADRM O=c1nc(CCNS(=O)(=O)c2ccc(Cl)nc2)[n-]o1 ZINC000392304327 803859099 /nfs/dbraw/zinc/85/90/99/803859099.db2.gz KOUYZIYGUUZHRU-UHFFFAOYSA-N -1 0 304.715 -0.068 20 0 DBADRM N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CO[N-]C2=O)c1 ZINC000393836007 803860102 /nfs/dbraw/zinc/86/01/02/803860102.db2.gz MAZRUAFJRXXARH-MRVPVSSYSA-N -1 0 301.711 -0.080 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N[C@]2(CO)CCOC2)c1 ZINC000393882922 803860407 /nfs/dbraw/zinc/86/04/07/803860407.db2.gz MEODZWBQGZYEQN-LBPRGKRZSA-N -1 0 319.310 -0.046 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@]2(CO)CCOC2)cc1 ZINC000393873924 803860489 /nfs/dbraw/zinc/86/04/89/803860489.db2.gz TUWHVYRNDVSPMM-GFCCVEGCSA-N -1 0 301.320 -0.186 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)CCOCC(F)(F)F)CC1 ZINC000396618976 803861302 /nfs/dbraw/zinc/86/13/02/803861302.db2.gz ACWYQNAXSLYTBM-UHFFFAOYSA-N -1 0 312.244 -0.289 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000396729270 803862008 /nfs/dbraw/zinc/86/20/08/803862008.db2.gz CQYJAAANOJQBJZ-LBPRGKRZSA-N -1 0 304.302 -0.255 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)CSc2ccncc2)CC1 ZINC000396680721 803862107 /nfs/dbraw/zinc/86/21/07/803862107.db2.gz WJKVYMVMIVVXEF-UHFFFAOYSA-N -1 0 309.347 -0.071 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC000396899394 803862186 /nfs/dbraw/zinc/86/21/86/803862186.db2.gz VSGGESDUFJHSHI-GXSJLCMTSA-N -1 0 315.347 -0.251 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000396672713 803862302 /nfs/dbraw/zinc/86/23/02/803862302.db2.gz ZUDCYFWVHGVSBQ-UHFFFAOYSA-N -1 0 308.338 -0.665 20 0 DBADRM Cn1nnc(C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)n1 ZINC000398142888 803863072 /nfs/dbraw/zinc/86/30/72/803863072.db2.gz KGFOIWZCYBTUJO-UHFFFAOYSA-N -1 0 306.710 -0.124 20 0 DBADRM Cn1nnc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000398162134 803863567 /nfs/dbraw/zinc/86/35/67/803863567.db2.gz QYHPBDRTVWKHPM-UHFFFAOYSA-N -1 0 316.274 -0.264 20 0 DBADRM CN(C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C(=O)[O-] ZINC000400123957 803864179 /nfs/dbraw/zinc/86/41/79/803864179.db2.gz NDJAHBSMQSRWCB-SECBINFHSA-N -1 0 321.399 -0.085 20 0 DBADRM CS(=O)(=O)N1CC[C@H](N=c2ccc(OC(F)F)n[n-]2)C1 ZINC000400107043 803864312 /nfs/dbraw/zinc/86/43/12/803864312.db2.gz DCXNPMPUEOSPFN-ZETCQYMHSA-N -1 0 308.310 -0.054 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000399198219 803864467 /nfs/dbraw/zinc/86/44/67/803864467.db2.gz BJTDUQPOWPNLIK-UHFFFAOYSA-N -1 0 304.368 -0.409 20 0 DBADRM NC(=O)Cn1ccc(=NC(=O)c2cc3c(cc2[O-])OCO3)[nH]1 ZINC000436547348 803869363 /nfs/dbraw/zinc/86/93/63/803869363.db2.gz JYCXHFQQOGUNJX-UHFFFAOYSA-N -1 0 304.262 -0.523 20 0 DBADRM O=C(NC[C@H]1CN2CCN1CC2)c1cc2c(cc1O)OCO2 ZINC000436601463 803870084 /nfs/dbraw/zinc/87/00/84/803870084.db2.gz HZEWALIKAITRHJ-JTQLQIEISA-N -1 0 305.334 -0.150 20 0 DBADRM O=S(=O)([N-]c1cnc(N2CCOCC2)nc1)c1c[nH]cn1 ZINC000585430925 803878226 /nfs/dbraw/zinc/87/82/26/803878226.db2.gz QOJPVSJCXJPPPX-UHFFFAOYSA-N -1 0 310.339 -0.163 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]c2cnc(N3CCOCC3)nc2)c1 ZINC000585430509 803878282 /nfs/dbraw/zinc/87/82/82/803878282.db2.gz MAEVADFVUMJFIQ-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)C1 ZINC000650423820 803898329 /nfs/dbraw/zinc/89/83/29/803898329.db2.gz GTWPFTKXSFSWSN-JOYOIKCWSA-N -1 0 322.383 -0.784 20 0 DBADRM COc1ccc(F)cc1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC000650389271 803898433 /nfs/dbraw/zinc/89/84/33/803898433.db2.gz BGSOJPCJGWAOKR-MRVPVSSYSA-N -1 0 307.299 -0.052 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000650418444 803898752 /nfs/dbraw/zinc/89/87/52/803898752.db2.gz MNTZILXGVQSYCA-CBAPKCEASA-N -1 0 304.328 -0.927 20 0 DBADRM O=C([O-])[C@H](Cc1ncccn1)NS(=O)(=O)N1CCCCC1 ZINC000650429264 803898764 /nfs/dbraw/zinc/89/87/64/803898764.db2.gz HKCJNZCQFFOYHQ-JTQLQIEISA-N -1 0 314.367 -0.207 20 0 DBADRM O=C([O-])[C@@H](Cc1ncccn1)NS(=O)(=O)N1CCCC1 ZINC000650429362 803899000 /nfs/dbraw/zinc/89/90/00/803899000.db2.gz KKMDLGMGIWNHKX-SECBINFHSA-N -1 0 300.340 -0.598 20 0 DBADRM COc1cccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000650418577 803899017 /nfs/dbraw/zinc/89/90/17/803899017.db2.gz DIMVXZNLBZDZRE-UHFFFAOYSA-N -1 0 316.335 -0.436 20 0 DBADRM O=C(Cc1ncc[nH]1)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001279661475 803905769 /nfs/dbraw/zinc/90/57/69/803905769.db2.gz QKIWVARXBLLTGE-UHFFFAOYSA-N -1 0 317.353 -0.276 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)C2CC(C(=O)[O-])C2)C1 ZINC000683339759 803905950 /nfs/dbraw/zinc/90/59/50/803905950.db2.gz QBIXIDLUEFPGFY-RTBKNWGFSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)CCS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000693468902 803908831 /nfs/dbraw/zinc/90/88/31/803908831.db2.gz GQMGBJMALHFQFE-IUCAKERBSA-N -1 0 313.397 -0.597 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1c[nH]nc1C ZINC000692337850 803908841 /nfs/dbraw/zinc/90/88/41/803908841.db2.gz VVYHTZJMYBFFFJ-LLVKDONJSA-N -1 0 303.340 -0.028 20 0 DBADRM CO[C@]1(C(=O)[O-])CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000697301834 803911944 /nfs/dbraw/zinc/91/19/44/803911944.db2.gz HZKXYVBVIGUNQL-LLVKDONJSA-N -1 0 308.356 -0.871 20 0 DBADRM C[C@H]1CC(=O)NCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000707290315 803917490 /nfs/dbraw/zinc/91/74/90/803917490.db2.gz WVOADHRMZSSLON-ZETCQYMHSA-N -1 0 301.324 -0.388 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)cn1 ZINC000711548655 803920517 /nfs/dbraw/zinc/92/05/17/803920517.db2.gz VEIUHRKPQUJPTI-DTORHVGOSA-N -1 0 317.392 -0.049 20 0 DBADRM CCN(CC)S(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000715877533 803923482 /nfs/dbraw/zinc/92/34/82/803923482.db2.gz DGNRNABHKTVVSJ-CMPLNLGQSA-N -1 0 306.384 -0.004 20 0 DBADRM CC(C)(CNS(=O)(=O)CCS(C)(=O)=O)CC(=O)[O-] ZINC000720845885 803927541 /nfs/dbraw/zinc/92/75/41/803927541.db2.gz AIJSHIUOFDRFAU-UHFFFAOYSA-N -1 0 301.386 -0.549 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CSc1nnnn1CC(F)(F)F ZINC000730071193 803931081 /nfs/dbraw/zinc/93/10/81/803931081.db2.gz MCVAMBAXVWSRPF-UHFFFAOYSA-N -1 0 319.290 -0.597 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1=O ZINC000737830695 803935790 /nfs/dbraw/zinc/93/57/90/803935790.db2.gz JZAUICKVNBXXDP-VIFPVBQESA-N -1 0 318.337 -0.803 20 0 DBADRM COC(=O)CNC(=O)Cn1nnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000737620627 803936396 /nfs/dbraw/zinc/93/63/96/803936396.db2.gz BKXNNLQICSOMGS-UHFFFAOYSA-N -1 0 319.277 -0.673 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000738758447 803938096 /nfs/dbraw/zinc/93/80/96/803938096.db2.gz UYNZWOZMUBVYFG-LLVKDONJSA-N -1 0 315.370 -0.720 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000738809124 803938361 /nfs/dbraw/zinc/93/83/61/803938361.db2.gz XIGBMBSSEFDBPL-VIFPVBQESA-N -1 0 312.326 -0.253 20 0 DBADRM C[C@H](NC(=O)CN1CC[C@H](CNC(=O)[O-])C1)C(=O)N(C)C ZINC000738962946 803938536 /nfs/dbraw/zinc/93/85/36/803938536.db2.gz UWZRWWNYTOZEBD-VHSXEESVSA-N -1 0 300.359 -0.831 20 0 DBADRM O=C([O-])CN(C(=O)C1CCC2(CC1)NC(=O)NC2=O)C1CC1 ZINC000738598889 803938978 /nfs/dbraw/zinc/93/89/78/803938978.db2.gz OPLCXIWNERFNLI-UHFFFAOYSA-N -1 0 309.322 -0.170 20 0 DBADRM C[C@@H]1CN(C(=S)NCCS(C)(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739171160 803939658 /nfs/dbraw/zinc/93/96/58/803939658.db2.gz HBEGXZYIEVBXJF-RKDXNWHRSA-N -1 0 323.440 -0.117 20 0 DBADRM CN(CCNC(=O)[C@H](Cc1ccccc1)NC(N)=O)C(=O)[O-] ZINC000739689664 803941488 /nfs/dbraw/zinc/94/14/88/803941488.db2.gz JANRCCYUJBGCIG-NSHDSACASA-N -1 0 308.338 -0.008 20 0 DBADRM COCCN1C[C@H](C(=O)N(C)[C@H](C)CNC(=O)[O-])CC1=O ZINC000739829932 803942652 /nfs/dbraw/zinc/94/26/52/803942652.db2.gz SMTKYKOAAREGBY-NXEZZACHSA-N -1 0 301.343 -0.404 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000740006693 803943658 /nfs/dbraw/zinc/94/36/58/803943658.db2.gz QUZUTJMYNYTJOF-MQJDWESPSA-N -1 0 317.411 -0.491 20 0 DBADRM CNC(=O)CC(=O)N[C@@H](C)[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001280270877 803944351 /nfs/dbraw/zinc/94/43/51/803944351.db2.gz NRJBFAWOLUIQLX-BQBZGAKWSA-N -1 0 311.342 -0.817 20 0 DBADRM O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1cc(=O)[nH][n-]1 ZINC000740142678 803944515 /nfs/dbraw/zinc/94/45/15/803944515.db2.gz VJSXSDUQMLBOPR-VIFPVBQESA-N -1 0 314.301 -0.294 20 0 DBADRM NS(=O)(=O)c1cnc(N2CCCN(C(=O)[O-])CC2)s1 ZINC000740342268 803945611 /nfs/dbraw/zinc/94/56/11/803945611.db2.gz JZDHBTHZSZCHPC-UHFFFAOYSA-N -1 0 306.369 -0.019 20 0 DBADRM Cn1cc(C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000740285280 803946214 /nfs/dbraw/zinc/94/62/14/803946214.db2.gz WYYPGUNAZLKKQA-QMMMGPOBSA-N -1 0 310.310 -0.394 20 0 DBADRM CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1cc(=O)[nH][n-]1 ZINC000743415512 803980366 /nfs/dbraw/zinc/98/03/66/803980366.db2.gz DOTPNAVXODTEPQ-JTQLQIEISA-N -1 0 313.354 -0.073 20 0 DBADRM Cc1cnoc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035565791 814984615 /nfs/dbraw/zinc/98/46/15/814984615.db2.gz BTEWILMYJZVDIG-VIFPVBQESA-N -1 0 322.325 -0.562 20 0 DBADRM CC(C)[C@@H](CCN(C)C(=O)CC(N)=O)NC(=O)c1cn[nH]n1 ZINC001280570092 803982447 /nfs/dbraw/zinc/98/24/47/803982447.db2.gz BKRLEXHDFDUNKP-SECBINFHSA-N -1 0 310.358 -0.717 20 0 DBADRM CN(C)C(=O)c1cccc(CCNC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000743597554 803983158 /nfs/dbraw/zinc/98/31/58/803983158.db2.gz IIDDBBKLUNEFRE-UHFFFAOYSA-N -1 0 302.334 -0.077 20 0 DBADRM NC(=O)Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2)nn1 ZINC000744014859 803984952 /nfs/dbraw/zinc/98/49/52/803984952.db2.gz YVFKPBLDIHBATN-UHFFFAOYSA-N -1 0 323.334 -0.977 20 0 DBADRM Cc1cccc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)c1 ZINC000744007825 803985593 /nfs/dbraw/zinc/98/55/93/803985593.db2.gz UIRRSXJAQZYSQH-UHFFFAOYSA-N -1 0 323.334 -0.809 20 0 DBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)CCOC)c1 ZINC000744124742 803987445 /nfs/dbraw/zinc/98/74/45/803987445.db2.gz DLIFIJKFEVEWSP-UHFFFAOYSA-N -1 0 300.336 -0.248 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)c(C)c1 ZINC000744241579 803988237 /nfs/dbraw/zinc/98/82/37/803988237.db2.gz JNQBKRYZJQRWEA-UHFFFAOYSA-N -1 0 324.366 -0.103 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C1CCCC1 ZINC000744241887 803988421 /nfs/dbraw/zinc/98/84/21/803988421.db2.gz PCNSDGARGJHLRM-LLVKDONJSA-N -1 0 305.400 -0.006 20 0 DBADRM O=C([N-]S(=O)(=O)CCOc1ccccc1)[C@H]1COCCO1 ZINC000744298301 803988625 /nfs/dbraw/zinc/98/86/25/803988625.db2.gz UZRDZUWYRGMDSH-GFCCVEGCSA-N -1 0 315.347 -0.073 20 0 DBADRM CC[C@@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)N1CCCC1=O ZINC000746236631 804012654 /nfs/dbraw/zinc/01/26/54/804012654.db2.gz KPLHWEUQQNHLDK-UWVGGRQHSA-N -1 0 308.342 -0.499 20 0 DBADRM Cc1cc(C(=O)NCCNC(N)=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000746271748 804013245 /nfs/dbraw/zinc/01/32/45/804013245.db2.gz BUUWHCGXBUFBHN-UHFFFAOYSA-N -1 0 306.282 -0.857 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000747118294 804024530 /nfs/dbraw/zinc/02/45/30/804024530.db2.gz ORAPTMWQVPEXMB-UHFFFAOYSA-N -1 0 313.397 -0.706 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)N2CCCC2)C1 ZINC000747110274 804024626 /nfs/dbraw/zinc/02/46/26/804024626.db2.gz UFHVSBZZWANOLJ-LBPRGKRZSA-N -1 0 303.384 -0.298 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)CCCF ZINC000747134755 804024698 /nfs/dbraw/zinc/02/46/98/804024698.db2.gz AMUZFKIMTMMVQP-UHFFFAOYSA-N -1 0 316.376 -0.782 20 0 DBADRM O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1ccon1 ZINC000747183458 804025768 /nfs/dbraw/zinc/02/57/68/804025768.db2.gz FNOQKDHFNLBUEE-JTQLQIEISA-N -1 0 304.324 -0.184 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)o2)cn1 ZINC000747246985 804026139 /nfs/dbraw/zinc/02/61/39/804026139.db2.gz YNEVKEPMCZTULN-UHFFFAOYSA-N -1 0 312.307 -0.286 20 0 DBADRM O=C(CCNC(=O)OCC(F)(F)F)NCc1n[nH]c(=O)[n-]1 ZINC000748056607 804034701 /nfs/dbraw/zinc/03/47/01/804034701.db2.gz BQAUMZKKKAEOLG-UHFFFAOYSA-N -1 0 311.220 -0.195 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC(OCC(F)F)C1 ZINC000748423346 804038665 /nfs/dbraw/zinc/03/86/65/804038665.db2.gz LMPRHJMLNMLNOR-UHFFFAOYSA-N -1 0 313.264 -0.436 20 0 DBADRM CC(C)COC[C@H](O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000748403849 804038914 /nfs/dbraw/zinc/03/89/14/804038914.db2.gz BDIDTODHKBAYOA-SNVBAGLBSA-N -1 0 323.353 -0.779 20 0 DBADRM COCCO[N-]C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000748769385 804043185 /nfs/dbraw/zinc/04/31/85/804043185.db2.gz MZYVNACNSHHVET-UHFFFAOYSA-N -1 0 322.115 -0.594 20 0 DBADRM CC(C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000749070079 804046638 /nfs/dbraw/zinc/04/66/38/804046638.db2.gz GREDNGULFALZNY-SECBINFHSA-N -1 0 312.413 -0.488 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cnn(CC)c1 ZINC000749227324 804047422 /nfs/dbraw/zinc/04/74/22/804047422.db2.gz MOKNQDQIDYYKML-MRVPVSSYSA-N -1 0 302.356 -0.377 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnn(CC)c1 ZINC000749227325 804047780 /nfs/dbraw/zinc/04/77/80/804047780.db2.gz MOKNQDQIDYYKML-QMMMGPOBSA-N -1 0 302.356 -0.377 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cccc2c1OCO2 ZINC000750727379 804064348 /nfs/dbraw/zinc/06/43/48/804064348.db2.gz YKQPOZUYCTXZNB-UHFFFAOYSA-N -1 0 314.319 -0.278 20 0 DBADRM CCc1c(C(=O)[N-]S(=O)(=O)N2CCOCC2)cnn1C ZINC000750727628 804064384 /nfs/dbraw/zinc/06/43/84/804064384.db2.gz ZQQNXOIPXBMCCL-UHFFFAOYSA-N -1 0 302.356 -0.711 20 0 DBADRM Cc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750732237 804064428 /nfs/dbraw/zinc/06/44/28/804064428.db2.gz QTGUAGWBZTWQKT-UHFFFAOYSA-N -1 0 322.774 -0.311 20 0 DBADRM NC(=O)c1cccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000750731751 804064476 /nfs/dbraw/zinc/06/44/76/804064476.db2.gz PFZKVDQPPVCSBL-UHFFFAOYSA-N -1 0 313.335 -0.908 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000751573094 804077642 /nfs/dbraw/zinc/07/76/42/804077642.db2.gz OXANYQBRDPVQJW-MRVPVSSYSA-N -1 0 310.310 -0.554 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000752915359 804095545 /nfs/dbraw/zinc/09/55/45/804095545.db2.gz PPHMCLDEULFXAJ-NXEZZACHSA-N -1 0 310.383 -0.173 20 0 DBADRM COC(=O)c1cccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000753945159 804112689 /nfs/dbraw/zinc/11/26/89/804112689.db2.gz LNSCBEUSHXIVCM-UHFFFAOYSA-N -1 0 300.292 -0.982 20 0 DBADRM CC1=NN(c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000753945311 804112855 /nfs/dbraw/zinc/11/28/55/804112855.db2.gz NFPANDILBRQHIO-UHFFFAOYSA-N -1 0 324.362 -0.183 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1SCCc2ccccc21 ZINC000753949856 804113910 /nfs/dbraw/zinc/11/39/10/804113910.db2.gz JMTIVJJXIXKNCZ-NSHDSACASA-N -1 0 314.388 -0.052 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)[N-]OCc2ccc(F)cc2)C1=O ZINC000754724665 804124515 /nfs/dbraw/zinc/12/45/15/804124515.db2.gz SSPGWFAFUYKCFP-UHFFFAOYSA-N -1 0 309.253 -0.206 20 0 DBADRM CN(C[C@@H]1CCC[C@@H]1O)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000755234280 804134628 /nfs/dbraw/zinc/13/46/28/804134628.db2.gz ZCLIXROASJFFQT-ONGXEEELSA-N -1 0 305.338 -0.309 20 0 DBADRM CC(C)(C)[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(N)=O ZINC000755361229 804135440 /nfs/dbraw/zinc/13/54/40/804135440.db2.gz KUMCWLZRXNJGPN-SECBINFHSA-N -1 0 306.326 -0.913 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCOC2)cc1C(N)=O ZINC000755580387 804139063 /nfs/dbraw/zinc/13/90/63/804139063.db2.gz AKORINRAPJCLCP-LBPRGKRZSA-N -1 0 315.351 -0.645 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC)cn1 ZINC000755713798 804140280 /nfs/dbraw/zinc/14/02/80/804140280.db2.gz XIFLIPDBQAFOKU-NSHDSACASA-N -1 0 316.383 -0.571 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC)cn1 ZINC000755713796 804140528 /nfs/dbraw/zinc/14/05/28/804140528.db2.gz XIFLIPDBQAFOKU-LLVKDONJSA-N -1 0 316.383 -0.571 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CCc1ccncn1 ZINC000755783207 804140710 /nfs/dbraw/zinc/14/07/10/804140710.db2.gz RYUQSGQQTZNGLE-UHFFFAOYSA-N -1 0 315.351 -0.192 20 0 DBADRM CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000756284179 804147761 /nfs/dbraw/zinc/14/77/61/804147761.db2.gz XZARYICADGORTF-JTQLQIEISA-N -1 0 306.384 -0.130 20 0 DBADRM COCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000756506210 804150781 /nfs/dbraw/zinc/15/07/81/804150781.db2.gz VJFXXBZPKRKEQF-UHFFFAOYSA-N -1 0 317.367 -0.399 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cs1 ZINC000757317470 804161533 /nfs/dbraw/zinc/16/15/33/804161533.db2.gz RLIFJTFASXNHMT-UHFFFAOYSA-N -1 0 321.380 -0.600 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1OC ZINC000757329409 804161669 /nfs/dbraw/zinc/16/16/69/804161669.db2.gz BMEPYBIFMZGIGF-UHFFFAOYSA-N -1 0 320.371 -0.710 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C ZINC000757326255 804161768 /nfs/dbraw/zinc/16/17/68/804161768.db2.gz VITDJINWMGSOGE-UHFFFAOYSA-N -1 0 309.388 -0.912 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cn2ccccc2n1 ZINC000757320646 804162061 /nfs/dbraw/zinc/16/20/61/804162061.db2.gz RQEBKFVPEUXFJA-UHFFFAOYSA-N -1 0 312.351 -0.113 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)COC[C@H]1CCCO1 ZINC000757335552 804162787 /nfs/dbraw/zinc/16/27/87/804162787.db2.gz RATQSPMYAZOXQP-SNVBAGLBSA-N -1 0 310.372 -0.879 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1 ZINC000757336380 804162811 /nfs/dbraw/zinc/16/28/11/804162811.db2.gz UCAIWTPUCUXTJZ-UHFFFAOYSA-N -1 0 315.351 -0.662 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cccc2c1oc(=O)n2C ZINC000757442751 804163491 /nfs/dbraw/zinc/16/34/91/804163491.db2.gz HNNNQIQKHBXCGZ-UHFFFAOYSA-N -1 0 314.319 -0.163 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCCCCNC(C)=O ZINC000757335401 804163543 /nfs/dbraw/zinc/16/35/43/804163543.db2.gz NEEZPWVDHMIZDF-UHFFFAOYSA-N -1 0 323.415 -0.378 20 0 DBADRM O=C([C@H]1CCCc2n[nH]cc21)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000758220614 804175969 /nfs/dbraw/zinc/17/59/69/804175969.db2.gz JIGCUIOSCJHCSJ-KWQFWETISA-N -1 0 303.326 -0.057 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)c1n[n-]c2ccccc2c1=O ZINC000758299516 804176991 /nfs/dbraw/zinc/17/69/91/804176991.db2.gz SXRLOLVCCCMAMI-UHFFFAOYSA-N -1 0 303.278 -0.350 20 0 DBADRM CCS(=O)(=O)CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000758264708 804177884 /nfs/dbraw/zinc/17/78/84/804177884.db2.gz LSFPFFXNEUFDOH-UHFFFAOYSA-N -1 0 318.317 -0.006 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC000758352746 804180989 /nfs/dbraw/zinc/18/09/89/804180989.db2.gz SOKBVZBRBQZQDL-UHFFFAOYSA-N -1 0 305.400 -0.004 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000758525273 804188970 /nfs/dbraw/zinc/18/89/70/804188970.db2.gz LHSSHZPTWWSTMX-JTQLQIEISA-N -1 0 317.367 -0.349 20 0 DBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cnccn2)c1 ZINC000758575912 804190979 /nfs/dbraw/zinc/19/09/79/804190979.db2.gz BYWSJUXQUNLBPM-UHFFFAOYSA-N -1 0 320.330 -0.045 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758578601 804190991 /nfs/dbraw/zinc/19/09/91/804190991.db2.gz PMQBHPJVDPVYFU-UHFFFAOYSA-N -1 0 309.351 -0.125 20 0 DBADRM Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)c3cnccn3)c2n1 ZINC000758580016 804191096 /nfs/dbraw/zinc/19/10/96/804191096.db2.gz ZIRNGGGZGFKSAP-UHFFFAOYSA-N -1 0 318.318 -0.054 20 0 DBADRM C[C@H](CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)S(C)(=O)=O ZINC000758864548 804196578 /nfs/dbraw/zinc/19/65/78/804196578.db2.gz UBRWXBYNLRCFIS-ZCFIWIBFSA-N -1 0 318.317 -0.007 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCc1nc(N)nc(N)n1 ZINC000759117998 804199278 /nfs/dbraw/zinc/19/92/78/804199278.db2.gz CJNJZAFYARYGDW-UHFFFAOYSA-N -1 0 322.247 -0.464 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000759181539 804200146 /nfs/dbraw/zinc/20/01/46/804200146.db2.gz CYVSPGXZLDLNLE-UHFFFAOYSA-N -1 0 314.363 -0.263 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000759166615 804200156 /nfs/dbraw/zinc/20/01/56/804200156.db2.gz IMFOZLNCJYCWDV-UHFFFAOYSA-N -1 0 314.363 -0.095 20 0 DBADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CN(C)C(=O)COC ZINC000759332518 804201223 /nfs/dbraw/zinc/20/12/23/804201223.db2.gz FEBGMHCZIMKAQJ-JTQLQIEISA-N -1 0 308.400 -0.027 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000759445575 804203143 /nfs/dbraw/zinc/20/31/43/804203143.db2.gz HXRUPBGZGGTFEC-UHFFFAOYSA-N -1 0 306.365 -0.342 20 0 DBADRM CC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759517586 804203686 /nfs/dbraw/zinc/20/36/86/804203686.db2.gz DCXAKAZJFNRTDO-ZCFIWIBFSA-N -1 0 322.368 -0.274 20 0 DBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C)s1 ZINC000759512645 804204275 /nfs/dbraw/zinc/20/42/75/804204275.db2.gz ZANADZHJYUWANP-XINAWCOVSA-N -1 0 304.353 -0.043 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)cn1 ZINC000759827891 804210651 /nfs/dbraw/zinc/21/06/51/804210651.db2.gz BOSSKFONOKHPIA-SECBINFHSA-N -1 0 302.308 -0.690 20 0 DBADRM COC(=O)c1coc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1 ZINC000759843915 804211153 /nfs/dbraw/zinc/21/11/53/804211153.db2.gz KFHBIRAWJSTCOQ-VIFPVBQESA-N -1 0 307.266 -0.207 20 0 DBADRM COC[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)C(N)=O ZINC000760081382 804218865 /nfs/dbraw/zinc/21/88/65/804218865.db2.gz XAJUKGJDDLCLDS-JTQLQIEISA-N -1 0 315.351 -0.712 20 0 DBADRM COC[C@@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)C(N)=O ZINC000760081383 804219382 /nfs/dbraw/zinc/21/93/82/804219382.db2.gz XAJUKGJDDLCLDS-SNVBAGLBSA-N -1 0 315.351 -0.712 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]c2cc(C(N)=O)[nH]n2)c1Cl ZINC000760153702 804221435 /nfs/dbraw/zinc/22/14/35/804221435.db2.gz LQZYIOVFPQUUGR-UHFFFAOYSA-N -1 0 304.719 -0.304 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCCS(N)(=O)=O ZINC000760144319 804221654 /nfs/dbraw/zinc/22/16/54/804221654.db2.gz GHPZIORWPSXXSY-UHFFFAOYSA-N -1 0 319.305 -0.762 20 0 DBADRM COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)N2CCCC2)c1 ZINC000760201616 804222130 /nfs/dbraw/zinc/22/21/30/804222130.db2.gz MRJNJLRVHOVLEN-UHFFFAOYSA-N -1 0 313.335 -0.061 20 0 DBADRM Cn1cc(-n2cc(C(=O)OCc3n[nH]c(=O)[n-]3)ccc2=O)cn1 ZINC000760840594 804229679 /nfs/dbraw/zinc/22/96/79/804229679.db2.gz JDEPPZKWIYCJDN-UHFFFAOYSA-N -1 0 316.277 -0.248 20 0 DBADRM CCOC(=O)C[C@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000761027961 804231593 /nfs/dbraw/zinc/23/15/93/804231593.db2.gz CJODEBJJWLIMDM-VIFPVBQESA-N -1 0 321.337 -0.223 20 0 DBADRM Cc1cc(F)c(S(=O)(=O)N[C@@H](C)C(N)=O)cc1C(=O)[O-] ZINC000761242854 804236867 /nfs/dbraw/zinc/23/68/67/804236867.db2.gz UFICUCRWPOPCTI-LURJTMIESA-N -1 0 304.299 -0.016 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762132714 804244466 /nfs/dbraw/zinc/24/44/66/804244466.db2.gz LVITYZLITDDDRM-QMMMGPOBSA-N -1 0 315.351 -0.780 20 0 DBADRM Cc1c[nH]cc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035611210 815002650 /nfs/dbraw/zinc/00/26/50/815002650.db2.gz XUNYFEDORGRYJD-JTQLQIEISA-N -1 0 320.353 -0.222 20 0 DBADRM COc1ncc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cn1 ZINC000762131487 804244723 /nfs/dbraw/zinc/24/47/23/804244723.db2.gz WSAPHEYAJMQWMQ-QMMMGPOBSA-N -1 0 301.324 -0.419 20 0 DBADRM NC(=O)c1cccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)c1 ZINC000762135745 804244852 /nfs/dbraw/zinc/24/48/52/804244852.db2.gz YZKYUNFWWHHDHF-SECBINFHSA-N -1 0 312.347 -0.118 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1)C(=O)C1CC1 ZINC000762133915 804244866 /nfs/dbraw/zinc/24/48/66/804244866.db2.gz OLNTUXVAEQTHQZ-SECBINFHSA-N -1 0 304.368 -0.663 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1ccc2nncn2c1 ZINC000762139627 804244893 /nfs/dbraw/zinc/24/48/93/804244893.db2.gz NFBKWYPIXDBZMK-VIFPVBQESA-N -1 0 310.335 -0.175 20 0 DBADRM Cc1c[nH]cc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035611212 815002779 /nfs/dbraw/zinc/00/27/79/815002779.db2.gz XUNYFEDORGRYJD-SNVBAGLBSA-N -1 0 320.353 -0.222 20 0 DBADRM O=C(Cn1cc(NC(=O)NCc2n[nH]c(=O)[n-]2)cn1)NC1CC1 ZINC000762220138 804245739 /nfs/dbraw/zinc/24/57/39/804245739.db2.gz HKTXDYIGOVPKFV-UHFFFAOYSA-N -1 0 320.313 -0.693 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000762636776 804252584 /nfs/dbraw/zinc/25/25/84/804252584.db2.gz UAYUDZNQJPJSQP-UHFFFAOYSA-N -1 0 303.340 -0.186 20 0 DBADRM COC(=O)c1cn([C@@H]2CCCN(C(=O)c3cc(=O)[nH][n-]3)C2)nn1 ZINC000762817676 804255370 /nfs/dbraw/zinc/25/53/70/804255370.db2.gz JCLKSZMLHUFCLH-MRVPVSSYSA-N -1 0 320.309 -0.896 20 0 DBADRM CS/C=C/C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000762961677 804258185 /nfs/dbraw/zinc/25/81/85/804258185.db2.gz OZYZNDBCKIXXRI-ONEGZZNKSA-N -1 0 303.365 -0.194 20 0 DBADRM CO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000762970743 804258862 /nfs/dbraw/zinc/25/88/62/804258862.db2.gz DJEDFOHZJXMQJC-ZETCQYMHSA-N -1 0 301.324 -0.870 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000763015405 804259412 /nfs/dbraw/zinc/25/94/12/804259412.db2.gz ZKXCTQANXWZJBN-ONGXEEELSA-N -1 0 306.384 -0.069 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cc[n+]([O-])cc2)nc1C ZINC000763280600 804265522 /nfs/dbraw/zinc/26/55/22/804265522.db2.gz DKJSGVIWACANGS-UHFFFAOYSA-N -1 0 310.335 -0.036 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc2c[nH]nc21 ZINC000763443819 804267644 /nfs/dbraw/zinc/26/76/44/804267644.db2.gz FOAUFUWRMBCEKZ-UHFFFAOYSA-N -1 0 310.335 -0.241 20 0 DBADRM CC(C)=CC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001282322745 804267591 /nfs/dbraw/zinc/26/75/91/804267591.db2.gz TVTRGTBSPXETEE-ZJUUUORDSA-N -1 0 323.353 -0.239 20 0 DBADRM C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)N1CCSCC1 ZINC000763443828 804267701 /nfs/dbraw/zinc/26/77/01/804267701.db2.gz FQSGTCPILGHCQY-VIFPVBQESA-N -1 0 323.440 -0.994 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)COC1CCCCC1 ZINC000763457132 804268394 /nfs/dbraw/zinc/26/83/94/804268394.db2.gz OZJYIPDYVUMYDD-UHFFFAOYSA-N -1 0 306.384 -0.082 20 0 DBADRM COc1ccccc1CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763459492 804269029 /nfs/dbraw/zinc/26/90/29/804269029.db2.gz VTZXXIHAABCIHT-UHFFFAOYSA-N -1 0 314.363 -0.180 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000763976804 804276308 /nfs/dbraw/zinc/27/63/08/804276308.db2.gz HKGGPSJLHAAUMX-IUCAKERBSA-N -1 0 301.368 -0.005 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1cc2n(n1)CCCO2 ZINC000763955027 804276751 /nfs/dbraw/zinc/27/67/51/804276751.db2.gz TZDBWLFAPGDYEO-UHFFFAOYSA-N -1 0 300.340 -0.264 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000764174401 804279202 /nfs/dbraw/zinc/27/92/02/804279202.db2.gz URONZYZDXQGFGG-RKDXNWHRSA-N -1 0 318.351 -0.121 20 0 DBADRM COc1cc(OC)cc(C(=O)NCC(=O)NCc2nnn[n-]2)c1 ZINC000764110908 804279452 /nfs/dbraw/zinc/27/94/52/804279452.db2.gz MNMFKFBLEWEXKO-UHFFFAOYSA-N -1 0 320.309 -0.737 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O ZINC000764174954 804280480 /nfs/dbraw/zinc/28/04/80/804280480.db2.gz VIXJQYMCJPWTIU-MRVPVSSYSA-N -1 0 301.386 -0.708 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CNC(=O)c1ccccc1 ZINC000764215693 804280721 /nfs/dbraw/zinc/28/07/21/804280721.db2.gz HUHDJVNOPLNZJM-JTQLQIEISA-N -1 0 314.363 -0.103 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000764212390 804280748 /nfs/dbraw/zinc/28/07/48/804280748.db2.gz WPINNDXDQMOVJR-GHMZBOCLSA-N -1 0 320.411 -0.028 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)COc1c(C)nn(C)c1C ZINC000764215627 804280827 /nfs/dbraw/zinc/28/08/27/804280827.db2.gz GCUCQGHZVZYHAI-MRVPVSSYSA-N -1 0 319.383 -0.103 20 0 DBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@H]1CCNC(=O)C1 ZINC000764315763 804281886 /nfs/dbraw/zinc/28/18/86/804281886.db2.gz KUAOWRDAYYMIIU-VIFPVBQESA-N -1 0 306.384 -0.226 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CNC(C)=O)s1 ZINC000764756038 804287779 /nfs/dbraw/zinc/28/77/79/804287779.db2.gz LXAHWDPJCOKOLC-UHFFFAOYSA-N -1 0 320.348 -0.524 20 0 DBADRM COc1ccccc1CS(=O)(=O)[N-]C(=O)CNC(C)=O ZINC000764830942 804289174 /nfs/dbraw/zinc/28/91/74/804289174.db2.gz YQFMNFMMNVJNDZ-UHFFFAOYSA-N -1 0 300.336 -0.223 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000764784699 804289361 /nfs/dbraw/zinc/28/93/61/804289361.db2.gz PSAHVXNFROTLKV-CMPLNLGQSA-N -1 0 307.368 -0.478 20 0 DBADRM NC(=O)Cn1ccc([N-]S(=O)(=O)c2cccc3nonc32)n1 ZINC000765063403 804292902 /nfs/dbraw/zinc/29/29/02/804292902.db2.gz ZCGMQGXRIPMIEZ-UHFFFAOYSA-N -1 0 322.306 -0.295 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000765060590 804293169 /nfs/dbraw/zinc/29/31/69/804293169.db2.gz JANVIPPJSQYXCB-UHFFFAOYSA-N -1 0 318.746 -0.444 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1cnn2cccnc12 ZINC000765651820 804304969 /nfs/dbraw/zinc/30/49/69/804304969.db2.gz KACNLKWGBANEKU-UHFFFAOYSA-N -1 0 306.307 -0.419 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C ZINC000765652852 804305692 /nfs/dbraw/zinc/30/56/92/804305692.db2.gz RQXMJAKSKXYLLR-UHFFFAOYSA-N -1 0 302.356 -0.613 20 0 DBADRM Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765657807 804306067 /nfs/dbraw/zinc/30/60/67/804306067.db2.gz NFTNSBDFCXRFNK-UHFFFAOYSA-N -1 0 320.334 -0.110 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CCCn1ccccc1=O ZINC000765657503 804306087 /nfs/dbraw/zinc/30/60/87/804306087.db2.gz ZHHXWTUPXMWNNL-UHFFFAOYSA-N -1 0 324.362 -0.133 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765652664 804306261 /nfs/dbraw/zinc/30/62/61/804306261.db2.gz VRKOVONPFMNTLH-VHSXEESVSA-N -1 0 317.367 -0.191 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000766013531 804310090 /nfs/dbraw/zinc/31/00/90/804310090.db2.gz PODGLSIQWZXTMV-JQWIXIFHSA-N -1 0 306.384 -0.006 20 0 DBADRM O=C([N-]S(=O)(=O)c1cccnc1)c1cccn2c(=O)[nH]nc12 ZINC000766274331 804315126 /nfs/dbraw/zinc/31/51/26/804315126.db2.gz GQWVZHCEXVFYBA-UHFFFAOYSA-N -1 0 319.302 -0.051 20 0 DBADRM Cc1cc(C)n([C@H](C)CC(=O)[N-]S(=O)(=O)CC(N)=O)n1 ZINC000766909765 804320182 /nfs/dbraw/zinc/32/01/82/804320182.db2.gz KOZNMGYBXUXLGF-SECBINFHSA-N -1 0 302.356 -0.618 20 0 DBADRM Cc1nc(-c2ccccc2)[nH]c1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766910264 804320211 /nfs/dbraw/zinc/32/02/11/804320211.db2.gz NJTVAIAQZUVORC-UHFFFAOYSA-N -1 0 322.346 -0.070 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)C1=NN(CC(C)C)C(=O)CC1 ZINC000766865079 804320834 /nfs/dbraw/zinc/32/08/34/804320834.db2.gz DRINVDNYYWPIMA-UHFFFAOYSA-N -1 0 318.399 -0.067 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cc(F)cc2nccnc21 ZINC000766914622 804321299 /nfs/dbraw/zinc/32/12/99/804321299.db2.gz DPWIGXUOSDKHAG-UHFFFAOYSA-N -1 0 312.282 -0.686 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1 ZINC000766920108 804321654 /nfs/dbraw/zinc/32/16/54/804321654.db2.gz DLALSBCYHCLQNA-NSHDSACASA-N -1 0 300.336 -0.305 20 0 DBADRM Cc1ccnn1-c1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766921721 804322171 /nfs/dbraw/zinc/32/21/71/804322171.db2.gz BRJZIIHYRQTQHK-UHFFFAOYSA-N -1 0 322.346 -0.274 20 0 DBADRM Cn1nc(C(C)(C)C)cc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766923031 804322293 /nfs/dbraw/zinc/32/22/93/804322293.db2.gz PDRLBLQEUFWPQQ-UHFFFAOYSA-N -1 0 302.356 -0.738 20 0 DBADRM C[C@@H](Sc1ccccn1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766923931 804322312 /nfs/dbraw/zinc/32/23/12/804322312.db2.gz SHHBUBJBUAJQOF-SSDOTTSWSA-N -1 0 303.365 -0.507 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(-n2cccc2)nc1 ZINC000766923130 804322430 /nfs/dbraw/zinc/32/24/30/804322430.db2.gz NIRUTJTUBZAGJT-UHFFFAOYSA-N -1 0 308.319 -0.583 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000766925379 804323114 /nfs/dbraw/zinc/32/31/14/804323114.db2.gz ZSMSRBIDPNGGDY-UHFFFAOYSA-N -1 0 308.262 -0.167 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cc2ccccc2oc1=O ZINC000766925352 804323316 /nfs/dbraw/zinc/32/33/16/804323316.db2.gz ZNBBCFOMVYUZHK-UHFFFAOYSA-N -1 0 310.287 -0.662 20 0 DBADRM CC[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766926770 804323617 /nfs/dbraw/zinc/32/36/17/804323617.db2.gz ORAWICOZOJCHGA-VHSXEESVSA-N -1 0 306.384 -0.097 20 0 DBADRM COc1cccc([C@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766926217 804323696 /nfs/dbraw/zinc/32/36/96/804323696.db2.gz HUNBUFFFGBTGAO-QMMMGPOBSA-N -1 0 300.336 -0.270 20 0 DBADRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1C ZINC000766925808 804323746 /nfs/dbraw/zinc/32/37/46/804323746.db2.gz SUXAYRBTJWLRAZ-UHFFFAOYSA-N -1 0 300.336 -0.386 20 0 DBADRM Cn1cc(/C=C/C(=O)N(CC(=O)[O-])CC2CC2)c(=O)n(C)c1=O ZINC000766931000 804323878 /nfs/dbraw/zinc/32/38/78/804323878.db2.gz GDMQXADBIQOVPL-AATRIKPKSA-N -1 0 321.333 -0.580 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cnc2ccc(F)cc2c1 ZINC000766929835 804323994 /nfs/dbraw/zinc/32/39/94/804323994.db2.gz SYFCIPDVHFYCEE-UHFFFAOYSA-N -1 0 311.294 -0.081 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000766928607 804324117 /nfs/dbraw/zinc/32/41/17/804324117.db2.gz IEISVEFBZDFWKD-YUMQZZPRSA-N -1 0 318.301 0.000 20 0 DBADRM CCc1ccccc1OCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766928844 804324500 /nfs/dbraw/zinc/32/45/00/804324500.db2.gz UVALMHOPKINEPA-UHFFFAOYSA-N -1 0 300.336 -0.441 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCCCO2 ZINC000766929673 804324559 /nfs/dbraw/zinc/32/45/59/804324559.db2.gz QIUQSCBQSCFPAK-UHFFFAOYSA-N -1 0 314.319 -0.607 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCc1nc2ccccc2o1 ZINC000766929067 804324600 /nfs/dbraw/zinc/32/46/00/804324600.db2.gz YLFYIOVSOFVVRR-UHFFFAOYSA-N -1 0 311.319 -0.308 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)CN(C)C(=O)C1CC1 ZINC000766957846 804325233 /nfs/dbraw/zinc/32/52/33/804325233.db2.gz QQQGQVOPJRAAFR-UHFFFAOYSA-N -1 0 306.384 -0.273 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000767088434 804325732 /nfs/dbraw/zinc/32/57/32/804325732.db2.gz LDDDPERKAVJVRZ-DAXSKMNVSA-N -1 0 319.317 -0.025 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2cnc(C)cn2)c1[O-] ZINC001282893297 804329592 /nfs/dbraw/zinc/32/95/92/804329592.db2.gz ROBCKOHPTIBFNR-UHFFFAOYSA-N -1 0 304.310 -0.318 20 0 DBADRM O=C(CC1CCCC1)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001282892306 804330045 /nfs/dbraw/zinc/33/00/45/804330045.db2.gz LUELMBNNPOGJND-UHFFFAOYSA-N -1 0 309.326 -0.291 20 0 DBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000767501929 804331018 /nfs/dbraw/zinc/33/10/18/804331018.db2.gz XVJDPXCJHGAGNE-MRVPVSSYSA-N -1 0 302.356 -0.207 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)o1 ZINC000767842149 804334783 /nfs/dbraw/zinc/33/47/83/804334783.db2.gz FSJRTZYEIVBZOP-UHFFFAOYSA-N -1 0 317.279 -0.847 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1 ZINC000767844124 804335127 /nfs/dbraw/zinc/33/51/27/804335127.db2.gz RURLSUJQBYWPFV-UHFFFAOYSA-N -1 0 315.355 -0.374 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CNC(=O)c2ccccc2)cn1 ZINC000768755584 804342032 /nfs/dbraw/zinc/34/20/32/804342032.db2.gz HPBKVKXKTPLTAT-UHFFFAOYSA-N -1 0 322.346 -0.345 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCSC[C@@H]1CCO ZINC000769017944 804344877 /nfs/dbraw/zinc/34/48/77/804344877.db2.gz OSISYQOUFVPSOI-VIFPVBQESA-N -1 0 323.378 -0.602 20 0 DBADRM CCC[C@@H](C)CC(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001282941396 804349218 /nfs/dbraw/zinc/34/92/18/804349218.db2.gz VMOOEMBXQLCVFQ-MRVPVSSYSA-N -1 0 311.342 -0.045 20 0 DBADRM CCNC(=O)CCC(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001282943151 804349993 /nfs/dbraw/zinc/34/99/93/804349993.db2.gz IPCOYGMWCBTGAP-UHFFFAOYSA-N -1 0 311.342 -0.814 20 0 DBADRM C[C@@](O)(CNC(=O)CN1c2ccccc2OCCC1=O)C(=O)[O-] ZINC000769744994 804352137 /nfs/dbraw/zinc/35/21/37/804352137.db2.gz UNZDUFQMQAILQP-OAHLLOKOSA-N -1 0 322.317 -0.246 20 0 DBADRM CCOC(=O)[C@H](CO)NC(=O)c1n[n-]c2ccccc2c1=O ZINC000770429193 804362765 /nfs/dbraw/zinc/36/27/65/804362765.db2.gz BBZZROAQOSQUBN-JTQLQIEISA-N -1 0 305.290 -0.011 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cnn(-c3ccc(F)cc3)n2)C1=O ZINC000770454540 804364090 /nfs/dbraw/zinc/36/40/90/804364090.db2.gz HAYHAHAAMRXZDE-UHFFFAOYSA-N -1 0 318.268 -0.055 20 0 DBADRM COc1nc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc(=O)[n-]1 ZINC000770515174 804365396 /nfs/dbraw/zinc/36/53/96/804365396.db2.gz HDOGLGICIPNVIG-QMMMGPOBSA-N -1 0 311.294 -0.357 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2cc3n(n2)CCC3)c1[O-] ZINC001282975231 804365501 /nfs/dbraw/zinc/36/55/01/804365501.db2.gz PYZPDWCAWAUNBY-UHFFFAOYSA-N -1 0 318.337 -0.274 20 0 DBADRM CS[C@H](C)CC(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001282976905 804366419 /nfs/dbraw/zinc/36/64/19/804366419.db2.gz HZULJAGMSQLQPG-SSDOTTSWSA-N -1 0 317.371 -0.937 20 0 DBADRM Cc1cc2c(cc1C)[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CO2 ZINC000770915410 804371873 /nfs/dbraw/zinc/37/18/73/804371873.db2.gz XUBOVHXVRUUHSG-JTQLQIEISA-N -1 0 312.347 -0.289 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC1(CO)CCCC1 ZINC000771610036 804378220 /nfs/dbraw/zinc/37/82/20/804378220.db2.gz QJRGAWIKEKRLNM-UHFFFAOYSA-N -1 0 305.338 -0.260 20 0 DBADRM CC(C(=O)NCCNC(=O)c1cnc([O-])n(C)c1=O)=C1CCC1 ZINC001283002044 804378755 /nfs/dbraw/zinc/37/87/55/804378755.db2.gz IQUVBZVNOSDSSP-UHFFFAOYSA-N -1 0 320.349 -0.168 20 0 DBADRM O=C(CN1CCN(C(=O)CO)CC1)[N-]OCc1ccccc1 ZINC000772239987 804385167 /nfs/dbraw/zinc/38/51/67/804385167.db2.gz HGERANBPIJLJCF-UHFFFAOYSA-N -1 0 307.350 -0.629 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC3(CN(CC(N)=O)C3)CC2)c1[O-] ZINC001035686960 815013832 /nfs/dbraw/zinc/01/38/32/815013832.db2.gz WIADQDWZVZNWPL-UHFFFAOYSA-N -1 0 307.354 -0.553 20 0 DBADRM CCOCCO[N-]C(=O)CSCC(=O)N1CCOCC1 ZINC000772699797 804390534 /nfs/dbraw/zinc/39/05/34/804390534.db2.gz WEOAEPYMAJSQPA-UHFFFAOYSA-N -1 0 306.384 -0.337 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC3(CN([C@@H](C)C(N)=O)C3)CC2)c1[O-] ZINC001035686484 815014305 /nfs/dbraw/zinc/01/43/05/815014305.db2.gz HAHMSWFJNNJTRB-JTQLQIEISA-N -1 0 321.381 -0.164 20 0 DBADRM Cn1nnnc1CCNC(=O)CSc1n[n-]c(=S)s1 ZINC000772875094 804392346 /nfs/dbraw/zinc/39/23/46/804392346.db2.gz CSBZMYZCDOVKIO-UHFFFAOYSA-N -1 0 317.425 -0.199 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[N-]OCC(N)=O)cc1 ZINC000772939386 804394547 /nfs/dbraw/zinc/39/45/47/804394547.db2.gz TWSWCLXGFZIJDE-VIFPVBQESA-N -1 0 315.351 -0.805 20 0 DBADRM O=C(Cn1ccccc1=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000773150807 804396450 /nfs/dbraw/zinc/39/64/50/804396450.db2.gz KNFAUQVJPOULNA-SECBINFHSA-N -1 0 306.351 -0.322 20 0 DBADRM COc1ccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)nn1 ZINC000773160961 804397642 /nfs/dbraw/zinc/39/76/42/804397642.db2.gz IWHDKXHHZOZVGE-MRVPVSSYSA-N -1 0 307.339 -0.071 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccc(CC(=O)NC)cc1 ZINC000773621779 804405330 /nfs/dbraw/zinc/40/53/30/804405330.db2.gz PLGHZRQHQXEHIZ-UHFFFAOYSA-N -1 0 323.349 -0.002 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)cc1 ZINC000773943771 804409118 /nfs/dbraw/zinc/40/91/18/804409118.db2.gz MXCLYYHBSVDYSR-LLVKDONJSA-N -1 0 312.347 -0.022 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)cc1 ZINC000773943772 804409506 /nfs/dbraw/zinc/40/95/06/804409506.db2.gz MXCLYYHBSVDYSR-NSHDSACASA-N -1 0 312.347 -0.022 20 0 DBADRM CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)[N-]S(C)(=O)=O ZINC000774032418 804412044 /nfs/dbraw/zinc/41/20/44/804412044.db2.gz ZYLCCOAZAVCXQH-QMMMGPOBSA-N -1 0 310.372 -0.008 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)[C@@H]1CCSC1 ZINC000774087490 804413444 /nfs/dbraw/zinc/41/34/44/804413444.db2.gz SKFCAWFLGDBHPD-NXEZZACHSA-N -1 0 308.425 -0.341 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)CN(C)[C@H]1CCSC1 ZINC000774086793 804413784 /nfs/dbraw/zinc/41/37/84/804413784.db2.gz YUPXLMHKYUONQV-JTQLQIEISA-N -1 0 310.441 -0.094 20 0 DBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)c2cnccn2)c(=O)c1 ZINC000774138478 804415000 /nfs/dbraw/zinc/41/50/00/804415000.db2.gz KWUXXRBZOFHJNV-UHFFFAOYSA-N -1 0 308.319 -0.548 20 0 DBADRM CC(C)(C)OC(=O)CCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000774108192 804415469 /nfs/dbraw/zinc/41/54/69/804415469.db2.gz FRDWQDVWMNTQQL-UHFFFAOYSA-N -1 0 322.383 -0.199 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cc(OC)n(C)n2)cn1 ZINC000774148110 804416705 /nfs/dbraw/zinc/41/67/05/804416705.db2.gz AMCGBPLDIAXHDN-UHFFFAOYSA-N -1 0 313.339 -0.236 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)C1CCC1 ZINC000774279982 804420602 /nfs/dbraw/zinc/42/06/02/804420602.db2.gz AMOHCBDRABDJAS-UHFFFAOYSA-N -1 0 312.413 -0.344 20 0 DBADRM O=C(NCCNC(=O)[C@@H]1CC[C@H](F)C1)c1n[nH]c(=O)[n-]c1=O ZINC001283127972 804423327 /nfs/dbraw/zinc/42/33/27/804423327.db2.gz USZOZOJKYDCXAL-RQJHMYQMSA-N -1 0 313.289 -0.733 20 0 DBADRM Cc1cc(C(=O)OCc2n[nH]c(=O)[n-]2)ccc1S(N)(=O)=O ZINC000774942464 804434448 /nfs/dbraw/zinc/43/44/48/804434448.db2.gz OAUYGCKAXXCVOR-UHFFFAOYSA-N -1 0 312.307 -0.177 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774922668 804434747 /nfs/dbraw/zinc/43/47/47/804434747.db2.gz CRGGTUIMZHLVDT-SSDOTTSWSA-N -1 0 304.328 -0.632 20 0 DBADRM Cc1ccc(S(N)(=O)=O)c(C(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000774987138 804435717 /nfs/dbraw/zinc/43/57/17/804435717.db2.gz YZRYLJJKBFMLOK-UHFFFAOYSA-N -1 0 312.307 -0.177 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774961431 804435830 /nfs/dbraw/zinc/43/58/30/804435830.db2.gz RUUQVEYDISPQHE-XPUUQOCRSA-N -1 0 300.315 -0.535 20 0 DBADRM CC(C)[C@@H](C(=O)OCc1n[nH]c(=O)[n-]1)N1CCCS1(=O)=O ZINC000774971881 804435992 /nfs/dbraw/zinc/43/59/92/804435992.db2.gz OQORZJBJDMEKHP-VIFPVBQESA-N -1 0 318.355 -0.386 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774972254 804435999 /nfs/dbraw/zinc/43/59/99/804435999.db2.gz PKUALSXFWZXLQS-SSDOTTSWSA-N -1 0 306.344 -0.483 20 0 DBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000775308058 804439831 /nfs/dbraw/zinc/43/98/31/804439831.db2.gz ZEGYPQICOZNYLR-UHFFFAOYSA-N -1 0 314.319 -0.302 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000775536147 804442885 /nfs/dbraw/zinc/44/28/85/804442885.db2.gz RUNFLSKDALEFRT-LLVKDONJSA-N -1 0 305.400 -0.446 20 0 DBADRM CC(C)[C@H](O)C1(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000775900863 804447336 /nfs/dbraw/zinc/44/73/36/804447336.db2.gz XALVYBPDMJKMHZ-LBPRGKRZSA-N -1 0 319.365 -0.016 20 0 DBADRM COCC[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)C(N)=O ZINC000775971774 804448507 /nfs/dbraw/zinc/44/85/07/804448507.db2.gz LFQSCJFZULFLRR-SNVBAGLBSA-N -1 0 304.306 -0.044 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H]1OC ZINC000776228905 804451341 /nfs/dbraw/zinc/45/13/41/804451341.db2.gz SXDJVEAHYGLRTA-UMNHJUIQSA-N -1 0 321.337 -0.620 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)Cc2cc[nH]n2)c1[O-] ZINC001283213057 804455540 /nfs/dbraw/zinc/45/55/40/804455540.db2.gz DICJPDGYHXYDLI-UHFFFAOYSA-N -1 0 306.326 -0.374 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H](C)C1 ZINC000776534986 804457036 /nfs/dbraw/zinc/45/70/36/804457036.db2.gz XWPYYNGTLBCYMB-GHMZBOCLSA-N -1 0 309.384 -0.090 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)C[C@@H]1CCCO1)C1CCOCC1 ZINC000776524390 804457233 /nfs/dbraw/zinc/45/72/33/804457233.db2.gz HHHMTPFFIPHIHS-QWRGUYRKSA-N -1 0 307.368 -0.035 20 0 DBADRM CC[C@H](CNS(=O)(=O)c1cnn(CC(=O)OC)c1)C(=O)[O-] ZINC000776540350 804457945 /nfs/dbraw/zinc/45/79/45/804457945.db2.gz UGZQFWYSUSIGRN-MRVPVSSYSA-N -1 0 319.339 -0.555 20 0 DBADRM C[C@@H](CCC(=O)[O-])NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776563297 804458420 /nfs/dbraw/zinc/45/84/20/804458420.db2.gz INQBTEVGNWVKPY-JTQLQIEISA-N -1 0 322.383 -0.087 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])ccc1F ZINC000776540204 804458443 /nfs/dbraw/zinc/45/84/43/804458443.db2.gz PFRDYLOJOUCDSL-VIFPVBQESA-N -1 0 321.282 -0.664 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000776578016 804458592 /nfs/dbraw/zinc/45/85/92/804458592.db2.gz SXRQJPZRLLYXTH-LLVKDONJSA-N -1 0 324.399 -0.331 20 0 DBADRM O=C(Cn1nc2ccccn2c1=O)NCCc1n[n-]c(=S)o1 ZINC000776541664 804458714 /nfs/dbraw/zinc/45/87/14/804458714.db2.gz GUHRMXGPJLNGII-UHFFFAOYSA-N -1 0 320.334 -0.473 20 0 DBADRM O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[N-]OCCO ZINC000776581372 804459826 /nfs/dbraw/zinc/45/98/26/804459826.db2.gz FSEDIUQUEPAANT-OAHLLOKOSA-N -1 0 319.317 -0.580 20 0 DBADRM CCN(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC000776601133 804460509 /nfs/dbraw/zinc/46/05/09/804460509.db2.gz LAMPOIZUYQVHHQ-WDEREUQCSA-N -1 0 302.352 -0.041 20 0 DBADRM CC[C@](C)(CC(=O)[O-])NC(=O)CNS(=O)(=O)CCCOC ZINC000776628801 804460547 /nfs/dbraw/zinc/46/05/47/804460547.db2.gz NODQIJZXTTUPJD-GFCCVEGCSA-N -1 0 324.399 -0.298 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])cn1 ZINC000776599549 804460791 /nfs/dbraw/zinc/46/07/91/804460791.db2.gz IAGGIMCEJPXNJM-NSHDSACASA-N -1 0 317.367 -0.032 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@H](CC2CCOCC2)C(=O)[O-])c1 ZINC000776603572 804460824 /nfs/dbraw/zinc/46/08/24/804460824.db2.gz XGGQQAFWWMEDPU-SNVBAGLBSA-N -1 0 317.367 -0.032 20 0 DBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)N(C)C1CCOCC1 ZINC000776714927 804461858 /nfs/dbraw/zinc/46/18/58/804461858.db2.gz OREZIXSCFNVUSD-SNVBAGLBSA-N -1 0 324.399 -0.237 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776681574 804462062 /nfs/dbraw/zinc/46/20/62/804462062.db2.gz CTRGYPXPTUABMM-JTQLQIEISA-N -1 0 322.383 -0.135 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000776712966 804462119 /nfs/dbraw/zinc/46/21/19/804462119.db2.gz RVCLESYNJKJIFR-IUCAKERBSA-N -1 0 307.372 -0.778 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(S(=O)(=O)c1c[nH]cn1)CC2 ZINC000776717380 804462849 /nfs/dbraw/zinc/46/28/49/804462849.db2.gz VFZCRBOXEJSZDC-UHFFFAOYSA-N -1 0 314.323 -0.206 20 0 DBADRM CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)CCS(C)(=O)=O ZINC000776715248 804462855 /nfs/dbraw/zinc/46/28/55/804462855.db2.gz AXELJZSANBSGSX-RKDXNWHRSA-N -1 0 315.413 -0.208 20 0 DBADRM COCCS(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC000776716781 804463441 /nfs/dbraw/zinc/46/34/41/804463441.db2.gz RXGXSCRIPYMEOC-UHFFFAOYSA-N -1 0 306.340 -0.342 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccnn2C)cc1 ZINC000777350080 804469292 /nfs/dbraw/zinc/46/92/92/804469292.db2.gz FYFHJTJCXUSUKO-UHFFFAOYSA-N -1 0 322.346 -0.102 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H](CO)c1ccccc1 ZINC000778343208 804482939 /nfs/dbraw/zinc/48/29/39/804482939.db2.gz UQJQYYJFRSBISZ-LBPRGKRZSA-N -1 0 313.317 -0.079 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)[C@@H](C)COC)cn1 ZINC000778642380 804486331 /nfs/dbraw/zinc/48/63/31/804486331.db2.gz WXKQVSKSMGAPRS-QMMMGPOBSA-N -1 0 303.340 -0.030 20 0 DBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000778638611 804486478 /nfs/dbraw/zinc/48/64/78/804486478.db2.gz CUQQXHCYWMINBE-UHFFFAOYSA-N -1 0 319.770 -0.128 20 0 DBADRM CCc1c(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cnn1C ZINC000780314780 804513603 /nfs/dbraw/zinc/51/36/03/804513603.db2.gz URCATFCQKPLYRF-UHFFFAOYSA-N -1 0 304.310 -0.031 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CSCCS1 ZINC000780430687 804515061 /nfs/dbraw/zinc/51/50/61/804515061.db2.gz PHOXHERMKAMKNY-MRVPVSSYSA-N -1 0 314.454 -0.226 20 0 DBADRM O=C([O-])CNC(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000780371843 804515382 /nfs/dbraw/zinc/51/53/82/804515382.db2.gz HOCKVDSLHMNGFK-UHFFFAOYSA-N -1 0 301.324 -0.651 20 0 DBADRM CC[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)CCO1 ZINC000780393736 804515417 /nfs/dbraw/zinc/51/54/17/804515417.db2.gz YJWCTICPVJHJCC-WDEREUQCSA-N -1 0 306.384 -0.115 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)o1 ZINC000780620921 804517229 /nfs/dbraw/zinc/51/72/29/804517229.db2.gz QTQPNUDUVOIINS-ZETCQYMHSA-N -1 0 302.308 -0.383 20 0 DBADRM COc1ncc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)cn1 ZINC000780605521 804517606 /nfs/dbraw/zinc/51/76/06/804517606.db2.gz JENPJZKPHMPSPJ-SECBINFHSA-N -1 0 301.324 -0.276 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780612273 804517715 /nfs/dbraw/zinc/51/77/15/804517715.db2.gz JBMOEAAHPUXBHL-JTQLQIEISA-N -1 0 306.384 -0.082 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NCc1cnc(N(C)C)n1C ZINC000780570065 804517739 /nfs/dbraw/zinc/51/77/39/804517739.db2.gz GRJFSNVEXJUNQK-UHFFFAOYSA-N -1 0 313.358 -0.271 20 0 DBADRM CC(C)[C@@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000780694798 804518551 /nfs/dbraw/zinc/51/85/51/804518551.db2.gz KCLDDLJWYFBKAG-VHSXEESVSA-N -1 0 321.399 -0.324 20 0 DBADRM CCNS(=O)(=O)c1ccc(CNC(=O)NCC(=O)[O-])cc1 ZINC000780675622 804518614 /nfs/dbraw/zinc/51/86/14/804518614.db2.gz RVGPKWIFUHANDC-UHFFFAOYSA-N -1 0 315.351 -0.131 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H]1C(=O)[O-])CC2 ZINC000780655756 804518874 /nfs/dbraw/zinc/51/88/74/804518874.db2.gz NMTLRIOEAIKJTG-UWVGGRQHSA-N -1 0 323.353 -0.002 20 0 DBADRM CC(C)[C@@H](NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000780694796 804519127 /nfs/dbraw/zinc/51/91/27/804519127.db2.gz KCLDDLJWYFBKAG-NXEZZACHSA-N -1 0 321.399 -0.324 20 0 DBADRM CN(C)c1nccc(CNC(=O)N2CCOC[C@@H]2C(=O)[O-])n1 ZINC000780716059 804519223 /nfs/dbraw/zinc/51/92/23/804519223.db2.gz MMNUGKADQPGHQJ-SNVBAGLBSA-N -1 0 309.326 -0.462 20 0 DBADRM O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781499443 804529677 /nfs/dbraw/zinc/52/96/77/804529677.db2.gz FKDXLKAVUMOWFR-MNOVXSKESA-N -1 0 307.368 -0.193 20 0 DBADRM O=C(CCN1CCCC1=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781497105 804529689 /nfs/dbraw/zinc/52/96/89/804529689.db2.gz HNWQTEUCKQTBRP-JTQLQIEISA-N -1 0 304.368 -0.376 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)ccc1=O ZINC000781498020 804529741 /nfs/dbraw/zinc/52/97/41/804529741.db2.gz LQSOGHDXUVPGGZ-SNVBAGLBSA-N -1 0 300.336 -0.376 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000781510809 804529940 /nfs/dbraw/zinc/52/99/40/804529940.db2.gz JUESDCWPMRXBJQ-AAEUAGOBSA-N -1 0 318.395 -0.130 20 0 DBADRM CC(=O)[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cnnn2C)C1(C)C ZINC000781736805 804534554 /nfs/dbraw/zinc/53/45/54/804534554.db2.gz BQHXPTJHHDONCI-DTWKUNHWSA-N -1 0 314.367 -0.129 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cccc2c1OCCO2 ZINC000781731694 804534685 /nfs/dbraw/zinc/53/46/85/804534685.db2.gz GXYYEVYAIUMMND-UHFFFAOYSA-N -1 0 324.318 -0.295 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000781736841 804534787 /nfs/dbraw/zinc/53/47/87/804534787.db2.gz JONVHTQLCFIBLV-UHFFFAOYSA-N -1 0 312.355 -0.046 20 0 DBADRM O=C(NCc1ncn(Cc2cccc(F)c2)n1)c1cc(=O)[nH][n-]1 ZINC000782078021 804539589 /nfs/dbraw/zinc/53/95/89/804539589.db2.gz NCKQLCGCEHZHSI-UHFFFAOYSA-N -1 0 316.296 -0.042 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)[N-]N2CN=NC2=O)c1 ZINC000782128388 804540407 /nfs/dbraw/zinc/54/04/07/804540407.db2.gz XTSKWXWHXABTLX-UHFFFAOYSA-N -1 0 303.325 -0.663 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]N2CN=NC2=O)o1 ZINC000782128837 804540427 /nfs/dbraw/zinc/54/04/27/804540427.db2.gz JXUPGPJVCUEZOM-UHFFFAOYSA-N -1 0 301.284 -0.789 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCOCC2(CC2)C1 ZINC000782536343 804548311 /nfs/dbraw/zinc/54/83/11/804548311.db2.gz GHTRGKUKZDBJCZ-UHFFFAOYSA-N -1 0 303.322 -0.290 20 0 DBADRM O=C(Cn1ccc2ccccc2c1=O)NCc1nc(=O)o[n-]1 ZINC001324934161 807017029 /nfs/dbraw/zinc/01/70/29/807017029.db2.gz VNJQIGLJEGRSNQ-UHFFFAOYSA-N -1 0 300.274 -0.006 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)CCOC)c(C)n1 ZINC000782597233 804550401 /nfs/dbraw/zinc/55/04/01/804550401.db2.gz BYQROIGCROJHRV-UHFFFAOYSA-N -1 0 305.356 -0.456 20 0 DBADRM CC1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)COC1 ZINC000782599788 804550637 /nfs/dbraw/zinc/55/06/37/804550637.db2.gz GXNOFPVXUJXONB-UHFFFAOYSA-N -1 0 324.358 -0.186 20 0 DBADRM CCOC(=O)[C@H](CO)NC(=O)CSc1n[n-]c(=S)s1 ZINC000782763390 804554974 /nfs/dbraw/zinc/55/49/74/804554974.db2.gz AEMCYAZMMHZDPF-YFKPBYRVSA-N -1 0 323.421 -0.041 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000783378811 804565401 /nfs/dbraw/zinc/56/54/01/804565401.db2.gz NEMKMLDYDJXFNS-MNOVXSKESA-N -1 0 306.384 -0.228 20 0 DBADRM Cc1cc(S(N)(=O)=O)sc1C(=O)[N-]N1CCCNC1=O ZINC000783601624 804567068 /nfs/dbraw/zinc/56/70/68/804567068.db2.gz ZTYKRISYGTZQPJ-UHFFFAOYSA-N -1 0 318.380 -0.236 20 0 DBADRM NC(=O)C1=NO[C@H](C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000784726219 804585986 /nfs/dbraw/zinc/58/59/86/804585986.db2.gz DGRCICBIXMJBJQ-LURJTMIESA-N -1 0 319.289 -0.127 20 0 DBADRM Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cn1 ZINC000784825576 804587811 /nfs/dbraw/zinc/58/78/11/804587811.db2.gz WPROAMJYCNYLLE-UHFFFAOYSA-N -1 0 311.367 -0.064 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000784861992 804588239 /nfs/dbraw/zinc/58/82/39/804588239.db2.gz XJULVMXTSXKTNE-ZJUUUORDSA-N -1 0 304.368 -0.378 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000784861989 804588453 /nfs/dbraw/zinc/58/84/53/804588453.db2.gz XJULVMXTSXKTNE-UWVGGRQHSA-N -1 0 304.368 -0.378 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C)c1 ZINC000784900664 804589283 /nfs/dbraw/zinc/58/92/83/804589283.db2.gz XNDSZCSTOPMVLC-VIFPVBQESA-N -1 0 314.367 -0.110 20 0 DBADRM COc1c(Cl)cccc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785386142 804597413 /nfs/dbraw/zinc/59/74/13/804597413.db2.gz RUWFVLNJKDHQNM-UHFFFAOYSA-N -1 0 301.686 -0.180 20 0 DBADRM COc1ccc(NC(=O)C(=O)[N-]OCC(N)=O)c2cccnc12 ZINC000785383417 804597615 /nfs/dbraw/zinc/59/76/15/804597615.db2.gz FVMSUUMPFWPYCB-UHFFFAOYSA-N -1 0 318.289 -0.285 20 0 DBADRM CCOc1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1OC ZINC000785387308 804598137 /nfs/dbraw/zinc/59/81/37/804598137.db2.gz CISBJSYPMRSEPF-UHFFFAOYSA-N -1 0 311.294 -0.435 20 0 DBADRM COC(=O)CCc1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1 ZINC000785389381 804598355 /nfs/dbraw/zinc/59/83/55/804598355.db2.gz RLDOVWZUEBQVNU-UHFFFAOYSA-N -1 0 323.305 -0.736 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccc(Br)c1 ZINC000785389388 804598599 /nfs/dbraw/zinc/59/85/99/804598599.db2.gz RNRMYIDJCKVVEM-UHFFFAOYSA-N -1 0 316.111 -0.079 20 0 DBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NC(CO)CO ZINC000785419350 804598628 /nfs/dbraw/zinc/59/86/28/804598628.db2.gz GWWNRYMWRVWFIR-UHFFFAOYSA-N -1 0 309.347 -0.845 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCS(=O)(=O)CC2CC2)O1 ZINC000785400794 804598765 /nfs/dbraw/zinc/59/87/65/804598765.db2.gz CJLQKEDOABYGKN-ZJUUUORDSA-N -1 0 305.352 -0.440 20 0 DBADRM COc1ccc2cc(NC(=O)C(=O)[N-]OCC(N)=O)ccc2n1 ZINC000785387940 804598874 /nfs/dbraw/zinc/59/88/74/804598874.db2.gz KBPWMQGDNPUWJV-UHFFFAOYSA-N -1 0 318.289 -0.285 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000786500298 804616110 /nfs/dbraw/zinc/61/61/10/804616110.db2.gz OBKHXIXEDAYTJC-UHFFFAOYSA-N -1 0 322.365 -0.008 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnccn2)C1 ZINC000786957313 804626309 /nfs/dbraw/zinc/62/63/09/804626309.db2.gz JJIZQWAEPTVVPX-RKDXNWHRSA-N -1 0 312.351 -0.427 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000786967286 804626348 /nfs/dbraw/zinc/62/63/48/804626348.db2.gz KQUWTSIUZIRJHZ-HBNTYKKESA-N -1 0 318.395 -0.239 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCn1cnc2ccccc21 ZINC000786985018 804627986 /nfs/dbraw/zinc/62/79/86/804627986.db2.gz KWBTUHWEEQOFJQ-UHFFFAOYSA-N -1 0 306.322 -0.153 20 0 DBADRM CC1(C)CC[C@H](C(=O)[O-])N1S(=O)(=O)CCS(C)(=O)=O ZINC000787515947 804635023 /nfs/dbraw/zinc/63/50/23/804635023.db2.gz WEVNJSFZIAFNKZ-MRVPVSSYSA-N -1 0 313.397 -0.312 20 0 DBADRM CCOCCOCCN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000787508391 804635198 /nfs/dbraw/zinc/63/51/98/804635198.db2.gz PFYFRSPUKSVLID-UHFFFAOYSA-N -1 0 323.353 -0.417 20 0 DBADRM CN(C)c1cccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000787944187 804647069 /nfs/dbraw/zinc/64/70/69/804647069.db2.gz NGZSJPVIXGJWCD-ZYHUDNBSSA-N -1 0 314.363 -0.039 20 0 DBADRM O=C(NCCc1n[n-]c(=S)o1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000788147606 804652112 /nfs/dbraw/zinc/65/21/12/804652112.db2.gz JHBJMCISYQPXIY-SSDOTTSWSA-N -1 0 322.350 -0.207 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CSCCS1 ZINC000788175832 804652724 /nfs/dbraw/zinc/65/27/24/804652724.db2.gz JKYWRWQDVCORLG-SSDOTTSWSA-N -1 0 312.438 -0.583 20 0 DBADRM CNC(=O)[C@H](O)CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000788179073 804652888 /nfs/dbraw/zinc/65/28/88/804652888.db2.gz YCKSSDXMIARHSX-SECBINFHSA-N -1 0 322.346 -0.539 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC/C=C/C(=O)[O-])cn1C ZINC000788449328 804661908 /nfs/dbraw/zinc/66/19/08/804661908.db2.gz YDWLHVHWRHUTGD-ONEGZZNKSA-N -1 0 302.308 -0.269 20 0 DBADRM COc1nc(C(=O)OC[C@@H]2CCS(=O)(=O)C2)cc(=O)[n-]1 ZINC000788986274 804668674 /nfs/dbraw/zinc/66/86/74/804668674.db2.gz KMBYPLWWRPAZJV-ZETCQYMHSA-N -1 0 302.308 -0.218 20 0 DBADRM CCOC(=O)C1(CC(=O)[N-]S(=O)(=O)CC(N)=O)CCC1 ZINC000789420889 804673363 /nfs/dbraw/zinc/67/33/63/804673363.db2.gz YAMFIUNMPDQLCD-UHFFFAOYSA-N -1 0 306.340 -0.959 20 0 DBADRM Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000789597945 804675198 /nfs/dbraw/zinc/67/51/98/804675198.db2.gz SYNHWPLSTVBLNK-UHFFFAOYSA-N -1 0 317.305 -0.348 20 0 DBADRM O=C(CCCNC(=O)C1CC1)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000789792031 804676093 /nfs/dbraw/zinc/67/60/93/804676093.db2.gz VGCPXIVWGZMSBJ-UHFFFAOYSA-N -1 0 300.340 -0.479 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000789825718 804677391 /nfs/dbraw/zinc/67/73/91/804677391.db2.gz HITUDDXOBGKREJ-UHFFFAOYSA-N -1 0 322.321 -0.490 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccccc1Cn1cncn1 ZINC000789825910 804677701 /nfs/dbraw/zinc/67/77/01/804677701.db2.gz LLIPOAZATBQUIN-UHFFFAOYSA-N -1 0 319.321 -0.041 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCN(C(N)=O)C1 ZINC000789945662 804679623 /nfs/dbraw/zinc/67/96/23/804679623.db2.gz NKUOHGJXRAOXQA-YUMQZZPRSA-N -1 0 324.303 -0.041 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CC2OCCO2)s1 ZINC000789965887 804681225 /nfs/dbraw/zinc/68/12/25/804681225.db2.gz FWTJRRPGPSPNCG-UHFFFAOYSA-N -1 0 308.341 -0.389 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000790076646 804683147 /nfs/dbraw/zinc/68/31/47/804683147.db2.gz JPRSUABHVYIYRP-LURJTMIESA-N -1 0 322.243 -0.425 20 0 DBADRM O=C(Cc1cnn(-c2ccccc2)n1)NCCc1nc(=O)o[n-]1 ZINC000790077164 804683315 /nfs/dbraw/zinc/68/33/15/804683315.db2.gz QCGCMVQLIHMDGL-UHFFFAOYSA-N -1 0 314.305 -0.155 20 0 DBADRM COC[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H]1CCCO1 ZINC000790273540 804687503 /nfs/dbraw/zinc/68/75/03/804687503.db2.gz KIFVTDYFAPVNJT-MNOVXSKESA-N -1 0 321.337 -0.619 20 0 DBADRM CCC(CC)CS(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000790776977 804695790 /nfs/dbraw/zinc/69/57/90/804695790.db2.gz AFDCLDLJXLSVKD-UHFFFAOYSA-N -1 0 306.384 -0.273 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1(=O)=O ZINC000791799366 804708726 /nfs/dbraw/zinc/70/87/26/804708726.db2.gz BYZOTIJPOWUVCK-VIFPVBQESA-N -1 0 312.413 -0.345 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCCS1(=O)=O ZINC000791809719 804709071 /nfs/dbraw/zinc/70/90/71/804709071.db2.gz QBWZCFYWNCHIOZ-RKDXNWHRSA-N -1 0 313.397 -0.565 20 0 DBADRM COc1cncc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)n1 ZINC000791853962 804709679 /nfs/dbraw/zinc/70/96/79/804709679.db2.gz XWISJQLXSVRSCH-MRVPVSSYSA-N -1 0 301.324 -0.419 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791948142 804712203 /nfs/dbraw/zinc/71/22/03/804712203.db2.gz YBXMVHXNGPBXMG-UHFFFAOYSA-N -1 0 303.315 -0.058 20 0 DBADRM C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)[N-]OCCO ZINC000792334065 804715838 /nfs/dbraw/zinc/71/58/38/804715838.db2.gz ZIWRBHPPGGDERN-LLVKDONJSA-N -1 0 324.255 -0.342 20 0 DBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000793130615 804724608 /nfs/dbraw/zinc/72/46/08/804724608.db2.gz RQAGWWONRSEREN-UHFFFAOYSA-N -1 0 316.383 -0.216 20 0 DBADRM CC(C)Oc1ncccc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000793196266 804725653 /nfs/dbraw/zinc/72/56/53/804725653.db2.gz HXFUTANIHLNTJB-UHFFFAOYSA-N -1 0 301.324 -0.586 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cc(Cc2ccccc2)n[nH]1 ZINC000793195656 804725720 /nfs/dbraw/zinc/72/57/20/804725720.db2.gz DYBQOUPRUOUUJO-UHFFFAOYSA-N -1 0 322.346 -0.455 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)C1(COC)CCC1 ZINC000793179864 804726317 /nfs/dbraw/zinc/72/63/17/804726317.db2.gz NFGQKDNSBQEXNX-UHFFFAOYSA-N -1 0 309.384 -0.088 20 0 DBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000793189990 804726328 /nfs/dbraw/zinc/72/63/28/804726328.db2.gz HQRCYVUPWBGYMD-NSHDSACASA-N -1 0 317.367 -0.438 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000793320528 804728548 /nfs/dbraw/zinc/72/85/48/804728548.db2.gz IPNHWUIVGJKPOO-UHFFFAOYSA-N -1 0 315.351 -0.868 20 0 DBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NC/C=C\C(=O)[O-])cn1 ZINC000794906383 804751887 /nfs/dbraw/zinc/75/18/87/804751887.db2.gz JQSLUQJVDWZOLC-IHWYPQMZSA-N -1 0 320.348 -0.596 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N[C@H](CC1CCC1)C(=O)[O-] ZINC000794915167 804752875 /nfs/dbraw/zinc/75/28/75/804752875.db2.gz RXNYGNZXPMKIJW-SECBINFHSA-N -1 0 313.397 -0.406 20 0 DBADRM CC(=O)N1CCCC[C@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000796263613 804770229 /nfs/dbraw/zinc/77/02/29/804770229.db2.gz ANYGYXDTAIPDKP-QWRGUYRKSA-N -1 0 308.342 -0.499 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000796824225 804773732 /nfs/dbraw/zinc/77/37/32/804773732.db2.gz XWOKUUMHQYAXAZ-SECBINFHSA-N -1 0 307.372 -0.679 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C[C@H]1CCC(=O)[C@H]1C ZINC000796764172 804774273 /nfs/dbraw/zinc/77/42/73/804774273.db2.gz VKLFFKQANOWVTF-VHSXEESVSA-N -1 0 306.384 -0.069 20 0 DBADRM CC(=O)N[C@H](CC1CCC1)C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796873138 804774708 /nfs/dbraw/zinc/77/47/08/804774708.db2.gz JVGOPIIEUDDJMV-SNVBAGLBSA-N -1 0 314.367 -0.091 20 0 DBADRM Cc1sc(=O)n(CC(=O)[N-]S(=O)(=O)c2cc[nH]n2)c1C ZINC000796872435 804774844 /nfs/dbraw/zinc/77/48/44/804774844.db2.gz DVARHVWCDGAVHM-UHFFFAOYSA-N -1 0 316.364 -0.245 20 0 DBADRM COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796881508 804774916 /nfs/dbraw/zinc/77/49/16/804774916.db2.gz GNQOUVJAEGJIRY-UHFFFAOYSA-N -1 0 304.328 -0.307 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1cc(C)ccn1 ZINC000796882035 804775006 /nfs/dbraw/zinc/77/50/06/804775006.db2.gz JIEIFEGOGQVUJG-UHFFFAOYSA-N -1 0 300.340 -0.486 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)c1ccc(-n2cnnn2)cc1 ZINC000796882462 804775021 /nfs/dbraw/zinc/77/50/21/804775021.db2.gz MLVDQYVCKSOHLX-UHFFFAOYSA-N -1 0 319.306 -0.496 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)C1 ZINC000796882910 804775065 /nfs/dbraw/zinc/77/50/65/804775065.db2.gz KUUQGFWDRMVLPN-SECBINFHSA-N -1 0 314.367 -0.137 20 0 DBADRM NC(=O)c1ccccc1CCC(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796873053 804775157 /nfs/dbraw/zinc/77/51/57/804775157.db2.gz IAHDOLWQIJPRPT-UHFFFAOYSA-N -1 0 322.346 -0.054 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)N2CCOCC2)nnn1C(C)C ZINC000796921043 804775519 /nfs/dbraw/zinc/77/55/19/804775519.db2.gz GNSDQMSLSBEBSW-UHFFFAOYSA-N -1 0 317.371 -0.526 20 0 DBADRM CC(C)n1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)nn1 ZINC000796920967 804775659 /nfs/dbraw/zinc/77/56/59/804775659.db2.gz FDPHBXCXPYMUCE-UHFFFAOYSA-N -1 0 303.344 -0.834 20 0 DBADRM CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796889036 804776036 /nfs/dbraw/zinc/77/60/36/804776036.db2.gz DVKWNEBVPNWDJZ-UHFFFAOYSA-N -1 0 302.356 -0.233 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCc1ccn(C)n1 ZINC000796962481 804776437 /nfs/dbraw/zinc/77/64/37/804776437.db2.gz FDIBXPSYIKHMIW-UHFFFAOYSA-N -1 0 304.372 -0.708 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)[nH]1 ZINC000796996824 804776917 /nfs/dbraw/zinc/77/69/17/804776917.db2.gz QFSDLWGQPGGLSM-MRVPVSSYSA-N -1 0 316.335 -0.103 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cnc2c(F)cccc2c1 ZINC000797057325 804777031 /nfs/dbraw/zinc/77/70/31/804777031.db2.gz KTWFUSIZJNXZEF-UHFFFAOYSA-N -1 0 311.294 -0.081 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnc(COC)s1 ZINC000797126882 804777573 /nfs/dbraw/zinc/77/75/73/804777573.db2.gz BIXIJSIGTJBBJJ-UHFFFAOYSA-N -1 0 323.396 -0.158 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccoc1CC(N)=O ZINC000797132376 804777899 /nfs/dbraw/zinc/77/78/99/804777899.db2.gz QEVVZGRHHOMHRJ-UHFFFAOYSA-N -1 0 303.340 -0.376 20 0 DBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000797257348 804778613 /nfs/dbraw/zinc/77/86/13/804778613.db2.gz HXHCPMRSZUMSTI-UHFFFAOYSA-N -1 0 319.360 -0.529 20 0 DBADRM Cn1c(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2ccccc2c1=O ZINC000797273522 804778666 /nfs/dbraw/zinc/77/86/66/804778666.db2.gz JMJDPAPECTVRQN-UHFFFAOYSA-N -1 0 323.330 -0.917 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC000797283637 804778753 /nfs/dbraw/zinc/77/87/53/804778753.db2.gz KIRFLMQHGFPVTI-SCZZXKLOSA-N -1 0 320.367 -0.748 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC000797263784 804778786 /nfs/dbraw/zinc/77/87/86/804778786.db2.gz DDFUSNAESJNNMA-UHFFFAOYSA-N -1 0 320.289 -0.510 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2 ZINC000797280510 804778816 /nfs/dbraw/zinc/77/88/16/804778816.db2.gz JFQNCARIMLTMLX-SSDOTTSWSA-N -1 0 317.323 -0.713 20 0 DBADRM COCc1nc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)co1 ZINC000797282818 804778861 /nfs/dbraw/zinc/77/88/61/804778861.db2.gz HZHBEPKALNHQHU-ZCFIWIBFSA-N -1 0 306.296 -0.558 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000797278221 804778971 /nfs/dbraw/zinc/77/89/71/804778971.db2.gz BTZXWVFXPGKEIS-YUMQZZPRSA-N -1 0 315.351 -0.478 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc(C)nc1C ZINC000797283119 804779072 /nfs/dbraw/zinc/77/90/72/804779072.db2.gz OVCVOMATMTVMNN-SSDOTTSWSA-N -1 0 301.324 -0.285 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)c1cnn(C)c1 ZINC000797285773 804779608 /nfs/dbraw/zinc/77/96/08/804779608.db2.gz VUOXNKNQDBXZIU-SFYZADRCSA-N -1 0 303.340 -0.469 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCOCC(F)F ZINC000797288930 804779747 /nfs/dbraw/zinc/77/97/47/804779747.db2.gz BYOIDYPHCJTZRA-LURJTMIESA-N -1 0 303.283 -0.334 20 0 DBADRM CCOc1nc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)co1 ZINC000797290837 804779803 /nfs/dbraw/zinc/77/98/03/804779803.db2.gz CQPUMUOWDSEIQY-LURJTMIESA-N -1 0 306.296 -0.306 20 0 DBADRM CCCc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)[nH]n1 ZINC000797287136 804779839 /nfs/dbraw/zinc/77/98/39/804779839.db2.gz ZPFZVOCOUPROBK-ZETCQYMHSA-N -1 0 303.340 -0.017 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)COC[C@H]1CCCO1 ZINC000797295385 804779856 /nfs/dbraw/zinc/77/98/56/804779856.db2.gz UQTNMNMHBSIUQP-RKDXNWHRSA-N -1 0 309.340 -0.811 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)C1 ZINC000797290690 804779930 /nfs/dbraw/zinc/77/99/30/804779930.db2.gz CBPWMJCFDWLJLJ-IUCAKERBSA-N -1 0 320.367 -0.748 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)nn1 ZINC000797299941 804780501 /nfs/dbraw/zinc/78/05/01/804780501.db2.gz OFUIWAJDUYSHKC-ZETCQYMHSA-N -1 0 304.328 -0.691 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc(OC)nc1 ZINC000797304284 804780789 /nfs/dbraw/zinc/78/07/89/804780789.db2.gz NAUOLYXLLHZMDF-LURJTMIESA-N -1 0 303.296 -0.894 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000798168080 804785825 /nfs/dbraw/zinc/78/58/25/804785825.db2.gz ZPWDXXXMZPSBOD-GXFFZTMASA-N -1 0 315.370 -0.033 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000798201797 804787542 /nfs/dbraw/zinc/78/75/42/804787542.db2.gz YZHAMZRGGUMMFK-OYNCUSHFSA-N -1 0 305.352 -0.001 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccnc1OC ZINC000798199940 804787621 /nfs/dbraw/zinc/78/76/21/804787621.db2.gz IDUGLIUWHMGHAA-SSDOTTSWSA-N -1 0 302.308 -0.289 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)O[C@@H]1CCC(=O)NC1=O ZINC000798658184 804798140 /nfs/dbraw/zinc/79/81/40/804798140.db2.gz WPUMHDNRTAXWDC-RXMQYKEDSA-N -1 0 310.228 -0.208 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)N1CCCCC1)c1cnn(C)c1 ZINC000798819005 804801141 /nfs/dbraw/zinc/80/11/41/804801141.db2.gz HSIZVUPVJBAACV-NSHDSACASA-N -1 0 316.383 -0.046 20 0 DBADRM Cn1nncc1C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000798794660 804801375 /nfs/dbraw/zinc/80/13/75/804801375.db2.gz VJPAZRFRKFORHQ-UHFFFAOYSA-N -1 0 321.318 -0.006 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cnnn2C)c1 ZINC000798822170 804801776 /nfs/dbraw/zinc/80/17/76/804801776.db2.gz NIIINANQEHGOSG-UHFFFAOYSA-N -1 0 324.318 -0.280 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)c1cnn(C)c1 ZINC000798830994 804802318 /nfs/dbraw/zinc/80/23/18/804802318.db2.gz YKIAEDVEFOPCBI-ZJUUUORDSA-N -1 0 303.340 -0.658 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)c1cnn(C)c1 ZINC000798830992 804802536 /nfs/dbraw/zinc/80/25/36/804802536.db2.gz YKIAEDVEFOPCBI-VHSXEESVSA-N -1 0 303.340 -0.658 20 0 DBADRM CC(C)(C)/C=C\C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001284932488 804802681 /nfs/dbraw/zinc/80/26/81/804802681.db2.gz XNYUOIRNJMQHHO-PLNGDYQASA-N -1 0 323.353 -0.381 20 0 DBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000798864052 804803087 /nfs/dbraw/zinc/80/30/87/804803087.db2.gz FDKLMNQNNFIOCK-UHFFFAOYSA-N -1 0 308.319 -0.131 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1)c1cnn(C)c1 ZINC000798851166 804803116 /nfs/dbraw/zinc/80/31/16/804803116.db2.gz VIABZANSASDTSG-WDEREUQCSA-N -1 0 317.367 -0.267 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000800400316 804824674 /nfs/dbraw/zinc/82/46/74/804824674.db2.gz ZSIXRJNADJAKTQ-HBNTYKKESA-N -1 0 309.384 -0.091 20 0 DBADRM Cc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nc(C)n1 ZINC000800550662 804825301 /nfs/dbraw/zinc/82/53/01/804825301.db2.gz DOWPVUPPRMHSLB-UHFFFAOYSA-N -1 0 300.340 -0.711 20 0 DBADRM CCOCCO[C@H](C)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800550842 804825349 /nfs/dbraw/zinc/82/53/49/804825349.db2.gz IKORDXHFZZZOMO-SECBINFHSA-N -1 0 310.372 -0.990 20 0 DBADRM Cc1nc(CCC(=O)NCCC(=O)[N-]S(C)(=O)=O)cs1 ZINC000800549099 804825616 /nfs/dbraw/zinc/82/56/16/804825616.db2.gz IABSRORZKREVSX-UHFFFAOYSA-N -1 0 319.408 -0.034 20 0 DBADRM CC(=O)CCC(C)(C)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800549402 804825666 /nfs/dbraw/zinc/82/56/66/804825666.db2.gz KSGZDTUMVOZWJB-UHFFFAOYSA-N -1 0 306.384 -0.036 20 0 DBADRM Cc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(C)nn1 ZINC000800551850 804826088 /nfs/dbraw/zinc/82/60/88/804826088.db2.gz UHIAKRKPVXPPQK-UHFFFAOYSA-N -1 0 300.340 -0.711 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCc1ccc(O)cc1 ZINC000800552414 804826264 /nfs/dbraw/zinc/82/62/64/804826264.db2.gz WUDUKVWJSFJRLZ-UHFFFAOYSA-N -1 0 314.363 -0.093 20 0 DBADRM CN(CCOCCO)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000800686845 804827133 /nfs/dbraw/zinc/82/71/33/804827133.db2.gz WFRXHJBBVMRUFS-UHFFFAOYSA-N -1 0 300.277 -0.089 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c(Cl)n1 ZINC000800831433 804827865 /nfs/dbraw/zinc/82/78/65/804827865.db2.gz URGHVVCHNUBINI-UHFFFAOYSA-N -1 0 321.742 -0.477 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccnc3c2nnn3C)cn1 ZINC000802034349 804841306 /nfs/dbraw/zinc/84/13/06/804841306.db2.gz JSCQCSLXAHPIHC-UHFFFAOYSA-N -1 0 321.322 -0.785 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1 ZINC000802168508 804843248 /nfs/dbraw/zinc/84/32/48/804843248.db2.gz VMLWRUYQKFEWFM-RKDXNWHRSA-N -1 0 317.367 -0.394 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)C1(C(=O)OC)CC1 ZINC000802167324 804843797 /nfs/dbraw/zinc/84/37/97/804843797.db2.gz MGSUKXHKRLDJCO-HTQZYQBOSA-N -1 0 321.351 -0.417 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cncnc1 ZINC000802167009 804843876 /nfs/dbraw/zinc/84/38/76/804843876.db2.gz KNJRYYBYZCNMJR-YUMQZZPRSA-N -1 0 301.324 -0.266 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C ZINC000802165021 804843886 /nfs/dbraw/zinc/84/38/86/804843886.db2.gz CDEXCSQXEDCZRB-YIZRAAEISA-N -1 0 320.367 -0.749 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)cn1 ZINC000802229061 804844091 /nfs/dbraw/zinc/84/40/91/804844091.db2.gz PXWVBUYJLILROX-UHFFFAOYSA-N -1 0 311.323 -0.423 20 0 DBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)CCn1ccnn1 ZINC000802227963 804844273 /nfs/dbraw/zinc/84/42/73/804844273.db2.gz DRVIQYINWBYCAK-UHFFFAOYSA-N -1 0 304.372 -0.071 20 0 DBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)c1=O ZINC000802204559 804844639 /nfs/dbraw/zinc/84/46/39/804844639.db2.gz CCNQDUWCKYRNAC-UHFFFAOYSA-N -1 0 322.346 -0.353 20 0 DBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000802206782 804844735 /nfs/dbraw/zinc/84/47/35/804844735.db2.gz MBCHSTGFNHALJU-QMMMGPOBSA-N -1 0 315.351 -0.167 20 0 DBADRM Cc1cc(COCC(=O)[N-]S(=O)(=O)c2cc[nH]n2)on1 ZINC000802211985 804844834 /nfs/dbraw/zinc/84/48/34/804844834.db2.gz ARXHQLOXXZTKAZ-UHFFFAOYSA-N -1 0 300.296 -0.272 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)COCc1cc(C)no1 ZINC000802229575 804845857 /nfs/dbraw/zinc/84/58/57/804845857.db2.gz USUNJDHBMPVERS-VIFPVBQESA-N -1 0 306.340 -0.019 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)COC(F)F ZINC000802767106 804847358 /nfs/dbraw/zinc/84/73/58/804847358.db2.gz LJVZLLUCQPVCAF-NTSWFWBYSA-N -1 0 303.283 -0.131 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CC1OCCO1 ZINC000802766498 804847220 /nfs/dbraw/zinc/84/72/20/804847220.db2.gz DSKPMPRIIWPAMO-HTQZYQBOSA-N -1 0 309.340 -0.607 20 0 DBADRM COc1ncc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)cn1 ZINC000803004332 804849060 /nfs/dbraw/zinc/84/90/60/804849060.db2.gz CPPDPMXQTUXWPT-VIFPVBQESA-N -1 0 315.351 -0.029 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1)C(=O)C1CC1 ZINC000802999104 804849290 /nfs/dbraw/zinc/84/92/90/804849290.db2.gz FMVROBBFFBYWEG-JTQLQIEISA-N -1 0 318.395 -0.273 20 0 DBADRM CN(C)C(=O)CCCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000802981119 804849316 /nfs/dbraw/zinc/84/93/16/804849316.db2.gz LHJVODPBSFNZHQ-UHFFFAOYSA-N -1 0 307.310 -0.517 20 0 DBADRM COCCCOCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803012234 804849345 /nfs/dbraw/zinc/84/93/45/804849345.db2.gz YBOMGIJFHGCTIK-LLVKDONJSA-N -1 0 309.384 -0.088 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCCN(C(=O)OC)C1 ZINC000804010757 804860965 /nfs/dbraw/zinc/86/09/65/804860965.db2.gz VEYFWXISMDRAEU-SECBINFHSA-N -1 0 303.315 -0.972 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCCN(C(=O)OC)C1 ZINC000804015250 804861988 /nfs/dbraw/zinc/86/19/88/804861988.db2.gz YDIXVVZRAURNAF-JTQLQIEISA-N -1 0 317.342 -0.582 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C ZINC000804043637 804863542 /nfs/dbraw/zinc/86/35/42/804863542.db2.gz XQJZQZAPUZXUCH-SECBINFHSA-N -1 0 319.358 -0.290 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)NCCOc1cccnc1 ZINC000804075914 804866038 /nfs/dbraw/zinc/86/60/38/804866038.db2.gz MNYHTRLCDJBCMA-UHFFFAOYSA-N -1 0 309.322 -0.197 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)CCCOC(C)=O)CCOC1 ZINC000805033087 804883271 /nfs/dbraw/zinc/88/32/71/804883271.db2.gz FLTOYAPGDIXLBV-NSHDSACASA-N -1 0 309.340 -0.809 20 0 DBADRM CN1C(=O)CN([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1=O ZINC000805057105 804884108 /nfs/dbraw/zinc/88/41/08/804884108.db2.gz DCXCFNXPFVHJMN-UHFFFAOYSA-N -1 0 322.705 -0.039 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@H](O)C(F)(F)C(F)(F)F ZINC000883763764 807025120 /nfs/dbraw/zinc/02/51/20/807025120.db2.gz ICNXNSVBLLQYFE-YFKPBYRVSA-N -1 0 323.218 -0.088 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000805639116 804900264 /nfs/dbraw/zinc/90/02/64/804900264.db2.gz ANBRKBDEZMYGPM-GFCCVEGCSA-N -1 0 321.333 -0.398 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)COCc1cccnc1 ZINC000805894976 804905023 /nfs/dbraw/zinc/90/50/23/804905023.db2.gz AQRZYXUCKDRXGS-UHFFFAOYSA-N -1 0 317.367 -0.463 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)COCc1cccnc1 ZINC000805915543 804905081 /nfs/dbraw/zinc/90/50/81/804905081.db2.gz MNGIDFJSBRUPJZ-SECBINFHSA-N -1 0 316.335 -0.394 20 0 DBADRM O=C(Cc1ccc(F)cn1)[N-]S(=O)(=O)N1CCOCC1 ZINC000805887598 804905313 /nfs/dbraw/zinc/90/53/13/804905313.db2.gz BZTOOQGTYJYJTK-UHFFFAOYSA-N -1 0 303.315 -0.544 20 0 DBADRM C/C=C(/C)C(=O)NC/C=C/CNC(=O)c1cnc([O-])n(C)c1=O ZINC001285517269 804905685 /nfs/dbraw/zinc/90/56/85/804905685.db2.gz HOOGBAWWRPRLSH-AHRCELJFSA-N -1 0 320.349 -0.146 20 0 DBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)C2(C)CC2)CC1=O ZINC000806031357 804909455 /nfs/dbraw/zinc/90/94/55/804909455.db2.gz DUVVIEYGHHQVNP-VIFPVBQESA-N -1 0 304.368 -0.520 20 0 DBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)C2(C)CC2)CC1=O ZINC000806031355 804909680 /nfs/dbraw/zinc/90/96/80/804909680.db2.gz DUVVIEYGHHQVNP-SECBINFHSA-N -1 0 304.368 -0.520 20 0 DBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C1(C)CC1)C(C)C ZINC000806029225 804909719 /nfs/dbraw/zinc/90/97/19/804909719.db2.gz IOPBLXZNKCUKGZ-JTQLQIEISA-N -1 0 306.384 -0.228 20 0 DBADRM COCc1ccccc1CS(=O)(=O)[N-]C(=O)CNC(C)=O ZINC000806094676 804910731 /nfs/dbraw/zinc/91/07/31/804910731.db2.gz UDNRSXYOLLWMBQ-UHFFFAOYSA-N -1 0 314.363 -0.085 20 0 DBADRM CC1(C)OCC(NC(=O)C(=O)[N-]OC2CCOCC2)CO1 ZINC000806656745 804921905 /nfs/dbraw/zinc/92/19/05/804921905.db2.gz NWUMJQIAZGSJLM-UHFFFAOYSA-N -1 0 302.327 -0.519 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCOC[C@H]1OCC ZINC000807126053 804931720 /nfs/dbraw/zinc/93/17/20/804931720.db2.gz VHDDNHFWLWBINU-WDEREUQCSA-N -1 0 304.343 -0.619 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000808278544 804955423 /nfs/dbraw/zinc/95/54/23/804955423.db2.gz XXQYIRIOSKDCDF-MNOVXSKESA-N -1 0 304.343 -0.619 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000808279788 804955930 /nfs/dbraw/zinc/95/59/30/804955930.db2.gz VYTWFRVGYQUCEP-NXEZZACHSA-N -1 0 306.384 -0.293 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)/C=C\C1CC1 ZINC001285758675 804961185 /nfs/dbraw/zinc/96/11/85/804961185.db2.gz OJGALOMYAZCOIW-RPSMYOMKSA-N -1 0 321.337 -0.174 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1ccnc(N(C)C)n1 ZINC000808870134 804965349 /nfs/dbraw/zinc/96/53/49/804965349.db2.gz RZOSWAQEHXSCKH-UHFFFAOYSA-N -1 0 311.342 -0.757 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)nn1 ZINC000808976723 804966338 /nfs/dbraw/zinc/96/63/38/804966338.db2.gz YWPRWLOZLJECCN-UHFFFAOYSA-N -1 0 324.318 -0.295 20 0 DBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1cc(OC)ncn1 ZINC000808966839 804966513 /nfs/dbraw/zinc/96/65/13/804966513.db2.gz VILZIJSPMKVSDA-UHFFFAOYSA-N -1 0 312.282 -0.575 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)[N-]OCc1ccccc1OC ZINC000808945991 804966748 /nfs/dbraw/zinc/96/67/48/804966748.db2.gz LCUVFLZUYQCIJF-UHFFFAOYSA-N -1 0 323.349 -0.163 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(CCF)c1 ZINC000808998941 804967565 /nfs/dbraw/zinc/96/75/65/804967565.db2.gz XBXKLXSGCHLIKB-ZETCQYMHSA-N -1 0 307.303 -0.526 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1cnn(CCF)c1 ZINC000808995007 804967779 /nfs/dbraw/zinc/96/77/79/804967779.db2.gz ISCAITQJVHWNLJ-VIFPVBQESA-N -1 0 305.331 -0.051 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@H]1CCCC(=O)N1 ZINC000808998767 804967843 /nfs/dbraw/zinc/96/78/43/804967843.db2.gz ROTMXBRYXNNTRD-HTQZYQBOSA-N -1 0 306.340 -0.947 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)nn2)cc1 ZINC000808997151 804967865 /nfs/dbraw/zinc/96/78/65/804967865.db2.gz SBQXPZRKFQJTBX-UHFFFAOYSA-N -1 0 323.334 -0.707 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CN(C)C(=O)C1CC1 ZINC000809031542 804969161 /nfs/dbraw/zinc/96/91/61/804969161.db2.gz IBKGCVGVAFNNAJ-UHFFFAOYSA-N -1 0 314.367 -0.598 20 0 DBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C)CC1 ZINC000809035626 804969696 /nfs/dbraw/zinc/96/96/96/804969696.db2.gz XXDVDAJSCURWFZ-UHFFFAOYSA-N -1 0 301.324 -0.513 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H](c1ccnn1C)C(C)C ZINC000809794426 804980555 /nfs/dbraw/zinc/98/05/55/804980555.db2.gz XXOSKKDFXRQKGZ-LLVKDONJSA-N -1 0 312.370 -0.030 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCC1([S@@](C)=O)CCC1 ZINC000809897322 804984553 /nfs/dbraw/zinc/98/45/53/804984553.db2.gz YNUKRDPBFUWHAS-LJQANCHMSA-N -1 0 308.425 -0.185 20 0 DBADRM Cn1cc(S(=O)(=O)NCCc2nc(=O)o[n-]2)nc1Cl ZINC000810074843 804988377 /nfs/dbraw/zinc/98/83/77/804988377.db2.gz ATBPYBHAMMUUPB-UHFFFAOYSA-N -1 0 307.719 -0.729 20 0 DBADRM CC1(C)COc2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc21 ZINC000810668699 804997248 /nfs/dbraw/zinc/99/72/48/804997248.db2.gz YKTPNMJUATXRGW-UHFFFAOYSA-N -1 0 312.347 -0.099 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1nnc2ccccc2n1 ZINC000810671572 804998039 /nfs/dbraw/zinc/99/80/39/804998039.db2.gz SXFHTCYAIGMRHY-ZETCQYMHSA-N -1 0 324.318 -0.354 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)COC[C@H]1CCCO1 ZINC000810827142 805000707 /nfs/dbraw/zinc/00/07/07/805000707.db2.gz JOIWFQFPWUPZHZ-MRVPVSSYSA-N -1 0 319.339 -0.434 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)o2)CC1 ZINC000811151499 805004567 /nfs/dbraw/zinc/00/45/67/805004567.db2.gz QCAUFJXSYJKCAA-UHFFFAOYSA-N -1 0 302.308 -0.383 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CCn1cccn1 ZINC000811137713 805004676 /nfs/dbraw/zinc/00/46/76/805004676.db2.gz FMZDZCQLRJPOHS-UHFFFAOYSA-N -1 0 317.367 -0.082 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cnnn1C ZINC000811136300 805005095 /nfs/dbraw/zinc/00/50/95/805005095.db2.gz ZYXRAVPGMXHXJN-UHFFFAOYSA-N -1 0 304.328 -0.926 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cc(C)n(C)n1 ZINC000811143547 805005117 /nfs/dbraw/zinc/00/51/17/805005117.db2.gz VJZRKTNCTGUXCR-UHFFFAOYSA-N -1 0 317.367 -0.013 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CC1OCCO1 ZINC000811142421 805005226 /nfs/dbraw/zinc/00/52/26/805005226.db2.gz GQYIOZQQRQMZMP-UHFFFAOYSA-N -1 0 309.340 -0.605 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)CCn2ccccc2=O)CC1 ZINC000811153859 805005469 /nfs/dbraw/zinc/00/54/69/805005469.db2.gz USKNUIPDINWPCL-UHFFFAOYSA-N -1 0 314.363 -0.137 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cc(C(=O)OC)no2)CC1 ZINC000811160970 805006048 /nfs/dbraw/zinc/00/60/48/805006048.db2.gz QWSWGIWYKHRELB-UHFFFAOYSA-N -1 0 318.307 -0.300 20 0 DBADRM C/C=C(/C)C(=O)N1CC(CCO)(NC(=O)c2cnc[nH]c2=O)C1 ZINC001285947262 805006411 /nfs/dbraw/zinc/00/64/11/805006411.db2.gz HARCZPZYSKYGJR-KMKOMSMNSA-N -1 0 320.349 -0.158 20 0 DBADRM COC(=O)CCCO[N-]C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000811562762 805011242 /nfs/dbraw/zinc/01/12/42/805011242.db2.gz WMJBBKWIHUJEMM-UHFFFAOYSA-N -1 0 323.309 -0.869 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000811561676 805011472 /nfs/dbraw/zinc/01/14/72/805011472.db2.gz XGMQGDXTQQVELM-VIFPVBQESA-N -1 0 308.356 -0.589 20 0 DBADRM CC(C)OCCO[N-]C(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000813052871 805025990 /nfs/dbraw/zinc/02/59/90/805025990.db2.gz ARGVBWQDCBZAII-UHFFFAOYSA-N -1 0 311.342 -0.046 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CSC(C)C)CC1 ZINC000813945348 805035979 /nfs/dbraw/zinc/03/59/79/805035979.db2.gz HOPUBXBQBZAHQN-UHFFFAOYSA-N -1 0 323.440 -0.347 20 0 DBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000813950810 805036459 /nfs/dbraw/zinc/03/64/59/805036459.db2.gz HLKAFQJGDIMXFA-UHFFFAOYSA-N -1 0 305.356 -0.413 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813950498 805036706 /nfs/dbraw/zinc/03/67/06/805036706.db2.gz SKFFVNRREZAFEB-VXGBXAGGSA-N -1 0 317.411 -0.052 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCSC2)CC1 ZINC000813949801 805037082 /nfs/dbraw/zinc/03/70/82/805037082.db2.gz DLDJHTMTHZCDMG-SNVBAGLBSA-N -1 0 321.424 -0.735 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2ccc(=O)n(C)c2)cnn1C ZINC000813954631 805037332 /nfs/dbraw/zinc/03/73/32/805037332.db2.gz IIBCKGASGMEBEP-UHFFFAOYSA-N -1 0 310.335 -0.454 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2coc(C(N)=O)c2)cnn1C ZINC000813953765 805037751 /nfs/dbraw/zinc/03/77/51/805037751.db2.gz ZOSLPVCXQMUDNQ-UHFFFAOYSA-N -1 0 312.307 -0.461 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CCN1CCCC1=O ZINC000813986643 805038528 /nfs/dbraw/zinc/03/85/28/805038528.db2.gz QSMKONVDMKYZKC-UHFFFAOYSA-N -1 0 314.367 -0.454 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000815926188 805061365 /nfs/dbraw/zinc/06/13/65/805061365.db2.gz FZTORDJZNSINHZ-AOOOYVTPSA-N -1 0 314.363 -0.208 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)n1C ZINC000815963413 805062087 /nfs/dbraw/zinc/06/20/87/805062087.db2.gz ZMKQKZLVMIAUEY-UHFFFAOYSA-N -1 0 303.340 -0.262 20 0 DBADRM O=C(CN1CCCCC1=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000815969935 805062111 /nfs/dbraw/zinc/06/21/11/805062111.db2.gz LBDQSNCKFOZCPC-UHFFFAOYSA-N -1 0 301.324 -0.367 20 0 DBADRM CCC(CC)S(=O)(=O)[N-]C(=O)COCc1nncn1C ZINC000815948715 805062724 /nfs/dbraw/zinc/06/27/24/805062724.db2.gz RSLDLUARCIICDD-UHFFFAOYSA-N -1 0 304.372 -0.034 20 0 DBADRM CO[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000815962862 805062998 /nfs/dbraw/zinc/06/29/98/805062998.db2.gz DPXMUFBNBPRBJQ-WDEREUQCSA-N -1 0 306.384 -0.115 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)CN1CCCCC1=O ZINC000815987012 805063244 /nfs/dbraw/zinc/06/32/44/805063244.db2.gz PVHFYWSMRLZIDS-UHFFFAOYSA-N -1 0 322.383 -0.892 20 0 DBADRM CC(C)(C)Oc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)nc1 ZINC000816013914 805063753 /nfs/dbraw/zinc/06/37/53/805063753.db2.gz GKKHOCUPVXVWPW-UHFFFAOYSA-N -1 0 315.351 -0.196 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC)n1 ZINC000816025430 805064464 /nfs/dbraw/zinc/06/44/64/805064464.db2.gz VEOCVZGGKOPJBX-YUMQZZPRSA-N -1 0 318.355 -0.445 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CN1CCCCC1=O ZINC000816015830 805064876 /nfs/dbraw/zinc/06/48/76/805064876.db2.gz WYJNOMZBCVBTJR-MRVPVSSYSA-N -1 0 306.340 -0.994 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)C2(COC)CC2)n1 ZINC000816090298 805065192 /nfs/dbraw/zinc/06/51/92/805065192.db2.gz FHJIBINEKANRTG-UHFFFAOYSA-N -1 0 302.356 -0.155 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)C2CCC2)nnn1-c1ccn(C)n1 ZINC000816050528 805065380 /nfs/dbraw/zinc/06/53/80/805065380.db2.gz SJQNIUFQZLPXPW-UHFFFAOYSA-N -1 0 324.366 -0.079 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000816046560 805065680 /nfs/dbraw/zinc/06/56/80/805065680.db2.gz DLVCASMXCXUAOP-UHFFFAOYSA-N -1 0 311.323 -0.180 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)c[nH]1 ZINC000816049889 805065689 /nfs/dbraw/zinc/06/56/89/805065689.db2.gz YQMRTASBZQWYCK-ZETCQYMHSA-N -1 0 304.324 -0.104 20 0 DBADRM Cc1cc(=O)[nH]c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000816450195 805071227 /nfs/dbraw/zinc/07/12/27/805071227.db2.gz OTRMYBAWYGSVGP-UHFFFAOYSA-N -1 0 301.324 -0.709 20 0 DBADRM C[C@@H](CCCNC(=O)C(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001287272184 805071937 /nfs/dbraw/zinc/07/19/37/805071937.db2.gz FTMKSVUNDWJKMC-YFKPBYRVSA-N -1 0 319.268 -0.437 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cccnc1N1CCOCC1 ZINC000816732407 805079235 /nfs/dbraw/zinc/07/92/35/805079235.db2.gz FOWUEGJCXCNBDF-UHFFFAOYSA-N -1 0 306.282 -0.695 20 0 DBADRM O=C(CNC(=O)c1ccc(F)cc1F)Nn1c(=O)[n-][nH]c1=O ZINC000816731832 805079459 /nfs/dbraw/zinc/07/94/59/805079459.db2.gz HKRJFCPSMJCDLV-UHFFFAOYSA-N -1 0 313.220 -0.532 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000816731745 805079607 /nfs/dbraw/zinc/07/96/07/805079607.db2.gz DAFIHDZYFVMPJT-SSDOTTSWSA-N -1 0 307.266 -0.599 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000816731882 805079846 /nfs/dbraw/zinc/07/98/46/805079846.db2.gz JJRFVHMYSXAFRH-SNVBAGLBSA-N -1 0 317.305 -0.192 20 0 DBADRM C[C@H]1Oc2ccccc2N(CC(=O)Nn2c(=O)[n-][nH]c2=O)C1=O ZINC000816734521 805080924 /nfs/dbraw/zinc/08/09/24/805080924.db2.gz SDQFFNIGLPPTMD-SSDOTTSWSA-N -1 0 319.277 -0.427 20 0 DBADRM CC[C@H](C)CO[N-]C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000816977309 805090250 /nfs/dbraw/zinc/09/02/50/805090250.db2.gz WWSDBGKVYNJGDQ-NSHDSACASA-N -1 0 307.416 -0.343 20 0 DBADRM CSCC[C@H](C)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000817110510 805090572 /nfs/dbraw/zinc/09/05/72/805090572.db2.gz GOWYNIYILURQBW-DTWKUNHWSA-N -1 0 304.368 -0.444 20 0 DBADRM CC(C)(C)SCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000817107766 805090637 /nfs/dbraw/zinc/09/06/37/805090637.db2.gz GOWIQGMKQSGBJP-VIFPVBQESA-N -1 0 318.395 -0.054 20 0 DBADRM CS[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000817116279 805092228 /nfs/dbraw/zinc/09/22/28/805092228.db2.gz RYBCKCFGSUBBJG-OPRDCNLKSA-N -1 0 316.379 -0.301 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[N-]OCCC1CC1 ZINC000817446687 805093870 /nfs/dbraw/zinc/09/38/70/805093870.db2.gz SKWKPTZCYVTLBB-VIFPVBQESA-N -1 0 316.383 -0.065 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(=O)[N-]OCCC2CC2)cn1C ZINC000817446813 805094691 /nfs/dbraw/zinc/09/46/91/805094691.db2.gz UKOQDMHLYAUQDF-UHFFFAOYSA-N -1 0 316.383 -0.145 20 0 DBADRM CON(C)C(=O)CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000817659322 805095429 /nfs/dbraw/zinc/09/54/29/805095429.db2.gz GENYMLPAHICDNP-UHFFFAOYSA-N -1 0 315.351 -0.192 20 0 DBADRM C[C@]1(F)CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000817908082 805103715 /nfs/dbraw/zinc/10/37/15/805103715.db2.gz NTNKWHLOMWJYKE-ZANVPECISA-N -1 0 302.302 -0.351 20 0 DBADRM COCCOCCC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818316085 805110609 /nfs/dbraw/zinc/11/06/09/805110609.db2.gz BZGWHISVESCCKG-JTQLQIEISA-N -1 0 312.326 -0.197 20 0 DBADRM CNC(=O)C1(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCC1 ZINC000818319780 805111472 /nfs/dbraw/zinc/11/14/72/805111472.db2.gz KYZWTMUAXUEJDQ-SECBINFHSA-N -1 0 321.337 -0.334 20 0 DBADRM CC[C@@H](CSC)N(C)C(=O)C(=O)NCCOCC(=O)[O-] ZINC000884476488 807051153 /nfs/dbraw/zinc/05/11/53/807051153.db2.gz RGSOBBPAJCSVCT-VIFPVBQESA-N -1 0 306.384 -0.196 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000884477571 807051207 /nfs/dbraw/zinc/05/12/07/807051207.db2.gz BBRRJRXKJAFBHR-GHGCINGOSA-N -1 0 322.361 -0.151 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C1 ZINC000884477766 807051524 /nfs/dbraw/zinc/05/15/24/807051524.db2.gz HCBSNPZTSXVDIN-NEJQNHLGSA-N -1 0 308.334 -0.541 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000884477866 807051652 /nfs/dbraw/zinc/05/16/52/807051652.db2.gz JKMWKMDTSLXRHB-ZJUUUORDSA-N -1 0 316.379 -0.300 20 0 DBADRM CCS(=O)(=O)CCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000818656059 805115192 /nfs/dbraw/zinc/11/51/92/805115192.db2.gz AOMIECSYTLHLEO-UHFFFAOYSA-N -1 0 322.383 -0.846 20 0 DBADRM C[C@H]1CC(F)(F)CCN1C(=O)C(=O)NCCOCC(=O)[O-] ZINC000884478334 807051704 /nfs/dbraw/zinc/05/17/04/807051704.db2.gz YAHGKUMXLZPDHQ-QMMMGPOBSA-N -1 0 308.281 -0.150 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)C(=O)[O-] ZINC000884478177 807051891 /nfs/dbraw/zinc/05/18/91/807051891.db2.gz SQIVDVIVKCIWCA-AYAQEJOPSA-N -1 0 310.350 -0.295 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N(CC(F)F)C1CCC1 ZINC000884478205 807052086 /nfs/dbraw/zinc/05/20/86/807052086.db2.gz UFRQNVFQELLTDY-UHFFFAOYSA-N -1 0 308.281 -0.150 20 0 DBADRM CN(C)c1cccc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)c1 ZINC000819094224 805121437 /nfs/dbraw/zinc/12/14/37/805121437.db2.gz ILRPWOAGVPNSEC-CYBMUJFWSA-N -1 0 314.363 -0.037 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC000819108083 805122208 /nfs/dbraw/zinc/12/22/08/805122208.db2.gz WCKUECJLAAEUMK-NSHDSACASA-N -1 0 310.372 -0.577 20 0 DBADRM C[C@H]1OCCN(S(=O)(=O)CC[C@H]2CCOC2)[C@@H]1C(=O)[O-] ZINC000819108985 805122743 /nfs/dbraw/zinc/12/27/43/805122743.db2.gz RGSKTLAAOFVDGP-MXWKQRLJSA-N -1 0 307.368 -0.083 20 0 DBADRM O=C([O-])C[C@@]1(NS(=O)(=O)N2CCOCC2)CCCOC1 ZINC000819107249 805122777 /nfs/dbraw/zinc/12/27/77/805122777.db2.gz FYFVGKBWGYWSBI-NSHDSACASA-N -1 0 308.356 -0.823 20 0 DBADRM O=C(c1cc2c(cn1)OCCO2)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000819255444 805126017 /nfs/dbraw/zinc/12/60/17/805126017.db2.gz AINVXHZINYBMBQ-LLVKDONJSA-N -1 0 318.293 -0.420 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCC(=O)N(C)OC)c1 ZINC000819576681 805129828 /nfs/dbraw/zinc/12/98/28/805129828.db2.gz VXXLPFOQXYAGMX-NRFANRHFSA-N -1 0 314.363 -0.061 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC000819620690 805132538 /nfs/dbraw/zinc/13/25/38/805132538.db2.gz QKBASJVJSNXRJK-JTQLQIEISA-N -1 0 322.369 -0.732 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCc1nc(N)n[nH]1 ZINC000820018282 805140931 /nfs/dbraw/zinc/14/09/31/805140931.db2.gz BLWMRMJMUOPRHP-ZETCQYMHSA-N -1 0 322.291 -0.251 20 0 DBADRM O=C(Cn1cnc2sccc2c1=O)Nn1c(=O)[n-][nH]c1=O ZINC000820288425 805152025 /nfs/dbraw/zinc/15/20/25/805152025.db2.gz MFLQMOXFASAMLE-UHFFFAOYSA-N -1 0 308.279 -0.769 20 0 DBADRM C[C@H](N(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C1(C)CC1 ZINC000820306900 805152837 /nfs/dbraw/zinc/15/28/37/805152837.db2.gz GZGFUNFRUWEISK-QMMMGPOBSA-N -1 0 319.369 -0.111 20 0 DBADRM Cc1ccc(S(N)(=O)=O)c(C(=O)Nn2c(=O)[n-][nH]c2=O)c1 ZINC000820292188 805153372 /nfs/dbraw/zinc/15/33/72/805153372.db2.gz QTOHWXAAAWLFBE-UHFFFAOYSA-N -1 0 313.295 -0.971 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)C[C@@H](C)n1cccn1 ZINC000820470176 805156706 /nfs/dbraw/zinc/15/67/06/805156706.db2.gz XAYAMMDESQDFPR-SECBINFHSA-N -1 0 303.340 -0.157 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@@H](C)n1cccn1 ZINC000820606621 805160994 /nfs/dbraw/zinc/16/09/94/805160994.db2.gz RYLQMUNVWAKTLX-BDAKNGLRSA-N -1 0 303.340 -0.158 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNC(=O)C2CC=CC2)c1[O-] ZINC001288072587 805161621 /nfs/dbraw/zinc/16/16/21/805161621.db2.gz FMQUSYYCQBJPLT-LLVKDONJSA-N -1 0 322.365 -0.061 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc2c(cn1)OCCO2 ZINC000820864687 805167982 /nfs/dbraw/zinc/16/79/82/805167982.db2.gz FNQSFEADHWAMNF-QMMMGPOBSA-N -1 0 316.335 -0.053 20 0 DBADRM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnsn2)c1 ZINC000821097242 805173344 /nfs/dbraw/zinc/17/33/44/805173344.db2.gz QCNOHLSLQNKSBS-UHFFFAOYSA-N -1 0 320.377 -0.014 20 0 DBADRM CC(C)=CC(=O)N(C)C1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001288288114 805180459 /nfs/dbraw/zinc/18/04/59/805180459.db2.gz JTDLLHKEXYTXLN-UHFFFAOYSA-N -1 0 323.353 -0.239 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NCC1(CO)COC1 ZINC000821539574 805184943 /nfs/dbraw/zinc/18/49/43/805184943.db2.gz KLWJOXKCHYUVLO-UHFFFAOYSA-N -1 0 322.317 -0.623 20 0 DBADRM CCCC(=O)N1CC=C(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001288419126 805186814 /nfs/dbraw/zinc/18/68/14/805186814.db2.gz ZAYFZSLWWXJWEC-UHFFFAOYSA-N -1 0 323.353 -0.236 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2 ZINC000821598635 805186831 /nfs/dbraw/zinc/18/68/31/805186831.db2.gz LPNPFFHIHHRULI-UHFFFAOYSA-N -1 0 315.351 -0.158 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)Cc1ccc(C(N)=O)cc1 ZINC000821624599 805186899 /nfs/dbraw/zinc/18/68/99/805186899.db2.gz PPCDSPYDTKZHTJ-UHFFFAOYSA-N -1 0 300.336 -0.580 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)Cc1c(C)nn(C)c1C ZINC000821598856 805187266 /nfs/dbraw/zinc/18/72/66/805187266.db2.gz VUJCEHOHTQAVCY-UHFFFAOYSA-N -1 0 317.367 -0.411 20 0 DBADRM COc1ccc(OC)c(CC(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000821744002 805189483 /nfs/dbraw/zinc/18/94/83/805189483.db2.gz JCFUHVPSUDAHOO-UHFFFAOYSA-N -1 0 310.306 -0.437 20 0 DBADRM CC(C)n1ncc2cc(C(=O)NCC(=O)NCC(=O)[O-])cnc21 ZINC000821748632 805190218 /nfs/dbraw/zinc/19/02/18/805190218.db2.gz WPHOIVHKTQZKHI-UHFFFAOYSA-N -1 0 319.321 -0.057 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCC[C@H]1CCOC1=O ZINC001288527004 805191253 /nfs/dbraw/zinc/19/12/53/805191253.db2.gz QDCIEVURZOFBLZ-VIFPVBQESA-N -1 0 319.321 -0.469 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](Cc1ccccc1)n1nnnc1C ZINC001289430429 805220201 /nfs/dbraw/zinc/22/02/01/805220201.db2.gz SUBKUDVKLHSTSR-LBPRGKRZSA-N -1 0 318.337 -0.441 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC001289430059 805220304 /nfs/dbraw/zinc/22/03/04/805220304.db2.gz QJDHHBGKORBSND-UHFFFAOYSA-N -1 0 316.317 -0.250 20 0 DBADRM CC(C)OCCO[N-]C(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC000823077132 805223582 /nfs/dbraw/zinc/22/35/82/805223582.db2.gz QSECVHHRHNVSIH-NWDGAFQWSA-N -1 0 310.354 -0.111 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1COc2ccccc21 ZINC000823127245 805224366 /nfs/dbraw/zinc/22/43/66/805224366.db2.gz XODUEYCYSFLGSH-SECBINFHSA-N -1 0 312.293 -0.292 20 0 DBADRM CN(C)CCO[N-]C(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000823254795 805227603 /nfs/dbraw/zinc/22/76/03/805227603.db2.gz DECQCFSKIREEIF-JGVFFNPUSA-N -1 0 318.317 -0.181 20 0 DBADRM CCON(C)C(=O)CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC000824008469 805246405 /nfs/dbraw/zinc/24/64/05/805246405.db2.gz BOIFXXWDTQQGAU-UHFFFAOYSA-N -1 0 312.370 -0.099 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000824288286 805254784 /nfs/dbraw/zinc/25/47/84/805254784.db2.gz BYLRDLHKIQRHEI-UHFFFAOYSA-N -1 0 313.343 -0.490 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H]1CN(C(C)=O)CCO1 ZINC000824628354 805261529 /nfs/dbraw/zinc/26/15/29/805261529.db2.gz DAGVNWHXRCSIFI-SNVBAGLBSA-N -1 0 302.327 -0.377 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCOc1ccc2c(c1)OCO2 ZINC001290961983 805261531 /nfs/dbraw/zinc/26/15/31/805261531.db2.gz VDRGFIKVHOBPLD-UHFFFAOYSA-N -1 0 322.277 -0.387 20 0 DBADRM CC1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)COC1 ZINC000824784678 805264906 /nfs/dbraw/zinc/26/49/06/805264906.db2.gz YTZWSVLUFLNLCD-UHFFFAOYSA-N -1 0 323.334 -0.292 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC001292415755 805271251 /nfs/dbraw/zinc/27/12/51/805271251.db2.gz JOTHZOCLZDOKAN-SECBINFHSA-N -1 0 315.289 -0.958 20 0 DBADRM CC(C)(F)C(=O)NCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001292439102 805272344 /nfs/dbraw/zinc/27/23/44/805272344.db2.gz HVGKZFCRFBZZSB-UHFFFAOYSA-N -1 0 317.321 -0.550 20 0 DBADRM CCC[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1nnn[n-]1 ZINC000825242591 805274447 /nfs/dbraw/zinc/27/44/47/805274447.db2.gz VUFACRFKHORZDW-SSDOTTSWSA-N -1 0 302.302 -0.021 20 0 DBADRM CCNC(=O)C1CN(C(=O)Cc2noc(C)c2-c2nn[nH]n2)C1 ZINC000825466246 805280852 /nfs/dbraw/zinc/28/08/52/805280852.db2.gz XRWSVGDKAPZHHS-UHFFFAOYSA-N -1 0 319.325 -0.700 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@H](O)C[C@]2(C)CO)cc1=O ZINC000825586597 805282834 /nfs/dbraw/zinc/28/28/34/805282834.db2.gz JOWMGURJQNLWFB-IUODEOHRSA-N -1 0 311.382 -0.281 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@H](O)C[C@@]2(C)CO)cc1=O ZINC000825586595 805283536 /nfs/dbraw/zinc/28/35/36/805283536.db2.gz JOWMGURJQNLWFB-DOMZBBRYSA-N -1 0 311.382 -0.281 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1)C(=O)[O-] ZINC000825680073 805284621 /nfs/dbraw/zinc/28/46/21/805284621.db2.gz PGQFMGVMXCUPNR-SSDOTTSWSA-N -1 0 312.311 -0.597 20 0 DBADRM CO[C@@H]1CCC[C@@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000826146170 805303221 /nfs/dbraw/zinc/30/32/21/805303221.db2.gz RGNNEYQSAQPVGV-RKDXNWHRSA-N -1 0 306.330 -0.611 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@H]2CC(=O)N[C@H](C)C2)c1[O-] ZINC001292643464 805312058 /nfs/dbraw/zinc/31/20/58/805312058.db2.gz ITVBOIAXMHJYLN-VXNVDRBHSA-N -1 0 323.353 -0.816 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000827046321 805325812 /nfs/dbraw/zinc/32/58/12/805325812.db2.gz SBTQUQQHNIQJSD-SECBINFHSA-N -1 0 309.388 -0.228 20 0 DBADRM C[S@@](=O)CCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000827105736 805327977 /nfs/dbraw/zinc/32/79/77/805327977.db2.gz HBLCHGKLQDRKML-LJQANCHMSA-N -1 0 320.392 -0.462 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001292761254 805334652 /nfs/dbraw/zinc/33/46/52/805334652.db2.gz YEGYCWBKDLDDQE-VHSXEESVSA-N -1 0 317.349 -0.085 20 0 DBADRM O=C(NCCNC(=O)[C@H]1CC12CC2)c1c[n-]n2c1nccc2=O ZINC001292761297 805335110 /nfs/dbraw/zinc/33/51/10/805335110.db2.gz ZODGGANXILVYNV-SNVBAGLBSA-N -1 0 315.333 -0.331 20 0 DBADRM C[C@@]1(C(=O)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)C=CCC1 ZINC001293014178 805373050 /nfs/dbraw/zinc/37/30/50/805373050.db2.gz WHVVZIRGDPVFMO-CYBMUJFWSA-N -1 0 307.310 -0.515 20 0 DBADRM C[C@]1(C(=O)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)C=CCC1 ZINC001293014179 805373327 /nfs/dbraw/zinc/37/33/27/805373327.db2.gz WHVVZIRGDPVFMO-ZDUSSCGKSA-N -1 0 307.310 -0.515 20 0 DBADRM O=C(C[C@H]1CC=CCC1)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001293027361 805374382 /nfs/dbraw/zinc/37/43/82/805374382.db2.gz FCZFGWQVQNJHFK-JTQLQIEISA-N -1 0 323.353 -0.332 20 0 DBADRM CC[C@@H](C)CCC(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001293027661 805374912 /nfs/dbraw/zinc/37/49/12/805374912.db2.gz JQAMJPQVOLKFQL-SECBINFHSA-N -1 0 313.358 -0.252 20 0 DBADRM CC[C@](C)(CC(=O)[O-])NC(=O)CN1CCS(=O)(=O)CC1 ZINC000828628380 805379000 /nfs/dbraw/zinc/37/90/00/805379000.db2.gz MDKBLNPQVGXQLF-GFCCVEGCSA-N -1 0 306.384 -0.524 20 0 DBADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000828645840 805380334 /nfs/dbraw/zinc/38/03/34/805380334.db2.gz XUOZLQLYAWAHFB-CYBMUJFWSA-N -1 0 311.342 -0.261 20 0 DBADRM COCCO[N-]C(=O)CNS(=O)(=O)c1ccccc1N ZINC000829682887 805399357 /nfs/dbraw/zinc/39/93/57/805399357.db2.gz NPQRBJIDECARNW-UHFFFAOYSA-N -1 0 303.340 -0.759 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001293311188 805411735 /nfs/dbraw/zinc/41/17/35/805411735.db2.gz AHRUMCZKHVTQLZ-BDAKNGLRSA-N -1 0 323.353 -0.045 20 0 DBADRM O=C([O-])[C@]12CN(S(=O)(=O)C[C@@H]3CCCO3)C[C@H]1COCC2 ZINC000830058136 805418096 /nfs/dbraw/zinc/41/80/96/805418096.db2.gz JHHZOARSSBKHON-GMXVVIOVSA-N -1 0 319.379 -0.082 20 0 DBADRM CN(C1CC1)S(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000830058712 805418186 /nfs/dbraw/zinc/41/81/86/805418186.db2.gz YOQVICWUNCMZAD-JOYOIKCWSA-N -1 0 304.368 -0.252 20 0 DBADRM O=C([O-])[C@]12CN(S(=O)(=O)[C@@H]3CCOC3)C[C@H]1COCC2 ZINC000830057596 805418239 /nfs/dbraw/zinc/41/82/39/805418239.db2.gz BUDMLFWLWPCUMW-HOSYDEDBSA-N -1 0 305.352 -0.472 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC000830099038 805419854 /nfs/dbraw/zinc/41/98/54/805419854.db2.gz XKGMGJSPHCXMQS-NSHDSACASA-N -1 0 319.339 -0.133 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000830325544 805430438 /nfs/dbraw/zinc/43/04/38/805430438.db2.gz RVDJZEBXBYURMM-STQMWFEESA-N -1 0 324.381 -0.058 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](CCO)C2CC2)c1 ZINC000830373395 805431689 /nfs/dbraw/zinc/43/16/89/805431689.db2.gz XFMDNOODHLRGPL-NSHDSACASA-N -1 0 314.363 -0.070 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)Cn2cncn2)C1 ZINC000830833966 805441035 /nfs/dbraw/zinc/44/10/35/805441035.db2.gz VBSLPCGHHHPPQK-SNVBAGLBSA-N -1 0 305.260 -0.052 20 0 DBADRM CNC(=O)c1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000831011710 805444431 /nfs/dbraw/zinc/44/44/31/805444431.db2.gz SLXRZRSQQYEKPZ-UHFFFAOYSA-N -1 0 317.305 -0.348 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000831016572 805444597 /nfs/dbraw/zinc/44/45/97/805444597.db2.gz QFKFQAHAAQDIKG-ZJUUUORDSA-N -1 0 321.399 -0.322 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)NC[C@H]2CC(C(N)=O)=NO2)CC1 ZINC000831038491 805444976 /nfs/dbraw/zinc/44/49/76/805444976.db2.gz HPNVEDLRIFTOCP-MRVPVSSYSA-N -1 0 312.326 -0.487 20 0 DBADRM COCCCOC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001293848001 805448013 /nfs/dbraw/zinc/44/80/13/805448013.db2.gz YRLKWSXRXIKSHU-UHFFFAOYSA-N -1 0 312.326 -0.060 20 0 DBADRM NC(=O)Cn1cc(C(=O)OC[C@H]2CCCN(C(=O)[O-])C2)nn1 ZINC000831199813 805448630 /nfs/dbraw/zinc/44/86/30/805448630.db2.gz JZXVGRHGPSVQSS-QMMMGPOBSA-N -1 0 311.298 -0.690 20 0 DBADRM O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])NC[C@H]1CCCO1 ZINC000831504689 805455079 /nfs/dbraw/zinc/45/50/79/805455079.db2.gz YOQBHYOUQXOSQI-ZJUUUORDSA-N -1 0 316.310 -0.796 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCCNC(=O)Cc2cc[nH]n2)c1[O-] ZINC001294005016 805458872 /nfs/dbraw/zinc/45/88/72/805458872.db2.gz MLCDYFCIBUIPRZ-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM NC(=O)CO[N-]C(=O)CN1CC[C@H](c2ccccc2)NC1=O ZINC000831651988 805461080 /nfs/dbraw/zinc/46/10/80/805461080.db2.gz SGNBYEQFOZXGGU-LLVKDONJSA-N -1 0 306.322 -0.324 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)N3CC(N4CC[C@@H](O)C4)C3)ccnc1-2 ZINC000831748472 805463801 /nfs/dbraw/zinc/46/38/01/805463801.db2.gz DAEMOPHACDJLRS-LLVKDONJSA-N -1 0 316.365 -0.376 20 0 DBADRM COC(=O)CCN(CC(OC)OC)C(=O)c1cc(=O)[nH][n-]1 ZINC000831925495 805467834 /nfs/dbraw/zinc/46/78/34/805467834.db2.gz YEDRDDGYAFZXJF-UHFFFAOYSA-N -1 0 301.299 -0.261 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCCNC(=O)Cc2ncc[nH]2)c1[O-] ZINC001294268368 805478144 /nfs/dbraw/zinc/47/81/44/805478144.db2.gz VJRJAQRERWBNHV-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM O=C([O-])NCCCOC1CCN(C(=O)Cn2cnnn2)CC1 ZINC000832625834 805485209 /nfs/dbraw/zinc/48/52/09/805485209.db2.gz WMSCSYNBFROQKB-UHFFFAOYSA-N -1 0 312.330 -0.662 20 0 DBADRM CCCCC(=O)N1CSC[C@@H]1C(=O)NCC(=O)[N-]OC ZINC000832766816 805490611 /nfs/dbraw/zinc/49/06/11/805490611.db2.gz OLAIJSXDFWDTHJ-SECBINFHSA-N -1 0 303.384 -0.128 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000832745996 805490644 /nfs/dbraw/zinc/49/06/44/805490644.db2.gz UZTCRWMNZCNKRH-GFCCVEGCSA-N -1 0 305.334 -0.058 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000832770298 805491300 /nfs/dbraw/zinc/49/13/00/805491300.db2.gz WRZGWZOVKJZIQO-NSHDSACASA-N -1 0 309.297 -0.028 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000832769218 805491337 /nfs/dbraw/zinc/49/13/37/805491337.db2.gz AGTSYDWZGVNQFP-LOWVWBTDSA-N -1 0 301.387 -0.086 20 0 DBADRM CO[N-]C(=O)CNC(=O)CNC(=O)N1CCc2ccccc2C1 ZINC000832767229 805491525 /nfs/dbraw/zinc/49/15/25/805491525.db2.gz ZKAVCSFZFUQWPV-UHFFFAOYSA-N -1 0 320.349 -0.452 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000832773665 805491637 /nfs/dbraw/zinc/49/16/37/805491637.db2.gz YDYHEKSXOWJJEG-JTQLQIEISA-N -1 0 321.333 -0.158 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000832773428 805491667 /nfs/dbraw/zinc/49/16/67/805491667.db2.gz NXNVBYBKSLKPBE-LLVKDONJSA-N -1 0 312.370 -0.292 20 0 DBADRM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCC(=O)[N-]OC ZINC000832769390 805492005 /nfs/dbraw/zinc/49/20/05/805492005.db2.gz GFHSUBDIKDYAHV-DTWKUNHWSA-N -1 0 303.384 -0.272 20 0 DBADRM O=C([O-])N1CC(CNC(=O)N[C@H](CO)C2CCOCC2)C1 ZINC000834034469 805496153 /nfs/dbraw/zinc/49/61/53/805496153.db2.gz UQXTUHFQSLIDOH-LLVKDONJSA-N -1 0 301.343 -0.317 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N(CCCCO)C2CC2)C(=O)C1 ZINC000834113248 805496502 /nfs/dbraw/zinc/49/65/02/805496502.db2.gz OHTNUNGHZCBNDW-UHFFFAOYSA-N -1 0 313.354 -0.428 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCC3(CNC(=O)C3)CC2)C1 ZINC000834157665 805496533 /nfs/dbraw/zinc/49/65/33/805496533.db2.gz KOPSALWLEAPGMZ-SNVBAGLBSA-N -1 0 310.354 -0.586 20 0 DBADRM COc1cc(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)ccn1 ZINC000834324946 805497358 /nfs/dbraw/zinc/49/73/58/805497358.db2.gz OJQQNWHBROFZSZ-UHFFFAOYSA-N -1 0 315.351 -0.785 20 0 DBADRM CCc1ccc(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)nc1 ZINC000834324746 805497455 /nfs/dbraw/zinc/49/74/55/805497455.db2.gz HSDNYIGDKUGYPI-UHFFFAOYSA-N -1 0 313.379 -0.231 20 0 DBADRM CON1CCC(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)CC1 ZINC000834325105 805497690 /nfs/dbraw/zinc/49/76/90/805497690.db2.gz VUKUGXUFMVYPKH-UHFFFAOYSA-N -1 0 321.399 -0.768 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)CC(=O)N(C)C)C2)c1[O-] ZINC001294727676 805504597 /nfs/dbraw/zinc/50/45/97/805504597.db2.gz RSGTVLXNKFPISH-SECBINFHSA-N -1 0 323.353 -0.767 20 0 DBADRM CC(C)(O)CO[N-]C(=O)CNS(=O)(=O)c1cccnc1 ZINC000834628421 805514014 /nfs/dbraw/zinc/51/40/14/805514014.db2.gz KLQDXXVFSGJVOX-UHFFFAOYSA-N -1 0 303.340 -0.821 20 0 DBADRM COC[C@@]1(C(=O)[N-]S(=O)(=O)N2CCCCC2)CCOC1 ZINC000835096443 805519357 /nfs/dbraw/zinc/51/93/57/805519357.db2.gz BRHBVYUCBBKKKY-LBPRGKRZSA-N -1 0 306.384 -0.114 20 0 DBADRM C[C@H](Oc1ccccn1)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000835185476 805519474 /nfs/dbraw/zinc/51/94/74/805519474.db2.gz SWWUTWNAQWSKCY-JTQLQIEISA-N -1 0 315.351 -0.458 20 0 DBADRM CO[C@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000835099547 805519567 /nfs/dbraw/zinc/51/95/67/805519567.db2.gz YYEUEHVESAIMJJ-MNOVXSKESA-N -1 0 306.384 -0.115 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccn1 ZINC000835297286 805520880 /nfs/dbraw/zinc/52/08/80/805520880.db2.gz YVCGCWNWDMCEHP-RKDXNWHRSA-N -1 0 316.335 -0.144 20 0 DBADRM CCC[C@@H](OC)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000835463425 805520899 /nfs/dbraw/zinc/52/08/99/805520899.db2.gz HKQKBMZHKSQLQA-LLVKDONJSA-N -1 0 321.399 -0.673 20 0 DBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)CCC2CCCC2)c1=O ZINC000835947123 805521754 /nfs/dbraw/zinc/52/17/54/805521754.db2.gz CFBUZFLBXLBXTF-UHFFFAOYSA-N -1 0 316.383 -0.392 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000835738421 805521914 /nfs/dbraw/zinc/52/19/14/805521914.db2.gz DAQDCTIRYTXHOC-KXUCPTDWSA-N -1 0 303.384 -0.060 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)S(C)(=O)=O ZINC000835747760 805522100 /nfs/dbraw/zinc/52/21/00/805522100.db2.gz WGMBMICXGWMODA-KXUCPTDWSA-N -1 0 324.424 -0.488 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(F)(F)C(=O)N1CCOCC1 ZINC000836208017 805525650 /nfs/dbraw/zinc/52/56/50/805525650.db2.gz YSCOQDULSBFBFP-SECBINFHSA-N -1 0 308.281 -0.435 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)[N-]O[C@H](CO)C(C)C ZINC000836898278 805530030 /nfs/dbraw/zinc/53/00/30/805530030.db2.gz JKPXAOUQGPNPMC-DOMZBBRYSA-N -1 0 312.366 -0.028 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000836902984 805530085 /nfs/dbraw/zinc/53/00/85/805530085.db2.gz YFFYERAYOVTHKK-HZMBPMFUSA-N -1 0 313.354 -0.228 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)[N-]O[C@@H](CO)C(C)C ZINC000836898283 805530111 /nfs/dbraw/zinc/53/01/11/805530111.db2.gz JKPXAOUQGPNPMC-SWLSCSKDSA-N -1 0 312.366 -0.028 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000836897156 805530162 /nfs/dbraw/zinc/53/01/62/805530162.db2.gz DLSDGJAQPOYAEI-NEPJUHHUSA-N -1 0 312.370 -0.033 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000836908737 805531123 /nfs/dbraw/zinc/53/11/23/805531123.db2.gz WKRFLQHSKYWRAK-JTQLQIEISA-N -1 0 313.354 -0.084 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2cccc(Cl)c2[O-])CC1=O ZINC000837971257 805538856 /nfs/dbraw/zinc/53/88/56/805538856.db2.gz LHWKHVXPHBQAIV-UHFFFAOYSA-N -1 0 311.725 -0.185 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CNC(=O)CCC(C)C ZINC000838800725 805546006 /nfs/dbraw/zinc/54/60/06/805546006.db2.gz LFFDKVCGZDHBQZ-UHFFFAOYSA-N -1 0 308.356 -0.842 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(OC)c(OC)c1 ZINC000838802503 805546176 /nfs/dbraw/zinc/54/61/76/805546176.db2.gz IMACLRSAYGGVGC-UHFFFAOYSA-N -1 0 317.319 -0.064 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]1CCCO1 ZINC000838849586 805546570 /nfs/dbraw/zinc/54/65/70/805546570.db2.gz AVBHVCOSAJSDKL-UWVGGRQHSA-N -1 0 323.367 -0.420 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)Cc1ccc(OC)cc1 ZINC000838804785 805546846 /nfs/dbraw/zinc/54/68/46/805546846.db2.gz ZVSGUYOTELMKCB-UHFFFAOYSA-N -1 0 301.320 -0.143 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)[nH]1 ZINC000838846468 805547031 /nfs/dbraw/zinc/54/70/31/805547031.db2.gz UTQMQEMSKYAELA-UHFFFAOYSA-N -1 0 318.307 -0.576 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)COc1cccc(OC)c1 ZINC000838806880 805547232 /nfs/dbraw/zinc/54/72/32/805547232.db2.gz MEYWXXNRGDOFRP-UHFFFAOYSA-N -1 0 317.319 -0.307 20 0 DBADRM COc1ccc(CC(=O)[N-]S(=O)(=O)N2CCOCC2)nc1 ZINC000838812820 805547285 /nfs/dbraw/zinc/54/72/85/805547285.db2.gz PSTYSZFBCZZLRT-UHFFFAOYSA-N -1 0 315.351 -0.674 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)C2CCC2)CC1 ZINC000838972131 805548496 /nfs/dbraw/zinc/54/84/96/805548496.db2.gz PSXVYAXZEVUUCM-SNVBAGLBSA-N -1 0 317.411 -0.052 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)C(=O)NCC2CC2)c1[O-] ZINC001295463510 805558975 /nfs/dbraw/zinc/55/89/75/805558975.db2.gz ZTXNLAJZKFNJIT-ZETCQYMHSA-N -1 0 323.353 -0.816 20 0 DBADRM O=c1nc(CNS(=O)(=O)c2ccc3oc(=O)ccc3c2)[n-]o1 ZINC001324570650 806986846 /nfs/dbraw/zinc/98/68/46/806986846.db2.gz DEWZEOLCOJKSAB-UHFFFAOYSA-N -1 0 323.286 -0.052 20 0 DBADRM CCOC(=O)COCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000840892636 805571023 /nfs/dbraw/zinc/57/10/23/805571023.db2.gz WMTYPRGHXGDUPZ-UHFFFAOYSA-N -1 0 320.323 -0.429 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccnc3n[nH]nc32)C1=O ZINC001324754479 807004657 /nfs/dbraw/zinc/00/46/57/807004657.db2.gz LBXROUUMGPVPHJ-GFCCVEGCSA-N -1 0 303.282 -0.282 20 0 DBADRM O=C([N-]OCCC(F)(F)F)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC001324793293 807006093 /nfs/dbraw/zinc/00/60/93/807006093.db2.gz CZDJPMIIYLPYJU-ZETCQYMHSA-N -1 0 323.271 -0.134 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cnn2ccncc12 ZINC001324822442 807008267 /nfs/dbraw/zinc/00/82/67/807008267.db2.gz JFQSOJLPTNFNRF-UHFFFAOYSA-N -1 0 320.334 -0.110 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC001324950858 807018070 /nfs/dbraw/zinc/01/80/70/807018070.db2.gz BNKNJXIZADMVJJ-JTQLQIEISA-N -1 0 316.321 -0.042 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@H](CF)C1)C2 ZINC000883636224 807018805 /nfs/dbraw/zinc/01/88/05/807018805.db2.gz MSDQYUGWOIZXOZ-GPCCPHFNSA-N -1 0 314.313 -0.636 20 0 DBADRM CCOC(=O)CC[C@H](C)NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001325141580 807040367 /nfs/dbraw/zinc/04/03/67/807040367.db2.gz LDJHAQTYEDUPFC-QWRGUYRKSA-N -1 0 316.354 -0.081 20 0 DBADRM CC(C)[C@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])CCN1C ZINC000884477622 807050816 /nfs/dbraw/zinc/05/08/16/807050816.db2.gz CKORFYGOIMQQMV-LLVKDONJSA-N -1 0 315.370 -0.998 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)[N-]OC2CCCCC2)O1 ZINC001325547029 807080162 /nfs/dbraw/zinc/08/01/62/807080162.db2.gz MYRWOZAOSGSFTO-GHMZBOCLSA-N -1 0 313.354 -0.484 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC001325655013 807089242 /nfs/dbraw/zinc/08/92/42/807089242.db2.gz QEPDRRWLOPYQCC-KORWRZNCSA-N -1 0 312.244 -0.605 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC001325699912 807092431 /nfs/dbraw/zinc/09/24/31/807092431.db2.gz BSZZTTFPWNKGNU-SECBINFHSA-N -1 0 324.424 -0.519 20 0 DBADRM C[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])c1ncn(C)n1 ZINC001325861925 807111730 /nfs/dbraw/zinc/11/17/30/807111730.db2.gz FDSJVFYDOUNDRN-QMMMGPOBSA-N -1 0 311.342 -0.391 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNCc2nccn2C)c1[O-] ZINC001326009003 807132302 /nfs/dbraw/zinc/13/23/02/807132302.db2.gz HUQYQWJMGXHURA-UHFFFAOYSA-N -1 0 322.369 -0.618 20 0 DBADRM CCCO[N-]C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC001326087176 807144161 /nfs/dbraw/zinc/14/41/61/807144161.db2.gz IHXRTMWZQFWECF-UHFFFAOYSA-N -1 0 321.337 -0.586 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N(CC(F)F)C2CCC2)CCO1 ZINC000887057771 807146935 /nfs/dbraw/zinc/14/69/35/807146935.db2.gz WWXZGAOLSQUBFY-SECBINFHSA-N -1 0 320.292 -0.055 20 0 DBADRM COCC(C)(C)N1CCN(C(=O)C(=O)NCCC(=O)[O-])CC1 ZINC001326142737 807152453 /nfs/dbraw/zinc/15/24/53/807152453.db2.gz OOPZVPHNHSSXOI-UHFFFAOYSA-N -1 0 315.370 -0.854 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])CCO1 ZINC000887306357 807155304 /nfs/dbraw/zinc/15/53/04/807155304.db2.gz QFQPRGOKMXQRPD-ITGHMWBKSA-N -1 0 322.361 -0.127 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC(O)(C(F)F)CC1 ZINC001326241999 807163230 /nfs/dbraw/zinc/16/32/30/807163230.db2.gz SQLYMMAFGMTKTP-UHFFFAOYSA-N -1 0 308.281 -0.414 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc2c1CNC2=O ZINC001326483968 807185978 /nfs/dbraw/zinc/18/59/78/807185978.db2.gz LFWRRNYGTHSMLL-UHFFFAOYSA-N -1 0 320.305 -0.948 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC001326547712 807192418 /nfs/dbraw/zinc/19/24/18/807192418.db2.gz QPURKXQXQPBKRM-VWYCJHECSA-N -1 0 320.349 -0.316 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cc(C(C)C)no1 ZINC001326644039 807201146 /nfs/dbraw/zinc/20/11/46/807201146.db2.gz CQSNZHGDWWRDJV-UHFFFAOYSA-N -1 0 312.326 -0.402 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001326650933 807202157 /nfs/dbraw/zinc/20/21/57/807202157.db2.gz IKFDYAAPLFOMLP-LURJTMIESA-N -1 0 320.289 -0.464 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(F)cc1 ZINC001326656471 807203466 /nfs/dbraw/zinc/20/34/66/807203466.db2.gz YLRQEXUUBSRHDZ-UHFFFAOYSA-N -1 0 311.313 -0.332 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)C[C@@H]1CCOC1 ZINC001326984254 807228690 /nfs/dbraw/zinc/22/86/90/807228690.db2.gz QLZAJWGGYLWHLX-ZJUUUORDSA-N -1 0 301.343 -0.898 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cnn1C ZINC001326991500 807230260 /nfs/dbraw/zinc/23/02/60/807230260.db2.gz QAUMRDICQZRYEZ-SNVBAGLBSA-N -1 0 320.309 -0.657 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCS[C@@H](C(C)C)C1 ZINC001327039231 807236260 /nfs/dbraw/zinc/23/62/60/807236260.db2.gz VBHSUZUSXDSKQY-SNVBAGLBSA-N -1 0 317.411 -0.230 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H](COC)[C@@H]1CCCOC1 ZINC000898753013 807236329 /nfs/dbraw/zinc/23/63/29/807236329.db2.gz XBWJHRAAMHLJHQ-VXGBXAGGSA-N -1 0 318.370 -0.372 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)CCC1CCOCC1 ZINC001327039578 807236418 /nfs/dbraw/zinc/23/64/18/807236418.db2.gz WGFCSGIMWNAQTL-UHFFFAOYSA-N -1 0 315.370 -0.555 20 0 DBADRM COC[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)[C@H]1CCCOC1 ZINC000898868840 807240461 /nfs/dbraw/zinc/24/04/61/807240461.db2.gz FQBRCPINBZAHMZ-SRVKXCTJSA-N -1 0 316.354 -0.077 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC1CCS(=O)(=O)CC1 ZINC001327284182 807254561 /nfs/dbraw/zinc/25/45/61/807254561.db2.gz UBZIJZCURAHFRR-UHFFFAOYSA-N -1 0 307.372 -0.822 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(C)[C@@H]1COC[C@H]1O ZINC000899362732 807258397 /nfs/dbraw/zinc/25/83/97/807258397.db2.gz OFNJIGCKWHSBOU-HLTSFMKQSA-N -1 0 312.288 -0.092 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCCOCC2)C[C@H]1C(=O)[O-] ZINC000899557144 807263448 /nfs/dbraw/zinc/26/34/48/807263448.db2.gz MSXWYXOQVNNXER-GHMZBOCLSA-N -1 0 306.384 -0.004 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCCOCC2)C1 ZINC000899565677 807263696 /nfs/dbraw/zinc/26/36/96/807263696.db2.gz IVHCXJKIQRBLJW-GFCCVEGCSA-N -1 0 322.383 -0.623 20 0 DBADRM CCN([C@@H](C)C(=O)[O-])S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000899565613 807263758 /nfs/dbraw/zinc/26/37/58/807263758.db2.gz HDWIOQFSDZELGY-WCBMZHEXSA-N -1 0 304.368 -0.126 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CCO1 ZINC000899938491 807278051 /nfs/dbraw/zinc/27/80/51/807278051.db2.gz MWUXSYDMOMCQTH-MYJAWHEDSA-N -1 0 304.368 -0.396 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCC1(CCO)CC1 ZINC001327443988 807283986 /nfs/dbraw/zinc/28/39/86/807283986.db2.gz DOTJKYXDBSNKGT-UHFFFAOYSA-N -1 0 307.306 -0.003 20 0 DBADRM COCCCOCCC(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC001327456641 807285661 /nfs/dbraw/zinc/28/56/61/807285661.db2.gz AVCQJUNQNSNRST-UHFFFAOYSA-N -1 0 321.355 -0.187 20 0 DBADRM C[C@](CNC(=O)CN1C(=O)CNC1=O)(C(=O)[O-])c1ccccc1 ZINC001327477917 807288443 /nfs/dbraw/zinc/28/84/43/807288443.db2.gz OEXHTRGHDCFSNM-OAHLLOKOSA-N -1 0 319.317 -0.303 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NC[C@H](O)C2CC2)n1 ZINC001327480825 807289354 /nfs/dbraw/zinc/28/93/54/807289354.db2.gz UBRBUMBZZLULDG-VIFPVBQESA-N -1 0 324.337 -0.472 20 0 DBADRM C[C@@]1(NC(=O)C(=O)Nc2cccnc2C(=O)[O-])CCOC1=O ZINC001327480739 807289408 /nfs/dbraw/zinc/28/94/08/807289408.db2.gz SLQPSPMEWBKPKQ-CYBMUJFWSA-N -1 0 307.262 -0.460 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)[N-]OCC2CCC2)n1 ZINC001327479554 807289803 /nfs/dbraw/zinc/28/98/03/807289803.db2.gz LHJKLJYDLNOMFA-UHFFFAOYSA-N -1 0 323.353 -0.242 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CCC[C@@H]1OC ZINC001327507706 807295236 /nfs/dbraw/zinc/29/52/36/807295236.db2.gz OGHPZTCFTGCFJW-UWVGGRQHSA-N -1 0 301.343 -0.898 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001327528115 807298965 /nfs/dbraw/zinc/29/89/65/807298965.db2.gz ZGZHWEKYAUVNIS-NWDGAFQWSA-N -1 0 323.324 -0.018 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC001327526570 807299090 /nfs/dbraw/zinc/29/90/90/807299090.db2.gz PJAQCHCWZMAAHH-MNOVXSKESA-N -1 0 313.354 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(C)cn1 ZINC001327548713 807301582 /nfs/dbraw/zinc/30/15/82/807301582.db2.gz UHGULUNBXUQULS-UHFFFAOYSA-N -1 0 308.338 -0.767 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC1CCC(COC)CC1 ZINC001327558596 807303069 /nfs/dbraw/zinc/30/30/69/807303069.db2.gz VYIBGSDGFSBBPC-UHFFFAOYSA-N -1 0 315.370 -0.508 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC(C2CCOCC2)C1 ZINC001327572398 807305632 /nfs/dbraw/zinc/30/56/32/807305632.db2.gz WYGBDINZIKEBKT-UHFFFAOYSA-N -1 0 313.354 -0.945 20 0 DBADRM COCC[C@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-] ZINC001327595441 807309891 /nfs/dbraw/zinc/30/98/91/807309891.db2.gz JHAIHBCKUZYIPA-LURJTMIESA-N -1 0 300.233 -0.339 20 0 DBADRM C/C(=C\C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)CN1CCOCC1 ZINC000900626490 807314493 /nfs/dbraw/zinc/31/44/93/807314493.db2.gz RZLOOOBICVUNJV-JATZPVMKSA-N -1 0 322.369 -0.622 20 0 DBADRM C/C(=C/C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)CN1CCOCC1 ZINC000900626494 807315432 /nfs/dbraw/zinc/31/54/32/807315432.db2.gz RZLOOOBICVUNJV-NXIHDVOMSA-N -1 0 322.369 -0.622 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCN(c2ncc[nH]2)CC1 ZINC001327634712 807316252 /nfs/dbraw/zinc/31/62/52/807316252.db2.gz KVXHEBAEOAVRAO-UHFFFAOYSA-N -1 0 313.321 -0.292 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC001327679932 807322680 /nfs/dbraw/zinc/32/26/80/807322680.db2.gz KDLDMNQGMQCWIR-SECBINFHSA-N -1 0 321.333 -0.250 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCc1nnc2n1CCCC2 ZINC001327748149 807331738 /nfs/dbraw/zinc/33/17/38/807331738.db2.gz MLOCZAPWGUDXRG-UHFFFAOYSA-N -1 0 313.383 -0.359 20 0 DBADRM C[C@H](O)[C@H]1CCN(c2cc(N3CCOC[C@H]3C(=O)[O-])ncn2)C1 ZINC000900942728 807335284 /nfs/dbraw/zinc/33/52/84/807335284.db2.gz CEMDXGIEPNHFDI-SRVKXCTJSA-N -1 0 322.365 -0.027 20 0 DBADRM O=C(CN1CCNCC1=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000901007225 807339847 /nfs/dbraw/zinc/33/98/47/807339847.db2.gz LHFRWQTZUZXATJ-UHFFFAOYSA-N -1 0 311.363 -0.936 20 0 DBADRM O=C(CN1CCNCC1=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000901018416 807340350 /nfs/dbraw/zinc/34/03/50/807340350.db2.gz JEBNQAZWUPJQNA-UHFFFAOYSA-N -1 0 303.384 -0.803 20 0 DBADRM NC1(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)Cc2ccccc2C1 ZINC000901032853 807342251 /nfs/dbraw/zinc/34/22/51/807342251.db2.gz DQNXUHQGFOMCQY-LBPRGKRZSA-N -1 0 310.375 -0.282 20 0 DBADRM Cn1nc(I)cc1C(=O)NCC(=O)[O-] ZINC000901431848 807363998 /nfs/dbraw/zinc/36/39/98/807363998.db2.gz QVEZJYGPLWFTKF-UHFFFAOYSA-N -1 0 309.063 -0.161 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@]2(C3CCCC3)CCNC2=O)CCO1 ZINC000901451705 807364384 /nfs/dbraw/zinc/36/43/84/807364384.db2.gz KPUVRAHFVBNYCT-ABAIWWIYSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC000901572689 807364850 /nfs/dbraw/zinc/36/48/50/807364850.db2.gz RELRENXMALGMQU-VXGBXAGGSA-N -1 0 304.302 -0.174 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CNC(=O)c3ccccc32)CCO1 ZINC000901449359 807364905 /nfs/dbraw/zinc/36/49/05/807364905.db2.gz PUDVAVWSJQIDRB-NWDGAFQWSA-N -1 0 304.302 -0.174 20 0 DBADRM COC[C@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)C[C@@H](C)O1 ZINC000901619250 807365398 /nfs/dbraw/zinc/36/53/98/807365398.db2.gz SHTNQPVLEVMWAN-GHMZBOCLSA-N -1 0 324.333 -0.191 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC000901648128 807365652 /nfs/dbraw/zinc/36/56/52/807365652.db2.gz QVFNUSNWVFLMMA-UWVGGRQHSA-N -1 0 308.338 -0.048 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC000901661432 807366486 /nfs/dbraw/zinc/36/64/86/807366486.db2.gz LFMAEZAUWZOOKM-WDEREUQCSA-N -1 0 318.395 -0.019 20 0 DBADRM CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](OC)C(=O)[O-] ZINC000901991645 807366774 /nfs/dbraw/zinc/36/67/74/807366774.db2.gz WSOZAAKIJDDEEN-NWDGAFQWSA-N -1 0 306.318 -0.215 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000901901172 807367219 /nfs/dbraw/zinc/36/72/19/807367219.db2.gz PRBVUXJIAYXVOB-OSQNNJELSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)Cn1ncc3cccnc31)C2 ZINC000902059967 807367777 /nfs/dbraw/zinc/36/77/77/807367777.db2.gz GCEFGNVISIQKPA-IAQYHMDHSA-N -1 0 316.317 -0.009 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)CC2 ZINC000902062006 807368127 /nfs/dbraw/zinc/36/81/27/807368127.db2.gz ZHSJADCGMOGHMM-FEUHOPSXSA-N -1 0 320.349 -0.520 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000902112655 807368149 /nfs/dbraw/zinc/36/81/49/807368149.db2.gz YVMDJXWHDXZZJB-AWEZNQCLSA-N -1 0 308.338 -0.153 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)CN1CCCCS1(=O)=O ZINC000902106399 807368169 /nfs/dbraw/zinc/36/81/69/807368169.db2.gz BJUIAEOEUWPERX-LBPRGKRZSA-N -1 0 304.368 -0.122 20 0 DBADRM CCN1CCN(CC(=O)N2CCC[C@]2(C)C(=O)[O-])C(=O)C1=O ZINC000902120359 807369064 /nfs/dbraw/zinc/36/90/64/807369064.db2.gz SBZYOVAFKFFGPQ-CQSZACIVSA-N -1 0 311.338 -0.857 20 0 DBADRM COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)CSCC(=O)[O-] ZINC000902272780 807370664 /nfs/dbraw/zinc/37/06/64/807370664.db2.gz YSCPSNZALQXKPV-QPUJVOFHSA-N -1 0 305.352 -0.017 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](O)C2CCOCC2)C1 ZINC000902310191 807371298 /nfs/dbraw/zinc/37/12/98/807371298.db2.gz JCUVMKMAQBZUDC-FZMZJTMJSA-N -1 0 301.339 -0.276 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C2(C(=O)NC3CC3)CC2)C1 ZINC000902316026 807372119 /nfs/dbraw/zinc/37/21/19/807372119.db2.gz HZTQFFJJYNRHIV-CQSZACIVSA-N -1 0 310.350 -0.005 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000902627905 807378691 /nfs/dbraw/zinc/37/86/91/807378691.db2.gz LRFCKHRSJPHCOT-PRFIWBCESA-N -1 0 301.364 -0.010 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC000902774388 807381490 /nfs/dbraw/zinc/38/14/90/807381490.db2.gz GFKTZOYVVMGXRC-SNVBAGLBSA-N -1 0 311.338 -1.000 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cc2cnn3ccccc23)CC1 ZINC000902774371 807382081 /nfs/dbraw/zinc/38/20/81/807382081.db2.gz FTZXYXGKOIWTKC-UHFFFAOYSA-N -1 0 316.317 -0.368 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)CC2 ZINC000902775319 807382144 /nfs/dbraw/zinc/38/21/44/807382144.db2.gz TWXHQQGDLUKBQS-JTQLQIEISA-N -1 0 320.349 -0.720 20 0 DBADRM Cn1cc(CCN2c3c(cnn3C)C([O-])=CS2(=O)=O)cn1 ZINC000902830498 807382302 /nfs/dbraw/zinc/38/23/02/807382302.db2.gz VHLHIPNMUARRGF-UHFFFAOYSA-N -1 0 309.351 -0.271 20 0 DBADRM Cn1ncc2c1N(CC(=O)N1CCCC1)S(=O)(=O)C=C2[O-] ZINC000902830524 807382796 /nfs/dbraw/zinc/38/27/96/807382796.db2.gz WKYVYVATXUUOSJ-UHFFFAOYSA-N -1 0 312.351 -0.625 20 0 DBADRM COC(=O)C1(CN2c3c(cnn3C)C([O-])=CS2(=O)=O)CC1 ZINC000902834273 807382866 /nfs/dbraw/zinc/38/28/66/807382866.db2.gz OSZPOEGVWQUKRP-UHFFFAOYSA-N -1 0 313.335 -0.294 20 0 DBADRM CO[C@H]1CCCN([N-]C(=O)C(F)(F)C(=O)N2CCOCC2)C1 ZINC000902926626 807383757 /nfs/dbraw/zinc/38/37/57/807383757.db2.gz VUVVXWPZECDTKI-JTQLQIEISA-N -1 0 321.324 -0.378 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001328165692 807387103 /nfs/dbraw/zinc/38/71/03/807387103.db2.gz KXGQGEIJKHXICV-NSHDSACASA-N -1 0 312.370 -0.164 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000903510192 807392736 /nfs/dbraw/zinc/39/27/36/807392736.db2.gz GBSKHOJIBMPZLF-AXFHLTTASA-N -1 0 304.368 -0.182 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000903546234 807395180 /nfs/dbraw/zinc/39/51/80/807395180.db2.gz KMZZRNLDKUAHND-LVEVGFFFSA-N -1 0 316.379 -0.207 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCO[C@@H]3COCC[C@@H]32)CCC1 ZINC000903546222 807395277 /nfs/dbraw/zinc/39/52/77/807395277.db2.gz KATKVSWWUUEHAR-VHSXEESVSA-N -1 0 305.352 -0.187 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)[N-]OCCC1CC1 ZINC001328322840 807410845 /nfs/dbraw/zinc/41/08/45/807410845.db2.gz AZDZRBDAXPXYRW-UHFFFAOYSA-N -1 0 315.351 -0.297 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)s1 ZINC001328351506 807415593 /nfs/dbraw/zinc/41/55/93/807415593.db2.gz QCPJNGAEEKOUCW-UHFFFAOYSA-N -1 0 312.351 -0.166 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)C[C@@H]2CC(=O)N2)ccc1[O-] ZINC001328368786 807418304 /nfs/dbraw/zinc/41/83/04/807418304.db2.gz DKFOVOJZWKHVHD-MRVPVSSYSA-N -1 0 313.335 -0.483 20 0 DBADRM CC[C@H]1COCCN1C(=O)C(=O)N(CCOC)CCC(=O)[O-] ZINC000904937163 807427789 /nfs/dbraw/zinc/42/77/89/807427789.db2.gz VYOCOXYKSYTRMK-NSHDSACASA-N -1 0 316.354 -0.427 20 0 DBADRM CCOCCn1cc(C(=O)[N-]S(=O)(=O)N(C)CC)cn1 ZINC001328504763 807434572 /nfs/dbraw/zinc/43/45/72/807434572.db2.gz BESSCQYVODNJRA-UHFFFAOYSA-N -1 0 304.372 -0.154 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCC1SCCS1 ZINC001328609964 807448614 /nfs/dbraw/zinc/44/86/14/807448614.db2.gz OMAMRPSCKOZIEG-QMMMGPOBSA-N -1 0 306.409 -0.007 20 0 DBADRM Cc1c(C(=O)N(C)Cc2n[n-]c(=O)o2)nnn1-c1ccn(C)n1 ZINC001328638950 807451577 /nfs/dbraw/zinc/45/15/77/807451577.db2.gz JBMCMLFRVPEYCU-UHFFFAOYSA-N -1 0 318.297 -0.330 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)[N-]OCCN1CCCC1=O ZINC001328826116 807473106 /nfs/dbraw/zinc/47/31/06/807473106.db2.gz CQXXSZXYYYNPFL-UHFFFAOYSA-N -1 0 307.354 -0.095 20 0 DBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)CCCC1CC1 ZINC000905985146 807475346 /nfs/dbraw/zinc/47/53/46/807475346.db2.gz DOAPOLMMSUDJNW-LBPRGKRZSA-N -1 0 320.411 -0.119 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCc2c1cccc2O ZINC001328916126 807487228 /nfs/dbraw/zinc/48/72/28/807487228.db2.gz RMTOWVUJQSEYCA-NSHDSACASA-N -1 0 321.333 -0.320 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCC[C@@H]1CCCCO1 ZINC001328942935 807491447 /nfs/dbraw/zinc/49/14/47/807491447.db2.gz JUHJUUYEGMXNON-NSHDSACASA-N -1 0 315.370 -0.364 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC001328945646 807492124 /nfs/dbraw/zinc/49/21/24/807492124.db2.gz ALFGXYCFDUEKLT-YMTOWFKASA-N -1 0 315.370 -0.510 20 0 DBADRM CC(C)(C)c1nnc(NC(=O)C(=O)NCc2nnn[n-]2)s1 ZINC001328955569 807493980 /nfs/dbraw/zinc/49/39/80/807493980.db2.gz MIMKPXUFHASRAF-UHFFFAOYSA-N -1 0 310.343 -0.396 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2ncn(C)n2)CC[C@H]1C(=O)[O-] ZINC001328966326 807496506 /nfs/dbraw/zinc/49/65/06/807496506.db2.gz WUSOVCOWLVKAAJ-RKDXNWHRSA-N -1 0 309.326 -1.000 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2ncn(C)n2)CC[C@H]1C(=O)[O-] ZINC001328966324 807496553 /nfs/dbraw/zinc/49/65/53/807496553.db2.gz WUSOVCOWLVKAAJ-DTWKUNHWSA-N -1 0 309.326 -1.000 20 0 DBADRM CCOC[C@H]1CCCN(C(=O)C(=O)NCC(=O)[N-]OCC)C1 ZINC001328999642 807503486 /nfs/dbraw/zinc/50/34/86/807503486.db2.gz NFJNBZRQKOUSRF-NSHDSACASA-N -1 0 315.370 -0.555 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(C=O)ccc1F ZINC001329033284 807507744 /nfs/dbraw/zinc/50/77/44/807507744.db2.gz MIMUUWJGZZUXTQ-UHFFFAOYSA-N -1 0 316.310 -0.166 20 0 DBADRM CN1CCOC[C@H]1CNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000907062286 807510189 /nfs/dbraw/zinc/51/01/89/807510189.db2.gz IHYLHSGSCWYBHL-LLVKDONJSA-N -1 0 314.363 -0.006 20 0 DBADRM COC[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000907106224 807511753 /nfs/dbraw/zinc/51/17/53/807511753.db2.gz PGPKOJLQAAFHBQ-VIFPVBQESA-N -1 0 318.351 -0.241 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1)C(=O)[O-] ZINC001329113345 807523411 /nfs/dbraw/zinc/52/34/11/807523411.db2.gz JFLJZQVVKLSRHW-UWVGGRQHSA-N -1 0 324.337 -0.305 20 0 DBADRM O=C(/C=C\CN1CCOCC1)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907479790 807531315 /nfs/dbraw/zinc/53/13/15/807531315.db2.gz IHKORRYTCUOVDZ-BVBSBALXSA-N -1 0 324.410 -0.295 20 0 DBADRM CN1CCC[C@@H](C(=O)N2CCSC[C@H]2c2nnn[n-]2)C1=O ZINC000907474930 807531395 /nfs/dbraw/zinc/53/13/95/807531395.db2.gz ICWZNPPPQFXQBS-BDAKNGLRSA-N -1 0 310.383 -0.315 20 0 DBADRM O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907473667 807531633 /nfs/dbraw/zinc/53/16/33/807531633.db2.gz DLLSOQCUCGMYCH-PSASIEDQSA-N -1 0 322.394 -0.173 20 0 DBADRM Cc1cnc2nc(C(=O)N3CCC[C@@H](c4nnn[n-]4)C3)nn2c1 ZINC001329242217 807543266 /nfs/dbraw/zinc/54/32/66/807543266.db2.gz LDLKZIYZFDWNQN-SECBINFHSA-N -1 0 313.325 -0.034 20 0 DBADRM CSCCO[N-]C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC001329279062 807546612 /nfs/dbraw/zinc/54/66/12/807546612.db2.gz SCIYNCGXOVMAIH-UHFFFAOYSA-N -1 0 321.380 -0.734 20 0 DBADRM CO[C@@H]1CCOC[C@H]1[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000907842860 807556601 /nfs/dbraw/zinc/55/66/01/807556601.db2.gz ZOMVDYFVOUQKPU-CXNNERTKSA-N -1 0 315.417 -0.801 20 0 DBADRM COc1ccc(CCNC(=O)C(=O)N(C)CCC(=O)[O-])cn1 ZINC001329432839 807564517 /nfs/dbraw/zinc/56/45/17/807564517.db2.gz GRUOWTWZBHXCIC-UHFFFAOYSA-N -1 0 309.322 -0.318 20 0 DBADRM COC/C=C/C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC ZINC001329562594 807586136 /nfs/dbraw/zinc/58/61/36/807586136.db2.gz XXSJWJIOJJHRAB-AATRIKPKSA-N -1 0 303.340 -0.255 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)c1c[n-]n3c1nccc3=O)CC2 ZINC001329573503 807589250 /nfs/dbraw/zinc/58/92/50/807589250.db2.gz VAUQUAPCQBSNBV-SECBINFHSA-N -1 0 313.321 -0.333 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000908677756 807602136 /nfs/dbraw/zinc/60/21/36/807602136.db2.gz CPLAMXIYLSDLLS-UHFFFAOYSA-N -1 0 321.399 -0.562 20 0 DBADRM CC(C)CN(CCC(=O)[O-])C(=O)CN(C)S(=O)(=O)N(C)C ZINC000908854614 807603366 /nfs/dbraw/zinc/60/33/66/807603366.db2.gz KXQMNUPQUNIOOX-UHFFFAOYSA-N -1 0 323.415 -0.316 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N(CCC(=O)[O-])CC1CC1 ZINC000908875251 807603454 /nfs/dbraw/zinc/60/34/54/807603454.db2.gz DOAMYKSXBYXKIB-UHFFFAOYSA-N -1 0 321.399 -0.562 20 0 DBADRM COCCOCCNC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000908894969 807604286 /nfs/dbraw/zinc/60/42/86/807604286.db2.gz YQHLHWHJJHJUDW-MNOVXSKESA-N -1 0 304.343 -0.077 20 0 DBADRM COCCOCCNC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000908892870 807604309 /nfs/dbraw/zinc/60/43/09/807604309.db2.gz GBKBIQDQJCAJTO-UHFFFAOYSA-N -1 0 304.343 -0.075 20 0 DBADRM CO[C@H]1C[C@H](NC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1 ZINC000909163749 807608653 /nfs/dbraw/zinc/60/86/53/807608653.db2.gz RIAKZWLZULYREM-HAQNSBGRSA-N -1 0 315.370 -0.408 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)NC[C@]1(OC)CCOC1 ZINC000909190357 807610654 /nfs/dbraw/zinc/61/06/54/807610654.db2.gz NVRJCVKKEVNZBF-GXFFZTMASA-N -1 0 304.343 -0.077 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)N(CCOC)CC(=O)[O-])[C@@H]1OC ZINC000909198653 807611687 /nfs/dbraw/zinc/61/16/87/807611687.db2.gz WIXQOUQNKLFXMM-UMNHJUIQSA-N -1 0 304.343 -0.079 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CN(C)S(=O)(=O)N(C)C ZINC000909807940 807617693 /nfs/dbraw/zinc/61/76/93/807617693.db2.gz IFDWHBMQVWKNLY-RKDXNWHRSA-N -1 0 307.372 -0.954 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCC2(O)CCC2)n1 ZINC001329805208 807621541 /nfs/dbraw/zinc/62/15/41/807621541.db2.gz BBPCWWNUMORHIG-UHFFFAOYSA-N -1 0 324.337 -0.328 20 0 DBADRM CN1CC[C@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])C1=O ZINC001329806915 807621778 /nfs/dbraw/zinc/62/17/78/807621778.db2.gz MWGPFQLKSXJYFL-QMMMGPOBSA-N -1 0 306.278 -0.935 20 0 DBADRM CN(CCOCCO)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001329807724 807622435 /nfs/dbraw/zinc/62/24/35/807622435.db2.gz QBNAYMBSKNUMBT-UHFFFAOYSA-N -1 0 311.294 -0.814 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001329814243 807623203 /nfs/dbraw/zinc/62/32/03/807623203.db2.gz ZGZHWEKYAUVNIS-NEPJUHHUSA-N -1 0 323.324 -0.018 20 0 DBADRM Cn1[n-]c(C(=O)NCCCN2CCCS2(=O)=O)cc1=O ZINC001329831811 807626577 /nfs/dbraw/zinc/62/65/77/807626577.db2.gz OBZPCGVXYXBVOW-UHFFFAOYSA-N -1 0 302.356 -0.719 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)[N-]OCCSC)[C@H]1OC ZINC001329834043 807627390 /nfs/dbraw/zinc/62/73/90/807627390.db2.gz LISMPEJLNGNIIB-OPRDCNLKSA-N -1 0 306.384 -0.294 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CCCCS1 ZINC001329834066 807627407 /nfs/dbraw/zinc/62/74/07/807627407.db2.gz NKPLKVLVNOQHRP-VIFPVBQESA-N -1 0 303.384 -0.428 20 0 DBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)[N-]OCCOC)C1 ZINC001329847193 807629585 /nfs/dbraw/zinc/62/95/85/807629585.db2.gz BOKCJYKZZMUEMQ-VIFPVBQESA-N -1 0 303.315 -0.972 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 ZINC001329897515 807638242 /nfs/dbraw/zinc/63/82/42/807638242.db2.gz GJEKUGTXNXNJBD-CQSZACIVSA-N -1 0 320.305 -0.301 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCCN(CC(F)F)CC1)C(=O)[O-] ZINC001329949145 807646292 /nfs/dbraw/zinc/64/62/92/807646292.db2.gz HIQHQSBKBSSUFL-VIFPVBQESA-N -1 0 321.324 -0.377 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCCN(CC(F)F)CC1)C(=O)[O-] ZINC001329949143 807646294 /nfs/dbraw/zinc/64/62/94/807646294.db2.gz HIQHQSBKBSSUFL-SECBINFHSA-N -1 0 321.324 -0.377 20 0 DBADRM CC(=O)Nc1ccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cn1 ZINC001329953632 807648081 /nfs/dbraw/zinc/64/80/81/807648081.db2.gz ZXKXCYPZVGFGOK-MRVPVSSYSA-N -1 0 322.321 -0.507 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@@H](O)Cc1ccccc1 ZINC000923247574 807655564 /nfs/dbraw/zinc/65/55/64/807655564.db2.gz ICAGARGFVLEQSM-STQMWFEESA-N -1 0 313.375 -0.226 20 0 DBADRM Cc1cccc(OC[C@H](O)CN2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000923251354 807655743 /nfs/dbraw/zinc/65/57/43/807655743.db2.gz OLZGRJJBRASHDN-CYBMUJFWSA-N -1 0 322.361 -0.036 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001330007386 807658700 /nfs/dbraw/zinc/65/87/00/807658700.db2.gz HKXGQMJFMWAMSN-VHSXEESVSA-N -1 0 313.354 -0.802 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC001330145160 807677809 /nfs/dbraw/zinc/67/78/09/807677809.db2.gz FXRMLYLTLXAQIZ-UHFFFAOYSA-N -1 0 303.278 -0.656 20 0 DBADRM O=Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])[nH]1 ZINC001330311896 807698168 /nfs/dbraw/zinc/69/81/68/807698168.db2.gz FSPGSRDVJAOSQO-SECBINFHSA-N -1 0 300.292 -0.849 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1)C(=O)[O-] ZINC001330505279 807724360 /nfs/dbraw/zinc/72/43/60/807724360.db2.gz ITCPNTZAEKDASF-BDAKNGLRSA-N -1 0 310.310 -0.553 20 0 DBADRM CO[N-]C(=O)CN1C(=O)N[C@H](Cc2cccc(OC)c2)C1=O ZINC000925255590 807732433 /nfs/dbraw/zinc/73/24/33/807732433.db2.gz CMCACGSPGLQWJF-LLVKDONJSA-N -1 0 307.306 -0.164 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)[N-]OCCSC)CC1 ZINC001330721009 807744632 /nfs/dbraw/zinc/74/46/32/807744632.db2.gz VFWNXWAXJGTNOU-UHFFFAOYSA-N -1 0 324.424 -0.519 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CO)C2)C[C@H]1C1CC1 ZINC000926327619 807759334 /nfs/dbraw/zinc/75/93/34/807759334.db2.gz WUQXJBXMQVBXQF-ZMLRMANQSA-N -1 0 310.350 -0.604 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@H](CO)C2)C1 ZINC000926327328 807759473 /nfs/dbraw/zinc/75/94/73/807759473.db2.gz UYMYUUIIMCKLPI-NHYWBVRUSA-N -1 0 312.366 -0.069 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)[C@@H]1CO ZINC000926344014 807762715 /nfs/dbraw/zinc/76/27/15/807762715.db2.gz VMQFJLWGOYEIQW-GWNIPJSYSA-N -1 0 324.377 -0.215 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCc2ccccc21 ZINC001331055386 807766933 /nfs/dbraw/zinc/76/69/33/807766933.db2.gz HSJZZZXBHAKQCD-GFCCVEGCSA-N -1 0 305.334 -0.026 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000927210339 807783230 /nfs/dbraw/zinc/78/32/30/807783230.db2.gz CPYPQXZOWUHZBE-ZDUSSCGKSA-N -1 0 311.342 -0.645 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000927207512 807783698 /nfs/dbraw/zinc/78/36/98/807783698.db2.gz UAMCKHZLFOQHPK-LLVKDONJSA-N -1 0 300.359 -0.830 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000927210865 807783885 /nfs/dbraw/zinc/78/38/85/807783885.db2.gz IBQDYAWTZFHDST-JTQLQIEISA-N -1 0 312.351 -0.392 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(CCOC(C)C)CC1 ZINC000927211753 807784349 /nfs/dbraw/zinc/78/43/49/807784349.db2.gz QQSADHXJEMUZGH-UHFFFAOYSA-N -1 0 302.375 -0.584 20 0 DBADRM CO[N-]C(=O)CNC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000927211958 807784433 /nfs/dbraw/zinc/78/44/33/807784433.db2.gz PXMGHQPOLRZPBX-LLVKDONJSA-N -1 0 322.369 -0.236 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000927211820 807784993 /nfs/dbraw/zinc/78/49/93/807784993.db2.gz OLHYZEVSRBRCSQ-LBPRGKRZSA-N -1 0 320.349 -0.063 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000927216159 807785662 /nfs/dbraw/zinc/78/56/62/807785662.db2.gz PHEVIUMBIBMNNO-VIFPVBQESA-N -1 0 301.347 -0.939 20 0 DBADRM CCn1cc([C@H]2CN(C(=O)NCC(=O)[N-]OC)CCO2)cn1 ZINC000927214092 807785750 /nfs/dbraw/zinc/78/57/50/807785750.db2.gz JFYWIUFYPVGCEZ-LLVKDONJSA-N -1 0 311.342 -0.337 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1OC ZINC000927214214 807785931 /nfs/dbraw/zinc/78/59/31/807785931.db2.gz HOLYAKPSXABVMB-UTUOFQBUSA-N -1 0 315.370 -0.111 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000927216894 807786116 /nfs/dbraw/zinc/78/61/16/807786116.db2.gz TZEQVDQDZPTNLF-GFCCVEGCSA-N -1 0 306.322 -0.324 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@H](N2CCCC2=O)CC1 ZINC000927217192 807786557 /nfs/dbraw/zinc/78/65/57/807786557.db2.gz SLLPOVKIPQCSOC-NSHDSACASA-N -1 0 312.370 -0.150 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F ZINC000927219411 807786562 /nfs/dbraw/zinc/78/65/62/807786562.db2.gz FFLWMPNYSZCPSO-SCSAIBSYSA-N -1 0 309.191 -0.478 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(c2cccc(F)n2)CC1 ZINC000927217418 807786650 /nfs/dbraw/zinc/78/66/50/807786650.db2.gz VQJBGSREKCXJSN-UHFFFAOYSA-N -1 0 311.317 -0.270 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(CC(C)C)C(=O)[C@H]1C ZINC000927217047 807787118 /nfs/dbraw/zinc/78/71/18/807787118.db2.gz IZPMWAIMSINIPH-SNVBAGLBSA-N -1 0 300.359 -0.438 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCN(CC(F)F)CC1)C(=O)[O-] ZINC000927962231 807801128 /nfs/dbraw/zinc/80/11/28/807801128.db2.gz YBLSQPQVEXJUHZ-VIFPVBQESA-N -1 0 321.324 -0.377 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCc2ccn(C)n2)CC[C@H]1C(=O)[O-] ZINC001331729151 807821752 /nfs/dbraw/zinc/82/17/52/807821752.db2.gz BJVXZHOZOWWWQD-CMPLNLGQSA-N -1 0 322.365 -0.352 20 0 DBADRM Cc1noc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC001331730592 807821792 /nfs/dbraw/zinc/82/17/92/807821792.db2.gz MBSZSZLSTQUVEX-APPZFPTMSA-N -1 0 310.310 -0.437 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)N[C@H](COC)[C@@H]1CCCO1 ZINC000929050023 807823089 /nfs/dbraw/zinc/82/30/89/807823089.db2.gz OGFJPAOUFBXLHN-MNOVXSKESA-N -1 0 304.343 -0.077 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC001331933397 807852934 /nfs/dbraw/zinc/85/29/34/807852934.db2.gz ATHIRIFDENHLTP-SRVKXCTJSA-N -1 0 300.355 -0.154 20 0 DBADRM O=C([O-])[C@@H](F)C1CN(C(=O)CC(=O)NCC(F)(F)F)C1 ZINC001332147330 807878650 /nfs/dbraw/zinc/87/86/50/807878650.db2.gz GGIHJMPLIBIWRU-QMMMGPOBSA-N -1 0 300.208 -0.064 20 0 DBADRM C[C@@]12COC[C@]1(C)CN(C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C2 ZINC001332182674 807881193 /nfs/dbraw/zinc/88/11/93/807881193.db2.gz FQBHGGIJXFOIRN-MYHLGGOVSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001332196935 807883453 /nfs/dbraw/zinc/88/34/53/807883453.db2.gz CUUZAUFKMURXDO-RMPHRYRLSA-N -1 0 310.350 -0.293 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)C1(C(=O)[O-])CCCC1 ZINC001332206724 807884583 /nfs/dbraw/zinc/88/45/83/807884583.db2.gz DPXKSXHFHSRNOW-LBPRGKRZSA-N -1 0 314.382 -0.217 20 0 DBADRM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cncnc3)cc2[nH]c1=O ZINC001332213736 807885786 /nfs/dbraw/zinc/88/57/86/807885786.db2.gz KELDGRZTGZTPON-UHFFFAOYSA-N -1 0 319.302 -0.193 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCOC1)c1cc[n+]([O-])cc1 ZINC001332338274 807901538 /nfs/dbraw/zinc/90/15/38/807901538.db2.gz BPRJWANLRKNABP-JTQLQIEISA-N -1 0 300.336 -0.194 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)[N-]O[C@H]2CCCCO2)C1=O ZINC000931316599 807915588 /nfs/dbraw/zinc/91/55/88/807915588.db2.gz DHWOAXINMBCBLM-JQWIXIFHSA-N -1 0 314.338 -0.028 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)[N-]O[C@H]2CCCCO2)C1=O ZINC000931316600 807915706 /nfs/dbraw/zinc/91/57/06/807915706.db2.gz DHWOAXINMBCBLM-PWSUYJOCSA-N -1 0 314.338 -0.028 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(S(=O)(=O)CC)CC1 ZINC001332589660 807944915 /nfs/dbraw/zinc/94/49/15/807944915.db2.gz UWQQCHLDRBIHRL-UHFFFAOYSA-N -1 0 321.399 -0.337 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@@]1(OC(C)C)CCOC1 ZINC000931988762 807951216 /nfs/dbraw/zinc/95/12/16/807951216.db2.gz NIHUNMDSPQIFJZ-AWEZNQCLSA-N -1 0 318.370 -0.229 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(C[C@H](C)O)CC2)cc1=O ZINC000932126111 807958670 /nfs/dbraw/zinc/95/86/70/807958670.db2.gz FZCUTRBRNPIVIB-ZDUSSCGKSA-N -1 0 324.425 -0.100 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(C[C@@H](C)O)CC2)cc1=O ZINC000932126110 807958793 /nfs/dbraw/zinc/95/87/93/807958793.db2.gz FZCUTRBRNPIVIB-CYBMUJFWSA-N -1 0 324.425 -0.100 20 0 DBADRM COc1ccccc1CO[N-]C(=O)C(=O)NCc1cn(C)nn1 ZINC001332743380 807972600 /nfs/dbraw/zinc/97/26/00/807972600.db2.gz OYOKHFUEHIWNOB-UHFFFAOYSA-N -1 0 319.321 -0.312 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC001332760815 807974685 /nfs/dbraw/zinc/97/46/85/807974685.db2.gz FKWJNPWGIUMPAD-NWDGAFQWSA-N -1 0 305.334 -0.157 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC001332760801 807974838 /nfs/dbraw/zinc/97/48/38/807974838.db2.gz FKWJNPWGIUMPAD-NEPJUHHUSA-N -1 0 305.334 -0.157 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1cccc(Cl)c1 ZINC001332779862 807977941 /nfs/dbraw/zinc/97/79/41/807977941.db2.gz RAFCNPKXZISKCS-UHFFFAOYSA-N -1 0 313.741 -0.208 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](CC)[C@H]1CCCO1 ZINC001332803068 807980761 /nfs/dbraw/zinc/98/07/61/807980761.db2.gz OMALLBXBQKEVKD-NXEZZACHSA-N -1 0 301.343 -0.756 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC001332850356 807987775 /nfs/dbraw/zinc/98/77/75/807987775.db2.gz NLYPAMFPKMECLL-SNVBAGLBSA-N -1 0 315.395 -0.333 20 0 DBADRM CN(C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1CC(O)C1 ZINC001332882324 807992119 /nfs/dbraw/zinc/99/21/19/807992119.db2.gz XBWIDINURPXDGS-MMVSWEMESA-N -1 0 310.350 -0.463 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCOC2(CCOCC2)CC1 ZINC001332912562 807996751 /nfs/dbraw/zinc/99/67/51/807996751.db2.gz HWBDUPHDEVZJIM-UHFFFAOYSA-N -1 0 301.343 -0.355 20 0 DBADRM C[C@H](CNC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)C(=O)[O-] ZINC001332947081 807999694 /nfs/dbraw/zinc/99/96/94/807999694.db2.gz RUOALJWJNXFCSD-MRVPVSSYSA-N -1 0 312.326 -0.567 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1c(C)nc2ccccn21 ZINC000934170629 808019733 /nfs/dbraw/zinc/01/97/33/808019733.db2.gz OGOFNMYBGIASHE-UHFFFAOYSA-N -1 0 306.322 -0.047 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1CC2(CO1)CCOCC2 ZINC001333219274 808030521 /nfs/dbraw/zinc/03/05/21/808030521.db2.gz CTGCIEDCGARFOY-NSHDSACASA-N -1 0 316.354 -0.618 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN3CCOC[C@H]3C2)cc1=O ZINC000935366826 808043504 /nfs/dbraw/zinc/04/35/04/808043504.db2.gz CUDLGHRTMVSGGI-CQSZACIVSA-N -1 0 322.409 -0.082 20 0 DBADRM COC(=O)c1cccn(CC(=O)[N-]OC2CCOCC2)c1=O ZINC000935456382 808046309 /nfs/dbraw/zinc/04/63/09/808046309.db2.gz MEXAWCQCLMYGQV-UHFFFAOYSA-N -1 0 310.306 -0.138 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000935609315 808052084 /nfs/dbraw/zinc/05/20/84/808052084.db2.gz ZTZFHCLZFMEFAI-UFSYXXTASA-N -1 0 300.380 -0.139 20 0 DBADRM CC(C)(O)CO[N-]C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000935691192 808054006 /nfs/dbraw/zinc/05/40/06/808054006.db2.gz UMHHJWCNWFYXEC-NEPJUHHUSA-N -1 0 302.371 -0.315 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](C)Cc1cccs1 ZINC001333407790 808055683 /nfs/dbraw/zinc/05/56/83/808055683.db2.gz LHOOBUJCICUABK-VIFPVBQESA-N -1 0 313.379 -0.163 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cc([C@H]2CCCOC2)nn1C)C(=O)[O-] ZINC001333515801 808070466 /nfs/dbraw/zinc/07/04/66/808070466.db2.gz GMHVZJXZLBWENB-BDAKNGLRSA-N -1 0 324.337 -0.158 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCC1(O)CCOCC1 ZINC001333515104 808070498 /nfs/dbraw/zinc/07/04/98/808070498.db2.gz AAWGZBZRRGIDRX-UHFFFAOYSA-N -1 0 323.305 -0.624 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H]2CSC[C@]2(C)C1 ZINC001333597128 808079046 /nfs/dbraw/zinc/07/90/46/808079046.db2.gz AXZASXUUGGYIOK-RNCFNFMXSA-N -1 0 315.395 -0.618 20 0 DBADRM C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001038264863 815172667 /nfs/dbraw/zinc/17/26/67/815172667.db2.gz DMRKZFQWPVTDLA-OPRDCNLKSA-N -1 0 322.369 -0.885 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC(OC[C@H]2CCOC2)CC1 ZINC001333629345 808083337 /nfs/dbraw/zinc/08/33/37/808083337.db2.gz FOFIHCAEDOGJAG-NSHDSACASA-N -1 0 315.370 -0.109 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001333629344 808083354 /nfs/dbraw/zinc/08/33/54/808083354.db2.gz FOFIHCAEDOGJAG-LLVKDONJSA-N -1 0 315.370 -0.109 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)NCCN1CCSCC1)C(=O)[O-] ZINC001333646038 808084726 /nfs/dbraw/zinc/08/47/26/808084726.db2.gz UIPDKDNIWZUNNW-JTQLQIEISA-N -1 0 317.411 -0.622 20 0 DBADRM CC[C@H](CNC(=O)C(=O)NCCN1CCSCC1)C(=O)[O-] ZINC001333646039 808084948 /nfs/dbraw/zinc/08/49/48/808084948.db2.gz UIPDKDNIWZUNNW-SNVBAGLBSA-N -1 0 317.411 -0.622 20 0 DBADRM O=C(CC[C@@H]1CCOC1)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000938238112 808086581 /nfs/dbraw/zinc/08/65/81/808086581.db2.gz QVKSGBQPKUDYFA-MNOVXSKESA-N -1 0 307.354 -0.048 20 0 DBADRM CO[C@@H](C(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)C1)C1CCC1 ZINC000938237986 808086857 /nfs/dbraw/zinc/08/68/57/808086857.db2.gz BSSOZXQKCYVLFY-CMPLNLGQSA-N -1 0 307.354 -0.050 20 0 DBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000938238205 808086961 /nfs/dbraw/zinc/08/69/61/808086961.db2.gz HVMORYXNRWVDLY-UMNHJUIQSA-N -1 0 307.354 -0.050 20 0 DBADRM COCCOCC(=O)NCC1CC(NC(=O)c2cn[nH]n2)C1 ZINC001333724674 808091030 /nfs/dbraw/zinc/09/10/30/808091030.db2.gz HBULUPGGXPBQHZ-UHFFFAOYSA-N -1 0 311.342 -0.908 20 0 DBADRM O=C([O-])[C@]1(NC(=O)NCCCN2CCOCC2)CCSC1 ZINC001334182141 808139064 /nfs/dbraw/zinc/13/90/64/808139064.db2.gz KAGGMPRDHRWSGS-ZDUSSCGKSA-N -1 0 317.411 -0.032 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cc2n(n1)CCC2 ZINC001038321043 815178077 /nfs/dbraw/zinc/17/80/77/815178077.db2.gz DUPMYXNNYKSVSR-SNVBAGLBSA-N -1 0 317.353 -0.343 20 0 DBADRM CCN1C[C@@H](C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001038328496 815178805 /nfs/dbraw/zinc/17/88/05/815178805.db2.gz MKLXBRRONXOROD-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1=O ZINC001334406128 808161671 /nfs/dbraw/zinc/16/16/71/808161671.db2.gz ZCWCETQYIVYWTM-RMLUDKJBSA-N -1 0 321.337 -0.282 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C2=COCCO2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947004377 808162298 /nfs/dbraw/zinc/16/22/98/808162298.db2.gz AQWQISHHHZAYCF-NXEZZACHSA-N -1 0 323.353 -0.132 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C2=COCCO2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947004381 808162312 /nfs/dbraw/zinc/16/23/12/808162312.db2.gz AQWQISHHHZAYCF-VHSXEESVSA-N -1 0 323.353 -0.132 20 0 DBADRM CC1(C(=O)N2CCC(NC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)CC1 ZINC000947008436 808163136 /nfs/dbraw/zinc/16/31/36/808163136.db2.gz GTJCONLDTSXLNS-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000947024471 808165045 /nfs/dbraw/zinc/16/50/45/808165045.db2.gz GIIOYQMMWDBVLK-VXNVDRBHSA-N -1 0 309.326 -0.938 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)Cn2cccn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947057363 808168697 /nfs/dbraw/zinc/16/86/97/808168697.db2.gz QZSWGQJKQCBUQU-GHMZBOCLSA-N -1 0 319.369 -0.124 20 0 DBADRM C[C@H]1C[C@H](NC(=O)Cn2cccn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947057366 808168838 /nfs/dbraw/zinc/16/88/38/808168838.db2.gz QZSWGQJKQCBUQU-WDEREUQCSA-N -1 0 319.369 -0.124 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2cc(F)cc(C)c2C1 ZINC001334510058 808173965 /nfs/dbraw/zinc/17/39/65/808173965.db2.gz KEZNZZLEBRPZDI-UHFFFAOYSA-N -1 0 323.324 -0.187 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCSC(C)(C)C1 ZINC001334511911 808173972 /nfs/dbraw/zinc/17/39/72/808173972.db2.gz RPCGYLPGOKSDKP-QMMMGPOBSA-N -1 0 303.384 -0.429 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC(Cc2ccsc2)C1 ZINC001334508246 808174073 /nfs/dbraw/zinc/17/40/73/808174073.db2.gz CAAWLSRSIURPLE-UHFFFAOYSA-N -1 0 311.363 -0.457 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1cccc(N(C)C)c1 ZINC001334512918 808174966 /nfs/dbraw/zinc/17/49/66/808174966.db2.gz WLJPJBXGUZHFLJ-UHFFFAOYSA-N -1 0 322.365 -0.495 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCO[C@@H](C(F)F)CC1 ZINC001334557443 808177086 /nfs/dbraw/zinc/17/70/86/808177086.db2.gz AKOTUQQWOHAOCQ-SSDOTTSWSA-N -1 0 306.273 -0.789 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC2(CCCCO2)CC1 ZINC001334560656 808177931 /nfs/dbraw/zinc/17/79/31/808177931.db2.gz TVDRYTOJSALFTA-UHFFFAOYSA-N -1 0 310.358 -0.110 20 0 DBADRM CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000947155485 808178569 /nfs/dbraw/zinc/17/85/69/808178569.db2.gz SBKIXFKOCMRXRS-HTQZYQBOSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)Cc2cc[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947148688 808178592 /nfs/dbraw/zinc/17/85/92/808178592.db2.gz SMJAWHXQUHVEFI-UWVGGRQHSA-N -1 0 319.369 -0.055 20 0 DBADRM CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000947153023 808178718 /nfs/dbraw/zinc/17/87/18/808178718.db2.gz WEHIRSOSFHNTQS-MWLCHTKSSA-N -1 0 322.365 -0.137 20 0 DBADRM CCC(=O)NC1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000947683135 808215921 /nfs/dbraw/zinc/21/59/21/808215921.db2.gz MRCNVYXKSIJKEH-UHFFFAOYSA-N -1 0 308.338 -0.383 20 0 DBADRM C/C(=C/C(=O)N1CCOC[C@H]1CC(=O)[O-])CN1CCOCC1 ZINC001334980990 808219575 /nfs/dbraw/zinc/21/95/75/808219575.db2.gz MZRBRJIHIWNFCH-LLBKUYECSA-N -1 0 312.366 -0.033 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC[C@H](OCC2CC2)C1 ZINC001335041511 808227239 /nfs/dbraw/zinc/22/72/39/808227239.db2.gz SALHVFQYXRJBOH-NSHDSACASA-N -1 0 310.358 -0.254 20 0 DBADRM CCC(CC)N(CCOC)C(=O)C(=O)NCC(=O)[N-]OC ZINC001335143234 808243947 /nfs/dbraw/zinc/24/39/47/808243947.db2.gz HYRPUGDKSNSFDB-UHFFFAOYSA-N -1 0 303.359 -0.556 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001335218131 808256936 /nfs/dbraw/zinc/25/69/36/808256936.db2.gz YDTMCWXJTVKHLD-NZNBFCPWSA-N -1 0 318.395 -0.561 20 0 DBADRM C[C@H]1C[C@H](NC(=O)Cn2ccnc2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000948089590 808262959 /nfs/dbraw/zinc/26/29/59/808262959.db2.gz CXVFBFCORQNMLM-WDEREUQCSA-N -1 0 319.369 -0.124 20 0 DBADRM CC[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])CC[C@H]1NC(=O)C(N)=O ZINC000948380914 808281024 /nfs/dbraw/zinc/28/10/24/808281024.db2.gz ZJPOQEIVMFNIKG-DTWKUNHWSA-N -1 0 323.353 -0.734 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC001335378412 808283189 /nfs/dbraw/zinc/28/31/89/808283189.db2.gz FSMDDFUSXOMHIN-NWDGAFQWSA-N -1 0 311.382 -0.280 20 0 DBADRM O=C([O-])COCCNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001335430309 808287523 /nfs/dbraw/zinc/28/75/23/808287523.db2.gz FJTKTAQBHMGFFT-LBPRGKRZSA-N -1 0 300.355 -0.153 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]1CNC(=O)C1CCC1 ZINC000948621218 808308069 /nfs/dbraw/zinc/30/80/69/808308069.db2.gz ROOQLRNOAGZREU-SECBINFHSA-N -1 0 309.326 -0.794 20 0 DBADRM COc1nccc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001038499698 815201402 /nfs/dbraw/zinc/20/14/02/815201402.db2.gz YPFVECPSGNNSOH-MRVPVSSYSA-N -1 0 319.325 -0.687 20 0 DBADRM CC[C@]1(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCNC1=O ZINC000948858913 808346378 /nfs/dbraw/zinc/34/63/78/808346378.db2.gz XFSZPZBCJZAARA-AWEZNQCLSA-N -1 0 322.369 -0.929 20 0 DBADRM Cc1cc(CN2CC[C@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001038467026 815197797 /nfs/dbraw/zinc/19/77/97/815197797.db2.gz WUYCUGGYYVTPBB-VIFPVBQESA-N -1 0 320.309 -0.416 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC001336303065 808361433 /nfs/dbraw/zinc/36/14/33/808361433.db2.gz YORPHLQZEIKFJP-ZWNOBZJWSA-N -1 0 305.334 0.000 20 0 DBADRM CCc1nnsc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038492975 815199973 /nfs/dbraw/zinc/19/99/73/815199973.db2.gz UHUMQFOVBINGEY-ZETCQYMHSA-N -1 0 323.382 -0.072 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2ccnn2C)c1[O-] ZINC000949051581 808383386 /nfs/dbraw/zinc/38/33/86/808383386.db2.gz UBVBMAXRHOMIRG-SECBINFHSA-N -1 0 318.337 -0.198 20 0 DBADRM COCCN1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC000949069580 808387846 /nfs/dbraw/zinc/38/78/46/808387846.db2.gz ITLKUWKLKSKVLN-UHFFFAOYSA-N -1 0 311.342 -0.994 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC000949117047 808398528 /nfs/dbraw/zinc/39/85/28/808398528.db2.gz WSORHUXQYINMIY-DTWKUNHWSA-N -1 0 321.337 -0.967 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001336619588 808400762 /nfs/dbraw/zinc/40/07/62/808400762.db2.gz CDAZBNIWJPJPTE-OGBGREFGSA-N -1 0 300.380 -0.063 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]1CNC(=O)C1CC=CC1 ZINC000949188991 808417120 /nfs/dbraw/zinc/41/71/20/808417120.db2.gz YYZVWEUQLNPWCC-SNVBAGLBSA-N -1 0 321.337 -0.627 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]1CNC(=O)C1=CCCC1 ZINC000949376611 808448180 /nfs/dbraw/zinc/44/81/80/808448180.db2.gz IPLFICCGJXARPG-SNVBAGLBSA-N -1 0 321.337 -0.483 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)Cc2ccon2)c1[O-] ZINC000949426487 808458638 /nfs/dbraw/zinc/45/86/38/808458638.db2.gz OXFLLWFRMSQMKV-JTQLQIEISA-N -1 0 319.321 -0.015 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)CC(C)(C)O)c1[O-] ZINC000949424648 808458662 /nfs/dbraw/zinc/45/86/62/808458662.db2.gz BXYSFYSSEVBRAR-SECBINFHSA-N -1 0 310.354 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2ccnn2C)c1[O-] ZINC000949425194 808458866 /nfs/dbraw/zinc/45/88/66/808458866.db2.gz IDHYRDNGHVLZHE-SECBINFHSA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2cn[nH]c2)c1[O-] ZINC000949427004 808458924 /nfs/dbraw/zinc/45/89/24/808458924.db2.gz TZMRZGJRHDOCMT-VIFPVBQESA-N -1 0 304.310 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2ncccn2)c1[O-] ZINC000949435326 808461207 /nfs/dbraw/zinc/46/12/07/808461207.db2.gz PLLMFSKSTCBPDR-SECBINFHSA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2cnn(C)n2)c1[O-] ZINC000949435958 808461463 /nfs/dbraw/zinc/46/14/63/808461463.db2.gz UZIGSUAIMBMBOS-MRVPVSSYSA-N -1 0 319.325 -0.803 20 0 DBADRM NC(=O)c1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)co1 ZINC000949470701 808466087 /nfs/dbraw/zinc/46/60/87/808466087.db2.gz DBFVXMLAPAVVMP-UHFFFAOYSA-N -1 0 320.309 -0.840 20 0 DBADRM CN1C(=O)CC[C@H]1CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949613294 808497265 /nfs/dbraw/zinc/49/72/65/808497265.db2.gz AXLDQBPNANFEAA-JTQLQIEISA-N -1 0 322.369 -0.835 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCN(C(=O)C2CCC2)C1 ZINC000949624856 808499218 /nfs/dbraw/zinc/49/92/18/808499218.db2.gz IRVZUPMDXQDUDU-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCCN(C(=O)C2CCC2)C1 ZINC000949624854 808499343 /nfs/dbraw/zinc/49/93/43/808499343.db2.gz IRVZUPMDXQDUDU-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2cnnn2C)c1[O-] ZINC000949671563 808509301 /nfs/dbraw/zinc/50/93/01/808509301.db2.gz BMECBYHRHUHUHC-MRVPVSSYSA-N -1 0 319.325 -0.803 20 0 DBADRM O=C(Nc1nnn[n-]1)c1n[nH]cc1I ZINC001338152941 808520738 /nfs/dbraw/zinc/52/07/38/808520738.db2.gz YFOPETINNOJGSL-UHFFFAOYSA-N -1 0 305.039 -0.220 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCn2ncnc2C1 ZINC001338233385 808526933 /nfs/dbraw/zinc/52/69/33/808526933.db2.gz JWFOMWNLVVUHIZ-UHFFFAOYSA-N -1 0 313.277 -0.317 20 0 DBADRM C[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000949771145 808538278 /nfs/dbraw/zinc/53/82/78/808538278.db2.gz NBENNURTKIIIHZ-HTQZYQBOSA-N -1 0 321.337 -0.340 20 0 DBADRM CCN(C(=O)[C@H]1C[C@@H]1C(=O)OC)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949776642 808539220 /nfs/dbraw/zinc/53/92/20/808539220.db2.gz SNGVXZPTACYXEA-UWVGGRQHSA-N -1 0 323.353 -0.648 20 0 DBADRM CCN(C(=O)c1c[nH]c(C)n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949784239 808541602 /nfs/dbraw/zinc/54/16/02/808541602.db2.gz HVQGRWCONJQNGW-UHFFFAOYSA-N -1 0 305.342 -0.112 20 0 DBADRM CCN(C(=O)c1nnn(C)c1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949822301 808548415 /nfs/dbraw/zinc/54/84/15/808548415.db2.gz FJLBPVURCSQNLZ-UHFFFAOYSA-N -1 0 320.357 -0.706 20 0 DBADRM CC(C)=CC(=O)N1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000949872843 808557133 /nfs/dbraw/zinc/55/71/33/808557133.db2.gz BOWRXHGGTKSOFR-SNVBAGLBSA-N -1 0 323.353 -0.237 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(CC(=O)N(C)C)C1 ZINC000949900674 808561649 /nfs/dbraw/zinc/56/16/49/808561649.db2.gz NZKACOKHTKCECO-UHFFFAOYSA-N -1 0 309.370 -0.342 20 0 DBADRM Cn1nc(C2CCCC2)cc1NC(=O)C(=O)[N-]OCC(N)=O ZINC001338724816 808565406 /nfs/dbraw/zinc/56/54/06/808565406.db2.gz UXWWGTKLSJUFOA-UHFFFAOYSA-N -1 0 309.326 -0.451 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000950075097 808585138 /nfs/dbraw/zinc/58/51/38/808585138.db2.gz HCYVVAUMKFGHLS-SNVBAGLBSA-N -1 0 322.365 -0.137 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1csc(=O)[nH]1 ZINC001038622337 815220190 /nfs/dbraw/zinc/22/01/90/815220190.db2.gz RRLHZLGNBNOOGI-ZCFIWIBFSA-N -1 0 310.339 -0.323 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC001339481186 808591374 /nfs/dbraw/zinc/59/13/74/808591374.db2.gz GLBJDLLMLSAYPZ-LLVKDONJSA-N -1 0 312.326 -0.305 20 0 DBADRM CCOCCOCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001339801300 808604228 /nfs/dbraw/zinc/60/42/28/808604228.db2.gz DUISSOLQYGSKSD-BXUZGUMPSA-N -1 0 316.354 -0.218 20 0 DBADRM CC1(C)CO[C@H](CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC001339804182 808604271 /nfs/dbraw/zinc/60/42/71/808604271.db2.gz RHKZPEWJJRBJMV-JTQLQIEISA-N -1 0 313.354 -0.260 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2nc3nccc(C)n3n2)C1=O ZINC001339804410 808604415 /nfs/dbraw/zinc/60/44/15/808604415.db2.gz UOBLNMGTJFFOCV-ZDUSSCGKSA-N -1 0 317.309 -0.202 20 0 DBADRM Cn1cc(C(=O)C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC001340107023 808620943 /nfs/dbraw/zinc/62/09/43/808620943.db2.gz WYMSNFHEHKCJKP-MRVPVSSYSA-N -1 0 304.310 -0.167 20 0 DBADRM COc1ccc(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cn1 ZINC001340305551 808632429 /nfs/dbraw/zinc/63/24/29/808632429.db2.gz YWYCGXQKJFGSGG-LLVKDONJSA-N -1 0 309.322 -0.209 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)NCC[C@@H]2CCCOC2)CC1 ZINC001340566184 808643341 /nfs/dbraw/zinc/64/33/41/808643341.db2.gz CVABJRLHUOTWIY-NSHDSACASA-N -1 0 313.354 -0.259 20 0 DBADRM COc1ccccc1CO[N-]C(=O)C(=O)NC[C@H]1COCCO1 ZINC001340779866 808655845 /nfs/dbraw/zinc/65/58/45/808655845.db2.gz VKOKDXGAUMHNQE-LBPRGKRZSA-N -1 0 324.333 -0.225 20 0 DBADRM COC(=O)CCCCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001341075523 808668806 /nfs/dbraw/zinc/66/88/06/808668806.db2.gz WMDVLGNETKHUFJ-SNVBAGLBSA-N -1 0 302.327 -0.470 20 0 DBADRM CCN(C(=O)c1c(C)ncn1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950564291 808674730 /nfs/dbraw/zinc/67/47/30/808674730.db2.gz WBUCKZZMEWAXGA-UHFFFAOYSA-N -1 0 319.369 -0.101 20 0 DBADRM CO[C@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001341241927 808676223 /nfs/dbraw/zinc/67/62/23/808676223.db2.gz PEPCWLBRXSDDEO-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@@]12COC[C@@H]1CN(C(=O)NCCOCCOCC(=O)[O-])C2 ZINC001341329056 808679643 /nfs/dbraw/zinc/67/96/43/808679643.db2.gz PDIBHELLYDYCFE-SMDDNHRTSA-N -1 0 316.354 -0.218 20 0 DBADRM C[C@@H]1COCC[C@H]1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001341366854 808681453 /nfs/dbraw/zinc/68/14/53/808681453.db2.gz CHWNDROGJGLTBR-MNOVXSKESA-N -1 0 313.354 -0.403 20 0 DBADRM C[C@@H]1COCCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001341448174 808686121 /nfs/dbraw/zinc/68/61/21/808686121.db2.gz CITZTQUDQKXBRE-LLVKDONJSA-N -1 0 304.343 -0.075 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(CSC)CC1 ZINC001341629295 808693151 /nfs/dbraw/zinc/69/31/51/808693151.db2.gz FFIGLKHRQGXQAD-UHFFFAOYSA-N -1 0 317.411 -0.228 20 0 DBADRM CCN(C(=O)[C@@H]1CCC(=O)NC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950705432 808699668 /nfs/dbraw/zinc/69/96/68/808699668.db2.gz ZVRXVDCMOYWALS-SECBINFHSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC001342009345 808710676 /nfs/dbraw/zinc/71/06/76/808710676.db2.gz NEORCEUWRGCCHU-UHFFFAOYSA-N -1 0 305.250 -0.506 20 0 DBADRM CCCc1cc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001342007407 808710878 /nfs/dbraw/zinc/71/08/78/808710878.db2.gz FEHHDLKNWYZLKI-UHFFFAOYSA-N -1 0 307.314 -0.549 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCCc2ccccc2C1 ZINC001342030572 808712641 /nfs/dbraw/zinc/71/26/41/808712641.db2.gz SQMPFBCTLOPLLE-CYBMUJFWSA-N -1 0 319.361 -0.156 20 0 DBADRM Cn1nc(C2CC2)cc1CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001342087478 808715195 /nfs/dbraw/zinc/71/51/95/808715195.db2.gz SQBBUMQCXFTYIT-SNVBAGLBSA-N -1 0 322.365 -0.002 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC001342212224 808720541 /nfs/dbraw/zinc/72/05/41/808720541.db2.gz KEHQYDCFMJJQSO-KOLCDFICSA-N -1 0 308.338 -0.012 20 0 DBADRM Cc1cc(C[C@H](C)NC(=O)C(=O)[N-]OC[C@H]2CCOC2)[nH]n1 ZINC001342233435 808721504 /nfs/dbraw/zinc/72/15/04/808721504.db2.gz YDDUZOHBEHSBDE-ONGXEEELSA-N -1 0 310.354 -0.150 20 0 DBADRM Cc1ccnn1CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000950971108 808742528 /nfs/dbraw/zinc/74/25/28/808742528.db2.gz NWKRPSMRSLEDGT-UHFFFAOYSA-N -1 0 305.342 -0.640 20 0 DBADRM CCN(C(=O)[C@H]1CC[C@@H]1C(N)=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000951126355 808770103 /nfs/dbraw/zinc/77/01/03/808770103.db2.gz PTVPPAWYZMQLRG-UWVGGRQHSA-N -1 0 322.369 -0.946 20 0 DBADRM CCn1ccc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000951196413 808780208 /nfs/dbraw/zinc/78/02/08/808780208.db2.gz UWLLSDIIMRPZBO-UHFFFAOYSA-N -1 0 305.342 -0.315 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)[C@H]1CC12CC2)c1n[nH]c(=O)[n-]c1=O ZINC000951298355 808794506 /nfs/dbraw/zinc/79/45/06/808794506.db2.gz XBPSPUUHLFEXKY-HTQZYQBOSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)c1ccc[nH]1)c1n[nH]c(=O)[n-]c1=O ZINC000951297415 808794751 /nfs/dbraw/zinc/79/47/51/808794751.db2.gz AIFMTMLHILZVCG-SSDOTTSWSA-N -1 0 318.293 -0.745 20 0 DBADRM CC(C)(F)C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951296262 808794762 /nfs/dbraw/zinc/79/47/62/808794762.db2.gz ROVZSIKJHABLGX-LURJTMIESA-N -1 0 313.289 -0.638 20 0 DBADRM O=C(C=C1CCC1)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297952 808794865 /nfs/dbraw/zinc/79/48/65/808794865.db2.gz NAIZNKAJXDAGFD-VIFPVBQESA-N -1 0 319.321 -0.276 20 0 DBADRM CC[C@H](C)C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297764 808794914 /nfs/dbraw/zinc/79/49/14/808794914.db2.gz JIDSCVWBLOXIDZ-YUMQZZPRSA-N -1 0 309.326 -0.340 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCCC(=O)N1 ZINC001038702830 815237567 /nfs/dbraw/zinc/23/75/67/815237567.db2.gz RLYAJEWJUAYDOF-UWVGGRQHSA-N -1 0 322.369 -0.740 20 0 DBADRM CC[C@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951450874 808820156 /nfs/dbraw/zinc/82/01/56/808820156.db2.gz KSOBBOVIUUPJCG-VHSXEESVSA-N -1 0 322.365 -0.137 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951450762 808820601 /nfs/dbraw/zinc/82/06/01/808820601.db2.gz IMAGQVYXNQXIBN-WXLQGSQKSA-N -1 0 320.349 -0.217 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951450761 808820608 /nfs/dbraw/zinc/82/06/08/808820608.db2.gz IMAGQVYXNQXIBN-LLGDCAAFSA-N -1 0 320.349 -0.217 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000951461730 808824795 /nfs/dbraw/zinc/82/47/95/808824795.db2.gz RSDPQALZNKVLTR-IWSPIJDZSA-N -1 0 321.337 -0.340 20 0 DBADRM CC1(C(=O)N[C@@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000951460764 808825175 /nfs/dbraw/zinc/82/51/75/808825175.db2.gz DGIQJAMBPGQBMU-MRVPVSSYSA-N -1 0 321.337 -0.196 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000951510261 808835255 /nfs/dbraw/zinc/83/52/55/808835255.db2.gz HVBBMIUCKLFNLK-SECBINFHSA-N -1 0 311.342 -0.548 20 0 DBADRM COC[C@H](C)N1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC000951550320 808842729 /nfs/dbraw/zinc/84/27/29/808842729.db2.gz NWSOVGUDGVOJAS-NSHDSACASA-N -1 0 319.365 -0.185 20 0 DBADRM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000951607898 808860557 /nfs/dbraw/zinc/86/05/57/808860557.db2.gz ZAGOVFSWJRFQLH-JTQLQIEISA-N -1 0 319.369 -0.244 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)c1[O-] ZINC000951634799 808867126 /nfs/dbraw/zinc/86/71/26/808867126.db2.gz CTQZWUXOULTFSL-MRVPVSSYSA-N -1 0 319.325 -0.424 20 0 DBADRM Cc1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)nc(C)n1 ZINC000951727664 808885332 /nfs/dbraw/zinc/88/53/32/808885332.db2.gz ZULQNWHFCJSSEE-UHFFFAOYSA-N -1 0 317.353 -0.125 20 0 DBADRM Cc1ncc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c(C)n1 ZINC000951793344 808903523 /nfs/dbraw/zinc/90/35/23/808903523.db2.gz OLJUNZWYBILOPR-UHFFFAOYSA-N -1 0 317.353 -0.125 20 0 DBADRM CCc1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n(C)n1 ZINC000952390082 808986613 /nfs/dbraw/zinc/98/66/13/808986613.db2.gz PZTWUHADXPOVFQ-UHFFFAOYSA-N -1 0 319.369 -0.236 20 0 DBADRM C[C@H]1C[C@@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCO1 ZINC000952440403 808990626 /nfs/dbraw/zinc/99/06/26/808990626.db2.gz ZBEPLQMEPLYXJS-QWRGUYRKSA-N -1 0 309.370 -0.030 20 0 DBADRM CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000952570539 808995991 /nfs/dbraw/zinc/99/59/91/808995991.db2.gz GVERWSYWYKUPKX-ZJUUUORDSA-N -1 0 309.326 -0.699 20 0 DBADRM CC(=O)N1CCC[C@]2(CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000952928560 809009484 /nfs/dbraw/zinc/00/94/84/809009484.db2.gz JTTHMQXSUGOXDE-AWEZNQCLSA-N -1 0 321.337 -0.243 20 0 DBADRM CC(=O)N1CC[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC000953227437 809024913 /nfs/dbraw/zinc/02/49/13/809024913.db2.gz PQTJIGKOTRYENL-ZYHUDNBSSA-N -1 0 320.349 -0.431 20 0 DBADRM CC(=O)N1CC[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)[C@H]2C1 ZINC000953227434 809025040 /nfs/dbraw/zinc/02/50/40/809025040.db2.gz PQTJIGKOTRYENL-PWSUYJOCSA-N -1 0 320.349 -0.431 20 0 DBADRM CCC(=O)N1CC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000953226415 809025173 /nfs/dbraw/zinc/02/51/73/809025173.db2.gz IGASZLGXYFAFLG-VHSXEESVSA-N -1 0 323.353 -0.451 20 0 DBADRM CC(=O)N1CC[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000953247406 809026753 /nfs/dbraw/zinc/02/67/53/809026753.db2.gz WWMZQMUMGISEFM-IUCAKERBSA-N -1 0 307.310 -0.634 20 0 DBADRM CCC(=O)N(C)C1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000953438756 809044377 /nfs/dbraw/zinc/04/43/77/809044377.db2.gz SAWVPNSHQVPKMZ-UHFFFAOYSA-N -1 0 303.322 -0.285 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000953625375 809059296 /nfs/dbraw/zinc/05/92/96/809059296.db2.gz XKUREZZZBALTRE-SVRRBLITSA-N -1 0 307.310 -0.778 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000953625376 809059542 /nfs/dbraw/zinc/05/95/42/809059542.db2.gz XKUREZZZBALTRE-XPUUQOCRSA-N -1 0 307.310 -0.778 20 0 DBADRM CC(=O)N[C@@H](C)[C@@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000953637884 809060464 /nfs/dbraw/zinc/06/04/64/809060464.db2.gz PMXNTGHNMWWXMS-WPRPVWTQSA-N -1 0 311.342 -0.405 20 0 DBADRM Cc1cc(=O)c(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)c[nH]1 ZINC001038871758 815262445 /nfs/dbraw/zinc/26/24/45/815262445.db2.gz JDJSESQRFOYIOT-SECBINFHSA-N -1 0 318.337 -0.489 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)[C@@H]3CCOC3)C2)c1[O-] ZINC000953849695 809105804 /nfs/dbraw/zinc/10/58/04/809105804.db2.gz YXSCSPDDPWSDMR-SECBINFHSA-N -1 0 308.338 -0.257 20 0 DBADRM COc1cccc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001038876121 815262305 /nfs/dbraw/zinc/26/23/05/815262305.db2.gz KCBIXUUESNFDDD-VIFPVBQESA-N -1 0 318.337 -0.082 20 0 DBADRM C[C@@H](C(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000953980628 809142808 /nfs/dbraw/zinc/14/28/08/809142808.db2.gz DXLAWXOCDKPMDK-SSDOTTSWSA-N -1 0 321.337 -0.388 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)[C@]34C[C@H]3COC4)C2)c1[O-] ZINC000954069843 809154816 /nfs/dbraw/zinc/15/48/16/809154816.db2.gz HCOKTBOPTNETPR-VFZGTOFNSA-N -1 0 320.349 -0.257 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3cn(C)nn3)C2)c1[O-] ZINC000954070730 809155329 /nfs/dbraw/zinc/15/53/29/809155329.db2.gz ZZUKUAADIAIHTA-UHFFFAOYSA-N -1 0 319.325 -0.851 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3cncn3C)C2)c1[O-] ZINC000954073882 809155598 /nfs/dbraw/zinc/15/55/98/809155598.db2.gz VQFKYEGPZLGENS-UHFFFAOYSA-N -1 0 318.337 -0.246 20 0 DBADRM CN(C(=O)c1ncccc1O)C1CN(C(=O)c2nc[nH]n2)C1 ZINC000954125395 809167301 /nfs/dbraw/zinc/16/73/01/809167301.db2.gz MTVRJBDWBAEKQI-UHFFFAOYSA-N -1 0 302.294 -0.498 20 0 DBADRM CNC(=O)CN1CC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001038923724 815267291 /nfs/dbraw/zinc/26/72/91/815267291.db2.gz VHAAZAFKVNZFDY-MRVPVSSYSA-N -1 0 319.321 -0.522 20 0 DBADRM C[C@H](C(N)=O)N1CC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001038924279 815267640 /nfs/dbraw/zinc/26/76/40/815267640.db2.gz ZICNNMBLIQTZNA-HTQZYQBOSA-N -1 0 319.321 -0.394 20 0 DBADRM CN(C(=O)C1(C)CC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954470086 809239429 /nfs/dbraw/zinc/23/94/29/809239429.db2.gz FSZGXBHTDPLJPK-UHFFFAOYSA-N -1 0 309.326 -0.841 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038984633 815276475 /nfs/dbraw/zinc/27/64/75/815276475.db2.gz PSTIYGIUBCNFOX-UWVGGRQHSA-N -1 0 322.369 -0.788 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C(C)(C)C)C1 ZINC000954877033 809305183 /nfs/dbraw/zinc/30/51/83/809305183.db2.gz KOFZRDWWHFGOOZ-UHFFFAOYSA-N -1 0 309.326 -0.388 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C2CCCC2)C1 ZINC000954877241 809305219 /nfs/dbraw/zinc/30/52/19/809305219.db2.gz QMIPANJMFBOYAO-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM CC[C@@H](C)C(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954934178 809311651 /nfs/dbraw/zinc/31/16/51/809311651.db2.gz VMUABRSGSCCYTN-MRVPVSSYSA-N -1 0 311.342 -0.595 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)c2ccoc2)C1 ZINC000954933946 809311844 /nfs/dbraw/zinc/31/18/44/809311844.db2.gz NSLAXPYBEAKNEI-UHFFFAOYSA-N -1 0 321.293 -0.735 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000955216580 809379878 /nfs/dbraw/zinc/37/98/78/809379878.db2.gz MWRJHUDHASXOIS-SFYZADRCSA-N -1 0 321.337 -0.388 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)c2cn[nH]n2)c1[O-] ZINC000956090742 809484977 /nfs/dbraw/zinc/48/49/77/809484977.db2.gz LABARYSORIHRFX-QMMMGPOBSA-N -1 0 319.325 -0.424 20 0 DBADRM CC(=O)NC[C@@H]1CCCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC000956092385 809485573 /nfs/dbraw/zinc/48/55/73/809485573.db2.gz JSSDGOMYCJEWKF-VIFPVBQESA-N -1 0 309.326 -0.658 20 0 DBADRM CC1(NC(=O)C2CC2)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000956259579 809506104 /nfs/dbraw/zinc/50/61/04/809506104.db2.gz CUCQYACCGINKED-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM CC(=O)N1CCC(C)(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000956443128 809513426 /nfs/dbraw/zinc/51/34/26/809513426.db2.gz TYDBSHBMJVYKNZ-UHFFFAOYSA-N -1 0 308.338 -0.383 20 0 DBADRM CCN(C(=O)c1cccnn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000957032340 809578644 /nfs/dbraw/zinc/57/86/44/809578644.db2.gz HUXSQTRWEHYQEA-UHFFFAOYSA-N -1 0 303.326 -0.353 20 0 DBADRM O=C([C@H]1C[C@@]12CCOC2)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957110898 809586631 /nfs/dbraw/zinc/58/66/31/809586631.db2.gz WVUWGZOVEPBKFB-QMTHXVAHSA-N -1 0 307.354 -0.419 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957236409 809608162 /nfs/dbraw/zinc/60/81/62/809608162.db2.gz ZNKUKFYDJZRVQF-YOIVXCQUSA-N -1 0 321.337 -0.030 20 0 DBADRM CCC(=O)N1CC[C@](C)(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000957267194 809611533 /nfs/dbraw/zinc/61/15/33/809611533.db2.gz HYHWVQBPCOVMSX-AWEZNQCLSA-N -1 0 308.338 -0.383 20 0 DBADRM CCC(=O)N1CC[C@@](C)(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000957267195 809611542 /nfs/dbraw/zinc/61/15/42/809611542.db2.gz HYHWVQBPCOVMSX-CQSZACIVSA-N -1 0 308.338 -0.383 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@@]1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000957327510 809627513 /nfs/dbraw/zinc/62/75/13/809627513.db2.gz YUUYWVURSGDXFH-FZNYLWTLSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957393711 809636335 /nfs/dbraw/zinc/63/63/35/809636335.db2.gz YPYSAUVTTGBFLD-NSHDSACASA-N -1 0 322.369 -0.835 20 0 DBADRM Cc1cc(CN2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)on1 ZINC000957464837 809646122 /nfs/dbraw/zinc/64/61/22/809646122.db2.gz QZWWZDXLGXVJIB-UHFFFAOYSA-N -1 0 322.325 -0.670 20 0 DBADRM CCN(C(=O)c1[nH]cnc1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000957472073 809647550 /nfs/dbraw/zinc/64/75/50/809647550.db2.gz YLCRTDWHMXWXQE-UHFFFAOYSA-N -1 0 305.342 -0.112 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000957764178 809671382 /nfs/dbraw/zinc/67/13/82/809671382.db2.gz RCDZHSCLYDOETM-LDYMZIIASA-N -1 0 318.337 -0.946 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccccn1 ZINC000957803973 809678591 /nfs/dbraw/zinc/67/85/91/809678591.db2.gz OJWBZLNGFUGRFE-GXSJLCMTSA-N -1 0 318.337 -0.872 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCCC1 ZINC000957808024 809679139 /nfs/dbraw/zinc/67/91/39/809679139.db2.gz NIJXLFCFQKLRID-QWRGUYRKSA-N -1 0 309.370 -0.391 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CCCC1 ZINC000957808025 809680332 /nfs/dbraw/zinc/68/03/32/809680332.db2.gz NIJXLFCFQKLRID-WDEREUQCSA-N -1 0 309.370 -0.391 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CCCCC1 ZINC000957821429 809683499 /nfs/dbraw/zinc/68/34/99/809683499.db2.gz RKIPVYFUGAKPNW-NWDGAFQWSA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cccs1 ZINC000957838999 809688286 /nfs/dbraw/zinc/68/82/86/809688286.db2.gz VYQUOYRXLNDRBF-DTWKUNHWSA-N -1 0 323.378 -0.206 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)on1 ZINC000957859068 809695024 /nfs/dbraw/zinc/69/50/24/809695024.db2.gz KNSQIHZXFMFKJY-RKDXNWHRSA-N -1 0 322.325 -0.971 20 0 DBADRM Cn1cccc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000957878391 809699005 /nfs/dbraw/zinc/69/90/05/809699005.db2.gz LLUYAUZVYQJTCB-MWLCHTKSSA-N -1 0 320.353 -0.929 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cncs1 ZINC000957911508 809715312 /nfs/dbraw/zinc/71/53/12/809715312.db2.gz QVZUEPPOMHULQQ-HTQZYQBOSA-N -1 0 324.366 -0.811 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1=COCCC1 ZINC000957925782 809719339 /nfs/dbraw/zinc/71/93/39/809719339.db2.gz GKBNYHGXQSMVGQ-QWRGUYRKSA-N -1 0 323.353 -0.887 20 0 DBADRM CCc1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1C ZINC000957928690 809720890 /nfs/dbraw/zinc/72/08/90/809720890.db2.gz HQCWYWQDLHBSQP-UHFFFAOYSA-N -1 0 319.369 -0.236 20 0 DBADRM Cn1ccc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1 ZINC000957974661 809731449 /nfs/dbraw/zinc/73/14/49/809731449.db2.gz HGXLSSPWPUPORV-MNOVXSKESA-N -1 0 320.353 -0.929 20 0 DBADRM CC1(C)CC(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)C1 ZINC000958048166 809751435 /nfs/dbraw/zinc/75/14/35/809751435.db2.gz ZCOPSPDAWCNHMB-GHMZBOCLSA-N -1 0 323.397 -0.145 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccsn1 ZINC000958175240 809794268 /nfs/dbraw/zinc/79/42/68/809794268.db2.gz KVQBLRYMAXWHEX-APPZFPTMSA-N -1 0 324.366 -0.811 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000958339819 809865742 /nfs/dbraw/zinc/86/57/42/809865742.db2.gz NWNVNQQJTGCXFV-IIRVCBMXSA-N -1 0 321.381 -0.535 20 0 DBADRM Cc1nocc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000958367017 809880460 /nfs/dbraw/zinc/88/04/60/809880460.db2.gz XSQIKQDEOQNWIH-WPRPVWTQSA-N -1 0 322.325 -0.971 20 0 DBADRM Cc1nocc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958367016 809880563 /nfs/dbraw/zinc/88/05/63/809880563.db2.gz XSQIKQDEOQNWIH-WCBMZHEXSA-N -1 0 322.325 -0.971 20 0 DBADRM Cc1cnoc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958563448 809957725 /nfs/dbraw/zinc/95/77/25/809957725.db2.gz NQODQBNBDSXAHO-RKDXNWHRSA-N -1 0 322.325 -0.971 20 0 DBADRM CCc1nc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)co1 ZINC000958622340 809981552 /nfs/dbraw/zinc/98/15/52/809981552.db2.gz SBRJHZLXLYTOCE-JDICNCQASA-N -1 0 318.337 -0.079 20 0 DBADRM Cc1c[nH]nc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958820468 810039577 /nfs/dbraw/zinc/03/95/77/810039577.db2.gz SSXDMSNXNNWHDV-VROVMSAKSA-N -1 0 303.326 -0.598 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CN(C(=O)CC3CC3)C[C@@H]2O)c1[O-] ZINC000958825192 810040843 /nfs/dbraw/zinc/04/08/43/810040843.db2.gz WPHFJFXOKXUJMM-QWRGUYRKSA-N -1 0 322.365 -0.132 20 0 DBADRM C[C@@H](NC(=O)C1CC1)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000959225231 810086122 /nfs/dbraw/zinc/08/61/22/810086122.db2.gz XHPMJBLHCSQNJJ-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM COCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000959321266 810095148 /nfs/dbraw/zinc/09/51/48/810095148.db2.gz JRUVASHZWWPWBO-WCBMZHEXSA-N -1 0 310.354 -0.106 20 0 DBADRM CC(=O)N1CC[C@@](O)(CNC(=O)c2cccc3n[nH]nc32)C1 ZINC001039806136 815339961 /nfs/dbraw/zinc/33/99/61/815339961.db2.gz TVFMKXAIFZINLD-CQSZACIVSA-N -1 0 303.322 -0.329 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC000959538745 810108527 /nfs/dbraw/zinc/10/85/27/810108527.db2.gz RNCSJPBWLDURIM-SCZZXKLOSA-N -1 0 308.338 -0.670 20 0 DBADRM CC(=O)N1C[C@@H]2CN(C(=O)c3c[n-]n4c3nccc4=O)C[C@@H]2C1 ZINC000959771891 810120896 /nfs/dbraw/zinc/12/08/96/810120896.db2.gz QKJBEADNJZNMRI-PHIMTYICSA-N -1 0 315.333 -0.427 20 0 DBADRM CCC(=O)N1CCO[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21 ZINC000959840019 810127998 /nfs/dbraw/zinc/12/79/98/810127998.db2.gz LLNPHAMJONWYKU-VHSXEESVSA-N -1 0 308.338 -0.114 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)nn1 ZINC000959847166 810128707 /nfs/dbraw/zinc/12/87/07/810128707.db2.gz MTAMFJRXIWSIOU-GDGBQDQQSA-N -1 0 315.337 -0.531 20 0 DBADRM CCC(=O)N1C[C@H]2OCCN(C(=O)c3n[nH]c(C)c3[O-])[C@H]2C1 ZINC000960245064 810163147 /nfs/dbraw/zinc/16/31/47/810163147.db2.gz DDSDHGSIDOBRFI-VHSXEESVSA-N -1 0 308.338 -0.114 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)c1cnn(C)c1 ZINC000960415903 810174696 /nfs/dbraw/zinc/17/46/96/810174696.db2.gz HRUXQCWQRUJRPT-LLVKDONJSA-N -1 0 319.369 -0.020 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)c1cn[nH]c1 ZINC000960460650 810177428 /nfs/dbraw/zinc/17/74/28/810177428.db2.gz UHKQKKRNDHOQAN-SNVBAGLBSA-N -1 0 305.342 -0.030 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)[C@@H]1CCNC1=O ZINC000960802093 810201961 /nfs/dbraw/zinc/20/19/61/810201961.db2.gz NSYUNQSEXCFNSR-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC000960878236 810210077 /nfs/dbraw/zinc/21/00/77/810210077.db2.gz VQWBKQAUVJHFCS-AEJSXWLSSA-N -1 0 322.369 -0.946 20 0 DBADRM COc1nc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)co1 ZINC000961360161 810267075 /nfs/dbraw/zinc/26/70/75/810267075.db2.gz ARSUUXKQSVWCES-MTBHXBHISA-N -1 0 320.309 -0.633 20 0 DBADRM CCc1nocc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000961727086 810354198 /nfs/dbraw/zinc/35/41/98/810354198.db2.gz WTMXFUUTSCKOEY-JDICNCQASA-N -1 0 318.337 -0.079 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@]3(C2)CCCN(CC(N)=O)C3)c1[O-] ZINC001040165381 815364573 /nfs/dbraw/zinc/36/45/73/815364573.db2.gz LEFPWCVENUGLNS-HNNXBMFYSA-N -1 0 321.381 -0.163 20 0 DBADRM Cc1nc(C)c(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)[nH]1 ZINC000961801935 810377423 /nfs/dbraw/zinc/37/74/23/810377423.db2.gz GWAMHDPPLLSMMV-GDGBQDQQSA-N -1 0 317.353 -0.290 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC3(C)C)[C@@H](O)C2)c1[O-] ZINC000962333145 810509858 /nfs/dbraw/zinc/50/98/58/810509858.db2.gz ALHWYZYWFWWGFR-AEJSXWLSSA-N -1 0 322.365 -0.229 20 0 DBADRM CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)c1cnc([O-])n(C)c1=O ZINC000962513716 810542193 /nfs/dbraw/zinc/54/21/93/810542193.db2.gz OGCGNEBCEFCWNZ-VXGBXAGGSA-N -1 0 320.349 -0.289 20 0 DBADRM CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000962519106 810543368 /nfs/dbraw/zinc/54/33/68/810543368.db2.gz OLMKSTVOKUJHPD-BDAKNGLRSA-N -1 0 321.337 -0.102 20 0 DBADRM O=C(C[C@@H]1CCCOC1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000962612288 810562888 /nfs/dbraw/zinc/56/28/88/810562888.db2.gz BBRYOIFEBKUOOV-KZWBYHQPSA-N -1 0 321.381 -0.127 20 0 DBADRM CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnc([O-])n(C)c1=O ZINC000963446510 810628497 /nfs/dbraw/zinc/62/84/97/810628497.db2.gz XXXWPMAFKWMKPV-RYUDHWBXSA-N -1 0 320.349 -0.289 20 0 DBADRM CCC(=O)N1CCC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000963600132 810645923 /nfs/dbraw/zinc/64/59/23/810645923.db2.gz QPYWUBZZPQRMFW-DTWKUNHWSA-N -1 0 321.337 -0.244 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2COCCN2C(=O)C(F)F)c1[O-] ZINC000964158456 810715234 /nfs/dbraw/zinc/71/52/34/810715234.db2.gz YTKKPTMJHKJKIJ-ZETCQYMHSA-N -1 0 318.280 -0.354 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCCN2C(=O)CC(N)=O)c1[O-] ZINC000964449932 810777597 /nfs/dbraw/zinc/77/75/97/810777597.db2.gz BSJCSQKQIWAUES-SECBINFHSA-N -1 0 323.353 -0.590 20 0 DBADRM CCC(=O)N1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000965058122 810824572 /nfs/dbraw/zinc/82/45/72/810824572.db2.gz IXIBQBCICYCEIA-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM CCC(=O)N1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000965053651 810824952 /nfs/dbraw/zinc/82/49/52/810824952.db2.gz IDLDEKGPHUUXHB-MRVPVSSYSA-N -1 0 309.326 -0.196 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H]3C[C@H]3C)C2)c1[O-] ZINC001040497073 815405872 /nfs/dbraw/zinc/40/58/72/815405872.db2.gz DTRUEXLVJJLAJQ-FFTROKDMSA-N -1 0 322.365 -0.227 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ccnn1C ZINC000965526705 810899194 /nfs/dbraw/zinc/89/91/94/810899194.db2.gz OBSLNQVALFMVAJ-ZJUUUORDSA-N -1 0 319.369 -0.116 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cn(C)cn1 ZINC000965905150 810984313 /nfs/dbraw/zinc/98/43/13/810984313.db2.gz FZDMBNMSLSJCPU-ZJUUUORDSA-N -1 0 319.369 -0.116 20 0 DBADRM CNC(=O)CN1CC[C@H](C)[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000965915495 810987087 /nfs/dbraw/zinc/98/70/87/810987087.db2.gz CFYMIAKYLVRNJZ-WPRPVWTQSA-N -1 0 309.370 -0.390 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cn(C)nn1 ZINC000965986014 811000377 /nfs/dbraw/zinc/00/03/77/811000377.db2.gz VIXRAOAUVWOJKQ-DTWKUNHWSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ncn(C)n1 ZINC000965995579 811002127 /nfs/dbraw/zinc/00/21/27/811002127.db2.gz HAEHXQGMVGZBAG-DTWKUNHWSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ncc[nH]1 ZINC000965999337 811002937 /nfs/dbraw/zinc/00/29/37/811002937.db2.gz BCYCMMBYIQULKV-RKDXNWHRSA-N -1 0 305.342 -0.126 20 0 DBADRM C[C@@H]1CN(C(=O)C(F)F)C[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000966017940 811005551 /nfs/dbraw/zinc/00/55/51/811005551.db2.gz JGQIXKIRVDUCQU-UHNVWZDZSA-N -1 0 317.252 -0.875 20 0 DBADRM C[C@H]1CN(C(=O)CC2CC2)C[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000966043628 811007497 /nfs/dbraw/zinc/00/74/97/811007497.db2.gz NDJGVBPHYBTDRP-CBAPKCEASA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H]3C[C@@H]3C)C2)c1[O-] ZINC001040571432 815416152 /nfs/dbraw/zinc/41/61/52/815416152.db2.gz DTRUEXLVJJLAJQ-KPWYMIHSSA-N -1 0 322.365 -0.227 20 0 DBADRM C/C=C(/C)C(=O)N1C[C@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000966309069 811051221 /nfs/dbraw/zinc/05/12/21/811051221.db2.gz PNNMYEVPMXWLBJ-YXCTTXFESA-N -1 0 323.353 -0.381 20 0 DBADRM C[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000966490690 811084299 /nfs/dbraw/zinc/08/42/99/811084299.db2.gz NBENNURTKIIIHZ-SFYZADRCSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H]1CN(C(=O)C2(C)CC2)C[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000966490691 811084882 /nfs/dbraw/zinc/08/48/82/811084882.db2.gz NBENNURTKIIIHZ-YUMQZZPRSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C1CCC1 ZINC000966641579 811113185 /nfs/dbraw/zinc/11/31/85/811113185.db2.gz LAYSWTHIGVUKQZ-IONNQARKSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1NC(=O)C1CCC1 ZINC000966646970 811114569 /nfs/dbraw/zinc/11/45/69/811114569.db2.gz GEQMLCBHRKUDIQ-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1(C)C ZINC000966911327 811184397 /nfs/dbraw/zinc/18/43/97/811184397.db2.gz BCWYYBWDJVLABJ-MRVPVSSYSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C(C)(C)C1 ZINC000967096146 811197092 /nfs/dbraw/zinc/19/70/92/811197092.db2.gz UGVADKJXCIVIKQ-SECBINFHSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)N(C)C[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000967150098 811205592 /nfs/dbraw/zinc/20/55/92/811205592.db2.gz YIFPJOICNZKHFQ-SECBINFHSA-N -1 0 309.326 -0.387 20 0 DBADRM CC(=O)N1CCC[C@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000967605287 811267102 /nfs/dbraw/zinc/26/71/02/811267102.db2.gz WEANZUPHJLZSEX-VIFPVBQESA-N -1 0 309.326 -0.244 20 0 DBADRM C[C@H]1CCN(CCF)C[C@@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000967700093 811282416 /nfs/dbraw/zinc/28/24/16/811282416.db2.gz FUOBQORUQODKOJ-ONGXEEELSA-N -1 0 312.345 -0.104 20 0 DBADRM C[C@@H]1CCN(CCF)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000967700090 811282551 /nfs/dbraw/zinc/28/25/51/811282551.db2.gz FUOBQORUQODKOJ-MWLCHTKSSA-N -1 0 312.345 -0.104 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000967780496 811294950 /nfs/dbraw/zinc/29/49/50/811294950.db2.gz PQEZELHDOKDBLY-ZTVLKNOQSA-N -1 0 321.381 -0.271 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(C(=O)c2cn[nH]n2)C1 ZINC000967879666 811312996 /nfs/dbraw/zinc/31/29/96/811312996.db2.gz SWKMCWZKZURGJI-UHFFFAOYSA-N -1 0 319.325 -0.471 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ccncn1 ZINC000968435681 811407490 /nfs/dbraw/zinc/40/74/90/811407490.db2.gz FMQJVGQKSFDVEE-KOLCDFICSA-N -1 0 317.353 -0.059 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1C ZINC000968697525 811477957 /nfs/dbraw/zinc/47/79/57/811477957.db2.gz GOPYDWACIOWICK-VXNVDRBHSA-N -1 0 321.341 -0.158 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)c1[O-] ZINC000968704674 811480616 /nfs/dbraw/zinc/48/06/16/811480616.db2.gz QAVHBKMBTSAUTG-DTORHVGOSA-N -1 0 321.337 -0.885 20 0 DBADRM COc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)sn1 ZINC000968723013 811486522 /nfs/dbraw/zinc/48/65/22/811486522.db2.gz XTXAWAUVFNMXSI-SSDOTTSWSA-N -1 0 324.366 -0.020 20 0 DBADRM O=C(c1cn2c(n1)CCC2)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC000968725655 811487201 /nfs/dbraw/zinc/48/72/01/811487201.db2.gz YYVIPQPBYPELQK-SECBINFHSA-N -1 0 317.353 -0.343 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](NCc2ncccn2)C1 ZINC000969212036 811553539 /nfs/dbraw/zinc/55/35/39/811553539.db2.gz SXHBXKQCYXWSFV-MRVPVSSYSA-N -1 0 317.309 -0.923 20 0 DBADRM C[C@@H](NC(=O)c1cnn(C)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969276616 811557912 /nfs/dbraw/zinc/55/79/12/811557912.db2.gz LLLLXGDSWZFFPW-MRVPVSSYSA-N -1 0 305.342 -0.506 20 0 DBADRM CC(=O)N(C)C[C@@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000990567387 811704562 /nfs/dbraw/zinc/70/45/62/811704562.db2.gz WLHGTYJFDIJMLK-JTQLQIEISA-N -1 0 311.342 -0.451 20 0 DBADRM C[C@@H](C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000990673035 811740703 /nfs/dbraw/zinc/74/07/03/811740703.db2.gz CYNINAIEKDTJGG-ZCFIWIBFSA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@H](C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000990682516 811743303 /nfs/dbraw/zinc/74/33/03/811743303.db2.gz PAIONDKANGRQJQ-ZETCQYMHSA-N -1 0 309.326 -0.938 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@@]3(F)CCOC3)C2)c1[O-] ZINC000990852714 811789676 /nfs/dbraw/zinc/78/96/76/811789676.db2.gz CEAQKFMDYUWALK-CYBMUJFWSA-N -1 0 312.301 -0.507 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3n[nH]nc3C)C2)c1[O-] ZINC000990854875 811789814 /nfs/dbraw/zinc/78/98/14/811789814.db2.gz RHTIBUPORSZGCA-UHFFFAOYSA-N -1 0 305.298 -0.895 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@H]3CO[C@@H](C)C3)C2)c1[O-] ZINC000990861272 811791799 /nfs/dbraw/zinc/79/17/99/811791799.db2.gz TWOQGMHJVDEZFT-IONNQARKSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3ccc(C)nn3)C[C@H]2O)c1[O-] ZINC001040974521 815475549 /nfs/dbraw/zinc/47/55/49/815475549.db2.gz CCCHOPGVXQQHTP-NXEZZACHSA-N -1 0 318.337 -0.498 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@H]3C[C@]34CCOC4)C2)c1[O-] ZINC000990863190 811792447 /nfs/dbraw/zinc/79/24/47/811792447.db2.gz QDQQCHMYZFZFMA-BMIGLBTASA-N -1 0 320.349 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)Cc3ccon3)C2)c1[O-] ZINC000990863687 811792731 /nfs/dbraw/zinc/79/27/31/811792731.db2.gz GFHSCEIASREPEN-UHFFFAOYSA-N -1 0 305.294 -0.405 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3n[nH]cc3F)C2)c1[O-] ZINC000990863126 811792782 /nfs/dbraw/zinc/79/27/82/811792782.db2.gz PETPHJOEPNIMQG-UHFFFAOYSA-N -1 0 308.273 -0.460 20 0 DBADRM Cc1cn(C)nc1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990864028 811792973 /nfs/dbraw/zinc/79/29/73/811792973.db2.gz IKZSGEDFBAYMPH-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)CCc3nnc[nH]3)C2)c1[O-] ZINC000990863152 811793022 /nfs/dbraw/zinc/79/30/22/811793022.db2.gz CSBARLNRPQVCFS-UHFFFAOYSA-N -1 0 319.325 -0.885 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cnccn3)C2)c1[O-] ZINC000990863085 811793034 /nfs/dbraw/zinc/79/30/34/811793034.db2.gz BYQYCIUCUJKBNL-UHFFFAOYSA-N -1 0 302.294 -0.532 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3nccnc3N)C2)c1[O-] ZINC000990865978 811793788 /nfs/dbraw/zinc/79/37/88/811793788.db2.gz SCYSNLHYRTXECA-UHFFFAOYSA-N -1 0 317.309 -0.950 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cccc(=O)[nH]3)C2)c1[O-] ZINC000990864675 811794161 /nfs/dbraw/zinc/79/41/61/811794161.db2.gz MAXYBXUENMJWIL-UHFFFAOYSA-N -1 0 317.305 -0.221 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000990898321 811800786 /nfs/dbraw/zinc/80/07/86/811800786.db2.gz PQVZMSOVSBBLIS-MRVPVSSYSA-N -1 0 309.326 -0.938 20 0 DBADRM Cc1nc(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)co1 ZINC000990988534 811841921 /nfs/dbraw/zinc/84/19/21/811841921.db2.gz SDXUEULRAWKSLH-UHFFFAOYSA-N -1 0 305.294 -0.025 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@@H]1O ZINC000991159137 811916151 /nfs/dbraw/zinc/91/61/51/811916151.db2.gz WRYSBJUZJSMKHT-WPRPVWTQSA-N -1 0 320.305 -0.360 20 0 DBADRM CCC(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@@H]1C ZINC001004277243 811969168 /nfs/dbraw/zinc/96/91/68/811969168.db2.gz PECYFGBWTKZGPT-DTWKUNHWSA-N -1 0 311.342 -0.548 20 0 DBADRM CCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@H]1C ZINC001004271974 811969475 /nfs/dbraw/zinc/96/94/75/811969475.db2.gz HABVFERPFSLVPF-HTQZYQBOSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC[C@H]1C ZINC001004290563 811971542 /nfs/dbraw/zinc/97/15/42/811971542.db2.gz HFMYYWQBHBYKLA-KCJUWKMLSA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001005100217 812029268 /nfs/dbraw/zinc/02/92/68/812029268.db2.gz KCLFFNVBKSGPOD-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM CCC(=O)N1CC[C@@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001005116384 812030485 /nfs/dbraw/zinc/03/04/85/812030485.db2.gz OJGUVIFBWNOGMV-MWLCHTKSSA-N -1 0 322.365 -0.137 20 0 DBADRM CN(C(=O)[C@@H]1CCOC1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005159739 812039397 /nfs/dbraw/zinc/03/93/97/812039397.db2.gz QYCIUGQAQMEBNL-SNVBAGLBSA-N -1 0 309.370 -0.030 20 0 DBADRM C[C@H](NC(=O)C1CC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001005553896 812076353 /nfs/dbraw/zinc/07/63/53/812076353.db2.gz DQSDLBZFGWAJHE-ZETCQYMHSA-N -1 0 309.326 -0.938 20 0 DBADRM CN(C(=O)c1cnc([O-])n(C)c1=O)C1CCN(CCF)CC1 ZINC001005811536 812117496 /nfs/dbraw/zinc/11/74/96/812117496.db2.gz MHAVVDWQNOYZHL-UHFFFAOYSA-N -1 0 312.345 -0.008 20 0 DBADRM CN(C(=O)c1ccn(C)n1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001006406278 812201535 /nfs/dbraw/zinc/20/15/35/812201535.db2.gz UNQIMAYGNUOLHO-UHFFFAOYSA-N -1 0 319.369 -0.020 20 0 DBADRM CN(C(=O)Cn1ccnc1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001006472152 812209996 /nfs/dbraw/zinc/20/99/96/812209996.db2.gz GXCMUSHPTPONEQ-UHFFFAOYSA-N -1 0 319.369 -0.170 20 0 DBADRM Cc1c(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001006769853 812245521 /nfs/dbraw/zinc/24/55/21/812245521.db2.gz WNFYCKWXTKXEHM-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM CCC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001006787992 812246639 /nfs/dbraw/zinc/24/66/39/812246639.db2.gz ZVUQIWUOMSLUSJ-RTHLEPHNSA-N -1 0 321.337 -0.196 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001006841319 812250742 /nfs/dbraw/zinc/25/07/42/812250742.db2.gz BHCWNWMSQZTWKK-VIFPVBQESA-N -1 0 305.342 -0.064 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCNC(=O)C1 ZINC001007109307 812267821 /nfs/dbraw/zinc/26/78/21/812267821.db2.gz XJKHHNZVFLTCDL-UWVGGRQHSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3cnn(C)n3)C2)c1[O-] ZINC001007123377 812268624 /nfs/dbraw/zinc/26/86/24/812268624.db2.gz WCNBBKLRGBEQKL-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(Cc3nnnn3C)C2)c1[O-] ZINC001007123144 812268721 /nfs/dbraw/zinc/26/87/21/812268721.db2.gz UUXBUIPZQQWVOX-VIFPVBQESA-N -1 0 320.357 -0.658 20 0 DBADRM CNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001007132612 812269662 /nfs/dbraw/zinc/26/96/62/812269662.db2.gz ANXXTMMYESXSQN-ZJUUUORDSA-N -1 0 309.370 -0.248 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001007161469 812272290 /nfs/dbraw/zinc/27/22/90/812272290.db2.gz HSFYAASTLONPSB-NXEZZACHSA-N -1 0 320.357 -0.556 20 0 DBADRM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001007221170 812280403 /nfs/dbraw/zinc/28/04/03/812280403.db2.gz NXYHFOUNKOHWDJ-LLVKDONJSA-N -1 0 322.369 -0.931 20 0 DBADRM CN1C[C@H](C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001007453125 812311292 /nfs/dbraw/zinc/31/12/92/812311292.db2.gz QHSWUYICFZSMND-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CN1C[C@@H](C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001007453124 812311941 /nfs/dbraw/zinc/31/19/41/812311941.db2.gz QHSWUYICFZSMND-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCNC1=O ZINC001007535443 812323152 /nfs/dbraw/zinc/32/31/52/812323152.db2.gz PWALTEQSYZOLQI-UWVGGRQHSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCCNC1=O ZINC001007535444 812323200 /nfs/dbraw/zinc/32/32/00/812323200.db2.gz PWALTEQSYZOLQI-VHSXEESVSA-N -1 0 322.369 -0.883 20 0 DBADRM CO[C@H](C)C(=O)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041115797 815519950 /nfs/dbraw/zinc/51/99/50/815519950.db2.gz RKBAHBKFBABMPB-QMTHXVAHSA-N -1 0 309.370 -0.030 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC1(C)C ZINC001007753658 812354590 /nfs/dbraw/zinc/35/45/90/812354590.db2.gz QNYDOICWFGAEJD-SNVBAGLBSA-N -1 0 308.338 -0.527 20 0 DBADRM Cc1cncn1CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007943288 812370864 /nfs/dbraw/zinc/37/08/64/812370864.db2.gz ICLULPCNWYMBFL-NSHDSACASA-N -1 0 319.369 -0.204 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CN(C(=O)CC(N)=O)CC2(C)C)c1[O-] ZINC001008050645 812378880 /nfs/dbraw/zinc/37/88/80/812378880.db2.gz SWGROKQIBHZOFX-QMMMGPOBSA-N -1 0 323.353 -0.734 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1csnn1 ZINC001008098373 812382545 /nfs/dbraw/zinc/38/25/45/812382545.db2.gz VQFGTPAKTFVWAV-ZETCQYMHSA-N -1 0 309.355 -0.244 20 0 DBADRM Cc1cnn(C)c1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008230771 812403610 /nfs/dbraw/zinc/40/36/10/812403610.db2.gz RVDDZDZJYPGLPT-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@]1(F)CCOC1 ZINC001008302650 812410517 /nfs/dbraw/zinc/41/05/17/812410517.db2.gz IWVHQNQBGWLZCD-ZANVPECISA-N -1 0 313.333 -0.281 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008701438 812461848 /nfs/dbraw/zinc/46/18/48/812461848.db2.gz AKJWKZHOJQPPPR-NSHDSACASA-N -1 0 319.369 -0.204 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001008814855 812473371 /nfs/dbraw/zinc/47/33/71/812473371.db2.gz OBURJRGCWOCILB-VIFPVBQESA-N -1 0 305.342 -0.064 20 0 DBADRM O=C(C[C@H]1CCC(=O)N1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008855714 812479449 /nfs/dbraw/zinc/47/94/49/812479449.db2.gz POSQBQZXMLZJFH-NXEZZACHSA-N -1 0 322.369 -0.740 20 0 DBADRM O=C(Cn1ccnc1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001009708896 812578193 /nfs/dbraw/zinc/57/81/93/812578193.db2.gz OULRFWMDSGKXMI-JTQLQIEISA-N -1 0 305.342 -0.512 20 0 DBADRM CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC001009765988 812588792 /nfs/dbraw/zinc/58/87/92/812588792.db2.gz KAQJCAZVEROQNC-OUAUKWLOSA-N -1 0 323.353 -0.548 20 0 DBADRM CCCC(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001009886830 812600844 /nfs/dbraw/zinc/60/08/44/812600844.db2.gz HDSBPXABERIFGP-UHFFFAOYSA-N -1 0 308.338 -0.430 20 0 DBADRM CC(=O)N1C[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC001009910556 812602487 /nfs/dbraw/zinc/60/24/87/812602487.db2.gz RMNAEAOAFYRXHT-WCBMZHEXSA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001010044548 812613621 /nfs/dbraw/zinc/61/36/21/812613621.db2.gz CSEOPNVICKREAT-JGVFFNPUSA-N -1 0 307.310 -0.777 20 0 DBADRM Cc1c(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001010218699 812638864 /nfs/dbraw/zinc/63/88/64/812638864.db2.gz GRPMOYMPRCUDGC-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)[C@H]3COCCO3)CC2)c1[O-] ZINC001010410553 812686010 /nfs/dbraw/zinc/68/60/10/812686010.db2.gz GGNFMAGWOAPKMK-SNVBAGLBSA-N -1 0 324.337 -0.876 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc[nH]c(=O)c1 ZINC001010498027 812707684 /nfs/dbraw/zinc/70/76/84/812707684.db2.gz QMGOSEZQLIXPQF-SECBINFHSA-N -1 0 304.310 -0.385 20 0 DBADRM Cc1cc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n[nH]1 ZINC001010533621 812713368 /nfs/dbraw/zinc/71/33/68/812713368.db2.gz GKXYRPQDUPVQBX-SECBINFHSA-N -1 0 305.342 -0.525 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN([C@@H](C)C(=O)NC3CC3)C2)c1[O-] ZINC001010545067 812715916 /nfs/dbraw/zinc/71/59/16/812715916.db2.gz JRMPCRQFRXUFQC-GXSJLCMTSA-N -1 0 321.381 -0.105 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN([C@@H](C)C(=O)NC3CC3)C2)c1[O-] ZINC001010545120 812715980 /nfs/dbraw/zinc/71/59/80/812715980.db2.gz JRMPCRQFRXUFQC-ONGXEEELSA-N -1 0 321.381 -0.105 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN([C@@H]3CCC(=O)NC3=O)C2)c1[O-] ZINC001010628235 812728223 /nfs/dbraw/zinc/72/82/23/812728223.db2.gz KISVPMZHELMULR-DTWKUNHWSA-N -1 0 321.337 -0.967 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ncccc1O ZINC001010730750 812756018 /nfs/dbraw/zinc/75/60/18/812756018.db2.gz HIVFFEFLQOVEMR-MRVPVSSYSA-N -1 0 304.310 -0.385 20 0 DBADRM O=C(CC1OCCCO1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010750037 812759703 /nfs/dbraw/zinc/75/97/03/812759703.db2.gz USXAOMONVPIILG-VIFPVBQESA-N -1 0 311.342 -0.646 20 0 DBADRM Cc1ccnc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001010813950 812776919 /nfs/dbraw/zinc/77/69/19/812776919.db2.gz DVSMBYFJAWZIGC-VIFPVBQESA-N -1 0 303.326 -0.387 20 0 DBADRM O=C(/C=C\C1CC1)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001010883406 812798203 /nfs/dbraw/zinc/79/82/03/812798203.db2.gz IKHBAPVNDOGYAR-ARJAWSKDSA-N -1 0 319.321 -0.467 20 0 DBADRM O=C(C1=CCCC1)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001010988809 812807113 /nfs/dbraw/zinc/80/71/13/812807113.db2.gz FKOVHTJTZRYHCF-UHFFFAOYSA-N -1 0 319.321 -0.323 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H]1C ZINC001011341484 812882458 /nfs/dbraw/zinc/88/24/58/812882458.db2.gz OEGKXZPUCIGLNA-PSASIEDQSA-N -1 0 308.338 -0.385 20 0 DBADRM C[C@@H]1[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C1CC1 ZINC001011355261 812883733 /nfs/dbraw/zinc/88/37/33/812883733.db2.gz OTOQHCSYEBTLPB-HTRCEHHLSA-N -1 0 307.310 -0.588 20 0 DBADRM C[C@@H]1[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C(F)F ZINC001011349925 812883864 /nfs/dbraw/zinc/88/38/64/812883864.db2.gz UGPJFCVQUVJMBS-RFZPGFLSSA-N -1 0 317.252 -0.733 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C1CC1 ZINC001011356354 812884117 /nfs/dbraw/zinc/88/41/17/812884117.db2.gz YNIJMMJBIYATIM-IONNQARKSA-N -1 0 309.326 -0.795 20 0 DBADRM C[C@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C(F)F ZINC001011346705 812884296 /nfs/dbraw/zinc/88/42/96/812884296.db2.gz JHFSOESRLGYXKT-WDSKDSINSA-N -1 0 319.268 -0.940 20 0 DBADRM C[C@@H]1[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C1CCC1 ZINC001011364412 812885037 /nfs/dbraw/zinc/88/50/37/812885037.db2.gz MHUBNJGWAWKKIG-PSASIEDQSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)CC1CC1 ZINC001011375056 812885755 /nfs/dbraw/zinc/88/57/55/812885755.db2.gz ROWQPEVELIKLCC-WPRPVWTQSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)CC1CC1 ZINC001011376025 812886267 /nfs/dbraw/zinc/88/62/67/812886267.db2.gz XNJMGMHLEXKIFF-CBAPKCEASA-N -1 0 321.337 -0.198 20 0 DBADRM CCCC(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001011399897 812889303 /nfs/dbraw/zinc/88/93/03/812889303.db2.gz DBRUFKWRUJACJA-HTQZYQBOSA-N -1 0 309.326 -0.198 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001011628314 812921851 /nfs/dbraw/zinc/92/18/51/812921851.db2.gz MNKZDGLMJLKACW-LSRCEVBISA-N -1 0 321.337 -0.032 20 0 DBADRM CC1(C(=O)N2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)CCC1 ZINC001011737593 812938913 /nfs/dbraw/zinc/93/89/13/812938913.db2.gz WJKCUOHOCJXDTH-UHFFFAOYSA-N -1 0 321.337 -0.243 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)[C@@H]1C ZINC001011759608 812942933 /nfs/dbraw/zinc/94/29/33/812942933.db2.gz CNMUHDDQNGKJSB-LDYMZIIASA-N -1 0 303.322 -0.238 20 0 DBADRM C[C@@H]1[C@H](NC(=O)CC2CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001011946041 812973645 /nfs/dbraw/zinc/97/36/45/812973645.db2.gz WXNHMNKZEUCOGU-PSASIEDQSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H]1C ZINC001011959324 812977439 /nfs/dbraw/zinc/97/74/39/812977439.db2.gz IGBONPACRJQYIY-LDYMZIIASA-N -1 0 318.337 -0.803 20 0 DBADRM CCC(=O)N1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001012099416 813011641 /nfs/dbraw/zinc/01/16/41/813011641.db2.gz FMYADYMUEUQAJA-RKDXNWHRSA-N -1 0 308.338 -0.385 20 0 DBADRM CCC(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001012099410 813011686 /nfs/dbraw/zinc/01/16/86/813011686.db2.gz FMYADYMUEUQAJA-BDAKNGLRSA-N -1 0 308.338 -0.385 20 0 DBADRM CCC(=O)N1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC001012099412 813011771 /nfs/dbraw/zinc/01/17/71/813011771.db2.gz FMYADYMUEUQAJA-DTWKUNHWSA-N -1 0 308.338 -0.385 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)C(F)F ZINC001012121613 813015337 /nfs/dbraw/zinc/01/53/37/813015337.db2.gz NPSIINFOBANXMV-RITPCOANSA-N -1 0 319.268 -0.940 20 0 DBADRM CC(C)=CC(=O)N1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001012232469 813025894 /nfs/dbraw/zinc/02/58/94/813025894.db2.gz AMAUBSGBOADOBF-NXEZZACHSA-N -1 0 323.353 -0.239 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C2(C)CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013413681 813138199 /nfs/dbraw/zinc/13/81/99/813138199.db2.gz PHFQIQCIFYOFKF-JGVFFNPUSA-N -1 0 321.337 -0.198 20 0 DBADRM CC(C)C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001013546842 813148469 /nfs/dbraw/zinc/14/84/69/813148469.db2.gz CFKDZLLASZESBX-ZJUUUORDSA-N -1 0 322.365 -0.139 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C2CC2)CN1C(=O)c1cnc([O-])n(C)c1=O ZINC001013546883 813148553 /nfs/dbraw/zinc/14/85/53/813148553.db2.gz CSVZEAVGNWBUHN-WPRPVWTQSA-N -1 0 320.349 -0.385 20 0 DBADRM CC(=O)N[C@]12CCC[C@H]1N(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC001014116099 813211112 /nfs/dbraw/zinc/21/11/12/813211112.db2.gz WAILPLOKNSBRJS-RNCFNFMXSA-N -1 0 309.326 -0.651 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]23CCC[C@H]2N(C(=O)C(N)=O)CC3)c1[O-] ZINC001014245392 813215452 /nfs/dbraw/zinc/21/54/52/813215452.db2.gz LHOJWPBOIJXKIW-XLKFXECMSA-N -1 0 321.337 -0.838 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]23CCC[C@H]2N(C(=O)C(N)=O)CC3)c1[O-] ZINC001014245387 813215772 /nfs/dbraw/zinc/21/57/72/813215772.db2.gz LHOJWPBOIJXKIW-CLAHSXSESA-N -1 0 321.337 -0.838 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnn1C ZINC001014458027 813250561 /nfs/dbraw/zinc/25/05/61/813250561.db2.gz HZQAEFSIHJYURQ-VHSXEESVSA-N -1 0 319.369 -0.262 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001014512384 813256976 /nfs/dbraw/zinc/25/69/76/813256976.db2.gz DQZKGGLCYJWLLP-HBNTYKKESA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)CC(N)=O)[C@H]2C)c1[O-] ZINC001014880409 813330589 /nfs/dbraw/zinc/33/05/89/813330589.db2.gz WWZUYNWMCUAYRH-DTWKUNHWSA-N -1 0 323.353 -0.592 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001014968690 813343333 /nfs/dbraw/zinc/34/33/33/813343333.db2.gz PGGZCGQZUVUYTH-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM Cn1ccc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cc1=O ZINC001014974391 813344355 /nfs/dbraw/zinc/34/43/55/813344355.db2.gz ILXFXCRTWBNGRM-SNVBAGLBSA-N -1 0 318.337 -0.787 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn(CCF)c1 ZINC001015040374 813354260 /nfs/dbraw/zinc/35/42/60/813354260.db2.gz ZADDKNGVUUWJJC-JTQLQIEISA-N -1 0 323.332 -0.319 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn(CCF)c1 ZINC001015040379 813355007 /nfs/dbraw/zinc/35/50/07/813355007.db2.gz ZADDKNGVUUWJJC-SNVBAGLBSA-N -1 0 323.332 -0.319 20 0 DBADRM Cn1nccc1CN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015110018 813370426 /nfs/dbraw/zinc/37/04/26/813370426.db2.gz PFBNJKYZANFSLP-MRVPVSSYSA-N -1 0 319.325 -0.979 20 0 DBADRM Cn1ccnc1CN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015109766 813370459 /nfs/dbraw/zinc/37/04/59/813370459.db2.gz NABVEQPZYJSPOD-QMMMGPOBSA-N -1 0 319.325 -0.979 20 0 DBADRM Cc1cc(CN2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)no1 ZINC001015110522 813371251 /nfs/dbraw/zinc/37/12/51/813371251.db2.gz UOCZXDDXVQDSMP-QMMMGPOBSA-N -1 0 320.309 -0.416 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2cnsn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015110773 813371483 /nfs/dbraw/zinc/37/14/83/813371483.db2.gz WGRMUXDDRSTHDL-ZCFIWIBFSA-N -1 0 323.338 -0.861 20 0 DBADRM CCC(=O)N1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001015114857 813371784 /nfs/dbraw/zinc/37/17/84/813371784.db2.gz RATRAERTXYSMKO-BDAKNGLRSA-N -1 0 311.342 -0.405 20 0 DBADRM C[C@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCCN1C(=O)C1CC1 ZINC001015113940 813372307 /nfs/dbraw/zinc/37/23/07/813372307.db2.gz NVZWTSVGAOMYSJ-WPRPVWTQSA-N -1 0 323.353 -0.405 20 0 DBADRM CCC(=O)N1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001015114859 813372403 /nfs/dbraw/zinc/37/24/03/813372403.db2.gz RATRAERTXYSMKO-IUCAKERBSA-N -1 0 311.342 -0.405 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2cnns2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015119367 813372408 /nfs/dbraw/zinc/37/24/08/813372408.db2.gz LMGDRKDFNNLYOP-ZCFIWIBFSA-N -1 0 323.338 -0.861 20 0 DBADRM CCC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015264652 813400422 /nfs/dbraw/zinc/40/04/22/813400422.db2.gz GCDAIFXJSGKSKM-HTQZYQBOSA-N -1 0 309.326 -0.293 20 0 DBADRM Cc1cncn1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015296161 813403637 /nfs/dbraw/zinc/40/36/37/813403637.db2.gz VOPPIIBOKPFGAK-JTQLQIEISA-N -1 0 305.342 -0.594 20 0 DBADRM CCn1ccc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001015791795 813527190 /nfs/dbraw/zinc/52/71/90/813527190.db2.gz MTGOCKDLUJYIDR-VIFPVBQESA-N -1 0 305.342 -0.269 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CCN(CCF)C1 ZINC001015864694 813543077 /nfs/dbraw/zinc/54/30/77/813543077.db2.gz GKGFMZSCCZSVPA-SECBINFHSA-N -1 0 308.317 -0.769 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001015961747 813574061 /nfs/dbraw/zinc/57/40/61/813574061.db2.gz BCWROBKCXUQWIZ-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@H](C(N)=O)N1CC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001015988901 813582289 /nfs/dbraw/zinc/58/22/89/813582289.db2.gz IAUIJYGKFISCEW-HTQZYQBOSA-N -1 0 319.321 -0.394 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(Cc2cscn2)C1 ZINC001016110026 813599436 /nfs/dbraw/zinc/59/94/36/813599436.db2.gz HVGJUVLWPDXZKY-QMMMGPOBSA-N -1 0 324.366 -0.464 20 0 DBADRM CC[C@H](F)CN1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016110208 813600136 /nfs/dbraw/zinc/60/01/36/813600136.db2.gz JLVOYGHWMVXTDY-DTWKUNHWSA-N -1 0 301.322 -0.372 20 0 DBADRM COc1c(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001016118162 813601706 /nfs/dbraw/zinc/60/17/06/813601706.db2.gz AQBIYUIPWYINEW-MRVPVSSYSA-N -1 0 321.341 -0.743 20 0 DBADRM CCC(=O)N(C)C1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001016135587 813606430 /nfs/dbraw/zinc/60/64/30/813606430.db2.gz RJSZIEZLJYMJQR-UHFFFAOYSA-N -1 0 308.338 -0.385 20 0 DBADRM Cc1nccc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001016284660 813641179 /nfs/dbraw/zinc/64/11/79/813641179.db2.gz SQAKPXVITRTSJL-VIFPVBQESA-N -1 0 303.326 -0.387 20 0 DBADRM CCc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001016413004 813665033 /nfs/dbraw/zinc/66/50/33/813665033.db2.gz CAWFWZVYXRHZCL-SECBINFHSA-N -1 0 319.369 -0.190 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC(NC(=O)C(F)F)C1 ZINC001016788652 813720477 /nfs/dbraw/zinc/72/04/77/813720477.db2.gz CBDZVHLXFASELZ-UHFFFAOYSA-N -1 0 317.252 -0.733 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC(NC(=O)C2(C)CC2)C1 ZINC001016819194 813724965 /nfs/dbraw/zinc/72/49/65/813724965.db2.gz CKKJBKGWMGBJGR-UHFFFAOYSA-N -1 0 323.353 -0.405 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC(NC(=O)CC2CC2)C1 ZINC001016816661 813725102 /nfs/dbraw/zinc/72/51/02/813725102.db2.gz UFQWOXAAWSUOJN-UHFFFAOYSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(=O)NC1(C2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)CC1 ZINC001017115951 813768764 /nfs/dbraw/zinc/76/87/64/813768764.db2.gz LFHBZUHFDZYSQK-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CCC(=O)N1CC=C(CNC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001017619421 813814500 /nfs/dbraw/zinc/81/45/00/813814500.db2.gz ZFLOBTDQCNYATF-UHFFFAOYSA-N -1 0 320.349 -0.216 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)C2CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001017888280 813847151 /nfs/dbraw/zinc/84/71/51/813847151.db2.gz AKMCPIBDGJMRLS-SCZZXKLOSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(=O)N[C@H]1CC[C@@H](C)N(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001017881033 813847789 /nfs/dbraw/zinc/84/77/89/813847789.db2.gz XWMQBXWJBKDHLN-SCZZXKLOSA-N -1 0 323.353 -0.269 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)C(N)=O)C2)c1[O-] ZINC001018088209 813862280 /nfs/dbraw/zinc/86/22/80/813862280.db2.gz NDYJPNXMFRLZBE-HTRCEHHLSA-N -1 0 309.326 -0.982 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)c2cn[nH]n2)CN1C(=O)c1cnon1 ZINC001018252725 813882167 /nfs/dbraw/zinc/88/21/67/813882167.db2.gz YXTYGYQPRRPJNC-SFYZADRCSA-N -1 0 305.298 -0.389 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)C1CC1 ZINC001018309011 813889249 /nfs/dbraw/zinc/88/92/49/813889249.db2.gz ZUGSCVAMVBBLND-SCZZXKLOSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(=O)N1CC[C@@H](C)[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001018451306 813914057 /nfs/dbraw/zinc/91/40/57/813914057.db2.gz SSKVOOCFHGANLI-VXNVDRBHSA-N -1 0 309.326 -0.483 20 0 DBADRM CC(C)C(=O)N1CC2(C1)CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001018795542 813988281 /nfs/dbraw/zinc/98/82/81/813988281.db2.gz SYRXQXPAHDVFKM-UHFFFAOYSA-N -1 0 323.353 -0.594 20 0 DBADRM CC(C)C(=O)N1CC2(C1)CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001018794333 813988632 /nfs/dbraw/zinc/98/86/32/813988632.db2.gz AVNNIOUVXFCIJH-UHFFFAOYSA-N -1 0 321.337 -0.387 20 0 DBADRM CCC(=O)N1CCC2(CN(C(=O)c3cnc([O-])n(C)c3=O)C2)C1 ZINC001019247598 814104828 /nfs/dbraw/zinc/10/48/28/814104828.db2.gz YJDLTAWHZSPPAJ-UHFFFAOYSA-N -1 0 320.349 -0.430 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](NCc2nccs2)C1 ZINC001019709625 814222965 /nfs/dbraw/zinc/22/29/65/814222965.db2.gz IOQUVNZVKRPHCW-QMMMGPOBSA-N -1 0 324.366 -0.464 20 0 DBADRM CC(=O)N1CC[C@H]2OCCN(C(=O)c3n[nH]c(C)c3[O-])[C@H]2C1 ZINC001019814513 814239316 /nfs/dbraw/zinc/23/93/16/814239316.db2.gz SFCJFLGMXXKZIS-WDEREUQCSA-N -1 0 308.338 -0.114 20 0 DBADRM CN(C(=O)[C@@H]1CCC(=O)NC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033222356 814449578 /nfs/dbraw/zinc/44/95/78/814449578.db2.gz PTHAPBAZZBAMDX-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1nnccc1C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033231489 814452031 /nfs/dbraw/zinc/45/20/31/814452031.db2.gz CSTIZUZKIGGBQP-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM Cc1cncn1CC(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033264800 814460506 /nfs/dbraw/zinc/46/05/06/814460506.db2.gz CXUYQUZUBJZTKB-NSHDSACASA-N -1 0 319.369 -0.252 20 0 DBADRM CN(C(=O)[C@@]1(C)CNC(=O)C1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033289796 814465608 /nfs/dbraw/zinc/46/56/08/814465608.db2.gz LXOFQYYTLYXUOZ-LKFCYVNXSA-N -1 0 322.369 -0.931 20 0 DBADRM COc1nc(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001033304522 814468974 /nfs/dbraw/zinc/46/89/74/814468974.db2.gz PNGDSEKZTFJPDO-MRVPVSSYSA-N -1 0 322.325 -0.147 20 0 DBADRM CN(C(=O)Cc1cnoc1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033352518 814485824 /nfs/dbraw/zinc/48/58/24/814485824.db2.gz HQYHYTTUDKUCAI-SNVBAGLBSA-N -1 0 306.326 -0.226 20 0 DBADRM CN(C(=O)c1n[nH]cc1F)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033399767 814502064 /nfs/dbraw/zinc/50/20/64/814502064.db2.gz KOCZAEVMHXZAET-SSDOTTSWSA-N -1 0 309.305 -0.281 20 0 DBADRM CN(C(=O)C[C@@H]1CCC(=O)N1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033490870 814520610 /nfs/dbraw/zinc/52/06/10/814520610.db2.gz MQFDRSDPVDIRQD-VHSXEESVSA-N -1 0 322.369 -0.788 20 0 DBADRM Cc1nccc(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001033671966 814569950 /nfs/dbraw/zinc/56/99/50/814569950.db2.gz RQZOEUVMSMLFHT-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM CCN(C(=O)c1cn[nH]c1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033759014 814581504 /nfs/dbraw/zinc/58/15/04/814581504.db2.gz LNUDYHKFWRQTQF-SNVBAGLBSA-N -1 0 305.342 -0.030 20 0 DBADRM CCN(C(=O)c1ccnn1C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033770615 814584276 /nfs/dbraw/zinc/58/42/76/814584276.db2.gz ZHYAMURBMZKKOB-JTQLQIEISA-N -1 0 319.369 -0.020 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])[C@@H]1CCN([C@H](C)C(N)=O)C1 ZINC001033795897 814587194 /nfs/dbraw/zinc/58/71/94/814587194.db2.gz PCANGGMMRUKIAY-NXEZZACHSA-N -1 0 309.370 -0.166 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])[C@@H]1CCN([C@H]2CCNC2=O)C1 ZINC001033807852 814588214 /nfs/dbraw/zinc/58/82/14/814588214.db2.gz ZNEXOVKIBHXBMR-MNOVXSKESA-N -1 0 321.381 -0.151 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])[C@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001033807854 814588352 /nfs/dbraw/zinc/58/83/52/814588352.db2.gz ZNEXOVKIBHXBMR-WDEREUQCSA-N -1 0 321.381 -0.151 20 0 DBADRM CCN(C(=O)c1cn(C)nn1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033824998 814592555 /nfs/dbraw/zinc/59/25/55/814592555.db2.gz VQLPRMXCUZMHCZ-SECBINFHSA-N -1 0 320.357 -0.625 20 0 DBADRM CCN(C(=O)[C@]12C[C@H]1COC2)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033834249 814593833 /nfs/dbraw/zinc/59/38/33/814593833.db2.gz DXDHKZZZQOKMBF-PGUXBMHVSA-N -1 0 321.381 -0.030 20 0 DBADRM CCN(C(=O)c1cn[nH]n1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033890027 814601344 /nfs/dbraw/zinc/60/13/44/814601344.db2.gz AYXYQPQLSANMJG-MRVPVSSYSA-N -1 0 306.330 -0.635 20 0 DBADRM CCN(C(=O)c1cncn1C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033885563 814601440 /nfs/dbraw/zinc/60/14/40/814601440.db2.gz UMOBCVPNUZLUHF-JTQLQIEISA-N -1 0 319.369 -0.020 20 0 DBADRM CCN(C(=O)c1cn[nH]n1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033890028 814601694 /nfs/dbraw/zinc/60/16/94/814601694.db2.gz AYXYQPQLSANMJG-QMMMGPOBSA-N -1 0 306.330 -0.635 20 0 DBADRM CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033955334 814615932 /nfs/dbraw/zinc/61/59/32/814615932.db2.gz YITZFGNQYOKIIS-AEJSXWLSSA-N -1 0 322.369 -0.946 20 0 DBADRM CCN(C(=O)c1cnn(C)n1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033986912 814618775 /nfs/dbraw/zinc/61/87/75/814618775.db2.gz BOGDHOXZLVZYPW-SECBINFHSA-N -1 0 320.357 -0.625 20 0 DBADRM CCN(C(=O)c1nc[nH]n1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033995118 814621054 /nfs/dbraw/zinc/62/10/54/814621054.db2.gz WYBNSRJTZZBFGT-MRVPVSSYSA-N -1 0 306.330 -0.635 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCCN([C@@H]3CCNC3=O)C2)c1[O-] ZINC001034168080 814638180 /nfs/dbraw/zinc/63/81/80/814638180.db2.gz GVPCYYCNBOHOPU-GHMZBOCLSA-N -1 0 321.381 -0.103 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCCN([C@H](C)C(N)=O)C2)c1[O-] ZINC001034165429 814638598 /nfs/dbraw/zinc/63/85/98/814638598.db2.gz NNZJBHYPPRLNEF-NXEZZACHSA-N -1 0 309.370 -0.118 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1cccnc1 ZINC001035264314 814872179 /nfs/dbraw/zinc/87/21/79/814872179.db2.gz FVJLZXQYJGIZAF-NSHDSACASA-N -1 0 318.337 -0.464 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@@H]1CCCO1 ZINC001035280911 814875683 /nfs/dbraw/zinc/87/56/83/814875683.db2.gz CJAATSBPQFCZMC-UWVGGRQHSA-N -1 0 311.342 -0.994 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1cocn1 ZINC001035308670 814886886 /nfs/dbraw/zinc/88/68/86/814886886.db2.gz FMZADAXEHZPYJT-QMMMGPOBSA-N -1 0 308.298 -0.871 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(Cc3cnon3)CCO2)c1[O-] ZINC001035344791 814899801 /nfs/dbraw/zinc/89/98/01/814899801.db2.gz XGBXATQFRKVQHF-JTQLQIEISA-N -1 0 322.325 -0.562 20 0 DBADRM Cc1cc[nH]c1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035353158 814902880 /nfs/dbraw/zinc/90/28/80/814902880.db2.gz BCFCTUVNQHDUNL-SNVBAGLBSA-N -1 0 320.353 -0.222 20 0 DBADRM CCCCC(=O)NCC1(O)CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001041512277 815635420 /nfs/dbraw/zinc/63/54/20/815635420.db2.gz YNAFJMWGTRCALD-UHFFFAOYSA-N -1 0 310.354 -0.083 20 0 DBADRM CNC(=O)CN1CC[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21 ZINC001042015643 815798083 /nfs/dbraw/zinc/79/80/83/815798083.db2.gz JUVADVVRJNXMJO-MNOVXSKESA-N -1 0 321.381 -0.294 20 0 DBADRM CNC(=O)CN1CC[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001042015647 815798234 /nfs/dbraw/zinc/79/82/34/815798234.db2.gz JUVADVVRJNXMJO-WDEREUQCSA-N -1 0 321.381 -0.294 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)CC3CCC3)C2)c1[O-] ZINC001042335565 815890605 /nfs/dbraw/zinc/89/06/05/815890605.db2.gz ZKFFDLOSOLHDGH-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM Cc1nnsc1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042467818 815921977 /nfs/dbraw/zinc/92/19/77/815921977.db2.gz PCXGKKOVOMJPCS-UHFFFAOYSA-N -1 0 309.355 -0.373 20 0 DBADRM Cc1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001042517240 815934284 /nfs/dbraw/zinc/93/42/84/815934284.db2.gz JHNSPJYPGBSXGR-UHFFFAOYSA-N -1 0 305.342 -0.491 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)C(C)(C)F)C2)c1[O-] ZINC001042571832 815955404 /nfs/dbraw/zinc/95/54/04/815955404.db2.gz AKDXTCOCHMVUHN-UHFFFAOYSA-N -1 0 314.317 -0.525 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)/C=C\C3CC3)C2)c1[O-] ZINC001042572364 815955990 /nfs/dbraw/zinc/95/59/90/815955990.db2.gz JZTGWQGCLOOYKW-PLNGDYQASA-N -1 0 320.349 -0.307 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)[C@H]3C[C@@H]3C)C2)c1[O-] ZINC001042572264 815956702 /nfs/dbraw/zinc/95/67/02/815956702.db2.gz ILQHQAHSJHCVCO-CBAPKCEASA-N -1 0 308.338 -0.617 20 0 DBADRM CCC1(C(=O)N2CC(O)(CNC(=O)c3[nH]nc(C)c3[O-])C2)CC1 ZINC001042575501 815957376 /nfs/dbraw/zinc/95/73/76/815957376.db2.gz CXGWBRDCSMAUMT-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM CN(C(=O)c1cccc(=O)[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042579454 815959156 /nfs/dbraw/zinc/95/91/56/815959156.db2.gz RWQIKOHDQQXUHY-UHFFFAOYSA-N -1 0 304.310 -0.433 20 0 DBADRM CCn1ccc(CC(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001042751667 816017037 /nfs/dbraw/zinc/01/70/37/816017037.db2.gz NGTJNEWPYRYXJB-UHFFFAOYSA-N -1 0 319.369 -0.388 20 0 DBADRM CCc1nn(C)cc1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043010419 816092289 /nfs/dbraw/zinc/09/22/89/816092289.db2.gz YEXRPYNYFWQZKV-UHFFFAOYSA-N -1 0 319.369 -0.237 20 0 DBADRM CO[C@@H]1CCC[C@@H]1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043143878 816127575 /nfs/dbraw/zinc/12/75/75/816127575.db2.gz PMESADFOXRXMQO-WDEREUQCSA-N -1 0 309.370 -0.032 20 0 DBADRM C[C@H]1CC[C@H](CN2CC(N(C)C(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC001043230867 816149764 /nfs/dbraw/zinc/14/97/64/816149764.db2.gz GUFAZXVMVWHYJB-WCBMZHEXSA-N -1 0 323.353 -0.394 20 0 DBADRM Cc1nc(CN2CC(N(C)C(=O)c3n[nH]c(=O)[n-]c3=O)C2)co1 ZINC001043230776 816149779 /nfs/dbraw/zinc/14/97/79/816149779.db2.gz BJMOFPBDGYLNSJ-UHFFFAOYSA-N -1 0 320.309 -0.464 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(Cc2cscn2)C1 ZINC001043232846 816150757 /nfs/dbraw/zinc/15/07/57/816150757.db2.gz YUFBQPUMOYSEII-UHFFFAOYSA-N -1 0 322.350 -0.304 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N(C)C2CN(CCO)C2)cc1=O ZINC001043243839 816151625 /nfs/dbraw/zinc/15/16/25/816151625.db2.gz VFGMZBACQDLKDH-UHFFFAOYSA-N -1 0 310.398 -0.490 20 0 DBADRM Cc1cc(C)n(CC(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001043279477 816155355 /nfs/dbraw/zinc/15/53/55/816155355.db2.gz KYXYNYFQYHPWPY-UHFFFAOYSA-N -1 0 319.369 -0.334 20 0 DBADRM CN(C(=O)c1cn(C)ccc1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043301520 816160294 /nfs/dbraw/zinc/16/02/94/816160294.db2.gz WHEFCHOLEOLZFI-UHFFFAOYSA-N -1 0 318.337 -0.835 20 0 DBADRM COc1nccc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001043307089 816160796 /nfs/dbraw/zinc/16/07/96/816160796.db2.gz PEKSBFJKLNWKFG-UHFFFAOYSA-N -1 0 319.325 -0.735 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043396477 816181625 /nfs/dbraw/zinc/18/16/25/816181625.db2.gz WSYLFQCBGAWGGO-OQEOFVATSA-N -1 0 319.365 -0.424 20 0 DBADRM C[C@@H]1OCC[C@@]1(C)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043457217 816193320 /nfs/dbraw/zinc/19/33/20/816193320.db2.gz UEGXDIOIGWZRJV-LKFCYVNXSA-N -1 0 309.370 -0.032 20 0 DBADRM C[C@H]1OCC[C@]1(C)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043457219 816193621 /nfs/dbraw/zinc/19/36/21/816193621.db2.gz UEGXDIOIGWZRJV-OTYXRUKQSA-N -1 0 309.370 -0.032 20 0 DBADRM COc1cccc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001044129464 816366400 /nfs/dbraw/zinc/36/64/00/816366400.db2.gz RBDYQVUGQBCZDY-UHFFFAOYSA-N -1 0 318.337 -0.130 20 0 DBADRM CN(C(=O)c1cnn2cc[nH]c12)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044231788 816388230 /nfs/dbraw/zinc/38/82/30/816388230.db2.gz MLYSQRMZODIGEP-UHFFFAOYSA-N -1 0 316.325 -0.558 20 0 DBADRM Cc1nccc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001044309123 816409340 /nfs/dbraw/zinc/40/93/40/816409340.db2.gz WGXXPXSDOWLVBV-UHFFFAOYSA-N -1 0 303.326 -0.435 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@H]1CNCc1cnon1 ZINC001045106098 816561953 /nfs/dbraw/zinc/56/19/53/816561953.db2.gz AKEQDWDOWFDZLN-QMMMGPOBSA-N -1 0 321.297 -0.940 20 0 DBADRM CC1(NC(=O)[C@@H]2COC(=O)N2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001045425907 816630685 /nfs/dbraw/zinc/63/06/85/816630685.db2.gz UVTVXBDVPGAADG-QMMMGPOBSA-N -1 0 324.341 -0.911 20 0 DBADRM CC1(NC(=O)c2cnon2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001045592532 816663298 /nfs/dbraw/zinc/66/32/98/816663298.db2.gz WMWMFSVYPGBLON-UHFFFAOYSA-N -1 0 307.314 -0.322 20 0 DBADRM O=C(c1cn[nH]n1)N1CC[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001045807709 816695385 /nfs/dbraw/zinc/69/53/85/816695385.db2.gz IWKFXKJRIJHEOZ-BDAKNGLRSA-N -1 0 318.341 -0.493 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN(Cc3cnn(C)n3)C2)c1[O-] ZINC001046239564 816789804 /nfs/dbraw/zinc/78/98/04/816789804.db2.gz LUYJHVCLYRQNLO-CQSZACIVSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN(Cc3cn(C)nn3)C2)c1[O-] ZINC001046246646 816792807 /nfs/dbraw/zinc/79/28/07/816792807.db2.gz LYKACLWYHHSKCT-CQSZACIVSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@]1(NC(=O)c2cncnc2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046260847 816796446 /nfs/dbraw/zinc/79/64/46/816796446.db2.gz RJZCMWYCVHULAV-ZDUSSCGKSA-N -1 0 303.326 -0.305 20 0 DBADRM Cn1ncc(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)c1N ZINC001046259242 816796824 /nfs/dbraw/zinc/79/68/24/816796824.db2.gz HMORZVAXPFEUEA-CYBMUJFWSA-N -1 0 320.357 -0.780 20 0 DBADRM CCn1ncc(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001046299002 816812497 /nfs/dbraw/zinc/81/24/97/816812497.db2.gz YSXPGAFEFXADHM-CYBMUJFWSA-N -1 0 320.357 -0.484 20 0 DBADRM C[C@]1(NC(=O)[C@@H]2CCCNC2=O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046395022 816836549 /nfs/dbraw/zinc/83/65/49/816836549.db2.gz ZLUHZKVVBNYRAH-OTYXRUKQSA-N -1 0 322.369 -0.883 20 0 DBADRM COc1nc(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001046518029 816867576 /nfs/dbraw/zinc/86/75/76/816867576.db2.gz HAIRCGAUDIMXSG-CYBMUJFWSA-N -1 0 322.325 -0.099 20 0 DBADRM C[C@]1(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046559002 816885363 /nfs/dbraw/zinc/88/53/63/816885363.db2.gz ZZESYIPUPQIAKS-SAOAKYDJSA-N -1 0 307.354 -0.517 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)C1=O ZINC001046559325 816885537 /nfs/dbraw/zinc/88/55/37/816885537.db2.gz YKOXUQDKBFHOAL-LKFCYVNXSA-N -1 0 322.369 -0.931 20 0 DBADRM CCC(=O)N(C)[C@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O ZINC001047270825 817030361 /nfs/dbraw/zinc/03/03/61/817030361.db2.gz WBRXDFZRPMAYHI-RYUDHWBXSA-N -1 0 319.365 -0.564 20 0 DBADRM Cc1ncoc1C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047336418 817074063 /nfs/dbraw/zinc/07/40/63/817074063.db2.gz CSFLKJVIOQZZOB-IUCAKERBSA-N -1 0 322.325 -0.876 20 0 DBADRM CN(C(=O)[C@H]1CC1(C)C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047353873 817083156 /nfs/dbraw/zinc/08/31/56/817083156.db2.gz NWGWKZZBFJPQRS-UTLUCORTSA-N -1 0 309.370 -0.440 20 0 DBADRM CN(C(=O)C1CC(C)(C)C1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047369493 817093041 /nfs/dbraw/zinc/09/30/41/817093041.db2.gz SGALCMDUCCCIKB-QWRGUYRKSA-N -1 0 323.397 -0.050 20 0 DBADRM C[C@@H](C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCC1 ZINC001047424771 817125637 /nfs/dbraw/zinc/12/56/37/817125637.db2.gz WKHOQFWVNWVKBH-USWWRNFRSA-N -1 0 323.397 -0.050 20 0 DBADRM O=C([C@H]1CCOC1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048714136 817409287 /nfs/dbraw/zinc/40/92/87/817409287.db2.gz HHJNDPHRINDEOH-GARJFASQSA-N -1 0 307.354 -0.563 20 0 DBADRM O=C(Cc1cnoc1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001049001680 817505739 /nfs/dbraw/zinc/50/57/39/817505739.db2.gz BPWODDDECMETPG-PHIMTYICSA-N -1 0 318.337 -0.369 20 0 DBADRM C[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001049138563 817541658 /nfs/dbraw/zinc/54/16/58/817541658.db2.gz SCGTYGOFIAOPFD-YFKTTZPYSA-N -1 0 321.381 -0.175 20 0 DBADRM CNC(=O)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1n[nH]c(C)c1[O-] ZINC001049424146 817591642 /nfs/dbraw/zinc/59/16/42/817591642.db2.gz ZVWGSJDTSKZFCA-QWRGUYRKSA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]3[C@@H]2CCN3CC(N)=O)c1[O-] ZINC001049422230 817591906 /nfs/dbraw/zinc/59/19/06/817591906.db2.gz GVDPUIMOGHAPBN-UWVGGRQHSA-N -1 0 307.354 -0.412 20 0 DBADRM O=C(c1nc[nH]n1)N1CCC[C@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001049797123 817638119 /nfs/dbraw/zinc/63/81/19/817638119.db2.gz GMZYODLCBBFRHE-IUCAKERBSA-N -1 0 318.341 -0.493 20 0 DBADRM O=C(c1cnon1)N1CCC[C@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001049797845 817639110 /nfs/dbraw/zinc/63/91/10/817639110.db2.gz KPJRCVBIOKDOLX-VHSXEESVSA-N -1 0 319.325 -0.228 20 0 DBADRM O=C(c1cc[nH]n1)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001049981178 817660027 /nfs/dbraw/zinc/66/00/27/817660027.db2.gz WBGMRKRUZCCLKA-GXSJLCMTSA-N -1 0 317.353 -0.030 20 0 DBADRM O=C([C@@H]1CCOC1)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001049993979 817663102 /nfs/dbraw/zinc/66/31/02/817663102.db2.gz TZJGKPAZZWRUAU-QJPTWQEYSA-N -1 0 321.381 -0.030 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]3CN(CC(N)=O)C[C@H]32)c1[O-] ZINC001050025047 817665983 /nfs/dbraw/zinc/66/59/83/817665983.db2.gz MCLWJRUWOKWDBN-VHSXEESVSA-N -1 0 307.354 -0.555 20 0 DBADRM O=C(c1cn[nH]n1)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001050083492 817674304 /nfs/dbraw/zinc/67/43/04/817674304.db2.gz HFPZKYDCIYGZHD-WCBMZHEXSA-N -1 0 318.341 -0.635 20 0 DBADRM O=C(c1nc[nH]n1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001050700651 817746212 /nfs/dbraw/zinc/74/62/12/817746212.db2.gz ZXJIJTAJHCTFBM-UHFFFAOYSA-N -1 0 318.341 -0.633 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ccc[nH]1 ZINC001050817416 817765177 /nfs/dbraw/zinc/76/51/77/817765177.db2.gz JKBUWTZEFZFVOG-VIFPVBQESA-N -1 0 306.326 -0.531 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001050873668 817781643 /nfs/dbraw/zinc/78/16/43/817781643.db2.gz VODYORWETANSHK-VHSXEESVSA-N -1 0 309.370 -0.127 20 0 DBADRM CC(C)=CCN1CCOC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001051004248 817820548 /nfs/dbraw/zinc/82/05/48/817820548.db2.gz AKCBVQLNFKQDPA-SNVBAGLBSA-N -1 0 323.353 -0.320 20 0 DBADRM CC(C)CN1CCOC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001051006348 817821682 /nfs/dbraw/zinc/82/16/82/817821682.db2.gz PZHOLGWCBJVLPN-SECBINFHSA-N -1 0 311.342 -0.631 20 0 DBADRM CCCN1CCOC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC001051060689 817834462 /nfs/dbraw/zinc/83/44/62/817834462.db2.gz IFXKEKRYFDVYFY-JTQLQIEISA-N -1 0 310.354 -0.674 20 0 DBADRM CCCCN1CCOC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC001051063355 817836130 /nfs/dbraw/zinc/83/61/30/817836130.db2.gz VZCPWPFEXQNONA-LLVKDONJSA-N -1 0 324.381 -0.283 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001051081111 817840492 /nfs/dbraw/zinc/84/04/92/817840492.db2.gz HNLQJDIKLPIYIY-NOOOWODRSA-N -1 0 321.381 -0.127 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1CC12CC2 ZINC001051140561 817856404 /nfs/dbraw/zinc/85/64/04/817856404.db2.gz IWMGJZOSLMRTFL-UWVGGRQHSA-N -1 0 307.354 -0.373 20 0 DBADRM CCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001051286519 817896910 /nfs/dbraw/zinc/89/69/10/817896910.db2.gz BLYXPXCEMLEUSR-HTQZYQBOSA-N -1 0 309.326 -0.340 20 0 DBADRM CCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001051314349 817899078 /nfs/dbraw/zinc/89/90/78/817899078.db2.gz MDKOFZVPDACIHJ-BDAKNGLRSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCO[C@H](CNCc3cnon3)C2)c1[O-] ZINC001051550282 817960001 /nfs/dbraw/zinc/96/00/01/817960001.db2.gz NPZUMXXZIYRJDQ-SNVBAGLBSA-N -1 0 322.325 -0.562 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H](NCc3cnn(C)n3)C2)c1[O-] ZINC001054572048 818141606 /nfs/dbraw/zinc/14/16/06/818141606.db2.gz LOWFAZKUIHWVDD-GZMMTYOYSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NCc3cnn(C)n3)C2)c1[O-] ZINC001054572056 818142122 /nfs/dbraw/zinc/14/21/22/818142122.db2.gz LOWFAZKUIHWVDD-LDYMZIIASA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](NCc3nncn3C)C2)c1[O-] ZINC001054579734 818142169 /nfs/dbraw/zinc/14/21/69/818142169.db2.gz JAPCFGWGHOKQBI-SCZZXKLOSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H](NCc3nnnn3C)C2)c1[O-] ZINC001054582116 818143331 /nfs/dbraw/zinc/14/33/31/818143331.db2.gz QZIDWHBJXGQOMH-IONNQARKSA-N -1 0 320.357 -0.802 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(c2ncc(F)cn2)CC1 ZINC001056081921 818365909 /nfs/dbraw/zinc/36/59/09/818365909.db2.gz LPJCKQBTPQZTJF-UHFFFAOYSA-N -1 0 321.272 -0.826 20 0 DBADRM Cc1ccc(N2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)nn1 ZINC001056083860 818366018 /nfs/dbraw/zinc/36/60/18/818366018.db2.gz VIDFFEXISKBULO-UHFFFAOYSA-N -1 0 317.309 -0.656 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2C)c1[O-] ZINC001056850943 818499720 /nfs/dbraw/zinc/49/97/20/818499720.db2.gz JKZRRKRENMAHMC-PSASIEDQSA-N -1 0 310.354 -0.370 20 0 DBADRM CN(c1ncccn1)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001056949563 818535332 /nfs/dbraw/zinc/53/53/32/818535332.db2.gz OTOXQMMPICWVAM-VIFPVBQESA-N -1 0 319.325 -0.783 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)c2cn[nH]c2)c1[O-] ZINC001057073854 818577382 /nfs/dbraw/zinc/57/73/82/818577382.db2.gz IRTXPGRLAONVBR-UHFFFAOYSA-N -1 0 322.325 -0.989 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)c2ccco2)c1[O-] ZINC001057354095 818697186 /nfs/dbraw/zinc/69/71/86/818697186.db2.gz MQZSBEVIXTUUHF-UHFFFAOYSA-N -1 0 322.321 -0.119 20 0 DBADRM COCCC(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057354605 818697387 /nfs/dbraw/zinc/69/73/87/818697387.db2.gz ZYPXXGYQVJXEAW-UHFFFAOYSA-N -1 0 314.342 -0.989 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)/C=C/C2CC2)c1[O-] ZINC001057354325 818697449 /nfs/dbraw/zinc/69/74/49/818697449.db2.gz UDIVPCBBWKTFNP-SNAWJCMRSA-N -1 0 322.365 -0.059 20 0 DBADRM CSCC(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057354135 818697463 /nfs/dbraw/zinc/69/74/63/818697463.db2.gz NZLGNJHUKBNLKA-UHFFFAOYSA-N -1 0 316.383 -0.663 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)c2ncc[nH]2)c1[O-] ZINC001057519021 818747105 /nfs/dbraw/zinc/74/71/05/818747105.db2.gz IOGZUXYXQLRGRF-UHFFFAOYSA-N -1 0 322.325 -0.989 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](Nc2ncccn2)C1 ZINC001057674913 818785594 /nfs/dbraw/zinc/78/55/94/818785594.db2.gz WIGVHGVJLNERFW-SECBINFHSA-N -1 0 319.325 -0.418 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CCN(c2ncccn2)CC1 ZINC001057888243 818821472 /nfs/dbraw/zinc/82/14/72/818821472.db2.gz GRDRWCOVDAJJHE-UHFFFAOYSA-N -1 0 319.325 -0.736 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(c2nccnc2F)C1 ZINC001058413209 818945979 /nfs/dbraw/zinc/94/59/79/818945979.db2.gz OCJQBNRMJZKFDF-SSDOTTSWSA-N -1 0 323.288 -0.987 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(c2cc(F)ncn2)C1 ZINC001058413496 818945993 /nfs/dbraw/zinc/94/59/93/818945993.db2.gz WFFOKMOGUSPZPD-ZETCQYMHSA-N -1 0 323.288 -0.987 20 0 DBADRM O=C(N[C@H]1CCN(c2cccc(F)n2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001058603908 819005568 /nfs/dbraw/zinc/00/55/68/819005568.db2.gz LLSQADLUUPOSDY-ZETCQYMHSA-N -1 0 320.284 -0.174 20 0 DBADRM O=C(N[C@@H]1CCN(c2cnc(F)cn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001058603580 819005806 /nfs/dbraw/zinc/00/58/06/819005806.db2.gz BOMBPYBAMPCPSC-ZCFIWIBFSA-N -1 0 321.272 -0.779 20 0 DBADRM O=C(N[C@@H]1CCN(c2cc(F)ncn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001058604344 819005954 /nfs/dbraw/zinc/00/59/54/819005954.db2.gz WODOEYCXLYKJFE-ZCFIWIBFSA-N -1 0 321.272 -0.779 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](Nc2nccnc2F)C1 ZINC001058936492 819081565 /nfs/dbraw/zinc/08/15/65/819081565.db2.gz MLSPAEAVRZFHDV-ZETCQYMHSA-N -1 0 323.288 -0.669 20 0 DBADRM Cc1ccc(N[C@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)nn1 ZINC001059270904 819126862 /nfs/dbraw/zinc/12/68/62/819126862.db2.gz VPMDPYSIHOKUCQ-KYZUINATSA-N -1 0 319.325 -0.453 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H]2CCN(C(=O)CC(N)=O)C2)c1[O-] ZINC001059379702 819139856 /nfs/dbraw/zinc/13/98/56/819139856.db2.gz XBLPSMRTKSTHDN-VIFPVBQESA-N -1 0 323.353 -0.732 20 0 DBADRM CCC(=O)NCC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001060002095 819190549 /nfs/dbraw/zinc/19/05/49/819190549.db2.gz NITVWFYRGZLACP-MRVPVSSYSA-N -1 0 309.326 -0.339 20 0 DBADRM O=C(NC[C@@H]1CCN(c2ncccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001061784836 819406431 /nfs/dbraw/zinc/40/64/31/819406431.db2.gz JKNRVEJWQDJYNA-QMMMGPOBSA-N -1 0 317.309 -0.671 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CNC(=O)C(N)=O)c1[O-] ZINC001062128881 819454783 /nfs/dbraw/zinc/45/47/83/819454783.db2.gz MQSRHOSHWRDEFG-MRVPVSSYSA-N -1 0 309.326 -0.980 20 0 DBADRM O=C(CC1CC1)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001062388160 819476333 /nfs/dbraw/zinc/47/63/33/819476333.db2.gz FZKORAJPESPSIC-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001062437619 819484436 /nfs/dbraw/zinc/48/44/36/819484436.db2.gz GQHAAQBHOODXKD-IUCAKERBSA-N -1 0 323.353 -0.500 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCN(c2ncccn2)C1 ZINC001063074338 819579369 /nfs/dbraw/zinc/57/93/69/819579369.db2.gz CUIOLKMYNCASKU-QMMMGPOBSA-N -1 0 317.309 -0.576 20 0 DBADRM CC(=O)NC1(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CCC1 ZINC001063476688 819606602 /nfs/dbraw/zinc/60/66/02/819606602.db2.gz XZRIEXCZKMNNAZ-UHFFFAOYSA-N -1 0 311.342 -0.356 20 0 DBADRM O=C(NCC1(NC(=O)C2CCC2)CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001063788107 819637663 /nfs/dbraw/zinc/63/76/63/819637663.db2.gz BYQSREPPCDUEBH-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001063788398 819638767 /nfs/dbraw/zinc/63/87/67/819638767.db2.gz KWGPMKIKOIEQCE-JGVFFNPUSA-N -1 0 321.337 -0.293 20 0 DBADRM CCn1cc(C(=O)NCC2(NC(=O)c3cn[nH]n3)CCC2)nn1 ZINC001064316663 819688819 /nfs/dbraw/zinc/68/88/19/819688819.db2.gz HPQCRCVNARVDLP-UHFFFAOYSA-N -1 0 318.341 -0.501 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](NC(=O)CC(N)=O)CC2)c1[O-] ZINC001066008679 819974759 /nfs/dbraw/zinc/97/47/59/819974759.db2.gz QUHRHSDVJRKQOL-VIFPVBQESA-N -1 0 323.353 -0.590 20 0 DBADRM O=C(N[C@H]1C[C@H](CNc2ncccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001068621689 820212859 /nfs/dbraw/zinc/21/28/59/820212859.db2.gz WSXBKSRRNJQOJO-ZKCHVHJHSA-N -1 0 317.309 -0.307 20 0 DBADRM C[C@@H]1[C@H](Nc2ncccn2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001068873073 820261805 /nfs/dbraw/zinc/26/18/05/820261805.db2.gz WQDFIJAMSCAAQP-RKDXNWHRSA-N -1 0 319.325 -0.419 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC(Nc2ncccn2)C1 ZINC001069759597 820306693 /nfs/dbraw/zinc/30/66/93/820306693.db2.gz ZUNIGCSVBZYYAJ-UHFFFAOYSA-N -1 0 319.325 -0.419 20 0 DBADRM CC(=O)NCc1c[nH]nc1[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001070389762 820456842 /nfs/dbraw/zinc/45/68/42/820456842.db2.gz BBHKMUPRFCZLEB-VIFPVBQESA-N -1 0 305.342 -0.141 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001070620916 820513372 /nfs/dbraw/zinc/51/33/72/820513372.db2.gz ZONYDAHJWWPDOH-SNVBAGLBSA-N -1 0 323.353 -0.719 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)Cn2cccn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071353764 820674142 /nfs/dbraw/zinc/67/41/42/820674142.db2.gz BYANZNBRGGDDEF-MNOVXSKESA-N -1 0 319.369 -0.124 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)Cn2cccn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071353763 820674715 /nfs/dbraw/zinc/67/47/15/820674715.db2.gz BYANZNBRGGDDEF-GHMZBOCLSA-N -1 0 319.369 -0.124 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)Cc2cc[nH]n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071402622 820678491 /nfs/dbraw/zinc/67/84/91/820678491.db2.gz VCJCISSZLLKCCN-GXSJLCMTSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)c2cn(C)nn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071487743 820695954 /nfs/dbraw/zinc/69/59/54/820695954.db2.gz NFEFSZWSHGAIHR-DTWKUNHWSA-N -1 0 320.357 -0.578 20 0 DBADRM CC(=O)NCC(=O)N1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](C)C1 ZINC001071496514 820700151 /nfs/dbraw/zinc/70/01/51/820700151.db2.gz UQTMYPPZGUJLDQ-XVKPBYJWSA-N -1 0 323.353 -0.863 20 0 DBADRM CC(=O)NCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001071496511 820700179 /nfs/dbraw/zinc/70/01/79/820700179.db2.gz UQTMYPPZGUJLDQ-GMSGAONNSA-N -1 0 323.353 -0.863 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1C ZINC001071912602 820805862 /nfs/dbraw/zinc/80/58/62/820805862.db2.gz CIUSLVDPWSSGRW-XVKPBYJWSA-N -1 0 323.353 -0.863 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)c2cnon2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071913677 820808765 /nfs/dbraw/zinc/80/87/65/820808765.db2.gz HFUSQFBHMIIJDX-JGVFFNPUSA-N -1 0 307.314 -0.324 20 0 DBADRM CNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001071965891 820824557 /nfs/dbraw/zinc/82/45/57/820824557.db2.gz DZQWTSSDMLSOTR-APPZFPTMSA-N -1 0 323.353 -0.863 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)Cc2nc[nH]n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071973824 820832524 /nfs/dbraw/zinc/83/25/24/820832524.db2.gz IVDDAODREVHLDA-DTWKUNHWSA-N -1 0 320.357 -0.660 20 0 DBADRM CC(C)=CC(=O)N[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001072453558 820923497 /nfs/dbraw/zinc/92/34/97/820923497.db2.gz LSKCDHGJDWKNIF-BDAKNGLRSA-N -1 0 321.337 -0.174 20 0 DBADRM CC(C)CC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001072452249 820923562 /nfs/dbraw/zinc/92/35/62/820923562.db2.gz AHTHTORIAJSHQJ-RKDXNWHRSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(C)=CC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001072453559 820923790 /nfs/dbraw/zinc/92/37/90/820923790.db2.gz LSKCDHGJDWKNIF-DTWKUNHWSA-N -1 0 321.337 -0.174 20 0 DBADRM CCCC(=O)N[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001072483117 820929141 /nfs/dbraw/zinc/92/91/41/820929141.db2.gz CTXJLYHEBLGDJH-IUCAKERBSA-N -1 0 311.342 -0.548 20 0 DBADRM CNC(=O)CN1CCC2(CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC001072625515 820969903 /nfs/dbraw/zinc/96/99/03/820969903.db2.gz NWPBEHZNHIOZCE-UHFFFAOYSA-N -1 0 307.354 -0.682 20 0 DBADRM CC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(C(=O)C2CC2)CC1 ZINC001072812670 821018887 /nfs/dbraw/zinc/01/88/87/821018887.db2.gz ORDFGLKKMSQOGU-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)CO1 ZINC001072872146 821036812 /nfs/dbraw/zinc/03/68/12/821036812.db2.gz TZXZYANQAMKXEW-MNOVXSKESA-N -1 0 321.381 -0.030 20 0 DBADRM Cc1c[nH]c(C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)n1 ZINC001073046049 821077261 /nfs/dbraw/zinc/07/72/61/821077261.db2.gz LCKIWTUHNUIHAF-UHFFFAOYSA-N -1 0 317.353 -0.110 20 0 DBADRM O=C(C1=COCCO1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075517073 821531697 /nfs/dbraw/zinc/53/16/97/821531697.db2.gz KXRXSARBXSBMPE-VHSXEESVSA-N -1 0 321.337 -0.569 20 0 DBADRM O=C([C@H]1CCCO1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075525443 821534145 /nfs/dbraw/zinc/53/41/45/821534145.db2.gz GNOLOZIANCUIGR-HBNTYKKESA-N -1 0 307.354 -0.278 20 0 DBADRM O=C(c1cnsn1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075582812 821550205 /nfs/dbraw/zinc/55/02/05/821550205.db2.gz NFZCTFHWGGVCJY-IONNQARKSA-N -1 0 321.366 -0.292 20 0 DBADRM O=C(c1ccon1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075582911 821551548 /nfs/dbraw/zinc/55/15/48/821551548.db2.gz RZCOSRCOFZCESF-WCBMZHEXSA-N -1 0 304.310 -0.155 20 0 DBADRM Cc1cc(C(=O)N2CC[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)[nH]n1 ZINC001075588211 821551659 /nfs/dbraw/zinc/55/16/59/821551659.db2.gz ULJNDXMMWWHCGO-GXSJLCMTSA-N -1 0 317.353 -0.112 20 0 DBADRM O=C(Cc1ccon1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075634016 821563313 /nfs/dbraw/zinc/56/33/13/821563313.db2.gz SRZIDUHUQDKJGS-GXSJLCMTSA-N -1 0 318.337 -0.226 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CN([C@@H](C)C(N)=O)C[C@H]32)c1[O-] ZINC001075691956 821571928 /nfs/dbraw/zinc/57/19/28/821571928.db2.gz CRMIJXPCXQSILF-LPEHRKFASA-N -1 0 307.354 -0.556 20 0 DBADRM C[C@@H](CCNC(=O)/C=C\C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001076035862 821657598 /nfs/dbraw/zinc/65/75/98/821657598.db2.gz NYGPMITUEJVLDW-LGYSABEFSA-N -1 0 321.337 -0.126 20 0 DBADRM C[C@@H](CCNC(=O)/C=C/C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001076035863 821658299 /nfs/dbraw/zinc/65/82/99/821658299.db2.gz NYGPMITUEJVLDW-ZJELKQJVSA-N -1 0 321.337 -0.126 20 0 DBADRM O=C(c1n[nH]cc1F)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076215026 821690049 /nfs/dbraw/zinc/69/00/49/821690049.db2.gz LLOMTFDMUOMABC-IONNQARKSA-N -1 0 321.316 -0.281 20 0 DBADRM Cc1cccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)n1 ZINC001076754206 821836852 /nfs/dbraw/zinc/83/68/52/821836852.db2.gz HFWDXRFBKDRTMP-GHMZBOCLSA-N -1 0 318.337 -0.811 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001076843469 821886546 /nfs/dbraw/zinc/88/65/46/821886546.db2.gz IPRMYJHJOMTRRZ-TUTUZKQUSA-N -1 0 321.381 -0.392 20 0 DBADRM Cc1cccnc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076859636 821892083 /nfs/dbraw/zinc/89/20/83/821892083.db2.gz VTNNUPOOONBMBG-NXEZZACHSA-N -1 0 318.337 -0.811 20 0 DBADRM C[C@@H](CCNC(=O)C1(C)CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001076862721 821893271 /nfs/dbraw/zinc/89/32/71/821893271.db2.gz BVNHBHHMOAKDON-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@@H](CCNC(=O)C1(C)CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001076868307 821896101 /nfs/dbraw/zinc/89/61/01/821896101.db2.gz HKLOYZRTXKTKEU-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3csnn3)C[C@H]2O)c1[O-] ZINC001076890202 821908183 /nfs/dbraw/zinc/90/81/83/821908183.db2.gz OVFQBIDNDUWEJH-RKDXNWHRSA-N -1 0 324.366 -0.750 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@H]2O)c1[O-] ZINC001076890261 821908390 /nfs/dbraw/zinc/90/83/90/821908390.db2.gz RJMGIRACWSPVGT-NXEZZACHSA-N -1 0 318.337 -0.811 20 0 DBADRM Cc1ncoc1CN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001076892484 821909633 /nfs/dbraw/zinc/90/96/33/821909633.db2.gz MMTOJBXEPVLQMN-NXEZZACHSA-N -1 0 321.337 -0.305 20 0 DBADRM CCc1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)co1 ZINC001076911516 821919111 /nfs/dbraw/zinc/91/91/11/821919111.db2.gz PPGWFWUGPWCIOI-VXNVDRBHSA-N -1 0 322.325 -0.964 20 0 DBADRM Cc1cc[nH]c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076951678 821938958 /nfs/dbraw/zinc/93/89/58/821938958.db2.gz XFPQTNZKADLNHN-RKDXNWHRSA-N -1 0 306.326 -0.878 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@]12C[C@H]1CCC2 ZINC001077416851 822107033 /nfs/dbraw/zinc/10/70/33/822107033.db2.gz BMMITQIWZADPQK-NZHONMPCSA-N -1 0 307.354 -0.638 20 0 DBADRM O=C(C[C@H]1CC=CCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077518152 822138439 /nfs/dbraw/zinc/13/84/39/822138439.db2.gz PEYVUQGQMDQUBG-QJPTWQEYSA-N -1 0 321.381 -0.082 20 0 DBADRM Cc1cocc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077521542 822139516 /nfs/dbraw/zinc/13/95/16/822139516.db2.gz DEDSQRQCKVOIBA-NXEZZACHSA-N -1 0 307.310 -0.613 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)c1cnco1 ZINC001077577988 822159270 /nfs/dbraw/zinc/15/92/70/822159270.db2.gz HSUCRRNCCIGSEV-LURJTMIESA-N -1 0 322.281 -0.791 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)/C=C\C1CC1 ZINC001077578031 822159446 /nfs/dbraw/zinc/15/94/46/822159446.db2.gz JPSJAJHMZQBDAJ-LGYSABEFSA-N -1 0 321.337 -0.126 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@]12C[C@H]1CCCC2 ZINC001077644353 822177252 /nfs/dbraw/zinc/17/72/52/822177252.db2.gz SZTURVCYPUFMMH-UYUMYWFVSA-N -1 0 321.381 -0.248 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CC1CC1 ZINC001077680156 822188640 /nfs/dbraw/zinc/18/86/40/822188640.db2.gz ULSANNLBCRTIAX-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1=CCCC1 ZINC001077680236 822188718 /nfs/dbraw/zinc/18/87/18/822188718.db2.gz XHRPOJALMLKUCR-VIFPVBQESA-N -1 0 323.353 -0.189 20 0 DBADRM C[C@@H](CCNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C(F)F ZINC001077709101 822198498 /nfs/dbraw/zinc/19/84/98/822198498.db2.gz DXUOWBSFZAGSCW-LURJTMIESA-N -1 0 318.280 -0.624 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)c2nnc[nH]2)c1[O-] ZINC001077830149 822236704 /nfs/dbraw/zinc/23/67/04/822236704.db2.gz HPJKZORFIWPSNA-LURJTMIESA-N -1 0 307.314 -0.520 20 0 DBADRM COCCC1(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001112942015 828438319 /nfs/dbraw/zinc/43/83/19/828438319.db2.gz AFPWQONVZWKWRH-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)Nc1ncccn1 ZINC001113110710 828458843 /nfs/dbraw/zinc/45/88/43/828458843.db2.gz WBXMKTWBSVXMRI-YUMQZZPRSA-N -1 0 307.314 -0.515 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)Nc1ncccn1 ZINC001113110709 828458909 /nfs/dbraw/zinc/45/89/09/828458909.db2.gz WBXMKTWBSVXMRI-SFYZADRCSA-N -1 0 307.314 -0.515 20 0 DBADRM Cc1nccc(N[C@H](C)[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001113109827 828459279 /nfs/dbraw/zinc/45/92/79/828459279.db2.gz ITURXBDAEDSPPD-HTQZYQBOSA-N -1 0 321.341 -0.207 20 0 DBADRM COCCO[C@@H](C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113400123 828493147 /nfs/dbraw/zinc/49/31/47/828493147.db2.gz FELYDNGCOKAZFD-JTQLQIEISA-N -1 0 313.358 -0.794 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001118514265 829097101 /nfs/dbraw/zinc/09/71/01/829097101.db2.gz XZAKAPWIDIKLGP-SKDRFNHKSA-N -1 0 322.383 -0.736 20 0 DBADRM CCNC(=O)CCCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113556325 828516172 /nfs/dbraw/zinc/51/61/72/828516172.db2.gz QRYPLAXIUTWDDZ-UHFFFAOYSA-N -1 0 324.385 -0.539 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)c1cccc(F)n1 ZINC001113682347 828538214 /nfs/dbraw/zinc/53/82/14/828538214.db2.gz XTOHOHANBUXGHG-MRVPVSSYSA-N -1 0 324.316 -0.136 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CCC=CCC1 ZINC001078191975 823735718 /nfs/dbraw/zinc/73/57/18/823735718.db2.gz ABVYWOUIINTZOC-VXGBXAGGSA-N -1 0 321.381 -0.082 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccc(=O)[nH]n1 ZINC001079383269 823876099 /nfs/dbraw/zinc/87/60/99/823876099.db2.gz LOUIULVAVYMYSV-VXNVDRBHSA-N -1 0 319.325 -0.744 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)n1cccn1 ZINC001079445314 823888778 /nfs/dbraw/zinc/88/87/78/823888778.db2.gz ABOBXKMPFZIFGB-OUAUKWLOSA-N -1 0 319.369 -0.096 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnns1 ZINC001079457935 823891504 /nfs/dbraw/zinc/89/15/04/823891504.db2.gz VEJPORHQXPDYGZ-RNFRBKRXSA-N -1 0 309.355 -0.388 20 0 DBADRM Cc1c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)nnn1C ZINC001079521149 823905046 /nfs/dbraw/zinc/90/50/46/823905046.db2.gz LUKCARZLWMJLEU-VXNVDRBHSA-N -1 0 320.357 -0.802 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC001079517615 823905463 /nfs/dbraw/zinc/90/54/63/823905463.db2.gz MCCSUYCYJCEFDX-PSASIEDQSA-N -1 0 305.342 -0.587 20 0 DBADRM Cc1cc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)n[nH]1 ZINC001079559521 823916797 /nfs/dbraw/zinc/91/67/97/823916797.db2.gz NYVGRYRYTOJBMG-LDYMZIIASA-N -1 0 319.369 -0.279 20 0 DBADRM CCn1ccnc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001079637055 823929831 /nfs/dbraw/zinc/92/98/31/823929831.db2.gz BZRANHWGRNUVCX-NXEZZACHSA-N -1 0 319.369 -0.023 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1cncnc1 ZINC001079637174 823929985 /nfs/dbraw/zinc/92/99/85/823929985.db2.gz IROIWDNCNBOVSU-MWLCHTKSSA-N -1 0 317.353 -0.521 20 0 DBADRM Cc1ccnc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)n1 ZINC001079640511 823930013 /nfs/dbraw/zinc/93/00/13/823930013.db2.gz XHMYFKASYDFMOC-PSASIEDQSA-N -1 0 317.353 -0.141 20 0 DBADRM CCN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C1CN(C(C)=O)C1 ZINC001080007502 823992265 /nfs/dbraw/zinc/99/22/65/823992265.db2.gz DQKLHZZXXIGCHE-UHFFFAOYSA-N -1 0 311.342 -0.451 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)c1cc(F)ncn1 ZINC001113967358 828596802 /nfs/dbraw/zinc/59/68/02/828596802.db2.gz BSFDKVRXMBLMSF-LURJTMIESA-N -1 0 323.288 -0.533 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)c1cc(F)ncn1 ZINC001113967359 828597363 /nfs/dbraw/zinc/59/73/63/828597363.db2.gz BSFDKVRXMBLMSF-ZCFIWIBFSA-N -1 0 323.288 -0.533 20 0 DBADRM CCO[C@@H](CC)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001113977279 828600278 /nfs/dbraw/zinc/60/02/78/828600278.db2.gz SCLYFXNHLUHXDX-MIZYBKAJSA-N -1 0 309.370 -0.128 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1C ZINC001080281582 824024867 /nfs/dbraw/zinc/02/48/67/824024867.db2.gz DUOYXYOUQTXLIH-BBBLOLIVSA-N -1 0 322.369 -0.932 20 0 DBADRM COCCCCC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114014832 828607201 /nfs/dbraw/zinc/60/72/01/828607201.db2.gz UNCQFHINZCCDHA-IWIIMEHWSA-N -1 0 309.370 -0.127 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1n[nH]cc1F ZINC001080398853 824038869 /nfs/dbraw/zinc/03/88/69/824038869.db2.gz PJOSPXGZUXRBRY-HTRCEHHLSA-N -1 0 309.305 -0.377 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccc(=O)[nH]c1 ZINC001080886595 824103796 /nfs/dbraw/zinc/10/37/96/824103796.db2.gz PHQHINDONXYGPB-PSASIEDQSA-N -1 0 318.337 -0.139 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](CNC(=O)C(F)F)[C@H](O)C2)c1[O-] ZINC001081149622 824137167 /nfs/dbraw/zinc/13/71/67/824137167.db2.gz KVBVYXOBOUHYPF-RNFRBKRXSA-N -1 0 318.280 -0.762 20 0 DBADRM CCCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC001081175666 824149789 /nfs/dbraw/zinc/14/97/89/824149789.db2.gz OBIGPVFZQUNMGX-ZJUUUORDSA-N -1 0 310.354 -0.227 20 0 DBADRM CCCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001081175663 824149948 /nfs/dbraw/zinc/14/99/48/824149948.db2.gz OBIGPVFZQUNMGX-NXEZZACHSA-N -1 0 310.354 -0.227 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cc(C)n[nH]1 ZINC001081406379 824238682 /nfs/dbraw/zinc/23/86/82/824238682.db2.gz CDNJDMRPYIAFBU-NXEZZACHSA-N -1 0 321.341 -0.829 20 0 DBADRM CO[C@@H]1CN(Cc2cnon2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001081544118 824290139 /nfs/dbraw/zinc/29/01/39/824290139.db2.gz STABTJUAJBFTQK-NXEZZACHSA-N -1 0 322.325 -0.564 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1n[nH]cc1C ZINC001081646483 824320452 /nfs/dbraw/zinc/32/04/52/824320452.db2.gz JGUCJXVTYFFDNK-RKDXNWHRSA-N -1 0 321.341 -0.829 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1nocc1C ZINC001082307238 824420495 /nfs/dbraw/zinc/42/04/95/824420495.db2.gz TVBRKFAVKCDHBH-RKDXNWHRSA-N -1 0 322.325 -0.564 20 0 DBADRM CC[C@H](F)C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083164953 824509254 /nfs/dbraw/zinc/50/92/54/824509254.db2.gz ITSPHSXRHHYUNG-LPEHRKFASA-N -1 0 313.333 -0.330 20 0 DBADRM Cc1ccoc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083342091 824555334 /nfs/dbraw/zinc/55/53/34/824555334.db2.gz IFGCZLRATXFJLC-BDAKNGLRSA-N -1 0 307.310 -0.613 20 0 DBADRM Cc1ncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)s1 ZINC001083363755 824573636 /nfs/dbraw/zinc/57/36/36/824573636.db2.gz HDIUXYFAAVLFMY-SFYZADRCSA-N -1 0 324.366 -0.750 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cncc(F)c1 ZINC001083402489 824602205 /nfs/dbraw/zinc/60/22/05/824602205.db2.gz IIOPBFMIAYUCCZ-ZJUUUORDSA-N -1 0 322.300 -0.981 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nncs3)C[C@@H]2O)c1[O-] ZINC001083409629 824605852 /nfs/dbraw/zinc/60/58/52/824605852.db2.gz BLMBBHANBHANQP-SFYZADRCSA-N -1 0 324.366 -0.750 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccon3)C[C@@H]2O)c1[O-] ZINC001083409924 824605871 /nfs/dbraw/zinc/60/58/71/824605871.db2.gz NCNQBTHRTIQFCN-ZJUUUORDSA-N -1 0 307.310 -0.613 20 0 DBADRM Cc1nnc(CN2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)o1 ZINC001083410560 824607257 /nfs/dbraw/zinc/60/72/57/824607257.db2.gz LJYYOFCSGIYOEH-BDAKNGLRSA-N -1 0 322.325 -0.910 20 0 DBADRM O=C(CCOCC1CC1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114275445 828669001 /nfs/dbraw/zinc/66/90/01/828669001.db2.gz GJXCLXZTISSNKC-YABSGUDNSA-N -1 0 321.381 -0.127 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1C=CC=CC=C1 ZINC001083497265 824650011 /nfs/dbraw/zinc/65/00/11/824650011.db2.gz MQKFXDSIYOAPNB-NEPJUHHUSA-N -1 0 317.349 -0.530 20 0 DBADRM CC1(C)CC[C@@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083710654 824740774 /nfs/dbraw/zinc/74/07/74/824740774.db2.gz JOKNIOKZOHZRLD-BBBLOLIVSA-N -1 0 309.370 -0.392 20 0 DBADRM Cc1ncccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083739487 824755521 /nfs/dbraw/zinc/75/55/21/824755521.db2.gz IOHUGSYOOYMBCY-MNOVXSKESA-N -1 0 318.337 -0.811 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC2(CC2)C1 ZINC001083766679 824766828 /nfs/dbraw/zinc/76/68/28/824766828.db2.gz OWPKJBGIRWZROO-ZJUUUORDSA-N -1 0 307.354 -0.638 20 0 DBADRM O=C([C@@H]1CCCOC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084228670 824911037 /nfs/dbraw/zinc/91/10/37/824911037.db2.gz OGVOXKIBNSWRAC-IJLUTSLNSA-N -1 0 321.381 -0.030 20 0 DBADRM Cc1c(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001085488556 825023351 /nfs/dbraw/zinc/02/33/51/825023351.db2.gz BMRDSDPTVQANIC-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1ncncc1C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085499369 825027533 /nfs/dbraw/zinc/02/75/33/825027533.db2.gz BLIRSOBGQSLPSX-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001085505543 825028671 /nfs/dbraw/zinc/02/86/71/825028671.db2.gz YYTBFCFXBRFCHD-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2[C@H]2CCN(C)C2=O)c1[O-] ZINC001085543647 825038652 /nfs/dbraw/zinc/03/86/52/825038652.db2.gz BTFBXFIETGUEET-MNOVXSKESA-N -1 0 321.381 -0.199 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2Cc2nncn2C)c1[O-] ZINC001085549965 825042170 /nfs/dbraw/zinc/04/21/70/825042170.db2.gz IASJIBHQXDHONF-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2[C@H]2CCNC2=O)c1[O-] ZINC001085549859 825042716 /nfs/dbraw/zinc/04/27/16/825042716.db2.gz FPZPVTIEFCHHHT-ZJUUUORDSA-N -1 0 307.354 -0.541 20 0 DBADRM COc1cc(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)on1 ZINC001085557253 825043210 /nfs/dbraw/zinc/04/32/10/825043210.db2.gz NLEVPFIIJNFNSV-QMMMGPOBSA-N -1 0 322.325 -0.147 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCCNC1=O ZINC001085653767 825072431 /nfs/dbraw/zinc/07/24/31/825072431.db2.gz YUHUYNBSNNEWKL-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM COC1CC(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001085659892 825075957 /nfs/dbraw/zinc/07/59/57/825075957.db2.gz HDPIMIGNMXCNHO-HSOILSAZSA-N -1 0 309.370 -0.032 20 0 DBADRM CCn1cc(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001085897767 825133865 /nfs/dbraw/zinc/13/38/65/825133865.db2.gz NALQOJDLFFXRAT-SECBINFHSA-N -1 0 320.357 -0.532 20 0 DBADRM CCn1cc(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001085897768 825134562 /nfs/dbraw/zinc/13/45/62/825134562.db2.gz NALQOJDLFFXRAT-VIFPVBQESA-N -1 0 320.357 -0.532 20 0 DBADRM Cc1nc[nH]c1C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001086005194 825155835 /nfs/dbraw/zinc/15/58/35/825155835.db2.gz ZIJQVVHMXHDIKG-VIFPVBQESA-N -1 0 305.342 -0.112 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087692741 825353627 /nfs/dbraw/zinc/35/36/27/825353627.db2.gz CSZMLKUNLGGVMQ-VLLVSFFDSA-N -1 0 321.381 -0.128 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087728717 825356235 /nfs/dbraw/zinc/35/62/35/825356235.db2.gz MSCDFDKTHMRBAG-XFWSIPNHSA-N -1 0 322.369 -0.899 20 0 DBADRM O=C([C@@H]1CCOC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001087904984 825374442 /nfs/dbraw/zinc/37/44/42/825374442.db2.gz XWSJOYNATKXQQN-UTUOFQBUSA-N -1 0 321.381 -0.173 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C2=COCCO2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088455247 825422601 /nfs/dbraw/zinc/42/26/01/825422601.db2.gz GKHNSAXTQRDTJG-BDAKNGLRSA-N -1 0 309.326 -0.523 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2COCCO2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088475214 825426541 /nfs/dbraw/zinc/42/65/41/825426541.db2.gz OUOXBZOXYLQZPA-KXUCPTDWSA-N -1 0 311.342 -0.995 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088490393 825427722 /nfs/dbraw/zinc/42/77/22/825427722.db2.gz XERIIAWLKXTBLJ-KOLCDFICSA-N -1 0 319.369 -0.435 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)o2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088543728 825435600 /nfs/dbraw/zinc/43/56/00/825435600.db2.gz SIHMHSZJTDGFLX-SFYZADRCSA-N -1 0 322.325 -0.805 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088548721 825436965 /nfs/dbraw/zinc/43/69/65/825436965.db2.gz DFRUSAJOYXLPKI-SFYZADRCSA-N -1 0 306.330 -0.968 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088603306 825445164 /nfs/dbraw/zinc/44/51/64/825445164.db2.gz HHMGAPGZRKHMMR-BBBLOLIVSA-N -1 0 322.369 -0.932 20 0 DBADRM CC(=O)N1CC[C@@H](n2cc(CNCc3n[nH]c(=O)[n-]3)nn2)C1 ZINC001089572712 825512761 /nfs/dbraw/zinc/51/27/61/825512761.db2.gz WICMYYSUHBSZNJ-SNVBAGLBSA-N -1 0 306.330 -0.815 20 0 DBADRM CCC(=O)N[C@@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1O ZINC001089982680 825536596 /nfs/dbraw/zinc/53/65/96/825536596.db2.gz YJBYBGLDTZVESG-VXGBXAGGSA-N -1 0 319.365 -0.516 20 0 DBADRM CCC(=O)N[C@@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O ZINC001089982677 825536611 /nfs/dbraw/zinc/53/66/11/825536611.db2.gz YJBYBGLDTZVESG-NEPJUHHUSA-N -1 0 319.365 -0.516 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccco1 ZINC001090018418 825547894 /nfs/dbraw/zinc/54/78/94/825547894.db2.gz CBMZDWDCBVUIEH-DTWKUNHWSA-N -1 0 307.310 -0.532 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccccc1 ZINC001090027942 825549509 /nfs/dbraw/zinc/54/95/09/825549509.db2.gz YGQWAVSKNLZYBG-VXGBXAGGSA-N -1 0 317.349 -0.125 20 0 DBADRM Cc1ccc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)o1 ZINC001090050893 825552990 /nfs/dbraw/zinc/55/29/90/825552990.db2.gz QLHDHEAFSDANBB-VHSXEESVSA-N -1 0 321.337 -0.223 20 0 DBADRM Cc1ccc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)o1 ZINC001090050889 825553298 /nfs/dbraw/zinc/55/32/98/825553298.db2.gz QLHDHEAFSDANBB-UWVGGRQHSA-N -1 0 321.337 -0.223 20 0 DBADRM Cn1cccc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090095661 825563958 /nfs/dbraw/zinc/56/39/58/825563958.db2.gz ZLAMQDQDGVKHQU-MWLCHTKSSA-N -1 0 320.353 -0.786 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cscn1 ZINC001090135162 825579357 /nfs/dbraw/zinc/57/93/57/825579357.db2.gz UBTMPMOSJPKHLP-APPZFPTMSA-N -1 0 324.366 -0.668 20 0 DBADRM Cc1ncoc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090174338 825589018 /nfs/dbraw/zinc/58/90/18/825589018.db2.gz KMQYIGCRMUHLGR-IUCAKERBSA-N -1 0 322.325 -0.828 20 0 DBADRM Cc1[nH]ccc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090175633 825589482 /nfs/dbraw/zinc/58/94/82/825589482.db2.gz VBNWRQWPZSDTML-QWRGUYRKSA-N -1 0 320.353 -0.488 20 0 DBADRM O=C(C=C1CCC1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090186143 825590453 /nfs/dbraw/zinc/59/04/53/825590453.db2.gz MCDZSXYCVAHXTM-WDEREUQCSA-N -1 0 307.354 -0.328 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ccon3)C[C@H]2O)c1[O-] ZINC001090202514 825594847 /nfs/dbraw/zinc/59/48/47/825594847.db2.gz YVKRJUNSULQZPZ-GHMZBOCLSA-N -1 0 321.337 -0.223 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ccon3)C[C@@H]2O)c1[O-] ZINC001090202515 825594874 /nfs/dbraw/zinc/59/48/74/825594874.db2.gz YVKRJUNSULQZPZ-MNOVXSKESA-N -1 0 321.337 -0.223 20 0 DBADRM CC1(C)CC(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)C1 ZINC001090243542 825606854 /nfs/dbraw/zinc/60/68/54/825606854.db2.gz HKKTYAKFXPOTAH-GHMZBOCLSA-N -1 0 323.397 -0.002 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccsn1 ZINC001090353098 825647607 /nfs/dbraw/zinc/64/76/07/825647607.db2.gz WTJVKVFHYNCSKI-VXNVDRBHSA-N -1 0 324.366 -0.668 20 0 DBADRM Cc1cocc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090498344 825721090 /nfs/dbraw/zinc/72/10/90/825721090.db2.gz ZYINHUJUQHFIIO-GHMZBOCLSA-N -1 0 321.337 -0.223 20 0 DBADRM Cc1coc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1 ZINC001090503396 825723384 /nfs/dbraw/zinc/72/33/84/825723384.db2.gz IVIZPFWBCJWYTJ-NXEZZACHSA-N -1 0 321.337 -0.223 20 0 DBADRM Cc1cnoc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090692735 825802684 /nfs/dbraw/zinc/80/26/84/825802684.db2.gz OAFRCPLFSFHINM-RKDXNWHRSA-N -1 0 322.325 -0.828 20 0 DBADRM O=C(Cc1ccc[nH]1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090823436 825860225 /nfs/dbraw/zinc/86/02/25/825860225.db2.gz JPVJLSUCMGQWQU-WDEREUQCSA-N -1 0 320.353 -0.868 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1C[C@@H](Nc2ncccn2)C1 ZINC001091359489 825955525 /nfs/dbraw/zinc/95/55/25/825955525.db2.gz BQPYRJKYZGAJOS-DTORHVGOSA-N -1 0 319.325 -0.514 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)c1csnn1 ZINC001092862980 826067422 /nfs/dbraw/zinc/06/74/22/826067422.db2.gz FADNFBGSMFAGAC-HTQZYQBOSA-N -1 0 323.382 -0.140 20 0 DBADRM O=C(C1CC1)N1CC(n2cc(CNCc3n[nH]c(=O)[n-]3)nn2)C1 ZINC001093297088 826115820 /nfs/dbraw/zinc/11/58/20/826115820.db2.gz WAQUDYSGPQYFFI-UHFFFAOYSA-N -1 0 318.341 -0.815 20 0 DBADRM Cc1ccc(NCCNC(=O)c2cnc([O-])n(C)c2=O)nn1 ZINC001094032636 826189696 /nfs/dbraw/zinc/18/96/96/826189696.db2.gz PVTABXLPSJZFAI-UHFFFAOYSA-N -1 0 304.310 -0.574 20 0 DBADRM Cc1nccc(NCCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001094032630 826189946 /nfs/dbraw/zinc/18/99/46/826189946.db2.gz POMKNUIAJBQTNV-UHFFFAOYSA-N -1 0 304.310 -0.574 20 0 DBADRM O=C(NCCNc1nccnc1F)c1c[n-]n2c1nccc2=O ZINC001094160256 826200636 /nfs/dbraw/zinc/20/06/36/826200636.db2.gz FDTLCLZLWJRVCQ-UHFFFAOYSA-N -1 0 317.284 -0.206 20 0 DBADRM CCOc1cc(NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001094253519 826210921 /nfs/dbraw/zinc/21/09/21/826210921.db2.gz RJTMLKSYBMITRL-UHFFFAOYSA-N -1 0 321.297 -0.687 20 0 DBADRM CCc1ncnc(NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)c1F ZINC001094253834 826211178 /nfs/dbraw/zinc/21/11/78/826211178.db2.gz ZPEDMSRGUKLAOM-UHFFFAOYSA-N -1 0 323.288 -0.384 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCNc1cccc(F)n1 ZINC001094256709 826211591 /nfs/dbraw/zinc/21/15/91/826211591.db2.gz FMFWZMFQNKQUPH-UHFFFAOYSA-N -1 0 322.300 -0.022 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCNc1cnc(F)cn1 ZINC001094256828 826212007 /nfs/dbraw/zinc/21/20/07/826212007.db2.gz MLJAXZWQSJUSEC-UHFFFAOYSA-N -1 0 323.288 -0.627 20 0 DBADRM CCN1CC(n2cc(CNC(=O)c3[nH]nc(C)c3[O-])nn2)C1 ZINC001094283616 826218524 /nfs/dbraw/zinc/21/85/24/826218524.db2.gz ALFJGBACNHJHKY-UHFFFAOYSA-N -1 0 305.342 -0.178 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNc2nccn3nnnc23)c1[O-] ZINC001094389667 826239255 /nfs/dbraw/zinc/23/92/55/826239255.db2.gz MQODCWRZIYHYOI-UHFFFAOYSA-N -1 0 317.313 -0.512 20 0 DBADRM Cc1cc(C)nc(NCCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001094527327 826246273 /nfs/dbraw/zinc/24/62/73/826246273.db2.gz BXVOMMFDXPIPCW-UHFFFAOYSA-N -1 0 321.341 -0.285 20 0 DBADRM Cc1cc(NCCCNC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001094527713 826246767 /nfs/dbraw/zinc/24/67/67/826246767.db2.gz QXBJZBRNRKOFNZ-UHFFFAOYSA-N -1 0 307.314 -0.594 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@H]1CCCO1 ZINC001095148924 826308481 /nfs/dbraw/zinc/30/84/81/826308481.db2.gz LYSCRDIREXHOMC-VPOLOUISSA-N -1 0 307.354 -0.089 20 0 DBADRM CNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C)c1[O-])C2 ZINC001095316225 826316301 /nfs/dbraw/zinc/31/63/01/826316301.db2.gz JPFYSSWNAKFUJP-ZNSHCXBVSA-N -1 0 321.381 -0.107 20 0 DBADRM Cn1nncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001095375731 826320085 /nfs/dbraw/zinc/32/00/85/826320085.db2.gz YSLDRQBZLWVDTA-VGMNWLOBSA-N -1 0 318.341 -0.826 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@]12C[C@H]1COC2 ZINC001095443721 826325305 /nfs/dbraw/zinc/32/53/05/826325305.db2.gz XQQDVBAVFKEEIB-AIGMQPKJSA-N -1 0 319.365 -0.232 20 0 DBADRM Cc1ccc(N(C)CCCNC(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001095781609 826345207 /nfs/dbraw/zinc/34/52/07/826345207.db2.gz GRCCIKCPBDNICS-UHFFFAOYSA-N -1 0 319.325 -0.362 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ncc(F)cn1 ZINC001095781798 826345468 /nfs/dbraw/zinc/34/54/68/826345468.db2.gz UTGGDOCRCUCBOM-UHFFFAOYSA-N -1 0 323.288 -0.532 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1nnc[nH]1 ZINC001096200346 826362044 /nfs/dbraw/zinc/36/20/44/826362044.db2.gz WXQFMLQJUNFZPC-CSMHCCOUSA-N -1 0 304.314 -0.836 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](Nc1ncccn1)C1CC1 ZINC001096703611 826394148 /nfs/dbraw/zinc/39/41/48/826394148.db2.gz OIFZWXLZKCHFAW-VIFPVBQESA-N -1 0 319.325 -0.514 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cnsn1 ZINC001096846185 826400346 /nfs/dbraw/zinc/40/03/46/826400346.db2.gz HZRZWONAKDTPDE-BHNWBGBOSA-N -1 0 321.366 -0.103 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001097630036 826423487 /nfs/dbraw/zinc/42/34/87/826423487.db2.gz VPOZPKUTOFENBC-HLTSFMKQSA-N -1 0 318.341 -0.528 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)Nc2nccn3nnnc23)c1[O-] ZINC001097803866 826435179 /nfs/dbraw/zinc/43/51/79/826435179.db2.gz JAUZXDDBEJBECV-ZCFIWIBFSA-N -1 0 317.313 -0.513 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1ccnnc1 ZINC001097918105 826440889 /nfs/dbraw/zinc/44/08/89/826440889.db2.gz BERHWYFYENICJB-MXWKQRLJSA-N -1 0 315.337 -0.164 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1nnc[nH]1 ZINC001098066726 826447892 /nfs/dbraw/zinc/44/78/92/826447892.db2.gz WXQFMLQJUNFZPC-PRJMDXOYSA-N -1 0 304.314 -0.836 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)Nc1ncccn1 ZINC001098178334 826452643 /nfs/dbraw/zinc/45/26/43/826452643.db2.gz JAVYGFAOLPQKJC-MRVPVSSYSA-N -1 0 304.310 -0.494 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)Nc1ncc(F)cn1 ZINC001098178700 826453399 /nfs/dbraw/zinc/45/33/99/826453399.db2.gz SMPFHYNEOBPLSW-SSDOTTSWSA-N -1 0 322.300 -0.355 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)Nc1cc(F)ncn1 ZINC001098178616 826453520 /nfs/dbraw/zinc/45/35/20/826453520.db2.gz QBIFCTJNUJQTFG-SSDOTTSWSA-N -1 0 322.300 -0.355 20 0 DBADRM CC1(C)CC[C@@H](CNC(=O)C(N)=O)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001099209195 826558506 /nfs/dbraw/zinc/55/85/06/826558506.db2.gz WUDVUPDHDLIHPI-QMMMGPOBSA-N -1 0 310.358 -0.898 20 0 DBADRM O=C(CCC1CC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099753508 826650911 /nfs/dbraw/zinc/65/09/11/826650911.db2.gz VTFVMVGERRBPNB-GHMZBOCLSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(CCCF)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099954505 826744608 /nfs/dbraw/zinc/74/46/08/826744608.db2.gz MZSGBCPFOGJSFJ-RKDXNWHRSA-N -1 0 301.322 -0.689 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1nccnc1F ZINC001100416403 826962079 /nfs/dbraw/zinc/96/20/79/826962079.db2.gz ZZMJTBHDIGVQLZ-UHFFFAOYSA-N -1 0 309.261 -0.922 20 0 DBADRM CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n(C)[n-]1 ZINC001274805003 833128634 /nfs/dbraw/zinc/12/86/34/833128634.db2.gz LIOCSPYADMTTQG-RYUDHWBXSA-N -1 0 321.381 -0.497 20 0 DBADRM COCCOCN1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001274804927 833128746 /nfs/dbraw/zinc/12/87/46/833128746.db2.gz JHHQEZZXEAXRER-NEPJUHHUSA-N -1 0 324.381 -0.108 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)c1cc(C)ncn1 ZINC001100577609 826986374 /nfs/dbraw/zinc/98/63/74/826986374.db2.gz HVZGLRQXAYSPAZ-UHFFFAOYSA-N -1 0 321.341 -0.570 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(C)nn1 ZINC001100765638 827017874 /nfs/dbraw/zinc/01/78/74/827017874.db2.gz RMZAZJHVNYSZBB-UHFFFAOYSA-N -1 0 319.325 -0.362 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CC(NCc2ccon2)C1 ZINC001100920049 827045192 /nfs/dbraw/zinc/04/51/92/827045192.db2.gz ZHTSPKYJSQAERR-UHFFFAOYSA-N -1 0 322.325 -0.638 20 0 DBADRM O=C(NCCN(c1ncccn1)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001101470033 827109321 /nfs/dbraw/zinc/10/93/21/827109321.db2.gz VQWRYXMLYHYQIU-UHFFFAOYSA-N -1 0 317.309 -0.528 20 0 DBADRM CCOC(=O)[C@@H](N)Cc1cn(-c2nccnc2CC(=O)[O-])cn1 ZINC001163416630 833153194 /nfs/dbraw/zinc/15/31/94/833153194.db2.gz QSRVEUMCRVRHPX-JTQLQIEISA-N -1 0 319.321 -0.278 20 0 DBADRM Cc1nccc(NCCN(C)C(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001101887110 827158839 /nfs/dbraw/zinc/15/88/39/827158839.db2.gz UUPALLJOYJMJPB-UHFFFAOYSA-N -1 0 318.337 -0.232 20 0 DBADRM Cc1ccc(NCCN(C)C(=O)c2cnc([O-])n(C)c2=O)nn1 ZINC001101886806 827159105 /nfs/dbraw/zinc/15/91/05/827159105.db2.gz BWXZZHXQFFKTFU-UHFFFAOYSA-N -1 0 318.337 -0.232 20 0 DBADRM Cc1cc(NCCN(C)C(=O)c2cnc([O-])n(C)c2=O)ncn1 ZINC001101886868 827159379 /nfs/dbraw/zinc/15/93/79/827159379.db2.gz HBHYJNJHIIROLD-UHFFFAOYSA-N -1 0 318.337 -0.232 20 0 DBADRM Cc1cc(NCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)nc(C)n1 ZINC001102050209 827182098 /nfs/dbraw/zinc/18/20/98/827182098.db2.gz BFYAQPQGOALJNR-UHFFFAOYSA-N -1 0 319.325 -0.126 20 0 DBADRM C[C@]1(c2cccnc2N[C@@H]2SC(=O)[N-]C2=O)NC(=O)NC1=O ZINC001163664743 833162420 /nfs/dbraw/zinc/16/24/20/833162420.db2.gz JLMCBCYXXPPMPF-PRHODGIISA-N -1 0 321.318 -0.143 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1ncccn1 ZINC001103158788 827268955 /nfs/dbraw/zinc/26/89/55/827268955.db2.gz PWAYUUKKHNKRMV-QMMMGPOBSA-N -1 0 307.314 -0.514 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1nccc(C)n1 ZINC001103158566 827269720 /nfs/dbraw/zinc/26/97/20/827269720.db2.gz JLNWZNFDSDAHKW-VIFPVBQESA-N -1 0 321.341 -0.205 20 0 DBADRM C[C@H](NC(=O)c1c[n-]n2c1nccc2=O)C1N=NC(=O)N1C ZINC001163837039 833172801 /nfs/dbraw/zinc/17/28/01/833172801.db2.gz XXPHGIKVPCHOLS-LURJTMIESA-N -1 0 303.282 -0.652 20 0 DBADRM NC(=O)c1nnc2n1CCN(C(=O)c1c([O-])cccc1F)C2 ZINC001275363270 833172819 /nfs/dbraw/zinc/17/28/19/833172819.db2.gz ZKWGPDWKOZZQMZ-UHFFFAOYSA-N -1 0 305.269 -0.122 20 0 DBADRM CC[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)Nc1ncccn1 ZINC001103257511 827274176 /nfs/dbraw/zinc/27/41/76/827274176.db2.gz ARHHUSNDAFQZPT-SECBINFHSA-N -1 0 318.337 -0.104 20 0 DBADRM Cn1[n-]c(C(=O)N2CC[C@@H](C(N)=O)n3nccc3C2)cc1=O ZINC001275609938 833193708 /nfs/dbraw/zinc/19/37/08/833193708.db2.gz IRYJAINPXNXTCC-JTQLQIEISA-N -1 0 304.310 -0.605 20 0 DBADRM C[C@H]1c2ncc(CC(N)=O)n2CCN1C(=O)c1cc(=O)n(C)[n-]1 ZINC001275609862 833193762 /nfs/dbraw/zinc/19/37/62/833193762.db2.gz FOQBOPVNUGQVRU-QMMMGPOBSA-N -1 0 318.337 -0.433 20 0 DBADRM Cn1[n-]c(C(=O)N2C[C@H]3C[C@@]3(C(=O)Nc3nnco3)C2)cc1=O ZINC001275609914 833193844 /nfs/dbraw/zinc/19/38/44/833193844.db2.gz IFSFWVZGHFRTBX-FUXBKTLASA-N -1 0 318.293 -0.391 20 0 DBADRM C[C@@H](CNc1cnc(F)cn1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001104881659 827377623 /nfs/dbraw/zinc/37/76/23/827377623.db2.gz QWJJBKSYZNMMEU-LURJTMIESA-N -1 0 323.288 -0.216 20 0 DBADRM Cn1[n-]c(C(=O)N2C[C@H]3C[C@@]3(C(=O)NCC(F)F)C2)cc1=O ZINC001275609785 833193508 /nfs/dbraw/zinc/19/35/08/833193508.db2.gz CIQMFMXMIYEIBP-FUXBKTLASA-N -1 0 314.292 -0.031 20 0 DBADRM Cc1ccnc(N(C)CCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001105614490 827460593 /nfs/dbraw/zinc/46/05/93/827460593.db2.gz XAZQNQCSTCIMMB-UHFFFAOYSA-N -1 0 319.325 -0.410 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNc2nccnc2F)c1[O-] ZINC001105823017 827524428 /nfs/dbraw/zinc/52/44/28/827524428.db2.gz YGRFYVAIAPWSPO-ZETCQYMHSA-N -1 0 310.289 -0.444 20 0 DBADRM O=C(NC12CC(C(=O)N3CC=CC3)(C1)C2)c1c[nH]c(=O)c(=O)[n-]1 ZINC001275820524 833211786 /nfs/dbraw/zinc/21/17/86/833211786.db2.gz LNYXNFHYBLJHAJ-UHFFFAOYSA-N -1 0 316.317 -0.886 20 0 DBADRM CC(C)(C)NC(=O)[C@]12C[C@H]1CCN2C(=O)c1c[nH]c(=O)c(=O)[n-]1 ZINC001275820880 833212148 /nfs/dbraw/zinc/21/21/48/833212148.db2.gz ZGUQYUOCNKQFNX-GLEZIHRCSA-N -1 0 320.349 -0.418 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCOC[C@H](O)C2)nc1 ZINC001164519487 833215535 /nfs/dbraw/zinc/21/55/35/833215535.db2.gz ZPCJMTDXBPFNRP-SNVBAGLBSA-N -1 0 315.351 -0.896 20 0 DBADRM CCN(CCNc1ncccn1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001106813659 827679268 /nfs/dbraw/zinc/67/92/68/827679268.db2.gz MLJFNHOCQBNZID-UHFFFAOYSA-N -1 0 307.314 -0.560 20 0 DBADRM CN(C)C(=O)C[C@@H]1C[C@@H]2CN(C(=O)c3cc(=O)[nH][n-]3)C[C@@H]2O1 ZINC001276023124 833235468 /nfs/dbraw/zinc/23/54/68/833235468.db2.gz PSQAWQWOVIWCOE-YWVKMMECSA-N -1 0 308.338 -0.177 20 0 DBADRM Cn1ccnc1NC(=O)[C@H]1CC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276019317 833235537 /nfs/dbraw/zinc/23/55/37/833235537.db2.gz NJAFCVDPMSZDFE-MRVPVSSYSA-N -1 0 316.321 -0.050 20 0 DBADRM CN(C)C(=O)c1cn2c(n1)CN(C(=O)c1cc(=O)[nH][n-]1)CC2 ZINC001276022506 833235894 /nfs/dbraw/zinc/23/58/94/833235894.db2.gz ITPIREOHDCHMCI-UHFFFAOYSA-N -1 0 304.310 -0.330 20 0 DBADRM CN(C)C(=O)c1n[nH]c2c1CN(C(=O)c1cc(=O)[nH][n-]1)CC2 ZINC001276022508 833236064 /nfs/dbraw/zinc/23/60/64/833236064.db2.gz ITWAASIBAWAVEO-UHFFFAOYSA-N -1 0 304.310 -0.261 20 0 DBADRM COCCN(C)C(=O)[C@H]1CC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276025046 833236822 /nfs/dbraw/zinc/23/68/22/833236822.db2.gz KXMIZHZVFRSQFC-SECBINFHSA-N -1 0 308.338 -0.318 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC/C=C\CNc1ncc(F)cn1 ZINC001107286824 827738015 /nfs/dbraw/zinc/73/80/15/827738015.db2.gz FWRXDVMQNDJVAW-UPHRSURJSA-N -1 0 323.288 -0.597 20 0 DBADRM O=C(NCC=CCNc1nccnc1F)c1n[nH]c(=O)[n-]c1=O ZINC001107604996 827756349 /nfs/dbraw/zinc/75/63/49/827756349.db2.gz QYDILTOGFNYXQW-OWOJBTEDSA-N -1 0 321.272 -0.390 20 0 DBADRM CCOCC(=O)NC[C@@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107713101 827774904 /nfs/dbraw/zinc/77/49/04/827774904.db2.gz FVMXPQFIAFZGNA-ZDUSSCGKSA-N -1 0 313.358 -0.746 20 0 DBADRM C[C@]1(CNC(=O)c2ccon2)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107772884 827790868 /nfs/dbraw/zinc/79/08/68/827790868.db2.gz FMBIOYYTBJOHKG-ZDUSSCGKSA-N -1 0 322.325 -0.481 20 0 DBADRM C[C@@]1(CNC(=O)c2ccon2)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107772883 827791154 /nfs/dbraw/zinc/79/11/54/827791154.db2.gz FMBIOYYTBJOHKG-CYBMUJFWSA-N -1 0 322.325 -0.481 20 0 DBADRM C[C@]1(CNC(=O)c2ncc[nH]2)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107928470 827840312 /nfs/dbraw/zinc/84/03/12/827840312.db2.gz FCFUWUIAUXMKAT-ZDUSSCGKSA-N -1 0 321.341 -0.746 20 0 DBADRM C[C@@]1(CNC(=O)c2ncc[nH]2)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107928469 827840394 /nfs/dbraw/zinc/84/03/94/827840394.db2.gz FCFUWUIAUXMKAT-CYBMUJFWSA-N -1 0 321.341 -0.746 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001108134461 827902473 /nfs/dbraw/zinc/90/24/73/827902473.db2.gz NKINCPGBNRDBLM-PKFCDNJMSA-N -1 0 309.370 -0.127 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001108134460 827902838 /nfs/dbraw/zinc/90/28/38/827902838.db2.gz NKINCPGBNRDBLM-BHDSKKPTSA-N -1 0 309.370 -0.127 20 0 DBADRM C[C@H](CNc1nccnc1F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001108208311 827920098 /nfs/dbraw/zinc/92/00/98/827920098.db2.gz CPKNHNPWNMZVBF-RXMQYKEDSA-N -1 0 309.261 -0.558 20 0 DBADRM Cc1cc(NC[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001108208522 827920907 /nfs/dbraw/zinc/92/09/07/827920907.db2.gz KPGLXLKILOVFOT-SSDOTTSWSA-N -1 0 305.298 -0.388 20 0 DBADRM Cc1nccc(NC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001108466211 827979847 /nfs/dbraw/zinc/97/98/47/827979847.db2.gz SFPBZQPSNWOEEW-ZETCQYMHSA-N -1 0 307.314 -0.595 20 0 DBADRM Cc1nccc(NC[C@H](C)NC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001108634729 828032529 /nfs/dbraw/zinc/03/25/29/828032529.db2.gz UHRNPEPKKYKCJR-QMMMGPOBSA-N -1 0 318.337 -0.185 20 0 DBADRM COC(=O)[C@H](C)N(C)c1ccc(S(=O)(=O)[N-]C(C)=O)cn1 ZINC001167114215 833291201 /nfs/dbraw/zinc/29/12/01/833291201.db2.gz SUBYVOQLFBMCED-QMMMGPOBSA-N -1 0 315.351 -0.096 20 0 DBADRM C[C@@H](CN(C)c1ncccn1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001109176442 828095453 /nfs/dbraw/zinc/09/54/53/828095453.db2.gz VTZPGTGFOYNOPA-VIFPVBQESA-N -1 0 318.337 -0.469 20 0 DBADRM Cc1cc(NCCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001109665834 828128937 /nfs/dbraw/zinc/12/89/37/828128937.db2.gz PXAOJOGOJUUHGQ-UHFFFAOYSA-N -1 0 319.325 -0.045 20 0 DBADRM CN(CCCNc1ncccn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001109665523 828129082 /nfs/dbraw/zinc/12/90/82/828129082.db2.gz DHHGQKFQNMBHGB-UHFFFAOYSA-N -1 0 305.298 -0.353 20 0 DBADRM Cc1cc(NC2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)ncn1 ZINC001110195677 828157043 /nfs/dbraw/zinc/15/70/43/828157043.db2.gz VNASAWWOYWLFDW-UHFFFAOYSA-N -1 0 319.325 -0.451 20 0 DBADRM COC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110334092 828171600 /nfs/dbraw/zinc/17/16/00/828171600.db2.gz ZLRGGMJVDXYSHH-HLTSFMKQSA-N -1 0 324.341 -0.912 20 0 DBADRM O=C(NCC1(Nc2nccnc2F)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001110406601 828176992 /nfs/dbraw/zinc/17/69/92/828176992.db2.gz VWDLFJJICJHGBW-UHFFFAOYSA-N -1 0 321.272 -0.414 20 0 DBADRM Cc1nc(N)nc2c1nc(N[C@@H]1CO[N-]C1=O)c(=O)n2C(C)C ZINC001167515580 833301930 /nfs/dbraw/zinc/30/19/30/833301930.db2.gz AZNHCJJJSBOQBH-SSDOTTSWSA-N -1 0 319.325 -0.500 20 0 DBADRM COC(=O)C1CCN(c2ncc(N[C@@H]3CO[N-]C3=O)cn2)CC1 ZINC001167515570 833302048 /nfs/dbraw/zinc/30/20/48/833302048.db2.gz ACFYOZDAVYZQFC-LLVKDONJSA-N -1 0 321.337 -0.292 20 0 DBADRM C[C@]1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(c2ncccn2)C1 ZINC001110773300 828199448 /nfs/dbraw/zinc/19/94/48/828199448.db2.gz FTJDRNAJLZFILZ-ZDUSSCGKSA-N -1 0 319.325 -0.736 20 0 DBADRM CC(=O)Nc1ccnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001167858266 833311632 /nfs/dbraw/zinc/31/16/32/833311632.db2.gz NFJHGFOZWQJMRY-WKEGUHRASA-N -1 0 314.323 -0.146 20 0 DBADRM COC(=O)c1ccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc1 ZINC001167858440 833311662 /nfs/dbraw/zinc/31/16/62/833311662.db2.gz PCNPCSZFNYSEHF-RCOVLWMOSA-N -1 0 315.307 -0.318 20 0 DBADRM C[C@H]1[C@H](Nc2ncnc3c2COCC3)C(=O)N1S(=O)(=O)[O-] ZINC001167857445 833311678 /nfs/dbraw/zinc/31/16/78/833311678.db2.gz BXCFUGZAZZUWMK-RCOVLWMOSA-N -1 0 314.323 -0.637 20 0 DBADRM COC(=O)c1cncc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001167861524 833311916 /nfs/dbraw/zinc/31/19/16/833311916.db2.gz SMPYOUHUWKMHGQ-XNCJUZBTSA-N -1 0 316.295 -0.923 20 0 DBADRM C[C@H]1[C@H](Nc2ccc3nnn(C)c3c2)C(=O)N1S(=O)(=O)[O-] ZINC001167861166 833312018 /nfs/dbraw/zinc/31/20/18/833312018.db2.gz LHYBWYAELDWTCS-WKEGUHRASA-N -1 0 311.323 -0.218 20 0 DBADRM CNC(=O)c1cccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001167858825 833312087 /nfs/dbraw/zinc/31/20/87/833312087.db2.gz SNEYJDPRWCJLLU-RCOVLWMOSA-N -1 0 314.323 -0.745 20 0 DBADRM COC(=O)c1cnccc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167862549 833312356 /nfs/dbraw/zinc/31/23/56/833312356.db2.gz YRSOWPGHVKCHPL-RCOVLWMOSA-N -1 0 315.307 -0.896 20 0 DBADRM O=C([O-])c1nnc(NC(CO)(CO)CO)cc1C(F)(F)F ZINC001167928285 833313730 /nfs/dbraw/zinc/31/37/30/833313730.db2.gz HXTPCXMMGWTFBT-UHFFFAOYSA-N -1 0 311.216 -0.679 20 0 DBADRM CCC(CO)(CO)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001167971098 833315148 /nfs/dbraw/zinc/31/51/48/833315148.db2.gz CLZHBYUGSWCKOS-UHFFFAOYSA-N -1 0 300.336 -0.336 20 0 DBADRM CN(C(=O)c1ccc(CN2C(=O)CNC2=O)cc1)c1nnn[n-]1 ZINC001168359766 833323522 /nfs/dbraw/zinc/32/35/22/833323522.db2.gz VBHPNUGGFMSRAN-UHFFFAOYSA-N -1 0 315.293 -0.472 20 0 DBADRM Cc1ccnc(N[C@@H](C)CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001115801714 828865630 /nfs/dbraw/zinc/86/56/30/828865630.db2.gz NZMWBPYSSMCYIY-VIFPVBQESA-N -1 0 321.341 -0.253 20 0 DBADRM C[C@@]1(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)CCNC1=O ZINC001168695130 833326729 /nfs/dbraw/zinc/32/67/29/833326729.db2.gz QIKBHPHACHOVIR-QMTHXVAHSA-N -1 0 300.322 -0.069 20 0 DBADRM O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1n[nH]c(=O)[n-]1 ZINC001116114703 828878022 /nfs/dbraw/zinc/87/80/22/828878022.db2.gz ANOQLRMHJYISKW-MRVPVSSYSA-N -1 0 315.289 -0.032 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2ccccc2S(C)(=O)=O)C1=O ZINC001116449702 828894961 /nfs/dbraw/zinc/89/49/61/828894961.db2.gz WPBLVACKAKPDJS-UHFFFAOYSA-N -1 0 311.319 -0.371 20 0 DBADRM O=C(Cn1cc(-c2ccccc2)nn1)NCc1nc(=O)o[n-]1 ZINC001116447055 828895349 /nfs/dbraw/zinc/89/53/49/828895349.db2.gz SQGLKRBZCKVNJB-UHFFFAOYSA-N -1 0 300.278 -0.062 20 0 DBADRM Cn1c2cccc(C(=O)[N-]n3ccc(=O)[nH]c3=O)c2oc1=O ZINC001168868250 833329905 /nfs/dbraw/zinc/32/99/05/833329905.db2.gz AZBOFTNGUJWNMX-UHFFFAOYSA-N -1 0 302.246 -0.222 20 0 DBADRM COCc1noc(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001116496299 828897844 /nfs/dbraw/zinc/89/78/44/828897844.db2.gz ZUURFDPTORSKIZ-UHFFFAOYSA-N -1 0 320.265 -0.656 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC001116481746 828897983 /nfs/dbraw/zinc/89/79/83/828897983.db2.gz UUMIYMITSSRAEK-UHFFFAOYSA-N -1 0 319.277 -0.464 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001116625682 828904494 /nfs/dbraw/zinc/90/44/94/828904494.db2.gz NVPSRVMPSOPXSO-NQHOJNORSA-N -1 0 307.306 -0.594 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC001116642187 828905414 /nfs/dbraw/zinc/90/54/14/828905414.db2.gz OWBYVFCBWGEHAX-UHFFFAOYSA-N -1 0 309.322 -0.263 20 0 DBADRM CCOC([O-])=NC(=S)N=c1[nH]cccc1-n1nnnc1CN ZINC001168924497 833331400 /nfs/dbraw/zinc/33/14/00/833331400.db2.gz ZWFLYXXQLIEIAU-UHFFFAOYSA-N -1 0 322.354 -0.041 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cc(N3CCOCC3)ccn2)C1=O ZINC001116727505 828910172 /nfs/dbraw/zinc/91/01/72/828910172.db2.gz VKYUJQDRCJHFIW-UHFFFAOYSA-N -1 0 319.321 -0.543 20 0 DBADRM CCn1ncc2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc21 ZINC001116734993 828910900 /nfs/dbraw/zinc/91/09/00/828910900.db2.gz HIRXYWDQVBZBAZ-UHFFFAOYSA-N -1 0 305.294 -0.472 20 0 DBADRM Cc1nc2cc(NC(=O)C(=O)[N-]OCC(N)=O)ccc2n1C ZINC001116735119 828910944 /nfs/dbraw/zinc/91/09/44/828910944.db2.gz MHHNDBDTDBXURJ-UHFFFAOYSA-N -1 0 305.294 -0.647 20 0 DBADRM CC(=O)NCCCCCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001116775706 828912820 /nfs/dbraw/zinc/91/28/20/828912820.db2.gz QKOWKDCJODKFLM-UHFFFAOYSA-N -1 0 321.399 -0.735 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(OC(F)F)nc1 ZINC001116953336 828922608 /nfs/dbraw/zinc/92/26/08/828922608.db2.gz KJJLGWIJRAYLHM-UHFFFAOYSA-N -1 0 304.209 -0.845 20 0 DBADRM CN1CCOC[C@@H]1CNc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001169658504 833343777 /nfs/dbraw/zinc/34/37/77/833343777.db2.gz XXISUOYFKTULAR-JTQLQIEISA-N -1 0 311.363 -0.139 20 0 DBADRM O=C([N-]OC1CCCCC1)C(=O)NCCN1C(=O)CCC1=O ZINC001117325661 828962005 /nfs/dbraw/zinc/96/20/05/828962005.db2.gz UTQWVAVSKMFJSA-UHFFFAOYSA-N -1 0 311.338 -0.368 20 0 DBADRM CC(C)(C)[S@](=O)CCNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001117365343 828968227 /nfs/dbraw/zinc/96/82/27/828968227.db2.gz GJTPJYDBYYOMDP-OAQYLSRUSA-N -1 0 320.411 -0.123 20 0 DBADRM CC(C)(CCCO)CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001117473797 828983093 /nfs/dbraw/zinc/98/30/93/828983093.db2.gz DCDKSCPROMJISW-LLVKDONJSA-N -1 0 302.371 -0.014 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC001117538483 828990086 /nfs/dbraw/zinc/99/00/86/828990086.db2.gz VOCNBQCXQDESET-UHFFFAOYSA-N -1 0 306.384 -0.369 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001117573018 828993595 /nfs/dbraw/zinc/99/35/95/828993595.db2.gz AVVZALWRQYSAPZ-MNOVXSKESA-N -1 0 313.354 -0.756 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)[N-]OCCOC)[C@]12CCCO2 ZINC001117596794 828996195 /nfs/dbraw/zinc/99/61/95/828996195.db2.gz WCHOWHXVLKAUJN-MISXGVKJSA-N -1 0 316.354 -0.477 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)[N-]OCCOC)[C@]12CCCO2 ZINC001117596792 828996286 /nfs/dbraw/zinc/99/62/86/828996286.db2.gz WCHOWHXVLKAUJN-JTNHKYCSSA-N -1 0 316.354 -0.477 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCCNC(=O)C(C)C ZINC001117624314 829000250 /nfs/dbraw/zinc/00/02/50/829000250.db2.gz ODUGXMNPMNQKLK-UHFFFAOYSA-N -1 0 305.400 -0.324 20 0 DBADRM NS(=O)(=O)c1ccc(O)c(NC(=O)c2cc3n(n2)CCO3)c1 ZINC001117710562 829009994 /nfs/dbraw/zinc/00/99/94/829009994.db2.gz YTQYICXSENYNPX-UHFFFAOYSA-N -1 0 324.318 -0.119 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)C[C@H]1C(=O)[O-] ZINC001118178685 829045004 /nfs/dbraw/zinc/04/50/04/829045004.db2.gz FDGHEYOSSHLWMA-SIVJFFJCSA-N -1 0 324.377 -0.071 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001118190522 829047222 /nfs/dbraw/zinc/04/72/22/829047222.db2.gz KEPZQYONKOOZJS-UHFFFAOYSA-N -1 0 324.337 -0.668 20 0 DBADRM O=C(c1ccc2nc[nH]c2n1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001170376029 833351962 /nfs/dbraw/zinc/35/19/62/833351962.db2.gz SOKVXPSBJOGMQT-SECBINFHSA-N -1 0 300.282 -0.315 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NCCCc1ncn(C)n1)C(=O)[O-] ZINC001118191211 829048369 /nfs/dbraw/zinc/04/83/69/829048369.db2.gz VTKMSBXWDVVIIS-SECBINFHSA-N -1 0 311.342 -0.957 20 0 DBADRM NS(=O)(=O)c1ccc(NCCOCCCO)c(C(=O)[O-])c1 ZINC001118222098 829052323 /nfs/dbraw/zinc/05/23/23/829052323.db2.gz PHUALCLGTFRPKA-UHFFFAOYSA-N -1 0 318.351 -0.157 20 0 DBADRM COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H](C)C(=O)[O-] ZINC001118238010 829053969 /nfs/dbraw/zinc/05/39/69/829053969.db2.gz SVRPBRSFBFHTQK-SNVBAGLBSA-N -1 0 302.327 -0.959 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CCCN1C(=O)CCC1=O)C(=O)[O-] ZINC001118261060 829057723 /nfs/dbraw/zinc/05/77/23/829057723.db2.gz RLUXQNPLYLDEBE-CYBMUJFWSA-N -1 0 322.321 -0.409 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@]1(C)CCCO ZINC001118301967 829065165 /nfs/dbraw/zinc/06/51/65/829065165.db2.gz XEZPOWHWKDOBBU-AWEZNQCLSA-N -1 0 315.370 -0.676 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)CCC1 ZINC001118314802 829068035 /nfs/dbraw/zinc/06/80/35/829068035.db2.gz ZPUQXXTXYYCGHK-UHFFFAOYSA-N -1 0 314.367 -0.718 20 0 DBADRM CNC(=O)C1CCC(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC001118325115 829069183 /nfs/dbraw/zinc/06/91/83/829069183.db2.gz ASIQFDZCMYKCMZ-IDKOKCKLSA-N -1 0 313.354 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC001118335556 829071878 /nfs/dbraw/zinc/07/18/78/829071878.db2.gz ZDRGKEFWPUVFOF-UHFFFAOYSA-N -1 0 315.351 -0.940 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cn2ccccc2n1 ZINC001118342762 829072819 /nfs/dbraw/zinc/07/28/19/829072819.db2.gz JIFYJBZFEONJRH-UHFFFAOYSA-N -1 0 319.321 -0.866 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1ncnn1C(C)(C)C)C(=O)[O-] ZINC001118389640 829078585 /nfs/dbraw/zinc/07/85/85/829078585.db2.gz OCIYMXZHFDQHFQ-QMMMGPOBSA-N -1 0 311.342 -0.514 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cccc1C(N)=O ZINC001118389616 829078678 /nfs/dbraw/zinc/07/86/78/829078678.db2.gz NHVVFTDEGILCEJ-SSDOTTSWSA-N -1 0 307.306 -0.131 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1nnc(C2CC2)s1)C(=O)[O-] ZINC001118390886 829079241 /nfs/dbraw/zinc/07/92/41/829079241.db2.gz ZNGOGMKFLUPIPS-ZCFIWIBFSA-N -1 0 312.351 -0.131 20 0 DBADRM Cc1noc(C2CN(C(=O)C(=O)NCC3(C(=O)[O-])CCC3)C2)n1 ZINC001118483383 829090476 /nfs/dbraw/zinc/09/04/76/829090476.db2.gz WZWXXOFHHXKARU-UHFFFAOYSA-N -1 0 322.321 -0.325 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@H](OC)[C@H]1CCOC1 ZINC001118542919 829102381 /nfs/dbraw/zinc/10/23/81/829102381.db2.gz ZAKQCOLLWFHCRN-WDEREUQCSA-N -1 0 309.384 -0.090 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001118541706 829102485 /nfs/dbraw/zinc/10/24/85/829102485.db2.gz JQCIWCKPIABHPO-RMLUDKJBSA-N -1 0 323.305 -0.626 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC001118549278 829103739 /nfs/dbraw/zinc/10/37/39/829103739.db2.gz YEZHCBXCHGLHIO-UWVGGRQHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCC3=C(CCC(=O)N3)C2)C1 ZINC001118572595 829106562 /nfs/dbraw/zinc/10/65/62/829106562.db2.gz UAJQZZRXFNJNQY-JTQLQIEISA-N -1 0 321.333 -0.684 20 0 DBADRM CCOC(=O)CN(CC[NH3+])c1ccc(P(=O)([O-])[O-])cc1 ZINC001170996234 833363931 /nfs/dbraw/zinc/36/39/31/833363931.db2.gz MFCFMUQPVPGUGP-UHFFFAOYSA-N -1 0 302.267 -0.182 20 0 DBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC001118757066 829130184 /nfs/dbraw/zinc/13/01/84/829130184.db2.gz DQFOAQZKTKEVCD-WDEREUQCSA-N -1 0 313.354 -0.388 20 0 DBADRM CCn1nc(C)c(CNC(=O)c2c[n-]n3c2nccc3=O)n1 ZINC001118800099 829134736 /nfs/dbraw/zinc/13/47/36/829134736.db2.gz HIAVVNMLSGGGIF-UHFFFAOYSA-N -1 0 301.310 -0.128 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1[O-] ZINC001118834913 829138674 /nfs/dbraw/zinc/13/86/74/829138674.db2.gz FSZYWCOHMRAASG-CQSZACIVSA-N -1 0 321.337 -0.126 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cnn(CCF)c2)CCO1 ZINC001118846040 829139551 /nfs/dbraw/zinc/13/95/51/829139551.db2.gz DZNHRYRAZWAOAJ-SECBINFHSA-N -1 0 314.273 -0.897 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ncn(C)n1 ZINC001118862188 829141018 /nfs/dbraw/zinc/14/10/18/829141018.db2.gz VEUVRZHUROXTIQ-LPEHRKFASA-N -1 0 323.353 -0.439 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(C3CC3)C2)CC[C@@H]1C(=O)[O-] ZINC001118899865 829150514 /nfs/dbraw/zinc/15/05/14/829150514.db2.gz DZRTVRBRTPQROP-RSAASHCRSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2nccn2C)CC[C@H]1C(=O)[O-] ZINC001118921118 829153342 /nfs/dbraw/zinc/15/33/42/829153342.db2.gz KLAHDIPVUNFHSY-NXEZZACHSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CCCCO)CC[C@@H]1C(=O)[O-] ZINC001118958248 829198262 /nfs/dbraw/zinc/19/82/62/829198262.db2.gz CDDKIBWJTZDTNO-MNOVXSKESA-N -1 0 300.355 -0.214 20 0 DBADRM Cn1c(C=O)ccc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001119057378 829210952 /nfs/dbraw/zinc/21/09/52/829210952.db2.gz IYEHWNBKAOSWRL-SNVBAGLBSA-N -1 0 314.319 -0.839 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC001119094818 829218047 /nfs/dbraw/zinc/21/80/47/829218047.db2.gz XOZVPJBNGOKEAD-UHFFFAOYSA-N -1 0 320.349 -0.029 20 0 DBADRM O=C([N-]OC1CCOCC1)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001119102743 829219221 /nfs/dbraw/zinc/21/92/21/829219221.db2.gz NOYOEIHQDXCXRG-JQWIXIFHSA-N -1 0 308.338 -0.357 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001119247719 829240497 /nfs/dbraw/zinc/24/04/97/829240497.db2.gz KZNDFHBQLYYHIG-UHFFFAOYSA-N -1 0 309.248 -0.086 20 0 DBADRM O=c1cc(CN2CCO[C@@H](Cn3ccnn3)C2)nc2cc[n-]n21 ZINC001119313090 829248382 /nfs/dbraw/zinc/24/83/82/829248382.db2.gz QKUVLWUXFPTYBL-GFCCVEGCSA-N -1 0 315.337 -0.485 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCC2(C1)CCOCC2 ZINC001119340949 829249554 /nfs/dbraw/zinc/24/95/54/829249554.db2.gz FOWOVFVIENIUHH-XYPYZODXSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@H]([C@H]2CCCO2)C1 ZINC001119398499 829257417 /nfs/dbraw/zinc/25/74/17/829257417.db2.gz XIMGVJDXSPMQPI-FIQHERPVSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCN(CC(F)F)CC1 ZINC001119397840 829257718 /nfs/dbraw/zinc/25/77/18/829257718.db2.gz KJZLBGSCDCVLHC-UHFFFAOYSA-N -1 0 321.324 -0.233 20 0 DBADRM CO[C@@]1(C(=O)[N-]OCc2cccnc2)CCS(=O)(=O)C1 ZINC001119529533 829272109 /nfs/dbraw/zinc/27/21/09/829272109.db2.gz CXGQEEGVFUICOK-LBPRGKRZSA-N -1 0 300.336 -0.167 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC001119598652 829280782 /nfs/dbraw/zinc/28/07/82/829280782.db2.gz ULQOJIUSNRFFPB-NSHDSACASA-N -1 0 302.371 -0.097 20 0 DBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccncc1F ZINC001175196982 833387910 /nfs/dbraw/zinc/38/79/10/833387910.db2.gz HLZHNCSSKXGYPT-UHFFFAOYSA-N -1 0 316.274 -0.768 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(F)cc1F ZINC001119747669 829298806 /nfs/dbraw/zinc/29/88/06/829298806.db2.gz ZRFSBTCHLOWFLK-UHFFFAOYSA-N -1 0 301.249 -0.625 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC001119809196 829308203 /nfs/dbraw/zinc/30/82/03/829308203.db2.gz NCIUVGTXAUVWLB-LURJTMIESA-N -1 0 312.153 -0.520 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@@H]1c1cccn1C ZINC001119848358 829313260 /nfs/dbraw/zinc/31/32/60/829313260.db2.gz MSXRSGMMCSYGCV-GFCCVEGCSA-N -1 0 322.365 -0.128 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC(Cc2ccccc2)C1 ZINC001119848947 829313416 /nfs/dbraw/zinc/31/34/16/829313416.db2.gz SQALSEDWYPBUHV-UHFFFAOYSA-N -1 0 305.334 -0.519 20 0 DBADRM O=C([N-]OC1CCCCC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001120281986 829347130 /nfs/dbraw/zinc/34/71/30/829347130.db2.gz PQSUBNRNPJQEPA-VIFPVBQESA-N -1 0 304.368 -0.330 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC2(CC2(F)F)CC1 ZINC001120285837 829348518 /nfs/dbraw/zinc/34/85/18/829348518.db2.gz RIKVPKHIQWZKJC-UHFFFAOYSA-N -1 0 302.285 -0.024 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@H]2CSC[C@H]2C1 ZINC001120301814 829348985 /nfs/dbraw/zinc/34/89/85/829348985.db2.gz UQDVCGJLFZKGMM-VHSXEESVSA-N -1 0 312.399 -0.070 20 0 DBADRM Cc1noc(C)c1-n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001176179064 833401943 /nfs/dbraw/zinc/40/19/43/833401943.db2.gz PNBKLJOIUNDKHQ-UHFFFAOYSA-N -1 0 316.299 -0.697 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ncccn1 ZINC001120928876 829411898 /nfs/dbraw/zinc/41/18/98/829411898.db2.gz QURZVINRMZUSIX-SSDOTTSWSA-N -1 0 305.298 -0.355 20 0 DBADRM O=C(CCc1nc(-c2cccnc2)no1)N[C@@H]1CO[N-]C1=O ZINC001176784568 833420265 /nfs/dbraw/zinc/42/02/65/833420265.db2.gz PMRVNXIHCNOICV-SECBINFHSA-N -1 0 303.278 -0.390 20 0 DBADRM COc1ccnc(N[C@@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001121455953 829484105 /nfs/dbraw/zinc/48/41/05/829484105.db2.gz SSBLHQGBJQTRQS-MRVPVSSYSA-N -1 0 322.325 -0.575 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)Nc2nccnc2F)c1[O-] ZINC001121453592 829484292 /nfs/dbraw/zinc/48/42/92/829484292.db2.gz CQIOOAOTPJUJHI-ZETCQYMHSA-N -1 0 310.289 -0.444 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)Nc2ccnc(C)n2)c1[O-] ZINC001121454415 829484620 /nfs/dbraw/zinc/48/46/20/829484620.db2.gz JWOACDKLEGDVAO-VIFPVBQESA-N -1 0 306.326 -0.275 20 0 DBADRM NC(=O)c1nnc2n1CCN(C(=O)c1ccnc(Cl)c1[O-])C2 ZINC001276260371 833415141 /nfs/dbraw/zinc/41/51/41/833415141.db2.gz BGQURGUFICLEDV-UHFFFAOYSA-N -1 0 322.712 -0.213 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)[C@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176668634 833416040 /nfs/dbraw/zinc/41/60/40/833416040.db2.gz RKDWKLSMAGVFHR-MFXDVPHUSA-N -1 0 324.318 -0.582 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176684945 833417242 /nfs/dbraw/zinc/41/72/42/833417242.db2.gz QQXCXRIWIROJPA-RXMQYKEDSA-N -1 0 306.282 -0.867 20 0 DBADRM CO[C@H]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001121816715 829516278 /nfs/dbraw/zinc/51/62/78/829516278.db2.gz DXBQVZLQUGTZEQ-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)NC1(c2nnn[n-]2)CCC1 ZINC001176717051 833418236 /nfs/dbraw/zinc/41/82/36/833418236.db2.gz QWMGXVNKRVCOGT-UHFFFAOYSA-N -1 0 307.314 -0.973 20 0 DBADRM Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)Cc4nnn[n-]4)C[C@H]3O2)n1 ZINC001176840159 833421727 /nfs/dbraw/zinc/42/17/27/833421727.db2.gz LTKLRFWAKVKERD-LPEHRKFASA-N -1 0 319.325 -0.188 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001176840091 833421903 /nfs/dbraw/zinc/42/19/03/833421903.db2.gz GWMNETWNYVSNEY-UHFFFAOYSA-N -1 0 314.309 -0.440 20 0 DBADRM O=C(Cc1nnn[n-]1)Nc1ncnc2c1ncn2[C@@H]1CCCO1 ZINC001176837978 833422124 /nfs/dbraw/zinc/42/21/24/833422124.db2.gz NZGUKHNDUKZUHZ-VIFPVBQESA-N -1 0 315.297 -0.170 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001176839753 833422199 /nfs/dbraw/zinc/42/21/99/833422199.db2.gz BRRDIFXIIVZJSV-NSHDSACASA-N -1 0 306.370 -0.007 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001176842739 833423460 /nfs/dbraw/zinc/42/34/60/833423460.db2.gz QGKHXLHEAFAKQN-UHFFFAOYSA-N -1 0 318.381 -0.007 20 0 DBADRM CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)Cc2nnn[n-]2)CC1 ZINC001176847017 833424635 /nfs/dbraw/zinc/42/46/35/833424635.db2.gz FAUXXKLOOZKVNE-UHFFFAOYSA-N -1 0 308.386 -0.062 20 0 DBADRM COc1ccc2c(c1)NC(=O)C[C@@H]2CNC(=O)Cc1nnn[n-]1 ZINC001176844541 833424905 /nfs/dbraw/zinc/42/49/05/833424905.db2.gz BSWBEFLXPNZHRD-MRVPVSSYSA-N -1 0 316.321 -0.007 20 0 DBADRM CN(C)C(=O)c1ccc(CCNC(=O)Cc2nnn[n-]2)cc1 ZINC001176848721 833425069 /nfs/dbraw/zinc/42/50/69/833425069.db2.gz BVDCCRABKSTTJL-UHFFFAOYSA-N -1 0 302.338 -0.197 20 0 DBADRM COC(=O)[C@H](NC(=O)Cc1nnn[n-]1)c1ccc(OC)cc1 ZINC001176844816 833425385 /nfs/dbraw/zinc/42/53/85/833425385.db2.gz GAABDOUFZJNPJJ-GFCCVEGCSA-N -1 0 305.294 -0.219 20 0 DBADRM O=C(NC[C@H](CO)Nc1cccc(F)n1)c1n[nH]c(=O)[n-]c1=O ZINC001122844149 829623861 /nfs/dbraw/zinc/62/38/61/829623861.db2.gz YZHNVBFCKLNVAA-ZCFIWIBFSA-N -1 0 324.272 -0.980 20 0 DBADRM C[C@H]1[C@H](NC(=O)CCn2cccc2)C(=O)N1S(=O)(=O)[O-] ZINC001176940066 833438462 /nfs/dbraw/zinc/43/84/62/833438462.db2.gz OYLMRFDPASKMRI-WPRPVWTQSA-N -1 0 301.324 -0.604 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CN(C)c2ncccn2)c1[O-] ZINC001125046948 829818502 /nfs/dbraw/zinc/81/85/02/829818502.db2.gz ASQYANPWKGNEOO-JTQLQIEISA-N -1 0 320.353 -0.217 20 0 DBADRM COCCc1nc(CNCCNC(=O)c2[nH]nc(C)c2[O-])no1 ZINC001125733824 829876495 /nfs/dbraw/zinc/87/64/95/829876495.db2.gz BWGWSJBKPMYYTB-UHFFFAOYSA-N -1 0 324.341 -0.485 20 0 DBADRM C[C@@]1(CO)CCN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])C[C@H]1O ZINC001180172028 833571071 /nfs/dbraw/zinc/57/10/71/833571071.db2.gz JANMCHFRGVMSBU-MUWHJKNJSA-N -1 0 317.235 -0.067 20 0 DBADRM C[C@]1(CO)CN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])CC[C@@H]1O ZINC001180172293 833571136 /nfs/dbraw/zinc/57/11/36/833571136.db2.gz RMDLBCHXEYPDTE-IMTBSYHQSA-N -1 0 317.235 -0.067 20 0 DBADRM CNS(=O)(=O)CCNC(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180176355 833571506 /nfs/dbraw/zinc/57/15/06/833571506.db2.gz XONVBEPZFCREOE-UHFFFAOYSA-N -1 0 310.225 -0.993 20 0 DBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)NC1CC(CO)(CO)C1 ZINC001180176773 833571678 /nfs/dbraw/zinc/57/16/78/833571678.db2.gz OEEYKJDHALKYIJ-UHFFFAOYSA-N -1 0 303.208 -0.409 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180177017 833571887 /nfs/dbraw/zinc/57/18/87/833571887.db2.gz WSVXALQKXVFMOL-LURJTMIESA-N -1 0 302.224 -0.212 20 0 DBADRM COC(=O)/C=C\[C@@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001181324708 833626689 /nfs/dbraw/zinc/62/66/89/833626689.db2.gz ASLLHUOAKDPRCP-ATJFRQLMSA-N -1 0 316.321 -0.078 20 0 DBADRM COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCS(=O)(=O)[O-] ZINC001180792035 833603436 /nfs/dbraw/zinc/60/34/36/833603436.db2.gz QFVPNSHWBRAEIM-ZETCQYMHSA-N -1 0 312.344 -0.512 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)[C@@H]2CC(=O)N(C)C(=O)N2)[n-]1 ZINC001181128684 833617641 /nfs/dbraw/zinc/61/76/41/833617641.db2.gz AFUVDJCUOUBSFT-LURJTMIESA-N -1 0 309.282 -0.535 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)Nc2ccccc2-c2nn[nH]n2)NC1=O ZINC001181128630 833617694 /nfs/dbraw/zinc/61/76/94/833617694.db2.gz AAJMMBCWDJOFII-VIFPVBQESA-N -1 0 315.293 -0.255 20 0 DBADRM CC(C)c1ocnc1CNCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001130863140 830401259 /nfs/dbraw/zinc/40/12/59/830401259.db2.gz LXODMRHZCSGNGL-UHFFFAOYSA-N -1 0 322.325 -0.086 20 0 DBADRM Cc1nnc([C@H](C)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001130865108 830401310 /nfs/dbraw/zinc/40/13/10/830401310.db2.gz PTDSWNCYKHSBKH-YFKPBYRVSA-N -1 0 309.286 -0.945 20 0 DBADRM O=C(NCCNCC(F)(F)C(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001130865131 830401443 /nfs/dbraw/zinc/40/14/43/830401443.db2.gz QUPCMUMSGDIYMY-UHFFFAOYSA-N -1 0 313.211 -0.497 20 0 DBADRM C[C@H](C(=O)N(C)c1nnn[n-]1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001131169863 830439160 /nfs/dbraw/zinc/43/91/60/830439160.db2.gz PGHNWPGMWATPIT-IWSPIJDZSA-N -1 0 306.326 -0.274 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001131834819 830539543 /nfs/dbraw/zinc/53/95/43/830539543.db2.gz RQNOPTIGZNSTKW-KOLCDFICSA-N -1 0 324.385 -0.542 20 0 DBADRM CCc1cnc(CNCCNC(=O)c2cnc([O-])n(C)c2=O)o1 ZINC001132242325 830612133 /nfs/dbraw/zinc/61/21/33/830612133.db2.gz NBSYYSTZYGKDQI-UHFFFAOYSA-N -1 0 321.337 -0.444 20 0 DBADRM Cc1nc([C@H](C)NCCNC(=O)c2cnc([O-])n(C)c2=O)no1 ZINC001132242551 830612250 /nfs/dbraw/zinc/61/22/50/830612250.db2.gz SDZSSRLNTHFFIP-ZETCQYMHSA-N -1 0 322.325 -0.742 20 0 DBADRM CCn1ccc(CNCCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001132242006 830612280 /nfs/dbraw/zinc/61/22/80/830612280.db2.gz FZQZMVYSYGTORG-UHFFFAOYSA-N -1 0 320.353 -0.778 20 0 DBADRM CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)NCS(=O)(=O)[O-] ZINC001181860740 833646758 /nfs/dbraw/zinc/64/67/58/833646758.db2.gz AHMLQPBUPYFIAW-SSDOTTSWSA-N -1 0 322.339 -0.126 20 0 DBADRM CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N[C@@H]1CO[N-]C1=O ZINC001181861845 833646811 /nfs/dbraw/zinc/64/68/11/833646811.db2.gz HQDJJGXCTZBUKO-SFYZADRCSA-N -1 0 313.310 -0.541 20 0 DBADRM O=C(Cn1cc(Cl)c(=O)c(Cl)c1)N[C@@H]1CO[N-]C1=O ZINC001182113756 833657632 /nfs/dbraw/zinc/65/76/32/833657632.db2.gz FOCVNJXCUXXBOY-SSDOTTSWSA-N -1 0 306.105 -0.299 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001134413967 830935121 /nfs/dbraw/zinc/93/51/21/830935121.db2.gz GBGLSZDOPBKZIC-VIFPVBQESA-N -1 0 317.342 -0.584 20 0 DBADRM Cn1ccnc1CNCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001134938789 830992306 /nfs/dbraw/zinc/99/23/06/830992306.db2.gz GGXQAZOEWTVJRS-UHFFFAOYSA-N -1 0 315.337 -0.724 20 0 DBADRM Cc1nc(CNCCNC(=O)c2c[n-]n3c2nccc3=O)co1 ZINC001134942098 830994508 /nfs/dbraw/zinc/99/45/08/830994508.db2.gz YYIYQBVKYLAHSU-UHFFFAOYSA-N -1 0 316.321 -0.161 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001182631986 833684531 /nfs/dbraw/zinc/68/45/31/833684531.db2.gz BWDQDCWTNJUBAH-YLWLKBPMSA-N -1 0 319.339 -0.703 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001182631985 833684533 /nfs/dbraw/zinc/68/45/33/833684533.db2.gz BWDQDCWTNJUBAH-XNCJUZBTSA-N -1 0 319.339 -0.703 20 0 DBADRM CC1(C(=O)N[C@H]2SC(=O)[N-]C2=O)CCS(=O)(=O)CC1 ZINC001183649513 833725728 /nfs/dbraw/zinc/72/57/28/833725728.db2.gz PRQZTBKINAFSAX-ZETCQYMHSA-N -1 0 306.365 -0.373 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCCN1CCOCC1 ZINC001135586513 831092675 /nfs/dbraw/zinc/09/26/75/831092675.db2.gz LFGJWWJYZPICMB-UHFFFAOYSA-N -1 0 313.358 -0.692 20 0 DBADRM COC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC)C(C)C ZINC001183950973 833743484 /nfs/dbraw/zinc/74/34/84/833743484.db2.gz ZWGYBIUIWGTIND-WPRPVWTQSA-N -1 0 318.326 -0.110 20 0 DBADRM NC(=O)C(NC(=O)c1cc(Cl)cc(Cl)c1[O-])C(N)=O ZINC001136007380 831147720 /nfs/dbraw/zinc/14/77/20/831147720.db2.gz BUOFDZMAUHVQGU-UHFFFAOYSA-N -1 0 306.105 -0.232 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)CCCc3nnn[n-]3)CCN2C1=O ZINC001137227059 831169160 /nfs/dbraw/zinc/16/91/60/831169160.db2.gz TZWIGUVSHZBPFQ-VIFPVBQESA-N -1 0 321.341 -0.983 20 0 DBADRM C[C@H](CO[N-]C(=O)Cn1ncnn1)NC(=O)OC(C)(C)C ZINC001137598941 831170819 /nfs/dbraw/zinc/17/08/19/831170819.db2.gz XOUYAJCNYRPWHX-MRVPVSSYSA-N -1 0 300.319 -0.366 20 0 DBADRM CN(C)C(=O)NCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001137778558 831171806 /nfs/dbraw/zinc/17/18/06/831171806.db2.gz SWELVOMGAJCILE-UHFFFAOYSA-N -1 0 318.341 -0.924 20 0 DBADRM CN(C)C(=O)/C=C\C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1 ZINC001137941822 831172788 /nfs/dbraw/zinc/17/27/88/831172788.db2.gz HEWZEXXRNCQVAP-WAYWQWQTSA-N -1 0 313.335 -0.378 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(F)c1N ZINC001138193797 831174749 /nfs/dbraw/zinc/17/47/49/831174749.db2.gz PAZGYGBLRLXZNP-UHFFFAOYSA-N -1 0 303.315 -0.396 20 0 DBADRM O=C(/C=C/Cn1cncn1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001138438194 831175562 /nfs/dbraw/zinc/17/55/62/831175562.db2.gz RFGWPJWZBWQUTP-VWCDRPFISA-N -1 0 306.355 -0.336 20 0 DBADRM O=C(N[C@@H](CO)Cc1ccncc1)c1c[n-]n2c1nccc2=O ZINC001138329059 831175693 /nfs/dbraw/zinc/17/56/93/831175693.db2.gz HPNGVGKXZWPOKT-LLVKDONJSA-N -1 0 313.317 -0.249 20 0 DBADRM O=C(CCc1[nH]c(O)nc1O)NCc1n[nH]c(C(F)(F)F)n1 ZINC001138639211 831176563 /nfs/dbraw/zinc/17/65/63/831176563.db2.gz NLWTZPQFFIQNOU-BYPYZUCNSA-N -1 0 320.231 -0.572 20 0 DBADRM Cn1c(CO)nc2cc(C(=O)NCCc3nc(=O)o[n-]3)ccc21 ZINC001139477613 831180546 /nfs/dbraw/zinc/18/05/46/831180546.db2.gz UFZKOBPZAOMVPZ-UHFFFAOYSA-N -1 0 317.305 -0.286 20 0 DBADRM O=C(NCc1nnc2n1CCOC2)c1c[n-]n2c1nccc2=O ZINC001139760292 831181913 /nfs/dbraw/zinc/18/19/13/831181913.db2.gz ZFFXCUPPNAZAFY-UHFFFAOYSA-N -1 0 315.293 -0.926 20 0 DBADRM C[C@@]1(C[C@H]2CCCN2C(=O)c2c[n-]ncc2=O)NC(=O)NC1=O ZINC001140504704 831187175 /nfs/dbraw/zinc/18/71/75/831187175.db2.gz BGVMEJZSBQPXEW-CLAHSXSESA-N -1 0 319.321 -0.225 20 0 DBADRM Cc1nnc(CC(=O)NC(=N)SCCS(=O)(=O)[O-])o1 ZINC001142001750 831199358 /nfs/dbraw/zinc/19/93/58/831199358.db2.gz CFXVVWTYGLDKAF-UHFFFAOYSA-N -1 0 308.341 -0.408 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCCCS(C)(=O)=O)cc1=O ZINC001142101644 831202298 /nfs/dbraw/zinc/20/22/98/831202298.db2.gz HUIYGDCWYLOFBP-UHFFFAOYSA-N -1 0 317.411 -0.074 20 0 DBADRM O=C(Cn1nccn1)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001142193912 831207335 /nfs/dbraw/zinc/20/73/35/831207335.db2.gz PCAPOMLQFATVNQ-UHFFFAOYSA-N -1 0 307.291 -0.651 20 0 DBADRM COC1(OC)CC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001142549854 831214341 /nfs/dbraw/zinc/21/43/41/831214341.db2.gz XKKLFDMQQJWQRU-UHFFFAOYSA-N -1 0 300.315 -0.263 20 0 DBADRM Cc1ccc2nnc(CNC(=O)c3n[nH]c(=O)[n-]c3=O)n2c1 ZINC001142554132 831214401 /nfs/dbraw/zinc/21/44/01/831214401.db2.gz PZMRQDTZRXUUGK-UHFFFAOYSA-N -1 0 301.266 -0.436 20 0 DBADRM COC1(OC)CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001142920746 831222307 /nfs/dbraw/zinc/22/23/07/831222307.db2.gz FVCOHILOMLEVGK-ZETCQYMHSA-N -1 0 318.355 -0.815 20 0 DBADRM Cn1ncnc1CCCNC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001143389164 831236375 /nfs/dbraw/zinc/23/63/75/831236375.db2.gz AICSNXXFKNYWBU-UHFFFAOYSA-N -1 0 313.325 -0.247 20 0 DBADRM COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)C(=O)[O-] ZINC001143420026 831237044 /nfs/dbraw/zinc/23/70/44/831237044.db2.gz QGXZAQHESNGBFN-SECBINFHSA-N -1 0 320.309 -0.880 20 0 DBADRM O=C([O-])C(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001143419431 831237053 /nfs/dbraw/zinc/23/70/53/831237053.db2.gz MESYAFHMVCNIAO-CQSZACIVSA-N -1 0 306.322 -0.241 20 0 DBADRM O=C([O-])C(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001143422843 831237209 /nfs/dbraw/zinc/23/72/09/831237209.db2.gz QYQDXZPORCUMOH-UHFFFAOYSA-N -1 0 313.335 -0.565 20 0 DBADRM O=C([O-])C(=O)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001143419429 831237250 /nfs/dbraw/zinc/23/72/50/831237250.db2.gz MBXWUESDUMAVDU-UHFFFAOYSA-N -1 0 317.305 -0.279 20 0 DBADRM NS(=O)(=O)CCCC(=O)NCCCC[P@@](=O)([O-])O ZINC001144594707 831257335 /nfs/dbraw/zinc/25/73/35/831257335.db2.gz OSFXINALZIYBRP-UHFFFAOYSA-N -1 0 302.289 -0.871 20 0 DBADRM COc1cccc(C[C@@H]([NH3+])C(=O)NCCOP(=O)([O-])[O-])c1 ZINC001144943300 831262607 /nfs/dbraw/zinc/26/26/07/831262607.db2.gz RQIIAPSCZBEUHF-LLVKDONJSA-N -1 0 318.266 -0.210 20 0 DBADRM CO[C@H](CC(=O)NCC[NH2+]Cc1n[nH]c(=O)[n-]1)C(F)(F)F ZINC001146938011 831312323 /nfs/dbraw/zinc/31/23/23/831312323.db2.gz GSJIMIBVDMWLET-ZCFIWIBFSA-N -1 0 311.264 -0.317 20 0 DBADRM CCO[C@@H](C)C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001147056531 831332886 /nfs/dbraw/zinc/33/28/86/831332886.db2.gz JBNUXRSGMSDJJG-JTQLQIEISA-N -1 0 309.370 -0.030 20 0 DBADRM Cn1ncc(CNCCNC(=O)c2ccc3oc(=O)nc-3[n-]2)n1 ZINC001147705298 831401879 /nfs/dbraw/zinc/40/18/79/831401879.db2.gz HXXYHPVXAXJPKW-UHFFFAOYSA-N -1 0 317.309 -0.424 20 0 DBADRM Cn1cc(I)c(C(=O)Nc2nnn[n-]2)n1 ZINC001147752915 831403861 /nfs/dbraw/zinc/40/38/61/831403861.db2.gz YBNLMEVSJPQBRQ-UHFFFAOYSA-N -1 0 319.066 -0.210 20 0 DBADRM COCC1(C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)CC1 ZINC001147898498 831416833 /nfs/dbraw/zinc/41/68/33/831416833.db2.gz ODRYBEWKEJYINX-UHFFFAOYSA-N -1 0 321.381 -0.029 20 0 DBADRM N=C(NC(=O)Cc1cncnc1)SCCS(=O)(=O)[O-] ZINC001177223482 833460910 /nfs/dbraw/zinc/46/09/10/833460910.db2.gz WMBYYAHCGJZUTM-UHFFFAOYSA-N -1 0 304.353 -0.309 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccccc1C(N)=O ZINC001148534257 831460373 /nfs/dbraw/zinc/46/03/73/831460373.db2.gz KCRKSGHOXBVVRV-JTQLQIEISA-N -1 0 308.290 -0.078 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cc2cccn2C)C(=O)N1S(=O)(=O)[O-] ZINC001177322674 833462899 /nfs/dbraw/zinc/46/28/99/833462899.db2.gz NEPZJMGTOFQSPW-XVKPBYJWSA-N -1 0 301.324 -0.914 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccn(C)c2CC(=O)[O-])CCN1C ZINC001177364647 833465206 /nfs/dbraw/zinc/46/52/06/833465206.db2.gz DTBFPSZONQTNQJ-GFCCVEGCSA-N -1 0 323.349 -0.419 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)N1C[C@H](O)C[C@@H]1CO ZINC001177346111 833463988 /nfs/dbraw/zinc/46/39/88/833463988.db2.gz PQHOCRKEZTYEKK-PHDIDXHHSA-N -1 0 307.422 -0.127 20 0 DBADRM O=C(c1cc(S(=O)(=O)[O-])ccc1O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001148926000 831479029 /nfs/dbraw/zinc/47/90/29/831479029.db2.gz HBFXGRBIDYWOKZ-RCOVLWMOSA-N -1 0 313.287 -0.221 20 0 DBADRM CC(F)(F)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001149059161 831489801 /nfs/dbraw/zinc/48/98/01/831489801.db2.gz ROGIVEFNUJONEP-MRVPVSSYSA-N -1 0 319.312 -0.127 20 0 DBADRM CSCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001149105770 831495021 /nfs/dbraw/zinc/49/50/21/831495021.db2.gz VXSLNXGGLCGPPC-SECBINFHSA-N -1 0 315.399 -0.420 20 0 DBADRM Cc1cc2nnc(C(=O)N[C@H]3SC(=O)[N-]C3=O)c(C)n2n1 ZINC001149622861 831554754 /nfs/dbraw/zinc/55/47/54/831554754.db2.gz ACICAHFIVZJFEB-JTQLQIEISA-N -1 0 306.307 -0.220 20 0 DBADRM CCn1cc(C(=O)N[C@@H]2CO[N-]C2=O)c(=O)c2ccc(C)nc21 ZINC001149699048 831561776 /nfs/dbraw/zinc/56/17/76/831561776.db2.gz ARIWPQWTBYWUOI-LLVKDONJSA-N -1 0 316.317 -0.115 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cnc3cc[nH]c3c2)C(=O)N1S(=O)(=O)[O-] ZINC001150908423 831652649 /nfs/dbraw/zinc/65/26/49/831652649.db2.gz YNBDHGQSVNPFSN-WKEGUHRASA-N -1 0 324.318 -0.305 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2ccc3[nH]cnc3c2)C(=O)N1S(=O)(=O)[O-] ZINC001151095348 831664368 /nfs/dbraw/zinc/66/43/68/831664368.db2.gz IZSNZHAGWWPOEU-WKEGUHRASA-N -1 0 324.318 -0.305 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2nc(-c3cnccn3)no2)C1=O ZINC001151237843 831673198 /nfs/dbraw/zinc/67/31/98/831673198.db2.gz VGAGSGKRQQVBPQ-UHFFFAOYSA-N -1 0 303.238 -0.935 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cc3cccnc3[nH]2)C(=O)N1S(=O)(=O)[O-] ZINC001151549211 831692514 /nfs/dbraw/zinc/69/25/14/831692514.db2.gz GGPHCIRKSUORGS-RCOVLWMOSA-N -1 0 324.318 -0.305 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C(=O)N1S(=O)(=O)[O-] ZINC001151975513 831718244 /nfs/dbraw/zinc/71/82/44/831718244.db2.gz ATJDRHLSYQFOJN-WKEGUHRASA-N -1 0 324.318 -0.305 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)CNC(=O)OC ZINC001152139351 831727901 /nfs/dbraw/zinc/72/79/01/831727901.db2.gz FJTRFAIUNCQZEG-MRVPVSSYSA-N -1 0 314.346 -0.807 20 0 DBADRM Cn1cc([C@@H]2[C@@H](C(=O)[N-]OC3CCCC3)[C@@H](O)C(=O)N2C)cn1 ZINC001152464183 831753420 /nfs/dbraw/zinc/75/34/20/831753420.db2.gz LCHOGECPNZWDHH-JHJVBQTASA-N -1 0 322.365 -0.099 20 0 DBADRM Cn1c(=O)cc(NC(=O)c2cnc3n(c2=O)CCS3)nc1[O-] ZINC001152504504 831756173 /nfs/dbraw/zinc/75/61/73/831756173.db2.gz JIEVTQQWPQGMSQ-UHFFFAOYSA-N -1 0 321.318 -0.599 20 0 DBADRM C[C@@H](O)[C@@H](CO)NC(=O)c1sc(C(=O)[O-])c2c1OCCO2 ZINC001152698711 831769559 /nfs/dbraw/zinc/76/95/59/831769559.db2.gz YEHVZAZCSAQCTQ-PHDIDXHHSA-N -1 0 317.319 -0.311 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001152733727 831771188 /nfs/dbraw/zinc/77/11/88/831771188.db2.gz IEUMYXAETNGVED-ZJUUUORDSA-N -1 0 324.385 -0.637 20 0 DBADRM Cc1nc(Cl)cc(NC(=O)c2ncn3c2nnn(C)c3=O)n1 ZINC001152746647 831772299 /nfs/dbraw/zinc/77/22/99/831772299.db2.gz JSXHNHMILQGXFD-UHFFFAOYSA-N -1 0 320.700 -0.173 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1cn(C)cn1 ZINC001152749450 831772794 /nfs/dbraw/zinc/77/27/94/831772794.db2.gz INRWOXZVNDPDQS-SECBINFHSA-N -1 0 307.358 -0.116 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@H](C)n1cncn1 ZINC001152899871 831781804 /nfs/dbraw/zinc/78/18/04/831781804.db2.gz RDEXOOMSYKJWOG-ZJUUUORDSA-N -1 0 322.373 -0.310 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC=C[C@H]3CO)cc2=O)n1 ZINC001153292014 831800820 /nfs/dbraw/zinc/80/08/20/831800820.db2.gz JLFYXLDALYJKIY-NSHDSACASA-N -1 0 315.333 -0.055 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@]12C[C@H]1COC2 ZINC001153459198 831810305 /nfs/dbraw/zinc/81/03/05/831810305.db2.gz YTENEJKZOGWQED-BFVZDQMLSA-N -1 0 309.370 -0.127 20 0 DBADRM O=C(N[C@@H]1CCC(=O)NC1=O)c1c[n-]c2cccnc2c1=O ZINC001153860629 831841791 /nfs/dbraw/zinc/84/17/91/831841791.db2.gz PVRALQVVPONJSH-SECBINFHSA-N -1 0 300.274 -0.542 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)c2c[n-]c3cccnc3c2=O)C1 ZINC001153856282 831842042 /nfs/dbraw/zinc/84/20/42/831842042.db2.gz UATLZRXDMNVJLU-UHFFFAOYSA-N -1 0 322.346 -0.703 20 0 DBADRM CN1CCO[C@@H](CNC(=O)c2c[n-]c3cccnc3c2=O)C1 ZINC001153860075 831842415 /nfs/dbraw/zinc/84/24/15/831842415.db2.gz JKQODYAXKPPJDQ-JTQLQIEISA-N -1 0 302.334 -0.017 20 0 DBADRM COc1ccc2c(=O)cc(C(=O)N[C@@H]3CO[N-]C3=O)[nH]c2c1 ZINC001154119562 831862685 /nfs/dbraw/zinc/86/26/85/831862685.db2.gz PFHKMMJIUPBNFA-LLVKDONJSA-N -1 0 303.274 -0.304 20 0 DBADRM CCN(Cc1cnon1)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001154179210 831865394 /nfs/dbraw/zinc/86/53/94/831865394.db2.gz YHIICPYQILIOGJ-SSDOTTSWSA-N -1 0 323.313 -0.694 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1[nH]nnc1C ZINC001154564675 831887649 /nfs/dbraw/zinc/88/76/49/831887649.db2.gz HLJHNGYUSOVZLO-SSDOTTSWSA-N -1 0 308.346 -0.423 20 0 DBADRM Cn1cc(C(=O)n2[n-]c3ccnc(=O)c-3c2N)c(=O)c2cccn21 ZINC001154656315 831893580 /nfs/dbraw/zinc/89/35/80/831893580.db2.gz XXGBQWCRLFOKFA-UHFFFAOYSA-N -1 0 324.300 -0.102 20 0 DBADRM COC[C@H](NC(=O)Cc1cn2ccccc2n1)c1nnn[n-]1 ZINC001155069728 831914735 /nfs/dbraw/zinc/91/47/35/831914735.db2.gz RVEHBTZIURFAKG-JTQLQIEISA-N -1 0 301.310 -0.106 20 0 DBADRM O=CNc1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cc1 ZINC001155516464 831937027 /nfs/dbraw/zinc/93/70/27/831937027.db2.gz XDKSBBROUWEXGN-UHFFFAOYSA-N -1 0 316.321 -0.108 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccn2ncnc2c1 ZINC001155590980 831942425 /nfs/dbraw/zinc/94/24/25/831942425.db2.gz ZLCSZUZCMLZWOR-VIFPVBQESA-N -1 0 306.278 -0.135 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1nnc2ccc(Br)cn21 ZINC001155673706 831946168 /nfs/dbraw/zinc/94/61/68/831946168.db2.gz CNUXAYKNGMBHEX-UHFFFAOYSA-N -1 0 323.114 -0.311 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCCc1nnc2ccccn21 ZINC001155721290 831948119 /nfs/dbraw/zinc/94/81/19/831948119.db2.gz DSKBYGRETYEKPU-UHFFFAOYSA-N -1 0 300.326 -0.076 20 0 DBADRM CN1CCO[C@@H](C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC001155755650 831950944 /nfs/dbraw/zinc/95/09/44/831950944.db2.gz RYRVIKJTRRQNJP-RKDXNWHRSA-N -1 0 309.326 -0.927 20 0 DBADRM C[C@H]1C(=O)Nc2cnc(N[C@@H]3SC(=O)[N-]C3=O)nc2N1C ZINC001155842407 831955294 /nfs/dbraw/zinc/95/52/94/831955294.db2.gz LNWJUWBJDULCFQ-AJAUBTJJSA-N -1 0 308.323 -0.026 20 0 DBADRM CNS(=O)(=O)c1ccc(N[C@@H]2SC(=O)[N-]C2=O)nc1 ZINC001155845174 831955644 /nfs/dbraw/zinc/95/56/44/831955644.db2.gz ZEXVBTWUVAMKQZ-MRVPVSSYSA-N -1 0 302.337 -0.289 20 0 DBADRM COc1cccn2c(C(=O)NCC(=O)CCC(=O)[O-])nnc12 ZINC001156013664 831963203 /nfs/dbraw/zinc/96/32/03/831963203.db2.gz XIKVJEYLAFACLA-UHFFFAOYSA-N -1 0 306.278 -0.098 20 0 DBADRM NS(=O)(=O)c1ccnc(NCC[N-]C(=O)C(F)(F)F)c1 ZINC001156204696 831974071 /nfs/dbraw/zinc/97/40/71/831974071.db2.gz GJCUBEOYAFZXRI-UHFFFAOYSA-N -1 0 312.273 -0.181 20 0 DBADRM COc1nc(N[C@@H]2CO[N-]C2=O)nc(N2CCCCCC2)n1 ZINC001156695297 831994545 /nfs/dbraw/zinc/99/45/45/831994545.db2.gz WKQHQEPKNRYOEZ-SECBINFHSA-N -1 0 308.342 -0.476 20 0 DBADRM Cc1noc2ncnc(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)c12 ZINC001157072260 832019042 /nfs/dbraw/zinc/01/90/42/832019042.db2.gz BTNJXUKAVDTXLO-FSPLSTOPSA-N -1 0 313.295 -0.260 20 0 DBADRM C[C@H]1[C@H](Nc2ncc3c(n2)CCCN3)C(=O)N1S(=O)(=O)[O-] ZINC001157070663 832019072 /nfs/dbraw/zinc/01/90/72/832019072.db2.gz JZCSDGXCDBVWMT-RCOVLWMOSA-N -1 0 313.339 -0.351 20 0 DBADRM COc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc(C)n1 ZINC001157071417 832019085 /nfs/dbraw/zinc/01/90/85/832019085.db2.gz STLWIJTVGQAVFV-CDUCUWFYSA-N -1 0 302.312 -0.392 20 0 DBADRM Cc1ccnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1C(N)=O ZINC001157070224 832019177 /nfs/dbraw/zinc/01/91/77/832019177.db2.gz CDGLRANHWDJZQF-XPUUQOCRSA-N -1 0 314.323 -0.697 20 0 DBADRM CNC(=O)c1ccnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001157071788 832019315 /nfs/dbraw/zinc/01/93/15/832019315.db2.gz WZDQULYNGADDQA-RCOVLWMOSA-N -1 0 314.323 -0.745 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001157227216 832027917 /nfs/dbraw/zinc/02/79/17/832027917.db2.gz DBRDOGZQRCSVME-MNOVXSKESA-N -1 0 324.337 -0.583 20 0 DBADRM [NH3+]C1CCN(c2ccnc(NCCOP(=O)([O-])[O-])n2)CC1 ZINC001157792229 832063855 /nfs/dbraw/zinc/06/38/55/832063855.db2.gz YELWTZTUTPOKRK-UHFFFAOYSA-N -1 0 317.286 -0.075 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)C(C)(C)F)C2 ZINC001269040760 832118096 /nfs/dbraw/zinc/11/80/96/832118096.db2.gz GMUCFJVFOOWFQR-UHFFFAOYSA-N -1 0 322.304 -0.802 20 0 DBADRM C[C@@H]1CC[C@H](CO)CN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185652660 833803618 /nfs/dbraw/zinc/80/36/18/833803618.db2.gz ABMOSOCWURSIDS-BDAKNGLRSA-N -1 0 322.302 -0.845 20 0 DBADRM Cc1cnc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])nc1C ZINC001185653811 833803637 /nfs/dbraw/zinc/80/36/37/833803637.db2.gz JLQKSSSKVBQGOG-UHFFFAOYSA-N -1 0 316.258 -0.419 20 0 DBADRM Cc1cccnc1CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653139 833803821 /nfs/dbraw/zinc/80/38/21/833803821.db2.gz CRGWEHLRHZSOTB-UHFFFAOYSA-N -1 0 315.270 -0.445 20 0 DBADRM Cc1c(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])cnn1C ZINC001185653617 833803969 /nfs/dbraw/zinc/80/39/69/833803969.db2.gz HNMJZRPSEBVVCU-UHFFFAOYSA-N -1 0 304.247 -0.784 20 0 DBADRM CCCN(CCOC)C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654246 833804101 /nfs/dbraw/zinc/80/41/01/833804101.db2.gz OVURTLMGXQJUEC-UHFFFAOYSA-N -1 0 310.291 -0.580 20 0 DBADRM CN(CC(=O)N1C[C@@H]2C[C@H]1C[C@H]2F)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657293 833804646 /nfs/dbraw/zinc/80/46/46/833804646.db2.gz SHDAKVFGFPYNFV-BIIVOSGPSA-N -1 0 308.250 -0.506 20 0 DBADRM CN(CC(=O)N1CCc2[nH]ccc2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661581 833804913 /nfs/dbraw/zinc/80/49/13/833804913.db2.gz KQDQSDMNZQRVBL-UHFFFAOYSA-N -1 0 315.270 -0.552 20 0 DBADRM C[C@@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C2(CC2)C1 ZINC001185657436 833805177 /nfs/dbraw/zinc/80/51/77/833805177.db2.gz WORXPFRWJPFPDG-QMMMGPOBSA-N -1 0 304.287 -0.064 20 0 DBADRM CN(CC(=O)N[C@@H]1CC12CCOCC2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663788 833805307 /nfs/dbraw/zinc/80/53/07/833805307.db2.gz NTZYKJRZSVUIPP-MRVPVSSYSA-N -1 0 320.286 -0.779 20 0 DBADRM CN(CC(=O)N[C@H]1CCOC(C)(C)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663785 833805354 /nfs/dbraw/zinc/80/53/54/833805354.db2.gz NPNQHBZIDOHLKL-QMMMGPOBSA-N -1 0 322.302 -0.391 20 0 DBADRM C[C@@H]1COCC[C@@H]1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664708 833805654 /nfs/dbraw/zinc/80/56/54/833805654.db2.gz YPNDHJSSHIXQPI-SFYZADRCSA-N -1 0 308.275 -0.924 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC2(CO)COC2)ccc1F ZINC001186201507 833837506 /nfs/dbraw/zinc/83/75/06/833837506.db2.gz DJZHYGRGIQZGBE-UHFFFAOYSA-N -1 0 305.283 -0.437 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC2(C1)COCC(=O)N2C1CCCC1 ZINC001269575982 832451200 /nfs/dbraw/zinc/45/12/00/832451200.db2.gz DJVCPPXVXOWFHN-UHFFFAOYSA-N -1 0 320.353 -0.875 20 0 DBADRM CCCCN1CC[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269576715 832451825 /nfs/dbraw/zinc/45/18/25/832451825.db2.gz UCWYDCGRDHVXOR-CQSZACIVSA-N -1 0 306.370 -0.007 20 0 DBADRM CN1c2ccccc2[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269577183 832452149 /nfs/dbraw/zinc/45/21/49/832452149.db2.gz GNIARVLOFWOASM-HNNXBMFYSA-N -1 0 312.333 -0.111 20 0 DBADRM O=C(Cc1nnn[n-]1)N1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001270182350 832509639 /nfs/dbraw/zinc/50/96/39/832509639.db2.gz CQYJBZQXTUPTDM-TXEJJXNPSA-N -1 0 306.370 -0.404 20 0 DBADRM Cc1ncsc1CN1CC2(C1)CN(C(=O)Cc1nnn[n-]1)C2 ZINC001270183411 832510548 /nfs/dbraw/zinc/51/05/48/832510548.db2.gz VJFFVJZPBJKTPU-UHFFFAOYSA-N -1 0 319.394 -0.148 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001270300006 832520041 /nfs/dbraw/zinc/52/00/41/832520041.db2.gz PXFBPYJNYICPDX-UHFFFAOYSA-N -1 0 319.394 -0.366 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@@H]2C[C@@]21C(=O)NCC(F)F ZINC001270788647 832578065 /nfs/dbraw/zinc/57/80/65/832578065.db2.gz ILCQKJXNRJEIGG-KBUNVGBDSA-N -1 0 300.269 -0.886 20 0 DBADRM O=C(Cc1nnn[n-]1)N1C[C@H]2C[C@@]2(C(=O)N2CCCC23CC3)C1 ZINC001270788680 832578457 /nfs/dbraw/zinc/57/84/57/832578457.db2.gz JARLADQPAFBJHL-MEBBXXQBSA-N -1 0 316.365 -0.254 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC2(C[C@@H]2C(=O)N2CCCCO2)C1 ZINC001270789166 832578648 /nfs/dbraw/zinc/57/86/48/832578648.db2.gz NZZCQJGPKJYEHG-SECBINFHSA-N -1 0 306.326 -0.855 20 0 DBADRM CN(C)C(=O)[C@@H]1CCC[C@]12CCN(C(=O)Cc1nnn[n-]1)C2 ZINC001270789169 832579128 /nfs/dbraw/zinc/57/91/28/832579128.db2.gz OAHLFCGXEDAIJX-IINYFYTJSA-N -1 0 306.370 -0.151 20 0 DBADRM NC(=O)[C@@H]1CCC[C@]12CCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270939447 832598742 /nfs/dbraw/zinc/59/87/42/832598742.db2.gz VYZHUQWMJNWUPN-QPUJVOFHSA-N -1 0 310.383 -0.534 20 0 DBADRM C/C=C(/C)C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CCOCC1 ZINC001271030659 832610452 /nfs/dbraw/zinc/61/04/52/832610452.db2.gz HJEHYCQGCNDELX-WCIBSUBMSA-N -1 0 323.397 -0.170 20 0 DBADRM CC/C=C(/C)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001271122133 832623585 /nfs/dbraw/zinc/62/35/85/832623585.db2.gz XCGVQTGSSOUYLK-IUZNHRGFSA-N -1 0 309.370 -0.080 20 0 DBADRM CN1C[C@@H]2CN(C(=O)CNC(=O)c3ccccc3O)C[C@H](C1)O2 ZINC001271270191 832648014 /nfs/dbraw/zinc/64/80/14/832648014.db2.gz HBAPKFRSQYXORT-TXEJJXNPSA-N -1 0 319.361 -0.337 20 0 DBADRM CN1CC[C@@]2(CCCN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)CC2)C1=O ZINC001271609228 832686590 /nfs/dbraw/zinc/68/65/90/832686590.db2.gz QHHPRYLQHHLRQT-OAHLLOKOSA-N -1 0 320.349 -0.462 20 0 DBADRM O=C([N-]c1nnco1)c1noc2c1CN(C(=O)C1COC1)CC2 ZINC001271609236 832686707 /nfs/dbraw/zinc/68/67/07/832686707.db2.gz QJVQMTKJPOOWFU-UHFFFAOYSA-N -1 0 319.277 -0.159 20 0 DBADRM CCOC(=O)c1nc[nH]c1C(=O)N1CC2(C1)COCC(=O)N2C ZINC001271653320 832690695 /nfs/dbraw/zinc/69/06/95/832690695.db2.gz SCXDYCLMAPPJCN-UHFFFAOYSA-N -1 0 322.321 -0.730 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccccn1 ZINC001188401406 833982881 /nfs/dbraw/zinc/98/28/81/833982881.db2.gz NIBAOWUIVFHOTK-NSHDSACASA-N -1 0 316.335 -0.222 20 0 DBADRM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCC(=O)OC)C(F)(F)F ZINC001188401163 833982996 /nfs/dbraw/zinc/98/29/96/833982996.db2.gz JLOOLOAIDFKVNJ-SSDOTTSWSA-N -1 0 321.273 -0.037 20 0 DBADRM C[C@@H](F)C(=O)N1CCc2onc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001272007765 832730423 /nfs/dbraw/zinc/73/04/23/832730423.db2.gz ASUMGNOHEJYOFN-ZCFIWIBFSA-N -1 0 323.288 -0.885 20 0 DBADRM CCOC(=O)c1ncncc1[N-]S(=O)(=O)CCC(=O)OC ZINC001188355633 833978911 /nfs/dbraw/zinc/97/89/11/833978911.db2.gz RJIDTVSYHRYXAC-UHFFFAOYSA-N -1 0 317.323 -0.042 20 0 DBADRM CN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001272263282 832764271 /nfs/dbraw/zinc/76/42/71/832764271.db2.gz KOHZAZWSHJEZAV-RDDDGLTNSA-N -1 0 307.272 -0.398 20 0 DBADRM NC(=O)C[C@@H]1C[C@@H]2CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@@H]2O1 ZINC001272264758 832764345 /nfs/dbraw/zinc/76/43/45/832764345.db2.gz IOTUYEPHSHJZPH-CSMHCCOUSA-N -1 0 323.271 -0.844 20 0 DBADRM CC(C)CN1CC2(CN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O ZINC001272286151 832768047 /nfs/dbraw/zinc/76/80/47/832768047.db2.gz OFJYZMITSNCTSB-UHFFFAOYSA-N -1 0 308.338 -0.175 20 0 DBADRM CC[C@H](C)N1CC2(CN(C(=O)c3cc(=O)n(C)[n-]3)C2)OCC1=O ZINC001272355166 832775696 /nfs/dbraw/zinc/77/56/96/832775696.db2.gz STQSPYMUGWIXSC-JTQLQIEISA-N -1 0 322.365 -0.022 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC[C@]3(CC(=O)N(C)C3=O)C2)cc1=O ZINC001272356084 832776003 /nfs/dbraw/zinc/77/60/03/832776003.db2.gz QWKXZPCGWBPFED-AWEZNQCLSA-N -1 0 306.322 -0.263 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC[C@@]23CCN(C2COC2)C3=O)cc1=O ZINC001272356314 832776199 /nfs/dbraw/zinc/77/61/99/832776199.db2.gz SKRQCAWJRCQPPE-HNNXBMFYSA-N -1 0 320.349 -0.268 20 0 DBADRM NC(=O)CC(=O)NCCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001159667681 832832821 /nfs/dbraw/zinc/83/28/21/832832821.db2.gz WNPALDZBMGGQKN-UHFFFAOYSA-N -1 0 308.342 -0.976 20 0 DBADRM O=C([O-])Cc1nccnc1NCCN1CCS(=O)(=O)CC1 ZINC001160649724 832929898 /nfs/dbraw/zinc/92/98/98/832929898.db2.gz WPFJBCPPTWAAHN-UHFFFAOYSA-N -1 0 314.367 -0.754 20 0 DBADRM CNS(=O)(=O)c1ccc(NCC(=O)CCC(=O)[O-])nc1 ZINC001160875772 832956105 /nfs/dbraw/zinc/95/61/05/832956105.db2.gz BMXPWIXUYMBCKV-UHFFFAOYSA-N -1 0 301.324 -0.165 20 0 DBADRM O=C(C[C@@H]1CCCS1(=O)=O)NCCCc1n[nH]c(=O)[n-]1 ZINC001160878183 832956206 /nfs/dbraw/zinc/95/62/06/832956206.db2.gz DTCZGJQHBNHGBI-QMMMGPOBSA-N -1 0 302.356 -0.474 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)C1(Cc2cccnc2)CCOCC1 ZINC001177202645 833460261 /nfs/dbraw/zinc/46/02/61/833460261.db2.gz BHLFBMNRDXWADQ-GFCCVEGCSA-N -1 0 305.334 -0.033 20 0 DBADRM CN1C(=O)C[C@H](C(=O)NCc2n[nH]c(=O)[n-]2)[C@H]1c1cccnc1 ZINC001177648695 833478631 /nfs/dbraw/zinc/47/86/31/833478631.db2.gz OULMPHDNNIPWQS-JOYOIKCWSA-N -1 0 316.321 -0.259 20 0 DBADRM CSc1[nH]nc(NC(=O)Cn2nn[n-]c2=S)c1C(N)=O ZINC001177736196 833480433 /nfs/dbraw/zinc/48/04/33/833480433.db2.gz DVHMRHHMGUEGLA-UHFFFAOYSA-N -1 0 314.356 -0.856 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1ccc(N2CCOCC2)nc1 ZINC001177735397 833480445 /nfs/dbraw/zinc/48/04/45/833480445.db2.gz GTSSOJORGIIRIG-UHFFFAOYSA-N -1 0 321.366 -0.168 20 0 DBADRM COc1cc2c(cn1)CCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001177738476 833480598 /nfs/dbraw/zinc/48/05/98/833480598.db2.gz DLVIXONWAQWXKQ-UHFFFAOYSA-N -1 0 306.351 -0.050 20 0 DBADRM COC(=O)c1ccc(OC)nc1NC(=O)Cn1nn[n-]c1=S ZINC001177736645 833480599 /nfs/dbraw/zinc/48/05/99/833480599.db2.gz XPCOFCQTPKSUDL-UHFFFAOYSA-N -1 0 324.322 -0.209 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NCCNC(=O)Nc1ccccc1 ZINC001177743049 833481012 /nfs/dbraw/zinc/48/10/12/833481012.db2.gz ILNWZTGMDKNQPK-UHFFFAOYSA-N -1 0 321.366 -0.100 20 0 DBADRM CN(C)C(=O)[C@@H]1CC12CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001177739288 833481046 /nfs/dbraw/zinc/48/10/46/833481046.db2.gz PCIVYTWNOSJZLP-VIFPVBQESA-N -1 0 324.410 -0.321 20 0 DBADRM COC(=O)CC[C@H]1COCCN1C(=O)Cn1nn[n-]c1=S ZINC001177739103 833481081 /nfs/dbraw/zinc/48/10/81/833481081.db2.gz LTUYDBGPYWYCGD-QMMMGPOBSA-N -1 0 315.355 -0.858 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1ccc2c(=O)[nH]c(=O)[nH]c2c1 ZINC001177740864 833481129 /nfs/dbraw/zinc/48/11/29/833481129.db2.gz HZZCMSRXIDLZSS-UHFFFAOYSA-N -1 0 319.306 -0.045 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1ccc2[nH]c(CO)nc2c1 ZINC001177741206 833481176 /nfs/dbraw/zinc/48/11/76/833481176.db2.gz ZCHRPAMZGKMJTN-UHFFFAOYSA-N -1 0 305.323 -0.031 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@]2(C1)CC(F)(F)CO2 ZINC001177740026 833481215 /nfs/dbraw/zinc/48/12/15/833481215.db2.gz XMZOLZSVSQNTPZ-SECBINFHSA-N -1 0 305.310 -0.012 20 0 DBADRM COC(=O)c1ccnc(CNC(=O)Cn2nn[n-]c2=S)c1 ZINC001177744017 833481629 /nfs/dbraw/zinc/48/16/29/833481629.db2.gz PUQLZHJFXBYGPE-UHFFFAOYSA-N -1 0 308.323 -0.540 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NCc1ccc(-n2cccn2)nc1 ZINC001177744057 833481706 /nfs/dbraw/zinc/48/17/06/833481706.db2.gz UDYUUWIEZQUPOE-UHFFFAOYSA-N -1 0 316.350 -0.141 20 0 DBADRM COC[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1nnn[n-]1 ZINC001177828333 833483209 /nfs/dbraw/zinc/48/32/09/833483209.db2.gz NDQCVMHKLXUXLM-NSHDSACASA-N -1 0 314.309 -0.102 20 0 DBADRM Cc1ccnc(CC(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001178269692 833499847 /nfs/dbraw/zinc/49/98/47/833499847.db2.gz VBXSMBKDYUGTOU-KWQFWETISA-N -1 0 313.335 -0.549 20 0 DBADRM CC(=O)N1CCN(CC(=O)NCCCC[P@@](=O)([O-])O)CC1 ZINC001179035655 833534690 /nfs/dbraw/zinc/53/46/90/833534690.db2.gz MTVKZRKHJOIPPE-UHFFFAOYSA-N -1 0 321.314 -0.775 20 0 DBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)CCO)cc1 ZINC001179576781 833552040 /nfs/dbraw/zinc/55/20/40/833552040.db2.gz XFLCEPWTLGPKSQ-UHFFFAOYSA-N -1 0 300.336 -0.374 20 0 DBADRM O=C(Nc1ncc(Br)[nH]c1=O)C1=NNC(=O)CC1 ZINC001180259652 833576393 /nfs/dbraw/zinc/57/63/93/833576393.db2.gz CMHPZEHBOQBCSY-UHFFFAOYSA-N -1 0 314.099 -0.263 20 0 DBADRM O=C([O-])C1(C(=O)N2CC(N3CCNC(=O)C3)C2)CCCCC1 ZINC001180438312 833585724 /nfs/dbraw/zinc/58/57/24/833585724.db2.gz MHNVUMAPVLSMIV-UHFFFAOYSA-N -1 0 309.366 -0.336 20 0 DBADRM CCC[C@@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001180977761 833612741 /nfs/dbraw/zinc/61/27/41/833612741.db2.gz BJEWIVPYJDRHSY-ZJUUUORDSA-N -1 0 302.327 -0.186 20 0 DBADRM C[C@H](C(=O)NCc1nnn[n-]1)N(c1ccccc1)S(C)(=O)=O ZINC001182101828 833656671 /nfs/dbraw/zinc/65/66/71/833656671.db2.gz WFYSVVAZRVLMGQ-SECBINFHSA-N -1 0 324.366 -0.329 20 0 DBADRM O=Nc1c(=O)[nH]c(=O)[nH]c1NC(=O)CC1CC(=O)NC(=O)C1 ZINC001182161339 833661861 /nfs/dbraw/zinc/66/18/61/833661861.db2.gz KPEKWLOFMYSFFV-UHFFFAOYSA-N -1 0 309.238 -0.333 20 0 DBADRM O=C(CC1CC(=O)NC(=O)C1)NCCCC[P@](=O)([O-])O ZINC001182177893 833663190 /nfs/dbraw/zinc/66/31/90/833663190.db2.gz RQMQUYKAEOXFKN-UHFFFAOYSA-N -1 0 306.255 -0.497 20 0 DBADRM Cc1[nH]nc(Br)c1C(=O)[N-]N1CC(=O)NC1=O ZINC001182303655 833668249 /nfs/dbraw/zinc/66/82/49/833668249.db2.gz ZOQGNFXRIGPKAI-UHFFFAOYSA-N -1 0 302.088 -0.323 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)CC(=O)NCc1nnn[n-]1 ZINC001182697134 833686956 /nfs/dbraw/zinc/68/69/56/833686956.db2.gz ZUTCQJHWRXONNU-ZETCQYMHSA-N -1 0 300.319 -0.908 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H]1CC(=O)OC1(C)C ZINC001182755244 833688445 /nfs/dbraw/zinc/68/84/45/833688445.db2.gz ADNSHGGWNHHBPV-SFYZADRCSA-N -1 0 301.295 -0.149 20 0 DBADRM CC(C)C(=O)Nc1nc2c(ncn2CC(=O)[N-]C#N)c(=O)[nH]1 ZINC001182833654 833692504 /nfs/dbraw/zinc/69/25/04/833692504.db2.gz NLKCZIZAJLLCFM-UHFFFAOYSA-N -1 0 303.282 -0.276 20 0 DBADRM CN(C(=O)OC(C)(C)C)[C@@H](CO)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001182952407 833696939 /nfs/dbraw/zinc/69/69/39/833696939.db2.gz PKNMNLWTYKAHHS-ZETCQYMHSA-N -1 0 315.330 -0.646 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)Nc2cc(=O)[n-]c(Cl)n2)C1 ZINC001183017685 833701053 /nfs/dbraw/zinc/70/10/53/833701053.db2.gz PAFGWNCXHFULFT-UHFFFAOYSA-N -1 0 306.731 -0.335 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)C1=C[C@@](C)(O)C=C[C@H]1O ZINC001183551715 833722505 /nfs/dbraw/zinc/72/25/05/833722505.db2.gz KYVOGESGKGLQKF-RBZYPMLTSA-N -1 0 313.306 -0.883 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)C1=C[C@](C)(O)C=C[C@@H]1O ZINC001183551714 833722935 /nfs/dbraw/zinc/72/29/35/833722935.db2.gz KYVOGESGKGLQKF-PKFCDNJMSA-N -1 0 313.306 -0.883 20 0 DBADRM CSc1nc(NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)cc(=O)[nH]1 ZINC001183695199 833730359 /nfs/dbraw/zinc/73/03/59/833730359.db2.gz CCRDUSVTYHNGIL-ANLVUFKYSA-N -1 0 300.340 -0.272 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@H]2C[C@@]23CCCOC3)C(=O)N1S(=O)(=O)[O-] ZINC001183734904 833735370 /nfs/dbraw/zinc/73/53/70/833735370.db2.gz LBZDYNQDWYMAJO-KIKITERTSA-N -1 0 318.351 -0.679 20 0 DBADRM Cn1nnnc1NC(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183901668 833740709 /nfs/dbraw/zinc/74/07/09/833740709.db2.gz BPGQYGTZXARXPQ-UHFFFAOYSA-N -1 0 307.266 -0.309 20 0 DBADRM CN(C[C@@H](O)CO)C(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183905487 833741124 /nfs/dbraw/zinc/74/11/24/833741124.db2.gz BSJNYSPADCRBDW-SNVBAGLBSA-N -1 0 313.306 -0.660 20 0 DBADRM CN(C[C@H](O)CO)C(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183905486 833741153 /nfs/dbraw/zinc/74/11/53/833741153.db2.gz BSJNYSPADCRBDW-JTQLQIEISA-N -1 0 313.306 -0.660 20 0 DBADRM O=C([O-])COc1ccc(OCC(=O)NC[C@@H]2CNC(=O)C2)cc1 ZINC001183909045 833741633 /nfs/dbraw/zinc/74/16/33/833741633.db2.gz ABOQRACPDWCRKB-JTQLQIEISA-N -1 0 322.317 -0.219 20 0 DBADRM CC(C)C[C@](C)(O)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001183970310 833743885 /nfs/dbraw/zinc/74/38/85/833743885.db2.gz NOVLKWOGBUSWDC-LAEOZQHASA-N -1 0 308.356 -0.698 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CCCC[C@@H]2CO)C(=O)N1S(=O)(=O)[O-] ZINC001184159867 833751841 /nfs/dbraw/zinc/75/18/41/833751841.db2.gz ICCWWKNRLPAVGS-JLIMGVALSA-N -1 0 320.367 -0.697 20 0 DBADRM C[C@H]1[C@H](NC(=O)CC(=O)C(F)(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001184464837 833760823 /nfs/dbraw/zinc/76/08/23/833760823.db2.gz CLTUHMQLHRLPKV-DZSWIPIPSA-N -1 0 318.229 -0.974 20 0 DBADRM Nc1nc2c(ncn2CC(=O)NCS(=O)(=O)[O-])c(Cl)n1 ZINC001185905669 833816968 /nfs/dbraw/zinc/81/69/68/833816968.db2.gz OROBVZOBQPTCOS-UHFFFAOYSA-N -1 0 320.718 -0.977 20 0 DBADRM NC(=O)COc1ccc(C(=O)N[C@H]2SC(=O)[N-]C2=O)cc1 ZINC001186072318 833830236 /nfs/dbraw/zinc/83/02/36/833830236.db2.gz YHAZWBFGSRKPIH-NSHDSACASA-N -1 0 309.303 -0.410 20 0 DBADRM COCCN1CCc2nc(C(=O)N=c3nn[n-]n3C)ccc2C1 ZINC001276889336 833907179 /nfs/dbraw/zinc/90/71/79/833907179.db2.gz HRBMLPYYJNKJRX-UHFFFAOYSA-N -1 0 317.353 -0.716 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)[C@H]1CCC=N1 ZINC001187379405 833920917 /nfs/dbraw/zinc/92/09/17/833920917.db2.gz XCZHQDCUECTWJL-MNOVXSKESA-N -1 0 321.337 -0.739 20 0 DBADRM C[C@H]1C[C@@H]1CN1CCc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001277135255 833927716 /nfs/dbraw/zinc/92/77/16/833927716.db2.gz XTGJUKDHAULBLU-DTWKUNHWSA-N -1 0 316.369 -0.379 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(CC1CC1)CC2 ZINC001277238193 833936909 /nfs/dbraw/zinc/93/69/09/833936909.db2.gz DCVDFVLRABHRNE-UHFFFAOYSA-N -1 0 302.342 -0.625 20 0 DBADRM O=S(=O)([N-]c1nccnc1N1CCOCC1)c1c[nH]cn1 ZINC001187731069 833945237 /nfs/dbraw/zinc/94/52/37/833945237.db2.gz AGWQWPLEJWKIOT-UHFFFAOYSA-N -1 0 310.339 -0.163 20 0 DBADRM COCCn1nccc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001187867176 833954410 /nfs/dbraw/zinc/95/44/10/833954410.db2.gz MYRXACLASCOVJL-VIFPVBQESA-N -1 0 313.310 -0.334 20 0 DBADRM CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CO[N-]C2=O)c1 ZINC001187951103 833960514 /nfs/dbraw/zinc/96/05/14/833960514.db2.gz NTMOWIQUJLVINL-SNVBAGLBSA-N -1 0 313.335 -0.903 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCS(=O)(=O)[O-])cc1 ZINC001188121113 833969162 /nfs/dbraw/zinc/96/91/62/833969162.db2.gz CTAGUWLNLNDZTL-UHFFFAOYSA-N -1 0 308.337 -0.830 20 0 DBADRM Cc1cc(C)nc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001188146855 833970225 /nfs/dbraw/zinc/97/02/25/833970225.db2.gz HHDMAPZIEAKMPJ-WPRPVWTQSA-N -1 0 313.335 -0.170 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1cncc(C(=O)OC)n1 ZINC001188353197 833977904 /nfs/dbraw/zinc/97/79/04/833977904.db2.gz RXXJADCNNUWWNG-UHFFFAOYSA-N -1 0 303.296 -0.432 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-][C@@H]1COCCC12OCCO2 ZINC001188403347 833983688 /nfs/dbraw/zinc/98/36/88/833983688.db2.gz TZROMHWONGBXAV-SECBINFHSA-N -1 0 309.340 -0.999 20 0 DBADRM COCCCN1CCc2c([nH]nc2C(=O)N=c2nn[n-]n2C)C1 ZINC001277695908 833984954 /nfs/dbraw/zinc/98/49/54/833984954.db2.gz FUQHXHWMWXDADK-UHFFFAOYSA-N -1 0 320.357 -0.998 20 0 DBADRM Cn1ncc([N-]S(=O)(=O)c2ccc(N3CCOCC3)nc2)n1 ZINC001188494592 833988705 /nfs/dbraw/zinc/98/87/05/833988705.db2.gz FBLXQIKIBOZEPX-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM COc1cc(C(=O)[N-]c2ncnc3n[nH]nc32)c(OC)nn1 ZINC001189062836 834042359 /nfs/dbraw/zinc/04/23/59/834042359.db2.gz YIADVBFDHIFKIU-UHFFFAOYSA-N -1 0 302.254 -0.193 20 0 DBADRM COc1cc(OC)nc(C(=O)n2[n-]c3ccnc(=O)c-3c2N)n1 ZINC001189232092 834060209 /nfs/dbraw/zinc/06/02/09/834060209.db2.gz FPNRUWYMPCDYHO-UHFFFAOYSA-N -1 0 316.277 -0.246 20 0 DBADRM CO[C@H](C)CC(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001189302804 834062527 /nfs/dbraw/zinc/06/25/27/834062527.db2.gz ZPJTWQPERLRRGI-GHMZBOCLSA-N -1 0 311.386 -0.434 20 0 DBADRM C[C@H]1[C@H](NC(=O)Nc2nccs2)C(=O)N1S(=O)(=O)[O-] ZINC001189397631 834075709 /nfs/dbraw/zinc/07/57/09/834075709.db2.gz ZEWYQIGFSWFNFT-WHFBIAKZSA-N -1 0 306.325 -0.333 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)CC(=O)NC3CC3)C2)c1[O-] ZINC001189664307 834104082 /nfs/dbraw/zinc/10/40/82/834104082.db2.gz NAHZLNAKKHHBPA-LLVKDONJSA-N -1 0 321.381 -0.151 20 0 DBADRM O=C(c1ccccc1S(=O)(=O)[O-])N1CC[C@@H](CO)[C@H](O)C1 ZINC001189678381 834105047 /nfs/dbraw/zinc/10/50/47/834105047.db2.gz AGKGBAUQEJAECN-GXSJLCMTSA-N -1 0 315.347 -0.251 20 0 DBADRM O=C1CC[C@@H]([N-]S(=O)(=O)c2ncc(F)cc2F)C(=O)N1 ZINC001190192470 834145733 /nfs/dbraw/zinc/14/57/33/834145733.db2.gz PCZGRHUULCOVGE-SSDOTTSWSA-N -1 0 305.262 -0.557 20 0 DBADRM O=C1C[C@H](C[N-]S(=O)(=O)c2ncc(F)cc2F)C(=O)N1 ZINC001190210429 834146649 /nfs/dbraw/zinc/14/66/49/834146649.db2.gz YFXGQBBKFVPQNE-RXMQYKEDSA-N -1 0 305.262 -0.699 20 0 DBADRM C[C@]1([N-]S(=O)(=O)c2ncc(F)cc2F)CCC(=O)NC1=O ZINC001190208763 834146789 /nfs/dbraw/zinc/14/67/89/834146789.db2.gz OAWASISQATXCRJ-NSHDSACASA-N -1 0 319.289 -0.167 20 0 DBADRM CCOC(=O)CN1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001190686228 834180914 /nfs/dbraw/zinc/18/09/14/834180914.db2.gz CXFDZELKBLMNAW-UHFFFAOYSA-N -1 0 302.356 -0.721 20 0 DBADRM O=S(=O)([N-]c1cncc(N2CCOCC2)n1)c1ncc[nH]1 ZINC001190690025 834181021 /nfs/dbraw/zinc/18/10/21/834181021.db2.gz UEWQUFXHOXZKGC-UHFFFAOYSA-N -1 0 310.339 -0.163 20 0 DBADRM O=C(N1CCN(S(=O)(=O)c2ncc[n-]2)CC1)C(F)(F)F ZINC001190698360 834181902 /nfs/dbraw/zinc/18/19/02/834181902.db2.gz GJUKONAYGRDCBR-UHFFFAOYSA-N -1 0 312.273 -0.195 20 0 DBADRM CNC(=O)[C@@]12CCO[C@@H]1CCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190699653 834182042 /nfs/dbraw/zinc/18/20/42/834182042.db2.gz XBEDTMOZXRSBJY-BXKDBHETSA-N -1 0 314.367 -0.675 20 0 DBADRM CN(C)C(=O)NC1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001190716794 834183962 /nfs/dbraw/zinc/18/39/62/834183962.db2.gz ZBFKKBZZDQOKIF-UHFFFAOYSA-N -1 0 301.372 -0.166 20 0 DBADRM O=C1CN(S(=O)(=O)c2ncc[n-]2)CCN1c1ccccn1 ZINC001190716779 834184324 /nfs/dbraw/zinc/18/43/24/834184324.db2.gz YJGSGSWEQKULEK-UHFFFAOYSA-N -1 0 307.335 -0.158 20 0 DBADRM C[C@@H]1CN(C2CN(S(=O)(=O)c3ncc[n-]3)C2)C[C@H](C)O1 ZINC001190718956 834184377 /nfs/dbraw/zinc/18/43/77/834184377.db2.gz VHVPHRXDWPYDJG-AOOOYVTPSA-N -1 0 300.384 -0.108 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ncc[n-]1)C(=O)OC ZINC001190745245 834187528 /nfs/dbraw/zinc/18/75/28/834187528.db2.gz LCWSWEWESHBCME-ZETCQYMHSA-N -1 0 305.312 -0.817 20 0 DBADRM O=C1C=CC(=O)N1CCCCCNS(=O)(=O)c1ncc[n-]1 ZINC001190745819 834187567 /nfs/dbraw/zinc/18/75/67/834187567.db2.gz PPZAMJROUNETSQ-UHFFFAOYSA-N -1 0 312.351 -0.217 20 0 DBADRM CCC[C@H](NS(=O)(=O)c1ncc[n-]1)[C@H](O)C(=O)NC1CC1 ZINC001190748750 834187579 /nfs/dbraw/zinc/18/75/79/834187579.db2.gz GBARAXPCPJCBFR-UWVGGRQHSA-N -1 0 316.383 -0.504 20 0 DBADRM COC(=O)CC1(NS(=O)(=O)c2ncc[n-]2)CCOCC1 ZINC001190755743 834187649 /nfs/dbraw/zinc/18/76/49/834187649.db2.gz ZDOFZNDZKUDOLO-UHFFFAOYSA-N -1 0 303.340 -0.200 20 0 DBADRM O=S(=O)(N[C@H]1CCC[C@H]1N1CCOCC1)c1ncc[n-]1 ZINC001190754701 834187810 /nfs/dbraw/zinc/18/78/10/834187810.db2.gz CXYFVQNDZARBHW-WDEREUQCSA-N -1 0 300.384 -0.059 20 0 DBADRM COC(=O)[C@H](Cc1cncn1C)NS(=O)(=O)c1ncc[n-]1 ZINC001190754724 834187920 /nfs/dbraw/zinc/18/79/20/834187920.db2.gz FNRLXVIOTDEGPK-VIFPVBQESA-N -1 0 313.339 -0.794 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccncc1 ZINC001190905799 834204363 /nfs/dbraw/zinc/20/43/63/834204363.db2.gz GKZJBQQDZAJXAD-VIFPVBQESA-N -1 0 302.308 -0.234 20 0 DBADRM Cn1cc(Br)cc(C(=O)NCc2nn[n-]n2)c1=O ZINC001191205748 834231957 /nfs/dbraw/zinc/23/19/57/834231957.db2.gz RCNFZBJCNGSGHD-UHFFFAOYSA-N -1 0 313.115 -0.409 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)N[C@@H]2CO[N-]C2=O)cc1 ZINC001191458012 834255217 /nfs/dbraw/zinc/25/52/17/834255217.db2.gz HUSVVZNSQPIDFD-SNVBAGLBSA-N -1 0 314.319 -0.428 20 0 DBADRM Cc1c(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)ccn1C ZINC001191849819 834297677 /nfs/dbraw/zinc/29/76/77/834297677.db2.gz VMBVLSBSLIGGLX-CBAPKCEASA-N -1 0 301.324 -0.535 20 0 DBADRM O=C(CCC(F)(F)F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001192029070 834319786 /nfs/dbraw/zinc/31/97/86/834319786.db2.gz NRMUCXPNSFYIDC-RNFRBKRXSA-N -1 0 323.275 -0.486 20 0 DBADRM O=C(CCc1ccoc1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001192173124 834338807 /nfs/dbraw/zinc/33/88/07/834338807.db2.gz ZGPJXOFLCCSBFU-GHMZBOCLSA-N -1 0 321.337 -0.603 20 0 DBADRM CC[C@@H](SC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001192263275 834347634 /nfs/dbraw/zinc/34/76/34/834347634.db2.gz NUQXMCAWAVXNMU-IWSPIJDZSA-N -1 0 315.399 -0.687 20 0 DBADRM CN1CCN(c2cc(-c3cnn(CC(=O)[O-])c3)ncn2)CC1=O ZINC001242183881 834402756 /nfs/dbraw/zinc/40/27/56/834402756.db2.gz XJONKBZZZPLAJB-UHFFFAOYSA-N -1 0 316.321 -0.297 20 0 DBADRM Cc1nc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)sc1C ZINC001192608870 834404269 /nfs/dbraw/zinc/40/42/69/834404269.db2.gz VCFWVQUYXXMGAS-FSPLSTOPSA-N -1 0 319.364 -0.108 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)NCC2(O)COC2)cc1 ZINC001192733836 834416445 /nfs/dbraw/zinc/41/64/45/834416445.db2.gz FKXUHCRONCSSGZ-UHFFFAOYSA-N -1 0 317.319 -0.810 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1ccc(F)c(F)c1[O-] ZINC001192811899 834424993 /nfs/dbraw/zinc/42/49/93/834424993.db2.gz VXTSZPBCGKWORI-UHFFFAOYSA-N -1 0 302.233 -0.311 20 0 DBADRM O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1ccc([O-])c(F)c1F ZINC001192842518 834430838 /nfs/dbraw/zinc/43/08/38/834430838.db2.gz KLTVCAYWNWUQOA-XWWRSZOLSA-N -1 0 303.261 -0.497 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001192896490 834439719 /nfs/dbraw/zinc/43/97/19/834439719.db2.gz LUPIBPRCFMIPKG-SNVBAGLBSA-N -1 0 324.385 -0.542 20 0 DBADRM COC(=O)[C@@H](CC(N)=O)NS(=O)(=O)c1cnccc1Cl ZINC001192922454 834441654 /nfs/dbraw/zinc/44/16/54/834441654.db2.gz GAABUTNQFSDUDL-SSDOTTSWSA-N -1 0 321.742 -0.570 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cnc(C(N)=O)nc1 ZINC001193024076 834455276 /nfs/dbraw/zinc/45/52/76/834455276.db2.gz DXGKBUKDKRUYAZ-UHFFFAOYSA-N -1 0 316.339 -0.341 20 0 DBADRM CN(CCO)c1cc([N-]S(=O)(=O)C[C@@H]2CCCO2)ncn1 ZINC001193207682 834475866 /nfs/dbraw/zinc/47/58/66/834475866.db2.gz OARUDVBJVFBDGI-JTQLQIEISA-N -1 0 316.383 -0.174 20 0 DBADRM Cc1c([N-]S(=O)(=O)C[C@@H]2CCCO2)c(C(N)=O)nn1C ZINC001193207376 834476206 /nfs/dbraw/zinc/47/62/06/834476206.db2.gz KWHKDCPMMFBXQC-QMMMGPOBSA-N -1 0 302.356 -0.252 20 0 DBADRM CN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1O ZINC001251087746 834494310 /nfs/dbraw/zinc/49/43/10/834494310.db2.gz WSTURKJOKJVNEP-UHFFFAOYSA-N -1 0 323.396 -0.139 20 0 DBADRM CN1CCN(c2ncc(NC(=O)c3cc(=O)[nH][n-]3)cn2)CC1 ZINC001193460997 834497379 /nfs/dbraw/zinc/49/73/79/834497379.db2.gz INEAITGFMFVMHE-UHFFFAOYSA-N -1 0 303.326 -0.091 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC([C@@H]2COC(=O)N2)CC1 ZINC001251350054 834497519 /nfs/dbraw/zinc/49/75/19/834497519.db2.gz LZBLPPNWZLHGLT-VIFPVBQESA-N -1 0 300.315 -0.806 20 0 DBADRM COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)c1cc(=O)[nH][n-]1 ZINC001193467024 834499333 /nfs/dbraw/zinc/49/93/33/834499333.db2.gz JWNHZQKIQZGPQA-RCOVLWMOSA-N -1 0 315.307 -0.655 20 0 DBADRM COc1cc(N2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)ncn1 ZINC001193467564 834499548 /nfs/dbraw/zinc/49/95/48/834499548.db2.gz ULJXSCSCFBNONW-UHFFFAOYSA-N -1 0 304.310 -0.124 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)c2cc(=O)[nH][n-]2)CC1 ZINC001193475222 834500773 /nfs/dbraw/zinc/50/07/73/834500773.db2.gz WHDDYAJOCXOTMM-UHFFFAOYSA-N -1 0 302.356 -0.483 20 0 DBADRM CCOCc1nc([C@@H](C)NC(=O)NCC(=O)[N-]OC)no1 ZINC001251578272 834501110 /nfs/dbraw/zinc/50/11/10/834501110.db2.gz PAWVZBRLYFMGSQ-SSDOTTSWSA-N -1 0 301.303 -0.356 20 0 DBADRM Cc1nnc2ccc(C(=O)N3CCO[C@H](c4nnn[n-]4)C3)cn12 ZINC001251767921 834504155 /nfs/dbraw/zinc/50/41/55/834504155.db2.gz HUTODXGBIUQQOE-JTQLQIEISA-N -1 0 314.309 -0.235 20 0 DBADRM Cc1nnc2ccc(C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)cn12 ZINC001251767922 834504300 /nfs/dbraw/zinc/50/43/00/834504300.db2.gz HUTODXGBIUQQOE-SNVBAGLBSA-N -1 0 314.309 -0.235 20 0 DBADRM Cn1ccnc1S(=O)(=O)[N-]c1cc(N2CCOCC2)ncn1 ZINC001193556323 834508179 /nfs/dbraw/zinc/50/81/79/834508179.db2.gz FLGKSZFNCMKTLS-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCc2nnn[n-]2)n(C(C)(C)C)n1 ZINC001251996230 834515480 /nfs/dbraw/zinc/51/54/80/834515480.db2.gz QRIRUEQJJZFCEL-UHFFFAOYSA-N -1 0 306.330 -0.285 20 0 DBADRM N=C(NC(=O)c1cc(CO)ccn1)SCCS(=O)(=O)[O-] ZINC001193932303 834546186 /nfs/dbraw/zinc/54/61/86/834546186.db2.gz LASISJPARBCZGK-UHFFFAOYSA-N -1 0 319.364 -0.141 20 0 DBADRM O=c1[n-]c(C[NH2+]C[C@@H](O)COc2ccc(CCO)cc2)n[nH]1 ZINC001253162726 834562802 /nfs/dbraw/zinc/56/28/02/834562802.db2.gz KKVHFJCSIMQJHB-LLVKDONJSA-N -1 0 308.338 -0.425 20 0 DBADRM O=S(=O)(CC(F)(F)F)[N-]CCN1CCS(=O)(=O)CC1 ZINC001253235053 834566572 /nfs/dbraw/zinc/56/65/72/834566572.db2.gz LDMMCWKXFCUFLM-UHFFFAOYSA-N -1 0 324.346 -0.802 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC001194201158 834576364 /nfs/dbraw/zinc/57/63/64/834576364.db2.gz WBKXLSMHJHUQIP-UHFFFAOYSA-N -1 0 316.383 -0.330 20 0 DBADRM CCOC(=O)c1nc2n(n1)CCN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001194196182 834576852 /nfs/dbraw/zinc/57/68/52/834576852.db2.gz RHUALCXSHCKMFD-UHFFFAOYSA-N -1 0 320.309 -0.450 20 0 DBADRM COC(=O)[C@@H](Cc1cncn1C)NC(=O)c1cc(=O)n(C)[n-]1 ZINC001194212637 834577843 /nfs/dbraw/zinc/57/78/43/834577843.db2.gz VOJCOVWGTNYEAY-SNVBAGLBSA-N -1 0 307.310 -0.627 20 0 DBADRM CCCCS(=O)(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001253897521 834583568 /nfs/dbraw/zinc/58/35/68/834583568.db2.gz ZFBNQPNXSFMPCA-BQBZGAKWSA-N -1 0 300.358 -0.892 20 0 DBADRM CN(C)Cc1cn(CCOCCOCCOCC(=O)[O-])nn1 ZINC001254083895 834587109 /nfs/dbraw/zinc/58/71/09/834587109.db2.gz WKINSDYAEIJTOC-UHFFFAOYSA-N -1 0 316.358 -0.526 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001194492877 834603994 /nfs/dbraw/zinc/60/39/94/834603994.db2.gz APWMSQRMHLILRR-SECBINFHSA-N -1 0 310.358 -0.801 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCCNC(=O)c1cccs1 ZINC001255988201 834617314 /nfs/dbraw/zinc/61/73/14/834617314.db2.gz PLUYRZSAPCFLPU-UHFFFAOYSA-N -1 0 314.367 -0.155 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC001255994980 834617721 /nfs/dbraw/zinc/61/77/21/834617721.db2.gz ODENRQBETWKURJ-RYUDHWBXSA-N -1 0 311.338 -0.552 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccnc(-n2cncn2)c1 ZINC001256226419 834621834 /nfs/dbraw/zinc/62/18/34/834621834.db2.gz GOBMDVDBOBZGFE-UHFFFAOYSA-N -1 0 301.266 -0.689 20 0 DBADRM C[C@H]1NC(=O)N(CCN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC001194764880 834629931 /nfs/dbraw/zinc/62/99/31/834629931.db2.gz PJBZALSGRWCOFN-BDAKNGLRSA-N -1 0 308.342 -0.370 20 0 DBADRM Cn1ncc([N-]S(=O)(=O)C2CCC(=O)CC2)c1C(N)=O ZINC001194757713 834630742 /nfs/dbraw/zinc/63/07/42/834630742.db2.gz ASXXRMPWNYQJAT-UHFFFAOYSA-N -1 0 300.340 -0.228 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)C2CCC(=O)CC2)CCOC1 ZINC001194829886 834635840 /nfs/dbraw/zinc/63/58/40/834635840.db2.gz GNMCXEIBZVRNOT-LBPRGKRZSA-N -1 0 305.352 -0.250 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1(CCF)CC1 ZINC001194924006 834642378 /nfs/dbraw/zinc/64/23/78/834642378.db2.gz MKUPBXOGKUORKC-RKDXNWHRSA-N -1 0 313.333 -0.689 20 0 DBADRM CCO[C@H](C)C(=O)N1CCCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC001194955210 834645130 /nfs/dbraw/zinc/64/51/30/834645130.db2.gz LHIMFIOHBNJXNL-LLVKDONJSA-N -1 0 311.386 -0.432 20 0 DBADRM CS(=O)(=O)N1CCC([NH2+]CCOP(=O)([O-])[O-])CC1 ZINC001257226688 834646624 /nfs/dbraw/zinc/64/66/24/834646624.db2.gz HNSFONTZBWOBJV-UHFFFAOYSA-N -1 0 302.289 -0.891 20 0 DBADRM CS(=O)(=O)Nc1ccc(C(=O)NCc2nnn[n-]2)cc1F ZINC001194991558 834647830 /nfs/dbraw/zinc/64/78/30/834647830.db2.gz LVZDQFRJVDZXAC-UHFFFAOYSA-N -1 0 314.302 -0.360 20 0 DBADRM O=C(COCC1CC1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001194984063 834648518 /nfs/dbraw/zinc/64/85/18/834648518.db2.gz SVWXDAGBNJGEMJ-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM COc1nccnc1C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001195096024 834657002 /nfs/dbraw/zinc/65/70/02/834657002.db2.gz UADSQGFBGBFLBH-UHFFFAOYSA-N -1 0 320.352 -0.229 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cc(C)c(=O)n(C)c1 ZINC001195124112 834658276 /nfs/dbraw/zinc/65/82/76/834658276.db2.gz NSNWQUWKICRZQG-JTQLQIEISA-N -1 0 310.306 -0.170 20 0 DBADRM COCCOCC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001195364515 834680927 /nfs/dbraw/zinc/68/09/27/834680927.db2.gz UXHVKWWFZMRBJH-UHFFFAOYSA-N -1 0 313.358 -0.792 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001258448846 834683976 /nfs/dbraw/zinc/68/39/76/834683976.db2.gz GSKBOVOBFIDTOV-ZETCQYMHSA-N -1 0 324.771 -0.031 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1COCC[C@@H]1O ZINC001258458103 834683983 /nfs/dbraw/zinc/68/39/83/834683983.db2.gz OHZAZPJSPRZQHA-YUMQZZPRSA-N -1 0 309.775 -0.190 20 0 DBADRM COC(=O)C1(NS(=O)(=O)c2c(C)nn(C)c2Cl)COC1 ZINC001258458272 834684077 /nfs/dbraw/zinc/68/40/77/834684077.db2.gz UGTKPPFWWNWSIN-UHFFFAOYSA-N -1 0 323.758 -0.398 20 0 DBADRM COC(=O)CS(=O)(=O)NCC1(C(=O)OC)CCOCC1 ZINC001259017510 834692272 /nfs/dbraw/zinc/69/22/72/834692272.db2.gz QFNWEQAQLZNIFO-UHFFFAOYSA-N -1 0 309.340 -0.951 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1ccc(S(C)(=O)=O)nc1 ZINC001259018188 834692655 /nfs/dbraw/zinc/69/26/55/834692655.db2.gz YKBONHCIBAEKGZ-UHFFFAOYSA-N -1 0 308.337 -0.600 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1ncc(Cl)nc1C(=O)OC ZINC001259019116 834693612 /nfs/dbraw/zinc/69/36/12/834693612.db2.gz UFLZGJFLNUVJAR-UHFFFAOYSA-N -1 0 323.714 -0.169 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cc(=O)[nH]c(=O)n1C1CC1 ZINC001259028460 834696562 /nfs/dbraw/zinc/69/65/62/834696562.db2.gz CZCIMNHQYRJEAV-UHFFFAOYSA-N -1 0 303.296 -0.802 20 0 DBADRM CCOC(=O)[C@H]([N-]S(=O)(=O)CC(=O)OC)c1ccccn1 ZINC001259031425 834697705 /nfs/dbraw/zinc/69/77/05/834697705.db2.gz MYEVOIDDJMOTSJ-LLVKDONJSA-N -1 0 316.335 -0.222 20 0 DBADRM O=C1C[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2F)C(=O)N1 ZINC001259071105 834698454 /nfs/dbraw/zinc/69/84/54/834698454.db2.gz DMKMSEVXPZBRIY-LURJTMIESA-N -1 0 304.274 -0.094 20 0 DBADRM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC(=O)OC)c1cnccn1 ZINC001259032718 834699218 /nfs/dbraw/zinc/69/92/18/834699218.db2.gz LEEMQXJTGSEBSU-JTQLQIEISA-N -1 0 317.323 -0.827 20 0 DBADRM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)NCC(N)=O ZINC001259072782 834699241 /nfs/dbraw/zinc/69/92/41/834699241.db2.gz PYTIVODCEDYPQI-LURJTMIESA-N -1 0 321.305 -0.767 20 0 DBADRM O=C1[N-]OC[C@H]1NS(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259371701 834703133 /nfs/dbraw/zinc/70/31/33/834703133.db2.gz AEEKCFNKZXNZLN-LLVKDONJSA-N -1 0 308.319 -0.419 20 0 DBADRM O=S(=O)([O-])CNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001259347071 834703426 /nfs/dbraw/zinc/70/34/26/834703426.db2.gz NDRWBPCZJNQANG-UHFFFAOYSA-N -1 0 309.321 -0.419 20 0 DBADRM CN(CCO)c1cc([N-]S(=O)(=O)c2cnn(C)c2)ncn1 ZINC001259820926 834708108 /nfs/dbraw/zinc/70/81/08/834708108.db2.gz XNBTVIYNPGMDNR-UHFFFAOYSA-N -1 0 312.355 -0.561 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1cnn(C)c1 ZINC001259828427 834709189 /nfs/dbraw/zinc/70/91/89/834709189.db2.gz DAWOQUUGNSCFJJ-QMMMGPOBSA-N -1 0 305.312 -0.895 20 0 DBADRM CCn1cc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)F)cn1 ZINC001259840352 834709819 /nfs/dbraw/zinc/70/98/19/834709819.db2.gz ZPFPCLZQMUVFDE-UHFFFAOYSA-N -1 0 314.289 -0.140 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(N)=O)cn1 ZINC001195682163 834714872 /nfs/dbraw/zinc/71/48/72/834714872.db2.gz FDDVVUQGHQXMQS-UHFFFAOYSA-N -1 0 311.323 -0.277 20 0 DBADRM CC(C)(C)OC(=O)C[C@H]([N-]S(=O)(=O)C(F)F)C(N)=O ZINC001259964250 834718092 /nfs/dbraw/zinc/71/80/92/834718092.db2.gz JFRSHJARZKMWKI-YFKPBYRVSA-N -1 0 302.299 -0.286 20 0 DBADRM CCCC(C)(C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001195770717 834724470 /nfs/dbraw/zinc/72/44/70/834724470.db2.gz NXWVBHFHQASWCV-NXEZZACHSA-N -1 0 311.386 -0.002 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001260112583 834727287 /nfs/dbraw/zinc/72/72/87/834727287.db2.gz YKJBNUPYLDJCEF-QMMMGPOBSA-N -1 0 304.353 -0.376 20 0 DBADRM O=S(=O)([N-]C1(CO)CCC1)c1nc2nc(Cl)ccn2n1 ZINC001260180091 834730435 /nfs/dbraw/zinc/73/04/35/834730435.db2.gz FNDDULUFZZSHBA-UHFFFAOYSA-N -1 0 317.758 -0.029 20 0 DBADRM O=S(=O)([N-][C@H]1C[C@@H](O)C1)c1nc2nc(Cl)ccn2n1 ZINC001260178837 834730732 /nfs/dbraw/zinc/73/07/32/834730732.db2.gz ROLRHDGLVFHPLG-OLQVQODUSA-N -1 0 303.731 -0.421 20 0 DBADRM O=S(=O)([N-]CCN1CCC1)c1nc2nc(Cl)ccn2n1 ZINC001260180999 834730753 /nfs/dbraw/zinc/73/07/53/834730753.db2.gz GUWDNFYGUGTQGL-UHFFFAOYSA-N -1 0 316.774 -0.238 20 0 DBADRM CN(C[C@H](O)CO)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260212970 834731476 /nfs/dbraw/zinc/73/14/76/834731476.db2.gz OUYRGPCQQXPTBH-QMMMGPOBSA-N -1 0 307.299 -0.502 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CC(=O)NC2=O)cc1 ZINC001260231259 834731679 /nfs/dbraw/zinc/73/16/79/834731679.db2.gz HVJPDVSZQOYOAI-MRVPVSSYSA-N -1 0 312.303 -0.674 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCn3ncnc3C2)ccc1O ZINC001260392843 834732236 /nfs/dbraw/zinc/73/22/36/834732236.db2.gz DIGMLEZIBUZSAS-UHFFFAOYSA-N -1 0 324.318 -0.114 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC2(O)COC2)ccc1O ZINC001260401884 834733503 /nfs/dbraw/zinc/73/35/03/834733503.db2.gz JDEOEHUZANQZHN-UHFFFAOYSA-N -1 0 303.292 -0.870 20 0 DBADRM Cc1nc(S(=O)(=O)[N-]c2c(C)n(C)nc2C(N)=O)cn1C ZINC001260542738 834734424 /nfs/dbraw/zinc/73/44/24/834734424.db2.gz NCPZDAJOYCUFGT-UHFFFAOYSA-N -1 0 312.355 -0.330 20 0 DBADRM Cn1nnnc1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC001260515058 834734945 /nfs/dbraw/zinc/73/49/45/834734945.db2.gz YJTMHWJLJAVFDM-UHFFFAOYSA-N -1 0 317.352 -0.586 20 0 DBADRM COC(=O)c1ccc([N-]S(=O)(=O)CS(C)(=O)=O)cn1 ZINC001260584242 834736308 /nfs/dbraw/zinc/73/63/08/834736308.db2.gz VNVLWPHHOTYFLI-UHFFFAOYSA-N -1 0 308.337 -0.388 20 0 DBADRM Cn1cnc2c1ncnc2[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260584216 834736733 /nfs/dbraw/zinc/73/67/33/834736733.db2.gz DITFOXFOBATWPG-UHFFFAOYSA-N -1 0 305.341 -0.893 20 0 DBADRM CSc1nc([N-]S(=O)(=O)CS(C)(=O)=O)cc(=O)[nH]1 ZINC001260583714 834736887 /nfs/dbraw/zinc/73/68/87/834736887.db2.gz LEHRXJLOVIONRU-UHFFFAOYSA-N -1 0 313.382 -0.352 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1ccc(S(C)(=O)=O)nc1 ZINC001195934735 834737075 /nfs/dbraw/zinc/73/70/75/834737075.db2.gz WQKBZWKLRDQXJZ-UHFFFAOYSA-N -1 0 322.364 -0.210 20 0 DBADRM Cc1c([N-]S(=O)(=O)CS(C)(=O)=O)cnn1[C@H]1CCOC1 ZINC001260585249 834737279 /nfs/dbraw/zinc/73/72/79/834737279.db2.gz VPHLLRGWAUASHI-VIFPVBQESA-N -1 0 323.396 -0.103 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1cn(C2CCOCC2)cn1 ZINC001260584956 834737411 /nfs/dbraw/zinc/73/74/11/834737411.db2.gz HIJKKTCAACXTJP-UHFFFAOYSA-N -1 0 323.396 -0.022 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1cnn2c1OCC1(CC1)C2 ZINC001260585002 834737859 /nfs/dbraw/zinc/73/78/59/834737859.db2.gz JAGISUQNWFFRHL-UHFFFAOYSA-N -1 0 321.380 -0.201 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cn(C)c(C(=O)OCC)n1 ZINC001195941770 834738131 /nfs/dbraw/zinc/73/81/31/834738131.db2.gz HHDPDYADRLCNOK-UHFFFAOYSA-N -1 0 319.339 -0.098 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1nnccc1C(=O)OCC ZINC001195942734 834738461 /nfs/dbraw/zinc/73/84/61/834738461.db2.gz RXWTVSZTCSXVRB-UHFFFAOYSA-N -1 0 317.323 -0.042 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)Nc1ccc2c(c1)CCNC2=O ZINC001260591659 834740934 /nfs/dbraw/zinc/74/09/34/834740934.db2.gz FIRPQJPMBZBHBO-UHFFFAOYSA-N -1 0 318.376 -0.284 20 0 DBADRM Cn1nnnc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC001260610030 834743492 /nfs/dbraw/zinc/74/34/92/834743492.db2.gz IDWHUMVLHDWXBE-UHFFFAOYSA-N -1 0 323.294 -0.635 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C1(C(=O)OCC)CCOCC1 ZINC001195982625 834743650 /nfs/dbraw/zinc/74/36/50/834743650.db2.gz ABXCQTQZHCVIKR-UHFFFAOYSA-N -1 0 323.367 -0.419 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-][C@@H](C(=O)OC)C1CCOCC1 ZINC001195983899 834744127 /nfs/dbraw/zinc/74/41/27/834744127.db2.gz ILKZUGSJTPSZRO-LLVKDONJSA-N -1 0 323.367 -0.563 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001261121095 834755996 /nfs/dbraw/zinc/75/59/96/834755996.db2.gz YVNHQVSPOAIFBX-NSHDSACASA-N -1 0 321.333 -0.398 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC001261227231 834770564 /nfs/dbraw/zinc/77/05/64/834770564.db2.gz NPOPRWMCDZXKJG-UHFFFAOYSA-N -1 0 306.384 -0.226 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccc(N2CCOCC2=O)cc1 ZINC001196277545 834776027 /nfs/dbraw/zinc/77/60/27/834776027.db2.gz WMLVVGGSQIJKEB-UHFFFAOYSA-N -1 0 302.294 -0.507 20 0 DBADRM O=C(Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21)c1csc(CO)n1 ZINC001196384231 834782950 /nfs/dbraw/zinc/78/29/50/834782950.db2.gz OQZLCWLCJZJEFV-UHFFFAOYSA-N -1 0 308.279 -0.083 20 0 DBADRM CCCO[N-]C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC001261461345 834788544 /nfs/dbraw/zinc/78/85/44/834788544.db2.gz JALRGKYEHFPJKG-UHFFFAOYSA-N -1 0 301.324 -0.270 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1nnn(Cc2ccncc2)c1C ZINC001261525626 834800153 /nfs/dbraw/zinc/80/01/53/834800153.db2.gz JOERILPAFILKPU-UHFFFAOYSA-N -1 0 318.337 -0.173 20 0 DBADRM CN(C[C@@H](O)CO)C(=O)c1sccc1[N-]S(C)(=O)=O ZINC001196723627 834801582 /nfs/dbraw/zinc/80/15/82/834801582.db2.gz SCGLJTPMYISPLO-SSDOTTSWSA-N -1 0 308.381 -0.455 20 0 DBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)NC[C@H]1CNC(=O)C1 ZINC001196740027 834802476 /nfs/dbraw/zinc/80/24/76/834802476.db2.gz UQHUHHJAFNWWHF-SSDOTTSWSA-N -1 0 317.392 -0.015 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CC)Cc1ccccn1 ZINC001261543122 834804953 /nfs/dbraw/zinc/80/49/53/834804953.db2.gz FBPPXXHIEDLIFA-UHFFFAOYSA-N -1 0 308.338 -0.386 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCC(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC001261555204 834806847 /nfs/dbraw/zinc/80/68/47/834806847.db2.gz YURYGRQZDNANHB-GARJFASQSA-N -1 0 315.370 -0.809 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CO1 ZINC001261630415 834820171 /nfs/dbraw/zinc/82/01/71/834820171.db2.gz MDIOZVASJXGGKW-RKDXNWHRSA-N -1 0 324.337 -0.065 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001261630797 834820296 /nfs/dbraw/zinc/82/02/96/834820296.db2.gz YHLPCPQPBLBBLC-UHFFFAOYSA-N -1 0 308.294 -0.639 20 0 DBADRM O=C(CN1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1)NC1CC1 ZINC001261646732 834825459 /nfs/dbraw/zinc/82/54/59/834825459.db2.gz ULZCUJMBSVQMQX-UHFFFAOYSA-N -1 0 309.366 -0.336 20 0 DBADRM NC(=O)CNC(=O)CNC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197148168 834838463 /nfs/dbraw/zinc/83/84/63/834838463.db2.gz RNMXONQRPDWOSB-UHFFFAOYSA-N -1 0 310.335 -0.727 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC001261725461 834840083 /nfs/dbraw/zinc/84/00/83/834840083.db2.gz ZKSJMHFOGWLTJI-ZJUUUORDSA-N -1 0 306.384 -0.228 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001261729692 834841190 /nfs/dbraw/zinc/84/11/90/834841190.db2.gz HVVUWWROYBJQRB-SNVBAGLBSA-N -1 0 315.370 -0.556 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)C(=O)[N-]OC2CCOCC2)C1 ZINC001261735036 834842401 /nfs/dbraw/zinc/84/24/01/834842401.db2.gz UBNKTVDHKQXPKA-KYZUINATSA-N -1 0 300.311 -0.719 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H](C)N1C(=O)CCC1=O ZINC001261747555 834844383 /nfs/dbraw/zinc/84/43/83/834844383.db2.gz QIJQYNGRTJLXNX-QMMMGPOBSA-N -1 0 300.311 -0.087 20 0 DBADRM CN(CCOCCO)C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001261817872 834854393 /nfs/dbraw/zinc/85/43/93/834854393.db2.gz FIFOLOBCHAUBNK-UHFFFAOYSA-N -1 0 317.367 -0.466 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)no1 ZINC001261843435 834862591 /nfs/dbraw/zinc/86/25/91/834862591.db2.gz HICGXUILBOSOOZ-ZDUSSCGKSA-N -1 0 311.294 -0.081 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)Cc1cccnc1 ZINC001197473181 834870798 /nfs/dbraw/zinc/87/07/98/834870798.db2.gz MUCDOPQXHHSXSS-JTQLQIEISA-N -1 0 316.335 -0.093 20 0 DBADRM Cc1cccc(CO[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC001262151921 834912332 /nfs/dbraw/zinc/91/23/32/834912332.db2.gz YMNPWVUJGUTMAP-UHFFFAOYSA-N -1 0 304.306 -0.351 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC001262157810 834913416 /nfs/dbraw/zinc/91/34/16/834913416.db2.gz ORFGWVFRZWVINS-BMIGLBTASA-N -1 0 309.366 -0.480 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@H](OC)C(=O)[O-])[C@H](C)C1 ZINC001262158315 834913549 /nfs/dbraw/zinc/91/35/49/834913549.db2.gz FZJDUNXIDLULTM-KOLCDFICSA-N -1 0 302.327 -0.818 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(C(=O)CC(C)C)CC1 ZINC001262206904 834918987 /nfs/dbraw/zinc/91/89/87/834918987.db2.gz NWDJKFNDEYQQOI-UHFFFAOYSA-N -1 0 300.359 -0.436 20 0 DBADRM C[C@]1(O)CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001262204530 834918993 /nfs/dbraw/zinc/91/89/93/834918993.db2.gz VGDXJPFZASWXPF-RWSFTLGLSA-N -1 0 310.350 -0.461 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CCc2ccccc21 ZINC001262237055 834923282 /nfs/dbraw/zinc/92/32/82/834923282.db2.gz SEWUVMJVLNIHPN-LLVKDONJSA-N -1 0 305.334 -0.374 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC001262266829 834926174 /nfs/dbraw/zinc/92/61/74/834926174.db2.gz AMGLCCIAVKQCQX-ABAIWWIYSA-N -1 0 305.334 -0.373 20 0 DBADRM CCS[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001262281178 834926861 /nfs/dbraw/zinc/92/68/61/834926861.db2.gz PBJTZSMOYBKULI-NXEZZACHSA-N -1 0 317.411 -0.039 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001262283606 834927764 /nfs/dbraw/zinc/92/77/64/834927764.db2.gz REGMJLAIPLPLKZ-YRGRVCCFSA-N -1 0 317.345 -0.518 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC001262291263 834928690 /nfs/dbraw/zinc/92/86/90/834928690.db2.gz WWYMQZQIBOUQPY-VXGBXAGGSA-N -1 0 305.334 -0.300 20 0 DBADRM CN1CCN(c2cnccc2C(=O)NCc2nnn[n-]2)CC1 ZINC001198152658 834930484 /nfs/dbraw/zinc/93/04/84/834930484.db2.gz GMYSTDMHCJYOTL-UHFFFAOYSA-N -1 0 302.342 -0.724 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC[C@@H]1CCCC1(F)F ZINC001262300405 834930781 /nfs/dbraw/zinc/93/07/81/834930781.db2.gz KPABRQVZYZXTPD-QMMMGPOBSA-N -1 0 307.297 -0.278 20 0 DBADRM CCS[C@H]1CC[C@H](N(C)C(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001262316014 834933100 /nfs/dbraw/zinc/93/31/00/834933100.db2.gz WXHGNJUVLYQJDU-UWVGGRQHSA-N -1 0 317.411 -0.087 20 0 DBADRM CCS[C@H]1CC[C@@H](N(C)C(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001262316016 834933392 /nfs/dbraw/zinc/93/33/92/834933392.db2.gz WXHGNJUVLYQJDU-ZJUUUORDSA-N -1 0 317.411 -0.087 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCO[C@H](CC(F)(F)F)C1 ZINC001262457577 834942491 /nfs/dbraw/zinc/94/24/91/834942491.db2.gz TUXLGFTZQQNTGH-SSDOTTSWSA-N -1 0 324.263 -0.492 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CO1 ZINC001262547450 834957416 /nfs/dbraw/zinc/95/74/16/834957416.db2.gz WALUYXKLFIANGW-PDEGPIFNSA-N -1 0 310.350 -0.151 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CO1 ZINC001262547448 834957423 /nfs/dbraw/zinc/95/74/23/834957423.db2.gz WALUYXKLFIANGW-KXGXSXBTSA-N -1 0 310.350 -0.151 20 0 DBADRM Cn1c2ccccc2nc(C(=O)N[C@H]2SC(=O)[N-]C2=O)c1=O ZINC001198664763 834958007 /nfs/dbraw/zinc/95/80/07/834958007.db2.gz LUOXJZLTDJITSB-NSHDSACASA-N -1 0 318.314 -0.028 20 0 DBADRM Cn1c2ccccc2nc(C(=O)NCc2n[nH]c(=O)[n-]2)c1=O ZINC001198663871 834958060 /nfs/dbraw/zinc/95/80/60/834958060.db2.gz DKXNGCUFLKLMCG-UHFFFAOYSA-N -1 0 300.278 -0.313 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N[C@H]1CCC(=O)NC1=O ZINC001198799085 834969696 /nfs/dbraw/zinc/96/96/96/834969696.db2.gz NECOJWCPXNZSCD-QMMMGPOBSA-N -1 0 312.303 -0.532 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CCC[C@@H](OC3CCC3)C2)C[NH2+]CCO1 ZINC001263152523 834974007 /nfs/dbraw/zinc/97/40/07/834974007.db2.gz LMXKZPCELOAUFA-DOMZBBRYSA-N -1 0 312.366 -0.010 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cnc(=O)n(C2CCOCC2)c1 ZINC001198898974 834976398 /nfs/dbraw/zinc/97/63/98/834976398.db2.gz GTZYLYOOSUWHKA-UHFFFAOYSA-N -1 0 305.298 -0.962 20 0 DBADRM COCCOc1cnc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)cn1 ZINC001199128958 834990184 /nfs/dbraw/zinc/99/01/84/834990184.db2.gz KMGACBRMGSFXHA-SNVBAGLBSA-N -1 0 312.307 -0.459 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2cnn3c2NC[C@@H](C)C3)C(=O)N1C ZINC001263866171 834992813 /nfs/dbraw/zinc/99/28/13/834992813.db2.gz FUIPHZFIKQXSRO-SFYZADRCSA-N -1 0 306.326 -0.128 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1ccnc(OCC(F)(F)F)n1 ZINC001199190721 834997376 /nfs/dbraw/zinc/99/73/76/834997376.db2.gz OHUCCJJZFJNHGP-ZCFIWIBFSA-N -1 0 306.200 -0.423 20 0 DBADRM COCCn1ccnc1C(=O)n1[n-]c2ccnc(=O)c-2c1N ZINC001199410291 835020350 /nfs/dbraw/zinc/02/03/50/835020350.db2.gz HXUOPLPIQWDFAU-UHFFFAOYSA-N -1 0 302.294 -0.210 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cnc(OC2CCOCC2)nc1 ZINC001199517407 835028987 /nfs/dbraw/zinc/02/89/87/835028987.db2.gz CRAYOZOINLGUFG-UHFFFAOYSA-N -1 0 320.309 -0.212 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1cnc(OC2CCOCC2)nc1 ZINC001199520384 835030394 /nfs/dbraw/zinc/03/03/94/835030394.db2.gz GZMHXUMXDIGHHZ-UHFFFAOYSA-N -1 0 317.323 -0.391 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CO[N-]C2=O)nn1Cc1ccccn1 ZINC001199662558 835042888 /nfs/dbraw/zinc/04/28/88/835042888.db2.gz LRCVWGXIFQRNTF-GFCCVEGCSA-N -1 0 301.306 -0.205 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1cscn1 ZINC001265007140 835072065 /nfs/dbraw/zinc/07/20/65/835072065.db2.gz FPIXXVZMMXAJTH-UHFFFAOYSA-N -1 0 324.366 -0.009 20 0 DBADRM Cc1cc(C[N@H+](C)CCCNC(=O)Cn2c(=O)[n-][nH]c2=O)on1 ZINC001265063591 835083400 /nfs/dbraw/zinc/08/34/00/835083400.db2.gz KUSUYZHTQPIKQF-UHFFFAOYSA-N -1 0 324.341 -0.376 20 0 DBADRM O=C([O-])CCC(=O)CNC(=S)NCCN1CCOCC1 ZINC001200137091 835098206 /nfs/dbraw/zinc/09/82/06/835098206.db2.gz YPFMHHGPPVRGOG-UHFFFAOYSA-N -1 0 303.384 -0.783 20 0 DBADRM COC(=O)c1ccc(CS(=O)(=O)N[C@@H]2CO[N-]C2=O)cc1 ZINC001201228575 835176084 /nfs/dbraw/zinc/17/60/84/835176084.db2.gz MCIKMQXIQILMMB-SNVBAGLBSA-N -1 0 314.319 -0.677 20 0 DBADRM Cc1cn2c(ncc(C(=O)NCS(=O)(=O)[O-])c2=O)s1 ZINC001201225050 835176416 /nfs/dbraw/zinc/17/64/16/835176416.db2.gz LXWSFXRSNUOWPP-UHFFFAOYSA-N -1 0 303.321 -0.360 20 0 DBADRM CN(CCCNC(=O)C[C@@H]1COC(=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001265826809 835178334 /nfs/dbraw/zinc/17/83/34/835178334.db2.gz NPEKZMIFVMBYAG-VIFPVBQESA-N -1 0 311.342 -0.598 20 0 DBADRM Cc1nc2ccccn2c(=O)c1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001201366866 835185893 /nfs/dbraw/zinc/18/58/93/835185893.db2.gz YJYLMIYEZLCAFA-UHFFFAOYSA-N -1 0 300.278 -0.243 20 0 DBADRM COc1nn(C)cc1C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001265902954 835195347 /nfs/dbraw/zinc/19/53/47/835195347.db2.gz ZAPWUAKJIFUWJS-UHFFFAOYSA-N -1 0 323.357 -0.496 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-][C@@H](C(=O)OC)C(F)(F)F ZINC001201924072 835220121 /nfs/dbraw/zinc/22/01/21/835220121.db2.gz XITUWFBIDCUONZ-ZETCQYMHSA-N -1 0 321.273 -0.037 20 0 DBADRM C[C@H]1[C@H](NC(=O)NCc2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001202636725 835258049 /nfs/dbraw/zinc/25/80/49/835258049.db2.gz JKSJIPZFWLPXFO-WPRPVWTQSA-N -1 0 313.335 -0.112 20 0 DBADRM NC(=O)CCCCC(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001266539406 835333591 /nfs/dbraw/zinc/33/35/91/835333591.db2.gz AVQNFGYEKBICSI-SNVBAGLBSA-N -1 0 324.385 -0.506 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)COCC1CC1 ZINC001206205708 835383792 /nfs/dbraw/zinc/38/37/92/835383792.db2.gz USULOYYLZHVMDU-MWLCHTKSSA-N -1 0 309.370 -0.127 20 0 DBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccccc1O ZINC001206202109 835384134 /nfs/dbraw/zinc/38/41/34/835384134.db2.gz WEBHBIIBRWGCNU-UHFFFAOYSA-N -1 0 313.295 -0.597 20 0 DBADRM CCNC(=O)CC(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001266839600 835393710 /nfs/dbraw/zinc/39/37/10/835393710.db2.gz DZGQWLVZGDHNRU-SNVBAGLBSA-N -1 0 324.385 -0.493 20 0 DBADRM CN(CCNCc1nccs1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001267461406 835516815 /nfs/dbraw/zinc/51/68/15/835516815.db2.gz OSCQHVDVTQWUGJ-UHFFFAOYSA-N -1 0 312.355 -0.606 20 0 DBADRM O=C(Nc1ccccc1)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001267651877 835552807 /nfs/dbraw/zinc/55/28/07/835552807.db2.gz YFEZIJNDISDUDE-UHFFFAOYSA-N -1 0 316.321 -0.551 20 0 DBADRM O=C(CCCCc1c[nH]nn1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001268352362 835675321 /nfs/dbraw/zinc/67/53/21/835675321.db2.gz XCZAQHWBIBHKJF-UHFFFAOYSA-N -1 0 320.357 -0.658 20 0 DBADRM Cc1cc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cnn1 ZINC001268533794 835720501 /nfs/dbraw/zinc/72/05/01/835720501.db2.gz RCLUIBFVDHVGBG-IHWYPQMZSA-N -1 0 303.326 -0.315 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)c1cnn(CCF)c1 ZINC001268559927 835730913 /nfs/dbraw/zinc/73/09/13/835730913.db2.gz VIHDSTJAEHAIQD-UPHRSURJSA-N -1 0 323.332 -0.248 20 0 DBADRM O=C(Cc1cscn1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001268595397 835748116 /nfs/dbraw/zinc/74/81/16/835748116.db2.gz IESUXCSQVCSYFA-OWOJBTEDSA-N -1 0 308.367 -0.029 20 0 DBADRM C/C=C/C(=O)N1CCc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001268865382 835829028 /nfs/dbraw/zinc/82/90/28/835829028.db2.gz RKLKFHKPDKKXHZ-ONEGZZNKSA-N -1 0 316.325 -0.932 20 0 DBADRM COc1cc(CNC(=O)NCCn2cc(C(=O)[O-])nn2)ccn1 ZINC000321646410 970793257 /nfs/dbraw/zinc/79/32/57/970793257.db2.gz VEXBPSVDRKSFFO-UHFFFAOYSA-N -1 0 320.309 -0.121 20 0 DBADRM Cc1nn(C)c(C)c1CNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000321730841 970802145 /nfs/dbraw/zinc/80/21/45/970802145.db2.gz ZQGPWUGOPHOYTE-UHFFFAOYSA-N -1 0 321.341 -0.174 20 0 DBADRM Cn1nc(C2CC2)nc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001601008517 970906231 /nfs/dbraw/zinc/90/62/31/970906231.db2.gz WFUCNYRFGBVUPW-SECBINFHSA-N -1 0 314.367 -0.624 20 0 DBADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000324244570 971101348 /nfs/dbraw/zinc/10/13/48/971101348.db2.gz JKGSNPXPKPWUMU-WDEREUQCSA-N -1 0 317.301 -0.377 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N(CCO)C2CC2)C[C@H]1C1CC1 ZINC001602179671 971167016 /nfs/dbraw/zinc/16/70/16/971167016.db2.gz JLMGKPJCRIKKEM-NWDGAFQWSA-N -1 0 310.350 -0.461 20 0 DBADRM CC(=O)NC[C@]1(C)CN(c2ccnc(-c3nnn[n-]3)n2)CCO1 ZINC001573529795 946678318 /nfs/dbraw/zinc/67/83/18/946678318.db2.gz IUCCMDBTOFUKCM-CYBMUJFWSA-N -1 0 318.341 -0.612 20 0 DBADRM C[C@H](C(=O)N1CCn2nccc2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573648260 947905426 /nfs/dbraw/zinc/90/54/26/947905426.db2.gz YDENOQHWRZFJMA-MRVPVSSYSA-N -1 0 314.313 -0.742 20 0 DBADRM C[C@@H]1CCC[C@]1(O)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000328186990 971452986 /nfs/dbraw/zinc/45/29/86/971452986.db2.gz OXOOCSMUVKWESV-HQJQHLMTSA-N -1 0 303.340 -0.063 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000328410733 971471251 /nfs/dbraw/zinc/47/12/51/971471251.db2.gz OYGFUMDDRQOFEV-GMSGAONNSA-N -1 0 303.274 -0.417 20 0 DBADRM C[C@@H](C(=O)NCC[C@H](O)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001573708050 948441544 /nfs/dbraw/zinc/44/15/44/948441544.db2.gz QQRRMQSXVCYOOQ-CBAPKCEASA-N -1 0 306.330 -0.704 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)nn1)NCCc1ccc(F)cc1 ZINC001570918895 948579638 /nfs/dbraw/zinc/57/96/38/948579638.db2.gz VHGIIOWMXLIEJA-UHFFFAOYSA-N -1 0 316.300 -0.044 20 0 DBADRM COc1n[nH]c(NC(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)n1 ZINC001570920784 948606655 /nfs/dbraw/zinc/60/66/55/948606655.db2.gz CFJPLQMMHYJENW-UHFFFAOYSA-N -1 0 317.269 -0.345 20 0 DBADRM COc1cc(OC)nc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)n1 ZINC001570921335 948618293 /nfs/dbraw/zinc/61/82/93/948618293.db2.gz VWEJLFPWUMAVBC-UHFFFAOYSA-N -1 0 317.269 -0.351 20 0 DBADRM C[C@H](CNC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C1CC1 ZINC001570921708 948626992 /nfs/dbraw/zinc/62/69/92/948626992.db2.gz LVJJDBYIZDMQDJ-SSDOTTSWSA-N -1 0 319.325 -0.709 20 0 DBADRM CCN(CC(=O)OC)C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001570922494 948644121 /nfs/dbraw/zinc/64/41/21/948644121.db2.gz KHAQQBAQZXWCPN-UHFFFAOYSA-N -1 0 320.309 -0.089 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(N)=O ZINC001570922577 948645063 /nfs/dbraw/zinc/64/50/63/948645063.db2.gz MMIBGYHUFBEEKZ-FXQIFTODSA-N -1 0 321.345 -0.965 20 0 DBADRM CO[C@@H]([C@@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001570922805 948646744 /nfs/dbraw/zinc/64/67/44/948646744.db2.gz MTAPGCTZXFINFE-WEDXCCLWSA-N -1 0 320.357 -0.051 20 0 DBADRM Cn1cnc(CNS(=O)(=O)c2cccnc2-c2nnn[n-]2)c1 ZINC001570923339 948660585 /nfs/dbraw/zinc/66/05/85/948660585.db2.gz XYSTUSVJMSIGBK-UHFFFAOYSA-N -1 0 320.338 -0.526 20 0 DBADRM CC[C@H](C[C@H](C)CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001570923423 948662174 /nfs/dbraw/zinc/66/21/74/948662174.db2.gz XXHBPRQBCPFENR-JGVFFNPUSA-N -1 0 323.357 -0.125 20 0 DBADRM C[C@@H](C(=O)Nc1ncccc1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001573754706 948746125 /nfs/dbraw/zinc/74/61/25/948746125.db2.gz IQWIIWHTUNOFJJ-ZETCQYMHSA-N -1 0 315.297 -0.455 20 0 DBADRM CC[C@@H](CNC(=O)c1nc2ncc(CCO)cn2n1)C(=O)[O-] ZINC001589553193 948772538 /nfs/dbraw/zinc/77/25/38/948772538.db2.gz YFGGTLIOXHVKRJ-VIFPVBQESA-N -1 0 307.310 -0.500 20 0 DBADRM CC[C@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)OC ZINC001589554542 948776750 /nfs/dbraw/zinc/77/67/50/948776750.db2.gz PSNJOMYAVOCFLE-SECBINFHSA-N -1 0 322.383 -0.183 20 0 DBADRM CC[C@H](CO)N(C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589555108 948782818 /nfs/dbraw/zinc/78/28/18/948782818.db2.gz GWYRCJHPJBPZBQ-GHMZBOCLSA-N -1 0 315.370 -0.136 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001589555195 948784022 /nfs/dbraw/zinc/78/40/22/948784022.db2.gz LDNQUGVNANPSNZ-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001589555201 948784197 /nfs/dbraw/zinc/78/41/97/948784197.db2.gz LIAHHFXMMAWQKR-PELKAZGASA-N -1 0 306.384 -0.069 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001589555276 948786386 /nfs/dbraw/zinc/78/63/86/948786386.db2.gz OPXBWANBDZZOMD-BDAKNGLRSA-N -1 0 309.388 -0.324 20 0 DBADRM C[C@@H](C(=O)Nc1ccn(C)c(=O)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001573756127 948797792 /nfs/dbraw/zinc/79/77/92/948797792.db2.gz XOFBHIGOFODRTE-ZETCQYMHSA-N -1 0 315.297 -0.643 20 0 DBADRM C[C@H](C(=O)Nc1ccn(C)c(=O)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001573756126 948797836 /nfs/dbraw/zinc/79/78/36/948797836.db2.gz XOFBHIGOFODRTE-SSDOTTSWSA-N -1 0 315.297 -0.643 20 0 DBADRM C[C@H](NC(=O)COCC(=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000041064228 948861011 /nfs/dbraw/zinc/86/10/11/948861011.db2.gz GACPPXSMGJLOHW-QMMMGPOBSA-N -1 0 316.335 -0.388 20 0 DBADRM CC[C@@](O)(CN1CCS(=O)(=O)C[C@H]1C(=O)[O-])C(F)(F)F ZINC001589573135 948921561 /nfs/dbraw/zinc/92/15/61/948921561.db2.gz JXJHGFRRPSYPCK-IONNQARKSA-N -1 0 319.301 -0.127 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N(CCOC)CCC(=O)[O-])nn1 ZINC001589575284 948937885 /nfs/dbraw/zinc/93/78/85/948937885.db2.gz GOGKBCGWBWMORI-SNVBAGLBSA-N -1 0 314.342 -0.388 20 0 DBADRM CC[C@@H](OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)[O-] ZINC001589578850 948993971 /nfs/dbraw/zinc/99/39/71/948993971.db2.gz QMVSDTNDTJKUQF-SECBINFHSA-N -1 0 321.289 -0.348 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC000080669948 949012390 /nfs/dbraw/zinc/01/23/90/949012390.db2.gz XYLVKWFLDYUFTD-SSDOTTSWSA-N -1 0 302.312 -0.530 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCC(=O)N(C)C)C1 ZINC001589583858 949020571 /nfs/dbraw/zinc/02/05/71/949020571.db2.gz FYGDZVLWHUSLKY-CQSZACIVSA-N -1 0 313.354 -0.706 20 0 DBADRM C[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@@H](C(=O)[O-])O1 ZINC000347506848 971525924 /nfs/dbraw/zinc/52/59/24/971525924.db2.gz XONOLGYRAOSOER-SKDRFNHKSA-N -1 0 322.317 -0.135 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)CC1 ZINC000089169483 949107730 /nfs/dbraw/zinc/10/77/30/949107730.db2.gz BSNVZYBHGPMIFT-MNOVXSKESA-N -1 0 306.384 -0.222 20 0 DBADRM C[C@](O)(CNC(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC000090275660 949118293 /nfs/dbraw/zinc/11/82/93/949118293.db2.gz XBMHOXVEAKVPLB-ZDUSSCGKSA-N -1 0 315.347 -0.203 20 0 DBADRM COC(=O)c1ccccc1S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC000090277063 949123707 /nfs/dbraw/zinc/12/37/07/949123707.db2.gz LEMDSFPUHPYWDN-LBPRGKRZSA-N -1 0 317.319 -0.413 20 0 DBADRM CC(C)C[C@@H](CNC(=O)NCCCS(N)(=O)=O)C(=O)[O-] ZINC000094705803 949181465 /nfs/dbraw/zinc/18/14/65/949181465.db2.gz JKXQWFQMBSKZME-VIFPVBQESA-N -1 0 309.388 -0.289 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCc2nnc3n2CCOC3)nc1 ZINC001595220814 949243610 /nfs/dbraw/zinc/24/36/10/949243610.db2.gz HNNWCRGSJBYAOG-UHFFFAOYSA-N -1 0 303.278 -0.169 20 0 DBADRM O=C([O-])c1ccc(CN2CCN3[C@@H](CNS3(=O)=O)C2)s1 ZINC001595227710 949327506 /nfs/dbraw/zinc/32/75/06/949327506.db2.gz SCMJDXKHBZVVTJ-QMMMGPOBSA-N -1 0 317.392 -0.220 20 0 DBADRM CC[C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001589615049 949355670 /nfs/dbraw/zinc/35/56/70/949355670.db2.gz GHWBCGXKOOLYJQ-PGUXBMHVSA-N -1 0 312.366 -0.023 20 0 DBADRM CC[C@@]1(NC(=O)NCCOCCOCC(=O)[O-])CCOC1 ZINC001589615151 949358062 /nfs/dbraw/zinc/35/80/62/949358062.db2.gz HJUYASKIJFWEPU-CYBMUJFWSA-N -1 0 304.343 -0.028 20 0 DBADRM O=C([O-])c1cccc(C(=O)N[C@@H](CO)CN2CCOCC2)c1 ZINC001595240541 949446879 /nfs/dbraw/zinc/44/68/79/949446879.db2.gz DTNKLYKXUAZRED-CYBMUJFWSA-N -1 0 308.334 -0.192 20 0 DBADRM O=C([O-])C1(CNC(=O)NC[C@H]2CCS(=O)(=O)C2)CCC1 ZINC000166763420 949450032 /nfs/dbraw/zinc/45/00/32/949450032.db2.gz VEEWGQAKHDEUTQ-SECBINFHSA-N -1 0 304.368 -0.025 20 0 DBADRM O=C([O-])C1(CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC000166763305 949451797 /nfs/dbraw/zinc/45/17/97/949451797.db2.gz VEEWGQAKHDEUTQ-VIFPVBQESA-N -1 0 304.368 -0.025 20 0 DBADRM CC[C@@H]1CN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C[C@H](C)[S@@]1=O ZINC001589624911 949463559 /nfs/dbraw/zinc/46/35/59/949463559.db2.gz PGXPJSJJIFZNIT-WOCVVOTKSA-N -1 0 302.352 -0.026 20 0 DBADRM CCC[C@H](C(=O)N1CC[C@@](COC)(C(=O)[O-])C1)S(N)(=O)=O ZINC001589630502 949530348 /nfs/dbraw/zinc/53/03/48/949530348.db2.gz GLKVQAIQAJJRRG-BXKDBHETSA-N -1 0 322.383 -0.607 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC000229028575 949639261 /nfs/dbraw/zinc/63/92/61/949639261.db2.gz NLGHBNUAHUAAMQ-UTLUCORTSA-N -1 0 300.311 -0.177 20 0 DBADRM CC(C)NC(=O)[C@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000228925318 949639593 /nfs/dbraw/zinc/63/95/93/949639593.db2.gz MMIKEXAJOGOEMQ-VIFPVBQESA-N -1 0 321.399 -0.470 20 0 DBADRM C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1nc[nH]n1 ZINC000230418150 949682195 /nfs/dbraw/zinc/68/21/95/949682195.db2.gz HBBSMOMIZWWFDE-ZETCQYMHSA-N -1 0 303.344 -0.503 20 0 DBADRM CCCCN(CCO)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589647641 949746277 /nfs/dbraw/zinc/74/62/77/949746277.db2.gz GMLVGQJVTQKLAF-LLVKDONJSA-N -1 0 300.355 -0.069 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc(-n2cncn2)nc1)C(=O)[O-] ZINC000379149272 971605621 /nfs/dbraw/zinc/60/56/21/971605621.db2.gz BHJPDSQAZJPHRC-SECBINFHSA-N -1 0 319.277 -0.592 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCC3(CCNC3=O)CC2)cn1 ZINC001595267086 949759472 /nfs/dbraw/zinc/75/94/72/949759472.db2.gz IVBMSQMIFHOFHS-UHFFFAOYSA-N -1 0 304.306 -0.083 20 0 DBADRM CCCCNC(=O)NC(=O)CN[C@H](C(=O)[O-])c1ccnn1C ZINC001589650559 949774909 /nfs/dbraw/zinc/77/49/09/949774909.db2.gz PXPDZQORSPPNMQ-NSHDSACASA-N -1 0 311.342 -0.239 20 0 DBADRM CCCCNC(=O)NC(=O)CN[C@@H](C(=O)[O-])c1ccnn1C ZINC001589650554 949775047 /nfs/dbraw/zinc/77/50/47/949775047.db2.gz PXPDZQORSPPNMQ-LLVKDONJSA-N -1 0 311.342 -0.239 20 0 DBADRM CCCCNC(=O)NC(=O)COC(=O)c1cnc(C(=O)[O-])cn1 ZINC001589650685 949777425 /nfs/dbraw/zinc/77/74/25/949777425.db2.gz UVTOPIBSPOLHLV-UHFFFAOYSA-N -1 0 324.293 -0.043 20 0 DBADRM O=C([O-])c1cnc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cn1 ZINC001595267903 949778235 /nfs/dbraw/zinc/77/82/35/949778235.db2.gz KPEMOGYOOCNBLJ-QMMMGPOBSA-N -1 0 304.306 -0.085 20 0 DBADRM CCCN(C)S(=O)(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001589659307 949844594 /nfs/dbraw/zinc/84/45/94/949844594.db2.gz JWXLGJFCVHPKCQ-LLVKDONJSA-N -1 0 310.372 -0.625 20 0 DBADRM CCCN([C@@H]1CC(=O)N(C)C1=O)[C@H]1CCN(CC(=O)[O-])C1=O ZINC001589660585 949864040 /nfs/dbraw/zinc/86/40/40/949864040.db2.gz QMPCEUMACDSGOZ-VHSXEESVSA-N -1 0 311.338 -0.859 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001595273885 949881312 /nfs/dbraw/zinc/88/13/12/949881312.db2.gz QRNZQDAVBBUFSJ-DDBMDHPHSA-N -1 0 307.262 -0.233 20 0 DBADRM Cn1ncc(C(=O)NC[C@](C)(O)C(=O)[O-])c1Br ZINC000379218792 971616061 /nfs/dbraw/zinc/61/60/61/971616061.db2.gz RQDPGAWQFPUPQU-VIFPVBQESA-N -1 0 306.116 -0.252 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)[O-] ZINC000379222969 971617379 /nfs/dbraw/zinc/61/73/79/971617379.db2.gz KVHPSHKCSIQWMY-SECBINFHSA-N -1 0 322.273 -0.236 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1CCCN1C(=O)C1CC1)C2 ZINC001595277541 949936571 /nfs/dbraw/zinc/93/65/71/949936571.db2.gz GUEHORYIEPLMEA-MKBNYLNASA-N -1 0 322.361 -0.053 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2 ZINC001595280107 949969715 /nfs/dbraw/zinc/96/97/15/949969715.db2.gz NNMULWRBCAMTAU-XPTSAGLGSA-N -1 0 302.290 -0.098 20 0 DBADRM CCCN(CCO)C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001589674302 949972613 /nfs/dbraw/zinc/97/26/13/949972613.db2.gz LTSIUNHNXAWJFR-QWRGUYRKSA-N -1 0 300.355 -0.214 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001595282201 949981478 /nfs/dbraw/zinc/98/14/78/949981478.db2.gz HUDQHQOSNSZOIX-MWLCHTKSSA-N -1 0 323.349 -0.811 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCNC(=O)CC12CCOCC2 ZINC001595283102 949988483 /nfs/dbraw/zinc/98/84/83/949988483.db2.gz QWWPIXAVWLSFDS-GHMZBOCLSA-N -1 0 310.350 -0.005 20 0 DBADRM C[C@H](CNC(=O)[C@H](C)n1cncn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485296377 1013096623 /nfs/dbraw/zinc/09/66/23/1013096623.db2.gz PRAYFYHVTDMXAT-BDAKNGLRSA-N -1 0 308.346 -0.701 20 0 DBADRM CCCNC(=O)CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589676917 950003659 /nfs/dbraw/zinc/00/36/59/950003659.db2.gz MYKRXCQHGXWVQO-UHFFFAOYSA-N -1 0 308.294 -0.639 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCN2CCNC(=O)C2)C[C@H]1C1CC1 ZINC001595287389 950046578 /nfs/dbraw/zinc/04/65/78/950046578.db2.gz DJDNSFUOHPGQMX-NWDGAFQWSA-N -1 0 324.381 -0.830 20 0 DBADRM O=C([O-])c1ccccc1OCCOC(=O)CN1CC(=O)NC1=O ZINC001595287369 950047277 /nfs/dbraw/zinc/04/72/77/950047277.db2.gz CXPYFFUKEXKXQD-UHFFFAOYSA-N -1 0 322.273 -0.141 20 0 DBADRM O=C([O-])[C@]1(NCC(=O)N2CC(=O)Nc3ccccc32)CCOC1 ZINC001595287623 950051830 /nfs/dbraw/zinc/05/18/30/950051830.db2.gz IRIRXMRRRUKUHW-HNNXBMFYSA-N -1 0 319.317 -0.195 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001595292360 950080796 /nfs/dbraw/zinc/08/07/96/950080796.db2.gz OALREABKBOMQBM-JUXJKVCFSA-N -1 0 324.337 -0.377 20 0 DBADRM O=C([O-])C1(C(=O)OCCN2C(=O)CNC2=O)CCSCC1 ZINC001595293784 950096793 /nfs/dbraw/zinc/09/67/93/950096793.db2.gz UWLGDRZEOBWRKJ-UHFFFAOYSA-N -1 0 316.335 -0.321 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2C(=O)NCC23CCOCC3)C1 ZINC001595294088 950101207 /nfs/dbraw/zinc/10/12/07/950101207.db2.gz XHTRTZRGYKIRBQ-AXFHLTTASA-N -1 0 310.350 -0.101 20 0 DBADRM CC(C)(C)CC[C@H](CO)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001573842599 950154255 /nfs/dbraw/zinc/15/42/55/950154255.db2.gz IVEFTZQLRKRBQC-SECBINFHSA-N -1 0 322.373 -0.238 20 0 DBADRM CCN(C(=O)C(=O)Nc1cc2n(n1)CCN(C)C2)[C@H](C)C(=O)[O-] ZINC001589697375 950181596 /nfs/dbraw/zinc/18/15/96/950181596.db2.gz QPSXKEMMPSIRNP-SECBINFHSA-N -1 0 323.353 -0.411 20 0 DBADRM CCN([C@H](C)C(=O)[O-])S(=O)(=O)CCNS(=O)(=O)CC ZINC001589713267 950341876 /nfs/dbraw/zinc/34/18/76/950341876.db2.gz KEBQZFIWIBZZTA-MRVPVSSYSA-N -1 0 316.401 -0.950 20 0 DBADRM CCN([C@@H](C)C(=O)[O-])S(=O)(=O)CCS(=O)(=O)N(C)C ZINC001589713442 950345714 /nfs/dbraw/zinc/34/57/14/950345714.db2.gz RAYISUVVIYSURM-QMMMGPOBSA-N -1 0 316.401 -0.997 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589713639 950351899 /nfs/dbraw/zinc/35/18/99/950351899.db2.gz AALYMXCWKBWTAR-QMMMGPOBSA-N -1 0 322.321 -0.299 20 0 DBADRM CCN([C@@H](C)CS(C)(=O)=O)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001589713934 950358525 /nfs/dbraw/zinc/35/85/25/950358525.db2.gz VPTVOWWOERADOO-VHSXEESVSA-N -1 0 306.384 -0.573 20 0 DBADRM CC(C)C[C@H](CO)N(C)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001574163373 950422013 /nfs/dbraw/zinc/42/20/13/950422013.db2.gz SSILRXUTOHEMIR-MRVPVSSYSA-N -1 0 323.357 -0.903 20 0 DBADRM C[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@@H](C(=O)[O-])C1 ZINC000379997051 971668822 /nfs/dbraw/zinc/66/88/22/971668822.db2.gz ODHLBMXJOVZESA-DTWKUNHWSA-N -1 0 307.372 -0.906 20 0 DBADRM CCN(CCS(=O)(=O)CC(=O)[O-])C[C@@H](O)C(F)(F)F ZINC001589735055 950529828 /nfs/dbraw/zinc/52/98/28/950529828.db2.gz UTZAFSDNXABLBQ-SSDOTTSWSA-N -1 0 307.290 -0.269 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@H]1O ZINC000299989732 950533170 /nfs/dbraw/zinc/53/31/70/950533170.db2.gz CIIRAEZYKTXUEC-GXSJLCMTSA-N -1 0 306.384 -0.270 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@H]1O ZINC000299989733 950533485 /nfs/dbraw/zinc/53/34/85/950533485.db2.gz CIIRAEZYKTXUEC-MWLCHTKSSA-N -1 0 306.384 -0.270 20 0 DBADRM CCN1CC[C@@H](n2nnnc2N2CCC[C@H](C(=O)[O-])C2)C1=O ZINC001589741439 950602722 /nfs/dbraw/zinc/60/27/22/950602722.db2.gz PVPOKLSZXBMFES-VHSXEESVSA-N -1 0 308.342 -0.233 20 0 DBADRM C[S@](=O)C1(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000380123639 971678173 /nfs/dbraw/zinc/67/81/73/971678173.db2.gz ULDFEONJIYXYJU-IBGZPJMESA-N -1 0 321.380 -0.843 20 0 DBADRM CCN1C[C@H](NC(=O)NCCOCCOCC(=O)[O-])CC1=O ZINC001589741902 950613633 /nfs/dbraw/zinc/61/36/33/950613633.db2.gz HKEVFKTWXYKELS-SNVBAGLBSA-N -1 0 317.342 -0.976 20 0 DBADRM CCN1CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)[C@@H](C)C1 ZINC001589743860 950635419 /nfs/dbraw/zinc/63/54/19/950635419.db2.gz COZAHRZTZGICQT-JTQLQIEISA-N -1 0 323.353 -0.541 20 0 DBADRM CCN1CCN(C(=O)[C@@H](C)OC(=O)[C@H](OC)C(=O)[O-])CC1 ZINC001589744456 950655583 /nfs/dbraw/zinc/65/55/83/950655583.db2.gz RIBWLDRENOXCNK-NXEZZACHSA-N -1 0 302.327 -0.818 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC001589881798 950685292 /nfs/dbraw/zinc/68/52/92/950685292.db2.gz BUQUKFBIJURADK-LLVKDONJSA-N -1 0 312.326 -0.831 20 0 DBADRM Cn1[nH]cnc1=NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000380199799 971684179 /nfs/dbraw/zinc/68/41/79/971684179.db2.gz DPTJRJAOGBMOKK-UHFFFAOYSA-N -1 0 300.271 -0.125 20 0 DBADRM CCNC(=O)C(C)(C)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589882604 950695745 /nfs/dbraw/zinc/69/57/45/950695745.db2.gz RAIXKPBLFGETKD-VIFPVBQESA-N -1 0 313.354 -0.660 20 0 DBADRM CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)C(=O)[O-])cc1 ZINC001589960212 950737101 /nfs/dbraw/zinc/73/71/01/950737101.db2.gz NDONIQWZQJCKAN-UHFFFAOYSA-N -1 0 315.303 -0.205 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCS(N)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000312578332 950763465 /nfs/dbraw/zinc/76/34/65/950763465.db2.gz SZUGQMMKGULNHC-BDAKNGLRSA-N -1 0 307.372 -0.583 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001590057234 950767793 /nfs/dbraw/zinc/76/77/93/950767793.db2.gz DCVZYOMHENXKSD-JWUFEOHASA-N -1 0 314.338 -0.330 20 0 DBADRM CCOC(=O)[C@H](CSC)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001590129259 950797774 /nfs/dbraw/zinc/79/77/74/950797774.db2.gz KDKXNOZCWKXSPV-YUMQZZPRSA-N -1 0 304.324 -0.373 20 0 DBADRM CCOC(=O)[C@@H](CC)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001590129917 950808408 /nfs/dbraw/zinc/80/84/08/950808408.db2.gz SXYRJYPUMXMMAK-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM CCOC(=O)[C@@H](F)C1CN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001590137583 950822296 /nfs/dbraw/zinc/82/22/96/950822296.db2.gz JNZKIDSXWFGNBU-IUCAKERBSA-N -1 0 302.258 -0.425 20 0 DBADRM CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC001590138032 950828621 /nfs/dbraw/zinc/82/86/21/950828621.db2.gz OOIYBRPUJVPXDZ-QMMMGPOBSA-N -1 0 304.299 -0.356 20 0 DBADRM CN(Cc1nncn1C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000314777451 950829307 /nfs/dbraw/zinc/82/93/07/950829307.db2.gz KKYTYCRKXQSHFV-UHFFFAOYSA-N -1 0 317.371 -0.712 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@H](O)C2CCC2)CC1 ZINC000314905865 950831618 /nfs/dbraw/zinc/83/16/18/950831618.db2.gz FTDFDDNRNNTWSW-NSHDSACASA-N -1 0 306.384 -0.222 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@H](OC)C(=O)[O-])[C@@H]1CCCOC1 ZINC001590138812 950832606 /nfs/dbraw/zinc/83/26/06/950832606.db2.gz URNMNMBKSQESJI-BBBLOLIVSA-N -1 0 303.311 -0.440 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@H](OC)C(=O)[O-])[C@H]1CCCOC1 ZINC001590138811 950833346 /nfs/dbraw/zinc/83/33/46/950833346.db2.gz URNMNMBKSQESJI-AEJSXWLSSA-N -1 0 303.311 -0.440 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC000315048323 950835062 /nfs/dbraw/zinc/83/50/62/950835062.db2.gz JASBMPJTYTZVLQ-SCZZXKLOSA-N -1 0 318.351 -0.501 20 0 DBADRM CCOC(=O)C1(O)CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001590179170 950864030 /nfs/dbraw/zinc/86/40/30/950864030.db2.gz NLJFZSKUISMRLK-SECBINFHSA-N -1 0 314.294 -0.868 20 0 DBADRM CCOC(=O)[C@]1(C)CN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001590179311 950866840 /nfs/dbraw/zinc/86/68/40/950866840.db2.gz WSQHQNKDZMXBST-ZANVPECISA-N -1 0 314.294 -0.604 20 0 DBADRM O=C([O-])CC1(C(=O)NC2CC(CO)(CO)C2)CCOCC1 ZINC001594973067 950881409 /nfs/dbraw/zinc/88/14/09/950881409.db2.gz JAXJXJNXRYRNID-UHFFFAOYSA-N -1 0 301.339 -0.493 20 0 DBADRM CCOC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC001590208731 950887512 /nfs/dbraw/zinc/88/75/12/950887512.db2.gz MQZVFRYEUUNKKK-VHSXEESVSA-N -1 0 312.322 -0.669 20 0 DBADRM CCOC(=O)[C@H]1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001590208888 950890450 /nfs/dbraw/zinc/89/04/50/950890450.db2.gz OKJWBYLOITVHDC-VIFPVBQESA-N -1 0 310.310 -0.222 20 0 DBADRM O=C([O-])CC1(C(=O)NCC(=O)N2CCOCC2)CCOCC1 ZINC001594974865 950910616 /nfs/dbraw/zinc/91/06/16/950910616.db2.gz XGTOSMAILRPEDO-UHFFFAOYSA-N -1 0 314.338 -0.767 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CN1CCCCCC1=O)C(=O)[O-] ZINC000317992641 950920067 /nfs/dbraw/zinc/92/00/67/950920067.db2.gz SLLGKSNYVNOULG-JTQLQIEISA-N -1 0 314.338 -0.088 20 0 DBADRM CCOC(=O)CCCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001590414361 950956759 /nfs/dbraw/zinc/95/67/59/950956759.db2.gz XZIVZRMRCATFFC-SNVBAGLBSA-N -1 0 314.338 -0.231 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC000319468735 950958959 /nfs/dbraw/zinc/95/89/59/950958959.db2.gz QICCKEQZNOOXJO-QMTHXVAHSA-N -1 0 313.354 -0.273 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CCOCC1 ZINC001594978688 950959949 /nfs/dbraw/zinc/95/99/49/950959949.db2.gz SORISTBKWKXJLT-SECBINFHSA-N -1 0 324.337 -0.314 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC000319468737 950960386 /nfs/dbraw/zinc/96/03/86/950960386.db2.gz QICCKEQZNOOXJO-YGRLFVJLSA-N -1 0 313.354 -0.273 20 0 DBADRM CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC001590873747 951008683 /nfs/dbraw/zinc/00/86/83/951008683.db2.gz PWSMKQSHKQXPJQ-ZDCRXTMVSA-N -1 0 314.338 -0.337 20 0 DBADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001594984818 951015652 /nfs/dbraw/zinc/01/56/52/951015652.db2.gz ZVDMIJODTXWDNG-NWDGAFQWSA-N -1 0 311.338 -0.294 20 0 DBADRM CCOC(=O)NCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001590884294 951017500 /nfs/dbraw/zinc/01/75/00/951017500.db2.gz UDPXHJTWHAYBHA-VIFPVBQESA-N -1 0 315.326 -0.686 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](O)[C@@H](F)C2)C1 ZINC001594987476 951026938 /nfs/dbraw/zinc/02/69/38/951026938.db2.gz DADHWMXFZLTXOP-DCAQKATOSA-N -1 0 316.329 -0.369 20 0 DBADRM C[NH+](C)CCN(CC(=O)[O-])C(=O)c1ccc(OCC(N)=O)cc1 ZINC000322619538 951033321 /nfs/dbraw/zinc/03/33/21/951033321.db2.gz VDNCKJOFDUYXGT-UHFFFAOYSA-N -1 0 323.349 -0.361 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CCC3(COC3)C2)C1 ZINC001594988338 951035776 /nfs/dbraw/zinc/03/57/76/951035776.db2.gz ZLFPDUFGMRHTJK-NSHDSACASA-N -1 0 310.350 -0.051 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)c2cnn(C[C@H](O)CO)c2)C1 ZINC001594993256 951054253 /nfs/dbraw/zinc/05/42/53/951054253.db2.gz WDGKHHUBVHIDRT-PWSUYJOCSA-N -1 0 311.338 -0.437 20 0 DBADRM CCOC(=O)c1cc(CS(=O)(=O)N[C@H](C)C(=O)[O-])on1 ZINC001591091794 951056677 /nfs/dbraw/zinc/05/66/77/951056677.db2.gz DZDPRSJWCKBIEG-ZCFIWIBFSA-N -1 0 306.296 -0.256 20 0 DBADRM O=C([O-])C[C@H]1CCCN(c2nnnn2C[C@H]2COCCO2)C1 ZINC001594993693 951067528 /nfs/dbraw/zinc/06/75/28/951067528.db2.gz HCCSBNGSRGLDLL-MNOVXSKESA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)N2CCC(O)(CO)CC2)CO1 ZINC001595000932 951122530 /nfs/dbraw/zinc/12/25/30/951122530.db2.gz NVMUCGRASNXNKE-MNOVXSKESA-N -1 0 301.339 -0.398 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2CCC(O)(CO)CC2)CO1 ZINC001595000930 951122757 /nfs/dbraw/zinc/12/27/57/951122757.db2.gz NVMUCGRASNXNKE-GHMZBOCLSA-N -1 0 301.339 -0.398 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NC[C@@H]2CCS(=O)(=O)C2)CO1 ZINC001595001156 951127487 /nfs/dbraw/zinc/12/74/87/951127487.db2.gz KFJQNEFSJAODBF-GARJFASQSA-N -1 0 319.379 -0.193 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N[C@H]2CCc3nnnn3CC2)CO1 ZINC001595001815 951138723 /nfs/dbraw/zinc/13/87/23/951138723.db2.gz PMZHEBXGJRTJFY-OUAUKWLOSA-N -1 0 323.353 -0.236 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NC[C@@H]2CN3CCN2CC3)CO1 ZINC001595002009 951141023 /nfs/dbraw/zinc/14/10/23/951141023.db2.gz RANDOVXQFKRXTF-YNEHKIRRSA-N -1 0 311.382 -0.628 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001591877596 951234652 /nfs/dbraw/zinc/23/46/52/951234652.db2.gz PUQDNUJSPSXPFT-BDAKNGLRSA-N -1 0 302.283 -0.748 20 0 DBADRM CCOc1cnc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cn1 ZINC001593060564 951395440 /nfs/dbraw/zinc/39/54/40/951395440.db2.gz JVHGXLRIGNNNGD-UHFFFAOYSA-N -1 0 308.294 -0.756 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)N(CCOC)CCC(=O)[O-] ZINC001593277105 951415618 /nfs/dbraw/zinc/41/56/18/951415618.db2.gz CNHMCECPILFSDK-SNVBAGLBSA-N -1 0 324.399 -0.058 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC001595041154 951425263 /nfs/dbraw/zinc/42/52/63/951425263.db2.gz QYOINZZDWTVWQV-UHFFFAOYSA-N -1 0 311.338 -0.809 20 0 DBADRM O=C([O-])CCCCNC(=O)N1CCC(C(=O)NCCO)CC1 ZINC001595042010 951427941 /nfs/dbraw/zinc/42/79/41/951427941.db2.gz IVWOZYFNVWMAHS-UHFFFAOYSA-N -1 0 315.370 -0.229 20 0 DBADRM C[S@](=O)C1(CNC(=O)c2cn(CC(=O)[O-])nn2)CCC1 ZINC000393769571 951440472 /nfs/dbraw/zinc/44/04/72/951440472.db2.gz WODKQRRYXFYEHQ-FQEVSTJZSA-N -1 0 300.340 -0.606 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC001595048551 951457654 /nfs/dbraw/zinc/45/76/54/951457654.db2.gz WBHFFHQCHMKLKI-MRVPVSSYSA-N -1 0 307.297 -0.577 20 0 DBADRM O=C([O-])CCN(C(=O)CC1CS(=O)(=O)C1)C1CCOCC1 ZINC001595053091 951480664 /nfs/dbraw/zinc/48/06/64/951480664.db2.gz FLUCJTZZLHBPAA-UHFFFAOYSA-N -1 0 319.379 -0.097 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000397012173 951498305 /nfs/dbraw/zinc/49/83/05/951498305.db2.gz IXDDYVZXHZQGCS-OUAUKWLOSA-N -1 0 318.395 -0.525 20 0 DBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC000397024501 951502171 /nfs/dbraw/zinc/50/21/71/951502171.db2.gz JKLARACUICMAHS-LPEHRKFASA-N -1 0 319.383 -0.871 20 0 DBADRM O=C([O-])CCNC(=O)c1cn(CCO)nc1C1CCOCC1 ZINC001595061541 951518839 /nfs/dbraw/zinc/51/88/39/951518839.db2.gz KZPIFZIYJRZWOK-UHFFFAOYSA-N -1 0 311.338 -0.026 20 0 DBADRM O=C([O-])CN(CC1CC1)S(=O)(=O)CCN1CCOC1=O ZINC001595071839 951600908 /nfs/dbraw/zinc/60/09/08/951600908.db2.gz AFANCSGPIGBMQQ-UHFFFAOYSA-N -1 0 306.340 -0.435 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC[C@H]([C@H](O)C(F)(F)F)C2)C1=O ZINC001595072150 951604526 /nfs/dbraw/zinc/60/45/26/951604526.db2.gz NRUBXUMLSYKLIU-NRPADANISA-N -1 0 310.272 -0.083 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCCS(N)(=O)=O)C1 ZINC000398775988 951607687 /nfs/dbraw/zinc/60/76/87/951607687.db2.gz DYBRTXWGOFUCOI-BDAKNGLRSA-N -1 0 307.372 -0.583 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)N2CCS(=O)(=O)CC2)C1 ZINC000398779999 951609766 /nfs/dbraw/zinc/60/97/66/951609766.db2.gz GHRVYVLNFJDBFY-VHSXEESVSA-N -1 0 304.368 -0.121 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000398827882 951612378 /nfs/dbraw/zinc/61/23/78/951612378.db2.gz GUZYBYOFNLZYGZ-GMTAPVOTSA-N -1 0 318.395 -0.668 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCS(=O)(=O)C[C@@H]2C2CC2)C1=O ZINC001595074016 951624114 /nfs/dbraw/zinc/62/41/14/951624114.db2.gz LDZTZIWEWNAGPF-WDEREUQCSA-N -1 0 316.379 -0.819 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCOC[C@H]2C[C@@H]2CCOC2)C1=O ZINC001595074432 951632044 /nfs/dbraw/zinc/63/20/44/951632044.db2.gz RRJKTKOZIOTINA-XQQFMLRXSA-N -1 0 312.366 -0.201 20 0 DBADRM C[C@@H]1CC[C@H](O)CN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000399233417 951636223 /nfs/dbraw/zinc/63/62/23/951636223.db2.gz GRERWPGKGZJSPU-KOLCDFICSA-N -1 0 306.384 -0.127 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC001595074886 951639312 /nfs/dbraw/zinc/63/93/12/951639312.db2.gz ZJHJFFZJDZZTNU-NSHDSACASA-N -1 0 321.333 -0.277 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000400194149 951645849 /nfs/dbraw/zinc/64/58/49/951645849.db2.gz NVHUVQHHZQDIHK-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@H]2CCNC(=O)CC2)C1=O ZINC001595081637 951686668 /nfs/dbraw/zinc/68/66/68/951686668.db2.gz BOJMSVLJZOBXSC-NXEZZACHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)COCc2cccnc2)C1=O ZINC001595081791 951688694 /nfs/dbraw/zinc/68/86/94/951688694.db2.gz XANGONMQZAWLKF-LLVKDONJSA-N -1 0 308.290 -0.173 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1=O ZINC001595082420 951696694 /nfs/dbraw/zinc/69/66/94/951696694.db2.gz PYJPABFSQYFWQT-MRVPVSSYSA-N -1 0 320.261 -0.494 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCOC[C@H]2C2CC2)C1=O ZINC001595082605 951699999 /nfs/dbraw/zinc/69/99/99/951699999.db2.gz GVVRXKPGDYUHDN-RYUDHWBXSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)Cc2cnn3c2CCCC3)C1=O ZINC001595082718 951700988 /nfs/dbraw/zinc/70/09/88/951700988.db2.gz UMWZHPKCMIZTHM-LBPRGKRZSA-N -1 0 321.333 -0.009 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@H]2C[C@H](O)C23CCC3)C1=O ZINC001595082925 951703992 /nfs/dbraw/zinc/70/39/92/951703992.db2.gz HXFYURXQYAFSRL-VWYCJHECSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)c2cc(F)cc3n[nH]nc32)C1=O ZINC001595083077 951706562 /nfs/dbraw/zinc/70/65/62/951706562.db2.gz YFJRCYNEERQATL-VIFPVBQESA-N -1 0 322.252 -0.061 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)C1=O ZINC001595083574 951710121 /nfs/dbraw/zinc/71/01/21/951710121.db2.gz LLERRKREYPWTBB-SBFPOUOMSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)C1=O ZINC001595083571 951710235 /nfs/dbraw/zinc/71/02/35/951710235.db2.gz LLERRKREYPWTBB-MEWQQHAOSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1=O ZINC001595083919 951713127 /nfs/dbraw/zinc/71/31/27/951713127.db2.gz NFSAWEPMHDYBNF-QCNOEVLYSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCO[C@@H](CF)C2)C1=O ZINC001595083983 951713963 /nfs/dbraw/zinc/71/39/63/951713963.db2.gz NNRRHHLCDIYLAV-UWVGGRQHSA-N -1 0 302.302 -0.494 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCc3c[nH]nc3C2)C1=O ZINC001595084313 951714822 /nfs/dbraw/zinc/71/48/22/951714822.db2.gz OBKVBKOQLBDAOV-JTQLQIEISA-N -1 0 306.322 -0.382 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@H](CO)CC2CCC2)C1=O ZINC001595085914 951727445 /nfs/dbraw/zinc/72/74/45/951727445.db2.gz XETVMGMVRHNUCA-RYUDHWBXSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC(OC(F)F)C2)C1=O ZINC001595086009 951728059 /nfs/dbraw/zinc/72/80/59/951728059.db2.gz GMMUQWGEVIMSFQ-MRVPVSSYSA-N -1 0 306.265 -0.240 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCC[C@@H]3COC[C@@H]32)C1=O ZINC001595086400 951733299 /nfs/dbraw/zinc/73/32/99/951733299.db2.gz JLWQSDIUIMBFDS-UTUOFQBUSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC([C@H]3CCOC3)C2)C1=O ZINC001595087164 951743054 /nfs/dbraw/zinc/74/30/54/951743054.db2.gz QUXDJOYRCBAUFG-CMPLNLGQSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)OCC(=O)[C@@H]2CCOC2)C1=O ZINC001595087491 951746208 /nfs/dbraw/zinc/74/62/08/951746208.db2.gz OEUSNDSCXIJPIA-ZJUUUORDSA-N -1 0 313.306 -0.542 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)O[C@@H]2CC(=O)N(C3CC3)C2)C1=O ZINC001595087716 951749148 /nfs/dbraw/zinc/74/91/48/951749148.db2.gz RBDDSVIMVOWJMP-GHMZBOCLSA-N -1 0 324.333 -0.384 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC(F)(F)C[C@@H]2CO)C1=O ZINC001595087761 951750512 /nfs/dbraw/zinc/75/05/12/951750512.db2.gz XWWMXKKRBKGTSB-BDAKNGLRSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)/C=C/Cn2cncn2)C1=O ZINC001595089825 951761706 /nfs/dbraw/zinc/76/17/06/951761706.db2.gz JAOMDTCDTONBEY-TZNOJPMFSA-N -1 0 321.337 -0.584 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NC2(CO)CCC2)C1=O ZINC001595090086 951764257 /nfs/dbraw/zinc/76/42/57/951764257.db2.gz FGEIKQLRQXEEMT-SNVBAGLBSA-N -1 0 313.354 -0.334 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)CCc2ncccn2)C1=O ZINC001595090399 951768282 /nfs/dbraw/zinc/76/82/82/951768282.db2.gz OVJMBIUWCGIIJN-LLVKDONJSA-N -1 0 320.349 -0.009 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)[C@H]2CCCNC2=O)C1=O ZINC001595090742 951771073 /nfs/dbraw/zinc/77/10/73/951771073.db2.gz SDXNANXCBRIPRM-UWVGGRQHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NC[C@@H]2CCCO2)C1=O ZINC001595091554 951780054 /nfs/dbraw/zinc/78/00/54/951780054.db2.gz SHGFNYTZFKYHTI-WDEREUQCSA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NCc2ccon2)C1=O ZINC001595093214 951797852 /nfs/dbraw/zinc/79/78/52/951797852.db2.gz HBGXGPSTFQAJOG-JTQLQIEISA-N -1 0 310.310 -0.061 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N[C@@H]2CCC[C@H]2O)C1=O ZINC001595094465 951802903 /nfs/dbraw/zinc/80/29/03/951802903.db2.gz SPRUOIJQHDERRR-OUAUKWLOSA-N -1 0 313.354 -0.335 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NS(=O)(=O)NC2CC2)C1=O ZINC001595095965 951813156 /nfs/dbraw/zinc/81/31/56/951813156.db2.gz CAKNSUAFYDQQSV-VIFPVBQESA-N -1 0 305.356 -0.962 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)c2c[nH]c(=S)[nH]2)C1=O ZINC001595096713 951820615 /nfs/dbraw/zinc/82/06/15/951820615.db2.gz RBZLGSMPVCUKBS-ZETCQYMHSA-N -1 0 312.351 -0.106 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC001595096895 951824557 /nfs/dbraw/zinc/82/45/57/951824557.db2.gz CGAQSQDZTSCZLC-UHFFFAOYSA-N -1 0 309.253 -0.749 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NS(=O)(=O)C2CCC2)C1=O ZINC001595097184 951827576 /nfs/dbraw/zinc/82/75/76/951827576.db2.gz XNHIIYJXUPANNJ-SNVBAGLBSA-N -1 0 304.368 -0.076 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)c2ncccc2O)C1=O ZINC001595097319 951829674 /nfs/dbraw/zinc/82/96/74/951829674.db2.gz YJAAERATRKLQQC-SECBINFHSA-N -1 0 307.306 -0.017 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)C[C@@H]1COc2ccccc2O1 ZINC001595098844 951845524 /nfs/dbraw/zinc/84/55/24/951845524.db2.gz VKTJUBJOHXZCTD-SECBINFHSA-N -1 0 309.274 -0.040 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cnnn1-c1cccc(F)c1 ZINC001595099134 951847649 /nfs/dbraw/zinc/84/76/49/951847649.db2.gz LZTMISHOOKNUPF-UHFFFAOYSA-N -1 0 322.252 -0.236 20 0 DBADRM O=C([O-])COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001595106942 951880962 /nfs/dbraw/zinc/88/09/62/951880962.db2.gz JIROFDFVIRCBJW-UHFFFAOYSA-N -1 0 319.291 -0.458 20 0 DBADRM O=C([O-])COCC(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001595110782 951904337 /nfs/dbraw/zinc/90/43/37/951904337.db2.gz KQPLWVDKUKUXQR-UHFFFAOYSA-N -1 0 323.257 -0.155 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCC[C@H]1c1ccccn1 ZINC001595112336 951913239 /nfs/dbraw/zinc/91/32/39/951913239.db2.gz QJDOIWVDJBOTMY-LBPRGKRZSA-N -1 0 321.333 -0.038 20 0 DBADRM O=C([O-])COCCOCCNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001595112905 951919386 /nfs/dbraw/zinc/91/93/86/951919386.db2.gz OPSOUVBOWQFPFP-JTQLQIEISA-N -1 0 323.367 -0.955 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCc2nccnc2C1 ZINC001595113652 951928069 /nfs/dbraw/zinc/92/80/69/951928069.db2.gz DYWCRJNIYIFVBD-UHFFFAOYSA-N -1 0 324.337 -0.338 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CC[C@@H](O)[C@@H](F)C1 ZINC001595113690 951928680 /nfs/dbraw/zinc/92/86/80/951928680.db2.gz GRQSAEMQIZJCGR-VHSXEESVSA-N -1 0 308.306 -0.782 20 0 DBADRM CN1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598598157 1017325597 /nfs/dbraw/zinc/32/55/97/1017325597.db2.gz LBBSGUZISIPGJQ-UWVGGRQHSA-N -1 0 314.367 -0.035 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1ccc(Cl)nn1 ZINC001595114865 951939585 /nfs/dbraw/zinc/93/95/85/951939585.db2.gz PIUJPUSVIDCHRY-UHFFFAOYSA-N -1 0 303.702 -0.022 20 0 DBADRM O=C([O-])COCCOCCNS(=O)(=O)C1CCC(=O)CC1 ZINC001595115827 951943107 /nfs/dbraw/zinc/94/31/07/951943107.db2.gz BQZHIHQRRLHZML-UHFFFAOYSA-N -1 0 323.367 -0.465 20 0 DBADRM O=C([O-])COc1ccc(C(=O)NC[C@H]2CN3CCN2CC3)cc1 ZINC001595117958 951951154 /nfs/dbraw/zinc/95/11/54/951951154.db2.gz LXWJJVRJCKGMAN-ZDUSSCGKSA-N -1 0 319.361 -0.120 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N2CCN(CCO)CC2)cc1 ZINC001595118782 951958851 /nfs/dbraw/zinc/95/88/51/951958851.db2.gz UMHSMODSELASHE-UHFFFAOYSA-N -1 0 308.334 -0.100 20 0 DBADRM O=C([O-])COc1cccc(C(=O)NC[C@@H]2CN3CCN2CC3)c1 ZINC001595122695 951980502 /nfs/dbraw/zinc/98/05/02/951980502.db2.gz UAMRDDFZMNSTSN-CYBMUJFWSA-N -1 0 319.361 -0.120 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1C(=O)OC2(CCCC2)C1=O ZINC001595123522 951987516 /nfs/dbraw/zinc/98/75/16/951987516.db2.gz GODKVWGYQRHAFR-UHFFFAOYSA-N -1 0 305.308 -0.223 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC2(CC1)OCCCO2 ZINC001595124592 952001037 /nfs/dbraw/zinc/00/10/37/952001037.db2.gz UVXFXDIDLXIBDJ-UHFFFAOYSA-N -1 0 307.368 -0.285 20 0 DBADRM O=C([O-])CSCC(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001595125237 952008606 /nfs/dbraw/zinc/00/86/06/952008606.db2.gz MCBZVKPJLIWALD-SNVBAGLBSA-N -1 0 314.367 -0.248 20 0 DBADRM O=C([O-])CSCC(=O)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001595125321 952009855 /nfs/dbraw/zinc/00/98/55/952009855.db2.gz QTCCJNRHJGODHL-DTWKUNHWSA-N -1 0 307.393 -0.303 20 0 DBADRM O=C([O-])CSCC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC001595126409 952015738 /nfs/dbraw/zinc/01/57/38/952015738.db2.gz WBSVRSWIVNYPRO-DTWKUNHWSA-N -1 0 307.393 -0.018 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NCc2cn[nH]n2)c1 ZINC001595130617 952032161 /nfs/dbraw/zinc/03/21/61/952032161.db2.gz KITATYJBMVCKOP-UHFFFAOYSA-N -1 0 303.278 -0.313 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001595138440 952068110 /nfs/dbraw/zinc/06/81/10/952068110.db2.gz MAZSVNAOCALIFE-YRGRVCCFSA-N -1 0 307.302 -0.335 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)nn1 ZINC001595140332 952073971 /nfs/dbraw/zinc/07/39/71/952073971.db2.gz RERWFXHAORJJNC-PSASIEDQSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@](CO)(C(F)(F)F)C2)nn1 ZINC001595141632 952083698 /nfs/dbraw/zinc/08/36/98/952083698.db2.gz CADUAGTZFZUPFX-JTQLQIEISA-N -1 0 322.243 -0.250 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCOC[C@@H]2C[C@H]2CCOC2)nn1 ZINC001595141760 952084732 /nfs/dbraw/zinc/08/47/32/952084732.db2.gz FCQRLZYXTBTOAW-MNOVXSKESA-N -1 0 324.337 -0.370 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@H]2CCOC23CCOCC3)nn1 ZINC001595142108 952087672 /nfs/dbraw/zinc/08/76/72/952087672.db2.gz KHLSTBHVADQSEK-JTQLQIEISA-N -1 0 310.310 -0.569 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCOCC3(CCOCC3)C2)nn1 ZINC001595142552 952092517 /nfs/dbraw/zinc/09/25/17/952092517.db2.gz NLIVHWCKAZNAMZ-UHFFFAOYSA-N -1 0 324.337 -0.368 20 0 DBADRM CN(c1nnnn1C)S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000382165941 971802138 /nfs/dbraw/zinc/80/21/38/971802138.db2.gz OFPSCURWJQVFTL-UHFFFAOYSA-N -1 0 315.286 -0.128 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCC2(CF)CCOCC2)nn1 ZINC001595143256 952098886 /nfs/dbraw/zinc/09/88/86/952098886.db2.gz XKTFTYCUMIQOAX-UHFFFAOYSA-N -1 0 300.290 -0.141 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCNC(=O)c3ccccc32)nn1 ZINC001595143360 952099255 /nfs/dbraw/zinc/09/92/55/952099255.db2.gz ZKLVWRCECTYHTG-UHFFFAOYSA-N -1 0 315.289 -0.247 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)[C@H]2CCCS(=O)(=O)C2)cn1 ZINC001595145929 952113019 /nfs/dbraw/zinc/11/30/19/952113019.db2.gz OTXQDISKRYIRQC-QMMMGPOBSA-N -1 0 301.324 -0.269 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)/C=C\c2ccncn2)nn1 ZINC001595146301 952115096 /nfs/dbraw/zinc/11/50/96/952115096.db2.gz AEKBBJBSEKGAHS-UPHRSURJSA-N -1 0 303.278 -0.048 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCCc2ccoc2)n1 ZINC001595151424 952135180 /nfs/dbraw/zinc/13/51/80/952135180.db2.gz WDLDNBVLMUKBST-UHFFFAOYSA-N -1 0 306.278 -0.142 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N[C@@H](CO)[C@H]2CCCOC2)n1 ZINC001595152156 952143082 /nfs/dbraw/zinc/14/30/82/952143082.db2.gz NXNBMCAEDHUDJO-UWVGGRQHSA-N -1 0 312.326 -0.123 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CC(N3CC[C@@H](O)C3)C2)n1 ZINC001595152351 952143970 /nfs/dbraw/zinc/14/39/70/952143970.db2.gz RMBWZCIDVCYIJB-SNVBAGLBSA-N -1 0 309.326 -0.750 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CC(n3ccnn3)C2)c1=O ZINC001595152976 952149275 /nfs/dbraw/zinc/14/92/75/952149275.db2.gz NZIJMHLERWCVHQ-UHFFFAOYSA-N -1 0 303.278 -0.779 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCC[C@H](OCCO)C2)c1=O ZINC001595153540 952151622 /nfs/dbraw/zinc/15/16/22/952151622.db2.gz AWLDFTNWCDITAG-NSHDSACASA-N -1 0 324.333 -0.454 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NC[C@H](CO)[C@H]2CCOC2)c1=O ZINC001595154766 952159473 /nfs/dbraw/zinc/15/94/73/952159473.db2.gz KWLRIHCDAOPTQT-WDEREUQCSA-N -1 0 324.333 -0.692 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@H]2CCCC23OCCO3)c1=O ZINC001595155163 952162612 /nfs/dbraw/zinc/16/26/12/952162612.db2.gz PNCYWDUOAJZRAJ-NSHDSACASA-N -1 0 322.317 -0.042 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NC[C@H](O)c2cnc[nH]2)c1=O ZINC001595155783 952166489 /nfs/dbraw/zinc/16/64/89/952166489.db2.gz XBCKQWVHHXEQRB-JTQLQIEISA-N -1 0 306.278 -0.881 20 0 DBADRM O=C([O-])Cn1cnc(N2C(=O)[C@@H]3[C@H]4CCC[C@@H]4CN3C2=O)n1 ZINC001595158310 952178582 /nfs/dbraw/zinc/17/85/82/952178582.db2.gz RLSOUFFZBQPHQZ-WEDXCCLWSA-N -1 0 305.294 -0.070 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@H]1C[C@H](O)C12CCC2 ZINC001595169941 952222453 /nfs/dbraw/zinc/22/24/53/952222453.db2.gz YAOMJWFGECWBRL-GUBZILKMSA-N -1 0 304.368 -0.327 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(CCO)CCN2CCOCC2)C1 ZINC001595173630 952232812 /nfs/dbraw/zinc/23/28/12/952232812.db2.gz OEOCWOVZEMOCNB-QWHCGFSZSA-N -1 0 314.382 -0.360 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001595177901 952241364 /nfs/dbraw/zinc/24/13/64/952241364.db2.gz VGMALHKTRQBTHG-HBNTYKKESA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@]23CCOC3=O)C1 ZINC001595195462 952297206 /nfs/dbraw/zinc/29/72/06/952297206.db2.gz DEVKDDJHWPOKMK-BONVTDFDSA-N -1 0 324.333 -0.382 20 0 DBADRM O=C([O-])[C@H]1CCCCN1C(=O)c1nc2ncc(CCO)cn2n1 ZINC001595196810 952302364 /nfs/dbraw/zinc/30/23/64/952302364.db2.gz NYCBQNINYRQIKT-SNVBAGLBSA-N -1 0 319.321 -0.262 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCOC2CCOCC2)C1 ZINC001595201377 952313136 /nfs/dbraw/zinc/31/31/36/952313136.db2.gz RTZTYDPADGIRDH-AOOOYVTPSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1C[C@@H]1CCOC1)C2 ZINC001595203181 952319009 /nfs/dbraw/zinc/31/90/09/952319009.db2.gz OERPFOCDAHMEOW-OPQQBVKSSA-N -1 0 309.326 -0.753 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)[nH]n1 ZINC001595207576 952340450 /nfs/dbraw/zinc/34/04/50/952340450.db2.gz XRJZSRDNLQGWHE-LLVKDONJSA-N -1 0 322.321 -0.429 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H](N3CCOCC3)C2)nn1 ZINC000382675704 971830064 /nfs/dbraw/zinc/83/00/64/971830064.db2.gz YQIPFJNTUSQMGV-LLVKDONJSA-N -1 0 323.353 -0.701 20 0 DBADRM CC(=O)NCCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000383453879 971871032 /nfs/dbraw/zinc/87/10/32/971871032.db2.gz DGOUNYHLILZNBU-UHFFFAOYSA-N -1 0 307.372 -0.856 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@@H]2Cc3cnccc3NC2=O)[nH]n1 ZINC001594737756 953351859 /nfs/dbraw/zinc/35/18/59/953351859.db2.gz VDRLGXJTZUCQGR-MRVPVSSYSA-N -1 0 301.262 -0.204 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000402496616 953352816 /nfs/dbraw/zinc/35/28/16/953352816.db2.gz FFQGCFXZJWAWFC-VXNVDRBHSA-N -1 0 301.324 -0.903 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000402496613 953352842 /nfs/dbraw/zinc/35/28/42/953352842.db2.gz FFQGCFXZJWAWFC-APPZFPTMSA-N -1 0 301.324 -0.903 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])[C@H](C)C1 ZINC001593354093 953353692 /nfs/dbraw/zinc/35/36/92/953353692.db2.gz RVULLCTZPSIHDG-BXKDBHETSA-N -1 0 322.383 -0.642 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)C(=O)[O-])C1 ZINC001593354122 953354094 /nfs/dbraw/zinc/35/40/94/953354094.db2.gz VEYGLUUCNPTWSM-QMMMGPOBSA-N -1 0 307.324 -0.755 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC000402570464 953357607 /nfs/dbraw/zinc/35/76/07/953357607.db2.gz MMVSCTQEJWZVEO-SCZZXKLOSA-N -1 0 309.326 -0.547 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC000402570463 953357842 /nfs/dbraw/zinc/35/78/42/953357842.db2.gz MMVSCTQEJWZVEO-PSASIEDQSA-N -1 0 309.326 -0.547 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@@H](O)[C@H]2CCCO2)c1 ZINC001594738448 953358420 /nfs/dbraw/zinc/35/84/20/953358420.db2.gz WBPMHQLBBMEOMG-VXGBXAGGSA-N -1 0 322.317 -0.021 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2cnn(C)c2)C1 ZINC001589266133 953370443 /nfs/dbraw/zinc/37/04/43/953370443.db2.gz NLRVGRKZNXGBEZ-ZYHUDNBSSA-N -1 0 322.365 -0.052 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589265908 953370903 /nfs/dbraw/zinc/37/09/03/953370903.db2.gz MQYXJXWAGALSQD-OUAUKWLOSA-N -1 0 323.353 -0.648 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cnn(C)c2)C1 ZINC001589266559 953373622 /nfs/dbraw/zinc/37/36/22/953373622.db2.gz UJOGDUQVOTYMBG-KOLCDFICSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NC[C@H]2COCCO2)C1 ZINC001589266427 953373815 /nfs/dbraw/zinc/37/38/15/953373815.db2.gz RTLNVDIEYCUGCE-VWYCJHECSA-N -1 0 314.338 -0.913 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@@H]2CCN=C3C2=NNN3C)C1 ZINC001589268044 953381812 /nfs/dbraw/zinc/38/18/12/953381812.db2.gz IAJPOMISQHDYGZ-OPRDCNLKSA-N -1 0 307.354 -0.220 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001594746625 953393568 /nfs/dbraw/zinc/39/35/68/953393568.db2.gz ZYAVPBTTXLONRJ-SBMIAAHKSA-N -1 0 305.352 -0.847 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NC[C@H]2CC[C@H](O)C2)c1 ZINC001594748149 953399145 /nfs/dbraw/zinc/39/91/45/953399145.db2.gz HSSOWGVIGJISNP-KWQFWETISA-N -1 0 307.306 -0.005 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC2CCSCC2)CCO1 ZINC001594750805 953427413 /nfs/dbraw/zinc/42/74/13/953427413.db2.gz IVYYWMWXILNMSQ-JTQLQIEISA-N -1 0 316.379 -0.442 20 0 DBADRM O=C(NCC1CCS(=O)(=O)CC1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594751583 953444212 /nfs/dbraw/zinc/44/42/12/953444212.db2.gz VYOLQWIXEMIGMZ-AOOOYVTPSA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCC[C@@]1(O)CCOC1)C2 ZINC001594754348 953461185 /nfs/dbraw/zinc/46/11/85/953461185.db2.gz QGEJECYPPBDNQB-LERXQTSPSA-N -1 0 314.338 -0.730 20 0 DBADRM O=C([O-])c1cc(NC(=O)NCCCN2C(=O)CNC2=O)ccn1 ZINC001594756821 953465544 /nfs/dbraw/zinc/46/55/44/953465544.db2.gz GCWCMFNOTHANTE-UHFFFAOYSA-N -1 0 321.293 -0.157 20 0 DBADRM O=C(NCCCN1CCCS1(=O)=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594757016 953468673 /nfs/dbraw/zinc/46/86/73/953468673.db2.gz XVPROLFXWCYTPW-AOOOYVTPSA-N -1 0 319.383 -0.426 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NCCCn2ccnn2)c1 ZINC001594758622 953490413 /nfs/dbraw/zinc/49/04/13/953490413.db2.gz SHELLZVLMVZVEL-UHFFFAOYSA-N -1 0 318.293 -0.484 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=S)NCCNS(C)(=O)=O)C1 ZINC001589280383 953497006 /nfs/dbraw/zinc/49/70/06/953497006.db2.gz YNILIADIPNEFHX-RKDXNWHRSA-N -1 0 323.440 -0.547 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(C(=O)NCCO)CC2)C1 ZINC001594758989 953497072 /nfs/dbraw/zinc/49/70/72/953497072.db2.gz UWLNFGFXAOGXFU-NWDGAFQWSA-N -1 0 312.366 -0.166 20 0 DBADRM CC[C@]1(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001485315231 1013115661 /nfs/dbraw/zinc/11/56/61/1013115661.db2.gz ZZZINKITYMKPJQ-OTYXRUKQSA-N -1 0 324.385 -0.637 20 0 DBADRM CC[C@H](NC(=O)Nc1ccc(S(=O)(=O)NC)cn1)C(=O)[O-] ZINC001593619414 953521673 /nfs/dbraw/zinc/52/16/73/953521673.db2.gz SUWNDASIGYNBFR-QMMMGPOBSA-N -1 0 316.339 -0.026 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)NCCc2cnccn2)CC1 ZINC001594765693 953527285 /nfs/dbraw/zinc/52/72/85/953527285.db2.gz OGGPLIVCEQDTRE-UHFFFAOYSA-N -1 0 320.349 -0.105 20 0 DBADRM CC[C@H](NC(=O)c1cc(S(N)(=O)=O)cnc1C)C(=O)[O-] ZINC001593621243 953528375 /nfs/dbraw/zinc/52/83/75/953528375.db2.gz VCXMJKFBUJBVSE-VIFPVBQESA-N -1 0 301.324 -0.370 20 0 DBADRM CCc1c(C(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)cnn1C ZINC001593627030 953558499 /nfs/dbraw/zinc/55/84/99/953558499.db2.gz WEUXTFWGHMIBPC-AWEZNQCLSA-N -1 0 311.338 -0.075 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1C[C@H](C)C[C@H](CO)C1)C(=O)[O-] ZINC001589285761 953568098 /nfs/dbraw/zinc/56/80/98/953568098.db2.gz FZQRBINYEWYWEK-GRYCIOLGSA-N -1 0 314.382 -0.064 20 0 DBADRM C[C@@H]1C[C@H](CO)CN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001589286018 953572941 /nfs/dbraw/zinc/57/29/41/953572941.db2.gz LEJAYZLIEGDPHW-GRYCIOLGSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001589288188 953582536 /nfs/dbraw/zinc/58/25/36/953582536.db2.gz BZAUQUVDSTUYNY-RKDXNWHRSA-N -1 0 310.310 -0.410 20 0 DBADRM CCc1cc(NC(=O)C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)no1 ZINC001593632839 953586149 /nfs/dbraw/zinc/58/61/49/953586149.db2.gz GPPRHMCBLJJODB-SNVBAGLBSA-N -1 0 321.293 -0.149 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)no1 ZINC001593633067 953589131 /nfs/dbraw/zinc/58/91/31/953589131.db2.gz UEVBVEIUYBLONH-XLKFXECMSA-N -1 0 323.305 -0.265 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CS1 ZINC001589290313 953595269 /nfs/dbraw/zinc/59/52/69/953595269.db2.gz RHMFFDIIINMRCB-VGMNWLOBSA-N -1 0 302.352 -0.691 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2cn(CC(=O)[O-])nn2)CCS1(=O)=O ZINC001589291747 953608843 /nfs/dbraw/zinc/60/88/43/953608843.db2.gz RWNQHRFCLAWZDZ-HTQZYQBOSA-N -1 0 316.339 -0.942 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)c2ncnn21 ZINC001589291735 953608929 /nfs/dbraw/zinc/60/89/29/953608929.db2.gz RAWFRHUMLCDNHX-PSASIEDQSA-N -1 0 317.305 -0.040 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CCOCC2)CCS1(=O)=O ZINC001589291994 953611578 /nfs/dbraw/zinc/61/15/78/953611578.db2.gz BQPKNLNMUJUILS-UWVGGRQHSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H]1CC2(CC(NC(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)C2)CO1 ZINC001589296725 953652897 /nfs/dbraw/zinc/65/28/97/953652897.db2.gz RAKQFDPZFPPXBY-HXBIFKHQSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001594787090 953680544 /nfs/dbraw/zinc/68/05/44/953680544.db2.gz GTKJKCZPRAPJBC-USZNOCQGSA-N -1 0 320.349 -0.214 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)C1 ZINC001594789752 953687220 /nfs/dbraw/zinc/68/72/20/953687220.db2.gz GXOHKSBJDRBRAL-LVZLTFGCSA-N -1 0 314.363 -0.912 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCC[C@H]1C1OCCO1 ZINC001594795097 953708826 /nfs/dbraw/zinc/70/88/26/953708826.db2.gz SDELWGSYQWJBGK-GUBZILKMSA-N -1 0 312.322 -0.670 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)C1 ZINC001594795388 953712738 /nfs/dbraw/zinc/71/27/38/953712738.db2.gz OTJFETLUPKZDGY-CKYFFXLPSA-N -1 0 323.353 -0.020 20 0 DBADRM CCc1nnc2ccc(N3CCO[C@@](COC)(C(=O)[O-])C3)nn21 ZINC001593653555 953724211 /nfs/dbraw/zinc/72/42/11/953724211.db2.gz HQOWKXLDIXSPLD-AWEZNQCLSA-N -1 0 321.337 -0.007 20 0 DBADRM C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589310777 953792943 /nfs/dbraw/zinc/79/29/43/953792943.db2.gz ZTMWGNOBCYFIAM-GUBZILKMSA-N -1 0 319.383 -0.634 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CS1(=O)=O ZINC001589311862 953794096 /nfs/dbraw/zinc/79/40/96/953794096.db2.gz COHUFMIBPFPTIQ-BHNWBGBOSA-N -1 0 304.324 -0.702 20 0 DBADRM CCN1C(=O)N=NC1C1CCN(C(=O)COCC(=O)[O-])CC1 ZINC001593660550 953795513 /nfs/dbraw/zinc/79/55/13/953795513.db2.gz MBZXKFBFIXVENY-UHFFFAOYSA-N -1 0 312.326 -0.189 20 0 DBADRM C[C@@H]1CC[C@H](CNC(=O)NCCOCCOCC(=O)[O-])O1 ZINC001589312599 953803213 /nfs/dbraw/zinc/80/32/13/953803213.db2.gz ZQQWLJBDTVZOSS-GHMZBOCLSA-N -1 0 304.343 -0.029 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC001594810509 953810854 /nfs/dbraw/zinc/81/08/54/953810854.db2.gz HIERIGZRTSDJES-GZMMTYOYSA-N -1 0 308.290 -0.865 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC001594810512 953812018 /nfs/dbraw/zinc/81/20/18/953812018.db2.gz HIERIGZRTSDJES-LDYMZIIASA-N -1 0 308.290 -0.865 20 0 DBADRM CCn1c(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nnc1C1(O)CC1 ZINC001593663378 953814391 /nfs/dbraw/zinc/81/43/91/953814391.db2.gz NQGACKZGNDDAHH-NOZJJQNGSA-N -1 0 308.338 -0.183 20 0 DBADRM C[C@@H]1C[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)[C@@H](C)O1 ZINC000384856411 971962332 /nfs/dbraw/zinc/96/23/32/971962332.db2.gz GOPXLAWHZYGVMR-MRTMQBJTSA-N -1 0 303.340 -0.188 20 0 DBADRM CCn1cc(C(=O)C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cn1 ZINC001593665496 953837376 /nfs/dbraw/zinc/83/73/76/953837376.db2.gz YJGSMORBEKJNAK-SNVBAGLBSA-N -1 0 305.294 -0.239 20 0 DBADRM CCn1cc(Cl)c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC001593665939 953844966 /nfs/dbraw/zinc/84/49/66/953844966.db2.gz SVAFGHNCELHFFG-UHFFFAOYSA-N -1 0 314.729 -0.075 20 0 DBADRM CCn1ccc(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001593666266 953852234 /nfs/dbraw/zinc/85/22/34/953852234.db2.gz LQNZMXMQQTWXLO-LLVKDONJSA-N -1 0 308.338 -0.158 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N(CCO)CC2CC2)c1 ZINC001594815227 953854828 /nfs/dbraw/zinc/85/48/28/953854828.db2.gz NNGHPTWAIJJRHZ-UHFFFAOYSA-N -1 0 307.306 -0.051 20 0 DBADRM O=C([O-])c1cncc(NC(=O)N[C@H]2CCCN(CCO)C2=O)c1 ZINC001594816778 953867601 /nfs/dbraw/zinc/86/76/01/953867601.db2.gz NXZWMOOXNUQDTN-NSHDSACASA-N -1 0 322.321 -0.115 20 0 DBADRM CCn1nc(C)c(CNC(=O)c2cccn(CC(=O)[O-])c2=O)n1 ZINC001593670335 953875284 /nfs/dbraw/zinc/87/52/84/953875284.db2.gz RSXDRHXDAIULQN-UHFFFAOYSA-N -1 0 319.321 -0.217 20 0 DBADRM CCn1nc(C)c(CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1C ZINC001593670602 953878107 /nfs/dbraw/zinc/87/81/07/953878107.db2.gz FVLLOTJATZAKSA-UHFFFAOYSA-N -1 0 322.365 -0.182 20 0 DBADRM CN(C(=O)C(=O)NCCC(=O)[O-])[C@@H]1CCCc2c1cnn2C ZINC001593674495 953903349 /nfs/dbraw/zinc/90/33/49/953903349.db2.gz TWVHNYCDMCHQDD-SNVBAGLBSA-N -1 0 308.338 -0.153 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001593674575 953904990 /nfs/dbraw/zinc/90/49/90/953904990.db2.gz UZISGIWONCQVGR-ZYHUDNBSSA-N -1 0 309.366 -0.385 20 0 DBADRM CN(C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)C1CS(=O)(=O)C1 ZINC001593675170 953915553 /nfs/dbraw/zinc/91/55/53/953915553.db2.gz NKWKQBZHKBHLNM-PSASIEDQSA-N -1 0 305.352 -0.488 20 0 DBADRM C[C@@H]1CCCN(C(=O)c2cnn(C[C@@H](O)CO)c2)[C@H]1C(=O)[O-] ZINC001589328049 953927457 /nfs/dbraw/zinc/92/74/57/953927457.db2.gz MKJKSTMOMJMWCE-YUSALJHKSA-N -1 0 311.338 -0.438 20 0 DBADRM O=C([O-])C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC001594823568 953927686 /nfs/dbraw/zinc/92/76/86/953927686.db2.gz RCOHHSSLPKRVJN-UHFFFAOYSA-N -1 0 310.331 -0.326 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2CCc3ncncc3C2)CC1 ZINC001594825632 953937100 /nfs/dbraw/zinc/93/71/00/953937100.db2.gz MBTVTKQNTBBBQV-JTQLQIEISA-N -1 0 318.333 -0.663 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)C(=O)c2ccc(F)cc2)CC1 ZINC001594825593 953937276 /nfs/dbraw/zinc/93/72/76/953937276.db2.gz JQLJLJVPNVAQPP-UHFFFAOYSA-N -1 0 308.265 -0.236 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)CCc2ccc(=O)[nH]c2)CC1 ZINC001594825711 953938186 /nfs/dbraw/zinc/93/81/86/953938186.db2.gz NVSBRPIGRXDUGH-UHFFFAOYSA-N -1 0 307.306 -0.525 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H](O)CCc2ccccc2)CC1 ZINC001594825951 953939357 /nfs/dbraw/zinc/93/93/57/953939357.db2.gz RFNCTAXOJBXZCQ-ZDUSSCGKSA-N -1 0 320.345 -0.265 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC001594827034 953945215 /nfs/dbraw/zinc/94/52/15/953945215.db2.gz VXJBUVKXRRVGEG-UHFFFAOYSA-N -1 0 320.305 -0.571 20 0 DBADRM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCC(=O)[O-])C1 ZINC001593680963 953952329 /nfs/dbraw/zinc/95/23/29/953952329.db2.gz DKXAPKZVCHPTOT-NXEZZACHSA-N -1 0 313.354 -0.660 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ncnc3[nH]ccc32)CC1 ZINC001594828154 953954255 /nfs/dbraw/zinc/95/42/55/953954255.db2.gz BYDZBOLKYHMMFL-UHFFFAOYSA-N -1 0 303.278 -0.722 20 0 DBADRM C[C@H]1CCCN(S(=O)(=O)N2CCN(C)CC2)[C@H]1C(=O)[O-] ZINC001589332741 953956034 /nfs/dbraw/zinc/95/60/34/953956034.db2.gz CTZBWFGHAWIZIP-WDEREUQCSA-N -1 0 305.400 -0.336 20 0 DBADRM CN(C(=O)[C@@H]1CC[C@@H]1C(=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC001593681430 953958446 /nfs/dbraw/zinc/95/84/46/953958446.db2.gz MOJJZBWUCZZLFE-MNOVXSKESA-N -1 0 318.395 -0.020 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)O1 ZINC001593682072 953965451 /nfs/dbraw/zinc/96/54/51/953965451.db2.gz ONMATVUTJKNDQZ-NAKRPEOUSA-N -1 0 313.354 -0.215 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@]2(C(=O)[O-])CCCO2)O1 ZINC001593682354 953968044 /nfs/dbraw/zinc/96/80/44/953968044.db2.gz RHSQXAHTFNVHFV-BFVZDQMLSA-N -1 0 314.338 -0.628 20 0 DBADRM O=C([O-])[C@@H](C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)C1CCCC1 ZINC001594831642 953971005 /nfs/dbraw/zinc/97/10/05/953971005.db2.gz FXKAJUFLRBSMIP-NXEZZACHSA-N -1 0 309.322 -0.360 20 0 DBADRM CN(C)C(=O)NCCNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593686191 953989285 /nfs/dbraw/zinc/98/92/85/953989285.db2.gz CCYHEOOZTQUVRY-UWVGGRQHSA-N -1 0 301.343 -0.356 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001593686652 953991749 /nfs/dbraw/zinc/99/17/49/953991749.db2.gz FBJNMBZFAOXNJG-QMTHXVAHSA-N -1 0 313.354 -0.166 20 0 DBADRM C[C@H]1CCN(C(=O)C2(CS(C)(=O)=O)COC2)C[C@H]1C(=O)[O-] ZINC001589335569 953991978 /nfs/dbraw/zinc/99/19/78/953991978.db2.gz HELJMIDQFFEGOY-VHSXEESVSA-N -1 0 319.379 -0.383 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001593686656 953992474 /nfs/dbraw/zinc/99/24/74/953992474.db2.gz FBJNMBZFAOXNJG-YGRLFVJLSA-N -1 0 313.354 -0.166 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCS1(=O)=O ZINC001589335921 953993399 /nfs/dbraw/zinc/99/33/99/953993399.db2.gz HZDCXIRTUFIJFH-APPZFPTMSA-N -1 0 304.324 -0.749 20 0 DBADRM CN(C)C(=O)O[C@H]1CCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001593687020 953994580 /nfs/dbraw/zinc/99/45/80/953994580.db2.gz POLPZKNEDSJPJB-QMMMGPOBSA-N -1 0 311.298 -0.725 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001593687171 953995746 /nfs/dbraw/zinc/99/57/46/953995746.db2.gz OGFJPLYFZHXAQX-WDEREUQCSA-N -1 0 312.370 -0.387 20 0 DBADRM O=C([O-])C1(C(=O)N2C[C@H](O)C3(CC3)C2)CCS(=O)(=O)CC1 ZINC001594842971 954097153 /nfs/dbraw/zinc/09/71/53/954097153.db2.gz BAJCYMSDQQHVIM-VIFPVBQESA-N -1 0 317.363 -0.751 20 0 DBADRM C[C@H]1CCN(C(=S)NCCNS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC001589353562 954106113 /nfs/dbraw/zinc/10/61/13/954106113.db2.gz VHPGPBINEFIFEV-IUCAKERBSA-N -1 0 323.440 -0.547 20 0 DBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](N2C(=O)CNC2=O)C1=O ZINC001594843960 954112662 /nfs/dbraw/zinc/11/26/62/954112662.db2.gz QGFYCTTXGBNFNI-PWSUYJOCSA-N -1 0 317.301 -0.035 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)C[C@H]2CN(C)CCO2)C[C@H]1C(=O)[O-] ZINC001589355223 954125550 /nfs/dbraw/zinc/12/55/50/954125550.db2.gz HEDOGAGPBBBHGL-IJLUTSLNSA-N -1 0 320.411 -0.311 20 0 DBADRM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCCC(=O)[O-])C1 ZINC001593704195 954146729 /nfs/dbraw/zinc/14/67/29/954146729.db2.gz PRXJPUIQOGZIJT-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001593704370 954147249 /nfs/dbraw/zinc/14/72/49/954147249.db2.gz SQBGUZMOEOHREK-GFCCVEGCSA-N -1 0 320.367 -0.840 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001593704372 954147934 /nfs/dbraw/zinc/14/79/34/954147934.db2.gz SQBGUZMOEOHREK-LBPRGKRZSA-N -1 0 320.367 -0.840 20 0 DBADRM C[C@H]1CCN(c2nnnn2CCN2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001589360795 954154201 /nfs/dbraw/zinc/15/42/01/954154201.db2.gz DVQZOIDGEBMVLN-RYUDHWBXSA-N -1 0 324.385 -0.448 20 0 DBADRM CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCCC(=O)[O-])C1 ZINC001593708199 954157133 /nfs/dbraw/zinc/15/71/33/954157133.db2.gz JWVSFEPWDUNDPL-SECBINFHSA-N -1 0 322.387 -0.969 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)CCCO1 ZINC001594847543 954157506 /nfs/dbraw/zinc/15/75/06/954157506.db2.gz MLRVNGGBLZEACC-GBIKHYSHSA-N -1 0 317.363 -0.487 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001593708204 954157663 /nfs/dbraw/zinc/15/76/63/954157663.db2.gz KHJKDUKSIIYYQG-GFCCVEGCSA-N -1 0 319.383 -0.690 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001593708210 954157748 /nfs/dbraw/zinc/15/77/48/954157748.db2.gz KOCBGYIWDZUVFB-JTQLQIEISA-N -1 0 321.399 -0.658 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CCN(c3ncc(F)cn3)CC2)CCCO1 ZINC001594849037 954164714 /nfs/dbraw/zinc/16/47/14/954164714.db2.gz IZPNWFXYSDTJFZ-AWEZNQCLSA-N -1 0 324.312 -0.102 20 0 DBADRM O=C([O-])C1(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)CC=CC1 ZINC001594849365 954167593 /nfs/dbraw/zinc/16/75/93/954167593.db2.gz ONPFHMNODSORHA-LLVKDONJSA-N -1 0 306.322 -0.074 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CCN(c3ncccn3)CC2)CCCO1 ZINC001594849867 954171357 /nfs/dbraw/zinc/17/13/57/954171357.db2.gz VNYPRMYAKXBADM-CQSZACIVSA-N -1 0 306.322 -0.241 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)N(CCO)CCCO ZINC000385255799 971991513 /nfs/dbraw/zinc/99/15/13/971991513.db2.gz LGLNZBGJCBCMJA-UHFFFAOYSA-N -1 0 309.365 -0.188 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC[C@H](CO)C2)CCS(=O)(=O)CC1 ZINC001594850841 954184497 /nfs/dbraw/zinc/18/44/97/954184497.db2.gz QAVGROIQBCTUBL-JTQLQIEISA-N -1 0 319.379 -0.503 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[C@H]1C(=O)[O-] ZINC001589365597 954188151 /nfs/dbraw/zinc/18/81/51/954188151.db2.gz QZEZGPMVWCGUDD-YVECIDJPSA-N -1 0 323.393 -0.282 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C[C@H](C)C1O ZINC001589365674 954189268 /nfs/dbraw/zinc/18/92/68/954189268.db2.gz VHOQEXPWSMTEGF-GARJFASQSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1)C(=O)[O-] ZINC001589365784 954190918 /nfs/dbraw/zinc/19/09/18/954190918.db2.gz WARAGWJYSWAUIR-IMSIIYSGSA-N -1 0 314.338 -0.770 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CCN(Cc3ccno3)CC2)CCCO1 ZINC001594851239 954190899 /nfs/dbraw/zinc/19/08/99/954190899.db2.gz IHLREUYKAKGYMJ-CQSZACIVSA-N -1 0 309.322 -0.047 20 0 DBADRM CN(C)c1cccnc1CNC(=O)c1cn(CC(=O)[O-])nn1 ZINC001593712691 954194640 /nfs/dbraw/zinc/19/46/40/954194640.db2.gz KLAFMZUVCGBYQN-UHFFFAOYSA-N -1 0 304.310 -0.246 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC(=O)N1 ZINC001589366178 954197746 /nfs/dbraw/zinc/19/77/46/954197746.db2.gz JXFGYNOPXPDDQK-VIFPVBQESA-N -1 0 319.317 -0.401 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H](CO)CCF)CCS(=O)(=O)CC1 ZINC001594851735 954199117 /nfs/dbraw/zinc/19/91/17/954199117.db2.gz GLCCVWCSNGCBMH-MRVPVSSYSA-N -1 0 311.331 -0.897 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)CC[C@H]1C(=O)[O-] ZINC001589366411 954199483 /nfs/dbraw/zinc/19/94/83/954199483.db2.gz NMDUXXOMAJGRQZ-MWLCHTKSSA-N -1 0 321.333 -0.107 20 0 DBADRM CN(C)c1cccc(CNCCS(=O)(=O)CC(=O)[O-])n1 ZINC001593714767 954200997 /nfs/dbraw/zinc/20/09/97/954200997.db2.gz MAWPBNYSLHVZSA-UHFFFAOYSA-N -1 0 301.368 -0.263 20 0 DBADRM O=C([O-])C1(C(=O)N[C@H](CO)CC2OCCO2)CCSCC1 ZINC001594852468 954206357 /nfs/dbraw/zinc/20/63/57/954206357.db2.gz VBEMXEXBPVGPSL-VIFPVBQESA-N -1 0 319.379 -0.176 20 0 DBADRM O=C([O-])c1ccc(CS(=O)(=O)N(CCO)CCCO)cc1 ZINC000385313518 971995151 /nfs/dbraw/zinc/99/51/51/971995151.db2.gz ZKHMWXZLXODRJX-UHFFFAOYSA-N -1 0 317.363 -0.109 20 0 DBADRM CN(C)c1nc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])ns1 ZINC001593715137 954207804 /nfs/dbraw/zinc/20/78/04/954207804.db2.gz HSZFAOZBXIBFAR-SSDOTTSWSA-N -1 0 320.396 -0.712 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC001589367768 954207857 /nfs/dbraw/zinc/20/78/57/954207857.db2.gz ZLWLUBIRMXPSPN-KXUCPTDWSA-N -1 0 302.327 -0.772 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)OC(C)(C)C)CCN1C(=O)C(=O)[O-] ZINC001589367806 954208390 /nfs/dbraw/zinc/20/83/90/954208390.db2.gz ZUXCUXJOLLHYFI-MRVPVSSYSA-N -1 0 300.311 -0.528 20 0 DBADRM C[C@H]1CN(C(=O)C2CN(S(C)(=O)=O)C2)CC[C@@H]1C(=O)[O-] ZINC001589371888 954213505 /nfs/dbraw/zinc/21/35/05/954213505.db2.gz HHSOLPSYIDCRBK-WPRPVWTQSA-N -1 0 304.368 -0.553 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)NC2CCC(C(=O)[O-])CC2)n1 ZINC001593715454 954214126 /nfs/dbraw/zinc/21/41/26/954214126.db2.gz QANKFNJYRWVVMY-UHFFFAOYSA-N -1 0 308.342 -0.107 20 0 DBADRM CN(CC(=O)N1CCC[C@@]1(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001593716254 954221176 /nfs/dbraw/zinc/22/11/76/954221176.db2.gz BPDVWSVPDOJCGN-GWCFXTLKSA-N -1 0 318.395 -0.429 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC001593716486 954223850 /nfs/dbraw/zinc/22/38/50/954223850.db2.gz PLBNYPNNCVKJER-UHFFFAOYSA-N -1 0 301.343 -0.262 20 0 DBADRM CN(C1CC1)S(=O)(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593716878 954229258 /nfs/dbraw/zinc/22/92/58/954229258.db2.gz QGYNYHKPTYGSFZ-JTQLQIEISA-N -1 0 319.383 -0.619 20 0 DBADRM CN(C1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1)S(C)(=O)=O ZINC001593717098 954230882 /nfs/dbraw/zinc/23/08/82/954230882.db2.gz VJIMUBGNVYLGNU-WDEREUQCSA-N -1 0 318.395 -0.020 20 0 DBADRM CN(C1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1)S(C)(=O)=O ZINC001593717097 954231443 /nfs/dbraw/zinc/23/14/43/954231443.db2.gz VJIMUBGNVYLGNU-GHMZBOCLSA-N -1 0 318.395 -0.020 20 0 DBADRM O=C([O-])[C@]1(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)CC=CCC1 ZINC001594855767 954231862 /nfs/dbraw/zinc/23/18/62/954231862.db2.gz CIIFEJQFJVIJSK-QWHCGFSZSA-N -1 0 317.363 -0.537 20 0 DBADRM CN(CC(=O)NCc1ccccc1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC001593719042 954238605 /nfs/dbraw/zinc/23/86/05/954238605.db2.gz JLENECFWKQNTAY-ZDUSSCGKSA-N -1 0 319.361 -0.080 20 0 DBADRM O=C([O-])C1(C(=O)N[C@H]2CCc3nnnn3CC2)CCOCC1 ZINC001594856415 954239999 /nfs/dbraw/zinc/23/99/99/954239999.db2.gz MNFLUOGBFKGLJA-VIFPVBQESA-N -1 0 309.326 -0.624 20 0 DBADRM C[C@H]1CN(C(=O)CCN2CCCS2(=O)=O)CC[C@@H]1C(=O)[O-] ZINC001589374925 954243728 /nfs/dbraw/zinc/24/37/28/954243728.db2.gz JZXNKAYMJXARKV-QWRGUYRKSA-N -1 0 318.395 -0.019 20 0 DBADRM CN(CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC001593719514 954244070 /nfs/dbraw/zinc/24/40/70/954244070.db2.gz UGVKQCAYISETIW-OUAUKWLOSA-N -1 0 318.395 -0.525 20 0 DBADRM CN(CC(=O)[O-])Cc1cn(C[C@@H]2CCS(=O)(=O)C2)nn1 ZINC001593722369 954258194 /nfs/dbraw/zinc/25/81/94/954258194.db2.gz CQHSIYOOLKXLOR-VIFPVBQESA-N -1 0 302.356 -0.771 20 0 DBADRM C[C@H]1CN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CCO1 ZINC001589377335 954273078 /nfs/dbraw/zinc/27/30/78/954273078.db2.gz KNUBSUYIHOEVNH-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])C1(C(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)CCOCC1 ZINC001594861515 954278485 /nfs/dbraw/zinc/27/84/85/954278485.db2.gz VGNTZBFRTQJKMD-TXEJJXNPSA-N -1 0 312.366 -0.153 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)C1(CC(=O)[O-])CCC1 ZINC001593727261 954286562 /nfs/dbraw/zinc/28/65/62/954286562.db2.gz CRHGBIUQVGUOMY-LBPRGKRZSA-N -1 0 314.382 -0.217 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)[C@H](CO)Cc1ccccc1 ZINC001593728463 954300950 /nfs/dbraw/zinc/30/09/50/954300950.db2.gz LYECHWVBUSNFBJ-ZDUSSCGKSA-N -1 0 322.361 -0.019 20 0 DBADRM CN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593728931 954305264 /nfs/dbraw/zinc/30/52/64/954305264.db2.gz FMSLVFRXQXTULX-VIFPVBQESA-N -1 0 310.310 -0.599 20 0 DBADRM CN(C[C@H]1CCCOC1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001593729800 954312599 /nfs/dbraw/zinc/31/25/99/954312599.db2.gz PZRQQWYXWGIVKF-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM CN(CC1CCOCC1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001593730061 954314091 /nfs/dbraw/zinc/31/40/91/954314091.db2.gz STVCICKPJWYFNI-LLVKDONJSA-N -1 0 314.338 -0.817 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCCc1cccc(C(N)=O)c1 ZINC001593731255 954317755 /nfs/dbraw/zinc/31/77/55/954317755.db2.gz GXFHNBJXGFRTSA-UHFFFAOYSA-N -1 0 321.333 -0.623 20 0 DBADRM C[C@H]1CN(C(=O)c2nc(N)nc(N(C)C)n2)CC[C@@H]1C(=O)[O-] ZINC001589391755 954328260 /nfs/dbraw/zinc/32/82/60/954328260.db2.gz FBRMPJRUAQQKQP-YUMQZZPRSA-N -1 0 308.342 -0.297 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001593736099 954336925 /nfs/dbraw/zinc/33/69/25/954336925.db2.gz DACAKQDNZHTDID-UHFFFAOYSA-N -1 0 322.325 -0.913 20 0 DBADRM C[C@@H]1CN([C@@H]2CCN(CC(=O)[O-])C2=O)CCN1c1cnccn1 ZINC001589395805 954365707 /nfs/dbraw/zinc/36/57/07/954365707.db2.gz LHPZMNKCWPNNTE-VXGBXAGGSA-N -1 0 319.365 -0.327 20 0 DBADRM CN(CCCNC(=O)[C@]1(C(=O)[O-])CCCO1)S(C)(=O)=O ZINC001593750441 954399855 /nfs/dbraw/zinc/39/98/55/954399855.db2.gz SGIUHSRHMVXVRI-NSHDSACASA-N -1 0 308.356 -0.982 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@H](CO)[C@H]2C)c1C(=O)[O-] ZINC000385783931 972014444 /nfs/dbraw/zinc/01/44/44/972014444.db2.gz MHVBKWNXQZGENZ-HTQZYQBOSA-N -1 0 303.340 -0.192 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@@H](C)C1O ZINC001589402733 954452107 /nfs/dbraw/zinc/45/21/07/954452107.db2.gz ZEAFACQBKNXSGZ-NXEZZACHSA-N -1 0 320.411 -0.024 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)C1 ZINC001594884907 954453995 /nfs/dbraw/zinc/45/39/95/954453995.db2.gz AQHPROZTLDHMBL-MWLCHTKSSA-N -1 0 323.309 -0.837 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@](CO)(C(F)(F)F)C2)C1 ZINC001594886317 954465876 /nfs/dbraw/zinc/46/58/76/954465876.db2.gz SREUOPWBPRSVNO-XVKPBYJWSA-N -1 0 310.228 -0.011 20 0 DBADRM C[C@@H]1CN=C(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)S1 ZINC001589406837 954467814 /nfs/dbraw/zinc/46/78/14/954467814.db2.gz LOHWIMQCWXSMNS-SSDOTTSWSA-N -1 0 320.392 -0.127 20 0 DBADRM C[C@@H]1COCC[C@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589408722 954494463 /nfs/dbraw/zinc/49/44/63/954494463.db2.gz MTCUMWJFYIUXDZ-RKDXNWHRSA-N -1 0 310.310 -0.553 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@H]2Cc3cnccc3NC2=O)C1 ZINC001594890032 954510455 /nfs/dbraw/zinc/51/04/55/954510455.db2.gz GLMBNKLIAAPVJB-WPRPVWTQSA-N -1 0 304.262 -0.710 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC001594890063 954511404 /nfs/dbraw/zinc/51/14/04/954511404.db2.gz HDQRPZSAWYXPRW-VIFPVBQESA-N -1 0 304.324 -0.843 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@H]2Cc3ccccc3NC2=O)C1 ZINC001594890550 954518911 /nfs/dbraw/zinc/51/89/11/954518911.db2.gz JIHRGSJJKARSFS-ONGXEEELSA-N -1 0 303.274 -0.105 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NC2CCN(C(=O)C3CC3)CC2)C1 ZINC001594890954 954523361 /nfs/dbraw/zinc/52/33/61/954523361.db2.gz MBYPGMZZERMHPZ-NSHDSACASA-N -1 0 309.322 -0.267 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)NCc2ccccc2C(=O)[O-])C1=O ZINC001593767015 954527395 /nfs/dbraw/zinc/52/73/95/954527395.db2.gz HLQYOHYZVMDVIS-UHFFFAOYSA-N -1 0 319.273 -0.578 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NC[C@H](O)COc2ccccc2)C1 ZINC001594892016 954540978 /nfs/dbraw/zinc/54/09/78/954540978.db2.gz PWNXAEKJJJLPQZ-JOYOIKCWSA-N -1 0 308.290 -0.228 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCCN2C(=O)Cc3ccccc32)C1 ZINC001594892407 954545490 /nfs/dbraw/zinc/54/54/90/954545490.db2.gz UHRDRJMLRGOHJL-LBPRGKRZSA-N -1 0 317.301 -0.079 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCCNC(=O)c2ccccc2)C1 ZINC001594892741 954548213 /nfs/dbraw/zinc/54/82/13/954548213.db2.gz UWLBWGGZIBGJGP-LLVKDONJSA-N -1 0 305.290 -0.238 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C1 ZINC001594892766 954548503 /nfs/dbraw/zinc/54/85/03/954548503.db2.gz VEMRKKXDLPKVPG-UHNVWZDZSA-N -1 0 320.170 -0.109 20 0 DBADRM CN1C[C@H](C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)CC1=O ZINC001593772460 954552021 /nfs/dbraw/zinc/55/20/21/954552021.db2.gz LFTUHLDLEXDYGY-VQEBWTGLSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCCc2nnc3n2CCCCC3)C1 ZINC001594893267 954552521 /nfs/dbraw/zinc/55/25/21/954552521.db2.gz ZAPABQURQQYDIS-SNVBAGLBSA-N -1 0 321.337 -0.107 20 0 DBADRM CN1CC(=O)Nc2cc(C(=O)N[C@]3(C(=O)[O-])CCOC3)cnc21 ZINC001593772446 954552856 /nfs/dbraw/zinc/55/28/56/954552856.db2.gz LACAHWKMGCNREK-CQSZACIVSA-N -1 0 320.305 -0.557 20 0 DBADRM CN1C[C@H](CCn2nnnc2N2CC[C@@H](C(=O)[O-])C2)CC1=O ZINC001593772653 954554881 /nfs/dbraw/zinc/55/48/81/954554881.db2.gz NYLACMHSZRVVMX-NXEZZACHSA-N -1 0 308.342 -0.548 20 0 DBADRM CN1C[C@@H](C(=O)NCC(=O)[O-])N(C(=O)OC(C)(C)C)CC1=O ZINC001593772871 954557101 /nfs/dbraw/zinc/55/71/01/954557101.db2.gz SPDIRINTSGXHMW-QMMMGPOBSA-N -1 0 315.326 -0.735 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)[C@@H](O)C3CC3)CC2)C1 ZINC001594894905 954557617 /nfs/dbraw/zinc/55/76/17/954557617.db2.gz BYLHDRIOZXOOOR-GWCFXTLKSA-N -1 0 310.350 -0.319 20 0 DBADRM CN1C[C@H](C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)NC1=O ZINC001593773057 954557839 /nfs/dbraw/zinc/55/78/39/954557839.db2.gz XEGRGULWGJWUAV-OVAVYLEHSA-N -1 0 311.338 -0.461 20 0 DBADRM C[C@@H]1c2nncn2CCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001589417365 954566685 /nfs/dbraw/zinc/56/66/85/954566685.db2.gz JLTZCFQTTIIYLQ-BDAKNGLRSA-N -1 0 307.310 -0.886 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589418332 954578071 /nfs/dbraw/zinc/57/80/71/954578071.db2.gz YPYAQAVMDBSTBP-JXVAYASWSA-N -1 0 324.337 -0.166 20 0 DBADRM C[C@@H]1c2cccn2CCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001589418721 954580162 /nfs/dbraw/zinc/58/01/62/954580162.db2.gz XRWMFYAMRWPVQL-PWSUYJOCSA-N -1 0 321.333 -0.297 20 0 DBADRM C[C@H]1c2nncn2CCN1C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589418702 954580875 /nfs/dbraw/zinc/58/08/75/954580875.db2.gz WZHGSFBVPSXCCG-UWVGGRQHSA-N -1 0 321.337 -0.496 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CCC[C@H](C(=O)NC3CC3)C2)C1 ZINC001594897581 954581226 /nfs/dbraw/zinc/58/12/26/954581226.db2.gz ADHBJIFVWYKJEM-QWRGUYRKSA-N -1 0 309.366 -0.132 20 0 DBADRM CN1C[C@H](OC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCC1=O ZINC001593774341 954581763 /nfs/dbraw/zinc/58/17/63/954581763.db2.gz OWMWXJOPFGEJRO-NXEZZACHSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1C[C@@H](NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCC1=O ZINC001593774371 954582456 /nfs/dbraw/zinc/58/24/56/954582456.db2.gz PYEPPLFNOGSXTD-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1CC[C@](C)(C(=O)NCCOCCOCC(=O)[O-])C1=O ZINC001593774525 954585049 /nfs/dbraw/zinc/58/50/49/954585049.db2.gz OKFYDAFQAOCMMP-CYBMUJFWSA-N -1 0 302.327 -0.911 20 0 DBADRM CN1CC[C@@](C)(C(=O)NCCOCCOCC(=O)[O-])C1=O ZINC001593774526 954585475 /nfs/dbraw/zinc/58/54/75/954585475.db2.gz OKFYDAFQAOCMMP-ZDUSSCGKSA-N -1 0 302.327 -0.911 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001594897978 954587262 /nfs/dbraw/zinc/58/72/62/954587262.db2.gz DCQGJLNGSDIMLM-MWLCHTKSSA-N -1 0 316.379 -0.472 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001594898266 954590132 /nfs/dbraw/zinc/59/01/32/954590132.db2.gz ZVZREXCEZPYJFO-QMMMGPOBSA-N -1 0 307.310 -0.658 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CCN(CC(F)(F)F)C(=O)C2)C1 ZINC001594898310 954591178 /nfs/dbraw/zinc/59/11/78/954591178.db2.gz IIGWKKAEJRQCNX-QMMMGPOBSA-N -1 0 323.271 -0.417 20 0 DBADRM C/C=C\C[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)C(=O)OCC ZINC001589420619 954599408 /nfs/dbraw/zinc/59/94/08/954599408.db2.gz NJXVGTMSMHUGGF-AZVKUDOFSA-N -1 0 310.310 -0.010 20 0 DBADRM CN1CC[C@H](CNC(=O)c2cccn(CC(=O)[O-])c2=O)CC1=O ZINC001593775267 954600085 /nfs/dbraw/zinc/60/00/85/954600085.db2.gz GCXZIEHFIITVTB-JTQLQIEISA-N -1 0 321.333 -0.469 20 0 DBADRM CN1CCC[C@H](OC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1=O ZINC001593780737 954654879 /nfs/dbraw/zinc/65/48/79/954654879.db2.gz JWMJJTMPIDETQD-ZJUUUORDSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1CCN(C(=O)CNC(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC001593780929 954660561 /nfs/dbraw/zinc/66/05/61/954660561.db2.gz DBXNVIWWFAZDPV-UHFFFAOYSA-N -1 0 305.334 -0.111 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@H](CNS(=O)(=O)N1CCC1)O2 ZINC001594907438 954687979 /nfs/dbraw/zinc/68/79/79/954687979.db2.gz MNLLGOMLOPHOKJ-SQLBVSGCSA-N -1 0 304.368 -0.061 20 0 DBADRM CN1CCN(c2cc(N3CC[C@@H](C(=O)[O-])C3)ncn2)CC1=O ZINC001593786753 954707741 /nfs/dbraw/zinc/70/77/41/954707741.db2.gz GGVAXQPLECNUIK-SNVBAGLBSA-N -1 0 305.338 -0.334 20 0 DBADRM CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593786947 954711148 /nfs/dbraw/zinc/71/11/48/954711148.db2.gz SETXZYSKBXDBTN-YTWAJWBKSA-N -1 0 323.349 -0.813 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])C1=O ZINC001593787173 954716834 /nfs/dbraw/zinc/71/68/34/954716834.db2.gz RZXKYWOHOAPPFP-MNOVXSKESA-N -1 0 307.306 -0.949 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])C1=O ZINC001593787175 954718045 /nfs/dbraw/zinc/71/80/45/954718045.db2.gz RZXKYWOHOAPPFP-WDEREUQCSA-N -1 0 307.306 -0.949 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001593787397 954723274 /nfs/dbraw/zinc/72/32/74/954723274.db2.gz GNQDKVIALCWOBR-OUAUKWLOSA-N -1 0 306.384 -0.510 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001589442715 954732959 /nfs/dbraw/zinc/73/29/59/954732959.db2.gz MHYWBUFQIOEGOC-BWKAKNAASA-N -1 0 301.390 -0.399 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC001593788119 954735989 /nfs/dbraw/zinc/73/59/89/954735989.db2.gz IXZORTZJAIBFET-SNVBAGLBSA-N -1 0 323.353 -0.697 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3=O)C2)C1 ZINC001594914950 954736985 /nfs/dbraw/zinc/73/69/85/954736985.db2.gz BQHLYVIYKQAUMN-GHMZBOCLSA-N -1 0 323.349 -0.857 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC001594914966 954737761 /nfs/dbraw/zinc/73/77/61/954737761.db2.gz BXEGFGUVQLDYPI-IJLUTSLNSA-N -1 0 310.350 -0.196 20 0 DBADRM CNC(=O)C1(C(=O)N2CCO[C@](COC)(C(=O)[O-])C2)CCC1 ZINC001593788611 954746343 /nfs/dbraw/zinc/74/63/43/954746343.db2.gz JMFSGYMIIFKQIF-CQSZACIVSA-N -1 0 314.338 -0.769 20 0 DBADRM CN=[S@@](C)(=O)CCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593788797 954746978 /nfs/dbraw/zinc/74/69/78/954746978.db2.gz YRPCUSIJXFQTTJ-NRFANRHFSA-N -1 0 315.351 -0.610 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC001593789507 954752240 /nfs/dbraw/zinc/75/22/40/954752240.db2.gz WHEWMFPLZPUIHX-AWEZNQCLSA-N -1 0 313.354 -0.658 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](n3cccn3)C2)C1 ZINC001594916303 954755187 /nfs/dbraw/zinc/75/51/87/954755187.db2.gz MEXXBJVKFDOMPQ-MNOVXSKESA-N -1 0 306.322 -0.410 20 0 DBADRM CNC(=O)CCCN(C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593791155 954757914 /nfs/dbraw/zinc/75/79/14/954757914.db2.gz QUPKBCTXYLTOLG-SNVBAGLBSA-N -1 0 313.354 -0.706 20 0 DBADRM CNC(=O)CCCCC(=O)N[C@@H](CCC(=O)OC)C(=O)[O-] ZINC001593791279 954759636 /nfs/dbraw/zinc/75/96/36/954759636.db2.gz VSXXUVKKFGFMEC-VIFPVBQESA-N -1 0 302.327 -0.185 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)C1 ZINC001594916640 954760192 /nfs/dbraw/zinc/76/01/92/954760192.db2.gz ORPPRSSXHLUMRW-JGVFFNPUSA-N -1 0 306.265 -0.852 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)c2coc(/C=C/C(=O)[O-])c2)CCO1 ZINC001593791563 954760387 /nfs/dbraw/zinc/76/03/87/954760387.db2.gz CRMOPGCDAQIOFM-VUDBWIFFSA-N -1 0 308.290 -0.036 20 0 DBADRM CC[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001589446001 954761191 /nfs/dbraw/zinc/76/11/91/954761191.db2.gz CQRXCGVMVNCRRC-VIFPVBQESA-N -1 0 302.356 -0.421 20 0 DBADRM CNC(=O)C1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001593792376 954768207 /nfs/dbraw/zinc/76/82/07/954768207.db2.gz XKYCQJLFAKRTLZ-UHFFFAOYSA-N -1 0 309.326 -0.042 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)Nc2ccn(CC(=O)[O-])n2)cn1 ZINC001593792789 954770407 /nfs/dbraw/zinc/77/04/07/954770407.db2.gz CNPJBAOJQMJZDC-UHFFFAOYSA-N -1 0 321.297 -0.446 20 0 DBADRM CC[C@H](C(=O)OC)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC001589446831 954771744 /nfs/dbraw/zinc/77/17/44/954771744.db2.gz DJGQNBCFPZCULN-WPRPVWTQSA-N -1 0 302.327 -0.377 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC001593793129 954776105 /nfs/dbraw/zinc/77/61/05/954776105.db2.gz HLFBKRCGANJWNG-VIFPVBQESA-N -1 0 300.359 -0.783 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)n1 ZINC001593793292 954779241 /nfs/dbraw/zinc/77/92/41/954779241.db2.gz KVDLHAYGJUSYHE-SNVBAGLBSA-N -1 0 309.326 -0.146 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)Cc2ccccc2C(=O)[O-])n1 ZINC001593793440 954781600 /nfs/dbraw/zinc/78/16/00/954781600.db2.gz PMCYENQKLBUOKZ-UHFFFAOYSA-N -1 0 317.305 -0.097 20 0 DBADRM CNC(=O)CN1CCCN(C(=O)C2(CC(=O)[O-])CCC2)CC1 ZINC001593793441 954781913 /nfs/dbraw/zinc/78/19/13/954781913.db2.gz PAZYIXVYPWNPOX-UHFFFAOYSA-N -1 0 311.382 -0.088 20 0 DBADRM CC[C@@H]1[C@H](CO)CCN1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000386267476 972041026 /nfs/dbraw/zinc/04/10/26/972041026.db2.gz LONWKPSFYJUFLK-GXSJLCMTSA-N -1 0 311.342 -0.221 20 0 DBADRM CNC(=O)NC(=O)COC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001593794796 954800149 /nfs/dbraw/zinc/80/01/49/954800149.db2.gz FLTWZNXOLYUADR-UHFFFAOYSA-N -1 0 310.262 -0.238 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@H](CO)C1CCCC1 ZINC000386292788 972043246 /nfs/dbraw/zinc/04/32/46/972043246.db2.gz UBYCTBZQDKTZMW-SECBINFHSA-N -1 0 303.340 -0.063 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CCO1 ZINC001593795558 954807205 /nfs/dbraw/zinc/80/72/05/954807205.db2.gz XPMXUNIUVHUPJC-UWVGGRQHSA-N -1 0 315.370 -0.110 20 0 DBADRM CC[C@](C)(CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)OC ZINC001589452062 954808708 /nfs/dbraw/zinc/80/87/08/954808708.db2.gz QWCFORQTUKWNOQ-CYBMUJFWSA-N -1 0 312.326 -0.163 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)C1 ZINC001594925315 954811084 /nfs/dbraw/zinc/81/10/84/954811084.db2.gz OVIOWQOXKFAYRW-MRVPVSSYSA-N -1 0 322.321 -0.100 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])cc1 ZINC001593797070 954816486 /nfs/dbraw/zinc/81/64/86/954816486.db2.gz ZKCMTDJAWMLDRM-QMMMGPOBSA-N -1 0 307.306 -0.036 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)CC(=O)[O-])C1 ZINC001593797512 954818625 /nfs/dbraw/zinc/81/86/25/954818625.db2.gz LWFLPALGYLOXIE-DTWKUNHWSA-N -1 0 307.372 -0.427 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC001593797841 954824361 /nfs/dbraw/zinc/82/43/61/954824361.db2.gz CRNYRNBWVHUFCL-ZWNOBZJWSA-N -1 0 316.379 -0.052 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001593798057 954826329 /nfs/dbraw/zinc/82/63/29/954826329.db2.gz IGWDHHCFPAWKDZ-VIFPVBQESA-N -1 0 313.335 -0.457 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001593798343 954831327 /nfs/dbraw/zinc/83/13/27/954831327.db2.gz UQOVXXMBNWNBBL-UTLUCORTSA-N -1 0 304.368 -0.363 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(C)(C)C(=O)[O-])C1 ZINC001593798554 954835934 /nfs/dbraw/zinc/83/59/34/954835934.db2.gz YZEWYBSJPHUZHT-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001593798579 954835993 /nfs/dbraw/zinc/83/59/93/954835993.db2.gz ZSASUGYPSYNLDJ-IVZWLZJFSA-N -1 0 304.368 -0.363 20 0 DBADRM CC[C@H](C)[C@H](OC)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001589457083 954836384 /nfs/dbraw/zinc/83/63/84/954836384.db2.gz FEKVOMZRXOSLAR-GUBZILKMSA-N -1 0 307.368 -0.242 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(OC)[C@H](C)C(=O)[O-])cn1 ZINC001593799167 954845479 /nfs/dbraw/zinc/84/54/79/954845479.db2.gz RNUYMFZQJVRWGA-SSDOTTSWSA-N -1 0 317.323 -0.534 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CC[C@@](F)(CO)C2)CC1 ZINC001594934970 954849120 /nfs/dbraw/zinc/84/91/20/954849120.db2.gz FPHGIYATQUBPAK-NSHDSACASA-N -1 0 310.347 -0.566 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H](CO)c2ncc[nH]2)CC1 ZINC001594935351 954854067 /nfs/dbraw/zinc/85/40/67/954854067.db2.gz OZXDGCYCBDJNHW-VIFPVBQESA-N -1 0 318.355 -0.926 20 0 DBADRM CNS(=O)(=O)c1ccc(COC(=O)COCC(=O)[O-])cc1 ZINC001593802213 954857127 /nfs/dbraw/zinc/85/71/27/954857127.db2.gz SATMNSXSLKHOOR-UHFFFAOYSA-N -1 0 317.319 -0.261 20 0 DBADRM CC[C@@H](C)NC(=O)CCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589459165 954858483 /nfs/dbraw/zinc/85/84/83/954858483.db2.gz WTOSGOOTWGUWGV-SNVBAGLBSA-N -1 0 323.349 -0.033 20 0 DBADRM CNc1cnc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cn1 ZINC001593803786 954872732 /nfs/dbraw/zinc/87/27/32/954872732.db2.gz WWQUCFWGDQHPNF-QMMMGPOBSA-N -1 0 309.326 -0.430 20 0 DBADRM CNc1ncc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])s1 ZINC001593803823 954873037 /nfs/dbraw/zinc/87/30/37/954873037.db2.gz YRZJWMIUGQTFPK-ZCFIWIBFSA-N -1 0 319.364 -0.491 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2CCCN2CCOCC2)C1 ZINC001594940635 954884668 /nfs/dbraw/zinc/88/46/68/954884668.db2.gz LHDVVPMOXKIBEU-LLVKDONJSA-N -1 0 310.358 -0.694 20 0 DBADRM O=C([O-])[C@H]1CCN(c2nnnn2[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC001594940686 954885412 /nfs/dbraw/zinc/88/54/12/954885412.db2.gz MJOGQLNMIGSPCU-WCBMZHEXSA-N -1 0 306.326 -0.480 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2C[C@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC001594940753 954885445 /nfs/dbraw/zinc/88/54/45/954885445.db2.gz NXBQHRXTLORLTA-DBIOUOCHSA-N -1 0 309.326 -0.612 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC001594942356 954903966 /nfs/dbraw/zinc/90/39/66/954903966.db2.gz ICCDPWZSKWVNBH-VHSXEESVSA-N -1 0 305.352 -0.487 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001593805964 954905686 /nfs/dbraw/zinc/90/56/86/954905686.db2.gz DRUNUBAIMKWRFA-MRVPVSSYSA-N -1 0 313.266 -0.858 20 0 DBADRM COC(=O)[C@@H](CCC1OCCO1)NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001593806482 954909622 /nfs/dbraw/zinc/90/96/22/954909622.db2.gz HXXFHENKFIZILH-KOLCDFICSA-N -1 0 315.322 -0.092 20 0 DBADRM O=C([O-])C1CN(C(=O)CCn2nnc3ccccc3c2=O)C1 ZINC001594945635 954913126 /nfs/dbraw/zinc/91/31/26/954913126.db2.gz WXMHZKMZKYDHBD-UHFFFAOYSA-N -1 0 302.290 -0.275 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001593806894 954913633 /nfs/dbraw/zinc/91/36/33/954913633.db2.gz MRBQUWWAKYUPQW-RTHLEPHNSA-N -1 0 315.322 -0.092 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001593807095 954913704 /nfs/dbraw/zinc/91/37/04/954913704.db2.gz MRBQUWWAKYUPQW-XLKFXECMSA-N -1 0 315.322 -0.092 20 0 DBADRM CC[C@H](C[C@@H](C)O)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589467462 954914157 /nfs/dbraw/zinc/91/41/57/954914157.db2.gz TXZNSPFRYHTEMY-GMTAPVOTSA-N -1 0 300.355 -0.025 20 0 DBADRM COC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001593810312 954929178 /nfs/dbraw/zinc/92/91/78/954929178.db2.gz HFSPHXBJGORWHN-NSHDSACASA-N -1 0 318.289 -0.052 20 0 DBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001593810513 954931565 /nfs/dbraw/zinc/93/15/65/954931565.db2.gz IXWGCBRWHNXDEH-IINYFYTJSA-N -1 0 322.321 -0.253 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)NC1CCN(S(N)(=O)=O)CC1 ZINC001589473382 954933676 /nfs/dbraw/zinc/93/36/76/954933676.db2.gz AOCXXPLSMRLNRH-UHFFFAOYSA-N -1 0 321.399 -0.339 20 0 DBADRM COC(=O)[C@@H](Cn1cncn1)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001593810790 954936321 /nfs/dbraw/zinc/93/63/21/954936321.db2.gz KNZRWPOCSJXRHH-BDAKNGLRSA-N -1 0 312.326 -0.317 20 0 DBADRM COC(=O)[C@@H](Cc1cncs1)NC(=O)[C@H](OC)C(=O)[O-] ZINC001593811072 954938838 /nfs/dbraw/zinc/93/88/38/954938838.db2.gz MPNWENGNNIAURD-SFYZADRCSA-N -1 0 302.308 -0.557 20 0 DBADRM COC(=O)[C@@H](Cc1cncs1)NC(=O)[C@@H](OC)C(=O)[O-] ZINC001593811070 954938881 /nfs/dbraw/zinc/93/88/81/954938881.db2.gz MPNWENGNNIAURD-HTQZYQBOSA-N -1 0 302.308 -0.557 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)CCO1 ZINC001594950890 954944795 /nfs/dbraw/zinc/94/47/95/954944795.db2.gz GJYILPRMSUZQRA-KOLCDFICSA-N -1 0 310.310 -0.760 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000386463432 972055785 /nfs/dbraw/zinc/05/57/85/972055785.db2.gz XBZPOHNMOWAURA-UHFFFAOYSA-N -1 0 303.274 -0.129 20 0 DBADRM COC(=O)[C@@]1(C)CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001593812476 954959984 /nfs/dbraw/zinc/95/99/84/954959984.db2.gz DSFCYMMPFPXERZ-CABZTGNLSA-N -1 0 320.367 -0.335 20 0 DBADRM COC(=O)[C@]1(CNC(=O)C2(C(=O)[O-])CCOCC2)CCOC1 ZINC001593812976 954965649 /nfs/dbraw/zinc/96/56/49/954965649.db2.gz BAMYKSOWAUDRJY-ZDUSSCGKSA-N -1 0 315.322 -0.436 20 0 DBADRM COC(=O)[C@]1(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CCOC1 ZINC001593813812 954978062 /nfs/dbraw/zinc/97/80/62/954978062.db2.gz IBDDQEJSROYTSJ-BHDSKKPTSA-N -1 0 315.322 -0.295 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2noc(C3CC3)n2)CCO1 ZINC001594954917 954983454 /nfs/dbraw/zinc/98/34/54/954983454.db2.gz GQMBRJRKJKLWNF-QMMMGPOBSA-N -1 0 317.323 -0.438 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cnc3n2CCCC3)CCO1 ZINC001594954932 954984211 /nfs/dbraw/zinc/98/42/11/954984211.db2.gz IGCIXPABSJBIGI-SECBINFHSA-N -1 0 315.351 -0.307 20 0 DBADRM COC(=O)C1(O)CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001593814538 954986971 /nfs/dbraw/zinc/98/69/71/954986971.db2.gz OSVJWXFXZQBVPG-ZDUSSCGKSA-N -1 0 301.295 -0.853 20 0 DBADRM COC(=O)C1(O)CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001593814563 954988580 /nfs/dbraw/zinc/98/85/80/954988580.db2.gz OZKQCKCTXTWZNE-UHFFFAOYSA-N -1 0 309.278 -0.685 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000386502826 972059577 /nfs/dbraw/zinc/05/95/77/972059577.db2.gz APIIRAHKGVGUSW-SECBINFHSA-N -1 0 305.352 -0.608 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(F)ccc1O ZINC001594959646 955000461 /nfs/dbraw/zinc/00/04/61/955000461.db2.gz ACCNVWKZPXARNC-VIFPVBQESA-N -1 0 317.294 -0.145 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)OCC(F)(F)F ZINC001594959942 955004159 /nfs/dbraw/zinc/00/41/59/955004159.db2.gz KHLBLEHMQJUQGB-YFKPBYRVSA-N -1 0 305.230 -0.131 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1ccon1 ZINC001594959986 955005230 /nfs/dbraw/zinc/00/52/30/955005230.db2.gz LPZVBCXRPRZTLV-VIFPVBQESA-N -1 0 302.308 -0.683 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001593816923 955009739 /nfs/dbraw/zinc/00/97/39/955009739.db2.gz VQJKSMZADXQYHG-SCZZXKLOSA-N -1 0 310.310 -0.224 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)C(F)(F)C(F)F ZINC001594960326 955009645 /nfs/dbraw/zinc/00/96/45/955009645.db2.gz VTEHGRSSWBUYDR-BYPYZUCNSA-N -1 0 307.221 -0.403 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CCn1ccccc1=O ZINC001594960705 955013771 /nfs/dbraw/zinc/01/37/71/955013771.db2.gz CSSJWQVGXPPSEN-JTQLQIEISA-N -1 0 300.336 -0.968 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@H]1CN(C2CC2)C(=O)O1 ZINC001594960897 955014957 /nfs/dbraw/zinc/01/49/57/955014957.db2.gz GMWQVMLCIIUBPA-VHSXEESVSA-N -1 0 318.351 -0.847 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CCC(=O)N1CCCCC1 ZINC001594961926 955020357 /nfs/dbraw/zinc/02/03/57/955020357.db2.gz OPBWXMQOCRPCAT-NSHDSACASA-N -1 0 318.395 -0.427 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(O)cc1O ZINC001594962201 955021738 /nfs/dbraw/zinc/02/17/38/955021738.db2.gz PYXCXOJYWLRCTE-SECBINFHSA-N -1 0 315.303 -0.578 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccnn1C(F)F ZINC001594962253 955022456 /nfs/dbraw/zinc/02/24/56/955022456.db2.gz QJEIPKYLDHRKBZ-ZETCQYMHSA-N -1 0 323.277 -0.398 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001594962459 955024854 /nfs/dbraw/zinc/02/48/54/955024854.db2.gz SWTSBTPMGPYCCX-TUAOUCFPSA-N -1 0 318.395 -0.967 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N(CC(C)(C)O)C1CC1)C(=O)[O-] ZINC001589514626 955059949 /nfs/dbraw/zinc/05/99/49/955059949.db2.gz MCGNGDLPKKUUPI-VIFPVBQESA-N -1 0 300.355 -0.025 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1C[C@H](O)CN1c1ccncn1)C(=O)[O-] ZINC001589516872 955066644 /nfs/dbraw/zinc/06/66/44/955066644.db2.gz AMOZORADLHYVMP-OUAUKWLOSA-N -1 0 308.338 -0.357 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1)C(=O)[O-] ZINC001589516870 955067229 /nfs/dbraw/zinc/06/72/29/955067229.db2.gz AMOZORADLHYVMP-GMTAPVOTSA-N -1 0 308.338 -0.357 20 0 DBADRM Cn1nnc(Br)c1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000386577994 972065955 /nfs/dbraw/zinc/06/59/55/972065955.db2.gz SRYCBQDAUYHRTO-SECBINFHSA-N -1 0 319.115 -0.761 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CC[C@@H](C2OCCO2)C1)C(=O)[O-] ZINC001589517049 955069097 /nfs/dbraw/zinc/06/90/97/955069097.db2.gz AKTSABISKJEENW-NXEZZACHSA-N -1 0 314.338 -0.565 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)C(=O)[O-] ZINC001589517157 955069656 /nfs/dbraw/zinc/06/96/56/955069656.db2.gz CGNQTHCENSXHJA-MNOVXSKESA-N -1 0 311.382 -0.020 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCSC[C@@H]1CCO)C(=O)[O-] ZINC001589518021 955076421 /nfs/dbraw/zinc/07/64/21/955076421.db2.gz JKAZVEYNQNSIHV-UWVGGRQHSA-N -1 0 318.395 -0.460 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1)C(=O)[O-] ZINC001589518041 955076825 /nfs/dbraw/zinc/07/68/25/955076825.db2.gz JKYZNVHUWNCWPT-DTWKUNHWSA-N -1 0 321.324 -0.331 20 0 DBADRM O=C([O-])/C=C/c1cc(C(=O)NC[C@@]2(CO)COCCN2)co1 ZINC001594968722 955083053 /nfs/dbraw/zinc/08/30/53/955083053.db2.gz BNXZWGDJKVRWKZ-VSZDKKFSSA-N -1 0 310.306 -0.542 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1C[C@H](O)CC(F)(F)C1)C(=O)[O-] ZINC001589519208 955084585 /nfs/dbraw/zinc/08/45/85/955084585.db2.gz PYJASSZDVNPLSX-JGVFFNPUSA-N -1 0 308.281 -0.558 20 0 DBADRM CC[C@H](CNC(=O)C(=O)NC[C@@]1(OC)CCSC1)C(=O)[O-] ZINC001589519946 955089809 /nfs/dbraw/zinc/08/98/09/955089809.db2.gz XLWDSHVFSDGTGK-RNCFNFMXSA-N -1 0 318.395 -0.148 20 0 DBADRM CC[C@H](CNC(=O)C(=O)NC[C@]1(OC)CCSC1)C(=O)[O-] ZINC001589519945 955089909 /nfs/dbraw/zinc/08/99/09/955089909.db2.gz XLWDSHVFSDGTGK-NOZJJQNGSA-N -1 0 318.395 -0.148 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)[C@H](C)C(=O)[O-])C1 ZINC001593826047 955104918 /nfs/dbraw/zinc/10/49/18/955104918.db2.gz OHGQORATRKYOQP-DJLDLDEBSA-N -1 0 301.295 -0.340 20 0 DBADRM COC(=O)C1CC2(C1)CN(S(=O)(=O)N(C)C)C[C@H]2C(=O)[O-] ZINC001593827070 955111965 /nfs/dbraw/zinc/11/19/65/955111965.db2.gz ZYFJZCRXGQSKRP-XEVUQIKYSA-N -1 0 320.367 -0.621 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CCO1 ZINC001593827529 955114842 /nfs/dbraw/zinc/11/48/42/955114842.db2.gz DWVCJTZJSNFGLI-MXWKQRLJSA-N -1 0 315.322 -0.343 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H](OC)C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001593827973 955118959 /nfs/dbraw/zinc/11/89/59/955118959.db2.gz BMVCIVFDTQPYSX-HRDYMLBCSA-N -1 0 317.294 -0.961 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H](OC)C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001593827974 955119308 /nfs/dbraw/zinc/11/93/08/955119308.db2.gz BMVCIVFDTQPYSX-IWSPIJDZSA-N -1 0 317.294 -0.961 20 0 DBADRM CC[C@H](CNC(=O)N1CC[C@H](S(=O)(=O)NC)C1)C(=O)[O-] ZINC001589526439 955120929 /nfs/dbraw/zinc/12/09/29/955120929.db2.gz JJQRDKYSJQOOAG-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM COC(=O)[C@@H]1CN(CC2(O)CCC(C(=O)[O-])CC2)CCO1 ZINC001593828389 955124278 /nfs/dbraw/zinc/12/42/78/955124278.db2.gz OQCUXAFOCFPFKZ-CVZZAPKMSA-N -1 0 301.339 -0.134 20 0 DBADRM COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC001593829444 955136902 /nfs/dbraw/zinc/13/69/02/955136902.db2.gz XSBFTPWUTYXVJI-LLVKDONJSA-N -1 0 320.301 -0.159 20 0 DBADRM CC[C@@H](CNC(=O)N1CCN(C(=O)COC)CC1)C(=O)[O-] ZINC001589529292 955143443 /nfs/dbraw/zinc/14/34/43/955143443.db2.gz TWAXJCNIYLNRRY-JTQLQIEISA-N -1 0 301.343 -0.403 20 0 DBADRM CC[C@@H](CNC(=O)NCC(C)(C)CS(N)(=O)=O)C(=O)[O-] ZINC001589533561 955147590 /nfs/dbraw/zinc/14/75/90/955147590.db2.gz BEAVFWJSNHTKGP-QMMMGPOBSA-N -1 0 309.388 -0.289 20 0 DBADRM N#Cc1cncc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)c1 ZINC000386687179 972073609 /nfs/dbraw/zinc/07/36/09/972073609.db2.gz YPRYQEBDVYKQSB-UHFFFAOYSA-N -1 0 311.319 -0.447 20 0 DBADRM COC(=O)C[C@@](C)(NCC(=O)NCC(=O)[O-])c1cccnc1 ZINC001593832186 955163518 /nfs/dbraw/zinc/16/35/18/955163518.db2.gz XPZOMERQSNANHD-CQSZACIVSA-N -1 0 309.322 -0.350 20 0 DBADRM COC(=O)CC1(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001593832957 955168948 /nfs/dbraw/zinc/16/89/48/955168948.db2.gz MCLPAVAVWNVDQB-UHFFFAOYSA-N -1 0 320.367 -0.287 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001593835657 955178964 /nfs/dbraw/zinc/17/89/64/955178964.db2.gz FRCRPGLLXWUQJR-ZDUSSCGKSA-N -1 0 300.311 -0.621 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C(C)(C)CNC(C)=O ZINC001593835954 955181184 /nfs/dbraw/zinc/18/11/84/955181184.db2.gz NNNYYNDGJPJCGE-UHFFFAOYSA-N -1 0 302.327 -0.375 20 0 DBADRM Cc1c(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)cnn1C ZINC000386758298 972078295 /nfs/dbraw/zinc/07/82/95/972078295.db2.gz HQMYLPLAZOWVEX-UHFFFAOYSA-N -1 0 303.340 -0.671 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000386844381 972084455 /nfs/dbraw/zinc/08/44/55/972084455.db2.gz UQCPQJAUNOIBQK-ZDUSSCGKSA-N -1 0 303.278 -0.676 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)n1 ZINC001594500049 955315872 /nfs/dbraw/zinc/31/58/72/955315872.db2.gz JGXPJRJZYLTZMU-WCBMZHEXSA-N -1 0 324.337 -0.394 20 0 DBADRM Cc1noc(CCNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001594499813 955316520 /nfs/dbraw/zinc/31/65/20/955316520.db2.gz GWGHVZQLVISCCD-VIFPVBQESA-N -1 0 310.310 -0.640 20 0 DBADRM COC(=O)CCCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593836655 955317506 /nfs/dbraw/zinc/31/75/06/955317506.db2.gz FPFKWAVKCDACFP-SNVBAGLBSA-N -1 0 314.338 -0.088 20 0 DBADRM COC(=O)C[C@H]1CSCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001593836625 955318003 /nfs/dbraw/zinc/31/80/03/955318003.db2.gz CPLCPSIDTKPHDF-VHSXEESVSA-N -1 0 316.379 -0.348 20 0 DBADRM COC(=O)CCCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593836654 955318230 /nfs/dbraw/zinc/31/82/30/955318230.db2.gz FPFKWAVKCDACFP-JTQLQIEISA-N -1 0 314.338 -0.088 20 0 DBADRM Cc1noc(CCCN2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001594500572 955319123 /nfs/dbraw/zinc/31/91/23/955319123.db2.gz UHKGOHOWGZSTOJ-VIFPVBQESA-N -1 0 303.340 -0.506 20 0 DBADRM Cc1nonc1CC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594501021 955321482 /nfs/dbraw/zinc/32/14/82/955321482.db2.gz FJXBNVXQIBRMIP-VIFPVBQESA-N -1 0 310.310 -0.498 20 0 DBADRM Cc1nocc1CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594501005 955321615 /nfs/dbraw/zinc/32/16/15/955321615.db2.gz FBPRPMDBXMPBRF-UHFFFAOYSA-N -1 0 316.335 -0.121 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1cc(CN(C)C)on1 ZINC001593838677 955330059 /nfs/dbraw/zinc/33/00/59/955330059.db2.gz LNZBEWHCHGTALS-UHFFFAOYSA-N -1 0 313.310 -0.174 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1c(C)nn(C)c1OC ZINC001593838921 955333179 /nfs/dbraw/zinc/33/31/79/955333179.db2.gz HBAQVISDSKFYNR-UHFFFAOYSA-N -1 0 313.310 -0.173 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 ZINC001589001885 955333835 /nfs/dbraw/zinc/33/38/35/955333835.db2.gz NTNPVOPEGUKTRK-APPZFPTMSA-N -1 0 313.285 -0.709 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)CS(=O)(=O)C(C)(C)C ZINC001593839069 955336061 /nfs/dbraw/zinc/33/60/61/955336061.db2.gz JMLBGFLMXXDDJP-UHFFFAOYSA-N -1 0 323.367 -0.324 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)Cn1nnc2ccccc21 ZINC001593839275 955339806 /nfs/dbraw/zinc/33/98/06/955339806.db2.gz PMDULSDSBOOQEI-UHFFFAOYSA-N -1 0 320.305 -0.092 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)CNC(=O)OC(C)(C)C ZINC001593839583 955345267 /nfs/dbraw/zinc/34/52/67/955345267.db2.gz MGLQNBYLWHPQJS-UHFFFAOYSA-N -1 0 318.326 -0.013 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1 ZINC001589004864 955359424 /nfs/dbraw/zinc/35/94/24/955359424.db2.gz UEQCJEXIGKHTNA-ZCFIWIBFSA-N -1 0 319.339 -0.058 20 0 DBADRM Cc1oc(C(=O)N2CC(C(=O)[O-])C2)cc1S(=O)(=O)N(C)C ZINC001594507046 955367707 /nfs/dbraw/zinc/36/77/07/955367707.db2.gz WILVKAMLJDKERP-UHFFFAOYSA-N -1 0 316.335 -0.005 20 0 DBADRM Cc1occc(=O)c1OCC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594507139 955368684 /nfs/dbraw/zinc/36/86/84/955368684.db2.gz XKACSXPWTDAQLO-BONVTDFDSA-N -1 0 323.301 -0.113 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])Cn1nc2n(c1=O)CCCC2 ZINC001593841714 955372790 /nfs/dbraw/zinc/37/27/90/955372790.db2.gz JRFBETJJQMKOCJ-UHFFFAOYSA-N -1 0 312.326 -0.712 20 0 DBADRM C[C@H](CC(C)(C)O)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589007933 955377489 /nfs/dbraw/zinc/37/74/89/955377489.db2.gz SKQXQRNMTPMMNY-NXEZZACHSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@H](CC(C)(C)O)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589007940 955377960 /nfs/dbraw/zinc/37/79/60/955377960.db2.gz SKQXQRNMTPMMNY-ZJUUUORDSA-N -1 0 300.355 -0.025 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1N ZINC001593843271 955383371 /nfs/dbraw/zinc/38/33/71/955383371.db2.gz PXVUHFZGZUJOJJ-UHFFFAOYSA-N -1 0 316.335 -0.093 20 0 DBADRM COC(=O)CC[C@H](NC(=O)Cn1ccc(C)cc1=O)C(=O)[O-] ZINC001593844119 955389748 /nfs/dbraw/zinc/38/97/48/955389748.db2.gz NOULCGHEPMVYJZ-JTQLQIEISA-N -1 0 310.306 -0.321 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1cc(C(N)=O)cn1C)C(=O)[O-] ZINC001593844425 955395577 /nfs/dbraw/zinc/39/55/77/955395577.db2.gz VFTWVYKPNALHRK-QMMMGPOBSA-N -1 0 311.294 -0.740 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])[C@@H](C)C1 ZINC001593844473 955397584 /nfs/dbraw/zinc/39/75/84/955397584.db2.gz KEWQZOIHQFAESB-IINYFYTJSA-N -1 0 316.354 -0.428 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(-c3nc(CC(=O)[O-])no3)cnc21 ZINC001594515026 955409447 /nfs/dbraw/zinc/40/94/47/955409447.db2.gz BIVUEUQTBMUMMN-UHFFFAOYSA-N -1 0 303.234 -0.289 20 0 DBADRM CN(C(=O)c1ccc(C(=O)[O-])[nH]1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000386965021 972094217 /nfs/dbraw/zinc/09/42/17/972094217.db2.gz PSXAJOVEFOSGSL-QMMMGPOBSA-N -1 0 315.351 -0.181 20 0 DBADRM O=C([O-])c1ccnc(N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1[N+](=O)[O-] ZINC000386971466 972094306 /nfs/dbraw/zinc/09/43/06/972094306.db2.gz LRCVCKIOTNASCA-KNVOCYPGSA-N -1 0 306.234 -0.603 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2ccsc2C(=O)[O-])CC(=O)N1 ZINC000386968369 972094350 /nfs/dbraw/zinc/09/43/50/972094350.db2.gz AZDJAHNJAVQYPM-LURJTMIESA-N -1 0 304.349 -0.045 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CCN1CCCC1=O)C(=O)[O-] ZINC001593846358 955419167 /nfs/dbraw/zinc/41/91/67/955419167.db2.gz OSJGLDWWPIRROH-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1ccc2nnnn2c1)C(=O)[O-] ZINC001593847405 955431687 /nfs/dbraw/zinc/43/16/87/955431687.db2.gz MWVNVUPKLIBICM-QMMMGPOBSA-N -1 0 307.266 -0.740 20 0 DBADRM Cn1c(CC(=O)NC[C@@](C)(O)C(=O)[O-])nnc1-c1ccccc1 ZINC001594518387 955440316 /nfs/dbraw/zinc/44/03/16/955440316.db2.gz XMDXSAFMIHIRIF-OAHLLOKOSA-N -1 0 318.333 -0.024 20 0 DBADRM Cn1c(C2CC(O)C2)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001594518390 955440715 /nfs/dbraw/zinc/44/07/15/955440715.db2.gz XTUKXIASGLMYCZ-MCRKWQHNSA-N -1 0 308.338 -0.409 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)C[C@@H]1CCOC1)C(=O)[O-] ZINC001593849929 955446450 /nfs/dbraw/zinc/44/64/50/955446450.db2.gz QRYQDLPVWSNIEO-BDAKNGLRSA-N -1 0 309.340 -0.651 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC(C2(O)CC2)CC1)C(=O)[O-] ZINC001589019232 955449461 /nfs/dbraw/zinc/44/94/61/955449461.db2.gz CCVLQXIUNVAQRX-SNVBAGLBSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1)C(=O)[O-] ZINC001589019244 955449666 /nfs/dbraw/zinc/44/96/66/955449666.db2.gz CSFWDIIPVCGCIC-DTWKUNHWSA-N -1 0 321.324 -0.379 20 0 DBADRM Cn1c(Cc2cc[nH]n2)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001594519740 955449887 /nfs/dbraw/zinc/44/98/87/955449887.db2.gz COTIDOATQKXPFM-YMTOWFKASA-N -1 0 318.337 -0.334 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001593850549 955451274 /nfs/dbraw/zinc/45/12/74/955451274.db2.gz INAILNZHZHDFCH-CPFSXVBKSA-N -1 0 301.295 -0.292 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NCC[C@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC001589019516 955451807 /nfs/dbraw/zinc/45/18/07/955451807.db2.gz GHMQYCJEDAVWQI-ZJUUUORDSA-N -1 0 313.354 -0.850 20 0 DBADRM Cn1c(=O)cc(COC(=O)[C@H](C(=O)[O-])C(C)(C)C)n(C)c1=O ZINC001594520349 955454042 /nfs/dbraw/zinc/45/40/42/955454042.db2.gz SGSOXGAKRXJAAC-JTQLQIEISA-N -1 0 312.322 -0.126 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001594521867 955461803 /nfs/dbraw/zinc/46/18/03/955461803.db2.gz KWICJVVXXMMNJA-HTQZYQBOSA-N -1 0 314.367 -0.010 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@@H]1CCC[C@H]1CCO)C(=O)[O-] ZINC001589019969 955462170 /nfs/dbraw/zinc/46/21/70/955462170.db2.gz MDBOPBRIZMPKDN-OUAUKWLOSA-N -1 0 300.355 -0.167 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001594522035 955463288 /nfs/dbraw/zinc/46/32/88/955463288.db2.gz OVMGXBGUTBATRT-SSDOTTSWSA-N -1 0 315.355 -0.859 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@H](CC(N)=O)C1)C(=O)[O-] ZINC001589020327 955464622 /nfs/dbraw/zinc/46/46/22/955464622.db2.gz RQMVMCOHMCHHSH-NXEZZACHSA-N -1 0 313.354 -0.721 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)Cc1ccccc1C(=O)[O-] ZINC001593851633 955466463 /nfs/dbraw/zinc/46/64/63/955466463.db2.gz XTDPGTPMJPZRDW-UHFFFAOYSA-N -1 0 308.290 -0.667 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@@]12CCOC2=O)C(=O)[O-] ZINC001589021232 955471042 /nfs/dbraw/zinc/47/10/42/955471042.db2.gz YYCXLJMORUEJIA-XPTSAGLGSA-N -1 0 312.322 -0.526 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC(CCO)CC1)C(=O)[O-] ZINC001589021297 955472906 /nfs/dbraw/zinc/47/29/06/955472906.db2.gz ZJMJKXOFASQSCD-SNVBAGLBSA-N -1 0 300.355 -0.214 20 0 DBADRM COC(=O)Cc1cccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)n1 ZINC001593854176 955482101 /nfs/dbraw/zinc/48/21/01/955482101.db2.gz SYXCABOXROWCQJ-SECBINFHSA-N -1 0 307.262 -0.035 20 0 DBADRM Cn1cc(Br)c(C(=O)OCC(=O)NCC(=O)[O-])n1 ZINC001594523931 955485381 /nfs/dbraw/zinc/48/53/81/955485381.db2.gz IYRIJTMJXAZRGM-UHFFFAOYSA-N -1 0 320.099 -0.460 20 0 DBADRM Cn1cc(-c2nnc(N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)n2C)nn1 ZINC001594524082 955488548 /nfs/dbraw/zinc/48/85/48/955488548.db2.gz SBVWRIBNIMVXRU-AMIZOPFISA-N -1 0 319.325 -0.852 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)n1 ZINC001593855400 955493048 /nfs/dbraw/zinc/49/30/48/955493048.db2.gz FEOILXQIQVIOMG-GFCCVEGCSA-N -1 0 312.282 -0.579 20 0 DBADRM C[C@H](CN(C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC001589027273 955505710 /nfs/dbraw/zinc/50/57/10/955505710.db2.gz ZESGHFAYWCNVDQ-NXEZZACHSA-N -1 0 321.399 -0.228 20 0 DBADRM Cn1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1C=O ZINC001594526718 955507154 /nfs/dbraw/zinc/50/71/54/955507154.db2.gz IFMCYFKLZBVRTN-SNVBAGLBSA-N -1 0 314.319 -0.839 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC001594529196 955511974 /nfs/dbraw/zinc/51/19/74/955511974.db2.gz AIJLZJMFMLNJLL-UHFFFAOYSA-N -1 0 309.322 -0.170 20 0 DBADRM COC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593860890 955540376 /nfs/dbraw/zinc/54/03/76/955540376.db2.gz GRXPCMROEBHUMY-ZJUUUORDSA-N -1 0 312.322 -0.526 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)[C@@H]3CCC(=O)N3)C2)cn1 ZINC001594531923 955541368 /nfs/dbraw/zinc/54/13/68/955541368.db2.gz OOECGLBNVVMJJX-FOGDFJRCSA-N -1 0 320.349 -0.285 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cn1 ZINC001594532422 955544560 /nfs/dbraw/zinc/54/45/60/955544560.db2.gz RYXPYPHJEICULX-PWSUYJOCSA-N -1 0 324.337 -0.965 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)[C@H]3CC(=O)N3)C2)cn1 ZINC001594532979 955549518 /nfs/dbraw/zinc/54/95/18/955549518.db2.gz YRHLPDCCIHQPSG-FXPVBKGRSA-N -1 0 306.322 -0.675 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001593862359 955552251 /nfs/dbraw/zinc/55/22/51/955552251.db2.gz APQISQDZEHHNJU-JRKPZEMJSA-N -1 0 301.295 -0.686 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CCO[C@@H](C(=O)[O-])C2)C[C@H]1C ZINC001593862513 955555139 /nfs/dbraw/zinc/55/51/39/955555139.db2.gz JZOPCKHDRZTVIG-ZYUZMQFOSA-N -1 0 301.295 -0.735 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC001589037001 955556442 /nfs/dbraw/zinc/55/64/42/955556442.db2.gz QAFVLLUHQWJIED-BQBZGAKWSA-N -1 0 312.244 -0.387 20 0 DBADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(Cc3nnn(C)n3)C2)cn1 ZINC001594534432 955558479 /nfs/dbraw/zinc/55/84/79/955558479.db2.gz GDSFZRSMOWOIIQ-VHSXEESVSA-N -1 0 305.342 -0.366 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001593862828 955560164 /nfs/dbraw/zinc/56/01/64/955560164.db2.gz VCCQJWWCUYQZPV-MIZYBKAJSA-N -1 0 315.322 -0.297 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CCOC[C@@H]2C(=O)[O-])C[C@H]1C ZINC001593862881 955561785 /nfs/dbraw/zinc/56/17/85/955561785.db2.gz XVBLAHNQTJIFHS-ZYUZMQFOSA-N -1 0 301.295 -0.735 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001593863479 955564457 /nfs/dbraw/zinc/56/44/57/955564457.db2.gz JIZFJWNTYRRAMM-VGMNWLOBSA-N -1 0 317.342 -0.585 20 0 DBADRM C[C@H](CN(C)c1nnnn1CCCN1CCOCC1)C(=O)[O-] ZINC001589039261 955578493 /nfs/dbraw/zinc/57/84/93/955578493.db2.gz ZZMOGKVZTKABBA-LLVKDONJSA-N -1 0 312.374 -0.448 20 0 DBADRM Cn1cc([C@@H]2C[C@H](NC(=O)[C@@H]3CC(C(=O)[O-])=NO3)CCO2)cn1 ZINC001594536939 955584018 /nfs/dbraw/zinc/58/40/18/955584018.db2.gz HDFVSWJWAVKVKI-USWWRNFRSA-N -1 0 322.321 -0.014 20 0 DBADRM C[C@H](CNC(=O)[C@H](NC(=O)C1CCCC1)[C@H](C)O)C(=O)[O-] ZINC001589040469 955594499 /nfs/dbraw/zinc/59/44/99/955594499.db2.gz YLNISCAENSSYAJ-WCABBAIRSA-N -1 0 300.355 -0.121 20 0 DBADRM COC(=O)c1cc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c[nH]1 ZINC001593867852 955602015 /nfs/dbraw/zinc/60/20/15/955602015.db2.gz PHROYWNGSXPBJI-XPTSAGLGSA-N -1 0 308.290 -0.026 20 0 DBADRM C[C@@H](CNC(=O)N1CCN(Cc2cnn(C)c2)CC1)C(=O)[O-] ZINC001589050095 955651398 /nfs/dbraw/zinc/65/13/98/955651398.db2.gz RXZUMJVDOITIMJ-NSHDSACASA-N -1 0 309.370 -0.032 20 0 DBADRM C[C@@H](CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC001589050690 955659196 /nfs/dbraw/zinc/65/91/96/955659196.db2.gz MGULVKOKYPCORG-AUTRQRHGSA-N -1 0 320.367 -0.838 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cn1 ZINC001594541777 955659650 /nfs/dbraw/zinc/65/96/50/955659650.db2.gz NOEPYMMTFTULAS-CQSZACIVSA-N -1 0 308.338 -0.598 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)on1 ZINC001593875404 955662852 /nfs/dbraw/zinc/66/28/52/955662852.db2.gz PPJCGKPWGDPXPO-ZCFIWIBFSA-N -1 0 304.280 -0.444 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])CCC2=O)cn1 ZINC001594545330 955681238 /nfs/dbraw/zinc/68/12/38/955681238.db2.gz CBKHZMFRMAHUBX-XPTSAGLGSA-N -1 0 324.337 -0.885 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2=O)cn1 ZINC001594546484 955686721 /nfs/dbraw/zinc/68/67/21/955686721.db2.gz RNBAIERUPGDSDC-GUBZILKMSA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1cc(N2CC[C@H](Nc3ccn(CC(=O)[O-])n3)C2=O)cn1 ZINC001594546612 955688337 /nfs/dbraw/zinc/68/83/37/955688337.db2.gz WCMGTJDCTSVINY-JTQLQIEISA-N -1 0 304.310 -0.081 20 0 DBADRM Cn1cc(Cl)c(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001594546627 955688628 /nfs/dbraw/zinc/68/86/28/955688628.db2.gz WFDUMGGCYAYVRW-SECBINFHSA-N -1 0 307.759 -0.243 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000387327683 972118764 /nfs/dbraw/zinc/11/87/64/972118764.db2.gz UJDBYNNBCFHRTQ-SECBINFHSA-N -1 0 306.274 -0.169 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC001593880629 955703439 /nfs/dbraw/zinc/70/34/39/955703439.db2.gz JIFPRVAKUDJCJT-AWEZNQCLSA-N -1 0 324.289 -0.637 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594549749 955715461 /nfs/dbraw/zinc/71/54/61/955715461.db2.gz SIQVQHLAXHJELH-ONGXEEELSA-N -1 0 324.333 -0.023 20 0 DBADRM Cn1cc(NC(=O)c2cccn(CC(=O)[O-])c2=O)c(C(N)=O)n1 ZINC001594549875 955716967 /nfs/dbraw/zinc/71/69/67/955716967.db2.gz WNAWDJVSZPERAL-UHFFFAOYSA-N -1 0 319.277 -0.982 20 0 DBADRM Cn1ccc(CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])n1 ZINC001594550207 955719385 /nfs/dbraw/zinc/71/93/85/955719385.db2.gz CGBHHTYINOTDBZ-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM Cn1ccc(NC(=O)C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])n1 ZINC001594550768 955723847 /nfs/dbraw/zinc/72/38/47/955723847.db2.gz RLIIQPQLTZSFRK-JTQLQIEISA-N -1 0 317.305 -0.434 20 0 DBADRM Cn1cccc1[C@H]1CCCN1C(=O)C(=O)NCCOCC(=O)[O-] ZINC001594551370 955728240 /nfs/dbraw/zinc/72/82/40/955728240.db2.gz BPZKZFWXSMTSTJ-GFCCVEGCSA-N -1 0 323.349 -0.094 20 0 DBADRM Cn1cccc1[C@@H]1CCCN1C(=O)C(=O)NCCOCC(=O)[O-] ZINC001594551371 955728360 /nfs/dbraw/zinc/72/83/60/955728360.db2.gz BPZKZFWXSMTSTJ-LBPRGKRZSA-N -1 0 323.349 -0.094 20 0 DBADRM Cn1ccnc1C1(O)CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001594553971 955743056 /nfs/dbraw/zinc/74/30/56/955743056.db2.gz FJSBFVMSBNQVCO-SNVBAGLBSA-N -1 0 322.321 -0.540 20 0 DBADRM Cn1cnc(-c2cccc(NC(=O)C(=O)NCC(=O)[O-])c2)n1 ZINC001594556365 955765661 /nfs/dbraw/zinc/76/56/61/955765661.db2.gz AVXYPVFDEYRIQQ-UHFFFAOYSA-N -1 0 303.278 -0.379 20 0 DBADRM Cn1cnc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cc1=O ZINC001594556516 955766930 /nfs/dbraw/zinc/76/69/30/955766930.db2.gz KUEXVLKGNFEKHN-LLVKDONJSA-N -1 0 302.290 -0.399 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001593890628 955776073 /nfs/dbraw/zinc/77/60/73/955776073.db2.gz ITBTUOVJGYHYEC-HTRCEHHLSA-N -1 0 317.323 -0.178 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593890741 955777729 /nfs/dbraw/zinc/77/77/29/955777729.db2.gz KWQHTJNWVLXCIB-RQJHMYQMSA-N -1 0 317.323 -0.272 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nn1 ZINC001593890861 955779283 /nfs/dbraw/zinc/77/92/83/955779283.db2.gz OVMMFBPOCPHQAJ-DTWKUNHWSA-N -1 0 310.310 -0.366 20 0 DBADRM COC(=O)c1cn(CCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)nn1 ZINC001593890822 955779296 /nfs/dbraw/zinc/77/92/96/955779296.db2.gz OKVUOLZNACBOCD-ZKCHVHJHSA-N -1 0 311.298 -0.773 20 0 DBADRM COC(=O)c1cn([C@H]2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])C2)nn1 ZINC001593890940 955781297 /nfs/dbraw/zinc/78/12/97/955781297.db2.gz CLPWLTAHCXMVKL-IVZWLZJFSA-N -1 0 322.321 -0.051 20 0 DBADRM COC(=O)c1cnc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cn1 ZINC001593891099 955782289 /nfs/dbraw/zinc/78/22/89/955782289.db2.gz RYZAXODUMGDHDU-RTHLEPHNSA-N -1 0 321.289 -0.564 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)n1 ZINC001594557999 955782579 /nfs/dbraw/zinc/78/25/79/955782579.db2.gz QWZNXSPVCQLSGL-SECBINFHSA-N -1 0 309.326 -0.855 20 0 DBADRM Cn1cnnc1[C@@H](CO)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001594558407 955785087 /nfs/dbraw/zinc/78/50/87/955785087.db2.gz GCIXRTVLQFRCEH-LLVKDONJSA-N -1 0 320.305 -0.258 20 0 DBADRM Cn1cnnc1[C@@H](CO)NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001594558452 955787044 /nfs/dbraw/zinc/78/70/44/955787044.db2.gz IXJMQTBCCOHYLY-SECBINFHSA-N -1 0 312.326 -0.764 20 0 DBADRM C[C@@H](CO)CCCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589072835 955788440 /nfs/dbraw/zinc/78/84/40/955788440.db2.gz DVTXLYDBPQCWMQ-SNVBAGLBSA-N -1 0 321.395 -0.209 20 0 DBADRM C[C@H](CO)CCCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589072833 955788558 /nfs/dbraw/zinc/78/85/58/955788558.db2.gz DVTXLYDBPQCWMQ-JTQLQIEISA-N -1 0 321.395 -0.209 20 0 DBADRM COC(=O)c1cn([C@H]2CCN(C(=O)[C@H](C(=O)[O-])C3CC3)C2)nn1 ZINC001593891611 955788872 /nfs/dbraw/zinc/78/88/72/955788872.db2.gz LBJYIEJBIPEDRN-GXSJLCMTSA-N -1 0 322.321 -0.051 20 0 DBADRM Cn1cnnc1[C@@H]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001594559770 955797705 /nfs/dbraw/zinc/79/77/05/955797705.db2.gz PCPNIRXWDKRPML-MRVPVSSYSA-N -1 0 302.294 -0.067 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001589074987 955802641 /nfs/dbraw/zinc/80/26/41/955802641.db2.gz HHDOJZMCVPJLPD-GMTAPVOTSA-N -1 0 314.338 -0.770 20 0 DBADRM COC(=O)c1coc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC001593893840 955805496 /nfs/dbraw/zinc/80/54/96/955805496.db2.gz HWBSFBWWMWMFSQ-JTQLQIEISA-N -1 0 317.319 -0.250 20 0 DBADRM COC(=O)c1cnn(CC(=O)N[C@H](C(=O)[O-])c2ccnn2C)c1 ZINC001593894175 955813897 /nfs/dbraw/zinc/81/38/97/955813897.db2.gz WJAPHZYNZXIRSU-NSHDSACASA-N -1 0 321.293 -0.655 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC2(CNC(=O)C2)CC1 ZINC001594563490 955813867 /nfs/dbraw/zinc/81/38/67/955813867.db2.gz FLIQRDYNUACWOV-UHFFFAOYSA-N -1 0 306.322 -0.139 20 0 DBADRM COC(=O)c1nc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cs1 ZINC001593894486 955816723 /nfs/dbraw/zinc/81/67/23/955816723.db2.gz CBFRLEMCXNJOBA-SSDOTTSWSA-N -1 0 300.292 -0.145 20 0 DBADRM O=C([O-])C1(c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000387639681 972130339 /nfs/dbraw/zinc/13/03/39/972130339.db2.gz BIBBNDROLHJPAN-UHFFFAOYSA-N -1 0 324.358 -0.077 20 0 DBADRM COC(=O)c1ncoc1CCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001593897076 955829462 /nfs/dbraw/zinc/82/94/62/955829462.db2.gz AUQGUPDBODLLSJ-QMMMGPOBSA-N -1 0 312.278 -0.294 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589077035 955829785 /nfs/dbraw/zinc/82/97/85/955829785.db2.gz OGCZNTOJAMLAPA-ZPWHCFADSA-N -1 0 300.336 -0.570 20 0 DBADRM C[C@H](C[S@](C)=O)N(C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589077228 955832196 /nfs/dbraw/zinc/83/21/96/955832196.db2.gz RPGWHSFSBNXZEA-QDXVKYEASA-N -1 0 318.395 -0.465 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCC1(C(N)=O)CCOCC1 ZINC001594565054 955836480 /nfs/dbraw/zinc/83/64/80/955836480.db2.gz RCPLJKNXYKCPAG-UHFFFAOYSA-N -1 0 310.310 -0.870 20 0 DBADRM COC(=O)c1nc[nH]c1NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593897620 955836602 /nfs/dbraw/zinc/83/66/02/955836602.db2.gz JJGCUKPKCJGTOP-UHFFFAOYSA-N -1 0 320.261 -0.305 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001594565664 955843516 /nfs/dbraw/zinc/84/35/16/955843516.db2.gz KHZIMPUDQQCNDC-UWVGGRQHSA-N -1 0 308.338 -0.289 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCCCS(C)(=O)=O ZINC001594565899 955844738 /nfs/dbraw/zinc/84/47/38/955844738.db2.gz SOLDGVLAXQFOGI-UHFFFAOYSA-N -1 0 303.340 -0.327 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@H]1CCCN(C(N)=O)C1 ZINC001594566095 955847413 /nfs/dbraw/zinc/84/74/13/955847413.db2.gz ZBJNLQJXBAQKGH-MRVPVSSYSA-N -1 0 309.326 -0.361 20 0 DBADRM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001589083533 955881441 /nfs/dbraw/zinc/88/14/41/955881441.db2.gz NJQQYNOXXUWFSP-WCBMZHEXSA-N -1 0 315.351 -0.702 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589084197 955889670 /nfs/dbraw/zinc/88/96/70/955889670.db2.gz YEJCLZGGAFGWRD-GHMZBOCLSA-N -1 0 308.338 -0.289 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC001593904157 955891473 /nfs/dbraw/zinc/89/14/73/955891473.db2.gz BIWYUNNRTBSGIL-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC001593904214 955892313 /nfs/dbraw/zinc/89/23/13/955892313.db2.gz CLVWIOGELWVFQH-ZJUUUORDSA-N -1 0 305.352 -0.488 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC(C2N=NC(=S)N2C)CC1 ZINC001593904480 955894917 /nfs/dbraw/zinc/89/49/17/955894917.db2.gz HFBUFIDSTXGSJD-MRVPVSSYSA-N -1 0 314.367 -0.091 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C1(CO)CC1 ZINC001589086009 955899903 /nfs/dbraw/zinc/89/99/03/955899903.db2.gz CZCPDDBJITUTSG-QMMMGPOBSA-N -1 0 310.310 -0.817 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CCCC[C@@H]1CS(N)(=O)=O ZINC001594572164 955900012 /nfs/dbraw/zinc/90/00/12/955900012.db2.gz WUVQIGCZVYUENU-SECBINFHSA-N -1 0 316.383 -0.239 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CCCC[C@H]1CS(N)(=O)=O ZINC001594572167 955900779 /nfs/dbraw/zinc/90/07/79/955900779.db2.gz WUVQIGCZVYUENU-VIFPVBQESA-N -1 0 316.383 -0.239 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)c1cnn(C)c1 ZINC001589086158 955900984 /nfs/dbraw/zinc/90/09/84/955900984.db2.gz GGEPZVUUROIUJN-UWVGGRQHSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@H](NC(=O)C(=O)NCCCC(=O)[O-])c1nnc2n1CCC2 ZINC001589086537 955905022 /nfs/dbraw/zinc/90/50/22/955905022.db2.gz QQJDBXMDTVTYAK-QMMMGPOBSA-N -1 0 309.326 -0.618 20 0 DBADRM C[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])c1nnc2n1CCC2 ZINC001589086536 955905450 /nfs/dbraw/zinc/90/54/50/955905450.db2.gz QQJDBXMDTVTYAK-MRVPVSSYSA-N -1 0 309.326 -0.618 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C ZINC001593905821 955911525 /nfs/dbraw/zinc/91/15/25/955911525.db2.gz KPRGKSNUFYDHGR-HTQZYQBOSA-N -1 0 304.368 -0.098 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001593905950 955912658 /nfs/dbraw/zinc/91/26/58/955912658.db2.gz NCPLYACUKPRLSB-LBPRGKRZSA-N -1 0 322.317 -0.224 20 0 DBADRM Cn1nc(C2CC2)cc1CNC(=O)c1cn(CC(=O)[O-])nn1 ZINC001594575721 955915322 /nfs/dbraw/zinc/91/53/22/955915322.db2.gz JIOXIOOBDZBFPK-UHFFFAOYSA-N -1 0 304.310 -0.096 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(C2=NC[C@H](C)S2)CC1 ZINC001593906509 955922611 /nfs/dbraw/zinc/92/26/11/955922611.db2.gz ZJEWUBHLVZEHQW-IUCAKERBSA-N -1 0 301.368 -0.279 20 0 DBADRM Cn1nc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C1CC1 ZINC001594577207 955926937 /nfs/dbraw/zinc/92/69/37/955926937.db2.gz FWFYDPNQSJPFQM-SNVBAGLBSA-N -1 0 322.321 -0.452 20 0 DBADRM Cn1nc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1C1CC1 ZINC001594577206 955927663 /nfs/dbraw/zinc/92/76/63/955927663.db2.gz FWFYDPNQSJPFQM-JTQLQIEISA-N -1 0 322.321 -0.452 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCC(=O)N1CCOc2ccccc21 ZINC001593907175 955933694 /nfs/dbraw/zinc/93/36/94/955933694.db2.gz SVJUPROGTLFNAE-GFCCVEGCSA-N -1 0 308.290 -0.372 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H]1C[C@H](N2CCOCC2)C1(C)C ZINC001593907116 955933866 /nfs/dbraw/zinc/93/38/66/955933866.db2.gz RQEHYROZGCXEGX-DCAQKATOSA-N -1 0 300.355 -0.299 20 0 DBADRM Cn1ncc(C(=O)COC(=O)C2(CC(=O)[O-])CCOCC2)n1 ZINC001594578463 955941158 /nfs/dbraw/zinc/94/11/58/955941158.db2.gz PZFQAZVBSGSSDG-UHFFFAOYSA-N -1 0 311.294 -0.188 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)c(C)c1 ZINC001593907902 955946452 /nfs/dbraw/zinc/94/64/52/955946452.db2.gz BJGSZZXWHRZRQW-SNVBAGLBSA-N -1 0 316.335 -0.642 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c1-n1cnnc1 ZINC001594579069 955947394 /nfs/dbraw/zinc/94/73/94/955947394.db2.gz LSFHLPOYRJVOEF-SCZZXKLOSA-N -1 0 304.310 -0.016 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCCNC(=O)NC1CCCCC1 ZINC001593908487 955952476 /nfs/dbraw/zinc/95/24/76/955952476.db2.gz ZLRZDIGZVBSFEK-JTQLQIEISA-N -1 0 301.343 -0.166 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1ccn(C)n1 ZINC001589092280 955956232 /nfs/dbraw/zinc/95/62/32/955956232.db2.gz MTTYHZZKTCOJDB-UWVGGRQHSA-N -1 0 308.338 -0.080 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1ccc(CS(C)(=O)=O)cc1 ZINC001593909202 955958339 /nfs/dbraw/zinc/95/83/39/955958339.db2.gz RUQMRUUMHAUNJP-LLVKDONJSA-N -1 0 315.347 -0.053 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC001593909302 955959642 /nfs/dbraw/zinc/95/96/42/955959642.db2.gz VUDWXOSTYDXGNO-NSHDSACASA-N -1 0 315.347 -0.053 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1cccc(N2CCOCC2)n1 ZINC001593909490 955960982 /nfs/dbraw/zinc/96/09/82/955960982.db2.gz YXPIAJNIHQNQOD-LBPRGKRZSA-N -1 0 309.322 -0.366 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC001593912337 955978033 /nfs/dbraw/zinc/97/80/33/955978033.db2.gz CSAKVQIDMIMOJT-GFCCVEGCSA-N -1 0 307.306 -0.339 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC001593912681 955983576 /nfs/dbraw/zinc/98/35/76/955983576.db2.gz LNBUYHQEDXNEPR-JOYOIKCWSA-N -1 0 320.301 -0.070 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(CS(N)(=O)=O)cc1 ZINC001593912712 955984241 /nfs/dbraw/zinc/98/42/41/955984241.db2.gz MHFXDOASYIYFGA-VIFPVBQESA-N -1 0 302.308 -0.487 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC001593913010 955988428 /nfs/dbraw/zinc/98/84/28/955988428.db2.gz HZNZABCCBOOLBZ-NSHDSACASA-N -1 0 321.289 -0.224 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC001593913009 955988707 /nfs/dbraw/zinc/98/87/07/955988707.db2.gz HZNZABCCBOOLBZ-LLVKDONJSA-N -1 0 321.289 -0.224 20 0 DBADRM Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001594586211 955999853 /nfs/dbraw/zinc/99/98/53/955999853.db2.gz NHVJNJDYCGBVHV-ONGXEEELSA-N -1 0 320.349 -0.153 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O)CC2 ZINC001594586109 956000484 /nfs/dbraw/zinc/00/04/84/956000484.db2.gz JXWQNKAMWMWPNR-JOYOIKCWSA-N -1 0 321.333 -0.246 20 0 DBADRM C[C@@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)c1nnnn1C ZINC001589102369 956010676 /nfs/dbraw/zinc/01/06/76/956010676.db2.gz MGQZETKDDMZAKK-MRVPVSSYSA-N -1 0 312.330 -0.548 20 0 DBADRM Cn1ncc2cc(C(=O)Nc3ncn(CC(=O)[O-])n3)cnc21 ZINC001594587796 956016116 /nfs/dbraw/zinc/01/61/16/956016116.db2.gz MPLZDHKJTMKIBN-UHFFFAOYSA-N -1 0 301.266 -0.103 20 0 DBADRM C[C@@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)c1ncnn1C ZINC001589102843 956017854 /nfs/dbraw/zinc/01/78/54/956017854.db2.gz ISMQRICRTMHHAX-ZDMBXUJBSA-N -1 0 309.326 -0.381 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)C(=O)Nc1cccnc1F)C(=O)[O-] ZINC001594588191 956018473 /nfs/dbraw/zinc/01/84/73/956018473.db2.gz SGTFJNKPAQXELY-SECBINFHSA-N -1 0 321.268 -0.165 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)O[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC001593915600 956018686 /nfs/dbraw/zinc/01/86/86/956018686.db2.gz PORDPOFMWXODNC-SCZZXKLOSA-N -1 0 311.294 -0.523 20 0 DBADRM C[C@@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)c1nnnn1C ZINC001589103849 956024802 /nfs/dbraw/zinc/02/48/02/956024802.db2.gz SXOKIOBMBIRHRN-LWINAJNOSA-N -1 0 310.314 -0.986 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CS(=O)(=O)C1CC1)C(=O)[O-] ZINC001594588856 956028195 /nfs/dbraw/zinc/02/81/95/956028195.db2.gz KQMVSUGWGPGJFO-SNVBAGLBSA-N -1 0 301.324 -0.761 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)c1cn(CC2CC2)nn1)C(=O)[O-] ZINC001594590734 956057311 /nfs/dbraw/zinc/05/73/11/956057311.db2.gz YJCINFWWUBGSGH-LLVKDONJSA-N -1 0 304.310 -0.023 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)C1=C2CCCN=C2NN1)C(=O)[O-] ZINC001594590689 956057858 /nfs/dbraw/zinc/05/78/58/956057858.db2.gz WVYQMDOISWHOQB-SNVBAGLBSA-N -1 0 304.310 -0.784 20 0 DBADRM Cn1nccc1[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC001594593257 956067367 /nfs/dbraw/zinc/06/73/67/956067367.db2.gz SCPLOVAICLFZOK-SNVBAGLBSA-N -1 0 308.338 -0.283 20 0 DBADRM CO[C@H](C(=O)OC(C)(C)C)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001593920819 956075566 /nfs/dbraw/zinc/07/55/66/956075566.db2.gz RPCKJHJWDCTLJB-IUCAKERBSA-N -1 0 303.311 -0.345 20 0 DBADRM CO[C@H](C(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001593920817 956075873 /nfs/dbraw/zinc/07/58/73/956075873.db2.gz RPCKJHJWDCTLJB-BDAKNGLRSA-N -1 0 303.311 -0.345 20 0 DBADRM CO[C@@H](C(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001593921099 956077506 /nfs/dbraw/zinc/07/75/06/956077506.db2.gz STKQXODIGULJNT-DTWKUNHWSA-N -1 0 303.311 -0.345 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)OCC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001593921271 956079086 /nfs/dbraw/zinc/07/90/86/956079086.db2.gz XISMAIMWLRIWMU-UPBARMNASA-N -1 0 306.336 -0.015 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC000388029033 972152287 /nfs/dbraw/zinc/15/22/87/972152287.db2.gz KQWBQSCXJGWYFI-MRVPVSSYSA-N -1 0 311.298 -0.819 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(CCc2cnccn2)CC1 ZINC001593921837 956085787 /nfs/dbraw/zinc/08/57/87/956085787.db2.gz BIZCZXDUZQYWEY-HNNXBMFYSA-N -1 0 322.365 -0.347 20 0 DBADRM Cn1nccc1[C@@H]1CN(CN2C[C@@H](C(=O)[O-])CC2=O)CCO1 ZINC001594596300 956092627 /nfs/dbraw/zinc/09/26/27/956092627.db2.gz CUKZYJKTLMUDSG-JQWIXIFHSA-N -1 0 308.338 -0.316 20 0 DBADRM C[C@H](NC(=O)c1cc(C(=O)[O-])nn1C)C1(S(C)(=O)=O)CC1 ZINC001589115470 956093460 /nfs/dbraw/zinc/09/34/60/956093460.db2.gz VXEDEKMZMQEOIS-ZETCQYMHSA-N -1 0 315.351 -0.186 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC001593922410 956095162 /nfs/dbraw/zinc/09/51/62/956095162.db2.gz NTAACAVAJJLOQC-MJVIPROJSA-N -1 0 300.355 -0.466 20 0 DBADRM Cn1nnc2c1nccc2C(=O)NC1(C(=O)[O-])CCOCC1 ZINC001594596827 956101027 /nfs/dbraw/zinc/10/10/27/956101027.db2.gz PSOMOACXHSWRBQ-UHFFFAOYSA-N -1 0 305.294 -0.273 20 0 DBADRM Cn1nccc1CCNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001594596940 956101130 /nfs/dbraw/zinc/10/11/30/956101130.db2.gz NGFIBDVLCQNAIQ-NSHDSACASA-N -1 0 322.365 -0.208 20 0 DBADRM Cn1nnc(CNC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)n1 ZINC001594597221 956103814 /nfs/dbraw/zinc/10/38/14/956103814.db2.gz VRJGQFRFEZBQCO-UHFFFAOYSA-N -1 0 318.293 -0.908 20 0 DBADRM Cn1nnc2c1nccc2C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001594597521 956106060 /nfs/dbraw/zinc/10/60/60/956106060.db2.gz YDNQBQBGJSOFDG-UHFFFAOYSA-N -1 0 301.266 -0.103 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1C[C@H]3COC[C@@]3(C(=O)[O-])C1)CC2 ZINC001594597617 956107703 /nfs/dbraw/zinc/10/77/03/956107703.db2.gz ZHSJADCGMOGHMM-YHAQOWFVSA-N -1 0 320.349 -0.520 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001593924911 956107736 /nfs/dbraw/zinc/10/77/36/956107736.db2.gz DGLULKQMESTWKD-SDBXPKJASA-N -1 0 310.310 -0.633 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC001594598240 956112671 /nfs/dbraw/zinc/11/26/71/956112671.db2.gz OGFFWFGWKGDFLH-HYXAFXHYSA-N -1 0 318.289 -0.151 20 0 DBADRM Cn1nnnc1-c1ccccc1NC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001594598535 956114006 /nfs/dbraw/zinc/11/40/06/956114006.db2.gz UDKGUEUWYZBTMI-ZDUSSCGKSA-N -1 0 320.309 -0.166 20 0 DBADRM Cn1ncnc1CCCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001594598765 956115840 /nfs/dbraw/zinc/11/58/40/956115840.db2.gz AVCGTPWHCFQMLB-SNVBAGLBSA-N -1 0 323.353 -0.813 20 0 DBADRM Cn1nnc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1C(F)(F)F ZINC001594598856 956117231 /nfs/dbraw/zinc/11/72/31/956117231.db2.gz CPAGUQVUMUNFAH-YFKPBYRVSA-N -1 0 308.216 -0.241 20 0 DBADRM Cn1ncnc1C1(O)CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001594599062 956118317 /nfs/dbraw/zinc/11/83/17/956118317.db2.gz JODWCGOFKZZYMM-AWEZNQCLSA-N -1 0 324.337 -0.741 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C ZINC001593928079 956149358 /nfs/dbraw/zinc/14/93/58/956149358.db2.gz SCTOBDGHKGDIKG-SDBXPKJASA-N -1 0 320.342 -0.522 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)OCCN1C(=O)NC(C)(C)C1=O ZINC001593929378 956156081 /nfs/dbraw/zinc/15/60/81/956156081.db2.gz AGQAAEPTINBHEB-LBPRGKRZSA-N -1 0 302.283 -0.650 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)O[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001593930703 956174346 /nfs/dbraw/zinc/17/43/46/956174346.db2.gz MMXLCBZBZWHAPV-MWODSPESSA-N -1 0 303.311 -0.297 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000388266733 972162967 /nfs/dbraw/zinc/16/29/67/972162967.db2.gz MBZXKKPBUOVXTJ-SSDOTTSWSA-N -1 0 309.365 -0.190 20 0 DBADRM COC(C)(C)CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001593935889 956220532 /nfs/dbraw/zinc/22/05/32/956220532.db2.gz QZEIXDCFUMFALS-UHFFFAOYSA-N -1 0 316.354 -0.475 20 0 DBADRM CO[C@](C)(CO)CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593937557 956233352 /nfs/dbraw/zinc/23/33/52/956233352.db2.gz YWTZKKKIURXJTO-ZDUSSCGKSA-N -1 0 311.294 -0.768 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1cnn(C(F)F)c1)C(=O)[O-] ZINC001589137805 956240165 /nfs/dbraw/zinc/24/01/65/956240165.db2.gz CDILNGMFQSASBX-SNVBAGLBSA-N -1 0 306.225 -0.832 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1cnn(C(F)F)c1)C(=O)[O-] ZINC001589137804 956240271 /nfs/dbraw/zinc/24/02/71/956240271.db2.gz CDILNGMFQSASBX-JTQLQIEISA-N -1 0 306.225 -0.832 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N(C)CCC(=O)[O-])[C@@H]1CCOC1 ZINC001593938006 956241455 /nfs/dbraw/zinc/24/14/55/956241455.db2.gz AKSJEMZILULFFK-NXEZZACHSA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1cccc2c1COC2=O)C(=O)[O-] ZINC001589138007 956242384 /nfs/dbraw/zinc/24/23/84/956242384.db2.gz GCEKQCZQEDJKMJ-CQSZACIVSA-N -1 0 322.273 -0.753 20 0 DBADRM C[C@](O)(CNC(=O)CN1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC001589138345 956246146 /nfs/dbraw/zinc/24/61/46/956246146.db2.gz BCDOFJJJEHSUPO-HNNXBMFYSA-N -1 0 322.365 -0.845 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1CN(Cc2ccccc2)CCO1)C(=O)[O-] ZINC001589138522 956249865 /nfs/dbraw/zinc/24/98/65/956249865.db2.gz FQGASYCTEUSQKY-CJNGLKHVSA-N -1 0 322.361 -0.161 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C(F)(F)F ZINC001593939179 956260481 /nfs/dbraw/zinc/26/04/81/956260481.db2.gz XYLPAGKWSQALBG-XVMARJQXSA-N -1 0 312.244 -0.341 20 0 DBADRM C[C@@](O)(CNC(=O)[C@@H]1CCc2nnc(C3CC3)n2C1)C(=O)[O-] ZINC001589139643 956261055 /nfs/dbraw/zinc/26/10/55/956261055.db2.gz YLOAKLMIVRIYFV-YMTOWFKASA-N -1 0 308.338 -0.330 20 0 DBADRM C[C@@](O)(CNC(=O)Cc1csc(-c2nc[nH]n2)n1)C(=O)[O-] ZINC001589140374 956264036 /nfs/dbraw/zinc/26/40/36/956264036.db2.gz JOJIDZXORMVGRQ-LLVKDONJSA-N -1 0 311.323 -0.578 20 0 DBADRM N#Cc1ccc(S(=O)(=O)CCN2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000388330367 972166408 /nfs/dbraw/zinc/16/64/08/972166408.db2.gz DEZKBDAIIIMVJQ-YPMHNXCESA-N -1 0 324.358 -0.148 20 0 DBADRM C[C@](O)(CNC(=O)c1ccccc1SCC(N)=O)C(=O)[O-] ZINC001589144419 956276634 /nfs/dbraw/zinc/27/66/34/956276634.db2.gz MBYNEAPULIUKQK-ZDUSSCGKSA-N -1 0 312.347 -0.171 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC001589144473 956278345 /nfs/dbraw/zinc/27/83/45/956278345.db2.gz PVNBTUDMNMESRI-CYBMUJFWSA-N -1 0 311.294 -0.492 20 0 DBADRM C[C@](O)(CNC(=O)c1cccn(CC(=O)[O-])c1=O)C(F)(F)F ZINC001589144709 956282261 /nfs/dbraw/zinc/28/22/61/956282261.db2.gz VNMGDSOLLIGILY-NSHDSACASA-N -1 0 322.239 -0.024 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC001589146227 956288390 /nfs/dbraw/zinc/28/83/90/956288390.db2.gz FGMUMQHHDMCDTD-VOBJUBJWSA-N -1 0 312.366 -0.025 20 0 DBADRM COC1([C@@H](C)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])CCOCC1 ZINC001593943073 956294908 /nfs/dbraw/zinc/29/49/08/956294908.db2.gz DCHGFGBQMSBSKQ-NXEZZACHSA-N -1 0 316.354 -0.476 20 0 DBADRM COC1([C@@H](C)NC(=O)C(=O)N(C)CCC(=O)[O-])CCOCC1 ZINC001593943143 956296133 /nfs/dbraw/zinc/29/61/33/956296133.db2.gz GDNUONVMVRYCFQ-SNVBAGLBSA-N -1 0 316.354 -0.380 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CCOC1 ZINC001593943230 956296862 /nfs/dbraw/zinc/29/68/62/956296862.db2.gz AYCRGBDZINNEFV-RNCFNFMXSA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589146792 956297873 /nfs/dbraw/zinc/29/78/73/956297873.db2.gz NMFFGCYFWNBVQV-ZETOZRRWSA-N -1 0 308.334 -0.031 20 0 DBADRM COC1(CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CCOCC1 ZINC001593943484 956300564 /nfs/dbraw/zinc/30/05/64/956300564.db2.gz JLUDMUVRWVJLCQ-JTQLQIEISA-N -1 0 316.354 -0.523 20 0 DBADRM CO[C@]1(C(=O)NCCCCCC(=O)[O-])CCS(=O)(=O)C1 ZINC001593943618 956303072 /nfs/dbraw/zinc/30/30/72/956303072.db2.gz OOZFLVXUSTYWBN-GFCCVEGCSA-N -1 0 307.368 -0.049 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-] ZINC001589147230 956304690 /nfs/dbraw/zinc/30/46/90/956304690.db2.gz ABYSZEUHHMQJDY-SSDOTTSWSA-N -1 0 309.262 -0.680 20 0 DBADRM C[C@](O)(CO)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589147314 956305811 /nfs/dbraw/zinc/30/58/11/956305811.db2.gz DBDKXZIVTWGWAW-CQSZACIVSA-N -1 0 310.306 -0.888 20 0 DBADRM CO[C@]1(C(=O)Nc2cc(C(=O)[O-])ccn2)CCS(=O)(=O)C1 ZINC001593943930 956307639 /nfs/dbraw/zinc/30/76/39/956307639.db2.gz ULEMAAWFNVVWFJ-GFCCVEGCSA-N -1 0 314.319 -0.078 20 0 DBADRM C[C@@](O)(CNC(=O)c1cncc(N2CCOCC2)c1)C(=O)[O-] ZINC001589147485 956309449 /nfs/dbraw/zinc/30/94/49/956309449.db2.gz TZVDDOSMLOWWFL-CQSZACIVSA-N -1 0 309.322 -0.516 20 0 DBADRM COC1(C(=O)N(CC(=O)[O-])CC(C)(C)C)CS(=O)(=O)C1 ZINC001593944052 956309692 /nfs/dbraw/zinc/30/96/92/956309692.db2.gz WCCNGJRKTUWXCW-UHFFFAOYSA-N -1 0 307.368 -0.241 20 0 DBADRM C[C@](O)(CO)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001589147583 956310931 /nfs/dbraw/zinc/31/09/31/956310931.db2.gz HEVJMGMKBZPNSF-CYBMUJFWSA-N -1 0 314.269 -0.678 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-] ZINC001589148008 956317519 /nfs/dbraw/zinc/31/75/19/956317519.db2.gz MIUCIKLTTOXXCK-LLVKDONJSA-N -1 0 316.291 -0.353 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1ccnn1C1CCC1)C(=O)[O-] ZINC001589148312 956321151 /nfs/dbraw/zinc/32/11/51/956321151.db2.gz PYENPMCWFXOFQE-LLVKDONJSA-N -1 0 303.340 -0.278 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)Cc1ccc(Cl)nc1)C(=O)[O-] ZINC001589148513 956322967 /nfs/dbraw/zinc/32/29/67/956322967.db2.gz VILDHKZDSTUKHC-SNVBAGLBSA-N -1 0 308.743 -0.010 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)C2(CC(=O)[O-])CCOCC2)CC1 ZINC001589151708 956326144 /nfs/dbraw/zinc/32/61/44/956326144.db2.gz ABURPQDEPQKLDX-GFCCVEGCSA-N -1 0 314.382 -0.217 20 0 DBADRM CO[C@@]1(CO)CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001593945884 956328093 /nfs/dbraw/zinc/32/80/93/956328093.db2.gz PZVMNKHXYDGQQO-JQWIXIFHSA-N -1 0 322.383 -0.747 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N(C[C@@H](C)O)C1CC1)C(=O)[O-] ZINC001589151968 956328581 /nfs/dbraw/zinc/32/85/81/956328581.db2.gz GCNOYXNBHGDJEZ-KOLCDFICSA-N -1 0 300.355 -0.169 20 0 DBADRM C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001589152257 956333027 /nfs/dbraw/zinc/33/30/27/956333027.db2.gz DQTOGFCLKBPBNZ-GARJFASQSA-N -1 0 314.338 -0.940 20 0 DBADRM C[C@@H](O)CN(CC(F)F)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589152747 956340794 /nfs/dbraw/zinc/34/07/94/956340794.db2.gz SUBFQWKGXXJRSP-SFYZADRCSA-N -1 0 316.326 -0.272 20 0 DBADRM COC1(OC)CCOC[C@@H]1NC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001593947468 956342947 /nfs/dbraw/zinc/34/29/47/956342947.db2.gz IYMPAXAXJIULCN-IUCAKERBSA-N -1 0 302.283 -0.890 20 0 DBADRM COC1(OC)CC(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001593947811 956346379 /nfs/dbraw/zinc/34/63/79/956346379.db2.gz LIOHIUNSVZAFCM-SNVBAGLBSA-N -1 0 314.338 -0.423 20 0 DBADRM COC1(c2nnc(N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)n2C)CC1 ZINC001593948122 956349920 /nfs/dbraw/zinc/34/99/20/956349920.db2.gz SLMDDTCYAPOTQW-NOZJJQNGSA-N -1 0 308.338 -0.012 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N[C@@H](C(=O)[O-])c2ccnn2C)nn1 ZINC001589153684 956351762 /nfs/dbraw/zinc/35/17/62/956351762.db2.gz BHNNRPUEHZZPBS-RDDDGLTNSA-N -1 0 308.298 -0.993 20 0 DBADRM CO[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)[C@@H](C)C1 ZINC001593948870 956356010 /nfs/dbraw/zinc/35/60/10/956356010.db2.gz AGNMQONMYRWJQX-VHSXEESVSA-N -1 0 324.337 -0.068 20 0 DBADRM CO[C@@H]1CC[C@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001593949281 956361276 /nfs/dbraw/zinc/36/12/76/956361276.db2.gz NJMGYYKECOFNPF-VHSXEESVSA-N -1 0 319.379 -0.050 20 0 DBADRM COC1CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001593949402 956363509 /nfs/dbraw/zinc/36/35/09/956363509.db2.gz IWKDDZOYMODMSO-UHFFFAOYSA-N -1 0 310.310 -0.456 20 0 DBADRM COC1CCC(NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001593949654 956364683 /nfs/dbraw/zinc/36/46/83/956364683.db2.gz SIXHBCJYMJGVBD-UHFFFAOYSA-N -1 0 324.337 -0.020 20 0 DBADRM NC(=O)[C@@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1ccc(F)cc1 ZINC001594636057 956373307 /nfs/dbraw/zinc/37/33/07/956373307.db2.gz AQOQFLCBARHILI-ZJUUUORDSA-N -1 0 309.253 -0.302 20 0 DBADRM NC(=O)[C@@H](F)C1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001594636361 956376310 /nfs/dbraw/zinc/37/63/10/956376310.db2.gz HAYPOQVETJSPDV-KOLCDFICSA-N -1 0 301.318 -0.793 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)OCc1cn(CC(=O)[O-])nn1 ZINC001593950847 956380855 /nfs/dbraw/zinc/38/08/55/956380855.db2.gz HJLDLLCQFBDJOD-MWLCHTKSSA-N -1 0 313.310 -0.153 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001594637095 956382334 /nfs/dbraw/zinc/38/23/34/956382334.db2.gz VIPXRRLTMKEAKW-GXSJLCMTSA-N -1 0 305.290 -0.571 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)c2ccc(OCC(=O)[O-])cc2)CCO1 ZINC001594638202 956390340 /nfs/dbraw/zinc/39/03/40/956390340.db2.gz DOCBOKSJVOCMLF-GFCCVEGCSA-N -1 0 322.317 -0.134 20 0 DBADRM CO[C@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])CC[C@@H]1C ZINC001593951435 956390657 /nfs/dbraw/zinc/39/06/57/956390657.db2.gz PPTLOCADXHEHBI-UWVGGRQHSA-N -1 0 302.327 -0.913 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)NCCCCC(=O)[O-] ZINC001593951643 956393177 /nfs/dbraw/zinc/39/31/77/956393177.db2.gz QGNWGAGDBMAGAE-GHMZBOCLSA-N -1 0 316.354 -0.380 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)O1 ZINC001594638306 956393201 /nfs/dbraw/zinc/39/32/01/956393201.db2.gz NDKKTIJDDMEQAM-DBIOUOCHSA-N -1 0 314.338 -0.595 20 0 DBADRM NC(=O)C[C@H]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC001594638549 956394479 /nfs/dbraw/zinc/39/44/79/956394479.db2.gz LYXJMGAIELLINQ-SNVBAGLBSA-N -1 0 313.354 -0.225 20 0 DBADRM C[C@@H](OC(=O)C1(CC(=O)[O-])CCOCC1)C(=O)NC(N)=O ZINC001589159412 956396155 /nfs/dbraw/zinc/39/61/55/956396155.db2.gz TYUXFCQTHJTYML-SSDOTTSWSA-N -1 0 302.283 -0.616 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593951898 956398221 /nfs/dbraw/zinc/39/82/21/956398221.db2.gz UYOFOYVWWCREFK-GARJFASQSA-N -1 0 322.383 -0.484 20 0 DBADRM NC(=O)[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001594639231 956401895 /nfs/dbraw/zinc/40/18/95/956401895.db2.gz TYBIIWZOPBDFOY-NWDGAFQWSA-N -1 0 317.301 -0.173 20 0 DBADRM NC(=O)CCn1ccc(NC(=O)C2(C(=O)[O-])CCOCC2)n1 ZINC001594639330 956403121 /nfs/dbraw/zinc/40/31/21/956403121.db2.gz HOYQDMIVABEQSZ-UHFFFAOYSA-N -1 0 310.310 -0.422 20 0 DBADRM NC(=O)CC1(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001594639291 956403535 /nfs/dbraw/zinc/40/35/35/956403535.db2.gz WIUMCJJRNBFGHW-SECBINFHSA-N -1 0 311.338 -0.919 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CC1 ZINC001594639490 956404219 /nfs/dbraw/zinc/40/42/19/956404219.db2.gz WVDSBTLQJLDXSD-ZJUUUORDSA-N -1 0 314.338 -0.905 20 0 DBADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])nc1)C(=O)N1CCNC1=O ZINC001589160728 956410519 /nfs/dbraw/zinc/41/05/19/956410519.db2.gz UIMHJCSWNKGVCA-ZETCQYMHSA-N -1 0 307.262 -0.123 20 0 DBADRM NC(=O)C1CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001594640415 956413956 /nfs/dbraw/zinc/41/39/56/956413956.db2.gz LFULAUTUEUNUKF-SNVBAGLBSA-N -1 0 311.338 -0.967 20 0 DBADRM C[C@H](OC(=O)c1ncccc1C(=O)[O-])C(=O)N1CCNC1=O ZINC001589161073 956415205 /nfs/dbraw/zinc/41/52/05/956415205.db2.gz QHDDLUVIQXVZIB-ZETCQYMHSA-N -1 0 307.262 -0.123 20 0 DBADRM NC(=O)CN1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1 ZINC001594640903 956419032 /nfs/dbraw/zinc/41/90/32/956419032.db2.gz CPIOHICYANSNGP-DUXPYHPUSA-N -1 0 307.306 -0.380 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001589162079 956421214 /nfs/dbraw/zinc/42/12/14/956421214.db2.gz KOMQBNZVVKMCIH-DCAQKATOSA-N -1 0 315.322 -0.201 20 0 DBADRM NC(=O)CN1CCC[C@@H](NC(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC001594641533 956424594 /nfs/dbraw/zinc/42/45/94/956424594.db2.gz RQZAHBGSRPOHMB-SNVBAGLBSA-N -1 0 306.322 -0.541 20 0 DBADRM NC(=O)N1CC[C@H](CNC(=O)C2(CC(=O)[O-])CCOCC2)C1 ZINC001594644309 956434059 /nfs/dbraw/zinc/43/40/59/956434059.db2.gz DVCJLBQWOANDIC-SNVBAGLBSA-N -1 0 313.354 -0.225 20 0 DBADRM NC(=O)Cn1cc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)ccc1=O ZINC001594644644 956434621 /nfs/dbraw/zinc/43/46/21/956434621.db2.gz ILMAOXFWUIHARS-XWEPSHTISA-N -1 0 308.294 -0.682 20 0 DBADRM NC(=O)N1CCC[C@@H](CNC(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001594644744 956434710 /nfs/dbraw/zinc/43/47/10/956434710.db2.gz KEBYZJABZBGEAD-QMMMGPOBSA-N -1 0 307.310 -0.305 20 0 DBADRM NC(=O)NC1(C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)CC1 ZINC001594647333 956441473 /nfs/dbraw/zinc/44/14/73/956441473.db2.gz FTICVPXNVQWQBH-UHFFFAOYSA-N -1 0 309.282 -0.749 20 0 DBADRM COC[C@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)[C@@H]1CCCO1 ZINC001593957329 956445225 /nfs/dbraw/zinc/44/52/25/956445225.db2.gz MLUNKARYFFQASL-RYUDHWBXSA-N -1 0 324.333 -0.143 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC(C)(C)OC)C1 ZINC001593958388 956461539 /nfs/dbraw/zinc/46/15/39/956461539.db2.gz ARLKMXVTQCHOPI-AWEZNQCLSA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@H]2CCCO2)C1 ZINC001593958522 956464570 /nfs/dbraw/zinc/46/45/70/956464570.db2.gz FTLUYBCDKHMGAK-YGRLFVJLSA-N -1 0 314.338 -0.769 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC001593959726 956474587 /nfs/dbraw/zinc/47/45/87/956474587.db2.gz CYNBIMATJJKMFG-GDLCADMTSA-N -1 0 300.355 -0.609 20 0 DBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1F ZINC001594651296 956476380 /nfs/dbraw/zinc/47/63/80/956476380.db2.gz YJDWQUFIDQUSGV-SNVBAGLBSA-N -1 0 323.280 -0.061 20 0 DBADRM COC[C@]1(C(=O)N2CC[C@@](COC)(C(=O)[O-])C2)CCOC1 ZINC001593960320 956481825 /nfs/dbraw/zinc/48/18/25/956481825.db2.gz UWPHMZWQTLGSMF-ZIAGYGMSSA-N -1 0 301.339 -0.011 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C2=CCS(=O)(=O)C2)C1 ZINC001593960252 956482004 /nfs/dbraw/zinc/48/20/04/956482004.db2.gz RRHZUMHATHHNBW-LBPRGKRZSA-N -1 0 303.336 -0.709 20 0 DBADRM NC(=O)c1ccccc1NC(=O)CN[C@]1(C(=O)[O-])CCOC1 ZINC001594652476 956482246 /nfs/dbraw/zinc/48/22/46/956482246.db2.gz WCZPRBNZLCBPHT-CQSZACIVSA-N -1 0 307.306 -0.443 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001594653762 956489752 /nfs/dbraw/zinc/48/97/52/956489752.db2.gz FCCZCJHKSJJYQP-VIFPVBQESA-N -1 0 314.323 -0.326 20 0 DBADRM C[C@H](c1ccccn1)N(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001589175364 956495225 /nfs/dbraw/zinc/49/52/25/956495225.db2.gz AJGOKDKXSCZSKP-PWSUYJOCSA-N -1 0 321.333 -0.087 20 0 DBADRM C[C@@H](c1ccccn1)N(C)C(=O)C(=O)NCCOCC(=O)[O-] ZINC001589175392 956496348 /nfs/dbraw/zinc/49/63/48/956496348.db2.gz BYALVJYYBSDMKB-JTQLQIEISA-N -1 0 309.322 -0.182 20 0 DBADRM C[C@H](c1ccncc1)N(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001589175781 956499199 /nfs/dbraw/zinc/49/91/99/956499199.db2.gz LBYCLQNRNIYAEU-PWSUYJOCSA-N -1 0 321.333 -0.087 20 0 DBADRM NS(=O)(=O)NC1CN(C(=O)C2(C(=O)[O-])CCCCC2)C1 ZINC001594655384 956504973 /nfs/dbraw/zinc/50/49/73/956504973.db2.gz YABHRKJGYIFUKD-UHFFFAOYSA-N -1 0 305.356 -0.975 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001594657246 956505611 /nfs/dbraw/zinc/50/56/11/956505611.db2.gz CDGSLWQJNYDOBH-UHFFFAOYSA-N -1 0 318.355 -0.245 20 0 DBADRM NS(=O)(=O)CCNC(=O)NCc1ccccc1C(=O)[O-] ZINC001594657519 956506871 /nfs/dbraw/zinc/50/68/71/956506871.db2.gz HHLIWUMEGCYSSI-UHFFFAOYSA-N -1 0 301.324 -0.528 20 0 DBADRM NS(=O)(=O)CCOCCNC(=O)c1cccc(C(=O)[O-])c1 ZINC001594657256 956507528 /nfs/dbraw/zinc/50/75/28/956507528.db2.gz CMDUSIZDRNLTPQ-UHFFFAOYSA-N -1 0 316.335 -0.580 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NC[C@H](C)S(C)(=O)=O)C1 ZINC001593963113 956510801 /nfs/dbraw/zinc/51/08/01/956510801.db2.gz GWUNGEVQZXNIDU-CABZTGNLSA-N -1 0 322.383 -0.448 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001594658046 956511675 /nfs/dbraw/zinc/51/16/75/956511675.db2.gz SPJGYZIRMROSIL-SSDOTTSWSA-N -1 0 314.323 -0.932 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCC[C@H]2CNC(=O)C2)C1 ZINC001593963154 956512449 /nfs/dbraw/zinc/51/24/49/956512449.db2.gz IRWOREHYRIWTJZ-QMTHXVAHSA-N -1 0 313.354 -0.355 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)nc1 ZINC001594660330 956528374 /nfs/dbraw/zinc/52/83/74/956528374.db2.gz DJBRYLUOTHZZAJ-SFYZADRCSA-N -1 0 313.335 -0.288 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)OCC(=O)C(=O)[O-])s1 ZINC001594660360 956528450 /nfs/dbraw/zinc/52/84/50/956528450.db2.gz GLMAOENJRUWPBR-UHFFFAOYSA-N -1 0 307.305 -0.865 20 0 DBADRM C[C@@H](c1nc(N)nc(Cl)n1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001589182064 956533051 /nfs/dbraw/zinc/53/30/51/956533051.db2.gz GHIATRROGZFSKN-LURJTMIESA-N -1 0 314.733 -0.603 20 0 DBADRM NS(=O)(=O)c1cn(CCOc2ccccc2C(=O)[O-])nn1 ZINC001594660735 956534422 /nfs/dbraw/zinc/53/44/22/956534422.db2.gz NFESBHRFATYPAJ-UHFFFAOYSA-N -1 0 312.307 -0.297 20 0 DBADRM CN1CCN(C(=O)CCCS(C)(=O)=O)C[C@@H](C(=O)[O-])C1 ZINC001598604940 1017333331 /nfs/dbraw/zinc/33/33/31/1017333331.db2.gz BPVXDANGXVFKQR-JTQLQIEISA-N -1 0 306.384 -0.714 20 0 DBADRM C[C@]1(C(=O)Nc2ncn(CC(=O)[O-])n2)CCCS1(=O)=O ZINC001589184504 956554275 /nfs/dbraw/zinc/55/42/75/956554275.db2.gz XPPHHKRAEFZPSL-SNVBAGLBSA-N -1 0 302.312 -0.732 20 0 DBADRM Nc1cc(S(N)(=O)=O)ccc1C(=O)OCCCC(=O)[O-] ZINC001594663726 956555610 /nfs/dbraw/zinc/55/56/10/956555610.db2.gz NZFDEJZGKUXGLW-UHFFFAOYSA-N -1 0 302.308 -0.062 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1c1nnnn1CCN1CCOCC1 ZINC001589186735 956559207 /nfs/dbraw/zinc/55/92/07/956559207.db2.gz BNUJVIWLXWNJLU-CYBMUJFWSA-N -1 0 310.358 -0.551 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](O)[C@H](F)C2)C1 ZINC001589187188 956564652 /nfs/dbraw/zinc/56/46/52/956564652.db2.gz MYKYAQOMCGMVSW-KKFJDGPESA-N -1 0 302.302 -0.759 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)C1 ZINC001589187302 956566399 /nfs/dbraw/zinc/56/63/99/956566399.db2.gz PQRGSTNTJZWGAX-PELKAZGASA-N -1 0 320.292 -0.462 20 0 DBADRM Nc1ncnc2c1ncn2CCNC(=O)C1(C(=O)[O-])CC=CC1 ZINC001594665117 956567260 /nfs/dbraw/zinc/56/72/60/956567260.db2.gz RBHGNYCDRFFDCS-UHFFFAOYSA-N -1 0 316.321 -0.054 20 0 DBADRM Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)CC2 ZINC001594665247 956568068 /nfs/dbraw/zinc/56/80/68/956568068.db2.gz VTXBWODTDKTUKT-YLWLKBPMSA-N -1 0 310.335 -0.072 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@]3(CCOC3)C2)C1 ZINC001589187424 956568510 /nfs/dbraw/zinc/56/85/10/956568510.db2.gz RUTJFLDKHZIWJC-GJZGRUSLSA-N -1 0 310.350 -0.051 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCO[C@H]2CCOC2)C1 ZINC001589187744 956571335 /nfs/dbraw/zinc/57/13/35/956571335.db2.gz HHWDVPKYAJMEFZ-IINYFYTJSA-N -1 0 314.338 -0.769 20 0 DBADRM Nc1ccc(S(=O)(=O)NCCOCCOCC(=O)[O-])cc1 ZINC001594665777 956572761 /nfs/dbraw/zinc/57/27/61/956572761.db2.gz MOTBILYZSRZFHR-UHFFFAOYSA-N -1 0 318.351 -0.335 20 0 DBADRM Nc1n[nH]c(C2CCN(C(=O)C3(C(=O)[O-])CCOCC3)CC2)n1 ZINC001594667479 956590709 /nfs/dbraw/zinc/59/07/09/956590709.db2.gz IZGGFBKQCAVNCH-UHFFFAOYSA-N -1 0 323.353 -0.026 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@@H]1CCCCS1(=O)=O)C2 ZINC001594667701 956593539 /nfs/dbraw/zinc/59/35/39/956593539.db2.gz LSOCLFDSENJLDL-GBIKHYSHSA-N -1 0 317.363 -0.487 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C(C)(C)NC(=O)OC)CCO1 ZINC001593969727 956595526 /nfs/dbraw/zinc/59/55/26/956595526.db2.gz COQRHKBPROFSLV-CYBMUJFWSA-N -1 0 318.326 -0.550 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2nnnn2[C@@H]2COC[C@@H]2C)C1 ZINC001593969924 956597764 /nfs/dbraw/zinc/59/77/64/956597764.db2.gz IEKITEWVZDPQPM-CWSCBRNRSA-N -1 0 311.342 -0.192 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCCCC(=O)OC)CCO1 ZINC001593970089 956600449 /nfs/dbraw/zinc/60/04/49/956600449.db2.gz BNYKHZGWGOGSIN-CYBMUJFWSA-N -1 0 318.326 -0.549 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NC[C@@H]2CCCOC2)CCO1 ZINC001593970342 956603997 /nfs/dbraw/zinc/60/39/97/956603997.db2.gz GUROFBVKBMHXOQ-FZMZJTMJSA-N -1 0 316.354 -0.075 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NC[C@H]2CCCOC2)CCO1 ZINC001593970343 956605018 /nfs/dbraw/zinc/60/50/18/956605018.db2.gz GUROFBVKBMHXOQ-RISCZKNCSA-N -1 0 316.354 -0.075 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=S)NCCNS(C)(=O)=O)CC1 ZINC001589196431 956612820 /nfs/dbraw/zinc/61/28/20/956612820.db2.gz IZLITOGNCSWVQN-UHFFFAOYSA-N -1 0 323.440 -0.403 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CCc2ccncn2)CCO1 ZINC001593972811 956636208 /nfs/dbraw/zinc/63/62/08/956636208.db2.gz ICKPTCLSUSMWJH-CQSZACIVSA-N -1 0 309.322 -0.262 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CCO1 ZINC001593973976 956647806 /nfs/dbraw/zinc/64/78/06/956647806.db2.gz ONRPBMORLQYTMC-BMIGLBTASA-N -1 0 323.349 -0.157 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@]2(OC)CCSC2)CCO1 ZINC001593974420 956651467 /nfs/dbraw/zinc/65/14/67/956651467.db2.gz QFBCNQUSTRNZMT-OLZOCXBDSA-N -1 0 319.379 -0.163 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@]2(OC)CCSC2)CCO1 ZINC001593974419 956651742 /nfs/dbraw/zinc/65/17/42/956651742.db2.gz QFBCNQUSTRNZMT-CHWSQXEVSA-N -1 0 319.379 -0.163 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CCO1 ZINC001593974455 956651805 /nfs/dbraw/zinc/65/18/05/956651805.db2.gz QJDJFNYBHBIZRW-SMDDNHRTSA-N -1 0 318.345 -0.251 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@]2(C)CCC(=O)NC2)CCO1 ZINC001593974413 956652058 /nfs/dbraw/zinc/65/20/58/956652058.db2.gz LSLMKTLACHVAJP-ZIAGYGMSSA-N -1 0 314.338 -0.769 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CCc2nccn2C)CCO1 ZINC001593974737 956653861 /nfs/dbraw/zinc/65/38/61/956653861.db2.gz OKUGEPLNBBSXSR-CQSZACIVSA-N -1 0 311.338 -0.319 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H]2CCc3nncn3C2)CCO1 ZINC001593974632 956653877 /nfs/dbraw/zinc/65/38/77/956653877.db2.gz RJLCMGDJBUZAHP-HZMBPMFUSA-N -1 0 324.337 -0.831 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H](C)[C@@H]2CCC(=O)N2)CCO1 ZINC001593976065 956664862 /nfs/dbraw/zinc/66/48/62/956664862.db2.gz UMXOVGZDURSQHG-BHDSKKPTSA-N -1 0 314.338 -0.770 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2nnc([C@H]3CNC(=O)C3)n2C)C1 ZINC001593976141 956666168 /nfs/dbraw/zinc/66/61/68/956666168.db2.gz VELZWCIPGMPNNO-YMTOWFKASA-N -1 0 323.353 -0.654 20 0 DBADRM O=C(C[C@H]1CCCS(=O)(=O)C1)N[C@]1(C(=O)[O-])CCOC1 ZINC001594677157 956668998 /nfs/dbraw/zinc/66/89/98/956668998.db2.gz HVPNCTBQIPROPR-BXKDBHETSA-N -1 0 305.352 -0.439 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@@H]2CCO[C@@H]21 ZINC001589206731 956670623 /nfs/dbraw/zinc/67/06/23/956670623.db2.gz KGJUHBHRCIVKKX-MFDAYCCISA-N -1 0 310.350 -0.105 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)CC1(n2cnnn2)CCOCC1 ZINC001594678288 956676591 /nfs/dbraw/zinc/67/65/91/956676591.db2.gz KYOULSHBCAPEAU-UHFFFAOYSA-N -1 0 321.297 -0.371 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCc2ccn(C)n2)CCO1 ZINC001593977489 956678637 /nfs/dbraw/zinc/67/86/37/956678637.db2.gz BKWYJKZJSZGYIC-CYBMUJFWSA-N -1 0 312.326 -0.568 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)Nc2nnn(C)c2C)CCO1 ZINC001593978066 956683270 /nfs/dbraw/zinc/68/32/70/956683270.db2.gz PKEOPFPSWFTJOC-GFCCVEGCSA-N -1 0 313.314 -0.543 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001589210878 956684918 /nfs/dbraw/zinc/68/49/18/956684918.db2.gz DLQQZAGIJJTHCO-KBPBESRZSA-N -1 0 309.322 -0.312 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC001589210879 956685501 /nfs/dbraw/zinc/68/55/01/956685501.db2.gz DLQQZAGIJJTHCO-KGLIPLIRSA-N -1 0 309.322 -0.312 20 0 DBADRM CC1(C)C[C@@H](NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001589211512 956693086 /nfs/dbraw/zinc/69/30/86/956693086.db2.gz LCCXKZSONHLTBF-VIFPVBQESA-N -1 0 324.337 -0.020 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NOCCSC)CCO1 ZINC001593979335 956698222 /nfs/dbraw/zinc/69/82/22/956698222.db2.gz WGYWTJAFSJXOSP-NSHDSACASA-N -1 0 308.356 -0.207 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001589212419 956703063 /nfs/dbraw/zinc/70/30/63/956703063.db2.gz PVXFCPWDVSEQLA-ZNMIVQPWSA-N -1 0 308.334 -0.002 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001589212417 956703435 /nfs/dbraw/zinc/70/34/35/956703435.db2.gz PVXFCPWDVSEQLA-SOUVJXGZSA-N -1 0 308.334 -0.002 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2ccc(C(N)=O)nc2)CCO1 ZINC001593981054 956713375 /nfs/dbraw/zinc/71/33/75/956713375.db2.gz WTHJDBBDBUEXNO-AWEZNQCLSA-N -1 0 323.305 -0.877 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC001589213348 956714126 /nfs/dbraw/zinc/71/41/26/956714126.db2.gz ZBKUSUIXKUHRMB-QPUJVOFHSA-N -1 0 304.368 -0.233 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cncc(C=O)c2)CCO1 ZINC001593981531 956715805 /nfs/dbraw/zinc/71/58/05/956715805.db2.gz BPJQYUCIYNNOTE-AWEZNQCLSA-N -1 0 308.290 -0.164 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001589217046 956730006 /nfs/dbraw/zinc/73/00/06/956730006.db2.gz DAMSBMHDXQFQAM-NWDGAFQWSA-N -1 0 305.352 -0.847 20 0 DBADRM COC[C@]1(C(=O)OC)CCCCN1C(=O)[C@H](OC)C(=O)[O-] ZINC001593983651 956735701 /nfs/dbraw/zinc/73/57/01/956735701.db2.gz AKDSWMKDCPXVCM-ZANVPECISA-N -1 0 303.311 -0.343 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cnc3nccn3c2)CCO1 ZINC001593984263 956745366 /nfs/dbraw/zinc/74/53/66/956745366.db2.gz VWGBCKUJTVZOOU-AWEZNQCLSA-N -1 0 320.305 -0.329 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)N2CCCCC2)CCO1 ZINC001593984229 956745680 /nfs/dbraw/zinc/74/56/80/956745680.db2.gz OPJPJVGQEMPSKE-GFCCVEGCSA-N -1 0 322.383 -0.481 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2ccnc3n[nH]nc32)CCO1 ZINC001593984463 956749618 /nfs/dbraw/zinc/74/96/18/956749618.db2.gz XXKZQQRJJAFIOV-CYBMUJFWSA-N -1 0 321.293 -0.705 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1C(=O)CNC1=O)c1ccc(F)cc1 ZINC001594691502 956752626 /nfs/dbraw/zinc/75/26/26/956752626.db2.gz MSMAYABJTQEJST-NSHDSACASA-N -1 0 309.253 -0.381 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NCC(=O)NCC2CC2)c1 ZINC001594694791 956765613 /nfs/dbraw/zinc/76/56/13/956765613.db2.gz WFUIBPVSICOOFI-UHFFFAOYSA-N -1 0 320.305 -0.639 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CC(=O)N[C@@H](C)C(C)C)CCO1 ZINC001593985380 956766610 /nfs/dbraw/zinc/76/66/10/956766610.db2.gz GCTZJPJBVZTXJE-SMDDNHRTSA-N -1 0 302.371 -0.051 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2CCC(F)F)CCO1 ZINC001593985576 956770864 /nfs/dbraw/zinc/77/08/64/956770864.db2.gz SUGILGZPBFMIQK-NSHDSACASA-N -1 0 321.284 -0.365 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2nnnn2CCC(F)F)CCO1 ZINC001593985575 956771000 /nfs/dbraw/zinc/77/10/00/956771000.db2.gz SUGILGZPBFMIQK-LLVKDONJSA-N -1 0 321.284 -0.365 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1nccs1 ZINC001594696327 956773194 /nfs/dbraw/zinc/77/31/94/956773194.db2.gz PHYBADFINYEPNI-ZETCQYMHSA-N -1 0 319.364 -0.735 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCOCC1=O)c1ccc(F)cc1 ZINC001594696337 956774405 /nfs/dbraw/zinc/77/44/05/956774405.db2.gz QMIGABRIDHHPPV-CYBMUJFWSA-N -1 0 310.281 -0.074 20 0 DBADRM O=C([O-])[C@]1(NCC(=O)NC(=O)NCC(F)(F)F)CCOC1 ZINC001594697092 956779590 /nfs/dbraw/zinc/77/95/90/956779590.db2.gz QRDTXNDTZWKLKL-VIFPVBQESA-N -1 0 313.232 -0.792 20 0 DBADRM COC[C@]1(C(=O)OC)CCCN1C(=O)[C@@](C)(OC)C(=O)[O-] ZINC001593985966 956779965 /nfs/dbraw/zinc/77/99/65/956779965.db2.gz XREDHGMJIZJQEL-OLZOCXBDSA-N -1 0 303.311 -0.343 20 0 DBADRM CC1(C)CC[C@@H](Cn2nnnc2N2CCO[C@H](C(=O)[O-])C2)O1 ZINC001589223970 956780879 /nfs/dbraw/zinc/78/08/79/956780879.db2.gz DXHKGRWDBRPUFP-UWVGGRQHSA-N -1 0 311.342 -0.080 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CC(=O)NC[C@H]2CCCO2)CCO1 ZINC001593986061 956781372 /nfs/dbraw/zinc/78/13/72/956781372.db2.gz MXNAUUSTUDYJON-RISCZKNCSA-N -1 0 316.354 -0.916 20 0 DBADRM CN1CC(=O)N(CC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])C1=O ZINC000389241973 972213836 /nfs/dbraw/zinc/21/38/36/972213836.db2.gz DLCMCSUDRQHLRX-YGOYTEALSA-N -1 0 309.322 -0.408 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@H]2CN(C3CC3)C(=O)O2)CCO1 ZINC001593986466 956791905 /nfs/dbraw/zinc/79/19/05/956791905.db2.gz XLHILSSUJBHUJI-FZMZJTMJSA-N -1 0 314.338 -0.228 20 0 DBADRM O=C([O-])C1(C(=O)OCC(=O)NCC(=O)N2CCCC2)CC=CC1 ZINC001594698970 956800777 /nfs/dbraw/zinc/80/07/77/956800777.db2.gz PXXBSSSGKXLHIU-UHFFFAOYSA-N -1 0 324.333 -0.311 20 0 DBADRM COCC1(C)CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001593986974 956800836 /nfs/dbraw/zinc/80/08/36/956800836.db2.gz XZCHJCUTSKSJHN-UHFFFAOYSA-N -1 0 310.310 -0.599 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N(C)CCC(=O)[O-])C[C@H](C)O1 ZINC001593989304 956815761 /nfs/dbraw/zinc/81/57/61/956815761.db2.gz GWVXIGZUVLUDAL-UWVGGRQHSA-N -1 0 302.327 -0.818 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N(C)CCC(=O)[O-])C[C@H](C)O1 ZINC001593989305 956816909 /nfs/dbraw/zinc/81/69/09/956816909.db2.gz GWVXIGZUVLUDAL-VHSXEESVSA-N -1 0 302.327 -0.818 20 0 DBADRM COC[C@@H]1COCCN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001593989815 956825705 /nfs/dbraw/zinc/82/57/05/956825705.db2.gz GRFZMXOLIGZHRI-SNVBAGLBSA-N -1 0 316.354 -0.523 20 0 DBADRM CC1(C)COC[C@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589234775 956844025 /nfs/dbraw/zinc/84/40/25/956844025.db2.gz ZINKLYHQPOTGRC-MRVPVSSYSA-N -1 0 310.310 -0.553 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CNC(=O)Cc2ccc(O)cc2)C1 ZINC001594707869 956853207 /nfs/dbraw/zinc/85/32/07/956853207.db2.gz PYIBJOCIWRGUDS-NSHDSACASA-N -1 0 306.318 -0.016 20 0 DBADRM COCCCCNC(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001593993394 956859167 /nfs/dbraw/zinc/85/91/67/956859167.db2.gz GUINSQZDIOMNLD-CYBMUJFWSA-N -1 0 304.343 -0.075 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)NCCSCC(=O)[O-])CC1 ZINC000389379948 972221713 /nfs/dbraw/zinc/22/17/13/972221713.db2.gz CCAVZHUNFCHHFU-UHFFFAOYSA-N -1 0 324.424 -0.408 20 0 DBADRM COCCCNC(=O)C1CCN(C(=O)[C@@H](OC)C(=O)[O-])CC1 ZINC001593994666 956869130 /nfs/dbraw/zinc/86/91/30/956869130.db2.gz QMMXOGIZRYTKRX-LLVKDONJSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCCS(=O)(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593994711 956869897 /nfs/dbraw/zinc/86/98/97/956869897.db2.gz CWMKFTBXZREGTF-JTQLQIEISA-N -1 0 322.383 -0.592 20 0 DBADRM C[C@]1(CCCC(=O)N2CCO[C@@H](C(=O)[O-])C2)NC(=O)NC1=O ZINC001589239913 956871022 /nfs/dbraw/zinc/87/10/22/956871022.db2.gz UUCDRBQAHGJMCL-AMIZOPFISA-N -1 0 313.310 -0.933 20 0 DBADRM C[C@]1(CC(=O)N(CC(=O)[O-])CC2CC2)CCS(=O)(=O)N1 ZINC001589239931 956871409 /nfs/dbraw/zinc/87/14/09/956871409.db2.gz MPTIWAQULDNGTJ-GFCCVEGCSA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@]1(CC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCS(=O)(=O)N1 ZINC001589240195 956875448 /nfs/dbraw/zinc/87/54/48/956875448.db2.gz YANLGVSXCHLSEU-VDDIYKPWSA-N -1 0 304.368 -0.172 20 0 DBADRM C[C@@]1(CC(=O)NC2(C(=O)[O-])CCOCC2)CCS(=O)(=O)N1 ZINC001589240365 956878553 /nfs/dbraw/zinc/87/85/53/956878553.db2.gz RPZILIFFWMFPLQ-NSHDSACASA-N -1 0 320.367 -0.792 20 0 DBADRM C[C@]1(CC(=O)NC2(CC(=O)[O-])CCC2)CCS(=O)(=O)N1 ZINC001589240341 956879122 /nfs/dbraw/zinc/87/91/22/956879122.db2.gz RBRIBOLARDAKOZ-LLVKDONJSA-N -1 0 304.368 -0.028 20 0 DBADRM CC1(CNC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)COC1 ZINC001589241360 956889861 /nfs/dbraw/zinc/88/98/61/956889861.db2.gz JDMIKUPFWOTBCL-UHFFFAOYSA-N -1 0 314.338 -0.863 20 0 DBADRM C[C@@]1(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCCO1 ZINC001589244932 956901675 /nfs/dbraw/zinc/90/16/75/956901675.db2.gz OQNSEFWREFOMSV-LBPRGKRZSA-N -1 0 319.379 -0.049 20 0 DBADRM C[C@@]1(CNC(=O)NCCOCCOCC(=O)[O-])CCC(=O)N1 ZINC001589244998 956903567 /nfs/dbraw/zinc/90/35/67/956903567.db2.gz QOEOYCXZNALSIY-ZDUSSCGKSA-N -1 0 317.342 -0.928 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001593998756 956912049 /nfs/dbraw/zinc/91/20/49/956912049.db2.gz HEGQNQAKESSGMN-SNVBAGLBSA-N -1 0 312.326 -0.512 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccnc(N2CCOCC2)n1 ZINC001593998744 956912511 /nfs/dbraw/zinc/91/25/11/956912511.db2.gz FMKSTNOHAZEXFV-UHFFFAOYSA-N -1 0 324.337 -0.514 20 0 DBADRM C[C@]1(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001589246595 956930789 /nfs/dbraw/zinc/93/07/89/956930789.db2.gz RAQZTUHNTYUWQZ-KWBADKCTSA-N -1 0 319.379 -0.050 20 0 DBADRM COCCn1nc(C(=O)NCCSCC(=O)[O-])ccc1=O ZINC000389462212 972227158 /nfs/dbraw/zinc/22/71/58/972227158.db2.gz GUKJNULSEVTDCR-UHFFFAOYSA-N -1 0 315.351 -0.563 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@@H](F)C1 ZINC001594001475 956933236 /nfs/dbraw/zinc/93/32/36/956933236.db2.gz RTYUHWXGCLJKDP-SNVBAGLBSA-N -1 0 304.318 -0.103 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)Cc1noc(C2CC2)n1 ZINC001594001712 956933377 /nfs/dbraw/zinc/93/33/77/956933377.db2.gz CTTWGTXEVUNRBY-UHFFFAOYSA-N -1 0 319.339 -0.190 20 0 DBADRM C[C@@]1(NC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CCOC1=O ZINC001589246944 956936622 /nfs/dbraw/zinc/93/66/22/956936622.db2.gz ZWFDPQXXBCDXTH-CYBMUJFWSA-N -1 0 307.262 -0.460 20 0 DBADRM COCCN(CC(=O)[O-])Cc1nccn1S(=O)(=O)N(C)C ZINC001594001994 956937534 /nfs/dbraw/zinc/93/75/34/956937534.db2.gz XRTKVZUZGRSHLH-UHFFFAOYSA-N -1 0 320.371 -0.929 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)COCc1nncn1C ZINC001594004567 956949970 /nfs/dbraw/zinc/94/99/70/956949970.db2.gz QCEBVKKDQHNZAK-UHFFFAOYSA-N -1 0 300.315 -0.719 20 0 DBADRM C[C@@]1(O)CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001589249970 956957059 /nfs/dbraw/zinc/95/70/59/956957059.db2.gz QSDAFBZNARDGDL-CQSZACIVSA-N -1 0 324.337 -0.330 20 0 DBADRM C[C@]1(O)CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001589249969 956957079 /nfs/dbraw/zinc/95/70/79/956957079.db2.gz QSDAFBZNARDGDL-AWEZNQCLSA-N -1 0 324.337 -0.330 20 0 DBADRM O=C([O-])C1(NC(=O)c2ccc3n[nH]c(=O)n3c2)CCOCC1 ZINC001594723318 956978724 /nfs/dbraw/zinc/97/87/24/956978724.db2.gz UARDQCDKLLDXNI-UHFFFAOYSA-N -1 0 306.278 -0.202 20 0 DBADRM CNC(=O)CN(C)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000013211592 956981849 /nfs/dbraw/zinc/98/18/49/956981849.db2.gz BSZGEUXWNBHENU-UHFFFAOYSA-N -1 0 324.293 -0.409 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2cc(N3CCOCC3)ncn2)CCOC1 ZINC001594724386 956987662 /nfs/dbraw/zinc/98/76/62/956987662.db2.gz RGWBDTZFLBWYOK-CQSZACIVSA-N -1 0 322.321 -0.713 20 0 DBADRM CC1=C(C(=O)Nc2ccn(CC(=O)[O-])n2)Cn2nnnc2N1C ZINC001589256131 956989783 /nfs/dbraw/zinc/98/97/83/956989783.db2.gz HVEMSAHIMHYCGF-UHFFFAOYSA-N -1 0 318.297 -0.683 20 0 DBADRM CC1=C(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])SCCO1 ZINC001589256799 957003047 /nfs/dbraw/zinc/00/30/47/957003047.db2.gz WQUMFEPBAQLBFV-MRVPVSSYSA-N -1 0 321.376 -0.309 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(CC3CC3)C2)C1 ZINC001594726317 957007973 /nfs/dbraw/zinc/00/79/73/957007973.db2.gz LMMGMQMXQDTDAA-MNOVXSKESA-N -1 0 323.349 -0.953 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(CC3CC3)C2)C1 ZINC001594726318 957008220 /nfs/dbraw/zinc/00/82/20/957008220.db2.gz LMMGMQMXQDTDAA-QWRGUYRKSA-N -1 0 323.349 -0.953 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589259061 957024052 /nfs/dbraw/zinc/02/40/52/957024052.db2.gz NPNAYNMCDCECJI-SECBINFHSA-N -1 0 307.306 -0.764 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001589260156 957031506 /nfs/dbraw/zinc/03/15/06/957031506.db2.gz YJYYWKHAKROXSS-VIFPVBQESA-N -1 0 319.383 -0.810 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC001594730128 957032441 /nfs/dbraw/zinc/03/24/41/957032441.db2.gz TYWHAWFNZCORQY-SFJPCSRHSA-N -1 0 310.350 -0.271 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)cn1 ZINC001594016268 957040770 /nfs/dbraw/zinc/04/07/70/957040770.db2.gz WWBMOAGAHRMSJK-OTYXRUKQSA-N -1 0 324.337 -0.305 20 0 DBADRM COCCOC[C@@H]1CC[N@@H+]([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001594017301 957042632 /nfs/dbraw/zinc/04/26/32/957042632.db2.gz FISACDJRFWUWMJ-VXGBXAGGSA-N -1 0 300.355 -0.343 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001594017439 957044209 /nfs/dbraw/zinc/04/42/09/957044209.db2.gz MEXZNUYUYKTMRL-ZDUSSCGKSA-N -1 0 302.327 -0.911 20 0 DBADRM COCCOCCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001594017677 957045995 /nfs/dbraw/zinc/04/59/95/957045995.db2.gz UULMBVFSGATKQA-SNVBAGLBSA-N -1 0 302.327 -0.911 20 0 DBADRM COCCOCCN(C)C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001594017713 957046921 /nfs/dbraw/zinc/04/69/21/957046921.db2.gz WRBIYLGYGPFKSV-UHFFFAOYSA-N -1 0 316.354 -0.569 20 0 DBADRM C[C@@H]1[C@H](CO)CCCN1C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589262594 957048246 /nfs/dbraw/zinc/04/82/46/957048246.db2.gz PRPQKDMZQAHJME-WOPDTQHZSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001589262718 957050900 /nfs/dbraw/zinc/05/09/00/957050900.db2.gz SMGFJUWNSSTGON-SMPFOWEGSA-N -1 0 300.340 -0.656 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589262805 957052581 /nfs/dbraw/zinc/05/25/81/957052581.db2.gz AAPBKUGLGQGSHD-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM COCCOC1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001594018321 957053174 /nfs/dbraw/zinc/05/31/74/957053174.db2.gz RAALZTQXSZVEPB-LLVKDONJSA-N -1 0 300.311 -0.130 20 0 DBADRM COCCOC[C@@H](C)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001594018605 957058084 /nfs/dbraw/zinc/05/80/84/957058084.db2.gz USWKTOKEEWJKAK-ZJUUUORDSA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCN1C ZINC001589263161 957061225 /nfs/dbraw/zinc/06/12/25/957061225.db2.gz YAFTZFZUNPRVFH-ZJUUUORDSA-N -1 0 323.353 -0.543 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001589263322 957064314 /nfs/dbraw/zinc/06/43/14/957064314.db2.gz JGKHXRYGCBPGPA-SECBINFHSA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001589263529 957067644 /nfs/dbraw/zinc/06/76/44/957067644.db2.gz QLQVUBPSSSJDPI-JTQLQIEISA-N -1 0 313.354 -0.212 20 0 DBADRM COCCO[C@H]1C[C@@H](CO)CN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C1 ZINC001594019212 957069606 /nfs/dbraw/zinc/06/96/06/957069606.db2.gz VBJWEMTVVVAJRF-FJJYHAOUSA-N -1 0 315.366 -0.030 20 0 DBADRM COCCS(=O)(=O)CC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001594021487 957081776 /nfs/dbraw/zinc/08/17/76/957081776.db2.gz BADYXBATBQACQO-UHFFFAOYSA-N -1 0 302.308 -0.221 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N(CCO)C1CCC1)C1CCC1 ZINC001594737273 957083505 /nfs/dbraw/zinc/08/35/05/957083505.db2.gz QMFRLUMEPRWIEU-LBPRGKRZSA-N -1 0 312.366 -0.023 20 0 DBADRM Cn1nc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c2ccccc2c1=O ZINC000014162519 957097189 /nfs/dbraw/zinc/09/71/89/957097189.db2.gz UEDACSJJHNCZLT-LDYMZIIASA-N -1 0 317.301 -0.407 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CSc1nnnn1C1CC1 ZINC000036976102 957254290 /nfs/dbraw/zinc/25/42/90/957254290.db2.gz QJAGBABJHZFJFI-SFYZADRCSA-N -1 0 313.339 -0.854 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000037226204 957266844 /nfs/dbraw/zinc/26/68/44/957266844.db2.gz QNVKYFYQGBMDEG-VIFPVBQESA-N -1 0 317.319 -0.495 20 0 DBADRM C[C@H](NC(=O)c1cccs1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000037449407 957292225 /nfs/dbraw/zinc/29/22/25/957292225.db2.gz PVBZQTBTGNFSBL-DJLDLDEBSA-N -1 0 312.347 -0.087 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CCNC(=O)c1ccsc1 ZINC000037450011 957293363 /nfs/dbraw/zinc/29/33/63/957293363.db2.gz ZREOPCVHAGRBKD-ZJUUUORDSA-N -1 0 312.347 -0.086 20 0 DBADRM CCOC(=O)C[C@@H]1CCCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC001325715749 957311731 /nfs/dbraw/zinc/31/17/31/957311731.db2.gz DVENTZXMXLGBPS-JTQLQIEISA-N -1 0 314.338 -0.136 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@H]2CCCCNC2=O)CC1 ZINC000037657014 957319172 /nfs/dbraw/zinc/31/91/72/957319172.db2.gz COUAHAJGQPIHCC-JTQLQIEISA-N -1 0 319.383 -0.714 20 0 DBADRM COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037732173 957323868 /nfs/dbraw/zinc/32/38/68/957323868.db2.gz PWGFTELELJUMFO-QMMMGPOBSA-N -1 0 319.339 -0.026 20 0 DBADRM CCCN(CC(=O)OC)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037837295 957333070 /nfs/dbraw/zinc/33/30/70/957333070.db2.gz OEWDEJUVFRALRD-UHFFFAOYSA-N -1 0 305.312 -0.318 20 0 DBADRM CC(C)CN(CC(N)=O)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037838014 957334135 /nfs/dbraw/zinc/33/41/35/957334135.db2.gz IPCYYBQHGXVOFG-UHFFFAOYSA-N -1 0 321.399 -0.529 20 0 DBADRM CCCN(CC(=O)NC)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000038100409 957356519 /nfs/dbraw/zinc/35/65/19/957356519.db2.gz GQTLIUVNUCSJQN-UHFFFAOYSA-N -1 0 304.328 -0.745 20 0 DBADRM CN(C)C(=O)CCCNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000390179137 972268200 /nfs/dbraw/zinc/26/82/00/972268200.db2.gz BTBCWSNKPNPXQS-UHFFFAOYSA-N -1 0 321.380 -0.012 20 0 DBADRM COCC[C@H](NC(=O)[C@H]1CC(=O)N(CCOC)C1)C(=O)[O-] ZINC000052784688 957511775 /nfs/dbraw/zinc/51/17/75/957511775.db2.gz NOJKLWFXIAEINS-UWVGGRQHSA-N -1 0 302.327 -0.913 20 0 DBADRM COCC[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000052784640 957511875 /nfs/dbraw/zinc/51/18/75/957511875.db2.gz QCYRYXVRKJQUFZ-JTQLQIEISA-N -1 0 322.383 -0.736 20 0 DBADRM CCN(C(C)(C)C(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000061170967 957575340 /nfs/dbraw/zinc/57/53/40/957575340.db2.gz MIGKGGFXSSHIGU-UHFFFAOYSA-N -1 0 317.367 -0.002 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000390386647 972280505 /nfs/dbraw/zinc/28/05/05/972280505.db2.gz ZSGDTQXHRXVUKT-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM CC(=O)N[C@@H](CSCC(=O)NC(=O)NCC(C)C)C(=O)[O-] ZINC000069555210 957652449 /nfs/dbraw/zinc/65/24/49/957652449.db2.gz ZCMUNICKXUQULN-VIFPVBQESA-N -1 0 319.383 -0.209 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)c1ccoc1CC(=O)[O-] ZINC000390400779 972281856 /nfs/dbraw/zinc/28/18/56/972281856.db2.gz TYYSOTMYQGIXRJ-UHFFFAOYSA-N -1 0 304.324 -0.424 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC(c3nnc[nH]3)CC2)nn1 ZINC001574738320 957676056 /nfs/dbraw/zinc/67/60/56/957676056.db2.gz QDGVFLHNJUEASF-UHFFFAOYSA-N -1 0 305.298 -0.499 20 0 DBADRM Cc1cc(=O)n2nc(CN[C@@]3(C(=O)[O-])CCOC3)sc2n1 ZINC001594271351 957677500 /nfs/dbraw/zinc/67/75/00/957677500.db2.gz IVJJAGHLALBGNA-LBPRGKRZSA-N -1 0 310.335 -0.207 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC3(CNC(=O)C3)CC2)nn1 ZINC001574738803 957682982 /nfs/dbraw/zinc/68/29/82/957682982.db2.gz XVJXREKLKOXTGM-UHFFFAOYSA-N -1 0 307.310 -0.895 20 0 DBADRM COCCc1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])n(C)n1 ZINC001594024222 957693701 /nfs/dbraw/zinc/69/37/01/957693701.db2.gz QZXYTRDQXAPISV-SNVBAGLBSA-N -1 0 324.337 -0.377 20 0 DBADRM COCCn1cc(N2C[C@H](C(=O)NCC(=O)[O-])CC2=O)cn1 ZINC001594025154 957708372 /nfs/dbraw/zinc/70/83/72/957708372.db2.gz IXGWYFHQSANFAA-SECBINFHSA-N -1 0 310.310 -0.917 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000071271670 957715974 /nfs/dbraw/zinc/71/59/74/957715974.db2.gz WBJNVMJWQXOFSX-LLVKDONJSA-N -1 0 303.336 -0.189 20 0 DBADRM COC[C@H](O)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001594025923 957721678 /nfs/dbraw/zinc/72/16/78/957721678.db2.gz LUGIHIXXAUZJMA-LLVKDONJSA-N -1 0 310.306 -0.624 20 0 DBADRM Cc1cc(C(=O)NC2(C(=O)[O-])CCOCC2)ncc1C(N)=O ZINC001594279800 957734229 /nfs/dbraw/zinc/73/42/29/957734229.db2.gz ROZUYQBPTOUXCT-UHFFFAOYSA-N -1 0 307.306 -0.147 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000075241193 957740548 /nfs/dbraw/zinc/74/05/48/957740548.db2.gz IOXJZGLVSUSCHO-PELKAZGASA-N -1 0 320.301 -0.377 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC001574764564 957745852 /nfs/dbraw/zinc/74/58/52/957745852.db2.gz VHZMZLXSUKXSLZ-DBIOUOCHSA-N -1 0 317.363 -0.488 20 0 DBADRM COCc1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC001594029488 957748870 /nfs/dbraw/zinc/74/88/70/957748870.db2.gz ODUKLHLLNMMUES-LBPRGKRZSA-N -1 0 303.336 -0.053 20 0 DBADRM COCc1noc(CN2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)n1 ZINC001594031308 957760871 /nfs/dbraw/zinc/76/08/71/957760871.db2.gz OLRQRXMBSJGOHA-UHFFFAOYSA-N -1 0 324.337 -0.275 20 0 DBADRM CON(C(=O)CCC[C@]1(C)NC(=O)NC1=O)[C@H](C)C(=O)[O-] ZINC001594035979 957813089 /nfs/dbraw/zinc/81/30/89/957813089.db2.gz ORTRLLSRQYVCDC-KRTXAFLBSA-N -1 0 301.299 -0.382 20 0 DBADRM CON(C(=O)CCC[C@@]1(C)NC(=O)NC1=O)[C@H](C)C(=O)[O-] ZINC001594035977 957813227 /nfs/dbraw/zinc/81/32/27/957813227.db2.gz ORTRLLSRQYVCDC-JMCQJSRRSA-N -1 0 301.299 -0.382 20 0 DBADRM CON(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[C@@H](C)C(=O)[O-] ZINC001594037255 957824960 /nfs/dbraw/zinc/82/49/60/957824960.db2.gz OEGMSVXECUYLAP-TUAOUCFPSA-N -1 0 316.354 -0.271 20 0 DBADRM CON(C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)[C@@H](C)C(=O)[O-] ZINC001594037764 957830821 /nfs/dbraw/zinc/83/08/21/957830821.db2.gz ZVPNNZQMFKONFA-ZETCQYMHSA-N -1 0 323.309 -0.135 20 0 DBADRM CON1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1 ZINC001594041995 957880984 /nfs/dbraw/zinc/88/09/84/957880984.db2.gz AWBALVNYUYZYDD-HZMBPMFUSA-N -1 0 313.354 -0.245 20 0 DBADRM Cc1cc(C)n(CC(=O)N[C@H](C(=O)[O-])c2ccnn2C)c(=O)n1 ZINC001594298137 957882696 /nfs/dbraw/zinc/88/26/96/957882696.db2.gz CJUVBYFUHFWLAD-LBPRGKRZSA-N -1 0 319.321 -0.464 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594042431 957887279 /nfs/dbraw/zinc/88/72/79/957887279.db2.gz REORMSYXRGYDIY-ZDMBXUJBSA-N -1 0 315.326 -0.863 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001594042813 957895419 /nfs/dbraw/zinc/89/54/19/957895419.db2.gz JKUKWDJOPISART-GHMZBOCLSA-N -1 0 310.306 -0.533 20 0 DBADRM CON1CCC(N(C)C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC001594043964 957905117 /nfs/dbraw/zinc/90/51/17/957905117.db2.gz PVCIWPVGCPHQPV-JTQLQIEISA-N -1 0 313.354 -0.596 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C[C@@H]1OC ZINC001594045723 957917224 /nfs/dbraw/zinc/91/72/24/957917224.db2.gz QHYHSWLFVYYEJX-GARJFASQSA-N -1 0 314.338 -0.818 20 0 DBADRM Cc1cc(CCNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])nn1C ZINC001594302103 957919368 /nfs/dbraw/zinc/91/93/68/957919368.db2.gz HTVOGCVWYNTCGZ-SECBINFHSA-N -1 0 310.354 -0.434 20 0 DBADRM Cc1cc(CCNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)nn1C ZINC001594302400 957920499 /nfs/dbraw/zinc/92/04/99/957920499.db2.gz PELFYVNLPWVLSF-UHFFFAOYSA-N -1 0 322.365 -0.290 20 0 DBADRM Cc1cc(CCNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)nn1C ZINC001594302812 957928242 /nfs/dbraw/zinc/92/82/42/957928242.db2.gz WYHNNCCUBVWAKL-NSHDSACASA-N -1 0 322.365 -0.290 20 0 DBADRM Cc1cc(CN2CCN([C@@H]3CCN(CC(=O)[O-])C3=O)CC2)on1 ZINC001594303453 957932439 /nfs/dbraw/zinc/93/24/39/957932439.db2.gz QPHGVUCPCZMPHJ-CYBMUJFWSA-N -1 0 322.365 -0.214 20 0 DBADRM O=C([O-])C1(NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CCCC1 ZINC001574826925 957941053 /nfs/dbraw/zinc/94/10/53/957941053.db2.gz BCEGBPDXTUXSMB-QMMMGPOBSA-N -1 0 323.309 -0.486 20 0 DBADRM COc1c(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cccc1C(N)=O ZINC001594047580 957945062 /nfs/dbraw/zinc/94/50/62/957945062.db2.gz ANWWHHOIMNYQML-VIFPVBQESA-N -1 0 307.262 -0.038 20 0 DBADRM Cc1cc(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)on1 ZINC001594304550 957954734 /nfs/dbraw/zinc/95/47/34/957954734.db2.gz VZPMAVLWTMGUAA-UHFFFAOYSA-N -1 0 316.335 -0.121 20 0 DBADRM Cc1cc(C)n2ncc(C(=O)OCC(=O)NCC(=O)[O-])c2n1 ZINC001594305378 957962422 /nfs/dbraw/zinc/96/24/22/957962422.db2.gz FEWABOVKZDNQKE-UHFFFAOYSA-N -1 0 306.278 -0.296 20 0 DBADRM COc1cc(C(=O)OCCc2cn(CC(=O)[O-])nn2)nn1C ZINC001594050630 957984834 /nfs/dbraw/zinc/98/48/34/957984834.db2.gz JDNWQDPMSVBQTD-UHFFFAOYSA-N -1 0 309.282 -0.496 20 0 DBADRM COc1cc(C(N)=O)ccc1NC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001594052190 958000286 /nfs/dbraw/zinc/00/02/86/958000286.db2.gz IITIWVQTVDJPEF-SNVBAGLBSA-N -1 0 307.262 -0.038 20 0 DBADRM Cc1cc(N2CCOC[C@H]2C(=O)[O-])nc(S(C)(=O)=O)n1 ZINC001594313582 958050055 /nfs/dbraw/zinc/05/00/55/958050055.db2.gz MINLPJCYUFIBKR-QMMMGPOBSA-N -1 0 301.324 -0.522 20 0 DBADRM CCC(=O)NC1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000088769580 958067258 /nfs/dbraw/zinc/06/72/58/958067258.db2.gz HHHPOPSZHMKELQ-UHFFFAOYSA-N -1 0 321.399 -0.372 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCC(=O)NC2=O)cs1 ZINC000089754748 958088231 /nfs/dbraw/zinc/08/82/31/958088231.db2.gz KWNAMHCPPWWINY-ZCFIWIBFSA-N -1 0 318.332 -0.470 20 0 DBADRM O=C([O-])c1csc(S(=O)(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000089754917 958088657 /nfs/dbraw/zinc/08/86/57/958088657.db2.gz LIZUOPYWEGWPRE-LURJTMIESA-N -1 0 318.332 -0.470 20 0 DBADRM COc1cc(N2CCN(C(=O)[C@](C)(OC)C(=O)[O-])CC2)ncn1 ZINC001594061994 958097719 /nfs/dbraw/zinc/09/77/19/958097719.db2.gz JMMHSYXDEJJDDI-AWEZNQCLSA-N -1 0 324.337 -0.377 20 0 DBADRM COCCN(CC(F)F)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001349970263 958100566 /nfs/dbraw/zinc/10/05/66/958100566.db2.gz IJWVDUZNPWAVOH-ZKCHVHJHSA-N -1 0 308.281 -0.294 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114781 958157809 /nfs/dbraw/zinc/15/78/09/958157809.db2.gz BFRHWIVKKOIAJT-MRVPVSSYSA-N -1 0 307.299 -0.191 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001594327023 958181666 /nfs/dbraw/zinc/18/16/66/958181666.db2.gz NGQOWUDIKNKDCM-LLVKDONJSA-N -1 0 310.306 -0.436 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000092917550 958182163 /nfs/dbraw/zinc/18/21/63/958182163.db2.gz VATYNEYAGDHXPJ-MWLCHTKSSA-N -1 0 318.395 -0.020 20 0 DBADRM Cc1cc(S(N)(=O)=O)sc1C(=O)OCC(=O)C(=O)[O-] ZINC001594330286 958211946 /nfs/dbraw/zinc/21/19/46/958211946.db2.gz AUCXVNICNHKNQY-UHFFFAOYSA-N -1 0 307.305 -0.486 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000092947700 958228122 /nfs/dbraw/zinc/22/81/22/958228122.db2.gz NDXIRWAOOIGCNQ-KXUCPTDWSA-N -1 0 304.368 -0.074 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549218689 958250877 /nfs/dbraw/zinc/25/08/77/958250877.db2.gz CNTRJWCQKRBJNH-CABZTGNLSA-N -1 0 305.352 -0.631 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CNC(=O)c1ccccc1)C2 ZINC001549219404 958251478 /nfs/dbraw/zinc/25/14/78/958251478.db2.gz IFDXXBLIJZAJRG-LRDDRELGSA-N -1 0 318.329 -0.024 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2 ZINC001549229706 958262122 /nfs/dbraw/zinc/26/21/22/958262122.db2.gz LFJKIVMJRNYCOZ-XPTSAGLGSA-N -1 0 302.290 -0.098 20 0 DBADRM CC[C@](C)(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000094221097 958268434 /nfs/dbraw/zinc/26/84/34/958268434.db2.gz QAQFJGTZAJIUPS-JTQLQIEISA-N -1 0 313.397 -0.264 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1noc3c1COCC3)C2 ZINC001549541655 958286586 /nfs/dbraw/zinc/28/65/86/958286586.db2.gz XVQBYSDZQWVDOF-RTHLEPHNSA-N -1 0 308.290 -0.080 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC[C@H]1CCCNC1=O)C2 ZINC001552399823 958312312 /nfs/dbraw/zinc/31/23/12/958312312.db2.gz RQVNMGDPWFAIOY-BFVZDQMLSA-N -1 0 311.338 -0.745 20 0 DBADRM CN1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C(C)(C)C1=O ZINC000094865723 958316166 /nfs/dbraw/zinc/31/61/66/958316166.db2.gz LKVYYTAGEBQNNG-UHFFFAOYSA-N -1 0 316.339 -0.651 20 0 DBADRM C=CC(=O)N(CC)CC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC001588448375 958386557 /nfs/dbraw/zinc/38/65/57/958386557.db2.gz YMKIAXYBDRTADJ-SNVBAGLBSA-N -1 0 313.354 -0.541 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC(C)(C)CS(C)(=O)=O ZINC000391557567 972346292 /nfs/dbraw/zinc/34/62/92/972346292.db2.gz NYWSCSNGLCWRHD-UHFFFAOYSA-N -1 0 316.401 -0.950 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c(=O)n1C ZINC001594358664 958427108 /nfs/dbraw/zinc/42/71/08/958427108.db2.gz OBDORZKDYXUYDL-NSHDSACASA-N -1 0 321.333 -0.757 20 0 DBADRM Cc1ccc(CNC(=O)NCC(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC001594361623 958456113 /nfs/dbraw/zinc/45/61/13/958456113.db2.gz SFTZZMNFPODVKH-OAHLLOKOSA-N -1 0 323.349 -0.254 20 0 DBADRM CN1C(=O)C[C@H](NS(=O)(=O)c2ccsc2C(=O)[O-])C1=O ZINC000116072951 958458705 /nfs/dbraw/zinc/45/87/05/958458705.db2.gz PNDBSWODKMDWLG-YFKPBYRVSA-N -1 0 318.332 -0.518 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1cscn1 ZINC000124605926 958538562 /nfs/dbraw/zinc/53/85/62/958538562.db2.gz OCZGOWZYAUPVQW-ZETCQYMHSA-N -1 0 304.349 -0.143 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cscn1 ZINC000124606151 958539143 /nfs/dbraw/zinc/53/91/43/958539143.db2.gz OCZGOWZYAUPVQW-SSDOTTSWSA-N -1 0 304.349 -0.143 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)C1CCOCC1 ZINC000125893511 958571529 /nfs/dbraw/zinc/57/15/29/958571529.db2.gz OAWZKNIOSXDKAY-JTQLQIEISA-N -1 0 305.352 -0.487 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-])n1cccn1 ZINC000125945672 958572657 /nfs/dbraw/zinc/57/26/57/958572657.db2.gz BAXMQHCHTUYNKT-UWVGGRQHSA-N -1 0 315.351 -0.456 20 0 DBADRM CC(C)OC[C@H](O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000126291731 958583951 /nfs/dbraw/zinc/58/39/51/958583951.db2.gz JFOBOZGRFFKDBT-WDEREUQCSA-N -1 0 309.384 -0.654 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1CCCn1ccnc1 ZINC000126305031 958585874 /nfs/dbraw/zinc/58/58/74/958585874.db2.gz RSFYYSXSMAWOJR-NSHDSACASA-N -1 0 301.368 -0.153 20 0 DBADRM CCN(CC)C(=O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000126323556 958586383 /nfs/dbraw/zinc/58/63/83/958586383.db2.gz HNGYQUXSRZRSES-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM CCCCNC(=O)[C@@H](C)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000126331337 958587708 /nfs/dbraw/zinc/58/77/08/958587708.db2.gz DJKLYJRKQWHABJ-MNOVXSKESA-N -1 0 320.411 -0.135 20 0 DBADRM CCNC(=O)[C@H](C)NS(=O)(=O)c1scnc1C(=O)[O-] ZINC000134677575 958848190 /nfs/dbraw/zinc/84/81/90/958848190.db2.gz NXNRUYWYGSEZJL-YFKPBYRVSA-N -1 0 307.353 -0.356 20 0 DBADRM CN(Cc1nc[nH]n1)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134715157 958856267 /nfs/dbraw/zinc/85/62/67/958856267.db2.gz BUJKETDLUCHKCG-UHFFFAOYSA-N -1 0 303.325 -0.220 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC000138356918 958950792 /nfs/dbraw/zinc/95/07/92/958950792.db2.gz JCIDBJSARCRNQF-UHFFFAOYSA-N -1 0 315.355 -0.897 20 0 DBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)NCC1(C(=O)[O-])CC1 ZINC000138898006 958952887 /nfs/dbraw/zinc/95/28/87/958952887.db2.gz BIGSGYNISICQMT-QMMMGPOBSA-N -1 0 307.393 -0.112 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)[O-] ZINC000158306248 959088752 /nfs/dbraw/zinc/08/87/52/959088752.db2.gz TUHJEJKOLFDYKM-SNVBAGLBSA-N -1 0 316.335 -0.113 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)N[C@@H](COC)C(=O)[O-])CC1 ZINC000158377934 959090627 /nfs/dbraw/zinc/09/06/27/959090627.db2.gz QPDLGEBTHNNINL-JTQLQIEISA-N -1 0 322.383 -0.736 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000162989631 959223167 /nfs/dbraw/zinc/22/31/67/959223167.db2.gz BKEWYVMIBPTPQQ-SECBINFHSA-N -1 0 310.372 -0.891 20 0 DBADRM CC1(C)CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C[C@@H](CO)O1 ZINC000162986881 959223912 /nfs/dbraw/zinc/22/39/12/959223912.db2.gz BFZWCKAITAQWDD-QMMMGPOBSA-N -1 0 318.351 -0.127 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ncn(C)n1 ZINC000392133926 972413395 /nfs/dbraw/zinc/41/33/95/972413395.db2.gz CCVRREHGYJIFPB-ZETCQYMHSA-N -1 0 313.339 -0.109 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CCS(=O)(=O)CC2)CCOCC1 ZINC000166129341 959301241 /nfs/dbraw/zinc/30/12/41/959301241.db2.gz IIMGEPWLGABSFS-UHFFFAOYSA-N -1 0 320.367 -0.692 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@H](O)[C@H](C)C2)c1C(=O)[O-] ZINC000166131619 959301662 /nfs/dbraw/zinc/30/16/62/959301662.db2.gz WPAOJMTYMOXMLB-SVRRBLITSA-N -1 0 303.340 -0.192 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)NCC2(C(=O)[O-])CC2)CC1 ZINC000166999321 959328102 /nfs/dbraw/zinc/32/81/02/959328102.db2.gz DNKHZVNFAMJZPC-UHFFFAOYSA-N -1 0 320.367 -0.429 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCCCS1(=O)=O ZINC000167861515 959363306 /nfs/dbraw/zinc/36/33/06/959363306.db2.gz RDXXROXSTYZOOB-VHSXEESVSA-N -1 0 315.351 -0.511 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000169241752 959405272 /nfs/dbraw/zinc/40/52/72/959405272.db2.gz WRXXZGXBYYTQSW-JLPJYYFKSA-N -1 0 303.344 -0.958 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000169263020 959406767 /nfs/dbraw/zinc/40/67/67/959406767.db2.gz QJJSCFLITSADBR-YBYGRFCBSA-N -1 0 306.384 -0.066 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCCN2CC=CC2)CC1 ZINC000392216620 972427937 /nfs/dbraw/zinc/42/79/37/972427937.db2.gz GFSXWVLWFUJYTA-UHFFFAOYSA-N -1 0 303.384 -0.511 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CNC(=O)c1cccs1)C(=O)[O-] ZINC000214206688 959730063 /nfs/dbraw/zinc/73/00/63/959730063.db2.gz KQEOLYOVSKZAEB-SSDOTTSWSA-N -1 0 314.319 -0.390 20 0 DBADRM CN(CCCCCO)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000227048922 959914520 /nfs/dbraw/zinc/91/45/20/959914520.db2.gz UXELAUJNIOKSQM-UHFFFAOYSA-N -1 0 305.356 -0.249 20 0 DBADRM Cn1ccc(CCNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1 ZINC000227219645 959934926 /nfs/dbraw/zinc/93/49/26/959934926.db2.gz RQDZWUXDAZRNMT-UHFFFAOYSA-N -1 0 312.351 -0.022 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC000227254206 959939089 /nfs/dbraw/zinc/93/90/89/959939089.db2.gz PFSXRJPJYCADKG-AOOOYVTPSA-N -1 0 301.320 -0.581 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)c1C(=O)[O-] ZINC000227256145 959940384 /nfs/dbraw/zinc/94/03/84/959940384.db2.gz SYYSOIMPUGNPDQ-HTQZYQBOSA-N -1 0 303.340 -0.002 20 0 DBADRM O=C([O-])c1c(F)ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)c1F ZINC000227255099 959940705 /nfs/dbraw/zinc/94/07/05/959940705.db2.gz XYBGDTVPZJMPIG-KNVOCYPGSA-N -1 0 323.273 -0.611 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000227256917 959941186 /nfs/dbraw/zinc/94/11/86/959941186.db2.gz VLVBXEJTSIEFCB-QMMMGPOBSA-N -1 0 321.282 -0.664 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC[C@H]2CC[C@@H](O)C2)cn1 ZINC000227547394 959953191 /nfs/dbraw/zinc/95/31/91/959953191.db2.gz ZQDACEKFVPHFFO-DTWKUNHWSA-N -1 0 303.340 -0.593 20 0 DBADRM COC[C@@H](CCO)NS(=O)(=O)c1scnc1C(=O)[O-] ZINC000228223725 960003287 /nfs/dbraw/zinc/00/32/87/960003287.db2.gz BDENKLZIQPGVPY-ZCFIWIBFSA-N -1 0 310.353 -0.483 20 0 DBADRM CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000228233303 960005996 /nfs/dbraw/zinc/00/59/96/960005996.db2.gz AVYIJAGFOSZMET-APPZFPTMSA-N -1 0 323.396 -0.642 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N(CCO)C2CCC2)cn1 ZINC000228346591 960012684 /nfs/dbraw/zinc/01/26/84/960012684.db2.gz VVYLZVMBRZMJTB-UHFFFAOYSA-N -1 0 303.340 -0.497 20 0 DBADRM CO[C@H](C)CCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000228496510 960016638 /nfs/dbraw/zinc/01/66/38/960016638.db2.gz KNPOXMOHVNBLEH-ZJUUUORDSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)CNC(=O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000228690054 960037562 /nfs/dbraw/zinc/03/75/62/960037562.db2.gz RZHRQNWOQUJNDC-UHFFFAOYSA-N -1 0 318.355 -0.982 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000229030144 960054240 /nfs/dbraw/zinc/05/42/40/960054240.db2.gz JCTJANWBNGMOOD-JTQLQIEISA-N -1 0 303.336 -0.401 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000229033320 960054693 /nfs/dbraw/zinc/05/46/93/960054693.db2.gz QGFDBDYAVDYDNP-MRVPVSSYSA-N -1 0 307.299 -0.191 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@H](O)[C@@H](C)C2)c1C(=O)[O-] ZINC000229370087 960081596 /nfs/dbraw/zinc/08/15/96/960081596.db2.gz WPAOJMTYMOXMLB-XPUUQOCRSA-N -1 0 303.340 -0.192 20 0 DBADRM COCC[C@@](C)(O)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000230222732 960131264 /nfs/dbraw/zinc/13/12/64/960131264.db2.gz HVODISVFIMCSCO-GFCCVEGCSA-N -1 0 324.399 -0.595 20 0 DBADRM COCC[C@@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000230222793 960131328 /nfs/dbraw/zinc/13/13/28/960131328.db2.gz MEXWRNQZFUHMGV-GFCCVEGCSA-N -1 0 320.367 -0.211 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000230812011 960167059 /nfs/dbraw/zinc/16/70/59/960167059.db2.gz GJIMDXOVUGGUGQ-ZETCQYMHSA-N -1 0 323.758 -0.062 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000231022203 960178498 /nfs/dbraw/zinc/17/84/98/960178498.db2.gz ZIXCCRBZWWLKKR-LLVKDONJSA-N -1 0 307.372 -0.616 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000231021803 960178602 /nfs/dbraw/zinc/17/86/02/960178602.db2.gz NBDXFCFMSZKRRR-GFCCVEGCSA-N -1 0 321.399 -0.226 20 0 DBADRM CCN(CC)C(=O)[C@H](C)S(=O)(=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000233441785 960320397 /nfs/dbraw/zinc/32/03/97/960320397.db2.gz FZHHHYNFVYWFIF-WPRPVWTQSA-N -1 0 322.383 -0.753 20 0 DBADRM CC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000233855932 960330639 /nfs/dbraw/zinc/33/06/39/960330639.db2.gz VOFUUPUNMHELTO-WEDXCCLWSA-N -1 0 322.383 -0.706 20 0 DBADRM CO[C@@H]1CN(CC(=O)N2CCC(C(=O)[O-])CC2)C[C@@H]1OC ZINC000234797616 960371051 /nfs/dbraw/zinc/37/10/51/960371051.db2.gz UYGUTCWNNFHTDQ-TXEJJXNPSA-N -1 0 300.355 -0.345 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NCC[C@H](O)C(=O)[O-])cc1 ZINC000235041961 960382159 /nfs/dbraw/zinc/38/21/59/960382159.db2.gz QKNFHTPUPLMJFQ-JTQLQIEISA-N -1 0 301.320 -0.345 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCc1ncn(C)n1 ZINC000235838955 960515606 /nfs/dbraw/zinc/51/56/06/960515606.db2.gz FMPYORWNIDEHAJ-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@H](O)C(F)(F)F)cc1C(=O)[O-] ZINC000236065857 960546900 /nfs/dbraw/zinc/54/69/00/960546900.db2.gz MLFWUNNUYCWUPS-ZETCQYMHSA-N -1 0 316.257 -0.075 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCCOCC(F)F)CC1 ZINC000236413056 960562942 /nfs/dbraw/zinc/56/29/42/960562942.db2.gz WZFGXBNFXNSIKW-UHFFFAOYSA-N -1 0 316.326 -0.101 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)NC2(CCO)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001485417951 1013214602 /nfs/dbraw/zinc/21/46/02/1013214602.db2.gz DJHBWZBIEAECTR-GHMZBOCLSA-N -1 0 323.397 -0.001 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCC(C)(C)S(C)(=O)=O ZINC001571080434 960999813 /nfs/dbraw/zinc/99/98/13/960999813.db2.gz QXTUDHOOYJBOKO-UHFFFAOYSA-N -1 0 303.340 -0.329 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCCC(=O)[O-])C[C@H]21 ZINC001571088462 961096209 /nfs/dbraw/zinc/09/62/09/961096209.db2.gz ZDAKNONWJCPNMU-AEJSXWLSSA-N -1 0 305.352 -0.488 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C2 ZINC001571102860 961249291 /nfs/dbraw/zinc/24/92/91/961249291.db2.gz QBUFJYJGLVQJEK-VHSXEESVSA-N -1 0 308.338 -0.080 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)c2cnn3ccccc23)CCOC1 ZINC001571111816 961339209 /nfs/dbraw/zinc/33/92/09/961339209.db2.gz SAYGKJBGSKJOQA-GFCCVEGCSA-N -1 0 311.319 -0.144 20 0 DBADRM CN1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)CC1(C)C ZINC001330847256 961357976 /nfs/dbraw/zinc/35/79/76/961357976.db2.gz WLMGTLDQSJHKDI-UHFFFAOYSA-N -1 0 311.382 -0.138 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NCC2(C(=O)[O-])CCCCC2)c1=O ZINC000261784234 961392525 /nfs/dbraw/zinc/39/25/25/961392525.db2.gz SEUHRYRDJGFFOB-UHFFFAOYSA-N -1 0 323.349 -0.302 20 0 DBADRM CN(C(=O)Cn1ccc(=O)n(C)c1=O)C1(C(=O)[O-])CCCCC1 ZINC000261952423 961399998 /nfs/dbraw/zinc/39/99/98/961399998.db2.gz WPNWLLBEJOGRPP-UHFFFAOYSA-N -1 0 323.349 -0.207 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccccc2-n2cnnn2)C[C@@H](C(=O)[O-])O1 ZINC000262120280 961476493 /nfs/dbraw/zinc/47/64/93/961476493.db2.gz GNLUFUDNZGITLV-SKDRFNHKSA-N -1 0 317.305 -0.024 20 0 DBADRM C[C@H](NC(=O)CCc1cn[nH]c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001485526873 1013264190 /nfs/dbraw/zinc/26/41/90/1013264190.db2.gz OILIZIVBKGRFBQ-VIFPVBQESA-N -1 0 319.369 -0.197 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NC1(C(=O)[O-])CCSCC1 ZINC000262266890 961606427 /nfs/dbraw/zinc/60/64/27/961606427.db2.gz ZOWFGUSNQMBTQP-UHFFFAOYSA-N -1 0 324.424 -0.266 20 0 DBADRM Cn1ncc2c1CCC[C@H]2NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001574472612 961612364 /nfs/dbraw/zinc/61/23/64/961612364.db2.gz OUNSQYRSLIXJOM-SECBINFHSA-N -1 0 304.310 -0.096 20 0 DBADRM CN1C(=O)C[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])[C@H]1c1cccnc1 ZINC000262355732 961666997 /nfs/dbraw/zinc/66/69/97/961666997.db2.gz FVXARYQRABRSFA-NVBFEUDRSA-N -1 0 321.333 -0.447 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001574497274 961738877 /nfs/dbraw/zinc/73/88/77/961738877.db2.gz UVCURGHGXKOBAX-RNSXUZJQSA-N -1 0 307.310 -0.911 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-] ZINC000262554984 961770089 /nfs/dbraw/zinc/77/00/89/961770089.db2.gz WDSLWAYENPKOPR-KCJUWKMLSA-N -1 0 311.342 -0.405 20 0 DBADRM Cn1ccc(S(=O)(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)n1 ZINC001598619198 1017352739 /nfs/dbraw/zinc/35/27/39/1017352739.db2.gz ADLZJSYZLAXJTK-SECBINFHSA-N -1 0 302.356 -0.943 20 0 DBADRM CN(CC(=O)[O-])C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000263122349 962276139 /nfs/dbraw/zinc/27/61/39/962276139.db2.gz RMYMYEGALXCKKD-UHFFFAOYSA-N -1 0 305.290 -0.105 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N[C@@](C)(CCF)C(=O)[O-])C1 ZINC001598623599 1017355031 /nfs/dbraw/zinc/35/50/31/1017355031.db2.gz KUBUBAABHAPEBA-ONGXEEELSA-N -1 0 312.363 -0.561 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)CCO1 ZINC001349971066 962513688 /nfs/dbraw/zinc/51/36/88/962513688.db2.gz MPAZEQDXDFAGIE-YFKTTZPYSA-N -1 0 310.350 -0.007 20 0 DBADRM C=CS(=O)(=O)CCC(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001573337822 962868132 /nfs/dbraw/zinc/86/81/32/962868132.db2.gz VITKDDBUCSKIJL-SNVBAGLBSA-N -1 0 301.324 -0.390 20 0 DBADRM CN(Cc1nnc2n1CCN(C)C2=O)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598627170 1017359576 /nfs/dbraw/zinc/35/95/76/1017359576.db2.gz FDMKQBIXBVDWOO-JGVFFNPUSA-N -1 0 307.310 -0.957 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)CC(=O)N1CCCCCC1)C(=O)[O-] ZINC000300448448 963009744 /nfs/dbraw/zinc/00/97/44/963009744.db2.gz RXDLIWUDAFONFL-MQJDWESPSA-N -1 0 318.395 -0.273 20 0 DBADRM COC(=O)NCCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000308160167 963262885 /nfs/dbraw/zinc/26/28/85/963262885.db2.gz YBOSCORVBIRIDM-UHFFFAOYSA-N -1 0 317.323 -0.200 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NC1COCCOC1 ZINC000312091581 963533949 /nfs/dbraw/zinc/53/39/49/963533949.db2.gz PWFXLTXGDWWHRT-UHFFFAOYSA-N -1 0 308.337 -0.465 20 0 DBADRM NC(=O)[C@@]1(O)CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000312247481 963547450 /nfs/dbraw/zinc/54/74/50/963547450.db2.gz DUHYBESUSHGDJQ-SNVBAGLBSA-N -1 0 320.348 -0.943 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000312254667 963548866 /nfs/dbraw/zinc/54/88/66/963548866.db2.gz GARVWVDQAPFRIS-UHFFFAOYSA-N -1 0 307.372 -0.714 20 0 DBADRM NC(=O)[C@@]1(O)CCN(S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000312306867 963552626 /nfs/dbraw/zinc/55/26/26/963552626.db2.gz OUMGBXIJNXBUGC-SNVBAGLBSA-N -1 0 320.348 -0.943 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccn1)C(N)=O ZINC000312506807 963569873 /nfs/dbraw/zinc/56/98/73/963569873.db2.gz RLJNVAWSFYYPIR-VIFPVBQESA-N -1 0 301.324 -0.432 20 0 DBADRM NC(=O)CCCCNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000312513858 963571526 /nfs/dbraw/zinc/57/15/26/963571526.db2.gz SMAKYELXVVOOFT-UHFFFAOYSA-N -1 0 301.324 -0.286 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC000312614323 963577501 /nfs/dbraw/zinc/57/75/01/963577501.db2.gz ZXWPAXGRMQMSOD-UHFFFAOYSA-N -1 0 301.324 -0.570 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])cc1 ZINC000313541744 963664884 /nfs/dbraw/zinc/66/48/84/963664884.db2.gz LMDDKHBDVHAAFE-GFCCVEGCSA-N -1 0 317.319 -0.413 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])c1 ZINC000313545533 963665315 /nfs/dbraw/zinc/66/53/15/963665315.db2.gz OKVMDSOATLMLAA-LBPRGKRZSA-N -1 0 317.319 -0.413 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1ccc(-n2ccnc2)nc1 ZINC000314129333 963714924 /nfs/dbraw/zinc/71/49/24/963714924.db2.gz NGATTYCNYSBATJ-GHMZBOCLSA-N -1 0 302.290 -0.073 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000314259902 963732844 /nfs/dbraw/zinc/73/28/44/963732844.db2.gz SESLRZXDWDIULE-PSASIEDQSA-N -1 0 306.274 -0.323 20 0 DBADRM Cc1cc2ncc(C(=O)NCC(=O)NCC(=O)[O-])c(C)n2n1 ZINC000314295598 963737369 /nfs/dbraw/zinc/73/73/69/963737369.db2.gz STCOHZYJEQCOPA-UHFFFAOYSA-N -1 0 305.294 -0.723 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000314301333 963738537 /nfs/dbraw/zinc/73/85/37/963738537.db2.gz ZABVFKKIFQOFIK-UHFFFAOYSA-N -1 0 311.250 -0.709 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000314354752 963744302 /nfs/dbraw/zinc/74/43/02/963744302.db2.gz WQPWNNQYHWKXND-QMMMGPOBSA-N -1 0 321.326 -0.112 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000314877736 963823604 /nfs/dbraw/zinc/82/36/04/963823604.db2.gz YSWAOMPWPWZBGU-ZJUUUORDSA-N -1 0 321.399 -0.468 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccc(=O)n(CCOC)n1 ZINC000315047083 963850654 /nfs/dbraw/zinc/85/06/54/963850654.db2.gz ZBMIDGNYJQKIAW-UHFFFAOYSA-N -1 0 313.310 -0.937 20 0 DBADRM CCCN(CC(=O)N(C)C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315363659 963890227 /nfs/dbraw/zinc/89/02/27/963890227.db2.gz IQJYPOPPXKJNAI-UHFFFAOYSA-N -1 0 319.339 -0.138 20 0 DBADRM CC(=O)c1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n(C)c1 ZINC000315427938 963899236 /nfs/dbraw/zinc/89/92/36/963899236.db2.gz OVNPCXLOEBJXDI-SNVBAGLBSA-N -1 0 307.306 -0.357 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000315477698 963906453 /nfs/dbraw/zinc/90/64/53/963906453.db2.gz SBSXZBGGNDUEPP-MNOVXSKESA-N -1 0 303.278 -0.678 20 0 DBADRM CN(CC1(O)CCOCC1)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315623190 963920274 /nfs/dbraw/zinc/92/02/74/963920274.db2.gz PLKRJIMKNKWPLZ-UHFFFAOYSA-N -1 0 320.323 -0.465 20 0 DBADRM CC(=O)N[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000315896861 963948710 /nfs/dbraw/zinc/94/87/10/963948710.db2.gz CKVBJBGUDKKMHP-SSDOTTSWSA-N -1 0 303.296 -0.728 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])no1)c1ncn(C)n1 ZINC000316020767 963966165 /nfs/dbraw/zinc/96/61/65/963966165.db2.gz SVEABLPOOZVVNB-RXMQYKEDSA-N -1 0 301.284 -0.459 20 0 DBADRM CCN(CC(=O)N(C)C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000316141655 963982451 /nfs/dbraw/zinc/98/24/51/963982451.db2.gz GHJSJCOFERAEOR-UHFFFAOYSA-N -1 0 305.312 -0.528 20 0 DBADRM O=C(Cn1c(=O)oc2ccccc21)N[C@@]1(C(=O)[O-])CCOC1 ZINC000316253285 963994428 /nfs/dbraw/zinc/99/44/28/963994428.db2.gz IZNWTVYQKXTOIF-AWEZNQCLSA-N -1 0 306.274 -0.046 20 0 DBADRM Cc1oc(C)c(S(=O)(=O)N2C[C@H](CO)[C@H](O)C2)c1C(=O)[O-] ZINC000316415104 964010238 /nfs/dbraw/zinc/01/02/38/964010238.db2.gz OMTFUPAXKGUNRU-RKDXNWHRSA-N -1 0 319.335 -0.432 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CCn1ccccc1=O)C(=O)[O-] ZINC000316835643 964061533 /nfs/dbraw/zinc/06/15/33/964061533.db2.gz PYHJNNQNWLYJFE-SNVBAGLBSA-N -1 0 310.306 -0.239 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)N[C@H](C)c2ncccn2)c1[O-] ZINC001485986446 1013504421 /nfs/dbraw/zinc/50/44/21/1013504421.db2.gz CNFKKPLYMFEOJV-NXEZZACHSA-N -1 0 320.353 -0.345 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)NOCCCC(=O)[O-])cc1C ZINC001598651397 1017369685 /nfs/dbraw/zinc/36/96/85/1017369685.db2.gz QACOJRWJATZDTG-UHFFFAOYSA-N -1 0 313.314 -0.145 20 0 DBADRM Cc1cc(C)nc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001486010694 1013555132 /nfs/dbraw/zinc/55/51/32/1013555132.db2.gz FHFJVDLJGZJOBW-JTQLQIEISA-N -1 0 320.353 -0.597 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001598652158 1017370091 /nfs/dbraw/zinc/37/00/91/1017370091.db2.gz CDSDWNLWBNXEDK-SECBINFHSA-N -1 0 310.310 -0.517 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001598652863 1017372650 /nfs/dbraw/zinc/37/26/50/1017372650.db2.gz HBJAGJMBOFFMQV-WDEREUQCSA-N -1 0 313.354 -0.236 20 0 DBADRM CNC(=O)[C@H](CCSC)NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001598655627 1017372669 /nfs/dbraw/zinc/37/26/69/1017372669.db2.gz LJZOQRZWJJNQFS-ZETCQYMHSA-N -1 0 312.351 -0.228 20 0 DBADRM COc1cccc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001486053756 1013632320 /nfs/dbraw/zinc/63/23/20/1013632320.db2.gz HXRTWTRTXWDHIM-SNVBAGLBSA-N -1 0 321.337 -0.601 20 0 DBADRM O=C(Cc1ccccc1F)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001486058358 1013638030 /nfs/dbraw/zinc/63/80/30/1013638030.db2.gz YCFCDDRQEQFFIP-JTQLQIEISA-N -1 0 323.328 -0.541 20 0 DBADRM CO[C@@]1(CNS(=O)(=O)CC2(C(=O)[O-])CCC2)CCOC1 ZINC001599090982 1017511797 /nfs/dbraw/zinc/51/17/97/1017511797.db2.gz WUUSOPHJIAJBSI-GFCCVEGCSA-N -1 0 307.368 -0.034 20 0 DBADRM CO[C@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC001599120574 1017519279 /nfs/dbraw/zinc/51/92/79/1017519279.db2.gz WNJQHPFYEWOGGU-IUCAKERBSA-N -1 0 308.356 -0.984 20 0 DBADRM COC[C@@H](OC)C(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001599188257 1017548236 /nfs/dbraw/zinc/54/82/36/1017548236.db2.gz YKOJYJMMXKWWLN-VHSXEESVSA-N -1 0 303.311 -0.343 20 0 DBADRM O=C([O-])CCSCCNC(=O)CN1CCCCS1(=O)=O ZINC001602029043 1017925639 /nfs/dbraw/zinc/92/56/39/1017925639.db2.gz AGISQXYZCPBOKL-UHFFFAOYSA-N -1 0 324.424 -0.264 20 0 DBADRM CC(=O)NCC(=O)N[C@@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001486134771 1013695514 /nfs/dbraw/zinc/69/55/14/1013695514.db2.gz HFSCZSFJIIPTBG-IINYFYTJSA-N -1 0 322.369 -0.740 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001603966553 1018269470 /nfs/dbraw/zinc/26/94/70/1018269470.db2.gz UZGDMDMVWWOXCW-SKDRFNHKSA-N -1 0 322.383 -0.955 20 0 DBADRM O=C([O-])C1CN(C(=O)CCNS(=O)(=O)c2cccs2)C1 ZINC000071172813 967557420 /nfs/dbraw/zinc/55/74/20/967557420.db2.gz PNVLAUMBYMSANU-UHFFFAOYSA-N -1 0 318.376 -0.041 20 0 DBADRM CCCNC(=O)CCCC(=O)N(CC(=O)[O-])CC(=O)OC ZINC001605326993 1018556443 /nfs/dbraw/zinc/55/64/43/1018556443.db2.gz NQWKLGRRQCFLFL-UHFFFAOYSA-N -1 0 302.327 -0.231 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCN(CC(F)(F)F)CC1 ZINC000093230093 967598693 /nfs/dbraw/zinc/59/86/93/967598693.db2.gz YRYXNVHGPOGZDC-UHFFFAOYSA-N -1 0 313.276 -0.023 20 0 DBADRM CCN(C)C(=O)[C@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000231841082 967739483 /nfs/dbraw/zinc/73/94/83/967739483.db2.gz VQVSHSVJSBJFGH-VIFPVBQESA-N -1 0 321.399 -0.516 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCc2ccncn2)CC1 ZINC000236415140 967771201 /nfs/dbraw/zinc/77/12/01/967771201.db2.gz PPNGAPIWMSCWIV-UHFFFAOYSA-N -1 0 300.340 -0.392 20 0 DBADRM CCCn1cc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)nn1 ZINC001596113326 1017113282 /nfs/dbraw/zinc/11/32/82/1017113282.db2.gz BTAXHPVORYQYQV-SNVBAGLBSA-N -1 0 310.310 -0.080 20 0 DBADRM COC(=O)[C@@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)[C@@H](C)O ZINC001606506417 1018850432 /nfs/dbraw/zinc/85/04/32/1018850432.db2.gz XUPPGXQQSFJVTF-LOKLDPHHSA-N -1 0 303.311 -0.563 20 0 DBADRM CC[C@H](CNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000313887657 967963117 /nfs/dbraw/zinc/96/31/17/967963117.db2.gz OOFIRBOAGFDMKL-ZJUUUORDSA-N -1 0 321.399 -0.228 20 0 DBADRM CC1(C)CCN(CCS(=O)(=O)CC(=O)[O-])CC[S@]1=O ZINC000321897535 968015990 /nfs/dbraw/zinc/01/59/90/968015990.db2.gz UETZPNGHBBOGCH-GOSISDBHSA-N -1 0 311.425 -0.281 20 0 DBADRM C[C@@H](C(=O)[O-])N(CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000383012871 968105125 /nfs/dbraw/zinc/10/51/25/968105125.db2.gz CAFMHRRWRQDFHX-IUCAKERBSA-N -1 0 304.368 -0.773 20 0 DBADRM N#Cc1cccc(NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000396643014 968229117 /nfs/dbraw/zinc/22/91/17/968229117.db2.gz KMCXIOPWULWAFU-UHFFFAOYSA-N -1 0 316.317 -0.274 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)CC1 ZINC000396746428 968232016 /nfs/dbraw/zinc/23/20/16/968232016.db2.gz NTJGEWMFJVYCKD-NSHDSACASA-N -1 0 323.349 -0.857 20 0 DBADRM CCn1cc(CNC(=O)N2CC[C@@](COC)(C(=O)[O-])C2)nn1 ZINC000404403690 968324640 /nfs/dbraw/zinc/32/46/40/968324640.db2.gz BIKYVAKABBWTLM-CYBMUJFWSA-N -1 0 311.342 -0.069 20 0 DBADRM CSCCCNC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001610382500 1019675703 /nfs/dbraw/zinc/67/57/03/1019675703.db2.gz XQVUPSUUAVZUJU-JTQLQIEISA-N -1 0 318.395 -0.460 20 0 DBADRM CCN(C)C(=O)CNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001596182461 1017116753 /nfs/dbraw/zinc/11/67/53/1017116753.db2.gz AFGWARQFVKZDHU-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM CCC(=O)N[C@@H](C)[C@@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001486624208 1013865262 /nfs/dbraw/zinc/86/52/62/1013865262.db2.gz MQNQPNLVFKKGRF-DTWKUNHWSA-N -1 0 313.358 -0.111 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)C2=COCCO2)c1[O-] ZINC001486842703 1013890864 /nfs/dbraw/zinc/89/08/64/1013890864.db2.gz UPXFGMDQTKWPFJ-QMMMGPOBSA-N -1 0 324.337 -0.111 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)[C@@H]1CC1(C)C ZINC001486940991 1013906339 /nfs/dbraw/zinc/90/63/39/1013906339.db2.gz RKONKWGSQXNFNG-YUMQZZPRSA-N -1 0 323.353 -0.094 20 0 DBADRM CC[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001486947428 1013906517 /nfs/dbraw/zinc/90/65/17/1013906517.db2.gz CHHZVPXFKPASMI-DTWKUNHWSA-N -1 0 313.358 -0.302 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1C[C@H]1C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001486951958 1013908275 /nfs/dbraw/zinc/90/82/75/1013908275.db2.gz ANMBPHNOGYMWJU-BWZBUEFSSA-N -1 0 309.326 -0.485 20 0 DBADRM C[C@@]1(CC(=O)Nc2cc(C(=O)[O-])n[nH]2)CCS(=O)(=O)N1 ZINC001573619755 969822462 /nfs/dbraw/zinc/82/24/62/969822462.db2.gz JHIXCUAZXBCWNC-JTQLQIEISA-N -1 0 302.312 -0.482 20 0 DBADRM C[C@H](CNC(=O)[C@H]1C[C@@H]1C)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001486960059 1013911232 /nfs/dbraw/zinc/91/12/32/1013911232.db2.gz INVUTPAFTBSRRO-AEJSXWLSSA-N -1 0 322.365 -0.281 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CCO)CN(C(=O)C(C)C)C2)c1[O-] ZINC001487029340 1013931826 /nfs/dbraw/zinc/93/18/26/1013931826.db2.gz YJWVFETXRVHYSX-UHFFFAOYSA-N -1 0 310.354 -0.227 20 0 DBADRM CCN(CC(C)C)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001596231533 1017119391 /nfs/dbraw/zinc/11/93/91/1017119391.db2.gz PCTDRHJBVHERQW-GHMZBOCLSA-N -1 0 300.355 -0.215 20 0 DBADRM CCc1nnc(C)cc1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000317678699 970378882 /nfs/dbraw/zinc/37/88/82/970378882.db2.gz XGBIXHQQCINNKT-LLVKDONJSA-N -1 0 306.322 -0.237 20 0 DBADRM C[C@@]1(O)CCCN(C(=O)NCCn2cc(C(=O)[O-])nn2)CC1 ZINC000318039204 970405818 /nfs/dbraw/zinc/40/58/18/970405818.db2.gz WTRBFONXPHEWGG-CYBMUJFWSA-N -1 0 311.342 -0.077 20 0 DBADRM CC(=O)NC[C@H]1C[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001487432557 1013988825 /nfs/dbraw/zinc/98/88/25/1013988825.db2.gz JWKFRUVWZBZYNY-MGCOHNPYSA-N -1 0 311.342 -0.500 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CC[C@@H](C)C[C@H]2C(=O)[O-])CC1 ZINC000319341827 970526111 /nfs/dbraw/zinc/52/61/11/970526111.db2.gz UAYUHOWMIZKFMH-YPMHNXCESA-N -1 0 311.382 -0.138 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000319574757 970549427 /nfs/dbraw/zinc/54/94/27/970549427.db2.gz RJRCSGYZRGDBFJ-SECBINFHSA-N -1 0 320.261 -0.044 20 0 DBADRM CC(C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001487668884 1014015703 /nfs/dbraw/zinc/01/57/03/1014015703.db2.gz MENBJYNIMZNPOR-VIFPVBQESA-N -1 0 323.353 -0.094 20 0 DBADRM COC[C@](C)(NCC(=O)NC(=O)NC1CCCC1)C(=O)[O-] ZINC000392842488 972533384 /nfs/dbraw/zinc/53/33/84/972533384.db2.gz ADKHWGZCQRYHGI-ZDUSSCGKSA-N -1 0 301.343 -0.166 20 0 DBADRM CC[C@](COC)(NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000392884275 972538453 /nfs/dbraw/zinc/53/84/53/972538453.db2.gz OWTBSSVEGOTGRH-JOYOIKCWSA-N -1 0 322.383 -0.305 20 0 DBADRM CC[C@H](C)C(=O)N[C@H](C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001487856874 1014044596 /nfs/dbraw/zinc/04/45/96/1014044596.db2.gz VDGHBTHYVQZCOQ-DTWKUNHWSA-N -1 0 313.358 -0.302 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CCNC(=O)c1ccco1)C(=O)[O-] ZINC000393647400 972620453 /nfs/dbraw/zinc/62/04/53/972620453.db2.gz XKIKOJWSKOVWMN-MRVPVSSYSA-N -1 0 312.278 -0.468 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000393882994 972656460 /nfs/dbraw/zinc/65/64/60/972656460.db2.gz VFGWHFYEEWKEAC-UHFFFAOYSA-N -1 0 309.365 -0.285 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000394240179 972689713 /nfs/dbraw/zinc/68/97/13/972689713.db2.gz MWSLPTATOVAWHL-MRVPVSSYSA-N -1 0 306.340 -0.913 20 0 DBADRM CC(=O)NCc1ccc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1 ZINC000395415933 972796062 /nfs/dbraw/zinc/79/60/62/972796062.db2.gz JXRVITUPPRWGNE-HNNXBMFYSA-N -1 0 306.318 -0.016 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C[C@H]1O ZINC000395740262 972827072 /nfs/dbraw/zinc/82/70/72/972827072.db2.gz AOKRKDPKYPXSNM-VXGBXAGGSA-N -1 0 315.347 -0.094 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C[C@H]1O ZINC000395842869 972836606 /nfs/dbraw/zinc/83/66/06/972836606.db2.gz IVNMWRKCOARPOK-GHMZBOCLSA-N -1 0 319.310 -0.096 20 0 DBADRM Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])nn1 ZINC000396443967 972890732 /nfs/dbraw/zinc/89/07/32/972890732.db2.gz XLOLASWJFJXBQI-SECBINFHSA-N -1 0 313.335 -0.501 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@H](O)[C@@H](CO)C2)cc1C(=O)[O-] ZINC000396903229 972949671 /nfs/dbraw/zinc/94/96/71/972949671.db2.gz XZGGXBPXDFRPOL-KCJUWKMLSA-N -1 0 318.351 -0.913 20 0 DBADRM CNC(=O)NCCNS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000397433946 973000345 /nfs/dbraw/zinc/00/03/45/973000345.db2.gz MFUFRMLGXBKNCB-UHFFFAOYSA-N -1 0 315.351 -0.099 20 0 DBADRM COCCN1C[C@@H](C(=O)Nc2ccncc2C(=O)[O-])CC1=O ZINC000397433106 973000604 /nfs/dbraw/zinc/00/06/04/973000604.db2.gz SKPFXIPVECHZSH-VIFPVBQESA-N -1 0 307.306 -0.365 20 0 DBADRM C[C@@H]1CC[C@@H](CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)O1 ZINC000398127402 973072881 /nfs/dbraw/zinc/07/28/81/973072881.db2.gz JBDMDMWZEUECPN-BDAKNGLRSA-N -1 0 303.340 -0.187 20 0 DBADRM Cn1nnc(CNC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)n1 ZINC000398164049 973076889 /nfs/dbraw/zinc/07/68/89/973076889.db2.gz KWHGFRQFIOGXJF-SECBINFHSA-N -1 0 322.247 -0.241 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000398217809 973084556 /nfs/dbraw/zinc/08/45/56/973084556.db2.gz BBIKOPJWOPDTHZ-ZETCQYMHSA-N -1 0 322.270 -0.152 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)NC1(CC(=O)[O-])CC1 ZINC000398275058 973100907 /nfs/dbraw/zinc/10/09/07/973100907.db2.gz IVJCPVUCSNFECR-UHFFFAOYSA-N -1 0 301.324 -0.590 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@H](C)S(N)(=O)=O ZINC000398276068 973101289 /nfs/dbraw/zinc/10/12/89/973101289.db2.gz SMCBOOQTHRAVMX-YFKPBYRVSA-N -1 0 303.340 -0.263 20 0 DBADRM CCN(CC(N)=O)S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC001596236734 1017123519 /nfs/dbraw/zinc/12/35/19/1017123519.db2.gz BTNMNNLVPJMDLO-UHFFFAOYSA-N -1 0 322.364 -0.049 20 0 DBADRM C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000398955853 973185017 /nfs/dbraw/zinc/18/50/17/973185017.db2.gz PFNVWFGVYMGIIT-QQOXFEPMSA-N -1 0 310.353 -0.240 20 0 DBADRM C/C(=C/C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001487977240 1014090065 /nfs/dbraw/zinc/09/00/65/1014090065.db2.gz LSDQDGTYKFWXMC-UIJKISKDSA-N -1 0 322.365 -0.013 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)c2cc(C(=O)[O-])no2)C1 ZINC000400248988 973262410 /nfs/dbraw/zinc/26/24/10/973262410.db2.gz AYYBWJNUZRZPBV-LURJTMIESA-N -1 0 303.296 -0.864 20 0 DBADRM C[C@@H]1CN(C(=O)NCCOCC(=O)[O-])C[C@H](C)S1(=O)=O ZINC000400842545 973320173 /nfs/dbraw/zinc/32/01/73/973320173.db2.gz XXFOKACEALBTMQ-DTORHVGOSA-N -1 0 308.356 -0.695 20 0 DBADRM COCC1(CC(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CC1 ZINC000401441059 973365580 /nfs/dbraw/zinc/36/55/80/973365580.db2.gz ZKRHLZVGGTYWOS-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM CO[C@]1(CO)CCCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000401710958 973379733 /nfs/dbraw/zinc/37/97/33/973379733.db2.gz HZCYSWJDVYXBKN-LLVKDONJSA-N -1 0 320.323 -0.465 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401785418 973390412 /nfs/dbraw/zinc/39/04/12/973390412.db2.gz KARLAROUIZQXSS-GARJFASQSA-N -1 0 315.370 -0.232 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)CCNC(=O)c2ccco2)C1 ZINC000401818605 973417315 /nfs/dbraw/zinc/41/73/15/973417315.db2.gz ISJGKRFLXKHNLV-ZJUUUORDSA-N -1 0 310.306 -0.307 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401819803 973418357 /nfs/dbraw/zinc/41/83/57/973418357.db2.gz JVDXVMPMWGTDMH-UWVGGRQHSA-N -1 0 301.343 -0.668 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)nc2n1 ZINC000401826924 973426127 /nfs/dbraw/zinc/42/61/27/973426127.db2.gz BTWVSNJZTBVIBP-NXEZZACHSA-N -1 0 319.321 -0.351 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2cccnc2F)C1 ZINC000401835748 973434021 /nfs/dbraw/zinc/43/40/21/973434021.db2.gz PXIBFVMJYRVOJC-HTQZYQBOSA-N -1 0 304.299 -0.323 20 0 DBADRM CCN(CCC(=O)NC)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001596299889 1017124789 /nfs/dbraw/zinc/12/47/89/1017124789.db2.gz HPIIENGVJMCAJZ-VHSXEESVSA-N -1 0 313.354 -0.707 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)CNC(=O)c2cccc(F)c2)C1 ZINC000401881363 973488421 /nfs/dbraw/zinc/48/84/21/973488421.db2.gz OCNZLHQSEGXCQO-PWSUYJOCSA-N -1 0 324.308 -0.151 20 0 DBADRM COCCOCCCNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401904873 973513589 /nfs/dbraw/zinc/51/35/89/973513589.db2.gz QHIFVERSKIEHQC-QWRGUYRKSA-N -1 0 304.343 -0.484 20 0 DBADRM C[S@](=O)C1(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1 ZINC000401907280 973518344 /nfs/dbraw/zinc/51/83/44/973518344.db2.gz IKTHMGKICXWYLX-DYCLVXDSSA-N -1 0 304.368 -0.626 20 0 DBADRM Cc1nnc(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)s1 ZINC000401925008 973539437 /nfs/dbraw/zinc/53/94/37/973539437.db2.gz QMXPTULVIBKVKW-JGVFFNPUSA-N -1 0 300.340 -0.176 20 0 DBADRM CCn1cc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)nc1C ZINC000401926151 973539467 /nfs/dbraw/zinc/53/94/67/973539467.db2.gz RIBXQGKOVIOUTM-VHSXEESVSA-N -1 0 317.367 -0.332 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(Cc2nnnn2Cc2ccccc2)C1 ZINC000401942896 973550418 /nfs/dbraw/zinc/55/04/18/973550418.db2.gz HHPXKGMSCVPYBG-CHWSQXEVSA-N -1 0 317.349 -0.011 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(Cc2nnnn2Cc2ccccc2)C1 ZINC000401942899 973550463 /nfs/dbraw/zinc/55/04/63/973550463.db2.gz HHPXKGMSCVPYBG-QWHCGFSZSA-N -1 0 317.349 -0.011 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)Cn2c(=O)oc3ccccc32)C1 ZINC000401950699 973557767 /nfs/dbraw/zinc/55/77/67/973557767.db2.gz UJWWXFLYPZFVJZ-ZJUUUORDSA-N -1 0 320.301 -0.112 20 0 DBADRM Cc1ncc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)s1 ZINC000401973223 973580313 /nfs/dbraw/zinc/58/03/13/973580313.db2.gz PPKJSKTURVTJEN-HTQZYQBOSA-N -1 0 306.365 -0.092 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)COCC(=O)[O-] ZINC001573447975 1026578170 /nfs/dbraw/zinc/57/81/70/1026578170.db2.gz QKQNLCUWQDCMCN-QMMMGPOBSA-N -1 0 306.315 -0.911 20 0 DBADRM CCOC(=O)NCC(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001573787470 1026634537 /nfs/dbraw/zinc/63/45/37/1026634537.db2.gz BQYTUWPNSFBUGK-NRFANRHFSA-N -1 0 320.367 -0.443 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000402623383 973632992 /nfs/dbraw/zinc/63/29/92/973632992.db2.gz WBSDNQCSZPTPRU-UWVGGRQHSA-N -1 0 315.351 -0.371 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000402623387 973633156 /nfs/dbraw/zinc/63/31/56/973633156.db2.gz WBSDNQCSZPTPRU-ZJUUUORDSA-N -1 0 315.351 -0.371 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NCC[C@@]2(O)CCOC2)c1 ZINC000403120298 973661500 /nfs/dbraw/zinc/66/15/00/973661500.db2.gz LZPIMLHFUKHGQA-GFCCVEGCSA-N -1 0 316.335 -0.400 20 0 DBADRM CCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001573750798 1026627626 /nfs/dbraw/zinc/62/76/26/1026627626.db2.gz ICVQIIFTMUWGBA-ASCAZGACSA-N -1 0 315.417 -0.009 20 0 DBADRM CCCN([C@H](COC)C(=O)[O-])S(=O)(=O)N=S(C)(C)=O ZINC001573751064 1026627636 /nfs/dbraw/zinc/62/76/36/1026627636.db2.gz OBBUIIHJWMZELR-MRVPVSSYSA-N -1 0 316.401 -0.230 20 0 DBADRM NC(=O)c1csc(CNS(=O)(=O)C2(C(=O)[O-])CCC2)n1 ZINC001574263215 1026743757 /nfs/dbraw/zinc/74/37/57/1026743757.db2.gz WGWOVANNTWUPQW-UHFFFAOYSA-N -1 0 319.364 -0.331 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCCc3n[nH]cc3C2)nn1 ZINC000404651179 973739748 /nfs/dbraw/zinc/73/97/48/973739748.db2.gz QZJKPXASSSRQMF-UHFFFAOYSA-N -1 0 319.325 -0.143 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC000405535333 973895710 /nfs/dbraw/zinc/89/57/10/973895710.db2.gz OQESTWGKFBTAQZ-VHSXEESVSA-N -1 0 321.399 -0.002 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)Cc1ccc(C)nc1)C(=O)[O-] ZINC000405703481 973902582 /nfs/dbraw/zinc/90/25/82/973902582.db2.gz NFVGVBRVPOINJM-NSHDSACASA-N -1 0 300.336 -0.106 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)Cc1ccon1 ZINC001596333508 1017129374 /nfs/dbraw/zinc/12/93/74/1017129374.db2.gz RFIKJNBEBKYPHL-MNOVXSKESA-N -1 0 309.322 -0.098 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC000585867845 974961472 /nfs/dbraw/zinc/96/14/72/974961472.db2.gz LFPLGZNGRUBBSI-HQJQHLMTSA-N -1 0 305.294 -0.465 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1nnc2c(=O)n(C)ccn12 ZINC001591719476 975639512 /nfs/dbraw/zinc/63/95/12/975639512.db2.gz BNXFPBGEHZWOJD-JTQLQIEISA-N -1 0 323.353 -0.262 20 0 DBADRM CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001591720347 975651811 /nfs/dbraw/zinc/65/18/11/975651811.db2.gz MNZUYUAVIVPEJQ-GMTAPVOTSA-N -1 0 316.354 -0.790 20 0 DBADRM CC(C)OCCCNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001591722967 975669025 /nfs/dbraw/zinc/66/90/25/975669025.db2.gz ZFMGHSSGCVKXIO-UHFFFAOYSA-N -1 0 312.326 -0.012 20 0 DBADRM CCN(CCNC(=O)c1ncccn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596335000 1017131794 /nfs/dbraw/zinc/13/17/94/1017131794.db2.gz FQDWGDQQQKIRAF-NXEZZACHSA-N -1 0 306.322 -0.224 20 0 DBADRM CC(=O)N1CCC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001488264515 1014311744 /nfs/dbraw/zinc/31/17/44/1014311744.db2.gz ODZYIMQWAXDTTL-SCZZXKLOSA-N -1 0 323.353 -0.269 20 0 DBADRM CCC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001488314665 1014321116 /nfs/dbraw/zinc/32/11/16/1014321116.db2.gz ZFVDKLFQPRKEHD-QMMMGPOBSA-N -1 0 322.321 -0.113 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2C)c1[O-] ZINC001488348578 1014365608 /nfs/dbraw/zinc/36/56/08/1014365608.db2.gz SRRSMIDZCPQFEG-FKTZTGRPSA-N -1 0 310.354 -0.371 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)CC(C)(C)O ZINC000909200882 977434528 /nfs/dbraw/zinc/43/45/28/977434528.db2.gz UUZVJJPRLLMLBY-UHFFFAOYSA-N -1 0 300.355 -0.071 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)CCO1 ZINC000927949978 977447500 /nfs/dbraw/zinc/44/75/00/977447500.db2.gz KFUQUTURUWJUFK-QCNOEVLYSA-N -1 0 310.350 -0.149 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)Cc3cnc[nH]3)C2)c1[O-] ZINC000990856739 977456911 /nfs/dbraw/zinc/45/69/11/977456911.db2.gz AFPKUKYURRCBIV-UHFFFAOYSA-N -1 0 304.310 -0.670 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)Cn3ccnc3)C2)c1[O-] ZINC000990855486 977457244 /nfs/dbraw/zinc/45/72/44/977457244.db2.gz VCJIXAFGLTXSQD-UHFFFAOYSA-N -1 0 304.310 -0.739 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN(C)C(=O)CCCF)c1[O-] ZINC001488391759 1014401670 /nfs/dbraw/zinc/40/16/70/1014401670.db2.gz SQTLXIUEBXSUKQ-VIFPVBQESA-N -1 0 316.333 -0.277 20 0 DBADRM Cc1cncn1CC(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001528419646 1014410013 /nfs/dbraw/zinc/41/00/13/1014410013.db2.gz AWIGAWGXHBUFCU-UHFFFAOYSA-N -1 0 320.353 -0.183 20 0 DBADRM O=C(Cc1cc[nH]n1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052270949 977688187 /nfs/dbraw/zinc/68/81/87/977688187.db2.gz VVRFSAJGYFBJRQ-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM COCC(=O)NC[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1C ZINC001052377518 977716403 /nfs/dbraw/zinc/71/64/03/977716403.db2.gz MQDQEIKAHMZNNS-WPRPVWTQSA-N -1 0 310.354 -0.106 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cn[nH]n1 ZINC001052519720 977756555 /nfs/dbraw/zinc/75/65/55/977756555.db2.gz AGOAJGJANNCZQG-QMMMGPOBSA-N -1 0 306.330 -0.587 20 0 DBADRM CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001488415283 1014426022 /nfs/dbraw/zinc/42/60/22/1014426022.db2.gz NSBLQTLHRFDIAZ-VIFPVBQESA-N -1 0 322.321 -0.160 20 0 DBADRM CC(C)C(=O)NC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001053075658 977849004 /nfs/dbraw/zinc/84/90/04/977849004.db2.gz UOABJTXLRDMPRJ-BDAKNGLRSA-N -1 0 323.353 -0.237 20 0 DBADRM CCC(=O)NC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001053074384 977849749 /nfs/dbraw/zinc/84/97/49/977849749.db2.gz NZLOHJCIENLHCG-YUMQZZPRSA-N -1 0 309.326 -0.483 20 0 DBADRM CCC(=O)NC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001053116245 977852606 /nfs/dbraw/zinc/85/26/06/977852606.db2.gz VYSATJJDHZOXNK-RKDXNWHRSA-N -1 0 311.342 -0.690 20 0 DBADRM CC(F)(F)C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053124155 977857185 /nfs/dbraw/zinc/85/71/85/977857185.db2.gz PNOSZUREPPRYBE-UHFFFAOYSA-N -1 0 317.296 -0.421 20 0 DBADRM O=C([C@H]1CCCO1)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053147300 977863203 /nfs/dbraw/zinc/86/32/03/977863203.db2.gz OXPMPQCQQVKULD-SNVBAGLBSA-N -1 0 323.353 -0.898 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2ccncn2)c1[O-] ZINC001528554279 1014436825 /nfs/dbraw/zinc/43/68/25/1014436825.db2.gz MOHMMXXUKQTIPI-UHFFFAOYSA-N -1 0 304.310 -0.284 20 0 DBADRM CCN(c1nnnn1CCN1CCOCC1)C(C)(C)C(=O)[O-] ZINC001596388541 1017133861 /nfs/dbraw/zinc/13/38/61/1017133861.db2.gz YCBXSACVMAHFFN-UHFFFAOYSA-N -1 0 312.374 -0.305 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001596384267 1017133958 /nfs/dbraw/zinc/13/39/58/1017133958.db2.gz PUURPHLXXUIILZ-UHFFFAOYSA-N -1 0 322.383 -0.039 20 0 DBADRM O=C(NC[C@@H]1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)O1)C1CC1 ZINC001053555895 977993829 /nfs/dbraw/zinc/99/38/29/977993829.db2.gz DYKHJFOUPFOCQL-JTQLQIEISA-N -1 0 307.354 -0.230 20 0 DBADRM CC(=O)N[C@H]1COC2(CN(Cc3cc(=O)n4[n-]ccc4n3)C2)C1 ZINC001053707036 978033322 /nfs/dbraw/zinc/03/33/22/978033322.db2.gz YOSVSGZOBUKXNM-GFCCVEGCSA-N -1 0 317.349 -0.498 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1ccoc1 ZINC001053738209 978044634 /nfs/dbraw/zinc/04/46/34/978044634.db2.gz FVOURGXAWYDHDL-SNVBAGLBSA-N -1 0 319.321 -0.123 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1ccon1 ZINC001053746841 978051640 /nfs/dbraw/zinc/05/16/40/978051640.db2.gz NLTPTPDDNBJLDN-MRVPVSSYSA-N -1 0 320.309 -0.728 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)[C@H]1CCOC1 ZINC001053751687 978053631 /nfs/dbraw/zinc/05/36/31/978053631.db2.gz NTZZJYJIENZEHZ-VHSXEESVSA-N -1 0 323.353 -0.994 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)C1CC=CC1 ZINC001053761949 978058857 /nfs/dbraw/zinc/05/88/57/978058857.db2.gz MSBOKJARJBJHDB-NSHDSACASA-N -1 0 319.365 -0.064 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1ncc[nH]1 ZINC001053797629 978080674 /nfs/dbraw/zinc/08/06/74/978080674.db2.gz FNMMNSDDQVVWAM-QMMMGPOBSA-N -1 0 319.325 -0.993 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053893104 978134398 /nfs/dbraw/zinc/13/43/98/978134398.db2.gz KFJLKMOVZPVRIJ-OPRDCNLKSA-N -1 0 307.354 -0.374 20 0 DBADRM CCCC(=O)NC1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001488586113 1014477662 /nfs/dbraw/zinc/47/76/62/1014477662.db2.gz AUIQHDNFZDXARZ-UHFFFAOYSA-N -1 0 309.326 -0.198 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCc1cn[nH]n1 ZINC001208763106 978408675 /nfs/dbraw/zinc/40/86/75/978408675.db2.gz AGBRQHINWFVGSZ-PSASIEDQSA-N -1 0 320.357 -0.802 20 0 DBADRM CCN(CCNC(=O)CCCF)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001529008526 1014502488 /nfs/dbraw/zinc/50/24/88/1014502488.db2.gz MFDAUNYRHSJBTP-UHFFFAOYSA-N -1 0 317.321 -0.596 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001212384693 978654572 /nfs/dbraw/zinc/65/45/72/978654572.db2.gz WVQITZISQZBDGX-QWRGUYRKSA-N -1 0 306.384 -0.069 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC001213913200 978697868 /nfs/dbraw/zinc/69/78/68/978697868.db2.gz XJMROFVGYWTFFE-UHFFFAOYSA-N -1 0 313.339 -0.767 20 0 DBADRM CCN1C[C@H](C)N(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C[C@H]1C ZINC001596396426 1017136372 /nfs/dbraw/zinc/13/63/72/1017136372.db2.gz RXKNZUPNDJXVBX-WOPDTQHZSA-N -1 0 311.382 -0.139 20 0 DBADRM CCOc1cc(C(N)=O)ccc1NC(=O)[C@@H]([NH3+])Cc1nnn[n-]1 ZINC001218816993 978855052 /nfs/dbraw/zinc/85/50/52/978855052.db2.gz YSAXAYMKYUWHHC-QMMMGPOBSA-N -1 0 319.325 -0.794 20 0 DBADRM O=C(C=Cc1ccco1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219115626 978877649 /nfs/dbraw/zinc/87/76/49/978877649.db2.gz DBASCZARHNVMRZ-YHROSDCASA-N -1 0 319.321 -0.522 20 0 DBADRM CC(C)SCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219212732 978894259 /nfs/dbraw/zinc/89/42/59/978894259.db2.gz ZSSYFEKRKMNIHG-BDAKNGLRSA-N -1 0 315.399 -0.687 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1=O ZINC001596401293 1017136850 /nfs/dbraw/zinc/13/68/50/1017136850.db2.gz ATPBSHOYHNHNIE-AEJSXWLSSA-N -1 0 304.368 -0.268 20 0 DBADRM O=C(CCCC1CC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220187942 979131033 /nfs/dbraw/zinc/13/10/33/979131033.db2.gz PZFTVUZTLFYKMY-MNOVXSKESA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(NCCOP(=O)([O-])[O-])[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220221193 979138830 /nfs/dbraw/zinc/13/88/30/979138830.db2.gz UWRXKKVZTPMBAE-MNOVXSKESA-N -1 0 321.314 -0.714 20 0 DBADRM CCCC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CC1 ZINC001220313133 979162043 /nfs/dbraw/zinc/16/20/43/979162043.db2.gz LINRCDRQQBKJPG-ZJUUUORDSA-N -1 0 309.370 -0.248 20 0 DBADRM CC(C)OCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221403869 979413401 /nfs/dbraw/zinc/41/34/01/979413401.db2.gz PCMKJEMZZOIIBQ-GHMZBOCLSA-N -1 0 309.370 -0.032 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCS(=O)(=O)c1ccccc1 ZINC001221424145 979422478 /nfs/dbraw/zinc/42/24/78/979422478.db2.gz AULWWWNODZSYTC-UHFFFAOYSA-N -1 0 315.351 -0.563 20 0 DBADRM COCCC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001222170553 979499373 /nfs/dbraw/zinc/49/93/73/979499373.db2.gz QATADVYGFFCFMP-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM CNC(=O)CC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001222584424 979519212 /nfs/dbraw/zinc/51/92/12/979519212.db2.gz YOVGSPMNDKLABY-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CC(C)(O)CC(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001223051721 979538396 /nfs/dbraw/zinc/53/83/96/979538396.db2.gz OHXYRMWHXPEPST-UHFFFAOYSA-N -1 0 311.386 -0.001 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OCc1cnco1 ZINC001223169949 979539593 /nfs/dbraw/zinc/53/95/93/979539593.db2.gz QSZYOSYPDKRZES-NSHDSACASA-N -1 0 306.340 -0.220 20 0 DBADRM C[NH+]1CCC(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])CC1 ZINC001224454180 979571914 /nfs/dbraw/zinc/57/19/14/979571914.db2.gz OFYPPSXSARZAPL-GXSJLCMTSA-N -1 0 303.311 -0.592 20 0 DBADRM CC(C)NC(=O)CO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001224466430 979572103 /nfs/dbraw/zinc/57/21/03/979572103.db2.gz KDRNUVACRFMLDW-NSHDSACASA-N -1 0 324.399 -0.884 20 0 DBADRM C[NH+]1CCC(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])CC1 ZINC001224454182 979572127 /nfs/dbraw/zinc/57/21/27/979572127.db2.gz OFYPPSXSARZAPL-MWLCHTKSSA-N -1 0 303.311 -0.592 20 0 DBADRM O=C([O-])C[C@H](C(=O)OCCC[NH+]1CCCC1)[C@@H](O)C(=O)[O-] ZINC001224751050 979580561 /nfs/dbraw/zinc/58/05/61/979580561.db2.gz VLKQYJBFNRDLKN-GXSJLCMTSA-N -1 0 303.311 -0.448 20 0 DBADRM O=C([O-])C[C@@H](C(=O)OCCC[NH+]1CCCC1)[C@H](O)C(=O)[O-] ZINC001224751051 979581904 /nfs/dbraw/zinc/58/19/04/979581904.db2.gz VLKQYJBFNRDLKN-KOLCDFICSA-N -1 0 303.311 -0.448 20 0 DBADRM O=c1cc(Cl)nc(O[C@H]2CO[C@@H]3[C@H](O[N+](=O)[O-])CO[C@H]23)[n-]1 ZINC001225558757 979599190 /nfs/dbraw/zinc/59/91/90/979599190.db2.gz HJQOLIDHNWYJSK-TYPSWONNSA-N -1 0 319.657 -0.043 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1ncccc1O ZINC001225650145 979601164 /nfs/dbraw/zinc/60/11/64/979601164.db2.gz DEFCQFAFNOZSFR-JTQLQIEISA-N -1 0 318.351 -0.245 20 0 DBADRM Cc1ccnc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001225634891 979601720 /nfs/dbraw/zinc/60/17/20/979601720.db2.gz RDDKQJPAMAIHCG-NSHDSACASA-N -1 0 317.367 -0.248 20 0 DBADRM COC(=O)[C@H](Oc1c([O-])c(=O)c(=O)c1=O)c1ccccc1F ZINC001225831536 979607823 /nfs/dbraw/zinc/60/78/23/979607823.db2.gz XBBSBHKIFZMFFU-GFCCVEGCSA-N -1 0 308.217 -0.219 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1ncccn1 ZINC001226768665 979649064 /nfs/dbraw/zinc/64/90/64/979649064.db2.gz UQTSWDLFEUHBSK-JTQLQIEISA-N -1 0 303.340 -0.556 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1ncccn1 ZINC001226768666 979649695 /nfs/dbraw/zinc/64/96/95/979649695.db2.gz UQTSWDLFEUHBSK-SNVBAGLBSA-N -1 0 303.340 -0.556 20 0 DBADRM CC(=O)O[C@H]1CO[C@@H]2[C@H](Oc3[n-]c(=O)nc4nc[nH]c43)CO[C@@H]21 ZINC001227074147 979660118 /nfs/dbraw/zinc/66/01/18/979660118.db2.gz UKMZQFMHBKFKCG-MVHNUAHISA-N -1 0 322.277 -0.465 20 0 DBADRM CC(=O)OCC(COC(C)=O)Oc1[n-]c(=O)nc2nc[nH]c21 ZINC001227070694 979660175 /nfs/dbraw/zinc/66/01/75/979660175.db2.gz RCOUVSPRTAATOS-UHFFFAOYSA-N -1 0 310.266 -0.068 20 0 DBADRM O=c1ccc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n[nH]1 ZINC001227094761 979661982 /nfs/dbraw/zinc/66/19/82/979661982.db2.gz KDJUPJSQLDYVLM-SECBINFHSA-N -1 0 319.339 -0.850 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)Nc1ccnc(C(=O)[O-])n1 ZINC001595154953 979662442 /nfs/dbraw/zinc/66/24/42/979662442.db2.gz STOOHVIWDBUYCN-IUCAKERBSA-N -1 0 321.337 -0.818 20 0 DBADRM Cn1cnc2nc(Cl)nc(OC(=O)[C@@H](O)CC(=O)[O-])c21 ZINC001229027180 979676053 /nfs/dbraw/zinc/67/60/53/979676053.db2.gz HYMPQRLVFCSNMZ-BYPYZUCNSA-N -1 0 300.658 -0.242 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001595159570 979676240 /nfs/dbraw/zinc/67/62/40/979676240.db2.gz FIXUPSRDIVKNPU-YIZRAAEISA-N -1 0 321.337 -0.975 20 0 DBADRM O=c1cc[nH]cc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001229509818 979678106 /nfs/dbraw/zinc/67/81/06/979678106.db2.gz OGMWCBJHYNQCPA-JTQLQIEISA-N -1 0 318.351 -0.658 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001595159823 979679089 /nfs/dbraw/zinc/67/90/89/979679089.db2.gz NTUCUZDRYPGHLL-VHSXEESVSA-N -1 0 321.337 -0.240 20 0 DBADRM CC[C@@H](CNC(=O)c1cn(C)cn1)Nc1ccnc(C(=O)[O-])n1 ZINC001595163491 979696945 /nfs/dbraw/zinc/69/69/45/979696945.db2.gz RKRVBXCVUPZSAC-VIFPVBQESA-N -1 0 318.337 -0.049 20 0 DBADRM CC[C@H](CNC(=O)c1ncn(C)n1)Nc1ccnc(C(=O)[O-])n1 ZINC001595163550 979698208 /nfs/dbraw/zinc/69/82/08/979698208.db2.gz QFOCJPRSLSVQDN-MRVPVSSYSA-N -1 0 319.325 -0.654 20 0 DBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)CCOCC2CC2)n1 ZINC001325764539 979716501 /nfs/dbraw/zinc/71/65/01/979716501.db2.gz PIXKDRDZBCSUPY-UHFFFAOYSA-N -1 0 317.371 -0.808 20 0 DBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001325889303 979722008 /nfs/dbraw/zinc/72/20/08/979722008.db2.gz FWDILVZEUSZCAG-UHFFFAOYSA-N -1 0 302.298 -0.332 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1ccccc1OC ZINC001326616993 979746395 /nfs/dbraw/zinc/74/63/95/979746395.db2.gz MROAKPLAORTZGM-UHFFFAOYSA-N -1 0 323.349 -0.462 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CSCCS1 ZINC001326647001 979751117 /nfs/dbraw/zinc/75/11/17/979751117.db2.gz VSUPVXYYAJPDNW-MRVPVSSYSA-N -1 0 321.424 -0.865 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cccc(COC)c1 ZINC001326667700 979753386 /nfs/dbraw/zinc/75/33/86/979753386.db2.gz DPZNHWLLDBMRCT-UHFFFAOYSA-N -1 0 323.349 -0.367 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@H](OC)C1(C)C ZINC001326713540 979759396 /nfs/dbraw/zinc/75/93/96/979759396.db2.gz XKMKDLIMKGEGOZ-BDAKNGLRSA-N -1 0 301.343 -0.900 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCCc1cccs1 ZINC001326712338 979759596 /nfs/dbraw/zinc/75/95/96/979759596.db2.gz MTCCVZSOMIYBAH-UHFFFAOYSA-N -1 0 313.379 -0.019 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)OC[C@H]1CC ZINC001326746784 979762459 /nfs/dbraw/zinc/76/24/59/979762459.db2.gz PREGGGSPQQXMKY-NXEZZACHSA-N -1 0 301.343 -0.804 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC001326748785 979762679 /nfs/dbraw/zinc/76/26/79/979762679.db2.gz CMOOWXYQEUDDOR-NXEZZACHSA-N -1 0 301.343 -0.946 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC001326748736 979763103 /nfs/dbraw/zinc/76/31/03/979763103.db2.gz AOUDYXJXCCPDRY-JTQLQIEISA-N -1 0 323.353 -0.700 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC001326762387 979767135 /nfs/dbraw/zinc/76/71/35/979767135.db2.gz PGKSUWGFXRGADA-SECBINFHSA-N -1 0 307.372 -0.822 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC(c2nncn2C)CC1)C(=O)[O-] ZINC001326847044 979772513 /nfs/dbraw/zinc/77/25/13/979772513.db2.gz OWJSQKWLJXIOAC-SECBINFHSA-N -1 0 323.353 -0.642 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ncnn1C)C(=O)[O-] ZINC001326843943 979772772 /nfs/dbraw/zinc/77/27/72/979772772.db2.gz DAECOHSTBRRMMI-DTWKUNHWSA-N -1 0 311.342 -0.535 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001326970259 979785377 /nfs/dbraw/zinc/78/53/77/979785377.db2.gz FLWZPBCGMKRAML-LBPRGKRZSA-N -1 0 311.382 -0.136 20 0 DBADRM CON1CCC(N(C)C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001327055188 979788247 /nfs/dbraw/zinc/78/82/47/979788247.db2.gz LTNSSLDQKJKSFL-UHFFFAOYSA-N -1 0 301.343 -0.548 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1c1cccnc1 ZINC001327037908 979788256 /nfs/dbraw/zinc/78/82/56/979788256.db2.gz JTJNEZHWMOEFLW-GFCCVEGCSA-N -1 0 320.349 -0.071 20 0 DBADRM CN(Cc1cnccn1)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001327055132 979789184 /nfs/dbraw/zinc/78/91/84/979789184.db2.gz LKLRIAPFGMCJON-VHSXEESVSA-N -1 0 306.322 -0.196 20 0 DBADRM CC(C)(O)CONC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001331171487 979865080 /nfs/dbraw/zinc/86/50/80/979865080.db2.gz STBBEMBDBJGPFX-UHFFFAOYSA-N -1 0 304.324 -0.528 20 0 DBADRM C[C@@H]1C[C@H](CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)[C@@H](C)O1 ZINC001343146791 979923722 /nfs/dbraw/zinc/92/37/22/979923722.db2.gz AVKNBUOURGVRQE-GMTAPVOTSA-N -1 0 313.354 -0.262 20 0 DBADRM CCc1nc2cc(NC(=O)C(=O)[N-]OCC(N)=O)ccc2o1 ZINC001343376656 979942605 /nfs/dbraw/zinc/94/26/05/979942605.db2.gz MSLUOIGUBFIHJV-UHFFFAOYSA-N -1 0 306.278 -0.138 20 0 DBADRM CCN1CC[C@H](n2nnnc2N2CC[C@H](C(=O)[O-])[C@H]2C)C1=O ZINC001596415223 1017138753 /nfs/dbraw/zinc/13/87/53/1017138753.db2.gz MUABOPUDAZTVSM-UTLUCORTSA-N -1 0 308.342 -0.234 20 0 DBADRM O=C(NCCN1C(=O)CNC1=O)c1s[n-]c(=O)c1Cl ZINC001344739741 980007366 /nfs/dbraw/zinc/00/73/66/980007366.db2.gz HASCMVALARYCIU-UHFFFAOYSA-N -1 0 304.715 -0.216 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCc2ncsc2C1 ZINC001344826718 980015037 /nfs/dbraw/zinc/01/50/37/980015037.db2.gz KIYKSKGGFWJHLY-UHFFFAOYSA-N -1 0 309.355 -0.240 20 0 DBADRM COC[C@@H]1CC[C@@H]([C@H]2COCCN2CCOCC(=O)[O-])O1 ZINC001345137326 980033624 /nfs/dbraw/zinc/03/36/24/980033624.db2.gz LLFYDWOIJFBHOM-XQQFMLRXSA-N -1 0 303.355 -0.018 20 0 DBADRM Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001345290488 980045465 /nfs/dbraw/zinc/04/54/65/980045465.db2.gz OSDURNHYKCUJIH-ONGXEEELSA-N -1 0 310.354 -0.010 20 0 DBADRM CCN1CC[C@H](N2C(=O)[C@H]3C[C@H](C(=O)[O-])CCN3C2=O)C1=O ZINC001596409221 1017138866 /nfs/dbraw/zinc/13/88/66/1017138866.db2.gz UXCMYYGUECQTLZ-KXUCPTDWSA-N -1 0 309.322 -0.265 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1ccc(C(=O)NC)cc1 ZINC001345334008 980049028 /nfs/dbraw/zinc/04/90/28/980049028.db2.gz JGIGWEVTUMSBNO-UHFFFAOYSA-N -1 0 323.349 -0.253 20 0 DBADRM CCN1CC[C@H](n2nnnc2N2CC[C@@H](C(=O)[O-])[C@@H]2C)C1=O ZINC001596415216 1017138892 /nfs/dbraw/zinc/13/88/92/1017138892.db2.gz MUABOPUDAZTVSM-AEJSXWLSSA-N -1 0 308.342 -0.234 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)NC[C@@H]1CNC(=O)C1)C(=O)[O-] ZINC001345596401 980066775 /nfs/dbraw/zinc/06/67/75/980066775.db2.gz QDKZSWUZMIMCQT-VIFPVBQESA-N -1 0 313.354 -0.754 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC001346014518 980108819 /nfs/dbraw/zinc/10/88/19/980108819.db2.gz OMZSULUEFUOHAR-UHFFFAOYSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C(NCCc1n[n-]c(=S)o1)[C@@H]1CCc2nnnn2CC1 ZINC001346194659 980119017 /nfs/dbraw/zinc/11/90/17/980119017.db2.gz GISRCAKZEOPAMU-SSDOTTSWSA-N -1 0 309.355 -0.344 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCC[C@H](SC)C1 ZINC001346370594 980135434 /nfs/dbraw/zinc/13/54/34/980135434.db2.gz NCGWOSHNTVMQSJ-UWVGGRQHSA-N -1 0 317.411 -0.039 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC001346383193 980138079 /nfs/dbraw/zinc/13/80/79/980138079.db2.gz CNMHQDLDSQSDOL-GMTAPVOTSA-N -1 0 313.354 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)c1nnc(C)s1 ZINC001346384112 980138145 /nfs/dbraw/zinc/13/81/45/980138145.db2.gz NZZFJUQLPQDRPH-LURJTMIESA-N -1 0 315.355 -0.792 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC001346396089 980140008 /nfs/dbraw/zinc/14/00/08/980140008.db2.gz GWXNNQGLVPOUBU-CMPLNLGQSA-N -1 0 323.324 -0.018 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1c1nncn1C)C(=O)[O-] ZINC001346513945 980146862 /nfs/dbraw/zinc/14/68/62/980146862.db2.gz FJHLNCSJAIPINH-RKDXNWHRSA-N -1 0 309.326 -0.685 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC001346577003 980156756 /nfs/dbraw/zinc/15/67/56/980156756.db2.gz JDDTWZMDLJCXSO-SECBINFHSA-N -1 0 317.367 -0.503 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC001347103696 980198201 /nfs/dbraw/zinc/19/82/01/980198201.db2.gz BQFBNJKZKXTCTA-GWCFXTLKSA-N -1 0 318.395 -0.149 20 0 DBADRM Cn1cc(C(=O)[N-]N2C(=O)N[C@](C)(c3ccccc3)C2=O)nn1 ZINC001347141180 980200112 /nfs/dbraw/zinc/20/01/12/980200112.db2.gz WPCJSEOOSMIVRE-CQSZACIVSA-N -1 0 314.305 -0.073 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)[N-]OC2CCOCC2)CCOC1 ZINC001347233700 980209513 /nfs/dbraw/zinc/20/95/13/980209513.db2.gz HPZJBEKBQGNKQS-ZDUSSCGKSA-N -1 0 302.327 -0.865 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1=O ZINC001347627627 980236790 /nfs/dbraw/zinc/23/67/90/980236790.db2.gz FSZVVTKSHLKSNV-CLAHSXSESA-N -1 0 321.337 -0.424 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2cn(C)nn2)CC[C@H]1C(=O)[O-] ZINC001348306914 980277706 /nfs/dbraw/zinc/27/77/06/980277706.db2.gz ICHDHOZPLUAAIQ-PSASIEDQSA-N -1 0 309.326 -1.000 20 0 DBADRM Cc1nc(C)c(CC(=O)N(CCO)CCOCCO)c(=O)[nH]1 ZINC001348377905 980295347 /nfs/dbraw/zinc/29/53/47/980295347.db2.gz JEAOVSMGMFYAJG-UHFFFAOYSA-N -1 0 313.354 -0.829 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001595278878 980315596 /nfs/dbraw/zinc/31/55/96/980315596.db2.gz KQHMQWZAEIIBQQ-VWYCJHECSA-N -1 0 314.338 -0.234 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@H](C)[C@H]2CCC(=O)N2)c1[O-] ZINC001348788786 980362007 /nfs/dbraw/zinc/36/20/07/980362007.db2.gz NOJSYQFMCARGNA-VXNVDRBHSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2cc(C)nnc2C)c1[O-] ZINC001348790425 980363198 /nfs/dbraw/zinc/36/31/98/980363198.db2.gz ZUUDRYXWKXKXPJ-UHFFFAOYSA-N -1 0 318.337 -0.010 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](OC)CC[C@H]1C ZINC001349426600 980467855 /nfs/dbraw/zinc/46/78/55/980467855.db2.gz AYAMCZYEXBEMEG-NXEZZACHSA-N -1 0 301.343 -0.804 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(OC)OC ZINC001595311718 980473226 /nfs/dbraw/zinc/47/32/26/980473226.db2.gz YCBHEQPUANCMBM-ZCFIWIBFSA-N -1 0 307.328 -0.216 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(OC)OC ZINC001595311717 980473311 /nfs/dbraw/zinc/47/33/11/980473311.db2.gz YCBHEQPUANCMBM-LURJTMIESA-N -1 0 307.328 -0.216 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1C[C@@H](C)O[C@@H]1C ZINC001349736205 980502410 /nfs/dbraw/zinc/50/24/10/980502410.db2.gz PGJODHZZXJBFMM-BBBLOLIVSA-N -1 0 301.343 -0.900 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC([C@H](C)CO)CC1 ZINC001349751975 980505288 /nfs/dbraw/zinc/50/52/88/980505288.db2.gz AGNIVXQMUYDALS-SNVBAGLBSA-N -1 0 315.370 -0.963 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001349755842 980506333 /nfs/dbraw/zinc/50/63/33/980506333.db2.gz VJBYSZBNOMUPFT-GXSJLCMTSA-N -1 0 313.354 -0.804 20 0 DBADRM Cn1cc([C@@H]2[C@@H](C(=O)[N-]OCCC3CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001349890465 980522917 /nfs/dbraw/zinc/52/29/17/980522917.db2.gz DTVWMUORTJJIMQ-JHJVBQTASA-N -1 0 322.365 -0.242 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCSC2)C1 ZINC001349936887 980525544 /nfs/dbraw/zinc/52/55/44/980525544.db2.gz DAXSDKLQEFHXOF-ZANVPECISA-N -1 0 316.379 -0.442 20 0 DBADRM CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001349969700 980528746 /nfs/dbraw/zinc/52/87/46/980528746.db2.gz DFEZHHJVTQRTOD-SRVKXCTJSA-N -1 0 311.382 -0.236 20 0 DBADRM CCN1C[C@@H](C)N(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[C@@H]1C ZINC001349972805 980529365 /nfs/dbraw/zinc/52/93/65/980529365.db2.gz XHVJGZXPPWPCSR-USZNOCQGSA-N -1 0 311.382 -0.093 20 0 DBADRM CC[C@H](O)[C@@H](C)C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001595325664 980533685 /nfs/dbraw/zinc/53/36/85/980533685.db2.gz AIHROPPKPYOFGY-ZJUUUORDSA-N -1 0 321.395 -0.068 20 0 DBADRM CC[C@H](OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC001595331370 980569846 /nfs/dbraw/zinc/56/98/46/980569846.db2.gz CIHWOUFAKAQLGY-QMMMGPOBSA-N -1 0 318.307 -0.738 20 0 DBADRM CN1CC[C@](C)(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)C1=O ZINC001350429062 980571501 /nfs/dbraw/zinc/57/15/01/980571501.db2.gz NFUIHOUTFOLFGJ-YGRLFVJLSA-N -1 0 306.370 -0.151 20 0 DBADRM CN1CC[C@@](C)(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)C1=O ZINC001350429060 980571573 /nfs/dbraw/zinc/57/15/73/980571573.db2.gz NFUIHOUTFOLFGJ-IINYFYTJSA-N -1 0 306.370 -0.151 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CCN(CC(=O)N2CCCC2)CC1)C1CC1 ZINC001350422202 980571712 /nfs/dbraw/zinc/57/17/12/980571712.db2.gz HXKYWMCKWQQRTF-AWEZNQCLSA-N -1 0 323.393 -0.136 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@@](C)(CCF)C(=O)[O-])nn1 ZINC001595332540 980580505 /nfs/dbraw/zinc/58/05/05/980580505.db2.gz XDKZXPGFFUDTBT-UFBFGSQYSA-N -1 0 302.306 -0.018 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])nn1 ZINC001595332655 980580968 /nfs/dbraw/zinc/58/09/68/980580968.db2.gz YMDWVHKGKAKMNX-ZJUUUORDSA-N -1 0 322.325 -0.802 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@@H](OC)C(=O)[O-])C[C@@H]1C ZINC001350612903 980588417 /nfs/dbraw/zinc/58/84/17/980588417.db2.gz VFBZOXOKFCUJFL-GXSJLCMTSA-N -1 0 302.327 -0.818 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC001351361815 980644644 /nfs/dbraw/zinc/64/46/44/980644644.db2.gz BZZBYIPULVFYJK-LBPRGKRZSA-N -1 0 320.349 -0.917 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCN(C)C(=O)Cc2cnc[nH]2)c1[O-] ZINC001351385060 980646262 /nfs/dbraw/zinc/64/62/62/980646262.db2.gz OPDIOZPLDAGTMN-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM COCCCn1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cn1 ZINC001351382592 980646457 /nfs/dbraw/zinc/64/64/57/980646457.db2.gz XSNXYBJHXZYHRQ-LLVKDONJSA-N -1 0 321.341 -0.354 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cc(C2CCOCC2)nn1C)C(=O)[O-] ZINC001351479160 980657994 /nfs/dbraw/zinc/65/79/94/980657994.db2.gz FKDYZMJPQALAEM-QMMMGPOBSA-N -1 0 324.337 -0.158 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCCNC(=O)Cn2ccnc2)c1[O-] ZINC001351654929 980678221 /nfs/dbraw/zinc/67/82/21/980678221.db2.gz VOMOSSNPJIAXHC-UHFFFAOYSA-N -1 0 320.353 -0.101 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C(C)(F)F ZINC001351762279 980687604 /nfs/dbraw/zinc/68/76/04/980687604.db2.gz ZBTLFONBRKQVFY-UHFFFAOYSA-N -1 0 319.268 -0.484 20 0 DBADRM CN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C(C)(F)F ZINC001351787809 980688903 /nfs/dbraw/zinc/68/89/03/980688903.db2.gz SRGLOAPBTNQOMS-UHFFFAOYSA-N -1 0 321.284 -0.691 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H](C)c1ccncc1 ZINC001352346883 980722521 /nfs/dbraw/zinc/72/25/21/980722521.db2.gz KSWUNYUEQDOSSU-JTQLQIEISA-N -1 0 308.338 -0.515 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NC[C@@H]1C=CCC1)C2 ZINC001353228654 980790943 /nfs/dbraw/zinc/79/09/43/980790943.db2.gz RNQCSXRHCLTYAU-UEKVPHQBSA-N -1 0 308.334 -0.372 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001353438622 980804470 /nfs/dbraw/zinc/80/44/70/980804470.db2.gz UYGYPHKKXSEKJP-VXGBXAGGSA-N -1 0 307.350 -0.046 20 0 DBADRM COCCO[C@@H](C)C(=O)N1CC(NC(=O)c2ncccc2O)C1 ZINC001530410865 1014685499 /nfs/dbraw/zinc/68/54/99/1014685499.db2.gz WDVMDBUYXYZZHZ-JTQLQIEISA-N -1 0 323.349 -0.221 20 0 DBADRM COCCOCCN1CCN(C(=O)c2c[n-]ncc2=O)CC1 ZINC001353725361 980816122 /nfs/dbraw/zinc/81/61/22/980816122.db2.gz JVNMKJUHUCOCHC-UHFFFAOYSA-N -1 0 310.354 -0.397 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(CCn2cncn2)CC1 ZINC001354083952 980831935 /nfs/dbraw/zinc/83/19/35/980831935.db2.gz SBNOWJBAKGGFNK-GFCCVEGCSA-N -1 0 309.370 -0.221 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCN(CCOC)CC1)C(=O)[O-] ZINC001354272115 980841687 /nfs/dbraw/zinc/84/16/87/980841687.db2.gz ZUCMOAZURMXNDX-LLVKDONJSA-N -1 0 315.370 -0.996 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC001354413053 980850301 /nfs/dbraw/zinc/85/03/01/980850301.db2.gz BZYPHBQLSCYQEI-UHFFFAOYSA-N -1 0 323.324 -0.233 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001354879315 980876488 /nfs/dbraw/zinc/87/64/88/980876488.db2.gz FNRNJAMHOMATJR-HTQZYQBOSA-N -1 0 314.260 -0.093 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2cc(OC)ccc2C1 ZINC001354971431 980881193 /nfs/dbraw/zinc/88/11/93/980881193.db2.gz YWENOJVLORREBM-UHFFFAOYSA-N -1 0 321.333 -0.626 20 0 DBADRM CC/C(C)=C/C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001355791713 980911870 /nfs/dbraw/zinc/91/18/70/980911870.db2.gz QDRQXJAXQFNZPG-VQHVLOKHSA-N -1 0 311.342 -0.380 20 0 DBADRM CCN(CCNC(=O)C=C1CCC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001356024677 980920882 /nfs/dbraw/zinc/92/08/82/980920882.db2.gz KVRHMEFKQBFXLG-UHFFFAOYSA-N -1 0 323.353 -0.236 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)/C=C/C1CC1 ZINC001356910313 981011417 /nfs/dbraw/zinc/01/14/17/981011417.db2.gz WIXWYXQWCVVBBT-PORFMDCZSA-N -1 0 323.353 -0.334 20 0 DBADRM CC(=O)N(C)CC(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001357593749 981072798 /nfs/dbraw/zinc/07/27/98/981072798.db2.gz MTCCAYRXDCWDSF-SNAWJCMRSA-N -1 0 323.353 -0.696 20 0 DBADRM CC[C@@H](F)C(=O)NC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001357990552 981105215 /nfs/dbraw/zinc/10/52/15/981105215.db2.gz XTWMRMZFQIIYTL-TUUFMJSCSA-N -1 0 315.305 -0.774 20 0 DBADRM C[C@H](CNC(=O)C[C@H]1C=CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001358298204 981122383 /nfs/dbraw/zinc/12/23/83/981122383.db2.gz NCAQUDKLHQUYGS-ZJUUUORDSA-N -1 0 323.353 -0.334 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@H]2CCCNC2=O)c1[O-] ZINC001358498587 981130557 /nfs/dbraw/zinc/13/05/57/981130557.db2.gz WNQDZZCQDULNDK-CBAPKCEASA-N -1 0 323.353 -0.816 20 0 DBADRM C[C@@H](CNC(=O)c1ncccc1O)NC(=O)[C@H]1CCN(C)C1=O ZINC001358535482 981136867 /nfs/dbraw/zinc/13/68/67/981136867.db2.gz TXDQDMPCEHRFSU-VHSXEESVSA-N -1 0 320.349 -0.500 20 0 DBADRM C/C=C(/C)C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001358654852 981162894 /nfs/dbraw/zinc/16/28/94/981162894.db2.gz DCVJJDUPWVAINI-CLTKARDFSA-N -1 0 307.310 -0.372 20 0 DBADRM CCN1CC[C@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1=O ZINC001596409881 1017139829 /nfs/dbraw/zinc/13/98/29/1017139829.db2.gz RFKYIEYETZGVMM-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM COc1ccnc(N(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001361355440 981215612 /nfs/dbraw/zinc/21/56/12/981215612.db2.gz SDDQDYGVEZPAMA-UHFFFAOYSA-N -1 0 315.293 -0.467 20 0 DBADRM CN(C(=O)CN1c2ccccc2OCCC1=O)c1nnn[n-]1 ZINC001361435015 981232584 /nfs/dbraw/zinc/23/25/84/981232584.db2.gz CZXINHTWRNKYIO-UHFFFAOYSA-N -1 0 302.294 -0.022 20 0 DBADRM C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ncn(C)n1 ZINC001361514751 981247608 /nfs/dbraw/zinc/24/76/08/981247608.db2.gz LKYOVCPDLBCMDV-ZETCQYMHSA-N -1 0 302.298 -0.923 20 0 DBADRM CCCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H](C)C(=O)OC ZINC001361540723 981253301 /nfs/dbraw/zinc/25/33/01/981253301.db2.gz JPOSZNJFWDOBMN-VIFPVBQESA-N -1 0 321.337 -0.129 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1=O ZINC001361552421 981258169 /nfs/dbraw/zinc/25/81/69/981258169.db2.gz XVBPIVGVFHIRCD-SNVBAGLBSA-N -1 0 315.395 -0.322 20 0 DBADRM CCOC(=O)[C@@H]1CSCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001361586333 981265325 /nfs/dbraw/zinc/26/53/25/981265325.db2.gz DKJSAJWCHZWRIN-LURJTMIESA-N -1 0 314.323 -0.597 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1COc2ccccc2O1 ZINC001361622775 981276306 /nfs/dbraw/zinc/27/63/06/981276306.db2.gz PNBBNBUWXZZVHY-QMMMGPOBSA-N -1 0 306.278 -0.355 20 0 DBADRM CCCN(C(=O)CCCc1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC001361623452 981278033 /nfs/dbraw/zinc/27/80/33/981278033.db2.gz PCTWFNNRDFMSAT-JTQLQIEISA-N -1 0 315.399 -0.052 20 0 DBADRM Cc1nc(C)c(CC(=O)Nc2ccn(CC(N)=O)n2)c(=O)[nH]1 ZINC001361675652 981294982 /nfs/dbraw/zinc/29/49/82/981294982.db2.gz ZMLFOWPTDQQUIP-UHFFFAOYSA-N -1 0 304.310 -0.338 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001361707577 981303278 /nfs/dbraw/zinc/30/32/78/981303278.db2.gz OPMKJTHVKKLUKH-QMMMGPOBSA-N -1 0 309.326 -0.794 20 0 DBADRM O=C(CCc1nnn[n-]1)NCc1ccc(N2CCOCC2)nc1 ZINC001361756214 981313155 /nfs/dbraw/zinc/31/31/55/981313155.db2.gz YURGSEJPTZBUJV-UHFFFAOYSA-N -1 0 317.353 -0.320 20 0 DBADRM Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)NCc1nnn[n-]1 ZINC001361760989 981315837 /nfs/dbraw/zinc/31/58/37/981315837.db2.gz JLNFFEBZBRJKRK-UHFFFAOYSA-N -1 0 307.314 -0.182 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1nnc2n1CCCCC2 ZINC001361769648 981316962 /nfs/dbraw/zinc/31/69/62/981316962.db2.gz CMCFAHINTFXFLF-UHFFFAOYSA-N -1 0 307.314 -0.676 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CCC2(C1)OCCO2 ZINC001361780399 981319683 /nfs/dbraw/zinc/31/96/83/981319683.db2.gz WBCNXFQOJKRKEY-SECBINFHSA-N -1 0 319.321 -0.517 20 0 DBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N(C)c1nnn[n-]1 ZINC001361799795 981327391 /nfs/dbraw/zinc/32/73/91/981327391.db2.gz CHPJAOGWRJFJPC-VIFPVBQESA-N -1 0 316.387 -0.243 20 0 DBADRM O=C(CNC(=O)c1n[nH]c(=O)[n-]c1=O)NCc1ccccc1 ZINC001361802377 981329129 /nfs/dbraw/zinc/32/91/29/981329129.db2.gz IXFCTVSHJMSKIU-UHFFFAOYSA-N -1 0 303.278 -0.671 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)C[C@@H]2CCNC2=O)s1 ZINC001361841729 981339333 /nfs/dbraw/zinc/33/93/33/981339333.db2.gz IWWPSOXGDWDHDX-YFKPBYRVSA-N -1 0 319.368 -0.626 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001361844954 981339856 /nfs/dbraw/zinc/33/98/56/981339856.db2.gz OKLSIKROVKBYGD-QMMMGPOBSA-N -1 0 324.366 -0.762 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001361857198 981341613 /nfs/dbraw/zinc/34/16/13/981341613.db2.gz QVABWAVEUAHHRJ-QMMMGPOBSA-N -1 0 304.310 -0.244 20 0 DBADRM Cc1nsc(N2CCN(C(=O)CCc3nnn[n-]3)CC2)n1 ZINC001361859099 981343729 /nfs/dbraw/zinc/34/37/29/981343729.db2.gz FMSWKHPSGJANQS-UHFFFAOYSA-N -1 0 308.371 -0.359 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@]12CCC[C@H]1OCC2 ZINC001361866730 981344523 /nfs/dbraw/zinc/34/45/23/981344523.db2.gz LHHZQWHPDLLWLO-YGRLFVJLSA-N -1 0 303.322 -0.101 20 0 DBADRM C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)c1nnc2n1CCC2 ZINC001361891163 981351827 /nfs/dbraw/zinc/35/18/27/981351827.db2.gz UDVQMDUSFQQPKR-QMMMGPOBSA-N -1 0 321.341 -0.115 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)CCc2nnn[n-]2)n1 ZINC001361917335 981359951 /nfs/dbraw/zinc/35/99/51/981359951.db2.gz MCMRXHGYCJBVGF-UHFFFAOYSA-N -1 0 313.343 -0.988 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CCS(=O)CC1 ZINC001361923232 981362251 /nfs/dbraw/zinc/36/22/51/981362251.db2.gz JJZNITNJMCHDKL-UHFFFAOYSA-N -1 0 322.346 -0.529 20 0 DBADRM O=C(c1cc2n(n1)CCCC2)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001361924396 981362582 /nfs/dbraw/zinc/36/25/82/981362582.db2.gz NDDYPVUPMSNJET-LLVKDONJSA-N -1 0 303.326 -0.054 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001361939482 981366547 /nfs/dbraw/zinc/36/65/47/981366547.db2.gz FZCAAUXDPPZREZ-MRVPVSSYSA-N -1 0 301.372 -0.561 20 0 DBADRM CCOC(=O)N1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001361954007 981371690 /nfs/dbraw/zinc/37/16/90/981371690.db2.gz UFKQCFCUQHIQLN-UHFFFAOYSA-N -1 0 313.314 -0.620 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C(=O)CCCc1nnn[n-]1)C1CC1 ZINC001361963975 981374080 /nfs/dbraw/zinc/37/40/80/981374080.db2.gz QZOMLRQNMOFNOE-VIFPVBQESA-N -1 0 315.399 -0.054 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C(=O)CCCc1nnn[n-]1)C1CC1 ZINC001361963970 981374733 /nfs/dbraw/zinc/37/47/33/981374733.db2.gz QZOMLRQNMOFNOE-SECBINFHSA-N -1 0 315.399 -0.054 20 0 DBADRM CN(C1CCN(C(=O)c2c[n-]ncc2=O)CC1)S(C)(=O)=O ZINC001361976507 981376501 /nfs/dbraw/zinc/37/65/01/981376501.db2.gz VGFOGBNQLABZPK-UHFFFAOYSA-N -1 0 314.367 -0.322 20 0 DBADRM CN(C)C(=O)[C@H]1CSCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001361973623 981377276 /nfs/dbraw/zinc/37/72/76/981377276.db2.gz HIZHBJWHGFYXLW-ZCFIWIBFSA-N -1 0 317.396 -0.408 20 0 DBADRM CN(C)C(=O)[C@H]1CSCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001361973586 981377388 /nfs/dbraw/zinc/37/73/88/981377388.db2.gz HCBDUSKTJSKQTO-SECBINFHSA-N -1 0 321.362 -0.374 20 0 DBADRM COC(=O)[C@H](C)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362011435 981385870 /nfs/dbraw/zinc/38/58/70/981385870.db2.gz QOJFFGKWSGIKFY-MRVPVSSYSA-N -1 0 320.305 -0.195 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NC3CC3)c(CCO)c2=O)n1 ZINC001362018678 981389149 /nfs/dbraw/zinc/38/91/49/981389149.db2.gz XPHRLPMQQKYGIN-UHFFFAOYSA-N -1 0 317.349 -0.001 20 0 DBADRM COC(=O)[C@@](C)(NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1 ZINC001362030124 981391935 /nfs/dbraw/zinc/39/19/35/981391935.db2.gz JWZGNZNBTJDGQB-AWEZNQCLSA-N -1 0 320.305 -0.106 20 0 DBADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CCNC(=O)CO ZINC001362050915 981400032 /nfs/dbraw/zinc/40/00/32/981400032.db2.gz UFAMBMKSPQVQAG-UHFFFAOYSA-N -1 0 324.362 -0.146 20 0 DBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362065072 981406704 /nfs/dbraw/zinc/40/67/04/981406704.db2.gz SOJXUARTOFGWSO-HTQZYQBOSA-N -1 0 311.346 -0.817 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362066862 981407652 /nfs/dbraw/zinc/40/76/52/981407652.db2.gz XTPQSTARNPYZHY-SECBINFHSA-N -1 0 317.371 -0.686 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362087751 981415360 /nfs/dbraw/zinc/41/53/60/981415360.db2.gz FXPLFYJMVLOWDG-ONGXEEELSA-N -1 0 305.342 -0.288 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC[C@H](N2CCNC2=O)C1 ZINC001362097319 981418673 /nfs/dbraw/zinc/41/86/73/981418673.db2.gz FJMMXENIWTWEMB-JTQLQIEISA-N -1 0 307.358 -0.461 20 0 DBADRM COC(=O)[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1 ZINC001362110058 981424201 /nfs/dbraw/zinc/42/42/01/981424201.db2.gz IYMBOHHRFXPDRC-SNVBAGLBSA-N -1 0 320.305 -0.238 20 0 DBADRM Cn1cc([C@@H]2C[C@H]2C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cn1 ZINC001362121020 981427822 /nfs/dbraw/zinc/42/78/22/981427822.db2.gz CNTIWFRSLYBGHW-AXFHLTTASA-N -1 0 303.326 -0.363 20 0 DBADRM CC(=O)N[C@@](C)(C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)C(C)C ZINC001362122424 981428920 /nfs/dbraw/zinc/42/89/20/981428920.db2.gz GNCWNFDWZHBBTM-ZWNOBZJWSA-N -1 0 310.358 -0.350 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)CCCc3nnn[n-]3)C2=O)cn1 ZINC001362127521 981430606 /nfs/dbraw/zinc/43/06/06/981430606.db2.gz HGHYOCJSNXAZRZ-SNVBAGLBSA-N -1 0 318.341 -0.822 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001362128872 981430856 /nfs/dbraw/zinc/43/08/56/981430856.db2.gz CNZRXGVUSFOFQC-MRVPVSSYSA-N -1 0 312.351 -0.472 20 0 DBADRM CC(C)COC[C@H](O)CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362131797 981432670 /nfs/dbraw/zinc/43/26/70/981432670.db2.gz SUDHWUOVEKRGHJ-MRVPVSSYSA-N -1 0 304.372 -0.248 20 0 DBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)CCc1nnn[n-]1 ZINC001362130972 981432830 /nfs/dbraw/zinc/43/28/30/981432830.db2.gz SITDQAAGOOZICH-VIFPVBQESA-N -1 0 305.385 -0.922 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@H](O)COCC1CC1 ZINC001362140316 981435467 /nfs/dbraw/zinc/43/54/67/981435467.db2.gz GUMWSDDVBPUSGJ-QMMMGPOBSA-N -1 0 313.310 -0.586 20 0 DBADRM Cc1cc([C@@](C)(O)CNC(=O)Cn2c(=O)[n-][nH]c2=O)c(C)o1 ZINC001362143694 981437359 /nfs/dbraw/zinc/43/73/59/981437359.db2.gz QXBBNXGQHXYOMA-ZDUSSCGKSA-N -1 0 310.310 -0.077 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC(=O)Nc2cnccc21 ZINC001362143523 981437872 /nfs/dbraw/zinc/43/78/72/981437872.db2.gz RHZQLRJLDUFUHF-UHFFFAOYSA-N -1 0 317.261 -0.110 20 0 DBADRM CNC(=O)[C@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001362148306 981439687 /nfs/dbraw/zinc/43/96/87/981439687.db2.gz RYPHUIMIAAKMKU-VIFPVBQESA-N -1 0 303.322 -0.379 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)NCc1ccccc1 ZINC001362151900 981440415 /nfs/dbraw/zinc/44/04/15/981440415.db2.gz OOPFZVKLGRCRHM-VIFPVBQESA-N -1 0 319.321 -0.490 20 0 DBADRM C[C@@H](CC[S@@](C)=O)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362171776 981448251 /nfs/dbraw/zinc/44/82/51/981448251.db2.gz IEKYXBIJIHYJCD-GTUYJWLHSA-N -1 0 322.394 -0.038 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)c2c[n-]n3c2nccc3=O)CCS1(=O)=O ZINC001362190328 981454605 /nfs/dbraw/zinc/45/46/05/981454605.db2.gz ZQGXQZIYNSYQSC-DTWKUNHWSA-N -1 0 324.362 -0.330 20 0 DBADRM CN1C[C@@H](C(=O)Nc2ccc(OCc3nnn[n-]3)cc2)NC1=O ZINC001362189602 981454780 /nfs/dbraw/zinc/45/47/80/981454780.db2.gz OPNAFLFUNMMPJX-JTQLQIEISA-N -1 0 317.309 -0.259 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362208153 981461685 /nfs/dbraw/zinc/46/16/85/981461685.db2.gz LJPXAXZIMVPUPT-VIFPVBQESA-N -1 0 317.353 -0.116 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@@H](C(=O)NCc2n[nH]c(=O)[n-]2)C1 ZINC001362216806 981465837 /nfs/dbraw/zinc/46/58/37/981465837.db2.gz YWCYUZCBORRQHY-SECBINFHSA-N -1 0 305.298 -0.638 20 0 DBADRM O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362246916 981479844 /nfs/dbraw/zinc/47/98/44/981479844.db2.gz ROOLKRZKIKZDKO-BDAKNGLRSA-N -1 0 313.339 -0.952 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN2C(=O)OCC[C@@H]2C1 ZINC001362250047 981481917 /nfs/dbraw/zinc/48/19/17/981481917.db2.gz VEISXBXPZDHBSS-SSDOTTSWSA-N -1 0 313.339 -0.345 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCSC[C@@H]1CCO ZINC001362259220 981486160 /nfs/dbraw/zinc/48/61/60/981486160.db2.gz CFPKGSMDGYWPEC-VIFPVBQESA-N -1 0 308.363 -0.037 20 0 DBADRM COc1cc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc(OC)c1O ZINC001362264146 981488343 /nfs/dbraw/zinc/48/83/43/981488343.db2.gz SQZZKDKADGKCKC-UHFFFAOYSA-N -1 0 324.293 -0.272 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1ccc(CN2CCOCC2)o1 ZINC001362271390 981490742 /nfs/dbraw/zinc/49/07/42/981490742.db2.gz ROPMUAKYTZRUSD-UHFFFAOYSA-N -1 0 308.294 -0.282 20 0 DBADRM Cc1c(C(=O)[N-]N2CCCNC2=O)nnn1-c1cnn(C)c1 ZINC001362278124 981494587 /nfs/dbraw/zinc/49/45/87/981494587.db2.gz RXDDUOZRUHYCKC-UHFFFAOYSA-N -1 0 304.314 -0.631 20 0 DBADRM O=C(N[C@H](CO)[C@@H]1CCOC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001362288836 981499009 /nfs/dbraw/zinc/49/90/09/981499009.db2.gz QWCTUPGADADJPF-GMSGAONNSA-N -1 0 320.305 -0.437 20 0 DBADRM O=C(N[C@@H](CO)[C@H]1CCOC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001362288862 981499375 /nfs/dbraw/zinc/49/93/75/981499375.db2.gz QWCTUPGADADJPF-XVKPBYJWSA-N -1 0 320.305 -0.437 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(OC[C@H]2CCOC2)CC1 ZINC001362311522 981509144 /nfs/dbraw/zinc/50/91/44/981509144.db2.gz NYMCXSCQMNPFJM-VIFPVBQESA-N -1 0 324.337 -0.060 20 0 DBADRM CNC(=O)CCCN(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362316147 981510642 /nfs/dbraw/zinc/51/06/42/981510642.db2.gz RCERHTZTPYYQRN-UHFFFAOYSA-N -1 0 317.353 -0.327 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1COCCN1CC(F)F)c1nnn[n-]1 ZINC001362323858 981513779 /nfs/dbraw/zinc/51/37/79/981513779.db2.gz JUXFRVGSCDZKNY-DTWKUNHWSA-N -1 0 318.328 -0.273 20 0 DBADRM C[C@H](O)C[C@@H]1COCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362327788 981514727 /nfs/dbraw/zinc/51/47/27/981514727.db2.gz UADASERHHIDHSG-JGVFFNPUSA-N -1 0 302.356 -0.399 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001362333944 981518475 /nfs/dbraw/zinc/51/84/75/981518475.db2.gz LSBBQEQNZYGUSJ-WDEREUQCSA-N -1 0 311.363 -0.233 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C[C@H]1CCCC[C@@H]1O ZINC001362337111 981519590 /nfs/dbraw/zinc/51/95/90/981519590.db2.gz RXSJEYJQEXQCMR-ZJUUUORDSA-N -1 0 306.384 -0.490 20 0 DBADRM COC(=O)Cc1cccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001362338932 981521108 /nfs/dbraw/zinc/52/11/08/981521108.db2.gz LORLKEGROXRSEB-UHFFFAOYSA-N -1 0 307.266 -0.562 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnn(C(F)F)c1 ZINC001362354904 981528251 /nfs/dbraw/zinc/52/82/51/981528251.db2.gz ZWSPMVGDKRWLJB-UHFFFAOYSA-N -1 0 310.282 -0.526 20 0 DBADRM Cn1[n-]c(C(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)cc1=O ZINC001362357264 981529892 /nfs/dbraw/zinc/52/98/92/981529892.db2.gz HMYOLMJWNSYPNV-UHFFFAOYSA-N -1 0 319.325 -0.834 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@@]12CCOC2=O ZINC001362369573 981534498 /nfs/dbraw/zinc/53/44/98/981534498.db2.gz RXEDVJCSIKLKRX-ZDUSSCGKSA-N -1 0 310.310 -0.222 20 0 DBADRM C[C@H]1C[C@H](NC(=O)CCc2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC001362372371 981535935 /nfs/dbraw/zinc/53/59/35/981535935.db2.gz FIEAHHTYSVYXMG-WPRPVWTQSA-N -1 0 318.341 -0.824 20 0 DBADRM CO[C@H](C(=O)N1CCC(O)(c2nnn[n-]2)CC1)[C@H]1CCOC1 ZINC001362388941 981543422 /nfs/dbraw/zinc/54/34/22/981543422.db2.gz OURNRYAUAQAQHY-UWVGGRQHSA-N -1 0 311.342 -0.939 20 0 DBADRM NC(=O)C[C@H](NC(=O)CCCc1nnn[n-]1)C1CCOCC1 ZINC001362395119 981546045 /nfs/dbraw/zinc/54/60/45/981546045.db2.gz KJLFGOZIAVOCCS-JTQLQIEISA-N -1 0 310.358 -0.691 20 0 DBADRM C[C@H]1[C@H](CO)CCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362399405 981548357 /nfs/dbraw/zinc/54/83/57/981548357.db2.gz HDRKLOJQJVDMDS-ONGXEEELSA-N -1 0 302.338 -0.082 20 0 DBADRM Cn1nc2c(c1C(=O)NCCc1nc(=O)o[n-]1)CSCC2 ZINC001362403290 981549614 /nfs/dbraw/zinc/54/96/14/981549614.db2.gz UKQWEDAZFYRKSJ-UHFFFAOYSA-N -1 0 309.351 -0.142 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362403760 981551133 /nfs/dbraw/zinc/55/11/33/981551133.db2.gz CCYFCRJHAOXZAC-YUMQZZPRSA-N -1 0 313.387 -0.491 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC001362415166 981559639 /nfs/dbraw/zinc/55/96/39/981559639.db2.gz VVFIZCNBRSCSBM-SNVBAGLBSA-N -1 0 324.337 -0.324 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@H](CO)[C@H]2CCOC2)cc1=O ZINC001362427743 981563975 /nfs/dbraw/zinc/56/39/75/981563975.db2.gz WIYBLBWVDMXKPU-WCQYABFASA-N -1 0 311.382 -0.112 20 0 DBADRM NC(=O)[C@H](CO)NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001362429503 981565984 /nfs/dbraw/zinc/56/59/84/981565984.db2.gz GHHQZEFGTCGVIX-VIFPVBQESA-N -1 0 324.724 -0.193 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](N2CCOCC2)C1 ZINC001362451789 981576823 /nfs/dbraw/zinc/57/68/23/981576823.db2.gz CDFCXGUWJGERIW-SNVBAGLBSA-N -1 0 311.342 -0.988 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@@H](C)CC(N)=O)cc2=O)n1 ZINC001362456702 981580062 /nfs/dbraw/zinc/58/00/62/981580062.db2.gz WXDVDTQHRKOKJU-VIFPVBQESA-N -1 0 318.337 -0.434 20 0 DBADRM Cc1nc([C@H]2COCCN2C(=O)CCCc2nnn[n-]2)no1 ZINC001362467528 981584723 /nfs/dbraw/zinc/58/47/23/981584723.db2.gz YJSAVVSLIZPRSH-SECBINFHSA-N -1 0 307.314 -0.186 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC001362471273 981588738 /nfs/dbraw/zinc/58/87/38/981588738.db2.gz JUYONKGNOMEXFM-NXEZZACHSA-N -1 0 313.383 -0.300 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001362481369 981594026 /nfs/dbraw/zinc/59/40/26/981594026.db2.gz RWOMFRUOIPQXAE-MRVPVSSYSA-N -1 0 303.326 -0.142 20 0 DBADRM CCS(=O)(=O)C1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001362485694 981596632 /nfs/dbraw/zinc/59/66/32/981596632.db2.gz UTXQCYNUYFGKKA-UHFFFAOYSA-N -1 0 316.339 -0.678 20 0 DBADRM CCOC(=O)[C@@H](F)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001362494972 981600757 /nfs/dbraw/zinc/60/07/57/981600757.db2.gz UODKCVGCBOVTOZ-LURJTMIESA-N -1 0 300.246 -0.744 20 0 DBADRM COc1cc(OC)nc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)n1 ZINC001362499311 981601451 /nfs/dbraw/zinc/60/14/51/981601451.db2.gz NCROTTOHJCSHAD-SSDOTTSWSA-N -1 0 307.314 -0.117 20 0 DBADRM C[C@@H](CN(C)C(=O)C[C@@]1(C)CCS(=O)(=O)N1)c1nnn[n-]1 ZINC001362504731 981605205 /nfs/dbraw/zinc/60/52/05/981605205.db2.gz XQGMAJXULJABRK-GZMMTYOYSA-N -1 0 316.387 -0.767 20 0 DBADRM CN1C[C@H](C(=O)Nn2c(=O)[n-][nH]c2=O)c2ccccc2C1=O ZINC001362506466 981606207 /nfs/dbraw/zinc/60/62/07/981606207.db2.gz WWGIOEFPMKUVLG-VIFPVBQESA-N -1 0 303.278 -0.371 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCc2nc(=O)o[n-]2)C1 ZINC001362522838 981621512 /nfs/dbraw/zinc/62/15/12/981621512.db2.gz GBSJAXREIPIRPJ-MRVPVSSYSA-N -1 0 312.326 -0.747 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCSC[C@@H]1CCO ZINC001362520345 981622137 /nfs/dbraw/zinc/62/21/37/981622137.db2.gz MYXAASFLGVKULA-ZETCQYMHSA-N -1 0 304.397 -0.071 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCCC1 ZINC001362521397 981622364 /nfs/dbraw/zinc/62/23/64/981622364.db2.gz KQCXPSRLVAGZOL-UHFFFAOYSA-N -1 0 318.355 -0.837 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)n1 ZINC001362560528 981682969 /nfs/dbraw/zinc/68/29/69/981682969.db2.gz FNOZHBCYIOMKCH-SECBINFHSA-N -1 0 319.325 -0.411 20 0 DBADRM CNc1cnc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cn1 ZINC001362564647 981684960 /nfs/dbraw/zinc/68/49/60/981684960.db2.gz ZENOOKFTAYOADM-UHFFFAOYSA-N -1 0 304.314 -0.845 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(C(F)F)n[nH]1 ZINC001362564815 981687673 /nfs/dbraw/zinc/68/76/73/981687673.db2.gz BNSAKCRIJFZXBH-UHFFFAOYSA-N -1 0 310.282 -0.457 20 0 DBADRM Cc1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c(=O)[nH]1 ZINC001362563474 981687791 /nfs/dbraw/zinc/68/77/91/981687791.db2.gz ROOPQZIQISUOIK-UHFFFAOYSA-N -1 0 304.310 -0.267 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCOC[C@]12CCOC2 ZINC001362563250 981688692 /nfs/dbraw/zinc/68/86/92/981688692.db2.gz SULQEYGENRNDHM-CQSZACIVSA-N -1 0 304.306 -0.346 20 0 DBADRM CO[C@@H](C(=O)N1CCC(O)(c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001362563839 981689683 /nfs/dbraw/zinc/68/96/83/981689683.db2.gz VHUUTIBKHAFZLA-SNVBAGLBSA-N -1 0 321.341 -0.869 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC001362569580 981702481 /nfs/dbraw/zinc/70/24/81/981702481.db2.gz IUWDFNWIVMWWTG-UWVGGRQHSA-N -1 0 313.383 -0.300 20 0 DBADRM COC[C@H](O)CNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001362574596 981713997 /nfs/dbraw/zinc/71/39/97/981713997.db2.gz YKJDRDMGXPIKFY-SNVBAGLBSA-N -1 0 321.337 -0.690 20 0 DBADRM CC(C)(C)[C@H](NC(=O)CCNC(=O)CO)c1nc(=O)o[n-]1 ZINC001362592474 981737645 /nfs/dbraw/zinc/73/76/45/981737645.db2.gz SWNUATKOVLVUHR-SECBINFHSA-N -1 0 300.315 -0.935 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)[N-]N2CCCNC2=O)c(Cl)o1 ZINC001362606706 981750910 /nfs/dbraw/zinc/75/09/10/981750910.db2.gz ILRLKYDIJQVXJI-UHFFFAOYSA-N -1 0 322.730 -0.360 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)C1(S(C)(=O)=O)CCCC1 ZINC001362608407 981752020 /nfs/dbraw/zinc/75/20/20/981752020.db2.gz UMCDFXOITDQBRY-UHFFFAOYSA-N -1 0 303.340 -0.321 20 0 DBADRM CNC(=O)N[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001362623370 981768210 /nfs/dbraw/zinc/76/82/10/981768210.db2.gz ZFHPGRSDSCJSJP-QMMMGPOBSA-N -1 0 304.310 -0.834 20 0 DBADRM Cc1cc(C2(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CC2)on1 ZINC001362645769 981791234 /nfs/dbraw/zinc/79/12/34/981791234.db2.gz NYUJLKSNIRCJMM-UHFFFAOYSA-N -1 0 315.351 -0.403 20 0 DBADRM Cn1cc([C@@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)CCO2)cn1 ZINC001362649456 981798411 /nfs/dbraw/zinc/79/84/11/981798411.db2.gz OHLNNNKPIWWUSY-ZJUUUORDSA-N -1 0 322.325 -0.541 20 0 DBADRM CSc1nnc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)s1 ZINC001362652211 981800421 /nfs/dbraw/zinc/80/04/21/981800421.db2.gz JHUOHZBGUYDFRK-UHFFFAOYSA-N -1 0 300.325 -0.214 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001362659288 981804140 /nfs/dbraw/zinc/80/41/40/981804140.db2.gz ABVURTIAQKZLJL-NSHDSACASA-N -1 0 321.385 -0.071 20 0 DBADRM O=C(CN1CCCNC1=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362665906 981808527 /nfs/dbraw/zinc/80/85/27/981808527.db2.gz DSJNHELNQQNKQV-QMMMGPOBSA-N -1 0 311.371 -0.769 20 0 DBADRM CO[C@H](C(=O)N1CCSC[C@@H]1c1nnn[n-]1)c1cnn(C)c1 ZINC001362672837 981811760 /nfs/dbraw/zinc/81/17/60/981811760.db2.gz OXLWMQJLZCTJGW-ZJUUUORDSA-N -1 0 323.382 -0.063 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOC2(CCOCC2)CC1 ZINC001362677397 981812899 /nfs/dbraw/zinc/81/28/99/981812899.db2.gz JWTJFHXLBXMTSR-UHFFFAOYSA-N -1 0 310.310 -0.306 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001362675894 981813129 /nfs/dbraw/zinc/81/31/29/981813129.db2.gz DYPRGHAIQBDIRW-QMMMGPOBSA-N -1 0 310.335 -0.718 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(Cn2cncn2)CC1 ZINC001362681199 981814586 /nfs/dbraw/zinc/81/45/86/981814586.db2.gz YMWFKHIQWIGERR-UHFFFAOYSA-N -1 0 305.298 -0.573 20 0 DBADRM Cc1ccc(C[C@H](CO)NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001362681095 981815297 /nfs/dbraw/zinc/81/52/97/981815297.db2.gz WFUGPVRFHFGLKC-LLVKDONJSA-N -1 0 306.322 -0.282 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCn3cncc3C2)c1 ZINC001362684601 981816315 /nfs/dbraw/zinc/81/63/15/981816315.db2.gz HZDMUCCWLZXROI-UHFFFAOYSA-N -1 0 322.346 -0.108 20 0 DBADRM O=C([C@@H]1CCC2N=NC(=O)N2C1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362685986 981817971 /nfs/dbraw/zinc/81/79/71/981817971.db2.gz JAHUTOWDDFHEFN-DTWKUNHWSA-N -1 0 318.341 -0.535 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC001362686695 981818454 /nfs/dbraw/zinc/81/84/54/981818454.db2.gz IWVINTXQDWXHOX-VIFPVBQESA-N -1 0 309.326 -0.840 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1COc2cc(F)ccc2C1 ZINC001362691895 981821567 /nfs/dbraw/zinc/82/15/67/981821567.db2.gz UHFJRHOBDNDXMU-SECBINFHSA-N -1 0 308.269 -0.052 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC(=O)N1 ZINC001362697758 981827163 /nfs/dbraw/zinc/82/71/63/981827163.db2.gz VASXPMBXVNDMQP-QMMMGPOBSA-N -1 0 317.305 -0.773 20 0 DBADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)CCNC(=O)CO ZINC001362702121 981830412 /nfs/dbraw/zinc/83/04/12/981830412.db2.gz BRRFWHMTIQJIBR-UHFFFAOYSA-N -1 0 319.321 -0.077 20 0 DBADRM C[C@@H](C[S@](C)=O)N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362701816 981830626 /nfs/dbraw/zinc/83/06/26/981830626.db2.gz ONSXNUDBPNGGNA-FHZGZLOMSA-N -1 0 304.372 -0.305 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1c[n-]ncc1=O ZINC001362704963 981832330 /nfs/dbraw/zinc/83/23/30/981832330.db2.gz JPSCZRZGQAUGNK-PSASIEDQSA-N -1 0 314.367 -0.370 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1ccc(CN2CCOCC2)o1 ZINC001362713888 981840860 /nfs/dbraw/zinc/84/08/60/981840860.db2.gz MPGVJZFPHWXYOR-UHFFFAOYSA-N -1 0 320.305 -0.242 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@H](CO)c2cncn2C)cc1=O ZINC001362721384 981845348 /nfs/dbraw/zinc/84/53/48/981845348.db2.gz VFXDSTCQEXPHET-GFCCVEGCSA-N -1 0 321.381 -0.042 20 0 DBADRM O=C([C@H](O)c1ccccn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362724019 981847994 /nfs/dbraw/zinc/84/79/94/981847994.db2.gz KSTDUKSYBDYKCC-SNVBAGLBSA-N -1 0 304.310 -0.862 20 0 DBADRM CO[C@@]1(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CCSC1 ZINC001362726652 981849224 /nfs/dbraw/zinc/84/92/24/981849224.db2.gz BMMSDFZCJNJATB-LBPRGKRZSA-N -1 0 313.383 -0.468 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)CCCc2nnn[n-]2)C1 ZINC001362750169 981864052 /nfs/dbraw/zinc/86/40/52/981864052.db2.gz LULRBISAHIAXQF-VIFPVBQESA-N -1 0 316.387 -0.937 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001362751393 981864457 /nfs/dbraw/zinc/86/44/57/981864457.db2.gz ONGQJXDPQQSOPD-CBAPKCEASA-N -1 0 316.273 -0.319 20 0 DBADRM Cn1cc([C@@H]2C[C@H](NC(=O)CCc3nnn[n-]3)CCO2)cn1 ZINC001362758871 981869953 /nfs/dbraw/zinc/86/99/53/981869953.db2.gz IIBULIWNGODTCQ-MNOVXSKESA-N -1 0 305.342 -0.098 20 0 DBADRM Cn1cc([C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)CCO2)cn1 ZINC001362759007 981870211 /nfs/dbraw/zinc/87/02/11/981870211.db2.gz JCLKGQKDTAXHBC-DTWKUNHWSA-N -1 0 320.309 -0.334 20 0 DBADRM COCCn1ccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)n1 ZINC001362761823 981871840 /nfs/dbraw/zinc/87/18/40/981871840.db2.gz PQLIGYQJDSGFJI-JTQLQIEISA-N -1 0 307.314 -0.744 20 0 DBADRM O=C(CCOC1CCOCC1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001362763302 981874108 /nfs/dbraw/zinc/87/41/08/981874108.db2.gz YLMPZGCGBCJNEY-LLVKDONJSA-N -1 0 311.342 -0.315 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1Cc2ccccc2NC1=O ZINC001362769668 981876794 /nfs/dbraw/zinc/87/67/94/981876794.db2.gz LBGQPIGUIBNEHZ-SECBINFHSA-N -1 0 303.278 -0.631 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](CC(N)=O)c1ccccc1 ZINC001362775730 981880487 /nfs/dbraw/zinc/88/04/87/981880487.db2.gz OURGWJULCJSDFC-SNVBAGLBSA-N -1 0 319.321 -0.236 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC001362784486 981884566 /nfs/dbraw/zinc/88/45/66/981884566.db2.gz YAJWYPWAJIFBFU-RXMQYKEDSA-N -1 0 321.219 -0.799 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@H]1CCCS(=O)(=O)C1 ZINC001362784079 981884629 /nfs/dbraw/zinc/88/46/29/981884629.db2.gz ICFBXHMEBUPAGD-SSDOTTSWSA-N -1 0 320.396 -0.457 20 0 DBADRM CN1CCn2nc(NC(=O)CSc3n[nH]c(=O)[n-]3)cc2C1 ZINC001362804217 981898969 /nfs/dbraw/zinc/89/89/69/981898969.db2.gz RQSHIFRBUDJMNB-UHFFFAOYSA-N -1 0 309.355 -0.117 20 0 DBADRM CCNC(=O)C1(CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CCC1 ZINC001362817057 981912770 /nfs/dbraw/zinc/91/27/70/981912770.db2.gz JGLQDCMWYIGGTJ-UHFFFAOYSA-N -1 0 324.337 -0.067 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CNC(=O)c1cccc(F)c1 ZINC001362841472 981932289 /nfs/dbraw/zinc/93/22/89/981932289.db2.gz PYRGSXBOIGEVPB-UHFFFAOYSA-N -1 0 308.269 -0.110 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C ZINC001362841673 981934823 /nfs/dbraw/zinc/93/48/23/981934823.db2.gz RZFYDZGFYFJVIG-ZETCQYMHSA-N -1 0 316.314 -0.793 20 0 DBADRM Cc1cc(C(=O)N2C[C@@H](O)[C@H](CO)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001362844452 981934862 /nfs/dbraw/zinc/93/48/62/981934862.db2.gz ZJBKHUYJFKPGDN-IONNQARKSA-N -1 0 320.305 -0.830 20 0 DBADRM C[C@H](O)c1cn(C2CN(C(=O)CCCc3nnn[n-]3)C2)nn1 ZINC001362861860 981953814 /nfs/dbraw/zinc/95/38/14/981953814.db2.gz XYVGXOQSSRDIEX-QMMMGPOBSA-N -1 0 306.330 -0.749 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCc2ccncn2)c1 ZINC001362870235 981962102 /nfs/dbraw/zinc/96/21/02/981962102.db2.gz DUZXHGVDVQDTGG-UHFFFAOYSA-N -1 0 308.319 -0.240 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)CCc2nnn[n-]2)C[C@H]1c1ccccc1 ZINC001362878312 981966627 /nfs/dbraw/zinc/96/66/27/981966627.db2.gz YOVUAHOOXTXVKX-NWDGAFQWSA-N -1 0 314.349 -0.140 20 0 DBADRM Cn1nccc1[C@H]1COCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362886998 981970761 /nfs/dbraw/zinc/97/07/61/981970761.db2.gz MYKIXELONXOETE-MRVPVSSYSA-N -1 0 306.282 -0.770 20 0 DBADRM NC(=O)[C@H](CO)NC(=O)c1cc(Br)c(F)cc1[O-] ZINC001362889859 981974335 /nfs/dbraw/zinc/97/43/35/981974335.db2.gz BMWFMCWSHCGQJN-ZETCQYMHSA-N -1 0 321.102 -0.130 20 0 DBADRM CCOC(=O)[C@H](NC(=O)CCc1nnn[n-]1)[C@H]1CCCOC1 ZINC001362892388 981977338 /nfs/dbraw/zinc/97/73/38/981977338.db2.gz RSQLPUVPWLCVDB-JOYOIKCWSA-N -1 0 311.342 -0.393 20 0 DBADRM Cn1nc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)ccc1=O ZINC001362901341 981982808 /nfs/dbraw/zinc/98/28/08/981982808.db2.gz AYGNZBUSPOMCQH-SECBINFHSA-N -1 0 303.326 -0.612 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)nn1 ZINC001362901621 981983606 /nfs/dbraw/zinc/98/36/06/981983606.db2.gz CGWWUSFGMLKMGY-ZJUUUORDSA-N -1 0 320.357 -0.674 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](O)c1ccccc1OC)c1nnn[n-]1 ZINC001362901040 981983989 /nfs/dbraw/zinc/98/39/89/981983989.db2.gz PIZSZKRTKQGBAH-KOLCDFICSA-N -1 0 307.310 -0.254 20 0 DBADRM COC[C@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)c1nnn[n-]1 ZINC001362904326 981985033 /nfs/dbraw/zinc/98/50/33/981985033.db2.gz AVCJUXMGPYOAPI-SCZZXKLOSA-N -1 0 310.358 -0.302 20 0 DBADRM COC[C@H](NC(=O)CCNC(=O)c1ccsc1)c1nnn[n-]1 ZINC001362905750 981989552 /nfs/dbraw/zinc/98/95/52/981989552.db2.gz DDYAGTQFQUSMRD-VIFPVBQESA-N -1 0 324.366 -0.115 20 0 DBADRM COC[C@@H](NC(=O)CN(C)C(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001362910820 981993132 /nfs/dbraw/zinc/99/31/32/981993132.db2.gz SBISIGWJQKRYKU-MRVPVSSYSA-N -1 0 314.346 -0.130 20 0 DBADRM COCCn1cc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)nn1 ZINC001362909418 981993338 /nfs/dbraw/zinc/99/33/38/981993338.db2.gz XMKGUGWKLFDSSL-SNVBAGLBSA-N -1 0 320.357 -0.468 20 0 DBADRM COC(=O)[C@@H](Cc1ccncc1)NC(=O)CCc1nnn[n-]1 ZINC001362927220 982008378 /nfs/dbraw/zinc/00/83/78/982008378.db2.gz CSMLNIHXKQTZHD-SNVBAGLBSA-N -1 0 304.310 -0.572 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCC(F)(F)[C@@H](CO)C1 ZINC001362927281 982008507 /nfs/dbraw/zinc/00/85/07/982008507.db2.gz XOEMELPOTXOCSR-ZCFIWIBFSA-N -1 0 319.264 -0.014 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CCOC2=O)c1 ZINC001362933970 982011967 /nfs/dbraw/zinc/01/19/67/982011967.db2.gz STXLQGQSMSSFKB-QMMMGPOBSA-N -1 0 300.292 -0.915 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001362936596 982014445 /nfs/dbraw/zinc/01/44/45/982014445.db2.gz KLVGELLSIGJGHE-APPZFPTMSA-N -1 0 315.326 -0.120 20 0 DBADRM O=C(c1c[n-]ncc1=O)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001362937958 982014674 /nfs/dbraw/zinc/01/46/74/982014674.db2.gz ORYRZAWACYWPBP-SNVBAGLBSA-N -1 0 304.310 -0.257 20 0 DBADRM COC(=O)N1CC(C)(NC(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001362939012 982015404 /nfs/dbraw/zinc/01/54/04/982015404.db2.gz ZZSVUTCERDWEGZ-UHFFFAOYSA-N -1 0 301.328 -0.441 20 0 DBADRM CNC(=O)c1cccc(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001362942732 982017914 /nfs/dbraw/zinc/01/79/14/982017914.db2.gz XPTQEZVXICTVCX-UHFFFAOYSA-N -1 0 305.294 -0.288 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001362959243 982027778 /nfs/dbraw/zinc/02/77/78/982027778.db2.gz VAXMUWRZGUZAGR-IVZWLZJFSA-N -1 0 314.342 -0.628 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCCN1C(=O)CCCc1nnn[n-]1 ZINC001362964102 982031170 /nfs/dbraw/zinc/03/11/70/982031170.db2.gz FYTKIEAHOJUPMM-SECBINFHSA-N -1 0 301.372 -0.442 20 0 DBADRM COCC[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)C(=O)OC ZINC001362967923 982036998 /nfs/dbraw/zinc/03/69/98/982036998.db2.gz BWKANKXPCMEYHV-SECBINFHSA-N -1 0 308.294 -0.670 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](c2nnn[n-]2)C1)[C@@H](C)S(C)(=O)=O ZINC001362995298 982053790 /nfs/dbraw/zinc/05/37/90/982053790.db2.gz RDZSUPSSQOSJRK-AEJSXWLSSA-N -1 0 315.399 -0.025 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](c2nnn[n-]2)C1)N1CCN(C)CC1 ZINC001362993432 982054833 /nfs/dbraw/zinc/05/48/33/982054833.db2.gz GAUQYZLSMBQPIU-NEPJUHHUSA-N -1 0 307.402 -0.458 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1noc(C(F)F)n1 ZINC001363006028 982063883 /nfs/dbraw/zinc/06/38/83/982063883.db2.gz NRGSQBGNWGIGAF-GSVOUGTGSA-N -1 0 304.213 -0.113 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC1(n2cccn2)CC1 ZINC001363006711 982063912 /nfs/dbraw/zinc/06/39/12/982063912.db2.gz RRRWMDGTNLSCHZ-UHFFFAOYSA-N -1 0 313.321 -0.427 20 0 DBADRM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)CCc2nnn[n-]2)C1 ZINC001363013957 982070816 /nfs/dbraw/zinc/07/08/16/982070816.db2.gz UWMWSAPSCAIDTN-SNVBAGLBSA-N -1 0 320.275 -0.341 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001363028300 982084962 /nfs/dbraw/zinc/08/49/62/982084962.db2.gz LQKRDHUVDOKKDO-XCBNKYQSSA-N -1 0 301.310 -0.484 20 0 DBADRM O=C([C@@H]1CCCc2nn[nH]c21)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363031477 982086369 /nfs/dbraw/zinc/08/63/69/982086369.db2.gz YNVUXLYXPKMRLI-MRVPVSSYSA-N -1 0 318.341 -0.752 20 0 DBADRM CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001363044814 982096130 /nfs/dbraw/zinc/09/61/30/982096130.db2.gz SWTUISMTJLQSEI-IUCAKERBSA-N -1 0 312.326 -0.397 20 0 DBADRM CS(=O)(=O)CC1(CCNC(=O)CCc2nnn[n-]2)CC1 ZINC001363052792 982102744 /nfs/dbraw/zinc/10/27/44/982102744.db2.gz MBDDZOSZTHQBFO-UHFFFAOYSA-N -1 0 301.372 -0.537 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCC[C@@H]1c1ncon1 ZINC001363056088 982106160 /nfs/dbraw/zinc/10/61/60/982106160.db2.gz HRBAGLNGOJTOKH-SECBINFHSA-N -1 0 315.293 -0.182 20 0 DBADRM COC(=O)c1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)s1 ZINC001363086144 982125998 /nfs/dbraw/zinc/12/59/98/982125998.db2.gz CUQSXBJGBSFMRD-UHFFFAOYSA-N -1 0 312.307 -0.146 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)N3CC(O)(C(N)=O)C3)cc2=O)cc1 ZINC001363093764 982132898 /nfs/dbraw/zinc/13/28/98/982132898.db2.gz JCYKWSMHXBDIKC-UHFFFAOYSA-N -1 0 316.317 -0.854 20 0 DBADRM Cc1ncc2n1C[C@@H](C(=O)N1CCOC[C@H]1c1nnn[n-]1)CC2 ZINC001363117655 982148738 /nfs/dbraw/zinc/14/87/38/982148738.db2.gz YIMKGNGWMWQXEE-JQWIXIFHSA-N -1 0 317.353 -0.133 20 0 DBADRM C[C@H](Cc1cnn(C)c1)C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363117226 982149594 /nfs/dbraw/zinc/14/95/94/982149594.db2.gz SZHIECKHLGXEAI-MWLCHTKSSA-N -1 0 305.342 -0.288 20 0 DBADRM O=C(C1=CS(=O)(=O)CCC1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363117170 982150061 /nfs/dbraw/zinc/15/00/61/982150061.db2.gz RRXGZXJOLFAWFZ-SECBINFHSA-N -1 0 313.339 -0.808 20 0 DBADRM CN=[S@](C)(=O)CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363131331 982157604 /nfs/dbraw/zinc/15/76/04/982157604.db2.gz OSFCLWKTZPYSJA-JOCHJYFZSA-N -1 0 323.382 -0.468 20 0 DBADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)NC[C@@H](O)C(N)=O)n2)c1 ZINC001363132753 982158984 /nfs/dbraw/zinc/15/89/84/982158984.db2.gz CRXXZSPPHCDXFA-SNVBAGLBSA-N -1 0 322.296 -0.399 20 0 DBADRM CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001363137241 982161542 /nfs/dbraw/zinc/16/15/42/982161542.db2.gz ATVHKUXUFJQKQE-NKWVEPMBSA-N -1 0 314.273 -0.354 20 0 DBADRM CCN(CC(N)=O)C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001363137026 982161956 /nfs/dbraw/zinc/16/19/56/982161956.db2.gz PUUJYQKBHWMWDN-UHFFFAOYSA-N -1 0 318.337 -0.480 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCC2N=NC(=O)N2C)c1 ZINC001363137488 982164662 /nfs/dbraw/zinc/16/46/62/982164662.db2.gz DALSWTAMOUFASF-QFIPXVFZSA-N -1 0 324.362 -0.047 20 0 DBADRM C[C@@H](O)[C@@H](O)CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC001363164733 982190525 /nfs/dbraw/zinc/19/05/25/982190525.db2.gz JIAXEDGTIUVCQI-HQJQHLMTSA-N -1 0 320.342 -0.331 20 0 DBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001363193585 982214616 /nfs/dbraw/zinc/21/46/16/982214616.db2.gz AVRGJPURECSFIM-SECBINFHSA-N -1 0 309.374 -0.011 20 0 DBADRM O=C(N[C@@H]1COCC[C@H]1O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001363196217 982215298 /nfs/dbraw/zinc/21/52/98/982215298.db2.gz UZQNRCKLGRBXOB-GHMZBOCLSA-N -1 0 320.305 -0.854 20 0 DBADRM COc1cccnc1CC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363203954 982222680 /nfs/dbraw/zinc/22/26/80/982222680.db2.gz MESUBTLSARGGFS-SNVBAGLBSA-N -1 0 304.310 -0.254 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363216093 982230375 /nfs/dbraw/zinc/23/03/75/982230375.db2.gz HXORJRZFPVLZEX-VIFPVBQESA-N -1 0 311.342 -0.126 20 0 DBADRM O=C(CNC(=O)c1ncccc1O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363215295 982230911 /nfs/dbraw/zinc/23/09/11/982230911.db2.gz CTUVTTMAKMGRQZ-QMMMGPOBSA-N -1 0 317.309 -0.954 20 0 DBADRM NC(=O)COc1ccc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)cc1 ZINC001363222280 982235566 /nfs/dbraw/zinc/23/55/66/982235566.db2.gz ZHRSJNTZNXCMQH-JTQLQIEISA-N -1 0 316.321 -0.307 20 0 DBADRM CCOC[C@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CCO1 ZINC001363227987 982240429 /nfs/dbraw/zinc/24/04/29/982240429.db2.gz SYJVNXQDHDGIAE-SNVBAGLBSA-N -1 0 314.342 -0.267 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CCS1(=O)=O ZINC001363269172 982291909 /nfs/dbraw/zinc/29/19/09/982291909.db2.gz IJCMYLNRBZQYCC-MRVPVSSYSA-N -1 0 322.350 -0.479 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)NC1(c2nnn[n-]2)CCC1 ZINC001363277656 982299181 /nfs/dbraw/zinc/29/91/81/982299181.db2.gz NDPCETWNLDMXEE-UHFFFAOYSA-N -1 0 301.372 -0.234 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1C(=O)c2nccnc2C1=O)C(=O)[O-] ZINC001594893254 982302185 /nfs/dbraw/zinc/30/21/85/982302185.db2.gz SXOBYEUYJOYNAN-IONNQARKSA-N -1 0 320.305 -0.312 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001363282919 982304737 /nfs/dbraw/zinc/30/47/37/982304737.db2.gz RUFZDJBRWVHUFA-UHFFFAOYSA-N -1 0 316.387 -0.813 20 0 DBADRM CC[C@H](CNC(=O)C1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001531036467 1014825786 /nfs/dbraw/zinc/82/57/86/1014825786.db2.gz KSZBWHBXDWCTPN-SECBINFHSA-N -1 0 308.338 -0.480 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2Cc3c[nH]nc3C2)c1 ZINC001363303921 982325397 /nfs/dbraw/zinc/32/53/97/982325397.db2.gz VCRYIDLDEYYDSP-UHFFFAOYSA-N -1 0 308.319 -0.081 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363305723 982328477 /nfs/dbraw/zinc/32/84/77/982328477.db2.gz FRDJMQRUFBUDMD-HTQZYQBOSA-N -1 0 308.371 -0.175 20 0 DBADRM CCN1CCC[C@H](NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1=O ZINC001596418662 1017143149 /nfs/dbraw/zinc/14/31/49/1017143149.db2.gz SEUCAYLNDFTBQK-MXWKQRLJSA-N -1 0 313.354 -0.526 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001363326385 982341484 /nfs/dbraw/zinc/34/14/84/982341484.db2.gz BNUIXPIIMNXPEW-ZJUUUORDSA-N -1 0 313.383 -0.585 20 0 DBADRM CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1nnn[n-]1 ZINC001363327228 982344613 /nfs/dbraw/zinc/34/46/13/982344613.db2.gz PSKLQJVKLWAOBJ-MRVPVSSYSA-N -1 0 312.330 -0.202 20 0 DBADRM CN(C)C(=O)[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001363329355 982345436 /nfs/dbraw/zinc/34/54/36/982345436.db2.gz ZCCPOTVEQUZFMQ-SECBINFHSA-N -1 0 303.322 -0.427 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H](CO)[C@@H]1CCCOC1 ZINC001363329582 982346878 /nfs/dbraw/zinc/34/68/78/982346878.db2.gz QUSNCYQRCNPFIK-HTQZYQBOSA-N -1 0 302.356 -0.494 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC(F)(F)[C@@H](CO)C1 ZINC001363340538 982353859 /nfs/dbraw/zinc/35/38/59/982353859.db2.gz LOFUXMYTODCUGV-MRVPVSSYSA-N -1 0 320.296 -0.054 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H]2O)c1 ZINC001363346019 982354825 /nfs/dbraw/zinc/35/48/25/982354825.db2.gz UUHCWUXJNCVUJP-ONGXEEELSA-N -1 0 300.336 -0.317 20 0 DBADRM CS(=O)(=O)C1(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)CC1 ZINC001363346062 982356190 /nfs/dbraw/zinc/35/61/90/982356190.db2.gz UWXCPAPTRBFHNE-SNVBAGLBSA-N -1 0 321.362 -0.018 20 0 DBADRM COc1ccc2c(=O)[nH]n(C(=O)[C@@H]3CC(=O)N=C([O-])N3)c2c1 ZINC001363373196 982367886 /nfs/dbraw/zinc/36/78/86/982367886.db2.gz DWBWOHHXGXTZII-QMMMGPOBSA-N -1 0 304.262 -0.011 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC001363374724 982368542 /nfs/dbraw/zinc/36/85/42/982368542.db2.gz RJYJFXZKHYXEDN-MRVPVSSYSA-N -1 0 307.310 -0.633 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)NC1(c2nnn[n-]2)CCC1 ZINC001363376037 982369441 /nfs/dbraw/zinc/36/94/41/982369441.db2.gz KFEIBJOVHGZRJJ-UHFFFAOYSA-N -1 0 315.337 -0.094 20 0 DBADRM CC(=O)c1cn(CC(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)nn1 ZINC001363394637 982387000 /nfs/dbraw/zinc/38/70/00/982387000.db2.gz BCDCFOVUAUPSMD-SNVBAGLBSA-N -1 0 318.341 -0.525 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)C1 ZINC001363399588 982390484 /nfs/dbraw/zinc/39/04/84/982390484.db2.gz NZECQGGLPYOLQG-MXWKQRLJSA-N -1 0 306.370 -0.118 20 0 DBADRM O=C([C@@H]1CCc2nncn2C1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001363402146 982392549 /nfs/dbraw/zinc/39/25/49/982392549.db2.gz VDJWCMXLVSXFCO-GHMZBOCLSA-N -1 0 316.369 -0.165 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)N2CCOC[C@H]2c2nnn[n-]2)CC1=O ZINC001363409294 982397472 /nfs/dbraw/zinc/39/74/72/982397472.db2.gz DYSXXPPMSIPXAS-QWRGUYRKSA-N -1 0 322.369 -0.396 20 0 DBADRM COc1cccc([C@@H](O)C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1 ZINC001363412887 982399071 /nfs/dbraw/zinc/39/90/71/982399071.db2.gz WLAGRRPHPKYVIA-VXGBXAGGSA-N -1 0 319.321 -0.158 20 0 DBADRM CNC(=O)[C@H]1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC001363418957 982402948 /nfs/dbraw/zinc/40/29/48/982402948.db2.gz IECMSPPDYHLRGF-ZETCQYMHSA-N -1 0 317.305 -0.356 20 0 DBADRM COC[C@H](NC(=O)[C@@H](C)N1CCSCC1)c1nnn[n-]1 ZINC001363419037 982403057 /nfs/dbraw/zinc/40/30/57/982403057.db2.gz USINWAJPYSCQFD-BDAKNGLRSA-N -1 0 300.388 -0.559 20 0 DBADRM COC[C@H](NC(=O)CCS(=O)(=O)CC(C)C)c1nnn[n-]1 ZINC001363429689 982406824 /nfs/dbraw/zinc/40/68/24/982406824.db2.gz FCPJUHQLLFFUGN-VIFPVBQESA-N -1 0 319.387 -0.536 20 0 DBADRM O=C(N1CCC[C@H](Cc2nnn[n-]2)C1)C1(n2cnnn2)CC1 ZINC001363429657 982407020 /nfs/dbraw/zinc/40/70/20/982407020.db2.gz DSVMXEINBWHZGH-SECBINFHSA-N -1 0 303.330 -0.843 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1cccc2c1NC(=O)CO2 ZINC001363449461 982420284 /nfs/dbraw/zinc/42/02/84/982420284.db2.gz FPGLABZFXNVJSL-UHFFFAOYSA-N -1 0 304.262 -0.034 20 0 DBADRM CN(C[C@@]1(O)CCc2ccccc21)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363448381 982421292 /nfs/dbraw/zinc/42/12/92/982421292.db2.gz HPEVGKPBRSAIGS-HNNXBMFYSA-N -1 0 318.333 -0.018 20 0 DBADRM CC(C)CN1N=C(C(=O)N(C)Cc2nc(=O)o[n-]2)CCC1=O ZINC001363453784 982426398 /nfs/dbraw/zinc/42/63/98/982426398.db2.gz UEZRDGZQQWGLSN-UHFFFAOYSA-N -1 0 309.326 -0.044 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC001363454751 982426528 /nfs/dbraw/zinc/42/65/28/982426528.db2.gz YBVJUDOPHGBDAW-MRVPVSSYSA-N -1 0 318.355 -0.865 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC001363461605 982432708 /nfs/dbraw/zinc/43/27/08/982432708.db2.gz QVBRAZTWRYCTDT-GXFFZTMASA-N -1 0 309.370 -0.041 20 0 DBADRM C[C@H](NC(=O)c1cnc2n(c1=O)CCS2)c1nnc([O-])n1C ZINC001363466145 982434535 /nfs/dbraw/zinc/43/45/35/982434535.db2.gz QXDZDOUNGKSDGT-LURJTMIESA-N -1 0 322.350 -0.326 20 0 DBADRM CCC(=O)N1CC[C@@H]1CN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001489760280 1014842835 /nfs/dbraw/zinc/84/28/35/1014842835.db2.gz OLCBVUABTMYHLW-SECBINFHSA-N -1 0 323.353 -0.315 20 0 DBADRM O=C(CO)NCCC(=O)Nc1nccc(Br)c1[O-] ZINC001363500455 982462093 /nfs/dbraw/zinc/46/20/93/982462093.db2.gz YCJMAMFGIOEFIP-UHFFFAOYSA-N -1 0 318.127 -0.013 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ncccc1CO ZINC001363510304 982472645 /nfs/dbraw/zinc/47/26/45/982472645.db2.gz VHOGQRQKWMNDTK-UHFFFAOYSA-N -1 0 300.278 -0.403 20 0 DBADRM Cc1cnc(COCC(=O)N2CCOC[C@H]2c2nnn[n-]2)o1 ZINC001363509777 982472721 /nfs/dbraw/zinc/47/27/21/982472721.db2.gz BQBIYAUKNLVQLP-VIFPVBQESA-N -1 0 308.298 -0.387 20 0 DBADRM Cn1cc2c(n1)CCC[C@@H]2C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363512365 982475032 /nfs/dbraw/zinc/47/50/32/982475032.db2.gz MPCIMZAGCDUXLM-CABZTGNLSA-N -1 0 317.353 -0.047 20 0 DBADRM C[C@@H](O)c1ncc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)s1 ZINC001363511948 982476200 /nfs/dbraw/zinc/47/62/00/982476200.db2.gz KEQITBMBOVJRRS-RQJHMYQMSA-N -1 0 310.339 -0.077 20 0 DBADRM CN1C[C@@H](CCNC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1=O ZINC001363518081 982479759 /nfs/dbraw/zinc/47/97/59/982479759.db2.gz CGEGUJLWGLFGEA-VIFPVBQESA-N -1 0 311.342 -0.546 20 0 DBADRM CSc1ncc(C(=O)N[C@H](CO)Cc2c[nH]cn2)c(=O)[nH]1 ZINC001363518277 982482087 /nfs/dbraw/zinc/48/20/87/982482087.db2.gz FCVAEKSDOQZHCF-QMMMGPOBSA-N -1 0 309.351 -0.039 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(C2(O)CCOCC2)CC1 ZINC001363522347 982483025 /nfs/dbraw/zinc/48/30/25/982483025.db2.gz JTINNSHBZWRRRS-UHFFFAOYSA-N -1 0 312.326 -0.873 20 0 DBADRM Cc1nnc(N2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)s1 ZINC001363528641 982488046 /nfs/dbraw/zinc/48/80/46/982488046.db2.gz IESLADVVSYJKJS-UHFFFAOYSA-N -1 0 323.338 -0.595 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC001363528858 982488797 /nfs/dbraw/zinc/48/87/97/982488797.db2.gz KFKNDOBCOKAMLN-GXSJLCMTSA-N -1 0 323.353 -0.403 20 0 DBADRM CN(C(=O)c1nc[n-]c(=O)c1Br)[C@@H]1COC[C@H]1O ZINC001363537989 982494879 /nfs/dbraw/zinc/49/48/79/982494879.db2.gz WYMAJOIMBHPVEV-PHDIDXHHSA-N -1 0 318.127 -0.224 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC001363568906 982515121 /nfs/dbraw/zinc/51/51/21/982515121.db2.gz DBQRCUBHGMKKGQ-UHFFFAOYSA-N -1 0 303.340 -0.323 20 0 DBADRM O=C(c1c[n-]ncc1=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001363573147 982516786 /nfs/dbraw/zinc/51/67/86/982516786.db2.gz IDGGCVBVXFQKGY-LBPRGKRZSA-N -1 0 313.335 -0.788 20 0 DBADRM CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363577869 982518243 /nfs/dbraw/zinc/51/82/43/982518243.db2.gz NPBDPXDWAYFSTJ-MRVPVSSYSA-N -1 0 311.342 -0.405 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001363580904 982519374 /nfs/dbraw/zinc/51/93/74/982519374.db2.gz HALPEHVQYYGLRA-VHSXEESVSA-N -1 0 311.342 -0.705 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001363580888 982520192 /nfs/dbraw/zinc/52/01/92/982520192.db2.gz HALPEHVQYYGLRA-NXEZZACHSA-N -1 0 311.342 -0.705 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CC(c2ccccn2)=NO1)c1nnn[n-]1 ZINC001363585143 982523159 /nfs/dbraw/zinc/52/31/59/982523159.db2.gz HIXLNLHRPFSEKH-GHMZBOCLSA-N -1 0 317.309 -0.408 20 0 DBADRM CCO[C@@H]1COCC[C@H]1CC(=O)N[C@H](COC)c1nnn[n-]1 ZINC001363586599 982523543 /nfs/dbraw/zinc/52/35/43/982523543.db2.gz KKUSFKOYSWUPKT-HBNTYKKESA-N -1 0 313.358 -0.165 20 0 DBADRM COC[C@H](NC(=O)CCCN(C)C(=O)OC)c1nnn[n-]1 ZINC001363587334 982523661 /nfs/dbraw/zinc/52/36/61/982523661.db2.gz LAKQFDKAVINSDY-QMMMGPOBSA-N -1 0 300.319 -0.518 20 0 DBADRM COC[C@@H](NC(=O)c1c2c(nn1C)CCSC2)c1nnn[n-]1 ZINC001363588801 982525812 /nfs/dbraw/zinc/52/58/12/982525812.db2.gz NRTAEXHQCOFUMV-SECBINFHSA-N -1 0 323.382 -0.160 20 0 DBADRM COC[C@H](NC(=O)c1c2c(nn1C)CCSC2)c1nnn[n-]1 ZINC001363588802 982526253 /nfs/dbraw/zinc/52/62/53/982526253.db2.gz NRTAEXHQCOFUMV-VIFPVBQESA-N -1 0 323.382 -0.160 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CCc2ncncc2C1)c1nnn[n-]1 ZINC001363591423 982527722 /nfs/dbraw/zinc/52/77/22/982527722.db2.gz TWCIMETZUNCTPE-KCJUWKMLSA-N -1 0 303.326 -0.402 20 0 DBADRM O=C(NCC1(C2(O)CCOCC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001363622214 982540672 /nfs/dbraw/zinc/54/06/72/982540672.db2.gz UXHGYDOGFNBCDQ-UHFFFAOYSA-N -1 0 310.310 -0.666 20 0 DBADRM NC(=O)[C@H](C1CC1)N(CC1CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363627522 982544221 /nfs/dbraw/zinc/54/42/21/982544221.db2.gz LBXSXMPQAHPQMS-JTQLQIEISA-N -1 0 309.326 -0.808 20 0 DBADRM COC(=O)[C@@](C)(Cn1cccn1)NC(=O)c1c[n-]ncc1=O ZINC001363657136 982555306 /nfs/dbraw/zinc/55/53/06/982555306.db2.gz HNALLSBQQYZWPK-CYBMUJFWSA-N -1 0 305.294 -0.260 20 0 DBADRM CCC[C@H](C(=O)N1CCC(c2nnn[n-]2)CC1)S(N)(=O)=O ZINC001363663402 982559304 /nfs/dbraw/zinc/55/93/04/982559304.db2.gz YHTUOEWZEBLZBF-SECBINFHSA-N -1 0 316.387 -0.637 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC(c3nnn[n-]3)CC2)nc1 ZINC001363662005 982559589 /nfs/dbraw/zinc/55/95/89/982559589.db2.gz UJYQQUBQKBBYJK-UHFFFAOYSA-N -1 0 301.310 -0.287 20 0 DBADRM COC(=O)c1cc(C2CN(C(=O)CCc3nnn[n-]3)C2)[nH]n1 ZINC001363668392 982563100 /nfs/dbraw/zinc/56/31/00/982563100.db2.gz KMYAOXJXBPQPGJ-UHFFFAOYSA-N -1 0 305.298 -0.732 20 0 DBADRM Cn1cc(CNC(=O)c2cc3c(cc2O)OCO3)c(=O)[nH]c1=O ZINC001363685887 982573260 /nfs/dbraw/zinc/57/32/60/982573260.db2.gz JIBPDGSICGCYFC-UHFFFAOYSA-N -1 0 319.273 -0.150 20 0 DBADRM O=C([C@H]1CCC2N=NC(=O)N2C1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363725010 982588730 /nfs/dbraw/zinc/58/87/30/982588730.db2.gz RPNQPDUGDPTHNT-YUMQZZPRSA-N -1 0 304.314 -0.925 20 0 DBADRM COc1cccc(C(=O)CNC(=O)c2n[nH]c(=O)[n-]c2=O)c1 ZINC001363728238 982593007 /nfs/dbraw/zinc/59/30/07/982593007.db2.gz WYTXDGMIYRARPF-UHFFFAOYSA-N -1 0 304.262 -0.096 20 0 DBADRM CCOC(=O)[C@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001363748219 982603655 /nfs/dbraw/zinc/60/36/55/982603655.db2.gz FJFQPVXGLXBOJX-SKLCBMLGSA-N -1 0 301.390 -0.653 20 0 DBADRM CCOC(=O)[C@@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001363748215 982604639 /nfs/dbraw/zinc/60/46/39/982604639.db2.gz FJFQPVXGLXBOJX-IWEMQMMOSA-N -1 0 301.390 -0.653 20 0 DBADRM Nc1nc2nc(CN3CCO[C@H]([C@@H]4CCCO4)C3)cc(=O)n2[n-]1 ZINC001363793097 982639531 /nfs/dbraw/zinc/63/95/31/982639531.db2.gz JCPRSKCQIPUOPW-QWRGUYRKSA-N -1 0 320.353 -0.620 20 0 DBADRM O=C(N[C@H]([C@@H]1CCOC1)C(F)(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001363810598 982651220 /nfs/dbraw/zinc/65/12/20/982651220.db2.gz ITXUAFVUBQOGST-INEUFUBQSA-N -1 0 308.216 -0.020 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)c1s[n-]c(=O)c1Cl ZINC001363814661 982652911 /nfs/dbraw/zinc/65/29/11/982652911.db2.gz OTOZNTWRDCCIHL-SCSAIBSYSA-N -1 0 314.772 -0.363 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001363828929 982661923 /nfs/dbraw/zinc/66/19/23/982661923.db2.gz JNIZLUGJUHELDQ-JOAULVNJSA-N -1 0 310.354 -0.422 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1ncc[n-]1 ZINC001363833591 982664955 /nfs/dbraw/zinc/66/49/55/982664955.db2.gz HJHWIMZPYNIXHD-BDAKNGLRSA-N -1 0 303.340 -0.249 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)N=S(=O)(CC)CC ZINC001363844886 982672650 /nfs/dbraw/zinc/67/26/50/982672650.db2.gz ZWHPRAZYZQWTDE-QMMMGPOBSA-N -1 0 316.401 -0.747 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1C(=O)NCC[C@H]1C ZINC001363855428 982675611 /nfs/dbraw/zinc/67/56/11/982675611.db2.gz AQDAXQZYPILFEY-BDAKNGLRSA-N -1 0 311.429 -0.147 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)CCCc2nnn[n-]2)CS1(=O)=O ZINC001363856789 982676660 /nfs/dbraw/zinc/67/66/60/982676660.db2.gz JENLLIGXDCQQES-IUCAKERBSA-N -1 0 301.372 -0.396 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)CCCc2nnn[n-]2)CS1(=O)=O ZINC001363856791 982677738 /nfs/dbraw/zinc/67/77/38/982677738.db2.gz JENLLIGXDCQQES-RKDXNWHRSA-N -1 0 301.372 -0.396 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363884671 982693454 /nfs/dbraw/zinc/69/34/54/982693454.db2.gz KVNPVNADXSFTRY-GFCCVEGCSA-N -1 0 318.337 -0.438 20 0 DBADRM COC(=O)C[C@H](C)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001363923101 982722490 /nfs/dbraw/zinc/72/24/90/982722490.db2.gz XLPPOZRNRHJQBV-QMMMGPOBSA-N -1 0 320.305 -0.052 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCCS(=O)(=O)C(F)(F)F ZINC001363930947 982730869 /nfs/dbraw/zinc/73/08/69/982730869.db2.gz XPDOLUFMAHLTPB-UHFFFAOYSA-N -1 0 315.277 -0.427 20 0 DBADRM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)N=S(C)(C)=O ZINC001363929469 982731390 /nfs/dbraw/zinc/73/13/90/982731390.db2.gz PWAPNGJOSDFPFK-ZETCQYMHSA-N -1 0 317.458 -0.584 20 0 DBADRM CC(C)C(=O)NC[C@](C)(NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001531746360 1014875767 /nfs/dbraw/zinc/87/57/67/1014875767.db2.gz UOONJHUJVARCKY-AWEZNQCLSA-N -1 0 323.353 -0.047 20 0 DBADRM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)C[C@@H]1CCC2(CCC2)O1 ZINC001363941577 982737816 /nfs/dbraw/zinc/73/78/16/982737816.db2.gz PQGHQJZXYOEQAK-JQWIXIFHSA-N -1 0 321.395 -0.069 20 0 DBADRM COC(=O)C1CC2(C1)C[C@H](NC(=O)CCc1nnn[n-]1)CCO2 ZINC001363962271 982750028 /nfs/dbraw/zinc/75/00/28/982750028.db2.gz WRZVNQKMNUNJHZ-OPASDULOSA-N -1 0 323.353 -0.251 20 0 DBADRM NC(=O)C1=NO[C@H](CNS(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC001363968483 982755111 /nfs/dbraw/zinc/75/51/11/982755111.db2.gz NMTLNHHHNFDHNK-QMMMGPOBSA-N -1 0 317.298 -0.560 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNS(=O)(=O)c1ncc[n-]1 ZINC001363967510 982755897 /nfs/dbraw/zinc/75/58/97/982755897.db2.gz HGXVOSMIEKJUME-BDAKNGLRSA-N -1 0 322.412 -0.594 20 0 DBADRM CNC(=O)[C@H](CO)NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC001363974760 982758700 /nfs/dbraw/zinc/75/87/00/982758700.db2.gz YSIREWKVKTVGBT-ZETCQYMHSA-N -1 0 308.743 -0.569 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C(N)=O ZINC001363973110 982760350 /nfs/dbraw/zinc/76/03/50/982760350.db2.gz JPTSKUAQPPBIHC-VIIUKITBSA-N -1 0 315.417 -0.783 20 0 DBADRM Cn1cc(S(=O)(=O)NCC[C@@H]2CCCCO2)c(=O)[nH]c1=O ZINC001363979197 982763200 /nfs/dbraw/zinc/76/32/00/982763200.db2.gz UPTLDENQKAKBOT-VIFPVBQESA-N -1 0 317.367 -0.277 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@H](C)c2noc(C)n2)CC1=O ZINC001363983199 982765850 /nfs/dbraw/zinc/76/58/50/982765850.db2.gz ZZRIQVGFNKZOAN-VXNVDRBHSA-N -1 0 302.356 -0.021 20 0 DBADRM COC[C@H](NS(=O)(=O)C[C@H](OC)c1ccccc1)C(N)=O ZINC001363983331 982766003 /nfs/dbraw/zinc/76/60/03/982766003.db2.gz YWMOUWXZHKENAH-RYUDHWBXSA-N -1 0 316.379 -0.206 20 0 DBADRM NC(=O)[C@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)c1ccc(F)cc1 ZINC001363983114 982766055 /nfs/dbraw/zinc/76/60/55/982766055.db2.gz ROUKXHYLMHTWAQ-GMTAPVOTSA-N -1 0 318.326 -0.969 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NN1C[C@H]2CCC[C@@H]2C1 ZINC001363991290 982769885 /nfs/dbraw/zinc/76/98/85/982769885.db2.gz DLZGUUPSJFZMSO-NXEZZACHSA-N -1 0 302.338 -0.166 20 0 DBADRM C[S@@](=O)(=NS(=O)(=O)[N-]C1(C(N)=O)CC1)c1ccccc1 ZINC001363994415 982772768 /nfs/dbraw/zinc/77/27/68/982772768.db2.gz YJQGVMBJSVITMK-IBGZPJMESA-N -1 0 317.392 -0.004 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@H](O)[C@H]1CCCO1 ZINC001364008578 982782510 /nfs/dbraw/zinc/78/25/10/982782510.db2.gz INMNTPJVUWREPG-VHSXEESVSA-N -1 0 312.413 -0.378 20 0 DBADRM Cc1ccc(CS(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC001364027020 982793337 /nfs/dbraw/zinc/79/33/37/982793337.db2.gz KEQYEUUVZOEPKL-VXGBXAGGSA-N -1 0 319.404 -0.428 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]N1CCCC1=O ZINC001364025242 982794149 /nfs/dbraw/zinc/79/41/49/982794149.db2.gz RVYFCXRAXHFWJZ-UHFFFAOYSA-N -1 0 305.337 -0.255 20 0 DBADRM COC(=O)C[C@H](O)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001364029613 982796049 /nfs/dbraw/zinc/79/60/49/982796049.db2.gz YWSINOONMNZXLH-QMMMGPOBSA-N -1 0 314.385 -0.993 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CC(=O)N(CC(C)C)C1)c1nnn[n-]1 ZINC001364028430 982798015 /nfs/dbraw/zinc/79/80/15/982798015.db2.gz LEDOBNSFXABBRM-VHSXEESVSA-N -1 0 310.358 -0.492 20 0 DBADRM COC[C@H](NC(=O)CS(=O)(=O)C1CCCC1)c1nnn[n-]1 ZINC001364032922 982800386 /nfs/dbraw/zinc/80/03/86/982800386.db2.gz PLLZBJMTYIJNBK-VIFPVBQESA-N -1 0 317.371 -0.639 20 0 DBADRM COC[C@@H](NC(=O)c1c(C)coc1CC(=O)OC)c1nnn[n-]1 ZINC001364032667 982801189 /nfs/dbraw/zinc/80/11/89/982801189.db2.gz OUWGPBPBMAKIGZ-MRVPVSSYSA-N -1 0 323.309 -0.066 20 0 DBADRM COC[C@@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1nnn[n-]1 ZINC001364040354 982804144 /nfs/dbraw/zinc/80/41/44/982804144.db2.gz YODWFCPJTYUZHL-SNVBAGLBSA-N -1 0 304.310 -0.094 20 0 DBADRM COC[C@H](CS(=O)(=O)NCc1nc(C(N)=O)cs1)OC ZINC001364042718 982804550 /nfs/dbraw/zinc/80/45/50/982804550.db2.gz ZSMWFXZUUYLNOF-SSDOTTSWSA-N -1 0 323.396 -0.677 20 0 DBADRM Cc1nc(CNS(=O)(=O)c2cn(C)cn2)sc1C(N)=O ZINC001364043763 982805081 /nfs/dbraw/zinc/80/50/81/982805081.db2.gz IIYSDUIDTWFIDP-UHFFFAOYSA-N -1 0 315.380 -0.238 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H]1COC[C@H]1C ZINC001364043503 982805223 /nfs/dbraw/zinc/80/52/23/982805223.db2.gz CGMXKVYMCBPACY-HTRCEHHLSA-N -1 0 303.340 -0.182 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)[N-]CC(F)(F)C(=O)OC ZINC001364056652 982810844 /nfs/dbraw/zinc/81/08/44/982810844.db2.gz VXXJVURRKQWBNB-ZCFIWIBFSA-N -1 0 303.283 -0.477 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)C[C@H]2CCC(=O)NC2)n[n-]1 ZINC001364060291 982812627 /nfs/dbraw/zinc/81/26/27/982812627.db2.gz WEBOURVRQHFYPD-ZCFIWIBFSA-N -1 0 301.328 -0.937 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CC(=O)N1 ZINC001364074273 982818192 /nfs/dbraw/zinc/81/81/92/982818192.db2.gz OTRITFDPUJVMJL-MRVPVSSYSA-N -1 0 302.290 -0.010 20 0 DBADRM COC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCCOC1 ZINC001364111498 982830137 /nfs/dbraw/zinc/83/01/37/982830137.db2.gz WCOGSPTXRFXHRE-RKDXNWHRSA-N -1 0 300.315 -0.753 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2c([O-])cc(F)cc2F)C[C@@H]1C(N)=O ZINC001364112018 982830434 /nfs/dbraw/zinc/83/04/34/982830434.db2.gz OXLJINSRXPZOKE-BQBZGAKWSA-N -1 0 313.260 -0.671 20 0 DBADRM Cc1nc(C)c(CCC(=O)NCC2N=NC(=O)N2C)c(=O)[nH]1 ZINC001364111455 982830521 /nfs/dbraw/zinc/83/05/21/982830521.db2.gz HEOVPUIVHUMDLH-UHFFFAOYSA-N -1 0 306.326 -0.118 20 0 DBADRM COC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCCOC1 ZINC001364111493 982830814 /nfs/dbraw/zinc/83/08/14/982830814.db2.gz WCOGSPTXRFXHRE-BDAKNGLRSA-N -1 0 300.315 -0.753 20 0 DBADRM C[S@](=O)[C@@H]1CC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001364126137 982835887 /nfs/dbraw/zinc/83/58/87/982835887.db2.gz LQQCZJDEQSUQGV-MRRMXDOQSA-N -1 0 323.378 -0.513 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCS(=O)(=O)CC1CC1 ZINC001364124895 982836017 /nfs/dbraw/zinc/83/60/17/982836017.db2.gz BEUNJQHXYZBQBP-UHFFFAOYSA-N -1 0 302.360 -0.939 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H]1CCCCS1(=O)=O ZINC001364133149 982836533 /nfs/dbraw/zinc/83/65/33/982836533.db2.gz OXXKFUPJYLAAAT-QMMMGPOBSA-N -1 0 302.360 -0.796 20 0 DBADRM Cc1occc1C(=O)NCC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001364204282 982855178 /nfs/dbraw/zinc/85/51/78/982855178.db2.gz KGKBLRIVBNGFDL-UHFFFAOYSA-N -1 0 306.278 -0.165 20 0 DBADRM Cn1nnc(C(=O)[N-]n2ccc(=O)[nH]c2=O)c1C(F)(F)F ZINC001364247976 982870676 /nfs/dbraw/zinc/87/06/76/982870676.db2.gz NQSBYZMSUXFOKL-UHFFFAOYSA-N -1 0 304.188 -0.520 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2C[C@H]2C2CC2)CCO1 ZINC000927949574 982920175 /nfs/dbraw/zinc/92/01/75/982920175.db2.gz IAJLRVFKFSRINB-WOPDTQHZSA-N -1 0 310.350 -0.149 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@](C)(CO)c1cccc(O)c1 ZINC001364366743 982943075 /nfs/dbraw/zinc/94/30/75/982943075.db2.gz BXPAIKBWWGLDCI-ZDUSSCGKSA-N -1 0 306.326 -0.150 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC2(CNC(=O)N2C)CC1 ZINC001364369930 982945627 /nfs/dbraw/zinc/94/56/27/982945627.db2.gz RDGDRIKLMVZUJS-UHFFFAOYSA-N -1 0 308.346 -0.864 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCNC(=O)[C@H]1c1cccs1 ZINC001364370093 982945685 /nfs/dbraw/zinc/94/56/85/982945685.db2.gz SBXYFCIJQVXQEG-SECBINFHSA-N -1 0 321.366 -0.119 20 0 DBADRM CCO[C@H]1C[C@@](CO)(NC(=O)N=c2nn[n-]n2CC)C1(C)C ZINC001364369910 982946634 /nfs/dbraw/zinc/94/66/34/982946634.db2.gz QPLOXDWQYKQYCA-ZANVPECISA-N -1 0 312.374 -0.198 20 0 DBADRM O=C([C@H]1CCc2nccn2C1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001364382565 982950735 /nfs/dbraw/zinc/95/07/35/982950735.db2.gz HGPIEEONQUNBCQ-UWVGGRQHSA-N -1 0 303.326 -0.441 20 0 DBADRM O=C([C@H]1CCn2cncc2C1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001364382356 982951325 /nfs/dbraw/zinc/95/13/25/982951325.db2.gz CFJIOSGCJNVGIO-ONGXEEELSA-N -1 0 303.326 -0.441 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)c2cn(C)nn2)c1[O-] ZINC001532186938 1014895901 /nfs/dbraw/zinc/89/59/01/1014895901.db2.gz WTPWJTQPMSCRIN-SSDOTTSWSA-N -1 0 321.341 -0.652 20 0 DBADRM CCN(CC)C(=O)CCC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001364384530 982954483 /nfs/dbraw/zinc/95/44/83/982954483.db2.gz YDLIMXZXOOTUEE-JTQLQIEISA-N -1 0 310.358 -0.252 20 0 DBADRM COC1(C(=O)N[C@H](C)c2nn(C)cc2[O-])CS(=O)(=O)C1 ZINC001364403317 982962015 /nfs/dbraw/zinc/96/20/15/982962015.db2.gz UJPVBYOTXKHBGO-SSDOTTSWSA-N -1 0 303.340 -0.884 20 0 DBADRM Cn1nccc1C[C@@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001364460970 983004808 /nfs/dbraw/zinc/00/48/08/983004808.db2.gz VSLYJCNKGIPKPC-JTQLQIEISA-N -1 0 306.326 -0.344 20 0 DBADRM CS(=O)(=O)CC1CCC(NC(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC001364504277 983026751 /nfs/dbraw/zinc/02/67/51/983026751.db2.gz GTGLQRYHOBICKV-UHFFFAOYSA-N -1 0 302.356 -0.157 20 0 DBADRM O=C(CNC(=O)c1n[nH]c(=O)[n-]1)Nc1ccc2c(c1)OCCO2 ZINC001364515763 983033748 /nfs/dbraw/zinc/03/37/48/983033748.db2.gz PIHRDLYMBGVSGE-UHFFFAOYSA-N -1 0 319.277 -0.350 20 0 DBADRM NC(=O)c1ncccc1C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001364527694 983039909 /nfs/dbraw/zinc/03/99/09/983039909.db2.gz GDYWLFIMCIMEBN-UHFFFAOYSA-N -1 0 301.310 -0.287 20 0 DBADRM CCc1noc(COCC(=O)N2CC[C@H](c3nnn[n-]3)C2)n1 ZINC001364568719 983056986 /nfs/dbraw/zinc/05/69/86/983056986.db2.gz RYECLVQDLKRBCH-QMMMGPOBSA-N -1 0 307.314 -0.322 20 0 DBADRM C[C@@H](O)C[C@@H](C)CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001364788676 983136004 /nfs/dbraw/zinc/13/60/04/983136004.db2.gz ZIONHDVPOSAGPP-HTQZYQBOSA-N -1 0 305.356 -0.829 20 0 DBADRM COC(=O)C1CCC(NS(=O)(=O)c2nncn2C)CC1 ZINC001364798779 983140570 /nfs/dbraw/zinc/14/05/70/983140570.db2.gz HSVHHBIHTUTRQM-UHFFFAOYSA-N -1 0 302.356 -0.175 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@@H](C(N)=O)c1ccc(F)cc1 ZINC001364811479 983146311 /nfs/dbraw/zinc/14/63/11/983146311.db2.gz AKPHMVYHZOJKRT-SECBINFHSA-N -1 0 323.371 -0.086 20 0 DBADRM COC[C@H](NC(=O)[C@@H](C)Oc1cccc(CO)c1)c1nnn[n-]1 ZINC001364814981 983150048 /nfs/dbraw/zinc/15/00/48/983150048.db2.gz OOSZKASCFBWMRA-SKDRFNHKSA-N -1 0 321.337 -0.037 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1)c1nnn[n-]1 ZINC001364813667 983150133 /nfs/dbraw/zinc/15/01/33/983150133.db2.gz JRZKORUKUPZFLX-BBBLOLIVSA-N -1 0 311.342 -0.017 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ncc[n-]1 ZINC001364815471 983152173 /nfs/dbraw/zinc/15/21/73/983152173.db2.gz ZQJLWSCGRGILCB-QMMMGPOBSA-N -1 0 308.385 -0.888 20 0 DBADRM NC(=O)c1cc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)co1 ZINC001364818491 983154291 /nfs/dbraw/zinc/15/42/91/983154291.db2.gz KYRZISSGWYMLTR-MRVPVSSYSA-N -1 0 304.310 -0.014 20 0 DBADRM C[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ncn(C)n1 ZINC001364823486 983155589 /nfs/dbraw/zinc/15/55/89/983155589.db2.gz SFEQIJJCRSYINO-MRVPVSSYSA-N -1 0 307.401 -0.028 20 0 DBADRM CN1N=C(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)CCC1=O ZINC001364821007 983156410 /nfs/dbraw/zinc/15/64/10/983156410.db2.gz WTRSOFZYNQQGHD-VIFPVBQESA-N -1 0 305.342 -0.411 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cc([O-])cc(F)c2)O1 ZINC001364829637 983160659 /nfs/dbraw/zinc/16/06/59/983160659.db2.gz KQJPSIWMAQJXHE-MWLCHTKSSA-N -1 0 318.326 -0.158 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H]1CC2(CCC2)CO1 ZINC001364829793 983161653 /nfs/dbraw/zinc/16/16/53/983161653.db2.gz JEZWHWVKIYQXTP-QWRGUYRKSA-N -1 0 321.395 -0.211 20 0 DBADRM O=c1nc(CCNS(=O)(=O)C[C@@H]2CC3(CCC3)CO2)[n-]o1 ZINC001364834471 983162950 /nfs/dbraw/zinc/16/29/50/983162950.db2.gz SMZMSHKOYFTMQI-VIFPVBQESA-N -1 0 317.367 -0.216 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ncc[n-]1 ZINC001364856834 983172475 /nfs/dbraw/zinc/17/24/75/983172475.db2.gz BPIMTFSYYIJUJF-HTQZYQBOSA-N -1 0 318.355 -0.856 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](O)Cc1ccccc1F ZINC001364859651 983173797 /nfs/dbraw/zinc/17/37/97/983173797.db2.gz BWMCQFZBYFEPGI-SECBINFHSA-N -1 0 310.285 -0.452 20 0 DBADRM C[C@@]1(C[N-]S(=O)(=O)N=S2(=O)CCCC2)CCC(=O)N1 ZINC001364875466 983180320 /nfs/dbraw/zinc/18/03/20/983180320.db2.gz STOVGLMMGMVBGB-JTQLQIEISA-N -1 0 309.413 -0.249 20 0 DBADRM C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)O2)CO1 ZINC001364878375 983181954 /nfs/dbraw/zinc/18/19/54/983181954.db2.gz OAYQDYJWJNJYOM-KKFJDGPESA-N -1 0 312.326 -0.468 20 0 DBADRM COC(=O)C[C@H](CNS(=O)(=O)c1nncn1C)C1CC1 ZINC001364884913 983185241 /nfs/dbraw/zinc/18/52/41/983185241.db2.gz UAJCIJJFHHNEHU-SECBINFHSA-N -1 0 302.356 -0.317 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H](CO)Cc2cnn(C)c2)nn1 ZINC001364888008 983185562 /nfs/dbraw/zinc/18/55/62/983185562.db2.gz NIONKDUULKCSJO-LLVKDONJSA-N -1 0 311.367 -0.600 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)[N-]N1CCCC1=O ZINC001364897050 983190358 /nfs/dbraw/zinc/19/03/58/983190358.db2.gz LSEOKCXJURUYFF-UHFFFAOYSA-N -1 0 305.337 -0.255 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1nc(N(C)C)n[nH]1 ZINC001364950829 983208837 /nfs/dbraw/zinc/20/88/37/983208837.db2.gz DAGBLJXABXGFRE-UHFFFAOYSA-N -1 0 324.432 -0.287 20 0 DBADRM CN1CCN(S(=O)(=O)[N-][C@@H](CCO)C(F)(F)F)CC1 ZINC001364967487 983216264 /nfs/dbraw/zinc/21/62/64/983216264.db2.gz MEPMPLQEJMFDHS-QMMMGPOBSA-N -1 0 305.322 -0.619 20 0 DBADRM CC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001532634224 1014925055 /nfs/dbraw/zinc/92/50/55/1014925055.db2.gz OUWUKFNVDQFDOV-WPRPVWTQSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC001365043996 983238408 /nfs/dbraw/zinc/23/84/08/983238408.db2.gz RLGQTIWNTMQSID-IUCAKERBSA-N -1 0 310.310 -0.450 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC([C@H]2COC(=O)N2)CC1 ZINC001365052651 983243451 /nfs/dbraw/zinc/24/34/51/983243451.db2.gz HECWMHNIMIIBTD-MRVPVSSYSA-N -1 0 311.298 -0.964 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC([C@]2(C)COC(=O)N2)CC1 ZINC001365055871 983244368 /nfs/dbraw/zinc/24/43/68/983244368.db2.gz DWLXWBMQMKSDBX-ZDUSSCGKSA-N -1 0 323.357 -0.143 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1cn(C(C)C)c(=O)[nH]c1=O ZINC001365056538 983244383 /nfs/dbraw/zinc/24/43/83/983244383.db2.gz QAUAIJAFVHCDJM-UHFFFAOYSA-N -1 0 322.329 -0.720 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC001365055945 983244972 /nfs/dbraw/zinc/24/49/72/983244972.db2.gz GEIFTQACIWQUJD-NXEZZACHSA-N -1 0 320.357 -0.110 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC([C@@]2(C)COC(=O)N2)CC1 ZINC001365055869 983245030 /nfs/dbraw/zinc/24/50/30/983245030.db2.gz DWLXWBMQMKSDBX-CYBMUJFWSA-N -1 0 323.357 -0.143 20 0 DBADRM C[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1nn(C)cc1[O-] ZINC001365121389 983266128 /nfs/dbraw/zinc/26/61/28/983266128.db2.gz SOLUCAJYQDYRBR-QMMMGPOBSA-N -1 0 321.341 -0.704 20 0 DBADRM NC(=O)NC(=O)CCNS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001365139970 983271469 /nfs/dbraw/zinc/27/14/69/983271469.db2.gz ZXTKCUJURNDYPI-UHFFFAOYSA-N -1 0 305.287 -0.605 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001365140758 983271819 /nfs/dbraw/zinc/27/18/19/983271819.db2.gz NYBVVLHJEJKSAR-MRVPVSSYSA-N -1 0 304.314 -0.977 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)C[C@H]2C=CS(=O)(=O)C2)n[n-]1 ZINC001365187418 983290536 /nfs/dbraw/zinc/29/05/36/983290536.db2.gz XQEIZMKIWZJORR-ZCFIWIBFSA-N -1 0 320.352 -0.905 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1n[nH]cc1Br ZINC001365200987 983294834 /nfs/dbraw/zinc/29/48/34/983294834.db2.gz DHLPLMSGUQLOTD-UHFFFAOYSA-N -1 0 315.135 -0.078 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCn2c(CC3CC3)nnc2C1 ZINC001365203517 983296103 /nfs/dbraw/zinc/29/61/03/983296103.db2.gz XAVREJPPEWYCPG-UHFFFAOYSA-N -1 0 317.357 -0.293 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H](OC(=O)N(C)C)C1 ZINC001365203131 983296332 /nfs/dbraw/zinc/29/63/32/983296332.db2.gz TXRVLTCSTGVPFC-SECBINFHSA-N -1 0 311.346 -0.191 20 0 DBADRM O=C(N[C@@H]1CCS(=O)(=O)C2(CCC2)C1)c1n[nH]c(=O)[n-]1 ZINC001365215067 983299735 /nfs/dbraw/zinc/29/97/35/983299735.db2.gz PDTBKRGSUNJERP-SSDOTTSWSA-N -1 0 300.340 -0.260 20 0 DBADRM O=C(NCc1nc2c(c(=O)[nH]1)COCC2)N[C@H]1CC12CC(O)C2 ZINC001365244822 983309221 /nfs/dbraw/zinc/30/92/21/983309221.db2.gz YYLWCMJTAXMHQT-DYNOMCFFSA-N -1 0 320.349 -0.033 20 0 DBADRM COC(=O)[C@@]1(NS(=O)(=O)c2nncn2C)CCSC1 ZINC001365390949 983361000 /nfs/dbraw/zinc/36/10/00/983361000.db2.gz UMPYWVLGRSUBBY-SECBINFHSA-N -1 0 306.369 -0.858 20 0 DBADRM Cc1cc(CNS(=O)(=O)N=[S@@](C)(=O)N(C)C)ncn1 ZINC001365391158 983361356 /nfs/dbraw/zinc/36/13/56/983361356.db2.gz WKAGBZZRUVTHRI-GOSISDBHSA-N -1 0 307.401 -0.306 20 0 DBADRM CS(=O)(=O)NCC1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001365399095 983364313 /nfs/dbraw/zinc/36/43/13/983364313.db2.gz MCOSZWIBSGSSQR-UHFFFAOYSA-N -1 0 322.412 -0.640 20 0 DBADRM C[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ncnn1C ZINC001365399674 983366103 /nfs/dbraw/zinc/36/61/03/983366103.db2.gz IJWYLQQESXNJOU-MRVPVSSYSA-N -1 0 307.401 -0.028 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCCNC1=O ZINC001365400830 983366121 /nfs/dbraw/zinc/36/61/21/983366121.db2.gz ZRRBHMKBXYCNNQ-ASCAZGACSA-N -1 0 311.429 -0.004 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@@]1(O)CCO[C@@H]1C ZINC001365406367 983366983 /nfs/dbraw/zinc/36/69/83/983366983.db2.gz QGUCGYOFEZJRCA-PELKAZGASA-N -1 0 319.335 -0.116 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NCc1nc2ncccn2n1 ZINC001365421598 983375321 /nfs/dbraw/zinc/37/53/21/983375321.db2.gz GRUCHBSZOZFZJN-QMMMGPOBSA-N -1 0 312.355 -0.980 20 0 DBADRM C[S@@](=O)(=NS(=O)(=O)[N-][C@H]1CCNC1=O)c1ccccc1 ZINC001365445307 983389233 /nfs/dbraw/zinc/38/92/33/983389233.db2.gz HSKIUMJZMULGRK-OVWNDWIMSA-N -1 0 317.392 -0.134 20 0 DBADRM CC(C)n1nnc([N-]S(=O)(=O)CCN2CCOC2=O)n1 ZINC001365465662 983397461 /nfs/dbraw/zinc/39/74/61/983397461.db2.gz TVNFAULMUDGRHY-UHFFFAOYSA-N -1 0 304.332 -0.552 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](Cc1ccccc1)C(=O)NC ZINC001365499887 983404024 /nfs/dbraw/zinc/40/40/24/983404024.db2.gz AIRHKLXEIQZKBR-LLVKDONJSA-N -1 0 317.353 -0.406 20 0 DBADRM CCn1[n-]nnc1=NC(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC001365502901 983404032 /nfs/dbraw/zinc/40/40/32/983404032.db2.gz GIQAJDBOUACVTJ-UHFFFAOYSA-N -1 0 307.318 -0.956 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1cccc(S(C)(=O)=O)c1 ZINC001365499973 983404094 /nfs/dbraw/zinc/40/40/94/983404094.db2.gz DJMOEUVIXRVVIH-UHFFFAOYSA-N -1 0 324.366 -0.160 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001365503266 983404116 /nfs/dbraw/zinc/40/41/16/983404116.db2.gz SJDQNHKWJDHMTJ-NXEZZACHSA-N -1 0 309.374 -0.117 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC001365500361 983404303 /nfs/dbraw/zinc/40/43/03/983404303.db2.gz LBCKJVQJTYPMFV-MRVPVSSYSA-N -1 0 302.360 -0.844 20 0 DBADRM CCCn1nccc1NC(=O)CN(CC(=O)[O-])CC(=O)OC ZINC001596121628 983459907 /nfs/dbraw/zinc/45/99/07/983459907.db2.gz FJXXLNVGDKGLIK-UHFFFAOYSA-N -1 0 312.326 -0.209 20 0 DBADRM CCN(C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)[C@H]1CCOC1 ZINC001596127115 983467130 /nfs/dbraw/zinc/46/71/30/983467130.db2.gz AHBOPILEYUTJEH-QMMMGPOBSA-N -1 0 310.310 -0.306 20 0 DBADRM CC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)OC ZINC001365678754 983475800 /nfs/dbraw/zinc/47/58/00/983475800.db2.gz IWCWTZXLSFCISS-IWEMQMMOSA-N -1 0 301.390 -0.653 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](CO)[C@H]1CCOC1 ZINC001365686346 983479485 /nfs/dbraw/zinc/47/94/85/983479485.db2.gz CFKIORILQFBAPZ-VHSXEESVSA-N -1 0 314.429 -0.274 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]CC1(O)CCOCC1 ZINC001365701231 983487033 /nfs/dbraw/zinc/48/70/33/983487033.db2.gz JGABQZXXNMRXAQ-UHFFFAOYSA-N -1 0 314.429 -0.130 20 0 DBADRM COCC[C@H](CO)[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001365703336 983489292 /nfs/dbraw/zinc/48/92/92/983489292.db2.gz XSUKVBWOORIQKO-MRVPVSSYSA-N -1 0 307.324 -0.258 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](CF)C(=O)OC ZINC001365710937 983494706 /nfs/dbraw/zinc/49/47/06/983494706.db2.gz ZONCBPMUWXNNFY-ZETCQYMHSA-N -1 0 304.365 -0.160 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@](C)(CO)C(=O)OC)o1 ZINC001365713454 983495512 /nfs/dbraw/zinc/49/55/12/983495512.db2.gz KUMGBKFMVNSEOA-LLVKDONJSA-N -1 0 321.307 -0.732 20 0 DBADRM COC1([C@H](C)NS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CCC1 ZINC001365715248 983495617 /nfs/dbraw/zinc/49/56/17/983495617.db2.gz NCOZFKFBXRIXOJ-QMMMGPOBSA-N -1 0 317.367 -0.278 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)N[C@](C)(CO)C(=O)OC)CC1 ZINC001365713600 983496472 /nfs/dbraw/zinc/49/64/72/983496472.db2.gz QWRREFLUGJTICH-LLVKDONJSA-N -1 0 323.367 -0.684 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N[C@@](C)(CO)C(=O)OC)C1 ZINC001365713487 983496828 /nfs/dbraw/zinc/49/68/28/983496828.db2.gz MAQRUOFZHYKSNS-PTRXPTGYSA-N -1 0 323.367 -0.829 20 0 DBADRM CCN(C(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1)C1CC1 ZINC001596143607 983497747 /nfs/dbraw/zinc/49/77/47/983497747.db2.gz QMLVGCVZNYXBLK-STQMWFEESA-N -1 0 323.393 -0.138 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC[C@@H]2CNC(=O)C2)on1 ZINC001365734588 983508553 /nfs/dbraw/zinc/50/85/53/983508553.db2.gz HMQMVHSXUXDJMA-ZETCQYMHSA-N -1 0 317.323 -0.734 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@H](CO)C[C@H]1CCCO1 ZINC001365737953 983514214 /nfs/dbraw/zinc/51/42/14/983514214.db2.gz UBYOGQLVFKICLU-DTWKUNHWSA-N -1 0 300.402 -0.522 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CC[C@H]3CO)cc-2c(=O)[n-]1 ZINC001365741066 983518226 /nfs/dbraw/zinc/51/82/26/983518226.db2.gz AQEWJUBZYPKHCV-LURJTMIESA-N -1 0 312.307 -0.809 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@]1(CC(=O)OC)CCCOC1 ZINC001365821704 983541841 /nfs/dbraw/zinc/54/18/41/983541841.db2.gz LCBSTTJLBPNABS-GFCCVEGCSA-N -1 0 312.330 -0.651 20 0 DBADRM Cc1nc(NC(=O)N2CCC(n3c(=O)[n-][nH]c3=O)CC2)nn1C ZINC001365912695 983591409 /nfs/dbraw/zinc/59/14/09/983591409.db2.gz OJVKNYIAUFOLAM-UHFFFAOYSA-N -1 0 322.329 -0.005 20 0 DBADRM O=C(CCc1c[nH]cn1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001365935511 983599182 /nfs/dbraw/zinc/59/91/82/983599182.db2.gz CTGSPYOJIAHTGX-LLVKDONJSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(CCn1cccn1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001365936352 983599511 /nfs/dbraw/zinc/59/95/11/983599511.db2.gz OZWZHSGMRVZQPX-NSHDSACASA-N -1 0 319.369 -0.122 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001365974050 983625966 /nfs/dbraw/zinc/62/59/66/983625966.db2.gz ONYOGQQNYRVDFB-GHMZBOCLSA-N -1 0 319.365 -0.252 20 0 DBADRM COC[C@H](C)[C@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001366238022 983749128 /nfs/dbraw/zinc/74/91/28/983749128.db2.gz LJALBHARWIAXCS-HKLXJQGRSA-N -1 0 323.397 -0.025 20 0 DBADRM COc1nccc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001366545957 983857019 /nfs/dbraw/zinc/85/70/19/983857019.db2.gz PNBLURTVJVAMGX-UHFFFAOYSA-N -1 0 307.314 -0.829 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ccc(F)cn1 ZINC001366584044 983868115 /nfs/dbraw/zinc/86/81/15/983868115.db2.gz DPWBHPJQNMNWLT-UHFFFAOYSA-N -1 0 324.316 -0.528 20 0 DBADRM C[C@@H](C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001366597173 983873111 /nfs/dbraw/zinc/87/31/11/983873111.db2.gz QXLRZQXLBVPWIF-SECBINFHSA-N -1 0 307.358 -0.405 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001366669746 983897970 /nfs/dbraw/zinc/89/79/70/983897970.db2.gz XODPXYVGNAWUSW-SNVBAGLBSA-N -1 0 324.385 -0.494 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC001366682959 983906587 /nfs/dbraw/zinc/90/65/87/983906587.db2.gz LXKOYYFFKIXAAE-MNOVXSKESA-N -1 0 319.369 -0.094 20 0 DBADRM C[C@@H](NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)c1ncccn1 ZINC001366773905 983990553 /nfs/dbraw/zinc/99/05/53/983990553.db2.gz IGLFVCDNELBWNY-SECBINFHSA-N -1 0 321.341 -0.712 20 0 DBADRM CO[C@H](C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC001366974505 984095865 /nfs/dbraw/zinc/09/58/65/984095865.db2.gz VCGJITAOERCPPF-LBPRGKRZSA-N -1 0 309.370 -0.127 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001367000663 984112008 /nfs/dbraw/zinc/11/20/08/984112008.db2.gz TYMSSNXXCYXNPL-GUBZILKMSA-N -1 0 322.369 -0.790 20 0 DBADRM O=C(CCc1cnccn1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001367036889 984157904 /nfs/dbraw/zinc/15/79/04/984157904.db2.gz ZSZPNHOWTNYHTE-LLVKDONJSA-N -1 0 317.353 -0.376 20 0 DBADRM CO[C@@H](C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001367058762 984172180 /nfs/dbraw/zinc/17/21/80/984172180.db2.gz UKERMBQDAGRAOW-CMPLNLGQSA-N -1 0 309.370 -0.032 20 0 DBADRM CO[C@@H](C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001367058797 984174022 /nfs/dbraw/zinc/17/40/22/984174022.db2.gz UKERMBQDAGRAOW-ZYHUDNBSSA-N -1 0 309.370 -0.032 20 0 DBADRM Cc1cc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001367797722 984626472 /nfs/dbraw/zinc/62/64/72/984626472.db2.gz UINRNXIEVBHPFW-VIFPVBQESA-N -1 0 305.342 -0.141 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001367810127 984639218 /nfs/dbraw/zinc/63/92/18/984639218.db2.gz ABHSBJSXKSFZEH-XPTSAGLGSA-N -1 0 324.385 -0.637 20 0 DBADRM Cc1oncc1CN(C)C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001367849006 984700220 /nfs/dbraw/zinc/70/02/20/984700220.db2.gz IOJIUVUBTVBPMW-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM C[C@@H](CN(C)C/C=C/Cl)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001367848151 984704894 /nfs/dbraw/zinc/70/48/94/984704894.db2.gz ICZLEUVCZSQOND-RTMURIBGSA-N -1 0 303.750 -0.122 20 0 DBADRM C[C@H](CN(C)C/C=C\Cl)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001367848152 984707598 /nfs/dbraw/zinc/70/75/98/984707598.db2.gz ICZLEUVCZSQOND-TUUFMJSCSA-N -1 0 303.750 -0.122 20 0 DBADRM CNC(=O)CCCC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001367943172 984810517 /nfs/dbraw/zinc/81/05/17/984810517.db2.gz PAOGOFDHMXOEAG-VIFPVBQESA-N -1 0 310.358 -0.883 20 0 DBADRM O=C(CCc1ccncn1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001368003570 984836531 /nfs/dbraw/zinc/83/65/31/984836531.db2.gz GKEYJZKNYZDCOL-UHFFFAOYSA-N -1 0 317.353 -0.329 20 0 DBADRM O=C(Cn1ccccc1=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001368032464 984850132 /nfs/dbraw/zinc/85/01/32/984850132.db2.gz ATKKXXPNBZEMTN-UHFFFAOYSA-N -1 0 318.337 -0.889 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368162722 984891955 /nfs/dbraw/zinc/89/19/55/984891955.db2.gz MNFXOWFLFFKWIY-SDBXPKJASA-N -1 0 310.358 -0.898 20 0 DBADRM Cc1coc(C(=O)NC[C@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001368270257 985013640 /nfs/dbraw/zinc/01/36/40/985013640.db2.gz WKYVHIKYIRCJIB-CQSZACIVSA-N -1 0 321.337 -0.221 20 0 DBADRM Cc1cc(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001368292938 985049575 /nfs/dbraw/zinc/04/95/75/985049575.db2.gz XBMDSYRVTUCQFC-UHFFFAOYSA-N -1 0 307.310 -0.612 20 0 DBADRM Cc1cncn1CC(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001368397848 985149316 /nfs/dbraw/zinc/14/93/16/985149316.db2.gz FKFBERMGGXPDMC-LLVKDONJSA-N -1 0 319.369 -0.252 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)CCCC(N)=O ZINC001368454679 985195703 /nfs/dbraw/zinc/19/57/03/985195703.db2.gz MXPZTVJJAOCANG-SECBINFHSA-N -1 0 310.358 -0.801 20 0 DBADRM CCN1CCO[C@@H](C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001596442712 1017147247 /nfs/dbraw/zinc/14/72/47/1017147247.db2.gz PBZYFKKGLIZYIU-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM O=C(Cc1ncc[nH]1)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001369137324 985757407 /nfs/dbraw/zinc/75/74/07/985757407.db2.gz IAPNNQMKQOLZTK-OWUUHHOZSA-N -1 0 317.353 -0.730 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)NC(C)(CO)CO)c(C(=O)[O-])c1C ZINC001589238356 985813183 /nfs/dbraw/zinc/81/31/83/985813183.db2.gz RJIHJQKZZFARMY-UHFFFAOYSA-N -1 0 312.322 -0.374 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)NCC2(CO)COC2)c(C(=O)[O-])c1C ZINC001589242233 985826955 /nfs/dbraw/zinc/82/69/55/985826955.db2.gz PZONCKCGWYKWOI-UHFFFAOYSA-N -1 0 324.333 -0.108 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)NCc2nnnn2C)c(C(=O)[O-])c1C ZINC001589243094 985833876 /nfs/dbraw/zinc/83/38/76/985833876.db2.gz GBXNEJFMDDFCOO-UHFFFAOYSA-N -1 0 320.309 -0.394 20 0 DBADRM O=C(Cc1ccsc1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001369315931 985870509 /nfs/dbraw/zinc/87/05/09/985870509.db2.gz VEFNAPSFDNFHJN-VIFPVBQESA-N -1 0 311.367 -0.619 20 0 DBADRM Cc1oc(C)c(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)c1C ZINC001369341773 985926792 /nfs/dbraw/zinc/92/67/92/985926792.db2.gz GWCHFPUURHNTFD-JTQLQIEISA-N -1 0 323.353 -0.091 20 0 DBADRM Cc1oc(C)c(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)c1C ZINC001369341778 985928454 /nfs/dbraw/zinc/92/84/54/985928454.db2.gz GWCHFPUURHNTFD-SNVBAGLBSA-N -1 0 323.353 -0.091 20 0 DBADRM CC(C)(C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C(F)F ZINC001369353402 985952982 /nfs/dbraw/zinc/95/29/82/985952982.db2.gz TVKLASVZKUFYQN-ZCFIWIBFSA-N -1 0 307.301 -0.632 20 0 DBADRM C[C@H](C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C(C)(F)F ZINC001369359493 985965531 /nfs/dbraw/zinc/96/55/31/985965531.db2.gz FVUVOCLGEFUJBA-RNFRBKRXSA-N -1 0 307.301 -0.632 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2ncn(C)n2)c1[O-] ZINC001533454492 1015177629 /nfs/dbraw/zinc/17/76/29/1015177629.db2.gz LCKWWOPQQGPEFH-ARJAWSKDSA-N -1 0 319.325 -0.732 20 0 DBADRM CCNC(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001596456069 1017149385 /nfs/dbraw/zinc/14/93/85/1017149385.db2.gz DVUKGGWJKDWGSU-RKDXNWHRSA-N -1 0 323.353 -0.572 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)Cc1ccco1 ZINC001369520770 986269200 /nfs/dbraw/zinc/26/92/00/986269200.db2.gz UXQBFXLMDIFGAR-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM CC(=O)N1CCC[C@@H]1CN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001369592012 986299126 /nfs/dbraw/zinc/29/91/26/986299126.db2.gz AHZZNLYRRXXDJF-SNVBAGLBSA-N -1 0 323.353 -0.315 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001596450438 1017150489 /nfs/dbraw/zinc/15/04/89/1017150489.db2.gz CDBYLHHLAYRLHX-NXEZZACHSA-N -1 0 315.370 -0.374 20 0 DBADRM C[C@H](CNC(=O)Cc1ccnn1C)NC(=O)c1cnc[nH]c1=O ZINC001533784942 1015216224 /nfs/dbraw/zinc/21/62/24/1015216224.db2.gz IOKFZKUIZARLEU-SECBINFHSA-N -1 0 318.337 -0.607 20 0 DBADRM O=C(NCCNC(=O)[C@H]1CCCO1)c1ccc2oc(=O)nc-2[n-]1 ZINC001491092945 1015226321 /nfs/dbraw/zinc/22/63/21/1015226321.db2.gz UHBRCMIDQTVQJM-SNVBAGLBSA-N -1 0 320.305 -0.047 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)c2cn(C)nn2)c1[O-] ZINC001370489907 986768440 /nfs/dbraw/zinc/76/84/40/986768440.db2.gz FIAAWFASTPKTDA-SSDOTTSWSA-N -1 0 321.341 -0.557 20 0 DBADRM C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)NC(=O)c1cn[nH]n1 ZINC001370515154 986783913 /nfs/dbraw/zinc/78/39/13/986783913.db2.gz NHCLAWCHHBJKNH-ZJUUUORDSA-N -1 0 322.369 -0.702 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C(C)(C)C ZINC001534413876 1015252385 /nfs/dbraw/zinc/25/23/85/1015252385.db2.gz QKBCACMEUWHQGE-QMMMGPOBSA-N -1 0 310.354 -0.234 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC(C)C1 ZINC001370564898 986803417 /nfs/dbraw/zinc/80/34/17/986803417.db2.gz VDTSYTOSZYEEFY-QJAFJHJLSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001370596137 986813077 /nfs/dbraw/zinc/81/30/77/986813077.db2.gz YEBNYQSDIOIEBB-CPOMMVLXSA-N -1 0 322.365 -0.107 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@@H](F)C(C)C)c1[O-] ZINC001370676675 986875562 /nfs/dbraw/zinc/87/55/62/986875562.db2.gz DSOMEQXCRYRXGE-BDAKNGLRSA-N -1 0 316.333 -0.375 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001491196460 1015286364 /nfs/dbraw/zinc/28/63/64/1015286364.db2.gz JVWKJYZEHQJZOB-LLVKDONJSA-N -1 0 324.385 -0.541 20 0 DBADRM CC(C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O)=C1CCCC1 ZINC001491218710 1015293105 /nfs/dbraw/zinc/29/31/05/1015293105.db2.gz NEZLZZKUACPLEJ-UHFFFAOYSA-N -1 0 323.353 -0.188 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCC1(CNC(=O)C2CC2)CC1 ZINC001371410605 987341735 /nfs/dbraw/zinc/34/17/35/987341735.db2.gz XBYXMGAAQNVXFC-UHFFFAOYSA-N -1 0 323.353 -0.498 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC001371489829 987378109 /nfs/dbraw/zinc/37/81/09/987378109.db2.gz OCBMGUYZEYQIGM-XHNCKOQMSA-N -1 0 308.342 -0.337 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)CCc2ccnn2C)c1[O-] ZINC001491232358 1015302107 /nfs/dbraw/zinc/30/21/07/1015302107.db2.gz PHPWOQXZHWFBNV-UHFFFAOYSA-N -1 0 320.353 -0.364 20 0 DBADRM CCNC(=O)CN1CC=C(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001596461482 1017152475 /nfs/dbraw/zinc/15/24/75/1017152475.db2.gz BDOUCSDYNCMBBK-NWDGAFQWSA-N -1 0 309.366 -0.409 20 0 DBADRM CCNC(=O)N1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001596468456 1017152512 /nfs/dbraw/zinc/15/25/12/1017152512.db2.gz OJDCFYJHTFGIDB-UHFFFAOYSA-N -1 0 319.383 -0.472 20 0 DBADRM CCNC(=O)NCCNS(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001596471242 1017152566 /nfs/dbraw/zinc/15/25/66/1017152566.db2.gz VUKUSOUUUZVWMZ-UHFFFAOYSA-N -1 0 321.399 -0.132 20 0 DBADRM CC[C@@H](SC)C(=O)NCCN(C)Cc1nc(=O)n(C)[nH]1 ZINC001371943867 987562634 /nfs/dbraw/zinc/56/26/34/987562634.db2.gz FWHYSLNJYNIJKK-SECBINFHSA-N -1 0 301.416 -0.202 20 0 DBADRM CCCN1C[C@H](C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001372135426 987657661 /nfs/dbraw/zinc/65/76/61/987657661.db2.gz YEKNNBGUOPSPRA-SNVBAGLBSA-N -1 0 324.385 -0.683 20 0 DBADRM CCNC(=O)N1CC[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001596468224 1017152916 /nfs/dbraw/zinc/15/29/16/1017152916.db2.gz HLTFLSBOAITSTF-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CCN(CCNC(=O)C1CCC(O)CC1)Cc1n[nH]c(=O)[n-]1 ZINC001372319128 987727461 /nfs/dbraw/zinc/72/74/61/987727461.db2.gz JTXNHDGVBKMLPT-UHFFFAOYSA-N -1 0 311.386 -0.001 20 0 DBADRM O=C(CN1CCCC1=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001372491039 987778711 /nfs/dbraw/zinc/77/87/11/987778711.db2.gz LLQCZFGFOBHDOZ-SNVBAGLBSA-N -1 0 322.369 -0.787 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)CC(C)(C)O)C2)c1[O-] ZINC001372496080 987780981 /nfs/dbraw/zinc/78/09/81/987780981.db2.gz CEJKGHQUGYBGSP-VIFPVBQESA-N -1 0 310.354 -0.085 20 0 DBADRM C[C@H]1CC[C@H](C(=O)NCCNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001491303036 1015338020 /nfs/dbraw/zinc/33/80/20/1015338020.db2.gz PAGKMBVGKOGOAL-UWVGGRQHSA-N -1 0 322.365 -0.232 20 0 DBADRM CC1(CC(=O)N[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001372629255 987832461 /nfs/dbraw/zinc/83/24/61/987832461.db2.gz ZLEBZUBNKDVZIP-OCAPTIKFSA-N -1 0 321.337 -0.150 20 0 DBADRM CCCN(CCNC(=O)c1cnn(C)c1N)Cc1n[nH]c(=O)[n-]1 ZINC001372688276 987845598 /nfs/dbraw/zinc/84/55/98/987845598.db2.gz KQTBTOOOCGDYGB-UHFFFAOYSA-N -1 0 322.373 -0.532 20 0 DBADRM CC(=O)N1CCC[C@H]([C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001372693329 987847225 /nfs/dbraw/zinc/84/72/25/987847225.db2.gz HROBYHJFVGEMHF-SCZZXKLOSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001372771195 987871068 /nfs/dbraw/zinc/87/10/68/987871068.db2.gz NTGWMBWGJJLPNM-POYBYMJQSA-N -1 0 311.342 -0.817 20 0 DBADRM Cn1cnc(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)c1 ZINC001372787528 987878896 /nfs/dbraw/zinc/87/88/96/987878896.db2.gz QUWTYINYUIGCIB-UHFFFAOYSA-N -1 0 305.342 -0.362 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@@]2(C)CNC(=O)C2)c1[O-] ZINC001372814089 987892855 /nfs/dbraw/zinc/89/28/55/987892855.db2.gz CTXPFNWJAPEXQQ-JKYUHCHBSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@H](C)n2cncn2)c1[O-] ZINC001372818925 987894434 /nfs/dbraw/zinc/89/44/34/987894434.db2.gz JDKULQOTNKUBAK-APPZFPTMSA-N -1 0 321.341 -0.489 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@@]2(F)CCOC2)c1[O-] ZINC001372825154 987899587 /nfs/dbraw/zinc/89/95/87/987899587.db2.gz RFVBJXINUONEGZ-FUXBKTLASA-N -1 0 314.317 -0.213 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@@]2(F)CCOC2)c1[O-] ZINC001372825163 987900585 /nfs/dbraw/zinc/90/05/85/987900585.db2.gz RFVBJXINUONEGZ-WPPNPWJKSA-N -1 0 314.317 -0.213 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)Cn3cncn3)CC2)c1[O-] ZINC001535210768 1015353562 /nfs/dbraw/zinc/35/35/62/1015353562.db2.gz MXLUYAFLGOBCQS-UHFFFAOYSA-N -1 0 319.325 -0.906 20 0 DBADRM C[C@@H](CNC(=O)CC1(C)CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001372981865 988016394 /nfs/dbraw/zinc/01/63/94/988016394.db2.gz VKFRIXCMOAARTC-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM CCOC(=O)[C@H](CC)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001596526319 1017153830 /nfs/dbraw/zinc/15/38/30/1017153830.db2.gz RWGJOJREZPSBRU-UTLUCORTSA-N -1 0 315.322 -0.092 20 0 DBADRM C[C@@H](Oc1cccnc1)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373456612 988368609 /nfs/dbraw/zinc/36/86/09/988368609.db2.gz TVCPGMWAZIAKQS-SECBINFHSA-N -1 0 318.337 -0.327 20 0 DBADRM C[C@H](Oc1cccnc1)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373456615 988369025 /nfs/dbraw/zinc/36/90/25/988369025.db2.gz TVCPGMWAZIAKQS-VIFPVBQESA-N -1 0 318.337 -0.327 20 0 DBADRM C[C@H](Cc1cnn(C)c1)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373465164 988377336 /nfs/dbraw/zinc/37/73/36/988377336.db2.gz DDLVNDPINVHLOM-SECBINFHSA-N -1 0 319.369 -0.577 20 0 DBADRM CC1(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)CCOCC1 ZINC001373543384 988437714 /nfs/dbraw/zinc/43/77/14/988437714.db2.gz IVSZCLAKCJLIPY-UHFFFAOYSA-N -1 0 309.370 -0.125 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@@H]1CC12CCC2 ZINC001373584691 988468625 /nfs/dbraw/zinc/46/86/25/988468625.db2.gz CMKNNVQTNYCHLP-QMMMGPOBSA-N -1 0 321.337 -0.339 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@H]1CC12CCC2 ZINC001373584688 988468831 /nfs/dbraw/zinc/46/88/31/988468831.db2.gz CMKNNVQTNYCHLP-MRVPVSSYSA-N -1 0 321.337 -0.339 20 0 DBADRM CC1CC(C(=O)N(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001373587159 988471679 /nfs/dbraw/zinc/47/16/79/988471679.db2.gz SMUZNSWBYBWOCC-UHFFFAOYSA-N -1 0 309.326 -0.483 20 0 DBADRM CN(CCNC(=O)CCCF)C(=O)c1cnc([O-])n(C)c1=O ZINC001373616183 988492806 /nfs/dbraw/zinc/49/28/06/988492806.db2.gz WIMGGOUVIVJCJR-UHFFFAOYSA-N -1 0 314.317 -0.576 20 0 DBADRM CN(CCNC(=O)CCCF)C(=O)c1c[n-]n2c1nccc2=O ZINC001373615980 988492876 /nfs/dbraw/zinc/49/28/76/988492876.db2.gz SZSFXGTXZHZGTG-UHFFFAOYSA-N -1 0 323.328 -0.040 20 0 DBADRM O=C(CCc1ccon1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373634590 988513980 /nfs/dbraw/zinc/51/39/80/988513980.db2.gz JCXXXLNSLIFVOG-SNVBAGLBSA-N -1 0 306.326 -0.178 20 0 DBADRM COC[C@@H](OC)C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373681179 988547912 /nfs/dbraw/zinc/54/79/12/988547912.db2.gz JMOXTCYWPIVEDG-VHSXEESVSA-N -1 0 313.358 -0.796 20 0 DBADRM CCOC(=O)C(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001596509776 1017154485 /nfs/dbraw/zinc/15/44/85/1017154485.db2.gz YMIWFXNMGHAYCY-UHFFFAOYSA-N -1 0 308.294 -0.614 20 0 DBADRM CCOC(=O)[C@H](CC)C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001596526317 1017154750 /nfs/dbraw/zinc/15/47/50/1017154750.db2.gz RWGJOJREZPSBRU-KXUCPTDWSA-N -1 0 315.322 -0.092 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001374042333 988748597 /nfs/dbraw/zinc/74/85/97/988748597.db2.gz LQVGWVAWAZNUBG-SECBINFHSA-N -1 0 311.342 -0.548 20 0 DBADRM CCOC(=O)[C@H](C(=O)NCCC(=O)NCCC(=O)[O-])C(C)C ZINC001596510682 1017154955 /nfs/dbraw/zinc/15/49/55/1017154955.db2.gz QNSHWIYNYWXBHB-LBPRGKRZSA-N -1 0 316.354 -0.081 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001374473164 988884043 /nfs/dbraw/zinc/88/40/43/988884043.db2.gz YONBHNUXXZHCLY-RKDXNWHRSA-N -1 0 311.342 -0.790 20 0 DBADRM CN(CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)Cc1nccn1C ZINC001374553198 988916684 /nfs/dbraw/zinc/91/66/84/988916684.db2.gz MYBCRFNCIIXJTP-UHFFFAOYSA-N -1 0 323.357 -0.987 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)cn1 ZINC001597703034 988935890 /nfs/dbraw/zinc/93/58/90/988935890.db2.gz RPUFHMPSTLDXJP-CQSZACIVSA-N -1 0 322.321 -0.273 20 0 DBADRM CCc1ncncc1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001597709338 988958788 /nfs/dbraw/zinc/95/87/88/988958788.db2.gz LQWKYSONLWAUBT-NXEZZACHSA-N -1 0 320.349 -0.052 20 0 DBADRM CCc1nn(C)c(Cl)c1C(=O)OCC(=O)NCC(=O)[O-] ZINC001597718618 988995904 /nfs/dbraw/zinc/99/59/04/988995904.db2.gz WDDYNWVZTHFWAH-UHFFFAOYSA-N -1 0 303.702 -0.007 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001597723149 989005327 /nfs/dbraw/zinc/00/53/27/989005327.db2.gz TXZZBAPNLYNDGL-RKDXNWHRSA-N -1 0 324.337 -0.785 20 0 DBADRM CC(C)CCC(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001374626158 989044149 /nfs/dbraw/zinc/04/41/49/989044149.db2.gz QBUXFSWMAXPUKF-UHFFFAOYSA-N -1 0 309.326 -0.340 20 0 DBADRM O=C(CCCC1CC1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001374727082 989172868 /nfs/dbraw/zinc/17/28/68/989172868.db2.gz RNQJBKQRWOJZBL-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@@H]1CN(CC(=O)N2CCOC[C@@H]2C2CC2)C[C@@H](C(=O)[O-])O1 ZINC001599864985 989233551 /nfs/dbraw/zinc/23/35/51/989233551.db2.gz DWTQAQATROFXQK-RTXFEEFZSA-N -1 0 312.366 -0.202 20 0 DBADRM CC1(C(=O)NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)CC=CC1 ZINC001491498089 1015458495 /nfs/dbraw/zinc/45/84/95/1015458495.db2.gz ZLZPAQFFSYPFHE-UHFFFAOYSA-N -1 0 309.326 -0.722 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCn1cncn1 ZINC001375001348 989355926 /nfs/dbraw/zinc/35/59/26/989355926.db2.gz GAJJIUZXHSYLLX-SECBINFHSA-N -1 0 308.346 -0.871 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cnc[nH]c1=O ZINC001375052181 989390374 /nfs/dbraw/zinc/39/03/74/989390374.db2.gz STXGWSGJXGKQGB-SSDOTTSWSA-N -1 0 307.314 -0.744 20 0 DBADRM C[C@@]1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(C(=O)C(F)F)C1 ZINC001536876035 1015473915 /nfs/dbraw/zinc/47/39/15/1015473915.db2.gz XFIXYUYWEOABNK-LLVKDONJSA-N -1 0 319.268 -0.938 20 0 DBADRM CC[C@H](F)C(=O)N[C@@H](CC)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001375170936 989465884 /nfs/dbraw/zinc/46/58/84/989465884.db2.gz PNDJKNYQLWGBDL-BQBZGAKWSA-N -1 0 315.305 -0.345 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001536984964 1015483012 /nfs/dbraw/zinc/48/30/12/1015483012.db2.gz UOLKDAYHGDXEHR-AOOOYVTPSA-N -1 0 311.338 -0.655 20 0 DBADRM C[C@@](CNC(=O)c1n[nH]c(=O)[n-]c1=O)(NC(=O)C1CC1)C1CC1 ZINC001375318336 989552233 /nfs/dbraw/zinc/55/22/33/989552233.db2.gz CFVIOEUNNCSEIA-AWEZNQCLSA-N -1 0 321.337 -0.293 20 0 DBADRM Cc1cc(CN2CC[C@@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001375363760 989575001 /nfs/dbraw/zinc/57/50/01/989575001.db2.gz ASLFPMBJXOHAQK-SNVBAGLBSA-N -1 0 322.325 -0.624 20 0 DBADRM Cc1oncc1CN1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001375367723 989576238 /nfs/dbraw/zinc/57/62/38/989576238.db2.gz MSVAHWQKKOXJHM-SNVBAGLBSA-N -1 0 322.325 -0.624 20 0 DBADRM CO[C@@H](C(=O)NCC1(NCc2nc(=O)n(C)[nH]2)CC1)C(C)C ZINC001375481610 989621468 /nfs/dbraw/zinc/62/14/68/989621468.db2.gz UCBGDGXZIRALEI-LLVKDONJSA-N -1 0 311.386 -0.482 20 0 DBADRM COCCC1(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001375689165 989748260 /nfs/dbraw/zinc/74/82/60/989748260.db2.gz RLPDYOQHZLBVGQ-UHFFFAOYSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1noc(CCC(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001375693665 989749778 /nfs/dbraw/zinc/74/97/78/989749778.db2.gz DUHKZSMYDIMFNB-UHFFFAOYSA-N -1 0 321.341 -0.523 20 0 DBADRM O=C(NCCCNC(=O)[C@H]1CC=CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001491587792 1015505510 /nfs/dbraw/zinc/50/55/10/1015505510.db2.gz ZJRXZZCHUYDALB-VIFPVBQESA-N -1 0 321.337 -0.125 20 0 DBADRM CC(C)[C@@H](CNC(=O)CC1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001375936549 989826107 /nfs/dbraw/zinc/82/61/07/989826107.db2.gz UFMPLSQIBWUROJ-SECBINFHSA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1ccc(C(=O)NC[C@@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001375997159 989836204 /nfs/dbraw/zinc/83/62/04/989836204.db2.gz NRUWUTHSDUWERT-AWEZNQCLSA-N -1 0 321.337 -0.221 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376033440 989849919 /nfs/dbraw/zinc/84/99/19/989849919.db2.gz NJBMGHTXORYXLE-WPRPVWTQSA-N -1 0 310.358 -0.885 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@H]1CCCN(CCF)C1 ZINC001376061768 989862666 /nfs/dbraw/zinc/86/26/66/989862666.db2.gz REJCCQLBRHCZSH-VIFPVBQESA-N -1 0 313.333 -0.235 20 0 DBADRM O=C(CCc1ccncn1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376126231 989894025 /nfs/dbraw/zinc/89/40/25/989894025.db2.gz OXIBAJJUVSSGLN-LLVKDONJSA-N -1 0 317.353 -0.376 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001376192632 989939665 /nfs/dbraw/zinc/93/96/65/989939665.db2.gz FCUQGSWESVXZKY-MXWKQRLJSA-N -1 0 321.381 -0.391 20 0 DBADRM CCO[N-]C(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@@H](C)O ZINC001540567989 1015523377 /nfs/dbraw/zinc/52/33/77/1015523377.db2.gz ILWDBCHYLISJLT-APPZFPTMSA-N -1 0 308.381 -0.157 20 0 DBADRM NC(=O)CCCNC(=O)c1nc[n-]c(=O)c1Br ZINC001540814333 1015527607 /nfs/dbraw/zinc/52/76/07/1015527607.db2.gz ZNBZOEGVDXKHDO-UHFFFAOYSA-N -1 0 303.116 -0.060 20 0 DBADRM CN(CCN(C)C(=O)C(C)(C)C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001376348442 990028132 /nfs/dbraw/zinc/02/81/32/990028132.db2.gz JMLIPWUVJIOTBQ-UHFFFAOYSA-N -1 0 313.358 -0.348 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2CCCNC2=O)s1 ZINC001542221736 1015529307 /nfs/dbraw/zinc/52/93/07/1015529307.db2.gz LWEVGVLGHTXSDN-RXMQYKEDSA-N -1 0 319.368 -0.626 20 0 DBADRM O=C(N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccco1 ZINC001376459586 990079123 /nfs/dbraw/zinc/07/91/23/990079123.db2.gz ZVIKHBCNNCNXOS-AWEZNQCLSA-N -1 0 321.337 -0.140 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001376546616 990173248 /nfs/dbraw/zinc/17/32/48/990173248.db2.gz QKCMCJMXPUCASA-IONNQARKSA-N -1 0 314.342 -0.944 20 0 DBADRM CCOC(=O)[C@H](CC)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001596528597 1017156579 /nfs/dbraw/zinc/15/65/79/1017156579.db2.gz WQSALFRGQFIVLV-ZJUUUORDSA-N -1 0 307.368 -0.098 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N1CCO[C@@H](CC(=O)[O-])C1)C(C)=O ZINC001596527475 1017156753 /nfs/dbraw/zinc/15/67/53/1017156753.db2.gz ZQQIDDSRGSVEAI-WDEREUQCSA-N -1 0 315.322 -0.153 20 0 DBADRM COCC(=O)NC[C@@H]1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)O1 ZINC001377044794 990427519 /nfs/dbraw/zinc/42/75/19/990427519.db2.gz QTOBDLNVSZWCIQ-VIFPVBQESA-N -1 0 311.342 -0.994 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001377149505 990458557 /nfs/dbraw/zinc/45/85/57/990458557.db2.gz RRBQIIWFLSQDQN-BMIGLBTASA-N -1 0 323.397 -0.001 20 0 DBADRM CC1(C)C[C@H]1C(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001377149508 990458791 /nfs/dbraw/zinc/45/87/91/990458791.db2.gz RRBQIIWFLSQDQN-BONVTDFDSA-N -1 0 323.397 -0.001 20 0 DBADRM CN(CCNC(=O)c1cn2c(n1)CCC2)Cc1n[nH]c(=O)[n-]1 ZINC001377158796 990462646 /nfs/dbraw/zinc/46/26/46/990462646.db2.gz BAUALIVBBGUKLJ-UHFFFAOYSA-N -1 0 305.342 -0.485 20 0 DBADRM C[C@H](CNC(=O)C1CCCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001377184053 990473632 /nfs/dbraw/zinc/47/36/32/990473632.db2.gz DPQPALSHOPGMPG-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM CCC[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001377186571 990475200 /nfs/dbraw/zinc/47/52/00/990475200.db2.gz OHEJCZYKFNUZJF-JGVFFNPUSA-N -1 0 311.342 -0.047 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1cccnc1 ZINC001377192574 990479670 /nfs/dbraw/zinc/47/96/70/990479670.db2.gz XFYHHPDFKKJTER-UHFFFAOYSA-N -1 0 304.310 -0.460 20 0 DBADRM CC(C)[C@H](F)C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001377204587 990482788 /nfs/dbraw/zinc/48/27/88/990482788.db2.gz RCEYCPAVBTUSML-APPZFPTMSA-N -1 0 317.321 -0.696 20 0 DBADRM CC[C@@H](C)CC(=O)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001491681949 1015567210 /nfs/dbraw/zinc/56/72/10/1015567210.db2.gz XUXFLGLIYYQAPN-SECBINFHSA-N -1 0 313.358 -0.252 20 0 DBADRM Cc1nc(CN(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)oc1C ZINC001377248490 990501961 /nfs/dbraw/zinc/50/19/61/990501961.db2.gz QHRNHLHWDIKEII-UHFFFAOYSA-N -1 0 324.341 -0.458 20 0 DBADRM CN(CCNC(=O)CNC(=O)C(C)(C)C)Cc1n[nH]c(=O)[n-]1 ZINC001377264748 990509032 /nfs/dbraw/zinc/50/90/32/990509032.db2.gz HXZBJLLDZJBWLN-UHFFFAOYSA-N -1 0 312.374 -0.779 20 0 DBADRM CCN(CCNC(=O)CN(C)C(=O)C1CC1)Cc1n[nH]c(=O)[n-]1 ZINC001377314546 990528304 /nfs/dbraw/zinc/52/83/04/990528304.db2.gz VZVCZYDRLZUORD-UHFFFAOYSA-N -1 0 324.385 -0.683 20 0 DBADRM O=C(C[C@@H]1CCNC1=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001377398984 990572525 /nfs/dbraw/zinc/57/25/25/990572525.db2.gz NUOKZHPHWKDURW-VHSXEESVSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1ccnn1CC(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001377538857 990646939 /nfs/dbraw/zinc/64/69/39/990646939.db2.gz PUNCEBHCWQKCQY-QMMMGPOBSA-N -1 0 320.353 -0.137 20 0 DBADRM C[C@H](C(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1CC1 ZINC001377552664 990652296 /nfs/dbraw/zinc/65/22/96/990652296.db2.gz UKSUOAVSKUUIHY-JTQLQIEISA-N -1 0 323.397 -0.001 20 0 DBADRM C[C@@H](CNC(=O)CC(C)(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001377854256 990757823 /nfs/dbraw/zinc/75/78/23/990757823.db2.gz WWLGSPWMSCIFOX-YFKPBYRVSA-N -1 0 319.268 -0.437 20 0 DBADRM Cc1ccn(C[C@@H](C)C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001377883908 990772644 /nfs/dbraw/zinc/77/26/44/990772644.db2.gz SKJRDNBXSOMPMN-SECBINFHSA-N -1 0 319.369 -0.348 20 0 DBADRM CN(C(=O)CCn1ccnn1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378154536 990871058 /nfs/dbraw/zinc/87/10/58/990871058.db2.gz QTXDVQGVARDMQE-SNVBAGLBSA-N -1 0 320.357 -0.775 20 0 DBADRM CCC(=O)NC[C@@H]1CCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001378177919 990875240 /nfs/dbraw/zinc/87/52/40/990875240.db2.gz IAVSQYPORQOJFP-VIFPVBQESA-N -1 0 303.322 -0.237 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)Cn2cccn2)c1[O-] ZINC001378234876 990891419 /nfs/dbraw/zinc/89/14/19/990891419.db2.gz ZBOHLBKVPYBYKJ-SNVBAGLBSA-N -1 0 318.337 -0.349 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC1(F)F ZINC001378283239 990912768 /nfs/dbraw/zinc/91/27/68/990912768.db2.gz KBJVDMFYRPLOLM-ZETCQYMHSA-N -1 0 317.296 -0.782 20 0 DBADRM C[C@@H](NC(=O)Cc1ncc[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378566846 991038841 /nfs/dbraw/zinc/03/88/41/991038841.db2.gz ZAGANFVQSOEYGS-MRVPVSSYSA-N -1 0 305.342 -0.587 20 0 DBADRM CC(C)(O)CC(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001378696169 991115348 /nfs/dbraw/zinc/11/53/48/991115348.db2.gz RICXIVABNWCXFT-OWUUHHOZSA-N -1 0 309.370 -0.535 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)[C@H]3CCC(=O)N3)CC2)c1[O-] ZINC001378749054 991144151 /nfs/dbraw/zinc/14/41/51/991144151.db2.gz VJJBBHVIRIMUFF-MRVPVSSYSA-N -1 0 321.337 -0.919 20 0 DBADRM CC/C(C)=C/C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001491821920 1015638958 /nfs/dbraw/zinc/63/89/58/1015638958.db2.gz GGQLMQGGZBHZDZ-BNICOGTQSA-N -1 0 321.337 -0.030 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N[C@H]1CCO[C@H]1C(=O)[O-])C(C)=O ZINC001596526395 1017158406 /nfs/dbraw/zinc/15/84/06/1017158406.db2.gz MZHTWLFOIPVWJH-WCABBAIRSA-N -1 0 301.295 -0.497 20 0 DBADRM Cc1ccccc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001379354751 991571148 /nfs/dbraw/zinc/57/11/48/991571148.db2.gz DYDWDDKNAFFQGZ-SNVBAGLBSA-N -1 0 305.338 -0.301 20 0 DBADRM CSC[C@H](C)C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001379365493 991590372 /nfs/dbraw/zinc/59/03/72/991590372.db2.gz DRSAPNYGNHJXJL-YUMQZZPRSA-N -1 0 303.388 -0.924 20 0 DBADRM Cc1ccncc1CC(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001379411449 991643833 /nfs/dbraw/zinc/64/38/33/991643833.db2.gz NSONWAADTSMAEN-LLVKDONJSA-N -1 0 320.353 -0.977 20 0 DBADRM CCC1(C(=O)N(C)C2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001379448706 991682444 /nfs/dbraw/zinc/68/24/44/991682444.db2.gz OMLDRFMKJFMRCN-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM CC(C)=CC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001491862143 1015655371 /nfs/dbraw/zinc/65/53/71/1015655371.db2.gz BCMWBYLRRIGRFJ-MRVPVSSYSA-N -1 0 307.310 -0.420 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)Cc2cn(C)nn2)c1[O-] ZINC001379640416 991831608 /nfs/dbraw/zinc/83/16/08/991831608.db2.gz HXJALDWQLDIIDM-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cc2n(n1)CCO2 ZINC001379673772 991843676 /nfs/dbraw/zinc/84/36/76/991843676.db2.gz AEAAIALPKVCCSR-QMMMGPOBSA-N -1 0 321.341 -0.651 20 0 DBADRM C[C@H](CN(C)Cc1cnn(C)c1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001379711893 991862005 /nfs/dbraw/zinc/86/20/05/991862005.db2.gz QYPGHBFKVHBANE-MRVPVSSYSA-N -1 0 321.341 -0.733 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCN1CCCC1=O ZINC001379787208 991909378 /nfs/dbraw/zinc/90/93/78/991909378.db2.gz IRKZJPYBBSLZBY-JTQLQIEISA-N -1 0 324.385 -0.541 20 0 DBADRM Cc1conc1CN(C)C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001379792299 991912973 /nfs/dbraw/zinc/91/29/73/991912973.db2.gz WIVIRKJMBQCOTQ-SECBINFHSA-N -1 0 324.341 -0.378 20 0 DBADRM C[C@]1(CNC(=O)C2CC2)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001379899469 992014964 /nfs/dbraw/zinc/01/49/64/992014964.db2.gz HVBHASLPIKGFIM-CQSZACIVSA-N -1 0 323.353 -0.546 20 0 DBADRM CCOC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001596580038 1017160071 /nfs/dbraw/zinc/16/00/71/1017160071.db2.gz IHJLEYBTBVKKJB-SSDOTTSWSA-N -1 0 318.307 -0.054 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@](O)(CNC(=O)C3CCC3)C2)c1[O-] ZINC001380086264 992131863 /nfs/dbraw/zinc/13/18/63/992131863.db2.gz BSIDUVYAKHINIR-HNNXBMFYSA-N -1 0 322.365 -0.083 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)CCO1 ZINC001596579888 1017160208 /nfs/dbraw/zinc/16/02/08/1017160208.db2.gz GQRMZRDXZYPQJW-SNVBAGLBSA-N -1 0 311.294 -0.628 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@]2(O)CCN(C(=O)C3CCC3)C2)c1[O-] ZINC001380141346 992173282 /nfs/dbraw/zinc/17/32/82/992173282.db2.gz USROBXGNXLRMAY-HNNXBMFYSA-N -1 0 322.365 -0.083 20 0 DBADRM Cn1cncc1CCC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001380163020 992184151 /nfs/dbraw/zinc/18/41/51/992184151.db2.gz HGSFYBOZUFNIGU-UHFFFAOYSA-N -1 0 319.369 -0.385 20 0 DBADRM NC(=O)[C@@H]1CCO[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001549039897 1015693811 /nfs/dbraw/zinc/69/38/11/1015693811.db2.gz DBKXFUIOANLPPL-DDHJBXDOSA-N -1 0 310.350 -0.164 20 0 DBADRM NC(=O)[C@@H]1CCO[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001549039902 1015692914 /nfs/dbraw/zinc/69/29/14/1015692914.db2.gz DBKXFUIOANLPPL-WRWGMCAJSA-N -1 0 310.350 -0.164 20 0 DBADRM CC(=O)NCC1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001380311812 992249078 /nfs/dbraw/zinc/24/90/78/992249078.db2.gz YDLQPSXYMOFELE-UHFFFAOYSA-N -1 0 309.326 -0.754 20 0 DBADRM CCOC(=O)[C@@H]1CNCCN1C(=O)c1csc(C(=O)[O-])n1 ZINC001596585218 1017161137 /nfs/dbraw/zinc/16/11/37/1017161137.db2.gz KASGCFZDZTUNOW-QMMMGPOBSA-N -1 0 313.335 -0.182 20 0 DBADRM CC(C)CC(=O)N[C@H](C)[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001380369970 992283546 /nfs/dbraw/zinc/28/35/46/992283546.db2.gz HYCCYSJIKPUBAK-HTQZYQBOSA-N -1 0 311.342 -0.048 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)c2cnnn2C)c1[O-] ZINC001380439950 992316229 /nfs/dbraw/zinc/31/62/29/992316229.db2.gz VBNTVTKWAGEJFI-RQJHMYQMSA-N -1 0 321.341 -0.511 20 0 DBADRM Cn1nccc1[C@@H]1[C@H](NC(=O)C2(C(=O)[O-])CC2)CC(=O)N1C ZINC001549076364 1015702210 /nfs/dbraw/zinc/70/22/10/1015702210.db2.gz HPRSPLWYRNKYQY-KCJUWKMLSA-N -1 0 306.322 -0.327 20 0 DBADRM CC1(C)CC[C@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380611866 992437381 /nfs/dbraw/zinc/43/73/81/992437381.db2.gz FMYKHOWALAFQMZ-VIFPVBQESA-N -1 0 309.370 -0.391 20 0 DBADRM C[C@H]1CN(C(=O)C2(C(=O)[O-])CC2)C[C@H]1C(=O)N1CCOCC1 ZINC001549172410 1015709480 /nfs/dbraw/zinc/70/94/80/1015709480.db2.gz MDGKQAANADLJLI-WDEREUQCSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC001549181112 1015709924 /nfs/dbraw/zinc/70/99/24/1015709924.db2.gz QAYYZLVTBHMTEU-JFGNBEQYSA-N -1 0 304.368 -0.394 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC001549180606 1015710720 /nfs/dbraw/zinc/71/07/20/1015710720.db2.gz GFBFVOXWNKIMEY-NTZNESFSSA-N -1 0 318.395 -0.004 20 0 DBADRM NC(=O)c1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cn1 ZINC001549218523 1015711385 /nfs/dbraw/zinc/71/13/85/1015711385.db2.gz BNNQYISXXZKMAA-XPTSAGLGSA-N -1 0 305.290 -0.646 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001549222016 1015712168 /nfs/dbraw/zinc/71/21/68/1015712168.db2.gz LOONBRBGXWPHTR-TVQRCGJNSA-N -1 0 319.379 -0.241 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)CN1CCCCCC1=O)C2 ZINC001549227366 1015712285 /nfs/dbraw/zinc/71/22/85/1015712285.db2.gz APLYWXXPOMEBBA-XHDPSFHLSA-N -1 0 310.350 -0.051 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC001549229046 1015712555 /nfs/dbraw/zinc/71/25/55/1015712555.db2.gz JEFQIVAAIOPZSU-SLEUVZQESA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2 ZINC001549229699 1015713102 /nfs/dbraw/zinc/71/31/02/1015713102.db2.gz LFJKIVMJRNYCOZ-LKFCYVNXSA-N -1 0 302.290 -0.098 20 0 DBADRM CC(C)(C)n1nnc(C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001549230481 1015713271 /nfs/dbraw/zinc/71/32/71/1015713271.db2.gz WXEJJSCQCUGUNP-OQPBUACISA-N -1 0 309.326 -0.399 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)Cc1nc3ncccn3n1)C2 ZINC001549306115 1015721940 /nfs/dbraw/zinc/72/19/40/1015721940.db2.gz PIVKWRRNIWSBLE-OTYXRUKQSA-N -1 0 317.305 -0.774 20 0 DBADRM Cc1cnc2nc(C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)nn2c1 ZINC001549306018 1015722032 /nfs/dbraw/zinc/72/20/32/1015722032.db2.gz NVUMYWFXWGDSRK-XPTSAGLGSA-N -1 0 317.305 -0.394 20 0 DBADRM Nc1c(-n2cccn2)ncnc1N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549299461 1015717987 /nfs/dbraw/zinc/71/79/87/1015717987.db2.gz QBVSJMUOOFYCHL-OTYXRUKQSA-N -1 0 316.321 -0.218 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001380956813 992608312 /nfs/dbraw/zinc/60/83/12/992608312.db2.gz CUSKEUURKRSKKC-UHFFFAOYSA-N -1 0 323.357 -0.158 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549304336 1015720760 /nfs/dbraw/zinc/72/07/60/1015720760.db2.gz AKBFEXFQAWASGG-BMIGLBTASA-N -1 0 320.349 -0.205 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)c1ccnc3c1CC(=O)N3)C2 ZINC001549306182 1015721450 /nfs/dbraw/zinc/72/14/50/1015721450.db2.gz QFXBEDMMNFEJJZ-GLEZIHRCSA-N -1 0 317.301 -0.251 20 0 DBADRM CC(C)CC(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001381034510 992637144 /nfs/dbraw/zinc/63/71/44/992637144.db2.gz IZYMUNSZVBDPBJ-CQSZACIVSA-N -1 0 311.386 -0.001 20 0 DBADRM CC(C)C(=O)N[C@@H](C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001381149841 992686802 /nfs/dbraw/zinc/68/68/02/992686802.db2.gz QYTPBHJYZDPAOL-VIFPVBQESA-N -1 0 322.365 -0.281 20 0 DBADRM O=C(N[C@H]1C[C@H](N2CCOCC2)C12CCC2)c1n[nH]c(=O)[n-]1 ZINC001549514556 1015731602 /nfs/dbraw/zinc/73/16/02/1015731602.db2.gz GSOPFOYMMZGXBA-UWVGGRQHSA-N -1 0 307.354 -0.117 20 0 DBADRM COCCCC(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001492197757 1015734783 /nfs/dbraw/zinc/73/47/83/1015734783.db2.gz DLBLYPGLFGXVOY-UHFFFAOYSA-N -1 0 321.381 -0.003 20 0 DBADRM Cc1cnc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001381535229 992831563 /nfs/dbraw/zinc/83/15/63/992831563.db2.gz BXDJIGWMAWVEPN-SECBINFHSA-N -1 0 305.342 -0.141 20 0 DBADRM C[C@@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)N(C)CCF ZINC001381538703 992833502 /nfs/dbraw/zinc/83/35/02/992833502.db2.gz IVYFBVNWFCCXOL-VIFPVBQESA-N -1 0 303.338 -0.125 20 0 DBADRM CC1(C)CC(C(=O)NC2(CCO)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001381655540 992859167 /nfs/dbraw/zinc/85/91/67/992859167.db2.gz RWICEPHODRXMOL-UHFFFAOYSA-N -1 0 323.397 -0.001 20 0 DBADRM C[C@@H](CN(C)C(=O)C(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001381795678 992882313 /nfs/dbraw/zinc/88/23/13/992882313.db2.gz PRXWZPFDWPDPQS-BYPYZUCNSA-N -1 0 305.241 -0.875 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381810864 992888560 /nfs/dbraw/zinc/88/85/60/992888560.db2.gz WZYCEPDVDQVYST-SNVBAGLBSA-N -1 0 319.369 -0.348 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)Cc2cc[nH]n2)c1[O-] ZINC001381908308 992917328 /nfs/dbraw/zinc/91/73/28/992917328.db2.gz BNMCVNIMUOTAET-QMMMGPOBSA-N -1 0 320.353 -0.034 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)c2ncn(C)n2)c1[O-] ZINC001381948077 992934404 /nfs/dbraw/zinc/93/44/04/992934404.db2.gz NZFVVMILHXVTRK-SSDOTTSWSA-N -1 0 321.341 -0.557 20 0 DBADRM CCOC(=O)CCCNC(=O)CN1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001596604094 1017162929 /nfs/dbraw/zinc/16/29/29/1017162929.db2.gz XYVUVDDNERKYKY-GWCFXTLKSA-N -1 0 316.354 -0.644 20 0 DBADRM COc1cc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)sn1 ZINC001492256477 1015754507 /nfs/dbraw/zinc/75/45/07/1015754507.db2.gz BEENSUZLXYIWTF-UHFFFAOYSA-N -1 0 312.355 -0.163 20 0 DBADRM C[C@H]1CC[C@H](C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)CC1 ZINC001382268761 993109028 /nfs/dbraw/zinc/10/90/28/993109028.db2.gz RPRRWRYGLGDHKP-DCAQKATOSA-N -1 0 311.386 -0.097 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC23CCC3)c1[O-] ZINC001382391354 993199810 /nfs/dbraw/zinc/19/98/10/993199810.db2.gz KOMXRTATZLRUJO-NXEZZACHSA-N -1 0 322.365 -0.179 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001596594105 1017163546 /nfs/dbraw/zinc/16/35/46/1017163546.db2.gz FAIMQHOXPHZGDN-SECBINFHSA-N -1 0 303.311 -0.702 20 0 DBADRM CCc1nnsc1C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001492322818 1015778551 /nfs/dbraw/zinc/77/85/51/1015778551.db2.gz VEFKUMCLNBEYEM-UHFFFAOYSA-N -1 0 311.371 -0.214 20 0 DBADRM CCCC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001382769455 993419713 /nfs/dbraw/zinc/41/97/13/993419713.db2.gz OEJRVBWIGIWZIU-JGVFFNPUSA-N -1 0 309.326 -0.198 20 0 DBADRM CCCC(=O)NC[C@@H](C)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001382888833 993436908 /nfs/dbraw/zinc/43/69/08/993436908.db2.gz RSYURIALKQOICA-SECBINFHSA-N -1 0 310.354 -0.137 20 0 DBADRM CN(CCCNC(=O)C1(C)CC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001492387498 1015794510 /nfs/dbraw/zinc/79/45/10/1015794510.db2.gz KQPFHKVLCZZFMP-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM CCCC(=O)N(C)C1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001383388933 993639392 /nfs/dbraw/zinc/63/93/92/993639392.db2.gz VMKOREZQHRSOOF-UHFFFAOYSA-N -1 0 309.326 -0.198 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)CNC(=O)N1CCCC1)C2 ZINC001550345746 1015802530 /nfs/dbraw/zinc/80/25/30/1015802530.db2.gz MBBIQPZBGFRYAB-IINYFYTJSA-N -1 0 311.338 -0.649 20 0 DBADRM CCOC(=O)Cn1cnc(NC(=O)c2cc(C(=O)[O-])on2)n1 ZINC001596637904 1017165648 /nfs/dbraw/zinc/16/56/48/1017165648.db2.gz QFOGKCLLVCDTBA-UHFFFAOYSA-N -1 0 309.238 -0.220 20 0 DBADRM CN(CCNC(=O)c1cnc2cccnn21)Cc1n[nH]c(=O)[n-]1 ZINC001492448579 1015805938 /nfs/dbraw/zinc/80/59/38/1015805938.db2.gz XHNRXRHLTKPIMW-UHFFFAOYSA-N -1 0 316.325 -0.585 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001596683649 1017167020 /nfs/dbraw/zinc/16/70/20/1017167020.db2.gz NNDXBVXNYVSCAP-DOLQZWNJSA-N -1 0 313.306 -0.482 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001596683662 1017167121 /nfs/dbraw/zinc/16/71/21/1017167121.db2.gz NNDXBVXNYVSCAP-ZYUZMQFOSA-N -1 0 313.306 -0.482 20 0 DBADRM CC(C)C(=O)NC[C@H]1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001384175635 993983694 /nfs/dbraw/zinc/98/36/94/993983694.db2.gz IQYSQPKYJZZVDH-IUCAKERBSA-N -1 0 323.353 -0.047 20 0 DBADRM CCCC(=O)N(C)C[C@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001384314468 994090658 /nfs/dbraw/zinc/09/06/58/994090658.db2.gz GRLFWTDNDSSBTD-SNVBAGLBSA-N -1 0 322.365 -0.041 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001400390800 994110245 /nfs/dbraw/zinc/11/02/45/994110245.db2.gz XLLWEGRQTGBCFS-JTQLQIEISA-N -1 0 323.353 -0.767 20 0 DBADRM CCN(CCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)=O ZINC001492996937 1015835646 /nfs/dbraw/zinc/83/56/46/1015835646.db2.gz UQEYWZRNBKWBIH-UHFFFAOYSA-N -1 0 320.353 -0.554 20 0 DBADRM COCC1(CC(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001400467953 994167412 /nfs/dbraw/zinc/16/74/12/994167412.db2.gz HSKKNERAYWYRDQ-UHFFFAOYSA-N -1 0 309.370 -0.125 20 0 DBADRM CC1CC(C(=O)N2CC[C@@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001400478679 994176950 /nfs/dbraw/zinc/17/69/50/994176950.db2.gz NFWFYRZELJCFIV-UDNWOFFPSA-N -1 0 323.353 -0.548 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001400484135 994180335 /nfs/dbraw/zinc/18/03/35/994180335.db2.gz PNHOMYGPNNUVQI-NKWVEPMBSA-N -1 0 313.289 -0.638 20 0 DBADRM C[C@H](C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn(C)c1 ZINC001400574934 994240155 /nfs/dbraw/zinc/24/01/55/994240155.db2.gz OTTDULAAGYTYGY-VIFPVBQESA-N -1 0 319.369 -0.405 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC001552209302 1015849314 /nfs/dbraw/zinc/84/93/14/1015849314.db2.gz VASIOLKSVZHLJV-OAHLLOKOSA-N -1 0 316.317 -0.173 20 0 DBADRM Cn1cc([C@H]2OCCC[C@@H]2C(=O)Nn2c(=O)[n-][nH]c2=O)cn1 ZINC001552229065 1015849829 /nfs/dbraw/zinc/84/98/29/1015849829.db2.gz XGUBCLLKRVMHDS-DTWKUNHWSA-N -1 0 308.298 -0.339 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001400711727 994310830 /nfs/dbraw/zinc/31/08/30/994310830.db2.gz IFZUUZIPJZBRTA-MRVPVSSYSA-N -1 0 323.353 -0.769 20 0 DBADRM CC[C@@H](C)C(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001400721833 994315070 /nfs/dbraw/zinc/31/50/70/994315070.db2.gz PQZKLKSLLHUCEK-MRVPVSSYSA-N -1 0 311.342 -0.595 20 0 DBADRM CCC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001385134257 994381861 /nfs/dbraw/zinc/38/18/61/994381861.db2.gz IIKQLWPJNQVEMM-SECBINFHSA-N -1 0 323.353 -0.719 20 0 DBADRM Cc1nccn1CCNC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552403590 1015857506 /nfs/dbraw/zinc/85/75/06/1015857506.db2.gz RSMUIRUZYUGAJU-RISCZKNCSA-N -1 0 308.338 -0.066 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)N[C@@H]1CCCn3ncnc31)C2 ZINC001552402699 1015857520 /nfs/dbraw/zinc/85/75/20/1015857520.db2.gz LBGNLNFQNTZTGY-IMSIIYSGSA-N -1 0 321.337 -0.144 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001552396737 1015857567 /nfs/dbraw/zinc/85/75/67/1015857567.db2.gz AIDUAJOSXKWJIP-YCWTYVPXSA-N -1 0 311.338 -0.617 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552403285 1015857615 /nfs/dbraw/zinc/85/76/15/1015857615.db2.gz NDQQDKUREINJFU-BHDSKKPTSA-N -1 0 313.354 -0.404 20 0 DBADRM C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001552398875 1015857751 /nfs/dbraw/zinc/85/77/51/1015857751.db2.gz LLERTBUAGOIQFR-RUMNANIHSA-N -1 0 311.338 -0.604 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)N[C@@H]1CCCn3ncnc31)C2 ZINC001552402711 1015857985 /nfs/dbraw/zinc/85/79/85/1015857985.db2.gz LBGNLNFQNTZTGY-RBZYPMLTSA-N -1 0 321.337 -0.144 20 0 DBADRM CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001385209030 994408786 /nfs/dbraw/zinc/40/87/86/994408786.db2.gz SZUZLWGDPINPQR-HLTSFMKQSA-N -1 0 321.337 -0.055 20 0 DBADRM CCC(=O)N1CCC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001385327056 994455683 /nfs/dbraw/zinc/45/56/83/994455683.db2.gz ZJWOKJIGPCNWKP-UHFFFAOYSA-N -1 0 323.353 -0.267 20 0 DBADRM COCCOCC(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001493182815 1015863561 /nfs/dbraw/zinc/86/35/61/1015863561.db2.gz JNJGZZATTKHKTJ-JTQLQIEISA-N -1 0 313.358 -0.889 20 0 DBADRM CCn1nncc1CNC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552654284 1015866208 /nfs/dbraw/zinc/86/62/08/1015866208.db2.gz DCWYTUKGLQGDSW-RNCFNFMXSA-N -1 0 309.326 -0.459 20 0 DBADRM CCn1ccc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001401401411 994561030 /nfs/dbraw/zinc/56/10/30/994561030.db2.gz UICXYMQTJZJEPS-UHFFFAOYSA-N -1 0 307.358 -0.069 20 0 DBADRM CN(CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)Cc1cccnc1 ZINC001401432042 994568220 /nfs/dbraw/zinc/56/82/20/994568220.db2.gz SHWDYQRCJNSJGB-UHFFFAOYSA-N -1 0 320.353 -0.325 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ncccn1 ZINC001401447949 994572217 /nfs/dbraw/zinc/57/22/17/994572217.db2.gz VSFZFWCTPMXXIQ-UHFFFAOYSA-N -1 0 319.325 -0.723 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNCc2cscn2)c1[O-] ZINC001401499852 994600903 /nfs/dbraw/zinc/60/09/03/994600903.db2.gz ADLNPWLHCDMEQC-VIFPVBQESA-N -1 0 311.367 -0.239 20 0 DBADRM CCOC1CC(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1 ZINC001596805465 1017170009 /nfs/dbraw/zinc/17/00/09/1017170009.db2.gz ZSZIXQARSJMDJL-YVNMAJEFSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001385756418 994623027 /nfs/dbraw/zinc/62/30/27/994623027.db2.gz PSCHOOIRAZFNPZ-CNUIFLNQSA-N -1 0 321.337 -0.437 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)CCn2cncn2)c1[O-] ZINC001386168386 994780635 /nfs/dbraw/zinc/78/06/35/994780635.db2.gz DEXCSYHXBMKHNN-QMMMGPOBSA-N -1 0 321.341 -0.660 20 0 DBADRM Cc1cc(C)n(CC(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001401754246 994797598 /nfs/dbraw/zinc/79/75/98/994797598.db2.gz CBFOSNCZNCZTNI-SNVBAGLBSA-N -1 0 321.385 -0.040 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1c[nH]c(=O)n1C ZINC001401785611 994811810 /nfs/dbraw/zinc/81/18/10/994811810.db2.gz WNLTVVJMGDRKHR-SSDOTTSWSA-N -1 0 309.330 -0.800 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2cnn(C)n2)c1[O-] ZINC001386232511 994815453 /nfs/dbraw/zinc/81/54/53/994815453.db2.gz ZINDEKPFXQJACG-ZCFIWIBFSA-N -1 0 307.314 -0.899 20 0 DBADRM CCn1cc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001401806579 994817546 /nfs/dbraw/zinc/81/75/46/994817546.db2.gz NZCBSRKNSGEIPI-QMMMGPOBSA-N -1 0 308.346 -0.628 20 0 DBADRM CCC(=O)N[C@H]1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001386242725 994821029 /nfs/dbraw/zinc/82/10/29/994821029.db2.gz UNIYFBSVVJPMNN-DTORHVGOSA-N -1 0 311.342 -0.357 20 0 DBADRM C[C@H](CNC(=O)[C@H]1COC(=O)N1)NC(=O)c1ncccc1O ZINC001386245501 994822449 /nfs/dbraw/zinc/82/24/49/994822449.db2.gz MSJPBTXDJCOSAO-HTQZYQBOSA-N -1 0 308.294 -0.870 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2ncn(C)n2)c1[O-] ZINC001386250919 994828005 /nfs/dbraw/zinc/82/80/05/994828005.db2.gz MJUMTDWPSYYEPS-ZCFIWIBFSA-N -1 0 307.314 -0.899 20 0 DBADRM C[C@]1(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)CCNC(=O)C1 ZINC001401888673 994841893 /nfs/dbraw/zinc/84/18/93/994841893.db2.gz BELKBGXNLNCYGF-XPTSAGLGSA-N -1 0 322.369 -0.883 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001493354238 1015896413 /nfs/dbraw/zinc/89/64/13/1015896413.db2.gz HPOPRIRCTNAWSX-VHSXEESVSA-N -1 0 323.353 -0.600 20 0 DBADRM CCn1cc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC001401971688 994872593 /nfs/dbraw/zinc/87/25/93/994872593.db2.gz HFPUFZWZSZANMV-UHFFFAOYSA-N -1 0 306.330 -0.826 20 0 DBADRM C[C@@H](CNC(=O)CC1(C)CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001386391554 994885045 /nfs/dbraw/zinc/88/50/45/994885045.db2.gz WWVHIKVWGVBMEE-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C2CC2)[C@H]2CCN(C)C2=O)c1[O-] ZINC001493361418 1015899247 /nfs/dbraw/zinc/89/92/47/1015899247.db2.gz KQECOBCQPBQEFE-NSHDSACASA-N -1 0 321.381 -0.151 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402125085 994936004 /nfs/dbraw/zinc/93/60/04/994936004.db2.gz SIXPIQPXMJPLGO-OQPBUACISA-N -1 0 310.358 -0.885 20 0 DBADRM CC(C)CC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001386561267 994964547 /nfs/dbraw/zinc/96/45/47/994964547.db2.gz AYNBFJWIBQWXBB-SECBINFHSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2ccnn2C)c1[O-] ZINC001386716400 995045772 /nfs/dbraw/zinc/04/57/72/995045772.db2.gz JEEZSTSAECEPOV-SSDOTTSWSA-N -1 0 306.326 -0.294 20 0 DBADRM COCCO[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001556225194 1015913463 /nfs/dbraw/zinc/91/34/63/1015913463.db2.gz AJAPYLJQNAYGFJ-JTQLQIEISA-N -1 0 306.322 -0.100 20 0 DBADRM Cc1cc(C)c(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001402320678 995076194 /nfs/dbraw/zinc/07/61/94/995076194.db2.gz QXWBZGUHJBPTQI-UHFFFAOYSA-N -1 0 321.337 -0.303 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001556244445 1015915161 /nfs/dbraw/zinc/91/51/61/1015915161.db2.gz GCBIYVNBPHOBBD-UWVGGRQHSA-N -1 0 304.343 -0.044 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001386797396 995095919 /nfs/dbraw/zinc/09/59/19/995095919.db2.gz JOFKZQYGYAJSJB-DTWKUNHWSA-N -1 0 321.337 -0.708 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001402353117 995100971 /nfs/dbraw/zinc/10/09/71/995100971.db2.gz GBWHUXQQLJZSKB-VHSXEESVSA-N -1 0 309.370 -0.391 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)Cc2cnn(C)c2)c1[O-] ZINC001386849230 995129263 /nfs/dbraw/zinc/12/92/63/995129263.db2.gz DQZPOEPCOFRBDO-UHFFFAOYSA-N -1 0 320.353 -0.412 20 0 DBADRM CS[C@@H](C)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001402511296 995170488 /nfs/dbraw/zinc/17/04/88/995170488.db2.gz ZRNDGUMVLZISPI-IUCAKERBSA-N -1 0 315.399 -0.421 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@H]2CC(=O)N(C)C2)c1[O-] ZINC001386941585 995184813 /nfs/dbraw/zinc/18/48/13/995184813.db2.gz PDXPXUZYEVTGND-VIFPVBQESA-N -1 0 323.353 -0.910 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@@H]2CC(=O)N(C)C2)c1[O-] ZINC001386941577 995185368 /nfs/dbraw/zinc/18/53/68/995185368.db2.gz PDXPXUZYEVTGND-SECBINFHSA-N -1 0 323.353 -0.910 20 0 DBADRM CN(CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C(=O)C1(C)CC1 ZINC001386988035 995204006 /nfs/dbraw/zinc/20/40/06/995204006.db2.gz USCUXUVUOOVNMQ-UHFFFAOYSA-N -1 0 323.353 -0.410 20 0 DBADRM CC(C)[C@H](F)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387035435 995225140 /nfs/dbraw/zinc/22/51/40/995225140.db2.gz KKIAOAOFFKDFQD-BQBZGAKWSA-N -1 0 315.305 -0.489 20 0 DBADRM CN(CCCN(C)C(=O)[C@]12C[C@H]1COC2)Cc1n[nH]c(=O)[n-]1 ZINC001402627423 995225234 /nfs/dbraw/zinc/22/52/34/995225234.db2.gz CJUVNFXYNLXIGT-HZMBPMFUSA-N -1 0 309.370 -0.173 20 0 DBADRM C[C@H](CNC(=O)C1CC2(CC2)C1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387117270 995260657 /nfs/dbraw/zinc/26/06/57/995260657.db2.gz LLAFITNBXFRIGI-SSDOTTSWSA-N -1 0 321.337 -0.293 20 0 DBADRM CC(C)(F)C(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001402730687 995261518 /nfs/dbraw/zinc/26/15/18/995261518.db2.gz SOBRPDITYTWHRR-ZDUSSCGKSA-N -1 0 315.349 -0.299 20 0 DBADRM C[C@@H](CNC(=O)C1CC2(CC2)C1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387119555 995263250 /nfs/dbraw/zinc/26/32/50/995263250.db2.gz SOZBHPRUILSZLC-QMMMGPOBSA-N -1 0 323.353 -0.500 20 0 DBADRM CN(CCNC(=O)[C@@H]1CC12CC2)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387137150 995266884 /nfs/dbraw/zinc/26/68/84/995266884.db2.gz XHTUVVPWZCBBCW-ZETCQYMHSA-N -1 0 307.310 -0.729 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]O[C@H](CO)C(C)C ZINC001556736708 1015931613 /nfs/dbraw/zinc/93/16/13/1015931613.db2.gz LRPKIHJDNASLNQ-NWDGAFQWSA-N -1 0 315.370 -0.822 20 0 DBADRM O=C(N[C@@H]1Cc2cncn2C1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001556699740 1015931635 /nfs/dbraw/zinc/93/16/35/1015931635.db2.gz ZNRBLVGHSDZDPQ-MRVPVSSYSA-N -1 0 312.289 -0.013 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C(C)(C)F ZINC001387265120 995308129 /nfs/dbraw/zinc/30/81/29/995308129.db2.gz UXNDZYFFKKHRJD-UHFFFAOYSA-N -1 0 315.305 -0.391 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)c1ccoc1 ZINC001387262547 995308574 /nfs/dbraw/zinc/30/85/74/995308574.db2.gz LOXDXSXSXZFNLB-UHFFFAOYSA-N -1 0 323.309 -0.439 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387372556 995335687 /nfs/dbraw/zinc/33/56/87/995335687.db2.gz CQMXYJJCBSLLJC-OPRDCNLKSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@H](CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387556982 995380025 /nfs/dbraw/zinc/38/00/25/995380025.db2.gz KCBNDAGXTQPNEN-BWZBUEFSSA-N -1 0 309.326 -0.437 20 0 DBADRM CCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCN(C(C)=O)C1 ZINC001387575035 995382324 /nfs/dbraw/zinc/38/23/24/995382324.db2.gz NVPSSIVJEHUDJS-VIFPVBQESA-N -1 0 309.326 -0.244 20 0 DBADRM CN(CCNC(=O)C(C)(C)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387598422 995388695 /nfs/dbraw/zinc/38/86/95/995388695.db2.gz YGFVDLRKSHKOEX-UHFFFAOYSA-N -1 0 301.278 -0.781 20 0 DBADRM CN(CCNC(=O)CC(F)(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387667251 995413902 /nfs/dbraw/zinc/41/39/02/995413902.db2.gz SVNQFSAXCJDJKO-UHFFFAOYSA-N -1 0 323.231 -0.577 20 0 DBADRM C[C@@H](CNC(=O)c1cccc(=O)[nH]1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403118757 995414055 /nfs/dbraw/zinc/41/40/55/995414055.db2.gz PQDWDZVVLSHMCX-QMMMGPOBSA-N -1 0 306.326 -0.139 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001387680666 995419764 /nfs/dbraw/zinc/41/97/64/995419764.db2.gz DHGDTRVHBNKXLH-MRVPVSSYSA-N -1 0 311.342 -0.863 20 0 DBADRM C[C@@H](CNC(=O)[C@]1(C)CCNC(=O)C1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403133531 995420804 /nfs/dbraw/zinc/42/08/04/995420804.db2.gz FEJRVAKQAVKYAJ-LKFCYVNXSA-N -1 0 324.385 -0.637 20 0 DBADRM Cc1c[nH]nc1C(=O)N(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001387681184 995421102 /nfs/dbraw/zinc/42/11/02/995421102.db2.gz JHYWNAFIJCEXGK-UHFFFAOYSA-N -1 0 306.326 -0.043 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2ccn(C)n2)c1[O-] ZINC001387681984 995421279 /nfs/dbraw/zinc/42/12/79/995421279.db2.gz SREWUONQVPRWAG-UHFFFAOYSA-N -1 0 306.326 -0.341 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)CCc2nnc[nH]2)c1[O-] ZINC001387681087 995421315 /nfs/dbraw/zinc/42/13/15/995421315.db2.gz IBHJSYSXGZHAMO-UHFFFAOYSA-N -1 0 321.341 -0.637 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1cnn(C)c1 ZINC001403154817 995428160 /nfs/dbraw/zinc/42/81/60/995428160.db2.gz JBLTURSSTKIFRT-MRVPVSSYSA-N -1 0 321.341 -0.733 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)COCC(F)F)C2)c1[O-] ZINC001387772460 995477489 /nfs/dbraw/zinc/47/74/89/995477489.db2.gz VLAYGLZUNGJTNR-UHFFFAOYSA-N -1 0 318.280 -0.354 20 0 DBADRM Cc1ncc(CC(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001403299108 995479871 /nfs/dbraw/zinc/47/98/71/995479871.db2.gz HBOODFIHMRJLCS-MRVPVSSYSA-N -1 0 320.353 -0.014 20 0 DBADRM CC(C)CCC(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001387842382 995504517 /nfs/dbraw/zinc/50/45/17/995504517.db2.gz WPEMVUASMDRWII-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CCC1 ZINC001388131749 995614027 /nfs/dbraw/zinc/61/40/27/995614027.db2.gz KJPGFBGHHMSSJO-MRVPVSSYSA-N -1 0 309.326 -0.293 20 0 DBADRM CC[C@@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)NC(C)=O ZINC001388152967 995619499 /nfs/dbraw/zinc/61/94/99/995619499.db2.gz ONLOAWFINDMMHZ-VIFPVBQESA-N -1 0 306.326 -0.898 20 0 DBADRM CC[C@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)NC(C)=O ZINC001388152966 995620083 /nfs/dbraw/zinc/62/00/83/995620083.db2.gz ONLOAWFINDMMHZ-SECBINFHSA-N -1 0 306.326 -0.898 20 0 DBADRM CC(=O)NC1(CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)CCCC1 ZINC001388197359 995632456 /nfs/dbraw/zinc/63/24/56/995632456.db2.gz NWVNDMKEMKMNGI-UHFFFAOYSA-N -1 0 323.353 -0.220 20 0 DBADRM Cc1ccc(F)c(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001403715712 995668592 /nfs/dbraw/zinc/66/85/92/995668592.db2.gz ORFCSMCXOUVIKF-SECBINFHSA-N -1 0 323.328 -0.162 20 0 DBADRM Cn1cc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)n(C)c1=O ZINC001557721943 1015960175 /nfs/dbraw/zinc/96/01/75/1015960175.db2.gz DSEIUNNQGCNEOR-NSHDSACASA-N -1 0 313.321 -0.244 20 0 DBADRM Cc1cccc(CO[N-]C(=O)C2=NN(CCO)C(=O)CC2)n1 ZINC001557718622 1015960779 /nfs/dbraw/zinc/96/07/79/1015960779.db2.gz GEGIELQGLPZOPD-UHFFFAOYSA-N -1 0 306.322 -0.091 20 0 DBADRM Cc1nc(CN(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001403748153 995688471 /nfs/dbraw/zinc/68/84/71/995688471.db2.gz IPXIEMFMLCSTCQ-UHFFFAOYSA-N -1 0 310.314 -0.766 20 0 DBADRM CC(C)C(=O)NC[C@H]1CCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001388478402 995699983 /nfs/dbraw/zinc/69/99/83/995699983.db2.gz DXAIQVHZQGLYMN-SNVBAGLBSA-N -1 0 322.365 -0.137 20 0 DBADRM CCCN(CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)=O ZINC001388592387 995714074 /nfs/dbraw/zinc/71/40/74/995714074.db2.gz VMTNOKSHQYWWPV-UHFFFAOYSA-N -1 0 320.353 -0.554 20 0 DBADRM CCN(CCNC(=O)CCc1c[nH]cn1)Cc1n[nH]c(=O)[n-]1 ZINC001403855768 995735106 /nfs/dbraw/zinc/73/51/06/995735106.db2.gz IDJYUVMJRQLUBQ-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM Cn1cc(-c2n[nH]cc2C(=O)N2CC[C@H](c3nnn[n-]3)C2)cn1 ZINC001558078914 1015970100 /nfs/dbraw/zinc/97/01/00/1015970100.db2.gz NKDQEEVROJDHRF-QMMMGPOBSA-N -1 0 313.325 -0.047 20 0 DBADRM CC(C)C(=O)NC[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)C ZINC001388867734 995773534 /nfs/dbraw/zinc/77/35/34/995773534.db2.gz IKASBIQOYRDOEY-QMMMGPOBSA-N -1 0 311.342 -0.191 20 0 DBADRM COCCN(CCNC(=O)c1coc(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001403954813 995784793 /nfs/dbraw/zinc/78/47/93/995784793.db2.gz JYKZNGMXCJVWBO-UHFFFAOYSA-N -1 0 324.341 -0.315 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1=CCCC1 ZINC001388990923 995796359 /nfs/dbraw/zinc/79/63/59/995796359.db2.gz KIRYXWNAQKPRMW-UHFFFAOYSA-N -1 0 321.337 -0.077 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@]1(F)CCOC1 ZINC001404077026 995814965 /nfs/dbraw/zinc/81/49/65/995814965.db2.gz WOHZPZBMDLQTKS-TVQRCGJNSA-N -1 0 313.333 -0.423 20 0 DBADRM CCCN(CCNC(=O)C1=COCCO1)Cc1n[nH]c(=O)[n-]1 ZINC001404118426 995821555 /nfs/dbraw/zinc/82/15/55/995821555.db2.gz YLRNOJILHJDQAJ-UHFFFAOYSA-N -1 0 311.342 -0.273 20 0 DBADRM CCCC(=O)NC[C@@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001389213362 995897576 /nfs/dbraw/zinc/89/75/76/995897576.db2.gz HTBWAJXOSZZLLD-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM C[C@H](CNC(=O)[C@H](C)C1CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001389238035 995906277 /nfs/dbraw/zinc/90/62/77/995906277.db2.gz AUGBODWFGKEZHY-HTQZYQBOSA-N -1 0 323.353 -0.047 20 0 DBADRM CC(C)[C@@H](C)CC(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389326606 995938835 /nfs/dbraw/zinc/93/88/35/995938835.db2.gz OTDXCFMMKHZRQO-QMMMGPOBSA-N -1 0 323.353 -0.094 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001389404818 995968620 /nfs/dbraw/zinc/96/86/20/995968620.db2.gz CGERABNWOWHTOG-LLVKDONJSA-N -1 0 322.413 -0.210 20 0 DBADRM CC[C@@H](C)[C@@H](C)C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389404184 995969411 /nfs/dbraw/zinc/96/94/11/995969411.db2.gz WZTCUWGDIRIHCO-HTQZYQBOSA-N -1 0 323.353 -0.094 20 0 DBADRM CC[C@@H](F)C(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001389425372 995977866 /nfs/dbraw/zinc/97/78/66/995977866.db2.gz JXZTWFPWNCPLHZ-SNVBAGLBSA-N -1 0 314.365 -0.508 20 0 DBADRM O=C(COCC(F)F)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001389477100 996004029 /nfs/dbraw/zinc/00/40/29/996004029.db2.gz DFOTULWVZHQLEQ-SSDOTTSWSA-N -1 0 305.285 -0.518 20 0 DBADRM Cc1cnn(CCC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001389508874 996017129 /nfs/dbraw/zinc/01/71/29/996017129.db2.gz OXVGWRCXEIKUNJ-LLVKDONJSA-N -1 0 319.369 -0.204 20 0 DBADRM CC[C@H](C)C(=O)NC[C@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001389603532 996040823 /nfs/dbraw/zinc/04/08/23/996040823.db2.gz HSPIRQCDVYFDCR-VHSXEESVSA-N -1 0 322.365 -0.137 20 0 DBADRM CC[C@H](C)C(=O)NC[C@@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001389603493 996040905 /nfs/dbraw/zinc/04/09/05/996040905.db2.gz HSPIRQCDVYFDCR-UWVGGRQHSA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001389640522 996054159 /nfs/dbraw/zinc/05/41/59/996054159.db2.gz XHYKCZBAMUCHPW-IONNQARKSA-N -1 0 321.337 -0.340 20 0 DBADRM CC1(CC(=O)N2CC[C@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001389715297 996077533 /nfs/dbraw/zinc/07/75/33/996077533.db2.gz HABFZOPKVSRZRV-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM CCCC(=O)N1CC[C@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001389730640 996081622 /nfs/dbraw/zinc/08/16/22/996081622.db2.gz WOTQPPGTLIYDSC-VIFPVBQESA-N -1 0 323.353 -0.267 20 0 DBADRM CC(=O)N(C)CC(=O)NCC1(NC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001389788289 996099258 /nfs/dbraw/zinc/09/92/58/996099258.db2.gz ZBJDVPLYTQBZIM-UHFFFAOYSA-N -1 0 323.353 -0.719 20 0 DBADRM CCC(=O)NC1(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001389932692 996143737 /nfs/dbraw/zinc/14/37/37/996143737.db2.gz PZRDTWJQHBKKAW-UHFFFAOYSA-N -1 0 318.337 -0.754 20 0 DBADRM CC(C)OCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001389937604 996144307 /nfs/dbraw/zinc/14/43/07/996144307.db2.gz WKFQJMURBGJHQD-PHIMTYICSA-N -1 0 311.386 -0.340 20 0 DBADRM CN(C(=O)CCCF)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001390116964 996188216 /nfs/dbraw/zinc/18/82/16/996188216.db2.gz CBUIATBSWRSCDG-UHFFFAOYSA-N -1 0 315.305 -0.892 20 0 DBADRM O=C(Cc1nc[nH]n1)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001390142001 996192912 /nfs/dbraw/zinc/19/29/12/996192912.db2.gz OVDLHHZXEWMJRX-SECBINFHSA-N -1 0 320.357 -0.658 20 0 DBADRM CC[C@H](CNC(=O)C1CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001390166008 996195796 /nfs/dbraw/zinc/19/57/96/996195796.db2.gz SZTFLVQJAPNZFO-SECBINFHSA-N -1 0 311.342 -0.500 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@@H](CC)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001390242495 996209817 /nfs/dbraw/zinc/20/98/17/996209817.db2.gz VNMWRPQLFGRFRV-HTQZYQBOSA-N -1 0 311.342 -0.047 20 0 DBADRM CCc1cnc(CNCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001493614630 1016013597 /nfs/dbraw/zinc/01/35/97/1016013597.db2.gz GHOQWZJMYLVCEN-UHFFFAOYSA-N -1 0 322.325 -0.305 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnn(C)c1C ZINC001596886339 1017175171 /nfs/dbraw/zinc/17/51/71/1017175171.db2.gz BTGKMWMJEWTWGV-VIFPVBQESA-N -1 0 305.356 -0.161 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](NC(=O)C1CC1)C1CC1 ZINC001493631429 1016018217 /nfs/dbraw/zinc/01/82/17/1016018217.db2.gz DOACOHUJGQZYRX-SECBINFHSA-N -1 0 309.326 -0.890 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](NC(=O)C1CC1)C1CC1 ZINC001493631433 1016018846 /nfs/dbraw/zinc/01/88/46/1016018846.db2.gz DOACOHUJGQZYRX-VIFPVBQESA-N -1 0 309.326 -0.890 20 0 DBADRM Cc1cnc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)s1 ZINC001390782849 996372347 /nfs/dbraw/zinc/37/23/47/996372347.db2.gz WDJVLRPXTATDED-UHFFFAOYSA-N -1 0 324.366 -0.090 20 0 DBADRM C[C@H](Oc1cccnc1)C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001390816018 996383228 /nfs/dbraw/zinc/38/32/28/996383228.db2.gz YARGAZFAMMBFFW-JTQLQIEISA-N -1 0 320.353 -0.079 20 0 DBADRM CN(CCNC(=O)c1ncn(C(C)(C)C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001390820701 996383841 /nfs/dbraw/zinc/38/38/41/996383841.db2.gz WDCSHRPGHSJSFV-UHFFFAOYSA-N -1 0 322.373 -0.281 20 0 DBADRM CC[C@H](C(N)=O)N(C)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001390838263 996390157 /nfs/dbraw/zinc/39/01/57/996390157.db2.gz NURJHPAEUFFPHT-SECBINFHSA-N -1 0 321.337 -0.146 20 0 DBADRM Cc1nccnc1CN(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001390850036 996394066 /nfs/dbraw/zinc/39/40/66/996394066.db2.gz LRJBCQMSLTXZOB-UHFFFAOYSA-N -1 0 321.341 -0.964 20 0 DBADRM C[C@](CNC(=O)C1CC1)(NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001390849847 996394794 /nfs/dbraw/zinc/39/47/94/996394794.db2.gz XEIZPMYTZJLXBO-CQSZACIVSA-N -1 0 323.353 -0.500 20 0 DBADRM CCN(CCNC(=O)c1ncc(OC)cn1)Cc1n[nH]c(=O)[n-]1 ZINC001390931816 996411043 /nfs/dbraw/zinc/41/10/43/996411043.db2.gz DCIBNBMVGGJGPX-UHFFFAOYSA-N -1 0 321.341 -0.439 20 0 DBADRM CCO[C@H](C)C(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[nH]1 ZINC001391031974 996424129 /nfs/dbraw/zinc/42/41/29/996424129.db2.gz UQOQXQFNDIEYCG-MNOVXSKESA-N -1 0 311.386 -0.386 20 0 DBADRM Cn1ccc(CC(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001391053332 996431693 /nfs/dbraw/zinc/43/16/93/996431693.db2.gz XYTUKCQQIWFZOX-LLVKDONJSA-N -1 0 319.369 -0.433 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)/C=C/CN1CCOCC1 ZINC001596872149 1017175470 /nfs/dbraw/zinc/17/54/70/1017175470.db2.gz DPEHXMSTXKAZKP-ITKZLYELSA-N -1 0 300.355 -0.177 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCCn2cccn2)C1 ZINC001593765411 996440998 /nfs/dbraw/zinc/44/09/98/996440998.db2.gz QZCLMEHMCAGSJC-CQSZACIVSA-N -1 0 308.338 -0.287 20 0 DBADRM C[C@@](O)(CC(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001391086379 996444164 /nfs/dbraw/zinc/44/41/64/996444164.db2.gz QBLWVZRSLZEIKS-ZUZCIYMTSA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(Cc1ncc[nH]1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001391181536 996480038 /nfs/dbraw/zinc/48/00/38/996480038.db2.gz YCGLJNVOOCIJSQ-UHFFFAOYSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC001391208029 996488955 /nfs/dbraw/zinc/48/89/55/996488955.db2.gz ZGEJBBGDSZWHNU-IONNQARKSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC001391226763 996495987 /nfs/dbraw/zinc/49/59/87/996495987.db2.gz ZGEJBBGDSZWHNU-APPZFPTMSA-N -1 0 323.353 -0.816 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391385638 996528574 /nfs/dbraw/zinc/52/85/74/996528574.db2.gz KQZKIERPKCTTPR-SNVBAGLBSA-N -1 0 324.385 -0.494 20 0 DBADRM O=C(CCc1cncnc1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391561628 996576904 /nfs/dbraw/zinc/57/69/04/996576904.db2.gz IDPBXBZGTFWMLF-NSHDSACASA-N -1 0 317.353 -0.376 20 0 DBADRM O=C(CCc1cnccn1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391563086 996577496 /nfs/dbraw/zinc/57/74/96/996577496.db2.gz ZSZPNHOWTNYHTE-NSHDSACASA-N -1 0 317.353 -0.376 20 0 DBADRM CN(C(=O)COCC1CC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391608627 996588226 /nfs/dbraw/zinc/58/82/26/996588226.db2.gz TXYWSEVHBWXSMS-NSHDSACASA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(Cn1cccn1)NC[C@@H]1CCC[C@@H]1NC(=O)c1cn[nH]n1 ZINC001391953354 996662815 /nfs/dbraw/zinc/66/28/15/996662815.db2.gz QGYAYYXIOFWIDN-QWRGUYRKSA-N -1 0 317.353 -0.284 20 0 DBADRM O=C(Cn1cccn1)NC[C@@H]1CCC[C@H]1NC(=O)c1cn[nH]n1 ZINC001391953359 996662982 /nfs/dbraw/zinc/66/29/82/996662982.db2.gz QGYAYYXIOFWIDN-WDEREUQCSA-N -1 0 317.353 -0.284 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)C(C)(C)F)c1[O-] ZINC001391966697 996666378 /nfs/dbraw/zinc/66/63/78/996666378.db2.gz LNEDFGOEHGSRHF-SSDOTTSWSA-N -1 0 302.306 -0.621 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1 ZINC001596872512 1017176269 /nfs/dbraw/zinc/17/62/69/1017176269.db2.gz MEUPMPLWBSEJFW-GWOFURMSSA-N -1 0 317.338 -0.099 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2cn(C)cn2)c1[O-] ZINC001392280528 996775495 /nfs/dbraw/zinc/77/54/95/996775495.db2.gz KSGHJTHZMVFMIY-SSDOTTSWSA-N -1 0 306.326 -0.294 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCCOCC1 ZINC001596884762 1017176516 /nfs/dbraw/zinc/17/65/16/1017176516.db2.gz QKAYCTHHXBQSDS-SNVBAGLBSA-N -1 0 310.372 -0.625 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CC12CC2)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001404524459 996807006 /nfs/dbraw/zinc/80/70/06/996807006.db2.gz YOVPEIKTEXLNBZ-SFYZADRCSA-N -1 0 321.337 -0.340 20 0 DBADRM CCCC(=O)N(C)CCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001404532566 996810199 /nfs/dbraw/zinc/81/01/99/996810199.db2.gz MQXRTOZRCXUKNF-UHFFFAOYSA-N -1 0 310.402 -0.114 20 0 DBADRM CC(C)(O)CC(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001404778420 996863707 /nfs/dbraw/zinc/86/37/07/996863707.db2.gz YRJHTXIZSZXWRQ-UHFFFAOYSA-N -1 0 319.365 -0.516 20 0 DBADRM CCCNC(=O)CCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404828833 996878284 /nfs/dbraw/zinc/87/82/84/996878284.db2.gz DEAXIZFYEIRLQK-UHFFFAOYSA-N -1 0 310.358 -0.883 20 0 DBADRM CC1(C)CN(C(=O)Cn2cc(C(=O)[O-])cn2)CCN1CCO ZINC001593929587 996891211 /nfs/dbraw/zinc/89/12/11/996891211.db2.gz XLVUVORFIBVDJD-UHFFFAOYSA-N -1 0 310.354 -0.504 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCN1 ZINC001593945078 996986774 /nfs/dbraw/zinc/98/67/74/996986774.db2.gz PETPFASNXXIPSP-UHFFFAOYSA-N -1 0 305.400 -0.288 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@]12C[C@H]1CCC2 ZINC001392528933 997002628 /nfs/dbraw/zinc/00/26/28/997002628.db2.gz FIVHOHYPEUDKOH-RFXMVYNHSA-N -1 0 323.353 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC001405111186 997007640 /nfs/dbraw/zinc/00/76/40/997007640.db2.gz LDOXRDRMXJTECB-APPZFPTMSA-N -1 0 323.353 -0.721 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC001405111233 997008919 /nfs/dbraw/zinc/00/89/19/997008919.db2.gz LDOXRDRMXJTECB-CBAPKCEASA-N -1 0 323.353 -0.721 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001405147042 997028007 /nfs/dbraw/zinc/02/80/07/997028007.db2.gz ZAPRFCAWKQJQFT-SNVBAGLBSA-N -1 0 310.358 -0.979 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)C(C)(C)F)c1[O-] ZINC001405194226 997054219 /nfs/dbraw/zinc/05/42/19/997054219.db2.gz SUCWQOFYTMHQBO-SSDOTTSWSA-N -1 0 302.306 -0.621 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)Cc2cnnn2C)c1[O-] ZINC001392636318 997103331 /nfs/dbraw/zinc/10/33/31/997103331.db2.gz ACIKCEBNCCWDGA-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM CC1(C)NC(=O)N(CCCNC(=O)c2cc(C(=O)[O-])no2)C1=O ZINC001593967476 997113156 /nfs/dbraw/zinc/11/31/56/997113156.db2.gz JEJQJAAUMXWMFO-UHFFFAOYSA-N -1 0 324.293 -0.177 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1c[nH]cn1 ZINC001392655732 997118791 /nfs/dbraw/zinc/11/87/91/997118791.db2.gz AAVGOFYGTVCRKL-VIFPVBQESA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001392686282 997143624 /nfs/dbraw/zinc/14/36/24/997143624.db2.gz NKBRLXYPEMAKGC-BBBLOLIVSA-N -1 0 324.385 -0.652 20 0 DBADRM CC1(C)OC[C@H](CCN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])O1 ZINC001593973775 997152485 /nfs/dbraw/zinc/15/24/85/997152485.db2.gz IQCFGKQMFNAMEA-VHSXEESVSA-N -1 0 307.368 -0.288 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001392701479 997156088 /nfs/dbraw/zinc/15/60/88/997156088.db2.gz KFXDQSJRFYIMKG-DTWKUNHWSA-N -1 0 310.358 -0.885 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1cnn(C)c1 ZINC001392733094 997176401 /nfs/dbraw/zinc/17/64/01/997176401.db2.gz WUMYHFFMKDFTDL-SNVBAGLBSA-N -1 0 321.385 -0.187 20 0 DBADRM COC[C@@]1(C)CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CCO1 ZINC001599194165 997183749 /nfs/dbraw/zinc/18/37/49/997183749.db2.gz BSDAKJVPOAELBG-GXTWGEPZSA-N -1 0 302.371 -0.051 20 0 DBADRM COC[C@@]1(C)CN(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])CCO1 ZINC001599194768 997194684 /nfs/dbraw/zinc/19/46/84/997194684.db2.gz JWAXDRDZJSKNTM-COPLHBTASA-N -1 0 316.354 -0.077 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001493976249 1016105362 /nfs/dbraw/zinc/10/53/62/1016105362.db2.gz UVRRVRJNJSEYEL-OPRDCNLKSA-N -1 0 322.365 -0.091 20 0 DBADRM CCc1c[nH]c(CC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001392836355 997252600 /nfs/dbraw/zinc/25/26/00/997252600.db2.gz LOPUFOZGQSGZFH-JTQLQIEISA-N -1 0 319.369 -0.271 20 0 DBADRM Cn1ccnc1CCC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001392844449 997262465 /nfs/dbraw/zinc/26/24/65/997262465.db2.gz DRFYXKNMRCAAMY-SNVBAGLBSA-N -1 0 319.369 -0.433 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001392879581 997294456 /nfs/dbraw/zinc/29/44/56/997294456.db2.gz CONQORQBDNJXJY-KOLCDFICSA-N -1 0 319.369 -0.262 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NCc3cn(C)nn3)CC2)c1[O-] ZINC001392895103 997306308 /nfs/dbraw/zinc/30/63/08/997306308.db2.gz VFGOJBVDEPMBFL-UHFFFAOYSA-N -1 0 305.342 -0.396 20 0 DBADRM CC(=O)NC[C@H]1CC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001405530076 997309310 /nfs/dbraw/zinc/30/93/10/997309310.db2.gz AOTQLEPOSDTBHW-UWVGGRQHSA-N -1 0 323.353 -0.364 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNC(=O)C2CCC2)c1[O-] ZINC001405603947 997344114 /nfs/dbraw/zinc/34/41/14/997344114.db2.gz NWDNOSUJTGPCHE-SNVBAGLBSA-N -1 0 310.354 -0.227 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(C)C1CC1 ZINC001393009821 997362562 /nfs/dbraw/zinc/36/25/62/997362562.db2.gz VDHBSKLRMYEDMJ-ZETCQYMHSA-N -1 0 323.353 -0.047 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)C(C)C ZINC001406008798 997485925 /nfs/dbraw/zinc/48/59/25/997485925.db2.gz QBWHCBCOZJRQNQ-WDEREUQCSA-N -1 0 313.402 -0.236 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C(C)C)on1 ZINC001406005807 997486334 /nfs/dbraw/zinc/48/63/34/997486334.db2.gz LSLGLUNWQQCNNR-SNVBAGLBSA-N -1 0 322.369 -0.051 20 0 DBADRM CN(CCN(C)C(=O)C[C@@](C)(O)C1CC1)Cc1n[nH]c(=O)[n-]1 ZINC001406096428 997520083 /nfs/dbraw/zinc/52/00/83/997520083.db2.gz INZOZWGMZJXIRB-CQSZACIVSA-N -1 0 311.386 -0.048 20 0 DBADRM CN(CCN(C)C(=O)C[C@@H]1CCC(=O)NC1)Cc1n[nH]c(=O)[n-]1 ZINC001406105518 997522263 /nfs/dbraw/zinc/52/22/63/997522263.db2.gz PVQLCNYRJYBMDD-JTQLQIEISA-N -1 0 324.385 -0.683 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNCc2nccs2)c1[O-] ZINC001406210785 997574102 /nfs/dbraw/zinc/57/41/02/997574102.db2.gz JXNJKQCZLVRFJA-MRVPVSSYSA-N -1 0 311.367 -0.239 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNCc2nccs2)c1[O-] ZINC001406210797 997574900 /nfs/dbraw/zinc/57/49/00/997574900.db2.gz JXNJKQCZLVRFJA-QMMMGPOBSA-N -1 0 311.367 -0.239 20 0 DBADRM CC(C)[C@H](F)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393334198 997594461 /nfs/dbraw/zinc/59/44/61/997594461.db2.gz VZQRHBWIGYZOQT-VIFPVBQESA-N -1 0 301.322 -0.833 20 0 DBADRM CCOCCN(CC)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001596924136 1017179158 /nfs/dbraw/zinc/17/91/58/1017179158.db2.gz KWVWFTULYHEJEB-UHFFFAOYSA-N -1 0 312.326 -0.058 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC001406369560 997719896 /nfs/dbraw/zinc/71/98/96/997719896.db2.gz RSMFYFDUAKXTDA-SFGNSQDASA-N -1 0 310.354 -0.229 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1CC(=O)N(C)C1)Cc1n[nH]c(=O)[n-]1 ZINC001393622302 997772933 /nfs/dbraw/zinc/77/29/33/997772933.db2.gz JKCLQDQPJRLDDJ-SNVBAGLBSA-N -1 0 324.385 -0.731 20 0 DBADRM CCc1nnsc1C(=O)NCC1(NC(=O)c2cn[nH]n2)CC1 ZINC001393722123 997817686 /nfs/dbraw/zinc/81/76/86/997817686.db2.gz MLHQAPVEZJJEOD-UHFFFAOYSA-N -1 0 321.366 -0.089 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CNCc2nncn2C)C2CC2)c1[O-] ZINC001406772449 997874249 /nfs/dbraw/zinc/87/42/49/997874249.db2.gz YQMNFCWOCSXAJI-JTQLQIEISA-N -1 0 319.369 -0.150 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NCc2nnn(C)n2)c1[O-] ZINC001393938084 997895177 /nfs/dbraw/zinc/89/51/77/997895177.db2.gz VGSKNMBZBUSEEI-NKWVEPMBSA-N -1 0 308.346 -0.756 20 0 DBADRM CCOCCO[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001596931794 1017180163 /nfs/dbraw/zinc/18/01/63/1017180163.db2.gz FTRDEOAEHPNOPV-GUBZILKMSA-N -1 0 304.343 -0.478 20 0 DBADRM CCOC[C@H](C)NC(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001596945594 1017180266 /nfs/dbraw/zinc/18/02/66/1017180266.db2.gz LBBDGJWSLDNHAJ-ZANVPECISA-N -1 0 302.327 -0.770 20 0 DBADRM Cc1ncncc1C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001394046398 997941978 /nfs/dbraw/zinc/94/19/78/997941978.db2.gz LYHOSQITSLFXFC-QMMMGPOBSA-N -1 0 305.342 -0.141 20 0 DBADRM CCOCCOCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001596935030 1017180327 /nfs/dbraw/zinc/18/03/27/1017180327.db2.gz GYTXYGYSYRYOKS-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM CCN1C[C@H](C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001394064331 997954640 /nfs/dbraw/zinc/95/46/40/997954640.db2.gz BCDMSQTUXQIJMW-VHSXEESVSA-N -1 0 324.385 -0.685 20 0 DBADRM CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001406985353 997965240 /nfs/dbraw/zinc/96/52/40/997965240.db2.gz YLDDMEXMTWFWEY-MXWKQRLJSA-N -1 0 323.353 -0.263 20 0 DBADRM Cc1cc(CNC2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)on1 ZINC001406994715 997971088 /nfs/dbraw/zinc/97/10/88/997971088.db2.gz PATLGKQLZKJGAW-UHFFFAOYSA-N -1 0 322.325 -0.576 20 0 DBADRM COCCN(CCO)S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001599237620 997972875 /nfs/dbraw/zinc/97/28/75/997972875.db2.gz BJHSZDZFQNRHHD-UHFFFAOYSA-N -1 0 318.351 -0.282 20 0 DBADRM COCCN(CCO)C(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001599237628 997973280 /nfs/dbraw/zinc/97/32/80/997973280.db2.gz BNQIIFQMSZTRFX-UHFFFAOYSA-N -1 0 324.333 -0.281 20 0 DBADRM Cc1cnn(C)c1C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001394100757 997980218 /nfs/dbraw/zinc/98/02/18/997980218.db2.gz MPVUNPOQAGQVDB-VIFPVBQESA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@@H](CNC(=O)Cc1cncn1C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001394121784 997990839 /nfs/dbraw/zinc/99/08/39/997990839.db2.gz HGVODKFIPOMISI-VIFPVBQESA-N -1 0 307.358 -0.577 20 0 DBADRM COCCN(CCNC(=O)C(F)F)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001599238593 997992524 /nfs/dbraw/zinc/99/25/24/997992524.db2.gz OQKCLERUPAOTHF-SFYZADRCSA-N -1 0 308.281 -0.437 20 0 DBADRM COCCN1C[C@@H](C(=O)Nc2c(C(=O)[O-])c(C)nn2C)CC1=O ZINC001599239380 998008364 /nfs/dbraw/zinc/00/83/64/998008364.db2.gz AOLPGMUHMFRXIT-VIFPVBQESA-N -1 0 324.337 -0.140 20 0 DBADRM Cc1nccn1CC(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001394257719 998065908 /nfs/dbraw/zinc/06/59/08/998065908.db2.gz ZALVIVMVFWXWKE-VIFPVBQESA-N -1 0 319.369 -0.348 20 0 DBADRM CC(=O)NC[C@@]1(C)CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001394433121 998140995 /nfs/dbraw/zinc/14/09/95/998140995.db2.gz BTAXNMHLWHUGMT-CQSZACIVSA-N -1 0 323.353 -0.410 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ncccn1 ZINC001394557071 998192321 /nfs/dbraw/zinc/19/23/21/998192321.db2.gz QAMWTKDEMZOSQK-VIFPVBQESA-N -1 0 321.341 -0.884 20 0 DBADRM CCOCCOCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001596938033 1017181709 /nfs/dbraw/zinc/18/17/09/1017181709.db2.gz NMOKZGITQYLIAT-LLVKDONJSA-N -1 0 304.343 -0.075 20 0 DBADRM CCC1(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)CCC1 ZINC001407493328 998234975 /nfs/dbraw/zinc/23/49/75/998234975.db2.gz QBMZCIAINZMBKK-UHFFFAOYSA-N -1 0 309.370 -0.247 20 0 DBADRM Cc1cnccc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001394583122 998238420 /nfs/dbraw/zinc/23/84/20/998238420.db2.gz HALSRQXHZQEMAV-VIFPVBQESA-N -1 0 306.326 -0.906 20 0 DBADRM CCOCCOC[C@H](O)CNC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001596934094 1017181748 /nfs/dbraw/zinc/18/17/48/1017181748.db2.gz HCIJQXSVZFLNSC-VXGBXAGGSA-N -1 0 316.354 -0.127 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@@H](C)/C=C\C(=O)[O-] ZINC001596945358 1017181766 /nfs/dbraw/zinc/18/17/66/1017181766.db2.gz ZCPHUTCJCVLLPS-WBSSQXGSSA-N -1 0 308.356 -0.912 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001494237740 1016200221 /nfs/dbraw/zinc/20/02/21/1016200221.db2.gz GZFFDKKLYXCBLR-AOOOYVTPSA-N -1 0 322.369 -0.656 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@H](C)/C=C/C(=O)[O-] ZINC001596945360 1017181803 /nfs/dbraw/zinc/18/18/03/1017181803.db2.gz ZCPHUTCJCVLLPS-XNPJLODASA-N -1 0 308.356 -0.912 20 0 DBADRM COC[C@](C)(CC(=O)OC)NS(=O)(=O)CCCC(=O)[O-] ZINC001599151087 998299530 /nfs/dbraw/zinc/29/95/30/998299530.db2.gz PAITYJIPUFLLEL-NSHDSACASA-N -1 0 311.356 -0.261 20 0 DBADRM Cc1ccc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)c(F)c1 ZINC001394635119 998321169 /nfs/dbraw/zinc/32/11/69/998321169.db2.gz SPLQKVPVIWWEHY-SECBINFHSA-N -1 0 323.328 -0.162 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1CC2CCC1CC2 ZINC001394657285 998361406 /nfs/dbraw/zinc/36/14/06/998361406.db2.gz NCBARGFOOFODKQ-MMVSWEMESA-N -1 0 323.397 -0.097 20 0 DBADRM CCC(=O)NC[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001407927332 998427690 /nfs/dbraw/zinc/42/76/90/998427690.db2.gz OTFVNJDQLWVHRT-SNVBAGLBSA-N -1 0 322.365 -0.136 20 0 DBADRM CN(CCCN(C)C(=O)Cc1ncc[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001407937576 998431050 /nfs/dbraw/zinc/43/10/50/998431050.db2.gz XRHXSPPUAPLRIG-UHFFFAOYSA-N -1 0 307.358 -0.244 20 0 DBADRM CCN1CC2(C1)CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)O2 ZINC001407998204 998449890 /nfs/dbraw/zinc/44/98/90/998449890.db2.gz XTGHDUUBQIEPFK-VIFPVBQESA-N -1 0 311.342 -0.941 20 0 DBADRM Cc1ccc(C(=O)N(C)C[C@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)o1 ZINC001394770567 998477397 /nfs/dbraw/zinc/47/73/97/998477397.db2.gz QSBNQIMGTYYULQ-SNVBAGLBSA-N -1 0 323.353 -0.023 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CC1(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001408133712 998514621 /nfs/dbraw/zinc/51/46/21/998514621.db2.gz MIXQHWIUAMSSOF-WHFBIAKZSA-N -1 0 317.252 -0.828 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CCCC1 ZINC001408259382 998575371 /nfs/dbraw/zinc/57/53/71/998575371.db2.gz LTJUZGNCAHPMBP-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@@H](CNC(=O)C1(C)CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001408273096 998583423 /nfs/dbraw/zinc/58/34/23/998583423.db2.gz GTXLMCLDLYTDLB-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM CCC(=O)N(C)[C@@H](C)CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001395124828 998612580 /nfs/dbraw/zinc/61/25/80/998612580.db2.gz UGIBJKVQYLWNOR-QMMMGPOBSA-N -1 0 311.342 -0.412 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)c1ccco1 ZINC001395134028 998616253 /nfs/dbraw/zinc/61/62/53/998616253.db2.gz PXIBAWDEFOBEMF-MRVPVSSYSA-N -1 0 323.309 -0.441 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C1CC(C)C1 ZINC001395146713 998618802 /nfs/dbraw/zinc/61/88/02/998618802.db2.gz WNXVNNAEEHFQNB-MGURRDGZSA-N -1 0 323.353 -0.094 20 0 DBADRM CCCC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001408399388 998622016 /nfs/dbraw/zinc/62/20/16/998622016.db2.gz KRCZJNLIGHOXGF-MRVPVSSYSA-N -1 0 309.326 -0.339 20 0 DBADRM CCC(=O)NCC[C@@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001408435318 998625635 /nfs/dbraw/zinc/62/56/35/998625635.db2.gz WZWGDACRTQSNIK-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(C)F ZINC001408486411 998639852 /nfs/dbraw/zinc/63/98/52/998639852.db2.gz XEYKBLIWTCAPBG-ZCFIWIBFSA-N -1 0 315.305 -0.345 20 0 DBADRM CC[C@H](C)C(=O)N[C@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001408486060 998639957 /nfs/dbraw/zinc/63/99/57/998639957.db2.gz JQJKWWYBGQIUQR-JGVFFNPUSA-N -1 0 311.342 -0.047 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)c2cn(C)nn2)c1[O-] ZINC001395577376 998689628 /nfs/dbraw/zinc/68/96/28/998689628.db2.gz MKBLYXKCHGZIFS-ZETCQYMHSA-N -1 0 321.341 -0.557 20 0 DBADRM O=C(N[C@H](CO)CNC(=O)C1CCCCCC1)c1cn[nH]n1 ZINC001395693575 998718312 /nfs/dbraw/zinc/71/83/12/998718312.db2.gz CNVFOCYWOPBPJA-NSHDSACASA-N -1 0 309.370 -0.018 20 0 DBADRM O=C(N[C@@H](CO)CNC(=O)C1CCCCCC1)c1cn[nH]n1 ZINC001395693570 998718421 /nfs/dbraw/zinc/71/84/21/998718421.db2.gz CNVFOCYWOPBPJA-LLVKDONJSA-N -1 0 309.370 -0.018 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)C2(CF)CC2)c1[O-] ZINC001395718531 998738293 /nfs/dbraw/zinc/73/82/93/998738293.db2.gz CIWIREFNSKGMII-QMMMGPOBSA-N -1 0 314.317 -0.620 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNC(=O)c2ccoc2)c1[O-] ZINC001396004903 998816919 /nfs/dbraw/zinc/81/69/19/998816919.db2.gz YNYFQZUFBONQEE-SNVBAGLBSA-N -1 0 322.321 -0.120 20 0 DBADRM CC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001396030399 998821824 /nfs/dbraw/zinc/82/18/24/998821824.db2.gz AXIHLCZPZBZCBJ-MRVPVSSYSA-N -1 0 308.294 -0.503 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)CCCF)C1 ZINC001396930574 998927813 /nfs/dbraw/zinc/92/78/13/998927813.db2.gz INTZULRNIQKRCQ-MRVPVSSYSA-N -1 0 315.305 -0.844 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)COCC1CC1 ZINC001396987833 998937170 /nfs/dbraw/zinc/93/71/70/998937170.db2.gz DNNZHMYLQJUIHJ-LLVKDONJSA-N -1 0 309.370 -0.030 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001397272043 999005833 /nfs/dbraw/zinc/00/58/33/999005833.db2.gz KDPDTNCVOCSFIQ-MIMYLULJSA-N -1 0 324.385 -0.496 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001596980391 1017183969 /nfs/dbraw/zinc/18/39/69/1017183969.db2.gz AYLMZXWOSIDWGH-CHWFTXMASA-N -1 0 302.327 -0.326 20 0 DBADRM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001397309006 999010890 /nfs/dbraw/zinc/01/08/90/999010890.db2.gz YNOWJONNTAEWLM-VIFPVBQESA-N -1 0 323.353 -0.093 20 0 DBADRM CC[C@H](C)CC(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397518312 999070188 /nfs/dbraw/zinc/07/01/88/999070188.db2.gz OIOWDELIORJEQA-DTWKUNHWSA-N -1 0 313.358 -0.254 20 0 DBADRM CC[C@H](C)CC(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397521458 999070545 /nfs/dbraw/zinc/07/05/45/999070545.db2.gz NCRKQOTYINWFME-YUMQZZPRSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1(C2CC2)CC1 ZINC001397525417 999071437 /nfs/dbraw/zinc/07/14/37/999071437.db2.gz QZJISVHBRIEEHX-SSDOTTSWSA-N -1 0 321.337 -0.293 20 0 DBADRM COc1nn(C)cc1C(=O)NC[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001397526401 999072131 /nfs/dbraw/zinc/07/21/31/999072131.db2.gz SIZNASSHOJSIGY-SSDOTTSWSA-N -1 0 307.314 -0.905 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001397524369 999072148 /nfs/dbraw/zinc/07/21/48/999072148.db2.gz QJTWVGPDIXASNI-GUBZILKMSA-N -1 0 317.349 -0.087 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC(F)(F)F ZINC001397529635 999072792 /nfs/dbraw/zinc/07/27/92/999072792.db2.gz ZERYNDFPSNEULO-SCSAIBSYSA-N -1 0 323.231 -0.530 20 0 DBADRM CN(C[C@@H]1CCN1C/C=C\Cl)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397558374 999080550 /nfs/dbraw/zinc/08/05/50/999080550.db2.gz BENUTJMPRKFVCF-MDHMXLOGSA-N -1 0 315.761 -0.026 20 0 DBADRM CCn1cc(C(=O)NC[C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])nn1 ZINC001397580857 999086412 /nfs/dbraw/zinc/08/64/12/999086412.db2.gz BJVNMSGYJLFUDX-SSDOTTSWSA-N -1 0 321.341 -0.417 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397828190 999141597 /nfs/dbraw/zinc/14/15/97/999141597.db2.gz BOVLXBRWOOFCGM-HTQZYQBOSA-N -1 0 317.321 -0.552 20 0 DBADRM CN(CCNC(=O)C1CC(C)(C)C1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397908636 999168425 /nfs/dbraw/zinc/16/84/25/999168425.db2.gz XBNSCVGRDUOMHR-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM CN(CCNC(=O)[C@@H]1CC12CCC2)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397916584 999170777 /nfs/dbraw/zinc/17/07/77/999170777.db2.gz ULEJKTNHPFHDOU-QMMMGPOBSA-N -1 0 321.337 -0.339 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCC1(C)C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001398002079 999193457 /nfs/dbraw/zinc/19/34/57/999193457.db2.gz NDBCGGOPSCOUFV-QMMMGPOBSA-N -1 0 323.353 -0.093 20 0 DBADRM CCN(CCNC(=O)C1CC1)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001398042929 999203601 /nfs/dbraw/zinc/20/36/01/999203601.db2.gz CSQDYURPLDAZIE-UHFFFAOYSA-N -1 0 323.353 -0.410 20 0 DBADRM COC[C@H](OC)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001398222359 999224994 /nfs/dbraw/zinc/22/49/94/999224994.db2.gz AHJQJXPSLYPYJL-UWVGGRQHSA-N -1 0 313.358 -0.748 20 0 DBADRM CCC(=O)N1CC[C@H](CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001398462877 999277811 /nfs/dbraw/zinc/27/78/11/999277811.db2.gz IHEGIFMNNHGMRH-SECBINFHSA-N -1 0 311.342 -0.594 20 0 DBADRM CCC(=O)N1CC[C@@H](CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001398462889 999278085 /nfs/dbraw/zinc/27/80/85/999278085.db2.gz IHEGIFMNNHGMRH-VIFPVBQESA-N -1 0 311.342 -0.594 20 0 DBADRM C[C@@H](C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC001494526074 1016305308 /nfs/dbraw/zinc/30/53/08/1016305308.db2.gz MZQMZZQKJZROGA-VIFPVBQESA-N -1 0 305.342 -0.484 20 0 DBADRM CCOCC(=O)N1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001398650318 999326931 /nfs/dbraw/zinc/32/69/31/999326931.db2.gz IHLNZLXBBXTFJX-UHFFFAOYSA-N -1 0 320.305 -0.095 20 0 DBADRM CC[C@@H](CNC(=O)C(C)(F)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001398888505 999371504 /nfs/dbraw/zinc/37/15/04/999371504.db2.gz SDOXEWCFBSLHEH-LURJTMIESA-N -1 0 321.284 -0.645 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(C)C ZINC001399022633 999396538 /nfs/dbraw/zinc/39/65/38/999396538.db2.gz IBCFWHKWIFBEJQ-ZETCQYMHSA-N -1 0 311.342 -0.047 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)c2cnn(C)c2)c1[O-] ZINC001399329199 999412400 /nfs/dbraw/zinc/41/24/00/999412400.db2.gz PKSSHYQCRSRDOW-QMMMGPOBSA-N -1 0 320.353 -0.047 20 0 DBADRM CC(C)CC(=O)NC[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001399324726 999412422 /nfs/dbraw/zinc/41/24/22/999412422.db2.gz WWSXONKPMKUMGJ-QMMMGPOBSA-N -1 0 311.342 -0.189 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)[C@H]2CCOC2)c1[O-] ZINC001399358110 999418092 /nfs/dbraw/zinc/41/80/92/999418092.db2.gz TZAUFJUSKHRALQ-SCZZXKLOSA-N -1 0 310.354 -0.058 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)[C@H]2CCOC2)c1[O-] ZINC001399358114 999418218 /nfs/dbraw/zinc/41/82/18/999418218.db2.gz TZAUFJUSKHRALQ-WPRPVWTQSA-N -1 0 310.354 -0.058 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)CC(=O)NCC(C)C)c1[O-] ZINC001399460049 999433968 /nfs/dbraw/zinc/43/39/68/999433968.db2.gz WTQIFBABDLASBZ-UHFFFAOYSA-N -1 0 311.386 -0.142 20 0 DBADRM CN(CCNC(=O)Cn1cc(C2CC2)cn1)Cc1n[nH]c(=O)[n-]1 ZINC001399511454 999440360 /nfs/dbraw/zinc/44/03/60/999440360.db2.gz CHGSUJISCLDZDA-UHFFFAOYSA-N -1 0 319.369 -0.168 20 0 DBADRM CC(=O)N1CCC(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001399649324 999457755 /nfs/dbraw/zinc/45/77/55/999457755.db2.gz WKYXMAWUDAXFDS-UHFFFAOYSA-N -1 0 324.385 -0.683 20 0 DBADRM CC[C@H](F)C(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001399718612 999469261 /nfs/dbraw/zinc/46/92/61/999469261.db2.gz CULPHFLWIQOQFX-ZETCQYMHSA-N -1 0 315.305 -0.439 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)c2ccccc2)c1[O-] ZINC001399775816 999479979 /nfs/dbraw/zinc/47/99/79/999479979.db2.gz UKBBCPGRJDIFGG-NSHDSACASA-N -1 0 318.333 -0.056 20 0 DBADRM CCCN(CCNC(=O)c1nnn(C)c1C)Cc1n[nH]c(=O)[n-]1 ZINC001399946933 999531262 /nfs/dbraw/zinc/53/12/62/999531262.db2.gz AJMRFVQZUWOROT-UHFFFAOYSA-N -1 0 322.373 -0.411 20 0 DBADRM CCCN(CCNC(=O)Cc1nc[nH]n1)Cc1n[nH]c(=O)[n-]1 ZINC001399976648 999536894 /nfs/dbraw/zinc/53/68/94/999536894.db2.gz NTGLPVNIDNVEHV-UHFFFAOYSA-N -1 0 308.346 -0.801 20 0 DBADRM Cc1cn(C)nc1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001400010351 999543670 /nfs/dbraw/zinc/54/36/70/999543670.db2.gz STHSINNKOVJLGQ-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM CC(C)C(=O)NC[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001400065107 999557021 /nfs/dbraw/zinc/55/70/21/999557021.db2.gz VTCMTZCFEYQBNA-SECBINFHSA-N -1 0 320.353 -0.652 20 0 DBADRM CC[C@H](F)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001400065137 999557571 /nfs/dbraw/zinc/55/75/71/999557571.db2.gz WEBKTBHVYCAVNB-RITPCOANSA-N -1 0 301.278 -0.735 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001400090754 999562114 /nfs/dbraw/zinc/56/21/14/999562114.db2.gz ABIPVCLHKUWIMI-LPEHRKFASA-N -1 0 322.369 -0.803 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001400090736 999562420 /nfs/dbraw/zinc/56/24/20/999562420.db2.gz ABIPVCLHKUWIMI-BBBLOLIVSA-N -1 0 322.369 -0.803 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(F)F ZINC001400123013 999566518 /nfs/dbraw/zinc/56/65/18/999566518.db2.gz YBXYLRRNYWKBJE-BYPYZUCNSA-N -1 0 305.241 -0.828 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)Cc2cncn2C)c1[O-] ZINC001400165061 999574601 /nfs/dbraw/zinc/57/46/01/999574601.db2.gz GWCBWHITAZOQRM-QMMMGPOBSA-N -1 0 320.353 -0.366 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001400264522 999595929 /nfs/dbraw/zinc/59/59/29/999595929.db2.gz XPSTTXJXGLVYHM-RBXMUDONSA-N -1 0 321.337 -0.437 20 0 DBADRM CCS(=O)(=O)CCN1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001597209559 1017189193 /nfs/dbraw/zinc/18/91/93/1017189193.db2.gz KXBJXFZNOVCYSQ-DTWKUNHWSA-N -1 0 318.351 -0.452 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC001597208534 1017189555 /nfs/dbraw/zinc/18/95/55/1017189555.db2.gz XMIZKCYZXCRZRG-JTQLQIEISA-N -1 0 307.368 -0.193 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001597224114 1017191308 /nfs/dbraw/zinc/19/13/08/1017191308.db2.gz KXMGYIIQRQUHCH-BBBLOLIVSA-N -1 0 322.383 -0.547 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001597224226 1017191568 /nfs/dbraw/zinc/19/15/68/1017191568.db2.gz OMHKUBAAGFYWBO-BXKDBHETSA-N -1 0 322.383 -0.546 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597221043 1017190926 /nfs/dbraw/zinc/19/09/26/1017190926.db2.gz FYLLGCNGFKFGKS-HBNTYKKESA-N -1 0 318.395 -0.115 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001597224312 1017190969 /nfs/dbraw/zinc/19/09/69/1017190969.db2.gz RGZTWKZXLNIQCO-HWUMTFDVSA-N -1 0 318.395 -0.070 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001597223848 1017191135 /nfs/dbraw/zinc/19/11/35/1017191135.db2.gz AZAYMFFHEIWUSP-MRVPVSSYSA-N -1 0 315.351 -0.025 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)N[C@H](CCOC)C(=O)[O-] ZINC001597245333 1017193550 /nfs/dbraw/zinc/19/35/50/1017193550.db2.gz FYIXKUGHTDTTPX-MRVPVSSYSA-N -1 0 316.401 -0.182 20 0 DBADRM CCS(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001597225656 1017193737 /nfs/dbraw/zinc/19/37/37/1017193737.db2.gz VMPBHOYSKCZCDP-UWVGGRQHSA-N -1 0 322.383 -0.736 20 0 DBADRM CCS(=O)(=O)c1cccc(CC(=O)N[C@H](CO)C(=O)[O-])c1 ZINC001597243011 1017193958 /nfs/dbraw/zinc/19/39/58/1017193958.db2.gz KTNPHVSLZCAXOS-LLVKDONJSA-N -1 0 315.347 -0.416 20 0 DBADRM CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](CO)C(=O)[O-])c1 ZINC001597236763 1017193999 /nfs/dbraw/zinc/19/39/99/1017193999.db2.gz JQWMQKALNCWRKO-SNVBAGLBSA-N -1 0 319.310 -0.205 20 0 DBADRM CC[S@@](=O)CCNC(=O)COCc1ocnc1C(=O)[O-] ZINC001597249429 1017194193 /nfs/dbraw/zinc/19/41/93/1017194193.db2.gz KAWCHRZQPPTHGJ-HXUWFJFHSA-N -1 0 304.324 -0.226 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)c1ccc(C(=O)[O-])n1C ZINC001597225949 1017194233 /nfs/dbraw/zinc/19/42/33/1017194233.db2.gz ZRPLRAUUKLJVCB-UHFFFAOYSA-N -1 0 304.324 -0.181 20 0 DBADRM CN(CC(=O)N1CCCC1)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001591038333 1016374432 /nfs/dbraw/zinc/37/44/32/1016374432.db2.gz MTRFQPCVWRWCQI-UHFFFAOYSA-N -1 0 317.353 -0.460 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001591035811 1016377188 /nfs/dbraw/zinc/37/71/88/1016377188.db2.gz IWZGFIYMDSACQE-KOLCDFICSA-N -1 0 322.383 -0.738 20 0 DBADRM Cc1cnn(CC(=O)N[C@@H](C)CNC(=O)c2[nH]nc(C)c2[O-])c1 ZINC001494682855 1016377196 /nfs/dbraw/zinc/37/71/96/1016377196.db2.gz YDDRFLLOJUSRSW-VIFPVBQESA-N -1 0 320.353 -0.137 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)C[C@H]2COC(=O)C2)c1[O-] ZINC001494682931 1016377450 /nfs/dbraw/zinc/37/74/50/1016377450.db2.gz ZEPLLPDFKVXYJQ-VXNVDRBHSA-N -1 0 324.337 -0.389 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001591108923 1016390267 /nfs/dbraw/zinc/39/02/67/1016390267.db2.gz OKOOEBNAWHZYRR-MNOVXSKESA-N -1 0 300.355 -0.167 20 0 DBADRM CN(Cn1cccc(-c2nnn[n-]2)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC001591154482 1016397719 /nfs/dbraw/zinc/39/77/19/1016397719.db2.gz SRNGRKIFKMBPTB-VIFPVBQESA-N -1 0 324.366 -0.895 20 0 DBADRM CC(C)C[C@@H](C(N)=O)C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001591124447 1016392641 /nfs/dbraw/zinc/39/26/41/1016392641.db2.gz RSLPZGQEPVZQAO-UWVGGRQHSA-N -1 0 314.338 -0.247 20 0 DBADRM CC(C)C[C@H](C(N)=O)C(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001591124402 1016392669 /nfs/dbraw/zinc/39/26/69/1016392669.db2.gz PPYHIBNWJANZGC-GMTAPVOTSA-N -1 0 300.355 -0.013 20 0 DBADRM CN(CCn1cccn1)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591123557 1016392885 /nfs/dbraw/zinc/39/28/85/1016392885.db2.gz KMQXZVANMOMVEL-UHFFFAOYSA-N -1 0 323.338 -0.023 20 0 DBADRM CC(C)C[C@H](C(N)=O)C(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001591124401 1016393672 /nfs/dbraw/zinc/39/36/72/1016393672.db2.gz PPYHIBNWJANZGC-AXFHLTTASA-N -1 0 300.355 -0.013 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NC(C)(C)CC(=O)[O-] ZINC001591109235 1016393757 /nfs/dbraw/zinc/39/37/57/1016393757.db2.gz YXVUSHFDNHNTGZ-VIFPVBQESA-N -1 0 315.370 -0.238 20 0 DBADRM CC1CC(C(=O)NCCN(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001408547013 1000216369 /nfs/dbraw/zinc/21/63/69/1000216369.db2.gz GJXHTFPDVFAMQN-UHFFFAOYSA-N -1 0 322.365 -0.280 20 0 DBADRM CN(c1cccnn1)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC001591157095 1016395495 /nfs/dbraw/zinc/39/54/95/1016395495.db2.gz CHHIUGDEGWZEKR-UHFFFAOYSA-N -1 0 318.322 -0.123 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC001591153923 1016396742 /nfs/dbraw/zinc/39/67/42/1016396742.db2.gz ILEIUUVIOPOHCS-UHFFFAOYSA-N -1 0 307.295 -0.123 20 0 DBADRM CN(c1cnc(-c2nn[nH]n2)cn1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001591160213 1016396995 /nfs/dbraw/zinc/39/69/95/1016396995.db2.gz QYCKYSDZGLFJTL-QMMMGPOBSA-N -1 0 324.370 -0.873 20 0 DBADRM CN(CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C(=O)CC1CC1 ZINC001408620917 1000249733 /nfs/dbraw/zinc/24/97/33/1000249733.db2.gz MCNVONLYOACMQT-UHFFFAOYSA-N -1 0 323.353 -0.410 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)CC(C)(C)C ZINC001408639375 1000256245 /nfs/dbraw/zinc/25/62/45/1000256245.db2.gz GDDCSKMEQDMUOA-UHFFFAOYSA-N -1 0 311.342 -0.093 20 0 DBADRM CN(Cc1ccccc1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591147791 1016398241 /nfs/dbraw/zinc/39/82/41/1016398241.db2.gz HJOBQWUBVXISPA-UHFFFAOYSA-N -1 0 313.321 -0.110 20 0 DBADRM O=C(CCc1cnccn1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001420867560 1000273997 /nfs/dbraw/zinc/27/39/97/1000273997.db2.gz FBQFRKPFVOTEDK-LLVKDONJSA-N -1 0 317.353 -0.376 20 0 DBADRM O=C(Cn1cncn1)NCC[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001420879690 1000276856 /nfs/dbraw/zinc/27/68/56/1000276856.db2.gz AXVPSUGESJFDOL-SNVBAGLBSA-N -1 0 320.357 -0.870 20 0 DBADRM CCN(CCNC(=O)C(C)(C)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001408707242 1000277614 /nfs/dbraw/zinc/27/76/14/1000277614.db2.gz ADINDOHMZGICNB-UHFFFAOYSA-N -1 0 315.305 -0.391 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001591163546 1016400835 /nfs/dbraw/zinc/40/08/35/1016400835.db2.gz MOEOBTMMRZIMKJ-JTQLQIEISA-N -1 0 302.294 -0.103 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)CC1CC1 ZINC001408773682 1000294029 /nfs/dbraw/zinc/29/40/29/1000294029.db2.gz PDHZMSHUQBSRJE-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM Cn1ccnc1CNC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001420960248 1000313169 /nfs/dbraw/zinc/31/31/69/1000313169.db2.gz SKWZQNZIGBZCNH-UHFFFAOYSA-N -1 0 319.325 -0.932 20 0 DBADRM O=C(NC[C@H]1CS(=O)(=O)c2ccccc21)c1n[nH]c(=O)[n-]1 ZINC001420964679 1000315579 /nfs/dbraw/zinc/31/55/79/1000315579.db2.gz URRJVZGYJKRVIP-ZETCQYMHSA-N -1 0 308.319 -0.189 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@@H](C(=O)N(C)Cc2n[n-]c(=O)o2)C1 ZINC001420970572 1000317087 /nfs/dbraw/zinc/31/70/87/1000317087.db2.gz DYGOBUSWTSJFIR-SNVBAGLBSA-N -1 0 320.309 -0.031 20 0 DBADRM CCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCN(C(C)=O)C1 ZINC001408973496 1000323754 /nfs/dbraw/zinc/32/37/54/1000323754.db2.gz RUPTWQKPBDTGHW-JTQLQIEISA-N -1 0 311.342 -0.451 20 0 DBADRM CC(=O)N[C@@H](C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1)C(C)C ZINC001420995580 1000326159 /nfs/dbraw/zinc/32/61/59/1000326159.db2.gz QOPZRRBTHRVFDJ-LLVKDONJSA-N -1 0 324.385 -0.591 20 0 DBADRM O=C(NCCN1Cc2ccccc2OCC1=O)c1n[nH]c(=O)[n-]1 ZINC001421015639 1000331759 /nfs/dbraw/zinc/33/17/59/1000331759.db2.gz RUWMCDAFVSCWQM-UHFFFAOYSA-N -1 0 317.305 -0.339 20 0 DBADRM CCC[C@@H](C)C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001409038840 1000337124 /nfs/dbraw/zinc/33/71/24/1000337124.db2.gz JQDPQEFKTZCWKT-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM O=C(CCc1nccs1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421105437 1000366799 /nfs/dbraw/zinc/36/67/99/1000366799.db2.gz BEEAFBFFXGLEFQ-UHFFFAOYSA-N -1 0 308.367 -0.100 20 0 DBADRM O=C(COC[C@H]1CCCO1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421116398 1000371420 /nfs/dbraw/zinc/37/14/20/1000371420.db2.gz OCIROGVVKFVHPW-SNVBAGLBSA-N -1 0 311.342 -0.994 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)CC3(O)CCC3)C2)c1[O-] ZINC001409139381 1000379447 /nfs/dbraw/zinc/37/94/47/1000379447.db2.gz IHHQKQBJOUXRHA-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(Cc2cccnc2)C1 ZINC001421177583 1000396527 /nfs/dbraw/zinc/39/65/27/1000396527.db2.gz DQRPJAAMEBNAIF-UHFFFAOYSA-N -1 0 318.337 -0.668 20 0 DBADRM CC(C)C[C@H](NC(=O)Cn1cc(S(C)(=O)=O)cn1)C(=O)[O-] ZINC001591177146 1016410301 /nfs/dbraw/zinc/41/03/01/1016410301.db2.gz BYIFEPAGLSLKOJ-JTQLQIEISA-N -1 0 317.367 -0.098 20 0 DBADRM Cc1nnc(CC(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001421196852 1000403465 /nfs/dbraw/zinc/40/34/65/1000403465.db2.gz XJFPMSUFMHKRPY-ZDUSSCGKSA-N -1 0 321.341 -0.475 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccco1 ZINC001421335736 1000447245 /nfs/dbraw/zinc/44/72/45/1000447245.db2.gz ZLAKUTOAOFLEBC-CYBMUJFWSA-N -1 0 307.310 -0.530 20 0 DBADRM Cc1cc(CN(C)[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)on1 ZINC001409599547 1000482705 /nfs/dbraw/zinc/48/27/05/1000482705.db2.gz LZRHOYNMKJTJIV-MRVPVSSYSA-N -1 0 322.325 -0.170 20 0 DBADRM CCn1cnc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)c1 ZINC001409654643 1000498901 /nfs/dbraw/zinc/49/89/01/1000498901.db2.gz UYRMDOKZVGCPRU-VIFPVBQESA-N -1 0 307.358 -0.023 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421487084 1000528496 /nfs/dbraw/zinc/52/84/96/1000528496.db2.gz NHUPTGSDIKKSCR-NXEZZACHSA-N -1 0 309.370 -0.391 20 0 DBADRM CC1(C)CC[C@H](C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001421488650 1000530055 /nfs/dbraw/zinc/53/00/55/1000530055.db2.gz SOVUARYGKVVQAE-JTQLQIEISA-N -1 0 323.397 -0.001 20 0 DBADRM CCC(=O)NC[C@@H](CC(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001409785058 1000533573 /nfs/dbraw/zinc/53/35/73/1000533573.db2.gz NVNZZNOJLBUQBV-MRVPVSSYSA-N -1 0 311.342 -0.047 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)C2CC(C)C2)c1[O-] ZINC001410089330 1000610314 /nfs/dbraw/zinc/61/03/14/1000610314.db2.gz CIGBCDRWBWQHQU-YXGXMSFMSA-N -1 0 310.354 -0.323 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001591199546 1016422110 /nfs/dbraw/zinc/42/21/10/1016422110.db2.gz OSVMQIJBIYVHFT-YFKPBYRVSA-N -1 0 316.368 -0.659 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001410151437 1000650747 /nfs/dbraw/zinc/65/07/47/1000650747.db2.gz NCGKAHRYUBKBGX-SVRRBLITSA-N -1 0 311.342 -0.817 20 0 DBADRM CNC(=O)CNC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O ZINC001591208579 1016431390 /nfs/dbraw/zinc/43/13/90/1016431390.db2.gz CEMDOWBAJQVYHX-UHFFFAOYSA-N -1 0 323.338 -0.835 20 0 DBADRM CNC(=O)CCCN(C)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001591207238 1016427495 /nfs/dbraw/zinc/42/74/95/1016427495.db2.gz XAXMKWKJASSXHQ-UHFFFAOYSA-N -1 0 305.342 -0.556 20 0 DBADRM CC(C)CCC(=O)NCC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001591212566 1016434376 /nfs/dbraw/zinc/43/43/76/1016434376.db2.gz ZSNSJNLKTCTJNH-GWCFXTLKSA-N -1 0 300.355 -0.025 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)COCC(F)F)c1[O-] ZINC001410252859 1000697643 /nfs/dbraw/zinc/69/76/43/1000697643.db2.gz AZWSIZHSURIOES-ZCFIWIBFSA-N -1 0 320.296 -0.060 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CC12CCC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001410250504 1000697788 /nfs/dbraw/zinc/69/77/88/1000697788.db2.gz LIHAQTMDAHAAFD-SFYZADRCSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC12CCC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001410267754 1000702707 /nfs/dbraw/zinc/70/27/07/1000702707.db2.gz SVISYOHUVLSRQA-RKDXNWHRSA-N -1 0 323.353 -0.500 20 0 DBADRM CCCC(=O)N[C@@H](C)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001410300572 1000715121 /nfs/dbraw/zinc/71/51/21/1000715121.db2.gz GGVLAJMCJVAAJQ-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1CCCC1 ZINC001410305729 1000715746 /nfs/dbraw/zinc/71/57/46/1000715746.db2.gz QCOJAJUCCJYWGU-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)CCn2cccn2)c1[O-] ZINC001410402304 1000755211 /nfs/dbraw/zinc/75/52/11/1000755211.db2.gz WIBWYLMBTBFJBZ-VIFPVBQESA-N -1 0 320.353 -0.055 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001591212926 1016433887 /nfs/dbraw/zinc/43/38/87/1016433887.db2.gz SGRBGVJJMOHKEB-LURJTMIESA-N -1 0 305.298 -0.860 20 0 DBADRM CNC(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001591210675 1016433981 /nfs/dbraw/zinc/43/39/81/1016433981.db2.gz YWMGXAKJAMMPEE-VIFPVBQESA-N -1 0 317.357 -0.055 20 0 DBADRM CCC1(C(=O)N[C@@H](C)CNC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001410463352 1000777478 /nfs/dbraw/zinc/77/74/78/1000777478.db2.gz XGAAOYSPJPLJSE-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNCc2ncccn2)c1[O-] ZINC001422284311 1000803094 /nfs/dbraw/zinc/80/30/94/1000803094.db2.gz QTRIIQZFACEWEX-SECBINFHSA-N -1 0 306.326 -0.906 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)c(C)o1 ZINC001410565344 1000806975 /nfs/dbraw/zinc/80/69/75/1000806975.db2.gz FAZBATXZNZQJEA-VIFPVBQESA-N -1 0 309.326 -0.399 20 0 DBADRM COC(=O)C(C)(C)N(C)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591226899 1016442240 /nfs/dbraw/zinc/44/22/40/1016442240.db2.gz OVTWPHQAYIGQHE-SSDOTTSWSA-N -1 0 322.329 -0.571 20 0 DBADRM COC(=O)/C(C)=C/COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591230042 1016443050 /nfs/dbraw/zinc/44/30/50/1016443050.db2.gz YINAZIGARVSDQS-IPWDFOCMSA-N -1 0 321.297 -0.318 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@H]1c1ccco1 ZINC001410725245 1000877520 /nfs/dbraw/zinc/87/75/20/1000877520.db2.gz LSLSCYTVRZECLA-IVZWLZJFSA-N -1 0 321.337 -0.526 20 0 DBADRM COC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001591247574 1016448793 /nfs/dbraw/zinc/44/87/93/1016448793.db2.gz VMCQPCBTQLEMFM-UHFFFAOYSA-N -1 0 313.295 -0.556 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@]12C[C@@H]1CCCC2 ZINC001410732138 1000882637 /nfs/dbraw/zinc/88/26/37/1000882637.db2.gz QUNMABFDLBVUKK-RBZYPMLTSA-N -1 0 309.370 -0.343 20 0 DBADRM C[C@H](CC(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccco1 ZINC001410760439 1000890847 /nfs/dbraw/zinc/89/08/47/1000890847.db2.gz YQVKPQUEXZEVLI-NXEZZACHSA-N -1 0 323.353 -0.136 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCNC(=O)CC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422535587 1000899388 /nfs/dbraw/zinc/89/93/88/1000899388.db2.gz GAOZAQRVHZAAMZ-UWVGGRQHSA-N -1 0 324.385 -0.637 20 0 DBADRM COC(=O)C1(C(=O)COc2cnc(-c3nnn[n-]3)nc2)CC1 ZINC001591241807 1016445417 /nfs/dbraw/zinc/44/54/17/1016445417.db2.gz DTNAMKKZRMTPHK-UHFFFAOYSA-N -1 0 304.266 -0.442 20 0 DBADRM CC(=O)N(C)CC(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001410880857 1000945420 /nfs/dbraw/zinc/94/54/20/1000945420.db2.gz CXGQATWHCUOQCJ-UHFFFAOYSA-N -1 0 323.353 -0.815 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591258900 1016452551 /nfs/dbraw/zinc/45/25/51/1016452551.db2.gz CKZNHEGXRSMAJN-MRVPVSSYSA-N -1 0 321.293 -0.774 20 0 DBADRM COC(=O)C[C@@H](C)CC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591259649 1016453427 /nfs/dbraw/zinc/45/34/27/1016453427.db2.gz YFZRARWJUGEQIQ-QMMMGPOBSA-N -1 0 322.329 -0.836 20 0 DBADRM C[C@H]1[C@@H](NC(=O)CCCC(N)=O)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001410926895 1000962553 /nfs/dbraw/zinc/96/25/53/1000962553.db2.gz NDABCHCSHWTUKJ-UWVGGRQHSA-N -1 0 324.385 -0.365 20 0 DBADRM COC(=O)C1CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001591255813 1016454310 /nfs/dbraw/zinc/45/43/10/1016454310.db2.gz WJIMYAMAEOTOOF-UHFFFAOYSA-N -1 0 303.278 -0.183 20 0 DBADRM C[C@H](NC(=O)Cc1cncn1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001422751128 1000996471 /nfs/dbraw/zinc/99/64/71/1000996471.db2.gz IVMLSEQIJBHNJW-VIFPVBQESA-N -1 0 319.369 -0.577 20 0 DBADRM Cc1nc(CNC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)c(C)o1 ZINC001422750407 1000997370 /nfs/dbraw/zinc/99/73/70/1000997370.db2.gz ZWXWETLBERIASR-ZETCQYMHSA-N -1 0 324.341 -0.411 20 0 DBADRM CC(C)OCC(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001422797240 1001011844 /nfs/dbraw/zinc/01/18/44/1001011844.db2.gz ARIBCYKVKSCOSR-RTCCRHLQSA-N -1 0 309.370 -0.271 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCCC(N)=O ZINC001422814225 1001019145 /nfs/dbraw/zinc/01/91/45/1001019145.db2.gz OPNNYBKFAKGVSH-SECBINFHSA-N -1 0 324.385 -0.508 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001422817716 1001021921 /nfs/dbraw/zinc/02/19/21/1001021921.db2.gz DTQMZVLWFZPEBD-UWVGGRQHSA-N -1 0 324.385 -0.637 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001422827054 1001025137 /nfs/dbraw/zinc/02/51/37/1001025137.db2.gz QAUADFWOZVAMCW-OPRDCNLKSA-N -1 0 319.369 -0.026 20 0 DBADRM Cc1ncc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1C ZINC001422869103 1001044276 /nfs/dbraw/zinc/04/42/76/1001044276.db2.gz AEOIUYVESSLBEC-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM CCn1cc(CC(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001422904970 1001056000 /nfs/dbraw/zinc/05/60/00/1001056000.db2.gz AAKAEQBMUWBUSK-SNVBAGLBSA-N -1 0 321.385 -0.094 20 0 DBADRM CC(C)CCn1cc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])nn1 ZINC001591274566 1016461514 /nfs/dbraw/zinc/46/15/14/1016461514.db2.gz RJLZPLQKYFRWJB-NSHDSACASA-N -1 0 323.353 -0.308 20 0 DBADRM COC(=O)NC1CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001591273597 1016462232 /nfs/dbraw/zinc/46/22/32/1016462232.db2.gz UYLBLDRFSUUZHT-UHFFFAOYSA-N -1 0 318.293 -0.247 20 0 DBADRM Cc1nccc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001422929440 1001065783 /nfs/dbraw/zinc/06/57/83/1001065783.db2.gz SKDRMZNWEVAZGL-QMMMGPOBSA-N -1 0 305.342 -0.141 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001422945618 1001068543 /nfs/dbraw/zinc/06/85/43/1001068543.db2.gz NDFCEUVDWWRTHH-UWVGGRQHSA-N -1 0 321.385 -0.016 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001422945624 1001068693 /nfs/dbraw/zinc/06/86/93/1001068693.db2.gz NDFCEUVDWWRTHH-ZJUUUORDSA-N -1 0 321.385 -0.016 20 0 DBADRM CCC(=O)N(C)C[C@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001411287140 1001090473 /nfs/dbraw/zinc/09/04/73/1001090473.db2.gz UZPFUSJPHOWUHD-MRVPVSSYSA-N -1 0 309.326 -0.244 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@H](C)S(C)(=O)=O)cc1=O ZINC001411321068 1001098280 /nfs/dbraw/zinc/09/82/80/1001098280.db2.gz GBXHCZWLDVEYDA-JTQLQIEISA-N -1 0 317.411 -0.076 20 0 DBADRM COc1cc(C)nc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001411330484 1001098564 /nfs/dbraw/zinc/09/85/64/1001098564.db2.gz IQNXCBPJUVUZEY-UHFFFAOYSA-N -1 0 315.293 -0.183 20 0 DBADRM COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591277735 1016466475 /nfs/dbraw/zinc/46/64/75/1016466475.db2.gz UTAMGBFCQSLHGC-YUMQZZPRSA-N -1 0 320.313 -0.817 20 0 DBADRM COC(=O)[C@H](CC1CC1)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001411442582 1001127862 /nfs/dbraw/zinc/12/78/62/1001127862.db2.gz CMEDKOCYIASWSJ-JTQLQIEISA-N -1 0 319.321 -0.471 20 0 DBADRM CC(C)CN(C(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-])C1CC1 ZINC001591281606 1016467850 /nfs/dbraw/zinc/46/78/50/1016467850.db2.gz UTZNSAFSUPFUBS-GFCCVEGCSA-N -1 0 311.382 -0.092 20 0 DBADRM Cc1cc(CN[C@@H](C)CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001423149605 1001138213 /nfs/dbraw/zinc/13/82/13/1001138213.db2.gz OFAULIORMXPLGT-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(COC(=O)C2CC2)c1 ZINC001591285114 1016472307 /nfs/dbraw/zinc/47/23/07/1016472307.db2.gz DXCZUNLPUOOSGI-UHFFFAOYSA-N -1 0 319.277 -0.274 20 0 DBADRM COC(=O)c1cc(Cn2cccc(-c3nnn[n-]3)c2=O)on1 ZINC001591289068 1016472359 /nfs/dbraw/zinc/47/23/59/1016472359.db2.gz NIFVSLOWSNROCV-UHFFFAOYSA-N -1 0 302.250 -0.149 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001423191054 1001155560 /nfs/dbraw/zinc/15/55/60/1001155560.db2.gz CWYKWAYGPKLCIN-UXCLJVHYSA-N -1 0 309.370 -0.487 20 0 DBADRM CC[C@@](C)(NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(N)=O ZINC001411559471 1001162101 /nfs/dbraw/zinc/16/21/01/1001162101.db2.gz BGHDBYDBZJYEBB-GFCCVEGCSA-N -1 0 314.367 -0.163 20 0 DBADRM C[C@H](C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1)n1cccn1 ZINC001423198522 1001164106 /nfs/dbraw/zinc/16/41/06/1001164106.db2.gz VRZFLHIEKPCLLQ-SECBINFHSA-N -1 0 305.342 -0.294 20 0 DBADRM C[C@H](CNC(=O)C1(C)CC1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001411566423 1001166071 /nfs/dbraw/zinc/16/60/71/1001166071.db2.gz DIJSNZXAJMYJEV-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM CC/C(C)=C/C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001494890519 1016468907 /nfs/dbraw/zinc/46/89/07/1016468907.db2.gz LBEPDVVUAIJPEG-IVGLGHLBSA-N -1 0 309.326 -0.126 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)c2cnon2)c1[O-] ZINC001411647351 1001189924 /nfs/dbraw/zinc/18/99/24/1001189924.db2.gz NLSQLYXBSXXFHI-ZCFIWIBFSA-N -1 0 308.298 -0.303 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2ccon2)c1 ZINC001591286127 1016471412 /nfs/dbraw/zinc/47/14/12/1016471412.db2.gz XOJZVWNNQWSQJF-UHFFFAOYSA-N -1 0 302.250 -0.149 20 0 DBADRM CC(C)CN(CC(=O)[O-])S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001591303261 1016474629 /nfs/dbraw/zinc/47/46/29/1016474629.db2.gz OOZBPYWIDPFIMN-SFHVURJKSA-N -1 0 315.417 -0.152 20 0 DBADRM COCCN(Cc1cccnc1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001411747564 1001213454 /nfs/dbraw/zinc/21/34/54/1001213454.db2.gz WWAOJPCOFSJVNX-UHFFFAOYSA-N -1 0 307.310 -0.241 20 0 DBADRM C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001411780722 1001225779 /nfs/dbraw/zinc/22/57/79/1001225779.db2.gz TVFZBIKOPFHERA-NXEZZACHSA-N -1 0 304.310 -0.038 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H](C(F)(F)F)O1 ZINC001411837163 1001234963 /nfs/dbraw/zinc/23/49/63/1001234963.db2.gz OELCTVLPLZTJAH-PHDIDXHHSA-N -1 0 310.232 -0.133 20 0 DBADRM CCC[C@@H](NC(=O)c1cn(C(F)(F)CO)nn1)c1nnn[n-]1 ZINC001411851468 1001237697 /nfs/dbraw/zinc/23/76/97/1001237697.db2.gz BNRCUSFRGNOUSE-ZCFIWIBFSA-N -1 0 316.272 -0.396 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)O1 ZINC001411884864 1001241529 /nfs/dbraw/zinc/24/15/29/1001241529.db2.gz CZYWSIOQIVEQMS-NSHDSACASA-N -1 0 318.337 -0.044 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001591323341 1016477781 /nfs/dbraw/zinc/47/77/81/1016477781.db2.gz XPHZBHYILZKOOI-LURJTMIESA-N -1 0 315.311 -0.446 20 0 DBADRM CO[C@H](C)C(=O)NCCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001591320064 1016477831 /nfs/dbraw/zinc/47/78/31/1016477831.db2.gz JQBCXLYIXIAAIC-MRVPVSSYSA-N -1 0 306.330 -0.968 20 0 DBADRM COc1c(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)cnn1C ZINC001423309950 1001249384 /nfs/dbraw/zinc/24/93/84/1001249384.db2.gz BFTNLAQXPHKQTL-UHFFFAOYSA-N -1 0 321.341 -0.695 20 0 DBADRM O=C(NC[C@@]1(O)CCOC1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001411934704 1001254944 /nfs/dbraw/zinc/25/49/44/1001254944.db2.gz FSNVORQTBDEIOX-AWEZNQCLSA-N -1 0 320.305 -0.853 20 0 DBADRM C[C@H](CNC(=O)c1cccc(-n2[n-]nnc2=N)c1)S(C)(=O)=O ZINC001411938050 1001256467 /nfs/dbraw/zinc/25/64/67/1001256467.db2.gz BYYIZJMOWNJCFF-MRVPVSSYSA-N -1 0 324.366 -0.762 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H](CO)c2cnn(C)c2)cc1=O ZINC001411974047 1001265625 /nfs/dbraw/zinc/26/56/25/1001265625.db2.gz ITWBYUPZZHKMSL-ZDUSSCGKSA-N -1 0 321.381 -0.042 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@H](CO)c2cnn(C)c2)cc1=O ZINC001411974036 1001266243 /nfs/dbraw/zinc/26/62/43/1001266243.db2.gz ITWBYUPZZHKMSL-CYBMUJFWSA-N -1 0 321.381 -0.042 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001411979415 1001267612 /nfs/dbraw/zinc/26/76/12/1001267612.db2.gz NVJXXDNRXZUHAP-KHQFGBGNSA-N -1 0 323.353 -0.692 20 0 DBADRM C[C@H](CN(C)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)c1nnn[n-]1 ZINC001411993515 1001270819 /nfs/dbraw/zinc/27/08/19/1001270819.db2.gz XVQGTIKZUMRGPP-BBBLOLIVSA-N -1 0 310.358 -0.425 20 0 DBADRM COC(=O)[C@@]1(NC(=O)c2c[n-]n3c2nccc3=O)CCSC1 ZINC001412007092 1001276525 /nfs/dbraw/zinc/27/65/25/1001276525.db2.gz PUIRYRUBGBEIPI-CYBMUJFWSA-N -1 0 322.346 -0.199 20 0 DBADRM C[C@H]1CN(C(=O)CCCc2nnn[n-]2)CCS(=O)(=O)C1 ZINC001412025589 1001282255 /nfs/dbraw/zinc/28/22/55/1001282255.db2.gz LIINZQOHZRLYIV-VIFPVBQESA-N -1 0 301.372 -0.585 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnc2[nH]ccc2c1 ZINC001412034257 1001284458 /nfs/dbraw/zinc/28/44/58/1001284458.db2.gz ZYKNIQRHDIRXPJ-UHFFFAOYSA-N -1 0 310.335 -0.290 20 0 DBADRM COC1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCC1 ZINC001591341840 1016483706 /nfs/dbraw/zinc/48/37/06/1016483706.db2.gz VZXPMSCHHHOJIP-UHFFFAOYSA-N -1 0 306.330 -0.466 20 0 DBADRM COC(OC)[C@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591333837 1016483840 /nfs/dbraw/zinc/48/38/40/1016483840.db2.gz KDPHNVSKTVSIPV-NKWVEPMBSA-N -1 0 310.318 -0.857 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cn1 ZINC001412058056 1001290722 /nfs/dbraw/zinc/29/07/22/1001290722.db2.gz LKQMOWXEYMPSKR-SECBINFHSA-N -1 0 301.310 -0.287 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001412061787 1001292558 /nfs/dbraw/zinc/29/25/58/1001292558.db2.gz ZOWJDEASXIRJAK-SECBINFHSA-N -1 0 301.372 -0.271 20 0 DBADRM CCC(CC)(NC(=O)CC1CS(=O)(=O)C1)c1nnn[n-]1 ZINC001412114463 1001304366 /nfs/dbraw/zinc/30/43/66/1001304366.db2.gz YGRXHVNPVJMBDB-UHFFFAOYSA-N -1 0 301.372 -0.234 20 0 DBADRM COC(=O)[C@]12CN(C(=O)CCCc3nnn[n-]3)C[C@H]1COCC2 ZINC001412094988 1001299784 /nfs/dbraw/zinc/29/97/84/1001299784.db2.gz WOIIKNKDAYQXFL-IINYFYTJSA-N -1 0 323.353 -0.440 20 0 DBADRM Cc1nc(CNC[C@H](O)CN(C)C(=O)c2n[nH]c(C)c2[O-])co1 ZINC001423436353 1001301314 /nfs/dbraw/zinc/30/13/14/1001301314.db2.gz WHXWRGUDKVBICB-NSHDSACASA-N -1 0 323.353 -0.057 20 0 DBADRM CC1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[S@@]1=O ZINC001412125260 1001307247 /nfs/dbraw/zinc/30/72/47/1001307247.db2.gz MAGBDHANSXXZEU-FQEVSTJZSA-N -1 0 300.340 -0.344 20 0 DBADRM CN(C)C(=O)O[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001412160376 1001318660 /nfs/dbraw/zinc/31/86/60/1001318660.db2.gz OCRWDPOSMQIZRN-QMMMGPOBSA-N -1 0 313.314 -0.622 20 0 DBADRM COC1(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCC1 ZINC001591341067 1016481601 /nfs/dbraw/zinc/48/16/01/1016481601.db2.gz KROVJYLJNQXYHB-UHFFFAOYSA-N -1 0 306.330 -0.466 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCO1 ZINC001412232346 1001341902 /nfs/dbraw/zinc/34/19/02/1001341902.db2.gz XCOTZRHZFYLYIP-XCBNKYQSSA-N -1 0 320.305 -0.342 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCO1 ZINC001412232338 1001342176 /nfs/dbraw/zinc/34/21/76/1001342176.db2.gz XCOTZRHZFYLYIP-OIBJUYFYSA-N -1 0 320.305 -0.342 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)[C@H]1CC1(F)F ZINC001423499578 1001346768 /nfs/dbraw/zinc/34/67/68/1001346768.db2.gz HYNYNPCYFMWNFT-JGVFFNPUSA-N -1 0 319.312 -0.583 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)[C@@H]1CC1(F)F ZINC001423499592 1001347350 /nfs/dbraw/zinc/34/73/50/1001347350.db2.gz HYNYNPCYFMWNFT-YUMQZZPRSA-N -1 0 319.312 -0.583 20 0 DBADRM CO[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC[C@@H]1C ZINC001591363072 1016486730 /nfs/dbraw/zinc/48/67/30/1016486730.db2.gz SHPVWQOSJRKRLA-YUMQZZPRSA-N -1 0 321.341 -0.885 20 0 DBADRM CO[C@H](CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)C ZINC001591330535 1016483172 /nfs/dbraw/zinc/48/31/72/1016483172.db2.gz ITIFKCSXTXFCJH-RKDXNWHRSA-N -1 0 308.346 -0.194 20 0 DBADRM CNC(=O)[C@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001412265804 1001352352 /nfs/dbraw/zinc/35/23/52/1001352352.db2.gz NLGBNTKLUIKSPV-JTQLQIEISA-N -1 0 315.337 -0.717 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)CCNS(C)(=O)=O)c1nc(=O)o[n-]1 ZINC001412266676 1001352360 /nfs/dbraw/zinc/35/23/60/1001352360.db2.gz HBRYWJKSPITRDF-QMMMGPOBSA-N -1 0 320.371 -0.494 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001412294824 1001359438 /nfs/dbraw/zinc/35/94/38/1001359438.db2.gz ZZFLOSFYZQVZBC-MRVPVSSYSA-N -1 0 303.340 -0.464 20 0 DBADRM Cc1cc(C(=O)N(C)Cc2nc(=O)o[n-]2)c(C)n1NC(N)=O ZINC001412290025 1001360023 /nfs/dbraw/zinc/36/00/23/1001360023.db2.gz IXUOYEUGKSWCPG-UHFFFAOYSA-N -1 0 308.298 -0.324 20 0 DBADRM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412299526 1001360637 /nfs/dbraw/zinc/36/06/37/1001360637.db2.gz VUUWPGYQGKMNAF-YIZRAAEISA-N -1 0 311.342 -0.407 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412299521 1001361012 /nfs/dbraw/zinc/36/10/12/1001361012.db2.gz VUUWPGYQGKMNAF-DJLDLDEBSA-N -1 0 311.342 -0.407 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1ccncc1N1CCCC1 ZINC001412318523 1001365508 /nfs/dbraw/zinc/36/55/08/1001365508.db2.gz NMWOFCCWOHHOQT-UHFFFAOYSA-N -1 0 317.353 -0.011 20 0 DBADRM CCC(=O)N(C)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001412321491 1001367547 /nfs/dbraw/zinc/36/75/47/1001367547.db2.gz SYHYYRVUYPTXRQ-QMMMGPOBSA-N -1 0 309.326 -0.340 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N[C@@H](CCSC)c1nnn[n-]1 ZINC001412365674 1001377202 /nfs/dbraw/zinc/37/72/02/1001377202.db2.gz FESREVHKLSMYGD-JGVFFNPUSA-N -1 0 315.403 -0.053 20 0 DBADRM CC(C)CN1N=C(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)CCC1=O ZINC001591366951 1016490722 /nfs/dbraw/zinc/49/07/22/1016490722.db2.gz HRPQYEJZUAEVSQ-AWEZNQCLSA-N -1 0 311.338 -0.331 20 0 DBADRM CCN(CC)C(=O)CN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412377148 1001380796 /nfs/dbraw/zinc/38/07/96/1001380796.db2.gz WHQATAUJGPCRIM-UHFFFAOYSA-N -1 0 313.358 -0.204 20 0 DBADRM NC(=O)[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC001412380978 1001381893 /nfs/dbraw/zinc/38/18/93/1001381893.db2.gz LVNQHKRUBIRHLL-SECBINFHSA-N -1 0 307.335 -0.055 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCCN1C(=O)CCCc1nnn[n-]1 ZINC001412401089 1001387278 /nfs/dbraw/zinc/38/72/78/1001387278.db2.gz AYWZQOFMSLUWTI-SECBINFHSA-N -1 0 316.387 -0.808 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001412402715 1001388513 /nfs/dbraw/zinc/38/85/13/1001388513.db2.gz UEVCIEBSGLJPGG-LBPRGKRZSA-N -1 0 321.362 -0.018 20 0 DBADRM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1n[n-]c2ccccc2c1=O ZINC001412407600 1001389925 /nfs/dbraw/zinc/38/99/25/1001389925.db2.gz RQJLSMQPPUSNJI-NXEZZACHSA-N -1 0 323.330 -0.777 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC001412421370 1001396659 /nfs/dbraw/zinc/39/66/59/1001396659.db2.gz YKAJQQOZDJSGLC-BDAKNGLRSA-N -1 0 301.306 -0.484 20 0 DBADRM NC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2[O-])CCO1 ZINC001423659005 1001399770 /nfs/dbraw/zinc/39/97/70/1001399770.db2.gz YHYMSFHGNRTHHK-QMMMGPOBSA-N -1 0 320.754 -0.080 20 0 DBADRM O=C(c1cnc2n1CCCC2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001412434505 1001400491 /nfs/dbraw/zinc/40/04/91/1001400491.db2.gz WETIXAQDMHMEFV-SNVBAGLBSA-N -1 0 303.326 -0.054 20 0 DBADRM NC(=O)c1cccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1 ZINC001412434129 1001401508 /nfs/dbraw/zinc/40/15/08/1001401508.db2.gz UDKZPODFZWPWEA-SNVBAGLBSA-N -1 0 302.294 -0.488 20 0 DBADRM CCN1CC[C@@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC001412460014 1001410842 /nfs/dbraw/zinc/41/08/42/1001410842.db2.gz MAVOIJOIAGAAMD-ZCFIWIBFSA-N -1 0 305.385 -0.058 20 0 DBADRM O=C(NC[C@]1(CO)COCCN1)c1n[n-]c2ccccc2c1=O ZINC001412462186 1001412138 /nfs/dbraw/zinc/41/21/38/1001412138.db2.gz OWVJBSPVCLUFAU-HNNXBMFYSA-N -1 0 318.333 -0.584 20 0 DBADRM CN(C)c1noc(CCC(=O)N2CCC(c3nnn[n-]3)CC2)n1 ZINC001412485026 1001421168 /nfs/dbraw/zinc/42/11/68/1001421168.db2.gz GGHGTPQPYUJYJI-UHFFFAOYSA-N -1 0 320.357 -0.013 20 0 DBADRM CC(C)CNC(=O)CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001591370665 1016494128 /nfs/dbraw/zinc/49/41/28/1016494128.db2.gz OUQKAXZVIKNSBN-UHFFFAOYSA-N -1 0 315.351 -0.170 20 0 DBADRM CC(=O)Nc1cccnc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001412528131 1001438549 /nfs/dbraw/zinc/43/85/49/1001438549.db2.gz FNDNAQOCPRCIKO-JTQLQIEISA-N -1 0 317.309 -0.233 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001412530453 1001439413 /nfs/dbraw/zinc/43/94/13/1001439413.db2.gz UZPTXIRIANUHLZ-KKZNHRDASA-N -1 0 303.326 -0.363 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@@H](C)CS(C)(=O)=O ZINC001412532936 1001440789 /nfs/dbraw/zinc/44/07/89/1001440789.db2.gz TWGGQUZBPGEBLQ-VIFPVBQESA-N -1 0 303.388 -0.135 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC2(CC2)C1 ZINC001423806467 1001443424 /nfs/dbraw/zinc/44/34/24/1001443424.db2.gz ZUVQBJDSIQRVTH-OAHLLOKOSA-N -1 0 321.381 -0.247 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412548410 1001446465 /nfs/dbraw/zinc/44/64/65/1001446465.db2.gz WHKNSSAUHORTJQ-MRVPVSSYSA-N -1 0 320.371 -0.639 20 0 DBADRM COC[C@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C(C)C ZINC001591377062 1016496029 /nfs/dbraw/zinc/49/60/29/1016496029.db2.gz BYAWEBGKOSBJSU-QMMMGPOBSA-N -1 0 323.357 -0.004 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H](C)NC(=O)C1CCC1 ZINC001423840498 1001465009 /nfs/dbraw/zinc/46/50/09/1001465009.db2.gz HNOAXSQIWNFUBS-RNFRBKRXSA-N -1 0 309.326 -0.294 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001423848422 1001474913 /nfs/dbraw/zinc/47/49/13/1001474913.db2.gz IJRNZTINDZLWDK-MRVPVSSYSA-N -1 0 308.385 -0.888 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2ncc[n-]2)O1 ZINC001423847013 1001474933 /nfs/dbraw/zinc/47/49/33/1001474933.db2.gz GVWMPBFDRDAWMP-BDAKNGLRSA-N -1 0 302.356 -0.676 20 0 DBADRM COC[C@H](NC(=O)[C@H](C)NC(=O)c1cccs1)c1nnn[n-]1 ZINC001412597499 1001477883 /nfs/dbraw/zinc/47/78/83/1001477883.db2.gz RTEFLHSCFWAQQN-YUMQZZPRSA-N -1 0 324.366 -0.117 20 0 DBADRM Cc1nn(CC(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)c(=O)o1 ZINC001412605481 1001486982 /nfs/dbraw/zinc/48/69/82/1001486982.db2.gz FRYOOQPFUQZBEX-SECBINFHSA-N -1 0 307.314 -0.861 20 0 DBADRM Cn1cnc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)cc1=O ZINC001412612537 1001493544 /nfs/dbraw/zinc/49/35/44/1001493544.db2.gz PFWMGWYOQUVPMB-SECBINFHSA-N -1 0 303.326 -0.612 20 0 DBADRM O=C(N1CCC[C@H](Cc2nnn[n-]2)C1)C1(CO)CCOCC1 ZINC001412619098 1001499334 /nfs/dbraw/zinc/49/93/34/1001499334.db2.gz YRSFNCNZDYDVOW-LLVKDONJSA-N -1 0 309.370 -0.230 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC(OCC(F)F)C1 ZINC001412616372 1001499914 /nfs/dbraw/zinc/49/99/14/1001499914.db2.gz IJJLRMJXNLSUNI-UHFFFAOYSA-N -1 0 306.269 -0.038 20 0 DBADRM COC[C@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@H]1CCCOC1 ZINC001591383173 1016501983 /nfs/dbraw/zinc/50/19/83/1016501983.db2.gz XOGPHKOGWXZHNR-UWVGGRQHSA-N -1 0 305.342 -0.068 20 0 DBADRM COc1cccc([C@H](O)CNC(=O)c2n[nH]c(=O)[n-]c2=O)c1 ZINC001412665161 1001526127 /nfs/dbraw/zinc/52/61/27/1001526127.db2.gz SMGOJRZRGXTAEP-SECBINFHSA-N -1 0 306.278 -0.245 20 0 DBADRM COC[C@]1(C)CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001591385917 1016502244 /nfs/dbraw/zinc/50/22/44/1016502244.db2.gz GLCLVXBYFPFGHK-CYBMUJFWSA-N -1 0 321.341 -0.884 20 0 DBADRM CC(=O)NC[C@H](CO)NC(=O)c1n[n-]c2ccccc2c1=O ZINC001412719237 1001540044 /nfs/dbraw/zinc/54/00/44/1001540044.db2.gz BGQUIVLAWVXXTF-SECBINFHSA-N -1 0 304.306 -0.438 20 0 DBADRM COC[C@H](Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O)C(C)C ZINC001591380019 1016503400 /nfs/dbraw/zinc/50/34/00/1016503400.db2.gz XADQPLKXRQOHBL-VIFPVBQESA-N -1 0 308.342 -0.354 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC001412730636 1001545711 /nfs/dbraw/zinc/54/57/11/1001545711.db2.gz AZYANEMDUHNJFD-IUCAKERBSA-N -1 0 310.310 -0.307 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCNC(=O)[C@@H]1c1ccccc1F ZINC001412735461 1001548092 /nfs/dbraw/zinc/54/80/92/1001548092.db2.gz QUOUAYNUQYNPGG-ZDUSSCGKSA-N -1 0 318.312 -0.029 20 0 DBADRM COC(=O)[C@]12CN(S(=O)(=O)c3ncc[n-]3)C[C@H]1COCC2 ZINC001424025822 1001549443 /nfs/dbraw/zinc/54/94/43/1001549443.db2.gz VEELYIOMPAHFLP-JOYOIKCWSA-N -1 0 315.351 -0.390 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc(N2CCCC2=O)cn1 ZINC001412737466 1001549674 /nfs/dbraw/zinc/54/96/74/1001549674.db2.gz WHSRYOWRFPLZLZ-UHFFFAOYSA-N -1 0 318.293 -0.150 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(CCO)CC2CC2)n[nH]1 ZINC001424031641 1001550982 /nfs/dbraw/zinc/55/09/82/1001550982.db2.gz IMYMVZIXUOQTRE-UHFFFAOYSA-N -1 0 303.340 -0.411 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001424038739 1001552249 /nfs/dbraw/zinc/55/22/49/1001552249.db2.gz JGEZHBSCAMMZKZ-GHMZBOCLSA-N -1 0 322.369 -0.788 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccnn1C1CCOCC1 ZINC001412764809 1001566128 /nfs/dbraw/zinc/56/61/28/1001566128.db2.gz MPLCDNIBISJMHD-UHFFFAOYSA-N -1 0 308.298 -0.124 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H](CO)[C@H]1CCOC1 ZINC001412775445 1001572142 /nfs/dbraw/zinc/57/21/42/1001572142.db2.gz FMNSNRMXVXVHFB-YUMQZZPRSA-N -1 0 312.288 -0.043 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@H](CO)Cc1ccc(O)cc1 ZINC001412783360 1001578264 /nfs/dbraw/zinc/57/82/64/1001578264.db2.gz ODJPDQPEFRLJHZ-NSHDSACASA-N -1 0 305.338 -0.052 20 0 DBADRM COC(=O)[C@@H](CNC(=O)CCCc1nnn[n-]1)[C@@H]1CCOC1 ZINC001412801426 1001591739 /nfs/dbraw/zinc/59/17/39/1001591739.db2.gz AZKKHGXBWYFZRP-ZJUUUORDSA-N -1 0 311.342 -0.536 20 0 DBADRM C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2n[nH]c(=O)[n-]2)CCC1 ZINC001424191174 1001591991 /nfs/dbraw/zinc/59/19/91/1001591991.db2.gz BQJOBVQRRSRFDH-SNVBAGLBSA-N -1 0 308.386 -0.267 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)COC(C)C)c1[O-] ZINC001412801748 1001592137 /nfs/dbraw/zinc/59/21/37/1001592137.db2.gz ALLHYOKZGDUKQZ-VIFPVBQESA-N -1 0 314.342 -0.944 20 0 DBADRM CCO[C@H]1COCC[C@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412812688 1001599109 /nfs/dbraw/zinc/59/91/09/1001599109.db2.gz RZSNBONATAEZJJ-ZJUUUORDSA-N -1 0 314.342 -0.220 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C(C)(C)F ZINC001424229810 1001602949 /nfs/dbraw/zinc/60/29/49/1001602949.db2.gz IYGBOOWZUOQPJB-ZCFIWIBFSA-N -1 0 315.305 -0.392 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)[C@@H]1C[C@H]1C ZINC001424232839 1001603737 /nfs/dbraw/zinc/60/37/37/1001603737.db2.gz NJVCGGUYXWQTPQ-BWZBUEFSSA-N -1 0 309.326 -0.485 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)[C@@H]1C[C@H]1C ZINC001424232841 1001603965 /nfs/dbraw/zinc/60/39/65/1001603965.db2.gz NJVCGGUYXWQTPQ-GJMOJQLCSA-N -1 0 309.326 -0.485 20 0 DBADRM Cc1cc(CCC(=O)NCCC(=O)[N-]S(C)(=O)=O)[nH]n1 ZINC001412822383 1001605234 /nfs/dbraw/zinc/60/52/34/1001605234.db2.gz CGDGWSPOFMRYDD-UHFFFAOYSA-N -1 0 302.356 -0.767 20 0 DBADRM CNc1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nc1 ZINC001412825521 1001605827 /nfs/dbraw/zinc/60/58/27/1001605827.db2.gz ITYAOQUJJBQOJO-UHFFFAOYSA-N -1 0 300.340 -0.681 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)[C@@H]1CC12CC2 ZINC001424241610 1001606451 /nfs/dbraw/zinc/60/64/51/1001606451.db2.gz FZKAOGWBSPNWDH-BDAKNGLRSA-N -1 0 323.353 -0.548 20 0 DBADRM CCCn1ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1C ZINC001412828884 1001609010 /nfs/dbraw/zinc/60/90/10/1001609010.db2.gz OPSCSGKMDGTIGU-UHFFFAOYSA-N -1 0 316.383 -0.203 20 0 DBADRM C[C@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC[S@@](=O)C1 ZINC001412830182 1001609121 /nfs/dbraw/zinc/60/91/21/1001609121.db2.gz PIEDPFXTGDOZMP-JLTPVHFHSA-N -1 0 316.383 -0.304 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001412833412 1001610808 /nfs/dbraw/zinc/61/08/08/1001610808.db2.gz XIOZUWUXVFHRCM-WDEREUQCSA-N -1 0 311.363 -0.233 20 0 DBADRM COCCC1(C)CN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001591400792 1016510411 /nfs/dbraw/zinc/51/04/11/1016510411.db2.gz VAJMHBIGXQHLNE-SECBINFHSA-N -1 0 320.357 -0.096 20 0 DBADRM CN(CCCN(C)C(=O)C[C@@H]1CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001424329932 1001624897 /nfs/dbraw/zinc/62/48/97/1001624897.db2.gz SXPDATCXOBFRAG-JTQLQIEISA-N -1 0 324.385 -0.541 20 0 DBADRM O=C(NC[C@@H]1CNC(=O)C1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001412865874 1001627878 /nfs/dbraw/zinc/62/78/78/1001627878.db2.gz XKHALMMLACCLSZ-QMMMGPOBSA-N -1 0 302.290 -0.104 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@H](CO)[C@H]1CCOC1 ZINC001412880618 1001634023 /nfs/dbraw/zinc/63/40/23/1001634023.db2.gz IUACVBBCYCOXLM-VHSXEESVSA-N -1 0 314.342 -0.769 20 0 DBADRM CCn1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c(C)n1 ZINC001412899633 1001640860 /nfs/dbraw/zinc/64/08/60/1001640860.db2.gz MDKQLAMDVNUJIP-UHFFFAOYSA-N -1 0 305.342 -0.152 20 0 DBADRM CSc1nc(=O)[nH]c(C)c1C(=O)NCCc1nc(=O)o[n-]1 ZINC001412901761 1001641030 /nfs/dbraw/zinc/64/10/30/1001641030.db2.gz VJVDHRBRDGNQQR-UHFFFAOYSA-N -1 0 311.323 -0.139 20 0 DBADRM O=S(=O)(N[C@@H]1COC[C@@H]1O)c1ccc(Cl)c2nonc21 ZINC001424449532 1001643457 /nfs/dbraw/zinc/64/34/57/1001643457.db2.gz KHKDGDSQSXVJTE-RQJHMYQMSA-N -1 0 319.726 -0.086 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CO[C@H](C3CC3)C2)c(=O)[nH]c1=O ZINC001424449500 1001643488 /nfs/dbraw/zinc/64/34/88/1001643488.db2.gz JSQQELRXAMAFFR-BDAKNGLRSA-N -1 0 315.351 -0.668 20 0 DBADRM COCCN(CC(=O)N(C)C)c1ccnc(-c2nnn[n-]2)n1 ZINC001591422075 1016514828 /nfs/dbraw/zinc/51/48/28/1016514828.db2.gz UHGSDLOPGQFEGW-UHFFFAOYSA-N -1 0 306.330 -0.802 20 0 DBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412937533 1001655640 /nfs/dbraw/zinc/65/56/40/1001655640.db2.gz DHEDROJLMKGCFT-NXEZZACHSA-N -1 0 311.342 -0.989 20 0 DBADRM NC(=O)[C@H](CO)NC(=O)c1ncc(Br)cc1[O-] ZINC001412940178 1001657929 /nfs/dbraw/zinc/65/79/29/1001657929.db2.gz KTCOORLGCMXAOD-YFKPBYRVSA-N -1 0 304.100 -0.874 20 0 DBADRM CCN1C[C@H](NC(=O)c2ccc(S(=O)(=O)NC)o2)CC1=O ZINC001412983590 1001675037 /nfs/dbraw/zinc/67/50/37/1001675037.db2.gz TUYMBOAXPHGQKM-MRVPVSSYSA-N -1 0 315.351 -0.462 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@](O)(C(F)F)C1 ZINC001412985330 1001675185 /nfs/dbraw/zinc/67/51/85/1001675185.db2.gz WQGPZSLOZWFUAZ-LLVKDONJSA-N -1 0 306.269 -0.302 20 0 DBADRM Nc1nn2c(nc(CN3CC(F)(F)C[C@@H]3CO)cc2=O)[nH]1 ZINC001412983752 1001675286 /nfs/dbraw/zinc/67/52/86/1001675286.db2.gz UPOSWLMBXBPZNU-SSDOTTSWSA-N -1 0 300.269 -0.798 20 0 DBADRM O=C(CN1c2ccccc2OCCC1=O)Nn1c(=O)[n-][nH]c1=O ZINC001413026851 1001686975 /nfs/dbraw/zinc/68/69/75/1001686975.db2.gz JKOSHKGVCLAJPX-UHFFFAOYSA-N -1 0 319.277 -0.425 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCN(C(=O)CCc2nnn[n-]2)C1 ZINC001413029133 1001687785 /nfs/dbraw/zinc/68/77/85/1001687785.db2.gz YINLQZLKKVOGCY-VIFPVBQESA-N -1 0 301.372 -0.585 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCn2c(CC3CC3)nnc2C1 ZINC001413231280 1001747448 /nfs/dbraw/zinc/74/74/48/1001747448.db2.gz JCYUHDIYKCLILF-UHFFFAOYSA-N -1 0 319.325 -0.724 20 0 DBADRM COCc1nnc2n1CCN(C(=O)CCCc1nnn[n-]1)C2 ZINC001413231572 1001752797 /nfs/dbraw/zinc/75/27/97/1001752797.db2.gz FAUWTOJRHXLDNT-UHFFFAOYSA-N -1 0 306.330 -0.697 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)NC3CSC3)cc-2c(=O)[n-]1 ZINC001424717558 1001755729 /nfs/dbraw/zinc/75/57/29/1001755729.db2.gz OSVJUNABPJVROT-UHFFFAOYSA-N -1 0 314.348 -0.170 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H]2COCC[C@H]2OC)n[nH]1 ZINC001424733514 1001764447 /nfs/dbraw/zinc/76/44/47/1001764447.db2.gz DIUFUENRBUIVLA-RKDXNWHRSA-N -1 0 319.339 -0.722 20 0 DBADRM CC(C)C[C@@H](C(N)=O)N(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001591432047 1016520596 /nfs/dbraw/zinc/52/05/96/1016520596.db2.gz NJMUDXDFAKRHHA-VIFPVBQESA-N -1 0 309.388 -0.531 20 0 DBADRM CN1c2ccccc2C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1=O ZINC001413265376 1001790797 /nfs/dbraw/zinc/79/07/97/1001790797.db2.gz BPFOCCLAAHHIMU-SECBINFHSA-N -1 0 317.305 -0.607 20 0 DBADRM CN1c2ccccc2C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1=O ZINC001413268046 1001792898 /nfs/dbraw/zinc/79/28/98/1001792898.db2.gz SPLPKWPOIZLDBG-MRVPVSSYSA-N -1 0 315.289 -0.400 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]CC(=O)NCC(F)(F)F ZINC001413267160 1001794112 /nfs/dbraw/zinc/79/41/12/1001794112.db2.gz DLUOEXUPVSZNAZ-UHFFFAOYSA-N -1 0 311.307 -0.773 20 0 DBADRM O=C1NCCCC[C@H]1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001413274158 1001799602 /nfs/dbraw/zinc/79/96/02/1001799602.db2.gz FKOQGHVDZZICJK-SECBINFHSA-N -1 0 309.413 -0.249 20 0 DBADRM CN(CCc1ccccn1)C(=O)CNS(=O)(=O)c1ncc[n-]1 ZINC001413287533 1001803752 /nfs/dbraw/zinc/80/37/52/1001803752.db2.gz GLMWMRNCWSNGJT-UHFFFAOYSA-N -1 0 323.378 -0.216 20 0 DBADRM COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)N=S(C)(C)=O ZINC001413302917 1001808043 /nfs/dbraw/zinc/80/80/43/1001808043.db2.gz SVWNGTQYRFZTIN-SECBINFHSA-N -1 0 316.401 -0.483 20 0 DBADRM COC(=O)[C@@H](CNS(=O)(=O)c1ncc[n-]1)[C@@H]1CCOC1 ZINC001424910574 1001812168 /nfs/dbraw/zinc/81/21/68/1001812168.db2.gz HJSNFYOWOBYHQW-BDAKNGLRSA-N -1 0 303.340 -0.486 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C1(C(=O)OCC)CCC1 ZINC001413317935 1001813102 /nfs/dbraw/zinc/81/31/02/1001813102.db2.gz DZVLPUFKLYAJNA-VIFPVBQESA-N -1 0 323.367 -0.684 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C(C)(C)CC(N)=O ZINC001413318857 1001813192 /nfs/dbraw/zinc/81/31/92/1001813192.db2.gz ODMOMBIBBSOSFO-UHFFFAOYSA-N -1 0 304.324 -0.002 20 0 DBADRM Cn1cc(Br)c(C(=O)[N-]n2ccc(=O)[nH]c2=O)n1 ZINC001413331913 1001816847 /nfs/dbraw/zinc/81/68/47/1001816847.db2.gz RHDKAVAEVICEBZ-UHFFFAOYSA-N -1 0 314.099 -0.171 20 0 DBADRM CC(C)CC(=O)N(C)C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001424965357 1001818792 /nfs/dbraw/zinc/81/87/92/1001818792.db2.gz XPBKXOZOUWJLSX-VIFPVBQESA-N -1 0 313.358 -0.302 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCC(CO)(CO)C1 ZINC001413337251 1001819077 /nfs/dbraw/zinc/81/90/77/1001819077.db2.gz NNCQZKFEEDDAMC-UHFFFAOYSA-N -1 0 320.305 -0.747 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2c[n-]ncc2=O)C1 ZINC001413341581 1001820063 /nfs/dbraw/zinc/82/00/63/1001820063.db2.gz JDCHNDAWUVEICA-MRVPVSSYSA-N -1 0 300.340 -0.664 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](n2ccnn2)CC1 ZINC001413344131 1001821675 /nfs/dbraw/zinc/82/16/75/1001821675.db2.gz PXSURCIHEONQNN-SECBINFHSA-N -1 0 307.314 -0.465 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H](CO)Cc1cncs1 ZINC001413353821 1001824002 /nfs/dbraw/zinc/82/40/02/1001824002.db2.gz HBGMYGZFRGTBHS-ZCFIWIBFSA-N -1 0 315.380 -0.221 20 0 DBADRM CC(C)C(=O)N(C)C[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001425000425 1001824540 /nfs/dbraw/zinc/82/45/40/1001824540.db2.gz UPUZWYKIGHURRX-VIFPVBQESA-N -1 0 310.354 -0.281 20 0 DBADRM COCC[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)OC ZINC001413365361 1001827678 /nfs/dbraw/zinc/82/76/78/1001827678.db2.gz IPJALKORVGUWCH-SSDOTTSWSA-N -1 0 302.374 -0.874 20 0 DBADRM COc1cccc(O)c1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001413369690 1001829806 /nfs/dbraw/zinc/82/98/06/1001829806.db2.gz BFWPZAAZXFSXPK-VXNVDRBHSA-N -1 0 301.320 -0.712 20 0 DBADRM C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001413385658 1001834090 /nfs/dbraw/zinc/83/40/90/1001834090.db2.gz IOBXKGAVPRVLKM-MWLCHTKSSA-N -1 0 304.310 -0.038 20 0 DBADRM CC(C)(C)n1cc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)nn1 ZINC001413387727 1001835397 /nfs/dbraw/zinc/83/53/97/1001835397.db2.gz OTWPSIZACUSRHB-VIFPVBQESA-N -1 0 306.330 -0.240 20 0 DBADRM Cc1oncc1CN(C)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001425054080 1001835533 /nfs/dbraw/zinc/83/55/33/1001835533.db2.gz IOYSBJQOUMUGOT-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM CC(C)(C)n1cc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)nn1 ZINC001413387726 1001836055 /nfs/dbraw/zinc/83/60/55/1001836055.db2.gz OTWPSIZACUSRHB-SECBINFHSA-N -1 0 306.330 -0.240 20 0 DBADRM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]N2CCCC2=O)c1 ZINC001413403303 1001838173 /nfs/dbraw/zinc/83/81/73/1001838173.db2.gz VYENEJXWFIFLFL-UHFFFAOYSA-N -1 0 319.364 -0.850 20 0 DBADRM CO[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@](C)(CO)C1 ZINC001413404414 1001838761 /nfs/dbraw/zinc/83/87/61/1001838761.db2.gz HAYCGWSAEFUMLU-LKFCYVNXSA-N -1 0 321.337 -0.931 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C1CC(CO)(CO)C1 ZINC001413411272 1001840224 /nfs/dbraw/zinc/84/02/24/1001840224.db2.gz MNIJESAPWWDSJQ-UHFFFAOYSA-N -1 0 319.335 -0.522 20 0 DBADRM Nc1ncc(S(=O)(=O)[N-]N2CCc3ccccc3C2=O)cn1 ZINC001413411303 1001840814 /nfs/dbraw/zinc/84/08/14/1001840814.db2.gz SMULSUJNRDDYJL-UHFFFAOYSA-N -1 0 319.346 -0.049 20 0 DBADRM C[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)c1nnnn1C1CC1 ZINC001413415470 1001842367 /nfs/dbraw/zinc/84/23/67/1001842367.db2.gz DEKAVKSUYIOWRV-ZCFIWIBFSA-N -1 0 308.389 -0.369 20 0 DBADRM C[C@@H](CNC(=O)c1ccc(=O)[nH]c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001425084904 1001843478 /nfs/dbraw/zinc/84/34/78/1001843478.db2.gz XSDZTHPPUFJXCI-QMMMGPOBSA-N -1 0 306.326 -0.139 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)NCC1N=NC(=O)N1C ZINC001413424693 1001843981 /nfs/dbraw/zinc/84/39/81/1001843981.db2.gz NPZVXBAGSNJEEI-MRVPVSSYSA-N -1 0 320.371 -0.328 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(CC(=O)N(C)C3CC3)CC2)c1[O-] ZINC001433414955 1001848865 /nfs/dbraw/zinc/84/88/65/1001848865.db2.gz CNJAATQQMMXSHQ-UHFFFAOYSA-N -1 0 321.381 -0.198 20 0 DBADRM COC[C@H]1C[C@@H](NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001591453062 1016530451 /nfs/dbraw/zinc/53/04/51/1016530451.db2.gz JTPNMVHQKXYWRJ-XHNCKOQMSA-N -1 0 306.330 -0.440 20 0 DBADRM Cc1nnc(COCC(=O)N2CC[C@H](c3nnn[n-]3)C2)s1 ZINC001413472256 1001857149 /nfs/dbraw/zinc/85/71/49/1001857149.db2.gz SIVKCTVJGORIMF-QMMMGPOBSA-N -1 0 309.355 -0.108 20 0 DBADRM O=C(NCC[C@H]1CCCS1(=O)=O)c1c[n-]n2c1nccc2=O ZINC001413475204 1001858392 /nfs/dbraw/zinc/85/83/92/1001858392.db2.gz CKCGGSWUPOWGJF-SECBINFHSA-N -1 0 324.362 -0.280 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CCC1 ZINC001425171287 1001859580 /nfs/dbraw/zinc/85/95/80/1001859580.db2.gz QGCDSBRLHOHRLX-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(F)F ZINC001425173760 1001860350 /nfs/dbraw/zinc/86/03/50/1001860350.db2.gz UTDNNSQTNJDOGB-LURJTMIESA-N -1 0 321.284 -0.692 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CCS(=O)(=O)N(C)C ZINC001413502530 1001863838 /nfs/dbraw/zinc/86/38/38/1001863838.db2.gz JFRWGQABSVMLCB-UHFFFAOYSA-N -1 0 318.403 -0.534 20 0 DBADRM C[C@H](NC(=O)CN1CCCC1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001425204329 1001864787 /nfs/dbraw/zinc/86/47/87/1001864787.db2.gz GDTZLEXBMLYFTD-VIFPVBQESA-N -1 0 322.369 -0.931 20 0 DBADRM Cn1nc(C(F)(F)F)cc1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001413515552 1001867900 /nfs/dbraw/zinc/86/79/00/1001867900.db2.gz FUIWWAKKZFFWDZ-UHFFFAOYSA-N -1 0 318.215 -0.035 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)CC(N)=O)C(=O)[O-] ZINC001591453231 1016532084 /nfs/dbraw/zinc/53/20/84/1016532084.db2.gz DWPLXGADRQYUGY-BDAKNGLRSA-N -1 0 301.343 -0.770 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)C[C@H]1CCNC1=O)C(=O)[O-] ZINC001591457761 1016532168 /nfs/dbraw/zinc/53/21/68/1016532168.db2.gz SAFJGWYKIGMAJX-ZJUUUORDSA-N -1 0 313.354 -0.756 20 0 DBADRM CN(C)[C@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(F)(F)F ZINC001413524310 1001870474 /nfs/dbraw/zinc/87/04/74/1001870474.db2.gz LDQIXIHRPUVFNL-ZCFIWIBFSA-N -1 0 311.264 -0.312 20 0 DBADRM Cc1nonc1CC(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001425241970 1001873236 /nfs/dbraw/zinc/87/32/36/1001873236.db2.gz BJTNCJHAQBWWQT-SSDOTTSWSA-N -1 0 321.341 -0.619 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2cnn(C)c2)c1[O-] ZINC001433528094 1001875151 /nfs/dbraw/zinc/87/51/51/1001875151.db2.gz RJFWDAFHKNWMPN-ZETCQYMHSA-N -1 0 306.326 -0.294 20 0 DBADRM COC[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)c1nnn[n-]1 ZINC001413559443 1001879349 /nfs/dbraw/zinc/87/93/49/1001879349.db2.gz YFSGADVQFKGQIC-CBAPKCEASA-N -1 0 308.298 -0.585 20 0 DBADRM CNC(=O)N[C@H]1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001413563955 1001881004 /nfs/dbraw/zinc/88/10/04/1001881004.db2.gz WXGWWVUCABHJBN-ZETCQYMHSA-N -1 0 314.371 -0.478 20 0 DBADRM O=C(CC1CC1)NC[C@@H](CO)NC(=O)c1cccc2n[nH]nc21 ZINC001425263908 1001881164 /nfs/dbraw/zinc/88/11/64/1001881164.db2.gz AEVQSXFLGAMRJW-JTQLQIEISA-N -1 0 317.349 -0.035 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@](C)(CO)c1ccc(O)cc1 ZINC001413568870 1001881339 /nfs/dbraw/zinc/88/13/39/1001881339.db2.gz SMRHBQDRFKHMTQ-CYBMUJFWSA-N -1 0 306.326 -0.150 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC001413569051 1001881757 /nfs/dbraw/zinc/88/17/57/1001881757.db2.gz SZVXOLAFKCJTTH-SECBINFHSA-N -1 0 305.346 -0.047 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC001413569054 1001882018 /nfs/dbraw/zinc/88/20/18/1001882018.db2.gz SZVXOLAFKCJTTH-VIFPVBQESA-N -1 0 305.346 -0.047 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1cc(-c2nn[nH]n2)ccc1F ZINC001591467039 1016534058 /nfs/dbraw/zinc/53/40/58/1016534058.db2.gz HGGBIOZCRFZATB-UHFFFAOYSA-N -1 0 309.261 -0.195 20 0 DBADRM C[C@@H](CNC(=O)C1(C2CC2)CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433583287 1001889689 /nfs/dbraw/zinc/88/96/89/1001889689.db2.gz ZJXWHBWSQRFDJT-ZETCQYMHSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@H]1COC[C@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001413618854 1001892102 /nfs/dbraw/zinc/89/21/02/1001892102.db2.gz CCUYUQOTMWTBJJ-OIBJUYFYSA-N -1 0 300.336 -0.196 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1cc(C=O)n(C)n1)C(=O)[O-] ZINC001591463579 1016535424 /nfs/dbraw/zinc/53/54/24/1016535424.db2.gz UCQVDMSZSOQMAA-NSHDSACASA-N -1 0 324.337 -0.422 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H](c1ncon1)C1CC1 ZINC001413632787 1001895409 /nfs/dbraw/zinc/89/54/09/1001895409.db2.gz UYOBZBSQKXEAAC-JTQLQIEISA-N -1 0 315.293 -0.278 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC(=O)NC[C@@H]1c1ccccc1 ZINC001413632663 1001895610 /nfs/dbraw/zinc/89/56/10/1001895610.db2.gz UVJGACXRNQZWMC-SECBINFHSA-N -1 0 315.289 -0.404 20 0 DBADRM COC[C@@H]1COCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001413631766 1001895848 /nfs/dbraw/zinc/89/58/48/1001895848.db2.gz RRRJFKNOWZVBGH-SECBINFHSA-N -1 0 320.305 -0.077 20 0 DBADRM CONC(=O)C1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001591466997 1016536302 /nfs/dbraw/zinc/53/63/02/1016536302.db2.gz GCGDHMXXXKKQPG-UHFFFAOYSA-N -1 0 304.314 -0.449 20 0 DBADRM C[C@H](C[C@H](C)NC(=O)C1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001413654264 1001899588 /nfs/dbraw/zinc/89/95/88/1001899588.db2.gz XBHIGYLYCVOFNG-DTWKUNHWSA-N -1 0 322.365 -0.091 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC001591466903 1016536375 /nfs/dbraw/zinc/53/63/75/1016536375.db2.gz BPPWAHLUHGCTLW-UHFFFAOYSA-N -1 0 321.297 -0.326 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001433621631 1001902193 /nfs/dbraw/zinc/90/21/93/1001902193.db2.gz DDTBIVAACHHBOC-MRVPVSSYSA-N -1 0 303.326 -0.671 20 0 DBADRM COC(=O)COc1cccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001433624350 1001903301 /nfs/dbraw/zinc/90/33/01/1001903301.db2.gz AWDWQKSOGKVTKZ-UHFFFAOYSA-N -1 0 322.277 -0.120 20 0 DBADRM CON(C)C1CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001591466073 1016536943 /nfs/dbraw/zinc/53/69/43/1016536943.db2.gz ULZCWPPAESYNGG-UHFFFAOYSA-N -1 0 304.310 -0.110 20 0 DBADRM CO[C@H]1C[C@H](CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001591474921 1016539072 /nfs/dbraw/zinc/53/90/72/1016539072.db2.gz QFLRUURLSIPAKD-CIUDSAMLSA-N -1 0 306.330 -0.440 20 0 DBADRM NC(=O)N1CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001433632354 1001918121 /nfs/dbraw/zinc/91/81/21/1001918121.db2.gz FBWNUBSAJADMAY-UHFFFAOYSA-N -1 0 312.330 -0.918 20 0 DBADRM Cc1ccc(S(=O)(=O)CCC(=O)NCc2nnn[n-]2)cc1 ZINC001433657602 1001924823 /nfs/dbraw/zinc/92/48/23/1001924823.db2.gz CUAADJZPEABBQW-UHFFFAOYSA-N -1 0 309.351 -0.012 20 0 DBADRM CCc1nc(CN2CCN(C(=O)CCc3nnn[n-]3)CC2)no1 ZINC001433661969 1001929186 /nfs/dbraw/zinc/92/91/86/1001929186.db2.gz CLRBZHNKMOXAIY-UHFFFAOYSA-N -1 0 320.357 -0.578 20 0 DBADRM COc1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)ccn1 ZINC001591541073 1016548833 /nfs/dbraw/zinc/54/88/33/1016548833.db2.gz GDWWHKALOGCTMT-UHFFFAOYSA-N -1 0 301.270 -0.500 20 0 DBADRM O=C(CCCc1nnn[n-]1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001433667731 1001941079 /nfs/dbraw/zinc/94/10/79/1001941079.db2.gz BNAHFTAZKXDJMD-SNVBAGLBSA-N -1 0 313.383 -0.300 20 0 DBADRM CN(C)C(=O)C1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCCC1 ZINC001433693471 1001969829 /nfs/dbraw/zinc/96/98/29/1001969829.db2.gz IVMSLFZITOKNJG-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM O=C(NC1CC1)[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001433699157 1001977631 /nfs/dbraw/zinc/97/76/31/1001977631.db2.gz MQRRAXKTOGNTNZ-ZETCQYMHSA-N -1 0 307.310 -0.586 20 0 DBADRM CC(C)N1C[C@H](NC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CC1=O ZINC001591610959 1016552336 /nfs/dbraw/zinc/55/23/36/1016552336.db2.gz ULNQXBYKLDRDKK-AXFHLTTASA-N -1 0 313.354 -0.121 20 0 DBADRM Cn1ccc(=O)c(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1 ZINC001413771985 1002000817 /nfs/dbraw/zinc/00/08/17/1002000817.db2.gz WMSXOPPILLJXOH-JTQLQIEISA-N -1 0 315.333 -0.110 20 0 DBADRM C[C@](O)(CNC(=O)c1cccc(-n2[n-]nnc2=N)c1)C1CC1 ZINC001433731676 1002001909 /nfs/dbraw/zinc/00/19/09/1002001909.db2.gz BSWSENDQDKOHAL-AWEZNQCLSA-N -1 0 302.338 -0.034 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1=O ZINC001591610962 1016553464 /nfs/dbraw/zinc/55/34/64/1016553464.db2.gz ULNQXBYKLDRDKK-VWYCJHECSA-N -1 0 313.354 -0.121 20 0 DBADRM CC(C)N(CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1cn[nH]n1 ZINC001591591318 1016554070 /nfs/dbraw/zinc/55/40/70/1016554070.db2.gz STHMBODDPPEKDR-NXEZZACHSA-N -1 0 323.353 -0.166 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)Cn2ccnc2)c1[O-] ZINC001433751806 1002011467 /nfs/dbraw/zinc/01/14/67/1002011467.db2.gz FLBOSJPBKIOMSO-JTQLQIEISA-N -1 0 318.337 -0.349 20 0 DBADRM CC(C)N(C[C@@H](O)CO)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001591573677 1016554595 /nfs/dbraw/zinc/55/45/95/1016554595.db2.gz PELSMGWWKKCTGY-SNVBAGLBSA-N -1 0 309.384 -0.365 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCCC[C@H]1CCn1ccnn1 ZINC001413788543 1002011905 /nfs/dbraw/zinc/01/19/05/1002011905.db2.gz JRFWGINOCOJSHP-VIFPVBQESA-N -1 0 319.325 -0.041 20 0 DBADRM CC(C)N1CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1=O ZINC001591630219 1016555644 /nfs/dbraw/zinc/55/56/44/1016555644.db2.gz QIFYYQISECFBTB-ZYHUDNBSSA-N -1 0 313.354 -0.262 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001591641174 1016555714 /nfs/dbraw/zinc/55/57/14/1016555714.db2.gz LIISQEUFEQHNCT-ZETOZRRWSA-N -1 0 311.382 -0.188 20 0 DBADRM CC(C)N1CCC[C@@H](N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1=O ZINC001591624562 1016555914 /nfs/dbraw/zinc/55/59/14/1016555914.db2.gz PQQUFFLYNZPFAZ-MNOVXSKESA-N -1 0 318.395 -0.431 20 0 DBADRM CC(C)NC(=O)CCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001591639738 1016556221 /nfs/dbraw/zinc/55/62/21/1016556221.db2.gz LVPOCYDMEJIQRI-SNVBAGLBSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)N1CCC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001591624596 1016556515 /nfs/dbraw/zinc/55/65/15/1016556515.db2.gz QQHOGSFFJUGSSO-MNOVXSKESA-N -1 0 318.395 -0.431 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N[C@H](C(=O)[O-])c1cccnc1 ZINC001591641358 1016556686 /nfs/dbraw/zinc/55/66/86/1016556686.db2.gz WTXIHZCPBHXPTG-AWEZNQCLSA-N -1 0 322.365 -0.220 20 0 DBADRM CCCCC(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433779149 1002026080 /nfs/dbraw/zinc/02/60/80/1002026080.db2.gz QKABUJRGCBLZFX-MRVPVSSYSA-N -1 0 309.326 -0.196 20 0 DBADRM CC(C)N1CCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001591629694 1016556947 /nfs/dbraw/zinc/55/69/47/1016556947.db2.gz QGHYXRCJJFTHMY-TXEJJXNPSA-N -1 0 311.382 -0.139 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)CCCn2c(=O)[n-][nH]c2=O)O1 ZINC001433782030 1002027618 /nfs/dbraw/zinc/02/76/18/1002027618.db2.gz WKLXPFYOKYBAIX-MRVPVSSYSA-N -1 0 300.315 -0.263 20 0 DBADRM O=C(NC[C@@H](O)C1CC1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001433783108 1002027701 /nfs/dbraw/zinc/02/77/01/1002027701.db2.gz PJHKBTPGISIEEH-LLVKDONJSA-N -1 0 304.306 -0.233 20 0 DBADRM CC(C)NC(=O)CCCC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001591639649 1016557274 /nfs/dbraw/zinc/55/72/74/1016557274.db2.gz GLWHPMRFPXUVDE-UHFFFAOYSA-N -1 0 311.342 -0.213 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)C(=O)NCCCCC(=O)[O-])C1=O ZINC001591617156 1016557322 /nfs/dbraw/zinc/55/73/22/1016557322.db2.gz XXTJVVWQBJEZRR-JTQLQIEISA-N -1 0 313.354 -0.517 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC001591641257 1016557338 /nfs/dbraw/zinc/55/73/38/1016557338.db2.gz OPIIYDQIJYQJBI-VIFPVBQESA-N -1 0 321.324 -0.236 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(c2nccnc2C(=O)[O-])CC1 ZINC001591635773 1016557589 /nfs/dbraw/zinc/55/75/89/1016557589.db2.gz QLZCSBBEBPKGRV-UHFFFAOYSA-N -1 0 321.337 -0.652 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1NC(=O)C[C@H]1c1ccccc1 ZINC001413829882 1002031006 /nfs/dbraw/zinc/03/10/06/1002031006.db2.gz RFRGZMBRFQSWFO-QMMMGPOBSA-N -1 0 301.262 -0.099 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)OCc1cnc(C(=O)[O-])cn1 ZINC001591641388 1016557800 /nfs/dbraw/zinc/55/78/00/1016557800.db2.gz YDVYGIRJWUUHLL-UHFFFAOYSA-N -1 0 324.337 -0.326 20 0 DBADRM CC(C)N1CC[C@H](N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1=O ZINC001591617058 1016558034 /nfs/dbraw/zinc/55/80/34/1016558034.db2.gz VGSLBRMCFPMCTI-MNOVXSKESA-N -1 0 318.395 -0.431 20 0 DBADRM Cn1ccnc1COCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001413849473 1002038321 /nfs/dbraw/zinc/03/83/21/1002038321.db2.gz IAMFSDKPZFTEHR-UHFFFAOYSA-N -1 0 314.327 -0.903 20 0 DBADRM COC1(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CCOCC1 ZINC001413850424 1002041889 /nfs/dbraw/zinc/04/18/89/1002041889.db2.gz KRWPXVRXXWFEBU-UHFFFAOYSA-N -1 0 304.328 -0.658 20 0 DBADRM CCC1(C(=O)NC[C@H]2CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001433812375 1002042539 /nfs/dbraw/zinc/04/25/39/1002042539.db2.gz UXRUIFFDNDFKTQ-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM COC(=O)[C@@H](COC(C)C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001433811039 1002042765 /nfs/dbraw/zinc/04/27/65/1002042765.db2.gz QFWSIUNNHAYPMG-MRVPVSSYSA-N -1 0 316.314 -0.886 20 0 DBADRM CC(=O)N1CC[C@@H](CN(C)C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001433813926 1002045115 /nfs/dbraw/zinc/04/51/15/1002045115.db2.gz HSBLSWALUWPNPK-VIFPVBQESA-N -1 0 313.383 -0.071 20 0 DBADRM COC(=O)c1c(NC(=O)C2=COCCO2)n[n-]c1OCCO ZINC001413862044 1002046233 /nfs/dbraw/zinc/04/62/33/1002046233.db2.gz CKOWMYJFVFMUSA-UHFFFAOYSA-N -1 0 313.266 -0.606 20 0 DBADRM CC(C)NC(=O)[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001591656953 1016559968 /nfs/dbraw/zinc/55/99/68/1016559968.db2.gz FUJOQLCXJMSSNZ-SNVBAGLBSA-N -1 0 323.353 -0.261 20 0 DBADRM CC(C)NC(=O)CN1CCC2(CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)C1 ZINC001591645172 1016560175 /nfs/dbraw/zinc/56/01/75/1016560175.db2.gz NZDYANBQNNVCHO-VXGBXAGGSA-N -1 0 323.393 -0.234 20 0 DBADRM Cn1cc(CNC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)nn1 ZINC001413886049 1002053610 /nfs/dbraw/zinc/05/36/10/1002053610.db2.gz QCCUFLHPAMPFIQ-MRVPVSSYSA-N -1 0 306.330 -0.272 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001433830118 1002056431 /nfs/dbraw/zinc/05/64/31/1002056431.db2.gz MHDLLESPDPVRLR-BDAKNGLRSA-N -1 0 320.349 -0.480 20 0 DBADRM CC(C)NC(=O)OC1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001591655498 1016561488 /nfs/dbraw/zinc/56/14/88/1016561488.db2.gz KDAYOMHEIWSRHU-UHFFFAOYSA-N -1 0 311.298 -0.678 20 0 DBADRM CC(C)NC(=O)NCCN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001591652611 1016561571 /nfs/dbraw/zinc/56/15/71/1016561571.db2.gz MNFOEHYRLVPFEU-SNVBAGLBSA-N -1 0 321.399 -0.732 20 0 DBADRM CC(C)NS(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001591666829 1016564687 /nfs/dbraw/zinc/56/46/87/1016564687.db2.gz QCXXYBACBOQLDB-SECBINFHSA-N -1 0 317.371 -0.144 20 0 DBADRM COc1nscc1Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001591670797 1016565433 /nfs/dbraw/zinc/56/54/33/1016565433.db2.gz IXOHNRZBMUOFPQ-UHFFFAOYSA-N -1 0 307.295 -0.358 20 0 DBADRM COC(=O)CCN1CCN(C(=O)CCc2nnn[n-]2)[C@H](C)C1 ZINC001433861320 1002079051 /nfs/dbraw/zinc/07/90/51/1002079051.db2.gz ZINOJDYXCRBZOC-SNVBAGLBSA-N -1 0 310.358 -0.772 20 0 DBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@H](CF)C(=O)[O-])c1 ZINC001591666392 1016566200 /nfs/dbraw/zinc/56/62/00/1016566200.db2.gz BOXYPDZBLLVMRL-SECBINFHSA-N -1 0 321.330 -0.146 20 0 DBADRM CS(=O)(=O)C1(CNc2ccnc(-c3nnn[n-]3)n2)CCC1 ZINC001591672426 1016566215 /nfs/dbraw/zinc/56/62/15/1016566215.db2.gz YKQIHMXGRXDWCU-UHFFFAOYSA-N -1 0 309.355 -0.542 20 0 DBADRM Cc1cc(C)n(CC(=O)N(C)C[C@@H](C)c2nnn[n-]2)c(=O)n1 ZINC001433891058 1002097604 /nfs/dbraw/zinc/09/76/04/1002097604.db2.gz NOSWJMKYSGYHFF-MRVPVSSYSA-N -1 0 305.342 -0.365 20 0 DBADRM Cc1cc(C)n(CC(=O)N(C)C[C@H](C)c2nnn[n-]2)c(=O)n1 ZINC001433891060 1002097727 /nfs/dbraw/zinc/09/77/27/1002097727.db2.gz NOSWJMKYSGYHFF-QMMMGPOBSA-N -1 0 305.342 -0.365 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)Oc1cccnc1-c1nnn[n-]1 ZINC001591685148 1016574864 /nfs/dbraw/zinc/57/48/64/1016574864.db2.gz KXCSVAGEEXNHLU-UHFFFAOYSA-N -1 0 318.340 -0.387 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001591676010 1016570235 /nfs/dbraw/zinc/57/02/35/1016570235.db2.gz PDEBMIDYIVGDJW-VHSXEESVSA-N -1 0 314.338 -0.234 20 0 DBADRM CCC(=O)NC1(CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001433924289 1002117832 /nfs/dbraw/zinc/11/78/32/1002117832.db2.gz DKLBOVWEVQWQIG-UHFFFAOYSA-N -1 0 309.326 -0.610 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N2CCSC[C@@H]2c2nnn[n-]2)cn1 ZINC001433926986 1002118437 /nfs/dbraw/zinc/11/84/37/1002118437.db2.gz WIENONDQLGXUAY-RKDXNWHRSA-N -1 0 309.355 -0.717 20 0 DBADRM C[C@H](C(=O)N1CCSC[C@H]1c1nnn[n-]1)[C@H]1CCC(=O)N1 ZINC001433927549 1002119380 /nfs/dbraw/zinc/11/93/80/1002119380.db2.gz ZEWSOISXAIPGFO-YIZRAAEISA-N -1 0 310.383 -0.269 20 0 DBADRM C[C@H](C(=O)N1CCSC[C@H]1c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001433927540 1002119941 /nfs/dbraw/zinc/11/99/41/1002119941.db2.gz ZEWSOISXAIPGFO-CIUDSAMLSA-N -1 0 310.383 -0.269 20 0 DBADRM CS(=O)(=O)c1ccc(Cn2cc(-c3nnn[n-]3)nn2)cc1 ZINC001591680996 1016573356 /nfs/dbraw/zinc/57/33/56/1016573356.db2.gz OFELSVKMEXWYNG-UHFFFAOYSA-N -1 0 305.323 -0.090 20 0 DBADRM CC(C)OC1CN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001591702349 1016577096 /nfs/dbraw/zinc/57/70/96/1016577096.db2.gz ZUAJQTHSTNAJPE-UHFFFAOYSA-N -1 0 301.343 -0.214 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001591705158 1016578692 /nfs/dbraw/zinc/57/86/92/1016578692.db2.gz PDBSHHBLAHIACQ-ZJUUUORDSA-N -1 0 322.383 -0.643 20 0 DBADRM CC(C)OCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001591726564 1016579582 /nfs/dbraw/zinc/57/95/82/1016579582.db2.gz FUCRUUZAVYHDES-JTQLQIEISA-N -1 0 322.383 -0.594 20 0 DBADRM C[C@]12CN(Cc3cc(=O)n4[n-]ccc4n3)C[C@H]1CS(=O)(=O)C2 ZINC001414058305 1002178013 /nfs/dbraw/zinc/17/80/13/1002178013.db2.gz WVCKTLKVVBFILV-IINYFYTJSA-N -1 0 322.390 -0.111 20 0 DBADRM CC(C)OCCONC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001591726551 1016580770 /nfs/dbraw/zinc/58/07/70/1016580770.db2.gz DTGVTUHPMJBEFB-IUCAKERBSA-N -1 0 305.331 -0.380 20 0 DBADRM O=C(NC1(CCO)CC1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001434040843 1002187436 /nfs/dbraw/zinc/18/74/36/1002187436.db2.gz GWPWTQQSWKOYJS-UHFFFAOYSA-N -1 0 304.306 -0.089 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001434043575 1002190015 /nfs/dbraw/zinc/19/00/15/1002190015.db2.gz SPIXGZNSNBEMEI-IMJSIDKUSA-N -1 0 309.204 -0.926 20 0 DBADRM Cc1nc(C)c(CC(=O)NC[C@@H](O)Cn2ccnn2)c(=O)[nH]1 ZINC001434054744 1002201855 /nfs/dbraw/zinc/20/18/55/1002201855.db2.gz HFWQZXBVNUNCPX-SNVBAGLBSA-N -1 0 306.326 -0.890 20 0 DBADRM CN(C[C@H]1CCN1C(=O)CC1CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001414140930 1002218898 /nfs/dbraw/zinc/21/88/98/1002218898.db2.gz LHJNBVLFHPQABK-SNVBAGLBSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@H]1CN(CCO)CCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001434078699 1002233782 /nfs/dbraw/zinc/23/37/82/1002233782.db2.gz VGMIYBUZUSWXGO-JTQLQIEISA-N -1 0 305.338 -0.839 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001591820417 1016595644 /nfs/dbraw/zinc/59/56/44/1016595644.db2.gz HWEFQPXPNSBDQB-LLVKDONJSA-N -1 0 307.368 -0.506 20 0 DBADRM Cc1nnc(N2CCN(C(=O)CCCc3nnn[n-]3)CC2)n1C ZINC001434140216 1002283092 /nfs/dbraw/zinc/28/30/92/1002283092.db2.gz DQWGNEZULPLCFG-UHFFFAOYSA-N -1 0 319.373 -0.692 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ncc[n-]1 ZINC001414252901 1002285460 /nfs/dbraw/zinc/28/54/60/1002285460.db2.gz XPGBWVWTLMIRGU-DTWKUNHWSA-N -1 0 322.412 -0.594 20 0 DBADRM CC(C)Oc1cncc(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001591810096 1016597537 /nfs/dbraw/zinc/59/75/37/1016597537.db2.gz RERLFXLDYXCJTQ-UHFFFAOYSA-N -1 0 316.335 -0.311 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001591820637 1016599227 /nfs/dbraw/zinc/59/92/27/1016599227.db2.gz OANHAWUEBMWXGH-LBPRGKRZSA-N -1 0 317.367 -0.334 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H]1COCO1 ZINC001414284311 1002305993 /nfs/dbraw/zinc/30/59/93/1002305993.db2.gz SPLFJLNYYVZJPR-ZCFIWIBFSA-N -1 0 308.337 -0.419 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NN1CCCNC1=O ZINC001591835557 1016600524 /nfs/dbraw/zinc/60/05/24/1016600524.db2.gz LFBOKFFZAOFACL-UHFFFAOYSA-N -1 0 318.297 -0.664 20 0 DBADRM CCC(=O)N1CC[C@](C)(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001434180388 1002307572 /nfs/dbraw/zinc/30/75/72/1002307572.db2.gz PHOBJQQSQDTXRX-AWEZNQCLSA-N -1 0 323.353 -0.267 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N(C)CCOCCO ZINC001591835443 1016600686 /nfs/dbraw/zinc/60/06/86/1016600686.db2.gz ZLJRMWHJTHUZJR-UHFFFAOYSA-N -1 0 322.325 -0.643 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC001591835217 1016600988 /nfs/dbraw/zinc/60/09/88/1016600988.db2.gz OYOYHJQTCKIOAM-APPZFPTMSA-N -1 0 304.310 -0.271 20 0 DBADRM CN1CCc2c(NC(=O)Cn3c(=O)[n-][nH]c3=O)cccc2C1=O ZINC001434189806 1002313342 /nfs/dbraw/zinc/31/33/42/1002313342.db2.gz RPMPYOWVMRKLPN-UHFFFAOYSA-N -1 0 317.305 -0.044 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)Nc1cn(C)nn1 ZINC001591836188 1016601971 /nfs/dbraw/zinc/60/19/71/1016601971.db2.gz FDIYLOFQBYHSIL-UHFFFAOYSA-N -1 0 301.270 -0.343 20 0 DBADRM Cc1ccnc(CNS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)n1 ZINC001414310679 1002318081 /nfs/dbraw/zinc/31/80/81/1002318081.db2.gz PGMQSWPTXZKEDS-UHFFFAOYSA-N -1 0 311.323 -0.937 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@H](CO)CCF ZINC001591834707 1016602140 /nfs/dbraw/zinc/60/21/40/1016602140.db2.gz OHFCZYDTCDDJEO-ZETCQYMHSA-N -1 0 310.289 -0.274 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H]1CCN(C(C)=O)C1 ZINC001414312223 1002321345 /nfs/dbraw/zinc/32/13/45/1002321345.db2.gz YWINBVVJSMGKRH-SECBINFHSA-N -1 0 316.335 -0.035 20 0 DBADRM CC(F)(F)CCS(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001414321847 1002322494 /nfs/dbraw/zinc/32/24/94/1002322494.db2.gz HZVYBZOAXGSZQC-RNFRBKRXSA-N -1 0 307.340 -0.891 20 0 DBADRM O=c1[nH]c(=O)n(C2CC2)cc1CNS(=O)(=O)c1ncc[n-]1 ZINC001414322865 1002325467 /nfs/dbraw/zinc/32/54/67/1002325467.db2.gz HKGZBAYMGUZZRN-UHFFFAOYSA-N -1 0 311.323 -0.515 20 0 DBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]c2nnn(C)n2)CC1 ZINC001414327375 1002328468 /nfs/dbraw/zinc/32/84/68/1002328468.db2.gz FCWAPCCGQNYEFH-UHFFFAOYSA-N -1 0 318.359 -0.427 20 0 DBADRM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2nnn(C)n2)c1 ZINC001414333509 1002330937 /nfs/dbraw/zinc/33/09/37/1002330937.db2.gz XKGWFAKJCWSKIY-UHFFFAOYSA-N -1 0 315.286 -0.063 20 0 DBADRM CN(C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)c1nnn[n-]1 ZINC001434232122 1002334528 /nfs/dbraw/zinc/33/45/28/1002334528.db2.gz POQZMDZZDATKRD-UHFFFAOYSA-N -1 0 316.730 -0.223 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCSC[C@H]1C(N)=O)C(=O)[O-] ZINC001591870528 1016604550 /nfs/dbraw/zinc/60/45/50/1016604550.db2.gz MNHDQKOQLCJMRQ-WPRPVWTQSA-N -1 0 303.384 -0.886 20 0 DBADRM CC(C)n1nnc([N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)n1 ZINC001414344212 1002336177 /nfs/dbraw/zinc/33/61/77/1002336177.db2.gz XSJJXFAUTHOPLI-VIFPVBQESA-N -1 0 304.376 -0.674 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCO[C@@H](C(=O)C2CC2)C1)C(=O)[O-] ZINC001591870602 1016604987 /nfs/dbraw/zinc/60/49/87/1016604987.db2.gz NZOUAXIUIJXOSE-YPMHNXCESA-N -1 0 312.366 -0.108 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H](CO)c1ncc[nH]1 ZINC001414350523 1002338725 /nfs/dbraw/zinc/33/87/25/1002338725.db2.gz ABHMBCXWGMCUFL-MRVPVSSYSA-N -1 0 315.307 -0.199 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCSC[C@@H]1C(N)=O)C(=O)[O-] ZINC001591870527 1016605337 /nfs/dbraw/zinc/60/53/37/1016605337.db2.gz MNHDQKOQLCJMRQ-SCZZXKLOSA-N -1 0 303.384 -0.886 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC[C@@H]2COC(=O)N[C@H]2C1)C(=O)[O-] ZINC001591870048 1016605671 /nfs/dbraw/zinc/60/56/71/1016605671.db2.gz GWFQSMPVXUJXBI-SCVCMEIPSA-N -1 0 313.354 -0.358 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1 ZINC001434274072 1002352550 /nfs/dbraw/zinc/35/25/50/1002352550.db2.gz JDJCACPOBPQLTP-LLVKDONJSA-N -1 0 316.321 -0.227 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@H](CO)[C@@H](O)c1ccccn1 ZINC001434274937 1002353559 /nfs/dbraw/zinc/35/35/59/1002353559.db2.gz GJGTXRPQCZKFLV-MFKMUULPSA-N -1 0 306.326 -0.872 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)CCc1cn(C)nn1)C(=O)[O-] ZINC001591878786 1016608049 /nfs/dbraw/zinc/60/80/49/1016608049.db2.gz NWKWVFLALBKDGY-LBPRGKRZSA-N -1 0 312.326 -0.484 20 0 DBADRM Cn1cc(C(=O)N2CCC(c3nnn[n-]3)CC2)c(=O)[nH]c1=O ZINC001434299223 1002363300 /nfs/dbraw/zinc/36/33/00/1002363300.db2.gz GBZWTCGWQMZCEJ-UHFFFAOYSA-N -1 0 305.298 -0.981 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001434302251 1002365998 /nfs/dbraw/zinc/36/59/98/1002365998.db2.gz SGXLCGCHFAJWCG-LDYMZIIASA-N -1 0 322.369 -0.819 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCC(S(N)(=O)=O)CC2)n1 ZINC001591887092 1016611208 /nfs/dbraw/zinc/61/12/08/1016611208.db2.gz ZNCGCUSKBVYKHT-UHFFFAOYSA-N -1 0 324.370 -0.778 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2C[C@H](CO)OC(C)(C)C2)n1 ZINC001591883812 1016611290 /nfs/dbraw/zinc/61/12/90/1016611290.db2.gz IFWHZNAXSVQWRQ-SECBINFHSA-N -1 0 305.342 -0.059 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCN3C(=O)OCC[C@@H]3C2)n1 ZINC001591889183 1016611732 /nfs/dbraw/zinc/61/17/32/1016611732.db2.gz ZPOMOVAJPMDBFS-SECBINFHSA-N -1 0 316.325 -0.004 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N(C)CC2(O)CCOCC2)n1 ZINC001591883288 1016611939 /nfs/dbraw/zinc/61/19/39/1016611939.db2.gz HSXIPHKMTGYTOL-UHFFFAOYSA-N -1 0 305.342 -0.057 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCC[C@@H](S(N)(=O)=O)C2)n1 ZINC001591887684 1016611951 /nfs/dbraw/zinc/61/19/51/1016611951.db2.gz FJIBLVLXEBRESZ-MRVPVSSYSA-N -1 0 324.370 -0.778 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NCC2(S(N)(=O)=O)CCC2)n1 ZINC001591895084 1016612320 /nfs/dbraw/zinc/61/23/20/1016612320.db2.gz PXQQRICBPBPNRI-UHFFFAOYSA-N -1 0 324.370 -0.412 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCC[C@H](CNC(N)=O)C2)n1 ZINC001591889192 1016612818 /nfs/dbraw/zinc/61/28/18/1016612818.db2.gz MBWOTTQYGULQMP-SECBINFHSA-N -1 0 317.357 -0.150 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCC(Cc3nn[nH]n3)CC2)nn1 ZINC001434344681 1002401001 /nfs/dbraw/zinc/40/10/01/1002401001.db2.gz HXSNGKCVMZCBCI-VIFPVBQESA-N -1 0 320.357 -0.674 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001425769511 1002401306 /nfs/dbraw/zinc/40/13/06/1002401306.db2.gz WPBRQVQBCQPZSI-UHFFFAOYSA-N -1 0 324.389 -0.228 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001425769330 1002402761 /nfs/dbraw/zinc/40/27/61/1002402761.db2.gz VLYWMGWZDCILFV-VXGBXAGGSA-N -1 0 318.337 -0.229 20 0 DBADRM CN(CC(C)(C)S(C)(=O)=O)C(=O)CCCc1nnn[n-]1 ZINC001434349840 1002406591 /nfs/dbraw/zinc/40/65/91/1002406591.db2.gz LXGFVBIGBUOODX-UHFFFAOYSA-N -1 0 303.388 -0.196 20 0 DBADRM COC[C@@H](NC(=O)Cc1ccc([S@](C)=O)cc1)c1nnn[n-]1 ZINC001434364209 1002416768 /nfs/dbraw/zinc/41/67/68/1002416768.db2.gz QGFVNRRBCRKDHZ-XFNZEKPQSA-N -1 0 323.378 -0.017 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@H](O)c1cncs1 ZINC001434364386 1002416997 /nfs/dbraw/zinc/41/69/97/1002416997.db2.gz FVHNXRWURORALS-YFKPBYRVSA-N -1 0 301.353 -0.091 20 0 DBADRM COC[C@H](NC(=O)Cc1ccc([S@](C)=O)cc1)c1nnn[n-]1 ZINC001434364208 1002417553 /nfs/dbraw/zinc/41/75/53/1002417553.db2.gz QGFVNRRBCRKDHZ-SAHAZLINSA-N -1 0 323.378 -0.017 20 0 DBADRM O=C(NC[C@H]1COCCO1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001414542120 1002421761 /nfs/dbraw/zinc/42/17/61/1002421761.db2.gz KNEAXEJTQZKCFJ-ZJUUUORDSA-N -1 0 311.342 -0.185 20 0 DBADRM C[C@H]1CS(=O)(=O)CCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001434377645 1002430455 /nfs/dbraw/zinc/43/04/55/1002430455.db2.gz GLYBYOUMLIHVHL-VIFPVBQESA-N -1 0 324.362 -0.328 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCC2(CCOCC2)O1 ZINC001434401323 1002449334 /nfs/dbraw/zinc/44/93/34/1002449334.db2.gz XZGUUWTWPYJLQT-SECBINFHSA-N -1 0 312.326 -0.466 20 0 DBADRM Nc1c[nH]nc1[C@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001434416286 1002460203 /nfs/dbraw/zinc/46/02/03/1002460203.db2.gz TUNVYLQEKNFZHA-LURJTMIESA-N -1 0 309.355 -0.076 20 0 DBADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1C[C@H](CO)[C@H](CCO)C1 ZINC001434423158 1002464963 /nfs/dbraw/zinc/46/49/63/1002464963.db2.gz VJKZOEMTNHKSOR-RKDXNWHRSA-N -1 0 307.306 -0.009 20 0 DBADRM Cn1nnc(CNC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC001414626757 1002466648 /nfs/dbraw/zinc/46/66/48/1002466648.db2.gz QKWUITZAMPMZBP-ZETCQYMHSA-N -1 0 307.318 -0.877 20 0 DBADRM Cn1nncc1CNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001414649837 1002479677 /nfs/dbraw/zinc/47/96/77/1002479677.db2.gz KACAUHIAWVDXLA-QMMMGPOBSA-N -1 0 306.330 -0.272 20 0 DBADRM CC(C)c1noc(CCNC(=O)Cn2cc(C(=O)[O-])nn2)n1 ZINC001592095010 1016627049 /nfs/dbraw/zinc/62/70/49/1016627049.db2.gz AYQZVDNREXVKBJ-UHFFFAOYSA-N -1 0 308.298 -0.158 20 0 DBADRM CC(C)n1ncc(C(=O)NCCC(=O)NCCC(=O)[O-])c1N ZINC001592153939 1016630404 /nfs/dbraw/zinc/63/04/04/1016630404.db2.gz YXLBPZCDKCAEPE-UHFFFAOYSA-N -1 0 311.342 -0.243 20 0 DBADRM CC(C)n1cc(CN2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001592126929 1016630846 /nfs/dbraw/zinc/63/08/46/1016630846.db2.gz PCNRFCNJDWWXGG-NWDGAFQWSA-N -1 0 307.354 -0.120 20 0 DBADRM CC(C)n1cc(CN2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001592126931 1016632323 /nfs/dbraw/zinc/63/23/23/1016632323.db2.gz PCNRFCNJDWWXGG-VXGBXAGGSA-N -1 0 307.354 -0.120 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CC(=O)NC1CC1 ZINC001434547269 1002516920 /nfs/dbraw/zinc/51/69/20/1002516920.db2.gz HGIMKBBXFMLMSR-UHFFFAOYSA-N -1 0 302.308 -0.377 20 0 DBADRM CC(C)n1nnnc1N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001592171474 1016633164 /nfs/dbraw/zinc/63/31/64/1016633164.db2.gz GZWLVCXDUVDBLB-CYBMUJFWSA-N -1 0 310.358 -0.380 20 0 DBADRM C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)C(N)=O ZINC001434561583 1002527723 /nfs/dbraw/zinc/52/77/23/1002527723.db2.gz YMUNWVLFFZVJDS-CVJBHZAOSA-N -1 0 305.381 -0.149 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](CO)c1cnn(C)c1 ZINC001434560923 1002528070 /nfs/dbraw/zinc/52/80/70/1002528070.db2.gz NCVOZMQQPHOUNM-SNVBAGLBSA-N -1 0 324.428 -0.204 20 0 DBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001592178465 1016634012 /nfs/dbraw/zinc/63/40/12/1016634012.db2.gz MOFVDCKSEMOZIF-WPRPVWTQSA-N -1 0 322.383 -0.233 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)CNS(=O)(=O)c1cccnc1 ZINC001592203416 1016634397 /nfs/dbraw/zinc/63/43/97/1016634397.db2.gz ZNZFIQICRJBJTH-MOVJSRMASA-N -1 0 313.335 -0.495 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC001592190940 1016634465 /nfs/dbraw/zinc/63/44/65/1016634465.db2.gz HHHXJQOLIOCPFQ-UFUPEUMYSA-N -1 0 316.339 -0.934 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)CCNC(=O)CO)c1ccccn1 ZINC001592283334 1016640928 /nfs/dbraw/zinc/64/09/28/1016640928.db2.gz ZXVHNGFZWYUNSN-CQSZACIVSA-N -1 0 309.322 -0.614 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H](C)OC2=O)n[nH]1 ZINC001434571416 1002535915 /nfs/dbraw/zinc/53/59/15/1002535915.db2.gz FWKLSFGCGYQSSD-FSPLSTOPSA-N -1 0 303.296 -0.821 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NS(=O)(=O)c1cnn2c1OCCC2 ZINC001592212429 1016635295 /nfs/dbraw/zinc/63/52/95/1016635295.db2.gz RNJMJNPTVVWVGU-VEMNSZJBSA-N -1 0 301.324 -0.027 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@H]1CCCS1(=O)=O ZINC001434568694 1002536210 /nfs/dbraw/zinc/53/62/10/1002536210.db2.gz OEHUVGSYAWSBMO-SSDOTTSWSA-N -1 0 304.415 -0.874 20 0 DBADRM CCNC(=O)C(C)(C)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001434574465 1002537077 /nfs/dbraw/zinc/53/70/77/1002537077.db2.gz ROHLVDFIDKBJOI-UHFFFAOYSA-N -1 0 311.429 -0.003 20 0 DBADRM COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)C[C@@H]1CC2(CCC2)CO1 ZINC001434576088 1002539323 /nfs/dbraw/zinc/53/93/23/1002539323.db2.gz AOLPERHWGAJNPX-CMPLNLGQSA-N -1 0 321.395 -0.211 20 0 DBADRM Cc1ccc(O)cc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592185984 1016635773 /nfs/dbraw/zinc/63/57/73/1016635773.db2.gz DHCLQKVDPQHBMH-UHFFFAOYSA-N -1 0 314.309 -0.098 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC001592220698 1016637752 /nfs/dbraw/zinc/63/77/52/1016637752.db2.gz ZUQXINWYSKDWRY-AIYRYJHASA-N -1 0 303.278 -0.413 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCO[C@@H](C)C1)[C@@H](C)O ZINC001434617030 1002556448 /nfs/dbraw/zinc/55/64/48/1002556448.db2.gz VISFEXDPFTVELX-VLEAKVRGSA-N -1 0 309.384 -0.357 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCO[C@H](C)C1)[C@@H](C)O ZINC001434617035 1002557172 /nfs/dbraw/zinc/55/71/72/1002557172.db2.gz VISFEXDPFTVELX-ZNSHCXBVSA-N -1 0 309.384 -0.357 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCO[C@H](C)C1)[C@@H](C)O ZINC001434617028 1002557379 /nfs/dbraw/zinc/55/73/79/1002557379.db2.gz VISFEXDPFTVELX-DBIOUOCHSA-N -1 0 309.384 -0.357 20 0 DBADRM Cc1ccn(CN(C)[C@@H]2CCN(C)C2=O)c(=O)c1-c1nnn[n-]1 ZINC001592265632 1016641042 /nfs/dbraw/zinc/64/10/42/1016641042.db2.gz DIGGAZZGVIHJRN-SNVBAGLBSA-N -1 0 317.353 -0.543 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)CCNC(=O)CO)c1ccncc1 ZINC001592282667 1016641078 /nfs/dbraw/zinc/64/10/78/1016641078.db2.gz NBOVHOFZFFHHRV-AWEZNQCLSA-N -1 0 309.322 -0.614 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)CCNC(=O)CO)c1ccccn1 ZINC001592283333 1016641322 /nfs/dbraw/zinc/64/13/22/1016641322.db2.gz ZXVHNGFZWYUNSN-AWEZNQCLSA-N -1 0 309.322 -0.614 20 0 DBADRM Cc1c[nH]c(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1 ZINC001592293736 1016641500 /nfs/dbraw/zinc/64/15/00/1016641500.db2.gz KJGBNSUWYIQQCY-UHFFFAOYSA-N -1 0 303.286 -0.961 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](c1nccn1C)C(C)(C)CO ZINC001434730481 1002579997 /nfs/dbraw/zinc/57/99/97/1002579997.db2.gz VWUNVMUFSDEOQW-VIFPVBQESA-N -1 0 322.373 -0.270 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N([C@H](C)CS(C)(=O)=O)C1CC1 ZINC001434729279 1002580681 /nfs/dbraw/zinc/58/06/81/1002580681.db2.gz BNZRBZDOWUIPFG-MRVPVSSYSA-N -1 0 316.387 -0.456 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccccn1 ZINC001592298315 1016642659 /nfs/dbraw/zinc/64/26/59/1016642659.db2.gz YFEOOTUOYYWZBL-RMLUDKJBSA-N -1 0 320.305 -0.514 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)[C@@H]1CC(=O)NC(=O)N1)c1cccnc1 ZINC001592296788 1016643100 /nfs/dbraw/zinc/64/31/00/1016643100.db2.gz AEZLFSINXXDBEN-LKFCYVNXSA-N -1 0 320.305 -0.514 20 0 DBADRM COCC1(CC(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)C2)CC1 ZINC001414930552 1002595615 /nfs/dbraw/zinc/59/56/15/1002595615.db2.gz SEURZZVKBPKKLP-JTQLQIEISA-N -1 0 307.354 -0.048 20 0 DBADRM Cc1n[nH]cc1CN(C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001592331949 1016648203 /nfs/dbraw/zinc/64/82/03/1016648203.db2.gz RMNGBICORYGBKO-UHFFFAOYSA-N -1 0 302.302 -0.852 20 0 DBADRM CC(C)NC(=O)CNC(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001434841673 1002641961 /nfs/dbraw/zinc/64/19/61/1002641961.db2.gz UBCLPBUKOMAGEP-SNVBAGLBSA-N -1 0 322.369 -0.415 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001434841825 1002643814 /nfs/dbraw/zinc/64/38/14/1002643814.db2.gz XAHRKRLQOKOEOZ-IUCAKERBSA-N -1 0 308.342 -0.805 20 0 DBADRM C[C@@H](OC(=O)[C@@H](C)CC(=O)[O-])C(=O)NCCN1CCOCC1 ZINC001592366918 1016655532 /nfs/dbraw/zinc/65/55/32/1016655532.db2.gz FIUDKTOOPPXVCV-WDEREUQCSA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC001592385417 1016655890 /nfs/dbraw/zinc/65/58/90/1016655890.db2.gz STQFMUNXZSZYER-QIBSRJKCSA-N -1 0 311.338 -0.018 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1C[C@@H](NCc2ccon2)C1 ZINC001436370882 1002691490 /nfs/dbraw/zinc/69/14/90/1002691490.db2.gz ZHTSPKYJSQAERR-WAAGHKOSSA-N -1 0 322.325 -0.638 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CC1(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415149092 1002700886 /nfs/dbraw/zinc/70/08/86/1002700886.db2.gz SDJDUBVKLWFUPV-SFYZADRCSA-N -1 0 311.342 -0.644 20 0 DBADRM COCCN(CCNC(=O)c1ccon1)Cc1n[nH]c(=O)[n-]1 ZINC001426154421 1002704884 /nfs/dbraw/zinc/70/48/84/1002704884.db2.gz OTHLJMPYEXHSFQ-UHFFFAOYSA-N -1 0 310.314 -0.623 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC(C)C1 ZINC001495615496 1016659027 /nfs/dbraw/zinc/65/90/27/1016659027.db2.gz NKNIJLKUHRJYKF-QJAFJHJLSA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1nn(C)c(C)c1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001592428110 1016662561 /nfs/dbraw/zinc/66/25/61/1016662561.db2.gz IFRIJKSKIZFHMI-UHFFFAOYSA-N -1 0 316.329 -0.875 20 0 DBADRM C[C@@H](CC(=O)OCC(=O)NCC(=O)[O-])NC(=O)c1ccccc1 ZINC001592430179 1016664825 /nfs/dbraw/zinc/66/48/25/1016664825.db2.gz VMOOCBNOUAQOJU-JTQLQIEISA-N -1 0 322.317 -0.061 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(C=O)n(C)n2)CC1 ZINC001592415933 1016665324 /nfs/dbraw/zinc/66/53/24/1016665324.db2.gz SZHMRZMIFMWLNT-JTQLQIEISA-N -1 0 308.338 -0.146 20 0 DBADRM O=C(CNC(=O)C1CC1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001436688677 1002745550 /nfs/dbraw/zinc/74/55/50/1002745550.db2.gz XWKXBXPSNURBEB-SNVBAGLBSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(C=O)n(C)n2)CC1 ZINC001592415934 1016666047 /nfs/dbraw/zinc/66/60/47/1016666047.db2.gz SZHMRZMIFMWLNT-SNVBAGLBSA-N -1 0 308.338 -0.146 20 0 DBADRM Cc1nn(CC(=O)NCC(C)C)c(=O)c(-c2nnn[n-]2)c1C ZINC001592438499 1016667164 /nfs/dbraw/zinc/66/71/64/1016667164.db2.gz DYEBMOXEPWDHGI-UHFFFAOYSA-N -1 0 305.342 -0.188 20 0 DBADRM Cc1nn(C[C@@H](O)C(F)(F)F)c(=O)c(-c2nnn[n-]2)c1C ZINC001592436657 1016669418 /nfs/dbraw/zinc/66/94/18/1016669418.db2.gz XXYZPLGQAQDCGI-ZCFIWIBFSA-N -1 0 304.232 -0.037 20 0 DBADRM COCCC(=O)N[C@@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001436720798 1002773311 /nfs/dbraw/zinc/77/33/11/1002773311.db2.gz MXOGOZAUODMCTB-LLVKDONJSA-N -1 0 319.365 -0.250 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001592453296 1016672778 /nfs/dbraw/zinc/67/27/78/1016672778.db2.gz FYGVDDQPRMIYMS-SECBINFHSA-N -1 0 321.337 -0.665 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001592452865 1016672919 /nfs/dbraw/zinc/67/29/19/1016672919.db2.gz QSFZSTJEXPMTCB-SFYZADRCSA-N -1 0 317.342 -0.266 20 0 DBADRM C[C@H](C[C@H](C)Nc1cc[nH+]c(C(=O)[O-])n1)NC(=O)c1nnc[n-]1 ZINC001592452151 1016674080 /nfs/dbraw/zinc/67/40/80/1016674080.db2.gz JRJBUWORCBBKFV-JGVFFNPUSA-N -1 0 319.325 -0.276 20 0 DBADRM Cc1nonc1CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001592466794 1016674143 /nfs/dbraw/zinc/67/41/43/1016674143.db2.gz CCUXKIZRMMXHHW-ZCFIWIBFSA-N -1 0 304.274 -0.973 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2cn(C)nn2)c1[O-] ZINC001426445460 1002804046 /nfs/dbraw/zinc/80/40/46/1002804046.db2.gz ZCZNUUNXIAIOMX-RNFRBKRXSA-N -1 0 321.341 -0.511 20 0 DBADRM C[C@](CCF)(NC(=O)CN1CCCCS1(=O)=O)C(=O)[O-] ZINC001592494858 1016676420 /nfs/dbraw/zinc/67/64/20/1016676420.db2.gz DLAPGIRBPHXZCZ-LLVKDONJSA-N -1 0 310.347 -0.269 20 0 DBADRM C[C@@](CCF)(NC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC001592498112 1016676562 /nfs/dbraw/zinc/67/65/62/1016676562.db2.gz SZCSZGRPYCVEGF-NSHDSACASA-N -1 0 319.314 -0.338 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC[C@H]([NH2+]Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001436845742 1002814541 /nfs/dbraw/zinc/81/45/41/1002814541.db2.gz XPGGSKJDTOFQGD-NSHDSACASA-N -1 0 319.369 -0.231 20 0 DBADRM C[C@@H](CCCNc1cc[nH+]c(C(=O)[O-])n1)NC(=O)c1nnc[n-]1 ZINC001592487354 1016679309 /nfs/dbraw/zinc/67/93/09/1016679309.db2.gz INAADRVVVSXPHR-QMMMGPOBSA-N -1 0 319.325 -0.275 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001415418047 1002830313 /nfs/dbraw/zinc/83/03/13/1002830313.db2.gz FQKNEAOZXOJHDH-SNXWAXQRSA-N -1 0 322.365 -0.059 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NCC[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001592512627 1016680688 /nfs/dbraw/zinc/68/06/88/1016680688.db2.gz AJDGCUXHEJMHCH-BDAKNGLRSA-N -1 0 323.353 -0.007 20 0 DBADRM C[C@@H](CCNC(=O)[C@H]1CCNC1=O)Nc1ccnc(C(=O)[O-])n1 ZINC001592512715 1016680908 /nfs/dbraw/zinc/68/09/08/1016680908.db2.gz CHQGZIAFPHNDQY-DTWKUNHWSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@@H](CCNC(=O)Cn1cccc(C(=O)[O-])c1=O)[S@](C)=O ZINC001592512904 1016680997 /nfs/dbraw/zinc/68/09/97/1016680997.db2.gz JCZQZCZRVMJORR-FPVGNUTFSA-N -1 0 314.363 -0.180 20 0 DBADRM C[C@H](CCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)[S@](C)=O ZINC001592512913 1016681336 /nfs/dbraw/zinc/68/13/36/1016681336.db2.gz JLIVAXSCNNYQAN-QDXVKYEASA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@@H](CCNC(=O)C1=COCCO1)Nc1ccnc(C(=O)[O-])n1 ZINC001592512938 1016681618 /nfs/dbraw/zinc/68/16/18/1016681618.db2.gz KCHDWFXJHCLKML-VIFPVBQESA-N -1 0 322.321 -0.208 20 0 DBADRM C[C@H](CCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)[S@](C)=O ZINC001592512915 1016682872 /nfs/dbraw/zinc/68/28/72/1016682872.db2.gz JLIVAXSCNNYQAN-ULQSSITMSA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@H](CCNC(=O)c1cnn(C)n1)Nc1ccnc(C(=O)[O-])n1 ZINC001592521827 1016685194 /nfs/dbraw/zinc/68/51/94/1016685194.db2.gz ZZMSDNRGALVVKW-MRVPVSSYSA-N -1 0 319.325 -0.654 20 0 DBADRM CCCC(=O)N(C)C[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001426716284 1002874700 /nfs/dbraw/zinc/87/47/00/1002874700.db2.gz MXNGMMWTUCEVJC-MRVPVSSYSA-N -1 0 309.326 -0.244 20 0 DBADRM C[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001426748028 1002881094 /nfs/dbraw/zinc/88/10/94/1002881094.db2.gz XKMUNRLUVGORSJ-JGVFFNPUSA-N -1 0 323.353 -0.094 20 0 DBADRM CC[C@@H](F)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415565850 1002883121 /nfs/dbraw/zinc/88/31/21/1002883121.db2.gz VQXPQSVGWIMJFF-ZCFIWIBFSA-N -1 0 301.278 -0.781 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H]2CCCOCC2)c(-c2nnn[n-]2)c1=O ZINC001592545608 1016687695 /nfs/dbraw/zinc/68/76/95/1016687695.db2.gz GMLVRBAOMAHEMG-ZETCQYMHSA-N -1 0 307.314 -0.353 20 0 DBADRM CC[C@H](F)C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415570416 1002884627 /nfs/dbraw/zinc/88/46/27/1002884627.db2.gz NXPHIIBCWAZCHX-ZETCQYMHSA-N -1 0 303.294 -0.988 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001426764157 1002884912 /nfs/dbraw/zinc/88/49/12/1002884912.db2.gz UANJNCURKYSBKV-NKWVEPMBSA-N -1 0 315.305 -0.392 20 0 DBADRM Cn1c(=O)[nH]c(N2CC[C@@H](C3CC3)C2)c(-c2nnn[n-]2)c1=O ZINC001592543402 1016688667 /nfs/dbraw/zinc/68/86/67/1016688667.db2.gz JTMXZCMMMSHCKX-MRVPVSSYSA-N -1 0 303.326 -0.510 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)c1cn(C)nn1 ZINC001592531179 1016688808 /nfs/dbraw/zinc/68/88/08/1016688808.db2.gz UMSYDSVWBLIVNJ-QMMMGPOBSA-N -1 0 319.325 -0.654 20 0 DBADRM Cc1cnc(CN[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001437251170 1002892670 /nfs/dbraw/zinc/89/26/70/1002892670.db2.gz QNFLLSCRVPJWOQ-SSDOTTSWSA-N -1 0 310.314 -0.720 20 0 DBADRM C[C@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H](C)CC(N)=O ZINC001592531531 1016689372 /nfs/dbraw/zinc/68/93/72/1016689372.db2.gz YXEPNPJNBYECLT-DTWKUNHWSA-N -1 0 323.353 -0.007 20 0 DBADRM COC[C@H](OC)C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001415608587 1002897503 /nfs/dbraw/zinc/89/75/03/1002897503.db2.gz OUJNEYPQZAPRIZ-VIFPVBQESA-N -1 0 314.342 -0.727 20 0 DBADRM Cn1c(=O)[nH]c(NCCC2CCOCC2)c(-c2nnn[n-]2)c1=O ZINC001592545552 1016690216 /nfs/dbraw/zinc/69/02/16/1016690216.db2.gz DEVDIHSZLSJUAT-UHFFFAOYSA-N -1 0 321.341 -0.105 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001592531456 1016690376 /nfs/dbraw/zinc/69/03/76/1016690376.db2.gz WXGVOOJITRBQQY-HLTSFMKQSA-N -1 0 321.337 -0.975 20 0 DBADRM C[C@@H](CCO)CCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001592531011 1016690414 /nfs/dbraw/zinc/69/04/14/1016690414.db2.gz QAKXSQBVGDCIQT-MNOVXSKESA-N -1 0 300.355 -0.166 20 0 DBADRM Cn1c(=O)[nH]c(NCC(F)(F)C(F)F)c(-c2nnn[n-]2)c1=O ZINC001592546979 1016692750 /nfs/dbraw/zinc/69/27/50/1016692750.db2.gz YVUQFRHBDCSOQF-UHFFFAOYSA-N -1 0 323.210 -0.022 20 0 DBADRM CCN(CCNC(=O)c1ccoc1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415639428 1002916750 /nfs/dbraw/zinc/91/67/50/1002916750.db2.gz JYRIDJMFDFJTES-UHFFFAOYSA-N -1 0 323.309 -0.439 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C)C(=O)c1cnc([O-])n(C)c1=O ZINC001415640885 1002920359 /nfs/dbraw/zinc/92/03/59/1002920359.db2.gz DZZFYNIDMFBCCO-UWVGGRQHSA-N -1 0 322.365 -0.280 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C)C(=O)c1cnc([O-])n(C)c1=O ZINC001415640893 1002920937 /nfs/dbraw/zinc/92/09/37/1002920937.db2.gz DZZFYNIDMFBCCO-ZJUUUORDSA-N -1 0 322.365 -0.280 20 0 DBADRM Cn1c(=O)[nH]c(NC2(CO)CCCC2)c(-c2nnn[n-]2)c1=O ZINC001592546726 1016694529 /nfs/dbraw/zinc/69/45/29/1016694529.db2.gz RTKHKEVTAOYXDB-UHFFFAOYSA-N -1 0 307.314 -0.617 20 0 DBADRM C[C@@H](CN(C(=O)CCS(=O)(=O)N(C)C)C1CC1)C(=O)[O-] ZINC001592557355 1016695735 /nfs/dbraw/zinc/69/57/35/1016695735.db2.gz AKVSDDALEFBQQU-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)c2cccs2)c1=O ZINC001592557682 1016696442 /nfs/dbraw/zinc/69/64/42/1016696442.db2.gz CJTNCZAHDAOUIH-UHFFFAOYSA-N -1 0 318.318 -0.329 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2C[C@@H]3CCC[C@@H]23)n(C)c1=O ZINC001592555914 1016696843 /nfs/dbraw/zinc/69/68/43/1016696843.db2.gz UFUMEYHMEGPQPX-DJLDLDEBSA-N -1 0 317.353 -0.135 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2coc(C3CC3)n2)c1=O ZINC001592557988 1016697080 /nfs/dbraw/zinc/69/70/80/1016697080.db2.gz JLWBPBIJTWQNCR-UHFFFAOYSA-N -1 0 315.293 -0.359 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001592569107 1016707117 /nfs/dbraw/zinc/70/71/17/1016707117.db2.gz BZNNVSOYNVNGBL-NXEZZACHSA-N -1 0 308.338 -0.108 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1cncn1)Nc1ncc(C(=O)[O-])cn1 ZINC001592574622 1016707180 /nfs/dbraw/zinc/70/71/80/1016707180.db2.gz LZTKFBSOBBXCLR-VIFPVBQESA-N -1 0 319.325 -0.275 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@H]2C=CCC2)n(C)c1=O ZINC001592555943 1016697617 /nfs/dbraw/zinc/69/76/17/1016697617.db2.gz YQNGRCXDKQFRGP-QMMMGPOBSA-N -1 0 303.326 -0.358 20 0 DBADRM CCN(CCNC(=O)C1(C)CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415677329 1002951598 /nfs/dbraw/zinc/95/15/98/1002951598.db2.gz HBAQAKBLKIQLMF-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM C[C@@H](CN(C(=O)c1nc(N)nc(N(C)C)n1)C1CC1)C(=O)[O-] ZINC001592563883 1016701550 /nfs/dbraw/zinc/70/15/50/1016701550.db2.gz JKUWZLXXSFZSQL-ZETCQYMHSA-N -1 0 308.342 -0.155 20 0 DBADRM C[C@@H](CN(C)C(=O)C(C)(C)C(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001592563888 1016702810 /nfs/dbraw/zinc/70/28/10/1016702810.db2.gz JSBFSELYKOVHCY-QMMMGPOBSA-N -1 0 323.353 -0.633 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1CCNC1=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592569076 1016704499 /nfs/dbraw/zinc/70/44/99/1016704499.db2.gz BTOVNOLKQCEHQW-SCZZXKLOSA-N -1 0 321.337 -0.430 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1CCNC1=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592569078 1016705772 /nfs/dbraw/zinc/70/57/72/1016705772.db2.gz BTOVNOLKQCEHQW-WCBMZHEXSA-N -1 0 321.337 -0.430 20 0 DBADRM CC(C)C(=O)NC[C@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415744438 1002996597 /nfs/dbraw/zinc/99/65/97/1002996597.db2.gz PFFAKEHSTKHOCM-MRVPVSSYSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N1CCC[C@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001415763448 1003005082 /nfs/dbraw/zinc/00/50/82/1003005082.db2.gz WOFPTHDSCHDMNE-JTQLQIEISA-N -1 0 318.337 -0.802 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C2CCC2)C1 ZINC001427061176 1003008818 /nfs/dbraw/zinc/00/88/18/1003008818.db2.gz VDMSJKXZDPDWJP-QMMMGPOBSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@@H](CN(C)C(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC001592579991 1016709279 /nfs/dbraw/zinc/70/92/79/1016709279.db2.gz VJKOCVYQVBVNGF-ZETCQYMHSA-N -1 0 301.324 -0.478 20 0 DBADRM CCCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@H]1C[C@H]1C ZINC001415814625 1003014248 /nfs/dbraw/zinc/01/42/48/1003014248.db2.gz XQTYYTALWPLUHZ-BDAKNGLRSA-N -1 0 323.353 -0.093 20 0 DBADRM Cn1ccc(CNS(=O)(=O)c2cccnc2-c2nnn[n-]2)n1 ZINC001592580733 1016709404 /nfs/dbraw/zinc/70/94/04/1016709404.db2.gz AXCVZORLYRSOOR-UHFFFAOYSA-N -1 0 320.338 -0.526 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cnccn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592579540 1016712051 /nfs/dbraw/zinc/71/20/51/1016712051.db2.gz RCGNRDYDIZVEIW-VIFPVBQESA-N -1 0 316.321 -0.041 20 0 DBADRM C[C@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)CCNC(N)=O ZINC001592588961 1016715234 /nfs/dbraw/zinc/71/52/34/1016715234.db2.gz UGIIVGZWDAJQNQ-MRVPVSSYSA-N -1 0 324.341 -0.826 20 0 DBADRM CNC(=O)[C@@H](C)N(C)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001437541932 1003060169 /nfs/dbraw/zinc/06/01/69/1003060169.db2.gz QPFORCZNOQSECH-MRVPVSSYSA-N -1 0 321.337 -0.276 20 0 DBADRM CN(CCNC(=O)c1cnn2c1CCCC2)Cc1n[nH]c(=O)[n-]1 ZINC001437547182 1003064050 /nfs/dbraw/zinc/06/40/50/1003064050.db2.gz ZESQUIOGGJJWFQ-UHFFFAOYSA-N -1 0 319.369 -0.095 20 0 DBADRM CN(CCNC(=O)CC[C@]1(C)CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001437568239 1003073385 /nfs/dbraw/zinc/07/33/85/1003073385.db2.gz KXGTTZFTXZDMHJ-CQSZACIVSA-N -1 0 324.385 -0.493 20 0 DBADRM CC[C@@H](C)CC(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001415993586 1003077159 /nfs/dbraw/zinc/07/71/59/1003077159.db2.gz LEYHJSWPAUQBAD-SECBINFHSA-N -1 0 322.365 -0.137 20 0 DBADRM CN(C(=O)CC1CCN(S(C)(=O)=O)CC1)c1nnn[n-]1 ZINC001437664228 1003123218 /nfs/dbraw/zinc/12/32/18/1003123218.db2.gz HZHSMMGETGYZIG-UHFFFAOYSA-N -1 0 302.360 -0.776 20 0 DBADRM CN(C(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001437664017 1003124242 /nfs/dbraw/zinc/12/42/42/1003124242.db2.gz GGEBEGVPNLTZLM-SFYZADRCSA-N -1 0 312.330 -0.155 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CC(=O)N(C)c2nnn[n-]2)cc1 ZINC001437665705 1003127128 /nfs/dbraw/zinc/12/71/28/1003127128.db2.gz LMHHNWDLZAOGKP-UHFFFAOYSA-N -1 0 324.366 -0.345 20 0 DBADRM C[C@@H](CN1CCOCC1)N(C)C(=O)c1cc(C(=O)[O-])nn1C ZINC001592622903 1016729781 /nfs/dbraw/zinc/72/97/81/1016729781.db2.gz CMTHNPDDKMGGAI-JTQLQIEISA-N -1 0 310.354 -0.089 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)Cn1cccn1 ZINC001592625018 1016731953 /nfs/dbraw/zinc/73/19/53/1016731953.db2.gz PISPUNILABITKE-UTUOFQBUSA-N -1 0 322.365 -0.043 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001592624503 1016732489 /nfs/dbraw/zinc/73/24/89/1016732489.db2.gz JRHHZZDQSHCOJT-VIFPVBQESA-N -1 0 324.308 -0.297 20 0 DBADRM C[C@@H](CNC(=O)[C@H](C)CC(N)=O)CNc1ccnc(C(=O)[O-])n1 ZINC001592636301 1016733459 /nfs/dbraw/zinc/73/34/59/1016733459.db2.gz OWIAAHJWQREFBM-RKDXNWHRSA-N -1 0 323.353 -0.728 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(C(=O)CC2CCC2)C1 ZINC001416108925 1003186001 /nfs/dbraw/zinc/18/60/01/1003186001.db2.gz MMTCZAUGLPANCZ-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)Nc1ncc(C(=O)[O-])cn1 ZINC001592648114 1016734071 /nfs/dbraw/zinc/73/40/71/1016734071.db2.gz YXLJKZLXIKFKCT-IUCAKERBSA-N -1 0 321.337 -0.430 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCC1CC1)Nc1ncc(C(=O)[O-])cn1 ZINC001592630402 1016734399 /nfs/dbraw/zinc/73/43/99/1016734399.db2.gz QICLZKSETABIFG-QMMMGPOBSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCNC1=O)N(C)c1ncc(C(=O)[O-])cn1 ZINC001592647701 1016734789 /nfs/dbraw/zinc/73/47/89/1016734789.db2.gz LXGFQWILURRXIO-WPRPVWTQSA-N -1 0 321.337 -0.748 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)Nc1ncc(C(=O)[O-])cn1 ZINC001592647222 1016735043 /nfs/dbraw/zinc/73/50/43/1016735043.db2.gz AVZUJXGINQMZBF-IUCAKERBSA-N -1 0 321.337 -0.382 20 0 DBADRM O=C(CNC(=O)C1CC1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001437780180 1003207742 /nfs/dbraw/zinc/20/77/42/1003207742.db2.gz NNOOXPHPOYSMFT-UHFFFAOYSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@H](CNC(=O)CNC(=O)C1CC1)Nc1ncc(C(=O)[O-])cn1 ZINC001592654470 1016737608 /nfs/dbraw/zinc/73/76/08/1016737608.db2.gz WNJWFFNMFVWIAP-MRVPVSSYSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@H](CNC(=O)c1cnc[nH]c1=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592692354 1016745617 /nfs/dbraw/zinc/74/56/17/1016745617.db2.gz IBZJWOFDUOMZBU-SSDOTTSWSA-N -1 0 318.293 -0.099 20 0 DBADRM C[C@@H](CNC(=O)c1cnc[nH]c1=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592692355 1016747401 /nfs/dbraw/zinc/74/74/01/1016747401.db2.gz IBZJWOFDUOMZBU-ZETCQYMHSA-N -1 0 318.293 -0.099 20 0 DBADRM C[C@@H](CNC(=O)c1ccc(OCC(=O)[O-])cc1)S(N)(=O)=O ZINC001592697384 1016748283 /nfs/dbraw/zinc/74/82/83/1016748283.db2.gz SZIQPYBHOFCTMY-QMMMGPOBSA-N -1 0 316.335 -0.443 20 0 DBADRM C[C@@H](CNC(=O)c1cccnn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592701126 1016748532 /nfs/dbraw/zinc/74/85/32/1016748532.db2.gz KWUAEDKKIHFTKN-QMMMGPOBSA-N -1 0 302.294 -0.383 20 0 DBADRM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)CNc1ccnc(C(=O)[O-])n1 ZINC001592688499 1016748944 /nfs/dbraw/zinc/74/89/44/1016748944.db2.gz BZVXBRUWFXAIJV-FTGAXOIBSA-N -1 0 320.349 -0.203 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(CCNC(=O)C(C)C)CC2)c1[O-] ZINC001427679275 1003266503 /nfs/dbraw/zinc/26/65/03/1003266503.db2.gz ZFWYOZPRTTVENI-UHFFFAOYSA-N -1 0 323.397 -0.046 20 0 DBADRM C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)Nc1ccnc(C(=O)[O-])n1 ZINC001592702215 1016749893 /nfs/dbraw/zinc/74/98/93/1016749893.db2.gz WRWPAYRQSCMENE-ZETCQYMHSA-N -1 0 320.309 -0.734 20 0 DBADRM C[C@H](CNC(=O)c1cn(C)nn1)N(C)c1ncc(C(=O)[O-])cn1 ZINC001592702085 1016750285 /nfs/dbraw/zinc/75/02/85/1016750285.db2.gz VHFMTZIQXGSUDQ-MRVPVSSYSA-N -1 0 319.325 -0.442 20 0 DBADRM C[C@@H](CNC(=O)c1cnn(C)c1)CNc1ccnc(C(=O)[O-])n1 ZINC001592706642 1016750569 /nfs/dbraw/zinc/75/05/69/1016750569.db2.gz RLGBFQNSNIUIMS-SECBINFHSA-N -1 0 318.337 -0.192 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)C(C)(C)F ZINC001416420864 1003322830 /nfs/dbraw/zinc/32/28/30/1003322830.db2.gz YFHZMIOFJGAOIO-ZCFIWIBFSA-N -1 0 315.305 -0.487 20 0 DBADRM CC(C)CC(=O)NC[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001416416663 1003323020 /nfs/dbraw/zinc/32/30/20/1003323020.db2.gz AXJVPUPKPCFVDB-VIFPVBQESA-N -1 0 313.358 -0.396 20 0 DBADRM CO[C@H](C)CN1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001438062089 1003336841 /nfs/dbraw/zinc/33/68/41/1003336841.db2.gz KBMYPEJFAWZATJ-MRVPVSSYSA-N -1 0 311.342 -0.949 20 0 DBADRM C[C@@H](CNC(=O)c1cnon1)N(C)c1ccnc(C(=O)[O-])n1 ZINC001592706705 1016753822 /nfs/dbraw/zinc/75/38/22/1016753822.db2.gz VSQGWZNOTSDASS-ZETCQYMHSA-N -1 0 306.282 -0.188 20 0 DBADRM CC(C)[C@@H](CNC(=O)C1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001416554186 1003353683 /nfs/dbraw/zinc/35/36/83/1003353683.db2.gz FKYYQBSLTFLCEG-SECBINFHSA-N -1 0 311.342 -0.644 20 0 DBADRM Cn1ccc(CC(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001438124847 1003354103 /nfs/dbraw/zinc/35/41/03/1003354103.db2.gz REHAZADGEAFILF-UHFFFAOYSA-N -1 0 305.342 -0.966 20 0 DBADRM CCC(=O)NC[C@@H](O)CNC(=O)c1n[n-]c2ccccc2c1=O ZINC001416706626 1003392530 /nfs/dbraw/zinc/39/25/30/1003392530.db2.gz UISZALTZTXYYLF-SECBINFHSA-N -1 0 318.333 -0.048 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@@H](C)C(C)C)c1[O-] ZINC001427870828 1003415967 /nfs/dbraw/zinc/41/59/67/1003415967.db2.gz BEBDGUADCVVAJN-WPRPVWTQSA-N -1 0 312.370 -0.077 20 0 DBADRM C[C@](CNc1ncc(C(=O)[O-])cn1)(NC(=O)C(N)=O)C1CC1 ZINC001592729022 1016770549 /nfs/dbraw/zinc/77/05/49/1016770549.db2.gz JYNPKQPLCLKIDR-CYBMUJFWSA-N -1 0 307.310 -0.643 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)N(C)C(=O)c1nc[nH]n1 ZINC001592729775 1016775036 /nfs/dbraw/zinc/77/50/36/1016775036.db2.gz RCBVXTVSMHGHSU-ZETCQYMHSA-N -1 0 305.298 -0.135 20 0 DBADRM NC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001592730282 1016776014 /nfs/dbraw/zinc/77/60/14/1016776014.db2.gz WBDOZBMVFGVUDJ-MRVPVSSYSA-N -1 0 317.309 -0.545 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)C1(C(N)=O)CC1 ZINC001592729719 1016777725 /nfs/dbraw/zinc/77/77/25/1016777725.db2.gz PPMQYBYSFUFXDY-QMMMGPOBSA-N -1 0 321.337 -0.879 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)CC(C)(F)F)c1[O-] ZINC001427949845 1003501035 /nfs/dbraw/zinc/50/10/35/1003501035.db2.gz RJOGWTJMKWLYTF-ZETCQYMHSA-N -1 0 320.296 -0.324 20 0 DBADRM NC(=O)[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001592734970 1016780256 /nfs/dbraw/zinc/78/02/56/1016780256.db2.gz XPCYNDWJXUWSEM-IZLXSQMJSA-N -1 0 312.311 -0.998 20 0 DBADRM NC(=O)c1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC001592736969 1016780453 /nfs/dbraw/zinc/78/04/53/1016780453.db2.gz ZSTUJGJANCHLAU-UHFFFAOYSA-N -1 0 313.281 -0.804 20 0 DBADRM CC(CO)(CO)Cn1cc(CN2CCCC[C@@H]2C(=O)[O-])nn1 ZINC001592734172 1016782425 /nfs/dbraw/zinc/78/24/25/1016782425.db2.gz SDFJEQAZZAHBIO-GFCCVEGCSA-N -1 0 312.370 -0.292 20 0 DBADRM C[C@](CO)(NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-] ZINC001592738669 1016783472 /nfs/dbraw/zinc/78/34/72/1016783472.db2.gz FMWYYISVDPKHCJ-QIOHGKGESA-N -1 0 301.217 -0.716 20 0 DBADRM C[C@@](CO)(NC(=O)C1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC001592741602 1016783829 /nfs/dbraw/zinc/78/38/29/1016783829.db2.gz IEVLCCGBTSFBHM-AWEZNQCLSA-N -1 0 308.338 -0.355 20 0 DBADRM C[C@](CO)(NC(=O)CCCCCCS(N)(=O)=O)C(=O)[O-] ZINC001592743313 1016783911 /nfs/dbraw/zinc/78/39/11/1016783911.db2.gz UHJCGCGIPPHCSB-LLVKDONJSA-N -1 0 310.372 -0.823 20 0 DBADRM C[C@](CO)(NC(=O)C1CCC(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001592741883 1016784666 /nfs/dbraw/zinc/78/46/66/1016784666.db2.gz LBIAQBPKBLTBTL-SHVIVCPWSA-N -1 0 307.368 -0.458 20 0 DBADRM O=C(Cc1ccco1)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001438593360 1003533743 /nfs/dbraw/zinc/53/37/43/1003533743.db2.gz YYRXXNYXZBXENJ-LLVKDONJSA-N -1 0 321.337 -0.337 20 0 DBADRM C[C@](CO)(NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC001592742091 1016785245 /nfs/dbraw/zinc/78/52/45/1016785245.db2.gz MOXMUMXZYBKYNI-LDYMZIIASA-N -1 0 305.352 -0.847 20 0 DBADRM C[C@@](CO)(NC(=O)c1ccc(Cn2ccnn2)cc1)C(=O)[O-] ZINC001592745922 1016788566 /nfs/dbraw/zinc/78/85/66/1016788566.db2.gz YCFFJIVTQPABBX-AWEZNQCLSA-N -1 0 304.306 -0.108 20 0 DBADRM C[C@](CO)(NC(=O)CNC(=O)OCC(F)(F)F)C(=O)[O-] ZINC001592743957 1016789667 /nfs/dbraw/zinc/78/96/67/1016789667.db2.gz WIPYNVYPVGZAFE-MRVPVSSYSA-N -1 0 302.205 -0.773 20 0 DBADRM C[C@](CO)(NCC(=O)NC(=O)NCc1ccccc1)C(=O)[O-] ZINC001592750322 1016794248 /nfs/dbraw/zinc/79/42/48/1016794248.db2.gz QRFPQPCBZRRQKZ-CQSZACIVSA-N -1 0 309.322 -0.562 20 0 DBADRM C[C@@H](CS(=O)(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)C(=O)[O-] ZINC001592800934 1016804448 /nfs/dbraw/zinc/80/44/48/1016804448.db2.gz VCDJTNPGWRYKFP-XHNCKOQMSA-N -1 0 311.381 -0.987 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1ccc2c(c1)COC2)C(=O)[O-] ZINC001592756248 1016795194 /nfs/dbraw/zinc/79/51/94/1016795194.db2.gz UDNXORSXQAFKKE-GFCCVEGCSA-N -1 0 301.320 -0.169 20 0 DBADRM C[C@H](CO)CCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001592757234 1016798194 /nfs/dbraw/zinc/79/81/94/1016798194.db2.gz IVGICGVKDJTJED-HBNTYKKESA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC001592755202 1016799000 /nfs/dbraw/zinc/79/90/00/1016799000.db2.gz AZCAHCMIABEDJZ-NSHDSACASA-N -1 0 303.340 -0.667 20 0 DBADRM C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001592771364 1016800076 /nfs/dbraw/zinc/80/00/76/1016800076.db2.gz DNGQJTSSHHQARI-NAKRPEOUSA-N -1 0 314.338 -0.724 20 0 DBADRM Cc1ccn(CC(=O)NC[C@H](C)NC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001416885773 1003624681 /nfs/dbraw/zinc/62/46/81/1003624681.db2.gz ZVXPMFRXHYWKTG-VIFPVBQESA-N -1 0 320.353 -0.137 20 0 DBADRM C[C@H](COC(=O)Cn1cc(C(=O)[O-])nn1)CS(C)(=O)=O ZINC001592763483 1016801142 /nfs/dbraw/zinc/80/11/42/1016801142.db2.gz GHJXIGWKPHPXHB-SSDOTTSWSA-N -1 0 305.312 -0.800 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@H](N2CCCC2=O)C1)C(=O)[O-] ZINC001592798060 1016801937 /nfs/dbraw/zinc/80/19/37/1016801937.db2.gz JVEUVMILSABGMW-ZJUUUORDSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@H](C(N)=O)c1ccc(F)cc1)C(=O)[O-] ZINC001592800316 1016804774 /nfs/dbraw/zinc/80/47/74/1016804774.db2.gz LIBYLKLKGNSIJK-XCBNKYQSSA-N -1 0 318.326 -0.008 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1)C(=O)[O-] ZINC001592789512 1016802424 /nfs/dbraw/zinc/80/24/24/1016802424.db2.gz IJZCFUPRNCYSDH-MKCWBWRRSA-N -1 0 318.351 -0.979 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@H](N2CCOCC2)C1)C(=O)[O-] ZINC001592798925 1016802535 /nfs/dbraw/zinc/80/25/35/1016802535.db2.gz RUIMMJXLCMYCMN-NEPJUHHUSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21)C(=O)[O-] ZINC001592789340 1016802912 /nfs/dbraw/zinc/80/29/12/1016802912.db2.gz FOESNMQJTJJGTD-IVZWLZJFSA-N -1 0 307.368 -0.085 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC[C@@H](N2CCCC2=O)C1)C(=O)[O-] ZINC001592798059 1016802969 /nfs/dbraw/zinc/80/29/69/1016802969.db2.gz JVEUVMILSABGMW-VHSXEESVSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCCS(=O)(=O)C[C@@H]1C)C(=O)[O-] ZINC001592798885 1016803177 /nfs/dbraw/zinc/80/31/77/1016803177.db2.gz QZLPRIMASJHVGL-IUCAKERBSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@@H](O)CC2(CCOCC2)C1)C(=O)[O-] ZINC001592789521 1016803280 /nfs/dbraw/zinc/80/32/80/1016803280.db2.gz ITINZKIIUKJWIZ-MNOVXSKESA-N -1 0 321.395 -0.100 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC2(CCN(C)C2=O)CC1)C(=O)[O-] ZINC001592799246 1016803718 /nfs/dbraw/zinc/80/37/18/1016803718.db2.gz VCUOUYNYPVMASZ-SNVBAGLBSA-N -1 0 318.395 -0.019 20 0 DBADRM C[C@H](CS(=O)(=O)NC1CC(N2CCOCC2)C1)C(=O)[O-] ZINC001592806177 1016803944 /nfs/dbraw/zinc/80/39/44/1016803944.db2.gz CZAJCWXBLSLJED-KPPDAEKUSA-N -1 0 306.384 -0.510 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN(C)C(=O)c2ccoc2)c1[O-] ZINC001428154271 1003646856 /nfs/dbraw/zinc/64/68/56/1003646856.db2.gz IUWBJUFXDUVESR-SNVBAGLBSA-N -1 0 322.321 -0.120 20 0 DBADRM O=C(C=Cc1nccs1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592803087 1016804109 /nfs/dbraw/zinc/80/41/09/1016804109.db2.gz IWONFNKYSFXNFP-UPHRSURJSA-N -1 0 317.338 -0.256 20 0 DBADRM C[C@@H](CS(=O)(=O)NC1CN(c2ccncn2)C1)C(=O)[O-] ZINC001592806746 1016804873 /nfs/dbraw/zinc/80/48/73/1016804873.db2.gz ITKOLBLJXIZBHI-QMMMGPOBSA-N -1 0 300.340 -0.695 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)C(=O)[O-] ZINC001592799906 1016804881 /nfs/dbraw/zinc/80/48/81/1016804881.db2.gz HHJXUOCYFMEXJR-MXWKQRLJSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001592813776 1016805465 /nfs/dbraw/zinc/80/54/65/1016805465.db2.gz GQZZBJLKRCCISH-OPRDCNLKSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@H](C[NH+]1CCCCC1)C(=O)[O-])C(=O)[O-] ZINC001592809831 1016806363 /nfs/dbraw/zinc/80/63/63/1016806363.db2.gz ZBHODSDJTZVPHW-VHSXEESVSA-N -1 0 322.383 -0.434 20 0 DBADRM C[C@H](CS(=O)(=O)NC[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001592808691 1016806675 /nfs/dbraw/zinc/80/66/75/1016806675.db2.gz MJGYZHWXMQGODN-BDAKNGLRSA-N -1 0 313.397 -0.549 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001592822288 1016808022 /nfs/dbraw/zinc/80/80/22/1016808022.db2.gz JUKOCHGBOIVKGS-QKUZVNEOSA-N -1 0 304.368 -0.951 20 0 DBADRM C[C@H](C[S@@](C)=O)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001592823086 1016808068 /nfs/dbraw/zinc/80/80/68/1016808068.db2.gz XIKYDYJDEIODOL-LWESTGQBSA-N -1 0 306.365 -0.175 20 0 DBADRM CC[C@@H](C)CC(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001495984807 1016808038 /nfs/dbraw/zinc/80/80/38/1016808038.db2.gz VQDPRRJSRYKGPU-SECBINFHSA-N -1 0 313.358 -0.300 20 0 DBADRM CO[C@H](C)C(=O)N(C)CCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001438859808 1003695522 /nfs/dbraw/zinc/69/55/22/1003695522.db2.gz WGGFJQRKTURTCJ-LLVKDONJSA-N -1 0 321.381 -0.052 20 0 DBADRM C[C@H](Cc1c[nH]cn1)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001592907714 1016814221 /nfs/dbraw/zinc/81/42/21/1016814221.db2.gz QEVZFQNYFBOMAS-MRVPVSSYSA-N -1 0 304.310 -0.039 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)[C@@H]1CCCS1(=O)=O)C(=O)[O-] ZINC001592917721 1016814631 /nfs/dbraw/zinc/81/46/31/1016814631.db2.gz SIAHKDZFKJQQJN-JOYOIKCWSA-N -1 0 315.351 -0.580 20 0 DBADRM CN(CCN(C)C(=O)C1(F)CCOCC1)Cc1n[nH]c(=O)[n-]1 ZINC001438878136 1003721902 /nfs/dbraw/zinc/72/19/02/1003721902.db2.gz NVZAGORCYLJGNK-UHFFFAOYSA-N -1 0 315.349 -0.081 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCCCn1ccnc1 ZINC001592941133 1016821246 /nfs/dbraw/zinc/82/12/46/1016821246.db2.gz UGFUUJRWBSCEJD-UHFFFAOYSA-N -1 0 316.329 -0.749 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@H]1CC2(CCC2)CO1 ZINC001592941049 1016821260 /nfs/dbraw/zinc/82/12/60/1016821260.db2.gz RBURGSBOYZMDGI-SECBINFHSA-N -1 0 318.341 -0.466 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCO[C@H]1C(F)(F)F ZINC001592940307 1016821471 /nfs/dbraw/zinc/82/14/71/1016821471.db2.gz YLHOWMAAJZTKDY-QMMMGPOBSA-N -1 0 318.219 -0.795 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@H]([C@H]2CCCO2)C1 ZINC001592940465 1016821694 /nfs/dbraw/zinc/82/16/94/1016821694.db2.gz IOCCGUGLDYUCLM-VHSXEESVSA-N -1 0 318.341 -0.514 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCO[C@@H]2CCC[C@@H]21 ZINC001592940269 1016821804 /nfs/dbraw/zinc/82/18/04/1016821804.db2.gz WJGVWTPQKWDLQY-DTWKUNHWSA-N -1 0 304.314 -0.762 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cccc2nonc21 ZINC001592941586 1016821984 /nfs/dbraw/zinc/82/19/84/1016821984.db2.gz GAVXGUPVRSKHCK-UHFFFAOYSA-N -1 0 312.253 -0.367 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@H](CCCO)C1 ZINC001592940795 1016822135 /nfs/dbraw/zinc/82/21/35/1016822135.db2.gz ZYKHFTFINPJPRN-VIFPVBQESA-N -1 0 306.330 -0.921 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@@H]2COC[C@@H]21 ZINC001592940180 1016822157 /nfs/dbraw/zinc/82/21/57/1016822157.db2.gz QWMRZQDUUJEAJN-BDAKNGLRSA-N -1 0 304.314 -0.904 20 0 DBADRM Cc1cc(CN(C)CCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)on1 ZINC001438897693 1003740640 /nfs/dbraw/zinc/74/06/40/1003740640.db2.gz QJLLUJIKFPDQLN-UHFFFAOYSA-N -1 0 322.325 -0.217 20 0 DBADRM O=C(Cc1ccc[nH]1)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001592920447 1016816800 /nfs/dbraw/zinc/81/68/00/1016816800.db2.gz ZBCHYXMMJMSQAA-UHFFFAOYSA-N -1 0 313.325 -0.823 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001592930330 1016817583 /nfs/dbraw/zinc/81/75/83/1016817583.db2.gz JQSYZWIJEGEEFB-JTQLQIEISA-N -1 0 304.306 -0.052 20 0 DBADRM O=C(Cc1ccccc1F)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592924463 1016818014 /nfs/dbraw/zinc/81/80/14/1016818014.db2.gz QWUIVYCBHQNIOG-UHFFFAOYSA-N -1 0 316.300 -0.044 20 0 DBADRM CC(F)(F)C(=O)NCCN(CCO)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001592934388 1016818956 /nfs/dbraw/zinc/81/89/56/1016818956.db2.gz JCLGZKDIVWQPIS-YUMQZZPRSA-N -1 0 308.281 -0.701 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N[C@H]1C=CCCC1 ZINC001592934205 1016819100 /nfs/dbraw/zinc/81/91/00/1016819100.db2.gz HHEXIDOONGTBQX-QMMMGPOBSA-N -1 0 317.309 -0.646 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)ccc1=O)NCc1ccco1 ZINC001592936503 1016819116 /nfs/dbraw/zinc/81/91/16/1016819116.db2.gz ODHMRXZGHGFVRA-UHFFFAOYSA-N -1 0 300.278 -0.062 20 0 DBADRM C[C@@H](Cn1cncn1)NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001592930873 1016819461 /nfs/dbraw/zinc/81/94/61/1016819461.db2.gz YRDDHUQPBHBBPA-QMMMGPOBSA-N -1 0 311.323 -0.262 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001592931620 1016819657 /nfs/dbraw/zinc/81/96/57/1016819657.db2.gz YEAKGUFGQMDHSS-QWRGUYRKSA-N -1 0 308.338 -0.289 20 0 DBADRM CC(F)(F)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001592934723 1016819714 /nfs/dbraw/zinc/81/97/14/1016819714.db2.gz QUOONCYABAJZKY-OAHBRNHXSA-N -1 0 302.277 -0.065 20 0 DBADRM O=C(Cn1cccc(-c2nnn[n-]2)c1=O)NCC(F)(F)F ZINC001592937598 1016819743 /nfs/dbraw/zinc/81/97/43/1016819743.db2.gz GESTXGHZZBEHEC-UHFFFAOYSA-N -1 0 302.216 -0.293 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@]2(CC2(F)F)C1 ZINC001592940507 1016820504 /nfs/dbraw/zinc/82/05/04/1016820504.db2.gz KVLAHGGLXUMYJR-SNVBAGLBSA-N -1 0 310.268 -0.284 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC001592940464 1016820666 /nfs/dbraw/zinc/82/06/66/1016820666.db2.gz IOCCGUGLDYUCLM-UWVGGRQHSA-N -1 0 318.341 -0.514 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1cnn(C)c1 ZINC001592970314 1016827052 /nfs/dbraw/zinc/82/70/52/1016827052.db2.gz FHXYAYPIRCXEOU-MWLCHTKSSA-N -1 0 324.337 -0.701 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ncnn1C ZINC001592970807 1016827157 /nfs/dbraw/zinc/82/71/57/1016827157.db2.gz KWQHFGVBLJUDGM-ISVAXAHUSA-N -1 0 309.326 -0.685 20 0 DBADRM CCC(=O)NCC1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001417089018 1003812906 /nfs/dbraw/zinc/81/29/06/1003812906.db2.gz HUVOIMOBLHEEEB-UHFFFAOYSA-N -1 0 318.337 -0.754 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1cnn(C)c1 ZINC001592970315 1016827945 /nfs/dbraw/zinc/82/79/45/1016827945.db2.gz FHXYAYPIRCXEOU-ONGXEEELSA-N -1 0 324.337 -0.701 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)[C@@H]1CCCOC1 ZINC001592977849 1016828070 /nfs/dbraw/zinc/82/80/70/1016828070.db2.gz GLBZDKFXQSCJSF-DTWKUNHWSA-N -1 0 324.337 -0.012 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cnc2ccccn12 ZINC001592941853 1016824208 /nfs/dbraw/zinc/82/42/08/1016824208.db2.gz WPIHWSSXHRIBOG-UHFFFAOYSA-N -1 0 310.281 -0.255 20 0 DBADRM C[C@H](CNC(=O)c1ccon1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001428523269 1003852886 /nfs/dbraw/zinc/85/28/86/1003852886.db2.gz JNOCWJJDBTYVDC-SSDOTTSWSA-N -1 0 321.293 -0.978 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2cnsn2)c1[O-] ZINC001428532025 1003853817 /nfs/dbraw/zinc/85/38/17/1003853817.db2.gz PGKDRNTWCLFZBQ-RXMQYKEDSA-N -1 0 310.339 -0.176 20 0 DBADRM CCC(=O)N1CC(N(C)C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001417257577 1003854845 /nfs/dbraw/zinc/85/48/45/1003854845.db2.gz INHYPAMVSPVNRA-UHFFFAOYSA-N -1 0 311.342 -0.451 20 0 DBADRM CCC(=O)N[C@]1(C)CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001417297324 1003862121 /nfs/dbraw/zinc/86/21/21/1003862121.db2.gz DVHQREAVQYLCSL-CQSZACIVSA-N -1 0 323.353 -0.267 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@H]2CCC(=O)NC2)c1[O-] ZINC001428576558 1003862335 /nfs/dbraw/zinc/86/23/35/1003862335.db2.gz HHLDAGKYZNAERE-CBAPKCEASA-N -1 0 323.353 -0.816 20 0 DBADRM CCC(=O)N1CC[C@@](C)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001417354437 1003870674 /nfs/dbraw/zinc/87/06/74/1003870674.db2.gz UDWHQHMIHNSODC-ZDUSSCGKSA-N -1 0 309.326 -0.339 20 0 DBADRM C[C@@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1N=NC(=O)N1C ZINC001593019454 1016831671 /nfs/dbraw/zinc/83/16/71/1016831671.db2.gz BZDPLXJIBRBCFX-HRDYMLBCSA-N -1 0 312.326 -0.032 20 0 DBADRM CN(CC(=O)N(C)c1nnn[n-]1)S(=O)(=O)c1ccccc1 ZINC001417566308 1003889088 /nfs/dbraw/zinc/88/90/88/1003889088.db2.gz YBVYDPZNKIZTDV-UHFFFAOYSA-N -1 0 310.339 -0.517 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H](C)n1cccn1 ZINC001439298108 1003896994 /nfs/dbraw/zinc/89/69/94/1003896994.db2.gz ADCSIAQMSLLDLN-ZJUUUORDSA-N -1 0 307.358 -0.096 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cc[nH]c(=O)c1 ZINC001439312335 1003898828 /nfs/dbraw/zinc/89/88/28/1003898828.db2.gz BSBKQGXZYQHXHI-QMMMGPOBSA-N -1 0 306.326 -0.139 20 0 DBADRM C[C@H](NC(=O)Cn1cccn1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593050179 1016834714 /nfs/dbraw/zinc/83/47/14/1016834714.db2.gz KIPMQZWBOMHICU-UWVGGRQHSA-N -1 0 318.337 -0.202 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1)C1(CO)CC1 ZINC001592990927 1016829079 /nfs/dbraw/zinc/82/90/79/1016829079.db2.gz JXWYQLKXCTVLBJ-QMMMGPOBSA-N -1 0 307.306 -0.005 20 0 DBADRM CCS(=O)(=O)CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001417632478 1003924471 /nfs/dbraw/zinc/92/44/71/1003924471.db2.gz YAGGXAFUHMMCEM-UHFFFAOYSA-N -1 0 324.366 -0.761 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1CCO[C@@H](c3nnn[n-]3)C1)CC2 ZINC001417636313 1003926645 /nfs/dbraw/zinc/92/66/45/1003926645.db2.gz VUJIGYHHMYICQO-NXEZZACHSA-N -1 0 318.341 -0.738 20 0 DBADRM O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001592996178 1016829501 /nfs/dbraw/zinc/82/95/01/1016829501.db2.gz MTEASNYUDMDEKS-MRVPVSSYSA-N -1 0 323.334 -0.511 20 0 DBADRM CC(C)OC(=O)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001417638559 1003930493 /nfs/dbraw/zinc/93/04/93/1003930493.db2.gz HZSRJPLEKTWTAK-UHFFFAOYSA-N -1 0 304.310 -0.244 20 0 DBADRM O=C(N[C@H]1CC[S@](=O)C1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001592995757 1016829827 /nfs/dbraw/zinc/82/98/27/1016829827.db2.gz JXJKNFFLPOWDAW-PPRQPISWSA-N -1 0 307.335 -0.177 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001592990678 1016829973 /nfs/dbraw/zinc/82/99/73/1016829973.db2.gz GPRGWIXUKRBOSL-IUCAKERBSA-N -1 0 313.354 -0.709 20 0 DBADRM C[C@H](NC(=O)C(N)=O)[C@@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001592993963 1016830034 /nfs/dbraw/zinc/83/00/34/1016830034.db2.gz LJAMHUIPEKTLCW-DTWKUNHWSA-N -1 0 321.337 -0.619 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001592991377 1016830042 /nfs/dbraw/zinc/83/00/42/1016830042.db2.gz QKFJKNKCVGJDMR-AEJSXWLSSA-N -1 0 300.355 -0.026 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001592989546 1016830204 /nfs/dbraw/zinc/83/02/04/1016830204.db2.gz HMNQEVDARYUKBO-DTWKUNHWSA-N -1 0 311.342 -0.602 20 0 DBADRM CCN(C(=O)CCCc1nnn[n-]1)[C@H](C)CS(C)(=O)=O ZINC001417643751 1003936127 /nfs/dbraw/zinc/93/61/27/1003936127.db2.gz FKXAMWDSRXJYTJ-SECBINFHSA-N -1 0 303.388 -0.196 20 0 DBADRM CS(=O)(=O)NCc1ccc(NC(=O)CCc2nnn[n-]2)cc1 ZINC001417648706 1003938716 /nfs/dbraw/zinc/93/87/16/1003938716.db2.gz VOFGMXQARCKADF-UHFFFAOYSA-N -1 0 324.366 -0.180 20 0 DBADRM C[C@H](NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C1N=NC(=O)N1C ZINC001593073308 1016835887 /nfs/dbraw/zinc/83/58/87/1016835887.db2.gz ZJKFFKAYTSXYAL-CSMHCCOUSA-N -1 0 313.314 -0.535 20 0 DBADRM C[C@H](NC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)c1nnc2n1CCC2 ZINC001593053788 1016836290 /nfs/dbraw/zinc/83/62/90/1016836290.db2.gz WHMASNQPXUXPCT-GUBZILKMSA-N -1 0 323.353 -0.238 20 0 DBADRM C[C@@](NC(=O)Cn1nc2n(c1=O)CCCC2)(C(=O)[O-])C1CC1 ZINC001593051497 1016836486 /nfs/dbraw/zinc/83/64/86/1016836486.db2.gz SWKWURNBLZXCLQ-AWEZNQCLSA-N -1 0 308.338 -0.249 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)CCCn2c(=O)[n-][nH]c2=O)cn1 ZINC001417669103 1003954108 /nfs/dbraw/zinc/95/41/08/1003954108.db2.gz PFJAJQQVANCXEB-VIFPVBQESA-N -1 0 310.314 -0.947 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](CCO)c1ccccc1 ZINC001417674642 1003957013 /nfs/dbraw/zinc/95/70/13/1003957013.db2.gz HKQXYLFCQHHUIR-LLVKDONJSA-N -1 0 306.322 -0.028 20 0 DBADRM C[C@@H](NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)c1nncn1C ZINC001593062798 1016836845 /nfs/dbraw/zinc/83/68/45/1016836845.db2.gz IEWYWBSBQLXSSE-AMIZOPFISA-N -1 0 322.325 -0.109 20 0 DBADRM C[C@H](NC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC001593054799 1016836997 /nfs/dbraw/zinc/83/69/97/1016836997.db2.gz ZOWOIAMJTGEJHT-YFKTTZPYSA-N -1 0 315.370 -0.818 20 0 DBADRM CS(=O)(=O)CCN(C(=O)CCCc1nnn[n-]1)C1CC1 ZINC001417682376 1003964239 /nfs/dbraw/zinc/96/42/39/1003964239.db2.gz MHZPSVRFEOXBKW-UHFFFAOYSA-N -1 0 301.372 -0.442 20 0 DBADRM O=C(CNC(=O)N1CCCC1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001417689010 1003974325 /nfs/dbraw/zinc/97/43/25/1003974325.db2.gz MFYLSWWZLARLCL-JTQLQIEISA-N -1 0 307.358 -0.289 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1cccc(C(=O)N2CCCC2)n1 ZINC001417688217 1003975026 /nfs/dbraw/zinc/97/50/26/1003975026.db2.gz MTVOOVURQVCFJP-UHFFFAOYSA-N -1 0 317.305 -0.076 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1COC2(CCCCC2)O1 ZINC001417693443 1003976958 /nfs/dbraw/zinc/97/69/58/1003976958.db2.gz NJAVOJSYEKDOPU-VIFPVBQESA-N -1 0 312.326 -0.119 20 0 DBADRM COC(=O)CCN1CCN(C(=O)CCCc2nnn[n-]2)[C@@H](C)C1 ZINC001417696175 1003979896 /nfs/dbraw/zinc/97/98/96/1003979896.db2.gz CFUSSNYLXGJXCK-NSHDSACASA-N -1 0 324.385 -0.382 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1cn(C)nn1 ZINC001439420699 1003983809 /nfs/dbraw/zinc/98/38/09/1003983809.db2.gz PEDCKBVKHFEALS-VIFPVBQESA-N -1 0 322.373 -0.792 20 0 DBADRM CCc1noc(COCC(=O)N(C)C[C@H](C)c2nnn[n-]2)n1 ZINC001417705084 1003987850 /nfs/dbraw/zinc/98/78/50/1003987850.db2.gz PQVNSLKYAOAJMU-QMMMGPOBSA-N -1 0 309.330 -0.076 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)C1CC=CC1 ZINC001593090605 1016840388 /nfs/dbraw/zinc/84/03/88/1016840388.db2.gz MHFAYFBPTJASLE-UHFFFAOYSA-N -1 0 300.326 -0.427 20 0 DBADRM C[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H](C(N)=O)C1 ZINC001417721218 1004002727 /nfs/dbraw/zinc/00/27/27/1004002727.db2.gz MHBHLINIDNNRNR-IUCAKERBSA-N -1 0 311.342 -0.418 20 0 DBADRM C[C@@H](NC(=O)NCCC(=O)NCCC(=O)[O-])[C@H]1CCOC1 ZINC001593088854 1016840679 /nfs/dbraw/zinc/84/06/79/1016840679.db2.gz NBJVNYCWZUEJSQ-ZJUUUORDSA-N -1 0 301.343 -0.308 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCC[C@H](c3nnn[n-]3)C1)CC2 ZINC001417722039 1004004517 /nfs/dbraw/zinc/00/45/17/1004004517.db2.gz TVTUFYUPNGOMSV-ZJUUUORDSA-N -1 0 316.369 -0.161 20 0 DBADRM Cn1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c(Cl)n1 ZINC001417726149 1004008035 /nfs/dbraw/zinc/00/80/35/1004008035.db2.gz WJEKTCOSKIDLHK-UHFFFAOYSA-N -1 0 311.733 -0.290 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCOC[C@]12CCOC2 ZINC001417726140 1004008541 /nfs/dbraw/zinc/00/85/41/1004008541.db2.gz WDLCVYBUZVHTHI-CYBMUJFWSA-N -1 0 312.326 -0.513 20 0 DBADRM C[C@H](NC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)C(F)F ZINC001593098403 1016843815 /nfs/dbraw/zinc/84/38/15/1016843815.db2.gz HPFXCCQBBZBRAO-JFWOZONXSA-N -1 0 314.310 -0.173 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@]1(C)CCOC1 ZINC001417749808 1004021408 /nfs/dbraw/zinc/02/14/08/1004021408.db2.gz XVZJGUCUVLXXQE-IINYFYTJSA-N -1 0 309.370 -0.030 20 0 DBADRM CCC(CC)(NC(=O)[C@@H](C)NS(C)(=O)=O)c1nnn[n-]1 ZINC001417774183 1004032573 /nfs/dbraw/zinc/03/25/73/1004032573.db2.gz ODWINZNKMSODII-SSDOTTSWSA-N -1 0 304.376 -0.731 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cn2c(n1)CCC2 ZINC001593112318 1016845162 /nfs/dbraw/zinc/84/51/62/1016845162.db2.gz ISXVWDQGHUGBDQ-UHFFFAOYSA-N -1 0 314.313 -0.969 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H](C)NC(=O)c1cn[nH]n1 ZINC001593146943 1016847996 /nfs/dbraw/zinc/84/79/96/1016847996.db2.gz VKAFUIBRWFDHPE-RQJHMYQMSA-N -1 0 305.298 -0.666 20 0 DBADRM Cn1cc(C[C@H](CO)CNC(=O)CCCc2nnn[n-]2)cn1 ZINC001417814483 1004049341 /nfs/dbraw/zinc/04/93/41/1004049341.db2.gz FZARGEVVGSJKKT-NSHDSACASA-N -1 0 307.358 -0.777 20 0 DBADRM C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@H](C)N1CCOCC1 ZINC001593141005 1016847577 /nfs/dbraw/zinc/84/75/77/1016847577.db2.gz CFTMMKQHTKJESD-YFKTTZPYSA-N -1 0 300.355 -0.156 20 0 DBADRM C[C@H](NC(=O)CCCc1nnn[n-]1)C1(S(C)(=O)=O)CC1 ZINC001417815949 1004051700 /nfs/dbraw/zinc/05/17/00/1004051700.db2.gz JCLXKTULXOHPMN-QMMMGPOBSA-N -1 0 301.372 -0.396 20 0 DBADRM C[C@@H](NC(=O)CCCc1nnn[n-]1)C1(S(C)(=O)=O)CC1 ZINC001417815940 1004052104 /nfs/dbraw/zinc/05/21/04/1004052104.db2.gz JCLXKTULXOHPMN-MRVPVSSYSA-N -1 0 301.372 -0.396 20 0 DBADRM O=C(NCCOC1CCC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001593096525 1016842330 /nfs/dbraw/zinc/84/23/30/1016842330.db2.gz JUKNSZSOPFOESQ-UHFFFAOYSA-N -1 0 321.345 -0.674 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)c1ncccc1O ZINC001439595717 1004064037 /nfs/dbraw/zinc/06/40/37/1004064037.db2.gz BWODRMCLMGSSQQ-UHFFFAOYSA-N -1 0 304.310 -0.337 20 0 DBADRM Cc1cc[nH]c1C(=O)NCC1(NCc2nc(=O)n(C)[nH]2)CC1 ZINC001439601346 1004066014 /nfs/dbraw/zinc/06/60/14/1004066014.db2.gz LYMPIKHIPPUXOZ-UHFFFAOYSA-N -1 0 304.354 -0.203 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)C1(C(F)(F)F)CC1 ZINC001593108727 1016842793 /nfs/dbraw/zinc/84/27/93/1016842793.db2.gz CQESHGQUSIBEMK-UHFFFAOYSA-N -1 0 316.247 -0.083 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CC(C2CC2)C1 ZINC001593110015 1016842873 /nfs/dbraw/zinc/84/28/73/1016842873.db2.gz QYIUWVSQWYBJJW-UHFFFAOYSA-N -1 0 303.330 -0.490 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H](C)c1cnn(C)c1)C(=O)[O-] ZINC001593101331 1016843424 /nfs/dbraw/zinc/84/34/24/1016843424.db2.gz CKRVEUAULXWHBW-CIUDSAMLSA-N -1 0 311.342 -0.242 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CC[C@H](C(=O)Nc2cn[nH]c2)C1 ZINC001417874047 1004080574 /nfs/dbraw/zinc/08/05/74/1004080574.db2.gz BGOLBFCJDZURMM-QMMMGPOBSA-N -1 0 304.314 -0.657 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cccc2n[nH]nc21 ZINC001417873661 1004080947 /nfs/dbraw/zinc/08/09/47/1004080947.db2.gz GZOXSFNDYLSIEV-UHFFFAOYSA-N -1 0 310.277 -0.019 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001417882407 1004086620 /nfs/dbraw/zinc/08/66/20/1004086620.db2.gz XHRKRODVOCCAHI-NSHDSACASA-N -1 0 320.357 -0.530 20 0 DBADRM CCOC(=O)[C@@H](F)C1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001417884079 1004087970 /nfs/dbraw/zinc/08/79/70/1004087970.db2.gz VAVWISIMKPFILS-NSHDSACASA-N -1 0 322.296 -0.004 20 0 DBADRM C[C@@](NC(=O)c1ccnc(S(N)(=O)=O)c1)(C(=O)[O-])C1CC1 ZINC001593181866 1016852686 /nfs/dbraw/zinc/85/26/86/1016852686.db2.gz XFECZRNBWOUFLM-LBPRGKRZSA-N -1 0 313.335 -0.288 20 0 DBADRM O=C(CC1(O)CCC1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001417905735 1004095468 /nfs/dbraw/zinc/09/54/68/1004095468.db2.gz BNOOXEPWQXPSEI-SNVBAGLBSA-N -1 0 309.370 -0.104 20 0 DBADRM CN(CCNC(=O)OC(C)(C)C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001417907428 1004098181 /nfs/dbraw/zinc/09/81/81/1004098181.db2.gz AFOVLWWYVDEKES-UHFFFAOYSA-N -1 0 315.330 -0.328 20 0 DBADRM O=C(NCc1ccc(-c2nn[nH]n2)c(F)c1)c1n[nH]c(=O)[n-]1 ZINC001593126688 1016848163 /nfs/dbraw/zinc/84/81/63/1016848163.db2.gz BFRPSVCTGHLBNV-UHFFFAOYSA-N -1 0 304.245 -0.241 20 0 DBADRM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)C1(O)CCOCC1 ZINC001593170675 1016849996 /nfs/dbraw/zinc/84/99/96/1016849996.db2.gz KEDPNYDZAAWNTA-UHFFFAOYSA-N -1 0 305.294 -0.182 20 0 DBADRM O=C([N-]S(=O)(=O)CCCF)c1ccnc(-c2nn[nH]n2)c1 ZINC001593172753 1016850230 /nfs/dbraw/zinc/85/02/30/1016850230.db2.gz PAUOXFONLBKUFS-UHFFFAOYSA-N -1 0 314.302 -0.319 20 0 DBADRM Cc1ccnn1CC(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001439848317 1004134104 /nfs/dbraw/zinc/13/41/04/1004134104.db2.gz IASHUAHYENCXFH-CQSZACIVSA-N -1 0 319.369 -0.204 20 0 DBADRM CC1(CNC(=O)c2cnon2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001439920581 1004149880 /nfs/dbraw/zinc/14/98/80/1004149880.db2.gz HADCFNXATMKROB-UHFFFAOYSA-N -1 0 321.341 -0.075 20 0 DBADRM C[C@@H](C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001439985354 1004170494 /nfs/dbraw/zinc/17/04/94/1004170494.db2.gz WOPGIDACOLHOAL-OTYXRUKQSA-N -1 0 309.370 -0.391 20 0 DBADRM CC[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H](O)C(C)C ZINC001418038093 1004170989 /nfs/dbraw/zinc/17/09/89/1004170989.db2.gz RQZUKQYMTYCYSC-JQWIXIFHSA-N -1 0 307.354 -0.017 20 0 DBADRM C[C@H](NS(=O)(=O)CCCC(=O)[O-])C1(S(C)(=O)=O)CC1 ZINC001593318523 1016859280 /nfs/dbraw/zinc/85/92/80/1016859280.db2.gz BFOWTKCLZRZTFL-QMMMGPOBSA-N -1 0 313.397 -0.264 20 0 DBADRM O=C(N[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001593184242 1016853688 /nfs/dbraw/zinc/85/36/88/1016853688.db2.gz SLYDBKGCYGHYMQ-VIFPVBQESA-N -1 0 300.326 -0.238 20 0 DBADRM CO[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)C(C)C ZINC001418062438 1004188038 /nfs/dbraw/zinc/18/80/38/1004188038.db2.gz JVPYFGHOPANNHS-CKYFFXLPSA-N -1 0 311.386 -0.484 20 0 DBADRM Cc1ccccc1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001440032768 1004207930 /nfs/dbraw/zinc/20/79/30/1004207930.db2.gz FLSAUKJHXKZCAG-UHFFFAOYSA-N -1 0 317.349 -0.205 20 0 DBADRM O=C(Nc1nnn[n-]1)c1ccn(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC001593269171 1016855728 /nfs/dbraw/zinc/85/57/28/1016855728.db2.gz APSLOBOLCOQJER-UHFFFAOYSA-N -1 0 323.280 -0.182 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(-c3nn[nH]n3)cn2)O1 ZINC001593275774 1016856743 /nfs/dbraw/zinc/85/67/43/1016856743.db2.gz XIBFGFXXEDFDJQ-ZJUUUORDSA-N -1 0 318.293 -0.490 20 0 DBADRM O=C([O-])C1CN(S(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001593277178 1016857082 /nfs/dbraw/zinc/85/70/82/1016857082.db2.gz SWSKXPMGRKYZBY-UHFFFAOYSA-N -1 0 323.334 -0.287 20 0 DBADRM C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)[C@H]1CN(C)CCN1C ZINC001593318623 1016859801 /nfs/dbraw/zinc/85/98/01/1016859801.db2.gz IYFZKPYFTAOTKD-GHMZBOCLSA-N -1 0 319.427 -0.595 20 0 DBADRM CC[C@H](C)C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)OC ZINC001418179509 1004245885 /nfs/dbraw/zinc/24/58/85/1004245885.db2.gz OHMZMKVFLIMAPM-YUMQZZPRSA-N -1 0 300.315 -0.217 20 0 DBADRM O=C(c1ccsc1-c1nn[nH]n1)N1CC[C@@H](O)[C@H](CO)C1 ZINC001593361925 1016865478 /nfs/dbraw/zinc/86/54/78/1016865478.db2.gz BRVSZPQJUDKHSE-IONNQARKSA-N -1 0 309.351 -0.257 20 0 DBADRM C[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CN(C)CCN1C ZINC001593325886 1016860982 /nfs/dbraw/zinc/86/09/82/1016860982.db2.gz MTUVYOMSTYLHJK-WISYIIOYSA-N -1 0 319.427 -0.597 20 0 DBADRM C[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CN(C)CCN1C ZINC001593325890 1016861223 /nfs/dbraw/zinc/86/12/23/1016861223.db2.gz MTUVYOMSTYLHJK-YFKTTZPYSA-N -1 0 319.427 -0.597 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001418187942 1004252665 /nfs/dbraw/zinc/25/26/65/1004252665.db2.gz JWJHBLVJSRHRQF-LJUQJJLCSA-N -1 0 309.278 -0.958 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)c1ncnn1C ZINC001593331440 1016861644 /nfs/dbraw/zinc/86/16/44/1016861644.db2.gz XRNJLKUYXCXZBL-RXMQYKEDSA-N -1 0 300.300 -0.724 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)c1nncn1C ZINC001593327164 1016861671 /nfs/dbraw/zinc/86/16/71/1016861671.db2.gz VPNDFCYPFBDKMT-SSDOTTSWSA-N -1 0 313.339 -0.109 20 0 DBADRM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](CF)C(=O)[O-] ZINC001593344696 1016863660 /nfs/dbraw/zinc/86/36/60/1016863660.db2.gz FGPYMXGYWQGTFN-NKWVEPMBSA-N -1 0 324.355 -0.046 20 0 DBADRM C[C@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)c1ncnn1C ZINC001593345895 1016864204 /nfs/dbraw/zinc/86/42/04/1016864204.db2.gz RUYIUHGOJBYTFT-ZETCQYMHSA-N -1 0 311.323 -0.052 20 0 DBADRM O=C(c1cccc(F)c1-c1nn[nH]n1)N1C[C@@H](O)[C@H](CO)C1 ZINC001593350683 1016865659 /nfs/dbraw/zinc/86/56/59/1016865659.db2.gz PSXZDHQDZGAMRB-OIBJUYFYSA-N -1 0 307.285 -0.569 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001593352930 1016865076 /nfs/dbraw/zinc/86/50/76/1016865076.db2.gz JLFLPRVIQXFGHK-SECBINFHSA-N -1 0 322.383 -0.688 20 0 DBADRM O=C(c1cnccc1-c1nn[nH]n1)N1CC[C@H](O)[C@@H](CO)C1 ZINC001593363724 1016865123 /nfs/dbraw/zinc/86/51/23/1016865123.db2.gz XTSSSKRLOQUTIL-KCJUWKMLSA-N -1 0 304.310 -0.923 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC001593352726 1016865274 /nfs/dbraw/zinc/86/52/74/1016865274.db2.gz GYHXXIIBLFBTES-XCBNKYQSSA-N -1 0 316.335 -0.428 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001593352707 1016865308 /nfs/dbraw/zinc/86/53/08/1016865308.db2.gz GCBRUAOHJITQHB-KCJUWKMLSA-N -1 0 308.356 -0.936 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CC[C@H](CO)[C@H](O)C1 ZINC001593348354 1016866045 /nfs/dbraw/zinc/86/60/45/1016866045.db2.gz UCTDMEBTXFSTLL-LDYMZIIASA-N -1 0 304.310 -0.923 20 0 DBADRM C[C@H](Nc1ccnc(C(=O)[O-])n1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001593366961 1016866196 /nfs/dbraw/zinc/86/61/96/1016866196.db2.gz JGTZXEAMWSQPPX-IUCAKERBSA-N -1 0 321.337 -0.879 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001593352931 1016866226 /nfs/dbraw/zinc/86/62/26/1016866226.db2.gz JLFLPRVIQXFGHK-VIFPVBQESA-N -1 0 322.383 -0.688 20 0 DBADRM O=C(c1cnccc1-c1nn[nH]n1)N1CC[C@H](n2cncn2)C1 ZINC001593363645 1016866326 /nfs/dbraw/zinc/86/63/26/1016866326.db2.gz WNJRWQWUWBCEPT-VIFPVBQESA-N -1 0 311.309 -0.060 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccccc1C(=O)[O-] ZINC001593352443 1016866442 /nfs/dbraw/zinc/86/64/42/1016866442.db2.gz ABLGZYFNUFUPEA-MRVPVSSYSA-N -1 0 300.336 -0.061 20 0 DBADRM O=C(NC[C@H]1CNC(=O)C1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001593385522 1016868412 /nfs/dbraw/zinc/86/84/12/1016868412.db2.gz LQAUJESLGKNWID-SSDOTTSWSA-N -1 0 302.294 -0.562 20 0 DBADRM O=C(NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cc(=O)[nH][n-]1 ZINC001593381328 1016868511 /nfs/dbraw/zinc/86/85/11/1016868511.db2.gz IEGLVRQMMPNRRJ-UHFFFAOYSA-N -1 0 311.305 -0.152 20 0 DBADRM O=C1CCCN1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)s1 ZINC001593394427 1016871040 /nfs/dbraw/zinc/87/10/40/1016871040.db2.gz JFTUXPDTGXFUNT-UHFFFAOYSA-N -1 0 314.352 -0.256 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC001418388902 1004369158 /nfs/dbraw/zinc/36/91/58/1004369158.db2.gz XFGKBMQXMZXIGT-UWVGGRQHSA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC001418386513 1004370593 /nfs/dbraw/zinc/37/05/93/1004370593.db2.gz BRRQVEDRUVGNQH-GXSJLCMTSA-N -1 0 315.333 -0.237 20 0 DBADRM C[C@@](O)(CNC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)[O-] ZINC001593399304 1016872545 /nfs/dbraw/zinc/87/25/45/1016872545.db2.gz QAACZFBEJZGGFM-GMSGAONNSA-N -1 0 314.260 -0.799 20 0 DBADRM O=C1CC[C@@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)N1 ZINC001593395777 1016872715 /nfs/dbraw/zinc/87/27/15/1016872715.db2.gz PFEQVZNQUGMJDC-LURJTMIESA-N -1 0 312.311 -0.983 20 0 DBADRM CN(CCNC(=O)[C@H]1CCCO1)Cc1cc(=O)n2[n-]ccc2n1 ZINC001418434828 1004388593 /nfs/dbraw/zinc/38/85/93/1004388593.db2.gz KIMPZSQHISQACI-GFCCVEGCSA-N -1 0 319.365 -0.250 20 0 DBADRM C[C@](O)(CNC(=O)CN1CCc2ccccc2C1=O)C(=O)[O-] ZINC001593400454 1016875092 /nfs/dbraw/zinc/87/50/92/1016875092.db2.gz FOSBDKYOHFHTCU-HNNXBMFYSA-N -1 0 306.318 -0.363 20 0 DBADRM O=C1NCCN1[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001593407814 1016878015 /nfs/dbraw/zinc/87/80/15/1016878015.db2.gz PHQGABCNLKZUSK-VIFPVBQESA-N -1 0 315.341 -0.349 20 0 DBADRM COc1cc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)nn1C ZINC001418476422 1004421818 /nfs/dbraw/zinc/42/18/18/1004421818.db2.gz SZUYVLXBXMYGGQ-UHFFFAOYSA-N -1 0 309.330 -0.886 20 0 DBADRM O=C1NCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001593406902 1016877493 /nfs/dbraw/zinc/87/74/93/1016877493.db2.gz COKIQOOMYZAYDO-LURJTMIESA-N -1 0 312.311 -0.983 20 0 DBADRM C[C@@](O)(CNC(=O)c1cnc(C2OCCO2)s1)C(=O)[O-] ZINC001593411970 1016877800 /nfs/dbraw/zinc/87/78/00/1016877800.db2.gz QTIRHXGNQCWRLD-LLVKDONJSA-N -1 0 302.308 -0.246 20 0 DBADRM C[C@@](O)(CNC(=O)c1cc(-n2ccnn2)ccc1F)C(=O)[O-] ZINC001593407662 1016878552 /nfs/dbraw/zinc/87/85/52/1016878552.db2.gz PAGXRGVPQWFHLG-CYBMUJFWSA-N -1 0 308.269 -0.028 20 0 DBADRM CCN(CCNC(=O)[C@H](C)n1cncn1)Cc1n[nH]c(=O)[n-]1 ZINC001418542395 1004467122 /nfs/dbraw/zinc/46/71/22/1004467122.db2.gz KRESVVDCBCHZOU-VIFPVBQESA-N -1 0 308.346 -0.699 20 0 DBADRM CNC(=O)C1(C(=O)NCCN(C)C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001496265573 1016880553 /nfs/dbraw/zinc/88/05/53/1016880553.db2.gz MRMRKJBRMKWITD-UHFFFAOYSA-N -1 0 323.353 -0.862 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001593419841 1016880728 /nfs/dbraw/zinc/88/07/28/1016880728.db2.gz OPJVYLYROOQHFO-NHYWBVRUSA-N -1 0 324.333 -0.699 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593432128 1016883905 /nfs/dbraw/zinc/88/39/05/1016883905.db2.gz LGFMNJBKDXURNA-HQJQHLMTSA-N -1 0 307.306 -0.006 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ccnn1C ZINC001418558249 1004476263 /nfs/dbraw/zinc/47/62/63/1004476263.db2.gz UPXZAKGDVVSPRC-UHFFFAOYSA-N -1 0 321.341 -0.732 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001593427349 1016881303 /nfs/dbraw/zinc/88/13/03/1016881303.db2.gz WKQVWMOMTYFVJP-DMSSDXNTSA-N -1 0 310.350 -0.513 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC001593427202 1016881619 /nfs/dbraw/zinc/88/16/19/1016881619.db2.gz IFJJDYCCBLZDAQ-LLVKDONJSA-N -1 0 320.345 -0.021 20 0 DBADRM C[C@H](O)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001593428246 1016881660 /nfs/dbraw/zinc/88/16/60/1016881660.db2.gz XNPWMDXXBDVXIJ-XPKQFXKASA-N -1 0 305.352 -0.706 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001593425186 1016881753 /nfs/dbraw/zinc/88/17/53/1016881753.db2.gz FOFGEQYGRCURQE-HWNAMQAFSA-N -1 0 324.377 -0.169 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001593426559 1016882335 /nfs/dbraw/zinc/88/23/35/1016882335.db2.gz SHAHWFFYXJDWOT-SCZZXKLOSA-N -1 0 300.355 -0.121 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001593433243 1016882881 /nfs/dbraw/zinc/88/28/81/1016882881.db2.gz WTPUXJMTBIJSMP-RDDDGLTNSA-N -1 0 307.306 -0.006 20 0 DBADRM C[C@@H](O)[C@H](O)CNC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001593432368 1016883101 /nfs/dbraw/zinc/88/31/01/1016883101.db2.gz MYDQMDXZSJSSGD-HTQZYQBOSA-N -1 0 300.315 -0.434 20 0 DBADRM O=S(=O)(N[C@@H](CCO)C1CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593430161 1016883120 /nfs/dbraw/zinc/88/31/20/1016883120.db2.gz JCNVTCBRLHCEQF-QMMMGPOBSA-N -1 0 313.339 -0.101 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001593433244 1016883134 /nfs/dbraw/zinc/88/31/34/1016883134.db2.gz WTPUXJMTBIJSMP-WRWORJQWSA-N -1 0 307.306 -0.006 20 0 DBADRM CN(C(=O)c1cc(S(N)(=O)=O)ccc1F)c1nnn[n-]1 ZINC001418624013 1004505310 /nfs/dbraw/zinc/50/53/10/1004505310.db2.gz SXCIUQFKUQSEAR-UHFFFAOYSA-N -1 0 300.275 -0.737 20 0 DBADRM O=S(=O)(NCC1CSC1)c1cccnc1-c1nnn[n-]1 ZINC001593434445 1016883375 /nfs/dbraw/zinc/88/33/75/1016883375.db2.gz CJYTXSZMWSUJCA-UHFFFAOYSA-N -1 0 312.380 -0.097 20 0 DBADRM C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCCCCC(=O)[O-] ZINC001593450056 1016889635 /nfs/dbraw/zinc/88/96/35/1016889635.db2.gz IHUVUZPTVNPSKI-GHMZBOCLSA-N -1 0 316.354 -0.644 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001593438534 1016885882 /nfs/dbraw/zinc/88/58/82/1016885882.db2.gz WEPDMISPURUEKZ-JGVFFNPUSA-N -1 0 303.340 -0.111 20 0 DBADRM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001593438891 1016886300 /nfs/dbraw/zinc/88/63/00/1016886300.db2.gz WTLBQTKZDUXDAS-WYUUTHIRSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H](O)[C@H](O)CNC(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC001593438906 1016886657 /nfs/dbraw/zinc/88/66/57/1016886657.db2.gz WYPWOJLIRFBDHZ-RNFRBKRXSA-N -1 0 318.355 -0.191 20 0 DBADRM C[C@H](O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CCO1 ZINC001593442217 1016887866 /nfs/dbraw/zinc/88/78/66/1016887866.db2.gz MCWVNWWNPUKKKW-CBAPKCEASA-N -1 0 305.308 -0.252 20 0 DBADRM C[C@H](O)[C@@H]1CN(CC(=O)NC2(C(=O)[O-])CCCCC2)CCO1 ZINC001593442080 1016887895 /nfs/dbraw/zinc/88/78/95/1016887895.db2.gz KPUJBQOKHYPZHW-RYUDHWBXSA-N -1 0 314.382 -0.028 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001593446533 1016889390 /nfs/dbraw/zinc/88/93/90/1016889390.db2.gz AQPNYPDLIQQPBC-BHDSKKPTSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@H](O)C[C@@H]1COCCN1C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001593448822 1016890290 /nfs/dbraw/zinc/89/02/90/1016890290.db2.gz VJHQRZIYWMNDBN-IYKVGLELSA-N -1 0 301.339 -0.137 20 0 DBADRM CC(C)[C@H](F)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001496327881 1016890907 /nfs/dbraw/zinc/89/09/07/1016890907.db2.gz IRUYFRYMKYBHKZ-ZETCQYMHSA-N -1 0 315.305 -0.535 20 0 DBADRM C[C@@H](O)CN(CCO)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001593459866 1016891139 /nfs/dbraw/zinc/89/11/39/1016891139.db2.gz TXIOMXXHJUZFDR-LLVKDONJSA-N -1 0 302.371 -0.435 20 0 DBADRM O=S(=O)(c1ccsc1-c1nnn[n-]1)N1CC[C@H](O)C1 ZINC001593459854 1016891182 /nfs/dbraw/zinc/89/11/82/1016891182.db2.gz CACJVLZWHGHUCV-LURJTMIESA-N -1 0 301.353 -0.317 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001593458965 1016891401 /nfs/dbraw/zinc/89/14/01/1016891401.db2.gz LPXFPQMKKOPHKZ-GARJFASQSA-N -1 0 309.384 -0.365 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(Cc2nnn(C)n2)C2CC2)c1[O-] ZINC001418757961 1004620426 /nfs/dbraw/zinc/62/04/26/1004620426.db2.gz LZBKQXUVVSEHFQ-UHFFFAOYSA-N -1 0 320.357 -0.658 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001593460239 1016893157 /nfs/dbraw/zinc/89/31/57/1016893157.db2.gz VPTFKTDWKSWDQH-SNVBAGLBSA-N -1 0 317.363 -0.110 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)[C@]1(F)CCOC1 ZINC001418781423 1004639627 /nfs/dbraw/zinc/63/96/27/1004639627.db2.gz MSFLWRUISLMJHL-ZDUSSCGKSA-N -1 0 313.333 -0.281 20 0 DBADRM O=S1(=O)CCCN1CCOc1cnc(-c2nnn[n-]2)nc1 ZINC001593463588 1016894717 /nfs/dbraw/zinc/89/47/17/1016894717.db2.gz RKWAGSKDLOGIRP-UHFFFAOYSA-N -1 0 311.327 -0.929 20 0 DBADRM O=c1[nH]ncc(NCCn2cnc(-c3nnn[n-]3)n2)c1Cl ZINC001593490023 1016897382 /nfs/dbraw/zinc/89/73/82/1016897382.db2.gz UFIJAELYTJJROB-UHFFFAOYSA-N -1 0 308.693 -0.281 20 0 DBADRM CCOc1cnc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)cn1 ZINC001418863712 1004691265 /nfs/dbraw/zinc/69/12/65/1004691265.db2.gz OEUFGTHHWDFXIK-VIFPVBQESA-N -1 0 305.298 -0.398 20 0 DBADRM O=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001418863791 1004691771 /nfs/dbraw/zinc/69/17/71/1004691771.db2.gz OXWALPZIZJQKOP-VIFPVBQESA-N -1 0 317.309 -0.214 20 0 DBADRM Cc1occc(=O)c1OCC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001418863262 1004692560 /nfs/dbraw/zinc/69/25/60/1004692560.db2.gz KENBBCCJBMZWPN-VIFPVBQESA-N -1 0 321.293 -0.560 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1Cc1cc2n(n1)CCCC2 ZINC001593489713 1016898550 /nfs/dbraw/zinc/89/85/50/1016898550.db2.gz XCGQMGZGDWUPBH-UHFFFAOYSA-N -1 0 314.309 -0.290 20 0 DBADRM C[C@H](OC(=O)C1(CO)COC1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593497011 1016900407 /nfs/dbraw/zinc/90/04/07/1016900407.db2.gz SZVAOTUYIWGVMC-VIFPVBQESA-N -1 0 315.322 -0.750 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCCC[C@@H]1CN1CCCC1=O ZINC001418943403 1004725519 /nfs/dbraw/zinc/72/55/19/1004725519.db2.gz CAYVMCJMDUWZMT-SNVBAGLBSA-N -1 0 323.353 -0.307 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)c1ccccc1O ZINC001496349464 1016895620 /nfs/dbraw/zinc/89/56/20/1016895620.db2.gz RGHSDYDTSGOKRC-NSHDSACASA-N -1 0 305.334 -0.141 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCCS1(=O)=O)c1cn(CC(=O)[O-])nn1 ZINC001593499425 1016901246 /nfs/dbraw/zinc/90/12/46/1016901246.db2.gz BATSBXFQYQKHCT-IONNQARKSA-N -1 0 317.323 -0.456 20 0 DBADRM O=c1[n-]c([C@@H]2CCCN(c3nccnc3-c3nn[nH]n3)C2)n[nH]1 ZINC001593498043 1016901279 /nfs/dbraw/zinc/90/12/79/1016901279.db2.gz PRUIFDDXKRAHCY-SSDOTTSWSA-N -1 0 314.313 -0.136 20 0 DBADRM Cn1nccc1COCC(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001418998285 1004755536 /nfs/dbraw/zinc/75/55/36/1004755536.db2.gz RDBLCFMMWSJAFH-UHFFFAOYSA-N -1 0 305.342 -0.144 20 0 DBADRM C[C@@H](OC(=O)CCn1ncn(C)c1=O)C(=O)C(C)(C)C(=O)[O-] ZINC001593528652 1016907146 /nfs/dbraw/zinc/90/71/46/1016907146.db2.gz ZCXZSOUNUZCXDQ-MRVPVSSYSA-N -1 0 313.310 -0.417 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)NCC(=O)[O-] ZINC001593513402 1016905525 /nfs/dbraw/zinc/90/55/25/1016905525.db2.gz FBPMHVOJVSACGG-YUMQZZPRSA-N -1 0 310.310 -0.948 20 0 DBADRM C[C@@H](OC(=O)CCCN1C(=O)CN(C)C1=O)C(=O)C(=O)[O-] ZINC001593513588 1016906036 /nfs/dbraw/zinc/90/60/36/1016906036.db2.gz CKWLFLFPMGNGKO-SSDOTTSWSA-N -1 0 300.267 -0.754 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001419067535 1004797561 /nfs/dbraw/zinc/79/75/61/1004797561.db2.gz LHXPBVZWWHDPBX-SECBINFHSA-N -1 0 324.385 -0.542 20 0 DBADRM O=C(CCc1ncccn1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001419091394 1004804509 /nfs/dbraw/zinc/80/45/09/1004804509.db2.gz FWTZPZYBECXUSQ-SNVBAGLBSA-N -1 0 317.353 -0.376 20 0 DBADRM CC[C@H](F)C(=O)NCCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001496405641 1016908070 /nfs/dbraw/zinc/90/80/70/1016908070.db2.gz VDGPAKIWOPRJFU-JTQLQIEISA-N -1 0 323.328 -0.041 20 0 DBADRM C[C@H](OC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)C(=O)[O-] ZINC001593528483 1016908113 /nfs/dbraw/zinc/90/81/13/1016908113.db2.gz WEBXAWXFOBPELY-CIUDSAMLSA-N -1 0 311.290 -0.253 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)C1CN(S(C)(=O)=O)C1 ZINC001419136044 1004816783 /nfs/dbraw/zinc/81/67/83/1004816783.db2.gz JDONTYJSECQLCC-UHFFFAOYSA-N -1 0 316.387 -0.924 20 0 DBADRM O=C(N[C@H](CO)CC1OCCO1)c1ccc2oc(=O)nc-2[n-]1 ZINC001419153269 1004821927 /nfs/dbraw/zinc/82/19/27/1004821927.db2.gz WYLRKVIABIODQJ-ZETCQYMHSA-N -1 0 309.278 -0.218 20 0 DBADRM CS(=O)(=O)c1ccccc1CCNC(=O)CCc1nnn[n-]1 ZINC001419371102 1004863905 /nfs/dbraw/zinc/86/39/05/1004863905.db2.gz LJXKXOIFSDKKQB-UHFFFAOYSA-N -1 0 323.378 -0.105 20 0 DBADRM C[C@H](OC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)N1CCCCC1 ZINC001593542635 1016916718 /nfs/dbraw/zinc/91/67/18/1016916718.db2.gz TYVOSXDKZWHKDL-VIFPVBQESA-N -1 0 310.310 -0.080 20 0 DBADRM c1cc(NCc2noc3c2COCC3)nc(-c2nnn[n-]2)n1 ZINC001593560832 1016921325 /nfs/dbraw/zinc/92/13/25/1016921325.db2.gz IIYYOJNJDSTKLI-UHFFFAOYSA-N -1 0 300.282 -0.249 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21)c1nnn[n-]1 ZINC001419553938 1004898300 /nfs/dbraw/zinc/89/83/00/1004898300.db2.gz NOXWPEPVKZJHBO-DBIOUOCHSA-N -1 0 322.369 -0.302 20 0 DBADRM COC[C@H](NC(=O)c1cccc2c1NC(=O)CO2)c1nnn[n-]1 ZINC001419557172 1004899212 /nfs/dbraw/zinc/89/92/12/1004899212.db2.gz VFAIXBLDLSXRLZ-QMMMGPOBSA-N -1 0 318.293 -0.352 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001419558112 1004899696 /nfs/dbraw/zinc/89/96/96/1004899696.db2.gz VEGBVKKBQDXZCP-VHSXEESVSA-N -1 0 313.358 -0.748 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(N2CCCC2)nn1)c1nnn[n-]1 ZINC001419560065 1004900576 /nfs/dbraw/zinc/90/05/76/1004900576.db2.gz ZDYGGNTXSVMVRH-SNVBAGLBSA-N -1 0 318.341 -0.293 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCC(=O)O1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593548582 1016917724 /nfs/dbraw/zinc/91/77/24/1016917724.db2.gz YOISIUIYLCZOHI-WCBMZHEXSA-N -1 0 313.306 -0.053 20 0 DBADRM C[C@H](OC(=O)Cn1cc(C(=O)[O-])cn1)C(=O)NC(=O)NC1CC1 ZINC001593541715 1016919536 /nfs/dbraw/zinc/91/95/36/1016919536.db2.gz KLHREKFRXDKWHM-ZETCQYMHSA-N -1 0 324.293 -0.499 20 0 DBADRM C[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(=O)NC[C@H]1CCCO1 ZINC001593547408 1016920118 /nfs/dbraw/zinc/92/01/18/1016920118.db2.gz NMUZIZRRRYCUDS-ZRUFSTJUSA-N -1 0 315.322 -0.155 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNCc2cn(C)nn2)c1[O-] ZINC001419666075 1004934070 /nfs/dbraw/zinc/93/40/70/1004934070.db2.gz ZQVUFLPVDBHXEA-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@@H](OC(=O)c1ccc(C(N)=O)nc1)c1cn(CC(=O)[O-])nn1 ZINC001593578838 1016925361 /nfs/dbraw/zinc/92/53/61/1016925361.db2.gz LPWZRQRAVYZXDU-SSDOTTSWSA-N -1 0 319.277 -0.225 20 0 DBADRM C[C@@H](OC(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)NC(N)=O ZINC001593583721 1016926414 /nfs/dbraw/zinc/92/64/14/1016926414.db2.gz ADHQDTCVGIHHAD-SSDOTTSWSA-N -1 0 310.262 -0.110 20 0 DBADRM c1cc(N[C@@H]2CCO[C@@]3(CCOC3)C2)nc(-c2nnn[n-]2)n1 ZINC001593559472 1016922717 /nfs/dbraw/zinc/92/27/17/1016922717.db2.gz ZDLIJYVWBJAYPJ-RNCFNFMXSA-N -1 0 303.326 -0.171 20 0 DBADRM C[C@@H](OC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C(=O)C(=O)[O-] ZINC001593579092 1016923777 /nfs/dbraw/zinc/92/37/77/1016923777.db2.gz SPUFZVKFAYPQIR-RXMQYKEDSA-N -1 0 319.266 -0.328 20 0 DBADRM c1cc(N2CCN(c3ccnc(-c4nnn[n-]4)n3)CC2)cnn1 ZINC001593558477 1016924339 /nfs/dbraw/zinc/92/43/39/1016924339.db2.gz GMMVUYYVIXKCHO-UHFFFAOYSA-N -1 0 310.325 -0.227 20 0 DBADRM C[C@@H](OC(=O)c1ccccc1NCCO)C(=O)NCC(=O)[O-] ZINC001593592843 1016929832 /nfs/dbraw/zinc/92/98/32/1016929832.db2.gz ZLDIDDDGQWTKEZ-SECBINFHSA-N -1 0 310.306 -0.163 20 0 DBADRM Cc1nc(CC2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)no1 ZINC001419950416 1005026862 /nfs/dbraw/zinc/02/68/62/1005026862.db2.gz DEIMSWXCPILTNW-UHFFFAOYSA-N -1 0 322.325 -0.138 20 0 DBADRM C[C@H](OCC1CC1)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001593603716 1016930607 /nfs/dbraw/zinc/93/06/07/1016930607.db2.gz DIIKDKIDHGXLAR-WCBMZHEXSA-N -1 0 305.352 -0.488 20 0 DBADRM C[C@@H](OCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])c1nccn1C ZINC001593604864 1016931176 /nfs/dbraw/zinc/93/11/76/1016931176.db2.gz WMCOZPQMATUWLG-NXEZZACHSA-N -1 0 324.337 -0.701 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001593606042 1016932521 /nfs/dbraw/zinc/93/25/21/1016932521.db2.gz HUFFYUHRUCHFHX-QCNOEVLYSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001593606549 1016933019 /nfs/dbraw/zinc/93/30/19/1016933019.db2.gz RSWWANNDEITJMU-WDEREUQCSA-N -1 0 316.354 -0.332 20 0 DBADRM C[C@@H](C(N)=O)N(C)CCN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001420039564 1005057477 /nfs/dbraw/zinc/05/74/77/1005057477.db2.gz OBCTXYVBDBGDMG-QMMMGPOBSA-N -1 0 321.337 -0.194 20 0 DBADRM C[C@@]1(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCNC1=O ZINC001593748444 1016935090 /nfs/dbraw/zinc/93/50/90/1016935090.db2.gz SPRPTJFMXLWULY-YMTOWFKASA-N -1 0 321.337 -0.334 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001593685521 1016935560 /nfs/dbraw/zinc/93/55/60/1016935560.db2.gz YJDCCQZNIUBOCX-HLTSFMKQSA-N -1 0 314.367 -0.004 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC001593747199 1016935616 /nfs/dbraw/zinc/93/56/16/1016935616.db2.gz YNCXXUIDBCBGGL-UHFFFAOYSA-N -1 0 305.294 -0.235 20 0 DBADRM C[C@@]1(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CCC(=O)NC1 ZINC001593748680 1016935731 /nfs/dbraw/zinc/93/57/31/1016935731.db2.gz BNGSFYYMXUQNMB-LKFCYVNXSA-N -1 0 314.338 -0.375 20 0 DBADRM C[C@]1(C(=O)NC[C@H](CO)Nc2ccnc(C(=O)[O-])n2)C=CCC1 ZINC001593748763 1016935738 /nfs/dbraw/zinc/93/57/38/1016935738.db2.gz BKPTZHRZYXGHPN-BMIGLBTASA-N -1 0 320.349 -0.158 20 0 DBADRM C[C@H](c1ccccc1)[C@](C)(O)C(=O)NCC(=O)NCC(=O)[O-] ZINC001593705349 1016935965 /nfs/dbraw/zinc/93/59/65/1016935965.db2.gz GNHCTWGRJMIJDC-BMIGLBTASA-N -1 0 308.334 -0.142 20 0 DBADRM C[C@H](c1nc(C(=O)[O-])co1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001593730618 1016936165 /nfs/dbraw/zinc/93/61/65/1016936165.db2.gz QJAGFEAMSGDPHU-SFYZADRCSA-N -1 0 316.339 -0.732 20 0 DBADRM C[C@@]1(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCNC(=O)C1 ZINC001593745256 1016936667 /nfs/dbraw/zinc/93/66/67/1016936667.db2.gz IFPADLUCOMGAIZ-YMTOWFKASA-N -1 0 321.337 -0.334 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@H]2CCO[C@@H]21 ZINC001593832326 1016941535 /nfs/dbraw/zinc/94/15/35/1016941535.db2.gz BRVYAGBXFPCMOA-XAVMHZPKSA-N -1 0 302.302 -0.545 20 0 DBADRM CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)c1ncccc1O ZINC001420111367 1005091245 /nfs/dbraw/zinc/09/12/45/1005091245.db2.gz ILCSOICZAUFMKP-LLVKDONJSA-N -1 0 320.353 -0.721 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)C1 ZINC001593802965 1016941028 /nfs/dbraw/zinc/94/10/28/1016941028.db2.gz RUFNPDGBFUZWQV-NSHDSACASA-N -1 0 324.308 -0.151 20 0 DBADRM Cc1c[nH]c(C2(NC(=O)CCc3nnn[n-]3)CCOCC2)n1 ZINC001420181729 1005137438 /nfs/dbraw/zinc/13/74/38/1005137438.db2.gz CBXKGCCTEPKXNP-UHFFFAOYSA-N -1 0 305.342 -0.014 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@@H]2CCO[C@H]21 ZINC001593832325 1016941226 /nfs/dbraw/zinc/94/12/26/1016941226.db2.gz BRVYAGBXFPCMOA-RBXMUDONSA-N -1 0 302.302 -0.545 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[C@@H]2CCO[C@@H]21 ZINC001593832828 1016941279 /nfs/dbraw/zinc/94/12/79/1016941279.db2.gz KGJUHBHRCIVKKX-HWUMTFDVSA-N -1 0 310.350 -0.105 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC001593805061 1016941444 /nfs/dbraw/zinc/94/14/44/1016941444.db2.gz RZIIXJHMVHNOEX-UHFFFAOYSA-N -1 0 303.274 -0.237 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC001593803060 1016941867 /nfs/dbraw/zinc/94/18/67/1016941867.db2.gz YOYWWOPWLBDJKL-AWEZNQCLSA-N -1 0 309.322 -0.360 20 0 DBADRM C[C@]1(C(N)=O)CC[N@H+](CC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001593815402 1016942217 /nfs/dbraw/zinc/94/22/17/1016942217.db2.gz MBCUEIRPJFYULL-AWEZNQCLSA-N -1 0 306.322 -0.084 20 0 DBADRM C[C@@]1(CCNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C[C@@]1(F)Cl ZINC001594007153 1016949005 /nfs/dbraw/zinc/94/90/05/1016949005.db2.gz VOYGPMZAGJQBJI-PWSUYJOCSA-N -1 0 322.720 -0.535 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594031999 1016948868 /nfs/dbraw/zinc/94/88/68/1016948868.db2.gz KIYDZDRUTQBBNQ-LKFCYVNXSA-N -1 0 309.322 -0.464 20 0 DBADRM CC1(C)CCC[C@@H](CNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001593887086 1016943391 /nfs/dbraw/zinc/94/33/91/1016943391.db2.gz XZXNCBXFIBDFFP-SNVBAGLBSA-N -1 0 312.366 -0.023 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1cncc(F)c1 ZINC001420259499 1005175495 /nfs/dbraw/zinc/17/54/95/1005175495.db2.gz KZLZOWZFSSYVSN-UHFFFAOYSA-N -1 0 322.300 -0.321 20 0 DBADRM CC1(CC(=O)N2CC(O)(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001593996022 1016946101 /nfs/dbraw/zinc/94/61/01/1016946101.db2.gz FCSHTGQOBVJKGG-VHSXEESVSA-N -1 0 310.350 -0.413 20 0 DBADRM C[C@]1(CCC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CCC(=O)N1 ZINC001594000112 1016946365 /nfs/dbraw/zinc/94/63/65/1016946365.db2.gz ZQMRCDLYZBDZGV-ZANVPECISA-N -1 0 309.326 -0.704 20 0 DBADRM C[C@]1(CCC(=O)[O-])NC(=O)N(C[C@@H]2C[C@@H]3COC[C@H]3O2)C1=O ZINC001594002308 1016946517 /nfs/dbraw/zinc/94/65/17/1016946517.db2.gz KDPBKOKWSMNELD-QOBXEIRBSA-N -1 0 312.322 -0.034 20 0 DBADRM C[C@]1(CCCC(=O)NCc2ocnc2C(=O)[O-])NC(=O)NC1=O ZINC001594000432 1016946581 /nfs/dbraw/zinc/94/65/81/1016946581.db2.gz ASUMNBHDJQDFPD-CYBMUJFWSA-N -1 0 324.293 -0.243 20 0 DBADRM C[C@@]1(C2CCN(c3ncncc3C(=O)[O-])CC2)NC(=O)NC1=O ZINC001593994000 1016946835 /nfs/dbraw/zinc/94/68/35/1016946835.db2.gz DUUVJPIKWWIJBV-AWEZNQCLSA-N -1 0 319.321 -0.011 20 0 DBADRM CC1(CC(=O)N2CC(CCO)(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001593995989 1016946994 /nfs/dbraw/zinc/94/69/94/1016946994.db2.gz CSXNAAMJAISKMQ-WDEREUQCSA-N -1 0 324.377 -0.023 20 0 DBADRM CC1(CC(=O)N2CC(CCO)(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001593995988 1016947557 /nfs/dbraw/zinc/94/75/57/1016947557.db2.gz CSXNAAMJAISKMQ-QWRGUYRKSA-N -1 0 324.377 -0.023 20 0 DBADRM CC1(C)OC[C@H](/C=C/C(=O)NCCn2cc(C(=O)[O-])nn2)O1 ZINC001593980978 1016947715 /nfs/dbraw/zinc/94/77/15/1016947715.db2.gz QDLDGXKNUPALHH-NWALNABHSA-N -1 0 310.310 -0.200 20 0 DBADRM CC1(CC(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001593996020 1016947864 /nfs/dbraw/zinc/94/78/64/1016947864.db2.gz FCSHTGQOBVJKGG-NXEZZACHSA-N -1 0 310.350 -0.413 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1ccc(C)nn1 ZINC001594011467 1016949517 /nfs/dbraw/zinc/94/95/17/1016949517.db2.gz GNCBNCFRDUXHAZ-UHFFFAOYSA-N -1 0 303.340 -0.103 20 0 DBADRM CC1=C(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)Cn2nnnc2N1C ZINC001594090388 1016955351 /nfs/dbraw/zinc/95/53/51/1016955351.db2.gz LJNICLBRCCVOLA-BDAKNGLRSA-N -1 0 306.326 -0.282 20 0 DBADRM CC1(CNC(=O)COCc2ocnc2C(=O)[O-])OCCO1 ZINC001594015852 1016950098 /nfs/dbraw/zinc/95/00/98/1016950098.db2.gz XRAPGLRYJUCLHH-UHFFFAOYSA-N -1 0 300.267 -0.231 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1(F)F ZINC001594011951 1016950127 /nfs/dbraw/zinc/95/01/27/1016950127.db2.gz APNCKRAJEAQISI-PRHODGIISA-N -1 0 320.292 -0.150 20 0 DBADRM CC1(CCNC(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CC1 ZINC001594006236 1016950393 /nfs/dbraw/zinc/95/03/93/1016950393.db2.gz GPACKHQPTPFHOO-NSHDSACASA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@@]1(CCCC(=O)N[C@]2(C(=O)[O-])CCOC2)NC(=O)NC1=O ZINC001594002945 1016950716 /nfs/dbraw/zinc/95/07/16/1016950716.db2.gz YZRWZHJTQQQTNE-QWHCGFSZSA-N -1 0 313.310 -0.885 20 0 DBADRM C[C@]1(CO)CCCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001594032044 1016950745 /nfs/dbraw/zinc/95/07/45/1016950745.db2.gz LPURGQADXBXWDU-AWEZNQCLSA-N -1 0 315.370 -0.229 20 0 DBADRM CN(CCNC(=O)c1noc2c1COCC2)Cc1n[nH]c(=O)[n-]1 ZINC001420354594 1005228576 /nfs/dbraw/zinc/22/85/76/1005228576.db2.gz WSRZQKLYOUMTRN-UHFFFAOYSA-N -1 0 322.325 -0.567 20 0 DBADRM C[C@]1(CO)C[C@@H](O)CN1S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001594032621 1016951666 /nfs/dbraw/zinc/95/16/66/1016951666.db2.gz RCEOSQWWVIFETH-PRHODGIISA-N -1 0 316.335 -0.714 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])CC(=O)N1CCC1 ZINC001420378976 1005237161 /nfs/dbraw/zinc/23/71/61/1005237161.db2.gz VFXPTNLAKUYGRK-UHFFFAOYSA-N -1 0 309.370 -0.292 20 0 DBADRM CCN(CCNC(=O)c1nccc(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001420383352 1005238620 /nfs/dbraw/zinc/23/86/20/1005238620.db2.gz PGGXPGPFGLHMIZ-UHFFFAOYSA-N -1 0 305.342 -0.139 20 0 DBADRM C[C@]1(CS(=O)(=O)N[C@H](CO)C(=O)[O-])CC1(Cl)Cl ZINC001594039041 1016952297 /nfs/dbraw/zinc/95/22/97/1016952297.db2.gz IDERTMZYRFFLAM-IYSWYEEDSA-N -1 0 306.167 -0.065 20 0 DBADRM C[C@]1(CNc2ncc(C(=O)[O-])cn2)CCN(C(=O)C(N)=O)C1 ZINC001594032587 1016952706 /nfs/dbraw/zinc/95/27/06/1016952706.db2.gz QFTTWPRVNOYTLT-CYBMUJFWSA-N -1 0 307.310 -0.689 20 0 DBADRM C[C@]1(NC(=O)Nc2ccc(C(=O)[O-])nn2)CCS(=O)(=O)C1 ZINC001594057100 1016952997 /nfs/dbraw/zinc/95/29/97/1016952997.db2.gz JFCGRMLLXYOAGA-NSHDSACASA-N -1 0 314.323 -0.127 20 0 DBADRM CCN(CCNC(=O)CCn1ccnc1)Cc1n[nH]c(=O)[n-]1 ZINC001420409806 1005249858 /nfs/dbraw/zinc/24/98/58/1005249858.db2.gz BBUSNPAOEFSHHK-UHFFFAOYSA-N -1 0 307.358 -0.265 20 0 DBADRM C[C@@]1(CO)C[C@H](O)CN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001594033119 1016953703 /nfs/dbraw/zinc/95/37/03/1016953703.db2.gz VIEHIIHDXKPNMH-CABZTGNLSA-N -1 0 316.335 -0.714 20 0 DBADRM C[C@@]1(Cn2nnnc2N2CCO[C@@H](C(=O)[O-])C2)CCCCO1 ZINC001594044879 1016953874 /nfs/dbraw/zinc/95/38/74/1016953874.db2.gz HBCUBOGQDZGBRO-MFKMUULPSA-N -1 0 311.342 -0.078 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001594032623 1016954113 /nfs/dbraw/zinc/95/41/13/1016954113.db2.gz RCEOSQWWVIFETH-QPUJVOFHSA-N -1 0 316.335 -0.714 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001594033097 1016954149 /nfs/dbraw/zinc/95/41/49/1016954149.db2.gz UTXIYQRYDPPUSO-RMLUDKJBSA-N -1 0 324.337 -0.123 20 0 DBADRM C[C@@]1(CCNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)CC1(F)F ZINC001594007381 1016949043 /nfs/dbraw/zinc/94/90/43/1016949043.db2.gz ZDAIUIVVKPMPBL-SNVBAGLBSA-N -1 0 306.265 -0.804 20 0 DBADRM C[C@]1(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)CCC(=O)N1 ZINC001594028211 1016949122 /nfs/dbraw/zinc/94/91/22/1016949122.db2.gz XIYTUUFIJDOHMD-LLVKDONJSA-N -1 0 304.368 -0.171 20 0 DBADRM C[C@@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CCCC(=O)N1C ZINC001420507316 1005284308 /nfs/dbraw/zinc/28/43/08/1005284308.db2.gz OPFWJMPPEPTPQK-DTWKUNHWSA-N -1 0 310.358 -0.885 20 0 DBADRM CC1=CCCN(C(=O)C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001594113969 1016959432 /nfs/dbraw/zinc/95/94/32/1016959432.db2.gz WLRMZLQNHCSZII-UHFFFAOYSA-N -1 0 311.338 -0.738 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])C1=O ZINC001594108157 1016959547 /nfs/dbraw/zinc/95/95/47/1016959547.db2.gz BJDVVXPFNHPFNI-ZYHUDNBSSA-N -1 0 324.333 -0.482 20 0 DBADRM Cc1cnn(CC(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001420522172 1005289882 /nfs/dbraw/zinc/28/98/82/1005289882.db2.gz RAVOMUJUMCKEBX-NSHDSACASA-N -1 0 319.369 -0.346 20 0 DBADRM CC1=NO[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1 ZINC001594113107 1016959561 /nfs/dbraw/zinc/95/95/61/1016959561.db2.gz DNKAPTQDBWXJQU-IUCAKERBSA-N -1 0 304.324 -0.749 20 0 DBADRM C[C@@H]1C(=O)CC[C@@H]1CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594122774 1016959576 /nfs/dbraw/zinc/95/95/76/1016959576.db2.gz QSDLCNXXBPKFBU-IVZWLZJFSA-N -1 0 317.363 -0.298 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001594113846 1016959767 /nfs/dbraw/zinc/95/97/67/1016959767.db2.gz NSVRSEPEMUYOGQ-VIFPVBQESA-N -1 0 320.305 -0.825 20 0 DBADRM CC1=C(C(=O)[O-])C[C@H](CN(C)Cc2nnc3n2CCNC3=O)O1 ZINC001594100492 1016959880 /nfs/dbraw/zinc/95/98/80/1016959880.db2.gz QECBXZSPSXPKOP-SECBINFHSA-N -1 0 321.337 -0.399 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCN1CCCC1=O ZINC001594137144 1016960708 /nfs/dbraw/zinc/96/07/08/1016960708.db2.gz BSJJXKHERYGVME-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001594125284 1016962759 /nfs/dbraw/zinc/96/27/59/1016962759.db2.gz IIUYFIXRRXBEBN-ZETCQYMHSA-N -1 0 302.308 -0.171 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001594125020 1016961424 /nfs/dbraw/zinc/96/14/24/1016961424.db2.gz GMJMTAKOPXCEBW-SSDOTTSWSA-N -1 0 302.308 -0.171 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N(C)CC(C)(C)CO ZINC001594134646 1016961585 /nfs/dbraw/zinc/96/15/85/1016961585.db2.gz BOXFFSKWHWYMIC-NXEZZACHSA-N -1 0 300.355 -0.215 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001420573139 1005308774 /nfs/dbraw/zinc/30/87/74/1005308774.db2.gz UESXTXHBDBZOKU-VIFPVBQESA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001420600916 1005316835 /nfs/dbraw/zinc/31/68/35/1005316835.db2.gz KZHAOCQOLGTBSM-ZJUUUORDSA-N -1 0 324.385 -0.685 20 0 DBADRM C[C@]12COC[C@H]1CN(C(=O)C(=O)NC1CC(CC(=O)[O-])C1)C2 ZINC001594088575 1016955689 /nfs/dbraw/zinc/95/56/89/1016955689.db2.gz QZIJOGGMIKAPIQ-IBDDOAPXSA-N -1 0 310.350 -0.149 20 0 DBADRM CC1(c2ncc(C(=O)N[C@@H](CO)C(=O)[O-])s2)OCCO1 ZINC001594081645 1016956182 /nfs/dbraw/zinc/95/61/82/1016956182.db2.gz QSHQXBYHLSKDOZ-LURJTMIESA-N -1 0 302.308 -0.462 20 0 DBADRM C[C@]1(O)CCCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001594065499 1016956271 /nfs/dbraw/zinc/95/62/71/1016956271.db2.gz YPGFPZLRQHUVDH-HZMBPMFUSA-N -1 0 314.338 -0.938 20 0 DBADRM C[C@]12CCC(=O)N1[C@H](C(=O)N[C@H]1CCO[C@H]1C(=O)[O-])CS2 ZINC001594085856 1016957069 /nfs/dbraw/zinc/95/70/69/1016957069.db2.gz QIGCLAASSRNUES-YEGAWUFVSA-N -1 0 314.363 -0.201 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)NCCSCC(=O)[O-] ZINC001594120290 1016958230 /nfs/dbraw/zinc/95/82/30/1016958230.db2.gz CYCKCJMFNMFALF-UHFFFAOYSA-N -1 0 321.380 -0.545 20 0 DBADRM CC1=C(C(=O)N2CCOC[C@H]2CC(=O)[O-])Cn2nnnc2N1C ZINC001594092483 1016958371 /nfs/dbraw/zinc/95/83/71/1016958371.db2.gz UFNIRCODQKSNCG-SECBINFHSA-N -1 0 322.325 -0.901 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001594129027 1016962851 /nfs/dbraw/zinc/96/28/51/1016962851.db2.gz BBVZVJBWRUANOF-YHAQOWFVSA-N -1 0 323.349 -0.953 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@H](C(C)(C)O)C1 ZINC001594138247 1016963642 /nfs/dbraw/zinc/96/36/42/1016963642.db2.gz IXUAVSAERLYHMD-VWYCJHECSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001594139778 1016966116 /nfs/dbraw/zinc/96/61/16/1016966116.db2.gz VSCNZLKMERTZOP-IEBDPFPHSA-N -1 0 320.349 -0.295 20 0 DBADRM COc1cncnc1NC(=O)C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001594154673 1016966938 /nfs/dbraw/zinc/96/69/38/1016966938.db2.gz AJMVSOMDQCGAMJ-ZETCQYMHSA-N -1 0 308.294 -0.112 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC001594140728 1016967187 /nfs/dbraw/zinc/96/71/87/1016967187.db2.gz GYHRWVHBGQGCFZ-SFYZADRCSA-N -1 0 320.305 -0.559 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCCCN1C(=O)CNC1=O ZINC001594149731 1016968840 /nfs/dbraw/zinc/96/88/40/1016968840.db2.gz NFOCLJRPLAATSV-BDAKNGLRSA-N -1 0 312.326 -0.567 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC001594147506 1016968972 /nfs/dbraw/zinc/96/89/72/1016968972.db2.gz PYWXJFSCMHDCNQ-VWYCJHECSA-N -1 0 318.395 -0.573 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC001594144848 1016969060 /nfs/dbraw/zinc/96/90/60/1016969060.db2.gz GWJOLWDBGNXWMW-IPFDCLDFSA-N -1 0 321.333 -0.581 20 0 DBADRM COc1nn(C)cc1NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001594160837 1016969869 /nfs/dbraw/zinc/96/98/69/1016969869.db2.gz CXEHYWXNOWXRFJ-UHFFFAOYSA-N -1 0 306.278 -0.073 20 0 DBADRM CS(=O)(=O)CCN1CCC(NC(=O)C2(C(=O)[O-])CC2)CC1 ZINC001594165563 1016972766 /nfs/dbraw/zinc/97/27/66/1016972766.db2.gz VCJZJEAKOLZZBW-UHFFFAOYSA-N -1 0 318.395 -0.524 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)NC2(C(=O)[O-])CCOCC2)CC1 ZINC001594163349 1016970449 /nfs/dbraw/zinc/97/04/49/1016970449.db2.gz BCNOEMDOOQAJTA-UHFFFAOYSA-N -1 0 319.379 -0.049 20 0 DBADRM COc1ncc(/C=C\C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001594156966 1016971275 /nfs/dbraw/zinc/97/12/75/1016971275.db2.gz JFASYTYRLPGFLO-ZMWSMAPVSA-N -1 0 321.289 -0.273 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001594159826 1016971899 /nfs/dbraw/zinc/97/18/99/1016971899.db2.gz YJVSZCWBKNGBCM-RKDXNWHRSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1coc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1=O ZINC001594155182 1016971938 /nfs/dbraw/zinc/97/19/38/1016971938.db2.gz SIJZBQLIAGCLRU-XLKFXECMSA-N -1 0 309.274 -0.178 20 0 DBADRM CS(=O)(=O)CC1(C(=O)NCCCCCC(=O)[O-])COC1 ZINC001594163865 1016973134 /nfs/dbraw/zinc/97/31/34/1016973134.db2.gz MNYRCGJCUYSXIC-UHFFFAOYSA-N -1 0 307.368 -0.191 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(C(=O)[C@@H](C(=O)[O-])C2CC2)CCO1 ZINC001594165340 1016973206 /nfs/dbraw/zinc/97/32/06/1016973206.db2.gz PRWUNYRNAWNFRA-UWVGGRQHSA-N -1 0 305.352 -0.631 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001594164394 1016974057 /nfs/dbraw/zinc/97/40/57/1016974057.db2.gz UXHGMBHGNIUIHN-CABZTGNLSA-N -1 0 305.352 -0.487 20 0 DBADRM Cc1conc1C(=O)NC[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)C(C)C ZINC001496629814 1016975162 /nfs/dbraw/zinc/97/51/62/1016975162.db2.gz LVRFAZVONXITFN-SNVBAGLBSA-N -1 0 322.369 -0.051 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)C1(C(=O)[O-])CC1 ZINC001594169660 1016975315 /nfs/dbraw/zinc/97/53/15/1016975315.db2.gz CRVVMQRHIOEJAY-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CS(=O)(=O)NCCOC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001594169435 1016975614 /nfs/dbraw/zinc/97/56/14/1016975614.db2.gz MSDFIZHSGAYACP-UHFFFAOYSA-N -1 0 309.340 -0.650 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CON2C[C@H](C(=O)[O-])CC2=O)C1 ZINC001594169881 1016975638 /nfs/dbraw/zinc/97/56/38/1016975638.db2.gz LFOWJNRVVHCNHK-RKDXNWHRSA-N -1 0 306.340 -0.867 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001594169700 1016976022 /nfs/dbraw/zinc/97/60/22/1016976022.db2.gz GFQZDVUJLMRUNW-UTLUCORTSA-N -1 0 304.368 -0.220 20 0 DBADRM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)CCCC(=O)[O-] ZINC001594169953 1016976194 /nfs/dbraw/zinc/97/61/94/1016976194.db2.gz FHOLQNAOJUFQEY-SECBINFHSA-N -1 0 308.356 -0.982 20 0 DBADRM CC(C)[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ccon1 ZINC001496630832 1016976231 /nfs/dbraw/zinc/97/62/31/1016976231.db2.gz ZJCGQLTZNPTIKP-SNVBAGLBSA-N -1 0 324.341 -0.392 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](COC(=O)COCC(=O)[O-])C1 ZINC001594169847 1016976251 /nfs/dbraw/zinc/97/62/51/1016976251.db2.gz KPSPQYSLEFIONF-VIFPVBQESA-N -1 0 309.340 -0.698 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001594167995 1016976599 /nfs/dbraw/zinc/97/65/99/1016976599.db2.gz MUFLOCNYQXFDAS-BXKDBHETSA-N -1 0 320.367 -0.982 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001594170262 1016976675 /nfs/dbraw/zinc/97/66/75/1016976675.db2.gz VRLVALRRJKAYKR-AOOOYVTPSA-N -1 0 319.383 -0.474 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001594170249 1016976783 /nfs/dbraw/zinc/97/67/83/1016976783.db2.gz JNIAAOSGPMXEQO-AXFHLTTASA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001594167651 1016977201 /nfs/dbraw/zinc/97/72/01/1016977201.db2.gz DCYHNKPMXNTZDJ-LPEHRKFASA-N -1 0 304.368 -0.505 20 0 DBADRM CS(=O)(=O)Cc1nc(C(=O)N2CCC[C@@H]2C(=O)[O-])co1 ZINC001594167923 1016977361 /nfs/dbraw/zinc/97/73/61/1016977361.db2.gz JLUSRYFLZLUQKI-MRVPVSSYSA-N -1 0 302.308 -0.092 20 0 DBADRM CS(=O)(=O)c1cc(OCC(=O)NCC(=O)[O-])ccc1F ZINC001594171979 1016979154 /nfs/dbraw/zinc/97/91/54/1016979154.db2.gz FJTGQEYESSETQN-UHFFFAOYSA-N -1 0 305.283 -0.191 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)c1cnc(C(=O)[O-])cn1 ZINC001594178027 1016978622 /nfs/dbraw/zinc/97/86/22/1016978622.db2.gz FOPCYCALQDTBGT-UHFFFAOYSA-N -1 0 300.296 -0.841 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001594178213 1016979690 /nfs/dbraw/zinc/97/96/90/1016979690.db2.gz HQROOTLNUUWJGT-HZNYWTHISA-N -1 0 302.396 -0.380 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001594170531 1016979737 /nfs/dbraw/zinc/97/97/37/1016979737.db2.gz PRIFOXQWTVHDLW-GUBZILKMSA-N -1 0 319.383 -0.427 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCCOCC(=O)[O-] ZINC001594178174 1016979771 /nfs/dbraw/zinc/97/97/71/1016979771.db2.gz DIZWKHVMILNUEN-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1nnnn1C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001594174950 1016980159 /nfs/dbraw/zinc/98/01/59/1016980159.db2.gz UCOWYIUWZDFTDB-OOCWMUITSA-N -1 0 323.353 -0.224 20 0 DBADRM C[C@H](C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1)n1cccn1 ZINC001496658813 1016985072 /nfs/dbraw/zinc/98/50/72/1016985072.db2.gz HFJUYTQXGPDVAI-SNVBAGLBSA-N -1 0 307.358 -0.142 20 0 DBADRM CSCC[C@H](NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)C(N)=O ZINC001594185986 1016981204 /nfs/dbraw/zinc/98/12/04/1016981204.db2.gz AZCURFNMFCIXAK-UTLUCORTSA-N -1 0 318.395 -0.021 20 0 DBADRM CSCC[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C(=O)N(C)C ZINC001594186400 1016981332 /nfs/dbraw/zinc/98/13/32/1016981332.db2.gz LRHXQMFVRYHXDM-CBAPKCEASA-N -1 0 317.367 -0.458 20 0 DBADRM CSc1nnc(CNC(=O)C(=O)N(C)CCC(=O)[O-])s1 ZINC001594198973 1016985119 /nfs/dbraw/zinc/98/51/19/1016985119.db2.gz SFKPHPPLZAIASM-UHFFFAOYSA-N -1 0 318.380 -0.191 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594179991 1016982117 /nfs/dbraw/zinc/98/21/17/1016982117.db2.gz UUHNLSIGJKOJAR-ONGNITBBSA-N -1 0 322.364 -0.097 20 0 DBADRM C[C@H]1[C@H](CO)CCCN1C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594188419 1016982129 /nfs/dbraw/zinc/98/21/29/1016982129.db2.gz RBHXHEMQNXHVDD-USZNOCQGSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594179895 1016982514 /nfs/dbraw/zinc/98/25/14/1016982514.db2.gz SEYUKBCRTLOCCK-FCIBLNGTSA-N -1 0 316.379 -0.666 20 0 DBADRM CSCCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001594186665 1016982740 /nfs/dbraw/zinc/98/27/40/1016982740.db2.gz SYHKGWSDMXAXDL-UHFFFAOYSA-N -1 0 304.368 -0.537 20 0 DBADRM C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594188417 1016983048 /nfs/dbraw/zinc/98/30/48/1016983048.db2.gz RBHXHEMQNXHVDD-KKOKHZNYSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)[C@@H](C)O1 ZINC001594201344 1016984290 /nfs/dbraw/zinc/98/42/90/1016984290.db2.gz HYGPRYDTKHTWFP-OPRDCNLKSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])[C@H](C)O1 ZINC001594201226 1016985363 /nfs/dbraw/zinc/98/53/63/1016985363.db2.gz CYSUONSKYMZJHW-YTWAJWBKSA-N -1 0 319.379 -0.100 20 0 DBADRM C[C@@H](NC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001594204051 1016985419 /nfs/dbraw/zinc/98/54/19/1016985419.db2.gz ZROHOFZRQHASHK-SFYZADRCSA-N -1 0 316.339 -0.163 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001594228244 1016986320 /nfs/dbraw/zinc/98/63/20/1016986320.db2.gz SRLXDSVZBCIEBG-UOWDBTKRSA-N -1 0 307.306 -0.018 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC001594225200 1016986694 /nfs/dbraw/zinc/98/66/94/1016986694.db2.gz DVSPWWAAGMDHKU-PRFIWBCESA-N -1 0 318.395 -0.069 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001594223010 1016987028 /nfs/dbraw/zinc/98/70/28/1016987028.db2.gz WBOAGVJVHLXNMI-YIUPMNOESA-N -1 0 323.349 -0.066 20 0 DBADRM C[C@@H]1C[C@H](CO)CCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001594229837 1016987342 /nfs/dbraw/zinc/98/73/42/1016987342.db2.gz WDNJDQZYMYJUMJ-MXWKQRLJSA-N -1 0 306.384 -0.127 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC001594225049 1016988297 /nfs/dbraw/zinc/98/82/97/1016988297.db2.gz VDYCHYQOJXCNSQ-DNJQJEMRSA-N -1 0 317.363 -0.488 20 0 DBADRM C[C@H](Cc1cn(C)nn1)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001594232967 1016989287 /nfs/dbraw/zinc/98/92/87/1016989287.db2.gz KUTTUIZPKUQYAQ-SECBINFHSA-N -1 0 319.321 -0.578 20 0 DBADRM C[C@H](NC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC001594238414 1016989346 /nfs/dbraw/zinc/98/93/46/1016989346.db2.gz YFORVMWONDXFQP-YFKPBYRVSA-N -1 0 311.319 -0.498 20 0 DBADRM C[C@@]12CCCN1C(=O)N(CCOCCOCC(=O)[O-])C2=O ZINC001594231860 1016989636 /nfs/dbraw/zinc/98/96/36/1016989636.db2.gz ZRUHURVVUXOGLA-ZDUSSCGKSA-N -1 0 300.311 -0.079 20 0 DBADRM C[C@H](O)C1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC001594241796 1016989850 /nfs/dbraw/zinc/98/98/50/1016989850.db2.gz OUUWJBXOWUZHCY-BONVTDFDSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1C[C@H](CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CCO1 ZINC001594243887 1016989929 /nfs/dbraw/zinc/98/99/29/1016989929.db2.gz RVDUMUOCAPGIPV-ZRUFSTJUSA-N -1 0 307.368 -0.037 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccn(C2CCOCC2)n1)C(=O)[O-] ZINC001594233192 1016990308 /nfs/dbraw/zinc/99/03/08/1016990308.db2.gz MUULBBKZHAKWNX-QMMMGPOBSA-N -1 0 310.310 -0.238 20 0 DBADRM C[C@H](O)C1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001594241780 1016990532 /nfs/dbraw/zinc/99/05/32/1016990532.db2.gz MPRSGNQMQIUYLN-JTQLQIEISA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H](NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)C(=O)[O-] ZINC001594235991 1016991152 /nfs/dbraw/zinc/99/11/52/1016991152.db2.gz HYSHCXXLHUOKGE-VIFPVBQESA-N -1 0 315.347 -0.416 20 0 DBADRM C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)NC[C@H](F)C(=O)[O-] ZINC001594251538 1016993809 /nfs/dbraw/zinc/99/38/09/1016993809.db2.gz WMHOYWXRRMGQDS-AXFHLTTASA-N -1 0 303.334 -0.086 20 0 DBADRM C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)NCCOCC(=O)[O-] ZINC001594249457 1016993961 /nfs/dbraw/zinc/99/39/61/1016993961.db2.gz HWLKXFPWNZTOLC-RYUDHWBXSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@]12CN(C(=O)[C@]3(C(=O)[O-])CCCO3)C[C@H]1CS(=O)(=O)C2 ZINC001594247965 1016994040 /nfs/dbraw/zinc/99/40/40/1016994040.db2.gz YHOCSHUPXCDRJL-BIMULSAOSA-N -1 0 317.363 -0.487 20 0 DBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1CN1C[C@@H](C(=O)[O-])CC1=O ZINC001594251027 1016994213 /nfs/dbraw/zinc/99/42/13/1016994213.db2.gz RBQABCGVXZXWCL-FRRDWIJNSA-N -1 0 311.382 -0.328 20 0 DBADRM C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001594248967 1016994702 /nfs/dbraw/zinc/99/47/02/1016994702.db2.gz FJAXJPQWLJRGFQ-QWRGUYRKSA-N -1 0 323.353 -0.702 20 0 DBADRM CN(CCN(C)C(=O)CCc1nnc[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001496681253 1016995005 /nfs/dbraw/zinc/99/50/05/1016995005.db2.gz CKXKLJSPDYOFON-UHFFFAOYSA-N -1 0 308.346 -0.849 20 0 DBADRM Cc1ccc(OC[C@@H](O)CN2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC001594375610 1017000076 /nfs/dbraw/zinc/00/00/76/1017000076.db2.gz ALANEOZPXRKXGT-ZDUSSCGKSA-N -1 0 322.361 -0.036 20 0 DBADRM C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001594367563 1017000456 /nfs/dbraw/zinc/00/04/56/1017000456.db2.gz VMZACHRAZAZHSU-RHYQMDGZSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1CCC[C@]1(O)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001594356983 1017000689 /nfs/dbraw/zinc/00/06/89/1017000689.db2.gz HFTHDYVNSUHUSV-YGRLFVJLSA-N -1 0 315.370 -0.182 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC001594376579 1017000745 /nfs/dbraw/zinc/00/07/45/1017000745.db2.gz VHEAANYZVLMGTH-JQWIXIFHSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1C[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C(=O)O1 ZINC001594264403 1016995608 /nfs/dbraw/zinc/99/56/08/1016995608.db2.gz QHRMIHKNSYQXAP-APPZFPTMSA-N -1 0 306.340 -0.679 20 0 DBADRM C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])no2)c2ncnn21 ZINC001594264050 1016995844 /nfs/dbraw/zinc/99/58/44/1016995844.db2.gz KHAUZOUKDLBVBL-PHDIDXHHSA-N -1 0 313.295 -0.051 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[C@H](NC(=O)COCC(=O)[O-])C2)n1 ZINC001594269712 1016995947 /nfs/dbraw/zinc/99/59/47/1016995947.db2.gz WWXFEQAGQGYBNK-VIFPVBQESA-N -1 0 310.310 -0.713 20 0 DBADRM Cc1c(CNC(=O)c2cccn(CC(=O)[O-])c2=O)cnn1C ZINC001594261517 1016996292 /nfs/dbraw/zinc/99/62/92/1016996292.db2.gz DODFHAFEEVGANX-UHFFFAOYSA-N -1 0 304.306 -0.095 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CC2)CC1=O ZINC001594276919 1016996676 /nfs/dbraw/zinc/99/66/76/1016996676.db2.gz KHQOWOJFTDYEAZ-UTLUCORTSA-N -1 0 316.379 -0.220 20 0 DBADRM C[C@H]1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cn2C)C(=O)O1 ZINC001594264424 1016996719 /nfs/dbraw/zinc/99/67/19/1016996719.db2.gz QVUISQLOFQMGTG-POYBYMJQSA-N -1 0 302.308 -0.294 20 0 DBADRM C[C@H]1C[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C(=O)O1 ZINC001594264405 1016996873 /nfs/dbraw/zinc/99/68/73/1016996873.db2.gz QHRMIHKNSYQXAP-IONNQARKSA-N -1 0 306.340 -0.679 20 0 DBADRM C[C@@H]1C[C@H](S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)CCO1 ZINC001594266416 1016997323 /nfs/dbraw/zinc/99/73/23/1016997323.db2.gz OFBWKABDAQSVIH-VXGBXAGGSA-N -1 0 320.411 -0.024 20 0 DBADRM C[C@@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)CCN1C(=O)CC(N)=O ZINC001594265672 1016997813 /nfs/dbraw/zinc/99/78/13/1016997813.db2.gz KHQYHAYIVVXSFQ-RKDXNWHRSA-N -1 0 321.337 -0.737 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001594388611 1017002891 /nfs/dbraw/zinc/00/28/91/1017002891.db2.gz WTBBWDMIOMTDKC-NXEZZACHSA-N -1 0 319.383 -0.619 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001594386712 1017003284 /nfs/dbraw/zinc/00/32/84/1017003284.db2.gz WWKOUGIZJXYVGM-CQSZACIVSA-N -1 0 320.305 -0.032 20 0 DBADRM C[C@H]1CCCc2nc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cn21 ZINC001594387747 1017003907 /nfs/dbraw/zinc/00/39/07/1017003907.db2.gz FBHQXKDDODLBBS-YUMQZZPRSA-N -1 0 303.340 -0.496 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)[C@@H]1CO ZINC001594395129 1017004862 /nfs/dbraw/zinc/00/48/62/1017004862.db2.gz ZBRPERBMGDRTCM-HTXLXMOSSA-N -1 0 324.377 -0.169 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@@H]1CO ZINC001594394774 1017005120 /nfs/dbraw/zinc/00/51/20/1017005120.db2.gz XFWZEUXSVYPEAQ-QCNOEVLYSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)[C@@H](C(N)=O)C1 ZINC001594402151 1017005367 /nfs/dbraw/zinc/00/53/67/1017005367.db2.gz QKQDYMZUMPHINO-GXSJLCMTSA-N -1 0 321.333 -0.341 20 0 DBADRM CC1CCN(C(=O)COC(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC001594400335 1017006049 /nfs/dbraw/zinc/00/60/49/1017006049.db2.gz DJYAIASIGMHACW-UHFFFAOYSA-N -1 0 310.310 -0.222 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)[C@H](C(N)=O)C1 ZINC001594428105 1017008608 /nfs/dbraw/zinc/00/86/08/1017008608.db2.gz YRZUJAYLLNCJOY-BDAKNGLRSA-N -1 0 304.368 -0.233 20 0 DBADRM Cc1cn2c(ncc(C(=O)NCCOCC(=O)[O-])c2=O)s1 ZINC001594428460 1017008865 /nfs/dbraw/zinc/00/88/65/1017008865.db2.gz WRAKZPBJTNHNCH-UHFFFAOYSA-N -1 0 311.319 -0.105 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)CCCC(=O)[O-])CCS1(=O)=O ZINC001594428062 1017009004 /nfs/dbraw/zinc/00/90/04/1017009004.db2.gz WYVWAJRIAXEAMR-VIFPVBQESA-N -1 0 313.397 -0.310 20 0 DBADRM Cc1ccn(C)c1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594421654 1017009020 /nfs/dbraw/zinc/00/90/20/1017009020.db2.gz SFHKZUIHCQOWAN-SECBINFHSA-N -1 0 300.336 -0.343 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)[C@@H](C(N)=O)C1 ZINC001594428106 1017009207 /nfs/dbraw/zinc/00/92/07/1017009207.db2.gz YRZUJAYLLNCJOY-DTWKUNHWSA-N -1 0 304.368 -0.233 20 0 DBADRM Cc1cn(C)nc1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001594425679 1017010174 /nfs/dbraw/zinc/01/01/74/1017010174.db2.gz FHRFECRNXFYRAC-UHFFFAOYSA-N -1 0 306.282 -0.413 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001594427748 1017010729 /nfs/dbraw/zinc/01/07/29/1017010729.db2.gz RTZSEECOVSEIMX-BXKDBHETSA-N -1 0 317.367 -0.122 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)C[C@@H]2CCNC2=O)c1[O-] ZINC001428664416 1005980701 /nfs/dbraw/zinc/98/07/01/1005980701.db2.gz QPSGQDRWVIJOKQ-APPZFPTMSA-N -1 0 323.353 -0.816 20 0 DBADRM CCN(C(C)=O)[C@H](C)CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001428665595 1005980914 /nfs/dbraw/zinc/98/09/14/1005980914.db2.gz MPTZNVVPAYGIRD-MRVPVSSYSA-N -1 0 311.342 -0.412 20 0 DBADRM C[C@@H]1CCS(=O)(=O)CCN1C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001594440521 1017011363 /nfs/dbraw/zinc/01/13/63/1017011363.db2.gz UJUDEGJZWDZWGT-SECBINFHSA-N -1 0 315.351 -0.383 20 0 DBADRM Cc1conc1NC(=O)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001594435291 1017011621 /nfs/dbraw/zinc/01/16/21/1017011621.db2.gz BPUSYBNOALCIDW-MRVPVSSYSA-N -1 0 307.266 -0.403 20 0 DBADRM Cc1csc(N[C@H](C)C(=O)OCC(=O)NCC(=O)[O-])n1 ZINC001594440920 1017011732 /nfs/dbraw/zinc/01/17/32/1017011732.db2.gz YIIHUASFEQGOCZ-SSDOTTSWSA-N -1 0 301.324 -0.004 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001594438423 1017011812 /nfs/dbraw/zinc/01/18/12/1017011812.db2.gz FFVJARJLPYYHSX-XVKPBYJWSA-N -1 0 322.321 -0.697 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)COCc1ocnc1C(=O)[O-] ZINC001594439000 1017011825 /nfs/dbraw/zinc/01/18/25/1017011825.db2.gz KIQYJUONTJNJID-GMSGAONNSA-N -1 0 311.294 -0.470 20 0 DBADRM C[C@H]1CCc2nc(C(=O)N[C@@H](Cn3cncn3)C(=O)[O-])cn2C1 ZINC001594448151 1017011847 /nfs/dbraw/zinc/01/18/47/1017011847.db2.gz PPKORUQHQSJULZ-ONGXEEELSA-N -1 0 318.337 -0.060 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C[C@@H](C)C1O ZINC001594455926 1017016474 /nfs/dbraw/zinc/01/64/74/1017016474.db2.gz WINJSEWIVQGLEQ-IQMDTDKHSA-N -1 0 312.366 -0.215 20 0 DBADRM CC(C)CCC(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001428731196 1006010165 /nfs/dbraw/zinc/01/01/65/1006010165.db2.gz SIIFUENUZIFDJZ-MRVPVSSYSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)c2cnn(C)c2)CCN1CCC(=O)[O-] ZINC001594458110 1017017659 /nfs/dbraw/zinc/01/76/59/1017017659.db2.gz DVOWXHLKDVRQBT-JTQLQIEISA-N -1 0 308.338 -0.390 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC(=O)N1C ZINC001594459572 1017018285 /nfs/dbraw/zinc/01/82/85/1017018285.db2.gz YTEHGCBNMYUEGU-BBBLOLIVSA-N -1 0 311.338 -0.955 20 0 DBADRM CC(=O)N1C[C@@H]2CCN(C(=O)CCCn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001428771008 1006025511 /nfs/dbraw/zinc/02/55/11/1006025511.db2.gz WBZQRLJAIWZKBC-WDEREUQCSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C[C@]1(C)CO ZINC001594457539 1017018720 /nfs/dbraw/zinc/01/87/20/1017018720.db2.gz HSCCGCBKTDHGSG-KUTPLIDGSA-N -1 0 324.377 -0.167 20 0 DBADRM CCN1CCOC[C@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001440254823 1006029865 /nfs/dbraw/zinc/02/98/65/1006029865.db2.gz JZYGKJLFFRVHMW-SECBINFHSA-N -1 0 311.342 -0.948 20 0 DBADRM Cc1nc(CN2CCN(C(=O)[C@@H]3CC(C(=O)[O-])=NO3)CC2)no1 ZINC001594454420 1017015984 /nfs/dbraw/zinc/01/59/84/1017015984.db2.gz YYWXURNDHJMGOF-JTQLQIEISA-N -1 0 323.309 -0.748 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C[C@]1(C)CO ZINC001594453346 1017016073 /nfs/dbraw/zinc/01/60/73/1017016073.db2.gz GRMCCYHFGYCZMQ-VLPYPGMDSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001594462555 1017019787 /nfs/dbraw/zinc/01/97/87/1017019787.db2.gz LGLNBFFFPNUQKN-APPZFPTMSA-N -1 0 307.310 -0.834 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CCO1 ZINC001594465604 1017020271 /nfs/dbraw/zinc/02/02/71/1017020271.db2.gz SAFAPJWISXQNME-QMTHXVAHSA-N -1 0 311.338 -0.461 20 0 DBADRM C[C@H]1CN(C(=O)CN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CCO1 ZINC001594465603 1017021304 /nfs/dbraw/zinc/02/13/04/1017021304.db2.gz SAFAPJWISXQNME-IINYFYTJSA-N -1 0 311.338 -0.461 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@@]2(CCOC2)O1 ZINC001594470303 1017023388 /nfs/dbraw/zinc/02/33/88/1017023388.db2.gz IJYPASYPCBRMQX-TVQRCGJNSA-N -1 0 310.310 -0.617 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(c2ccccn2)CC1 ZINC001440420569 1006121856 /nfs/dbraw/zinc/12/18/56/1006121856.db2.gz KGNGQAOTYGLBCN-UHFFFAOYSA-N -1 0 304.310 -0.567 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC([C@@H](O)C(=O)[O-])CC2)C[C@H](C)O1 ZINC001594466048 1017023632 /nfs/dbraw/zinc/02/36/32/1017023632.db2.gz YERFXSPZYQMBTE-UHIISALHSA-N -1 0 314.382 -0.220 20 0 DBADRM CCOCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001440449706 1006130146 /nfs/dbraw/zinc/13/01/46/1006130146.db2.gz MOKOLLDXCNKXQN-MNOVXSKESA-N -1 0 309.370 -0.173 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C[C@H](CO)O1 ZINC001594476376 1017026066 /nfs/dbraw/zinc/02/60/66/1017026066.db2.gz YEKNAJGGCFPFBG-GWOFURMSSA-N -1 0 302.327 -0.733 20 0 DBADRM Cc1noc([C@H](C)NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC001594496033 1017031515 /nfs/dbraw/zinc/03/15/15/1017031515.db2.gz QUFKUKHRADBCJT-CPFSXVBKSA-N -1 0 310.310 -0.122 20 0 DBADRM Cc1nccc(N2CCN(C(=O)C(=O)NCCC(=O)[O-])CC2)n1 ZINC001594470895 1017026978 /nfs/dbraw/zinc/02/69/78/1017026978.db2.gz NNHBCVWYBXZSEN-UHFFFAOYSA-N -1 0 321.337 -0.975 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)C[C@@H](C)S1(=O)=O ZINC001594471477 1017027021 /nfs/dbraw/zinc/02/70/21/1017027021.db2.gz XFQXBHZAMVTZOC-RKDXNWHRSA-N -1 0 315.351 -0.385 20 0 DBADRM Cc1nnc(Cn2nnc(C(=O)N[C@H](C)CC(=O)[O-])c2C)o1 ZINC001594493173 1017027569 /nfs/dbraw/zinc/02/75/69/1017027569.db2.gz SFPFZJUHRKRKJQ-ZCFIWIBFSA-N -1 0 308.298 -0.081 20 0 DBADRM O=C(CCCF)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001440506979 1006167730 /nfs/dbraw/zinc/16/77/30/1006167730.db2.gz SFXNUFXQQDEFKD-VIFPVBQESA-N -1 0 313.333 -0.281 20 0 DBADRM CC[C@@H](C)C(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001440540485 1006181776 /nfs/dbraw/zinc/18/17/76/1006181776.db2.gz LXCJWVPSPRDTNI-YGRLFVJLSA-N -1 0 311.386 -0.001 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccn3nnnc3c2)CCN1CCC(=O)[O-] ZINC001594494555 1017029058 /nfs/dbraw/zinc/02/90/58/1017029058.db2.gz SEMPRNHPMRJSCJ-SNVBAGLBSA-N -1 0 318.337 -0.255 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001440548956 1006188677 /nfs/dbraw/zinc/18/86/77/1006188677.db2.gz NUGOZDZHPGBGGJ-PKFCDNJMSA-N -1 0 309.370 -0.391 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)o1 ZINC001594490908 1017030036 /nfs/dbraw/zinc/03/00/36/1017030036.db2.gz UYNHDFIBAUWAQY-CBAPKCEASA-N -1 0 310.310 -0.122 20 0 DBADRM Cc1nn(CCS(=O)(=O)NCC2(C(=O)[O-])CCC2)c(=O)o1 ZINC001594488461 1017030112 /nfs/dbraw/zinc/03/01/12/1017030112.db2.gz HLMLOUKFIXWRRU-UHFFFAOYSA-N -1 0 319.339 -0.681 20 0 DBADRM Cc1nnc(COCC(=O)N[C@@]2(C(=O)[O-])CCOC2)s1 ZINC001594493216 1017030175 /nfs/dbraw/zinc/03/01/75/1017030175.db2.gz USNTXOGTGOXRJY-NSHDSACASA-N -1 0 301.324 -0.277 20 0 DBADRM C[C@@H]1CN(CC(C)(C)O)CCN1S(=O)(=O)CCCC(=O)[O-] ZINC001594506011 1017030775 /nfs/dbraw/zinc/03/07/75/1017030775.db2.gz HNWXPXLCXJUPGE-LLVKDONJSA-N -1 0 322.427 -0.042 20 0 DBADRM C[C@@H]1CN(CCC(=O)N(C)CC(=O)[O-])C[C@H](C)S1(=O)=O ZINC001594509060 1017031621 /nfs/dbraw/zinc/03/16/21/1017031621.db2.gz NJSPNPGYENLJKH-AOOOYVTPSA-N -1 0 306.384 -0.573 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC12CC2 ZINC001429083989 1006218382 /nfs/dbraw/zinc/21/83/82/1006218382.db2.gz AIBDGFSWMFRASC-SFYZADRCSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)N(C)CC1CC1 ZINC001594508809 1017032670 /nfs/dbraw/zinc/03/26/70/1017032670.db2.gz KVXJYUATNWYLIZ-LLVKDONJSA-N -1 0 311.382 -0.138 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)CCCC(N)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001440652861 1006251765 /nfs/dbraw/zinc/25/17/65/1006251765.db2.gz MLYNXSMOUSOGOE-UWVGGRQHSA-N -1 0 324.385 -0.365 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCCS1(=O)=O ZINC001594515740 1017035884 /nfs/dbraw/zinc/03/58/84/1017035884.db2.gz QMHOCOGNOCXNRV-WDEREUQCSA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)NCc1ccon1 ZINC001594513741 1017039449 /nfs/dbraw/zinc/03/94/49/1017039449.db2.gz OQSMYHXGZXDOCR-SNVBAGLBSA-N -1 0 324.337 -0.702 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1CS(=O)(=O)C1 ZINC001594514382 1017039687 /nfs/dbraw/zinc/03/96/87/1017039687.db2.gz GQEVAGKTHRFSEU-SECBINFHSA-N -1 0 304.368 -0.962 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)NCCC1CC1 ZINC001594514474 1017040095 /nfs/dbraw/zinc/04/00/95/1017040095.db2.gz YJRIBMIJTBMCAQ-LLVKDONJSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)c1ccn(C)n1 ZINC001594524542 1017041283 /nfs/dbraw/zinc/04/12/83/1017041283.db2.gz ABGOULVDSVRARV-SNVBAGLBSA-N -1 0 316.383 -0.410 20 0 DBADRM C[C@@H]1CN(CCc2cn(CC(=O)[O-])nn2)CC[S@](=O)C1 ZINC001594531954 1017041763 /nfs/dbraw/zinc/04/17/63/1017041763.db2.gz QWYNISVVRZRZHT-SBKAZYGRSA-N -1 0 300.384 -0.394 20 0 DBADRM C[C@H]1CN(Cc2cnon2)[C@@H](C(=O)[O-])CN1Cc1cnon1 ZINC001594548065 1017043266 /nfs/dbraw/zinc/04/32/66/1017043266.db2.gz QFEPGXRKTUEAEB-GZMMTYOYSA-N -1 0 308.298 -0.388 20 0 DBADRM C[C@H]1CN(CCNS(=O)(=O)CC(C)(C)C(=O)[O-])CCO1 ZINC001594531009 1017043448 /nfs/dbraw/zinc/04/34/48/1017043448.db2.gz GJPJZBRDTWKLJQ-JTQLQIEISA-N -1 0 308.400 -0.263 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H](C)CN1C ZINC001594554360 1017045379 /nfs/dbraw/zinc/04/53/79/1017045379.db2.gz ADRQPEWRYRRRSX-SFYZADRCSA-N -1 0 302.356 -0.179 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)[C@@H](C)CN1C ZINC001594560920 1017046591 /nfs/dbraw/zinc/04/65/91/1017046591.db2.gz FERKWFBYKDWJHR-UWVGGRQHSA-N -1 0 316.383 -0.319 20 0 DBADRM C[C@@H]1CO[C@H](C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001594587019 1017050382 /nfs/dbraw/zinc/05/03/82/1017050382.db2.gz MXQSAIXWEFJZBO-HUBLWGQQSA-N -1 0 312.366 -0.201 20 0 DBADRM C[C@H]1CNc2c(C(=O)NCCC(=O)NCCC(=O)[O-])cnn2C1 ZINC001594585445 1017050155 /nfs/dbraw/zinc/05/01/55/1017050155.db2.gz AJKQAHRJNHCPMP-VIFPVBQESA-N -1 0 323.353 -0.345 20 0 DBADRM C[C@@H]1COCCCN1C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001594603525 1017050261 /nfs/dbraw/zinc/05/02/61/1017050261.db2.gz KFCJUTLPJUQKHM-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H]1CNc2c(C(=O)N[C@@H](CC3OCCO3)C(=O)[O-])cnn2C1 ZINC001594588086 1017050276 /nfs/dbraw/zinc/05/02/76/1017050276.db2.gz VRJKOEHWSASHNY-SCZZXKLOSA-N -1 0 324.337 -0.109 20 0 DBADRM CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)C2 ZINC001429420524 1006395482 /nfs/dbraw/zinc/39/54/82/1006395482.db2.gz JKGAFPAVKFJXRY-IEBDPFPHSA-N -1 0 321.337 -0.517 20 0 DBADRM C[C@H]1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCN1CCO ZINC001594554857 1017047895 /nfs/dbraw/zinc/04/78/95/1017047895.db2.gz HOMQMMFWLCOHRY-GARJFASQSA-N -1 0 306.384 -0.822 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C[C@H](C)C1O ZINC001594555053 1017047982 /nfs/dbraw/zinc/04/79/82/1017047982.db2.gz TWZWODJJRAEQPM-BQBZGAKWSA-N -1 0 303.340 -0.255 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2cccnn2)c1[O-] ZINC001429444095 1006409493 /nfs/dbraw/zinc/40/94/93/1006409493.db2.gz JANYSJHOGPEDBM-UHFFFAOYSA-N -1 0 304.310 -0.284 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@H]1CCOC[C@H]1C)C(=O)[O-] ZINC001594598089 1017048758 /nfs/dbraw/zinc/04/87/58/1017048758.db2.gz UWCUGGROQOWHSN-VPOLOUISSA-N -1 0 315.370 -0.064 20 0 DBADRM C[C@H]1COCC[C@@H]1CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001594598640 1017048886 /nfs/dbraw/zinc/04/88/86/1017048886.db2.gz YAPMMHDPDYOSND-DTWKUNHWSA-N -1 0 324.337 -0.154 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@H](C)C2)C[C@@H](C(=O)[O-])O1 ZINC001594606925 1017050108 /nfs/dbraw/zinc/05/01/08/1017050108.db2.gz ILJNLRNAXXTFHH-MXWKQRLJSA-N -1 0 314.338 -0.818 20 0 DBADRM C[C@H]1COC2(CCC2)CN1C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001594597068 1017050125 /nfs/dbraw/zinc/05/01/25/1017050125.db2.gz AYTOMBOJAOAXHJ-IUCAKERBSA-N -1 0 302.302 -0.305 20 0 DBADRM C[C@H]1Cc2cc(S(=O)(=O)N3CC(O)(C(=O)[O-])C3)ccc2O1 ZINC001594618958 1017054052 /nfs/dbraw/zinc/05/40/52/1017054052.db2.gz PGMAXWGLWZDRAO-QMMMGPOBSA-N -1 0 313.331 -0.170 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001594648473 1017056755 /nfs/dbraw/zinc/05/67/55/1017056755.db2.gz JPTBTAUZQALQFH-PTOFAABTSA-N -1 0 318.351 -0.201 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001594638914 1017054850 /nfs/dbraw/zinc/05/48/50/1017054850.db2.gz FSBUNJKPNPDTPV-PSLIRLAXSA-N -1 0 322.317 -0.021 20 0 DBADRM COC[C@@H](C)N1CC(CCO)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001441035119 1006437373 /nfs/dbraw/zinc/43/73/73/1006437373.db2.gz IXXRUUIEEZBHMW-SECBINFHSA-N -1 0 312.370 -0.375 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001594638913 1017055394 /nfs/dbraw/zinc/05/53/94/1017055394.db2.gz FSBUNJKPNPDTPV-BJOHPYRUSA-N -1 0 322.317 -0.021 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001594640265 1017055491 /nfs/dbraw/zinc/05/54/91/1017055491.db2.gz NRRVTQQANCAEHH-OTYXRUKQSA-N -1 0 310.306 -0.797 20 0 DBADRM C[C@@H]1OCCN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)[C@H]1C ZINC001594649676 1017055656 /nfs/dbraw/zinc/05/56/56/1017055656.db2.gz YVYNXOJLJJKPQC-GARJFASQSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNC(=O)COCc1ocnc1C(=O)[O-] ZINC001594640746 1017055745 /nfs/dbraw/zinc/05/57/45/1017055745.db2.gz SZVUFNOSCOFJRU-SDBXPKJASA-N -1 0 314.294 -0.455 20 0 DBADRM C[C@@H]1OCC[C@]12CN(C(=O)Cn1cc(C(=O)[O-])cn1)CCO2 ZINC001594641755 1017055752 /nfs/dbraw/zinc/05/57/52/1017055752.db2.gz BATSDBQZXTYNDD-HZMBPMFUSA-N -1 0 309.322 -0.012 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001594648134 1017056293 /nfs/dbraw/zinc/05/62/93/1017056293.db2.gz FEFQXMGJQWXEFU-CIUDSAMLSA-N -1 0 309.340 -0.701 20 0 DBADRM C[C@H]1COCCN1CCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594607002 1017050572 /nfs/dbraw/zinc/05/05/72/1017050572.db2.gz BCKWEECNDNWYKZ-GARJFASQSA-N -1 0 306.384 -0.510 20 0 DBADRM C[C@H]1CNc2c(C(=O)N[C@@H](CC3OCCO3)C(=O)[O-])cnn2C1 ZINC001594588092 1017050706 /nfs/dbraw/zinc/05/07/06/1017050706.db2.gz VRJKOEHWSASHNY-WPRPVWTQSA-N -1 0 324.337 -0.109 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001594597114 1017051301 /nfs/dbraw/zinc/05/13/01/1017051301.db2.gz CFLDBWMCJVEREI-KXNHARMFSA-N -1 0 301.339 -0.136 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001441118073 1006478394 /nfs/dbraw/zinc/47/83/94/1006478394.db2.gz XTPGZKLCVRCUSB-NXEZZACHSA-N -1 0 310.358 -0.885 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N(C)[C@@H](COC1CCC1)C(=O)[O-] ZINC001594632404 1017052444 /nfs/dbraw/zinc/05/24/44/1017052444.db2.gz LINHRNOQGOVGJV-HGNGGELXSA-N -1 0 300.311 -0.036 20 0 DBADRM C[C@H]1OC(=O)N[C@H]1C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001594632578 1017053452 /nfs/dbraw/zinc/05/34/52/1017053452.db2.gz NXFVHADDKBPBLF-LDYMZIIASA-N -1 0 300.311 -0.034 20 0 DBADRM C[C@@H]1COCCN1CCN1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC001594607464 1017053982 /nfs/dbraw/zinc/05/39/82/1017053982.db2.gz RDYRUOFPFSWCRH-GWOFURMSSA-N -1 0 311.338 -0.652 20 0 DBADRM C[C@H]1Oc2ccccc2N(CC(=O)N2CC(O)(C(=O)[O-])C2)C1=O ZINC001594654962 1017057820 /nfs/dbraw/zinc/05/78/20/1017057820.db2.gz LPCLWRCAEHUASA-SECBINFHSA-N -1 0 320.301 -0.542 20 0 DBADRM C[C@@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)c1ccncn1 ZINC001594658571 1017057923 /nfs/dbraw/zinc/05/79/23/1017057923.db2.gz NXLHWKBYJXOEEB-WPRPVWTQSA-N -1 0 324.362 -0.029 20 0 DBADRM C[C@@H]1Oc2ccccc2N(CC(=O)N[C@](C)(CO)C(=O)[O-])C1=O ZINC001594655201 1017057959 /nfs/dbraw/zinc/05/79/59/1017057959.db2.gz OPMXABGXJPTJGR-BJOHPYRUSA-N -1 0 322.317 -0.248 20 0 DBADRM CCC(=O)N1CC[C@H](NS(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001594700506 1017058056 /nfs/dbraw/zinc/05/80/56/1017058056.db2.gz WKVQSBHAGGBVKT-VIFPVBQESA-N -1 0 304.368 -0.076 20 0 DBADRM CCC(=O)N1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001594700550 1017058246 /nfs/dbraw/zinc/05/82/46/1017058246.db2.gz HQSJNCHVMQDGOR-UHFFFAOYSA-N -1 0 323.309 -0.905 20 0 DBADRM C[C@H]1c2nncn2CCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001594670755 1017058772 /nfs/dbraw/zinc/05/87/72/1017058772.db2.gz FCYYDJITWCDBEA-VIFPVBQESA-N -1 0 317.305 -0.259 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001594696779 1017058957 /nfs/dbraw/zinc/05/89/57/1017058957.db2.gz ZVFJCDHCNZWKSX-WCQYABFASA-N -1 0 312.366 -0.071 20 0 DBADRM C/C=C\C[C@@H](CO)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001594682594 1017059022 /nfs/dbraw/zinc/05/90/22/1017059022.db2.gz AOOWYFUDYOFEQX-XADBCAIWSA-N -1 0 303.340 -0.427 20 0 DBADRM CCC(=O)NCC(=O)NC[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001594708349 1017059877 /nfs/dbraw/zinc/05/98/77/1017059877.db2.gz TUYZAFSJZINCNU-QMMMGPOBSA-N -1 0 309.326 -0.382 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001594705537 1017060459 /nfs/dbraw/zinc/06/04/59/1017060459.db2.gz HPVVWHFDSJPGAZ-HLTSFMKQSA-N -1 0 302.352 -0.656 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001441238815 1006535263 /nfs/dbraw/zinc/53/52/63/1006535263.db2.gz NWPZBRZAKNYIMU-SSDOTTSWSA-N -1 0 305.298 -0.569 20 0 DBADRM CCC(=O)NCc1nc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc(=O)[nH]1 ZINC001594712646 1017060951 /nfs/dbraw/zinc/06/09/51/1017060951.db2.gz WJYHBJQUSBKWEN-BDAKNGLRSA-N -1 0 322.321 -0.455 20 0 DBADRM CCC(=O)NCC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001594707779 1017061222 /nfs/dbraw/zinc/06/12/22/1017061222.db2.gz KVNZFHONXCCJGH-SECBINFHSA-N -1 0 321.337 -0.864 20 0 DBADRM CCC(=O)N1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1 ZINC001594700658 1017061402 /nfs/dbraw/zinc/06/14/02/1017061402.db2.gz KPXUKYWHBOEHGV-SNVBAGLBSA-N -1 0 311.338 -0.652 20 0 DBADRM CC[C@H](C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])N1CCCC1=O ZINC001594730016 1017063318 /nfs/dbraw/zinc/06/33/18/1017063318.db2.gz XYTLSDAFGHREMV-VHSXEESVSA-N -1 0 314.338 -0.280 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001594745007 1017062377 /nfs/dbraw/zinc/06/23/77/1017062377.db2.gz HSCYLEHCCMZSKE-SKDRFNHKSA-N -1 0 305.352 -0.487 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 ZINC001594745217 1017062775 /nfs/dbraw/zinc/06/27/75/1017062775.db2.gz NSFXJCRJSLWRSU-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM CCNC(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-] ZINC001441291554 1006568878 /nfs/dbraw/zinc/56/88/78/1006568878.db2.gz HNTFEKWEAKELES-PHIMTYICSA-N -1 0 321.381 -0.151 20 0 DBADRM CC[C@](C)(NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001594853736 1017067927 /nfs/dbraw/zinc/06/79/27/1017067927.db2.gz JKVLCPJTEDKTAS-JTQLQIEISA-N -1 0 305.312 -0.983 20 0 DBADRM CC[C@](C)(NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001594853500 1017067947 /nfs/dbraw/zinc/06/79/47/1017067947.db2.gz YTPXUQYQTZLWBD-SKDRFNHKSA-N -1 0 304.368 -0.078 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCC[C@@H](CO)[C@H]1CO)C(=O)[O-] ZINC001594894220 1017068678 /nfs/dbraw/zinc/06/86/78/1017068678.db2.gz NSHDSJLNKXYJKJ-CZXHOFHRSA-N -1 0 316.398 -0.333 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@H]1CCC(=O)N1C)C(=O)[O-] ZINC001594898183 1017069241 /nfs/dbraw/zinc/06/92/41/1017069241.db2.gz USCRNIQCKKFYAX-SBMIAAHKSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1C[C@H](O)C[C@@H]1COC)C(=O)[O-] ZINC001594894452 1017069544 /nfs/dbraw/zinc/06/95/44/1017069544.db2.gz SASYWVSFMVORID-SBFPOUOMSA-N -1 0 302.371 -0.317 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC001594756027 1017064036 /nfs/dbraw/zinc/06/40/36/1017064036.db2.gz CVLRUEAYQNGLBS-VIFPVBQESA-N -1 0 319.339 -0.679 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001594747667 1017064070 /nfs/dbraw/zinc/06/40/70/1017064070.db2.gz AZKBVQZZPBKHBT-KXUCPTDWSA-N -1 0 306.384 -0.069 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC001594745435 1017064383 /nfs/dbraw/zinc/06/43/83/1017064383.db2.gz SCNDKSMGUOFKPN-JTQLQIEISA-N -1 0 320.349 -0.060 20 0 DBADRM CC[C@@](C)(CCO)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001594830793 1017064905 /nfs/dbraw/zinc/06/49/05/1017064905.db2.gz SORZWQPZYJDRNG-YGRLFVJLSA-N -1 0 300.355 -0.023 20 0 DBADRM CCC(C)(C)NC(=O)CN1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001594806056 1017064964 /nfs/dbraw/zinc/06/49/64/1017064964.db2.gz PDEDDVIUDYNCTC-MNOVXSKESA-N -1 0 311.382 -0.188 20 0 DBADRM CC[C@@H](C(=O)OC)C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001594774519 1017065680 /nfs/dbraw/zinc/06/56/80/1017065680.db2.gz GWEBLOIGFVCVGN-DTWKUNHWSA-N -1 0 301.295 -0.196 20 0 DBADRM CC[C@H](C(=O)OC)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001594776284 1017066246 /nfs/dbraw/zinc/06/62/46/1017066246.db2.gz VXTRKMPDRABJCB-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM CC[C@@H](C(=O)OC)C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001594776283 1017066337 /nfs/dbraw/zinc/06/63/37/1017066337.db2.gz VXTRKMPDRABJCB-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM CC[C@@](C)(NC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC001594846644 1017066676 /nfs/dbraw/zinc/06/66/76/1017066676.db2.gz KGOOFEMWJDTYFL-LLVKDONJSA-N -1 0 301.324 -0.288 20 0 DBADRM CC[C@](C)(NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC001594837686 1017067050 /nfs/dbraw/zinc/06/70/50/1017067050.db2.gz TYJBBPIEBWEBLY-NSHDSACASA-N -1 0 307.372 -0.729 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)C1(CO)COC1)C(=O)[O-] ZINC001594897406 1017070005 /nfs/dbraw/zinc/07/00/05/1017070005.db2.gz ONVOHPOMZOBUAD-PSASIEDQSA-N -1 0 303.311 -0.846 20 0 DBADRM C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1nncn1C ZINC001441446086 1006652387 /nfs/dbraw/zinc/65/23/87/1006652387.db2.gz GNXRUHJCSQBFIO-ZETCQYMHSA-N -1 0 302.298 -0.923 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NCc2cnn(C)n2)c1[O-] ZINC001441513621 1006694265 /nfs/dbraw/zinc/69/42/65/1006694265.db2.gz MWJGKYAIPUXPLS-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H]1CCC1(F)F ZINC001441706023 1006823862 /nfs/dbraw/zinc/82/38/62/1006823862.db2.gz NSQLLWDPHOWTBJ-NKWVEPMBSA-N -1 0 305.285 -0.878 20 0 DBADRM O=C(CC1CC(F)(F)C1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001441710047 1006827070 /nfs/dbraw/zinc/82/70/70/1006827070.db2.gz AUIOVCGSWGKLCP-MRVPVSSYSA-N -1 0 319.312 -0.488 20 0 DBADRM O=C(CCc1ccccc1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001441769091 1006863704 /nfs/dbraw/zinc/86/37/04/1006863704.db2.gz JZNKIVBETUUKJJ-GFCCVEGCSA-N -1 0 319.365 -0.290 20 0 DBADRM O=C(CCc1ccccc1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001441769094 1006864759 /nfs/dbraw/zinc/86/47/59/1006864759.db2.gz JZNKIVBETUUKJJ-LBPRGKRZSA-N -1 0 319.365 -0.290 20 0 DBADRM C[C@H](CNC(=O)CC1CCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001430465495 1006865329 /nfs/dbraw/zinc/86/53/29/1006865329.db2.gz BBURVDMMKZZKAG-SECBINFHSA-N -1 0 322.365 -0.089 20 0 DBADRM CC[C@H](C)CC(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001430508170 1006876218 /nfs/dbraw/zinc/87/62/18/1006876218.db2.gz PXKZRDAPIKJSQI-DTWKUNHWSA-N -1 0 313.358 -0.254 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001598117877 1017233274 /nfs/dbraw/zinc/23/32/74/1017233274.db2.gz KNYGHHFHHHDZNY-SNVBAGLBSA-N -1 0 308.338 -0.092 20 0 DBADRM CN(C)C(=O)/C=C\C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001598118024 1017233311 /nfs/dbraw/zinc/23/33/11/1017233311.db2.gz DIHLXYSHZITFLF-ARJAWSKDSA-N -1 0 309.322 -0.147 20 0 DBADRM CN(C(=O)c1cnn(C)c1N)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001598098546 1017233612 /nfs/dbraw/zinc/23/36/12/1017233612.db2.gz PKVZPQZNCKPGOA-RKDXNWHRSA-N -1 0 321.337 -0.994 20 0 DBADRM CN(C(C)(C)CC(=O)[O-])S(=O)(=O)CCN1CCOC1=O ZINC001598106083 1017233706 /nfs/dbraw/zinc/23/37/06/1017233706.db2.gz DXAJMJZAXQMCPB-UHFFFAOYSA-N -1 0 308.356 -0.047 20 0 DBADRM CN(C)C(=O)[C@@H]1CCN(c2nnnn2[C@H]2CC=C(C(=O)[O-])C2)C1 ZINC001598119974 1017234820 /nfs/dbraw/zinc/23/48/20/1017234820.db2.gz SDXSEQRLJHWUFJ-MNOVXSKESA-N -1 0 320.353 -0.067 20 0 DBADRM CN(C)C(=O)CCCNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001598124257 1017235466 /nfs/dbraw/zinc/23/54/66/1017235466.db2.gz GRLWJQLNSDUNFK-UHFFFAOYSA-N -1 0 317.367 -0.130 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001598130232 1017236526 /nfs/dbraw/zinc/23/65/26/1017236526.db2.gz VJVUZGZJNKXGAC-UHFFFAOYSA-N -1 0 307.306 -0.543 20 0 DBADRM CN(C)C(=O)CCCNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001598125226 1017236684 /nfs/dbraw/zinc/23/66/84/1017236684.db2.gz XAABEBZGZLRZDK-MWLCHTKSSA-N -1 0 301.343 -0.356 20 0 DBADRM CN(C)C(=O)CCCC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001598121877 1017237393 /nfs/dbraw/zinc/23/73/93/1017237393.db2.gz NABCBFZQOHURHD-CYBMUJFWSA-N -1 0 300.355 -0.071 20 0 DBADRM CN(C)C(=O)CN(Cc1cn(CC(=O)[O-])nn1)CC(F)(F)F ZINC001598127516 1017237423 /nfs/dbraw/zinc/23/74/23/1017237423.db2.gz COIVVWJBHLUDSG-UHFFFAOYSA-N -1 0 323.275 -0.185 20 0 DBADRM CN(C)C(=O)CCNC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001598126032 1017237443 /nfs/dbraw/zinc/23/74/43/1017237443.db2.gz FQGKFKXAOWOKHM-SECBINFHSA-N -1 0 303.384 -0.076 20 0 DBADRM Cn1cccc(C(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)c1=O ZINC001598161234 1017242390 /nfs/dbraw/zinc/24/23/90/1017242390.db2.gz UFPLHWNGZVTUNH-UHFFFAOYSA-N -1 0 323.330 -0.009 20 0 DBADRM CN(C)C(=O)O[C@@H]1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001598146683 1017238476 /nfs/dbraw/zinc/23/84/76/1017238476.db2.gz UPYIHCWRODOHPW-MRVPVSSYSA-N -1 0 311.298 -0.725 20 0 DBADRM CN(C)C(=O)NCCNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001598140526 1017238930 /nfs/dbraw/zinc/23/89/30/1017238930.db2.gz VZEGNHFALNIXRU-UHFFFAOYSA-N -1 0 315.351 -0.066 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001598139180 1017239123 /nfs/dbraw/zinc/23/91/23/1017239123.db2.gz UENIKFRVBGWJOT-NSHDSACASA-N -1 0 323.353 -0.204 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)Nc2ccncc2C(=O)[O-])nn1 ZINC001598134308 1017239267 /nfs/dbraw/zinc/23/92/67/1017239267.db2.gz OEWKWPSTLKBJBK-UHFFFAOYSA-N -1 0 318.293 -0.866 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC001598138898 1017239323 /nfs/dbraw/zinc/23/93/23/1017239323.db2.gz NRNLIIRPUJBVHI-SNVBAGLBSA-N -1 0 321.399 -0.131 20 0 DBADRM CN(C)C(=O)OCCN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001598144031 1017239412 /nfs/dbraw/zinc/23/94/12/1017239412.db2.gz FMVOHXZMVRDNIT-GFCCVEGCSA-N -1 0 301.299 -0.140 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001598138646 1017239446 /nfs/dbraw/zinc/23/94/46/1017239446.db2.gz CKYBGLWKAWELBN-QWRGUYRKSA-N -1 0 312.370 -0.435 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)nn1 ZINC001598133984 1017239635 /nfs/dbraw/zinc/23/96/35/1017239635.db2.gz HMIIYKAHLMIDTP-CQSZACIVSA-N -1 0 323.353 -0.261 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001598151459 1017239920 /nfs/dbraw/zinc/23/99/20/1017239920.db2.gz LDIXGGWKCSHHTN-VIFPVBQESA-N -1 0 304.368 -0.124 20 0 DBADRM O=C(NC[C@@H]1COCCO1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001441884784 1006937185 /nfs/dbraw/zinc/93/71/85/1006937185.db2.gz ODIZYUCUZPHXPI-LLVKDONJSA-N -1 0 320.305 -0.589 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cccnn2)C1 ZINC001597998260 1017226450 /nfs/dbraw/zinc/22/64/50/1017226450.db2.gz JQYKCUHRRXIQTE-ZJUUUORDSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2n[nH]cc2F)C1 ZINC001597997793 1017226570 /nfs/dbraw/zinc/22/65/70/1017226570.db2.gz BOZOMRVZMVWIGA-YUMQZZPRSA-N -1 0 310.285 -0.448 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2ncccn2)C1 ZINC001597997737 1017226897 /nfs/dbraw/zinc/22/68/97/1017226897.db2.gz AICGEHFLEGIBTQ-VHSXEESVSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(CC(=O)NC2CCCC2)C1 ZINC001597998108 1017226921 /nfs/dbraw/zinc/22/69/21/1017226921.db2.gz GWTBSSAYJBIOIL-OLZOCXBDSA-N -1 0 323.393 -0.092 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001597998670 1017227226 /nfs/dbraw/zinc/22/72/26/1017227226.db2.gz RWHGOKNTIGGZEB-UWVGGRQHSA-N -1 0 319.317 -0.209 20 0 DBADRM CN(C(=O)C1CCOCC1)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598004090 1017228403 /nfs/dbraw/zinc/22/84/03/1017228403.db2.gz WFRAFRKNEKAXES-NEPJUHHUSA-N -1 0 310.350 -0.197 20 0 DBADRM CN(C(=O)Cc1ccon1)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598040239 1017228505 /nfs/dbraw/zinc/22/85/05/1017228505.db2.gz JQGUMEOQMJEFMU-MNOVXSKESA-N -1 0 307.306 -0.393 20 0 DBADRM CN(C(=O)CN1CCS(=O)(=O)CC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598022120 1017228670 /nfs/dbraw/zinc/22/86/70/1017228670.db2.gz DFLMNUWIDDTOMP-AOOOYVTPSA-N -1 0 304.368 -0.962 20 0 DBADRM CN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598002274 1017228901 /nfs/dbraw/zinc/22/89/01/1017228901.db2.gz BGELBHPBIOXZFX-ONGXEEELSA-N -1 0 319.379 -0.098 20 0 DBADRM CN(C(=O)CN1CC[C@@](O)(C(N)=O)C1)c1ccccc1C(=O)[O-] ZINC001598023972 1017228915 /nfs/dbraw/zinc/22/89/15/1017228915.db2.gz SVNWPSWTNYNYRN-HNNXBMFYSA-N -1 0 321.333 -0.730 20 0 DBADRM CN(C(=O)CCc1ocnc1C(=O)[O-])C1CS(=O)(=O)C1 ZINC001598019125 1017229023 /nfs/dbraw/zinc/22/90/23/1017229023.db2.gz IOEQQAXFCIDICO-UHFFFAOYSA-N -1 0 302.308 -0.439 20 0 DBADRM CN(C)[C@]1(C(=O)NC[C@@H](O)CC(=O)[O-])COc2ccccc2C1 ZINC001598175382 1017242023 /nfs/dbraw/zinc/24/20/23/1017242023.db2.gz AFNNCCGHEXANJB-LRDDRELGSA-N -1 0 322.361 -0.126 20 0 DBADRM CN(C(=O)CN1CCC(=O)NC1=O)c1ncc(C(=O)[O-])s1 ZINC001598022870 1017229412 /nfs/dbraw/zinc/22/94/12/1017229412.db2.gz JGILUJJKIFBQOP-UHFFFAOYSA-N -1 0 312.307 -0.254 20 0 DBADRM CN(C(=O)Cc1cnoc1)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598040711 1017229568 /nfs/dbraw/zinc/22/95/68/1017229568.db2.gz ZTTWXQGCLRZMEJ-WDEREUQCSA-N -1 0 307.306 -0.393 20 0 DBADRM CN(C(=O)Cc1cnoc1)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001598040708 1017229672 /nfs/dbraw/zinc/22/96/72/1017229672.db2.gz ZTTWXQGCLRZMEJ-GHMZBOCLSA-N -1 0 307.306 -0.393 20 0 DBADRM CN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC001598022803 1017229747 /nfs/dbraw/zinc/22/97/47/1017229747.db2.gz IOVHUMJAGPVNSL-AEJSXWLSSA-N -1 0 311.338 -0.968 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001430668014 1006974600 /nfs/dbraw/zinc/97/46/00/1006974600.db2.gz PJIQUPYQVONVEU-CIUDSAMLSA-N -1 0 311.342 -0.644 20 0 DBADRM CN(C(=O)Cn1nnc(C(N)=O)n1)c1ccccc1C(=O)[O-] ZINC001598042522 1017231763 /nfs/dbraw/zinc/23/17/63/1017231763.db2.gz ZQBBEVUNAIYBIN-UHFFFAOYSA-N -1 0 304.266 -0.867 20 0 DBADRM CN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001598052349 1017231829 /nfs/dbraw/zinc/23/18/29/1017231829.db2.gz JVOJPRURJHEOKE-AEJSXWLSSA-N -1 0 319.383 -0.475 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C23CC(C(=O)[O-])(C2)C3)O1 ZINC001598116248 1017233144 /nfs/dbraw/zinc/23/31/44/1017233144.db2.gz ALSFBCNVPBAYQP-FUJWFWLKSA-N -1 0 310.350 -0.007 20 0 DBADRM CC(=O)NCC[C@@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431159618 1007225807 /nfs/dbraw/zinc/22/58/07/1007225807.db2.gz VGKUIYUOGKGQNJ-VIFPVBQESA-N -1 0 309.326 -0.196 20 0 DBADRM CN(CCNC(=O)CC1CCC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001431183649 1007246562 /nfs/dbraw/zinc/24/65/62/1007246562.db2.gz LCUQPXRDJCXSEE-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CN(CCNC(=O)C1(C2CC2)CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001431307821 1007338668 /nfs/dbraw/zinc/33/86/68/1007338668.db2.gz IKAZWMLVUHXNOK-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)[C@]23C[C@H]2COC3)c1[O-] ZINC001431359498 1007372380 /nfs/dbraw/zinc/37/23/80/1007372380.db2.gz JXXQAZJQQGCWRU-BONVTDFDSA-N -1 0 322.365 -0.009 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001442421049 1007425905 /nfs/dbraw/zinc/42/59/05/1007425905.db2.gz RZPTWIONRZDQFE-NKWVEPMBSA-N -1 0 311.342 -0.817 20 0 DBADRM CN(CCNC(=O)C[C@@H]1CCCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001442475223 1007477744 /nfs/dbraw/zinc/47/77/44/1007477744.db2.gz UIMVHPJODXMPNW-VIFPVBQESA-N -1 0 310.358 -0.883 20 0 DBADRM CN(CCNC(=O)C[C@H]1CCCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001442475219 1007482046 /nfs/dbraw/zinc/48/20/46/1007482046.db2.gz UIMVHPJODXMPNW-SECBINFHSA-N -1 0 310.358 -0.883 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)NC(=O)C(C)(C)C ZINC001442539790 1007536055 /nfs/dbraw/zinc/53/60/55/1007536055.db2.gz XDVSAIJWWBGATI-SFYZADRCSA-N -1 0 313.358 -0.255 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001442602589 1007574449 /nfs/dbraw/zinc/57/44/49/1007574449.db2.gz VMMNIEYNFDIPOW-WDEREUQCSA-N -1 0 319.369 -0.405 20 0 DBADRM CCC(=O)NC[C@@H](C)N(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001442608579 1007576902 /nfs/dbraw/zinc/57/69/02/1007576902.db2.gz QUXBMHWLBJCNFZ-MRVPVSSYSA-N -1 0 311.342 -0.412 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CCCC1 ZINC001431552660 1007596901 /nfs/dbraw/zinc/59/69/01/1007596901.db2.gz HBKWGCKVJYAQMK-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)Cc2cc[nH]n2)c1[O-] ZINC001431614012 1007637295 /nfs/dbraw/zinc/63/72/95/1007637295.db2.gz LIZMHCINVOHCLW-SSDOTTSWSA-N -1 0 306.326 -0.376 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1cnoc1C ZINC001442743536 1007641227 /nfs/dbraw/zinc/64/12/27/1007641227.db2.gz GIIHWYXXBQJLRI-UHFFFAOYSA-N -1 0 324.341 -0.376 20 0 DBADRM CCNC(=O)CCC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001442789773 1007659106 /nfs/dbraw/zinc/65/91/06/1007659106.db2.gz ZGLKUDRYRJVNHC-SNVBAGLBSA-N -1 0 324.385 -0.493 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1(C)CC1 ZINC001431679056 1007668221 /nfs/dbraw/zinc/66/82/21/1007668221.db2.gz LHDDUBYJTGTWRY-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1(C)CCC1 ZINC001431704464 1007677833 /nfs/dbraw/zinc/67/78/33/1007677833.db2.gz PTZKNYSIHXIXAJ-SECBINFHSA-N -1 0 322.365 -0.089 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001431746597 1007695469 /nfs/dbraw/zinc/69/54/69/1007695469.db2.gz GHBRLIYDXANEFY-JTQLQIEISA-N -1 0 323.353 -0.719 20 0 DBADRM C[C@H](CNC(=O)[C@H]1C[C@@H]1C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001442893040 1007701236 /nfs/dbraw/zinc/70/12/36/1007701236.db2.gz ANMBPHNOGYMWJU-RNJXMRFFSA-N -1 0 309.326 -0.485 20 0 DBADRM C[NH+](C)CCN(CC(=O)[O-])S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001598224763 1017246638 /nfs/dbraw/zinc/24/66/38/1017246638.db2.gz SPPVITAYTXJSIX-UHFFFAOYSA-N -1 0 322.383 -0.481 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)CN2CCCC2=O)c1[O-] ZINC001431798020 1007714682 /nfs/dbraw/zinc/71/46/82/1007714682.db2.gz CIUIOHRLUBYBOQ-QMMMGPOBSA-N -1 0 323.353 -0.719 20 0 DBADRM CN(C)Cc1cc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])no1 ZINC001598246837 1017249914 /nfs/dbraw/zinc/24/99/14/1017249914.db2.gz BLGLMJFGUYFTHU-JTQLQIEISA-N -1 0 310.310 -0.896 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001598259601 1017250769 /nfs/dbraw/zinc/25/07/69/1017250769.db2.gz LZGZVCWBYYCEMF-ZWNOBZJWSA-N -1 0 318.395 -0.019 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(Cc2oncc2C(=O)[O-])c1 ZINC001598283533 1017255358 /nfs/dbraw/zinc/25/53/58/1017255358.db2.gz YUAOUGJKDSQIQT-UHFFFAOYSA-N -1 0 300.296 -0.132 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H]2C(=O)[O-])co1 ZINC001598269638 1017251473 /nfs/dbraw/zinc/25/14/73/1017251473.db2.gz CHYABQYGJKTFJA-QMMMGPOBSA-N -1 0 302.308 -0.171 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC001598264883 1017251657 /nfs/dbraw/zinc/25/16/57/1017251657.db2.gz BYAOWJUNNKWLOA-UHFFFAOYSA-N -1 0 317.367 -0.098 20 0 DBADRM CC(=O)NCCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC001431844010 1007732225 /nfs/dbraw/zinc/73/22/25/1007732225.db2.gz RINPTJJKQKDWLD-UHFFFAOYSA-N -1 0 318.337 -0.802 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)NCCCCCC(=O)[O-] ZINC001598261731 1017252354 /nfs/dbraw/zinc/25/23/54/1017252354.db2.gz GNXDSNABQMRVEA-UHFFFAOYSA-N -1 0 309.388 -0.514 20 0 DBADRM CN(C)S(=O)(=O)N1CC(Nc2cc(C(=O)[O-])ccn2)C1 ZINC001598265614 1017252682 /nfs/dbraw/zinc/25/26/82/1017252682.db2.gz XJKGSULIMDFQRW-UHFFFAOYSA-N -1 0 300.340 -0.318 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)c1ccc(C(=O)[O-])o1 ZINC001598267243 1017252803 /nfs/dbraw/zinc/25/28/03/1017252803.db2.gz LVQQBJPPIWXSNL-UHFFFAOYSA-N -1 0 305.312 -0.896 20 0 DBADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CC[C@H](O)C1 ZINC001598293364 1017255542 /nfs/dbraw/zinc/25/55/42/1017255542.db2.gz UFOMVTHBVOBVMP-JTQLQIEISA-N -1 0 321.333 -0.018 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)Cn1cc(C(=O)[O-])ccc1=O ZINC001598282196 1017254132 /nfs/dbraw/zinc/25/41/32/1017254132.db2.gz HFOVLDPMFCYHSY-FQEVSTJZSA-N -1 0 301.324 -0.353 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N1CC2CC1(C(=O)[O-])C2 ZINC001598282726 1017254318 /nfs/dbraw/zinc/25/43/18/1017254318.db2.gz NLDBVWLKKXUIJZ-BISLPTTNSA-N -1 0 311.385 -0.645 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)Oc1cccnc1C(=O)[O-] ZINC001598283050 1017254500 /nfs/dbraw/zinc/25/45/00/1017254500.db2.gz CPLNVOCXOQMYNA-IBGZPJMESA-N -1 0 323.352 -0.022 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN1CC(C)(C(=O)[O-])C1 ZINC001598281787 1017254898 /nfs/dbraw/zinc/25/48/98/1017254898.db2.gz AOKKBPXVVNOTNC-UHFFFAOYSA-N -1 0 302.356 -0.556 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)Cc2cc[nH]n2)c1[O-] ZINC001432025535 1007790526 /nfs/dbraw/zinc/79/05/26/1007790526.db2.gz YGOFZJCGDSTFDT-JTQLQIEISA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN[C@@H](C)c2nncn2C)c1[O-] ZINC001443114355 1007796303 /nfs/dbraw/zinc/79/63/03/1007796303.db2.gz ZNPBFVASEKMTOC-VIFPVBQESA-N -1 0 307.358 -0.025 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001443280350 1007823440 /nfs/dbraw/zinc/82/34/40/1007823440.db2.gz MRQBWWHWTNYVNQ-ZETCQYMHSA-N -1 0 323.353 -0.094 20 0 DBADRM CC[C@@H](C)C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001432151526 1007826950 /nfs/dbraw/zinc/82/69/50/1007826950.db2.gz JUSJRWPJMUAAFF-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)[C@H](O)C(C)C)CC2)c1[O-] ZINC001432165971 1007832903 /nfs/dbraw/zinc/83/29/03/1007832903.db2.gz NWFPMCCJDSINFC-SNVBAGLBSA-N -1 0 310.354 -0.181 20 0 DBADRM CCO[C@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)[C@H]1CCOC1 ZINC001443446481 1007848077 /nfs/dbraw/zinc/84/80/77/1007848077.db2.gz BPWZJKJAUMUFEQ-AXFHLTTASA-N -1 0 311.342 -0.459 20 0 DBADRM O=C([C@@H]1CCc2nncn2CC1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001443452459 1007850013 /nfs/dbraw/zinc/85/00/13/1007850013.db2.gz QJSMFLPACYWSFF-NXEZZACHSA-N -1 0 318.341 -0.656 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)CO[C@@H]3CCOC3)C2)c1[O-] ZINC001432244853 1007866228 /nfs/dbraw/zinc/86/62/28/1007866228.db2.gz UJBLYNJTAKYOEZ-SNVBAGLBSA-N -1 0 324.337 -0.830 20 0 DBADRM C[C@H](CC(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC001432265011 1007873422 /nfs/dbraw/zinc/87/34/22/1007873422.db2.gz BXTVPGFMTQISTO-MRVPVSSYSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001432286981 1007881280 /nfs/dbraw/zinc/88/12/80/1007881280.db2.gz VKGPLHSUPWPOBV-APPZFPTMSA-N -1 0 321.337 -0.802 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)C1(C(N)=O)CCC1)C(=O)[O-] ZINC001594898123 1017070060 /nfs/dbraw/zinc/07/00/60/1017070060.db2.gz UKZXIAMSVWDWPJ-PSASIEDQSA-N -1 0 314.338 -0.199 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3n[nH]cc3F)CC2)c1[O-] ZINC001432308666 1007887285 /nfs/dbraw/zinc/88/72/85/1007887285.db2.gz JIKZOHRNNAGQGA-UHFFFAOYSA-N -1 0 322.300 -0.022 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCC[C@@H](CO)[C@H]1CO)C(=O)[O-] ZINC001594894222 1017070902 /nfs/dbraw/zinc/07/09/02/1017070902.db2.gz NSHDSJLNKXYJKJ-GFQSEFKGSA-N -1 0 316.398 -0.333 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@H]2[C@H](C(=O)OC)[C@H]2C1)C(=O)[O-] ZINC001594894727 1017071039 /nfs/dbraw/zinc/07/10/39/1017071039.db2.gz YEDVARAZBQEGER-TXDRYBTRSA-N -1 0 312.366 -0.047 20 0 DBADRM CC[C@H](C)N(CC)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001594982642 1017072104 /nfs/dbraw/zinc/07/21/04/1017072104.db2.gz MZLYBKAJSGDUAC-DCAQKATOSA-N -1 0 300.355 -0.073 20 0 DBADRM CC[C@H](C)[C@@H](OC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)[O-] ZINC001594922762 1017072159 /nfs/dbraw/zinc/07/21/59/1017072159.db2.gz DPDZNJGPBBJGJE-WCBMZHEXSA-N -1 0 310.372 -0.233 20 0 DBADRM CCC(CC)[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])N1CCOCC1 ZINC001595105125 1017073582 /nfs/dbraw/zinc/07/35/82/1017073582.db2.gz AGTWNMJJPLLLGJ-RYUDHWBXSA-N -1 0 302.371 -0.315 20 0 DBADRM CCC(CC)NC(=O)CN1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001595121489 1017073827 /nfs/dbraw/zinc/07/38/27/1017073827.db2.gz PIYOKRYXBOSQDX-NWDGAFQWSA-N -1 0 311.382 -0.188 20 0 DBADRM CCC(CC)N1C[C@H](C(=O)N[C@](C)(CO)C(=O)[O-])CC1=O ZINC001595115294 1017074057 /nfs/dbraw/zinc/07/40/57/1017074057.db2.gz BADBCDKCMXTEFT-YMTOWFKASA-N -1 0 300.355 -0.025 20 0 DBADRM CC[C@@H](C)NC(=O)CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001594989604 1017074357 /nfs/dbraw/zinc/07/43/57/1017074357.db2.gz OULXCOUGGFVBCE-IUODEOHRSA-N -1 0 313.398 -0.238 20 0 DBADRM O=C([O-])CCCCNS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001595045837 1017074401 /nfs/dbraw/zinc/07/44/01/1017074401.db2.gz CUHHKESBHOKRDC-SNVBAGLBSA-N -1 0 304.368 -0.076 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)C[C@@H]1NC(=O)NC1=O ZINC001595043365 1017074443 /nfs/dbraw/zinc/07/44/43/1017074443.db2.gz GOFACSPAUBPPDX-ZETCQYMHSA-N -1 0 314.294 -0.412 20 0 DBADRM CCC(CC)(NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001595090971 1017074542 /nfs/dbraw/zinc/07/45/42/1017074542.db2.gz RIFDJAATXZLOJG-JTQLQIEISA-N -1 0 320.411 -0.135 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001594989606 1017074613 /nfs/dbraw/zinc/07/46/13/1017074613.db2.gz OULXCOUGGFVBCE-WFASDCNBSA-N -1 0 313.398 -0.238 20 0 DBADRM NC(=O)CN(Cc1ccccc1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001443791149 1007930823 /nfs/dbraw/zinc/93/08/23/1007930823.db2.gz VLSAKSWWGSUHMQ-UHFFFAOYSA-N -1 0 305.294 -0.797 20 0 DBADRM CC[C@](COC)(NC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC001595187733 1017077655 /nfs/dbraw/zinc/07/76/55/1017077655.db2.gz CKHCHPHWUSPGGT-CYBMUJFWSA-N -1 0 313.358 -0.033 20 0 DBADRM CC[C@H](CO)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001595174696 1017077829 /nfs/dbraw/zinc/07/78/29/1017077829.db2.gz UHZDIBUVJNRHFG-SKDRFNHKSA-N -1 0 322.317 -0.248 20 0 DBADRM CC[C@](COC)(NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-] ZINC001595188159 1017078294 /nfs/dbraw/zinc/07/82/94/1017078294.db2.gz PTFGUGNIEKNLFZ-LKFCYVNXSA-N -1 0 324.337 -0.241 20 0 DBADRM CC[C@](COC)(NC(=O)Cn1cc([C@H](C)O)nn1)C(=O)[O-] ZINC001595189519 1017078576 /nfs/dbraw/zinc/07/85/76/1017078576.db2.gz OVHKFLDXNAETAC-QPUJVOFHSA-N -1 0 300.315 -0.673 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)c1ccc(C(=O)[O-])n1C ZINC001595172624 1017078604 /nfs/dbraw/zinc/07/86/04/1017078604.db2.gz JUGADUYOQPOYST-MRVPVSSYSA-N -1 0 317.367 -0.219 20 0 DBADRM CC[C@@](COC)(NC(=O)Cc1nc2ncccn2n1)C(=O)[O-] ZINC001595189540 1017079181 /nfs/dbraw/zinc/07/91/81/1017079181.db2.gz PJIPAHVVHZLIRK-ZDUSSCGKSA-N -1 0 307.310 -0.337 20 0 DBADRM CC[C@H](CO)[NH+]1CCN(CCc2cn(CC(=O)[O-])nn2)CC1 ZINC001595174689 1017079199 /nfs/dbraw/zinc/07/91/99/1017079199.db2.gz UGLQHMZBHROTLD-CYBMUJFWSA-N -1 0 311.386 -0.706 20 0 DBADRM CC[C@@](COC)(NC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC001595187736 1017079353 /nfs/dbraw/zinc/07/93/53/1017079353.db2.gz CKHCHPHWUSPGGT-ZDUSSCGKSA-N -1 0 313.358 -0.033 20 0 DBADRM CC[C@@](COC)(NC(=O)Cn1cc([C@H](C)O)nn1)C(=O)[O-] ZINC001595189520 1017079458 /nfs/dbraw/zinc/07/94/58/1017079458.db2.gz OVHKFLDXNAETAC-UFBFGSQYSA-N -1 0 300.315 -0.673 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(F)F ZINC001443935716 1007967792 /nfs/dbraw/zinc/96/77/92/1007967792.db2.gz NELGLFFHJSBZKZ-RXMQYKEDSA-N -1 0 319.268 -0.485 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1CC12CC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001444040831 1007992240 /nfs/dbraw/zinc/99/22/40/1007992240.db2.gz CDNHFQBEXXFPSQ-YUMQZZPRSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@]2(O)CCN(C(=O)C3(C)CC3)C2)c1[O-] ZINC001432792826 1008022549 /nfs/dbraw/zinc/02/25/49/1008022549.db2.gz AYZYLTRAQJZLKO-OAHLLOKOSA-N -1 0 322.365 -0.083 20 0 DBADRM CC[C@@H](CNC(=O)C(C)(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001432809119 1008026819 /nfs/dbraw/zinc/02/68/19/1008026819.db2.gz UFHUTYIXDVUBIH-ZETCQYMHSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@H](CNC(=O)CC1(C)CC1)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001432994465 1008059425 /nfs/dbraw/zinc/05/94/25/1008059425.db2.gz PGMVVRHXSZUHOJ-MRVPVSSYSA-N -1 0 323.353 -0.045 20 0 DBADRM CC(C)[C@H](CNC(=O)C(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433059668 1008061956 /nfs/dbraw/zinc/06/19/56/1008061956.db2.gz FTTAVZKBXJAJLF-YFKPBYRVSA-N -1 0 319.268 -0.582 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCCS(C)(=O)=O)cc1=O ZINC001433194619 1008090170 /nfs/dbraw/zinc/09/01/70/1008090170.db2.gz SLOHMRVQDWYVRK-UHFFFAOYSA-N -1 0 303.384 -0.464 20 0 DBADRM CC(=O)NC[C@@H]1CCC[C@H]1NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001433229173 1008101263 /nfs/dbraw/zinc/10/12/63/1008101263.db2.gz VRDWOQXBDBDFGH-VHSXEESVSA-N -1 0 323.353 -0.364 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@]23C[C@H]2CCC3)c1[O-] ZINC001433274545 1008130079 /nfs/dbraw/zinc/13/00/79/1008130079.db2.gz YBOXTDDORYUGDU-HFBDOXOYSA-N -1 0 322.365 -0.179 20 0 DBADRM CC(=O)N[C@@H](CO)CNC(=O)c1n[n-]c2ccccc2c1=O ZINC001444355141 1008143036 /nfs/dbraw/zinc/14/30/36/1008143036.db2.gz UKZHVMLKNJGIIQ-SECBINFHSA-N -1 0 304.306 -0.438 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001444474616 1008169689 /nfs/dbraw/zinc/16/96/89/1008169689.db2.gz PDEWKYRMNIRVLD-RKDXNWHRSA-N -1 0 301.322 -0.425 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN(C)C(=O)c2ccc[nH]2)c1[O-] ZINC001444594566 1008189021 /nfs/dbraw/zinc/18/90/21/1008189021.db2.gz JMOZMPPMXPDWNA-SECBINFHSA-N -1 0 321.337 -0.385 20 0 DBADRM Cc1cnc(CNC[C@@H](C)N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001444629432 1008199882 /nfs/dbraw/zinc/19/98/82/1008199882.db2.gz JSGLIRKZTRNPQZ-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM CN(C(=O)CCc1nnn[n-]1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC001444662843 1008214872 /nfs/dbraw/zinc/21/48/72/1008214872.db2.gz KTIBUGUXFYOYRM-VHSXEESVSA-N -1 0 315.399 -0.054 20 0 DBADRM COCCOC[C@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001444706834 1008226415 /nfs/dbraw/zinc/22/64/15/1008226415.db2.gz MPKFAWCBUZJPGU-VIFPVBQESA-N -1 0 302.331 -0.363 20 0 DBADRM CN(CCN(C)C(=O)C1CCC(O)CC1)Cc1n[nH]c(=O)[n-]1 ZINC001444973635 1008266311 /nfs/dbraw/zinc/26/63/11/1008266311.db2.gz UPNPALUCLXZOJD-UHFFFAOYSA-N -1 0 311.386 -0.048 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCNC(=O)[C@@H]1c1cccs1 ZINC001444981801 1008267094 /nfs/dbraw/zinc/26/70/94/1008267094.db2.gz FQIOQJVHWWYHML-VIFPVBQESA-N -1 0 323.334 -0.550 20 0 DBADRM CCN(C(C)=O)[C@H](C)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001445322376 1008360627 /nfs/dbraw/zinc/36/06/27/1008360627.db2.gz BXZQMHOKCQTBRU-SECBINFHSA-N -1 0 313.358 -0.157 20 0 DBADRM CCOC(=O)[C@H](Cc1ccncc1)NC(=O)CCc1nnn[n-]1 ZINC001445338107 1008362996 /nfs/dbraw/zinc/36/29/96/1008362996.db2.gz SSUSDLODMBLYMR-NSHDSACASA-N -1 0 318.337 -0.182 20 0 DBADRM C[C@H](CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1)[S@@](C)=O ZINC001445543642 1008395018 /nfs/dbraw/zinc/39/50/18/1008395018.db2.gz MATZQXUMSVLMQR-PVBMHHQDSA-N -1 0 322.394 -0.038 20 0 DBADRM CCc1cnc(CNC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001445640893 1008411493 /nfs/dbraw/zinc/41/14/93/1008411493.db2.gz AMSRVMDKEHLDTG-QMMMGPOBSA-N -1 0 324.341 -0.466 20 0 DBADRM Cc1ncncc1C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001445685256 1008420263 /nfs/dbraw/zinc/42/02/63/1008420263.db2.gz KANVKLBDOZGEPD-QMMMGPOBSA-N -1 0 305.342 -0.141 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@@H](O)C1CCOCC1 ZINC001445712897 1008424847 /nfs/dbraw/zinc/42/48/47/1008424847.db2.gz VZZMUEDUHYSHSJ-MRVPVSSYSA-N -1 0 302.356 -0.494 20 0 DBADRM CC1(C(=O)NC[C@H]2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001445912489 1008446838 /nfs/dbraw/zinc/44/68/38/1008446838.db2.gz OUGCHKWRMRQOJC-DTORHVGOSA-N -1 0 323.353 -0.500 20 0 DBADRM CN(C(=O)c1c[n-]ncc1=O)C1CCN(S(C)(=O)=O)CC1 ZINC001446029135 1008463144 /nfs/dbraw/zinc/46/31/44/1008463144.db2.gz VYNNRSGNDHNDCU-UHFFFAOYSA-N -1 0 314.367 -0.322 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1CCF ZINC001446051540 1008467321 /nfs/dbraw/zinc/46/73/21/1008467321.db2.gz MOUSFUSFAMNUCN-VIFPVBQESA-N -1 0 301.322 -0.371 20 0 DBADRM CCN1C[C@H](C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)CC1=O ZINC001446173221 1008486485 /nfs/dbraw/zinc/48/64/85/1008486485.db2.gz HVJVITKCNVOOAR-SECBINFHSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1cnn(C)c1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001446230202 1008493945 /nfs/dbraw/zinc/49/39/45/1008493945.db2.gz PORHQQAMMQQQBI-UHFFFAOYSA-N -1 0 305.342 -0.396 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCCN(CC(F)F)CC1 ZINC001446284713 1008497949 /nfs/dbraw/zinc/49/79/49/1008497949.db2.gz GJTBTBIVIAINPN-UHFFFAOYSA-N -1 0 305.285 -0.511 20 0 DBADRM CC1(NC(=O)CCCC(N)=O)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001446486239 1008519742 /nfs/dbraw/zinc/51/97/42/1008519742.db2.gz YFKGKSDMBHLBFJ-UHFFFAOYSA-N -1 0 324.385 -0.363 20 0 DBADRM CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001457415935 1008527545 /nfs/dbraw/zinc/52/75/45/1008527545.db2.gz MRKZBUUXKFUEHT-XKSSXDPKSA-N -1 0 310.310 -0.368 20 0 DBADRM O=C(Nc1ccc(CN2CCOCC2)cn1)c1n[nH]c(=O)[n-]1 ZINC001457735772 1008597653 /nfs/dbraw/zinc/59/76/53/1008597653.db2.gz NSALYYWYYMPUKT-UHFFFAOYSA-N -1 0 304.310 -0.010 20 0 DBADRM Cc1cnn(Cc2cc(C(=O)NCc3nc(=O)o[n-]3)no2)c1 ZINC001446600963 1008603248 /nfs/dbraw/zinc/60/32/48/1008603248.db2.gz CCNNHDNFUGVZIW-UHFFFAOYSA-N -1 0 304.266 -0.166 20 0 DBADRM Cn1c(CO)nc2cc(C(=O)NCc3nc(=O)o[n-]3)ccc21 ZINC001446608648 1008612490 /nfs/dbraw/zinc/61/24/90/1008612490.db2.gz JOOZVOJOBIYIQS-UHFFFAOYSA-N -1 0 303.278 -0.328 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCC[C@@H]1NC(=O)C1CC1 ZINC001457859275 1008662481 /nfs/dbraw/zinc/66/24/81/1008662481.db2.gz SCVGRQRSEKYPIW-UWVGGRQHSA-N -1 0 323.353 -0.500 20 0 DBADRM CC(C)[C@@H](F)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001446778109 1008788922 /nfs/dbraw/zinc/78/89/22/1008788922.db2.gz XKEDTLWDCUBHHG-ZWNOBZJWSA-N -1 0 315.349 -0.443 20 0 DBADRM CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)c1n[nH]c(=O)[n-]1)C2 ZINC001458029635 1008810646 /nfs/dbraw/zinc/81/06/46/1008810646.db2.gz SGFIVJFGYKFONF-SSDOTTSWSA-N -1 0 320.309 -0.072 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3ccnn3C)C2)c1[O-] ZINC001446829603 1008816239 /nfs/dbraw/zinc/81/62/39/1008816239.db2.gz XGGSTQYXQGOZFM-UHFFFAOYSA-N -1 0 320.353 -0.866 20 0 DBADRM CCN1CC(O)(CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC001446924121 1008850603 /nfs/dbraw/zinc/85/06/03/1008850603.db2.gz WBIILJCBACBXHJ-UHFFFAOYSA-N -1 0 311.304 -0.374 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001446933006 1008852237 /nfs/dbraw/zinc/85/22/37/1008852237.db2.gz BTVWSFUDZFJVMW-SCZZXKLOSA-N -1 0 323.353 -0.721 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001446933008 1008852741 /nfs/dbraw/zinc/85/27/41/1008852741.db2.gz BTVWSFUDZFJVMW-WPRPVWTQSA-N -1 0 323.353 -0.721 20 0 DBADRM NC(=O)CO[N-]C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1 ZINC001446959723 1008859504 /nfs/dbraw/zinc/85/95/04/1008859504.db2.gz YFWDBCCZIJBFKB-UHFFFAOYSA-N -1 0 308.269 -0.158 20 0 DBADRM O=C(Cc1ccon1)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001447136052 1008913636 /nfs/dbraw/zinc/91/36/36/1008913636.db2.gz UMWVZWVILHXCLW-JTQLQIEISA-N -1 0 322.325 -0.942 20 0 DBADRM Cc1nonc1CC(=O)NCC1(NC(=O)c2cn[nH]n2)CC1 ZINC001459090071 1008943531 /nfs/dbraw/zinc/94/35/31/1008943531.db2.gz LORSEHSSZPINNP-UHFFFAOYSA-N -1 0 305.298 -0.883 20 0 DBADRM Cn1nc(C(=O)N=c2nn[n-]n2C2CC2)c2ccccc2c1=O ZINC001460335490 1009083665 /nfs/dbraw/zinc/08/36/65/1009083665.db2.gz XPBURQLFHZFRPM-UHFFFAOYSA-N -1 0 311.305 -0.071 20 0 DBADRM NC(=O)c1ccc(C(=O)N=c2nn[n-]n2C2CC2)nc1Cl ZINC001460297628 1009086010 /nfs/dbraw/zinc/08/60/10/1009086010.db2.gz QLXVDBPNSHNBCI-UHFFFAOYSA-N -1 0 307.701 -0.171 20 0 DBADRM CCC1(C(=O)N[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001447558884 1009162554 /nfs/dbraw/zinc/16/25/54/1009162554.db2.gz HSSMTHPBFRJMRX-OCAPTIKFSA-N -1 0 321.337 -0.150 20 0 DBADRM CC(C)COC[C@H](O)C[N-]S(=O)(=O)N=S(C)(C)=O ZINC001463161009 1009195344 /nfs/dbraw/zinc/19/53/44/1009195344.db2.gz LMSOMSSYIBVWCP-SECBINFHSA-N -1 0 302.418 -0.418 20 0 DBADRM CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ncc[n-]1 ZINC001462764686 1009172002 /nfs/dbraw/zinc/17/20/02/1009172002.db2.gz KYMHOEMYFPZLDK-SECBINFHSA-N -1 0 307.397 -0.003 20 0 DBADRM CC[C@H]1C(=O)NCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001462971425 1009184357 /nfs/dbraw/zinc/18/43/57/1009184357.db2.gz ROOKEBVWHCGZMM-JTQLQIEISA-N -1 0 318.337 -0.802 20 0 DBADRM Cn1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(Cl)n1 ZINC001447643240 1009211814 /nfs/dbraw/zinc/21/18/14/1009211814.db2.gz FISJIEIOTWRZSM-UHFFFAOYSA-N -1 0 308.747 -0.731 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H]1CCC2(CCC2)O1 ZINC001463410804 1009214597 /nfs/dbraw/zinc/21/45/97/1009214597.db2.gz VTLKJHNZOURIGU-MNOVXSKESA-N -1 0 321.395 -0.069 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001447670220 1009225835 /nfs/dbraw/zinc/22/58/35/1009225835.db2.gz FVVBROBUXKYEFN-HXFLIBJXSA-N -1 0 321.337 -0.485 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001447670226 1009227410 /nfs/dbraw/zinc/22/74/10/1009227410.db2.gz FVVBROBUXKYEFN-RBXMUDONSA-N -1 0 321.337 -0.485 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC(n3ccnc3)C2)n[nH]1 ZINC001463555728 1009227281 /nfs/dbraw/zinc/22/72/81/1009227281.db2.gz YUYLQKLNAXAEFJ-UHFFFAOYSA-N -1 0 311.323 -0.362 20 0 DBADRM CN1C(=O)Cc2cc(S(=O)(=O)[N-]N3CCCNC3=O)ccc21 ZINC001463542127 1009228351 /nfs/dbraw/zinc/22/83/51/1009228351.db2.gz PSZVODWZLHGEMO-UHFFFAOYSA-N -1 0 324.362 -0.186 20 0 DBADRM CO[C@@H]([C@@H](C)NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C1CC1 ZINC001463707807 1009236375 /nfs/dbraw/zinc/23/63/75/1009236375.db2.gz FIXYSLOPPFGDLY-XCBNKYQSSA-N -1 0 317.367 -0.422 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](CO)C(C)C)n[nH]1 ZINC001463661749 1009236819 /nfs/dbraw/zinc/23/68/19/1009236819.db2.gz DXANBTZKRITLOH-MRVPVSSYSA-N -1 0 305.356 -0.261 20 0 DBADRM COCCn1nnc2c1CCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001463757056 1009243491 /nfs/dbraw/zinc/24/34/91/1009243491.db2.gz AFEBQEFAJJCBJW-UHFFFAOYSA-N -1 0 312.355 -0.605 20 0 DBADRM CNC(=O)c1ccc(CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001463818414 1009251083 /nfs/dbraw/zinc/25/10/83/1009251083.db2.gz PXMGMKKZSIBWID-UHFFFAOYSA-N -1 0 319.321 -0.293 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3NC(=O)C[C@H]3C)cc2=O)n1 ZINC001463968247 1009269965 /nfs/dbraw/zinc/26/99/65/1009269965.db2.gz CSURSHZNSZFOBG-SECBINFHSA-N -1 0 316.321 -0.162 20 0 DBADRM COC(=O)c1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001463967210 1009270196 /nfs/dbraw/zinc/27/01/96/1009270196.db2.gz FZSJWFPYFIVKDX-UHFFFAOYSA-N -1 0 306.278 -0.208 20 0 DBADRM CN(C)c1ncnc2c1cc(C(=O)N[C@](C)(CO)C(=O)[O-])n2C ZINC001598365108 1017257030 /nfs/dbraw/zinc/25/70/30/1017257030.db2.gz IBPJNUSSDOWDNY-CQSZACIVSA-N -1 0 321.337 -0.400 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC001598354035 1017257055 /nfs/dbraw/zinc/25/70/55/1017257055.db2.gz CSKPOPAACHWSFG-UHFFFAOYSA-N -1 0 318.293 -0.030 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])n1 ZINC001598352749 1017257472 /nfs/dbraw/zinc/25/74/72/1017257472.db2.gz QOCPQGVQDOLWHW-MRVPVSSYSA-N -1 0 308.342 -0.250 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H](O)[C@@H]1CCCO1 ZINC001464082842 1009290696 /nfs/dbraw/zinc/29/06/96/1009290696.db2.gz RTEQLJZQYWUNSS-UWVGGRQHSA-N -1 0 314.429 -0.132 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N[C@H](CC(F)F)C(=O)[O-])n1 ZINC001598352827 1017257960 /nfs/dbraw/zinc/25/79/60/1017257960.db2.gz SLAIFERHMIHBFC-SCSAIBSYSA-N -1 0 304.257 -0.642 20 0 DBADRM CN(C)c1noc(CCC(=O)N[C@H](C(=O)[O-])c2ccnn2C)n1 ZINC001598365461 1017258420 /nfs/dbraw/zinc/25/84/20/1017258420.db2.gz QUMJDZTYNOJBGT-NSHDSACASA-N -1 0 322.325 -0.256 20 0 DBADRM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001464265661 1009300736 /nfs/dbraw/zinc/30/07/36/1009300736.db2.gz GYXSTKXHLCLINR-IUCAKERBSA-N -1 0 311.342 -0.418 20 0 DBADRM CCN(CCC(=O)OC)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001464355108 1009307802 /nfs/dbraw/zinc/30/78/02/1009307802.db2.gz GEPGFIYNZXJAHH-UHFFFAOYSA-N -1 0 300.315 -0.119 20 0 DBADRM CN([C@@H]1CCNC1=O)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001598374434 1017260286 /nfs/dbraw/zinc/26/02/86/1017260286.db2.gz CHXZZDMTBIBYIX-OPRDCNLKSA-N -1 0 304.368 -0.220 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC001464396640 1009310807 /nfs/dbraw/zinc/31/08/07/1009310807.db2.gz BQGOHABIFGCARF-ZCFIWIBFSA-N -1 0 321.384 -0.237 20 0 DBADRM CN([C@@]1(CO)CCOC1)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001598366234 1017261384 /nfs/dbraw/zinc/26/13/84/1017261384.db2.gz JRCDCWYVARFKEN-SNVBAGLBSA-N -1 0 306.296 -0.855 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001598375445 1017261451 /nfs/dbraw/zinc/26/14/51/1017261451.db2.gz YMGUFBDUDIHAEC-GXSJLCMTSA-N -1 0 322.383 -0.891 20 0 DBADRM CN(CC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])S(C)(=O)=O ZINC001598386626 1017261824 /nfs/dbraw/zinc/26/18/24/1017261824.db2.gz DTMXXFKXSWESDM-YFKPBYRVSA-N -1 0 306.262 -0.600 20 0 DBADRM CN(CC(=O)NC1(C(=O)[O-])CCCCC1)[C@]1(CO)CCOC1 ZINC001598387383 1017263516 /nfs/dbraw/zinc/26/35/16/1017263516.db2.gz WWLDGIWHOOFFBA-AWEZNQCLSA-N -1 0 314.382 -0.027 20 0 DBADRM O=C(CNC(=O)CSc1n[nH]c(=O)[n-]1)Nc1cccnc1 ZINC001464675421 1009333327 /nfs/dbraw/zinc/33/33/27/1009333327.db2.gz YODZMFFWFDUVBN-UHFFFAOYSA-N -1 0 308.323 -0.248 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cnc(OC)c(Cl)c1 ZINC001464692854 1009336224 /nfs/dbraw/zinc/33/62/24/1009336224.db2.gz GGCOFYROSYOSIO-UHFFFAOYSA-N -1 0 309.731 -0.301 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCn2c(CC3CC3)nnc2C1 ZINC001598409972 1017266881 /nfs/dbraw/zinc/26/68/81/1017266881.db2.gz WXXBKGOZQLZOCD-UHFFFAOYSA-N -1 0 321.381 -0.021 20 0 DBADRM CN(CC(C)(C)CNC(=O)c1nnc[nH]1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598423469 1017267157 /nfs/dbraw/zinc/26/71/57/1017267157.db2.gz DFUPKMREJLSMEI-RKDXNWHRSA-N -1 0 323.353 -0.260 20 0 DBADRM C[C@H](CNC(=O)CC1CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001447851212 1009349092 /nfs/dbraw/zinc/34/90/92/1009349092.db2.gz FTINAMNTRLULHF-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM CN(CC(=O)[O-])C(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1 ZINC001598412034 1017267946 /nfs/dbraw/zinc/26/79/46/1017267946.db2.gz SCJGMFSIGPMQEQ-UHFFFAOYSA-N -1 0 305.312 -0.494 20 0 DBADRM CN(CC(N)=O)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598430633 1017268135 /nfs/dbraw/zinc/26/81/35/1017268135.db2.gz VXURFVGSSPDMSV-OLZOCXBDSA-N -1 0 319.361 -0.059 20 0 DBADRM C[C@@H](NCc1nncn1C)[C@H](C)NC(=O)c1cnc[nH]c1=O ZINC001447850802 1009350484 /nfs/dbraw/zinc/35/04/84/1009350484.db2.gz DDPLXZUQILBMJC-BDAKNGLRSA-N -1 0 305.342 -0.393 20 0 DBADRM O=C([C@@H]1CCCn2ncnc21)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001464886780 1009352452 /nfs/dbraw/zinc/35/24/52/1009352452.db2.gz WCWYUROBZUNLNS-BDAKNGLRSA-N -1 0 304.314 -0.731 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)Cc2cncnc2)c1[O-] ZINC001447865950 1009358791 /nfs/dbraw/zinc/35/87/91/1009358791.db2.gz APTFISIHYHNMPR-MRVPVSSYSA-N -1 0 318.337 -0.309 20 0 DBADRM CCC[C@H](NC(=O)CN1CCCCC(=O)C1=O)c1nnn[n-]1 ZINC001465685378 1009381516 /nfs/dbraw/zinc/38/15/16/1009381516.db2.gz PSJIXMXWGLMUTF-VIFPVBQESA-N -1 0 308.342 -0.261 20 0 DBADRM COC(=O)C1(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1 ZINC001466143517 1009405224 /nfs/dbraw/zinc/40/52/24/1009405224.db2.gz FTRCWWVNALBNTR-UHFFFAOYSA-N -1 0 302.294 -0.490 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC001466258886 1009411808 /nfs/dbraw/zinc/41/18/08/1009411808.db2.gz UNKQNHIUDPIMAJ-VDTYLAMSSA-N -1 0 310.232 -0.397 20 0 DBADRM Cn1nc(C(=O)NCc2nc(=O)o[n-]2)cc1Br ZINC001466307711 1009415640 /nfs/dbraw/zinc/41/56/40/1009415640.db2.gz VARFNUUDDHFNMZ-UHFFFAOYSA-N -1 0 302.088 -0.211 20 0 DBADRM CCO[C@H]1C[C@H](O)C12CCN(C(=O)N=c1nn[n-]n1CC)CC2 ZINC001466547337 1009429121 /nfs/dbraw/zinc/42/91/21/1009429121.db2.gz NGYIRPGUHNQWNU-QWRGUYRKSA-N -1 0 324.385 -0.101 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)c2c[n-]ncc2=O)CC1 ZINC001466623599 1009437207 /nfs/dbraw/zinc/43/72/07/1009437207.db2.gz XAHAJUFZVWPREY-UHFFFAOYSA-N -1 0 314.367 -0.416 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)Cc2nncn2C)c1[O-] ZINC001448005068 1009442619 /nfs/dbraw/zinc/44/26/19/1009442619.db2.gz DNVLXEJLRGVRGK-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM COc1ncc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)cn1 ZINC001448002748 1009444337 /nfs/dbraw/zinc/44/43/37/1009444337.db2.gz MEMCHXXBTGIDNF-MRVPVSSYSA-N -1 0 307.339 -0.071 20 0 DBADRM CC(=O)C[C@@H]1COCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001466819761 1009448848 /nfs/dbraw/zinc/44/88/48/1009448848.db2.gz WRMXWYNXGMIHAA-SNVBAGLBSA-N -1 0 304.306 -0.157 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC001466835568 1009449300 /nfs/dbraw/zinc/44/93/00/1009449300.db2.gz SPMDSWAJAHAFOF-LBPRGKRZSA-N -1 0 308.294 -0.290 20 0 DBADRM Cn1cnc2cccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c21 ZINC001466837466 1009450629 /nfs/dbraw/zinc/45/06/29/1009450629.db2.gz HOJVJRCOFFYCJW-UHFFFAOYSA-N -1 0 324.362 -0.231 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001466838199 1009452173 /nfs/dbraw/zinc/45/21/73/1009452173.db2.gz UEFZGKVMMKFUTF-GHMZBOCLSA-N -1 0 318.395 -0.084 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001467284558 1009480421 /nfs/dbraw/zinc/48/04/21/1009480421.db2.gz ZCAHIRKLZAWWAE-MRVPVSSYSA-N -1 0 319.412 -0.361 20 0 DBADRM CNc1ncccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001466838099 1009452874 /nfs/dbraw/zinc/45/28/74/1009452874.db2.gz PTIDPGBCUDXKTI-UHFFFAOYSA-N -1 0 300.340 -0.681 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001466838200 1009452892 /nfs/dbraw/zinc/45/28/92/1009452892.db2.gz UEFZGKVMMKFUTF-MNOVXSKESA-N -1 0 318.395 -0.084 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cncc2[nH]cnc21 ZINC001466837407 1009452922 /nfs/dbraw/zinc/45/29/22/1009452922.db2.gz GWIUPYLLEUVOPX-UHFFFAOYSA-N -1 0 311.323 -0.846 20 0 DBADRM CN1CCO[C@@H](C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)C1=O ZINC001466901384 1009455155 /nfs/dbraw/zinc/45/51/55/1009455155.db2.gz GLSRHKKJZVBHLS-JTQLQIEISA-N -1 0 318.293 -0.836 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448040792 1009480384 /nfs/dbraw/zinc/48/03/84/1009480384.db2.gz UXJYBBBSMUIOPW-RKDXNWHRSA-N -1 0 310.358 -0.885 20 0 DBADRM COCn1ccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)n1 ZINC001467285289 1009481833 /nfs/dbraw/zinc/48/18/33/1009481833.db2.gz QYAMTQMIPSWEPO-SECBINFHSA-N -1 0 309.355 -0.070 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)C[C@H]2CCC(=O)N2)c1[O-] ZINC001448050117 1009495093 /nfs/dbraw/zinc/49/50/93/1009495093.db2.gz ABEGCJHFXIOJER-IONNQARKSA-N -1 0 323.353 -0.673 20 0 DBADRM CCn1nc(C)cc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001467455896 1009495415 /nfs/dbraw/zinc/49/54/15/1009495415.db2.gz DWNLVPBNUVVZLI-UHFFFAOYSA-N -1 0 305.342 -0.152 20 0 DBADRM Cc1nnccc1C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448053777 1009497892 /nfs/dbraw/zinc/49/78/92/1009497892.db2.gz LPZYZCMAXJKCCD-MRVPVSSYSA-N -1 0 305.342 -0.141 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H]2CCC(=O)O2)ccc1[O-] ZINC001467898570 1009525796 /nfs/dbraw/zinc/52/57/96/1009525796.db2.gz IYMGEHYQQVRPSE-SECBINFHSA-N -1 0 314.319 -0.056 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H](C)S1(=O)=O ZINC001467868450 1009528182 /nfs/dbraw/zinc/52/81/82/1009528182.db2.gz DGORZJFXWDRUNI-HTQZYQBOSA-N -1 0 318.355 -0.887 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CC(C)(F)F ZINC001448114183 1009535211 /nfs/dbraw/zinc/53/52/11/1009535211.db2.gz WSNDPSMTQLVCIM-LURJTMIESA-N -1 0 321.284 -0.645 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001468114112 1009540807 /nfs/dbraw/zinc/54/08/07/1009540807.db2.gz CLOHSDGANZPWEI-GFCCVEGCSA-N -1 0 313.383 -0.440 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001468114120 1009540897 /nfs/dbraw/zinc/54/08/97/1009540897.db2.gz CLOHSDGANZPWEI-LBPRGKRZSA-N -1 0 313.383 -0.440 20 0 DBADRM Cc1nc(CN(C)[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001448126261 1009550869 /nfs/dbraw/zinc/55/08/69/1009550869.db2.gz XJCHASZSYGSHAC-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM CN(C[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)c1cc[nH]c1 ZINC001598436873 1017270998 /nfs/dbraw/zinc/27/09/98/1017270998.db2.gz QVZOMLNEHZSDAL-JTQLQIEISA-N -1 0 319.321 -0.530 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC001468542315 1009570846 /nfs/dbraw/zinc/57/08/46/1009570846.db2.gz YQGNZGFIHIOQBB-RXMQYKEDSA-N -1 0 323.231 -0.440 20 0 DBADRM Cn1c(CO)nc2cc(C(=O)Nn3c(=O)[n-][nH]c3=O)ccc21 ZINC001468541861 1009571661 /nfs/dbraw/zinc/57/16/61/1009571661.db2.gz FPEFNJCKEFMAFO-UHFFFAOYSA-N -1 0 304.266 -0.548 20 0 DBADRM O=C(C[C@@H](O)C(Cl)(Cl)Cl)Nn1c(=O)[n-][nH]c1=O ZINC001468541799 1009571892 /nfs/dbraw/zinc/57/18/92/1009571892.db2.gz CDOMBDCGUUPSQL-UWTATZPHSA-N -1 0 305.505 -0.119 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCOC[C@H]1CC(F)F ZINC001598471256 1017271761 /nfs/dbraw/zinc/27/17/61/1017271761.db2.gz YVTDMOFXJBFTFE-MRVPVSSYSA-N -1 0 316.326 -0.006 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1cnn(CCF)c1 ZINC001598470094 1017272193 /nfs/dbraw/zinc/27/21/93/1017272193.db2.gz GEUNJSPBBAVRNP-UHFFFAOYSA-N -1 0 308.335 -0.407 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCN(C(=O)C2CC2)C1 ZINC001598470986 1017272607 /nfs/dbraw/zinc/27/26/07/1017272607.db2.gz RWNNLOQJLKWLRF-UHFFFAOYSA-N -1 0 305.356 -0.851 20 0 DBADRM CN(CCC(=O)N1CC(O)(C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001598469000 1017272968 /nfs/dbraw/zinc/27/29/68/1017272968.db2.gz PKAQCPBBPTWJNO-UHFFFAOYSA-N -1 0 302.327 -0.099 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@](O)(C2CC2)C1 ZINC001598470555 1017273205 /nfs/dbraw/zinc/27/32/05/1017273205.db2.gz OSDNRFXHNBVTDH-GFCCVEGCSA-N -1 0 306.384 -0.125 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598477532 1017275593 /nfs/dbraw/zinc/27/55/93/1017275593.db2.gz QACIOTQPYHYRTI-KVSVUVNWSA-N -1 0 324.377 -0.094 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)Cc1ncc[nH]1 ZINC001598477376 1017275691 /nfs/dbraw/zinc/27/56/91/1017275691.db2.gz MUWDSTMDQSAIPX-WDEREUQCSA-N -1 0 322.365 -0.020 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1nncn1C ZINC001598477413 1017275812 /nfs/dbraw/zinc/27/58/12/1017275812.db2.gz NTCJHRSQAMTIOY-QWRGUYRKSA-N -1 0 309.370 -0.184 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CC12CC2 ZINC001448184688 1009600606 /nfs/dbraw/zinc/60/06/06/1009600606.db2.gz DTFPCKPGLJDYRX-SECBINFHSA-N -1 0 307.354 -0.637 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC001598480968 1017277319 /nfs/dbraw/zinc/27/73/19/1017277319.db2.gz OPAKLHZLXAOCQN-QXEWZRGKSA-N -1 0 319.383 -0.777 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1cncnc1 ZINC001598480728 1017277585 /nfs/dbraw/zinc/27/75/85/1017277585.db2.gz ZNVQXNLETJCMOU-QWRGUYRKSA-N -1 0 306.322 -0.224 20 0 DBADRM CN(CCN1CCOC(C)(C)C1)CC(=O)NCCC(=O)[O-] ZINC001598488455 1017282650 /nfs/dbraw/zinc/28/26/50/1017282650.db2.gz BNWAGBGOTLXPAD-UHFFFAOYSA-N -1 0 301.387 -0.380 20 0 DBADRM CN(CCCO)C(=O)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001598482982 1017278569 /nfs/dbraw/zinc/27/85/69/1017278569.db2.gz LGBRYWOVLYKMSQ-UHFFFAOYSA-N -1 0 308.334 -0.229 20 0 DBADRM CS(=O)(=O)C1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC001469018847 1009613499 /nfs/dbraw/zinc/61/34/99/1009613499.db2.gz FPJRSZIWRHMFKH-UHFFFAOYSA-N -1 0 324.318 -0.695 20 0 DBADRM CN(CCCNC(=O)c1cn(C)nn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598481609 1017279397 /nfs/dbraw/zinc/27/93/97/1017279397.db2.gz VNQNVTHCUVZVRA-RKDXNWHRSA-N -1 0 309.326 -0.886 20 0 DBADRM CN(CCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598481423 1017279818 /nfs/dbraw/zinc/27/98/18/1017279818.db2.gz RICFADGQWDKOPR-LVEVGFFFSA-N -1 0 310.350 -0.436 20 0 DBADRM CN(CCCn1ccnc1)C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001598484666 1017279978 /nfs/dbraw/zinc/27/99/78/1017279978.db2.gz ANWIVSAKOPUCEC-GHMZBOCLSA-N -1 0 308.338 -0.432 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)Cc1ccon1 ZINC001598486945 1017280047 /nfs/dbraw/zinc/28/00/47/1017280047.db2.gz XHQGEUOZBRLYCL-QWRGUYRKSA-N -1 0 309.322 -0.145 20 0 DBADRM CN(CCN(C)c1nccn2nnnc12)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598487367 1017280410 /nfs/dbraw/zinc/28/04/10/1017280410.db2.gz MGESSBZSJYOJHT-DTWKUNHWSA-N -1 0 319.325 -0.865 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)CCc1c[nH]cn1 ZINC001598486547 1017280574 /nfs/dbraw/zinc/28/05/74/1017280574.db2.gz PYJTXQFMJGNSEZ-NWDGAFQWSA-N -1 0 322.365 -0.020 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])CC(=O)NCC1CCC1 ZINC001598489417 1017282900 /nfs/dbraw/zinc/28/29/00/1017282900.db2.gz PGPAFRBMUORNBF-RYUDHWBXSA-N -1 0 311.382 -0.329 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1n[nH]c2c1CCC2 ZINC001598489363 1017281980 /nfs/dbraw/zinc/28/19/80/1017281980.db2.gz OLFYNTPENDVXCP-UWVGGRQHSA-N -1 0 320.349 -0.193 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)CSCC(N)=O)c1nc(=O)o[n-]1 ZINC001469343977 1009651530 /nfs/dbraw/zinc/65/15/30/1009651530.db2.gz VRNBGSZPTJGKBJ-QMMMGPOBSA-N -1 0 302.356 -0.215 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@@H](c2nc(=O)o[n-]2)C(C)(C)C)C1=O ZINC001469342718 1009652559 /nfs/dbraw/zinc/65/25/59/1009652559.db2.gz OFCFHAUBUYSLFJ-SFYZADRCSA-N -1 0 312.326 -0.577 20 0 DBADRM COC(=O)COCC(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001469342038 1009652627 /nfs/dbraw/zinc/65/26/27/1009652627.db2.gz KCIRGVSCXSWJHD-VIFPVBQESA-N -1 0 301.299 -0.244 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)CN1CCCCC(=O)C1=O ZINC001469541688 1009668674 /nfs/dbraw/zinc/66/86/74/1009668674.db2.gz SNZJSGAWIUQAAK-UHFFFAOYSA-N -1 0 314.338 -0.043 20 0 DBADRM COC(=O)C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccncc1 ZINC001469574498 1009671857 /nfs/dbraw/zinc/67/18/57/1009671857.db2.gz QSJPOJCGYRTHJZ-VIFPVBQESA-N -1 0 321.293 -0.495 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1 ZINC001469796117 1009687403 /nfs/dbraw/zinc/68/74/03/1009687403.db2.gz SYOYMCJJVQKQCA-JTQLQIEISA-N -1 0 323.353 -0.653 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CC[C@@]2(O)C[C@H]2C1 ZINC001470141477 1009719594 /nfs/dbraw/zinc/71/95/94/1009719594.db2.gz ONPKZJAJCXENAU-ZUZCIYMTSA-N -1 0 316.317 -0.137 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[n-]ncc1=O ZINC001470227009 1009725670 /nfs/dbraw/zinc/72/56/70/1009725670.db2.gz LYXMZUDQLICVMJ-NXEZZACHSA-N -1 0 314.367 -0.228 20 0 DBADRM Cc1noc(CCC(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001448351441 1009727394 /nfs/dbraw/zinc/72/73/94/1009727394.db2.gz QBJZSGLXRTVKDS-UHFFFAOYSA-N -1 0 307.314 -0.666 20 0 DBADRM COc1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)ncn1 ZINC001448354385 1009733550 /nfs/dbraw/zinc/73/35/50/1009733550.db2.gz WXEYKQVKCUPSCT-UHFFFAOYSA-N -1 0 305.298 -0.878 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@@H](CCSC)c1nnn[n-]1 ZINC001470328717 1009737875 /nfs/dbraw/zinc/73/78/75/1009737875.db2.gz FYXSYIPEJNCVHA-ZETCQYMHSA-N -1 0 307.401 -0.455 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001470446497 1009748245 /nfs/dbraw/zinc/74/82/45/1009748245.db2.gz QBBADNMMCQJJOF-KXUCPTDWSA-N -1 0 311.342 -0.187 20 0 DBADRM C[C@H](CCNC(=O)C(C)(C)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001448418414 1009758109 /nfs/dbraw/zinc/75/81/09/1009758109.db2.gz OVYHQVWKEKPGON-ZCFIWIBFSA-N -1 0 315.305 -0.345 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2cc(F)cc(F)c2[O-])C[C@H]1C(N)=O ZINC001470561732 1009759509 /nfs/dbraw/zinc/75/95/09/1009759509.db2.gz IXVKNGOVYDDFHW-HTQZYQBOSA-N -1 0 313.260 -0.671 20 0 DBADRM CN(C(=O)CC1(NC(=O)OC(C)(C)C)COC1)c1nnn[n-]1 ZINC001470572695 1009760706 /nfs/dbraw/zinc/76/07/06/1009760706.db2.gz SKWLEIXAQMWLQZ-UHFFFAOYSA-N -1 0 312.330 -0.154 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)[N-]n2ccc(=O)[nH]c2=O)s1 ZINC001470661385 1009774729 /nfs/dbraw/zinc/77/47/29/1009774729.db2.gz OHRWZBQWYFWREV-UHFFFAOYSA-N -1 0 315.332 -0.202 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC[C@@H]1CCCS1(=O)=O ZINC001470702476 1009777992 /nfs/dbraw/zinc/77/79/92/1009777992.db2.gz QPOXNVJBWBXFHA-VIFPVBQESA-N -1 0 307.372 -0.679 20 0 DBADRM O=C(N[C@@H]1COC[C@@H]1O)c1nc[n-]c(=O)c1Br ZINC001470947259 1009798829 /nfs/dbraw/zinc/79/88/29/1009798829.db2.gz KVTSIPDJPGTGGX-UHNVWZDZSA-N -1 0 304.100 -0.566 20 0 DBADRM O=C(NC[C@H](CO)[C@@H]1CCOC1)c1c[n-]n2c1nccc2=O ZINC001448484332 1009801664 /nfs/dbraw/zinc/80/16/64/1009801664.db2.gz YOISWWKNQWTNJQ-NXEZZACHSA-N -1 0 306.322 -0.603 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1cc2c([nH]c1=O)CCCC2 ZINC001471302671 1009815826 /nfs/dbraw/zinc/81/58/26/1009815826.db2.gz SJIWDFZBLPFOAU-UHFFFAOYSA-N -1 0 319.321 -0.015 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC(=O)N(CC2CC2)C1 ZINC001448555642 1009817486 /nfs/dbraw/zinc/81/74/86/1009817486.db2.gz XJHOKTGFPKMBFJ-UHFFFAOYSA-N -1 0 309.326 -0.492 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCC(c3nnn[n-]3)CC1)CC2 ZINC001471337525 1009817696 /nfs/dbraw/zinc/81/76/96/1009817696.db2.gz ZSHMYGMMMZNNCQ-SNVBAGLBSA-N -1 0 316.369 -0.161 20 0 DBADRM O=C(CNC(=O)NCc1ccco1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001471459510 1009824445 /nfs/dbraw/zinc/82/44/45/1009824445.db2.gz GCYXSQPJQUAGJX-SECBINFHSA-N -1 0 319.325 -0.392 20 0 DBADRM Cc1cc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)ncc1C(N)=O ZINC001471460837 1009824605 /nfs/dbraw/zinc/82/46/05/1009824605.db2.gz SLPIJFVVPOMECV-QMMMGPOBSA-N -1 0 301.310 -0.368 20 0 DBADRM CN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccn1 ZINC001471493623 1009825946 /nfs/dbraw/zinc/82/59/46/1009825946.db2.gz BPWCCJBWAZAPRT-UHFFFAOYSA-N -1 0 306.326 -0.273 20 0 DBADRM O=C(CCc1nnn[n-]1)NCC[C@@]1(O)C(=O)Nc2ccccc21 ZINC001471643808 1009834880 /nfs/dbraw/zinc/83/48/80/1009834880.db2.gz JXOCWAOPLXIDIW-AWEZNQCLSA-N -1 0 316.321 -0.522 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)c1cccc(-n2cncn2)n1 ZINC001471659952 1009837292 /nfs/dbraw/zinc/83/72/92/1009837292.db2.gz JQOBKKPFOZGWSY-UHFFFAOYSA-N -1 0 311.309 -0.015 20 0 DBADRM CN(CCn1cnnc1)C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001471673485 1009840343 /nfs/dbraw/zinc/84/03/43/1009840343.db2.gz DFECFSLMRWGDRJ-UHFFFAOYSA-N -1 0 324.366 -0.183 20 0 DBADRM O=C(NCC[C@H]1CNC(=O)C1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001471749040 1009842511 /nfs/dbraw/zinc/84/25/11/1009842511.db2.gz LGODPBRHMMFYJE-SSDOTTSWSA-N -1 0 317.305 -0.308 20 0 DBADRM COC[C@@H](NC(=O)c1ccnc2[nH]c(C)nc21)c1nnn[n-]1 ZINC001471844653 1009848155 /nfs/dbraw/zinc/84/81/55/1009848155.db2.gz MVPIMLKNTHDJKZ-MRVPVSSYSA-N -1 0 302.298 -0.103 20 0 DBADRM COC[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1nnn[n-]1 ZINC001471843863 1009848600 /nfs/dbraw/zinc/84/86/00/1009848600.db2.gz PQVKQNJYIXKSBG-VIFPVBQESA-N -1 0 318.293 -0.352 20 0 DBADRM COC[C@H](NC(=O)CC(=O)NCC(F)(F)F)c1nnn[n-]1 ZINC001471845389 1009848891 /nfs/dbraw/zinc/84/88/91/1009848891.db2.gz LSOZFUBLACZCQN-YFKPBYRVSA-N -1 0 310.236 -0.928 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](O)CCc1ccccc1)c1nnn[n-]1 ZINC001471845070 1009848985 /nfs/dbraw/zinc/84/89/85/1009848985.db2.gz CUILTMNPVQUBLF-NEPJUHHUSA-N -1 0 305.338 -0.003 20 0 DBADRM COC[C@H](NC(=O)[C@@H](O)CCc1ccccc1)c1nnn[n-]1 ZINC001471845076 1009849803 /nfs/dbraw/zinc/84/98/03/1009849803.db2.gz CUILTMNPVQUBLF-RYUDHWBXSA-N -1 0 305.338 -0.003 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)O1 ZINC001471854361 1009850589 /nfs/dbraw/zinc/85/05/89/1009850589.db2.gz UWDWRLCODXMMBR-MXWKQRLJSA-N -1 0 323.353 -0.299 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001471853723 1009851233 /nfs/dbraw/zinc/85/12/33/1009851233.db2.gz MNNKESOIQSMSCU-VHSXEESVSA-N -1 0 315.399 -0.339 20 0 DBADRM O=C(c1cnn(CCO)c1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001471855219 1009851297 /nfs/dbraw/zinc/85/12/97/1009851297.db2.gz OJLSYWXRGZDJDI-SNVBAGLBSA-N -1 0 305.342 -0.517 20 0 DBADRM NS(=O)(=O)CCCC(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001471853310 1009851681 /nfs/dbraw/zinc/85/16/81/1009851681.db2.gz IXPOWRULUICWAN-SECBINFHSA-N -1 0 316.387 -0.951 20 0 DBADRM C[C@]1(C2CCN(C(=O)CCc3nnn[n-]3)CC2)COC(=O)N1 ZINC001471908344 1009854128 /nfs/dbraw/zinc/85/41/28/1009854128.db2.gz LUJHVWSAXWPONU-CYBMUJFWSA-N -1 0 308.342 -0.131 20 0 DBADRM CC(C)O[C@@]1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCOC1 ZINC001471998304 1009859227 /nfs/dbraw/zinc/85/92/27/1009859227.db2.gz PKOPDXHJMCNPIH-GFCCVEGCSA-N -1 0 300.315 -0.610 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CC2(CCOCC2)CC[C@@H]1CO ZINC001471986907 1009859736 /nfs/dbraw/zinc/85/97/36/1009859736.db2.gz JOYVMUQKXGJAKU-LLVKDONJSA-N -1 0 309.370 -0.088 20 0 DBADRM C[C@H]1CO[C@@H](C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)C1 ZINC001472128170 1009867452 /nfs/dbraw/zinc/86/74/52/1009867452.db2.gz AKQBSJDUKNHDHN-GHMZBOCLSA-N -1 0 321.381 -0.030 20 0 DBADRM CCC[C@H](C)C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001448772628 1009872588 /nfs/dbraw/zinc/87/25/88/1009872588.db2.gz YVIVONMGZWUGAK-QMMMGPOBSA-N -1 0 311.342 -0.093 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCc1cnc2n1CCOC2 ZINC001472284875 1009878267 /nfs/dbraw/zinc/87/82/67/1009878267.db2.gz ZLHZAXXLAJFZFK-UHFFFAOYSA-N -1 0 310.339 -0.355 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2c[n-]ncc2=O)C[C@H]1C(=O)OC ZINC001472349998 1009881036 /nfs/dbraw/zinc/88/10/36/1009881036.db2.gz NZQJFHCDGFZLFF-RKDXNWHRSA-N -1 0 309.278 -0.784 20 0 DBADRM CC1CC(C(=O)NCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001448799086 1009881182 /nfs/dbraw/zinc/88/11/82/1009881182.db2.gz TZIFTOKPSPDHEM-UHFFFAOYSA-N -1 0 311.342 -0.690 20 0 DBADRM COc1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)ncn1 ZINC001472960383 1009905548 /nfs/dbraw/zinc/90/55/48/1009905548.db2.gz YUHJRHWIKMERNZ-UHFFFAOYSA-N -1 0 319.325 -0.733 20 0 DBADRM C[C@@H]1CCN(Cc2cc(=O)n3[n-]c(N)nc3n2)[C@H](C(N)=O)C1 ZINC001473408778 1009918993 /nfs/dbraw/zinc/91/89/93/1009918993.db2.gz IENSIBFTTMEVAB-APPZFPTMSA-N -1 0 305.342 -0.914 20 0 DBADRM Cc1cc(CN[C@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])no1 ZINC001448835750 1009944355 /nfs/dbraw/zinc/94/43/55/1009944355.db2.gz MEICCLKVHSSNHW-JTQLQIEISA-N -1 0 309.326 -0.399 20 0 DBADRM Cc1cc(CN[C@@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])nn1C ZINC001448848080 1009967667 /nfs/dbraw/zinc/96/76/67/1009967667.db2.gz ZGMQMXODCQINTB-LLVKDONJSA-N -1 0 322.369 -0.654 20 0 DBADRM O=C(CCc1ccncc1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001448855344 1009977569 /nfs/dbraw/zinc/97/75/69/1009977569.db2.gz FXAVCQQIQNJVCV-LLVKDONJSA-N -1 0 320.353 -0.895 20 0 DBADRM NC(=O)[C@H]1CN(S(=O)(=O)c2cc([O-])cc(F)c2)CCO1 ZINC001474891781 1009983813 /nfs/dbraw/zinc/98/38/13/1009983813.db2.gz JZOXOVCHGKGLPE-SNVBAGLBSA-N -1 0 304.299 -0.594 20 0 DBADRM NC(=O)C1([N-]S(=O)(=O)N=S2(=O)CCCC2)CCCC1 ZINC001474985971 1009988370 /nfs/dbraw/zinc/98/83/70/1009988370.db2.gz OHZXAHKEDZIQKR-UHFFFAOYSA-N -1 0 309.413 -0.119 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)C[C@@H]2CCOC2)n[nH]1 ZINC001475031068 1009995004 /nfs/dbraw/zinc/99/50/04/1009995004.db2.gz SSQIVCNQEVUHMH-QMMMGPOBSA-N -1 0 303.340 -0.147 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)CC1(CC(=O)OC)CC1 ZINC001475140756 1010002407 /nfs/dbraw/zinc/00/24/07/1010002407.db2.gz QTYWSDDQEJWVKY-VIFPVBQESA-N -1 0 323.367 -0.827 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@@H]1CCCC(C)(C)O1 ZINC001475139845 1010002892 /nfs/dbraw/zinc/00/28/92/1010002892.db2.gz FDFPOUUUDICBPS-VHSXEESVSA-N -1 0 309.384 -0.213 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)N=S(C)(C)=O)C1=O ZINC001475264754 1010012608 /nfs/dbraw/zinc/01/26/08/1010012608.db2.gz QWCMXCXQDFIMLA-QMMMGPOBSA-N -1 0 312.373 -0.816 20 0 DBADRM Cc1cnc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)c(C)c1 ZINC001448886404 1010017057 /nfs/dbraw/zinc/01/70/57/1010017057.db2.gz TYPDDCQGWXSGDT-JTQLQIEISA-N -1 0 320.353 -0.597 20 0 DBADRM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)CS1(=O)=O ZINC001475470068 1010030248 /nfs/dbraw/zinc/03/02/48/1010030248.db2.gz JUEGAANOHDXCFS-HTQZYQBOSA-N -1 0 318.442 -0.486 20 0 DBADRM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001475453015 1010031913 /nfs/dbraw/zinc/03/19/13/1010031913.db2.gz GTONPZTTYXERHK-MDTSDYNXSA-N -1 0 319.380 -0.704 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@@H](OC)C2)n[nH]1 ZINC001475552956 1010036396 /nfs/dbraw/zinc/03/63/96/1010036396.db2.gz HBLMAGKTDRINMD-OCAPTIKFSA-N -1 0 303.340 -0.100 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@]34C[C@H]3COC4)cc-2c(=O)[n-]1 ZINC001475691157 1010048327 /nfs/dbraw/zinc/04/83/27/1010048327.db2.gz FPSOBCHJQLSFFP-QTTZVWFDSA-N -1 0 324.318 -0.497 20 0 DBADRM CC[C@](COC)(NCC(=O)NCC(=O)N1CCCC1)C(=O)[O-] ZINC001595194824 1017080866 /nfs/dbraw/zinc/08/08/66/1017080866.db2.gz LTTTUUMVLNEDKK-CQSZACIVSA-N -1 0 315.370 -0.806 20 0 DBADRM CC[C@@H](NC(=O)COCc1ocnc1C(=O)OC)C(=O)[O-] ZINC001595242375 1017080961 /nfs/dbraw/zinc/08/09/61/1017080961.db2.gz CJSSSAZECVZODH-SSDOTTSWSA-N -1 0 300.267 -0.043 20 0 DBADRM CC[C@H](NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1)C(=O)[O-] ZINC001595232568 1017081166 /nfs/dbraw/zinc/08/11/66/1017081166.db2.gz DMQOPOADLAKNGA-BKDNQFJXSA-N -1 0 307.306 -0.063 20 0 DBADRM Cc1noc(C2([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)CC2)n1 ZINC001475784090 1010057417 /nfs/dbraw/zinc/05/74/17/1010057417.db2.gz JWMMHJKNQCSFOF-LJQANCHMSA-N -1 0 323.400 -0.224 20 0 DBADRM Cc1noc(C2([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)CC2)n1 ZINC001475784089 1010057527 /nfs/dbraw/zinc/05/75/27/1010057527.db2.gz JWMMHJKNQCSFOF-IBGZPJMESA-N -1 0 323.400 -0.224 20 0 DBADRM CC[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C(C)(C)O ZINC001595243348 1017081455 /nfs/dbraw/zinc/08/14/55/1017081455.db2.gz ZTJHIPYLHMCONB-NXEZZACHSA-N -1 0 300.355 -0.025 20 0 DBADRM CC[C@H](NC(=O)COCc1ocnc1C(=O)[O-])C(=O)OC ZINC001595242537 1017081709 /nfs/dbraw/zinc/08/17/09/1017081709.db2.gz JYFUMYIJIKIKPU-ZETCQYMHSA-N -1 0 300.267 -0.043 20 0 DBADRM CC[C@](COC)(NS(=O)(=O)CC1(N(C)C)CC1)C(=O)[O-] ZINC001595200082 1017081758 /nfs/dbraw/zinc/08/17/58/1017081758.db2.gz TWVPNJRAYYRUAG-GFCCVEGCSA-N -1 0 308.400 -0.120 20 0 DBADRM CC[C@@H](CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-])OC ZINC001595203593 1017081784 /nfs/dbraw/zinc/08/17/84/1017081784.db2.gz SXMRNAHBXLJBTQ-VHSXEESVSA-N -1 0 322.383 -0.594 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)c2cnn(C[C@@H](O)CO)c2)c1 ZINC001595244547 1017082660 /nfs/dbraw/zinc/08/26/60/1017082660.db2.gz XFZGFWPTEZTPQL-CYBMUJFWSA-N -1 0 319.317 -0.136 20 0 DBADRM CC[C@@]1(C(=O)O[C@@H](C)c2cn(CC(=O)[O-])nn2)CCNC1=O ZINC001595368336 1017083242 /nfs/dbraw/zinc/08/32/42/1017083242.db2.gz GSAOUJKMZUQBSO-ISVAXAHUSA-N -1 0 310.310 -0.117 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC001476595494 1010073710 /nfs/dbraw/zinc/07/37/10/1010073710.db2.gz WOGNAJJGLZSBCV-VIFPVBQESA-N -1 0 322.350 -0.235 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC001476595132 1010074233 /nfs/dbraw/zinc/07/42/33/1010074233.db2.gz NEGTUDVKNLRWFT-LLVKDONJSA-N -1 0 315.337 -0.180 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H](O)COc1cccc(C)c1 ZINC001476594387 1010074887 /nfs/dbraw/zinc/07/48/87/1010074887.db2.gz OJYMBLCIKUKZAT-LLVKDONJSA-N -1 0 320.353 -0.015 20 0 DBADRM CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001595365422 1017083497 /nfs/dbraw/zinc/08/34/97/1017083497.db2.gz TZQUZDGYPKZXST-ZJUUUORDSA-N -1 0 310.350 -0.413 20 0 DBADRM CCC1(Cn2cc(C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])nn2)COC1 ZINC001595386111 1017083899 /nfs/dbraw/zinc/08/38/99/1017083899.db2.gz YQEMPJTZGASQFB-KOLCDFICSA-N -1 0 324.337 -0.635 20 0 DBADRM CCC1(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])COC1 ZINC001595372728 1017084017 /nfs/dbraw/zinc/08/40/17/1017084017.db2.gz SEWFXMPGXKGYIL-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM CCC1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)COC1 ZINC001595366367 1017084387 /nfs/dbraw/zinc/08/43/87/1017084387.db2.gz GSKHFFHYPJOZEJ-QPUJVOFHSA-N -1 0 305.352 -0.583 20 0 DBADRM CC[C@]1(C)CCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1 ZINC001595370964 1017085037 /nfs/dbraw/zinc/08/50/37/1017085037.db2.gz KSBCTUXTXCYQPW-UEKVPHQBSA-N -1 0 312.366 -0.071 20 0 DBADRM CCC1(Cn2cc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)[O-])nn2)COC1 ZINC001595386036 1017085241 /nfs/dbraw/zinc/08/52/41/1017085241.db2.gz VVNRGCQCSFWIFP-KOLCDFICSA-N -1 0 324.337 -0.323 20 0 DBADRM CC[C@]1(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CCNC1=O ZINC001595365393 1017085374 /nfs/dbraw/zinc/08/53/74/1017085374.db2.gz SFODMWDKUGNOCJ-XPTSAGLGSA-N -1 0 321.337 -0.334 20 0 DBADRM CCC[C@H](C(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-])S(N)(=O)=O ZINC001595532947 1017089411 /nfs/dbraw/zinc/08/94/11/1017089411.db2.gz PXYALUKCFVYHGZ-LNLATYFQSA-N -1 0 322.383 -0.466 20 0 DBADRM CC[C@H]1[C@@H](CO)CCN1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001595407389 1017086383 /nfs/dbraw/zinc/08/63/83/1017086383.db2.gz HYAQFOCNTFHFHQ-MNOVXSKESA-N -1 0 315.370 -0.230 20 0 DBADRM CC[C@@H](C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])N1CCO[C@H](CC)C1 ZINC001595484701 1017086551 /nfs/dbraw/zinc/08/65/51/1017086551.db2.gz XHMWPBFBXLYETE-FVCCEPFGSA-N -1 0 314.382 -0.078 20 0 DBADRM CC[C@@H]1C(=O)NCCN1c1cc(C)nc2nc(C(=O)[O-])nn21 ZINC001595405020 1017087781 /nfs/dbraw/zinc/08/77/81/1017087781.db2.gz OGNJTGSVCMLEKD-MRVPVSSYSA-N -1 0 304.310 -0.154 20 0 DBADRM CCc1ccc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001448953551 1010114503 /nfs/dbraw/zinc/11/45/03/1010114503.db2.gz VQCKYDLXMFMNIK-LBPRGKRZSA-N -1 0 319.365 -0.047 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC001479112549 1010189536 /nfs/dbraw/zinc/18/95/36/1010189536.db2.gz NWNMIUUUGWYSIG-ZCFIWIBFSA-N -1 0 310.236 -0.642 20 0 DBADRM CC(C)CCC(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001449071067 1010200784 /nfs/dbraw/zinc/20/07/84/1010200784.db2.gz DSRDYKRLNNQJAG-UHFFFAOYSA-N -1 0 311.342 -0.093 20 0 DBADRM CN(CCN1CCOCC1)C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001598489147 1017283194 /nfs/dbraw/zinc/28/31/94/1017283194.db2.gz VXZAGBWQCRIIKB-UHFFFAOYSA-N -1 0 311.342 -0.086 20 0 DBADRM CN(CCNC(=O)Cc1cscn1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598490266 1017284507 /nfs/dbraw/zinc/28/45/07/1017284507.db2.gz JAIPELKXNFRJRV-VHSXEESVSA-N -1 0 311.363 -0.019 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1nnnn1C(C)(C)C ZINC001598490410 1017284717 /nfs/dbraw/zinc/28/47/17/1017284717.db2.gz GYMRDPAKHKQZGG-ZJUUUORDSA-N -1 0 324.385 -0.303 20 0 DBADRM CN(CCNC(=O)CCc1cn(C)nn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598491467 1017284935 /nfs/dbraw/zinc/28/49/35/1017284935.db2.gz ZRRYPFDLYMANKY-MNOVXSKESA-N -1 0 323.353 -0.957 20 0 DBADRM CN(CCNC(=O)CCn1ccnn1)c1ccnc(C(=O)[O-])n1 ZINC001598490870 1017285453 /nfs/dbraw/zinc/28/54/53/1017285453.db2.gz PFKVDSDVLIQTPM-UHFFFAOYSA-N -1 0 319.325 -0.591 20 0 DBADRM CN(CCNC(=O)C[C@@H]1CCC(=O)N1)c1ccnc(C(=O)[O-])n1 ZINC001598491708 1017285461 /nfs/dbraw/zinc/28/54/61/1017285461.db2.gz SRELIDVKWVQKNG-VIFPVBQESA-N -1 0 321.337 -0.604 20 0 DBADRM CN(CCNC(=O)Cc1cscn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598490267 1017286117 /nfs/dbraw/zinc/28/61/17/1017286117.db2.gz JAIPELKXNFRJRV-ZJUUUORDSA-N -1 0 311.363 -0.019 20 0 DBADRM Cc1cc(CNC[C@@H](O)CN(C)C(=O)c2n[nH]c(C)c2[O-])no1 ZINC001449122312 1010277034 /nfs/dbraw/zinc/27/70/34/1010277034.db2.gz XCCGAFWVQVWBAC-LLVKDONJSA-N -1 0 323.353 -0.057 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001598494457 1017286747 /nfs/dbraw/zinc/28/67/47/1017286747.db2.gz YUBFVMXQQKHSME-UHFFFAOYSA-N -1 0 319.343 -0.869 20 0 DBADRM CN(CCNC(=O)c1ncccn1)c1ccnc(C(=O)[O-])n1 ZINC001598495251 1017287024 /nfs/dbraw/zinc/28/70/24/1017287024.db2.gz HUHHDMCPAXVUTR-UHFFFAOYSA-N -1 0 302.294 -0.169 20 0 DBADRM CN(CCNC(=O)c1cn(C)ccc1=O)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598493300 1017287602 /nfs/dbraw/zinc/28/76/02/1017287602.db2.gz VWCUUXZRWLEMDS-ZJUUUORDSA-N -1 0 321.333 -0.706 20 0 DBADRM CN(Cc1ncccn1)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598538838 1017296800 /nfs/dbraw/zinc/29/68/00/1017296800.db2.gz VEUOOWHAKXBFAC-SNVBAGLBSA-N -1 0 306.322 -0.242 20 0 DBADRM CN(CCNC(=O)c1ccc(C(=O)[O-])o1)CCS(C)(=O)=O ZINC001598492764 1017288617 /nfs/dbraw/zinc/28/86/17/1017288617.db2.gz RXDSGGNWBNJSOA-UHFFFAOYSA-N -1 0 318.351 -0.316 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCn2c(CC3CC3)nnc2C1 ZINC001479463062 1010289825 /nfs/dbraw/zinc/28/98/25/1010289825.db2.gz GNBTZUSFXURMGA-UHFFFAOYSA-N -1 0 308.342 -0.567 20 0 DBADRM CN(CCNc1nccn2nnnc12)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598496213 1017290899 /nfs/dbraw/zinc/29/08/99/1017290899.db2.gz ZLTGYOVZMFEMFW-SFYZADRCSA-N -1 0 305.298 -0.890 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)[C@]1(F)CCOC1 ZINC001598495512 1017291125 /nfs/dbraw/zinc/29/11/25/1017291125.db2.gz ITEKFNVMRQFFSL-ZDUSSCGKSA-N -1 0 312.301 -0.404 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)c1cn(C)nn1 ZINC001598495983 1017291549 /nfs/dbraw/zinc/29/15/49/1017291549.db2.gz SCZBKHZLNFYKKJ-UHFFFAOYSA-N -1 0 305.298 -0.513 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@@H]1CCNC1=O ZINC001598495601 1017291677 /nfs/dbraw/zinc/29/16/77/1017291677.db2.gz KQKVZJDIZPRWFQ-SECBINFHSA-N -1 0 307.310 -0.819 20 0 DBADRM CN(CCOCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1ncc[nH]1 ZINC001598497822 1017292866 /nfs/dbraw/zinc/29/28/66/1017292866.db2.gz LJAYNTNDRMHYAY-UWVGGRQHSA-N -1 0 324.337 -0.665 20 0 DBADRM CN(CCOCCNC(=O)C(F)F)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598498086 1017292939 /nfs/dbraw/zinc/29/29/39/1017292939.db2.gz QCTGRTLSLZUSAV-SFYZADRCSA-N -1 0 308.281 -0.437 20 0 DBADRM CN(CCn1cccn1)C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001598503273 1017293095 /nfs/dbraw/zinc/29/30/95/1017293095.db2.gz GVGYORAHSQQKOO-ZETOZRRWSA-N -1 0 320.349 -0.289 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cn1c(C)nc2ccccc2c1=O ZINC001598521429 1017294740 /nfs/dbraw/zinc/29/47/40/1017294740.db2.gz RHDOOLTZYCNKLD-UHFFFAOYSA-N -1 0 304.306 -0.501 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001598515134 1017295290 /nfs/dbraw/zinc/29/52/90/1017295290.db2.gz UBKWEOYOEXKDLA-VIFPVBQESA-N -1 0 306.278 -0.664 20 0 DBADRM CN(Cc1noc(CCCC(=O)[O-])n1)CC(C)(CO)CO ZINC001598542331 1017295691 /nfs/dbraw/zinc/29/56/91/1017295691.db2.gz XWCHOXGOTSXLRN-UHFFFAOYSA-N -1 0 301.343 -0.100 20 0 DBADRM CN(Cc1cn(C)nn1)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001598533884 1017295913 /nfs/dbraw/zinc/29/59/13/1017295913.db2.gz UXVHQGOUTAAQKX-UHFFFAOYSA-N -1 0 311.342 -0.162 20 0 DBADRM CN(Cc1ccc(C(N)=O)cc1)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001598517750 1017296273 /nfs/dbraw/zinc/29/62/73/1017296273.db2.gz KOASVNVZFIVUCG-UHFFFAOYSA-N -1 0 317.305 -0.266 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(Br)[nH]c1=O ZINC001598520391 1017296492 /nfs/dbraw/zinc/29/64/92/1017296492.db2.gz BRJANACUZGIMHA-UHFFFAOYSA-N -1 0 304.100 -0.043 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001598514420 1017296509 /nfs/dbraw/zinc/29/65/09/1017296509.db2.gz IRRRYIARUWCANL-JTQLQIEISA-N -1 0 313.335 -0.570 20 0 DBADRM CN(Cc1ccccc1)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001598526888 1017296577 /nfs/dbraw/zinc/29/65/77/1017296577.db2.gz BLTNPWWQVGQIRY-STQMWFEESA-N -1 0 320.345 -0.061 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001598521599 1017296590 /nfs/dbraw/zinc/29/65/90/1017296590.db2.gz WKCPFIDRPYNWEF-NTSWFWBYSA-N -1 0 318.273 -0.997 20 0 DBADRM CN(CCCNC(=O)[C@]1(C)CCC(=O)NC1)Cc1n[nH]c(=O)[n-]1 ZINC001479791068 1010387398 /nfs/dbraw/zinc/38/73/98/1010387398.db2.gz BRNHFQFENVUKNA-CQSZACIVSA-N -1 0 324.385 -0.635 20 0 DBADRM CCN(CCNC(=O)C1CC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001449272219 1010418915 /nfs/dbraw/zinc/41/89/15/1010418915.db2.gz OTALHWNBDGUMOF-UHFFFAOYSA-N -1 0 308.338 -0.526 20 0 DBADRM CC(C)(C(N)=O)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001479905293 1010436298 /nfs/dbraw/zinc/43/62/98/1010436298.db2.gz ACPBGFPHYOGCRL-MRVPVSSYSA-N -1 0 310.358 -0.898 20 0 DBADRM COCCOCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001479900731 1010439617 /nfs/dbraw/zinc/43/96/17/1010439617.db2.gz ZCZNIINHHIJUDQ-SNVBAGLBSA-N -1 0 313.358 -0.746 20 0 DBADRM C[C@H](C(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1CC1 ZINC001479928811 1010451247 /nfs/dbraw/zinc/45/12/47/1010451247.db2.gz NQNAWXFXYLREDX-NSHDSACASA-N -1 0 322.413 -0.210 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H](C)NC(=O)C(C)(C)F ZINC001449560404 1010510257 /nfs/dbraw/zinc/51/02/57/1010510257.db2.gz NMWMXLHKIVJUCU-RNFRBKRXSA-N -1 0 317.321 -0.553 20 0 DBADRM C[C@@H](NC(=O)C(F)F)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001449581388 1010516429 /nfs/dbraw/zinc/51/64/29/1010516429.db2.gz VDFCTQDEHBSMBC-IUYQGCFVSA-N -1 0 305.241 -0.829 20 0 DBADRM O=C(N[C@@H]1COC[C@H]1O)c1nc[n-]c(=O)c1Br ZINC001449659166 1010538397 /nfs/dbraw/zinc/53/83/97/1010538397.db2.gz KVTSIPDJPGTGGX-RFZPGFLSSA-N -1 0 304.100 -0.566 20 0 DBADRM CC[C@H]1COCCN1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001595500498 1017090026 /nfs/dbraw/zinc/09/00/26/1017090026.db2.gz NNROUNIURDWQCG-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM CCC[C@@H](C(=O)N(C)[C@H](COC(C)C)C(=O)[O-])S(N)(=O)=O ZINC001595532450 1017090107 /nfs/dbraw/zinc/09/01/07/1017090107.db2.gz JUHWZJXPCZGEOC-ZJUUUORDSA-N -1 0 324.399 -0.220 20 0 DBADRM CCC[C@@H](C(=O)N1CCC[C@]1(COC)C(=O)[O-])S(N)(=O)=O ZINC001595533160 1017090297 /nfs/dbraw/zinc/09/02/97/1017090297.db2.gz SXAOTTRREDNDKX-CABZTGNLSA-N -1 0 322.383 -0.464 20 0 DBADRM C[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H](C)N1CCO ZINC001449684519 1010547474 /nfs/dbraw/zinc/54/74/74/1010547474.db2.gz OPWJVKLWSRPWPW-DTORHVGOSA-N -1 0 315.399 -0.484 20 0 DBADRM CCC[C@@H](C)N1C[C@@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1=O ZINC001595579954 1017092271 /nfs/dbraw/zinc/09/22/71/1017092271.db2.gz YRBXEKHLWARXFW-SVDPJWKOSA-N -1 0 300.355 -0.026 20 0 DBADRM CCC[C@H](C(=O)N[C@@]1(CC(=O)[O-])CCOC1)S(N)(=O)=O ZINC001595536343 1017092512 /nfs/dbraw/zinc/09/25/12/1017092512.db2.gz XFVNAIOCSLYGRJ-LDYMZIIASA-N -1 0 308.356 -0.806 20 0 DBADRM CCC[C@@](C)(O)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001595565937 1017092976 /nfs/dbraw/zinc/09/29/76/1017092976.db2.gz MDTIDECIEMRSGK-MWODSPESSA-N -1 0 303.359 -0.186 20 0 DBADRM CCC[C@H](CCO)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001595592165 1017093029 /nfs/dbraw/zinc/09/30/29/1017093029.db2.gz UYLWUQIDJZIARE-MNOVXSKESA-N -1 0 300.355 -0.023 20 0 DBADRM CCC[C@H](C)N1C[C@H](C(=O)NC[C@H](O)CC(=O)[O-])CC1=O ZINC001595578841 1017093283 /nfs/dbraw/zinc/09/32/83/1017093283.db2.gz OTMJPBDSRQEKQE-HBNTYKKESA-N -1 0 300.355 -0.025 20 0 DBADRM CCC[C@H](C)N1C[C@H](C(=O)N[C@](C)(CO)C(=O)[O-])CC1=O ZINC001595579107 1017093338 /nfs/dbraw/zinc/09/33/38/1017093338.db2.gz QYUDEZSLZIFCOD-IMSIIYSGSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)CC(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001449800049 1010564964 /nfs/dbraw/zinc/56/49/64/1010564964.db2.gz BOADIGAMLODCBY-MRVPVSSYSA-N -1 0 311.342 -0.094 20 0 DBADRM Cn1cc([C@@H]2[C@@H](C(=O)[N-]OC3CCC3)[C@@H](O)C(=O)N2C)cn1 ZINC001449804075 1010566636 /nfs/dbraw/zinc/56/66/36/1010566636.db2.gz YCKSWGCJZNDPBJ-IJLUTSLNSA-N -1 0 308.338 -0.489 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001595637465 1017094893 /nfs/dbraw/zinc/09/48/93/1017094893.db2.gz HZXGOZJOGPWBPD-BBBLOLIVSA-N -1 0 301.343 -0.086 20 0 DBADRM CCCCC(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001595625535 1017095540 /nfs/dbraw/zinc/09/55/40/1017095540.db2.gz FDOMIVHPVGMHPS-GHMZBOCLSA-N -1 0 312.366 -0.023 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001595787507 1017100050 /nfs/dbraw/zinc/10/00/50/1017100050.db2.gz LRHJJBFKPLQDFO-LLVKDONJSA-N -1 0 310.347 -0.269 20 0 DBADRM CCCC[C@@H](C(=O)[O-])S(=O)(=O)CC(=O)N1CCOCC1 ZINC001595629217 1017096709 /nfs/dbraw/zinc/09/67/09/1017096709.db2.gz DVLBXUNBTGMUQZ-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM CCCCNC(=O)CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001595754017 1017097664 /nfs/dbraw/zinc/09/76/64/1017097664.db2.gz KFCVSOMNTREQDG-UHFFFAOYSA-N -1 0 306.384 -0.476 20 0 DBADRM CCCCOCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001595771130 1017098275 /nfs/dbraw/zinc/09/82/75/1017098275.db2.gz VRCNJDQNHLREJI-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001595720495 1017098525 /nfs/dbraw/zinc/09/85/25/1017098525.db2.gz DTGPHQLCWOSBJW-LBPRGKRZSA-N -1 0 307.368 -0.361 20 0 DBADRM CCCCOCCNC(=O)CN1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001595771720 1017098892 /nfs/dbraw/zinc/09/88/92/1017098892.db2.gz IPBJYRICCZADRC-AAEUAGOBSA-N -1 0 302.371 -0.171 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598550392 1017297907 /nfs/dbraw/zinc/29/79/07/1017297907.db2.gz CFMUTBFBRPGEPC-ONGXEEELSA-N -1 0 321.337 -0.239 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)NC[C@H](CC(=O)[O-])C2CC2)C1=O ZINC001598550168 1017298380 /nfs/dbraw/zinc/29/83/80/1017298380.db2.gz ZJJKRLOCSALIAZ-UWVGGRQHSA-N -1 0 311.338 -0.066 20 0 DBADRM CN1C(=O)CC[C@H]1CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001598548044 1017298998 /nfs/dbraw/zinc/29/89/98/1017298998.db2.gz NGJKCRQARGIAQY-QMMMGPOBSA-N -1 0 307.310 -0.630 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001598547825 1017299190 /nfs/dbraw/zinc/29/91/90/1017299190.db2.gz JTDDZQCHHMAAPV-JTQLQIEISA-N -1 0 307.310 -0.630 20 0 DBADRM CCn1cc(CN2CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)nn1 ZINC001480349656 1010615953 /nfs/dbraw/zinc/61/59/53/1010615953.db2.gz XJQFEAOVPWKROA-UHFFFAOYSA-N -1 0 319.369 -0.007 20 0 DBADRM CC[C@@H](F)C(=O)N(C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001450030669 1010617884 /nfs/dbraw/zinc/61/78/84/1010617884.db2.gz ZAZIZZHNTJPPSD-RNFRBKRXSA-N -1 0 315.305 -0.392 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])[C@@H]1c1cccnc1 ZINC001598552802 1017300258 /nfs/dbraw/zinc/30/02/58/1017300258.db2.gz DOGZIEWGLNEDFV-SCVCMEIPSA-N -1 0 307.306 -0.837 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)/C=C1/SCC(=O)N1C)C(=O)[O-] ZINC001598553699 1017300326 /nfs/dbraw/zinc/30/03/26/1017300326.db2.gz NGQOGBLAGIUDOK-IGLBNKAOSA-N -1 0 310.335 -0.291 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])C1=O ZINC001598551149 1017300350 /nfs/dbraw/zinc/30/03/50/1017300350.db2.gz MSBNKBAIXHNQAD-RKDXNWHRSA-N -1 0 313.310 -0.981 20 0 DBADRM CC[C@H](F)C(=O)N(C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001450030678 1010619021 /nfs/dbraw/zinc/61/90/21/1010619021.db2.gz ZAZIZZHNTJPPSD-RQJHMYQMSA-N -1 0 315.305 -0.392 20 0 DBADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1=O ZINC001598555584 1017300518 /nfs/dbraw/zinc/30/05/18/1017300518.db2.gz PUIQQPWYZMNPKM-DRNSDYETSA-N -1 0 323.349 -0.066 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)[C@@H]1C[C@H]1C ZINC001450047488 1010621700 /nfs/dbraw/zinc/62/17/00/1010621700.db2.gz PKMQUSADQULKFF-IWSPIJDZSA-N -1 0 311.342 -0.692 20 0 DBADRM CN1C(=O)CN(NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC001598551989 1017301199 /nfs/dbraw/zinc/30/11/99/1017301199.db2.gz YUFVEZDETCBHHA-UHFFFAOYSA-N -1 0 320.261 -0.752 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])C1=O ZINC001598551145 1017301375 /nfs/dbraw/zinc/30/13/75/1017301375.db2.gz MSBNKBAIXHNQAD-DTWKUNHWSA-N -1 0 313.310 -0.981 20 0 DBADRM CN1C(=O)CN(CC(=O)NCc2ccc(C(=O)[O-])cc2)C1=O ZINC001598551518 1017302048 /nfs/dbraw/zinc/30/20/48/1017302048.db2.gz RBFBWIBGQHJAJT-UHFFFAOYSA-N -1 0 305.290 -0.105 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)/C=C/[C@H]2COC(C)(C)O2)CC1=O ZINC001598561592 1017303014 /nfs/dbraw/zinc/30/30/14/1017303014.db2.gz DYVVMMNMARVGET-OCIBVNFRSA-N -1 0 312.322 -0.552 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccnc3ccnn32)CC1=O ZINC001598561466 1017303129 /nfs/dbraw/zinc/30/31/29/1017303129.db2.gz AVVSCEYGGDLUEH-VIFPVBQESA-N -1 0 303.278 -0.903 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc3[nH]cnc3c2)CC1=O ZINC001598561727 1017303496 /nfs/dbraw/zinc/30/34/96/1017303496.db2.gz CTLHPBYUDPGJFQ-LLVKDONJSA-N -1 0 302.290 -0.070 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)C(=O)Nc2ccccc2F)CC1=O ZINC001598561620 1017303503 /nfs/dbraw/zinc/30/35/03/1017303503.db2.gz FMHDIEAACJAZFE-SNVBAGLBSA-N -1 0 323.280 -0.482 20 0 DBADRM CS(=O)(=O)CC1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001450113168 1010639264 /nfs/dbraw/zinc/63/92/64/1010639264.db2.gz URYIDPFXBLJBSK-UHFFFAOYSA-N -1 0 301.372 -0.585 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CCO)(NC(=O)CC3CC3)C2)c1[O-] ZINC001450126930 1010640195 /nfs/dbraw/zinc/64/01/95/1010640195.db2.gz LZDDGZPPYSUMDT-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)NCC1=O ZINC001598559334 1017303619 /nfs/dbraw/zinc/30/36/19/1017303619.db2.gz ICUWNVZHGJKCJK-RYUDHWBXSA-N -1 0 311.382 -0.186 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)CCNC(=O)C(C)(C)C)CC1=O ZINC001598561741 1017303626 /nfs/dbraw/zinc/30/36/26/1017303626.db2.gz DVYKWTJJSLNKRF-SECBINFHSA-N -1 0 313.354 -0.707 20 0 DBADRM CN1C[C@H](C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c2ccccc2C1=O ZINC001598558790 1017303845 /nfs/dbraw/zinc/30/38/45/1017303845.db2.gz FHVRBMDCQPLYNJ-JIMOISOXSA-N -1 0 318.329 -0.098 20 0 DBADRM CN1C[C@@H](C(=O)N(CCC(=O)[O-])Cc2ccncc2)NC1=O ZINC001598560594 1017303875 /nfs/dbraw/zinc/30/38/75/1017303875.db2.gz TUVWJBVXUSRTLA-NSHDSACASA-N -1 0 306.322 -0.092 20 0 DBADRM COCc1noc(CN[C@@H](C)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001480448923 1010643417 /nfs/dbraw/zinc/64/34/17/1010643417.db2.gz RFDUSNPTDZPMLS-ZETCQYMHSA-N -1 0 324.341 -0.139 20 0 DBADRM CCCn1nnnc1CN[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001480448061 1010643992 /nfs/dbraw/zinc/64/39/92/1010643992.db2.gz OJLRGCSGPSDXSJ-MRVPVSSYSA-N -1 0 322.373 -0.272 20 0 DBADRM CN1C[C@H](COC(=O)Cn2cccc(C(=O)[O-])c2=O)CCC1=O ZINC001598566440 1017309973 /nfs/dbraw/zinc/30/99/73/1017309973.db2.gz GLEGAUBOMASHMM-SNVBAGLBSA-N -1 0 322.317 -0.042 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1nnc(C2CC2)[nH]1 ZINC001450177695 1010658961 /nfs/dbraw/zinc/65/89/61/1010658961.db2.gz DZIQBDBEDSFYNB-UHFFFAOYSA-N -1 0 314.309 -0.617 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc3n[nH]nc3c2)CC1=O ZINC001598563972 1017308680 /nfs/dbraw/zinc/30/86/80/1017308680.db2.gz XFACUUGATFXYRE-SNVBAGLBSA-N -1 0 303.278 -0.675 20 0 DBADRM CN1C[C@H](CCNC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1=O ZINC001598565788 1017309350 /nfs/dbraw/zinc/30/93/50/1017309350.db2.gz JFVNHTWCOBYEPL-SNVBAGLBSA-N -1 0 321.333 -0.469 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001598547059 1017297554 /nfs/dbraw/zinc/29/75/54/1017297554.db2.gz FQXHSPZPEAWLMN-JTQLQIEISA-N -1 0 321.337 -0.286 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001598547833 1017297578 /nfs/dbraw/zinc/29/75/78/1017297578.db2.gz JXIOYGHCGNRMSJ-QMTHXVAHSA-N -1 0 308.338 -0.147 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])C1=O ZINC001598546085 1017297632 /nfs/dbraw/zinc/29/76/32/1017297632.db2.gz ZYJFMDBSXCIBGG-SSDOTTSWSA-N -1 0 313.310 -0.587 20 0 DBADRM O=C(CNC(=O)C1CC1)NC1CN(C(=O)c2ncccc2O)C1 ZINC001450280592 1010675073 /nfs/dbraw/zinc/67/50/73/1010675073.db2.gz RGBXCDDXTHTRPL-UHFFFAOYSA-N -1 0 318.333 -0.746 20 0 DBADRM CC(C)[C@H](C)C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001450543473 1010754682 /nfs/dbraw/zinc/75/46/82/1010754682.db2.gz UPIHOLYZYCQBGE-VIFPVBQESA-N -1 0 322.365 -0.281 20 0 DBADRM CC1(C(=O)N[C@H]2C[C@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001450645925 1010777860 /nfs/dbraw/zinc/77/78/60/1010777860.db2.gz HRCZMHKFIYBRHX-KYZUINATSA-N -1 0 323.353 -0.500 20 0 DBADRM CCn1cc(CN(C)CCNC(=O)c2[nH]nc(C)c2[O-])nn1 ZINC001480856120 1010779309 /nfs/dbraw/zinc/77/93/09/1010779309.db2.gz UMHNRAMVJQCZOQ-UHFFFAOYSA-N -1 0 307.358 -0.103 20 0 DBADRM CCC1(C(=O)NCC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001450708315 1010787583 /nfs/dbraw/zinc/78/75/83/1010787583.db2.gz BHSGBTQVQJDJGV-UHFFFAOYSA-N -1 0 321.337 -0.339 20 0 DBADRM CO[C@@H](C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1)[C@@H]1CCOC1 ZINC001480896984 1010797396 /nfs/dbraw/zinc/79/73/96/1010797396.db2.gz ZBDFJZRBFNSKFX-MWLCHTKSSA-N -1 0 313.358 -0.890 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H]1c1cncn1C)Cc1n[nH]c(=O)[n-]1 ZINC001480913306 1010802046 /nfs/dbraw/zinc/80/20/46/1010802046.db2.gz KCIQCYZZTGCIQX-NXEZZACHSA-N -1 0 319.369 -0.405 20 0 DBADRM CN(CCNC(=O)c1cc(C2CC2)n[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001480916266 1010804489 /nfs/dbraw/zinc/80/44/89/1010804489.db2.gz PGHNPKFUPAYJIB-UHFFFAOYSA-N -1 0 305.342 -0.027 20 0 DBADRM Cc1nc(CN(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)c(C)o1 ZINC001480940493 1010811537 /nfs/dbraw/zinc/81/15/37/1010811537.db2.gz IWXUZWVFYOBUIU-UHFFFAOYSA-N -1 0 324.341 -0.458 20 0 DBADRM CN(CCNC(=O)[C@H]1Cc2cccnc2C1)Cc1n[nH]c(=O)[n-]1 ZINC001480940725 1010811728 /nfs/dbraw/zinc/81/17/28/1010811728.db2.gz RSULZNBDCUXSPC-NSHDSACASA-N -1 0 316.365 -0.132 20 0 DBADRM CCN(CCNC(=O)c1cn(C)ccc1=O)Cc1n[nH]c(=O)[n-]1 ZINC001480987312 1010822948 /nfs/dbraw/zinc/82/29/48/1010822948.db2.gz CJDQQCXFMTWCJM-UHFFFAOYSA-N -1 0 320.353 -0.539 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@@H]1CCCN1CCF ZINC001481062452 1010833112 /nfs/dbraw/zinc/83/31/12/1010833112.db2.gz CGDNZZPHHVDUPO-JTQLQIEISA-N -1 0 322.344 -0.379 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H](C)C1CC1 ZINC001451043597 1010841959 /nfs/dbraw/zinc/84/19/59/1010841959.db2.gz SGHPLPLWLGWEOT-IONNQARKSA-N -1 0 323.353 -0.047 20 0 DBADRM CN1CC[C@@H](C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)C1=O ZINC001481182488 1010856739 /nfs/dbraw/zinc/85/67/39/1010856739.db2.gz SXLAWFOLUGQTDD-JTQLQIEISA-N -1 0 322.369 -0.931 20 0 DBADRM CCCC(=O)NC[C@@H](CO)NC(=O)c1c[n-]n2c1nccc2=O ZINC001451283930 1010878509 /nfs/dbraw/zinc/87/85/09/1010878509.db2.gz UUPWEZTXHWPPHA-VIFPVBQESA-N -1 0 321.337 -0.970 20 0 DBADRM O=C(CCc1nnn[n-]1)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC001451365251 1010910571 /nfs/dbraw/zinc/91/05/71/1010910571.db2.gz CDRLKIFHNPDFQI-ZDUSSCGKSA-N -1 0 302.294 -0.004 20 0 DBADRM COC[C@H](C)N1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001481569128 1010915708 /nfs/dbraw/zinc/91/57/08/1010915708.db2.gz PCHBJHIYVHRXNP-QMMMGPOBSA-N -1 0 311.342 -0.949 20 0 DBADRM CCCCOCCN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001481597772 1010927393 /nfs/dbraw/zinc/92/73/93/1010927393.db2.gz KPAHLZSAAXFQTK-UHFFFAOYSA-N -1 0 313.358 -0.694 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)C2(C3CC3)CC2)c1[O-] ZINC001451426783 1010944229 /nfs/dbraw/zinc/94/42/29/1010944229.db2.gz WMXOBKNEVVZPJO-SNVBAGLBSA-N -1 0 322.365 -0.179 20 0 DBADRM Cc1oncc1CN1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001481657392 1010954930 /nfs/dbraw/zinc/95/49/30/1010954930.db2.gz XFSRBBBEJVHZJO-UHFFFAOYSA-N -1 0 322.325 -0.766 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)C2(C)CCC2)c1[O-] ZINC001451505144 1010973550 /nfs/dbraw/zinc/97/35/50/1010973550.db2.gz SAZIECHTONGJFI-VIFPVBQESA-N -1 0 310.354 -0.179 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481712654 1010977035 /nfs/dbraw/zinc/97/70/35/1010977035.db2.gz GYEHIQTYIMNLCR-WCBMZHEXSA-N -1 0 310.358 -0.932 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)[C@H](O)C(C)C)c1[O-] ZINC001451544142 1010988964 /nfs/dbraw/zinc/98/89/64/1010988964.db2.gz DWEQGMCYLVONFD-LDYMZIIASA-N -1 0 312.370 -0.077 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)C(C)(C)C ZINC001451633655 1011016385 /nfs/dbraw/zinc/01/63/85/1011016385.db2.gz WYPVGRGFBFMMHN-MRVPVSSYSA-N -1 0 313.358 -0.396 20 0 DBADRM CCC(=O)N[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CC(C)C ZINC001451708542 1011027162 /nfs/dbraw/zinc/02/71/62/1011027162.db2.gz UYFWTKJWBQZVOI-VIFPVBQESA-N -1 0 313.358 -0.254 20 0 DBADRM CCC(=O)N[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CC(C)C ZINC001451708540 1011027365 /nfs/dbraw/zinc/02/73/65/1011027365.db2.gz UYFWTKJWBQZVOI-SECBINFHSA-N -1 0 313.358 -0.254 20 0 DBADRM CN(CC(=O)NCc1ccccc1)C(=O)CCc1nnn[n-]1 ZINC001451845699 1011056567 /nfs/dbraw/zinc/05/65/67/1011056567.db2.gz GXZMDMSBCVADPZ-UHFFFAOYSA-N -1 0 302.338 -0.093 20 0 DBADRM CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001452015267 1011097099 /nfs/dbraw/zinc/09/70/99/1011097099.db2.gz QOSMHIPPSVSCHY-IWSPIJDZSA-N -1 0 323.353 -0.191 20 0 DBADRM Cn1cnc(C(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)cc1=O ZINC001452150504 1011115918 /nfs/dbraw/zinc/11/59/18/1011115918.db2.gz MQZCJRWPAXUJML-SECBINFHSA-N -1 0 307.310 -0.026 20 0 DBADRM CC(=O)NC1CC(N(C)C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001452219240 1011126241 /nfs/dbraw/zinc/12/62/41/1011126241.db2.gz APTLUJYBGSIQGT-UHFFFAOYSA-N -1 0 311.342 -0.405 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)C2CCCC2)c1[O-] ZINC001452218522 1011126250 /nfs/dbraw/zinc/12/62/50/1011126250.db2.gz KYIVLDWCRCFTLX-SNVBAGLBSA-N -1 0 310.354 -0.179 20 0 DBADRM CC[C@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)OC ZINC001452280184 1011156176 /nfs/dbraw/zinc/15/61/76/1011156176.db2.gz ZRXXNDLHLJXGIP-MRVPVSSYSA-N -1 0 300.315 -0.215 20 0 DBADRM Cc1noc(CCC(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001482618108 1011225386 /nfs/dbraw/zinc/22/53/86/1011225386.db2.gz FPOKWBHWXFHPNA-UHFFFAOYSA-N -1 0 323.357 -0.275 20 0 DBADRM CC(C)C(=O)N[C@H](C)C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001452360645 1011228270 /nfs/dbraw/zinc/22/82/70/1011228270.db2.gz SSGBFBGCRVFJMT-RKDXNWHRSA-N -1 0 313.358 -0.255 20 0 DBADRM CCCC1(C(=O)N2C[C@@H](NC(=O)c3cn[nH]n3)[C@@H](O)C2)CC1 ZINC001452753011 1011383225 /nfs/dbraw/zinc/38/32/25/1011383225.db2.gz IOFPGLIBRLRDBH-MNOVXSKESA-N -1 0 307.354 -0.314 20 0 DBADRM CN1C[C@H](O)C[C@]1(C)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001598568700 1017310208 /nfs/dbraw/zinc/31/02/08/1017310208.db2.gz DULOAPSQNYTNNS-GIPNMCIBSA-N -1 0 302.396 -0.282 20 0 DBADRM CN1C[C@H](CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)OC1=O ZINC001598567019 1017310407 /nfs/dbraw/zinc/31/04/07/1017310407.db2.gz OZNYQMLBILNAQW-BXUZGUMPSA-N -1 0 313.354 -0.702 20 0 DBADRM CN1C[C@H](CCNS(=O)(=O)CC(C)(C)C(=O)[O-])CC1=O ZINC001598567064 1017310468 /nfs/dbraw/zinc/31/04/68/1017310468.db2.gz PVMYWCSKAKGCLU-SECBINFHSA-N -1 0 306.384 -0.115 20 0 DBADRM CN(C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598568136 1017310904 /nfs/dbraw/zinc/31/09/04/1017310904.db2.gz OWZJXPITRJWKEJ-BBBLOLIVSA-N -1 0 311.338 -0.955 20 0 DBADRM CN1C[C@H](NS(=O)(=O)c2csnc2C(=O)[O-])CC1=O ZINC001598569443 1017310986 /nfs/dbraw/zinc/31/09/86/1017310986.db2.gz KILBCDKMWNFTHA-RXMQYKEDSA-N -1 0 305.337 -0.650 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(Cc2nccn2CC(F)F)CC1=O ZINC001598565847 1017311225 /nfs/dbraw/zinc/31/12/25/1017311225.db2.gz KLICZXGYSBDBBP-MRVPVSSYSA-N -1 0 302.281 -0.125 20 0 DBADRM CN1C[C@H](CCNS(=O)(=O)C2(C(=O)[O-])CCC2)CC1=O ZINC001598567044 1017311368 /nfs/dbraw/zinc/31/13/68/1017311368.db2.gz PHEJUDAZKJAHJD-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CN1C[C@H](O)C[C@@]1(C)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001598568695 1017311448 /nfs/dbraw/zinc/31/14/48/1017311448.db2.gz DULOAPSQNYTNNS-BREBYQMCSA-N -1 0 302.396 -0.282 20 0 DBADRM CN1C[C@H](CCNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1=O ZINC001598566590 1017311589 /nfs/dbraw/zinc/31/15/89/1017311589.db2.gz XZYHUQRUWVLNEV-GMTAPVOTSA-N -1 0 313.354 -0.668 20 0 DBADRM CN1CC[C@@](C)(COC(=O)Cn2cccc(C(=O)[O-])c2=O)C1=O ZINC001598577277 1017314233 /nfs/dbraw/zinc/31/42/33/1017314233.db2.gz CJCYFWHTSSZXGM-HNNXBMFYSA-N -1 0 322.317 -0.042 20 0 DBADRM CN1C[C@H](OC(=O)CS(=O)(=O)C2CC2)C[C@]1(C)C(=O)[O-] ZINC001598572041 1017315468 /nfs/dbraw/zinc/31/54/68/1017315468.db2.gz GZQNQSLJLWIMEN-PRHODGIISA-N -1 0 305.352 -0.346 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCSC[C@H]2C(=O)[O-])S1(=O)=O ZINC001598580558 1017316285 /nfs/dbraw/zinc/31/62/85/1017316285.db2.gz LTWKHUPYIJEGHJ-YUMQZZPRSA-N -1 0 308.381 -0.951 20 0 DBADRM CN1CC[C@@H](C(=O)OCC(=O)C(C)(C)C(=O)[O-])S1(=O)=O ZINC001598578274 1017316611 /nfs/dbraw/zinc/31/66/11/1017316611.db2.gz OCTGWIFNCUJGAO-ZETCQYMHSA-N -1 0 307.324 -0.757 20 0 DBADRM CN1CC[C@H](C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001598579478 1017316823 /nfs/dbraw/zinc/31/68/23/1017316823.db2.gz YNXVSONHLUWOBD-IUCAKERBSA-N -1 0 307.310 -0.772 20 0 DBADRM CN1CC[C@H](C(=O)Nc2cccc(C(=O)[O-])c2N)S1(=O)=O ZINC001598579238 1017317234 /nfs/dbraw/zinc/31/72/34/1017317234.db2.gz QIWNXULLFUOBTL-SECBINFHSA-N -1 0 313.335 -0.061 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)S1(=O)=O ZINC001598579780 1017317706 /nfs/dbraw/zinc/31/77/06/1017317706.db2.gz VQPSKAXLAVZPPD-NZHYYXIDSA-N -1 0 316.379 -0.364 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)S1(=O)=O ZINC001598579777 1017317758 /nfs/dbraw/zinc/31/77/58/1017317758.db2.gz VQPSKAXLAVZPPD-APLZJWDSSA-N -1 0 316.379 -0.364 20 0 DBADRM CN1CC[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2N)S1(=O)=O ZINC001598579239 1017318091 /nfs/dbraw/zinc/31/80/91/1017318091.db2.gz QIWNXULLFUOBTL-VIFPVBQESA-N -1 0 313.335 -0.061 20 0 DBADRM CN1CC[C@H](C(=O)OCC(=O)C(C)(C)C(=O)[O-])S1(=O)=O ZINC001598578271 1017318382 /nfs/dbraw/zinc/31/83/82/1017318382.db2.gz OCTGWIFNCUJGAO-SSDOTTSWSA-N -1 0 307.324 -0.757 20 0 DBADRM CN([C@H]1CCN(C)C1=O)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001598585617 1017319504 /nfs/dbraw/zinc/31/95/04/1017319504.db2.gz UDSJACINTAHTPH-VIFPVBQESA-N -1 0 313.335 -0.369 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)cc1C(=O)[O-] ZINC001598585320 1017319528 /nfs/dbraw/zinc/31/95/28/1017319528.db2.gz JOAFZYZSNDLPPM-MRVPVSSYSA-N -1 0 308.294 -0.991 20 0 DBADRM CN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001598585004 1017320862 /nfs/dbraw/zinc/32/08/62/1017320862.db2.gz KQBOYBLSGQYFDY-SECBINFHSA-N -1 0 315.351 -0.426 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@H]2CCN(C)C2=O)cc1C(=O)[O-] ZINC001598585322 1017321266 /nfs/dbraw/zinc/32/12/66/1017321266.db2.gz JOAFZYZSNDLPPM-QMMMGPOBSA-N -1 0 308.294 -0.991 20 0 DBADRM CN1CC[C@@H](CNS(=O)(=O)CC(C)(C)C(=O)[O-])CC1=O ZINC001598584508 1017321610 /nfs/dbraw/zinc/32/16/10/1017321610.db2.gz WAJZLCKPANMHIR-SECBINFHSA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001452961611 1011480440 /nfs/dbraw/zinc/48/04/40/1011480440.db2.gz QCDZOEBPZGXQGJ-AXTSPUMRSA-N -1 0 323.353 -0.644 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CCNCc2nnn(C)n2)c1[O-] ZINC001482823670 1011495230 /nfs/dbraw/zinc/49/52/30/1011495230.db2.gz MOSLDZGUYDBKCS-SSDOTTSWSA-N -1 0 308.346 -0.755 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001453230914 1011568275 /nfs/dbraw/zinc/56/82/75/1011568275.db2.gz LVBYWIVEJGGNCU-JGVFFNPUSA-N -1 0 315.305 -0.846 20 0 DBADRM CCn1ncc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)n1 ZINC001483003298 1011589931 /nfs/dbraw/zinc/58/99/31/1011589931.db2.gz GCZQYULIKYHGAR-ONEGZZNKSA-N -1 0 306.330 -0.803 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)c1n[nH]c2c1CCC2 ZINC001483029667 1011623629 /nfs/dbraw/zinc/62/36/29/1011623629.db2.gz YUILETMBKSRMSU-OWOJBTEDSA-N -1 0 317.353 -0.202 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)[C@@H]3CCOC3)CC2)c1[O-] ZINC001453342194 1011629186 /nfs/dbraw/zinc/62/91/86/1011629186.db2.gz VCIICOOYHUYQEQ-SECBINFHSA-N -1 0 308.338 -0.161 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3ccnnc3)CC2)c1[O-] ZINC001453365466 1011638963 /nfs/dbraw/zinc/63/89/63/1011638963.db2.gz ZYDMCPHYTZCFEV-UHFFFAOYSA-N -1 0 316.321 -0.094 20 0 DBADRM Cc1ncoc1CNC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001483086900 1011671140 /nfs/dbraw/zinc/67/11/40/1011671140.db2.gz JAAVDFJTEBEPEW-IHWYPQMZSA-N -1 0 322.325 -0.552 20 0 DBADRM CC(=O)NCC(=O)N1CCC(NC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001453735980 1011807746 /nfs/dbraw/zinc/80/77/46/1011807746.db2.gz SZXAGOCOKUMAFC-UHFFFAOYSA-N -1 0 323.353 -0.719 20 0 DBADRM CC(C)NC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001454116297 1011869375 /nfs/dbraw/zinc/86/93/75/1011869375.db2.gz KDMZKBHYAHOYCO-VIFPVBQESA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001454193196 1011885776 /nfs/dbraw/zinc/88/57/76/1011885776.db2.gz WOIDLLZFPVWIKY-FUTROLMKSA-N -1 0 321.289 -0.775 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N(C)CCC[NH2+]Cc1nnnn1C ZINC001483486052 1011888158 /nfs/dbraw/zinc/88/81/58/1011888158.db2.gz ABQQJJRUNCWIJM-UHFFFAOYSA-N -1 0 320.357 -0.734 20 0 DBADRM Cc1nc2c(c(=O)[nH]1)CN(C(=O)CSc1n[nH]c(=O)[n-]1)C2 ZINC001454284026 1011900744 /nfs/dbraw/zinc/90/07/44/1011900744.db2.gz COENVOLJFAGEFB-UHFFFAOYSA-N -1 0 308.323 -0.051 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001454368582 1011944576 /nfs/dbraw/zinc/94/45/76/1011944576.db2.gz NBBCOUDYMGKIIZ-PRJMDXOYSA-N -1 0 309.326 -0.294 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N1CCN(CC(=O)[O-])CC1 ZINC001595783908 1017100857 /nfs/dbraw/zinc/10/08/57/1017100857.db2.gz VCIOYWCBKVHYNM-UHFFFAOYSA-N -1 0 306.384 -0.570 20 0 DBADRM CCCCn1nccc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001595810823 1017101629 /nfs/dbraw/zinc/10/16/29/1017101629.db2.gz QYCHLAABTFWDDL-VIFPVBQESA-N -1 0 312.326 -0.427 20 0 DBADRM CCCN(C)CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001595835402 1017102107 /nfs/dbraw/zinc/10/21/07/1017102107.db2.gz NLGMRNJUIMXHDJ-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM COC[C@H](NC(=O)c1cnc2c(c1)c(C)nn2C)c1nnn[n-]1 ZINC001595888002 1017103270 /nfs/dbraw/zinc/10/32/70/1017103270.db2.gz DPSXQIMEQREDOF-JTQLQIEISA-N -1 0 316.325 -0.093 20 0 DBADRM COC[C@H](NC(=O)CCSCC(=O)OC)c1nnn[n-]1 ZINC001595888901 1017103486 /nfs/dbraw/zinc/10/34/86/1017103486.db2.gz JIITYTXIUMDHDL-ZETCQYMHSA-N -1 0 303.344 -0.700 20 0 DBADRM CCCN(CN1C[C@@H](C(=O)[O-])CC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001595886031 1017103606 /nfs/dbraw/zinc/10/36/06/1017103606.db2.gz SUOUWQZTVGTPOF-WDEREUQCSA-N -1 0 318.395 -0.224 20 0 DBADRM CCCN(CCNC(=O)c1cn[nH]n1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001595883183 1017104107 /nfs/dbraw/zinc/10/41/07/1017104107.db2.gz UCEODEBANUCALI-IUCAKERBSA-N -1 0 309.326 -0.506 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)c1ccnc(S(N)(=O)=O)c1 ZINC001595853146 1017104266 /nfs/dbraw/zinc/10/42/66/1017104266.db2.gz GTZGCQIUZNJROB-UHFFFAOYSA-N -1 0 301.324 -0.334 20 0 DBADRM CCCN(CCNC(=O)c1cn[nH]n1)c1ccnc(C(=O)[O-])n1 ZINC001595882923 1017104482 /nfs/dbraw/zinc/10/44/82/1017104482.db2.gz OJBCZDNEFUHWHM-UHFFFAOYSA-N -1 0 319.325 -0.061 20 0 DBADRM COC[C@H](NC(=O)c1cnc2cc(C)nn2c1C)c1nnn[n-]1 ZINC001595887614 1017104512 /nfs/dbraw/zinc/10/45/12/1017104512.db2.gz BNICOGAZRPVAMN-JTQLQIEISA-N -1 0 316.325 -0.023 20 0 DBADRM COC[C@H](NC(=O)c1ccnc2c1ncn2C)c1nnn[n-]1 ZINC001595889792 1017104577 /nfs/dbraw/zinc/10/45/77/1017104577.db2.gz YNHRSELCYIDVOJ-QMMMGPOBSA-N -1 0 302.298 -0.401 20 0 DBADRM CCCN(CCC)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001595872391 1017104807 /nfs/dbraw/zinc/10/48/07/1017104807.db2.gz AZJQXQLVQAUXQX-GHMZBOCLSA-N -1 0 300.355 -0.071 20 0 DBADRM O=C(CCOCC(F)F)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001483651724 1012016611 /nfs/dbraw/zinc/01/66/11/1012016611.db2.gz XVNDJOFMBDHUAH-MRVPVSSYSA-N -1 0 319.312 -0.127 20 0 DBADRM CCCN1C[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)CC1=O ZINC001595895629 1017106445 /nfs/dbraw/zinc/10/64/45/1017106445.db2.gz GBGKHJSTEWKYIP-BXKDBHETSA-N -1 0 308.338 -0.080 20 0 DBADRM CCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001595915367 1017107109 /nfs/dbraw/zinc/10/71/09/1017107109.db2.gz JWYFLWIJJUODGG-LURJTMIESA-N -1 0 304.328 -0.699 20 0 DBADRM CCCNC(=O)CNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001595926056 1017107877 /nfs/dbraw/zinc/10/78/77/1017107877.db2.gz FWFSVHZNYJRNIS-UHFFFAOYSA-N -1 0 301.324 -0.416 20 0 DBADRM CCCNC(=O)[C@H](C)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001595915487 1017107964 /nfs/dbraw/zinc/10/79/64/1017107964.db2.gz OWQKWOAKTFRGTE-QMMMGPOBSA-N -1 0 313.310 -0.080 20 0 DBADRM CCCN1C[C@H](C(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)CC1=O ZINC001595895632 1017108136 /nfs/dbraw/zinc/10/81/36/1017108136.db2.gz GBGKHJSTEWKYIP-SKDRFNHKSA-N -1 0 308.338 -0.080 20 0 DBADRM O=C(CCc1ccc(=O)[nH]c1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454553962 1012034220 /nfs/dbraw/zinc/03/42/20/1012034220.db2.gz NRDSFTGHWDSRQQ-SNVBAGLBSA-N -1 0 304.310 -0.167 20 0 DBADRM O=C([C@@H]1CCCn2ncnc21)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454553947 1012034693 /nfs/dbraw/zinc/03/46/93/1012034693.db2.gz NICHNYJNXDPYNL-BDAKNGLRSA-N -1 0 304.314 -0.731 20 0 DBADRM COC[C@@H](NC(=O)Cn1ncc2cc(C)cnc21)c1nnn[n-]1 ZINC001595897039 1017108227 /nfs/dbraw/zinc/10/82/27/1017108227.db2.gz XBNCHAADMVGBLN-SNVBAGLBSA-N -1 0 316.325 -0.243 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001595922502 1017108515 /nfs/dbraw/zinc/10/85/15/1017108515.db2.gz NGBVHKWXVOIYJQ-UWVGGRQHSA-N -1 0 303.334 -0.532 20 0 DBADRM Cc1ncc(CN2CC[C@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001483697335 1012061949 /nfs/dbraw/zinc/06/19/49/1012061949.db2.gz QSDJGPGZZCYLCF-VIFPVBQESA-N -1 0 322.325 -0.624 20 0 DBADRM CCc1ncncc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001483789876 1012143916 /nfs/dbraw/zinc/14/39/16/1012143916.db2.gz FIEDVSUDEBCCPB-UHFFFAOYSA-N -1 0 317.353 -0.085 20 0 DBADRM O=C(CCc1c[nH]nn1)N1CC(CNC(=O)C(F)(F)F)C1 ZINC001455097769 1012218049 /nfs/dbraw/zinc/21/80/49/1012218049.db2.gz KWEHCKGQMUJICB-UHFFFAOYSA-N -1 0 305.260 -0.126 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)nc1Cl ZINC001455128601 1012225404 /nfs/dbraw/zinc/22/54/04/1012225404.db2.gz BQHOWUGYJVKSSO-ZCFIWIBFSA-N -1 0 321.728 -0.023 20 0 DBADRM O=C(CNC(=O)c1ccccc1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001455135233 1012229968 /nfs/dbraw/zinc/22/99/68/1012229968.db2.gz UOHRYZJZWORYJR-NSHDSACASA-N -1 0 300.322 -0.054 20 0 DBADRM CN(CCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001455190639 1012266934 /nfs/dbraw/zinc/26/69/34/1012266934.db2.gz FJXCRCGYQOCXIB-JZYVYDRUSA-N -1 0 323.353 -0.690 20 0 DBADRM CNC(=O)NCCC(=O)NCCN(C)C(=O)c1ncccc1O ZINC001455230205 1012289393 /nfs/dbraw/zinc/28/93/93/1012289393.db2.gz MMVVMDJODYFGOD-UHFFFAOYSA-N -1 0 323.353 -0.706 20 0 DBADRM C[C@@]1(CNC(=O)c2cn[nH]n2)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484164332 1012327422 /nfs/dbraw/zinc/32/74/22/1012327422.db2.gz VAFUGZKGIXAXPC-ZDUSSCGKSA-N -1 0 320.357 -0.340 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001455325270 1012339649 /nfs/dbraw/zinc/33/96/49/1012339649.db2.gz WXYKKGKWBRRYNJ-LLVKDONJSA-N -1 0 323.357 -0.952 20 0 DBADRM CC(C)CCC(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484201794 1012363111 /nfs/dbraw/zinc/36/31/11/1012363111.db2.gz KSFSYAFDNAGAIO-CQSZACIVSA-N -1 0 311.386 -0.001 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@@H]1CC12CC2 ZINC001455369433 1012363229 /nfs/dbraw/zinc/36/32/29/1012363229.db2.gz KKZFTZANYOANQT-ZETCQYMHSA-N -1 0 307.310 -0.729 20 0 DBADRM CN(CCNC(=O)[C@H]1CC12CC2)C(=O)c1cnc([O-])n(C)c1=O ZINC001455485647 1012414844 /nfs/dbraw/zinc/41/48/44/1012414844.db2.gz KRUUMJJQJWHKPZ-SNVBAGLBSA-N -1 0 320.349 -0.526 20 0 DBADRM C[C@@H](NC(=O)Cn1cnnn1)C(=O)[N-]Oc1ccccc1F ZINC001455483168 1012416217 /nfs/dbraw/zinc/41/62/17/1012416217.db2.gz UANKRNYYRJRXAJ-MRVPVSSYSA-N -1 0 308.273 -0.573 20 0 DBADRM O=C(C=Cc1ccco1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484256149 1012468254 /nfs/dbraw/zinc/46/82/54/1012468254.db2.gz ZXNZZBSGRKOPPV-ARJAWSKDSA-N -1 0 319.321 -0.520 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C[C@@H]3CCCOC3)C2)c1[O-] ZINC001484266916 1012491046 /nfs/dbraw/zinc/49/10/46/1012491046.db2.gz BBNJYDCBJAHSRK-NSHDSACASA-N -1 0 324.381 -0.373 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001455742928 1012500374 /nfs/dbraw/zinc/50/03/74/1012500374.db2.gz KYNRTMDSAXNIDV-AXFHLTTASA-N -1 0 306.370 -0.105 20 0 DBADRM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484303939 1012556514 /nfs/dbraw/zinc/55/65/14/1012556514.db2.gz RTVSWGZUSWSAIV-QMTHXVAHSA-N -1 0 323.397 -0.145 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001456313595 1012651615 /nfs/dbraw/zinc/65/16/15/1012651615.db2.gz YUGYAAAAYUJBFP-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1nc(CNCCN(CCO)C(=O)c2n[nH]c(C)c2[O-])co1 ZINC001484480561 1012698222 /nfs/dbraw/zinc/69/82/22/1012698222.db2.gz KWMYJWXNXOSJLA-UHFFFAOYSA-N -1 0 323.353 -0.056 20 0 DBADRM NC(=O)C12CCC(CC1)N2C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001456559892 1012757453 /nfs/dbraw/zinc/75/74/53/1012757453.db2.gz BLELZWZBVXBWOX-UHFFFAOYSA-N -1 0 309.326 -0.522 20 0 DBADRM CC1(C)C[C@@H](NC(=O)CCCc2nnn[n-]2)CCS1(=O)=O ZINC001456567915 1012758518 /nfs/dbraw/zinc/75/85/18/1012758518.db2.gz VDYMHZAFMXNGFJ-VIFPVBQESA-N -1 0 315.399 -0.006 20 0 DBADRM CO[N-]C(=O)CNC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC001456597438 1012771263 /nfs/dbraw/zinc/77/12/63/1012771263.db2.gz PSLOOISIJNRPFY-SECBINFHSA-N -1 0 319.321 -0.881 20 0 DBADRM COCCn1nc(C(=O)N[C@H](C)c2nn(C)cc2[O-])ccc1=O ZINC001456797951 1012816792 /nfs/dbraw/zinc/81/67/92/1012816792.db2.gz SVKPUNRAKLHFNH-SECBINFHSA-N -1 0 321.337 -0.180 20 0 DBADRM COC(=O)c1cnn(CC(=O)N[C@@H](C)c2nn(C)cc2[O-])c1 ZINC001456791490 1012817472 /nfs/dbraw/zinc/81/74/72/1012817472.db2.gz UIFGIZRVLKXNEM-QMMMGPOBSA-N -1 0 307.310 -0.014 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CC2(C1)CC(=O)Nc1nccn12 ZINC001456791301 1012817813 /nfs/dbraw/zinc/81/78/13/1012817813.db2.gz ZZEVFHRYIUYINF-UHFFFAOYSA-N -1 0 316.325 -0.701 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001484735873 1012844245 /nfs/dbraw/zinc/84/42/45/1012844245.db2.gz DUVQRFVZXXGWHR-SECBINFHSA-N -1 0 310.358 -0.931 20 0 DBADRM Cn1cnc(CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)c1 ZINC001457059232 1012846964 /nfs/dbraw/zinc/84/69/64/1012846964.db2.gz RGCHYHJVBHQZOW-UHFFFAOYSA-N -1 0 314.305 -0.070 20 0 DBADRM Cc1ccnn1CC(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001484761593 1012851102 /nfs/dbraw/zinc/85/11/02/1012851102.db2.gz XQEDPIWSGCCCMJ-UHFFFAOYSA-N -1 0 321.385 -0.004 20 0 DBADRM Cn1nccc1CN1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001457228914 1012855479 /nfs/dbraw/zinc/85/54/79/1012855479.db2.gz SJJMHFRUTLHMJA-UHFFFAOYSA-N -1 0 304.358 -0.790 20 0 DBADRM CCC(=O)NCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC001484969218 1012916408 /nfs/dbraw/zinc/91/64/08/1012916408.db2.gz VKBHPNSUCLQBKO-UWVGGRQHSA-N -1 0 324.385 -0.494 20 0 DBADRM CCN(CCC(=O)NC)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001596300273 1017126339 /nfs/dbraw/zinc/12/63/39/1017126339.db2.gz SIMYXVREMLKHKO-UHFFFAOYSA-N -1 0 321.399 -0.514 20 0 DBADRM CCCOc1ccnc(CC(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)n1 ZINC001595973823 1017110899 /nfs/dbraw/zinc/11/08/99/1017110899.db2.gz CJVPYPMUJXPDSG-DEZZCRIOSA-N -1 0 309.322 -0.098 20 0 DBADRM CCCC1N=NC(=S)N1CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001596074923 1017112613 /nfs/dbraw/zinc/11/26/13/1017112613.db2.gz UXJCBZVGZOPRDP-MUWHJKNJSA-N -1 0 302.356 -0.531 20 0 DBADRM CCCc1nnc(SCCc2cn(CC(=O)[O-])nn2)n1N ZINC001596097445 1017112866 /nfs/dbraw/zinc/11/28/66/1017112866.db2.gz XNLNOILSWIFKCJ-UHFFFAOYSA-N -1 0 311.371 -0.045 20 0 DBADRM CCC[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)OC)C(=O)[O-] ZINC001596002092 1017113169 /nfs/dbraw/zinc/11/31/69/1017113169.db2.gz SFXBXBKVUYSDTO-SSDOTTSWSA-N -1 0 305.312 -0.272 20 0 DBADRM CCCn1cc(C(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])nn1 ZINC001596111757 1017113604 /nfs/dbraw/zinc/11/36/04/1017113604.db2.gz DQTCLCBQIGXPST-DTWKUNHWSA-N -1 0 309.326 -0.745 20 0 DBADRM CCCn1cc(C(=O)OCCc2cn(CC(=O)[O-])nn2)nn1 ZINC001596113496 1017113864 /nfs/dbraw/zinc/11/38/64/1017113864.db2.gz LSZQDOYGFKASAY-UHFFFAOYSA-N -1 0 308.298 -0.236 20 0 DBADRM CCN(C)C(=O)Cn1nnnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001596182984 1017116253 /nfs/dbraw/zinc/11/62/53/1017116253.db2.gz XXJMFZQILWCXPA-WDEREUQCSA-N -1 0 322.369 -0.302 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001596181627 1017116278 /nfs/dbraw/zinc/11/62/78/1017116278.db2.gz UNQVOXMGPCEKNW-SSDOTTSWSA-N -1 0 318.355 -0.439 20 0 DBADRM CCN(C)C(=O)CCN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001596183843 1017118271 /nfs/dbraw/zinc/11/82/71/1017118271.db2.gz QXNIHGLJLKYDNB-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM CCN(CC(=O)[O-])CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC001596222436 1017120381 /nfs/dbraw/zinc/12/03/81/1017120381.db2.gz PCOLCAUDHYEWTJ-UHFFFAOYSA-N -1 0 323.349 -0.030 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC001596215744 1017120758 /nfs/dbraw/zinc/12/07/58/1017120758.db2.gz DOSTZJMARRZJMX-NSHDSACASA-N -1 0 312.297 -0.151 20 0 DBADRM CCN(CC)C(=O)Cn1nnnc1N1CCC(C(=O)[O-])CC1 ZINC001596247544 1017124089 /nfs/dbraw/zinc/12/40/89/1017124089.db2.gz ANKYUQHSJUUMEK-UHFFFAOYSA-N -1 0 310.358 -0.158 20 0 DBADRM CCN(C[C@H](C)OC)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001596236486 1017124108 /nfs/dbraw/zinc/12/41/08/1017124108.db2.gz XTRDESAKEZWPTM-QMMMGPOBSA-N -1 0 312.326 -0.060 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)Cn1cncn1 ZINC001596327013 1017125771 /nfs/dbraw/zinc/12/57/71/1017125771.db2.gz PSDKIPHJOHTTIA-WDEREUQCSA-N -1 0 323.353 -0.646 20 0 DBADRM CCN(CCC(=O)NC)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001596299842 1017125786 /nfs/dbraw/zinc/12/57/86/1017125786.db2.gz FMHPNVWCLWZVAY-UHFFFAOYSA-N -1 0 303.340 -0.140 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1ncn(C)n1 ZINC001596327180 1017125800 /nfs/dbraw/zinc/12/58/00/1017125800.db2.gz SJOYMDAUARYJGH-VHSXEESVSA-N -1 0 323.353 -0.496 20 0 DBADRM CCN(CCC(=O)NC)S(=O)(=O)c1scnc1C(=O)[O-] ZINC001596299939 1017126789 /nfs/dbraw/zinc/12/67/89/1017126789.db2.gz JLKDFUAQMNEFCH-UHFFFAOYSA-N -1 0 321.380 -0.012 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)Cn1cncn1 ZINC001596327012 1017127019 /nfs/dbraw/zinc/12/70/19/1017127019.db2.gz PSDKIPHJOHTTIA-QWRGUYRKSA-N -1 0 323.353 -0.646 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cc(C)nc(CO)n1 ZINC001596333365 1017128124 /nfs/dbraw/zinc/12/81/24/1017128124.db2.gz QRRLZHBXYJGALY-WDEREUQCSA-N -1 0 322.365 -0.059 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1cnnn1C ZINC001596331731 1017128414 /nfs/dbraw/zinc/12/84/14/1017128414.db2.gz DCDNHULMQGKQDM-RKDXNWHRSA-N -1 0 309.326 -0.886 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)Cc1cncn1C ZINC001596332947 1017128638 /nfs/dbraw/zinc/12/86/38/1017128638.db2.gz MWTMRHZKFYUNOC-RYUDHWBXSA-N -1 0 322.365 -0.352 20 0 DBADRM CCN(CCNC(=O)[C@H]1CCNC1=O)c1ncc(C(=O)[O-])cn1 ZINC001596333263 1017129148 /nfs/dbraw/zinc/12/91/48/1017129148.db2.gz PGLCSUZYYBSJDS-JTQLQIEISA-N -1 0 321.337 -0.747 20 0 DBADRM CCN(CCNC(=O)CCc1cn[nH]n1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596333977 1017131499 /nfs/dbraw/zinc/13/14/99/1017131499.db2.gz YBKXZIMPUHJLAO-QWRGUYRKSA-N -1 0 323.353 -0.577 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1nnnn1C1CC1 ZINC001596333629 1017132053 /nfs/dbraw/zinc/13/20/53/1017132053.db2.gz UGNHJLQCYHEQIC-MNOVXSKESA-N -1 0 322.369 -0.333 20 0 DBADRM CCN(OC)C(=O)CN1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001596380686 1017133176 /nfs/dbraw/zinc/13/31/76/1017133176.db2.gz UZPIOPSOGMKAPU-RKDXNWHRSA-N -1 0 313.310 -0.476 20 0 DBADRM CCN1C(=O)CN(CN2CCSC[C@@H](C(=O)[O-])C2)C1=O ZINC001596389216 1017133796 /nfs/dbraw/zinc/13/37/96/1017133796.db2.gz BOQODWHVABYIGC-VIFPVBQESA-N -1 0 301.368 -0.022 20 0 DBADRM CCN(c1ncc(C(=O)[O-])cn1)[C@H](C)CNC(=O)CC(N)=O ZINC001596388581 1017134561 /nfs/dbraw/zinc/13/45/61/1017134561.db2.gz ZXZWBPBUFKSBFB-MRVPVSSYSA-N -1 0 309.326 -0.619 20 0 DBADRM CCN(OC)C(=O)CN1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001596380684 1017135203 /nfs/dbraw/zinc/13/52/03/1017135203.db2.gz UZPIOPSOGMKAPU-DTWKUNHWSA-N -1 0 313.310 -0.476 20 0 DBADRM CCN1C(=O)[C@@H]2CN(c3ccnc(C(=O)[O-])n3)CCN2C1=O ZINC001596389252 1017135215 /nfs/dbraw/zinc/13/52/15/1017135215.db2.gz CQSNZLAFMNHUFW-QMMMGPOBSA-N -1 0 305.294 -0.353 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@@](C)(CCF)C(=O)[O-])CC1=O ZINC001596401505 1017136137 /nfs/dbraw/zinc/13/61/37/1017136137.db2.gz DTOOPSSUKCPLLZ-KCJUWKMLSA-N -1 0 310.347 -0.271 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@@](C)(CCF)C(=O)[O-])CC1=O ZINC001596401506 1017136762 /nfs/dbraw/zinc/13/67/62/1017136762.db2.gz DTOOPSSUKCPLLZ-KWQFWETISA-N -1 0 310.347 -0.271 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1=O ZINC001596401875 1017137029 /nfs/dbraw/zinc/13/70/29/1017137029.db2.gz HBVQHWMOOVVWLH-IVZWLZJFSA-N -1 0 304.368 -0.220 20 0 DBADRM CCN1C[C@H](NC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CC1=O ZINC001596397481 1017137235 /nfs/dbraw/zinc/13/72/35/1017137235.db2.gz ITYQJAYMIQPQKQ-OTYXRUKQSA-N -1 0 324.337 -0.378 20 0 DBADRM CCN1C[C@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1=O ZINC001596398551 1017137258 /nfs/dbraw/zinc/13/72/58/1017137258.db2.gz ZASAGKZFYJECHR-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN1CC[C@H](N2C(=O)[C@@H]3C[C@H](C(=O)[O-])CCN3C2=O)C1=O ZINC001596409227 1017140075 /nfs/dbraw/zinc/14/00/75/1017140075.db2.gz UXCMYYGUECQTLZ-UTLUCORTSA-N -1 0 309.322 -0.265 20 0 DBADRM NC1=CCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)N1 ZINC001596418136 1017142174 /nfs/dbraw/zinc/14/21/74/1017142174.db2.gz SYZYOFCFBSHTSC-UHFFFAOYSA-N -1 0 303.347 -0.168 20 0 DBADRM CCN1CCC[C@H](NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1=O ZINC001596418661 1017142432 /nfs/dbraw/zinc/14/24/32/1017142432.db2.gz SEUCAYLNDFTBQK-DCAQKATOSA-N -1 0 313.354 -0.526 20 0 DBADRM CCN1CCC[C@@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1=O ZINC001596418517 1017143804 /nfs/dbraw/zinc/14/38/04/1017143804.db2.gz OLEGAAIOZWKKGK-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CCSC[C@H](C(=O)[O-])C2)C1 ZINC001596442689 1017145109 /nfs/dbraw/zinc/14/51/09/1017145109.db2.gz OPPRENZZYXYYBB-MNOVXSKESA-N -1 0 302.396 -0.017 20 0 DBADRM CCN1CCO[C@H](C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001596442713 1017146473 /nfs/dbraw/zinc/14/64/73/1017146473.db2.gz PBZYFKKGLIZYIU-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM CCNC(=O)CN1CC=C(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001596461484 1017151336 /nfs/dbraw/zinc/15/13/36/1017151336.db2.gz BDOUCSDYNCMBBK-RYUDHWBXSA-N -1 0 309.366 -0.409 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC001596461997 1017152228 /nfs/dbraw/zinc/15/22/28/1017152228.db2.gz OFAYITLMBNCEJA-UHFFFAOYSA-N -1 0 323.305 -0.416 20 0 DBADRM CCNC(=O)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001596461846 1017152347 /nfs/dbraw/zinc/15/23/47/1017152347.db2.gz LUWXDUBXXUMKAL-UHFFFAOYSA-N -1 0 317.367 -0.130 20 0 DBADRM CCNC(=O)c1cccc(NC(=O)CN[C@](C)(CO)C(=O)[O-])c1 ZINC001596485491 1017152793 /nfs/dbraw/zinc/15/27/93/1017152793.db2.gz DMKQKPFZXFHQIA-OAHLLOKOSA-N -1 0 323.349 -0.200 20 0 DBADRM CCNC(=O)NC(=O)CN1[C@@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001596485099 1017152707 /nfs/dbraw/zinc/15/27/07/1017152707.db2.gz LIEAOEAFAQXRBI-CHWFTXMASA-N -1 0 313.354 -0.073 20 0 DBADRM CCNC(=O)NC(=O)CN1[C@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001596485100 1017153044 /nfs/dbraw/zinc/15/30/44/1017153044.db2.gz LIEAOEAFAQXRBI-RCWTZXSCSA-N -1 0 313.354 -0.073 20 0 DBADRM CCOC(=O)C1(O)CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC001596559446 1017156851 /nfs/dbraw/zinc/15/68/51/1017156851.db2.gz JAHRGRFZRFHAID-UHFFFAOYSA-N -1 0 323.367 -0.429 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])[C@H](O)c1ccncc1 ZINC001596533855 1017156922 /nfs/dbraw/zinc/15/69/22/1017156922.db2.gz BCFWRUZGGOMCKL-IRCOFANPSA-N -1 0 322.317 -0.116 20 0 DBADRM CCOC(=O)[C@H](CC(=O)NC1(C(=O)[O-])CC(CO)C1)C(C)=O ZINC001596527028 1017157504 /nfs/dbraw/zinc/15/75/04/1017157504.db2.gz TYWAWDHMGCNESI-OPASDULOSA-N -1 0 315.322 -0.513 20 0 DBADRM CCOC(=O)C1(CNS(=O)(=O)N(C)CCC(=O)[O-])CCC1 ZINC001596555732 1017157846 /nfs/dbraw/zinc/15/78/46/1017157846.db2.gz SDOOORWYZAXHNP-UHFFFAOYSA-N -1 0 322.383 -0.039 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C)/C=C/C(=O)[O-] ZINC001596575588 1017159888 /nfs/dbraw/zinc/15/98/88/1017159888.db2.gz FOHCMZZJECIFHF-CAFLDADYSA-N -1 0 320.367 -0.122 20 0 DBADRM CCOC(=O)[C@@H]1CN([C@H](CCC(=O)[O-])C(=O)OC)CCO1 ZINC001596585605 1017160410 /nfs/dbraw/zinc/16/04/10/1017160410.db2.gz QHKURKMUKJYLDR-ZJUUUORDSA-N -1 0 303.311 -0.343 20 0 DBADRM CCOC(=O)[C@@H]1CN(CCc2cn(CC(=O)[O-])nn2)CCO1 ZINC001596585034 1017160703 /nfs/dbraw/zinc/16/07/03/1017160703.db2.gz DORKDQMAPFQLHT-NSHDSACASA-N -1 0 312.326 -0.831 20 0 DBADRM CCOC(=O)[C@H]1CN([C@@H](CCC(=O)[O-])C(=O)OC)CCO1 ZINC001596585604 1017160906 /nfs/dbraw/zinc/16/09/06/1017160906.db2.gz QHKURKMUKJYLDR-VHSXEESVSA-N -1 0 303.311 -0.343 20 0 DBADRM CCOC(=O)CCNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001596609997 1017162240 /nfs/dbraw/zinc/16/22/40/1017162240.db2.gz CKHWXGKVKPGXHZ-UHFFFAOYSA-N -1 0 309.278 -0.212 20 0 DBADRM CCOC(=O)C[C@@H](SCC(=O)NCC(=O)[O-])C(=O)OCC ZINC001596594649 1017162274 /nfs/dbraw/zinc/16/22/74/1017162274.db2.gz SIICAYYQFCHEQD-MRVPVSSYSA-N -1 0 321.351 -0.195 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC001596594825 1017162306 /nfs/dbraw/zinc/16/23/06/1017162306.db2.gz NNPJXXLOMRIPRG-AEJSXWLSSA-N -1 0 303.311 -0.609 20 0 DBADRM CCOC(=O)C[C@H](O)CN1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001596595874 1017162388 /nfs/dbraw/zinc/16/23/88/1017162388.db2.gz WGKMDNHCZXIAMN-GARJFASQSA-N -1 0 317.338 -0.361 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001596595604 1017163660 /nfs/dbraw/zinc/16/36/60/1017163660.db2.gz VCFYBLPGJJEHPG-ZANVPECISA-N -1 0 314.294 -0.868 20 0 DBADRM CCOC(=O)Cn1cnc(NC(=O)NC[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001596637853 1017164695 /nfs/dbraw/zinc/16/46/95/1017164695.db2.gz NJIDDHPHNZTMGP-HTQZYQBOSA-N -1 0 311.298 -0.317 20 0 DBADRM CCOC(=O)N1CCC[C@@H](C(=O)N[C@@](C)(CO)C(=O)[O-])C1 ZINC001596651324 1017165105 /nfs/dbraw/zinc/16/51/05/1017165105.db2.gz UZYWKYAYIVRHCK-RNCFNFMXSA-N -1 0 302.327 -0.193 20 0 DBADRM CCOC(=O)COCCN1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001596629238 1017165136 /nfs/dbraw/zinc/16/51/36/1017165136.db2.gz PSQRKUBMNKXNNW-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@H](C)CC(=O)[O-])C1 ZINC001596643230 1017165207 /nfs/dbraw/zinc/16/52/07/1017165207.db2.gz QBNNRMBUKAYOCL-OPRDCNLKSA-N -1 0 302.327 -0.337 20 0 DBADRM CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCCC(=O)[O-] ZINC001596740275 1017168028 /nfs/dbraw/zinc/16/80/28/1017168028.db2.gz ANDYFPLCMBKBFD-UHFFFAOYSA-N -1 0 312.282 -0.874 20 0 DBADRM CCOC(=O)Nc1scnc1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001596671531 1017168790 /nfs/dbraw/zinc/16/87/90/1017168790.db2.gz DXNPHPAFUBJQNW-YFKPBYRVSA-N -1 0 303.296 -0.113 20 0 DBADRM CCOC(=O)c1noc(COC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)n1 ZINC001596755397 1017168948 /nfs/dbraw/zinc/16/89/48/1017168948.db2.gz XIAQVHUQJOZJLV-RQJHMYQMSA-N -1 0 314.250 -0.078 20 0 DBADRM CCOC(=O)c1nc[nH]c1CNC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001596692635 1017169009 /nfs/dbraw/zinc/16/90/09/1017169009.db2.gz YDIOTLPVIIZZGK-UHFFFAOYSA-N -1 0 321.293 -0.203 20 0 DBADRM CCOC(Cn1cc(C(=O)N[C@@H](CO)C(=O)[O-])cn1)OCC ZINC001596789559 1017170129 /nfs/dbraw/zinc/17/01/29/1017170129.db2.gz DGYIGLPWMFUPDA-JTQLQIEISA-N -1 0 315.326 -0.543 20 0 DBADRM CCOC(C)(C)CNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001596768819 1017170429 /nfs/dbraw/zinc/17/04/29/1017170429.db2.gz ULDNYOVJRWOOTG-UWVGGRQHSA-N -1 0 316.354 -0.788 20 0 DBADRM CCOC1CC(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1 ZINC001596805435 1017171329 /nfs/dbraw/zinc/17/13/29/1017171329.db2.gz YQRAZAZJZLXRNG-UDNWOFFPSA-N -1 0 305.352 -0.488 20 0 DBADRM CCOC1CC2(C[C@@H]2C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])C1 ZINC001596847580 1017173009 /nfs/dbraw/zinc/17/30/09/1017173009.db2.gz WWUZNFLVFWKAHG-WWALYXLFSA-N -1 0 310.350 -0.055 20 0 DBADRM CCOCC(=O)N1C[C@H](Nc2ccnc(C(=O)[O-])n2)[C@@H](C)C1 ZINC001596860423 1017173261 /nfs/dbraw/zinc/17/32/61/1017173261.db2.gz DHEDVLDPTIFUEU-UWVGGRQHSA-N -1 0 308.338 -0.108 20 0 DBADRM CCO[C@H]1COCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001596864410 1017173814 /nfs/dbraw/zinc/17/38/14/1017173814.db2.gz VIVIGOTXYSMNIH-APPZFPTMSA-N -1 0 319.339 -0.420 20 0 DBADRM CCO[C@@H]1C[C@](NC(=O)[C@H](C)NC(N)=O)(C(=O)[O-])C1(C)C ZINC001596829677 1017174207 /nfs/dbraw/zinc/17/42/07/1017174207.db2.gz YRNKALMUWITJAN-DAROEXNTSA-N -1 0 301.343 -0.182 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001596886794 1017175724 /nfs/dbraw/zinc/17/57/24/1017175724.db2.gz RDXXNAAHOPKIHY-AEJSXWLSSA-N -1 0 323.367 -0.311 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001596878594 1017176604 /nfs/dbraw/zinc/17/66/04/1017176604.db2.gz HULNCMDBKWGYPM-SNVBAGLBSA-N -1 0 323.305 -0.026 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001596887119 1017177913 /nfs/dbraw/zinc/17/79/13/1017177913.db2.gz XTKWNHUPDNCOLW-LMLFDSFASA-N -1 0 317.338 -0.099 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001596887138 1017177921 /nfs/dbraw/zinc/17/79/21/1017177921.db2.gz YBCWRWZHMDEIHR-SNVBAGLBSA-N -1 0 313.310 -0.382 20 0 DBADRM CCOC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001596893190 1017178132 /nfs/dbraw/zinc/17/81/32/1017178132.db2.gz YORAKNXEQZPQDB-ZJUUUORDSA-N -1 0 304.318 -0.200 20 0 DBADRM CCOCCCNC(=O)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001596916303 1017178447 /nfs/dbraw/zinc/17/84/47/1017178447.db2.gz AHBJZBXKHFQZLR-SNVBAGLBSA-N -1 0 318.395 -0.195 20 0 DBADRM CCOCC[C@H](O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001596899114 1017179231 /nfs/dbraw/zinc/17/92/31/1017179231.db2.gz ITCQWOQCGTWRNA-MNOVXSKESA-N -1 0 309.384 -0.652 20 0 DBADRM CCOCCN1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])CCO2 ZINC001596928818 1017179300 /nfs/dbraw/zinc/17/93/00/1017179300.db2.gz DNNBUPQIYOVJCA-NEPJUHHUSA-N -1 0 312.366 -0.343 20 0 DBADRM CCOCCOCC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001596935143 1017181010 /nfs/dbraw/zinc/18/10/10/1017181010.db2.gz KNMRJCNFAKBZIH-QWRGUYRKSA-N -1 0 317.338 -0.096 20 0 DBADRM CCOCCO[C@@H](C)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001596932413 1017181053 /nfs/dbraw/zinc/18/10/53/1017181053.db2.gz XDGZSQNFRVUMKU-VIFPVBQESA-N -1 0 300.315 -0.466 20 0 DBADRM CCOCCn1nnnc1N1C[C@@H]2COCC[C@]2(C(=O)[O-])C1 ZINC001596945010 1017181461 /nfs/dbraw/zinc/18/14/61/1017181461.db2.gz BOZVLEOLHJTRRA-MFKMUULPSA-N -1 0 311.342 -0.363 20 0 DBADRM CCOCCS(=O)(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001596939748 1017181845 /nfs/dbraw/zinc/18/18/45/1017181845.db2.gz SOHOTWFJYXJIGO-SECBINFHSA-N -1 0 318.355 -0.411 20 0 DBADRM CCOCCOCCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001596938484 1017181859 /nfs/dbraw/zinc/18/18/59/1017181859.db2.gz WVHGTHWCMDRLDJ-LLVKDONJSA-N -1 0 316.354 -0.521 20 0 DBADRM CCOc1cccc(CC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])n1 ZINC001597150519 1017186103 /nfs/dbraw/zinc/18/61/03/1017186103.db2.gz SYCXNYPIWGNCQJ-LLVKDONJSA-N -1 0 321.333 -0.223 20 0 DBADRM CCOc1cccc(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001597161970 1017186627 /nfs/dbraw/zinc/18/66/27/1017186627.db2.gz QUSLOZAYJPQDKF-UHFFFAOYSA-N -1 0 301.320 -0.095 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001597215810 1017188961 /nfs/dbraw/zinc/18/89/61/1017188961.db2.gz HIKURRDYTYLLIT-NSHDSACASA-N -1 0 308.356 -0.982 20 0 DBADRM CC[S@](=O)CCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001597248981 1017192512 /nfs/dbraw/zinc/19/25/12/1017192512.db2.gz DSTLBXIWQIFERP-SXKUGOIWSA-N -1 0 318.395 -0.112 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001597251778 1017195207 /nfs/dbraw/zinc/19/52/07/1017195207.db2.gz WIENBVLNNHJLCT-CQLKUDPESA-N -1 0 302.349 -0.153 20 0 DBADRM CC[C@@H]1C(=O)NCCCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001597293851 1017195947 /nfs/dbraw/zinc/19/59/47/1017195947.db2.gz PZJMRWKDBSFUEV-SECBINFHSA-N -1 0 304.368 -0.076 20 0 DBADRM CCSCC[C@@H](C)NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001597259367 1017196467 /nfs/dbraw/zinc/19/64/67/1017196467.db2.gz SGKSYLUQKUSSOI-MRVPVSSYSA-N -1 0 304.368 -0.708 20 0 DBADRM CC[C@H](NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1)C(=O)[O-] ZINC001597338956 1017196516 /nfs/dbraw/zinc/19/65/16/1017196516.db2.gz TVTPSJKSHOMXPW-UHTWSYAYSA-N -1 0 321.333 -0.041 20 0 DBADRM CC[C@H](O)CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001597350604 1017196532 /nfs/dbraw/zinc/19/65/32/1017196532.db2.gz KQQDJBRJGBDEEP-JTQLQIEISA-N -1 0 310.306 -0.024 20 0 DBADRM CC[S@@](=O)CCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001597250272 1017196758 /nfs/dbraw/zinc/19/67/58/1017196758.db2.gz QAQCSMUVQSTVMS-FKIZINRSSA-N -1 0 304.368 -0.806 20 0 DBADRM CC[S@](=O)CCNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001597250669 1017196822 /nfs/dbraw/zinc/19/68/22/1017196822.db2.gz UTZDNZGTDOGVAK-QKVFXAPYSA-N -1 0 317.367 -0.230 20 0 DBADRM CCc1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc(=O)[nH]1 ZINC001597427849 1017198323 /nfs/dbraw/zinc/19/83/23/1017198323.db2.gz PCNPHQZJZGVIIL-JTQLQIEISA-N -1 0 307.306 -0.235 20 0 DBADRM CCc1cc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n(C)n1 ZINC001597426719 1017198537 /nfs/dbraw/zinc/19/85/37/1017198537.db2.gz KTDRTNUPIGBGRT-MNOVXSKESA-N -1 0 322.365 -0.109 20 0 DBADRM CCc1cc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)nn1C ZINC001597426474 1017198631 /nfs/dbraw/zinc/19/86/31/1017198631.db2.gz IWWMXGDWCVNLCI-UWVGGRQHSA-N -1 0 309.322 -0.072 20 0 DBADRM CCc1cc(CC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])n(C)n1 ZINC001597471456 1017199300 /nfs/dbraw/zinc/19/93/00/1017199300.db2.gz MOLOEWPJVDHZPC-GFCCVEGCSA-N -1 0 322.365 -0.283 20 0 DBADRM CCc1cccc(CNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001597586273 1017201135 /nfs/dbraw/zinc/20/11/35/1017201135.db2.gz DEWSPXFDXJVTKM-UHFFFAOYSA-N -1 0 306.318 -0.477 20 0 DBADRM CCc1ccc(NC(=O)C(=O)N(CCO)CCO)c(C(=O)[O-])c1 ZINC001597535764 1017201293 /nfs/dbraw/zinc/20/12/93/1017201293.db2.gz UQGCBMXGHDJFFK-UHFFFAOYSA-N -1 0 324.333 -0.301 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)nn1C ZINC001597478224 1017201418 /nfs/dbraw/zinc/20/14/18/1017201418.db2.gz VPUGPSBMTLTETR-SCZZXKLOSA-N -1 0 324.337 -0.785 20 0 DBADRM CCc1c[nH]c(CC(=O)NCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001597627888 1017201683 /nfs/dbraw/zinc/20/16/83/1017201683.db2.gz XGJMKDCUSLPCJM-WDEREUQCSA-N -1 0 322.365 -0.190 20 0 DBADRM CCc1nc(CN2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)no1 ZINC001597666935 1017201876 /nfs/dbraw/zinc/20/18/76/1017201876.db2.gz FJTBGFNWCQDGPH-NXEZZACHSA-N -1 0 308.338 -0.099 20 0 DBADRM CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](CO)C(=O)[O-] ZINC001597562912 1017202403 /nfs/dbraw/zinc/20/24/03/1017202403.db2.gz ZDSRCWHVLOYYPN-LLVKDONJSA-N -1 0 315.347 -0.172 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)no1 ZINC001597477707 1017202517 /nfs/dbraw/zinc/20/25/17/1017202517.db2.gz LRJPWNOPIWDCFB-CYBMUJFWSA-N -1 0 311.294 -0.122 20 0 DBADRM CCc1nc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])sc1C ZINC001597672911 1017203765 /nfs/dbraw/zinc/20/37/65/1017203765.db2.gz BUCRHLRIIDHKQY-SSDOTTSWSA-N -1 0 315.351 -0.096 20 0 DBADRM CCc1nc(CN2CC(O)(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)no1 ZINC001597667897 1017204268 /nfs/dbraw/zinc/20/42/68/1017204268.db2.gz ZZGAFGXNBQVOFZ-IUCAKERBSA-N -1 0 324.337 -0.984 20 0 DBADRM CCc1nnc2ccc(N3C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C3)nn21 ZINC001597735431 1017205292 /nfs/dbraw/zinc/20/52/92/1017205292.db2.gz CVXNJNKRSIGGOL-IUCAKERBSA-N -1 0 319.321 -0.003 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1COC[C@@H]1O ZINC001597785530 1017205528 /nfs/dbraw/zinc/20/55/28/1017205528.db2.gz JQSXSOWXCLXDSG-RQJHMYQMSA-N -1 0 305.308 -0.422 20 0 DBADRM CCc1nocc1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597754417 1017205986 /nfs/dbraw/zinc/20/59/86/1017205986.db2.gz DSTKHROUQJHCRG-IUCAKERBSA-N -1 0 307.306 -0.102 20 0 DBADRM CCc1noc(CCCC(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])n1 ZINC001597748871 1017206662 /nfs/dbraw/zinc/20/66/62/1017206662.db2.gz QPMBAZVDXKKUMC-VIFPVBQESA-N -1 0 324.337 -0.292 20 0 DBADRM CCn1c(N2CC[C@H](C(=O)[O-])C2)nnc1[C@]1(C)CNC(=O)C1 ZINC001597859856 1017208081 /nfs/dbraw/zinc/20/80/81/1017208081.db2.gz ZGTJRLPUSPFCBN-XPTSAGLGSA-N -1 0 307.354 -0.014 20 0 DBADRM CCn1c(Cc2cnn(C)c2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001597856201 1017208128 /nfs/dbraw/zinc/20/81/28/1017208128.db2.gz LEZBDWSYHYWRRU-NSHDSACASA-N -1 0 320.353 -0.088 20 0 DBADRM CCn1c([C@@H]2CNC(=O)C2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001597851295 1017208407 /nfs/dbraw/zinc/20/84/07/1017208407.db2.gz VYNITCPXWSBOIX-ISVAXAHUSA-N -1 0 311.317 -0.096 20 0 DBADRM CCn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1[C@@]1(C)CNC(=O)C1 ZINC001597859857 1017209083 /nfs/dbraw/zinc/20/90/83/1017209083.db2.gz ZGTJRLPUSPFCBN-YMTOWFKASA-N -1 0 307.354 -0.014 20 0 DBADRM CCn1cc(Br)c(C(=O)N[C@H](CO)C(=O)[O-])n1 ZINC001597870198 1017209104 /nfs/dbraw/zinc/20/91/04/1017209104.db2.gz PJWLTJXONCVSGI-ZCFIWIBFSA-N -1 0 306.116 -0.159 20 0 DBADRM CCN1C(=S)N=NC1CCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001597862635 1017209311 /nfs/dbraw/zinc/20/93/11/1017209311.db2.gz YIDJSJBYBJMKSW-JGVFFNPUSA-N -1 0 314.367 -0.122 20 0 DBADRM CCn1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)ccc1=O ZINC001597895324 1017211912 /nfs/dbraw/zinc/21/19/12/1017211912.db2.gz HGLFGZDOLHNXDG-UHFFFAOYSA-N -1 0 307.306 -0.212 20 0 DBADRM CCn1cc(CC(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)cn1 ZINC001597881215 1017212604 /nfs/dbraw/zinc/21/26/04/1017212604.db2.gz VROJLGFECIPVPD-QWRGUYRKSA-N -1 0 309.322 -0.222 20 0 DBADRM CCn1cnc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001597917033 1017213845 /nfs/dbraw/zinc/21/38/45/1017213845.db2.gz SQVRIMVXKCBFKC-NXEZZACHSA-N -1 0 306.322 -0.436 20 0 DBADRM CCn1ccnc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001597911249 1017213911 /nfs/dbraw/zinc/21/39/11/1017213911.db2.gz PSCKJPSQZSONIT-QMMMGPOBSA-N -1 0 301.324 -0.773 20 0 DBADRM CCn1ccnc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001597911248 1017214553 /nfs/dbraw/zinc/21/45/53/1017214553.db2.gz PSCKJPSQZSONIT-MRVPVSSYSA-N -1 0 301.324 -0.773 20 0 DBADRM CCn1ccnc1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001597913675 1017214608 /nfs/dbraw/zinc/21/46/08/1017214608.db2.gz AHXLCOWWRMOGBQ-UHFFFAOYSA-N -1 0 315.351 -0.335 20 0 DBADRM CCn1cccc(NC(=O)NCCC(=O)NCCC(=O)[O-])c1=O ZINC001597911405 1017215010 /nfs/dbraw/zinc/21/50/10/1017215010.db2.gz JWLFUJVIJUBMQY-UHFFFAOYSA-N -1 0 324.337 -0.029 20 0 DBADRM CCn1cnc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001597916189 1017215079 /nfs/dbraw/zinc/21/50/79/1017215079.db2.gz GVSJZOJHJXSSQY-GHMZBOCLSA-N -1 0 320.349 -0.094 20 0 DBADRM CCn1cnc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001597917036 1017215121 /nfs/dbraw/zinc/21/51/21/1017215121.db2.gz SQVRIMVXKCBFKC-ZJUUUORDSA-N -1 0 306.322 -0.436 20 0 DBADRM CCn1nc(C(=O)N[C@@H](CO)C(=O)[O-])c(=O)c2ccccc21 ZINC001597928095 1017216104 /nfs/dbraw/zinc/21/61/04/1017216104.db2.gz XQHLVYATUGKRRQ-VIFPVBQESA-N -1 0 305.290 -0.408 20 0 DBADRM CCn1nc(C(=O)N[C@H](C(=O)[O-])C2CCOCC2)ccc1=O ZINC001597926945 1017216720 /nfs/dbraw/zinc/21/67/20/1017216720.db2.gz QMMFICAPJALIQF-LBPRGKRZSA-N -1 0 309.322 -0.127 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001597923129 1017216918 /nfs/dbraw/zinc/21/69/18/1017216918.db2.gz VWILPAHCXDBAPB-JTQLQIEISA-N -1 0 316.383 -0.460 20 0 DBADRM CCn1nc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])ccc1=O ZINC001597927018 1017216997 /nfs/dbraw/zinc/21/69/97/1017216997.db2.gz VYRWHUBDNXZIBP-SNVBAGLBSA-N -1 0 305.294 -0.657 20 0 DBADRM CCn1nc(C)c(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])c1C ZINC001597932597 1017217194 /nfs/dbraw/zinc/21/71/94/1017217194.db2.gz OEPMQRAIMSOXAX-SNVBAGLBSA-N -1 0 306.326 -0.005 20 0 DBADRM CCn1nc(C)c(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001597934075 1017217247 /nfs/dbraw/zinc/21/72/47/1017217247.db2.gz ZEEVFVMPQOWJBC-SNVBAGLBSA-N -1 0 302.356 -0.710 20 0 DBADRM CCn1cnc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001597917131 1017217389 /nfs/dbraw/zinc/21/73/89/1017217389.db2.gz WONZPFKFKJRKJM-OAHLLOKOSA-N -1 0 322.365 -0.096 20 0 DBADRM CCn1ncc(C(=O)N2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)[O-])n1 ZINC001597951021 1017218875 /nfs/dbraw/zinc/21/88/75/1017218875.db2.gz VRNZBKJGOFCMFK-WCBMZHEXSA-N -1 0 310.310 -0.224 20 0 DBADRM CCn1nccc1C[NH2+]C[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001597965302 1017219262 /nfs/dbraw/zinc/21/92/62/1017219262.db2.gz CSWONMWCQBEUAR-CMPLNLGQSA-N -1 0 301.368 -0.120 20 0 DBADRM CCn1ncc(CNC(=O)COCc2ocnc2C(=O)[O-])n1 ZINC001597957359 1017219421 /nfs/dbraw/zinc/21/94/21/1017219421.db2.gz SILCXUJCXGWDTI-UHFFFAOYSA-N -1 0 309.282 -0.183 20 0 DBADRM CCn1ncc(C(=O)N2CC(O)(C(=O)[O-])C2)c1Br ZINC001597950532 1017219492 /nfs/dbraw/zinc/21/94/92/1017219492.db2.gz NSHZSRXXRXBCSI-UHFFFAOYSA-N -1 0 318.127 -0.063 20 0 DBADRM CCn1nccc1Cn1nnnc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001597966653 1017219831 /nfs/dbraw/zinc/21/98/31/1017219831.db2.gz XMJFDRJXQDWRCL-URLYPYJESA-N -1 0 303.326 -0.295 20 0 DBADRM CCn1ncnc1CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001597969208 1017220144 /nfs/dbraw/zinc/22/01/44/1017220144.db2.gz DPCUXMZTKIDWAK-WDEREUQCSA-N -1 0 307.354 -0.337 20 0 DBADRM CCn1nncc1C(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001597973864 1017221325 /nfs/dbraw/zinc/22/13/25/1017221325.db2.gz IUOFWAXKGCNEMJ-MRVPVSSYSA-N -1 0 319.325 -0.562 20 0 DBADRM CCn1nnc(C)c1CN1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597972798 1017221684 /nfs/dbraw/zinc/22/16/84/1017221684.db2.gz MCQQXVPEGLGDBC-NEPJUHHUSA-N -1 0 321.381 -0.125 20 0 DBADRM CCn1nncc1CN1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001597976009 1017221752 /nfs/dbraw/zinc/22/17/52/1017221752.db2.gz PVWWVWRLAADHLR-PSASIEDQSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1ncnc1CNC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001597969691 1017222311 /nfs/dbraw/zinc/22/23/11/1017222311.db2.gz UBAYUIBTJPABBU-UWVGGRQHSA-N -1 0 307.354 -0.243 20 0 DBADRM CCn1nnc(C)c1CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597973133 1017222500 /nfs/dbraw/zinc/22/25/00/1017222500.db2.gz SFDUFPZANPMADH-DTORHVGOSA-N -1 0 302.356 -0.111 20 0 DBADRM CCn1nncc1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001597974333 1017222755 /nfs/dbraw/zinc/22/27/55/1017222755.db2.gz SHYJUUBXTKLVJY-UHFFFAOYSA-N -1 0 311.342 -0.843 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@@H](n2cncn2)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597983535 1017223626 /nfs/dbraw/zinc/22/36/26/1017223626.db2.gz VZQIGWUXOUMQIR-MXWKQRLJSA-N -1 0 321.337 -0.627 20 0 DBADRM CN(C(=O)C(=O)NCCO[C@@H]1CCOC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597984598 1017225143 /nfs/dbraw/zinc/22/51/43/1017225143.db2.gz SDQQRVMLPXPLBC-OUAUKWLOSA-N -1 0 314.338 -0.770 20 0 DBADRM CN(C(=O)C(=O)NC[C@@H]1COC(C)(C)O1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597984109 1017225266 /nfs/dbraw/zinc/22/52/66/1017225266.db2.gz KIPKURRNAJUFNP-KXUCPTDWSA-N -1 0 314.338 -0.424 20 0 DBADRM CN(C(=O)Nc1cc(C(=O)[O-])nn1C)[C@@H]1CCS(=O)(=O)C1 ZINC001598056846 1017230943 /nfs/dbraw/zinc/23/09/43/1017230943.db2.gz WIEKEVCIFRNREG-SSDOTTSWSA-N -1 0 316.339 -0.231 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])nn1 ZINC001598134306 1017237978 /nfs/dbraw/zinc/23/79/78/1017237978.db2.gz NZGYLKVDSZTWTF-OTYXRUKQSA-N -1 0 321.337 -0.554 20 0 DBADRM CN1CC[C@H](NC(=O)N2CCSC[C@@H](C(=O)[O-])C2)C1=O ZINC001598586764 1017324817 /nfs/dbraw/zinc/32/48/17/1017324817.db2.gz QWJYNFLSBSIEBE-IUCAKERBSA-N -1 0 301.368 -0.324 20 0 DBADRM CN(CCOCCNC(=O)C(F)F)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598498078 1017292327 /nfs/dbraw/zinc/29/23/27/1017292327.db2.gz QCTGRTLSLZUSAV-HTQZYQBOSA-N -1 0 308.281 -0.437 20 0 DBADRM CN1C[C@@H](C(=O)N2CCc3ccc(C(=O)[O-])nc3C2)NC1=O ZINC001598561022 1017302494 /nfs/dbraw/zinc/30/24/94/1017302494.db2.gz XBPJVRLWZDONPO-NSHDSACASA-N -1 0 304.306 -0.312 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3[nH]cnc3c2)CC1=O ZINC001598561729 1017302617 /nfs/dbraw/zinc/30/26/17/1017302617.db2.gz CTLHPBYUDPGJFQ-NSHDSACASA-N -1 0 302.290 -0.070 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cc(C(N)=O)cs2)CC1=O ZINC001598563083 1017305132 /nfs/dbraw/zinc/30/51/32/1017305132.db2.gz PRTKAMHEJYOWGL-ZETCQYMHSA-N -1 0 311.319 -0.786 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cc3c(cn2)OCCC3)CC1=O ZINC001598562264 1017305497 /nfs/dbraw/zinc/30/54/97/1017305497.db2.gz ISKWROVMRFWYIX-LLVKDONJSA-N -1 0 319.317 -0.226 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccnc3ccncc32)CC1=O ZINC001598562679 1017306418 /nfs/dbraw/zinc/30/64/18/1017306418.db2.gz LCUUULQMFDSRSN-GFCCVEGCSA-N -1 0 314.301 -0.003 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1=O ZINC001598564437 1017307118 /nfs/dbraw/zinc/30/71/18/1017307118.db2.gz YKOPAHRMKODJAP-LDYMZIIASA-N -1 0 306.322 -0.417 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(CCNC(=O)OC(C)(C)C)CC1=O ZINC001598563557 1017307159 /nfs/dbraw/zinc/30/71/59/1017307159.db2.gz MFQCLQKMKOESLQ-SECBINFHSA-N -1 0 301.343 -0.262 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)COCc2ccccc2)CC1=O ZINC001598565235 1017307813 /nfs/dbraw/zinc/30/78/13/1017307813.db2.gz RDLVGMGMXGCAOL-GFCCVEGCSA-N -1 0 306.318 -0.043 20 0 DBADRM Cn1ncc2cc(C(=O)N3CC(=O)N(C)C[C@@H]3C(=O)[O-])cnc21 ZINC001598564670 1017307953 /nfs/dbraw/zinc/30/79/53/1017307953.db2.gz WPTUCSFBHKRFQC-SNVBAGLBSA-N -1 0 317.305 -0.664 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)COc2cccc(C=O)c2)CC1=O ZINC001598565422 1017307970 /nfs/dbraw/zinc/30/79/70/1017307970.db2.gz UFVFPTUPKOHJEW-GFCCVEGCSA-N -1 0 320.301 -0.368 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@@H]2Cc3cc(F)ccc3O2)CC1=O ZINC001598564278 1017308015 /nfs/dbraw/zinc/30/80/15/1017308015.db2.gz WYRLXRJWFUNETN-PWSUYJOCSA-N -1 0 322.292 -0.117 20 0 DBADRM Cn1cc(-c2cc(CN3CC(=O)N(C)C[C@H]3C(=O)[O-])on2)cn1 ZINC001598563526 1017308030 /nfs/dbraw/zinc/30/80/30/1017308030.db2.gz KVSCHCUWTCCPFQ-LBPRGKRZSA-N -1 0 319.321 -0.198 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)Cc2csc3nccn23)CC1=O ZINC001598565247 1017308226 /nfs/dbraw/zinc/30/82/26/1017308226.db2.gz RIFXUMSFWUMRHL-SECBINFHSA-N -1 0 322.346 -0.308 20 0 DBADRM CN1C[C@@H](n2nnnc2N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CCC1=O ZINC001598571721 1017312249 /nfs/dbraw/zinc/31/22/49/1017312249.db2.gz AVIBMPKTNPITSN-WYOJIJJFSA-N -1 0 306.326 -0.767 20 0 DBADRM CN1CCCC[C@@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001598598673 1017327292 /nfs/dbraw/zinc/32/72/92/1017327292.db2.gz NQYICECIWGCJTK-SNVBAGLBSA-N -1 0 321.337 -0.382 20 0 DBADRM CN1CCC[C@H](OC(=O)Cn2cccc(C(=O)[O-])c2=O)C1=O ZINC001598595315 1017328847 /nfs/dbraw/zinc/32/88/47/1017328847.db2.gz USAOICLQMFZSBD-JTQLQIEISA-N -1 0 308.290 -0.290 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1 ZINC001598604738 1017332634 /nfs/dbraw/zinc/33/26/34/1017332634.db2.gz RBCPTTYFIFMMOK-PJXYFTJBSA-N -1 0 324.381 -0.878 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC001598605001 1017332899 /nfs/dbraw/zinc/33/28/99/1017332899.db2.gz UNALHGCSRZGNLT-UHFFFAOYSA-N -1 0 323.353 -0.988 20 0 DBADRM CN1CCN(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)CC1 ZINC001598607544 1017336686 /nfs/dbraw/zinc/33/66/86/1017336686.db2.gz PNCASDVSKULHMY-NWDGAFQWSA-N -1 0 324.381 -0.781 20 0 DBADRM CN1CCN(C(=O)c2cc3n(n2)CCCC3=O)C[C@H](C(=O)[O-])C1 ZINC001598611201 1017342901 /nfs/dbraw/zinc/34/29/01/1017342901.db2.gz PCFHQHILHWABNZ-SNVBAGLBSA-N -1 0 320.349 -0.052 20 0 DBADRM CN1CCN(CC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])CC1=O ZINC001598616879 1017349140 /nfs/dbraw/zinc/34/91/40/1017349140.db2.gz ZNYDATSIZDRADF-MISXGVKJSA-N -1 0 309.366 -0.528 20 0 DBADRM CN(C(=O)[C@H]1OCCN(C)C1=O)c1ccc(OCC(=O)[O-])cc1 ZINC001598624748 1017354908 /nfs/dbraw/zinc/35/49/08/1017354908.db2.gz HMBCZXHEJSCHLL-ZDUSSCGKSA-N -1 0 322.317 -0.030 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@](C)(CC(=O)[O-])c2cccnc2)C1=O ZINC001598624153 1017355224 /nfs/dbraw/zinc/35/52/24/1017355224.db2.gz DBZBTQJEJOMKBU-SWLSCSKDSA-N -1 0 321.333 -0.255 20 0 DBADRM CN1CCOC[C@@H]1CN1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001598623560 1017355335 /nfs/dbraw/zinc/35/53/35/1017355335.db2.gz JZDYYMNLXLGZDU-OUAUKWLOSA-N -1 0 311.338 -0.556 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@@H]2COCCN2C)cc1C(=O)[O-] ZINC001598625734 1017355605 /nfs/dbraw/zinc/35/56/05/1017355605.db2.gz RKKROAYLBZQIKC-SECBINFHSA-N -1 0 317.367 -0.668 20 0 DBADRM CN1CCO[C@H](C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC001598623864 1017355724 /nfs/dbraw/zinc/35/57/24/1017355724.db2.gz BEDNOWRGGFTYHC-VXGBXAGGSA-N -1 0 306.318 -0.172 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)C1 ZINC001598623415 1017355799 /nfs/dbraw/zinc/35/57/99/1017355799.db2.gz GKXOFSXMFUPSPZ-ONGXEEELSA-N -1 0 310.347 -0.855 20 0 DBADRM CN1CCOC[C@@H]1CN1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001598623231 1017356286 /nfs/dbraw/zinc/35/62/86/1017356286.db2.gz BIHRGJSLMDLTTD-GARJFASQSA-N -1 0 311.338 -0.556 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001598624110 1017356354 /nfs/dbraw/zinc/35/63/54/1017356354.db2.gz UMHKMWITFLZXBH-GHMZBOCLSA-N -1 0 317.411 -0.224 20 0 DBADRM CN1CCOC[C@@H]1CNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001598625256 1017356504 /nfs/dbraw/zinc/35/65/04/1017356504.db2.gz LQPNVHUOTPACCM-TUAOUCFPSA-N -1 0 320.411 -0.120 20 0 DBADRM CN(CCNC(=O)[C@@H]1CN(C)CCO1)c1ccnc(C(=O)[O-])n1 ZINC001598626361 1017357928 /nfs/dbraw/zinc/35/79/28/1017357928.db2.gz VBXVZTXDIVUUQR-JTQLQIEISA-N -1 0 323.353 -0.942 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598630095 1017358095 /nfs/dbraw/zinc/35/80/95/1017358095.db2.gz ICWYEDXLGXRJCP-UHFFFAOYSA-N -1 0 322.321 -0.393 20 0 DBADRM CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598634461 1017361198 /nfs/dbraw/zinc/36/11/98/1017361198.db2.gz LEXVJPBDYCCOIM-ZCFIWIBFSA-N -1 0 304.328 -0.890 20 0 DBADRM CNC(=O)C1(C(=O)NC[C@@H](C)Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001598631729 1017361214 /nfs/dbraw/zinc/36/12/14/1017361214.db2.gz IGXDHXKGXJFIRJ-MRVPVSSYSA-N -1 0 321.337 -0.961 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)NCc1ccoc1C(=O)[O-] ZINC001598634336 1017361359 /nfs/dbraw/zinc/36/13/59/1017361359.db2.gz YDRSXDNJBOVUQD-QMMMGPOBSA-N -1 0 305.294 -0.182 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001598634480 1017361565 /nfs/dbraw/zinc/36/15/65/1017361565.db2.gz LVRZJFRNJDIKNS-ZCFIWIBFSA-N -1 0 304.299 -0.063 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)N[C@H](C(=O)[O-])c1ccccn1 ZINC001598632811 1017361762 /nfs/dbraw/zinc/36/17/62/1017361762.db2.gz KEKWQLVQRJLXJX-KCJUWKMLSA-N -1 0 316.321 -0.452 20 0 DBADRM CNC(=O)[C@H]1CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC001598638429 1017363744 /nfs/dbraw/zinc/36/37/44/1017363744.db2.gz CPMOOTHSWDQIGN-QMMMGPOBSA-N -1 0 313.335 -0.464 20 0 DBADRM CNC(=O)C1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC001598639603 1017364241 /nfs/dbraw/zinc/36/42/41/1017364241.db2.gz ZLYBIUUGRKSHHN-UHFFFAOYSA-N -1 0 319.317 -0.164 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598639736 1017364325 /nfs/dbraw/zinc/36/43/25/1017364325.db2.gz VGOYGTAUEWQKNJ-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CCO1 ZINC001598637060 1017364336 /nfs/dbraw/zinc/36/43/36/1017364336.db2.gz GDRMYLSTQGFBSR-VWYCJHECSA-N -1 0 313.354 -0.214 20 0 DBADRM CNC(=O)C1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001598639005 1017364360 /nfs/dbraw/zinc/36/43/60/1017364360.db2.gz PMDPRRLPHJWARR-UHFFFAOYSA-N -1 0 304.368 -0.361 20 0 DBADRM CNC(=O)CCCN(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001598643111 1017366263 /nfs/dbraw/zinc/36/62/63/1017366263.db2.gz XSYDQTSVXHKVSF-UHFFFAOYSA-N -1 0 304.328 -0.745 20 0 DBADRM CNC(=O)CN1CCCN(C(=O)c2ccoc2CC(=O)[O-])CC1 ZINC001598642342 1017367552 /nfs/dbraw/zinc/36/75/52/1017367552.db2.gz HWXSSTRTYMQCHN-UHFFFAOYSA-N -1 0 323.349 -0.199 20 0 DBADRM CNC(=O)Cc1nc(CN2CCC[C@@H](O)[C@H]2C(=O)[O-])cs1 ZINC001598648739 1017368646 /nfs/dbraw/zinc/36/86/46/1017368646.db2.gz SSLSWWXKQWEJNT-SKDRFNHKSA-N -1 0 313.379 -0.159 20 0 DBADRM CNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001598650927 1017368730 /nfs/dbraw/zinc/36/87/30/1017368730.db2.gz RJUJECLABYUWCI-UHFFFAOYSA-N -1 0 319.314 -0.269 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC001598651173 1017370048 /nfs/dbraw/zinc/37/00/48/1017370048.db2.gz NGOKNCYDSSZVRJ-UHFFFAOYSA-N -1 0 317.305 -0.097 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001598655818 1017370809 /nfs/dbraw/zinc/37/08/09/1017370809.db2.gz KBBCWUHAXLVTEP-LURJTMIESA-N -1 0 311.269 -0.287 20 0 DBADRM CNC(=O)NC[C@H]1CN(Cc2ccc(C(=O)[O-])n2C)CCO1 ZINC001598653924 1017370841 /nfs/dbraw/zinc/37/08/41/1017370841.db2.gz WGJPYUHQMPQEDW-NSHDSACASA-N -1 0 310.354 -0.147 20 0 DBADRM CNC(=O)NCC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001598652834 1017371931 /nfs/dbraw/zinc/37/19/31/1017371931.db2.gz VUFAUTXKZRKKGM-UHFFFAOYSA-N -1 0 322.321 -0.703 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001598653803 1017372227 /nfs/dbraw/zinc/37/22/27/1017372227.db2.gz SDWPEZATCBYUMC-MRVPVSSYSA-N -1 0 310.310 -0.517 20 0 DBADRM CNC(=O)c1ccc(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)cn1 ZINC001598656874 1017374321 /nfs/dbraw/zinc/37/43/21/1017374321.db2.gz WFGHGIPIAZOMMF-QWRGUYRKSA-N -1 0 321.333 -0.092 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC001598659824 1017374622 /nfs/dbraw/zinc/37/46/22/1017374622.db2.gz XTLOMYFZNVCCFB-SECBINFHSA-N -1 0 307.306 -0.243 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cn1 ZINC001598656383 1017374768 /nfs/dbraw/zinc/37/47/68/1017374768.db2.gz BJXVJXVESVWQDZ-MNOVXSKESA-N -1 0 307.306 -0.509 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001598661713 1017374990 /nfs/dbraw/zinc/37/49/90/1017374990.db2.gz KQUHGLFBBBEODC-ZETCQYMHSA-N -1 0 322.325 -0.117 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(c2nc(C)cc(C(=O)[O-])n2)C1 ZINC001598669655 1017379266 /nfs/dbraw/zinc/37/92/66/1017379266.db2.gz PEMLFHFRTSISAJ-QMMMGPOBSA-N -1 0 300.340 -0.389 20 0 DBADRM CNS(=O)(=O)NCC(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001598670297 1017380292 /nfs/dbraw/zinc/38/02/92/1017380292.db2.gz AORLQTNKJIMVCR-JTQLQIEISA-N -1 0 321.399 -0.563 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC001598669837 1017380353 /nfs/dbraw/zinc/38/03/53/1017380353.db2.gz SEWZDWQOWNYCDC-SNVBAGLBSA-N -1 0 314.367 -0.312 20 0 DBADRM CNS(=O)(=O)CC(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-] ZINC001598669390 1017381007 /nfs/dbraw/zinc/38/10/07/1017381007.db2.gz LZKIVSPQGCVIAG-SNVBAGLBSA-N -1 0 316.335 -0.816 20 0 DBADRM CNS(=O)(=O)NCC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001598671860 1017382007 /nfs/dbraw/zinc/38/20/07/1017382007.db2.gz UUGVWXBNTNOKQX-UHFFFAOYSA-N -1 0 319.339 -0.702 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001598670759 1017382224 /nfs/dbraw/zinc/38/22/24/1017382224.db2.gz HUWFNXTWDBHEOJ-VHSXEESVSA-N -1 0 322.383 -0.688 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC001598672190 1017382517 /nfs/dbraw/zinc/38/25/17/1017382517.db2.gz SZDGFUHHXQYARW-JTQLQIEISA-N -1 0 319.383 -0.762 20 0 DBADRM CNS(=O)(=O)CCCOC(=O)c1ccncc1C(=O)[O-] ZINC001598672404 1017383007 /nfs/dbraw/zinc/38/30/07/1017383007.db2.gz QOSVSTPIXUZTDS-UHFFFAOYSA-N -1 0 302.308 -0.124 20 0 DBADRM CNS(=O)(=O)CCNC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001598672596 1017384377 /nfs/dbraw/zinc/38/43/77/1017384377.db2.gz VQLXRQFDHXNNEJ-HWKANZROSA-N -1 0 302.308 -0.344 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)C(=O)[O-])cc1 ZINC001598673094 1017384809 /nfs/dbraw/zinc/38/48/09/1017384809.db2.gz QVIRGJPBJAHSEG-ZETCQYMHSA-N -1 0 315.303 -0.206 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)C(=O)[O-])c1 ZINC001598677529 1017384987 /nfs/dbraw/zinc/38/49/87/1017384987.db2.gz YUJDHYQYOKCTMG-ZETCQYMHSA-N -1 0 315.303 -0.206 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)co1 ZINC001598673128 1017385343 /nfs/dbraw/zinc/38/53/43/1017385343.db2.gz GWQSTNXFUHCFGK-LLVKDONJSA-N -1 0 320.298 -0.174 20 0 DBADRM CNS(=O)(=O)CCCOC(=O)c1cncc(C(=O)[O-])c1 ZINC001598672655 1017386330 /nfs/dbraw/zinc/38/63/30/1017386330.db2.gz YTDSDBWZBHGAAB-UHFFFAOYSA-N -1 0 302.308 -0.124 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-] ZINC001598684043 1017387930 /nfs/dbraw/zinc/38/79/30/1017387930.db2.gz GTVBOEVQLXBHIH-SSDOTTSWSA-N -1 0 311.356 -0.671 20 0 DBADRM COC(=O)[C@@H](C)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598687943 1017388025 /nfs/dbraw/zinc/38/80/25/1017388025.db2.gz CAEWXERBSAWQSQ-IUCAKERBSA-N -1 0 300.311 -0.765 20 0 DBADRM CNc1nnc(CC(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)s1 ZINC001598682436 1017388353 /nfs/dbraw/zinc/38/83/53/1017388353.db2.gz JVNQEUREFGCFEI-SFYZADRCSA-N -1 0 314.367 -0.024 20 0 DBADRM COC(=O)C(C)(C)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001598683852 1017389292 /nfs/dbraw/zinc/38/92/92/1017389292.db2.gz JMBUPFBMQAQVIR-UHFFFAOYSA-N -1 0 311.294 -0.270 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001598687994 1017389369 /nfs/dbraw/zinc/38/93/69/1017389369.db2.gz LGRFQWMVYLSEQQ-BBBLOLIVSA-N -1 0 323.367 -0.263 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC[C@H]1CCOC1 ZINC001598694670 1017389848 /nfs/dbraw/zinc/38/98/48/1017389848.db2.gz MORYSRDRXMXDQK-VHSXEESVSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC001598692886 1017389910 /nfs/dbraw/zinc/38/99/10/1017389910.db2.gz FIVKLDFGMMTAHC-VHSXEESVSA-N -1 0 314.338 -0.377 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CCn1c(C)csc1=O ZINC001598693334 1017390166 /nfs/dbraw/zinc/39/01/66/1017390166.db2.gz MIIFYAOMHIZFMZ-MRVPVSSYSA-N -1 0 316.335 -0.259 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cncc(OC)c1 ZINC001598694656 1017390228 /nfs/dbraw/zinc/39/02/28/1017390228.db2.gz MEYUCYDTKMXONT-VIFPVBQESA-N -1 0 318.307 -0.615 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(CNC(N)=O)cc1 ZINC001598691834 1017390263 /nfs/dbraw/zinc/39/02/63/1017390263.db2.gz GFPTXJMJGGJNME-JTQLQIEISA-N -1 0 323.305 -0.399 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC001598693469 1017390313 /nfs/dbraw/zinc/39/03/13/1017390313.db2.gz NNMZODDKRUPKLS-YUMQZZPRSA-N -1 0 312.278 -0.470 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CS(=O)(=O)CC(C)C ZINC001598694683 1017390669 /nfs/dbraw/zinc/39/06/69/1017390669.db2.gz VAAYOLCRTCIJMV-MRVPVSSYSA-N -1 0 309.340 -0.810 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc2n[nH]nc2cc1F ZINC001598692086 1017390731 /nfs/dbraw/zinc/39/07/31/1017390731.db2.gz HYXDVEITWLYZID-VIFPVBQESA-N -1 0 310.241 -0.157 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(OCC(N)=O)cc1 ZINC001598693280 1017391027 /nfs/dbraw/zinc/39/10/27/1017391027.db2.gz QVVNDPQDCREXAX-JTQLQIEISA-N -1 0 324.289 -0.703 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc2c(cn1)OCCO2 ZINC001598692835 1017391142 /nfs/dbraw/zinc/39/11/42/1017391142.db2.gz OELPHLGNKJVGGR-QMMMGPOBSA-N -1 0 310.262 -0.401 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CNc1ccccc1C(N)=O ZINC001598694232 1017391397 /nfs/dbraw/zinc/39/13/97/1017391397.db2.gz SOLWUGNUOZCKJR-SNVBAGLBSA-N -1 0 323.305 -0.670 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)C[C@@H]1CCC1(F)F ZINC001598695450 1017393409 /nfs/dbraw/zinc/39/34/09/1017393409.db2.gz VEDSJZZVRPLFEE-BQBZGAKWSA-N -1 0 315.294 -0.033 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001598695571 1017393622 /nfs/dbraw/zinc/39/36/22/1017393622.db2.gz VSZPOBCSCABKMM-QMMMGPOBSA-N -1 0 323.261 -0.841 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1CCC(N2CCNC2=O)CC1 ZINC001598697879 1017394041 /nfs/dbraw/zinc/39/40/41/1017394041.db2.gz IIVQTPLKPKXVQR-LLVKDONJSA-N -1 0 313.354 -0.118 20 0 DBADRM COC(=O)[C@@H](CCF)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001598696909 1017394125 /nfs/dbraw/zinc/39/41/25/1017394125.db2.gz BGGKCPTZWFOTCR-ZCFIWIBFSA-N -1 0 323.302 -0.404 20 0 DBADRM COC(=O)[C@H](CF)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598698597 1017394213 /nfs/dbraw/zinc/39/42/13/1017394213.db2.gz KSHPKPKRRBTRFE-QMMMGPOBSA-N -1 0 306.271 -0.431 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)C(C)C ZINC001598703997 1017395141 /nfs/dbraw/zinc/39/51/41/1017395141.db2.gz YSQIBEKIHWWXAU-NSHDSACASA-N -1 0 310.306 -0.140 20 0 DBADRM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CC[C@@](O)(C(N)=O)C1 ZINC001598713753 1017395172 /nfs/dbraw/zinc/39/51/72/1017395172.db2.gz RESLSKZNGQUTJI-ABAIWWIYSA-N -1 0 322.317 -0.479 20 0 DBADRM COC(=O)[C@@H](CCF)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001598700113 1017395412 /nfs/dbraw/zinc/39/54/12/1017395412.db2.gz VNJIMUAJIVCYIX-SSDOTTSWSA-N -1 0 300.308 -0.872 20 0 DBADRM COC(=O)[C@@H](Cn1ccnc1)NC(=O)c1cc(C(=O)[O-])no1 ZINC001598701522 1017396366 /nfs/dbraw/zinc/39/63/66/1017396366.db2.gz HDEXIEQCOIMYHP-MRVPVSSYSA-N -1 0 308.250 -0.459 20 0 DBADRM COC(=O)C1(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001598716006 1017396550 /nfs/dbraw/zinc/39/65/50/1017396550.db2.gz DGPQNYPPNUXRMH-MRVPVSSYSA-N -1 0 308.294 -0.297 20 0 DBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001598701333 1017397237 /nfs/dbraw/zinc/39/72/37/1017397237.db2.gz FMKPYKVFDQIWKV-DCAQKATOSA-N -1 0 324.337 -0.173 20 0 DBADRM COC(=O)[C@H](Cn1ccnc1)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001598703451 1017397350 /nfs/dbraw/zinc/39/73/50/1017397350.db2.gz VMGBSPYNVDVBAM-LPEHRKFASA-N -1 0 311.294 -0.827 20 0 DBADRM COC(=O)[C@]1(NC(=O)c2cnc(C(=O)[O-])cn2)CCSC1 ZINC001598724519 1017398728 /nfs/dbraw/zinc/39/87/28/1017398728.db2.gz CPPCWLVESMMDOG-LBPRGKRZSA-N -1 0 311.319 -0.047 20 0 DBADRM COC(=O)C1(C)CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1 ZINC001598718714 1017398755 /nfs/dbraw/zinc/39/87/55/1017398755.db2.gz VNZHZBRVYWXMKZ-SECBINFHSA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)C1(NC(=O)[C@H]2[C@H](C(=O)NC3(C(=O)[O-])CC3)[C@@H]2C)CC1 ZINC001598723393 1017399232 /nfs/dbraw/zinc/39/92/32/1017399232.db2.gz GIVGYYYUJFPVSV-DJLDLDEBSA-N -1 0 324.333 -0.576 20 0 DBADRM COC(=O)C1(NC(=O)CN[C@@](C)(CO)C(=O)[O-])CCCCC1 ZINC001598722668 1017399770 /nfs/dbraw/zinc/39/97/70/1017399770.db2.gz SATKWMUEMMMWFF-ZDUSSCGKSA-N -1 0 316.354 -0.596 20 0 DBADRM COC(=O)[C@]1(OC)CCN(C(=O)NC/C=C(/C)C(=O)[O-])C1 ZINC001598726421 1017401316 /nfs/dbraw/zinc/40/13/16/1017401316.db2.gz SZWVCMWTLXMQIV-PRUHKGEBSA-N -1 0 300.311 -0.009 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1 ZINC001598725435 1017401326 /nfs/dbraw/zinc/40/13/26/1017401326.db2.gz WYLPDGQNKNYMTF-RBZYPMLTSA-N -1 0 315.322 -0.465 20 0 DBADRM COC(=O)[C@@]1(OC)CCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1 ZINC001598726530 1017401574 /nfs/dbraw/zinc/40/15/74/1017401574.db2.gz WVFWLUIZEBKTTK-QPUJVOFHSA-N -1 0 302.283 -0.887 20 0 DBADRM COC(=O)C1(NS(=O)(=O)N2CCC2)CCC(C(=O)[O-])CC1 ZINC001598725177 1017401820 /nfs/dbraw/zinc/40/18/20/1017401820.db2.gz VEAHELKPKYHWES-UHFFFAOYSA-N -1 0 320.367 -0.287 20 0 DBADRM COC(=O)[C@]1(O)CCN(CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001598725238 1017402232 /nfs/dbraw/zinc/40/22/32/1017402232.db2.gz WQKKGCHNPQZYFF-HNNXBMFYSA-N -1 0 322.317 -0.067 20 0 DBADRM COC(=O)C1(NCCC(=O)N(C)CC(=O)[O-])CCOCC1 ZINC001598725880 1017402285 /nfs/dbraw/zinc/40/22/85/1017402285.db2.gz SKTMZLFPDHVZMI-UHFFFAOYSA-N -1 0 302.327 -0.769 20 0 DBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1cccc(C(=O)[O-])n1 ZINC001598741896 1017403360 /nfs/dbraw/zinc/40/33/60/1017403360.db2.gz JNKQWOGBUWRZTI-QWRGUYRKSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)[C@H]1CC(=O)N(CN2CCSC[C@@H]2CC(=O)[O-])C1 ZINC001598740797 1017403487 /nfs/dbraw/zinc/40/34/87/1017403487.db2.gz GLXUQBGQXKIGER-UWVGGRQHSA-N -1 0 316.379 -0.143 20 0 DBADRM COC(=O)[C@H]1CC(=O)N(CN2C[C@@H](C)O[C@@H](C(=O)[O-])C2)C1 ZINC001598743172 1017403570 /nfs/dbraw/zinc/40/35/70/1017403570.db2.gz LTJHKRGKSAKXLQ-KXUCPTDWSA-N -1 0 300.311 -0.861 20 0 DBADRM COC(=O)[C@H]1[C@H](O)CCCN1S(=O)(=O)CCCC(=O)[O-] ZINC001598744996 1017403635 /nfs/dbraw/zinc/40/36/35/1017403635.db2.gz RDIYVXFCYOWYTA-PSASIEDQSA-N -1 0 309.340 -0.821 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CO[C@H]1CCOC1 ZINC001598742280 1017403977 /nfs/dbraw/zinc/40/39/77/1017403977.db2.gz ACZHOIIMKPSQQR-VWYCJHECSA-N -1 0 315.322 -0.343 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)Cc1cncn1C ZINC001598744841 1017404021 /nfs/dbraw/zinc/40/40/21/1017404021.db2.gz INJRCNFOJOCMBG-GXSJLCMTSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCC1CC1 ZINC001598744328 1017404036 /nfs/dbraw/zinc/40/40/36/1017404036.db2.gz OQSOYGFJNCUFFV-VHSXEESVSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCC(=O)N1C ZINC001598748140 1017404919 /nfs/dbraw/zinc/40/49/19/1017404919.db2.gz DWYSLAUTZQBCRI-UTLUCORTSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001598749276 1017405164 /nfs/dbraw/zinc/40/51/64/1017405164.db2.gz KXSROMPDHASCTB-VWYCJHECSA-N -1 0 314.338 -0.818 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)C[C@H](C)NC(N)=O ZINC001598748253 1017405182 /nfs/dbraw/zinc/40/51/82/1017405182.db2.gz GMRLFZQWKOGYGN-CIUDSAMLSA-N -1 0 315.326 -0.702 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cnn(C)c1N ZINC001598750038 1017405257 /nfs/dbraw/zinc/40/52/57/1017405257.db2.gz HWJYJDIFRCZUBK-CBAPKCEASA-N -1 0 310.310 -0.519 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(CO)on1 ZINC001598745333 1017405449 /nfs/dbraw/zinc/40/54/49/1017405449.db2.gz LLRDOQPPECJTDJ-XCBNKYQSSA-N -1 0 312.278 -0.355 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cc(CO)on1 ZINC001598745334 1017405570 /nfs/dbraw/zinc/40/55/70/1017405570.db2.gz LLRDOQPPECJTDJ-XVKPBYJWSA-N -1 0 312.278 -0.355 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001598749009 1017405603 /nfs/dbraw/zinc/40/56/03/1017405603.db2.gz CPHKLZABPKEFDU-HTQZYQBOSA-N -1 0 324.289 -0.143 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cc1cnn(C)c1 ZINC001598745205 1017405835 /nfs/dbraw/zinc/40/58/35/1017405835.db2.gz KMLXECKHQQDGIM-MNOVXSKESA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001598757850 1017407234 /nfs/dbraw/zinc/40/72/34/1017407234.db2.gz QKSRVHFLDWPQDB-DJRKXVOMSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1CC(=O)Nc1ccncc1 ZINC001598753548 1017407743 /nfs/dbraw/zinc/40/77/43/1017407743.db2.gz VOTRMENJZZCLFX-ZYHUDNBSSA-N -1 0 321.333 -0.220 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001598758255 1017407852 /nfs/dbraw/zinc/40/78/52/1017407852.db2.gz SDWFSBHDLOEMFH-AXTSPUMRSA-N -1 0 321.351 -0.965 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C[C@@H](O)C1(O)CCC1 ZINC001598753523 1017408125 /nfs/dbraw/zinc/40/81/25/1017408125.db2.gz VCZMCSZSXJXAFO-OUAUKWLOSA-N -1 0 301.339 -0.400 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@H](O)c1cccnc1 ZINC001598762186 1017408196 /nfs/dbraw/zinc/40/81/96/1017408196.db2.gz HSEMTZPPYNWMCR-GRYCIOLGSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001598754601 1017408373 /nfs/dbraw/zinc/40/83/73/1017408373.db2.gz FQRJGRNNXUSBGF-KYXWUPHJSA-N -1 0 301.295 -0.999 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1CCC(=O)N1C ZINC001598763482 1017409098 /nfs/dbraw/zinc/40/90/98/1017409098.db2.gz SDTKOVJNTUBRMQ-AEJSXWLSSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@@H]1CCC(=O)N1C ZINC001598763485 1017409298 /nfs/dbraw/zinc/40/92/98/1017409298.db2.gz SDTKOVJNTUBRMQ-UTLUCORTSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccn(C)c(=O)c1 ZINC001598765629 1017409334 /nfs/dbraw/zinc/40/93/34/1017409334.db2.gz AYGLAWTXVKOWFQ-GHMZBOCLSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cn[nH]c(=O)c1 ZINC001598765314 1017409357 /nfs/dbraw/zinc/40/93/57/1017409357.db2.gz BBBHAXKVDVOZCW-APPZFPTMSA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccn(C)c(=O)c1 ZINC001598765630 1017409428 /nfs/dbraw/zinc/40/94/28/1017409428.db2.gz AYGLAWTXVKOWFQ-MNOVXSKESA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCC(N)=O ZINC001598763269 1017409618 /nfs/dbraw/zinc/40/96/18/1017409618.db2.gz PGDBCMFHQVVYAT-RKDXNWHRSA-N -1 0 300.311 -0.493 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCS(C)(=O)=O ZINC001598764698 1017409747 /nfs/dbraw/zinc/40/97/47/1017409747.db2.gz DHUMOUVGEIZXQX-BDAKNGLRSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC)CCN1CCC(=O)N(C)CC(=O)[O-] ZINC001598767732 1017410240 /nfs/dbraw/zinc/41/02/40/1017410240.db2.gz YAKIXUAWVNYLSO-QWRGUYRKSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cnn(C)c1N ZINC001598765266 1017410367 /nfs/dbraw/zinc/41/03/67/1017410367.db2.gz ALIJTAASZCKJRJ-APPZFPTMSA-N -1 0 310.310 -0.519 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCC(N)=O ZINC001598763268 1017410539 /nfs/dbraw/zinc/41/05/39/1017410539.db2.gz PGDBCMFHQVVYAT-IUCAKERBSA-N -1 0 300.311 -0.493 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C[C@H]1CCS(=O)(=O)C1 ZINC001598768237 1017411200 /nfs/dbraw/zinc/41/12/00/1017411200.db2.gz LHKYYFVNXLTLSK-VWYCJHECSA-N -1 0 319.379 -0.241 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cn1nccc1N ZINC001598769872 1017411173 /nfs/dbraw/zinc/41/11/73/1017411173.db2.gz UVFNVRJHKMICTL-BDAKNGLRSA-N -1 0 310.310 -0.670 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(=O)n(C)cn1 ZINC001598768816 1017411310 /nfs/dbraw/zinc/41/13/10/1017411310.db2.gz SKKZJVGBLXPLNF-PSASIEDQSA-N -1 0 323.305 -0.741 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C[C@@H](O)CC1(O)CCC1 ZINC001598771228 1017411586 /nfs/dbraw/zinc/41/15/86/1017411586.db2.gz RCPIZXNGOQUFMM-SRVKXCTJSA-N -1 0 315.366 -0.009 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C[C@H](O)CC1(O)CCC1 ZINC001598771232 1017412033 /nfs/dbraw/zinc/41/20/33/1017412033.db2.gz RCPIZXNGOQUFMM-UTUOFQBUSA-N -1 0 315.366 -0.009 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cncc(OC)n2)C1 ZINC001598773442 1017412770 /nfs/dbraw/zinc/41/27/70/1017412770.db2.gz AJLKEHIUDQXABK-SCZZXKLOSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001598769263 1017412865 /nfs/dbraw/zinc/41/28/65/1017412865.db2.gz ODVNYEDKWGCYQH-XCBNKYQSSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(=O)cc[nH]1 ZINC001598773154 1017412925 /nfs/dbraw/zinc/41/29/25/1017412925.db2.gz YUPVMFYPWSHIKE-LDYMZIIASA-N -1 0 308.290 -0.147 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(CC(=O)Nc2ccncc2)C1 ZINC001598775283 1017414084 /nfs/dbraw/zinc/41/40/84/1017414084.db2.gz HXWMVFPOZIGXCI-PWSUYJOCSA-N -1 0 321.333 -0.220 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCS(C)(=O)=O)C1 ZINC001598775938 1017414183 /nfs/dbraw/zinc/41/41/83/1017414183.db2.gz NUTZJBDBTXLLRC-RKDXNWHRSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cn(C)ccc2=O)C1 ZINC001598773572 1017414463 /nfs/dbraw/zinc/41/44/63/1017414463.db2.gz BDDSEMJRMXWMCL-MWLCHTKSSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCCC(N)=O)C1 ZINC001598774800 1017414577 /nfs/dbraw/zinc/41/45/77/1017414577.db2.gz LHYNCUBGKSSEPA-IUCAKERBSA-N -1 0 300.311 -0.493 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2coc(C(N)=O)c2)C1 ZINC001598773547 1017414591 /nfs/dbraw/zinc/41/45/91/1017414591.db2.gz AWGPGLBQGAQJOK-CBAPKCEASA-N -1 0 324.289 -0.143 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)CSCC(N)=O)C1 ZINC001598776460 1017414945 /nfs/dbraw/zinc/41/49/45/1017414945.db2.gz OPBSKROQGZHIEA-JGVFFNPUSA-N -1 0 318.351 -0.930 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2nonc2C)C1 ZINC001598774784 1017415107 /nfs/dbraw/zinc/41/51/07/1017415107.db2.gz LEGKGLUDGNBWMP-WCBMZHEXSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2nonc2C)C1 ZINC001598774783 1017415229 /nfs/dbraw/zinc/41/52/29/1017415229.db2.gz LEGKGLUDGNBWMP-SCZZXKLOSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2cn(C)nn2)C1 ZINC001598777607 1017416532 /nfs/dbraw/zinc/41/65/32/1017416532.db2.gz QYJHJNYXRLUART-ONGXEEELSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001598778238 1017416788 /nfs/dbraw/zinc/41/67/88/1017416788.db2.gz CYOJFABAHUNPHP-BBBLOLIVSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](O)c2cccnc2)C1 ZINC001598777570 1017417152 /nfs/dbraw/zinc/41/71/52/1017417152.db2.gz BFRRJPCXBMGONX-WOPDTQHZSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001598783453 1017417235 /nfs/dbraw/zinc/41/72/35/1017417235.db2.gz YOAYQNWYXPMBTP-AEJSXWLSSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)C1CCC(NC(=O)CNC(C)=O)(C(=O)[O-])CC1 ZINC001598784313 1017417343 /nfs/dbraw/zinc/41/73/43/1017417343.db2.gz GAIHNXZBYJLOLW-UHFFFAOYSA-N -1 0 300.311 -0.575 20 0 DBADRM COC(=O)[C@H]1CSCCN1S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001598826334 1017436439 /nfs/dbraw/zinc/43/64/39/1017436439.db2.gz SGZDXZDIOUJIAE-JGVFFNPUSA-N -1 0 311.381 -0.373 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)NCC2CC2)[C@H](C(=O)[O-])C1 ZINC001598790992 1017418978 /nfs/dbraw/zinc/41/89/78/1017418978.db2.gz TWRJTKWBIHFGFS-UWVGGRQHSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@H](C(=O)[O-])C1 ZINC001598793019 1017419369 /nfs/dbraw/zinc/41/93/69/1017419369.db2.gz OFVGKQUJLGMGJY-VWYCJHECSA-N -1 0 314.338 -0.818 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N[C@@H](CCF)C(=O)[O-])C1=O ZINC001598790712 1017419600 /nfs/dbraw/zinc/41/96/00/1017419600.db2.gz RJIPDQLAZPLVKD-IUCAKERBSA-N -1 0 318.301 -0.673 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001598789261 1017419726 /nfs/dbraw/zinc/41/97/26/1017419726.db2.gz KOPRJKSGBFDCGS-ZETCQYMHSA-N -1 0 324.293 -0.922 20 0 DBADRM COC(=O)[C@@H]1CCC[C@@H](C(=O)NCC(=O)NCC(=O)[O-])C1 ZINC001598790919 1017420062 /nfs/dbraw/zinc/42/00/62/1017420062.db2.gz MXQFCMQIZSXQSB-RKDXNWHRSA-N -1 0 300.311 -0.717 20 0 DBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)[C@H]1C ZINC001598799611 1017421416 /nfs/dbraw/zinc/42/14/16/1017421416.db2.gz OLUJMMSBLFGHST-NKWVEPMBSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)[C@@H]1C ZINC001598799616 1017421687 /nfs/dbraw/zinc/42/16/87/1017421687.db2.gz OLUJMMSBLFGHST-RQJHMYQMSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)[C@@H]1C ZINC001598797627 1017421962 /nfs/dbraw/zinc/42/19/62/1017421962.db2.gz FSPIPUOPBGYVJI-RQJHMYQMSA-N -1 0 318.307 -0.055 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H]2CSC(=O)N2)[C@@H](C(=O)[O-])C1 ZINC001598795537 1017422130 /nfs/dbraw/zinc/42/21/30/1017422130.db2.gz YELZZCRCDAWOMH-BWZBUEFSSA-N -1 0 316.335 -0.324 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)[C@@H](C(=O)[O-])C1 ZINC001598798920 1017422262 /nfs/dbraw/zinc/42/22/62/1017422262.db2.gz RTTIJCXRDCFAOF-OPRDCNLKSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)[C@H](C(=O)[O-])C1 ZINC001598793973 1017422298 /nfs/dbraw/zinc/42/22/98/1017422298.db2.gz RUTKIUURKLKSJH-BBBLOLIVSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cc(OC)ncn2)[C@@H](C(=O)[O-])C1 ZINC001598795089 1017422407 /nfs/dbraw/zinc/42/24/07/1017422407.db2.gz CMSAXPMAZDNMIC-WCBMZHEXSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H]2NC(=O)O[C@@H]2C)[C@@H](C(=O)[O-])C1 ZINC001598794003 1017422516 /nfs/dbraw/zinc/42/25/16/1017422516.db2.gz RUYPKPBQJFLLBS-FNCVBFRFSA-N -1 0 314.294 -0.652 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cn(C)ccc2=O)[C@@H](C(=O)[O-])C1 ZINC001598795672 1017422644 /nfs/dbraw/zinc/42/26/44/1017422644.db2.gz PATICGUGJTYJMC-GXSJLCMTSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1CCN1C(=O)[C@H]1C[C@H]1C(=O)N1CC[C@H]1C(=O)[O-] ZINC001598804728 1017424314 /nfs/dbraw/zinc/42/43/14/1017424314.db2.gz XOWNHFWSAPXQGP-XFWSIPNHSA-N -1 0 310.306 -0.918 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CC(C)C)C[C@@H]1C(=O)[O-] ZINC001598802985 1017424382 /nfs/dbraw/zinc/42/43/82/1017424382.db2.gz HYSCADFTYUTLSS-VHSXEESVSA-N -1 0 314.338 -0.567 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCC[C@H]2CCOC2)C[C@@H]1C(=O)[O-] ZINC001598806091 1017424408 /nfs/dbraw/zinc/42/44/08/1017424408.db2.gz BKXYQTUNWMGFSD-GARJFASQSA-N -1 0 314.338 -0.072 20 0 DBADRM COC(=O)C1CN(C(=O)/C=C(/C)C(=O)N2CC(C(=O)[O-])C2)C1 ZINC001598805884 1017424614 /nfs/dbraw/zinc/42/46/14/1017424614.db2.gz FKDTULQZYUIUMQ-BAQGIRSFSA-N -1 0 310.306 -0.893 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[C@@H]3C2)C[C@@H]1C(=O)[O-] ZINC001598805170 1017424630 /nfs/dbraw/zinc/42/46/30/1017424630.db2.gz ZWJVACMYFIIKBI-CHWFTXMASA-N -1 0 324.333 -0.813 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@H]1C(=O)[O-] ZINC001598806146 1017424901 /nfs/dbraw/zinc/42/49/01/1017424901.db2.gz FFGCXXHMEFXRRA-GHMZBOCLSA-N -1 0 309.322 -0.168 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCOC[C@@H]2C)C[C@H]1C(=O)[O-] ZINC001598809609 1017426107 /nfs/dbraw/zinc/42/61/07/1017426107.db2.gz QRPRXPASNHMQHK-LNFKQOIKSA-N -1 0 314.338 -0.073 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCC2CSC2)C[C@H]1C(=O)[O-] ZINC001598810125 1017426206 /nfs/dbraw/zinc/42/62/06/1017426206.db2.gz RYAGURIAORYTHQ-BDAKNGLRSA-N -1 0 302.352 -0.135 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1C(=O)[O-] ZINC001598810482 1017426577 /nfs/dbraw/zinc/42/65/77/1017426577.db2.gz LFMOOHWBHGHMBP-MNOVXSKESA-N -1 0 309.322 -0.315 20 0 DBADRM COC(=O)C1CN(C(=O)C2(C(=O)N3CC(C(=O)[O-])C3)CCC2)C1 ZINC001598808745 1017426679 /nfs/dbraw/zinc/42/66/79/1017426679.db2.gz PWDMPUHAWGAKDV-UHFFFAOYSA-N -1 0 324.333 -0.669 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCn2cccn2)C[C@H]1C(=O)[O-] ZINC001598808098 1017426693 /nfs/dbraw/zinc/42/66/93/1017426693.db2.gz LEWHRJLJNNHLCC-NXEZZACHSA-N -1 0 310.310 -0.602 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)c2ccn(C)n2)C[C@@H]1C(=O)[O-] ZINC001598808235 1017426706 /nfs/dbraw/zinc/42/67/06/1017426706.db2.gz MPIOLQZULOYMPC-LPEHRKFASA-N -1 0 324.337 -0.004 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)/C=C\Cn2cncn2)C[C@H]1C(=O)[O-] ZINC001598810166 1017426791 /nfs/dbraw/zinc/42/67/91/1017426791.db2.gz VHAGCGZZLJAYHB-JAFKPYBISA-N -1 0 308.294 -0.834 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@H]1C(=O)[O-] ZINC001598809691 1017426803 /nfs/dbraw/zinc/42/68/03/1017426803.db2.gz IXKVMXGZKXAZSQ-RKDXNWHRSA-N -1 0 311.294 -0.357 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCOC[C@@H]2C)C[C@@H]1C(=O)[O-] ZINC001598809611 1017426879 /nfs/dbraw/zinc/42/68/79/1017426879.db2.gz QRPRXPASNHMQHK-UKKRHICBSA-N -1 0 314.338 -0.073 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCn2cccn2)C[C@@H]1C(=O)[O-] ZINC001598808100 1017427196 /nfs/dbraw/zinc/42/71/96/1017427196.db2.gz LEWHRJLJNNHLCC-VHSXEESVSA-N -1 0 310.310 -0.602 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCOCC2CC2)C[C@@H]1C(=O)[O-] ZINC001598812514 1017428951 /nfs/dbraw/zinc/42/89/51/1017428951.db2.gz ZWRWSEMQIBDXAK-QWRGUYRKSA-N -1 0 314.338 -0.072 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)C)C[C@H]1C(=O)[O-] ZINC001598813790 1017428980 /nfs/dbraw/zinc/42/89/80/1017428980.db2.gz HVVBRWJQBWGSHR-VGMNWLOBSA-N -1 0 315.326 -0.989 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2COC[C@H]2C)C[C@@H]1C(=O)[O-] ZINC001598810786 1017429042 /nfs/dbraw/zinc/42/90/42/1017429042.db2.gz VWFKOSZIYSLCCX-UTINFBMNSA-N -1 0 300.311 -0.464 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@@H]1C(=O)[O-] ZINC001598811097 1017429517 /nfs/dbraw/zinc/42/95/17/1017429517.db2.gz YQGPHICTJYNMJE-ZMLRMANQSA-N -1 0 321.333 -0.222 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598816101 1017430832 /nfs/dbraw/zinc/43/08/32/1017430832.db2.gz JMXQVQUBRTUCRP-WDEREUQCSA-N -1 0 320.301 -0.269 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2cncn2C)C[C@H]1C(=O)[O-] ZINC001598815975 1017430886 /nfs/dbraw/zinc/43/08/86/1017430886.db2.gz PMSATGVHOSVCSR-NXEZZACHSA-N -1 0 310.310 -0.565 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cc(F)c[nH]c2=O)C[C@@H]1C(=O)[O-] ZINC001598815371 1017431348 /nfs/dbraw/zinc/43/13/48/1017431348.db2.gz HCROPFMTWTXXQB-IUCAKERBSA-N -1 0 312.253 -0.128 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccc(C(N)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598816099 1017431633 /nfs/dbraw/zinc/43/16/33/1017431633.db2.gz JMXQVQUBRTUCRP-QWRGUYRKSA-N -1 0 320.301 -0.269 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@H]1C(=O)[O-] ZINC001598815884 1017431862 /nfs/dbraw/zinc/43/18/62/1017431862.db2.gz QBYODHWJXYPHKR-ZJUUUORDSA-N -1 0 308.290 -0.371 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)N=S(C)(C)=O)C[C@H]1C(=O)[O-] ZINC001598821780 1017433265 /nfs/dbraw/zinc/43/32/65/1017433265.db2.gz MJWUPADFPHVJFB-SFYZADRCSA-N -1 0 306.340 -0.954 20 0 DBADRM COC(=O)[C@@H]1CN([C@H](C)c2nnnn2C2CC2)C[C@@H]1C(=O)[O-] ZINC001598820920 1017433833 /nfs/dbraw/zinc/43/38/33/1017433833.db2.gz WJUGJBLGYKKZQK-FKTZTGRPSA-N -1 0 309.326 -0.125 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)Nc2nccs2)C[C@@H]1C(=O)[O-] ZINC001598820655 1017434084 /nfs/dbraw/zinc/43/40/84/1017434084.db2.gz IPTKQQYDVZWYCW-JGVFFNPUSA-N -1 0 313.335 -0.113 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)Nc2cnccn2)C[C@@H]1C(=O)[O-] ZINC001598821041 1017434873 /nfs/dbraw/zinc/43/48/73/1017434873.db2.gz JRTKVILQDSSVGB-DTWKUNHWSA-N -1 0 308.294 -0.779 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497590098 1017436014 /nfs/dbraw/zinc/43/60/14/1017436014.db2.gz NFWUZEMEELNFGY-MOVJSRMASA-N -1 0 310.358 -0.813 20 0 DBADRM COC(=O)[C@@H]1COCCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598825421 1017436422 /nfs/dbraw/zinc/43/64/22/1017436422.db2.gz NKQWCYCMVXRPAA-QMMMGPOBSA-N -1 0 307.324 -0.945 20 0 DBADRM COC(=O)[C@@H]1CN(c2cc(-n3ccnc3)ncn2)C[C@@H]1C(=O)[O-] ZINC001598824949 1017436566 /nfs/dbraw/zinc/43/65/66/1017436566.db2.gz BFTGLSKOKRTCPM-VHSXEESVSA-N -1 0 317.305 -0.028 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1C(=O)[O-] ZINC001598823912 1017436743 /nfs/dbraw/zinc/43/67/43/1017436743.db2.gz XYLQKCGKPNIARS-PHDIDXHHSA-N -1 0 300.292 -0.206 20 0 DBADRM COC(=O)[C@H]1CSCCN(Cc2cn(CC(=O)[O-])nn2)C1 ZINC001598826793 1017436878 /nfs/dbraw/zinc/43/68/78/1017436878.db2.gz WOVGAJQOWSJUQZ-SECBINFHSA-N -1 0 314.367 -0.299 20 0 DBADRM COC(=O)[C@H]1CN(c2nnc(C3(OC)CC3)n2C)C[C@H]1C(=O)[O-] ZINC001598826974 1017437958 /nfs/dbraw/zinc/43/79/58/1017437958.db2.gz LAHJNBPLEPLXNE-BDAKNGLRSA-N -1 0 324.337 -0.239 20 0 DBADRM COC(=O)[C@H]1CN(c2cc(-n3ccnc3)ncn2)C[C@H]1C(=O)[O-] ZINC001598824952 1017438028 /nfs/dbraw/zinc/43/80/28/1017438028.db2.gz BFTGLSKOKRTCPM-ZJUUUORDSA-N -1 0 317.305 -0.028 20 0 DBADRM COC(=O)[C@@H]1CSCCN(Cc2cn(CC(=O)[O-])nn2)C1 ZINC001598826795 1017438147 /nfs/dbraw/zinc/43/81/47/1017438147.db2.gz WOVGAJQOWSJUQZ-VIFPVBQESA-N -1 0 314.367 -0.299 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1C(=O)[O-] ZINC001598823605 1017438236 /nfs/dbraw/zinc/43/82/36/1017438236.db2.gz WXPGGVMQDZFFSP-NXEZZACHSA-N -1 0 323.305 -0.389 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)N2CC[C@@H](C)C2)C[C@H]1C(=O)[O-] ZINC001598828897 1017439202 /nfs/dbraw/zinc/43/92/02/1017439202.db2.gz YWPWCFWPWCYTEF-OPRDCNLKSA-N -1 0 320.367 -0.621 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)[O-] ZINC001598836432 1017439237 /nfs/dbraw/zinc/43/92/37/1017439237.db2.gz CAHYTXMEFYSPTA-QWRGUYRKSA-N -1 0 321.285 -0.099 20 0 DBADRM COC(=O)/C=C\[C@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598832882 1017439334 /nfs/dbraw/zinc/43/93/34/1017439334.db2.gz ZEUJZTNEMIISSY-QEJZFVATSA-N -1 0 312.322 -0.457 20 0 DBADRM COC(=O)[C@@H]1CN(CN2CC(F)(F)CC2=O)C[C@H]1C(=O)[O-] ZINC001598829511 1017439356 /nfs/dbraw/zinc/43/93/56/1017439356.db2.gz SNKLRHODQIKPFX-HTQZYQBOSA-N -1 0 306.265 -0.383 20 0 DBADRM COC(=O)/C=C/[C@@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001598832001 1017439449 /nfs/dbraw/zinc/43/94/49/1017439449.db2.gz QNFLRJIFDFHPHQ-CDAZIORVSA-N -1 0 320.367 -0.265 20 0 DBADRM COC(=O)CC(=O)N1CCN(C(=O)CC(=O)[O-])C[C@@H](C)C1 ZINC001598832162 1017439565 /nfs/dbraw/zinc/43/95/65/1017439565.db2.gz QYGGQYJGATVWFY-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM COC(=O)C[C@H](C)C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001598835600 1017439730 /nfs/dbraw/zinc/43/97/30/1017439730.db2.gz IDMUCFODKHIYTA-YIZRAAEISA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)[C@@H]1CN(CN2CC(F)(F)CC2=O)C[C@@H]1C(=O)[O-] ZINC001598829512 1017439929 /nfs/dbraw/zinc/43/99/29/1017439929.db2.gz SNKLRHODQIKPFX-JGVFFNPUSA-N -1 0 306.265 -0.383 20 0 DBADRM COC(=O)C[C@H](NC(=O)CC1CCN(OC)CC1)C(=O)[O-] ZINC001598836678 1017440372 /nfs/dbraw/zinc/44/03/72/1017440372.db2.gz GFEPVTOXMACOEI-JTQLQIEISA-N -1 0 302.327 -0.218 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H](O)c1cccc(OC)c1)C(=O)[O-] ZINC001598836380 1017440489 /nfs/dbraw/zinc/44/04/89/1017440489.db2.gz BAQXCSCYNYFUIU-PWSUYJOCSA-N -1 0 311.290 -0.139 20 0 DBADRM COC(=O)[C@@H]1CN(Cc2nc(CO)cs2)C[C@H]1C(=O)[O-] ZINC001598828949 1017440568 /nfs/dbraw/zinc/44/05/68/1017440568.db2.gz ZYNFGZZNZQXTIT-RKDXNWHRSA-N -1 0 300.336 -0.059 20 0 DBADRM COC(=O)CC(=O)N1CCN(C(=O)CC(=O)[O-])[C@@H](C)[C@@H]1C ZINC001598831122 1017440673 /nfs/dbraw/zinc/44/06/73/1017440673.db2.gz HKLJTYOJKWCLLG-IUCAKERBSA-N -1 0 300.311 -0.528 20 0 DBADRM COC(=O)C[C@@H](O)CNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001598841425 1017441525 /nfs/dbraw/zinc/44/15/25/1017441525.db2.gz QCGDKLIGCXCVSM-ZCFIWIBFSA-N -1 0 323.348 -0.351 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cc(Br)n[nH]1)C(=O)[O-] ZINC001598840663 1017441776 /nfs/dbraw/zinc/44/17/76/1017441776.db2.gz JJSXCLAUAOFHTO-RXMQYKEDSA-N -1 0 320.099 -0.082 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)CCc1ocnc1C(=O)[O-] ZINC001598841030 1017442262 /nfs/dbraw/zinc/44/22/62/1017442262.db2.gz WGACQVSRHYNBFZ-SSDOTTSWSA-N -1 0 300.267 -0.654 20 0 DBADRM COC(=O)C[C@@H](CNC(=O)NCCOCC(=O)[O-])C1CC1 ZINC001598837329 1017442407 /nfs/dbraw/zinc/44/24/07/1017442407.db2.gz DCLLVANDIYLWFK-JTQLQIEISA-N -1 0 302.327 -0.024 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cncc(-n2ccnn2)c1)C(=O)[O-] ZINC001598838627 1017442452 /nfs/dbraw/zinc/44/24/52/1017442452.db2.gz DLBSRNAASHUISM-SNVBAGLBSA-N -1 0 319.277 -0.592 20 0 DBADRM COC(=O)C[C@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001598839827 1017442505 /nfs/dbraw/zinc/44/25/05/1017442505.db2.gz CHVQHRSSKVCVME-ZETCQYMHSA-N -1 0 321.307 -0.511 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cc(Br)n[nH]1)C(=O)[O-] ZINC001598840665 1017442599 /nfs/dbraw/zinc/44/25/99/1017442599.db2.gz JJSXCLAUAOFHTO-YFKPBYRVSA-N -1 0 320.099 -0.082 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC001598841809 1017442634 /nfs/dbraw/zinc/44/26/34/1017442634.db2.gz WJYMSAUJUXKKQB-QMMMGPOBSA-N -1 0 323.261 -0.841 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CNc1ccccc1C(N)=O)C(=O)[O-] ZINC001598837518 1017442654 /nfs/dbraw/zinc/44/26/54/1017442654.db2.gz PCWLGTHWVKPQQD-SNVBAGLBSA-N -1 0 323.305 -0.670 20 0 DBADRM COC(=O)C[C@@H](O)CNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001598840290 1017442697 /nfs/dbraw/zinc/44/26/97/1017442697.db2.gz FRKQCCSHUJLFAH-MRVPVSSYSA-N -1 0 317.319 -0.413 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cccc(NC(N)=O)c1)C(=O)[O-] ZINC001598838840 1017442728 /nfs/dbraw/zinc/44/27/28/1017442728.db2.gz QAEKIBBJZLCKJB-SECBINFHSA-N -1 0 309.278 -0.077 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cc2c(cc1O)OCO2)C(=O)[O-] ZINC001598837668 1017442770 /nfs/dbraw/zinc/44/27/70/1017442770.db2.gz FPOHCNDGSCAXHO-SSDOTTSWSA-N -1 0 311.246 -0.133 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cc(C(=O)OC)ccn1)C(=O)[O-] ZINC001598840724 1017442937 /nfs/dbraw/zinc/44/29/37/1017442937.db2.gz KNLQVLOSHXBVAF-VIFPVBQESA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)CCC(=O)CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001598844346 1017443745 /nfs/dbraw/zinc/44/37/45/1017443745.db2.gz ISDORRPIINZNQQ-CYBMUJFWSA-N -1 0 314.294 -0.316 20 0 DBADRM COC(=O)C[C@@H]1COCCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001598844289 1017444112 /nfs/dbraw/zinc/44/41/12/1017444112.db2.gz GYFYDKIAXMTBPI-SECBINFHSA-N -1 0 321.351 -0.413 20 0 DBADRM COC(=O)C[C@H](O)CNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598842079 1017444355 /nfs/dbraw/zinc/44/43/55/1017444355.db2.gz WWKGZADRWXFIKY-LPEHRKFASA-N -1 0 323.367 -0.527 20 0 DBADRM COC(=O)C[C@H]1COCCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001598844380 1017444671 /nfs/dbraw/zinc/44/46/71/1017444671.db2.gz JXFWEKVEXOANPX-VIFPVBQESA-N -1 0 323.367 -0.309 20 0 DBADRM COC(=O)C[C@@H]1COCCN1CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001598844369 1017444694 /nfs/dbraw/zinc/44/46/94/1017444694.db2.gz JSULGMKCYWKAEE-MFKMUULPSA-N -1 0 316.354 -0.524 20 0 DBADRM COC(=O)C[C@@H]1COCCN1C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001598844291 1017444895 /nfs/dbraw/zinc/44/48/95/1017444895.db2.gz GYRDHZZKEHFGCX-SECBINFHSA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)CCC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-] ZINC001598844558 1017445182 /nfs/dbraw/zinc/44/51/82/1017445182.db2.gz PEQJSEUMVALPJB-UHFFFAOYSA-N -1 0 315.370 -0.900 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001598845428 1017445224 /nfs/dbraw/zinc/44/52/24/1017445224.db2.gz GYXIFLCMGCQJPN-MWLCHTKSSA-N -1 0 312.322 -0.503 20 0 DBADRM COC(=O)CCNC(=O)CN[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001598853271 1017447244 /nfs/dbraw/zinc/44/72/44/1017447244.db2.gz AJGROUREYUTNHV-ZDUSSCGKSA-N -1 0 310.306 -0.213 20 0 DBADRM COC(=O)CC1CC(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001598846697 1017447913 /nfs/dbraw/zinc/44/79/13/1017447913.db2.gz QJLBSGPPCSDDQY-YIYTYNFBSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)/C=C1/SCC(=O)N1C)C(=O)[O-] ZINC001598855178 1017449359 /nfs/dbraw/zinc/44/93/59/1017449359.db2.gz GIKCFOWXQMPMIF-SYNIEDPSSA-N -1 0 316.335 -0.444 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1ccc(C)nn1)C(=O)[O-] ZINC001598857476 1017450925 /nfs/dbraw/zinc/45/09/25/1017450925.db2.gz UEJXSTFRSRYGKP-MRVPVSSYSA-N -1 0 317.323 -0.530 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC001598863340 1017456535 /nfs/dbraw/zinc/45/65/35/1017456535.db2.gz IVGPCMPSQDCUCG-VIFPVBQESA-N -1 0 301.295 -0.218 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)/C=C/c1ccc(C(N)=O)o1)C(=O)[O-] ZINC001598855970 1017451006 /nfs/dbraw/zinc/45/10/06/1017451006.db2.gz PJNGRMSSKFEYDU-BSPAPZMXSA-N -1 0 324.289 -0.086 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CSc1n[nH]c(C)n1)C(=O)[O-] ZINC001598856104 1017451098 /nfs/dbraw/zinc/45/10/98/1017451098.db2.gz KCDYVVNXEZCBQV-SSDOTTSWSA-N -1 0 316.339 -0.272 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CCN(C)C(=O)C1)C(=O)[O-] ZINC001598855158 1017451204 /nfs/dbraw/zinc/45/12/04/1017451204.db2.gz FXUAWTBSAVGFHX-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CCCN(C)C1=O)C(=O)[O-] ZINC001598855187 1017451502 /nfs/dbraw/zinc/45/15/02/1017451502.db2.gz GPTFPYQQYHVDFR-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-] ZINC001598855744 1017451567 /nfs/dbraw/zinc/45/15/67/1017451567.db2.gz MMTWBYQDYXKOPP-WCBMZHEXSA-N -1 0 324.337 -0.557 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc(C)c(C(N)=O)cn1 ZINC001598860671 1017452316 /nfs/dbraw/zinc/45/23/16/1017452316.db2.gz FWTOIYSXMFIQMK-UHFFFAOYSA-N -1 0 309.278 -0.811 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)N1CCSCC1 ZINC001598861321 1017452803 /nfs/dbraw/zinc/45/28/03/1017452803.db2.gz UHVFGGZBLXWLNC-SECBINFHSA-N -1 0 304.368 -0.490 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cn1nnc2ccccc21 ZINC001598860139 1017453299 /nfs/dbraw/zinc/45/32/99/1017453299.db2.gz PHGDPAXHOCDRBD-UHFFFAOYSA-N -1 0 306.278 -0.483 20 0 DBADRM COC(=O)CN(C)C(=O)c1ccc(C(=O)N(C)CC(=O)[O-])cn1 ZINC001598859751 1017453384 /nfs/dbraw/zinc/45/33/84/1017453384.db2.gz RRPUIVOKJUKXNG-UHFFFAOYSA-N -1 0 323.305 -0.517 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)/C=C1\SCC(=O)N1C ZINC001598860882 1017453398 /nfs/dbraw/zinc/45/33/98/1017453398.db2.gz SVRLDRRTJKUXQI-OQFOIZHKSA-N -1 0 302.308 -0.881 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC001598863387 1017455268 /nfs/dbraw/zinc/45/52/68/1017455268.db2.gz LAHLTNXOXWTWBJ-SNVBAGLBSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1ccsc1C(=O)[O-] ZINC001598864279 1017455325 /nfs/dbraw/zinc/45/53/25/1017455325.db2.gz FDSRFTDUEQMXGR-UHFFFAOYSA-N -1 0 300.292 -0.535 20 0 DBADRM COC(=O)CN(CC(=O)OC)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001598862158 1017455388 /nfs/dbraw/zinc/45/53/88/1017455388.db2.gz DMWCINCTKMXWIK-VIFPVBQESA-N -1 0 301.295 -0.218 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)CC[C@@H]1CCCCO1 ZINC001598862766 1017455457 /nfs/dbraw/zinc/45/54/57/1017455457.db2.gz OZYIQHQVCDNWCP-JTQLQIEISA-N -1 0 323.367 -0.165 20 0 DBADRM COC(=O)CNC(=O)COC(=O)c1ccc(C(=O)[O-])cc1F ZINC001598864682 1017455525 /nfs/dbraw/zinc/45/55/25/1017455525.db2.gz LDSMODCDWKQLJG-UHFFFAOYSA-N -1 0 313.237 -0.030 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cc1nnnn1CC(F)(F)F ZINC001598862925 1017455724 /nfs/dbraw/zinc/45/57/24/1017455724.db2.gz UEAWUOXSZRCLPO-UHFFFAOYSA-N -1 0 311.220 -0.705 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C[C@@H](c2cncn2C)CC1=O ZINC001598863765 1017455898 /nfs/dbraw/zinc/45/58/98/1017455898.db2.gz XUAZJINHHRTQIB-JTQLQIEISA-N -1 0 324.337 -0.747 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1c1cc(CC(=O)[O-])ccn1 ZINC001598864117 1017455957 /nfs/dbraw/zinc/45/59/57/1017455957.db2.gz AWLNFXWNSFRDFN-NSHDSACASA-N -1 0 321.333 -0.033 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC001598863339 1017456044 /nfs/dbraw/zinc/45/60/44/1017456044.db2.gz IVGPCMPSQDCUCG-SECBINFHSA-N -1 0 301.295 -0.218 20 0 DBADRM COC(=O)CNC(=O)COC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001598864636 1017456402 /nfs/dbraw/zinc/45/64/02/1017456402.db2.gz KMSNOLALWPBDPB-UHFFFAOYSA-N -1 0 313.306 -0.146 20 0 DBADRM COC(=O)C[C@@H](C)OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598867753 1017457597 /nfs/dbraw/zinc/45/75/97/1017457597.db2.gz IWCYQDCJZBPYQM-RKDXNWHRSA-N -1 0 301.295 -0.196 20 0 DBADRM COC(=O)C[C@@H](OC(=O)[C@@H](OC)c1cnn(C)c1)C(=O)[O-] ZINC001598867449 1017457654 /nfs/dbraw/zinc/45/76/54/1017457654.db2.gz BNHCPRZCZAVUTG-SCZZXKLOSA-N -1 0 300.267 -0.333 20 0 DBADRM COC(=O)COc1cccc(C(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001598867300 1017457748 /nfs/dbraw/zinc/45/77/48/1017457748.db2.gz SUOXVEUDAYRNJJ-SNVBAGLBSA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)CSCCC(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001598867993 1017457942 /nfs/dbraw/zinc/45/79/42/1017457942.db2.gz HHJUCPFLJCUMJY-LBPRGKRZSA-N -1 0 305.352 -0.110 20 0 DBADRM COC(=O)CNC(=O)CN1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001598866002 1017458634 /nfs/dbraw/zinc/45/86/34/1017458634.db2.gz YYDDWAWKGFTGRP-ZNSHCXBVSA-N -1 0 314.338 -0.629 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1Cc1cc(C(=O)[O-])n(C)c1 ZINC001598865745 1017459195 /nfs/dbraw/zinc/45/91/95/1017459195.db2.gz WIBIKBRTYOBSQP-LLVKDONJSA-N -1 0 323.349 -0.023 20 0 DBADRM COC(=O)CSCCC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001598867726 1017459228 /nfs/dbraw/zinc/45/92/28/1017459228.db2.gz DWUMTIVGTJOCRH-IUCAKERBSA-N -1 0 305.352 -0.423 20 0 DBADRM COC(=O)Cc1occc1C(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001598874018 1017459895 /nfs/dbraw/zinc/45/98/95/1017459895.db2.gz LSZZBTGINDKESS-UHFFFAOYSA-N -1 0 311.290 -0.049 20 0 DBADRM COC(=O)N(C)CCN(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001598877048 1017461503 /nfs/dbraw/zinc/46/15/03/1017461503.db2.gz NIWOKQQYKSLMIB-UHFFFAOYSA-N -1 0 315.370 -0.060 20 0 DBADRM COC(=O)Cn1cc(CCN2CC(F)(F)C[C@H]2C(=O)[O-])nn1 ZINC001598876715 1017461585 /nfs/dbraw/zinc/46/15/85/1017461585.db2.gz UYAHEMLAWQGZNW-VIFPVBQESA-N -1 0 318.280 -0.212 20 0 DBADRM COC(=O)N1CC(N2C(=O)[C@@H]3C[C@@H](C(=O)[O-])CCN3C2=O)C1 ZINC001598875723 1017461785 /nfs/dbraw/zinc/46/17/85/1017461785.db2.gz KEROZRVBDLNABA-CBAPKCEASA-N -1 0 311.294 -0.436 20 0 DBADRM COC(=O)Cn1cc(CN2CCSC[C@H](C(=O)[O-])C2)nn1 ZINC001598876654 1017461901 /nfs/dbraw/zinc/46/19/01/1017461901.db2.gz UHDTUCIMSRABCU-SECBINFHSA-N -1 0 314.367 -0.299 20 0 DBADRM COC(=O)NC1CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)CC1 ZINC001598882200 1017462896 /nfs/dbraw/zinc/46/28/96/1017462896.db2.gz QJVYPEOPKVHVJB-LLVKDONJSA-N -1 0 313.354 -0.118 20 0 DBADRM COC(=O)NCC(=O)NCCCNc1ncc(C(=O)[O-])cn1 ZINC001598882826 1017463050 /nfs/dbraw/zinc/46/30/50/1017463050.db2.gz HTBTZMINWZRIPP-UHFFFAOYSA-N -1 0 311.298 -0.551 20 0 DBADRM COC(=O)N1CCCN([C@H]2CCN(CCC(=O)[O-])C2=O)CC1 ZINC001598881429 1017463237 /nfs/dbraw/zinc/46/32/37/1017463237.db2.gz BZHGMUKATOXUHC-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM COC(=O)NCCC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001598883129 1017463738 /nfs/dbraw/zinc/46/37/38/1017463738.db2.gz LEIIUJZULIAQTR-RKDXNWHRSA-N -1 0 316.310 -0.403 20 0 DBADRM COC(=O)NCCC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001598883646 1017463770 /nfs/dbraw/zinc/46/37/70/1017463770.db2.gz SQIRTQMXEBLWGQ-IUCAKERBSA-N -1 0 316.310 -0.403 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)[C@H](OC)c1cnn(C)c1 ZINC001598889147 1017464955 /nfs/dbraw/zinc/46/49/55/1017464955.db2.gz SIRLRXZTBZRMKE-PSASIEDQSA-N -1 0 300.267 -0.333 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001598885103 1017465179 /nfs/dbraw/zinc/46/51/79/1017465179.db2.gz UDFLQHNYVVMTSQ-JGVFFNPUSA-N -1 0 302.283 -0.650 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001598884238 1017465460 /nfs/dbraw/zinc/46/54/60/1017465460.db2.gz QXIDUYLOQPRJDL-RNJXMRFFSA-N -1 0 302.283 -0.937 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CSCN1C(C)=O ZINC001598890661 1017465488 /nfs/dbraw/zinc/46/54/88/1017465488.db2.gz UDYXRIGKUOHQQO-RKDXNWHRSA-N -1 0 318.351 -0.570 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001598884096 1017466184 /nfs/dbraw/zinc/46/61/84/1017466184.db2.gz IFXZLWUVTVUFFI-IUCAKERBSA-N -1 0 317.342 -0.537 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001598891096 1017466471 /nfs/dbraw/zinc/46/64/71/1017466471.db2.gz CYGYQPGRXXHJTN-KOLCDFICSA-N -1 0 313.310 -0.370 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001598884027 1017466593 /nfs/dbraw/zinc/46/65/93/1017466593.db2.gz FHANNCYDMYRYMR-YIZRAAEISA-N -1 0 316.310 -0.404 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCSCC(=O)[O-])C[C@H](C)O1 ZINC001598896723 1017468074 /nfs/dbraw/zinc/46/80/74/1017468074.db2.gz FEFDMORJDVTERJ-IUCAKERBSA-N -1 0 305.352 -0.017 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001598891360 1017468253 /nfs/dbraw/zinc/46/82/53/1017468253.db2.gz ITKSVUCUAUMIPJ-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CSc1n[nH]c(C)n1 ZINC001598892200 1017468335 /nfs/dbraw/zinc/46/83/35/1017468335.db2.gz DLADCFFGLOBKJK-SSDOTTSWSA-N -1 0 316.339 -0.272 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)C[C@@H]1CCCCO1 ZINC001598892648 1017468786 /nfs/dbraw/zinc/46/87/86/1017468786.db2.gz DPBWKBGCJHFKHS-VHSXEESVSA-N -1 0 323.367 -0.119 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCCN1C(C)=O ZINC001598892413 1017469415 /nfs/dbraw/zinc/46/94/15/1017469415.db2.gz JTRNEXUTDFSIQE-NXEZZACHSA-N -1 0 300.311 -0.480 20 0 DBADRM COC(=O)[C@@H]1CN(CN2CCO[C@@H](CC(=O)[O-])C2)C(=O)O1 ZINC001598898385 1017471059 /nfs/dbraw/zinc/47/10/59/1017471059.db2.gz AOWCZQLDDLXHGQ-IUCAKERBSA-N -1 0 302.283 -0.887 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C[C@H]1C ZINC001598901089 1017471386 /nfs/dbraw/zinc/47/13/86/1017471386.db2.gz AOEPDYYVYKJRHT-ISUQUUIWSA-N -1 0 315.322 -0.441 20 0 DBADRM COC(=O)[C@@H]1CN(CCC(=O)N(C)CC(=O)[O-])C[C@@H](C)O1 ZINC001598898962 1017471394 /nfs/dbraw/zinc/47/13/94/1017471394.db2.gz SHYFHKPJZBQTQU-ZJUUUORDSA-N -1 0 302.327 -0.818 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)NCCSCC(=O)[O-])C[C@H]1C ZINC001598901476 1017471493 /nfs/dbraw/zinc/47/14/93/1017471493.db2.gz JWOHPPZFANXPQX-NQMVMOMDSA-N -1 0 305.352 -0.113 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001598900356 1017471497 /nfs/dbraw/zinc/47/14/97/1017471497.db2.gz RVZOXFAPLITDAU-BDAKNGLRSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1(F)F ZINC001598901259 1017471626 /nfs/dbraw/zinc/47/16/26/1017471626.db2.gz CLMGGXRAGSMHHE-YWIQKCBGSA-N -1 0 307.249 -0.211 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCOCC(=O)[O-])C[C@H](C)O1 ZINC001598898074 1017472420 /nfs/dbraw/zinc/47/24/20/1017472420.db2.gz YXUDJLJIGGHTAC-IUCAKERBSA-N -1 0 304.299 -0.941 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1 ZINC001598907710 1017473642 /nfs/dbraw/zinc/47/36/42/1017473642.db2.gz ZGMOSBKMYSMLSL-AEJSXWLSSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001598908654 1017473722 /nfs/dbraw/zinc/47/37/22/1017473722.db2.gz BDKGFQHBUTVAFL-ZKCHVHJHSA-N -1 0 311.298 -0.773 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598904002 1017473759 /nfs/dbraw/zinc/47/37/59/1017473759.db2.gz WVVRPDTVLAWUNH-ZIBATOQPSA-N -1 0 307.302 -0.105 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cn2C)C1 ZINC001598907334 1017473978 /nfs/dbraw/zinc/47/39/78/1017473978.db2.gz YADGOGNLTKRMLH-OTSSQURYSA-N -1 0 316.335 -0.047 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598904589 1017474117 /nfs/dbraw/zinc/47/41/17/1017474117.db2.gz AJXUOAIZKATGJA-SGIHWFKDSA-N -1 0 312.322 -0.719 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CF)C(=O)[O-])n(C)c1 ZINC001598953953 1017480927 /nfs/dbraw/zinc/48/09/27/1017480927.db2.gz LAUVDUUKYSSKAR-SSDOTTSWSA-N -1 0 308.287 -0.487 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001598902788 1017475066 /nfs/dbraw/zinc/47/50/66/1017475066.db2.gz MKKVTYGJKSDUNQ-IWSPIJDZSA-N -1 0 309.340 -0.795 20 0 DBADRM COC(=O)[C@H]1[C@@H]2CN(C(=O)NC[C@@H]3CCO[C@@H]3C(=O)[O-])C[C@@H]21 ZINC001598902724 1017475388 /nfs/dbraw/zinc/47/53/88/1017475388.db2.gz YDEKZFUXWMAURX-DAWVFNFOSA-N -1 0 312.322 -0.464 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN(C)Cc2nncn2C)n1 ZINC001598924706 1017476608 /nfs/dbraw/zinc/47/66/08/1017476608.db2.gz JGIDNXPZBLGRHD-UHFFFAOYSA-N -1 0 308.298 -0.414 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])ccn1 ZINC001598917438 1017476728 /nfs/dbraw/zinc/47/67/28/1017476728.db2.gz JLRKBNGIZDMDTM-QWRGUYRKSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CCCS(=O)(=O)N(C)C)n1 ZINC001598925230 1017477501 /nfs/dbraw/zinc/47/75/01/1017477501.db2.gz SKRYVGOLHWJUQR-UHFFFAOYSA-N -1 0 319.339 -0.351 20 0 DBADRM COC(=O)c1c[nH]c(C(=O)[O-])c1NC(=O)C[C@H]1CCNC1=O ZINC001598916319 1017477524 /nfs/dbraw/zinc/47/75/24/1017477524.db2.gz IJORLNKTATUUSW-ZCFIWIBFSA-N -1 0 309.278 -0.036 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)no1 ZINC001598920725 1017477817 /nfs/dbraw/zinc/47/78/17/1017477817.db2.gz YSQGXISEOPASJG-VIFPVBQESA-N -1 0 308.250 -0.250 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])on1 ZINC001598920764 1017477975 /nfs/dbraw/zinc/47/79/75/1017477975.db2.gz ZMUTUJWQWFBJPJ-MRVPVSSYSA-N -1 0 308.250 -0.459 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN2CC(=O)N(C)[C@@H](C)C2)n1 ZINC001598925047 1017478411 /nfs/dbraw/zinc/47/84/11/1017478411.db2.gz PLUSHHQIKAOOFP-QMMMGPOBSA-N -1 0 310.310 -0.512 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)n[nH]1 ZINC001598952139 1017480883 /nfs/dbraw/zinc/48/08/83/1017480883.db2.gz FBHDFUKFAOXRCL-BQBZGAKWSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@](C)(C(=O)[O-])C2)on1 ZINC001598952762 1017481331 /nfs/dbraw/zinc/48/13/31/1017481331.db2.gz SBTWFVMOYCEJOA-LLVKDONJSA-N -1 0 318.307 -0.054 20 0 DBADRM COC(=O)c1ccc(C(=O)NCCn2cc(C(=O)[O-])nn2)cn1 ZINC001598960437 1017482486 /nfs/dbraw/zinc/48/24/86/1017482486.db2.gz XXMXSWTUHUCJEI-UHFFFAOYSA-N -1 0 319.277 -0.412 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN2CC[C@](O)(C(=O)[O-])C2)n1 ZINC001599000430 1017482646 /nfs/dbraw/zinc/48/26/46/1017482646.db2.gz YJNCRGWCEFJUKO-CQSZACIVSA-N -1 0 323.305 -0.672 20 0 DBADRM Cc1nc[nH]c1CC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497734540 1017483051 /nfs/dbraw/zinc/48/30/51/1017483051.db2.gz NNXSEQFPALOSND-NSCUHMNNSA-N -1 0 305.342 -0.453 20 0 DBADRM COC(=O)c1cccc(C(=O)OCC(=O)NCCC(=O)[O-])n1 ZINC001598992041 1017483114 /nfs/dbraw/zinc/48/31/14/1017483114.db2.gz FAMRAWGJPKDKCN-UHFFFAOYSA-N -1 0 310.262 -0.384 20 0 DBADRM COC(=O)c1cccc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])n1 ZINC001598991416 1017483881 /nfs/dbraw/zinc/48/38/81/1017483881.db2.gz LHBVWQBAMVBVFT-QWRGUYRKSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)NCCOCC(=O)[O-])cc1 ZINC001598977977 1017483985 /nfs/dbraw/zinc/48/39/85/1017483985.db2.gz CJOQSAJFEFRCML-UHFFFAOYSA-N -1 0 324.289 -0.371 20 0 DBADRM COC(=O)c1ccc(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)nn1 ZINC001598979331 1017484361 /nfs/dbraw/zinc/48/43/61/1017484361.db2.gz HQDUFPCFOAGLBM-YUMQZZPRSA-N -1 0 324.293 -0.438 20 0 DBADRM COC(=O)c1ccc(CC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cn1 ZINC001598972536 1017484815 /nfs/dbraw/zinc/48/48/15/1017484815.db2.gz CYIIQSFAUZQYDV-YPMHNXCESA-N -1 0 322.317 -0.153 20 0 DBADRM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)O ZINC001598970748 1017484826 /nfs/dbraw/zinc/48/48/26/1017484826.db2.gz UNIUEMAXUFFPTH-SSDOTTSWSA-N -1 0 317.319 -0.170 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)CC(=O)NCC(=O)[O-])cc1 ZINC001598987266 1017484927 /nfs/dbraw/zinc/48/49/27/1017484927.db2.gz ZZFHLBBGPUIWHZ-UHFFFAOYSA-N -1 0 315.303 -0.552 20 0 DBADRM COC(=O)c1cn(CC(=O)Nc2cccc(C(=O)[O-])c2N)nn1 ZINC001599008473 1017485821 /nfs/dbraw/zinc/48/58/21/1017485821.db2.gz LKFNCIBUNRVSJT-UHFFFAOYSA-N -1 0 319.277 -0.016 20 0 DBADRM COC(=O)c1cn([C@H]2CCCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001599005478 1017486351 /nfs/dbraw/zinc/48/63/51/1017486351.db2.gz XNYMWCYVZXJNGR-LPEHRKFASA-N -1 0 322.321 -0.051 20 0 DBADRM COC(=O)c1ccn(CCCC(=O)N2CC(O)(C(=O)[O-])C2)n1 ZINC001599003914 1017486370 /nfs/dbraw/zinc/48/63/70/1017486370.db2.gz BPBQQKIEOBEEED-UHFFFAOYSA-N -1 0 311.294 -0.892 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC001599008330 1017486394 /nfs/dbraw/zinc/48/63/94/1017486394.db2.gz XDOOJQSOXMELIK-MRVPVSSYSA-N -1 0 317.323 -0.272 20 0 DBADRM COC(=O)c1ccnc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1 ZINC001599006775 1017486761 /nfs/dbraw/zinc/48/67/61/1017486761.db2.gz XQJDYHJXPAJXML-NXEZZACHSA-N -1 0 308.290 -0.224 20 0 DBADRM COC(=O)c1cn(C2CN(c3ncc(C(=O)[O-])cn3)C2)nn1 ZINC001599006626 1017486922 /nfs/dbraw/zinc/48/69/22/1017486922.db2.gz TWPOJSAFSMCRER-UHFFFAOYSA-N -1 0 304.266 -0.386 20 0 DBADRM COC(=O)c1ccccc1NC(=O)CN1CC[C@](O)(C(=O)[O-])C1 ZINC001599003006 1017487425 /nfs/dbraw/zinc/48/74/25/1017487425.db2.gz NDZZZADFYWYCKH-OAHLLOKOSA-N -1 0 322.317 -0.067 20 0 DBADRM COC(=O)c1cn(CCOC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)nn1 ZINC001599008807 1017487587 /nfs/dbraw/zinc/48/75/87/1017487587.db2.gz XWEATDXBXJYQDN-DTWKUNHWSA-N -1 0 313.266 -0.760 20 0 DBADRM CO[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-])C1CCC1 ZINC001599024229 1017488749 /nfs/dbraw/zinc/48/87/49/1017488749.db2.gz WQTOQEVREJWNTM-JQWIXIFHSA-N -1 0 319.379 -0.098 20 0 DBADRM COC(=O)c1coc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1 ZINC001599012686 1017489171 /nfs/dbraw/zinc/48/91/71/1017489171.db2.gz JVKSDFRNIOXTPL-VIFPVBQESA-N -1 0 324.289 -0.128 20 0 DBADRM COC(=O)c1ncoc1CCC(=O)NC[C@H](O)CC(=O)[O-] ZINC001599016516 1017489620 /nfs/dbraw/zinc/48/96/20/1017489620.db2.gz AEABBLZYWMNFER-SSDOTTSWSA-N -1 0 300.267 -0.654 20 0 DBADRM COC(=O)c1cnn(CC(=O)N[C@]2(CC(=O)[O-])CCOC2)c1 ZINC001599011247 1017490243 /nfs/dbraw/zinc/49/02/43/1017490243.db2.gz LESKQDQPGGPQCQ-ZDUSSCGKSA-N -1 0 311.294 -0.580 20 0 DBADRM CO[C@@H](C(=O)NCCn1cc(C(=O)[O-])nn1)c1cnn(C)c1 ZINC001599027931 1017490405 /nfs/dbraw/zinc/49/04/05/1017490405.db2.gz GLETWAPEOUHUOV-SNVBAGLBSA-N -1 0 308.298 -0.786 20 0 DBADRM CO[C@@H](C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)c1cnn(C)c1 ZINC001599023384 1017490799 /nfs/dbraw/zinc/49/07/99/1017490799.db2.gz GYKFWFODHIBZPL-RISCZKNCSA-N -1 0 322.321 -0.060 20 0 DBADRM COC(C)(C)CNC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599032786 1017492312 /nfs/dbraw/zinc/49/23/12/1017492312.db2.gz IZTDMRCZFRTENU-SNVBAGLBSA-N -1 0 316.354 -0.788 20 0 DBADRM COC(C)(C)CN(C)C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599032246 1017492447 /nfs/dbraw/zinc/49/24/47/1017492447.db2.gz CMZPSHMZSAFAMU-JTQLQIEISA-N -1 0 316.354 -0.428 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599033540 1017492685 /nfs/dbraw/zinc/49/26/85/1017492685.db2.gz APNBFCPMQMTAKE-JTQLQIEISA-N -1 0 309.384 -0.101 20 0 DBADRM COC(C)(C)C[C@@H](C)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001599033365 1017492864 /nfs/dbraw/zinc/49/28/64/1017492864.db2.gz SJWISZNVVBLDEL-ZJUUUORDSA-N -1 0 316.354 -0.382 20 0 DBADRM CO[C@](C)(CO)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001599034385 1017493016 /nfs/dbraw/zinc/49/30/16/1017493016.db2.gz FHSHTLIYVROUPB-AWEZNQCLSA-N -1 0 310.306 -0.163 20 0 DBADRM CO[C@H](C(=O)NCCC(=O)NCCC(=O)[O-])[C@H]1CCOC1 ZINC001599028739 1017493314 /nfs/dbraw/zinc/49/33/14/1017493314.db2.gz ROCSLRVKAMDNHC-CABZTGNLSA-N -1 0 302.327 -0.865 20 0 DBADRM CO[C@H](C(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001599028241 1017493384 /nfs/dbraw/zinc/49/33/84/1017493384.db2.gz AUELWPCEPUKYHH-UTLUCORTSA-N -1 0 317.338 -0.220 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@@H](C)n1cncn1)OC ZINC001599046365 1017494761 /nfs/dbraw/zinc/49/47/61/1017494761.db2.gz FSKYNNSMRPMQPF-SECBINFHSA-N -1 0 300.315 -0.239 20 0 DBADRM CO[C@H](C)C(=O)N1CC[C@@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001599036493 1017494875 /nfs/dbraw/zinc/49/48/75/1017494875.db2.gz QQZTUNOQPBCZMF-ZJUUUORDSA-N -1 0 308.338 -0.108 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)c1cn(C)c(=O)[nH]1)OC ZINC001599046211 1017495144 /nfs/dbraw/zinc/49/51/44/1017495144.db2.gz CPALDDIEOORXMP-UHFFFAOYSA-N -1 0 301.299 -0.339 20 0 DBADRM CO[C@H](C)CS(=O)(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001599037616 1017495747 /nfs/dbraw/zinc/49/57/47/1017495747.db2.gz JQVAWOJAFPGISE-WDEREUQCSA-N -1 0 308.400 -0.168 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001599036980 1017495811 /nfs/dbraw/zinc/49/58/11/1017495811.db2.gz YSQHRXWRXWFJIE-LKFCYVNXSA-N -1 0 324.337 -0.733 20 0 DBADRM CO[C@@H](C)CC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001599038096 1017495863 /nfs/dbraw/zinc/49/58/63/1017495863.db2.gz GBMXBEZTZFUBDX-CIUDSAMLSA-N -1 0 313.310 -0.983 20 0 DBADRM CO[C@H](C)CS(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001599037576 1017495872 /nfs/dbraw/zinc/49/58/72/1017495872.db2.gz IASCOYKRFQVAOS-SNVBAGLBSA-N -1 0 308.400 -0.168 20 0 DBADRM CO[C@H](C)[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001599040412 1017496209 /nfs/dbraw/zinc/49/62/09/1017496209.db2.gz WBKKSQRONFMYSQ-IONNQARKSA-N -1 0 312.326 -0.246 20 0 DBADRM CO[C@H](CS(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)C1CC1 ZINC001599058391 1017500531 /nfs/dbraw/zinc/50/05/31/1017500531.db2.gz LHVZKPSIYITVJC-GMTAPVOTSA-N -1 0 307.368 -0.491 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001599055419 1017497917 /nfs/dbraw/zinc/49/79/17/1017497917.db2.gz FWDACEXEOXCNAO-ZNSHCXBVSA-N -1 0 307.368 -0.180 20 0 DBADRM CO[C@H](CS(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)C(C)C ZINC001599056019 1017498425 /nfs/dbraw/zinc/49/84/25/1017498425.db2.gz ATUXPCRDVZCTEM-HBNTYKKESA-N -1 0 309.384 -0.245 20 0 DBADRM CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@H](CO)C(=O)[O-] ZINC001599051511 1017498646 /nfs/dbraw/zinc/49/86/46/1017498646.db2.gz OTHYNBGSJGHIFL-RKDXNWHRSA-N -1 0 320.342 -0.522 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001599055412 1017498660 /nfs/dbraw/zinc/49/86/60/1017498660.db2.gz FWDACEXEOXCNAO-CHWFTXMASA-N -1 0 307.368 -0.180 20 0 DBADRM COC1(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CS(=O)(=O)C1 ZINC001599062892 1017499705 /nfs/dbraw/zinc/49/97/05/1017499705.db2.gz XBHQOXTYLAKTQH-SKDRFNHKSA-N -1 0 317.363 -0.344 20 0 DBADRM COC1(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)CS(=O)(=O)C1 ZINC001599062538 1017499941 /nfs/dbraw/zinc/49/99/41/1017499941.db2.gz QNANVLFNRNEISJ-RKDXNWHRSA-N -1 0 305.352 -0.488 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-])C1CC1 ZINC001599058594 1017499964 /nfs/dbraw/zinc/49/99/64/1017499964.db2.gz ZCBPRTPVVCXOIZ-NXEZZACHSA-N -1 0 323.367 -0.453 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])C(C)C ZINC001599057708 1017499995 /nfs/dbraw/zinc/49/99/95/1017499995.db2.gz IRWFJXRWGWSEMN-ZJUUUORDSA-N -1 0 322.383 -0.738 20 0 DBADRM CO[C@H](Cn1nnnc1N1CC[C@](OC)(C(=O)[O-])C1)C1CC1 ZINC001599058186 1017500438 /nfs/dbraw/zinc/50/04/38/1017500438.db2.gz HALOROAIJOKSPR-ZWNOBZJWSA-N -1 0 311.342 -0.222 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC001599058351 1017500902 /nfs/dbraw/zinc/50/09/02/1017500902.db2.gz LAZMTKTXUSVNDT-VWYCJHECSA-N -1 0 307.368 -0.083 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-])C1CC1 ZINC001599058602 1017500965 /nfs/dbraw/zinc/50/09/65/1017500965.db2.gz ZCBPRTPVVCXOIZ-VHSXEESVSA-N -1 0 323.367 -0.453 20 0 DBADRM COC(OC)C(=O)N1[C@H](C(=O)NCCC(=O)[O-])CS[C@H]1C ZINC001599059894 1017501059 /nfs/dbraw/zinc/50/10/59/1017501059.db2.gz OCSQGFZTAWEZJT-YUMQZZPRSA-N -1 0 320.367 -0.514 20 0 DBADRM COC(OC)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001599062151 1017501310 /nfs/dbraw/zinc/50/13/10/1017501310.db2.gz SJRUEKGHNHGSSS-UHFFFAOYSA-N -1 0 310.306 -0.013 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H]2CCC=CO2)C1 ZINC001599065721 1017502510 /nfs/dbraw/zinc/50/25/10/1017502510.db2.gz ITQWMYYBZNSBMJ-HZMBPMFUSA-N -1 0 312.322 -0.503 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccc(F)n2)C1 ZINC001599066435 1017502940 /nfs/dbraw/zinc/50/29/40/1017502940.db2.gz DTXHHNMLONPQLH-CYBMUJFWSA-N -1 0 311.269 -0.139 20 0 DBADRM COC1(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)CS(=O)(=O)C1 ZINC001599064981 1017503026 /nfs/dbraw/zinc/50/30/26/1017503026.db2.gz QHECHHWEEHEMJD-QMMMGPOBSA-N -1 0 307.368 -0.194 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@H]2CCC=CO2)C1 ZINC001599065724 1017503607 /nfs/dbraw/zinc/50/36/07/1017503607.db2.gz ITQWMYYBZNSBMJ-YGRLFVJLSA-N -1 0 312.322 -0.503 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H](C)c2ccccn2)C1 ZINC001599067357 1017504741 /nfs/dbraw/zinc/50/47/41/1017504741.db2.gz SIUJRKXGQURHFY-BONVTDFDSA-N -1 0 321.333 -0.039 20 0 DBADRM COC1(C(=O)Nc2ncc(C(=O)[O-])s2)CS(=O)(=O)C1 ZINC001599067499 1017504899 /nfs/dbraw/zinc/50/48/99/1017504899.db2.gz DYQAJIIEMZAADE-UHFFFAOYSA-N -1 0 306.321 -0.407 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001599068141 1017504939 /nfs/dbraw/zinc/50/49/39/1017504939.db2.gz KQPHWAZTLGJGFH-MFKMUULPSA-N -1 0 319.379 -0.097 20 0 DBADRM COC1(C(=O)Nc2cccc(C(=O)[O-])c2N)CS(=O)(=O)C1 ZINC001599068796 1017505013 /nfs/dbraw/zinc/50/50/13/1017505013.db2.gz PLBMUYZBPHUHLE-UHFFFAOYSA-N -1 0 314.319 -0.281 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001599066822 1017505276 /nfs/dbraw/zinc/50/52/76/1017505276.db2.gz ZFPIINBDUDCEKA-ZDUSSCGKSA-N -1 0 317.363 -0.487 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2ccoc2C)C1 ZINC001599066946 1017505512 /nfs/dbraw/zinc/50/55/12/1017505512.db2.gz HPQUPLPMVQMCSU-AWEZNQCLSA-N -1 0 310.306 -0.094 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H]2CCCOC2)C1 ZINC001599068558 1017505600 /nfs/dbraw/zinc/50/56/00/1017505600.db2.gz ZAEIHINPPAGZEL-IINYFYTJSA-N -1 0 314.338 -0.769 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCC(C)(C)F)C1 ZINC001599066993 1017505927 /nfs/dbraw/zinc/50/59/27/1017505927.db2.gz IOXFPPSFXGEXCM-ZDUSSCGKSA-N -1 0 304.318 -0.057 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CS(=O)(=O)CC(C)C)C1 ZINC001599071181 1017506720 /nfs/dbraw/zinc/50/67/20/1017506720.db2.gz RREOBXFQWMYHCZ-GFCCVEGCSA-N -1 0 307.368 -0.241 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cnn(C)c2C)C1 ZINC001599070181 1017506842 /nfs/dbraw/zinc/50/68/42/1017506842.db2.gz SRRFFMJPFOIJEH-ZDUSSCGKSA-N -1 0 310.310 -0.631 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001599070334 1017507172 /nfs/dbraw/zinc/50/71/72/1017507172.db2.gz LGJLXIQVLCTLLJ-YGRLFVJLSA-N -1 0 313.354 -0.119 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NC2CN(c3ccncn3)C2)C1 ZINC001599072668 1017507353 /nfs/dbraw/zinc/50/73/53/1017507353.db2.gz OUVTYGJINBNXRP-CQSZACIVSA-N -1 0 321.337 -0.450 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N(C)C2CCOCC2)C1 ZINC001599078825 1017509281 /nfs/dbraw/zinc/50/92/81/1017509281.db2.gz MWKRCMOTKNTRHU-LBPRGKRZSA-N -1 0 322.383 -0.483 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnc(-c3nnn(C)c3C)n2C)C1 ZINC001599076504 1017509473 /nfs/dbraw/zinc/50/94/73/1017509473.db2.gz BUCRLJLTVMMOEN-ZDUSSCGKSA-N -1 0 321.341 -0.401 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2C[C@]2(C)CCOC2)C1 ZINC001599080487 1017509611 /nfs/dbraw/zinc/50/96/11/1017509611.db2.gz KZSHKROKZROEOE-QWHCGFSZSA-N -1 0 311.342 -0.220 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnnn2CCOCC2CC2)C1 ZINC001599081028 1017511005 /nfs/dbraw/zinc/51/10/05/1017511005.db2.gz OVEWWOZOOBOGLJ-ZDUSSCGKSA-N -1 0 311.342 -0.220 20 0 DBADRM CO[C@]1(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CCOC1 ZINC001599088618 1017512224 /nfs/dbraw/zinc/51/22/24/1017512224.db2.gz DXBDQRIFMVLCHF-YGRLFVJLSA-N -1 0 314.338 -0.769 20 0 DBADRM COC1(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCOCC1 ZINC001599092102 1017512690 /nfs/dbraw/zinc/51/26/90/1017512690.db2.gz AQMWPGWLHXPFRX-MGCOHNPYSA-N -1 0 307.368 -0.035 20 0 DBADRM COC1(C(F)(F)F)CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001599086357 1017512746 /nfs/dbraw/zinc/51/27/46/1017512746.db2.gz GRCNMDKAJAXVBJ-LJGSYFOKSA-N -1 0 324.255 -0.245 20 0 DBADRM COC1CC(C(=O)NC2(CC(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001599093395 1017512805 /nfs/dbraw/zinc/51/28/05/1017512805.db2.gz ATLITSGREUGOCR-UHFFFAOYSA-N -1 0 319.379 -0.050 20 0 DBADRM CO[C@]1(CNC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CCOC1 ZINC001599088613 1017513242 /nfs/dbraw/zinc/51/32/42/1017513242.db2.gz DSUOSSZVSIUVOC-KWBADKCTSA-N -1 0 302.327 -0.325 20 0 DBADRM CO[C@@]1(CO)CCCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001599091987 1017513731 /nfs/dbraw/zinc/51/37/31/1017513731.db2.gz WENPRZUBJXGYIW-ZDUSSCGKSA-N -1 0 312.326 -0.027 20 0 DBADRM CO[C@]1(CNC(=O)COCc2ocnc2C(=O)[O-])CCOC1 ZINC001599088521 1017513805 /nfs/dbraw/zinc/51/38/05/1017513805.db2.gz BXPUUYBFONDZSP-ZDUSSCGKSA-N -1 0 314.294 -0.189 20 0 DBADRM CO[C@]1(C)CCCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001599088971 1017513840 /nfs/dbraw/zinc/51/38/40/1017513840.db2.gz ZIRXJMRHIKDHSQ-TVQRCGJNSA-N -1 0 304.318 -0.057 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)CS(C)(=O)=O)C(=O)[O-])C1 ZINC001599106140 1017515419 /nfs/dbraw/zinc/51/54/19/1017515419.db2.gz KMASLYPXCQNIQG-IQJOONFLSA-N -1 0 307.368 -0.194 20 0 DBADRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)Cn2cnc(N)n2)C(=O)[O-])C1 ZINC001599106551 1017515644 /nfs/dbraw/zinc/51/56/44/1017515644.db2.gz HUGDTOJCTNASEJ-KKZNHRDASA-N -1 0 311.342 -0.365 20 0 DBADRM CO[C@H]1CC[C@H]1N(C)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599102913 1017516106 /nfs/dbraw/zinc/51/61/06/1017516106.db2.gz CRCQBESIRADUFS-ZJUUUORDSA-N -1 0 301.343 -0.214 20 0 DBADRM COC1CCN(C(=O)C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])CC1 ZINC001599116118 1017515886 /nfs/dbraw/zinc/51/58/86/1017515886.db2.gz DTEYAECPULGKJH-ONGXEEELSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@@H]1CC[C@H]1N(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599104203 1017516465 /nfs/dbraw/zinc/51/64/65/1017516465.db2.gz MWUMWQAVFQVIHL-AXTSPUMRSA-N -1 0 301.343 -0.217 20 0 DBADRM CO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1(C)C ZINC001599095267 1017516615 /nfs/dbraw/zinc/51/66/15/1017516615.db2.gz HAZHLEDXEBNXBK-RKDXNWHRSA-N -1 0 324.337 -0.014 20 0 DBADRM CO[C@H]1CCN(C(=O)C2CCS(=O)(=O)CC2)[C@H](C(=O)[O-])C1 ZINC001599119750 1017518055 /nfs/dbraw/zinc/51/80/55/1017518055.db2.gz NVXBLHJUSPYKQY-QWRGUYRKSA-N -1 0 319.379 -0.098 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H]2CCN=C3C2=NNN3C)[C@@H](C(=O)[O-])C1 ZINC001599120491 1017518220 /nfs/dbraw/zinc/51/82/20/1017518220.db2.gz ROYXJDQDZIFDDD-OPRDCNLKSA-N -1 0 323.353 -0.699 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)[C@@H](C(=O)[O-])C1 ZINC001599118881 1017518701 /nfs/dbraw/zinc/51/87/01/1017518701.db2.gz GNLLVDMCFCGANU-IVZWLZJFSA-N -1 0 305.352 -0.488 20 0 DBADRM CO[C@@H]1CCN(C(=O)CNC(=O)N2CCCC2)[C@H](C(=O)[O-])C1 ZINC001599120195 1017518873 /nfs/dbraw/zinc/51/88/73/1017518873.db2.gz VLCBQBNNKYUXEU-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM CO[C@H]1CCN(C(=O)CCn2cnccc2=O)[C@H](C(=O)[O-])C1 ZINC001599120382 1017519131 /nfs/dbraw/zinc/51/91/31/1017519131.db2.gz VTGAGYBYEINZMU-QWRGUYRKSA-N -1 0 309.322 -0.276 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)[C@@H](C(=O)[O-])C1 ZINC001599118726 1017519197 /nfs/dbraw/zinc/51/91/97/1017519197.db2.gz DPIOHAJBKFHQPF-IVZWLZJFSA-N -1 0 324.337 -0.363 20 0 DBADRM CO[C@H]1CN(C(=O)Cn2nnnc2C(C)C)[C@](C)(C(=O)[O-])C1 ZINC001599128770 1017520291 /nfs/dbraw/zinc/52/02/91/1017520291.db2.gz AUCLGLFBHOSAIQ-RNCFNFMXSA-N -1 0 311.342 -0.113 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)c2cnnn2C)[C@@H](C(=O)[O-])C1 ZINC001599126620 1017520404 /nfs/dbraw/zinc/52/04/04/1017520404.db2.gz LFIFTBPQHSJEIS-HTQZYQBOSA-N -1 0 304.328 -0.932 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)[O-])nc2C1 ZINC001599127119 1017520497 /nfs/dbraw/zinc/52/04/97/1017520497.db2.gz FIMTYWQDBZIFGJ-SBMIAAHKSA-N -1 0 309.322 -0.184 20 0 DBADRM CO[C@@H]1CN(C(=O)C2=C3CCCN=C3NN2)[C@@](C)(C(=O)[O-])C1 ZINC001599131876 1017521503 /nfs/dbraw/zinc/52/15/03/1017521503.db2.gz DLMVOHFHUUVRJS-RMLUDKJBSA-N -1 0 308.338 -0.369 20 0 DBADRM CO[C@@H]1CN(C(=O)Cn2cc([C@@H](C)O)nn2)[C@@](C)(C(=O)[O-])C1 ZINC001599135905 1017522440 /nfs/dbraw/zinc/52/24/40/1017522440.db2.gz XRFQBPPOLFAJAG-VYUIOLGVSA-N -1 0 312.326 -0.578 20 0 DBADRM CO[C@H]1CN(C(=O)[C@@H]2CSCC(=O)N2)[C@@](C)(C(=O)[O-])C1 ZINC001599134808 1017522538 /nfs/dbraw/zinc/52/25/38/1017522538.db2.gz QEZAPBYEUHJIAV-RGNHYFCHSA-N -1 0 302.352 -0.691 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2cccnc2C(=O)[O-])CCO1 ZINC001599136677 1017522933 /nfs/dbraw/zinc/52/29/33/1017522933.db2.gz ODNFGUAEIGQJEP-SECBINFHSA-N -1 0 302.308 -0.227 20 0 DBADRM CO[C@@H]1CN(C(=O)Cc2nnc(N)s2)[C@@](C)(C(=O)[O-])C1 ZINC001599135206 1017523352 /nfs/dbraw/zinc/52/33/52/1017523352.db2.gz RTNUNQFZQUZKMV-UPONEAKYSA-N -1 0 300.340 -0.247 20 0 DBADRM CO[C@H]1COCC[C@H]1CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001599136943 1017523433 /nfs/dbraw/zinc/52/34/33/1017523433.db2.gz ASWCFPIHGMDHSU-WCQGTBRESA-N -1 0 311.338 -0.037 20 0 DBADRM CO[C@@H]1CN(C(=O)Cc2nnc(N)s2)[C@](C)(C(=O)[O-])C1 ZINC001599135204 1017523840 /nfs/dbraw/zinc/52/38/40/1017523840.db2.gz RTNUNQFZQUZKMV-KGFZYKRKSA-N -1 0 300.340 -0.247 20 0 DBADRM COCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001599138835 1017525578 /nfs/dbraw/zinc/52/55/78/1017525578.db2.gz CMLKJNZHQSVEQX-KXNHARMFSA-N -1 0 310.350 -0.055 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cncc(C(=O)[O-])c1 ZINC001599137641 1017525755 /nfs/dbraw/zinc/52/57/55/1017525755.db2.gz DDRICJQLQQAVDJ-NXEZZACHSA-N -1 0 314.319 -0.678 20 0 DBADRM COCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001599138841 1017526020 /nfs/dbraw/zinc/52/60/20/1017526020.db2.gz CMLKJNZHQSVEQX-WRWGMCAJSA-N -1 0 310.350 -0.055 20 0 DBADRM COCC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)C1 ZINC001599139593 1017526464 /nfs/dbraw/zinc/52/64/64/1017526464.db2.gz MXOGWWVVDDVOKN-MNOVXSKESA-N -1 0 310.350 -0.196 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(C(=O)[O-])n1C ZINC001599140014 1017526523 /nfs/dbraw/zinc/52/65/23/1017526523.db2.gz NAWZIPUBYCLTJE-OIBJUYFYSA-N -1 0 316.335 -0.735 20 0 DBADRM COCC(=O)NCCC(=O)NCc1ncc(C(=O)[O-])s1 ZINC001599142625 1017528036 /nfs/dbraw/zinc/52/80/36/1017528036.db2.gz FLWPZVCCPZUZRP-UHFFFAOYSA-N -1 0 301.324 -0.390 20 0 DBADRM COCC(=O)NC1(CO)CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001599142622 1017528164 /nfs/dbraw/zinc/52/81/64/1017528164.db2.gz JWBMBZMAXZLPOU-UHFFFAOYSA-N -1 0 324.337 -0.731 20 0 DBADRM COCC(=O)NCCC(=O)N(C)[C@@H](COC(C)C)C(=O)[O-] ZINC001599143334 1017528215 /nfs/dbraw/zinc/52/82/15/1017528215.db2.gz RRPLIQJEBAVPSC-JTQLQIEISA-N -1 0 304.343 -0.524 20 0 DBADRM COCC(=O)N(C)CC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001599142067 1017529155 /nfs/dbraw/zinc/52/91/55/1017529155.db2.gz XGZGQOFCENSGET-UHFFFAOYSA-N -1 0 302.327 -0.769 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001599146882 1017530345 /nfs/dbraw/zinc/53/03/45/1017530345.db2.gz ZUIVUJPFDCIYLW-GXFFZTMASA-N -1 0 302.327 -0.770 20 0 DBADRM COCC(=O)NCCC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC001599143535 1017530404 /nfs/dbraw/zinc/53/04/04/1017530404.db2.gz WIPAOLRESQUTDS-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CNC(=O)c1ccncc1 ZINC001599147073 1017530964 /nfs/dbraw/zinc/53/09/64/1017530964.db2.gz KJCCZGOAZNVTEE-AWEZNQCLSA-N -1 0 309.322 -0.193 20 0 DBADRM COC[C@@](C)(NC(=O)CNC(=O)c1cccc(O)c1)C(=O)[O-] ZINC001599153424 1017531942 /nfs/dbraw/zinc/53/19/42/1017531942.db2.gz YSVPUICIXUZVEN-CQSZACIVSA-N -1 0 310.306 -0.272 20 0 DBADRM COC[C@@](C)(N[C@H]1CCN(C2CCOCC2)C1=O)C(=O)[O-] ZINC001599154586 1017532276 /nfs/dbraw/zinc/53/22/76/1017532276.db2.gz OSOYUWRXHQNGCV-SMDDNHRTSA-N -1 0 300.355 -0.154 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001599158099 1017534992 /nfs/dbraw/zinc/53/49/92/1017534992.db2.gz AYJCYRXHIWWIPT-IVZWLZJFSA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599158056 1017534770 /nfs/dbraw/zinc/53/47/70/1017534770.db2.gz ABTSKIDAHXKRPT-KWQFWETISA-N -1 0 306.340 -0.344 20 0 DBADRM COC[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001599157518 1017535225 /nfs/dbraw/zinc/53/52/25/1017535225.db2.gz FSFTZSADMWPOEN-OPRDCNLKSA-N -1 0 308.338 -0.062 20 0 DBADRM COC[C@@H](C)[C@@H](C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001599157236 1017535497 /nfs/dbraw/zinc/53/54/97/1017535497.db2.gz BYOIEJKTHVAICQ-ORXSELOVSA-N -1 0 321.395 -0.091 20 0 DBADRM COCC(COC)S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599164989 1017536483 /nfs/dbraw/zinc/53/64/83/1017536483.db2.gz CCLUHGUPGAPXRD-SCZZXKLOSA-N -1 0 311.356 -0.849 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001599164508 1017536760 /nfs/dbraw/zinc/53/67/60/1017536760.db2.gz LUGPECRDWQYQFC-ZCFIWIBFSA-N -1 0 324.742 -0.281 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001599165313 1017537345 /nfs/dbraw/zinc/53/73/45/1017537345.db2.gz GWDWZPQLHHJQGC-LBPRGKRZSA-N -1 0 324.333 -0.234 20 0 DBADRM COC[C@H](CNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)OC ZINC001599163193 1017537502 /nfs/dbraw/zinc/53/75/02/1017537502.db2.gz AWGBHWLKLHWFAM-TVQRCGJNSA-N -1 0 315.326 -0.337 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001599164024 1017537903 /nfs/dbraw/zinc/53/79/03/1017537903.db2.gz CTVOVGJYTFIJAW-QMMMGPOBSA-N -1 0 304.324 -0.626 20 0 DBADRM COC[C@H](CS(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1)OC ZINC001599165915 1017540240 /nfs/dbraw/zinc/54/02/40/1017540240.db2.gz VPFOXOSENJRALV-KOLCDFICSA-N -1 0 311.356 -0.799 20 0 DBADRM COC[C@@H](CS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1)OC ZINC001599166057 1017539862 /nfs/dbraw/zinc/53/98/62/1017539862.db2.gz KMACMPGPDFWCOF-ZJUUUORDSA-N -1 0 311.356 -0.847 20 0 DBADRM COC[C@H](CS(=O)(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F)OC ZINC001599166101 1017540068 /nfs/dbraw/zinc/54/00/68/1017540068.db2.gz XULVJWROQFFXHM-BWZBUEFSSA-N -1 0 317.310 -0.467 20 0 DBADRM COC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001599166165 1017540143 /nfs/dbraw/zinc/54/01/43/1017540143.db2.gz KGBKEZXEPJBKMG-MRVPVSSYSA-N -1 0 314.269 -0.414 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(N)=O ZINC001599177289 1017544246 /nfs/dbraw/zinc/54/42/46/1017544246.db2.gz JFCWITBZMCKHAS-SECBINFHSA-N -1 0 302.308 -0.837 20 0 DBADRM COC[C@H](NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1)C(C)C ZINC001599169646 1017541713 /nfs/dbraw/zinc/54/17/13/1017541713.db2.gz MJVTULHFSFHBFC-OUAUKWLOSA-N -1 0 316.354 -0.526 20 0 DBADRM COC[C@H](NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C)C(=O)[O-] ZINC001599174554 1017541783 /nfs/dbraw/zinc/54/17/83/1017541783.db2.gz SIXMFPPCQFXOMW-VHSXEESVSA-N -1 0 322.383 -0.691 20 0 DBADRM COC[C@@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)C(N)=O ZINC001599171788 1017541896 /nfs/dbraw/zinc/54/18/96/1017541896.db2.gz YBJIHOUMEKAWRR-SNVBAGLBSA-N -1 0 311.294 -0.228 20 0 DBADRM COC[C@H](NC(=O)CSCC(=O)N1CCCCC1)C(=O)[O-] ZINC001599168657 1017542131 /nfs/dbraw/zinc/54/21/31/1017542131.db2.gz HAFYBZDPCQIOEK-JTQLQIEISA-N -1 0 318.395 -0.052 20 0 DBADRM COC[C@H](NS(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1)C(=O)[O-] ZINC001599177083 1017543226 /nfs/dbraw/zinc/54/32/26/1017543226.db2.gz VKJINHBQTLMAGM-KXUCPTDWSA-N -1 0 311.356 -0.943 20 0 DBADRM COC[C@@H](O)CCNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001599177788 1017543318 /nfs/dbraw/zinc/54/33/18/1017543318.db2.gz FNVSUGHRATYTSE-ZETCQYMHSA-N -1 0 316.335 -0.102 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cncc(C(=O)OC)c1)C(=O)[O-] ZINC001599177893 1017543601 /nfs/dbraw/zinc/54/36/01/1017543601.db2.gz IGXCUKNSDHGUFR-VIFPVBQESA-N -1 0 318.307 -0.754 20 0 DBADRM COC[C@H](O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001599178354 1017543737 /nfs/dbraw/zinc/54/37/37/1017543737.db2.gz PEISLUFDVVOIEM-MRVPVSSYSA-N -1 0 316.335 -0.102 20 0 DBADRM COC[C@H](O)CCNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001599177787 1017544714 /nfs/dbraw/zinc/54/47/14/1017544714.db2.gz FNVSUGHRATYTSE-SSDOTTSWSA-N -1 0 316.335 -0.102 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(N)=O ZINC001599177726 1017544765 /nfs/dbraw/zinc/54/47/65/1017544765.db2.gz QHKRZADRLUYECQ-LURJTMIESA-N -1 0 308.337 -0.775 20 0 DBADRM COC[C@@H](NC(=O)c1cnc2sc(C)cn2c1=O)C(=O)[O-] ZINC001599175830 1017545167 /nfs/dbraw/zinc/54/51/67/1017545167.db2.gz NEMQEVTVNCEDBB-MRVPVSSYSA-N -1 0 311.319 -0.106 20 0 DBADRM COC[C@@H](OC(=O)c1cn(Cc2ccccn2)nn1)C(=O)[O-] ZINC001599182208 1017545749 /nfs/dbraw/zinc/54/57/49/1017545749.db2.gz MQJAGOMLVNQBFT-LLVKDONJSA-N -1 0 306.278 -0.022 20 0 DBADRM COC[C@@H](OC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-] ZINC001599180508 1017546812 /nfs/dbraw/zinc/54/68/12/1017546812.db2.gz NCWCGIZIWPEBCK-QYNIQEEDSA-N -1 0 302.201 -0.025 20 0 DBADRM COC[C@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC001599180501 1017547373 /nfs/dbraw/zinc/54/73/73/1017547373.db2.gz MYPSTOWZWKWXEF-QMMMGPOBSA-N -1 0 314.294 -0.506 20 0 DBADRM COC[C@@H](OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)[O-] ZINC001599180653 1017547627 /nfs/dbraw/zinc/54/76/27/1017547627.db2.gz PPAPHPVJAUAREQ-AMIZOPFISA-N -1 0 314.294 -0.650 20 0 DBADRM COC[C@@]1(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CCOC1 ZINC001599183036 1017547659 /nfs/dbraw/zinc/54/76/59/1017547659.db2.gz AWDUTYRWKUKKIG-UONOGXRCSA-N -1 0 312.322 -0.129 20 0 DBADRM COC[C@@H](OC)C(=O)NCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001599182232 1017547861 /nfs/dbraw/zinc/54/78/61/1017547861.db2.gz MZRRXSTWGZKWHB-SECBINFHSA-N -1 0 312.326 -0.611 20 0 DBADRM COCC1(C(=O)NC[C@@H](C)Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001599183110 1017547875 /nfs/dbraw/zinc/54/78/75/1017547875.db2.gz BHFJVRWZKCNOQV-SECBINFHSA-N -1 0 308.338 -0.060 20 0 DBADRM COCC1(CC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CC1 ZINC001599197263 1017550254 /nfs/dbraw/zinc/55/02/54/1017550254.db2.gz NRLOPBCJCGGZPI-TVQRCGJNSA-N -1 0 319.379 -0.193 20 0 DBADRM COCC1=CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC001599202192 1017550339 /nfs/dbraw/zinc/55/03/39/1017550339.db2.gz WPWKHZYMXUAWNH-ZYHUDNBSSA-N -1 0 310.350 -0.029 20 0 DBADRM COC[C@@]1(C)CN(C(=O)C(=O)NCCCCC(=O)[O-])CCO1 ZINC001599196389 1017550752 /nfs/dbraw/zinc/55/07/52/1017550752.db2.gz OAOWTEFCQDCILF-CQSZACIVSA-N -1 0 316.354 -0.379 20 0 DBADRM COC[C@]1(CO)CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001599200886 1017550787 /nfs/dbraw/zinc/55/07/87/1017550787.db2.gz KGXFTCUFGPTEAP-OAHLLOKOSA-N -1 0 324.333 -0.596 20 0 DBADRM COCCC(=O)NCC1CC(Nc2ccnc(C(=O)[O-])n2)C1 ZINC001599206885 1017552726 /nfs/dbraw/zinc/55/27/26/1017552726.db2.gz CPXIKVPMWKBJQW-UHFFFAOYSA-N -1 0 308.338 -0.060 20 0 DBADRM COC[C@H]1CNCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001599206802 1017552877 /nfs/dbraw/zinc/55/28/77/1017552877.db2.gz GAPXEYOLLBBDML-LLVKDONJSA-N -1 0 314.363 -0.006 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C[C@@H](C)O1 ZINC001599204764 1017552900 /nfs/dbraw/zinc/55/29/00/1017552900.db2.gz CLSHQAVNKATPJO-HTQZYQBOSA-N -1 0 319.339 -0.468 20 0 DBADRM COC[C@H]1CNCCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001599207029 1017553067 /nfs/dbraw/zinc/55/30/67/1017553067.db2.gz GYRXBEVBULYVMZ-SECBINFHSA-N -1 0 304.324 -0.413 20 0 DBADRM COCCC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1OC ZINC001599207267 1017553537 /nfs/dbraw/zinc/55/35/37/1017553537.db2.gz JVTJJWOMGYENFE-NXEZZACHSA-N -1 0 324.337 -0.469 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)NCCCCC(=O)[O-])C[C@H](C)O1 ZINC001599206369 1017553908 /nfs/dbraw/zinc/55/39/08/1017553908.db2.gz IPTVHJCVHFZNIJ-WDEREUQCSA-N -1 0 316.354 -0.380 20 0 DBADRM COC[C@@H]1CN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C[C@@H](C)O1 ZINC001599205951 1017554266 /nfs/dbraw/zinc/55/42/66/1017554266.db2.gz VJMDLFVUDVKJNE-MNOVXSKESA-N -1 0 324.333 -0.191 20 0 DBADRM COCC[C@@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC001599214894 1017554970 /nfs/dbraw/zinc/55/49/70/1017554970.db2.gz NNGSLALABPAIPW-BBBLOLIVSA-N -1 0 302.327 -0.595 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001599211772 1017555410 /nfs/dbraw/zinc/55/54/10/1017555410.db2.gz JYNWYEDRPCROIZ-NSHDSACASA-N -1 0 308.400 -0.167 20 0 DBADRM COCC[C@H](NC(=O)Nc1cccc(CC(=O)[O-])n1)C(N)=O ZINC001599211473 1017555822 /nfs/dbraw/zinc/55/58/22/1017555822.db2.gz DYDZGURGWDINON-VIFPVBQESA-N -1 0 310.310 -0.279 20 0 DBADRM COC/C=C\C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001599208369 1017556280 /nfs/dbraw/zinc/55/62/80/1017556280.db2.gz OTEQKNDTULNIPD-IHWYPQMZSA-N -1 0 305.352 -0.273 20 0 DBADRM COCC[C@@H]1COCCN1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599221112 1017556902 /nfs/dbraw/zinc/55/69/02/1017556902.db2.gz JZZPRQOKMTXFHX-IJLUTSLNSA-N -1 0 316.354 -0.077 20 0 DBADRM COCC[C@H](NC(=O)c1coc(S(C)(=O)=O)c1)C(=O)[O-] ZINC001599218830 1017557117 /nfs/dbraw/zinc/55/71/17/1017557117.db2.gz SSLLKEONRPBOIF-QMMMGPOBSA-N -1 0 305.308 -0.097 20 0 DBADRM COCC[C@H](NC(=O)C1=C(C)OCCS1(=O)=O)C(=O)[O-] ZINC001599215384 1017557296 /nfs/dbraw/zinc/55/72/96/1017557296.db2.gz LLYBXNOHECDEAM-QMMMGPOBSA-N -1 0 307.324 -0.731 20 0 DBADRM COCC[C@H](NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])C(N)=O ZINC001599217264 1017557614 /nfs/dbraw/zinc/55/76/14/1017557614.db2.gz CTRMAXWMOIRFIJ-GUBZILKMSA-N -1 0 322.383 -0.560 20 0 DBADRM COCC[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)C(N)=O ZINC001599217136 1017557835 /nfs/dbraw/zinc/55/78/35/1017557835.db2.gz HGYSZCRYMPPJHD-LLVKDONJSA-N -1 0 310.306 -0.230 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(N)=O ZINC001599216790 1017558793 /nfs/dbraw/zinc/55/87/93/1017558793.db2.gz NCMYUHJLISEZBD-YFKPBYRVSA-N -1 0 323.352 -0.990 20 0 DBADRM COCC[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)C(N)=O ZINC001599218653 1017558822 /nfs/dbraw/zinc/55/88/22/1017558822.db2.gz KBCTZJANTIHVHS-SECBINFHSA-N -1 0 322.383 -0.559 20 0 DBADRM COCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001599227589 1017559859 /nfs/dbraw/zinc/55/98/59/1017559859.db2.gz WQNAEEHXPHJCAX-SECBINFHSA-N -1 0 308.356 -0.982 20 0 DBADRM COCCCCCNC(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001599222086 1017560112 /nfs/dbraw/zinc/56/01/12/1017560112.db2.gz AXKAQNIOZVWDLB-AWEZNQCLSA-N -1 0 316.354 -0.379 20 0 DBADRM COCCCC(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O ZINC001599224491 1017560861 /nfs/dbraw/zinc/56/08/61/1017560861.db2.gz SFSMNLDZMMSMAE-MNOVXSKESA-N -1 0 324.337 -0.733 20 0 DBADRM COCCCS(=O)(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599227798 1017561145 /nfs/dbraw/zinc/56/11/45/1017561145.db2.gz ZJRFROVYBGOPPM-VIFPVBQESA-N -1 0 318.355 -0.411 20 0 DBADRM COCCCN(CCO)C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001599221984 1017561284 /nfs/dbraw/zinc/56/12/84/1017561284.db2.gz KFGCJOYDNSCLEW-UHFFFAOYSA-N -1 0 300.315 -0.019 20 0 DBADRM COCCCN1CC(CCO)(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599222649 1017561346 /nfs/dbraw/zinc/56/13/46/1017561346.db2.gz BWOPLDLMKXOMMY-MNOVXSKESA-N -1 0 300.355 -0.703 20 0 DBADRM COCCCN(C)C(=O)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001599222042 1017561531 /nfs/dbraw/zinc/56/15/31/1017561531.db2.gz GXGBLEDJFIGGIP-SNVBAGLBSA-N -1 0 318.395 -0.243 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cnc2n1CCCC2 ZINC001599234590 1017562511 /nfs/dbraw/zinc/56/25/11/1017562511.db2.gz RQLYXYXOTHZSCN-UHFFFAOYSA-N -1 0 317.367 -0.059 20 0 DBADRM COCCCS(=O)(=O)NCCn1cc(C(=O)[O-])nc1C ZINC001599230016 1017562731 /nfs/dbraw/zinc/56/27/31/1017562731.db2.gz MGVSAMPHQBTSDP-UHFFFAOYSA-N -1 0 305.356 -0.154 20 0 DBADRM COCCN(C)S(=O)(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001599231139 1017563528 /nfs/dbraw/zinc/56/35/28/1017563528.db2.gz LOZYPMFXZQAAMX-UHFFFAOYSA-N -1 0 306.344 -0.489 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1coc(CS(C)(=O)=O)n1 ZINC001599234279 1017564158 /nfs/dbraw/zinc/56/41/58/1017564158.db2.gz QZLQYXIVNIKJQW-UHFFFAOYSA-N -1 0 320.323 -0.608 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H](OC)C(=O)OC(C)(C)C ZINC001599233948 1017564522 /nfs/dbraw/zinc/56/45/22/1017564522.db2.gz XCLNFTJGTDWNCH-SNVBAGLBSA-N -1 0 305.327 -0.097 20 0 DBADRM COCCN(C)S(=O)(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001599231210 1017564722 /nfs/dbraw/zinc/56/47/22/1017564722.db2.gz PZDZHANZRVJIHJ-UHFFFAOYSA-N -1 0 323.396 -0.204 20 0 DBADRM COCCN(CC(F)F)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001599234861 1017566002 /nfs/dbraw/zinc/56/60/02/1017566002.db2.gz IEHZOMNYPVXQIM-QMMMGPOBSA-N -1 0 324.280 -0.962 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@H]1CCc2nnnn2CC1 ZINC001599235452 1017566151 /nfs/dbraw/zinc/56/61/51/1017566151.db2.gz QKOYINQCRMSLLO-JTQLQIEISA-N -1 0 311.342 -0.425 20 0 DBADRM COCCNC(=O)C1CCN(C(=O)COCC(=O)[O-])CC1 ZINC001599243062 1017568799 /nfs/dbraw/zinc/56/87/99/1017568799.db2.gz XLNSQAJIVLYDJQ-UHFFFAOYSA-N -1 0 302.327 -0.911 20 0 DBADRM COCCN1CCN([C@H](C(=O)[O-])C2(OC)CCC2)CC1=O ZINC001599243828 1017567796 /nfs/dbraw/zinc/56/77/96/1017567796.db2.gz YBFWURWDKPBZHR-GFCCVEGCSA-N -1 0 300.355 -0.201 20 0 DBADRM COCCN1CCN(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1=O ZINC001599241004 1017567913 /nfs/dbraw/zinc/56/79/13/1017567913.db2.gz WRYZPWUZLJWZMY-LLVKDONJSA-N -1 0 311.338 -0.340 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@]2(CC(=O)[O-])CCOC2)CC1=O ZINC001599240832 1017567957 /nfs/dbraw/zinc/56/79/57/1017567957.db2.gz RWNXXBNZHXKYCC-HZMBPMFUSA-N -1 0 314.338 -0.769 20 0 DBADRM COCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC001599243356 1017568011 /nfs/dbraw/zinc/56/80/11/1017568011.db2.gz GHVFVFBSGILRFP-NWDGAFQWSA-N -1 0 300.355 -0.154 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@@]2(CC(=O)[O-])CCOC2)CC1=O ZINC001599240834 1017569148 /nfs/dbraw/zinc/56/91/48/1017569148.db2.gz RWNXXBNZHXKYCC-QMTHXVAHSA-N -1 0 314.338 -0.769 20 0 DBADRM COCCN1CCCN(C(=O)NCC(C)(C)C(=O)[O-])CC1=O ZINC001599241030 1017569323 /nfs/dbraw/zinc/56/93/23/1017569323.db2.gz XQAPPLCWQOKKKS-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)NC1CC(C(=O)[O-])C1 ZINC001599250444 1017570545 /nfs/dbraw/zinc/57/05/45/1017570545.db2.gz WYOBERIYLUQRTH-KIDURHIOSA-N -1 0 316.354 -0.031 20 0 DBADRM COCCNc1nc(CC(=O)N[C@H](COC)C(=O)[O-])cs1 ZINC001599246364 1017570570 /nfs/dbraw/zinc/57/05/70/1017570570.db2.gz MLWWSNWAVYHPRL-SECBINFHSA-N -1 0 317.367 -0.040 20 0 DBADRM COCCOC1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC001599245948 1017570673 /nfs/dbraw/zinc/57/06/73/1017570673.db2.gz IFGNDJLKVPKIKE-UHFFFAOYSA-N -1 0 312.326 -0.370 20 0 DBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)c1cc(C(=O)[O-])on1 ZINC001599248127 1017571247 /nfs/dbraw/zinc/57/12/47/1017571247.db2.gz RCTUWBVHAWFIIA-GZMMTYOYSA-N -1 0 314.294 -0.077 20 0 DBADRM COCCOCCCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001599250289 1017571297 /nfs/dbraw/zinc/57/12/97/1017571297.db2.gz ABURFOGZYWXTID-NSHDSACASA-N -1 0 316.354 -0.521 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001599249495 1017571776 /nfs/dbraw/zinc/57/17/76/1017571776.db2.gz LKMDVVRGNCLLAA-AXFHLTTASA-N -1 0 316.354 -0.524 20 0 DBADRM COCCOCCN(CCO)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001599250564 1017571890 /nfs/dbraw/zinc/57/18/90/1017571890.db2.gz HYYXVRBWTOYROG-IJLUTSLNSA-N -1 0 319.354 -0.652 20 0 DBADRM COCCOC1CN(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])C1 ZINC001599248627 1017572282 /nfs/dbraw/zinc/57/22/82/1017572282.db2.gz CTGVLNOEQXGEOS-ONGXEEELSA-N -1 0 302.327 -0.467 20 0 DBADRM COCCOC[C@@H](C)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001599249974 1017572331 /nfs/dbraw/zinc/57/23/31/1017572331.db2.gz QPYLRDDASUHJOP-SNVBAGLBSA-N -1 0 312.322 -0.286 20 0 DBADRM COCCO[C@H]1C[C@@H](CO)CN(C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001599246366 1017572382 /nfs/dbraw/zinc/57/23/82/1017572382.db2.gz GYLFACIEVPZTSE-VWYCJHECSA-N -1 0 322.333 -0.536 20 0 DBADRM COCCOC[C@H]1CCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1 ZINC001599251050 1017573160 /nfs/dbraw/zinc/57/31/60/1017573160.db2.gz RNMRQJAWFMUTNJ-QWRGUYRKSA-N -1 0 302.327 -0.166 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC001599261803 1017573604 /nfs/dbraw/zinc/57/36/04/1017573604.db2.gz BUSAGCJIPIYZMS-LLVKDONJSA-N -1 0 316.335 -0.615 20 0 DBADRM COCCOCCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001599250673 1017573946 /nfs/dbraw/zinc/57/39/46/1017573946.db2.gz POMXTEZLPVOMCJ-WDEREUQCSA-N -1 0 316.354 -0.571 20 0 DBADRM COCCOCCNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001599251466 1017574243 /nfs/dbraw/zinc/57/42/43/1017574243.db2.gz NBXYJDVLSIIQHX-UHFFFAOYSA-N -1 0 306.340 -0.335 20 0 DBADRM COCCOCCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001599250671 1017574278 /nfs/dbraw/zinc/57/42/78/1017574278.db2.gz POMXTEZLPVOMCJ-MNOVXSKESA-N -1 0 316.354 -0.571 20 0 DBADRM COCCOCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001599250952 1017574388 /nfs/dbraw/zinc/57/43/88/1017574388.db2.gz KJBWYBXTQAKJRO-WDEREUQCSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCOCCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001599250672 1017574810 /nfs/dbraw/zinc/57/48/10/1017574810.db2.gz POMXTEZLPVOMCJ-QWRGUYRKSA-N -1 0 316.354 -0.571 20 0 DBADRM COCCS(=O)(=O)CCCn1ncc(C(=O)[O-])cc1=O ZINC001599262800 1017575619 /nfs/dbraw/zinc/57/56/19/1017575619.db2.gz PCLYQWNOIHKDKU-UHFFFAOYSA-N -1 0 304.324 -0.607 20 0 DBADRM COCCn1c(C)nnc1N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001599268134 1017575642 /nfs/dbraw/zinc/57/56/42/1017575642.db2.gz LPHLQEINRNVJNZ-ZJUUUORDSA-N -1 0 312.326 -0.457 20 0 DBADRM COCCn1c(COC)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599269127 1017575676 /nfs/dbraw/zinc/57/56/76/1017575676.db2.gz OSEXHZVLDUIHBJ-ZJUUUORDSA-N -1 0 314.342 -0.251 20 0 DBADRM COCCn1ccc(C(=O)OCCn2cc(C(=O)[O-])nn2)n1 ZINC001599270889 1017575685 /nfs/dbraw/zinc/57/56/85/1017575685.db2.gz FDRYQZSPMKVLOM-UHFFFAOYSA-N -1 0 309.282 -0.324 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC001599262530 1017575877 /nfs/dbraw/zinc/57/58/77/1017575877.db2.gz XTCQVZZTZHLMQW-ZJUUUORDSA-N -1 0 307.368 -0.241 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC001599262042 1017575899 /nfs/dbraw/zinc/57/58/99/1017575899.db2.gz GFXVQHFLXOLIFI-JOYOIKCWSA-N -1 0 323.367 -0.862 20 0 DBADRM COCCn1cc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)ccc1=O ZINC001599270104 1017576111 /nfs/dbraw/zinc/57/61/11/1017576111.db2.gz URQGRHSBBQVUSM-NWDGAFQWSA-N -1 0 324.333 -0.598 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])n1 ZINC001599271372 1017576418 /nfs/dbraw/zinc/57/64/18/1017576418.db2.gz LXWZKEKHEFHRQN-VHSXEESVSA-N -1 0 324.337 -0.163 20 0 DBADRM COCCn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1C(C)(C)O ZINC001599267888 1017576572 /nfs/dbraw/zinc/57/65/72/1017576572.db2.gz JXCPRGYGMXZUES-SECBINFHSA-N -1 0 314.342 -0.558 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001599262350 1017576677 /nfs/dbraw/zinc/57/66/77/1017576677.db2.gz MZXWAUZXOBPUJJ-ZJUUUORDSA-N -1 0 307.368 -0.383 20 0 DBADRM COCCn1c([C@H](C)O)nnc1N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001599269884 1017576726 /nfs/dbraw/zinc/57/67/26/1017576726.db2.gz IUIYSTATONWODA-KXUCPTDWSA-N -1 0 314.342 -0.344 20 0 DBADRM COCCc1cc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)n(C)n1 ZINC001599266371 1017576868 /nfs/dbraw/zinc/57/68/68/1017576868.db2.gz SODIQQIFSXJKDE-CYBMUJFWSA-N -1 0 312.326 -0.338 20 0 DBADRM COCCn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)nn1 ZINC001599271556 1017576964 /nfs/dbraw/zinc/57/69/64/1017576964.db2.gz KKXVDRZHAINSIT-LLVKDONJSA-N -1 0 305.294 -0.125 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12 ZINC001599262546 1017577143 /nfs/dbraw/zinc/57/71/43/1017577143.db2.gz YKOLVQJRBLBNHL-XWLWVQCSSA-N -1 0 319.379 -0.337 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC001599262043 1017577199 /nfs/dbraw/zinc/57/71/99/1017577199.db2.gz GFXVQHFLXOLIFI-SKDRFNHKSA-N -1 0 323.367 -0.862 20 0 DBADRM COCCn1cc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])cn1 ZINC001599272671 1017578262 /nfs/dbraw/zinc/57/82/62/1017578262.db2.gz YHIAVVCQFFYTCZ-SNVBAGLBSA-N -1 0 313.310 -0.525 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@@H](C)/C=C/C(=O)[O-])cn1 ZINC001599272753 1017578407 /nfs/dbraw/zinc/57/84/07/1017578407.db2.gz DPAYOSMNNBXWKI-NWALNABHSA-N -1 0 303.340 -0.163 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001599276612 1017578482 /nfs/dbraw/zinc/57/84/82/1017578482.db2.gz BLZUVRAYZDOADS-VHSXEESVSA-N -1 0 307.368 -0.347 20 0 DBADRM COCCn1cc(C(=O)N[C@](C)(CO)C(=O)[O-])c(=O)cc1C ZINC001599272490 1017578758 /nfs/dbraw/zinc/57/87/58/1017578758.db2.gz QNZCGQPROJUJDN-CQSZACIVSA-N -1 0 312.322 -0.631 20 0 DBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001599277785 1017580160 /nfs/dbraw/zinc/58/01/60/1017580160.db2.gz NHBZNXHZQLIZMA-VGMNWLOBSA-N -1 0 308.356 -0.998 20 0 DBADRM COC[C@H]1C[C@@H](n2nnnc2N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001599277242 1017580334 /nfs/dbraw/zinc/58/03/34/1017580334.db2.gz VAFMJFYIFDJYKZ-OUAUKWLOSA-N -1 0 311.342 -0.050 20 0 DBADRM COCc1ccccc1CNC(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001599297010 1017580518 /nfs/dbraw/zinc/58/05/18/1017580518.db2.gz CBBSIDSIHBLRLO-NSHDSACASA-N -1 0 312.297 -0.012 20 0 DBADRM COCc1nc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)no1 ZINC001599299953 1017580675 /nfs/dbraw/zinc/58/06/75/1017580675.db2.gz STUMHNAJCUTSIT-VIFPVBQESA-N -1 0 312.326 -0.163 20 0 DBADRM COC[C@H](O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001599277974 1017581381 /nfs/dbraw/zinc/58/13/81/1017581381.db2.gz YAGHFDGFOCHEHU-MRVPVSSYSA-N -1 0 314.269 -0.414 20 0 DBADRM COC[C@H](O)CNC(=O)C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001599277812 1017581692 /nfs/dbraw/zinc/58/16/92/1017581692.db2.gz SCTZAIXZKUIEIM-SSDOTTSWSA-N -1 0 316.335 -0.183 20 0 DBADRM COCc1cccc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001599297915 1017581799 /nfs/dbraw/zinc/58/17/99/1017581799.db2.gz HWXXTTCUKHRFBE-LLVKDONJSA-N -1 0 310.306 -0.277 20 0 DBADRM COC[C@@H](C)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001599277663 1017581936 /nfs/dbraw/zinc/58/19/36/1017581936.db2.gz JDZFZTSDNUFBOE-MRVPVSSYSA-N -1 0 312.326 -0.208 20 0 DBADRM COCc1ccnc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1 ZINC001599296621 1017582143 /nfs/dbraw/zinc/58/21/43/1017582143.db2.gz OGECIAOIAOEZCD-JTQLQIEISA-N -1 0 322.321 -0.115 20 0 DBADRM COCc1nc(CN2C(=O)N[C@](C)(CCC(=O)[O-])C2=O)no1 ZINC001599300912 1017583024 /nfs/dbraw/zinc/58/30/24/1017583024.db2.gz SIKKPUHZZCGNJY-GFCCVEGCSA-N -1 0 312.282 -0.109 20 0 DBADRM COCn1cc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)cn1 ZINC001599306966 1017583094 /nfs/dbraw/zinc/58/30/94/1017583094.db2.gz HSNSCOCSPWYRES-JTQLQIEISA-N -1 0 310.310 -0.251 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)CC2 ZINC001599303441 1017583751 /nfs/dbraw/zinc/58/37/51/1017583751.db2.gz WVALWKGVYUQDGR-LPEHRKFASA-N -1 0 324.337 -0.512 20 0 DBADRM COCn1ccc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)n1 ZINC001599306884 1017583888 /nfs/dbraw/zinc/58/38/88/1017583888.db2.gz FNEOKOMXADWUHI-CYBMUJFWSA-N -1 0 308.294 -0.067 20 0 DBADRM COCc1nc(NC(=O)CS(C)(=O)=O)sc1C(=O)[O-] ZINC001599302226 1017584090 /nfs/dbraw/zinc/58/40/90/1017584090.db2.gz AZHRCSGUOTYHHR-UHFFFAOYSA-N -1 0 308.337 -0.029 20 0 DBADRM COCc1n[nH]c(CNC(=O)CCc2ocnc2C(=O)[O-])n1 ZINC001599305879 1017584261 /nfs/dbraw/zinc/58/42/61/1017584261.db2.gz APSWENFDWDCKFF-UHFFFAOYSA-N -1 0 309.282 -0.114 20 0 DBADRM COCn1nccc1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001599309243 1017584347 /nfs/dbraw/zinc/58/43/47/1017584347.db2.gz WIRKLTOHZBHIEX-RKDXNWHRSA-N -1 0 303.340 -0.172 20 0 DBADRM COCc1n[nH]c(CNC(=O)Nc2nn(C)cc2C(=O)[O-])n1 ZINC001599305913 1017584663 /nfs/dbraw/zinc/58/46/63/1017584663.db2.gz BCYPEPNSTQRQTL-UHFFFAOYSA-N -1 0 309.286 -0.296 20 0 DBADRM CON(C)C(=O)[C@H](C)NS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001599315529 1017586511 /nfs/dbraw/zinc/58/65/11/1017586511.db2.gz WEGRJLNKKVQCMP-ZETCQYMHSA-N -1 0 317.323 -0.534 20 0 DBADRM CON(CC1CCOCC1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001599318118 1017586652 /nfs/dbraw/zinc/58/66/52/1017586652.db2.gz DWSHDIZJHBFFKE-UHFFFAOYSA-N -1 0 310.372 -0.072 20 0 DBADRM CON1CCC(N(C)S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1 ZINC001599317952 1017586773 /nfs/dbraw/zinc/58/67/73/1017586773.db2.gz AMYNCVZXCVFAAS-UHFFFAOYSA-N -1 0 318.355 -0.246 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001599315077 1017586936 /nfs/dbraw/zinc/58/69/36/1017586936.db2.gz LSMTZXLIWTUWIW-UHFFFAOYSA-N -1 0 309.325 -0.861 20 0 DBADRM CON(C)C(=O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001599315659 1017587347 /nfs/dbraw/zinc/58/73/47/1017587347.db2.gz HGVGNJBOGAOZBM-UHFFFAOYSA-N -1 0 323.305 -0.232 20 0 DBADRM CON1CC[C@@H](N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001599319147 1017589213 /nfs/dbraw/zinc/58/92/13/1017589213.db2.gz UDYCGSCIWGABAD-GXSJLCMTSA-N -1 0 309.326 -0.225 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599322650 1017589339 /nfs/dbraw/zinc/58/93/39/1017589339.db2.gz PGPHDUCEIIRXSM-AXTSPUMRSA-N -1 0 317.342 -0.933 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599323842 1017590004 /nfs/dbraw/zinc/59/00/04/1017590004.db2.gz FVRANCCYZOUALL-HOSYDEDBSA-N -1 0 318.351 -0.896 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001599322796 1017590076 /nfs/dbraw/zinc/59/00/76/1017590076.db2.gz UOWGNHCEWIVBBQ-DTWKUNHWSA-N -1 0 309.278 -0.752 20 0 DBADRM CO[C@@H]1CN(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C[C@H]1O ZINC001599323370 1017590165 /nfs/dbraw/zinc/59/01/65/1017590165.db2.gz OHGGABHNXIZRNW-RKDXNWHRSA-N -1 0 312.326 -0.074 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001599329441 1017590813 /nfs/dbraw/zinc/59/08/13/1017590813.db2.gz ZSAVLQPQKCPGKZ-WHFBIAKZSA-N -1 0 301.230 -0.466 20 0 DBADRM COc1cc(S(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)sn1 ZINC001599458010 1017601124 /nfs/dbraw/zinc/60/11/24/1017601124.db2.gz CAEJNALMBZLEOH-SNVBAGLBSA-N -1 0 322.364 -0.079 20 0 DBADRM CO[C@@H]1CN(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])C[C@@H]1OC ZINC001599325478 1017591383 /nfs/dbraw/zinc/59/13/83/1017591383.db2.gz FAOGBQIYHLKADJ-MMWGEVLESA-N -1 0 302.327 -0.469 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001599328383 1017592141 /nfs/dbraw/zinc/59/21/41/1017592141.db2.gz IUUYNMQYFLMIKG-LBPRGKRZSA-N -1 0 313.266 -0.788 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@H](C)CC(=O)[O-])C[C@H]21 ZINC001599324794 1017592218 /nfs/dbraw/zinc/59/22/18/1017592218.db2.gz XFESALRNPPMANV-RGOKHQFPSA-N -1 0 305.352 -0.632 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001599324469 1017592843 /nfs/dbraw/zinc/59/28/43/1017592843.db2.gz YQTHMSAIRLAXBJ-WDEREUQCSA-N -1 0 320.411 -0.721 20 0 DBADRM CO[C@H]1C[C@H](Cn2nnnc2N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001599325827 1017592984 /nfs/dbraw/zinc/59/29/84/1017592984.db2.gz GXOMEEOMKVBMIT-DBIOUOCHSA-N -1 0 311.342 -0.224 20 0 DBADRM CO[C@H]1C[C@@H](Cn2nnnc2N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001599326603 1017593092 /nfs/dbraw/zinc/59/30/92/1017593092.db2.gz LMPRGQPSRZAADP-OUAUKWLOSA-N -1 0 311.342 -0.222 20 0 DBADRM COc1cc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)ccn1 ZINC001599353969 1017594111 /nfs/dbraw/zinc/59/41/11/1017594111.db2.gz HETSNQYUUDBHEZ-UHFFFAOYSA-N -1 0 317.305 -0.158 20 0 DBADRM COc1c(NCCC(=O)N2CCOCC2)ncnc1C(=O)[O-] ZINC001599345222 1017594519 /nfs/dbraw/zinc/59/45/19/1017594519.db2.gz SORZRUWHGNFVPG-UHFFFAOYSA-N -1 0 310.310 -0.156 20 0 DBADRM COc1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])sn1 ZINC001599355159 1017595699 /nfs/dbraw/zinc/59/56/99/1017595699.db2.gz HLXRUXXGMKHUHD-WDSKDSINSA-N -1 0 301.324 -0.141 20 0 DBADRM COc1cc(CCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])on1 ZINC001599402345 1017596431 /nfs/dbraw/zinc/59/64/31/1017596431.db2.gz GIZIMJWKWHPNLH-SECBINFHSA-N -1 0 311.294 -0.583 20 0 DBADRM COc1cc(CNC(=O)N2C[C@@H](O)[C@H](CO)C2)ccc1C(=O)[O-] ZINC001599409751 1017596475 /nfs/dbraw/zinc/59/64/75/1017596475.db2.gz HWENSMJIHVBACX-CMPLNLGQSA-N -1 0 324.333 -0.112 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)nn1C ZINC001599432339 1017597083 /nfs/dbraw/zinc/59/70/83/1017597083.db2.gz XWVLIADFCAZZNB-SECBINFHSA-N -1 0 324.337 -0.016 20 0 DBADRM COc1cc(CO)ccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001599417982 1017597898 /nfs/dbraw/zinc/59/78/98/1017597898.db2.gz VMCMTRGNKMKAJZ-LLVKDONJSA-N -1 0 322.317 -0.397 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@@H](CC2CC2)C(=O)[O-])[nH]n1 ZINC001599430675 1017598294 /nfs/dbraw/zinc/59/82/94/1017598294.db2.gz GOWBXVPRUPOMDB-MRVPVSSYSA-N -1 0 310.310 -0.026 20 0 DBADRM COc1cc(C(N)=O)ccc1NC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001599390478 1017598335 /nfs/dbraw/zinc/59/83/35/1017598335.db2.gz YMBLICWSXBAQMZ-AWEZNQCLSA-N -1 0 323.305 -0.153 20 0 DBADRM COc1ccc([C@@H](NC(=O)[C@@H]2CC(=O)N2)C(=O)[O-])c(OC)c1 ZINC001599516441 1017598942 /nfs/dbraw/zinc/59/89/42/1017598942.db2.gz CYFHICIKQSOTAG-JOYOIKCWSA-N -1 0 308.290 -0.166 20 0 DBADRM COc1ccc(-n2cc(C(=O)N[C@@H](CO)C(=O)[O-])nn2)cc1 ZINC001599473487 1017599135 /nfs/dbraw/zinc/59/91/35/1017599135.db2.gz HFEDLFNYNREAEP-NSHDSACASA-N -1 0 306.278 -0.549 20 0 DBADRM COc1cc(OC)c(C(=O)N2CC(O)(C(=O)[O-])C2)cc1OC ZINC001599447454 1017599816 /nfs/dbraw/zinc/59/98/16/1017599816.db2.gz QXQGHQZSZJHGLE-UHFFFAOYSA-N -1 0 311.290 -0.016 20 0 DBADRM COc1ccc(-n2cc(C(=O)N3CC(O)(C(=O)[O-])C3)nn2)cc1 ZINC001599473639 1017601015 /nfs/dbraw/zinc/60/10/15/1017601015.db2.gz LQVOMGCEBQRZCN-UHFFFAOYSA-N -1 0 318.289 -0.453 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(Cc2oncc2C(=O)[O-])CCO1 ZINC001599748188 1017618355 /nfs/dbraw/zinc/61/83/55/1017618355.db2.gz CDWARCRFEZLSAT-MRVPVSSYSA-N -1 0 304.324 -0.382 20 0 DBADRM COc1ccc(CN2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001599561901 1017602335 /nfs/dbraw/zinc/60/23/35/1017602335.db2.gz SMDDSBLFJGDEQF-NWDGAFQWSA-N -1 0 320.349 -0.150 20 0 DBADRM COc1ccc(COCC(=O)N2CC[C@@](O)(C(=O)[O-])C2)cn1 ZINC001599575982 1017602961 /nfs/dbraw/zinc/60/29/61/1017602961.db2.gz SNAGREWVRRHBDF-AWEZNQCLSA-N -1 0 310.306 -0.345 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cn1 ZINC001599562503 1017602988 /nfs/dbraw/zinc/60/29/88/1017602988.db2.gz NPALPWRXZBPEFH-AOOOYVTPSA-N -1 0 307.306 -0.314 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N(C)CCCO)cc1C(=O)[O-] ZINC001599562959 1017602993 /nfs/dbraw/zinc/60/29/93/1017602993.db2.gz BWJWVPLWCWRMQW-UHFFFAOYSA-N -1 0 324.333 -0.150 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599750725 1017619765 /nfs/dbraw/zinc/61/97/65/1017619765.db2.gz FRZQYGGSHVSECY-JTQLQIEISA-N -1 0 322.383 -0.712 20 0 DBADRM COc1ccc([C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(=O)[O-])cc1 ZINC001599522015 1017603523 /nfs/dbraw/zinc/60/35/23/1017603523.db2.gz HNENIDSXQZISPD-ONGXEEELSA-N -1 0 321.289 -0.465 20 0 DBADRM CS(=O)(=O)CCCNC(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001599750818 1017619868 /nfs/dbraw/zinc/61/98/68/1017619868.db2.gz MGMIZJUGXQBUDK-UHFFFAOYSA-N -1 0 302.312 -0.269 20 0 DBADRM COc1cccc([C@H](O)C(=O)NCCC(=O)NCCC(=O)[O-])c1 ZINC001599658702 1017605144 /nfs/dbraw/zinc/60/51/44/1017605144.db2.gz DJULEZKVDIBCGQ-AWEZNQCLSA-N -1 0 324.333 -0.174 20 0 DBADRM COc1ccc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cn1 ZINC001599614370 1017605762 /nfs/dbraw/zinc/60/57/62/1017605762.db2.gz RZWABPLAMHJLLA-ONGXEEELSA-N -1 0 316.335 -0.311 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H]1C(=O)[O-] ZINC001599619331 1017605902 /nfs/dbraw/zinc/60/59/02/1017605902.db2.gz PPVMVCSIIOFOLV-SECBINFHSA-N -1 0 314.319 -0.358 20 0 DBADRM COc1cccc(C(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC001599642993 1017606137 /nfs/dbraw/zinc/60/61/37/1017606137.db2.gz JFUIEYCYCIARAW-PELKAZGASA-N -1 0 310.306 -0.625 20 0 DBADRM COc1cccc(-n2cc(C(=O)NCC[C@H](O)C(=O)[O-])nn2)c1 ZINC001599641284 1017606442 /nfs/dbraw/zinc/60/64/42/1017606442.db2.gz APVHQSSKYUWKHQ-LBPRGKRZSA-N -1 0 320.305 -0.159 20 0 DBADRM COc1cccc(C(=O)[O-])c1OC(=O)Cn1ncn(C)c1=O ZINC001599643657 1017606468 /nfs/dbraw/zinc/60/64/68/1017606468.db2.gz NYJATIPJUWQYSX-UHFFFAOYSA-N -1 0 307.262 -0.106 20 0 DBADRM COc1ccccc1[C@@H](N)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001599700627 1017607611 /nfs/dbraw/zinc/60/76/11/1017607611.db2.gz XIAIFXFBHBPKDW-GFCCVEGCSA-N -1 0 319.321 -0.199 20 0 DBADRM COc1ccccc1NCC(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001599713860 1017608625 /nfs/dbraw/zinc/60/86/25/1017608625.db2.gz ATJKCUTUKXADDQ-LLVKDONJSA-N -1 0 319.321 -0.032 20 0 DBADRM COc1ccccc1[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599702510 1017609149 /nfs/dbraw/zinc/60/91/49/1017609149.db2.gz YKYBWPVBJGCRNB-AUTRQRHGSA-N -1 0 324.333 -0.177 20 0 DBADRM COc1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001599678869 1017609349 /nfs/dbraw/zinc/60/93/49/1017609349.db2.gz PGPAWEVDLVBKPD-GXSJLCMTSA-N -1 0 322.317 -0.072 20 0 DBADRM COc1cncc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC001599727304 1017610446 /nfs/dbraw/zinc/61/04/46/1017610446.db2.gz SWXVZAKBVPCCJG-MRVPVSSYSA-N -1 0 324.293 -0.874 20 0 DBADRM COc1cncc(C(=O)NCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001599727048 1017610506 /nfs/dbraw/zinc/61/05/06/1017610506.db2.gz ZPNXRVVQZWTZGR-DTWKUNHWSA-N -1 0 322.321 -0.606 20 0 DBADRM COc1coc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1=O ZINC001599727459 1017610651 /nfs/dbraw/zinc/61/06/51/1017610651.db2.gz CAJKWSJACJAIHB-MRVPVSSYSA-N -1 0 324.289 -0.546 20 0 DBADRM COc1cncc(C(=O)NCCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001599726919 1017611254 /nfs/dbraw/zinc/61/12/54/1017611254.db2.gz YOJQHRFAOGSPOW-BDAKNGLRSA-N -1 0 322.321 -0.558 20 0 DBADRM COc1cccnc1CC(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001599720000 1017611282 /nfs/dbraw/zinc/61/12/82/1017611282.db2.gz ZUTULFLVFHOJFI-JTQLQIEISA-N -1 0 305.294 -0.506 20 0 DBADRM COc1cnc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)nc1 ZINC001599723631 1017611375 /nfs/dbraw/zinc/61/13/75/1017611375.db2.gz OSESOLRNMCKHEX-QMMMGPOBSA-N -1 0 318.293 -0.138 20 0 DBADRM COc1cncc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC001599727133 1017611670 /nfs/dbraw/zinc/61/16/70/1017611670.db2.gz JLSDGTARWXOJJY-CYBMUJFWSA-N -1 0 308.294 -0.253 20 0 DBADRM COc1cnc(N(C)C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)nc1 ZINC001599724493 1017612014 /nfs/dbraw/zinc/61/20/14/1017612014.db2.gz KABAURSBYMUUNW-SNVBAGLBSA-N -1 0 322.321 -0.229 20 0 DBADRM COc1ncc(CN2[C@@H](C(=O)[O-])CCS2(=O)=O)c(C)n1 ZINC001599734240 1017613515 /nfs/dbraw/zinc/61/35/15/1017613515.db2.gz IYORPLFKFWQQFS-SECBINFHSA-N -1 0 301.324 -0.218 20 0 DBADRM COc1ncc(/C=C\C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cn1 ZINC001599734811 1017613561 /nfs/dbraw/zinc/61/35/61/1017613561.db2.gz CCZKHDCMSQUQGQ-CKUGJSDZSA-N -1 0 307.306 -0.065 20 0 DBADRM COc1ncccc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001599737825 1017614045 /nfs/dbraw/zinc/61/40/45/1017614045.db2.gz UJGHDFPKLVBBQU-MRVPVSSYSA-N -1 0 302.308 -0.436 20 0 DBADRM COc1nnccc1NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001599737958 1017614261 /nfs/dbraw/zinc/61/42/61/1017614261.db2.gz AKUHMACMFQJGGA-UHFFFAOYSA-N -1 0 307.270 -0.403 20 0 DBADRM COc1nscc1S(=O)(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001599743761 1017614964 /nfs/dbraw/zinc/61/49/64/1017614964.db2.gz VNSZMFCGGYUXLO-SNVBAGLBSA-N -1 0 322.364 -0.079 20 0 DBADRM COc1nn(C)cc1CNC(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001599739379 1017616043 /nfs/dbraw/zinc/61/60/43/1017616043.db2.gz KWDFUZJJEBPQMD-ZDUSSCGKSA-N -1 0 312.326 -0.186 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCCN(C(=O)NCCOCC(=O)[O-])C1 ZINC001599744541 1017616113 /nfs/dbraw/zinc/61/61/13/1017616113.db2.gz AUXAQZGQDPRAJI-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM CS(=O)(=O)C1(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CC1 ZINC001599744410 1017616192 /nfs/dbraw/zinc/61/61/92/1017616192.db2.gz WSBHVOMQHBHJIL-MRVPVSSYSA-N -1 0 321.351 -0.714 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001599739650 1017616370 /nfs/dbraw/zinc/61/63/70/1017616370.db2.gz UIRRGXQVIJRZOW-GFCCVEGCSA-N -1 0 312.257 -0.551 20 0 DBADRM COc1ncnc(OC)c1C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001599739557 1017616603 /nfs/dbraw/zinc/61/66/03/1017616603.db2.gz ZVJAYTKUXSWSPT-MRVPVSSYSA-N -1 0 321.293 -0.357 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(c2cc(CC(=O)[O-])ccn2)CCO1 ZINC001599748460 1017617818 /nfs/dbraw/zinc/61/78/18/1017617818.db2.gz GLGWSIWYXBDKTJ-LLVKDONJSA-N -1 0 314.363 -0.042 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCCN1C(=O)NCCOCC(=O)[O-] ZINC001599748710 1017618234 /nfs/dbraw/zinc/61/82/34/1017618234.db2.gz RWBMDKWXPPRDQH-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(c2nccnc2C(=O)[O-])CCO1 ZINC001599748129 1017618295 /nfs/dbraw/zinc/61/82/95/1017618295.db2.gz BPPMYTWYGOBOIL-MRVPVSSYSA-N -1 0 301.324 -0.575 20 0 DBADRM CS(=O)(=O)C1CCC(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1 ZINC001599745664 1017618664 /nfs/dbraw/zinc/61/86/64/1017618664.db2.gz HMWNPINZOOUHMX-VGRIYTJTSA-N -1 0 319.379 -0.364 20 0 DBADRM CS(=O)(=O)CC(=O)N[C@@H](Cc1ccccc1O)C(=O)[O-] ZINC001599747102 1017618800 /nfs/dbraw/zinc/61/88/00/1017618800.db2.gz DAIZEPMSASOJJC-VIFPVBQESA-N -1 0 301.320 -0.451 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001599750375 1017620093 /nfs/dbraw/zinc/62/00/93/1017620093.db2.gz DBCODOROMWJUCL-QMMMGPOBSA-N -1 0 315.351 -0.033 20 0 DBADRM CS(=O)(=O)CCCN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001599750875 1017620357 /nfs/dbraw/zinc/62/03/57/1017620357.db2.gz PKCCASFATZSKTC-CYBMUJFWSA-N -1 0 320.411 -0.718 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)c1cncc(C(=O)[O-])c1 ZINC001599751677 1017620372 /nfs/dbraw/zinc/62/03/72/1017620372.db2.gz KHOZEJOIIRPLEJ-UHFFFAOYSA-N -1 0 316.335 -0.429 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001599751870 1017620857 /nfs/dbraw/zinc/62/08/57/1017620857.db2.gz RQLHDLZXTYEJRD-UHFFFAOYSA-N -1 0 304.324 -0.496 20 0 DBADRM CS(=O)(=O)CCCN1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599751019 1017621179 /nfs/dbraw/zinc/62/11/79/1017621179.db2.gz VYHDPTPOIKZQCI-WDEREUQCSA-N -1 0 318.395 -0.810 20 0 DBADRM CS(=O)(=O)CCNC(=S)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001599751258 1017621247 /nfs/dbraw/zinc/62/12/47/1017621247.db2.gz HLZRHJGDRHLDGW-SECBINFHSA-N -1 0 308.425 -0.004 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001599755581 1017622035 /nfs/dbraw/zinc/62/20/35/1017622035.db2.gz LGAZMDVNLADXTP-COMAGPEQSA-N -1 0 316.379 -0.220 20 0 DBADRM CS(=O)(=O)Cc1nc(C(=O)NOCCCC(=O)[O-])co1 ZINC001599753498 1017622813 /nfs/dbraw/zinc/62/28/13/1017622813.db2.gz SWOYUNSQSOXWOH-UHFFFAOYSA-N -1 0 306.296 -0.255 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N[C@H](CCF)C(=O)[O-])CC1 ZINC001599754408 1017622917 /nfs/dbraw/zinc/62/29/17/1017622917.db2.gz UDOAJWUWLDUHMU-SECBINFHSA-N -1 0 310.347 -0.413 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)c2cc(C(=O)[O-])no2)C1 ZINC001599756066 1017623275 /nfs/dbraw/zinc/62/32/75/1017623275.db2.gz ZSKBFWJIXGHIKO-ZETCQYMHSA-N -1 0 317.323 -0.616 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)NCC2(C(=O)[O-])CC2)CC1 ZINC001599756286 1017623317 /nfs/dbraw/zinc/62/33/17/1017623317.db2.gz VKUCMIVQPXGNAK-UHFFFAOYSA-N -1 0 319.383 -0.472 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=S)NCCCC(=O)[O-])C1 ZINC001599753949 1017623542 /nfs/dbraw/zinc/62/35/42/1017623542.db2.gz IHWQNGNGLWDXDH-UHFFFAOYSA-N -1 0 309.413 -0.793 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)NCC2(C(=O)[O-])CC2)C1 ZINC001599757349 1017624697 /nfs/dbraw/zinc/62/46/97/1017624697.db2.gz HJQMZWAPNYKSCG-VIFPVBQESA-N -1 0 319.383 -0.426 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599758103 1017624719 /nfs/dbraw/zinc/62/47/19/1017624719.db2.gz JCSXZBNPMHXUIK-UTINFBMNSA-N -1 0 304.368 -0.459 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(c2cnc(C(=O)[O-])cn2)C1 ZINC001599757898 1017624750 /nfs/dbraw/zinc/62/47/50/1017624750.db2.gz FMYBWGXFTIMEES-VIFPVBQESA-N -1 0 314.367 -0.060 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001599758520 1017624776 /nfs/dbraw/zinc/62/47/76/1017624776.db2.gz PMKWTUTUDCCTMI-LWINAJNOSA-N -1 0 317.367 -0.817 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599758106 1017625083 /nfs/dbraw/zinc/62/50/83/1017625083.db2.gz JDCVHLSFEBZKLT-KXUCPTDWSA-N -1 0 304.368 -0.505 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)c2ccc(C(=O)[O-])[nH]2)C1 ZINC001599757757 1017625220 /nfs/dbraw/zinc/62/52/20/1017625220.db2.gz LOCHKAXWSSLGCE-UHFFFAOYSA-N -1 0 301.324 -0.477 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(c2cc(C(=O)[O-])ncn2)C1 ZINC001599758684 1017625634 /nfs/dbraw/zinc/62/56/34/1017625634.db2.gz UREFOOYBUYXAIG-SECBINFHSA-N -1 0 314.367 -0.060 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001599758995 1017625707 /nfs/dbraw/zinc/62/57/07/1017625707.db2.gz DCHWNSKJTCYBER-MRVPVSSYSA-N -1 0 300.340 -0.450 20 0 DBADRM CS(=O)(=O)NC[C@@H]1COCCN1CC1(CC(=O)[O-])CC1 ZINC001599759585 1017626820 /nfs/dbraw/zinc/62/68/20/1017626820.db2.gz ZUZYTMUJQPBWBO-SNVBAGLBSA-N -1 0 306.384 -0.509 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001599760035 1017627116 /nfs/dbraw/zinc/62/71/16/1017627116.db2.gz BHDHPDABIKYFEF-SKDRFNHKSA-N -1 0 319.383 -0.426 20 0 DBADRM CS(=O)(=O)NCCC(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001599759487 1017627233 /nfs/dbraw/zinc/62/72/33/1017627233.db2.gz WCBDAIQDAKSTMG-UHFFFAOYSA-N -1 0 302.308 -0.032 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)/C=C/[C@H]1CCCO1)C(=O)[O-] ZINC001599763243 1017627279 /nfs/dbraw/zinc/62/72/79/1017627279.db2.gz WZEPVDSBBQEOKO-CJOUMPPPSA-N -1 0 317.363 -0.274 20 0 DBADRM CS(=O)(=O)c1ccc(/C=C\C(=O)NC[C@H](O)CC(=O)[O-])o1 ZINC001599769851 1017628933 /nfs/dbraw/zinc/62/89/33/1017628933.db2.gz DVSVZRMANYEBNE-DLRBJTRDSA-N -1 0 317.319 -0.352 20 0 DBADRM CS(=O)(=O)c1ccccc1CC(=O)NC[C@@H](O)CC(=O)[O-] ZINC001599773636 1017628983 /nfs/dbraw/zinc/62/89/83/1017628983.db2.gz ABWAQCUVGONBJI-JTQLQIEISA-N -1 0 315.347 -0.416 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N[C@@H](CF)C(=O)[O-])c(N)c1 ZINC001599767216 1017629293 /nfs/dbraw/zinc/62/92/93/1017629293.db2.gz NNGBISCBOZSWGH-VIFPVBQESA-N -1 0 304.299 -0.175 20 0 DBADRM CS(=O)(=O)c1ccccc1CC(=O)NC[C@H](O)CC(=O)[O-] ZINC001599773642 1017629452 /nfs/dbraw/zinc/62/94/52/1017629452.db2.gz ABWAQCUVGONBJI-SNVBAGLBSA-N -1 0 315.347 -0.416 20 0 DBADRM C[S@](=O)CCCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001599774703 1017629546 /nfs/dbraw/zinc/62/95/46/1017629546.db2.gz FLTQXIBSXWSFPX-YBYGRFCBSA-N -1 0 304.368 -0.806 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)cs1 ZINC001599764856 1017629755 /nfs/dbraw/zinc/62/97/55/1017629755.db2.gz BIMHSYSDOMHHRZ-DGFRNANFSA-N -1 0 319.360 -0.141 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)NC[C@@H](O)CC(=O)[O-])nc1 ZINC001599770775 1017629831 /nfs/dbraw/zinc/62/98/31/1017629831.db2.gz JMGULERILUYKOK-ZETCQYMHSA-N -1 0 317.323 -0.558 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1ncccc1O)C(=O)[O-] ZINC001599764155 1017629838 /nfs/dbraw/zinc/62/98/38/1017629838.db2.gz BERPPHUSGKTSMP-QPUJVOFHSA-N -1 0 314.319 -0.595 20 0 DBADRM C[S@](=O)CCCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001599774702 1017629912 /nfs/dbraw/zinc/62/99/12/1017629912.db2.gz FLTQXIBSXWSFPX-LXGOIASLSA-N -1 0 304.368 -0.806 20 0 DBADRM CS(=O)(=O)c1cccnc1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001599773618 1017630155 /nfs/dbraw/zinc/63/01/55/1017630155.db2.gz QQYCFRRUPLDRHE-GFCCVEGCSA-N -1 0 314.319 -0.853 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])co1 ZINC001599764554 1017630165 /nfs/dbraw/zinc/63/01/65/1017630165.db2.gz YGRPWAGMSKTZAY-WPRPVWTQSA-N -1 0 317.319 -0.267 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001599776409 1017631178 /nfs/dbraw/zinc/63/11/78/1017631178.db2.gz HPLHJJUTACACDW-NRFANRHFSA-N -1 0 313.379 -0.151 20 0 DBADRM C[S@@](=O)C1(CNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC001599775580 1017631746 /nfs/dbraw/zinc/63/17/46/1017631746.db2.gz OFYGGTGYAATVOE-XUSGNXJCSA-N -1 0 316.379 -0.663 20 0 DBADRM CS[C@H](CNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)C(C)(C)C ZINC001599785923 1017632100 /nfs/dbraw/zinc/63/21/00/1017632100.db2.gz XRHKQGQIOUTXKV-MRVPVSSYSA-N -1 0 318.395 -0.462 20 0 DBADRM C[S@](=O)CCN1CCN(Cc2cc(C(=O)[O-])no2)CC1 ZINC001599775932 1017632466 /nfs/dbraw/zinc/63/24/66/1017632466.db2.gz ATKJWFJGRVJPOP-FQEVSTJZSA-N -1 0 301.368 -0.131 20 0 DBADRM CSC1(CNC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1 ZINC001599783533 1017632586 /nfs/dbraw/zinc/63/25/86/1017632586.db2.gz LFYSIVPZTBBHMC-BDAKNGLRSA-N -1 0 316.379 -0.301 20 0 DBADRM CSC[C@@H](CCO)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001599792962 1017633376 /nfs/dbraw/zinc/63/33/76/1017633376.db2.gz SZEWMTAWXFGPKE-NXEZZACHSA-N -1 0 318.395 -0.460 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)NCc1ocnc1C(=O)[O-] ZINC001599801468 1017633645 /nfs/dbraw/zinc/63/36/45/1017633645.db2.gz IVWHVFKNLCFGNI-LURJTMIESA-N -1 0 316.339 -0.221 20 0 DBADRM CSCC[C@H](O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599796703 1017634081 /nfs/dbraw/zinc/63/40/81/1017634081.db2.gz UKXHPFMFZFXECE-JOYOIKCWSA-N -1 0 302.352 -0.068 20 0 DBADRM CSc1ccc(NC(=O)C(=O)NCCOCC(=O)[O-])cn1 ZINC001599813999 1017634209 /nfs/dbraw/zinc/63/42/09/1017634209.db2.gz HDVUCKVJUHJMNH-UHFFFAOYSA-N -1 0 313.335 -0.041 20 0 DBADRM CSC[C@H](CCO)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001599793694 1017634571 /nfs/dbraw/zinc/63/45/71/1017634571.db2.gz WSMGGXFLRRYMBM-QMMMGPOBSA-N -1 0 323.396 -0.640 20 0 DBADRM CSCC[C@H](C)NC(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599794990 1017634711 /nfs/dbraw/zinc/63/47/11/1017634711.db2.gz FXRMKOWGKHYXSG-IVZWLZJFSA-N -1 0 318.395 -0.150 20 0 DBADRM CSCc1nc(CNC(=O)NCCOCC(=O)[O-])n[nH]1 ZINC001599805195 1017634964 /nfs/dbraw/zinc/63/49/64/1017634964.db2.gz IJNAPHIOEMYPTN-UHFFFAOYSA-N -1 0 303.344 -0.432 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)CNC(=O)C1CC1 ZINC001599836186 1017636761 /nfs/dbraw/zinc/63/67/61/1017636761.db2.gz CMDNPOBWBJVVRG-QMMMGPOBSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC001599838471 1017636795 /nfs/dbraw/zinc/63/67/95/1017636795.db2.gz XBLZOOSUQQJVFZ-NXEZZACHSA-N -1 0 324.341 -0.966 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1COCCO1 ZINC001599836442 1017636868 /nfs/dbraw/zinc/63/68/68/1017636868.db2.gz LJLLNYLEUWWESK-WPRPVWTQSA-N -1 0 310.310 -0.493 20 0 DBADRM C[C@@H](CNC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])[NH+](C)C ZINC001599837061 1017636911 /nfs/dbraw/zinc/63/69/11/1017636911.db2.gz YKNJKZPFELSCCM-IVZWLZJFSA-N -1 0 301.343 -0.104 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@]1(C)CCNC1=O ZINC001599836262 1017637073 /nfs/dbraw/zinc/63/70/73/1017637073.db2.gz FRLRSDKKCAAAIU-RMLUDKJBSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H](CCNC(=O)c1ncn(C)n1)Nc1ncc(C(=O)[O-])cn1 ZINC001599835383 1017637289 /nfs/dbraw/zinc/63/72/89/1017637289.db2.gz JYMHJMMMRBBDRQ-QMMMGPOBSA-N -1 0 319.325 -0.076 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@]1(C)CCNC1=O ZINC001599836263 1017637369 /nfs/dbraw/zinc/63/73/69/1017637369.db2.gz FRLRSDKKCAAAIU-RTHLEPHNSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1cnccn1 ZINC001599836775 1017637405 /nfs/dbraw/zinc/63/74/05/1017637405.db2.gz SQEGKDOIIHCPPP-QMMMGPOBSA-N -1 0 302.294 -0.383 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)C(=O)NCC1CC1 ZINC001599836623 1017637501 /nfs/dbraw/zinc/63/75/01/1017637501.db2.gz PWZSTOLGJQDHCU-QMMMGPOBSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CNC(=O)OCC(F)(F)F)C(=O)[O-] ZINC001599843910 1017638682 /nfs/dbraw/zinc/63/86/82/1017638682.db2.gz RIUCPDVMVGGBOZ-XINAWCOVSA-N -1 0 302.205 -0.775 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12)C(=O)[O-] ZINC001599844303 1017639067 /nfs/dbraw/zinc/63/90/67/1017639067.db2.gz JULDKXUUSWSJJU-JYWQCDDESA-N -1 0 304.302 -0.153 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1)C(=O)[O-] ZINC001599843595 1017639210 /nfs/dbraw/zinc/63/92/10/1017639210.db2.gz FFUKBOCKPXJGKB-HICWGWBUSA-N -1 0 320.345 -0.215 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)Cc1c(Br)cnn1C)C(=O)[O-] ZINC001599843589 1017639324 /nfs/dbraw/zinc/63/93/24/1017639324.db2.gz KZHUTKMHSPFDEE-ANLVUFKYSA-N -1 0 320.143 -0.325 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC001599844610 1017639374 /nfs/dbraw/zinc/63/93/74/1017639374.db2.gz QXSFDDIHRCPVRH-BWBBJGPYSA-N -1 0 312.244 -0.606 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)C(=O)[O-] ZINC001599844908 1017639640 /nfs/dbraw/zinc/63/96/40/1017639640.db2.gz YJSXEVQXPBPGEL-QYNIQEEDSA-N -1 0 312.244 -0.510 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@]1(c2ccccc2)CCC(=O)NC1)C(=O)[O-] ZINC001599843594 1017639663 /nfs/dbraw/zinc/63/96/63/1017639663.db2.gz FFUKBOCKPXJGKB-AKWBHNSASA-N -1 0 320.345 -0.215 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cc(N2CCOCC2)ccn1)C(=O)[O-] ZINC001599845224 1017639716 /nfs/dbraw/zinc/63/97/16/1017639716.db2.gz LVLZNVJKVFCKAV-SKDRFNHKSA-N -1 0 309.322 -0.518 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2nnc3n2CCC3)C[C@H]1C(=O)[O-] ZINC001599849798 1017641572 /nfs/dbraw/zinc/64/15/72/1017641572.db2.gz AKWRTTYENBPLTK-RKDXNWHRSA-N -1 0 321.337 -0.980 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCCCn2ccnc2)C[C@H]1C(=O)[O-] ZINC001599850539 1017643541 /nfs/dbraw/zinc/64/35/41/1017643541.db2.gz VDPQMIXVRWBSPK-VXGBXAGGSA-N -1 0 322.365 -0.041 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCCS(N)(=O)=O)C[C@H]1CC(=O)[O-] ZINC001599860125 1017645653 /nfs/dbraw/zinc/64/56/53/1017645653.db2.gz KKGVJILMLGGWIT-NXEZZACHSA-N -1 0 321.399 -0.193 20 0 DBADRM C[C@@H]1CN(C(=O)NCCC2(O)CCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001599860117 1017645697 /nfs/dbraw/zinc/64/56/97/1017645697.db2.gz KDGLINVPUIOIIG-MNOVXSKESA-N -1 0 316.354 -0.199 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCc3nnnn3CC2)C[C@H]1C(=O)[O-] ZINC001599857060 1017646179 /nfs/dbraw/zinc/64/61/79/1017646179.db2.gz JOUJZDBAFAFYQP-OPRDCNLKSA-N -1 0 308.342 -0.260 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001599857462 1017646262 /nfs/dbraw/zinc/64/62/62/1017646262.db2.gz LCWRETHUAIKMIN-UTLUCORTSA-N -1 0 320.367 -0.553 20 0 DBADRM C[C@@H]1CN(C(=O)NCc2cnc3n2CCOC3)C[C@@H](C(=O)[O-])O1 ZINC001599858622 1017646271 /nfs/dbraw/zinc/64/62/71/1017646271.db2.gz RTEFKHCIZHXJEJ-KOLCDFICSA-N -1 0 324.337 -0.203 20 0 DBADRM C[C@@H]1CN(c2nnnn2CCC(=O)N(C)C)C[C@H]1CC(=O)[O-] ZINC001599871985 1017647536 /nfs/dbraw/zinc/64/75/36/1017647536.db2.gz QSOLSECDMCWDDD-NXEZZACHSA-N -1 0 310.358 -0.302 20 0 DBADRM C[C@@H]1CN(c2nccc(S(C)(=O)=O)n2)C[C@@H](C(=O)[O-])O1 ZINC001599869117 1017647836 /nfs/dbraw/zinc/64/78/36/1017647836.db2.gz RIBFNBQTEHZODT-SFYZADRCSA-N -1 0 301.324 -0.442 20 0 DBADRM C[C@@H]1CN(c2nnc(-c3cnccn3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599869661 1017647952 /nfs/dbraw/zinc/64/79/52/1017647952.db2.gz LNEKXSHOBGOEJX-SCZZXKLOSA-N -1 0 304.310 -0.050 20 0 DBADRM C[C@@H]1CN(c2nnc([C@]3(O)CCOC3)n2C)C[C@H]1CC(=O)[O-] ZINC001599870358 1017648579 /nfs/dbraw/zinc/64/85/79/1017648579.db2.gz PXUUJPGNGNKZFY-RULNRJAQSA-N -1 0 310.354 -0.030 20 0 DBADRM C[C@@H]1CN(c2nnc(-c3cccnn3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599869731 1017648760 /nfs/dbraw/zinc/64/87/60/1017648760.db2.gz OGENOAYBYJBPFU-SCZZXKLOSA-N -1 0 304.310 -0.050 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC[C@@]2(OCCO)CCOC2)O[C@H]1C(=O)[O-] ZINC001599874467 1017650099 /nfs/dbraw/zinc/65/00/99/1017650099.db2.gz DSCYFJINVBYMGS-BIAAXOCRSA-N -1 0 317.338 -0.851 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCCS(=O)(=O)CC2)O[C@H]1C(=O)[O-] ZINC001599874337 1017650336 /nfs/dbraw/zinc/65/03/36/1017650336.db2.gz DTBAFYUFIKMCCU-OPRDCNLKSA-N -1 0 305.352 -0.488 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCC(=O)Nc2ncc[nH]2)O[C@H]1C(=O)[O-] ZINC001599875534 1017650771 /nfs/dbraw/zinc/65/07/71/1017650771.db2.gz WBTXIINZNSSXEL-NQMVMOMDSA-N -1 0 310.310 -0.267 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC[C@H](CO)[C@@H]2CCOC2)O[C@H]1C(=O)[O-] ZINC001599874478 1017650887 /nfs/dbraw/zinc/65/08/87/1017650887.db2.gz DTJSDGXBBSCKSI-LZQZFOIKSA-N -1 0 301.339 -0.374 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCC([C@H](F)C(N)=O)CC2)O[C@H]1C(=O)[O-] ZINC001599873248 1017651098 /nfs/dbraw/zinc/65/10/98/1017651098.db2.gz HTKFIVOUAUNVJL-CZULRBLNSA-N -1 0 316.329 -0.073 20 0 DBADRM C[C@@H]1[C@H](O)CCCN1C(=O)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001599883226 1017652142 /nfs/dbraw/zinc/65/21/42/1017652142.db2.gz GUGIVYUIWIJBBI-NXEZZACHSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@@H]1[C@H](NC(=O)Nc2cc(C(=O)[O-])nn2C)CCS1(=O)=O ZINC001599882369 1017652524 /nfs/dbraw/zinc/65/25/24/1017652524.db2.gz RXIYXWDUYVXJFK-RNFRBKRXSA-N -1 0 316.339 -0.185 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001599880982 1017652905 /nfs/dbraw/zinc/65/29/05/1017652905.db2.gz NWHGDMMDOBNBNI-IQMDTDKHSA-N -1 0 320.349 -0.112 20 0 DBADRM C[C@H](CC(=O)NCC(=O)NCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001599888605 1017652955 /nfs/dbraw/zinc/65/29/55/1017652955.db2.gz RJISNLJDCAZRSH-MRVPVSSYSA-N -1 0 317.342 -0.393 20 0 DBADRM C[C@@H]1[C@H](NC(=O)CCc2ocnc2C(=O)[O-])CCS1(=O)=O ZINC001599881918 1017653243 /nfs/dbraw/zinc/65/32/43/1017653243.db2.gz GRCOBLPFKASLLM-HTQZYQBOSA-N -1 0 316.335 -0.003 20 0 DBADRM C[C@H](Cc1cn(C)nn1)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001599892236 1017654166 /nfs/dbraw/zinc/65/41/66/1017654166.db2.gz HZPNDZVKNJPANG-ZCFIWIBFSA-N -1 0 314.327 -0.854 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N(C)CCn1cccn1)C(=O)[O-] ZINC001599896277 1017654232 /nfs/dbraw/zinc/65/42/32/1017654232.db2.gz RXLVYBVJOCURHJ-UWVGGRQHSA-N -1 0 311.342 -0.498 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)c1cn[nH]c(=O)c1 ZINC001599892193 1017654476 /nfs/dbraw/zinc/65/44/76/1017654476.db2.gz YUZNGTYNGGJYTL-SSDOTTSWSA-N -1 0 318.293 -0.099 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)C[C@@H]1CCNC1=O ZINC001599892209 1017654512 /nfs/dbraw/zinc/65/45/12/1017654512.db2.gz ZMEHVDJNRHANGJ-BDAKNGLRSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])c1cncc(F)c1 ZINC001599891702 1017654703 /nfs/dbraw/zinc/65/47/03/1017654703.db2.gz UWMSWBHBTSDQFK-RCOVLWMOSA-N -1 0 301.249 -0.063 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1CCN(C)C1=O ZINC001599892181 1017655042 /nfs/dbraw/zinc/65/50/42/1017655042.db2.gz YBQGCCKYZUETHK-PSASIEDQSA-N -1 0 321.337 -0.430 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001599891745 1017655152 /nfs/dbraw/zinc/65/51/52/1017655152.db2.gz SECDDYBAPPZKNN-RKDXNWHRSA-N -1 0 321.337 -0.430 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)[O-] ZINC001599895569 1017655234 /nfs/dbraw/zinc/65/52/34/1017655234.db2.gz XULDZOTVPSSPFH-OUJBWJOFSA-N -1 0 319.361 -0.205 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCCN(C)C1=O)C(=O)[O-] ZINC001599895066 1017655287 /nfs/dbraw/zinc/65/52/87/1017655287.db2.gz FOAJCXGPGWOYGM-GUBZILKMSA-N -1 0 313.354 -0.661 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H](CO)CC1CC1)C(=O)[O-] ZINC001599895996 1017655330 /nfs/dbraw/zinc/65/53/30/1017655330.db2.gz FPWZKLZSJQMHJK-NRPADANISA-N -1 0 301.343 -0.576 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)C1=CCOCC1 ZINC001599891679 1017655390 /nfs/dbraw/zinc/65/53/90/1017655390.db2.gz QLGPTYJHTNFMFS-SECBINFHSA-N -1 0 306.322 -0.140 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCC[C@@H](O)C1CC1)C(=O)[O-] ZINC001599898641 1017656430 /nfs/dbraw/zinc/65/64/30/1017656430.db2.gz ZGISIHGBSGEVSX-OYNCUSHFSA-N -1 0 301.343 -0.576 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCO[C@H](CCF)C1)C(=O)[O-] ZINC001599896629 1017656869 /nfs/dbraw/zinc/65/68/69/1017656869.db2.gz LZVGVMCBJHBGKH-LPEHRKFASA-N -1 0 319.333 -0.266 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@@H]1CCCCO1)C(=O)[O-] ZINC001599898062 1017657079 /nfs/dbraw/zinc/65/70/79/1017657079.db2.gz SQXSDDOAUIRJTC-GUBZILKMSA-N -1 0 301.343 -0.168 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCc1ncccc1F)C(=O)[O-] ZINC001599898539 1017657155 /nfs/dbraw/zinc/65/71/55/1017657155.db2.gz YIPWCPZQHPPECI-YUMQZZPRSA-N -1 0 312.301 -0.002 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N(CC(C)(C)O)C1CC1)C(=O)[O-] ZINC001599897939 1017657245 /nfs/dbraw/zinc/65/72/45/1017657245.db2.gz QIFUNDXHTRDANA-IUCAKERBSA-N -1 0 315.370 -0.091 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N(C)[C@@H]1CCC[C@H]1O)C(=O)[O-] ZINC001599898235 1017657276 /nfs/dbraw/zinc/65/72/76/1017657276.db2.gz UDSWHVIQNPRSLY-AXTSPUMRSA-N -1 0 301.343 -0.481 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCc1ccccc1CO)C(=O)[O-] ZINC001599898021 1017657361 /nfs/dbraw/zinc/65/73/61/1017657361.db2.gz RWKFMIYJGBQPOI-UWVGGRQHSA-N -1 0 323.349 -0.044 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=S)NC[C@@H]1CCOC1)C(=O)[O-] ZINC001599899250 1017658495 /nfs/dbraw/zinc/65/84/95/1017658495.db2.gz TYLJGSGIXBHZBM-CIUDSAMLSA-N -1 0 303.384 -0.535 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H]1CC[C@@H](CO)CC1)C(=O)[O-] ZINC001599899686 1017659548 /nfs/dbraw/zinc/65/95/48/1017659548.db2.gz PSGCUFFHJLHVCY-XWLWVQCSSA-N -1 0 315.370 -0.186 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)N1CCCCC1)C(=O)[O-] ZINC001599900436 1017659636 /nfs/dbraw/zinc/65/96/36/1017659636.db2.gz QOLDAJWYGBXTOK-IUCAKERBSA-N -1 0 307.372 -0.716 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C[C@H](C)N1C ZINC001599909429 1017660762 /nfs/dbraw/zinc/66/07/62/1017660762.db2.gz QEYYSQKDMBTNRH-RWSFTLGLSA-N -1 0 311.382 -0.139 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2cn(C)cn2)CC[C@H]1C(=O)[O-] ZINC001599912195 1017662968 /nfs/dbraw/zinc/66/29/68/1017662968.db2.gz QAFKCNLZTWKZBH-GXSJLCMTSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC001599912407 1017663047 /nfs/dbraw/zinc/66/30/47/1017663047.db2.gz NILXDAINICVJTQ-DTWKUNHWSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001599916229 1017663188 /nfs/dbraw/zinc/66/31/88/1017663188.db2.gz SCPAVRHMJRYENC-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC001599912477 1017663391 /nfs/dbraw/zinc/66/33/91/1017663391.db2.gz KYPKCSIBHPESIE-AEJSXWLSSA-N -1 0 320.367 -0.889 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCc2ccn(C)n2)C[C@]1(C)C(=O)[O-] ZINC001599911846 1017663452 /nfs/dbraw/zinc/66/34/52/1017663452.db2.gz NMIQBJHSBOSGMY-BONVTDFDSA-N -1 0 322.365 -0.352 20 0 DBADRM C[C@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H](C(=O)[O-])O1 ZINC001599916624 1017663631 /nfs/dbraw/zinc/66/36/31/1017663631.db2.gz DDRYOSNFBZBXMK-VLEAKVRGSA-N -1 0 314.338 -0.500 20 0 DBADRM C[C@H]1CN(C(=O)C2(n3cnnn3)CCOCC2)C[C@]1(C)C(=O)[O-] ZINC001599914838 1017663718 /nfs/dbraw/zinc/66/37/18/1017663718.db2.gz KJHNLJCRANEMGQ-GWCFXTLKSA-N -1 0 323.353 -0.252 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C[C@@H](C(=O)[O-])O1 ZINC001599911495 1017663917 /nfs/dbraw/zinc/66/39/17/1017663917.db2.gz BFSYVILCGXSIKX-CIUDSAMLSA-N -1 0 310.310 -0.753 20 0 DBADRM C[C@H]1CN(C(=O)[C@@](C)(O)Cn2ccccc2=O)C[C@@H](C(=O)[O-])O1 ZINC001599911931 1017663806 /nfs/dbraw/zinc/66/38/06/1017663806.db2.gz JACFDRBQZUXLFK-PGUXBMHVSA-N -1 0 324.333 -0.700 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC001599911781 1017663841 /nfs/dbraw/zinc/66/38/41/1017663841.db2.gz IZNMWFGPHDLITQ-LMLFDSFASA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC[C@H]1C(=O)[O-] ZINC001599912074 1017663870 /nfs/dbraw/zinc/66/38/70/1017663870.db2.gz HSVNTGWUUMJNJY-AEJSXWLSSA-N -1 0 304.368 -0.411 20 0 DBADRM C[C@H]1CN(C(=O)NCCS(=O)(=O)N(C)C)C[C@]1(C)C(=O)[O-] ZINC001599919479 1017665465 /nfs/dbraw/zinc/66/54/65/1017665465.db2.gz GONYEAYHGUCQNE-CABZTGNLSA-N -1 0 321.399 -0.370 20 0 DBADRM C[C@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@H]1C(=O)[O-] ZINC001599926218 1017665494 /nfs/dbraw/zinc/66/54/94/1017665494.db2.gz LPHDHEHEVORDBJ-VHSXEESVSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2CC(C(N)=O)=NO2)CC[C@H]1C(=O)[O-] ZINC001599919534 1017666014 /nfs/dbraw/zinc/66/60/14/1017666014.db2.gz JXBHFSVTOMPWLZ-DJLDLDEBSA-N -1 0 312.326 -0.631 20 0 DBADRM C[C@H]1CN(c2nnc(C[C@H](O)C3CC3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599934506 1017667541 /nfs/dbraw/zinc/66/75/41/1017667541.db2.gz FZLCEARYLUUDFG-LSJOCFKGSA-N -1 0 310.354 -0.193 20 0 DBADRM C[C@H]1CN(c2nccnc2C(=O)[O-])CCN1S(C)(=O)=O ZINC001599931644 1017667891 /nfs/dbraw/zinc/66/78/91/1017667891.db2.gz FMBYBQVFSUSRLB-QMMMGPOBSA-N -1 0 300.340 -0.355 20 0 DBADRM C[C@H]1CN(c2nnc([C@H]3CCCC(=O)N3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599933737 1017668752 /nfs/dbraw/zinc/66/87/52/1017668752.db2.gz VOATVCFDUCDQIK-AEJSXWLSSA-N -1 0 323.353 -0.165 20 0 DBADRM C[C@H]1CN(c2nccc(S(C)(=O)=O)n2)C[C@@H](C(=O)[O-])O1 ZINC001599931848 1017668829 /nfs/dbraw/zinc/66/88/29/1017668829.db2.gz RIBFNBQTEHZODT-YUMQZZPRSA-N -1 0 301.324 -0.442 20 0 DBADRM C[C@H]1CN(C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001599929153 1017668834 /nfs/dbraw/zinc/66/88/34/1017668834.db2.gz WQEILGBVDYPUDO-SRVKXCTJSA-N -1 0 320.411 -0.168 20 0 DBADRM C[C@H]1CN(CN2C[C@H](c3cncn3C)CC2=O)C[C@@H](C(=O)[O-])O1 ZINC001599928817 1017668865 /nfs/dbraw/zinc/66/88/65/1017668865.db2.gz YDIYRXGRAJHJPM-LOWVWBTDSA-N -1 0 322.365 -0.133 20 0 DBADRM C[C@H]1CN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@]1(C)C(=O)[O-] ZINC001599928173 1017669103 /nfs/dbraw/zinc/66/91/03/1017669103.db2.gz WENYBMDDAORVJC-KWBADKCTSA-N -1 0 318.395 -0.668 20 0 DBADRM C[C@H]1CN(S(=O)(=O)C[C@@H]2CN(C)CCO2)CC[C@H]1C(=O)[O-] ZINC001599930658 1017669204 /nfs/dbraw/zinc/66/92/04/1017669204.db2.gz PPSLYMWWBGSYLH-SDDRHHMPSA-N -1 0 320.411 -0.311 20 0 DBADRM Cc1nc[nH]c1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C[C@H]21 ZINC001599967493 1017670788 /nfs/dbraw/zinc/67/07/88/1017670788.db2.gz GTZBXBREPBPUEV-KUNJHIDRSA-N -1 0 318.333 -0.375 20 0 DBADRM C[C@H]1OCCO[C@H]1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599936605 1017670944 /nfs/dbraw/zinc/67/09/44/1017670944.db2.gz YFIMASLURRXIEX-JFGNBEQYSA-N -1 0 324.337 -0.056 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCSCC(=O)[O-] ZINC001599941300 1017671227 /nfs/dbraw/zinc/67/12/27/1017671227.db2.gz OBRVBOQLZJEHJQ-UHFFFAOYSA-N -1 0 301.324 -0.327 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001599954823 1017671565 /nfs/dbraw/zinc/67/15/65/1017671565.db2.gz YHFGMULGQVOWKO-UHFFFAOYSA-N -1 0 322.321 -0.901 20 0 DBADRM Cc1[nH]c(C(=O)N(CCO)CCOCCO)c(C)c1C(=O)[O-] ZINC001599951773 1017671928 /nfs/dbraw/zinc/67/19/28/1017671928.db2.gz YDOFIXXFMQLSMB-UHFFFAOYSA-N -1 0 314.338 -0.227 20 0 DBADRM Cc1nc[nH]c1C(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001599967325 1017672401 /nfs/dbraw/zinc/67/24/01/1017672401.db2.gz CBTYMRAXZJJAMM-IUCAKERBSA-N -1 0 306.322 -0.183 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001599969933 1017673492 /nfs/dbraw/zinc/67/34/92/1017673492.db2.gz ZDGQFLLKCDLMRR-VIFPVBQESA-N -1 0 316.383 -0.112 20 0 DBADRM Cc1c(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])nnn1C(C)C ZINC001599977486 1017673874 /nfs/dbraw/zinc/67/38/74/1017673874.db2.gz OODFIWRJDXTFGF-JTQLQIEISA-N -1 0 323.353 -0.027 20 0 DBADRM Cc1n[nH]cc1C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599968956 1017674372 /nfs/dbraw/zinc/67/43/72/1017674372.db2.gz ZSLAJPFDUKZQMD-UWVGGRQHSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1[nH]nc2ncc(C(=O)NCCn3cc(C(=O)[O-])nn3)cc12 ZINC001599968495 1017674570 /nfs/dbraw/zinc/67/45/70/1017674570.db2.gz DRIQWFGIPVHRQT-UHFFFAOYSA-N -1 0 315.293 -0.014 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1C ZINC001599968058 1017674646 /nfs/dbraw/zinc/67/46/46/1017674646.db2.gz JBJSLXYGNZWSOH-MRVPVSSYSA-N -1 0 301.324 -0.650 20 0 DBADRM Cc1nc[nH]c1CC(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001599968052 1017674722 /nfs/dbraw/zinc/67/47/22/1017674722.db2.gz IUIRSIZBQYYULX-UHFFFAOYSA-N -1 0 304.310 -0.023 20 0 DBADRM Cc1n[nH]cc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001599968955 1017675012 /nfs/dbraw/zinc/67/50/12/1017675012.db2.gz ZSLAJPFDUKZQMD-NXEZZACHSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)NC[C@]2(O)CCOC2)n1C ZINC001599988379 1017676305 /nfs/dbraw/zinc/67/63/05/1017676305.db2.gz FHWMLWCHRGKIFT-CQSZACIVSA-N -1 0 311.338 -0.018 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)N(C)[C@@H]2COC[C@H]2O)n1C ZINC001599991189 1017676316 /nfs/dbraw/zinc/67/63/16/1017676316.db2.gz ICBFHMVBAXCMIG-VXGBXAGGSA-N -1 0 311.338 -0.067 20 0 DBADRM Cc1c(C(=O)NCC2(C(=O)[O-])CC2)nnn1-c1ccn(C)n1 ZINC001599980516 1017676606 /nfs/dbraw/zinc/67/66/06/1017676606.db2.gz VDHYXXVOGKUQFQ-UHFFFAOYSA-N -1 0 304.310 -0.096 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)c2cn(C)c(=O)[nH]c2=O)n1C ZINC001599992809 1017676976 /nfs/dbraw/zinc/67/69/76/1017676976.db2.gz KCUVVAJADYDJQG-UHFFFAOYSA-N -1 0 320.305 -0.239 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@@H](CO)C2)cnn1CC(=O)[O-] ZINC001600027246 1017677840 /nfs/dbraw/zinc/67/78/40/1017677840.db2.gz UYXMUAMJQSIRTO-SECBINFHSA-N -1 0 310.310 -0.945 20 0 DBADRM Cc1c(CCC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cnn1C ZINC001600011033 1017677982 /nfs/dbraw/zinc/67/79/82/1017677982.db2.gz FKSHGXHLNSYGHQ-LBPRGKRZSA-N -1 0 322.365 -0.147 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)cnn1C ZINC001600027307 1017678187 /nfs/dbraw/zinc/67/81/87/1017678187.db2.gz GKZHBGJVTWKZRZ-CYBMUJFWSA-N -1 0 310.310 -0.583 20 0 DBADRM Cc1c(CN(C)C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cnn1C ZINC001600010944 1017678387 /nfs/dbraw/zinc/67/83/87/1017678387.db2.gz ATTUHNPPLVQSMC-BXKDBHETSA-N -1 0 322.365 -0.134 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@@H](C)CCO)cnn1CC(=O)[O-] ZINC001600026211 1017678689 /nfs/dbraw/zinc/67/86/89/1017678689.db2.gz HZSZBRLDOUVNRD-QMMMGPOBSA-N -1 0 312.326 -0.651 20 0 DBADRM Cc1c(CCC(=O)N[C@H](CC2OCCO2)C(=O)[O-])cnn1C ZINC001600011184 1017678762 /nfs/dbraw/zinc/67/87/62/1017678762.db2.gz GKOQWZFOBLKPGF-LLVKDONJSA-N -1 0 311.338 -0.006 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)cnn1C ZINC001600010723 1017678829 /nfs/dbraw/zinc/67/88/29/1017678829.db2.gz ZNKYGJCYKUDZKZ-JTQLQIEISA-N -1 0 308.338 -0.332 20 0 DBADRM Cc1c(CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cnn1C ZINC001600010025 1017678883 /nfs/dbraw/zinc/67/88/83/1017678883.db2.gz VUXWMUZKBJNSAF-VXGBXAGGSA-N -1 0 320.349 -0.681 20 0 DBADRM Cc1c(NC(=O)C(=O)NCC[C@H]2CCOC2)cnn1CC(=O)[O-] ZINC001600029271 1017679810 /nfs/dbraw/zinc/67/98/10/1017679810.db2.gz UUEFPZIWHPOVIY-JTQLQIEISA-N -1 0 324.337 -0.243 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCOCCF)cnn1CC(=O)[O-] ZINC001600028242 1017680163 /nfs/dbraw/zinc/68/01/63/1017680163.db2.gz CBOQLRZHDPLLII-UHFFFAOYSA-N -1 0 316.289 -0.683 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)cccc1C(=O)[O-] ZINC001600028434 1017680197 /nfs/dbraw/zinc/68/01/97/1017680197.db2.gz OKYYKWZKOOOZSK-QMMMGPOBSA-N -1 0 305.290 -0.364 20 0 DBADRM Cc1c(NC(=O)[C@H](C)N2C(=O)CCC2=O)cnn1CC(=O)[O-] ZINC001600030949 1017680228 /nfs/dbraw/zinc/68/02/28/1017680228.db2.gz OHWKOIFQTPTQGQ-QMMMGPOBSA-N -1 0 308.294 -0.248 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCC2(O)CCC2)cnn1CC(=O)[O-] ZINC001600028194 1017680401 /nfs/dbraw/zinc/68/04/01/1017680401.db2.gz AMGLYZXIGHRTKT-UHFFFAOYSA-N -1 0 324.337 -0.364 20 0 DBADRM Cc1cc(C(=O)N2CC(O)(C(=O)[O-])C2)ccc1N1CCNC1=O ZINC001600080311 1017681885 /nfs/dbraw/zinc/68/18/85/1017681885.db2.gz CYXJQXLZOHTMLB-UHFFFAOYSA-N -1 0 319.317 -0.204 20 0 DBADRM Cc1cc(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)on1 ZINC001600077001 1017681932 /nfs/dbraw/zinc/68/19/32/1017681932.db2.gz DZFZJRVOFKDQFN-VHSXEESVSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1cc(C(=O)N(CCO)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])co1 ZINC001600079187 1017681960 /nfs/dbraw/zinc/68/19/60/1017681960.db2.gz GKXAXLFBDAZTCT-RYUDHWBXSA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001600066242 1017682291 /nfs/dbraw/zinc/68/22/91/1017682291.db2.gz ZBKONLGGOXFVHA-UHFFFAOYSA-N -1 0 324.337 -0.204 20 0 DBADRM Cc1cc(C(=O)N(C)CCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])n(C)n1 ZINC001600078134 1017682348 /nfs/dbraw/zinc/68/23/48/1017682348.db2.gz FKRVRXFGHSNFJU-WDEREUQCSA-N -1 0 322.365 -0.020 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cc[n+]([O-])cc1 ZINC001498221780 1017683430 /nfs/dbraw/zinc/68/34/30/1017683430.db2.gz MNPHTDJFZRGZGF-SECBINFHSA-N -1 0 306.326 -0.606 20 0 DBADRM Cc1cc(C(=O)NC[C@H](CO)Nc2ncc(C(=O)[O-])cn2)on1 ZINC001600091571 1017683734 /nfs/dbraw/zinc/68/37/34/1017683734.db2.gz BMFCHCKXIUYJDG-SECBINFHSA-N -1 0 321.293 -0.326 20 0 DBADRM Cc1cc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c(C)n1NC(N)=O ZINC001600082214 1017683849 /nfs/dbraw/zinc/68/38/49/1017683849.db2.gz PRNZUOHBYJVFKC-MNOVXSKESA-N -1 0 324.337 -0.223 20 0 DBADRM Cc1cc(C(=O)N[C@H](CF)C(=O)[O-])ccc1S(N)(=O)=O ZINC001600090524 1017684096 /nfs/dbraw/zinc/68/40/96/1017684096.db2.gz PSOQGCFQCZXZLN-MRVPVSSYSA-N -1 0 304.299 -0.205 20 0 DBADRM Cc1cc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c(C)n1NC(N)=O ZINC001600082216 1017684316 /nfs/dbraw/zinc/68/43/16/1017684316.db2.gz PRNZUOHBYJVFKC-WDEREUQCSA-N -1 0 324.337 -0.223 20 0 DBADRM Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)ncn1 ZINC001600081460 1017684335 /nfs/dbraw/zinc/68/43/35/1017684335.db2.gz WKDTZEAFLUWUHO-NXEZZACHSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n(C)n1 ZINC001600093673 1017684358 /nfs/dbraw/zinc/68/43/58/1017684358.db2.gz OCPOCVOAKKYTBJ-GHMZBOCLSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])co1 ZINC001600092651 1017684542 /nfs/dbraw/zinc/68/45/42/1017684542.db2.gz VPTAAGMATPOQJU-NEPJUHHUSA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1cc(C(=O)[O-])nc(NC2CC(NS(C)(=O)=O)C2)n1 ZINC001600127847 1017685128 /nfs/dbraw/zinc/68/51/28/1017685128.db2.gz VSJRWLMUQDSAQQ-UHFFFAOYSA-N -1 0 300.340 -0.025 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001600130648 1017685323 /nfs/dbraw/zinc/68/53/23/1017685323.db2.gz NIUSKDAKZLNTBW-UHFFFAOYSA-N -1 0 309.278 -0.944 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@@H](CC[NH3+])C(=O)[O-] ZINC001600125023 1017685507 /nfs/dbraw/zinc/68/55/07/1017685507.db2.gz FRBDOWOOBYEZDA-VIFPVBQESA-N -1 0 316.335 -0.226 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1C[C@H](O)C[C@H](O)C1 ZINC001600124085 1017685661 /nfs/dbraw/zinc/68/56/61/1017685661.db2.gz HJBHXNBUJXPLNS-PHIMTYICSA-N -1 0 315.347 -0.191 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@@H]4C(=O)[O-])C[C@H]32)[nH]n1 ZINC001600098630 1017685719 /nfs/dbraw/zinc/68/57/19/1017685719.db2.gz CXOLQFIJXJVYPN-ULHKAFAUSA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2CCN3CCOC[C@]3(CO)C2)n1 ZINC001600125941 1017685725 /nfs/dbraw/zinc/68/57/25/1017685725.db2.gz FXXPPDOCDMYYOH-CQSZACIVSA-N -1 0 308.338 -0.633 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N(C)CC(=O)N2CCN(C)CC2)n1 ZINC001600125537 1017685914 /nfs/dbraw/zinc/68/59/14/1017685914.db2.gz YVBBUYRIKFVNAY-UHFFFAOYSA-N -1 0 307.354 -0.307 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NCC(=O)N(C)C ZINC001600116929 1017685965 /nfs/dbraw/zinc/68/59/65/1017685965.db2.gz DQECSTZMUDTZPK-UHFFFAOYSA-N -1 0 307.306 -0.164 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[C@@H]4C(=O)[O-])C[C@H]32)[nH]n1 ZINC001600098627 1017686223 /nfs/dbraw/zinc/68/62/23/1017686223.db2.gz CXOLQFIJXJVYPN-OFKSJOQMSA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1cc(CCN2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)nn1C ZINC001600187843 1017687094 /nfs/dbraw/zinc/68/70/94/1017687094.db2.gz IVIRIXQTCNXIAK-GMTAPVOTSA-N -1 0 306.322 -0.088 20 0 DBADRM Cc1cc(CC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)no1 ZINC001600187519 1017687103 /nfs/dbraw/zinc/68/71/03/1017687103.db2.gz MERAGMFUBSMHSP-GHMZBOCLSA-N -1 0 307.306 -0.427 20 0 DBADRM Cc1cc(C)n(CCN2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001600180318 1017687341 /nfs/dbraw/zinc/68/73/41/1017687341.db2.gz LKYUNQJYDXJNGT-NSHDSACASA-N -1 0 301.368 -0.316 20 0 DBADRM Cc1cc(C(=O)NC[C@H](O)C(=O)[O-])nn1-c1nc(C)cc(C)n1 ZINC001600181944 1017687437 /nfs/dbraw/zinc/68/74/37/1017687437.db2.gz SAWGNSQNOWDLLQ-NSHDSACASA-N -1 0 319.321 -0.237 20 0 DBADRM Cc1cc(CC(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n[nH]1 ZINC001600187546 1017687653 /nfs/dbraw/zinc/68/76/53/1017687653.db2.gz NSXHLZVLMWKCTB-MNOVXSKESA-N -1 0 320.349 -0.254 20 0 DBADRM Cc1cc(CC(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n(C)n1 ZINC001600186993 1017687831 /nfs/dbraw/zinc/68/78/31/1017687831.db2.gz DSOXHMCHNZPNGA-WDEREUQCSA-N -1 0 308.338 -0.776 20 0 DBADRM Cc1cc(CC(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001600187530 1017687916 /nfs/dbraw/zinc/68/79/16/1017687916.db2.gz MWMJNVXRDYWQHR-MNOVXSKESA-N -1 0 306.322 -0.692 20 0 DBADRM Cc1cc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n[nH]1 ZINC001600187429 1017687988 /nfs/dbraw/zinc/68/79/88/1017687988.db2.gz ZPSGZKXTSJVRCY-QSFUFRPTSA-N -1 0 320.349 -0.255 20 0 DBADRM Cc1cc(CNC2CN(S(=O)(=O)N(C)C)C2)oc1C(=O)[O-] ZINC001600206220 1017689331 /nfs/dbraw/zinc/68/93/31/1017689331.db2.gz OQHNJCIVZCLGCJ-UHFFFAOYSA-N -1 0 317.367 -0.134 20 0 DBADRM Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)[nH]n1 ZINC001600189971 1017689695 /nfs/dbraw/zinc/68/96/95/1017689695.db2.gz WNGUWUCTUDFVRU-KCJUWKMLSA-N -1 0 324.337 -0.923 20 0 DBADRM Cc1cc(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)oc1C(=O)[O-] ZINC001600198623 1017689861 /nfs/dbraw/zinc/68/98/61/1017689861.db2.gz PCNFUJLCJVZREA-GMTAPVOTSA-N -1 0 311.290 -0.685 20 0 DBADRM Cc1cc(N(C)C)ccc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001600236510 1017689974 /nfs/dbraw/zinc/68/99/74/1017689974.db2.gz XXXQVLOYBQPZHT-LLVKDONJSA-N -1 0 323.349 -0.049 20 0 DBADRM Cc1cc(CN2CC(O)(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)no1 ZINC001600192837 1017690017 /nfs/dbraw/zinc/69/00/17/1017690017.db2.gz VGRGYIIJQIYTPJ-WDEREUQCSA-N -1 0 309.322 -0.633 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])no1 ZINC001600215399 1017690342 /nfs/dbraw/zinc/69/03/42/1017690342.db2.gz DAXRINBYVLIISY-VHSXEESVSA-N -1 0 304.324 -0.277 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCn3nncc3C2)c(C(=O)[O-])[nH]1 ZINC001600245510 1017691401 /nfs/dbraw/zinc/69/14/01/1017691401.db2.gz UQQZSDYKHJEOPL-UHFFFAOYSA-N -1 0 318.293 -0.406 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cn(C)c1=O ZINC001600243441 1017691579 /nfs/dbraw/zinc/69/15/79/1017691579.db2.gz HWNHHYOWDUCBEB-ONGXEEELSA-N -1 0 321.333 -0.046 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC(CC(N)=O)C2)c(C(=O)[O-])[nH]1 ZINC001600243945 1017691823 /nfs/dbraw/zinc/69/18/23/1017691823.db2.gz LQHHFCSVIURDFD-UHFFFAOYSA-N -1 0 308.294 -0.706 20 0 DBADRM Cc1cc(N2CCC(NC(=O)N3CC(O)(C(=O)[O-])C3)CC2)n[nH]1 ZINC001600238584 1017691902 /nfs/dbraw/zinc/69/19/02/1017691902.db2.gz UFUPOTWRODVYIJ-UHFFFAOYSA-N -1 0 323.353 -0.472 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c(=O)n(C)c1 ZINC001600245997 1017691920 /nfs/dbraw/zinc/69/19/20/1017691920.db2.gz CBEDHUTWUNLBKT-SNVBAGLBSA-N -1 0 319.317 -0.078 20 0 DBADRM Cc1cc(N2CCN(CCO)CC2)n2nc(C(=O)[O-])nc2n1 ZINC001600240913 1017691938 /nfs/dbraw/zinc/69/19/38/1017691938.db2.gz BZTAMONFCJWHFP-UHFFFAOYSA-N -1 0 306.326 -0.755 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c(N(C)C)nn1 ZINC001600245010 1017692196 /nfs/dbraw/zinc/69/21/96/1017692196.db2.gz YTBIQEWASHCRAS-VIFPVBQESA-N -1 0 321.337 -0.277 20 0 DBADRM Cc1cc(N2CC[C@@](O)(C(=O)[O-])C2)nc(S(C)(=O)=O)n1 ZINC001600239249 1017692261 /nfs/dbraw/zinc/69/22/61/1017692261.db2.gz QOHSFUATTRHJEG-NSHDSACASA-N -1 0 301.324 -0.786 20 0 DBADRM Cc1cc(N2CC[C@H](NC(N)=O)C2)n2nc(C(=O)[O-])nc2n1 ZINC001600239551 1017692326 /nfs/dbraw/zinc/69/23/26/1017692326.db2.gz YMRLZIXVEHIVNX-ZETCQYMHSA-N -1 0 305.298 -0.622 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCOCCO)c(C(=O)[O-])s1 ZINC001600264855 1017693562 /nfs/dbraw/zinc/69/35/62/1017693562.db2.gz URYSNTCWIBCHSN-UHFFFAOYSA-N -1 0 316.335 -0.182 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCn2cncn2)c(C(=O)[O-])[nH]1 ZINC001600264045 1017693695 /nfs/dbraw/zinc/69/36/95/1017693695.db2.gz UHEDVISCOLOLFK-UHFFFAOYSA-N -1 0 306.282 -0.632 20 0 DBADRM Cc1cc(OCC(=O)NC(N)=O)ccc1NC(=O)CC(=O)[O-] ZINC001600287529 1017693710 /nfs/dbraw/zinc/69/37/10/1017693710.db2.gz GGWATNRLZULHDD-UHFFFAOYSA-N -1 0 309.278 -0.018 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001600284899 1017693884 /nfs/dbraw/zinc/69/38/84/1017693884.db2.gz YQQZNJGMKMJYLR-JQWIXIFHSA-N -1 0 324.333 -0.454 20 0 DBADRM Cc1cc(NC(=O)COC(=O)Cn2cc(C(=O)[O-])cn2)n(C)n1 ZINC001600256614 1017693962 /nfs/dbraw/zinc/69/39/62/1017693962.db2.gz XHSUWHOUFMACET-UHFFFAOYSA-N -1 0 321.293 -0.195 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001600284647 1017693970 /nfs/dbraw/zinc/69/39/70/1017693970.db2.gz RCBMOEDQGQFDJQ-CQSZACIVSA-N -1 0 310.306 -0.700 20 0 DBADRM Cc1cc(NC(=O)Cn2ccc(=O)n(C)c2=O)ncc1C(=O)[O-] ZINC001600257097 1017694203 /nfs/dbraw/zinc/69/42/03/1017694203.db2.gz COBHRUCDKPFBPV-UHFFFAOYSA-N -1 0 318.289 -0.413 20 0 DBADRM Cc1cc(NCCN(CCO)C(=O)[C@H]2C[C@H]2C(=O)[O-])ncn1 ZINC001600280986 1017694212 /nfs/dbraw/zinc/69/42/12/1017694212.db2.gz NNLPXJNKNZCGFW-WDEREUQCSA-N -1 0 308.338 -0.261 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001600284731 1017694460 /nfs/dbraw/zinc/69/44/60/1017694460.db2.gz VNOFKFNMPBIMSN-PWSUYJOCSA-N -1 0 324.333 -0.047 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC001600302007 1017695401 /nfs/dbraw/zinc/69/54/01/1017695401.db2.gz IFNMLEGWAUFLAM-QMMMGPOBSA-N -1 0 302.308 -0.172 20 0 DBADRM Cc1ccc(-c2nn(C)cc2C(=O)NCC(=O)NCC(=O)[O-])o1 ZINC001600318162 1017695537 /nfs/dbraw/zinc/69/55/37/1017695537.db2.gz BALMFRSUGKIGHU-UHFFFAOYSA-N -1 0 320.305 -0.081 20 0 DBADRM Cc1cc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)oc1C(=O)[O-] ZINC001600293216 1017696525 /nfs/dbraw/zinc/69/65/25/1017696525.db2.gz JSKQZFXQERGJCX-SFYZADRCSA-N -1 0 305.308 -0.740 20 0 DBADRM Cc1cc(S(=O)(=O)NCCc2nnc[nH]2)oc1C(=O)[O-] ZINC001600300091 1017696623 /nfs/dbraw/zinc/69/66/23/1017696623.db2.gz YSOWCBKRCQDROD-UHFFFAOYSA-N -1 0 300.296 -0.075 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)s1 ZINC001600338783 1017697553 /nfs/dbraw/zinc/69/75/53/1017697553.db2.gz DHKGLICVUNYSCK-KTLJEJPDSA-N -1 0 312.347 -0.119 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC1(CO)COC1 ZINC001600363082 1017697653 /nfs/dbraw/zinc/69/76/53/1017697653.db2.gz KXHMEFRIOVGXFA-UHFFFAOYSA-N -1 0 315.347 -0.020 20 0 DBADRM Cc1ccc(CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c(=O)n1C ZINC001600416416 1017697697 /nfs/dbraw/zinc/69/76/97/1017697697.db2.gz CKOYQWJEZVMJGY-ZYHUDNBSSA-N -1 0 323.349 -0.017 20 0 DBADRM Cc1ccc([C@@H](CNC(=O)CN2CCNCC2=O)C(=O)[O-])cc1 ZINC001600376152 1017698277 /nfs/dbraw/zinc/69/82/77/1017698277.db2.gz MTAYFONSZHKIGS-CYBMUJFWSA-N -1 0 319.361 -0.289 20 0 DBADRM Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001600339692 1017698517 /nfs/dbraw/zinc/69/85/17/1017698517.db2.gz UZHNFDFAAPGVMI-WDEREUQCSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CC(C)(C(N)=O)C1 ZINC001600349917 1017698567 /nfs/dbraw/zinc/69/85/67/1017698567.db2.gz YGQFUFUTUVATNH-UHFFFAOYSA-N -1 0 319.317 -0.034 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c(=O)[nH]1 ZINC001600438859 1017699440 /nfs/dbraw/zinc/69/94/40/1017699440.db2.gz GIPBDCUERLSBRC-ZJUUUORDSA-N -1 0 323.305 -0.529 20 0 DBADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)C(=O)[O-] ZINC001600483915 1017699508 /nfs/dbraw/zinc/69/95/08/1017699508.db2.gz FXMUQCNRHMMMEX-ZETCQYMHSA-N -1 0 315.303 -0.159 20 0 DBADRM Cc1ccc(NCCN(CCO)C(=O)[C@@H]2C[C@H]2C(=O)[O-])nn1 ZINC001600459555 1017699892 /nfs/dbraw/zinc/69/98/92/1017699892.db2.gz MFHXUMIVPPQPQS-GHMZBOCLSA-N -1 0 308.338 -0.261 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)O[C@@H](C)C(=O)C(=O)[O-] ZINC001600509541 1017700045 /nfs/dbraw/zinc/70/00/45/1017700045.db2.gz BLMCPRMTQQOXML-LKFCYVNXSA-N -1 0 311.290 -0.507 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCn2ncnn2)c(C(=O)[O-])c1 ZINC001600482294 1017700068 /nfs/dbraw/zinc/70/00/68/1017700068.db2.gz LVDWQNPDMKSSNJ-UHFFFAOYSA-N -1 0 311.323 -0.342 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)N2CC(C(=O)[O-])C2)cc1 ZINC001600480055 1017700238 /nfs/dbraw/zinc/70/02/38/1017700238.db2.gz NKTKNEFFSIDHBI-UHFFFAOYSA-N -1 0 312.347 -0.184 20 0 DBADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)C(=O)[O-] ZINC001600483914 1017700278 /nfs/dbraw/zinc/70/02/78/1017700278.db2.gz FXMUQCNRHMMMEX-SSDOTTSWSA-N -1 0 315.303 -0.159 20 0 DBADRM Cc1cccc(-n2cc(C(=O)N3CC(O)(C(=O)[O-])C3)nn2)c1 ZINC001600507945 1017700414 /nfs/dbraw/zinc/70/04/14/1017700414.db2.gz JIUMEJLXTWHRSS-UHFFFAOYSA-N -1 0 302.290 -0.153 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)cc1C(=O)[O-] ZINC001600439533 1017700420 /nfs/dbraw/zinc/70/04/20/1017700420.db2.gz GUBLJCNRWDKSBL-PHIMTYICSA-N -1 0 308.290 -0.804 20 0 DBADRM Cc1cccc2c1C[C@@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])CO2 ZINC001600553703 1017700842 /nfs/dbraw/zinc/70/08/42/1017700842.db2.gz DBPJCNTXTKBKOO-KOLCDFICSA-N -1 0 324.308 -0.046 20 0 DBADRM C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)c1ncccc1[O-] ZINC001498261674 1017701215 /nfs/dbraw/zinc/70/12/15/1017701215.db2.gz HZLZHBUBLFDEFR-IUCAKERBSA-N -1 0 323.353 -0.579 20 0 DBADRM Cc1ccccc1CCN(C)C(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600578310 1017701674 /nfs/dbraw/zinc/70/16/74/1017701674.db2.gz DXGVPEJQZOKCNC-UHFFFAOYSA-N -1 0 320.345 -0.346 20 0 DBADRM C[C@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)c1ncccc1[O-] ZINC001498261676 1017702181 /nfs/dbraw/zinc/70/21/81/1017702181.db2.gz HZLZHBUBLFDEFR-RKDXNWHRSA-N -1 0 323.353 -0.579 20 0 DBADRM Cc1ccccc1CNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001600581095 1017702102 /nfs/dbraw/zinc/70/21/02/1017702102.db2.gz RDZZVZHSUYGLKF-CHWSQXEVSA-N -1 0 320.345 -0.095 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCC1(C(=O)[O-])CC1 ZINC001600510250 1017702200 /nfs/dbraw/zinc/70/22/00/1017702200.db2.gz QOFQIQRSKRDVQN-CQSZACIVSA-N -1 0 308.334 -0.111 20 0 DBADRM Cc1ccnc(C(=O)NC[C@H](C)Nc2ccnc(C(=O)[O-])n2)n1 ZINC001600598201 1017703451 /nfs/dbraw/zinc/70/34/51/1017703451.db2.gz HHBSJMZSCXIPJK-VIFPVBQESA-N -1 0 316.321 -0.074 20 0 DBADRM Cc1ccnc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])n1 ZINC001600599970 1017703987 /nfs/dbraw/zinc/70/39/87/1017703987.db2.gz MLXWCQVHQXSSOI-UWVGGRQHSA-N -1 0 319.321 -0.636 20 0 DBADRM Cc1cn(C)nc1NC(=O)C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001600612445 1017704611 /nfs/dbraw/zinc/70/46/11/1017704611.db2.gz HUTIHZIZIUNPLI-ZDUSSCGKSA-N -1 0 310.310 -0.583 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)c1 ZINC001600624415 1017704774 /nfs/dbraw/zinc/70/47/74/1017704774.db2.gz ZQFRDIGCLZOEFJ-UHFFFAOYSA-N -1 0 315.351 -0.524 20 0 DBADRM Cc1cnc(CCNC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cn1 ZINC001600619739 1017704783 /nfs/dbraw/zinc/70/47/83/1017704783.db2.gz JSZGUSKLAMNFQP-KLPPZKSPSA-N -1 0 320.349 -0.235 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1 ZINC001600624408 1017704884 /nfs/dbraw/zinc/70/48/84/1017704884.db2.gz YQFLEFFAHUTXAO-WCBMZHEXSA-N -1 0 315.351 -0.429 20 0 DBADRM Cc1cnc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)o1 ZINC001600615971 1017705171 /nfs/dbraw/zinc/70/51/71/1017705171.db2.gz FKLVPPGWTBMSOD-AWEZNQCLSA-N -1 0 309.322 -0.015 20 0 DBADRM Cc1cn(C)nc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001600612875 1017705295 /nfs/dbraw/zinc/70/52/95/1017705295.db2.gz UGASSTQIJQBPFY-BDAKNGLRSA-N -1 0 310.310 -0.632 20 0 DBADRM Cc1cn2ccnc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])c2n1 ZINC001600614846 1017705401 /nfs/dbraw/zinc/70/54/01/1017705401.db2.gz IWZPVVANKVTJSF-VIFPVBQESA-N -1 0 317.305 -0.547 20 0 DBADRM Cc1cnc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cn1 ZINC001600617203 1017705660 /nfs/dbraw/zinc/70/56/60/1017705660.db2.gz XOUVALJDEDSQRR-WUNPDAOYSA-N -1 0 318.333 -0.092 20 0 DBADRM Cc1cnc2nc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])nn2c1 ZINC001600626793 1017705862 /nfs/dbraw/zinc/70/58/62/1017705862.db2.gz FKMXZXWNHRMGOR-YUMQZZPRSA-N -1 0 320.309 -0.860 20 0 DBADRM Cc1c[nH]cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1=O ZINC001600626787 1017705978 /nfs/dbraw/zinc/70/59/78/1017705978.db2.gz FDTFPBIFWIODGT-JTQLQIEISA-N -1 0 307.306 -0.511 20 0 DBADRM Cc1cnc(C(=O)NCCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])cn1 ZINC001600616821 1017706024 /nfs/dbraw/zinc/70/60/24/1017706024.db2.gz LKJRFQYJEGTYIV-VHSXEESVSA-N -1 0 306.322 -0.258 20 0 DBADRM Cc1cncn1CC(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001600633166 1017706787 /nfs/dbraw/zinc/70/67/87/1017706787.db2.gz VIQJWROQKMMAHU-SECBINFHSA-N -1 0 318.337 -0.282 20 0 DBADRM Cc1cnn(-c2c(C(=O)NC[C@H](O)C(=O)[O-])c(C)nn2C)c1 ZINC001600631555 1017706808 /nfs/dbraw/zinc/70/68/08/1017706808.db2.gz CSSNYQQUCXTWBH-VIFPVBQESA-N -1 0 307.310 -0.602 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001600635697 1017706892 /nfs/dbraw/zinc/70/68/92/1017706892.db2.gz SKDSRHLTNRGSHM-IUCAKERBSA-N -1 0 303.340 -0.673 20 0 DBADRM Cc1cnn(C)c1NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001600635657 1017707241 /nfs/dbraw/zinc/70/72/41/1017707241.db2.gz QHKXYFAUFYXJMY-UHFFFAOYSA-N -1 0 320.309 -0.105 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600635094 1017707350 /nfs/dbraw/zinc/70/73/50/1017707350.db2.gz DRXQOLSHFNBINI-MNOVXSKESA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1cnn(C)c1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600635984 1017707362 /nfs/dbraw/zinc/70/73/62/1017707362.db2.gz ZHYUUGWVKQFPCY-YIZUVKHSSA-N -1 0 320.349 -0.149 20 0 DBADRM Cc1cncc(NC(=O)C(=O)NCCC(=O)NCCC(=O)[O-])c1 ZINC001600628403 1017707727 /nfs/dbraw/zinc/70/77/27/1017707727.db2.gz SDKVNNIQCLPNIU-UHFFFAOYSA-N -1 0 322.321 -0.574 20 0 DBADRM Cc1cncn1CC(=O)N(C)CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600632048 1017707752 /nfs/dbraw/zinc/70/77/52/1017707752.db2.gz WBRLOJVFSRZCLL-NEPJUHHUSA-N -1 0 322.365 -0.123 20 0 DBADRM Cc1cnc2nc(C(=O)N[C@@H](C(=O)[O-])c3ccn(C)n3)nn2c1 ZINC001600627430 1017707816 /nfs/dbraw/zinc/70/78/16/1017707816.db2.gz RSWZGPQJSDYSIS-SECBINFHSA-N -1 0 315.293 -0.278 20 0 DBADRM Cc1cnn(-c2c(C(=O)N[C@@H](CO)C(=O)[O-])c(C)nn2C)c1 ZINC001600632384 1017707844 /nfs/dbraw/zinc/70/78/44/1017707844.db2.gz KATDRUQSKCDJGC-VIFPVBQESA-N -1 0 307.310 -0.602 20 0 DBADRM Cc1csc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001600659987 1017708533 /nfs/dbraw/zinc/70/85/33/1017708533.db2.gz JGJYTJBSNHINOA-YUMQZZPRSA-N -1 0 313.335 -0.316 20 0 DBADRM Cc1cnn(CC(=O)NCCN(C)c2ncc(C(=O)[O-])cn2)c1 ZINC001600636560 1017708796 /nfs/dbraw/zinc/70/87/96/1017708796.db2.gz GRVGJSAOFHJVAI-UHFFFAOYSA-N -1 0 318.337 -0.068 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NCCCN1C(=O)CNC1=O ZINC001600644340 1017708923 /nfs/dbraw/zinc/70/89/23/1017708923.db2.gz WPKQAARSQREPRB-UHFFFAOYSA-N -1 0 323.305 -0.113 20 0 DBADRM Cc1cnn(CC(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001600637965 1017709332 /nfs/dbraw/zinc/70/93/32/1017709332.db2.gz XGDCPDIKPLDWPM-RYUDHWBXSA-N -1 0 320.349 -0.419 20 0 DBADRM Cc1conc1CS(=O)(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001600645471 1017709938 /nfs/dbraw/zinc/70/99/38/1017709938.db2.gz OXFKNGFFRZFVKD-NSHDSACASA-N -1 0 304.324 -0.106 20 0 DBADRM Cc1csc(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001600659985 1017709962 /nfs/dbraw/zinc/70/99/62/1017709962.db2.gz JGJYTJBSNHINOA-JGVFFNPUSA-N -1 0 313.335 -0.316 20 0 DBADRM Cc1csc(NC(=O)C(=O)N(CCO)CCO)c1C(=O)[O-] ZINC001600659680 1017710127 /nfs/dbraw/zinc/71/01/27/1017710127.db2.gz BEKDCPYQLASROE-UHFFFAOYSA-N -1 0 316.335 -0.494 20 0 DBADRM Cc1cnn(CC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001600637363 1017710136 /nfs/dbraw/zinc/71/01/36/1017710136.db2.gz RMMQFIACILGCPX-OAHLLOKOSA-N -1 0 322.365 -0.421 20 0 DBADRM Cc1n[nH]c(C)c1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600667095 1017710461 /nfs/dbraw/zinc/71/04/61/1017710461.db2.gz RILYQTHQZCLMNJ-UWVGGRQHSA-N -1 0 306.322 -0.312 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)[C@@H]2CCN(C)C2=O)c1C(=O)[O-] ZINC001600669889 1017710578 /nfs/dbraw/zinc/71/05/78/1017710578.db2.gz BLVMLIGGKSUMRZ-SSDOTTSWSA-N -1 0 316.339 -0.732 20 0 DBADRM Cc1nnc(CC(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]1 ZINC001600670876 1017711177 /nfs/dbraw/zinc/71/11/77/1017711177.db2.gz AQYKANNDJGMBIU-VHSXEESVSA-N -1 0 321.337 -0.954 20 0 DBADRM Cc1nnc(CC(=O)N(C)C2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]1 ZINC001600671333 1017711211 /nfs/dbraw/zinc/71/12/11/1017711211.db2.gz JAWJTEVNMNIAON-ZJUUUORDSA-N -1 0 321.337 -0.954 20 0 DBADRM Cc1csc2ncc(C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])c(=O)n12 ZINC001600665085 1017711306 /nfs/dbraw/zinc/71/13/06/1017711306.db2.gz JLJWUSIWLWSHAF-APPZFPTMSA-N -1 0 323.330 -0.276 20 0 DBADRM Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001600667895 1017711378 /nfs/dbraw/zinc/71/13/78/1017711378.db2.gz JIYIHOZVKBUYEL-PRHODGIISA-N -1 0 322.365 -0.041 20 0 DBADRM Cc1csc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)c1C(=O)[O-] ZINC001600660321 1017711513 /nfs/dbraw/zinc/71/15/13/1017711513.db2.gz LSVXNTSSEWASOA-BQBZGAKWSA-N -1 0 314.319 -0.743 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)C(C)(C)C(N)=O)c1C(=O)[O-] ZINC001600671949 1017714053 /nfs/dbraw/zinc/71/40/53/1017714053.db2.gz JRYFMVHABMQKNY-UHFFFAOYSA-N -1 0 304.328 -0.699 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H](CCO)C2CC2)c1C(=O)[O-] ZINC001600672227 1017714080 /nfs/dbraw/zinc/71/40/80/1017714080.db2.gz ASBKDHWMEPHVQE-MRVPVSSYSA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1nc(N2CCN(S(=O)(=O)CCCC(=O)[O-])CC2)n[nH]1 ZINC001600672019 1017714385 /nfs/dbraw/zinc/71/43/85/1017714385.db2.gz NCXBBZCSSUBTIB-UHFFFAOYSA-N -1 0 317.371 -0.570 20 0 DBADRM Cc1nnc(CC(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)[nH]1 ZINC001600671685 1017715377 /nfs/dbraw/zinc/71/53/77/1017715377.db2.gz UWGDWZKHWXRHHB-VIFPVBQESA-N -1 0 319.325 -0.191 20 0 DBADRM Cc1nc(SCC(=O)NCCC(=O)NCCC(=O)[O-])n[nH]1 ZINC001600675352 1017715400 /nfs/dbraw/zinc/71/54/00/1017715400.db2.gz VMMNLZBGVVIPTB-UHFFFAOYSA-N -1 0 315.355 -0.698 20 0 DBADRM Cc1nc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])c[nH]1 ZINC001600683271 1017715969 /nfs/dbraw/zinc/71/59/69/1017715969.db2.gz MFCQFCZVUVWXNQ-ZJUUUORDSA-N -1 0 308.338 -0.031 20 0 DBADRM Cc1nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c[nH]1 ZINC001600682456 1017716099 /nfs/dbraw/zinc/71/60/99/1017716099.db2.gz NNMHIEOYFRXULO-OMHSBUABSA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1nn[nH]c1C(=O)NCC=CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600675830 1017716643 /nfs/dbraw/zinc/71/66/43/1017716643.db2.gz RVRMWOWRTXKVMJ-KHVQUVQLSA-N -1 0 307.310 -0.764 20 0 DBADRM Cc1nc(C(=O)N(C)CCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])c[nH]1 ZINC001600683267 1017717288 /nfs/dbraw/zinc/71/72/88/1017717288.db2.gz MFCQFCZVUVWXNQ-UWVGGRQHSA-N -1 0 308.338 -0.031 20 0 DBADRM Cc1nc(C)c(C(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nc1C ZINC001600690576 1017717590 /nfs/dbraw/zinc/71/75/90/1017717590.db2.gz MPFWPJVIJCRXHR-MNOVXSKESA-N -1 0 320.349 -0.031 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N3CC[C@](F)(C(=O)[O-])C3)nn2)no1 ZINC001600706857 1017718006 /nfs/dbraw/zinc/71/80/06/1017718006.db2.gz RJHKHGOKJJWPIL-GFCCVEGCSA-N -1 0 324.272 -0.343 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N3CC[C@@H](C(=O)[O-])[C@H]3C)nn2)no1 ZINC001600706674 1017718051 /nfs/dbraw/zinc/71/80/51/1017718051.db2.gz MSDZVKXHDOGMBX-VXNVDRBHSA-N -1 0 320.309 -0.047 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H]3C)nn2)no1 ZINC001600706673 1017718451 /nfs/dbraw/zinc/71/84/51/1017718451.db2.gz MSDZVKXHDOGMBX-IONNQARKSA-N -1 0 320.309 -0.047 20 0 DBADRM Cc1nc([C@H]2COCCN2S(=O)(=O)CCCC(=O)[O-])no1 ZINC001600693999 1017719239 /nfs/dbraw/zinc/71/92/39/1017719239.db2.gz BFFUWARTEYFLBP-SECBINFHSA-N -1 0 319.339 -0.054 20 0 DBADRM Cc1nc2ncnn2c(NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1C ZINC001600731504 1017720173 /nfs/dbraw/zinc/72/01/73/1017720173.db2.gz RPTSGZONDMLDBW-VHSXEESVSA-N -1 0 318.337 -0.010 20 0 DBADRM Cc1ncc(C(=O)N(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1C ZINC001600733072 1017720690 /nfs/dbraw/zinc/72/06/90/1017720690.db2.gz HUDJMMHSBYSUSI-VHSXEESVSA-N -1 0 308.338 -0.363 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001600732121 1017721222 /nfs/dbraw/zinc/72/12/22/1017721222.db2.gz PGJJFSYEQGRMNG-DTORHVGOSA-N -1 0 318.337 -0.155 20 0 DBADRM Cc1nc2ccc(C(=O)NCC(=O)NCC(=O)[O-])cc2n1C ZINC001600726335 1017721402 /nfs/dbraw/zinc/72/14/02/1017721402.db2.gz OMWCRQFWENSZBB-UHFFFAOYSA-N -1 0 304.306 -0.188 20 0 DBADRM Cc1ncc(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])o1 ZINC001600736062 1017722262 /nfs/dbraw/zinc/72/22/62/1017722262.db2.gz IMRAMTLLNJDIOZ-UHFFFAOYSA-N -1 0 311.338 -0.229 20 0 DBADRM Cc1nccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600748650 1017722401 /nfs/dbraw/zinc/72/24/01/1017722401.db2.gz DHCHMRPKJFOAJI-NAKRPEOUSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1nccc(C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001600749174 1017722508 /nfs/dbraw/zinc/72/25/08/1017722508.db2.gz VVSCOPURYSQMFN-VHSXEESVSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)cn1 ZINC001600737553 1017722919 /nfs/dbraw/zinc/72/29/19/1017722919.db2.gz LAMYSKHHCIGCCY-UHFFFAOYSA-N -1 0 308.294 -0.838 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2)cc1C(=O)[O-] ZINC001600746845 1017723488 /nfs/dbraw/zinc/72/34/88/1017723488.db2.gz MCZUMCVPVCHXOL-QMMMGPOBSA-N -1 0 313.335 -0.403 20 0 DBADRM Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)COCC(=O)[O-])n1 ZINC001600753320 1017724206 /nfs/dbraw/zinc/72/42/06/1017724206.db2.gz URBSWRGPZQCBHO-WDEREUQCSA-N -1 0 324.337 -0.428 20 0 DBADRM Cc1ncncc1C(=O)NCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001600758209 1017724304 /nfs/dbraw/zinc/72/43/04/1017724304.db2.gz DCXKBKPSJZXXIL-UWVGGRQHSA-N -1 0 306.322 -0.306 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC001600750625 1017724371 /nfs/dbraw/zinc/72/43/71/1017724371.db2.gz MUFSDKGJTSACSR-LDYMZIIASA-N -1 0 306.322 -0.420 20 0 DBADRM Cc1ncn(C)c1C(=O)NCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600758387 1017724649 /nfs/dbraw/zinc/72/46/49/1017724649.db2.gz NJWJVTGXLXXBIT-VHSXEESVSA-N -1 0 308.338 -0.363 20 0 DBADRM Cc1ncccc1NC(=O)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001600753770 1017724935 /nfs/dbraw/zinc/72/49/35/1017724935.db2.gz HUORVVDRANXKQA-UHFFFAOYSA-N -1 0 318.293 -0.565 20 0 DBADRM Cc1nccc(N2CCN(Cc3cn(CC(=O)[O-])nn3)CC2)n1 ZINC001600750982 1017725003 /nfs/dbraw/zinc/72/50/03/1017725003.db2.gz QFDFVBYFPRLMNQ-UHFFFAOYSA-N -1 0 317.353 -0.217 20 0 DBADRM Cc1nccnc1N1CCN(Cn2cnc(C(=O)[O-])n2)CC1 ZINC001600756868 1017725053 /nfs/dbraw/zinc/72/50/53/1017725053.db2.gz GLPCXNPHFOPICD-UHFFFAOYSA-N -1 0 303.326 -0.146 20 0 DBADRM Cc1nccnc1N1CCN([C@H](C)C(=O)NCC(=O)[O-])CC1 ZINC001600757569 1017725081 /nfs/dbraw/zinc/72/50/81/1017725081.db2.gz SLWJJIRQGBSWBB-LLVKDONJSA-N -1 0 307.354 -0.504 20 0 DBADRM Cc1ncn(C)c1C(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001600757855 1017725371 /nfs/dbraw/zinc/72/53/71/1017725371.db2.gz BPMSXKADIRNVTI-QMMMGPOBSA-N -1 0 318.337 -0.131 20 0 DBADRM Cc1ncc2n1C[C@@H](C(=O)N[C@H](Cn1cncn1)C(=O)[O-])CC2 ZINC001600749756 1017725495 /nfs/dbraw/zinc/72/54/95/1017725495.db2.gz YIFVVASMVMXDCS-CMPLNLGQSA-N -1 0 318.337 -0.385 20 0 DBADRM Cc1nccn1CC(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001600754880 1017725519 /nfs/dbraw/zinc/72/55/19/1017725519.db2.gz OJEGBOPLHCTNGF-VIFPVBQESA-N -1 0 318.337 -0.282 20 0 DBADRM Cc1ncccc1NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001600754010 1017725599 /nfs/dbraw/zinc/72/55/99/1017725599.db2.gz PRUOUCLZWIXJQT-VHSXEESVSA-N -1 0 307.306 -0.377 20 0 DBADRM Cc1ncncc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600758609 1017725651 /nfs/dbraw/zinc/72/56/51/1017725651.db2.gz RLNCFOXHUKHKKB-MNOVXSKESA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1nn(C)c(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1C ZINC001600772155 1017726245 /nfs/dbraw/zinc/72/62/45/1017726245.db2.gz AMKCPNKTVYGHEZ-NXEZZACHSA-N -1 0 324.337 -0.588 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)NCCC(=O)[O-] ZINC001600768409 1017726581 /nfs/dbraw/zinc/72/65/81/1017726581.db2.gz CMSSALXIMQJXCS-UHFFFAOYSA-N -1 0 311.294 -0.646 20 0 DBADRM Cc1ncn(C)c1C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001498310679 1017726852 /nfs/dbraw/zinc/72/68/52/1017726852.db2.gz GVXAVLQSSNDMFI-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](O)CNC(=O)NCCOCC(=O)[O-] ZINC001600768829 1017726794 /nfs/dbraw/zinc/72/67/94/1017726794.db2.gz AZTQIWNYZHQDSC-SNVBAGLBSA-N -1 0 314.342 -0.529 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001600771941 1017726885 /nfs/dbraw/zinc/72/68/85/1017726885.db2.gz ZVXXYTQNKXZDLH-ONGXEEELSA-N -1 0 324.337 -0.588 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001600768238 1017726909 /nfs/dbraw/zinc/72/69/09/1017726909.db2.gz MGNOVRIIUVONIM-GFCCVEGCSA-N -1 0 323.349 -0.096 20 0 DBADRM Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@](C)(CO)C(=O)[O-])[nH]n1 ZINC001600768575 1017727293 /nfs/dbraw/zinc/72/72/93/1017727293.db2.gz ZLPSTAKDPCYDMC-AWEZNQCLSA-N -1 0 321.337 -0.008 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001600771940 1017727385 /nfs/dbraw/zinc/72/73/85/1017727385.db2.gz ZVXXYTQNKXZDLH-MWLCHTKSSA-N -1 0 324.337 -0.588 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001600769035 1017727463 /nfs/dbraw/zinc/72/74/63/1017727463.db2.gz KIRLVTOPGGHKBG-GZMMTYOYSA-N -1 0 322.365 -0.058 20 0 DBADRM Cc1nn(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c(=O)n1C ZINC001600778644 1017728612 /nfs/dbraw/zinc/72/86/12/1017728612.db2.gz LOOMQRLKZSTDCR-NHCYSSNCSA-N -1 0 308.338 -0.398 20 0 DBADRM Cc1nn(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c(=O)n1C ZINC001600778643 1017728624 /nfs/dbraw/zinc/72/86/24/1017728624.db2.gz LOOMQRLKZSTDCR-JBLDHEPKSA-N -1 0 308.338 -0.398 20 0 DBADRM Cc1nn(C)cc1CC(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-] ZINC001600776573 1017728838 /nfs/dbraw/zinc/72/88/38/1017728838.db2.gz VNJHOXHZKXYKBH-UHFFFAOYSA-N -1 0 323.309 -0.298 20 0 DBADRM Cc1nn(C)c(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)c1C ZINC001600772440 1017728897 /nfs/dbraw/zinc/72/88/97/1017728897.db2.gz HEMZWWFJFFLUQL-UHFFFAOYSA-N -1 0 324.337 -0.586 20 0 DBADRM Cc1nn(C)cc1C(=O)NCC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600776177 1017729448 /nfs/dbraw/zinc/72/94/48/1017729448.db2.gz LISZLRUNUAAXTO-QWRGUYRKSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1nn(CCS(=O)(=O)NC(C)(C)CC(=O)[O-])c(=O)o1 ZINC001600787845 1017729900 /nfs/dbraw/zinc/72/99/00/1017729900.db2.gz OBAAYUMGARAALW-UHFFFAOYSA-N -1 0 307.328 -0.683 20 0 DBADRM Cc1nn(CC(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)c(=O)n1C ZINC001600781170 1017730009 /nfs/dbraw/zinc/73/00/09/1017730009.db2.gz WPMBCILYAPPQKC-LBPRGKRZSA-N -1 0 320.305 -0.462 20 0 DBADRM Cc1nnc(CC(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)o1 ZINC001600792236 1017730408 /nfs/dbraw/zinc/73/04/08/1017730408.db2.gz JHBZZSBGSNLWLZ-UHFFFAOYSA-N -1 0 320.309 -0.599 20 0 DBADRM Cc1nn2cccnc2c1C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001600790217 1017730629 /nfs/dbraw/zinc/73/06/29/1017730629.db2.gz CUHNSGKUZPJZTO-NXEZZACHSA-N -1 0 304.306 -0.055 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001600779640 1017731127 /nfs/dbraw/zinc/73/11/27/1017731127.db2.gz GZSMRJWDKHFHTN-NSHDSACASA-N -1 0 308.338 -0.178 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)[nH]1 ZINC001600791959 1017731253 /nfs/dbraw/zinc/73/12/53/1017731253.db2.gz IHSYLAOSLXFDAB-IONNQARKSA-N -1 0 309.326 -0.386 20 0 DBADRM Cc1nn2cccnc2c1C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001600790254 1017731381 /nfs/dbraw/zinc/73/13/81/1017731381.db2.gz FRZXRLFFJXNYQK-UHFFFAOYSA-N -1 0 303.322 -0.120 20 0 DBADRM Cc1nnc(CNC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)n1C ZINC001600795832 1017732049 /nfs/dbraw/zinc/73/20/49/1017732049.db2.gz IYRUFPAZRBWTHH-UHFFFAOYSA-N -1 0 319.325 -0.146 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1C ZINC001600794058 1017732102 /nfs/dbraw/zinc/73/21/02/1017732102.db2.gz HPXVBNLYFXBOSP-MWLCHTKSSA-N -1 0 309.370 -0.266 20 0 DBADRM Cc1nnc(COCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])s1 ZINC001600796612 1017732146 /nfs/dbraw/zinc/73/21/46/1017732146.db2.gz PZGPKQBAXVWESU-LDYMZIIASA-N -1 0 315.351 -0.031 20 0 DBADRM Cc1nnc(N2C[C@@H](CC(=O)[O-])[C@H](O)C2)n1Cc1nncn1C ZINC001600797561 1017732344 /nfs/dbraw/zinc/73/23/44/1017732344.db2.gz KEHZUMMXNXNMFL-NXEZZACHSA-N -1 0 321.341 -0.965 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)CC2 ZINC001600799597 1017732356 /nfs/dbraw/zinc/73/23/56/1017732356.db2.gz APBKDGXKOUGMNC-MNOVXSKESA-N -1 0 308.338 -0.149 20 0 DBADRM Cc1nnc(CC(=O)NCCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])o1 ZINC001600794478 1017732374 /nfs/dbraw/zinc/73/23/74/1017732374.db2.gz OZJHFWMVXJLPAJ-NXEZZACHSA-N -1 0 324.337 -0.394 20 0 DBADRM Cc1nnc(CC(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])o1 ZINC001600794368 1017732472 /nfs/dbraw/zinc/73/24/72/1017732472.db2.gz MNBYWMPMULHEOA-JAFKPYBISA-N -1 0 322.321 -0.570 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)NC[C@]1(C(=O)[O-])CCOC1)CC2 ZINC001600799831 1017733158 /nfs/dbraw/zinc/73/31/58/1017733158.db2.gz FREGICOKBBGZQN-IINYFYTJSA-N -1 0 308.338 -0.244 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)[C@H]1C[C@H]1C(=O)[O-])C2 ZINC001600801256 1017733536 /nfs/dbraw/zinc/73/35/36/1017733536.db2.gz MVPWULIGRVAPNV-AEJSXWLSSA-N -1 0 321.337 -0.894 20 0 DBADRM Cc1nnsc1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600802588 1017734026 /nfs/dbraw/zinc/73/40/26/1017734026.db2.gz JEDQKVYBLVFSME-DTWKUNHWSA-N -1 0 324.362 -0.150 20 0 DBADRM Cc1nnsc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600802795 1017734034 /nfs/dbraw/zinc/73/40/34/1017734034.db2.gz PAQLMJDSVFBBNV-HTQZYQBOSA-N -1 0 310.335 -0.492 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)[C@H]1C[C@H]1C(=O)[O-])C2 ZINC001600801259 1017734392 /nfs/dbraw/zinc/73/43/92/1017734392.db2.gz MVPWULIGRVAPNV-IVZWLZJFSA-N -1 0 321.337 -0.894 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c(F)c1 ZINC001600800490 1017734429 /nfs/dbraw/zinc/73/44/29/1017734429.db2.gz KPGGPTDNNICRBP-KBUNVGBDSA-N -1 0 323.284 -0.326 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)N(C)[C@@H](C)C(=O)[O-] ZINC001600809759 1017734603 /nfs/dbraw/zinc/73/46/03/1017734603.db2.gz KRZOOPZWHKZSGV-ZETCQYMHSA-N -1 0 319.339 -0.499 20 0 DBADRM Cc1noc(CNC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)n1 ZINC001600814669 1017735214 /nfs/dbraw/zinc/73/52/14/1017735214.db2.gz LFPCFYGOMRRFRX-LBPRGKRZSA-N -1 0 309.282 -0.107 20 0 DBADRM Cc1noc(CN2C[C@@H]3CN(C(=O)[C@H]4C[C@@H]4C(=O)[O-])C[C@@H]3C2)n1 ZINC001600813330 1017735559 /nfs/dbraw/zinc/73/55/59/1017735559.db2.gz XVHZHMVYSVMHHX-USZNOCQGSA-N -1 0 320.349 -0.011 20 0 DBADRM Cc1nonc1CC(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001600817894 1017736236 /nfs/dbraw/zinc/73/62/36/1017736236.db2.gz RDYYWRRDTUTZJE-ZETCQYMHSA-N -1 0 320.309 -0.553 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H]1CCCN(CC(N)=O)C1 ZINC001600825845 1017736709 /nfs/dbraw/zinc/73/67/09/1017736709.db2.gz VJKXTPHERRHKDI-VIFPVBQESA-N -1 0 309.322 -0.034 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)/C=C\C(=O)[O-] ZINC001600857865 1017737642 /nfs/dbraw/zinc/73/76/42/1017737642.db2.gz MAEOMQAGHZYJQY-SYDCGGLASA-N -1 0 302.308 -0.005 20 0 DBADRM Cn1c(-c2cc(=O)[nH]c(N)n2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001600892517 1017738570 /nfs/dbraw/zinc/73/85/70/1017738570.db2.gz XQDIXVRHLRBOAJ-UHFFFAOYSA-N -1 0 319.325 -0.139 20 0 DBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001600859123 1017738636 /nfs/dbraw/zinc/73/86/36/1017738636.db2.gz LZUNSZWBVAEMAY-CYBMUJFWSA-N -1 0 309.278 -0.600 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001600864012 1017738745 /nfs/dbraw/zinc/73/87/45/1017738745.db2.gz GFRNLHSLKPQVDX-RQJHMYQMSA-N -1 0 305.312 -0.979 20 0 DBADRM Cc1occc(=O)c1OCC(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001600859470 1017738760 /nfs/dbraw/zinc/73/87/60/1017738760.db2.gz OQCPERVDFYAAMX-CQSZACIVSA-N -1 0 311.290 -0.065 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001600864717 1017738792 /nfs/dbraw/zinc/73/87/92/1017738792.db2.gz UUMISNNMIIBIPJ-ZCFIWIBFSA-N -1 0 307.353 -0.244 20 0 DBADRM Cc1oncc1CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001600864545 1017738980 /nfs/dbraw/zinc/73/89/80/1017738980.db2.gz RIRAMFDMXZJBHG-UHFFFAOYSA-N -1 0 300.296 -0.257 20 0 DBADRM Cn1c(-c2cc(=O)[nH]c(N)n2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001600892421 1017739075 /nfs/dbraw/zinc/73/90/75/1017739075.db2.gz UAQNJPDYWBIMOB-LURJTMIESA-N -1 0 305.298 -0.529 20 0 DBADRM Cn1c(=O)cccc1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600899618 1017740414 /nfs/dbraw/zinc/74/04/14/1017740414.db2.gz PERWCPQLZJXCCC-VHSXEESVSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1c2ncn(Cc3cccc(C(=O)[O-])n3)c2c(=O)n(C)c1=O ZINC001600894227 1017740712 /nfs/dbraw/zinc/74/07/12/1017740712.db2.gz CEJZENYNAMDROE-UHFFFAOYSA-N -1 0 315.289 -0.425 20 0 DBADRM Cn1c2[nH]nc(NCc3c[nH]c(C(=O)[O-])c3)c2c(=O)n(C)c1=O ZINC001600894250 1017740725 /nfs/dbraw/zinc/74/07/25/1017740725.db2.gz CNAMCQDMYSPZCT-UHFFFAOYSA-N -1 0 318.293 -0.401 20 0 DBADRM Cn1c(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c[nH]c1=O ZINC001600900227 1017740811 /nfs/dbraw/zinc/74/08/11/1017740811.db2.gz MBZLGPFKUSMKOS-BDAKNGLRSA-N -1 0 322.321 -0.965 20 0 DBADRM Cn1c(=O)cccc1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600900151 1017741322 /nfs/dbraw/zinc/74/13/22/1017741322.db2.gz JDBHQMWIXCORKG-NXEZZACHSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1c2ccccc2n(CC(=O)NC[C@H](O)CC(=O)[O-])c1=O ZINC001600895187 1017741395 /nfs/dbraw/zinc/74/13/95/1017741395.db2.gz XILFQNOICRKIQP-SECBINFHSA-N -1 0 307.306 -0.708 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NCC2(CC(=O)[O-])CCCC2)c1=O ZINC001600896481 1017741537 /nfs/dbraw/zinc/74/15/37/1017741537.db2.gz LSUWVUSHTITREZ-UHFFFAOYSA-N -1 0 323.349 -0.302 20 0 DBADRM Cn1c(=O)cccc1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600899617 1017741645 /nfs/dbraw/zinc/74/16/45/1017741645.db2.gz PERWCPQLZJXCCC-UWVGGRQHSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1c(=O)oc2c1cccc2C(=O)NCC(=O)NCC(=O)[O-] ZINC001600897345 1017741671 /nfs/dbraw/zinc/74/16/71/1017741671.db2.gz SSFJCBPZSXDUIU-UHFFFAOYSA-N -1 0 307.262 -0.938 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])c1=O ZINC001600896155 1017742011 /nfs/dbraw/zinc/74/20/11/1017742011.db2.gz GECAWOYHDQQJLD-OTYXRUKQSA-N -1 0 307.306 -0.987 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC001600905583 1017742738 /nfs/dbraw/zinc/74/27/38/1017742738.db2.gz OEOZGROKFZVIFK-UHFFFAOYSA-N -1 0 322.365 -0.255 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001600914908 1017742901 /nfs/dbraw/zinc/74/29/01/1017742901.db2.gz RIIJXIPVGGWEGF-SDBXPKJASA-N -1 0 309.326 -0.083 20 0 DBADRM Cn1c(=O)cc(Cn2nc(C(=O)[O-])c3c2CCCC3)n(C)c1=O ZINC001600918148 1017743184 /nfs/dbraw/zinc/74/31/84/1017743184.db2.gz NWRZDQHXDWNXIA-UHFFFAOYSA-N -1 0 318.333 -0.094 20 0 DBADRM Cn1c(CN2CCO[C@@H](CS(C)(=O)=O)C2)ccc1C(=O)[O-] ZINC001600914956 1017743500 /nfs/dbraw/zinc/74/35/00/1017743500.db2.gz PTKSQFLCIKWWOI-LLVKDONJSA-N -1 0 316.379 -0.031 20 0 DBADRM Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001600915226 1017743596 /nfs/dbraw/zinc/74/35/96/1017743596.db2.gz WAQOVZUNYHZZNS-CYBMUJFWSA-N -1 0 311.317 -0.060 20 0 DBADRM Cn1c([C@@H]2CCCCC(=O)N2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001600910313 1017743849 /nfs/dbraw/zinc/74/38/49/1017743849.db2.gz IWFISBNQZKOBSC-UWVGGRQHSA-N -1 0 323.353 -0.164 20 0 DBADRM Cn1c(N2CC[C@](F)(C(=O)[O-])C2)nnc1[C@@]1(O)CCOC1 ZINC001600919792 1017744858 /nfs/dbraw/zinc/74/48/58/1017744858.db2.gz GOKWAYWVWCPIRQ-VXGBXAGGSA-N -1 0 300.290 -0.574 20 0 DBADRM Cn1cc(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c(=O)[nH]c1=O ZINC001600928096 1017745016 /nfs/dbraw/zinc/74/50/16/1017745016.db2.gz AMMGCFGAHNCEOQ-OTYXRUKQSA-N -1 0 307.306 -0.045 20 0 DBADRM Cn1c(=O)cc(COC(=O)c2cc(C(=O)[O-])no2)n(C)c1=O ZINC001600919113 1017745064 /nfs/dbraw/zinc/74/50/64/1017745064.db2.gz MMBSKGIBLKKZLY-UHFFFAOYSA-N -1 0 309.234 -0.873 20 0 DBADRM Cn1cc(C(=O)CNS(=O)(=O)c2occc2C(=O)[O-])cn1 ZINC001600928281 1017745092 /nfs/dbraw/zinc/74/50/92/1017745092.db2.gz DPOBSXDTYYASEC-UHFFFAOYSA-N -1 0 313.291 -0.128 20 0 DBADRM Cn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1[C@]1(O)CCSC1 ZINC001600920201 1017745950 /nfs/dbraw/zinc/74/59/50/1017745950.db2.gz JMYMQZGONZVHIU-PELKAZGASA-N -1 0 314.367 -0.571 20 0 DBADRM Cn1c(N2CCO[C@H](CC(=O)[O-])C2)nnc1[C@@]1(O)CCOC1 ZINC001600920487 1017746024 /nfs/dbraw/zinc/74/60/24/1017746024.db2.gz KJICENXRFFIECB-NOZJJQNGSA-N -1 0 312.326 -0.897 20 0 DBADRM Cn1cc(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cn1 ZINC001600928169 1017746148 /nfs/dbraw/zinc/74/61/48/1017746148.db2.gz FLVPUKQFTXXLLB-VXGBXAGGSA-N -1 0 320.349 -0.185 20 0 DBADRM Cn1c(N2CCO[C@@H](CC(=O)[O-])C2)nnc1[C@]1(O)CCOC1 ZINC001600920493 1017746172 /nfs/dbraw/zinc/74/61/72/1017746172.db2.gz KJICENXRFFIECB-ZANVPECISA-N -1 0 312.326 -0.897 20 0 DBADRM Cn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1[C@]1(O)CCSC1 ZINC001600920206 1017746184 /nfs/dbraw/zinc/74/61/84/1017746184.db2.gz JMYMQZGONZVHIU-UFBFGSQYSA-N -1 0 314.367 -0.571 20 0 DBADRM Cn1cc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)ccc1=O ZINC001600929198 1017746806 /nfs/dbraw/zinc/74/68/06/1017746806.db2.gz YMBRTWRRBSFFEL-CQSZACIVSA-N -1 0 305.290 -0.169 20 0 DBADRM Cn1cc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c(=O)[nH]c1=O ZINC001600928765 1017747823 /nfs/dbraw/zinc/74/78/23/1017747823.db2.gz OFVJJQPXOWPDSP-VIFPVBQESA-N -1 0 307.306 -0.187 20 0 DBADRM Cn1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)ccc1=O ZINC001600931044 1017747859 /nfs/dbraw/zinc/74/78/59/1017747859.db2.gz FSPXYRKQIIKDOH-WDEREUQCSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]c1=O ZINC001600930580 1017748172 /nfs/dbraw/zinc/74/81/72/1017748172.db2.gz XMSUFQYLIUADMI-UYXSQOIJSA-N -1 0 322.321 -0.777 20 0 DBADRM Cn1cc(C(=O)N[C@@H](C(=O)[O-])c2cccnc2)c(=O)n(C)c1=O ZINC001600928826 1017748371 /nfs/dbraw/zinc/74/83/71/1017748371.db2.gz MICSLSMUOAZFFC-SNVBAGLBSA-N -1 0 318.289 -0.965 20 0 DBADRM Cn1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]c1=O ZINC001600929723 1017748398 /nfs/dbraw/zinc/74/83/98/1017748398.db2.gz CQBIZVPJGBXIQI-DTWKUNHWSA-N -1 0 322.321 -0.965 20 0 DBADRM Cn1cc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c(=O)[nH]c1=O ZINC001600932756 1017748745 /nfs/dbraw/zinc/74/87/45/1017748745.db2.gz PRMIRFKPBWUQQN-UHFFFAOYSA-N -1 0 321.293 -0.246 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)n(C)c1=O ZINC001600931586 1017749111 /nfs/dbraw/zinc/74/91/11/1017749111.db2.gz ZXLKZSHHOQLJLR-QMMMGPOBSA-N -1 0 319.321 -0.117 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cn1 ZINC001600942206 1017749681 /nfs/dbraw/zinc/74/96/81/1017749681.db2.gz BVYVIGSNGYKRKG-FBIMIBRVSA-N -1 0 312.326 -0.758 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)N3CCOC[C@H]3C(=O)[O-])C2)cn1 ZINC001600945161 1017750293 /nfs/dbraw/zinc/75/02/93/1017750293.db2.gz KVDIGWGRIJNUJL-WDEREUQCSA-N -1 0 308.294 -0.775 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])cn1 ZINC001600942568 1017750582 /nfs/dbraw/zinc/75/05/82/1017750582.db2.gz JVYFELXKNKLGDE-KOLCDFICSA-N -1 0 313.310 -0.824 20 0 DBADRM Cn1cc([C@@H](O)C(=O)NCC2(CC(=O)[O-])CCOCC2)cn1 ZINC001600942501 1017750676 /nfs/dbraw/zinc/75/06/76/1017750676.db2.gz IJSDCMUNHTUCRR-GFCCVEGCSA-N -1 0 311.338 -0.159 20 0 DBADRM Cn1cc(C(C)(C)NS(=O)(=O)c2n[nH]cc2C(=O)[O-])nn1 ZINC001600940164 1017750827 /nfs/dbraw/zinc/75/08/27/1017750827.db2.gz UNLFMHFVQKZSLQ-UHFFFAOYSA-N -1 0 314.327 -0.550 20 0 DBADRM Cn1cc([C@]2(C)NC(=O)N(CC(=O)C(C)(C)C(=O)[O-])C2=O)cn1 ZINC001600942931 1017750840 /nfs/dbraw/zinc/75/08/40/1017750840.db2.gz UFSJRDGNQVXGIN-AWEZNQCLSA-N -1 0 322.321 -0.133 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)N3CCOC[C@H]3C(=O)[O-])C2)cn1 ZINC001600945160 1017750891 /nfs/dbraw/zinc/75/08/91/1017750891.db2.gz KVDIGWGRIJNUJL-QWRGUYRKSA-N -1 0 308.294 -0.775 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cn1 ZINC001600946544 1017750989 /nfs/dbraw/zinc/75/09/89/1017750989.db2.gz HSYLWDVUYIRFPL-NSHDSACASA-N -1 0 321.337 -0.022 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)cn1 ZINC001600949082 1017751611 /nfs/dbraw/zinc/75/16/11/1017751611.db2.gz XQGUSVANABOVEA-YIZRAAEISA-N -1 0 303.265 -0.594 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)C2)cn1 ZINC001600947244 1017752559 /nfs/dbraw/zinc/75/25/59/1017752559.db2.gz VSTVARRXSBLUAE-QRTLGDNMSA-N -1 0 322.321 -0.793 20 0 DBADRM Cn1cc(CCNC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cn1 ZINC001600950625 1017752869 /nfs/dbraw/zinc/75/28/69/1017752869.db2.gz HVUQJGFHBJOYGN-LBPRGKRZSA-N -1 0 310.354 -0.170 20 0 DBADRM Cn1cc(CCC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cn1 ZINC001600949475 1017753356 /nfs/dbraw/zinc/75/33/56/1017753356.db2.gz QJTYUMPTOGWDED-NSHDSACASA-N -1 0 308.338 -0.456 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)cc1C(=O)[O-] ZINC001600958719 1017754162 /nfs/dbraw/zinc/75/41/62/1017754162.db2.gz JLDNEKZJLHIEMZ-CQSZACIVSA-N -1 0 322.321 -0.614 20 0 DBADRM Cn1cc(Cn2cc(CN3CCCC[C@@H]3C(=O)[O-])nn2)nn1 ZINC001600957508 1017754451 /nfs/dbraw/zinc/75/44/51/1017754451.db2.gz BZTYTXXBLIIGQY-GFCCVEGCSA-N -1 0 305.342 -0.106 20 0 DBADRM Cn1cc(CNCC(=O)NCC(=O)[O-])c(Br)n1 ZINC001600955331 1017754478 /nfs/dbraw/zinc/75/44/78/1017754478.db2.gz HXOFOFFYVOGYPL-UHFFFAOYSA-N -1 0 305.132 -0.527 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)nn1 ZINC001600958971 1017754775 /nfs/dbraw/zinc/75/47/75/1017754775.db2.gz MSYAFTNRMNIQHF-SECBINFHSA-N -1 0 315.289 -0.031 20 0 DBADRM Cn1cc(N2CCN(CCc3cn(CC(=O)[O-])nn3)CC2)cn1 ZINC001600959779 1017754807 /nfs/dbraw/zinc/75/48/07/1017754807.db2.gz ZDUPAHRSAXDBCD-UHFFFAOYSA-N -1 0 319.369 -0.539 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCn3cncc3C2)cc1C(=O)[O-] ZINC001600959841 1017755468 /nfs/dbraw/zinc/75/54/68/1017755468.db2.gz UXYZGSAOLQUZBE-UHFFFAOYSA-N -1 0 317.305 -0.099 20 0 DBADRM Cn1cc(CNS(=O)(=O)c2csnc2C(=O)[O-])nn1 ZINC001600955091 1017755522 /nfs/dbraw/zinc/75/55/22/1017755522.db2.gz VMBILNUZAWTSDI-UHFFFAOYSA-N -1 0 303.325 -0.552 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)C2=O)cn1 ZINC001600958415 1017755647 /nfs/dbraw/zinc/75/56/47/1017755647.db2.gz KQQCYEYTADRNQW-MXWKQRLJSA-N -1 0 322.321 -0.726 20 0 DBADRM Cn1cc(N2CCN(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])CC2)cn1 ZINC001600959190 1017755680 /nfs/dbraw/zinc/75/56/80/1017755680.db2.gz PKEALLXIVQQIFP-ZYHUDNBSSA-N -1 0 307.354 -0.028 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)NCC3(C(=O)[O-])CC3)CC2=O)cn1 ZINC001600961803 1017756114 /nfs/dbraw/zinc/75/61/14/1017756114.db2.gz MFITZJOFHVJCBS-SECBINFHSA-N -1 0 306.322 -0.246 20 0 DBADRM Cn1cc(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1C(=O)[O-] ZINC001600962405 1017756444 /nfs/dbraw/zinc/75/64/44/1017756444.db2.gz BTWJFOLFZHFTKJ-SECBINFHSA-N -1 0 321.293 -0.509 20 0 DBADRM Cn1cc(NC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)nn1 ZINC001600963208 1017757693 /nfs/dbraw/zinc/75/76/93/1017757693.db2.gz WEHXWYUOPLTVQA-ZETCQYMHSA-N -1 0 306.286 -0.416 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)NC3(C(=O)[O-])CC3)CCC2=O)cn1 ZINC001600962186 1017757819 /nfs/dbraw/zinc/75/78/19/1017757819.db2.gz RDUVJKZXNHRERK-SECBINFHSA-N -1 0 306.322 -0.104 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)Nc3[nH]cnc3C(=O)[O-])CC2=O)cn1 ZINC001600962357 1017758408 /nfs/dbraw/zinc/75/84/08/1017758408.db2.gz VZWPFDICBMWYCN-ZETCQYMHSA-N -1 0 318.293 -0.167 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@H](NC(N)=O)C2)cc1C(=O)[O-] ZINC001600967230 1017758439 /nfs/dbraw/zinc/75/84/39/1017758439.db2.gz YJHXIQRDEDEYBJ-ZETCQYMHSA-N -1 0 316.339 -0.845 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N3CC[C@H]3C(=O)[O-])CCC2=O)cn1 ZINC001600962185 1017758528 /nfs/dbraw/zinc/75/85/28/1017758528.db2.gz RDOKJPKMKVIYST-ONGXEEELSA-N -1 0 306.322 -0.151 20 0 DBADRM Cn1cc(NC(=O)N(CCO)CCOCCO)cc1C(=O)[O-] ZINC001600963116 1017758599 /nfs/dbraw/zinc/75/85/99/1017758599.db2.gz KXYRGQAANPLROD-UHFFFAOYSA-N -1 0 315.326 -0.442 20 0 DBADRM Cn1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c1 ZINC001600971025 1017759130 /nfs/dbraw/zinc/75/91/30/1017759130.db2.gz KFLFLEQYUJDNFZ-SNVBAGLBSA-N -1 0 300.336 -0.261 20 0 DBADRM Cn1cc(S(=O)(=O)NCCOC(=O)C2CC2)cc1C(=O)[O-] ZINC001600968376 1017759393 /nfs/dbraw/zinc/75/93/93/1017759393.db2.gz IUHVGPGEJIXJQX-UHFFFAOYSA-N -1 0 316.335 -0.045 20 0 DBADRM Cn1ccc(-n2cc(CN3C[C@H](C(=O)[O-])C[C@H](O)C3)nn2)n1 ZINC001600971904 1017759961 /nfs/dbraw/zinc/75/99/61/1017759961.db2.gz DPDJPCRYQOOTRB-KOLCDFICSA-N -1 0 306.326 -0.732 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001498376781 1017760703 /nfs/dbraw/zinc/76/07/03/1017760703.db2.gz SJDWBIMBWXDFEE-ZETCQYMHSA-N -1 0 309.330 -0.800 20 0 DBADRM Cn1ccc(-n2cc(CN3C[C@@H](O)C[C@H](C(=O)[O-])C3)nn2)n1 ZINC001600971906 1017761420 /nfs/dbraw/zinc/76/14/20/1017761420.db2.gz DPDJPCRYQOOTRB-ONGXEEELSA-N -1 0 306.326 -0.732 20 0 DBADRM Cn1ccc(-n2cc(CN3CCO[C@@H](CC(=O)[O-])C3)nn2)n1 ZINC001600972282 1017761695 /nfs/dbraw/zinc/76/16/95/1017761695.db2.gz UXGPGVGDERTITC-NSHDSACASA-N -1 0 306.326 -0.324 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](CCC2OCCO2)C(=O)[O-])cn1 ZINC001600968093 1017761817 /nfs/dbraw/zinc/76/18/17/1017761817.db2.gz OJKCZRSAXPCIMW-SECBINFHSA-N -1 0 319.339 -0.695 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])cn1 ZINC001600968094 1017761973 /nfs/dbraw/zinc/76/19/73/1017761973.db2.gz OJKCZRSAXPCIMW-VIFPVBQESA-N -1 0 319.339 -0.695 20 0 DBADRM Cn1ccc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001600972746 1017763086 /nfs/dbraw/zinc/76/30/86/1017763086.db2.gz UWIKWVMYLAWSAW-JAFKPYBISA-N -1 0 306.322 -0.457 20 0 DBADRM Cn1cccc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1=O ZINC001600978207 1017763634 /nfs/dbraw/zinc/76/36/34/1017763634.db2.gz ONPMODFSULFOFH-QWRGUYRKSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1cccc1C(=O)NC[C@H](CO)Nc1ncc(C(=O)[O-])cn1 ZINC001600978761 1017764031 /nfs/dbraw/zinc/76/40/31/1017764031.db2.gz QSHVBLHMZQURTK-SNVBAGLBSA-N -1 0 319.321 -0.284 20 0 DBADRM Cn1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600972711 1017764796 /nfs/dbraw/zinc/76/47/96/1017764796.db2.gz RTCNQQUGVFXSRO-XWLWVQCSSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1ccc(NC(=O)NCCn2cc(C(=O)[O-])nn2)cc1=O ZINC001600974618 1017765090 /nfs/dbraw/zinc/76/50/90/1017765090.db2.gz BSHDMONWFHFRAC-UHFFFAOYSA-N -1 0 306.282 -0.503 20 0 DBADRM Cn1ccc([C@H](NC(=O)c2nnn(C(C)(C)C)n2)C(=O)[O-])n1 ZINC001600974401 1017765329 /nfs/dbraw/zinc/76/53/29/1017765329.db2.gz DSNWRUPVOCZGOJ-QMMMGPOBSA-N -1 0 307.314 -0.283 20 0 DBADRM Cn1cccc1C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600978521 1017765468 /nfs/dbraw/zinc/76/54/68/1017765468.db2.gz FTDNTZOCJOVHFZ-QWRGUYRKSA-N -1 0 305.334 -0.066 20 0 DBADRM Cn1ccc([C@H](NC(=O)c2cccc(C(N)=O)n2)C(=O)[O-])n1 ZINC001600973566 1017765937 /nfs/dbraw/zinc/76/59/37/1017765937.db2.gz SLQFUVPAUQBXMN-JTQLQIEISA-N -1 0 303.278 -0.530 20 0 DBADRM Cn1ccnc(N2CCC(n3cc(C(=O)[O-])nn3)CC2)c1=O ZINC001600981006 1017766755 /nfs/dbraw/zinc/76/67/55/1017766755.db2.gz OIOGMCCYQMHCRJ-UHFFFAOYSA-N -1 0 304.310 -0.089 20 0 DBADRM Cn1ccnc1[C@@H]1C[C@@H](NC(=O)N2CC(O)(C(=O)[O-])C2)CCO1 ZINC001600984484 1017766918 /nfs/dbraw/zinc/76/69/18/1017766918.db2.gz MBVAHLWLCGHJIX-UWVGGRQHSA-N -1 0 324.337 -0.519 20 0 DBADRM Cn1ccnc1CCC(=O)NCCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001600985385 1017767124 /nfs/dbraw/zinc/76/71/24/1017767124.db2.gz JWUZPQZKWLGHET-QWRGUYRKSA-N -1 0 322.365 -0.304 20 0 DBADRM Cn1ccnc(NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c1=O ZINC001600981442 1017767661 /nfs/dbraw/zinc/76/76/61/1017767661.db2.gz VMIMKPXMYCILHL-VIFPVBQESA-N -1 0 310.310 -0.530 20 0 DBADRM Cn1ccnc1COCC(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001600987071 1017768024 /nfs/dbraw/zinc/76/80/24/1017768024.db2.gz LQQGRJNUXZRNDG-GHMZBOCLSA-N -1 0 311.338 -0.210 20 0 DBADRM Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001600984687 1017768054 /nfs/dbraw/zinc/76/80/54/1017768054.db2.gz RVEWDWWJSLPQQP-BDAKNGLRSA-N -1 0 312.301 -0.725 20 0 DBADRM Cn1ccn2c(CN3CCOC[C@H]3CC(=O)[O-])nnc2c1=O ZINC001600980946 1017768922 /nfs/dbraw/zinc/76/89/22/1017768922.db2.gz LVTFTURCEKSALH-SECBINFHSA-N -1 0 307.310 -0.897 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N[C@@H](CC(=O)[O-])C2CC2)c1=O ZINC001600979129 1017769407 /nfs/dbraw/zinc/76/94/07/1017769407.db2.gz BFVDIMRVWMQZCD-JTQLQIEISA-N -1 0 307.306 -0.307 20 0 DBADRM Cn1cnc(CCNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)c1 ZINC001600988714 1017770729 /nfs/dbraw/zinc/77/07/29/1017770729.db2.gz AEQCCFMNAAQHMI-NSHDSACASA-N -1 0 308.338 -0.598 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1Cl ZINC001600991178 1017771745 /nfs/dbraw/zinc/77/17/45/1017771745.db2.gz VHYGHIBCOKZGHU-NKWVEPMBSA-N -1 0 323.758 -0.328 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2C[C@H](Nc3ncc(C(=O)[O-])cn3)C2)n1 ZINC001600987746 1017771890 /nfs/dbraw/zinc/77/18/90/1017771890.db2.gz UBSRXIKMSJGFDV-KYZUINATSA-N -1 0 317.309 -0.324 20 0 DBADRM Cn1cnc(C(=O)NC/C=C\CNc2ncc(C(=O)[O-])cn2)n1 ZINC001600987311 1017772543 /nfs/dbraw/zinc/77/25/43/1017772543.db2.gz MYZAPOOVPAQHOM-IHWYPQMZSA-N -1 0 317.309 -0.299 20 0 DBADRM Cn1cncc1C(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001600992229 1017772590 /nfs/dbraw/zinc/77/25/90/1017772590.db2.gz FTADGFZKKGSAJH-SNVBAGLBSA-N -1 0 316.321 -0.083 20 0 DBADRM Cn1ccc([C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C(=O)[O-])n1 ZINC001600989459 1017772778 /nfs/dbraw/zinc/77/27/78/1017772778.db2.gz MSWSRFMULDHVKY-HQJQHLMTSA-N -1 0 304.310 -0.100 20 0 DBADRM Cn1cnnc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001600995120 1017775217 /nfs/dbraw/zinc/77/52/17/1017775217.db2.gz JHHUJHVBEFIWIO-DTWKUNHWSA-N -1 0 300.340 -0.454 20 0 DBADRM Cn1cnn(CC(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c1=O ZINC001600995025 1017775589 /nfs/dbraw/zinc/77/55/89/1017775589.db2.gz CDTVSYIZXUGMRF-LLVKDONJSA-N -1 0 310.354 -0.021 20 0 DBADRM Cn1cnn(CC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1=O ZINC001600995674 1017778025 /nfs/dbraw/zinc/77/80/25/1017778025.db2.gz NHXNYICXNLBTDA-JTQLQIEISA-N -1 0 310.354 -0.069 20 0 DBADRM Cn1cnn(CCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c1=O ZINC001600996721 1017778773 /nfs/dbraw/zinc/77/87/73/1017778773.db2.gz ZAAQXVWVMVVXEC-HOSYDEDBSA-N -1 0 308.338 -0.316 20 0 DBADRM Cn1cnnc1CN1CC=C(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600996380 1017779681 /nfs/dbraw/zinc/77/96/81/1017779681.db2.gz PBJDYCAKNZMWPP-NWDGAFQWSA-N -1 0 319.365 -0.216 20 0 DBADRM Cn1cnn(CCC(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)c1=O ZINC001600996401 1017779847 /nfs/dbraw/zinc/77/98/47/1017779847.db2.gz UHHTUKFINYHHSU-GFCCVEGCSA-N -1 0 320.305 -0.380 20 0 DBADRM Cn1nc(Br)cc1C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001600998441 1017780270 /nfs/dbraw/zinc/78/02/70/1017780270.db2.gz ZEDVKSROHVJQCT-IYSWYEEDSA-N -1 0 318.127 -0.157 20 0 DBADRM Cn1nc(Br)cc1C(=O)OCC(=O)NCC(=O)[O-] ZINC001600998139 1017780347 /nfs/dbraw/zinc/78/03/47/1017780347.db2.gz KNILMHJCMZOACQ-UHFFFAOYSA-N -1 0 320.099 -0.460 20 0 DBADRM Cn1cnnc1CN1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600996718 1017780481 /nfs/dbraw/zinc/78/04/81/1017780481.db2.gz UYYGLBNQXKEHPU-GHMZBOCLSA-N -1 0 307.354 -0.430 20 0 DBADRM Cn1cnnc1CN1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600996720 1017780650 /nfs/dbraw/zinc/78/06/50/1017780650.db2.gz UYYGLBNQXKEHPU-QWRGUYRKSA-N -1 0 307.354 -0.430 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001601000961 1017781191 /nfs/dbraw/zinc/78/11/91/1017781191.db2.gz XBRCJIKVKRXAIA-RKDXNWHRSA-N -1 0 306.322 -0.141 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001601001677 1017781288 /nfs/dbraw/zinc/78/12/88/1017781288.db2.gz UMTBTFXFFHHDRI-UHFFFAOYSA-N -1 0 321.293 -0.799 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)N1CCO[C@H](CC(N)=O)C1 ZINC001601004144 1017782007 /nfs/dbraw/zinc/78/20/07/1017782007.db2.gz JXBJECSOENGXDK-SSDOTTSWSA-N -1 0 311.298 -0.774 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC001601001681 1017782490 /nfs/dbraw/zinc/78/24/90/1017782490.db2.gz UVTGYNDMPXTVOQ-AOOOYVTPSA-N -1 0 308.338 -0.289 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC001601001255 1017782565 /nfs/dbraw/zinc/78/25/65/1017782565.db2.gz YSVFOYYCQFPADK-UHFFFAOYSA-N -1 0 315.351 -0.327 20 0 DBADRM Cn1nc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1C=O ZINC001600999599 1017782778 /nfs/dbraw/zinc/78/27/78/1017782778.db2.gz RFMIHZKTHBFOFQ-UHFFFAOYSA-N -1 0 308.338 -0.146 20 0 DBADRM Cn1nc(NC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC001601014951 1017783176 /nfs/dbraw/zinc/78/31/76/1017783176.db2.gz CLCIHXJRLSICLW-LLVKDONJSA-N -1 0 316.339 -0.183 20 0 DBADRM Cn1[nH]c(=O)c2c1CN([C@H]1CCN(CCC(=O)[O-])C1=O)CC2 ZINC001601015420 1017783342 /nfs/dbraw/zinc/78/33/42/1017783342.db2.gz DBBMCMAYBUVPGN-JTQLQIEISA-N -1 0 308.338 -0.441 20 0 DBADRM Cn1nc(NC(=O)[C@@]2(F)CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC001601012355 1017783496 /nfs/dbraw/zinc/78/34/96/1017783496.db2.gz ZAWIMWUZZIYTGB-SNVBAGLBSA-N -1 0 305.287 -0.416 20 0 DBADRM Cn1nc(NC(=O)CN2CCCCS2(=O)=O)cc1C(=O)[O-] ZINC001601013249 1017784283 /nfs/dbraw/zinc/78/42/83/1017784283.db2.gz RGFZFUUBIRDRII-UHFFFAOYSA-N -1 0 316.339 -0.518 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCOC2(CCC2)C1 ZINC001601021922 1017784812 /nfs/dbraw/zinc/78/48/12/1017784812.db2.gz NVGBSRXYIINXET-UHFFFAOYSA-N -1 0 322.321 -0.162 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1CCCS(=O)(=O)CC1 ZINC001601023138 1017784827 /nfs/dbraw/zinc/78/48/27/1017784827.db2.gz NPHDZWHQWRZYPJ-UHFFFAOYSA-N -1 0 316.339 -0.229 20 0 DBADRM Cn1ncc(C(F)(F)F)c1C(=O)NCC(=O)NCC(=O)[O-] ZINC001601024963 1017785153 /nfs/dbraw/zinc/78/51/53/1017785153.db2.gz KVCXLYXAWZRBJT-UHFFFAOYSA-N -1 0 308.216 -0.631 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)NCCS(=O)(=O)C1CC1 ZINC001601023967 1017785382 /nfs/dbraw/zinc/78/53/82/1017785382.db2.gz PLOUXLDXBRVHHR-UHFFFAOYSA-N -1 0 316.339 -0.183 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N[C@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001601025615 1017786024 /nfs/dbraw/zinc/78/60/24/1017786024.db2.gz XNMBXTSZKBZLQV-LETLQTKMSA-N -1 0 312.326 -0.096 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC001601023787 1017786521 /nfs/dbraw/zinc/78/65/21/1017786521.db2.gz WIQXGKXLLAMWLX-SSDOTTSWSA-N -1 0 308.298 -0.640 20 0 DBADRM Cn1ncc(CCCNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)n1 ZINC001601025991 1017787199 /nfs/dbraw/zinc/78/71/99/1017787199.db2.gz ADGFRVGSGLZXJQ-UHFFFAOYSA-N -1 0 314.327 -0.853 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC001601022494 1017787380 /nfs/dbraw/zinc/78/73/80/1017787380.db2.gz AJDKVTYGKUHYAN-SECBINFHSA-N -1 0 309.326 -0.599 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)N[C@@H](Cn1ccnc1)C(=O)[O-])CC2 ZINC001601030538 1017788386 /nfs/dbraw/zinc/78/83/86/1017788386.db2.gz BYVGVVRUDZEORR-JQWIXIFHSA-N -1 0 317.349 -0.009 20 0 DBADRM Cn1nccc1[C@@H](CO)N[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001601031470 1017788791 /nfs/dbraw/zinc/78/87/91/1017788791.db2.gz FNTVHSWMPNPSKM-WDEREUQCSA-N -1 0 310.354 -0.491 20 0 DBADRM Cn1ncc(N2CCC[C@H]2C(=O)NCC(=O)[O-])c(Cl)c1=O ZINC001601028553 1017788861 /nfs/dbraw/zinc/78/88/61/1017788861.db2.gz LGOWHCNAMPYKLC-ZETCQYMHSA-N -1 0 314.729 -0.397 20 0 DBADRM Cn1ncc2c1nc(CN1CCO[C@@H](CC(=O)[O-])C1)[nH]c2=O ZINC001601029572 1017789032 /nfs/dbraw/zinc/78/90/32/1017789032.db2.gz ITNGEOLIYRUGCU-QMMMGPOBSA-N -1 0 307.310 -0.256 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)N[C@H](Cn1ccnc1)C(=O)[O-])CC2 ZINC001601030536 1017789236 /nfs/dbraw/zinc/78/92/36/1017789236.db2.gz BYVGVVRUDZEORR-CMPLNLGQSA-N -1 0 317.349 -0.009 20 0 DBADRM Cn1ncc(NC(=O)Cn2cccc(C(=O)[O-])c2=O)cc1=O ZINC001601028843 1017790471 /nfs/dbraw/zinc/79/04/71/1017790471.db2.gz OSEHBXPKGOBKMC-UHFFFAOYSA-N -1 0 304.262 -0.721 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)N1CC[C@H]1C(=O)[O-])[nH]c2=O ZINC001601030151 1017791399 /nfs/dbraw/zinc/79/13/99/1017791399.db2.gz YWGLVYCZAUSDIO-QMMMGPOBSA-N -1 0 305.294 -0.313 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001601032952 1017791729 /nfs/dbraw/zinc/79/17/29/1017791729.db2.gz NWNZASQUJIXCHQ-XCBNKYQSSA-N -1 0 320.309 -0.778 20 0 DBADRM Cn1nccc1C(=O)NC[C@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001601032269 1017792352 /nfs/dbraw/zinc/79/23/52/1017792352.db2.gz ZEQOLDXOKPSTED-VIFPVBQESA-N -1 0 320.309 -0.889 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC001601033251 1017792425 /nfs/dbraw/zinc/79/24/25/1017792425.db2.gz YVVWAVRCXJXTRZ-SNVBAGLBSA-N -1 0 303.340 -0.513 20 0 DBADRM Cn1ncc2c1CN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C2 ZINC001601032414 1017793115 /nfs/dbraw/zinc/79/31/15/1017793115.db2.gz ADHHTHNSBWZGOT-JTQLQIEISA-N -1 0 306.322 -0.415 20 0 DBADRM Cn1[nH]cnc1=NC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001601039399 1017794049 /nfs/dbraw/zinc/79/40/49/1017794049.db2.gz GSVJXBGPILBDQD-CQSZACIVSA-N -1 0 323.353 -0.149 20 0 DBADRM Cn1nccc1[C@H]1COCCN1CN1C[C@@H](C(=O)[O-])OC1=O ZINC001601038405 1017795083 /nfs/dbraw/zinc/79/50/83/1017795083.db2.gz VAPDWBPXBACULQ-MNOVXSKESA-N -1 0 310.310 -0.344 20 0 DBADRM Cn1nccc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001601038072 1017795381 /nfs/dbraw/zinc/79/53/81/1017795381.db2.gz OVNFTAXKDZPXFV-FSZOTQKASA-N -1 0 320.349 -0.553 20 0 DBADRM Cn1nccc1[C@@H]1CN(Cc2cn(CC(=O)[O-])nn2)CCO1 ZINC001601037685 1017795631 /nfs/dbraw/zinc/79/56/31/1017795631.db2.gz KKELAAHULDKMBB-LBPRGKRZSA-N -1 0 306.326 -0.330 20 0 DBADRM Cn1nccc1CC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001601038490 1017796615 /nfs/dbraw/zinc/79/66/15/1017796615.db2.gz YHVPIPGKYWZXNK-VXGBXAGGSA-N -1 0 320.349 -0.742 20 0 DBADRM Cn1nccc1CC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601037910 1017796635 /nfs/dbraw/zinc/79/66/35/1017796635.db2.gz NDIFQBGFKYFNMR-RYUDHWBXSA-N -1 0 320.349 -0.646 20 0 DBADRM Cn1nnc2ccc(C(=O)NCCn3cc(C(=O)[O-])nn3)cc21 ZINC001601042104 1017796973 /nfs/dbraw/zinc/79/69/73/1017796973.db2.gz HQYBHCWSFXJWCF-UHFFFAOYSA-N -1 0 315.293 -0.312 20 0 DBADRM Cn1nnc2ccc(C(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)cc21 ZINC001601041289 1017797967 /nfs/dbraw/zinc/79/79/67/1017797967.db2.gz APHYHMTZQOSPGQ-UWVGGRQHSA-N -1 0 304.306 -0.124 20 0 DBADRM Cn1nnc(CNCC2(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CCCC2)n1 ZINC001601040615 1017798538 /nfs/dbraw/zinc/79/85/38/1017798538.db2.gz LQHKUEQIMHAVHL-UWVGGRQHSA-N -1 0 322.369 -0.551 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001601041268 1017799026 /nfs/dbraw/zinc/79/90/26/1017799026.db2.gz ZSIRDXWJLZMFEK-SECBINFHSA-N -1 0 315.293 -0.488 20 0 DBADRM Cn1nncc1CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001601042353 1017799967 /nfs/dbraw/zinc/79/99/67/1017799967.db2.gz APEDSSGLSKNKLA-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM Cn1nncc1CN1CCC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601043429 1017800269 /nfs/dbraw/zinc/80/02/69/1017800269.db2.gz TXHNLKYJUHRWBY-QWHCGFSZSA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1nnnc1CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001601044226 1017800392 /nfs/dbraw/zinc/80/03/92/1017800392.db2.gz JPNJUUNOPUAFSI-UHFFFAOYSA-N -1 0 318.293 -0.794 20 0 DBADRM Cn1nncc1S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-] ZINC001601044623 1017800441 /nfs/dbraw/zinc/80/04/41/1017800441.db2.gz HXJPWKXMTJMUFT-UHFFFAOYSA-N -1 0 316.261 -0.157 20 0 DBADRM Cn1nnc2cc(C(=O)N3CCC(O)(C(=O)[O-])CC3)cnc21 ZINC001601044056 1017800648 /nfs/dbraw/zinc/80/06/48/1017800648.db2.gz ZABKJKMFERRPBJ-UHFFFAOYSA-N -1 0 305.294 -0.585 20 0 DBADRM Cn1nnc2cc(C(=O)N3CCN(CC(=O)[O-])CC3)cnc21 ZINC001601042943 1017801106 /nfs/dbraw/zinc/80/11/06/1017801106.db2.gz JQMIICBDMSECKR-UHFFFAOYSA-N -1 0 304.310 -0.794 20 0 DBADRM Cn1nnnc1CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC001601046587 1017801947 /nfs/dbraw/zinc/80/19/47/1017801947.db2.gz ODWILZULCVVCRA-QWRGUYRKSA-N -1 0 322.369 -0.599 20 0 DBADRM Cn1nnnc1CNC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCCC1 ZINC001601047239 1017801978 /nfs/dbraw/zinc/80/19/78/1017801978.db2.gz ZXNCEJWKNKOFMN-ZJUUUORDSA-N -1 0 322.369 -0.551 20 0 DBADRM Cn1nnnc1SCCC(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001601047012 1017802103 /nfs/dbraw/zinc/80/21/03/1017802103.db2.gz XDDWXKJJBNZGIP-YFKPBYRVSA-N -1 0 309.298 -0.083 20 0 DBADRM NC(=O)C(=O)N1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])CC2 ZINC001601136268 1017807380 /nfs/dbraw/zinc/80/73/80/1017807380.db2.gz AJJLLWHORWCWRI-VHSXEESVSA-N -1 0 323.349 -0.967 20 0 DBADRM NC(=O)C(=O)N1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])CC2 ZINC001601136266 1017807710 /nfs/dbraw/zinc/80/77/10/1017807710.db2.gz AJJLLWHORWCWRI-UWVGGRQHSA-N -1 0 323.349 -0.967 20 0 DBADRM NC(=O)C(=O)N1CCCC[C@@H]1CCNc1ccnc(C(=O)[O-])n1 ZINC001601137342 1017807884 /nfs/dbraw/zinc/80/78/84/1017807884.db2.gz NWISNVISTISZAE-SECBINFHSA-N -1 0 321.337 -0.735 20 0 DBADRM NC(=O)C(=O)N[C@]12CCC[C@H]1N(c1ccnc(C(=O)[O-])n1)CC2 ZINC001601136273 1017808181 /nfs/dbraw/zinc/80/81/81/1017808181.db2.gz AJLQCFVXRIHGBP-CLAHSXSESA-N -1 0 319.321 -0.722 20 0 DBADRM NC(=O)C(=O)NC[C@H]1CCCCN1c1ncc(C(=O)[O-])cn1 ZINC001601136776 1017808253 /nfs/dbraw/zinc/80/82/53/1017808253.db2.gz FGYLQZUYKBZKIG-SECBINFHSA-N -1 0 307.310 -0.865 20 0 DBADRM NC(=O)[C@]1(NS(=O)(=O)c2ccc(C(=O)[O-])s2)CCOC1 ZINC001601138219 1017808530 /nfs/dbraw/zinc/80/85/30/1017808530.db2.gz FCHMEVIZEGOATN-JTQLQIEISA-N -1 0 320.348 -0.631 20 0 DBADRM NC(=O)C1(C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CCC2)CC1 ZINC001601139313 1017808577 /nfs/dbraw/zinc/80/85/77/1017808577.db2.gz LBSZTTGCGLTUSS-DTWKUNHWSA-N -1 0 323.349 -0.872 20 0 DBADRM NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001601137535 1017808628 /nfs/dbraw/zinc/80/86/28/1017808628.db2.gz URWQJWBDUMYJSS-WCBMZHEXSA-N -1 0 321.337 -0.253 20 0 DBADRM NC(=O)C1(C(=O)N[C@H]2CCN(c3ccnc(C(=O)[O-])n3)C2)CC1 ZINC001601139310 1017808908 /nfs/dbraw/zinc/80/89/08/1017808908.db2.gz KXXMGADKSSNLRF-QMMMGPOBSA-N -1 0 319.321 -0.865 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2cc(C(=O)[O-])co2)CCOCC1 ZINC001601138895 1017808983 /nfs/dbraw/zinc/80/89/83/1017808983.db2.gz MRQIKGVCWFXUGA-UHFFFAOYSA-N -1 0 318.307 -0.709 20 0 DBADRM NC(=O)[C@@]1(NCC(=O)Nc2ccccc2C(=O)[O-])CCOC1 ZINC001601138474 1017809252 /nfs/dbraw/zinc/80/92/52/1017809252.db2.gz HPXKOMJBYNQKEO-CQSZACIVSA-N -1 0 307.306 -0.443 20 0 DBADRM NC(=O)[C@@H](NCCn1cc(C(=O)[O-])nn1)c1ccc(F)cc1 ZINC001601139033 1017809293 /nfs/dbraw/zinc/80/92/93/1017809293.db2.gz IEJLGUZDPJHCKS-NSHDSACASA-N -1 0 307.285 -0.068 20 0 DBADRM NC(=O)[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)c1ccccc1 ZINC001601139589 1017809418 /nfs/dbraw/zinc/80/94/18/1017809418.db2.gz MPDSSMMPQPEZGL-JTQLQIEISA-N -1 0 312.347 -0.003 20 0 DBADRM NC(=O)[C@@H](OC(=O)Cn1cc(C(=O)[O-])nn1)c1ccc(F)cc1 ZINC001601140446 1017809855 /nfs/dbraw/zinc/80/98/55/1017809855.db2.gz VSWJNUJEHDEYJR-NSHDSACASA-N -1 0 322.252 -0.115 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC001601140663 1017809893 /nfs/dbraw/zinc/80/98/93/1017809893.db2.gz IPTMIEDRAQTFIH-UHFFFAOYSA-N -1 0 310.281 -0.024 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)Nc2cncc(C(=O)[O-])c2)O1 ZINC001601142057 1017809979 /nfs/dbraw/zinc/80/99/79/1017809979.db2.gz GCPPJQKDGZUMJQ-UWVGGRQHSA-N -1 0 308.294 -0.066 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)Nc2ccc(C(=O)[O-])nc2)O1 ZINC001601143020 1017809988 /nfs/dbraw/zinc/80/99/88/1017809988.db2.gz WYBOJMFVIMDKJY-WCBMZHEXSA-N -1 0 308.294 -0.066 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001601142450 1017810202 /nfs/dbraw/zinc/81/02/02/1017810202.db2.gz YMEIWPCCBAUZHR-VIFPVBQESA-N -1 0 305.290 -0.326 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)Nc2cncc(C(=O)[O-])c2)O1 ZINC001601142056 1017810440 /nfs/dbraw/zinc/81/04/40/1017810440.db2.gz GCPPJQKDGZUMJQ-NXEZZACHSA-N -1 0 308.294 -0.066 20 0 DBADRM NC(=O)CC(=O)N1CC2(C1)CCCN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C2 ZINC001601145493 1017810912 /nfs/dbraw/zinc/81/09/12/1017810912.db2.gz HUHRVHICRNQFJC-UWVGGRQHSA-N -1 0 323.349 -0.967 20 0 DBADRM NC(=O)CC(=O)NCC[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001601144951 1017811366 /nfs/dbraw/zinc/81/13/66/1017811366.db2.gz AETSMMMZWQMVTF-SECBINFHSA-N -1 0 321.337 -0.617 20 0 DBADRM NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001601143960 1017811385 /nfs/dbraw/zinc/81/13/85/1017811385.db2.gz LAKZIUDDYPWHHU-QMMMGPOBSA-N -1 0 313.335 -0.334 20 0 DBADRM NC(=O)C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C1CCOCC1 ZINC001601145585 1017811570 /nfs/dbraw/zinc/81/15/70/1017811570.db2.gz JACMBKYFZDZYTO-AXFHLTTASA-N -1 0 314.338 -0.595 20 0 DBADRM NC(=O)CC1(NS(=O)(=O)c2scnc2C(=O)[O-])CCC1 ZINC001601147340 1017811952 /nfs/dbraw/zinc/81/19/52/1017811952.db2.gz MEPSDBQSOUDLTG-UHFFFAOYSA-N -1 0 319.364 -0.082 20 0 DBADRM NC(=O)C[C@H]1CCCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001601148509 1017812395 /nfs/dbraw/zinc/81/23/95/1017812395.db2.gz RHGWQJFWQXHWGJ-SSDOTTSWSA-N -1 0 316.339 -0.616 20 0 DBADRM NC(=O)CC1CC(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001601147804 1017812535 /nfs/dbraw/zinc/81/25/35/1017812535.db2.gz JUGDQTGWUQLZBM-UHFFFAOYSA-N -1 0 319.383 -0.729 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001601146608 1017812648 /nfs/dbraw/zinc/81/26/48/1017812648.db2.gz YIOYOEPIXWKMMF-BDAKNGLRSA-N -1 0 309.326 -0.616 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC001601146571 1017812815 /nfs/dbraw/zinc/81/28/15/1017812815.db2.gz XXDHZHUTFAJEDJ-FXPVBKGRSA-N -1 0 308.338 -0.187 20 0 DBADRM NC(=O)CN(CCc1cn(CC(=O)[O-])nn1)Cc1ccccc1 ZINC001601150674 1017813021 /nfs/dbraw/zinc/81/30/21/1017813021.db2.gz DQGCNJSNMVIHOQ-UHFFFAOYSA-N -1 0 317.349 -0.107 20 0 DBADRM NC(=O)Cc1ccc(CNC(=O)Cn2ccc(C(=O)[O-])n2)cc1 ZINC001601151790 1017813174 /nfs/dbraw/zinc/81/31/74/1017813174.db2.gz ABVLOMATXBHIFP-UHFFFAOYSA-N -1 0 316.317 -0.075 20 0 DBADRM NC(=O)COCCNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001601151344 1017813189 /nfs/dbraw/zinc/81/31/89/1017813189.db2.gz DCJDKETYPULOJU-UHFFFAOYSA-N -1 0 315.307 -0.997 20 0 DBADRM NC(=O)CN1CCC(NC(=O)Cc2ccc(C(=O)[O-])nc2)CC1 ZINC001601150924 1017813304 /nfs/dbraw/zinc/81/33/04/1017813304.db2.gz MBMFCZUTGBEHOJ-UHFFFAOYSA-N -1 0 320.349 -0.612 20 0 DBADRM NC(=O)COc1ccccc1C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001601151875 1017813319 /nfs/dbraw/zinc/81/33/19/1017813319.db2.gz IMXNTCYQXUWRDF-NXEZZACHSA-N -1 0 322.317 -0.542 20 0 DBADRM NC(=O)COc1ccccc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001601151885 1017813425 /nfs/dbraw/zinc/81/34/25/1017813425.db2.gz IMXNTCYQXUWRDF-ZJUUUORDSA-N -1 0 322.317 -0.542 20 0 DBADRM NC(=O)CCCCC(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001601149643 1017813443 /nfs/dbraw/zinc/81/34/43/1017813443.db2.gz UKTGIVMUSSBHJM-UWVGGRQHSA-N -1 0 311.338 -0.920 20 0 DBADRM NC(=O)N1CCC[C@H]1C(=O)NC[C@H](Cc1ccncc1)C(=O)[O-] ZINC001601154913 1017814507 /nfs/dbraw/zinc/81/45/07/1017814507.db2.gz BNSMXRAYFFKTFE-RYUDHWBXSA-N -1 0 320.349 -0.016 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)N[C@H](CC2OCCO2)C(=O)[O-])C1 ZINC001601154716 1017814573 /nfs/dbraw/zinc/81/45/73/1017814573.db2.gz UABMBMMMKXBNFY-DTWKUNHWSA-N -1 0 315.326 -0.891 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001601154340 1017814690 /nfs/dbraw/zinc/81/46/90/1017814690.db2.gz CHCJOXHZCFVXED-NWDGAFQWSA-N -1 0 320.349 -0.016 20 0 DBADRM NC(=O)N1CC[C@H](CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001601154327 1017814943 /nfs/dbraw/zinc/81/49/43/1017814943.db2.gz BDNXWQRZCQXBJZ-BBBLOLIVSA-N -1 0 319.383 -0.440 20 0 DBADRM NC(=O)N1CCC[C@H](CNC(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001601155386 1017814972 /nfs/dbraw/zinc/81/49/72/1017814972.db2.gz RJRNVKFCHDKFPK-SECBINFHSA-N -1 0 309.326 -0.512 20 0 DBADRM NC(=O)COc1cccc(NC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001601152707 1017815023 /nfs/dbraw/zinc/81/50/23/1017815023.db2.gz VVBMTCPFNWZRNT-CMPLNLGQSA-N -1 0 323.305 -0.086 20 0 DBADRM NC(=O)N1CCC[C@H]1C(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001601154912 1017815055 /nfs/dbraw/zinc/81/50/55/1017815055.db2.gz BNSMXRAYFFKTFE-NEPJUHHUSA-N -1 0 320.349 -0.016 20 0 DBADRM NC(=O)NCCCCC(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001601156182 1017815097 /nfs/dbraw/zinc/81/50/97/1017815097.db2.gz OKSBDELRRLSDAG-VHSXEESVSA-N -1 0 301.343 -0.322 20 0 DBADRM NC(=O)N[C@H](CC(=O)NC[C@H](O)CC(=O)[O-])c1cccs1 ZINC001601158816 1017815531 /nfs/dbraw/zinc/81/55/31/1017815531.db2.gz VXYPXDVFHGIWPF-HTQZYQBOSA-N -1 0 315.351 -0.201 20 0 DBADRM NC(=O)N[C@H]1CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC001601157561 1017815576 /nfs/dbraw/zinc/81/55/76/1017815576.db2.gz MKTKANNNSYFKNR-QMMMGPOBSA-N -1 0 314.323 -0.789 20 0 DBADRM NC(=O)N[C@@H](CO)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001601158467 1017815618 /nfs/dbraw/zinc/81/56/18/1017815618.db2.gz PTHADAVPJUZOPA-UTUOFQBUSA-N -1 0 321.333 -0.658 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC001601156904 1017815730 /nfs/dbraw/zinc/81/57/30/1017815730.db2.gz IUDHFOZAZSWBTD-PWSUYJOCSA-N -1 0 306.318 -0.236 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])C1 ZINC001601157334 1017815831 /nfs/dbraw/zinc/81/58/31/1017815831.db2.gz UHWTUKZEOOUJQK-VGMNWLOBSA-N -1 0 300.311 -0.780 20 0 DBADRM NC(=O)NC1(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001601157703 1017815984 /nfs/dbraw/zinc/81/59/84/1017815984.db2.gz FTJPFMOLSXKXAL-MRVPVSSYSA-N -1 0 322.325 -0.659 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)nc1 ZINC001601163513 1017816428 /nfs/dbraw/zinc/81/64/28/1017816428.db2.gz QNJLOFUJHXUTEA-UHFFFAOYSA-N -1 0 316.277 -0.833 20 0 DBADRM NC(=O)c1ccc(CC(=O)NCCC(=O)NCCC(=O)[O-])cc1 ZINC001601163619 1017816732 /nfs/dbraw/zinc/81/67/32/1017816732.db2.gz BHCUKSPOFVRNJL-UHFFFAOYSA-N -1 0 321.333 -0.575 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC001601159980 1017816845 /nfs/dbraw/zinc/81/68/45/1017816845.db2.gz SRDRLDLAYHGKPJ-DTWKUNHWSA-N -1 0 304.368 -0.185 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])cn1 ZINC001601162942 1017816917 /nfs/dbraw/zinc/81/69/17/1017816917.db2.gz VTOOFUBDQAINEO-JTQLQIEISA-N -1 0 323.305 -0.483 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])c1 ZINC001601163695 1017817482 /nfs/dbraw/zinc/81/74/82/1017817482.db2.gz MBRQYCAZXQKACJ-QMMMGPOBSA-N -1 0 311.294 -0.550 20 0 DBADRM NC(=O)c1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)co1 ZINC001601164242 1017817555 /nfs/dbraw/zinc/81/75/55/1017817555.db2.gz WEHIYOLCMVPZHA-BDAKNGLRSA-N -1 0 321.289 -0.960 20 0 DBADRM NC(=O)c1ccc(CCC(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1 ZINC001601164413 1017818187 /nfs/dbraw/zinc/81/81/87/1017818187.db2.gz NEHLZVFDFQXIKQ-HNNXBMFYSA-N -1 0 306.318 -0.234 20 0 DBADRM NC(=O)c1cc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)co1 ZINC001601163700 1017818215 /nfs/dbraw/zinc/81/82/15/1017818215.db2.gz MMSNUXZTAYUBOT-UHFFFAOYSA-N -1 0 305.250 -0.635 20 0 DBADRM NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])o1 ZINC001601165497 1017818256 /nfs/dbraw/zinc/81/82/56/1017818256.db2.gz YRGBIDHIFVCEKF-ZZRASVEWSA-N -1 0 308.290 -0.172 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cn1 ZINC001601164638 1017818329 /nfs/dbraw/zinc/81/83/29/1017818329.db2.gz QZRFCWNKVCQONY-JQWIXIFHSA-N -1 0 307.306 -0.841 20 0 DBADRM NC(=O)c1nccnc1C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001601172670 1017818716 /nfs/dbraw/zinc/81/87/16/1017818716.db2.gz WLKRMVRTIOJTBZ-CYBMUJFWSA-N -1 0 319.277 -0.979 20 0 DBADRM NC(=O)c1csc(CNS(=O)(=O)CC2(C(=O)[O-])CC2)n1 ZINC001601172176 1017818758 /nfs/dbraw/zinc/81/87/58/1017818758.db2.gz NDIFXZUFGRZGGZ-UHFFFAOYSA-N -1 0 319.364 -0.474 20 0 DBADRM NC(=O)c1cn(C2CCN(c3ccc(C(=O)[O-])nn3)CC2)nn1 ZINC001601170700 1017818786 /nfs/dbraw/zinc/81/87/86/1017818786.db2.gz ATXKJFAJLIXCER-UHFFFAOYSA-N -1 0 317.309 -0.293 20 0 DBADRM NC(=O)c1cccc(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)n1 ZINC001601169390 1017818868 /nfs/dbraw/zinc/81/88/68/1017818868.db2.gz WGHFLCIVORAUNL-IUCAKERBSA-N -1 0 307.306 -0.352 20 0 DBADRM NC(=O)c1cn(CCOC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)nn1 ZINC001601170111 1017818924 /nfs/dbraw/zinc/81/89/24/1017818924.db2.gz PYZOJYNLNGPKJE-RKDXNWHRSA-N -1 0 310.310 -0.189 20 0 DBADRM NC(=O)c1cnc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c(Cl)c1 ZINC001601170137 1017819095 /nfs/dbraw/zinc/81/90/95/1017819095.db2.gz SIIKKHXQLQWNBE-GFCCVEGCSA-N -1 0 313.697 -0.193 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@]2(C(=O)[O-])CCSC2)S1 ZINC001601178123 1017820494 /nfs/dbraw/zinc/82/04/94/1017820494.db2.gz IZLWSZSBWAZEBE-XUOSJQGZSA-N -1 0 303.365 -0.381 20 0 DBADRM NC(=O)c1ncn(CC(=O)Nc2ccc(OCC(=O)[O-])cc2)n1 ZINC001601174145 1017820653 /nfs/dbraw/zinc/82/06/53/1017820653.db2.gz RTYQISLMFFGPDH-UHFFFAOYSA-N -1 0 319.277 -0.521 20 0 DBADRM NC(=O)c1ncn(CC(=O)N[C@H](CC(=O)[O-])c2cccs2)n1 ZINC001601173900 1017820779 /nfs/dbraw/zinc/82/07/79/1017820779.db2.gz QDCYWWFRWXQYBF-SSDOTTSWSA-N -1 0 323.334 -0.229 20 0 DBADRM NCC(F)(F)CNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001601181575 1017821289 /nfs/dbraw/zinc/82/12/89/1017821289.db2.gz CWCXVQMUCYCOFM-UHFFFAOYSA-N -1 0 315.276 -0.038 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)c1cc(C(=O)[O-])ccn1 ZINC001601192746 1017822761 /nfs/dbraw/zinc/82/27/61/1017822761.db2.gz BDEHLKYDOGEBAC-UHFFFAOYSA-N -1 0 301.324 -0.422 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cn2)C1 ZINC001601192648 1017823011 /nfs/dbraw/zinc/82/30/11/1017823011.db2.gz RPLGIZIFRQWOID-MRVPVSSYSA-N -1 0 314.323 -0.326 20 0 DBADRM NS(=O)(=O)CC1CCN(c2nccc(C(=O)[O-])n2)CC1 ZINC001601193255 1017823506 /nfs/dbraw/zinc/82/35/06/1017823506.db2.gz RRICSSZUQRXXSK-UHFFFAOYSA-N -1 0 300.340 -0.320 20 0 DBADRM NS(=O)(=O)Cc1cccc(C(=O)N[C@H](CF)C(=O)[O-])c1 ZINC001601194527 1017823610 /nfs/dbraw/zinc/82/36/10/1017823610.db2.gz KMPQABVMJDUGRB-SECBINFHSA-N -1 0 304.299 -0.372 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N1CCSC[C@H]1C(=O)[O-] ZINC001601193218 1017823849 /nfs/dbraw/zinc/82/38/49/1017823849.db2.gz QQSJOLFEPFYZLU-VIFPVBQESA-N -1 0 324.424 -0.136 20 0 DBADRM NS(=O)(=O)Cc1cccc(C(=O)N[C@@H](CF)C(=O)[O-])c1 ZINC001601194528 1017823895 /nfs/dbraw/zinc/82/38/95/1017823895.db2.gz KMPQABVMJDUGRB-VIFPVBQESA-N -1 0 304.299 -0.372 20 0 DBADRM NS(=O)(=O)C1(C(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC001601193044 1017823987 /nfs/dbraw/zinc/82/39/87/1017823987.db2.gz ZMAMZKWKCOSTEN-UHFFFAOYSA-N -1 0 312.347 -0.135 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001601193101 1017824128 /nfs/dbraw/zinc/82/41/28/1017824128.db2.gz LNSUWBOTDSUPJN-ONGXEEELSA-N -1 0 322.383 -0.728 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)co1 ZINC001601196286 1017824328 /nfs/dbraw/zinc/82/43/28/1017824328.db2.gz WQRTVXIBWCIQFQ-QMSLJYSESA-N -1 0 300.292 -0.670 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H](CC2CC2)C(=O)[O-])ccn1 ZINC001601196254 1017824672 /nfs/dbraw/zinc/82/46/72/1017824672.db2.gz VFPMQWHQORHYMI-SECBINFHSA-N -1 0 313.335 -0.288 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)nc1 ZINC001601196693 1017824705 /nfs/dbraw/zinc/82/47/05/1017824705.db2.gz HGNYVRXARRUBSH-QMMMGPOBSA-N -1 0 313.335 -0.334 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])co1 ZINC001601196200 1017824802 /nfs/dbraw/zinc/82/48/02/1017824802.db2.gz SKNLJZDTWUQBRV-QMMMGPOBSA-N -1 0 302.308 -0.090 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)o1 ZINC001601196637 1017825019 /nfs/dbraw/zinc/82/50/19/1017825019.db2.gz DQBLQMLINPXPNF-SSDOTTSWSA-N -1 0 300.292 -0.170 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@H]2C(=O)[O-])ccc1F ZINC001601196031 1017825048 /nfs/dbraw/zinc/82/50/48/1017825048.db2.gz LHXLZZREQFJHHO-QMMMGPOBSA-N -1 0 302.283 -0.228 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])nc1 ZINC001601196678 1017825057 /nfs/dbraw/zinc/82/50/57/1017825057.db2.gz GPMIRJFKIGRSEQ-BDAKNGLRSA-N -1 0 313.335 -0.288 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)OC2CC(CC(=O)[O-])C2)CC1 ZINC001601194701 1017825099 /nfs/dbraw/zinc/82/50/99/1017825099.db2.gz OZKBGXRCWCKIQJ-UHFFFAOYSA-N -1 0 320.367 -0.302 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NCC[C@H](O)C(=O)[O-])ccc1F ZINC001601196246 1017825125 /nfs/dbraw/zinc/82/51/25/1017825125.db2.gz UZIZJMBGXSGNHN-QMMMGPOBSA-N -1 0 320.298 -0.962 20 0 DBADRM NS(=O)(=O)NC1CCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC001601195132 1017825245 /nfs/dbraw/zinc/82/52/45/1017825245.db2.gz IKMIGUPOQXHRHQ-UHFFFAOYSA-N -1 0 314.367 -0.463 20 0 DBADRM NS(=O)(=O)c1nc(C(=O)N2CC(C(=O)[O-])C2)n2ccccc12 ZINC001601201847 1017825555 /nfs/dbraw/zinc/82/55/55/1017825555.db2.gz PJIPBKUECIYGIT-UHFFFAOYSA-N -1 0 324.318 -0.862 20 0 DBADRM NS(=O)(=O)c1nc(C(=O)N2CC[C@H]2C(=O)[O-])n2ccccc12 ZINC001601201575 1017826229 /nfs/dbraw/zinc/82/62/29/1017826229.db2.gz HDKSOZNHBXHOEX-QMMMGPOBSA-N -1 0 324.318 -0.719 20 0 DBADRM N[C@@H](CC(=O)[O-])c1nc(CC(=O)N2CCSCC2)no1 ZINC001601200999 1017826303 /nfs/dbraw/zinc/82/63/03/1017826303.db2.gz CBABHZRKEBFMOF-ZETCQYMHSA-N -1 0 300.340 -0.338 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC3CC2(C(=O)[O-])C3)o1 ZINC001601197573 1017826410 /nfs/dbraw/zinc/82/64/10/1017826410.db2.gz AHEJEPLUOZHACK-UHFFFAOYSA-N -1 0 300.292 -0.384 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(C(=O)N2CC(C(=O)[O-])C2)c1 ZINC001601199156 1017826445 /nfs/dbraw/zinc/82/64/45/1017826445.db2.gz LWFLCBXVMAPWMV-UHFFFAOYSA-N -1 0 302.283 -0.370 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001601198352 1017826551 /nfs/dbraw/zinc/82/65/51/1017826551.db2.gz NROXQZBNCYKGHH-GXSJLCMTSA-N -1 0 300.336 -0.646 20 0 DBADRM Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[C@H]1C(=O)[O-] ZINC001601217566 1017827290 /nfs/dbraw/zinc/82/72/90/1017827290.db2.gz NVGHMUMZWATSQG-VIFPVBQESA-N -1 0 313.335 -0.767 20 0 DBADRM [NH3+][C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC[C@H]1F ZINC001601203069 1017827419 /nfs/dbraw/zinc/82/74/19/1017827419.db2.gz SLCGTNFPARVJBN-RKDXNWHRSA-N -1 0 306.319 -0.973 20 0 DBADRM Nc1nnn(CC(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)n1 ZINC001601224004 1017827854 /nfs/dbraw/zinc/82/78/54/1017827854.db2.gz KPVZPSMCWFPFLB-SNVBAGLBSA-N -1 0 304.310 -0.543 20 0 DBADRM Nc1nccnc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001601221852 1017827920 /nfs/dbraw/zinc/82/79/20/1017827920.db2.gz CWVVWGROFZNCBT-UYXSQOIJSA-N -1 0 319.321 -0.844 20 0 DBADRM Nc1ncn(CC(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])n1 ZINC001601222194 1017827997 /nfs/dbraw/zinc/82/79/97/1017827997.db2.gz MGYBEHSEMPBFFT-JTQLQIEISA-N -1 0 323.284 -0.352 20 0 DBADRM Nc1ncc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cn1 ZINC001601221325 1017828026 /nfs/dbraw/zinc/82/80/26/1017828026.db2.gz URSJFCRIIRPCRF-UFBFGSQYSA-N -1 0 312.351 -0.066 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)C(=O)N1CCC[C@H](O)C1)CC2 ZINC001601222951 1017828086 /nfs/dbraw/zinc/82/80/86/1017828086.db2.gz CKBQYNAUHOJOEO-RWSFTLGLSA-N -1 0 310.350 -0.175 20 0 DBADRM Nc1ncc(S(=O)(=O)NC2(C(=O)[O-])CCSCC2)cn1 ZINC001601221269 1017828112 /nfs/dbraw/zinc/82/81/12/1017828112.db2.gz RGSFNKUTYLNOEV-UHFFFAOYSA-N -1 0 318.380 -0.313 20 0 DBADRM Nc1n[nH]c(C2CCN(C(=O)Cn3ccc(C(=O)[O-])n3)CC2)n1 ZINC001601222759 1017828187 /nfs/dbraw/zinc/82/81/87/1017828187.db2.gz MUXVJAUOCSMGGV-UHFFFAOYSA-N -1 0 319.325 -0.312 20 0 DBADRM Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)CC2 ZINC001601220167 1017828205 /nfs/dbraw/zinc/82/82/05/1017828205.db2.gz RYSHPDKSCWFMKC-LURJTMIESA-N -1 0 322.350 -0.311 20 0 DBADRM Nc1nnn(CC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)n1 ZINC001601223418 1017828279 /nfs/dbraw/zinc/82/82/79/1017828279.db2.gz AZGLKSJNRGYXNM-QMMMGPOBSA-N -1 0 302.294 -0.140 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)C(=O)N2CCc3cc(F)ccc32)C1 ZINC001601222875 1017828519 /nfs/dbraw/zinc/82/85/19/1017828519.db2.gz AHRFQWVHDIEZAR-HNNXBMFYSA-N -1 0 322.292 -0.237 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@@H]2C[C@]23C(=O)Nc2ccccc23)C1 ZINC001601226821 1017829044 /nfs/dbraw/zinc/82/90/44/1017829044.db2.gz DLFFOAHBDBJSMQ-AMKSKSKJSA-N -1 0 316.313 -0.056 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N2CCC(C3CCC3)CC2)C1 ZINC001601225515 1017829059 /nfs/dbraw/zinc/82/90/59/1017829059.db2.gz LLYIBYFPPHWPBA-UHFFFAOYSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)C=CC(=O)Nc1ccc2n[nH]cc2c1 ZINC001601229140 1017829108 /nfs/dbraw/zinc/82/91/08/1017829108.db2.gz CWPJZAGTTNELFH-BYCRGOAPSA-N -1 0 318.289 -0.381 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C1 ZINC001601228106 1017829437 /nfs/dbraw/zinc/82/94/37/1017829437.db2.gz UMIVZILNIRTXLM-ZCFIWIBFSA-N -1 0 310.228 -0.802 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)C=C2CCC2)n1 ZINC001601229251 1017829536 /nfs/dbraw/zinc/82/95/36/1017829536.db2.gz YHKBLKAKNHDHHA-JTQLQIEISA-N -1 0 306.322 -0.404 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)[C@@H]3C[C@@]34CCOC4)CC2)CCOC1 ZINC001601227076 1017829804 /nfs/dbraw/zinc/82/98/04/1017829804.db2.gz KCGIFSLCKDCYKH-MAZHCROVSA-N -1 0 324.377 -0.199 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCn1cc(Br)cn1 ZINC001601300328 1017834108 /nfs/dbraw/zinc/83/41/08/1017834108.db2.gz PARLYRSKYHORHF-ZETCQYMHSA-N -1 0 306.116 -0.403 20 0 DBADRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C[C@@H]1CNCCS1(=O)=O ZINC001601256920 1017830764 /nfs/dbraw/zinc/83/07/64/1017830764.db2.gz JWOWMBHNVUUHFH-BREBYQMCSA-N -1 0 316.379 -0.771 20 0 DBADRM O=C([O-])C1(NC(=O)C[C@@H]2CCCS2(=O)=O)CC(CO)C1 ZINC001601256767 1017830803 /nfs/dbraw/zinc/83/08/03/1017830803.db2.gz VRHABYGEBGPLNF-XEVUQIKYSA-N -1 0 305.352 -0.704 20 0 DBADRM O=C([O-])c1cn([C@@H]2COC[C@H]2OC(=O)C[C@H]2CCOC2)nn1 ZINC001601256638 1017830881 /nfs/dbraw/zinc/83/08/81/1017830881.db2.gz POYWLDLUGQMBSA-FBIMIBRVSA-N -1 0 311.294 -0.114 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)C[C@H]2CCOC2)nc1 ZINC001601257134 1017831019 /nfs/dbraw/zinc/83/10/19/1017831019.db2.gz SGNBGFKXANVOKK-KOLCDFICSA-N -1 0 324.337 -0.510 20 0 DBADRM O=C(CCN1CCCC1=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001601274906 1017831123 /nfs/dbraw/zinc/83/11/23/1017831123.db2.gz HJMGVWZDBUTDHH-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001601275161 1017831239 /nfs/dbraw/zinc/83/12/39/1017831239.db2.gz OKKWHKJNLNTIKM-LBPRGKRZSA-N -1 0 320.367 -0.981 20 0 DBADRM O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001601264597 1017831297 /nfs/dbraw/zinc/83/12/97/1017831297.db2.gz LWYIQZOIOSINDM-CIUDSAMLSA-N -1 0 313.310 -0.887 20 0 DBADRM O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001601264599 1017831400 /nfs/dbraw/zinc/83/14/00/1017831400.db2.gz LWYIQZOIOSINDM-HRDYMLBCSA-N -1 0 313.310 -0.887 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCCC[NH+]1CCC(C(=O)[O-])CC1 ZINC001601271318 1017831500 /nfs/dbraw/zinc/83/15/00/1017831500.db2.gz ARUVQOBYIYFQBJ-UHFFFAOYSA-N -1 0 324.385 -0.175 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)CCCn1ccccc1=O ZINC001601273946 1017831725 /nfs/dbraw/zinc/83/17/25/1017831725.db2.gz CUQCLHHXIBERIO-LLVKDONJSA-N -1 0 324.333 -0.039 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCCN1C(=O)CNC1=O)c1ccccn1 ZINC001601267826 1017832043 /nfs/dbraw/zinc/83/20/43/1017832043.db2.gz CRUGHWWNBPZESV-LBPRGKRZSA-N -1 0 320.305 -0.345 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)CCOCC(F)(F)F ZINC001601280879 1017832472 /nfs/dbraw/zinc/83/24/72/1017832472.db2.gz MWFPNYQVGZEDFZ-ZETCQYMHSA-N -1 0 310.232 -0.184 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)CCN2C(=O)CCC2=O)C1(F)F ZINC001601276697 1017832813 /nfs/dbraw/zinc/83/28/13/1017832813.db2.gz SEZKBUNZKQNBEK-WKEGUHRASA-N -1 0 304.249 -0.392 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 ZINC001601277137 1017832942 /nfs/dbraw/zinc/83/29/42/1017832942.db2.gz XUJHZVVDPQTUEJ-NXEZZACHSA-N -1 0 324.333 -0.790 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)CCc2c[nH]cn2)CC1 ZINC001601286717 1017833194 /nfs/dbraw/zinc/83/31/94/1017833194.db2.gz LEGXTXVAQKDSSX-WDEREUQCSA-N -1 0 320.349 -0.172 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)NC1CCS(=O)(=O)CC1 ZINC001601296924 1017833642 /nfs/dbraw/zinc/83/36/42/1017833642.db2.gz BDVKTONWHVUIFE-UHFFFAOYSA-N -1 0 316.335 -0.001 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)N[C@H](CO)Cc1c[nH]cn1 ZINC001601296645 1017833674 /nfs/dbraw/zinc/83/36/74/1017833674.db2.gz JCYQONJBAXFWPJ-VIFPVBQESA-N -1 0 308.294 -0.252 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)CCn2cncn2)C1 ZINC001601300712 1017834075 /nfs/dbraw/zinc/83/40/75/1017834075.db2.gz MYAQISFHNNDKHX-VLEAKVRGSA-N -1 0 321.337 -0.848 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001601296582 1017834154 /nfs/dbraw/zinc/83/41/54/1017834154.db2.gz LKTXORHQLXAPBJ-AATLWQCWSA-N -1 0 321.337 -0.779 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)CCn2ccnn2)C1 ZINC001601299334 1017834318 /nfs/dbraw/zinc/83/43/18/1017834318.db2.gz GVCGHSGAEVAZIZ-YTWAJWBKSA-N -1 0 321.337 -0.848 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001601296688 1017834397 /nfs/dbraw/zinc/83/43/97/1017834397.db2.gz LKTXORHQLXAPBJ-XKNYDFJKSA-N -1 0 321.337 -0.779 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CCn1cnccc1=O)[C@@H]1CCOC1 ZINC001601300533 1017834483 /nfs/dbraw/zinc/83/44/83/1017834483.db2.gz GTIUQIIFTNKWFP-GHMZBOCLSA-N -1 0 309.322 -0.513 20 0 DBADRM O=C(CN1CCC(CO)CC1)NC1(C(=O)[O-])CCOCC1 ZINC001601305072 1017834909 /nfs/dbraw/zinc/83/49/09/1017834909.db2.gz IXTROLNUDGWEGU-UHFFFAOYSA-N -1 0 300.355 -0.559 20 0 DBADRM O=C(CN1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O)NCC1CC1 ZINC001601303281 1017835056 /nfs/dbraw/zinc/83/50/56/1017835056.db2.gz QFPGIIOZXJSCGY-NXEZZACHSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C(CN1C(=O)CNC1=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001601302491 1017835320 /nfs/dbraw/zinc/83/53/20/1017835320.db2.gz NNYIDAAYSVVJEU-UHFFFAOYSA-N -1 0 307.266 -0.982 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2C[C@@H]3COC[C@H](C2)O3)n1 ZINC001601306045 1017835466 /nfs/dbraw/zinc/83/54/66/1017835466.db2.gz HPMLVDZWCBFZSC-AOOOYVTPSA-N -1 0 307.306 -0.182 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@H](CO)CC(F)F)C1=O ZINC001601308241 1017835727 /nfs/dbraw/zinc/83/57/27/1017835727.db2.gz KEHYRVXOQMZOEQ-JGVFFNPUSA-N -1 0 308.281 -0.558 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)OC[C@@H]1COCCO1 ZINC001601310265 1017836128 /nfs/dbraw/zinc/83/61/28/1017836128.db2.gz MTCKMJHOSYZXAY-VHSXEESVSA-N -1 0 301.295 -0.732 20 0 DBADRM O=C(CN1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1)NCC1CC1 ZINC001601306472 1017836305 /nfs/dbraw/zinc/83/63/05/1017836305.db2.gz QLSLEDPWPJQCQK-NWDGAFQWSA-N -1 0 309.366 -0.719 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(CC(=O)NCC(F)(F)F)C2)C1 ZINC001601308875 1017836349 /nfs/dbraw/zinc/83/63/49/1017836349.db2.gz YTGJONQFYOQCOE-JTQLQIEISA-N -1 0 309.244 -0.030 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NC[C@@]2(O)CCSC2)C1=O ZINC001601308253 1017836387 /nfs/dbraw/zinc/83/63/87/1017836387.db2.gz KKGMQJQWWHRJLP-RNCFNFMXSA-N -1 0 316.379 -0.706 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)O[C@@H]1CCN(C2CC2)C1=O ZINC001601310000 1017836411 /nfs/dbraw/zinc/83/64/11/1017836411.db2.gz JEFJPFPSYYPIEH-GHMZBOCLSA-N -1 0 324.333 -0.384 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2cnc3n2CCC3)C1=O ZINC001601310314 1017836604 /nfs/dbraw/zinc/83/66/04/1017836604.db2.gz KLEOVWUPIJLEQN-LLVKDONJSA-N -1 0 320.349 -0.231 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCCCC(=O)C1=O)c1ccccn1 ZINC001601313340 1017837029 /nfs/dbraw/zinc/83/70/29/1017837029.db2.gz FGIGOEKMZSDMSY-ZDUSSCGKSA-N -1 0 319.317 -0.095 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)Nc2ccnc3ccnn32)C1=O ZINC001601313165 1017837166 /nfs/dbraw/zinc/83/71/66/1017837166.db2.gz UMULWSKTYYEVBJ-VIFPVBQESA-N -1 0 317.305 -0.009 20 0 DBADRM O=C([O-])c1coc(CNC(=O)CN2CCCCC(=O)C2=O)n1 ZINC001601313181 1017837184 /nfs/dbraw/zinc/83/71/84/1017837184.db2.gz CLXNWAUQYBHUSA-UHFFFAOYSA-N -1 0 309.278 -0.429 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)Nc2cc(CO)ccn2)C1=O ZINC001601311452 1017837244 /nfs/dbraw/zinc/83/72/44/1017837244.db2.gz FBTBRPQQRJHIFP-JTQLQIEISA-N -1 0 307.306 -0.164 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)[nH]1 ZINC001601314312 1017837290 /nfs/dbraw/zinc/83/72/90/1017837290.db2.gz CXFBEGGBLSOPHZ-UHFFFAOYSA-N -1 0 320.349 -0.251 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NCCSCCCO)C1=O ZINC001601310539 1017837445 /nfs/dbraw/zinc/83/74/45/1017837445.db2.gz NAKIWHKPCNXCJU-SNVBAGLBSA-N -1 0 318.395 -0.459 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001601315462 1017837763 /nfs/dbraw/zinc/83/77/63/1017837763.db2.gz JRBWKZSYYFRQJC-JTQLQIEISA-N -1 0 302.352 -0.298 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2C[C@@H]3C[C@H]2C[S@]3=O)n1 ZINC001601318309 1017837964 /nfs/dbraw/zinc/83/79/64/1017837964.db2.gz UMANMPUQQUQIJE-QJHLZDNFSA-N -1 0 309.347 -0.077 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CN1CCNCC1=O)c1ccc(F)cc1 ZINC001601316709 1017838199 /nfs/dbraw/zinc/83/81/99/1017838199.db2.gz RKAQEXGRWUTHIQ-LBPRGKRZSA-N -1 0 323.324 -0.458 20 0 DBADRM O=C(CN1CCOCC1=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001601316646 1017838241 /nfs/dbraw/zinc/83/82/41/1017838241.db2.gz HLACJKUCMJKRFH-GHMZBOCLSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])c1ccc(OCCNC(=O)CN2CCOCC2=O)cc1 ZINC001601317087 1017838394 /nfs/dbraw/zinc/83/83/94/1017838394.db2.gz UQYNZUXDDRSDBU-UHFFFAOYSA-N -1 0 322.317 -0.261 20 0 DBADRM O=C([O-])[C@H](CC1CC1)NC(=O)CNC(=O)c1ncccc1O ZINC001601323020 1017839410 /nfs/dbraw/zinc/83/94/10/1017839410.db2.gz LAAYBQAPLBXCCH-VIFPVBQESA-N -1 0 307.306 -0.114 20 0 DBADRM O=C([O-])[C@]1(NCC(=O)N2CCC3(CC2)OCCO3)CCOC1 ZINC001601325011 1017839435 /nfs/dbraw/zinc/83/94/35/1017839435.db2.gz HXPUZRZQNLXQPB-ZDUSSCGKSA-N -1 0 314.338 -0.815 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CNC(=O)c1ccc(F)cc1F ZINC001601321909 1017839963 /nfs/dbraw/zinc/83/99/63/1017839963.db2.gz DKTSCHIBGGAYDK-VIFPVBQESA-N -1 0 302.233 -0.744 20 0 DBADRM O=C([O-])C1(NC(=O)CNC(=O)c2cccs2)CC(CO)C1 ZINC001601323138 1017840101 /nfs/dbraw/zinc/84/01/01/1017840101.db2.gz QDQDHAOKNHQTHV-UHFFFAOYSA-N -1 0 312.347 -0.180 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NCC[C@@]1(O)CCOC1 ZINC001601339797 1017840446 /nfs/dbraw/zinc/84/04/46/1017840446.db2.gz CVCUCLBRSUWMPV-CYBMUJFWSA-N -1 0 314.294 -0.453 20 0 DBADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)CCNC(=O)CO)C2 ZINC001601329935 1017840907 /nfs/dbraw/zinc/84/09/07/1017840907.db2.gz BVUKCJFEJKRDMJ-UHFFFAOYSA-N -1 0 306.318 -0.232 20 0 DBADRM O=C([O-])c1ccc(F)c2c1CN(C(=O)CCNC(=O)CO)CC2 ZINC001601330047 1017840718 /nfs/dbraw/zinc/84/07/18/1017840718.db2.gz IJDIOEPMCNLQKG-UHFFFAOYSA-N -1 0 324.308 -0.093 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)COCC(=O)NCc1cccnc1 ZINC001601336982 1017840724 /nfs/dbraw/zinc/84/07/24/1017840724.db2.gz GTJLCDTUQWCDCS-JTQLQIEISA-N -1 0 313.285 -0.747 20 0 DBADRM O=C([O-])C1(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC001601330703 1017840758 /nfs/dbraw/zinc/84/07/58/1017840758.db2.gz AELJNBDDWAHMJB-UHFFFAOYSA-N -1 0 312.200 -0.218 20 0 DBADRM O=C(COC1CCOCC1)NCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001601336330 1017840793 /nfs/dbraw/zinc/84/07/93/1017840793.db2.gz AMWMMFUKVQNSJE-QWRGUYRKSA-N -1 0 314.338 -0.865 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NCCO[C@H]1CCOC1 ZINC001601340552 1017841041 /nfs/dbraw/zinc/84/10/41/1017841041.db2.gz GRQSODUHZIFGJY-VIFPVBQESA-N -1 0 314.294 -0.189 20 0 DBADRM O=C(Cc1ccc(-n2cnnc2)cc1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001601354779 1017841639 /nfs/dbraw/zinc/84/16/39/1017841639.db2.gz OLOWZNKFWGWVRX-JNSHFYNHSA-N -1 0 316.317 -0.096 20 0 DBADRM O=C(CC1C(=O)N=CNC1=O)NC1(C(=O)[O-])CCSCC1 ZINC001601351996 1017841834 /nfs/dbraw/zinc/84/18/34/1017841834.db2.gz BCEJIZOOKQMRFQ-UHFFFAOYSA-N -1 0 313.335 -0.103 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)CSc2nnc3ccccn32)C1 ZINC001601351221 1017841859 /nfs/dbraw/zinc/84/18/59/1017841859.db2.gz KBCYSTARBRZBOM-ZDUSSCGKSA-N -1 0 322.346 -0.131 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC001601360460 1017841876 /nfs/dbraw/zinc/84/18/76/1017841876.db2.gz BNIRHSNHKSDTBP-LBPRGKRZSA-N -1 0 322.317 -0.637 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)Cc1c[nH]c2cnccc12 ZINC001601353488 1017842079 /nfs/dbraw/zinc/84/20/79/1017842079.db2.gz OYAYIOWYJAIVOP-LBPRGKRZSA-N -1 0 314.305 -0.034 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NC[C@H]1CCCNC1=O ZINC001601341184 1017842200 /nfs/dbraw/zinc/84/22/00/1017842200.db2.gz VDOILHZUSVCVQV-MRVPVSSYSA-N -1 0 311.294 -0.468 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)CS(=O)(=O)C1CC1 ZINC001601345952 1017842266 /nfs/dbraw/zinc/84/22/66/1017842266.db2.gz MXAHZGYVAUIJFY-NSHDSACASA-N -1 0 312.347 -0.229 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001601370790 1017843071 /nfs/dbraw/zinc/84/30/71/1017843071.db2.gz CYMIBFYFUXWKLG-SASUGWTJSA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])c1cccc(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC001601364849 1017843171 /nfs/dbraw/zinc/84/31/71/1017843171.db2.gz PCFSGUZUMGMFFL-GHMZBOCLSA-N -1 0 313.331 -0.799 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)Cc3cc[nH]n3)CC2)CCOC1 ZINC001601371015 1017843384 /nfs/dbraw/zinc/84/33/84/1017843384.db2.gz PKDXUMYNHULCPO-CQSZACIVSA-N -1 0 308.338 -0.660 20 0 DBADRM O=C([O-])c1nccc(NC/C=C/CNC(=O)Cc2ncc[nH]2)n1 ZINC001601376155 1017843865 /nfs/dbraw/zinc/84/38/65/1017843865.db2.gz LJROMJPFBBBANW-OWOJBTEDSA-N -1 0 316.321 -0.353 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)Cc1nc2ncccn2n1)[C@@H]1CCOC1 ZINC001601375985 1017844107 /nfs/dbraw/zinc/84/41/07/1017844107.db2.gz HTXIKSXBKNDCLN-ZJUUUORDSA-N -1 0 319.321 -0.480 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2cnoc2)C1 ZINC001601374510 1017844153 /nfs/dbraw/zinc/84/41/53/1017844153.db2.gz YIBPBUOISXGCRH-ZDDJMSTPSA-N -1 0 321.333 -0.051 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)Cc2ncc[nH]2)CCC1 ZINC001601376546 1017844287 /nfs/dbraw/zinc/84/42/87/1017844287.db2.gz WAKDKBDVBIHRDP-VHSXEESVSA-N -1 0 320.349 -0.172 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(NC(=O)Cc2ncc[nH]2)CCC1 ZINC001601376292 1017844542 /nfs/dbraw/zinc/84/45/42/1017844542.db2.gz PWHZLLLZUYXLMV-ZJUUUORDSA-N -1 0 320.349 -0.172 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC001601378602 1017844597 /nfs/dbraw/zinc/84/45/97/1017844597.db2.gz VXRRFJPCLGOZAG-LLVKDONJSA-N -1 0 324.337 -0.883 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@H]2CN(C3CC3)C(=O)O2)nn1 ZINC001601382927 1017844753 /nfs/dbraw/zinc/84/47/53/1017844753.db2.gz URQXTVTVCAEXHY-QMMMGPOBSA-N -1 0 309.282 -0.924 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCc2ncc3c(n2)CCOC3)n1 ZINC001601384526 1017845192 /nfs/dbraw/zinc/84/51/92/1017845192.db2.gz JMQNOXWFZKMNJK-UHFFFAOYSA-N -1 0 317.305 -0.240 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCCNC(=O)c2ccco2)n1 ZINC001601384339 1017845201 /nfs/dbraw/zinc/84/52/01/1017845201.db2.gz IFXKMCXRFMFDMC-UHFFFAOYSA-N -1 0 306.278 -0.280 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)n1 ZINC001601384346 1017845303 /nfs/dbraw/zinc/84/53/03/1017845303.db2.gz IJLODCQXNUGLOV-PHIMTYICSA-N -1 0 308.338 -0.439 20 0 DBADRM O=C([O-])c1cncnc1Nc1cnn(CC(=O)NCCO)c1 ZINC001601383074 1017845458 /nfs/dbraw/zinc/84/54/58/1017845458.db2.gz DUOIBBFHUXKFMN-UHFFFAOYSA-N -1 0 306.282 -0.777 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N[C@H](CCO)C(F)(F)F)c1=O ZINC001601386355 1017845488 /nfs/dbraw/zinc/84/54/88/1017845488.db2.gz CSVUBAQNPSFANA-MRVPVSSYSA-N -1 0 322.239 -0.024 20 0 DBADRM O=C([O-])c1ccn(CC(=O)Nc2ccc(OCCO)nc2)n1 ZINC001601386036 1017845539 /nfs/dbraw/zinc/84/55/39/1017845539.db2.gz ZBZNCXUNQRKZGY-UHFFFAOYSA-N -1 0 306.278 -0.014 20 0 DBADRM O=C([O-])c1cnn(CC(=O)O[C@H]2CCCS(=O)(=O)C2)c1 ZINC001601380547 1017845549 /nfs/dbraw/zinc/84/55/49/1017845549.db2.gz LYCVQZVTLQIWFK-VIFPVBQESA-N -1 0 302.308 -0.298 20 0 DBADRM O=C([O-])c1cn(CC(=O)OCC(=O)N2CCCCCC2)nn1 ZINC001601382618 1017845673 /nfs/dbraw/zinc/84/56/73/1017845673.db2.gz UXLCOENIYYHOFI-UHFFFAOYSA-N -1 0 310.310 -0.078 20 0 DBADRM O=C([O-])c1cccn(CC(=O)OCCN2CCCC2=O)c1=O ZINC001601388369 1017845854 /nfs/dbraw/zinc/84/58/54/1017845854.db2.gz NZOCGUYOWIWDGR-UHFFFAOYSA-N -1 0 308.290 -0.288 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NC[C@H](O)c2c[nH]cn2)c1=O ZINC001601388028 1017846083 /nfs/dbraw/zinc/84/60/83/1017846083.db2.gz IQQPJJQQKWLNTF-JTQLQIEISA-N -1 0 306.278 -0.881 20 0 DBADRM O=C([O-])[C@@H](C[C@H]1CCCOC1)NC(=O)Cn1cccnc1=O ZINC001601389620 1017846176 /nfs/dbraw/zinc/84/61/76/1017846176.db2.gz VNDMSBFAFJJMJH-GHMZBOCLSA-N -1 0 309.322 -0.371 20 0 DBADRM O=C([O-])c1cccn(CC(=O)Nc2n[nH]c3c2COCC3)c1=O ZINC001601387428 1017846276 /nfs/dbraw/zinc/84/62/76/1017846276.db2.gz GQFZNZQTBOSIHO-UHFFFAOYSA-N -1 0 318.289 -0.019 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)Cn3cccn3)C2)n1 ZINC001601389587 1017846390 /nfs/dbraw/zinc/84/63/90/1017846390.db2.gz SQMUIHVDAMCJFW-SNVBAGLBSA-N -1 0 316.321 -0.234 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)Cn2cccn2)C1 ZINC001601389302 1017846539 /nfs/dbraw/zinc/84/65/39/1017846539.db2.gz JKJWLOVYRHWNCG-VLEAKVRGSA-N -1 0 306.322 -0.633 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001601391268 1017847032 /nfs/dbraw/zinc/84/70/32/1017847032.db2.gz GLHATQHWCPHVLP-XWLWVQCSSA-N -1 0 321.337 -0.990 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001601391265 1017847048 /nfs/dbraw/zinc/84/70/48/1017847048.db2.gz GLHATQHWCPHVLP-DBIOUOCHSA-N -1 0 321.337 -0.990 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)Cn1ncc2cccnc21 ZINC001601391979 1017847202 /nfs/dbraw/zinc/84/72/02/1017847202.db2.gz ZYEPFVNHMMCLQQ-SNVBAGLBSA-N -1 0 320.305 -0.236 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001601391533 1017847274 /nfs/dbraw/zinc/84/72/74/1017847274.db2.gz ORGSXAWAXOEIHR-ZDUSSCGKSA-N -1 0 312.301 -0.594 20 0 DBADRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)Cn1ncn2nccc2c1=O ZINC001601391926 1017847294 /nfs/dbraw/zinc/84/72/94/1017847294.db2.gz WXCBSBWTVWWVCW-OTYXRUKQSA-N -1 0 317.305 -0.643 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H](CO)[C@H](O)c2ccccn2)cn1 ZINC001601420038 1017847659 /nfs/dbraw/zinc/84/76/59/1017847659.db2.gz LGORDJCLQMTCKE-QWHCGFSZSA-N -1 0 317.301 -0.001 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001601428318 1017847678 /nfs/dbraw/zinc/84/76/78/1017847678.db2.gz JDCCPCWYNCVROG-GXSJLCMTSA-N -1 0 304.310 -0.693 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001601428320 1017847742 /nfs/dbraw/zinc/84/77/42/1017847742.db2.gz JDCCPCWYNCVROG-KOLCDFICSA-N -1 0 304.310 -0.693 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001601426226 1017847808 /nfs/dbraw/zinc/84/78/08/1017847808.db2.gz VGKIUAAYZAZKHS-QWRGUYRKSA-N -1 0 303.322 -0.088 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001601425523 1017847905 /nfs/dbraw/zinc/84/79/05/1017847905.db2.gz CKSURPLWROFIOM-WDEREUQCSA-N -1 0 303.322 -0.088 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)c1ccnc2ccnn21 ZINC001601425783 1017848163 /nfs/dbraw/zinc/84/81/63/1017848163.db2.gz JNFCNGNTZQSFKT-VIFPVBQESA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)c1cc2n(n1)CCCC2=O ZINC001601425646 1017848293 /nfs/dbraw/zinc/84/82/93/1017848293.db2.gz GHAORGIACXXUOB-JTQLQIEISA-N -1 0 317.305 -0.061 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001601426198 1017848486 /nfs/dbraw/zinc/84/84/86/1017848486.db2.gz UQUWGXBHOKRWNB-BDAKNGLRSA-N -1 0 320.309 -0.988 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@H]2CC23CCS(=O)(=O)CC3)CCOC1 ZINC001601430910 1017848833 /nfs/dbraw/zinc/84/88/33/1017848833.db2.gz RPPGQAPNDQLXQB-NOZJJQNGSA-N -1 0 317.363 -0.439 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)N[C@@H]2CCC(F)(F)C2)C1 ZINC001601436687 1017849432 /nfs/dbraw/zinc/84/94/32/1017849432.db2.gz BKTZGAHUKAGFDU-YIZRAAEISA-N -1 0 320.292 -0.416 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2nnc[nH]2)CC1 ZINC001601439776 1017849461 /nfs/dbraw/zinc/84/94/61/1017849461.db2.gz DHYHFISJPLWDAE-RKDXNWHRSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001601433469 1017849504 /nfs/dbraw/zinc/84/95/04/1017849504.db2.gz DBKMNFFCQUAPOM-AOOOYVTPSA-N -1 0 323.349 -0.953 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001601438158 1017849656 /nfs/dbraw/zinc/84/96/56/1017849656.db2.gz JIJZUHIZUKIUCG-PZWNZHSQSA-N -1 0 310.350 -0.415 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CNC(=O)NCc3ccco3)C[C@@H]21 ZINC001601448202 1017849997 /nfs/dbraw/zinc/84/99/97/1017849997.db2.gz BDKQTSXGEYYEPG-IAZYJMLFSA-N -1 0 307.306 -0.132 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2cn[nH]c2)CC1 ZINC001601441785 1017850022 /nfs/dbraw/zinc/85/00/22/1017850022.db2.gz XCQYQUUQECAKCI-WDEREUQCSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)c3cnon3)C2)n1 ZINC001601443462 1017850222 /nfs/dbraw/zinc/85/02/22/1017850222.db2.gz NMIIAORWTJOQKA-SSDOTTSWSA-N -1 0 304.266 -0.434 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@H]2CCN(c3ncccc3F)C2)C1 ZINC001601443424 1017850386 /nfs/dbraw/zinc/85/03/86/1017850386.db2.gz MCBWMPPVJDRWPB-VIFPVBQESA-N -1 0 324.312 -0.360 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC001601443210 1017850416 /nfs/dbraw/zinc/85/04/16/1017850416.db2.gz GYGIBQSXDHWVFB-JTQLQIEISA-N -1 0 306.322 -0.499 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2ccnnc2)CC1 ZINC001601442051 1017850470 /nfs/dbraw/zinc/85/04/70/1017850470.db2.gz YVWZCYSZGABDHO-NEPJUHHUSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)CNC(=O)c2ncccc2O)C1 ZINC001601446745 1017850587 /nfs/dbraw/zinc/85/05/87/1017850587.db2.gz POLZAALUORAPIS-CYBMUJFWSA-N -1 0 311.269 -0.458 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)C1 ZINC001601444039 1017850690 /nfs/dbraw/zinc/85/06/90/1017850690.db2.gz GJWZCDAITUDKOQ-CABZTGNLSA-N -1 0 300.311 -0.835 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2csnn2)CC1 ZINC001601441463 1017850695 /nfs/dbraw/zinc/85/06/95/1017850695.db2.gz SPHGSHXXYNOUEM-IUCAKERBSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC001601447178 1017850807 /nfs/dbraw/zinc/85/08/07/1017850807.db2.gz VVIZLBIVKCQYQS-CMPLNLGQSA-N -1 0 324.308 -0.151 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)C[C@H]1COCC2 ZINC001601448238 1017850903 /nfs/dbraw/zinc/85/09/03/1017850903.db2.gz PUVPWRBTSVIULA-GBNBPPIOSA-N -1 0 322.361 -0.149 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2cnn3cc[nH]c23)C1 ZINC001601448692 1017851183 /nfs/dbraw/zinc/85/11/83/1017851183.db2.gz RRCTUVBFSSTNMH-IUCAKERBSA-N -1 0 317.305 -0.676 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001601449401 1017851363 /nfs/dbraw/zinc/85/13/63/1017851363.db2.gz WGOXEXCYCYEPDL-UWVGGRQHSA-N -1 0 318.333 -0.052 20 0 DBADRM O=C([O-])c1cc(F)c(F)cc1NC(=O)C(=O)NC[C@@H](O)CO ZINC001601466078 1017851840 /nfs/dbraw/zinc/85/18/40/1017851840.db2.gz GQZOXWDAHRDKKN-RXMQYKEDSA-N -1 0 318.232 -0.929 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)c1cnn(CCO)c1)Cc1ccncc1 ZINC001601462452 1017851947 /nfs/dbraw/zinc/85/19/47/1017851947.db2.gz GSDTXBOJSATNAN-GFCCVEGCSA-N -1 0 318.333 -0.056 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)c2ccncc2)n1 ZINC001601460347 1017851999 /nfs/dbraw/zinc/85/19/99/1017851999.db2.gz CMUFUVZLAAPQPC-JTQLQIEISA-N -1 0 317.305 -0.806 20 0 DBADRM O=C([O-])c1cc(C(=O)NCC23COCCN2CCOC3)no1 ZINC001601476637 1017852184 /nfs/dbraw/zinc/85/21/84/1017852184.db2.gz BEYLMLFZRSEJIE-UHFFFAOYSA-N -1 0 311.294 -0.796 20 0 DBADRM O=C([O-])C1(CNC(=O)c2ccnc(N3CCOCC3)n2)CC1 ZINC001601469918 1017852437 /nfs/dbraw/zinc/85/24/37/1017852437.db2.gz UWJVVCLHOYBEOR-UHFFFAOYSA-N -1 0 306.322 -0.092 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CC(=O)N(C3CC3)C2)CCOCC1 ZINC001601472914 1017852534 /nfs/dbraw/zinc/85/25/34/1017852534.db2.gz VJFPMKSEAYOFCK-UHFFFAOYSA-N -1 0 311.338 -0.159 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)NCC2(C3CC3)CC2)CC1 ZINC001601474594 1017852713 /nfs/dbraw/zinc/85/27/13/1017852713.db2.gz CUGUDHZMSKZFPG-GFCCVEGCSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])C1(CNC(=O)c2cc(N3CCOCC3)ncn2)CC1 ZINC001601469518 1017852896 /nfs/dbraw/zinc/85/28/96/1017852896.db2.gz CWMDZVSVJXXYST-UHFFFAOYSA-N -1 0 306.322 -0.092 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)[C@H]2CCc3nnnn3CC2)CCOC1 ZINC001601471892 1017852933 /nfs/dbraw/zinc/85/29/33/1017852933.db2.gz AIUPQMGKGLXGOC-TVQRCGJNSA-N -1 0 309.326 -0.767 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)c2cn[nH]n2)CCCC1 ZINC001601476071 1017852979 /nfs/dbraw/zinc/85/29/79/1017852979.db2.gz MBJJOEPHDQQETG-BDAKNGLRSA-N -1 0 321.337 -0.316 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)c3cnccn3)CC2)n1 ZINC001601475763 1017853000 /nfs/dbraw/zinc/85/30/00/1017853000.db2.gz JIDHMOHDZMNFTH-UHFFFAOYSA-N -1 0 314.305 -0.239 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001601479050 1017853290 /nfs/dbraw/zinc/85/32/90/1017853290.db2.gz OKMLQHYHIYJOAA-AATLWQCWSA-N -1 0 302.302 -0.401 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@H]1CCCO1)C2 ZINC001601484456 1017853881 /nfs/dbraw/zinc/85/38/81/1017853881.db2.gz QFBCSEATQZCRCQ-RWSFTLGLSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)c1cnc[nH]c1=O ZINC001601491040 1017854226 /nfs/dbraw/zinc/85/42/26/1017854226.db2.gz HSUSQEOQACVHKC-NFXAZMQOSA-N -1 0 320.305 -0.695 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2ccnnc2)C1 ZINC001601488562 1017854403 /nfs/dbraw/zinc/85/44/03/1017854403.db2.gz SQRGOOFZDQGCBO-WDEREUQCSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])c1nccc(NCC=CCNC(=O)c2cnsn2)n1 ZINC001601493577 1017854466 /nfs/dbraw/zinc/85/44/66/1017854466.db2.gz ZRXZRLDMWHCLML-UPHRSURJSA-N -1 0 320.334 -0.154 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001601487940 1017854500 /nfs/dbraw/zinc/85/45/00/1017854500.db2.gz KQAONVMJDWUKFU-WDEREUQCSA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC/C=C/CO)c2ccccc2O1 ZINC001601490719 1017854675 /nfs/dbraw/zinc/85/46/75/1017854675.db2.gz GWFJGYVFMKDVKH-PCAWENJQSA-N -1 0 320.301 -0.470 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NCCC(F)(F)F)C1 ZINC001601492128 1017854795 /nfs/dbraw/zinc/85/47/95/1017854795.db2.gz KZIKXSJEIZCDEP-BQBZGAKWSA-N -1 0 312.244 -0.651 20 0 DBADRM O=C([O-])c1nccc(NC/C=C\CNC(=O)c2ccnnc2)n1 ZINC001601493520 1017854839 /nfs/dbraw/zinc/85/48/39/1017854839.db2.gz XVKDLKLTEIPMKF-UPHRSURJSA-N -1 0 314.305 -0.215 20 0 DBADRM O=C([O-])c1nccc(NC/C=C/CNC(=O)c2cncnc2)n1 ZINC001601492549 1017854883 /nfs/dbraw/zinc/85/48/83/1017854883.db2.gz RGFZAXFKQLYBGL-OWOJBTEDSA-N -1 0 314.305 -0.215 20 0 DBADRM O=C([O-])c1nccc(NCC=CCNC(=O)c2ccon2)n1 ZINC001601492087 1017855089 /nfs/dbraw/zinc/85/50/89/1017855089.db2.gz ORVLXIQMUMQVBJ-OWOJBTEDSA-N -1 0 303.278 -0.017 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)CCNC(=O)c2ccc(F)cc2)C1 ZINC001601490955 1017855142 /nfs/dbraw/zinc/85/51/42/1017855142.db2.gz GXSLGURJWYOFRN-OAHLLOKOSA-N -1 0 324.308 -0.006 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCCC(F)(F)F)C1 ZINC001601492135 1017855201 /nfs/dbraw/zinc/85/52/01/1017855201.db2.gz KZIKXSJEIZCDEP-RNFRBKRXSA-N -1 0 312.244 -0.651 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCCN1CCSCC1 ZINC001601502231 1017855886 /nfs/dbraw/zinc/85/58/86/1017855886.db2.gz LPARBTAQBUSEHO-GHMZBOCLSA-N -1 0 317.411 -0.176 20 0 DBADRM O=C([O-])c1nccc(N(CCNC(=O)c2cn[nH]n2)C2CC2)n1 ZINC001601501783 1017855920 /nfs/dbraw/zinc/85/59/20/1017855920.db2.gz NXGFOBHRBCGYLW-UHFFFAOYSA-N -1 0 317.309 -0.308 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCCC2(O)CCC2)nn1 ZINC001601494597 1017856297 /nfs/dbraw/zinc/85/62/97/1017856297.db2.gz GLVIVLCZYIUAFA-UHFFFAOYSA-N -1 0 311.342 -0.029 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1cnn(C(F)F)c1 ZINC001601504792 1017856516 /nfs/dbraw/zinc/85/65/16/1017856516.db2.gz ZYCGEELJDYLRAL-HTQZYQBOSA-N -1 0 316.264 -0.155 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)NCCOCC(F)F)C2 ZINC001601505571 1017856892 /nfs/dbraw/zinc/85/68/92/1017856892.db2.gz OENNQIZOYAWDCM-UJVNDKKSSA-N -1 0 320.292 -0.246 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNC(=O)C(=O)Nc1ccccc1 ZINC001601504654 1017856916 /nfs/dbraw/zinc/85/69/16/1017856916.db2.gz YKBZVYMYCXWCGE-WDEREUQCSA-N -1 0 319.317 -0.422 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNC(=O)C(=O)Nc1ccccc1 ZINC001601504651 1017857170 /nfs/dbraw/zinc/85/71/70/1017857170.db2.gz YKBZVYMYCXWCGE-GHMZBOCLSA-N -1 0 319.317 -0.422 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NCCOC1CCSCC1 ZINC001601503849 1017857195 /nfs/dbraw/zinc/85/71/95/1017857195.db2.gz URJRZHIYCYATBU-VIFPVBQESA-N -1 0 322.358 -0.446 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNC(=O)c1cn2cccnc2n1 ZINC001601502886 1017857216 /nfs/dbraw/zinc/85/72/16/1017857216.db2.gz CBIOFKXCEWIGTN-IUCAKERBSA-N -1 0 317.305 -0.704 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNC(=O)c1cc2ncccn2n1 ZINC001601502905 1017857415 /nfs/dbraw/zinc/85/74/15/1017857415.db2.gz CNJKRRWMGUROLW-IUCAKERBSA-N -1 0 317.305 -0.704 20 0 DBADRM O=C([O-])C1CC2(C1)C[C@H](NC(=O)NCCO)CCS2(=O)=O ZINC001601504268 1017857464 /nfs/dbraw/zinc/85/74/64/1017857464.db2.gz ITTQTVZAPWTGIB-NBBOBHDQSA-N -1 0 320.367 -0.912 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@@H](CO)CC2CCC2)nn1 ZINC001601517759 1017857691 /nfs/dbraw/zinc/85/76/91/1017857691.db2.gz LDEVGNVNOFBKFI-SNVBAGLBSA-N -1 0 311.342 -0.173 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C(=O)c2ccc(O)cc2)nn1 ZINC001601517450 1017857718 /nfs/dbraw/zinc/85/77/18/1017857718.db2.gz JZICIHKLJLSAQP-UHFFFAOYSA-N -1 0 304.262 -0.319 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCCc2cn3ccccc3n2)C1 ZINC001601515623 1017857739 /nfs/dbraw/zinc/85/77/39/1017857739.db2.gz YYYIFGWKIJMOPK-UHFFFAOYSA-N -1 0 304.306 -0.282 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCCc2ccc3c[nH]nc3c2)C1 ZINC001601512405 1017857782 /nfs/dbraw/zinc/85/77/82/1017857782.db2.gz TVIUBWHEAHWARM-UHFFFAOYSA-N -1 0 304.306 -0.054 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)C1CCN(c2cnccn2)CC1 ZINC001601510245 1017857888 /nfs/dbraw/zinc/85/78/88/1017857888.db2.gz ZMADKEWQLHFPOY-NSHDSACASA-N -1 0 308.338 -0.355 20 0 DBADRM O=C(NCCOc1cccnc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601506832 1017857900 /nfs/dbraw/zinc/85/79/00/1017857900.db2.gz UEPTXXWOAGNDRS-AOOOYVTPSA-N -1 0 307.306 -0.444 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)c1ccn(CCn2cccn2)n1 ZINC001601508367 1017858080 /nfs/dbraw/zinc/85/80/80/1017858080.db2.gz MPWVVKAWAYOLKZ-NSHDSACASA-N -1 0 307.310 -0.655 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCc2nc(C3CC3)no2)nn1 ZINC001601516933 1017858106 /nfs/dbraw/zinc/85/81/06/1017858106.db2.gz QQGDJOYIGGYUFG-UHFFFAOYSA-N -1 0 321.297 -0.264 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC001601510081 1017858115 /nfs/dbraw/zinc/85/81/15/1017858115.db2.gz VPEHCTUZQRXWKO-BQBZGAKWSA-N -1 0 312.244 -0.509 20 0 DBADRM O=C([O-])[C@H](CCNC(=O)C1CSC1)NC(=O)C1CSC1 ZINC001601507455 1017858157 /nfs/dbraw/zinc/85/81/57/1017858157.db2.gz CIPLTDVKCQZLRN-VIFPVBQESA-N -1 0 318.420 -0.212 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)c1ccccc1Cn1ccnn1 ZINC001601509708 1017858341 /nfs/dbraw/zinc/85/83/41/1017858341.db2.gz KRMHEFVRNXHYCY-LBPRGKRZSA-N -1 0 304.306 -0.108 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001601520148 1017858848 /nfs/dbraw/zinc/85/88/48/1017858848.db2.gz NKEDEPSGHUYONP-ZLUOBGJFSA-N -1 0 321.248 -0.252 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001601522762 1017858877 /nfs/dbraw/zinc/85/88/77/1017858877.db2.gz FUBBAZNKHZTODO-RMPHRYRLSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC001601519914 1017858905 /nfs/dbraw/zinc/85/89/05/1017858905.db2.gz JCRSOQZJIKPVGS-UTLUCORTSA-N -1 0 302.302 -0.401 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1OC2CCC1CC2 ZINC001601523003 1017858935 /nfs/dbraw/zinc/85/89/35/1017858935.db2.gz RZVRJZHOOBWBEA-AGVGLQIMSA-N -1 0 312.322 -0.323 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC001601519913 1017859095 /nfs/dbraw/zinc/85/90/95/1017859095.db2.gz JCRSOQZJIKPVGS-LPEHRKFASA-N -1 0 302.302 -0.401 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC(F)(F)C1 ZINC001601522885 1017859197 /nfs/dbraw/zinc/85/91/97/1017859197.db2.gz LVWBRRPCCDFUDK-HRDYMLBCSA-N -1 0 320.292 -0.104 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC001601521604 1017859322 /nfs/dbraw/zinc/85/93/22/1017859322.db2.gz ZJKZLGLHGPUSDU-LPEHRKFASA-N -1 0 302.302 -0.447 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CC[C@H](c2nccs2)C1 ZINC001601521096 1017859545 /nfs/dbraw/zinc/85/95/45/1017859545.db2.gz UJTWJPQDSPMNQI-YUMQZZPRSA-N -1 0 315.326 -0.002 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1ccncc1NC(=O)C(F)(F)F ZINC001601524147 1017859690 /nfs/dbraw/zinc/85/96/90/1017859690.db2.gz UWTCVDMTICDBRD-ZETCQYMHSA-N -1 0 321.211 -0.242 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2cncnc2)C1 ZINC001601525140 1017859834 /nfs/dbraw/zinc/85/98/34/1017859834.db2.gz CXKZESNWFKYWGR-KLHWPWHYSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC001601526699 1017860084 /nfs/dbraw/zinc/86/00/84/1017860084.db2.gz HSJFNDPRWNMRCM-OSQNNJELSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001601523279 1017860184 /nfs/dbraw/zinc/86/01/84/1017860184.db2.gz BCDRMZSLONHLND-PRJMDXOYSA-N -1 0 315.244 -0.468 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001601526666 1017860249 /nfs/dbraw/zinc/86/02/49/1017860249.db2.gz GHMQIWXIXLBUFX-KKOKHZNYSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC001601524019 1017860408 /nfs/dbraw/zinc/86/04/08/1017860408.db2.gz MWYJVBUDIKIIPK-QWRGUYRKSA-N -1 0 324.358 -0.237 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1c(Br)nc2n1CCC2 ZINC001601523723 1017860474 /nfs/dbraw/zinc/86/04/74/1017860474.db2.gz JQNMCUAOSUMTFD-YFKPBYRVSA-N -1 0 318.127 -0.233 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)NCc2ccccn2)CC1 ZINC001601544761 1017860894 /nfs/dbraw/zinc/86/08/94/1017860894.db2.gz ZZDNTWIOVXRJRI-LBPRGKRZSA-N -1 0 321.333 -0.618 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)c2cnn(C[C@@H](O)CO)c2)cn1 ZINC001601535097 1017860904 /nfs/dbraw/zinc/86/09/04/1017860904.db2.gz GZIVAXOQVPLUNX-LLVKDONJSA-N -1 0 320.305 -0.741 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NCc2ccc(F)c(F)c2)C1 ZINC001601537928 1017861195 /nfs/dbraw/zinc/86/11/95/1017861195.db2.gz FHBOKCYBIAVGNI-UHFFFAOYSA-N -1 0 314.244 -0.761 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C(F)F)C1 ZINC001601527001 1017861284 /nfs/dbraw/zinc/86/12/84/1017861284.db2.gz MZGUAHVXDKPJMV-PRJMDXOYSA-N -1 0 306.265 -0.684 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C(F)F)CC1 ZINC001601526954 1017861381 /nfs/dbraw/zinc/86/13/81/1017861381.db2.gz LGVVXAGYZHSCGB-HLTSFMKQSA-N -1 0 320.292 -0.294 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)NCc2ccccc2)CC1 ZINC001601542162 1017861411 /nfs/dbraw/zinc/86/14/11/1017861411.db2.gz CSWYYVYBCQSLSE-ZDUSSCGKSA-N -1 0 320.345 -0.013 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCc2cccc(F)c2)C1 ZINC001601541227 1017861534 /nfs/dbraw/zinc/86/15/34/1017861534.db2.gz HIKVMZJZZOFZPK-CMPLNLGQSA-N -1 0 324.308 -0.264 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC001601538187 1017861558 /nfs/dbraw/zinc/86/15/58/1017861558.db2.gz PNCFXHOPBYSXFB-AWEZNQCLSA-N -1 0 310.281 -0.510 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)N1CCN3CCOC[C@H]3C1)C2 ZINC001601573613 1017862110 /nfs/dbraw/zinc/86/21/10/1017862110.db2.gz AKSOPZFNHRCNMQ-ZAZJYDDPSA-N -1 0 309.366 -0.034 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)C1 ZINC001601570536 1017862136 /nfs/dbraw/zinc/86/21/36/1017862136.db2.gz OLGKDJJDWBHFTB-KZTGVZKYSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1cncc(-n2ccnn2)c1 ZINC001601570298 1017862438 /nfs/dbraw/zinc/86/24/38/1017862438.db2.gz GFUDWJDADBNPDT-WDEREUQCSA-N -1 0 303.278 -0.366 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)c1cc2ncccn2n1 ZINC001601568680 1017862604 /nfs/dbraw/zinc/86/26/04/1017862604.db2.gz ZZMPYNYJEUSZOT-SNVBAGLBSA-N -1 0 300.278 -0.122 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2cncnc2)C1 ZINC001601573132 1017862769 /nfs/dbraw/zinc/86/27/69/1017862769.db2.gz BCDXBVNODINXBM-YTWAJWBKSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)N1C3CCC1(CO)CC3)C2 ZINC001601573899 1017862918 /nfs/dbraw/zinc/86/29/18/1017862918.db2.gz NUCKAVDWLNGNJW-NPFSSJKBSA-N -1 0 322.361 -0.128 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC001601593547 1017863497 /nfs/dbraw/zinc/86/34/97/1017863497.db2.gz BDXFOZGUTSXZAK-UHFFFAOYSA-N -1 0 304.266 -0.675 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001601577969 1017863688 /nfs/dbraw/zinc/86/36/88/1017863688.db2.gz SNCGPQMIEOGTNY-AATLWQCWSA-N -1 0 306.322 -0.245 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnn1 ZINC001601579463 1017863706 /nfs/dbraw/zinc/86/37/06/1017863706.db2.gz WLXJHLYXQIDRAO-OMHSBUABSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)C(=O)N(CCO)C3CC3)[C@@H]2C1 ZINC001601577958 1017863923 /nfs/dbraw/zinc/86/39/23/1017863923.db2.gz SISWDLQUHLIRDA-DMWPJOQESA-N -1 0 310.350 -0.415 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnns1 ZINC001601577939 1017864042 /nfs/dbraw/zinc/86/40/42/1017864042.db2.gz JHAUVPQEEMVXIU-KUIGQIJESA-N -1 0 322.346 -0.555 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)NC2COCCOC2)c1 ZINC001601585742 1017864105 /nfs/dbraw/zinc/86/41/05/1017864105.db2.gz UJIBGAGGMGYSES-UHFFFAOYSA-N -1 0 314.319 -0.084 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)C(=O)N(CCO)C3CCC3)[C@@H]2C1 ZINC001601578913 1017864140 /nfs/dbraw/zinc/86/41/40/1017864140.db2.gz YYXZLHCMUPLWAI-DNIRFERGSA-N -1 0 324.377 -0.025 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)c1cc(CN2CCCC2)on1 ZINC001601577619 1017864325 /nfs/dbraw/zinc/86/43/25/1017864325.db2.gz DCHPPIDFBDXCOQ-DEZZCRIOSA-N -1 0 309.322 -0.022 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)N[C@H]2CCNC2=O)ccc1F ZINC001601605777 1017864657 /nfs/dbraw/zinc/86/46/57/1017864657.db2.gz WWONSDVQVKIQOE-VIFPVBQESA-N -1 0 309.253 -0.533 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001601649611 1017864773 /nfs/dbraw/zinc/86/47/73/1017864773.db2.gz LDQOYNVBNGZWQX-MXWKQRLJSA-N -1 0 304.318 -0.595 20 0 DBADRM O=C([O-])[C@H](CNS(=O)(=O)Cc1ccno1)[C@@H]1CCOC1 ZINC001601651254 1017865060 /nfs/dbraw/zinc/86/50/60/1017865060.db2.gz KOWHUMRSPDOYIQ-PSASIEDQSA-N -1 0 304.324 -0.169 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC001601655521 1017865289 /nfs/dbraw/zinc/86/52/89/1017865289.db2.gz NGUCBOBUGCFFLZ-FXQIFTODSA-N -1 0 315.244 -0.468 20 0 DBADRM O=C([O-])[C@@H](CNS(=O)(=O)CCn1cccn1)[C@@H]1CCOC1 ZINC001601654232 1017865649 /nfs/dbraw/zinc/86/56/49/1017865649.db2.gz ZNWJVKRWFGYMGG-MNOVXSKESA-N -1 0 317.367 -0.460 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NS(=O)(=O)CCOCC1CC1 ZINC001601646379 1017865700 /nfs/dbraw/zinc/86/57/00/1017865700.db2.gz STVWKFDTYJQGNH-SNVBAGLBSA-N -1 0 323.367 -0.451 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NS(=O)(=O)N1CCCC1 ZINC001601645454 1017865714 /nfs/dbraw/zinc/86/57/14/1017865714.db2.gz RLTOYMRFTRERPW-SECBINFHSA-N -1 0 308.356 -0.477 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCCN(C2CC2)C1=O ZINC001601662789 1017865933 /nfs/dbraw/zinc/86/59/33/1017865933.db2.gz KRPNHBDKUZUQII-RYUDHWBXSA-N -1 0 320.349 -0.147 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCCC12OCCO2 ZINC001601662215 1017865971 /nfs/dbraw/zinc/86/59/71/1017865971.db2.gz HGMZTHRKAXHACZ-GHMZBOCLSA-N -1 0 309.322 -0.004 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@H]1CSCCS1 ZINC001601663001 1017866206 /nfs/dbraw/zinc/86/62/06/1017866206.db2.gz MUPXQVCXXUXKQV-HTQZYQBOSA-N -1 0 302.381 -0.304 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)COCc2cc[nH]c(=O)c2)CC1 ZINC001601681009 1017866421 /nfs/dbraw/zinc/86/64/21/1017866421.db2.gz AJUULFOKFRHBKC-AWEZNQCLSA-N -1 0 324.333 -0.012 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001601663046 1017866609 /nfs/dbraw/zinc/86/66/09/1017866609.db2.gz OKUGHHFEIJWUOK-BDAKNGLRSA-N -1 0 301.324 -0.970 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001601663048 1017866647 /nfs/dbraw/zinc/86/66/47/1017866647.db2.gz OKUGHHFEIJWUOK-IUCAKERBSA-N -1 0 301.324 -0.970 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001601662284 1017866958 /nfs/dbraw/zinc/86/69/58/1017866958.db2.gz IBGRIQPMGSUGGC-QJPTWQEYSA-N -1 0 308.338 -0.090 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)COC[C@H]2CCCO2)CC1 ZINC001601682085 1017867173 /nfs/dbraw/zinc/86/71/73/1017867173.db2.gz HFJIXTAQAPESPB-YPMHNXCESA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])[C@]1(CNS(=O)(=O)CC[C@@H]2CCOC2)CCOC1 ZINC001601710802 1017867293 /nfs/dbraw/zinc/86/72/93/1017867293.db2.gz HMROHVSXRTUBHG-JQWIXIFHSA-N -1 0 307.368 -0.176 20 0 DBADRM O=C([O-])C1(CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1 ZINC001601708568 1017867391 /nfs/dbraw/zinc/86/73/91/1017867391.db2.gz BOTDVVDECVQMRY-UHFFFAOYSA-N -1 0 314.367 -0.419 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)CC2(CCC2)C1 ZINC001601705159 1017867547 /nfs/dbraw/zinc/86/75/47/1017867547.db2.gz ZUZXBLSMYBDGSK-RKDXNWHRSA-N -1 0 317.363 -0.704 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001601684828 1017867622 /nfs/dbraw/zinc/86/76/22/1017867622.db2.gz VZRRUSVOTXMFMG-ONGXEEELSA-N -1 0 324.337 -0.770 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)NCc2nnc3n2CCC3)CC1 ZINC001601683539 1017867703 /nfs/dbraw/zinc/86/77/03/1017867703.db2.gz BSQQNEDTODHTJI-GFCCVEGCSA-N -1 0 323.353 -0.409 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@]2(CO)COCCN2)CC2(CCC2)C1 ZINC001601700459 1017867963 /nfs/dbraw/zinc/86/79/63/1017867963.db2.gz UIUMVBSKNLISEN-AWEZNQCLSA-N -1 0 312.366 -0.511 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H](O)[C@H]2CCCO2)CCC1 ZINC001601712162 1017869042 /nfs/dbraw/zinc/86/90/42/1017869042.db2.gz CBDLYSCWTAMYQG-NXEZZACHSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@]2(CCO)CCOC2)CCC1 ZINC001601715161 1017869120 /nfs/dbraw/zinc/86/91/20/1017869120.db2.gz LRCFMJQPMJYBPS-GFCCVEGCSA-N -1 0 321.395 -0.050 20 0 DBADRM O=C([O-])[C@]1(N2CCN(S(=O)(=O)CCCF)CC2)CCOC1 ZINC001601720515 1017869191 /nfs/dbraw/zinc/86/91/91/1017869191.db2.gz UUMVRUCDKSGNDN-LBPRGKRZSA-N -1 0 324.374 -0.463 20 0 DBADRM O=C([O-])[C@]1(CNS(=O)(=O)CCn2cccn2)CCOC1 ZINC001601711391 1017869318 /nfs/dbraw/zinc/86/93/18/1017869318.db2.gz QZYVYXBXAUYMOA-NSHDSACASA-N -1 0 303.340 -0.706 20 0 DBADRM O=C([O-])[C@]1(O)CCN(c2cc(N3CCCC[C@@H]3CO)ncn2)C1 ZINC001601723014 1017869917 /nfs/dbraw/zinc/86/99/17/1017869917.db2.gz SDUFDMBMOURCNW-ABAIWWIYSA-N -1 0 322.365 -0.146 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)CCC[C@H]2CCOC2)C1 ZINC001601723660 1017870241 /nfs/dbraw/zinc/87/02/41/1017870241.db2.gz STPRXALUAJPSPP-JQWIXIFHSA-N -1 0 307.368 -0.346 20 0 DBADRM O=C([O-])C1(O)CN(c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC001601726340 1017870244 /nfs/dbraw/zinc/87/02/44/1017870244.db2.gz MCZUQSIZVFIJTD-UHFFFAOYSA-N -1 0 312.347 -0.237 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(c2cc(N3CCCC[C@@H]3CO)ncn2)C1 ZINC001601723015 1017870518 /nfs/dbraw/zinc/87/05/18/1017870518.db2.gz SDUFDMBMOURCNW-IAQYHMDHSA-N -1 0 322.365 -0.146 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCN3CCOC[C@H]3C2)CCC1 ZINC001601724037 1017870573 /nfs/dbraw/zinc/87/05/73/1017870573.db2.gz AOPDQRKKHJKEDT-SNVBAGLBSA-N -1 0 304.368 -0.660 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC001601723882 1017870576 /nfs/dbraw/zinc/87/05/76/1017870576.db2.gz WCWLGILOQQWBQH-GVXVVHGQSA-N -1 0 319.379 -0.205 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC001601736657 1017870863 /nfs/dbraw/zinc/87/08/63/1017870863.db2.gz INTJGJXCVFXFFS-YFKTTZPYSA-N -1 0 308.334 -0.495 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)[C@]3(O)CCSC3)C2)C1 ZINC001601738811 1017870889 /nfs/dbraw/zinc/87/08/89/1017870889.db2.gz JTLRMZBYRRDPGF-NEPJUHHUSA-N -1 0 300.336 -0.314 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)N(CCO)CCOCCO)C1 ZINC001601736689 1017871531 /nfs/dbraw/zinc/87/15/31/1017871531.db2.gz ZKZRUJOKMGYPNU-LLVKDONJSA-N -1 0 302.327 -0.827 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)C(=O)NC[C@@H]3C=CCC3)C2)C1 ZINC001601738586 1017871616 /nfs/dbraw/zinc/87/16/16/1017871616.db2.gz FLFICEPHFWHBBV-BMIGLBTASA-N -1 0 321.333 -0.099 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(CN3C(=O)[C@@H]4CC[C@@H]4C3=O)C2)C1 ZINC001601747080 1017872114 /nfs/dbraw/zinc/87/21/14/1017872114.db2.gz YKIPQVBBDKXETC-QIBSRJKCSA-N -1 0 307.306 -0.356 20 0 DBADRM O=C([O-])C1=CC[C@H](n2nnnc2N2CC(=O)N(C3CC3)C2)C1 ZINC001601740880 1017872288 /nfs/dbraw/zinc/87/22/88/1017872288.db2.gz VDQZUSXQQJWWSS-JTQLQIEISA-N -1 0 304.310 -0.213 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)COc1ccc(CO)cc1 ZINC001601750493 1017872520 /nfs/dbraw/zinc/87/25/20/1017872520.db2.gz HRTDIYHZRAKNAN-OCCSQVGLSA-N -1 0 309.318 -0.006 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)C(=O)N[C@@H]3CC34CCC4)C2)C1 ZINC001601740700 1017872566 /nfs/dbraw/zinc/87/25/66/1017872566.db2.gz WTJPQIXXVUZVNS-BMIGLBTASA-N -1 0 321.333 -0.123 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(CN3C(=O)[C@@H]4CC[C@@H]4C3=O)C2)C1 ZINC001601747081 1017872808 /nfs/dbraw/zinc/87/28/08/1017872808.db2.gz YKIPQVBBDKXETC-TVLCNXBWSA-N -1 0 307.306 -0.356 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](F)C3)C2)C1 ZINC001601739967 1017872833 /nfs/dbraw/zinc/87/28/33/1017872833.db2.gz RQPMQCSJARIKJJ-SDBXPKJASA-N -1 0 313.285 -0.611 20 0 DBADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC001601756468 1017873222 /nfs/dbraw/zinc/87/32/22/1017873222.db2.gz UCOPVRORGDRMGU-NRUUGDAUSA-N -1 0 323.349 -0.331 20 0 DBADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC001601756466 1017873348 /nfs/dbraw/zinc/87/33/48/1017873348.db2.gz UCOPVRORGDRMGU-KWBADKCTSA-N -1 0 323.349 -0.331 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1ccnc(-n2cncn2)c1 ZINC001601758394 1017873601 /nfs/dbraw/zinc/87/36/01/1017873601.db2.gz QCGQWDBVQTYNIZ-PWSUYJOCSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1Cc1cn(C[C@@H]2CCCO2)nn1 ZINC001601754895 1017873605 /nfs/dbraw/zinc/87/36/05/1017873605.db2.gz OSMDZHMTQGJUNU-AVGNSLFASA-N -1 0 310.354 -0.133 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1cccc(-n2cnnn2)c1 ZINC001601758571 1017873816 /nfs/dbraw/zinc/87/38/16/1017873816.db2.gz RFESUKROLPTGLJ-VXGBXAGGSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCCC[C@H]2CCOC2=O)C1 ZINC001601764384 1017874519 /nfs/dbraw/zinc/87/45/19/1017874519.db2.gz STWAKNJIWFWLAU-HBNTYKKESA-N -1 0 314.338 -0.193 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC(F)CC2)C1 ZINC001601760411 1017874722 /nfs/dbraw/zinc/87/47/22/1017874722.db2.gz LMDKZGUDLXVDDZ-WCBMZHEXSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCCC[C@@H]2CCOC2=O)C1 ZINC001601764386 1017875009 /nfs/dbraw/zinc/87/50/09/1017875009.db2.gz STWAKNJIWFWLAU-MXWKQRLJSA-N -1 0 314.338 -0.193 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)C2CCSCC2)C1 ZINC001601761076 1017875027 /nfs/dbraw/zinc/87/50/27/1017875027.db2.gz ZZRMCLBTQBLDNZ-VHSXEESVSA-N -1 0 301.364 -0.007 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2ccc3c(n2)OCCO3)C1 ZINC001601763560 1017875116 /nfs/dbraw/zinc/87/51/16/1017875116.db2.gz IZFKCKDUKXMAOT-BDAKNGLRSA-N -1 0 308.290 -0.240 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@H]2CC(c3ccccn3)=NO2)C1 ZINC001601766765 1017875415 /nfs/dbraw/zinc/87/54/15/1017875415.db2.gz OZKNZOLOQAIGPV-GIPNMCIBSA-N -1 0 319.317 -0.131 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2cccc(-n3cncn3)n2)C1 ZINC001601767757 1017875474 /nfs/dbraw/zinc/87/54/74/1017875474.db2.gz XTCHLTXJHAUBGJ-ZJUUUORDSA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)CN2C(=O)Cc3ccccc32)C1 ZINC001601768329 1017875493 /nfs/dbraw/zinc/87/54/93/1017875493.db2.gz UKIITJTYMRWWMW-VXGBXAGGSA-N -1 0 318.329 -0.130 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(Cc2cn(Cc3cccnc3)nn2)C1 ZINC001601768628 1017875591 /nfs/dbraw/zinc/87/55/91/1017875591.db2.gz JYQMPDXWHNYOGQ-TZMCWYRMSA-N -1 0 317.349 -0.011 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001601765919 1017875669 /nfs/dbraw/zinc/87/56/69/1017875669.db2.gz AQACMDLEUXDNCH-QWRGUYRKSA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001601769182 1017875686 /nfs/dbraw/zinc/87/56/86/1017875686.db2.gz YLUMPSLHMPPDAG-AXFHLTTASA-N -1 0 319.379 -0.505 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]3C2)C1 ZINC001601768901 1017875883 /nfs/dbraw/zinc/87/58/83/1017875883.db2.gz XLYXSCJIMUIBFK-WHOHXGKFSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2cccc(-n3cncn3)n2)C1 ZINC001601767756 1017875901 /nfs/dbraw/zinc/87/59/01/1017875901.db2.gz XTCHLTXJHAUBGJ-VHSXEESVSA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001601765953 1017876030 /nfs/dbraw/zinc/87/60/30/1017876030.db2.gz ATMKIWHQFLVSNP-GXSJLCMTSA-N -1 0 324.337 -0.463 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(c2cnc(N3CCCC3=O)cn2)C1 ZINC001601769725 1017876601 /nfs/dbraw/zinc/87/66/01/1017876601.db2.gz PVVWZUCMZDPHBC-VHSXEESVSA-N -1 0 306.322 -0.125 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001601776064 1017876726 /nfs/dbraw/zinc/87/67/26/1017876726.db2.gz RRPRVRFWTAJZOP-RNWYCLNJSA-N -1 0 308.334 -0.826 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(c2cnc(N3CCCC3=O)cn2)C1 ZINC001601769721 1017877009 /nfs/dbraw/zinc/87/70/09/1017877009.db2.gz PVVWZUCMZDPHBC-NXEZZACHSA-N -1 0 306.322 -0.125 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccccc2)C1 ZINC001601776770 1017877855 /nfs/dbraw/zinc/87/78/55/1017877855.db2.gz CEKMCAPIOIZDKK-VXGBXAGGSA-N -1 0 318.329 -0.290 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(Cc2nnc(C3CC3)o2)C1 ZINC001601776748 1017877889 /nfs/dbraw/zinc/87/78/89/1017877889.db2.gz BXXHBRNJIBPAGP-UWVGGRQHSA-N -1 0 306.322 -0.032 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(Cc2nnnn2C2CC2)CC1 ZINC001601777248 1017879052 /nfs/dbraw/zinc/87/90/52/1017879052.db2.gz HAEGVRGHBBSEGW-GHMZBOCLSA-N -1 0 320.353 -0.627 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)CCn2cncn2)CC1 ZINC001601777508 1017879154 /nfs/dbraw/zinc/87/91/54/1017879154.db2.gz IBIJUUXDDKLACX-MNOVXSKESA-N -1 0 321.337 -0.940 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)CCc2ccncn2)C1 ZINC001601777453 1017879190 /nfs/dbraw/zinc/87/91/90/1017879190.db2.gz FOFQLTBQZTUMOB-VXGBXAGGSA-N -1 0 318.333 -0.543 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2csnn2)C1 ZINC001601777757 1017879265 /nfs/dbraw/zinc/87/92/65/1017879265.db2.gz FLMUYYKWZYWXMZ-SFYZADRCSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001601777834 1017879461 /nfs/dbraw/zinc/87/94/61/1017879461.db2.gz ARPWDIMHTNDMRN-XSPKLOCKSA-N -1 0 309.326 -0.785 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)CCc2ccncn2)C1 ZINC001601777448 1017879592 /nfs/dbraw/zinc/87/95/92/1017879592.db2.gz FOFQLTBQZTUMOB-NWDGAFQWSA-N -1 0 318.333 -0.543 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2ccccn2)C1 ZINC001601779061 1017880103 /nfs/dbraw/zinc/88/01/03/1017880103.db2.gz KXCMLFJDPFZAMM-RYUDHWBXSA-N -1 0 305.334 -0.535 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2=O)CC1 ZINC001601778774 1017880232 /nfs/dbraw/zinc/88/02/32/1017880232.db2.gz MSBHEZCJEXGYCR-QWRGUYRKSA-N -1 0 323.349 -1.000 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)CC(F)(F)F)C1 ZINC001601779372 1017880362 /nfs/dbraw/zinc/88/03/62/1017880362.db2.gz LLXZKBPKSQOWJF-RNFRBKRXSA-N -1 0 324.255 -0.651 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC/C=C/CNc1nccn2nnnc12 ZINC001601779972 1017880436 /nfs/dbraw/zinc/88/04/36/1017880436.db2.gz KHZUDPMCRZUWPG-WMPCIOANSA-N -1 0 317.309 -0.676 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001601779155 1017880687 /nfs/dbraw/zinc/88/06/87/1017880687.db2.gz ONMPCBWUKGQJBU-FHUSYTEZSA-N -1 0 322.361 -0.340 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001601779036 1017880777 /nfs/dbraw/zinc/88/07/77/1017880777.db2.gz KPNBRMVYHNGGTC-JZRPKSSGSA-N -1 0 322.361 -0.293 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001601779612 1017880959 /nfs/dbraw/zinc/88/09/59/1017880959.db2.gz PFFQGEGUEVCLRP-MNOVXSKESA-N -1 0 319.317 -0.208 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(OC2CN(CCO)C2)CC1 ZINC001601779639 1017880985 /nfs/dbraw/zinc/88/09/85/1017880985.db2.gz PSAPNPRKWZKUON-CHWSQXEVSA-N -1 0 312.366 -0.609 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)Cc2cncnc2)C1 ZINC001601781222 1017881573 /nfs/dbraw/zinc/88/15/73/1017881573.db2.gz OAVXFKQLEBGLIO-VXGBXAGGSA-N -1 0 318.333 -0.686 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CCN(C(=O)C2CC2)CC1 ZINC001601783135 1017882711 /nfs/dbraw/zinc/88/27/11/1017882711.db2.gz WDHXRJFAOQBKLF-GHMZBOCLSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2cscn2)C1 ZINC001601783187 1017882795 /nfs/dbraw/zinc/88/27/95/1017882795.db2.gz WFZJMCMLOTVJSJ-ZJUUUORDSA-N -1 0 311.363 -0.473 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001601782069 1017882925 /nfs/dbraw/zinc/88/29/25/1017882925.db2.gz PRUAHERCEDZKCL-AMDVPWGISA-N -1 0 308.334 -0.637 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001601783306 1017882999 /nfs/dbraw/zinc/88/29/99/1017882999.db2.gz WULWMXMTRVEMBN-DTWKUNHWSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2ncccc2O)C1 ZINC001601781725 1017883121 /nfs/dbraw/zinc/88/31/21/1017883121.db2.gz STDFZIJVHQLOKT-RKDXNWHRSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN(C(=O)Cc1cc[nH]n1)C1CC1 ZINC001601782381 1017883203 /nfs/dbraw/zinc/88/32/03/1017883203.db2.gz QPHNAUOSOCCJGI-VXGBXAGGSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CCN(C(=O)C2CC2)CC1 ZINC001601783149 1017883412 /nfs/dbraw/zinc/88/34/12/1017883412.db2.gz WDHXRJFAOQBKLF-WDEREUQCSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001601784068 1017884024 /nfs/dbraw/zinc/88/40/24/1017884024.db2.gz YCPSZVAFSUZRIH-ZJUUUORDSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001601784061 1017884298 /nfs/dbraw/zinc/88/42/98/1017884298.db2.gz YCPSZVAFSUZRIH-NXEZZACHSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@]1(O)CCOC1 ZINC001601810095 1017885221 /nfs/dbraw/zinc/88/52/21/1017885221.db2.gz KKFOMMOKNIOWBS-JFGNBEQYSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)NCCn1cncn1 ZINC001601810630 1017884964 /nfs/dbraw/zinc/88/49/64/1017884964.db2.gz MHNOOSWXDBJMPV-ZJUUUORDSA-N -1 0 302.356 -0.159 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)NCCn1cncn1 ZINC001601810625 1017885369 /nfs/dbraw/zinc/88/53/69/1017885369.db2.gz MHNOOSWXDBJMPV-UWVGGRQHSA-N -1 0 302.356 -0.159 20 0 DBADRM O=C([O-])[C@H]1CC[C@H]2C(=O)N(CCN3CCNC3=O)C(=O)N2C1 ZINC001601800504 1017885395 /nfs/dbraw/zinc/88/53/95/1017885395.db2.gz WZILPUXBHCLWOG-IUCAKERBSA-N -1 0 310.310 -0.861 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@H](O)[C@H](F)C2)C1=O ZINC001601817832 1017886028 /nfs/dbraw/zinc/88/60/28/1017886028.db2.gz HPBHAZVRUSBNKQ-BBBLOLIVSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCn3nccc3C2)C1=O ZINC001601818464 1017886077 /nfs/dbraw/zinc/88/60/77/1017886077.db2.gz SJVXYRNBPYELHX-NSHDSACASA-N -1 0 306.322 -0.452 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H]([C@H]2CCCO2)C1 ZINC001601821789 1017886148 /nfs/dbraw/zinc/88/61/48/1017886148.db2.gz JVAZAZQQUCMENZ-OUAUKWLOSA-N -1 0 309.326 -0.456 20 0 DBADRM O=C([O-])C1CCN(C(=O)COC(=O)[C@H]2COCCO2)CC1 ZINC001601822299 1017886384 /nfs/dbraw/zinc/88/63/84/1017886384.db2.gz FKMGFCZCCMEEPG-SNVBAGLBSA-N -1 0 301.295 -0.732 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC(=O)N(CC3CC3)C2)C1=O ZINC001601818332 1017886407 /nfs/dbraw/zinc/88/64/07/1017886407.db2.gz LDUBUXHCOXNMFZ-NSHDSACASA-N -1 0 323.349 -0.652 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCCn3nccc32)C1=O ZINC001601818775 1017886416 /nfs/dbraw/zinc/88/64/16/1017886416.db2.gz PQZSBFOFKLPBGK-JTQLQIEISA-N -1 0 306.322 -0.057 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2[C@H]2CCN(C3CCC3)C2=O)C1 ZINC001601835270 1017886777 /nfs/dbraw/zinc/88/67/77/1017886777.db2.gz WGRHRDYKURWGGA-KOLCDFICSA-N -1 0 320.353 -0.090 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCc2ncccc2O)CC1 ZINC001601830406 1017887022 /nfs/dbraw/zinc/88/70/22/1017887022.db2.gz CJZQUDOESDXRFQ-UHFFFAOYSA-N -1 0 315.351 -0.082 20 0 DBADRM O=C([O-])C1CC[NH+](CCCNS(=O)(=O)c2ncc[n-]2)CC1 ZINC001601826010 1017887129 /nfs/dbraw/zinc/88/71/29/1017887129.db2.gz CNUDGXXECMYIQC-UHFFFAOYSA-N -1 0 316.383 -0.125 20 0 DBADRM O=C([O-])[C@@H]1CCS(=O)(=O)N1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001601838345 1017887276 /nfs/dbraw/zinc/88/72/76/1017887276.db2.gz VCLZUUGDXMWEJY-AXFHLTTASA-N -1 0 304.368 -0.662 20 0 DBADRM O=C([O-])C1CCN(C(=O)COC(=O)[C@H](O)c2cccnc2)CC1 ZINC001601823257 1017887326 /nfs/dbraw/zinc/88/73/26/1017887326.db2.gz XAOKKUGKSJZHII-CYBMUJFWSA-N -1 0 322.317 -0.019 20 0 DBADRM O=C([O-])C1CCN(c2nnnn2[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC001601832645 1017887351 /nfs/dbraw/zinc/88/73/51/1017887351.db2.gz HOZYHYVNMOWFCO-NSHDSACASA-N -1 0 320.353 -0.090 20 0 DBADRM O=C([O-])[C@H]1CCN1C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC001601832866 1017887378 /nfs/dbraw/zinc/88/73/78/1017887378.db2.gz AJVRVYSHOKFRAJ-SNVBAGLBSA-N -1 0 316.310 -0.211 20 0 DBADRM O=C([O-])[C@@H]1CCN1C(=O)CCn1nnc2ccccc2c1=O ZINC001601833421 1017887631 /nfs/dbraw/zinc/88/76/31/1017887631.db2.gz GUQNRHCQQUXYJH-NSHDSACASA-N -1 0 302.290 -0.133 20 0 DBADRM O=C([O-])[C@H]1CCN(c2nnnn2[C@H]2CCN(C3CCC3)C2=O)C1 ZINC001601835272 1017887750 /nfs/dbraw/zinc/88/77/50/1017887750.db2.gz WGRHRDYKURWGGA-ONGXEEELSA-N -1 0 320.353 -0.090 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@H]2CCOC23CCOCC3)CCO1 ZINC001601844242 1017888319 /nfs/dbraw/zinc/88/83/19/1017888319.db2.gz ROFJVQDJBLDHRM-MNOVXSKESA-N -1 0 314.338 -0.181 20 0 DBADRM O=C([O-])[C@H]1CCN2C(=O)N(CCN3CCNC3=O)C(=O)[C@@H]2C1 ZINC001601843244 1017888633 /nfs/dbraw/zinc/88/86/33/1017888633.db2.gz RGBRKCDHICSJBC-IUCAKERBSA-N -1 0 310.310 -0.861 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@H]2CCN(CC(F)F)C2)CCO1 ZINC001601843988 1017888724 /nfs/dbraw/zinc/88/87/24/1017888724.db2.gz AQDPUIAZSJEINM-DTWKUNHWSA-N -1 0 307.297 -0.179 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCn1cccc1 ZINC001601853967 1017889450 /nfs/dbraw/zinc/88/94/50/1017889450.db2.gz IPJSWNDHGHFSQR-JTQLQIEISA-N -1 0 300.336 -0.412 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)COC1CCCC1 ZINC001601853858 1017889465 /nfs/dbraw/zinc/88/94/65/1017889465.db2.gz APVFVVNTQBNBOQ-SNVBAGLBSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc2[nH]ccc2n1 ZINC001601853975 1017889894 /nfs/dbraw/zinc/88/98/94/1017889894.db2.gz JGYQPOUJFNWZKJ-LLVKDONJSA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CCCN1CCCC1=O ZINC001601854395 1017890568 /nfs/dbraw/zinc/89/05/68/1017890568.db2.gz FXMGAQKUPBWCLY-JTQLQIEISA-N -1 0 304.368 -0.818 20 0 DBADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)c1cccs1 ZINC001601903133 1017890885 /nfs/dbraw/zinc/89/08/85/1017890885.db2.gz MAISOGCJWAPLQW-BQBZGAKWSA-N -1 0 311.319 -0.022 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)NCCCc1ccccc1 ZINC001601908146 1017890952 /nfs/dbraw/zinc/89/09/52/1017890952.db2.gz ASZFAKSRYFQQBP-LBPRGKRZSA-N -1 0 308.334 -0.313 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CO)C1)C1CC1 ZINC001601891413 1017890984 /nfs/dbraw/zinc/89/09/84/1017890984.db2.gz KKNOKSMSHTYGNQ-PWSUYJOCSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)CCNC(=O)CO)c1cccs1 ZINC001601898332 1017891295 /nfs/dbraw/zinc/89/12/95/1017891295.db2.gz MBQDGVARYDTYTO-MRVPVSSYSA-N -1 0 300.336 -0.121 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccncc1 ZINC001601899365 1017891573 /nfs/dbraw/zinc/89/15/73/1017891573.db2.gz CDBMCAOWNSDUHZ-BDAKNGLRSA-N -1 0 306.278 -0.688 20 0 DBADRM O=C([O-])C[C@H](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC001601906955 1017891715 /nfs/dbraw/zinc/89/17/15/1017891715.db2.gz PTISMHHIQHYFKZ-QWRGUYRKSA-N -1 0 316.379 -0.078 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)[C@H]1CCCN1Cc1ccccn1 ZINC001601909903 1017891886 /nfs/dbraw/zinc/89/18/86/1017891886.db2.gz JSKOOCIMGFMKTH-QWHCGFSZSA-N -1 0 307.350 -0.002 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)c1cccc2c1OCC2 ZINC001601913095 1017891942 /nfs/dbraw/zinc/89/19/42/1017891942.db2.gz VNUGILBZLVTBSG-VIFPVBQESA-N -1 0 301.320 -0.265 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC001601911973 1017892395 /nfs/dbraw/zinc/89/23/95/1017892395.db2.gz OMTVLSWQEDIXJN-ZETCQYMHSA-N -1 0 311.323 -0.578 20 0 DBADRM O=C([O-])C[C@@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)c1cccs1 ZINC001601909049 1017892522 /nfs/dbraw/zinc/89/25/22/1017892522.db2.gz XEOXCMRMEXNZJI-NQMVMOMDSA-N -1 0 321.376 -0.057 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC001601910107 1017892617 /nfs/dbraw/zinc/89/26/17/1017892617.db2.gz YELDOGUKKGPIJI-ABAIWWIYSA-N -1 0 306.318 -0.604 20 0 DBADRM O=C([O-])CC1(CNC(=O)C2=CCS(=O)(=O)C2)CCOCC1 ZINC001601916613 1017893087 /nfs/dbraw/zinc/89/30/87/1017893087.db2.gz OLWOFZPXGARZFK-UHFFFAOYSA-N -1 0 317.363 -0.271 20 0 DBADRM O=C([O-])CC1(CNS(=O)(=O)[C@@H]2CCOC2)CCOCC1 ZINC001601923310 1017893133 /nfs/dbraw/zinc/89/31/33/1017893133.db2.gz YKTQZANNRDLERH-SNVBAGLBSA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CCN3C(=O)N=NC3C2)CC1 ZINC001601921960 1017893238 /nfs/dbraw/zinc/89/32/38/1017893238.db2.gz NPPARTRJZNOVBL-UHFFFAOYSA-N -1 0 316.339 -0.616 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCC(=O)NCC2CC2)CC1 ZINC001601922836 1017893263 /nfs/dbraw/zinc/89/32/63/1017893263.db2.gz ZANJWVNMTAPZQH-UHFFFAOYSA-N -1 0 304.368 -0.313 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)C[C@H]2CCS(=O)(=O)C2)CCCOC1 ZINC001601925070 1017893484 /nfs/dbraw/zinc/89/34/84/1017893484.db2.gz BOFXQVWDMZDKHF-MFKMUULPSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CCSC[C@H]2CO)CC1 ZINC001601921956 1017893523 /nfs/dbraw/zinc/89/35/23/1017893523.db2.gz NPLNYVVULNVOAD-SECBINFHSA-N -1 0 309.409 -0.019 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)CCC(=O)N2CCOCC2)CCOC1 ZINC001601925748 1017893894 /nfs/dbraw/zinc/89/38/94/1017893894.db2.gz UUWTYIUNULSRSE-AWEZNQCLSA-N -1 0 314.338 -0.625 20 0 DBADRM O=C([O-])CC1(NC(=O)CN2CCS(=O)(=O)CC2)CCCC1 ZINC001601926933 1017893667 /nfs/dbraw/zinc/89/36/67/1017893667.db2.gz KUITTZMMZCDCAW-UHFFFAOYSA-N -1 0 318.395 -0.380 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)CN2CCCS2(=O)=O)CCCOC1 ZINC001601926816 1017893823 /nfs/dbraw/zinc/89/38/23/1017893823.db2.gz IHFJMJVFYBIUJQ-LBPRGKRZSA-N -1 0 320.367 -0.838 20 0 DBADRM O=C([O-])CC1(NC(=O)O[C@H]2CCOC2)CCS(=O)(=O)CC1 ZINC001601929740 1017894156 /nfs/dbraw/zinc/89/41/56/1017894156.db2.gz MJRZWPRQHBYSMQ-VIFPVBQESA-N -1 0 321.351 -0.076 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCCC12OCCO2 ZINC001601939613 1017894615 /nfs/dbraw/zinc/89/46/15/1017894615.db2.gz OTXZGXYBQLJDIS-UWVGGRQHSA-N -1 0 312.322 -0.669 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCc2cccnc21 ZINC001601940666 1017894620 /nfs/dbraw/zinc/89/46/20/1017894620.db2.gz STOJRUDZRLYBFS-QWRGUYRKSA-N -1 0 303.318 -0.087 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1nnc(-c2ccco2)o1 ZINC001601939242 1017895459 /nfs/dbraw/zinc/89/54/59/1017895459.db2.gz KTTRLDHDRNFNFQ-SSDOTTSWSA-N -1 0 320.261 -0.255 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C[C@@H](O)CC1(CO)CCCC1 ZINC001601939052 1017895579 /nfs/dbraw/zinc/89/55/79/1017895579.db2.gz HSLOUSIWCMEFIP-RYUDHWBXSA-N -1 0 314.382 -0.435 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cnc2ccccn12 ZINC001601943043 1017895820 /nfs/dbraw/zinc/89/58/20/1017895820.db2.gz WZYNZCWRYMSRPP-VIFPVBQESA-N -1 0 302.290 -0.250 20 0 DBADRM O=C([O-])CC1CC(NC(=O)NCCCN2C(=O)CNC2=O)C1 ZINC001601943538 1017896128 /nfs/dbraw/zinc/89/61/28/1017896128.db2.gz OGZWMJGFKMXSOL-UHFFFAOYSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cccc2n[nH]nc21 ZINC001601942731 1017896303 /nfs/dbraw/zinc/89/63/03/1017896303.db2.gz WJIVQRXLGNDEFP-SECBINFHSA-N -1 0 303.278 -0.627 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)Cn1ncn2nccc2c1=O ZINC001601950288 1017896325 /nfs/dbraw/zinc/89/63/25/1017896325.db2.gz PJSZVILXXMQFRV-VIFPVBQESA-N -1 0 305.294 -0.643 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cnc2c[nH]nc2c1 ZINC001601940934 1017896392 /nfs/dbraw/zinc/89/63/92/1017896392.db2.gz KFXZVGUDARGOQO-SNVBAGLBSA-N -1 0 303.278 -0.627 20 0 DBADRM O=C([O-])CC1CC(NC(=O)NCCS(=O)(=O)NC2CC2)C1 ZINC001601943225 1017896497 /nfs/dbraw/zinc/89/64/97/1017896497.db2.gz CMWSXROXOJWGKP-UHFFFAOYSA-N -1 0 319.383 -0.379 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1[nH]ncc1C(F)(F)F ZINC001601940884 1017896626 /nfs/dbraw/zinc/89/66/26/1017896626.db2.gz KAUYLHKQSKHZEF-ZCFIWIBFSA-N -1 0 320.227 -0.156 20 0 DBADRM O=C([O-])CC1CC(NC(=O)NCCC(=O)N2CCOCC2)C1 ZINC001601943498 1017896720 /nfs/dbraw/zinc/89/67/20/1017896720.db2.gz MHROVHSDOAMUKD-UHFFFAOYSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC001601950846 1017896741 /nfs/dbraw/zinc/89/67/41/1017896741.db2.gz BWEVWAONLLYPDV-GXSJLCMTSA-N -1 0 323.349 -0.668 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C[C@H]2CCCS2(=O)=O)CCO1 ZINC001601958283 1017897054 /nfs/dbraw/zinc/89/70/54/1017897054.db2.gz XZNANPDDAJRGDN-VHSXEESVSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCCC(F)(F)F)CCO1 ZINC001601957770 1017897125 /nfs/dbraw/zinc/89/71/25/1017897125.db2.gz JYNZYFOTOZXHTB-ZETCQYMHSA-N -1 0 312.244 -0.243 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC=CO2)CCO1 ZINC001601959051 1017897147 /nfs/dbraw/zinc/89/71/47/1017897147.db2.gz TVWVTKGBWBORSX-MNOVXSKESA-N -1 0 312.322 -0.503 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)CCO1 ZINC001601957885 1017897184 /nfs/dbraw/zinc/89/71/84/1017897184.db2.gz NMOICPCBQTWROU-SNVBAGLBSA-N -1 0 320.367 -0.886 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](F)C2)CCO1 ZINC001601958236 1017897203 /nfs/dbraw/zinc/89/72/03/1017897203.db2.gz MTIABMBKZNTDTR-VHSXEESVSA-N -1 0 302.302 -0.351 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCc2ccccn2)CCO1 ZINC001601957354 1017897289 /nfs/dbraw/zinc/89/72/89/1017897289.db2.gz CYUCNPJOPYBSSZ-LLVKDONJSA-N -1 0 307.306 -0.600 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CC2(F)F)CCO1 ZINC001601957334 1017897438 /nfs/dbraw/zinc/89/74/38/1017897438.db2.gz CMAIGVRIZHTGIL-RKDXNWHRSA-N -1 0 320.292 -0.150 20 0 DBADRM O=C([O-])CC1CCN(C(=O)C(=O)NCCc2cnccn2)CC1 ZINC001601954684 1017897466 /nfs/dbraw/zinc/89/74/66/1017897466.db2.gz QWRHHWFWNIQXGN-UHFFFAOYSA-N -1 0 320.349 -0.151 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCc3nncn3CC2)CCO1 ZINC001601957720 1017897632 /nfs/dbraw/zinc/89/76/32/1017897632.db2.gz DQOIVSMZIYXCHX-WDEREUQCSA-N -1 0 308.338 -0.067 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCCC(F)(F)F)CCO1 ZINC001601957768 1017897798 /nfs/dbraw/zinc/89/77/98/1017897798.db2.gz JYNZYFOTOZXHTB-SSDOTTSWSA-N -1 0 312.244 -0.243 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001601951768 1017898011 /nfs/dbraw/zinc/89/80/11/1017898011.db2.gz JRXJAVLAPKHKFE-ZYHUDNBSSA-N -1 0 309.366 -0.195 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCCO[C@@H]2CCOC2)CCO1 ZINC001601960336 1017898163 /nfs/dbraw/zinc/89/81/63/1017898163.db2.gz RLAKQXUSYOMKEZ-GHMZBOCLSA-N -1 0 302.327 -0.323 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NC2CN(c3ccncn3)C2)CCO1 ZINC001601960566 1017898196 /nfs/dbraw/zinc/89/81/96/1017898196.db2.gz PFLIPOUUYUWYJJ-NSHDSACASA-N -1 0 321.337 -0.450 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)CCO1 ZINC001601959742 1017898502 /nfs/dbraw/zinc/89/85/02/1017898502.db2.gz XMHXKPORZKNYEV-HLTSFMKQSA-N -1 0 318.276 -0.588 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CCO1 ZINC001601961118 1017898530 /nfs/dbraw/zinc/89/85/30/1017898530.db2.gz VHISHQZCJOTAEJ-JMJZKYOTSA-N -1 0 310.310 -0.710 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)CCO1 ZINC001601959362 1017898665 /nfs/dbraw/zinc/89/86/65/1017898665.db2.gz GUKKUMXTMXZRNM-RHYQMDGZSA-N -1 0 314.338 -0.325 20 0 DBADRM O=C([O-])C[C@@H]1CN(Cc2nc3c(c(=O)[nH]2)COCC3)CCO1 ZINC001601961949 1017898686 /nfs/dbraw/zinc/89/86/86/1017898686.db2.gz RWFJPVFICDITQT-SECBINFHSA-N -1 0 309.322 -0.070 20 0 DBADRM O=C([O-])C[C@@H]1CSCC[N@H+]1C[C@@H](O)C[C@@]1(O)CCOC1 ZINC001601968602 1017898961 /nfs/dbraw/zinc/89/89/61/1017898961.db2.gz AMGXQFZCWNNMIN-MDZLAQPJSA-N -1 0 305.396 -0.219 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001601964927 1017899136 /nfs/dbraw/zinc/89/91/36/1017899136.db2.gz FNAXVCNQLUKABK-SNVBAGLBSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)c1cn(C2CCOCC2)nn1 ZINC001601965780 1017899186 /nfs/dbraw/zinc/89/91/86/1017899186.db2.gz QGUAMNOFGNKTGC-LLVKDONJSA-N -1 0 324.337 -0.055 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1CCCN1CCOCC1 ZINC001601967517 1017899395 /nfs/dbraw/zinc/89/93/95/1017899395.db2.gz FTDQDGWLMBVXSS-GFCCVEGCSA-N -1 0 320.411 -0.718 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1CCOC[C@@H]1CCCO1 ZINC001601968432 1017899479 /nfs/dbraw/zinc/89/94/79/1017899479.db2.gz PPLVONQOYOTDRD-RYUDHWBXSA-N -1 0 321.395 -0.244 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)CC1(O)CCCC1 ZINC001601965300 1017899559 /nfs/dbraw/zinc/89/95/59/1017899559.db2.gz NCEDNQWEQVULTE-SNVBAGLBSA-N -1 0 319.379 -0.218 20 0 DBADRM O=C([O-])C[C@@H]1CN(c2nnnn2C[C@H]2CCCCO2)CCO1 ZINC001601966021 1017899710 /nfs/dbraw/zinc/89/97/10/1017899710.db2.gz MRDKVFOXVAVXQX-GHMZBOCLSA-N -1 0 311.342 -0.078 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)CC1OCCCO1 ZINC001601964389 1017899768 /nfs/dbraw/zinc/89/97/68/1017899768.db2.gz RPSDBBPTIJRETA-SECBINFHSA-N -1 0 321.351 -0.760 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)NCCN1CCSCC1 ZINC001601987414 1017902247 /nfs/dbraw/zinc/90/22/47/1017902247.db2.gz KBPQWKHYCIFSRW-UHFFFAOYSA-N -1 0 317.411 -0.478 20 0 DBADRM O=C([O-])CCCCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001601982116 1017903471 /nfs/dbraw/zinc/90/34/71/1017903471.db2.gz FUDXNONSDQPLQA-VIFPVBQESA-N -1 0 321.351 -0.522 20 0 DBADRM O=C([O-])CCCc1nnc(NC(=O)N(CCO)CCO)s1 ZINC001602002112 1017907489 /nfs/dbraw/zinc/90/74/89/1017907489.db2.gz DYMIAIFEONATPT-UHFFFAOYSA-N -1 0 318.355 -0.236 20 0 DBADRM O=C([O-])CCCc1nc(CN2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)no1 ZINC001602002431 1017907968 /nfs/dbraw/zinc/90/79/68/1017907968.db2.gz VPCZWSQCILNQJM-OCAPTIKFSA-N -1 0 308.294 -0.819 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CCC(N3CN=NC3=O)CC2)C1=O ZINC001602010660 1017909646 /nfs/dbraw/zinc/90/96/46/1017909646.db2.gz YXFSEZSASXEZDR-LLVKDONJSA-N -1 0 323.353 -0.304 20 0 DBADRM O=C([O-])CCN(C(=O)[C@H]1CCOC(=O)N1)C1CCOCC1 ZINC001602005538 1017909868 /nfs/dbraw/zinc/90/98/68/1017909868.db2.gz MRSUUHQLAYWNRJ-SNVBAGLBSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CCC[C@H](N3CCNC3=O)C2)C1=O ZINC001602009532 1017912276 /nfs/dbraw/zinc/91/22/76/1017912276.db2.gz JCJHCHYWAUTXEO-RYUDHWBXSA-N -1 0 324.381 -0.448 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CCN(c3cnccn3)CC2)C1=O ZINC001602015402 1017913388 /nfs/dbraw/zinc/91/33/88/1017913388.db2.gz KWKDHJUPQONORZ-LBPRGKRZSA-N -1 0 319.365 -0.326 20 0 DBADRM O=C([O-])CCN1CC[C@H](n2cc(Cn3ccnc3)nn2)C1=O ZINC001602012919 1017913877 /nfs/dbraw/zinc/91/38/77/1017913877.db2.gz KBYPWEHWIXAERL-NSHDSACASA-N -1 0 304.310 -0.229 20 0 DBADRM O=C([O-])CCN1CCC[C@H](OC(=O)[C@]2(O)CCOC2)C1=O ZINC001602012383 1017914945 /nfs/dbraw/zinc/91/49/45/1017914945.db2.gz PKDSMPSTYRAKFZ-ZANVPECISA-N -1 0 301.295 -0.853 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1=O ZINC001602014245 1017915142 /nfs/dbraw/zinc/91/51/42/1017915142.db2.gz DEACEIAZWQIVDJ-AXFHLTTASA-N -1 0 316.379 -0.962 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@H]1CSCCS1 ZINC001602016308 1017916128 /nfs/dbraw/zinc/91/61/28/1017916128.db2.gz KAYAMCLSYZFYHM-MRVPVSSYSA-N -1 0 306.409 -0.068 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC001602013992 1017916241 /nfs/dbraw/zinc/91/62/41/1017916241.db2.gz LJMKDOWZVKXKLJ-VIFPVBQESA-N -1 0 310.310 -0.551 20 0 DBADRM O=C([O-])CCN1CCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC001602013124 1017916348 /nfs/dbraw/zinc/91/63/48/1017916348.db2.gz PSDXIPDOOWXNAO-UHFFFAOYSA-N -1 0 320.411 -0.165 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](OC(=O)CCn2ccnn2)C1=O ZINC001602014382 1017916531 /nfs/dbraw/zinc/91/65/31/1017916531.db2.gz KMNPLNOGFBRFNY-SNVBAGLBSA-N -1 0 310.310 -0.323 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](OC(=O)[C@H]2COCCO2)C1=O ZINC001602014470 1017916876 /nfs/dbraw/zinc/91/68/76/1017916876.db2.gz YXQPPMUUIUBIEL-NXEZZACHSA-N -1 0 301.295 -0.589 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)[C@H]2CCCS2(=O)=O)C1=O ZINC001602017386 1017917303 /nfs/dbraw/zinc/91/73/03/1017917303.db2.gz XEVLZXXHXOTPCQ-DTWKUNHWSA-N -1 0 319.335 -0.818 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCCCn1ccnc1 ZINC001602019094 1017918291 /nfs/dbraw/zinc/91/82/91/1017918291.db2.gz IDGZUIPFUGTWNS-UHFFFAOYSA-N -1 0 311.342 -0.447 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)Cn1cnc2c1CCCC2 ZINC001602017625 1017919411 /nfs/dbraw/zinc/91/94/11/1017919411.db2.gz CVTUPOBRLZSPIU-UHFFFAOYSA-N -1 0 322.365 -0.141 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCCO[C@@H]1CC1(F)F ZINC001602019498 1017919644 /nfs/dbraw/zinc/91/96/44/1017919644.db2.gz MCQBKLXWCSJABF-MRVPVSSYSA-N -1 0 323.296 -0.309 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cnc(Cl)cn1 ZINC001602018670 1017919887 /nfs/dbraw/zinc/91/98/87/1017919887.db2.gz TUGZRRZVYSOAQY-UHFFFAOYSA-N -1 0 300.702 -0.159 20 0 DBADRM O=C([O-])CCNC(=O)CCNc1cc(N2CCOCC2)ncn1 ZINC001602018986 1017920802 /nfs/dbraw/zinc/92/08/02/1017920802.db2.gz BHSJHCLTUHHXFW-UHFFFAOYSA-N -1 0 323.353 -0.294 20 0 DBADRM O=C([O-])CCNC(=O)Cn1cc(CN2CCSCC2)nn1 ZINC001602022651 1017921984 /nfs/dbraw/zinc/92/19/84/1017921984.db2.gz MILYEUTVQFRAAT-UHFFFAOYSA-N -1 0 313.383 -0.582 20 0 DBADRM O=C([O-])CCNC(=O)CSc1nnnn1Cc1ccco1 ZINC001602022745 1017922435 /nfs/dbraw/zinc/92/24/35/1017922435.db2.gz VOGDTAIFYZLIIY-UHFFFAOYSA-N -1 0 311.323 -0.003 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCCC1(CO)CC1 ZINC001602020230 1017922525 /nfs/dbraw/zinc/92/25/25/1017922525.db2.gz UVCWHNVPBMYHDX-UHFFFAOYSA-N -1 0 301.343 -0.571 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)[C@H]1CNC(=O)c2ccccc21 ZINC001602021528 1017922580 /nfs/dbraw/zinc/92/25/80/1017922580.db2.gz LCLCBIJEOTYKJL-NSHDSACASA-N -1 0 320.301 -0.352 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@@H]1COC2(CCC2)C1 ZINC001602020178 1017922892 /nfs/dbraw/zinc/92/28/92/1017922892.db2.gz SSZCUGNLPRDCPW-JTQLQIEISA-N -1 0 313.354 -0.022 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NC[C@@H]1CCCC[C@H]1O ZINC001602021024 1017923388 /nfs/dbraw/zinc/92/33/88/1017923388.db2.gz ZTIHJFOZLHXGBY-WDEREUQCSA-N -1 0 315.370 -0.182 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CC[C@H](O)[C@H](CO)C2)O1 ZINC001602034136 1017926012 /nfs/dbraw/zinc/92/60/12/1017926012.db2.gz FXQUCQZKNJKLOK-FIQHERPVSA-N -1 0 301.339 -0.400 20 0 DBADRM O=C([O-])CC[C@H]1NC(=O)N(Cc2nnnn2CC2CC2)C1=O ZINC001602038876 1017926221 /nfs/dbraw/zinc/92/62/21/1017926221.db2.gz IZYKRDPSAKHZON-MRVPVSSYSA-N -1 0 308.298 -0.632 20 0 DBADRM O=C([O-])CN(C(=O)c1cnn(C[C@H](O)CO)c1)C1CCCC1 ZINC001602052539 1017926632 /nfs/dbraw/zinc/92/66/32/1017926632.db2.gz IURINJYFSVBXMQ-LBPRGKRZSA-N -1 0 311.338 -0.294 20 0 DBADRM O=C([O-])CCc1ccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)cc1 ZINC001602037692 1017926993 /nfs/dbraw/zinc/92/69/93/1017926993.db2.gz DOEACGOMHRQUFB-RYUDHWBXSA-N -1 0 322.317 -0.794 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)NC[C@H]2CN3CCN2CC3)O1 ZINC001602037903 1017927449 /nfs/dbraw/zinc/92/74/49/1017927449.db2.gz WKQVDGDARRHUSL-RWMBFGLXSA-N -1 0 311.382 -0.485 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3nnnn3CC2)O1 ZINC001602036561 1017927626 /nfs/dbraw/zinc/92/76/26/1017927626.db2.gz CUORMZZDCVWSBR-GARJFASQSA-N -1 0 323.353 -0.093 20 0 DBADRM O=C([O-])CN(C(=O)CNS(=O)(=O)c1cccnc1)C1CC1 ZINC001602050082 1017928033 /nfs/dbraw/zinc/92/80/33/1017928033.db2.gz LHGSCSVTRVYAHY-UHFFFAOYSA-N -1 0 313.335 -0.565 20 0 DBADRM O=C([O-])CCc1csc(NC(=O)N(CCO)CCO)n1 ZINC001602045426 1017928266 /nfs/dbraw/zinc/92/82/66/1017928266.db2.gz ARGTURMRKZQPQT-UHFFFAOYSA-N -1 0 303.340 -0.021 20 0 DBADRM O=C([O-])CC[C@H]1NC(=O)N(CCCO[C@H]2CCOC2)C1=O ZINC001602039264 1017928495 /nfs/dbraw/zinc/92/84/95/1017928495.db2.gz QHNHOVIWEZXLQA-VHSXEESVSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])CCc1ccccc1C(=O)NCCN1CCNC(=O)C1 ZINC001602045216 1017928972 /nfs/dbraw/zinc/92/89/72/1017928972.db2.gz OXYBTTHIRMHWNT-UHFFFAOYSA-N -1 0 319.361 -0.135 20 0 DBADRM O=C([O-])CN(C1CC1)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001602053919 1017931873 /nfs/dbraw/zinc/93/18/73/1017931873.db2.gz SUGRATOUZYQAAK-JTQLQIEISA-N -1 0 302.352 -0.372 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1ccnc(CO)c1 ZINC001602065138 1017934418 /nfs/dbraw/zinc/93/44/18/1017934418.db2.gz DQRWJJZFTUOKSG-LLVKDONJSA-N -1 0 307.306 -0.621 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)C1(O)CCC1 ZINC001602063782 1017934894 /nfs/dbraw/zinc/93/48/94/1017934894.db2.gz BJXILDCPOHTHLE-QMMMGPOBSA-N -1 0 320.292 -0.272 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@H](CO)c1ccc(Cl)cc1 ZINC001602065427 1017935187 /nfs/dbraw/zinc/93/51/87/1017935187.db2.gz CYAKCMQUTAJSFU-SNVBAGLBSA-N -1 0 314.725 -0.267 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1ncnc2[nH]ccc21 ZINC001602065131 1017935225 /nfs/dbraw/zinc/93/52/25/1017935225.db2.gz DOXGVPXMJGGAMW-VIFPVBQESA-N -1 0 317.305 -0.285 20 0 DBADRM O=C([O-])CNC(=O)CN1CCO[C@H](COc2ccccc2)C1 ZINC001602065869 1017935388 /nfs/dbraw/zinc/93/53/88/1017935388.db2.gz HZVQIHHXZYIWCY-ZDUSSCGKSA-N -1 0 308.334 -0.033 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001602064254 1017936279 /nfs/dbraw/zinc/93/62/79/1017936279.db2.gz MZQNXFLMCHQLBP-CABZTGNLSA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1CO ZINC001602064625 1017937171 /nfs/dbraw/zinc/93/71/71/1017937171.db2.gz CDQXDPQDAOVORD-ZDUSSCGKSA-N -1 0 320.345 -0.087 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CCn2ccnc2C1 ZINC001602064545 1017937669 /nfs/dbraw/zinc/93/76/69/1017937669.db2.gz ZJAGBBIIAZADSH-WDEREUQCSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H](CO)c1ccc(Cl)cc1 ZINC001602065426 1017937903 /nfs/dbraw/zinc/93/79/03/1017937903.db2.gz CYAKCMQUTAJSFU-JTQLQIEISA-N -1 0 314.725 -0.267 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1CC(=O)NCc1ccccc1 ZINC001602068238 1017938495 /nfs/dbraw/zinc/93/84/95/1017938495.db2.gz ZPWNKHYTLJHXIK-CYBMUJFWSA-N -1 0 319.361 -0.032 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)N1CCSCC1 ZINC001602066773 1017939018 /nfs/dbraw/zinc/93/90/18/1017939018.db2.gz OUFFNNFLKHCQHI-VIFPVBQESA-N -1 0 301.368 -0.180 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC001602069283 1017939420 /nfs/dbraw/zinc/93/94/20/1017939420.db2.gz WKCUXPYUZSMTNE-UHFFFAOYSA-N -1 0 319.239 -0.040 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)CN1CSCCSC1 ZINC001602069284 1017940168 /nfs/dbraw/zinc/94/01/68/1017940168.db2.gz WNLVMVFSDFJIBI-UHFFFAOYSA-N -1 0 307.397 -1.000 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1S(=O)(=O)CCCCF ZINC001602068967 1017940291 /nfs/dbraw/zinc/94/02/91/1017940291.db2.gz XZLWXLISDYVXIF-SECBINFHSA-N -1 0 310.347 -0.269 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)Cn1cc(C2CC2)nn1 ZINC001602068374 1017940311 /nfs/dbraw/zinc/94/03/11/1017940311.db2.gz ZUCHFSWGLRCROF-NSHDSACASA-N -1 0 321.337 -0.653 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1S(=O)(=O)CCCCF ZINC001602068968 1017941471 /nfs/dbraw/zinc/94/14/71/1017941471.db2.gz XZLWXLISDYVXIF-VIFPVBQESA-N -1 0 310.347 -0.269 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1CC(=O)NCc1ccccc1 ZINC001602068240 1017941997 /nfs/dbraw/zinc/94/19/97/1017941997.db2.gz ZPWNKHYTLJHXIK-ZDUSSCGKSA-N -1 0 319.361 -0.032 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)/C=C/COC1CCOCC1 ZINC001602069302 1017942204 /nfs/dbraw/zinc/94/22/04/1017942204.db2.gz XTVGONIANLSGEM-OWOJBTEDSA-N -1 0 300.311 -0.945 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC001602066014 1017942694 /nfs/dbraw/zinc/94/26/94/1017942694.db2.gz NNBSSTKJCSCJPI-SECBINFHSA-N -1 0 323.280 -0.432 20 0 DBADRM O=C([O-])CNC(=O)CNCc1cnnn1Cc1ccccc1 ZINC001602070695 1017943497 /nfs/dbraw/zinc/94/34/97/1017943497.db2.gz DKGYNKDQHSQVLT-UHFFFAOYSA-N -1 0 303.322 -0.383 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1csc(Br)n1 ZINC001602070055 1017944086 /nfs/dbraw/zinc/94/40/86/1017944086.db2.gz OZSKRQZWUFFKNV-UHFFFAOYSA-N -1 0 322.140 -0.164 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)Cc1ccn(CC(F)(F)F)n1 ZINC001602070782 1017944196 /nfs/dbraw/zinc/94/41/96/1017944196.db2.gz WWCHENPGNBFUMO-UHFFFAOYSA-N -1 0 323.227 -0.268 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC001602069586 1017946131 /nfs/dbraw/zinc/94/61/31/1017946131.db2.gz QAKOZAKFSBLSLN-UHFFFAOYSA-N -1 0 323.280 -0.359 20 0 DBADRM O=C([O-])COCCNC(=O)Cc1nnc(C2CCOCC2)[nH]1 ZINC001602079035 1017948693 /nfs/dbraw/zinc/94/86/93/1017948693.db2.gz YBPXPKFDIADMOL-UHFFFAOYSA-N -1 0 312.326 -0.541 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001602078566 1017948746 /nfs/dbraw/zinc/94/87/46/1017948746.db2.gz BXIPCEANCGJWBF-LBPRGKRZSA-N -1 0 315.370 -0.406 20 0 DBADRM O=C([O-])COCCNC(=O)Cn1nc(-c2ccccc2)oc1=O ZINC001602078978 1017949831 /nfs/dbraw/zinc/94/98/31/1017949831.db2.gz SEEKVZWVGXGKPJ-UHFFFAOYSA-N -1 0 321.289 -0.279 20 0 DBADRM O=C([O-])COCCNC(=O)NCCN1C(=O)CSC1=O ZINC001602080098 1017952833 /nfs/dbraw/zinc/95/28/33/1017952833.db2.gz XRXBYILEPQPANP-UHFFFAOYSA-N -1 0 305.312 -0.918 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c1 ZINC001602089597 1017952890 /nfs/dbraw/zinc/95/28/90/1017952890.db2.gz AONVJGPOOMXPBM-YPMHNXCESA-N -1 0 309.318 -0.035 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)C[C@@H]1CC2(CCC2)CO1 ZINC001602080616 1017953302 /nfs/dbraw/zinc/95/33/02/1017953302.db2.gz LNLVKLVYJHVELC-JTQLQIEISA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)CCOC1CCOCC1 ZINC001602080757 1017954336 /nfs/dbraw/zinc/95/43/36/1017954336.db2.gz SUIXRWNPUCWWAP-UHFFFAOYSA-N -1 0 311.356 -0.797 20 0 DBADRM O=C([O-])COCCNC(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001602079726 1017954610 /nfs/dbraw/zinc/95/46/10/1017954610.db2.gz QCRUASMUDIDURL-PBINXNQUSA-N -1 0 320.367 -0.505 20 0 DBADRM O=C([O-])COCCNC(=O)NC[C@@H](O)COc1ccccc1 ZINC001602079940 1017954667 /nfs/dbraw/zinc/95/46/67/1017954667.db2.gz VTLGTWICHIQVEI-LLVKDONJSA-N -1 0 312.322 -0.173 20 0 DBADRM O=C([O-])Cc1ccc(CNC(=O)C[C@H]2CC(=O)NC2=O)cc1 ZINC001602118480 1017955335 /nfs/dbraw/zinc/95/53/35/1017955335.db2.gz GSQRQGYPAMCTHX-NSHDSACASA-N -1 0 304.302 -0.017 20 0 DBADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC001602107484 1017957292 /nfs/dbraw/zinc/95/72/92/1017957292.db2.gz QZRQQLGSNBNSCU-VHSXEESVSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)NCC(F)(F)CO)cc1 ZINC001602122540 1017958329 /nfs/dbraw/zinc/95/83/29/1017958329.db2.gz SAUWBUQLRYIJTD-UHFFFAOYSA-N -1 0 316.260 -0.004 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001602109740 1017958350 /nfs/dbraw/zinc/95/83/50/1017958350.db2.gz HBTPWBPAHVQUGX-MNOVXSKESA-N -1 0 318.395 -0.524 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]1CO ZINC001602142557 1017958916 /nfs/dbraw/zinc/95/89/16/1017958916.db2.gz BUSBYFREARPAAC-CYBMUJFWSA-N -1 0 320.345 -0.087 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)NCCN2C(=O)CNC2=O)n1 ZINC001602138467 1017959157 /nfs/dbraw/zinc/95/91/57/1017959157.db2.gz JQQXMXNYXIRVNR-UHFFFAOYSA-N -1 0 321.293 -0.618 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)c1 ZINC001602136822 1017959208 /nfs/dbraw/zinc/95/92/08/1017959208.db2.gz YZWIAEVGHYQWKR-NWDGAFQWSA-N -1 0 322.317 -0.794 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)N(CCO)CCCO)c1 ZINC001602141264 1017959392 /nfs/dbraw/zinc/95/93/92/1017959392.db2.gz ASAXUHKBNAKFNB-UHFFFAOYSA-N -1 0 317.363 -0.321 20 0 DBADRM O=C([O-])Cc1sccc1C(=O)N(CCO)CCOCCO ZINC001602158632 1017960432 /nfs/dbraw/zinc/96/04/32/1017960432.db2.gz QXNKZZKXFSYKPN-UHFFFAOYSA-N -1 0 317.363 -0.181 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)N2C[C@@H](CO)[C@H](CO)C2)n1 ZINC001602138204 1017961468 /nfs/dbraw/zinc/96/14/68/1017961468.db2.gz GVMCRPBEWGBADD-UWVGGRQHSA-N -1 0 309.322 -0.227 20 0 DBADRM O=C([O-])Cn1cc(CN2CCOC[C@H]2[C@@H]2CCCC2=O)nn1 ZINC001602162923 1017963107 /nfs/dbraw/zinc/96/31/07/1017963107.db2.gz OOLOORLDEYUHFO-RYUDHWBXSA-N -1 0 308.338 -0.067 20 0 DBADRM O=C([O-])Cn1cc(CN[C@@H]2CS(=O)(=O)c3ccccc32)nn1 ZINC001602162491 1017965516 /nfs/dbraw/zinc/96/55/16/1017965516.db2.gz XJESGZAVVVEZMW-LLVKDONJSA-N -1 0 322.346 -0.019 20 0 DBADRM O=C([O-])Cn1cc(CCCOC(=O)[C@H]2CCNC(=O)C2)nn1 ZINC001602159592 1017966464 /nfs/dbraw/zinc/96/64/64/1017966464.db2.gz QRKUMGLBOSWBMP-VIFPVBQESA-N -1 0 310.310 -0.635 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CCO[C@H]1CCOC1)c2=O ZINC001602166921 1017967436 /nfs/dbraw/zinc/96/74/36/1017967436.db2.gz CRXHHCVPHYHWHR-VIFPVBQESA-N -1 0 308.294 -0.517 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(C[C@H]1CCC3(COC3)O1)c2=O ZINC001602167190 1017967758 /nfs/dbraw/zinc/96/77/58/1017967758.db2.gz HQWLLCBTCQZVGI-SECBINFHSA-N -1 0 320.305 -0.374 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)CN2CCCCC(=O)C2=O)n1 ZINC001602164246 1017968547 /nfs/dbraw/zinc/96/85/47/1017968547.db2.gz KDRKKWOCYUYWKN-UHFFFAOYSA-N -1 0 308.294 -0.512 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)N3)cn1 ZINC001602163685 1017968948 /nfs/dbraw/zinc/96/89/48/1017968948.db2.gz VVIFRABNPVQTJP-AOOOYVTPSA-N -1 0 314.367 -0.517 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC001602169796 1017969211 /nfs/dbraw/zinc/96/92/11/1017969211.db2.gz MJUHIVJEWWESFD-ZJUUUORDSA-N -1 0 316.333 -0.985 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)n1 ZINC001602165968 1017969697 /nfs/dbraw/zinc/96/96/97/1017969697.db2.gz QBZAWHCSPQEQKU-BKWHQTBESA-N -1 0 321.289 -0.373 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001602168993 1017969798 /nfs/dbraw/zinc/96/97/98/1017969798.db2.gz FFUDKGOKMJLSCN-VIFPVBQESA-N -1 0 323.346 -0.772 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC001602169884 1017970706 /nfs/dbraw/zinc/97/07/06/1017970706.db2.gz NHOXURKDIHATNZ-IUCAKERBSA-N -1 0 302.306 -0.392 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)n[nH]1 ZINC001602295379 1017987729 /nfs/dbraw/zinc/98/77/29/1017987729.db2.gz VIWACTQULUHYMA-SCSAIBSYSA-N -1 0 303.218 -0.691 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCC(CO)(CO)C2)C1 ZINC001602192151 1017973053 /nfs/dbraw/zinc/97/30/53/1017973053.db2.gz BHUXCXHCUQRSSR-WDEREUQCSA-N -1 0 301.339 -0.540 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC001602191620 1017973344 /nfs/dbraw/zinc/97/33/44/1017973344.db2.gz QZMBECYLQYMZDD-MXWKQRLJSA-N -1 0 320.349 -0.236 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC001602195215 1017974218 /nfs/dbraw/zinc/97/42/18/1017974218.db2.gz YYXWQMIAUZPOTA-GMTAPVOTSA-N -1 0 310.354 -0.094 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC[C@@H]2CN3CCN2CC3)C1 ZINC001602181078 1017974249 /nfs/dbraw/zinc/97/42/49/1017974249.db2.gz YSLSYKDRANFDEX-UTUOFQBUSA-N -1 0 317.411 -0.841 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CN1C(=O)N[C@@H]([C@H]2CCCOC2)C1=O ZINC001602202309 1017975516 /nfs/dbraw/zinc/97/55/16/1017975516.db2.gz QYSRASACQDXDJQ-VPOLOUISSA-N -1 0 312.322 -0.177 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N(CC2(N3CCOCC3)CC2)C1=O ZINC001602199873 1017976604 /nfs/dbraw/zinc/97/66/04/1017976604.db2.gz KWBAWDNXKIFFMG-GMTAPVOTSA-N -1 0 323.349 -0.508 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@]12CCOC2=O ZINC001602202410 1017977798 /nfs/dbraw/zinc/97/77/98/1017977798.db2.gz ZRGQTLDWMPKTLP-GPCCPHFNSA-N -1 0 312.322 -0.033 20 0 DBADRM O=C([O-])[C@]12C[N@H+](Cc3cc(=O)n4[n-]ccc4n3)C[C@H]1COCC2 ZINC001602207628 1017979882 /nfs/dbraw/zinc/97/98/82/1017979882.db2.gz CWTXKLXKCWMSQX-ZUZCIYMTSA-N -1 0 318.333 -0.054 20 0 DBADRM O=C([O-])[C@H]1CC(F)(F)CN1CC1(O)CCS(=O)(=O)CC1 ZINC001602210120 1017980200 /nfs/dbraw/zinc/98/02/00/1017980200.db2.gz HBGDYTLNGOLBOG-MRVPVSSYSA-N -1 0 313.322 -0.280 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)ccn1 ZINC001602244253 1017981337 /nfs/dbraw/zinc/98/13/37/1017981337.db2.gz YWQLSQWGJJIWHM-RYUDHWBXSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)on1 ZINC001602243991 1017982134 /nfs/dbraw/zinc/98/21/34/1017982134.db2.gz DOOJMMXCRMEVPW-VIFPVBQESA-N -1 0 321.293 -0.066 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001602221516 1017982555 /nfs/dbraw/zinc/98/25/55/1017982555.db2.gz YMCRNIRCUZDSRY-WRWGMCAJSA-N -1 0 319.379 -0.206 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)no1 ZINC001602245145 1017982583 /nfs/dbraw/zinc/98/25/83/1017982583.db2.gz LDYMNPSCFOOSDI-YUMQZZPRSA-N -1 0 314.319 -0.121 20 0 DBADRM O=C([O-])c1c(NC(=O)[C@@H]2CCS(=O)(=O)C2)nc2n1CCC2 ZINC001602232303 1017982910 /nfs/dbraw/zinc/98/29/10/1017982910.db2.gz OUOAKPDZIHUJQE-SSDOTTSWSA-N -1 0 313.335 -0.099 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@@H](CCCO)C2)n[nH]1 ZINC001602289048 1017983863 /nfs/dbraw/zinc/98/38/63/1017983863.db2.gz PMHWORKBQFILLI-MRVPVSSYSA-N -1 0 303.340 -0.109 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCO[C@]3(CCOC3)C2)on1 ZINC001602291398 1017984712 /nfs/dbraw/zinc/98/47/12/1017984712.db2.gz NFPDWZUYRZKWDE-LLVKDONJSA-N -1 0 318.307 -0.447 20 0 DBADRM O=C([O-])c1cc(F)ccc1S(=O)(=O)N(CCO)CCO ZINC001602276670 1017984933 /nfs/dbraw/zinc/98/49/33/1017984933.db2.gz IIYLBXRZIBNIAX-UHFFFAOYSA-N -1 0 307.299 -0.501 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H](CO)CC2)n[nH]1 ZINC001602292252 1017985901 /nfs/dbraw/zinc/98/59/01/1017985901.db2.gz ZFEQBHQSJKGFIH-QMMMGPOBSA-N -1 0 303.340 -0.109 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H](O)C2CCOCC2)n[nH]1 ZINC001602293785 1017986184 /nfs/dbraw/zinc/98/61/84/1017986184.db2.gz JZWFNKWDYZRBRD-SECBINFHSA-N -1 0 319.339 -0.826 20 0 DBADRM O=C([O-])c1cc(NCC2(O)CCS(=O)(=O)CC2)ncn1 ZINC001602284993 1017986595 /nfs/dbraw/zinc/98/65/95/1017986595.db2.gz ABHMBKOXJSSFDB-UHFFFAOYSA-N -1 0 301.324 -0.474 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN(C(=O)CO)CC2)cc1F ZINC001602318746 1017988454 /nfs/dbraw/zinc/98/84/54/1017988454.db2.gz SOWAADPZYMZAAH-UHFFFAOYSA-N -1 0 310.281 -0.199 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CC[C@](O)(C(F)(F)F)C2)n1 ZINC001602313373 1017988481 /nfs/dbraw/zinc/98/84/81/1017988481.db2.gz DNGHCYRTOGMXQC-SNVBAGLBSA-N -1 0 307.228 -0.102 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCOC2CCOCC2)n[nH]1 ZINC001602295880 1017988623 /nfs/dbraw/zinc/98/86/23/1017988623.db2.gz BNNWFXAYKORSJE-UHFFFAOYSA-N -1 0 319.339 -0.418 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H](CO)[C@H](O)c2ccccn2)[nH]1 ZINC001602321037 1017988840 /nfs/dbraw/zinc/98/88/40/1017988840.db2.gz ONTHFVVMHJLFIU-NWDGAFQWSA-N -1 0 305.290 -0.068 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CC3(C2)C[C@H](O)CNC3=O)s1 ZINC001602317086 1017989037 /nfs/dbraw/zinc/98/90/37/1017989037.db2.gz KBQPAPZAPXVDKV-ZETCQYMHSA-N -1 0 310.331 -0.231 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)[nH]1 ZINC001602318757 1017989551 /nfs/dbraw/zinc/98/95/51/1017989551.db2.gz OHTJOHCSKUOEHT-WDEREUQCSA-N -1 0 307.306 -0.168 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CC[C@@H](Nc3ncccn3)C2)n1 ZINC001602313597 1017990052 /nfs/dbraw/zinc/99/00/52/1017990052.db2.gz USXIHLBDOXDQIX-SNVBAGLBSA-N -1 0 316.321 -0.125 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H](CO)CN2CCOCC2)s1 ZINC001602320173 1017990182 /nfs/dbraw/zinc/99/01/82/1017990182.db2.gz ZTLHNDFWYBDZPA-SECBINFHSA-N -1 0 314.363 -0.131 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cn1 ZINC001602334483 1017991020 /nfs/dbraw/zinc/99/10/20/1017991020.db2.gz ZJRRYHVOSAVUMY-PHIMTYICSA-N -1 0 324.358 -0.175 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)N2C[C@H](CO)[C@H](O)C2)s1 ZINC001602342049 1017991451 /nfs/dbraw/zinc/99/14/51/1017991451.db2.gz ZZYWSROZEAKCRD-VXNVDRBHSA-N -1 0 300.336 -0.059 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCc2nnc3n2CCNC3=O)cc1 ZINC001602323741 1017991464 /nfs/dbraw/zinc/99/14/64/1017991464.db2.gz XCRRWKUQEFDVMJ-UHFFFAOYSA-N -1 0 315.289 -0.350 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)nc1 ZINC001602341544 1017991915 /nfs/dbraw/zinc/99/19/15/1017991915.db2.gz FGHIOXSMELFLLU-VIFPVBQESA-N -1 0 317.305 -0.044 20 0 DBADRM O=C([O-])c1ccc2c(=O)[nH]c(CN3C[C@@H](O)C[C@H]3CO)nc2c1 ZINC001602418760 1017992840 /nfs/dbraw/zinc/99/28/40/1017992840.db2.gz SZQQMTKHVPQCIP-UWVGGRQHSA-N -1 0 319.317 -0.039 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC2CC(CO)(CO)C2)s1 ZINC001602397323 1017993413 /nfs/dbraw/zinc/99/34/13/1017993413.db2.gz VNQGVBWASNILLF-UHFFFAOYSA-N -1 0 321.376 -0.142 20 0 DBADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)CN1C(=O)CNC1=O)C2 ZINC001602415741 1017995335 /nfs/dbraw/zinc/99/53/35/1017995335.db2.gz JVYOJNGBTNTXSN-UHFFFAOYSA-N -1 0 317.301 -0.179 20 0 DBADRM O=C([O-])c1cccc2c1OCCN2C(=O)CN1CCOCC1=O ZINC001602461534 1017997821 /nfs/dbraw/zinc/99/78/21/1017997821.db2.gz IWUKZXJGIZZXME-UHFFFAOYSA-N -1 0 320.301 -0.031 20 0 DBADRM O=C([O-])c1ccccc1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001602464720 1017998234 /nfs/dbraw/zinc/99/82/34/1017998234.db2.gz CJJPHKPKOROOFM-SNVBAGLBSA-N -1 0 303.274 -0.239 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CC[C@@](O)(C(F)F)C2)c1=O ZINC001602474855 1017998784 /nfs/dbraw/zinc/99/87/84/1017998784.db2.gz COYQAMQATOSDCA-ZDUSSCGKSA-N -1 0 316.260 -0.225 20 0 DBADRM O=C([O-])c1cccc(CS(=O)(=O)N2CC(CO)(CO)C2)c1 ZINC001602440179 1018000354 /nfs/dbraw/zinc/00/03/54/1018000354.db2.gz VUJFMIWJVKNONH-UHFFFAOYSA-N -1 0 315.347 -0.499 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)c1 ZINC001602451380 1018000795 /nfs/dbraw/zinc/00/07/95/1018000795.db2.gz LNIDIMKCAVAKIP-QWRGUYRKSA-N -1 0 315.347 -0.394 20 0 DBADRM O=C([O-])c1ccnc(NC[C@@]23COCCN2C(=O)COC3)n1 ZINC001602483511 1018001312 /nfs/dbraw/zinc/00/13/12/1018001312.db2.gz MLIZGYQBDIYNBJ-ZDUSSCGKSA-N -1 0 308.294 -0.786 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCc3nc[nH]c(=O)c3C2)n1 ZINC001602477461 1018001488 /nfs/dbraw/zinc/00/14/88/1018001488.db2.gz VVCQZHLNQULUAK-UHFFFAOYSA-N -1 0 303.278 -0.338 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)CN3CCCNC3=O)C2)nn1 ZINC001602492440 1018002082 /nfs/dbraw/zinc/00/20/82/1018002082.db2.gz AAZSWYAHNSVPIK-VIFPVBQESA-N -1 0 322.325 -0.835 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)CNC(=O)C3CC3)C2)nn1 ZINC001602492502 1018002193 /nfs/dbraw/zinc/00/21/93/1018002193.db2.gz CIVMRBVCEUBZOU-VIFPVBQESA-N -1 0 307.310 -0.724 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N2CC[C@@](F)(CO)C2)c1 ZINC001602484507 1018002461 /nfs/dbraw/zinc/00/24/61/1018002461.db2.gz BHUWWMUTHTYXTQ-NSHDSACASA-N -1 0 304.299 -0.125 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NCCOCCCO)c1 ZINC001602486306 1018002679 /nfs/dbraw/zinc/00/26/79/1018002679.db2.gz HABLVZJBEGXNHT-UHFFFAOYSA-N -1 0 304.324 -0.543 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)NCC(=O)N1CCCC1 ZINC001602488711 1018003292 /nfs/dbraw/zinc/00/32/92/1018003292.db2.gz KVZMAPRAZXHGLO-UHFFFAOYSA-N -1 0 302.308 -0.122 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)CCc3nnc[nH]3)CC2)nn1 ZINC001602492590 1018003665 /nfs/dbraw/zinc/00/36/65/1018003665.db2.gz GTJYERBVFDISBZ-UHFFFAOYSA-N -1 0 319.325 -0.109 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001602487991 1018003924 /nfs/dbraw/zinc/00/39/24/1018003924.db2.gz PTMBDBNPAVEKAH-BDAKNGLRSA-N -1 0 319.335 -0.411 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3cc4n(n3)CCO4)C2)nn1 ZINC001602501020 1018004523 /nfs/dbraw/zinc/00/45/23/1018004523.db2.gz JXVAWDWEPLJFOG-UHFFFAOYSA-N -1 0 304.266 -0.738 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)[C@H]3COCCO3)CC2)nn1 ZINC001602493472 1018006839 /nfs/dbraw/zinc/00/68/39/1018006839.db2.gz TYQGNFIFIKUWMN-LLVKDONJSA-N -1 0 310.310 -0.445 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@@H]2CCn3ccnc3C2)nn1 ZINC001602503782 1018007160 /nfs/dbraw/zinc/00/71/60/1018007160.db2.gz VHZDJQJKUUUJCB-SECBINFHSA-N -1 0 304.310 -0.448 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)nn1 ZINC001602503804 1018007533 /nfs/dbraw/zinc/00/75/33/1018007533.db2.gz VXFZYEKVCDLBIM-JMJZKYOTSA-N -1 0 309.326 -0.469 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)/C=C/CN3CCOCC3)C2)nn1 ZINC001602502341 1018007929 /nfs/dbraw/zinc/00/79/29/1018007929.db2.gz YHFAYKSRBLZBNE-OWOJBTEDSA-N -1 0 321.337 -0.752 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C2(C(=O)NC3CC3)CCC2)nn1 ZINC001602504012 1018008320 /nfs/dbraw/zinc/00/83/20/1018008320.db2.gz FMWVZAXSCQGSPC-UHFFFAOYSA-N -1 0 321.337 -0.459 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@@H](N3CCCC3=O)C2)nn1 ZINC001602503312 1018008409 /nfs/dbraw/zinc/00/84/09/1018008409.db2.gz ZKXISVLSFDJHIC-SECBINFHSA-N -1 0 307.310 -0.800 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@H]2CCc3c[nH]nc3C2)nn1 ZINC001602503905 1018008667 /nfs/dbraw/zinc/00/86/67/1018008667.db2.gz ZISMYOIWBJRFOO-QMMMGPOBSA-N -1 0 304.310 -0.379 20 0 DBADRM O=C([O-])c1cn([C@@H]2COC[C@H]2OC(=O)[C@@H]2C[C@]23CCOC3)nn1 ZINC001602506025 1018009318 /nfs/dbraw/zinc/00/93/18/1018009318.db2.gz BRBTWGZRCPZRSX-AGSIJNCFSA-N -1 0 323.305 -0.114 20 0 DBADRM O=C([O-])c1cn([C@@H]2COC[C@H]2OC(=O)[C@@H]2[C@H]3CCCO[C@H]32)nn1 ZINC001602506394 1018009654 /nfs/dbraw/zinc/00/96/54/1018009654.db2.gz TVKROQLKVQHQPU-YNVCDSSISA-N -1 0 323.305 -0.116 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@H](CO)[C@H]1CCCOC1 ZINC001602507723 1018009749 /nfs/dbraw/zinc/00/97/49/1018009749.db2.gz KJVSLSNYYJGPID-IONNQARKSA-N -1 0 319.339 -0.826 20 0 DBADRM O=C([O-])c1cn(CN2CCS(=O)(=O)C[C@@H]2C2CCC2)nn1 ZINC001602505064 1018010237 /nfs/dbraw/zinc/01/02/37/1018010237.db2.gz GJFAQOJKOYYXNP-LLVKDONJSA-N -1 0 314.367 -0.167 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cn1 ZINC001602508793 1018010632 /nfs/dbraw/zinc/01/06/32/1018010632.db2.gz OKQLLKRRNBTMQT-UWVGGRQHSA-N -1 0 306.322 -0.544 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CC[C@@H](n2cncn2)C1 ZINC001602507464 1018010858 /nfs/dbraw/zinc/01/08/58/1018010858.db2.gz BQIFRSCOLQJEGP-SSDOTTSWSA-N -1 0 312.311 -0.665 20 0 DBADRM O=C([O-])c1cnc(CN2CCC(O)(COCCO)CC2)cn1 ZINC001602518160 1018011551 /nfs/dbraw/zinc/01/15/51/1018011551.db2.gz BYFNTXBHBNYTID-UHFFFAOYSA-N -1 0 311.338 -0.489 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCN(c3ncc[nH]3)CC2)cn1 ZINC001602507780 1018011639 /nfs/dbraw/zinc/01/16/39/1018011639.db2.gz XWAJIQVSBMWTCG-UHFFFAOYSA-N -1 0 302.294 -0.140 20 0 DBADRM Cc1c(C(=O)NCC2(NCc3nc(=O)n(C)[nH]3)CC2)cnn1C ZINC001499161993 1018012376 /nfs/dbraw/zinc/01/23/76/1018012376.db2.gz ZLKASXDFEVEIGH-UHFFFAOYSA-N -1 0 319.369 -0.797 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)c3ncccn3)CC2)nc1 ZINC001602527589 1018012742 /nfs/dbraw/zinc/01/27/42/1018012742.db2.gz WPKGNKPIIDBUKH-UHFFFAOYSA-N -1 0 314.305 -0.073 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)Cc3nnc[nH]3)CC2)nc1 ZINC001602527381 1018013256 /nfs/dbraw/zinc/01/32/56/1018013256.db2.gz RETWDYHILKUOOP-UHFFFAOYSA-N -1 0 317.309 -0.816 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)c2nccs2)nc1 ZINC001602529422 1018014087 /nfs/dbraw/zinc/01/40/87/1018014087.db2.gz KWRUFGSOEVIKJW-MRVPVSSYSA-N -1 0 323.334 -0.166 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)c2ccncc2)nc1 ZINC001602529494 1018014315 /nfs/dbraw/zinc/01/43/15/1018014315.db2.gz HWLKSCCQADMJKG-LLVKDONJSA-N -1 0 317.305 -0.227 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CNC(=O)c2cn[nH]n2)C2CC2)nc1 ZINC001602531263 1018014571 /nfs/dbraw/zinc/01/45/71/1018014571.db2.gz XJUAKXPIPJTQBW-SECBINFHSA-N -1 0 317.309 -0.087 20 0 DBADRM O=C([O-])c1cncc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)c1 ZINC001602533766 1018015334 /nfs/dbraw/zinc/01/53/34/1018015334.db2.gz JJTXBLXNSZBMDC-VXGBXAGGSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1coc(C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)c1 ZINC001602549185 1018015719 /nfs/dbraw/zinc/01/57/19/1018015719.db2.gz JVYNFCSPBQEMMW-VIFPVBQESA-N -1 0 317.319 -0.401 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CC[C@H](N3CCOC3=O)C2)c1 ZINC001602544863 1018015865 /nfs/dbraw/zinc/01/58/65/1018015865.db2.gz ZOVCOXYYHKQOIJ-JTQLQIEISA-N -1 0 308.294 -0.366 20 0 DBADRM O=C([O-])c1cncc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)c1 ZINC001602533765 1018016080 /nfs/dbraw/zinc/01/60/80/1018016080.db2.gz JJTXBLXNSZBMDC-RYUDHWBXSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCO[C@]3(CCCOC3)C2)c1 ZINC001602545039 1018016253 /nfs/dbraw/zinc/01/62/53/1018016253.db2.gz LUFZLRJLGJCETQ-CQSZACIVSA-N -1 0 309.322 -0.011 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)n1 ZINC001602573564 1018017647 /nfs/dbraw/zinc/01/76/47/1018017647.db2.gz QCEDHJBZZVNMTQ-QMMMGPOBSA-N -1 0 317.309 -0.711 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)[C@@H]2CCCNC2=O)n1 ZINC001602573141 1018018589 /nfs/dbraw/zinc/01/85/89/1018018589.db2.gz IVKMTYPGMYDILP-SECBINFHSA-N -1 0 321.337 -0.959 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)c1 ZINC001602555735 1018018997 /nfs/dbraw/zinc/01/89/97/1018018997.db2.gz MBLZIDZPTGABTI-UHFFFAOYSA-N -1 0 300.292 -0.069 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 ZINC001602572654 1018019130 /nfs/dbraw/zinc/01/91/30/1018019130.db2.gz VYVJFGRXXZLWMZ-RKDXNWHRSA-N -1 0 319.321 -0.994 20 0 DBADRM O=C([O-])c1nc(NC2(CNC(=O)c3nnc[n-]3)CCC2)cc[nH+]1 ZINC001602573429 1018019323 /nfs/dbraw/zinc/01/93/23/1018019323.db2.gz BFOXAQNTHXJREG-UHFFFAOYSA-N -1 0 317.309 -0.521 20 0 DBADRM O=C([O-])c1nc(C(=O)N2C[C@H](CO)[C@@H](CCO)C2)cs1 ZINC001602567408 1018019419 /nfs/dbraw/zinc/01/94/19/1018019419.db2.gz IPPBOJBIYOEPMR-JGVFFNPUSA-N -1 0 300.336 -0.096 20 0 DBADRM O=C([O-])c1nccc(NCCS(=O)(=O)CC(F)(F)F)n1 ZINC001602573502 1018019540 /nfs/dbraw/zinc/01/95/40/1018019540.db2.gz NMBRXDPJHPHNDR-UHFFFAOYSA-N -1 0 313.257 -0.014 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)c2ccc[nH]2)n1 ZINC001602574835 1018020112 /nfs/dbraw/zinc/02/01/12/1018020112.db2.gz ODIDFWDQFQXTLA-QMMMGPOBSA-N -1 0 305.294 -0.872 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)c2cccs2)n1 ZINC001602574336 1018020319 /nfs/dbraw/zinc/02/03/19/1018020319.db2.gz LVFHXTKTZGXCBD-MRVPVSSYSA-N -1 0 322.346 -0.139 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@H](NC(=O)c3cnns3)C2)n1 ZINC001602577667 1018020892 /nfs/dbraw/zinc/02/08/92/1018020892.db2.gz PZMZMEPIAOLIRT-LJGSYFOKSA-N -1 0 320.334 -0.179 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)c3ncccn3)C2)n1 ZINC001602574780 1018021526 /nfs/dbraw/zinc/02/15/26/1018021526.db2.gz MDJBHCWKNNVJCX-SECBINFHSA-N -1 0 314.305 -0.287 20 0 DBADRM O=C([O-])c1ncn(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC001602579987 1018022614 /nfs/dbraw/zinc/02/26/14/1018022614.db2.gz AKFUWEIZOKVMTI-SECBINFHSA-N -1 0 300.340 -0.415 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1CCN(CCO)CC1 ZINC001602586481 1018023248 /nfs/dbraw/zinc/02/32/48/1018023248.db2.gz CGMGGGGZUGGIIV-UHFFFAOYSA-N -1 0 321.380 -0.860 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NC[C@]1(O)CCOC1 ZINC001602588689 1018023442 /nfs/dbraw/zinc/02/34/42/1018023442.db2.gz HOTLOOIPONSRCR-SECBINFHSA-N -1 0 308.337 -0.729 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1CC[C@@H](O)[C@@H](F)C1 ZINC001602587264 1018023472 /nfs/dbraw/zinc/02/34/72/1018023472.db2.gz JFLAYIDJXFZURA-NTSWFWBYSA-N -1 0 310.328 -0.065 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001602587390 1018023725 /nfs/dbraw/zinc/02/37/25/1018023725.db2.gz PGFCKYGLELKEGJ-KNVOCYPGSA-N -1 0 320.348 -0.370 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CCS(=O)(=O)CC1 ZINC001602585695 1018024113 /nfs/dbraw/zinc/02/41/13/1018024113.db2.gz WVRRSLPKTUPZME-UHFFFAOYSA-N -1 0 318.307 -0.854 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001602624842 1018024509 /nfs/dbraw/zinc/02/45/09/1018024509.db2.gz MTQVVVJZLUHICH-CQSZACIVSA-N -1 0 302.290 -0.071 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccnc(O[C@H]3CCOC3)c2)C1 ZINC001602626476 1018024740 /nfs/dbraw/zinc/02/47/40/1018024740.db2.gz HIGZNBZZEPIBNG-JTQLQIEISA-N -1 0 308.290 -0.479 20 0 DBADRM O=C([O-])c1nc(C(=O)OCCN2CCOCC2=O)cs1 ZINC001602614198 1018024979 /nfs/dbraw/zinc/02/49/79/1018024979.db2.gz SKKYUBGDUHPVOC-UHFFFAOYSA-N -1 0 300.292 -0.143 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)c3cncc(O)c3)CC2)CCOC1 ZINC001602629347 1018025474 /nfs/dbraw/zinc/02/54/74/1018025474.db2.gz DQVVXDUMEAWGMZ-HNNXBMFYSA-N -1 0 321.333 -0.211 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001602626746 1018025973 /nfs/dbraw/zinc/02/59/73/1018025973.db2.gz NJGSDYFUXZJKCT-CQSZACIVSA-N -1 0 302.290 -0.071 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)c3cccnn3)CC2)CCOC1 ZINC001602628712 1018026290 /nfs/dbraw/zinc/02/62/90/1018026290.db2.gz NTYFKSNMDQKINO-CQSZACIVSA-N -1 0 306.322 -0.522 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cccc3nc[nH]c(=O)c32)C1 ZINC001602628618 1018026437 /nfs/dbraw/zinc/02/64/37/1018026437.db2.gz YWKWDJDIGAFGHR-AWEZNQCLSA-N -1 0 303.274 -0.003 20 0 DBADRM O=C(C[C@@H]1CC(=O)NC1=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001602633927 1018026824 /nfs/dbraw/zinc/02/68/24/1018026824.db2.gz QVYSZGXLZDBORJ-ZCFIWIBFSA-N -1 0 306.278 -0.481 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NCC[C@H]1CNC(=O)C1 ZINC001602634071 1018026943 /nfs/dbraw/zinc/02/69/43/1018026943.db2.gz UMMJWKZCLRZNMV-ZCFIWIBFSA-N -1 0 319.364 -0.354 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001602634272 1018026994 /nfs/dbraw/zinc/02/69/94/1018026994.db2.gz BGWUMBFLSNNZSC-CQSZACIVSA-N -1 0 323.305 -0.372 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@@]2(c3ccccc3)CNC(=O)C2)C1 ZINC001602631968 1018027127 /nfs/dbraw/zinc/02/71/27/1018027127.db2.gz JJERWDAXJLGQSB-CVEARBPZSA-N -1 0 318.329 -0.508 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC(=O)N2)C[C@H]1c1ccc(O)cc1 ZINC001602633095 1018027404 /nfs/dbraw/zinc/02/74/04/1018027404.db2.gz UTOFIMGOILLRBB-TUAOUCFPSA-N -1 0 304.302 -0.093 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@@H]1CNC(=O)C1 ZINC001602636432 1018027507 /nfs/dbraw/zinc/02/75/07/1018027507.db2.gz DYJKXHUBABTWNE-AEJSXWLSSA-N -1 0 304.368 -0.315 20 0 DBADRM O=C([O-])c1cnc(NCCNC(=O)[C@@H]2CCNC(=O)C2)nc1 ZINC001602632162 1018027728 /nfs/dbraw/zinc/02/77/28/1018027728.db2.gz QXTBRPARBPXEFF-MRVPVSSYSA-N -1 0 307.310 -0.771 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1nc3n(n1)CCCN3)C2 ZINC001602629521 1018027894 /nfs/dbraw/zinc/02/78/94/1018027894.db2.gz OPGQYUPTWWMRFL-XPTSAGLGSA-N -1 0 305.338 -0.322 20 0 DBADRM O=C(C[C@H]1CC(=O)NC1=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001602633926 1018028260 /nfs/dbraw/zinc/02/82/60/1018028260.db2.gz QVYSZGXLZDBORJ-LURJTMIESA-N -1 0 306.278 -0.481 20 0 DBADRM O=C([O-])c1cnc(NCCNC(=O)[C@H]2CCNC(=O)C2)nc1 ZINC001602632163 1018028363 /nfs/dbraw/zinc/02/83/63/1018028363.db2.gz QXTBRPARBPXEFF-QMMMGPOBSA-N -1 0 307.310 -0.771 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N[C@H]2CNC(=O)C2)CCCCC1 ZINC001602635814 1018028373 /nfs/dbraw/zinc/02/83/73/1018028373.db2.gz LYNDBLOEDIWGDU-SECBINFHSA-N -1 0 304.368 -0.171 20 0 DBADRM O=C([O-])[C@H]1CCCCN1Cc1cn(C[C@H]2CNC(=O)C2)nn1 ZINC001602636097 1018028436 /nfs/dbraw/zinc/02/84/36/1018028436.db2.gz DGAPEMKAAGOWIK-ZYHUDNBSSA-N -1 0 307.354 -0.147 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@]2(c3ccccc3)CCC(=O)NC2)C1 ZINC001602643229 1018029377 /nfs/dbraw/zinc/02/93/77/1018029377.db2.gz RTTFQMAFVBGMCU-OAHLLOKOSA-N -1 0 318.329 -0.508 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001602644375 1018029422 /nfs/dbraw/zinc/02/94/22/1018029422.db2.gz VNAPYDUAMAEHHA-BDAKNGLRSA-N -1 0 300.311 -0.622 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC3(C2)CC(=O)Nc2nccn23)O1 ZINC001602640339 1018029946 /nfs/dbraw/zinc/02/99/46/1018029946.db2.gz WTNNLIZLIQVOST-BDAKNGLRSA-N -1 0 320.305 -0.605 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC001602639142 1018029961 /nfs/dbraw/zinc/02/99/61/1018029961.db2.gz YMQYTRJBAXJSML-XHDPSFHLSA-N -1 0 306.318 -0.604 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)[C@H]3CCC(=O)NC3)C2)nn1 ZINC001602642773 1018029978 /nfs/dbraw/zinc/02/99/78/1018029978.db2.gz NPHFRGNNUSZMCE-UWVGGRQHSA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)[C@@H]2CCNC(=O)CC2)n1 ZINC001602638755 1018030081 /nfs/dbraw/zinc/03/00/81/1018030081.db2.gz VBWDRBFIGFDLDJ-VIFPVBQESA-N -1 0 321.337 -0.959 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)[C@@]23CCC(=O)N2CCS3)CC1 ZINC001602642267 1018030153 /nfs/dbraw/zinc/03/01/53/1018030153.db2.gz VNTWBLGCFDHAHL-ZDUSSCGKSA-N -1 0 314.363 -0.510 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CC[C@@]3(CNC(=O)C3)C2)CCC1 ZINC001602640090 1018030540 /nfs/dbraw/zinc/03/05/40/1018030540.db2.gz SZFUYQXGPYRZTA-LLVKDONJSA-N -1 0 302.352 -0.465 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001602642299 1018030555 /nfs/dbraw/zinc/03/05/55/1018030555.db2.gz CJSJUDCSGPZMTH-GWOFURMSSA-N -1 0 323.349 -0.907 20 0 DBADRM O=C([O-])C1([C@@]2(O)CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)CCC1 ZINC001602641826 1018030604 /nfs/dbraw/zinc/03/06/04/1018030604.db2.gz GOMWSYKFNMHMIG-ZUZCIYMTSA-N -1 0 310.350 -0.127 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@H]1CCNC(=O)CC1 ZINC001602640807 1018030616 /nfs/dbraw/zinc/03/06/16/1018030616.db2.gz VQTSRVKMGVLOMQ-ZJUUUORDSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)nn1 ZINC001602640759 1018030725 /nfs/dbraw/zinc/03/07/25/1018030725.db2.gz UMZASDUXSQSUBO-VIFPVBQESA-N -1 0 321.337 -0.192 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001602649585 1018031392 /nfs/dbraw/zinc/03/13/92/1018031392.db2.gz UPRWIEKZTACUGH-GWOFURMSSA-N -1 0 323.349 -0.765 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC(=O)NCC23COC3)C1 ZINC001602644988 1018031521 /nfs/dbraw/zinc/03/15/21/1018031521.db2.gz SSPRVXARQLRZNQ-GHMZBOCLSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001602648141 1018031866 /nfs/dbraw/zinc/03/18/66/1018031866.db2.gz ZNACPTNCOSWHNO-SNVBAGLBSA-N -1 0 314.319 -0.705 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001602649586 1018031915 /nfs/dbraw/zinc/03/19/15/1018031915.db2.gz UPRWIEKZTACUGH-NAKRPEOUSA-N -1 0 323.349 -0.765 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CSCC(=O)N1)[C@H]1CCOC1 ZINC001602654107 1018033421 /nfs/dbraw/zinc/03/34/21/1018033421.db2.gz TYSGPTJVPQCQSW-YIZRAAEISA-N -1 0 302.352 -0.929 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001602648140 1018032897 /nfs/dbraw/zinc/03/28/97/1018032897.db2.gz ZNACPTNCOSWHNO-JTQLQIEISA-N -1 0 314.319 -0.705 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)CN3CCOCC3=O)C[C@H]1CCCC2 ZINC001602651406 1018033377 /nfs/dbraw/zinc/03/33/77/1018033377.db2.gz FVNFFCOOLZTPGN-IAQYHMDHSA-N -1 0 310.350 -0.051 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001602653342 1018033535 /nfs/dbraw/zinc/03/35/35/1018033535.db2.gz POOLXJLFSQKTCD-HTQZYQBOSA-N -1 0 305.290 -0.516 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001602653346 1018033706 /nfs/dbraw/zinc/03/37/06/1018033706.db2.gz POOLXJLFSQKTCD-YUMQZZPRSA-N -1 0 305.290 -0.516 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)N[C@@H]3COC(=O)C3)C2)nn1 ZINC001602653505 1018033779 /nfs/dbraw/zinc/03/37/79/1018033779.db2.gz SHESMFHDGFWAQZ-DTWKUNHWSA-N -1 0 323.309 -0.362 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CSCC(=O)N1)[C@@H]1CCOC1 ZINC001602654106 1018034340 /nfs/dbraw/zinc/03/43/40/1018034340.db2.gz TYSGPTJVPQCQSW-VGMNWLOBSA-N -1 0 302.352 -0.929 20 0 DBADRM O=C([O-])c1ccc(NC[C@@H]2CCC[C@]23NC(=O)NC3=O)nn1 ZINC001602654777 1018034366 /nfs/dbraw/zinc/03/43/66/1018034366.db2.gz DRIKJEPCIHSOGT-CPFSXVBKSA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001602652751 1018034524 /nfs/dbraw/zinc/03/45/24/1018034524.db2.gz BKNRKWYXTMWERW-BQBZGAKWSA-N -1 0 321.293 -0.870 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCCNC(=O)C2)CCCC1 ZINC001602650885 1018034662 /nfs/dbraw/zinc/03/46/62/1018034662.db2.gz OTPZEGSZVSREMV-UHFFFAOYSA-N -1 0 304.368 -0.217 20 0 DBADRM O=C([O-])C1(NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1 ZINC001602652149 1018034845 /nfs/dbraw/zinc/03/48/45/1018034845.db2.gz VHTNJCMFTHQAPQ-UHFFFAOYSA-N -1 0 303.274 -0.285 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccc(F)cc1 ZINC001602653756 1018034864 /nfs/dbraw/zinc/03/48/64/1018034864.db2.gz VOLLWEYOQZEKCD-UWVGGRQHSA-N -1 0 323.280 -0.292 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)c1cccc(O)c1 ZINC001602654023 1018035145 /nfs/dbraw/zinc/03/51/45/1018035145.db2.gz ZTYPAGJQQBWYSZ-WPRPVWTQSA-N -1 0 307.262 -0.768 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)Cc1ccncc1 ZINC001602653143 1018035212 /nfs/dbraw/zinc/03/52/12/1018035212.db2.gz LXQFUIGQMBSYCA-ZJUUUORDSA-N -1 0 320.305 -0.961 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001602656594 1018035484 /nfs/dbraw/zinc/03/54/84/1018035484.db2.gz VNSNKYYAGGSNKN-NGJRWZKOSA-N -1 0 324.255 -0.510 20 0 DBADRM O=C([O-])c1cnc(NC[C@H]2CCC[C@@]23NC(=O)NC3=O)cn1 ZINC001602655981 1018035848 /nfs/dbraw/zinc/03/58/48/1018035848.db2.gz YRPLGVHFQJQXHW-FUXBKTLASA-N -1 0 305.294 -0.035 20 0 DBADRM Cc1cc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)c(C)nn1 ZINC001499237648 1018035685 /nfs/dbraw/zinc/03/56/85/1018035685.db2.gz GPJKRGXYOWWHRW-UHFFFAOYSA-N -1 0 317.353 -0.031 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001602656599 1018036054 /nfs/dbraw/zinc/03/60/54/1018036054.db2.gz VNSNKYYAGGSNKN-XUTVFYLZSA-N -1 0 324.255 -0.510 20 0 DBADRM O=C([O-])c1cc(F)cc(C(=O)N2CC3(C2)NC(=O)NC3=O)c1 ZINC001602655302 1018036273 /nfs/dbraw/zinc/03/62/73/1018036273.db2.gz CHPBIIYVRBPRIS-UHFFFAOYSA-N -1 0 307.237 -0.442 20 0 DBADRM O=C([O-])c1cnc(NC2(CNC(=O)[C@@H]3COC(=O)N3)CC2)nc1 ZINC001602655975 1018036368 /nfs/dbraw/zinc/03/63/68/1018036368.db2.gz JKWDNOXUUSSVHP-QMMMGPOBSA-N -1 0 321.293 -0.656 20 0 DBADRM O=C([O-])c1nccnc1NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC001602655515 1018036464 /nfs/dbraw/zinc/03/64/64/1018036464.db2.gz SGIFUXGYEPUYNS-UHLUBPPHSA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)[nH]1 ZINC001602654781 1018037077 /nfs/dbraw/zinc/03/70/77/1018037077.db2.gz DROKKWMCWAJTOM-JKYUHCHBSA-N -1 0 320.305 -0.179 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)nc1 ZINC001602655739 1018037137 /nfs/dbraw/zinc/03/71/37/1018037137.db2.gz URTXQHAQWZIANA-AWEZNQCLSA-N -1 0 318.289 -0.406 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H]2CCC[C@]23NC(=O)NC3=O)cn1 ZINC001602655979 1018037371 /nfs/dbraw/zinc/03/73/71/1018037371.db2.gz YRPLGVHFQJQXHW-CPFSXVBKSA-N -1 0 305.294 -0.035 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001499235242 1018037555 /nfs/dbraw/zinc/03/75/55/1018037555.db2.gz CYJCZWRPLBGLDW-BWZBUEFSSA-N -1 0 309.326 -0.437 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC001602661786 1018037816 /nfs/dbraw/zinc/03/78/16/1018037816.db2.gz VFYVIJPUEZBQLB-USWWRNFRSA-N -1 0 305.286 -0.186 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@@H]1COC(=O)N1)Oc1ccc(F)cc1 ZINC001602659572 1018038057 /nfs/dbraw/zinc/03/80/57/1018038057.db2.gz SOFZSUCDOLMORS-UWVGGRQHSA-N -1 0 312.253 -0.118 20 0 DBADRM O=C([O-])c1coc(/C=C/C(=O)N2CC3(C2)NC(=O)NC3=O)c1 ZINC001602656998 1018038672 /nfs/dbraw/zinc/03/86/72/1018038672.db2.gz YZPTYFAPNHFIMZ-OWOJBTEDSA-N -1 0 305.246 -0.589 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC3(C2)CCNC(=O)O3)c[nH]1 ZINC001602658988 1018038738 /nfs/dbraw/zinc/03/87/38/1018038738.db2.gz MWYNYQQXCDYZFX-UHFFFAOYSA-N -1 0 315.307 -0.414 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@@H]1C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001602660237 1018038757 /nfs/dbraw/zinc/03/87/57/1018038757.db2.gz XYQPKAPTBYUMQM-UTUOFQBUSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])C1(C2(O)CCN(C(=O)[C@@H]3COC(=O)N3)CC2)CCC1 ZINC001602659916 1018039172 /nfs/dbraw/zinc/03/91/72/1018039172.db2.gz XRJCEDSHWVOFHJ-VIFPVBQESA-N -1 0 312.322 -0.297 20 0 DBADRM O=Cc1cccc(OCCC(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001602668339 1018040492 /nfs/dbraw/zinc/04/04/92/1018040492.db2.gz RYBORBLEVAXTJG-UHFFFAOYSA-N -1 0 308.290 -0.415 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCc2nncn2C1)[C@@H](C)C(=O)[O-] ZINC001602752808 1018058139 /nfs/dbraw/zinc/05/81/39/1018058139.db2.gz ICFFKXQOYVSDJN-GXSJLCMTSA-N -1 0 323.353 -0.722 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CCCC(=O)[O-])C1 ZINC001602751006 1018058228 /nfs/dbraw/zinc/05/82/28/1018058228.db2.gz JNTYXPBSYQYVCZ-LLVKDONJSA-N -1 0 314.338 -0.088 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001602758217 1018060239 /nfs/dbraw/zinc/06/02/39/1018060239.db2.gz YOHVQMOAPKGFNE-UHFFFAOYSA-N -1 0 308.294 -0.687 20 0 DBADRM CC(=O)Nc1ccc(CNC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC001602765380 1018064240 /nfs/dbraw/zinc/06/42/40/1018064240.db2.gz QFVXGSULVBORQZ-UHFFFAOYSA-N -1 0 307.306 -0.148 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])n1cccn1 ZINC001602789171 1018064342 /nfs/dbraw/zinc/06/43/42/1018064342.db2.gz INMMQVBGLXKLOC-IUCAKERBSA-N -1 0 301.324 -0.846 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC001602804684 1018065133 /nfs/dbraw/zinc/06/51/33/1018065133.db2.gz IUZGNGJIANZTRQ-RXMQYKEDSA-N -1 0 323.227 -0.152 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001602796842 1018065411 /nfs/dbraw/zinc/06/54/11/1018065411.db2.gz IVJNFGCHGDLZCK-JTQLQIEISA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)C(=O)Nc1cnc(N(C)C)nc1)C1CC1 ZINC001602815239 1018066441 /nfs/dbraw/zinc/06/64/41/1018066441.db2.gz YMILVFWNDZKPIP-MRVPVSSYSA-N -1 0 321.337 -0.055 20 0 DBADRM C=CC(=O)NCCC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001602798495 1018066636 /nfs/dbraw/zinc/06/66/36/1018066636.db2.gz SJVGFLGBWPVSGC-UHFFFAOYSA-N -1 0 309.322 -0.099 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC001602804729 1018067115 /nfs/dbraw/zinc/06/71/15/1018067115.db2.gz JVSRMGWRUJDEQL-YUMQZZPRSA-N -1 0 321.376 -0.280 20 0 DBADRM C=C/C=C/CC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001602807325 1018067559 /nfs/dbraw/zinc/06/75/59/1018067559.db2.gz JIOVDLWUTYKWQZ-ONEGZZNKSA-N -1 0 317.309 -0.623 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC001602836773 1018070139 /nfs/dbraw/zinc/07/01/39/1018070139.db2.gz LFXCZRUZGBHECK-UHFFFAOYSA-N -1 0 300.311 -0.621 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(N2C(=O)N[C@@]3(CCOC3)C2=O)n1 ZINC001602838559 1018070246 /nfs/dbraw/zinc/07/02/46/1018070246.db2.gz SPSDPTQWYSNPBY-CYBMUJFWSA-N -1 0 308.294 -0.082 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001602847888 1018070589 /nfs/dbraw/zinc/07/05/89/1018070589.db2.gz ZOBXZRWKHJMBLO-ABAIWWIYSA-N -1 0 314.382 -0.361 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001602847891 1018070766 /nfs/dbraw/zinc/07/07/66/1018070766.db2.gz ZOBXZRWKHJMBLO-XHDPSFHLSA-N -1 0 314.382 -0.361 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)OCC(=O)C(=O)[O-])C1 ZINC001602881738 1018071510 /nfs/dbraw/zinc/07/15/10/1018071510.db2.gz IOENIDXHGRADJB-UHFFFAOYSA-N -1 0 303.267 -0.835 20 0 DBADRM CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001602871731 1018071212 /nfs/dbraw/zinc/07/12/12/1018071212.db2.gz RHONNALMDJCDRN-JTQLQIEISA-N -1 0 323.353 -0.118 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001602870894 1018073561 /nfs/dbraw/zinc/07/35/61/1018073561.db2.gz LGQPCDKSEWZINF-KYZUINATSA-N -1 0 321.399 -0.133 20 0 DBADRM CC(=O)N1CCC[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001602927509 1018078402 /nfs/dbraw/zinc/07/84/02/1018078402.db2.gz KDCGHJLIAKNCIE-SNVBAGLBSA-N -1 0 302.342 -0.251 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1C[C@@H](O)CC(F)(F)C1)C(=O)[O-] ZINC001602938728 1018082580 /nfs/dbraw/zinc/08/25/80/1018082580.db2.gz SSFKCRXPKICYNT-QMMMGPOBSA-N -1 0 322.308 -0.168 20 0 DBADRM CC(=O)Nc1c(C)[n-]n(-c2ccc(-c3nn[nH]n3)cn2)c1=O ZINC001602939500 1018082793 /nfs/dbraw/zinc/08/27/93/1018082793.db2.gz XJAGMZPKTMUEOG-JTQLQIEISA-N -1 0 300.282 -0.511 20 0 DBADRM CC(=O)N[C@H]1CCC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001602939253 1018083415 /nfs/dbraw/zinc/08/34/15/1018083415.db2.gz MAAUCOWCFAWBKY-UWVGGRQHSA-N -1 0 302.342 -0.062 20 0 DBADRM C/C(=C\C(=O)[O-])CN(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001602954189 1018084938 /nfs/dbraw/zinc/08/49/38/1018084938.db2.gz CRDOHCUWMBNPLU-NAZIUFLLSA-N -1 0 304.368 -0.748 20 0 DBADRM C/C(=C\CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC001602964641 1018085072 /nfs/dbraw/zinc/08/50/72/1018085072.db2.gz QTGVXADBXRGAHY-HMCFADQJSA-N -1 0 302.396 -0.178 20 0 DBADRM C/C(=C/C(=O)[O-])CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001602957358 1018085422 /nfs/dbraw/zinc/08/54/22/1018085422.db2.gz HHNXTGGEDJOMCA-FLIBITNWSA-N -1 0 323.349 -0.690 20 0 DBADRM C/C(=C/CNC(=O)N1CCCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001602966906 1018085450 /nfs/dbraw/zinc/08/54/50/1018085450.db2.gz FGSYEPTUYCPXLW-WMZJFQQLSA-N -1 0 319.383 -0.306 20 0 DBADRM CC(C)(O)C1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001602954246 1018085772 /nfs/dbraw/zinc/08/57/72/1018085772.db2.gz ABFILYQKWAKMLO-UHFFFAOYSA-N -1 0 307.306 -0.052 20 0 DBADRM C/C(=C\C(=O)[O-])CN1CCCN(S(=O)(=O)N(C)C)CC1 ZINC001602957862 1018085995 /nfs/dbraw/zinc/08/59/95/1018085995.db2.gz JZKODDUFWBBXNL-PKNBQFBNSA-N -1 0 305.400 -0.169 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N(C)Cc1nnc2c(=O)n(C)ccn12 ZINC001602961471 1018086495 /nfs/dbraw/zinc/08/64/95/1018086495.db2.gz ZGRQMWNLHVNEQR-JTQLQIEISA-N -1 0 321.337 -0.257 20 0 DBADRM CC(C)(F)CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001602950421 1018086746 /nfs/dbraw/zinc/08/67/46/1018086746.db2.gz XJJKJHVRKRAACZ-UHFFFAOYSA-N -1 0 304.318 -0.152 20 0 DBADRM CC(C)C(=O)NC1CCN(C(=O)C(=O)NCCC(=O)[O-])CC1 ZINC001602959478 1018087133 /nfs/dbraw/zinc/08/71/33/1018087133.db2.gz UQWJOBOQWWKWJF-UHFFFAOYSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)(CO)CCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001602948450 1018087509 /nfs/dbraw/zinc/08/75/09/1018087509.db2.gz FKWUYRRITQYZTE-JTQLQIEISA-N -1 0 316.354 -0.787 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)NCCN1CCC2(C1)OCCO2 ZINC001602970085 1018087761 /nfs/dbraw/zinc/08/77/61/1018087761.db2.gz KUXUXEVRDHPNPH-NSHDSACASA-N -1 0 300.355 -0.092 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)NCCCCn1cc(C(N)=O)nn1 ZINC001602970306 1018088156 /nfs/dbraw/zinc/08/81/56/1018088156.db2.gz PNLOQCYTTXMRBN-JTQLQIEISA-N -1 0 311.342 -0.370 20 0 DBADRM CC(C)[C@H](CNC(=O)N1C[C@@H](CO)[C@H](CCO)C1)C(=O)[O-] ZINC001602978781 1018088533 /nfs/dbraw/zinc/08/85/33/1018088533.db2.gz SJMLGGFYULBPBW-WOPDTQHZSA-N -1 0 302.371 -0.025 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCCc1nnc2n1CCN(C)C2=O ZINC001602970015 1018088821 /nfs/dbraw/zinc/08/88/21/1018088821.db2.gz IUMZADOUEGEHIN-SNVBAGLBSA-N -1 0 323.353 -0.621 20 0 DBADRM C[C@@H](C(=O)N(C)C[C@@H](O)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001602988607 1018091361 /nfs/dbraw/zinc/09/13/61/1018091361.db2.gz LRKZPVCYKBXLSU-IONNQARKSA-N -1 0 306.330 -0.752 20 0 DBADRM CC(C)[C@H](CNC(=O)C1(CS(C)(=O)=O)COC1)C(=O)[O-] ZINC001602977602 1018091752 /nfs/dbraw/zinc/09/17/52/1018091752.db2.gz GFOOBOVPPMODNI-VIFPVBQESA-N -1 0 307.368 -0.479 20 0 DBADRM CC(C)[C@H](CO)CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001602992576 1018092215 /nfs/dbraw/zinc/09/22/15/1018092215.db2.gz KPKPFSSCJDUNMQ-VIFPVBQESA-N -1 0 312.326 -0.713 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001603002792 1018092532 /nfs/dbraw/zinc/09/25/32/1018092532.db2.gz KZJWDTLGGPRKTN-OPRDCNLKSA-N -1 0 313.354 -0.628 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@](C)(O)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001602999234 1018093083 /nfs/dbraw/zinc/09/30/83/1018093083.db2.gz FVYJZHVUIBSRIG-PRHODGIISA-N -1 0 306.330 -0.607 20 0 DBADRM CC(=O)CCC(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001603000089 1018093698 /nfs/dbraw/zinc/09/36/98/1018093698.db2.gz SBZICRGYTCLSBT-UHFFFAOYSA-N -1 0 305.352 -0.106 20 0 DBADRM C[C@H](C(=O)N1CC[C@@]2(O)C[C@H]2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001603003288 1018094338 /nfs/dbraw/zinc/09/43/38/1018094338.db2.gz IDJMICUUYWHJAL-RGNHYFCHSA-N -1 0 304.314 -0.998 20 0 DBADRM C[C@@H](C(=O)N1C[C@@H](O)CC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001603004499 1018094642 /nfs/dbraw/zinc/09/46/42/1018094642.db2.gz GJCLFOBZNFOMSW-VGMNWLOBSA-N -1 0 306.330 -0.609 20 0 DBADRM C[C@H](C(=O)NCCc1cscn1)n1cnc(-c2nnn[n-]2)n1 ZINC001603017075 1018097153 /nfs/dbraw/zinc/09/71/53/1018097153.db2.gz ODMISIIJNRIZGB-SSDOTTSWSA-N -1 0 319.354 -0.165 20 0 DBADRM CC(C)C[C@H](CNC(=O)NCC1(S(N)(=O)=O)CC1)C(=O)[O-] ZINC001603011694 1018097280 /nfs/dbraw/zinc/09/72/80/1018097280.db2.gz DDNHNWJJKFGCAZ-SECBINFHSA-N -1 0 321.399 -0.146 20 0 DBADRM CC(=O)N1CCC(NC(=O)CN2C[C@@H](F)C[C@H]2C(=O)[O-])CC1 ZINC001603019051 1018097353 /nfs/dbraw/zinc/09/73/53/1018097353.db2.gz QLHZBTLYIHRSQC-JQWIXIFHSA-N -1 0 315.345 -0.390 20 0 DBADRM C[C@H](C(=O)NCCC[C@@H]1CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603014642 1018098084 /nfs/dbraw/zinc/09/80/84/1018098084.db2.gz CZZSXGYPEYOJAS-NXEZZACHSA-N -1 0 320.357 -0.048 20 0 DBADRM C[C@H](C(=O)NCCc1cc[nH]n1)n1cnc(-c2nnn[n-]2)n1 ZINC001603017104 1018098828 /nfs/dbraw/zinc/09/88/28/1018098828.db2.gz OFJUSNIXDUTFOT-SSDOTTSWSA-N -1 0 302.302 -0.899 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001603021180 1018104803 /nfs/dbraw/zinc/10/48/03/1018104803.db2.gz XGPLPYUDAMSGTQ-LLVKDONJSA-N -1 0 309.326 -0.507 20 0 DBADRM CC(C)CN1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)[C@H](C)C1=O ZINC001603029140 1018105665 /nfs/dbraw/zinc/10/56/65/1018105665.db2.gz JJBVSHFALRCELW-MWLCHTKSSA-N -1 0 311.338 -0.069 20 0 DBADRM CC(=O)N1CCN(C(=O)C(=O)NCCCCC(=O)[O-])[C@H](C)C1 ZINC001603023352 1018105803 /nfs/dbraw/zinc/10/58/03/1018105803.db2.gz ONFQHWQKJDSUBD-SNVBAGLBSA-N -1 0 313.354 -0.563 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])[C@@H](C)C1 ZINC001603025289 1018106982 /nfs/dbraw/zinc/10/69/82/1018106982.db2.gz ABJWZHCBRTVRAJ-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001603035958 1018108268 /nfs/dbraw/zinc/10/82/68/1018108268.db2.gz XYTGHVHURQNDRI-WPRPVWTQSA-N -1 0 309.326 -0.336 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001603035260 1018109119 /nfs/dbraw/zinc/10/91/19/1018109119.db2.gz PTQDESHJTYTASI-VIFPVBQESA-N -1 0 309.326 -0.336 20 0 DBADRM CC(=O)N[C@H](C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)C(C)C ZINC001603034754 1018109712 /nfs/dbraw/zinc/10/97/12/1018109712.db2.gz BVVJYIJGFARTNT-SMDDNHRTSA-N -1 0 311.338 -0.021 20 0 DBADRM CC(=O)NC(C)(C)C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001603035536 1018110169 /nfs/dbraw/zinc/11/01/69/1018110169.db2.gz DAIAUSULXLJYMS-JTQLQIEISA-N -1 0 302.327 -0.330 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@@H]1C(=O)[O-] ZINC001603035029 1018110752 /nfs/dbraw/zinc/11/07/52/1018110752.db2.gz HYRKCDTXSBZFHV-SECBINFHSA-N -1 0 313.354 -0.519 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])C(N)=O ZINC001603052628 1018112713 /nfs/dbraw/zinc/11/27/13/1018112713.db2.gz ORRWGVBKPFZGNS-DTWKUNHWSA-N -1 0 301.343 -0.628 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)OCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001603052886 1018113163 /nfs/dbraw/zinc/11/31/63/1018113163.db2.gz XGTXBNMIZSXPQG-WPRPVWTQSA-N -1 0 302.327 -0.330 20 0 DBADRM CC(=O)Nc1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cn1 ZINC001603069504 1018113813 /nfs/dbraw/zinc/11/38/13/1018113813.db2.gz AYAYCHWPEVWBEH-UHFFFAOYSA-N -1 0 318.293 -0.354 20 0 DBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[C@@H]3C(=O)[O-])c2C1 ZINC001603046049 1018113972 /nfs/dbraw/zinc/11/39/72/1018113972.db2.gz HPOVJKCYNGZZDU-ZYHUDNBSSA-N -1 0 320.349 -0.119 20 0 DBADRM CC(=O)NC[C@H]1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001603044272 1018114113 /nfs/dbraw/zinc/11/41/13/1018114113.db2.gz CYSOEWYBXMAMDO-GARJFASQSA-N -1 0 320.367 -0.984 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)c2csc(C(=O)[O-])n2)CCO1 ZINC001603044666 1018114983 /nfs/dbraw/zinc/11/49/83/1018114983.db2.gz IJCASQUGPICEEX-MRVPVSSYSA-N -1 0 313.335 -0.182 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC001603057838 1018115061 /nfs/dbraw/zinc/11/50/61/1018115061.db2.gz DVYMNNVCFKXUMZ-WCBMZHEXSA-N -1 0 302.327 -0.330 20 0 DBADRM CC(C)N(C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)[C@H]1CCOC1 ZINC001603056128 1018115619 /nfs/dbraw/zinc/11/56/19/1018115619.db2.gz HPSKECLUCKEQCX-JTQLQIEISA-N -1 0 324.337 -0.068 20 0 DBADRM CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001603110216 1018116403 /nfs/dbraw/zinc/11/64/03/1018116403.db2.gz XPSAGUJDUPMWPQ-CYBMUJFWSA-N -1 0 312.326 -0.566 20 0 DBADRM CC(=O)Nc1ncccc1NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001603086417 1018116845 /nfs/dbraw/zinc/11/68/45/1018116845.db2.gz MHOXPJZJLBIFGV-UHFFFAOYSA-N -1 0 304.266 -0.032 20 0 DBADRM CC(C)n1cnnc1CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603115409 1018118518 /nfs/dbraw/zinc/11/85/18/1018118518.db2.gz ZPWXXFTZBJCYRH-SNVBAGLBSA-N -1 0 323.353 -0.202 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])s1 ZINC001603086356 1018119699 /nfs/dbraw/zinc/11/96/99/1018119699.db2.gz IOVQMYXOWBVNMS-SECBINFHSA-N -1 0 323.352 -0.785 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001603087506 1018119611 /nfs/dbraw/zinc/11/96/11/1018119611.db2.gz GEDFWDCUAQYQNB-SNVBAGLBSA-N -1 0 311.381 -0.181 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)N2CC(O)(CO)C2)c(C(=O)[O-])c1C ZINC001603092754 1018120001 /nfs/dbraw/zinc/12/00/01/1018120001.db2.gz VDRHJUNOKNDQDE-UHFFFAOYSA-N -1 0 310.306 -0.668 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC001603134646 1018122297 /nfs/dbraw/zinc/12/22/97/1018122297.db2.gz ZRPDMURQKPNAMZ-DTWKUNHWSA-N -1 0 324.424 -0.315 20 0 DBADRM C[C@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])n1ccnc1 ZINC001603138626 1018123086 /nfs/dbraw/zinc/12/30/86/1018123086.db2.gz RVBPCPLBPHEURL-GFCCVEGCSA-N -1 0 310.354 -0.311 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1)C(=O)[O-] ZINC001603145379 1018126281 /nfs/dbraw/zinc/12/62/81/1018126281.db2.gz PNSQYRZQCNBWFQ-VLEAKVRGSA-N -1 0 314.338 -0.914 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1)C(=O)[O-] ZINC001603144997 1018126452 /nfs/dbraw/zinc/12/64/52/1018126452.db2.gz KYGDWUYBBGVNEU-GMTAPVOTSA-N -1 0 315.370 -0.999 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)c1cc(C(=O)[O-])nn1C ZINC001603143125 1018126995 /nfs/dbraw/zinc/12/69/95/1018126995.db2.gz QCYVMGYRJBWAGX-SSDOTTSWSA-N -1 0 303.340 -0.329 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@@H](C(=O)N(C)C)C1)C(=O)[O-] ZINC001603144940 1018128409 /nfs/dbraw/zinc/12/84/09/1018128409.db2.gz JWQWZABDYOBTGH-NXEZZACHSA-N -1 0 313.354 -0.898 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1=O ZINC001603145254 1018128565 /nfs/dbraw/zinc/12/85/65/1018128565.db2.gz ODGMYIDCNYKRAH-UWVGGRQHSA-N -1 0 313.354 -0.709 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@H](O)C(F)(F)C1)C(=O)[O-] ZINC001603146033 1018130327 /nfs/dbraw/zinc/13/03/27/1018130327.db2.gz YFIHPIHYCPPPAK-SFYZADRCSA-N -1 0 308.281 -0.606 20 0 DBADRM C[C@@H](C(=O)N1CCOC[C@H]1C(=O)[O-])n1nnnc1C(C)(C)C ZINC001603148038 1018130530 /nfs/dbraw/zinc/13/05/30/1018130530.db2.gz KFJKORODSNUQCP-IUCAKERBSA-N -1 0 311.342 -0.156 20 0 DBADRM C[C@H](C(=O)N[C@H](CCC1OCCO1)C(=O)[O-])[C@H]1CCC(=O)N1 ZINC001603155116 1018130851 /nfs/dbraw/zinc/13/08/51/1018130851.db2.gz OKBWMXIBROLICS-IVZWLZJFSA-N -1 0 314.338 -0.376 20 0 DBADRM C[C@H](C(=O)NC1(C(=O)[O-])CC(CO)C1)[C@@H](C)S(C)(=O)=O ZINC001603154445 1018130938 /nfs/dbraw/zinc/13/09/38/1018130938.db2.gz DZRQXESYOIUBPN-CBALSNJHSA-N -1 0 307.368 -0.603 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CC[C@@H](O)C(F)(F)C1)C(=O)[O-] ZINC001603146028 1018132191 /nfs/dbraw/zinc/13/21/91/1018132191.db2.gz YFIHPIHYCPPPAK-JGVFFNPUSA-N -1 0 308.281 -0.606 20 0 DBADRM C[C@H](CN(C)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC001603150263 1018132568 /nfs/dbraw/zinc/13/25/68/1018132568.db2.gz PANKSFZYUIUPJQ-GMTAPVOTSA-N -1 0 315.370 -0.016 20 0 DBADRM C[C@H](CN(C)c1nnnn1CC(=O)N1CCCCC1)C(=O)[O-] ZINC001603159195 1018133897 /nfs/dbraw/zinc/13/38/97/1018133897.db2.gz UJCDEPBYQJCVSM-SNVBAGLBSA-N -1 0 310.358 -0.158 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@@H](C)CN1CCOCC1)C(=O)[O-] ZINC001603158824 1018134381 /nfs/dbraw/zinc/13/43/81/1018134381.db2.gz GELBFRMKWLSYTH-MNOVXSKESA-N -1 0 315.370 -0.998 20 0 DBADRM C[C@@H](CN1CCOCC1)N(C)CCS(=O)(=O)CC(=O)[O-] ZINC001603158886 1018135597 /nfs/dbraw/zinc/13/55/97/1018135597.db2.gz JBBAFLGJBBDYFW-NSHDSACASA-N -1 0 308.400 -0.862 20 0 DBADRM C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC001603159281 1018135720 /nfs/dbraw/zinc/13/57/20/1018135720.db2.gz VTEHJWJNTRDSPQ-WDEREUQCSA-N -1 0 315.370 -0.998 20 0 DBADRM C[C@H](C(=O)NCCCNc1ncc(C(=O)[O-])cn1)n1cncn1 ZINC001603164919 1018136490 /nfs/dbraw/zinc/13/64/90/1018136490.db2.gz XFUMRCCAXHDOLM-SECBINFHSA-N -1 0 319.325 -0.054 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(C)(C)O)C1)C(=O)[O-] ZINC001603158946 1018136746 /nfs/dbraw/zinc/13/67/46/1018136746.db2.gz MQRFXWHZRZKILI-NXEZZACHSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)CN1CCOCC1)C(=O)[O-] ZINC001603159280 1018137385 /nfs/dbraw/zinc/13/73/85/1018137385.db2.gz VTEHJWJNTRDSPQ-QWRGUYRKSA-N -1 0 315.370 -0.998 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCCO1)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001603164222 1018137540 /nfs/dbraw/zinc/13/75/40/1018137540.db2.gz KAPJWIYJVCTSMU-RHYQMDGZSA-N -1 0 300.355 -0.156 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603159294 1018137644 /nfs/dbraw/zinc/13/76/44/1018137644.db2.gz VYVIWHULZXUKPU-NSHDSACASA-N -1 0 323.349 -0.617 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1nc2c(s1)COCC2)C(=O)[O-] ZINC001603166197 1018139168 /nfs/dbraw/zinc/13/91/68/1018139168.db2.gz GDYZWDAQYYUNAW-ZCFIWIBFSA-N -1 0 313.335 -0.009 20 0 DBADRM C[C@H](C(=O)NCCn1cc(C(=O)[O-])nn1)[C@@H](C)S(C)(=O)=O ZINC001603165833 1018140996 /nfs/dbraw/zinc/14/09/96/1018140996.db2.gz DWIUQUIXNJXUQJ-JGVFFNPUSA-N -1 0 318.355 -0.838 20 0 DBADRM C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001603199950 1018144924 /nfs/dbraw/zinc/14/49/24/1018144924.db2.gz WCJHBIZAMISGFP-AXFHLTTASA-N -1 0 322.383 -0.436 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001603295758 1018162030 /nfs/dbraw/zinc/16/20/30/1018162030.db2.gz MVMPXMILYYHIRN-QMMMGPOBSA-N -1 0 304.322 -1.000 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC=C[C@H]1CO)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603211024 1018147354 /nfs/dbraw/zinc/14/73/54/1018147354.db2.gz RYTZMVLUISSJJR-NOOOWODRSA-N -1 0 324.377 -0.003 20 0 DBADRM C[C@H](NC(=O)COC(=O)C1(CC(=O)[O-])CCC1)C(=O)N(C)C ZINC001603220361 1018148781 /nfs/dbraw/zinc/14/87/81/1018148781.db2.gz MKZHXCXPKYFHDK-VIFPVBQESA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)C(=O)NCC(F)(F)F ZINC001603240535 1018150176 /nfs/dbraw/zinc/15/01/76/1018150176.db2.gz NBUQFIGQFDKDMQ-YFKPBYRVSA-N -1 0 323.231 -0.841 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1nnc2c(=O)[nH]ccn21 ZINC001603234995 1018150751 /nfs/dbraw/zinc/15/07/51/1018150751.db2.gz ZZBPLDMCIYCREI-BWZBUEFSSA-N -1 0 305.294 -0.294 20 0 DBADRM CC(C)[C@@H]1CCN1C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001603246737 1018152807 /nfs/dbraw/zinc/15/28/07/1018152807.db2.gz WAKFGQISJOPJEM-VIFPVBQESA-N -1 0 319.325 -0.614 20 0 DBADRM C[C@H](O)[C@H]1CCCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001603266234 1018154491 /nfs/dbraw/zinc/15/44/91/1018154491.db2.gz RIKVATQNQNWVCT-SDDRHHMPSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001603265854 1018155177 /nfs/dbraw/zinc/15/51/77/1018155177.db2.gz NUHXAMNLRLRMNS-KPXOXKRLSA-N -1 0 312.366 -0.121 20 0 DBADRM CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)c2ccc3nn[n-]c3n2)CC1 ZINC001603262849 1018155663 /nfs/dbraw/zinc/15/56/63/1018155663.db2.gz QHWGQIYLQLSSOA-UHFFFAOYSA-N -1 0 318.337 -0.026 20 0 DBADRM CC(C)CC(=O)OCn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC001603256799 1018156254 /nfs/dbraw/zinc/15/62/54/1018156254.db2.gz QDJSTGXKIFNUGG-UHFFFAOYSA-N -1 0 308.298 -0.726 20 0 DBADRM C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001603265495 1018156460 /nfs/dbraw/zinc/15/64/60/1018156460.db2.gz LEVBKPWETREKJH-NXEZZACHSA-N -1 0 324.337 -0.474 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1c[nH]nc1C(F)(F)F)C(=O)[O-] ZINC001603263775 1018156529 /nfs/dbraw/zinc/15/65/29/1018156529.db2.gz QKYGLVCMXPGKPI-ZETCQYMHSA-N -1 0 317.245 -0.458 20 0 DBADRM C[C@@H](O)CCCNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603265194 1018156612 /nfs/dbraw/zinc/15/66/12/1018156612.db2.gz GOXDRTIGBWXYMQ-GHMZBOCLSA-N -1 0 315.370 -0.088 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)CCO1 ZINC001603266701 1018158378 /nfs/dbraw/zinc/15/83/78/1018158378.db2.gz XXNSLEVUTYLALC-GXSJLCMTSA-N -1 0 310.306 -0.845 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)c2cc(C(=O)[O-])nn2C)[C@@H](C)C1 ZINC001603268931 1018159820 /nfs/dbraw/zinc/15/98/20/1018159820.db2.gz QHKGZKWENWFJPU-UWVGGRQHSA-N -1 0 310.354 -0.355 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCO1 ZINC001603266769 1018160100 /nfs/dbraw/zinc/16/01/00/1018160100.db2.gz ZIRCAYQIJKBKHS-PSASIEDQSA-N -1 0 323.305 -0.674 20 0 DBADRM C[C@@H](O)c1cn(C2CN(C(=O)C3(C(=O)[O-])CCOCC3)C2)nn1 ZINC001603269089 1018160168 /nfs/dbraw/zinc/16/01/68/1018160168.db2.gz SGOLLPZKIKVSPU-SECBINFHSA-N -1 0 324.337 -0.404 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)c2cc(C(=O)[O-])nn2C)[C@@H](C)C1 ZINC001603268932 1018160278 /nfs/dbraw/zinc/16/02/78/1018160278.db2.gz QHKGZKWENWFJPU-VHSXEESVSA-N -1 0 310.354 -0.355 20 0 DBADRM CC(C)CS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[nH]n2)nc1 ZINC001603303030 1018161924 /nfs/dbraw/zinc/16/19/24/1018161924.db2.gz YFNSORVUKPCMEA-UHFFFAOYSA-N -1 0 324.366 -0.094 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)C1 ZINC001603296998 1018162059 /nfs/dbraw/zinc/16/20/59/1018162059.db2.gz FEEXVWIHFACGAI-PRHODGIISA-N -1 0 320.292 -0.462 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)C1 ZINC001603296939 1018162219 /nfs/dbraw/zinc/16/22/19/1018162219.db2.gz BHAFTLGDWMRPEQ-LSDHHAIUSA-N -1 0 323.349 -0.952 20 0 DBADRM C[C@]1(C(=O)OCC(=O)NCC(=O)[O-])COc2ccccc2O1 ZINC001603309823 1018163288 /nfs/dbraw/zinc/16/32/88/1018163288.db2.gz HXWLCBFQYQHXIV-CQSZACIVSA-N -1 0 309.274 -0.040 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@](F)(CO)C2)C1 ZINC001603297380 1018163455 /nfs/dbraw/zinc/16/34/55/1018163455.db2.gz SQZUOPWGPUJCTC-STQMWFEESA-N -1 0 302.302 -0.758 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001603301826 1018163488 /nfs/dbraw/zinc/16/34/88/1018163488.db2.gz QLZKQANBUZHURZ-ZDUSSCGKSA-N -1 0 305.294 -0.786 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001603310155 1018163798 /nfs/dbraw/zinc/16/37/98/1018163798.db2.gz KACXUMDJTQSDBA-QMMMGPOBSA-N -1 0 323.349 -0.114 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)C1 ZINC001603296936 1018164059 /nfs/dbraw/zinc/16/40/59/1018164059.db2.gz BHAFTLGDWMRPEQ-CABCVRRESA-N -1 0 323.349 -0.952 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC(S(N)(=O)=O)CC1 ZINC001603323094 1018165458 /nfs/dbraw/zinc/16/54/58/1018165458.db2.gz VJPNOPSTEYFYFM-LBPRGKRZSA-N -1 0 304.368 -0.233 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC001603320983 1018165914 /nfs/dbraw/zinc/16/59/14/1018165914.db2.gz OMWUDVGCDIIXLO-PVJOKMEKSA-N -1 0 323.349 -0.018 20 0 DBADRM CC1(C)CN(C(=O)C2(C(=O)[O-])CCOCC2)C[C@@H](CO)O1 ZINC001603329583 1018166470 /nfs/dbraw/zinc/16/64/70/1018166470.db2.gz SYFBKYXWDHXSLS-JTQLQIEISA-N -1 0 301.339 -0.134 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001603321756 1018166770 /nfs/dbraw/zinc/16/67/70/1018166770.db2.gz XHGAWUYZJCHJLJ-AWEZNQCLSA-N -1 0 309.322 -0.044 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC001603320985 1018167558 /nfs/dbraw/zinc/16/75/58/1018167558.db2.gz OMWUDVGCDIIXLO-SVGYWBMUSA-N -1 0 323.349 -0.018 20 0 DBADRM CC(C)(C)/C=C/C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001603321419 1018167933 /nfs/dbraw/zinc/16/79/33/1018167933.db2.gz SRFBZPAHJJCPSV-ZJRFNNFUSA-N -1 0 324.377 -0.001 20 0 DBADRM CC(C)NC(=O)CCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001603335182 1018168092 /nfs/dbraw/zinc/16/80/92/1018168092.db2.gz JOCPBTFEEVVPQM-MRVPVSSYSA-N -1 0 321.345 -0.950 20 0 DBADRM CC(C)Cn1ncnc1Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001603314131 1018168118 /nfs/dbraw/zinc/16/81/18/1018168118.db2.gz CUZSKSYYTYIKOM-UHFFFAOYSA-N -1 0 317.313 -0.575 20 0 DBADRM C[C@]12CN(C(=O)c3ccc(C(=O)[O-])cn3)C[C@@]1(C)C(=O)NC2=O ZINC001603347664 1018169192 /nfs/dbraw/zinc/16/91/92/1018169192.db2.gz CRTIQDBPFVQGNT-GASCZTMLSA-N -1 0 317.301 -0.095 20 0 DBADRM C[C@@]1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCC(=O)N1 ZINC001603341789 1018170011 /nfs/dbraw/zinc/17/00/11/1018170011.db2.gz OZKLXXVECJQCCP-LBPRGKRZSA-N -1 0 319.383 -0.714 20 0 DBADRM CC(C)(C)CNC(=O)CN(CCN1CCOCC1)CC(=O)[O-] ZINC001603338630 1018170652 /nfs/dbraw/zinc/17/06/52/1018170652.db2.gz NVGNRHFRQURUGW-UHFFFAOYSA-N -1 0 315.414 -0.133 20 0 DBADRM C[C@]1(CNC(=O)c2cccn(CC(=O)[O-])c2=O)CCC(=O)N1 ZINC001603340713 1018170817 /nfs/dbraw/zinc/17/08/17/1018170817.db2.gz ACYBTSMHLWQJCH-CQSZACIVSA-N -1 0 307.306 -0.669 20 0 DBADRM C[C@H]1C(=O)N(NC(=O)C2(CC(=O)[O-])CCOCC2)C(=O)N1C ZINC001603354505 1018173570 /nfs/dbraw/zinc/17/35/70/1018173570.db2.gz JBAHNPIPQAGGLF-QMMMGPOBSA-N -1 0 313.310 -0.428 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NCC[C@H](O)C(=O)[O-])C1 ZINC001603358407 1018173899 /nfs/dbraw/zinc/17/38/99/1018173899.db2.gz IAOAOFSWOXIPGW-DTWKUNHWSA-N -1 0 316.310 -0.575 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ncn(C)n2)C1 ZINC001603355659 1018173920 /nfs/dbraw/zinc/17/39/20/1018173920.db2.gz VJTPGKMTVFVKKI-IUCAKERBSA-N -1 0 309.326 -1.000 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001603354004 1018174028 /nfs/dbraw/zinc/17/40/28/1018174028.db2.gz DXIBRAGBHLUPDQ-XNWIYYODSA-N -1 0 311.338 -0.907 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)C[C@H]2C[C@@H](O)C2)C1 ZINC001603355632 1018174229 /nfs/dbraw/zinc/17/42/29/1018174229.db2.gz UZEMYNLFGUHRDK-FIQHERPVSA-N -1 0 312.366 -0.215 20 0 DBADRM CC(C)(C)OC(=O)C1(C(=O)NCC(=O)NCC(=O)[O-])CC1 ZINC001603359447 1018174405 /nfs/dbraw/zinc/17/44/05/1018174405.db2.gz YJQDCFMBXPQASS-UHFFFAOYSA-N -1 0 300.311 -0.575 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001603352396 1018175040 /nfs/dbraw/zinc/17/50/40/1018175040.db2.gz QCCQIYGGKRKNRH-OCAPTIKFSA-N -1 0 301.324 -0.499 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001603353837 1018175097 /nfs/dbraw/zinc/17/50/97/1018175097.db2.gz CKVHRDXMEFPWCJ-VIFPVBQESA-N -1 0 319.317 -0.352 20 0 DBADRM C[C@@H]1C[C@@H](n2nnnc2N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@@H](C)O1 ZINC001603381267 1018176415 /nfs/dbraw/zinc/17/64/15/1018176415.db2.gz WDQICQWIKVSYAX-GOBQNSBTSA-N -1 0 323.353 -0.051 20 0 DBADRM C[C@@H]1C[C@@H](CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC001603375620 1018177141 /nfs/dbraw/zinc/17/71/41/1018177141.db2.gz CTVLYQDDXTVZSF-OUAUKWLOSA-N -1 0 314.338 -0.770 20 0 DBADRM CC(C)(C)OC(=O)CCNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001603370476 1018177463 /nfs/dbraw/zinc/17/74/63/1018177463.db2.gz CUZYCYFQHIEVLF-KYZUINATSA-N -1 0 314.338 -0.186 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001603373606 1018177848 /nfs/dbraw/zinc/17/78/48/1018177848.db2.gz DUFYKPHQCGITLR-CYBMUJFWSA-N -1 0 303.311 -0.295 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001603373722 1018178892 /nfs/dbraw/zinc/17/88/92/1018178892.db2.gz JRWANQPKFOKLMH-SKDRFNHKSA-N -1 0 316.354 -0.646 20 0 DBADRM C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001603374573 1018178971 /nfs/dbraw/zinc/17/89/71/1018178971.db2.gz FGURSWRBJHTZLN-NXEZZACHSA-N -1 0 324.337 -0.617 20 0 DBADRM CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N[C@H](CO)C(=O)[O-])C1 ZINC001603386632 1018180912 /nfs/dbraw/zinc/18/09/12/1018180912.db2.gz AEIWWFBJJSKTNC-RKDXNWHRSA-N -1 0 314.338 -0.195 20 0 DBADRM CC(C)c1nc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)no1 ZINC001603414457 1018181476 /nfs/dbraw/zinc/18/14/76/1018181476.db2.gz UPQCNYBLMJNQAC-UHFFFAOYSA-N -1 0 304.270 -0.316 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)C[C@H]2CN(C)CCO2)[C@@H]1C(=O)[O-] ZINC001603415074 1018181583 /nfs/dbraw/zinc/18/15/83/1018181583.db2.gz VQEVFSIQGYVQHL-UTUOFQBUSA-N -1 0 320.411 -0.168 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)C[C@@H]1C(=O)[O-] ZINC001603415709 1018182692 /nfs/dbraw/zinc/18/26/92/1018182692.db2.gz IKTURQXIWMMKNN-KOLCDFICSA-N -1 0 321.333 -0.107 20 0 DBADRM C[C@H]1CCS(=O)(=O)CCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001603433199 1018184005 /nfs/dbraw/zinc/18/40/05/1018184005.db2.gz CSDDQEVHFRUOPJ-VHSXEESVSA-N -1 0 304.368 -0.819 20 0 DBADRM C[C@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC001603439470 1018184366 /nfs/dbraw/zinc/18/43/66/1018184366.db2.gz NILXDAINICVJTQ-IUCAKERBSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@@H]1CCc2[nH]nc(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)c2C1 ZINC001603433056 1018184423 /nfs/dbraw/zinc/18/44/23/1018184423.db2.gz CHCGFCFCGZAMBO-SECBINFHSA-N -1 0 320.349 -0.097 20 0 DBADRM C[C@H]1CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CC[C@@H]1O ZINC001603439071 1018185145 /nfs/dbraw/zinc/18/51/45/1018185145.db2.gz HXNLJHVJSLVHDL-UWVGGRQHSA-N -1 0 319.379 -0.505 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(CCO)C2CCC2)CC[C@@H]1C(=O)[O-] ZINC001603439527 1018185524 /nfs/dbraw/zinc/18/55/24/1018185524.db2.gz OYNXPYINASZWME-PWSUYJOCSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)C[C@H](CO)O1 ZINC001603454186 1018187209 /nfs/dbraw/zinc/18/72/09/1018187209.db2.gz QNGIBDXHJUJEGT-VHSXEESVSA-N -1 0 310.306 -0.845 20 0 DBADRM C[C@H]1CN(CCS(=O)(=O)CC(=O)[O-])CC2(CCOCC2)O1 ZINC001603462254 1018188841 /nfs/dbraw/zinc/18/88/41/1018188841.db2.gz ZKWOHVGTBGHWAU-NSHDSACASA-N -1 0 321.395 -0.244 20 0 DBADRM C[C@H]1CN(CCO)CCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603460446 1018188943 /nfs/dbraw/zinc/18/89/43/1018188943.db2.gz GCISUCAISLNILC-NSHDSACASA-N -1 0 323.349 -0.929 20 0 DBADRM C[C@H]1CN(c2nnnn2CCC(=O)N(C)C)CC[C@@H]1C(=O)[O-] ZINC001603471222 1018191338 /nfs/dbraw/zinc/19/13/38/1018191338.db2.gz ZPLMEWBVKITHAC-UWVGGRQHSA-N -1 0 310.358 -0.302 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N(CCC(=O)OC)CC(=O)[O-])C1 ZINC001603485715 1018191619 /nfs/dbraw/zinc/19/16/19/1018191619.db2.gz BGNRQBGMOMBENT-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM C[C@@H]1COCC[C@@H]1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001603474266 1018193882 /nfs/dbraw/zinc/19/38/82/1018193882.db2.gz SXFROGLPWKWQTF-MIMYLULJSA-N -1 0 317.367 -0.110 20 0 DBADRM C[C@H]1COCC[C@@H]1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001603472622 1018193940 /nfs/dbraw/zinc/19/39/40/1018193940.db2.gz CZGPJMUFPOPZFF-SRRSOLGSSA-N -1 0 319.379 -0.226 20 0 DBADRM C[C@H](C[C@@H]1CCOC1)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001603467111 1018194075 /nfs/dbraw/zinc/19/40/75/1018194075.db2.gz TXAGEQTUWZPFIZ-UTLUCORTSA-N -1 0 320.357 -0.050 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCS(=O)(=O)N(C)C ZINC001603501276 1018195767 /nfs/dbraw/zinc/19/57/67/1018195767.db2.gz YWVRXDMFTJTRSK-QMMMGPOBSA-N -1 0 316.401 -0.997 20 0 DBADRM CC[C@@](C)(O)CNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603508111 1018198179 /nfs/dbraw/zinc/19/81/79/1018198179.db2.gz GRJSSJPWIDBULM-QMTHXVAHSA-N -1 0 315.370 -0.088 20 0 DBADRM C[C@@H](CCO)CNS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001603494928 1018198830 /nfs/dbraw/zinc/19/88/30/1018198830.db2.gz DGEGPUXOFNLLOY-QMMMGPOBSA-N -1 0 312.355 -0.442 20 0 DBADRM CC[C@H](CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(=O)OC ZINC001603550440 1018200306 /nfs/dbraw/zinc/20/03/06/1018200306.db2.gz KYICPHLLSINSPI-ZJUUUORDSA-N -1 0 314.338 -0.375 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CC[C@@H](C(C)(C)O)C1)C(=O)[O-] ZINC001603550180 1018200928 /nfs/dbraw/zinc/20/09/28/1018200928.db2.gz ZZMJWRIBGYGVHE-NXEZZACHSA-N -1 0 300.355 -0.167 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CC[C@@H](C(C)(C)O)C1)C(=O)[O-] ZINC001603550182 1018203102 /nfs/dbraw/zinc/20/31/02/1018203102.db2.gz ZZMJWRIBGYGVHE-VHSXEESVSA-N -1 0 300.355 -0.167 20 0 DBADRM CC[C@@H](CO)c1nnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1C ZINC001603574474 1018204834 /nfs/dbraw/zinc/20/48/34/1018204834.db2.gz BUTGUMZCPJXJIU-IMSIIYSGSA-N -1 0 310.354 -0.162 20 0 DBADRM CC[C@@H](CNC(=O)NC[C@@]1(OCCO)CCOC1)C(=O)[O-] ZINC001603562239 1018205634 /nfs/dbraw/zinc/20/56/34/1018205634.db2.gz UMKCETWMWAKRPI-GWCFXTLKSA-N -1 0 304.343 -0.436 20 0 DBADRM CC(C)(CC(=O)[O-])C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC001603577849 1018205703 /nfs/dbraw/zinc/20/57/03/1018205703.db2.gz JZSLTTSIYXGISF-SECBINFHSA-N -1 0 314.338 -0.103 20 0 DBADRM CC[C@H](CNC(=O)N(CCO)CCN1CCOCC1)C(=O)[O-] ZINC001603556964 1018205843 /nfs/dbraw/zinc/20/58/43/1018205843.db2.gz OTFGXCOKCUYTQF-GFCCVEGCSA-N -1 0 317.386 -0.567 20 0 DBADRM CC(C)(CCO)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001603613341 1018215127 /nfs/dbraw/zinc/21/51/27/1018215127.db2.gz YGXHXASAHJXTLR-UHFFFAOYSA-N -1 0 303.359 -0.325 20 0 DBADRM CC[C@@H](CNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)[O-] ZINC001603552757 1018206611 /nfs/dbraw/zinc/20/66/11/1018206611.db2.gz MQPKCMDLLVNYMD-RTHLEPHNSA-N -1 0 311.338 -0.066 20 0 DBADRM CC[C@@H](Cn1nnnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)OC ZINC001603574822 1018207395 /nfs/dbraw/zinc/20/73/95/1018207395.db2.gz DKPHEJJESYYRMX-GBIKHYSHSA-N -1 0 311.342 -0.365 20 0 DBADRM CC(C)(CC(=O)[O-])C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O ZINC001603577852 1018207550 /nfs/dbraw/zinc/20/75/50/1018207550.db2.gz JZSLTTSIYXGISF-VIFPVBQESA-N -1 0 314.338 -0.103 20 0 DBADRM CC(C)(C)n1cc(C(=O)C(=O)N2CC[C@](O)(C(=O)[O-])C2)cn1 ZINC001603564615 1018208149 /nfs/dbraw/zinc/20/81/49/1018208149.db2.gz JPNUYHRYVXBINF-CQSZACIVSA-N -1 0 309.322 -0.131 20 0 DBADRM CC(C)(C)n1nnnc1CN1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001603574213 1018208235 /nfs/dbraw/zinc/20/82/35/1018208235.db2.gz LAYATWOINCHTCH-UWVGGRQHSA-N -1 0 322.369 -0.551 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1nccn1C ZINC001603607284 1018211090 /nfs/dbraw/zinc/21/10/90/1018211090.db2.gz DPLDTGQEGRRVCQ-SFYZADRCSA-N -1 0 316.329 -0.370 20 0 DBADRM CC[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)[C@H](O)C(F)(F)F ZINC001603582157 1018211207 /nfs/dbraw/zinc/21/12/07/1018211207.db2.gz FZEWPTFRGWQEOM-XRGYYRRGSA-N -1 0 310.232 -0.206 20 0 DBADRM C[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C1CC1 ZINC001603611551 1018213057 /nfs/dbraw/zinc/21/30/57/1018213057.db2.gz TUYQYUSEVVBWTI-SFYZADRCSA-N -1 0 302.342 -0.206 20 0 DBADRM CC[C@]1(O)CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001603617016 1018213765 /nfs/dbraw/zinc/21/37/65/1018213765.db2.gz NYDHXIBEKMRVLW-LBPRGKRZSA-N -1 0 306.384 -0.125 20 0 DBADRM CC[C@H]1CN(C(=O)c2cn(CC(=O)[O-])nn2)C[C@@]2(CCOC2)O1 ZINC001603624241 1018213843 /nfs/dbraw/zinc/21/38/43/1018213843.db2.gz CLEXQTHFKGBOJL-IINYFYTJSA-N -1 0 324.337 -0.227 20 0 DBADRM CCC[C@@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)S(N)(=O)=O ZINC001603627487 1018213936 /nfs/dbraw/zinc/21/39/36/1018213936.db2.gz BQRFMOPPLYNSTJ-VDDIYKPWSA-N -1 0 320.367 -0.997 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001603627532 1018214200 /nfs/dbraw/zinc/21/42/00/1018214200.db2.gz DHAFPCTVRZCSCK-UWVGGRQHSA-N -1 0 323.367 -0.167 20 0 DBADRM CC(C)(CNC(=O)C(=O)N1CCC[C@@]1(C)CO)CC(=O)[O-] ZINC001603618451 1018214855 /nfs/dbraw/zinc/21/48/55/1018214855.db2.gz FWKFZSCIJKWIAP-AWEZNQCLSA-N -1 0 300.355 -0.023 20 0 DBADRM CC(C)(CNC(=O)Cn1cc(C(=O)[O-])cn1)[C@@]1(O)CCOC1 ZINC001603627291 1018214966 /nfs/dbraw/zinc/21/49/66/1018214966.db2.gz KKUDUHYXGVZAAA-CQSZACIVSA-N -1 0 311.338 -0.125 20 0 DBADRM CC(C)(CO)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001603653798 1018217239 /nfs/dbraw/zinc/21/72/39/1018217239.db2.gz TWJGHFRHFVUYJP-LLVKDONJSA-N -1 0 322.317 -0.248 20 0 DBADRM CCCCS(=O)(=O)CC(=O)Nc1ncn(CC(=O)[O-])n1 ZINC001603652466 1018217272 /nfs/dbraw/zinc/21/72/72/1018217272.db2.gz HCSYJPCWWILHBS-UHFFFAOYSA-N -1 0 304.328 -0.484 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC001603660988 1018218969 /nfs/dbraw/zinc/21/89/69/1018218969.db2.gz RCPRFKXRKXAFEG-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C ZINC001603660376 1018219568 /nfs/dbraw/zinc/21/95/68/1018219568.db2.gz KLRFDKQIIFOJMJ-SNVBAGLBSA-N -1 0 315.370 -0.284 20 0 DBADRM CC(C)(CS(=O)(=O)NC[C@H]1CN2CCN1CC2)C(=O)[O-] ZINC001603660420 1018220850 /nfs/dbraw/zinc/22/08/50/1018220850.db2.gz SXKZLCIMCDYBBT-JTQLQIEISA-N -1 0 305.400 -0.984 20 0 DBADRM CC(C)(O)C1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1 ZINC001603689361 1018221182 /nfs/dbraw/zinc/22/11/82/1018221182.db2.gz CDLNQFNMMTXBQW-QFYYESIMSA-N -1 0 324.377 -0.071 20 0 DBADRM CC(C)(NS(=O)(=O)c1cc(Cl)cnc1N)[C@H](O)C(=O)[O-] ZINC001603686596 1018221659 /nfs/dbraw/zinc/22/16/59/1018221659.db2.gz UGULSPQLJIKOII-SSDOTTSWSA-N -1 0 323.758 -0.180 20 0 DBADRM CCCc1cnc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])s1 ZINC001603692890 1018221702 /nfs/dbraw/zinc/22/17/02/1018221702.db2.gz RASOZNJCHNSBHY-LBPRGKRZSA-N -1 0 315.351 -0.014 20 0 DBADRM CC(C)(O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC001603687447 1018221750 /nfs/dbraw/zinc/22/17/50/1018221750.db2.gz GYXNXSYHJJDTAR-WDEREUQCSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](O)[C@H]1CCCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001603698286 1018224817 /nfs/dbraw/zinc/22/48/17/1018224817.db2.gz XZSHHNAWDGOAPM-RKDXNWHRSA-N -1 0 324.366 -0.204 20 0 DBADRM CC(C)CC(=O)N1CCCC[C@@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC001603760933 1018235093 /nfs/dbraw/zinc/23/50/93/1018235093.db2.gz MKDYJFSPTIPHEZ-GHMZBOCLSA-N -1 0 300.355 -0.025 20 0 DBADRM CCCn1cc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c(C)n1 ZINC001603698581 1018226814 /nfs/dbraw/zinc/22/68/14/1018226814.db2.gz GSTXBMOEKRHFTN-UHFFFAOYSA-N -1 0 308.338 -0.029 20 0 DBADRM CC(C)[C@@H](C(=O)NC[C@H](F)C(=O)[O-])N1CCCS1(=O)=O ZINC001603708477 1018229132 /nfs/dbraw/zinc/22/91/32/1018229132.db2.gz CKNUOLXFXGAUGF-IUCAKERBSA-N -1 0 310.347 -0.415 20 0 DBADRM CCN(C(=O)c1cc(N2CCNC(=O)C2)ccn1)[C@H](C)C(=O)[O-] ZINC001603715446 1018230642 /nfs/dbraw/zinc/23/06/42/1018230642.db2.gz MDXANOVUSUVFSM-SNVBAGLBSA-N -1 0 320.349 -0.047 20 0 DBADRM CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603736711 1018232789 /nfs/dbraw/zinc/23/27/89/1018232789.db2.gz NMSFUTKMBMGQAF-SNVBAGLBSA-N -1 0 324.337 -0.066 20 0 DBADRM CCN(CC(=O)N(C)C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603723587 1018233936 /nfs/dbraw/zinc/23/39/36/1018233936.db2.gz APTVODODBDVUEP-JTQLQIEISA-N -1 0 313.354 -0.754 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603725428 1018233950 /nfs/dbraw/zinc/23/39/50/1018233950.db2.gz NSWIUXISERVHJA-UWVGGRQHSA-N -1 0 313.354 -0.707 20 0 DBADRM CCN1C[C@@H](NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1=O ZINC001603757364 1018235243 /nfs/dbraw/zinc/23/52/43/1018235243.db2.gz XZUXSCNVBOSZIG-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM CC1(C)[C@@H](O)CCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001603756012 1018236869 /nfs/dbraw/zinc/23/68/69/1018236869.db2.gz DXOJXEYPUPEAOG-VIFPVBQESA-N -1 0 324.366 -0.204 20 0 DBADRM CC(C)[C@@H]1CN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)CCS1 ZINC001603756473 1018237275 /nfs/dbraw/zinc/23/72/75/1018237275.db2.gz HORHNUIZHGDXCA-VIFPVBQESA-N -1 0 316.379 -0.756 20 0 DBADRM CCOC(=O)[C@H](CC)C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001603780740 1018239090 /nfs/dbraw/zinc/23/90/90/1018239090.db2.gz SSEFSDQSSPAPJA-YGRLFVJLSA-N -1 0 317.338 -0.096 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001603778502 1018239314 /nfs/dbraw/zinc/23/93/14/1018239314.db2.gz PKKCECHBIHZTIY-CQSZACIVSA-N -1 0 317.338 -0.096 20 0 DBADRM CCOC(=O)[C@@H](CC)C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001603780735 1018239339 /nfs/dbraw/zinc/23/93/39/1018239339.db2.gz SSEFSDQSSPAPJA-HZMBPMFUSA-N -1 0 317.338 -0.096 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)[C@H]1NC(=O)O[C@@H]1C)C(=O)[O-] ZINC001603777162 1018239715 /nfs/dbraw/zinc/23/97/15/1018239715.db2.gz QWMZYKGJYIFAFS-WEDXCCLWSA-N -1 0 316.310 -0.358 20 0 DBADRM CC(C)CC1(CNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)CCC1 ZINC001603783036 1018241458 /nfs/dbraw/zinc/24/14/58/1018241458.db2.gz RHTWQXBIPPCOBP-UHFFFAOYSA-N -1 0 312.366 -0.023 20 0 DBADRM CCOC(=O)C[C@H](CO)NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001603793086 1018242396 /nfs/dbraw/zinc/24/23/96/1018242396.db2.gz AWENOCBVSGRFTF-GMTAPVOTSA-N -1 0 317.338 -0.313 20 0 DBADRM CCOC(=O)C1(CNC(=O)c2cn(CC(=O)[O-])nn2)CCC1 ZINC001603786452 1018242855 /nfs/dbraw/zinc/24/28/55/1018242855.db2.gz FFTXRKHXDDBJSZ-UHFFFAOYSA-N -1 0 310.310 -0.174 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)c2cnc(C(=O)[O-])cn2)CCO1 ZINC001603792153 1018243611 /nfs/dbraw/zinc/24/36/11/1018243611.db2.gz IPOLYVLJUVZQJX-SNVBAGLBSA-N -1 0 309.278 -0.421 20 0 DBADRM CC(C)CCC(=O)NCC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001603787779 1018243835 /nfs/dbraw/zinc/24/38/35/1018243835.db2.gz SKQPIPONKATMJY-WDEREUQCSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@@]1(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO[C@@H]1C1CC1 ZINC001603813357 1018244251 /nfs/dbraw/zinc/24/42/51/1018244251.db2.gz HRJSCQAEHHEERJ-ZWNOBZJWSA-N -1 0 318.341 -0.468 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CC1=O ZINC001603814542 1018245527 /nfs/dbraw/zinc/24/55/27/1018245527.db2.gz JEQYVVUIXADNRD-QWRGUYRKSA-N -1 0 323.353 -0.648 20 0 DBADRM C[C@@]1(CO)C[C@H](O)CN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001603808652 1018246437 /nfs/dbraw/zinc/24/64/37/1018246437.db2.gz RHIQYGNWFYDNMY-XPTSAGLGSA-N -1 0 319.321 -0.470 20 0 DBADRM C[C@@]1(CNS(=O)(=O)c2cccnc2-c2nnn[n-]2)CCOC1 ZINC001603808312 1018246521 /nfs/dbraw/zinc/24/65/21/1018246521.db2.gz ZUEJGNLTMXDFLO-LBPRGKRZSA-N -1 0 324.366 -0.033 20 0 DBADRM CC(C)CN(CCC(=O)[O-])C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001603809603 1018246604 /nfs/dbraw/zinc/24/66/04/1018246604.db2.gz ZMQJMCPFSZERHQ-NQBHXWOUSA-N -1 0 301.339 -0.642 20 0 DBADRM CC1(CO)CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001603807379 1018248194 /nfs/dbraw/zinc/24/81/94/1018248194.db2.gz CMAKQKOIUNWASX-UHFFFAOYSA-N -1 0 306.330 -0.921 20 0 DBADRM CCO[C@H]1COCC[C@@H]1NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603829019 1018249119 /nfs/dbraw/zinc/24/91/19/1018249119.db2.gz NNMKPTGMSXHHSQ-RYUDHWBXSA-N -1 0 324.333 -0.143 20 0 DBADRM CCO[C@H](C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O)[C@@H]1CCOC1 ZINC001603824792 1018250490 /nfs/dbraw/zinc/25/04/90/1018250490.db2.gz ZKWRDQOVLUNYEQ-FOGDFJRCSA-N -1 0 315.322 -0.343 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1ccc[n+]([O-])c1)C(=O)[O-] ZINC001603840885 1018252922 /nfs/dbraw/zinc/25/29/22/1018252922.db2.gz HUVUNNPNPOVFGC-NSHDSACASA-N -1 0 309.322 -0.335 20 0 DBADRM CCOCCO[C@H](C)C(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001603841262 1018253706 /nfs/dbraw/zinc/25/37/06/1018253706.db2.gz FKLVCBYTHGCFPR-BXUZGUMPSA-N -1 0 319.354 -0.243 20 0 DBADRM CCON(C)C(=O)CNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001603843407 1018254105 /nfs/dbraw/zinc/25/41/05/1018254105.db2.gz RIWFMZOWFZVJNF-UHFFFAOYSA-N -1 0 302.327 -0.216 20 0 DBADRM CC(C)Cn1cc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])cn1 ZINC001603859699 1018254998 /nfs/dbraw/zinc/25/49/98/1018254998.db2.gz LBBHGMVITBYKSY-JTQLQIEISA-N -1 0 312.326 -0.571 20 0 DBADRM CC(C)N1CCC[C@H](OC(=O)Cn2cc(C(=O)[O-])nn2)C1=O ZINC001603894578 1018256429 /nfs/dbraw/zinc/25/64/29/1018256429.db2.gz WNWMKZPDGFKMJP-JTQLQIEISA-N -1 0 310.310 -0.081 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001603894576 1018257333 /nfs/dbraw/zinc/25/73/33/1018257333.db2.gz RHZPHEQTMIFWRU-SCZZXKLOSA-N -1 0 306.384 -0.069 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001603884979 1018257338 /nfs/dbraw/zinc/25/73/38/1018257338.db2.gz BVYZIMFZXCOZSE-CBAPKCEASA-N -1 0 306.340 -0.503 20 0 DBADRM CC(C)N(C[C@@H](O)CO)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001603876028 1018257398 /nfs/dbraw/zinc/25/73/98/1018257398.db2.gz QQOXCIVYULZXGF-SNVBAGLBSA-N -1 0 309.384 -0.365 20 0 DBADRM CC(C)N(CCC(=O)[O-])S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001603880721 1018257787 /nfs/dbraw/zinc/25/77/87/1018257787.db2.gz XNUJYLRLBLFDEL-UHFFFAOYSA-N -1 0 319.339 -0.640 20 0 DBADRM CC(C)N1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])nn2)C1 ZINC001603886490 1018258221 /nfs/dbraw/zinc/25/82/21/1018258221.db2.gz ABNFUWCKHPNCNB-NEPJUHHUSA-N -1 0 307.354 -0.120 20 0 DBADRM CC(C)N(C(=O)C(=O)NCCC(=O)NCCC(=O)[O-])C1CC1 ZINC001603866436 1018258882 /nfs/dbraw/zinc/25/88/82/1018258882.db2.gz PMPPZMTZBOSQGL-UHFFFAOYSA-N -1 0 313.354 -0.517 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)[C@H](OC)C(=O)[O-])CC1 ZINC001603894955 1018259572 /nfs/dbraw/zinc/25/95/72/1018259572.db2.gz YZVMXYWMUFHHHT-VIFPVBQESA-N -1 0 308.356 -0.984 20 0 DBADRM CC(C)NS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001603904835 1018259795 /nfs/dbraw/zinc/25/97/95/1018259795.db2.gz HVLYJOAQQHCWRR-VHSXEESVSA-N -1 0 319.383 -0.906 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001603899513 1018259977 /nfs/dbraw/zinc/25/99/77/1018259977.db2.gz FVFAAAWDHJCSFE-SECBINFHSA-N -1 0 321.345 -0.721 20 0 DBADRM CC(C)NC(=O)[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001603900509 1018260401 /nfs/dbraw/zinc/26/04/01/1018260401.db2.gz FUJOQLCXJMSSNZ-JTQLQIEISA-N -1 0 323.353 -0.261 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001603908471 1018260468 /nfs/dbraw/zinc/26/04/68/1018260468.db2.gz UOWYTWHJGYKNKW-BBBLOLIVSA-N -1 0 314.338 -0.330 20 0 DBADRM C[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC1 ZINC001603898225 1018260552 /nfs/dbraw/zinc/26/05/52/1018260552.db2.gz NKLPOGDONKNZOS-QMMMGPOBSA-N -1 0 305.342 -0.120 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001603899209 1018260775 /nfs/dbraw/zinc/26/07/75/1018260775.db2.gz YYTWPKBYICVMLB-TXEJJXNPSA-N -1 0 311.382 -0.234 20 0 DBADRM CC(C)OCC(=O)NC[C@H](CO)Nc1ncc(C(=O)[O-])cn1 ZINC001603916746 1018261980 /nfs/dbraw/zinc/26/19/80/1018261980.db2.gz MNNNCHKGLUWNOA-SNVBAGLBSA-N -1 0 312.326 -0.511 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001603916397 1018262994 /nfs/dbraw/zinc/26/29/94/1018262994.db2.gz GDGOYPHPUXZHOE-BDAKNGLRSA-N -1 0 315.326 -0.689 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001603934977 1018267064 /nfs/dbraw/zinc/26/70/64/1018267064.db2.gz KUBXFQYNLCEZTO-PEXQALLHSA-N -1 0 314.338 -0.234 20 0 DBADRM C[C@@H]1COCCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001603946492 1018267644 /nfs/dbraw/zinc/26/76/44/1018267644.db2.gz CGRKZNASCICQQY-VIFPVBQESA-N -1 0 324.366 -0.081 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCCOCC(=O)[O-] ZINC001603966551 1018269989 /nfs/dbraw/zinc/26/99/89/1018269989.db2.gz URFFPULMMNRUAF-LLVKDONJSA-N -1 0 322.383 -0.690 20 0 DBADRM CCC(=O)N1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001603968019 1018271347 /nfs/dbraw/zinc/27/13/47/1018271347.db2.gz SBDPWUPVKGAVSL-RKDXNWHRSA-N -1 0 302.342 -0.110 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001603966479 1018272348 /nfs/dbraw/zinc/27/23/48/1018272348.db2.gz IQRQZDIVJFPITA-GXSJLCMTSA-N -1 0 304.368 -0.222 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)CN1CCCC1=O)C(=O)[O-] ZINC001603973288 1018274036 /nfs/dbraw/zinc/27/40/36/1018274036.db2.gz GFCXFIZDFPLRDO-LBPRGKRZSA-N -1 0 300.311 -0.623 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC[C@H](OCCO)C1)C(=O)[O-] ZINC001603972862 1018274100 /nfs/dbraw/zinc/27/41/00/1018274100.db2.gz NOGZXNFIKKCNFT-AAEUAGOBSA-N -1 0 302.371 -0.315 20 0 DBADRM CCc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])[nH]n1 ZINC001603968237 1018275353 /nfs/dbraw/zinc/27/53/53/1018275353.db2.gz VMJRZEKTZASJEJ-VIFPVBQESA-N -1 0 301.324 -0.704 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)COC1CCOCC1)C(=O)[O-] ZINC001603974264 1018275728 /nfs/dbraw/zinc/27/57/28/1018275728.db2.gz YEPLYGVDVVBCDN-ZDUSSCGKSA-N -1 0 317.338 -0.049 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)c1ccc(C(N)=O)o1)C(=O)[O-] ZINC001603973792 1018275970 /nfs/dbraw/zinc/27/59/70/1018275970.db2.gz HBBQRZPNHUPEBT-JTQLQIEISA-N -1 0 312.278 -0.239 20 0 DBADRM CCn1nnnc1N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001604023804 1018278322 /nfs/dbraw/zinc/27/83/22/1018278322.db2.gz DSVOLXOPEVKDFN-XQVHRTOBSA-N -1 0 309.326 -0.217 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)CS(C)(=O)=O)c1ccccn1 ZINC001604078791 1018290156 /nfs/dbraw/zinc/29/01/56/1018290156.db2.gz RHLKQGBLQCQVHP-GFCCVEGCSA-N -1 0 300.336 -0.068 20 0 DBADRM CN(C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1CCC(CO)CC1 ZINC001604024609 1018280215 /nfs/dbraw/zinc/28/02/15/1018280215.db2.gz UHILDRZFZTUYNQ-XKVACCQBSA-N -1 0 312.366 -0.025 20 0 DBADRM CCn1nccc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001604024044 1018280449 /nfs/dbraw/zinc/28/04/49/1018280449.db2.gz GWLSCZOXDMLFLN-SECBINFHSA-N -1 0 301.324 -0.773 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)C2(C(=O)[O-])CCOCC2)n1 ZINC001604040537 1018282478 /nfs/dbraw/zinc/28/24/78/1018282478.db2.gz FJCYXRRHKWTUTH-UHFFFAOYSA-N -1 0 324.337 -0.209 20 0 DBADRM CC(C)n1ccc(CC(=O)N[C@H](Cn2cncn2)C(=O)[O-])n1 ZINC001604037401 1018282733 /nfs/dbraw/zinc/28/27/33/1018282733.db2.gz XFUJOWCFIYLZLT-LLVKDONJSA-N -1 0 306.326 -0.132 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001604045316 1018284409 /nfs/dbraw/zinc/28/44/09/1018284409.db2.gz ZJFUKZAIHZTSAR-RKDXNWHRSA-N -1 0 322.348 -0.009 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)OC ZINC001604062615 1018287539 /nfs/dbraw/zinc/28/75/39/1018287539.db2.gz SSUHZLBGVKYOGD-ZCFIWIBFSA-N -1 0 315.311 -0.310 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC001604058851 1018288598 /nfs/dbraw/zinc/28/85/98/1018288598.db2.gz HNGFFYWCBAUVGH-MXQLGCADSA-N -1 0 320.367 -0.311 20 0 DBADRM C[C@@H](CC(=O)NCC1(CC(=O)[O-])CCOCC1)NC(N)=O ZINC001604068989 1018290024 /nfs/dbraw/zinc/29/00/24/1018290024.db2.gz XPAPVYAFHGOBSI-VIFPVBQESA-N -1 0 301.343 -0.179 20 0 DBADRM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001604067970 1018291078 /nfs/dbraw/zinc/29/10/78/1018291078.db2.gz JOJSYNYIAPTMBD-ONGXEEELSA-N -1 0 322.365 -0.078 20 0 DBADRM CCC(O)(CC)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604065926 1018291755 /nfs/dbraw/zinc/29/17/55/1018291755.db2.gz DJMJVZDSGRKICX-UHFFFAOYSA-N -1 0 309.330 -0.371 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC001604104638 1018294547 /nfs/dbraw/zinc/29/45/47/1018294547.db2.gz UTCFCBMSXYKVEO-QMMMGPOBSA-N -1 0 307.372 -0.906 20 0 DBADRM CN(C)c1n[nH]c(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001604092610 1018294658 /nfs/dbraw/zinc/29/46/58/1018294658.db2.gz QXMJCJWBTWNQAV-SSDOTTSWSA-N -1 0 310.314 -0.868 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001604104834 1018294814 /nfs/dbraw/zinc/29/48/14/1018294814.db2.gz CXRYYVJZYHBDPS-ZWNOBZJWSA-N -1 0 319.379 -0.097 20 0 DBADRM CN(CC(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001604102202 1018294976 /nfs/dbraw/zinc/29/49/76/1018294976.db2.gz RDNBJKLSTMCNLC-SNVBAGLBSA-N -1 0 320.411 -0.278 20 0 DBADRM CCC1(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)COC1 ZINC001604086547 1018295271 /nfs/dbraw/zinc/29/52/71/1018295271.db2.gz OAJGMROPDGKYPP-UHFFFAOYSA-N -1 0 321.341 -0.897 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001604104831 1018295429 /nfs/dbraw/zinc/29/54/29/1018295429.db2.gz CXRYYVJZYHBDPS-GXFFZTMASA-N -1 0 319.379 -0.097 20 0 DBADRM CC[C@@]1(CO)CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001604091222 1018295505 /nfs/dbraw/zinc/29/55/05/1018295505.db2.gz XTRPAELCYVGCCR-LBPRGKRZSA-N -1 0 306.330 -0.778 20 0 DBADRM CC[C@H]1C[C@H](C)CN1c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604097640 1018295788 /nfs/dbraw/zinc/29/57/88/1018295788.db2.gz REOUGPRKXXACCB-YUMQZZPRSA-N -1 0 305.342 -0.122 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cn1 ZINC001604091041 1018295946 /nfs/dbraw/zinc/29/59/46/1018295946.db2.gz QENMKYCBSYZEJO-NSHDSACASA-N -1 0 303.340 -0.739 20 0 DBADRM CN(CC(=O)NC1CC1)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001604102508 1018296032 /nfs/dbraw/zinc/29/60/32/1018296032.db2.gz ZWIGZCHCVNRNJH-UHFFFAOYSA-N -1 0 307.306 -0.717 20 0 DBADRM CN(CC(=O)[O-])Cc1cn(Cc2nnc3n2CCCC3)nn1 ZINC001604113819 1018297279 /nfs/dbraw/zinc/29/72/79/1018297279.db2.gz GDOKHWLARLSKQO-UHFFFAOYSA-N -1 0 305.342 -0.229 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001604124969 1018300262 /nfs/dbraw/zinc/30/02/62/1018300262.db2.gz HIYVTQAMNWWAFU-IWSPIJDZSA-N -1 0 321.337 -0.833 20 0 DBADRM C[C@@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1COCCO1 ZINC001604141238 1018301839 /nfs/dbraw/zinc/30/18/39/1018301839.db2.gz GTPRVTZIWFKNJC-GXSJLCMTSA-N -1 0 324.337 -0.103 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1cccc2c1CCNC2=O ZINC001604133897 1018303010 /nfs/dbraw/zinc/30/30/10/1018303010.db2.gz MUGIBUSTBLEQPO-UHFFFAOYSA-N -1 0 319.317 -0.156 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001604125649 1018303049 /nfs/dbraw/zinc/30/30/49/1018303049.db2.gz XDNLRJIXUODSOE-IUCAKERBSA-N -1 0 321.337 -0.619 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)NC[C@H](C)N(C)c1ncc(C(=O)[O-])cn1 ZINC001604125227 1018303355 /nfs/dbraw/zinc/30/33/55/1018303355.db2.gz LWYQRUFESWOHEJ-IUCAKERBSA-N -1 0 323.353 -0.373 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H]1COC(=O)N1 ZINC001604141442 1018303635 /nfs/dbraw/zinc/30/36/35/1018303635.db2.gz HROVRYGIIJGINS-YUMQZZPRSA-N -1 0 323.309 -0.988 20 0 DBADRM C[C@@]1(NC(=O)C[C@H]2CCC(=O)N2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500269477 1018304096 /nfs/dbraw/zinc/30/40/96/1018304096.db2.gz RUFDUKSJPOUQCK-YMTOWFKASA-N -1 0 322.369 -0.740 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@@H]2CCNC(=O)[C@H]21)C(=O)[O-] ZINC001604206395 1018321774 /nfs/dbraw/zinc/32/17/74/1018321774.db2.gz JJROWYINEUUBOW-BBBLOLIVSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@H](CN1CCCC1=O)NC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001604164482 1018308574 /nfs/dbraw/zinc/30/85/74/1018308574.db2.gz BHDCCQNPHMZYCU-OUAUKWLOSA-N -1 0 313.354 -0.526 20 0 DBADRM C[C@@H](CN1CCOCC1)C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001604166836 1018308793 /nfs/dbraw/zinc/30/87/93/1018308793.db2.gz HPBFLOFLRGWZNA-FZMZJTMJSA-N -1 0 300.355 -0.295 20 0 DBADRM C[C@H](CS(=O)(=O)NCCCCS(C)(=O)=O)C(=O)[O-] ZINC001604210646 1018322058 /nfs/dbraw/zinc/32/20/58/1018322058.db2.gz YNEVDAGNHLWNPY-MRVPVSSYSA-N -1 0 301.386 -0.549 20 0 DBADRM C[C@H](CN1CCCC1=O)NC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001604164481 1018309190 /nfs/dbraw/zinc/30/91/90/1018309190.db2.gz BHDCCQNPHMZYCU-MXWKQRLJSA-N -1 0 313.354 -0.526 20 0 DBADRM C[C@@H](CN1CCCC1=O)NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001604165982 1018309716 /nfs/dbraw/zinc/30/97/16/1018309716.db2.gz YKYQNELUZVIJEI-VIFPVBQESA-N -1 0 304.368 -0.076 20 0 DBADRM C[C@@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)C(C)(C)C(N)=O ZINC001604158971 1018309780 /nfs/dbraw/zinc/30/97/80/1018309780.db2.gz GYBAXWMBNQHCDA-QMMMGPOBSA-N -1 0 323.353 -0.373 20 0 DBADRM C[C@@H](CN1CC[C@]2(CC(C(=O)[O-])=NO2)C1)CS(C)(=O)=O ZINC001604165162 1018309956 /nfs/dbraw/zinc/30/99/56/1018309956.db2.gz MJVHMXDJIJAHGW-CABZTGNLSA-N -1 0 304.368 -0.028 20 0 DBADRM C[C@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001604159490 1018310423 /nfs/dbraw/zinc/31/04/23/1018310423.db2.gz UVGHTTQAESLGQY-BDAKNGLRSA-N -1 0 321.337 -0.606 20 0 DBADRM CN(CCCCO)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001604168370 1018310624 /nfs/dbraw/zinc/31/06/24/1018310624.db2.gz HOTVHWDGPNTBPI-LLVKDONJSA-N -1 0 315.370 -0.134 20 0 DBADRM C[C@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)[C@H](C)NC(N)=O ZINC001604159452 1018310663 /nfs/dbraw/zinc/31/06/63/1018310663.db2.gz SWAOCUNCJXZCPC-SFYZADRCSA-N -1 0 324.341 -0.828 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-])S(C)(=O)=O ZINC001604169969 1018310715 /nfs/dbraw/zinc/31/07/15/1018310715.db2.gz XSQKHKYVJFCLQW-BDAKNGLRSA-N -1 0 320.367 -0.999 20 0 DBADRM C[C@H](CNC(=O)[C@@]1(C)CCNC1=O)Nc1ncc(C(=O)[O-])cn1 ZINC001604172681 1018311492 /nfs/dbraw/zinc/31/14/92/1018311492.db2.gz AOCNWDVKMGDTGX-CLAHSXSESA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@H](CNC(=O)C(C)(C)C(N)=O)N(C)c1ncc(C(=O)[O-])cn1 ZINC001604171630 1018312175 /nfs/dbraw/zinc/31/21/75/1018312175.db2.gz BPWDOUXXMVOCSF-MRVPVSSYSA-N -1 0 323.353 -0.373 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCOC1)CNc1ccnc(C(=O)[O-])n1 ZINC001604173184 1018312215 /nfs/dbraw/zinc/31/22/15/1018312215.db2.gz NTIZQZQCAQOFLE-ZJUUUORDSA-N -1 0 308.338 -0.203 20 0 DBADRM CN(CCN1CCOCC1)C(=O)C1(C(=O)[O-])CCOCC1 ZINC001604175150 1018312810 /nfs/dbraw/zinc/31/28/10/1018312810.db2.gz UDHMQGJBHYOYMY-UHFFFAOYSA-N -1 0 300.355 -0.342 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1COCCO1)CNc1ncc(C(=O)[O-])cn1 ZINC001604172755 1018313030 /nfs/dbraw/zinc/31/30/30/1018313030.db2.gz CXZYJKDTZXBUSP-GXSJLCMTSA-N -1 0 324.337 -0.246 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001604190902 1018313745 /nfs/dbraw/zinc/31/37/45/1018313745.db2.gz KQIOZGVJJUMRPL-UHFFFAOYSA-N -1 0 304.324 -0.951 20 0 DBADRM CN(CCn1cccn1)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001604181455 1018314459 /nfs/dbraw/zinc/31/44/59/1018314459.db2.gz RAYPFEHABBAZCJ-UHFFFAOYSA-N -1 0 320.309 -0.739 20 0 DBADRM C[C@@H](CNC(=O)c1ncn(C)n1)N(C)c1ccnc(C(=O)[O-])n1 ZINC001604183975 1018314903 /nfs/dbraw/zinc/31/49/03/1018314903.db2.gz QELNFRPOPJEVJD-QMMMGPOBSA-N -1 0 319.325 -0.442 20 0 DBADRM C[C@@](CO)(NC(=O)c1cccn(CC(F)(F)F)c1=O)C(=O)[O-] ZINC001604193125 1018316243 /nfs/dbraw/zinc/31/62/43/1018316243.db2.gz DYOYTZFYXZEYJB-NSHDSACASA-N -1 0 322.239 -0.024 20 0 DBADRM CN(Cc1ccn(C)n1)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604196657 1018316389 /nfs/dbraw/zinc/31/63/89/1018316389.db2.gz BTMPMCXTDBQYDH-LLVKDONJSA-N -1 0 308.338 -0.298 20 0 DBADRM CN1C(=O)C[C@H](C(=O)OCC(=O)NCC(=O)[O-])c2ccccc21 ZINC001604197138 1018316400 /nfs/dbraw/zinc/31/64/00/1018316400.db2.gz ZKGAHLQLGGXYPR-JTQLQIEISA-N -1 0 320.301 -0.119 20 0 DBADRM CC(CO)(CO)C(=O)OCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001604192643 1018316876 /nfs/dbraw/zinc/31/68/76/1018316876.db2.gz YGDMIVSUEOHPOA-UHFFFAOYSA-N -1 0 312.278 -0.748 20 0 DBADRM CN1C(=O)NCC12CCN(C(=O)[C@H]1CC(C(=O)[O-])=NO1)CC2 ZINC001604196782 1018317048 /nfs/dbraw/zinc/31/70/48/1018317048.db2.gz PLLDUIDGNFGDBD-SECBINFHSA-N -1 0 310.310 -0.768 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)C2(C(=O)[O-])CCSCC2)C1=O ZINC001604196635 1018317350 /nfs/dbraw/zinc/31/73/50/1018317350.db2.gz QYODWKIHIKESLA-MRVPVSSYSA-N -1 0 314.363 -0.152 20 0 DBADRM C[C@@](CO)(NC(=O)CCn1nnc2ccccc2c1=O)C(=O)[O-] ZINC001604191388 1018318071 /nfs/dbraw/zinc/31/80/71/1018318071.db2.gz ODAXHTGMQAEURU-AWEZNQCLSA-N -1 0 320.305 -0.867 20 0 DBADRM CN1C(=O)CN(C(=O)c2cn(CC(=O)[O-])nn2)c2ccccc21 ZINC001604195493 1018318223 /nfs/dbraw/zinc/31/82/23/1018318223.db2.gz DAIKZAANINPOEU-UHFFFAOYSA-N -1 0 315.289 -0.014 20 0 DBADRM CN(Cc1nnc2ccccn21)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001604195746 1018318243 /nfs/dbraw/zinc/31/82/43/1018318243.db2.gz VDEXSSYHBYQDMP-SNVBAGLBSA-N -1 0 303.322 -0.153 20 0 DBADRM CCCN(CC)C(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001604200288 1018318869 /nfs/dbraw/zinc/31/88/69/1018318869.db2.gz BLGIFHNRMKIQGB-UHFFFAOYSA-N -1 0 321.341 -0.222 20 0 DBADRM CN1C[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])NC1=O ZINC001604201397 1018320422 /nfs/dbraw/zinc/32/04/22/1018320422.db2.gz SGYCNKGLTULSOZ-WDEREUQCSA-N -1 0 307.306 -0.472 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CCC1=O ZINC001604200696 1018320672 /nfs/dbraw/zinc/32/06/72/1018320672.db2.gz GBKCZBMOQOZWPQ-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)C[C@@H]1CCC2(CCC2)O1)C(=O)[O-] ZINC001604198917 1018321134 /nfs/dbraw/zinc/32/11/34/1018321134.db2.gz NXLDELDRFYJJTR-ONGXEEELSA-N -1 0 307.368 -0.157 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC001604207116 1018322252 /nfs/dbraw/zinc/32/22/52/1018322252.db2.gz XKJDNOXVZAGBFU-ZCFIWIBFSA-N -1 0 318.273 -0.299 20 0 DBADRM CN1CC[C@@H](n2cc(CN3CCC(C(=O)[O-])CC3)nn2)C1=O ZINC001604208323 1018323720 /nfs/dbraw/zinc/32/37/20/1018323720.db2.gz KHEYKKSPBOKUGF-GFCCVEGCSA-N -1 0 307.354 -0.022 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001604211856 1018324663 /nfs/dbraw/zinc/32/46/63/1018324663.db2.gz YFNZXGYCLATWCK-GBIKHYSHSA-N -1 0 319.379 -0.383 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001604215619 1018326036 /nfs/dbraw/zinc/32/60/36/1018326036.db2.gz VZVLDAFPGAUYHQ-FHZGZLOMSA-N -1 0 300.336 -0.570 20 0 DBADRM CN1CCN(C(=O)C2(CC(=O)[O-])CCOCC2)C[C@@H]1CO ZINC001604221299 1018328063 /nfs/dbraw/zinc/32/80/63/1018328063.db2.gz PJNJXKMWXJEQPW-LLVKDONJSA-N -1 0 300.355 -0.607 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1(C(=O)[O-])CC=CC1 ZINC001604239962 1018328665 /nfs/dbraw/zinc/32/86/65/1018328665.db2.gz JOIBKVFSXZZBMK-JTQLQIEISA-N -1 0 306.322 -0.396 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001604227405 1018328746 /nfs/dbraw/zinc/32/87/46/1018328746.db2.gz GMFKTQWOORHZAG-GHMZBOCLSA-N -1 0 306.384 -0.557 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001604231662 1018329041 /nfs/dbraw/zinc/32/90/41/1018329041.db2.gz ZSHSDEDACDLWGJ-ZJUUUORDSA-N -1 0 307.354 -0.172 20 0 DBADRM CNC(=O)CCCCC(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001604237119 1018329361 /nfs/dbraw/zinc/32/93/61/1018329361.db2.gz VUJCOOWJXLMRAK-CQSZACIVSA-N -1 0 316.354 -0.379 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)[C@H](O)c1ccccn1)C(=O)[O-] ZINC001604241084 1018329504 /nfs/dbraw/zinc/32/95/04/1018329504.db2.gz AFVJJOCWQQIJSU-BXUZGUMPSA-N -1 0 304.306 -0.029 20 0 DBADRM CN1CCOC[C@]1(CO)CNC(=O)NCCCCC(=O)[O-] ZINC001604227337 1018330224 /nfs/dbraw/zinc/33/02/24/1018330224.db2.gz BGJMRBUAFMQIQS-CYBMUJFWSA-N -1 0 303.359 -0.766 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)[C@H](O)c1ccccn1)C(=O)[O-] ZINC001604241088 1018330647 /nfs/dbraw/zinc/33/06/47/1018330647.db2.gz AFVJJOCWQQIJSU-RISCZKNCSA-N -1 0 304.306 -0.029 20 0 DBADRM C[C@@](Cn1cccn1)(NCc1cnc(C(=O)[O-])cn1)C(N)=O ZINC001604244514 1018331607 /nfs/dbraw/zinc/33/16/07/1018331607.db2.gz NCYKYYTUFHDGEJ-ZDUSSCGKSA-N -1 0 304.310 -0.595 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001604248494 1018332304 /nfs/dbraw/zinc/33/23/04/1018332304.db2.gz FHOVZTKJTNRFEZ-ZJUUUORDSA-N -1 0 309.326 -0.894 20 0 DBADRM CNS(=O)(=O)c1ccc(CNC(=O)[C@@H](OC)C(=O)[O-])s1 ZINC001604248538 1018332374 /nfs/dbraw/zinc/33/23/74/1018332374.db2.gz DMGDBGMQIZOBDZ-MRVPVSSYSA-N -1 0 322.364 -0.628 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N(C)CCC(=O)[O-])CC1 ZINC001604249875 1018334114 /nfs/dbraw/zinc/33/41/14/1018334114.db2.gz SYGYSQMHIKZJNW-UHFFFAOYSA-N -1 0 307.372 -0.904 20 0 DBADRM CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)C(=O)[O-])c1 ZINC001604249433 1018334630 /nfs/dbraw/zinc/33/46/30/1018334630.db2.gz ZYSSZUBQNLDDNY-UHFFFAOYSA-N -1 0 319.266 -0.456 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001604249363 1018334957 /nfs/dbraw/zinc/33/49/57/1018334957.db2.gz JFRGVKIVAAZXSL-SSDOTTSWSA-N -1 0 316.339 -0.738 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1 ZINC001604249967 1018335158 /nfs/dbraw/zinc/33/51/58/1018335158.db2.gz VOSLDOKXCMXQRN-PELKAZGASA-N -1 0 304.368 -0.363 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(Cc2cc(C(=O)[O-])nn2C)C1 ZINC001604249734 1018335381 /nfs/dbraw/zinc/33/53/81/1018335381.db2.gz QFAUMEFQIJAQPA-SNVBAGLBSA-N -1 0 316.383 -0.368 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)c1nc[nH]n1 ZINC001604260988 1018336545 /nfs/dbraw/zinc/33/65/45/1018336545.db2.gz HOYFDNKPKVAVRY-LURJTMIESA-N -1 0 306.282 -0.343 20 0 DBADRM C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1nnc2n1CCC2 ZINC001604261421 1018337126 /nfs/dbraw/zinc/33/71/26/1018337126.db2.gz MLPGVCAYURAQQS-CIUDSAMLSA-N -1 0 321.337 -0.619 20 0 DBADRM COC(=O)[C@H](CC1CC1)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001604267444 1018337295 /nfs/dbraw/zinc/33/72/95/1018337295.db2.gz HPHZYODBOPYITH-UWVGGRQHSA-N -1 0 320.367 -0.289 20 0 DBADRM COC(=O)[C@@H](COC(C)C)N(C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC001604267310 1018337827 /nfs/dbraw/zinc/33/78/27/1018337827.db2.gz GDNROGCVEUWAGK-WDEREUQCSA-N -1 0 316.354 -0.430 20 0 DBADRM COC(=O)[C@@]1(N2CCN(C(=O)[C@H](C)C(=O)[O-])CC2)CCOC1 ZINC001604275470 1018340532 /nfs/dbraw/zinc/34/05/32/1018340532.db2.gz BOHPWOCPLQHVOI-IINYFYTJSA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)C1(C(=O)[O-])CC=CC1 ZINC001604268926 1018341151 /nfs/dbraw/zinc/34/11/51/1018341151.db2.gz ZHNQCOKEJPNVQD-VIFPVBQESA-N -1 0 308.294 -0.643 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)Cn1cncn1)C[C@@H]2C(=O)[O-] ZINC001604283217 1018343182 /nfs/dbraw/zinc/34/31/82/1018343182.db2.gz DYEIJMGERRMTCQ-OPASDULOSA-N -1 0 322.321 -0.610 20 0 DBADRM C[C@@H](NC(=O)Cn1cncn1)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604277968 1018343340 /nfs/dbraw/zinc/34/33/40/1018343340.db2.gz UMHZQQSFVHTMPZ-RKDXNWHRSA-N -1 0 319.325 -0.807 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H](C)NC(=O)Cn1cncn1 ZINC001604277965 1018343705 /nfs/dbraw/zinc/34/37/05/1018343705.db2.gz UMHZQQSFVHTMPZ-BDAKNGLRSA-N -1 0 319.325 -0.807 20 0 DBADRM C[C@@H](NC(=O)NCCOCC(=O)[O-])C1(S(C)(=O)=O)CC1 ZINC001604288415 1018343889 /nfs/dbraw/zinc/34/38/89/1018343889.db2.gz ZYMCOWCAOXKFRM-MRVPVSSYSA-N -1 0 308.356 -0.648 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N(OC)[C@@H](C)C(=O)[O-])C1=O ZINC001604291123 1018344044 /nfs/dbraw/zinc/34/40/44/1018344044.db2.gz VEVDCJIBNFEDPR-IUCAKERBSA-N -1 0 316.310 -0.739 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)CNC(C)=O)C[C@H]2C(=O)[O-] ZINC001604285857 1018344349 /nfs/dbraw/zinc/34/43/49/1018344349.db2.gz ZUNFKMJNWYQCAZ-XIRUVYRFSA-N -1 0 312.322 -0.765 20 0 DBADRM COC(=O)C[C@H](C)CC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001604299896 1018345161 /nfs/dbraw/zinc/34/51/61/1018345161.db2.gz YPBSKKGLGXMAHR-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM COC(=O)[C@H]1CCN1C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001604293036 1018345181 /nfs/dbraw/zinc/34/51/81/1018345181.db2.gz PXGHJDYKGQBOFX-MRVPVSSYSA-N -1 0 319.335 -0.960 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(C)(C)C(=O)[O-])C[C@H]1C(=O)OC ZINC001604292277 1018345291 /nfs/dbraw/zinc/34/52/91/1018345291.db2.gz IRBRLJMHIRYUFR-HTQZYQBOSA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(C)(C)C(=O)[O-])C[C@@H]1C(=O)OC ZINC001604292279 1018345571 /nfs/dbraw/zinc/34/55/71/1018345571.db2.gz IRBRLJMHIRYUFR-YUMQZZPRSA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)[C@@H]1CSCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001604292804 1018345739 /nfs/dbraw/zinc/34/57/39/1018345739.db2.gz MMJXFTBKEGQRAA-IONNQARKSA-N -1 0 316.335 -0.420 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C1=C2CCCN=C2NN1 ZINC001604311484 1018348224 /nfs/dbraw/zinc/34/82/24/1018348224.db2.gz UKWVPDBHWSQZJK-UHFFFAOYSA-N -1 0 310.310 -0.983 20 0 DBADRM COC(=O)C[C@H]1COCCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001604304101 1018348640 /nfs/dbraw/zinc/34/86/40/1018348640.db2.gz KNIIBMXUVGNUPI-CBAPKCEASA-N -1 0 300.267 -0.994 20 0 DBADRM COC(=O)C[C@@H]1CS(=O)(=O)CCN1[C@@H](C(=O)[O-])C1CC1 ZINC001604303951 1018349405 /nfs/dbraw/zinc/34/94/05/1018349405.db2.gz HCRGFIKOBHFMOT-MWLCHTKSSA-N -1 0 305.352 -0.488 20 0 DBADRM C[C@H](NC(=O)c1ccn(C)n1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604312440 1018349484 /nfs/dbraw/zinc/34/94/84/1018349484.db2.gz BJALFCAKRPDLGM-IUCAKERBSA-N -1 0 318.337 -0.051 20 0 DBADRM C[C@@H](NC(=O)c1cnn(C)n1)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604315418 1018349564 /nfs/dbraw/zinc/34/95/64/1018349564.db2.gz ARIXUVSIYRIABZ-HTQZYQBOSA-N -1 0 319.325 -0.656 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C(=O)NCCF ZINC001604306269 1018350113 /nfs/dbraw/zinc/35/01/13/1018350113.db2.gz OIKULTMTWCNKES-KXUCPTDWSA-N -1 0 304.318 -0.011 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001604304104 1018350328 /nfs/dbraw/zinc/35/03/28/1018350328.db2.gz KONTWXCFODRNMV-UHFFFAOYSA-N -1 0 309.278 -0.212 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1ccnc2n[nH]nc21)C(=O)[O-] ZINC001604321802 1018350792 /nfs/dbraw/zinc/35/07/92/1018350792.db2.gz FSWNEJFDJCBTKR-ZETCQYMHSA-N -1 0 307.266 -0.511 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CC1(O)CCOCC1)C(=O)[O-] ZINC001604317740 1018351600 /nfs/dbraw/zinc/35/16/00/1018351600.db2.gz DPPQHEIFKJUKSE-VIFPVBQESA-N -1 0 303.311 -0.559 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1ccc2nncn2c1)C(=O)[O-] ZINC001604322710 1018351680 /nfs/dbraw/zinc/35/16/80/1018351680.db2.gz ZVXUPIOMASWIHU-VIFPVBQESA-N -1 0 306.278 -0.135 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)[C@H]1CCC[C@H]1OC)C(=O)[O-] ZINC001604321944 1018351964 /nfs/dbraw/zinc/35/19/64/1018351964.db2.gz GSDHXQXVMRPPJR-AEJSXWLSSA-N -1 0 323.367 -0.120 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1ccnc2c1nnn2C)C(=O)[O-] ZINC001604321817 1018352531 /nfs/dbraw/zinc/35/25/31/1018352531.db2.gz GGFCKLIQSZRXLA-QMMMGPOBSA-N -1 0 321.293 -0.501 20 0 DBADRM COC(=O)CN1CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001604326681 1018353276 /nfs/dbraw/zinc/35/32/76/1018353276.db2.gz WJUOXPKDZCVNKC-UHFFFAOYSA-N -1 0 307.306 -0.289 20 0 DBADRM COC(=O)Cc1occc1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC001604334802 1018354498 /nfs/dbraw/zinc/35/44/98/1018354498.db2.gz YBQNFPHAALFKTN-UHFFFAOYSA-N -1 0 308.250 -0.077 20 0 DBADRM C[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])[C@@H]1CN(C)CCO1 ZINC001604351579 1018354665 /nfs/dbraw/zinc/35/46/65/1018354665.db2.gz WVIGQMSSCFQXHX-UWVGGRQHSA-N -1 0 308.400 -0.264 20 0 DBADRM COC(=O)N1CCC(NC(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC001604344949 1018355079 /nfs/dbraw/zinc/35/50/79/1018355079.db2.gz IQOYPTQPPKUNTB-UHFFFAOYSA-N -1 0 311.298 -0.677 20 0 DBADRM CCN1CCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001604344042 1018355436 /nfs/dbraw/zinc/35/54/36/1018355436.db2.gz HFQHSJOXWPWGIE-VHSXEESVSA-N -1 0 319.373 -0.428 20 0 DBADRM COC(=O)N1CCC(NC(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001604345069 1018355602 /nfs/dbraw/zinc/35/56/02/1018355602.db2.gz ORGXPCVKPFXBPT-CYBMUJFWSA-N -1 0 300.311 -0.033 20 0 DBADRM COC(=O)Cc1cccc(NC(=O)NC[C@](C)(O)C(=O)[O-])n1 ZINC001604334633 1018355748 /nfs/dbraw/zinc/35/57/48/1018355748.db2.gz VWXKQBPRUMXYJI-ZDUSSCGKSA-N -1 0 311.294 -0.246 20 0 DBADRM C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C(=O)NCCF ZINC001604349787 1018356083 /nfs/dbraw/zinc/35/60/83/1018356083.db2.gz AVXSRNCMAKEOOH-MRVPVSSYSA-N -1 0 310.347 -0.365 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001604345025 1018356575 /nfs/dbraw/zinc/35/65/75/1018356575.db2.gz MDOTXFQSRSMMSK-QMMMGPOBSA-N -1 0 311.298 -0.677 20 0 DBADRM C[C@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)C(=O)NCCF ZINC001604349806 1018356723 /nfs/dbraw/zinc/35/67/23/1018356723.db2.gz BHTCYAOYGGFAED-QMMMGPOBSA-N -1 0 310.347 -0.365 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C[C@@H](C)O1 ZINC001604354457 1018357699 /nfs/dbraw/zinc/35/76/99/1018357699.db2.gz JCXFXQVVECZAFE-VYUIOLGVSA-N -1 0 301.295 -0.591 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001604358302 1018358980 /nfs/dbraw/zinc/35/89/80/1018358980.db2.gz MVBZYAUDZWYLPO-IVZWLZJFSA-N -1 0 322.383 -0.690 20 0 DBADRM C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)NCCF ZINC001604354082 1018359913 /nfs/dbraw/zinc/35/99/13/1018359913.db2.gz LBTASBNOMSWSES-LURJTMIESA-N -1 0 307.303 -0.535 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(=O)NC(C)(C)C ZINC001604354728 1018359941 /nfs/dbraw/zinc/35/99/41/1018359941.db2.gz ZHHHTCMHVJTTNW-ZCFIWIBFSA-N -1 0 318.355 -0.311 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1nnnn1C ZINC001604355120 1018360319 /nfs/dbraw/zinc/36/03/19/1018360319.db2.gz CFKHYEFHQKDNMN-SSDOTTSWSA-N -1 0 311.323 -0.052 20 0 DBADRM C[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@H]1CN(C)CCO1 ZINC001604354076 1018360484 /nfs/dbraw/zinc/36/04/84/1018360484.db2.gz KRURTEXIONNWFX-IONNQARKSA-N -1 0 318.355 -0.895 20 0 DBADRM CCOC(=O)C[C@@H](O)Cn1c(=O)ccc(-c2nnn[n-]2)c1OC ZINC001604371408 1018361491 /nfs/dbraw/zinc/36/14/91/1018361491.db2.gz CTEMKCRANYJWBK-MRVPVSSYSA-N -1 0 323.309 -0.649 20 0 DBADRM C[C@](O)(C[C@H](O)CN1CCNC(=O)[C@H]1CC(=O)[O-])C1CC1 ZINC001604368915 1018361752 /nfs/dbraw/zinc/36/17/52/1018361752.db2.gz FCSBDOBGXONCHK-WDMOLILDSA-N -1 0 300.355 -0.827 20 0 DBADRM COC(=O)c1c[nH]c(SCCS(=O)(=O)CC(=O)[O-])n1 ZINC001604366307 1018362090 /nfs/dbraw/zinc/36/20/90/1018362090.db2.gz SIZMQBBNSOXJDR-UHFFFAOYSA-N -1 0 308.337 -0.212 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)C1 ZINC001604361402 1018362586 /nfs/dbraw/zinc/36/25/86/1018362586.db2.gz MNBKMDHYGBRJQV-RNSXUZJQSA-N -1 0 307.324 -0.899 20 0 DBADRM CCOC(=O)[C@H]1CCN(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001604369977 1018363457 /nfs/dbraw/zinc/36/34/57/1018363457.db2.gz HWLIEAYBPPLBIB-JTQLQIEISA-N -1 0 318.337 -0.129 20 0 DBADRM CC(=O)NCC[C@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001500623164 1018364034 /nfs/dbraw/zinc/36/40/34/1018364034.db2.gz DVOKHGYNKAJVNQ-SNVBAGLBSA-N -1 0 311.342 -0.403 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001604377369 1018365246 /nfs/dbraw/zinc/36/52/46/1018365246.db2.gz DFAXFJHRJOBGNX-NWHVRFAMSA-N -1 0 308.334 -0.031 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)CCC(=O)[O-] ZINC001604379037 1018365304 /nfs/dbraw/zinc/36/53/04/1018365304.db2.gz RCGZLUVBGSELET-CQSZACIVSA-N -1 0 311.290 -0.424 20 0 DBADRM C[C@H](O)[C@@H]1CN([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC001604379820 1018365319 /nfs/dbraw/zinc/36/53/19/1018365319.db2.gz IDFAQBRMGDUWGP-GVXVVHGQSA-N -1 0 314.382 -0.220 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001604378922 1018366006 /nfs/dbraw/zinc/36/60/06/1018366006.db2.gz PCVJUQJFIDCUJH-DXVIDONBSA-N -1 0 302.302 -0.713 20 0 DBADRM COC(=O)c1cc(NC(=O)NC[C@](C)(O)C(=O)[O-])nn1C ZINC001604375455 1018366238 /nfs/dbraw/zinc/36/62/38/1018366238.db2.gz UFYDFORINYDHKD-NSHDSACASA-N -1 0 300.271 -0.836 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001604377091 1018366551 /nfs/dbraw/zinc/36/65/51/1018366551.db2.gz ACIDEUORERGECI-HJQYOEGKSA-N -1 0 312.366 -0.121 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001604378696 1018366567 /nfs/dbraw/zinc/36/65/67/1018366567.db2.gz NMVRIIVFFARCRE-SPFNVWMYSA-N -1 0 312.366 -0.169 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001604387332 1018367123 /nfs/dbraw/zinc/36/71/23/1018367123.db2.gz UWCIQTRQBNWGNX-MRVPVSSYSA-N -1 0 321.326 -0.112 20 0 DBADRM C[C@H](O)C[C@H]1COCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001604384791 1018367510 /nfs/dbraw/zinc/36/75/10/1018367510.db2.gz XWQYUJFYMPAKJS-IUCAKERBSA-N -1 0 318.351 -0.127 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCO1 ZINC001604381619 1018368772 /nfs/dbraw/zinc/36/87/72/1018368772.db2.gz YFISQWPVCQANFN-KXNHARMFSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@@H](O)CN(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[C@H](C)CO ZINC001604387385 1018369149 /nfs/dbraw/zinc/36/91/49/1018369149.db2.gz VLSGUFLJMVHVHW-GWOFURMSSA-N -1 0 304.343 -0.751 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1)C1CC1 ZINC001604384302 1018369208 /nfs/dbraw/zinc/36/92/08/1018369208.db2.gz QFZOFMMPTWPWIC-GXSJLCMTSA-N -1 0 314.338 -0.940 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCO1 ZINC001604381622 1018369231 /nfs/dbraw/zinc/36/92/31/1018369231.db2.gz YFISQWPVCQANFN-YFKTTZPYSA-N -1 0 301.339 -0.136 20 0 DBADRM CCO[C@@H](C)C(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001604397610 1018370661 /nfs/dbraw/zinc/37/06/61/1018370661.db2.gz GGPXAVDZAKCKPG-VIFPVBQESA-N -1 0 320.357 -0.626 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)C(=O)NCC(=O)[O-] ZINC001604395911 1018371293 /nfs/dbraw/zinc/37/12/93/1018371293.db2.gz ARHVTXWLJFHUGF-DJLDLDEBSA-N -1 0 300.311 -0.589 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])o1 ZINC001604390485 1018371715 /nfs/dbraw/zinc/37/17/15/1018371715.db2.gz WDAROEZZOIHWRE-SNVBAGLBSA-N -1 0 307.280 -0.820 20 0 DBADRM C[C@@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)C(C)(C)C(=O)[O-] ZINC001604395880 1018371924 /nfs/dbraw/zinc/37/19/24/1018371924.db2.gz AJLZMJWWMFVBLV-RQJHMYQMSA-N -1 0 314.294 -0.414 20 0 DBADRM C[C@H](OC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)NCC(=O)[O-] ZINC001604393351 1018372697 /nfs/dbraw/zinc/37/26/97/1018372697.db2.gz ITQNMLLNLURIMY-IUCAKERBSA-N -1 0 314.338 -0.234 20 0 DBADRM C[C@@H](OC(=O)C(C)(C)C(N)=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001604394633 1018372831 /nfs/dbraw/zinc/37/28/31/1018372831.db2.gz ZOSCZFAVQCJJOJ-MRVPVSSYSA-N -1 0 314.338 -0.247 20 0 DBADRM C[C@@H](OC(=O)[C@H](C)NC(=O)c1ccco1)C(=O)NCC(=O)[O-] ZINC001604407575 1018373776 /nfs/dbraw/zinc/37/37/76/1018373776.db2.gz WVPPZEYDHJSNNJ-JGVFFNPUSA-N -1 0 312.278 -0.470 20 0 DBADRM COC(=O)c1cn([C@H]2CCCN(C(=O)[C@H](C)C(=O)[O-])C2)nn1 ZINC001604403197 1018373834 /nfs/dbraw/zinc/37/38/34/1018373834.db2.gz GLFHZORFMGPOPN-IUCAKERBSA-N -1 0 310.310 -0.051 20 0 DBADRM CCO[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001604412299 1018374624 /nfs/dbraw/zinc/37/46/24/1018374624.db2.gz ORRGRDVTUUNZQL-QMMMGPOBSA-N -1 0 321.341 -0.741 20 0 DBADRM C[C@H](OC(=O)Cc1cn(C)nc1Cl)C(=O)NCC(=O)[O-] ZINC001604404954 1018374939 /nfs/dbraw/zinc/37/49/39/1018374939.db2.gz PROQXIKUNXKBTJ-LURJTMIESA-N -1 0 303.702 -0.252 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001604403812 1018375380 /nfs/dbraw/zinc/37/53/80/1018375380.db2.gz SWMAIAGMOJNYIK-ZCFIWIBFSA-N -1 0 305.312 -0.463 20 0 DBADRM C[C@H](OC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)C(=O)[O-] ZINC001604405953 1018375441 /nfs/dbraw/zinc/37/54/41/1018375441.db2.gz CJBDRPZIIDZKDQ-JHYUDYDFSA-N -1 0 300.185 -0.082 20 0 DBADRM COC(=O)c1cncc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC001604403802 1018376083 /nfs/dbraw/zinc/37/60/83/1018376083.db2.gz VSYSRHRWDJXKNP-SNVBAGLBSA-N -1 0 322.273 -0.290 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001604410806 1018376103 /nfs/dbraw/zinc/37/61/03/1018376103.db2.gz GQOHEBMONFPNRK-JTQLQIEISA-N -1 0 307.280 -0.820 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N(CC(=O)N(C)C)CC(F)(F)F ZINC001604419613 1018377915 /nfs/dbraw/zinc/37/79/15/1018377915.db2.gz AUYYMVXFHUTMGN-SSDOTTSWSA-N -1 0 300.233 -0.435 20 0 DBADRM C[C@@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)NCC(=O)[O-] ZINC001604417810 1018378009 /nfs/dbraw/zinc/37/80/09/1018378009.db2.gz MYZVIYQXVFAWJZ-MRVPVSSYSA-N -1 0 319.277 -0.592 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001604421186 1018378130 /nfs/dbraw/zinc/37/81/30/1018378130.db2.gz HXRADXQHLZHORC-WDEREUQCSA-N -1 0 313.354 -0.310 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1ncccc1S(C)(=O)=O ZINC001604435052 1018380458 /nfs/dbraw/zinc/38/04/58/1018380458.db2.gz PRVXNSAQERLWSN-VIFPVBQESA-N -1 0 302.308 -0.799 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC001604424507 1018381392 /nfs/dbraw/zinc/38/13/92/1018381392.db2.gz QLQQXFPOEMEDIF-VWYCJHECSA-N -1 0 301.339 -0.088 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC001604433127 1018382302 /nfs/dbraw/zinc/38/23/02/1018382302.db2.gz CCHHUFISXPQVDW-SFYZADRCSA-N -1 0 304.299 -0.247 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001604460192 1018383301 /nfs/dbraw/zinc/38/33/01/1018383301.db2.gz ZZHKJFUGAGBUGK-RDDDGLTNSA-N -1 0 300.340 -0.344 20 0 DBADRM C[C@H](Sc1nnnn1CC(F)(F)F)C(=O)NCC(=O)[O-] ZINC001604459820 1018384120 /nfs/dbraw/zinc/38/41/20/1018384120.db2.gz VRCQTZUSGBMDLK-BYPYZUCNSA-N -1 0 313.261 -0.083 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001604458289 1018384281 /nfs/dbraw/zinc/38/42/81/1018384281.db2.gz ADTHOACVZVHESW-UFBFGSQYSA-N -1 0 314.367 -0.097 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC001604454805 1018384378 /nfs/dbraw/zinc/38/43/78/1018384378.db2.gz FNFUCQGAGLOYRB-QEIRPPLWSA-N -1 0 313.310 -0.887 20 0 DBADRM C[C@@H](c1nnnn1C)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001604480239 1018386075 /nfs/dbraw/zinc/38/60/75/1018386075.db2.gz ITYQKLKMDZPLCW-QMMMGPOBSA-N -1 0 306.330 -0.102 20 0 DBADRM CO[C@H]([C@@H](C)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C1CC1 ZINC001604471687 1018386499 /nfs/dbraw/zinc/38/64/99/1018386499.db2.gz XFHJEAWHLUPUNE-PRHODGIISA-N -1 0 324.337 -0.164 20 0 DBADRM CO[C@@H](C)[C@@H](C)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001604472088 1018386783 /nfs/dbraw/zinc/38/67/83/1018386783.db2.gz RZAFHRQTZXCSFF-BDAKNGLRSA-N -1 0 307.368 -0.194 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccnc(-n2cncn2)c1 ZINC001604462726 1018387152 /nfs/dbraw/zinc/38/71/52/1018387152.db2.gz HZBIKZINVVTNNP-CYBMUJFWSA-N -1 0 305.294 -0.232 20 0 DBADRM C[C@H](c1nnnn1C)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001604480661 1018387280 /nfs/dbraw/zinc/38/72/80/1018387280.db2.gz LLLNHQRKGVXCIP-BDAKNGLRSA-N -1 0 306.330 -0.102 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)OCc1nnnn1CC(F)(F)F ZINC001604473352 1018387429 /nfs/dbraw/zinc/38/74/29/1018387429.db2.gz VIOOKZMDJHAWRF-MRVPVSSYSA-N -1 0 312.204 -0.232 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 ZINC001604464151 1018387811 /nfs/dbraw/zinc/38/78/11/1018387811.db2.gz KXIZASMZTAAREX-AWEZNQCLSA-N -1 0 323.305 -0.670 20 0 DBADRM C[C@]1(C(=O)NC[C@H](CO)Nc2ncc(C(=O)[O-])cn2)CCOC1 ZINC001604487582 1018388785 /nfs/dbraw/zinc/38/87/85/1018388785.db2.gz ZNPBDVNFELJEAV-YGRLFVJLSA-N -1 0 324.337 -0.510 20 0 DBADRM C[C@@]1(C(=O)N2CCN(CC(=O)[O-])CC2)CCCS1(=O)=O ZINC001604485491 1018389118 /nfs/dbraw/zinc/38/91/18/1018389118.db2.gz AVXVXRQUTKRBEK-LBPRGKRZSA-N -1 0 304.368 -0.818 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCCn2ccnc2)C1 ZINC001604490155 1018389593 /nfs/dbraw/zinc/38/95/93/1018389593.db2.gz OILCBMVNTOJMIT-CQSZACIVSA-N -1 0 308.338 -0.287 20 0 DBADRM CC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CC=CC1 ZINC001604484838 1018389821 /nfs/dbraw/zinc/38/98/21/1018389821.db2.gz TUPTVAQRMWRVDG-GHMZBOCLSA-N -1 0 322.361 -0.247 20 0 DBADRM C[C@]1(C(=O)NC[C@]2(C(=O)[O-])CCOC2)CCCS1(=O)=O ZINC001604486999 1018389972 /nfs/dbraw/zinc/38/99/72/1018389972.db2.gz PMMBPBLGEZEYFM-VXGBXAGGSA-N -1 0 305.352 -0.439 20 0 DBADRM C[C@]1(C(=O)NC[C@@H](CO)Nc2ncc(C(=O)[O-])cn2)CCOC1 ZINC001604487573 1018390342 /nfs/dbraw/zinc/39/03/42/1018390342.db2.gz ZNPBDVNFELJEAV-HZMBPMFUSA-N -1 0 324.337 -0.510 20 0 DBADRM C[C@@]1(C(=O)NCC2(C(=O)[O-])CCOCC2)CCCS1(=O)=O ZINC001604485895 1018390975 /nfs/dbraw/zinc/39/09/75/1018390975.db2.gz AVPOSXUCQHVRFB-LBPRGKRZSA-N -1 0 319.379 -0.049 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)NCC(=O)N=S(C)(C)=O)C1 ZINC001604499117 1018393447 /nfs/dbraw/zinc/39/34/47/1018393447.db2.gz QHVIGUNMNBQQJU-LLVKDONJSA-N -1 0 305.356 -0.253 20 0 DBADRM CO[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001604498411 1018392792 /nfs/dbraw/zinc/39/27/92/1018392792.db2.gz GBFDZQFCJGKHLR-DTWKUNHWSA-N -1 0 310.310 -0.410 20 0 DBADRM COC1(OC)CC(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001604491992 1018392911 /nfs/dbraw/zinc/39/29/11/1018392911.db2.gz ULNAHCVKXVHSJP-JTQLQIEISA-N -1 0 322.383 -0.231 20 0 DBADRM CC[C@@H]1C[C@H]1CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001604490940 1018393048 /nfs/dbraw/zinc/39/30/48/1018393048.db2.gz CZNYJYCNUQXIGG-SFYZADRCSA-N -1 0 305.342 -0.278 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)CNS(=O)(=O)c2cccnc2)C1 ZINC001604502600 1018393894 /nfs/dbraw/zinc/39/38/94/1018393894.db2.gz VDRVOJDQWTVLGC-UHFFFAOYSA-N -1 0 313.335 -0.707 20 0 DBADRM COC[C@H](CCNC(=O)c1cccn(CC(=O)[O-])c1=O)OC ZINC001604514487 1018394515 /nfs/dbraw/zinc/39/45/15/1018394515.db2.gz GYVOGGZSNSGBOK-JTQLQIEISA-N -1 0 312.322 -0.286 20 0 DBADRM CC1(C)C[C@@H](CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])CCO1 ZINC001604514761 1018395613 /nfs/dbraw/zinc/39/56/13/1018395613.db2.gz QHDLIYUICAKMRK-IUCAKERBSA-N -1 0 304.318 -0.153 20 0 DBADRM COCC(C)(C)N1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001604507310 1018395707 /nfs/dbraw/zinc/39/57/07/1018395707.db2.gz APLAQYRYMCWOSI-UHFFFAOYSA-N -1 0 322.427 -0.472 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)N[C@H](CC2OCCO2)C(=O)[O-])CO1 ZINC001604519536 1018396323 /nfs/dbraw/zinc/39/63/23/1018396323.db2.gz SPVRNBRLGPRVCZ-DTWKUNHWSA-N -1 0 323.367 -0.311 20 0 DBADRM CC1(C)CCN(CC(=O)NCCC(=O)[O-])CCS1(=O)=O ZINC001604535451 1018396787 /nfs/dbraw/zinc/39/67/87/1018396787.db2.gz UITFUDXMTFQHCC-UHFFFAOYSA-N -1 0 306.384 -0.524 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CC(C)(C)O)C1 ZINC001604524039 1018397048 /nfs/dbraw/zinc/39/70/48/1018397048.db2.gz ZYCUXWGBTZILPP-CQSZACIVSA-N -1 0 316.354 -0.835 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)c2nc3ncccn3n2)C1 ZINC001604535697 1018397066 /nfs/dbraw/zinc/39/70/66/1018397066.db2.gz JMMNLDHGCXHLKP-ZDUSSCGKSA-N -1 0 305.294 -0.312 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001604535874 1018397633 /nfs/dbraw/zinc/39/76/33/1018397633.db2.gz PGDKHYIUWUQOAF-AWEZNQCLSA-N -1 0 319.321 -0.073 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2COC[C@@H]2C)C1 ZINC001604523094 1018397653 /nfs/dbraw/zinc/39/76/53/1018397653.db2.gz KKUGFJGQBZGVLP-RBZYPMLTSA-N -1 0 314.338 -0.913 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001604526999 1018397686 /nfs/dbraw/zinc/39/76/86/1018397686.db2.gz SQIPBARHWFPBAG-NSHDSACASA-N -1 0 308.356 -0.995 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])CO1 ZINC001604520163 1018397726 /nfs/dbraw/zinc/39/77/26/1018397726.db2.gz ZAIANTSCWWHHAQ-DTWKUNHWSA-N -1 0 320.367 -0.841 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)NCCC(=O)NCCC(=O)[O-])CO1 ZINC001604519919 1018398252 /nfs/dbraw/zinc/39/82/52/1018398252.db2.gz WZYRQZZBPPQOGV-SECBINFHSA-N -1 0 322.383 -0.546 20 0 DBADRM CC1(C)COCCN1CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001604552490 1018398783 /nfs/dbraw/zinc/39/87/83/1018398783.db2.gz GEUQTZUWLYWSOC-MNOVXSKESA-N -1 0 300.355 -0.154 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)Nc2ccc(C(=O)[O-])nn2)C1=O ZINC001604554856 1018399680 /nfs/dbraw/zinc/39/96/80/1018399680.db2.gz SJFACLSOABEJMN-UHFFFAOYSA-N -1 0 307.266 -0.556 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cnn(CCF)c2)CCO1 ZINC001604556534 1018399781 /nfs/dbraw/zinc/39/97/81/1018399781.db2.gz ARCQVLMNZOWZDI-ZDUSSCGKSA-N -1 0 315.301 -0.205 20 0 DBADRM CC1(C)NC(=O)N(CCCNC(=O)c2cc(C(=O)[O-])on2)C1=O ZINC001604554511 1018400203 /nfs/dbraw/zinc/40/02/03/1018400203.db2.gz VRIJWWPSNAXUSL-UHFFFAOYSA-N -1 0 324.293 -0.177 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)Nc2ccncc2F)CCO1 ZINC001604558031 1018401548 /nfs/dbraw/zinc/40/15/48/1018401548.db2.gz SNTKRRANCXVAGP-ZDUSSCGKSA-N -1 0 313.285 -0.024 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@@H]2[C@@H](C(=O)OC)C2(F)F)CCO1 ZINC001604557580 1018401849 /nfs/dbraw/zinc/40/18/49/1018401849.db2.gz ICLATMUKTCFXMJ-PTRXPTGYSA-N -1 0 323.292 -0.157 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)O1 ZINC001604560077 1018402056 /nfs/dbraw/zinc/40/20/56/1018402056.db2.gz NOKVIBLXBKJHSJ-ZJUUUORDSA-N -1 0 314.338 -0.423 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CC(=O)N2CCO[C@H](C)C2)CCO1 ZINC001604558564 1018402413 /nfs/dbraw/zinc/40/24/13/1018402413.db2.gz PHWREESFBGEZLC-RISCZKNCSA-N -1 0 316.354 -0.964 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2ccc(C(N)=O)o2)CCO1 ZINC001604557335 1018402537 /nfs/dbraw/zinc/40/25/37/1018402537.db2.gz MKHZGFVYMRFTMO-CYBMUJFWSA-N -1 0 312.278 -0.679 20 0 DBADRM CC1(C)OCC(CO)(NC(=O)Cn2ccc(C(=O)[O-])n2)CO1 ZINC001604560687 1018403053 /nfs/dbraw/zinc/40/30/53/1018403053.db2.gz UWPUGSIXBGFXCS-UHFFFAOYSA-N -1 0 313.310 -0.789 20 0 DBADRM COC[C@@]1(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)CCOC1 ZINC001604566720 1018404060 /nfs/dbraw/zinc/40/40/60/1018404060.db2.gz BOIKZCSHLSDLJU-ZANVPECISA-N -1 0 301.295 -0.732 20 0 DBADRM COCC1(CS(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)CCC1 ZINC001604567104 1018404710 /nfs/dbraw/zinc/40/47/10/1018404710.db2.gz GVAANACARWDHDZ-GFCCVEGCSA-N -1 0 307.368 -0.034 20 0 DBADRM C[C@@]1(CC(=O)N2CCOC[C@H]2CC(=O)[O-])CCS(=O)(=O)N1 ZINC001604568315 1018404944 /nfs/dbraw/zinc/40/49/44/1018404944.db2.gz BAQZCKRYTODJGD-SKDRFNHKSA-N -1 0 320.367 -0.840 20 0 DBADRM COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)COCC(=O)[O-])O1 ZINC001604567065 1018405331 /nfs/dbraw/zinc/40/53/31/1018405331.db2.gz GDNVYJXWVQZQFC-QJPTWQEYSA-N -1 0 317.338 -0.491 20 0 DBADRM CC1(CCNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)OCCO1 ZINC001604572593 1018406552 /nfs/dbraw/zinc/40/65/52/1018406552.db2.gz JYAYAKDSXZNYHO-JTQLQIEISA-N -1 0 314.338 -0.421 20 0 DBADRM CC1(CCNC(=O)C(=O)Nc2cccc(C(=O)[O-])n2)OCCO1 ZINC001604572895 1018406835 /nfs/dbraw/zinc/40/68/35/1018406835.db2.gz OQRWRTNZWZJJFU-UHFFFAOYSA-N -1 0 323.305 -0.012 20 0 DBADRM CC1(CS(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001604582548 1018407326 /nfs/dbraw/zinc/40/73/26/1018407326.db2.gz GCOAPKMDWXRNJD-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM COC[C@@H]1COCCN1C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604573319 1018407611 /nfs/dbraw/zinc/40/76/11/1018407611.db2.gz CVFKCZFGPISYQA-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM CC1(CCNC(=O)NCCn2cc(C(=O)[O-])nn2)OCCO1 ZINC001604572627 1018407783 /nfs/dbraw/zinc/40/77/83/1018407783.db2.gz LBAGDRXVRKWADO-UHFFFAOYSA-N -1 0 313.314 -0.571 20 0 DBADRM C[C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001604583999 1018407863 /nfs/dbraw/zinc/40/78/63/1018407863.db2.gz DCCRLZIIYFPVNQ-ZETOZRRWSA-N -1 0 312.366 -0.023 20 0 DBADRM COCCCOCCN(C)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001604580926 1018407876 /nfs/dbraw/zinc/40/78/76/1018407876.db2.gz VKUGFICUEMHEIX-UHFFFAOYSA-N -1 0 300.315 -0.512 20 0 DBADRM CCc1nnc(NCCn2cnnn2)c(-c2nn[nH]n2)c1CC ZINC001604582073 1018408075 /nfs/dbraw/zinc/40/80/75/1018408075.db2.gz WJNXRTGLVJUSLY-UHFFFAOYSA-N -1 0 315.345 -0.120 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@@H](C)CN1CCOCC1 ZINC001604596949 1018409123 /nfs/dbraw/zinc/40/91/23/1018409123.db2.gz WGQWFGITPWWETM-LBPRGKRZSA-N -1 0 317.386 -0.160 20 0 DBADRM C[C@]1(CO)CCCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001604585020 1018409147 /nfs/dbraw/zinc/40/91/47/1018409147.db2.gz UFSCWZXXWGFTLG-ZDUSSCGKSA-N -1 0 311.342 -0.220 20 0 DBADRM CC1(Cn2cc(C(=O)Nc3cnn(CC(=O)[O-])c3)nn2)COC1 ZINC001604589055 1018409306 /nfs/dbraw/zinc/40/93/06/1018409306.db2.gz YYJRXTZRKOBIDF-UHFFFAOYSA-N -1 0 320.309 -0.152 20 0 DBADRM CC1(O)CCN(c2cc(N3CC[C@@](O)(C(=O)[O-])C3)ncn2)CC1 ZINC001604595959 1018409457 /nfs/dbraw/zinc/40/94/57/1018409457.db2.gz XRTFDCHUVLHOIJ-HNNXBMFYSA-N -1 0 322.365 -0.146 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1COC(C)(C)C1 ZINC001604597490 1018409509 /nfs/dbraw/zinc/40/95/09/1018409509.db2.gz HBMCLCAIUMHMAM-JTQLQIEISA-N -1 0 316.354 -0.380 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)/C=C1/SCC(=O)N1C ZINC001604596802 1018409660 /nfs/dbraw/zinc/40/96/60/1018409660.db2.gz RUQLEPSGINCNJH-YRNVUSSQSA-N -1 0 302.352 -0.017 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001604597280 1018409889 /nfs/dbraw/zinc/40/98/89/1018409889.db2.gz BAFIPSCZRATTTD-UHFFFAOYSA-N -1 0 319.379 -0.239 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cn(Cc2noc(C)n2)nn1 ZINC001604592539 1018410491 /nfs/dbraw/zinc/41/04/91/1018410491.db2.gz KZAWGTFLLRPNBZ-UHFFFAOYSA-N -1 0 324.297 -0.809 20 0 DBADRM C[C@]12CN(C(=S)NCCCC(=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001604607276 1018411319 /nfs/dbraw/zinc/41/13/19/1018411319.db2.gz XGHMWRVFBOSAKN-BETUJISGSA-N -1 0 313.379 -0.290 20 0 DBADRM CC1=C(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@H](C)n2nnnc2N1C ZINC001604607323 1018412106 /nfs/dbraw/zinc/41/21/06/1018412106.db2.gz LLMVGAWERVJVCL-CIUDSAMLSA-N -1 0 306.326 -0.063 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(COC(=O)OC(C)C)c1=O ZINC001604601013 1018412594 /nfs/dbraw/zinc/41/25/94/1018412594.db2.gz IGYPPIDWWLSMEO-UHFFFAOYSA-N -1 0 324.297 -0.271 20 0 DBADRM COCCOC(=O)CSCCS(=O)(=O)CC(=O)[O-] ZINC001604611870 1018415030 /nfs/dbraw/zinc/41/50/30/1018415030.db2.gz MKWVUAJLIKWHBD-UHFFFAOYSA-N -1 0 300.354 -0.591 20 0 DBADRM COCCN1CN(CC2(O)CCC(C(=O)[O-])CC2)CC1=O ZINC001604612581 1018415072 /nfs/dbraw/zinc/41/50/72/1018415072.db2.gz MHZHYNTXYXHPNY-UHFFFAOYSA-N -1 0 300.355 -0.260 20 0 DBADRM CCn1ccnc1NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604612520 1018415121 /nfs/dbraw/zinc/41/51/21/1018415121.db2.gz IUMPJBAXDNNYCK-ZETCQYMHSA-N -1 0 302.302 -0.126 20 0 DBADRM COCCN1CCN(CC2(O)CCC(C(=O)[O-])CC2)CC1=O ZINC001604612628 1018415554 /nfs/dbraw/zinc/41/55/54/1018415554.db2.gz QHLOGBIEYLKFLB-UHFFFAOYSA-N -1 0 314.382 -0.217 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001604617916 1018415821 /nfs/dbraw/zinc/41/58/21/1018415821.db2.gz JZUZEZIQHDOQDB-JTQLQIEISA-N -1 0 315.351 -0.109 20 0 DBADRM CC(=O)NC[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)C(C)C ZINC001500700964 1018416074 /nfs/dbraw/zinc/41/60/74/1018416074.db2.gz GUWFCJXSMTWTJL-LLVKDONJSA-N -1 0 305.338 -0.087 20 0 DBADRM COCCn1cc(CNC(=O)CCCC(=O)[O-])c(=O)[nH]c1=O ZINC001604629864 1018417403 /nfs/dbraw/zinc/41/74/03/1018417403.db2.gz MPTWCUIPBYEHBD-UHFFFAOYSA-N -1 0 313.310 -0.534 20 0 DBADRM COCCn1ccc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)n1 ZINC001604629908 1018418037 /nfs/dbraw/zinc/41/80/37/1018418037.db2.gz OUVAEHZSHWRVDC-JTQLQIEISA-N -1 0 311.294 -0.628 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC001604628548 1018418386 /nfs/dbraw/zinc/41/83/86/1018418386.db2.gz YJFVROINFYXABV-RKDXNWHRSA-N -1 0 319.321 -0.548 20 0 DBADRM COCCc1cc(NC(=O)NC[C@](C)(O)C(=O)[O-])n(C)n1 ZINC001604628779 1018418483 /nfs/dbraw/zinc/41/84/83/1018418483.db2.gz KFBMUNJFZRXTGK-LBPRGKRZSA-N -1 0 300.315 -0.434 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC001604624083 1018418535 /nfs/dbraw/zinc/41/85/35/1018418535.db2.gz PXDXJHHBVVCPKI-KLHWPWHYSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@H]1[C@@H](OC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC(=O)N1C ZINC001604647539 1018419559 /nfs/dbraw/zinc/41/95/59/1018419559.db2.gz YPLARGCISXTUOG-UTLUCORTSA-N -1 0 312.322 -0.528 20 0 DBADRM C[C@H]1C[C@@H](C(=O)NCCNc2ccnc(C(=O)[O-])n2)CCO1 ZINC001604647914 1018419571 /nfs/dbraw/zinc/41/95/71/1018419571.db2.gz APMCOXPDZGXZFZ-UWVGGRQHSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001604642698 1018420173 /nfs/dbraw/zinc/42/01/73/1018420173.db2.gz BRHFPRUQBBDIMQ-ZYGVAYEYSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1[C@H](NC(=O)CC(N)=O)CCCN1c1ncc(C(=O)[O-])cn1 ZINC001604647457 1018420197 /nfs/dbraw/zinc/42/01/97/1018420197.db2.gz YADBMUNXMGTPCY-PSASIEDQSA-N -1 0 321.337 -0.476 20 0 DBADRM C[C@H]1[C@@H](CO)CCCN1C(=O)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001604642694 1018421097 /nfs/dbraw/zinc/42/10/97/1018421097.db2.gz BRHFPRUQBBDIMQ-UZEXVOJHSA-N -1 0 312.366 -0.025 20 0 DBADRM COC[C@H](C)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001604638547 1018421271 /nfs/dbraw/zinc/42/12/71/1018421271.db2.gz BPZGODVNWFLXBE-UWVGGRQHSA-N -1 0 301.343 -0.214 20 0 DBADRM COC[C@@H](C(N)=O)N(C)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001604639883 1018421324 /nfs/dbraw/zinc/42/13/24/1018421324.db2.gz WYKDQOHFZZURMC-BBBLOLIVSA-N -1 0 302.327 -0.785 20 0 DBADRM CC1(C(=O)NC[C@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)CCC1 ZINC001500710662 1018421731 /nfs/dbraw/zinc/42/17/31/1018421731.db2.gz NEEUGOUUGVIGOZ-CQSZACIVSA-N -1 0 309.370 -0.247 20 0 DBADRM C[C@H]1C[C@@H](CO)CN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001604661647 1018422442 /nfs/dbraw/zinc/42/24/42/1018422442.db2.gz BGFXLPPHAQNZBJ-WHOHXGKFSA-N -1 0 312.366 -0.215 20 0 DBADRM CON(C(=O)CS[C@@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)[O-] ZINC001604659024 1018423277 /nfs/dbraw/zinc/42/32/77/1018423277.db2.gz YTARZOFHJMBLFH-JGVFFNPUSA-N -1 0 311.381 -0.230 20 0 DBADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)Cn1ccc(=O)n(C)c1=O ZINC001604659589 1018423663 /nfs/dbraw/zinc/42/36/63/1018423663.db2.gz YCYCHEDVCIPJKN-NXEZZACHSA-N -1 0 323.349 -0.353 20 0 DBADRM CON(C(=O)CNS(=O)(=O)c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001604655080 1018423672 /nfs/dbraw/zinc/42/36/72/1018423672.db2.gz IDYQBPYJDSPBKR-VIFPVBQESA-N -1 0 316.335 -0.172 20 0 DBADRM COCc1ncc(CNC(=O)C2(C(=O)[O-])CCOCC2)c(N)n1 ZINC001604651017 1018423788 /nfs/dbraw/zinc/42/37/88/1018423788.db2.gz AIKDWTAOMUZUMY-UHFFFAOYSA-N -1 0 324.337 -0.297 20 0 DBADRM CO[C@H]1C[C@H](CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001604669471 1018424642 /nfs/dbraw/zinc/42/46/42/1018424642.db2.gz PBMZLTSZKDYSJX-MGCOHNPYSA-N -1 0 319.379 -0.193 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CS1 ZINC001604671979 1018426427 /nfs/dbraw/zinc/42/64/27/1018426427.db2.gz FSLJOIOHLFIRMC-UTLUCORTSA-N -1 0 316.379 -0.301 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CCO1 ZINC001604672462 1018428006 /nfs/dbraw/zinc/42/80/06/1018428006.db2.gz LXJKQLNMGPZMJC-HTQZYQBOSA-N -1 0 310.310 -0.260 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CCO1 ZINC001604672465 1018428254 /nfs/dbraw/zinc/42/82/54/1018428254.db2.gz LXJKQLNMGPZMJC-YUMQZZPRSA-N -1 0 310.310 -0.260 20 0 DBADRM COc1cc(C(=O)NCCOCCOCC(=O)[O-])sn1 ZINC001604686445 1018430256 /nfs/dbraw/zinc/43/02/56/1018430256.db2.gz FZCSRSBAGZFORE-UHFFFAOYSA-N -1 0 304.324 -0.001 20 0 DBADRM C[C@@H]1C[C@@H]1CNC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001604688321 1018430278 /nfs/dbraw/zinc/43/02/78/1018430278.db2.gz IZCVYBHBFUYNKA-YYHMBLRTSA-N -1 0 310.350 -0.292 20 0 DBADRM C[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001604688404 1018430930 /nfs/dbraw/zinc/43/09/30/1018430930.db2.gz KCAZRIVFKXJJAU-IJLUTSLNSA-N -1 0 311.382 -0.234 20 0 DBADRM C[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001604688403 1018431087 /nfs/dbraw/zinc/43/10/87/1018431087.db2.gz KCAZRIVFKXJJAU-GRYCIOLGSA-N -1 0 311.382 -0.234 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](N2C(=O)N[C@H](CCC(=O)[O-])C2=O)CC1=O ZINC001604689137 1018431878 /nfs/dbraw/zinc/43/18/78/1018431878.db2.gz UKXUXFNZOFKAGP-UTINFBMNSA-N -1 0 309.322 -0.219 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)[C@@H]1CO ZINC001604742368 1018436071 /nfs/dbraw/zinc/43/60/71/1018436071.db2.gz WGUWAXFRWMAPGB-HBIQZDMRSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@H]2CCN=C3C2=NNN3C)[C@H](C(=O)[O-])C1 ZINC001604743146 1018436831 /nfs/dbraw/zinc/43/68/31/1018436831.db2.gz HXLWKUOPHBUYMF-UTLUCORTSA-N -1 0 307.354 -0.078 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)[C@H]1CO ZINC001604739849 1018437288 /nfs/dbraw/zinc/43/72/88/1018437288.db2.gz HJWSRYUCVAYDJR-JRPNMDOOSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001604739507 1018437358 /nfs/dbraw/zinc/43/73/58/1018437358.db2.gz BXWCGYSAULVNRG-VHSXEESVSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C[C@@H]1CO ZINC001604741026 1018437398 /nfs/dbraw/zinc/43/73/98/1018437398.db2.gz GLXIJKOBVHDCGQ-RKDXNWHRSA-N -1 0 324.337 -0.466 20 0 DBADRM CN(CC1(C)COC1)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001604723117 1018437435 /nfs/dbraw/zinc/43/74/35/1018437435.db2.gz RJINMZCZOUNZJA-UHFFFAOYSA-N -1 0 324.366 -0.081 20 0 DBADRM C[C@H]1CCN(CC(=O)NCC(=O)N2CCCC2)[C@@H](C(=O)[O-])C1 ZINC001604753327 1018438872 /nfs/dbraw/zinc/43/88/72/1018438872.db2.gz VWMPZCURGOJWSA-NWDGAFQWSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@H]1CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C[C@H]1CO ZINC001604743912 1018439303 /nfs/dbraw/zinc/43/93/03/1018439303.db2.gz CJURUZIQIUEBIS-UWVGGRQHSA-N -1 0 311.342 -0.364 20 0 DBADRM C[C@H]1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])C[C@@H]1O ZINC001604746495 1018439956 /nfs/dbraw/zinc/43/99/56/1018439956.db2.gz ZJJWKOHUJVAMIG-UWVGGRQHSA-N -1 0 301.343 -0.620 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C[C@H]1CO ZINC001604743914 1018440237 /nfs/dbraw/zinc/44/02/37/1018440237.db2.gz CJURUZIQIUEBIS-ZJUUUORDSA-N -1 0 311.342 -0.364 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C[C@]1(C)CO ZINC001604768957 1018441524 /nfs/dbraw/zinc/44/15/24/1018441524.db2.gz NBLQVGCYIGFJBL-RMLUDKJBSA-N -1 0 324.337 -0.466 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(=O)NCCC(=O)[O-])C[C@H]1C ZINC001604766773 1018442412 /nfs/dbraw/zinc/44/24/12/1018442412.db2.gz BEAMTCSHMKPZAS-NXEZZACHSA-N -1 0 313.354 -0.802 20 0 DBADRM COc1ccc(C(=O)NCCNC(=O)[C@H](OC)C(=O)[O-])cc1 ZINC001604763878 1018442426 /nfs/dbraw/zinc/44/24/26/1018442426.db2.gz JZEVKEVCZNZPAC-NSHDSACASA-N -1 0 310.306 -0.359 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CCO1 ZINC001604768520 1018442442 /nfs/dbraw/zinc/44/24/42/1018442442.db2.gz OXIHBWVDCFSGAO-MNOVXSKESA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC(=O)N1 ZINC001604766911 1018442962 /nfs/dbraw/zinc/44/29/62/1018442962.db2.gz CRCKDAFVTVUSSW-YHAQOWFVSA-N -1 0 323.349 -0.953 20 0 DBADRM C[C@H]1CN(C(=O)CCCn2ccc(C(=O)[O-])n2)C[C@@H](CO)O1 ZINC001604770373 1018444374 /nfs/dbraw/zinc/44/43/74/1018444374.db2.gz TYSWJURZOYMPJM-QWRGUYRKSA-N -1 0 311.338 -0.030 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C[C@H](C)[C@H]1O ZINC001604770338 1018444500 /nfs/dbraw/zinc/44/45/00/1018444500.db2.gz SBEXCGPFWSYAMS-SRRSOLGSSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001604772319 1018444703 /nfs/dbraw/zinc/44/47/03/1018444703.db2.gz XMXHRUYFIGVGEB-CBAPKCEASA-N -1 0 307.310 -0.691 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C[C@H](C)[C@H]1O ZINC001604770202 1018444932 /nfs/dbraw/zinc/44/49/32/1018444932.db2.gz XSLXLAJMVTYKRA-IAZYJMLFSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001604771806 1018446011 /nfs/dbraw/zinc/44/60/11/1018446011.db2.gz SMOUBDGPRFPBAN-CBAPKCEASA-N -1 0 307.310 -0.691 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1Nc1ccnc(C(=O)[O-])n1 ZINC001604784543 1018448713 /nfs/dbraw/zinc/44/87/13/1018448713.db2.gz ZTTJMENMOFGCPT-SCZZXKLOSA-N -1 0 316.321 -0.108 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C[C@@H](C)S1(=O)=O ZINC001604779115 1018448815 /nfs/dbraw/zinc/44/88/15/1018448815.db2.gz BJBBCXQJUDDZRP-KYXWUPHJSA-N -1 0 305.352 -0.347 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC[S@@](=O)C1 ZINC001604803323 1018454620 /nfs/dbraw/zinc/45/46/20/1018454620.db2.gz QRNUZHJKKULCNX-GZYLLAKZSA-N -1 0 309.409 -0.120 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)NCC(F)F ZINC001604789770 1018451820 /nfs/dbraw/zinc/45/18/20/1018451820.db2.gz YIBJGNNHYGHXNY-QMMMGPOBSA-N -1 0 307.297 -0.625 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)[C@H]1CCOC1 ZINC001604793598 1018451889 /nfs/dbraw/zinc/45/18/89/1018451889.db2.gz BJMOWHLSTACHGG-QWRGUYRKSA-N -1 0 306.384 -0.414 20 0 DBADRM C[C@H]1CS(=O)(=O)CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001604822808 1018456980 /nfs/dbraw/zinc/45/69/80/1018456980.db2.gz CVYBDAPYQKCPEG-AEJSXWLSSA-N -1 0 305.352 -0.346 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCN2CCO[C@@H](C)C2)O[C@H]1C(=O)[O-] ZINC001604795975 1018453319 /nfs/dbraw/zinc/45/33/19/1018453319.db2.gz ITAROBAWXSQJGB-WRWGMCAJSA-N -1 0 300.355 -0.299 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCS(=O)(=O)C[C@H](C)C1)C(=O)[O-] ZINC001604803667 1018453996 /nfs/dbraw/zinc/45/39/96/1018453996.db2.gz UGLCSGLSPLXGRN-BDAKNGLRSA-N -1 0 313.397 -0.597 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN(CCO)C[C@@H]2C)O[C@H]1C(=O)[O-] ZINC001604798382 1018454102 /nfs/dbraw/zinc/45/41/02/1018454102.db2.gz UNAZXHBYZAKVBA-WRWGMCAJSA-N -1 0 300.355 -0.610 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCS(=O)(=O)C[C@@H](C)C1)C(=O)[O-] ZINC001604803673 1018454116 /nfs/dbraw/zinc/45/41/16/1018454116.db2.gz UGLCSGLSPLXGRN-IUCAKERBSA-N -1 0 313.397 -0.597 20 0 DBADRM C[C@@H]1CN(CCN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C[C@H](C)O1 ZINC001604797273 1018454170 /nfs/dbraw/zinc/45/41/70/1018454170.db2.gz VAWKWIPDFHKQFU-GRYCIOLGSA-N -1 0 320.411 -0.721 20 0 DBADRM C[C@@H]1CN(CC[S@](C)=O)[C@H](C(=O)[O-])CN1CC[S@](C)=O ZINC001604798648 1018454176 /nfs/dbraw/zinc/45/41/76/1018454176.db2.gz WGFNSVPCHKWTFD-JNYDRABISA-N -1 0 324.468 -0.797 20 0 DBADRM COc1ccc(F)cc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001604806227 1018454314 /nfs/dbraw/zinc/45/43/14/1018454314.db2.gz KXODWRCZAHEURN-CYBMUJFWSA-N -1 0 314.269 -0.275 20 0 DBADRM C[C@@H]1CN(CCO)CCN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001604795788 1018454326 /nfs/dbraw/zinc/45/43/26/1018454326.db2.gz FRLUHBKQILXFAO-FRRDWIJNSA-N -1 0 314.382 -0.219 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1CCNC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001604796152 1018454530 /nfs/dbraw/zinc/45/45/30/1018454530.db2.gz NCLKMTIAYHFHKO-MNOVXSKESA-N -1 0 310.354 -0.193 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CC(C)(C)C(=O)[O-])[C@H](C)CN1CCO ZINC001604802861 1018454599 /nfs/dbraw/zinc/45/45/99/1018454599.db2.gz OADPTVZZNHGPST-GHMZBOCLSA-N -1 0 322.427 -0.186 20 0 DBADRM C[C@@H]1COC[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001604818430 1018455916 /nfs/dbraw/zinc/45/59/16/1018455916.db2.gz XPRXZSIRURCMQR-JKCCIXDMSA-N -1 0 310.350 -0.247 20 0 DBADRM C[C@H]1COCC[C@@H]1CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604818852 1018455973 /nfs/dbraw/zinc/45/59/73/1018455973.db2.gz LUXXRJRPVOSBFW-WDEREUQCSA-N -1 0 315.370 -0.061 20 0 DBADRM C[C@@H]1COCC[C@H]1NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604819816 1018456969 /nfs/dbraw/zinc/45/69/69/1018456969.db2.gz TWDXHJACWBDPCV-NXEZZACHSA-N -1 0 301.343 -0.308 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1C(=O)COCc1ocnc1C(=O)[O-] ZINC001604816757 1018457027 /nfs/dbraw/zinc/45/70/27/1018457027.db2.gz JEQYLVYGDPWYED-RKDXNWHRSA-N -1 0 314.294 -0.502 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001604827793 1018457904 /nfs/dbraw/zinc/45/79/04/1018457904.db2.gz MTRQDHNYOYWDNA-LYFYHCNISA-N -1 0 316.339 -0.606 20 0 DBADRM C[C@H]1OCC[C@@]12CN(S(=O)(=O)N(C)CCC(=O)[O-])CCO2 ZINC001604835347 1018458811 /nfs/dbraw/zinc/45/88/11/1018458811.db2.gz RTQNFWGTUSLGSQ-ZYHUDNBSSA-N -1 0 322.383 -0.483 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001604824279 1018459067 /nfs/dbraw/zinc/45/90/67/1018459067.db2.gz XIYGPHPYCJGFBR-JTQLQIEISA-N -1 0 316.325 -0.144 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001604834550 1018459128 /nfs/dbraw/zinc/45/91/28/1018459128.db2.gz LPBGOQGZPNUCAC-XVKPBYJWSA-N -1 0 316.339 -0.660 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)NC[C@@H](C(=O)[O-])[C@@H]3CCOC3)cc2CN1 ZINC001604828382 1018459329 /nfs/dbraw/zinc/45/93/29/1018459329.db2.gz VCHWZRGGNRVZQN-CKYFFXLPSA-N -1 0 322.365 -0.158 20 0 DBADRM COc1ccc2c(c1)CN(C(=O)C(=O)NCCOCC(=O)[O-])C2 ZINC001604843809 1018460785 /nfs/dbraw/zinc/46/07/85/1018460785.db2.gz VYEIPCBRBHQOAG-UHFFFAOYSA-N -1 0 322.317 -0.245 20 0 DBADRM C[C@H]1OCCN(C(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)[C@H]1C ZINC001604838175 1018461256 /nfs/dbraw/zinc/46/12/56/1018461256.db2.gz RCSDMNVZMQROJE-MMWGEVLESA-N -1 0 314.338 -0.677 20 0 DBADRM C/C=C\C[C@@H](CO)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001604850776 1018464120 /nfs/dbraw/zinc/46/41/20/1018464120.db2.gz HHJOXZMRCOVAEJ-KXEGTFGRSA-N -1 0 301.343 -0.410 20 0 DBADRM CCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](COC)C(=O)[O-] ZINC001604859639 1018468323 /nfs/dbraw/zinc/46/83/23/1018468323.db2.gz KRLMXPNPEXIVFF-IUCAKERBSA-N -1 0 306.384 -0.150 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])C1 ZINC001604860609 1018468566 /nfs/dbraw/zinc/46/85/66/1018468566.db2.gz VCOYACAYVGWMDL-UMNHJUIQSA-N -1 0 313.354 -0.214 20 0 DBADRM CC[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])N1CCCC1=O ZINC001604870346 1018470984 /nfs/dbraw/zinc/47/09/84/1018470984.db2.gz ZHSYOIMYILOQPU-WDEREUQCSA-N -1 0 308.338 -0.077 20 0 DBADRM CC[C@@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])N1CCCC1=O ZINC001604868354 1018471192 /nfs/dbraw/zinc/47/11/92/1018471192.db2.gz HRNRJTKQEJTVHD-UWVGGRQHSA-N -1 0 309.326 -0.752 20 0 DBADRM CC[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-])[C@@H](C)O ZINC001604867697 1018472859 /nfs/dbraw/zinc/47/28/59/1018472859.db2.gz BDFYBARDVOWFJR-BBBLOLIVSA-N -1 0 307.368 -0.506 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001604869753 1018473121 /nfs/dbraw/zinc/47/31/21/1018473121.db2.gz XHXWYQLXOCGFCU-QWRGUYRKSA-N -1 0 320.411 -0.326 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(CCOC(C)C)C2)c1[O-] ZINC001500814501 1018474585 /nfs/dbraw/zinc/47/45/85/1018474585.db2.gz BFWMZDCLKDAIDY-UHFFFAOYSA-N -1 0 312.370 -0.375 20 0 DBADRM CNC(=O)CCCNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001604879706 1018475201 /nfs/dbraw/zinc/47/52/01/1018475201.db2.gz CAVZOMRHTRYWIC-UHFFFAOYSA-N -1 0 304.310 -0.172 20 0 DBADRM CC[C@H](C(=O)OC)C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001604888757 1018477707 /nfs/dbraw/zinc/47/77/07/1018477707.db2.gz RUWRXMDQRBHFIU-XHNCKOQMSA-N -1 0 301.295 -0.482 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)nc1 ZINC001604900874 1018480370 /nfs/dbraw/zinc/48/03/70/1018480370.db2.gz XBWTUZRCEBWNLN-IUCAKERBSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1cccnc1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001604898725 1018480483 /nfs/dbraw/zinc/48/04/83/1018480483.db2.gz ICDPISBXVJIWFQ-NSHDSACASA-N -1 0 323.305 -0.982 20 0 DBADRM COc1cncc(NC(=O)C(=O)N([C@H](C)C(=O)[O-])C2CC2)n1 ZINC001604900261 1018481387 /nfs/dbraw/zinc/48/13/87/1018481387.db2.gz HCROJFUDHKCRTF-SSDOTTSWSA-N -1 0 308.294 -0.112 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)OC ZINC001604915032 1018485081 /nfs/dbraw/zinc/48/50/81/1018485081.db2.gz RBDCENCOQJWSOR-SNVBAGLBSA-N -1 0 305.312 -0.272 20 0 DBADRM CS(=O)(=O)C1CN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC001604913705 1018485212 /nfs/dbraw/zinc/48/52/12/1018485212.db2.gz DXFMHFSMCBUUBW-SNVBAGLBSA-N -1 0 304.368 -0.074 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(C(=O)NCCCC(=O)[O-])CCO1 ZINC001604919957 1018486508 /nfs/dbraw/zinc/48/65/08/1018486508.db2.gz FHIPMFCTMRFSKD-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001604919997 1018487336 /nfs/dbraw/zinc/48/73/36/1018487336.db2.gz GOZZADREMPYIEL-CABZTGNLSA-N -1 0 320.367 -0.836 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001604920326 1018487812 /nfs/dbraw/zinc/48/78/12/1018487812.db2.gz QHZRLDAAOJVCPZ-QMMMGPOBSA-N -1 0 313.335 -0.319 20 0 DBADRM COC(=O)CC(C)(C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604926821 1018490353 /nfs/dbraw/zinc/49/03/53/1018490353.db2.gz BMZCNTXSZIHRMO-SSDOTTSWSA-N -1 0 322.329 -0.523 20 0 DBADRM CS(=O)(=O)NCCC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001604927592 1018490505 /nfs/dbraw/zinc/49/05/05/1018490505.db2.gz NXCAVTLKAFBQSG-UHFFFAOYSA-N -1 0 302.308 -0.032 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1C[C@@H]2C[C@H]1C[S@]2=O)C(=O)[O-] ZINC001604931228 1018493096 /nfs/dbraw/zinc/49/30/96/1018493096.db2.gz HTYHRIILVAKSGT-AATYHIEQSA-N -1 0 302.396 -0.193 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCO[C@H](CC(N)=O)C1)C(=O)[O-] ZINC001604932676 1018493491 /nfs/dbraw/zinc/49/34/91/1018493491.db2.gz PAZCQHKYWUNPMB-OPQQBVKSSA-N -1 0 315.370 -0.822 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2C(=O)[O-])nn1 ZINC001604939171 1018494087 /nfs/dbraw/zinc/49/40/87/1018494087.db2.gz LSDATYHAEBFPHZ-ZETCQYMHSA-N -1 0 314.323 -0.039 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2ccn(C)n2)c1 ZINC001604964597 1018498948 /nfs/dbraw/zinc/49/89/48/1018498948.db2.gz WQUYRKGLBHMJAO-UHFFFAOYSA-N -1 0 315.293 -0.403 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC001604960749 1018499449 /nfs/dbraw/zinc/49/94/49/1018499449.db2.gz NSWBSDUCDDVKFR-QMMMGPOBSA-N -1 0 318.355 -0.758 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)CCn1nc(C)oc1=O ZINC001604963411 1018499462 /nfs/dbraw/zinc/49/94/62/1018499462.db2.gz NSJDEFOZTJXTFD-MRVPVSSYSA-N -1 0 321.355 -0.340 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H](C)CCNc1cnc(-c2nn[nH]n2)cn1 ZINC001604999202 1018501517 /nfs/dbraw/zinc/50/15/17/1018501517.db2.gz AUIZCZIJRUZYSG-BDAKNGLRSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@H](C)C(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001604999263 1018502858 /nfs/dbraw/zinc/50/28/58/1018502858.db2.gz CYQCRDAEXSYYTP-PSASIEDQSA-N -1 0 321.341 -0.814 20 0 DBADRM CO[C@H](C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1)C(C)C ZINC001604993622 1018503416 /nfs/dbraw/zinc/50/34/16/1018503416.db2.gz KMUQJFNACWNWKN-JTQLQIEISA-N -1 0 320.357 -0.722 20 0 DBADRM C[C@@H](O)CCNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001604994288 1018503680 /nfs/dbraw/zinc/50/36/80/1018503680.db2.gz IQEZSPZSBLYDJV-NXEZZACHSA-N -1 0 301.343 -0.478 20 0 DBADRM CO[C@H](Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O)[C@@H]1CCOC1 ZINC001605011565 1018506187 /nfs/dbraw/zinc/50/61/87/1018506187.db2.gz DUEHKFOPAQDQOF-VXNVDRBHSA-N -1 0 308.298 -0.820 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CNC(=O)c1ncccc1O ZINC001605004975 1018506316 /nfs/dbraw/zinc/50/63/16/1018506316.db2.gz CTGQZBGJEPNPFR-RKDXNWHRSA-N -1 0 307.306 -0.019 20 0 DBADRM CCCC(=O)N[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001500898063 1018506593 /nfs/dbraw/zinc/50/65/93/1018506593.db2.gz MUYVYUKCVWDCSN-VIFPVBQESA-N -1 0 313.358 -0.254 20 0 DBADRM CO[C@@H]1CC[C@H](NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001605029493 1018508871 /nfs/dbraw/zinc/50/88/71/1018508871.db2.gz MDBQEPNYRSOASQ-XHNCKOQMSA-N -1 0 306.330 -0.297 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001605019083 1018509700 /nfs/dbraw/zinc/50/97/00/1018509700.db2.gz XLNVRHZTCILTOD-LNLATYFQSA-N -1 0 304.368 -0.411 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1COC(=O)N1)Nc1ccnc(C(=O)[O-])n1 ZINC001605026628 1018510241 /nfs/dbraw/zinc/51/02/41/1018510241.db2.gz FNAMSAPQFYPISC-JGVFFNPUSA-N -1 0 323.309 -0.988 20 0 DBADRM CO[C@H]1CC[C@@H](C)N(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001605026779 1018510269 /nfs/dbraw/zinc/51/02/69/1018510269.db2.gz PDEOYRFNYZDFDX-SFYZADRCSA-N -1 0 321.341 -0.743 20 0 DBADRM CC[C@H](CNC(=O)Cn1cccc(C(=O)[O-])c1=O)C(=O)OC ZINC001605032071 1018511170 /nfs/dbraw/zinc/51/11/70/1018511170.db2.gz BCADPWGSDMFJSL-SECBINFHSA-N -1 0 310.306 -0.138 20 0 DBADRM CC[C@@H](CNS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001605040666 1018515508 /nfs/dbraw/zinc/51/55/08/1018515508.db2.gz WRCPKKXJYGDJSU-WCBMZHEXSA-N -1 0 304.368 -0.220 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001605041307 1018515626 /nfs/dbraw/zinc/51/56/26/1018515626.db2.gz DRALAIDTGQPWJU-UWVGGRQHSA-N -1 0 319.383 -0.213 20 0 DBADRM CC[C@H](CNS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001605040665 1018516307 /nfs/dbraw/zinc/51/63/07/1018516307.db2.gz WRCPKKXJYGDJSU-SCZZXKLOSA-N -1 0 304.368 -0.220 20 0 DBADRM COCC(C)(C)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001605044670 1018516762 /nfs/dbraw/zinc/51/67/62/1018516762.db2.gz YAUKHRSRVJIDMF-UHFFFAOYSA-N -1 0 323.361 -0.570 20 0 DBADRM COC[C@H]1COCCN1Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001605073572 1018522290 /nfs/dbraw/zinc/52/22/90/1018522290.db2.gz HTXXCNSTOXGSJP-NSHDSACASA-N -1 0 320.353 -0.358 20 0 DBADRM COCCC(=O)NCCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001605074361 1018523046 /nfs/dbraw/zinc/52/30/46/1018523046.db2.gz DDKGVPSGIKTZRV-UHFFFAOYSA-N -1 0 306.330 -0.967 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)NCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001605089657 1018526872 /nfs/dbraw/zinc/52/68/72/1018526872.db2.gz JBGXVPNSLRSIHK-SNVBAGLBSA-N -1 0 323.353 -0.358 20 0 DBADRM COCCN(CCOC)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001605101175 1018526910 /nfs/dbraw/zinc/52/69/10/1018526910.db2.gz NSOYYXTUUIWPGY-SECBINFHSA-N -1 0 324.345 -0.859 20 0 DBADRM CC1C(=O)N=C(CCN(C)C(=O)[C@H]2CC(C(=O)[O-])=NO2)NC1=O ZINC001605093674 1018528275 /nfs/dbraw/zinc/52/82/75/1018528275.db2.gz NBEDNXDFYZBCIW-MRVPVSSYSA-N -1 0 324.293 -0.573 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@@H](CCOC)C(=O)[O-])nn1 ZINC001605114264 1018531626 /nfs/dbraw/zinc/53/16/26/1018531626.db2.gz PJKNSNYKUPXHQM-IUCAKERBSA-N -1 0 300.315 -0.732 20 0 DBADRM CCC1(C(=O)NCCN(CCO)C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001605133149 1018534689 /nfs/dbraw/zinc/53/46/89/1018534689.db2.gz IXGGMQFFTWIFBB-QWRGUYRKSA-N -1 0 312.366 -0.166 20 0 DBADRM CON(C)CCNS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001605142968 1018535340 /nfs/dbraw/zinc/53/53/40/1018535340.db2.gz WQSVXAKUVPZXJG-UHFFFAOYSA-N -1 0 318.384 -0.300 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)C(=O)[O-])C1=O ZINC001605136156 1018537178 /nfs/dbraw/zinc/53/71/78/1018537178.db2.gz XRURYVZRCGJXEG-SREIQFSDSA-N -1 0 300.267 -0.708 20 0 DBADRM CC[C@]1(C)NC(=O)N(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1=O ZINC001605135384 1018537683 /nfs/dbraw/zinc/53/76/83/1018537683.db2.gz MZSAJGRTINGGOB-ZYLINXARSA-N -1 0 313.310 -0.384 20 0 DBADRM CC[C@@H]1C(=O)N(CC)CCN1S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001605151761 1018539136 /nfs/dbraw/zinc/53/91/36/1018539136.db2.gz WLFVLAGDYNSFGZ-NXEZZACHSA-N -1 0 306.384 -0.020 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCO1 ZINC001605172218 1018541425 /nfs/dbraw/zinc/54/14/25/1018541425.db2.gz ZNACAAVPXUYISG-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM CC/C=C(/C)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001605182641 1018542754 /nfs/dbraw/zinc/54/27/54/1018542754.db2.gz SRRBFFOHGVFGLQ-BBYBGLFNSA-N -1 0 309.322 -0.051 20 0 DBADRM CCC[C@@H](C(=O)Nc1cc(C(=O)[O-])n(C)n1)S(N)(=O)=O ZINC001605194065 1018545406 /nfs/dbraw/zinc/54/54/06/1018545406.db2.gz UEJXJDXXOUGBIZ-ZETCQYMHSA-N -1 0 304.328 -0.486 20 0 DBADRM CCCC(=O)NCC(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001605191105 1018546014 /nfs/dbraw/zinc/54/60/14/1018546014.db2.gz UWGFUTLVSZETNC-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM CCCC(=O)N1CCN(C2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001605190731 1018546154 /nfs/dbraw/zinc/54/61/54/1018546154.db2.gz FEQKSRSLYNSMJY-STQMWFEESA-N -1 0 323.393 -0.138 20 0 DBADRM CCC[C@H](C(=O)N(CC(=O)[O-])C1CCOCC1)S(N)(=O)=O ZINC001605193121 1018546433 /nfs/dbraw/zinc/54/64/33/1018546433.db2.gz SIQDPMYRLSODHE-SNVBAGLBSA-N -1 0 322.383 -0.464 20 0 DBADRM CCC[C@@](C)(CO)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001605198340 1018548281 /nfs/dbraw/zinc/54/82/81/1018548281.db2.gz QOXQQAFNTNPHFE-ZDUSSCGKSA-N -1 0 303.359 -0.182 20 0 DBADRM COc1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)sn1 ZINC001605197749 1018548299 /nfs/dbraw/zinc/54/82/99/1018548299.db2.gz VHXCPHAKNPJRGE-UHFFFAOYSA-N -1 0 321.326 -0.647 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001605245736 1018549440 /nfs/dbraw/zinc/54/94/40/1018549440.db2.gz HZXGOZJOGPWBPD-GUBZILKMSA-N -1 0 301.343 -0.086 20 0 DBADRM CCCC[C@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001605242276 1018549978 /nfs/dbraw/zinc/54/99/78/1018549978.db2.gz YGPWGHUYYVUUJE-QWRGUYRKSA-N -1 0 320.411 -0.135 20 0 DBADRM CCCC[C@@H](C(=O)[O-])S(=O)(=O)[C@@H](C)C(=O)NC(=O)NC ZINC001605236252 1018551000 /nfs/dbraw/zinc/55/10/00/1018551000.db2.gz XRYOLLWDHUGFPT-YUMQZZPRSA-N -1 0 308.356 -0.111 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)nn1 ZINC001605306343 1018553677 /nfs/dbraw/zinc/55/36/77/1018553677.db2.gz IFZWSUAIPFURNA-UHFFFAOYSA-N -1 0 315.351 -0.055 20 0 DBADRM CCCCOC(=O)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001605281678 1018554325 /nfs/dbraw/zinc/55/43/25/1018554325.db2.gz KNKDFCKJHHSPKN-SNVBAGLBSA-N -1 0 314.338 -0.231 20 0 DBADRM CCCCCNC(=O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001605271771 1018554564 /nfs/dbraw/zinc/55/45/64/1018554564.db2.gz HTWIDYRXISWYCA-NSHDSACASA-N -1 0 320.411 -0.134 20 0 DBADRM CCCNC(=O)CCCN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001605331317 1018557851 /nfs/dbraw/zinc/55/78/51/1018557851.db2.gz PAZIFRWGRAKVAJ-NSHDSACASA-N -1 0 320.411 -0.134 20 0 DBADRM CCCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])nn2)C1 ZINC001605321707 1018558062 /nfs/dbraw/zinc/55/80/62/1018558062.db2.gz IIFPMGUWPNJNPZ-VXGBXAGGSA-N -1 0 307.354 -0.118 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCOCCOCC(=O)[O-])cn1 ZINC001605306598 1018558297 /nfs/dbraw/zinc/55/82/97/1018558297.db2.gz PNFVUPSZHVPNBI-UHFFFAOYSA-N -1 0 318.351 -0.214 20 0 DBADRM CCCNC(=O)[C@H](C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001605326215 1018558661 /nfs/dbraw/zinc/55/86/61/1018558661.db2.gz OMEWYJSCTYDMDN-VHSXEESVSA-N -1 0 313.354 -0.660 20 0 DBADRM CCCNC(=O)[C@@H](C)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001605326480 1018558739 /nfs/dbraw/zinc/55/87/39/1018558739.db2.gz WREFWFIPSDYFMO-OPRDCNLKSA-N -1 0 301.343 -0.310 20 0 DBADRM COc1cccc(CNC(=O)Cn2cnnc2-c2nnn[n-]2)c1 ZINC001605316993 1018559317 /nfs/dbraw/zinc/55/93/17/1018559317.db2.gz OSAQZAOZUPWAEY-UHFFFAOYSA-N -1 0 314.309 -0.217 20 0 DBADRM CCC[C@@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)C(=O)[O-] ZINC001605350047 1018563038 /nfs/dbraw/zinc/56/30/38/1018563038.db2.gz IBFGNVHBVFUXSI-SECBINFHSA-N -1 0 307.368 -0.050 20 0 DBADRM Cc1cnc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c(C)c1 ZINC001605374257 1018568119 /nfs/dbraw/zinc/56/81/19/1018568119.db2.gz YLMVCBJAUPMSNJ-LBPRGKRZSA-N -1 0 321.333 -0.373 20 0 DBADRM CCN(C(=O)Cn1cnc2c(cnn2C)c1=O)C(C)(C)C(=O)[O-] ZINC001605396368 1018571700 /nfs/dbraw/zinc/57/17/00/1018571700.db2.gz LITRGQJYFHKNRE-UHFFFAOYSA-N -1 0 321.337 -0.158 20 0 DBADRM CCCn1nnnc1CN1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001605391510 1018572026 /nfs/dbraw/zinc/57/20/26/1018572026.db2.gz SEFYUOOWGOVOSX-GHMZBOCLSA-N -1 0 322.369 -0.648 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001605394175 1018572159 /nfs/dbraw/zinc/57/21/59/1018572159.db2.gz HUUALGYIRRFTMT-WPRPVWTQSA-N -1 0 308.338 -0.096 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)NC/C=C\CO)cc1-c1nnn[n-]1 ZINC001605381590 1018572617 /nfs/dbraw/zinc/57/26/17/1018572617.db2.gz YFCXGYTZFGBXEB-IHWYPQMZSA-N -1 0 322.350 -0.033 20 0 DBADRM CCN(CC(=O)[O-])C(=O)/C=C(/C)C(=O)N(CC)CC(=O)OC ZINC001605414705 1018573625 /nfs/dbraw/zinc/57/36/25/1018573625.db2.gz JPQZTNQLYJYPGB-YFHOEESVSA-N -1 0 314.338 -0.113 20 0 DBADRM C[C@@H](NC(=O)NCCn1cnc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001605404698 1018573915 /nfs/dbraw/zinc/57/39/15/1018573915.db2.gz RXEHBWKBKBNGDU-RXMQYKEDSA-N -1 0 319.251 -0.292 20 0 DBADRM Cc1nc(CN2CCN([C@@H]3CCN(CC(=O)[O-])C3=O)CC2)no1 ZINC001605403405 1018574656 /nfs/dbraw/zinc/57/46/56/1018574656.db2.gz HWHRBHOQNVSPMJ-LLVKDONJSA-N -1 0 323.353 -0.819 20 0 DBADRM Cc1nc(Cl)ccc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001605408060 1018576515 /nfs/dbraw/zinc/57/65/15/1018576515.db2.gz FUPXWSBATWPAFK-GFCCVEGCSA-N -1 0 315.713 -0.066 20 0 DBADRM Cc1nccn1CCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001605424189 1018578321 /nfs/dbraw/zinc/57/83/21/1018578321.db2.gz NRMYXALIWHEWNY-NSHDSACASA-N -1 0 308.338 -0.369 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCCCC(=O)[O-])CC2 ZINC001605420657 1018578649 /nfs/dbraw/zinc/57/86/49/1018578649.db2.gz LEQOXUBOXBWRTE-SNVBAGLBSA-N -1 0 323.353 -0.611 20 0 DBADRM Cc1nccc(NC(=O)C(=O)N[C@H](C(=O)[O-])c2ccnn2C)n1 ZINC001605424312 1018580222 /nfs/dbraw/zinc/58/02/22/1018580222.db2.gz GNEDIWIYGVHXBT-JTQLQIEISA-N -1 0 318.293 -0.601 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001605432639 1018583721 /nfs/dbraw/zinc/58/37/21/1018583721.db2.gz VEYBSINEBNQMFL-UHFFFAOYSA-N -1 0 318.355 -0.272 20 0 DBADRM CCN(CCC(=O)NC)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001605438745 1018584437 /nfs/dbraw/zinc/58/44/37/1018584437.db2.gz LXJJKSWCLGZIOQ-UHFFFAOYSA-N -1 0 318.355 -0.886 20 0 DBADRM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@@H](C)CC(N)=O ZINC001605447704 1018585516 /nfs/dbraw/zinc/58/55/16/1018585516.db2.gz FPTCWBRCEVYGDO-VIFPVBQESA-N -1 0 323.353 -0.053 20 0 DBADRM Cc1nn(CN2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c(=O)o1 ZINC001605441023 1018585915 /nfs/dbraw/zinc/58/59/15/1018585915.db2.gz SZDFDTCJBQYOLB-SNVBAGLBSA-N -1 0 324.337 -0.500 20 0 DBADRM CCN(CCCO)C(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001605447068 1018585955 /nfs/dbraw/zinc/58/59/55/1018585955.db2.gz UZBYBNKNKLBQNC-UHFFFAOYSA-N -1 0 300.355 -0.023 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N1C[C@H]3COC[C@@]3(C(=O)[O-])C1)CC2 ZINC001605444630 1018586713 /nfs/dbraw/zinc/58/67/13/1018586713.db2.gz MXWGLGRMCJEHSK-PGUXBMHVSA-N -1 0 320.349 -0.291 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC001605441297 1018586924 /nfs/dbraw/zinc/58/69/24/1018586924.db2.gz RKHLOCNDDCRQOO-UHFFFAOYSA-N -1 0 312.351 -0.214 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)n1C ZINC001605441097 1018587200 /nfs/dbraw/zinc/58/72/00/1018587200.db2.gz OLYRNOLTHSWBLJ-PSASIEDQSA-N -1 0 323.353 -0.691 20 0 DBADRM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)Cn1cncn1 ZINC001605447706 1018587257 /nfs/dbraw/zinc/58/72/57/1018587257.db2.gz FQENJPNPJGOUHG-UHFFFAOYSA-N -1 0 319.325 -0.273 20 0 DBADRM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@@H](C)NC(C)=O ZINC001605448101 1018587290 /nfs/dbraw/zinc/58/72/90/1018587290.db2.gz STUMYXQGMYGYKH-SECBINFHSA-N -1 0 323.353 -0.040 20 0 DBADRM CCN(CCNC(=O)[C@H]1COC(=O)N1)c1ncc(C(=O)[O-])cn1 ZINC001605449871 1018589713 /nfs/dbraw/zinc/58/97/13/1018589713.db2.gz YGHAKSGNDQKPGY-SECBINFHSA-N -1 0 323.309 -0.774 20 0 DBADRM CCN(CCOCCO)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001605450248 1018589727 /nfs/dbraw/zinc/58/97/27/1018589727.db2.gz VDHISDOUCRNCCC-UHFFFAOYSA-N -1 0 318.351 -0.201 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(C[C@@H]2CCOC2)c(=O)n1C1CC1 ZINC001605463130 1018591913 /nfs/dbraw/zinc/59/19/13/1018591913.db2.gz QLMFCLNIRMHSQU-VIFPVBQESA-N -1 0 318.337 -0.130 20 0 DBADRM Cn1c2cc(NC(=O)NCC(=O)[O-])ccc2c(=O)n(C)c1=O ZINC001605467137 1018593049 /nfs/dbraw/zinc/59/30/49/1018593049.db2.gz CIJAICYYMICRQX-UHFFFAOYSA-N -1 0 306.278 -0.557 20 0 DBADRM CCN1C[C@@H](NC(=O)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])CC1=O ZINC001605470346 1018594614 /nfs/dbraw/zinc/59/46/14/1018594614.db2.gz RHNXXRGFAZHHDC-QMMMGPOBSA-N -1 0 322.321 -0.303 20 0 DBADRM Cn1c(=O)cc(N2CC[C@H](NC(=O)CCC(=O)[O-])C2)[nH]c1=O ZINC001605467221 1018594943 /nfs/dbraw/zinc/59/49/43/1018594943.db2.gz GRAVZUCKONCGQA-QMMMGPOBSA-N -1 0 310.310 -0.954 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)C1(C(=O)[O-])CCOCC1 ZINC001605473225 1018596381 /nfs/dbraw/zinc/59/63/81/1018596381.db2.gz JSCFMJHKDLLVIS-UHFFFAOYSA-N -1 0 300.340 -0.399 20 0 DBADRM CCN1CC[C@@H](OC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1=O ZINC001605472583 1018598308 /nfs/dbraw/zinc/59/83/08/1018598308.db2.gz SICNSNRMYDOCRU-NXEZZACHSA-N -1 0 312.322 -0.526 20 0 DBADRM Cn1c(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nnc1C1(O)CCC1 ZINC001605473144 1018598512 /nfs/dbraw/zinc/59/85/12/1018598512.db2.gz HNAOGRUKOYLLBN-NOZJJQNGSA-N -1 0 308.338 -0.276 20 0 DBADRM CCN1CCN(C(=O)C(=O)Nc2nn(C)cc2C(=O)[O-])C[C@H]1C ZINC001605479715 1018598666 /nfs/dbraw/zinc/59/86/66/1018598666.db2.gz GKAJDPSTHOCFLW-SECBINFHSA-N -1 0 323.353 -0.391 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605487416 1018599713 /nfs/dbraw/zinc/59/97/13/1018599713.db2.gz MLGZGISUCRDUPH-DTORHVGOSA-N -1 0 313.354 -0.756 20 0 DBADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(Cc3nc(=O)n(C)[nH]3)C2)cn1 ZINC001605488770 1018600311 /nfs/dbraw/zinc/60/03/11/1018600311.db2.gz MCEQVNQIEWHLHZ-VHSXEESVSA-N -1 0 320.353 -0.468 20 0 DBADRM CCN1CN(C(=O)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])CC1=O ZINC001605486672 1018600482 /nfs/dbraw/zinc/60/04/82/1018600482.db2.gz RPGGTOSDKIKTPR-UHFFFAOYSA-N -1 0 308.294 -0.392 20 0 DBADRM Cn1cc([C@@H]2CCCN([C@@H]3CCN(CC(=O)[O-])C3=O)C2)nn1 ZINC001605488154 1018600703 /nfs/dbraw/zinc/60/07/03/1018600703.db2.gz DQZUETWTKGMISQ-ZYHUDNBSSA-N -1 0 307.354 -0.320 20 0 DBADRM CCN1CCO[C@H](C(=O)N[C@H](Cc2cncs2)C(=O)[O-])C1 ZINC001605483106 1018602153 /nfs/dbraw/zinc/60/21/53/1018602153.db2.gz ZZXCTHAFGXUCFB-MNOVXSKESA-N -1 0 313.379 -0.024 20 0 DBADRM Cn1cc(C(N)=O)c(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)n1 ZINC001605483272 1018602490 /nfs/dbraw/zinc/60/24/90/1018602490.db2.gz GDFKPZHVRRILOE-SFYZADRCSA-N -1 0 310.310 -0.273 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)C[C@@H]3CC(=O)N3)C2)cn1 ZINC001605491518 1018603405 /nfs/dbraw/zinc/60/34/05/1018603405.db2.gz RIDTUAGIODIDOK-FOGDFJRCSA-N -1 0 320.349 -0.285 20 0 DBADRM CCNC(=O)[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)C(C)C ZINC001605496260 1018603803 /nfs/dbraw/zinc/60/38/03/1018603803.db2.gz VRCSBWAWDXAQKK-VIFPVBQESA-N -1 0 306.384 -0.069 20 0 DBADRM CCNC(=O)CC(=O)NCCN(CC)c1ncc(C(=O)[O-])cn1 ZINC001605490550 1018603933 /nfs/dbraw/zinc/60/39/33/1018603933.db2.gz UCTIMJGZPPCYPW-UHFFFAOYSA-N -1 0 323.353 -0.357 20 0 DBADRM CCNC(=O)CC(=O)NC1(C(=O)OC)CCC(C(=O)[O-])CC1 ZINC001605490089 1018603966 /nfs/dbraw/zinc/60/39/66/1018603966.db2.gz PSCCWOZABOUNLY-UHFFFAOYSA-N -1 0 314.338 -0.185 20 0 DBADRM CCNC(=O)CCC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001605490913 1018604072 /nfs/dbraw/zinc/60/40/72/1018604072.db2.gz YGNQLKXGSUVDDO-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM Cn1cc(CCC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cn1 ZINC001605491384 1018604271 /nfs/dbraw/zinc/60/42/71/1018604271.db2.gz YRKCAUZUUNNWDH-LBPRGKRZSA-N -1 0 322.365 -0.065 20 0 DBADRM Cc1c(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)nnn1C ZINC001605494635 1018605207 /nfs/dbraw/zinc/60/52/07/1018605207.db2.gz VRILBGRBLJYURF-ZCFIWIBFSA-N -1 0 303.290 -0.905 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001605493410 1018605688 /nfs/dbraw/zinc/60/56/88/1018605688.db2.gz VZUMFZNMMOCTKO-UHFFFAOYSA-N -1 0 309.322 -0.128 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)C[C@@H]3CC(=O)N3)C2)cn1 ZINC001605491522 1018605767 /nfs/dbraw/zinc/60/57/67/1018605767.db2.gz RIDTUAGIODIDOK-SCVCMEIPSA-N -1 0 320.349 -0.285 20 0 DBADRM CCOC(=O)[C@H](C)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001605507845 1018606528 /nfs/dbraw/zinc/60/65/28/1018606528.db2.gz IJDXPUJIXYTLJJ-FZMZJTMJSA-N -1 0 300.355 -0.201 20 0 DBADRM Cn1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)c(C(N)=O)n1 ZINC001605501428 1018608047 /nfs/dbraw/zinc/60/80/47/1018608047.db2.gz CHUYGEWNLBJBTN-HTQZYQBOSA-N -1 0 310.310 -0.273 20 0 DBADRM CCOC(=O)[C@H](CC)C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001605509114 1018608443 /nfs/dbraw/zinc/60/84/43/1018608443.db2.gz QSOVSYVHQHSMPT-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC[C@@H](CO)C1 ZINC001605506808 1018608926 /nfs/dbraw/zinc/60/89/26/1018608926.db2.gz QZKIIHOFZLKPNJ-MRVPVSSYSA-N -1 0 304.310 -0.270 20 0 DBADRM CCOC(=O)C1(CC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CCC1 ZINC001605517372 1018609841 /nfs/dbraw/zinc/60/98/41/1018609841.db2.gz JVLFZRKVYMBROV-JTQLQIEISA-N -1 0 324.337 -0.029 20 0 DBADRM Cn1ccnc1[C@@H]1C[C@H](NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001605512628 1018609901 /nfs/dbraw/zinc/60/99/01/1018609901.db2.gz YCNMOVZCQXYVIE-DVVUODLYSA-N -1 0 322.321 -0.014 20 0 DBADRM Cn1cnc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1=O ZINC001605520148 1018609955 /nfs/dbraw/zinc/60/99/55/1018609955.db2.gz WVGSGDUAWDXEJU-LBPRGKRZSA-N -1 0 317.301 -0.088 20 0 DBADRM Cn1cnc(NC(=O)NCC2(C(=O)[O-])CCOCC2)cc1=O ZINC001605520039 1018610982 /nfs/dbraw/zinc/61/09/82/1018610982.db2.gz UCZXOGUTJWTMEQ-UHFFFAOYSA-N -1 0 310.310 -0.217 20 0 DBADRM CCOC(=O)[C@@](C)(O)CNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001605509636 1018611048 /nfs/dbraw/zinc/61/10/48/1018611048.db2.gz ZFMNUOAUPNXMQU-JTQLQIEISA-N -1 0 309.340 -0.773 20 0 DBADRM CCOC(=O)C1(CC(=O)NC[C@](C)(O)C(=O)[O-])CCOCC1 ZINC001605517401 1018611838 /nfs/dbraw/zinc/61/18/38/1018611838.db2.gz KJXWBCBSIOZBQJ-ZDUSSCGKSA-N -1 0 317.338 -0.312 20 0 DBADRM CCOC(=O)[C@H]1CN(Cn2nc(C(=O)[O-])ccc2=O)CCO1 ZINC001605530731 1018612950 /nfs/dbraw/zinc/61/29/50/1018612950.db2.gz DYNAXKDCTJEDSJ-SNVBAGLBSA-N -1 0 311.294 -0.837 20 0 DBADRM Cn1cncc1CCOC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001605522580 1018613618 /nfs/dbraw/zinc/61/36/18/1018613618.db2.gz FVGURLXAOLYLAF-LLVKDONJSA-N -1 0 309.322 -0.171 20 0 DBADRM CCOC(=O)[C@H]1CCCN(CC(=O)N[C@@](C)(CO)C(=O)[O-])C1 ZINC001605525645 1018613906 /nfs/dbraw/zinc/61/39/06/1018613906.db2.gz DFHGUGMAURETLF-HZMBPMFUSA-N -1 0 316.354 -0.787 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(CC(=O)NC[C@H](O)CC(=O)[O-])C1 ZINC001605526364 1018614131 /nfs/dbraw/zinc/61/41/31/1018614131.db2.gz NTEFWGPOOYLEOF-GHMZBOCLSA-N -1 0 316.354 -0.787 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001605532826 1018614506 /nfs/dbraw/zinc/61/45/06/1018614506.db2.gz JLEABBVPUPMLDR-SNVBAGLBSA-N -1 0 317.338 -0.312 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC001605533977 1018614565 /nfs/dbraw/zinc/61/45/65/1018614565.db2.gz OXDXOGVDGMMJBC-OKILXGFUSA-N -1 0 311.338 -0.429 20 0 DBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)Cn1cnc(C(=O)[O-])n1 ZINC001605524846 1018614840 /nfs/dbraw/zinc/61/48/40/1018614840.db2.gz RHFVQMBJDCQIJU-VIFPVBQESA-N -1 0 310.310 -0.080 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC001605538989 1018616719 /nfs/dbraw/zinc/61/67/19/1018616719.db2.gz GXLSHADOCDATSN-QWRGUYRKSA-N -1 0 316.354 -0.428 20 0 DBADRM CCOC(=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001605537670 1018616744 /nfs/dbraw/zinc/61/67/44/1018616744.db2.gz OEQICPYBTDEEEL-UHFFFAOYSA-N -1 0 311.294 -0.269 20 0 DBADRM CCOC(=O)CN(C)C(=O)COC(=O)c1ccnc(C(=O)[O-])c1 ZINC001605539671 1018616868 /nfs/dbraw/zinc/61/68/68/1018616868.db2.gz XCAQYQJSFBGIIR-UHFFFAOYSA-N -1 0 324.289 -0.042 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN1CCC(NS(C)(=O)=O)CC1 ZINC001605550066 1018618993 /nfs/dbraw/zinc/61/89/93/1018618993.db2.gz KKGLQOWDCZRNIQ-UHFFFAOYSA-N -1 0 316.383 -0.368 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001605545577 1018619101 /nfs/dbraw/zinc/61/91/01/1018619101.db2.gz OGXNGZZHZWYVGY-SECBINFHSA-N -1 0 322.321 -0.536 20 0 DBADRM CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)NCCOCC(=O)[O-])C[C@@H]21 ZINC001605563694 1018623652 /nfs/dbraw/zinc/62/36/52/1018623652.db2.gz UKPVARORWRIJAR-JFGNBEQYSA-N -1 0 314.338 -0.072 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001605558268 1018624335 /nfs/dbraw/zinc/62/43/35/1018624335.db2.gz CJNLUBWGUGEOPN-IWSPIJDZSA-N -1 0 301.295 -0.482 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1C(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001605559178 1018624402 /nfs/dbraw/zinc/62/44/02/1018624402.db2.gz YYMGDRXKRCGLAT-OPRDCNLKSA-N -1 0 315.322 -0.092 20 0 DBADRM Cn1nccc1[C@@H](NS(=O)(=O)N=S(C)(C)=O)C(=O)[O-] ZINC001605569646 1018624704 /nfs/dbraw/zinc/62/47/04/1018624704.db2.gz GHWXTSIIEYEAKU-SSDOTTSWSA-N -1 0 310.357 -0.892 20 0 DBADRM Cn1nccc1[C@H](NC(=O)c1cnc2n1CCOC2)C(=O)[O-] ZINC001605568484 1018625509 /nfs/dbraw/zinc/62/55/09/1018625509.db2.gz RTUUXSPGGFGJRF-NSHDSACASA-N -1 0 305.294 -0.298 20 0 DBADRM Cn1nnc(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)n1 ZINC001605570865 1018626489 /nfs/dbraw/zinc/62/64/89/1018626489.db2.gz ABOMNDHTEXSDOE-UHFFFAOYSA-N -1 0 322.256 -0.698 20 0 DBADRM CCOC(=O)c1cnc(N2CCC[C@H]2C(=O)NCC(=O)[O-])cn1 ZINC001605579836 1018627150 /nfs/dbraw/zinc/62/71/50/1018627150.db2.gz KPBBMINUGOUBDQ-JTQLQIEISA-N -1 0 322.321 -0.177 20 0 DBADRM Cn1nncc1CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605575810 1018628602 /nfs/dbraw/zinc/62/86/02/1018628602.db2.gz BDJWKQFYGDMIJD-JTQLQIEISA-N -1 0 324.341 -0.920 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O)CC2 ZINC001605571109 1018628674 /nfs/dbraw/zinc/62/86/74/1018628674.db2.gz KGIVWJYIUJLEMZ-LDYMZIIASA-N -1 0 322.321 -0.851 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC001605571565 1018628822 /nfs/dbraw/zinc/62/88/22/1018628822.db2.gz VNPHOUNIQGQNRN-HWKANZROSA-N -1 0 318.289 -0.151 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1nc(N)nc(N(C)C)n1 ZINC001605621035 1018634048 /nfs/dbraw/zinc/63/40/48/1018634048.db2.gz DWRRIEZJURESIM-SSDOTTSWSA-N -1 0 312.330 -0.919 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001605623841 1018634372 /nfs/dbraw/zinc/63/43/72/1018634372.db2.gz GQZXDFHWWJAQED-SECBINFHSA-N -1 0 309.326 -0.010 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CCS(=O)(=O)N(C)C ZINC001605618430 1018634557 /nfs/dbraw/zinc/63/45/57/1018634557.db2.gz JXHRHBOVGSGJDG-SECBINFHSA-N -1 0 310.372 -0.784 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)Cc1ccc(C(N)=O)nc1 ZINC001605620629 1018634836 /nfs/dbraw/zinc/63/48/36/1018634836.db2.gz NEMBECGTHIYLBE-NSHDSACASA-N -1 0 309.322 -0.329 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)N1CCS(=O)(=O)CC1 ZINC001605620916 1018635801 /nfs/dbraw/zinc/63/58/01/1018635801.db2.gz ZYPYNGGVZLGIJY-VIFPVBQESA-N -1 0 308.356 -0.742 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001605616958 1018635921 /nfs/dbraw/zinc/63/59/21/1018635921.db2.gz UJDAVMCIPBNWGA-VHSXEESVSA-N -1 0 307.368 -0.035 20 0 DBADRM NC(=O)[C@H]1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC001605627187 1018636935 /nfs/dbraw/zinc/63/69/35/1018636935.db2.gz WFPSWEBUUNUMAQ-MYQWFSQQSA-N -1 0 310.350 -0.162 20 0 DBADRM CCOC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCO1 ZINC001605626391 1018638605 /nfs/dbraw/zinc/63/86/05/1018638605.db2.gz VINTYXSHOWVTNZ-DCAQKATOSA-N -1 0 314.338 -0.770 20 0 DBADRM NC(=O)CCCCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605631906 1018638853 /nfs/dbraw/zinc/63/88/53/1018638853.db2.gz QTHXLDLTBGAIMU-SNVBAGLBSA-N -1 0 313.354 -0.386 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC001605626318 1018638929 /nfs/dbraw/zinc/63/89/29/1018638929.db2.gz ZZNBIYJYFNSISX-IUCAKERBSA-N -1 0 310.372 -0.786 20 0 DBADRM NC(=O)C[C@@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)C1CCOCC1 ZINC001605628179 1018638956 /nfs/dbraw/zinc/63/89/56/1018638956.db2.gz ZFPWNOIMFNWLFO-MRVPVSSYSA-N -1 0 310.310 -0.492 20 0 DBADRM CCOCCOCCN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001605639750 1018640313 /nfs/dbraw/zinc/64/03/13/1018640313.db2.gz RVUQJJKISVVRBZ-LLVKDONJSA-N -1 0 309.384 -0.387 20 0 DBADRM NC(=O)N1CCCN(C(=O)c2cccn(CC(=O)[O-])c2=O)CC1 ZINC001605635001 1018640387 /nfs/dbraw/zinc/64/03/87/1018640387.db2.gz YCLPTMFQQNJFNR-UHFFFAOYSA-N -1 0 322.321 -0.841 20 0 DBADRM NC(=O)c1ccc(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)o1 ZINC001605641456 1018640522 /nfs/dbraw/zinc/64/05/22/1018640522.db2.gz DWANYDGONDFPED-VIFPVBQESA-N -1 0 323.305 -0.682 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c1 ZINC001605635342 1018640801 /nfs/dbraw/zinc/64/08/01/1018640801.db2.gz UUQAYCPNHFMLLF-SECBINFHSA-N -1 0 322.321 -0.691 20 0 DBADRM NC(=O)c1ccc(/C=C\C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)o1 ZINC001605638414 1018641058 /nfs/dbraw/zinc/64/10/58/1018641058.db2.gz ARRLJEBLHGBTDH-GQPNGRKGSA-N -1 0 322.273 -0.380 20 0 DBADRM CCOCCOC[C@H](O)CNC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001605639966 1018641333 /nfs/dbraw/zinc/64/13/33/1018641333.db2.gz ZYANIMCXLYJHQW-SECBINFHSA-N -1 0 300.311 -0.143 20 0 DBADRM CCOCCO[C@H](C)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001605638139 1018641516 /nfs/dbraw/zinc/64/15/16/1018641516.db2.gz KRIGBFAXCNNGPM-NXEZZACHSA-N -1 0 302.327 -0.770 20 0 DBADRM NC(=O)c1cc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c[nH]1 ZINC001605639707 1018641662 /nfs/dbraw/zinc/64/16/62/1018641662.db2.gz WHQFREIYIPRIOV-VIFPVBQESA-N -1 0 322.321 -0.691 20 0 DBADRM NC(=O)c1csc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)n1 ZINC001605643242 1018642457 /nfs/dbraw/zinc/64/24/57/1018642457.db2.gz WZGFFEIZFDOQRQ-SNVBAGLBSA-N -1 0 300.296 -0.393 20 0 DBADRM NS(=O)(=O)CCCNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001605643588 1018642537 /nfs/dbraw/zinc/64/25/37/1018642537.db2.gz ZZDJUIFRXAYARX-RKDXNWHRSA-N -1 0 308.356 -0.949 20 0 DBADRM NS(=O)(=O)CCCC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001605643591 1018642665 /nfs/dbraw/zinc/64/26/65/1018642665.db2.gz ZZVFZDNXJZSPNT-UHFFFAOYSA-N -1 0 322.383 -0.463 20 0 DBADRM CCON(C)C(=O)CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001605647003 1018642689 /nfs/dbraw/zinc/64/26/89/1018642689.db2.gz KSHMCJAHXOLJPB-UHFFFAOYSA-N -1 0 317.323 -0.532 20 0 DBADRM CCO[C@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001605651999 1018642718 /nfs/dbraw/zinc/64/27/18/1018642718.db2.gz IHQLISYSDYKARO-GMTAPVOTSA-N -1 0 314.338 -0.628 20 0 DBADRM NS(=O)(=O)CCCNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001605643587 1018643087 /nfs/dbraw/zinc/64/30/87/1018643087.db2.gz ZZDJUIFRXAYARX-IUCAKERBSA-N -1 0 308.356 -0.949 20 0 DBADRM CCOCc1nc([C@@H](C)NC(=O)Cn2cc(C(=O)[O-])nn2)no1 ZINC001605644417 1018643171 /nfs/dbraw/zinc/64/31/71/1018643171.db2.gz HSOIQXAVLPGJDI-SSDOTTSWSA-N -1 0 324.297 -0.227 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CC1 ZINC001605643395 1018643302 /nfs/dbraw/zinc/64/33/02/1018643302.db2.gz SHERTMYVFFTOGP-RKDXNWHRSA-N -1 0 320.367 -0.806 20 0 DBADRM CCO[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)C1 ZINC001605652082 1018643560 /nfs/dbraw/zinc/64/35/60/1018643560.db2.gz JXQSJYGTGLTIKA-BHDSKKPTSA-N -1 0 314.338 -0.628 20 0 DBADRM Nc1nnc(SCCS(=O)(=O)CC(=O)[O-])n1C1CC1 ZINC001605660132 1018645058 /nfs/dbraw/zinc/64/50/58/1018645058.db2.gz HPPPRLAKLCXUGO-UHFFFAOYSA-N -1 0 306.369 -0.213 20 0 DBADRM O=C([O-])c1cncc(NC(=O)CCn2cc[nH]c(=O)c2=O)c1 ZINC001605689268 1018645549 /nfs/dbraw/zinc/64/55/49/1018645549.db2.gz DHUINMGPEUTQBW-UHFFFAOYSA-N -1 0 304.262 -0.341 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CCCN1C(=O)CCC1=O)C2 ZINC001605676000 1018645848 /nfs/dbraw/zinc/64/58/48/1018645848.db2.gz ITAVXBIJJWWHQI-BONVTDFDSA-N -1 0 324.333 -0.525 20 0 DBADRM Nc1nc(Cl)ccc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001605655445 1018646147 /nfs/dbraw/zinc/64/61/47/1018646147.db2.gz MSUFFCBUZOWJPB-UHFFFAOYSA-N -1 0 312.713 -0.314 20 0 DBADRM O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001605669635 1018646240 /nfs/dbraw/zinc/64/62/40/1018646240.db2.gz MGGCVGRPYHUFTF-RAWPJBQPSA-N -1 0 324.333 -0.432 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 ZINC001605659861 1018646601 /nfs/dbraw/zinc/64/66/01/1018646601.db2.gz AQWGMYOWEXESEB-AUTRQRHGSA-N -1 0 303.336 -0.877 20 0 DBADRM CCOc1ccc(S(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-])cn1 ZINC001605698778 1018648450 /nfs/dbraw/zinc/64/84/50/1018648450.db2.gz JHGYVXXWLSDVGS-SNVBAGLBSA-N -1 0 318.351 -0.017 20 0 DBADRM CCOc1ccc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])cn1 ZINC001605699270 1018648828 /nfs/dbraw/zinc/64/88/28/1018648828.db2.gz RPPDBPACAWOWBK-MRVPVSSYSA-N -1 0 304.324 -0.406 20 0 DBADRM CCOc1ncccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001605721731 1018651612 /nfs/dbraw/zinc/65/16/12/1018651612.db2.gz BVKKMRRPJPTAER-SNVBAGLBSA-N -1 0 307.306 -0.104 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)O[C@@H](C)C(=O)C(=O)[O-])C1 ZINC001605725891 1018651661 /nfs/dbraw/zinc/65/16/61/1018651661.db2.gz KXVVEVZUJHEPBG-DTWKUNHWSA-N -1 0 321.351 -0.367 20 0 DBADRM CCS(=O)(=O)CCN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001605726811 1018651797 /nfs/dbraw/zinc/65/17/97/1018651797.db2.gz LFTXJJGSMMIQKM-CYBMUJFWSA-N -1 0 320.411 -0.718 20 0 DBADRM CCS(=O)(=O)N1CCN([C@@H](CCC(=O)OC)C(=O)[O-])CC1 ZINC001605726192 1018651806 /nfs/dbraw/zinc/65/18/06/1018651806.db2.gz OPVYEKVOKRVSEQ-JTQLQIEISA-N -1 0 322.383 -0.640 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001605725008 1018652373 /nfs/dbraw/zinc/65/23/73/1018652373.db2.gz DNGVYLJLNGJFOL-HTQZYQBOSA-N -1 0 310.397 -0.657 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001605727096 1018652387 /nfs/dbraw/zinc/65/23/87/1018652387.db2.gz YICMMEOOJCZKLC-SSDOTTSWSA-N -1 0 314.310 -0.411 20 0 DBADRM CCS(=O)(=O)N1CCN(c2nc(C)cc(C(=O)[O-])n2)CC1 ZINC001605725007 1018652672 /nfs/dbraw/zinc/65/26/72/1018652672.db2.gz DMYAPEYBNCKXSH-UHFFFAOYSA-N -1 0 314.367 -0.045 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)CCc1ocnc1C(=O)[O-] ZINC001605727910 1018652696 /nfs/dbraw/zinc/65/26/96/1018652696.db2.gz QWBDFGJVJRGQPJ-UHFFFAOYSA-N -1 0 319.339 -0.639 20 0 DBADRM CCS(=O)(=O)N1CCN(C[C@@H]2[C@H](C(=O)[O-])C2(F)F)CC1 ZINC001605726187 1018652811 /nfs/dbraw/zinc/65/28/11/1018652811.db2.gz OLMFWENFMVRAEV-RKDXNWHRSA-N -1 0 312.338 -0.080 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CCSC[C@H]1C(=O)[O-] ZINC001605725010 1018653058 /nfs/dbraw/zinc/65/30/58/1018653058.db2.gz DNGVYLJLNGJFOL-SFYZADRCSA-N -1 0 310.397 -0.657 20 0 DBADRM CCS(=O)(=O)NCC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001605728157 1018655790 /nfs/dbraw/zinc/65/57/90/1018655790.db2.gz ZQSZRHAYOKOCSA-UHFFFAOYSA-N -1 0 304.324 -0.158 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC001605742620 1018656044 /nfs/dbraw/zinc/65/60/44/1018656044.db2.gz BVOADDOWMKNAOT-SCZZXKLOSA-N -1 0 310.310 -0.722 20 0 DBADRM CC[S@](=O)CCNC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001605736851 1018656142 /nfs/dbraw/zinc/65/61/42/1018656142.db2.gz RPPDYNCJFGAQIL-SYLNSOGPSA-N -1 0 320.367 -0.730 20 0 DBADRM CCS(=O)(=O)c1ccccc1CC(=O)N[C@H](CO)C(=O)[O-] ZINC001605734373 1018657068 /nfs/dbraw/zinc/65/70/68/1018657068.db2.gz JEUXWAXSIDBRCB-SNVBAGLBSA-N -1 0 315.347 -0.416 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CCOC[C@@H]2CCO)CCOCC1 ZINC001605761182 1018658312 /nfs/dbraw/zinc/65/83/12/1018658312.db2.gz VPEKCACZPPAFRW-NSHDSACASA-N -1 0 316.354 -0.339 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001605764347 1018658381 /nfs/dbraw/zinc/65/83/81/1018658381.db2.gz AELLUCTXLZJHNK-PTRXPTGYSA-N -1 0 320.367 -0.912 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@@]23COC(=O)N2CCOC3)cn1 ZINC001605764705 1018660053 /nfs/dbraw/zinc/66/00/53/1018660053.db2.gz LQXXCPRNECVJOT-CQSZACIVSA-N -1 0 321.289 -0.269 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)C(=O)N(CCO)C2CC2)c1 ZINC001605800899 1018662099 /nfs/dbraw/zinc/66/20/99/1018662099.db2.gz OEWJLQNGXJQHOP-UHFFFAOYSA-N -1 0 306.318 -0.016 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001605791273 1018663087 /nfs/dbraw/zinc/66/30/87/1018663087.db2.gz QNWHLPMKORYUGN-LLVKDONJSA-N -1 0 316.321 -0.499 20 0 DBADRM CCc1cc(NC(=O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)n(C)n1 ZINC001605799854 1018663258 /nfs/dbraw/zinc/66/32/58/1018663258.db2.gz RNVHTGVQMROZJK-CQSZACIVSA-N -1 0 324.337 -0.329 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCSC[C@H]1CCO ZINC001605837563 1018664312 /nfs/dbraw/zinc/66/43/12/1018664312.db2.gz VAQPKBUDSKXHKU-OPRDCNLKSA-N -1 0 316.379 -0.708 20 0 DBADRM CCc1ccncc1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001605836092 1018665582 /nfs/dbraw/zinc/66/55/82/1018665582.db2.gz BIWBQBSIFPWYKY-MNOVXSKESA-N -1 0 321.333 -0.124 20 0 DBADRM O=C([O-])c1cc(NC(=O)c2cn(C[C@H]3CCOC3)nn2)[nH]n1 ZINC001605844787 1018665618 /nfs/dbraw/zinc/66/56/18/1018665618.db2.gz FXIDZNQKKGIPQK-SSDOTTSWSA-N -1 0 306.282 -0.012 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001605861112 1018665949 /nfs/dbraw/zinc/66/59/49/1018665949.db2.gz JMSVSEIXQDKLMO-GXSJLCMTSA-N -1 0 322.321 -0.586 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@H](C2OCCO2)C1 ZINC001605837575 1018666929 /nfs/dbraw/zinc/66/69/29/1018666929.db2.gz WVSBZCMXCLTINY-GUBZILKMSA-N -1 0 312.322 -0.813 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NC(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)C1 ZINC001605837540 1018667129 /nfs/dbraw/zinc/66/71/29/1018667129.db2.gz QHHBTKIFVPBQAT-RJVLYZLMSA-N -1 0 319.317 -0.063 20 0 DBADRM CCc1nnc(CNC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)[nH]1 ZINC001605850187 1018667334 /nfs/dbraw/zinc/66/73/34/1018667334.db2.gz DEPQCNMYRXXTIU-LKFCYVNXSA-N -1 0 323.353 0.000 20 0 DBADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)ccn1 ZINC001605867997 1018668359 /nfs/dbraw/zinc/66/83/59/1018668359.db2.gz CCLIRWMQOYPIQY-SNVBAGLBSA-N -1 0 322.321 -0.115 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC(O)(COC)C1 ZINC001605884174 1018669300 /nfs/dbraw/zinc/66/93/00/1018669300.db2.gz XCRWOQNSHGHVKB-UHFFFAOYSA-N -1 0 319.335 -0.078 20 0 DBADRM CCc1noc(CN2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001605877662 1018669402 /nfs/dbraw/zinc/66/94/02/1018669402.db2.gz PVIUYDLOEOBWOF-UWVGGRQHSA-N -1 0 308.338 -0.005 20 0 DBADRM O=C([O-])C(=O)COC(=O)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC001605880684 1018669487 /nfs/dbraw/zinc/66/94/87/1018669487.db2.gz KDYPIUHPXQBGFI-UHFFFAOYSA-N -1 0 315.241 -0.014 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N[C@@H](CO)CC2CC2)c1 ZINC001605870824 1018669511 /nfs/dbraw/zinc/66/95/11/1018669511.db2.gz FTFGOVUQXGGTDN-LLVKDONJSA-N -1 0 307.306 -0.005 20 0 DBADRM CCc1noc(NC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])n1 ZINC001605877850 1018669647 /nfs/dbraw/zinc/66/96/47/1018669647.db2.gz SIVILISEGZONMW-SSDOTTSWSA-N -1 0 311.298 -0.171 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1COC[C@H]1O ZINC001605884098 1018669932 /nfs/dbraw/zinc/66/99/32/1018669932.db2.gz VCQMEEQDRRRORB-HTQZYQBOSA-N -1 0 319.335 -0.080 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC[C@@H]2CO)c(-c2nn[nH]n2)c1 ZINC001605882278 1018670334 /nfs/dbraw/zinc/67/03/34/1018670334.db2.gz PIJPBRDEFXVHBQ-SECBINFHSA-N -1 0 309.351 -0.070 20 0 DBADRM CCn1c(C[S@@](C)=O)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001605905828 1018671275 /nfs/dbraw/zinc/67/12/75/1018671275.db2.gz GWOVBHLKHQGGPW-KRNBLGIKSA-N -1 0 316.383 -0.145 20 0 DBADRM CCn1cc(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])cn1 ZINC001605918765 1018674136 /nfs/dbraw/zinc/67/41/36/1018674136.db2.gz QSENLXXWCXDXHB-UHFFFAOYSA-N -1 0 324.381 -0.309 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)ccc1=O ZINC001605922258 1018674269 /nfs/dbraw/zinc/67/42/69/1018674269.db2.gz XZLSETZSUJIAEP-MWLCHTKSSA-N -1 0 321.333 -0.014 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)CCOCC1 ZINC001605923270 1018674902 /nfs/dbraw/zinc/67/49/02/1018674902.db2.gz YODNLQQBLPWNGJ-RTCCRHLQSA-N -1 0 301.339 -0.352 20 0 DBADRM O=C([O-])C1(C(=O)Nc2c[nH][nH]c2=O)CCS(=O)(=O)CC1 ZINC001605934287 1018677176 /nfs/dbraw/zinc/67/71/76/1018677176.db2.gz DPDASPHWWDQKML-UHFFFAOYSA-N -1 0 303.296 -0.667 20 0 DBADRM CCn1cccc(CNS(=O)(=O)N(C)CCC(=O)[O-])c1=O ZINC001605927503 1018677641 /nfs/dbraw/zinc/67/76/41/1018677641.db2.gz KPCUJTXVGBPNHJ-UHFFFAOYSA-N -1 0 317.367 -0.391 20 0 DBADRM CCn1nc(C)c(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])n1 ZINC001605939571 1018677848 /nfs/dbraw/zinc/67/78/48/1018677848.db2.gz DLFBFKNDHFBDGY-JTQLQIEISA-N -1 0 316.383 -0.320 20 0 DBADRM CCn1ccc(NC(=O)C(=O)N[C@]2(CC(=O)[O-])CCOC2)n1 ZINC001605927607 1018677860 /nfs/dbraw/zinc/67/78/60/1018677860.db2.gz MIUDOHDZFXAUJD-ZDUSSCGKSA-N -1 0 310.310 -0.409 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])n1 ZINC001605939681 1018678011 /nfs/dbraw/zinc/67/80/11/1018678011.db2.gz JITRSFWYDVAACY-JTQLQIEISA-N -1 0 323.353 -0.312 20 0 DBADRM CCn1nncc1C(=O)N(C)CCNc1ccnc(C(=O)[O-])n1 ZINC001605947001 1018679404 /nfs/dbraw/zinc/67/94/04/1018679404.db2.gz OVGHXAKEJDVEOS-UHFFFAOYSA-N -1 0 319.325 -0.608 20 0 DBADRM CCn1ncc(CN2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001605940802 1018679593 /nfs/dbraw/zinc/67/95/93/1018679593.db2.gz GMKHXEDLSVZVNO-NEPJUHHUSA-N -1 0 307.354 -0.433 20 0 DBADRM CCn1nncc1C(=O)NCCCNc1ccnc(C(=O)[O-])n1 ZINC001605946801 1018679665 /nfs/dbraw/zinc/67/96/65/1018679665.db2.gz GGAKTNSDQLKNRG-UHFFFAOYSA-N -1 0 319.325 -0.560 20 0 DBADRM CCn1ncc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001605941136 1018679967 /nfs/dbraw/zinc/67/99/67/1018679967.db2.gz OFPKNEUSDFVQCG-FSZOTQKASA-N -1 0 307.354 -0.245 20 0 DBADRM CCn1ncc(CNC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)n1 ZINC001605940864 1018680172 /nfs/dbraw/zinc/68/01/72/1018680172.db2.gz IERPGGAELHPECA-NSHDSACASA-N -1 0 311.342 -0.335 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001605947184 1018680469 /nfs/dbraw/zinc/68/04/69/1018680469.db2.gz YSJYYUZIEUTXFK-WCBMZHEXSA-N -1 0 309.326 -0.764 20 0 DBADRM CCn1ncc(CN2C(=O)[C@@H]3C[C@H](C(=O)[O-])CCN3C2=O)n1 ZINC001605941126 1018680492 /nfs/dbraw/zinc/68/04/92/1018680492.db2.gz OCEMJRYLNNQIHN-SCZZXKLOSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1nccc1NC(=O)C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001605945158 1018680604 /nfs/dbraw/zinc/68/06/04/1018680604.db2.gz BMIUYZWGYDCZKG-ZDUSSCGKSA-N -1 0 310.310 -0.409 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2ncccc2O)C1 ZINC001605957601 1018681139 /nfs/dbraw/zinc/68/11/39/1018681139.db2.gz UKYCSFLSMATHHP-UWVGGRQHSA-N -1 0 319.317 -0.209 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cn(C)cn2)C1 ZINC001605957824 1018682319 /nfs/dbraw/zinc/68/23/19/1018682319.db2.gz UZNGXLOCEKJMCZ-NXEZZACHSA-N -1 0 306.322 -0.576 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001605957519 1018682946 /nfs/dbraw/zinc/68/29/46/1018682946.db2.gz RPSVKHZTZJNUAI-BDAKNGLRSA-N -1 0 322.321 -0.871 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)C1 ZINC001605967087 1018684495 /nfs/dbraw/zinc/68/44/95/1018684495.db2.gz FOUZATWHKHIQDO-ZJUUUORDSA-N -1 0 316.335 -0.749 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(Cc2nnnn2C2CC2)C1 ZINC001605957875 1018684869 /nfs/dbraw/zinc/68/48/69/1018684869.db2.gz WKOMSHPPYVPLLM-WDEREUQCSA-N -1 0 320.353 -0.629 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NC[C@H]2CC3(CO2)CCOCC3)C1 ZINC001605966593 1018685776 /nfs/dbraw/zinc/68/57/76/1018685776.db2.gz AMWIYYJPHRSTED-KOLCDFICSA-N -1 0 312.322 -0.082 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2ccn(C)n2)C1 ZINC001605958208 1018685887 /nfs/dbraw/zinc/68/58/87/1018685887.db2.gz XKNFVDGPNHMYAH-NXEZZACHSA-N -1 0 306.322 -0.576 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(Cc2nnnn2C2CC2)C1 ZINC001605957873 1018686207 /nfs/dbraw/zinc/68/62/07/1018686207.db2.gz WKOMSHPPYVPLLM-MNOVXSKESA-N -1 0 320.353 -0.629 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)CC3COC3)CC2)C1 ZINC001605974631 1018687462 /nfs/dbraw/zinc/68/74/62/1018687462.db2.gz UFZZSMZUGNNOSP-NSHDSACASA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3ncc[nH]3)CC2)C1 ZINC001605973830 1018687700 /nfs/dbraw/zinc/68/77/00/1018687700.db2.gz GRFDKVGSSYUKSD-SECBINFHSA-N -1 0 306.322 -0.053 20 0 DBADRM CN(C)C(=O)[C@@](C)(NC(=O)COCC(=O)[O-])C(F)(F)F ZINC001605991128 1018688228 /nfs/dbraw/zinc/68/82/28/1018688228.db2.gz IMBSLZYPASXNFQ-SECBINFHSA-N -1 0 300.233 -0.387 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC001605991711 1018688706 /nfs/dbraw/zinc/68/87/06/1018688706.db2.gz SSGXLVIDGCTCHW-UHFFFAOYSA-N -1 0 323.353 -0.062 20 0 DBADRM CN(C(=O)c1cnc[nH]c1=O)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605977836 1018688764 /nfs/dbraw/zinc/68/87/64/1018688764.db2.gz UQBULQZPPLXRPV-IUCAKERBSA-N -1 0 320.305 -0.814 20 0 DBADRM CN(C(=O)c1ccnn1C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001605985554 1018689198 /nfs/dbraw/zinc/68/91/98/1018689198.db2.gz VOFPRLVDLYDOMT-NXEZZACHSA-N -1 0 306.322 -0.576 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@H](O)C(F)(F)C2)C1 ZINC001606000341 1018690030 /nfs/dbraw/zinc/69/00/30/1018690030.db2.gz ZHPVRCMIOVIMMW-YUMQZZPRSA-N -1 0 306.265 -0.852 20 0 DBADRM CN(C)C(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001605995153 1018690799 /nfs/dbraw/zinc/69/07/99/1018690799.db2.gz UFBSFTNTSAYZSB-ZETCQYMHSA-N -1 0 317.323 -0.528 20 0 DBADRM CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605993272 1018691015 /nfs/dbraw/zinc/69/10/15/1018691015.db2.gz FPBWCKDLUAMTDN-HRDYMLBCSA-N -1 0 322.408 -0.358 20 0 DBADRM CN(C)C(=O)Cn1ccc(N[C@H]2CCN(CCC(=O)[O-])C2=O)n1 ZINC001606003727 1018692821 /nfs/dbraw/zinc/69/28/21/1018692821.db2.gz DOHWTJXNDRKNRT-JTQLQIEISA-N -1 0 323.353 -0.541 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001606003017 1018693719 /nfs/dbraw/zinc/69/37/19/1018693719.db2.gz MSVSEVCWWMDIAV-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM CN(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccco1 ZINC001606012078 1018694701 /nfs/dbraw/zinc/69/47/01/1018694701.db2.gz KFMAEJHPNSLEAD-OUAUKWLOSA-N -1 0 323.349 -0.022 20 0 DBADRM CN(C)CC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001606017437 1018696359 /nfs/dbraw/zinc/69/63/59/1018696359.db2.gz HBUOZRDBXHALOX-QUNCOHTASA-N -1 0 318.395 -0.525 20 0 DBADRM Cc1nc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c(C)o1 ZINC001606029385 1018699218 /nfs/dbraw/zinc/69/92/18/1018699218.db2.gz FDJKYLPMMMOFSX-UHFFFAOYSA-N -1 0 303.286 -0.507 20 0 DBADRM CN(C)S(=O)(=O)CCN1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606037936 1018702802 /nfs/dbraw/zinc/70/28/02/1018702802.db2.gz RCOCIIRWICYPDR-SECBINFHSA-N -1 0 317.371 -0.886 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCCC23OCCO3)CCO1 ZINC001606035350 1018704523 /nfs/dbraw/zinc/70/45/23/1018704523.db2.gz IVPDFPLRBLMOKR-UWVGGRQHSA-N -1 0 300.311 -0.223 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)Cn1nnnc1-c1ccccc1 ZINC001606048124 1018705084 /nfs/dbraw/zinc/70/50/84/1018705084.db2.gz NWTFZDVFCYZKQQ-LLVKDONJSA-N -1 0 317.305 -0.348 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)Cc1nnc(C2CCOCC2)[nH]1 ZINC001606048085 1018705155 /nfs/dbraw/zinc/70/51/55/1018705155.db2.gz IVQKHGGKEWHDFM-SNVBAGLBSA-N -1 0 324.337 -0.447 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN1CCSC[C@@H](C(=O)[O-])C1 ZINC001606044782 1018705194 /nfs/dbraw/zinc/70/51/94/1018705194.db2.gz BBZFAVLJPCSXBH-GWNMQOMSSA-N -1 0 323.440 -0.163 20 0 DBADRM CN(C)S(=O)(=O)CCc1cn(CC2(C(=O)[O-])CC2)nn1 ZINC001606039581 1018705921 /nfs/dbraw/zinc/70/59/21/1018705921.db2.gz ZJNQUOGDNWNQIW-UHFFFAOYSA-N -1 0 302.356 -0.423 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC001606039319 1018706463 /nfs/dbraw/zinc/70/64/63/1018706463.db2.gz OEWLOCXGPSVHIK-SECBINFHSA-N -1 0 309.388 -0.660 20 0 DBADRM CN(C)c1cnc(C(=O)NCCC(=O)NCCC(=O)[O-])cn1 ZINC001606065837 1018707366 /nfs/dbraw/zinc/70/73/66/1018707366.db2.gz MJWJHAWOKNQTIN-UHFFFAOYSA-N -1 0 309.326 -0.747 20 0 DBADRM O=C([O-])/C=C/c1cc(C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)co1 ZINC001606064243 1018708103 /nfs/dbraw/zinc/70/81/03/1018708103.db2.gz XYNVCHAAVKCKJB-TXXBHVLJSA-N -1 0 320.301 -0.300 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001606057126 1018708630 /nfs/dbraw/zinc/70/86/30/1018708630.db2.gz MYKFRNWHJQLXHB-QMMMGPOBSA-N -1 0 300.292 -0.889 20 0 DBADRM O=C([O-])/C=C/c1cc(C(=O)N2CC3(C2)C[C@H](O)CNC3=O)co1 ZINC001606064244 1018708878 /nfs/dbraw/zinc/70/88/78/1018708878.db2.gz XYNVCHAAVKCKJB-YOLVWIGZSA-N -1 0 320.301 -0.300 20 0 DBADRM O=C([O-])/C=C/c1cc(C(=O)N[C@@H](CO)CN2CCOCC2)co1 ZINC001606062238 1018708910 /nfs/dbraw/zinc/70/89/10/1018708910.db2.gz BLJCODGKBSTOOL-YYRQZUAOSA-N -1 0 324.333 -0.200 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1nnc(C2CC2)o1 ZINC001606057082 1018709042 /nfs/dbraw/zinc/70/90/42/1018709042.db2.gz LLFJUZPIXGLLBW-SSDOTTSWSA-N -1 0 315.307 -0.729 20 0 DBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)Cc1noc(C2CC2)n1 ZINC001606053949 1018709527 /nfs/dbraw/zinc/70/95/27/1018709527.db2.gz UKYYPGVLRXCWGJ-MRVPVSSYSA-N -1 0 317.323 -0.438 20 0 DBADRM CN(CC(=O)N1CCCC1)C(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001606076134 1018710545 /nfs/dbraw/zinc/71/05/45/1018710545.db2.gz YCNXJKVMUPHVMQ-NSHDSACASA-N -1 0 323.349 -0.643 20 0 DBADRM CN([C@]1(CO)CCOC1)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001606072762 1018712659 /nfs/dbraw/zinc/71/26/59/1018712659.db2.gz VODXGCRCEYVMCQ-LBPRGKRZSA-N -1 0 307.368 -0.346 20 0 DBADRM O=C([O-])CC1(NC(=O)c2nc3n(n2)CCCN3)CCOCC1 ZINC001606083581 1018713814 /nfs/dbraw/zinc/71/38/14/1018713814.db2.gz RZWYFUKXZCBVIJ-UHFFFAOYSA-N -1 0 309.326 -0.895 20 0 DBADRM Cc1ncc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)s1 ZINC001606086933 1018715580 /nfs/dbraw/zinc/71/55/80/1018715580.db2.gz DDSORKNXACKZAJ-UHFFFAOYSA-N -1 0 305.327 -0.347 20 0 DBADRM Cc1ncc(S(=O)(=O)N(CCO)C2CC2)cc1-c1nn[nH]n1 ZINC001606091362 1018715627 /nfs/dbraw/zinc/71/56/27/1018715627.db2.gz AGKVZCWCDABQJH-UHFFFAOYSA-N -1 0 324.366 -0.284 20 0 DBADRM CN(C[C@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)CCCF ZINC001606095163 1018716553 /nfs/dbraw/zinc/71/65/53/1018716553.db2.gz HQHGKISVVBYUSH-SECBINFHSA-N -1 0 314.317 -0.422 20 0 DBADRM CN(Cc1nnc2n1CCN(C)C2=O)C(=O)CCCCC(=O)[O-] ZINC001606178727 1018717172 /nfs/dbraw/zinc/71/71/72/1018717172.db2.gz OFXLOIPOQZRSJC-UHFFFAOYSA-N -1 0 323.353 -0.033 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)[C@@H](C(=O)[O-])c1cccnc1 ZINC001606094598 1018718005 /nfs/dbraw/zinc/71/80/05/1018718005.db2.gz CZQSNNAFFCEAMB-UONOGXRCSA-N -1 0 309.366 -0.168 20 0 DBADRM CN(C[C@@H](O)C1(O)CCOCC1)[C@H](COC1CCC1)C(=O)[O-] ZINC001606094372 1018718218 /nfs/dbraw/zinc/71/82/18/1018718218.db2.gz VBFLLZNSGYXAQY-CHWSQXEVSA-N -1 0 317.382 -0.157 20 0 DBADRM CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)NCCCCC(=O)[O-] ZINC001606099502 1018718839 /nfs/dbraw/zinc/71/88/39/1018718839.db2.gz GZSNLTMSCGITDT-GHMZBOCLSA-N -1 0 300.355 -0.023 20 0 DBADRM CN(Cc1nncn1C)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001606179235 1018719097 /nfs/dbraw/zinc/71/90/97/1018719097.db2.gz HQTAXNBUFHHNLY-UHFFFAOYSA-N -1 0 311.323 -0.271 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001606186788 1018719424 /nfs/dbraw/zinc/71/94/24/1018719424.db2.gz OPORTQAPYPVMKW-VHSXEESVSA-N -1 0 312.322 -0.384 20 0 DBADRM O=C([O-])CCC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC001606098994 1018719880 /nfs/dbraw/zinc/71/98/80/1018719880.db2.gz VRZUHCCCXSTOKD-QMMMGPOBSA-N -1 0 321.376 -0.136 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001606185640 1018720047 /nfs/dbraw/zinc/72/00/47/1018720047.db2.gz XMGJFJSJCAKEJC-NXEZZACHSA-N -1 0 311.338 -0.811 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC(CCC(N)=O)CC1 ZINC001606104975 1018720932 /nfs/dbraw/zinc/72/09/32/1018720932.db2.gz WCTGIRHECUFXOX-UHFFFAOYSA-N -1 0 321.399 -0.385 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001606180935 1018720925 /nfs/dbraw/zinc/72/09/25/1018720925.db2.gz PLWBGULDPHVFIG-NXEZZACHSA-N -1 0 302.308 -0.840 20 0 DBADRM CN(CC1(CO)CC1)C(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001606106416 1018721706 /nfs/dbraw/zinc/72/17/06/1018721706.db2.gz CSRVCFPDMAMLGW-CQSZACIVSA-N -1 0 312.366 -0.069 20 0 DBADRM CN1C(=O)CO[C@@H](C(=O)N2CC(C(=O)[O-])C2)[C@@H]1c1cccnc1 ZINC001606189530 1018721899 /nfs/dbraw/zinc/72/18/99/1018721899.db2.gz ONKVJAXMQUCTKH-QWHCGFSZSA-N -1 0 319.317 -0.477 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)N2CCN(c3nc[nH]n3)CC2)CO1 ZINC001606108579 1018722297 /nfs/dbraw/zinc/72/22/97/1018722297.db2.gz XGIFUDIIJWTUEK-QWRGUYRKSA-N -1 0 323.353 -0.277 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC001606190392 1018722236 /nfs/dbraw/zinc/72/22/36/1018722236.db2.gz VRCIDZCHUYACSE-ZETCQYMHSA-N -1 0 311.260 -0.670 20 0 DBADRM CN1C(=O)c2ccc(C(=O)NC[C@H](O)CC(=O)[O-])cc2C1=O ZINC001606193844 1018722364 /nfs/dbraw/zinc/72/23/64/1018722364.db2.gz ACDMMXHBJWANOA-MRVPVSSYSA-N -1 0 306.274 -0.522 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)NCCC2CS(=O)(=O)C2)CO1 ZINC001606108053 1018722649 /nfs/dbraw/zinc/72/26/49/1018722649.db2.gz PDBTVLYZGUOINI-QWRGUYRKSA-N -1 0 319.379 -0.193 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001606105611 1018722808 /nfs/dbraw/zinc/72/28/08/1018722808.db2.gz LHHZENGKCYRELZ-LLVKDONJSA-N -1 0 323.415 -0.926 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCOC(C2CC2)(C2CC2)C1 ZINC001606190315 1018722541 /nfs/dbraw/zinc/72/25/41/1018722541.db2.gz NXOAXRDYORUISN-UHFFFAOYSA-N -1 0 310.350 -0.005 20 0 DBADRM CN1C[C@@H](C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)NC1=O ZINC001606197351 1018722849 /nfs/dbraw/zinc/72/28/49/1018722849.db2.gz DIYRQWXGZCCIII-CBAPKCEASA-N -1 0 307.310 -0.444 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCOC[C@H]1C[C@H]1CCOC1 ZINC001606190360 1018722905 /nfs/dbraw/zinc/72/29/05/1018722905.db2.gz RZDUDKHMNXOXTI-GHMZBOCLSA-N -1 0 314.338 -0.769 20 0 DBADRM CN1C(=O)COc2cccc(NC(=O)NC[C@H](O)CC(=O)[O-])c21 ZINC001606192151 1018722969 /nfs/dbraw/zinc/72/29/69/1018722969.db2.gz ZJRPGNKJAHKETI-MRVPVSSYSA-N -1 0 323.305 -0.001 20 0 DBADRM CN1CC(=O)N(CC(=O)Nc2nc3n(c2C(=O)[O-])CCC3)C1=O ZINC001606196083 1018723015 /nfs/dbraw/zinc/72/30/15/1018723015.db2.gz APTCUAJTKFGTLR-UHFFFAOYSA-N -1 0 321.293 -0.640 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCc1ncnn1-c1ccccc1 ZINC001606190322 1018723107 /nfs/dbraw/zinc/72/31/07/1018723107.db2.gz OSJGVMSCFJOGTE-UHFFFAOYSA-N -1 0 317.305 -0.526 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@@H](c2ncccn2)C1 ZINC001606105449 1018723379 /nfs/dbraw/zinc/72/33/79/1018723379.db2.gz KKLZVMBEBQJZJD-SNVBAGLBSA-N -1 0 314.367 -0.083 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001606191492 1018724197 /nfs/dbraw/zinc/72/41/97/1018724197.db2.gz MTOMMZZPVMFHLB-LHJMJDNXSA-N -1 0 300.336 -0.217 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@H](C(=O)[O-])c2ccsc2)C1=O ZINC001606197252 1018724434 /nfs/dbraw/zinc/72/44/34/1018724434.db2.gz VJIDEIKRCDCIGK-JTQLQIEISA-N -1 0 311.319 -0.116 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)Cc2ccc3c(c2)OCO3)CC1=O ZINC001606199276 1018724936 /nfs/dbraw/zinc/72/49/36/1018724936.db2.gz CUYVBDFUBLYRJA-SNVBAGLBSA-N -1 0 320.301 -0.288 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001606115457 1018725060 /nfs/dbraw/zinc/72/50/60/1018725060.db2.gz IFVLUOMTZSNEOV-MRVPVSSYSA-N -1 0 311.298 -0.677 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3[nH]c(=O)oc3c2)CC1=O ZINC001606199912 1018725314 /nfs/dbraw/zinc/72/53/14/1018725314.db2.gz JQXVSQZDOXLIMW-VIFPVBQESA-N -1 0 319.273 -0.099 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)/C=C/c2cncc(F)c2)CC1=O ZINC001606197855 1018725768 /nfs/dbraw/zinc/72/57/68/1018725768.db2.gz MUOOKEXGCLVSIT-VUDBWIFFSA-N -1 0 307.281 -0.012 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)CCO3)CC1=O ZINC001606198853 1018725947 /nfs/dbraw/zinc/72/59/47/1018725947.db2.gz AMLXPZYZAKIKGW-LLVKDONJSA-N -1 0 304.302 -0.011 20 0 DBADRM CN1C[C@@H](C(=O)N[C@@](C)(CO)C(=O)[O-])c2ccccc2C1=O ZINC001606197992 1018726372 /nfs/dbraw/zinc/72/63/72/1018726372.db2.gz PUHTZGFSTIAJSD-ABAIWWIYSA-N -1 0 306.318 -0.192 20 0 DBADRM CN1C[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)NC1=O ZINC001606198370 1018726712 /nfs/dbraw/zinc/72/67/12/1018726712.db2.gz UQGAQFHNHNAGCS-HZMBPMFUSA-N -1 0 306.322 -0.089 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@@H]2COc3ccccc32)CC1=O ZINC001606198565 1018727055 /nfs/dbraw/zinc/72/70/55/1018727055.db2.gz WSNJJAXCMRDKEY-GHMZBOCLSA-N -1 0 304.302 -0.084 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cc3cccn3cn2)CC1=O ZINC001606199284 1018727245 /nfs/dbraw/zinc/72/72/45/1018727245.db2.gz DANVXCFLLRIEBO-NSHDSACASA-N -1 0 302.290 -0.298 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@H]2C[C@@]2(C)Br)CC1=O ZINC001606198170 1018727368 /nfs/dbraw/zinc/72/73/68/1018727368.db2.gz ROOMMFGAAHPLIQ-OPVBNTEQSA-N -1 0 319.155 -0.086 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)NCc2nnc3n2CCOC3)CO1 ZINC001606112684 1018727729 /nfs/dbraw/zinc/72/77/29/1018727729.db2.gz XTTVCISRXDVTEC-UWVGGRQHSA-N -1 0 324.337 -0.306 20 0 DBADRM CN(CCCNC(=O)C(C)(C)C(N)=O)c1ccnc(C(=O)[O-])n1 ZINC001606121384 1018727760 /nfs/dbraw/zinc/72/77/60/1018727760.db2.gz JDFWMNLBZGFKGV-UHFFFAOYSA-N -1 0 323.353 -0.371 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)[nH]1 ZINC001606118089 1018728156 /nfs/dbraw/zinc/72/81/56/1018728156.db2.gz ACBMYZLAZKXILD-NTSWFWBYSA-N -1 0 317.317 -0.677 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ncc2c(n1)CCC2 ZINC001606110669 1018728574 /nfs/dbraw/zinc/72/85/74/1018728574.db2.gz YMXMFZHEBFSTIY-UHFFFAOYSA-N -1 0 314.367 -0.294 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCC2CCC2)CC1=O ZINC001606202692 1018729263 /nfs/dbraw/zinc/72/92/63/1018729263.db2.gz IUBNKQGWMMKOMC-JTQLQIEISA-N -1 0 304.368 -0.266 20 0 DBADRM CN(CCN(C)c1ccnc(C(=O)[O-])n1)C(=O)Cn1ccnc1 ZINC001606126504 1018731113 /nfs/dbraw/zinc/73/11/13/1018731113.db2.gz GKVBXWBPWXDOHF-UHFFFAOYSA-N -1 0 318.337 -0.034 20 0 DBADRM CN1CC(N2CCN(C(=O)c3cc(C(=O)[O-])ccn3)CC2)C1 ZINC001606203218 1018731016 /nfs/dbraw/zinc/73/10/16/1018731016.db2.gz QQHKRJPHXYWKHA-UHFFFAOYSA-N -1 0 304.350 -0.148 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2onc3c2CCCC3)CC1=O ZINC001606204981 1018731530 /nfs/dbraw/zinc/73/15/30/1018731530.db2.gz YRANNGGNFRCBSR-JTQLQIEISA-N -1 0 307.306 -0.079 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@@]2(C)CCOC2)c(-c2nnn[n-]2)c1=O ZINC001606205371 1018732263 /nfs/dbraw/zinc/73/22/63/1018732263.db2.gz AYOQIIQQCTVFNG-GFCCVEGCSA-N -1 0 307.314 -0.496 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H]1CCC(=O)N1 ZINC001606132631 1018734437 /nfs/dbraw/zinc/73/44/37/1018734437.db2.gz AAVWHVDZVJCIDO-SECBINFHSA-N -1 0 307.310 -0.676 20 0 DBADRM CN(CCOc1cccc(C(=O)[O-])c1)CCS(N)(=O)=O ZINC001606136027 1018735229 /nfs/dbraw/zinc/73/52/29/1018735229.db2.gz CXXWSBPCISLJPJ-UHFFFAOYSA-N -1 0 302.352 -0.016 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCC(=O)NC1)c1ccnc(C(=O)[O-])n1 ZINC001606131232 1018736465 /nfs/dbraw/zinc/73/64/65/1018736465.db2.gz RZQAHZFDBFPHMY-SECBINFHSA-N -1 0 321.337 -0.747 20 0 DBADRM CN(CCNc1ccc2nnnn2n1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001606133629 1018736939 /nfs/dbraw/zinc/73/69/39/1018736939.db2.gz XFZJSBYGPQBTDB-HTQZYQBOSA-N -1 0 305.298 -0.890 20 0 DBADRM CN1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001606208865 1018737136 /nfs/dbraw/zinc/73/71/36/1018737136.db2.gz NSUDBESVKUIVQW-AOOOYVTPSA-N -1 0 314.367 -0.565 20 0 DBADRM O=C([O-])CCCC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001606137935 1018738115 /nfs/dbraw/zinc/73/81/15/1018738115.db2.gz RKXVATUMJWOZLJ-VIFPVBQESA-N -1 0 320.367 -0.949 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@]2(C)CCOC2)c(-c2nnn[n-]2)c1=O ZINC001606205374 1018738794 /nfs/dbraw/zinc/73/87/94/1018738794.db2.gz AYOQIIQQCTVFNG-LBPRGKRZSA-N -1 0 307.314 -0.496 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)C1=O ZINC001606212699 1018739273 /nfs/dbraw/zinc/73/92/73/1018739273.db2.gz QFILOBSYMJTCCI-FMCALUSXSA-N -1 0 310.350 -0.007 20 0 DBADRM CN1CC[C@H](C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)CC1=O ZINC001606212223 1018739771 /nfs/dbraw/zinc/73/97/71/1018739771.db2.gz LMKGLOULFJVSAP-UWVGGRQHSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1CC[C@H](C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])C1=O ZINC001606211888 1018739866 /nfs/dbraw/zinc/73/98/66/1018739866.db2.gz DRSMTOMZXGILRE-NWDGAFQWSA-N -1 0 305.334 -0.081 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])C1=O ZINC001606211855 1018741966 /nfs/dbraw/zinc/74/19/66/1018741966.db2.gz DBWQBBYUINIKMF-RKDXNWHRSA-N -1 0 300.311 -0.813 20 0 DBADRM Cn1c(C(=O)[N-]S(=O)(=O)CC2CC2)ccc1-c1nn[nH]n1 ZINC001606213267 1018742630 /nfs/dbraw/zinc/74/26/30/1018742630.db2.gz MAERNSYOOMZOQA-UHFFFAOYSA-N -1 0 310.339 -0.325 20 0 DBADRM CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001606143068 1018743477 /nfs/dbraw/zinc/74/34/77/1018743477.db2.gz NSGUOLZKXVBYIL-JLLWLGSASA-N -1 0 312.366 -0.167 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCc2ccccc2)n(C)c1=O ZINC001606218382 1018745304 /nfs/dbraw/zinc/74/53/04/1018745304.db2.gz KBSDLSMYPSLYGI-UHFFFAOYSA-N -1 0 313.321 -0.124 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)CC2(C(=O)[O-])CCC2)CC1=O ZINC001606219121 1018747838 /nfs/dbraw/zinc/74/78/38/1018747838.db2.gz IJGPWMQFOXZRCL-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM C[NH+]1CCC(O[N-]C(=O)Cn2cccc(C(=O)[O-])c2=O)CC1 ZINC001606219055 1018748368 /nfs/dbraw/zinc/74/83/68/1018748368.db2.gz GHSVYQMPVLKZIS-UHFFFAOYSA-N -1 0 309.322 -0.312 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1=O ZINC001606221999 1018748437 /nfs/dbraw/zinc/74/84/37/1018748437.db2.gz WCMBZFOGINMYQA-QXEWZRGKSA-N -1 0 318.337 -0.315 20 0 DBADRM CN1CCN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H](C(=O)[O-])C1 ZINC001606228342 1018751992 /nfs/dbraw/zinc/75/19/92/1018751992.db2.gz GQOWENAWHXBFNI-SNVBAGLBSA-N -1 0 318.395 -0.572 20 0 DBADRM O=C([O-])CN1CC[C@H](N2C[C@@H](CO)[C@H](C(F)(F)F)C2)C1=O ZINC001606231731 1018757630 /nfs/dbraw/zinc/75/76/30/1018757630.db2.gz LVKFZJPQRQIKRC-YIZRAAEISA-N -1 0 310.272 -0.226 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCC(N3CCCNC3=O)CC2)C1=O ZINC001606232418 1018760567 /nfs/dbraw/zinc/76/05/67/1018760567.db2.gz VDNIPKNNZDLDOL-GFCCVEGCSA-N -1 0 324.381 -0.448 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCC(NC(=O)C3CC3)CC2)C1=O ZINC001606232725 1018766529 /nfs/dbraw/zinc/76/65/29/1018766529.db2.gz XWAVYGFAUGECSS-GFCCVEGCSA-N -1 0 309.366 -0.338 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001606248843 1018775742 /nfs/dbraw/zinc/77/57/42/1018775742.db2.gz CVBBVXKOHPCFBP-GHMZBOCLSA-N -1 0 301.343 -0.798 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H]1CN(C)CCO1 ZINC001606247606 1018776625 /nfs/dbraw/zinc/77/66/25/1018776625.db2.gz OYMFXOFDQMPMLY-LLVKDONJSA-N -1 0 323.353 -0.624 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)c2ccc3c(n2)OCCO3)C1=O ZINC001606248163 1018777640 /nfs/dbraw/zinc/77/76/40/1018777640.db2.gz QCSPYYLNVPMIRW-SNVBAGLBSA-N -1 0 322.273 -0.305 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)Nc2nnc3n2CCCC3)C1=O ZINC001606252849 1018779019 /nfs/dbraw/zinc/77/90/19/1018779019.db2.gz BTQCXQKBVNGQTR-VIFPVBQESA-N -1 0 321.337 -0.124 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NC[C@@H](CO)CC2CC2)C1=O ZINC001606251238 1018780391 /nfs/dbraw/zinc/78/03/91/1018780391.db2.gz NPYTZAAPQLRRKF-NWDGAFQWSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCCCn2cccn2)C1=O ZINC001606251695 1018781228 /nfs/dbraw/zinc/78/12/28/1018781228.db2.gz OWTKJNMKZRGHFP-LLVKDONJSA-N -1 0 308.338 -0.287 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)Nc2nnc3ccccn32)C1=O ZINC001606253625 1018781679 /nfs/dbraw/zinc/78/16/79/1018781679.db2.gz UQEBEXHSTQZDCT-VIFPVBQESA-N -1 0 317.305 -0.009 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1=O ZINC001606255096 1018783157 /nfs/dbraw/zinc/78/31/57/1018783157.db2.gz DQUXCRILWJWLCH-CGHQTKRJSA-N -1 0 322.361 -0.008 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)Nc2nnc3ccccn32)C1=O ZINC001606253624 1018784017 /nfs/dbraw/zinc/78/40/17/1018784017.db2.gz UQEBEXHSTQZDCT-SECBINFHSA-N -1 0 317.305 -0.009 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N[C@H]2C[C@H](CO)C2)C1=O ZINC001606255611 1018784127 /nfs/dbraw/zinc/78/41/27/1018784127.db2.gz PLSPEJLAIPPNCK-DCAQKATOSA-N -1 0 313.354 -0.478 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N[C@@H](CO)CCF)C1=O ZINC001606257696 1018784383 /nfs/dbraw/zinc/78/43/83/1018784383.db2.gz OPOALHOIKZISCH-ZJUUUORDSA-N -1 0 319.333 -0.528 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NC[C@H]2CCOC2)C1=O ZINC001606255370 1018784415 /nfs/dbraw/zinc/78/44/15/1018784415.db2.gz LVNDRPXBHDNTQB-MNOVXSKESA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)OCc2ccc[n+]([O-])c2)C1=O ZINC001606253643 1018784643 /nfs/dbraw/zinc/78/46/43/1018784643.db2.gz VBCFXZGHIRBZMC-NSHDSACASA-N -1 0 308.290 -0.314 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NS(=O)(=O)CC2(F)CC2)C1=O ZINC001606259339 1018786458 /nfs/dbraw/zinc/78/64/58/1018786458.db2.gz QZJXYAAGRCCUAB-VIFPVBQESA-N -1 0 322.358 -0.126 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NS(=O)(=O)CC2(F)CC2)C1=O ZINC001606259338 1018787835 /nfs/dbraw/zinc/78/78/35/1018787835.db2.gz QZJXYAAGRCCUAB-SECBINFHSA-N -1 0 322.358 -0.126 20 0 DBADRM CNC(=O)C(C)(C)CNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001606259167 1018788367 /nfs/dbraw/zinc/78/83/67/1018788367.db2.gz AQICHNCGACEEGO-UHFFFAOYSA-N -1 0 306.384 -0.067 20 0 DBADRM Cn1cnnc1CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001606265491 1018789411 /nfs/dbraw/zinc/78/94/11/1018789411.db2.gz CIXOQERKKYFMPI-UHFFFAOYSA-N -1 0 300.282 -0.369 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC001606265331 1018789479 /nfs/dbraw/zinc/78/94/79/1018789479.db2.gz WQWYPBUJAPYUNH-SECBINFHSA-N -1 0 312.322 -0.479 20 0 DBADRM CNC(=O)C[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001606267511 1018789657 /nfs/dbraw/zinc/78/96/57/1018789657.db2.gz HCOCPZMSUUAGNV-SSDOTTSWSA-N -1 0 301.324 -0.417 20 0 DBADRM CNC(=O)C1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC001606265785 1018789829 /nfs/dbraw/zinc/78/98/29/1018789829.db2.gz AYCVOESCCCGUDP-UHFFFAOYSA-N -1 0 311.319 -0.411 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1c[nH]nc1-c1ccccn1 ZINC001606265307 1018790142 /nfs/dbraw/zinc/79/01/42/1018790142.db2.gz UJUGJNFZBBLYIB-UHFFFAOYSA-N -1 0 304.262 -0.171 20 0 DBADRM CNC(=O)[C@H]1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001606266337 1018790908 /nfs/dbraw/zinc/79/09/08/1018790908.db2.gz QWMILKDUYAVQQR-UTLUCORTSA-N -1 0 304.368 -0.363 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001606264635 1018791015 /nfs/dbraw/zinc/79/10/15/1018791015.db2.gz ZOLHSDJBYXKEDM-ZDCRXTMVSA-N -1 0 313.354 -0.215 20 0 DBADRM CNC(=O)[C@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])c2)CCO1 ZINC001606266308 1018791732 /nfs/dbraw/zinc/79/17/32/1018791732.db2.gz PXSBWYDDYIVITQ-GFCCVEGCSA-N -1 0 321.333 -0.230 20 0 DBADRM Cn1nc(C2CC2)cc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001606267934 1018792133 /nfs/dbraw/zinc/79/21/33/1018792133.db2.gz GPNONINAANHRLD-UHFFFAOYSA-N -1 0 314.313 -0.292 20 0 DBADRM CNC(=O)CCNC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001606266850 1018792782 /nfs/dbraw/zinc/79/27/82/1018792782.db2.gz GBKSQTKDXUBGTR-QMMMGPOBSA-N -1 0 317.342 -0.393 20 0 DBADRM O=C([O-])COCC(=O)N(CCO)CCOCC(F)(F)F ZINC001606273740 1018794419 /nfs/dbraw/zinc/79/44/19/1018794419.db2.gz NBTOVGCICSOUGX-UHFFFAOYSA-N -1 0 303.233 -0.513 20 0 DBADRM O=C([O-])COCC(=O)N[C@@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001606272776 1018795054 /nfs/dbraw/zinc/79/50/54/1018795054.db2.gz IWSGLKGNOGJJPJ-SECBINFHSA-N -1 0 305.352 -0.296 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001606270279 1018795180 /nfs/dbraw/zinc/79/51/80/1018795180.db2.gz BNYLFYYEVOQHQK-GFCCVEGCSA-N -1 0 324.381 -0.331 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001606271161 1018795932 /nfs/dbraw/zinc/79/59/32/1018795932.db2.gz QQCWWGLFMIGNTM-UHFFFAOYSA-N -1 0 323.305 -0.707 20 0 DBADRM CNC(=O)CNS(=O)(=O)c1ccc(OC)cc1C(=O)[O-] ZINC001606273930 1018798149 /nfs/dbraw/zinc/79/81/49/1018798149.db2.gz VRDHJUGQKMOGRC-UHFFFAOYSA-N -1 0 302.308 -0.582 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001606272991 1018798437 /nfs/dbraw/zinc/79/84/37/1018798437.db2.gz IMVOFURSBFTOKA-UHFFFAOYSA-N -1 0 313.697 -0.161 20 0 DBADRM CNC(=O)Cc1noc(CN[C@@H](C[C@H]2CCCO2)C(=O)[O-])n1 ZINC001606277526 1018799128 /nfs/dbraw/zinc/79/91/28/1018799128.db2.gz PDRCOWLXJSAFKY-BDAKNGLRSA-N -1 0 312.326 -0.530 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001606279246 1018800165 /nfs/dbraw/zinc/80/01/65/1018800165.db2.gz DQBHBPCWMSINTJ-NWDGAFQWSA-N -1 0 315.370 -0.672 20 0 DBADRM CNC(=O)Cc1nc(Cn2cnc(C(=O)[O-])cc2=O)cs1 ZINC001606277796 1018800399 /nfs/dbraw/zinc/80/03/99/1018800399.db2.gz SQPIXYSBIQMFDD-UHFFFAOYSA-N -1 0 308.319 -0.265 20 0 DBADRM CNC(=O)NC1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1 ZINC001606278378 1018800728 /nfs/dbraw/zinc/80/07/28/1018800728.db2.gz SNNDJLPFOBFYTR-FBIMIBRVSA-N -1 0 313.354 -0.215 20 0 DBADRM O=C([O-])COCCOCCN1C(=O)N[C@@]2(CCSC2)C1=O ZINC001606279034 1018800885 /nfs/dbraw/zinc/80/08/85/1018800885.db2.gz MLTADWZZFGHFRO-GFCCVEGCSA-N -1 0 318.351 -0.468 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cn1 ZINC001606277488 1018801005 /nfs/dbraw/zinc/80/10/05/1018801005.db2.gz NQVKRXCMFXSIMF-WPRPVWTQSA-N -1 0 309.326 -0.044 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001606279807 1018802389 /nfs/dbraw/zinc/80/23/89/1018802389.db2.gz SZEJJFAFGHIXDK-ZCFIWIBFSA-N -1 0 304.299 -0.063 20 0 DBADRM CNC(=O)NCC(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@@H](OC)C1 ZINC001606282372 1018802621 /nfs/dbraw/zinc/80/26/21/1018802621.db2.gz YIGIMFWQVMRNOZ-NGZCFLSTSA-N -1 0 301.343 -0.310 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC001606284846 1018803118 /nfs/dbraw/zinc/80/31/18/1018803118.db2.gz OPKKLWMOHUDNKT-NEPJUHHUSA-N -1 0 316.354 -0.029 20 0 DBADRM CNC(=O)c1cccc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)n1 ZINC001606288265 1018803648 /nfs/dbraw/zinc/80/36/48/1018803648.db2.gz UOANUCLFYYHWPQ-AWEZNQCLSA-N -1 0 307.306 -0.338 20 0 DBADRM CNC(=O)c1cc(N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)ccn1 ZINC001606283764 1018804116 /nfs/dbraw/zinc/80/41/16/1018804116.db2.gz LIZCFTMHMNNSFU-NXEZZACHSA-N -1 0 307.306 -0.249 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001606283976 1018803773 /nfs/dbraw/zinc/80/37/73/1018803773.db2.gz SKLACYDPVLEZNA-LURJTMIESA-N -1 0 311.269 -0.287 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])n1 ZINC001606287648 1018803917 /nfs/dbraw/zinc/80/39/17/1018803917.db2.gz HFXVZSXDXZKSQO-WDEREUQCSA-N -1 0 307.306 -0.509 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N[C@@H]1Cc2cncn2C1 ZINC001606284787 1018803923 /nfs/dbraw/zinc/80/39/23/1018803923.db2.gz LVYUOJIRKNYHTQ-SNVBAGLBSA-N -1 0 312.326 -0.775 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])c1 ZINC001606287614 1018804038 /nfs/dbraw/zinc/80/40/38/1018804038.db2.gz FUNLPYUUYXKAMP-LLVKDONJSA-N -1 0 322.317 -0.008 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC(N2CN=NC2=O)CC1 ZINC001606291254 1018804544 /nfs/dbraw/zinc/80/45/44/1018804544.db2.gz DAINYYMXGNIUFX-UHFFFAOYSA-N -1 0 318.355 -0.880 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC001606296259 1018805143 /nfs/dbraw/zinc/80/51/43/1018805143.db2.gz ATUTZSUUYJWVBP-MNOVXSKESA-N -1 0 307.368 -0.634 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC2(CCNC(=O)O2)CC1 ZINC001606291511 1018805461 /nfs/dbraw/zinc/80/54/61/1018805461.db2.gz NBYLVTAADWSFLM-UHFFFAOYSA-N -1 0 320.367 -0.550 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC001606292173 1018805787 /nfs/dbraw/zinc/80/57/87/1018805787.db2.gz GAGMWCHVPDTTTI-GWQWAINWSA-N -1 0 319.317 -0.498 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N[C@@H](C)CC(=O)[O-])CC1 ZINC001606301461 1018806143 /nfs/dbraw/zinc/80/61/43/1018806143.db2.gz ICIXGVOWSLCKPA-QMMMGPOBSA-N -1 0 307.372 -0.858 20 0 DBADRM CNS(=O)(=O)CCNC(=O)c1ccc(C(=O)[O-])cc1F ZINC001606301482 1018806289 /nfs/dbraw/zinc/80/62/89/1018806289.db2.gz IMDNXPLOEUSLNI-UHFFFAOYSA-N -1 0 304.299 -0.197 20 0 DBADRM CNS(=O)(=O)CCCN1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001606302630 1018806624 /nfs/dbraw/zinc/80/66/24/1018806624.db2.gz KZMPMCPHERCYNG-VHSXEESVSA-N -1 0 322.383 -0.736 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001606298974 1018807073 /nfs/dbraw/zinc/80/70/73/1018807073.db2.gz NXZMPUFVOPIFIM-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NCC2(C(=O)[O-])CC2)co1 ZINC001606303578 1018808396 /nfs/dbraw/zinc/80/83/96/1018808396.db2.gz LFFQCSWHZXZBIM-UHFFFAOYSA-N -1 0 302.308 -0.218 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)/C=C/C(=O)[O-])o1 ZINC001606304753 1018808455 /nfs/dbraw/zinc/80/84/55/1018808455.db2.gz VKBONCQZPTVCQZ-OHCKJTPYSA-N -1 0 302.308 -0.053 20 0 DBADRM CNc1cnc(C(=O)N2C[C@H](C(=O)OC)CC[C@@H]2C(=O)[O-])cn1 ZINC001606312989 1018808713 /nfs/dbraw/zinc/80/87/13/1018808713.db2.gz ITOBGGGMARCADV-PSASIEDQSA-N -1 0 322.321 -0.003 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001606303785 1018808853 /nfs/dbraw/zinc/80/88/53/1018808853.db2.gz XUEKCIGMXHYRJU-UHFFFAOYSA-N -1 0 317.323 -0.858 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CCc1nc(N(C)C)no1 ZINC001606324040 1018809056 /nfs/dbraw/zinc/80/90/56/1018809056.db2.gz PULADRCUXUYWQJ-SSDOTTSWSA-N -1 0 314.298 -0.799 20 0 DBADRM COC(=O)[C@](C)(CO)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001606318261 1018809205 /nfs/dbraw/zinc/80/92/05/1018809205.db2.gz JJYCALQMHRSPCX-JTQLQIEISA-N -1 0 307.280 -0.820 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001606315955 1018809305 /nfs/dbraw/zinc/80/93/05/1018809305.db2.gz PAYPEVYBTPNJTB-SECBINFHSA-N -1 0 323.367 -0.309 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)Sc1nncn1C ZINC001606322446 1018809326 /nfs/dbraw/zinc/80/93/26/1018809326.db2.gz DGFAWRBNMYTQAM-RNFRBKRXSA-N -1 0 316.339 -0.572 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001606315956 1018809588 /nfs/dbraw/zinc/80/95/88/1018809588.db2.gz PAYPEVYBTPNJTB-VIFPVBQESA-N -1 0 323.367 -0.309 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CN1CCN(C2CC2)C1=O ZINC001606323617 1018809677 /nfs/dbraw/zinc/80/96/77/1018809677.db2.gz LKAMYLHVQPAUOU-VIFPVBQESA-N -1 0 313.310 -0.981 20 0 DBADRM COC(=O)[C@](C)(CO)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001606318274 1018809705 /nfs/dbraw/zinc/80/97/05/1018809705.db2.gz JPLREGDOMQEYNT-AWEZNQCLSA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)[C@](C)(CO)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001606318097 1018809973 /nfs/dbraw/zinc/80/99/73/1018809973.db2.gz IDPCTOYUJZITSF-FYBVGQRMSA-N -1 0 309.340 -0.917 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)Sc1nncn1C ZINC001606322444 1018810069 /nfs/dbraw/zinc/81/00/69/1018810069.db2.gz DGFAWRBNMYTQAM-BQBZGAKWSA-N -1 0 316.339 -0.572 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCc3c(=O)[nH]cnc3C2)nn1 ZINC001606325703 1018810788 /nfs/dbraw/zinc/81/07/88/1018810788.db2.gz FVVPXIUQTUNKMM-UHFFFAOYSA-N -1 0 304.266 -0.943 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@H](O)COc2ccccc2)nn1 ZINC001606325763 1018811083 /nfs/dbraw/zinc/81/10/83/1018811083.db2.gz GMNGKLHBASDLST-JTQLQIEISA-N -1 0 320.305 -0.468 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCS[C@H]3COCC[C@H]32)nn1 ZINC001606326213 1018811242 /nfs/dbraw/zinc/81/12/42/1018811242.db2.gz MJYOYPGZSDMAMS-ZJUUUORDSA-N -1 0 312.351 -0.291 20 0 DBADRM COC(=O)[C@H](C[C@@H]1CCCO1)N[C@H](C)C(=O)NCC(=O)[O-] ZINC001606329806 1018811461 /nfs/dbraw/zinc/81/14/61/1018811461.db2.gz FHXUKKXNJAJEQW-UTLUCORTSA-N -1 0 302.327 -0.724 20 0 DBADRM COC(=O)[C@H](CC(F)F)NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001606325121 1018811766 /nfs/dbraw/zinc/81/17/66/1018811766.db2.gz IJUWVOCRTVLBJG-WDSKDSINSA-N -1 0 303.283 -0.177 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCCCOC[C@@H]2CCOC2)nn1 ZINC001606331771 1018812204 /nfs/dbraw/zinc/81/22/04/1018812204.db2.gz VYDXDCBHWWWQAA-JTQLQIEISA-N -1 0 312.326 -0.464 20 0 DBADRM COC(=O)[C@@H](Cn1cncn1)NC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001606335036 1018812288 /nfs/dbraw/zinc/81/22/88/1018812288.db2.gz RFLZATYIWSKTCX-SECBINFHSA-N -1 0 307.266 -0.724 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@@H](CO)C2CCCC2)n1 ZINC001606341623 1018812592 /nfs/dbraw/zinc/81/25/92/1018812592.db2.gz WTDUELSCZHRWFN-JTQLQIEISA-N -1 0 324.337 -0.427 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2CS3)n1 ZINC001606340845 1018812652 /nfs/dbraw/zinc/81/26/52/1018812652.db2.gz FOHAKWYWGGBNCW-YUMQZZPRSA-N -1 0 310.335 -0.378 20 0 DBADRM COC(=O)[C@H](NCCC(=O)N(C)CC(=O)[O-])C1CCOCC1 ZINC001606339568 1018812958 /nfs/dbraw/zinc/81/29/58/1018812958.db2.gz SIQADKDWWGFVOK-CYBMUJFWSA-N -1 0 316.354 -0.523 20 0 DBADRM COC(=O)[C@H](CCC1OCCO1)NC(=O)C1(C(=O)[O-])CC1 ZINC001606333929 1018813024 /nfs/dbraw/zinc/81/30/24/1018813024.db2.gz PDNJPTMDVFSWKZ-QMMMGPOBSA-N -1 0 301.295 -0.338 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NC[C@H]2CCCCO2)n1 ZINC001606341282 1018813097 /nfs/dbraw/zinc/81/30/97/1018813097.db2.gz QBQDJDCJNAEPSG-SECBINFHSA-N -1 0 310.310 -0.409 20 0 DBADRM COC(=O)[C@H](O)C1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC001606342521 1018813300 /nfs/dbraw/zinc/81/33/00/1018813300.db2.gz NWGFANPKIRHJDR-GFCCVEGCSA-N -1 0 319.379 -0.033 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCCc2cn3c(n2)CCCC3)nn1 ZINC001606331532 1018813352 /nfs/dbraw/zinc/81/33/52/1018813352.db2.gz RVQKZSORNLRGCE-UHFFFAOYSA-N -1 0 318.337 -0.132 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CCO[C@H](C3CC3)C2)n1 ZINC001606341646 1018813366 /nfs/dbraw/zinc/81/33/66/1018813366.db2.gz YGJGVILGZKQBCR-JTQLQIEISA-N -1 0 322.321 -0.456 20 0 DBADRM COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001606343998 1018813472 /nfs/dbraw/zinc/81/34/72/1018813472.db2.gz ZVSILLLOFUCDGI-MRVPVSSYSA-N -1 0 321.307 -0.431 20 0 DBADRM COC(=O)C1(CNC(=O)COCc2ocnc2C(=O)[O-])CC1 ZINC001606350140 1018813671 /nfs/dbraw/zinc/81/36/71/1018813671.db2.gz UNKBUXOCYICNNY-UHFFFAOYSA-N -1 0 312.278 -0.041 20 0 DBADRM COC(=O)C1(CNS(=O)(=O)c2cc(C(=O)[O-])cn2C)CC1 ZINC001606350124 1018813794 /nfs/dbraw/zinc/81/37/94/1018813794.db2.gz SZMBIFSJWMKLDE-UHFFFAOYSA-N -1 0 316.335 -0.045 20 0 DBADRM COC(=O)C1(NC(=O)Cn2cc(C(=O)[O-])cn2)CCOCC1 ZINC001606352271 1018814166 /nfs/dbraw/zinc/81/41/66/1018814166.db2.gz BUFYTDWYABLACL-UHFFFAOYSA-N -1 0 311.294 -0.580 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2CC(O)(C(=O)[O-])C2)CCCC1 ZINC001606352112 1018814311 /nfs/dbraw/zinc/81/43/11/1018814311.db2.gz UYTYACFBDJLVKF-UHFFFAOYSA-N -1 0 321.351 -0.819 20 0 DBADRM COC(=O)[C@]1(C)C[C@@H](OC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CN1C ZINC001606347534 1018814730 /nfs/dbraw/zinc/81/47/30/1018814730.db2.gz HAULGFAKIMVLBG-PUXPGTEJSA-N -1 0 315.322 -0.202 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NC[C@@H](O)c2cncs2)c1=O ZINC001606355524 1018815375 /nfs/dbraw/zinc/81/53/75/1018815375.db2.gz TWHHYLVLDBHJFW-SECBINFHSA-N -1 0 323.330 -0.147 20 0 DBADRM COC(=O)[C@]1(NS(=O)(=O)C[C@H](C)C(=O)[O-])CCSC1 ZINC001606354595 1018815719 /nfs/dbraw/zinc/81/57/19/1018815719.db2.gz RKJBVLCOQLGMCY-XVKPBYJWSA-N -1 0 311.381 -0.325 20 0 DBADRM COC(=O)C1(NS(=O)(=O)C[C@H](C)C(=O)[O-])CCOCC1 ZINC001606353650 1018815790 /nfs/dbraw/zinc/81/57/90/1018815790.db2.gz BQDVYCQTDFHXJY-QMMMGPOBSA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)C1(NC(=O)[C@@H](O)C(C)(C)O)CCC(C(=O)[O-])CC1 ZINC001606353024 1018816250 /nfs/dbraw/zinc/81/62/50/1018816250.db2.gz MNZANDJSLZYHAP-ZYTOWTHASA-N -1 0 317.338 -0.579 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)CCC1 ZINC001606358031 1018817079 /nfs/dbraw/zinc/81/70/79/1018817079.db2.gz ZARRLJFQZBACPL-SNVBAGLBSA-N -1 0 309.315 -0.090 20 0 DBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1cncc(C(=O)[O-])c1 ZINC001606369919 1018817864 /nfs/dbraw/zinc/81/78/64/1018817864.db2.gz GKEOXYAZKPWMCA-GHMZBOCLSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1ccc(C(=O)[O-])n1C ZINC001606370564 1018817965 /nfs/dbraw/zinc/81/79/65/1018817965.db2.gz KTWAFKFQTDPQPG-MNOVXSKESA-N -1 0 310.306 -0.138 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cc(=O)[nH]cn1 ZINC001606370655 1018818098 /nfs/dbraw/zinc/81/80/98/1018818098.db2.gz OHQWSZOMBCDZEJ-CBAPKCEASA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@@H]1CC(=O)N(CN2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001606369734 1018818304 /nfs/dbraw/zinc/81/83/04/1018818304.db2.gz FMMNAQHAVGKBEU-ZJUUUORDSA-N -1 0 300.311 -0.859 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1Cc1nnc2n1CCOC2 ZINC001606378055 1018818749 /nfs/dbraw/zinc/81/87/49/1018818749.db2.gz XAJPLNIDFPCLHT-NXEZZACHSA-N -1 0 324.337 -0.354 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1Cc1nnc2n1CCOC2 ZINC001606378056 1018819155 /nfs/dbraw/zinc/81/91/55/1018819155.db2.gz XAJPLNIDFPCLHT-UWVGGRQHSA-N -1 0 324.337 -0.354 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1CCN1CCOC1=O ZINC001606385292 1018819161 /nfs/dbraw/zinc/81/91/61/1018819161.db2.gz IARVJVYABRMEOO-NXEZZACHSA-N -1 0 300.311 -0.223 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001606377700 1018819216 /nfs/dbraw/zinc/81/92/16/1018819216.db2.gz NGAFGEBZKJPDMS-RKDXNWHRSA-N -1 0 323.367 -0.717 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC001606375705 1018819619 /nfs/dbraw/zinc/81/96/19/1018819619.db2.gz DDEXSBXIRQEPKT-DTWKUNHWSA-N -1 0 309.340 -0.963 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1nnc(C)o1 ZINC001606386218 1018820254 /nfs/dbraw/zinc/82/02/54/1018820254.db2.gz YSUAUVDVHCZFJU-IUCAKERBSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCn1ccnn1 ZINC001606385593 1018820511 /nfs/dbraw/zinc/82/05/11/1018820511.db2.gz USZGQOAGCAEIMF-VHSXEESVSA-N -1 0 310.310 -0.467 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)CN(C)C(C)=O)C1 ZINC001606391278 1018820716 /nfs/dbraw/zinc/82/07/16/1018820716.db2.gz GJHCIYXABFOWIZ-VHSXEESVSA-N -1 0 300.311 -0.671 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H](CO)C1CCOCC1 ZINC001606387967 1018821242 /nfs/dbraw/zinc/82/12/42/1018821242.db2.gz BVRHPWJSVXCYJE-QWRGUYRKSA-N -1 0 322.383 -0.843 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@]2(F)CCOC2)C1 ZINC001606390355 1018821326 /nfs/dbraw/zinc/82/13/26/1018821326.db2.gz RENSXPNBYYLIQG-VYUIOLGVSA-N -1 0 303.286 -0.020 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2COCCO2)C1 ZINC001606388510 1018821474 /nfs/dbraw/zinc/82/14/74/1018821474.db2.gz NSHADMWGVVMRQU-KXUCPTDWSA-N -1 0 301.295 -0.733 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2ccnn2C)C1 ZINC001606392936 1018822241 /nfs/dbraw/zinc/82/22/41/1018822241.db2.gz QWLXOGORPSPVAC-KOLCDFICSA-N -1 0 309.322 -0.173 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N2C[C@@H](CO)[C@H](CCO)C2)C1 ZINC001606395718 1018822366 /nfs/dbraw/zinc/82/23/66/1018822366.db2.gz OUPYOZUFCABZPO-WYUUTHIRSA-N -1 0 300.355 -0.128 20 0 DBADRM COC(=O)C1CCC(NC(=O)C[C@@H]2CC(=O)N2)(C(=O)[O-])CC1 ZINC001606396698 1018822428 /nfs/dbraw/zinc/82/24/28/1018822428.db2.gz PBPSPGCSNGLKPM-PUUHTONNSA-N -1 0 312.322 -0.432 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(Cc2nnc3n2CCOC3)C1 ZINC001606394453 1018822687 /nfs/dbraw/zinc/82/26/87/1018822687.db2.gz NFILAZACPOSYAD-NXEZZACHSA-N -1 0 324.337 -0.354 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCn2ccnn2)C1 ZINC001606392707 1018822831 /nfs/dbraw/zinc/82/28/31/1018822831.db2.gz PRXDVSUSYUTJQY-NXEZZACHSA-N -1 0 310.310 -0.467 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001606392479 1018822842 /nfs/dbraw/zinc/82/28/42/1018822842.db2.gz OANYOLQRAYOMFL-MNOVXSKESA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cnncc2O)C1 ZINC001606394604 1018822972 /nfs/dbraw/zinc/82/29/72/1018822972.db2.gz PCSCNJDWXVBEFZ-VXNVDRBHSA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cnc(C)nc2N)C1 ZINC001606395275 1018823133 /nfs/dbraw/zinc/82/31/33/1018823133.db2.gz VXVPLMUACNTCMU-SCZZXKLOSA-N -1 0 322.321 -0.154 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001606399909 1018823729 /nfs/dbraw/zinc/82/37/29/1018823729.db2.gz BDKNZOOSIOHQFA-BREBYQMCSA-N -1 0 317.363 -0.487 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001606405175 1018825234 /nfs/dbraw/zinc/82/52/34/1018825234.db2.gz YDENXKBRUSPZBE-QMMMGPOBSA-N -1 0 312.278 -0.089 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)[C@@H](C(=O)[O-])C1 ZINC001606409144 1018826945 /nfs/dbraw/zinc/82/69/45/1018826945.db2.gz YQBZUHJEWSPXMR-WCBMZHEXSA-N -1 0 323.305 -0.741 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)[C@@H](C(=O)[O-])C1 ZINC001606409216 1018827222 /nfs/dbraw/zinc/82/72/22/1018827222.db2.gz ZXFNKJXNHPZAQT-GMSGAONNSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)[C@H](C(=O)[O-])C1 ZINC001606409143 1018827253 /nfs/dbraw/zinc/82/72/53/1018827253.db2.gz YQBZUHJEWSPXMR-SCZZXKLOSA-N -1 0 323.305 -0.741 20 0 DBADRM COC(=O)C1CN(C(=O)/C=C/C=C\C(=O)N2CC(C(=O)[O-])C2)C1 ZINC001606415057 1018828202 /nfs/dbraw/zinc/82/82/02/1018828202.db2.gz BHKFRCHBSXYOMO-VOERYJCWSA-N -1 0 322.317 -0.727 20 0 DBADRM COC(=O)[C@H]1CCN(Cc2nnnn2C2CC2)[C@H](C(=O)[O-])C1 ZINC001606414515 1018828339 /nfs/dbraw/zinc/82/83/39/1018828339.db2.gz SVGXJCDKZWLTGY-WPRPVWTQSA-N -1 0 309.326 -0.154 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C2(O)CCSCC2)C[C@H]1C(=O)[O-] ZINC001606415200 1018828637 /nfs/dbraw/zinc/82/86/37/1018828637.db2.gz COVQSDXHBIXOEW-RKDXNWHRSA-N -1 0 317.363 -0.423 20 0 DBADRM COC(=O)[C@H]1CCN(S(=O)(=O)C2COC2)[C@@H](C(=O)[O-])C1 ZINC001606413508 1018828669 /nfs/dbraw/zinc/82/86/69/1018828669.db2.gz CPCHWFHKVWJGAT-IONNQARKSA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](NC(C)=O)C(C)C)C[C@H]1C(=O)[O-] ZINC001606417575 1018829226 /nfs/dbraw/zinc/82/92/26/1018829226.db2.gz QTTQQAAETYSESU-MXWKQRLJSA-N -1 0 314.338 -0.521 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(C)C2=O)C[C@H]1C(=O)[O-] ZINC001606417792 1018829526 /nfs/dbraw/zinc/82/95/26/1018829526.db2.gz SLGQBNMIZSPNFV-IVZWLZJFSA-N -1 0 312.322 -0.813 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@@H]1C(=O)[O-] ZINC001606416363 1018829568 /nfs/dbraw/zinc/82/95/68/1018829568.db2.gz MNPCNPWOKNEYLT-IVZWLZJFSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCCF)C[C@H]1C(=O)[O-] ZINC001606418159 1018829681 /nfs/dbraw/zinc/82/96/81/1018829681.db2.gz WNLFNBZFAHPSKJ-BDAKNGLRSA-N -1 0 318.301 -0.863 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCCF)C[C@@H]1C(=O)[O-] ZINC001606418161 1018829751 /nfs/dbraw/zinc/82/97/51/1018829751.db2.gz WNLFNBZFAHPSKJ-IUCAKERBSA-N -1 0 318.301 -0.863 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@H]1C(=O)[O-] ZINC001606418000 1018830066 /nfs/dbraw/zinc/83/00/66/1018830066.db2.gz VHRIJELVNXJZII-FBIMIBRVSA-N -1 0 321.333 -0.153 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@@H]1C(=O)[O-] ZINC001606420456 1018830868 /nfs/dbraw/zinc/83/08/68/1018830868.db2.gz UXWLODLNNRDBPQ-QWRGUYRKSA-N -1 0 322.317 -0.511 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc[n+]([O-])c2)C[C@H]1C(=O)[O-] ZINC001606422464 1018830979 /nfs/dbraw/zinc/83/09/79/1018830979.db2.gz MWXFGWSTCBUJRL-NXEZZACHSA-N -1 0 309.278 -0.343 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2cn(C)cn2)C[C@@H]1C(=O)[O-] ZINC001606420642 1018831255 /nfs/dbraw/zinc/83/12/55/1018831255.db2.gz IIVQBAFCBXPRHQ-VHSXEESVSA-N -1 0 310.310 -0.565 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1C(=O)[O-] ZINC001606420455 1018831288 /nfs/dbraw/zinc/83/12/88/1018831288.db2.gz UXWLODLNNRDBPQ-MNOVXSKESA-N -1 0 322.317 -0.511 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCC(C)(C)O)C[C@@H]1C(=O)[O-] ZINC001606421742 1018831468 /nfs/dbraw/zinc/83/14/68/1018831468.db2.gz KWHXOARCLSMGBQ-IUCAKERBSA-N -1 0 302.327 -0.337 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCC(C)(C)O)C[C@@H]1C(=O)[O-] ZINC001606421740 1018831670 /nfs/dbraw/zinc/83/16/70/1018831670.db2.gz KWHXOARCLSMGBQ-DTWKUNHWSA-N -1 0 302.327 -0.337 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@@H]1C(=O)[O-] ZINC001606423951 1018832705 /nfs/dbraw/zinc/83/27/05/1018832705.db2.gz XNFBJFCWPIHAOV-BQBZGAKWSA-N -1 0 319.277 -0.701 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2cnc(C)o2)C[C@H]1C(=O)[O-] ZINC001606424993 1018832785 /nfs/dbraw/zinc/83/27/85/1018832785.db2.gz ZATFQCCYHRHXNC-NXEZZACHSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1C(=O)[O-] ZINC001606423781 1018832934 /nfs/dbraw/zinc/83/29/34/1018832934.db2.gz WBNMYKMMIDWSLR-DBIOUOCHSA-N -1 0 321.333 -0.144 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCOCCF)C[C@@H]1C(=O)[O-] ZINC001606423609 1018833135 /nfs/dbraw/zinc/83/31/35/1018833135.db2.gz RDZKDZLJKDNYGG-DTWKUNHWSA-N -1 0 306.290 -0.512 20 0 DBADRM COC(=O)[C@@H]1CN(CN2C[C@H](C(F)F)CC2=O)C[C@@H]1C(=O)[O-] ZINC001606429787 1018834155 /nfs/dbraw/zinc/83/41/55/1018834155.db2.gz KWPPOEFMXGWTKI-HRDYMLBCSA-N -1 0 320.292 -0.137 20 0 DBADRM COC(=O)[C@@H]1CN(CN2C[C@@H](C(F)F)CC2=O)C[C@H]1C(=O)[O-] ZINC001606429784 1018834436 /nfs/dbraw/zinc/83/44/36/1018834436.db2.gz KWPPOEFMXGWTKI-DJLDLDEBSA-N -1 0 320.292 -0.137 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CCc1nc(N(C)C)no1)C(=O)[O-] ZINC001606440041 1018838225 /nfs/dbraw/zinc/83/82/25/1018838225.db2.gz GTRNYOAAPHXTQG-SSDOTTSWSA-N -1 0 314.298 -0.799 20 0 DBADRM COC(=O)C[C@H](NC(=O)CN1CSCCSC1)C(=O)[O-] ZINC001606441099 1018838381 /nfs/dbraw/zinc/83/83/81/1018838381.db2.gz YAKONFHUCCGXEO-QMMMGPOBSA-N -1 0 322.408 -0.184 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccoc1CC(=O)[O-])C(=O)OC ZINC001606441955 1018838452 /nfs/dbraw/zinc/83/84/52/1018838452.db2.gz HLDZMOHUJFXRIN-QMMMGPOBSA-N -1 0 313.262 -0.259 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)c1coc(-c2nn[nH]n2)c1 ZINC001606442170 1018838520 /nfs/dbraw/zinc/83/85/20/1018838520.db2.gz FGXVAXSMBGNJCN-UHFFFAOYSA-N -1 0 314.327 -0.742 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001606442924 1018840555 /nfs/dbraw/zinc/84/05/55/1018840555.db2.gz BLHSHWXLGDWZFR-LPEHRKFASA-N -1 0 303.311 -0.561 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1Cc1cnc(C(=O)[O-])cn1 ZINC001606447253 1018840919 /nfs/dbraw/zinc/84/09/19/1018840919.db2.gz WHNRVYCYDLLIMQ-SNVBAGLBSA-N -1 0 308.294 -0.962 20 0 DBADRM COC(=O)CCSCCNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001606454659 1018841318 /nfs/dbraw/zinc/84/13/18/1018841318.db2.gz FSWQYVHOZXLFNV-UHFFFAOYSA-N -1 0 315.351 -0.006 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001606449458 1018841481 /nfs/dbraw/zinc/84/14/81/1018841481.db2.gz FUYGLVBVWXJDPN-ZETCQYMHSA-N -1 0 304.253 -0.244 20 0 DBADRM COC(=O)CC[C@@H]1CC[C@H](C(=O)NC[C@@H](O)CC(=O)[O-])O1 ZINC001606460013 1018843101 /nfs/dbraw/zinc/84/31/01/1018843101.db2.gz LUNHEGAUPVZTPY-LPEHRKFASA-N -1 0 303.311 -0.561 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cc2n(n1)CCCO2)C(=O)[O-] ZINC001606459753 1018843675 /nfs/dbraw/zinc/84/36/75/1018843675.db2.gz FAUNXIOKHPTBRF-MRVPVSSYSA-N -1 0 311.294 -0.198 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H](C)[C@@H]1CCC(=O)N1)C(=O)[O-] ZINC001606457828 1018843825 /nfs/dbraw/zinc/84/38/25/1018843825.db2.gz AWVWVVGXVZENST-XHNCKOQMSA-N -1 0 300.311 -0.576 20 0 DBADRM COC(=O)CN(CC(C)C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606468427 1018844671 /nfs/dbraw/zinc/84/46/71/1018844671.db2.gz BWXUVFJXMNLZIC-UHFFFAOYSA-N -1 0 319.339 -0.072 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001606468158 1018844986 /nfs/dbraw/zinc/84/49/86/1018844986.db2.gz PBDCJSOGBGBYEC-UHFFFAOYSA-N -1 0 309.278 -0.241 20 0 DBADRM COC(=O)CNC(=O)Cn1cnc2cc(C(=O)[O-])ccc2c1=O ZINC001606470866 1018845114 /nfs/dbraw/zinc/84/51/14/1018845114.db2.gz LDYQIAXJBRFOEG-UHFFFAOYSA-N -1 0 319.273 -0.616 20 0 DBADRM COC(=O)CN1CCN(CC(=O)c2cc(C(=O)[O-])[nH]c2C)CC1 ZINC001606471316 1018845194 /nfs/dbraw/zinc/84/51/94/1018845194.db2.gz AYSKUSVGFOEESV-UHFFFAOYSA-N -1 0 323.349 -0.005 20 0 DBADRM COC(=O)COCC(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001606470721 1018845395 /nfs/dbraw/zinc/84/53/95/1018845395.db2.gz DBHMRHZNRJDRKG-RKDXNWHRSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)COCC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001606470821 1018845525 /nfs/dbraw/zinc/84/55/25/1018845525.db2.gz JHDCPSDDFDYZNR-NXEZZACHSA-N -1 0 303.311 -0.438 20 0 DBADRM COC(=O)CNC(=O)c1cscc1CC(=O)NCC(=O)[O-] ZINC001606470772 1018845542 /nfs/dbraw/zinc/84/55/42/1018845542.db2.gz GRDUMOHROXFRSX-UHFFFAOYSA-N -1 0 314.319 -0.606 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)C[C@]1(C)CC1(F)F ZINC001606468519 1018845582 /nfs/dbraw/zinc/84/55/82/1018845582.db2.gz IHCCLVSGHMRPAS-VIFPVBQESA-N -1 0 315.294 -0.079 20 0 DBADRM COCC(=O)NC/C=C\CNC(=O)c1c[n-]n2c1nccc2=O ZINC001501634871 1018845739 /nfs/dbraw/zinc/84/57/39/1018845739.db2.gz PAAFNPPHPQDYPM-IHWYPQMZSA-N -1 0 319.321 -0.929 20 0 DBADRM COC(=O)COCC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001606470983 1018845790 /nfs/dbraw/zinc/84/57/90/1018845790.db2.gz RGPGVWQMDZKRER-DTWKUNHWSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)N(C)CCN(C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606486193 1018846283 /nfs/dbraw/zinc/84/62/83/1018846283.db2.gz JQIQLPANFVVYPF-UHFFFAOYSA-N -1 0 321.311 -0.309 20 0 DBADRM COC(=O)Cc1occc1C(=O)N[C@H](CC(=O)OC)C(=O)[O-] ZINC001606484383 1018846357 /nfs/dbraw/zinc/84/63/57/1018846357.db2.gz SJQKMENFKPJTOE-MRVPVSSYSA-N -1 0 313.262 -0.259 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)N1CCSC[C@@H]1CC(=O)[O-] ZINC001606471524 1018846389 /nfs/dbraw/zinc/84/63/89/1018846389.db2.gz IFKCDMYWJYVUEH-IUCAKERBSA-N -1 0 304.368 -0.444 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC001606471712 1018846431 /nfs/dbraw/zinc/84/64/31/1018846431.db2.gz LROQJFZJGMTWPW-VIFPVBQESA-N -1 0 309.322 -0.111 20 0 DBADRM COC(=O)Cc1nc(NC(=O)c2ccc(C(=O)[O-])nc2)n[nH]1 ZINC001606484118 1018846910 /nfs/dbraw/zinc/84/69/10/1018846910.db2.gz PHIIZDJFLFKWIY-UHFFFAOYSA-N -1 0 305.250 -0.134 20 0 DBADRM COC(=O)C[C@@H](OC(=O)[C@H](C)Sc1nncn1C)C(=O)[O-] ZINC001606476593 1018847057 /nfs/dbraw/zinc/84/70/57/1018847057.db2.gz JJPNMFRIQUINKO-NKWVEPMBSA-N -1 0 317.323 -0.145 20 0 DBADRM COC(=O)NCCC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001606493800 1018847885 /nfs/dbraw/zinc/84/78/85/1018847885.db2.gz LDNWZIUGNDWXFS-QMMMGPOBSA-N -1 0 304.299 -0.545 20 0 DBADRM COC(=O)N(C)CCNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001606487672 1018847786 /nfs/dbraw/zinc/84/77/86/1018847786.db2.gz CLENJMFYFUSWQM-UHFFFAOYSA-N -1 0 317.323 -0.244 20 0 DBADRM O=C([O-])c1ccc(CNS(=O)(=O)[C@@H]2COC[C@H]2O)cc1 ZINC001606495391 1018848452 /nfs/dbraw/zinc/84/84/52/1018848452.db2.gz WWEKOGJPVJEDMO-GHMZBOCLSA-N -1 0 301.320 -0.436 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)C[C@H]1CCOC[C@H]1OC ZINC001606501503 1018848543 /nfs/dbraw/zinc/84/85/43/1018848543.db2.gz WKVRGUONBCKBDU-OPRDCNLKSA-N -1 0 304.295 -0.013 20 0 DBADRM COC(=O)NCCNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC001606494548 1018848651 /nfs/dbraw/zinc/84/86/51/1018848651.db2.gz DXYVXNFTQMOLRX-SNVBAGLBSA-N -1 0 316.358 -0.467 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC001606488255 1018848741 /nfs/dbraw/zinc/84/87/41/1018848741.db2.gz VOMLBOGCNKPIJF-JTQLQIEISA-N -1 0 315.326 -0.696 20 0 DBADRM CC(C)=CC(=O)NC/C=C\CNC(=O)c1cnc([O-])n(C)c1=O ZINC001501660130 1018848965 /nfs/dbraw/zinc/84/89/65/1018848965.db2.gz RQXPYWRXSDPEOC-PLNGDYQASA-N -1 0 320.349 -0.146 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CC[C@@](OC)(C(=O)[O-])C2)C1 ZINC001606488236 1018848958 /nfs/dbraw/zinc/84/89/58/1018848958.db2.gz UXYNBOMJMRWVNJ-LBPRGKRZSA-N -1 0 301.299 -0.678 20 0 DBADRM COC(=O)[C@@H](NC(=O)CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1)C(C)C ZINC001606505914 1018849370 /nfs/dbraw/zinc/84/93/70/1018849370.db2.gz NCWJVDVZFMYOCL-FOGDFJRCSA-N -1 0 316.354 -0.526 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CN(C)C(=O)C1CC1 ZINC001606504947 1018850401 /nfs/dbraw/zinc/85/04/01/1018850401.db2.gz IIBQABUFLUSLHW-SECBINFHSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C(C)C ZINC001606506382 1018850494 /nfs/dbraw/zinc/85/04/94/1018850494.db2.gz WZRVQWZPBOWKFZ-KOLCDFICSA-N -1 0 314.338 -0.377 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1 ZINC001606519542 1018850928 /nfs/dbraw/zinc/85/09/28/1018850928.db2.gz OELKNSXFHPXGLX-DOLQZWNJSA-N -1 0 300.311 -0.585 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)C1(F)F ZINC001606513678 1018851107 /nfs/dbraw/zinc/85/11/07/1018851107.db2.gz CLMGGXRAGSMHHE-HSNKUXOKSA-N -1 0 307.249 -0.211 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001606515222 1018851261 /nfs/dbraw/zinc/85/12/61/1018851261.db2.gz SHAAGNSMLKNSNG-RKDXNWHRSA-N -1 0 321.351 -0.651 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC001606511235 1018851316 /nfs/dbraw/zinc/85/13/16/1018851316.db2.gz RHSVROYLDIXZEH-QEYWKRMJSA-N -1 0 321.351 -0.558 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1 ZINC001606519543 1018851463 /nfs/dbraw/zinc/85/14/63/1018851463.db2.gz OELKNSXFHPXGLX-IMSYWVGJSA-N -1 0 300.311 -0.585 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606515327 1018851496 /nfs/dbraw/zinc/85/14/96/1018851496.db2.gz VOIXNITUDDSIFI-DOLQZWNJSA-N -1 0 321.351 -0.653 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)Nc1nc(C)cc(C(=O)[O-])n1 ZINC001606515763 1018851807 /nfs/dbraw/zinc/85/18/07/1018851807.db2.gz HBNYCCREYOMMER-YUMQZZPRSA-N -1 0 310.310 -0.039 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)N(CC(=O)[O-])C2CCOCC2)O1 ZINC001606515896 1018851884 /nfs/dbraw/zinc/85/18/84/1018851884.db2.gz BWUJJHCJFJZVEP-WDEREUQCSA-N -1 0 315.322 -0.201 20 0 DBADRM O=C([O-])c1ccccc1CNS(=O)(=O)[C@@H]1COC[C@H]1O ZINC001606522851 1018852227 /nfs/dbraw/zinc/85/22/27/1018852227.db2.gz LUUMHINSGSQAMR-GHMZBOCLSA-N -1 0 301.320 -0.436 20 0 DBADRM O=C(CCc1cccnc1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001606530893 1018852658 /nfs/dbraw/zinc/85/26/58/1018852658.db2.gz GHZWQAOSMYCLNO-UHFFFAOYSA-N -1 0 313.325 -0.398 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)C1 ZINC001606520330 1018853522 /nfs/dbraw/zinc/85/35/22/1018853522.db2.gz YOBAXFQUJKUGFU-ZYUZMQFOSA-N -1 0 312.322 -0.624 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN1CCN(C2CC2)C(=O)C1 ZINC001606538252 1018853617 /nfs/dbraw/zinc/85/36/17/1018853617.db2.gz MZSPVWAMPPUOEK-UHFFFAOYSA-N -1 0 322.321 -0.368 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cccc3ncnn31)C2 ZINC001606553507 1018854315 /nfs/dbraw/zinc/85/43/15/1018854315.db2.gz QUSCZDRJLJIPDA-XPTSAGLGSA-N -1 0 302.290 -0.098 20 0 DBADRM O=C(CNC(=O)C1CC1)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001606550627 1018854520 /nfs/dbraw/zinc/85/45/20/1018854520.db2.gz GEMXJQUMQNVJAR-UHFFFAOYSA-N -1 0 302.294 -0.197 20 0 DBADRM O=C([O-])C1(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CCOCC1 ZINC001606560505 1018855240 /nfs/dbraw/zinc/85/52/40/1018855240.db2.gz WGXSCAUDHPFIHR-QWRGUYRKSA-N -1 0 310.350 -0.005 20 0 DBADRM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCCO ZINC001606584826 1018856816 /nfs/dbraw/zinc/85/68/16/1018856816.db2.gz VHWCNIVNMZASQM-UHFFFAOYSA-N -1 0 303.292 -0.558 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)nc1)N1CCSC[C@H]1CO ZINC001606594196 1018857377 /nfs/dbraw/zinc/85/73/77/1018857377.db2.gz FTAKQUWIUCPLRZ-SNVBAGLBSA-N -1 0 320.378 -0.260 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])n1C ZINC001606571726 1018857452 /nfs/dbraw/zinc/85/74/52/1018857452.db2.gz AERIEWCPTIAVLZ-JTQLQIEISA-N -1 0 323.305 -0.821 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)n(C)c1 ZINC001606570320 1018857669 /nfs/dbraw/zinc/85/76/69/1018857669.db2.gz ACJAZUBXAUFYNX-XWEPSHTISA-N -1 0 316.335 -0.047 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC3(CC2)NC(=O)NC3=O)CC=CC1 ZINC001606570085 1018857940 /nfs/dbraw/zinc/85/79/40/1018857940.db2.gz VQIHKAMAJJBQFC-UHFFFAOYSA-N -1 0 307.306 -0.392 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1coc2c1C(=O)NCCC2 ZINC001606570220 1018857951 /nfs/dbraw/zinc/85/79/51/1018857951.db2.gz YCPFAJZHECHGFE-VIFPVBQESA-N -1 0 308.290 -0.119 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)ccc1=O)NC(=O)NC1CC1 ZINC001606617656 1018858225 /nfs/dbraw/zinc/85/82/25/1018858225.db2.gz XRKFYAXCFQCSBG-UHFFFAOYSA-N -1 0 303.282 -0.983 20 0 DBADRM COC(=O)c1ccc2c(c1)ncn(CC(=O)NCC(=O)[O-])c2=O ZINC001606605576 1018859081 /nfs/dbraw/zinc/85/90/81/1018859081.db2.gz NQOYFZGJLNCWOR-UHFFFAOYSA-N -1 0 319.273 -0.616 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])cn1 ZINC001606605602 1018859111 /nfs/dbraw/zinc/85/91/11/1018859111.db2.gz SVWKXCODZRXCJR-QMMMGPOBSA-N -1 0 306.271 -0.431 20 0 DBADRM O=C(Cn1ccc(-c2nnn[n-]2)cc1=O)N[C@H]1CCSC1=O ZINC001606616322 1018859136 /nfs/dbraw/zinc/85/91/36/1018859136.db2.gz PHZHJESTVFLHJT-QMMMGPOBSA-N -1 0 320.334 -0.823 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN2CCOC[C@H]2C(=O)[O-])n1 ZINC001606614390 1018859337 /nfs/dbraw/zinc/85/93/37/1018859337.db2.gz QSIXOZPNRXTCPH-JTQLQIEISA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)c1cccc([C@@H](C(=O)[O-])N2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC001606613508 1018859571 /nfs/dbraw/zinc/85/95/71/1018859571.db2.gz UPVYKBDVLSAUKU-WOPDTQHZSA-N -1 0 322.317 -0.481 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2ccnn2C)c1[O-] ZINC001501727276 1018860407 /nfs/dbraw/zinc/86/04/07/1018860407.db2.gz QADAVVMBIHCHTK-ARJAWSKDSA-N -1 0 318.337 -0.127 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001606620803 1018860404 /nfs/dbraw/zinc/86/04/04/1018860404.db2.gz QWMVCMFXOBHFSM-GUBZILKMSA-N -1 0 318.341 -0.468 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCO[C@H]2CCCC[C@@H]21 ZINC001606621105 1018860793 /nfs/dbraw/zinc/86/07/93/1018860793.db2.gz XVBYDVSPHBNYAD-UWVGGRQHSA-N -1 0 318.341 -0.372 20 0 DBADRM COC(=O)c1cn(CC(=O)OCc2cccc(C(=O)[O-])n2)nn1 ZINC001606624604 1018861533 /nfs/dbraw/zinc/86/15/33/1018861533.db2.gz BOEFUCKRVLFYQR-UHFFFAOYSA-N -1 0 320.261 -0.099 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001606625751 1018862057 /nfs/dbraw/zinc/86/20/57/1018862057.db2.gz NSVJFOWMECBYPY-RQJHMYQMSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)c1coc(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])n1 ZINC001606631521 1018862301 /nfs/dbraw/zinc/86/23/01/1018862301.db2.gz WTXCTXCSPXIYIH-ZCFIWIBFSA-N -1 0 306.296 -0.399 20 0 DBADRM CO[C@H](C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)C1CC1 ZINC001606644658 1018863877 /nfs/dbraw/zinc/86/38/77/1018863877.db2.gz UIADWHCVLWWIFR-SWLSCSKDSA-N -1 0 312.366 -0.201 20 0 DBADRM CO[C@H](C)C(=O)NC[C@@H]1COCCN1c1ncc(C(=O)[O-])cn1 ZINC001606660151 1018864031 /nfs/dbraw/zinc/86/40/31/1018864031.db2.gz WVESISHCEPQATJ-MWLCHTKSSA-N -1 0 324.337 -0.469 20 0 DBADRM COC(C)(C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1 ZINC001606656074 1018864230 /nfs/dbraw/zinc/86/42/30/1018864230.db2.gz IJOXVPMZWGIGMR-SECBINFHSA-N -1 0 305.356 -0.110 20 0 DBADRM CO[C@H](C)C(=O)NC[C@H]1COCCN1c1ncc(C(=O)[O-])cn1 ZINC001606660149 1018864436 /nfs/dbraw/zinc/86/44/36/1018864436.db2.gz WVESISHCEPQATJ-KOLCDFICSA-N -1 0 324.337 -0.469 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 ZINC001606652730 1018864583 /nfs/dbraw/zinc/86/45/83/1018864583.db2.gz GVXGEVQWBZSDPJ-ZANVPECISA-N -1 0 302.327 -0.517 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(F)(F)F ZINC001606681163 1018865493 /nfs/dbraw/zinc/86/54/93/1018865493.db2.gz YZLBTQQWWFNAFM-YFKPBYRVSA-N -1 0 317.245 -0.037 20 0 DBADRM COC(CN(CCC(=O)[O-])S(=O)(=O)Cc1ccon1)OC ZINC001606674745 1018865991 /nfs/dbraw/zinc/86/59/91/1018865991.db2.gz QAGPSDFKEUMZHI-UHFFFAOYSA-N -1 0 322.339 -0.100 20 0 DBADRM CO[C@@H](CC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-])C(F)(F)F ZINC001606671030 1018866151 /nfs/dbraw/zinc/86/61/51/1018866151.db2.gz VNWXETUYZMKLOW-BQBZGAKWSA-N -1 0 312.244 -0.292 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1CC1 ZINC001606683528 1018866688 /nfs/dbraw/zinc/86/66/88/1018866688.db2.gz VWNIOMBTLSXSBJ-NRPADANISA-N -1 0 322.383 -0.691 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@H](CO)C(=O)[O-])c1ccccc1 ZINC001606683098 1018866861 /nfs/dbraw/zinc/86/68/61/1018866861.db2.gz OVNCMUGERFDOET-GHMZBOCLSA-N -1 0 303.336 -0.261 20 0 DBADRM CO[C@@]1(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001606690407 1018866899 /nfs/dbraw/zinc/86/68/99/1018866899.db2.gz NPZGMHRMBZZYJT-NRUUGDAUSA-N -1 0 319.379 -0.050 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-])[C@H]1CCOC1 ZINC001606683944 1018867089 /nfs/dbraw/zinc/86/70/89/1018867089.db2.gz ZRBVMRAVPANNPZ-XWLWVQCSSA-N -1 0 323.367 -0.801 20 0 DBADRM CO[C@@]1(C(=O)NCc2ocnc2C(=O)[O-])CCS(=O)(=O)C1 ZINC001606690434 1018867160 /nfs/dbraw/zinc/86/71/60/1018867160.db2.gz PIAFTYNCKKAPOS-NSHDSACASA-N -1 0 318.307 -0.807 20 0 DBADRM CO[C@]1(C(=O)N[C@H](CC(=O)[O-])C2CC2)CCS(=O)(=O)C1 ZINC001606690440 1018867494 /nfs/dbraw/zinc/86/74/94/1018867494.db2.gz PXAXHEUZTOOBFZ-BXKDBHETSA-N -1 0 305.352 -0.440 20 0 DBADRM COC1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CCCC1 ZINC001606690482 1018867698 /nfs/dbraw/zinc/86/76/98/1018867698.db2.gz RXCNOFVOHCUCNW-JOYOIKCWSA-N -1 0 319.379 -0.050 20 0 DBADRM COC1(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCOCC1 ZINC001606688929 1018867788 /nfs/dbraw/zinc/86/77/88/1018867788.db2.gz PZABVMWNAGAJDD-SNVBAGLBSA-N -1 0 324.337 -0.055 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@@](C)(O)Cn2ccccc2=O)C1 ZINC001606696692 1018868175 /nfs/dbraw/zinc/86/81/75/1018868175.db2.gz NAWQFOMTXCMJSX-LSDHHAIUSA-N -1 0 324.333 -0.699 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@H]2COCCN2C)C1 ZINC001606697332 1018868227 /nfs/dbraw/zinc/86/82/27/1018868227.db2.gz BMVZRIBNIAJZKW-GWCFXTLKSA-N -1 0 301.343 -0.798 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H](C)c2cccnc2)C1 ZINC001606692596 1018868467 /nfs/dbraw/zinc/86/84/67/1018868467.db2.gz YVOMMZVPJNOFOZ-ZUZCIYMTSA-N -1 0 321.333 -0.039 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2ccc(C)o2)C1 ZINC001606696654 1018868516 /nfs/dbraw/zinc/86/85/16/1018868516.db2.gz MEYAIQUQPBBWFR-CQSZACIVSA-N -1 0 310.306 -0.094 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](C)O)C1 ZINC001606691906 1018868616 /nfs/dbraw/zinc/86/86/16/1018868616.db2.gz SKSNTAUBQSBZHZ-RULNRJAQSA-N -1 0 314.338 -0.940 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)Cc2cc[nH]n2)C1 ZINC001606691901 1018868622 /nfs/dbraw/zinc/86/86/22/1018868622.db2.gz SJOIEOJXTAOVPC-CYBMUJFWSA-N -1 0 310.310 -0.930 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001606695295 1018868824 /nfs/dbraw/zinc/86/88/24/1018868824.db2.gz ATIBDMLATOMKNK-YMTOWFKASA-N -1 0 308.338 -0.378 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NC[C@H]2COCCN2C)C1 ZINC001606697333 1018868988 /nfs/dbraw/zinc/86/89/88/1018868988.db2.gz BMVZRIBNIAJZKW-GXFFZTMASA-N -1 0 301.343 -0.798 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2nc3nccc(C)n3n2)C1 ZINC001606700060 1018869629 /nfs/dbraw/zinc/86/96/29/1018869629.db2.gz DSFAGUCYXOBNCJ-CYBMUJFWSA-N -1 0 305.294 -0.252 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CN2CCCCC(=O)C2=O)C1 ZINC001606698229 1018869809 /nfs/dbraw/zinc/86/98/09/1018869809.db2.gz UROPXUZOQMSXJD-CQSZACIVSA-N -1 0 312.322 -0.730 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)CN2CCCC2=O)C1 ZINC001606697946 1018869915 /nfs/dbraw/zinc/86/99/15/1018869915.db2.gz SANLGEATHAFPLK-QMTHXVAHSA-N -1 0 313.354 -0.118 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)CN2CCOCC2)C1 ZINC001606697928 1018870034 /nfs/dbraw/zinc/87/00/34/1018870034.db2.gz RNIJBNBPFWOGSE-BXUZGUMPSA-N -1 0 315.370 -0.408 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001606700784 1018870150 /nfs/dbraw/zinc/87/01/50/1018870150.db2.gz RHFGZVASIQBAQN-CYBMUJFWSA-N -1 0 318.293 -0.423 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)CN2CCOCC2)C1 ZINC001606697929 1018870406 /nfs/dbraw/zinc/87/04/06/1018870406.db2.gz RNIJBNBPFWOGSE-FZMZJTMJSA-N -1 0 315.370 -0.408 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cn(C)c(Cl)n2)C1 ZINC001606705930 1018870876 /nfs/dbraw/zinc/87/08/76/1018870876.db2.gz HQTXXCNRSHRYQW-SNVBAGLBSA-N -1 0 323.758 -0.062 20 0 DBADRM CO[C@]1(C)CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC001606714972 1018871467 /nfs/dbraw/zinc/87/14/67/1018871467.db2.gz QOBIEPVRSUOMKX-QMTHXVAHSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@]1(CNC(=O)N2CC[C@@](OC)(C(=O)[O-])C2)CCOC1 ZINC001606716845 1018871788 /nfs/dbraw/zinc/87/17/88/1018871788.db2.gz MHVDBQXDKJBNDP-STQMWFEESA-N -1 0 302.327 -0.323 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(Cc2nnc3c(=O)n(C)ccn23)C1 ZINC001606705987 1018871970 /nfs/dbraw/zinc/87/19/70/1018871970.db2.gz IHZBZVVXLKTRPZ-ZDUSSCGKSA-N -1 0 307.310 -0.897 20 0 DBADRM CO[C@@]1(C(=O)OCC2(C(=O)[O-])CCC2)CCS(=O)(=O)C1 ZINC001606706845 1018872186 /nfs/dbraw/zinc/87/21/86/1018872186.db2.gz AGAQMLICRIQUFV-LBPRGKRZSA-N -1 0 306.336 -0.012 20 0 DBADRM CO[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)C1 ZINC001606732923 1018872516 /nfs/dbraw/zinc/87/25/16/1018872516.db2.gz MYWZKQXVWCVNMH-ZJUUUORDSA-N -1 0 324.337 -0.102 20 0 DBADRM COC1(CS(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CCC1 ZINC001606721271 1018872599 /nfs/dbraw/zinc/87/25/99/1018872599.db2.gz WGBFOAHUFSDDCV-ZJUUUORDSA-N -1 0 307.368 -0.347 20 0 DBADRM COC1(CS(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])CCOCC1 ZINC001606721288 1018872713 /nfs/dbraw/zinc/87/27/13/1018872713.db2.gz WOLDDABYMSDZTQ-NXEZZACHSA-N -1 0 307.368 -0.178 20 0 DBADRM COC1(OC)CCN(C(=O)CCSCC(=O)[O-])C[C@H]1O ZINC001606722663 1018872830 /nfs/dbraw/zinc/87/28/30/1018872830.db2.gz KFVBRRGPBCSNCH-SECBINFHSA-N -1 0 307.368 -0.223 20 0 DBADRM CO[C@H]1CC[C@H](NC(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001606732913 1018873513 /nfs/dbraw/zinc/87/35/13/1018873513.db2.gz MNTDXCVGRIXJMM-UWVGGRQHSA-N -1 0 301.343 -0.166 20 0 DBADRM CO[C@@H]1CCN(Cc2nnc3c(=O)n(C)ccn23)[C@H](C(=O)[O-])C1 ZINC001606762493 1018874431 /nfs/dbraw/zinc/87/44/31/1018874431.db2.gz ZWXASOLRQHUNQH-ZJUUUORDSA-N -1 0 321.337 -0.508 20 0 DBADRM COCC(=O)N1CCC[C@](CO)(Nc2ncc(C(=O)[O-])cn2)C1 ZINC001606772970 1018874985 /nfs/dbraw/zinc/87/49/85/1018874985.db2.gz ZKTRNLUDYUPHJD-AWEZNQCLSA-N -1 0 324.337 -0.413 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001606770907 1018875106 /nfs/dbraw/zinc/87/51/06/1018875106.db2.gz OUIWUGJSNDYRKN-LPEHRKFASA-N -1 0 320.367 -0.553 20 0 DBADRM COCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCOCC1 ZINC001606774540 1018875130 /nfs/dbraw/zinc/87/51/30/1018875130.db2.gz RTEDAMBDHURSIK-NXEZZACHSA-N -1 0 314.338 -0.865 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606771410 1018875477 /nfs/dbraw/zinc/87/54/77/1018875477.db2.gz STJBHWLNQAPKMM-RKDXNWHRSA-N -1 0 320.323 -0.203 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001606772362 1018875724 /nfs/dbraw/zinc/87/57/24/1018875724.db2.gz VHLWXMTVKABJGC-WRWGMCAJSA-N -1 0 316.354 -0.485 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CN1CCN(C2CC2)C1=O ZINC001606779195 1018876868 /nfs/dbraw/zinc/87/68/68/1018876868.db2.gz GUUJCZPQZIIDIC-CQSZACIVSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)[C@H]1CC12CC2 ZINC001606780889 1018877004 /nfs/dbraw/zinc/87/70/04/1018877004.db2.gz PUFBJQBPQUEYAB-MRVPVSSYSA-N -1 0 300.326 -0.593 20 0 DBADRM COC[C@H](C)[C@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001606793110 1018878112 /nfs/dbraw/zinc/87/81/12/1018878112.db2.gz IJSAOUSRLNCFRG-LPEHRKFASA-N -1 0 307.368 -0.385 20 0 DBADRM COC[C@](C)(NC(=O)c1coc(S(C)(=O)=O)c1)C(=O)[O-] ZINC001606791317 1018877904 /nfs/dbraw/zinc/87/79/04/1018877904.db2.gz OUFFOBIOCAZTQW-NSHDSACASA-N -1 0 305.308 -0.097 20 0 DBADRM COC[C@](C)(O)c1nnc(N2CC[C@@](F)(C(=O)[O-])C2)n1C ZINC001606792309 1018877998 /nfs/dbraw/zinc/87/79/98/1018877998.db2.gz MVDSNMURNWTCFU-RYUDHWBXSA-N -1 0 302.306 -0.328 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001606798626 1018878147 /nfs/dbraw/zinc/87/81/47/1018878147.db2.gz QYVMETIZYAZZGH-RKDXNWHRSA-N -1 0 308.356 -0.984 20 0 DBADRM COC[C@@](C)(NC(=O)c1nnn(-c2ccn(C)n2)c1C)C(=O)[O-] ZINC001606792044 1018878350 /nfs/dbraw/zinc/87/83/50/1018878350.db2.gz ZSIHRGYSDWCOFY-CYBMUJFWSA-N -1 0 322.325 -0.471 20 0 DBADRM COC[C@@H]([C@H]1CCCO1)N1C(=O)N[C@H](CCC(=O)[O-])C1=O ZINC001606799042 1018878679 /nfs/dbraw/zinc/87/86/79/1018878679.db2.gz AQQQMZBRPZUXPD-KXUCPTDWSA-N -1 0 300.311 -0.034 20 0 DBADRM COC[C@](C)(NC(=O)CNC(=O)c1ncccc1O)C(=O)[O-] ZINC001606788014 1018878428 /nfs/dbraw/zinc/87/84/28/1018878428.db2.gz OQODBOIUMYFQFG-ZDUSSCGKSA-N -1 0 311.294 -0.877 20 0 DBADRM COC[C@H](CNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)OC ZINC001606800268 1018879296 /nfs/dbraw/zinc/87/92/96/1018879296.db2.gz GTNKHLYLWLRKBC-QWRGUYRKSA-N -1 0 304.343 -0.485 20 0 DBADRM COC[C@@H](CNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)OC ZINC001606800265 1018879450 /nfs/dbraw/zinc/87/94/50/1018879450.db2.gz GTNKHLYLWLRKBC-GHMZBOCLSA-N -1 0 304.343 -0.485 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NCC1(C2CC2)CC1 ZINC001606803376 1018879470 /nfs/dbraw/zinc/87/94/70/1018879470.db2.gz UPBACUOABPREOQ-UHFFFAOYSA-N -1 0 317.357 -0.052 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001606803006 1018879572 /nfs/dbraw/zinc/87/95/72/1018879572.db2.gz PRBUYOOQGLBPGK-OPRDCNLKSA-N -1 0 317.357 -0.054 20 0 DBADRM COC[C@H](CCNC(=O)N1CCO[C@H](CC(=O)[O-])C1)OC ZINC001606799852 1018880041 /nfs/dbraw/zinc/88/00/41/1018880041.db2.gz QDAZZBPFAQNZSH-WDEREUQCSA-N -1 0 304.343 -0.077 20 0 DBADRM COCC(COC)S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])[C@H]2C[C@H]21 ZINC001606804153 1018879744 /nfs/dbraw/zinc/87/97/44/1018879744.db2.gz DFGLCWGCCNWGFH-ZRUFSTJUSA-N -1 0 307.368 -0.324 20 0 DBADRM COC[C@@H](NC(=O)NCCOCC(=O)[O-])[C@@H]1CCCOC1 ZINC001606807747 1018881143 /nfs/dbraw/zinc/88/11/43/1018881143.db2.gz QFFWAPFTCDXLIX-GHMZBOCLSA-N -1 0 304.343 -0.172 20 0 DBADRM COC[C@@H](NC(=O)c1ccnc(N2CCOCC2)n1)C(=O)[O-] ZINC001606813126 1018881517 /nfs/dbraw/zinc/88/15/17/1018881517.db2.gz PPMRMSPOXQSMRJ-SNVBAGLBSA-N -1 0 310.310 -0.857 20 0 DBADRM COC[C@H](NC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)[O-] ZINC001606806176 1018882040 /nfs/dbraw/zinc/88/20/40/1018882040.db2.gz ITFSAWNVPUYLSQ-JGVFFNPUSA-N -1 0 314.260 -0.535 20 0 DBADRM COC[C@H](NC(=O)[C@H]1COCCN1C1CCCC1)C(=O)[O-] ZINC001606806275 1018882047 /nfs/dbraw/zinc/88/20/47/1018882047.db2.gz LTMFAHJLOIYIGO-NWDGAFQWSA-N -1 0 300.355 -0.154 20 0 DBADRM COC[C@H](NC(=O)NCCOCC(=O)[O-])[C@@H]1CCCOC1 ZINC001606807748 1018882150 /nfs/dbraw/zinc/88/21/50/1018882150.db2.gz QFFWAPFTCDXLIX-MNOVXSKESA-N -1 0 304.343 -0.172 20 0 DBADRM COCC1(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001606821794 1018882771 /nfs/dbraw/zinc/88/27/71/1018882771.db2.gz KEEMPQPNWQVUNL-GHMZBOCLSA-N -1 0 301.339 -0.276 20 0 DBADRM COC[C@H](NS(=O)(=O)Cc1ccccc1C(=O)[O-])C(N)=O ZINC001606816520 1018883044 /nfs/dbraw/zinc/88/30/44/1018883044.db2.gz ZDIVQEZFGXYDBX-JTQLQIEISA-N -1 0 316.335 -0.696 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1c(C)csc1C(=O)[O-])C(N)=O ZINC001606816519 1018883377 /nfs/dbraw/zinc/88/33/77/1018883377.db2.gz ZBDRJCQFLSZURG-ZCFIWIBFSA-N -1 0 322.364 -0.467 20 0 DBADRM COC[C@H](OC)C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001606822031 1018883515 /nfs/dbraw/zinc/88/35/15/1018883515.db2.gz GXUUKGPIPSZDDC-AEJSXWLSSA-N -1 0 303.311 -0.487 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CCN=C2C1=NNN2C ZINC001606829927 1018884416 /nfs/dbraw/zinc/88/44/16/1018884416.db2.gz DPYKAFAYNGVDNS-OTYXRUKQSA-N -1 0 323.353 -0.697 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CC1CS(=O)(=O)C1 ZINC001606828941 1018884626 /nfs/dbraw/zinc/88/46/26/1018884626.db2.gz AVTCQQLGEMFUQH-LBPRGKRZSA-N -1 0 305.352 -0.487 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CC[C@@H](C(=O)OC)O1 ZINC001606829757 1018884890 /nfs/dbraw/zinc/88/48/90/1018884890.db2.gz WYNFCGQLBMLLNO-ISTVAULSSA-N -1 0 315.322 -0.201 20 0 DBADRM COCC1(S(=O)(=O)NCCC(=O)NCCC(=O)[O-])CC1 ZINC001606842775 1018886506 /nfs/dbraw/zinc/88/65/06/1018886506.db2.gz RZTFBKKXRYECBD-UHFFFAOYSA-N -1 0 308.356 -0.934 20 0 DBADRM COCC[C@H](NC(=O)[C@H]1COCCN1CC(F)F)C(=O)[O-] ZINC001606854720 1018887325 /nfs/dbraw/zinc/88/73/25/1018887325.db2.gz DRDSMDZQDWSXLT-DTWKUNHWSA-N -1 0 310.297 -0.442 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001606852637 1018887238 /nfs/dbraw/zinc/88/72/38/1018887238.db2.gz PMJMPSMWAUUJFO-MWLCHTKSSA-N -1 0 309.384 -0.101 20 0 DBADRM COC[C@H]1CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C[C@@H](C)O1 ZINC001606848435 1018887270 /nfs/dbraw/zinc/88/72/70/1018887270.db2.gz PEYJNGHDHVLCBS-WZRBSPASSA-N -1 0 302.371 -0.053 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)CCO1 ZINC001606848460 1018887588 /nfs/dbraw/zinc/88/75/88/1018887588.db2.gz PUDFGKMZGXVSRK-ILDUYXDCSA-N -1 0 314.338 -0.770 20 0 DBADRM COC[C@@H]1COCCN1C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606849536 1018887662 /nfs/dbraw/zinc/88/76/62/1018887662.db2.gz IAOWBGRYELEHGX-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM COCCC(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001606851261 1018888082 /nfs/dbraw/zinc/88/80/82/1018888082.db2.gz NAZHTXAKGRQMGG-ZJUUUORDSA-N -1 0 324.337 -0.733 20 0 DBADRM COCC[C@@H](NC(=O)CCN1C(=O)CCNC1=S)C(=O)[O-] ZINC001606854741 1018888085 /nfs/dbraw/zinc/88/80/85/1018888085.db2.gz FNHQIEOFIXXZRM-MRVPVSSYSA-N -1 0 317.367 -0.911 20 0 DBADRM COCCN1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001606895137 1018894192 /nfs/dbraw/zinc/89/41/92/1018894192.db2.gz KONUBJMKAXGXPC-UHFFFAOYSA-N -1 0 306.384 -0.413 20 0 DBADRM COC[C@H]1CN(C(=O)COCc2ocnc2C(=O)[O-])CCO1 ZINC001606847510 1018888232 /nfs/dbraw/zinc/88/82/32/1018888232.db2.gz DRXUBKPZWDZCHU-SECBINFHSA-N -1 0 314.294 -0.237 20 0 DBADRM COC[C@@H]1CN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CCO1 ZINC001606848203 1018888313 /nfs/dbraw/zinc/88/83/13/1018888313.db2.gz NJQUEZVPJHZNFN-GUBZILKMSA-N -1 0 317.342 -0.979 20 0 DBADRM COCC[C@@H](NC(=O)CCc1ocnc1C(=O)OC)C(=O)[O-] ZINC001606858069 1018888816 /nfs/dbraw/zinc/88/88/16/1018888816.db2.gz GYHMTLKIOMZWME-MRVPVSSYSA-N -1 0 314.294 0.000 20 0 DBADRM COCC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)[O-] ZINC001606858967 1018888943 /nfs/dbraw/zinc/88/89/43/1018888943.db2.gz GFKOKFIZNCVBCI-ZCFIWIBFSA-N -1 0 306.296 -0.854 20 0 DBADRM COCC[C@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)C(=O)[O-] ZINC001606859122 1018889036 /nfs/dbraw/zinc/88/90/36/1018889036.db2.gz VBRGVPJGUUGWAM-ONGXEEELSA-N -1 0 304.343 -0.621 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1C)C(N)=O ZINC001606863248 1018889077 /nfs/dbraw/zinc/88/90/77/1018889077.db2.gz WYDOIZRSOHUPQS-SSDOTTSWSA-N -1 0 320.323 -0.545 20 0 DBADRM COCCCNC(=O)[C@H](C)[N@@H+]1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001606869303 1018889557 /nfs/dbraw/zinc/88/95/57/1018889557.db2.gz HUVZHUSCBVTENQ-DCAQKATOSA-N -1 0 316.354 -0.667 20 0 DBADRM COCC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606855562 1018889731 /nfs/dbraw/zinc/88/97/31/1018889731.db2.gz IUOHGQRLLGFIDP-QMMMGPOBSA-N -1 0 311.294 -0.768 20 0 DBADRM COCCCOCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001606871230 1018890089 /nfs/dbraw/zinc/89/00/89/1018890089.db2.gz FLIZYIMWNZZPFH-WDEREUQCSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCCNC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001606869984 1018890141 /nfs/dbraw/zinc/89/01/41/1018890141.db2.gz QPFDQZXFOHSKLQ-LLVKDONJSA-N -1 0 315.370 -0.854 20 0 DBADRM COCCCCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001606870375 1018890331 /nfs/dbraw/zinc/89/03/31/1018890331.db2.gz ZGVFBICJJKCPSY-MNOVXSKESA-N -1 0 316.354 -0.835 20 0 DBADRM COCCCOCC(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001606871504 1018890402 /nfs/dbraw/zinc/89/04/02/1018890402.db2.gz MBKWIQZQZSYVHX-WDEREUQCSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCCS(=O)(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001606878352 1018890535 /nfs/dbraw/zinc/89/05/35/1018890535.db2.gz JILCAPYYIMQFEJ-ZJUUUORDSA-N -1 0 323.367 -0.309 20 0 DBADRM COCCCNC(=O)CN1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001606869465 1018890635 /nfs/dbraw/zinc/89/06/35/1018890635.db2.gz KIGSZZYYOHXRSK-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001606870506 1018891237 /nfs/dbraw/zinc/89/12/37/1018891237.db2.gz UMICFDZERHLKDR-CKYFFXLPSA-N -1 0 316.354 -0.524 20 0 DBADRM COCCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001606878872 1018891260 /nfs/dbraw/zinc/89/12/60/1018891260.db2.gz IVWGCUBMPNRIFM-OUAUKWLOSA-N -1 0 319.379 -0.241 20 0 DBADRM COCCN1C[C@H](C(=O)NC[C@]2(C(=O)[O-])CCOC2)CC1=O ZINC001606893454 1018891787 /nfs/dbraw/zinc/89/17/87/1018891787.db2.gz MKWXWGBKBIATES-QMTHXVAHSA-N -1 0 314.338 -0.911 20 0 DBADRM COCCN1CN([C@H]2CCCN(CCC(=O)[O-])C2=O)CC1=O ZINC001606894771 1018892236 /nfs/dbraw/zinc/89/22/36/1018892236.db2.gz HMOROZPFNZIRGH-NSHDSACASA-N -1 0 313.354 -0.800 20 0 DBADRM COCCNC(=O)CNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001606894459 1018892345 /nfs/dbraw/zinc/89/23/45/1018892345.db2.gz BLSZGOUJSIYUGC-VHSXEESVSA-N -1 0 322.383 -0.688 20 0 DBADRM COCCN1C[C@@H](C(=O)NC[C@@]2(C(=O)[O-])CCOC2)CC1=O ZINC001606893452 1018892506 /nfs/dbraw/zinc/89/25/06/1018892506.db2.gz MKWXWGBKBIATES-HZMBPMFUSA-N -1 0 314.338 -0.911 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)CC1=O ZINC001606892805 1018892644 /nfs/dbraw/zinc/89/26/44/1018892644.db2.gz ATIGXPZLAPNYNX-ZIQFBCGOSA-N -1 0 310.350 -0.293 20 0 DBADRM COCCOC[C@@H](C)NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606903468 1018893525 /nfs/dbraw/zinc/89/35/25/1018893525.db2.gz MOPSMHSWBAOIBN-BBBLOLIVSA-N -1 0 302.327 -0.867 20 0 DBADRM COCCOCCC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001606903571 1018893631 /nfs/dbraw/zinc/89/36/31/1018893631.db2.gz OTCJYMSRYYYTDI-MNOVXSKESA-N -1 0 317.338 -0.096 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606903270 1018893658 /nfs/dbraw/zinc/89/36/58/1018893658.db2.gz GUZZDKKCTGXOBB-GARJFASQSA-N -1 0 316.354 -0.524 20 0 DBADRM COCCOCC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001606901246 1018893973 /nfs/dbraw/zinc/89/39/73/1018893973.db2.gz VOARGVIPCSMXSM-GHMZBOCLSA-N -1 0 314.338 -0.961 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001606920639 1018894938 /nfs/dbraw/zinc/89/49/38/1018894938.db2.gz ZZECKGPPEBQZMJ-VHSXEESVSA-N -1 0 307.368 -0.193 20 0 DBADRM COCCOCCNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001606904920 1018895001 /nfs/dbraw/zinc/89/50/01/1018895001.db2.gz XMBYOXMZPLFMPD-UHFFFAOYSA-N -1 0 313.310 -0.261 20 0 DBADRM COCCOCCn1nnnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001606907040 1018895050 /nfs/dbraw/zinc/89/50/50/1018895050.db2.gz XZLSPGBSQPCUBS-GHMZBOCLSA-N -1 0 313.358 -0.117 20 0 DBADRM COCCc1noc(CN(C)CCC(=O)N(C)CC(=O)[O-])n1 ZINC001606923984 1018895139 /nfs/dbraw/zinc/89/51/39/1018895139.db2.gz ZIRAKEDOSWZJIH-UHFFFAOYSA-N -1 0 314.342 -0.377 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001606920634 1018895262 /nfs/dbraw/zinc/89/52/62/1018895262.db2.gz ZJQYWNLSKGDVFS-MRVPVSSYSA-N -1 0 311.381 -0.924 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001606920387 1018895349 /nfs/dbraw/zinc/89/53/49/1018895349.db2.gz SYEWYBWSFMNUGB-LURJTMIESA-N -1 0 303.283 -0.728 20 0 DBADRM COCCc1noc(CN2CCC[C@H]2C(=O)NCC(=O)[O-])n1 ZINC001606923334 1018895955 /nfs/dbraw/zinc/89/59/55/1018895955.db2.gz NPQMRMITGLXDIN-VIFPVBQESA-N -1 0 312.326 -0.576 20 0 DBADRM COC[C@@H](C(N)=O)N(C)C(=O)c1ccsc1CC(=O)[O-] ZINC001606937127 1018896700 /nfs/dbraw/zinc/89/67/00/1018896700.db2.gz MRAZIXOLEIHPQV-QMMMGPOBSA-N -1 0 300.336 -0.053 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001606937628 1018896912 /nfs/dbraw/zinc/89/69/12/1018896912.db2.gz BNAWQDUPTBEBSI-DTWKUNHWSA-N -1 0 305.308 -0.252 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001606937625 1018897031 /nfs/dbraw/zinc/89/70/31/1018897031.db2.gz BJYZEHAVHYQHFZ-ZETCQYMHSA-N -1 0 316.335 -0.183 20 0 DBADRM COCCn1cc(CNS(=O)(=O)C[C@H](C)C(=O)[O-])cn1 ZINC001606931672 1018897176 /nfs/dbraw/zinc/89/71/76/1018897176.db2.gz OMYVNIQVDKFAPO-VIFPVBQESA-N -1 0 305.356 -0.330 20 0 DBADRM COCCn1c([C@H](C)O)nnc1N1CCO[C@H](CC(=O)[O-])C1 ZINC001606929105 1018897199 /nfs/dbraw/zinc/89/71/99/1018897199.db2.gz GCFOXNXKMREZEE-VHSXEESVSA-N -1 0 314.342 -0.342 20 0 DBADRM COCCn1nc(C(=O)N(OC)[C@H](C)CC(=O)[O-])ccc1=O ZINC001606932612 1018897464 /nfs/dbraw/zinc/89/74/64/1018897464.db2.gz FICQQIYCGWEDIE-SECBINFHSA-N -1 0 313.310 -0.244 20 0 DBADRM COCCn1cc(C(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)nn1 ZINC001606931643 1018897481 /nfs/dbraw/zinc/89/74/81/1018897481.db2.gz ZHQUTPXZWFWNNE-UHFFFAOYSA-N -1 0 307.266 -0.024 20 0 DBADRM COC[C@@H](O)CNC(=O)C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001606937351 1018897613 /nfs/dbraw/zinc/89/76/13/1018897613.db2.gz SCTZAIXZKUIEIM-ZETCQYMHSA-N -1 0 316.335 -0.183 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001606938069 1018897882 /nfs/dbraw/zinc/89/78/82/1018897882.db2.gz ZVSKIKAGQVSNNN-VHSXEESVSA-N -1 0 307.368 -0.347 20 0 DBADRM COCc1ccccc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001606968953 1018898004 /nfs/dbraw/zinc/89/80/04/1018898004.db2.gz SWQNJJJGRGOTGG-SNVBAGLBSA-N -1 0 310.306 -0.277 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001606939195 1018898712 /nfs/dbraw/zinc/89/87/12/1018898712.db2.gz RCOVPHVAAZREGW-RKDXNWHRSA-N -1 0 316.335 -0.450 20 0 DBADRM COCc1nc(OC)cc(N2CC(n3cc(C(=O)[O-])nn3)C2)n1 ZINC001606978133 1018899856 /nfs/dbraw/zinc/89/98/56/1018899856.db2.gz QNVLSOUZXMDHIL-UHFFFAOYSA-N -1 0 320.309 -0.017 20 0 DBADRM COCc1ncc(CNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)c(N)n1 ZINC001606977706 1018899896 /nfs/dbraw/zinc/89/98/96/1018899896.db2.gz BHLJCEAPKPOEPC-BCMRRPTOSA-N -1 0 324.337 -0.300 20 0 DBADRM COCc1cnc(NC(=O)NCC(=O)NCC(=O)[O-])s1 ZINC001606972226 1018899904 /nfs/dbraw/zinc/89/99/04/1018899904.db2.gz QMJDUMJYSCEDNN-UHFFFAOYSA-N -1 0 302.312 -0.388 20 0 DBADRM CON(C)C[C@@H](O)Cn1cc(NC(=O)C2(C(=O)[O-])CC2)cn1 ZINC001606989729 1018901362 /nfs/dbraw/zinc/90/13/62/1018901362.db2.gz QCMKZFMSUMVJHM-SNVBAGLBSA-N -1 0 312.326 -0.460 20 0 DBADRM CON(C)C(=O)[C@H](C)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001606989486 1018901879 /nfs/dbraw/zinc/90/18/79/1018901879.db2.gz GKTSQSGVZRUEJL-ZETCQYMHSA-N -1 0 317.323 -0.534 20 0 DBADRM COCn1nccc1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001606984308 1018902443 /nfs/dbraw/zinc/90/24/43/1018902443.db2.gz IUQNABUPLAPNMS-IONNQARKSA-N -1 0 305.312 -0.993 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C[C@@H](C)CC(=O)[O-])C[C@H]21 ZINC001606999633 1018904017 /nfs/dbraw/zinc/90/40/17/1018904017.db2.gz ZJTJVPPDUKDKID-YTWAJWBKSA-N -1 0 319.379 -0.242 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001606999121 1018904141 /nfs/dbraw/zinc/90/41/41/1018904141.db2.gz FKAPAEIVOYKWRQ-NXEZZACHSA-N -1 0 307.368 -0.035 20 0 DBADRM CON1CCC(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001606994886 1018904798 /nfs/dbraw/zinc/90/47/98/1018904798.db2.gz WIHBAQUNSRVOPC-GXSJLCMTSA-N -1 0 301.343 -0.511 20 0 DBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001606999326 1018904917 /nfs/dbraw/zinc/90/49/17/1018904917.db2.gz GQKYXOCTIDYCAL-GHMZBOCLSA-N -1 0 316.335 -0.220 20 0 DBADRM O=C(c1cc(-c2nn[nH]n2)cs1)N1CC(N2CC[C@@H](O)C2)C1 ZINC001607002831 1018905126 /nfs/dbraw/zinc/90/51/26/1018905126.db2.gz DABSEQIQBLHVKM-SNVBAGLBSA-N -1 0 320.378 -0.181 20 0 DBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001607000264 1018906264 /nfs/dbraw/zinc/90/62/64/1018906264.db2.gz YFCPHITUTNTQRM-DBIOUOCHSA-N -1 0 307.368 -0.037 20 0 DBADRM COc1c(C(=O)[O-])ncnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001607010817 1018906838 /nfs/dbraw/zinc/90/68/38/1018906838.db2.gz CNNREPSZSDHHEX-SSDOTTSWSA-N -1 0 301.324 -0.193 20 0 DBADRM COc1c2cnn(C)c2ncc1C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001607009810 1018910762 /nfs/dbraw/zinc/91/07/62/1018910762.db2.gz IPQRDBJBJSJEHW-ZETCQYMHSA-N -1 0 308.294 -0.458 20 0 DBADRM COc1c(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)cccc1C(N)=O ZINC001607029107 1018915913 /nfs/dbraw/zinc/91/59/13/1018915913.db2.gz AFOKVUHESDCPHA-AWEZNQCLSA-N -1 0 323.305 -0.153 20 0 DBADRM O=C([N-]N1CC(=O)NC1=O)c1ccc(-c2nn[nH]n2)cc1F ZINC001607047312 1018925882 /nfs/dbraw/zinc/92/58/82/1018925882.db2.gz HZQDHENRNRHMSP-UHFFFAOYSA-N -1 0 305.229 -0.798 20 0 DBADRM O=C1c2ccccc2C(=O)N1CCn1cnc(-c2nnn[n-]2)n1 ZINC001607056237 1018929281 /nfs/dbraw/zinc/92/92/81/1018929281.db2.gz PNEPTANEPDWQNJ-UHFFFAOYSA-N -1 0 310.277 -0.246 20 0 DBADRM O=CNc1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC001607055907 1018932466 /nfs/dbraw/zinc/93/24/66/1018932466.db2.gz GBSGXMOXKFCMFL-UHFFFAOYSA-N -1 0 313.281 -0.335 20 0 DBADRM O=S(=O)(NC[C@H]1CC[C@@H](O)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001607061427 1018935859 /nfs/dbraw/zinc/93/58/59/1018935859.db2.gz GFWSRVNWOQABKH-JGVFFNPUSA-N -1 0 313.339 -0.101 20 0 DBADRM O=S(=O)(NCc1cncc(-c2nn[nH]n2)c1)c1ncc[n-]1 ZINC001607066992 1018940423 /nfs/dbraw/zinc/94/04/23/1018940423.db2.gz OMDCVPHBEILDTF-UHFFFAOYSA-N -1 0 306.311 -0.537 20 0 DBADRM COc1cc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)ncn1 ZINC001607068447 1018942092 /nfs/dbraw/zinc/94/20/92/1018942092.db2.gz WFKOWPMBLOYONL-CYBMUJFWSA-N -1 0 306.278 -0.069 20 0 DBADRM COc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)on1 ZINC001607073170 1018945187 /nfs/dbraw/zinc/94/51/87/1018945187.db2.gz BSCOLJXTQUMCTE-RKDXNWHRSA-N -1 0 323.305 -0.408 20 0 DBADRM COc1cc(C(=O)N2CC(O)(C(=O)[O-])C2)cc2c1OCCO2 ZINC001607068261 1018945519 /nfs/dbraw/zinc/94/55/19/1018945519.db2.gz MAHRNLGUCPDBRG-UHFFFAOYSA-N -1 0 309.274 -0.262 20 0 DBADRM O=S1(=O)CCC[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001607073486 1018946969 /nfs/dbraw/zinc/94/69/69/1018946969.db2.gz MEWCONQPTJPARB-QMMMGPOBSA-N -1 0 309.355 -0.685 20 0 DBADRM O=c1[n-]c(C2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)n[nH]1 ZINC001607090541 1018955797 /nfs/dbraw/zinc/95/57/97/1018955797.db2.gz MOMUFXIJCSVNHE-UHFFFAOYSA-N -1 0 314.313 -0.136 20 0 DBADRM O=c1c(-c2nnn[n-]2)cn(CCO)c(=O)n1CCC1CCC1 ZINC001607092318 1018956970 /nfs/dbraw/zinc/95/69/70/1018956970.db2.gz SMOFEWIYEVTQGM-UHFFFAOYSA-N -1 0 306.326 -0.627 20 0 DBADRM OC[C@@H]1C[C@H](O)CN1c1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001607106813 1018965048 /nfs/dbraw/zinc/96/50/48/1018965048.db2.gz FRQZCLFSRLLDHJ-WHFBIAKZSA-N -1 0 302.747 -0.092 20 0 DBADRM c1cc(NCCc2nnc3n2CCCC3)nc(-c2nnn[n-]2)n1 ZINC001607121297 1018974099 /nfs/dbraw/zinc/97/40/99/1018974099.db2.gz NSCVLHMCLXEPIF-UHFFFAOYSA-N -1 0 312.341 -0.339 20 0 DBADRM c1cc(N[C@H]2CCOC23CCOCC3)nc(-c2nnn[n-]2)n1 ZINC001607119985 1018978094 /nfs/dbraw/zinc/97/80/94/1018978094.db2.gz OYXIXGQXRMBKDF-VIFPVBQESA-N -1 0 303.326 -0.171 20 0 DBADRM COc1cc(CCC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])on1 ZINC001607155656 1018979828 /nfs/dbraw/zinc/97/98/28/1018979828.db2.gz VEUWPHNRLKTJAA-SECBINFHSA-N -1 0 311.294 -0.630 20 0 DBADRM COc1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)nn1 ZINC001607202667 1018979880 /nfs/dbraw/zinc/97/98/80/1018979880.db2.gz YPWHPAYAVXMNKM-UHFFFAOYSA-N -1 0 304.266 -0.528 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)[nH]n1 ZINC001607171356 1018979922 /nfs/dbraw/zinc/97/99/22/1018979922.db2.gz OGOYJTIJJKUMRA-GFCCVEGCSA-N -1 0 312.282 -0.941 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001607169965 1018980057 /nfs/dbraw/zinc/98/00/57/1018980057.db2.gz IVLSBRMXEFFXEK-UHFFFAOYSA-N -1 0 305.283 -0.346 20 0 DBADRM COc1cc(CNC(=O)CN2C(=O)CNC2=O)ccc1C(=O)[O-] ZINC001607160048 1018980303 /nfs/dbraw/zinc/98/03/03/1018980303.db2.gz BFFDEWGXBGSPJE-UHFFFAOYSA-N -1 0 321.289 -0.439 20 0 DBADRM COc1ccc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)cn1 ZINC001607206589 1018980442 /nfs/dbraw/zinc/98/04/42/1018980442.db2.gz JTJKNIGBJMTQQX-UHFFFAOYSA-N -1 0 317.305 -0.158 20 0 DBADRM COc1cc(S(=O)(=O)N(C)CCC(N)=O)ccc1C(=O)[O-] ZINC001607189683 1018980534 /nfs/dbraw/zinc/98/05/34/1018980534.db2.gz UKYAWRZXWSQPHH-UHFFFAOYSA-N -1 0 316.335 -0.111 20 0 DBADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)N2CCNCC2)c1 ZINC001607212098 1018980547 /nfs/dbraw/zinc/98/05/47/1018980547.db2.gz KVYVTUGHJOSMQT-UHFFFAOYSA-N -1 0 300.336 -0.013 20 0 DBADRM COc1cc(CC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])ccn1 ZINC001607154463 1018980745 /nfs/dbraw/zinc/98/07/45/1018980745.db2.gz HLJUFXGYNWPCIL-LLVKDONJSA-N -1 0 321.333 -0.176 20 0 DBADRM COc1ccc(CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])nc1 ZINC001607241688 1018981093 /nfs/dbraw/zinc/98/10/93/1018981093.db2.gz DVEJKHGZADIEBB-LLVKDONJSA-N -1 0 307.306 -0.566 20 0 DBADRM COc1ccc(C(=O)N2CC(O)(C(=O)[O-])C2)cc1OCCO ZINC001607202299 1018981545 /nfs/dbraw/zinc/98/15/45/1018981545.db2.gz BHQIUEGLFSWXAU-UHFFFAOYSA-N -1 0 311.290 -0.662 20 0 DBADRM COc1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1N1CCNC1=O ZINC001607205571 1018981850 /nfs/dbraw/zinc/98/18/50/1018981850.db2.gz LMJAUMVPODKBKR-VIFPVBQESA-N -1 0 323.305 -0.600 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)ncn1 ZINC001607170651 1018982029 /nfs/dbraw/zinc/98/20/29/1018982029.db2.gz GVGMHANAUCBIAZ-YUMQZZPRSA-N -1 0 308.294 -0.255 20 0 DBADRM COc1cccc(C2=NO[C@H](C(=O)N[C@@H](CO)C(=O)[O-])C2)c1 ZINC001607315223 1018984526 /nfs/dbraw/zinc/98/45/26/1018984526.db2.gz BCOVWFWMJGNQBM-RYUDHWBXSA-N -1 0 308.290 -0.250 20 0 DBADRM COc1cccc(-c2nnn(CC(=O)NCCC(=O)[O-])n2)c1 ZINC001607304059 1018984579 /nfs/dbraw/zinc/98/45/79/1018984579.db2.gz KLCBBOUDTCDWFQ-UHFFFAOYSA-N -1 0 305.294 -0.060 20 0 DBADRM COc1ccnc(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)c1 ZINC001607351263 1018986425 /nfs/dbraw/zinc/98/64/25/1018986425.db2.gz ZIAVYFQKZUFKSP-UHFFFAOYSA-N -1 0 312.307 -0.010 20 0 DBADRM COc1cnc(C(=O)OCCc2cn(CC(=O)[O-])nn2)nc1 ZINC001607355052 1018987230 /nfs/dbraw/zinc/98/72/30/1018987230.db2.gz RBKMZJNEKBJFQT-UHFFFAOYSA-N -1 0 307.266 -0.439 20 0 DBADRM COc1cncc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1C ZINC001607353259 1018988540 /nfs/dbraw/zinc/98/85/40/1018988540.db2.gz MRHYYPKOWGRGOW-JTQLQIEISA-N -1 0 307.306 -0.186 20 0 DBADRM COc1cn(CN2CC(n3cc(C(=O)[O-])nn3)C2)c(C)cc1=O ZINC001607352446 1018988562 /nfs/dbraw/zinc/98/85/62/1018988562.db2.gz LNOKDYCDDRPSON-UHFFFAOYSA-N -1 0 319.321 -0.031 20 0 DBADRM COc1nc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])co1 ZINC001607355445 1018988774 /nfs/dbraw/zinc/98/87/74/1018988774.db2.gz NIGWIROTJHMRNC-UHFFFAOYSA-N -1 0 313.310 -0.458 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001607336340 1018988916 /nfs/dbraw/zinc/98/89/16/1018988916.db2.gz GZFZOSQVPAHYPN-KOLCDFICSA-N -1 0 322.317 -0.529 20 0 DBADRM COc1ncc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])cn1 ZINC001607359708 1018990015 /nfs/dbraw/zinc/99/00/15/1018990015.db2.gz LDXPCXRMMVJVMU-SECBINFHSA-N -1 0 311.294 -0.179 20 0 DBADRM COc1nccc(CN2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001607361496 1018990183 /nfs/dbraw/zinc/99/01/83/1018990183.db2.gz XPZNZCJAXZLZMJ-VXGBXAGGSA-N -1 0 320.349 -0.246 20 0 DBADRM COc1ncc(/C=C/C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1 ZINC001607359454 1018990442 /nfs/dbraw/zinc/99/04/42/1018990442.db2.gz FOXFLFKFRBBMRV-WUNPDAOYSA-N -1 0 307.306 -0.208 20 0 DBADRM COc1ncc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])s1 ZINC001607361660 1018990829 /nfs/dbraw/zinc/99/08/29/1018990829.db2.gz ZELXSKHDLHFCAD-HTRCEHHLSA-N -1 0 322.364 -0.250 20 0 DBADRM COc1ncccc1NC(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001607361777 1018991413 /nfs/dbraw/zinc/99/14/13/1018991413.db2.gz QMLSLBWEDNEBAZ-AWEZNQCLSA-N -1 0 323.305 -0.269 20 0 DBADRM COc1nsc(CN2CCO[C@@H](CC(N)=O)C2)c1C(=O)[O-] ZINC001607364438 1018991945 /nfs/dbraw/zinc/99/19/45/1018991945.db2.gz XCPDQYKVQKBCTF-ZETCQYMHSA-N -1 0 315.351 -0.074 20 0 DBADRM CS(=O)(=O)C1(C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])CC1 ZINC001607365815 1018992096 /nfs/dbraw/zinc/99/20/96/1018992096.db2.gz VPFGXJPZSOXNKM-QMMMGPOBSA-N -1 0 318.376 -0.168 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)NCC2(C(=O)[O-])CC2)C1 ZINC001607369482 1018992779 /nfs/dbraw/zinc/99/27/79/1018992779.db2.gz FEHHCJGOTPMORY-VIFPVBQESA-N -1 0 304.368 -0.073 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001607367403 1018992790 /nfs/dbraw/zinc/99/27/90/1018992790.db2.gz UCRSUCIOKHBPFK-NSHDSACASA-N -1 0 315.347 -0.551 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCN(Cc2cn(CC(=O)[O-])nn2)C1 ZINC001607368900 1018993056 /nfs/dbraw/zinc/99/30/56/1018993056.db2.gz FLNRMLXSAKZBLK-JTQLQIEISA-N -1 0 316.383 -0.381 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001502105575 1018993265 /nfs/dbraw/zinc/99/32/65/1018993265.db2.gz UJDRHCUHKPHCRG-GXSJLCMTSA-N -1 0 324.385 -0.494 20 0 DBADRM CS(=O)(=O)CCCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001607369674 1018994082 /nfs/dbraw/zinc/99/40/82/1018994082.db2.gz MSLZHZAZJCVXIT-UHFFFAOYSA-N -1 0 316.339 -0.816 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])CC1 ZINC001607366753 1018994299 /nfs/dbraw/zinc/99/42/99/1018994299.db2.gz MTUOZKMPROLZFZ-KOLCDFICSA-N -1 0 319.379 -0.362 20 0 DBADRM CS(=O)(=O)Cc1noc(CN2C[C@@H](F)C[C@H]2C(=O)[O-])n1 ZINC001607371131 1018995828 /nfs/dbraw/zinc/99/58/28/1018995828.db2.gz ZTQJXTJKBNGYOF-BQBZGAKWSA-N -1 0 307.303 -0.389 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)CCSCC(=O)[O-])C1 ZINC001607373136 1018995837 /nfs/dbraw/zinc/99/58/37/1018995837.db2.gz LMOAZPYZTSWQJS-QMMMGPOBSA-N -1 0 310.397 -0.656 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ocnc1C(=O)[O-] ZINC001607371662 1018996231 /nfs/dbraw/zinc/99/62/31/1018996231.db2.gz AZUKAEFJKHOKSN-ZETCQYMHSA-N -1 0 317.323 -0.587 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)NOCCCC(=O)[O-])C1 ZINC001607372111 1018997104 /nfs/dbraw/zinc/99/71/04/1018997104.db2.gz RLIYXCWAAXAWJD-VIFPVBQESA-N -1 0 308.356 -0.429 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)OCCCC(=O)C(=O)[O-])CC1 ZINC001607371419 1018997310 /nfs/dbraw/zinc/99/73/10/1018997310.db2.gz RQHIDEBAIFQETI-UHFFFAOYSA-N -1 0 321.351 -0.365 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001607374871 1018997515 /nfs/dbraw/zinc/99/75/15/1018997515.db2.gz KYIJZDALKPUOJE-UHFFFAOYSA-N -1 0 312.347 -0.313 20 0 DBADRM CS(=O)(=O)Nc1cccc(C(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001607376720 1018998227 /nfs/dbraw/zinc/99/82/27/1018998227.db2.gz XEGVGPWNXGJTLS-SNVBAGLBSA-N -1 0 316.335 -0.377 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@@]1(F)CCOC1)C(=O)[O-] ZINC001607377733 1018998285 /nfs/dbraw/zinc/99/82/85/1018998285.db2.gz QOXJGLXAWTZFLF-WHGOUJPWSA-N -1 0 309.315 -0.881 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)COC(F)F)C(=O)[O-] ZINC001607377681 1018998596 /nfs/dbraw/zinc/99/85/96/1018998596.db2.gz PPSGAZCIIAZINN-SSDLBLMSSA-N -1 0 301.267 -0.770 20 0 DBADRM C[S@@](=O)C1(CN2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)CCC1 ZINC001607384179 1018998774 /nfs/dbraw/zinc/99/87/74/1018998774.db2.gz CGBJWBIKDBAVAA-MAEVUDFCSA-N -1 0 314.363 -0.071 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@H](NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001607375701 1018998846 /nfs/dbraw/zinc/99/88/46/1018998846.db2.gz BMDXSPWSFORRPV-GUBZILKMSA-N -1 0 320.367 -0.553 20 0 DBADRM CS(=O)(=O)c1nnc(CN2CCO[C@H](C(=O)[O-])C2)s1 ZINC001607383189 1018998916 /nfs/dbraw/zinc/99/89/16/1018998916.db2.gz NRXQNOFVBNGEPI-LURJTMIESA-N -1 0 307.353 -0.773 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001607385112 1019000725 /nfs/dbraw/zinc/00/07/25/1019000725.db2.gz NOCZWONXOICGBC-UOPHCQPZSA-N -1 0 304.368 -0.759 20 0 DBADRM CS[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001607392441 1019000958 /nfs/dbraw/zinc/00/09/58/1019000958.db2.gz XEVMJLDFYRUUGR-HTQZYQBOSA-N -1 0 302.352 -0.955 20 0 DBADRM CS(=O)(=O)c1nnc(COC(=O)COCC(=O)[O-])s1 ZINC001607385693 1019001026 /nfs/dbraw/zinc/00/10/26/1019001026.db2.gz UYMOPFXJYADRTB-UHFFFAOYSA-N -1 0 310.309 -0.914 20 0 DBADRM CSC[C@@H](CCO)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001607395298 1019001214 /nfs/dbraw/zinc/00/12/14/1019001214.db2.gz UNXFJZNSELZESG-SECBINFHSA-N -1 0 314.363 -0.223 20 0 DBADRM CSCCCNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001607396348 1019002113 /nfs/dbraw/zinc/00/21/13/1019002113.db2.gz AQESEXYXXZFJOA-UHFFFAOYSA-N -1 0 300.340 -0.074 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ncccc1S(C)(=O)=O)C(=O)[O-] ZINC001607425610 1019006796 /nfs/dbraw/zinc/00/67/96/1019006796.db2.gz RPTFSBBRNWAXHZ-SVRRBLITSA-N -1 0 302.308 -0.951 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001607418546 1019003815 /nfs/dbraw/zinc/00/38/15/1019003815.db2.gz COQUDNFRBRIFNY-RTHLEPHNSA-N -1 0 321.337 -0.818 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC001607423918 1019004486 /nfs/dbraw/zinc/00/44/86/1019004486.db2.gz IXSFUWWOLZGNFT-BREBYQMCSA-N -1 0 306.318 -0.010 20 0 DBADRM C[C@@H](C(=O)OCC(=O)NCC(=O)[O-])N(C)C(=O)OC(C)(C)C ZINC001607417254 1019005011 /nfs/dbraw/zinc/00/50/11/1019005011.db2.gz MIOVPBCNUMBOET-QMMMGPOBSA-N -1 0 318.326 -0.014 20 0 DBADRM C[C@@H](CO)NC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001607418810 1019005156 /nfs/dbraw/zinc/00/51/56/1019005156.db2.gz KZYBHNYMIXFMIP-VIFPVBQESA-N -1 0 309.322 -0.068 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)/C=C\c1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC001607423845 1019005450 /nfs/dbraw/zinc/00/54/50/1019005450.db2.gz GNUCVKHFQHNFGM-ZZPZPLPASA-N -1 0 320.301 -0.019 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@]12C[C@H]1COC2 ZINC001607419090 1019005659 /nfs/dbraw/zinc/00/56/59/1019005659.db2.gz PMHJRGMGQAGEPC-FZNYLWTLSA-N -1 0 306.322 -0.450 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001607423772 1019005675 /nfs/dbraw/zinc/00/56/75/1019005675.db2.gz DMKILCVIKCNMGK-SFYZADRCSA-N -1 0 302.327 -0.006 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccc(CN2CCOCC2)o1)C(=O)[O-] ZINC001607424740 1019007355 /nfs/dbraw/zinc/00/73/55/1019007355.db2.gz JJWGVPVATYEVFZ-SKDRFNHKSA-N -1 0 312.322 -0.324 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CCO)C[C@H]1CC(=O)[O-] ZINC001607428030 1019007597 /nfs/dbraw/zinc/00/75/97/1019007597.db2.gz GERBYDNVPVROHX-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cccn(CC(F)(F)F)c1=O)C(=O)[O-] ZINC001607425294 1019007654 /nfs/dbraw/zinc/00/76/54/1019007654.db2.gz FISRCRSETWCUMY-SVRRBLITSA-N -1 0 322.239 -0.026 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CCO)C2)C[C@H]1C(=O)[O-] ZINC001607428040 1019007724 /nfs/dbraw/zinc/00/77/24/1019007724.db2.gz GOPUOFBBUFBSEO-IJLUTSLNSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CCO)C[C@@H](C(=O)[O-])O1 ZINC001607428651 1019007943 /nfs/dbraw/zinc/00/79/43/1019007943.db2.gz NWBWHCMZOCBZBG-MXWKQRLJSA-N -1 0 314.338 -0.940 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(CC3(C)COC3)nn2)C[C@@H](C(=O)[O-])O1 ZINC001607436215 1019009526 /nfs/dbraw/zinc/00/95/26/1019009526.db2.gz HRBSPWZLHRBYDQ-KOLCDFICSA-N -1 0 324.337 -0.371 20 0 DBADRM C[C@@H]1CN(C(=O)C[C@@H]2C=CS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001607430698 1019010709 /nfs/dbraw/zinc/01/07/09/1019010709.db2.gz SNPSIDUADMVISI-UTLUCORTSA-N -1 0 303.336 -0.365 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnc(Cl)n2C)C[C@@H](C(=O)[O-])O1 ZINC001607439099 1019011456 /nfs/dbraw/zinc/01/14/56/1019011456.db2.gz CPVCOHFQXJNPGF-RQJHMYQMSA-N -1 0 323.758 -0.064 20 0 DBADRM C[C@@H]1CN(c2nnc([C@H]3CNC(=O)C3)n2C)C[C@H]1CC(=O)[O-] ZINC001607440617 1019011546 /nfs/dbraw/zinc/01/15/46/1019011546.db2.gz IKAQRYUWUZYLFH-OPRDCNLKSA-N -1 0 307.354 -0.034 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC[C@H]2CCCS(=O)(=O)C2)O[C@H]1C(=O)[O-] ZINC001607442899 1019012950 /nfs/dbraw/zinc/01/29/50/1019012950.db2.gz PQSQKJOZJYNFJM-GWOFURMSSA-N -1 0 319.379 -0.194 20 0 DBADRM C[C@@H]1CN(c2nnc(CS(C)(=O)=O)n2C)C[C@H]1CC(=O)[O-] ZINC001607440345 1019013165 /nfs/dbraw/zinc/01/31/65/1019013165.db2.gz DNUHFKOMPZLFMJ-RKDXNWHRSA-N -1 0 316.383 -0.093 20 0 DBADRM C[C@@H]1CN(c2nnnn2[C@@H]2CCN(C)C2=O)C[C@H]1CC(=O)[O-] ZINC001607441459 1019013428 /nfs/dbraw/zinc/01/34/28/1019013428.db2.gz UCBZVQVSTAFMMU-OPRDCNLKSA-N -1 0 308.342 -0.377 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O ZINC001607446190 1019013566 /nfs/dbraw/zinc/01/35/66/1019013566.db2.gz GYZUCOFSGZGSHT-WKJUBOCMSA-N -1 0 306.322 -0.504 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cc2n[nH]nc2cc1F)C(=O)[O-] ZINC001607458891 1019014434 /nfs/dbraw/zinc/01/44/34/1019014434.db2.gz RJTMLYJZPWUWEQ-WDSKDSINSA-N -1 0 323.284 -0.195 20 0 DBADRM C[C@H](NC(=O)[C@H](C)N1C(=O)[C@@H]2CSCCN2C1=O)C(=O)[O-] ZINC001607456457 1019015243 /nfs/dbraw/zinc/01/52/43/1019015243.db2.gz IFDXMWRVGFESKU-FXQIFTODSA-N -1 0 315.351 -0.656 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H]1COC[C@@H]1C1CC1)C(=O)[O-] ZINC001607458011 1019015405 /nfs/dbraw/zinc/01/54/05/1019015405.db2.gz BRDJDKALKHDWRX-HLFFCZDVSA-N -1 0 313.354 -0.312 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@@](O)(C2CC2)C1)C(=O)[O-] ZINC001607458227 1019015439 /nfs/dbraw/zinc/01/54/39/1019015439.db2.gz IECFPGJLXAQIKL-FZNYLWTLSA-N -1 0 313.354 -0.479 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@]1(F)CCOC1 ZINC001607454192 1019015557 /nfs/dbraw/zinc/01/55/57/1019015557.db2.gz VKVBUAWJKYSKQZ-AMIZOPFISA-N -1 0 312.301 -0.358 20 0 DBADRM C[C@H](NC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1)C(=O)[O-] ZINC001607460457 1019017221 /nfs/dbraw/zinc/01/72/21/1019017221.db2.gz GZLRRIRXHUZAOA-KWQFWETISA-N -1 0 312.297 -0.565 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)Cc2ccc(C(=O)[O-])nc2)CC1 ZINC001607462023 1019018363 /nfs/dbraw/zinc/01/83/63/1019018363.db2.gz KTDYRRKDQSHLIU-NSHDSACASA-N -1 0 307.350 -0.153 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@@H](O)[C@H](F)C1)C(=O)[O-] ZINC001607459301 1019018598 /nfs/dbraw/zinc/01/85/98/1019018598.db2.gz YKMKWBGOLPSDGP-RBXMUDONSA-N -1 0 305.306 -0.922 20 0 DBADRM C[C@H]1C(=O)NCCCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001607463239 1019018675 /nfs/dbraw/zinc/01/86/75/1019018675.db2.gz QMEDRDJYRWSPKO-LURJTMIESA-N -1 0 303.296 -0.728 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2cnn(C)c2)C[C@]1(C)C(=O)[O-] ZINC001607466330 1019018779 /nfs/dbraw/zinc/01/87/79/1019018779.db2.gz FHSXXXRHFGGLOD-BONVTDFDSA-N -1 0 322.365 -0.052 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001607460275 1019018889 /nfs/dbraw/zinc/01/88/89/1019018889.db2.gz FZRZZMWCGUOAIK-WDEREUQCSA-N -1 0 323.349 -0.127 20 0 DBADRM C[C@H]1CN(C(=O)N[C@H]2CCS(=O)(=O)C2)C[C@]1(C)C(=O)[O-] ZINC001607470733 1019019841 /nfs/dbraw/zinc/01/98/41/1019019841.db2.gz NTLKXIBRGONUKQ-AUTRQRHGSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCSC2)C[C@@H](C(=O)[O-])O1 ZINC001607467900 1019020175 /nfs/dbraw/zinc/02/01/75/1019020175.db2.gz OTZXJCBWQGJGMA-GUBZILKMSA-N -1 0 316.379 -0.444 20 0 DBADRM C[C@H]1CN(C(=O)N[C@H]2CCc3nnn(C)c3C2)C[C@@H](C(=O)[O-])O1 ZINC001607470729 1019020311 /nfs/dbraw/zinc/02/03/11/1019020311.db2.gz NRFSPOWCYDNNHW-AUTRQRHGSA-N -1 0 323.353 -0.444 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)C[C@@H](C(=O)[O-])O1 ZINC001607467581 1019020715 /nfs/dbraw/zinc/02/07/15/1019020715.db2.gz AZLFSGKXVAZFSN-HGCLJGPKSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001607468596 1019020999 /nfs/dbraw/zinc/02/09/99/1019020999.db2.gz GRKJYGWAFUHZQI-DCAQKATOSA-N -1 0 319.379 -0.098 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001607484077 1019021927 /nfs/dbraw/zinc/02/19/27/1019021927.db2.gz SNBSBNRVPBROCR-SCZZXKLOSA-N -1 0 311.294 -0.825 20 0 DBADRM Cc1[nH]c(C(=O)[C@H](C)N2C[C@H](O)C[C@H]2C(N)=O)c(C)c1C(=O)[O-] ZINC001607488181 1019022020 /nfs/dbraw/zinc/02/20/20/1019022020.db2.gz XHSCZURLKXXVQA-AEJSXWLSSA-N -1 0 323.349 -0.179 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(CCO)CCNc1ccnc(C(=O)[O-])n1 ZINC001607479912 1019022337 /nfs/dbraw/zinc/02/23/37/1019022337.db2.gz MAHHRWUTWMIPGN-UWVGGRQHSA-N -1 0 308.338 -0.515 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1O ZINC001607480355 1019023060 /nfs/dbraw/zinc/02/30/60/1019023060.db2.gz GYZUCOFSGZGSHT-CPOMMVLXSA-N -1 0 306.322 -0.504 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607483881 1019023188 /nfs/dbraw/zinc/02/31/88/1019023188.db2.gz ODIKMRAFHZGDGJ-HTQZYQBOSA-N -1 0 308.294 -0.915 20 0 DBADRM C[C@H]1CN(c2nnc([C@H]3CNC(=O)C3)n2C)C[C@]1(C)C(=O)[O-] ZINC001607481514 1019023315 /nfs/dbraw/zinc/02/33/15/1019023315.db2.gz ZKWIKPOYNANKEA-QIBSRJKCSA-N -1 0 307.354 -0.034 20 0 DBADRM C[C@H]1CN(c2nnc([C@@]3(O)CCOC3)n2C)CC[C@H]1C(=O)[O-] ZINC001607480201 1019023653 /nfs/dbraw/zinc/02/36/53/1019023653.db2.gz CBYQBZUJCDTYNY-IMSIIYSGSA-N -1 0 310.354 -0.030 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001607483641 1019023768 /nfs/dbraw/zinc/02/37/68/1019023768.db2.gz CBQFFHQSPRWEKK-RCOVLWMOSA-N -1 0 311.294 -0.561 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001607483787 1019024159 /nfs/dbraw/zinc/02/41/59/1019024159.db2.gz JMJGPXDFXKZSOS-CYBMUJFWSA-N -1 0 311.294 -0.654 20 0 DBADRM C[C@H]1CN(C[C@H]2[C@H](C(=O)[O-])C2(F)F)CCN1S(C)(=O)=O ZINC001607475966 1019024419 /nfs/dbraw/zinc/02/44/19/1019024419.db2.gz AZXHNPSIXYQZBK-XHNCKOQMSA-N -1 0 312.338 -0.082 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNCc2nnc3n2CCNC3=O)n1C ZINC001607517191 1019025449 /nfs/dbraw/zinc/02/54/49/1019025449.db2.gz RGYMEUSVPFDPGL-UHFFFAOYSA-N -1 0 318.337 -0.344 20 0 DBADRM Cc1c(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cnn1C ZINC001607508866 1019026446 /nfs/dbraw/zinc/02/64/46/1019026446.db2.gz ZBUFKJAEYAMALD-MNOVXSKESA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)N2CCO[C@H](C(N)=O)C2)n1C ZINC001607513661 1019027187 /nfs/dbraw/zinc/02/71/87/1019027187.db2.gz DWHYVNTWXRNEPD-NSHDSACASA-N -1 0 324.337 -0.573 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)cccc1N(C)C ZINC001607535137 1019027894 /nfs/dbraw/zinc/02/78/94/1019027894.db2.gz LGRTYORZNVAEAM-UHFFFAOYSA-N -1 0 321.333 -0.343 20 0 DBADRM Cc1c(NC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)nnn1C ZINC001607541857 1019028633 /nfs/dbraw/zinc/02/86/33/1019028633.db2.gz ADIXADHRSVTYOV-LBPRGKRZSA-N -1 0 308.298 -0.039 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cnn1C ZINC001607528041 1019028737 /nfs/dbraw/zinc/02/87/37/1019028737.db2.gz UUVGTQAVODOLPQ-LDYMZIIASA-N -1 0 308.338 -0.476 20 0 DBADRM Cc1c(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)cnn1CC(=O)[O-] ZINC001607539836 1019029130 /nfs/dbraw/zinc/02/91/30/1019029130.db2.gz HGLVJRLRPMLTRS-MRVPVSSYSA-N -1 0 320.309 -0.226 20 0 DBADRM Cc1c(C(=O)[O-])csc1NC(=O)C(=O)N1C[C@H](O)[C@@H](O)C1 ZINC001607519778 1019029547 /nfs/dbraw/zinc/02/95/47/1019029547.db2.gz XLTVBHWXXRGOEP-YUMQZZPRSA-N -1 0 314.319 -0.743 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cnn1C ZINC001607527894 1019029773 /nfs/dbraw/zinc/02/97/73/1019029773.db2.gz LEZMUCVSNSHFFP-CQSZACIVSA-N -1 0 308.338 -0.332 20 0 DBADRM Cc1c[nH]nc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607556592 1019030110 /nfs/dbraw/zinc/03/01/10/1019030110.db2.gz QRGVSXQXSLNDHA-JXUBOQSCSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)on1 ZINC001607569483 1019030631 /nfs/dbraw/zinc/03/06/31/1019030631.db2.gz IQTYJCKUBFABPO-DTWKUNHWSA-N -1 0 323.305 -0.993 20 0 DBADRM Cc1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n(C)n1 ZINC001607570056 1019030676 /nfs/dbraw/zinc/03/06/76/1019030676.db2.gz XKONHARLNALDRW-MNOVXSKESA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)ncn1 ZINC001607579500 1019030998 /nfs/dbraw/zinc/03/09/98/1019030998.db2.gz ZUQYIBXQYIOJBL-QWRGUYRKSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1c[nH]nc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607556597 1019031015 /nfs/dbraw/zinc/03/10/15/1019031015.db2.gz QRGVSXQXSLNDHA-XKNYDFJKSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1cc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)cnn1 ZINC001607578700 1019031298 /nfs/dbraw/zinc/03/12/98/1019031298.db2.gz CVYYYUSDJSOMRG-UHFFFAOYSA-N -1 0 302.294 -0.463 20 0 DBADRM Cc1cc(=O)[nH]c(N2CCN(C(=O)COCC(=O)[O-])CC2)n1 ZINC001607560530 1019031428 /nfs/dbraw/zinc/03/14/28/1019031428.db2.gz KTLOLWWTOHQSTF-UHFFFAOYSA-N -1 0 310.310 -0.760 20 0 DBADRM Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)on1 ZINC001607569485 1019031578 /nfs/dbraw/zinc/03/15/78/1019031578.db2.gz IQTYJCKUBFABPO-IUCAKERBSA-N -1 0 323.305 -0.993 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])n1 ZINC001607630171 1019033764 /nfs/dbraw/zinc/03/37/64/1019033764.db2.gz VAUVUGSYIYDCIH-NSHDSACASA-N -1 0 308.338 -0.308 20 0 DBADRM Cc1cc(CN2CCN(CN3C[C@H](C(=O)[O-])CC3=O)CC2)no1 ZINC001607640897 1019034783 /nfs/dbraw/zinc/03/47/83/1019034783.db2.gz DMEKCGYGIWWRJY-GFCCVEGCSA-N -1 0 322.365 -0.009 20 0 DBADRM Cc1cc(C)cc(C(=O)NCC(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001607623716 1019034926 /nfs/dbraw/zinc/03/49/26/1019034926.db2.gz PCKNOPREGUQJMX-GFCCVEGCSA-N -1 0 308.334 -0.015 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)NCCn1ccc(=O)[nH]c1=O ZINC001607603027 1019035274 /nfs/dbraw/zinc/03/52/74/1019035274.db2.gz PAQWYSXIWIVYEK-UHFFFAOYSA-N -1 0 307.262 -0.021 20 0 DBADRM Cc1cc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])nn1C ZINC001607641498 1019035322 /nfs/dbraw/zinc/03/53/22/1019035322.db2.gz IEJZCGPZBFEIAQ-QWRGUYRKSA-N -1 0 321.337 -0.692 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2CCC(C(=O)NCCO)CC2)n1 ZINC001607599625 1019035449 /nfs/dbraw/zinc/03/54/49/1019035449.db2.gz FVCNTYIDFLHZMN-UHFFFAOYSA-N -1 0 308.338 -0.192 20 0 DBADRM Cc1cc(CNC(=O)CNS(=O)(=O)N(C)C)oc1C(=O)[O-] ZINC001607643046 1019035551 /nfs/dbraw/zinc/03/55/51/1019035551.db2.gz GLKWGBPXUWFFFF-UHFFFAOYSA-N -1 0 319.339 -0.702 20 0 DBADRM Cc1cc(=O)[nH]c(CNC2(C(=O)[O-])CCS(=O)(=O)CC2)n1 ZINC001607698695 1019036116 /nfs/dbraw/zinc/03/61/16/1019036116.db2.gz FEWDXMWREBVTGQ-UHFFFAOYSA-N -1 0 315.351 -0.388 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cn(C)c1=O ZINC001607670054 1019036180 /nfs/dbraw/zinc/03/61/80/1019036180.db2.gz BYSFRUAFLUWNMT-SNVBAGLBSA-N -1 0 307.306 -0.292 20 0 DBADRM Cc1cc(NC(=O)c2cn(C)c(=O)n(C)c2=O)ncc1C(=O)[O-] ZINC001607693998 1019036535 /nfs/dbraw/zinc/03/65/35/1019036535.db2.gz XNVQEXZUUVZOSJ-UHFFFAOYSA-N -1 0 318.289 -0.262 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H](C)C[S@](C)=O)c(C(=O)[O-])[nH]1 ZINC001607670752 1019036672 /nfs/dbraw/zinc/03/66/72/1019036672.db2.gz ONIPBZCSFMDEAV-SGWXMTNESA-N -1 0 315.351 -0.157 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H](C)C(=O)N(C)C)c(C(=O)[O-])[nH]1 ZINC001607673685 1019037506 /nfs/dbraw/zinc/03/75/06/1019037506.db2.gz JIPMADPBUWSFSJ-SSDOTTSWSA-N -1 0 310.310 -0.447 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)no1 ZINC001607654037 1019038271 /nfs/dbraw/zinc/03/82/71/1019038271.db2.gz YCRYOXHWBLFFNT-NSHDSACASA-N -1 0 318.351 -0.030 20 0 DBADRM Cc1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)ccc1C(=O)[O-] ZINC001607707658 1019038897 /nfs/dbraw/zinc/03/88/97/1019038897.db2.gz OOVBFHMNMNFMTB-JTQLQIEISA-N -1 0 314.363 -0.040 20 0 DBADRM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001607736420 1019039703 /nfs/dbraw/zinc/03/97/03/1019039703.db2.gz ZUMZPVIOVQBHMZ-ZETCQYMHSA-N -1 0 307.262 -0.065 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NC1(C(N)=O)CC1 ZINC001607738986 1019039724 /nfs/dbraw/zinc/03/97/24/1019039724.db2.gz ZKEPNEVFLRJTRB-UHFFFAOYSA-N -1 0 305.290 -0.234 20 0 DBADRM Cc1cc2c(cc1C)O[C@@H](C(=O)NCC(=O)NCC(=O)[O-])C2 ZINC001607711786 1019041003 /nfs/dbraw/zinc/04/10/03/1019041003.db2.gz KLCVOCNDIPVKGG-GFCCVEGCSA-N -1 0 306.318 -0.076 20 0 DBADRM Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001607727699 1019041132 /nfs/dbraw/zinc/04/11/32/1019041132.db2.gz MMYSRCGXRDVQBY-UWVGGRQHSA-N -1 0 322.317 -0.388 20 0 DBADRM Cc1ccc([C@@H](O)CNC(=O)NCCn2cc(C(=O)[O-])nn2)o1 ZINC001607759686 1019041419 /nfs/dbraw/zinc/04/14/19/1019041419.db2.gz DBUJCCOGNDVVIA-JTQLQIEISA-N -1 0 323.309 -0.089 20 0 DBADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001607822351 1019042627 /nfs/dbraw/zinc/04/26/27/1019042627.db2.gz URCZWXJIJYVUGU-LBPRGKRZSA-N -1 0 316.335 -0.792 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCC[N@@H+](C)C2CC2)c1C(=O)[O-] ZINC001607938245 1019052398 /nfs/dbraw/zinc/05/23/98/1019052398.db2.gz OAUHICOKNYCHPW-UHFFFAOYSA-N -1 0 302.356 -0.211 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)c(C(=O)[O-])c1 ZINC001607796153 1019043041 /nfs/dbraw/zinc/04/30/41/1019043041.db2.gz PKWMOHQDIULDCL-AOOOYVTPSA-N -1 0 322.317 -0.414 20 0 DBADRM Cc1cccc2c(=O)n(CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cnc12 ZINC001607866203 1019043121 /nfs/dbraw/zinc/04/31/21/1019043121.db2.gz MCSGWBZEHKMWMD-RNCFNFMXSA-N -1 0 319.317 -0.345 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(=O)n1C ZINC001607781191 1019043220 /nfs/dbraw/zinc/04/32/20/1019043220.db2.gz KVDCSBOTBWWHHW-XYPYZODXSA-N -1 0 321.333 -0.711 20 0 DBADRM Cc1cccc(CN(C)C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)c1C ZINC001607851205 1019043283 /nfs/dbraw/zinc/04/32/83/1019043283.db2.gz KXIOFPZFVMMYJE-UHFFFAOYSA-N -1 0 320.345 -0.080 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NCC(=O)N(C)C)c(C(=O)[O-])c1 ZINC001607797308 1019043595 /nfs/dbraw/zinc/04/35/95/1019043595.db2.gz MQAGSJSRJBETOP-UHFFFAOYSA-N -1 0 307.306 -0.164 20 0 DBADRM Cc1cccc2c(=O)n(CC(=O)N[C@](C)(CO)C(=O)[O-])cnc12 ZINC001607866518 1019043651 /nfs/dbraw/zinc/04/36/51/1019043651.db2.gz UZDQGEOYPOSNQW-OAHLLOKOSA-N -1 0 319.317 -0.343 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1 ZINC001607781824 1019043816 /nfs/dbraw/zinc/04/38/16/1019043816.db2.gz XXLIJFNGUFEEST-VXGBXAGGSA-N -1 0 321.333 -0.700 20 0 DBADRM Cc1ccnc(NCCN(CCO)C(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001607895253 1019044387 /nfs/dbraw/zinc/04/43/87/1019044387.db2.gz PABWPEKJDHKQPD-QWRGUYRKSA-N -1 0 308.338 -0.261 20 0 DBADRM Cc1ccn(CC(=O)NCCC(=O)NCCC(=O)[O-])c(=O)c1 ZINC001607892445 1019044454 /nfs/dbraw/zinc/04/44/54/1019044454.db2.gz ZHBHVVFLRLEYDT-UHFFFAOYSA-N -1 0 309.322 -0.746 20 0 DBADRM Cc1cn2nnc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)c2c(=O)[nH]1 ZINC001607903584 1019044728 /nfs/dbraw/zinc/04/47/28/1019044728.db2.gz YCRDMWJUQMVWPO-QMMMGPOBSA-N -1 0 321.293 -0.546 20 0 DBADRM Cc1ccn2ncc(C(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)c2n1 ZINC001607892483 1019045129 /nfs/dbraw/zinc/04/51/29/1019045129.db2.gz BERMKYLJOCCPHI-NXEZZACHSA-N -1 0 304.306 -0.055 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607898894 1019045402 /nfs/dbraw/zinc/04/54/02/1019045402.db2.gz HRPQRJDNIPHISD-DDHJBXDOSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1ccnc2nc(C(=O)OCC(=O)NCCC(=O)[O-])nn21 ZINC001607896928 1019045550 /nfs/dbraw/zinc/04/55/50/1019045550.db2.gz QZSTVAHOMPDUPM-UHFFFAOYSA-N -1 0 307.266 -0.820 20 0 DBADRM Cc1ccnc(NCCN(CCO)C(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001607895255 1019045590 /nfs/dbraw/zinc/04/55/90/1019045590.db2.gz PABWPEKJDHKQPD-WDEREUQCSA-N -1 0 308.338 -0.261 20 0 DBADRM Cc1cn2ccnc(C(=O)N[C@@H](CC3OCCO3)C(=O)[O-])c2n1 ZINC001607903476 1019046355 /nfs/dbraw/zinc/04/63/55/1019046355.db2.gz VVKJFDFVEMGRQX-VIFPVBQESA-N -1 0 320.305 -0.016 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607898901 1019046437 /nfs/dbraw/zinc/04/64/37/1019046437.db2.gz HRPQRJDNIPHISD-WRWGMCAJSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1ccn(CC(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001607892317 1019046527 /nfs/dbraw/zinc/04/65/27/1019046527.db2.gz VPKDZMGWFUMGNC-WDEREUQCSA-N -1 0 320.349 -0.323 20 0 DBADRM Cc1nnc([C@@H]2CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C2)[nH]1 ZINC001607952587 1019054908 /nfs/dbraw/zinc/05/49/08/1019054908.db2.gz VHIHLWIPYFHXAJ-VXNVDRBHSA-N -1 0 302.356 -0.047 20 0 DBADRM Cc1cnc(C(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cn1 ZINC001607905439 1019047597 /nfs/dbraw/zinc/04/75/97/1019047597.db2.gz NUGAIBVVBFMBHP-VHSXEESVSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1cnc2c(C(=O)N3CC(=O)N(C)C[C@H]3C(=O)[O-])cnn2c1 ZINC001607910401 1019047844 /nfs/dbraw/zinc/04/78/44/1019047844.db2.gz OTCLOYKUZLOKQK-JTQLQIEISA-N -1 0 317.305 -0.595 20 0 DBADRM Cc1cnc2c(C(=O)N3CCN(CC(=O)[O-])CC3)cnn2c1 ZINC001607908976 1019048011 /nfs/dbraw/zinc/04/80/11/1019048011.db2.gz CMHBLFUZQDKTMW-UHFFFAOYSA-N -1 0 303.322 -0.120 20 0 DBADRM Cc1cncn1CC(=O)NCCCNc1ccnc(C(=O)[O-])n1 ZINC001607914098 1019049164 /nfs/dbraw/zinc/04/91/64/1019049164.db2.gz HAKKLWSYKINGSP-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1cnn(CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)c1 ZINC001607916849 1019049559 /nfs/dbraw/zinc/04/95/59/1019049559.db2.gz ZNPMKKWMQDLODD-VXGBXAGGSA-N -1 0 320.349 -0.417 20 0 DBADRM Cc1cnc(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001607905872 1019050039 /nfs/dbraw/zinc/05/00/39/1019050039.db2.gz VQBFYHOAYXBMCA-QWRGUYRKSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1cnc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)nc1 ZINC001607906959 1019050060 /nfs/dbraw/zinc/05/00/60/1019050060.db2.gz SCFDICLTJIRYPP-JTQLQIEISA-N -1 0 306.322 -0.276 20 0 DBADRM Cc1cnoc1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607918164 1019050645 /nfs/dbraw/zinc/05/06/45/1019050645.db2.gz KFIDDQZLFRLBNW-VHSXEESVSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCN2CCCC2=O)c1C(=O)[O-] ZINC001607938760 1019051302 /nfs/dbraw/zinc/05/13/02/1019051302.db2.gz XKCHUHBYLSXVCH-UHFFFAOYSA-N -1 0 316.339 -0.683 20 0 DBADRM Cc1csc(NC(=O)C(=O)N2CCNC(=O)C2)c1C(=O)[O-] ZINC001607931304 1019051482 /nfs/dbraw/zinc/05/14/82/1019051482.db2.gz ZBNPLGBZDXNVPJ-UHFFFAOYSA-N -1 0 311.319 -0.348 20 0 DBADRM Cc1nnc(CC(=O)NCCCNc2ncc(C(=O)[O-])cn2)[nH]1 ZINC001607937555 1019051712 /nfs/dbraw/zinc/05/17/12/1019051712.db2.gz ZMCNEECQGRFNTK-UHFFFAOYSA-N -1 0 319.325 -0.238 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001607938804 1019052025 /nfs/dbraw/zinc/05/20/25/1019052025.db2.gz APUHNTYTLUICHW-LLVKDONJSA-N -1 0 324.337 -0.982 20 0 DBADRM Cc1csc(=O)n1CCC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001607921837 1019052266 /nfs/dbraw/zinc/05/22/66/1019052266.db2.gz LUQVZJVBABDFNU-GFCCVEGCSA-N -1 0 300.336 -0.344 20 0 DBADRM Cc1nc(Cn2nnc(C(=O)N(C)[C@H](C)C(=O)[O-])c2C)no1 ZINC001607960251 1019053436 /nfs/dbraw/zinc/05/34/36/1019053436.db2.gz GKKGGUGDXDGSTG-SSDOTTSWSA-N -1 0 308.298 -0.129 20 0 DBADRM Cc1nc(C)c(CC(=O)NC2(C(=O)[O-])CC(CO)C2)c(=O)[nH]1 ZINC001607948430 1019053589 /nfs/dbraw/zinc/05/35/89/1019053589.db2.gz ZPURQMQWYOHTLA-UHFFFAOYSA-N -1 0 309.322 -0.317 20 0 DBADRM Cc1nc(C)c(CC(=O)NCCC(=O)NCCC(=O)[O-])c(=O)[nH]1 ZINC001607948007 1019054190 /nfs/dbraw/zinc/05/41/90/1019054190.db2.gz UIJYAQQSKCEHKJ-UHFFFAOYSA-N -1 0 324.337 -0.561 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001607941028 1019055560 /nfs/dbraw/zinc/05/55/60/1019055560.db2.gz NGPUOYQLRIUXSM-ZCFIWIBFSA-N -1 0 305.298 -0.746 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H](C)Cn2cncn2)c1C(=O)[O-] ZINC001607941119 1019056124 /nfs/dbraw/zinc/05/61/24/1019056124.db2.gz YGNCFGHRPRWRKV-ZCFIWIBFSA-N -1 0 314.327 -0.625 20 0 DBADRM Cc1nc2c(cnn2C)c(NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001607966336 1019056849 /nfs/dbraw/zinc/05/68/49/1019056849.db2.gz VEFCWGLONJOWRW-IUCAKERBSA-N -1 0 318.337 -0.079 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])s1 ZINC001607982640 1019056999 /nfs/dbraw/zinc/05/69/99/1019056999.db2.gz FJOWSIGULFMUDI-VXNVDRBHSA-N -1 0 313.335 -0.173 20 0 DBADRM Cc1nc(NC(=O)[C@H]2CCS(=O)(=O)N2)sc1C(=O)[O-] ZINC001607963031 1019057159 /nfs/dbraw/zinc/05/71/59/1019057159.db2.gz ZWOJKIWMUPETAS-RXMQYKEDSA-N -1 0 305.337 -0.220 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)cn1 ZINC001607982436 1019058831 /nfs/dbraw/zinc/05/88/31/1019058831.db2.gz DKKWBBUKTDPPHV-CYBMUJFWSA-N -1 0 308.294 -0.526 20 0 DBADRM Cc1nc2c(nccc2C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])[nH]1 ZINC001607968465 1019058896 /nfs/dbraw/zinc/05/88/96/1019058896.db2.gz JDLLLAJJBYUOLP-SECBINFHSA-N -1 0 317.305 -0.366 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001607996588 1019060286 /nfs/dbraw/zinc/06/02/86/1019060286.db2.gz XPKOTAHDJIFXSO-NSHDSACASA-N -1 0 317.305 -0.104 20 0 DBADRM Cc1ncncc1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001607991390 1019060903 /nfs/dbraw/zinc/06/09/03/1019060903.db2.gz YUSBIMDZROVKDK-SECBINFHSA-N -1 0 313.335 -0.501 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001607996287 1019060918 /nfs/dbraw/zinc/06/09/18/1019060918.db2.gz OZMOBTJMYICIAI-JTQLQIEISA-N -1 0 305.294 -0.464 20 0 DBADRM Cc1nccc(C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001607987984 1019061122 /nfs/dbraw/zinc/06/11/22/1019061122.db2.gz VSGBQFDEESOHLD-WDEREUQCSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1nccn1CC(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001607990830 1019061935 /nfs/dbraw/zinc/06/19/35/1019061935.db2.gz OSRVRRIYCKEXOT-UHFFFAOYSA-N -1 0 304.310 -0.670 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CCn3cnnc3C2)cc1C(=O)[O-] ZINC001607986745 1019062261 /nfs/dbraw/zinc/06/22/61/1019062261.db2.gz HLOQONPBRDFPCH-UHFFFAOYSA-N -1 0 323.334 -0.116 20 0 DBADRM Cc1nn2cccnc2c1S(=O)(=O)N[C@H](CF)C(=O)[O-] ZINC001608010238 1019063215 /nfs/dbraw/zinc/06/32/15/1019063215.db2.gz XFGTZZOXDUFMIR-SSDOTTSWSA-N -1 0 302.287 -0.261 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001607999711 1019064286 /nfs/dbraw/zinc/06/42/86/1019064286.db2.gz FMSHDAWFZYQOEA-IUCAKERBSA-N -1 0 310.354 -0.327 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CC[C@](O)(C(=O)[O-])C1 ZINC001608000276 1019065059 /nfs/dbraw/zinc/06/50/59/1019065059.db2.gz WCUGKCWERZVESF-IINYFYTJSA-N -1 0 310.354 -0.115 20 0 DBADRM Cc1nn2cccnc2c1S(=O)(=O)N[C@@H](CF)C(=O)[O-] ZINC001608010240 1019065171 /nfs/dbraw/zinc/06/51/71/1019065171.db2.gz XFGTZZOXDUFMIR-ZETCQYMHSA-N -1 0 302.287 -0.261 20 0 DBADRM Cc1noc([C@@H](C)NC(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001608020758 1019066367 /nfs/dbraw/zinc/06/63/67/1019066367.db2.gz AUNZITINDPQJKD-ZCFIWIBFSA-N -1 0 309.286 -0.272 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)n1 ZINC001608026037 1019067001 /nfs/dbraw/zinc/06/70/01/1019067001.db2.gz LQHAWFJYHCKGSW-CBAPKCEASA-N -1 0 310.310 -0.342 20 0 DBADRM Cc1noc(C2CN(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])C2)n1 ZINC001608025439 1019067833 /nfs/dbraw/zinc/06/78/33/1019067833.db2.gz HJRWNELYJWLWLF-PSASIEDQSA-N -1 0 310.310 -0.023 20 0 DBADRM Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N2CC(O)(C(=O)[O-])C2)n1 ZINC001608027523 1019068655 /nfs/dbraw/zinc/06/86/55/1019068655.db2.gz WSKRNQRUZMIMMF-JGVFFNPUSA-N -1 0 312.282 -0.951 20 0 DBADRM Cc1nonc1C(=O)NC[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001608031331 1019068915 /nfs/dbraw/zinc/06/89/15/1019068915.db2.gz OHOZHCUTARZNQF-ZETCQYMHSA-N -1 0 320.309 -0.234 20 0 DBADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@H](CF)C(=O)[O-] ZINC001608043393 1019069030 /nfs/dbraw/zinc/06/90/30/1019069030.db2.gz QETZCJZTXQJBBG-ZCFIWIBFSA-N -1 0 308.287 -0.304 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N2CCC[C@@H]2CO)cc1C(=O)[O-] ZINC001608050686 1019069620 /nfs/dbraw/zinc/06/96/20/1019069620.db2.gz OFNBMPLSZFZKLB-SECBINFHSA-N -1 0 310.306 -0.114 20 0 DBADRM Cc1oc(C(=O)N[C@@H](C)/C=C\C(=O)[O-])cc1S(N)(=O)=O ZINC001608032223 1019070051 /nfs/dbraw/zinc/07/00/51/1019070051.db2.gz RUXSPIFVOHCXPS-SYDCGGLASA-N -1 0 302.308 -0.005 20 0 DBADRM Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001608031886 1019070583 /nfs/dbraw/zinc/07/05/83/1019070583.db2.gz UOZAEUVEKBQLDY-ZDUSSCGKSA-N -1 0 308.294 -0.051 20 0 DBADRM Cn1nc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1Br ZINC001608139127 1019090495 /nfs/dbraw/zinc/09/04/95/1019090495.db2.gz AWUFWTGYVBMQFM-JTQLQIEISA-N -1 0 318.127 -0.156 20 0 DBADRM Cc1sc(NC(=O)C(=O)NCCC(N)=O)c(C(=O)[O-])c1C ZINC001608071096 1019071499 /nfs/dbraw/zinc/07/14/99/1019071499.db2.gz HVLMLSAKPFHBKP-UHFFFAOYSA-N -1 0 313.335 -0.007 20 0 DBADRM Cn1c2ccccc2n(CC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1=O ZINC001608077966 1019071922 /nfs/dbraw/zinc/07/19/22/1019071922.db2.gz PSUWHYSCVPDQHG-SKDRFNHKSA-N -1 0 319.317 -0.614 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NCc2cc(C(=O)[O-])co2)c1=O ZINC001608077865 1019072081 /nfs/dbraw/zinc/07/20/81/1019072081.db2.gz MVITTWUZOLHUSN-UHFFFAOYSA-N -1 0 307.262 -0.845 20 0 DBADRM Cc1occc1CN(C)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001608055401 1019072100 /nfs/dbraw/zinc/07/21/00/1019072100.db2.gz FESBSKBANRSLSW-NWDGAFQWSA-N -1 0 324.333 -0.160 20 0 DBADRM Cc1sc(S(N)(=O)=O)cc1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001608073982 1019072238 /nfs/dbraw/zinc/07/22/38/1019072238.db2.gz FEZCGTJICWJYDL-VHWMUFPASA-N -1 0 322.364 -0.732 20 0 DBADRM Cc1occc(=O)c1OCC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001608055835 1019072299 /nfs/dbraw/zinc/07/22/99/1019072299.db2.gz PDYKFWUKNJBVTK-SKDRFNHKSA-N -1 0 311.290 -0.236 20 0 DBADRM Cc1sc(S(N)(=O)=O)cc1C(=O)N[C@](C)(CO)C(=O)[O-] ZINC001608074599 1019072548 /nfs/dbraw/zinc/07/25/48/1019072548.db2.gz RQBUJMGRCLCJAF-SNVBAGLBSA-N -1 0 322.364 -0.731 20 0 DBADRM Cn1c(=O)ccn(CC(=O)O[C@@H](C(=O)[O-])c2ccsc2)c1=O ZINC001608077640 1019073632 /nfs/dbraw/zinc/07/36/32/1019073632.db2.gz FEMUCGGIVSKJIV-LLVKDONJSA-N -1 0 324.314 -0.022 20 0 DBADRM Cn1c([C@H]2CCS(=O)(=O)N2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001608087510 1019074355 /nfs/dbraw/zinc/07/43/55/1019074355.db2.gz NQVNANHCJABXCI-HTQZYQBOSA-N -1 0 315.355 -0.910 20 0 DBADRM Cn1c2ccccc2n(CCC(=O)NC[C@@H](O)CC(=O)[O-])c1=O ZINC001608078152 1019074621 /nfs/dbraw/zinc/07/46/21/1019074621.db2.gz VYIMEUOMDQJEIA-JTQLQIEISA-N -1 0 321.333 -0.318 20 0 DBADRM Cn1c(N2CC[C@](F)(C(=O)[O-])C2)nnc1C1(O)CCOCC1 ZINC001608090954 1019074638 /nfs/dbraw/zinc/07/46/38/1019074638.db2.gz OAEWVHZVNBEZSB-GFCCVEGCSA-N -1 0 314.317 -0.184 20 0 DBADRM Cn1c(CO)nn(CN2CCO[C@@H](CC(=O)[O-])C2)c1=S ZINC001608090220 1019074977 /nfs/dbraw/zinc/07/49/77/1019074977.db2.gz QWEIZUFUTJOIAC-QMMMGPOBSA-N -1 0 302.356 -0.424 20 0 DBADRM Cn1c(C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)c[nH]c1=O ZINC001608081781 1019076234 /nfs/dbraw/zinc/07/62/34/1019076234.db2.gz PDDBOAFZJCGOEE-SFYZADRCSA-N -1 0 322.321 -0.775 20 0 DBADRM Cn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1[C@]1(C)CCC(=O)NC1 ZINC001608091520 1019076563 /nfs/dbraw/zinc/07/65/63/1019076563.db2.gz NXLDZFWZVPDYKX-LKFCYVNXSA-N -1 0 323.353 -0.727 20 0 DBADRM Cn1cc(C(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)c(=O)[nH]c1=O ZINC001608095910 1019076951 /nfs/dbraw/zinc/07/69/51/1019076951.db2.gz AJOIWAVPHRVINC-JTQLQIEISA-N -1 0 319.273 -0.253 20 0 DBADRM Cn1cc(-c2nn(C)cc2C(=O)NC[C@](C)(O)C(=O)[O-])cn1 ZINC001608095021 1019077036 /nfs/dbraw/zinc/07/70/36/1019077036.db2.gz TUKGNNNYXZEPKV-ZDUSSCGKSA-N -1 0 307.310 -0.614 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001608098639 1019077601 /nfs/dbraw/zinc/07/76/01/1019077601.db2.gz CANBBYDSWLLQCE-APPZFPTMSA-N -1 0 310.310 -0.130 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)NCCOCC(=O)[O-])c2=O ZINC001608098772 1019078083 /nfs/dbraw/zinc/07/80/83/1019078083.db2.gz OUXRTLRTNZTPJF-UHFFFAOYSA-N -1 0 308.294 -0.897 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)NCCCN2C(=O)CCC2=O)n1 ZINC001608103274 1019079225 /nfs/dbraw/zinc/07/92/25/1019079225.db2.gz QIGCGPZICPXFSW-UHFFFAOYSA-N -1 0 323.309 -0.221 20 0 DBADRM Cn1cc(N2CC[C@H](NS(=O)(=O)CCCC(=O)[O-])C2)cn1 ZINC001608117803 1019081445 /nfs/dbraw/zinc/08/14/45/1019081445.db2.gz UMTLRAOREYHBAF-JTQLQIEISA-N -1 0 316.383 -0.217 20 0 DBADRM Cn1cc(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001608112128 1019081853 /nfs/dbraw/zinc/08/18/53/1019081853.db2.gz UNHWGXURXGKIJR-DTWKUNHWSA-N -1 0 309.322 -0.007 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)NC3CC(C(=O)[O-])C3)CC2=O)cn1 ZINC001608117724 1019082227 /nfs/dbraw/zinc/08/22/27/1019082227.db2.gz RNBAIERUPGDSDC-KYHHOPLUSA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1C(=O)[O-] ZINC001608116245 1019082294 /nfs/dbraw/zinc/08/22/94/1019082294.db2.gz PAJNECJQIKEMJW-TWXYISROSA-N -1 0 319.317 -0.046 20 0 DBADRM Cn1cc(CN2CCC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001608112771 1019082434 /nfs/dbraw/zinc/08/24/34/1019082434.db2.gz PVESDPXEWHEDNI-QWHCGFSZSA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)cc1C(=O)[O-] ZINC001608116197 1019082467 /nfs/dbraw/zinc/08/24/67/1019082467.db2.gz MZHRTYRSROWERK-ZETCQYMHSA-N -1 0 323.227 -0.299 20 0 DBADRM Cn1cc(CNC(=O)Cc2ccc(C(=O)[O-])nc2)c(=O)[nH]c1=O ZINC001608111733 1019082574 /nfs/dbraw/zinc/08/25/74/1019082574.db2.gz MGIQTJRXWBHXJV-UHFFFAOYSA-N -1 0 318.289 -0.562 20 0 DBADRM Cn1cc(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001608112130 1019082865 /nfs/dbraw/zinc/08/28/65/1019082865.db2.gz UNHWGXURXGKIJR-IUCAKERBSA-N -1 0 309.322 -0.007 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)C2)cn1 ZINC001608116787 1019083119 /nfs/dbraw/zinc/08/31/19/1019083119.db2.gz BNZPQMQDPRGMDF-JLLWLGSASA-N -1 0 308.338 -0.253 20 0 DBADRM Cn1cc(CNC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)nn1 ZINC001608111431 1019083413 /nfs/dbraw/zinc/08/34/13/1019083413.db2.gz CKYSUQKMCFKZDW-LBPRGKRZSA-N -1 0 308.298 -0.670 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC2=O)cn1 ZINC001608116469 1019083690 /nfs/dbraw/zinc/08/36/90/1019083690.db2.gz GDQONOCFXXVLDD-AOOOYVTPSA-N -1 0 306.322 -0.294 20 0 DBADRM Cn1cc(CNS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])nn1 ZINC001608114357 1019083711 /nfs/dbraw/zinc/08/37/11/1019083711.db2.gz NMXBPZOXMXXVBX-UWVGGRQHSA-N -1 0 302.356 -0.122 20 0 DBADRM Cn1ccc(CN2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cc1=O ZINC001608125019 1019084479 /nfs/dbraw/zinc/08/44/79/1019084479.db2.gz VOSPCQVBMVWRDJ-CHWSQXEVSA-N -1 0 319.361 -0.250 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@@H](O)[C@@H]2CCCO2)cc1C(=O)[O-] ZINC001608121711 1019084963 /nfs/dbraw/zinc/08/49/63/1019084963.db2.gz ZBABWCXCKUDTGO-MNOVXSKESA-N -1 0 318.351 -0.459 20 0 DBADRM Cn1ccc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001608126091 1019085292 /nfs/dbraw/zinc/08/52/92/1019085292.db2.gz COIDIDMRWLKRNI-BJDJZHNGSA-N -1 0 320.349 -0.553 20 0 DBADRM Cn1cnc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)c1 ZINC001608134263 1019087026 /nfs/dbraw/zinc/08/70/26/1019087026.db2.gz PDLXMTYHTAKXPC-RKDXNWHRSA-N -1 0 306.322 -0.481 20 0 DBADRM Cn1cnc(/C=C\C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1 ZINC001608134921 1019087076 /nfs/dbraw/zinc/08/70/76/1019087076.db2.gz YQGMMPFYGFVSLD-DOGVGXBMSA-N -1 0 306.322 -0.375 20 0 DBADRM Cn1cnc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[C@@H]4C(=O)[O-])C[C@H]32)c1 ZINC001608133269 1019087926 /nfs/dbraw/zinc/08/79/26/1019087926.db2.gz BRAZHHZZFDUISL-OFKSJOQMSA-N -1 0 318.333 -0.673 20 0 DBADRM Cn1cccc1C(=O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001608130425 1019088157 /nfs/dbraw/zinc/08/81/57/1019088157.db2.gz SAVOXUMAEQEBPW-SNVBAGLBSA-N -1 0 314.363 -0.219 20 0 DBADRM Cn1cnc(C(=O)NCC2(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)c1 ZINC001608134262 1019088198 /nfs/dbraw/zinc/08/81/98/1019088198.db2.gz PDLXMTYHTAKXPC-IUCAKERBSA-N -1 0 306.322 -0.481 20 0 DBADRM Cn1ccnc1COCC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001608132815 1019088491 /nfs/dbraw/zinc/08/84/91/1019088491.db2.gz MSZPKPJCFCJVCK-UHFFFAOYSA-N -1 0 308.298 -0.957 20 0 DBADRM Cn1ccnc1[C@@H]1CNCCN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001608132526 1019088580 /nfs/dbraw/zinc/08/85/80/1019088580.db2.gz DRGTZPUMYRKTFY-NSHDSACASA-N -1 0 318.337 -0.512 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1 ZINC001608135351 1019089377 /nfs/dbraw/zinc/08/93/77/1019089377.db2.gz AYNQHTZLSMBUNK-BONVTDFDSA-N -1 0 320.349 -0.250 20 0 DBADRM Cn1cncc1CC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001608136280 1019089875 /nfs/dbraw/zinc/08/98/75/1019089875.db2.gz IXZIOJJCLVCYRS-VXGBXAGGSA-N -1 0 320.349 -0.742 20 0 DBADRM Cn1cnn(CCC(=O)N[C@@H](CC(=O)[O-])c2ccncc2)c1=O ZINC001608137581 1019090035 /nfs/dbraw/zinc/09/00/35/1019090035.db2.gz PSTDOVJAPDJZBR-NSHDSACASA-N -1 0 319.321 -0.301 20 0 DBADRM Cn1cnn(CC(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)c1=O ZINC001608137634 1019090328 /nfs/dbraw/zinc/09/03/28/1019090328.db2.gz RMMAGLLAJLBZBD-UHFFFAOYSA-N -1 0 316.277 -0.205 20 0 DBADRM Cn1cncc1[C@@H](CO)NC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001608136879 1019090462 /nfs/dbraw/zinc/09/04/62/1019090462.db2.gz XUXMCBWSWCPPRA-LLVKDONJSA-N -1 0 321.337 -0.055 20 0 DBADRM Cn1cnn(CCC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c1=O ZINC001608137639 1019090678 /nfs/dbraw/zinc/09/06/78/1019090678.db2.gz RNRDCHPPXYKXND-LLVKDONJSA-N -1 0 319.321 -0.821 20 0 DBADRM Cn1cncc1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCC1 ZINC001608136500 1019090985 /nfs/dbraw/zinc/09/09/85/1019090985.db2.gz PCJNCHBCUJKWIX-NXEZZACHSA-N -1 0 320.349 -0.091 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)NC[C@H](CO)[C@@H]1CCOC1 ZINC001608143618 1019092202 /nfs/dbraw/zinc/09/22/02/1019092202.db2.gz HXTGEJOHFXGSBB-RKDXNWHRSA-N -1 0 312.326 -0.115 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)N1CCCS(=O)(=O)CC1 ZINC001608142858 1019092264 /nfs/dbraw/zinc/09/22/64/1019092264.db2.gz AOFVXLLDOGOPTF-UHFFFAOYSA-N -1 0 316.339 -0.229 20 0 DBADRM Cn1nc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)ccc1=O ZINC001608140571 1019092463 /nfs/dbraw/zinc/09/24/63/1019092463.db2.gz UZBBLVLDSBGBRL-CYBMUJFWSA-N -1 0 306.278 -0.774 20 0 DBADRM Cn1cnnc1CN1CCC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608139816 1019092510 /nfs/dbraw/zinc/09/25/10/1019092510.db2.gz VJAQGGGYPYOPEH-WDEREUQCSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1cnnc1C1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC001608139959 1019092560 /nfs/dbraw/zinc/09/25/60/1019092560.db2.gz ZTCVUPZPCWGSHO-UHFFFAOYSA-N -1 0 319.325 -0.489 20 0 DBADRM Cn1cnnc1S(=O)(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001608139583 1019092590 /nfs/dbraw/zinc/09/25/90/1019092590.db2.gz KHTAKAUTWVLYPM-UHFFFAOYSA-N -1 0 318.355 -0.635 20 0 DBADRM Cn1cnnc1CN1CCC2(CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)C1 ZINC001608139437 1019092954 /nfs/dbraw/zinc/09/29/54/1019092954.db2.gz SJDKCSWIMVZRKV-QWRGUYRKSA-N -1 0 319.365 -0.430 20 0 DBADRM Cn1nc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])cc1C1CC1 ZINC001608142535 1019093016 /nfs/dbraw/zinc/09/30/16/1019093016.db2.gz RWLAFASBAOMODB-SNVBAGLBSA-N -1 0 304.310 -0.228 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1N ZINC001608156198 1019094098 /nfs/dbraw/zinc/09/40/98/1019094098.db2.gz XCHRVKXXSLGPOT-XSPKLOCKSA-N -1 0 321.337 -0.900 20 0 DBADRM Cn1ncc(C(F)(F)F)c1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC001608156986 1019094657 /nfs/dbraw/zinc/09/46/57/1019094657.db2.gz FNXFFGJUWGPHGW-YFKPBYRVSA-N -1 0 317.245 -0.837 20 0 DBADRM Cn1nc2c(c1NC(=O)C(=O)NCCOCC(=O)[O-])CCC2 ZINC001608151117 1019095432 /nfs/dbraw/zinc/09/54/32/1019095432.db2.gz BJRQIQACRWKBNV-UHFFFAOYSA-N -1 0 310.310 -0.935 20 0 DBADRM Cn1ncc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001608155280 1019096001 /nfs/dbraw/zinc/09/60/01/1019096001.db2.gz HDPUVJAPBLHPIS-RGOKHQFPSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1nccc1[C@@H](O)CNS(=O)(=O)c1occc1C(=O)[O-] ZINC001608164088 1019096507 /nfs/dbraw/zinc/09/65/07/1019096507.db2.gz BYKMPONODJJWRI-VIFPVBQESA-N -1 0 315.307 -0.277 20 0 DBADRM Cn1nccc1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001608161989 1019098051 /nfs/dbraw/zinc/09/80/51/1019098051.db2.gz AYWBWKHKIJVNPT-VHSXEESVSA-N -1 0 306.322 -0.671 20 0 DBADRM Cn1nccc1[C@@H]1CN([C@@H]2CCN(CCC(=O)[O-])C2=O)CCO1 ZINC001608164880 1019098120 /nfs/dbraw/zinc/09/81/20/1019098120.db2.gz AUDLFCFAAYFXSW-OLZOCXBDSA-N -1 0 322.365 -0.131 20 0 DBADRM Cn1nncc1C(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001608168307 1019099588 /nfs/dbraw/zinc/09/95/88/1019099588.db2.gz QFTSKEVEHAMYNJ-UHFFFAOYSA-N -1 0 317.309 -0.734 20 0 DBADRM Cn1nnc2c1CC[C@@H](NS(=O)(=O)CCCC(=O)[O-])C2 ZINC001608167443 1019101029 /nfs/dbraw/zinc/10/10/29/1019101029.db2.gz DJDPCYOHXQVPOA-MRVPVSSYSA-N -1 0 302.356 -0.543 20 0 DBADRM Cn1nnc2c1nccc2C(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001608168176 1019101838 /nfs/dbraw/zinc/10/18/38/1019101838.db2.gz USABUBVKCAGJOS-CYBMUJFWSA-N -1 0 305.294 -0.416 20 0 DBADRM Cn1nncc1CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001608167860 1019102022 /nfs/dbraw/zinc/10/20/22/1019102022.db2.gz KYNGVTAFEQZYLD-UHFFFAOYSA-N -1 0 303.325 -0.552 20 0 DBADRM Cn1nnnc1CN1CC=C(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608170218 1019104463 /nfs/dbraw/zinc/10/44/63/1019104463.db2.gz VTIXRYJUZDYLIC-QWRGUYRKSA-N -1 0 320.353 -0.821 20 0 DBADRM Cn1nncc1C(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001608168705 1019104854 /nfs/dbraw/zinc/10/48/54/1019104854.db2.gz YEFZVWQIEQFJGI-MRVPVSSYSA-N -1 0 317.309 -0.688 20 0 DBADRM Cn1nnnc1CCCNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001608169179 1019105234 /nfs/dbraw/zinc/10/52/34/1019105234.db2.gz LIRNYJUNTHVXRN-UHFFFAOYSA-N -1 0 317.371 -0.683 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)CC1 ZINC001608228952 1019114868 /nfs/dbraw/zinc/11/48/68/1019114868.db2.gz BJAPAPJLRCZYCV-OWOJBTEDSA-N -1 0 308.290 -0.170 20 0 DBADRM NC(=O)C(=O)N[C@H]1CC[C@H](CNc2ncc(C(=O)[O-])cn2)CC1 ZINC001608227617 1019115275 /nfs/dbraw/zinc/11/52/75/1019115275.db2.gz XAVKXAGAVHMBBV-CZMCAQCFSA-N -1 0 321.337 -0.253 20 0 DBADRM NC(=O)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ncc(C(=O)[O-])cn1 ZINC001608227283 1019115943 /nfs/dbraw/zinc/11/59/43/1019115943.db2.gz MJKAWLJFPGNKHA-UWVGGRQHSA-N -1 0 319.321 -0.770 20 0 DBADRM NC(=O)C1CCN(C(=O)CN2CC(F)(F)C[C@H]2C(=O)[O-])CC1 ZINC001608230938 1019117826 /nfs/dbraw/zinc/11/78/26/1019117826.db2.gz IMHXPTUTPSRMRS-VIFPVBQESA-N -1 0 319.308 -0.496 20 0 DBADRM NC(=O)[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)CCO1 ZINC001608229689 1019118198 /nfs/dbraw/zinc/11/81/98/1019118198.db2.gz OQBPMPLVJJTUBW-SECBINFHSA-N -1 0 320.367 -0.853 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)C[C@H]1C(N)=O ZINC001608230776 1019118483 /nfs/dbraw/zinc/11/84/83/1019118483.db2.gz ZPMLYSSPNIPPGU-QRPANZHUSA-N -1 0 323.349 -0.933 20 0 DBADRM NC(=O)CC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)C1 ZINC001608230662 1019118851 /nfs/dbraw/zinc/11/88/51/1019118851.db2.gz YKDXXACHOYQHLO-NXEZZACHSA-N -1 0 323.349 -0.967 20 0 DBADRM NC(=O)[C@H]1CN(CN2Cc3ccc(C(=O)[O-])cc3C2=O)CCO1 ZINC001608229940 1019119123 /nfs/dbraw/zinc/11/91/23/1019119123.db2.gz QKSQKVVPMIXXDA-GFCCVEGCSA-N -1 0 319.317 -0.516 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2F)C[C@@H]1C(N)=O ZINC001608229685 1019119880 /nfs/dbraw/zinc/11/98/80/1019119880.db2.gz OPWLTOOWOJTBPW-IUCAKERBSA-N -1 0 323.280 -0.817 20 0 DBADRM NC(=O)C[C@@H]1COCCN1C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001608232385 1019121718 /nfs/dbraw/zinc/12/17/18/1019121718.db2.gz RBMVKFYIEXSXPJ-SNVBAGLBSA-N -1 0 307.306 -0.575 20 0 DBADRM NC(=O)CCCC(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001608231599 1019122762 /nfs/dbraw/zinc/12/27/62/1019122762.db2.gz HBGPIGFEWIRWDJ-SNVBAGLBSA-N -1 0 321.337 -0.157 20 0 DBADRM NC(=O)N1CCC[C@H](CNS(=O)(=O)CCCC(=O)[O-])C1 ZINC001608236781 1019126298 /nfs/dbraw/zinc/12/62/98/1019126298.db2.gz HHYXZYMJHKAJQC-SECBINFHSA-N -1 0 307.372 -0.439 20 0 DBADRM NC(=O)N[C@H](CC(=O)N1CC[C@@](O)(C(=O)[O-])C1)c1ccccc1 ZINC001608237652 1019126419 /nfs/dbraw/zinc/12/64/19/1019126419.db2.gz CAELSQADTRUGTL-ABAIWWIYSA-N -1 0 321.333 -0.166 20 0 DBADRM NC(=O)N[C@H](CC(=O)NCC[C@H](O)C(=O)[O-])c1cccs1 ZINC001608238052 1019126883 /nfs/dbraw/zinc/12/68/83/1019126883.db2.gz KFIHOFIZCNUNRU-SFYZADRCSA-N -1 0 315.351 -0.201 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])O1 ZINC001608239352 1019129697 /nfs/dbraw/zinc/12/96/97/1019129697.db2.gz CMIZGDQCWSMOMQ-FYLLDIAZSA-N -1 0 314.338 -0.764 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cn1 ZINC001608242597 1019130091 /nfs/dbraw/zinc/13/00/91/1019130091.db2.gz HGBKNDBQYCGHNJ-ZDUSSCGKSA-N -1 0 321.333 -0.593 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCC(O)(C(=O)[O-])CC2)O1 ZINC001608240656 1019130132 /nfs/dbraw/zinc/13/01/32/1019130132.db2.gz RRTIZEJBYMJCSX-ZJUUUORDSA-N -1 0 314.338 -0.762 20 0 DBADRM NC(=O)NC1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)CC1 ZINC001608238467 1019130661 /nfs/dbraw/zinc/13/06/61/1019130661.db2.gz SHSHRSAFJLJUCZ-UHFFFAOYSA-N -1 0 322.321 -0.794 20 0 DBADRM NC(=O)[C@H]1C[C@H](NS(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC001608240848 1019130701 /nfs/dbraw/zinc/13/07/01/1019130701.db2.gz MHIUWJGJQYFXFG-URHBZAFASA-N -1 0 305.337 -0.617 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1 ZINC001608240938 1019130738 /nfs/dbraw/zinc/13/07/38/1019130738.db2.gz OHPXNTRQTTUORP-RUMNANIHSA-N -1 0 311.338 -0.617 20 0 DBADRM NC(=O)c1cc(N2C[C@@H](O)C[C@H](C(=O)[O-])C2)nc(Cl)n1 ZINC001608241423 1019131160 /nfs/dbraw/zinc/13/11/60/1019131160.db2.gz LREOOIBVYUBRIO-WDSKDSINSA-N -1 0 300.702 -0.499 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001608244748 1019132401 /nfs/dbraw/zinc/13/24/01/1019132401.db2.gz BYZCSBSHNCGLGE-VIFPVBQESA-N -1 0 317.305 -0.189 20 0 DBADRM NC(=O)c1cn(C2CN(C(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)C2)nn1 ZINC001608246888 1019132585 /nfs/dbraw/zinc/13/25/85/1019132585.db2.gz IKKZQCIIQCXCEP-IUCAKERBSA-N -1 0 321.337 -0.349 20 0 DBADRM NC(=O)c1ccc(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001608244494 1019132855 /nfs/dbraw/zinc/13/28/55/1019132855.db2.gz FYBGYBOOVPBOBM-CBAPKCEASA-N -1 0 308.294 -0.520 20 0 DBADRM NC(=O)c1ccc(CC(=O)Nc2ccc(C(=O)[O-])nn2)cn1 ZINC001608243143 1019133163 /nfs/dbraw/zinc/13/31/63/1019133163.db2.gz QPRNUDWDAOAVRI-UHFFFAOYSA-N -1 0 301.262 -0.150 20 0 DBADRM NC(=O)c1csc(NC(=O)N[C@]2(CC(=O)[O-])CCOC2)n1 ZINC001608246113 1019133468 /nfs/dbraw/zinc/13/34/68/1019133468.db2.gz VJAWCABJTWUHCL-NSHDSACASA-N -1 0 314.323 -0.003 20 0 DBADRM NC(=O)c1ncc(NC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])s1 ZINC001608244792 1019133638 /nfs/dbraw/zinc/13/36/38/1019133638.db2.gz FKYVVOFVXJZZQH-UJURSFKZSA-N -1 0 300.296 -0.394 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cc1 ZINC001608244472 1019133959 /nfs/dbraw/zinc/13/39/59/1019133959.db2.gz DRVCJPZVDGIQIF-AAEUAGOBSA-N -1 0 322.317 -0.399 20 0 DBADRM NC(=O)c1csc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC001608245231 1019134135 /nfs/dbraw/zinc/13/41/35/1019134135.db2.gz IWZBODOLEWCLEY-QMMMGPOBSA-N -1 0 308.319 -0.004 20 0 DBADRM NC(=O)c1cccc(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001608246252 1019134295 /nfs/dbraw/zinc/13/42/95/1019134295.db2.gz NXHXPICXJAQIGR-NWDGAFQWSA-N -1 0 321.333 -0.238 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001608259797 1019139941 /nfs/dbraw/zinc/13/99/41/1019139941.db2.gz TVNRWQLZCRJFDD-NSHDSACASA-N -1 0 310.347 -0.140 20 0 DBADRM NS(=O)(=O)C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001608260111 1019140043 /nfs/dbraw/zinc/14/00/43/1019140043.db2.gz CQZAZBRTDJPZII-IONNQARKSA-N -1 0 315.351 -0.100 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001608258502 1019141027 /nfs/dbraw/zinc/14/10/27/1019141027.db2.gz KAVCKCBHNBYMEN-SECBINFHSA-N -1 0 313.335 -0.327 20 0 DBADRM NS(=O)(=O)Cc1ccc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1 ZINC001608260342 1019141607 /nfs/dbraw/zinc/14/16/07/1019141607.db2.gz LHDZSPXWPPRYNY-GDNZZTSVSA-N -1 0 324.358 -0.122 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])ccn1 ZINC001608260944 1019142801 /nfs/dbraw/zinc/14/28/01/1019142801.db2.gz DHJBWTCLTLPRBW-LURJTMIESA-N -1 0 323.277 -0.433 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1Cl ZINC001608261717 1019143077 /nfs/dbraw/zinc/14/30/77/1019143077.db2.gz UDYCQNLGFIKQET-ZETCQYMHSA-N -1 0 322.726 -0.837 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H](CC2CC2)C(=O)[O-])cn1 ZINC001608261403 1019143682 /nfs/dbraw/zinc/14/36/82/1019143682.db2.gz IKMJEMYVUHQSMG-SECBINFHSA-N -1 0 313.335 -0.288 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001608260982 1019143803 /nfs/dbraw/zinc/14/38/03/1019143803.db2.gz FNQGRONEHJACEH-SNVBAGLBSA-N -1 0 317.367 -0.809 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])co1 ZINC001608262134 1019144110 /nfs/dbraw/zinc/14/41/10/1019144110.db2.gz OYWNABBCBWTTOU-HZGVNTEJSA-N -1 0 318.307 -0.854 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC(C(=O)[O-])C2)oc1Cl ZINC001608261473 1019144389 /nfs/dbraw/zinc/14/43/89/1019144389.db2.gz UDOYHCHJZVIXMD-UHFFFAOYSA-N -1 0 308.699 -0.263 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC3CC2(C(=O)[O-])C3)cn1 ZINC001608261439 1019145086 /nfs/dbraw/zinc/14/50/86/1019145086.db2.gz KMTCYEMFHVBNDE-UHFFFAOYSA-N -1 0 311.319 -0.582 20 0 DBADRM NS(=O)(=O)c1ccc(CN2CCC[C@H](O)[C@@H]2C(=O)[O-])s1 ZINC001608263491 1019145291 /nfs/dbraw/zinc/14/52/91/1019145291.db2.gz SSMGHDHPDSSJCG-WCBMZHEXSA-N -1 0 320.392 -0.195 20 0 DBADRM Nc1ncn(CC(=O)N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)n1 ZINC001608277045 1019147599 /nfs/dbraw/zinc/14/75/99/1019147599.db2.gz DVZMDERLTBIFLQ-NKWVEPMBSA-N -1 0 321.259 -0.028 20 0 DBADRM NS(=O)(=O)c1cccc(NC(=O)Cn2ccc(C(=O)[O-])n2)c1 ZINC001608264596 1019147927 /nfs/dbraw/zinc/14/79/27/1019147927.db2.gz KVKVDVPIFJLMKC-UHFFFAOYSA-N -1 0 324.318 -0.133 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC001608277215 1019149230 /nfs/dbraw/zinc/14/92/30/1019149230.db2.gz FWFWBYVQXMIQTQ-SECBINFHSA-N -1 0 304.310 -0.222 20 0 DBADRM Nc1nsc(N2CCN(C(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)n1 ZINC001608280012 1019150859 /nfs/dbraw/zinc/15/08/59/1019150859.db2.gz PTIGCULCQOHESP-OCAPTIKFSA-N -1 0 311.367 -0.120 20 0 DBADRM Nc1nnc(CC(=O)N(CC(=O)[O-])C2CCOCC2)s1 ZINC001608279984 1019151454 /nfs/dbraw/zinc/15/14/54/1019151454.db2.gz OLHMFQROZRABAZ-UHFFFAOYSA-N -1 0 300.340 -0.245 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CC1(O)CCOCC1)[C@@H]1CCOC1 ZINC001608291782 1019152862 /nfs/dbraw/zinc/15/28/62/1019152862.db2.gz ROPBTFGJBVZURC-MNOVXSKESA-N -1 0 301.339 -0.229 20 0 DBADRM O=C(/C=C/CN1CCOCC1)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001608282459 1019152897 /nfs/dbraw/zinc/15/28/97/1019152897.db2.gz VRRBHWGQXHHYAP-FMBMQGQPSA-N -1 0 314.338 -0.793 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC001608294518 1019153059 /nfs/dbraw/zinc/15/30/59/1019153059.db2.gz VIMNYTNUIWVMFO-QWRGUYRKSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)C[C@@H]2CCCOC2)n1 ZINC001608295649 1019154556 /nfs/dbraw/zinc/15/45/56/1019154556.db2.gz RFGRLWOMXULMIE-JTQLQIEISA-N -1 0 308.338 -0.059 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)C[C@@H]1CCCS1(=O)=O ZINC001608297207 1019155185 /nfs/dbraw/zinc/15/51/85/1019155185.db2.gz QAJDEMWZIGCVPQ-VHSXEESVSA-N -1 0 315.351 -0.511 20 0 DBADRM O=C(CCN1CCOC1=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001608309103 1019155738 /nfs/dbraw/zinc/15/57/38/1019155738.db2.gz IDOVPOXGENYRFD-SECBINFHSA-N -1 0 316.310 -0.449 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCCn1c(=O)oc2ccccc21 ZINC001608306271 1019155956 /nfs/dbraw/zinc/15/59/56/1019155956.db2.gz JMLAEZKWILHPED-JTQLQIEISA-N -1 0 308.290 -0.064 20 0 DBADRM O=C([O-])C1(NC(=O)C[C@@H]2CCS(=O)(=O)C2)CC(CO)C1 ZINC001608297820 1019156712 /nfs/dbraw/zinc/15/67/12/1019156712.db2.gz VYBYPWCYMRWETN-QTZUAFFRSA-N -1 0 305.352 -0.847 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001608315851 1019158622 /nfs/dbraw/zinc/15/86/22/1019158622.db2.gz OAURHETXJUWLLY-SNVBAGLBSA-N -1 0 305.294 -0.419 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)CCc2nnc(C(F)F)o2)C1 ZINC001608323102 1019158816 /nfs/dbraw/zinc/15/88/16/1019158816.db2.gz XEOBVLFKPZKGAD-LLVKDONJSA-N -1 0 305.237 -0.012 20 0 DBADRM O=C([O-])c1ccccc1CCC(=O)NC[C@]1(CO)COCCN1 ZINC001608318488 1019159633 /nfs/dbraw/zinc/15/96/33/1019159633.db2.gz SJDMCDHWUFHRPF-INIZCTEOSA-N -1 0 322.361 -0.216 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)CCc2nnc(C(F)F)o2)C1 ZINC001608323103 1019160110 /nfs/dbraw/zinc/16/01/10/1019160110.db2.gz XEOBVLFKPZKGAD-NSHDSACASA-N -1 0 305.237 -0.012 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)CCOC1CCOCC1 ZINC001608311224 1019160123 /nfs/dbraw/zinc/16/01/23/1019160123.db2.gz HKBJDFYBFLSKOS-LLVKDONJSA-N -1 0 312.326 -0.567 20 0 DBADRM O=C([O-])c1cnc(NCCCNC(=O)CCc2nnc[nH]2)nc1 ZINC001608321495 1019160207 /nfs/dbraw/zinc/16/02/07/1019160207.db2.gz BOOZFZCHPMYRSQ-UHFFFAOYSA-N -1 0 319.325 -0.156 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CN2CCCS2(=O)=O)nc1 ZINC001608330462 1019160990 /nfs/dbraw/zinc/16/09/90/1019160990.db2.gz BGAURAPQGRMDQY-UHFFFAOYSA-N -1 0 313.335 -0.569 20 0 DBADRM O=C([O-])c1cccc(CCNC(=O)CN2CCC(=O)NC2=O)c1 ZINC001608327401 1019161158 /nfs/dbraw/zinc/16/11/58/1019161158.db2.gz HLMSWRIVSSWIOU-UHFFFAOYSA-N -1 0 319.317 -0.015 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NC[C@H](CO)CC2CC2)C1=O ZINC001608330339 1019162405 /nfs/dbraw/zinc/16/24/05/1019162405.db2.gz NESXDICPNDTLMS-VXGBXAGGSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C(CN1CCCNC1=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001608330545 1019162455 /nfs/dbraw/zinc/16/24/55/1019162455.db2.gz DUQAVLGHKMWDBP-GHMZBOCLSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 ZINC001608327154 1019162564 /nfs/dbraw/zinc/16/25/64/1019162564.db2.gz CJVUSQOVRAWNJJ-OAHLLOKOSA-N -1 0 318.285 -0.669 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2nc3ccccn3n2)C1=O ZINC001608334306 1019164091 /nfs/dbraw/zinc/16/40/91/1019164091.db2.gz ZTJVMDIAGCWBPV-SECBINFHSA-N -1 0 317.305 -0.009 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)Nc2nc3ccccn3n2)C1=O ZINC001608334307 1019164785 /nfs/dbraw/zinc/16/47/85/1019164785.db2.gz ZTJVMDIAGCWBPV-VIFPVBQESA-N -1 0 317.305 -0.009 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NCc1ccc(=O)[nH]n1 ZINC001608349695 1019165451 /nfs/dbraw/zinc/16/54/51/1019165451.db2.gz QPQRUCGFGGAKDX-UHFFFAOYSA-N -1 0 308.250 -0.299 20 0 DBADRM O=C([O-])c1cn([C@@H]2COC[C@H]2OC(=O)COC(F)F)nn1 ZINC001608346467 1019165614 /nfs/dbraw/zinc/16/56/14/1019165614.db2.gz ALCITPMLBWAGEJ-RNFRBKRXSA-N -1 0 307.209 -0.301 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)CNC(=O)C1CCCCC1 ZINC001608337803 1019166732 /nfs/dbraw/zinc/16/67/32/1019166732.db2.gz PVFSCMGHTXDZCE-LLVKDONJSA-N -1 0 323.353 -0.456 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)CNCC(F)(F)F ZINC001608341274 1019167419 /nfs/dbraw/zinc/16/74/19/1019167419.db2.gz CCDRLSGFTOSHCM-ZCFIWIBFSA-N -1 0 300.233 -0.529 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)CNC(=O)c1ccsc1 ZINC001608339709 1019167749 /nfs/dbraw/zinc/16/77/49/1019167749.db2.gz CUHJKITXURCIRX-VIFPVBQESA-N -1 0 323.334 -0.661 20 0 DBADRM O=C([O-])c1cn([C@@H]2COC[C@H]2OC(=O)COCC(F)F)nn1 ZINC001608347364 1019167802 /nfs/dbraw/zinc/16/78/02/1019167802.db2.gz ODJJGPDHDYXDSI-HTQZYQBOSA-N -1 0 321.236 -0.259 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC001608356709 1019168976 /nfs/dbraw/zinc/16/89/76/1019168976.db2.gz WKEGELNXTNTPJD-UWVGGRQHSA-N -1 0 323.280 -0.334 20 0 DBADRM O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001608356059 1019169175 /nfs/dbraw/zinc/16/91/75/1019169175.db2.gz BRRNZTGORFLNHU-UWVGGRQHSA-N -1 0 305.290 -0.431 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)CC1C(=O)N=CNC1=O ZINC001608357528 1019169463 /nfs/dbraw/zinc/16/94/63/1019169463.db2.gz MQISQSQXXGBIFC-APPZFPTMSA-N -1 0 311.294 -0.431 20 0 DBADRM O=C([O-])[C@@H](CCF)NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC001608354584 1019169624 /nfs/dbraw/zinc/16/96/24/1019169624.db2.gz QIOOAAYVUTZVSH-JGVFFNPUSA-N -1 0 313.372 -0.164 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)Cc2c[nH]cn2)CC1 ZINC001608369831 1019170230 /nfs/dbraw/zinc/17/02/30/1019170230.db2.gz IBINLMZORWCIEL-VHSXEESVSA-N -1 0 306.322 -0.562 20 0 DBADRM O=C(C[C@@H]1NC(=O)NC1=O)NC1(C(=O)[O-])CCSCC1 ZINC001608356649 1019170942 /nfs/dbraw/zinc/17/09/42/1019170942.db2.gz QRRCXFNRWHHXCU-LURJTMIESA-N -1 0 301.324 -0.949 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)Cc2cncnc2)C1 ZINC001608369999 1019171038 /nfs/dbraw/zinc/17/10/38/1019171038.db2.gz QTMMCOBTQKKATO-WHOHXGKFSA-N -1 0 318.333 -0.497 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NC[C@H]2CCCCS2(=O)=O)c1 ZINC001608374894 1019173034 /nfs/dbraw/zinc/17/30/34/1019173034.db2.gz HNLPDXWTWHRBBE-SNVBAGLBSA-N -1 0 315.351 -0.335 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)Cc2ncccc2F)C1 ZINC001608371904 1019173283 /nfs/dbraw/zinc/17/32/83/1019173283.db2.gz YCFPVBBESNSOLW-UWVGGRQHSA-N -1 0 321.308 -0.189 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NC[C@@H]2CCS(=O)(=O)C2)n1 ZINC001608377706 1019175024 /nfs/dbraw/zinc/17/50/24/1019175024.db2.gz AXIOXEQOGURVHA-QMMMGPOBSA-N -1 0 301.324 -0.868 20 0 DBADRM O=C([O-])c1cn(CC(=O)OCCNC(=O)C2CCCC2)nn1 ZINC001608376898 1019175101 /nfs/dbraw/zinc/17/51/01/1019175101.db2.gz DJGWJMVOIMLUHC-UHFFFAOYSA-N -1 0 310.310 -0.174 20 0 DBADRM O=C([O-])c1cn(CC(=O)OC[C@@H]2CCCS(=O)(=O)C2)nn1 ZINC001608377458 1019175225 /nfs/dbraw/zinc/17/52/25/1019175225.db2.gz QBJVJPZMQROVJT-QMMMGPOBSA-N -1 0 317.323 -0.656 20 0 DBADRM O=C(Cn1nnc(-c2ccccc2)n1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001608381359 1019176154 /nfs/dbraw/zinc/17/61/54/1019176154.db2.gz IKIRPXRKCOFWJV-WJONMLJTSA-N -1 0 317.305 -0.566 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)Cn1ncnn1)Cc1ccc(O)cc1 ZINC001608381974 1019176677 /nfs/dbraw/zinc/17/66/77/1019176677.db2.gz XALJTVXAWVLVGJ-SNVBAGLBSA-N -1 0 305.294 -0.562 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001608401735 1019178295 /nfs/dbraw/zinc/17/82/95/1019178295.db2.gz MWDDJASURXKQAG-VIFPVBQESA-N -1 0 316.277 -0.257 20 0 DBADRM O=C([O-])[C@H](CC1CCOCC1)NC(=O)c1cnn(CCO)c1 ZINC001608396698 1019178791 /nfs/dbraw/zinc/17/87/91/1019178791.db2.gz OPEFNKIMRLKSRE-LBPRGKRZSA-N -1 0 311.338 -0.125 20 0 DBADRM O=C([O-])C1CC2(C1)C[C@H](NC(=O)NC(CO)CO)CCS2 ZINC001608398128 1019179542 /nfs/dbraw/zinc/17/95/42/1019179542.db2.gz PFEWIXMXIRLXJE-XQVHRTOBSA-N -1 0 318.395 -0.232 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)C1=C2CCCN=C2NN1 ZINC001608396324 1019180050 /nfs/dbraw/zinc/18/00/50/1019180050.db2.gz IWQLCRPPIXSBNH-SECBINFHSA-N -1 0 324.337 -0.737 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1ccc2cccnn21 ZINC001608403711 1019180283 /nfs/dbraw/zinc/18/02/83/1019180283.db2.gz UOWUVQARRKXVPU-JTQLQIEISA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC001608398553 1019180413 /nfs/dbraw/zinc/18/04/13/1019180413.db2.gz GAKLMAXWUIFJTG-SNVBAGLBSA-N -1 0 323.280 -0.109 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001608402654 1019180543 /nfs/dbraw/zinc/18/05/43/1019180543.db2.gz JNASUAIACRDGHW-LDYMZIIASA-N -1 0 304.310 -0.624 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@@H]2CCCC23CC3)C1 ZINC001608408792 1019181363 /nfs/dbraw/zinc/18/13/63/1019181363.db2.gz CMLHDWWVIGSCON-GMTAPVOTSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC001608411428 1019181422 /nfs/dbraw/zinc/18/14/22/1019181422.db2.gz YDSMZGLTCFLLAI-VHSXEESVSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC001608411196 1019181876 /nfs/dbraw/zinc/18/18/76/1019181876.db2.gz VGHYSTAZNXIHND-NXEZZACHSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2cnon2)CC1 ZINC001608409766 1019181911 /nfs/dbraw/zinc/18/19/11/1019181911.db2.gz GFIMCYVPWFWGLN-BDAKNGLRSA-N -1 0 308.294 -0.489 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)CNC(=O)c1cccs1 ZINC001608414404 1019182011 /nfs/dbraw/zinc/18/20/11/1019182011.db2.gz GBEQEVLUICCWDP-KWQFWETISA-N -1 0 312.347 -0.086 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC001608411201 1019182416 /nfs/dbraw/zinc/18/24/16/1019182416.db2.gz VGHYSTAZNXIHND-ZJUUUORDSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(NC(=O)c2cccc(=O)[nH]2)CC1 ZINC001608407231 1019182694 /nfs/dbraw/zinc/18/26/94/1019182694.db2.gz XKHJBODOJOIQMS-IUCAKERBSA-N -1 0 319.317 -0.114 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)CNC(=O)c1cccc(O)c1 ZINC001608414335 1019182842 /nfs/dbraw/zinc/18/28/42/1019182842.db2.gz AMMQPOKVVZXKLC-AAEUAGOBSA-N -1 0 322.317 -0.442 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@H]2CCOC3(CCOCC3)C2)C1 ZINC001608411913 1019183589 /nfs/dbraw/zinc/18/35/89/1019183589.db2.gz BCCGNBQYSLPVGY-JTQLQIEISA-N -1 0 314.338 -0.445 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@@H]1CC1(C)C ZINC001502819672 1019183931 /nfs/dbraw/zinc/18/39/31/1019183931.db2.gz SXDXECIJEUMHGX-WPRPVWTQSA-N -1 0 322.365 -0.234 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)CNC(=O)c2ccncc2)C1 ZINC001608415102 1019184903 /nfs/dbraw/zinc/18/49/03/1019184903.db2.gz AFIZQCNRKBRIEW-QWRGUYRKSA-N -1 0 307.306 -0.895 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)c2ccoc2)n1 ZINC001608421753 1019185064 /nfs/dbraw/zinc/18/50/64/1019185064.db2.gz FVHOHWGSPTYCQB-VIFPVBQESA-N -1 0 306.278 -0.608 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2ccncn2)CC1 ZINC001608430564 1019185377 /nfs/dbraw/zinc/18/53/77/1019185377.db2.gz NZBUOYLQFPTEPT-IUCAKERBSA-N -1 0 304.306 -0.424 20 0 DBADRM O=C([O-])[C@@H]1CCc2sc(NC(=O)NC[C@H](O)CO)nc2C1 ZINC001608425124 1019185475 /nfs/dbraw/zinc/18/54/75/1019185475.db2.gz SHLJSBFGXSWEKP-RQJHMYQMSA-N -1 0 315.351 -0.193 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C2CC=CC2)C1 ZINC001608430230 1019185992 /nfs/dbraw/zinc/18/59/92/1019185992.db2.gz JGWLIFVSYUEVDP-QWRGUYRKSA-N -1 0 308.334 -0.637 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCOC1 ZINC001608427638 1019186079 /nfs/dbraw/zinc/18/60/79/1019186079.db2.gz AAGLRNNOIDAIJP-XPTSAGLGSA-N -1 0 322.321 -0.630 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)c2ccoc2)n1 ZINC001608421752 1019186305 /nfs/dbraw/zinc/18/63/05/1019186305.db2.gz FVHOHWGSPTYCQB-SECBINFHSA-N -1 0 306.278 -0.608 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCS1 ZINC001608433936 1019187555 /nfs/dbraw/zinc/18/75/55/1019187555.db2.gz FZPLWXKITQAVOH-KXUCPTDWSA-N -1 0 316.379 -0.396 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCCS1(=O)=O ZINC001608434110 1019187792 /nfs/dbraw/zinc/18/77/92/1019187792.db2.gz IDKQYVFKJIZIEB-KXUCPTDWSA-N -1 0 320.367 -0.648 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)NCC2CC=CC2)CC1 ZINC001608432240 1019189087 /nfs/dbraw/zinc/18/90/87/1019189087.db2.gz LGMJZVZXRJANGA-LBPRGKRZSA-N -1 0 310.350 -0.247 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NC[C@@H]2CC3CCC2CC3)C1 ZINC001608432866 1019189571 /nfs/dbraw/zinc/18/95/71/1019189571.db2.gz RRLJHPDUVYTNOK-ILDUYXDCSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCc2nnc[nH]2)cc1F ZINC001608456389 1019190790 /nfs/dbraw/zinc/19/07/90/1019190790.db2.gz ZVVXBKJAMYIHIR-UHFFFAOYSA-N -1 0 321.268 -0.061 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NCCOCCCO ZINC001608448480 1019190812 /nfs/dbraw/zinc/19/08/12/1019190812.db2.gz SEXRFGUSMVPDJM-UHFFFAOYSA-N -1 0 310.306 -0.162 20 0 DBADRM O=C([O-])c1cnc(CNC(=O)NCCN2CCNC2=O)s1 ZINC001608446131 1019190845 /nfs/dbraw/zinc/19/08/45/1019190845.db2.gz CSQCBNBAARBWMJ-UHFFFAOYSA-N -1 0 313.339 -0.334 20 0 DBADRM O=C([O-])c1nccc(N(CCNC(=O)c2cnon2)C2CC2)n1 ZINC001608445444 1019190900 /nfs/dbraw/zinc/19/09/00/1019190900.db2.gz PEHVRPJGUCPHIQ-UHFFFAOYSA-N -1 0 318.293 -0.043 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCCc2cn3c(n2)CCCC3)C1 ZINC001608454505 1019190950 /nfs/dbraw/zinc/19/09/50/1019190950.db2.gz KHWLEJNNHBJCAP-UHFFFAOYSA-N -1 0 308.338 -0.397 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCNC(=O)c2cnccn2)[nH]1 ZINC001608445962 1019191672 /nfs/dbraw/zinc/19/16/72/1019191672.db2.gz SRQVMTIUJPNLJZ-UHFFFAOYSA-N -1 0 303.278 -0.337 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)NC[C@]23C[C@H]2CCC3)CC1 ZINC001608458063 1019192063 /nfs/dbraw/zinc/19/20/63/1019192063.db2.gz YYMJQVKQCRRIGV-WQGACYEGSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C2CC2)C1 ZINC001608458601 1019192101 /nfs/dbraw/zinc/19/21/01/1019192101.db2.gz VPLKZQVTKYXXFZ-IJLUTSLNSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CO)[C@H]1CCCOC1 ZINC001608458307 1019192553 /nfs/dbraw/zinc/19/25/53/1019192553.db2.gz ICDHHXFUCQTVKZ-NOOOWODRSA-N -1 0 316.354 -0.437 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C2CC2)C1 ZINC001608458600 1019192977 /nfs/dbraw/zinc/19/29/77/1019192977.db2.gz VPLKZQVTKYXXFZ-GRYCIOLGSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC001608460188 1019193389 /nfs/dbraw/zinc/19/33/89/1019193389.db2.gz BBICKOVULBQGBA-AMXGMDGSSA-N -1 0 324.255 -0.651 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCOc2ccccc2C1 ZINC001608458085 1019193407 /nfs/dbraw/zinc/19/34/07/1019193407.db2.gz WJUNOQAEYGWPAK-JTQLQIEISA-N -1 0 310.281 -0.054 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCN(CC(F)F)CC1 ZINC001608461522 1019194066 /nfs/dbraw/zinc/19/40/66/1019194066.db2.gz YEJKEAPLAOQTED-RKDXNWHRSA-N -1 0 319.308 -0.767 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)c2cccnn2)C1 ZINC001608461021 1019194182 /nfs/dbraw/zinc/19/41/82/1019194182.db2.gz QIASKBWKEICBRJ-XWLWVQCSSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NCC1(OCCO)CCOCC1 ZINC001608461090 1019194242 /nfs/dbraw/zinc/19/42/42/1019194242.db2.gz QPTYUITZWHYLMS-GHMZBOCLSA-N -1 0 316.354 -0.436 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)N1CC([C@H]3CCOC3)C1)C2 ZINC001608491761 1019196096 /nfs/dbraw/zinc/19/60/96/1019196096.db2.gz PLXFNHNGPQAZGF-QMABLASFSA-N -1 0 322.361 -0.149 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)C1CCS(=O)(=O)CC1 ZINC001608486774 1019197202 /nfs/dbraw/zinc/19/72/02/1019197202.db2.gz GRXRLIVUDVKLRP-SNVBAGLBSA-N -1 0 315.351 -0.654 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)N1CC([C@@H]3CCOC3)C1)C2 ZINC001608491760 1019197594 /nfs/dbraw/zinc/19/75/94/1019197594.db2.gz PLXFNHNGPQAZGF-DVIHMLIVSA-N -1 0 322.361 -0.149 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CC[C@H](C2OCCO2)C1 ZINC001608492286 1019197742 /nfs/dbraw/zinc/19/77/42/1019197742.db2.gz WVSBZCMXCLTINY-LPEHRKFASA-N -1 0 312.322 -0.813 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001608491343 1019197803 /nfs/dbraw/zinc/19/78/03/1019197803.db2.gz ADMFYGREYMBNNO-UTINFBMNSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)CC[C@@H]1CC1(Cl)Cl ZINC001608540876 1019199842 /nfs/dbraw/zinc/19/98/42/1019199842.db2.gz WESVBTHCDJZBDO-RITPCOANSA-N -1 0 306.167 -0.065 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)N1CCS(=O)(=O)CC1)[C@@H]1CCOC1 ZINC001608537033 1019200008 /nfs/dbraw/zinc/20/00/08/1019200008.db2.gz OJZAYFSYPWRALX-ZJUUUORDSA-N -1 0 320.367 -0.836 20 0 DBADRM O=C([O-])[C@H](CNS(=O)(=O)C[C@H]1CCOC1)[C@H]1CCOC1 ZINC001608539225 1019200020 /nfs/dbraw/zinc/20/00/20/1019200020.db2.gz YBKOLJRZRIKCBB-GARJFASQSA-N -1 0 307.368 -0.320 20 0 DBADRM O=C([O-])[C@H](CC(F)F)NC(=O)C1(n2cnnn2)CCOCC1 ZINC001608530570 1019200334 /nfs/dbraw/zinc/20/03/34/1019200334.db2.gz YPVLKNQVESTQNY-ZETCQYMHSA-N -1 0 319.268 -0.597 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@]1(O)CCOC1)Cc1ccc(O)cc1 ZINC001608535419 1019200515 /nfs/dbraw/zinc/20/05/15/1019200515.db2.gz KYIHLTBYBLNKJH-IAQYHMDHSA-N -1 0 309.318 -0.097 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001608536376 1019201097 /nfs/dbraw/zinc/20/10/97/1019201097.db2.gz NZKMGUZGVWEQKE-CBAPKCEASA-N -1 0 310.310 -0.443 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C1(n2cnnn2)CC1)Cc1ccncc1 ZINC001608534520 1019201936 /nfs/dbraw/zinc/20/19/36/1019201936.db2.gz DWNVRXYQWOBCDS-NSHDSACASA-N -1 0 316.321 -0.383 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(S(=O)(=O)c2c[nH]nc2Cl)CC1 ZINC001608556413 1019204227 /nfs/dbraw/zinc/20/42/27/1019204227.db2.gz AMLSVYOBDPYDFZ-QMMMGPOBSA-N -1 0 323.758 -0.091 20 0 DBADRM O=C([O-])[C@@H](c1ccsc1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001608562840 1019205211 /nfs/dbraw/zinc/20/52/11/1019205211.db2.gz RMYIAPHRSXRSAT-VHSXEESVSA-N -1 0 317.392 -0.292 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001608564619 1019205235 /nfs/dbraw/zinc/20/52/35/1019205235.db2.gz BVTZQYGRZRYDMQ-SKDRFNHKSA-N -1 0 317.363 -0.296 20 0 DBADRM O=C([O-])C12CC(C1)CN2S(=O)(=O)CCCN1CCOCC1 ZINC001608582074 1019207840 /nfs/dbraw/zinc/20/78/40/1019207840.db2.gz WDEHGRIDXJKSTF-UHFFFAOYSA-N -1 0 318.395 -0.413 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCC[C@@]2(O)CCCOC2)CCC1 ZINC001608580270 1019208368 /nfs/dbraw/zinc/20/83/68/1019208368.db2.gz DBDXGDHGJLEIFW-NSHDSACASA-N -1 0 307.368 -0.155 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CC(C3CS(=O)(=O)C3)C2)CCC1 ZINC001608579710 1019208548 /nfs/dbraw/zinc/20/85/48/1019208548.db2.gz QHOJNKJXYCRESL-UHFFFAOYSA-N -1 0 323.392 -0.700 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2cncc(Cl)c2)C1 ZINC001608578776 1019208646 /nfs/dbraw/zinc/20/86/46/1019208646.db2.gz KXSBRQQKBXRASI-JTQLQIEISA-N -1 0 306.727 -0.055 20 0 DBADRM O=C([O-])C1(O)CN(c2cnc(I)cn2)C1 ZINC001608579284 1019208784 /nfs/dbraw/zinc/20/87/84/1019208784.db2.gz ILJNOTPGWXUHLC-UHFFFAOYSA-N -1 0 321.074 -0.283 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)CC[C@@H]2CCOC2)CC(CO)C1 ZINC001608577165 1019209292 /nfs/dbraw/zinc/20/92/92/1019209292.db2.gz XYSXHXPXQVJKEX-BMQDGWLCSA-N -1 0 307.368 -0.442 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C2OCCO2)C1 ZINC001608587980 1019211301 /nfs/dbraw/zinc/21/13/01/1019211301.db2.gz YEVNZGVANQBYBJ-QWRGUYRKSA-N -1 0 324.333 -0.360 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)C1 ZINC001608586957 1019212505 /nfs/dbraw/zinc/21/25/05/1019212505.db2.gz NSXZMIFGZUGDMB-SDDRHHMPSA-N -1 0 318.333 -0.294 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CCO[C@H](CCF)C2)C1 ZINC001608587962 1019213002 /nfs/dbraw/zinc/21/30/02/1019213002.db2.gz XYPREOVBSSZSQG-GHMZBOCLSA-N -1 0 314.313 -0.137 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)NCCCn3cncn3)C2)C1 ZINC001608590329 1019213236 /nfs/dbraw/zinc/21/32/36/1019213236.db2.gz UWEJHKZRMKPDAB-CYBMUJFWSA-N -1 0 322.325 -0.317 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2cccnc2OCCO)C1 ZINC001608602389 1019215114 /nfs/dbraw/zinc/21/51/14/1019215114.db2.gz SQHHLKRVYGOTFE-NXEZZACHSA-N -1 0 310.306 -0.640 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2cccnc2OCCO)C1 ZINC001608602390 1019215195 /nfs/dbraw/zinc/21/51/95/1019215195.db2.gz SQHHLKRVYGOTFE-UWVGGRQHSA-N -1 0 310.306 -0.640 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC[C@@H](C3CC3)C2)C1 ZINC001608601457 1019215330 /nfs/dbraw/zinc/21/53/30/1019215330.db2.gz KWIVRNBAQIPVAQ-UTUOFQBUSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001608600663 1019216356 /nfs/dbraw/zinc/21/63/56/1019216356.db2.gz DZOFNYWLEVSVCA-YUMQZZPRSA-N -1 0 306.278 -0.658 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(S(=O)(=O)c2c[nH]nc2Cl)C1 ZINC001608601327 1019216697 /nfs/dbraw/zinc/21/66/97/1019216697.db2.gz IYEJRBSDCKPGOG-NTSWFWBYSA-N -1 0 309.731 -0.481 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001608599372 1019216822 /nfs/dbraw/zinc/21/68/22/1019216822.db2.gz AXLACOLPZQUXCM-HBNTYKKESA-N -1 0 308.338 -0.475 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)CCCn2ccccc2=O)C1 ZINC001608603761 1019217813 /nfs/dbraw/zinc/21/78/13/1019217813.db2.gz ZYBQJBBQWZBHLB-RYUDHWBXSA-N -1 0 308.334 -0.078 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC[C@@H]2C2CC2)C1 ZINC001608603394 1019217880 /nfs/dbraw/zinc/21/78/80/1019217880.db2.gz WXTVRPAJYZHCHK-IJLUTSLNSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCc2nnnn2CC2CC2)C1 ZINC001608605379 1019217965 /nfs/dbraw/zinc/21/79/65/1019217965.db2.gz PZBUXCRPLHUYSW-NXEZZACHSA-N -1 0 324.341 -0.940 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(c2cc(N3CCOCC3)ncn2)C1 ZINC001608608133 1019217976 /nfs/dbraw/zinc/21/79/76/1019217976.db2.gz TZOSSKHSXAFRNS-GHMZBOCLSA-N -1 0 308.338 -0.415 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)Cn2cccn2)CC1 ZINC001608609411 1019219409 /nfs/dbraw/zinc/21/94/09/1019219409.db2.gz ABQWKCQNAOWCMD-GHMZBOCLSA-N -1 0 306.322 -0.725 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCCOC[C@@H]2CCOC2)C1 ZINC001608606982 1019219553 /nfs/dbraw/zinc/21/95/53/1019219553.db2.gz VZFHDFLUSNXGPR-UTUOFQBUSA-N -1 0 316.354 -0.484 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)Nc2nc3n(n2)CCCC3)C1 ZINC001608603541 1019219828 /nfs/dbraw/zinc/21/98/28/1019219828.db2.gz FPMXPYUZRQWOCX-BDAKNGLRSA-N -1 0 309.326 -0.086 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)Cc1ccc[nH]1 ZINC001608609562 1019220033 /nfs/dbraw/zinc/22/00/33/1019220033.db2.gz CARSLJDXRAVWAZ-NWDGAFQWSA-N -1 0 323.349 -0.785 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccnnc3)C[C@H]21 ZINC001608610129 1019220873 /nfs/dbraw/zinc/22/08/73/1019220873.db2.gz HFNLOYDKJSBDAW-JCIQBVFBSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2ccco2)C1 ZINC001608610702 1019222364 /nfs/dbraw/zinc/22/23/64/1019222364.db2.gz KSMOOTSSFYEQIM-WDEREUQCSA-N -1 0 322.317 -0.768 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cnn3cc[nH]c23)C1 ZINC001608609896 1019223071 /nfs/dbraw/zinc/22/30/71/1019223071.db2.gz FLVJKRUDOXJWRK-DTWKUNHWSA-N -1 0 317.305 -0.676 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ncccn2)CC1 ZINC001608610107 1019223152 /nfs/dbraw/zinc/22/31/52/1019223152.db2.gz GZTACGMHMOIYAV-NXEZZACHSA-N -1 0 304.306 -0.518 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3cocn3)C[C@@H]2C1 ZINC001608610643 1019223200 /nfs/dbraw/zinc/22/32/00/1019223200.db2.gz JQXOHWPQZUNRGK-LMLFDSFASA-N -1 0 319.317 -0.074 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC/C=C/CNc1ccc2nnnn2n1 ZINC001608610177 1019223287 /nfs/dbraw/zinc/22/32/87/1019223287.db2.gz IAACQIAKLNXYHX-NPIHWTNLSA-N -1 0 317.309 -0.676 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cnsn3)C[C@H]21 ZINC001608611221 1019224114 /nfs/dbraw/zinc/22/41/14/1019224114.db2.gz QADJTEQGKLVPCX-XXFSISAASA-N -1 0 308.363 -0.195 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)Cn2cccn2)CC1 ZINC001608611434 1019224391 /nfs/dbraw/zinc/22/43/91/1019224391.db2.gz POYXYLVNCGGBEE-NEPJUHHUSA-N -1 0 320.349 -0.289 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)CCc2ncccn2)C1 ZINC001608611814 1019224485 /nfs/dbraw/zinc/22/44/85/1019224485.db2.gz RNCXVRZOOICYQB-QWRGUYRKSA-N -1 0 318.333 -0.543 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(Cc2nnc(C3CC3)[nH]2)C1 ZINC001608611775 1019224539 /nfs/dbraw/zinc/22/45/39/1019224539.db2.gz RHEAGMCBDANHEN-VHSXEESVSA-N -1 0 305.338 -0.297 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CC1 ZINC001608611639 1019224967 /nfs/dbraw/zinc/22/49/67/1019224967.db2.gz UPPVANBXCAMQNJ-KYXWUPHJSA-N -1 0 323.353 -0.252 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(Cc2nnc(C3CC3)[nH]2)C1 ZINC001608611773 1019225870 /nfs/dbraw/zinc/22/58/70/1019225870.db2.gz RHEAGMCBDANHEN-UWVGGRQHSA-N -1 0 305.338 -0.297 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)C2=CCOCC2)C1 ZINC001608611986 1019225940 /nfs/dbraw/zinc/22/59/40/1019225940.db2.gz SFFLUUBBHOMLQL-NEPJUHHUSA-N -1 0 308.334 -0.372 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2ccncc2F)C1 ZINC001608611898 1019226195 /nfs/dbraw/zinc/22/61/95/1019226195.db2.gz RURVJBDBNHFYRC-VHSXEESVSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC2(CN(C(=O)c3cn[nH]c3)C2)C1 ZINC001608611198 1019226591 /nfs/dbraw/zinc/22/65/91/1019226591.db2.gz NVABUFBJAWQYAQ-WDEREUQCSA-N -1 0 318.333 -0.195 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cocn3)C[C@H]21 ZINC001608612211 1019227700 /nfs/dbraw/zinc/22/77/00/1019227700.db2.gz YWOMEFXUJJDYRP-HTFKAIDBSA-N -1 0 305.290 -0.418 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCC1 ZINC001608612545 1019228430 /nfs/dbraw/zinc/22/84/30/1019228430.db2.gz XGNGHDPUKHQLAL-LVEVGFFFSA-N -1 0 322.361 -0.245 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2cnon2)CC1 ZINC001608612070 1019229022 /nfs/dbraw/zinc/22/90/22/1019229022.db2.gz SKRYZAYBHCWYKV-RKDXNWHRSA-N -1 0 308.294 -0.489 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H]2C(=O)N(Cc3nnnn3C3CC3)C(=O)N2C1 ZINC001608619944 1019229060 /nfs/dbraw/zinc/22/90/60/1019229060.db2.gz BZWJWZQUVHEWOE-IONNQARKSA-N -1 0 320.309 -0.365 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]2C(=O)N(CC[C@@]3(O)CCOC3)C(=O)N2C1 ZINC001608620742 1019229238 /nfs/dbraw/zinc/22/92/38/1019229238.db2.gz RLYKGZDYPDXORA-GPCCPHFNSA-N -1 0 312.322 -0.345 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2cnccn2)C1 ZINC001608612160 1019229262 /nfs/dbraw/zinc/22/92/62/1019229262.db2.gz SWMNSDPJTOQCAB-UWVGGRQHSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001608612104 1019229439 /nfs/dbraw/zinc/22/94/39/1019229439.db2.gz STOYCEQXSQWSSQ-DTWKUNHWSA-N -1 0 319.321 -0.800 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2ncccc2F)C1 ZINC001608612675 1019229587 /nfs/dbraw/zinc/22/95/87/1019229587.db2.gz YSPPCLPOUUOUGY-BDAKNGLRSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001608612557 1019229788 /nfs/dbraw/zinc/22/97/88/1019229788.db2.gz XKMSTBBUOIXTFO-IUCAKERBSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@@H](CO)CN2CCOCC2)C1 ZINC001608621713 1019229843 /nfs/dbraw/zinc/22/98/43/1019229843.db2.gz WPOPVHRBVQSLJF-JHJVBQTASA-N -1 0 314.382 -0.313 20 0 DBADRM O=C([O-])[C@H]1CCC[C@@H]1NS(=O)(=O)CCCN1CCOCC1 ZINC001608624820 1019231276 /nfs/dbraw/zinc/23/12/76/1019231276.db2.gz MQRDCQPNVWYUNE-RYUDHWBXSA-N -1 0 320.411 -0.119 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)N[C@H]1CCCNC1=O ZINC001608626452 1019231538 /nfs/dbraw/zinc/23/15/38/1019231538.db2.gz AFKJWPGHGHXVDN-LPEHRKFASA-N -1 0 304.368 -0.172 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC[C@@H](n3cccn3)C2)C1=O ZINC001608629786 1019231566 /nfs/dbraw/zinc/23/15/66/1019231566.db2.gz SCUMVBIRAJFZAT-NEPJUHHUSA-N -1 0 320.349 -0.020 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)N1C[C@H](CO)[C@H](CO)C1 ZINC001608628030 1019232010 /nfs/dbraw/zinc/23/20/10/1019232010.db2.gz XOGOTLMTBLAGML-WHOHXGKFSA-N -1 0 321.395 -0.508 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCCN1CCOCC1 ZINC001608624821 1019232257 /nfs/dbraw/zinc/23/22/57/1019232257.db2.gz MQRDCQPNVWYUNE-VXGBXAGGSA-N -1 0 320.411 -0.119 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)CN2CCNCC2=O)[C@H]2CCC[C@@H]21 ZINC001608631335 1019232377 /nfs/dbraw/zinc/23/23/77/1019232377.db2.gz GLYGZLSLSMPWCZ-UTUOFQBUSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H](CO)CN2CCOCC2)C1 ZINC001608621716 1019232742 /nfs/dbraw/zinc/23/27/42/1019232742.db2.gz WPOPVHRBVQSLJF-YNEHKIRRSA-N -1 0 314.382 -0.313 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2[C@@H]2COC3(CCC3)C2)CCO1 ZINC001608645911 1019233455 /nfs/dbraw/zinc/23/34/55/1019233455.db2.gz DXNLFRDPGGDVMI-VHSXEESVSA-N -1 0 309.326 -0.153 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CCO1 ZINC001608646584 1019233650 /nfs/dbraw/zinc/23/36/50/1019233650.db2.gz NCNIOXBJTHLYDP-BJDJZHNGSA-N -1 0 323.353 -0.080 20 0 DBADRM O=C([O-])[C@@H]1CN(Cn2nnc3cc(F)ccc3c2=O)CCO1 ZINC001608645456 1019233803 /nfs/dbraw/zinc/23/38/03/1019233803.db2.gz VCMTZNXCZWBXFS-NSHDSACASA-N -1 0 308.269 -0.327 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@H]1CC(c2ccccn2)=NO1 ZINC001608646679 1019234010 /nfs/dbraw/zinc/23/40/10/1019234010.db2.gz SOXSDTOFGKJZEZ-VXGBXAGGSA-N -1 0 305.290 -0.113 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)CCOC2CCOCC2)CCO1 ZINC001608645038 1019234269 /nfs/dbraw/zinc/23/42/69/1019234269.db2.gz FUXVVPWMEMUZQA-LLVKDONJSA-N -1 0 323.367 -0.703 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC001608635174 1019234552 /nfs/dbraw/zinc/23/45/52/1019234552.db2.gz ZIXFCIXPZQKZCJ-URLYPYJESA-N -1 0 304.368 -0.802 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnn(CCF)c1 ZINC001608647871 1019235068 /nfs/dbraw/zinc/23/50/68/1019235068.db2.gz DLBMHTNBZXVEJM-VIFPVBQESA-N -1 0 319.314 -0.824 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)NC[C@@H]2COCCO2)C1 ZINC001608648294 1019235289 /nfs/dbraw/zinc/23/52/89/1019235289.db2.gz VYBWDHYQZALLDZ-NXEZZACHSA-N -1 0 304.368 -0.139 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cc1cccc(O)c1 ZINC001608647732 1019235626 /nfs/dbraw/zinc/23/56/26/1019235626.db2.gz UCEAGXQPATUUHK-LLVKDONJSA-N -1 0 313.331 -0.355 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001608647769 1019235978 /nfs/dbraw/zinc/23/59/78/1019235978.db2.gz XJXHJTYTGUJVKG-TUAOUCFPSA-N -1 0 324.358 -0.105 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCc1ncc[nH]1 ZINC001608647588 1019236244 /nfs/dbraw/zinc/23/62/44/1019236244.db2.gz HJUOBSUFYHAMLM-MRVPVSSYSA-N -1 0 301.324 -0.948 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)C(=O)N2CCC[C@@H](O)C2)C1 ZINC001608647884 1019236354 /nfs/dbraw/zinc/23/63/54/1019236354.db2.gz FEOCUOPDSJAJKK-VHSXEESVSA-N -1 0 316.379 -0.754 20 0 DBADRM O=C([O-])CC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC001608663882 1019237122 /nfs/dbraw/zinc/23/71/22/1019237122.db2.gz RSXHKAOTKOUWOZ-UHFFFAOYSA-N -1 0 304.368 -0.122 20 0 DBADRM O=C([O-])/C=C/c1ccc(C(=O)N(CCO)CCOCCO)o1 ZINC001608657899 1019237289 /nfs/dbraw/zinc/23/72/89/1019237289.db2.gz VWPQZBVZIURWQW-DUXPYHPUSA-N -1 0 313.306 -0.179 20 0 DBADRM O=C([O-])/C=C\c1ccc(C(=O)N(CCO)CCOCCO)o1 ZINC001608657902 1019238062 /nfs/dbraw/zinc/23/80/62/1019238062.db2.gz VWPQZBVZIURWQW-RQOWECAXSA-N -1 0 313.306 -0.179 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)C1CC1 ZINC001608666443 1019238216 /nfs/dbraw/zinc/23/82/16/1019238216.db2.gz JAQVERNYQODJHC-NXEZZACHSA-N -1 0 324.337 -0.567 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)C(=O)NCCc1cnccn1)C1CC1 ZINC001608664601 1019238497 /nfs/dbraw/zinc/23/84/97/1019238497.db2.gz DDROROAOULETKI-NSHDSACASA-N -1 0 320.349 -0.248 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@@H](O)C2CCC2)CCS(=O)(=O)CC1 ZINC001608682037 1019239176 /nfs/dbraw/zinc/23/91/76/1019239176.db2.gz CCBWLGPFWGBVLO-NSHDSACASA-N -1 0 319.379 -0.314 20 0 DBADRM O=C([O-])CC1(NC(=O)Cn2ccnc2)CCS(=O)(=O)CC1 ZINC001608683818 1019239292 /nfs/dbraw/zinc/23/92/92/1019239292.db2.gz JOBDFCIMBBABFS-UHFFFAOYSA-N -1 0 315.351 -0.579 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)CCOCC1CCCC1 ZINC001608676157 1019240098 /nfs/dbraw/zinc/24/00/98/1019240098.db2.gz WWZQKDVKPMAWEZ-NSHDSACASA-N -1 0 309.384 -0.052 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001608676355 1019241237 /nfs/dbraw/zinc/24/12/37/1019241237.db2.gz ZMDCZJURUFSOEQ-NJUXHZRNSA-N -1 0 301.217 -0.716 20 0 DBADRM O=C([O-])CC1CC(NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001608690837 1019242800 /nfs/dbraw/zinc/24/28/00/1019242800.db2.gz CBWRJONCYSWXNK-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cc2c([nH]c1=O)CCC2 ZINC001608689839 1019243217 /nfs/dbraw/zinc/24/32/17/1019243217.db2.gz OVAKGVODLYBOHE-LLVKDONJSA-N -1 0 319.317 -0.309 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ncnc2[nH]ccc21 ZINC001608690109 1019243224 /nfs/dbraw/zinc/24/32/24/1019243224.db2.gz YVFFJEBYPWUIQN-QMMMGPOBSA-N -1 0 303.278 -0.675 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCn2cncc2C1 ZINC001608689470 1019243314 /nfs/dbraw/zinc/24/33/14/1019243314.db2.gz WTBKGXIWOKGZRY-MWLCHTKSSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cnc2nccnc2c1 ZINC001608689978 1019243676 /nfs/dbraw/zinc/24/36/76/1019243676.db2.gz UYQDIFNWIUBJMD-JTQLQIEISA-N -1 0 315.289 -0.560 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cncc2[nH]ccc21 ZINC001608689988 1019243913 /nfs/dbraw/zinc/24/39/13/1019243913.db2.gz VHZRHPRXCIYJLZ-LLVKDONJSA-N -1 0 302.290 -0.022 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)CCO1 ZINC001608700752 1019246083 /nfs/dbraw/zinc/24/60/83/1019246083.db2.gz QBNFTKJYIGADPN-VIFPVBQESA-N -1 0 321.289 -0.272 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)c1cncc(-n2ccnn2)c1 ZINC001608701249 1019246269 /nfs/dbraw/zinc/24/62/69/1019246269.db2.gz SYZAOAQWYBPAKS-GFCCVEGCSA-N -1 0 317.305 -0.022 20 0 DBADRM O=C([O-])COCC(=O)NCCS(=O)(=O)CC(F)(F)F ZINC001574731829 1019246427 /nfs/dbraw/zinc/24/64/27/1019246427.db2.gz XOEMLTXRELIXOQ-UHFFFAOYSA-N -1 0 307.246 -0.819 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCC(=O)NCc2ccccc2)nn1 ZINC001574737680 1019247038 /nfs/dbraw/zinc/24/70/38/1019247038.db2.gz ALFXDFIVJVQLMX-UHFFFAOYSA-N -1 0 317.305 -0.591 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCCOCC2CC2)CCO1 ZINC001608698698 1019246782 /nfs/dbraw/zinc/24/67/82/1019246782.db2.gz LTXSJQXYXOYIRR-LLVKDONJSA-N -1 0 314.338 -0.769 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)NC1(C(=O)[O-])CCC1 ZINC001574739806 1019247671 /nfs/dbraw/zinc/24/76/71/1019247671.db2.gz IZTVTMPGKVGMAM-UHFFFAOYSA-N -1 0 313.335 -0.074 20 0 DBADRM O=C([O-])CCCC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC001608708827 1019248015 /nfs/dbraw/zinc/24/80/15/1019248015.db2.gz XZZGYMMZNDNEAM-NXEZZACHSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])CCCC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC001608708828 1019248554 /nfs/dbraw/zinc/24/85/54/1019248554.db2.gz XZZGYMMZNDNEAM-UWVGGRQHSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCO[C@H](Cn2ccnn2)C1 ZINC001608718063 1019249985 /nfs/dbraw/zinc/24/99/85/1019249985.db2.gz RZELGTGCSCXHAC-SNVBAGLBSA-N -1 0 318.355 -0.827 20 0 DBADRM O=C([O-])CCCCNC(=O)NCCS(=O)(=O)NC1CC1 ZINC001608713046 1019250491 /nfs/dbraw/zinc/25/04/91/1019250491.db2.gz SQXOLHCZCIGPBE-UHFFFAOYSA-N -1 0 307.372 -0.378 20 0 DBADRM O=C([O-])CCN(Cc1ccncc1)C(=O)CN1CCNCC1=O ZINC001608722679 1019250938 /nfs/dbraw/zinc/25/09/38/1019250938.db2.gz ZCDHWCVGLUOGBI-UHFFFAOYSA-N -1 0 320.349 -0.683 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](OC(=O)[C@H]2CCNC(=O)C2)C1=O ZINC001608725942 1019251821 /nfs/dbraw/zinc/25/18/21/1019251821.db2.gz XHVOCAAYAQOIJB-VHSXEESVSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)CS(=O)(=O)C2CC2)C1=O ZINC001608724856 1019251835 /nfs/dbraw/zinc/25/18/35/1019251835.db2.gz XXMKHKFNIISUBV-SECBINFHSA-N -1 0 319.335 -0.818 20 0 DBADRM O=C([O-])CCN1CCC[C@H](OC(=O)[C@H]2CCNC(=O)C2)C1=O ZINC001608725941 1019252191 /nfs/dbraw/zinc/25/21/91/1019252191.db2.gz XHVOCAAYAQOIJB-UWVGGRQHSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@H]1CCCn2ncnc21 ZINC001608727203 1019252624 /nfs/dbraw/zinc/25/26/24/1019252624.db2.gz IMSZEDMZWMLTTA-VIFPVBQESA-N -1 0 309.326 -0.747 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCO[C@@H](CCF)C1 ZINC001608727208 1019254124 /nfs/dbraw/zinc/25/41/24/1019254124.db2.gz IORHFDTWAQFCOR-JTQLQIEISA-N -1 0 319.333 -0.263 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)COC2CCOCC2)C1=O ZINC001608723965 1019254295 /nfs/dbraw/zinc/25/42/95/1019254295.db2.gz CGSVMLKJXDWWHK-LLVKDONJSA-N -1 0 315.322 -0.199 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CCN(C(=O)C3CC3)CC2)C1=O ZINC001608723435 1019254758 /nfs/dbraw/zinc/25/47/58/1019254758.db2.gz PKCCGSGSLYVCSF-LBPRGKRZSA-N -1 0 309.366 -0.384 20 0 DBADRM O=C([O-])CCNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@H](C3)N2C1=O ZINC001608726947 1019254867 /nfs/dbraw/zinc/25/48/67/1019254867.db2.gz XHBFERCGPMROGC-SBMIAAHKSA-N -1 0 309.322 -0.218 20 0 DBADRM O=C([O-])CCSCCNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001608733302 1019256028 /nfs/dbraw/zinc/25/60/28/1019256028.db2.gz TWVNHXJWGWOSPL-UHFFFAOYSA-N -1 0 322.350 -0.005 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cnc(C2CC2)[nH]c1=O ZINC001608728572 1019256735 /nfs/dbraw/zinc/25/67/35/1019256735.db2.gz LYZWFMLMAGPBPU-UHFFFAOYSA-N -1 0 322.321 -0.230 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCCN2CCNC2=S)O1 ZINC001608736258 1019257114 /nfs/dbraw/zinc/25/71/14/1019257114.db2.gz DTMUEPWTASTGRZ-VHSXEESVSA-N -1 0 315.395 -0.295 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cc2n(n1)CCCO2 ZINC001608728432 1019257260 /nfs/dbraw/zinc/25/72/60/1019257260.db2.gz FCPJVSHHHNIHEJ-UHFFFAOYSA-N -1 0 310.310 -0.624 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1ccc2nonc2c1 ZINC001608728779 1019257416 /nfs/dbraw/zinc/25/74/16/1019257416.db2.gz VCFABKDNJMABQG-UHFFFAOYSA-N -1 0 306.278 -0.066 20 0 DBADRM O=C([O-])CCSCCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001608733313 1019257449 /nfs/dbraw/zinc/25/74/49/1019257449.db2.gz URBPXNOHBMMRKX-SECBINFHSA-N -1 0 313.383 -0.050 20 0 DBADRM COCC(=O)NCCNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001574806994 1019259038 /nfs/dbraw/zinc/25/90/38/1019259038.db2.gz KZPAHGQVESCOQM-UHFFFAOYSA-N -1 0 312.370 -0.746 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])[nH]2)C1 ZINC001574804660 1019259934 /nfs/dbraw/zinc/25/99/34/1019259934.db2.gz CQKBRABJYOGFSM-SSDOTTSWSA-N -1 0 301.324 -0.537 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCc2nccn2C1 ZINC001608750045 1019261253 /nfs/dbraw/zinc/26/12/53/1019261253.db2.gz CZPRYHDXCVIDAZ-GHMZBOCLSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])CN(C(=O)[C@H]1CCC2N=NC(=O)N2C1)C1CCOCC1 ZINC001608742899 1019261325 /nfs/dbraw/zinc/26/13/25/1019261325.db2.gz LJEBAEWPXFKLKP-VIFPVBQESA-N -1 0 324.337 -0.362 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1csc(CO)n1 ZINC001608750369 1019261619 /nfs/dbraw/zinc/26/16/19/1019261619.db2.gz DDOSDTKFLMUMCV-MRVPVSSYSA-N -1 0 313.335 -0.559 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cc(F)c[nH]c1=O ZINC001608751290 1019263418 /nfs/dbraw/zinc/26/34/18/1019263418.db2.gz XDEXNFRDCJCRML-VIFPVBQESA-N -1 0 311.269 -0.268 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1S(=O)(=O)CC1(F)CC1 ZINC001608750945 1019263481 /nfs/dbraw/zinc/26/34/81/1019263481.db2.gz KJMPRKFWIWIGRR-MRVPVSSYSA-N -1 0 308.331 -0.517 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC001608752377 1019263832 /nfs/dbraw/zinc/26/38/32/1019263832.db2.gz PANLDZRDUJLXPG-VHSXEESVSA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc2c(c1)SCC(=O)N2 ZINC001608752723 1019263990 /nfs/dbraw/zinc/26/39/90/1019263990.db2.gz LWTTVQLAHNTFKR-UHFFFAOYSA-N -1 0 323.330 -0.339 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1CC[S@](=O)C(F)(F)F ZINC001608751645 1019264325 /nfs/dbraw/zinc/26/43/25/1019264325.db2.gz VLIMNOUWYWOYSI-GLEHDBDLSA-N -1 0 316.301 -0.080 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1CC[S@@](=O)C(F)(F)F ZINC001608751648 1019264572 /nfs/dbraw/zinc/26/45/72/1019264572.db2.gz VLIMNOUWYWOYSI-SVWIBVJCSA-N -1 0 316.301 -0.080 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)C[C@H](O)C(Cl)(Cl)Cl ZINC001608752359 1019264594 /nfs/dbraw/zinc/26/45/94/1019264594.db2.gz YFOPJWKOZDRQEV-BYPYZUCNSA-N -1 0 321.544 -0.575 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H]1COc2ccc(F)cc2C1 ZINC001608752130 1019265142 /nfs/dbraw/zinc/26/51/42/1019265142.db2.gz LPLHMMQTZCTUGW-VIFPVBQESA-N -1 0 310.281 -0.306 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(c2cccc(F)c2)C(=O)C1 ZINC001608752257 1019265403 /nfs/dbraw/zinc/26/54/03/1019265403.db2.gz TUWHDWWZSXCMEK-UHFFFAOYSA-N -1 0 309.297 -0.325 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC([C@@H]2COC(=O)N2)CC1 ZINC001608757399 1019266207 /nfs/dbraw/zinc/26/62/07/1019266207.db2.gz YEEOBECLSDRSSD-JTQLQIEISA-N -1 0 315.326 -0.382 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(N2CCOC2=O)cc1 ZINC001608752808 1019267904 /nfs/dbraw/zinc/26/79/04/1019267904.db2.gz RJVWQVBBVUUSFP-UHFFFAOYSA-N -1 0 321.289 -0.426 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1ccc2c(c1)CCNC2=O ZINC001608753176 1019267973 /nfs/dbraw/zinc/26/79/73/1019267973.db2.gz OUWZFKCQWQYNNW-UHFFFAOYSA-N -1 0 320.305 -0.705 20 0 DBADRM O=C([O-])CNC(=O)CS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001608753413 1019268279 /nfs/dbraw/zinc/26/82/79/1019268279.db2.gz JAPTVNIJVOODOO-UHFFFAOYSA-N -1 0 315.303 -0.568 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001608753137 1019268510 /nfs/dbraw/zinc/26/85/10/1019268510.db2.gz LZBVIRBIZZOBBB-UHFFFAOYSA-N -1 0 321.211 -0.263 20 0 DBADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)NC[C@H](O)Cn1ccnn1 ZINC001608770603 1019271490 /nfs/dbraw/zinc/27/14/90/1019271490.db2.gz LTEQDKANCJTGOU-GARJFASQSA-N -1 0 311.342 -0.418 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]2O)cc1 ZINC001608759816 1019271552 /nfs/dbraw/zinc/27/15/52/1019271552.db2.gz CCRYNSWBSPIHCA-GHMZBOCLSA-N -1 0 308.290 -0.272 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)C1 ZINC001608771709 1019271857 /nfs/dbraw/zinc/27/18/57/1019271857.db2.gz IRMGXVCXBMUVHG-DZHLUBAWSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@@H]2CC(c3ccccn3)=NO2)n[nH]1 ZINC001608793467 1019274900 /nfs/dbraw/zinc/27/49/00/1019274900.db2.gz VWNZUBFWQUFXBX-VIFPVBQESA-N -1 0 316.277 -0.042 20 0 DBADRM O=C([O-])Cn1cc(CC[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)nn1 ZINC001608796325 1019275626 /nfs/dbraw/zinc/27/56/26/1019275626.db2.gz PLDZQYARXWEHPA-SECBINFHSA-N -1 0 321.341 -0.392 20 0 DBADRM O=C([O-])Cc1occc1C(=O)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001608793821 1019275713 /nfs/dbraw/zinc/27/57/13/1019275713.db2.gz QNURIAIMMKRIFZ-MRVPVSSYSA-N -1 0 308.290 -0.770 20 0 DBADRM O=C([O-])Cc1occc1C(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001608793974 1019276082 /nfs/dbraw/zinc/27/60/82/1019276082.db2.gz YWYSHOCFQPOCHD-OAHLLOKOSA-N -1 0 324.333 -0.574 20 0 DBADRM O=C([O-])Cn1cc(CN2CCC(N3CCCC3=O)CC2)nn1 ZINC001608796926 1019276149 /nfs/dbraw/zinc/27/61/49/1019276149.db2.gz BWRQDMKTZRMHTN-UHFFFAOYSA-N -1 0 307.354 -0.051 20 0 DBADRM O=C([O-])Cn1cc(CCN2CCOC[C@@H]2[C@@H]2CCCC2=O)nn1 ZINC001608796608 1019276360 /nfs/dbraw/zinc/27/63/60/1019276360.db2.gz HDODJYMSMVJBJO-QWHCGFSZSA-N -1 0 322.365 -0.025 20 0 DBADRM O=C([O-])Cn1cc(CN2CC[C@H](Nc3ncccn3)C2)nn1 ZINC001608797269 1019276882 /nfs/dbraw/zinc/27/68/82/1019276882.db2.gz YPYHMYXYISOJBR-JTQLQIEISA-N -1 0 303.326 -0.161 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N(CCO)C2CCC2)C[C@H]1C1CC1 ZINC001608806056 1019278008 /nfs/dbraw/zinc/27/80/08/1019278008.db2.gz XQNFBJBRWZVPPE-QWHCGFSZSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC001608803666 1019278229 /nfs/dbraw/zinc/27/82/29/1019278229.db2.gz HQOOVXUVFLHNTG-ZJUUUORDSA-N -1 0 320.367 -0.477 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001608801771 1019278849 /nfs/dbraw/zinc/27/88/49/1019278849.db2.gz VCFRMXLUGJKCBK-YFKPBYRVSA-N -1 0 321.698 -0.400 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N2CCS(=O)(=O)CC2)C[C@H]1C1CC1 ZINC001608806732 1019279363 /nfs/dbraw/zinc/27/93/63/1019279363.db2.gz ALCZFPFRPKIUMJ-WDEREUQCSA-N -1 0 316.379 -0.121 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1COc2ccc(O)cc2O1 ZINC001608810351 1019280911 /nfs/dbraw/zinc/28/09/11/1019280911.db2.gz UHFATHZROHXPAJ-VDDIYKPWSA-N -1 0 309.274 -0.422 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N([C@H]2CC(=O)N(CC3CC3)C2)C1=O ZINC001608814734 1019281370 /nfs/dbraw/zinc/28/13/70/1019281370.db2.gz ZRVJTUSUNPDRSJ-XNDJQWLSSA-N -1 0 321.333 -0.362 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)NCC3CCS(=O)(=O)CC3)C[C@@H]21 ZINC001608816380 1019282341 /nfs/dbraw/zinc/28/23/41/1019282341.db2.gz IISMWIOVRKCAQK-URLYPYJESA-N -1 0 316.379 -0.217 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001608813426 1019282945 /nfs/dbraw/zinc/28/29/45/1019282945.db2.gz PRUBLMUVVOQLIY-HGNGGELXSA-N -1 0 320.342 -0.424 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001608812613 1019283567 /nfs/dbraw/zinc/28/35/67/1019283567.db2.gz ICCXBGGDJOEADS-XPUUQOCRSA-N -1 0 309.257 -0.905 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CCN1C(=O)CCNC1=S ZINC001608812738 1019283734 /nfs/dbraw/zinc/28/37/34/1019283734.db2.gz SYJVMWOMZIKEJV-YUMQZZPRSA-N -1 0 317.342 -0.493 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC[C@H](CO)[C@@H]2CCOC2)C1 ZINC001608824270 1019284608 /nfs/dbraw/zinc/28/46/08/1019284608.db2.gz ONBAQLIXOAZYAF-DBIOUOCHSA-N -1 0 307.368 -0.586 20 0 DBADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H](CO)CN2CCOCC2)CC1 ZINC001608820446 1019285892 /nfs/dbraw/zinc/28/58/92/1019285892.db2.gz WWNBAIMXQDKEDW-AVGNSLFASA-N -1 0 314.382 -0.313 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccnn1C1CCC1 ZINC001608823829 1019286139 /nfs/dbraw/zinc/28/61/39/1019286139.db2.gz URWRTOGEJNALKP-NXEZZACHSA-N -1 0 315.351 -0.183 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2C[C@H](CO)[C@@H](CCO)C2)C1 ZINC001608823584 1019286773 /nfs/dbraw/zinc/28/67/73/1019286773.db2.gz BUFGXUICGSTVSV-UKKRHICBSA-N -1 0 307.368 -0.898 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H](CO)CC2CCC2)n[nH]1 ZINC001608859631 1019289029 /nfs/dbraw/zinc/28/90/29/1019289029.db2.gz BXWVKQXGYLGPDR-MRVPVSSYSA-N -1 0 303.340 -0.063 20 0 DBADRM O=C([O-])c1cc(NCCN2CCS(=O)(=O)CC2)ncn1 ZINC001608857010 1019289215 /nfs/dbraw/zinc/28/92/15/1019289215.db2.gz FOFBTWPKQMVZAU-UHFFFAOYSA-N -1 0 300.340 -0.683 20 0 DBADRM O=C([O-])c1cc(C2CN(C(=O)NCCNC(=O)C3CC3)C2)[nH]n1 ZINC001608840522 1019289903 /nfs/dbraw/zinc/28/99/03/1019289903.db2.gz XIAXNSBVHXRWFE-UHFFFAOYSA-N -1 0 321.337 -0.257 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H](O)CC(F)(F)C2)n[nH]1 ZINC001608858179 1019290392 /nfs/dbraw/zinc/29/03/92/1019290392.db2.gz YOHGUJXFYSKHKF-YFKPBYRVSA-N -1 0 311.266 -0.502 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCCO1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574875140 1019292413 /nfs/dbraw/zinc/29/24/13/1019292413.db2.gz WPAAIZNATTXYJS-RKDXNWHRSA-N -1 0 318.341 -0.826 20 0 DBADRM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 ZINC001608894096 1019292670 /nfs/dbraw/zinc/29/26/70/1019292670.db2.gz POCNELVNKWHJIX-IUCAKERBSA-N -1 0 321.738 -0.236 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N(CCO)CCCO)cn1 ZINC001608908557 1019293105 /nfs/dbraw/zinc/29/31/05/1019293105.db2.gz HQJYMASNIXOSNJ-UHFFFAOYSA-N -1 0 304.324 -0.855 20 0 DBADRM O=C([O-])c1ccc(F)cc1S(=O)(=O)NCCOCCO ZINC001608897326 1019293936 /nfs/dbraw/zinc/29/39/36/1019293936.db2.gz QUMAOLMELPPNKN-UHFFFAOYSA-N -1 0 307.299 -0.189 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@@]2(CO)COCCN2)s1 ZINC001608874187 1019294323 /nfs/dbraw/zinc/29/43/23/1019294323.db2.gz LOWDJUPLYLRZAI-GFCCVEGCSA-N -1 0 300.336 -0.473 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)c1 ZINC001608951507 1019295963 /nfs/dbraw/zinc/29/59/63/1019295963.db2.gz YMROMYLXZLZZHY-UHFFFAOYSA-N -1 0 316.321 -0.144 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)n1 ZINC001608950201 1019296347 /nfs/dbraw/zinc/29/63/47/1019296347.db2.gz CAGUDKDFGYOMQX-CMPLNLGQSA-N -1 0 322.321 -0.913 20 0 DBADRM O=C([O-])c1ccc2c(c1)CC[C@@H](NC(=O)C1(O)COC1)C(=O)N2 ZINC001608919566 1019296513 /nfs/dbraw/zinc/29/65/13/1019296513.db2.gz XASGEVMYONVXAA-LLVKDONJSA-N -1 0 320.301 -0.484 20 0 DBADRM O=C([O-])c1cccc(C(=O)NC[C@@]23COC(=O)N2CCOC3)n1 ZINC001608929102 1019296574 /nfs/dbraw/zinc/29/65/74/1019296574.db2.gz VFHYIFVEAOAXFV-CQSZACIVSA-N -1 0 321.289 -0.269 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCc2nnnn2C2CC2)cn1 ZINC001608913111 1019296779 /nfs/dbraw/zinc/29/67/79/1019296779.db2.gz IWPPGSYFGBOWPU-UHFFFAOYSA-N -1 0 324.322 -0.420 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC2CC(CO)(CO)C2)o1 ZINC001608911381 1019296796 /nfs/dbraw/zinc/29/67/96/1019296796.db2.gz IUOUCHILJBHKSG-UHFFFAOYSA-N -1 0 305.308 -0.611 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3ccc(CO)nc3)C2)nn1 ZINC001608962126 1019297864 /nfs/dbraw/zinc/29/78/64/1019297864.db2.gz BRZQGJFKFBPHPT-UHFFFAOYSA-N -1 0 303.278 -0.439 20 0 DBADRM O=C([O-])c1ccoc1CN1CCS(=O)(=O)C[C@@H]1CCO ZINC001608955285 1019297889 /nfs/dbraw/zinc/29/78/89/1019297889.db2.gz QOKIZTAOHRRILE-VIFPVBQESA-N -1 0 303.336 -0.041 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(S(=O)(=O)c3c[nH]cn3)C2)nn1 ZINC001608962242 1019298279 /nfs/dbraw/zinc/29/82/79/1019298279.db2.gz ORTRJFQMRNYWHJ-SSDOTTSWSA-N -1 0 312.311 -0.665 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3cn4c(n3)COCC4)C2)nn1 ZINC001608962907 1019298724 /nfs/dbraw/zinc/29/87/24/1019298724.db2.gz JDHGKMNSXTUAMC-UHFFFAOYSA-N -1 0 318.293 -0.600 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)NCc3cnccn3)C2)nn1 ZINC001608960811 1019299201 /nfs/dbraw/zinc/29/92/01/1019299201.db2.gz VZKUQDRIOYGQGA-SNVBAGLBSA-N -1 0 317.309 -0.077 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(CN3C[C@@H]4CCO[C@@H]4C3=O)C2)nn1 ZINC001608961587 1019299927 /nfs/dbraw/zinc/29/99/27/1019299927.db2.gz RNXLLBZBPWONMR-UMNHJUIQSA-N -1 0 321.337 -0.572 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)nn1 ZINC001608959587 1019300121 /nfs/dbraw/zinc/30/01/21/1019300121.db2.gz DRKICYMIOFLTHJ-IUCAKERBSA-N -1 0 307.310 -0.724 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)Cn3cc(Cl)cn3)C2)nn1 ZINC001608962551 1019300500 /nfs/dbraw/zinc/30/05/00/1019300500.db2.gz UGDPOWYBSHBTRY-UHFFFAOYSA-N -1 0 310.701 -0.090 20 0 DBADRM O=C([O-])c1cnc(N2CCCN(C(=O)c3nc[nH]n3)CC2)nc1 ZINC001608975235 1019302273 /nfs/dbraw/zinc/30/22/73/1019302273.db2.gz WLNODIFOQIPGQT-UHFFFAOYSA-N -1 0 317.309 -0.355 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@@]3(CCOC3=O)C2)nn1 ZINC001608963932 1019302338 /nfs/dbraw/zinc/30/23/38/1019302338.db2.gz OXXYANGWEKRROR-CYBMUJFWSA-N -1 0 323.309 -0.675 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCc3n[nH]c(=O)cc3C2)cn1 ZINC001608966026 1019302544 /nfs/dbraw/zinc/30/25/44/1019302544.db2.gz YYYNPFMKVVWEEZ-UHFFFAOYSA-N -1 0 301.262 -0.131 20 0 DBADRM O=C([O-])c1cncc(NC[C@@]23COCCN2C(=O)COC3)n1 ZINC001608981916 1019305520 /nfs/dbraw/zinc/30/55/20/1019305520.db2.gz KPYWLUWXTPMINL-ZDUSSCGKSA-N -1 0 308.294 -0.786 20 0 DBADRM O=C([O-])c1cncnc1NCC1(O)CCS(=O)(=O)CC1 ZINC001608983661 1019305665 /nfs/dbraw/zinc/30/56/65/1019305665.db2.gz WFNGSOCRJYWCSC-UHFFFAOYSA-N -1 0 301.324 -0.474 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)[C@H]2CCOC2)nc1 ZINC001608976682 1019305723 /nfs/dbraw/zinc/30/57/23/1019305723.db2.gz BGUIVINKYZBRCZ-WCBMZHEXSA-N -1 0 310.310 -0.900 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N2CCC[C@@](O)(CO)C2)c1 ZINC001608982565 1019305928 /nfs/dbraw/zinc/30/59/28/1019305928.db2.gz OSQGMFONVRSFSS-LBPRGKRZSA-N -1 0 316.335 -0.712 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CC[C@@H](CN3CCOC3=O)C2)c1 ZINC001608984041 1019306639 /nfs/dbraw/zinc/30/66/39/1019306639.db2.gz PLTCPPXNIGMNCR-SNVBAGLBSA-N -1 0 322.321 -0.118 20 0 DBADRM O=C([O-])c1nccc(N2CCN(C(=O)c3csnn3)CC2)n1 ZINC001608998355 1019307848 /nfs/dbraw/zinc/30/78/48/1019307848.db2.gz KLXNTJFYMIQYPM-UHFFFAOYSA-N -1 0 320.334 -0.011 20 0 DBADRM O=C([O-])c1nccc(NCCN(CCO)C(=O)c2ccon2)n1 ZINC001608999235 1019308529 /nfs/dbraw/zinc/30/85/29/1019308529.db2.gz QZLROGPJBWZFEN-UHFFFAOYSA-N -1 0 321.293 -0.869 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NCCCn1cncn1 ZINC001609005023 1019311420 /nfs/dbraw/zinc/31/14/20/1019311420.db2.gz GAOUWSZIWIEYMK-UHFFFAOYSA-N -1 0 317.352 -0.199 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2cc3n(n2)CCCC3=O)C1 ZINC001609038577 1019315701 /nfs/dbraw/zinc/31/57/01/1019315701.db2.gz LEDCENNBOCGWPK-DTWKUNHWSA-N -1 0 307.306 -0.233 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)nn1 ZINC001609038060 1019316888 /nfs/dbraw/zinc/31/68/88/1019316888.db2.gz ONIWAYICQPAWHY-ZJUUUORDSA-N -1 0 321.337 -0.192 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001609036507 1019317016 /nfs/dbraw/zinc/31/70/16/1019317016.db2.gz WQSRJCFVOSAAAN-YUMQZZPRSA-N -1 0 320.305 -0.415 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCNC(=O)CC2)n[nH]1 ZINC001609037391 1019317602 /nfs/dbraw/zinc/31/76/02/1019317602.db2.gz VEFAJMODDYHIIT-ZCFIWIBFSA-N -1 0 302.312 -0.945 20 0 DBADRM O=C([O-])C(F)=C(Nc1cccnc1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001609043404 1019318219 /nfs/dbraw/zinc/31/82/19/1019318219.db2.gz FMUDRIBZHGFEGL-SSDOTTSWSA-N -1 0 324.293 -0.299 20 0 DBADRM O=C([O-])c1cscc1C(=O)OCC(=O)N1CCNC(=O)C1 ZINC001609040758 1019319008 /nfs/dbraw/zinc/31/90/08/1019319008.db2.gz WVLAGSDADPKSIW-UHFFFAOYSA-N -1 0 312.303 -0.439 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCCN2C(=O)CSC2=O)C1 ZINC001609042637 1019319866 /nfs/dbraw/zinc/31/98/66/1019319866.db2.gz RFTTYBHEPJYQFK-KNVOCYPGSA-N -1 0 322.364 -0.536 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC001609043444 1019320021 /nfs/dbraw/zinc/32/00/21/1019320021.db2.gz GLRZUJCZDSSNBJ-WDSKDSINSA-N -1 0 310.228 -0.899 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(C(=O)C(=O)N1CCCNC(=O)C1)CC2 ZINC001609040321 1019320098 /nfs/dbraw/zinc/32/00/98/1019320098.db2.gz DQVYURGLSBVKNR-SNVBAGLBSA-N -1 0 323.349 -0.952 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)n1 ZINC001609040791 1019320299 /nfs/dbraw/zinc/32/02/99/1019320299.db2.gz YIRFAKMTLWPSRF-MWLCHTKSSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N1CC2(C1)CCNC(=O)O2 ZINC001609045126 1019322171 /nfs/dbraw/zinc/32/21/71/1019322171.db2.gz KLUSBEOLYDBGSA-UHFFFAOYSA-N -1 0 316.291 -0.149 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)[C@@H]([C@@H]2CCCO2)C1 ZINC001609046063 1019322376 /nfs/dbraw/zinc/32/23/76/1019322376.db2.gz YNYQZFPHYJZSPJ-ZDCRXTMVSA-N -1 0 312.322 -0.034 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCN3C(=O)OCC[C@@H]3C2)CCC1 ZINC001609047274 1019322471 /nfs/dbraw/zinc/32/24/71/1019322471.db2.gz TVTAPRFKGGZGHM-SECBINFHSA-N -1 0 318.351 -0.150 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)n1 ZINC001609046041 1019322917 /nfs/dbraw/zinc/32/29/17/1019322917.db2.gz XYCNQMKSKQJQSF-BDAKNGLRSA-N -1 0 308.294 -0.671 20 0 DBADRM C[C@H](C(=O)N1CCOC[C@@H]1C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609067866 1019324810 /nfs/dbraw/zinc/32/48/10/1019324810.db2.gz AJIZLBHYVPOYGA-PSASIEDQSA-N -1 0 318.341 -0.343 20 0 DBADRM C[C@H](C(=O)N(C)Cc1cnn(C)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068801 1019329316 /nfs/dbraw/zinc/32/93/16/1019329316.db2.gz XEFOHAVJWHJIAH-MRVPVSSYSA-N -1 0 316.329 -0.589 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCSC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609070654 1019329418 /nfs/dbraw/zinc/32/94/18/1019329418.db2.gz OWTZNDQMPWWIPA-JGVFFNPUSA-N -1 0 308.371 -0.112 20 0 DBADRM C[C@H](C(=O)N1CCOCC1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001609069442 1019329761 /nfs/dbraw/zinc/32/97/61/1019329761.db2.gz YGXMQDACNGZKAL-MRVPVSSYSA-N -1 0 306.330 -0.343 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCO[C@H](CN3CCOCC3)C2)[nH]1 ZINC001574965391 1019330397 /nfs/dbraw/zinc/33/03/97/1019330397.db2.gz UEKWJOJKONQEOQ-LLVKDONJSA-N -1 0 323.349 -0.114 20 0 DBADRM C[C@@H](C(=O)N(C)Cc1cnn(C)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068802 1019331146 /nfs/dbraw/zinc/33/11/46/1019331146.db2.gz XEFOHAVJWHJIAH-QMMMGPOBSA-N -1 0 316.329 -0.589 20 0 DBADRM C[C@@H](C(=O)N[C@@](C)(CO)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068504 1019332215 /nfs/dbraw/zinc/33/22/15/1019332215.db2.gz KGRJRUDOFFPSSW-MADCSZMMSA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@@H](C(=O)N1CCN(C2CC2)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609069177 1019334865 /nfs/dbraw/zinc/33/48/65/1019334865.db2.gz SHAIBYBFWZSRIE-VIFPVBQESA-N -1 0 317.357 -0.674 20 0 DBADRM C[C@H](C1CC1)N(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001609108785 1019339858 /nfs/dbraw/zinc/33/98/58/1019339858.db2.gz VNNFEAQNVZLCQT-SSDOTTSWSA-N -1 0 305.342 -0.501 20 0 DBADRM CC(C)CS(=O)(=O)[N-]C(=O)c1cccc(-c2nn[nH]n2)n1 ZINC001609096949 1019340300 /nfs/dbraw/zinc/34/03/00/1019340300.db2.gz MEUHNAQJAQJPRB-UHFFFAOYSA-N -1 0 310.339 -0.023 20 0 DBADRM C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609115251 1019341906 /nfs/dbraw/zinc/34/19/06/1019341906.db2.gz QJFZBTFFQICKLA-YIVBRQOJSA-N -1 0 319.368 -0.495 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001609118632 1019342991 /nfs/dbraw/zinc/34/29/91/1019342991.db2.gz USODGRIZUCBSDK-RKDXNWHRSA-N -1 0 320.357 -0.050 20 0 DBADRM C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001609119805 1019344386 /nfs/dbraw/zinc/34/43/86/1019344386.db2.gz LFGOQQUGNZZNIS-ZETCQYMHSA-N -1 0 302.302 -0.931 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609116230 1019347417 /nfs/dbraw/zinc/34/74/17/1019347417.db2.gz DNDNCSBVBYQQAW-BDAKNGLRSA-N -1 0 316.329 -0.579 20 0 DBADRM C[C@H](OCC1CC1)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609133045 1019348957 /nfs/dbraw/zinc/34/89/57/1019348957.db2.gz QTBSKZWISOKRGN-QMMMGPOBSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@H](C(=O)O[C@@H](C)C(=O)N(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001609130860 1019349598 /nfs/dbraw/zinc/34/95/98/1019349598.db2.gz XPDFILLWRUJLNC-RQJHMYQMSA-N -1 0 308.302 -0.961 20 0 DBADRM CC(C)N(C[C@H](C)O)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609129538 1019350584 /nfs/dbraw/zinc/35/05/84/1019350584.db2.gz SHPQMWIVVPYASP-VIFPVBQESA-N -1 0 323.361 -0.741 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001609127811 1019352436 /nfs/dbraw/zinc/35/24/36/1019352436.db2.gz XHDLZQDPVMDDQF-NSHDSACASA-N -1 0 313.339 -0.101 20 0 DBADRM C/C=C(/C)C(=O)NCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001575006998 1019356644 /nfs/dbraw/zinc/35/66/44/1019356644.db2.gz HNJHDGIQBWQTJE-OQFOIZHKSA-N -1 0 311.342 -0.332 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CCn2cnc(-c3nnn[n-]3)n2)C1=O ZINC001609148543 1019359802 /nfs/dbraw/zinc/35/98/02/1019359802.db2.gz AWVNLPWXMWFABI-GFCCVEGCSA-N -1 0 317.313 -0.821 20 0 DBADRM C[C@H](c1nc(-c2ncccn2)no1)n1cnc(-c2nnn[n-]2)n1 ZINC001609142261 1019360079 /nfs/dbraw/zinc/36/00/79/1019360079.db2.gz RCNQVDFJLCBORL-ZCFIWIBFSA-N -1 0 311.269 -0.093 20 0 DBADRM CCn1nc(C)c(C(=O)NCCNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001575027911 1019362071 /nfs/dbraw/zinc/36/20/71/1019362071.db2.gz ZTAYKEVPUYECJJ-UHFFFAOYSA-N -1 0 321.341 -0.497 20 0 DBADRM COc1cccc(C(=O)NCCNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001575027890 1019363461 /nfs/dbraw/zinc/36/34/61/1019363461.db2.gz ZBDMMUNJTYVKRI-UHFFFAOYSA-N -1 0 319.321 -0.013 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C[C@H](CO)O1 ZINC001609171726 1019365615 /nfs/dbraw/zinc/36/56/15/1019365615.db2.gz KLENWPNXNJDZTE-WCBMZHEXSA-N -1 0 319.321 -0.206 20 0 DBADRM CC[C@H](C)NC(=O)Cn1c(=O)c(-c2nnn[n-]2)cn(CC)c1=O ZINC001609186926 1019367765 /nfs/dbraw/zinc/36/77/65/1019367765.db2.gz NWELHGAUBIJPOE-QMMMGPOBSA-N -1 0 321.341 -0.875 20 0 DBADRM O=C([O-])[C@@H]1CCCN1C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001575043193 1019371377 /nfs/dbraw/zinc/37/13/77/1019371377.db2.gz KUFJDQABANVOJQ-APPZFPTMSA-N -1 0 309.282 -0.924 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cccc(-c2nn[nH]n2)n1 ZINC001609221106 1019374101 /nfs/dbraw/zinc/37/41/01/1019374101.db2.gz GVJQPFUUMJAFQC-UHFFFAOYSA-N -1 0 311.327 -0.812 20 0 DBADRM CCCCC(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001505612599 1019377201 /nfs/dbraw/zinc/37/72/01/1019377201.db2.gz VGSIUEGFAFORJD-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM CCN(C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)[C@H]1CCOC1 ZINC001609219022 1019379879 /nfs/dbraw/zinc/37/98/79/1019379879.db2.gz QMZFSRHAKGYYIF-BDAKNGLRSA-N -1 0 306.330 -0.343 20 0 DBADRM CCc1nc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)co1 ZINC001609254321 1019389321 /nfs/dbraw/zinc/38/93/21/1019389321.db2.gz XVHUGPXCKKRMFJ-UHFFFAOYSA-N -1 0 303.286 -0.561 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H](OC)C2CC2)c1=O ZINC001609257501 1019389661 /nfs/dbraw/zinc/38/96/61/1019389661.db2.gz AEKMOYVIVRIWQL-SNVBAGLBSA-N -1 0 306.326 -0.365 20 0 DBADRM CN(C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC001609268935 1019397715 /nfs/dbraw/zinc/39/77/15/1019397715.db2.gz QUVGHJUTIJKTII-UHFFFAOYSA-N -1 0 302.341 -0.536 20 0 DBADRM CCCC[C@H](C)C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001575095838 1019406659 /nfs/dbraw/zinc/40/66/59/1019406659.db2.gz SXLNWUBWOFVNFD-VIFPVBQESA-N -1 0 313.358 -0.252 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2CCCO2)c1 ZINC001609301862 1019421492 /nfs/dbraw/zinc/42/14/92/1019421492.db2.gz GIXFZHSEXLEPFD-VIFPVBQESA-N -1 0 305.294 -0.006 20 0 DBADRM COCC(C)(C)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609316035 1019426867 /nfs/dbraw/zinc/42/68/67/1019426867.db2.gz AOEDRVRVVNPJEG-MRVPVSSYSA-N -1 0 308.346 -0.192 20 0 DBADRM COCC1(C)CN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001609318490 1019427832 /nfs/dbraw/zinc/42/78/32/1019427832.db2.gz APCOSLADEYYFFH-UHFFFAOYSA-N -1 0 324.366 -0.081 20 0 DBADRM COC[C@@](C)(O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609317081 1019430614 /nfs/dbraw/zinc/43/06/14/1019430614.db2.gz ZDUGRMKLJBMVGV-JTQLQIEISA-N -1 0 317.327 -0.865 20 0 DBADRM COC[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)OC ZINC001609317829 1019432025 /nfs/dbraw/zinc/43/20/25/1019432025.db2.gz QMVWVCIMGCAUNG-SECBINFHSA-N -1 0 307.310 -0.037 20 0 DBADRM COCCSCCCn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001609329900 1019436302 /nfs/dbraw/zinc/43/63/02/1019436302.db2.gz JAFDMQLRUBOPAN-UHFFFAOYSA-N -1 0 312.355 -0.101 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)NCCCO)cc1-c1nnn[n-]1 ZINC001609371882 1019444717 /nfs/dbraw/zinc/44/47/17/1019444717.db2.gz BTAGQOVYKNJFJK-UHFFFAOYSA-N -1 0 310.339 -0.199 20 0 DBADRM Cc1noc(C)c1C(=O)Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001609462126 1019466272 /nfs/dbraw/zinc/46/62/72/1019466272.db2.gz DHOQLPVUQZIVCJ-UHFFFAOYSA-N -1 0 317.265 -0.383 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1n[nH]cc1-c1nn[nH]n1 ZINC001609458814 1019468191 /nfs/dbraw/zinc/46/81/91/1019468191.db2.gz WJBOCMSDLHGZDP-UHFFFAOYSA-N -1 0 323.342 -0.259 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccc(F)cn2)c1=O ZINC001609477427 1019475266 /nfs/dbraw/zinc/47/52/66/1019475266.db2.gz WAHNCMYHSRGBPL-UHFFFAOYSA-N -1 0 303.257 -0.691 20 0 DBADRM O=C(N[C@@]1(CCO)CCOC1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609539485 1019500165 /nfs/dbraw/zinc/50/01/65/1019500165.db2.gz HRKOZCYGRAIWSP-AWEZNQCLSA-N -1 0 319.321 -0.156 20 0 DBADRM O=C(COc1cnc(-c2nnn[n-]2)nc1)NC(=O)NC1CC1 ZINC001609533823 1019502902 /nfs/dbraw/zinc/50/29/02/1019502902.db2.gz YOWZVMAALDECFU-UHFFFAOYSA-N -1 0 304.270 -0.976 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001609551389 1019511275 /nfs/dbraw/zinc/51/12/75/1019511275.db2.gz CCEPOIYAGPWJRP-AYMMMOKOSA-N -1 0 303.330 -0.444 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cscc1-c1nn[nH]n1 ZINC001609551428 1019514721 /nfs/dbraw/zinc/51/47/21/1019514721.db2.gz IUDCAOSUPNCSOC-UHFFFAOYSA-N -1 0 307.295 -0.423 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)OCC(=O)NCCC(=O)[O-])C1 ZINC001609591416 1019523711 /nfs/dbraw/zinc/52/37/11/1019523711.db2.gz ZEFAZFRFQHQLEZ-JTQLQIEISA-N -1 0 300.311 -0.621 20 0 DBADRM O=S(=O)([N-]c1nnc[nH]1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC001609596580 1019528455 /nfs/dbraw/zinc/52/84/55/1019528455.db2.gz VISHMJPUYMPEEE-UHFFFAOYSA-N -1 0 310.274 -0.075 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCCC(=O)[O-])CC1 ZINC001609599290 1019529168 /nfs/dbraw/zinc/52/91/68/1019529168.db2.gz QJDAFYIADOPITB-SNVBAGLBSA-N -1 0 314.338 -0.136 20 0 DBADRM C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)nc1)C1N=NC(=O)N1C ZINC001575325270 1019530265 /nfs/dbraw/zinc/53/02/65/1019530265.db2.gz CNKIVSSZOKAYKE-LURJTMIESA-N -1 0 315.297 -0.413 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001609619866 1019532853 /nfs/dbraw/zinc/53/28/53/1019532853.db2.gz BVOJOKYIMXUTMQ-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001609622421 1019533489 /nfs/dbraw/zinc/53/34/89/1019533489.db2.gz WCJLNSMAGVPJBS-TUAOUCFPSA-N -1 0 300.355 -0.169 20 0 DBADRM CC(=O)NC[C@H]1CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CCO1 ZINC001609621461 1019535679 /nfs/dbraw/zinc/53/56/79/1019535679.db2.gz IZMGGKOZORFLHV-AAEUAGOBSA-N -1 0 315.370 -0.951 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N1CC(C)(C(=O)[O-])C1)n1cccn1 ZINC001609631738 1019538526 /nfs/dbraw/zinc/53/85/26/1019538526.db2.gz NDVOMYDKKSDQMZ-SNVBAGLBSA-N -1 0 308.338 -0.164 20 0 DBADRM CC(=O)c1cccc(OC[C@H](O)Cn2nnc(CC(=O)[O-])n2)c1 ZINC001609630275 1019538979 /nfs/dbraw/zinc/53/89/79/1019538979.db2.gz XMUPBVVCFXKMBC-LLVKDONJSA-N -1 0 320.305 -0.057 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001609626611 1019539198 /nfs/dbraw/zinc/53/91/98/1019539198.db2.gz LSLYZDXYZGRYJP-JTQLQIEISA-N -1 0 309.340 -0.555 20 0 DBADRM C[C@H](C(=O)N[C@@]1(CC(=O)[O-])CCCOC1)N1CCN(C)CC1 ZINC001609634785 1019540376 /nfs/dbraw/zinc/54/03/76/1019540376.db2.gz NBOXLOXWAVDZAG-IUODEOHRSA-N -1 0 313.398 -0.238 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC001609635522 1019541864 /nfs/dbraw/zinc/54/18/64/1019541864.db2.gz ZRPFZLDHIASXKN-NXEZZACHSA-N -1 0 306.384 -0.668 20 0 DBADRM CC(=O)Nc1ccc(CNC(=O)C(=O)NCCC(=O)[O-])cn1 ZINC001609676031 1019544456 /nfs/dbraw/zinc/54/44/56/1019544456.db2.gz BTHZHKIYTMXEFO-UHFFFAOYSA-N -1 0 308.294 -0.753 20 0 DBADRM CC(C)(CC(=O)[O-])CC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC001609673310 1019544625 /nfs/dbraw/zinc/54/46/25/1019544625.db2.gz DZUSZDKGGPTYQD-UHFFFAOYSA-N -1 0 321.395 -0.067 20 0 DBADRM CC(C)(CNC(=O)Cn1cc(C(=O)[O-])nn1)[C@]1(O)CCOC1 ZINC001609675694 1019544844 /nfs/dbraw/zinc/54/48/44/1019544844.db2.gz FXBMBCDZPLBCJR-ZDUSSCGKSA-N -1 0 312.326 -0.730 20 0 DBADRM CC(C)(CC(=O)[O-])C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001609673020 1019545689 /nfs/dbraw/zinc/54/56/89/1019545689.db2.gz FFUAAXMGMZMOFR-MRVPVSSYSA-N -1 0 321.351 -0.666 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001609665330 1019545730 /nfs/dbraw/zinc/54/57/30/1019545730.db2.gz APAQRLHWFZXNAP-UHFFFAOYSA-N -1 0 313.314 -0.383 20 0 DBADRM CC(C)(CCCO)CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001609674301 1019545749 /nfs/dbraw/zinc/54/57/49/1019545749.db2.gz JWVJPONPTDNLBP-AOOOYVTPSA-N -1 0 300.355 -0.119 20 0 DBADRM CC(C)(C)OC(=O)N1CC(C)(C(=O)N[C@H](CO)C(=O)[O-])C1 ZINC001609659962 1019545862 /nfs/dbraw/zinc/54/58/62/1019545862.db2.gz SFVPXVKEDZVGPR-MRVPVSSYSA-N -1 0 302.327 -0.195 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCN2C(=O)NC[C@H]2C1)C(=O)[O-] ZINC001609676717 1019546780 /nfs/dbraw/zinc/54/67/80/1019546780.db2.gz DOGFDZXMXCZJGA-QMMMGPOBSA-N -1 0 305.356 -0.864 20 0 DBADRM CC(C)(CS(C)(=O)=O)NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001609678612 1019547644 /nfs/dbraw/zinc/54/76/44/1019547644.db2.gz VSGGCNDKDJEGCG-UHFFFAOYSA-N -1 0 301.324 -0.272 20 0 DBADRM CC(C)(CS(=O)(=O)NCCNc1cnccn1)C(=O)[O-] ZINC001609678093 1019547832 /nfs/dbraw/zinc/54/78/32/1019547832.db2.gz ROXOICRAJNDDSR-UHFFFAOYSA-N -1 0 302.356 -0.081 20 0 DBADRM CC(C)(O)CNC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001609681330 1019547892 /nfs/dbraw/zinc/54/78/92/1019547892.db2.gz BHJUORDQDJIBLZ-UHFFFAOYSA-N -1 0 324.289 -0.061 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001609690507 1019547926 /nfs/dbraw/zinc/54/79/26/1019547926.db2.gz GDMWKWNZYSJHKK-MFKMUULPSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001609690502 1019548615 /nfs/dbraw/zinc/54/86/15/1019548615.db2.gz GDMWKWNZYSJHKK-GWCFXTLKSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCO[C@H]([C@H](C)O)C1)C(=O)[O-] ZINC001609694065 1019550542 /nfs/dbraw/zinc/55/05/42/1019550542.db2.gz MXOMQQNVJMROOJ-SRVKXCTJSA-N -1 0 302.371 -0.317 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)OCC(=O)N1CCN(c2cnccn2)CC1 ZINC001609706601 1019551375 /nfs/dbraw/zinc/55/13/75/1019551375.db2.gz ZMBIBRLRFIAOHQ-SNVBAGLBSA-N -1 0 322.321 -0.611 20 0 DBADRM CC(C)CN(CCC(=O)[O-])C(=O)CN1CCS(=O)(=O)CC1 ZINC001609698438 1019551454 /nfs/dbraw/zinc/55/14/54/1019551454.db2.gz FMGLFGIHJHJSTJ-UHFFFAOYSA-N -1 0 320.411 -0.324 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC001609707103 1019551813 /nfs/dbraw/zinc/55/18/13/1019551813.db2.gz KTYGDEODNSIYGR-UHFFFAOYSA-N -1 0 323.393 -0.090 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)CC1OCCO1)C(=O)[O-] ZINC001609702032 1019552185 /nfs/dbraw/zinc/55/21/85/1019552185.db2.gz CWYSXZOPJAXTGN-VIFPVBQESA-N -1 0 302.327 -0.519 20 0 DBADRM CC(C)n1ccc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)n1 ZINC001609724460 1019554076 /nfs/dbraw/zinc/55/40/76/1019554076.db2.gz RRVBYOYOEFFYOD-UHFFFAOYSA-N -1 0 324.337 -0.159 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1 ZINC001609723937 1019554673 /nfs/dbraw/zinc/55/46/73/1019554673.db2.gz DSNQHXRIPIHTQB-NXEZZACHSA-N -1 0 317.367 -0.080 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC(NC(N)=O)CC1)C(=O)[O-] ZINC001609716265 1019555604 /nfs/dbraw/zinc/55/56/04/1019555604.db2.gz BOOOQUSXRASEHM-NSHDSACASA-N -1 0 300.359 -0.656 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)C(=O)c1cnn(C)c1)C(=O)[O-] ZINC001609716664 1019556680 /nfs/dbraw/zinc/55/66/80/1019556680.db2.gz QBRLXLZTJGOOKP-JTQLQIEISA-N -1 0 311.294 -0.629 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@H]1CCC(=O)N1C)C(=O)[O-] ZINC001609716742 1019556697 /nfs/dbraw/zinc/55/66/97/1019556697.db2.gz SMQNZUVDFDUROM-KCJUWKMLSA-N -1 0 300.311 -0.624 20 0 DBADRM C[C@H](CS(=O)(=O)NC(C)(C)CS(C)(=O)=O)C(=O)[O-] ZINC001609751285 1019558348 /nfs/dbraw/zinc/55/83/48/1019558348.db2.gz WWPSSDFLUPRGBN-SSDOTTSWSA-N -1 0 301.386 -0.550 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001609748179 1019557561 /nfs/dbraw/zinc/55/75/61/1019557561.db2.gz MVHPAYLPQVIVMM-QSYWSZNGSA-N -1 0 318.395 -0.371 20 0 DBADRM C[C@H](CN(C)S(=O)(=O)CCCN1CCOCC1)C(=O)[O-] ZINC001609741490 1019557847 /nfs/dbraw/zinc/55/78/47/1019557847.db2.gz HCIBMVSPAIKFSP-LLVKDONJSA-N -1 0 308.400 -0.309 20 0 DBADRM C[C@H](CS(C)(=O)=O)NS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001609748682 1019557974 /nfs/dbraw/zinc/55/79/74/1019557974.db2.gz VBRCZCKWOWSXLZ-MRVPVSSYSA-N -1 0 313.397 -0.406 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001609747719 1019558131 /nfs/dbraw/zinc/55/81/31/1019558131.db2.gz HFZXCKUDOGASHG-JLTPVHFHSA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@H](Cc1ccco1)NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001609749102 1019558780 /nfs/dbraw/zinc/55/87/80/1019558780.db2.gz APKGWADVLRDAHL-OUAUKWLOSA-N -1 0 324.333 -0.379 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)C(=O)NCCF ZINC001609783740 1019561202 /nfs/dbraw/zinc/56/12/02/1019561202.db2.gz XJZCEGDBVBSILA-SSDOTTSWSA-N -1 0 319.314 -0.468 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccc[nH]1 ZINC001609756291 1019561302 /nfs/dbraw/zinc/56/13/02/1019561302.db2.gz CINOGBCUFVKXFB-UWVGGRQHSA-N -1 0 309.322 -0.106 20 0 DBADRM C[C@@](O)(CNC(=O)C1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC001609785351 1019561590 /nfs/dbraw/zinc/56/15/90/1019561590.db2.gz WQWLBNNSMZGKRI-CQSZACIVSA-N -1 0 308.338 -0.355 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C1CCOCC1 ZINC001609758292 1019562245 /nfs/dbraw/zinc/56/22/45/1019562245.db2.gz PIKJLWVHTDKVCD-MRVPVSSYSA-N -1 0 324.337 -0.012 20 0 DBADRM C[C@](O)(CNC(=O)C1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC001609785347 1019562373 /nfs/dbraw/zinc/56/23/73/1019562373.db2.gz WQWLBNNSMZGKRI-AWEZNQCLSA-N -1 0 308.338 -0.355 20 0 DBADRM C[C@](NS(=O)(=O)CCCN1CCOCC1)(C(=O)[O-])C1CC1 ZINC001609780115 1019562652 /nfs/dbraw/zinc/56/26/52/1019562652.db2.gz OJMVUHYHDKSWRI-CYBMUJFWSA-N -1 0 320.411 -0.119 20 0 DBADRM C[C@@](NS(=O)(=O)CCCN1CCOCC1)(C(=O)[O-])C1CC1 ZINC001609780118 1019562975 /nfs/dbraw/zinc/56/29/75/1019562975.db2.gz OJMVUHYHDKSWRI-ZDUSSCGKSA-N -1 0 320.411 -0.119 20 0 DBADRM CC(C)C(=O)NC1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001609789220 1019563817 /nfs/dbraw/zinc/56/38/17/1019563817.db2.gz FEHIRYQTPYCABO-NSHDSACASA-N -1 0 311.338 -0.021 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001609787439 1019564324 /nfs/dbraw/zinc/56/43/24/1019564324.db2.gz CCJRWWHQPZWSHU-OAHLLOKOSA-N -1 0 308.334 -0.078 20 0 DBADRM C[C@H](O)CC(C)(C)CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001609787867 1019564439 /nfs/dbraw/zinc/56/44/39/1019564439.db2.gz LNROGACMUIVIAD-VHSXEESVSA-N -1 0 316.354 -0.788 20 0 DBADRM C[C@H](O)CN1CCN(S(=O)(=O)CCCC(=O)[O-])[C@H](C)C1 ZINC001609790164 1019564547 /nfs/dbraw/zinc/56/45/47/1019564547.db2.gz CRHUCVDZULNZCS-MNOVXSKESA-N -1 0 308.400 -0.432 20 0 DBADRM C[C@H](OC(=O)C1(C(=O)[O-])CC1)C(=O)N1CCC(C(N)=O)CC1 ZINC001609788719 1019564710 /nfs/dbraw/zinc/56/47/10/1019564710.db2.gz DOOJQRPCMILILZ-QMMMGPOBSA-N -1 0 312.322 -0.493 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001609788809 1019566124 /nfs/dbraw/zinc/56/61/24/1019566124.db2.gz ZCEQZDMKXHLLQA-ZJUUUORDSA-N -1 0 318.395 -0.508 20 0 DBADRM C[C@@H](OC(=O)c1cn(Cc2ccccn2)nn1)C(=O)C(=O)[O-] ZINC001609798632 1019566834 /nfs/dbraw/zinc/56/68/34/1019566834.db2.gz BWOBGJGQUFOZSV-MRVPVSSYSA-N -1 0 304.262 -0.080 20 0 DBADRM C[C@H](OC(=O)c1cnc2n[nH]nc2c1)c1cn(CC(=O)[O-])nn1 ZINC001609799725 1019567525 /nfs/dbraw/zinc/56/75/25/1019567525.db2.gz KCDIPPHHBVAXEG-LURJTMIESA-N -1 0 317.265 -0.053 20 0 DBADRM C[C@@H](OC(=O)c1cc2c(cc1O)OCO2)C(=O)NCC(=O)[O-] ZINC001609795963 1019567622 /nfs/dbraw/zinc/56/76/22/1019567622.db2.gz HFGDRNBGKPRIFE-ZCFIWIBFSA-N -1 0 311.246 -0.133 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCC(=O)[O-])N1CCOCC1 ZINC001609791187 1019567861 /nfs/dbraw/zinc/56/78/61/1019567861.db2.gz OIBOKEHDTWBBLW-LLVKDONJSA-N -1 0 315.370 -0.950 20 0 DBADRM C[C@H](OC(=O)c1cccc(NC(N)=O)c1)C(=O)NCC(=O)[O-] ZINC001609800576 1019568003 /nfs/dbraw/zinc/56/80/03/1019568003.db2.gz LGACYIDHRPSQMP-ZETCQYMHSA-N -1 0 309.278 -0.077 20 0 DBADRM C[C@H](OC(=O)c1cn(Cc2ccccn2)nn1)C(=O)C(=O)[O-] ZINC001609798633 1019568182 /nfs/dbraw/zinc/56/81/82/1019568182.db2.gz BWOBGJGQUFOZSV-QMMMGPOBSA-N -1 0 304.262 -0.080 20 0 DBADRM C[C@H](OC(=O)c1ccc(C(N)=O)s1)C(=O)NCC(=O)[O-] ZINC001609798472 1019568244 /nfs/dbraw/zinc/56/82/44/1019568244.db2.gz OHYWUCSGRRKYOC-YFKPBYRVSA-N -1 0 300.292 -0.407 20 0 DBADRM C[C@@H](O)c1cn(C2CN(C(=O)c3cc(C(=O)[O-])no3)C2)nn1 ZINC001609790966 1019568476 /nfs/dbraw/zinc/56/84/76/1019568476.db2.gz LUQPFTNUFDGLEF-ZCFIWIBFSA-N -1 0 307.266 -0.285 20 0 DBADRM C[C@H](OC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)C(=O)C(=O)[O-] ZINC001609797445 1019568597 /nfs/dbraw/zinc/56/85/97/1019568597.db2.gz GEPTUXRIRBMOGK-QMMMGPOBSA-N -1 0 319.273 -0.230 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCC(F)(F)CN)C1 ZINC001609815230 1019570633 /nfs/dbraw/zinc/57/06/33/1019570633.db2.gz UKSOCYZTMYYMLS-LLVKDONJSA-N -1 0 307.297 -0.590 20 0 DBADRM CC1(C)CCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1 ZINC001609817597 1019570700 /nfs/dbraw/zinc/57/07/00/1019570700.db2.gz BQKDNNXZIDTANR-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM CC1(C)C[C@@H]1CNC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001609815496 1019571727 /nfs/dbraw/zinc/57/17/27/1019571727.db2.gz VJFGJTMAUHVKHB-MNOVXSKESA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001609806439 1019571894 /nfs/dbraw/zinc/57/18/94/1019571894.db2.gz LPZVVGROVVRDBZ-IONNQARKSA-N -1 0 324.366 -0.029 20 0 DBADRM CC1(C(N)=O)CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001609813444 1019572263 /nfs/dbraw/zinc/57/22/63/1019572263.db2.gz WDDUPSTYBCSYCN-UHFFFAOYSA-N -1 0 305.290 -0.343 20 0 DBADRM CC1(C)CN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCO1 ZINC001609816984 1019572370 /nfs/dbraw/zinc/57/23/70/1019572370.db2.gz RNHPSVBNKXFUBF-JTQLQIEISA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@H]1C(=O)NCCN1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001609829639 1019573108 /nfs/dbraw/zinc/57/31/08/1019573108.db2.gz DDDFTDSVZZWXDS-ZETCQYMHSA-N -1 0 312.351 -0.471 20 0 DBADRM CC1(C)C[C@@H]1NC(=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001609818954 1019573818 /nfs/dbraw/zinc/57/38/18/1019573818.db2.gz NUANVCXRMXMZCZ-WPRPVWTQSA-N -1 0 321.337 -0.336 20 0 DBADRM CC1(C)CCN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001609817604 1019574197 /nfs/dbraw/zinc/57/41/97/1019574197.db2.gz BQKDNNXZIDTANR-WDEREUQCSA-N -1 0 312.366 -0.071 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)O1 ZINC001609819559 1019574825 /nfs/dbraw/zinc/57/48/25/1019574825.db2.gz JUQBEKJEYHVJQN-BDAKNGLRSA-N -1 0 300.311 -0.813 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001609831730 1019574870 /nfs/dbraw/zinc/57/48/70/1019574870.db2.gz VTXBTTQUGVQWLA-XPTSAGLGSA-N -1 0 311.338 -0.654 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCN(CC2CC2)CC1 ZINC001609835117 1019575574 /nfs/dbraw/zinc/57/55/74/1019575574.db2.gz PGXBQYJPPSNYPN-YPMHNXCESA-N -1 0 323.393 -0.138 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC[S@@]1=O ZINC001609860539 1019578620 /nfs/dbraw/zinc/57/86/20/1019578620.db2.gz NCTMLXXXUAITSP-YYSFKGJASA-N -1 0 312.413 -0.519 20 0 DBADRM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1C(=O)Cn1ncn(C)c1=O ZINC001609848578 1019578912 /nfs/dbraw/zinc/57/89/12/1019578912.db2.gz GBJHJHJILIXHCK-ZNSHCXBVSA-N -1 0 324.337 -0.797 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)[C@@H]1C ZINC001609852545 1019579665 /nfs/dbraw/zinc/57/96/65/1019579665.db2.gz PIQZGUSTUSAYRP-DDHJBXDOSA-N -1 0 312.366 -0.073 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)Cn2cncn2)c1[O-] ZINC001505898089 1019579572 /nfs/dbraw/zinc/57/95/72/1019579572.db2.gz KKWKOWBEWGWXLZ-SECBINFHSA-N -1 0 319.325 -0.954 20 0 DBADRM C[C@@H]1CN(CN2C[C@@H](C(=O)[O-])OC2=O)C[C@@]2(CCOC2)O1 ZINC001609873676 1019582063 /nfs/dbraw/zinc/58/20/63/1019582063.db2.gz KRZXBNCDOGFOMS-GBIKHYSHSA-N -1 0 300.311 -0.271 20 0 DBADRM C[C@H]1CN(CCCN2C(=O)CS/C2=C\C(=O)[O-])CC(=O)N1 ZINC001609873617 1019584261 /nfs/dbraw/zinc/58/42/61/1019584261.db2.gz JTGRIWSHJXFZJC-IWKZGAEBSA-N -1 0 313.379 -0.302 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC001609877636 1019585271 /nfs/dbraw/zinc/58/52/71/1019585271.db2.gz AZIOZBMSLSDGKK-QXEWZRGKSA-N -1 0 300.311 -0.034 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC001609881617 1019585346 /nfs/dbraw/zinc/58/53/46/1019585346.db2.gz BAIYWAAPIUJHNL-JTQLQIEISA-N -1 0 313.354 -0.515 20 0 DBADRM C[C@H]1OCC[C@H]1N(CCO)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001609880631 1019585878 /nfs/dbraw/zinc/58/58/78/1019585878.db2.gz MCOBJQZLXVIGPR-NXEZZACHSA-N -1 0 310.372 -0.891 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1 ZINC001609882329 1019586235 /nfs/dbraw/zinc/58/62/35/1019586235.db2.gz GONLOTPUKNCQSV-TUAOUCFPSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1OCC[C@@H]1N(CCO)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001609880632 1019586329 /nfs/dbraw/zinc/58/63/29/1019586329.db2.gz MCOBJQZLXVIGPR-UWVGGRQHSA-N -1 0 310.372 -0.891 20 0 DBADRM C[C@@H]1NC(=O)N(CCOC(=O)c2ccc(C(=O)[O-])n2C)C1=O ZINC001609879191 1019586534 /nfs/dbraw/zinc/58/65/34/1019586534.db2.gz PGBSUYQUBAWACY-ZETCQYMHSA-N -1 0 309.278 -0.180 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001609886358 1019586591 /nfs/dbraw/zinc/58/65/91/1019586591.db2.gz JRDVMIRVQYDCTB-SNVBAGLBSA-N -1 0 315.351 -0.413 20 0 DBADRM C[C@@H](O)C(C)(C)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001575475903 1019586836 /nfs/dbraw/zinc/58/68/36/1019586836.db2.gz ZWXFPBUFYIURCE-MRVPVSSYSA-N -1 0 323.361 -0.836 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001609886877 1019587119 /nfs/dbraw/zinc/58/71/19/1019587119.db2.gz IDUWFLFBBBBCIB-GFCCVEGCSA-N -1 0 311.382 -0.136 20 0 DBADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cn1cnc(C(N)=O)n1 ZINC001609894556 1019588309 /nfs/dbraw/zinc/58/83/09/1019588309.db2.gz XSDVWGADYHDHIT-CQSZACIVSA-N -1 0 323.353 -0.131 20 0 DBADRM C[C@@H](O)CC(C)(C)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001575472734 1019588330 /nfs/dbraw/zinc/58/83/30/1019588330.db2.gz JBUDBFWFUGRULK-SSDOTTSWSA-N -1 0 323.357 -0.125 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)Nc1ccc(CC(N)=O)cc1)C(=O)[O-] ZINC001609887763 1019588960 /nfs/dbraw/zinc/58/89/60/1019588960.db2.gz UUWZTIPUJSMFND-VIFPVBQESA-N -1 0 321.333 -0.168 20 0 DBADRM C[C@H](CN(C)S(C)(=O)=O)OC(=O)c1cnc(C(=O)[O-])cn1 ZINC001609903908 1019589114 /nfs/dbraw/zinc/58/91/14/1019589114.db2.gz SCTZQAJDQYFGSS-SSDOTTSWSA-N -1 0 317.323 -0.389 20 0 DBADRM C[C@H](CN(C)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC001609902735 1019589454 /nfs/dbraw/zinc/58/94/54/1019589454.db2.gz YGNFNEPLVZDRTQ-KOLCDFICSA-N -1 0 323.353 -0.113 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN[C@H](CO)c1cnn(C)c1)C(=O)[O-] ZINC001609899803 1019589519 /nfs/dbraw/zinc/58/95/19/1019589519.db2.gz MIGITCREPHEYKC-UFGOTCBOSA-N -1 0 312.370 -0.341 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)O[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001609893537 1019589880 /nfs/dbraw/zinc/58/98/80/1019589880.db2.gz WXAPLTCSWNPUFU-KXUCPTDWSA-N -1 0 314.338 -0.247 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@H](O)C[C@H]1COC)C(=O)[O-] ZINC001609901042 1019590859 /nfs/dbraw/zinc/59/08/59/1019590859.db2.gz SASYWVSFMVORID-KQXIARHKSA-N -1 0 302.371 -0.317 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)C[C@H]1O ZINC001609948601 1019592340 /nfs/dbraw/zinc/59/23/40/1019592340.db2.gz XDMJADRGMCSUEA-MWLCHTKSSA-N -1 0 324.337 -0.556 20 0 DBADRM CC(C)(C)c1ncc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])cn1 ZINC001609943365 1019592424 /nfs/dbraw/zinc/59/24/24/1019592424.db2.gz YVXXPMDEWYJHGE-CQSZACIVSA-N -1 0 324.337 -0.336 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1ccc2c(c1)C(=O)OC2)C(=O)[O-] ZINC001609972949 1019594888 /nfs/dbraw/zinc/59/48/88/1019594888.db2.gz SYLSGKXVJZWKIW-LBPRGKRZSA-N -1 0 315.303 -0.529 20 0 DBADRM CCCCOCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001609970603 1019595113 /nfs/dbraw/zinc/59/51/13/1019595113.db2.gz NHEYQZBJQDVHNC-MNOVXSKESA-N -1 0 316.354 -0.787 20 0 DBADRM CCN(CCSC)C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001610001485 1019598453 /nfs/dbraw/zinc/59/84/53/1019598453.db2.gz KHUYAJATRNJPEV-JTQLQIEISA-N -1 0 318.395 -0.100 20 0 DBADRM CCCc1nc(CS(=O)(=O)C[C@H](NC(C)=O)C(=O)[O-])no1 ZINC001609985888 1019599973 /nfs/dbraw/zinc/59/99/73/1019599973.db2.gz OXAWRDRFAMIMSM-QMMMGPOBSA-N -1 0 319.339 -0.474 20 0 DBADRM CCN([C@H]1CCNC1=O)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001609996271 1019600121 /nfs/dbraw/zinc/60/01/21/1019600121.db2.gz RMHXJUYFHPQKBZ-ZETCQYMHSA-N -1 0 302.308 -0.123 20 0 DBADRM CCN(C[C@@H](O)C(F)(F)F)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001609994147 1019600129 /nfs/dbraw/zinc/60/01/29/1019600129.db2.gz KCXUPFXAQDGWRP-SSDOTTSWSA-N -1 0 310.232 -0.252 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(CCO)CC2)C1 ZINC001610018771 1019604897 /nfs/dbraw/zinc/60/48/97/1019604897.db2.gz NBMUXRJQDAWCGA-OAHLLOKOSA-N -1 0 312.366 -0.069 20 0 DBADRM CCOC(=O)[C@@H]1CNCCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC001610013995 1019605308 /nfs/dbraw/zinc/60/53/08/1019605308.db2.gz IWTUIWJUTOGNFE-NSHDSACASA-N -1 0 307.306 -0.243 20 0 DBADRM CCOC(=O)CCCNC(=O)CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001610017108 1019605632 /nfs/dbraw/zinc/60/56/32/1019605632.db2.gz XYCPJZOXTVHKEQ-GHMZBOCLSA-N -1 0 316.354 -0.380 20 0 DBADRM CCOC(=O)[C@H](CO)NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC001610013531 1019605755 /nfs/dbraw/zinc/60/57/55/1019605755.db2.gz QLWLVXZLIBSDEH-LURJTMIESA-N -1 0 323.348 -0.351 20 0 DBADRM CCO[C@@H]1C[C@](NC(=O)CSCC(N)=O)(C(=O)[O-])C1(C)C ZINC001610030490 1019606497 /nfs/dbraw/zinc/60/64/97/1019606497.db2.gz LQQMWQPDIXUGOD-OQPBUACISA-N -1 0 318.395 -0.021 20 0 DBADRM CCOC(Cn1ncc(C(=O)NCC(=O)[O-])c1N)OCC ZINC001610026777 1019606640 /nfs/dbraw/zinc/60/66/40/1019606640.db2.gz PLOAVSZLQYVMMM-UHFFFAOYSA-N -1 0 300.315 -0.321 20 0 DBADRM CCOCCN(C)C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001610033694 1019606856 /nfs/dbraw/zinc/60/68/56/1019606856.db2.gz PQIYJUDCLHGVIM-UHFFFAOYSA-N -1 0 312.326 -0.290 20 0 DBADRM CCS(=O)(=O)C1CCN(CCC(=O)NCC(=O)[O-])CC1 ZINC001610050786 1019607729 /nfs/dbraw/zinc/60/77/29/1019607729.db2.gz FEDIYRKANKBRQH-UHFFFAOYSA-N -1 0 306.384 -0.524 20 0 DBADRM CCOCCNC(=O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001610037620 1019607760 /nfs/dbraw/zinc/60/77/60/1019607760.db2.gz ZDAWHEQKIBZXQY-VIFPVBQESA-N -1 0 304.368 -0.585 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001610047858 1019607988 /nfs/dbraw/zinc/60/79/88/1019607988.db2.gz BGJLCHOWPZLGRN-VIFPVBQESA-N -1 0 304.368 -0.361 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610051142 1019608115 /nfs/dbraw/zinc/60/81/15/1019608115.db2.gz QHDSDAKQPDAIST-MRVPVSSYSA-N -1 0 316.339 -0.816 20 0 DBADRM CC[C@H](O)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001610055990 1019608298 /nfs/dbraw/zinc/60/82/98/1019608298.db2.gz SAOHOFHZQJKZIN-CABZTGNLSA-N -1 0 322.317 -0.248 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC001610037232 1019608346 /nfs/dbraw/zinc/60/83/46/1019608346.db2.gz TVDCORQCOTXNSV-NXEZZACHSA-N -1 0 322.383 -0.688 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC001610052602 1019608436 /nfs/dbraw/zinc/60/84/36/1019608436.db2.gz MRMYTTASKGFJND-LAEOZQHASA-N -1 0 302.327 -0.330 20 0 DBADRM CCO[C@@H]1COC[C@H]1NS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001610038126 1019608638 /nfs/dbraw/zinc/60/86/38/1019608638.db2.gz YAQZKZNNLFJOOJ-NXEZZACHSA-N -1 0 307.368 -0.035 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001610050088 1019609086 /nfs/dbraw/zinc/60/90/86/1019609086.db2.gz SUIIEICWFFLUHP-DYCLVXDSSA-N -1 0 304.368 -0.807 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001610036646 1019609325 /nfs/dbraw/zinc/60/93/25/1019609325.db2.gz HDYOWEXNJSRSMQ-UHFFFAOYSA-N -1 0 324.399 -0.346 20 0 DBADRM CCOCCN1CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC001610036950 1019609429 /nfs/dbraw/zinc/60/94/29/1019609429.db2.gz HRCGPGIHURTKRV-AWEZNQCLSA-N -1 0 315.414 -0.134 20 0 DBADRM CCn1cccc(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1=O ZINC001610084330 1019610536 /nfs/dbraw/zinc/61/05/36/1019610536.db2.gz BVCWWPCWHZZUIT-NWDGAFQWSA-N -1 0 323.349 -0.155 20 0 DBADRM CCc1nc(NC(=O)CN2CC(=O)NC2=O)sc1C(=O)[O-] ZINC001610069921 1019610900 /nfs/dbraw/zinc/61/09/00/1019610900.db2.gz BQBBTDCBWSEVPI-UHFFFAOYSA-N -1 0 312.307 -0.106 20 0 DBADRM CCn1nc(C)c(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001610084493 1019611152 /nfs/dbraw/zinc/61/11/52/1019611152.db2.gz DVJODEMIGBITJU-VHSXEESVSA-N -1 0 311.342 -0.417 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)n1 ZINC001610086228 1019611477 /nfs/dbraw/zinc/61/14/77/1019611477.db2.gz XJNUIZINCPFMFW-ZJUUUORDSA-N -1 0 323.353 -0.456 20 0 DBADRM CCn1ccc(=O)n(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c1=O ZINC001610083554 1019612187 /nfs/dbraw/zinc/61/21/87/1019612187.db2.gz ZHBYRVWLXAAORM-SNVBAGLBSA-N -1 0 311.338 -0.355 20 0 DBADRM CCn1c2ccccc2n(CC(=O)N[C@H](CO)C(=O)[O-])c1=O ZINC001610080858 1019612194 /nfs/dbraw/zinc/61/21/94/1019612194.db2.gz RMIZPBBDXVQROE-SECBINFHSA-N -1 0 307.306 -0.615 20 0 DBADRM CCn1cccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1=O ZINC001610084363 1019612370 /nfs/dbraw/zinc/61/23/70/1019612370.db2.gz DDIFGWJSCGOIEP-LLVKDONJSA-N -1 0 309.322 -0.137 20 0 DBADRM CN(C(=O)Cn1cc(S(N)(=O)=O)cn1)C(C)(C)CC(=O)[O-] ZINC001610092564 1019613835 /nfs/dbraw/zinc/61/38/35/1019613835.db2.gz BYUHKEKXMIIRKG-UHFFFAOYSA-N -1 0 318.355 -0.758 20 0 DBADRM CN(C)C(=O)O[C@@H]1CCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1 ZINC001610094924 1019613951 /nfs/dbraw/zinc/61/39/51/1019613951.db2.gz DZFLFFWGAFXCIL-BDAKNGLRSA-N -1 0 301.299 -0.378 20 0 DBADRM CN(C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@H]1CCNC1=O ZINC001610087816 1019614378 /nfs/dbraw/zinc/61/43/78/1019614378.db2.gz NBOIBLWQSGEIBO-JTQLQIEISA-N -1 0 323.280 -0.191 20 0 DBADRM C[C@H]1OCC[C@]12CN(C(=O)C(=O)NCCC(=O)[O-])C[C@@H](C)O2 ZINC001610090796 1019614726 /nfs/dbraw/zinc/61/47/26/1019614726.db2.gz SXGMKJCEIKRYLV-RULNRJAQSA-N -1 0 314.338 -0.628 20 0 DBADRM CN(C)C(=O)OCCn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC001610095666 1019615093 /nfs/dbraw/zinc/61/50/93/1019615093.db2.gz OFSJFIFBSJKRPX-UHFFFAOYSA-N -1 0 309.282 -0.624 20 0 DBADRM CN(CC(=O)OCCn1cc(C(=O)[O-])nn1)[C@@H]1CCSC1 ZINC001610110754 1019616496 /nfs/dbraw/zinc/61/64/96/1019616496.db2.gz SFQAMMWGUDTKDM-SECBINFHSA-N -1 0 314.367 -0.043 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001610110834 1019617975 /nfs/dbraw/zinc/61/79/75/1019617975.db2.gz HRQIVTVJLXZZKV-UHFFFAOYSA-N -1 0 309.278 -0.968 20 0 DBADRM CN(C1CCN(Cn2cc(C(=O)[O-])nn2)CC1)S(C)(=O)=O ZINC001610107773 1019618154 /nfs/dbraw/zinc/61/81/54/1019618154.db2.gz JGZZOQVONPMSBD-UHFFFAOYSA-N -1 0 317.371 -0.710 20 0 DBADRM C[C@H]1c2nncn2CCN1C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001610109734 1019618683 /nfs/dbraw/zinc/61/86/83/1019618683.db2.gz UVYNSIWMIBUOKG-XPTSAGLGSA-N -1 0 321.337 -0.496 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)c1ccc(C(=O)[O-])n1C ZINC001610119075 1019619593 /nfs/dbraw/zinc/61/95/93/1019619593.db2.gz PRXOMTZFKZOBRL-UHFFFAOYSA-N -1 0 303.340 -0.656 20 0 DBADRM CN(CC(N)=O)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001610111904 1019620046 /nfs/dbraw/zinc/62/00/46/1019620046.db2.gz WNEHMDNRPIQUEO-GFCCVEGCSA-N -1 0 305.334 -0.558 20 0 DBADRM CN(CCCNC(=O)C1CCC1)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001610116395 1019620703 /nfs/dbraw/zinc/62/07/03/1019620703.db2.gz NWAUIMXBBANITH-UHFFFAOYSA-N -1 0 323.353 -0.259 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCOc1ncccc1F ZINC001610115333 1019620922 /nfs/dbraw/zinc/62/09/22/1019620922.db2.gz OVLVBCRXJQTNCF-UHFFFAOYSA-N -1 0 321.330 -0.160 20 0 DBADRM CN(CC1(O)CCC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001610113301 1019621456 /nfs/dbraw/zinc/62/14/56/1019621456.db2.gz SIXZVZNOSHMIJP-UHFFFAOYSA-N -1 0 306.384 -0.125 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)C[C@H](O)C(F)(F)F ZINC001610114770 1019621753 /nfs/dbraw/zinc/62/17/53/1019621753.db2.gz XQXZEMBKFLYWCJ-LURJTMIESA-N -1 0 308.278 -0.507 20 0 DBADRM CN(Cc1ccccn1)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001610125493 1019623155 /nfs/dbraw/zinc/62/31/55/1019623155.db2.gz YYCTWGKMMNUPBO-JQWIXIFHSA-N -1 0 321.333 -0.666 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001610133845 1019624387 /nfs/dbraw/zinc/62/43/87/1019624387.db2.gz KOYPWXGZSNUXHA-UHFFFAOYSA-N -1 0 309.322 -0.128 20 0 DBADRM CN(Cc1ccccn1)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001610125495 1019624406 /nfs/dbraw/zinc/62/44/06/1019624406.db2.gz YYCTWGKMMNUPBO-ZYHUDNBSSA-N -1 0 321.333 -0.666 20 0 DBADRM COC(=O)[C@H](O)C1CCN(C(=S)NCCCC(=O)[O-])CC1 ZINC001610154618 1019636474 /nfs/dbraw/zinc/63/64/74/1019636474.db2.gz GQFLZFMDWWVCNI-LLVKDONJSA-N -1 0 318.395 -0.028 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC1=O ZINC001610132472 1019624863 /nfs/dbraw/zinc/62/48/63/1019624863.db2.gz GAKIVYKNGVPJGV-ZJUUUORDSA-N -1 0 323.349 -0.953 20 0 DBADRM Cn1cc(NC(=O)[C@H]2CCN(C)S2(=O)=O)cc1C(=O)[O-] ZINC001610129285 1019624900 /nfs/dbraw/zinc/62/49/00/1019624900.db2.gz MQNBLTUDNNVZFO-SECBINFHSA-N -1 0 301.324 -0.304 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)C1=O ZINC001610134766 1019626899 /nfs/dbraw/zinc/62/68/99/1019626899.db2.gz SURSIKQRMWNLMX-SNVBAGLBSA-N -1 0 321.337 -0.382 20 0 DBADRM CN1CCN([C@H](C(=O)N[C@H](CO)C(=O)[O-])c2ccccc2)CC1 ZINC001610136322 1019626914 /nfs/dbraw/zinc/62/69/14/1019626914.db2.gz FGXAZKGTDUNGKG-KGLIPLIRSA-N -1 0 321.377 -0.463 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C1=O ZINC001610135085 1019627919 /nfs/dbraw/zinc/62/79/19/1019627919.db2.gz WDYZBSAGCWFOEQ-GUBZILKMSA-N -1 0 304.368 -0.220 20 0 DBADRM CN1CCN(C(=O)CN[C@@H](C(=O)[O-])c2cccc(O)c2)CC1 ZINC001610136054 1019628075 /nfs/dbraw/zinc/62/80/75/1019628075.db2.gz ZJCFWEPRRPPYFB-CQSZACIVSA-N -1 0 307.350 -0.119 20 0 DBADRM CNC(=O)CCCN(C)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001610139255 1019628274 /nfs/dbraw/zinc/62/82/74/1019628274.db2.gz MZQXRDZAZZQKNV-UHFFFAOYSA-N -1 0 312.330 -0.856 20 0 DBADRM CN1CCN(CC(=O)Nc2cccc(OCC(=O)[O-])c2)CC1=O ZINC001610135018 1019628541 /nfs/dbraw/zinc/62/85/41/1019628541.db2.gz NESWLONKBLFGBX-UHFFFAOYSA-N -1 0 321.333 -0.138 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001610139666 1019629788 /nfs/dbraw/zinc/62/97/88/1019629788.db2.gz VCAMMTOFZVRJCZ-DTWKUNHWSA-N -1 0 303.384 -0.030 20 0 DBADRM CC[C@@H](C)[C@H](C)C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001575548678 1019629713 /nfs/dbraw/zinc/62/97/13/1019629713.db2.gz JFNADOVRKXAJLX-BDAKNGLRSA-N -1 0 313.358 -0.396 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001610139665 1019630510 /nfs/dbraw/zinc/63/05/10/1019630510.db2.gz VCAMMTOFZVRJCZ-BDAKNGLRSA-N -1 0 303.384 -0.030 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001610140609 1019630605 /nfs/dbraw/zinc/63/06/05/1019630605.db2.gz CEBBNUQRQJQZAT-RXMQYKEDSA-N -1 0 321.742 -0.154 20 0 DBADRM CNC(=O)NCCC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001610140761 1019631349 /nfs/dbraw/zinc/63/13/49/1019631349.db2.gz IZNSREQSSOSVRY-UHFFFAOYSA-N -1 0 322.321 -0.241 20 0 DBADRM CNC(=O)NCC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610141041 1019631492 /nfs/dbraw/zinc/63/14/92/1019631492.db2.gz RVRBWEUABGVLPQ-MRVPVSSYSA-N -1 0 310.314 -0.931 20 0 DBADRM C[C@@H](CNC(=O)c1cc(F)c[nH]1)N(C)Cc1nn(C)c(=O)[n-]1 ZINC001505965417 1019631590 /nfs/dbraw/zinc/63/15/90/1019631590.db2.gz OCZZJRDDQYCIJT-QMMMGPOBSA-N -1 0 310.333 -0.174 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)N[C@@H](CF)C(=O)[O-])c1 ZINC001610146521 1019632777 /nfs/dbraw/zinc/63/27/77/1019632777.db2.gz ATZWETGTISVMIC-VIFPVBQESA-N -1 0 304.299 -0.253 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccccc1OC ZINC001610150962 1019632800 /nfs/dbraw/zinc/63/28/00/1019632800.db2.gz LYBFWQNHDPLWDU-QMMMGPOBSA-N -1 0 317.319 -0.010 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001610146354 1019633746 /nfs/dbraw/zinc/63/37/46/1019633746.db2.gz ONPJKJFGGPFZFF-GFCCVEGCSA-N -1 0 315.351 -0.563 20 0 DBADRM Cc1noc(CCC(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001505974876 1019634542 /nfs/dbraw/zinc/63/45/42/1019634542.db2.gz YKHRNVGTHPYOJW-QMMMGPOBSA-N -1 0 323.357 -0.229 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1Cc1oncc1C(=O)[O-] ZINC001610147989 1019634434 /nfs/dbraw/zinc/63/44/34/1019634434.db2.gz ZSBKNRWAHLUOIQ-QMMMGPOBSA-N -1 0 303.340 -0.114 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CCC(=O)c1cnn(C)c1 ZINC001610151639 1019634659 /nfs/dbraw/zinc/63/46/59/1019634659.db2.gz DGJLEQAYNDODSF-VIFPVBQESA-N -1 0 311.294 -0.485 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)Cn1cnc2c1CCCC2 ZINC001610154154 1019636395 /nfs/dbraw/zinc/63/63/95/1019636395.db2.gz UZUPGIUWXRPZRT-JTQLQIEISA-N -1 0 309.322 -0.106 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001610152193 1019636938 /nfs/dbraw/zinc/63/69/38/1019636938.db2.gz HRXPJYUGHAXFQM-SCZZXKLOSA-N -1 0 323.367 -0.717 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC001610152873 1019637366 /nfs/dbraw/zinc/63/73/66/1019637366.db2.gz LWCLXWMAHQNSFJ-VIFPVBQESA-N -1 0 321.289 -0.126 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cnc(OC)nc2)[C@@H](C(=O)[O-])C1 ZINC001610164527 1019638780 /nfs/dbraw/zinc/63/87/80/1019638780.db2.gz AJRCYZZBYGGIDT-WCBMZHEXSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCCC(N)=O)[C@H](C(=O)[O-])C1 ZINC001610174650 1019638886 /nfs/dbraw/zinc/63/88/86/1019638886.db2.gz YUULTGCYQMCKCE-BDAKNGLRSA-N -1 0 300.311 -0.493 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCCC(N)=O)[C@@H](C(=O)[O-])C1 ZINC001610174657 1019638914 /nfs/dbraw/zinc/63/89/14/1019638914.db2.gz YUULTGCYQMCKCE-RKDXNWHRSA-N -1 0 300.311 -0.493 20 0 DBADRM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001610173583 1019639369 /nfs/dbraw/zinc/63/93/69/1019639369.db2.gz OJPSJWRPIFVCII-SBMIAAHKSA-N -1 0 322.321 -0.224 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCCC(N)=O)[C@H](C(=O)[O-])C1 ZINC001610174655 1019639395 /nfs/dbraw/zinc/63/93/95/1019639395.db2.gz YUULTGCYQMCKCE-IUCAKERBSA-N -1 0 300.311 -0.493 20 0 DBADRM O=C(CCCF)NCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001575570024 1019640903 /nfs/dbraw/zinc/64/09/03/1019640903.db2.gz BWTIUGYYZNTNBN-UHFFFAOYSA-N -1 0 324.316 -0.947 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H]1CCn2c(C)ncc2C1)C(=O)[O-] ZINC001610179084 1019642283 /nfs/dbraw/zinc/64/22/83/1019642283.db2.gz GNAMZCAWXFCAIT-MWLCHTKSSA-N -1 0 309.322 -0.114 20 0 DBADRM COC(=O)C[C@H](C)C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001610176939 1019642349 /nfs/dbraw/zinc/64/23/49/1019642349.db2.gz SSUPMNWEEJDDAX-QMMMGPOBSA-N -1 0 321.351 -0.666 20 0 DBADRM COC(=O)[C@@H]1CC(=O)N(CN(CC(=O)[O-])CC(F)(F)F)C1 ZINC001610178747 1019642394 /nfs/dbraw/zinc/64/23/94/1019642394.db2.gz WKODGXKCDLRCRJ-SSDOTTSWSA-N -1 0 312.244 -0.086 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1nccn2cc(C)nc12)C(=O)[O-] ZINC001610177381 1019642434 /nfs/dbraw/zinc/64/24/34/1019642434.db2.gz FOGCDZGCWHCPKG-QMMMGPOBSA-N -1 0 306.278 -0.216 20 0 DBADRM COC(=O)C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)[O-] ZINC001610179810 1019642677 /nfs/dbraw/zinc/64/26/77/1019642677.db2.gz IGYJBNOYHOVPQB-VIFPVBQESA-N -1 0 321.289 -0.126 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@@H]1CCCC12OCCO2)C(=O)[O-] ZINC001610181261 1019642838 /nfs/dbraw/zinc/64/28/38/1019642838.db2.gz RTIQNLXDZRFSIL-DTWKUNHWSA-N -1 0 301.295 -0.338 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccnc2c1nnn2C ZINC001610185386 1019644723 /nfs/dbraw/zinc/64/47/23/1019644723.db2.gz XRKRWGQUNYQWJZ-UHFFFAOYSA-N -1 0 307.266 -0.937 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cnn(CCF)c1)C(=O)[O-] ZINC001610183094 1019645552 /nfs/dbraw/zinc/64/55/52/1019645552.db2.gz PNQCYYOJEKJHNI-SECBINFHSA-N -1 0 301.274 -0.011 20 0 DBADRM COC(=O)NCCNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001610186953 1019647571 /nfs/dbraw/zinc/64/75/71/1019647571.db2.gz CWKLSVMPMKANFD-DTWKUNHWSA-N -1 0 308.356 -0.095 20 0 DBADRM COC(=O)[C@@H]1CN(CN2CCOC[C@H]2CC(=O)[O-])C(=O)O1 ZINC001610192208 1019647906 /nfs/dbraw/zinc/64/79/06/1019647906.db2.gz FAWJZTABMSVUGX-BDAKNGLRSA-N -1 0 302.283 -0.887 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](C)N1CCSCC1 ZINC001610190929 1019647928 /nfs/dbraw/zinc/64/79/28/1019647928.db2.gz NEDCVDAEOBNWQN-VHSXEESVSA-N -1 0 318.395 -0.054 20 0 DBADRM COC(=O)[C@H](C)NC(=O)c1cncc(C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC001610191151 1019648622 /nfs/dbraw/zinc/64/86/22/1019648622.db2.gz YSNIBASWGZQFTR-YUMQZZPRSA-N -1 0 323.305 -0.424 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)NC2(C(=O)[O-])CC2)cn1C ZINC001610201880 1019651089 /nfs/dbraw/zinc/65/10/89/1019651089.db2.gz RYLGKLJYOKHSBW-UHFFFAOYSA-N -1 0 309.278 -0.516 20 0 DBADRM COC(=O)c1cncc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])c1 ZINC001610219252 1019651310 /nfs/dbraw/zinc/65/13/10/1019651310.db2.gz RVBVECHCMGFBPH-NSHDSACASA-N -1 0 318.289 -0.052 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN2CCO[C@@H](CF)C2)n1 ZINC001610198206 1019651346 /nfs/dbraw/zinc/65/13/46/1019651346.db2.gz ZFQXTYBONZIGES-QMMMGPOBSA-N -1 0 301.274 -0.004 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)on1 ZINC001610196136 1019651472 /nfs/dbraw/zinc/65/14/72/1019651472.db2.gz PCSRJJGSRVKJQL-SECBINFHSA-N -1 0 308.250 -0.250 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)Cn1cccnc1=O)OC ZINC001610224025 1019651506 /nfs/dbraw/zinc/65/15/06/1019651506.db2.gz IHPSGFSYLAEKRS-UHFFFAOYSA-N -1 0 313.310 -0.835 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)c1cnn(C)c1N)OC ZINC001610224692 1019651737 /nfs/dbraw/zinc/65/17/37/1019651737.db2.gz WLQABUPRZUJONH-UHFFFAOYSA-N -1 0 300.315 -0.462 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-])c1 ZINC001610222520 1019651778 /nfs/dbraw/zinc/65/17/78/1019651778.db2.gz LIMJQBKTALPORJ-MRVPVSSYSA-N -1 0 321.307 -0.431 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@@H](NCc2nc(N)nc(N)n2)C(=O)[O-])C1 ZINC001610235883 1019652392 /nfs/dbraw/zinc/65/23/92/1019652392.db2.gz RHOHSQQDJLSGPQ-QXFUBDJGSA-N -1 0 310.358 -0.216 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC001610240533 1019652722 /nfs/dbraw/zinc/65/27/22/1019652722.db2.gz SXIOKFDSBQIVNV-SNVBAGLBSA-N -1 0 308.356 -0.668 20 0 DBADRM CO[C@@H](C)CCC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001610225051 1019653043 /nfs/dbraw/zinc/65/30/43/1019653043.db2.gz IHOZOGMHCJCHOE-VIFPVBQESA-N -1 0 307.368 -0.050 20 0 DBADRM COC1(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CCOCC1 ZINC001610230309 1019653211 /nfs/dbraw/zinc/65/32/11/1019653211.db2.gz XVCRNOUFDGDIJH-WDEREUQCSA-N -1 0 316.354 -0.341 20 0 DBADRM CO[C@@]1(CNS(=O)(=O)c2csnc2C(=O)[O-])CCOC1 ZINC001610228742 1019653409 /nfs/dbraw/zinc/65/34/09/1019653409.db2.gz MHZWSCFRUQHYBZ-SNVBAGLBSA-N -1 0 322.364 -0.075 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610225066 1019653577 /nfs/dbraw/zinc/65/35/77/1019653577.db2.gz JICIGOKASDZZJU-IUCAKERBSA-N -1 0 318.355 -0.412 20 0 DBADRM CO[C@@H]1CCC[C@@H]([C@@H](NCc2nc(N)nc(N)n2)C(=O)[O-])C1 ZINC001610235882 1019653897 /nfs/dbraw/zinc/65/38/97/1019653897.db2.gz RHOHSQQDJLSGPQ-NQMVMOMDSA-N -1 0 310.358 -0.216 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@H]1NC(=O)O[C@@H]1C)OC ZINC001610229397 1019654039 /nfs/dbraw/zinc/65/40/39/1019654039.db2.gz JEFMAWZYTZOLIJ-XCBNKYQSSA-N -1 0 304.299 -0.595 20 0 DBADRM COC[C@@](C)(NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC001610244238 1019655166 /nfs/dbraw/zinc/65/51/66/1019655166.db2.gz APGRHRHTZRPHPJ-JOYOIKCWSA-N -1 0 319.379 -0.193 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC001610243520 1019655825 /nfs/dbraw/zinc/65/58/25/1019655825.db2.gz NZGSAHMZZMIKQF-GZMMTYOYSA-N -1 0 310.372 -0.738 20 0 DBADRM COC[C@@](C)(NC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(=O)[O-] ZINC001610244883 1019655862 /nfs/dbraw/zinc/65/58/62/1019655862.db2.gz YFIFUABQYCUVAA-CQSZACIVSA-N -1 0 322.321 -0.521 20 0 DBADRM COC[C@H](NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C1CC1 ZINC001610245992 1019656372 /nfs/dbraw/zinc/65/63/72/1019656372.db2.gz XGDSSUUVOJCVFU-VIFPVBQESA-N -1 0 310.310 -0.402 20 0 DBADRM COCC(=O)N1CCN(C(=O)Nc2ccc(C(=O)[O-])nn2)CC1 ZINC001610241589 1019656500 /nfs/dbraw/zinc/65/65/00/1019656500.db2.gz XCKKETOHKFYSTA-UHFFFAOYSA-N -1 0 323.309 -0.503 20 0 DBADRM COCCS(=O)(=O)NC1(C(=O)OC)CCC(C(=O)[O-])CC1 ZINC001610263770 1019665772 /nfs/dbraw/zinc/66/57/72/1019665772.db2.gz MKUSDJCPKNUQBG-UHFFFAOYSA-N -1 0 323.367 -0.261 20 0 DBADRM COC[C@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(=O)OC ZINC001610250203 1019658410 /nfs/dbraw/zinc/65/84/10/1019658410.db2.gz UVOPXHWZCPDIGP-YFKPBYRVSA-N -1 0 324.336 -0.692 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001610247754 1019659124 /nfs/dbraw/zinc/65/91/24/1019659124.db2.gz SPOYVCPQOPXCOS-LPEHRKFASA-N -1 0 323.367 -0.311 20 0 DBADRM COCC1(S(=O)(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)CC1 ZINC001610249591 1019659763 /nfs/dbraw/zinc/65/97/63/1019659763.db2.gz KEOTVGBCVMALBC-NSHDSACASA-N -1 0 320.411 -0.024 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001610247751 1019659843 /nfs/dbraw/zinc/65/98/43/1019659843.db2.gz SPOYVCPQOPXCOS-IVZWLZJFSA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@@]1(C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)CCOC1 ZINC001610248070 1019659886 /nfs/dbraw/zinc/65/98/86/1019659886.db2.gz LHSSSDRXZUIPGW-FZMZJTMJSA-N -1 0 317.338 -0.192 20 0 DBADRM COCC1(NC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CCC1 ZINC001610252167 1019661146 /nfs/dbraw/zinc/66/11/46/1019661146.db2.gz PVRRUDJEKCLTJF-UHFFFAOYSA-N -1 0 310.310 -0.258 20 0 DBADRM COCC[C@@H](COC)NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001610254633 1019661315 /nfs/dbraw/zinc/66/13/15/1019661315.db2.gz OGWRLLGSQBMILA-RYUDHWBXSA-N -1 0 318.370 -0.095 20 0 DBADRM COCCCS(=O)(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001610256523 1019661520 /nfs/dbraw/zinc/66/15/20/1019661520.db2.gz AQJWHIYYCVOKMI-LLVKDONJSA-N -1 0 308.400 -0.167 20 0 DBADRM COCCN1CCCN(S(=O)(=O)CCCC(=O)[O-])CC1=O ZINC001610260617 1019661855 /nfs/dbraw/zinc/66/18/55/1019661855.db2.gz DPFDMPAQXGOMDE-UHFFFAOYSA-N -1 0 322.383 -0.638 20 0 DBADRM COCC[C@@H](NC(=O)CNC(=O)Cc1ccc(O)cc1)C(=O)[O-] ZINC001610254913 1019661949 /nfs/dbraw/zinc/66/19/49/1019661949.db2.gz ACCUTYHLCALLMV-GFCCVEGCSA-N -1 0 324.333 -0.343 20 0 DBADRM COCC[C@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC001610254085 1019662934 /nfs/dbraw/zinc/66/29/34/1019662934.db2.gz UUWFWHMOFFHTGT-QMMMGPOBSA-N -1 0 309.278 -0.368 20 0 DBADRM COCCN(C)C(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001610258377 1019662952 /nfs/dbraw/zinc/66/29/52/1019662952.db2.gz OYBRUSVZDZGBSU-NSHDSACASA-N -1 0 315.370 -0.901 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001610260948 1019664197 /nfs/dbraw/zinc/66/41/97/1019664197.db2.gz HNQSPWOURFJVGQ-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM COCCOCC(=O)NC1CCC(C(=O)NCC(=O)[O-])CC1 ZINC001610261245 1019664267 /nfs/dbraw/zinc/66/42/67/1019664267.db2.gz RNCZRUXOBLFELP-UHFFFAOYSA-N -1 0 316.354 -0.475 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001610268556 1019664541 /nfs/dbraw/zinc/66/45/41/1019664541.db2.gz MFYNVXGPVXYFFS-SSDOTTSWSA-N -1 0 307.299 -0.191 20 0 DBADRM COCCOCC(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001610264403 1019665161 /nfs/dbraw/zinc/66/51/61/1019665161.db2.gz WEDWCGYHFGSVAE-NXEZZACHSA-N -1 0 303.311 -0.486 20 0 DBADRM COCCOc1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001610263153 1019665173 /nfs/dbraw/zinc/66/51/73/1019665173.db2.gz XVHWJJKHRFFPFV-UHFFFAOYSA-N -1 0 310.306 -0.358 20 0 DBADRM COCCS(=O)(=O)CC(=O)NC1(CC(=O)[O-])CCCC1 ZINC001610264029 1019665480 /nfs/dbraw/zinc/66/54/80/1019665480.db2.gz QPMQHZUWDRBTTO-UHFFFAOYSA-N -1 0 307.368 -0.049 20 0 DBADRM COc1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])ccc1O ZINC001610280631 1019666836 /nfs/dbraw/zinc/66/68/36/1019666836.db2.gz LWFYZEJUTVWJDV-SECBINFHSA-N -1 0 308.290 -0.184 20 0 DBADRM COc1cc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)ccc1C(=O)[O-] ZINC001610299838 1019666985 /nfs/dbraw/zinc/66/69/85/1019666985.db2.gz LZEPUANXRGPPQJ-QMMMGPOBSA-N -1 0 321.289 -0.663 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001610271053 1019667372 /nfs/dbraw/zinc/66/73/72/1019667372.db2.gz QOOKNJOWCHCXON-UHFFFAOYSA-N -1 0 321.333 -0.405 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])ccn1 ZINC001610298831 1019667479 /nfs/dbraw/zinc/66/74/79/1019667479.db2.gz JYGRRAMZDSYIDY-MWLCHTKSSA-N -1 0 323.305 -0.535 20 0 DBADRM CCN(C(=O)COC(=O)[C@@H](C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001610270577 1019667520 /nfs/dbraw/zinc/66/75/20/1019667520.db2.gz GQSMNPQEZVASTD-IUCAKERBSA-N -1 0 321.351 -0.714 20 0 DBADRM COc1cc(C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)nn1C ZINC001610288982 1019667983 /nfs/dbraw/zinc/66/79/83/1019667983.db2.gz IHVJQGJETNBVIC-NSHDSACASA-N -1 0 313.310 -0.189 20 0 DBADRM COCn1nccc1S(=O)(=O)N[C@@](C)(COC)CC(=O)[O-] ZINC001610274264 1019668093 /nfs/dbraw/zinc/66/80/93/1019668093.db2.gz ALPLUHSTAXOELQ-LLVKDONJSA-N -1 0 321.355 -0.355 20 0 DBADRM COCc1noc(CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001610274496 1019668521 /nfs/dbraw/zinc/66/85/21/1019668521.db2.gz HAZGQBZPPGNQFO-QMMMGPOBSA-N -1 0 308.298 -0.047 20 0 DBADRM COc1ccc(S(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-])cn1 ZINC001610345918 1019669797 /nfs/dbraw/zinc/66/97/97/1019669797.db2.gz HEGKPNQQHVZSRX-SECBINFHSA-N -1 0 304.324 -0.407 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])CC1 ZINC001610314782 1019669934 /nfs/dbraw/zinc/66/99/34/1019669934.db2.gz STSFHARGXOMRNT-JTQLQIEISA-N -1 0 309.340 -0.773 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](CF)C(=O)[O-] ZINC001610349051 1019670581 /nfs/dbraw/zinc/67/05/81/1019670581.db2.gz DAAOQDPCPYUNHS-QMMMGPOBSA-N -1 0 320.298 -0.505 20 0 DBADRM COc1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)c(OC)n1 ZINC001610333111 1019670945 /nfs/dbraw/zinc/67/09/45/1019670945.db2.gz DFSXUSJTFMXJGH-UHFFFAOYSA-N -1 0 321.293 -0.295 20 0 DBADRM COc1ccncc1CNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001610370148 1019673329 /nfs/dbraw/zinc/67/33/29/1019673329.db2.gz TVEKQYQITAQFGX-UHFFFAOYSA-N -1 0 320.309 -0.121 20 0 DBADRM CS(=O)(=O)CCCCNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001610373014 1019673362 /nfs/dbraw/zinc/67/33/62/1019673362.db2.gz JERXYWACHGRTFV-UHFFFAOYSA-N -1 0 318.355 -0.086 20 0 DBADRM COc1ccnc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1 ZINC001610370019 1019673496 /nfs/dbraw/zinc/67/34/96/1019673496.db2.gz WQGPFNUJGZNKGA-LLVKDONJSA-N -1 0 307.306 -0.104 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC001610373547 1019673551 /nfs/dbraw/zinc/67/35/51/1019673551.db2.gz YSLNSUZKDFZERU-YUMQZZPRSA-N -1 0 308.294 -0.207 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001610375608 1019673566 /nfs/dbraw/zinc/67/35/66/1019673566.db2.gz QETZJUFSQGAHRK-HUUUCTMMSA-N -1 0 302.352 -0.609 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001610373546 1019674250 /nfs/dbraw/zinc/67/42/50/1019674250.db2.gz YSLNSUZKDFZERU-SFYZADRCSA-N -1 0 308.294 -0.207 20 0 DBADRM CS(=O)(=O)NCCC(=O)OCc1ccc(C(=O)[O-])cn1 ZINC001610374859 1019674857 /nfs/dbraw/zinc/67/48/57/1019674857.db2.gz AZLOGSVTSTTXTL-UHFFFAOYSA-N -1 0 302.308 -0.238 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CCCN2CCOCC2)C[C@H]1C(=O)[O-] ZINC001610393300 1019677509 /nfs/dbraw/zinc/67/75/09/1019677509.db2.gz YKCKLJOGFYIPCW-VXGBXAGGSA-N -1 0 320.411 -0.309 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cnc(N(C)C)nc2)C[C@H]1C(=O)[O-] ZINC001610392486 1019677810 /nfs/dbraw/zinc/67/78/10/1019677810.db2.gz AQMIFAORKMRAMU-PSASIEDQSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2nc3n(n2)CCCC3)C[C@H]1C(=O)[O-] ZINC001610392581 1019677819 /nfs/dbraw/zinc/67/78/19/1019677819.db2.gz GVUPAZNUNFITOI-RKDXNWHRSA-N -1 0 321.337 -0.268 20 0 DBADRM C[C@@H]1COCCN1C(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001610392970 1019677876 /nfs/dbraw/zinc/67/78/76/1019677876.db2.gz FVCBJCOMDGYUPO-GHMZBOCLSA-N -1 0 310.350 -0.053 20 0 DBADRM Cc1c(NC(=O)C(=O)N(CCO)CCO)cccc1C(=O)[O-] ZINC001610417147 1019678842 /nfs/dbraw/zinc/67/88/42/1019678842.db2.gz FQRHWHCPJRMIFZ-UHFFFAOYSA-N -1 0 310.306 -0.555 20 0 DBADRM Cc1c(NC(=O)C(=O)NCC2(CO)CCC2)cnn1CC(=O)[O-] ZINC001610421624 1019679199 /nfs/dbraw/zinc/67/91/99/1019679199.db2.gz RWXHCEDVRGCDBI-UHFFFAOYSA-N -1 0 324.337 -0.507 20 0 DBADRM Cc1c(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)nn2c1OCCC2 ZINC001610405249 1019679408 /nfs/dbraw/zinc/67/94/08/1019679408.db2.gz CZNCQJYWHYRIGU-ZJUUUORDSA-N -1 0 309.322 -0.118 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2C)cnn1CC(=O)[O-] ZINC001610421391 1019680555 /nfs/dbraw/zinc/68/05/55/1019680555.db2.gz QLYURFJTETUAFG-IONNQARKSA-N -1 0 310.310 -0.804 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NCCn1ncnn1 ZINC001610439762 1019682049 /nfs/dbraw/zinc/68/20/49/1019682049.db2.gz DRHJXESRONPAGC-UHFFFAOYSA-N -1 0 318.293 -0.565 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)no1 ZINC001610468754 1019684336 /nfs/dbraw/zinc/68/43/36/1019684336.db2.gz BDZFNXNJUCWRSF-VIFPVBQESA-N -1 0 324.337 -0.071 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@@H]2CCC[C@H]2O)c1C(=O)[O-] ZINC001610549466 1019685753 /nfs/dbraw/zinc/68/57/53/1019685753.db2.gz BDJGZJGZTAKXTH-JGVFFNPUSA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1ccc(CNC(=O)NCC(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC001610502634 1019686007 /nfs/dbraw/zinc/68/60/07/1019686007.db2.gz YHDZXXNLUWBDAR-LLVKDONJSA-N -1 0 309.322 -0.644 20 0 DBADRM Cc1ccc2c(O)c(C(=O)NCC(=O)NCC(=O)[O-])cnc2n1 ZINC001610517334 1019686500 /nfs/dbraw/zinc/68/65/00/1019686500.db2.gz CTTQTLWLUCBSTD-UHFFFAOYSA-N -1 0 318.289 -0.426 20 0 DBADRM Cc1cc(S(N)(=O)=O)sc1C(=O)O[C@@H](C)C(=O)C(=O)[O-] ZINC001610478411 1019686914 /nfs/dbraw/zinc/68/69/14/1019686914.db2.gz IIQDZPFGXIUJJF-YFKPBYRVSA-N -1 0 321.332 -0.097 20 0 DBADRM Cc1ccc(C(=O)N[C@@H](CF)C(=O)[O-])cc1S(N)(=O)=O ZINC001610483714 1019687014 /nfs/dbraw/zinc/68/70/14/1019687014.db2.gz GXVWMJYZQZRVAZ-QMMMGPOBSA-N -1 0 304.299 -0.205 20 0 DBADRM Cc1cccc(S(=O)(=O)NCc2nnn(C)n2)c1C(=O)[O-] ZINC001610526766 1019687107 /nfs/dbraw/zinc/68/71/07/1019687107.db2.gz WIMYBPKUSDWKKO-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM CC/C(C)=C/C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001506042449 1019687642 /nfs/dbraw/zinc/68/76/42/1019687642.db2.gz SNYBCSRWQDXIMW-RMKNXTFCSA-N -1 0 323.353 -0.189 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)NCC1(C(=O)[O-])CC1 ZINC001610561943 1019688034 /nfs/dbraw/zinc/68/80/34/1019688034.db2.gz MRIOPYDANFWGER-UHFFFAOYSA-N -1 0 318.337 -0.153 20 0 DBADRM Cc1nc(=NS(=O)(=O)c2cc(C(=O)[O-])oc2C)n(C)[nH]1 ZINC001610558340 1019688736 /nfs/dbraw/zinc/68/87/36/1019688736.db2.gz IAQBRVGAGJESJU-UHFFFAOYSA-N -1 0 300.296 -0.054 20 0 DBADRM Cc1nc2ccc(N3CCC[C@@H]3C(=O)NCC(=O)[O-])nn2n1 ZINC001610560330 1019689247 /nfs/dbraw/zinc/68/92/47/1019689247.db2.gz GVQQGTIBZOISRK-SECBINFHSA-N -1 0 304.310 -0.398 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001610565547 1019689404 /nfs/dbraw/zinc/68/94/04/1019689404.db2.gz RGIXAOCQVOTCKV-CQSZACIVSA-N -1 0 308.338 -0.369 20 0 DBADRM Cc1nc(COC(=O)Cn2ncn(C)c2=O)sc1C(=O)[O-] ZINC001610556349 1019689625 /nfs/dbraw/zinc/68/96/25/1019689625.db2.gz ZQKMUHBZDSNHIJ-UHFFFAOYSA-N -1 0 312.307 -0.212 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)n1 ZINC001610564214 1019690159 /nfs/dbraw/zinc/69/01/59/1019690159.db2.gz NWIMVBZQZXTWBV-KCJUWKMLSA-N -1 0 306.322 -0.277 20 0 DBADRM Cc1nnnn1/C(=C\c1ccccc1)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001610574603 1019692068 /nfs/dbraw/zinc/69/20/68/1019692068.db2.gz VZRSMBNEWHXFHO-ZWIPKHHJSA-N -1 0 317.305 -0.459 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001610569709 1019692296 /nfs/dbraw/zinc/69/22/96/1019692296.db2.gz QKCHYFXKOYVFRS-RKDXNWHRSA-N -1 0 303.340 -0.815 20 0 DBADRM Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001610569736 1019692674 /nfs/dbraw/zinc/69/26/74/1019692674.db2.gz RPSGDHOQUCVRCW-PSASIEDQSA-N -1 0 308.338 -0.161 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-])CC2 ZINC001610574090 1019693050 /nfs/dbraw/zinc/69/30/50/1019693050.db2.gz MOABLMRJWRVWJJ-FOGDFJRCSA-N -1 0 308.338 -0.415 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1=O ZINC001610594423 1019694216 /nfs/dbraw/zinc/69/42/16/1019694216.db2.gz NNZWHFKLFUQGSR-XKSSXDPKSA-N -1 0 307.306 -0.189 20 0 DBADRM Cn1cc([C@@H](CO)NS(=O)(=O)CC2(CC(=O)[O-])CC2)cn1 ZINC001610602191 1019694471 /nfs/dbraw/zinc/69/44/71/1019694471.db2.gz UDZGLDAQQGAPGN-SNVBAGLBSA-N -1 0 317.367 -0.372 20 0 DBADRM Cn1c(=O)cc(COC(=O)c2cc(C(=O)[O-])co2)n(C)c1=O ZINC001610598517 1019694535 /nfs/dbraw/zinc/69/45/35/1019694535.db2.gz XJXGEHJVPPAFKX-UHFFFAOYSA-N -1 0 308.246 -0.268 20 0 DBADRM Cc1sc(C(=O)[O-])cc1CN1CCN(CC(N)=O)C(=O)C1 ZINC001610591743 1019694739 /nfs/dbraw/zinc/69/47/39/1019694739.db2.gz YJQQKLQIVAFUNV-UHFFFAOYSA-N -1 0 311.363 -0.116 20 0 DBADRM Cc1occc1CNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001610588308 1019695015 /nfs/dbraw/zinc/69/50/15/1019695015.db2.gz CBJRCHROUHKDTM-GHMZBOCLSA-N -1 0 310.306 -0.502 20 0 DBADRM Cn1c(C=O)c(Br)cc1C(=O)NC[C@H](O)C(=O)[O-] ZINC001610594947 1019695467 /nfs/dbraw/zinc/69/54/67/1019695467.db2.gz WPHHYMOAHKJSLS-QMMMGPOBSA-N -1 0 319.111 -0.225 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c1=O ZINC001610594421 1019696143 /nfs/dbraw/zinc/69/61/43/1019696143.db2.gz NNZWHFKLFUQGSR-QXFUBDJGSA-N -1 0 307.306 -0.189 20 0 DBADRM Cn1ccc(S(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)n1 ZINC001610609273 1019697569 /nfs/dbraw/zinc/69/75/69/1019697569.db2.gz GKRSYNMMSMMBTR-JTQLQIEISA-N -1 0 303.340 -0.734 20 0 DBADRM Cn1ccc(=O)n(CCCNC(=O)C23CC(C(=O)[O-])(C2)C3)c1=O ZINC001610607382 1019697579 /nfs/dbraw/zinc/69/75/79/1019697579.db2.gz YICDNGVNFOSUDS-UHFFFAOYSA-N -1 0 321.333 -0.692 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1=O ZINC001610609268 1019698101 /nfs/dbraw/zinc/69/81/01/1019698101.db2.gz GEWXUSJBYYVOEZ-VIFPVBQESA-N -1 0 323.305 -0.974 20 0 DBADRM Cn1cnc2c1nccc2C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001610611532 1019700486 /nfs/dbraw/zinc/70/04/86/1019700486.db2.gz WOXLEDPZEKAHLS-BDAKNGLRSA-N -1 0 304.306 -0.124 20 0 DBADRM Cn1nc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c2c1CCCC2 ZINC001610612580 1019700575 /nfs/dbraw/zinc/70/05/75/1019700575.db2.gz IVQAKMOWJSCDDJ-LLVKDONJSA-N -1 0 320.349 -0.286 20 0 DBADRM Cn1cnc2c1nccc2C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001610611535 1019700621 /nfs/dbraw/zinc/70/06/21/1019700621.db2.gz WOXLEDPZEKAHLS-RKDXNWHRSA-N -1 0 304.306 -0.124 20 0 DBADRM Cn1cnnc1CNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001610611998 1019700730 /nfs/dbraw/zinc/70/07/30/1019700730.db2.gz MSHBIALWURYHLF-IUCAKERBSA-N -1 0 302.356 -0.122 20 0 DBADRM Cn1cncc1[C@H]1CC(=O)N(CN2CCOC[C@H]2CC(=O)[O-])C1 ZINC001610611627 1019700784 /nfs/dbraw/zinc/70/07/84/1019700784.db2.gz NETNWVQLKNLDFS-NWDGAFQWSA-N -1 0 322.365 -0.131 20 0 DBADRM Cn1nc(Br)cc1C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001610613128 1019701457 /nfs/dbraw/zinc/70/14/57/1019701457.db2.gz ZEDVKSROHVJQCT-VDTYLAMSSA-N -1 0 318.127 -0.157 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCOC1CCC1 ZINC001610613524 1019701318 /nfs/dbraw/zinc/70/13/18/1019701318.db2.gz BOTUCWYUZNVUFZ-UHFFFAOYSA-N -1 0 310.310 -0.258 20 0 DBADRM Cn1cnn(CC(=O)Nc2nnc(CCC(=O)[O-])s2)c1=O ZINC001610611869 1019701575 /nfs/dbraw/zinc/70/15/75/1019701575.db2.gz DKIIEKGHFFTEOO-UHFFFAOYSA-N -1 0 312.311 -0.911 20 0 DBADRM Cn1cnc2c1nccc2C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001610611533 1019701786 /nfs/dbraw/zinc/70/17/86/1019701786.db2.gz WOXLEDPZEKAHLS-DTWKUNHWSA-N -1 0 304.306 -0.124 20 0 DBADRM C/C(=C\C(=O)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001575734626 1019702577 /nfs/dbraw/zinc/70/25/77/1019702577.db2.gz WNCLNWPPFCKDRD-VQHVLOKHSA-N -1 0 323.353 -0.332 20 0 DBADRM Cn1nnc2cc(C(=O)NCCn3cc(C(=O)[O-])nn3)cnc21 ZINC001610617148 1019703448 /nfs/dbraw/zinc/70/34/48/1019703448.db2.gz MXWPEOALSCIPQE-UHFFFAOYSA-N -1 0 316.281 -0.917 20 0 DBADRM Cn1nncc1NC(=O)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001610617852 1019703467 /nfs/dbraw/zinc/70/34/67/1019703467.db2.gz LIYWEAVUVILYRY-VIFPVBQESA-N -1 0 315.289 -0.031 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)OCC(=O)NCCC(=O)[O-])CC2 ZINC001610617220 1019703862 /nfs/dbraw/zinc/70/38/62/1019703862.db2.gz RSXOGLSARKWMMN-QMMMGPOBSA-N -1 0 310.310 -0.946 20 0 DBADRM Cn1ncc2cc(C(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)cnc21 ZINC001610615489 1019704473 /nfs/dbraw/zinc/70/44/73/1019704473.db2.gz VQTQBEKRESSQDR-MNOVXSKESA-N -1 0 304.306 -0.124 20 0 DBADRM NC(=O)[C@H]1CC(C(=O)N[C@@H](CF)C(=O)[O-])=NN1c1ccccc1 ZINC001610634670 1019705663 /nfs/dbraw/zinc/70/56/63/1019705663.db2.gz DHYRNSNSOHPOQN-WDEREUQCSA-N -1 0 322.296 -0.355 20 0 DBADRM NC(=O)NCCCCC(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001610638671 1019708052 /nfs/dbraw/zinc/70/80/52/1019708052.db2.gz VWCRNSDCXNFTKU-ZDUSSCGKSA-N -1 0 301.343 -0.035 20 0 DBADRM NC(=O)N1CCN2C(=O)N(CC3(CC(=O)[O-])CC3)C(=O)[C@@H]2C1 ZINC001610638586 1019709091 /nfs/dbraw/zinc/70/90/91/1019709091.db2.gz HHLFQVCQQCCXKA-QMMMGPOBSA-N -1 0 310.310 -0.732 20 0 DBADRM NC(=O)c1cn(CCCCNC(=O)C23CC(C(=O)[O-])(C2)C3)nn1 ZINC001610639896 1019709427 /nfs/dbraw/zinc/70/94/27/1019709427.db2.gz IWNFYLMCQNUWEB-UHFFFAOYSA-N -1 0 321.337 -0.472 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)o1 ZINC001610647920 1019711329 /nfs/dbraw/zinc/71/13/29/1019711329.db2.gz VHOPCMFEJATDEE-ZETCQYMHSA-N -1 0 318.307 -0.757 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCSC[C@@H](C(=O)[O-])C2)S1 ZINC001610643677 1019711471 /nfs/dbraw/zinc/71/14/71/1019711471.db2.gz UDVNUNNFUOFFCI-BQBZGAKWSA-N -1 0 317.392 -0.181 20 0 DBADRM CC1(C)OCC[C@@H]1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001575752101 1019711867 /nfs/dbraw/zinc/71/18/67/1019711867.db2.gz SVVVAIWJBXAGFW-QMMMGPOBSA-N -1 0 321.345 -0.675 20 0 DBADRM NS(=O)(=O)c1ccc(CCNc2ccnc(C(=O)[O-])n2)cc1 ZINC001610647853 1019712072 /nfs/dbraw/zinc/71/20/72/1019712072.db2.gz QPIGDUCNVSKYLP-UHFFFAOYSA-N -1 0 322.346 -0.101 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)OCC(=O)CCC(=O)[O-] ZINC001610648760 1019712558 /nfs/dbraw/zinc/71/25/58/1019712558.db2.gz LCEBTAVTRILJDH-UHFFFAOYSA-N -1 0 307.266 -0.614 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](CF)C(=O)[O-])c1 ZINC001610646856 1019712574 /nfs/dbraw/zinc/71/25/74/1019712574.db2.gz SXRCEZBEQIFAFE-QMMMGPOBSA-N -1 0 308.262 -0.374 20 0 DBADRM Nc1c(NS(=O)(=O)N2CCOCC2)cccc1C(=O)[O-] ZINC001610649680 1019713200 /nfs/dbraw/zinc/71/32/00/1019713200.db2.gz PYRDGLHYBQCFOO-UHFFFAOYSA-N -1 0 301.324 -0.044 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)CCC(=O)[O-] ZINC001610968780 1019752412 /nfs/dbraw/zinc/75/24/12/1019752412.db2.gz NCCZUHUQTJOXOK-DTWKUNHWSA-N -1 0 301.295 -0.196 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CN1CCOCC1=O)c1ccc(F)cc1 ZINC001610663636 1019714502 /nfs/dbraw/zinc/71/45/02/1019714502.db2.gz ZNRADVNRLQRWHL-GFCCVEGCSA-N -1 0 324.308 -0.031 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCC(=O)N1CCOc2ccccc21 ZINC001610654753 1019714807 /nfs/dbraw/zinc/71/48/07/1019714807.db2.gz OMWYULVYJHADKT-JTQLQIEISA-N -1 0 322.317 -0.246 20 0 DBADRM COC(=O)N1CCCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001610972429 1019752855 /nfs/dbraw/zinc/75/28/55/1019752855.db2.gz MOJVRCVDTOLLQQ-UHFFFAOYSA-N -1 0 308.356 -0.740 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)CCn1ccccc1=O ZINC001610660424 1019715699 /nfs/dbraw/zinc/71/56/99/1019715699.db2.gz BSFWFXPBAZVHFI-NSHDSACASA-N -1 0 304.306 -0.296 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)CCn1ccccc1=O ZINC001610660420 1019715773 /nfs/dbraw/zinc/71/57/73/1019715773.db2.gz BSFWFXPBAZVHFI-LLVKDONJSA-N -1 0 304.306 -0.296 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CN1C(=O)CNC1=O)c1ccc(F)cc1 ZINC001610661993 1019716096 /nfs/dbraw/zinc/71/60/96/1019716096.db2.gz NNTLEUYNIVMIOB-SNVBAGLBSA-N -1 0 323.280 -0.338 20 0 DBADRM O=C(Cn1nnn(C2CC2)c1=O)NC1(C(=O)[O-])CCCCC1 ZINC001610678630 1019716883 /nfs/dbraw/zinc/71/68/83/1019716883.db2.gz HCAFHEIAEMAPJH-UHFFFAOYSA-N -1 0 309.326 -0.322 20 0 DBADRM O=C([O-])C1(NC(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC001610677934 1019717077 /nfs/dbraw/zinc/71/70/77/1019717077.db2.gz PPABZVUBBXZJSU-UHFFFAOYSA-N -1 0 307.310 -0.100 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)Cn1nc(-c2ccccc2)oc1=O ZINC001610678595 1019717343 /nfs/dbraw/zinc/71/73/43/1019717343.db2.gz KMGYEPBDHAXCSZ-VIFPVBQESA-N -1 0 307.262 -0.935 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@H](CO)Cc2ccncc2)nn1 ZINC001610677112 1019717758 /nfs/dbraw/zinc/71/77/58/1019717758.db2.gz IFFJYJGCNDCSMS-JTQLQIEISA-N -1 0 305.294 -0.909 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NCC(=O)NCC1CC1 ZINC001610666526 1019717826 /nfs/dbraw/zinc/71/78/26/1019717826.db2.gz UBXFYCAEBONSEJ-UHFFFAOYSA-N -1 0 319.364 -0.354 20 0 DBADRM O=C([O-])C1(CNC(=O)Cn2ncn3nccc3c2=O)CCCC1 ZINC001610678879 1019717901 /nfs/dbraw/zinc/71/79/01/1019717901.db2.gz NUCBWYVBXXGYDT-UHFFFAOYSA-N -1 0 319.321 -0.348 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1)C1CC1 ZINC001610679178 1019718176 /nfs/dbraw/zinc/71/81/76/1019718176.db2.gz XSUSGOFCMAXJHS-SDDRHHMPSA-N -1 0 319.317 -0.063 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)c1ccccn1 ZINC001610665145 1019718205 /nfs/dbraw/zinc/71/82/05/1019718205.db2.gz CYJJGEZVYXDIFY-NSHDSACASA-N -1 0 317.305 -0.653 20 0 DBADRM O=C(C[C@@H]1NC(=O)NC1=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC001610673038 1019718478 /nfs/dbraw/zinc/71/84/78/1019718478.db2.gz OGZRPNSBUTUVPB-JTQLQIEISA-N -1 0 321.289 -0.522 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCC(=O)NC2CC2)cc1 ZINC001610665863 1019718942 /nfs/dbraw/zinc/71/89/42/1019718942.db2.gz LSKHGCJRJAPKDT-UHFFFAOYSA-N -1 0 305.290 -0.282 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001610695859 1019719741 /nfs/dbraw/zinc/71/97/41/1019719741.db2.gz UDVOOUQSXZWLRM-STQMWFEESA-N -1 0 308.334 -0.551 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@@H]2CCSC2)C1 ZINC001610689778 1019719854 /nfs/dbraw/zinc/71/98/54/1019719854.db2.gz APRJHHNINCWJOD-AEJSXWLSSA-N -1 0 316.379 -0.850 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)c1cccc(O)c1 ZINC001610686943 1019719968 /nfs/dbraw/zinc/71/99/68/1019719968.db2.gz ORHVMYZJGGDKRN-MNOVXSKESA-N -1 0 308.290 -0.832 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NC2CCSCC2)C1 ZINC001610688475 1019720189 /nfs/dbraw/zinc/72/01/89/1019720189.db2.gz YLJZTLNWQVNRNV-WCBMZHEXSA-N -1 0 316.379 -0.708 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCc2ccc(O)cc2)C1 ZINC001610697760 1019720463 /nfs/dbraw/zinc/72/04/63/1019720463.db2.gz YZFWJXXWDFXDSV-CMPLNLGQSA-N -1 0 322.317 -0.698 20 0 DBADRM Cc1ncsc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001611250026 1019758888 /nfs/dbraw/zinc/75/88/88/1019758888.db2.gz UYUUMQQYXAFFAL-SSDOTTSWSA-N -1 0 304.349 -0.225 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(C(=O)C(=O)NCCn1ccnc1)CC2 ZINC001610695803 1019720919 /nfs/dbraw/zinc/72/09/19/1019720919.db2.gz QTDHKYBBMPGORI-NSHDSACASA-N -1 0 320.349 -0.287 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001610683747 1019721132 /nfs/dbraw/zinc/72/11/32/1019721132.db2.gz ZKDWONVBDPKMLB-JTQLQIEISA-N -1 0 306.274 -0.485 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)C(=O)NCC3CC3)CC2)nn1 ZINC001610691325 1019721153 /nfs/dbraw/zinc/72/11/53/1019721153.db2.gz AECDKOSLVRCASQ-UHFFFAOYSA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC001610716536 1019722617 /nfs/dbraw/zinc/72/26/17/1019722617.db2.gz YOBMOMWGQSXISG-ZJUUUORDSA-N -1 0 310.306 -0.164 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(S(=O)(=O)CC[C@H]2CCOC2)CC1 ZINC001610724167 1019722636 /nfs/dbraw/zinc/72/26/36/1019722636.db2.gz RULZTPYCEXSHBN-PWSUYJOCSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC001610724122 1019722695 /nfs/dbraw/zinc/72/26/95/1019722695.db2.gz QIPUNLNHXFJUSR-NSHDSACASA-N -1 0 300.336 -0.072 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(C(=O)C(=O)NCc1cccnn1)CC2 ZINC001610698440 1019722802 /nfs/dbraw/zinc/72/28/02/1019722802.db2.gz UYJNEDVAQGFUCI-LLVKDONJSA-N -1 0 318.333 -0.194 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)c1cc2n(n1)CCCO2 ZINC001610701264 1019723385 /nfs/dbraw/zinc/72/33/85/1019723385.db2.gz CPRSKWCJDJJJBX-JTQLQIEISA-N -1 0 305.294 -0.186 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)c1 ZINC001610703512 1019723565 /nfs/dbraw/zinc/72/35/65/1019723565.db2.gz AWTUYESYGDIIIK-YUMQZZPRSA-N -1 0 314.319 -0.661 20 0 DBADRM O=C([O-])[C@@H](CF)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001610715706 1019724159 /nfs/dbraw/zinc/72/41/59/1019724159.db2.gz GCPSQTAXVLQPJT-MRVPVSSYSA-N -1 0 303.271 -0.031 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)[C@]2(C)CCC(=O)N2)c1[O-] ZINC001575783569 1019724517 /nfs/dbraw/zinc/72/45/17/1019724517.db2.gz DLTGANCVFBAFLJ-AWEZNQCLSA-N -1 0 323.353 -0.671 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001610732017 1019725026 /nfs/dbraw/zinc/72/50/26/1019725026.db2.gz TYJNZLHNDKGCSA-XRNSZHNASA-N -1 0 322.321 -0.801 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1cccn2c(=O)[nH]nc12 ZINC001610732032 1019725271 /nfs/dbraw/zinc/72/52/71/1019725271.db2.gz BKIHJDSKYKVRQX-BDAKNGLRSA-N -1 0 306.278 -0.515 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1S(=O)(=O)c1cnc2n1CCC2 ZINC001610736361 1019726297 /nfs/dbraw/zinc/72/62/97/1019726297.db2.gz ORLJJGUEQVKOBS-KWQFWETISA-N -1 0 315.351 -0.572 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1cccn2c(=O)[nH]nc12 ZINC001610732033 1019726656 /nfs/dbraw/zinc/72/66/56/1019726656.db2.gz BKIHJDSKYKVRQX-DTWKUNHWSA-N -1 0 306.278 -0.515 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(S(=O)(=O)CC[C@@H]2CCCO2)C1 ZINC001610734153 1019726848 /nfs/dbraw/zinc/72/68/48/1019726848.db2.gz AFLCHROPHUCUEI-VWYCJHECSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)NCc2noc(C3CC3)n2)C1 ZINC001610738563 1019727288 /nfs/dbraw/zinc/72/72/88/1019727288.db2.gz PEYPZEFXEDPNDM-IUCAKERBSA-N -1 0 310.310 -0.076 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N(Cc3nnnn3C3CC3)C(=O)[C@H]2C1 ZINC001610745142 1019728645 /nfs/dbraw/zinc/72/86/45/1019728645.db2.gz CUCXVNJFIFTQAO-VXNVDRBHSA-N -1 0 320.309 -0.365 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)C[C@H]2CCS(=O)(=O)C2)CCOC1 ZINC001610755642 1019729027 /nfs/dbraw/zinc/72/90/27/1019729027.db2.gz FJYQETCFOOQGET-BXKDBHETSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)NC1COCCOC1 ZINC001610743677 1019729234 /nfs/dbraw/zinc/72/92/34/1019729234.db2.gz KYPADCDGHMNBAV-QWRGUYRKSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)C[C@@H]2CCCS(=O)(=O)C2)CCOC1 ZINC001610755708 1019730263 /nfs/dbraw/zinc/73/02/63/1019730263.db2.gz JKYTZHYOSNMPQE-GWCFXTLKSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)CCO1 ZINC001610762385 1019731193 /nfs/dbraw/zinc/73/11/93/1019731193.db2.gz DSEXDLRNDJUENA-NOOOWODRSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CSc1nncs1 ZINC001610759687 1019731281 /nfs/dbraw/zinc/73/12/81/1019731281.db2.gz CMZJKLWPIYLHEP-ZCFIWIBFSA-N -1 0 316.364 -0.568 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCc2cccc(O)c2)CCO1 ZINC001610762632 1019731321 /nfs/dbraw/zinc/73/13/21/1019731321.db2.gz GDXJIAJOCNLMPM-GFCCVEGCSA-N -1 0 322.317 -0.290 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1noc2c1CCCC2 ZINC001610761682 1019731740 /nfs/dbraw/zinc/73/17/40/1019731740.db2.gz IVYXHNOZTDFBCX-SECBINFHSA-N -1 0 307.306 -0.031 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)CC(=O)NCC(F)(F)F)CCOC1 ZINC001610755808 1019731988 /nfs/dbraw/zinc/73/19/88/1019731988.db2.gz PYZXSFWYUIDIKE-SNVBAGLBSA-N -1 0 312.244 -0.195 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)CC[C@H]2NC(=O)NC2=O)CCCOC1 ZINC001610755651 1019732134 /nfs/dbraw/zinc/73/21/34/1019732134.db2.gz FZTBUQZFHDEFDK-AMIZOPFISA-N -1 0 313.310 -0.885 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)c2cccn3c(=O)[nH]nc23)CCO1 ZINC001610764119 1019733577 /nfs/dbraw/zinc/73/35/77/1019733577.db2.gz HCXKMZLBSGWWGZ-MRVPVSSYSA-N -1 0 306.278 -0.249 20 0 DBADRM O=C([O-])CCCc1nc(CN2C(=O)N[C@@]3(CCOC3)C2=O)no1 ZINC001610772836 1019733929 /nfs/dbraw/zinc/73/39/29/1019733929.db2.gz RHMXDIHULTXJAP-CYBMUJFWSA-N -1 0 324.293 -0.312 20 0 DBADRM O=C([O-])CCCc1nc(CN2C(=O)N[C@]3(CCOC3)C2=O)no1 ZINC001610772837 1019734749 /nfs/dbraw/zinc/73/47/49/1019734749.db2.gz RHMXDIHULTXJAP-ZDUSSCGKSA-N -1 0 324.293 -0.312 20 0 DBADRM O=C([O-])CCc1nc(COC(=O)CO[C@@H]2CCOC2)no1 ZINC001610778814 1019735169 /nfs/dbraw/zinc/73/51/69/1019735169.db2.gz NDJVAYCRYRKAAG-MRVPVSSYSA-N -1 0 300.267 -0.065 20 0 DBADRM O=C([O-])CSCCNC(=O)NCC1(N2CCOCC2)CC1 ZINC001610790691 1019736754 /nfs/dbraw/zinc/73/67/54/1019736754.db2.gz XFHYPWBKDHKNFG-UHFFFAOYSA-N -1 0 317.411 -0.032 20 0 DBADRM O=C([O-])COCC(=O)OCCc1nnnn1-c1ccccc1 ZINC001610785707 1019737314 /nfs/dbraw/zinc/73/73/14/1019737314.db2.gz WHOLSNDBDNPBNC-UHFFFAOYSA-N -1 0 306.278 -0.151 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1 ZINC001610782096 1019737513 /nfs/dbraw/zinc/73/75/13/1019737513.db2.gz WJTJSDNTMRPKGO-NSHDSACASA-N -1 0 319.317 -0.183 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)C1(S(=O)(=O)c2ccccc2)CC1 ZINC001610801177 1019738902 /nfs/dbraw/zinc/73/89/02/1019738902.db2.gz QAQLEMKXPSKZLS-JTQLQIEISA-N -1 0 313.331 -0.445 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(-n2cccn2)n1 ZINC001610802659 1019739502 /nfs/dbraw/zinc/73/95/02/1019739502.db2.gz RPWFZGBNISKRCM-KOLCDFICSA-N -1 0 302.290 -0.073 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@@H]2CC(c3cccnc3)=NO2)n[nH]1 ZINC001610797983 1019740444 /nfs/dbraw/zinc/74/04/44/1019740444.db2.gz WJWGDVOPSZLNJV-VIFPVBQESA-N -1 0 316.277 -0.042 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CN1CCc2ccccc2C1=O ZINC001610802570 1019740495 /nfs/dbraw/zinc/74/04/95/1019740495.db2.gz LFXZFJSEAWAZOZ-YPMHNXCESA-N -1 0 318.329 -0.269 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)NCCN2C(=O)CCC2=O)n1 ZINC001610795447 1019740825 /nfs/dbraw/zinc/74/08/25/1019740825.db2.gz NXOHVNXRFJYYAU-UHFFFAOYSA-N -1 0 320.305 -0.021 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@@H]2CCc3ncncc3C2)nn1 ZINC001610859047 1019742280 /nfs/dbraw/zinc/74/22/80/1019742280.db2.gz IXALTQUGTAATBY-SECBINFHSA-N -1 0 316.321 -0.312 20 0 DBADRM O=C([O-])c1ccc(N2CCN(C(=O)N3CCOCC3)CC2)nn1 ZINC001610833675 1019742313 /nfs/dbraw/zinc/74/23/13/1019742313.db2.gz UDYBKPYEUKULKK-UHFFFAOYSA-N -1 0 321.337 -0.251 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)nn1 ZINC001610858813 1019743618 /nfs/dbraw/zinc/74/36/18/1019743618.db2.gz DVEJRJFUSWKQPI-PBINXNQUSA-N -1 0 322.321 -0.666 20 0 DBADRM O=C([O-])c1cnc(NCCS(=O)(=O)N2CCOCC2)nc1 ZINC001610863232 1019746938 /nfs/dbraw/zinc/74/69/38/1019746938.db2.gz CADDUDIYQQLZFE-UHFFFAOYSA-N -1 0 316.339 -0.751 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CC(=O)NC1=O)c1cccc(O)c1 ZINC001610885995 1019748102 /nfs/dbraw/zinc/74/81/02/1019748102.db2.gz NJYFSHMDZBPIAT-LLVKDONJSA-N -1 0 307.262 -0.814 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)CCC1 ZINC001610886049 1019748151 /nfs/dbraw/zinc/74/81/51/1019748151.db2.gz BZQIFMFLAPKSOO-VIFPVBQESA-N -1 0 317.367 -0.720 20 0 DBADRM O=C([O-])c1cncc(C(=O)N[C@H](CO)CN2CCOCC2)c1 ZINC001610862172 1019748218 /nfs/dbraw/zinc/74/82/18/1019748218.db2.gz QPIAOAZMFDCXFQ-LBPRGKRZSA-N -1 0 309.322 -0.797 20 0 DBADRM O=Cc1ccccc1OCC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001610886198 1019748235 /nfs/dbraw/zinc/74/82/35/1019748235.db2.gz AAKCCDNDPOUQHN-UHFFFAOYSA-N -1 0 318.289 -0.016 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001610887224 1019749777 /nfs/dbraw/zinc/74/97/77/1019749777.db2.gz NSYCMFXKRBMRHG-KOLCDFICSA-N -1 0 321.289 -0.537 20 0 DBADRM CN(C)c1ncc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])s1 ZINC001610904650 1019751089 /nfs/dbraw/zinc/75/10/89/1019751089.db2.gz LRWNOHCESINKFL-SECBINFHSA-N -1 0 319.408 -0.107 20 0 DBADRM COC(=O)[C@@H]1CC12CCN(CCS(=O)(=O)CC(=O)[O-])CC2 ZINC001610964682 1019751866 /nfs/dbraw/zinc/75/18/66/1019751866.db2.gz FEARFVZVGRLPMM-JTQLQIEISA-N -1 0 319.379 -0.239 20 0 DBADRM COC(=O)c1ccoc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001610981582 1019752128 /nfs/dbraw/zinc/75/21/28/1019752128.db2.gz UKDYNZJWIJMNGX-SECBINFHSA-N -1 0 317.319 -0.250 20 0 DBADRM CNC(=O)c1cccc(CCNC(=O)C(=O)NCCC(=O)[O-])c1 ZINC001610960120 1019753237 /nfs/dbraw/zinc/75/32/37/1019753237.db2.gz BOAKYWJIADZSMF-UHFFFAOYSA-N -1 0 321.333 -0.704 20 0 DBADRM CN(CCc1ccncc1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001610939043 1019753769 /nfs/dbraw/zinc/75/37/69/1019753769.db2.gz LXZNIOIJCXTJJS-GFCCVEGCSA-N -1 0 321.333 -0.606 20 0 DBADRM CN(CCc1ccncc1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001610939044 1019754152 /nfs/dbraw/zinc/75/41/52/1019754152.db2.gz LXZNIOIJCXTJJS-LBPRGKRZSA-N -1 0 321.333 -0.606 20 0 DBADRM COC(=O)c1c(F)cc(NC(=O)C(=O)NCC(=O)[O-])cc1F ZINC001610972621 1019754300 /nfs/dbraw/zinc/75/43/00/1019754300.db2.gz ZQPMOCAVAFGEAP-UHFFFAOYSA-N -1 0 316.216 -0.109 20 0 DBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC001610986330 1019754348 /nfs/dbraw/zinc/75/43/48/1019754348.db2.gz XGXYMXVVECIXGG-QMMMGPOBSA-N -1 0 324.293 -0.779 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cn(C)nc1C(F)(F)F)C(=O)[O-] ZINC001611104192 1019756107 /nfs/dbraw/zinc/75/61/07/1019756107.db2.gz RMPUWJIRJPAJIX-BYPYZUCNSA-N -1 0 308.216 -0.033 20 0 DBADRM CS(=O)(=O)Cc1noc(NC(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC001611078476 1019756405 /nfs/dbraw/zinc/75/64/05/1019756405.db2.gz VVTDTXBNRYLASY-LURJTMIESA-N -1 0 318.311 -0.305 20 0 DBADRM COCC[C@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001611000445 1019756999 /nfs/dbraw/zinc/75/69/99/1019756999.db2.gz ONUJYQFEVJDKES-SECBINFHSA-N -1 0 310.306 -0.163 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC001611125581 1019757590 /nfs/dbraw/zinc/75/75/90/1019757590.db2.gz XNHZXEABCWJWIY-JTQLQIEISA-N -1 0 307.306 -0.292 20 0 DBADRM Cc1cnn([C@@H]2CCN(CCS(=O)(=O)CC(=O)[O-])C2)c1 ZINC001611221875 1019757894 /nfs/dbraw/zinc/75/78/94/1019757894.db2.gz TUCQMYWDEWXKBX-LLVKDONJSA-N -1 0 301.368 -0.062 20 0 DBADRM Cc1cnn([C@H]2CCN(CCS(=O)(=O)CC(=O)[O-])C2)c1 ZINC001611221876 1019758541 /nfs/dbraw/zinc/75/85/41/1019758541.db2.gz TUCQMYWDEWXKBX-NSHDSACASA-N -1 0 301.368 -0.062 20 0 DBADRM Cc1c(NC(=O)C(=O)NCC(=O)[O-])cccc1N1CCNC1=O ZINC001611122548 1019759539 /nfs/dbraw/zinc/75/95/39/1019759539.db2.gz UADJGJCHRCSQSB-UHFFFAOYSA-N -1 0 320.305 -0.336 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCCC(=O)NCc2ccccn2)C1 ZINC001611318544 1019760552 /nfs/dbraw/zinc/76/05/52/1019760552.db2.gz XHUHQYUVQVIBTB-NSHDSACASA-N -1 0 320.305 -0.566 20 0 DBADRM O=C(CN1CCS(=O)(=O)C[C@H]1C(=O)[O-])NCC1CCC1 ZINC001611322627 1019760902 /nfs/dbraw/zinc/76/09/02/1019760902.db2.gz MUGZEOFFVBMENB-JTQLQIEISA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccc3ncnn3c2)C1 ZINC001611349522 1019761188 /nfs/dbraw/zinc/76/11/88/1019761188.db2.gz JKVDZIWSMFIZBM-MRVPVSSYSA-N -1 0 303.278 -0.399 20 0 DBADRM Cn1nncc1NC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001611291059 1019761314 /nfs/dbraw/zinc/76/13/14/1019761314.db2.gz HRDGSKOSUYWYCJ-SECBINFHSA-N -1 0 309.326 -0.143 20 0 DBADRM Nc1nccc([C@@H]2CCCN(C(=O)[C@@H]3CC(C(=O)[O-])=NO3)C2)n1 ZINC001611313695 1019761745 /nfs/dbraw/zinc/76/17/45/1019761745.db2.gz IAKJFNWQYDBZRO-KCJUWKMLSA-N -1 0 319.321 -0.006 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CN2CCc3ccccc3C2=O)CCO1 ZINC001611391773 1019764125 /nfs/dbraw/zinc/76/41/25/1019764125.db2.gz NDCMHMBLDGOAGQ-ZDUSSCGKSA-N -1 0 318.329 -0.003 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)CCO1 ZINC001611391794 1019764743 /nfs/dbraw/zinc/76/47/43/1019764743.db2.gz VFDTZYSMDLFXDY-DCAQKATOSA-N -1 0 311.338 -0.365 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)C1 ZINC001611369634 1019765067 /nfs/dbraw/zinc/76/50/67/1019765067.db2.gz BDZYJUHLMMMMRZ-HTQZYQBOSA-N -1 0 306.265 -0.852 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCCN(CC(F)F)CC1 ZINC001611443211 1019765544 /nfs/dbraw/zinc/76/55/44/1019765544.db2.gz HGTDPOWEPGLQDT-UHFFFAOYSA-N -1 0 307.297 -0.623 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1C(=O)C[C@@]2(CCSC2)C1=O ZINC001611488532 1019765747 /nfs/dbraw/zinc/76/57/47/1019765747.db2.gz MHPIIFATKSAMMA-LLVKDONJSA-N -1 0 321.376 -0.632 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC001611443234 1019766608 /nfs/dbraw/zinc/76/66/08/1019766608.db2.gz IREZOZFJDBKTNG-RNCFNFMXSA-N -1 0 316.379 -0.252 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC001611443217 1019766982 /nfs/dbraw/zinc/76/69/82/1019766982.db2.gz HOELEGYNFAQFHH-SNVBAGLBSA-N -1 0 321.337 -0.848 20 0 DBADRM O=C([O-])CCCCCNC(=O)C(=O)N1CCn2ncnc2C1 ZINC001611430207 1019767899 /nfs/dbraw/zinc/76/78/99/1019767899.db2.gz HYUPZQIPSWUHMZ-UHFFFAOYSA-N -1 0 309.326 -0.619 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001506160880 1019769259 /nfs/dbraw/zinc/76/92/59/1019769259.db2.gz DMBSSIVWVQBDRO-RKDXNWHRSA-N -1 0 323.353 -0.500 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)C(=O)N2CCNC(=O)CC2)c1 ZINC001611572295 1019769603 /nfs/dbraw/zinc/76/96/03/1019769603.db2.gz OXKUNSLAHXOWKM-UHFFFAOYSA-N -1 0 319.317 -0.651 20 0 DBADRM O=C(NCCCNC(=O)C1(C2CC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001575930264 1019770297 /nfs/dbraw/zinc/77/02/97/1019770297.db2.gz OHBLXXRBDHEXFX-UHFFFAOYSA-N -1 0 321.337 -0.291 20 0 DBADRM COC1CC(C(=O)NCCCNC(=O)c2cnc[nH]c2=O)C1 ZINC001575929283 1019771517 /nfs/dbraw/zinc/77/15/17/1019771517.db2.gz AJMVRZYFIAIMMI-UHFFFAOYSA-N -1 0 308.338 -0.157 20 0 DBADRM CCS(=O)(=O)c1cccc(C(=O)NCC(=O)[N-]OC)c1 ZINC001616311750 1019777925 /nfs/dbraw/zinc/77/79/25/1019777925.db2.gz VKLMQSRLOBGTRW-UHFFFAOYSA-N -1 0 300.336 -0.112 20 0 DBADRM O=C(c1ccc2nc[nH]c2n1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001617702896 1019785708 /nfs/dbraw/zinc/78/57/08/1019785708.db2.gz GJDHTTJZMJZHHX-UHFFFAOYSA-N -1 0 314.309 -0.405 20 0 DBADRM O=C(c1cnn2ccncc12)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001617702679 1019786965 /nfs/dbraw/zinc/78/69/65/1019786965.db2.gz DBYWPFCOUPSLEO-UHFFFAOYSA-N -1 0 314.309 -0.634 20 0 DBADRM O=C(/C=C/C1CCOCC1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001617703946 1019790778 /nfs/dbraw/zinc/79/07/78/1019790778.db2.gz ZEPJECQZHQJXRW-OWOJBTEDSA-N -1 0 307.354 -0.008 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC001618148748 1019791907 /nfs/dbraw/zinc/79/19/07/1019791907.db2.gz TZIFQVDGHAOJEV-NSHDSACASA-N -1 0 319.317 -0.701 20 0 DBADRM CC[C@H](C)C(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001506258579 1019805596 /nfs/dbraw/zinc/80/55/96/1019805596.db2.gz CXTIPPIQEQNNOH-ZETCQYMHSA-N -1 0 309.326 -0.388 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001576124964 1019812608 /nfs/dbraw/zinc/81/26/08/1019812608.db2.gz CNZUHHFITHEUFA-YUMQZZPRSA-N -1 0 319.325 -0.566 20 0 DBADRM CCC(=O)N[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001576445106 1019849976 /nfs/dbraw/zinc/84/99/76/1019849976.db2.gz OYSFGNAVXKEVRG-BDAKNGLRSA-N -1 0 318.341 -0.878 20 0 DBADRM CCC(=O)NCCN(CCOC)c1ccnc(-c2nnn[n-]2)n1 ZINC001576487163 1019855460 /nfs/dbraw/zinc/85/54/60/1019855460.db2.gz NTZMEYFCZQHKFS-UHFFFAOYSA-N -1 0 320.357 -0.364 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1cc(-c2nnn[n-]2)nn1)C(=O)OC ZINC001576610493 1019871645 /nfs/dbraw/zinc/87/16/45/1019871645.db2.gz JMNJYIVACCOOAT-XVKPBYJWSA-N -1 0 322.329 -0.838 20 0 DBADRM CC[C@H](C)CCNC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576653184 1019875918 /nfs/dbraw/zinc/87/59/18/1019875918.db2.gz ZXISDARQVCMXLM-QMMMGPOBSA-N -1 0 321.341 -0.319 20 0 DBADRM CCC(CC)[C@@H](O)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001576745678 1019885798 /nfs/dbraw/zinc/88/57/98/1019885798.db2.gz JHLHHEDVLGVNAN-QMMMGPOBSA-N -1 0 323.357 -0.125 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C/C=C/Cl)C1 ZINC001506672806 1019886881 /nfs/dbraw/zinc/88/68/81/1019886881.db2.gz VVHVUBVEHMWESE-SGJFDWMWSA-N -1 0 315.761 -0.122 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)N3CCC[C@H](c4nnn[n-]4)C3)cc2CN1 ZINC001576871548 1019914163 /nfs/dbraw/zinc/91/41/63/1019914163.db2.gz FPWZVONFMKYALJ-ZJUUUORDSA-N -1 0 316.369 -0.092 20 0 DBADRM CC[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)COC ZINC001576883499 1019925230 /nfs/dbraw/zinc/92/52/30/1019925230.db2.gz HYSNFSDAIKSGTN-MRVPVSSYSA-N -1 0 321.341 -0.534 20 0 DBADRM CCC(O)(CC)CN(C)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001576999337 1019976695 /nfs/dbraw/zinc/97/66/95/1019976695.db2.gz PVFLCWHAEILCCU-UHFFFAOYSA-N -1 0 323.357 -0.759 20 0 DBADRM CC[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)c1ncc[nH]1 ZINC001576999339 1019976954 /nfs/dbraw/zinc/97/69/54/1019976954.db2.gz PZPWRXYOQSBDQF-ZCFIWIBFSA-N -1 0 317.313 -0.048 20 0 DBADRM CC[C@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@H]1C ZINC001577159727 1020015071 /nfs/dbraw/zinc/01/50/71/1020015071.db2.gz ARTBSKMRUHSOGH-IUCAKERBSA-N -1 0 319.369 -0.111 20 0 DBADRM CN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C(C)(C)C ZINC001577239931 1020038405 /nfs/dbraw/zinc/03/84/05/1020038405.db2.gz XRDNBMTVVPOFKV-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM CCC[C@@H](CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1)OC ZINC001577326973 1020054500 /nfs/dbraw/zinc/05/45/00/1020054500.db2.gz XDTIJJZLSMGWGY-VIFPVBQESA-N -1 0 323.361 -0.428 20 0 DBADRM CCCC[C@@H](O)CCC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001577491580 1020071610 /nfs/dbraw/zinc/07/16/10/1020071610.db2.gz RVBMOONHVYXDPN-SNVBAGLBSA-N -1 0 322.373 -0.094 20 0 DBADRM CCCN(CCNC(=O)COC)c1cncc(-c2nn[nH]n2)n1 ZINC001577609121 1020085353 /nfs/dbraw/zinc/08/53/53/1020085353.db2.gz NOAQXPVDUOEWJT-UHFFFAOYSA-N -1 0 320.357 -0.364 20 0 DBADRM C[C@H](C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)n1cccc1 ZINC001507189032 1020153096 /nfs/dbraw/zinc/15/30/96/1020153096.db2.gz NNGZLAPVOSNCEC-ZJUUUORDSA-N -1 0 308.342 -0.860 20 0 DBADRM Cc1conc1CN[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001507190281 1020154597 /nfs/dbraw/zinc/15/45/97/1020154597.db2.gz TUQRTYBRUMUJPD-VIFPVBQESA-N -1 0 309.326 -0.399 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)N[C@@H](CO)c1cn[nH]n1 ZINC001577959639 1020155705 /nfs/dbraw/zinc/15/57/05/1020155705.db2.gz XDEWCWUHFYMWNM-YFKPBYRVSA-N -1 0 318.409 -0.113 20 0 DBADRM CCOCC(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001578354379 1020218147 /nfs/dbraw/zinc/21/81/47/1020218147.db2.gz BNZJJJALNDSXPR-RKDXNWHRSA-N -1 0 320.357 -0.580 20 0 DBADRM CCOCC(=O)N[C@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001578364749 1020221741 /nfs/dbraw/zinc/22/17/41/1020221741.db2.gz GBVHHYXVLBMLJF-JTQLQIEISA-N -1 0 317.353 -0.007 20 0 DBADRM CCOCC(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001578365253 1020222801 /nfs/dbraw/zinc/22/28/01/1020222801.db2.gz XHSZELHSTDAZJY-MRVPVSSYSA-N -1 0 321.341 -0.534 20 0 DBADRM CCOCC(=O)NC[C@@H](CC)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001578359127 1020223008 /nfs/dbraw/zinc/22/30/08/1020223008.db2.gz YIHQULWURQCSKP-SECBINFHSA-N -1 0 320.357 -0.578 20 0 DBADRM CCS(=O)(=O)CC(=O)Nc1c(-c2nn[nH]n2)c(C)nn1C ZINC001578411755 1020231252 /nfs/dbraw/zinc/23/12/52/1020231252.db2.gz USLWJAWOPWHUIT-UHFFFAOYSA-N -1 0 313.343 -0.718 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)c2cc(-c3nn[nH]n3)[nH]c2C)C1 ZINC001578407966 1020231612 /nfs/dbraw/zinc/23/16/12/1020231612.db2.gz GTQDQFVBORMSSB-UHFFFAOYSA-N -1 0 324.366 -0.238 20 0 DBADRM Cc1ccc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001507253773 1020246853 /nfs/dbraw/zinc/24/68/53/1020246853.db2.gz MPJLJWAQEMCXOY-LLVKDONJSA-N -1 0 305.338 -0.301 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCc2nnc(C)o2)c1=O ZINC001578735929 1020286457 /nfs/dbraw/zinc/28/64/57/1020286457.db2.gz IBRQWKOKXQSEGE-UHFFFAOYSA-N -1 0 318.297 -0.856 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2CCCC[C@H]2O)c1=O ZINC001578736120 1020286524 /nfs/dbraw/zinc/28/65/24/1020286524.db2.gz QOSSQLAMLNPYRD-GXSJLCMTSA-N -1 0 320.353 -0.239 20 0 DBADRM CN(CCNC(=O)[C@@H]1CC1(F)F)c1cnc(-c2nn[nH]n2)cn1 ZINC001579166270 1020383033 /nfs/dbraw/zinc/38/30/33/1020383033.db2.gz AZDZZJBGLFQIPP-ZETCQYMHSA-N -1 0 324.295 -0.136 20 0 DBADRM CN(CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1ncccn1 ZINC001579193196 1020389682 /nfs/dbraw/zinc/38/96/82/1020389682.db2.gz JYHOMQXMUDETDH-UHFFFAOYSA-N -1 0 313.325 -0.149 20 0 DBADRM CN(CCNC(=O)c1cn[nH]c1)c1cnc(-c2nn[nH]n2)cn1 ZINC001579201581 1020389760 /nfs/dbraw/zinc/38/97/60/1020389760.db2.gz SOCHMZGWKFFZNS-UHFFFAOYSA-N -1 0 314.313 -0.754 20 0 DBADRM CN(CCNC(=O)c1cocn1)c1ccc(-c2nn[nH]n2)nn1 ZINC001579202967 1020390676 /nfs/dbraw/zinc/39/06/76/1020390676.db2.gz DGQPOSRISUUQSP-UHFFFAOYSA-N -1 0 315.297 -0.489 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)c1cnco1 ZINC001579214714 1020393500 /nfs/dbraw/zinc/39/35/00/1020393500.db2.gz MWKRMSZMJKATSZ-UHFFFAOYSA-N -1 0 315.297 -0.749 20 0 DBADRM CNC(=O)CNC(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001579396805 1020439822 /nfs/dbraw/zinc/43/98/22/1020439822.db2.gz TYIQROGVSFFCMZ-UHFFFAOYSA-N -1 0 316.734 -0.156 20 0 DBADRM COC(=O)C1(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC1 ZINC001579438870 1020457029 /nfs/dbraw/zinc/45/70/29/1020457029.db2.gz ULYUFPHADLGOHZ-UHFFFAOYSA-N -1 0 321.297 -0.969 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)C1(C2CC2)CC1 ZINC001507649305 1020460571 /nfs/dbraw/zinc/46/05/71/1020460571.db2.gz NMPYKMSCHCUREW-NSHDSACASA-N -1 0 323.397 -0.048 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001579474417 1020471882 /nfs/dbraw/zinc/47/18/82/1020471882.db2.gz AZGDJMPGWRWQGU-PRJMDXOYSA-N -1 0 320.313 -0.913 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)[C@H]1CC12CCC2 ZINC001507704698 1020474419 /nfs/dbraw/zinc/47/44/19/1020474419.db2.gz CFZJWONSQUUMNS-WDEREUQCSA-N -1 0 323.397 -0.048 20 0 DBADRM CO[C@@H](C)C(=O)N1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001579540478 1020485576 /nfs/dbraw/zinc/48/55/76/1020485576.db2.gz QYHPIMSXVADXGD-VIFPVBQESA-N -1 0 318.341 -0.660 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001579543879 1020485743 /nfs/dbraw/zinc/48/57/43/1020485743.db2.gz CLFGWTROGZDDRM-VHSXEESVSA-N -1 0 317.353 -0.009 20 0 DBADRM CO[C@](C)(CO)CNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579533679 1020486508 /nfs/dbraw/zinc/48/65/08/1020486508.db2.gz LQVUQMLPNWJQIO-ZDUSSCGKSA-N -1 0 322.325 -0.597 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001579562918 1020495863 /nfs/dbraw/zinc/49/58/63/1020495863.db2.gz ZBZBNIKRTLHHOM-IUCAKERBSA-N -1 0 320.357 -0.002 20 0 DBADRM COCC(=O)N(C)[C@H](C)CNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001579617730 1020500785 /nfs/dbraw/zinc/50/07/85/1020500785.db2.gz GENQOYZLWZAPDA-SECBINFHSA-N -1 0 320.357 -0.130 20 0 DBADRM COCC(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579617442 1020503102 /nfs/dbraw/zinc/50/31/02/1020503102.db2.gz DAOPQSRDLHAUQI-MRVPVSSYSA-N -1 0 321.341 -0.582 20 0 DBADRM COCC(=O)N1C[C@H](Nc2ccc(-c3nn[nH]n3)nn2)[C@@H](C)C1 ZINC001579623415 1020504942 /nfs/dbraw/zinc/50/49/42/1020504942.db2.gz GQXPLXFVKLCPLK-WPRPVWTQSA-N -1 0 318.341 -0.438 20 0 DBADRM COCC(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579623204 1020506265 /nfs/dbraw/zinc/50/62/65/1020506265.db2.gz GKSDPZRNGKZOCP-UHFFFAOYSA-N -1 0 321.341 -0.628 20 0 DBADRM COCC(=O)N(CCO)CCNc1ncccc1-c1nn[nH]n1 ZINC001579623494 1020507314 /nfs/dbraw/zinc/50/73/14/1020507314.db2.gz IMDIOMJTGCARAK-UHFFFAOYSA-N -1 0 321.341 -0.859 20 0 DBADRM CC(=O)NCC(=O)N[C@H](C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001508054437 1020519028 /nfs/dbraw/zinc/51/90/28/1020519028.db2.gz HNROXPQEQZSJRF-SECBINFHSA-N -1 0 324.385 -0.637 20 0 DBADRM COCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579636938 1020522477 /nfs/dbraw/zinc/52/24/77/1020522477.db2.gz YGIXLZHBVJDKJG-SECBINFHSA-N -1 0 318.341 -0.612 20 0 DBADRM COC[C@H](CCO)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579697824 1020535414 /nfs/dbraw/zinc/53/54/14/1020535414.db2.gz RSGRMRFFAOVLGA-QMMMGPOBSA-N -1 0 322.325 -0.597 20 0 DBADRM COC[C@H](NC(=O)c1sccc1-c1nn[nH]n1)c1nnn[n-]1 ZINC001579700172 1020537287 /nfs/dbraw/zinc/53/72/87/1020537287.db2.gz PVHULQZOWCVOEN-LURJTMIESA-N -1 0 321.326 -0.441 20 0 DBADRM COCC[C@@H](CO)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579776148 1020555789 /nfs/dbraw/zinc/55/57/89/1020555789.db2.gz IXKBQMQTYIALEJ-QMMMGPOBSA-N -1 0 322.325 -0.597 20 0 DBADRM CNC(=O)C1(C(=O)NC[C@H](C)NC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001579800837 1020558548 /nfs/dbraw/zinc/55/85/48/1020558548.db2.gz ASQPAHVFOFFVOT-ZETCQYMHSA-N -1 0 323.353 -0.816 20 0 DBADRM COCCN1C[C@H](C(=O)Nc2c[nH]nc2-c2nnn[n-]2)CC1=O ZINC001579813736 1020563657 /nfs/dbraw/zinc/56/36/57/1020563657.db2.gz JUAOFJBCVDQDGP-SSDOTTSWSA-N -1 0 320.313 -0.977 20 0 DBADRM C=C/C(C)=C\CC(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001579847838 1020569190 /nfs/dbraw/zinc/56/91/90/1020569190.db2.gz XTKWZJQBHHMGGJ-HYHWUIIZSA-N -1 0 323.353 -0.167 20 0 DBADRM CON(C)C1CN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579848518 1020571903 /nfs/dbraw/zinc/57/19/03/1020571903.db2.gz YAJCBRFJNMYWNT-GFCCVEGCSA-N -1 0 318.337 -0.396 20 0 DBADRM COc1cc(-c2nn[nH]n2)ccc1C(=O)N(C)c1nnn[n-]1 ZINC001579877136 1020583056 /nfs/dbraw/zinc/58/30/56/1020583056.db2.gz ZNOQYNYQKUXWDT-UHFFFAOYSA-N -1 0 301.270 -0.335 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)NC(=O)C(C)(F)F ZINC001508454204 1020593380 /nfs/dbraw/zinc/59/33/80/1020593380.db2.gz OMSAOQCXHPYZGJ-RITPCOANSA-N -1 0 321.284 -0.646 20 0 DBADRM COc1cc(CNC(=O)Cn2ncnn2)ccc1-c1nn[nH]n1 ZINC001579925920 1020595766 /nfs/dbraw/zinc/59/57/66/1020595766.db2.gz BJSNUOKZFKGLHX-UHFFFAOYSA-N -1 0 315.297 -0.822 20 0 DBADRM COc1ccc(CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1-c1nn[nH]n1 ZINC001580011330 1020626794 /nfs/dbraw/zinc/62/67/94/1020626794.db2.gz KDAJCOPUBMICCD-BDAKNGLRSA-N -1 0 316.321 -0.387 20 0 DBADRM COc1ccc(CNC(=O)[C@H](O)C(C)(C)O)cc1-c1nn[nH]n1 ZINC001580010072 1020628772 /nfs/dbraw/zinc/62/87/72/1020628772.db2.gz DRDZQQSDZFVQLM-NSHDSACASA-N -1 0 321.337 -0.377 20 0 DBADRM COc1ncc(NC(=O)c2cc(=O)n(C)[n-]2)cc1-c1nn[nH]n1 ZINC001580138245 1020654154 /nfs/dbraw/zinc/65/41/54/1020654154.db2.gz IQXSJSFZIRDVAP-UHFFFAOYSA-N -1 0 316.281 -0.038 20 0 DBADRM COc1ncccc1C(=O)Cn1cnc(-c2nnn[n-]2)cc1=O ZINC001580143861 1020656966 /nfs/dbraw/zinc/65/69/66/1020656966.db2.gz DYSYBYBYCYQADX-UHFFFAOYSA-N -1 0 313.277 -0.290 20 0 DBADRM CS[C@H](C)CC(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001580202540 1020667827 /nfs/dbraw/zinc/66/78/27/1020667827.db2.gz OFRZWKULAUERSL-MRVPVSSYSA-N -1 0 322.398 -0.252 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)c2cn[nH]n2)c1[O-] ZINC001508815743 1020675923 /nfs/dbraw/zinc/67/59/23/1020675923.db2.gz QHRPLOYVARAPES-LURJTMIESA-N -1 0 307.314 -0.568 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)CC(C)(C)O ZINC001580290723 1020681962 /nfs/dbraw/zinc/68/19/62/1020681962.db2.gz QQPRVXDDZGRUMY-QMMMGPOBSA-N -1 0 320.357 -0.844 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CC1(F)F ZINC001580290660 1020683034 /nfs/dbraw/zinc/68/30/34/1020683034.db2.gz OTWCCSKJGSVBOP-BQBZGAKWSA-N -1 0 324.295 -0.350 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1cn[nH]c1 ZINC001580417170 1020711193 /nfs/dbraw/zinc/71/11/93/1020711193.db2.gz VRIFUALICAIJJK-SSDOTTSWSA-N -1 0 314.313 -0.968 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)CCCF ZINC001508979232 1020713239 /nfs/dbraw/zinc/71/32/39/1020713239.db2.gz HFGBUOIIZVYXFT-ZETCQYMHSA-N -1 0 315.305 -0.391 20 0 DBADRM CSCC(=O)N(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001508980566 1020715420 /nfs/dbraw/zinc/71/54/20/1020715420.db2.gz NQQCAZZMAZZMOS-LURJTMIESA-N -1 0 315.355 -0.778 20 0 DBADRM CC[C@@H](F)C(=O)N(C)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001508996555 1020717522 /nfs/dbraw/zinc/71/75/22/1020717522.db2.gz WEYSVZGIKKOPMT-HTQZYQBOSA-N -1 0 317.321 -0.600 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC[C@@H](O)[C@@H](F)C1 ZINC001580598054 1020759777 /nfs/dbraw/zinc/75/97/77/1020759777.db2.gz QAJHMWPVGCJQQV-DTWKUNHWSA-N -1 0 322.300 -0.179 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC(CC(N)=O)C1 ZINC001580597278 1020760154 /nfs/dbraw/zinc/76/01/54/1020760154.db2.gz GSNNEEAGNCMYOS-UHFFFAOYSA-N -1 0 317.309 -0.777 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCCc1ncc[nH]1 ZINC001580605922 1020762274 /nfs/dbraw/zinc/76/22/74/1020762274.db2.gz PWKJDWQRZVOBLW-UHFFFAOYSA-N -1 0 314.309 -0.029 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@@]1(CO)CCOC1 ZINC001580600723 1020762878 /nfs/dbraw/zinc/76/28/78/1020762878.db2.gz HVXFXCZJPBNTPJ-CYBMUJFWSA-N -1 0 320.309 -0.843 20 0 DBADRM C[C@H](NC(=O)CC1CC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001509363562 1020778799 /nfs/dbraw/zinc/77/87/99/1020778799.db2.gz ADGIMFNMLCLMQG-QMMMGPOBSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(c1c[n-]ncc1=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC001580832141 1020802961 /nfs/dbraw/zinc/80/29/61/1020802961.db2.gz RWLMEIMXIWIVIQ-JTQLQIEISA-N -1 0 305.338 -0.781 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)ncc1-c1nn[nH]n1 ZINC001580840495 1020804052 /nfs/dbraw/zinc/80/40/52/1020804052.db2.gz LJOUVLATJLEDCW-MRVPVSSYSA-N -1 0 322.350 -0.513 20 0 DBADRM Cc1cc(C(=O)NCC(=O)N2CCCC2)ncc1-c1nn[nH]n1 ZINC001580842393 1020804126 /nfs/dbraw/zinc/80/41/26/1020804126.db2.gz MMFDGLOYGVOLGK-UHFFFAOYSA-N -1 0 315.337 -0.078 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CNC(=O)C2)ncc1-c1nn[nH]n1 ZINC001580861769 1020808146 /nfs/dbraw/zinc/80/81/46/1020808146.db2.gz IGZUKWBCJUCYJL-QMMMGPOBSA-N -1 0 301.310 -0.564 20 0 DBADRM CC(=O)N[C@H]1C[C@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001509800099 1020815318 /nfs/dbraw/zinc/81/53/18/1020815318.db2.gz TZYXUKCNCNGGCG-MGCOHNPYSA-N -1 0 318.337 -0.898 20 0 DBADRM CC(C)C(=O)NCCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001510062409 1020830006 /nfs/dbraw/zinc/83/00/06/1020830006.db2.gz KAUFMZBBRAUDFX-QMMMGPOBSA-N -1 0 311.342 -0.047 20 0 DBADRM Cc1cncc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)c1 ZINC001581329777 1020832500 /nfs/dbraw/zinc/83/25/00/1020832500.db2.gz SHOLEWCPNNEIBP-UHFFFAOYSA-N -1 0 314.309 -0.018 20 0 DBADRM Cc1nnc(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)[nH]1 ZINC001581400528 1020833068 /nfs/dbraw/zinc/83/30/68/1020833068.db2.gz WCXHLICPGZJGDC-UHFFFAOYSA-N -1 0 321.326 -0.833 20 0 DBADRM CN(CCOCCNC(=O)C(F)F)C(=O)c1cnc[nH]c1=O ZINC001510180958 1020835670 /nfs/dbraw/zinc/83/56/70/1020835670.db2.gz KEEYHQNPOPZOMW-UHFFFAOYSA-N -1 0 318.280 -0.348 20 0 DBADRM Cc1nc(NCC2(C(N)=O)CCOCC2)cc(-c2nn[nH]n2)n1 ZINC001581512192 1020836668 /nfs/dbraw/zinc/83/66/68/1020836668.db2.gz IDPSHQHPSDCCIK-UHFFFAOYSA-N -1 0 318.341 -0.341 20 0 DBADRM Cc1nn(C)c(NC(=O)c2ccc(=O)n(C)n2)c1-c1nn[nH]n1 ZINC001581593527 1020839265 /nfs/dbraw/zinc/83/92/65/1020839265.db2.gz HDRLBBGOTQSNMO-UHFFFAOYSA-N -1 0 315.297 -0.745 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)Nc1n[nH]cc1-c1nn[nH]n1 ZINC001581588556 1020839295 /nfs/dbraw/zinc/83/92/95/1020839295.db2.gz GGUNJDXKZIPLFH-UHFFFAOYSA-N -1 0 315.297 -0.238 20 0 DBADRM Cc1noc(CCNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001581636739 1020840462 /nfs/dbraw/zinc/84/04/62/1020840462.db2.gz RLHOAONUWNHKDD-ZCFIWIBFSA-N -1 0 318.301 -0.930 20 0 DBADRM CC1SC(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)=NC1=O ZINC001581741163 1020843055 /nfs/dbraw/zinc/84/30/55/1020843055.db2.gz VAUBXMQIAGUYGT-UHFFFAOYSA-N -1 0 321.326 -0.641 20 0 DBADRM Cn1c(Cl)ncc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001581751275 1020844484 /nfs/dbraw/zinc/84/44/84/1020844484.db2.gz PTIPISDUWJQEAW-UHFFFAOYSA-N -1 0 322.720 -0.725 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCc2ccco2)n(C)c1=O ZINC001581752847 1020844700 /nfs/dbraw/zinc/84/47/00/1020844700.db2.gz AWJGEOZGARCZMN-UHFFFAOYSA-N -1 0 303.282 -0.531 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@H]2COC(C)(C)O2)c(-c2nnn[n-]2)c1=O ZINC001581747615 1020845002 /nfs/dbraw/zinc/84/50/02/1020845002.db2.gz RLCXZQVGUFPTSQ-LURJTMIESA-N -1 0 323.313 -0.771 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2C[C@@H](O)C23CCC3)c(-c2nnn[n-]2)c1=O ZINC001581747917 1020845183 /nfs/dbraw/zinc/84/51/83/1020845183.db2.gz KEPRDQPOKPDLCU-RNFRBKRXSA-N -1 0 319.325 -0.619 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@@H](O)C(F)(F)F)c(-c2nnn[n-]2)c1=O ZINC001581747762 1020845329 /nfs/dbraw/zinc/84/53/29/1020845329.db2.gz UDYGTUXTUFFYHF-GSVOUGTGSA-N -1 0 321.219 -0.999 20 0 DBADRM Cn1cc(NC(=O)c2ccc(-c3nnn[n-]3)o2)c(C(N)=O)n1 ZINC001581775396 1020846891 /nfs/dbraw/zinc/84/68/91/1020846891.db2.gz VTXCKJAHQKTVEV-UHFFFAOYSA-N -1 0 302.254 -0.456 20 0 DBADRM Cn1ccc(CCNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)n1 ZINC001581790587 1020848411 /nfs/dbraw/zinc/84/84/11/1020848411.db2.gz OEXQWWPVUQQBOS-UHFFFAOYSA-N -1 0 317.313 -0.946 20 0 DBADRM O=C(C1CCC1)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001581931380 1020859859 /nfs/dbraw/zinc/85/98/59/1020859859.db2.gz JGUYERKRFVUHLW-SNVBAGLBSA-N -1 0 314.353 -0.109 20 0 DBADRM O=C(C1CC1)N1CCC[C@@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001581923617 1020860632 /nfs/dbraw/zinc/86/06/32/1020860632.db2.gz YADPCFYIVUSTRZ-SNVBAGLBSA-N -1 0 314.353 -0.109 20 0 DBADRM O=C(CCCF)N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001582046765 1020871599 /nfs/dbraw/zinc/87/15/99/1020871599.db2.gz YSRVIBGGDDNORR-KYZUINATSA-N -1 0 320.332 -0.113 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001510683335 1020876157 /nfs/dbraw/zinc/87/61/57/1020876157.db2.gz YNGFMKXFAVPLAP-BWZBUEFSSA-N -1 0 309.326 -0.485 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)NC[C@@H]1CNC(=O)C1 ZINC001582129217 1020879194 /nfs/dbraw/zinc/87/91/94/1020879194.db2.gz YIUSVGKFPSNFKT-VIFPVBQESA-N -1 0 316.321 -0.502 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)NCc1ccnc(-c2nn[nH]n2)c1 ZINC001582132719 1020879299 /nfs/dbraw/zinc/87/92/99/1020879299.db2.gz WDKVWUDQOJECIE-UHFFFAOYSA-N -1 0 322.350 -0.545 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)nn1)NC(=O)Nc1ccccc1 ZINC001582189055 1020883871 /nfs/dbraw/zinc/88/38/71/1020883871.db2.gz ZKJPNTMISQOEIG-UHFFFAOYSA-N -1 0 313.281 -0.194 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)nn1)NC(=O)NCc1ccco1 ZINC001582188462 1020883953 /nfs/dbraw/zinc/88/39/53/1020883953.db2.gz OFXJIUJJPCNDRW-UHFFFAOYSA-N -1 0 317.269 -0.923 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC[C@@H](O)C1CCCC1 ZINC001582199214 1020884673 /nfs/dbraw/zinc/88/46/73/1020884673.db2.gz FOGGFZLFNSSAEJ-SNVBAGLBSA-N -1 0 320.357 -0.484 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@@H]1c1ncon1 ZINC001582197930 1020884958 /nfs/dbraw/zinc/88/49/58/1020884958.db2.gz FTJACZANLHRMHA-SSDOTTSWSA-N -1 0 316.285 -0.795 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1nc2n(n1)CCCC2 ZINC001582199784 1020885098 /nfs/dbraw/zinc/88/50/98/1020885098.db2.gz ZMVBQEOJWQOHHH-UHFFFAOYSA-N -1 0 315.301 -0.975 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1C[C@H]1C1CCOCC1 ZINC001582199049 1020885440 /nfs/dbraw/zinc/88/54/40/1020885440.db2.gz BOUBOLRDHIKRJV-VHSXEESVSA-N -1 0 318.341 -0.611 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001582528012 1020903749 /nfs/dbraw/zinc/90/37/49/1020903749.db2.gz CGSIGQLLOVTXHX-YIZRAAEISA-N -1 0 316.325 -0.810 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cnn(C(F)F)c1 ZINC001582528812 1020905558 /nfs/dbraw/zinc/90/55/58/1020905558.db2.gz OIQZZOQAHOEGQZ-UHFFFAOYSA-N -1 0 324.255 -0.520 20 0 DBADRM O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)c1n[nH]c(=O)[n-]c1=O ZINC001582641948 1020914760 /nfs/dbraw/zinc/91/47/60/1020914760.db2.gz XVICUKHJMFIYQY-UHFFFAOYSA-N -1 0 318.228 -0.146 20 0 DBADRM O=C(Nc1c[nH]nc1-c1nnn[n-]1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001582649695 1020915817 /nfs/dbraw/zinc/91/58/17/1020915817.db2.gz DDLQAPAGDWFUGN-IEESLHIDSA-N -1 0 317.309 -0.230 20 0 DBADRM O=C(Nc1c[nH]nc1-c1nnn[n-]1)c1cnc2n1CCOC2 ZINC001582650310 1020916384 /nfs/dbraw/zinc/91/63/84/1020916384.db2.gz PALMUMWYINTOIE-UHFFFAOYSA-N -1 0 301.270 -0.431 20 0 DBADRM O=C(Nc1c[nH]nc1-c1nnn[n-]1)[C@@H]1CCc2nncn2CC1 ZINC001582650009 1020916705 /nfs/dbraw/zinc/91/67/05/1020916705.db2.gz LNBYHIUXLLDKAG-SSDOTTSWSA-N -1 0 314.313 -0.228 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001582699854 1020918313 /nfs/dbraw/zinc/91/83/13/1020918313.db2.gz FIKLRJAUYLSBHY-MWLCHTKSSA-N -1 0 319.321 -0.612 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCC(CO)(CO)C1 ZINC001582700295 1020919766 /nfs/dbraw/zinc/91/97/66/1020919766.db2.gz OTMNYXOKURWHHF-UHFFFAOYSA-N -1 0 319.321 -0.611 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1C[C@@H](CO)[C@H](CO)C1 ZINC001582700519 1020919912 /nfs/dbraw/zinc/91/99/12/1020919912.db2.gz URCTWOAVQMWRQD-UWVGGRQHSA-N -1 0 319.321 -0.755 20 0 DBADRM O=C(NCC[C@@H]1CNC(=O)C1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001582760436 1020921512 /nfs/dbraw/zinc/92/15/12/1020921512.db2.gz OLWLLNOAPDFIOY-QMMMGPOBSA-N -1 0 316.321 -0.172 20 0 DBADRM O=C1OCCN1CCn1c2c(cc(-c3nnn[n-]3)c1=O)CCC2 ZINC001582789564 1020923529 /nfs/dbraw/zinc/92/35/29/1020923529.db2.gz TWSKVTQVGAOWPH-UHFFFAOYSA-N -1 0 316.321 -0.031 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1C[C@@H](F)[C@@H](F)C1 ZINC001582802202 1020924354 /nfs/dbraw/zinc/92/43/54/1020924354.db2.gz ZLVAYSZCNSDBSK-KNVOCYPGSA-N -1 0 316.293 -0.058 20 0 DBADRM O=S1(=O)N=C(Cn2cc(-c3nnn[n-]3)nn2)c2ccccc21 ZINC001582801873 1020925188 /nfs/dbraw/zinc/92/51/88/1020925188.db2.gz GTGAUTKBTCANNP-UHFFFAOYSA-N -1 0 316.306 -0.350 20 0 DBADRM O=S(=O)(N[C@]12C[C@H]1COC2)c1ccsc1-c1nnn[n-]1 ZINC001582798723 1020925608 /nfs/dbraw/zinc/92/56/08/1020925608.db2.gz AGECTGRAYHOOKH-WKEGUHRASA-N -1 0 313.364 -0.005 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)CC2CCC2)c1[O-] ZINC001510885288 1020927944 /nfs/dbraw/zinc/92/79/44/1020927944.db2.gz BHPNDKZJNNLPHX-SNVBAGLBSA-N -1 0 310.354 -0.179 20 0 DBADRM CC(C)[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)NC(=O)c1cn[nH]n1 ZINC001582925141 1020940522 /nfs/dbraw/zinc/94/05/22/1020940522.db2.gz XWAYJOSJWHQBLY-VHSXEESVSA-N -1 0 322.369 -0.846 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCc1nnnn1-c1ccccc1 ZINC001583555464 1020998698 /nfs/dbraw/zinc/99/86/98/1020998698.db2.gz DRHJGXSXZCDAOH-UHFFFAOYSA-N -1 0 313.325 -0.186 20 0 DBADRM C[C@@H](CNC(=O)C[C@@H]1C=CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001584276445 1021016268 /nfs/dbraw/zinc/01/62/68/1021016268.db2.gz NCAQUDKLHQUYGS-VHSXEESVSA-N -1 0 323.353 -0.334 20 0 DBADRM C[C@@H](CNC(=O)/C=C\C1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001584276429 1021016356 /nfs/dbraw/zinc/01/63/56/1021016356.db2.gz MFLVHYWLHLFEGH-LGYSABEFSA-N -1 0 309.326 -0.724 20 0 DBADRM CC(C)=CC(=O)NC[C@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001584572988 1021021561 /nfs/dbraw/zinc/02/15/61/1021021561.db2.gz XMCRCBMRHYJXOD-SNVBAGLBSA-N -1 0 320.349 -0.217 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC001584968025 1021041329 /nfs/dbraw/zinc/04/13/29/1021041329.db2.gz NSCWLEYCXOPPLM-LURJTMIESA-N -1 0 306.248 -0.383 20 0 DBADRM CC(=CC(=O)N1CCO[C@H](c2nnn[n-]2)C1)c1cnccn1 ZINC001585183085 1021049029 /nfs/dbraw/zinc/04/90/29/1021049029.db2.gz FXGCCWUIXZEVAD-WDDYJBPVSA-N -1 0 301.310 -0.007 20 0 DBADRM O=C(CCc1nnn[n-]1)NCCNC(=O)c1ccc(F)cc1 ZINC001585192080 1021049637 /nfs/dbraw/zinc/04/96/37/1021049637.db2.gz OLTKPWYNAJFCPV-UHFFFAOYSA-N -1 0 306.301 -0.182 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC001585638506 1021060416 /nfs/dbraw/zinc/06/04/16/1021060416.db2.gz LCKGYYGYHLHWHE-UHFFFAOYSA-N -1 0 319.339 -0.754 20 0 DBADRM COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[N-]OC ZINC001585643786 1021061285 /nfs/dbraw/zinc/06/12/85/1021061285.db2.gz WBZRLBYKNYHPFA-QMMMGPOBSA-N -1 0 305.331 -0.680 20 0 DBADRM C[C@@H](C(=O)N(C)c1nnn[n-]1)N1C(=O)NC2(CCCC2)C1=O ZINC001586262436 1021076852 /nfs/dbraw/zinc/07/68/52/1021076852.db2.gz RFSUENGQOYJVMI-ZETCQYMHSA-N -1 0 307.314 -0.584 20 0 DBADRM Brc1ncn(CCn2cc(-c3nnn[n-]3)nn2)n1 ZINC001588325209 1021088193 /nfs/dbraw/zinc/08/81/93/1021088193.db2.gz VPVIIYFGOHJNAL-UHFFFAOYSA-N -1 0 311.107 -0.488 20 0 DBADRM CC(=O)NCCN(C(=O)CC1OCCCO1)[C@H](C)C(=O)[O-] ZINC001588506655 1021108962 /nfs/dbraw/zinc/10/89/62/1021108962.db2.gz MHSGJXGDXRBDPE-SECBINFHSA-N -1 0 302.327 -0.423 20 0 DBADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1ccnn1C)CN1CCOCC1 ZINC001588481639 1021102400 /nfs/dbraw/zinc/10/24/00/1021102400.db2.gz YPHYRVQSVCKQKP-MARXPDLDSA-N -1 0 322.365 -0.060 20 0 DBADRM CC(=O)N1CC[C@@H](OC(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001588496819 1021106261 /nfs/dbraw/zinc/10/62/61/1021106261.db2.gz NWVBIEFMCZUWMT-SNVBAGLBSA-N -1 0 308.290 -0.290 20 0 DBADRM CC(=O)N1CCC[C@H](Cn2nnnc2N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001588494113 1021106956 /nfs/dbraw/zinc/10/69/56/1021106956.db2.gz HANGAUWBLRYXTB-NWDGAFQWSA-N -1 0 322.369 -0.158 20 0 DBADRM CC(=O)N1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@H](C)C1 ZINC001588495588 1021107018 /nfs/dbraw/zinc/10/70/18/1021107018.db2.gz MXBOIRZHEUIWHZ-VHSXEESVSA-N -1 0 313.354 -0.755 20 0 DBADRM CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001588497111 1021107359 /nfs/dbraw/zinc/10/73/59/1021107359.db2.gz VNZBJOOGHZGMEJ-YNEHKIRRSA-N -1 0 310.350 -0.197 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)CCC(=O)[O-] ZINC001588499505 1021107441 /nfs/dbraw/zinc/10/74/41/1021107441.db2.gz PGBUPLHZZGFLLF-UHFFFAOYSA-N -1 0 315.370 -0.271 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccnc2n[nH]nc21)[C@H](C)C(=O)[O-] ZINC001588508468 1021108694 /nfs/dbraw/zinc/10/86/94/1021108694.db2.gz JQTVFLDDPNONRH-SSDOTTSWSA-N -1 0 320.309 -0.596 20 0 DBADRM CC(=O)NCCN(C(=O)c1nnc(C)s1)[C@@H](C)C(=O)[O-] ZINC001588509133 1021110305 /nfs/dbraw/zinc/11/03/05/1021110305.db2.gz ZCMSINKZTPLFNR-LURJTMIESA-N -1 0 300.340 -0.102 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc(C(N)=O)[nH]1)[C@@H](C)C(=O)[O-] ZINC001588508829 1021110413 /nfs/dbraw/zinc/11/04/13/1021110413.db2.gz STHBAOQJVUFHHJ-ZETCQYMHSA-N -1 0 310.310 -0.835 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001588513454 1021110433 /nfs/dbraw/zinc/11/04/33/1021110433.db2.gz NGEVRBKAQRAODU-UHFFFAOYSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(=O)OCCc1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC001588527140 1021112633 /nfs/dbraw/zinc/11/26/33/1021112633.db2.gz RHMRAPZJIHBFSH-UHFFFAOYSA-N -1 0 308.290 -0.069 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(S(N)(=O)=O)cn1)C1CC1 ZINC001588589135 1021116819 /nfs/dbraw/zinc/11/68/19/1021116819.db2.gz GVCKBWQXJGVUGO-ZETCQYMHSA-N -1 0 313.335 -0.193 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)c1nc2ncc(CCO)cn2n1)C1CC1 ZINC001588591161 1021117283 /nfs/dbraw/zinc/11/72/83/1021117283.db2.gz HGXKWAIEZJYUDV-QMMMGPOBSA-N -1 0 319.321 -0.263 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001588565812 1021117402 /nfs/dbraw/zinc/11/74/02/1021117402.db2.gz OXJZISIFNSKRAF-GFCCVEGCSA-N -1 0 311.382 -0.136 20 0 DBADRM C[C@@H](C(=O)[O-])c1noc(CN(C)[C@H]2CCS(=O)(=O)C2)n1 ZINC001588601621 1021119192 /nfs/dbraw/zinc/11/91/92/1021119192.db2.gz GPMHWXFYWGVHHT-SFYZADRCSA-N -1 0 303.340 -0.123 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N1CCO[C@@H](CN2CCOCC2)C1 ZINC001588611479 1021119465 /nfs/dbraw/zinc/11/94/65/1021119465.db2.gz TYYKBWYZQMJTCR-NSHDSACASA-N -1 0 300.355 -0.343 20 0 DBADRM CC(C)(C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)N1CCOCC1 ZINC001588607589 1021119523 /nfs/dbraw/zinc/11/95/23/1021119523.db2.gz MNXJURWKNUPJOR-IAQYHMDHSA-N -1 0 312.366 -0.343 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001588610987 1021119874 /nfs/dbraw/zinc/11/98/74/1021119874.db2.gz GRAXASSQOGBGFZ-SNVBAGLBSA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@@H](C(=O)[O-])c1noc(CN(C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC001588601618 1021120069 /nfs/dbraw/zinc/12/00/69/1021120069.db2.gz GPMHWXFYWGVHHT-HTQZYQBOSA-N -1 0 303.340 -0.123 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N[C@H]2CCC(=O)NC2=O)n1 ZINC001588622813 1021122363 /nfs/dbraw/zinc/12/23/63/1021122363.db2.gz DQFOYNWKQYAERI-ZETCQYMHSA-N -1 0 323.309 -0.371 20 0 DBADRM CC(C)(C)[C@H](CO)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001588640949 1021123616 /nfs/dbraw/zinc/12/36/16/1021123616.db2.gz RKBWQZMSMGBFON-QMMMGPOBSA-N -1 0 312.326 -0.571 20 0 DBADRM CC(C)(C)N1CC[C@H](NC(=O)NCCOCC(=O)[O-])C1=O ZINC001588660146 1021123754 /nfs/dbraw/zinc/12/37/54/1021123754.db2.gz XBPKPWCORVIATF-VIFPVBQESA-N -1 0 301.343 -0.214 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001588651782 1021124029 /nfs/dbraw/zinc/12/40/29/1021124029.db2.gz WXMHPNYCVBKLRH-NXEZZACHSA-N -1 0 312.322 -0.504 20 0 DBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001588640568 1021124506 /nfs/dbraw/zinc/12/45/06/1021124506.db2.gz ZTMVDBYAFPKUOS-RFXMVYNHSA-N -1 0 313.354 -0.371 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001588651274 1021124816 /nfs/dbraw/zinc/12/48/16/1021124816.db2.gz FEHVDODRXIPURW-UWVGGRQHSA-N -1 0 312.322 -0.504 20 0 DBADRM C=CC(=O)N(C)CC(=O)N(CCC(=O)[O-])CC(OC)OC ZINC001588651231 1021124900 /nfs/dbraw/zinc/12/49/00/1021124900.db2.gz BLGGJVQNWXEEBU-UHFFFAOYSA-N -1 0 302.327 -0.447 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001588670614 1021126617 /nfs/dbraw/zinc/12/66/17/1021126617.db2.gz GSQBDVIKFLFHQC-VIFPVBQESA-N -1 0 303.311 -0.343 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)C1(C(=O)[O-])CC1 ZINC001588708543 1021127831 /nfs/dbraw/zinc/12/78/31/1021127831.db2.gz JJRXJTGXOGRQIM-QMMMGPOBSA-N -1 0 302.327 -0.147 20 0 DBADRM CC(C)(C)OC(=O)NOCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001588718607 1021128632 /nfs/dbraw/zinc/12/86/32/1021128632.db2.gz DTZSEXNHCZIXOC-QMMMGPOBSA-N -1 0 304.299 -0.245 20 0 DBADRM CC(C)(C)[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(N)=O ZINC001588739486 1021130119 /nfs/dbraw/zinc/13/01/19/1021130119.db2.gz QITNIVWJVKPYJC-JGVFFNPUSA-N -1 0 307.372 -0.730 20 0 DBADRM CC(C)(CCNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC001588774611 1021130546 /nfs/dbraw/zinc/13/05/46/1021130546.db2.gz UKJFFDLVOBMQDU-SECBINFHSA-N -1 0 321.399 -0.050 20 0 DBADRM CC(C)(CNC(=O)COCC(=O)[O-])[C@@H]1COCC12OCCO2 ZINC001588779570 1021130567 /nfs/dbraw/zinc/13/05/67/1021130567.db2.gz PKFZCGFIWKFWMM-JTQLQIEISA-N -1 0 317.338 -0.381 20 0 DBADRM CC(C)(CCNC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC001588775581 1021130584 /nfs/dbraw/zinc/13/05/84/1021130584.db2.gz WMPVQSFSFCKZIM-UHFFFAOYSA-N -1 0 315.351 -0.040 20 0 DBADRM CC(C)(C)n1nnnc1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001588755014 1021131039 /nfs/dbraw/zinc/13/10/39/1021131039.db2.gz XBYSGZXPASKPRN-QMMMGPOBSA-N -1 0 317.371 -0.888 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)CS(N)(=O)=O ZINC001588778858 1021131113 /nfs/dbraw/zinc/13/11/13/1021131113.db2.gz BQZOAIDKACNDKI-GFCCVEGCSA-N -1 0 321.399 -0.193 20 0 DBADRM CC(C)(C)[S@@](=O)CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001588738959 1021131249 /nfs/dbraw/zinc/13/12/49/1021131249.db2.gz SVJDJUFTLIWSSR-BTKVJGODSA-N -1 0 318.395 -0.417 20 0 DBADRM CC(C)C(=O)NCCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001588799336 1021132798 /nfs/dbraw/zinc/13/27/98/1021132798.db2.gz DOSDGJYOFFCIBV-JTQLQIEISA-N -1 0 313.354 -0.802 20 0 DBADRM CC(=O)N(C)CCOCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001588800872 1021133226 /nfs/dbraw/zinc/13/32/26/1021133226.db2.gz ZZVJGXJYFPEGLI-UHFFFAOYSA-N -1 0 320.357 -0.412 20 0 DBADRM CC(=O)C1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC1 ZINC001588785781 1021133358 /nfs/dbraw/zinc/13/33/58/1021133358.db2.gz JBGYOYQLBVECOL-UHFFFAOYSA-N -1 0 319.325 -0.941 20 0 DBADRM CC(=O)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001588813274 1021134092 /nfs/dbraw/zinc/13/40/92/1021134092.db2.gz VOFDJHWLVNDSEK-SCZZXKLOSA-N -1 0 302.342 -0.110 20 0 DBADRM CC(C)[C@](C)(O)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001588812521 1021135799 /nfs/dbraw/zinc/13/57/99/1021135799.db2.gz LYVIEQXEPMQGJD-QMTHXVAHSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CC[C@H](CS(N)(=O)=O)C1)C(=O)[O-] ZINC001588823460 1021136269 /nfs/dbraw/zinc/13/62/69/1021136269.db2.gz XICZNKPWEWLUCZ-UWVGGRQHSA-N -1 0 321.399 -0.337 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@H]1CC(C(=O)[O-])=NO1)N1CCOCC1 ZINC001588816656 1021137119 /nfs/dbraw/zinc/13/71/19/1021137119.db2.gz JXVPUZQTQMCOIH-NWDGAFQWSA-N -1 0 313.354 -0.311 20 0 DBADRM CC(C)[C@@H](CNC(=O)[C@@H]1CC(C(=O)[O-])=NO1)N1CCOCC1 ZINC001588816655 1021137453 /nfs/dbraw/zinc/13/74/53/1021137453.db2.gz JXVPUZQTQMCOIH-NEPJUHHUSA-N -1 0 313.354 -0.311 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)Nc2c[nH]nc2-c2nnn[n-]2)C1 ZINC001588815731 1021137522 /nfs/dbraw/zinc/13/75/22/1021137522.db2.gz DZRBOUBLPFWBHH-QMMMGPOBSA-N -1 0 304.314 -0.213 20 0 DBADRM CC(C)[C@@]1(C)CC(=O)N(CCS(=O)(=O)CC(=O)[O-])C1=O ZINC001588839680 1021138311 /nfs/dbraw/zinc/13/83/11/1021138311.db2.gz XRQYUUXDKZFXAA-GFCCVEGCSA-N -1 0 305.352 -0.093 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCCN1CCNC(=O)C1)C(=O)[O-] ZINC001588825271 1021139579 /nfs/dbraw/zinc/13/95/79/1021139579.db2.gz NYGYHWRFEXMWBH-SNVBAGLBSA-N -1 0 300.359 -0.926 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001588843318 1021140572 /nfs/dbraw/zinc/14/05/72/1021140572.db2.gz KZJWDTLGGPRKTN-KXUCPTDWSA-N -1 0 313.354 -0.628 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1)C(=O)[O-] ZINC001588847333 1021141148 /nfs/dbraw/zinc/14/11/48/1021141148.db2.gz MDNCTEVBPIVVEC-ZIBATOQPSA-N -1 0 312.366 -0.167 20 0 DBADRM CC(C)CCOCCNC(=O)CN[C@]1(C(=O)[O-])CCOC1 ZINC001588867994 1021146077 /nfs/dbraw/zinc/14/60/77/1021146077.db2.gz PBHQMJVGFJXYKN-CQSZACIVSA-N -1 0 302.371 -0.001 20 0 DBADRM CC(C)CN1N=C(C(=O)N2CCOC[C@H]2C(=O)[O-])CCC1=O ZINC001588875907 1021147249 /nfs/dbraw/zinc/14/72/49/1021147249.db2.gz BUZUOLZSDGBLSU-NSHDSACASA-N -1 0 311.338 -0.067 20 0 DBADRM CC(C)Cn1c(CO)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001588910816 1021149663 /nfs/dbraw/zinc/14/96/63/1021149663.db2.gz GMXZIOKDLAJSBI-QMTHXVAHSA-N -1 0 310.354 -0.036 20 0 DBADRM CC(C)N(CC(=O)[O-])Cc1nccn1S(=O)(=O)N(C)C ZINC001588918290 1021149979 /nfs/dbraw/zinc/14/99/79/1021149979.db2.gz GSKSEPBEFOPYER-UHFFFAOYSA-N -1 0 304.372 -0.167 20 0 DBADRM CC(C)C[C@H](NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001588905495 1021151222 /nfs/dbraw/zinc/15/12/22/1021151222.db2.gz GDVHGGALJLVXNH-ZETCQYMHSA-N -1 0 319.339 -0.737 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1=O ZINC001588922559 1021153251 /nfs/dbraw/zinc/15/32/51/1021153251.db2.gz QWNYCRJDAYUXKR-UWVGGRQHSA-N -1 0 311.338 -0.955 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001588925320 1021154850 /nfs/dbraw/zinc/15/48/50/1021154850.db2.gz JMCDHNQADAPFSI-UHFFFAOYSA-N -1 0 311.342 -0.637 20 0 DBADRM C/C(=C/C(=O)N[C@H](Cn1cncn1)C(=O)[O-])c1cnccn1 ZINC001588938366 1021156915 /nfs/dbraw/zinc/15/69/15/1021156915.db2.gz CZDXRTARQMAMIR-KSHIFHCESA-N -1 0 302.294 -0.259 20 0 DBADRM C[C@@H](C(=O)N(CCCCO)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588943462 1021157185 /nfs/dbraw/zinc/15/71/85/1021157185.db2.gz OUJUKXPZJFCXNV-VIFPVBQESA-N -1 0 320.357 -0.217 20 0 DBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1CC(=O)[O-])C(N)=O ZINC001588942835 1021157541 /nfs/dbraw/zinc/15/75/41/1021157541.db2.gz FFSWEXBQVIXUQY-GFCCVEGCSA-N -1 0 321.333 -0.122 20 0 DBADRM C[C@@H](C(=O)N(C)c1cnn(C)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001588942562 1021157563 /nfs/dbraw/zinc/15/75/63/1021157563.db2.gz DABWNGGPYMYWRK-ZETCQYMHSA-N -1 0 302.302 -0.584 20 0 DBADRM C[C@@H](C(=O)N1CC2(C1)CCOC2)n1cnc(-c2nnn[n-]2)n1 ZINC001588948010 1021158339 /nfs/dbraw/zinc/15/83/39/1021158339.db2.gz BVHSNORMQWIDPW-QMMMGPOBSA-N -1 0 304.314 -0.732 20 0 DBADRM C[C@H](C(=O)N(C)CCn1cccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001588942011 1021159044 /nfs/dbraw/zinc/15/90/44/1021159044.db2.gz TVIGLDKFHWQTOS-SECBINFHSA-N -1 0 316.329 -0.626 20 0 DBADRM C[C@H](C(=O)N(C)Cc1cnccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001588943556 1021159518 /nfs/dbraw/zinc/15/95/18/1021159518.db2.gz SVGQISNYRCGBKQ-MRVPVSSYSA-N -1 0 314.313 -0.532 20 0 DBADRM CC(C)[C@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)C(=O)[O-] ZINC001588958485 1021160863 /nfs/dbraw/zinc/16/08/63/1021160863.db2.gz DGGAQAZAMJNKIV-QMMMGPOBSA-N -1 0 324.341 -0.871 20 0 DBADRM C[C@H](C(=O)N1CC[C@H](C(C)(C)O)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588949501 1021161380 /nfs/dbraw/zinc/16/13/80/1021161380.db2.gz WPLGJEBLVPXSQI-BDAKNGLRSA-N -1 0 320.357 -0.361 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001588960817 1021161554 /nfs/dbraw/zinc/16/15/54/1021161554.db2.gz IQRQZDIVJFPITA-ONGXEEELSA-N -1 0 304.368 -0.222 20 0 DBADRM C[C@H](C(=O)N1CCOC(C)(C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588959277 1021162033 /nfs/dbraw/zinc/16/20/33/1021162033.db2.gz BWUKXADBPQLYBA-MRVPVSSYSA-N -1 0 306.330 -0.343 20 0 DBADRM CC(C)[C@H](NC(=O)CCC(=O)N1CCC(O)CC1)C(=O)[O-] ZINC001588955725 1021163170 /nfs/dbraw/zinc/16/31/70/1021163170.db2.gz LCVUIIYRGLKBAQ-ZDUSSCGKSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@]1(C)CO)n1cnc(-c2nnn[n-]2)n1 ZINC001588953887 1021164125 /nfs/dbraw/zinc/16/41/25/1021164125.db2.gz BOTIVEBVOOUYRL-QPUJVOFHSA-N -1 0 306.330 -0.607 20 0 DBADRM C[C@H](C[C@@H](C)NC(=O)C(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001512192938 1021165527 /nfs/dbraw/zinc/16/55/27/1021165527.db2.gz HRXHCCUGUFZPFX-RFZPGFLSSA-N -1 0 319.268 -0.439 20 0 DBADRM C/C(=C\CNC(=O)CSCC(=O)N1CCOCC1)C(=O)[O-] ZINC001588966295 1021166878 /nfs/dbraw/zinc/16/68/78/1021166878.db2.gz CQQYNRHBUJZUGO-WTDSWWLTSA-N -1 0 316.379 -0.275 20 0 DBADRM C/C(=C\CNC(=O)C(F)(F)C(=O)N1CCOCC1)C(=O)[O-] ZINC001588964658 1021167841 /nfs/dbraw/zinc/16/78/41/1021167841.db2.gz LZMFVJWUIIGKRV-KRXBUXKQSA-N -1 0 306.265 -0.372 20 0 DBADRM C/C(=C/CNC(=O)C(F)(F)C(=O)N1CCOCC1)C(=O)[O-] ZINC001588964659 1021169506 /nfs/dbraw/zinc/16/95/06/1021169506.db2.gz LZMFVJWUIIGKRV-WAPJZHGLSA-N -1 0 306.265 -0.372 20 0 DBADRM C/C(=C/CNC(=O)N(C)C[C@@H](O)CN1CCOCC1)C(=O)[O-] ZINC001588966956 1021170308 /nfs/dbraw/zinc/17/03/08/1021170308.db2.gz NRKTVARKUJCBOL-CTPBAPBTSA-N -1 0 315.370 -0.648 20 0 DBADRM C/C(=C/CNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001588964462 1021170865 /nfs/dbraw/zinc/17/08/65/1021170865.db2.gz IOWCYTHOURVXQS-BNFOFFDWSA-N -1 0 306.322 -0.080 20 0 DBADRM C[C@H](C(=O)N1C[C@@H]2CSC[C@@H]2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588965792 1021171060 /nfs/dbraw/zinc/17/10/60/1021171060.db2.gz LHQWUXXIEQVSQB-HLTSFMKQSA-N -1 0 320.382 -0.159 20 0 DBADRM C[C@@H](C(=O)N[C@@H](CO)C(C)(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588970936 1021171124 /nfs/dbraw/zinc/17/11/24/1021171124.db2.gz RBWDKXVNMPZWOZ-YUMQZZPRSA-N -1 0 308.346 -0.458 20 0 DBADRM C[C@H](CC(=O)N1CCN(C(=O)C(=O)[O-])CC1)c1cnn(C)c1 ZINC001588989686 1021174237 /nfs/dbraw/zinc/17/42/37/1021174237.db2.gz RZWFWYKMSYRHBB-SNVBAGLBSA-N -1 0 308.338 -0.331 20 0 DBADRM C[C@H](C(=O)NCC1(O)CCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588984018 1021174916 /nfs/dbraw/zinc/17/49/16/1021174916.db2.gz NNPDWFKWHXTCLZ-MRVPVSSYSA-N -1 0 306.330 -0.560 20 0 DBADRM C/C(=C\COC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001588992264 1021175539 /nfs/dbraw/zinc/17/55/39/1021175539.db2.gz UOPKIUPWCHVCBO-XVNBXDOJSA-N -1 0 300.292 -0.083 20 0 DBADRM C[C@H](C(=O)NCC1(CO)CCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588978844 1021176187 /nfs/dbraw/zinc/17/61/87/1021176187.db2.gz PONAPTGIHUXSDV-SECBINFHSA-N -1 0 320.357 -0.312 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001588996846 1021179359 /nfs/dbraw/zinc/17/93/59/1021179359.db2.gz LNMOSRUZOJFOKH-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@H](C(=O)NCCc1cn[nH]c1)n1cnc(-c2nnn[n-]2)n1 ZINC001588996103 1021179773 /nfs/dbraw/zinc/17/97/73/1021179773.db2.gz HDTUJMZZZNODKB-SSDOTTSWSA-N -1 0 302.302 -0.899 20 0 DBADRM C[C@@H](C(=O)NCCn1cnc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001588996737 1021179815 /nfs/dbraw/zinc/17/98/15/1021179815.db2.gz ZZKHOKMBJXURES-MRVPVSSYSA-N -1 0 316.329 -0.888 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001588997348 1021179970 /nfs/dbraw/zinc/17/99/70/1021179970.db2.gz BLRWUBOQCWCYLW-PSASIEDQSA-N -1 0 309.326 -0.312 20 0 DBADRM C[C@@H](C(=O)NCc1ccn(C)n1)n1cnc(-c2nnn[n-]2)n1 ZINC001588999722 1021180313 /nfs/dbraw/zinc/18/03/13/1021180313.db2.gz MTLTUSOKWQEIMB-ZETCQYMHSA-N -1 0 302.302 -0.931 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC001588995238 1021180361 /nfs/dbraw/zinc/18/03/61/1021180361.db2.gz XIEUJXHFTOLIBH-ZETCQYMHSA-N -1 0 307.310 -0.019 20 0 DBADRM C[C@@H](C(=O)Nc1ncccc1O)n1cnc(-c2nnn[n-]2)n1 ZINC001589025378 1021181295 /nfs/dbraw/zinc/18/12/95/1021181295.db2.gz SFTHNZVFSMXNSC-LURJTMIESA-N -1 0 301.270 -0.242 20 0 DBADRM CC(=O)N[C@H](C(=O)N[C@H](CC1OCCO1)C(=O)[O-])C(C)C ZINC001589100075 1021196176 /nfs/dbraw/zinc/19/61/76/1021196176.db2.gz FPUNZAOURNRDMY-KOLCDFICSA-N -1 0 302.327 -0.521 20 0 DBADRM C[C@@H](CC(=O)[O-])NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001589009238 1021184780 /nfs/dbraw/zinc/18/47/80/1021184780.db2.gz LWXNDKWLRFLKNE-DTWKUNHWSA-N -1 0 313.397 -0.406 20 0 DBADRM C[C@@H](C(=O)OC[C@@H]1CN(C)C(=O)O1)n1cnc(-c2nnn[n-]2)n1 ZINC001589025813 1021185416 /nfs/dbraw/zinc/18/54/16/1021185416.db2.gz FLMMITXTHJPWRY-BQBZGAKWSA-N -1 0 322.285 -0.987 20 0 DBADRM CC(=O)N1CC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)C1 ZINC001589055624 1021187442 /nfs/dbraw/zinc/18/74/42/1021187442.db2.gz DOPWMTJNVLVWJF-UHFFFAOYSA-N -1 0 309.322 -0.313 20 0 DBADRM CC(=O)N1CC(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001589055653 1021187470 /nfs/dbraw/zinc/18/74/70/1021187470.db2.gz FWDOHUFTGOXTPI-JTQLQIEISA-N -1 0 307.310 -0.772 20 0 DBADRM C[C@H](C(=O)OCCN1CCCC1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001589030888 1021188510 /nfs/dbraw/zinc/18/85/10/1021188510.db2.gz QRZSEJRDBJKKFP-MRVPVSSYSA-N -1 0 320.313 -0.815 20 0 DBADRM CC(=O)N1CC(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)C1 ZINC001589056165 1021188715 /nfs/dbraw/zinc/18/87/15/1021188715.db2.gz KCRMNGDFYLAZTF-JYHUIVOISA-N -1 0 310.350 -0.007 20 0 DBADRM CC(=O)N1CCC[C@@H](CNC(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001589071052 1021191029 /nfs/dbraw/zinc/19/10/29/1021191029.db2.gz SWLFSFUZFRNNGB-NSHDSACASA-N -1 0 308.338 -0.044 20 0 DBADRM CC(=O)N1CCO[C@H](C(=O)N2CCSC[C@H]2C(=O)[O-])C1 ZINC001589087358 1021191804 /nfs/dbraw/zinc/19/18/04/1021191804.db2.gz VNRANLVEPILXMY-UWVGGRQHSA-N -1 0 302.352 -0.738 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001589075213 1021191266 /nfs/dbraw/zinc/19/12/66/1021191266.db2.gz JTXPJBVQUMZLQC-SLEUVZQESA-N -1 0 310.350 -0.053 20 0 DBADRM CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001589087922 1021191551 /nfs/dbraw/zinc/19/15/51/1021191551.db2.gz XMWBVYBZXWEWMK-MRVPVSSYSA-N -1 0 302.308 -0.123 20 0 DBADRM CC(=O)N1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)[C@H](C)C1 ZINC001589079690 1021191894 /nfs/dbraw/zinc/19/18/94/1021191894.db2.gz KJNLXWJYKKWGEC-SNVBAGLBSA-N -1 0 321.333 -0.374 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])C1 ZINC001589066113 1021191920 /nfs/dbraw/zinc/19/19/20/1021191920.db2.gz DJNFSTJSGPCLDC-NEPJUHHUSA-N -1 0 308.338 -0.289 20 0 DBADRM CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@H](C)C1 ZINC001589079364 1021193190 /nfs/dbraw/zinc/19/31/90/1021193190.db2.gz DZIGFMKBODDZCV-FBIMIBRVSA-N -1 0 311.338 -0.955 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001589096602 1021194076 /nfs/dbraw/zinc/19/40/76/1021194076.db2.gz CKMMFRLMNYSJFW-CYBMUJFWSA-N -1 0 318.329 -0.382 20 0 DBADRM CC(=O)N[C@H](CCC(C)C)C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001589112065 1021195874 /nfs/dbraw/zinc/19/58/74/1021195874.db2.gz AIMDICVJNLIDJC-RISCZKNCSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(=O)N[C@H](C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])C(C)C ZINC001589100076 1021196985 /nfs/dbraw/zinc/19/69/85/1021196985.db2.gz FPUNZAOURNRDMY-ONGXEEELSA-N -1 0 302.327 -0.521 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)Cc2ccc(C(=O)[O-])nc2)CCO1 ZINC001589133591 1021199838 /nfs/dbraw/zinc/19/98/38/1021199838.db2.gz XGELHABWVVRWJL-LBPRGKRZSA-N -1 0 321.333 -0.314 20 0 DBADRM CC(C)(C)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1=O ZINC001589136887 1021200192 /nfs/dbraw/zinc/20/01/92/1021200192.db2.gz UNMZYNAXRGSVHC-QMMMGPOBSA-N -1 0 302.342 -0.110 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1cccs1)C(N)=O ZINC001589152877 1021200304 /nfs/dbraw/zinc/20/03/04/1021200304.db2.gz KNQIJBVFOHDQOH-OIBJUYFYSA-N -1 0 313.335 -0.630 20 0 DBADRM CC(=O)NC[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CC2)CCO1 ZINC001589133299 1021201017 /nfs/dbraw/zinc/20/10/17/1021201017.db2.gz LPUWNGWGICTPLW-JTQLQIEISA-N -1 0 320.367 -0.982 20 0 DBADRM CC(=O)OC[C@H](CO)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001589229876 1021202533 /nfs/dbraw/zinc/20/25/33/1021202533.db2.gz YGXCPISFSGYFAX-NSHDSACASA-N -1 0 311.290 -0.196 20 0 DBADRM CC(=O)N[C@@H](CS[C@H](C(=O)NC(N)=O)C(C)C)C(=O)[O-] ZINC001589157786 1021205266 /nfs/dbraw/zinc/20/52/66/1021205266.db2.gz VQVSKBQLJVAXKF-YUMQZZPRSA-N -1 0 305.356 -0.472 20 0 DBADRM CC1(C)NC(=O)N(CCCNC(=O)[C@H](C(=O)[O-])C2CC2)C1=O ZINC001589232618 1021206009 /nfs/dbraw/zinc/20/60/09/1021206009.db2.gz NQKZVGVHIURZRJ-SECBINFHSA-N -1 0 311.338 -0.066 20 0 DBADRM CC(C)(NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001589317204 1021208441 /nfs/dbraw/zinc/20/84/41/1021208441.db2.gz WUOCHLFGCMGELX-UHFFFAOYSA-N -1 0 320.357 -0.220 20 0 DBADRM CC(=O)c1ncc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])s1 ZINC001589322739 1021211056 /nfs/dbraw/zinc/21/10/56/1021211056.db2.gz MDHZEYGRQNACPC-SSDOTTSWSA-N -1 0 311.319 -0.287 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NCc1nc(C(=O)[O-])co1 ZINC001589336575 1021212014 /nfs/dbraw/zinc/21/20/14/1021212014.db2.gz JWDBCSZBBZUSOB-ZCFIWIBFSA-N -1 0 305.312 -0.731 20 0 DBADRM C[C@@H](C(=O)N1CC(C)(C(=O)[O-])C1)S(=O)(=O)C1CCOCC1 ZINC001589345554 1021213093 /nfs/dbraw/zinc/21/30/93/1021213093.db2.gz BCOFFQUWJUGKPF-VIFPVBQESA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)NC[C@H]1C[C@H]1C(=O)[O-])n1cccn1 ZINC001589336118 1021216282 /nfs/dbraw/zinc/21/62/82/1021216282.db2.gz DTTNSMOVVVUHFS-GMTAPVOTSA-N -1 0 308.338 -0.261 20 0 DBADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cccs1)N1CCNCC1=O ZINC001589379061 1021219361 /nfs/dbraw/zinc/21/93/61/1021219361.db2.gz YBMRTWBVMMSTNN-GZMMTYOYSA-N -1 0 311.363 -0.190 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H]1C(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC001589357003 1021223181 /nfs/dbraw/zinc/22/31/81/1021223181.db2.gz UMFHPFZSNSWHBO-DTWKUNHWSA-N -1 0 309.322 -0.075 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H]1C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001589357152 1021223608 /nfs/dbraw/zinc/22/36/08/1021223608.db2.gz VYMWNBGMNRFNFL-PSASIEDQSA-N -1 0 305.352 -0.346 20 0 DBADRM C[C@H](C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)N1C(=O)CCC1=O ZINC001589352967 1021224038 /nfs/dbraw/zinc/22/40/38/1021224038.db2.gz RDCCFDUOUCKZDG-PELKAZGASA-N -1 0 312.322 -0.792 20 0 DBADRM C[C@@H](C(=O)N[C@@](C)(CO)C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC001589381045 1021230201 /nfs/dbraw/zinc/23/02/01/1021230201.db2.gz LMZVACPWEMDVDM-XPTSAGLGSA-N -1 0 319.321 -0.147 20 0 DBADRM C[C@H](C(=O)N[C@H](CC1OCCO1)C(=O)[O-])[C@@H]1CCC(=O)N1 ZINC001589385985 1021230902 /nfs/dbraw/zinc/23/09/02/1021230902.db2.gz RHOCRQFCKCBQOT-XHNCKOQMSA-N -1 0 300.311 -0.767 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC(N2CCCOC2=O)CC1 ZINC001589397008 1021230954 /nfs/dbraw/zinc/23/09/54/1021230954.db2.gz OQQVHYNSBSZSCQ-SNVBAGLBSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CC(=O)N(Cc2ccccc2)C1 ZINC001589396124 1021231171 /nfs/dbraw/zinc/23/11/71/1021231171.db2.gz ANVFNGHGNLJRHY-NSHDSACASA-N -1 0 305.334 -0.122 20 0 DBADRM C[C@H](C(=O)NC1(C(=O)[O-])CC1)N1C(=O)NC2(CCCC2)C1=O ZINC001589387425 1021231591 /nfs/dbraw/zinc/23/15/91/1021231591.db2.gz HSRCWPVEJQJIPF-MRVPVSSYSA-N -1 0 309.322 -0.027 20 0 DBADRM C[C@@H](C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-])S(C)(=O)=O ZINC001589381216 1021233036 /nfs/dbraw/zinc/23/30/36/1021233036.db2.gz OMIAVGYRMDADRD-GZMMTYOYSA-N -1 0 303.340 -0.724 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(c2nccnc2C(=O)[O-])CC1 ZINC001589398852 1021233204 /nfs/dbraw/zinc/23/32/04/1021233204.db2.gz UZKAMAOGTHEQNS-SNVBAGLBSA-N -1 0 319.365 -0.036 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(C(=O)N2CCCC2)CC1 ZINC001589401105 1021237017 /nfs/dbraw/zinc/23/70/17/1021237017.db2.gz REQCHXDQHWNQHU-LLVKDONJSA-N -1 0 312.370 -0.591 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCc2c(cccc2C(N)=O)C1 ZINC001589401871 1021238046 /nfs/dbraw/zinc/23/80/46/1021238046.db2.gz YVPLFRRHKPDWPP-VIFPVBQESA-N -1 0 305.334 -0.267 20 0 DBADRM C[C@@H](C(=O)NCCC(=O)NCCC(=O)[O-])N1CCSCC1 ZINC001589407751 1021238355 /nfs/dbraw/zinc/23/83/55/1021238355.db2.gz XIYYOTAEKZVWMI-JTQLQIEISA-N -1 0 317.411 -0.479 20 0 DBADRM C[C@H](C(=O)NC[C@H]1C[C@H]1C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001589413756 1021238587 /nfs/dbraw/zinc/23/85/87/1021238587.db2.gz MDIGXYMPBRLKOG-FXPVBKGRSA-N -1 0 319.379 -0.194 20 0 DBADRM CC(C)[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ncon1 ZINC001589466729 1021243018 /nfs/dbraw/zinc/24/30/18/1021243018.db2.gz KVVWWTCJFYANOE-QMMMGPOBSA-N -1 0 318.301 -0.645 20 0 DBADRM C[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])N1CCN(C)CC1 ZINC001589424290 1021247788 /nfs/dbraw/zinc/24/77/88/1021247788.db2.gz UWBKHFGVVBWMIK-PWSUYJOCSA-N -1 0 309.370 -0.843 20 0 DBADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1 ZINC001589498414 1021253604 /nfs/dbraw/zinc/25/36/04/1021253604.db2.gz UAYQITACETVTBE-VIFPVBQESA-N -1 0 319.317 -0.228 20 0 DBADRM C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CC[NH+](C2CC2)CC1 ZINC001589493029 1021254081 /nfs/dbraw/zinc/25/40/81/1021254081.db2.gz BHLZVKXPGUHOQG-MRVPVSSYSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)c1cnn(C[C@@H](O)CO)c1)C1CCC1 ZINC001589478209 1021254322 /nfs/dbraw/zinc/25/43/22/1021254322.db2.gz IEYZMFMSCHATQP-BXKDBHETSA-N -1 0 311.338 -0.296 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)Cn1ccc(=O)n(C)c1=O)C1CCC1 ZINC001589477161 1021256666 /nfs/dbraw/zinc/25/66/66/1021256666.db2.gz MJOMQYZSYHBEFD-SECBINFHSA-N -1 0 309.322 -0.599 20 0 DBADRM CC(C)(C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)S(=O)(=O)C1CC1 ZINC001589560373 1021258904 /nfs/dbraw/zinc/25/89/04/1021258904.db2.gz ALDGBTVJJVNLFB-DTWKUNHWSA-N -1 0 319.379 -0.364 20 0 DBADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C(=O)N[C@H]2CCNC2=O)c1 ZINC001589522459 1021264206 /nfs/dbraw/zinc/26/42/06/1021264206.db2.gz KRZRAWPCAXCOJR-KWQFWETISA-N -1 0 319.317 -0.182 20 0 DBADRM CC(C)C[C@H](CO)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589658632 1021268160 /nfs/dbraw/zinc/26/81/60/1021268160.db2.gz JWWYJSFLFWRZKF-SECBINFHSA-N -1 0 323.361 -0.836 20 0 DBADRM CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)c2cnc3[n-]nnc3c2)CC1 ZINC001589628337 1021268481 /nfs/dbraw/zinc/26/84/81/1021268481.db2.gz DZFXRCZWTHXJOI-UHFFFAOYSA-N -1 0 318.337 -0.026 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)NC2CCOCC2)cn1 ZINC001589659530 1021275433 /nfs/dbraw/zinc/27/54/33/1021275433.db2.gz ACFLQXKBOSLYQM-UHFFFAOYSA-N -1 0 324.337 -0.064 20 0 DBADRM CC(C)(C)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001589694083 1021276423 /nfs/dbraw/zinc/27/64/23/1021276423.db2.gz UICNKYFNLUMPHV-RKDXNWHRSA-N -1 0 308.338 -0.113 20 0 DBADRM CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001589692720 1021276728 /nfs/dbraw/zinc/27/67/28/1021276728.db2.gz BYCYUYSNWPUVJB-VHSXEESVSA-N -1 0 300.355 -0.310 20 0 DBADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001589702300 1021278019 /nfs/dbraw/zinc/27/80/19/1021278019.db2.gz BHHOBOWYJVBXAN-SECBINFHSA-N -1 0 311.338 -0.068 20 0 DBADRM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001589690173 1021280093 /nfs/dbraw/zinc/28/00/93/1021280093.db2.gz FWCIFGZSCMEBCE-JGVFFNPUSA-N -1 0 304.368 -0.504 20 0 DBADRM CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001589692721 1021282924 /nfs/dbraw/zinc/28/29/24/1021282924.db2.gz BYCYUYSNWPUVJB-ZJUUUORDSA-N -1 0 300.355 -0.310 20 0 DBADRM CC(C)(C)C(=O)C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001589684201 1021283025 /nfs/dbraw/zinc/28/30/25/1021283025.db2.gz BMRIEGNSEPFKOX-MRVPVSSYSA-N -1 0 324.337 -0.899 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)NCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001589690295 1021283168 /nfs/dbraw/zinc/28/31/68/1021283168.db2.gz LWFQLZIZLTXZCF-IUCAKERBSA-N -1 0 313.354 -0.898 20 0 DBADRM CC(C)(C)C(=O)C(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001589685243 1021284317 /nfs/dbraw/zinc/28/43/17/1021284317.db2.gz WDZJSIZYWHEZRJ-ZJUUUORDSA-N -1 0 310.350 -0.103 20 0 DBADRM CC(C)(C)C(=O)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001589685250 1021285054 /nfs/dbraw/zinc/28/50/54/1021285054.db2.gz WLRYTGAECUWNDG-JVXZTZIISA-N -1 0 305.352 -0.394 20 0 DBADRM CC(C)(C)[C@H]1CS(=O)(=O)CCN1C(=O)COCC(=O)[O-] ZINC001589735655 1021287055 /nfs/dbraw/zinc/28/70/55/1021287055.db2.gz XFVPXXAKPULBGB-SECBINFHSA-N -1 0 307.368 -0.241 20 0 DBADRM CC(C)(C)CC(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1 ZINC001589740837 1021288581 /nfs/dbraw/zinc/28/85/81/1021288581.db2.gz LLRYLKJJXYJKBR-SECBINFHSA-N -1 0 310.354 -0.078 20 0 DBADRM CC(C)OC(=O)CCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589733121 1021292975 /nfs/dbraw/zinc/29/29/75/1021292975.db2.gz DLZKXVRKYPMAAA-QMMMGPOBSA-N -1 0 322.329 -0.523 20 0 DBADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001589707075 1021295850 /nfs/dbraw/zinc/29/58/50/1021295850.db2.gz YXPZHURIHKQTKL-MNOVXSKESA-N -1 0 313.354 -0.145 20 0 DBADRM CC(C)SCC(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001589760972 1021299017 /nfs/dbraw/zinc/29/90/17/1021299017.db2.gz BRBJJFRTOMWTQI-UHFFFAOYSA-N -1 0 322.398 -0.252 20 0 DBADRM CC(C)c1ocnc1Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC001589780372 1021299724 /nfs/dbraw/zinc/29/97/24/1021299724.db2.gz DVGLTABXQFSQEL-UHFFFAOYSA-N -1 0 317.309 -0.113 20 0 DBADRM C[C@H](CC(=O)NCCn1cnc(-c2nnn[n-]2)n1)n1cccn1 ZINC001589793495 1021302830 /nfs/dbraw/zinc/30/28/30/1021302830.db2.gz UTRLYEQORFGJPU-SECBINFHSA-N -1 0 316.329 -0.578 20 0 DBADRM CC(C)(C)N1C[C@@H](C(=O)N[C@H](Cn2cncn2)C(=O)[O-])CC1=O ZINC001589796081 1021305766 /nfs/dbraw/zinc/30/57/66/1021305766.db2.gz NBXQWUQAHMTFFC-VHSXEESVSA-N -1 0 323.353 -0.506 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CS(=O)(=O)CCCC(=O)[O-] ZINC001589823451 1021307327 /nfs/dbraw/zinc/30/73/27/1021307327.db2.gz AVQZQHIWHWDQRL-UHFFFAOYSA-N -1 0 322.383 -0.703 20 0 DBADRM CC(C)(C)N1CCC[C@@H](C(=O)NCC[C@H](O)C(=O)[O-])C1=O ZINC001589817670 1021310639 /nfs/dbraw/zinc/31/06/39/1021310639.db2.gz FVQBQKOZPZRPFD-UWVGGRQHSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@H](CCO)CCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001589834881 1021313845 /nfs/dbraw/zinc/31/38/45/1021313845.db2.gz RDJWHMVVROSKGW-QMMMGPOBSA-N -1 0 323.357 -0.915 20 0 DBADRM CC(C)(C)NC(=O)NC(=O)CN1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001589830508 1021316788 /nfs/dbraw/zinc/31/67/88/1021316788.db2.gz PDDAKKXCHUKDIO-SCZZXKLOSA-N -1 0 301.343 -0.479 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)CCC(=O)[O-] ZINC001589834977 1021317240 /nfs/dbraw/zinc/31/72/40/1021317240.db2.gz RBZFLXJEKKALRD-UHFFFAOYSA-N -1 0 309.340 -0.319 20 0 DBADRM CC(C)(C)OC(=O)C1(C(=O)N[C@@H](CO)C(=O)[O-])CCOCC1 ZINC001589852240 1021317706 /nfs/dbraw/zinc/31/77/06/1021317706.db2.gz SABCOYQDNYWNQV-VIFPVBQESA-N -1 0 317.338 -0.313 20 0 DBADRM CC(C)(C)OC(=O)C1(C(=O)NCC(=O)NCC(=O)[O-])CCC1 ZINC001589849387 1021319210 /nfs/dbraw/zinc/31/92/10/1021319210.db2.gz UMSFHUVFHOIHDT-UHFFFAOYSA-N -1 0 314.338 -0.185 20 0 DBADRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)C[C@@H]1CC(=O)N1 ZINC001589877727 1021324001 /nfs/dbraw/zinc/32/40/01/1021324001.db2.gz MWFDWBKCEWIJAU-VIFPVBQESA-N -1 0 314.338 -0.090 20 0 DBADRM CC(C)(C)OC(=O)CCCC(=O)NCC(=O)NCC(=O)[O-] ZINC001589873640 1021324604 /nfs/dbraw/zinc/32/46/04/1021324604.db2.gz SXZDPTCPEUSWPI-UHFFFAOYSA-N -1 0 302.327 -0.185 20 0 DBADRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)[C@]1(O)CCOC1 ZINC001589878030 1021326759 /nfs/dbraw/zinc/32/67/59/1021326759.db2.gz LAOYLAITONVJCM-AWEZNQCLSA-N -1 0 317.338 -0.217 20 0 DBADRM C[C@@H](Cn1cccn1)OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589903419 1021331398 /nfs/dbraw/zinc/33/13/98/1021331398.db2.gz BTHKONBVBDGPAP-IUCAKERBSA-N -1 0 317.313 -0.152 20 0 DBADRM C[C@H](C(=O)O[C@@H](C)Cn1cccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001589903418 1021335054 /nfs/dbraw/zinc/33/50/54/1021335054.db2.gz BTHKONBVBDGPAP-DTWKUNHWSA-N -1 0 317.313 -0.152 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N[C@H](CO)C(=O)[O-])C1 ZINC001589979799 1021342627 /nfs/dbraw/zinc/34/26/27/1021342627.db2.gz YVAGOOBYTJCRNK-OQPBUACISA-N -1 0 320.317 -0.103 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)s1)C(=O)[O-] ZINC001589976775 1021344847 /nfs/dbraw/zinc/34/48/47/1021344847.db2.gz VOFYBVLLEUXMEH-SCSAIBSYSA-N -1 0 303.325 -0.320 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)c1ncnn1C ZINC001589976684 1021347338 /nfs/dbraw/zinc/34/73/38/1021347338.db2.gz UQEXKCKBSBCCMC-LURJTMIESA-N -1 0 324.326 -0.372 20 0 DBADRM C[C@H](O)CN(C1CC1)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001590000413 1021360953 /nfs/dbraw/zinc/36/09/53/1021360953.db2.gz NCEIMDIMOWGANH-QMMMGPOBSA-N -1 0 324.366 -0.204 20 0 DBADRM C[C@H](O)[C@H]1CCCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590000784 1021361968 /nfs/dbraw/zinc/36/19/68/1021361968.db2.gz FWPFQGVROFDXIP-DTWKUNHWSA-N -1 0 321.345 -0.987 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N[C@@H](CO)C(=O)[O-])[C@H]2C1 ZINC001590099627 1021381302 /nfs/dbraw/zinc/38/13/02/1021381302.db2.gz UMCIMKAKFUNDTP-QCLAVDOMSA-N -1 0 314.338 -0.339 20 0 DBADRM CC1(C)[C@H](CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1(F)F ZINC001590075799 1021382114 /nfs/dbraw/zinc/38/21/14/1021382114.db2.gz BUKAIKBSELAXDQ-LURJTMIESA-N -1 0 312.284 -0.134 20 0 DBADRM CC1(C)[C@@H](CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1(F)F ZINC001590075800 1021383139 /nfs/dbraw/zinc/38/31/39/1021383139.db2.gz BUKAIKBSELAXDQ-ZCFIWIBFSA-N -1 0 312.284 -0.134 20 0 DBADRM CC1(C)OC[C@H]2C[C@]21C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590120273 1021387944 /nfs/dbraw/zinc/38/79/44/1021387944.db2.gz WZFSSPVQYQAIRS-AMIZOPFISA-N -1 0 318.341 -0.611 20 0 DBADRM C[C@@]1(CO)CCCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590137214 1021389147 /nfs/dbraw/zinc/38/91/47/1021389147.db2.gz VLBYSTPOJKYTPN-LBPRGKRZSA-N -1 0 321.345 -0.985 20 0 DBADRM CC1=C(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCCO1 ZINC001590156295 1021394905 /nfs/dbraw/zinc/39/49/05/1021394905.db2.gz YPUVVZKNERNCCA-UHFFFAOYSA-N -1 0 304.314 -0.341 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC1(C(=O)[O-])CC1 ZINC001590150122 1021396637 /nfs/dbraw/zinc/39/66/37/1021396637.db2.gz DTUBLCWCUWLGRT-UHFFFAOYSA-N -1 0 315.326 -0.639 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCC[C@H](O)C(=O)[O-] ZINC001590163857 1021407860 /nfs/dbraw/zinc/40/78/60/1021407860.db2.gz YZBOBFHVYKYHLL-IUCAKERBSA-N -1 0 320.342 -0.786 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590165337 1021408723 /nfs/dbraw/zinc/40/87/23/1021408723.db2.gz YOBAQRNRROCZFY-SSDOTTSWSA-N -1 0 302.294 -0.168 20 0 DBADRM C[C@@H]1C[C@H](CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@H](C)O1 ZINC001590194104 1021412562 /nfs/dbraw/zinc/41/25/62/1021412562.db2.gz PLWFXJUAFYLEEL-GJMOJQLCSA-N -1 0 321.341 -0.109 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001590189172 1021418577 /nfs/dbraw/zinc/41/85/77/1021418577.db2.gz HRTVVGKSSBJMSV-HTQZYQBOSA-N -1 0 305.342 -0.264 20 0 DBADRM C[C@H]1C[C@H](C(=O)NCCNc2ccnc(-c3nnn[n-]3)n2)CO1 ZINC001590183959 1021423933 /nfs/dbraw/zinc/42/39/33/1021423933.db2.gz WVJKOSZJNAPUAW-IUCAKERBSA-N -1 0 318.341 -0.968 20 0 DBADRM C[C@@H]1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@@H](C)O1 ZINC001590208477 1021427473 /nfs/dbraw/zinc/42/74/73/1021427473.db2.gz WUKJCAZWWFOXPD-FSDSQADBSA-N -1 0 307.314 -0.356 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCCOCC(=O)[O-] ZINC001590206997 1021429070 /nfs/dbraw/zinc/42/90/70/1021429070.db2.gz YBJLYNPLTSVECS-QMMMGPOBSA-N -1 0 306.315 -0.911 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590216084 1021429288 /nfs/dbraw/zinc/42/92/88/1021429288.db2.gz NVANSBDBUKHMSM-AXTSPUMRSA-N -1 0 314.353 -0.206 20 0 DBADRM C[C@@H]1CCCN(C(=O)Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)C1 ZINC001590260647 1021432463 /nfs/dbraw/zinc/43/24/63/1021432463.db2.gz HYCCEGWPHWFVKG-MRVPVSSYSA-N -1 0 319.325 -0.613 20 0 DBADRM CC(C)(C)OC(=O)NOCC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001590232939 1021432950 /nfs/dbraw/zinc/43/29/50/1021432950.db2.gz MGBUDLWPUZDEIU-RKDXNWHRSA-N -1 0 318.326 -0.263 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](COC(=O)[C@@H]1COC(=O)N1)C(=O)[O-] ZINC001590250158 1021438787 /nfs/dbraw/zinc/43/87/87/1021438787.db2.gz VZGGRPUXUMWXEP-BQBZGAKWSA-N -1 0 318.282 -0.384 20 0 DBADRM CC(C)(C)OC(=O)NOCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001590232928 1021439996 /nfs/dbraw/zinc/43/99/96/1021439996.db2.gz MESDSGSVXZHWQY-MRVPVSSYSA-N -1 0 304.299 -0.245 20 0 DBADRM CC(C)(C)OC(=O)N[C@H]1C[C@H]1C(=O)NCC(=O)NCC(=O)[O-] ZINC001590296110 1021447716 /nfs/dbraw/zinc/44/77/16/1021447716.db2.gz DQVSZZQYJWMGDI-SFYZADRCSA-N -1 0 315.326 -0.783 20 0 DBADRM C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C[C@H](C)S1 ZINC001590312323 1021454581 /nfs/dbraw/zinc/45/45/81/1021454581.db2.gz HOZWFLMGJFIEIG-KNVOCYPGSA-N -1 0 323.382 -0.416 20 0 DBADRM C[C@@H]1COCC[C@H]1CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590321460 1021459046 /nfs/dbraw/zinc/45/90/46/1021459046.db2.gz CARLZDSSMFPXGS-SFYZADRCSA-N -1 0 321.341 -0.250 20 0 DBADRM C[C@@H](C(=O)N[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590333199 1021463541 /nfs/dbraw/zinc/46/35/41/1021463541.db2.gz BZFIAEQLUQASMP-SOYHJAILSA-N -1 0 320.357 -0.053 20 0 DBADRM C[C@@H](C(=O)N1CCCOC[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590326077 1021463880 /nfs/dbraw/zinc/46/38/80/1021463880.db2.gz NKOBBEWFEOJAJS-IUCAKERBSA-N -1 0 306.330 -0.343 20 0 DBADRM C[C@H](C(=O)O[C@H]1CCOC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590323174 1021464347 /nfs/dbraw/zinc/46/43/47/1021464347.db2.gz IULGJAINQGGZIO-HLTSFMKQSA-N -1 0 307.314 -0.013 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590326108 1021465532 /nfs/dbraw/zinc/46/55/32/1021465532.db2.gz ODHBBXPVKDJKJW-SECBINFHSA-N -1 0 306.326 -0.090 20 0 DBADRM C[C@H](C(=O)N1CCO[C@@H](C)[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590338892 1021468489 /nfs/dbraw/zinc/46/84/89/1021468489.db2.gz VCTRMBNDXYSVTC-YIZRAAEISA-N -1 0 306.330 -0.345 20 0 DBADRM CC=CC[C@@H]1NC(=O)N(CCn2cnc(-c3nnn[n-]3)n2)C1=O ZINC001590352921 1021469294 /nfs/dbraw/zinc/46/92/94/1021469294.db2.gz DOHSVNKXJBZKRH-KZUAUGPASA-N -1 0 317.313 -0.655 20 0 DBADRM C[C@H]1OCC[C@@]1(C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590335838 1021470039 /nfs/dbraw/zinc/47/00/39/1021470039.db2.gz OUHSPWRVVVFGNT-PRHODGIISA-N -1 0 321.345 -0.675 20 0 DBADRM C/C=C/C[C@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590353926 1021470083 /nfs/dbraw/zinc/47/00/83/1021470083.db2.gz QRPTUMASTINKMB-KGGZQZJCSA-N -1 0 307.314 -0.595 20 0 DBADRM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H]1COC(=O)N1 ZINC001590341439 1021471746 /nfs/dbraw/zinc/47/17/46/1021471746.db2.gz OIMLRVBIAFYFCT-JGVFFNPUSA-N -1 0 316.310 -0.214 20 0 DBADRM C[C@@H](C(=O)N1CCO[C@@H](C)[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590338887 1021472817 /nfs/dbraw/zinc/47/28/17/1021472817.db2.gz VCTRMBNDXYSVTC-CIUDSAMLSA-N -1 0 306.330 -0.345 20 0 DBADRM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1COC(=O)N1 ZINC001590341441 1021473163 /nfs/dbraw/zinc/47/31/63/1021473163.db2.gz OIMLRVBIAFYFCT-YUMQZZPRSA-N -1 0 316.310 -0.214 20 0 DBADRM CC(C)(C)OC(=O)c1cc(C(=O)N[C@](C)(CO)C(=O)[O-])[nH]n1 ZINC001590359998 1021482476 /nfs/dbraw/zinc/48/24/76/1021482476.db2.gz NTXHQODLMBXTII-CYBMUJFWSA-N -1 0 313.310 -0.070 20 0 DBADRM CC[C@H](C)CONC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590411192 1021487687 /nfs/dbraw/zinc/48/76/87/1021487687.db2.gz VBNGYMZUEUKAMC-QMMMGPOBSA-N -1 0 309.334 -0.265 20 0 DBADRM CC[C@@H](CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1)OC ZINC001590441593 1021488380 /nfs/dbraw/zinc/48/83/80/1021488380.db2.gz DEPDWJJXGKBDLJ-QMMMGPOBSA-N -1 0 309.334 -0.818 20 0 DBADRM CC[C@H](C[C@H](C)O)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001590420746 1021491400 /nfs/dbraw/zinc/49/14/00/1021491400.db2.gz BATIZKVEKYHWBE-JGVFFNPUSA-N -1 0 323.357 -0.775 20 0 DBADRM CC[C@@H](CS(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1)OC ZINC001590446675 1021500868 /nfs/dbraw/zinc/50/08/68/1021500868.db2.gz FUCBRMDJYDOGOA-ZETCQYMHSA-N -1 0 315.359 -0.233 20 0 DBADRM CCC(F)(F)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590451319 1021502551 /nfs/dbraw/zinc/50/25/51/1021502551.db2.gz DFCUZIPJQIPFIJ-UHFFFAOYSA-N -1 0 315.288 -0.197 20 0 DBADRM CC[C@H](CS(=O)(=O)N=c1cc[nH]cc1-c1nnn[n-]1)OC ZINC001590446956 1021502994 /nfs/dbraw/zinc/50/29/94/1021502994.db2.gz IDTCJMZJORJLBI-MRVPVSSYSA-N -1 0 312.355 -0.150 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cncc(-c2nn[nH]n2)c1)C(=O)[O-] ZINC001590471260 1021504432 /nfs/dbraw/zinc/50/44/32/1021504432.db2.gz ALGWKXQROVRJNJ-QMMMGPOBSA-N -1 0 312.311 -0.597 20 0 DBADRM CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590500146 1021504735 /nfs/dbraw/zinc/50/47/35/1021504735.db2.gz OWTWGEXYNKISGQ-SNVBAGLBSA-N -1 0 316.321 -0.077 20 0 DBADRM CCC1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCOCC1 ZINC001590488592 1021511704 /nfs/dbraw/zinc/51/17/04/1021511704.db2.gz ZMQNKIOEBFLEQU-UHFFFAOYSA-N -1 0 320.357 -0.219 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@H](C)CO1 ZINC001590519119 1021516571 /nfs/dbraw/zinc/51/65/71/1021516571.db2.gz VXIWLODIPJMTJT-RKDXNWHRSA-N -1 0 306.330 -0.516 20 0 DBADRM CC(C)(C)n1cc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])nn1 ZINC001590587523 1021521467 /nfs/dbraw/zinc/52/14/67/1021521467.db2.gz UGVAIVQAQUZZJW-QMMMGPOBSA-N -1 0 312.326 -0.021 20 0 DBADRM CCCCNC(=O)Cn1c(=O)c(-c2nnn[n-]2)cn(CC)c1=O ZINC001590603741 1021526479 /nfs/dbraw/zinc/52/64/79/1021526479.db2.gz PROZLWYSQHPMQF-UHFFFAOYSA-N -1 0 321.341 -0.874 20 0 DBADRM CCCCOCCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590612280 1021527304 /nfs/dbraw/zinc/52/73/04/1021527304.db2.gz BMKDQBDAOZSKME-VIFPVBQESA-N -1 0 308.346 -0.048 20 0 DBADRM CCCCOCCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590612279 1021530017 /nfs/dbraw/zinc/53/00/17/1021530017.db2.gz BMKDQBDAOZSKME-SECBINFHSA-N -1 0 308.346 -0.048 20 0 DBADRM CCCn1nccc1NC(=O)Cn1cc(-c2nnn[n-]2)nn1 ZINC001590665203 1021535522 /nfs/dbraw/zinc/53/55/22/1021535522.db2.gz RFBXDJCYLKRVIG-UHFFFAOYSA-N -1 0 302.302 -0.297 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[nH]n2)nc1 ZINC001590648931 1021535567 /nfs/dbraw/zinc/53/55/67/1021535567.db2.gz DOKIHLUQYHLZAC-UHFFFAOYSA-N -1 0 310.339 -0.340 20 0 DBADRM CCN(C(=O)c1ccc(-c2nnn[n-]2)o1)[C@@H]1CC(=O)NC1=O ZINC001590673942 1021537438 /nfs/dbraw/zinc/53/74/38/1021537438.db2.gz UBLHCFPDXOIJKI-ZCFIWIBFSA-N -1 0 304.266 -0.663 20 0 DBADRM CCC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(N)=O ZINC001590653603 1021538379 /nfs/dbraw/zinc/53/83/79/1021538379.db2.gz KPPBBINJHJVQOO-LURJTMIESA-N -1 0 314.327 -0.608 20 0 DBADRM CCN(CC1CC1)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590690506 1021540738 /nfs/dbraw/zinc/54/07/38/1021540738.db2.gz QVNFDGQGPQUNPH-UHFFFAOYSA-N -1 0 319.325 -0.613 20 0 DBADRM CC(C)(CCNS(=O)(=O)CCCC(=O)[O-])S(C)(=O)=O ZINC001590689419 1021541177 /nfs/dbraw/zinc/54/11/77/1021541177.db2.gz HIOCLRIXBCAAOV-UHFFFAOYSA-N -1 0 315.413 -0.016 20 0 DBADRM CCN(CC)c1nnc(Cn2cnc(-c3nnn[n-]3)n2)n1C ZINC001590690565 1021542072 /nfs/dbraw/zinc/54/20/72/1021542072.db2.gz USIXMFRRKQIGMC-UHFFFAOYSA-N -1 0 303.334 -0.519 20 0 DBADRM CCN(C[C@@H]1CCOC1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590690924 1021543183 /nfs/dbraw/zinc/54/31/83/1021543183.db2.gz MJRZALVOXBLTJG-VIFPVBQESA-N -1 0 306.330 -0.657 20 0 DBADRM CCN(CC)C(=O)COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590684062 1021544433 /nfs/dbraw/zinc/54/44/33/1021544433.db2.gz MLEGKJUQZHEGLY-MRVPVSSYSA-N -1 0 322.329 -0.569 20 0 DBADRM CCN(C[C@H]1CCCO1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590691276 1021545018 /nfs/dbraw/zinc/54/50/18/1021545018.db2.gz LCHACKQPWLLYOW-MRVPVSSYSA-N -1 0 321.341 -0.741 20 0 DBADRM CC(C)(CNC(=O)Cn1ccc(C(=O)[O-])n1)CS(N)(=O)=O ZINC001590713601 1021548395 /nfs/dbraw/zinc/54/83/95/1021548395.db2.gz UGSKJFRLQFZEHE-UHFFFAOYSA-N -1 0 318.355 -0.988 20 0 DBADRM CC(C)(CNC(=O)COCC(=O)[O-])N1CCS(=O)CC1 ZINC001590713099 1021549485 /nfs/dbraw/zinc/54/94/85/1021549485.db2.gz KLQHBZJCTDTHPO-UHFFFAOYSA-N -1 0 306.384 -0.953 20 0 DBADRM CC(C)(CNC(=O)Cn1ccc(C(=O)[O-])n1)CS(C)(=O)=O ZINC001590713643 1021549578 /nfs/dbraw/zinc/54/95/78/1021549578.db2.gz XUOLLPCLNJAVQT-UHFFFAOYSA-N -1 0 317.367 -0.232 20 0 DBADRM CC(C)(CNC(=O)C(=O)N1CCC[C@](C)(O)C1)CC(=O)[O-] ZINC001590702652 1021551677 /nfs/dbraw/zinc/55/16/77/1021551677.db2.gz NMDJVWYQDYQDDH-AWEZNQCLSA-N -1 0 300.355 -0.023 20 0 DBADRM CC(C)(CNC(=O)C1(S(C)(=O)=O)CCOCC1)C(=O)[O-] ZINC001590706651 1021552131 /nfs/dbraw/zinc/55/21/31/1021552131.db2.gz WBJZJRINIFYGAA-UHFFFAOYSA-N -1 0 307.368 -0.193 20 0 DBADRM CC(C)(CNC(=O)Cn1nc2n(c1=O)CCCC2)CC(=O)[O-] ZINC001590713583 1021552475 /nfs/dbraw/zinc/55/24/75/1021552475.db2.gz RVCWTCBCYCXNPH-UHFFFAOYSA-N -1 0 310.354 -0.002 20 0 DBADRM CC(C)(CNC(=O)NCC1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001590723222 1021553875 /nfs/dbraw/zinc/55/38/75/1021553875.db2.gz PVSHAODNYRDKNO-UHFFFAOYSA-N -1 0 307.372 -0.712 20 0 DBADRM CCN1CCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001590735257 1021559681 /nfs/dbraw/zinc/55/96/81/1021559681.db2.gz QZRBUIKDNVLYSG-VIFPVBQESA-N -1 0 305.346 -0.817 20 0 DBADRM CCNC(=O)N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001590743790 1021560521 /nfs/dbraw/zinc/56/05/21/1021560521.db2.gz CHLNVWZBHVMPMC-UHFFFAOYSA-N -1 0 303.330 -0.492 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCN(CC(F)F)CC1 ZINC001518619877 1021563190 /nfs/dbraw/zinc/56/31/90/1021563190.db2.gz RDDKCBBIUDAYEL-UHFFFAOYSA-N -1 0 319.316 -0.872 20 0 DBADRM CC(C)(CNC(N)=O)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001590756887 1021567574 /nfs/dbraw/zinc/56/75/74/1021567574.db2.gz HPMGNZDRNOVIFF-DTWKUNHWSA-N -1 0 301.343 -0.038 20 0 DBADRM CCOC(=O)C(C)(C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590749565 1021572970 /nfs/dbraw/zinc/57/29/70/1021572970.db2.gz GSTKNHIXRQYTGO-SSDOTTSWSA-N -1 0 322.329 -0.523 20 0 DBADRM CCOC(=O)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590767419 1021575305 /nfs/dbraw/zinc/57/53/05/1021575305.db2.gz LDUMXQLURVAXJC-MRVPVSSYSA-N -1 0 304.314 -0.279 20 0 DBADRM CCOC(=O)c1cnn(Cc2n[nH]c(=O)[n-]2)c1-c1nn[nH]n1 ZINC001590775470 1021576395 /nfs/dbraw/zinc/57/63/95/1021576395.db2.gz LCIQEUWJTOYCNG-UHFFFAOYSA-N -1 0 305.258 -0.888 20 0 DBADRM CCOC(=O)C[C@@H](O)Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001590762289 1021577795 /nfs/dbraw/zinc/57/77/95/1021577795.db2.gz GZFPNCUXELMOBI-SECBINFHSA-N -1 0 307.310 -0.349 20 0 DBADRM CCO[C@@H](C)C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001590781743 1021578291 /nfs/dbraw/zinc/57/82/91/1021578291.db2.gz WITDGDYGXWDLNF-QMMMGPOBSA-N -1 0 306.330 -0.968 20 0 DBADRM CC(C)(CNS(N)(=O)=O)NCc1ncc(C(=O)[O-])s1 ZINC001590774307 1021579458 /nfs/dbraw/zinc/57/94/58/1021579458.db2.gz PIAFQKBCXMWQEH-UHFFFAOYSA-N -1 0 308.385 -0.497 20 0 DBADRM CC(C)(CS(=O)(=O)N[C@@H](CO)C[C@H]1CCCO1)C(=O)[O-] ZINC001590799311 1021581103 /nfs/dbraw/zinc/58/11/03/1021581103.db2.gz PUTJEEVBAICJDP-NXEZZACHSA-N -1 0 309.384 -0.053 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCc2n[nH]c(=O)cc2C1)C(=O)[O-] ZINC001590798034 1021581338 /nfs/dbraw/zinc/58/13/38/1021581338.db2.gz JCTRNAOZBNXFOA-UHFFFAOYSA-N -1 0 315.351 -0.019 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCCn2nncc2C1)C(=O)[O-] ZINC001590798124 1021582319 /nfs/dbraw/zinc/58/23/19/1021582319.db2.gz LNAVUVPNXDEZFO-UHFFFAOYSA-N -1 0 302.356 -0.076 20 0 DBADRM CC(C)(CO)NC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001590783219 1021582880 /nfs/dbraw/zinc/58/28/80/1021582880.db2.gz CEXBADBYEVQDQY-UHFFFAOYSA-N -1 0 324.289 -0.061 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCN([C@@H]2CCOC2)CC1)C(=O)[O-] ZINC001590798562 1021585743 /nfs/dbraw/zinc/58/57/43/1021585743.db2.gz YBHIJDJGLUDBGZ-LLVKDONJSA-N -1 0 320.411 -0.167 20 0 DBADRM CC(C)(CS(=O)(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1)C(=O)[O-] ZINC001590803041 1021587522 /nfs/dbraw/zinc/58/75/22/1021587522.db2.gz IEAFZHUWJZEBPK-UTLUCORTSA-N -1 0 307.368 -0.180 20 0 DBADRM CCOCCO[C@@H](C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590814658 1021589642 /nfs/dbraw/zinc/58/96/42/1021589642.db2.gz IWADDLIERQPFMS-VIFPVBQESA-N -1 0 324.345 -0.984 20 0 DBADRM CCOCCC(=O)NC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001590805504 1021590017 /nfs/dbraw/zinc/59/00/17/1021590017.db2.gz GAMZXEZBPFCYNX-SECBINFHSA-N -1 0 320.357 -0.578 20 0 DBADRM C/C(=C\C(=O)N1CC[C@@H](c2nnn[n-]2)C1)CN1CCOCC1 ZINC001520461008 1021593831 /nfs/dbraw/zinc/59/38/31/1021593831.db2.gz SWJLPFWXJJEHDV-JATZPVMKSA-N -1 0 306.370 -0.206 20 0 DBADRM CC(C)(NC(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1)C(=O)[O-] ZINC001590835905 1021594875 /nfs/dbraw/zinc/59/48/75/1021594875.db2.gz DCLMNPOFVLXDKH-VIFPVBQESA-N -1 0 324.337 -0.163 20 0 DBADRM CC[C@@H](NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C)C(N)=O ZINC001590856447 1021599949 /nfs/dbraw/zinc/59/99/49/1021599949.db2.gz VVFQYJVRIWQXSJ-SSDOTTSWSA-N -1 0 305.298 -0.731 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001590847918 1021601310 /nfs/dbraw/zinc/60/13/10/1021601310.db2.gz XQZBBYDLXILGAF-MRVPVSSYSA-N -1 0 311.371 -0.084 20 0 DBADRM CC(C)(NS(=O)(=O)CCC[C@H]1CCOC1)[C@H](O)C(=O)[O-] ZINC001590874644 1021602322 /nfs/dbraw/zinc/60/23/22/1021602322.db2.gz JYBQSGATWVZGDG-VHSXEESVSA-N -1 0 309.384 -0.053 20 0 DBADRM CC(C)(O)CCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001590898175 1021603704 /nfs/dbraw/zinc/60/37/04/1021603704.db2.gz IFOYUQLUASLIFM-VIFPVBQESA-N -1 0 307.368 -0.362 20 0 DBADRM CCc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)[nH]1 ZINC001590903399 1021603982 /nfs/dbraw/zinc/60/39/82/1021603982.db2.gz UHWQLCBUWKHRIU-UHFFFAOYSA-N -1 0 321.326 -0.257 20 0 DBADRM CC(C)(O)C(C)(C)CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001590882611 1021604171 /nfs/dbraw/zinc/60/41/71/1021604171.db2.gz IYHINDYSGAMCNL-DTORHVGOSA-N -1 0 300.355 -0.121 20 0 DBADRM CCc1cc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)[nH]n1 ZINC001590882151 1021604968 /nfs/dbraw/zinc/60/49/68/1021604968.db2.gz WKPGOSMBYPCJDM-UHFFFAOYSA-N -1 0 302.302 -0.940 20 0 DBADRM CCc1cncc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c1 ZINC001590900925 1021605533 /nfs/dbraw/zinc/60/55/33/1021605533.db2.gz HRSJSGKARTXADL-UHFFFAOYSA-N -1 0 313.325 -0.154 20 0 DBADRM CC(C)(O)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001590893735 1021605981 /nfs/dbraw/zinc/60/59/81/1021605981.db2.gz PGRUWQCJEZBPLA-DBIOUOCHSA-N -1 0 312.366 -0.121 20 0 DBADRM CCc1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)nn1C ZINC001590882531 1021607155 /nfs/dbraw/zinc/60/71/55/1021607155.db2.gz JDIBQCWMJWVIJA-UHFFFAOYSA-N -1 0 302.302 -0.607 20 0 DBADRM CC(C)(O)[C@H]1CCCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001590889418 1021607319 /nfs/dbraw/zinc/60/73/19/1021607319.db2.gz VSDJKRDFSJMPCD-IUCAKERBSA-N -1 0 304.318 -0.465 20 0 DBADRM CCc1nn(C[C@@H]2CNC(=O)O2)c(=O)c(-c2nnn[n-]2)c1CC ZINC001590929794 1021609730 /nfs/dbraw/zinc/60/97/30/1021609730.db2.gz VVSQOCJDFCSPSQ-ZETCQYMHSA-N -1 0 319.325 -0.343 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001590933824 1021611776 /nfs/dbraw/zinc/61/17/76/1021611776.db2.gz XQNKGPONDUHBGI-QJPTWQEYSA-N -1 0 312.366 -0.073 20 0 DBADRM CCc1nn(CC(=O)N2CCC2)c(=O)c(-c2nnn[n-]2)c1CC ZINC001590929592 1021612493 /nfs/dbraw/zinc/61/24/93/1021612493.db2.gz YHGBEQJCEWSEQM-UHFFFAOYSA-N -1 0 317.353 -0.220 20 0 DBADRM CCc1nn(C)cc1NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590929370 1021612733 /nfs/dbraw/zinc/61/27/33/1021612733.db2.gz LWOPKUXNKFYIRH-SSDOTTSWSA-N -1 0 316.329 -0.046 20 0 DBADRM CC(C)C(=O)NCCCNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001590938537 1021614252 /nfs/dbraw/zinc/61/42/52/1021614252.db2.gz IBSJLYWDUCZHAT-MGCOHNPYSA-N -1 0 313.354 -0.756 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001590938917 1021615026 /nfs/dbraw/zinc/61/50/26/1021615026.db2.gz MGUKAHYTQZJPGR-HZMBPMFUSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@H](C(=O)NC[C@H]1C[C@H]1C(=O)[O-])N1CCCS1(=O)=O ZINC001590958772 1021615233 /nfs/dbraw/zinc/61/52/33/1021615233.db2.gz ZBZCLOUUKCODGV-GMTAPVOTSA-N -1 0 318.395 -0.117 20 0 DBADRM CC(C)C(=O)NCCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001590940278 1021615479 /nfs/dbraw/zinc/61/54/79/1021615479.db2.gz WEPFOGBYNXJJSQ-UHFFFAOYSA-N -1 0 315.351 -0.170 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cnc(C)o2)c1=O ZINC001590950008 1021615501 /nfs/dbraw/zinc/61/55/01/1021615501.db2.gz WOANPPGYNRNVQB-UHFFFAOYSA-N -1 0 303.282 -0.445 20 0 DBADRM CC(C)C(=O)NCCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001590940090 1021617376 /nfs/dbraw/zinc/61/73/76/1021617376.db2.gz LYCXLSNIKKHWFX-JTQLQIEISA-N -1 0 313.354 -0.802 20 0 DBADRM CC(C)C(=O)Nc1cc(C(=O)NCC(=O)NCC(=O)[O-])ccn1 ZINC001590939271 1021618094 /nfs/dbraw/zinc/61/80/94/1021618094.db2.gz UBJDREFTKVPIKO-UHFFFAOYSA-N -1 0 322.321 -0.393 20 0 DBADRM CC(C)[C@@](C)(O)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001590967463 1021619489 /nfs/dbraw/zinc/61/94/89/1021619489.db2.gz WEMAEZRSVOOITI-RVBZMBCESA-N -1 0 303.359 -0.330 20 0 DBADRM CC(C)[C@@H](C)C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001590966801 1021619653 /nfs/dbraw/zinc/61/96/53/1021619653.db2.gz GZQJXQRNNMQXFD-NXEZZACHSA-N -1 0 310.354 -0.222 20 0 DBADRM CC(C)[C@](C)(NS(=O)(=O)c1cncc(C(=O)[O-])c1)C(N)=O ZINC001590967525 1021620129 /nfs/dbraw/zinc/62/01/29/1021620129.db2.gz YJVJECJLGADSFA-LBPRGKRZSA-N -1 0 315.351 -0.042 20 0 DBADRM CC(C)[C@H](C)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001590967460 1021620396 /nfs/dbraw/zinc/62/03/96/1021620396.db2.gz WEABMRLQYVJHPH-GUBZILKMSA-N -1 0 311.338 -0.116 20 0 DBADRM CC(C)[C@H](C)C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001590966803 1021621924 /nfs/dbraw/zinc/62/19/24/1021621924.db2.gz GZQJXQRNNMQXFD-VHSXEESVSA-N -1 0 310.354 -0.222 20 0 DBADRM CC(C)[C@@H](C)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001590967461 1021622225 /nfs/dbraw/zinc/62/22/25/1021622225.db2.gz WEABMRLQYVJHPH-UTLUCORTSA-N -1 0 311.338 -0.116 20 0 DBADRM CC(C)[C@H](CO)ONC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001590989031 1021624222 /nfs/dbraw/zinc/62/42/22/1021624222.db2.gz VCPNHANHLAJAQB-VIFPVBQESA-N -1 0 301.303 -0.776 20 0 DBADRM CN(C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C1CCCC1 ZINC001590986260 1021627459 /nfs/dbraw/zinc/62/74/59/1021627459.db2.gz FQWALDIOGZOCCL-UHFFFAOYSA-N -1 0 319.325 -0.470 20 0 DBADRM CC(C)[C@H](F)C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001590996987 1021627854 /nfs/dbraw/zinc/62/78/54/1021627854.db2.gz SSXFGNKIOQJPDF-WPRPVWTQSA-N -1 0 314.317 -0.520 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001522423568 1021706700 /nfs/dbraw/zinc/70/67/00/1021706700.db2.gz NHYGSHJNZWBSSO-SECBINFHSA-N -1 0 323.353 -0.767 20 0 DBADRM Cc1nc[nH]c(=O)c1CCC(=O)NCCNC(=O)[C@H]1CCCO1 ZINC001522508439 1021739238 /nfs/dbraw/zinc/73/92/38/1021739238.db2.gz QLJMDOXBBJBZRR-GFCCVEGCSA-N -1 0 322.365 -0.165 20 0 DBADRM NC(=O)[C@H]1CC[C@@H]1C(=O)NCCNC(=O)c1ccccc1O ZINC001522522025 1021748350 /nfs/dbraw/zinc/74/83/50/1021748350.db2.gz VTMDVZOLZSHBKL-UWVGGRQHSA-N -1 0 305.334 -0.250 20 0 DBADRM O=C(CN1CCCNC1=O)NCCNC(=O)c1ccccc1O ZINC001522520497 1021748770 /nfs/dbraw/zinc/74/87/70/1021748770.db2.gz DKGIOVUUYDTTIB-UHFFFAOYSA-N -1 0 320.349 -0.347 20 0 DBADRM CC[C@H](C)C(=O)NCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001522522344 1021749570 /nfs/dbraw/zinc/74/95/70/1021749570.db2.gz XPONJVIZVWTVDF-QMMMGPOBSA-N -1 0 306.326 -0.690 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2cc3n(n2)CCO3)c1[O-] ZINC001522592845 1021804673 /nfs/dbraw/zinc/80/46/73/1021804673.db2.gz WEMUHJRRYXDVAE-UHFFFAOYSA-N -1 0 320.309 -0.828 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2c[nH]c(C)cc2=O)c1[O-] ZINC001522591263 1021804805 /nfs/dbraw/zinc/80/48/05/1021804805.db2.gz MIJCFDRJGXSRKU-UHFFFAOYSA-N -1 0 319.321 -0.420 20 0 DBADRM O=C(NCCNC(=O)C1(CF)CC1)c1c[n-]n2c1nccc2=O ZINC001522647930 1021827420 /nfs/dbraw/zinc/82/74/20/1021827420.db2.gz ASAZQWFRUZYSJA-UHFFFAOYSA-N -1 0 321.312 -0.382 20 0 DBADRM C[C@@H]1CCC[C@]1(C)C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001522772908 1021864372 /nfs/dbraw/zinc/86/43/72/1021864372.db2.gz MDVQFPLPPAQYQE-CLAHSXSESA-N -1 0 323.353 -0.045 20 0 DBADRM C[C@]1(C(=O)NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)C=CCC1 ZINC001522782191 1021867360 /nfs/dbraw/zinc/86/73/60/1021867360.db2.gz JSNHRXZTVAUAMH-ZDUSSCGKSA-N -1 0 309.326 -0.722 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)Cc2cnn(C)c2)c1[O-] ZINC001522854918 1021886869 /nfs/dbraw/zinc/88/68/69/1021886869.db2.gz JSRYMPMZJGXKGI-UHFFFAOYSA-N -1 0 320.353 -0.364 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)[C@H]2CCCC(=O)N2)c1[O-] ZINC001522880906 1021894678 /nfs/dbraw/zinc/89/46/78/1021894678.db2.gz BQJVKQRFFCAFIB-SECBINFHSA-N -1 0 323.353 -0.671 20 0 DBADRM CCCC(=O)N(CC)CCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001523915256 1022153772 /nfs/dbraw/zinc/15/37/72/1022153772.db2.gz PRYWMZQWKGTZSR-UHFFFAOYSA-N -1 0 313.358 -0.156 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001524474377 1022304330 /nfs/dbraw/zinc/30/43/30/1022304330.db2.gz PSCHOOIRAZFNPZ-VDAHYXPESA-N -1 0 321.337 -0.437 20 0 DBADRM CC/C(C)=C\C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001524701677 1022341286 /nfs/dbraw/zinc/34/12/86/1022341286.db2.gz MHJHPCJLTNHACN-XZLDQRQTSA-N -1 0 321.337 -0.030 20 0 DBADRM CN(C)C(=O)OCCNS(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001561727623 1024013468 /nfs/dbraw/zinc/01/34/68/1024013468.db2.gz UXEPZVJHGXWQDF-SFHVURJKSA-N -1 0 316.405 -0.907 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001558573093 1023964692 /nfs/dbraw/zinc/96/46/92/1023964692.db2.gz MTGGCJZBONWKBX-JTQLQIEISA-N -1 0 310.372 -0.439 20 0 DBADRM CON(C)C1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC001558581848 1023966666 /nfs/dbraw/zinc/96/66/66/1023966666.db2.gz BLPXORNFNJVCLN-UHFFFAOYSA-N -1 0 314.367 -0.229 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)[nH]n1)C(OC)OC ZINC001561733279 1024014199 /nfs/dbraw/zinc/01/41/99/1024014199.db2.gz FJFLXAXVHLVLBZ-ZETCQYMHSA-N -1 0 321.355 -0.128 20 0 DBADRM CCOC(=O)c1ccccc1S(=O)(=O)NCC(=O)[N-]OC ZINC001561982188 1024017581 /nfs/dbraw/zinc/01/75/81/1024017581.db2.gz RROAJBYRLMGXRR-UHFFFAOYSA-N -1 0 316.335 -0.181 20 0 DBADRM COC(=O)COCC[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001561810825 1024019031 /nfs/dbraw/zinc/01/90/31/1024019031.db2.gz AQPRXACBHLNERU-UHFFFAOYSA-N -1 0 321.307 -0.466 20 0 DBADRM CCO[C@@H]1C[C@@](CO)(NC(=O)NCC(=O)[N-]OC)C1(C)C ZINC001565420366 1024053442 /nfs/dbraw/zinc/05/34/42/1024053442.db2.gz BOTISYFMFZZVAQ-RNCFNFMXSA-N -1 0 303.359 -0.471 20 0 DBADRM CN1CC[C@](Cc2ccccc2)(C(=O)NCc2nnn[n-]2)C1=O ZINC001565584029 1024059520 /nfs/dbraw/zinc/05/95/20/1024059520.db2.gz ICCHCDFNOPOYJZ-HNNXBMFYSA-N -1 0 314.349 -0.093 20 0 DBADRM C=CC(=O)NCCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001565593177 1024061891 /nfs/dbraw/zinc/06/18/91/1024061891.db2.gz DJKCEHWKYOLZJT-UHFFFAOYSA-N -1 0 317.305 -0.702 20 0 DBADRM Cc1noc(CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)n1 ZINC001565636035 1024063181 /nfs/dbraw/zinc/06/31/81/1024063181.db2.gz BITMIBHGWCXCTM-UHFFFAOYSA-N -1 0 316.277 -0.112 20 0 DBADRM C[C@H](NCc1cc(=O)[nH]c(CNC(=O)C2CC=CC2)n1)C(N)=O ZINC001565989783 1024096630 /nfs/dbraw/zinc/09/66/30/1024096630.db2.gz VVUNGCQJWOHKPG-VIFPVBQESA-N -1 0 319.365 -0.272 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C(=O)NCC2CC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001566107762 1024137733 /nfs/dbraw/zinc/13/77/33/1024137733.db2.gz BXFPBTRUFTULLZ-SCZZXKLOSA-N -1 0 322.369 -0.885 20 0 DBADRM Cc1nnc(CC(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)o1 ZINC001566450558 1024166870 /nfs/dbraw/zinc/16/68/70/1024166870.db2.gz ADUJVORYAOPBEY-UHFFFAOYSA-N -1 0 309.330 -0.617 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001566981009 1024441069 /nfs/dbraw/zinc/44/10/69/1024441069.db2.gz XONBDBIPMZQVFW-MWLCHTKSSA-N -1 0 322.239 -0.670 20 0 DBADRM NC(=O)CO[N-]C(=O)Cn1cnc(-c2ccccc2)cc1=O ZINC001566980980 1024442152 /nfs/dbraw/zinc/44/21/52/1024442152.db2.gz WJACTNHJWUZDJB-UHFFFAOYSA-N -1 0 302.290 -0.557 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)CN2CCOC2=O)ccc1[O-] ZINC001567089605 1024512047 /nfs/dbraw/zinc/51/20/47/1024512047.db2.gz NEISXDDODJPCHB-UHFFFAOYSA-N -1 0 315.307 -0.570 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)c2cc[n+]([O-])cc2)ccc1[O-] ZINC001567087343 1024512747 /nfs/dbraw/zinc/51/27/47/1024512747.db2.gz AEDNHDUUHLOUAP-UHFFFAOYSA-N -1 0 309.303 -0.075 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C1(C(=O)C2CC2)CC1 ZINC001567528648 1024768792 /nfs/dbraw/zinc/76/87/92/1024768792.db2.gz KNCXRCQXQIPSML-UHFFFAOYSA-N -1 0 302.352 -0.672 20 0 DBADRM O=C(NC1CN(CCOCC2CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001567799194 1024824072 /nfs/dbraw/zinc/82/40/72/1024824072.db2.gz RKUZXHDDNHYTDB-UHFFFAOYSA-N -1 0 323.353 -0.487 20 0 DBADRM COC(CN(CCCO)C(=O)c1c[n-]n2c1nccc2=O)OC ZINC001567806979 1024824996 /nfs/dbraw/zinc/82/49/96/1024824996.db2.gz TVGXNSXLALKWRQ-UHFFFAOYSA-N -1 0 324.337 -0.534 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC001568305986 1024891847 /nfs/dbraw/zinc/89/18/47/1024891847.db2.gz PFKHRYLSWONVQC-UHFFFAOYSA-N -1 0 315.293 -0.380 20 0 DBADRM CCC(CC)(NC(=O)CN1C(=O)NC(C)(C)C1=O)c1nnn[n-]1 ZINC001568660728 1024980562 /nfs/dbraw/zinc/98/05/62/1024980562.db2.gz LQLCBLMRPJHWBZ-UHFFFAOYSA-N -1 0 323.357 -0.338 20 0 DBADRM C[C@H](C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)n1cccn1 ZINC001568820350 1025028815 /nfs/dbraw/zinc/02/88/15/1025028815.db2.gz XCLSSNBHWDAORC-VMZHVLLKSA-N -1 0 305.342 -0.270 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNCc2nncn2C)c1[O-] ZINC001568836034 1025035996 /nfs/dbraw/zinc/03/59/96/1025035996.db2.gz KRWYTYWEHUDYAR-ARJAWSKDSA-N -1 0 305.342 -0.372 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001568885124 1025063970 /nfs/dbraw/zinc/06/39/70/1025063970.db2.gz QBKKKIYEZHBRKW-SYBPUXJVSA-N -1 0 322.369 -0.669 20 0 DBADRM CC(C)(CO)O[N-]C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001569243237 1025182015 /nfs/dbraw/zinc/18/20/15/1025182015.db2.gz HJEPLLZIWKBKJW-QWRGUYRKSA-N -1 0 309.322 -0.224 20 0 DBADRM CC(C)C[C@@H](C(N)=O)C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001569387483 1025233701 /nfs/dbraw/zinc/23/37/01/1025233701.db2.gz NSYOVCSKPHKPBA-UWVGGRQHSA-N -1 0 324.385 -0.652 20 0 DBADRM O=C(NCCc1cn[nH]c1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001569872242 1025378313 /nfs/dbraw/zinc/37/83/13/1025378313.db2.gz TXDAXNRNCSBVQR-UHFFFAOYSA-N -1 0 314.305 -0.038 20 0 DBADRM Cc1occc1C(=O)N(CCO)CCNCc1nc(=O)n(C)[nH]1 ZINC001569926014 1025405839 /nfs/dbraw/zinc/40/58/39/1025405839.db2.gz LJBLVCWABQUGOC-UHFFFAOYSA-N -1 0 323.353 -0.766 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNCc2ccon2)c1[O-] ZINC001569928939 1025416149 /nfs/dbraw/zinc/41/61/49/1025416149.db2.gz FOJVSJHUEVZQLX-UHFFFAOYSA-N -1 0 309.326 -0.364 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1[O-] ZINC001570132488 1025483146 /nfs/dbraw/zinc/48/31/46/1025483146.db2.gz HUYJJFOBFMDNPG-UHFFFAOYSA-N -1 0 301.249 -0.139 20 0 DBADRM CCS(=O)(=O)CCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001570338770 1025580068 /nfs/dbraw/zinc/58/00/68/1025580068.db2.gz HBWOSOGLWFYSRK-UHFFFAOYSA-N -1 0 320.371 -0.590 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CCCNC(=O)c1cccnc1 ZINC001570741938 1025728352 /nfs/dbraw/zinc/72/83/52/1025728352.db2.gz RCYJPIVUQLJICP-UHFFFAOYSA-N -1 0 319.321 -0.074 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC001570741048 1025729417 /nfs/dbraw/zinc/72/94/17/1025729417.db2.gz AUVNALQQVMMUCT-UHFFFAOYSA-N -1 0 316.273 -0.139 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)C2=CS(=O)(=O)CCC2)n[nH]1 ZINC001571069728 1025808308 /nfs/dbraw/zinc/80/83/08/1025808308.db2.gz PJYNZGRZPDIVBV-UHFFFAOYSA-N -1 0 300.296 -0.537 20 0 DBADRM O=C(C[C@H]1CCC(=O)NC1)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001571070196 1025809723 /nfs/dbraw/zinc/80/97/23/1025809723.db2.gz WNWOORNKZBMMLT-BDAKNGLRSA-N -1 0 300.311 -0.765 20 0 DBADRM C[C@@]1(NC(=O)NCCC(=O)NCCC(=O)[O-])CCCOC1 ZINC001571074761 1025811002 /nfs/dbraw/zinc/81/10/02/1025811002.db2.gz RJQSCPIASWBVJZ-CYBMUJFWSA-N -1 0 301.343 -0.164 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H]1CCOC1(C)C)C(=O)[O-] ZINC001571074745 1025811471 /nfs/dbraw/zinc/81/14/71/1025811471.db2.gz QSQPTDBXMTYEFG-CIUDSAMLSA-N -1 0 301.343 -0.169 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3nc(-c4cnccn4)no3)C[C@@H]21 ZINC001571075445 1025812374 /nfs/dbraw/zinc/81/23/74/1025812374.db2.gz YCRLRZOWTOMAOV-QMSLJYSESA-N -1 0 301.262 -0.071 20 0 DBADRM CN(CC(=O)NCc1ccc(C(=O)[O-])nc1)S(C)(=O)=O ZINC001571074995 1025812472 /nfs/dbraw/zinc/81/24/72/1025812472.db2.gz RHYOIMLOOOPZPQ-UHFFFAOYSA-N -1 0 301.324 -0.713 20 0 DBADRM COC[C@H](NC(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC001571076985 1025812545 /nfs/dbraw/zinc/81/25/45/1025812545.db2.gz QGFKPSMDBBKXLP-QMMMGPOBSA-N -1 0 302.308 -0.686 20 0 DBADRM Cn1nccc1C1(O)CN(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC001571076763 1025812738 /nfs/dbraw/zinc/81/27/38/1025812738.db2.gz IJXZRGLNBLCOQX-UHFFFAOYSA-N -1 0 302.290 -0.143 20 0 DBADRM O=C([O-])C1(NC(=O)Cn2cccn2)CCS(=O)(=O)CC1 ZINC001571075280 1025812904 /nfs/dbraw/zinc/81/29/04/1025812904.db2.gz UCTZJDCVIXJFPS-UHFFFAOYSA-N -1 0 301.324 -0.969 20 0 DBADRM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001571077009 1025813061 /nfs/dbraw/zinc/81/30/61/1025813061.db2.gz ROAONIAPIDMZGI-MRVPVSSYSA-N -1 0 302.327 -0.052 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])o1 ZINC001571077073 1025813191 /nfs/dbraw/zinc/81/31/91/1025813191.db2.gz SWSLGHBGMWDZFU-RQJHMYQMSA-N -1 0 302.308 -0.090 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C(=O)[O-])C1CC1 ZINC001571080349 1025814410 /nfs/dbraw/zinc/81/44/10/1025814410.db2.gz QMLROJIRCKGTQJ-ZETCQYMHSA-N -1 0 303.296 -0.662 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)c1cnn(C2CCC2)c1 ZINC001571080175 1025814544 /nfs/dbraw/zinc/81/45/44/1025814544.db2.gz NUBCPOINPCTWFL-SECBINFHSA-N -1 0 303.340 -0.278 20 0 DBADRM O=C([O-])C1(O)CCN(S(=O)(=O)CCn2ccnc2)CC1 ZINC001571080431 1025814621 /nfs/dbraw/zinc/81/46/21/1025814621.db2.gz QVMRARTZHXVJFN-UHFFFAOYSA-N -1 0 303.340 -0.876 20 0 DBADRM Cn1cc([C@H](O)CNS(=O)(=O)C2(C(=O)[O-])CCC2)cn1 ZINC001571080322 1025815750 /nfs/dbraw/zinc/81/57/50/1025815750.db2.gz QCZYESVHASSDCH-SECBINFHSA-N -1 0 303.340 -0.620 20 0 DBADRM C[C@H](O)CN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)[C@@H](C)CO ZINC001571081022 1025816614 /nfs/dbraw/zinc/81/66/14/1025816614.db2.gz AIDXXMGGWYBLCL-FIQHERPVSA-N -1 0 303.355 -0.154 20 0 DBADRM NC(=O)Cn1cc(NC(=O)c2cc(C(=O)[O-])co2)ccc1=O ZINC001571084092 1025817432 /nfs/dbraw/zinc/81/74/32/1025817432.db2.gz DQFQLKRZXGTWMG-UHFFFAOYSA-N -1 0 305.246 -0.123 20 0 DBADRM CS(=O)(=O)Cc1nnc(C[NH2+][C@@H]2CC[C@H](C(=O)[O-])C2)[n-]1 ZINC001571080552 1025817617 /nfs/dbraw/zinc/81/76/17/1025817617.db2.gz XWXXDRGVBIOVGF-JGVFFNPUSA-N -1 0 302.356 -0.308 20 0 DBADRM Cc1ccc2ncc(C(=O)N[C@](C)(CO)C(=O)[O-])c(=O)n2c1 ZINC001571084636 1025818762 /nfs/dbraw/zinc/81/87/62/1025818762.db2.gz NUKAVPVPECNTHZ-CQSZACIVSA-N -1 0 305.290 -0.432 20 0 DBADRM C[C@](CO)(NC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12)C(=O)[O-] ZINC001571085054 1025818768 /nfs/dbraw/zinc/81/87/68/1025818768.db2.gz KXYJQXHNKDRDFS-DFKRKDTASA-N -1 0 304.302 -0.152 20 0 DBADRM COc1cc(NC(=O)Cn2cccc(C(=O)[O-])c2=O)ncn1 ZINC001571085691 1025819422 /nfs/dbraw/zinc/81/94/22/1025819422.db2.gz SHTVMFZGTPLYJU-UHFFFAOYSA-N -1 0 304.262 -0.016 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001571084715 1025819825 /nfs/dbraw/zinc/81/98/25/1025819825.db2.gz HCHGGXZWQYWDLK-SCVCMEIPSA-N -1 0 304.302 -0.015 20 0 DBADRM Cc1ccnc2nc(C(=O)N3C[C@H](C)O[C@H](C(=O)[O-])C3)nn21 ZINC001571085228 1025819873 /nfs/dbraw/zinc/81/98/73/1025819873.db2.gz WPNHOBCSFLZZHP-IUCAKERBSA-N -1 0 305.294 -0.253 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1nccs1)C(=O)[O-] ZINC001571086709 1025820494 /nfs/dbraw/zinc/82/04/94/1025820494.db2.gz URUFMUPLUZDMMZ-QUBYGPBYSA-N -1 0 304.349 -0.239 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001571086474 1025820950 /nfs/dbraw/zinc/82/09/50/1025820950.db2.gz PJXURAILOAVRQS-KXUCPTDWSA-N -1 0 304.368 -0.363 20 0 DBADRM CC[C@](COC)(NCCC(=O)N(C)CC(=O)[O-])C(=O)OC ZINC001571086937 1025821052 /nfs/dbraw/zinc/82/10/52/1025821052.db2.gz ZQYMWZLHLDVGAF-CYBMUJFWSA-N -1 0 304.343 -0.523 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001571085991 1025821153 /nfs/dbraw/zinc/82/11/53/1025821153.db2.gz VFBNMVSJMGAXBG-UHFFFAOYSA-N -1 0 304.266 -0.561 20 0 DBADRM Cn1cc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])c(C2CC2)n1 ZINC001571086083 1025821323 /nfs/dbraw/zinc/82/13/23/1025821323.db2.gz WNLDDNYIWJEBMW-JTQLQIEISA-N -1 0 304.310 -0.228 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Nc2cccnc2-n2cncn2)C1 ZINC001571085969 1025821355 /nfs/dbraw/zinc/82/13/55/1025821355.db2.gz UYPGRVFMMYOBFD-UHFFFAOYSA-N -1 0 304.266 -0.675 20 0 DBADRM CCS(=O)(=O)CCNC(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001571086444 1025821407 /nfs/dbraw/zinc/82/14/07/1025821407.db2.gz OAEJWQKJHHSKHH-UHFFFAOYSA-N -1 0 304.328 -0.326 20 0 DBADRM O=C([O-])c1cnc(CNC(=O)[C@@H]2CCS(=O)(=O)N2)s1 ZINC001571087750 1025823732 /nfs/dbraw/zinc/82/37/32/1025823732.db2.gz LYRUKRDNZUHTQX-YFKPBYRVSA-N -1 0 305.337 -0.851 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001571091182 1025822395 /nfs/dbraw/zinc/82/23/95/1025822395.db2.gz AXIMAAANGPEHCV-ZCFIWIBFSA-N -1 0 306.282 -0.384 20 0 DBADRM O=C(C[C@H]1CCCS1(=O)=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001571088367 1025822982 /nfs/dbraw/zinc/82/29/82/1025822982.db2.gz XIOYGQPETDFYOW-SKDRFNHKSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)C[C@H]1CCCS1(=O)=O ZINC001571088233 1025823226 /nfs/dbraw/zinc/82/32/26/1025823226.db2.gz VMSWERVUVXZRCV-KKZNHRDASA-N -1 0 305.352 -0.610 20 0 DBADRM C[C@H]1CCS(=O)(=O)CCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001571087928 1025823490 /nfs/dbraw/zinc/82/34/90/1025823490.db2.gz PGMQVTXAPFGHHS-AEJSXWLSSA-N -1 0 305.352 -0.346 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001571092141 1025824812 /nfs/dbraw/zinc/82/48/12/1025824812.db2.gz OWYSIIVIRRXXQL-AATLWQCWSA-N -1 0 306.322 -0.184 20 0 DBADRM O=C([O-])c1cn(CC(=O)Nc2cc(CO)cc(CO)c2)nn1 ZINC001571092074 1025824843 /nfs/dbraw/zinc/82/48/43/1025824843.db2.gz NKFKQAPGLZZIBK-UHFFFAOYSA-N -1 0 306.278 -0.400 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])nn1 ZINC001571092991 1025824992 /nfs/dbraw/zinc/82/49/92/1025824992.db2.gz WSJIPXWREMDIFO-BQBZGAKWSA-N -1 0 306.269 -0.113 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NS(=O)(=O)Cc1ccon1 ZINC001571092106 1025825171 /nfs/dbraw/zinc/82/51/71/1025825171.db2.gz OOMNPHFZTZQTNN-QMMMGPOBSA-N -1 0 306.296 -0.690 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@H](CC(F)F)C(=O)[O-])nn1 ZINC001571092992 1025825484 /nfs/dbraw/zinc/82/54/84/1025825484.db2.gz WSJIPXWREMDIFO-NKWVEPMBSA-N -1 0 306.269 -0.113 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@@H]1CCOC[C@H]1O ZINC001571096017 1025826246 /nfs/dbraw/zinc/82/62/46/1025826246.db2.gz GBBIDHYCCYPJKO-GWOFURMSSA-N -1 0 307.368 -0.301 20 0 DBADRM CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@H](C)CS(C)(=O)=O ZINC001571096077 1025826760 /nfs/dbraw/zinc/82/67/60/1025826760.db2.gz HFUYBNLZAREUBW-BBBLOLIVSA-N -1 0 307.368 -0.100 20 0 DBADRM CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC001571093700 1025827326 /nfs/dbraw/zinc/82/73/26/1025827326.db2.gz WXDNEJRKHVSBTQ-JTQLQIEISA-N -1 0 306.384 -0.019 20 0 DBADRM CN(C)C1(CS(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001571093577 1025827416 /nfs/dbraw/zinc/82/74/16/1025827416.db2.gz RDHALQQQYGQZLC-NSHDSACASA-N -1 0 306.384 -0.509 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001571095853 1025827703 /nfs/dbraw/zinc/82/77/03/1025827703.db2.gz CIRSCAPQFMBGFQ-QMMMGPOBSA-N -1 0 307.372 -0.394 20 0 DBADRM C[C@](CO)(NC(=O)c1ccn(CCn2cccn2)n1)C(=O)[O-] ZINC001571097297 1025828078 /nfs/dbraw/zinc/82/80/78/1025828078.db2.gz YZTXHVNOYVMEGX-CYBMUJFWSA-N -1 0 307.310 -0.655 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)C[C@H]1CC2(CCC2)CO1)C(=O)[O-] ZINC001571096967 1025828167 /nfs/dbraw/zinc/82/81/67/1025828167.db2.gz RJZLUBJNKQLJDF-BBBLOLIVSA-N -1 0 307.368 -0.301 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)c[nH]1 ZINC001571097283 1025828301 /nfs/dbraw/zinc/82/83/01/1025828301.db2.gz YKECEQHOOKZSFP-QWRGUYRKSA-N -1 0 307.306 -0.168 20 0 DBADRM Cn1ccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1=O ZINC001571096342 1025828744 /nfs/dbraw/zinc/82/87/44/1025828744.db2.gz MGAYYUBJYHJGPE-SNVBAGLBSA-N -1 0 307.306 -0.809 20 0 DBADRM C[C@@](CO)(NC(=O)c1ccnc(NC(=O)C2CC2)c1)C(=O)[O-] ZINC001571096680 1025828953 /nfs/dbraw/zinc/82/89/53/1025828953.db2.gz QVPYQGIBMZFGBY-AWEZNQCLSA-N -1 0 307.306 -0.005 20 0 DBADRM C[C@@](CO)(NC(=O)c1ccn(CCn2cccn2)n1)C(=O)[O-] ZINC001571097298 1025829331 /nfs/dbraw/zinc/82/93/31/1025829331.db2.gz YZTXHVNOYVMEGX-ZDUSSCGKSA-N -1 0 307.310 -0.655 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)C[C@@H]1CC2(CCC2)CO1)C(=O)[O-] ZINC001571096968 1025829469 /nfs/dbraw/zinc/82/94/69/1025829469.db2.gz RJZLUBJNKQLJDF-UTLUCORTSA-N -1 0 307.368 -0.301 20 0 DBADRM NC(=O)c1ccc(NC(=O)NC[C@@]2(C(=O)[O-])CCOC2)cn1 ZINC001571098183 1025829970 /nfs/dbraw/zinc/82/99/70/1025829970.db2.gz OEUJMJMHSYDDPN-ZDUSSCGKSA-N -1 0 308.294 -0.207 20 0 DBADRM O=C(CNC(=O)c1cccc(O)c1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001571098760 1025830942 /nfs/dbraw/zinc/83/09/42/1025830942.db2.gz YCPSTKRLRAQNRZ-WJONMLJTSA-N -1 0 308.290 -0.784 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC001571097922 1025831091 /nfs/dbraw/zinc/83/10/91/1025831091.db2.gz HRVGPPGXAIYHHA-NSHDSACASA-N -1 0 308.269 -0.028 20 0 DBADRM Cn1cc(CN2CCCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001571097374 1025831242 /nfs/dbraw/zinc/83/12/42/1025831242.db2.gz XOBDREPXYHFQFG-NWDGAFQWSA-N -1 0 307.354 -0.430 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H](CO)c1nncn1C ZINC001571098787 1025831430 /nfs/dbraw/zinc/83/14/30/1025831430.db2.gz ZIKRIVKHJAEUTE-MRVPVSSYSA-N -1 0 308.294 -0.193 20 0 DBADRM Cn1cc(CN2CCCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001571097373 1025831458 /nfs/dbraw/zinc/83/14/58/1025831458.db2.gz XOBDREPXYHFQFG-NEPJUHHUSA-N -1 0 307.354 -0.430 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)NC1(C)CN(C(=O)[O-])C1 ZINC001571100353 1025832778 /nfs/dbraw/zinc/83/27/78/1025832778.db2.gz GBLQABJXVZLZOY-AWEZNQCLSA-N -1 0 309.322 -0.532 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1C(=O)[O-] ZINC001571100872 1025832828 /nfs/dbraw/zinc/83/28/28/1025832828.db2.gz QMZBERAHUOAMGM-SFYZADRCSA-N -1 0 309.278 -0.941 20 0 DBADRM Cc1nc(N2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)CC2)n[nH]1 ZINC001571101564 1025832985 /nfs/dbraw/zinc/83/29/85/1025832985.db2.gz DVDADNPWCKGNRT-ZJUUUORDSA-N -1 0 309.326 -0.606 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1C(=O)[O-] ZINC001571100868 1025833319 /nfs/dbraw/zinc/83/33/19/1025833319.db2.gz QMZBERAHUOAMGM-HTQZYQBOSA-N -1 0 309.278 -0.941 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)CN1CC[C@H](O)[C@@H](CO)C1 ZINC001571103292 1025833637 /nfs/dbraw/zinc/83/36/37/1025833637.db2.gz VHZANVNGHYCFAQ-MFKMUULPSA-N -1 0 308.334 -0.002 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)NC[C@@H]2CNC(=O)C2)n1C ZINC001571103191 1025833694 /nfs/dbraw/zinc/83/36/94/1025833694.db2.gz SXCUCVZHYWDWLY-VIFPVBQESA-N -1 0 308.338 -0.033 20 0 DBADRM COc1ccc(CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])nc1 ZINC001571102271 1025833862 /nfs/dbraw/zinc/83/38/62/1025833862.db2.gz LQIIVYNLGHBDML-IUCAKERBSA-N -1 0 309.322 -0.273 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001571101915 1025833905 /nfs/dbraw/zinc/83/39/05/1025833905.db2.gz IMWGGHGWDOFKQT-RKDXNWHRSA-N -1 0 309.326 -0.195 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H]2CCc3nnnn3CC2)O[C@H]1C(=O)[O-] ZINC001571102621 1025833967 /nfs/dbraw/zinc/83/39/67/1025833967.db2.gz OVEBTABNSORHIG-TURQNECASA-N -1 0 309.326 -0.628 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)Cn1cc(C2CC2)cn1)C(=O)[O-] ZINC001571102157 1025834047 /nfs/dbraw/zinc/83/40/47/1025834047.db2.gz KKUAHHPYDSVSOJ-IUCAKERBSA-N -1 0 308.338 -0.146 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)CN1CC[C@@H](O)[C@H](CO)C1 ZINC001571103291 1025834073 /nfs/dbraw/zinc/83/40/73/1025834073.db2.gz VHZANVNGHYCFAQ-GXFFZTMASA-N -1 0 308.334 -0.002 20 0 DBADRM CSCc1nc(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])n[nH]1 ZINC001571102823 1025834149 /nfs/dbraw/zinc/83/41/49/1025834149.db2.gz PTHVLCJOVPQNGK-ZCFIWIBFSA-N -1 0 308.385 -0.192 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)COCc1ccncc1)C(=O)[O-] ZINC001571101829 1025834323 /nfs/dbraw/zinc/83/43/23/1025834323.db2.gz HORBJKXRGIHCLR-UWVGGRQHSA-N -1 0 309.322 -0.308 20 0 DBADRM COC[C@](C)(NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OC ZINC001571101987 1025834370 /nfs/dbraw/zinc/83/43/70/1025834370.db2.gz LIOAAYIPNSZYBS-RNSXUZJQSA-N -1 0 309.340 -0.653 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)CN1CC[C@@H](O)[C@@H](CO)C1 ZINC001571103293 1025834699 /nfs/dbraw/zinc/83/46/99/1025834699.db2.gz VHZANVNGHYCFAQ-ZWNOBZJWSA-N -1 0 308.334 -0.002 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@H](O)CN1c1ccncn1)C(=O)[O-] ZINC001571103135 1025834856 /nfs/dbraw/zinc/83/48/56/1025834856.db2.gz XFZYGRGEXVXLIQ-VHSXEESVSA-N -1 0 309.326 -0.858 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001571102142 1025834901 /nfs/dbraw/zinc/83/49/01/1025834901.db2.gz KENBUBRFVLCRNQ-NXEZZACHSA-N -1 0 308.338 -0.113 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001571103164 1025835106 /nfs/dbraw/zinc/83/51/06/1025835106.db2.gz XTZGEOISGZINCQ-JTQLQIEISA-N -1 0 309.326 -0.508 20 0 DBADRM COC(=O)c1cc(C(=O)CN2C[C@@H](O)C[C@H]2C(=O)[O-])c(C)[nH]1 ZINC001571106539 1025835539 /nfs/dbraw/zinc/83/55/39/1025835539.db2.gz NELSNSWBBPILBB-KWQFWETISA-N -1 0 310.306 -0.188 20 0 DBADRM CC(C)(CNC(=O)NC[C@@H](O)CS(C)(=O)=O)CC(=O)[O-] ZINC001571106636 1025836473 /nfs/dbraw/zinc/83/64/73/1025836473.db2.gz SZHWNZNDLYFKHY-MRVPVSSYSA-N -1 0 310.372 -0.808 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)Nc1cccn(C)c1=O)C(=O)[O-] ZINC001571106435 1025836725 /nfs/dbraw/zinc/83/67/25/1025836725.db2.gz PGKOMPSMEYOOEQ-YUMQZZPRSA-N -1 0 310.310 -0.515 20 0 DBADRM CCOc1cnc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])cn1 ZINC001571108342 1025837505 /nfs/dbraw/zinc/83/75/05/1025837505.db2.gz PAXAZSWOVSWTME-MRVPVSSYSA-N -1 0 311.294 -0.179 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)C1 ZINC001571106829 1025837823 /nfs/dbraw/zinc/83/78/23/1025837823.db2.gz WKAYLVIGOXQBPS-BREBYQMCSA-N -1 0 310.310 -0.710 20 0 DBADRM COC(=O)COCC(=O)N[C@@H](Cc1ccccc1O)C(=O)[O-] ZINC001571108137 1025838387 /nfs/dbraw/zinc/83/83/87/1025838387.db2.gz KDLBGLOVRDXHSP-JTQLQIEISA-N -1 0 311.290 -0.306 20 0 DBADRM CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)NCc2nc(N)n[nH]2)CC1 ZINC001571111466 1025839843 /nfs/dbraw/zinc/83/98/43/1025839843.db2.gz LLPDGFIXRIZESY-UHFFFAOYSA-N -1 0 311.346 -0.923 20 0 DBADRM CN(Cc1nccn1C)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001571111559 1025839908 /nfs/dbraw/zinc/83/99/08/1025839908.db2.gz OJFMWJXEIAPXAM-UHFFFAOYSA-N -1 0 311.342 -0.458 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2nnc(C)[nH]2)C[C@H]1C(=O)[O-] ZINC001571110928 1025839961 /nfs/dbraw/zinc/83/99/61/1025839961.db2.gz AEIKOHAZCZDMEA-SFYZADRCSA-N -1 0 311.298 -0.872 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(Cc2ncnn2CCF)C1 ZINC001571111201 1025840199 /nfs/dbraw/zinc/84/01/99/1025840199.db2.gz GRJCRDYRDDJCLB-NXEZZACHSA-N -1 0 311.317 -0.731 20 0 DBADRM COCC1(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])CCOCC1 ZINC001571111859 1025840694 /nfs/dbraw/zinc/84/06/94/1025840694.db2.gz DKPGHPKYSHZNDQ-SNVBAGLBSA-N -1 0 312.326 -0.709 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)O1 ZINC001571112735 1025842188 /nfs/dbraw/zinc/84/21/88/1025842188.db2.gz QXNHYZADQOYZQI-ZRUFSTJUSA-N -1 0 312.322 -0.875 20 0 DBADRM COC(=O)c1cc(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)on1 ZINC001571112976 1025842459 /nfs/dbraw/zinc/84/24/59/1025842459.db2.gz URZMHEULIDLWGJ-SFYZADRCSA-N -1 0 312.278 -0.072 20 0 DBADRM CN(C)Cc1cc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])no1 ZINC001571118339 1025843573 /nfs/dbraw/zinc/84/35/73/1025843573.db2.gz DKFGPEKYEMTNMY-SNVBAGLBSA-N -1 0 313.310 -0.318 20 0 DBADRM C[C@@H]1[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])CCS1(=O)=O ZINC001571117125 1025843662 /nfs/dbraw/zinc/84/36/62/1025843662.db2.gz VNYQOBARSVYIRT-HTQZYQBOSA-N -1 0 313.397 -0.408 20 0 DBADRM CC(=O)NC1CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001571116431 1025843792 /nfs/dbraw/zinc/84/37/92/1025843792.db2.gz CEVZHPUXQUSTIB-ZYHUDNBSSA-N -1 0 313.354 -0.214 20 0 DBADRM C[C@@H](O)CN(CC(F)F)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571118596 1025843844 /nfs/dbraw/zinc/84/38/44/1025843844.db2.gz HOMAPLUEHUODNA-RXMQYKEDSA-N -1 0 313.282 -0.256 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)Nc2cccc(CC(=O)[O-])n2)C1 ZINC001571118633 1025843932 /nfs/dbraw/zinc/84/39/32/1025843932.db2.gz IIPZRCOCQKMPAI-UHFFFAOYSA-N -1 0 313.335 -0.461 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)NCCC(=O)NCCC(=O)[O-])o1 ZINC001571118246 1025843976 /nfs/dbraw/zinc/84/39/76/1025843976.db2.gz BPTCUBPMPDLTTI-SSDOTTSWSA-N -1 0 313.314 -0.281 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-] ZINC001571119014 1025845369 /nfs/dbraw/zinc/84/53/69/1025845369.db2.gz QDHUZLZYZGKEAN-SECBINFHSA-N -1 0 313.282 -0.738 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2csc(CO)n2)C[C@H]1C(=O)[O-] ZINC001571119521 1025845920 /nfs/dbraw/zinc/84/59/20/1025845920.db2.gz GLZNKRZREMGKBD-RQJHMYQMSA-N -1 0 314.319 -0.419 20 0 DBADRM NC(=O)N[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001571120253 1025846063 /nfs/dbraw/zinc/84/60/63/1025846063.db2.gz RFSNRSJVPKABPX-MRVPVSSYSA-N -1 0 314.323 -0.789 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)CCN1CCOC1=O ZINC001571119050 1025846235 /nfs/dbraw/zinc/84/62/35/1025846235.db2.gz RRSYQXUEJXEGDS-VIFPVBQESA-N -1 0 313.310 -0.980 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)COc2ccsn2)C[C@H]1C(=O)[O-] ZINC001571119978 1025846294 /nfs/dbraw/zinc/84/62/94/1025846294.db2.gz OCABLAZBELPJAA-SFYZADRCSA-N -1 0 314.319 -0.146 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)CCN1CCOC1=O ZINC001571119049 1025846417 /nfs/dbraw/zinc/84/64/17/1025846417.db2.gz RRSYQXUEJXEGDS-SECBINFHSA-N -1 0 313.310 -0.980 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CCOC[C@H]2CC(=O)[O-])C[C@H]1C ZINC001571123516 1025846730 /nfs/dbraw/zinc/84/67/30/1025846730.db2.gz QMJOODDXANUNEU-DNRKLUKYSA-N -1 0 315.322 -0.345 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cnc3nccnc3c2)CC1=O ZINC001571122260 1025846918 /nfs/dbraw/zinc/84/69/18/1025846918.db2.gz BRDGQRBTAGSWDI-JTQLQIEISA-N -1 0 315.289 -0.608 20 0 DBADRM CC(C)(O)[C@H](O)C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC001571122894 1025847270 /nfs/dbraw/zinc/84/72/70/1025847270.db2.gz JREQTXCEXWCVPW-GHMZBOCLSA-N -1 0 315.297 -0.094 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001571123856 1025847379 /nfs/dbraw/zinc/84/73/79/1025847379.db2.gz VCBBSKNLBMIUHZ-QIBSRJKCSA-N -1 0 314.338 -0.052 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)O1 ZINC001571123027 1025847471 /nfs/dbraw/zinc/84/74/71/1025847471.db2.gz LHGOFENXQGUNNP-LNFKQOIKSA-N -1 0 314.338 -0.595 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H]2COC(=O)C2)c(C(=O)[O-])c1 ZINC001571123648 1025847675 /nfs/dbraw/zinc/84/76/75/1025847675.db2.gz UFRHMUNGCIWIJL-ZETCQYMHSA-N -1 0 315.303 -0.013 20 0 DBADRM O=C([O-])Cn1cc(CNC2C[C@H]3CC[C@@H](C2)S3(=O)=O)nn1 ZINC001571123556 1025847843 /nfs/dbraw/zinc/84/78/43/1025847843.db2.gz RQNZFMFODDZFQD-UQPYNNQESA-N -1 0 314.367 -0.440 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001571123218 1025847865 /nfs/dbraw/zinc/84/78/65/1025847865.db2.gz MASIWMMAARFFKL-VHSXEESVSA-N -1 0 314.338 -0.327 20 0 DBADRM CC[S@](=O)CCNC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001571123220 1025848005 /nfs/dbraw/zinc/84/80/05/1025848005.db2.gz MBHVJDWCHIFZJT-NRFANRHFSA-N -1 0 314.367 -0.015 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cnc3nccnc3c2)CC1=O ZINC001571122262 1025848176 /nfs/dbraw/zinc/84/81/76/1025848176.db2.gz BRDGQRBTAGSWDI-SNVBAGLBSA-N -1 0 315.289 -0.608 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21)S(C)(=O)=O ZINC001571125145 1025848593 /nfs/dbraw/zinc/84/85/93/1025848593.db2.gz DDBRTCXOIWNNAM-SFYZADRCSA-N -1 0 315.351 -0.035 20 0 DBADRM C[C@](CO)(NC(=O)CNC(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC001571125352 1025848664 /nfs/dbraw/zinc/84/86/64/1025848664.db2.gz DHGCEVWBPBHMBW-CYBMUJFWSA-N -1 0 316.260 -0.354 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cnon2)nc1 ZINC001571126443 1025849190 /nfs/dbraw/zinc/84/91/90/1025849190.db2.gz RNMCNLQIZPBSQK-IUCAKERBSA-N -1 0 316.277 -0.339 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@@H]1CCC[C@@H]1CCO ZINC001571126387 1025849304 /nfs/dbraw/zinc/84/93/04/1025849304.db2.gz QLOROZUPGRCVBC-GHMZBOCLSA-N -1 0 315.370 -0.182 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)NC[C@]1(C)CCC(=O)N1 ZINC001571126237 1025849626 /nfs/dbraw/zinc/84/96/26/1025849626.db2.gz OOPJSYBRZQEMBG-LBPRGKRZSA-N -1 0 315.351 -0.330 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21)S(C)(=O)=O ZINC001571125144 1025849798 /nfs/dbraw/zinc/84/97/98/1025849798.db2.gz DDBRTCXOIWNNAM-JGVFFNPUSA-N -1 0 315.351 -0.035 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1C[C@@H](C)C(O)[C@H](C)C1)C(=O)[O-] ZINC001571126797 1025850015 /nfs/dbraw/zinc/85/00/15/1025850015.db2.gz ZXDIXDOIYZLLOW-IMSYWVGJSA-N -1 0 315.370 -0.378 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@@H]1CCc2ncncc2C1 ZINC001571128593 1025851113 /nfs/dbraw/zinc/85/11/13/1025851113.db2.gz NSKVTOLDQVCYNR-BXKDBHETSA-N -1 0 316.321 -0.557 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@H](CO)[C@H](O)c2cccnc2)nc1 ZINC001571130963 1025851194 /nfs/dbraw/zinc/85/11/94/1025851194.db2.gz MNKGBXPQFLGUMM-CHWSQXEVSA-N -1 0 317.301 -0.001 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCC2(C1)OCCO2 ZINC001571126813 1025851273 /nfs/dbraw/zinc/85/12/73/1025851273.db2.gz VRLBCNAUYZVTOU-UHFFFAOYSA-N -1 0 315.326 -0.874 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@H](C(N)=O)C1 ZINC001571126924 1025851369 /nfs/dbraw/zinc/85/13/69/1025851369.db2.gz ZRPIGDSZILQWDY-IONNQARKSA-N -1 0 315.351 -0.344 20 0 DBADRM CCN(CCC(=O)[O-])S(=O)(=O)CCS(=O)(=O)N(C)C ZINC001571131224 1025851547 /nfs/dbraw/zinc/85/15/47/1025851547.db2.gz YHNRERWMUKZJIP-UHFFFAOYSA-N -1 0 316.401 -0.996 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCS(=O)(=O)CCO1 ZINC001571129104 1025852153 /nfs/dbraw/zinc/85/21/53/1025852153.db2.gz XTIPOHNSUMRENB-UHFFFAOYSA-N -1 0 316.335 -0.134 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001571131847 1025853247 /nfs/dbraw/zinc/85/32/47/1025853247.db2.gz VNHUSNJSWBEBQU-XRNSZHNASA-N -1 0 316.354 -0.130 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)c2cnc(N)nc2)[C@@H](C(=O)[O-])C1 ZINC001571131808 1025853298 /nfs/dbraw/zinc/85/32/98/1025853298.db2.gz UQIHGUWHPZMXGK-IONNQARKSA-N -1 0 316.339 -0.689 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)cn1C ZINC001571131506 1025853542 /nfs/dbraw/zinc/85/35/42/1025853542.db2.gz IRCOKTIAVIOUAD-SNVBAGLBSA-N -1 0 316.383 -0.635 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)c2cnc(N)nc2)[C@H](C(=O)[O-])C1 ZINC001571131807 1025853570 /nfs/dbraw/zinc/85/35/70/1025853570.db2.gz UQIHGUWHPZMXGK-CBAPKCEASA-N -1 0 316.339 -0.689 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001571131846 1025853667 /nfs/dbraw/zinc/85/36/67/1025853667.db2.gz VNHUSNJSWBEBQU-PEXQALLHSA-N -1 0 316.354 -0.130 20 0 DBADRM COC[C@](C)(CC(=O)OC)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001571132633 1025854028 /nfs/dbraw/zinc/85/40/28/1025854028.db2.gz FDMKGTDLWPADFQ-FTBFGRRBSA-N -1 0 317.338 -0.051 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cnc2n[nH]cc2c1 ZINC001571133372 1025854645 /nfs/dbraw/zinc/85/46/45/1025854645.db2.gz PHWKSMVMZPZWFB-JTQLQIEISA-N -1 0 317.305 -0.237 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571132937 1025854677 /nfs/dbraw/zinc/85/46/77/1025854677.db2.gz CTPHXBMQJUBNPO-ZDCRXTMVSA-N -1 0 317.363 -0.346 20 0 DBADRM O=C([O-])NC1CN(C(=O)CN2CCCC3(CC3)S2(=O)=O)C1 ZINC001571132991 1025854746 /nfs/dbraw/zinc/85/47/46/1025854746.db2.gz DYNNJAHIUSOURO-UHFFFAOYSA-N -1 0 317.367 -0.577 20 0 DBADRM C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001571132915 1025854905 /nfs/dbraw/zinc/85/49/05/1025854905.db2.gz HTMABOZOTCXTCT-OIBJUYFYSA-N -1 0 317.309 -0.135 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC001571133392 1025855118 /nfs/dbraw/zinc/85/51/18/1025855118.db2.gz QEKOJIUZKNFOLT-MRVPVSSYSA-N -1 0 317.323 -0.354 20 0 DBADRM COCCN(CCO)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001571132922 1025855224 /nfs/dbraw/zinc/85/52/24/1025855224.db2.gz CDXHTGHEBYIBFD-UHFFFAOYSA-N -1 0 317.367 -0.351 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)CC(=O)NCC(=O)NC(C)(C)C ZINC001571133478 1025855452 /nfs/dbraw/zinc/85/54/52/1025855452.db2.gz PBWGISSRUVBPHY-JTQLQIEISA-N -1 0 317.386 -0.561 20 0 DBADRM O=C([O-])c1cnc(N2CCC[C@@H](NC(=O)c3cn[nH]n3)C2)nc1 ZINC001571133289 1025855649 /nfs/dbraw/zinc/85/56/49/1025855649.db2.gz NDVWIXPPKLNFQT-SECBINFHSA-N -1 0 317.309 -0.308 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)CCCF)CCS(=O)(=O)CC1 ZINC001571133028 1025855734 /nfs/dbraw/zinc/85/57/34/1025855734.db2.gz GIWHYOLEYMUOHA-UHFFFAOYSA-N -1 0 317.360 -0.703 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001571133104 1025855780 /nfs/dbraw/zinc/85/57/80/1025855780.db2.gz KKTUYVVRIVDHBS-GARJFASQSA-N -1 0 317.338 -0.097 20 0 DBADRM COC(=O)[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001571133498 1025855849 /nfs/dbraw/zinc/85/58/49/1025855849.db2.gz QKHDEYNUICMDKN-KNVOCYPGSA-N -1 0 317.323 -0.320 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC001571133663 1025856682 /nfs/dbraw/zinc/85/66/82/1025856682.db2.gz TZKHEBHPPSZRHB-UHFFFAOYSA-N -1 0 317.367 -0.105 20 0 DBADRM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001571137412 1025857485 /nfs/dbraw/zinc/85/74/85/1025857485.db2.gz FPETZWVIXQTMPX-SDDRHHMPSA-N -1 0 318.395 -0.020 20 0 DBADRM COC(=O)NC(C)(C)C(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001571139793 1025858424 /nfs/dbraw/zinc/85/84/24/1025858424.db2.gz NBIPGHOMBLRVMA-MRVPVSSYSA-N -1 0 318.326 -0.157 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)c1ccoc1CC(=O)[O-] ZINC001571140220 1025859202 /nfs/dbraw/zinc/85/92/02/1025859202.db2.gz QZTURIORNIXVBG-QMMMGPOBSA-N -1 0 318.351 -0.036 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)C3=CCOCC3)C2)n1 ZINC001571140257 1025859220 /nfs/dbraw/zinc/85/92/20/1025859220.db2.gz REBZVWLFQZFQMA-NSHDSACASA-N -1 0 318.333 -0.044 20 0 DBADRM C[C@@H]1CCn2cc(C(=O)N[C@@H](Cn3cncn3)C(=O)[O-])nc2C1 ZINC001571140066 1025859521 /nfs/dbraw/zinc/85/95/21/1025859521.db2.gz ONUBFTFNPULHJV-KOLCDFICSA-N -1 0 318.337 -0.060 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[C@H]4C(=O)[O-])C[C@H]32)no1 ZINC001571142867 1025860273 /nfs/dbraw/zinc/86/02/73/1025860273.db2.gz BPDPVQOWKIWNTR-KUNJHIDRSA-N -1 0 319.317 -0.110 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@@H]2COCCN2CC(F)F)n[nH]1 ZINC001571142217 1025860483 /nfs/dbraw/zinc/86/04/83/1025860483.db2.gz YQQQALSJGJZYLJ-LURJTMIESA-N -1 0 319.268 -0.664 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001571142899 1025860544 /nfs/dbraw/zinc/86/05/44/1025860544.db2.gz CRLSITQCPUGZQI-GAJNKVMBSA-N -1 0 319.317 -0.206 20 0 DBADRM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)[C@@H]1OC ZINC001571143067 1025860774 /nfs/dbraw/zinc/86/07/74/1025860774.db2.gz KAPCIJCILHKGSG-YNEQXMIYSA-N -1 0 319.339 -0.421 20 0 DBADRM Cc1conc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001571143018 1025861033 /nfs/dbraw/zinc/86/10/33/1025861033.db2.gz HWEMOKWLTHEVJP-ULHKAFAUSA-N -1 0 319.317 -0.110 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CCSC[C@@H]1CCO ZINC001571141129 1025861513 /nfs/dbraw/zinc/86/15/13/1025861513.db2.gz LVPZOXLHMDUHEN-OUAUKWLOSA-N -1 0 318.395 -0.015 20 0 DBADRM Cc1nn(CCS(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c(=O)o1 ZINC001571143023 1025861622 /nfs/dbraw/zinc/86/16/22/1025861622.db2.gz HYXZDBRLXTZNQW-CBAPKCEASA-N -1 0 319.339 -0.730 20 0 DBADRM Cc1nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C(=O)[O-])co1 ZINC001571143127 1025862400 /nfs/dbraw/zinc/86/24/00/1025862400.db2.gz MAFBUTYPZSFUJA-OMHSBUABSA-N -1 0 319.317 -0.110 20 0 DBADRM NC(=O)N1CCC[C@@H](CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001571144311 1025862994 /nfs/dbraw/zinc/86/29/94/1025862994.db2.gz JEQWRHBZUOOEOJ-LPEHRKFASA-N -1 0 319.383 -0.440 20 0 DBADRM CCOC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CCO1 ZINC001571143160 1025863608 /nfs/dbraw/zinc/86/36/08/1025863608.db2.gz NEDQOKVCOBBHIH-QMMMGPOBSA-N -1 0 319.339 -0.466 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)COc1ccsc1 ZINC001571144138 1025863684 /nfs/dbraw/zinc/86/36/84/1025863684.db2.gz FXCDPYPUMGGMLM-VIFPVBQESA-N -1 0 319.360 -0.163 20 0 DBADRM Cn1cc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001571145655 1025864098 /nfs/dbraw/zinc/86/40/98/1025864098.db2.gz FTISUMRLEPFRED-BJDJZHNGSA-N -1 0 320.349 -0.553 20 0 DBADRM CNC(=O)NC1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001571144628 1025864340 /nfs/dbraw/zinc/86/43/40/1025864340.db2.gz QUDWDWGUQGYLGZ-WAAGHKOSSA-N -1 0 319.383 -0.427 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cc2c([nH]c1=O)CCCC2=O ZINC001571145693 1025864703 /nfs/dbraw/zinc/86/47/03/1025864703.db2.gz GRXSDZFKUBVMSQ-HQJQHLMTSA-N -1 0 320.301 -0.034 20 0 DBADRM Cc1cccc(CNC(=O)CN2CC(=O)N(C)C[C@H]2C(=O)[O-])c1 ZINC001571144642 1025864894 /nfs/dbraw/zinc/86/48/94/1025864894.db2.gz RLERTBHPXMEUFC-ZDUSSCGKSA-N -1 0 319.361 -0.162 20 0 DBADRM COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(CO)C(=O)[O-] ZINC001571145515 1025864941 /nfs/dbraw/zinc/86/49/41/1025864941.db2.gz ASQWMSWJTLPBGV-ISVAXAHUSA-N -1 0 320.342 -0.522 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001571144817 1025865338 /nfs/dbraw/zinc/86/53/38/1025865338.db2.gz YKOLVQJRBLBNHL-DBIOUOCHSA-N -1 0 319.379 -0.337 20 0 DBADRM C[C@H](CS(=O)(=O)NC[C@@H](CO)Cc1cnn(C)c1)C(=O)[O-] ZINC001571144662 1025865479 /nfs/dbraw/zinc/86/54/79/1025865479.db2.gz SCOPQBKSCYABJL-KOLCDFICSA-N -1 0 319.383 -0.789 20 0 DBADRM CS(=O)(=O)[C@H]1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001571144692 1025865596 /nfs/dbraw/zinc/86/55/96/1025865596.db2.gz TVTUKOXSDMTSEA-AXFHLTTASA-N -1 0 319.379 -0.098 20 0 DBADRM COCC[C@@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001571146440 1025866608 /nfs/dbraw/zinc/86/66/08/1025866608.db2.gz YBOUUHKGTBJNIK-RKDXNWHRSA-N -1 0 320.342 -0.522 20 0 DBADRM Cc1ccn(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001571146482 1025866770 /nfs/dbraw/zinc/86/67/70/1025866770.db2.gz ZHSCMTUWRKTBKU-USZNOCQGSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1cnn(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001571146149 1025867342 /nfs/dbraw/zinc/86/73/42/1025867342.db2.gz SAGINHXEPGABMZ-FIQHERPVSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1cc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n[nH]1 ZINC001571146503 1025867423 /nfs/dbraw/zinc/86/74/23/1025867423.db2.gz ZPSGZKXTSJVRCY-QCMRWSPLSA-N -1 0 320.349 -0.255 20 0 DBADRM CCc1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C(=O)[O-])o1 ZINC001571146436 1025867441 /nfs/dbraw/zinc/86/74/41/1025867441.db2.gz YASIAWFGZWPTIK-LGMRYKSHSA-N -1 0 320.349 -0.101 20 0 DBADRM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1occc1C(=O)[O-] ZINC001571146316 1025867581 /nfs/dbraw/zinc/86/75/81/1025867581.db2.gz VDGIPCJEMRXYHJ-SSDOTTSWSA-N -1 0 320.323 -0.511 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001571148782 1025868002 /nfs/dbraw/zinc/86/80/02/1025868002.db2.gz BFNVYTDUJFGWQR-DOLQZWNJSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(Cc2nnnn2C2CC2)C1 ZINC001571149412 1025868086 /nfs/dbraw/zinc/86/80/86/1025868086.db2.gz XFTONRUOWCYYEY-GHMZBOCLSA-N -1 0 320.353 -0.723 20 0 DBADRM Cc1nnc(C2CN(C(=O)COCc3ocnc3C(=O)[O-])C2)[nH]1 ZINC001571149788 1025868098 /nfs/dbraw/zinc/86/80/98/1025868098.db2.gz LCNDBZDGOGBTPP-UHFFFAOYSA-N -1 0 321.293 -0.058 20 0 DBADRM COC(=O)c1oc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])cc1C ZINC001571149899 1025868197 /nfs/dbraw/zinc/86/81/97/1025868197.db2.gz PBNPVJXSQRRKOW-LLVKDONJSA-N -1 0 321.307 -0.511 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC([C@@H]2COC(=O)N2)CC1)C(=O)[O-] ZINC001571149056 1025868676 /nfs/dbraw/zinc/86/86/76/1025868676.db2.gz KTKRVHACGIBAEQ-SCZZXKLOSA-N -1 0 320.367 -0.143 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCn2ccnc2)CC1 ZINC001571149080 1025868725 /nfs/dbraw/zinc/86/87/25/1025868725.db2.gz LHKVMHUUBYTMML-RYUDHWBXSA-N -1 0 320.349 -0.335 20 0 DBADRM CC1=C(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)Cn2nnnc2N1C ZINC001571149228 1025868756 /nfs/dbraw/zinc/86/87/56/1025868756.db2.gz QDPSBFPRAKKKLT-PSASIEDQSA-N -1 0 320.353 -0.034 20 0 DBADRM Cc1cn2nnc(C(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)c2c(=O)[nH]1 ZINC001571149687 1025869404 /nfs/dbraw/zinc/86/94/04/1025869404.db2.gz HHNQOUZPKYZHMW-HTQZYQBOSA-N -1 0 321.293 -0.954 20 0 DBADRM Cn1nncc1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001571150788 1025870162 /nfs/dbraw/zinc/87/01/62/1025870162.db2.gz NJXBEWNBTUGIQZ-UTINFBMNSA-N -1 0 321.337 -0.840 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)Cn2cncn2)C1 ZINC001571150380 1025870211 /nfs/dbraw/zinc/87/02/11/1025870211.db2.gz HRBCHNKLLOKTRJ-GWOFURMSSA-N -1 0 321.337 -0.990 20 0 DBADRM Cc1c(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)nnn1C ZINC001571150747 1025870321 /nfs/dbraw/zinc/87/03/21/1025870321.db2.gz MACWFYBSOXEAKC-UWVGGRQHSA-N -1 0 321.337 -0.871 20 0 DBADRM Cn1nncc1C(=O)N1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001571150946 1025870511 /nfs/dbraw/zinc/87/05/11/1025870511.db2.gz PCZGOMADJIRHKB-UWVGGRQHSA-N -1 0 321.337 -0.790 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001571150733 1025870736 /nfs/dbraw/zinc/87/07/36/1025870736.db2.gz LRLJCBHWMGKFPJ-PRHODGIISA-N -1 0 321.333 -0.328 20 0 DBADRM CN1CCn2c(CCNC(=O)[C@H]3CC[C@H]3C(=O)[O-])nnc2C1=O ZINC001571150790 1025870792 /nfs/dbraw/zinc/87/07/92/1025870792.db2.gz NLMGJBCEBHGWCB-DTWKUNHWSA-N -1 0 321.337 -0.867 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001571151002 1025870867 /nfs/dbraw/zinc/87/08/67/1025870867.db2.gz QGCMFJPDSCEKFZ-RGOKHQFPSA-N -1 0 321.337 -0.542 20 0 DBADRM CCCC[C@H](NS(=O)(=O)CCn1nc(C)oc1=O)C(=O)[O-] ZINC001571150247 1025871348 /nfs/dbraw/zinc/87/13/48/1025871348.db2.gz BUAFEWJUMMLDDU-VIFPVBQESA-N -1 0 321.355 -0.292 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(Cc2noc3c2COCC3)C1 ZINC001571150298 1025871045 /nfs/dbraw/zinc/87/10/45/1025871045.db2.gz DUYLORYNMULFFA-VHSXEESVSA-N -1 0 321.333 -0.232 20 0 DBADRM CC(C)(CNC(=O)c1nc2ncc(CCO)cn2n1)CC(=O)[O-] ZINC001571150195 1025871112 /nfs/dbraw/zinc/87/11/12/1025871112.db2.gz AASLEOJCOAEIAR-UHFFFAOYSA-N -1 0 321.337 -0.110 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001571150223 1025871290 /nfs/dbraw/zinc/87/12/90/1025871290.db2.gz AVKXILGWENUOCR-IUCAKERBSA-N -1 0 321.337 -0.054 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001571153177 1025872088 /nfs/dbraw/zinc/87/20/88/1025872088.db2.gz LQTKLGMJGNRHAW-NSHDSACASA-N -1 0 322.321 -0.107 20 0 DBADRM CNC(=O)c1cccc(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)n1 ZINC001571151391 1025872557 /nfs/dbraw/zinc/87/25/57/1025872557.db2.gz VRMFMPGMBVTHED-NXEZZACHSA-N -1 0 321.333 -0.092 20 0 DBADRM Cc1cc(CC(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)no1 ZINC001571151205 1025872566 /nfs/dbraw/zinc/87/25/66/1025872566.db2.gz SINJRBDGYMRMJD-RYUDHWBXSA-N -1 0 321.333 -0.083 20 0 DBADRM Cn1nncc1C(=O)NC1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571151487 1025873090 /nfs/dbraw/zinc/87/30/90/1025873090.db2.gz XWZLTXZJDZUKAL-VHSXEESVSA-N -1 0 321.337 -0.743 20 0 DBADRM NC(=O)N[C@H](CC(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1)c1ccccc1 ZINC001571151188 1025873130 /nfs/dbraw/zinc/87/31/30/1025873130.db2.gz SAVGXPDRANXAFM-HFAKWTLXSA-N -1 0 321.333 -0.120 20 0 DBADRM Cc1[nH]c(C(=O)CN2CC(=O)NCC23COC3)c(C)c1C(=O)[O-] ZINC001571151448 1025873212 /nfs/dbraw/zinc/87/32/12/1025873212.db2.gz WUTGKCFRHOCHFQ-UHFFFAOYSA-N -1 0 321.333 -0.287 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnsn1 ZINC001571153827 1025873910 /nfs/dbraw/zinc/87/39/10/1025873910.db2.gz RQBCIBYFZSTALK-UFNQKSLJSA-N -1 0 322.346 -0.555 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cc3c(cc2O)OCO3)CC1=O ZINC001571154350 1025874028 /nfs/dbraw/zinc/87/40/28/1025874028.db2.gz WLSGNQOEFIWGPH-QMMMGPOBSA-N -1 0 322.273 -0.512 20 0 DBADRM CC(C)(CNC(=O)NC1CC(NS(C)(=O)=O)C1)CC(=O)[O-] ZINC001571154268 1025874257 /nfs/dbraw/zinc/87/42/57/1025874257.db2.gz JOJCYLDLYAJMKM-UHFFFAOYSA-N -1 0 321.399 -0.133 20 0 DBADRM CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)C[C@@H]21 ZINC001571154374 1025874571 /nfs/dbraw/zinc/87/45/71/1025874571.db2.gz XBBFZZQMJKCVQY-VDDIYKPWSA-N -1 0 322.321 -0.366 20 0 DBADRM C[C@@H](NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)c1ncn(C)n1 ZINC001571154566 1025874750 /nfs/dbraw/zinc/87/47/50/1025874750.db2.gz ZQERGEVNERZLIM-AMIZOPFISA-N -1 0 322.325 -0.109 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnsn1 ZINC001571153825 1025874785 /nfs/dbraw/zinc/87/47/85/1025874785.db2.gz RQBCIBYFZSTALK-RZWYQDGFSA-N -1 0 322.346 -0.555 20 0 DBADRM COC(=O)[C@](C)(CO)NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001571157734 1025875723 /nfs/dbraw/zinc/87/57/23/1025875723.db2.gz BLEOIGVKSOKCDH-AUTRQRHGSA-N -1 0 323.367 -0.527 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC001571155955 1025875786 /nfs/dbraw/zinc/87/57/86/1025875786.db2.gz IUGSMNQFZVJLOY-LNLATYFQSA-N -1 0 322.383 -0.595 20 0 DBADRM COC(=O)c1csc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])c1 ZINC001571158419 1025876015 /nfs/dbraw/zinc/87/60/15/1025876015.db2.gz MCQJQNYRUPAKAS-SNVBAGLBSA-N -1 0 323.348 -0.351 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCOCC1 ZINC001571155919 1025876146 /nfs/dbraw/zinc/87/61/46/1025876146.db2.gz HYGFBLQGKHANNY-FHUSYTEZSA-N -1 0 322.361 -0.293 20 0 DBADRM Cc1cn2c(ncc(C(=O)N3CC[C@@](O)(C(=O)[O-])C3)c2=O)s1 ZINC001571157987 1025876227 /nfs/dbraw/zinc/87/62/27/1025876227.db2.gz DXQSMCLMCPSAGG-ZDUSSCGKSA-N -1 0 323.330 -0.274 20 0 DBADRM C[C@H]1CN(C(=O)NCc2nnc3n2CCCC3)C[C@@H](C(=O)[O-])O1 ZINC001571157796 1025876236 /nfs/dbraw/zinc/87/62/36/1025876236.db2.gz BWXXTWVVZDNKAT-UWVGGRQHSA-N -1 0 323.353 -0.002 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC001571155956 1025876279 /nfs/dbraw/zinc/87/62/79/1025876279.db2.gz IUGSMNQFZVJLOY-PTRXPTGYSA-N -1 0 322.383 -0.595 20 0 DBADRM Cc1cccc(C[C@H](CNC(=O)[C@@H](CO)NC(N)=O)C(=O)[O-])c1 ZINC001571158164 1025876511 /nfs/dbraw/zinc/87/65/11/1025876511.db2.gz HSAWVBBJCSRXDN-VXGBXAGGSA-N -1 0 323.349 -0.616 20 0 DBADRM COC(=O)[C@@H](CNS(=O)(=O)CCCC(=O)[O-])[C@H]1CCOC1 ZINC001571157707 1025876613 /nfs/dbraw/zinc/87/66/13/1025876613.db2.gz APEAQOJPXFYNOL-UWVGGRQHSA-N -1 0 323.367 -0.404 20 0 DBADRM C[C@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@@H](C(=O)[O-])O1 ZINC001571155950 1025877017 /nfs/dbraw/zinc/87/70/17/1025877017.db2.gz IMLNVIKBIUHJTA-IUCAKERBSA-N -1 0 322.383 -0.595 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)C1 ZINC001571158585 1025877425 /nfs/dbraw/zinc/87/74/25/1025877425.db2.gz OTJFETLUPKZDGY-JFGNBEQYSA-N -1 0 323.353 -0.020 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c[nH]1 ZINC001571160145 1025877813 /nfs/dbraw/zinc/87/78/13/1025877813.db2.gz UKOOEKINNKMDSS-JTQLQIEISA-N -1 0 323.305 -0.393 20 0 DBADRM CC(C)[C@H](C(=O)N[C@H](Cn1cncn1)C(=O)[O-])N1CCCC1=O ZINC001571159144 1025878667 /nfs/dbraw/zinc/87/86/67/1025878667.db2.gz ZDDMJKAECVQPJS-ZYHUDNBSSA-N -1 0 323.353 -0.506 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@H](CO)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001571161698 1025880051 /nfs/dbraw/zinc/88/00/51/1025880051.db2.gz WXFVMJXFLOFHGH-ZNSHCXBVSA-N -1 0 323.411 -0.073 20 0 DBADRM COCC(=O)N1CCC[C@](CO)(Nc2ccnc(C(=O)[O-])n2)C1 ZINC001571163765 1025880152 /nfs/dbraw/zinc/88/01/52/1025880152.db2.gz QCZSOQWVQPGFLF-AWEZNQCLSA-N -1 0 324.337 -0.992 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N[C@H](CC1OCCO1)C(=O)[O-])CC2 ZINC001571163378 1025880724 /nfs/dbraw/zinc/88/07/24/1025880724.db2.gz KDGDHMJLHNMZQI-VHSXEESVSA-N -1 0 324.337 -0.519 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2ccnc(OC)n2)C[C@@H]1C(=O)[O-] ZINC001571163998 1025880876 /nfs/dbraw/zinc/88/08/76/1025880876.db2.gz YQDUJCUOTNYPAL-YUMQZZPRSA-N -1 0 324.293 -0.177 20 0 DBADRM COC(=O)C1(O)CN(C(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC001571163448 1025880999 /nfs/dbraw/zinc/88/09/99/1025880999.db2.gz MIKNONSDTDAOLD-UHFFFAOYSA-N -1 0 324.289 -0.098 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCc3nnnn3CC2)C1 ZINC001571166678 1025881677 /nfs/dbraw/zinc/88/16/77/1025881677.db2.gz ZDIQIFNCTHUFHH-RNCFNFMXSA-N -1 0 324.341 -0.737 20 0 DBADRM CC(C)(O)CC(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C2 ZINC001571166065 1025882871 /nfs/dbraw/zinc/88/28/71/1025882871.db2.gz SAJIFCKGZWJZLV-WDEREUQCSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@@H](CNC(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1)C(=O)[O-] ZINC001571164555 1025882884 /nfs/dbraw/zinc/88/28/84/1025882884.db2.gz AUXVXEFESJKKRL-VIFPVBQESA-N -1 0 324.341 -0.250 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)[C@@H]2CCNC2=O)c1[O-] ZINC001572285200 1026310001 /nfs/dbraw/zinc/31/00/01/1026310001.db2.gz NIQRGAQFGDIYRE-VXNVDRBHSA-N -1 0 323.353 -0.863 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)C[C@H]2C=CCC2)c1[O-] ZINC001572320203 1026333996 /nfs/dbraw/zinc/33/39/96/1026333996.db2.gz QPRASOWLOSKUNU-QWRGUYRKSA-N -1 0 322.365 -0.013 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)C2(C)CC=CC2)c1[O-] ZINC001572352788 1026365081 /nfs/dbraw/zinc/36/50/81/1026365081.db2.gz PSMVYXLWHWFXHZ-JTQLQIEISA-N -1 0 322.365 -0.013 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1conc1C ZINC001573349242 1026554526 /nfs/dbraw/zinc/55/45/26/1026554526.db2.gz MBSPKCSYJSDJJS-MRVPVSSYSA-N -1 0 319.339 -0.417 20 0 DBADRM C=Cc1ccc(C(=O)NC[C@H](CO)NC(=O)CNC(=O)[O-])cc1 ZINC001573384403 1026558874 /nfs/dbraw/zinc/55/88/74/1026558874.db2.gz LPCLSJYMMPHKOG-GFCCVEGCSA-N -1 0 321.333 -0.196 20 0 DBADRM CC(=O)[C@@](C)(O)CN1CCC(C(=O)[O-])(S(C)(=O)=O)CC1 ZINC001573370554 1026559410 /nfs/dbraw/zinc/55/94/10/1026559410.db2.gz JUPGALDATWDYLF-NSHDSACASA-N -1 0 307.368 -0.710 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001573383723 1026559487 /nfs/dbraw/zinc/55/94/87/1026559487.db2.gz URVJLCNMLAWKEK-AWEZNQCLSA-N -1 0 313.354 -0.972 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 ZINC001573372331 1026559566 /nfs/dbraw/zinc/55/95/66/1026559566.db2.gz OUAKWGSBIFIYMT-QMMMGPOBSA-N -1 0 312.347 -0.061 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NC[C@@](C)(CC(C)C)C(=O)[O-])C(N)=O ZINC001573376539 1026559579 /nfs/dbraw/zinc/55/95/79/1026559579.db2.gz YGQXARIRHSDXDE-IINYFYTJSA-N -1 0 315.370 -0.380 20 0 DBADRM C=CS(=O)(=O)CCC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001573379790 1026559609 /nfs/dbraw/zinc/55/96/09/1026559609.db2.gz WUJTWTXDSOQZBD-UHFFFAOYSA-N -1 0 302.312 -0.959 20 0 DBADRM C=Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)CNC(=O)[O-])cc1 ZINC001573384405 1026559752 /nfs/dbraw/zinc/55/97/52/1026559752.db2.gz LPCLSJYMMPHKOG-LBPRGKRZSA-N -1 0 321.333 -0.196 20 0 DBADRM CC(=O)c1cn(CC(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])nn1 ZINC001573397250 1026560883 /nfs/dbraw/zinc/56/08/83/1026560883.db2.gz IVFDGNLPMCRCFV-ZJUUUORDSA-N -1 0 310.310 -0.381 20 0 DBADRM C[C@H](C(=O)[O-])C1CN(C(=O)CNC(=O)c2ncccc2O)C1 ZINC001573398418 1026560955 /nfs/dbraw/zinc/56/09/55/1026560955.db2.gz FHEMEDVZXMYVAF-QMMMGPOBSA-N -1 0 307.306 -0.304 20 0 DBADRM CC(=O)c1sc(NC(=O)NC[C@H](O)[C@H](C)O)nc1C(=O)[O-] ZINC001573397903 1026561761 /nfs/dbraw/zinc/56/17/61/1026561761.db2.gz SITNSLYTBUKLPX-NJGYIYPDSA-N -1 0 317.323 -0.093 20 0 DBADRM C[C@@H](C(=O)[O-])C1CN(C(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)C1 ZINC001573400151 1026562602 /nfs/dbraw/zinc/56/26/02/1026562602.db2.gz UVEUWAOZFOLDSS-NQMVMOMDSA-N -1 0 304.368 -0.076 20 0 DBADRM C[C@H](C(=O)NC1(CC(=O)[O-])COC1)n1nnnc1C(C)(C)C ZINC001573400273 1026562648 /nfs/dbraw/zinc/56/26/48/1026562648.db2.gz VQVNIFVQNVAACY-MRVPVSSYSA-N -1 0 311.342 -0.109 20 0 DBADRM C[C@H](C(=O)[O-])C1CN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001573399102 1026563424 /nfs/dbraw/zinc/56/34/24/1026563424.db2.gz KYPWMBNPGABLFX-QMMMGPOBSA-N -1 0 305.294 -0.930 20 0 DBADRM CC(=O)CCCC(=O)N(C)[C@H](C)CNC(=O)CNC(=O)[O-] ZINC001573399704 1026563651 /nfs/dbraw/zinc/56/36/51/1026563651.db2.gz KTRHYOZQGCLSBV-SECBINFHSA-N -1 0 301.343 -0.024 20 0 DBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccncc1)[C@H]1CCC(=O)N1 ZINC001573400311 1026563882 /nfs/dbraw/zinc/56/38/82/1026563882.db2.gz WLFDTBYMZPYTJQ-YPWHJJHSSA-N -1 0 321.333 -0.401 20 0 DBADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccnc1)n1cncn1 ZINC001573400212 1026563987 /nfs/dbraw/zinc/56/39/87/1026563987.db2.gz VHKAVIPIDDXFFE-IEBDPFPHSA-N -1 0 305.294 -0.463 20 0 DBADRM CC(=O)C[C@H]1COCCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001573400276 1026564095 /nfs/dbraw/zinc/56/40/95/1026564095.db2.gz UOMKAZRAYXAGIE-GARJFASQSA-N -1 0 305.352 -0.141 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001573402661 1026564744 /nfs/dbraw/zinc/56/47/44/1026564744.db2.gz KYQIYWMPWCENRW-MNOVXSKESA-N -1 0 313.354 -0.898 20 0 DBADRM C[C@H](C(=O)[O-])N(C1CC1)S(=O)(=O)CCN1CCOC1=O ZINC001573407917 1026564849 /nfs/dbraw/zinc/56/48/49/1026564849.db2.gz RYDJGVCWJBFHPM-MRVPVSSYSA-N -1 0 306.340 -0.294 20 0 DBADRM CC(=O)CSCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001573402183 1026564900 /nfs/dbraw/zinc/56/49/00/1026564900.db2.gz IOLBWWYKUPATGO-SECBINFHSA-N -1 0 302.352 -0.500 20 0 DBADRM CC(C)(C)OC(=O)[C@@]1(C(=O)NC[C@](C)(O)C(=O)[O-])CCCO1 ZINC001573406880 1026565170 /nfs/dbraw/zinc/56/51/70/1026565170.db2.gz IIFHMNJYMGYIDG-KBPBESRZSA-N -1 0 317.338 -0.171 20 0 DBADRM CC(=O)N1CCC(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])CC1 ZINC001573409800 1026566280 /nfs/dbraw/zinc/56/62/80/1026566280.db2.gz GXLDEJRLJKAFJB-LLVKDONJSA-N -1 0 309.326 -0.894 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)NC(=O)CNC(=O)[O-] ZINC001573402324 1026566214 /nfs/dbraw/zinc/56/62/14/1026566214.db2.gz JSRVFEUOSJJQLR-IUCAKERBSA-N -1 0 316.358 -0.868 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001573410389 1026567155 /nfs/dbraw/zinc/56/71/55/1026567155.db2.gz NYSDPOIDKPZLQR-UINNMSKDSA-N -1 0 313.354 -0.661 20 0 DBADRM CC(=O)N1CCC(N(CCO)c2ccnc(C(=O)[O-])n2)CC1 ZINC001573411355 1026567343 /nfs/dbraw/zinc/56/73/43/1026567343.db2.gz PWCGWKXPAMRRSI-UHFFFAOYSA-N -1 0 308.338 -0.016 20 0 DBADRM CC(=O)N1CCC(OC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001573411757 1026567410 /nfs/dbraw/zinc/56/74/10/1026567410.db2.gz WAQHXPMPDMZTJP-QWHCGFSZSA-N -1 0 310.350 -0.055 20 0 DBADRM CC(=O)N1CCOC2(CCC(NC(=O)CNC(=O)[O-])CC2)C1 ZINC001573413843 1026567874 /nfs/dbraw/zinc/56/78/74/1026567874.db2.gz JZYOVICJKJWGRY-UHFFFAOYSA-N -1 0 313.354 -0.070 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)C1 ZINC001573414961 1026568060 /nfs/dbraw/zinc/56/80/60/1026568060.db2.gz XWMCAQZBKKCMOM-SNVBAGLBSA-N -1 0 321.337 -0.163 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001573413191 1026568176 /nfs/dbraw/zinc/56/81/76/1026568176.db2.gz DCZKISTUDQWTOM-WDEREUQCSA-N -1 0 314.338 -0.280 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N[C@H](CC2OCCO2)C(=O)[O-])C1 ZINC001573411062 1026568252 /nfs/dbraw/zinc/56/82/52/1026568252.db2.gz HYPCTHWGOYOKAM-WDEREUQCSA-N -1 0 314.338 -0.423 20 0 DBADRM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001573414950 1026568402 /nfs/dbraw/zinc/56/84/02/1026568402.db2.gz XPWWJGOSASVKBN-SNVBAGLBSA-N -1 0 313.335 -0.321 20 0 DBADRM CC(=O)N1CCN(C(=O)CCNc2nccc(C(=O)[O-])n2)CC1 ZINC001573413961 1026568481 /nfs/dbraw/zinc/56/84/81/1026568481.db2.gz NEYMLCRZMHUUNQ-UHFFFAOYSA-N -1 0 321.337 -0.333 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001573416901 1026568493 /nfs/dbraw/zinc/56/84/93/1026568493.db2.gz DGOYTCBCMNCEAU-NXEZZACHSA-N -1 0 313.354 -0.804 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](C)NC(=O)CNC(=O)[O-] ZINC001573418781 1026568866 /nfs/dbraw/zinc/56/88/66/1026568866.db2.gz VGFQCTNGDRCABY-QMMMGPOBSA-N -1 0 316.358 -0.868 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C)CC(=O)[O-] ZINC001573421322 1026569039 /nfs/dbraw/zinc/56/90/39/1026569039.db2.gz JNRKELSKAARBJZ-MRVPVSSYSA-N -1 0 315.370 -0.225 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001573421727 1026569238 /nfs/dbraw/zinc/56/92/38/1026569238.db2.gz LCCBJMJOSOWXBZ-SCZZXKLOSA-N -1 0 321.337 -0.866 20 0 DBADRM CC(=O)N[C@](C)(C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])C(C)C ZINC001573418444 1026569511 /nfs/dbraw/zinc/56/95/11/1026569511.db2.gz QYQOEFDDAGJIRV-HZMBPMFUSA-N -1 0 316.354 -0.130 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N(C)CCN(C)C(=O)CNC(=O)[O-] ZINC001573418079 1026569542 /nfs/dbraw/zinc/56/95/42/1026569542.db2.gz NKMPTYISXHNWHA-UHFFFAOYSA-N -1 0 316.358 -0.915 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N(C)CCNc1ncc(C(=O)[O-])cn1 ZINC001573417689 1026569573 /nfs/dbraw/zinc/56/95/73/1026569573.db2.gz KWDKXHKCUWOSHL-UHFFFAOYSA-N -1 0 323.353 -0.040 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001573421726 1026569833 /nfs/dbraw/zinc/56/98/33/1026569833.db2.gz LCCBJMJOSOWXBZ-PSASIEDQSA-N -1 0 321.337 -0.866 20 0 DBADRM CC(=O)N1C[C@@H]2CN(S(=O)(=O)[C@H]3C[C@@H](C(=O)[O-])C3)C[C@@H]2C1 ZINC001573418717 1026570098 /nfs/dbraw/zinc/57/00/98/1026570098.db2.gz SJZMJSQWSHCETQ-HUVAQWKNSA-N -1 0 316.379 -0.411 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)[C@H](C)C(=O)[O-] ZINC001573421944 1026570154 /nfs/dbraw/zinc/57/01/54/1026570154.db2.gz NVVUXLNDIYCYPT-MRVPVSSYSA-N -1 0 315.370 -0.273 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001573420871 1026570294 /nfs/dbraw/zinc/57/02/94/1026570294.db2.gz GADQZXUBFKVBBG-MRVPVSSYSA-N -1 0 320.367 -0.951 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573428058 1026570871 /nfs/dbraw/zinc/57/08/71/1026570871.db2.gz PMYONEVPVCWNNV-JTQLQIEISA-N -1 0 307.310 -0.676 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001573423353 1026571027 /nfs/dbraw/zinc/57/10/27/1026571027.db2.gz XLIOMVBNAYOECZ-HTQZYQBOSA-N -1 0 309.326 -0.962 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001573427003 1026571640 /nfs/dbraw/zinc/57/16/40/1026571640.db2.gz PIWVIKSEGZNFQH-HGNGGELXSA-N -1 0 321.337 -0.820 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001573422922 1026571891 /nfs/dbraw/zinc/57/18/91/1026571891.db2.gz UCJUVGQCDSZSJC-QMMMGPOBSA-N -1 0 323.353 -0.572 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001573427004 1026571934 /nfs/dbraw/zinc/57/19/34/1026571934.db2.gz PIWVIKSEGZNFQH-QNSHHTMESA-N -1 0 321.337 -0.820 20 0 DBADRM CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001573427860 1026572039 /nfs/dbraw/zinc/57/20/39/1026572039.db2.gz LCJIJKUITSUFBJ-KXNHARMFSA-N -1 0 323.349 -0.955 20 0 DBADRM CC(=O)N[C@H]1CC2(CN(C(=O)CNC(=O)[O-])C2)n2ccnc21 ZINC001573427367 1026572164 /nfs/dbraw/zinc/57/21/64/1026572164.db2.gz XJARMWXGVTVHJW-VIFPVBQESA-N -1 0 307.310 -0.731 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])no1 ZINC001573427810 1026572248 /nfs/dbraw/zinc/57/22/48/1026572248.db2.gz JOOXIZHKEPMHBB-SECBINFHSA-N -1 0 324.293 -0.562 20 0 DBADRM CC(=O)NCC(=O)N[C@H](C)CCNc1ccnc(C(=O)[O-])n1 ZINC001573430925 1026573272 /nfs/dbraw/zinc/57/32/72/1026573272.db2.gz WRSBPGQMAAMYGU-MRVPVSSYSA-N -1 0 309.326 -0.961 20 0 DBADRM CC(=O)NCC(=O)N[C@H](CNc1ncc(C(=O)[O-])cn1)C1CC1 ZINC001573429321 1026573546 /nfs/dbraw/zinc/57/35/46/1026573546.db2.gz HSNJWXAWHIIOOJ-LLVKDONJSA-N -1 0 321.337 -0.382 20 0 DBADRM CC(=O)NCC(=O)N1CCCN(c2cc(C(=O)[O-])ncn2)CC1 ZINC001573428179 1026573550 /nfs/dbraw/zinc/57/35/50/1026573550.db2.gz RJNBOIKEJNWHDZ-UHFFFAOYSA-N -1 0 321.337 -0.650 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001573430500 1026573563 /nfs/dbraw/zinc/57/35/63/1026573563.db2.gz QZQUSQLNYBHAFS-NSHDSACASA-N -1 0 313.354 -0.612 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](C)CN(C)c1ncc(C(=O)[O-])cn1 ZINC001573429792 1026573831 /nfs/dbraw/zinc/57/38/31/1026573831.db2.gz MEMGQSOWKSKEQY-QMMMGPOBSA-N -1 0 309.326 -0.748 20 0 DBADRM CC(=O)N[C@@H](C(=O)N[C@H](CC1OCCO1)C(=O)[O-])C(C)C ZINC001573435936 1026575033 /nfs/dbraw/zinc/57/50/33/1026575033.db2.gz FPUNZAOURNRDMY-MWLCHTKSSA-N -1 0 302.327 -0.521 20 0 DBADRM CC(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001573436634 1026575054 /nfs/dbraw/zinc/57/50/54/1026575054.db2.gz XOAQIQBAWKAOCF-DTWKUNHWSA-N -1 0 308.294 -0.845 20 0 DBADRM CC(=O)NCc1cccc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)c1 ZINC001573435620 1026575193 /nfs/dbraw/zinc/57/51/93/1026575193.db2.gz DEVUVMWFMHGTRI-OAHLLOKOSA-N -1 0 306.318 -0.016 20 0 DBADRM CC(=O)N[C@H](C(=O)NCCn1cc(C(=O)[O-])nn1)C(C)(C)C ZINC001573435884 1026575446 /nfs/dbraw/zinc/57/54/46/1026575446.db2.gz CGCCRVJPYOFGPG-SNVBAGLBSA-N -1 0 311.342 -0.357 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NCCc1ccccc1C(=O)[O-])C(N)=O ZINC001573435858 1026575466 /nfs/dbraw/zinc/57/54/66/1026575466.db2.gz BEBUNKQONLPDJH-LBPRGKRZSA-N -1 0 321.333 -0.576 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@H](CC(=O)[O-])C1CCCC1)C(N)=O ZINC001573436233 1026575681 /nfs/dbraw/zinc/57/56/81/1026575681.db2.gz LEJIOROREYQHDE-MNOVXSKESA-N -1 0 313.354 -0.484 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001573436741 1026575769 /nfs/dbraw/zinc/57/57/69/1026575769.db2.gz VMZZSBPJPQYLFD-LLVKDONJSA-N -1 0 315.370 -0.366 20 0 DBADRM CC(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])nc1 ZINC001573443587 1026576129 /nfs/dbraw/zinc/57/61/29/1026576129.db2.gz WQBSLHVJDRYILJ-YUMQZZPRSA-N -1 0 322.321 -0.252 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](C)CCNc1ncc(C(=O)[O-])cn1 ZINC001573430944 1026576223 /nfs/dbraw/zinc/57/62/23/1026576223.db2.gz XDPWUNDPEORSRZ-QMMMGPOBSA-N -1 0 309.326 -0.382 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCCC(=O)[O-])C1 ZINC001573465002 1026576992 /nfs/dbraw/zinc/57/69/92/1026576992.db2.gz MBKZIHUKBQFJMA-UHFFFAOYSA-N -1 0 302.327 -0.051 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)NCc1nc(C(=O)[O-])n[nH]1 ZINC001573459876 1026577505 /nfs/dbraw/zinc/57/75/05/1026577505.db2.gz JYHMCGYYZZMRMQ-UHFFFAOYSA-N -1 0 314.298 -0.523 20 0 DBADRM CC(C)(C)OC(=O)NCC1(C(=O)NCC(=O)[O-])CC(O)C1 ZINC001573465647 1026577980 /nfs/dbraw/zinc/57/79/80/1026577980.db2.gz UMTFNMMYMRMLBJ-UHFFFAOYSA-N -1 0 302.327 -0.147 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)NCC(=O)[O-])C1 ZINC001573464702 1026578118 /nfs/dbraw/zinc/57/81/18/1026578118.db2.gz IWTUEJCCDKOHEL-CYBMUJFWSA-N -1 0 302.327 -0.051 20 0 DBADRM CC(C)(CC(=O)[O-])CC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001573476623 1026580070 /nfs/dbraw/zinc/58/00/70/1026580070.db2.gz KQBWZAJWIDDZMN-LBPRGKRZSA-N -1 0 307.368 -0.457 20 0 DBADRM CC(C)(CNC(=O)c1cnc(C(=O)[O-])cn1)CS(C)(=O)=O ZINC001573478522 1026580348 /nfs/dbraw/zinc/58/03/48/1026580348.db2.gz RTHDSZZEMVBICD-UHFFFAOYSA-N -1 0 315.351 -0.025 20 0 DBADRM CC(C)(CNS(C)(=O)=O)NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001573481952 1026580395 /nfs/dbraw/zinc/58/03/95/1026580395.db2.gz JTZFSXVUDTXISI-SECBINFHSA-N -1 0 319.383 -0.213 20 0 DBADRM CC(C)(C)n1cc(CNC(=O)[C@H](O)CC(=O)[O-])c(=O)[nH]c1=O ZINC001573475423 1026580404 /nfs/dbraw/zinc/58/04/04/1026580404.db2.gz NGGLLGLZHUYSBV-MRVPVSSYSA-N -1 0 313.310 -0.844 20 0 DBADRM CC(C)(CO)CNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001573478050 1026580413 /nfs/dbraw/zinc/58/04/13/1026580413.db2.gz HCTLXMTVMIAWMC-SNVBAGLBSA-N -1 0 315.370 -0.230 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001573494899 1026580972 /nfs/dbraw/zinc/58/09/72/1026580972.db2.gz QYMKPHJAYDAXBD-TVQRCGJNSA-N -1 0 315.326 -0.384 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001573492502 1026581157 /nfs/dbraw/zinc/58/11/57/1026581157.db2.gz SGJGPQFMIRDRKW-NXEZZACHSA-N -1 0 313.354 -0.674 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001573492910 1026581365 /nfs/dbraw/zinc/58/13/65/1026581365.db2.gz UTMVMOSWSIJCPL-VHSXEESVSA-N -1 0 315.370 -0.367 20 0 DBADRM CC(C)C[C@@H](CNC(=O)NCC(C)(CO)CO)NC(=O)[O-] ZINC001573502297 1026581727 /nfs/dbraw/zinc/58/17/27/1026581727.db2.gz NCYARFGFDQPBKB-JTQLQIEISA-N -1 0 305.375 -0.041 20 0 DBADRM CC(C)(NC(=O)c1cn(CC(=O)[O-])nn1)[C@H](O)C(F)(F)F ZINC001573482765 1026581908 /nfs/dbraw/zinc/58/19/08/1026581908.db2.gz DZEMYBMUMMHPNL-QMMMGPOBSA-N -1 0 310.232 -0.206 20 0 DBADRM CC(C)C[C@@](C)(CNC(=O)[C@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC001573491308 1026582335 /nfs/dbraw/zinc/58/23/35/1026582335.db2.gz KGERRPMHADFLRZ-SKDRFNHKSA-N -1 0 306.384 -0.069 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001573495391 1026582423 /nfs/dbraw/zinc/58/24/23/1026582423.db2.gz WCAPAMIEYJEOHY-LMLFDSFASA-N -1 0 318.395 -0.261 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC001573495143 1026582531 /nfs/dbraw/zinc/58/25/31/1026582531.db2.gz UEXSVYWHMQBLMO-VIFPVBQESA-N -1 0 321.399 -0.181 20 0 DBADRM CC(C)(NC(=O)c1cn(CC(=O)[O-])nn1)[C@@H](O)C(F)(F)F ZINC001573482764 1026582595 /nfs/dbraw/zinc/58/25/95/1026582595.db2.gz DZEMYBMUMMHPNL-MRVPVSSYSA-N -1 0 310.232 -0.206 20 0 DBADRM CC(C)[C@H](O)CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001573499336 1026582637 /nfs/dbraw/zinc/58/26/37/1026582637.db2.gz JQJZVUDQVCLOST-WDEREUQCSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001573491234 1026582931 /nfs/dbraw/zinc/58/29/31/1026582931.db2.gz CIRSCAPQFMBGFQ-MRVPVSSYSA-N -1 0 307.372 -0.394 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC001573491140 1026582949 /nfs/dbraw/zinc/58/29/49/1026582949.db2.gz FINBPZYOQZUTCA-HZMBPMFUSA-N -1 0 316.354 -0.883 20 0 DBADRM CC(C)C[C@@H](C(N)=O)N(C)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001573516568 1026583811 /nfs/dbraw/zinc/58/38/11/1026583811.db2.gz XQDMKMNVOORQMG-ZJUUUORDSA-N -1 0 321.399 -0.388 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC001573530673 1026584085 /nfs/dbraw/zinc/58/40/85/1026584085.db2.gz BELZMDWRVNQPAO-VHSXEESVSA-N -1 0 301.343 -0.325 20 0 DBADRM CC(C)COC[C@H](O)CNC(=O)Nc1ncn(CC(=O)[O-])n1 ZINC001573516367 1026584143 /nfs/dbraw/zinc/58/41/43/1026584143.db2.gz QPPJWXBBQJEEDX-SECBINFHSA-N -1 0 315.330 -0.482 20 0 DBADRM CC(C)OCCS(=O)(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573523377 1026584506 /nfs/dbraw/zinc/58/45/06/1026584506.db2.gz DGEUILNZWWYNDR-UWVGGRQHSA-N -1 0 310.372 -0.699 20 0 DBADRM CC(C)NC(=O)[C@@H](C)NS(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC001573525263 1026585050 /nfs/dbraw/zinc/58/50/50/1026585050.db2.gz RTEVVZNLGJRUCQ-SECBINFHSA-N -1 0 321.399 -0.039 20 0 DBADRM CC(C)N(CCC(=O)[O-])C(=O)c1nc2ncc(CCO)cn2n1 ZINC001573519809 1026585062 /nfs/dbraw/zinc/58/50/62/1026585062.db2.gz ZELPGTWJPOBXPB-UHFFFAOYSA-N -1 0 321.337 -0.016 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001573540035 1026586251 /nfs/dbraw/zinc/58/62/51/1026586251.db2.gz CBNHVHDBVVOPKX-SSDOTTSWSA-N -1 0 316.339 -0.890 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001573540698 1026586284 /nfs/dbraw/zinc/58/62/84/1026586284.db2.gz NFKNLNASVMHCKE-ZETCQYMHSA-N -1 0 316.339 -0.890 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)C1=C[S@@](=O)CCC1)C(=O)[O-] ZINC001573552620 1026588418 /nfs/dbraw/zinc/58/84/18/1026588418.db2.gz GOYMDRZOWQWXLH-VQXVYSPMSA-N -1 0 302.352 -0.493 20 0 DBADRM C[C@H](CNC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)CC(=O)[O-] ZINC001573551696 1026589030 /nfs/dbraw/zinc/58/90/30/1026589030.db2.gz OHMMERPOZZISAT-YUMQZZPRSA-N -1 0 311.298 -0.773 20 0 DBADRM C[C@H](CNC(=O)Nc1ccc(S(C)(=O)=O)nn1)C(=O)[O-] ZINC001573552954 1026589358 /nfs/dbraw/zinc/58/93/58/1026589358.db2.gz UUTVCUSBHXJVMY-ZCFIWIBFSA-N -1 0 302.312 -0.278 20 0 DBADRM CC(CO)(CO)CNC(=O)NCCc1nc(C(=O)[O-])cs1 ZINC001573550859 1026589897 /nfs/dbraw/zinc/58/98/97/1026589897.db2.gz JBCODDHEXIGMDK-UHFFFAOYSA-N -1 0 317.367 -0.326 20 0 DBADRM C[C@H](NS(=O)(=O)C1(CC(=O)[O-])CC1)C1N=NC(=O)N1C ZINC001573578266 1026595465 /nfs/dbraw/zinc/59/54/65/1026595465.db2.gz BKSHQEXQCUKDSZ-LURJTMIESA-N -1 0 304.328 -0.492 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)[O-])C1N=NC(=O)N1C ZINC001573560572 1026590619 /nfs/dbraw/zinc/59/06/19/1026590619.db2.gz VNVUNLUFTNGYJN-RITPCOANSA-N -1 0 301.328 -0.249 20 0 DBADRM C[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1nc(C(=O)[O-])n[nH]1 ZINC001573559437 1026590926 /nfs/dbraw/zinc/59/09/26/1026590926.db2.gz CRIYOFNGBDQYQK-RQJHMYQMSA-N -1 0 316.339 -0.495 20 0 DBADRM C[C@H](NC(=O)C1(N2CCOCC2)CC1)c1nc(C(=O)[O-])n[nH]1 ZINC001573560141 1026591075 /nfs/dbraw/zinc/59/10/75/1026591075.db2.gz QMGXVOSJTIJOEI-QMMMGPOBSA-N -1 0 309.326 -0.455 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1CC1 ZINC001573560198 1026591598 /nfs/dbraw/zinc/59/15/98/1026591598.db2.gz RNDBUUSKKSUGGV-VGMNWLOBSA-N -1 0 306.384 -0.070 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)C[C@@H]1CCC2(CCC2)O1)C(=O)[O-] ZINC001573580330 1026596093 /nfs/dbraw/zinc/59/60/93/1026596093.db2.gz DFNRRXVLVOXSHW-GXSJLCMTSA-N -1 0 307.368 -0.157 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)Nc1nccc(S(C)(=O)=O)n1)C(=O)[O-] ZINC001573559470 1026591860 /nfs/dbraw/zinc/59/18/60/1026591860.db2.gz DFDNWMOBCWIVST-RNFRBKRXSA-N -1 0 316.339 -0.730 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573554711 1026591917 /nfs/dbraw/zinc/59/19/17/1026591917.db2.gz ZFEUDBZRMXDOGK-IVZWLZJFSA-N -1 0 315.370 -0.376 20 0 DBADRM C[C@@H](NC(=O)c1ncccc1N(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573559789 1026592014 /nfs/dbraw/zinc/59/20/14/1026592014.db2.gz JKWCIKNXUJCKJI-BDAKNGLRSA-N -1 0 308.338 -0.145 20 0 DBADRM C[C@@H](NC(=O)COCc1nccn1C)c1nc(C(=O)[O-])n[nH]1 ZINC001573561123 1026592602 /nfs/dbraw/zinc/59/26/02/1026592602.db2.gz CLAQEOZPMXSSBK-SSDOTTSWSA-N -1 0 308.298 -0.370 20 0 DBADRM C[C@@H](NC(=O)C1=C2CCCN=C2NN1)c1nc(C(=O)[O-])n[nH]1 ZINC001573572133 1026592756 /nfs/dbraw/zinc/59/27/56/1026592756.db2.gz ONEQDSOSSZONQH-RXMQYKEDSA-N -1 0 305.298 -0.766 20 0 DBADRM C[C@H](NC(=O)CNC(=O)c1ccncc1)c1nc(C(=O)[O-])n[nH]1 ZINC001573560998 1026592782 /nfs/dbraw/zinc/59/27/82/1026592782.db2.gz AQSFFVWVVZWDOJ-ZETCQYMHSA-N -1 0 318.293 -0.495 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccn2nccc2n1)C(=O)[O-] ZINC001573560678 1026593472 /nfs/dbraw/zinc/59/34/72/1026593472.db2.gz WNSMTAMHALCJOC-JGVFFNPUSA-N -1 0 305.294 -0.563 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCCn2ncnc21)c1nc(C(=O)[O-])n[nH]1 ZINC001573560993 1026593539 /nfs/dbraw/zinc/59/35/39/1026593539.db2.gz ZGYYZYYEUPOOKP-RQJHMYQMSA-N -1 0 305.298 -0.151 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cncc2[nH]cnc21)C(=O)[O-] ZINC001573560792 1026594176 /nfs/dbraw/zinc/59/41/76/1026594176.db2.gz XZABVXAQTXTRGP-BQBZGAKWSA-N -1 0 305.294 -0.335 20 0 DBADRM C[C@](NC(=O)[C@@H]1CSCC(=O)N1)(C(=O)[O-])C(F)(F)F ZINC001573568812 1026594310 /nfs/dbraw/zinc/59/43/10/1026594310.db2.gz FGZRPQUPLZYLQY-NVNXEXLPSA-N -1 0 300.258 -0.260 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccnn1C)c1nc(C(=O)[O-])n[nH]1 ZINC001573579172 1026595643 /nfs/dbraw/zinc/59/56/43/1026595643.db2.gz QWNASUNQBJRHPE-YFKPBYRVSA-N -1 0 300.300 -0.724 20 0 DBADRM C[C@](O)(CNC(=O)c1ccoc1C1(O)CCOCC1)C(=O)[O-] ZINC001573581103 1026595922 /nfs/dbraw/zinc/59/59/22/1026595922.db2.gz IABDPMLWERRWSO-ZDUSSCGKSA-N -1 0 313.306 -0.157 20 0 DBADRM C[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ncnn1C ZINC001573578384 1026596019 /nfs/dbraw/zinc/59/60/19/1026596019.db2.gz DLGHPKLTSDFWNZ-RXMQYKEDSA-N -1 0 300.300 -0.724 20 0 DBADRM C[C@@H](NC(=O)c1nc2ncc(CCO)cn2n1)[C@H](C)C(=O)[O-] ZINC001573573806 1026596050 /nfs/dbraw/zinc/59/60/50/1026596050.db2.gz XDNQREBZWWASJK-JGVFFNPUSA-N -1 0 307.310 -0.502 20 0 DBADRM C[C@H](NS(=O)(=O)N=[S@@](C)(=O)N(C)C)[C@H](C)C(=O)[O-] ZINC001573578753 1026596271 /nfs/dbraw/zinc/59/62/71/1026596271.db2.gz MDGOIKKCKJHKQV-XKRJZGAWSA-N -1 0 301.390 -0.496 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)Nc2nnc(CC(=O)[O-])s2)CCO1 ZINC001573580206 1026596496 /nfs/dbraw/zinc/59/64/96/1026596496.db2.gz CGILCQXFTAKPDM-RNFRBKRXSA-N -1 0 316.339 -0.221 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)NCc1cc(C(=O)[O-])no1 ZINC001573581836 1026598182 /nfs/dbraw/zinc/59/81/82/1026598182.db2.gz KXIJPMVKJHZCAW-SFYZADRCSA-N -1 0 301.299 -0.354 20 0 DBADRM C[C@](O)(CNC(=O)c1ccc2c(c1)C(=O)NCCO2)C(=O)[O-] ZINC001573582644 1026598189 /nfs/dbraw/zinc/59/81/89/1026598189.db2.gz OGTYTSPWZANMEI-AWEZNQCLSA-N -1 0 308.290 -0.626 20 0 DBADRM C[C@H](O)[C@@H](O)CN1CCN(c2nc(C(=O)[O-])cs2)CC1 ZINC001573583303 1026598466 /nfs/dbraw/zinc/59/84/66/1026598466.db2.gz SNJQAAVYANMRNL-WPRPVWTQSA-N -1 0 301.368 -0.295 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1cccc2c1NC(=O)CO2)C(=O)[O-] ZINC001573584035 1026598604 /nfs/dbraw/zinc/59/86/04/1026598604.db2.gz YZYBFZULOWAHIT-CYBMUJFWSA-N -1 0 309.278 -0.025 20 0 DBADRM C[C@]1(C(=O)[O-])CN(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)CCO1 ZINC001573602198 1026599445 /nfs/dbraw/zinc/59/94/45/1026599445.db2.gz SXXRTSVDNTWBSF-YAMSLAJTSA-N -1 0 314.338 -0.325 20 0 DBADRM C[C@](CO)(NC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1ccc(O)cc1 ZINC001573601561 1026600599 /nfs/dbraw/zinc/60/05/99/1026600599.db2.gz OVHUUUUOOQKKCX-BXUZGUMPSA-N -1 0 308.290 -0.055 20 0 DBADRM C[C@@H](CNC(=O)NCc1nc2c(c(=O)[nH]1)COCC2)C(=O)[O-] ZINC001573599979 1026600748 /nfs/dbraw/zinc/60/07/48/1026600748.db2.gz ZUKGCQMBOMYRSW-ZETCQYMHSA-N -1 0 310.310 -0.225 20 0 DBADRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)c1nnc2c(=O)[nH]ccn21 ZINC001573623905 1026602903 /nfs/dbraw/zinc/60/29/03/1026602903.db2.gz XKIBTGSEEQFVKW-FWXDICJISA-N -1 0 305.294 -0.294 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001573626536 1026603519 /nfs/dbraw/zinc/60/35/19/1026603519.db2.gz PTXBMXRUTQHZLG-VIFPVBQESA-N -1 0 313.335 -0.189 20 0 DBADRM CC1=NO[C@H](CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)C1 ZINC001573626223 1026603783 /nfs/dbraw/zinc/60/37/83/1026603783.db2.gz NHJSIVZJUNUSDQ-GUBZILKMSA-N -1 0 300.315 -0.579 20 0 DBADRM C[C@@]1(NC(=O)NCCc2nc(C(=O)[O-])cs2)CCNC1=O ZINC001573621928 1026604295 /nfs/dbraw/zinc/60/42/95/1026604295.db2.gz CEYGFELGKDJELA-GFCCVEGCSA-N -1 0 312.351 -0.038 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC001573626530 1026604499 /nfs/dbraw/zinc/60/44/99/1026604499.db2.gz PRNZDGSFCBOIEN-JGVFFNPUSA-N -1 0 300.340 -0.333 20 0 DBADRM CC1=NO[C@H](CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)C1 ZINC001573626225 1026604677 /nfs/dbraw/zinc/60/46/77/1026604677.db2.gz NHJSIVZJUNUSDQ-LPEHRKFASA-N -1 0 300.315 -0.579 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)NCC1(C(=O)[O-])CC1 ZINC001573627056 1026604719 /nfs/dbraw/zinc/60/47/19/1026604719.db2.gz VSRZZTWFNIEZMP-UHFFFAOYSA-N -1 0 301.324 -0.498 20 0 DBADRM C[C@]1(CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)CCCO1 ZINC001573620444 1026604740 /nfs/dbraw/zinc/60/47/40/1026604740.db2.gz XHRSTNPTXVNSLX-GBIKHYSHSA-N -1 0 301.343 -0.175 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)[C@@H](C)O1 ZINC001573633837 1026605978 /nfs/dbraw/zinc/60/59/78/1026605978.db2.gz CIYXWWMLNGLHKP-MVCUBJFGSA-N -1 0 301.343 -0.178 20 0 DBADRM C[C@@H]1CC[C@H](CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)O1 ZINC001573636417 1026606417 /nfs/dbraw/zinc/60/64/17/1026606417.db2.gz PGTOPZPCZQNYOZ-GWOFURMSSA-N -1 0 301.343 -0.176 20 0 DBADRM C[C@@H](NS(=O)(=O)N1CC[C@@H](C)C1)c1nc(C(=O)[O-])n[nH]1 ZINC001573646828 1026607150 /nfs/dbraw/zinc/60/71/50/1026607150.db2.gz VPDRCUKSROZRNP-RNFRBKRXSA-N -1 0 303.344 -0.260 20 0 DBADRM C[C@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)[C@H](O)c1cnn(C)c1 ZINC001573653863 1026608614 /nfs/dbraw/zinc/60/86/14/1026608614.db2.gz DPQFFMLLVYRWJY-QPUJVOFHSA-N -1 0 319.321 -0.221 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)NCCCn2ccc(=O)[nH]c2=O)C1 ZINC001573652945 1026608647 /nfs/dbraw/zinc/60/86/47/1026608647.db2.gz KPRJDYYNRYNFFM-AWEZNQCLSA-N -1 0 324.337 -0.155 20 0 DBADRM C[C@H]1NC(=O)NC(Cn2cc(S(C)(=O)=O)cn2)=C1C(=O)[O-] ZINC001573661708 1026610234 /nfs/dbraw/zinc/61/02/34/1026610234.db2.gz RBRBEPRQWOFOFV-ZCFIWIBFSA-N -1 0 314.323 -0.673 20 0 DBADRM CC[C@H](C)C[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C(=O)[O-] ZINC001573671579 1026614409 /nfs/dbraw/zinc/61/44/09/1026614409.db2.gz CPBFBIFEGBSNMT-HGNGGELXSA-N -1 0 301.343 -0.628 20 0 DBADRM CC1(C)[C@H]2[C@H](CCCN2C(=O)c2cn(CC(=O)[O-])nn2)[C@@H]1O ZINC001573678052 1026617138 /nfs/dbraw/zinc/61/71/38/1026617138.db2.gz HWIWDRLMGRORGX-AXTRIDKLSA-N -1 0 308.338 -0.016 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N2CCO[C@@](C)(C(=O)[O-])C2)nn1 ZINC001573710156 1026623370 /nfs/dbraw/zinc/62/33/70/1026623370.db2.gz VUSSWKLECFHLJN-NOZJJQNGSA-N -1 0 312.326 -0.635 20 0 DBADRM CCC[C@H](C(=O)N1CCO[C@](C)(C(=O)[O-])C1)S(N)(=O)=O ZINC001573721231 1026623231 /nfs/dbraw/zinc/62/32/31/1026623231.db2.gz CRZFLKNZTBKDEH-KCJUWKMLSA-N -1 0 308.356 -0.854 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001573724175 1026624058 /nfs/dbraw/zinc/62/40/58/1026624058.db2.gz FVUWJYNVNIHFPR-DTWKUNHWSA-N -1 0 313.397 -0.406 20 0 DBADRM CCC[C@H](CNS(=O)(=O)c1n[nH]cc1C(=O)OC)C(=O)[O-] ZINC001573733426 1026624689 /nfs/dbraw/zinc/62/46/89/1026624689.db2.gz HSAFMWJKIZYMET-SSDOTTSWSA-N -1 0 319.339 -0.025 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC001573725196 1026625115 /nfs/dbraw/zinc/62/51/15/1026625115.db2.gz XUBCIQZQXOPEJP-DTWKUNHWSA-N -1 0 308.356 -0.854 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@H](CO)c1cnn(C)c1 ZINC001573725359 1026625249 /nfs/dbraw/zinc/62/52/49/1026625249.db2.gz YUIQIFQWHAOZIO-NXEZZACHSA-N -1 0 305.356 -0.374 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@H](C(N)=O)c1ccccn1 ZINC001573725028 1026625508 /nfs/dbraw/zinc/62/55/08/1026625508.db2.gz WMJLWECBFTWYIB-ZJUUUORDSA-N -1 0 315.351 -0.219 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NCC1N=NC(=O)N1C1CC1 ZINC001573725158 1026625519 /nfs/dbraw/zinc/62/55/19/1026625519.db2.gz XLTVELVLPCAURI-MRVPVSSYSA-N -1 0 318.355 -0.009 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NCC(=O)N=S(C)(C)=O ZINC001573724893 1026625566 /nfs/dbraw/zinc/62/55/66/1026625566.db2.gz UFCGYSAPXJZPOC-SSDOTTSWSA-N -1 0 314.385 -0.587 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573733204 1026625690 /nfs/dbraw/zinc/62/56/90/1026625690.db2.gz FZEBGWNUTVWSDK-KXUCPTDWSA-N -1 0 316.358 -0.700 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N[C@H](C(N)=O)c1ccccn1 ZINC001573725026 1026625730 /nfs/dbraw/zinc/62/57/30/1026625730.db2.gz WMJLWECBFTWYIB-UWVGGRQHSA-N -1 0 315.351 -0.219 20 0 DBADRM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001573747608 1026626725 /nfs/dbraw/zinc/62/67/25/1026626725.db2.gz GFIRCNXYXPGZSX-VHSXEESVSA-N -1 0 308.338 -0.298 20 0 DBADRM CCCN(CC(N)=O)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001573752129 1026627973 /nfs/dbraw/zinc/62/79/73/1026627973.db2.gz CDIVKJYHHZPUJC-UHFFFAOYSA-N -1 0 314.367 -0.094 20 0 DBADRM CCCCS(=O)(=O)CC(=O)NCc1[nH]cnc1C(=O)[O-] ZINC001573735693 1026628388 /nfs/dbraw/zinc/62/83/88/1026628388.db2.gz RSTOBEAHHIGWFI-UHFFFAOYSA-N -1 0 303.340 -0.061 20 0 DBADRM CCCc1nnc(SCC(=O)N2CC[C@H](C(=O)[O-])C2)n1N ZINC001573765129 1026630509 /nfs/dbraw/zinc/63/05/09/1026630509.db2.gz WKPKCWVGLOUWLE-QMMMGPOBSA-N -1 0 313.383 -0.030 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001573770962 1026630637 /nfs/dbraw/zinc/63/06/37/1026630637.db2.gz JOXOXNCVQYCZFR-UHFFFAOYSA-N -1 0 318.355 -0.272 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@H](NC(=O)C1CCCC1)[C@H](C)O ZINC001573769941 1026630976 /nfs/dbraw/zinc/63/09/76/1026630976.db2.gz IZIUAIWNMIYINK-JOYOIKCWSA-N -1 0 300.355 -0.025 20 0 DBADRM CCNC(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccncc1 ZINC001573778407 1026633043 /nfs/dbraw/zinc/63/30/43/1026633043.db2.gz VNRMMARMODQAFZ-CHWSQXEVSA-N -1 0 309.322 -0.399 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@H](O)CC(=O)[O-])c1cccc(O)c1 ZINC001573785000 1026633198 /nfs/dbraw/zinc/63/31/98/1026633198.db2.gz OLNAXGXLKYIJTD-ZYHUDNBSSA-N -1 0 311.290 -0.052 20 0 DBADRM CCOC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)CC(=O)[O-] ZINC001573788299 1026634531 /nfs/dbraw/zinc/63/45/31/1026634531.db2.gz VZCYCPGZQVCLPV-HTQZYQBOSA-N -1 0 306.340 -0.530 20 0 DBADRM CCOC(=O)[C@H](NC(=O)CNC(=O)[O-])[C@H](O)c1cccnc1 ZINC001573784031 1026633531 /nfs/dbraw/zinc/63/35/31/1026633531.db2.gz AIFKUKGZGVWORZ-GHMZBOCLSA-N -1 0 311.294 -0.570 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573781960 1026633568 /nfs/dbraw/zinc/63/35/68/1026633568.db2.gz MPAIDCWOWQUAFV-XFWSIPNHSA-N -1 0 314.338 -0.330 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N1CCC[C@](COC)(C(=O)[O-])C1 ZINC001573785521 1026634379 /nfs/dbraw/zinc/63/43/79/1026634379.db2.gz ATJKRMZCBMOUPI-YGRLFVJLSA-N -1 0 317.338 -0.360 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N(C)[C@@H](C(=O)[O-])c1cccnc1 ZINC001573786298 1026634565 /nfs/dbraw/zinc/63/45/65/1026634565.db2.gz OJUNDHRAZHAQJJ-ZYHUDNBSSA-N -1 0 310.306 -0.020 20 0 DBADRM CCOC(=O)CC1(NS(=O)(=O)C2(CC(=O)[O-])CC2)COC1 ZINC001573786175 1026634579 /nfs/dbraw/zinc/63/45/79/1026634579.db2.gz KILFCZJMQAROHE-UHFFFAOYSA-N -1 0 321.351 -0.365 20 0 DBADRM CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001573787958 1026634649 /nfs/dbraw/zinc/63/46/49/1026634649.db2.gz PWSMKQSHKQXPJQ-MMWGEVLESA-N -1 0 314.338 -0.337 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-] ZINC001573786611 1026634853 /nfs/dbraw/zinc/63/48/53/1026634853.db2.gz WKBQGRUTONIWNW-ZJUUUORDSA-N -1 0 317.338 -0.171 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)CC1(C(=O)[O-])CCC1 ZINC001573788464 1026635167 /nfs/dbraw/zinc/63/51/67/1026635167.db2.gz ZBULOCWLXCKQGU-UHFFFAOYSA-N -1 0 300.311 -0.492 20 0 DBADRM CCO[C@@H](C(=O)N(CC(N)=O)CC(=O)[O-])C1CCOCC1 ZINC001573794858 1026636269 /nfs/dbraw/zinc/63/62/69/1026636269.db2.gz BRFWNDHDFLIHST-GFCCVEGCSA-N -1 0 302.327 -0.783 20 0 DBADRM CC[C@H](CNC(=O)NC[C@]1(CO)COCCN1C)C(=O)[O-] ZINC001573797851 1026636538 /nfs/dbraw/zinc/63/65/38/1026636538.db2.gz GRZVAJIWLIYTKI-MFKMUULPSA-N -1 0 303.359 -0.911 20 0 DBADRM CC[C@H](CNC(=O)NC[C@@]1(OC)CCS(=O)(=O)C1)C(=O)[O-] ZINC001573798047 1026636546 /nfs/dbraw/zinc/63/65/46/1026636546.db2.gz MHSLAOZYGOWGRU-SKDRFNHKSA-N -1 0 322.383 -0.400 20 0 DBADRM CCO[C@H]1COCC[C@@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573801964 1026636720 /nfs/dbraw/zinc/63/67/20/1026636720.db2.gz KIOTUEXEMIDLQZ-IUCAKERBSA-N -1 0 319.339 -0.420 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)Nc1cc(C)nn1CC(=O)[O-] ZINC001573807805 1026637851 /nfs/dbraw/zinc/63/78/51/1026637851.db2.gz ZKAZPWLSGMHKMP-UHFFFAOYSA-N -1 0 318.355 -0.504 20 0 DBADRM CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N(C)CC(=O)[O-])c1 ZINC001573807636 1026638426 /nfs/dbraw/zinc/63/84/26/1026638426.db2.gz REMUYSHKCAUHOH-UHFFFAOYSA-N -1 0 302.308 -0.263 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)NC2(C(=O)[O-])CCOCC2)nn1 ZINC001573813733 1026638943 /nfs/dbraw/zinc/63/89/43/1026638943.db2.gz PZTGKQOZRAZSRZ-SECBINFHSA-N -1 0 312.326 -0.587 20 0 DBADRM CC[C@H](C)[C@H](NS(=O)(=O)C1CCN(C(=O)[O-])CC1)C(N)=O ZINC001573815657 1026639575 /nfs/dbraw/zinc/63/95/75/1026639575.db2.gz WOJPHLXCYHSCGF-WPRPVWTQSA-N -1 0 321.399 -0.052 20 0 DBADRM CCS(=O)(=O)NCCN1CC[C@@H](c2n[nH]cc2C(=O)[O-])C1 ZINC001573807702 1026639590 /nfs/dbraw/zinc/63/95/90/1026639590.db2.gz UOWXFIHTZPCNEO-SECBINFHSA-N -1 0 316.383 -0.164 20 0 DBADRM CC[C@H]1CN(CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@]1(F)C(=O)[O-] ZINC001573824343 1026639728 /nfs/dbraw/zinc/63/97/28/1026639728.db2.gz LUXKJXJCYMPZGI-PKFCDNJMSA-N -1 0 317.361 -0.286 20 0 DBADRM CCC[C@@H](C(=O)N(CCOC)CCC(=O)[O-])S(N)(=O)=O ZINC001573832112 1026641159 /nfs/dbraw/zinc/64/11/59/1026641159.db2.gz OYYTWRJCWDKCMN-VIFPVBQESA-N -1 0 310.372 -0.607 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001573844227 1026641182 /nfs/dbraw/zinc/64/11/82/1026641182.db2.gz CXPXMZDYGPGVLZ-SSDOTTSWSA-N -1 0 302.312 -0.769 20 0 DBADRM CN(C(=O)CSCC(N)=O)c1ncc(CC(=O)[O-])s1 ZINC001573852965 1026643069 /nfs/dbraw/zinc/64/30/69/1026643069.db2.gz SUQDEYITXFLAQF-UHFFFAOYSA-N -1 0 303.365 -0.049 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)nn1 ZINC001573858382 1026643708 /nfs/dbraw/zinc/64/37/08/1026643708.db2.gz ARGRMYUUQOCDAN-VDDIYKPWSA-N -1 0 321.337 -0.841 20 0 DBADRM CCn1nnc(C)c1CN1CCOC[C@H]1C(=O)NCC(=O)[O-] ZINC001573850495 1026643830 /nfs/dbraw/zinc/64/38/30/1026643830.db2.gz KDLZHRAKCPJZHV-NSHDSACASA-N -1 0 311.342 -0.992 20 0 DBADRM CN(C)S(=O)(=O)N1CCC(n2cnc(C(=O)[O-])c2N)CC1 ZINC001573863585 1026644840 /nfs/dbraw/zinc/64/48/40/1026644840.db2.gz FVRPOQMSOKRBRT-UHFFFAOYSA-N -1 0 317.371 -0.393 20 0 DBADRM C[N@H+](CC(=O)N1CCC[C@H](C(=O)[O-])C1)C[C@]1(O)CCCOC1 ZINC001573864521 1026645719 /nfs/dbraw/zinc/64/57/19/1026645719.db2.gz IDMTTZXHVSSYBZ-SWLSCSKDSA-N -1 0 314.382 -0.217 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N2CC[C@@H]([C@@H](F)C(=O)[O-])C2)n1 ZINC001573865873 1026647350 /nfs/dbraw/zinc/64/73/50/1026647350.db2.gz QVUAZAXXEYKARP-RNFRBKRXSA-N -1 0 312.305 -0.595 20 0 DBADRM CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)CCNC(=O)[O-] ZINC001573870768 1026647376 /nfs/dbraw/zinc/64/73/76/1026647376.db2.gz RXTBBUAHCIDPRC-VIFPVBQESA-N -1 0 319.358 -0.012 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001573865601 1026647500 /nfs/dbraw/zinc/64/75/00/1026647500.db2.gz NUCHDORHFSCAOB-PUERIAAYSA-N -1 0 313.401 -0.352 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)CC1(C(=O)[O-])CCOCC1 ZINC001573873053 1026647811 /nfs/dbraw/zinc/64/78/11/1026647811.db2.gz UAUJNSONYXBYLE-UHFFFAOYSA-N -1 0 308.356 -0.995 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NC1(CC(=O)[O-])COC1 ZINC001573865442 1026647904 /nfs/dbraw/zinc/64/79/04/1026647904.db2.gz WBYNTJYQROSNBH-UHFFFAOYSA-N -1 0 308.356 -0.825 20 0 DBADRM CN(CC(=O)[O-])C(=O)Cc1ccc(S(=O)(=O)CCO)cc1 ZINC001573864953 1026648193 /nfs/dbraw/zinc/64/81/93/1026648193.db2.gz PGZMJKNBCBKNJB-UHFFFAOYSA-N -1 0 315.347 -0.462 20 0 DBADRM CN(C)c1noc(CNC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)n1 ZINC001573865144 1026648283 /nfs/dbraw/zinc/64/82/83/1026648283.db2.gz IPBWNVHDONLNKX-KHQFGBGNSA-N -1 0 309.326 -0.002 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N2CC[C@H]([C@@H](F)C(=O)[O-])C2)n1 ZINC001573865872 1026648462 /nfs/dbraw/zinc/64/84/62/1026648462.db2.gz QVUAZAXXEYKARP-NKWVEPMBSA-N -1 0 312.305 -0.595 20 0 DBADRM CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H](O)CC(=O)[O-] ZINC001573871176 1026648500 /nfs/dbraw/zinc/64/85/00/1026648500.db2.gz WQGFQGVSYGOGJU-LLVKDONJSA-N -1 0 302.371 -0.361 20 0 DBADRM CCN1C[C@@H](C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)CC1=O ZINC001573883560 1026649151 /nfs/dbraw/zinc/64/91/51/1026649151.db2.gz FPQZIGHLCJCMOZ-QMMMGPOBSA-N -1 0 322.321 -0.082 20 0 DBADRM CCN1C[C@H](S(=O)(=O)NC2(CC(=O)[O-])CCC2)CC1=O ZINC001573883745 1026649446 /nfs/dbraw/zinc/64/94/46/1026649446.db2.gz ORPIUVIQWAAUEY-SECBINFHSA-N -1 0 304.368 -0.076 20 0 DBADRM CN1C(=O)CN=C1NC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC001573883181 1026649534 /nfs/dbraw/zinc/64/95/34/1026649534.db2.gz QAZGSZRSJHIWMS-SNVBAGLBSA-N -1 0 304.306 -0.191 20 0 DBADRM CN1C[C@@H](C(=O)N2CCC[C@H]2c2n[nH]nc2C(=O)[O-])NC1=O ZINC001573883317 1026650317 /nfs/dbraw/zinc/65/03/17/1026650317.db2.gz UPBNRGNMHNHHPN-BQBZGAKWSA-N -1 0 308.298 -0.810 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C1 ZINC001573884488 1026652534 /nfs/dbraw/zinc/65/25/34/1026652534.db2.gz HIIMMTBVUNAWDC-WHOHXGKFSA-N -1 0 318.395 -0.701 20 0 DBADRM CN1CCN(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)CC1 ZINC001573884583 1026653403 /nfs/dbraw/zinc/65/34/03/1026653403.db2.gz INKQRFDRWSIZST-UHFFFAOYSA-N -1 0 305.400 -0.335 20 0 DBADRM CCOC(=O)[C@@H](C)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001573888290 1026653752 /nfs/dbraw/zinc/65/37/52/1026653752.db2.gz ULRMSIKGEHOTFO-UWVGGRQHSA-N -1 0 314.338 -0.375 20 0 DBADRM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)CCC(=O)[O-] ZINC001573907345 1026659424 /nfs/dbraw/zinc/65/94/24/1026659424.db2.gz OKKZTGNPGCOASA-SECBINFHSA-N -1 0 311.356 -0.311 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc(C(=O)[O-])c(C)[nH]1 ZINC001573889884 1026654561 /nfs/dbraw/zinc/65/45/61/1026654561.db2.gz BQNXBBPGMKEMDB-JTQLQIEISA-N -1 0 319.321 -0.168 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1Cc1[nH]nc(C)c1C(=O)[O-] ZINC001573890436 1026654974 /nfs/dbraw/zinc/65/49/74/1026654974.db2.gz PAADHEGJZGRZMM-VIFPVBQESA-N -1 0 311.342 -0.454 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)C2CCN(C(=O)[O-])CC2)CC1=O ZINC001573889683 1026655629 /nfs/dbraw/zinc/65/56/29/1026655629.db2.gz UBSBZPPVXBXCAB-QMMMGPOBSA-N -1 0 305.356 -0.721 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001573894748 1026657804 /nfs/dbraw/zinc/65/78/04/1026657804.db2.gz LCTUQINKYPLSLD-NOZJJQNGSA-N -1 0 303.311 -0.750 20 0 DBADRM CCOC(=O)C(NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C(=O)OCC ZINC001573890939 1026657946 /nfs/dbraw/zinc/65/79/46/1026657946.db2.gz PLQIGKSEHZQGMZ-JGVFFNPUSA-N -1 0 301.295 -0.292 20 0 DBADRM COC(=O)[C@](C)(O)CNC(=O)CC1(C(=O)[O-])CCOCC1 ZINC001573907015 1026658243 /nfs/dbraw/zinc/65/82/43/1026658243.db2.gz JERFTAMYONGLGU-GFCCVEGCSA-N -1 0 303.311 -0.702 20 0 DBADRM COC(=O)[C@H](Cn1ccnc1)NC(=O)CCCN(C)C(=O)[O-] ZINC001573907127 1026658371 /nfs/dbraw/zinc/65/83/71/1026658371.db2.gz LRSVZXQSAFRJNJ-JTQLQIEISA-N -1 0 312.326 -0.069 20 0 DBADRM CNS(=O)(=O)NC1CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC001573910235 1026659463 /nfs/dbraw/zinc/65/94/63/1026659463.db2.gz IUBKPNUGSHTMEY-UHFFFAOYSA-N -1 0 316.383 -0.269 20 0 DBADRM COC(=O)C(C)(C)CNS(=O)(=O)Cc1cc(C(=O)[O-])no1 ZINC001573910522 1026659628 /nfs/dbraw/zinc/65/96/28/1026659628.db2.gz OQAIGCWNAQDKJU-UHFFFAOYSA-N -1 0 320.323 -0.009 20 0 DBADRM COC(=O)[C@H](O)C1CCN(C(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001573916432 1026662553 /nfs/dbraw/zinc/66/25/53/1026662553.db2.gz RPLQWFDBUHZOEN-SNVBAGLBSA-N -1 0 312.278 -0.241 20 0 DBADRM COC(=O)[C@]1(CNC(=O)[C@H](NC(=O)[O-])C(C)C)CCOC1 ZINC001573915760 1026662599 /nfs/dbraw/zinc/66/25/99/1026662599.db2.gz JQMUBBWWPWHVJY-RNCFNFMXSA-N -1 0 302.327 -0.026 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)c2ccc(C(=O)[O-])c(C)n2)C1 ZINC001573916700 1026662994 /nfs/dbraw/zinc/66/29/94/1026662994.db2.gz VYXGBRFLYKXCCO-CQSZACIVSA-N -1 0 308.290 -0.162 20 0 DBADRM COC(=O)C1(S(=O)(=O)NCc2[nH]cnc2C(=O)[O-])CCC1 ZINC001573916663 1026663138 /nfs/dbraw/zinc/66/31/38/1026663138.db2.gz ULBPZCIIWBQYPJ-UHFFFAOYSA-N -1 0 317.323 -0.377 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001573915018 1026663232 /nfs/dbraw/zinc/66/32/32/1026663232.db2.gz DXHJBJOQYIDOEQ-BDAKNGLRSA-N -1 0 321.351 -0.821 20 0 DBADRM CC(C)(F)C(=O)NC/C=C\CNc1ccnc(-c2nnn[n-]2)n1 ZINC001573917019 1026664010 /nfs/dbraw/zinc/66/40/10/1026664010.db2.gz HKSRYQRFEFWFKR-ARJAWSKDSA-N -1 0 320.332 -0.089 20 0 DBADRM COC(=O)N(C)CC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001573922207 1026664692 /nfs/dbraw/zinc/66/46/92/1026664692.db2.gz GWQLODSCYJNTOK-GHMZBOCLSA-N -1 0 311.294 -0.617 20 0 DBADRM COC(=O)CNC(=O)CSc1[nH]c(=O)nc(C)c1C(=O)[O-] ZINC001573921940 1026665858 /nfs/dbraw/zinc/66/58/58/1026665858.db2.gz VMTGFMKXVDXXIU-UHFFFAOYSA-N -1 0 315.307 -0.430 20 0 DBADRM COC(=O)N(C)CC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001573922208 1026665921 /nfs/dbraw/zinc/66/59/21/1026665921.db2.gz GWQLODSCYJNTOK-MNOVXSKESA-N -1 0 311.294 -0.617 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001573928563 1026667593 /nfs/dbraw/zinc/66/75/93/1026667593.db2.gz DZWFIIJAWLEZBQ-UWVGGRQHSA-N -1 0 306.384 -0.163 20 0 DBADRM COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc(C(=O)[O-])no1 ZINC001573934951 1026667851 /nfs/dbraw/zinc/66/78/51/1026667851.db2.gz HGDKKANYCRHPSC-QMMMGPOBSA-N -1 0 308.250 -0.390 20 0 DBADRM CCS(=O)(=O)CCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001573929127 1026667875 /nfs/dbraw/zinc/66/78/75/1026667875.db2.gz SADKEGYJEJLEOL-UHFFFAOYSA-N -1 0 316.335 -0.903 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573935090 1026668008 /nfs/dbraw/zinc/66/80/08/1026668008.db2.gz KTGHHZSMZNDGKW-ZYUZMQFOSA-N -1 0 315.326 -0.935 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCC(=O)[O-])c(OC)cc1F ZINC001573940506 1026668877 /nfs/dbraw/zinc/66/88/77/1026668877.db2.gz CSWXBSBPXRUIEF-UHFFFAOYSA-N -1 0 321.282 -0.016 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1c1cc(CCC(=O)[O-])nc(C)n1 ZINC001573935267 1026668933 /nfs/dbraw/zinc/66/89/33/1026668933.db2.gz NHJKMKYSDRRJIG-GHMZBOCLSA-N -1 0 309.322 -0.085 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCCN(C)C(=O)[O-] ZINC001573966036 1026677235 /nfs/dbraw/zinc/67/72/35/1026677235.db2.gz DLCKGBIBTAECRD-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC1(C(=O)[O-])CCOCC1 ZINC001573935313 1026669334 /nfs/dbraw/zinc/66/93/34/1026669334.db2.gz QDZOHTYTZQLRQT-ZJUUUORDSA-N -1 0 315.322 -0.607 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2ncn(CC(=O)[O-])n2)C[C@H]1C ZINC001573935688 1026669520 /nfs/dbraw/zinc/66/95/20/1026669520.db2.gz YWFHPGDAARVPHY-HTQZYQBOSA-N -1 0 311.298 -0.365 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)NCC(=O)[O-])CC1 ZINC001573935714 1026669934 /nfs/dbraw/zinc/66/99/34/1026669934.db2.gz ZGOREVASWZLFFU-VHSXEESVSA-N -1 0 312.322 -0.765 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])n[nH]1 ZINC001573938042 1026670110 /nfs/dbraw/zinc/67/01/10/1026670110.db2.gz IDYIRHPMVZPDJS-ZCFIWIBFSA-N -1 0 321.336 -0.656 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])C2CCC2)n[nH]1 ZINC001573939160 1026670181 /nfs/dbraw/zinc/67/01/81/1026670181.db2.gz VOEFJYRBHLKWJH-UHFFFAOYSA-N -1 0 317.323 -0.176 20 0 DBADRM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)C2 ZINC001573935628 1026670252 /nfs/dbraw/zinc/67/02/52/1026670252.db2.gz VIUAJPXYHOKCEP-PUXPGTEJSA-N -1 0 312.322 -0.177 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001573935587 1026670289 /nfs/dbraw/zinc/67/02/89/1026670289.db2.gz YEIHQGBPNQVUCZ-JGVFFNPUSA-N -1 0 312.282 -0.430 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCC2(C(=O)[O-])CC2)c[nH]1 ZINC001573940458 1026670392 /nfs/dbraw/zinc/67/03/92/1026670392.db2.gz ANNRRSQYJZJOSG-UHFFFAOYSA-N -1 0 302.308 -0.056 20 0 DBADRM COC1(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CS(=O)(=O)C1 ZINC001573947888 1026672335 /nfs/dbraw/zinc/67/23/35/1026672335.db2.gz CVPSMVBTJNAJJC-YIZRAAEISA-N -1 0 303.336 -0.736 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)NC[C@H](C)C(=O)[O-] ZINC001573947573 1026672454 /nfs/dbraw/zinc/67/24/54/1026672454.db2.gz JAGAXGNPJMMHJB-ZETCQYMHSA-N -1 0 300.267 -0.185 20 0 DBADRM CCc1c[nH]c(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001573952926 1026673044 /nfs/dbraw/zinc/67/30/44/1026673044.db2.gz OLJWFLIFSFUMDW-JTQLQIEISA-N -1 0 308.338 -0.089 20 0 DBADRM CO[C@]1(C(=O)Nc2ccc(C(=O)[O-])nc2)CCS(=O)(=O)C1 ZINC001573949120 1026673748 /nfs/dbraw/zinc/67/37/48/1026673748.db2.gz MYZYKSWHWULMPX-GFCCVEGCSA-N -1 0 314.319 -0.078 20 0 DBADRM CO[C@@]1(C(=O)Nc2nc(C(=O)[O-])c[nH]2)CCS(=O)(=O)C1 ZINC001573948141 1026674198 /nfs/dbraw/zinc/67/41/98/1026674198.db2.gz GSLQXRNTZQZABR-JTQLQIEISA-N -1 0 303.296 -0.750 20 0 DBADRM CO[C@H](C(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO)c1cnn(C)c1 ZINC001573948453 1026674335 /nfs/dbraw/zinc/67/43/35/1026674335.db2.gz RYSSHOCDQORQHU-MXWKQRLJSA-N -1 0 312.326 -0.806 20 0 DBADRM CO[C@H](C(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO)c1cnn(C)c1 ZINC001573948454 1026674382 /nfs/dbraw/zinc/67/43/82/1026674382.db2.gz RYSSHOCDQORQHU-VWYCJHECSA-N -1 0 312.326 -0.806 20 0 DBADRM CO[C@H]1COCC[C@@H]1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573966535 1026677888 /nfs/dbraw/zinc/67/78/88/1026677888.db2.gz JRWBXOLHCYZPEL-APPZFPTMSA-N -1 0 319.339 -0.562 20 0 DBADRM CO[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)[O-])(S(C)(=O)=O)CC1 ZINC001573992532 1026687355 /nfs/dbraw/zinc/68/73/55/1026687355.db2.gz SBCMADZNCVWLEE-RKDXNWHRSA-N -1 0 305.352 -0.488 20 0 DBADRM COCC1(O)CN(C(=O)Nc2cccn(CC(=O)[O-])c2=O)C1 ZINC001573974151 1026681360 /nfs/dbraw/zinc/68/13/60/1026681360.db2.gz ICRGNZFKMRCOLA-UHFFFAOYSA-N -1 0 311.294 -0.842 20 0 DBADRM COCC1(CS(=O)(=O)NC2(CC(=O)[O-])COC2)CCC1 ZINC001573974272 1026682065 /nfs/dbraw/zinc/68/20/65/1026682065.db2.gz JXZDMLDUXPJRCW-UHFFFAOYSA-N -1 0 307.368 -0.034 20 0 DBADRM COCC[C@H](COC)NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573975337 1026682198 /nfs/dbraw/zinc/68/21/98/1026682198.db2.gz PSPASBOQQFBCIV-HBNTYKKESA-N -1 0 319.358 -0.692 20 0 DBADRM CCc1nncn1CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001573970409 1026682381 /nfs/dbraw/zinc/68/23/81/1026682381.db2.gz MXNPUTHTZIVJSZ-JTQLQIEISA-N -1 0 323.353 -0.720 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)nn1 ZINC001573982948 1026684275 /nfs/dbraw/zinc/68/42/75/1026684275.db2.gz IYZBYUYOHDTPCD-UHFFFAOYSA-N -1 0 307.270 -0.960 20 0 DBADRM COCC[C@H](C)CNC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573976682 1026684353 /nfs/dbraw/zinc/68/43/53/1026684353.db2.gz ZJYJZPVSPUBTKM-DCAQKATOSA-N -1 0 303.359 -0.071 20 0 DBADRM CN(C)C1(CS(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1 ZINC001573986481 1026686023 /nfs/dbraw/zinc/68/60/23/1026686023.db2.gz MACYVSZBZGQECB-GWCFXTLKSA-N -1 0 318.395 -0.557 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc2c(c1)nnn2C)C(=O)[O-] ZINC001573990648 1026686435 /nfs/dbraw/zinc/68/64/35/1026686435.db2.gz JPBBPSNEIIJSLM-VIFPVBQESA-N -1 0 314.323 -0.654 20 0 DBADRM CO[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001573991982 1026686479 /nfs/dbraw/zinc/68/64/79/1026686479.db2.gz ADZSAGCTQDBUBX-SGIHWFKDSA-N -1 0 301.343 -0.169 20 0 DBADRM COC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1C)C(=O)[O-] ZINC001573990886 1026686797 /nfs/dbraw/zinc/68/67/97/1026686797.db2.gz NHIRFNRUHXIMGD-JTQLQIEISA-N -1 0 316.335 -0.528 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])CC2 ZINC001573993318 1026687852 /nfs/dbraw/zinc/68/78/52/1026687852.db2.gz PQRHDIRGIUENJH-LPEHRKFASA-N -1 0 308.338 -0.034 20 0 DBADRM CC(C)[C@@H](C)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001574004869 1026688108 /nfs/dbraw/zinc/68/81/08/1026688108.db2.gz ZCTCHQNGNIMWLJ-MRVPVSSYSA-N -1 0 321.341 -0.463 20 0 DBADRM CN(CCCCO)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001574013301 1026689706 /nfs/dbraw/zinc/68/97/06/1026689706.db2.gz SSVAIAJWTFPXMV-UHFFFAOYSA-N -1 0 307.368 -0.503 20 0 DBADRM COc1cc(OC)cc([C@H](O)CNC(=O)[C@@H](O)CC(=O)[O-])c1 ZINC001574027263 1026689962 /nfs/dbraw/zinc/68/99/62/1026689962.db2.gz UXJZRLZDJPJOSV-NWDGAFQWSA-N -1 0 313.306 -0.311 20 0 DBADRM COc1cc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccncc2)ncn1 ZINC001574012819 1026690595 /nfs/dbraw/zinc/69/05/95/1026690595.db2.gz WLGYFYJRIXJZPO-VXGBXAGGSA-N -1 0 318.289 -0.203 20 0 DBADRM COc1ccc(-n2cc(C(=O)NC[C@@](C)(O)C(=O)[O-])nn2)cc1 ZINC001574024092 1026691093 /nfs/dbraw/zinc/69/10/93/1026691093.db2.gz UHZFPNMJKSQLIY-CQSZACIVSA-N -1 0 320.305 -0.159 20 0 DBADRM COc1ccc([C@@]2(C(=O)N[C@@H](CO)C(=O)[O-])C[C@@H](O)C2)cc1 ZINC001574034119 1026691999 /nfs/dbraw/zinc/69/19/99/1026691999.db2.gz XSSLAFRDUPCEHY-WBIUFABUSA-N -1 0 309.318 -0.351 20 0 DBADRM COc1ccc(NC(=O)[C@H](O)CC(=O)[O-])cc1S(C)(=O)=O ZINC001574035453 1026692118 /nfs/dbraw/zinc/69/21/18/1026692118.db2.gz UQHHRBAFTADWIP-MRVPVSSYSA-N -1 0 317.319 -0.127 20 0 DBADRM COC(=O)[C@H](NC(=O)COCC(=O)[O-])[C@H]1CCC[C@H](OC)C1 ZINC001574045077 1026692319 /nfs/dbraw/zinc/69/23/19/1026692319.db2.gz ATOKHJJPBAMZBY-OUJBWJOFSA-N -1 0 317.338 -0.049 20 0 DBADRM CNc1cnc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cn1 ZINC001574038327 1026692542 /nfs/dbraw/zinc/69/25/42/1026692542.db2.gz QLYUADGBBILAGT-VIFPVBQESA-N -1 0 321.337 -0.286 20 0 DBADRM COc1ccc(CC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)nc1 ZINC001574031195 1026693689 /nfs/dbraw/zinc/69/36/89/1026693689.db2.gz TUQCTQFGMWGRKW-SKDRFNHKSA-N -1 0 309.322 -0.280 20 0 DBADRM COc1nn(C)cc1NC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001574053734 1026694299 /nfs/dbraw/zinc/69/42/99/1026694299.db2.gz DNHKROGHXACGOY-SFYZADRCSA-N -1 0 313.314 -0.479 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C1CC1 ZINC001574046845 1026694381 /nfs/dbraw/zinc/69/43/81/1026694381.db2.gz NVCZOIAVECCMKN-NSHDSACASA-N -1 0 308.290 -0.386 20 0 DBADRM COc1nn(C)cc1NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001574053732 1026694868 /nfs/dbraw/zinc/69/48/68/1026694868.db2.gz DNHKROGHXACGOY-JGVFFNPUSA-N -1 0 313.314 -0.479 20 0 DBADRM COc1nscc1CN1CCOC[C@@H]1C(=O)NCC(=O)[O-] ZINC001574055137 1026694887 /nfs/dbraw/zinc/69/48/87/1026694887.db2.gz RCSAJSQJLZFOHJ-SECBINFHSA-N -1 0 315.351 -0.447 20 0 DBADRM COc1nnc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)s1 ZINC001574053694 1026694944 /nfs/dbraw/zinc/69/49/44/1026694944.db2.gz DIPHTPCQXNMANK-WDSKDSINSA-N -1 0 317.327 -0.361 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C(C)(C)NC(=O)OC ZINC001574056139 1026697069 /nfs/dbraw/zinc/69/70/69/1026697069.db2.gz XCSKNVILFSGSEP-UHFFFAOYSA-N -1 0 304.299 -0.403 20 0 DBADRM COC(=O)CC(C)(C)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001574056802 1026697106 /nfs/dbraw/zinc/69/71/06/1026697106.db2.gz WVHROMHHAWQXOA-VIFPVBQESA-N -1 0 322.383 -0.041 20 0 DBADRM CS(=O)(=O)C1(C(=O)[O-])CCN(C(=O)c2cnco2)CC1 ZINC001574057436 1026697149 /nfs/dbraw/zinc/69/71/49/1026697149.db2.gz MOWLDXHARJVZTR-UHFFFAOYSA-N -1 0 302.308 -0.221 20 0 DBADRM CS(=O)(=O)c1cccnc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001574059115 1026697984 /nfs/dbraw/zinc/69/79/84/1026697984.db2.gz DLOIDRZPBQWLHN-QMMMGPOBSA-N -1 0 314.319 -0.589 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001574059517 1026698023 /nfs/dbraw/zinc/69/80/23/1026698023.db2.gz NGTCYFUBBLZWLT-AFWXGSBKSA-N -1 0 304.368 -0.316 20 0 DBADRM CS(=O)(=O)c1ccc(CCC(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC001574059127 1026698031 /nfs/dbraw/zinc/69/80/31/1026698031.db2.gz DZWAVSSEUIFDLS-LLVKDONJSA-N -1 0 315.347 -0.416 20 0 DBADRM CS(=O)(=O)c1ccc(CN[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)o1 ZINC001574059353 1026698115 /nfs/dbraw/zinc/69/81/15/1026698115.db2.gz IRJWCONTRPMRMN-PSASIEDQSA-N -1 0 318.351 -0.257 20 0 DBADRM CS(=O)(=O)CC(=O)N1CCC[C@H]1c1n[nH]nc1C(=O)[O-] ZINC001574057714 1026698393 /nfs/dbraw/zinc/69/83/93/1026698393.db2.gz WQZJLKKSVWEZJA-LURJTMIESA-N -1 0 302.312 -0.789 20 0 DBADRM CS(=O)(=O)CC1(NC(=O)c2ccc(C(=O)[O-])cn2)COC1 ZINC001574057799 1026698570 /nfs/dbraw/zinc/69/85/70/1026698570.db2.gz ZIMLXILEEPVXRS-UHFFFAOYSA-N -1 0 314.319 -0.677 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 ZINC001574060120 1026699914 /nfs/dbraw/zinc/69/99/14/1026699914.db2.gz YCTRYOYQHCZESI-JLTPVHFHSA-N -1 0 317.363 -0.236 20 0 DBADRM CC(C)[C@H](F)C(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001574064068 1026700186 /nfs/dbraw/zinc/70/01/86/1026700186.db2.gz HTLGTTMESCHNPJ-JTQLQIEISA-N -1 0 322.348 -0.057 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC001574059722 1026700339 /nfs/dbraw/zinc/70/03/39/1026700339.db2.gz QEOJGPBBDKUOTA-FPVGNUTFSA-N -1 0 316.379 -0.521 20 0 DBADRM COC(=O)[C@@H](O)CCNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001574076203 1026700582 /nfs/dbraw/zinc/70/05/82/1026700582.db2.gz VLQDHEIMFNXHOV-GUBZILKMSA-N -1 0 303.311 -0.704 20 0 DBADRM COC(=O)[C@@H](NCCCNC(=O)[C@@H](OC)C(=O)[O-])C(C)C ZINC001574074836 1026700626 /nfs/dbraw/zinc/70/06/26/1026700626.db2.gz BMMSCXOWQUXEPX-VHSXEESVSA-N -1 0 304.343 -0.621 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001574060138 1026700658 /nfs/dbraw/zinc/70/06/58/1026700658.db2.gz YRPNMIVXFKSDCL-VHSXEESVSA-N -1 0 304.368 -0.505 20 0 DBADRM COC(=O)COCC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001574065809 1026700783 /nfs/dbraw/zinc/70/07/83/1026700783.db2.gz FLQOQTDYFOQUDJ-UHFFFAOYSA-N -1 0 303.311 -0.342 20 0 DBADRM CSCc1noc(CCC(=O)N(CC(N)=O)CC(=O)[O-])n1 ZINC001574096394 1026702154 /nfs/dbraw/zinc/70/21/54/1026702154.db2.gz KNLFXOSUOYKNML-UHFFFAOYSA-N -1 0 316.339 -0.736 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001574097083 1026702245 /nfs/dbraw/zinc/70/22/45/1026702245.db2.gz HNNBIELXQJVIIA-NRFANRHFSA-N -1 0 313.335 -0.380 20 0 DBADRM CSC[C@H](NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C(=O)[O-] ZINC001574096674 1026703371 /nfs/dbraw/zinc/70/33/71/1026703371.db2.gz QQZRAMOTBMYYJB-ATVNZZIWSA-N -1 0 315.347 -0.361 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)[C@H]2CCC(=O)O2)CC1 ZINC001574097452 1026703764 /nfs/dbraw/zinc/70/37/64/1026703764.db2.gz MSXWBJTZRHGWJA-ZPWHCFADSA-N -1 0 303.336 -0.484 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC001574097544 1026704503 /nfs/dbraw/zinc/70/45/03/1026704503.db2.gz POQKGFNKTUODOR-MRVPVSSYSA-N -1 0 320.371 -0.318 20 0 DBADRM C[C@@H]1CN(c2cnc(C(=O)[O-])cn2)C[C@H]1CS(N)(=O)=O ZINC001574104765 1026704685 /nfs/dbraw/zinc/70/46/85/1026704685.db2.gz KZVGOCQUQUDUCX-SFYZADRCSA-N -1 0 300.340 -0.464 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)CC1(C(=O)[O-])CCOCC1 ZINC001574097494 1026705392 /nfs/dbraw/zinc/70/53/92/1026705392.db2.gz NRNLNUUQGWFYBV-UHFFFAOYSA-N -1 0 320.367 -0.372 20 0 DBADRM C[C@@H]1[C@H](NC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)CCS1(=O)=O ZINC001574104124 1026705660 /nfs/dbraw/zinc/70/56/60/1026705660.db2.gz GDWIXVFIWCCSCS-KAMPLNKDSA-N -1 0 316.379 -0.076 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC001574102171 1026705771 /nfs/dbraw/zinc/70/57/71/1026705771.db2.gz RQVCFCDGBQYRBD-BDAKNGLRSA-N -1 0 308.356 -0.984 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001574105232 1026707955 /nfs/dbraw/zinc/70/79/55/1026707955.db2.gz NIYQYQUVTNKRAL-JTQLQIEISA-N -1 0 316.335 -0.908 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC001574107048 1026708021 /nfs/dbraw/zinc/70/80/21/1026708021.db2.gz YLEUHWHNHIUQFF-ZJUUUORDSA-N -1 0 321.289 -0.525 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CC[C@@H](C(=O)Nc2cn[nH]c2)C1 ZINC001574106578 1026708210 /nfs/dbraw/zinc/70/82/10/1026708210.db2.gz YRYSAUYYNFTFIU-OQPBUACISA-N -1 0 310.310 -0.314 20 0 DBADRM CO[C@@]1(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCS(=O)(=O)C1 ZINC001574121332 1026708668 /nfs/dbraw/zinc/70/86/68/1026708668.db2.gz WNOKCFGKPGQBOK-KBVBSXBZSA-N -1 0 305.352 -0.583 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001574114396 1026709018 /nfs/dbraw/zinc/70/90/18/1026709018.db2.gz UQXGPQZKEAPQJR-STQMWFEESA-N -1 0 304.306 -0.041 20 0 DBADRM Cc1c(C(=O)[O-])n[nH]c1NC(=O)CN(C)CC(=O)NC(C)C ZINC001574118650 1026709054 /nfs/dbraw/zinc/70/90/54/1026709054.db2.gz JREKWYKODZSAPP-UHFFFAOYSA-N -1 0 311.342 -0.189 20 0 DBADRM CO[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001574120227 1026709774 /nfs/dbraw/zinc/70/97/74/1026709774.db2.gz LEEXUCAKINTAGA-CYBMUJFWSA-N -1 0 320.345 -0.001 20 0 DBADRM Cc1c(NC(=O)[C@@](C)(O)Cn2ccccc2=O)[nH]nc1C(=O)[O-] ZINC001574120359 1026709950 /nfs/dbraw/zinc/70/99/50/1026709950.db2.gz GMPXWRCEUCFXFF-AWEZNQCLSA-N -1 0 320.305 -0.032 20 0 DBADRM Cc1[nH]c(C(=O)N(C)CCS(N)(=O)=O)c(C)c1C(=O)[O-] ZINC001574114374 1026710041 /nfs/dbraw/zinc/71/00/41/1026710041.db2.gz XIZSBXPKUTVNBQ-UHFFFAOYSA-N -1 0 303.340 -0.310 20 0 DBADRM CO[C@H]1COCC[C@H]1CC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001574117615 1026710314 /nfs/dbraw/zinc/71/03/14/1026710314.db2.gz CACVLTNFRVWXRA-ASHKBJFXSA-N -1 0 313.350 -0.012 20 0 DBADRM Cc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(C)n1NC(N)=O ZINC001574127862 1026711154 /nfs/dbraw/zinc/71/11/54/1026711154.db2.gz OCTJHSMFHBKCPO-SNVBAGLBSA-N -1 0 310.310 -0.347 20 0 DBADRM Cc1cc(C)c(C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])c(=O)o1 ZINC001574129450 1026711569 /nfs/dbraw/zinc/71/15/69/1026711569.db2.gz PQRICZHONIVKNQ-DTWKUNHWSA-N -1 0 310.306 -0.036 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[C@H](NC(=O)[C@@H](O)CC(=O)[O-])C2)n1 ZINC001574126836 1026711898 /nfs/dbraw/zinc/71/18/98/1026711898.db2.gz GLXPHHSZWZOUSH-IUCAKERBSA-N -1 0 310.310 -0.979 20 0 DBADRM Cc1cc(COCC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)no1 ZINC001574134523 1026712199 /nfs/dbraw/zinc/71/21/99/1026712199.db2.gz LWZRKZFMQGCELY-MWLCHTKSSA-N -1 0 313.310 -0.413 20 0 DBADRM Cc1cc(NC(=O)Cc2ccc(C(N)=O)nc2)n(CC(=O)[O-])n1 ZINC001574141368 1026712718 /nfs/dbraw/zinc/71/27/18/1026712718.db2.gz LHMJFUQBSAVVSP-UHFFFAOYSA-N -1 0 317.305 -0.049 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@]2(C)CCOC2=O)CCO1 ZINC001574141868 1026713129 /nfs/dbraw/zinc/71/31/29/1026713129.db2.gz QDNQGZGFDOJNNV-OLZOCXBDSA-N -1 0 316.310 -0.796 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCO[C@](C)(C(=O)[O-])C2)cnc1N ZINC001574144789 1026713291 /nfs/dbraw/zinc/71/32/91/1026713291.db2.gz RTHFYHBXERKXMU-LBPRGKRZSA-N -1 0 315.351 -0.164 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(N)nc2)C1 ZINC001574142460 1026713655 /nfs/dbraw/zinc/71/36/55/1026713655.db2.gz WGVRBTQABGWNIQ-LLVKDONJSA-N -1 0 316.339 -0.829 20 0 DBADRM CON(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)[C@H](C)C(=O)[O-] ZINC001574170897 1026717318 /nfs/dbraw/zinc/71/73/18/1026717318.db2.gz RLMPNNRAIZFBSG-HTQZYQBOSA-N -1 0 306.315 -0.265 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2ccc(OC)nn2)CCO1 ZINC001574145197 1026714479 /nfs/dbraw/zinc/71/44/79/1026714479.db2.gz FGQAQRXKKCPSAC-ZDUSSCGKSA-N -1 0 311.294 -0.573 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cc(C(N)=O)c[nH]2)CCO1 ZINC001574147639 1026714873 /nfs/dbraw/zinc/71/48/73/1026714873.db2.gz YRBOHAOEXDLAND-ZDUSSCGKSA-N -1 0 311.294 -0.944 20 0 DBADRM Cc1ccc(C(=O)N2CCC(C(=O)NCC(=O)[O-])CC2)nn1 ZINC001574149070 1026716347 /nfs/dbraw/zinc/71/63/47/1026716347.db2.gz JAYSHXDOAWEOBX-UHFFFAOYSA-N -1 0 306.322 -0.162 20 0 DBADRM COCC[C@H](NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)C(=O)OC ZINC001574149588 1026716406 /nfs/dbraw/zinc/71/64/06/1026716406.db2.gz GJKBNLPGBSBIEP-MXWKQRLJSA-N -1 0 317.338 -0.049 20 0 DBADRM Cc1cnc(CCNS(=O)(=O)c2n[nH]cc2C(=O)[O-])cn1 ZINC001574173557 1026717480 /nfs/dbraw/zinc/71/74/80/1026717480.db2.gz VQHKTRCLRVKFGE-UHFFFAOYSA-N -1 0 311.323 -0.273 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001574173753 1026717567 /nfs/dbraw/zinc/71/75/67/1026717567.db2.gz ZBGZYSSUBDCDNO-STQMWFEESA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1ccn2ncc(C(=O)N[C@@H]3CN(C(=O)[O-])C[C@@H]3CO)c2n1 ZINC001574172777 1026718090 /nfs/dbraw/zinc/71/80/90/1026718090.db2.gz LECGVHAXGLTBFL-MWLCHTKSSA-N -1 0 319.321 -0.262 20 0 DBADRM Cc1cncc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC001574179838 1026718256 /nfs/dbraw/zinc/71/82/56/1026718256.db2.gz KDNCTJWPLXRMSZ-RKDXNWHRSA-N -1 0 315.351 -0.354 20 0 DBADRM Cc1cnn(CC(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)c1 ZINC001574179870 1026718312 /nfs/dbraw/zinc/71/83/12/1026718312.db2.gz LJRRRNDLSBXYMW-STQMWFEESA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1cncn1CC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001574180902 1026719544 /nfs/dbraw/zinc/71/95/44/1026719544.db2.gz XLDWTYXXBRZQMB-STQMWFEESA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1nc(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)sc1C(=O)[O-] ZINC001574187172 1026719598 /nfs/dbraw/zinc/71/95/98/1026719598.db2.gz CIGWHXDFMBXQKN-NKWVEPMBSA-N -1 0 313.335 -0.201 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H](CO)[C@H]2CCOC2)c1C(=O)[O-] ZINC001574183011 1026719724 /nfs/dbraw/zinc/71/97/24/1026719724.db2.gz WKMTUEMQPILYEB-JGVFFNPUSA-N -1 0 319.339 -0.908 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H](CO)[C@H]2CCOC2)c1C(=O)[O-] ZINC001574183013 1026720281 /nfs/dbraw/zinc/72/02/81/1026720281.db2.gz WKMTUEMQPILYEB-YUMQZZPRSA-N -1 0 319.339 -0.908 20 0 DBADRM Cc1ncc(C(=O)[O-])cc1NC(=O)NC[C@H](O)Cn1ccnn1 ZINC001574192578 1026721375 /nfs/dbraw/zinc/72/13/75/1026721375.db2.gz UGYAQXDFPHMKNJ-JTQLQIEISA-N -1 0 320.309 -0.138 20 0 DBADRM Cc1nc(CCC(=O)[O-])cc(N2CCO[C@@H](CC(N)=O)C2)n1 ZINC001574188384 1026722609 /nfs/dbraw/zinc/72/26/09/1026722609.db2.gz QWSLXPZULLCERT-NSHDSACASA-N -1 0 308.338 -0.117 20 0 DBADRM Cc1noc(CCCC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001574197040 1026722726 /nfs/dbraw/zinc/72/27/26/1026722726.db2.gz GMNRHJHZLFNPQK-ZJUUUORDSA-N -1 0 312.326 -0.212 20 0 DBADRM COc1cc(OC)cc([C@@H](O)CNC(=O)[C@H](OC)C(=O)[O-])c1 ZINC001574188299 1026723189 /nfs/dbraw/zinc/72/31/89/1026723189.db2.gz VBAGBWOPDUXJRW-RYUDHWBXSA-N -1 0 313.306 -0.047 20 0 DBADRM Cc1nnc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)s1 ZINC001574198245 1026724149 /nfs/dbraw/zinc/72/41/49/1026724149.db2.gz PQRYTQPRVYZOLO-BQBZGAKWSA-N -1 0 301.328 -0.061 20 0 DBADRM Cc1nn(CCS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])c(=O)o1 ZINC001574200526 1026724503 /nfs/dbraw/zinc/72/45/03/1026724503.db2.gz NXCZQUKMTNYHOL-SECBINFHSA-N -1 0 319.339 -0.586 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)NCc1[nH]cnc1C(=O)[O-])CC2 ZINC001574198296 1026724645 /nfs/dbraw/zinc/72/46/45/1026724645.db2.gz RYSUAJFZAJWNGH-QMMMGPOBSA-N -1 0 304.310 -0.113 20 0 DBADRM Cc1nnc(N2CCN(C(=O)[O-])CC2)n1C[C@H]1COCCO1 ZINC001574199513 1026725029 /nfs/dbraw/zinc/72/50/29/1026725029.db2.gz CDAOGRPCINYAHJ-NSHDSACASA-N -1 0 311.342 -0.198 20 0 DBADRM Cc1nn(CC(=O)N2C3CCC(CC3)[C@H]2C(=O)[O-])c(=O)n1C ZINC001574198233 1026725066 /nfs/dbraw/zinc/72/50/66/1026725066.db2.gz NUPCOLCXVUOSFD-CBINBANVSA-N -1 0 308.338 -0.256 20 0 DBADRM Cn1cc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)[nH]c1=O ZINC001574211318 1026726080 /nfs/dbraw/zinc/72/60/80/1026726080.db2.gz FRGAJONSVZCZRR-ZJUUUORDSA-N -1 0 306.278 -0.563 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)NC3(CC(=O)[O-])COC3)C2)cn1 ZINC001574211747 1026726688 /nfs/dbraw/zinc/72/66/88/1026726688.db2.gz FIDNNFWLJYWWAJ-SNVBAGLBSA-N -1 0 308.294 -0.727 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)Nc1ncc(CC(=O)[O-])s1 ZINC001574208432 1026726557 /nfs/dbraw/zinc/72/65/57/1026726557.db2.gz FJNOMTOHTJRKFP-UHFFFAOYSA-N -1 0 312.311 -0.074 20 0 DBADRM CC1SC(C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)=NC1=O ZINC001574208240 1026727012 /nfs/dbraw/zinc/72/70/12/1026727012.db2.gz XISZPCLYWSBPIF-RQJHMYQMSA-N -1 0 301.324 -0.142 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001574207836 1026727108 /nfs/dbraw/zinc/72/71/08/1026727108.db2.gz CQXUYVSAGZQMPD-JGVFFNPUSA-N -1 0 319.339 -0.134 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)C1=NC(=O)C(C)S1)C(=O)[O-] ZINC001574208266 1026727244 /nfs/dbraw/zinc/72/72/44/1026727244.db2.gz YDQFOXLXDCVZSN-WHFBIAKZSA-N -1 0 301.324 -0.135 20 0 DBADRM Cn1cc([C@@H](CO)NS(=O)(=O)C2(C(=O)[O-])CCC2)cn1 ZINC001574212760 1026727877 /nfs/dbraw/zinc/72/78/77/1026727877.db2.gz QHLLLOBOFUVGGK-SECBINFHSA-N -1 0 303.340 -0.620 20 0 DBADRM Cn1cc(NC(=O)N[C@H](CO)CC2OCCO2)c(C(=O)[O-])c1 ZINC001574213573 1026728321 /nfs/dbraw/zinc/72/83/21/1026728321.db2.gz MNDLJIRCSKCYOE-QMMMGPOBSA-N -1 0 313.310 -0.031 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)cn1 ZINC001574212835 1026728849 /nfs/dbraw/zinc/72/88/49/1026728849.db2.gz UEDVAQDQQSNCSJ-SRVKXCTJSA-N -1 0 320.305 -0.849 20 0 DBADRM Cn1cc(CCNC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)cn1 ZINC001574212515 1026728866 /nfs/dbraw/zinc/72/88/66/1026728866.db2.gz OOQIDECIZVRKBZ-MNOVXSKESA-N -1 0 311.342 -0.768 20 0 DBADRM Cn1cc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)ccc1=O ZINC001574220005 1026729176 /nfs/dbraw/zinc/72/91/76/1026729176.db2.gz IWVHBTHNWYUTGO-SCZZXKLOSA-N -1 0 310.310 -0.523 20 0 DBADRM Cn1cc(NC(=O)N2CCO[C@](C)(C(=O)[O-])C2)c(C(N)=O)n1 ZINC001574213279 1026729289 /nfs/dbraw/zinc/72/92/89/1026729289.db2.gz GDCJMSQWJOTVFN-LBPRGKRZSA-N -1 0 311.298 -0.774 20 0 DBADRM Cn1cccc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccncc2)c1=O ZINC001574224955 1026730242 /nfs/dbraw/zinc/73/02/42/1026730242.db2.gz SUFOECYQPYGRKR-RYUDHWBXSA-N -1 0 317.301 -0.303 20 0 DBADRM Cn1cnc(NC(=O)N2C[C@@H](C(=O)[O-])C3(COC3)C2)cc1=O ZINC001574221893 1026730274 /nfs/dbraw/zinc/73/02/74/1026730274.db2.gz ZRSWQFVQGXOZSR-QMMMGPOBSA-N -1 0 308.294 -0.655 20 0 DBADRM Cn1cccc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccncc2)c1=O ZINC001574224954 1026730872 /nfs/dbraw/zinc/73/08/72/1026730872.db2.gz SUFOECYQPYGRKR-NWDGAFQWSA-N -1 0 317.301 -0.303 20 0 DBADRM Cn1cnc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccncc2)cc1=O ZINC001574221334 1026731023 /nfs/dbraw/zinc/73/10/23/1026731023.db2.gz OCMYCLNMVQSHMU-RYUDHWBXSA-N -1 0 318.289 -0.908 20 0 DBADRM Cn1ncc(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)c1-n1cnnc1 ZINC001574226285 1026731192 /nfs/dbraw/zinc/73/11/92/1026731192.db2.gz BOAUTFYPJNIFSC-SECBINFHSA-N -1 0 319.325 -0.127 20 0 DBADRM Cn1cc(NC(=O)NC[C@@H](O)CS(C)(=O)=O)cc1C(=O)[O-] ZINC001574221106 1026731856 /nfs/dbraw/zinc/73/18/56/1026731856.db2.gz WALXLRWXFWXCHX-MRVPVSSYSA-N -1 0 319.339 -0.750 20 0 DBADRM Cn1ncc(NC(=O)N2C[C@@H](C(=O)[O-])C3(COC3)C2)cc1=O ZINC001574229178 1026732290 /nfs/dbraw/zinc/73/22/90/1026732290.db2.gz VMZAEVOQEBXLGU-VIFPVBQESA-N -1 0 308.294 -0.655 20 0 DBADRM Cn1nccc1[C@@H](O)CNC(=O)CC1(C(=O)[O-])CCOCC1 ZINC001574228262 1026732328 /nfs/dbraw/zinc/73/23/28/1026732328.db2.gz IJCWAYUAPYTFCB-NSHDSACASA-N -1 0 311.338 -0.159 20 0 DBADRM Cn1nc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)ccc1=O ZINC001574226634 1026732859 /nfs/dbraw/zinc/73/28/59/1026732859.db2.gz NDLAGGDFASDTNC-NEPJUHHUSA-N -1 0 318.289 -0.908 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)C2CCN(C(=O)[O-])CC2)C1 ZINC001574229269 1026733503 /nfs/dbraw/zinc/73/35/03/1026733503.db2.gz XYWFAEAFNXZGDE-UHFFFAOYSA-N -1 0 309.326 -0.765 20 0 DBADRM Cn1ncc2c1nc(CN1C[C@@H](C(=O)[O-])C3(COC3)C1)[nH]c2=O ZINC001574228543 1026733568 /nfs/dbraw/zinc/73/35/68/1026733568.db2.gz LEPPKVUEKAAXRE-VIFPVBQESA-N -1 0 319.321 -0.398 20 0 DBADRM Cn1ncc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccncc2)c1N ZINC001574226499 1026733653 /nfs/dbraw/zinc/73/36/53/1026733653.db2.gz ICWJGKKGANEDCL-NXEZZACHSA-N -1 0 305.294 -0.686 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)N2CCC[C@H](NC(=O)[O-])C2)C1 ZINC001574248879 1026736546 /nfs/dbraw/zinc/73/65/46/1026736546.db2.gz MWCQPJZGQJPSBR-YUMQZZPRSA-N -1 0 313.314 -0.942 20 0 DBADRM NC(=O)[C@H](CNC(=O)[C@H](O)CC(=O)[O-])Cc1ccc(F)cc1 ZINC001574249515 1026737020 /nfs/dbraw/zinc/73/70/20/1026737020.db2.gz WUDFINWLJQHPLQ-GXSJLCMTSA-N -1 0 312.297 -0.579 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001574249226 1026737065 /nfs/dbraw/zinc/73/70/65/1026737065.db2.gz UHXMOWXAPXECFC-GUBZILKMSA-N -1 0 319.383 -0.427 20 0 DBADRM NC(=O)[C@H](NC(=O)[C@H]1CSCN1C(=O)[O-])c1ccccn1 ZINC001574249916 1026737583 /nfs/dbraw/zinc/73/75/83/1026737583.db2.gz ULVBUPRWHGJVBL-RKDXNWHRSA-N -1 0 310.335 -0.223 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cn1 ZINC001574249460 1026737633 /nfs/dbraw/zinc/73/76/33/1026737633.db2.gz XBEARASGRUOOOU-LBPRGKRZSA-N -1 0 314.319 -0.541 20 0 DBADRM NC(=O)CC1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001574248966 1026737738 /nfs/dbraw/zinc/73/77/38/1026737738.db2.gz OSVZPTLXJYMUKT-UHFFFAOYSA-N -1 0 319.383 -0.727 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)c1ccc2[nH]c(CO)nc2c1 ZINC001574254822 1026738602 /nfs/dbraw/zinc/73/86/02/1026738602.db2.gz IPOBKFFLRUORNS-UHFFFAOYSA-N -1 0 306.278 -0.933 20 0 DBADRM NC(=O)COc1cccc(C(=O)NC2(CC(=O)[O-])COC2)c1 ZINC001574254852 1026738954 /nfs/dbraw/zinc/73/89/54/1026738954.db2.gz JQBHJAGDVIESPV-UHFFFAOYSA-N -1 0 308.290 -0.476 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)CCc1ccc(C(N)=O)cc1 ZINC001574255122 1026739206 /nfs/dbraw/zinc/73/92/06/1026739206.db2.gz QZQIDBXQJYSCEY-UHFFFAOYSA-N -1 0 307.306 -0.883 20 0 DBADRM NC(=O)COC1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC001574254568 1026739590 /nfs/dbraw/zinc/73/95/90/1026739590.db2.gz CFLUHMUVFOKCHE-SECBINFHSA-N -1 0 317.367 -0.468 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)c1cncc(N2CCCC2)n1 ZINC001574254754 1026739813 /nfs/dbraw/zinc/73/98/13/1026739813.db2.gz GWKCFTWEAJPUCA-UHFFFAOYSA-N -1 0 307.310 -0.911 20 0 DBADRM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)[C@@H](O)CC(=O)[O-])C1 ZINC001574259655 1026742026 /nfs/dbraw/zinc/74/20/26/1026742026.db2.gz RTLPBIHYEVMECB-SKDRFNHKSA-N -1 0 321.333 -0.684 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)cc1 ZINC001574260198 1026742405 /nfs/dbraw/zinc/74/24/05/1026742405.db2.gz WGHVURBEHKKJLY-WDEREUQCSA-N -1 0 307.306 -0.514 20 0 DBADRM NC(=O)Cn1cc(C(=O)N(CC(=O)[O-])c2ccccc2F)nn1 ZINC001574256395 1026742610 /nfs/dbraw/zinc/74/26/10/1026742610.db2.gz DAIJGCCJXDUSJY-UHFFFAOYSA-N -1 0 321.268 -0.366 20 0 DBADRM NC(=O)c1ccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)cn1 ZINC001574259335 1026742696 /nfs/dbraw/zinc/74/26/96/1026742696.db2.gz MFNVORLODRLPGJ-VIFPVBQESA-N -1 0 306.322 -0.084 20 0 DBADRM C[C@@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)C(=O)[O-] ZINC001574259716 1026742944 /nfs/dbraw/zinc/74/29/44/1026742944.db2.gz RBGBYWAWTBAMQG-ZCFIWIBFSA-N -1 0 319.314 -0.526 20 0 DBADRM NC(=O)Cn1cc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)nn1 ZINC001574257442 1026743006 /nfs/dbraw/zinc/74/30/06/1026743006.db2.gz YRDCVFXGJJKGRH-GFCCVEGCSA-N -1 0 305.294 -0.616 20 0 DBADRM C[C@@H](NC(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1)C(=O)[O-] ZINC001574261395 1026743990 /nfs/dbraw/zinc/74/39/90/1026743990.db2.gz SMGVPVLXVDHYDI-MRVPVSSYSA-N -1 0 310.314 -0.497 20 0 DBADRM N=C1NC(=O)C(CC(=O)NC[C@@]2(C(=O)[O-])CCCOC2)S1 ZINC001574268771 1026744038 /nfs/dbraw/zinc/74/40/38/1026744038.db2.gz GMQQAZVYKCDUDJ-MADCSZMMSA-N -1 0 315.351 -0.460 20 0 DBADRM NC(=O)c1ncn(CC(=O)Nc2ccc(F)cc2C(=O)[O-])n1 ZINC001574263612 1026745702 /nfs/dbraw/zinc/74/57/02/1026745702.db2.gz YLNSBJQDKXTBBL-UHFFFAOYSA-N -1 0 307.241 -0.147 20 0 DBADRM NC1=CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NN2c2ccccc2)N1 ZINC001574269339 1026745771 /nfs/dbraw/zinc/74/57/71/1026745771.db2.gz WDRMFHVOZATHQZ-NSHDSACASA-N -1 0 301.306 -0.147 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)CC2(C(=O)[O-])CCOCC2)C1 ZINC001574279532 1026747002 /nfs/dbraw/zinc/74/70/02/1026747002.db2.gz DXGCANDVUWZJLH-SECBINFHSA-N -1 0 320.367 -0.853 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CCC1 ZINC001574281261 1026747834 /nfs/dbraw/zinc/74/78/34/1026747834.db2.gz ZMJJYYVLVSNNQQ-SECBINFHSA-N -1 0 317.367 -0.330 20 0 DBADRM NS(=O)(=O)NC1CCN(Cc2cnc(C(=O)[O-])s2)CC1 ZINC001574279424 1026747928 /nfs/dbraw/zinc/74/79/28/1026747928.db2.gz CELWRNVSNMOOTG-UHFFFAOYSA-N -1 0 320.396 -0.401 20 0 DBADRM NS(=O)(=O)c1ccc(SCC(=O)NCC(=O)[O-])cc1 ZINC001574279715 1026747985 /nfs/dbraw/zinc/74/79/85/1026747985.db2.gz FXCPDSIGHBOXOL-UHFFFAOYSA-N -1 0 304.349 -0.373 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)c2cnc(C(=O)[O-])s2)C1 ZINC001574281118 1026747998 /nfs/dbraw/zinc/74/79/98/1026747998.db2.gz XBRVDODOIVUTPE-ZCFIWIBFSA-N -1 0 319.364 -0.408 20 0 DBADRM CC(C)NC(=O)[C@@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001574290055 1026749505 /nfs/dbraw/zinc/74/95/05/1026749505.db2.gz FXIUJFDCPQLYMG-SFYZADRCSA-N -1 0 321.345 -0.952 20 0 DBADRM Nc1n[nH]c(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[O-])n1 ZINC001574292232 1026749648 /nfs/dbraw/zinc/74/96/48/1026749648.db2.gz XUUBVPGXQMRWAH-JTQLQIEISA-N -1 0 318.337 -0.076 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)C[C@@H]2C=CS(=O)(=O)C2)C1 ZINC001574293077 1026750007 /nfs/dbraw/zinc/75/00/07/1026750007.db2.gz SPHOWCKORDPFKS-IVZWLZJFSA-N -1 0 318.351 -0.978 20 0 DBADRM C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1cnccn1 ZINC001574289278 1026750055 /nfs/dbraw/zinc/75/00/55/1026750055.db2.gz HPJILMGNEAGNGA-WPRPVWTQSA-N -1 0 300.340 -0.079 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)N[C@H](C(=O)[O-])C2CC2)c1 ZINC001574291447 1026750133 /nfs/dbraw/zinc/75/01/33/1026750133.db2.gz HPEIWTJQBXIUCV-JTQLQIEISA-N -1 0 302.294 -0.332 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)c1 ZINC001574291843 1026750526 /nfs/dbraw/zinc/75/05/26/1026750526.db2.gz OWJYSOCWXXPJGN-JTQLQIEISA-N -1 0 314.305 -0.022 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)N(CC(=O)[O-])C2CC2)c1 ZINC001574291604 1026750638 /nfs/dbraw/zinc/75/06/38/1026750638.db2.gz KRXPGNSRLBHSTC-UHFFFAOYSA-N -1 0 302.294 -0.236 20 0 DBADRM Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001574292286 1026750648 /nfs/dbraw/zinc/75/06/48/1026750648.db2.gz ZCTKWKQNCGHEIJ-HTQZYQBOSA-N -1 0 307.310 -0.866 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)NC1(CC(=O)[O-])COC1 ZINC001574291395 1026750800 /nfs/dbraw/zinc/75/08/00/1026750800.db2.gz GYIDWHBLWPBSER-UHFFFAOYSA-N -1 0 321.742 -0.161 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CNC(=O)C1CC1)[C@H](O)c1cccnc1 ZINC001574300115 1026752083 /nfs/dbraw/zinc/75/20/83/1026752083.db2.gz BCEQCJWVIAHIOX-NWDGAFQWSA-N -1 0 307.306 -0.789 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCSc1ncnc2[nH]cnc21 ZINC001574299692 1026752147 /nfs/dbraw/zinc/75/21/47/1026752147.db2.gz PTNGKAOSHOLZAZ-ZCFIWIBFSA-N -1 0 311.323 -0.603 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCn1ccnc1)[C@@H](O)c1cccnc1 ZINC001574299505 1026752195 /nfs/dbraw/zinc/75/21/95/1026752195.db2.gz LWMCDXGSHYXOOR-OLZOCXBDSA-N -1 0 304.306 -0.029 20 0 DBADRM O=C([O-])c1cc(CNC(=O)CN2CCCS2(=O)=O)on1 ZINC001574299885 1026753506 /nfs/dbraw/zinc/75/35/06/1026753506.db2.gz VJUCUWWICABUBZ-UHFFFAOYSA-N -1 0 303.296 -0.976 20 0 DBADRM CC(C)OC(=O)[C@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001574297109 1026754078 /nfs/dbraw/zinc/75/40/78/1026754078.db2.gz PVGIWZFBYXSUHA-JGVFFNPUSA-N -1 0 322.329 -0.525 20 0 DBADRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)Cc1nc2ncccn2n1 ZINC001574301894 1026754494 /nfs/dbraw/zinc/75/44/94/1026754494.db2.gz MLSFUKOEQAOWFT-VHSXEESVSA-N -1 0 319.321 -0.195 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)COCc2ccncc2)C1 ZINC001574302508 1026755185 /nfs/dbraw/zinc/75/51/85/1026755185.db2.gz JMQDCWZNKKTFCL-NWDGAFQWSA-N -1 0 309.322 -0.315 20 0 DBADRM O=C(CNS(=O)(=O)C1(C(=O)[O-])CCC1)NC1CCCC1 ZINC001574300524 1026755226 /nfs/dbraw/zinc/75/52/26/1026755226.db2.gz NTCYTTNRCZRPOC-UHFFFAOYSA-N -1 0 304.368 -0.028 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CO[C@@H]1CCOC1)[C@@H](O)c1cccnc1 ZINC001574300489 1026756052 /nfs/dbraw/zinc/75/60/52/1026756052.db2.gz MSCROANVVXSTPN-WXHSDQCUSA-N -1 0 310.306 -0.510 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1cnncc1O)[C@@H](O)c1cccnc1 ZINC001574309711 1026756639 /nfs/dbraw/zinc/75/66/39/1026756639.db2.gz ZJIAIFSYUZLZTP-MNOVXSKESA-N -1 0 304.262 -0.506 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1cc2n(n1)CCO2)[C@H](O)c1ccncc1 ZINC001574308887 1026756680 /nfs/dbraw/zinc/75/66/80/1026756680.db2.gz PYHJHSWXYPPPLJ-VXGBXAGGSA-N -1 0 318.289 -0.413 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1ccc(=O)[nH]n1)[C@H](O)c1cccnc1 ZINC001574308831 1026756885 /nfs/dbraw/zinc/75/68/85/1026756885.db2.gz PFKNGRSMPQHCHH-WDEREUQCSA-N -1 0 304.262 -0.506 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1ccc2nnnn2c1 ZINC001574309493 1026757321 /nfs/dbraw/zinc/75/73/21/1026757321.db2.gz XBTIVJLVIQHGQS-ZJUUUORDSA-N -1 0 305.294 -0.124 20 0 DBADRM O=C([O-])N1CCC[C@@H](C(=O)N[C@H](CO)CC2OCCO2)C1 ZINC001574309895 1026757556 /nfs/dbraw/zinc/75/75/56/1026757556.db2.gz HCVFOYZXNZMBTD-ZJUUUORDSA-N -1 0 302.327 -0.384 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1ccnc2n[nH]nc21)C1CCOCC1 ZINC001574308646 1026757679 /nfs/dbraw/zinc/75/76/79/1026757679.db2.gz NDIWEYWASVWIFU-VIFPVBQESA-N -1 0 305.294 -0.038 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001574311514 1026758752 /nfs/dbraw/zinc/75/87/52/1026758752.db2.gz JJMURVVSWAYZAJ-IRUJWGPZSA-N -1 0 320.349 -0.332 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001574312140 1026758909 /nfs/dbraw/zinc/75/89/09/1026758909.db2.gz UURVCVJFJFAKPR-LDYMZIIASA-N -1 0 308.338 -0.011 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2cn3cccnc3n2)C1 ZINC001574312157 1026759163 /nfs/dbraw/zinc/75/91/63/1026759163.db2.gz VHNJYHHGOLOAGU-RKDXNWHRSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2ncc(Cl)cn2)[C@@H](CO)C1 ZINC001574311770 1026759385 /nfs/dbraw/zinc/75/93/85/1026759385.db2.gz PMDOLHIVEGRWAN-SVRRBLITSA-N -1 0 300.702 -0.170 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2cnc3nccnc3c2)C1 ZINC001574312235 1026759501 /nfs/dbraw/zinc/75/95/01/1026759501.db2.gz YBIZPFKPWMMKCL-ONGXEEELSA-N -1 0 317.305 -0.275 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2ncc(Cl)cn2)C1 ZINC001574311771 1026759763 /nfs/dbraw/zinc/75/97/63/1026759763.db2.gz PMDOLHIVEGRWAN-XPUUQOCRSA-N -1 0 300.702 -0.170 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001574312193 1026759849 /nfs/dbraw/zinc/75/98/49/1026759849.db2.gz XBYNTCMWLDTTOA-PTOFAABTSA-N -1 0 308.338 -0.399 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)NCCC2(O)CCC2)C1 ZINC001574319481 1026761515 /nfs/dbraw/zinc/76/15/15/1026761515.db2.gz MADRLBURQQHEPQ-VHSXEESVSA-N -1 0 301.343 -0.439 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)N2CCS(=O)(=O)CC2)CCCOC1 ZINC001574322437 1026762015 /nfs/dbraw/zinc/76/20/15/1026762015.db2.gz QOHRLUCEFMPNBJ-LBPRGKRZSA-N -1 0 320.367 -0.692 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)CCC1 ZINC001574322121 1026762218 /nfs/dbraw/zinc/76/22/18/1026762218.db2.gz LQEIGLJUYCLTFX-GHMZBOCLSA-N -1 0 320.349 -0.213 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)Nc2ccn(CCF)n2)C1 ZINC001574341786 1026763602 /nfs/dbraw/zinc/76/36/02/1026763602.db2.gz OLZTWSUPNJVYHJ-IUCAKERBSA-N -1 0 315.305 -0.055 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)Nc1ccc(=O)n(CCO)c1 ZINC001574339292 1026763648 /nfs/dbraw/zinc/76/36/48/1026763648.db2.gz PIAMIMBUUWPGSN-VIFPVBQESA-N -1 0 313.335 -0.168 20 0 DBADRM O=C([O-])c1nc2ccccn2c1NC(=O)N[C@@H]1COC[C@@H]1O ZINC001574338782 1026764672 /nfs/dbraw/zinc/76/46/72/1026764672.db2.gz PXSLFPPHTPUVDZ-SFYZADRCSA-N -1 0 306.278 -0.086 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1c[nH]c2ncc(Cl)cc12 ZINC001574347116 1026765608 /nfs/dbraw/zinc/76/56/08/1026765608.db2.gz WHNNYKVOCFINLG-ZETCQYMHSA-N -1 0 319.726 -0.060 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)Nc2cnc3ccnn3c2)[C@@H](CO)C1 ZINC001574345613 1026766136 /nfs/dbraw/zinc/76/61/36/1026766136.db2.gz LSTAFXXKJZJDSZ-SCZZXKLOSA-N -1 0 320.309 -0.179 20 0 DBADRM O=C([O-])C[C@@H](CO)NC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC001574356474 1026768251 /nfs/dbraw/zinc/76/82/51/1026768251.db2.gz HIULMDSJAINZNH-JTQLQIEISA-N -1 0 309.322 -0.184 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3n[nH]c(=O)n3c2)CC12COC2 ZINC001574355811 1026768430 /nfs/dbraw/zinc/76/84/30/1026768430.db2.gz NORSEQOCMRXTMZ-SECBINFHSA-N -1 0 318.289 -0.392 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)CNC(=O)COc1ccccc1 ZINC001574357645 1026768624 /nfs/dbraw/zinc/76/86/24/1026768624.db2.gz QVVMLLUQLDVTDN-SNVBAGLBSA-N -1 0 310.306 -0.867 20 0 DBADRM O=C([O-])CC1(NC(=O)C[C@H]2CCS(=O)(=O)C2)CCOCC1 ZINC001574365038 1026770255 /nfs/dbraw/zinc/77/02/55/1026770255.db2.gz LXMPWYLHVIRLJI-SNVBAGLBSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC001574363369 1026770401 /nfs/dbraw/zinc/77/04/01/1026770401.db2.gz PFUGPXQXBIHVEI-WPRPVWTQSA-N -1 0 313.331 -0.491 20 0 DBADRM O=C([O-])CC1(NS(=O)(=O)c2cnn3ccccc23)COC1 ZINC001574364999 1026770674 /nfs/dbraw/zinc/77/06/74/1026770674.db2.gz LKQKJLHURQWBJV-UHFFFAOYSA-N -1 0 311.319 -0.144 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)Nc1cccc(CN2CCOCC2)n1 ZINC001574364630 1026770819 /nfs/dbraw/zinc/77/08/19/1026770819.db2.gz GCQNGUVCDFDWGP-LLVKDONJSA-N -1 0 309.322 -0.312 20 0 DBADRM O=C([O-])CC1(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 ZINC001574364323 1026771276 /nfs/dbraw/zinc/77/12/76/1026771276.db2.gz CBMAGWODSYBPMH-MRVPVSSYSA-N -1 0 311.381 -0.652 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001574361756 1026771521 /nfs/dbraw/zinc/77/15/21/1026771521.db2.gz IOMUODNSPAKJPQ-PWSUYJOCSA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])CC1(S(=O)(=O)NCC(=O)NCC(F)F)CC1 ZINC001574364234 1026771589 /nfs/dbraw/zinc/77/15/89/1026771589.db2.gz ABYLSOXBLSHJHM-UHFFFAOYSA-N -1 0 300.283 -0.706 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC001574361770 1026771640 /nfs/dbraw/zinc/77/16/40/1026771640.db2.gz IVNIJXVADHEHDW-UTUOFQBUSA-N -1 0 300.355 -0.418 20 0 DBADRM O=C([O-])CC1(NC(=O)c2ccc(-c3nn[nH]n3)cn2)COC1 ZINC001574365379 1026772593 /nfs/dbraw/zinc/77/25/93/1026772593.db2.gz WSTLZMLSGAZOQV-UHFFFAOYSA-N -1 0 304.266 -0.765 20 0 DBADRM O=C([O-])CCS(=O)(=O)N1CCC([C@@H]2COC(=O)N2)CC1 ZINC001574368540 1026773071 /nfs/dbraw/zinc/77/30/71/1026773071.db2.gz TYJMEOLXERTQCA-VIFPVBQESA-N -1 0 306.340 -0.389 20 0 DBADRM O=C([O-])CC1(NC(=O)c2cccc(Nc3nn[nH]n3)c2)COC1 ZINC001574365224 1026773446 /nfs/dbraw/zinc/77/34/46/1026773446.db2.gz QZOPOZNCTIOLFE-UHFFFAOYSA-N -1 0 318.293 -0.083 20 0 DBADRM O=C([O-])CCS(=O)(=O)NCc1nc([C@@H]2CCOC2)n[nH]1 ZINC001574368571 1026773784 /nfs/dbraw/zinc/77/37/84/1026773784.db2.gz VHSRDQSYNMJHIO-SSDOTTSWSA-N -1 0 304.328 -0.797 20 0 DBADRM O=C([O-])N1CC[C@H](NS(=O)(=O)c2c[nH]c3ncncc23)C1 ZINC001574376278 1026774693 /nfs/dbraw/zinc/77/46/93/1026774693.db2.gz AUKPUBASSUONGM-ZETCQYMHSA-N -1 0 311.323 -0.060 20 0 DBADRM O=C([O-])Cn1cccc(NC(=O)N2CC[C@@H](O)[C@H](F)C2)c1=O ZINC001574375323 1026774747 /nfs/dbraw/zinc/77/47/47/1026774747.db2.gz KYCSUTXDOKTSKY-PSASIEDQSA-N -1 0 313.285 -0.131 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)[C@@]2(F)CCS(=O)(=O)C2)n1 ZINC001574375376 1026775425 /nfs/dbraw/zinc/77/54/25/1026775425.db2.gz MKZPWLUXNPGTSB-SNVBAGLBSA-N -1 0 305.287 -0.567 20 0 DBADRM O=C([O-])N1C[C@H](NS(=O)(=O)C[C@@H]2CCCO2)[C@@H](CO)C1 ZINC001574376620 1026775449 /nfs/dbraw/zinc/77/54/49/1026775449.db2.gz HAHOQNOOXMYJRT-UTLUCORTSA-N -1 0 308.356 -0.945 20 0 DBADRM O=C([O-])N1C[C@H](NS(=O)(=O)Cc2ccno2)[C@@H](CO)C1 ZINC001574377113 1026775610 /nfs/dbraw/zinc/77/56/10/1026775610.db2.gz MVAHASIXVVVLOU-APPZFPTMSA-N -1 0 305.312 -0.935 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)n1 ZINC001574375219 1026775948 /nfs/dbraw/zinc/77/59/48/1026775948.db2.gz INTNHQHOEFOELE-HLTSFMKQSA-N -1 0 311.298 -0.712 20 0 DBADRM O=C([O-])Nc1scnc1C(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC001574385057 1026776559 /nfs/dbraw/zinc/77/65/59/1026776559.db2.gz UHAUWFWCKFCZLL-BQBZGAKWSA-N -1 0 301.324 -0.094 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574393354 1026776882 /nfs/dbraw/zinc/77/68/82/1026776882.db2.gz JXXBKBMAGMIYPY-PSASIEDQSA-N -1 0 320.357 -0.988 20 0 DBADRM O=C([O-])N[C@H]1CCCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001574380628 1026776952 /nfs/dbraw/zinc/77/69/52/1026776952.db2.gz BDVVWYOQUTWZGP-VIFPVBQESA-N -1 0 320.309 -0.850 20 0 DBADRM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1cnn(C[C@H](O)CO)c1 ZINC001574398341 1026777432 /nfs/dbraw/zinc/77/74/32/1026777432.db2.gz DEZJAIKTLOOKPO-IELRGYKMSA-N -1 0 309.322 -0.686 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001574393910 1026778509 /nfs/dbraw/zinc/77/85/09/1026778509.db2.gz IKVKKOUFVJFFIN-KBVBSXBZSA-N -1 0 303.336 -0.877 20 0 DBADRM O=C([O-])c1nc[nH]c1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001574405653 1026779833 /nfs/dbraw/zinc/77/98/33/1026779833.db2.gz JQZHHAPECLKRHX-ZETCQYMHSA-N -1 0 318.293 -0.500 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=NN(CCO)C(=O)CC3)C[C@@H]21 ZINC001574403167 1026780509 /nfs/dbraw/zinc/78/05/09/1026780509.db2.gz MCHBOKFMCGBTRD-VDDIYKPWSA-N -1 0 309.322 -0.864 20 0 DBADRM Cc1ccnc(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001574407054 1026780750 /nfs/dbraw/zinc/78/07/50/1026780750.db2.gz CBVXEDFGIZUQTK-SNVBAGLBSA-N -1 0 306.322 -0.276 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2C[C@H](O)[C@H](CO)C2)c(Cl)c1 ZINC001574417568 1026781928 /nfs/dbraw/zinc/78/19/28/1026781928.db2.gz MVZWGKWYOILHPH-CBAPKCEASA-N -1 0 300.698 -0.142 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCO[C@H](C(F)F)C1 ZINC001574418072 1026782176 /nfs/dbraw/zinc/78/21/76/1026782176.db2.gz ULLXYMJZXVZPBP-LURJTMIESA-N -1 0 311.266 -0.238 20 0 DBADRM O=C([O-])c1cnn2ccc(NC(=O)N(CCO)CCO)cc12 ZINC001574422382 1026782816 /nfs/dbraw/zinc/78/28/16/1026782816.db2.gz ACOXRUPVGNOOHC-UHFFFAOYSA-N -1 0 308.294 -0.149 20 0 DBADRM O=C([O-])c1cnn2cc(CN3CCS(=O)(=O)CC3)cnc12 ZINC001574423307 1026783430 /nfs/dbraw/zinc/78/34/30/1026783430.db2.gz UCUJTDJWCJBNIZ-UHFFFAOYSA-N -1 0 310.335 -0.342 20 0 DBADRM O=C([O-])c1cnn2cc(CNCC(=O)N3CCOCC3)cnc12 ZINC001574422990 1026783611 /nfs/dbraw/zinc/78/36/11/1026783611.db2.gz OQKOGTDWLAXLNK-UHFFFAOYSA-N -1 0 319.321 -0.624 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@@H]1CCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001574423126 1026783762 /nfs/dbraw/zinc/78/37/62/1026783762.db2.gz IWCYUJQWGBSZKA-ZETCQYMHSA-N -1 0 304.266 -0.024 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCC1CC2(C1)OCCO2 ZINC001574416937 1026783779 /nfs/dbraw/zinc/78/37/79/1026783779.db2.gz DFBFMZIBLZQUSS-UHFFFAOYSA-N -1 0 317.323 -0.461 20 0 DBADRM O=C([O-])c1cccc2[nH]c(NC(=O)CN3CCNC(=O)C3)nc21 ZINC001574430652 1026784519 /nfs/dbraw/zinc/78/45/19/1026784519.db2.gz KFCRJPVOMAKCNW-UHFFFAOYSA-N -1 0 317.305 -0.369 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1 ZINC001574430445 1026784717 /nfs/dbraw/zinc/78/47/17/1026784717.db2.gz GFVIJISQODOCLZ-SECBINFHSA-N -1 0 317.301 -0.085 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@H]1CCCC(=O)N1)[C@H](O)c1ccncc1 ZINC001574430915 1026784876 /nfs/dbraw/zinc/78/48/76/1026784876.db2.gz ONMJNWFCDVUGAH-DDTOSNHZSA-N -1 0 321.333 -0.257 20 0 DBADRM O=C([O-])c1nccc(N2CCC3(CC2)C[C@H](O)CNC3=O)n1 ZINC001574423573 1026784897 /nfs/dbraw/zinc/78/48/97/1026784897.db2.gz SWQWNDNSZXFEJN-VIFPVBQESA-N -1 0 306.322 -0.358 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@@H]1CCCN1C(=O)c1cn[nH]c(=O)c1 ZINC001574423550 1026786096 /nfs/dbraw/zinc/78/60/96/1026786096.db2.gz SHJMEJFIDFWVPP-ZETCQYMHSA-N -1 0 304.266 -0.024 20 0 DBADRM O=C([O-])c1cnn2c1nccc2C(=O)N1CC2(C1)CNC(=O)O2 ZINC001574434749 1026786810 /nfs/dbraw/zinc/78/68/10/1026786810.db2.gz FPCODXQZTZMZSI-UHFFFAOYSA-N -1 0 317.261 -0.638 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCNC(=O)CC1)[C@@H](O)c1cccnc1 ZINC001574431132 1026787615 /nfs/dbraw/zinc/78/76/15/1026787615.db2.gz TXUBOFKXYFXHDH-XDTLVQLUSA-N -1 0 321.333 -0.399 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)[C@H](O)c1ccncc1 ZINC001574431138 1026787649 /nfs/dbraw/zinc/78/76/49/1026787649.db2.gz UGERVPLCUBUBKM-ADEWGFFLSA-N -1 0 307.306 -0.789 20 0 DBADRM Cc1noc(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)n1 ZINC001574443799 1026789913 /nfs/dbraw/zinc/78/99/13/1026789913.db2.gz RPUDLGWRVRLVTJ-UHFFFAOYSA-N -1 0 317.323 -0.726 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC001574466092 1026791601 /nfs/dbraw/zinc/79/16/01/1026791601.db2.gz TVKJOECWXZBNCX-QMMMGPOBSA-N -1 0 315.351 -0.185 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@H]3CC(C(=O)[O-])=NO3)CC2)cn1 ZINC001574458229 1026791894 /nfs/dbraw/zinc/79/18/94/1026791894.db2.gz NWIZJFVTZLRJJH-LLVKDONJSA-N -1 0 307.310 -0.702 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001574511106 1026792333 /nfs/dbraw/zinc/79/23/33/1026792333.db2.gz RVMORQJSJAZIBJ-XYPYZODXSA-N -1 0 312.370 -0.687 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)C1 ZINC001574500500 1026792681 /nfs/dbraw/zinc/79/26/81/1026792681.db2.gz VNCVXFXKKRSZQR-SFYZADRCSA-N -1 0 322.321 -0.048 20 0 DBADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)NN1CCS(=O)(=O)CC1 ZINC001574513988 1026792792 /nfs/dbraw/zinc/79/27/92/1026792792.db2.gz QHUWCNDEHQANOR-DUXPYHPUSA-N -1 0 314.319 -0.247 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001574507551 1026792859 /nfs/dbraw/zinc/79/28/59/1026792859.db2.gz NVCOMBWEVPWPQY-MRVPVSSYSA-N -1 0 313.335 -0.470 20 0 DBADRM Nc1nc(C2CC2)ncc1C(=O)NCCOCCOCC(=O)[O-] ZINC001574506351 1026793844 /nfs/dbraw/zinc/79/38/44/1026793844.db2.gz IOEMQYICWHNHEL-UHFFFAOYSA-N -1 0 324.337 -0.216 20 0 DBADRM O=C([O-])c1ccc(/C=C\C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)o1 ZINC001574514283 1026793926 /nfs/dbraw/zinc/79/39/26/1026793926.db2.gz ZEVSGJKODJJVJN-HWTYGCMBSA-N -1 0 315.303 -0.735 20 0 DBADRM CNC(=O)NCCC(=O)N[C@@H](CC(=O)[O-])C(=O)OC(C)(C)C ZINC001574564033 1026794430 /nfs/dbraw/zinc/79/44/30/1026794430.db2.gz KJTHILPIDGLDAB-QMMMGPOBSA-N -1 0 317.342 -0.393 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)N[C@H]1CCNC1=O)O2 ZINC001574564409 1026794451 /nfs/dbraw/zinc/79/44/51/1026794451.db2.gz HPWXINCKNLKIIS-HDCINBLHSA-N -1 0 311.338 -0.414 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCC(=O)NCc2cccnc2)[nH]n1 ZINC001574521955 1026794464 /nfs/dbraw/zinc/79/44/64/1026794464.db2.gz PDJUAWMPGPMOBY-UHFFFAOYSA-N -1 0 317.305 -0.061 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001574571636 1026795174 /nfs/dbraw/zinc/79/51/74/1026795174.db2.gz WVRIREKRCYDHAK-JBDRJPRFSA-N -1 0 315.326 -0.785 20 0 DBADRM CN1C(=O)CN(CC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC001574558921 1026795480 /nfs/dbraw/zinc/79/54/80/1026795480.db2.gz PEXCOMCRCUQEMF-LLVKDONJSA-N -1 0 319.317 -0.135 20 0 DBADRM O=C(CO[C@H]1CCOC1)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001574531480 1026795688 /nfs/dbraw/zinc/79/56/88/1026795688.db2.gz LSVQZKMJGNKQNS-QMMMGPOBSA-N -1 0 311.294 -0.145 20 0 DBADRM O=C(NCC1(O)CCS(=O)(=O)CC1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001574564686 1026795994 /nfs/dbraw/zinc/79/59/94/1026795994.db2.gz LPFGTHBDOQLAFQ-DTORHVGOSA-N -1 0 320.367 -0.912 20 0 DBADRM CS(=O)(=O)c1ccc(/C=C\C(=O)N[C@H](CO)C(=O)[O-])o1 ZINC001574651478 1026799144 /nfs/dbraw/zinc/79/91/44/1026799144.db2.gz QYVKGPVEQXTJGZ-DLRBJTRDSA-N -1 0 303.292 -0.742 20 0 DBADRM C[C@H](O)[C@H](NC(=O)[C@]1(C)Oc2ccccc2NC1=O)C(=O)[O-] ZINC001574661995 1026799280 /nfs/dbraw/zinc/79/92/80/1026799280.db2.gz FPIFANBGKVLROK-MRCLBUSBSA-N -1 0 308.290 -0.274 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)C1 ZINC001574644199 1026799705 /nfs/dbraw/zinc/79/97/05/1026799705.db2.gz POFUPYAZAPWDIM-DRZSPHRISA-N -1 0 322.317 -0.183 20 0 DBADRM C[C@H](O)[C@H](NS(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1)C(=O)[O-] ZINC001574662022 1026800294 /nfs/dbraw/zinc/80/02/94/1026800294.db2.gz HMWSICFTOAGOQL-IANFPDNMSA-N -1 0 307.368 -0.303 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC001574644407 1026800424 /nfs/dbraw/zinc/80/04/24/1026800424.db2.gz UUTSQRBWWGZVLE-ZJUUUORDSA-N -1 0 324.314 -0.139 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)C1 ZINC001574644201 1026800522 /nfs/dbraw/zinc/80/05/22/1026800522.db2.gz POFUPYAZAPWDIM-UHTWSYAYSA-N -1 0 322.317 -0.183 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC12CCOCC2 ZINC001574669146 1026802558 /nfs/dbraw/zinc/80/25/58/1026802558.db2.gz QKTWSUPKOGOQRY-ZJUUUORDSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCC[C@H]2c2nc[nH]n2)C1=O ZINC001574720142 1026803262 /nfs/dbraw/zinc/80/32/62/1026803262.db2.gz SFFREQDDSKRREW-ZJUUUORDSA-N -1 0 321.337 -0.209 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NS(=O)(=O)[C@@H]2CCOC2)C1=O ZINC001574723191 1026803365 /nfs/dbraw/zinc/80/33/65/1026803365.db2.gz AZFJDFCRYWMRLN-ZJUUUORDSA-N -1 0 320.367 -0.840 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1CCNC(=O)[C@@H]1C)C(=O)[O-] ZINC000424493226 282078872 /nfs/dbraw/zinc/07/88/72/282078872.db2.gz NTBKICATDFXYNZ-VIFPVBQESA-N -1 0 313.354 -0.660 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1CCn2ncnc2C1)C(=O)[O-] ZINC000424514271 282079901 /nfs/dbraw/zinc/07/99/01/282079901.db2.gz ZHQWDDKTNXVMEU-UHFFFAOYSA-N -1 0 323.353 -0.373 20 0 DBADRM CN(C)c1nc(N)nc(CS(=O)(=O)c2n[nH]c(C3CC3)n2)n1 ZINC000357959441 412489649 /nfs/dbraw/zinc/48/96/49/412489649.db2.gz MRESUSMGHHHCGO-UHFFFAOYSA-N -1 0 324.370 -0.511 20 0 DBADRM COCc1nc(=NC(=O)c2nc(N)nc(N(C)C)n2)s[n-]1 ZINC000553222575 412492942 /nfs/dbraw/zinc/49/29/42/412492942.db2.gz ADVHJVHCPPJLSI-UHFFFAOYSA-N -1 0 310.343 -0.808 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2c(C)onc2N)[C@@](C)(C(=O)[O-])C1 ZINC000629308865 412507595 /nfs/dbraw/zinc/50/75/95/412507595.db2.gz XDLHDWXELYUNTB-WRWORJQWSA-N -1 0 319.339 -0.182 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2c(C)onc2N)[C@@](C)(C(=O)[O-])C1 ZINC000629308863 412509498 /nfs/dbraw/zinc/50/94/98/412509498.db2.gz XDLHDWXELYUNTB-RDDDGLTNSA-N -1 0 319.339 -0.182 20 0 DBADRM COc1c(C[N-]S(=O)(=O)c2c(C)onc2N)c(C)nn1C ZINC000349497553 412510226 /nfs/dbraw/zinc/51/02/26/412510226.db2.gz LQOHFEBNSVNXLS-UHFFFAOYSA-N -1 0 315.355 0.094 20 0 DBADRM CNC(=O)c1cccc(OCC(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000447635448 529950924 /nfs/dbraw/zinc/95/09/24/529950924.db2.gz CNVKEKCBLFQRNT-UHFFFAOYSA-N -1 0 320.305 -0.540 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C(=O)[O-] ZINC000573093510 412527286 /nfs/dbraw/zinc/52/72/86/412527286.db2.gz GLIBEIDYIBXOPL-SHYZEUOFSA-N -1 0 319.339 -0.184 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)C1CCC(=O)CC1 ZINC000408479918 412527123 /nfs/dbraw/zinc/52/71/23/412527123.db2.gz UYHQMDCXRDBMLJ-UHFFFAOYSA-N -1 0 301.324 0.129 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)/C=C/c1ccncn1 ZINC000493161543 412527940 /nfs/dbraw/zinc/52/79/40/412527940.db2.gz IOVLARRQGHGJRO-NSCUHMNNSA-N -1 0 309.307 -0.126 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@H]1C(=O)[O-] ZINC000573093505 412528159 /nfs/dbraw/zinc/52/81/59/412528159.db2.gz GLIBEIDYIBXOPL-BBVRLYRLSA-N -1 0 319.339 -0.184 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000408093845 412528232 /nfs/dbraw/zinc/52/82/32/412528232.db2.gz DRLKGXKIHXBNEB-SSDOTTSWSA-N -1 0 316.339 -0.761 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H]1C[C@]12CCOC2 ZINC000408478736 412527793 /nfs/dbraw/zinc/52/77/93/412527793.db2.gz RXBSFSMAVHJFDU-HQJQHLMTSA-N -1 0 301.324 -0.203 20 0 DBADRM CCCC(=O)N1CCC[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])C1 ZINC000262437157 282584413 /nfs/dbraw/zinc/58/44/13/282584413.db2.gz UBQPWVJTIQPCFB-IINYFYTJSA-N -1 0 300.355 -0.023 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000420590161 304048981 /nfs/dbraw/zinc/04/89/81/304048981.db2.gz JTNBOQVENMJHTC-VHSXEESVSA-N -1 0 311.338 -0.763 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000420540314 304054124 /nfs/dbraw/zinc/05/41/24/304054124.db2.gz VZIROVFHJYTVQR-VIFPVBQESA-N -1 0 308.290 -0.467 20 0 DBADRM O=C(CN1CCCCC1=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000276599254 138096085 /nfs/dbraw/zinc/09/60/85/138096085.db2.gz LGYFBNKNYGZDCT-UHFFFAOYSA-N -1 0 316.321 -0.093 20 0 DBADRM CN(CC(=O)[N-]OC[C@@H]1CCOC1)c1ncnc2nc[nH]c21 ZINC000276527572 138096366 /nfs/dbraw/zinc/09/63/66/138096366.db2.gz YKHKWMBIZWCLSZ-SECBINFHSA-N -1 0 306.326 -0.127 20 0 DBADRM COCCS(=O)(=O)[N-]c1c(C(=O)OC)c[nH]c1C(=O)OC ZINC000276624395 138096540 /nfs/dbraw/zinc/09/65/40/138096540.db2.gz VEWKABZPIMOGJJ-UHFFFAOYSA-N -1 0 320.323 -0.024 20 0 DBADRM CNC(=O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000341599260 138112032 /nfs/dbraw/zinc/11/20/32/138112032.db2.gz ZXSLCZUEVYFHAR-UHFFFAOYSA-N -1 0 321.305 -0.895 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N[C@H](CCC)c1nnn[n-]1 ZINC000341407313 138108589 /nfs/dbraw/zinc/10/85/89/138108589.db2.gz PNIJILKRKDEWIL-SECBINFHSA-N -1 0 318.403 -0.123 20 0 DBADRM Cn1nccc1COCC(=O)Nc1n[nH]c(SCCO)n1 ZINC000354933238 138137645 /nfs/dbraw/zinc/13/76/45/138137645.db2.gz ZPLAXFBUOKFPFB-UHFFFAOYSA-N -1 0 312.355 -0.222 20 0 DBADRM C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)[O-] ZINC000354978849 138138337 /nfs/dbraw/zinc/13/83/37/138138337.db2.gz HWASFGXUUIQMIW-VIFPVBQESA-N -1 0 300.336 -0.056 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000372317047 138166217 /nfs/dbraw/zinc/16/62/17/138166217.db2.gz USAZUQKZUUWPAU-UHFFFAOYSA-N -1 0 303.340 -0.713 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000362338456 138152026 /nfs/dbraw/zinc/15/20/26/138152026.db2.gz DTKOPRXVGPKEKP-UHFFFAOYSA-N -1 0 307.310 -0.548 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC(COC)(C(=O)[O-])CC1 ZINC000370544166 138158211 /nfs/dbraw/zinc/15/82/11/138158211.db2.gz PTIOYZMIJXFVMG-UHFFFAOYSA-N -1 0 324.399 -0.377 20 0 DBADRM COCC1(C(=O)[O-])CCN(S(=O)(=O)[C@H]2CCOC2)CC1 ZINC000370606097 138158627 /nfs/dbraw/zinc/15/86/27/138158627.db2.gz HIVHPBFIDRHHCJ-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])nc1Cl ZINC000373569182 138173202 /nfs/dbraw/zinc/17/32/02/138173202.db2.gz PXASRHRYMSOJFM-RITPCOANSA-N -1 0 309.731 -0.718 20 0 DBADRM O=C([O-])C1CN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1 ZINC000373584377 138173530 /nfs/dbraw/zinc/17/35/30/138173530.db2.gz LFTJANMZGRVBKD-UHFFFAOYSA-N -1 0 316.379 -0.266 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCCC3)C1 ZINC000373030159 138170679 /nfs/dbraw/zinc/17/06/79/138170679.db2.gz RSRHUPWBHAVWFL-SNVBAGLBSA-N -1 0 308.338 -0.296 20 0 DBADRM COc1ccc([C@@H]2[C@@H](C(=O)[N-]OCC(N)=O)CC(=O)N2C)cc1 ZINC000376148982 138185518 /nfs/dbraw/zinc/18/55/18/138185518.db2.gz KGESJRKRCIMRQP-SMDDNHRTSA-N -1 0 321.333 -0.252 20 0 DBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1cn2c(n1)CCCC2 ZINC000376947198 138190125 /nfs/dbraw/zinc/19/01/25/138190125.db2.gz GUAYDPJFXJQOHO-QMMMGPOBSA-N -1 0 303.340 -0.667 20 0 DBADRM CN1CCN(C(=O)CN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC000377487060 138193085 /nfs/dbraw/zinc/19/30/85/138193085.db2.gz WTRQXALTSWKVSI-LLVKDONJSA-N -1 0 308.386 -0.536 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000408377323 138216325 /nfs/dbraw/zinc/21/63/25/138216325.db2.gz ZWKUMODLJGPTAL-LURJTMIESA-N -1 0 302.274 -0.137 20 0 DBADRM O=C([N-]S(=O)(=O)c1cncc(Cl)c1)[C@H]1COCCO1 ZINC000408063390 138205993 /nfs/dbraw/zinc/20/59/93/138205993.db2.gz VCOJGFTXZUPPLS-SECBINFHSA-N -1 0 306.727 -0.045 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CN1CCCCC1=O ZINC000408132272 138207966 /nfs/dbraw/zinc/20/79/66/138207966.db2.gz JVACXGVQYRVLQW-UHFFFAOYSA-N -1 0 300.340 -0.763 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)CO1 ZINC000408158206 138209199 /nfs/dbraw/zinc/20/91/99/138209199.db2.gz MNESJGRQYMOIOU-RKDXNWHRSA-N -1 0 315.351 -0.105 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000408253129 138212650 /nfs/dbraw/zinc/21/26/50/138212650.db2.gz FBJGKLLGBCIMTQ-NWDGAFQWSA-N -1 0 320.411 -0.420 20 0 DBADRM O=S(=O)(CC(F)(F)F)[N-]CCN1CCCS1(=O)=O ZINC000408309330 138214570 /nfs/dbraw/zinc/21/45/70/138214570.db2.gz MWDIQYLBKJMUMC-UHFFFAOYSA-N -1 0 310.319 -0.496 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000408422687 138218159 /nfs/dbraw/zinc/21/81/59/138218159.db2.gz TUASGLAGCPMRQJ-RYUDHWBXSA-N -1 0 318.395 -0.130 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000408428431 138218781 /nfs/dbraw/zinc/21/87/81/138218781.db2.gz UQJYKATXJNDBDR-GXSJLCMTSA-N -1 0 316.379 -0.378 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000408445879 138218910 /nfs/dbraw/zinc/21/89/10/138218910.db2.gz CVJDQLBZDFMGDN-QWRGUYRKSA-N -1 0 318.395 -0.082 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000408446633 138219324 /nfs/dbraw/zinc/21/93/24/138219324.db2.gz NZMLWRCNCHIUJI-UWVGGRQHSA-N -1 0 304.368 -0.330 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000408456979 138219859 /nfs/dbraw/zinc/21/98/59/138219859.db2.gz MRPPMDRFTWQMCJ-SSDOTTSWSA-N -1 0 304.290 -0.285 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000408454497 138220055 /nfs/dbraw/zinc/22/00/55/138220055.db2.gz UWKGGMJEMCATAC-VXGBXAGGSA-N -1 0 320.411 -0.278 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)C1CCC1 ZINC000408487414 138220255 /nfs/dbraw/zinc/22/02/55/138220255.db2.gz VWIJCHBDQMZARA-UHFFFAOYSA-N -1 0 310.397 -0.590 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)c1cn(CC2(C)COC2)nn1 ZINC000408473437 138220317 /nfs/dbraw/zinc/22/03/17/138220317.db2.gz GBBYNQURMLYBIF-UHFFFAOYSA-N -1 0 302.356 -0.217 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000408484271 138220404 /nfs/dbraw/zinc/22/04/04/138220404.db2.gz ZFXZLOVXGJGLNW-KXUCPTDWSA-N -1 0 304.368 -0.487 20 0 DBADRM O=C([N-]S(=O)(=O)c1cccnc1)[C@H]1CCCCS1(=O)=O ZINC000408486322 138220417 /nfs/dbraw/zinc/22/04/17/138220417.db2.gz SALXPURNPWOQTC-SNVBAGLBSA-N -1 0 318.376 -0.146 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000408487053 138220468 /nfs/dbraw/zinc/22/04/68/138220468.db2.gz URMBLZMXZKNAHM-VHSXEESVSA-N -1 0 304.368 -0.520 20 0 DBADRM CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000354975991 535326366 /nfs/dbraw/zinc/32/63/66/535326366.db2.gz ZVPGGDAJNNDIGY-UHFFFAOYSA-N -1 0 321.399 -0.418 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000262673998 304068533 /nfs/dbraw/zinc/06/85/33/304068533.db2.gz XWUACYUCGGNZOZ-HNNXBMFYSA-N -1 0 317.301 -0.419 20 0 DBADRM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](COC)C(=O)[O-] ZINC000252496144 283441506 /nfs/dbraw/zinc/44/15/06/283441506.db2.gz GDGXQAIUUNNQQF-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)CN1CSCC1=O ZINC000091128082 304086128 /nfs/dbraw/zinc/08/61/28/304086128.db2.gz NDPKIVARTKAKBP-QMMMGPOBSA-N -1 0 304.393 -0.062 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000037417397 283543997 /nfs/dbraw/zinc/54/39/97/283543997.db2.gz CHKDUKKSUAYDBG-ZCFIWIBFSA-N -1 0 308.337 -0.915 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])OC)nc1C ZINC000232107939 283583445 /nfs/dbraw/zinc/58/34/45/283583445.db2.gz UDNXRSCTRIFMNA-VIFPVBQESA-N -1 0 305.356 -0.021 20 0 DBADRM COc1cccc(C(=O)NCC(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000447632434 238332043 /nfs/dbraw/zinc/33/20/43/238332043.db2.gz JQVHREOTFIAYGG-UHFFFAOYSA-N -1 0 320.305 -0.540 20 0 DBADRM O=C(Cn1nnc(-c2ccccc2)n1)NCCc1nc(=O)o[n-]1 ZINC000447636105 238332402 /nfs/dbraw/zinc/33/24/02/238332402.db2.gz FZGSQIVFRVWZML-UHFFFAOYSA-N -1 0 315.293 -0.625 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000451672765 238384503 /nfs/dbraw/zinc/38/45/03/238384503.db2.gz TZCLYKRKAGIYLB-VIFPVBQESA-N -1 0 319.349 -0.181 20 0 DBADRM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000447768534 291251556 /nfs/dbraw/zinc/25/15/56/291251556.db2.gz SGQUSZVMVZXTHJ-RNFRBKRXSA-N -1 0 316.326 -0.421 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000532677651 283622018 /nfs/dbraw/zinc/62/20/18/283622018.db2.gz OWTIJSHQGNXZAP-ZCFIWIBFSA-N -1 0 306.365 -0.131 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N(C)CCC(=O)[O-])c1 ZINC000533195970 283631869 /nfs/dbraw/zinc/63/18/69/283631869.db2.gz UEGTWZKBHJBTFY-UHFFFAOYSA-N -1 0 303.340 -0.188 20 0 DBADRM O=C([O-])[C@H]1CC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000507399943 238638442 /nfs/dbraw/zinc/63/84/42/238638442.db2.gz FPFNWIHJPQWQPH-MNOVXSKESA-N -1 0 323.349 -0.953 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])CC1=O ZINC000420573436 297307770 /nfs/dbraw/zinc/30/77/70/297307770.db2.gz ZSNTYPRGBYKFFK-BBBLOLIVSA-N -1 0 311.338 -0.955 20 0 DBADRM CN(C)c1nccc(CNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC000540518913 283683055 /nfs/dbraw/zinc/68/30/55/283683055.db2.gz UDTKEDUTKWXWBQ-UHFFFAOYSA-N -1 0 304.310 -0.728 20 0 DBADRM O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1n[nH]c(=O)[n-]1 ZINC000542455808 283696361 /nfs/dbraw/zinc/69/63/61/283696361.db2.gz IMYSGLWOYZSYSK-SECBINFHSA-N -1 0 302.294 -0.169 20 0 DBADRM NC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000541910656 283694145 /nfs/dbraw/zinc/69/41/45/283694145.db2.gz IDDMLISNESIPRB-QMMMGPOBSA-N -1 0 322.726 -0.837 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)C(=O)[O-])cn1 ZINC000547544961 283742199 /nfs/dbraw/zinc/74/21/99/283742199.db2.gz HVTBUDBBTKXTML-ZETCQYMHSA-N -1 0 302.308 -0.133 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cccc2c1OCCO2)C(=O)[O-] ZINC000547566280 283745081 /nfs/dbraw/zinc/74/50/81/283745081.db2.gz WGPNESRNQKEXGR-VIFPVBQESA-N -1 0 317.319 -0.164 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)[O-] ZINC000547582343 283745325 /nfs/dbraw/zinc/74/53/25/283745325.db2.gz NGYUJCKBLYFZTI-DTWKUNHWSA-N -1 0 305.356 -0.081 20 0 DBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCC1CC1 ZINC000547597672 283746017 /nfs/dbraw/zinc/74/60/17/283746017.db2.gz QTKPFJVXJPDVIO-VHSXEESVSA-N -1 0 304.368 -0.233 20 0 DBADRM COCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000547544374 283742485 /nfs/dbraw/zinc/74/24/85/283742485.db2.gz WADPQWSZGACKLF-UHFFFAOYSA-N -1 0 316.335 -0.688 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000547547870 283742786 /nfs/dbraw/zinc/74/27/86/283742786.db2.gz DEGJIEJZHJCIQY-SCZZXKLOSA-N -1 0 305.356 -0.110 20 0 DBADRM Cc1ccc(CS(=O)(=O)NCC(=O)NCC(=O)[O-])cc1F ZINC000547547329 283743064 /nfs/dbraw/zinc/74/30/64/283743064.db2.gz UQUSBGGDAOQVHS-UHFFFAOYSA-N -1 0 318.326 -0.246 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-] ZINC000547553810 283743682 /nfs/dbraw/zinc/74/36/82/283743682.db2.gz XUAIBWXAMNNJKM-LDWIPMOCSA-N -1 0 302.283 -0.190 20 0 DBADRM C[C@@H](CCCNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000547561494 283744301 /nfs/dbraw/zinc/74/43/01/283744301.db2.gz JGGBOMVRYYGGNS-VIFPVBQESA-N -1 0 315.413 -0.159 20 0 DBADRM COCC[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC000547558768 283744331 /nfs/dbraw/zinc/74/43/31/283744331.db2.gz LYSSFGLPLVWHJJ-VIFPVBQESA-N -1 0 310.372 -0.579 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000547556858 283744449 /nfs/dbraw/zinc/74/44/49/283744449.db2.gz DBSCNKLXXMCYGN-DTWKUNHWSA-N -1 0 303.340 -0.422 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000547762803 283751444 /nfs/dbraw/zinc/75/14/44/283751444.db2.gz PHUKGORGVPLKBC-UHFFFAOYSA-N -1 0 301.328 -0.339 20 0 DBADRM COCCN(CCOC)S(=O)(=O)NCC(C)(C)C(=O)[O-] ZINC000547901619 283757706 /nfs/dbraw/zinc/75/77/06/283757706.db2.gz DQVAYOHPSZWNSI-UHFFFAOYSA-N -1 0 312.388 -0.474 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)CCOC(C)C)C(=O)[O-])c1 ZINC000547902018 283757805 /nfs/dbraw/zinc/75/78/05/283757805.db2.gz WIHXOJSXFIKENL-NSHDSACASA-N -1 0 319.383 -0.011 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000547871209 283755286 /nfs/dbraw/zinc/75/52/86/283755286.db2.gz KNCYAKSTZSAFKX-SCZZXKLOSA-N -1 0 315.351 -0.260 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547876650 283755656 /nfs/dbraw/zinc/75/56/56/283755656.db2.gz OENWGXMIKKBKPE-RKDXNWHRSA-N -1 0 303.340 -0.205 20 0 DBADRM CCOCCS(=O)(=O)N[C@@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000547878296 283755734 /nfs/dbraw/zinc/75/57/34/283755734.db2.gz GWALRWAFLDCRLA-NSHDSACASA-N -1 0 319.383 -0.091 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547879142 283755775 /nfs/dbraw/zinc/75/57/75/283755775.db2.gz GLAFSXMPQZKWHA-WCBMZHEXSA-N -1 0 303.340 -0.329 20 0 DBADRM COC(=O)CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547876286 283755859 /nfs/dbraw/zinc/75/58/59/283755859.db2.gz YQZBYDPJHQVFKI-SCZZXKLOSA-N -1 0 309.340 -0.651 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)c2cnn(C)c2)C(=O)[O-])c1 ZINC000547879341 283756318 /nfs/dbraw/zinc/75/63/18/283756318.db2.gz ALTKWOFOWYWBPX-JTQLQIEISA-N -1 0 313.339 -0.643 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1[C@@H](C)SC[C@@H]1C(=O)[O-] ZINC000547889873 283757235 /nfs/dbraw/zinc/75/72/35/283757235.db2.gz SDWRAWJYQDFYEB-BWZBUEFSSA-N -1 0 311.381 -0.027 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000548242705 283772285 /nfs/dbraw/zinc/77/22/85/283772285.db2.gz HACKKILVOJJTLS-SNVBAGLBSA-N -1 0 316.335 -0.494 20 0 DBADRM Cn1cnc2cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])ccc21 ZINC000548193648 283769199 /nfs/dbraw/zinc/76/91/99/283769199.db2.gz CTPMRRVOPRWVTF-SECBINFHSA-N -1 0 313.335 -0.313 20 0 DBADRM CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC000548216132 283770718 /nfs/dbraw/zinc/77/07/18/283770718.db2.gz FCBRCFPSBXRKJK-SECBINFHSA-N -1 0 315.413 -0.066 20 0 DBADRM CC[C@@](C)(CNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000548228166 283771351 /nfs/dbraw/zinc/77/13/51/283771351.db2.gz DAPKSTWHLOWQJR-JTQLQIEISA-N -1 0 315.413 -0.159 20 0 DBADRM Cn1cc(C[C@@H](CNS(=O)(=O)[C@@H]2CCOC2)C(=O)[O-])cn1 ZINC000548223748 283771360 /nfs/dbraw/zinc/77/13/60/283771360.db2.gz ITZXUCIBNRIDOL-WDEREUQCSA-N -1 0 317.367 -0.628 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)cn1 ZINC000548226625 283771371 /nfs/dbraw/zinc/77/13/71/283771371.db2.gz VJDDTUXBSVPOIJ-UHFFFAOYSA-N -1 0 300.292 -0.427 20 0 DBADRM CC[C@@](C)(CNS(=O)(=O)N(C)CCC(=O)OC)C(=O)[O-] ZINC000548228408 283771923 /nfs/dbraw/zinc/77/19/23/283771923.db2.gz FRZLTJKPSAENMU-NSHDSACASA-N -1 0 310.372 -0.183 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cncn1CC)C(=O)[O-] ZINC000548235173 283771948 /nfs/dbraw/zinc/77/19/48/283771948.db2.gz FJOCYPPFIUFKQF-SCZZXKLOSA-N -1 0 305.356 -0.205 20 0 DBADRM CCn1cncc1S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-] ZINC000548357276 283776642 /nfs/dbraw/zinc/77/66/42/283776642.db2.gz VYHJWDFDQBQMIY-NSHDSACASA-N -1 0 305.356 -0.345 20 0 DBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)N1CCCCC1 ZINC000548256984 283773237 /nfs/dbraw/zinc/77/32/37/283773237.db2.gz ODZLVPTUFLKNFS-DYBLOJMWSA-N -1 0 310.397 -0.765 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000548260505 283773282 /nfs/dbraw/zinc/77/32/82/283773282.db2.gz FRIVSGQFANFSBO-NXEZZACHSA-N -1 0 319.383 -0.071 20 0 DBADRM CCN(CC)S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000548552341 283784393 /nfs/dbraw/zinc/78/43/93/283784393.db2.gz QETDLEKBMLEXRT-SECBINFHSA-N -1 0 307.372 -0.904 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])c1 ZINC000548561460 283784945 /nfs/dbraw/zinc/78/49/45/283784945.db2.gz PBWQKOSWLHGIDE-SECBINFHSA-N -1 0 317.367 -0.182 20 0 DBADRM C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000548526528 283781760 /nfs/dbraw/zinc/78/17/60/283781760.db2.gz GAVXCQWPQVYNBP-ZETCQYMHSA-N -1 0 322.364 -0.525 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000548533547 283783391 /nfs/dbraw/zinc/78/33/91/283783391.db2.gz LLTKSJZVDDAYJO-ZETCQYMHSA-N -1 0 307.715 -0.658 20 0 DBADRM C[C@H](C(F)(F)F)S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000548586101 283785976 /nfs/dbraw/zinc/78/59/76/283785976.db2.gz CYBWOGDYWGCPEM-PCPWYLJTSA-N -1 0 323.314 -0.216 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000548768972 283792393 /nfs/dbraw/zinc/79/23/93/283792393.db2.gz FDSRQNVKIPIGSH-BDAKNGLRSA-N -1 0 323.367 -0.311 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)c1cccc2c1OCO2 ZINC000548876103 283795531 /nfs/dbraw/zinc/79/55/31/283795531.db2.gz OPBRLJWCFLDAAL-UHFFFAOYSA-N -1 0 303.292 -0.517 20 0 DBADRM C[C@H]1OCCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)[C@@H]1C(=O)[O-] ZINC000551246463 283809582 /nfs/dbraw/zinc/80/95/82/283809582.db2.gz ZIFDRVMISATCRV-BBBLOLIVSA-N -1 0 320.367 -0.601 20 0 DBADRM COCC[C@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-] ZINC000554433563 283933103 /nfs/dbraw/zinc/93/31/03/283933103.db2.gz DSDFEBZOPQHHIZ-QMMMGPOBSA-N -1 0 311.356 -0.405 20 0 DBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)CCCCF ZINC000554431077 283933108 /nfs/dbraw/zinc/93/31/08/283933108.db2.gz YGEJPXUXLASDGQ-BDAKNGLRSA-N -1 0 310.347 -0.284 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)[O-] ZINC000554432728 283933123 /nfs/dbraw/zinc/93/31/23/283933123.db2.gz SNVODAYZNPWRSJ-SCZZXKLOSA-N -1 0 305.356 -0.379 20 0 DBADRM CCC[C@H](NS(=O)(=O)c1cnn(CC(=O)OC)c1)C(=O)[O-] ZINC000262703328 283933584 /nfs/dbraw/zinc/93/35/84/283933584.db2.gz ZPOQQMIQORODLE-VIFPVBQESA-N -1 0 319.339 -0.412 20 0 DBADRM COC[C@@](C)(NC(=O)NCCCO[C@H]1CCOC1)C(=O)[O-] ZINC000555845559 283947479 /nfs/dbraw/zinc/94/74/79/283947479.db2.gz BTIYYUUGDIWYEN-GXFFZTMASA-N -1 0 304.343 -0.029 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)CCOC(F)(F)F ZINC000558589680 283975576 /nfs/dbraw/zinc/97/55/76/283975576.db2.gz WJCYCMDOMGQCLT-UHFFFAOYSA-N -1 0 322.261 -0.967 20 0 DBADRM C[C@@H]([C@@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-])C1CC1 ZINC000558686231 283976942 /nfs/dbraw/zinc/97/69/42/283976942.db2.gz XSIULSCMKWVBGJ-PSASIEDQSA-N -1 0 304.368 -0.074 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)c2cn(C)nn2)ccc1[O-] ZINC000558426797 283972632 /nfs/dbraw/zinc/97/26/32/283972632.db2.gz CAWMHMDITRLKKL-UHFFFAOYSA-N -1 0 311.323 -0.319 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000560078411 283988032 /nfs/dbraw/zinc/98/80/32/283988032.db2.gz QDGDKFRYUBLXAQ-BDAKNGLRSA-N -1 0 308.356 -0.743 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCC1(C(=O)[O-])CCC1 ZINC000560421201 283991980 /nfs/dbraw/zinc/99/19/80/283991980.db2.gz AMACZYPYDSVWPZ-UHFFFAOYSA-N -1 0 308.356 -0.429 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)NCCCC(=O)[O-] ZINC000560922584 283996557 /nfs/dbraw/zinc/99/65/57/283996557.db2.gz VAHGXWCSIGIPKH-UHFFFAOYSA-N -1 0 309.388 -0.132 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)NCCCO[C@@H]1CCOC1 ZINC000561541955 284002788 /nfs/dbraw/zinc/00/27/88/284002788.db2.gz CKQPHENTMDGPME-GHMZBOCLSA-N -1 0 302.327 -0.323 20 0 DBADRM CCOCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000562449444 284011066 /nfs/dbraw/zinc/01/10/66/284011066.db2.gz GVKYETRBCJFBNF-CMPLNLGQSA-N -1 0 307.368 -0.224 20 0 DBADRM C[C@H](NC(=O)NCC(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000562391747 284009255 /nfs/dbraw/zinc/00/92/55/284009255.db2.gz QUYJLKXDAMRJNZ-ZETCQYMHSA-N -1 0 301.324 -0.221 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000562995497 284018800 /nfs/dbraw/zinc/01/88/00/284018800.db2.gz KRFYCSSSHGIATR-LLVKDONJSA-N -1 0 303.340 -0.088 20 0 DBADRM Cn1cc([C@H](NS(=O)(=O)CCOCC2CC2)C(=O)[O-])cn1 ZINC000563007768 284019365 /nfs/dbraw/zinc/01/93/65/284019365.db2.gz NBHXPUPWHCSUJC-NSHDSACASA-N -1 0 317.367 -0.108 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)c1cnc(C(=O)[O-])cn1 ZINC000563128137 284025074 /nfs/dbraw/zinc/02/50/74/284025074.db2.gz GGHIADMMOGTBME-UHFFFAOYSA-N -1 0 316.339 -0.768 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)c1 ZINC000563131303 284025405 /nfs/dbraw/zinc/02/54/05/284025405.db2.gz HQYCQLKZOHBSNG-CQSZACIVSA-N -1 0 308.290 -0.409 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cc[nH]n2)C[C@@H]1C(=O)[O-] ZINC000563133870 284025426 /nfs/dbraw/zinc/02/54/26/284025426.db2.gz PLISSIHKHUSYAY-KOLCDFICSA-N -1 0 308.338 -0.063 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)CC2(CO)CC2)C[C@H]1C(=O)[O-] ZINC000563132825 284025439 /nfs/dbraw/zinc/02/54/39/284025439.db2.gz XZHMNMXPDGZHFL-GHMZBOCLSA-N -1 0 312.366 -0.214 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CCC(=O)[O-] ZINC000563131998 284025451 /nfs/dbraw/zinc/02/54/51/284025451.db2.gz CWVDEVKDBLMMKQ-VIFPVBQESA-N -1 0 302.327 -0.329 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@@H]3OCC[C@@H]3C2)cn1 ZINC000563079378 284021806 /nfs/dbraw/zinc/02/18/06/284021806.db2.gz FUBLMUOBSHQJPX-KOLCDFICSA-N -1 0 315.351 -0.233 20 0 DBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NCCCC(=O)[O-])C1 ZINC000563092298 284022529 /nfs/dbraw/zinc/02/25/29/284022529.db2.gz JFAHYPNSBDRVGU-VXGBXAGGSA-N -1 0 318.370 -0.093 20 0 DBADRM CN(C)c1ncc(CN(C)C(=O)C(=O)NCCCC(=O)[O-])cn1 ZINC000563150332 284026981 /nfs/dbraw/zinc/02/69/81/284026981.db2.gz MOVXBQULVKBQBG-UHFFFAOYSA-N -1 0 323.353 -0.518 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)[C@H]1CCO[C@H](C)C1)C(=O)[O-] ZINC000563226704 284029860 /nfs/dbraw/zinc/02/98/60/284029860.db2.gz SVTNSWYYIYMLHV-HRDYMLBCSA-N -1 0 309.340 -0.510 20 0 DBADRM C[C@@](O)(CNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1)C(=O)[O-] ZINC000563413589 284037990 /nfs/dbraw/zinc/03/79/90/284037990.db2.gz CSDBRDUBLNSEQB-CVEARBPZSA-N -1 0 320.345 -0.214 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3c(c2)CCN3)CCS1(=O)=O ZINC000563432272 284038554 /nfs/dbraw/zinc/03/85/54/284038554.db2.gz MNIXHZMAFHLRDX-GFCCVEGCSA-N -1 0 324.358 -0.022 20 0 DBADRM COCCO[C@@H]1CCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000563536422 284042326 /nfs/dbraw/zinc/04/23/26/284042326.db2.gz KOWQRHVXTRLAEY-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM CS(=O)(=O)c1ccc(OCCNC(=O)NCC(=O)[O-])cc1 ZINC000563560147 284043195 /nfs/dbraw/zinc/04/31/95/284043195.db2.gz KBICKGKGLIHEPZ-UHFFFAOYSA-N -1 0 316.335 -0.147 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000563621239 284044975 /nfs/dbraw/zinc/04/49/75/284044975.db2.gz UQODEBZEJUZQHX-NHCYSSNCSA-N -1 0 324.399 -0.190 20 0 DBADRM C[C@H](C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1)N1C(=O)CCC1=O ZINC000563621537 284045087 /nfs/dbraw/zinc/04/50/87/284045087.db2.gz ACVPDFBRTIFTQU-MRVPVSSYSA-N -1 0 321.337 -0.246 20 0 DBADRM CC1(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CC1 ZINC000563623357 284045251 /nfs/dbraw/zinc/04/52/51/284045251.db2.gz FLJINTRJPACLCN-MRVPVSSYSA-N -1 0 311.381 -0.558 20 0 DBADRM COC[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)C(C)C ZINC000563802520 284049077 /nfs/dbraw/zinc/04/90/77/284049077.db2.gz DDHSOKZXUGFVEV-GMTAPVOTSA-N -1 0 300.355 -0.047 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)CCCC(=O)OC)C(=O)[O-] ZINC000564392861 284059796 /nfs/dbraw/zinc/05/97/96/284059796.db2.gz GAHDSZIWIRZJJS-PSASIEDQSA-N -1 0 311.356 -0.527 20 0 DBADRM COCC[C@@H](NS(=O)(=O)CCOC(F)(F)F)C(=O)[O-] ZINC000564552905 284062060 /nfs/dbraw/zinc/06/20/60/284062060.db2.gz DREJPFLYFSEYPJ-ZCFIWIBFSA-N -1 0 309.262 -0.068 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCCC2)nc1 ZINC000564636364 284063655 /nfs/dbraw/zinc/06/36/55/284063655.db2.gz WKVZHUXUFGDAPZ-UHFFFAOYSA-N -1 0 313.335 -0.144 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000564801427 284067377 /nfs/dbraw/zinc/06/73/77/284067377.db2.gz FXVWJYZZSPRULS-RKDXNWHRSA-N -1 0 310.372 -0.703 20 0 DBADRM Cc1nc(N(C)C)nc(N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC000564841338 284068849 /nfs/dbraw/zinc/06/88/49/284068849.db2.gz VFEVKCSOKQVYCY-SECBINFHSA-N -1 0 318.341 -0.013 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)NCCCC(=O)[O-])CC2 ZINC000564925465 284072361 /nfs/dbraw/zinc/07/23/61/284072361.db2.gz RBZGLGDNKSUXLD-SECBINFHSA-N -1 0 311.342 -0.097 20 0 DBADRM NS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000564954675 284074383 /nfs/dbraw/zinc/07/43/83/284074383.db2.gz QAGNBRCGWODYAB-UHFFFAOYSA-N -1 0 313.335 -0.654 20 0 DBADRM COCC1(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)CC1 ZINC000565056287 284080177 /nfs/dbraw/zinc/08/01/77/284080177.db2.gz PAPKGGIIDYYHCS-ZYHUDNBSSA-N -1 0 319.379 -0.082 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N[C@H](CO)[C@H]1CCCOC1 ZINC000565237217 284089965 /nfs/dbraw/zinc/08/99/65/284089965.db2.gz YQCNUMAKSKXIOW-JGVFFNPUSA-N -1 0 306.306 -0.240 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000565833668 284105636 /nfs/dbraw/zinc/10/56/36/284105636.db2.gz ODFZNOJOKSAWCJ-QWRGUYRKSA-N -1 0 300.355 -0.214 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCOC[C@@H]1C1CC1 ZINC000565714728 284102899 /nfs/dbraw/zinc/10/28/99/284102899.db2.gz WOYLZNYTIVADTP-WDEREUQCSA-N -1 0 304.368 -0.109 20 0 DBADRM COC(=O)c1csc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1 ZINC000565786192 284104583 /nfs/dbraw/zinc/10/45/83/284104583.db2.gz LSMIAOFRFSHLKF-ZCFIWIBFSA-N -1 0 309.321 -0.742 20 0 DBADRM CCCc1nc(=NC(=O)NC[C@H](C)S(N)(=O)=O)s[n-]1 ZINC000350870000 284118173 /nfs/dbraw/zinc/11/81/73/284118173.db2.gz QTRKUCGAEFFBTK-LURJTMIESA-N -1 0 307.401 -0.289 20 0 DBADRM COC(=O)[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H](C)O1 ZINC000338338428 291473896 /nfs/dbraw/zinc/47/38/96/291473896.db2.gz AJCBADXLPJVNDO-ONGXEEELSA-N -1 0 306.322 -0.215 20 0 DBADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)CN1CCCS1(=O)=O ZINC000263049987 304160641 /nfs/dbraw/zinc/16/06/41/304160641.db2.gz RZNJAVHRPHUVGI-SCVCMEIPSA-N -1 0 316.379 -0.266 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCNC(C)=O ZINC000013071395 181826229 /nfs/dbraw/zinc/82/62/29/181826229.db2.gz JRVSWXVZLCZMEK-UHFFFAOYSA-N -1 0 316.335 -0.192 20 0 DBADRM COC(=O)CCNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013197770 181838064 /nfs/dbraw/zinc/83/80/64/181838064.db2.gz QHLRFFYMFARVRE-UHFFFAOYSA-N -1 0 303.292 -0.068 20 0 DBADRM C[C@@H](O)CN1CCN(S(=O)(=O)[N-]CC(F)(F)F)[C@H](C)C1 ZINC000195461331 296186688 /nfs/dbraw/zinc/18/66/88/296186688.db2.gz JIAVPGMAOKWULT-RKDXNWHRSA-N -1 0 319.349 -0.230 20 0 DBADRM O=C([O-])[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1 ZINC000314291865 304172239 /nfs/dbraw/zinc/17/22/39/304172239.db2.gz XQEMLMLAPWKTJJ-GFCCVEGCSA-N -1 0 303.274 -0.109 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-] ZINC000275199810 296202530 /nfs/dbraw/zinc/20/25/30/296202530.db2.gz NUANICCPZUIHEU-XRGYYRRGSA-N -1 0 313.282 -0.740 20 0 DBADRM CCN(CC(=O)[O-])CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000038017626 284418131 /nfs/dbraw/zinc/41/81/31/284418131.db2.gz JUFZPDRHYBBRPO-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)CC(=O)[O-] ZINC000530435917 374257802 /nfs/dbraw/zinc/25/78/02/374257802.db2.gz ZERUQYHHKRLVRO-VIFPVBQESA-N -1 0 316.335 -0.447 20 0 DBADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)N1CCOCC1 ZINC000231931930 374272883 /nfs/dbraw/zinc/27/28/83/374272883.db2.gz QZCRNFWBTCTVOG-VWYCJHECSA-N -1 0 304.368 -0.252 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)[C@H]1CCC[C@H]1C(=O)OC)C(=O)OC ZINC000530485542 374274264 /nfs/dbraw/zinc/27/42/64/374274264.db2.gz NRLKKZNXXCYTOA-UTLUCORTSA-N -1 0 323.367 -0.565 20 0 DBADRM Cc1c([C@@H](NS(=O)(=O)C[C@@H]2CCCO2)C(=O)[O-])cnn1C ZINC000530488138 374276472 /nfs/dbraw/zinc/27/64/72/374276472.db2.gz HIIKLLHZLKAJGU-GXSJLCMTSA-N -1 0 317.367 -0.047 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000394670025 374301882 /nfs/dbraw/zinc/30/18/82/374301882.db2.gz PWBMISFEISNNLI-LLVKDONJSA-N -1 0 320.323 -0.024 20 0 DBADRM CCO[C@@H](CS(=O)(=O)NCCc1nc(=O)o[n-]1)C1CC1 ZINC000625161243 374374208 /nfs/dbraw/zinc/37/42/08/374374208.db2.gz NKLUIIRQPPTCLM-VIFPVBQESA-N -1 0 305.356 -0.360 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@@H]2COCCO2)cc1C(=O)[O-] ZINC000038061206 374421894 /nfs/dbraw/zinc/42/18/94/374421894.db2.gz QNEWPENRNDFYSC-MRVPVSSYSA-N -1 0 304.324 -0.583 20 0 DBADRM CC(C)CS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000124641376 374428458 /nfs/dbraw/zinc/42/84/58/374428458.db2.gz GLVMFBCQSNJRTR-VIFPVBQESA-N -1 0 313.397 -0.454 20 0 DBADRM Cc1nc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)cn1C ZINC000131781946 374429892 /nfs/dbraw/zinc/42/98/92/374429892.db2.gz LQVAOHZWANXCPI-UHFFFAOYSA-N -1 0 303.340 -0.359 20 0 DBADRM C[C@H]1CCN(C(=O)NCCNS(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC000128336450 374429916 /nfs/dbraw/zinc/42/99/16/374429916.db2.gz CADMOKVARBRIMP-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-] ZINC000003079639 374437377 /nfs/dbraw/zinc/43/73/77/374437377.db2.gz AIVHZBIRKPAQGR-JTQLQIEISA-N -1 0 323.305 -0.642 20 0 DBADRM O=C(NCCO)c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000070417715 374478878 /nfs/dbraw/zinc/47/88/78/374478878.db2.gz VUOCXAAARKSBTH-UHFFFAOYSA-N -1 0 310.335 -0.067 20 0 DBADRM CCn1cc(CNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)nn1 ZINC000628073517 374480891 /nfs/dbraw/zinc/48/08/91/374480891.db2.gz PXSTXPWFNOSNIR-UHFFFAOYSA-N -1 0 324.366 -0.006 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(O)cc1O ZINC000617887802 374470811 /nfs/dbraw/zinc/47/08/11/374470811.db2.gz IOUKNHJMCLGQQA-GXSJLCMTSA-N -1 0 301.320 -0.360 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])cc1C(N)=O ZINC000079483765 374502367 /nfs/dbraw/zinc/50/23/67/374502367.db2.gz IFEKBTMKOIWXCO-GFCCVEGCSA-N -1 0 315.351 -0.248 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000616501496 374531611 /nfs/dbraw/zinc/53/16/11/374531611.db2.gz ZZNOWFBGSTWLOR-SSDOTTSWSA-N -1 0 313.335 -0.700 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000616501497 374531678 /nfs/dbraw/zinc/53/16/78/374531678.db2.gz ZZNOWFBGSTWLOR-ZETCQYMHSA-N -1 0 313.335 -0.700 20 0 DBADRM CO[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)[C@](C)(C(=O)[O-])C1 ZINC000634693842 374581591 /nfs/dbraw/zinc/58/15/91/374581591.db2.gz IXLVNGSSPLHONU-HZMBPMFUSA-N -1 0 311.338 -0.852 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)C[C@H]1C(=O)[O-] ZINC000634698188 374592740 /nfs/dbraw/zinc/59/27/40/374592740.db2.gz CMJHAGYZIQUVGO-NNYUYHANSA-N -1 0 310.350 -0.340 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000568268899 374585493 /nfs/dbraw/zinc/58/54/93/374585493.db2.gz NJFMKDNWIGNSAD-QMMMGPOBSA-N -1 0 315.351 -0.123 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)C1 ZINC000569120280 374638163 /nfs/dbraw/zinc/63/81/63/374638163.db2.gz SJRSDKDEVAIZBH-LPEHRKFASA-N -1 0 318.395 -0.117 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000584113517 374642751 /nfs/dbraw/zinc/64/27/51/374642751.db2.gz VFZCOJFZFYFUPT-CABZTGNLSA-N -1 0 322.317 -0.069 20 0 DBADRM CCCN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000312994108 374618807 /nfs/dbraw/zinc/61/88/07/374618807.db2.gz MQLLATIHOQIYDS-UHFFFAOYSA-N -1 0 303.340 -0.391 20 0 DBADRM COC(=O)c1cccc(CS(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000090262629 374650040 /nfs/dbraw/zinc/65/00/40/374650040.db2.gz BRDXCHMBGAYBOF-JTQLQIEISA-N -1 0 317.319 -0.662 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000092921098 374686708 /nfs/dbraw/zinc/68/67/08/374686708.db2.gz WCTGQVAHFCDHLD-APPZFPTMSA-N -1 0 315.351 -0.392 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)c1 ZINC000566114546 374736244 /nfs/dbraw/zinc/73/62/44/374736244.db2.gz BXWOHPPHDUMXII-PSASIEDQSA-N -1 0 303.340 -0.422 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])cn1C ZINC000278554368 374796447 /nfs/dbraw/zinc/79/64/47/374796447.db2.gz AUYRXLVVIOOBIP-XCBNKYQSSA-N -1 0 303.340 -0.409 20 0 DBADRM CCCCn1c(N)c(N(CC)Cc2n[nH]c(=O)[n-]2)c(=O)[nH]c1=O ZINC000092619208 374804666 /nfs/dbraw/zinc/80/46/66/374804666.db2.gz NMYYTVBPKCJACX-UHFFFAOYSA-N -1 0 323.357 -0.643 20 0 DBADRM Cn1cc([C@@H](NS(=O)(=O)C[C@H]2CCCO2)C(=O)[O-])cn1 ZINC000130818382 374774649 /nfs/dbraw/zinc/77/46/49/374774649.db2.gz BYLMUHGWWYUWRU-NXEZZACHSA-N -1 0 303.340 -0.356 20 0 DBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1nnn[n-]1 ZINC000600493818 374781200 /nfs/dbraw/zinc/78/12/00/374781200.db2.gz DTKWIEZHHKPWQC-VIFPVBQESA-N -1 0 316.387 -0.590 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nnn[n-]1 ZINC000600493412 374782256 /nfs/dbraw/zinc/78/22/56/374782256.db2.gz ALQJDKAGRSEXNL-LBPRGKRZSA-N -1 0 300.322 -0.211 20 0 DBADRM O=C(CCn1cc(Br)cn1)NCc1nnn[n-]1 ZINC000600495944 374785461 /nfs/dbraw/zinc/78/54/61/374785461.db2.gz OQKODZXHLYHGHH-UHFFFAOYSA-N -1 0 300.120 -0.135 20 0 DBADRM C[C@H](C(=O)NCc1nnn[n-]1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000600497729 374785670 /nfs/dbraw/zinc/78/56/70/374785670.db2.gz QRWUSNPBKKFUKU-IWSPIJDZSA-N -1 0 306.326 -0.620 20 0 DBADRM Cc1cccc([C@@H](CC(=O)NCc2nnn[n-]2)NC(N)=O)c1 ZINC000600496730 374785737 /nfs/dbraw/zinc/78/57/37/374785737.db2.gz UYFJYKHIFHUUQT-SNVBAGLBSA-N -1 0 303.326 -0.076 20 0 DBADRM CN(C)C(=O)COc1ccccc1C(=O)NCc1nnn[n-]1 ZINC000600496226 374785772 /nfs/dbraw/zinc/78/57/72/374785772.db2.gz SHVYLCBWZIEQHR-UHFFFAOYSA-N -1 0 304.310 -0.403 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cc(Cl)ccc1-n1cnnn1 ZINC000600496332 374785866 /nfs/dbraw/zinc/78/58/66/374785866.db2.gz CPYMGJWLDQIGSP-UHFFFAOYSA-N -1 0 305.689 -0.241 20 0 DBADRM CN(C)S(=O)(=O)c1cccc(C(=O)NCc2nnn[n-]2)c1 ZINC000600497478 374786005 /nfs/dbraw/zinc/78/60/05/374786005.db2.gz MKMWPFABGUBHRW-UHFFFAOYSA-N -1 0 310.339 -0.620 20 0 DBADRM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCc1nnn[n-]1)C2=O ZINC000600502573 374788447 /nfs/dbraw/zinc/78/84/47/374788447.db2.gz QKYMDWGPIYZHJA-MRVPVSSYSA-N -1 0 314.305 -0.191 20 0 DBADRM COC(=O)COCC(=O)N=c1nc(C2CCOCC2)[n-]s1 ZINC000600512883 374791602 /nfs/dbraw/zinc/79/16/02/374791602.db2.gz HEBDHLFAIYSJIW-UHFFFAOYSA-N -1 0 315.351 -0.018 20 0 DBADRM CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCC(=O)[O-])cnc21 ZINC000427297683 374865694 /nfs/dbraw/zinc/86/56/94/374865694.db2.gz VWOIRJWDUNWZBO-UHFFFAOYSA-N -1 0 306.278 -0.279 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CNC(=O)c1ccc(OC)cc1 ZINC000427292411 374867207 /nfs/dbraw/zinc/86/72/07/374867207.db2.gz PZQXZCGUFPSLPX-UHFFFAOYSA-N -1 0 324.333 -0.015 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)c2cccc(C(=O)[O-])n2)C1 ZINC000400254559 374900909 /nfs/dbraw/zinc/90/09/09/374900909.db2.gz FAMBCZFKQHZPFI-MRVPVSSYSA-N -1 0 313.335 -0.457 20 0 DBADRM CC(C)[C@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400180083 374888101 /nfs/dbraw/zinc/88/81/01/374888101.db2.gz GUAOYYIIBJFOQS-IUCAKERBSA-N -1 0 307.372 -0.571 20 0 DBADRM CC(C)[C@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400180081 374888622 /nfs/dbraw/zinc/88/86/22/374888622.db2.gz GUAOYYIIBJFOQS-BDAKNGLRSA-N -1 0 307.372 -0.571 20 0 DBADRM CC[C@](C)(NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400198135 374890050 /nfs/dbraw/zinc/89/00/50/374890050.db2.gz PWTIXXRVQGIXRE-KWQFWETISA-N -1 0 307.372 -0.427 20 0 DBADRM C=CCC[C@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400223227 374893438 /nfs/dbraw/zinc/89/34/38/374893438.db2.gz OJTDRSQKGRKQSN-ZJUUUORDSA-N -1 0 319.383 -0.261 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC000600661261 374837663 /nfs/dbraw/zinc/83/76/63/374837663.db2.gz VCJWAVLELCJSNQ-KBVBSXBZSA-N -1 0 323.367 -0.311 20 0 DBADRM CCOC(=O)c1nc([N-]S(=O)(=O)c2cnnn2C)c[nH]1 ZINC000600666854 374839660 /nfs/dbraw/zinc/83/96/60/374839660.db2.gz HRTGNVGRSSCRMA-UHFFFAOYSA-N -1 0 300.300 -0.484 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)ncn1 ZINC000625955318 374946758 /nfs/dbraw/zinc/94/67/58/374946758.db2.gz XWXHTNDTYIWWPS-DTWKUNHWSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nn1C ZINC000625954194 374947346 /nfs/dbraw/zinc/94/73/46/374947346.db2.gz BZTQGTSSBBBYQU-DTWKUNHWSA-N -1 0 324.337 -0.064 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000400275459 374904567 /nfs/dbraw/zinc/90/45/67/374904567.db2.gz OEZIPLFHHIZRLY-VIFPVBQESA-N -1 0 313.335 -0.457 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCCC[C@H]2C(=O)[O-])C1 ZINC000400305628 374908737 /nfs/dbraw/zinc/90/87/37/374908737.db2.gz RJGZUEHRRMEMTQ-ZJUUUORDSA-N -1 0 319.383 -0.331 20 0 DBADRM CCN(CC)S(=O)(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000117930438 374999843 /nfs/dbraw/zinc/99/98/43/374999843.db2.gz ZPTYRQUDXXXRFP-NSHDSACASA-N -1 0 315.399 -0.298 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000075102567 375000768 /nfs/dbraw/zinc/00/07/68/375000768.db2.gz ULLKNTDZWXRDHO-MRVPVSSYSA-N -1 0 319.360 -0.150 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC(=O)[O-] ZINC000262695107 375070231 /nfs/dbraw/zinc/07/02/31/375070231.db2.gz HOPWOJNHKNTKHA-SSDOTTSWSA-N -1 0 304.299 -0.307 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CCN1S(C)(=O)=O ZINC000634911301 375072144 /nfs/dbraw/zinc/07/21/44/375072144.db2.gz VPKDHFCLBVDFGW-AEJSXWLSSA-N -1 0 318.395 -0.165 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000634918959 375074495 /nfs/dbraw/zinc/07/44/95/375074495.db2.gz CJQCVYPMUAZLBU-VHSXEESVSA-N -1 0 304.368 -0.411 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000634918957 375074877 /nfs/dbraw/zinc/07/48/77/375074877.db2.gz CJQCVYPMUAZLBU-NXEZZACHSA-N -1 0 304.368 -0.411 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])CCN1S(C)(=O)=O ZINC000634929070 375075627 /nfs/dbraw/zinc/07/56/27/375075627.db2.gz DIOFIGZGVINMNG-MXWKQRLJSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C(=O)[O-])CCN1S(C)(=O)=O ZINC000634929069 375075972 /nfs/dbraw/zinc/07/59/72/375075972.db2.gz DIOFIGZGVINMNG-GMTAPVOTSA-N -1 0 318.395 -0.020 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000634922831 375076306 /nfs/dbraw/zinc/07/63/06/375076306.db2.gz LTDGLWSHJAPEGV-MNOVXSKESA-N -1 0 318.395 -0.019 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000634922876 375076939 /nfs/dbraw/zinc/07/69/39/375076939.db2.gz MLYWYIAMOZEVHP-VHSXEESVSA-N -1 0 318.395 -0.163 20 0 DBADRM CC1(C)[C@H](C(=O)N2CCN(c3nccnn3)CC2)[C@@H]1C(=O)[O-] ZINC000634937665 375078436 /nfs/dbraw/zinc/07/84/36/375078436.db2.gz PVIQZRIVELISLY-VHSXEESVSA-N -1 0 305.338 -0.123 20 0 DBADRM C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000262725599 375107962 /nfs/dbraw/zinc/10/79/62/375107962.db2.gz YUVMLXLKBUOGNI-MRVPVSSYSA-N -1 0 301.324 -0.709 20 0 DBADRM CCC(CC)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]1)N1CCOCC1 ZINC000079622048 375058913 /nfs/dbraw/zinc/05/89/13/375058913.db2.gz ARKGRCIDQXOHKU-LLVKDONJSA-N -1 0 311.386 -0.035 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)c2cn[nH]n2)s1 ZINC000124356030 375064819 /nfs/dbraw/zinc/06/48/19/375064819.db2.gz GPNYJFWUMJVTLG-UHFFFAOYSA-N -1 0 315.380 -0.117 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000635524005 375137880 /nfs/dbraw/zinc/13/78/80/375137880.db2.gz UZGZXEUKKRHMGM-LLVKDONJSA-N -1 0 313.354 -0.259 20 0 DBADRM Cn1cc(N2CCN(C(=O)NCCOCC(=O)[O-])CC2)cn1 ZINC000635523632 375137928 /nfs/dbraw/zinc/13/79/28/375137928.db2.gz QZPXLMCCQRRZRA-UHFFFAOYSA-N -1 0 311.342 -0.647 20 0 DBADRM CCN1CC[C@@H](NC(=O)N2CC[C@@](COC)(C(=O)[O-])C2)C1=O ZINC000635514939 375138211 /nfs/dbraw/zinc/13/82/11/375138211.db2.gz QKHIRLBDJAVDQU-QMTHXVAHSA-N -1 0 313.354 -0.260 20 0 DBADRM COCCO[C@H]1CCCN(C(=O)NCCOCC(=O)[O-])C1 ZINC000635524580 375139975 /nfs/dbraw/zinc/13/99/75/375139975.db2.gz NORBWDYEEIELRB-NSHDSACASA-N -1 0 304.343 -0.075 20 0 DBADRM C[C@@H]1CN(C(=O)NCCOCC(=O)[O-])C[C@@]2(CCOC2)O1 ZINC000635525054 375140065 /nfs/dbraw/zinc/14/00/65/375140065.db2.gz UNACEQSAIODORR-ZWNOBZJWSA-N -1 0 302.327 -0.323 20 0 DBADRM C[C@@H]1CN(C(=O)NCCOCC(=O)[O-])C[C@]2(CCOC2)O1 ZINC000635525052 375140548 /nfs/dbraw/zinc/14/05/48/375140548.db2.gz UNACEQSAIODORR-MFKMUULPSA-N -1 0 302.327 -0.323 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262780643 375141225 /nfs/dbraw/zinc/14/12/25/375141225.db2.gz OCQFZBXKAHASMZ-BDAKNGLRSA-N -1 0 322.383 -0.738 20 0 DBADRM CN(C)C(=O)CC1CCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC000635525387 375141841 /nfs/dbraw/zinc/14/18/41/375141841.db2.gz XOIPMRXQJMBSOG-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM COC(=O)CC[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000134679737 375141890 /nfs/dbraw/zinc/14/18/90/375141890.db2.gz SYZKIOUUZVGVKJ-UHFFFAOYSA-N -1 0 308.337 -0.229 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NC[C@H](C)C(=O)[O-])c(C)o1 ZINC000262788736 375147620 /nfs/dbraw/zinc/14/76/20/375147620.db2.gz PKBGPBPXOSYUSL-LURJTMIESA-N -1 0 304.324 -0.053 20 0 DBADRM O=C(CNC(=O)c1ccsc1)NCCCc1n[nH]c(=O)[n-]1 ZINC000081815167 375158849 /nfs/dbraw/zinc/15/88/49/375158849.db2.gz PFFDWBOFHGHCRL-UHFFFAOYSA-N -1 0 309.351 -0.362 20 0 DBADRM C[C@@H]1C[C@H](C)N(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000088685560 375166379 /nfs/dbraw/zinc/16/63/79/375166379.db2.gz PNSHSGNMUUQZDC-ZJUUUORDSA-N -1 0 300.384 -0.045 20 0 DBADRM CCNS(=O)(=O)c1ccc2c(c1)N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC000091622821 375172770 /nfs/dbraw/zinc/17/27/70/375172770.db2.gz SQRJKCCHXCZZPF-UHFFFAOYSA-N -1 0 323.378 -0.041 20 0 DBADRM CN(C(=O)c1nc(=O)[nH][n-]1)[C@H]1CCN(c2ccccc2)C1=O ZINC000131356480 375115146 /nfs/dbraw/zinc/11/51/46/375115146.db2.gz HZUOREQDUHTSIJ-JTQLQIEISA-N -1 0 301.306 -0.025 20 0 DBADRM COCCn1nnc2c1CCN(Cc1cc(C(=O)[O-])nn1C)C2 ZINC000635312674 375117254 /nfs/dbraw/zinc/11/72/54/375117254.db2.gz MUDDSDSODXGHMA-UHFFFAOYSA-N -1 0 320.353 -0.086 20 0 DBADRM CCN1CCN(CC(=O)NC(C)(C)CCC(=O)[O-])C(=O)C1=O ZINC000262730702 375121274 /nfs/dbraw/zinc/12/12/74/375121274.db2.gz BYAYJORJEVKAMF-UHFFFAOYSA-N -1 0 313.354 -0.563 20 0 DBADRM CCOC(=O)c1nc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)c[nH]1 ZINC000585730395 375240680 /nfs/dbraw/zinc/24/06/80/375240680.db2.gz PHFWNKVCNFHCJG-SSDOTTSWSA-N -1 0 318.355 -0.195 20 0 DBADRM O=C(CN1CC(=O)NC1=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000600988876 375200967 /nfs/dbraw/zinc/20/09/67/375200967.db2.gz GQBLPTHMERYJOA-UHFFFAOYSA-N -1 0 317.261 -0.480 20 0 DBADRM C[N@@H+]1C[C@H]2CCN(C(=O)c3cccc(-n4[n-]nnc4=N)c3)[C@H]2C1 ZINC000635954215 375288678 /nfs/dbraw/zinc/28/86/78/375288678.db2.gz LQGRWSBYPWKMNC-YPMHNXCESA-N -1 0 313.365 -0.149 20 0 DBADRM Cn1c(=O)oc2cc(S(=O)(=O)N3CC[C@H]3C(=O)[O-])ccc21 ZINC000279248584 375312741 /nfs/dbraw/zinc/31/27/41/375312741.db2.gz LABYXAYUSNJPSL-VIFPVBQESA-N -1 0 312.303 -0.021 20 0 DBADRM C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@@]1(C)C(=O)[O-] ZINC000570805175 375389795 /nfs/dbraw/zinc/38/97/95/375389795.db2.gz KMBGOBSEFAFLNV-PRHODGIISA-N -1 0 306.384 -0.117 20 0 DBADRM CCCc1nc(=NC(=O)C(=O)N2CC(C)(C(N)=O)C2)s[n-]1 ZINC000570840962 375396639 /nfs/dbraw/zinc/39/66/39/375396639.db2.gz OAGKAZFOOUVZRK-UHFFFAOYSA-N -1 0 311.367 -0.815 20 0 DBADRM CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)C1 ZINC000570166457 375338846 /nfs/dbraw/zinc/33/88/46/375338846.db2.gz IQEHSVWYTDIETI-SKDRFNHKSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CO1 ZINC000570330329 375352882 /nfs/dbraw/zinc/35/28/82/375352882.db2.gz YFGJPAVHUQIMNJ-HRDYMLBCSA-N -1 0 306.340 -0.943 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000052785817 375384484 /nfs/dbraw/zinc/38/44/84/375384484.db2.gz YGFFORRIOODGKB-VIFPVBQESA-N -1 0 305.356 -0.195 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N(CCO)CCC(=O)[O-])CCC1 ZINC000589681087 375459008 /nfs/dbraw/zinc/45/90/08/375459008.db2.gz XXMCECVJSWQLMY-UHFFFAOYSA-N -1 0 323.367 -0.572 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CO1 ZINC000574916724 375403447 /nfs/dbraw/zinc/40/34/47/375403447.db2.gz CVLFBCUSDUMEKX-DZHLUBAWSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000580074709 375427894 /nfs/dbraw/zinc/42/78/94/375427894.db2.gz ZWUARTULECEFMR-ZJUUUORDSA-N -1 0 304.368 -0.409 20 0 DBADRM CCC(=O)N1CCCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC000580075640 375428558 /nfs/dbraw/zinc/42/85/58/375428558.db2.gz UNAHCVKYTZHJTP-UHFFFAOYSA-N -1 0 313.354 -0.562 20 0 DBADRM CC(C)Cc1nsc(NC([O-])=CS(=O)(=O)N(C)C)n1 ZINC000618348565 375436424 /nfs/dbraw/zinc/43/64/24/375436424.db2.gz SCYWFQJANKZXIJ-UHFFFAOYSA-N -1 0 306.413 -0.012 20 0 DBADRM C[C@H]1C(=O)Nc2ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc21 ZINC000105822849 375442943 /nfs/dbraw/zinc/44/29/43/375442943.db2.gz CBVJPRFZGGJZHP-LHLIQPBNSA-N -1 0 314.319 -0.534 20 0 DBADRM C[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1 ZINC000176650317 375501258 /nfs/dbraw/zinc/50/12/58/375501258.db2.gz ISXTVTMTHCNNMK-LURJTMIESA-N -1 0 310.335 -0.312 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)CC2(OC)CCC2)CCOC1 ZINC000601368784 375590273 /nfs/dbraw/zinc/59/02/73/375590273.db2.gz DBOYXLAYJWPTJZ-LBPRGKRZSA-N -1 0 307.368 -0.193 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@H]1CCC1(F)F ZINC000601384622 375594436 /nfs/dbraw/zinc/59/44/36/375594436.db2.gz DKJWTSVXJBIJAH-HTQZYQBOSA-N -1 0 301.311 -0.125 20 0 DBADRM Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C2 ZINC000364294637 375613368 /nfs/dbraw/zinc/61/33/68/375613368.db2.gz GPLDTWHQIUXGQE-SNVBAGLBSA-N -1 0 315.333 -0.128 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2ccccc2F)CCO1 ZINC000643151738 375618253 /nfs/dbraw/zinc/61/82/53/375618253.db2.gz VQYOIBLPQXKBNL-GFCCVEGCSA-N -1 0 324.308 -0.204 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2cccc(F)c2)CCO1 ZINC000643152583 375622123 /nfs/dbraw/zinc/62/21/23/375622123.db2.gz LASADSHVNWTLJM-LBPRGKRZSA-N -1 0 324.308 -0.204 20 0 DBADRM O=C(CCNS(=O)(=O)c1cccs1)N1CC[NH2+]CC1 ZINC000020184248 375612211 /nfs/dbraw/zinc/61/22/11/375612211.db2.gz MDXQPZCBWJBUFU-UHFFFAOYSA-N -1 0 303.409 -0.152 20 0 DBADRM COc1ccccc1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643150538 375612308 /nfs/dbraw/zinc/61/23/08/375612308.db2.gz CPCBKCWPBFKYFJ-GFCCVEGCSA-N -1 0 322.317 -0.377 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCS2)CCO1 ZINC000643163899 375650126 /nfs/dbraw/zinc/65/01/26/375650126.db2.gz YCHIJRPLDHBSQE-BDAKNGLRSA-N -1 0 302.352 -0.690 20 0 DBADRM COC[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C(C)C ZINC000643164739 375650854 /nfs/dbraw/zinc/65/08/54/375650854.db2.gz ITHQCNKIAAJCDR-NXEZZACHSA-N -1 0 302.327 -0.914 20 0 DBADRM CC(=O)N[C@@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)C1CCCC1 ZINC000364528258 375651387 /nfs/dbraw/zinc/65/13/87/375651387.db2.gz GKWNZQMTGJDGJK-NWDGAFQWSA-N -1 0 322.369 -0.206 20 0 DBADRM COCCOCCS(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000364398709 375632804 /nfs/dbraw/zinc/63/28/04/375632804.db2.gz FITKVPWQEWLPLF-JTQLQIEISA-N -1 0 311.356 -0.845 20 0 DBADRM O=C([O-])[C@H]1CNC(=O)CN1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000322780151 375638126 /nfs/dbraw/zinc/63/81/26/375638126.db2.gz LLSZHIDTGROURM-SECBINFHSA-N -1 0 321.289 -0.125 20 0 DBADRM CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643159665 375640214 /nfs/dbraw/zinc/64/02/14/375640214.db2.gz YDQASEUGERZCKR-MXWKQRLJSA-N -1 0 314.338 -0.770 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])CC1 ZINC000054053886 375640279 /nfs/dbraw/zinc/64/02/79/375640279.db2.gz AIIWAZDZNVMWRI-QMMMGPOBSA-N -1 0 308.356 -0.479 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])cn1C ZINC000054053871 375640327 /nfs/dbraw/zinc/64/03/27/375640327.db2.gz JIGBGCPTAYYZIL-SSDOTTSWSA-N -1 0 303.340 -0.522 20 0 DBADRM CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1(C)C ZINC000643168633 375688552 /nfs/dbraw/zinc/68/85/52/375688552.db2.gz SAQSINFPFUEPSG-OPRDCNLKSA-N -1 0 314.338 -0.772 20 0 DBADRM CC[C@H](CSC)N(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591569842 375719441 /nfs/dbraw/zinc/71/94/41/375719441.db2.gz VBGWKDNPHOZQQA-NXEZZACHSA-N -1 0 318.395 -0.102 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000617005163 375697196 /nfs/dbraw/zinc/69/71/96/375697196.db2.gz VLOYMSHPUMTBES-UHFFFAOYSA-N -1 0 317.305 -0.186 20 0 DBADRM Cc1cscc1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643169234 375699326 /nfs/dbraw/zinc/69/93/26/375699326.db2.gz GXIFNBYZAUWWGY-SNVBAGLBSA-N -1 0 312.347 -0.015 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000643169780 375702683 /nfs/dbraw/zinc/70/26/83/375702683.db2.gz BVKROODVZGKPKC-YFKTTZPYSA-N -1 0 322.361 -0.007 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCCc2nnnn2C)c1 ZINC000591774148 375745549 /nfs/dbraw/zinc/74/55/49/375745549.db2.gz WUYOYMFZGOXZCE-QFIPXVFZSA-N -1 0 323.378 -0.315 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N2C[C@H](O)C[C@H](O)C2)c1 ZINC000591770087 375746141 /nfs/dbraw/zinc/74/61/41/375746141.db2.gz DWGHEPDHDSXEHJ-FLCAKIMKSA-N -1 0 313.375 -0.243 20 0 DBADRM COC(=O)C1CCC(NC(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC000592440220 375803971 /nfs/dbraw/zinc/80/39/71/375803971.db2.gz HOJHUADTORERMG-UHFFFAOYSA-N -1 0 314.338 -0.185 20 0 DBADRM COCCN(C)S(=O)(=O)NCCSC[C@@H](C)C(=O)[O-] ZINC000592447884 375804355 /nfs/dbraw/zinc/80/43/55/375804355.db2.gz HESIVMNHSFCYIX-SECBINFHSA-N -1 0 314.429 -0.147 20 0 DBADRM C[C@@H](CSCCNC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000592448911 375804578 /nfs/dbraw/zinc/80/45/78/375804578.db2.gz GAXUGKNMYXBFDC-VIFPVBQESA-N -1 0 324.424 -0.120 20 0 DBADRM CC1(C)SC[C@H]1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643172749 375813569 /nfs/dbraw/zinc/81/35/69/375813569.db2.gz VPEVGJQCBUDSPQ-JGVFFNPUSA-N -1 0 302.352 -0.691 20 0 DBADRM CC1(C)SC[C@@H]1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643172750 375813601 /nfs/dbraw/zinc/81/36/01/375813601.db2.gz VPEVGJQCBUDSPQ-SFYZADRCSA-N -1 0 302.352 -0.691 20 0 DBADRM CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643172708 375814222 /nfs/dbraw/zinc/81/42/22/375814222.db2.gz NTYWVXZOJRZSHA-GMTAPVOTSA-N -1 0 314.338 -0.628 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N(CC(=O)[O-])CC1CC1 ZINC000593222659 375851207 /nfs/dbraw/zinc/85/12/07/375851207.db2.gz RDADYSCDEZURAC-UHFFFAOYSA-N -1 0 308.356 -0.477 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000593925216 375897621 /nfs/dbraw/zinc/89/76/21/375897621.db2.gz RQOKNRHFEDHDFY-UHFFFAOYSA-N -1 0 309.278 -0.730 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)[C@@H](C)NS(C)(=O)=O)[n-]1 ZINC000593901908 375898708 /nfs/dbraw/zinc/89/87/08/375898708.db2.gz XHBUSPPBFICJNA-ZCFIWIBFSA-N -1 0 304.328 -0.537 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)[C@@H]2CCS(=O)(=O)N2)[n-]1 ZINC000593902096 375899780 /nfs/dbraw/zinc/89/97/80/375899780.db2.gz ZQRHGQKBAMXUPX-LURJTMIESA-N -1 0 302.312 -0.783 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)C(=O)N2CCC[C@H](O)C2)c1 ZINC000643179356 375905299 /nfs/dbraw/zinc/90/52/99/375905299.db2.gz AJUZPMJLJCLYJX-LBPRGKRZSA-N -1 0 306.318 -0.016 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)Cn2nc(C)n(C)c2=O)[n-]1 ZINC000594019413 375905562 /nfs/dbraw/zinc/90/55/62/375905562.db2.gz KSBPZHBUNZNUAB-UHFFFAOYSA-N -1 0 308.298 -0.571 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2ccccc2[O-])C1 ZINC000594797043 375952860 /nfs/dbraw/zinc/95/28/60/375952860.db2.gz RVNKYNKJXUBACF-NXEZZACHSA-N -1 0 315.347 -0.063 20 0 DBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000594779722 375956191 /nfs/dbraw/zinc/95/61/91/375956191.db2.gz RBNZAUOGFRXQMN-UTLUCORTSA-N -1 0 313.347 -0.532 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCCCC(=O)[O-] ZINC000594461782 375932200 /nfs/dbraw/zinc/93/22/00/375932200.db2.gz GHLPZZPUAMKKMZ-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)[C@]1(C)CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000594544918 375933844 /nfs/dbraw/zinc/93/38/44/375933844.db2.gz OUWCHMWLASBQJF-LKFCYVNXSA-N -1 0 314.338 -0.375 20 0 DBADRM CCOC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000594544401 375933926 /nfs/dbraw/zinc/93/39/26/375933926.db2.gz KJAADRPCCMLTHD-ZJUUUORDSA-N -1 0 314.338 -0.375 20 0 DBADRM COC(=O)[C@]1(C)CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000594544921 375934037 /nfs/dbraw/zinc/93/40/37/375934037.db2.gz OUWCHMWLASBQJF-YMTOWFKASA-N -1 0 314.338 -0.375 20 0 DBADRM COC(=O)CC1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000594544878 375934810 /nfs/dbraw/zinc/93/48/10/375934810.db2.gz NRLYYYDQNSFVSN-SECBINFHSA-N -1 0 314.338 -0.375 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000594547012 375934880 /nfs/dbraw/zinc/93/48/80/375934880.db2.gz ZITKKQRAPHHQHJ-ISVAXAHUSA-N -1 0 300.311 -0.765 20 0 DBADRM CCOC(=O)C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000594530820 375935521 /nfs/dbraw/zinc/93/55/21/375935521.db2.gz VBJHSFSJCJKGKM-DTWKUNHWSA-N -1 0 302.327 -0.471 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000594529945 375936138 /nfs/dbraw/zinc/93/61/38/375936138.db2.gz VNMHMUAVGIAJLW-HLTSFMKQSA-N -1 0 317.342 -0.537 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000594529874 375936479 /nfs/dbraw/zinc/93/64/79/375936479.db2.gz NQBMMVMDJPATTJ-XHNCKOQMSA-N -1 0 300.311 -0.719 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](CCF)C(=O)[O-] ZINC000594574053 375937736 /nfs/dbraw/zinc/93/77/36/375937736.db2.gz YBOLSDVUJSHPGA-SSDOTTSWSA-N -1 0 300.308 -0.872 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000594684981 375941289 /nfs/dbraw/zinc/94/12/89/375941289.db2.gz SDHWAIPHYKOIIL-BXKDBHETSA-N -1 0 321.351 -0.698 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H](OC)C1CCCC1 ZINC000594768948 375949716 /nfs/dbraw/zinc/94/97/16/375949716.db2.gz YXUHWIZCHKGXEE-QWRGUYRKSA-N -1 0 309.384 -0.355 20 0 DBADRM CCN(C(=O)CSCC(=O)N1CCOCC1)[C@@H](C)C(=O)[O-] ZINC000595280805 375991434 /nfs/dbraw/zinc/99/14/34/375991434.db2.gz JCYZPJFTKCMVJX-JTQLQIEISA-N -1 0 318.395 -0.100 20 0 DBADRM COC(=O)[C@@H](CC(C)C)NC(=O)CN(C)Cc1n[n-]c(=O)o1 ZINC000595548258 376015393 /nfs/dbraw/zinc/01/53/93/376015393.db2.gz UWMWYNDCTFSEPM-SECBINFHSA-N -1 0 314.342 -0.089 20 0 DBADRM COC(=O)[C@@H](NC(=O)CN(C)Cc1n[n-]c(=O)o1)C(C)C ZINC000595547830 376016098 /nfs/dbraw/zinc/01/60/98/376016098.db2.gz XITIOMFOXFWKJV-JTQLQIEISA-N -1 0 300.315 -0.479 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN(C)Cc1n[n-]c(=O)o1)C(=O)OC ZINC000595552400 376016112 /nfs/dbraw/zinc/01/61/12/376016112.db2.gz UXGXZAOZSOSFHC-KWQFWETISA-N -1 0 314.342 -0.089 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN(C)Cc1n[n-]c(=O)o1)C(=O)OC ZINC000595552398 376016298 /nfs/dbraw/zinc/01/62/98/376016298.db2.gz UXGXZAOZSOSFHC-GZMMTYOYSA-N -1 0 314.342 -0.089 20 0 DBADRM COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000595237366 375984494 /nfs/dbraw/zinc/98/44/94/375984494.db2.gz BTEMUQZIWNZAET-ZETCQYMHSA-N -1 0 309.278 -0.356 20 0 DBADRM COC(=O)C1(CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC000595238467 375984673 /nfs/dbraw/zinc/98/46/73/375984673.db2.gz TUEDEIRSDJQGCS-UHFFFAOYSA-N -1 0 321.289 -0.212 20 0 DBADRM COC(=O)C(C)(C)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000595238770 375985780 /nfs/dbraw/zinc/98/57/80/375985780.db2.gz WUPSXQCMDAKCRL-UHFFFAOYSA-N -1 0 309.278 -0.214 20 0 DBADRM CCOC(=O)Cn1[n-]c(C)c(C(=O)NC[C@@H]2CCCO2)c1=O ZINC000596010510 376058749 /nfs/dbraw/zinc/05/87/49/376058749.db2.gz SNIAVMUIYRAZBZ-CMPLNLGQSA-N -1 0 311.338 -0.321 20 0 DBADRM COC(=O)c1cn(CC(=O)NC[C@@H](C(=O)[O-])C2CCC2)nn1 ZINC000596004064 376059313 /nfs/dbraw/zinc/05/93/13/376059313.db2.gz UNULMLOVWVWELV-SECBINFHSA-N -1 0 310.310 -0.318 20 0 DBADRM COC(=O)C[C@@H](C)N1CCN(C(=O)[C@](C)(OC)C(=O)[O-])CC1 ZINC000595994372 376064451 /nfs/dbraw/zinc/06/44/51/376064451.db2.gz HQMVFXCYEDUEHR-YGRLFVJLSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])C[C@@H]1C ZINC000595999239 376066662 /nfs/dbraw/zinc/06/66/62/376066662.db2.gz KTMKJRXDVGHHRY-IINYFYTJSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)c1oc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc1C ZINC000596033257 376066997 /nfs/dbraw/zinc/06/69/97/376066997.db2.gz RYEOJULPFPKGIQ-SSDOTTSWSA-N -1 0 321.307 -0.511 20 0 DBADRM COC(=O)C[C@@H](C)N1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000597327765 376126733 /nfs/dbraw/zinc/12/67/33/376126733.db2.gz CEZLFCCGZDMCTO-SNVBAGLBSA-N -1 0 310.354 -0.165 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597495147 376142735 /nfs/dbraw/zinc/14/27/35/376142735.db2.gz ALRHQGMWUFJSQN-ZDVLTJLQSA-N -1 0 320.392 -0.464 20 0 DBADRM CCOC(=O)[C@@](C)(O)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000597500252 376144402 /nfs/dbraw/zinc/14/44/02/376144402.db2.gz ATIOEIZKNJQRNQ-ZDUSSCGKSA-N -1 0 309.278 -0.028 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)cc1C(N)=O ZINC000054505176 376226744 /nfs/dbraw/zinc/22/67/44/376226744.db2.gz ZYQGHRJUPGUIOD-VIFPVBQESA-N -1 0 301.324 -0.735 20 0 DBADRM CCN1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)no2)CC1=O ZINC000599320153 376281401 /nfs/dbraw/zinc/28/14/01/376281401.db2.gz CXFPMMPTURQPLN-SSDOTTSWSA-N -1 0 317.323 -0.640 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C2(CO)CC2)on1 ZINC000599350932 376281610 /nfs/dbraw/zinc/28/16/10/376281610.db2.gz BMTCAZGIXQIRKM-SSDOTTSWSA-N -1 0 304.324 -0.100 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CCO)CSC)on1 ZINC000599245100 376258716 /nfs/dbraw/zinc/25/87/16/376258716.db2.gz PXEYBMKCQCCMFU-ZETCQYMHSA-N -1 0 324.380 -0.147 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C[S@](C)=O)on1 ZINC000599274807 376268273 /nfs/dbraw/zinc/26/82/73/376268273.db2.gz DMELJCIDFOALMY-QQOXFEPMSA-N -1 0 310.353 -0.494 20 0 DBADRM CCO[C@@H](CS(=O)(=O)[N-][C@H](COC)C(=O)OC)C1CC1 ZINC000599273940 376268925 /nfs/dbraw/zinc/26/89/25/376268925.db2.gz KPUDRRKTNHRMGA-MNOVXSKESA-N -1 0 309.384 -0.091 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@]2(OC)CCOC2)on1 ZINC000599280824 376269911 /nfs/dbraw/zinc/26/99/11/376269911.db2.gz UJSPDHLDJKQCJG-NSHDSACASA-N -1 0 320.323 -0.455 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC2([S@@](C)=O)CC2)on1 ZINC000599299019 376270732 /nfs/dbraw/zinc/27/07/32/376270732.db2.gz DRESVFCMSMOBDL-LJQANCHMSA-N -1 0 322.364 -0.349 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C(=O)NCC[C@@H]2C)on1 ZINC000599300446 376271688 /nfs/dbraw/zinc/27/16/88/376271688.db2.gz YWIHQGMQMOCQQQ-IMTBSYHQSA-N -1 0 317.323 -0.736 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C(=O)NCC[C@H]2C)on1 ZINC000599300447 376272448 /nfs/dbraw/zinc/27/24/48/376272448.db2.gz YWIHQGMQMOCQQQ-MUWHJKNJSA-N -1 0 317.323 -0.736 20 0 DBADRM CCN1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)no2)C1=O ZINC000599303601 376272808 /nfs/dbraw/zinc/27/28/08/376272808.db2.gz MYZPPEBFUTVEJR-ZETCQYMHSA-N -1 0 317.323 -0.640 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2nnc(C)[nH]2)on1 ZINC000599308562 376274543 /nfs/dbraw/zinc/27/45/43/376274543.db2.gz SKXZKJFWKPYRES-YFKPBYRVSA-N -1 0 315.311 -0.073 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C2COCCOC2)on1 ZINC000599311429 376274594 /nfs/dbraw/zinc/27/45/94/376274594.db2.gz HRLIXWSDSNMQEY-UHFFFAOYSA-N -1 0 306.296 -0.845 20 0 DBADRM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599315995 376274725 /nfs/dbraw/zinc/27/47/25/376274725.db2.gz YUPLULPNUOPKNR-NSHDSACASA-N -1 0 322.339 -0.473 20 0 DBADRM COCCN(C)CC[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599288050 376276209 /nfs/dbraw/zinc/27/62/09/376276209.db2.gz PHSYNEFOXDBSQJ-UHFFFAOYSA-N -1 0 321.355 -0.682 20 0 DBADRM COC[C@H](CC[N-]S(=O)(=O)c1cc(C(=O)OC)no1)OC ZINC000599338166 376277602 /nfs/dbraw/zinc/27/76/02/376277602.db2.gz QBRIRTOLOHKESR-QMMMGPOBSA-N -1 0 322.339 -0.209 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)on1 ZINC000599338589 376277683 /nfs/dbraw/zinc/27/76/83/376277683.db2.gz DYTIXMWOFMGQLF-NSHDSACASA-N -1 0 320.323 -0.719 20 0 DBADRM CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2nnn[n-]2)c1 ZINC000599334323 376282912 /nfs/dbraw/zinc/28/29/12/376282912.db2.gz LNWSSMPXNZLDLO-UHFFFAOYSA-N -1 0 324.366 -0.184 20 0 DBADRM CCn1ncnc1C[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599294283 376278117 /nfs/dbraw/zinc/27/81/17/376278117.db2.gz FADXAQJQGQFRSC-UHFFFAOYSA-N -1 0 315.311 -0.449 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@]2(O)CCO[C@@H]2C)on1 ZINC000599292702 376278167 /nfs/dbraw/zinc/27/81/67/376278167.db2.gz LDHNGWWHYBIECS-RDDDGLTNSA-N -1 0 320.323 -0.721 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)N=c1nc(SC)[n-]s1 ZINC000599758004 376332838 /nfs/dbraw/zinc/33/28/38/376332838.db2.gz OVROSOLFKUKTQD-YFKPBYRVSA-N -1 0 306.369 -0.273 20 0 DBADRM CS(=O)(=O)c1nc(C(=O)NCc2nnn[n-]2)c2ccccn21 ZINC000599334715 376283726 /nfs/dbraw/zinc/28/37/26/376283726.db2.gz QBKNPIWWKMHWTF-UHFFFAOYSA-N -1 0 321.322 -0.819 20 0 DBADRM CCn1nncc1CNS(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599358227 376285250 /nfs/dbraw/zinc/28/52/50/376285250.db2.gz BBYSUKWTIRCYDH-UHFFFAOYSA-N -1 0 315.311 -0.449 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC000057933746 376285799 /nfs/dbraw/zinc/28/57/99/376285799.db2.gz NFQFSBJYQURSAQ-UHFFFAOYSA-N -1 0 313.335 -0.503 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCCO2)on1 ZINC000599392021 376290717 /nfs/dbraw/zinc/29/07/17/376290717.db2.gz OXVKNLYWICFLPS-IUCAKERBSA-N -1 0 320.323 -0.721 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000062084559 376406464 /nfs/dbraw/zinc/40/64/64/376406464.db2.gz JZAQOOBMEGAIMQ-SNVBAGLBSA-N -1 0 319.383 -0.520 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)c[nH]1 ZINC000069142209 376551565 /nfs/dbraw/zinc/55/15/65/376551565.db2.gz RIKMPSWNYUVMST-SSDOTTSWSA-N -1 0 322.364 -0.432 20 0 DBADRM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000070073068 376554169 /nfs/dbraw/zinc/55/41/69/376554169.db2.gz PVBUZXVHMILPBD-SECBINFHSA-N -1 0 312.347 -0.177 20 0 DBADRM O=C([O-])C1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000071173313 376605920 /nfs/dbraw/zinc/60/59/20/376605920.db2.gz RJLWOLQZBRGIEM-UHFFFAOYSA-N -1 0 312.303 -0.277 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC(C(=O)[O-])C1 ZINC000071173255 376606299 /nfs/dbraw/zinc/60/62/99/376606299.db2.gz TUMIKELPTKDCGB-VIFPVBQESA-N -1 0 306.340 -0.725 20 0 DBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)Cn1cncn1 ZINC000603812875 376577651 /nfs/dbraw/zinc/57/76/51/376577651.db2.gz DHIIZVWSDOIXAP-UHFFFAOYSA-N -1 0 301.310 -0.040 20 0 DBADRM NC(=O)c1cc(C(=O)NCc2nnn[n-]2)nn1-c1ccccc1 ZINC000604868191 376667626 /nfs/dbraw/zinc/66/76/26/376667626.db2.gz NUTVFCYELGPHPU-UHFFFAOYSA-N -1 0 312.293 -0.586 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000055311195 376618710 /nfs/dbraw/zinc/61/87/10/376618710.db2.gz FDIIEZJBNSFDIU-SSDOTTSWSA-N -1 0 323.348 -0.248 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1nnnn1-c1ccccc1 ZINC000604606735 376643082 /nfs/dbraw/zinc/64/30/82/376643082.db2.gz DJRQDGBKIUTYPR-ZETCQYMHSA-N -1 0 300.282 -0.023 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)c2ccc(C(=O)[O-])nc2)cn1 ZINC000617158298 376732558 /nfs/dbraw/zinc/73/25/58/376732558.db2.gz PZLNXGJMCQEQTQ-UHFFFAOYSA-N -1 0 303.278 -0.025 20 0 DBADRM Cc1noc(CNS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000038034395 376735335 /nfs/dbraw/zinc/73/53/35/376735335.db2.gz WOOSDJVWUDXUFF-QMMMGPOBSA-N -1 0 304.328 -0.491 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000262163459 376781093 /nfs/dbraw/zinc/78/10/93/376781093.db2.gz TWUSGJKDUFQVTR-SNVBAGLBSA-N -1 0 322.383 -0.594 20 0 DBADRM CN(CC(=O)N1CCC[C@H]1C(=O)[O-])c1ncnc2nc[nH]c21 ZINC000262194690 376785044 /nfs/dbraw/zinc/78/50/44/376785044.db2.gz ZEXVLDBJJIEJKA-QMMMGPOBSA-N -1 0 304.310 -0.135 20 0 DBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1 ZINC000061844858 376800060 /nfs/dbraw/zinc/80/00/60/376800060.db2.gz OUZUMYRGULLMIG-UHFFFAOYSA-N -1 0 317.352 -0.486 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000262380188 376845855 /nfs/dbraw/zinc/84/58/55/376845855.db2.gz IHCNVTKLHMSMTN-VHSXEESVSA-N -1 0 304.368 -0.457 20 0 DBADRM CC(C)C[C@@H](CNC(=O)NCCNS(C)(=O)=O)C(=O)[O-] ZINC000094705177 376858941 /nfs/dbraw/zinc/85/89/41/376858941.db2.gz XNJCMVWCXXYBFY-VIFPVBQESA-N -1 0 309.388 -0.418 20 0 DBADRM C[C@@H]1C(=O)CC[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C1(C)C ZINC000408483239 296251427 /nfs/dbraw/zinc/25/14/27/296251427.db2.gz BMJVFTYOZSXDFV-SFYZADRCSA-N -1 0 304.368 -0.441 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCCSCC(=O)[O-])o1 ZINC000262418329 376909206 /nfs/dbraw/zinc/90/92/06/376909206.db2.gz PREDIBQZIBQCKH-UHFFFAOYSA-N -1 0 322.364 -0.265 20 0 DBADRM O=C([O-])CSCCNC(=O)CCn1nc2ccccn2c1=O ZINC000262435077 376925995 /nfs/dbraw/zinc/92/59/95/376925995.db2.gz SUSHCDFUOSXIED-UHFFFAOYSA-N -1 0 324.362 -0.180 20 0 DBADRM CN(C)C(=O)NCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000124431348 376940929 /nfs/dbraw/zinc/94/09/29/376940929.db2.gz AWRAZCKRWLYUHZ-UHFFFAOYSA-N -1 0 315.351 -0.066 20 0 DBADRM CCCc1nc(=NC(=O)CN2CCCS2(=O)=O)s[n-]1 ZINC000338643528 376953616 /nfs/dbraw/zinc/95/36/16/376953616.db2.gz HYPPBZIEZWNSMD-UHFFFAOYSA-N -1 0 304.397 -0.114 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000262481705 376953845 /nfs/dbraw/zinc/95/38/45/376953845.db2.gz KOBHLBGHRZTDKQ-SNVBAGLBSA-N -1 0 301.343 -0.898 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)[C@@H](O)Cc2cnn(C)c2)s[n-]1 ZINC000338931045 376996305 /nfs/dbraw/zinc/99/63/05/376996305.db2.gz YNZXVICWMIWYPT-CBAPKCEASA-N -1 0 311.367 -0.057 20 0 DBADRM O=c1[n-]c([C@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)n[nH]1 ZINC000338992409 377000995 /nfs/dbraw/zinc/00/09/95/377000995.db2.gz MINRWGKPNDHVJM-VIFPVBQESA-N -1 0 317.371 -0.733 20 0 DBADRM CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1OC)C(=O)[O-] ZINC000262991379 377108435 /nfs/dbraw/zinc/10/84/35/377108435.db2.gz OMSAHHCYRHRWOH-SECBINFHSA-N -1 0 316.335 -0.064 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000531747773 377081232 /nfs/dbraw/zinc/08/12/32/377081232.db2.gz UGBCCYXHLCQUEI-UHFFFAOYSA-N -1 0 307.368 -0.098 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000262642470 377095438 /nfs/dbraw/zinc/09/54/38/377095438.db2.gz HQHQMHMDGNIDQQ-JTQLQIEISA-N -1 0 324.399 -0.442 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000262880603 377102464 /nfs/dbraw/zinc/10/24/64/377102464.db2.gz LMLQJIBMHHMHEB-VIFPVBQESA-N -1 0 315.351 -0.319 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000262899783 377103826 /nfs/dbraw/zinc/10/38/26/377103826.db2.gz PTTRZJJNABOTAD-PSASIEDQSA-N -1 0 300.336 -0.134 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CNC(=O)NC2CCCCC2)CCO1 ZINC000262902400 377104214 /nfs/dbraw/zinc/10/42/14/377104214.db2.gz BQIRUYHTHITKQB-LLVKDONJSA-N -1 0 313.354 -0.070 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000411094003 377128321 /nfs/dbraw/zinc/12/83/21/377128321.db2.gz CYXDCGLCJRJZPN-ZETCQYMHSA-N -1 0 308.342 -0.250 20 0 DBADRM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NC1(C(=O)[O-])CC1 ZINC000263155551 377134804 /nfs/dbraw/zinc/13/48/04/377134804.db2.gz MXSHILIVCIAYJC-UHFFFAOYSA-N -1 0 317.301 -0.187 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cncc(N2CCOCC2)c1 ZINC000339851105 377135173 /nfs/dbraw/zinc/13/51/73/377135173.db2.gz VEGHSKOZPXONBZ-UHFFFAOYSA-N -1 0 304.310 -0.328 20 0 DBADRM C[C@H]([C@H](C)N(C)S(=O)(=O)CCCC(=O)[O-])S(C)(=O)=O ZINC000571281303 377165520 /nfs/dbraw/zinc/16/55/20/377165520.db2.gz PRTRMJPZJJQZKL-DTWKUNHWSA-N -1 0 315.413 -0.066 20 0 DBADRM CC(=O)N(C)CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000263226555 377178220 /nfs/dbraw/zinc/17/82/20/377178220.db2.gz ASNIXNREPOOEQC-JTQLQIEISA-N -1 0 301.343 -0.804 20 0 DBADRM CS(=O)(=O)NCCNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000262161486 377267051 /nfs/dbraw/zinc/26/70/51/377267051.db2.gz PPKMRUUOPUNHKZ-UHFFFAOYSA-N -1 0 316.335 -0.571 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)C[C@H](OC)C2CC2)CCOC1 ZINC000571399778 377217892 /nfs/dbraw/zinc/21/78/92/377217892.db2.gz FZCIHXLZYVJCGX-JQWIXIFHSA-N -1 0 307.368 -0.337 20 0 DBADRM Cc1n[nH]cc1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000038011296 182962875 /nfs/dbraw/zinc/96/28/75/182962875.db2.gz BZBJXSZVKYNHHE-UHFFFAOYSA-N -1 0 302.356 -0.151 20 0 DBADRM Cc1c(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)cnn1C ZINC000291806494 377224304 /nfs/dbraw/zinc/22/43/04/377224304.db2.gz CBDMCRYNGPNGAH-UHFFFAOYSA-N -1 0 317.367 -0.112 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(CC)CC(=O)[O-])C1 ZINC000038016929 182964906 /nfs/dbraw/zinc/96/49/06/182964906.db2.gz QDVLDCGJDVQHQF-JTQLQIEISA-N -1 0 322.383 -0.087 20 0 DBADRM COc1ccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])nn1 ZINC000263285666 377231628 /nfs/dbraw/zinc/23/16/28/377231628.db2.gz PLRKIQRHBUPDAI-JTQLQIEISA-N -1 0 324.337 -0.170 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1=O ZINC000262192787 377268400 /nfs/dbraw/zinc/26/84/00/377268400.db2.gz GHDBTOSQPOXCDL-RMLUDKJBSA-N -1 0 323.305 -0.880 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCC(=O)[O-] ZINC000262319191 377270246 /nfs/dbraw/zinc/27/02/46/377270246.db2.gz QKTKQRMNGBMOMK-UHFFFAOYSA-N -1 0 316.335 -0.063 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(C2CCOCC2)c1)C(=O)[O-] ZINC000261662130 377258449 /nfs/dbraw/zinc/25/84/49/377258449.db2.gz JHSISFPSKHLCAZ-QMMMGPOBSA-N -1 0 303.340 -0.014 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000261627087 377258505 /nfs/dbraw/zinc/25/85/05/377258505.db2.gz DCUDDDALZHQFNW-LURJTMIESA-N -1 0 312.303 -0.336 20 0 DBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)NCCC(=O)[O-])c1 ZINC000261618121 377259135 /nfs/dbraw/zinc/25/91/35/377259135.db2.gz BIZSIVGBVOXEFU-UHFFFAOYSA-N -1 0 322.364 -0.652 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000261627091 377260177 /nfs/dbraw/zinc/26/01/77/377260177.db2.gz DCUDDDALZHQFNW-ZCFIWIBFSA-N -1 0 312.303 -0.336 20 0 DBADRM CN(CC(=O)N(CC(=O)[O-])Cc1ccccc1)S(C)(=O)=O ZINC000262072025 377265933 /nfs/dbraw/zinc/26/59/33/377265933.db2.gz AKVANJVMHDPXOS-UHFFFAOYSA-N -1 0 314.363 -0.009 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000262032953 377266102 /nfs/dbraw/zinc/26/61/02/377266102.db2.gz BGMBERQAAFSICV-QPUJVOFHSA-N -1 0 302.352 -0.342 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c1=O ZINC000263473289 377276759 /nfs/dbraw/zinc/27/67/59/377276759.db2.gz SHFHVJWYTJPNPK-MNOVXSKESA-N -1 0 323.349 -0.303 20 0 DBADRM CCN1CCN(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)C(=O)C1=O ZINC000262696537 377278449 /nfs/dbraw/zinc/27/84/49/377278449.db2.gz XTMNEAKBSZIXJJ-SNVBAGLBSA-N -1 0 311.338 -1.000 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCC1(C(=O)[O-])CC1 ZINC000263482377 377278601 /nfs/dbraw/zinc/27/86/01/377278601.db2.gz UUFLYTZZVGYXFA-MRVPVSSYSA-N -1 0 306.384 -0.069 20 0 DBADRM CC(C)C(=O)N1CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000262913681 377281737 /nfs/dbraw/zinc/28/17/37/377281737.db2.gz KBCKSFWAEJGYBO-JTQLQIEISA-N -1 0 322.383 -0.784 20 0 DBADRM C[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H](C(=O)[O-])O1 ZINC000262988595 377282172 /nfs/dbraw/zinc/28/21/72/377282172.db2.gz SCUOSVAOEJFNKC-RNFRBKRXSA-N -1 0 312.244 -0.245 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000263751183 377291681 /nfs/dbraw/zinc/29/16/81/377291681.db2.gz XMZZBNXTOOLZJU-JTQLQIEISA-N -1 0 316.335 -0.678 20 0 DBADRM COC(=O)[C@H]1C[C@@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000263874976 377297350 /nfs/dbraw/zinc/29/73/50/377297350.db2.gz JSHPQDTWVASYPR-WHFBIAKZSA-N -1 0 320.352 -0.343 20 0 DBADRM COc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1 ZINC000269149073 377385152 /nfs/dbraw/zinc/38/51/52/377385152.db2.gz RDINPAHPXFJXBW-UHFFFAOYSA-N -1 0 316.335 -0.436 20 0 DBADRM COC(=O)N1CC(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000269338371 377395262 /nfs/dbraw/zinc/39/52/62/377395262.db2.gz JUEDTWGEAHOGQV-UHFFFAOYSA-N -1 0 319.277 -0.384 20 0 DBADRM C[C@H](O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000271067417 377481574 /nfs/dbraw/zinc/48/15/74/377481574.db2.gz KKEPCURIHKZVHX-YFKPBYRVSA-N -1 0 300.296 -0.905 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1cc(OC)ccc1O ZINC000271299299 377492384 /nfs/dbraw/zinc/49/23/84/377492384.db2.gz UIQKLZSUZPZLQW-UHFFFAOYSA-N -1 0 310.306 -0.109 20 0 DBADRM C[C@H](O)C(=O)N1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000271540739 377498689 /nfs/dbraw/zinc/49/86/89/377498689.db2.gz NKHHFNDMFARHMZ-ZDUSSCGKSA-N -1 0 321.377 -0.241 20 0 DBADRM NC(=O)CO[N-]C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000272067667 377514839 /nfs/dbraw/zinc/51/48/39/377514839.db2.gz BNTOAPMAWLHQCS-UHFFFAOYSA-N -1 0 319.239 -0.032 20 0 DBADRM COc1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)ccc1F ZINC000276207267 377555320 /nfs/dbraw/zinc/55/53/20/377555320.db2.gz KEXMUEPMRZSACO-LDWIPMOCSA-N -1 0 307.299 -0.053 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)[N-]OCC(N)=O)c(C)cc1C ZINC000276323487 377561049 /nfs/dbraw/zinc/56/10/49/377561049.db2.gz NTOUIHJCFFLDAZ-UHFFFAOYSA-N -1 0 323.305 -0.438 20 0 DBADRM CC(C)[C@H](C(=O)N(C)[C@H](C)C(=O)[O-])N1CCCS1(=O)=O ZINC000263559888 377574545 /nfs/dbraw/zinc/57/45/45/377574545.db2.gz BFOZHBAXLIDHBM-NXEZZACHSA-N -1 0 306.384 -0.022 20 0 DBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccco1 ZINC000277294200 377590308 /nfs/dbraw/zinc/59/03/08/377590308.db2.gz RETUYMURDYSCCS-JGVFFNPUSA-N -1 0 302.308 -0.381 20 0 DBADRM COc1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000277339163 377591940 /nfs/dbraw/zinc/59/19/40/377591940.db2.gz CUWPSXOFDORJMA-UHFFFAOYSA-N -1 0 300.336 -0.109 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000277432126 377596009 /nfs/dbraw/zinc/59/60/09/377596009.db2.gz VWBTWCMKYQUYNA-ZCFIWIBFSA-N -1 0 310.276 -0.287 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1F ZINC000278153457 377617235 /nfs/dbraw/zinc/61/72/35/377617235.db2.gz OOPUIQIKTLAABP-VIFPVBQESA-N -1 0 321.282 -0.664 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1F ZINC000278292047 377619020 /nfs/dbraw/zinc/61/90/20/377619020.db2.gz ZVZRDFNGOUCQGX-VIFPVBQESA-N -1 0 321.282 -0.664 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000278586990 377623851 /nfs/dbraw/zinc/62/38/51/377623851.db2.gz KCHFYFBDQWDHCR-ZETCQYMHSA-N -1 0 306.282 -0.361 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1CC(=O)N1CCCCCC1 ZINC000333599687 304208294 /nfs/dbraw/zinc/20/82/94/304208294.db2.gz QHCKLZNFALHZRM-SNVBAGLBSA-N -1 0 323.353 -0.345 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCc1ccccc1O ZINC000278764489 377631341 /nfs/dbraw/zinc/63/13/41/377631341.db2.gz XTDWCRBNWKRTOK-UHFFFAOYSA-N -1 0 314.363 -0.093 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)NCCc2nc(=O)o[n-]2)CC1 ZINC000279488617 377656503 /nfs/dbraw/zinc/65/65/03/377656503.db2.gz PBSVIRDCXMDGBT-UHFFFAOYSA-N -1 0 319.339 -0.832 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000280817214 377701664 /nfs/dbraw/zinc/70/16/64/377701664.db2.gz MUOZKTUKPUENKJ-HCCYBDGZSA-N -1 0 321.333 -0.533 20 0 DBADRM COC[C@H](CO)NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000280033347 377673128 /nfs/dbraw/zinc/67/31/28/377673128.db2.gz OPRYQBNWSXGZFA-VIFPVBQESA-N -1 0 302.352 -0.205 20 0 DBADRM Cc1csc2ncc(C(=O)NCCc3nc(=O)o[n-]3)c(=O)n12 ZINC000280100665 377676248 /nfs/dbraw/zinc/67/62/48/377676248.db2.gz MMXWQFMFBXBZPM-UHFFFAOYSA-N -1 0 321.318 -0.287 20 0 DBADRM O=C(Cn1cc(Br)cn1)NCCc1nc(=O)o[n-]1 ZINC000280116143 377679084 /nfs/dbraw/zinc/67/90/84/377679084.db2.gz NWXRPZSUQSQQCT-UHFFFAOYSA-N -1 0 316.115 -0.319 20 0 DBADRM COC(=O)c1cc(F)ccc1S(=O)(=O)N[C@H](C)C(N)=O ZINC000340078237 377722262 /nfs/dbraw/zinc/72/22/62/377722262.db2.gz HGNRSPDUDWIFAQ-ZCFIWIBFSA-N -1 0 304.299 -0.236 20 0 DBADRM COCC[C@@H](CO)NS(=O)(=O)c1cccc2nonc21 ZINC000281197304 377723239 /nfs/dbraw/zinc/72/32/39/377723239.db2.gz BPSHIPSRVVESIZ-QMMMGPOBSA-N -1 0 301.324 -0.102 20 0 DBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cnnn1C ZINC000281296767 377730154 /nfs/dbraw/zinc/73/01/54/377730154.db2.gz PNBJNHGTGBTRKL-UHFFFAOYSA-N -1 0 301.310 -0.302 20 0 DBADRM COc1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC000282389626 377777760 /nfs/dbraw/zinc/77/77/60/377777760.db2.gz ZGLHWQWCBMUHLF-UHFFFAOYSA-N -1 0 301.324 -0.714 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2CCCC(=O)N2)s1 ZINC000340100357 377741317 /nfs/dbraw/zinc/74/13/17/377741317.db2.gz DAPGPLWRLAILRH-YFKPBYRVSA-N -1 0 319.368 -0.483 20 0 DBADRM Cc1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1O ZINC000281955940 377757894 /nfs/dbraw/zinc/75/78/94/377757894.db2.gz DCXNYFOLKHWOIZ-UHFFFAOYSA-N -1 0 300.336 -0.104 20 0 DBADRM CCCc1nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)co1 ZINC000282015112 377761421 /nfs/dbraw/zinc/76/14/21/377761421.db2.gz JAIJPEZOLWGWAS-UHFFFAOYSA-N -1 0 303.340 -0.177 20 0 DBADRM CCOc1cccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000282266213 377770221 /nfs/dbraw/zinc/77/02/21/377770221.db2.gz USMUEIPDAVLZCS-UHFFFAOYSA-N -1 0 316.335 -0.436 20 0 DBADRM Cc1cccnc1/C=C/C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000282317001 377772854 /nfs/dbraw/zinc/77/28/54/377772854.db2.gz UJOUFOUMMZNVFU-AATRIKPKSA-N -1 0 311.363 -0.015 20 0 DBADRM Cc1ccncc1/C=C/C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000282347124 377774341 /nfs/dbraw/zinc/77/43/41/377774341.db2.gz WPWGLMWTJAUMOE-ONEGZZNKSA-N -1 0 311.363 -0.015 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000282831855 377793071 /nfs/dbraw/zinc/79/30/71/377793071.db2.gz MKXDIGPZKIROQK-UHFFFAOYSA-N -1 0 309.307 -0.442 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC000618882374 377862184 /nfs/dbraw/zinc/86/21/84/377862184.db2.gz QNJBJFWREMOAKO-HTQZYQBOSA-N -1 0 312.326 -0.390 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1C ZINC000290104037 377897380 /nfs/dbraw/zinc/89/73/80/377897380.db2.gz IXOLPSBXSHTVKZ-UHFFFAOYSA-N -1 0 315.355 -0.283 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-] ZINC000290914581 377918433 /nfs/dbraw/zinc/91/84/33/377918433.db2.gz GUBIXQMDWUNSQC-SNVBAGLBSA-N -1 0 304.324 -0.142 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-] ZINC000291012116 377920747 /nfs/dbraw/zinc/92/07/47/377920747.db2.gz UZCPJGBDCFUZNK-SECBINFHSA-N -1 0 320.323 -0.431 20 0 DBADRM C[C@@H](CO)N(C)C(=O)CNS(=O)(=O)c1ccccc1F ZINC000291664365 377931473 /nfs/dbraw/zinc/93/14/73/377931473.db2.gz VQCSMWHHJNZPTO-VIFPVBQESA-N -1 0 304.343 -0.057 20 0 DBADRM CCC(=O)C[C@@H](NS(=O)(=O)c1cnn(C)c1C)C(=O)[O-] ZINC000291870021 377938027 /nfs/dbraw/zinc/93/80/27/377938027.db2.gz LHJVMNHYWFFVCP-SECBINFHSA-N -1 0 303.340 -0.171 20 0 DBADRM COC(=O)[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1)OC ZINC000291869666 377938341 /nfs/dbraw/zinc/93/83/41/377938341.db2.gz HIWPGHMWIRUTNP-JTQLQIEISA-N -1 0 317.319 -0.149 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@H]1COC ZINC000292451350 377951052 /nfs/dbraw/zinc/95/10/52/377951052.db2.gz AOMQUYCHXLSTEL-QMMMGPOBSA-N -1 0 303.340 -0.004 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000290607383 377908612 /nfs/dbraw/zinc/90/86/12/377908612.db2.gz JDKVHGNZNWNSOX-LLVKDONJSA-N -1 0 313.331 -0.071 20 0 DBADRM CCOC[C@H](NS(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-] ZINC000290627297 377908874 /nfs/dbraw/zinc/90/88/74/377908874.db2.gz KWVWPAXGVDVMET-LURJTMIESA-N -1 0 311.747 -0.159 20 0 DBADRM COC(=O)[C@H](CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)OC ZINC000293650920 377974730 /nfs/dbraw/zinc/97/47/30/377974730.db2.gz AERBEKWCWTYQNW-LURJTMIESA-N -1 0 314.260 -0.252 20 0 DBADRM CCOC(=O)CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000299647926 378048851 /nfs/dbraw/zinc/04/88/51/378048851.db2.gz KBZDZSPCQPUKFU-UHFFFAOYSA-N -1 0 308.341 -0.199 20 0 DBADRM Cc1nn2c(SC[C@@H](C)CS(C)(=O)=O)n[n-]c2nc1=O ZINC000342078148 378081557 /nfs/dbraw/zinc/08/15/57/378081557.db2.gz RMMCSBCPPKJUKH-ZCFIWIBFSA-N -1 0 317.396 -0.106 20 0 DBADRM CCn1cnnc1CNC(=O)CNC(=O)c1ncccc1O ZINC000343161585 378145704 /nfs/dbraw/zinc/14/57/04/378145704.db2.gz VBGWNBLPPWTVFT-UHFFFAOYSA-N -1 0 304.310 -0.555 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC000328858051 378190946 /nfs/dbraw/zinc/19/09/46/378190946.db2.gz UQTVHVRJAPSWSQ-MRVPVSSYSA-N -1 0 312.355 -0.188 20 0 DBADRM CCCCN(Cc1nn(C)c(=O)[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000330727136 378259272 /nfs/dbraw/zinc/25/92/72/378259272.db2.gz GEHDFBSALLFDLD-SNVBAGLBSA-N -1 0 302.400 -0.102 20 0 DBADRM O=C(CN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)N1CCCCCC1 ZINC000092617040 378322695 /nfs/dbraw/zinc/32/26/95/378322695.db2.gz MGMCBQMZSWLUTK-UHFFFAOYSA-N -1 0 322.413 -0.382 20 0 DBADRM C[C@@H]1CCCCN1C(=O)CN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000092616780 378322709 /nfs/dbraw/zinc/32/27/09/378322709.db2.gz XZTQTOBWMMMWKA-GFCCVEGCSA-N -1 0 322.413 -0.383 20 0 DBADRM Cc1cnc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)s1 ZINC000192889921 378332982 /nfs/dbraw/zinc/33/29/82/378332982.db2.gz DRTLJOKLDBDXOZ-UHFFFAOYSA-N -1 0 316.364 -0.350 20 0 DBADRM COCC[C@@H](NC(=O)N=c1nc(SC)[n-]s1)C(N)=O ZINC000343320429 378343293 /nfs/dbraw/zinc/34/32/93/378343293.db2.gz QGJJQMVFKKXRDL-RXMQYKEDSA-N -1 0 305.385 -0.306 20 0 DBADRM C[C@]12CCC(=O)N1[C@H](C(=O)NC1(c3nnn[n-]3)CC1)CS2 ZINC000348296352 378396793 /nfs/dbraw/zinc/39/67/93/378396793.db2.gz FWJGEDWLKVQTET-CPCISQLKSA-N -1 0 308.367 -0.241 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000583499935 378403540 /nfs/dbraw/zinc/40/35/40/378403540.db2.gz GISGFHWWPNTMLK-NXEZZACHSA-N -1 0 313.354 -0.850 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)C[S@](C)=O)C1 ZINC000383855799 378411886 /nfs/dbraw/zinc/41/18/86/378411886.db2.gz QKZKWZFHXWFBIR-TVLKGPQESA-N -1 0 306.384 -0.114 20 0 DBADRM O=C(CN1CCOCC1=O)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000329169085 378463807 /nfs/dbraw/zinc/46/38/07/378463807.db2.gz JHNIVLZFVYZBJD-SECBINFHSA-N -1 0 309.326 -0.577 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000329270167 378470712 /nfs/dbraw/zinc/47/07/12/378470712.db2.gz HFRAJMHQGLGGJM-ONGNITBBSA-N -1 0 304.397 -0.030 20 0 DBADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000329270166 378471014 /nfs/dbraw/zinc/47/10/14/378471014.db2.gz HFRAJMHQGLGGJM-KFCNXOJCSA-N -1 0 304.397 -0.030 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000329270168 378471054 /nfs/dbraw/zinc/47/10/54/378471054.db2.gz HFRAJMHQGLGGJM-LKWPHKCZSA-N -1 0 304.397 -0.030 20 0 DBADRM O=C1[C@@H](NS(=O)(=O)N2CCOCC2)CN1c1ccccc1 ZINC000329350771 378476649 /nfs/dbraw/zinc/47/66/49/378476649.db2.gz WYHFXTJSBFEXHS-LBPRGKRZSA-N -1 0 311.363 -0.432 20 0 DBADRM C[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)C[C@H]1CCCCO1 ZINC000329345474 378477006 /nfs/dbraw/zinc/47/70/06/378477006.db2.gz USMBAFMBXLRNDU-HBNTYKKESA-N -1 0 311.425 -0.092 20 0 DBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCCO2)cn1C ZINC000329976930 378517262 /nfs/dbraw/zinc/51/72/62/378517262.db2.gz ZCKAUWFZPCITAO-UHFFFAOYSA-N -1 0 302.356 -0.439 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000532677650 378585407 /nfs/dbraw/zinc/58/54/07/378585407.db2.gz OWTIJSHQGNXZAP-LURJTMIESA-N -1 0 306.365 -0.131 20 0 DBADRM O=c1cc(CN2CCN(c3nc[nH]n3)CC2)nc2cc[n-]n21 ZINC000639733493 378616132 /nfs/dbraw/zinc/61/61/32/378616132.db2.gz PQYXWXPZRAWMNS-UHFFFAOYSA-N -1 0 300.326 -0.537 20 0 DBADRM COC(=O)c1ccc(C)c(NC(=O)C(=O)NCc2nnn[n-]2)c1 ZINC000609952976 378623079 /nfs/dbraw/zinc/62/30/79/378623079.db2.gz QGFCVVPXIKABJA-UHFFFAOYSA-N -1 0 318.293 -0.450 20 0 DBADRM Cc1nc(=NC(=O)CNS(=O)(=O)c2cccnc2)s[n-]1 ZINC000354585153 378741467 /nfs/dbraw/zinc/74/14/67/378741467.db2.gz HLQBRGZWBZWNHB-UHFFFAOYSA-N -1 0 313.364 -0.420 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccc(-n2cnnn2)cc1 ZINC000354076739 378707278 /nfs/dbraw/zinc/70/72/78/378707278.db2.gz XPXIMXVFYIKIHB-UHFFFAOYSA-N -1 0 301.270 -0.192 20 0 DBADRM COC[C@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000354295367 378723428 /nfs/dbraw/zinc/72/34/28/378723428.db2.gz HNTFEXJNTLWBQB-LURJTMIESA-N -1 0 314.323 -0.251 20 0 DBADRM Cc1noc(=NC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)[n-]1 ZINC000354817585 378768463 /nfs/dbraw/zinc/76/84/63/378768463.db2.gz HZDJCCRQPIXAMH-UHFFFAOYSA-N -1 0 300.278 -0.063 20 0 DBADRM CCOC1CC(O)(CNC(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC000357365661 378940067 /nfs/dbraw/zinc/94/00/67/378940067.db2.gz NZGUKEZKKPRVMU-UHFFFAOYSA-N -1 0 302.356 -0.351 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@@H]1CCCC(=O)N1 ZINC000356998976 378910607 /nfs/dbraw/zinc/91/06/07/378910607.db2.gz OGPWULXMYMUXNK-JTQLQIEISA-N -1 0 302.294 -0.025 20 0 DBADRM O=C(NCC(F)F)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000356989608 378911788 /nfs/dbraw/zinc/91/17/88/378911788.db2.gz AOGPKGMXQMOZDG-UHFFFAOYSA-N -1 0 312.236 -0.312 20 0 DBADRM O=C(CNC(=O)Cc1ccccc1)NC1(c2nnn[n-]2)CC1 ZINC000357056343 378916325 /nfs/dbraw/zinc/91/63/25/378916325.db2.gz OOJKVQPUPHTENO-UHFFFAOYSA-N -1 0 300.322 -0.336 20 0 DBADRM O=C(CNC(=O)c1cccc(O)c1)NC1(c2nnn[n-]2)CC1 ZINC000357071939 378916537 /nfs/dbraw/zinc/91/65/37/378916537.db2.gz GEIHVNGYGCGNOZ-UHFFFAOYSA-N -1 0 302.294 -0.559 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)c1cncc(N2CCOCC2)c1 ZINC000357071547 378916633 /nfs/dbraw/zinc/91/66/33/378916633.db2.gz PIZYNMLXSVFGLF-UHFFFAOYSA-N -1 0 315.337 -0.150 20 0 DBADRM O=C(CNC(=O)c1ccc(F)cc1)NC1(c2nnn[n-]2)CC1 ZINC000357066847 378916671 /nfs/dbraw/zinc/91/66/71/378916671.db2.gz HVFWGFRSIQKCMX-UHFFFAOYSA-N -1 0 304.285 -0.126 20 0 DBADRM Cc1cccn2c(=O)c(C(=O)NC3(c4nnn[n-]4)CC3)cnc12 ZINC000357096201 378921255 /nfs/dbraw/zinc/92/12/55/378921255.db2.gz MYYLGLGTGMSXOL-UHFFFAOYSA-N -1 0 311.305 -0.065 20 0 DBADRM CCN1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1=O ZINC000358380402 379034671 /nfs/dbraw/zinc/03/46/71/379034671.db2.gz HDNGDYDCKFSFCS-UHFFFAOYSA-N -1 0 301.324 -0.466 20 0 DBADRM C[C@@H](CN(C)C(=O)CNC(=O)c1ncccc1O)c1nnn[n-]1 ZINC000358400910 379036990 /nfs/dbraw/zinc/03/69/90/379036990.db2.gz ZSPNGSDPQNTIND-QMMMGPOBSA-N -1 0 319.325 -0.708 20 0 DBADRM C[C@H](CN(C)C(=O)CN1C(=O)NC(=O)C1(C)C)c1nnn[n-]1 ZINC000358398698 379037163 /nfs/dbraw/zinc/03/71/63/379037163.db2.gz WSAJBGVBGLDVQJ-SSDOTTSWSA-N -1 0 309.330 -0.908 20 0 DBADRM C[C@H](CN(C)C(=O)CC(=O)NCC(F)(F)F)c1nnn[n-]1 ZINC000358374837 379032030 /nfs/dbraw/zinc/03/20/30/379032030.db2.gz FSEMVVLDXCEHAK-ZCFIWIBFSA-N -1 0 308.264 -0.170 20 0 DBADRM CCCCO[C@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000643432563 379087741 /nfs/dbraw/zinc/08/77/41/379087741.db2.gz UJNUEOUOXKUBDW-ZJUUUORDSA-N -1 0 307.368 -0.098 20 0 DBADRM C[C@@H](CN(C)C(=O)CS(=O)(=O)C(C)(C)C)c1nnn[n-]1 ZINC000358782742 379089404 /nfs/dbraw/zinc/08/94/04/379089404.db2.gz RRXDITZZTPVUAB-QMMMGPOBSA-N -1 0 303.388 -0.025 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2nccnc2N)C1=O ZINC000358705951 379078665 /nfs/dbraw/zinc/07/86/65/379078665.db2.gz CCEQWICXXJABBB-PSASIEDQSA-N -1 0 321.337 -0.501 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)Cn2cccn2)C1=O ZINC000358712485 379079485 /nfs/dbraw/zinc/07/94/85/379079485.db2.gz KYCAVDGRPMTCOK-JQWIXIFHSA-N -1 0 308.338 -0.291 20 0 DBADRM COCCOCC(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000358715369 379081325 /nfs/dbraw/zinc/08/13/25/379081325.db2.gz RMSNIYATIFMZHY-JQWIXIFHSA-N -1 0 316.354 -0.524 20 0 DBADRM COCCOCC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000358715371 379081981 /nfs/dbraw/zinc/08/19/81/379081981.db2.gz RMSNIYATIFMZHY-PWSUYJOCSA-N -1 0 316.354 -0.524 20 0 DBADRM CCCN(CCC)C(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000643436064 379118729 /nfs/dbraw/zinc/11/87/29/379118729.db2.gz MQQHIXWTMDVTTA-NSHDSACASA-N -1 0 320.411 -0.181 20 0 DBADRM CN(C)C(=O)COc1ccccc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000359266995 379143773 /nfs/dbraw/zinc/14/37/73/379143773.db2.gz FTNOHYFYDRTBRT-UHFFFAOYSA-N -1 0 319.321 -0.093 20 0 DBADRM Cc1nn2c(SCCCS(C)(=O)=O)n[n-]c2nc1=O ZINC000359320604 379148780 /nfs/dbraw/zinc/14/87/80/379148780.db2.gz XEDHVUYYZQYGGX-UHFFFAOYSA-N -1 0 303.369 -0.352 20 0 DBADRM Cn1nnnc1SCCC(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000359523442 379172639 /nfs/dbraw/zinc/17/26/39/379172639.db2.gz JGPLRGGHAKETBF-UHFFFAOYSA-N -1 0 312.359 -0.735 20 0 DBADRM COCCN1C[C@@H](C(=O)NCCCc2n[nH]c(=O)[n-]2)CC1=O ZINC000359526678 379172774 /nfs/dbraw/zinc/17/27/74/379172774.db2.gz PXUJRJSRODQAOS-VIFPVBQESA-N -1 0 311.342 -0.946 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC(C)(C)c2nnn[n-]2)cc1 ZINC000359785600 379196805 /nfs/dbraw/zinc/19/68/05/379196805.db2.gz DXJUXWBUQVOEPM-UHFFFAOYSA-N -1 0 324.366 -0.227 20 0 DBADRM Cc1cc(C)n2nc(C(=O)NC(C)(C)c3nnn[n-]3)nc2n1 ZINC000359783509 379197051 /nfs/dbraw/zinc/19/70/51/379197051.db2.gz IHLWWESXNQJQCT-UHFFFAOYSA-N -1 0 301.314 -0.081 20 0 DBADRM CN1CCO[C@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)C1 ZINC000359981048 379216778 /nfs/dbraw/zinc/21/67/78/379216778.db2.gz JYEXROLJZMRTTB-LURJTMIESA-N -1 0 321.384 -0.821 20 0 DBADRM COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)C(=O)[O-])c1 ZINC000360412115 379263394 /nfs/dbraw/zinc/26/33/94/379263394.db2.gz DPXCTRTYQPRFFC-UHFFFAOYSA-N -1 0 321.293 -0.278 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)[N-]c2nc(OC)n[nH]2)c1 ZINC000360934749 379317359 /nfs/dbraw/zinc/31/73/59/379317359.db2.gz AVPQRTNBWVAIKU-UHFFFAOYSA-N -1 0 302.268 -0.006 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2nc(OC)n[nH]2)o1 ZINC000360936000 379318111 /nfs/dbraw/zinc/31/81/11/379318111.db2.gz ZEPUMBYWMOPOOE-UHFFFAOYSA-N -1 0 302.268 -0.006 20 0 DBADRM O=C(CS(=O)(=O)c1ncc[n-]1)NCCCN1CCCC1=O ZINC000361275912 379336440 /nfs/dbraw/zinc/33/64/40/379336440.db2.gz SECZVVOZVOBGOA-UHFFFAOYSA-N -1 0 314.367 -0.688 20 0 DBADRM NC(=O)COCCNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000362883260 379482065 /nfs/dbraw/zinc/48/20/65/379482065.db2.gz PYEHPWPJWKGQNL-UHFFFAOYSA-N -1 0 304.306 -0.190 20 0 DBADRM C[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)N(C)CC(F)(F)F ZINC000369141603 379568614 /nfs/dbraw/zinc/56/86/14/379568614.db2.gz CSWZDYUWXKFAGJ-SFYZADRCSA-N -1 0 322.291 -0.018 20 0 DBADRM C[C@@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)N(C)CC(F)(F)F ZINC000369141604 379570145 /nfs/dbraw/zinc/57/01/45/379570145.db2.gz CSWZDYUWXKFAGJ-YUMQZZPRSA-N -1 0 322.291 -0.018 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCC1 ZINC000582334527 379631285 /nfs/dbraw/zinc/63/12/85/379631285.db2.gz SRXIBVWYRRZILB-UHFFFAOYSA-N -1 0 323.367 -0.308 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000390315384 379636316 /nfs/dbraw/zinc/63/63/16/379636316.db2.gz HAMMFNOBCFMSBC-LLVKDONJSA-N -1 0 307.372 -0.522 20 0 DBADRM Cc1ccc(CN(C)C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)o1 ZINC000643452889 379639398 /nfs/dbraw/zinc/63/93/98/379639398.db2.gz UIJNDJWTSXIZLQ-NSHDSACASA-N -1 0 310.306 -0.142 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000370542491 379611969 /nfs/dbraw/zinc/61/19/69/379611969.db2.gz BBERVLRNHQDPML-SSDOTTSWSA-N -1 0 321.742 -0.209 20 0 DBADRM Cc1noc(CCNS(=O)(=O)c2cccnc2C(=O)[O-])n1 ZINC000582299324 379618126 /nfs/dbraw/zinc/61/81/26/379618126.db2.gz HGNIKAFVNFUWGT-UHFFFAOYSA-N -1 0 312.307 -0.008 20 0 DBADRM CN(C[C@H]1CCCCO1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643457044 379684874 /nfs/dbraw/zinc/68/48/74/379684874.db2.gz HNLRUGRSZJWEKC-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@H]1CSCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643459465 379697255 /nfs/dbraw/zinc/69/72/55/379697255.db2.gz YUNGRBQYSMJCDK-DTWKUNHWSA-N -1 0 302.352 -0.738 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000377561582 379683103 /nfs/dbraw/zinc/68/31/03/379683103.db2.gz IGYKOAKYPSZWLR-QMMMGPOBSA-N -1 0 313.310 -0.981 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000643461097 379708610 /nfs/dbraw/zinc/70/86/10/379708610.db2.gz QSHFLJLENNDUMN-XHDPSFHLSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C3CC3)C2)C[C@H]1C(=O)[O-] ZINC000643461178 379709260 /nfs/dbraw/zinc/70/92/60/379709260.db2.gz MGJRBPXRKJNXOY-YUSALJHKSA-N -1 0 310.350 -0.197 20 0 DBADRM Cc1cccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000192887683 379794778 /nfs/dbraw/zinc/79/47/78/379794778.db2.gz NTTOPJHJEZESFX-UHFFFAOYSA-N -1 0 310.335 -0.412 20 0 DBADRM C[C@@H]1CSCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000643463772 379798075 /nfs/dbraw/zinc/79/80/75/379798075.db2.gz HLUAVAQAOAOPNZ-UWVGGRQHSA-N -1 0 316.379 -0.490 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H](O)C(F)F ZINC000231518536 379778176 /nfs/dbraw/zinc/77/81/76/379778176.db2.gz HAHXZGNDNBWRDU-SCSAIBSYSA-N -1 0 316.307 -0.166 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC([C@H]3CCOC3)C2)C1 ZINC000633068843 379780946 /nfs/dbraw/zinc/78/09/46/379780946.db2.gz ZDHTZWOBNFZDIO-QWRGUYRKSA-N -1 0 310.350 -0.196 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000230104727 379868167 /nfs/dbraw/zinc/86/81/67/379868167.db2.gz QSTSVCZMQFRBFF-VIFPVBQESA-N -1 0 304.280 -0.027 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)[O-] ZINC000230097208 379868339 /nfs/dbraw/zinc/86/83/39/379868339.db2.gz MCGHZQMSUMHDGO-VHSXEESVSA-N -1 0 322.383 -0.041 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)CC[C@H]2CCCO2)CCOC1 ZINC000610760161 379834683 /nfs/dbraw/zinc/83/46/83/379834683.db2.gz XSZOTOCAFXXLTN-PWSUYJOCSA-N -1 0 307.368 -0.193 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)CC[C@@H]2CCCO2)CCOC1 ZINC000610760160 379835407 /nfs/dbraw/zinc/83/54/07/379835407.db2.gz XSZOTOCAFXXLTN-JQWIXIFHSA-N -1 0 307.368 -0.193 20 0 DBADRM COC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])[C@@H]1CCCO1 ZINC000584781428 379844297 /nfs/dbraw/zinc/84/42/97/379844297.db2.gz NTWHPTZHCUTRPI-ZJUUUORDSA-N -1 0 302.327 -0.722 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)O)C[C@H]1C(=O)[O-] ZINC000584782690 379844369 /nfs/dbraw/zinc/84/43/69/379844369.db2.gz UCJZNFCPNUXYAC-VHSXEESVSA-N -1 0 300.355 -0.215 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC000584823721 379847154 /nfs/dbraw/zinc/84/71/54/379847154.db2.gz SJAPJOUZNVGRMP-UWVGGRQHSA-N -1 0 312.388 -0.475 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-] ZINC000584823722 379848068 /nfs/dbraw/zinc/84/80/68/379848068.db2.gz SJAPJOUZNVGRMP-VHSXEESVSA-N -1 0 312.388 -0.475 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000584843821 379851895 /nfs/dbraw/zinc/85/18/95/379851895.db2.gz SVGBKEHARLQMJK-WDEREUQCSA-N -1 0 308.338 -0.002 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)c1cncc(F)c1)C(=O)[O-] ZINC000044260526 379869702 /nfs/dbraw/zinc/86/97/02/379869702.db2.gz WVBIWLPCRIIAAA-QMMMGPOBSA-N -1 0 305.287 -0.782 20 0 DBADRM CC1(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCOCC1 ZINC000229892995 379869886 /nfs/dbraw/zinc/86/98/86/379869886.db2.gz COKLUYDTGDTAJM-UHFFFAOYSA-N -1 0 303.340 -0.185 20 0 DBADRM CN(C(=O)N1CSC[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000040591309 379861748 /nfs/dbraw/zinc/86/17/48/379861748.db2.gz PCZPJFFJSFJEOI-JGVFFNPUSA-N -1 0 308.381 -0.315 20 0 DBADRM CN(Cc1cnn(C)c1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000225568707 379863753 /nfs/dbraw/zinc/86/37/53/379863753.db2.gz VGFQFPSYTUNBGO-LLVKDONJSA-N -1 0 316.383 -0.107 20 0 DBADRM NS(=O)(=O)c1ccc(NC[C@@]2(O)CCOC2)c(C(=O)[O-])c1 ZINC000227168060 379866057 /nfs/dbraw/zinc/86/60/57/379866057.db2.gz HZFBJIKYPIQSPT-LBPRGKRZSA-N -1 0 316.335 -0.405 20 0 DBADRM C[S@](=O)CCCNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000229193365 379866067 /nfs/dbraw/zinc/86/60/67/379866067.db2.gz CKWVYVKPZLLMOV-YYSFKGJASA-N -1 0 312.413 -0.614 20 0 DBADRM COC(=O)CCSCCNC(=O)c1cnc([O-])n(C)c1=O ZINC000610585440 379814100 /nfs/dbraw/zinc/81/41/00/379814100.db2.gz DQXYWLUKGFRITN-UHFFFAOYSA-N -1 0 315.351 -0.488 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000043703048 379867382 /nfs/dbraw/zinc/86/73/82/379867382.db2.gz YUBXYKATJJLWQR-SNVBAGLBSA-N -1 0 314.319 -0.740 20 0 DBADRM NC(=O)COCCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000230041118 379867474 /nfs/dbraw/zinc/86/74/74/379867474.db2.gz LWEPSKDCNHTUBP-UHFFFAOYSA-N -1 0 316.335 -0.906 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CCC3)C2)CCO1 ZINC000643467024 379820814 /nfs/dbraw/zinc/82/08/14/379820814.db2.gz LLUJNRMYFLZAQU-VXGBXAGGSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)C1 ZINC000643466450 379820894 /nfs/dbraw/zinc/82/08/94/379820894.db2.gz KYHYJPHVXKEZIO-UTUOFQBUSA-N -1 0 322.361 -0.053 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCS(C)(=O)=O)C1 ZINC000044567859 379867647 /nfs/dbraw/zinc/86/76/47/379867647.db2.gz TWNMDJTTWGEGKJ-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM CO[C@]1(CO)CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC000617801104 379823107 /nfs/dbraw/zinc/82/31/07/379823107.db2.gz HGAQJWYZTYGVPS-LLVKDONJSA-N -1 0 302.356 -0.398 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000643467353 379823286 /nfs/dbraw/zinc/82/32/86/379823286.db2.gz LYNCPZKNYMLRDY-CMPLNLGQSA-N -1 0 312.366 -0.071 20 0 DBADRM Cn1ncc2c1[n-]cc(C(=O)N1CCN(CCO)CC1)c2=O ZINC000132569270 379914087 /nfs/dbraw/zinc/91/40/87/379914087.db2.gz SGUKNSAHGWYCMR-UHFFFAOYSA-N -1 0 305.338 -0.576 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cn1 ZINC000047861599 379902989 /nfs/dbraw/zinc/90/29/89/379902989.db2.gz QNCUVARYTLNINI-UHFFFAOYSA-N -1 0 316.364 -0.132 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N1CCOC[C@@]12CCOC2 ZINC000195482627 379931977 /nfs/dbraw/zinc/93/19/77/379931977.db2.gz UVASQOKOQGWHIH-QMMMGPOBSA-N -1 0 304.290 -0.126 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCCOc1ncccc1F ZINC000420568762 380064500 /nfs/dbraw/zinc/06/45/00/380064500.db2.gz WZVQOJPVCNAQBN-UHFFFAOYSA-N -1 0 313.285 -0.351 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCc2cccc3c2OCO3)C1 ZINC000420542765 380064526 /nfs/dbraw/zinc/06/45/26/380064526.db2.gz LIKJKTTUSMUHKR-SNVBAGLBSA-N -1 0 320.301 -0.035 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCC(=O)[O-])[C@H]1OC ZINC000420568170 380064566 /nfs/dbraw/zinc/06/45/66/380064566.db2.gz WJJHXNMAWPGCMM-CKYFFXLPSA-N -1 0 316.354 -0.382 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000420534621 380064796 /nfs/dbraw/zinc/06/47/96/380064796.db2.gz KDNOPJJOCKTHNK-OUAUKWLOSA-N -1 0 308.338 -0.433 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCCc1ccc2c(c1)CCO2 ZINC000420562311 380064816 /nfs/dbraw/zinc/06/48/16/380064816.db2.gz OMJJOZZRBPKOSG-UHFFFAOYSA-N -1 0 306.318 -0.129 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000420537512 380064988 /nfs/dbraw/zinc/06/49/88/380064988.db2.gz PECOHCZKDCIIKC-SNVBAGLBSA-N -1 0 322.317 -0.076 20 0 DBADRM Cn1cc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cn1 ZINC000420542415 380065273 /nfs/dbraw/zinc/06/52/73/380065273.db2.gz KRTFRPVHHDNOHG-XHDPSFHLSA-N -1 0 320.349 -0.250 20 0 DBADRM CO[C@H]1CN(C(=O)C(=O)NCCCCCC(=O)[O-])C[C@@H]1OC ZINC000420577113 380066210 /nfs/dbraw/zinc/06/62/10/380066210.db2.gz MLBVLQXLJKOHNP-QWRGUYRKSA-N -1 0 316.354 -0.380 20 0 DBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000420558251 380066720 /nfs/dbraw/zinc/06/67/20/380066720.db2.gz DCERVKSKDPLIBR-VHSXEESVSA-N -1 0 314.338 -0.377 20 0 DBADRM CCOCCOC1CN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000420590079 380066942 /nfs/dbraw/zinc/06/69/42/380066942.db2.gz JNLAFEZFUJBXQO-UHFFFAOYSA-N -1 0 302.327 -0.769 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000420552418 380066962 /nfs/dbraw/zinc/06/69/62/380066962.db2.gz GDRDMCDDTIDPPA-VIFPVBQESA-N -1 0 313.354 -0.565 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000420544834 380067062 /nfs/dbraw/zinc/06/70/62/380067062.db2.gz RBNIPKOQSIKJEB-SNVBAGLBSA-N -1 0 319.317 -0.501 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCCOc1ncccc1Cl ZINC000420555674 380067114 /nfs/dbraw/zinc/06/71/14/380067114.db2.gz IPACYLCZFVASAL-UHFFFAOYSA-N -1 0 315.713 -0.179 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)[C@H](C)O ZINC000420686614 380074334 /nfs/dbraw/zinc/07/43/34/380074334.db2.gz HYXWNGBEGUQASO-HBNTYKKESA-N -1 0 311.400 -0.111 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC000420696436 380074525 /nfs/dbraw/zinc/07/45/25/380074525.db2.gz YEZQQGLMIYBNPH-MNOVXSKESA-N -1 0 311.400 -0.109 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NC[C@@H]1COCCO1 ZINC000572239775 380139349 /nfs/dbraw/zinc/13/93/49/380139349.db2.gz KYTZRHUGMFDXKM-MRVPVSSYSA-N -1 0 302.308 -0.527 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1ncnn1C ZINC000572243808 380139543 /nfs/dbraw/zinc/13/95/43/380139543.db2.gz RHYUZEJHARDRLX-GUBZILKMSA-N -1 0 323.353 -0.439 20 0 DBADRM C[C@H](CC#N)N(C)S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000572243740 380139691 /nfs/dbraw/zinc/13/96/91/380139691.db2.gz IAQWTVKNTKLDNX-SNVBAGLBSA-N -1 0 319.383 -0.064 20 0 DBADRM CCOC(=O)C[C@H](O)CSc1n[n-]c2nc(=O)c(C)nn21 ZINC000611232924 380099436 /nfs/dbraw/zinc/09/94/36/380099436.db2.gz SUGUQPXFHOCBRN-ZETCQYMHSA-N -1 0 313.339 -0.473 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2C[C@H](CO)[C@H](O)C2)c1 ZINC000571882360 380122971 /nfs/dbraw/zinc/12/29/71/380122971.db2.gz XNWBZEQGRSGYBA-MWLCHTKSSA-N -1 0 308.290 -0.865 20 0 DBADRM C[C@H]1Cc2cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])ccc2O1 ZINC000571895535 380125621 /nfs/dbraw/zinc/12/56/21/380125621.db2.gz RXXYPLLXKCKJPP-OIBJUYFYSA-N -1 0 301.320 -0.266 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000571921271 380125932 /nfs/dbraw/zinc/12/59/32/380125932.db2.gz JMXQKCMGSBIUOV-GZMMTYOYSA-N -1 0 308.338 -0.096 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN(c2ncc[nH]2)CC1 ZINC000572058664 380129774 /nfs/dbraw/zinc/12/97/74/380129774.db2.gz UUEVXNRSRYWWSS-UHFFFAOYSA-N -1 0 309.355 -0.326 20 0 DBADRM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCCCC(=O)[O-])C1 ZINC000572119439 380133499 /nfs/dbraw/zinc/13/34/99/380133499.db2.gz SEHXEBVQDGFPSV-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM COC(=O)c1csc(NC(=O)C(=O)NCc2nnn[n-]2)c1C ZINC000611457649 380164485 /nfs/dbraw/zinc/16/44/85/380164485.db2.gz DTCFMBLZUHZFJO-UHFFFAOYSA-N -1 0 324.322 -0.389 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)C1 ZINC000262348731 380185695 /nfs/dbraw/zinc/18/56/95/380185695.db2.gz YMEDDSNICSBWLN-LPEHRKFASA-N -1 0 320.367 -0.841 20 0 DBADRM C[C@](O)(CNC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000262346459 380185764 /nfs/dbraw/zinc/18/57/64/380185764.db2.gz DKZSQNZEYDPCEW-AWEZNQCLSA-N -1 0 306.274 -0.766 20 0 DBADRM CCOC(=O)c1cc(S(=O)(=O)N[C@H](C)C(=O)[O-])cn1C ZINC000262384453 380189239 /nfs/dbraw/zinc/18/92/39/380189239.db2.gz HNWICMQRHTWWKQ-SSDOTTSWSA-N -1 0 304.324 -0.047 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC000548200985 380189256 /nfs/dbraw/zinc/18/92/56/380189256.db2.gz AVMAZFZJBVNFGT-ZETCQYMHSA-N -1 0 321.307 -0.166 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000262462202 380192156 /nfs/dbraw/zinc/19/21/56/380192156.db2.gz SKBMIWFUMDJVEN-RKDXNWHRSA-N -1 0 310.372 -0.738 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000262727709 380200534 /nfs/dbraw/zinc/20/05/34/380200534.db2.gz GWPQYRUZIWRIRB-GXSJLCMTSA-N -1 0 307.368 -0.194 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)N[C@H](C(=O)[O-])C2CC2)o1 ZINC000262835906 380202686 /nfs/dbraw/zinc/20/26/86/380202686.db2.gz YNDHZQWAKNPLTB-JTQLQIEISA-N -1 0 316.335 -0.078 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])cn1 ZINC000262910108 380204033 /nfs/dbraw/zinc/20/40/33/380204033.db2.gz HHUUCUHHTYHZBZ-GXSJLCMTSA-N -1 0 307.306 -0.245 20 0 DBADRM CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000580427761 380265452 /nfs/dbraw/zinc/26/54/52/380265452.db2.gz OLPGPJQMFDYBHQ-QMMMGPOBSA-N -1 0 315.376 -0.319 20 0 DBADRM CO[C@H]1C[C@@H](C(N)=O)N(C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000263054480 380208379 /nfs/dbraw/zinc/20/83/79/380208379.db2.gz LLULUEPXJKHRBA-IUCAKERBSA-N -1 0 301.343 -0.229 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NC[C@H](OC)C(=O)[O-])c(C)o1 ZINC000263160805 380211151 /nfs/dbraw/zinc/21/11/51/380211151.db2.gz YQLFXCQKVVNVCG-QMMMGPOBSA-N -1 0 320.323 -0.674 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000263275506 380213114 /nfs/dbraw/zinc/21/31/14/380213114.db2.gz QIGWORKNDKXKRS-UHFFFAOYSA-N -1 0 307.306 -0.291 20 0 DBADRM CN(CC(=O)[O-])C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000263280732 380213967 /nfs/dbraw/zinc/21/39/67/380213967.db2.gz RVSGFVQDEXDZEF-AWEZNQCLSA-N -1 0 305.290 -0.102 20 0 DBADRM COC[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000263430011 380216921 /nfs/dbraw/zinc/21/69/21/380216921.db2.gz KKVAACCLFCNKLS-JTQLQIEISA-N -1 0 306.274 -0.502 20 0 DBADRM O=C([O-])COCCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000263440935 380217361 /nfs/dbraw/zinc/21/73/61/380217361.db2.gz MGCIKUOHUVPALL-UHFFFAOYSA-N -1 0 321.289 -0.681 20 0 DBADRM COC[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000263430012 380217535 /nfs/dbraw/zinc/21/75/35/380217535.db2.gz KKVAACCLFCNKLS-SNVBAGLBSA-N -1 0 306.274 -0.502 20 0 DBADRM CO[C@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2c(C)cnn2C)C1 ZINC000572400113 380220797 /nfs/dbraw/zinc/22/07/97/380220797.db2.gz QJHCUOYVGLXOKE-UWVGGRQHSA-N -1 0 317.367 -0.019 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CC(=O)N1 ZINC000422646093 380294190 /nfs/dbraw/zinc/29/41/90/380294190.db2.gz XPIWTPCZNFDENY-QMMMGPOBSA-N -1 0 305.290 -0.330 20 0 DBADRM COCCOCCNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000422726025 380296479 /nfs/dbraw/zinc/29/64/79/380296479.db2.gz YYVFCWTXJHXVNY-MNOVXSKESA-N -1 0 316.354 -0.665 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCCC[C@H]1CCO)C(=O)[O-] ZINC000422718298 380296565 /nfs/dbraw/zinc/29/65/65/380296565.db2.gz WWMLXRRYOKGRSX-QWRGUYRKSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCCn2cccn2)C1 ZINC000422724800 380296733 /nfs/dbraw/zinc/29/67/33/380296733.db2.gz WQNNHICNEZXORO-NWDGAFQWSA-N -1 0 322.365 -0.041 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCCC[C@@H]1CCO)C(=O)[O-] ZINC000422718296 380296805 /nfs/dbraw/zinc/29/68/05/380296805.db2.gz WWMLXRRYOKGRSX-GHMZBOCLSA-N -1 0 300.355 -0.071 20 0 DBADRM CCCN(CC(C)(C)O)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000422810761 380298726 /nfs/dbraw/zinc/29/87/26/380298726.db2.gz SJYDFXLZPFFTQU-JTQLQIEISA-N -1 0 300.355 -0.071 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000422783138 380298759 /nfs/dbraw/zinc/29/87/59/380298759.db2.gz KRDXNEHNWMZWNE-NXEZZACHSA-N -1 0 311.338 -0.811 20 0 DBADRM C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000422840712 380299593 /nfs/dbraw/zinc/29/95/93/380299593.db2.gz UMKCAIPFMKYICP-WRWGMCAJSA-N -1 0 312.366 -0.073 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C[C@@H]1OC ZINC000422853457 380299626 /nfs/dbraw/zinc/29/96/26/380299626.db2.gz BXNFFMXBUVJUFO-ISTVAULSSA-N -1 0 314.338 -0.818 20 0 DBADRM CC[C@]1(CO)CCCN1C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000422843922 380300254 /nfs/dbraw/zinc/30/02/54/380300254.db2.gz KBWKLPRZJOYDIN-QMTHXVAHSA-N -1 0 300.355 -0.071 20 0 DBADRM COCCOC1CN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000422866688 380301677 /nfs/dbraw/zinc/30/16/77/380301677.db2.gz QRSYPSYAEGKSLE-JTQLQIEISA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@H](C)[C@H](O)C2)C1 ZINC000422871035 380301980 /nfs/dbraw/zinc/30/19/80/380301980.db2.gz ZOPQUOYEIALNBW-NOOOWODRSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCSC[C@@H]1CCO)C(=O)[O-] ZINC000422904184 380303409 /nfs/dbraw/zinc/30/34/09/380303409.db2.gz PTYXWSOFAQWXRI-ZJUUUORDSA-N -1 0 318.395 -0.508 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CF)C2)C1 ZINC000422929292 380303580 /nfs/dbraw/zinc/30/35/80/380303580.db2.gz PDBDHDXGLRVJLY-VHSXEESVSA-N -1 0 302.302 -0.494 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000422883227 380304213 /nfs/dbraw/zinc/30/42/13/380304213.db2.gz QDAHTFWKTKRSOH-CYBMUJFWSA-N -1 0 300.311 -0.669 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])CCC1=O ZINC000424510656 380395795 /nfs/dbraw/zinc/39/57/95/380395795.db2.gz YENRLDDUBNYGMD-SECBINFHSA-N -1 0 313.354 -0.660 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1=O ZINC000612280305 380383574 /nfs/dbraw/zinc/38/35/74/380383574.db2.gz YIZZPCVIUUIYML-DTWKUNHWSA-N -1 0 316.383 -0.427 20 0 DBADRM C[C@@H]1CN(C(=O)NCCN2C(=O)CNC2=O)CC[C@H]1C(=O)[O-] ZINC000626753301 380343441 /nfs/dbraw/zinc/34/34/41/380343441.db2.gz JVHDLVBUZZVKMG-RKDXNWHRSA-N -1 0 312.326 -0.710 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H](O)C2CC2)c1 ZINC000612350995 380394825 /nfs/dbraw/zinc/39/48/25/380394825.db2.gz SAHSZIVJFXVOGB-LLVKDONJSA-N -1 0 300.336 -0.460 20 0 DBADRM C[C@H]1CN(C(=O)NCCNC(=O)c2ccn[nH]2)CC[C@H]1C(=O)[O-] ZINC000626759881 380349293 /nfs/dbraw/zinc/34/92/93/380349293.db2.gz UUSREDUBUKONIX-VHSXEESVSA-N -1 0 323.353 -0.108 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)NCCCC(=O)[O-])C1 ZINC000626765949 380350732 /nfs/dbraw/zinc/35/07/32/380350732.db2.gz OSXLLAAZXMKXEJ-JTQLQIEISA-N -1 0 321.399 -0.178 20 0 DBADRM CC(C)N(CC(N)=O)C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000623455902 380354608 /nfs/dbraw/zinc/35/46/08/380354608.db2.gz HQOKXRAAUCUYGY-UHFFFAOYSA-N -1 0 314.367 -0.211 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)NC[C@H](C)C(=O)[O-])CCO1 ZINC000626770589 380356181 /nfs/dbraw/zinc/35/61/81/380356181.db2.gz AWMZGMJPAOMCRP-DTWKUNHWSA-N -1 0 302.331 -0.954 20 0 DBADRM CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)c1nnn[n-]1 ZINC000612062164 380356372 /nfs/dbraw/zinc/35/63/72/380356372.db2.gz TUUHAGUXBNGXAZ-JGVFFNPUSA-N -1 0 304.376 -0.515 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)NC[C@@H](C)C(=O)[O-])CCO1 ZINC000626770591 380356789 /nfs/dbraw/zinc/35/67/89/380356789.db2.gz AWMZGMJPAOMCRP-RKDXNWHRSA-N -1 0 302.331 -0.954 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)N3C[C@H](O)[C@@H](O)C3)cc2=O)cc1 ZINC000628525444 380456942 /nfs/dbraw/zinc/45/69/42/380456942.db2.gz IHUKQKTZBGHGSD-STQMWFEESA-N -1 0 303.318 -0.348 20 0 DBADRM CCC[C@H](C(=O)N1CCC[C@H](c2nnn[n-]2)C1)S(N)(=O)=O ZINC000612816433 380446747 /nfs/dbraw/zinc/44/67/47/380446747.db2.gz FPJXMKXFCNMOLA-DTWKUNHWSA-N -1 0 316.387 -0.637 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCC2(CO)CC2)c1 ZINC000612383296 380397785 /nfs/dbraw/zinc/39/77/85/380397785.db2.gz XFOFGOQHDQSSNO-UHFFFAOYSA-N -1 0 300.336 -0.458 20 0 DBADRM CN(C)C(=O)CCN1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000612409949 380402028 /nfs/dbraw/zinc/40/20/28/380402028.db2.gz ZHJHMTPDVNFTJX-UHFFFAOYSA-N -1 0 309.370 -0.638 20 0 DBADRM CC[C@@H](O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612480714 380406963 /nfs/dbraw/zinc/40/69/63/380406963.db2.gz XFCJNQJTWDLUOW-MRVPVSSYSA-N -1 0 302.352 -0.070 20 0 DBADRM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1C[C@H](O)[C@@H](O)C1 ZINC000628525348 380456126 /nfs/dbraw/zinc/45/61/26/380456126.db2.gz DBGWFACCVVESEW-QWRGUYRKSA-N -1 0 307.281 -0.105 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N=c2nc(C3(C)CC3)[n-]s2)C1=O ZINC000628539806 380515846 /nfs/dbraw/zinc/51/58/46/380515846.db2.gz IVNBGRCBEVXMRK-UHFFFAOYSA-N -1 0 323.334 -0.629 20 0 DBADRM CCN(CCCO)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613012383 380469445 /nfs/dbraw/zinc/46/94/45/380469445.db2.gz KYUGITUTVKOISX-UHFFFAOYSA-N -1 0 302.352 -0.116 20 0 DBADRM CC[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@@H]1O ZINC000613098179 380476876 /nfs/dbraw/zinc/47/68/76/380476876.db2.gz QDNSBMJFBNMPGD-PELKAZGASA-N -1 0 314.363 -0.118 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@H](C(N)=O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000628780046 380553830 /nfs/dbraw/zinc/55/38/30/380553830.db2.gz BGOKRZHOIGMOHE-LJGSYFOKSA-N -1 0 317.305 -0.262 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC ZINC000356589151 291752388 /nfs/dbraw/zinc/75/23/88/291752388.db2.gz GZLOMUGSWKXLLJ-GUBZILKMSA-N -1 0 323.367 -0.829 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000629336367 380630156 /nfs/dbraw/zinc/63/01/56/380630156.db2.gz NHPLYJJUQJWHKN-QMMMGPOBSA-N -1 0 316.401 -0.997 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])n1 ZINC000629340310 380633560 /nfs/dbraw/zinc/63/35/60/380633560.db2.gz MGCPTZXMPGJYLG-NXEZZACHSA-N -1 0 317.367 -0.032 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2C[C@@H](O)C2)c1 ZINC000629075351 380594634 /nfs/dbraw/zinc/59/46/34/380594634.db2.gz DMUKCDQFWLALHR-OCAPTIKFSA-N -1 0 300.336 -0.460 20 0 DBADRM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2cnnn2C)cc1 ZINC000629286232 380622113 /nfs/dbraw/zinc/62/21/13/380622113.db2.gz IFYWEVDNYWEAJG-UHFFFAOYSA-N -1 0 309.351 -0.096 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)CO1 ZINC000629293665 380622759 /nfs/dbraw/zinc/62/27/59/380622759.db2.gz NNFZVVJXTWOKTC-UTLUCORTSA-N -1 0 307.368 -0.037 20 0 DBADRM Cc1ncc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)n1C ZINC000629298070 380623498 /nfs/dbraw/zinc/62/34/98/380623498.db2.gz YKQOYCGDPISXQQ-UHFFFAOYSA-N -1 0 317.367 -0.112 20 0 DBADRM CC(C)C1(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)CC1 ZINC000629296913 380623749 /nfs/dbraw/zinc/62/37/49/380623749.db2.gz XUPGJDCCUJFSEJ-UHFFFAOYSA-N -1 0 302.356 -0.029 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000629300789 380623967 /nfs/dbraw/zinc/62/39/67/380623967.db2.gz QSYPMGVKWFJMJI-NSHDSACASA-N -1 0 323.334 -0.159 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)CCc1c(F)cccc1F ZINC000629294291 380624008 /nfs/dbraw/zinc/62/40/08/380624008.db2.gz WHDJHAFDDFTXPG-JTQLQIEISA-N -1 0 309.290 -0.128 20 0 DBADRM CCO[C@H](CS(=O)(=O)N(CCO)CCC(=O)[O-])C1CC1 ZINC000629299255 380624087 /nfs/dbraw/zinc/62/40/87/380624087.db2.gz OXLXLXYPAVZSLZ-LLVKDONJSA-N -1 0 309.384 -0.100 20 0 DBADRM CCO[C@@H](CS(=O)(=O)NCCC(=O)NCC(=O)[O-])C1CC1 ZINC000629301533 380624136 /nfs/dbraw/zinc/62/41/36/380624136.db2.gz KSLWDBYOXMPJLP-JTQLQIEISA-N -1 0 322.383 -0.688 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1)C1CC1 ZINC000629303507 380624180 /nfs/dbraw/zinc/62/41/80/380624180.db2.gz KISVDTALKCOESW-QWRGUYRKSA-N -1 0 307.368 -0.083 20 0 DBADRM CO[C@H](CS(=O)(=O)NC[C@@H](O)C(=O)[O-])c1ccc(F)cc1 ZINC000629304746 380624247 /nfs/dbraw/zinc/62/42/47/380624247.db2.gz OSEMFGHKOJVZOY-GHMZBOCLSA-N -1 0 321.326 -0.122 20 0 DBADRM CO[C@@H]1CN(C(=O)N2CCS(=O)(=O)CC2)[C@](C)(C(=O)[O-])C1 ZINC000629310551 380625129 /nfs/dbraw/zinc/62/51/29/380625129.db2.gz UBRLCBKRZWYOMW-CABZTGNLSA-N -1 0 320.367 -0.599 20 0 DBADRM Cc1ncc(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@H]2C(=O)[O-])n1C ZINC000629305583 380625165 /nfs/dbraw/zinc/62/51/65/380625165.db2.gz MSLSAIGAHJGSDI-RNSXUZJQSA-N -1 0 317.367 -0.020 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC000629307351 380625283 /nfs/dbraw/zinc/62/52/83/380625283.db2.gz CUNIRFBMAVACSS-MWLCHTKSSA-N -1 0 310.372 -0.627 20 0 DBADRM Cc1ncc(S(=O)(=O)NCc2nocc2C(=O)[O-])n1C ZINC000629305954 380625470 /nfs/dbraw/zinc/62/54/70/380625470.db2.gz RTKYTIRZRMXURQ-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(C)n2C)C1 ZINC000629305631 380625604 /nfs/dbraw/zinc/62/56/04/380625604.db2.gz OOMCCVOATMRSTB-LBPRGKRZSA-N -1 0 317.367 -0.160 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000640451105 380667900 /nfs/dbraw/zinc/66/79/00/380667900.db2.gz JVKQJSZLQWIZFW-SNVBAGLBSA-N -1 0 308.338 -0.030 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=N[C@H]2CC(=O)N(C)C2)cc1 ZINC000631123816 380680616 /nfs/dbraw/zinc/68/06/16/380680616.db2.gz AVUOZKDSFBICAF-NSHDSACASA-N -1 0 302.338 -0.206 20 0 DBADRM CNC(=O)[C@H]1CCCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000195088357 380706614 /nfs/dbraw/zinc/70/66/14/380706614.db2.gz XKQGVRZAKCIYKT-SSDOTTSWSA-N -1 0 303.306 -0.016 20 0 DBADRM O=C(CNS(=O)(=O)[N-]CC(F)(F)F)NCC(F)(F)F ZINC000195113108 380706714 /nfs/dbraw/zinc/70/67/14/380706714.db2.gz AGRSMTRONLWNEC-UHFFFAOYSA-N -1 0 317.211 -0.349 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000458360444 380761427 /nfs/dbraw/zinc/76/14/27/380761427.db2.gz ODBAVUQSOXWOTE-DTWKUNHWSA-N -1 0 320.305 -0.112 20 0 DBADRM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000195218421 380713895 /nfs/dbraw/zinc/71/38/95/380713895.db2.gz PISMFDNGFOHITQ-ZETCQYMHSA-N -1 0 303.306 -0.161 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cnn(C)c2)CC[C@@H]1C(=O)[O-] ZINC000629773690 380717265 /nfs/dbraw/zinc/71/72/65/380717265.db2.gz QUBOFZSNAROMEB-PWSUYJOCSA-N -1 0 322.365 -0.052 20 0 DBADRM CCC[C@H]1C(=O)NCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000195440567 380718572 /nfs/dbraw/zinc/71/85/72/380718572.db2.gz FZQVQUBIMBGBPS-ZETCQYMHSA-N -1 0 303.306 -0.016 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCn3cncc3C2)CC[C@@H]1C(=O)[O-] ZINC000629780109 380719055 /nfs/dbraw/zinc/71/90/55/380719055.db2.gz DPIYFZGCBLTEGV-JQWIXIFHSA-N -1 0 320.349 -0.206 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CF)C2)CC[C@H]1C(=O)[O-] ZINC000629781097 380720156 /nfs/dbraw/zinc/72/01/56/380720156.db2.gz JUGHDKLWEMCQCQ-OUAUKWLOSA-N -1 0 316.329 -0.248 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCO[C@H](CCF)C2)CC1 ZINC000629781135 380720232 /nfs/dbraw/zinc/72/02/32/380720232.db2.gz KRAIWGFGDCPHPY-LLVKDONJSA-N -1 0 316.329 -0.103 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CF)C2)CC[C@@H]1C(=O)[O-] ZINC000629781096 380720261 /nfs/dbraw/zinc/72/02/61/380720261.db2.gz JUGHDKLWEMCQCQ-MXWKQRLJSA-N -1 0 316.329 -0.248 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CF)C2)CC[C@H]1C(=O)[O-] ZINC000629781095 380720406 /nfs/dbraw/zinc/72/04/06/380720406.db2.gz JUGHDKLWEMCQCQ-GMTAPVOTSA-N -1 0 316.329 -0.248 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)CC1 ZINC000629782988 380720933 /nfs/dbraw/zinc/72/09/33/380720933.db2.gz CLSBYGINTAWMBC-MVWJERBFSA-N -1 0 310.350 -0.319 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)C1 ZINC000629784109 380721031 /nfs/dbraw/zinc/72/10/31/380721031.db2.gz QKDFLESGEGFGBF-KIJLLGNVSA-N -1 0 324.377 -0.073 20 0 DBADRM CCOC[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CCO1 ZINC000629782906 380721093 /nfs/dbraw/zinc/72/10/93/380721093.db2.gz LKGFQZOGJFJRNI-GHMZBOCLSA-N -1 0 316.354 -0.571 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1)C(=O)[O-] ZINC000629782600 380721270 /nfs/dbraw/zinc/72/12/70/380721270.db2.gz YCKZZANDHIHNIL-JRPNMDOOSA-N -1 0 312.366 -0.214 20 0 DBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000251104296 380984913 /nfs/dbraw/zinc/98/49/13/380984913.db2.gz KHVIIZJXPJUMQB-GARJFASQSA-N -1 0 304.368 -0.109 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000275196688 381023023 /nfs/dbraw/zinc/02/30/23/381023023.db2.gz GDEREVQAUNXIKC-WHFBIAKZSA-N -1 0 307.246 -0.127 20 0 DBADRM O=C(NCCN1CCNC(=O)C1)c1ccc2oc(=O)nc-2[n-]1 ZINC000613381384 381066006 /nfs/dbraw/zinc/06/60/06/381066006.db2.gz YDSLYPFWCWCIKE-UHFFFAOYSA-N -1 0 305.294 -0.910 20 0 DBADRM CO[C@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000227271782 381082540 /nfs/dbraw/zinc/08/25/40/381082540.db2.gz YCCACZVBVAQDSB-SNVBAGLBSA-N -1 0 301.320 -0.081 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCC2(CO)CCC2)c1 ZINC000613465180 381108916 /nfs/dbraw/zinc/10/89/16/381108916.db2.gz KBRFWBZNBBTAPK-UHFFFAOYSA-N -1 0 314.363 -0.068 20 0 DBADRM COc1cc(N2CCN(C(=O)c3cc(=O)n(C)[n-]3)CC2)ncn1 ZINC000613533051 381138597 /nfs/dbraw/zinc/13/85/97/381138597.db2.gz NJVROYXCQWKWAR-UHFFFAOYSA-N -1 0 318.337 -0.113 20 0 DBADRM O=C(CN1CC[C@@H](c2ccccc2)NC1=O)NCc1nnn[n-]1 ZINC000613539306 381139468 /nfs/dbraw/zinc/13/94/68/381139468.db2.gz VYFARRIWYIZCGQ-NSHDSACASA-N -1 0 315.337 -0.028 20 0 DBADRM Cn1cc(CCNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)cn1 ZINC000053971660 381162566 /nfs/dbraw/zinc/16/25/66/381162566.db2.gz NMYNQOVTUGUPFM-UHFFFAOYSA-N -1 0 314.305 -0.270 20 0 DBADRM CCC[C@@H](C(=O)N(C)C[C@@H](C)c1nnn[n-]1)S(N)(=O)=O ZINC000613475274 381129158 /nfs/dbraw/zinc/12/91/58/381129158.db2.gz OXIIDGLAEKPXEV-SFYZADRCSA-N -1 0 304.376 -0.781 20 0 DBADRM CNS(=O)(=O)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000613825761 381196582 /nfs/dbraw/zinc/19/65/82/381196582.db2.gz ABCUHHAMIQAWJR-UHFFFAOYSA-N -1 0 300.296 -0.793 20 0 DBADRM O=C(N[C@@H](CO)CN1CCOCC1)c1ccc2oc(=O)nc-2[n-]1 ZINC000614411907 381252526 /nfs/dbraw/zinc/25/25/26/381252526.db2.gz GPPTUKGUPQJYFN-SECBINFHSA-N -1 0 322.321 -0.649 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000614170779 381231674 /nfs/dbraw/zinc/23/16/74/381231674.db2.gz HMFMWUNOXZRVIM-KXUCPTDWSA-N -1 0 308.338 -0.284 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)CC[C@H]1CCCO1)C(=O)[O-] ZINC000614337925 381245623 /nfs/dbraw/zinc/24/56/23/381245623.db2.gz ATWABRAHPLYUBZ-BDAKNGLRSA-N -1 0 309.340 -0.509 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cn1 ZINC000530143356 381291615 /nfs/dbraw/zinc/29/16/15/381291615.db2.gz UMDNRVPWAKYCBK-UHFFFAOYSA-N -1 0 316.383 -0.410 20 0 DBADRM O=C([O-])CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000530135214 381292497 /nfs/dbraw/zinc/29/24/97/381292497.db2.gz UIHSDVFARZPDGR-UHFFFAOYSA-N -1 0 310.331 -0.115 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)[C@@H]2CCCOC2)CC1 ZINC000530140768 381292624 /nfs/dbraw/zinc/29/26/24/381292624.db2.gz KKEJCHQCTZTKSR-LLVKDONJSA-N -1 0 320.411 -0.024 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000530141586 381292762 /nfs/dbraw/zinc/29/27/62/381292762.db2.gz ZZHGQYINAGUFLQ-LLVKDONJSA-N -1 0 320.411 -0.024 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000530148946 381293664 /nfs/dbraw/zinc/29/36/64/381293664.db2.gz DTBKTOLXNPFXNM-LLVKDONJSA-N -1 0 303.340 -0.109 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CC[C@@H]2CCOC2)C1 ZINC000530149276 381294082 /nfs/dbraw/zinc/29/40/82/381294082.db2.gz ANTKSNQHYCDKCD-JQWIXIFHSA-N -1 0 307.368 -0.082 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)NC1(C)CCOCC1 ZINC000530152315 381294198 /nfs/dbraw/zinc/29/41/98/381294198.db2.gz DPSAKWRPBOZMOD-UHFFFAOYSA-N -1 0 303.340 -0.034 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000530148425 381294655 /nfs/dbraw/zinc/29/46/55/381294655.db2.gz GDNOGKZMGQVWLS-SZEHBUNVSA-N -1 0 315.351 -0.036 20 0 DBADRM COC[C@H]1CCN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)C1 ZINC000530155383 381295932 /nfs/dbraw/zinc/29/59/32/381295932.db2.gz SUEFUENFJFFXAA-QMMMGPOBSA-N -1 0 303.340 -0.225 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cn(C)nc2C)C1 ZINC000530152893 381295939 /nfs/dbraw/zinc/29/59/39/381295939.db2.gz NNQKXLGASYGEFV-LLVKDONJSA-N -1 0 303.340 -0.407 20 0 DBADRM CCOC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCO1 ZINC000530153897 381296000 /nfs/dbraw/zinc/29/60/00/381296000.db2.gz ZJXDFXSCYHQVLQ-WDEREUQCSA-N -1 0 322.383 -0.483 20 0 DBADRM C[C@@H]1CN(c2ncc(S(N)(=O)=O)s2)C[C@@H](C(=O)[O-])O1 ZINC000530176524 381296231 /nfs/dbraw/zinc/29/62/31/381296231.db2.gz IXYIUPTXLZDOHG-RITPCOANSA-N -1 0 307.353 -0.531 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N(CCO)CCOCC(F)(F)F ZINC000632009795 381275967 /nfs/dbraw/zinc/27/59/67/381275967.db2.gz FKJMCDQIVMUUHB-UHFFFAOYSA-N -1 0 317.289 -0.028 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)O[C@H]1C(=O)[O-] ZINC000630103547 381323448 /nfs/dbraw/zinc/32/34/48/381323448.db2.gz UGGXRFRBNQYLMK-HNBLOZHYSA-N -1 0 305.352 -0.442 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC000630119826 381326170 /nfs/dbraw/zinc/32/61/70/381326170.db2.gz WCKAOMUBIJFXSZ-QMMMGPOBSA-N -1 0 303.340 -0.527 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCC(C)(C)NS(C)(=O)=O)O[C@H]1C(=O)[O-] ZINC000630119641 381326550 /nfs/dbraw/zinc/32/65/50/381326550.db2.gz UFOGTPILKCWCOX-IWSPIJDZSA-N -1 0 322.383 -0.691 20 0 DBADRM CN=c1[n-]nc(CC(=O)Nc2ccc3c(n2)OCCO3)s1 ZINC000618081030 381330775 /nfs/dbraw/zinc/33/07/75/381330775.db2.gz DBMARCHRBFXTDV-UHFFFAOYSA-N -1 0 307.335 -0.229 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCCn2cccn2)CC[C@@H]1C(=O)[O-] ZINC000627263209 381334796 /nfs/dbraw/zinc/33/47/96/381334796.db2.gz ZKEGVVYBGFDOOI-NEPJUHHUSA-N -1 0 322.365 -0.041 20 0 DBADRM Cn1[n-]c(C(=O)N2CCN(CC(F)(F)F)C(=O)C2)cc1=O ZINC000614783038 381338795 /nfs/dbraw/zinc/33/87/95/381338795.db2.gz IYVHIXZRHIDJON-UHFFFAOYSA-N -1 0 306.244 -0.028 20 0 DBADRM CS(=O)(=O)CCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000038047236 381307109 /nfs/dbraw/zinc/30/71/09/381307109.db2.gz FOWODNXAXYGFDQ-UHFFFAOYSA-N -1 0 310.353 -0.574 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCS(C)(=O)=O ZINC000530339087 381307729 /nfs/dbraw/zinc/30/77/29/381307729.db2.gz IIQKDHHUOHDGMA-JTQLQIEISA-N -1 0 313.397 -0.310 20 0 DBADRM CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC000614620766 381312341 /nfs/dbraw/zinc/31/23/41/381312341.db2.gz KJNRIBUPOIVVMP-JQWIXIFHSA-N -1 0 322.365 -0.022 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCCn2ccnc2)CC[C@H]1C(=O)[O-] ZINC000627260524 381318576 /nfs/dbraw/zinc/31/85/76/381318576.db2.gz JVKVUJBUZOIHLQ-NWDGAFQWSA-N -1 0 322.365 -0.041 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCn2ccnc2)CC[C@H]1C(=O)[O-] ZINC000627260008 381318733 /nfs/dbraw/zinc/31/87/33/381318733.db2.gz CPJIGXKFHIUMEZ-WDEREUQCSA-N -1 0 308.338 -0.432 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000627265798 381348649 /nfs/dbraw/zinc/34/86/49/381348649.db2.gz NZZAGZBUUSZYTR-TUAOUCFPSA-N -1 0 322.365 -0.043 20 0 DBADRM CN(CCCNC(=O)c1cc(C(=O)[O-])nn1C)S(C)(=O)=O ZINC000630148963 381348709 /nfs/dbraw/zinc/34/87/09/381348709.db2.gz HQODWAACALYNCV-UHFFFAOYSA-N -1 0 318.355 -0.870 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1cn(C)cn1 ZINC000630156678 381351015 /nfs/dbraw/zinc/35/10/15/381351015.db2.gz NORYPNCCKLOCTD-JTQLQIEISA-N -1 0 308.338 -0.185 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000630163130 381351545 /nfs/dbraw/zinc/35/15/45/381351545.db2.gz GCGHIVFCUWHAHY-PSASIEDQSA-N -1 0 319.321 -0.027 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCC(=O)NCC(F)(F)F)O[C@H]1C(=O)[O-] ZINC000630164535 381352323 /nfs/dbraw/zinc/35/23/23/381352323.db2.gz IMHYNONTGFNJRJ-ATRFCDNQSA-N -1 0 312.244 -0.341 20 0 DBADRM Cn1nnc2c1nccc2C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000630163484 381352529 /nfs/dbraw/zinc/35/25/29/381352529.db2.gz WZKFUFBVWUYGLQ-UHFFFAOYSA-N -1 0 319.321 -0.026 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000630173665 381353290 /nfs/dbraw/zinc/35/32/90/381353290.db2.gz RQQHYFJAHRIYKE-QMMMGPOBSA-N -1 0 305.294 -0.321 20 0 DBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)NCCOCC(=O)[O-] ZINC000630175996 381353867 /nfs/dbraw/zinc/35/38/67/381353867.db2.gz WGRKAMJONBBILM-UHFFFAOYSA-N -1 0 305.308 -0.177 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000630213799 381365135 /nfs/dbraw/zinc/36/51/35/381365135.db2.gz BLIUAPXTXFPVTB-SNVBAGLBSA-N -1 0 319.321 -0.027 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(C(=O)CCCS(C)(=O)=O)CC1 ZINC000630225179 381367084 /nfs/dbraw/zinc/36/70/84/381367084.db2.gz HEXGYDQXZLMKSV-UHFFFAOYSA-N -1 0 320.411 -0.181 20 0 DBADRM O=C(N1CCC[C@H](c2nnn[n-]2)C1)[C@@]12CCC(=O)N1CCS2 ZINC000540427346 381367459 /nfs/dbraw/zinc/36/74/59/381367459.db2.gz QNHKADKNEDBIGA-ZANVPECISA-N -1 0 322.394 -0.029 20 0 DBADRM CC(=O)NCCN(C(=O)COC[C@H]1CCCO1)[C@@H](C)C(=O)[O-] ZINC000540966202 381372543 /nfs/dbraw/zinc/37/25/43/381372543.db2.gz UYGHEEIKWWBWSA-CMPLNLGQSA-N -1 0 316.354 -0.380 20 0 DBADRM COc1cncc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000540983311 381374484 /nfs/dbraw/zinc/37/44/84/381374484.db2.gz RITZDIDFTPAPAW-GZMMTYOYSA-N -1 0 316.335 -0.142 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC000630250411 381374593 /nfs/dbraw/zinc/37/45/93/381374593.db2.gz AOCKBVRTFKQYEC-GFCCVEGCSA-N -1 0 322.383 -0.640 20 0 DBADRM C[C@@H]1CN(C(=O)Cc2nc(C3CC3)nn2C)C[C@@H](C(=O)[O-])O1 ZINC000630261220 381377166 /nfs/dbraw/zinc/37/71/66/381377166.db2.gz DYRVBZPRCOINMG-SCZZXKLOSA-N -1 0 308.338 -0.065 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCOCC(=O)[O-])C1 ZINC000630263027 381377192 /nfs/dbraw/zinc/37/71/92/381377192.db2.gz SOXUXKCULXXQHT-SNVBAGLBSA-N -1 0 322.383 -0.735 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)NCCOCC(=O)[O-])co1 ZINC000630262665 381377370 /nfs/dbraw/zinc/37/73/70/381377370.db2.gz OESWVSIBNBFRHP-UHFFFAOYSA-N -1 0 320.323 -0.639 20 0 DBADRM O=C([O-])C1CC(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000630262358 381377626 /nfs/dbraw/zinc/37/76/26/381377626.db2.gz LWIHRJIUHWKKQD-RTYFJBAXSA-N -1 0 310.350 -0.007 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000630441840 381417487 /nfs/dbraw/zinc/41/74/87/381417487.db2.gz BTOUEBPDSOOYKQ-JTQLQIEISA-N -1 0 304.368 -0.124 20 0 DBADRM COCC(=O)N1CCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000543750083 381414070 /nfs/dbraw/zinc/41/40/70/381414070.db2.gz BEFYBSDCFQNBLH-UHFFFAOYSA-N -1 0 303.322 -0.111 20 0 DBADRM CN(CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21)S(C)(=O)=O ZINC000630283345 381380017 /nfs/dbraw/zinc/38/00/17/381380017.db2.gz SQYOIOGZGJQOLL-VWYCJHECSA-N -1 0 318.395 -0.020 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000627267333 381381951 /nfs/dbraw/zinc/38/19/51/381381951.db2.gz MRCYDEMZJDMJPK-VWYCJHECSA-N -1 0 300.355 -0.046 20 0 DBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC000630303405 381383685 /nfs/dbraw/zinc/38/36/85/381383685.db2.gz WSTYXLRFVDVRTL-UHFFFAOYSA-N -1 0 321.399 -0.562 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@@](C)(C(=O)[O-])C1 ZINC000630309483 381385703 /nfs/dbraw/zinc/38/57/03/381385703.db2.gz FOYVILAMGDVFHU-HOTUBEGUSA-N -1 0 320.367 -0.889 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@](C)(C(=O)[O-])C1 ZINC000630309485 381386064 /nfs/dbraw/zinc/38/60/64/381386064.db2.gz FOYVILAMGDVFHU-SBMIAAHKSA-N -1 0 320.367 -0.889 20 0 DBADRM CCn1nc(C(=O)N2C[C@H](OC)C[C@]2(C)C(=O)[O-])ccc1=O ZINC000630310395 381386722 /nfs/dbraw/zinc/38/67/22/381386722.db2.gz NPGHAQKFWJLWJZ-YMTOWFKASA-N -1 0 309.322 -0.033 20 0 DBADRM CO[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)[C@](C)(C(=O)[O-])C1 ZINC000630314085 381387613 /nfs/dbraw/zinc/38/76/13/381387613.db2.gz XLPWYKUIJWZJHC-CABZTGNLSA-N -1 0 320.367 -0.888 20 0 DBADRM CO[C@H]1CN(C(=O)c2ccn3nnnc3c2)[C@](C)(C(=O)[O-])C1 ZINC000630314634 381387908 /nfs/dbraw/zinc/38/79/08/381387908.db2.gz CKXXHOQOJSDWFT-RNCFNFMXSA-N -1 0 305.294 -0.172 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)[C@@](C)(C(=O)[O-])C1 ZINC000630318709 381387940 /nfs/dbraw/zinc/38/79/40/381387940.db2.gz YFOYKSNFLJMJEW-HOTUBEGUSA-N -1 0 305.352 -0.346 20 0 DBADRM CO[C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)[C@@](C)(C(=O)[O-])C1 ZINC000630312472 381388155 /nfs/dbraw/zinc/38/81/55/381388155.db2.gz OVUWCWXAZRTXFK-JOYOIKCWSA-N -1 0 307.368 -0.100 20 0 DBADRM CO[C@H]1CN(C(=O)c2ccc(C(N)=O)cn2)[C@@](C)(C(=O)[O-])C1 ZINC000630313147 381388289 /nfs/dbraw/zinc/38/82/89/381388289.db2.gz WVMGPCBLBCYNJW-YMTOWFKASA-N -1 0 307.306 -0.115 20 0 DBADRM Cc1cc(CNC(=O)CN2CCCS2(=O)=O)oc1C(=O)[O-] ZINC000630330572 381389942 /nfs/dbraw/zinc/38/99/42/381389942.db2.gz FFACRAPTGRCZLE-UHFFFAOYSA-N -1 0 316.335 -0.062 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000630336221 381390140 /nfs/dbraw/zinc/39/01/40/381390140.db2.gz MJMKHDFCEBCHLV-GFCCVEGCSA-N -1 0 307.368 -0.193 20 0 DBADRM O=C(CN1CSCC1=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000630334681 381390151 /nfs/dbraw/zinc/39/01/51/381390151.db2.gz AKKWXROUQZZNIM-GFCCVEGCSA-N -1 0 302.352 -0.483 20 0 DBADRM CCCS(=O)(=O)CC(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC000630336609 381390170 /nfs/dbraw/zinc/39/01/70/381390170.db2.gz OPBUQYQCAZQZAJ-LBPRGKRZSA-N -1 0 307.368 -0.191 20 0 DBADRM C[C@@H](C(=O)NC1(c2nnn[n-]2)CCCC1)N1CCN(C)CC1 ZINC000542599920 381396333 /nfs/dbraw/zinc/39/63/33/381396333.db2.gz AAWAOTJXPXRYFT-NSHDSACASA-N -1 0 307.402 -0.279 20 0 DBADRM C[C@@](O)(CNC(=O)C[C@H](NC(N)=O)c1ccccc1)C(=O)[O-] ZINC000546024411 381449111 /nfs/dbraw/zinc/44/91/11/381449111.db2.gz LCHNUIUCFQCBJJ-IINYFYTJSA-N -1 0 309.322 -0.262 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)CC1=O ZINC000630443619 381418421 /nfs/dbraw/zinc/41/84/21/381418421.db2.gz DCKBFQNYLUFPPY-HBNTYKKESA-N -1 0 318.395 -0.020 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1=O ZINC000630447095 381419325 /nfs/dbraw/zinc/41/93/25/381419325.db2.gz OLUDKQPIFRJFIK-AXFHLTTASA-N -1 0 318.395 -0.020 20 0 DBADRM COCCCCS(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000547551359 381484935 /nfs/dbraw/zinc/48/49/35/381484935.db2.gz SCYNDHLQYINTAG-NSHDSACASA-N -1 0 319.383 -0.009 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-] ZINC000547560960 381485240 /nfs/dbraw/zinc/48/52/40/381485240.db2.gz KYRSPBCWNFGZAD-ZETCQYMHSA-N -1 0 307.280 -0.556 20 0 DBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000547548903 381484459 /nfs/dbraw/zinc/48/44/59/381484459.db2.gz USAACSGWCGEGID-LDYMZIIASA-N -1 0 316.383 -0.030 20 0 DBADRM CN1CCc2ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc21 ZINC000547544052 381484701 /nfs/dbraw/zinc/48/47/01/381484701.db2.gz RHSHIRLTJZAOHU-LBPRGKRZSA-N -1 0 314.363 -0.207 20 0 DBADRM CC[C@@H](C)CS(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-] ZINC000547549678 381484754 /nfs/dbraw/zinc/48/47/54/381484754.db2.gz DTQFNWKZIREEHO-GHMZBOCLSA-N -1 0 308.400 -0.263 20 0 DBADRM CCn1cc(S(=O)(=O)N(C)[C@@H](COC)C(=O)[O-])nc1C ZINC000547911848 381503551 /nfs/dbraw/zinc/50/35/51/381503551.db2.gz XCASWXZRCCVKLR-VIFPVBQESA-N -1 0 305.356 -0.068 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000547936532 381506447 /nfs/dbraw/zinc/50/64/47/381506447.db2.gz MCHLKGVHWFUVLT-UHFFFAOYSA-N -1 0 316.291 -0.087 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)ncn1 ZINC000627272077 381514576 /nfs/dbraw/zinc/51/45/76/381514576.db2.gz HMKYAWGKDLTEDS-SKDRFNHKSA-N -1 0 320.349 -0.030 20 0 DBADRM C[C@H](CN(C)C(=O)CNC(=O)c1cccnc1)c1nnn[n-]1 ZINC000548138977 381515118 /nfs/dbraw/zinc/51/51/18/381515118.db2.gz POAXDJBHOYZSEL-SECBINFHSA-N -1 0 303.326 -0.413 20 0 DBADRM COc1cccc(CS(=O)(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC000548198007 381517933 /nfs/dbraw/zinc/51/79/33/381517933.db2.gz UWVRHXQCZILCPT-NSHDSACASA-N -1 0 303.336 -0.050 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cncc(Cl)c1 ZINC000548197255 381518067 /nfs/dbraw/zinc/51/80/67/381518067.db2.gz GHELOUGDSXJXAE-UHFFFAOYSA-N -1 0 307.715 -0.786 20 0 DBADRM CCCCN(C)S(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-] ZINC000548201026 381518130 /nfs/dbraw/zinc/51/81/30/381518130.db2.gz DAJPQFRTNUAQNB-NSHDSACASA-N -1 0 323.415 -0.662 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)C[C@H]2CCCO2)C1 ZINC000547566318 381486603 /nfs/dbraw/zinc/48/66/03/381486603.db2.gz YBSIUASHWHPGEM-VHSXEESVSA-N -1 0 320.367 -0.982 20 0 DBADRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000547573855 381486837 /nfs/dbraw/zinc/48/68/37/381486837.db2.gz CBCZFVXIESMBTG-JTQLQIEISA-N -1 0 319.383 -0.120 20 0 DBADRM CCn1cc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cn1 ZINC000547578801 381486967 /nfs/dbraw/zinc/48/69/67/381486967.db2.gz OLSDKZMKUZEPQJ-UHFFFAOYSA-N -1 0 314.327 -0.942 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)OC)nc1 ZINC000547586717 381487250 /nfs/dbraw/zinc/48/72/50/381487250.db2.gz PCBUNTHOLUZIJO-UHFFFAOYSA-N -1 0 302.308 -0.037 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)CCC(=O)OCC)C(=O)[O-] ZINC000547608622 381488504 /nfs/dbraw/zinc/48/85/04/381488504.db2.gz HIBJYYVKNHQSDW-SCZZXKLOSA-N -1 0 311.356 -0.527 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)N(C)CCC(=O)OC)C(=O)[O-] ZINC000547611836 381488652 /nfs/dbraw/zinc/48/86/52/381488652.db2.gz VNOXHNMGRPQMTK-VIFPVBQESA-N -1 0 324.355 -0.862 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC000547615678 381488699 /nfs/dbraw/zinc/48/86/99/381488699.db2.gz RKIBQLPOFNYNPI-ZJUUUORDSA-N -1 0 324.399 -0.454 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-] ZINC000547616719 381488806 /nfs/dbraw/zinc/48/88/06/381488806.db2.gz AUTMLNRLPZUADA-WDEREUQCSA-N -1 0 313.335 -0.154 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000548212551 381519856 /nfs/dbraw/zinc/51/98/56/381519856.db2.gz AAPHQAWAIRPFLJ-ZJUUUORDSA-N -1 0 319.383 -0.904 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-] ZINC000548221099 381519896 /nfs/dbraw/zinc/51/98/96/381519896.db2.gz PDTDNVMLXSHPEM-SCZZXKLOSA-N -1 0 319.339 -0.778 20 0 DBADRM CCC[C@@](C)(CO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000135383665 381499184 /nfs/dbraw/zinc/49/91/84/381499184.db2.gz JHIFFRJEDNWTLV-AWEZNQCLSA-N -1 0 306.322 -0.108 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC000547868784 381499388 /nfs/dbraw/zinc/49/93/88/381499388.db2.gz MKPHTZRKYNWQBP-OPRDCNLKSA-N -1 0 323.367 -0.527 20 0 DBADRM C[C@H](CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)C(=O)[O-] ZINC000547868874 381499676 /nfs/dbraw/zinc/49/96/76/381499676.db2.gz UGBGGLKWPFZWHZ-MRVPVSSYSA-N -1 0 317.367 -0.274 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)NC[C@@H](C)C(=O)[O-] ZINC000547869615 381500649 /nfs/dbraw/zinc/50/06/49/381500649.db2.gz GZBUHKLEMGIRKJ-RXMQYKEDSA-N -1 0 308.337 -0.071 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000547906381 381501429 /nfs/dbraw/zinc/50/14/29/381501429.db2.gz NVVYLSXCFUYWRY-BDAKNGLRSA-N -1 0 303.340 -0.328 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000547907462 381501491 /nfs/dbraw/zinc/50/14/91/381501491.db2.gz QNSUBDATALOBMR-GHMZBOCLSA-N -1 0 322.383 -0.555 20 0 DBADRM CC(C)(CNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000547901844 381501673 /nfs/dbraw/zinc/50/16/73/381501673.db2.gz ONSCXZOTJNQZSZ-UHFFFAOYSA-N -1 0 301.386 -0.549 20 0 DBADRM CC(C)CCS(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000547893230 381501901 /nfs/dbraw/zinc/50/19/01/381501901.db2.gz CBOUCSIFRQSPPG-SNVBAGLBSA-N -1 0 306.384 -0.115 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N[C@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000548551175 381536840 /nfs/dbraw/zinc/53/68/40/381536840.db2.gz ZOTNKVIAOFQIQV-GHMZBOCLSA-N -1 0 319.383 -0.093 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])cn1C ZINC000548552478 381537066 /nfs/dbraw/zinc/53/70/66/381537066.db2.gz VCMBIYXJQSUPAG-SECBINFHSA-N -1 0 320.323 -0.810 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@@H](C)CCC(=O)[O-] ZINC000548544055 381537423 /nfs/dbraw/zinc/53/74/23/381537423.db2.gz UKUMAYBAAOZVOO-VIFPVBQESA-N -1 0 310.372 -0.183 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000548577254 381539577 /nfs/dbraw/zinc/53/95/77/381539577.db2.gz ORZJSBMKFUTLEY-PWSUYJOCSA-N -1 0 306.384 -0.004 20 0 DBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1cnc2n1CCC2 ZINC000548574240 381539734 /nfs/dbraw/zinc/53/97/34/381539734.db2.gz WHACWODMGTVLSA-MRVPVSSYSA-N -1 0 301.324 -0.697 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000548585905 381540979 /nfs/dbraw/zinc/54/09/79/381540979.db2.gz URFKXUUTMFZUBZ-DYBLOJMWSA-N -1 0 310.397 -0.910 20 0 DBADRM CN(CC1CC1)S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000548595722 381541372 /nfs/dbraw/zinc/54/13/72/381541372.db2.gz YYDRVFGSDOGRBW-UHFFFAOYSA-N -1 0 303.344 -0.961 20 0 DBADRM Nc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cc1 ZINC000548585992 381541720 /nfs/dbraw/zinc/54/17/20/381541720.db2.gz YZXGIMSIWPRGNI-OVWNDWIMSA-N -1 0 318.376 -0.525 20 0 DBADRM CC(C)CS(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000548586438 381541763 /nfs/dbraw/zinc/54/17/63/381541763.db2.gz VNRTZHCKISDRRD-MNOVXSKESA-N -1 0 318.395 -0.020 20 0 DBADRM CC[C@H](C)CS(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000548584797 381541891 /nfs/dbraw/zinc/54/18/91/381541891.db2.gz FYDVMONKKZJTFF-IUCAKERBSA-N -1 0 313.397 -0.454 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000548241686 381521634 /nfs/dbraw/zinc/52/16/34/381521634.db2.gz SQKXJTYZRKAAON-AEJSXWLSSA-N -1 0 310.372 -0.628 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)CCCS(C)(=O)=O)[C@@H]1C(=O)[O-] ZINC000548249127 381521895 /nfs/dbraw/zinc/52/18/95/381521895.db2.gz MBCQSAJAYLKLFM-IUCAKERBSA-N -1 0 313.397 -0.454 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C1CC1 ZINC000548262625 381523206 /nfs/dbraw/zinc/52/32/06/381523206.db2.gz OSSANSAYJUQMCW-ONGXEEELSA-N -1 0 315.351 -0.014 20 0 DBADRM CCC(=O)C[C@@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000548265689 381524149 /nfs/dbraw/zinc/52/41/49/381524149.db2.gz GZYMMKHSTAKFHG-SECBINFHSA-N -1 0 315.351 -0.070 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1cccc2c1OCCO2 ZINC000548268200 381524286 /nfs/dbraw/zinc/52/42/86/381524286.db2.gz ZOFJSTUUUZGWGK-UHFFFAOYSA-N -1 0 317.319 -0.163 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)C[C@H](C)C(=O)OC)C(=O)[O-] ZINC000548266421 381524323 /nfs/dbraw/zinc/52/43/23/381524323.db2.gz UJTGQIRDSWFIJJ-XHNCKOQMSA-N -1 0 311.356 -0.671 20 0 DBADRM COc1cccc(CS(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000548527397 381535140 /nfs/dbraw/zinc/53/51/40/381535140.db2.gz ZYVFJEGMIAQINM-UHFFFAOYSA-N -1 0 316.335 -0.685 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)CC1CCOCC1)C(=O)[O-] ZINC000548533444 381535417 /nfs/dbraw/zinc/53/54/17/381535417.db2.gz IGUGJTHYVLZXPS-JTQLQIEISA-N -1 0 323.367 -0.261 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)COC2)C(=O)[O-] ZINC000548527953 381535834 /nfs/dbraw/zinc/53/58/34/381535834.db2.gz PVDJURYSLYYTAJ-HQJQHLMTSA-N -1 0 301.320 -0.171 20 0 DBADRM COCCN(CCOC)C(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000551242451 381578670 /nfs/dbraw/zinc/57/86/70/381578670.db2.gz VLFCRKOJIUMCHD-WDEREUQCSA-N -1 0 304.343 -0.220 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000627273924 381554415 /nfs/dbraw/zinc/55/44/15/381554415.db2.gz MIYKNHUYMPMHDW-ZJUUUORDSA-N -1 0 313.354 -0.850 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)C1CC1 ZINC000548867763 381554881 /nfs/dbraw/zinc/55/48/81/381554881.db2.gz VFDCIBXVKYLDGX-KCJUWKMLSA-N -1 0 322.383 -0.185 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1cccc2c1OCO2 ZINC000549017571 381558710 /nfs/dbraw/zinc/55/87/10/381558710.db2.gz SUFDWEBXLAGGDW-UHFFFAOYSA-N -1 0 303.292 -0.205 20 0 DBADRM C[C@H](CNC(=O)c1c[n-]n2c1nccc2=O)CN1CCOCC1 ZINC000549763093 381565481 /nfs/dbraw/zinc/56/54/81/381565481.db2.gz GFPDVTVCTJBQGH-LLVKDONJSA-N -1 0 319.365 -0.279 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC2(CCO)CC2)c1 ZINC000615235586 381605502 /nfs/dbraw/zinc/60/55/02/381605502.db2.gz GXYNRNBBGIDAJD-UHFFFAOYSA-N -1 0 300.336 -0.316 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])c1 ZINC000092890172 381617822 /nfs/dbraw/zinc/61/78/22/381617822.db2.gz JTLWJQPQNMBTOT-ZETCQYMHSA-N -1 0 305.312 -0.802 20 0 DBADRM CC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000627276513 381619112 /nfs/dbraw/zinc/61/91/12/381619112.db2.gz HNJOFFQDFJTSHX-LLVKDONJSA-N -1 0 313.354 -0.515 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)NCCOCC(=O)[O-])c1 ZINC000093228412 381619380 /nfs/dbraw/zinc/61/93/80/381619380.db2.gz UXSRAQUKRIEGNO-UHFFFAOYSA-N -1 0 317.319 -0.147 20 0 DBADRM CN(C(=O)[C@H]1CSCN1C(=O)CCc1nnn[n-]1)C1CC1 ZINC000630867979 381624424 /nfs/dbraw/zinc/62/44/24/381624424.db2.gz NSAGONYEWRVBPD-SECBINFHSA-N -1 0 310.383 -0.345 20 0 DBADRM NC(=O)[C@H](c1ccc(F)cc1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000566301035 381649730 /nfs/dbraw/zinc/64/97/30/381649730.db2.gz KHWDWNASXJXGSC-NSHDSACASA-N -1 0 309.297 -0.419 20 0 DBADRM CC1(C(N)=O)CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1 ZINC000566174393 381640483 /nfs/dbraw/zinc/64/04/83/381640483.db2.gz RSSRIYOYYMCIFJ-UHFFFAOYSA-N -1 0 308.363 -0.184 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000566223859 381644525 /nfs/dbraw/zinc/64/45/25/381644525.db2.gz YUWGYJGFKCHMFX-YIZRAAEISA-N -1 0 304.368 -0.507 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000566911015 381675300 /nfs/dbraw/zinc/67/53/00/381675300.db2.gz PONJLUKUGGHFER-GFCCVEGCSA-N -1 0 317.367 -0.078 20 0 DBADRM COCCOC1CN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000566912228 381675320 /nfs/dbraw/zinc/67/53/20/381675320.db2.gz BGTRHJNUHCKYHU-JTQLQIEISA-N -1 0 322.383 -0.625 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000566911016 381675900 /nfs/dbraw/zinc/67/59/00/381675900.db2.gz PONJLUKUGGHFER-LBPRGKRZSA-N -1 0 317.367 -0.078 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(S(=O)(=O)N1CCOCC1)CC2 ZINC000405282422 381680554 /nfs/dbraw/zinc/68/05/54/381680554.db2.gz CRMPMAHSTWZFFO-SNVBAGLBSA-N -1 0 304.368 -0.250 20 0 DBADRM CCn1cc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])nc1C ZINC000567116473 381682041 /nfs/dbraw/zinc/68/20/41/381682041.db2.gz WYJGCMISNZFXEY-UHFFFAOYSA-N -1 0 318.355 -0.919 20 0 DBADRM C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)nc1)C(=O)[O-] ZINC000567234867 381687496 /nfs/dbraw/zinc/68/74/96/381687496.db2.gz OZXSTAQNYOCEGS-ZETCQYMHSA-N -1 0 301.324 -0.465 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCN(C)C(=O)C2)ccc1C(=O)[O-] ZINC000567636840 381705464 /nfs/dbraw/zinc/70/54/64/381705464.db2.gz IXCHELXAMGTHPT-UHFFFAOYSA-N -1 0 319.317 -0.068 20 0 DBADRM CCC(=O)C[C@@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000568001820 381729654 /nfs/dbraw/zinc/72/96/54/381729654.db2.gz IXZXHMLWOJHUNM-VXNVDRBHSA-N -1 0 308.356 -0.795 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])nn1 ZINC000568042734 381733226 /nfs/dbraw/zinc/73/32/26/381733226.db2.gz QMVJWFBAWDOCPG-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)N[C@H](COC)C(=O)[O-])cc1 ZINC000158601155 381746729 /nfs/dbraw/zinc/74/67/29/381746729.db2.gz ROSNTDOPOKGCSS-SNVBAGLBSA-N -1 0 316.335 -0.576 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1)C(=O)[O-] ZINC000158584416 381746819 /nfs/dbraw/zinc/74/68/19/381746819.db2.gz PBKCEGYSGAFYRE-JTQLQIEISA-N -1 0 317.319 -0.149 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000158610271 381747603 /nfs/dbraw/zinc/74/76/03/381747603.db2.gz XSTUCLFXLPVZOI-JTQLQIEISA-N -1 0 314.319 -0.441 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccsc1C(=O)OC)C(=O)[O-] ZINC000158595885 381747757 /nfs/dbraw/zinc/74/77/57/381747757.db2.gz SZVYGDHUYGFOOB-ZCFIWIBFSA-N -1 0 323.348 -0.087 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ncccn2)C1 ZINC000568288291 381755022 /nfs/dbraw/zinc/75/50/22/381755022.db2.gz ZIFMFOKCLXQHGW-VHSXEESVSA-N -1 0 306.322 -0.338 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000567863426 381720887 /nfs/dbraw/zinc/72/08/87/381720887.db2.gz OVUAJQBJLOHVAM-JTQLQIEISA-N -1 0 317.305 -0.093 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CC[C@H](N2CCCC2=O)C1 ZINC000567881302 381722861 /nfs/dbraw/zinc/72/28/61/381722861.db2.gz VYKFBQDHBAGWPQ-JTQLQIEISA-N -1 0 311.338 -0.809 20 0 DBADRM COCC1(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])CC1 ZINC000568989035 381781932 /nfs/dbraw/zinc/78/19/32/381781932.db2.gz GERPRZRPQTUHHE-DCXZOGHSSA-N -1 0 311.381 -0.987 20 0 DBADRM Cc1ccccc1CNC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000569106630 381787764 /nfs/dbraw/zinc/78/77/64/381787764.db2.gz LPGIJMWBPOAOMR-UHFFFAOYSA-N -1 0 319.361 -0.160 20 0 DBADRM Cc1noc(CCNS(=O)(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC000572758832 381800502 /nfs/dbraw/zinc/80/05/02/381800502.db2.gz ZMFIPYZOUAEKAD-UHFFFAOYSA-N -1 0 312.307 -0.008 20 0 DBADRM O=C([O-])[C@H]1COCCN1CCc1nnnn1-c1ccccc1 ZINC000569131481 381790557 /nfs/dbraw/zinc/79/05/57/381790557.db2.gz ZYHFWKYJAGVOEP-GFCCVEGCSA-N -1 0 303.322 -0.010 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-] ZINC000569231934 381792248 /nfs/dbraw/zinc/79/22/48/381792248.db2.gz ATBDHXDBUHYNEA-GHMZBOCLSA-N -1 0 309.384 -0.053 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)NCC1(C(=O)[O-])CCC1 ZINC000572625228 381795744 /nfs/dbraw/zinc/79/57/44/381795744.db2.gz LQSFCVAFPTYTKV-UHFFFAOYSA-N -1 0 313.397 -0.405 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-] ZINC000572697711 381796087 /nfs/dbraw/zinc/79/60/87/381796087.db2.gz OPOYKGBFIMLGFI-SECBINFHSA-N -1 0 310.372 -0.627 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000568617925 381765563 /nfs/dbraw/zinc/76/55/63/381765563.db2.gz AGMGEDSTITWVMI-WDEREUQCSA-N -1 0 310.350 -0.053 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000568628770 381768840 /nfs/dbraw/zinc/76/88/40/381768840.db2.gz ZMURBJWWWRRLKQ-NXEZZACHSA-N -1 0 306.384 -0.117 20 0 DBADRM CCc1nc([C@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)CCO2)n[nH]1 ZINC000568762084 381772937 /nfs/dbraw/zinc/77/29/37/381772937.db2.gz VWKKHJVSICTODO-IVZWLZJFSA-N -1 0 324.337 -0.101 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000573266459 381820682 /nfs/dbraw/zinc/82/06/82/381820682.db2.gz AFBIICGICRTWMU-QWRGUYRKSA-N -1 0 308.400 -0.024 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NCC(C)(C)C(=O)[O-])cn1C ZINC000164869897 381805062 /nfs/dbraw/zinc/80/50/62/381805062.db2.gz ZJPUSFYCJBSPHL-UHFFFAOYSA-N -1 0 317.367 -0.226 20 0 DBADRM CN(CCCNC(=O)C1CCC1)C(=O)c1cnc([O-])n(C)c1=O ZINC000573873727 381843610 /nfs/dbraw/zinc/84/36/10/381843610.db2.gz PTCQHTJLKPMVAE-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM COCCCN(C(=O)CCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000573090025 381812199 /nfs/dbraw/zinc/81/21/99/381812199.db2.gz YBLYEHGSTLMTSC-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000573115606 381814824 /nfs/dbraw/zinc/81/48/24/381814824.db2.gz FANLDYDALRUPAJ-FTLITQJKSA-N -1 0 301.324 -0.046 20 0 DBADRM O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1n[nH]c(=O)[n-]1 ZINC000574718320 381876129 /nfs/dbraw/zinc/87/61/29/381876129.db2.gz QXLCMLBATHRYOQ-SSDOTTSWSA-N -1 0 315.355 -0.803 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)[C@H]1CO ZINC000574799932 381877910 /nfs/dbraw/zinc/87/79/10/381877910.db2.gz ZAOCVOGAMVNQJR-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H](C)c1ccnn1C)[C@@H](C)C(=O)[O-] ZINC000573965986 381847565 /nfs/dbraw/zinc/84/75/65/381847565.db2.gz MQTNSNFUPGMISU-ZJUUUORDSA-N -1 0 310.354 -0.039 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)c(F)c1 ZINC000574134069 381852484 /nfs/dbraw/zinc/85/24/84/381852484.db2.gz BUGMBIFJZYZHJG-QUBYGPBYSA-N -1 0 307.299 -0.053 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C(=O)[O-])cn1C ZINC000574158375 381853262 /nfs/dbraw/zinc/85/32/62/381853262.db2.gz NUBULUCMKRLGJK-LAEOZQHASA-N -1 0 317.367 -0.020 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])o1 ZINC000574222454 381856690 /nfs/dbraw/zinc/85/66/90/381856690.db2.gz HECORMMSTXXPOK-ZETCQYMHSA-N -1 0 307.280 -0.556 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cc(C3CC3)no2)CCS1(=O)=O ZINC000574269314 381858118 /nfs/dbraw/zinc/85/81/18/381858118.db2.gz IKEWTBKATQZELX-JTQLQIEISA-N -1 0 314.319 -0.124 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cc(C3CC3)no2)CCS1(=O)=O ZINC000574269315 381858894 /nfs/dbraw/zinc/85/88/94/381858894.db2.gz IKEWTBKATQZELX-SNVBAGLBSA-N -1 0 314.319 -0.124 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cn2c(n1)CCC[C@H]2C)C(=O)[O-] ZINC000574545827 381869963 /nfs/dbraw/zinc/86/99/63/381869963.db2.gz XSGGIRRNHAXGKP-XLDPMVHQSA-N -1 0 317.367 -0.107 20 0 DBADRM CCS(=O)(=O)NCC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000575803715 381899121 /nfs/dbraw/zinc/89/91/21/381899121.db2.gz YLTKRBQQNMPIIF-UHFFFAOYSA-N -1 0 322.383 -0.592 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)C2(C(=O)[O-])CCCC2)C1 ZINC000575928681 381904510 /nfs/dbraw/zinc/90/45/10/381904510.db2.gz WCWKRHYZBIMBLV-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]1 ZINC000576255444 381917742 /nfs/dbraw/zinc/91/77/42/381917742.db2.gz VAYDSZQGZUFZSB-JGVFFNPUSA-N -1 0 317.371 -0.652 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000576399202 381922842 /nfs/dbraw/zinc/92/28/42/381922842.db2.gz IYRNBOZPSPGEBX-VIFPVBQESA-N -1 0 305.290 -0.343 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cn1 ZINC000576462247 381924971 /nfs/dbraw/zinc/92/49/71/381924971.db2.gz SIHQTFCJBWUKGO-DTORHVGOSA-N -1 0 303.340 -0.329 20 0 DBADRM CNS(=O)(=O)C1CCN(c2ncncc2C(=O)[O-])CC1 ZINC000575184828 381889247 /nfs/dbraw/zinc/88/92/47/381889247.db2.gz AJNMOBWSGMGEOH-UHFFFAOYSA-N -1 0 300.340 -0.307 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000575312515 381890803 /nfs/dbraw/zinc/89/08/03/381890803.db2.gz UZXGQKYOKGNUAT-UTUOFQBUSA-N -1 0 322.365 -0.043 20 0 DBADRM COCCN(CCOC)S(=O)(=O)NC(C)(C)CC(=O)[O-] ZINC000577337909 381959656 /nfs/dbraw/zinc/95/96/56/381959656.db2.gz YELKTTTTZDCYJB-UHFFFAOYSA-N -1 0 312.388 -0.331 20 0 DBADRM CCC[C@@H](CNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000577454366 381961515 /nfs/dbraw/zinc/96/15/15/381961515.db2.gz HGEKPVQLVLVDKS-VIFPVBQESA-N -1 0 315.413 -0.159 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000577497212 381963835 /nfs/dbraw/zinc/96/38/35/381963835.db2.gz VQASOTBNUPRPPG-XFWSIPNHSA-N -1 0 305.352 -0.347 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CCS1(=O)=O ZINC000577497210 381963963 /nfs/dbraw/zinc/96/39/63/381963963.db2.gz VQASOTBNUPRPPG-QCLAVDOMSA-N -1 0 305.352 -0.347 20 0 DBADRM CC(C)Oc1cncc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000577721495 381970835 /nfs/dbraw/zinc/97/08/35/381970835.db2.gz KYBLUNUZMSVVCD-VIFPVBQESA-N -1 0 315.351 -0.048 20 0 DBADRM Cn1cnc2cc(S(=O)(=O)NCCc3nc(=O)o[n-]3)ccc21 ZINC000576866325 381938638 /nfs/dbraw/zinc/93/86/38/381938638.db2.gz RJFZUXTZFAIAEA-UHFFFAOYSA-N -1 0 323.334 -0.229 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCCC2)C[C@@]12CCOC2 ZINC000577045042 381946056 /nfs/dbraw/zinc/94/60/56/381946056.db2.gz BMCOFAQOGWHMDD-CMPLNLGQSA-N -1 0 304.368 -0.250 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000577062953 381946312 /nfs/dbraw/zinc/94/63/12/381946312.db2.gz UNECIZSURRTVMI-QWRGUYRKSA-N -1 0 316.354 -0.665 20 0 DBADRM Cc1ccc(-n2[n-]nnc2=N[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000578240726 382006237 /nfs/dbraw/zinc/00/62/37/382006237.db2.gz FFCFHPUJXNVZRR-LLVKDONJSA-N -1 0 322.394 -0.162 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[S@](=O)C2)C[C@H]1C(=O)[O-] ZINC000578237128 382006905 /nfs/dbraw/zinc/00/69/05/382006905.db2.gz APUNYEXSFQYWCY-NZNBFCPWSA-N -1 0 316.379 -0.807 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC000577857009 381975175 /nfs/dbraw/zinc/97/51/75/381975175.db2.gz XFRPJBNYGLABJH-SJHCENCUSA-N -1 0 324.377 -0.215 20 0 DBADRM CC[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-] ZINC000578010093 381986462 /nfs/dbraw/zinc/98/64/62/381986462.db2.gz XLQXCGCYBVDHIV-QMMMGPOBSA-N -1 0 316.401 -0.950 20 0 DBADRM Cn1c(C(=O)NCCCC(=O)[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC000578073122 381991254 /nfs/dbraw/zinc/99/12/54/381991254.db2.gz DCRFAIXNDJZRQV-UHFFFAOYSA-N -1 0 322.321 -0.830 20 0 DBADRM CN1CCc2ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc21 ZINC000579004979 382046146 /nfs/dbraw/zinc/04/61/46/382046146.db2.gz BGSQMJZDJDJTAY-LLVKDONJSA-N -1 0 300.336 -0.597 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)CC2 ZINC000579473944 382069439 /nfs/dbraw/zinc/06/94/39/382069439.db2.gz UTPIERZUUJPWGU-MRVPVSSYSA-N -1 0 302.294 -0.180 20 0 DBADRM CCN(CCC(=O)[O-])S(=O)(=O)N(CCOC)CCOC ZINC000579468368 382069871 /nfs/dbraw/zinc/06/98/71/382069871.db2.gz AQLKWHGRGAUACW-UHFFFAOYSA-N -1 0 312.388 -0.377 20 0 DBADRM CO[C@H](CS(=O)(=O)NCC(=O)NCC(F)F)C1CC1 ZINC000579348670 382062353 /nfs/dbraw/zinc/06/23/53/382062353.db2.gz YGHNWRLWFHTKLT-MRVPVSSYSA-N -1 0 300.327 -0.288 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1nnc2c1CCCC2)c1nnn[n-]1 ZINC000579371646 382065345 /nfs/dbraw/zinc/06/53/45/382065345.db2.gz UBUQCWJFFNTRNT-SECBINFHSA-N -1 0 304.358 -0.068 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@@H]1CCCCO1)[C@@H]1CCOC1 ZINC000579424404 382066557 /nfs/dbraw/zinc/06/65/57/382066557.db2.gz KBPVPPQJLFZUTA-OUAUKWLOSA-N -1 0 307.368 -0.035 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(CO)CC2)C[C@H]1C(=O)[O-] ZINC000578532114 382021326 /nfs/dbraw/zinc/02/13/26/382021326.db2.gz BAALQINNCUSPEA-CMPLNLGQSA-N -1 0 312.366 -0.214 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000578550689 382024058 /nfs/dbraw/zinc/02/40/58/382024058.db2.gz LHMSOMVBLXFTIM-ONGXEEELSA-N -1 0 317.367 -0.425 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000578626496 382026213 /nfs/dbraw/zinc/02/62/13/382026213.db2.gz RPKOPDISIKCPNQ-LDYMZIIASA-N -1 0 319.317 -0.036 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NC[C@H](O)C(=O)[O-])CCCC1 ZINC000578751245 382031551 /nfs/dbraw/zinc/03/15/51/382031551.db2.gz AWCQNFVYGQGAKM-QMMMGPOBSA-N -1 0 309.340 -0.915 20 0 DBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H](C)C(=O)[O-])CC1 ZINC000578892020 382038119 /nfs/dbraw/zinc/03/81/19/382038119.db2.gz WBIABKQCFVLXET-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000579952427 382102387 /nfs/dbraw/zinc/10/23/87/382102387.db2.gz AYFKSMCWVRUGDK-NSHDSACASA-N -1 0 308.338 -0.145 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCc2nccn2C)C[C@H]1C(=O)[O-] ZINC000579953491 382102689 /nfs/dbraw/zinc/10/26/89/382102689.db2.gz JIZRTLKGCRDUJQ-VHSXEESVSA-N -1 0 308.338 -0.395 20 0 DBADRM COC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000579957592 382104544 /nfs/dbraw/zinc/10/45/44/382104544.db2.gz RAMGTGZSKTYVQT-CQSZACIVSA-N -1 0 310.306 -0.163 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N(C)CC(=O)[O-])cn1 ZINC000580892122 382118720 /nfs/dbraw/zinc/11/87/20/382118720.db2.gz CNXCXDXZZIFXJL-UHFFFAOYSA-N -1 0 301.324 -0.512 20 0 DBADRM O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1n[nH]c(=O)[n-]1 ZINC000580971480 382122694 /nfs/dbraw/zinc/12/26/94/382122694.db2.gz BUJZAKCKBCGGCA-VIFPVBQESA-N -1 0 308.342 -0.080 20 0 DBADRM CCCn1nccc1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000581082069 382129055 /nfs/dbraw/zinc/12/90/55/382129055.db2.gz GRWQSNMAICBZST-JTQLQIEISA-N -1 0 315.351 -0.383 20 0 DBADRM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC000360407089 382082618 /nfs/dbraw/zinc/08/26/18/382082618.db2.gz JVJYIVOFTGAYJX-RYUDHWBXSA-N -1 0 311.382 -0.280 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H](C)C1)C(=O)[O-] ZINC000579717466 382087954 /nfs/dbraw/zinc/08/79/54/382087954.db2.gz AVTQUWTUCICUIG-AEJSXWLSSA-N -1 0 323.367 -0.120 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)[C@H]1CCO[C@@H](C)C1)C(=O)[O-] ZINC000579717468 382087990 /nfs/dbraw/zinc/08/79/90/382087990.db2.gz AVTQUWTUCICUIG-GUBZILKMSA-N -1 0 323.367 -0.120 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)c2cnc3n2CCC3)CCOC1 ZINC000579808800 382094449 /nfs/dbraw/zinc/09/44/49/382094449.db2.gz DSFJXAVFRQXIEU-LLVKDONJSA-N -1 0 301.324 -0.649 20 0 DBADRM CC(C)(NC(=O)CNS(=O)(=O)c1ccccc1)c1nnn[n-]1 ZINC000581072932 382129253 /nfs/dbraw/zinc/12/92/53/382129253.db2.gz AXIUGTDWAAMOSD-UHFFFAOYSA-N -1 0 324.366 -0.471 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1cnn(C)c1C)C(=O)[O-] ZINC000581584430 382158362 /nfs/dbraw/zinc/15/83/62/382158362.db2.gz GFFMEYPHIBPSCH-WPRPVWTQSA-N -1 0 305.356 -0.379 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCCNC(=O)c1ccco1 ZINC000581607870 382161036 /nfs/dbraw/zinc/16/10/36/382161036.db2.gz AAMSWRVEKPBSMY-UHFFFAOYSA-N -1 0 311.294 -0.893 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCN2C(=O)CCC2=O)C[C@@H]1C(=O)[O-] ZINC000581605960 382161112 /nfs/dbraw/zinc/16/11/12/382161112.db2.gz JJMHRBQQRCENAV-ZJUUUORDSA-N -1 0 311.338 -0.112 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000581619009 382162569 /nfs/dbraw/zinc/16/25/69/382162569.db2.gz VSPDTTXZKQELSZ-XWLWVQCSSA-N -1 0 307.368 -0.349 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000581619010 382162799 /nfs/dbraw/zinc/16/27/99/382162799.db2.gz VSPDTTXZKQELSZ-ZRUFSTJUSA-N -1 0 307.368 -0.349 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)N3CC(O)(CO)C3)cc2=O)cc1 ZINC000615429305 382164328 /nfs/dbraw/zinc/16/43/28/382164328.db2.gz LQIBGHCJDWRNKT-UHFFFAOYSA-N -1 0 303.318 -0.347 20 0 DBADRM O=C([O-])[C@H]1CN(c2cc(N3CCC[C@@H]3CO)ncn2)CCO1 ZINC000581669349 382168494 /nfs/dbraw/zinc/16/84/94/382168494.db2.gz OLJATQPAQQHDQV-GHMZBOCLSA-N -1 0 308.338 -0.273 20 0 DBADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000384566727 382169032 /nfs/dbraw/zinc/16/90/32/382169032.db2.gz KINLYSHNUDBPBB-VIFPVBQESA-N -1 0 312.303 -0.135 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000581987547 382200988 /nfs/dbraw/zinc/20/09/88/382200988.db2.gz KFABLQHWTSKFGW-QCLAVDOMSA-N -1 0 323.367 -0.528 20 0 DBADRM Cn1ccnc1[C@H]1CCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000582003660 382210750 /nfs/dbraw/zinc/21/07/50/382210750.db2.gz SDQMWURXCIZHKD-JTQLQIEISA-N -1 0 308.338 -0.283 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000627277671 382212909 /nfs/dbraw/zinc/21/29/09/382212909.db2.gz SRLKJMIQOFGCBC-ZETCQYMHSA-N -1 0 322.243 -0.306 20 0 DBADRM C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)C(=O)NCCC(=O)[O-] ZINC000627277618 382213665 /nfs/dbraw/zinc/21/36/65/382213665.db2.gz QNBITDYPVYIFQY-HTRCEHHLSA-N -1 0 312.244 -0.245 20 0 DBADRM CN(C(=O)C(=O)NCC1(C(=O)[O-])CCC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000627281055 382215714 /nfs/dbraw/zinc/21/57/14/382215714.db2.gz VDCKVFTZOHWNME-DTORHVGOSA-N -1 0 311.338 -0.920 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC(=O)N1 ZINC000387392252 382217848 /nfs/dbraw/zinc/21/78/48/382217848.db2.gz ZVAIBGLPQOLWCP-ZCFIWIBFSA-N -1 0 304.349 -0.045 20 0 DBADRM COC[C@H]1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000081043561 382285852 /nfs/dbraw/zinc/28/58/52/382285852.db2.gz DEHLOLLCQUDHFO-VIFPVBQESA-N -1 0 303.340 -0.375 20 0 DBADRM COc1cccc(CNC(=O)C[C@@H]2NC(=O)NC2=O)c1OC ZINC000056747550 382270387 /nfs/dbraw/zinc/27/03/87/382270387.db2.gz PYMLFAFVPBFDHY-VIFPVBQESA-N -1 0 307.306 -0.082 20 0 DBADRM CCCN(CCC)S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000089696250 382334079 /nfs/dbraw/zinc/33/40/79/382334079.db2.gz OFEDYBQQCKJXBR-UHFFFAOYSA-N -1 0 319.387 -0.067 20 0 DBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2cncc(F)c2)nn1 ZINC000089696380 382334456 /nfs/dbraw/zinc/33/44/56/382334456.db2.gz SVNWYGGYJNJOLX-UHFFFAOYSA-N -1 0 315.286 -0.511 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H](O)C2CCC2)c1 ZINC000616119121 382336308 /nfs/dbraw/zinc/33/63/08/382336308.db2.gz VRDSUISRTQNLTC-LBPRGKRZSA-N -1 0 314.363 -0.070 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1 ZINC000090262668 382336389 /nfs/dbraw/zinc/33/63/89/382336389.db2.gz KFDHSRDABNBYTR-SECBINFHSA-N -1 0 303.292 -0.803 20 0 DBADRM O=C(CN1CSCC1=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000618488527 382361234 /nfs/dbraw/zinc/36/12/34/382361234.db2.gz WUIYLOPTOJVONE-LBPRGKRZSA-N -1 0 318.362 -0.062 20 0 DBADRM Cc1c(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cnn1C ZINC000402523837 382397668 /nfs/dbraw/zinc/39/76/68/382397668.db2.gz LZILFXQIYDJQJC-SNVBAGLBSA-N -1 0 313.339 -0.434 20 0 DBADRM CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000400134246 382389828 /nfs/dbraw/zinc/38/98/28/382389828.db2.gz SCYGWEBFCHNISS-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400116588 382390388 /nfs/dbraw/zinc/39/03/88/382390388.db2.gz IUGZJSIDEVCCRN-HLTSFMKQSA-N -1 0 304.368 -0.507 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)c2cc(C(=O)[O-])co2)C1 ZINC000400235293 382391194 /nfs/dbraw/zinc/39/11/94/382391194.db2.gz URHCSFIKYIHUJW-QMMMGPOBSA-N -1 0 302.308 -0.259 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000619708800 382421583 /nfs/dbraw/zinc/42/15/83/382421583.db2.gz SKYSUBFUSFICQW-LLVKDONJSA-N -1 0 309.340 -0.507 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000620823535 382456388 /nfs/dbraw/zinc/45/63/88/382456388.db2.gz CZVBQBFNXWAQMX-NEPJUHHUSA-N -1 0 310.350 -0.029 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCOCCF)c1 ZINC000621084282 382464337 /nfs/dbraw/zinc/46/43/37/382464337.db2.gz QLFJFJXFKJBMDW-UHFFFAOYSA-N -1 0 306.315 -0.245 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC000252872378 382467982 /nfs/dbraw/zinc/46/79/82/382467982.db2.gz UCJVUBRWLKYQQQ-KXUCPTDWSA-N -1 0 305.352 -0.346 20 0 DBADRM C[C@@H](NC(=O)CS(=O)(=O)N(C)C)c1ncc(C(=O)[O-])s1 ZINC000621612040 382492801 /nfs/dbraw/zinc/49/28/01/382492801.db2.gz QJEHRXXYALOMBP-ZCFIWIBFSA-N -1 0 321.380 -0.090 20 0 DBADRM COc1cccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000112333776 382481921 /nfs/dbraw/zinc/48/19/21/382481921.db2.gz HAYDBIOTGLOTDB-UHFFFAOYSA-N -1 0 302.308 -0.826 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C1CCCCC1 ZINC000621586286 382490354 /nfs/dbraw/zinc/49/03/54/382490354.db2.gz YATVOMOADYFSJZ-UWVGGRQHSA-N -1 0 304.368 -0.172 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000621584847 382491820 /nfs/dbraw/zinc/49/18/20/382491820.db2.gz JRKULMUGZOGLTG-ZDUSSCGKSA-N -1 0 313.354 -0.612 20 0 DBADRM CNC(=O)[C@H](CC(C)C)NC(=O)c1c[n-]n2c1nccc2=O ZINC000621933103 382525376 /nfs/dbraw/zinc/52/53/76/382525376.db2.gz VRVPOGXHKFKRCH-JTQLQIEISA-N -1 0 305.338 -0.087 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H]1OC ZINC000621954019 382529323 /nfs/dbraw/zinc/52/93/23/382529323.db2.gz FGNBHXCUQRTYEH-UMNHJUIQSA-N -1 0 306.322 -0.055 20 0 DBADRM CCOCCOCCCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000621792479 382506980 /nfs/dbraw/zinc/50/69/80/382506980.db2.gz FSJHKHSPPWOLKZ-UHFFFAOYSA-N -1 0 320.371 -0.020 20 0 DBADRM C[C@H]1CN(C(=O)N2CCS(=O)(=O)CC2)CC[C@H]1C(=O)[O-] ZINC000312754741 382509508 /nfs/dbraw/zinc/50/95/08/382509508.db2.gz ZRDDETLGTWZMSA-VHSXEESVSA-N -1 0 304.368 -0.121 20 0 DBADRM Cc1cc(CNC(=O)N(C)CC(=O)[O-])ccc1S(N)(=O)=O ZINC000621834065 382512767 /nfs/dbraw/zinc/51/27/67/382512767.db2.gz UFEWTYFDTLRKSQ-UHFFFAOYSA-N -1 0 315.351 -0.132 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000621835838 382512843 /nfs/dbraw/zinc/51/28/43/382512843.db2.gz OBTKMTGYOMMAQK-SNVBAGLBSA-N -1 0 311.338 -0.906 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000621836075 382512962 /nfs/dbraw/zinc/51/29/62/382512962.db2.gz WPLKLKMWWMRBPE-MNOVXSKESA-N -1 0 313.354 -0.804 20 0 DBADRM CC(C)N1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CC1=O ZINC000621839495 382513466 /nfs/dbraw/zinc/51/34/66/382513466.db2.gz UGWIRTSYAFLSNL-SECBINFHSA-N -1 0 303.322 -0.238 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C[C@H]1CO ZINC000622045853 382539753 /nfs/dbraw/zinc/53/97/53/382539753.db2.gz AELWUWUNIKXESR-JQWIXIFHSA-N -1 0 312.366 -0.214 20 0 DBADRM CCOc1ccc(N2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)nn1 ZINC000622184240 382553303 /nfs/dbraw/zinc/55/33/03/382553303.db2.gz UOKCOVWXMHMELP-UHFFFAOYSA-N -1 0 319.325 -0.339 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NCC(=O)NC2CC2)cc1 ZINC000631048059 382576561 /nfs/dbraw/zinc/57/65/61/382576561.db2.gz VBSHMUKQQPXGER-UHFFFAOYSA-N -1 0 302.338 -0.158 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC2COCCOC2)cn1 ZINC000627485318 382632761 /nfs/dbraw/zinc/63/27/61/382632761.db2.gz YYVFRNJAAJLLTL-UHFFFAOYSA-N -1 0 315.351 -0.402 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCn2cncn2)cn1 ZINC000624206424 382606029 /nfs/dbraw/zinc/60/60/29/382606029.db2.gz RUTGUNGGRCYOGP-UHFFFAOYSA-N -1 0 324.366 -0.135 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000624249815 382607340 /nfs/dbraw/zinc/60/73/40/382607340.db2.gz ZIOOUCSVJIKKQI-VIFPVBQESA-N -1 0 324.366 -0.137 20 0 DBADRM C[C@@H]1CN(C(=O)NCCN2C(=O)CCC2=O)CC[C@@H]1C(=O)[O-] ZINC000405373359 382645806 /nfs/dbraw/zinc/64/58/06/382645806.db2.gz DRFKUYOZBWUVGE-ZJUUUORDSA-N -1 0 311.338 -0.112 20 0 DBADRM CO[C@@H](C)c1nc(=N[C@@H](CO)CN2CCOCC2)s[n-]1 ZINC000631306768 382647076 /nfs/dbraw/zinc/64/70/76/382647076.db2.gz IWRBCUOUOHFEJT-VHSXEESVSA-N -1 0 302.400 -0.228 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000631834715 382652069 /nfs/dbraw/zinc/65/20/69/382652069.db2.gz DKMBTFPQOIWABH-VXGBXAGGSA-N -1 0 308.386 -0.108 20 0 DBADRM CC(F)(F)CCS(=O)(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000632188675 382663446 /nfs/dbraw/zinc/66/34/46/382663446.db2.gz STXXNRZCSOABMO-ZETCQYMHSA-N -1 0 311.310 -0.403 20 0 DBADRM CO[C@H]1CCCC[C@H]1S(=O)(=O)NCC(=O)N1CCOCC1 ZINC000632184990 382663572 /nfs/dbraw/zinc/66/35/72/382663572.db2.gz OSCNTZGLLJZHSA-NWDGAFQWSA-N -1 0 320.411 -0.278 20 0 DBADRM C[C@H]1CN(CC(C)(C)O)CCN1S(=O)(=O)c1ncc[n-]1 ZINC000632255811 382665102 /nfs/dbraw/zinc/66/51/02/382665102.db2.gz AHUTXRPXCDNYIG-JTQLQIEISA-N -1 0 302.400 -0.125 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2ncc[n-]2)CCN1CC(C)(C)O ZINC000632258013 382665359 /nfs/dbraw/zinc/66/53/59/382665359.db2.gz SLKDMKLCOPLMAB-SNVBAGLBSA-N -1 0 302.400 -0.125 20 0 DBADRM C[C@H]1C[C@@H](N2CCOCC2)CN1S(=O)(=O)c1ncc[n-]1 ZINC000632331634 382667642 /nfs/dbraw/zinc/66/76/42/382667642.db2.gz QKWWRZJBTMMMDI-WDEREUQCSA-N -1 0 300.384 -0.107 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC000632426844 382670273 /nfs/dbraw/zinc/67/02/73/382670273.db2.gz OEQZAYLXMYDAJT-SECBINFHSA-N -1 0 301.372 -0.166 20 0 DBADRM CS(=O)(=O)C1CN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC000632428085 382670360 /nfs/dbraw/zinc/67/03/60/382670360.db2.gz YPEIYNMJWZGSBW-UHFFFAOYSA-N -1 0 309.340 -0.051 20 0 DBADRM O=S(=O)(CCOCC(F)(F)F)N[C@@H]1COCC[C@H]1O ZINC000632707741 382676758 /nfs/dbraw/zinc/67/67/58/382676758.db2.gz FUBLSQSJXKEELH-HTQZYQBOSA-N -1 0 307.290 -0.366 20 0 DBADRM CC(C)O[C@@]1(CS(=O)(=O)N[C@@H]2COCC[C@H]2O)CCOC1 ZINC000632707410 382676796 /nfs/dbraw/zinc/67/67/96/382676796.db2.gz NNXGMCWLZUQXSD-UPJWGTAASA-N -1 0 323.411 -0.360 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CC(F)F)C1 ZINC000633064123 382680594 /nfs/dbraw/zinc/68/05/94/382680594.db2.gz SDNVDHFQCFFDIF-GFCCVEGCSA-N -1 0 308.281 -0.340 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000633063180 382680638 /nfs/dbraw/zinc/68/06/38/382680638.db2.gz FZQJGXMKZWHMJL-TUAOUCFPSA-N -1 0 312.366 -0.071 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(F)(F)C2)C1 ZINC000633062488 382680697 /nfs/dbraw/zinc/68/06/97/382680697.db2.gz BHKVFQBWAIXSCD-LBPRGKRZSA-N -1 0 320.292 -0.196 20 0 DBADRM C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000633063181 382680813 /nfs/dbraw/zinc/68/08/13/382680813.db2.gz FZQJGXMKZWHMJL-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C3CC3)C2)C1 ZINC000633066439 382680896 /nfs/dbraw/zinc/68/08/96/382680896.db2.gz KLCWPWUAJRJDMP-NWDGAFQWSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CCOC3)C2)C1 ZINC000633066399 382680903 /nfs/dbraw/zinc/68/09/03/382680903.db2.gz JIUNGRYHBKCSBU-XHDPSFHLSA-N -1 0 310.350 -0.051 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H]3C[C@H]3C2)C1 ZINC000633069485 382680942 /nfs/dbraw/zinc/68/09/42/382680942.db2.gz NGXRMQPDVSBMDX-PGUXBMHVSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](n3cccn3)C2)C1 ZINC000633071327 382680970 /nfs/dbraw/zinc/68/09/70/382680970.db2.gz AFCAFPVFONEIES-NWDGAFQWSA-N -1 0 320.349 -0.020 20 0 DBADRM CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000633067316 382680988 /nfs/dbraw/zinc/68/09/88/382680988.db2.gz HFFYCGCUYWVUCT-WOPDTQHZSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(CO)(CO)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000627524662 382636055 /nfs/dbraw/zinc/63/60/55/382636055.db2.gz TWWHBDYACROGAD-UHFFFAOYSA-N -1 0 317.367 -0.826 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000042701443 382695615 /nfs/dbraw/zinc/69/56/15/382695615.db2.gz BOXBYYXMTMHHSC-UWVGGRQHSA-N -1 0 306.384 -0.163 20 0 DBADRM CC(C)CCC(=O)NCC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000262485385 220435307 /nfs/dbraw/zinc/43/53/07/220435307.db2.gz LDNXHLZXQCCNOR-UHFFFAOYSA-N -1 0 300.355 -0.023 20 0 DBADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N(C)CC(N)=O ZINC000355403722 220613921 /nfs/dbraw/zinc/61/39/21/220613921.db2.gz KYIGAJNGWAHUPE-UHFFFAOYSA-N -1 0 316.335 -0.572 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NCc2nc(C(=O)[O-])cs2)c1=O ZINC000362810393 220827131 /nfs/dbraw/zinc/82/71/31/220827131.db2.gz YPQMYUMETQHWRX-UHFFFAOYSA-N -1 0 310.291 -0.429 20 0 DBADRM O=C([O-])C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000368149951 220881653 /nfs/dbraw/zinc/88/16/53/220881653.db2.gz KEKHZSINYGEOGV-VIFPVBQESA-N -1 0 304.310 -0.459 20 0 DBADRM COCCc1nc(=NCCCN2CCC[C@H]2C(N)=O)s[n-]1 ZINC000444822882 533328799 /nfs/dbraw/zinc/32/87/99/533328799.db2.gz CHRLEJYXMKVWMT-JTQLQIEISA-N -1 0 313.427 -0.099 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](C(=O)[O-])C1 ZINC000262475279 533600280 /nfs/dbraw/zinc/60/02/80/533600280.db2.gz JONRMZWUULRXRG-VHSXEESVSA-N -1 0 309.322 -0.741 20 0 DBADRM CCN1C[C@@H](C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])CC1=O ZINC000262152877 285433024 /nfs/dbraw/zinc/43/30/24/285433024.db2.gz BCIANTMMBHIZCX-ONGXEEELSA-N -1 0 313.354 -0.707 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCCCOCCO)o1 ZINC000272552102 130040712 /nfs/dbraw/zinc/04/07/12/130040712.db2.gz MHOCPOXPMXIRLZ-UHFFFAOYSA-N -1 0 306.340 -0.684 20 0 DBADRM O=C1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000353413889 130159423 /nfs/dbraw/zinc/15/94/23/130159423.db2.gz RJYHQQYZXOJRHD-UHFFFAOYSA-N -1 0 324.318 -0.210 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCCOCC(N)=O ZINC000273862862 130179304 /nfs/dbraw/zinc/17/93/04/130179304.db2.gz ZKUKBSIFSGTRMQ-UHFFFAOYSA-N -1 0 316.335 -0.527 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)C[C@H](O)CO ZINC000273952845 130190576 /nfs/dbraw/zinc/19/05/76/130190576.db2.gz YKJQDMKFQNMNAJ-JTQLQIEISA-N -1 0 316.379 -0.127 20 0 DBADRM O=C([O-])C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000274222809 130219569 /nfs/dbraw/zinc/21/95/69/130219569.db2.gz ZHTMLLLHLUVFGD-UHFFFAOYSA-N -1 0 312.347 -0.006 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(C)c1 ZINC000274874021 130268693 /nfs/dbraw/zinc/26/86/93/130268693.db2.gz BEVRLHZHVGGOJC-VIFPVBQESA-N -1 0 317.319 -0.495 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2CC(CO)C2)ccc1F ZINC000274886008 130270940 /nfs/dbraw/zinc/27/09/40/130270940.db2.gz YNIIVWBBUXQVSB-UHFFFAOYSA-N -1 0 302.327 -0.202 20 0 DBADRM CCOC(=O)N1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000274900228 130272327 /nfs/dbraw/zinc/27/23/27/130272327.db2.gz PDDMXRVIALKUCI-UHFFFAOYSA-N -1 0 315.355 -0.509 20 0 DBADRM COC(=O)c1c(F)cccc1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000274920506 130273616 /nfs/dbraw/zinc/27/36/16/130273616.db2.gz MTNCWBQTLRUUMU-SSDOTTSWSA-N -1 0 321.282 -0.664 20 0 DBADRM CCOc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cn1 ZINC000274924009 130274568 /nfs/dbraw/zinc/27/45/68/130274568.db2.gz NMXBQJKSTKEJAL-XCBNKYQSSA-N -1 0 304.324 -0.407 20 0 DBADRM C[C@H]1Cc2cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])ccc2O1 ZINC000274935938 130275038 /nfs/dbraw/zinc/27/50/38/130275038.db2.gz PVXGBCNYEFOLEW-XVKPBYJWSA-N -1 0 301.320 -0.266 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])sc1C ZINC000274979129 130279274 /nfs/dbraw/zinc/27/92/74/130279274.db2.gz XKINOHJVXKBJQI-SSDOTTSWSA-N -1 0 306.365 -0.028 20 0 DBADRM COc1cc(OC)cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000274995495 130280059 /nfs/dbraw/zinc/28/00/59/130280059.db2.gz ZVKUCZRLZSLZAD-JTQLQIEISA-N -1 0 305.308 -0.572 20 0 DBADRM COCCOCCS(=O)(=O)NCc1nc(C(=O)[O-])cs1 ZINC000275009105 130283099 /nfs/dbraw/zinc/28/30/99/130283099.db2.gz PMEJULIOOKHHLD-UHFFFAOYSA-N -1 0 324.380 -0.076 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])oc1C ZINC000275067174 130289292 /nfs/dbraw/zinc/28/92/92/130289292.db2.gz KOFNCBPFILDHJJ-QMMMGPOBSA-N -1 0 321.307 -0.511 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)cn1 ZINC000275077521 130289728 /nfs/dbraw/zinc/28/97/28/130289728.db2.gz XXMLCBNAHMKLOD-UWVGGRQHSA-N -1 0 315.351 -0.163 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)NCCSCC(=O)[O-])cc1 ZINC000275068755 130289977 /nfs/dbraw/zinc/28/99/77/130289977.db2.gz WDYUFROJLDYXKG-UHFFFAOYSA-N -1 0 318.376 -0.118 20 0 DBADRM CN(C)S(=O)(=O)N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000275108565 130291276 /nfs/dbraw/zinc/29/12/76/130291276.db2.gz RQQRHVIVHPQYID-VIFPVBQESA-N -1 0 316.335 -0.193 20 0 DBADRM Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc12 ZINC000275135400 130293012 /nfs/dbraw/zinc/29/30/12/130293012.db2.gz WAQLJNWCVKYRBV-VIFPVBQESA-N -1 0 314.323 -0.999 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])s1 ZINC000275150105 130294819 /nfs/dbraw/zinc/29/48/19/130294819.db2.gz YMTIYJQONKHZDA-YFKPBYRVSA-N -1 0 309.321 -0.742 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])s1 ZINC000275164837 130295313 /nfs/dbraw/zinc/29/53/13/130295313.db2.gz BAYHYICRSHHGJN-YFKPBYRVSA-N -1 0 309.321 -0.742 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(CCO)CC(=O)[O-])cs1 ZINC000275232391 130300080 /nfs/dbraw/zinc/30/00/80/130300080.db2.gz FTUNXPVCMXGROJ-UHFFFAOYSA-N -1 0 323.348 -0.398 20 0 DBADRM Cn1cc(C[C@H](NS(=O)(=O)C[C@H]2CCCO2)C(=O)[O-])cn1 ZINC000275265198 130300710 /nfs/dbraw/zinc/30/07/10/130300710.db2.gz MRPAMNCYONEFFB-MNOVXSKESA-N -1 0 317.367 -0.486 20 0 DBADRM CCCCN(C)S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275288691 130302828 /nfs/dbraw/zinc/30/28/28/130302828.db2.gz PDPPVOQPDYUAJN-LLVKDONJSA-N -1 0 318.399 -0.018 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])c[nH]1 ZINC000275319162 130303846 /nfs/dbraw/zinc/30/38/46/130303846.db2.gz SCDUONHPGOEJBC-VIFPVBQESA-N -1 0 313.339 -0.574 20 0 DBADRM COCCCCS(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275358398 130307754 /nfs/dbraw/zinc/30/77/54/130307754.db2.gz XEMRTZWGWCAAKI-LLVKDONJSA-N -1 0 319.383 -0.238 20 0 DBADRM Cc1nc(C)c(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])s1 ZINC000275380373 130310453 /nfs/dbraw/zinc/31/04/53/130310453.db2.gz XNFWYAHTEPYIPO-HTQZYQBOSA-N -1 0 306.365 -0.032 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cccc(N)c1)C(=O)[O-] ZINC000275375744 130311126 /nfs/dbraw/zinc/31/11/26/130311126.db2.gz ZEPKQEQMBCHDGU-JTQLQIEISA-N -1 0 316.335 -0.047 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])s1 ZINC000275369471 130311405 /nfs/dbraw/zinc/31/14/05/130311405.db2.gz YMTIYJQONKHZDA-RXMQYKEDSA-N -1 0 309.321 -0.742 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])o1 ZINC000275392712 130315423 /nfs/dbraw/zinc/31/54/23/130315423.db2.gz YJZXXVDJXPLEED-UHFFFAOYSA-N -1 0 307.280 -0.866 20 0 DBADRM CCOc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cn1 ZINC000275399249 130315780 /nfs/dbraw/zinc/31/57/80/130315780.db2.gz YVTNPFRQMMIJSE-SCZZXKLOSA-N -1 0 316.335 -0.311 20 0 DBADRM COc1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])ccc1F ZINC000276202319 130455095 /nfs/dbraw/zinc/45/50/95/130455095.db2.gz JQPRQVPUMRDEDK-MRVPVSSYSA-N -1 0 320.298 -0.559 20 0 DBADRM COC(=O)C[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)CCO1 ZINC000178812356 391938787 /nfs/dbraw/zinc/93/87/87/391938787.db2.gz JSJBXZDAUQKDMB-LLVKDONJSA-N -1 0 306.322 -0.214 20 0 DBADRM O=C(Nc1cnn(CCN2CCOCC2)c1)c1cc(=O)[nH][n-]1 ZINC000646798662 391940397 /nfs/dbraw/zinc/94/03/97/391940397.db2.gz HPLHEJAAKFZTJL-UHFFFAOYSA-N -1 0 306.326 -0.104 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000277137291 130584110 /nfs/dbraw/zinc/58/41/10/130584110.db2.gz PJQNDXBSDOFPPM-ZETCQYMHSA-N -1 0 322.287 -0.321 20 0 DBADRM CS(=O)(=O)c1ccc(NCCn2cc(C(=O)[O-])nn2)nc1 ZINC000314284423 391980623 /nfs/dbraw/zinc/98/06/23/391980623.db2.gz KAWDGCNXZKCKEM-UHFFFAOYSA-N -1 0 311.323 -0.113 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000649455879 392072930 /nfs/dbraw/zinc/07/29/30/392072930.db2.gz KGOWEWUNYGDLNK-NXEZZACHSA-N -1 0 304.306 -0.323 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)c1ccc(C(=O)[O-])cn1 ZINC000649457434 392073177 /nfs/dbraw/zinc/07/31/77/392073177.db2.gz OSMXXJHZRXNNLG-UHFFFAOYSA-N -1 0 315.351 -0.161 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC000649457082 392073500 /nfs/dbraw/zinc/07/35/00/392073500.db2.gz FPUGAEHCGZYNQN-UHFFFAOYSA-N -1 0 307.372 -0.952 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000649453119 392073951 /nfs/dbraw/zinc/07/39/51/392073951.db2.gz BWCPDGPQTLNRSF-BDAKNGLRSA-N -1 0 306.384 -0.069 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1cn(C)nc1C ZINC000554430078 392093162 /nfs/dbraw/zinc/09/31/62/392093162.db2.gz DRVMWGBWNFAGLL-UHFFFAOYSA-N -1 0 305.356 -0.160 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N[C@H](CCF)C(=O)[O-])C1 ZINC000649530933 392087099 /nfs/dbraw/zinc/08/70/99/392087099.db2.gz POYCGINGRJGULM-HTQZYQBOSA-N -1 0 311.335 -0.868 20 0 DBADRM CN1CC[C@H](C(=O)N=c2cc(C(F)(F)F)[n-][nH]2)S1(=O)=O ZINC000649214158 392019387 /nfs/dbraw/zinc/01/93/87/392019387.db2.gz GVAGYCQRRPSNNC-RXMQYKEDSA-N -1 0 312.273 -0.177 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCSC[C@@H]2CC(=O)[O-])S1(=O)=O ZINC000649244637 392023060 /nfs/dbraw/zinc/02/30/60/392023060.db2.gz PVITVZQRLWZVSX-IUCAKERBSA-N -1 0 322.408 -0.561 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)S1(=O)=O ZINC000649243918 392023362 /nfs/dbraw/zinc/02/33/62/392023362.db2.gz DXERYPLNGKCCCS-GHMZBOCLSA-N -1 0 312.347 -0.038 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])S1(=O)=O ZINC000649249853 392023567 /nfs/dbraw/zinc/02/35/67/392023567.db2.gz SBAZGNVAIZUEIB-NTSWFWBYSA-N -1 0 318.273 -0.458 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000649257396 392024134 /nfs/dbraw/zinc/02/41/34/392024134.db2.gz IMDUDNSKEQFNQY-NXEZZACHSA-N -1 0 320.367 -0.888 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H](CC(F)F)C(=O)[O-])S1(=O)=O ZINC000649251351 392024313 /nfs/dbraw/zinc/02/43/13/392024313.db2.gz WZVDMEXGKVWVNT-NTSWFWBYSA-N -1 0 300.283 -0.755 20 0 DBADRM Cc1ccc(C(=O)C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000278580159 130703644 /nfs/dbraw/zinc/70/36/44/130703644.db2.gz JKQRBTXOBOSKRP-UHFFFAOYSA-N -1 0 312.347 -0.240 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)[O-] ZINC000554432731 392092469 /nfs/dbraw/zinc/09/24/69/392092469.db2.gz SNVODAYZNPWRSJ-WPRPVWTQSA-N -1 0 305.356 -0.379 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000554429684 392092559 /nfs/dbraw/zinc/09/25/59/392092559.db2.gz IELANHDEFMKLTR-SNVBAGLBSA-N -1 0 313.339 -0.434 20 0 DBADRM CS(=O)(=O)NC1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC000649383966 392061040 /nfs/dbraw/zinc/06/10/40/392061040.db2.gz MSKPVFMJIDILRG-UHFFFAOYSA-N -1 0 300.340 -0.307 20 0 DBADRM Nc1nsc(N2CCN(c3cncc(C(=O)[O-])n3)CC2)n1 ZINC000649396566 392062879 /nfs/dbraw/zinc/06/28/79/392062879.db2.gz VMQRGANZWYYCBT-UHFFFAOYSA-N -1 0 307.339 -0.235 20 0 DBADRM CNS(=O)(=O)C1CCN(c2cncc(C(=O)[O-])n2)CC1 ZINC000649389182 392063469 /nfs/dbraw/zinc/06/34/69/392063469.db2.gz UOQBAVOEMWXNTL-UHFFFAOYSA-N -1 0 300.340 -0.307 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cncnc1-n1cccn1 ZINC000278638148 130708921 /nfs/dbraw/zinc/70/89/21/130708921.db2.gz UYZAPMLXDSENQK-SECBINFHSA-N -1 0 324.366 -0.119 20 0 DBADRM O=C([O-])c1cncc(N2CCC[C@](O)(Cn3ccnn3)C2)n1 ZINC000649399432 392064820 /nfs/dbraw/zinc/06/48/20/392064820.db2.gz JADHOOSTRJIICB-CYBMUJFWSA-N -1 0 304.310 -0.202 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000554531448 392095580 /nfs/dbraw/zinc/09/55/80/392095580.db2.gz AYNKTHJFTPVNCE-IUCAKERBSA-N -1 0 323.367 -0.405 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000554531440 392095647 /nfs/dbraw/zinc/09/56/47/392095647.db2.gz AJSAHYDNBAQUDF-WCBMZHEXSA-N -1 0 303.340 -0.503 20 0 DBADRM O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000555070025 392103727 /nfs/dbraw/zinc/10/37/27/392103727.db2.gz KREQPEYQGCSDGE-NNYUYHANSA-N -1 0 307.354 -0.043 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)cc1 ZINC000555129796 392104222 /nfs/dbraw/zinc/10/42/22/392104222.db2.gz RWTBVKLGOBHUHM-NOZJJQNGSA-N -1 0 310.331 -0.119 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1nnn[n-]1 ZINC000555525872 392107353 /nfs/dbraw/zinc/10/73/53/392107353.db2.gz QDHUBNHKTGZNIY-BBBLOLIVSA-N -1 0 310.358 -0.603 20 0 DBADRM Cn1c(=O)c2cc(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])cnc2n(C)c1=O ZINC000647780003 392350214 /nfs/dbraw/zinc/35/02/14/392350214.db2.gz UJRNDEQJBILBIE-HTQZYQBOSA-N -1 0 318.289 -0.709 20 0 DBADRM C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000284238738 131062151 /nfs/dbraw/zinc/06/21/51/131062151.db2.gz KSRYCXHEAFSCKG-BDAKNGLRSA-N -1 0 323.353 -0.081 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1)C(=O)[O-] ZINC000035233007 392357510 /nfs/dbraw/zinc/35/75/10/392357510.db2.gz JERFBXFKLNQRAR-SECBINFHSA-N -1 0 316.335 -0.064 20 0 DBADRM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cn[nH]c2)c1 ZINC000035732249 392364949 /nfs/dbraw/zinc/36/49/49/392364949.db2.gz OJLAECZOUJIIPN-UHFFFAOYSA-N -1 0 302.337 -0.142 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])cc1 ZINC000037463202 392375947 /nfs/dbraw/zinc/37/59/47/392375947.db2.gz NLVJKBGOXMIFDK-VIFPVBQESA-N -1 0 316.360 -0.066 20 0 DBADRM CCC[C@@H](NS(=O)(=O)c1cc(C(=O)NC)n(C)c1)C(=O)[O-] ZINC000036838107 392366808 /nfs/dbraw/zinc/36/68/08/392366808.db2.gz OTLWQWDLYQLIDH-SECBINFHSA-N -1 0 317.367 -0.084 20 0 DBADRM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000036736243 392367023 /nfs/dbraw/zinc/36/70/23/392367023.db2.gz BESIKXPCFDGZTQ-UHFFFAOYSA-N -1 0 313.339 -0.775 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C)CC(=O)[O-] ZINC000037465478 392376048 /nfs/dbraw/zinc/37/60/48/392376048.db2.gz NOGAUBZYBPZROL-IUCAKERBSA-N -1 0 308.356 -0.289 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1nncn1C ZINC000037034054 392370060 /nfs/dbraw/zinc/37/00/60/392370060.db2.gz UHOPDWQSMIUFCV-SSDOTTSWSA-N -1 0 313.339 -0.109 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c(OC)c1 ZINC000037405920 392373561 /nfs/dbraw/zinc/37/35/61/392373561.db2.gz SIHILKSXXCJQBJ-HQJQHLMTSA-N -1 0 319.335 -0.184 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)CC(=O)[O-])cn1C ZINC000037419014 392373650 /nfs/dbraw/zinc/37/36/50/392373650.db2.gz DLHVNGTUQRPSKT-ZETCQYMHSA-N -1 0 303.340 -0.474 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1C ZINC000037462759 392374010 /nfs/dbraw/zinc/37/40/10/392374010.db2.gz KSAHEOYBGWSCNR-VIFPVBQESA-N -1 0 316.335 -0.389 20 0 DBADRM CCOC(=O)[C@H](C)[C@H](C)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000286062184 131218250 /nfs/dbraw/zinc/21/82/50/131218250.db2.gz LZCQRQLMVSQJRH-RQJHMYQMSA-N -1 0 302.356 -0.106 20 0 DBADRM CCOC(=O)[C@H](C)[C@@H](C)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000286062170 131218253 /nfs/dbraw/zinc/21/82/53/131218253.db2.gz LZCQRQLMVSQJRH-RNFRBKRXSA-N -1 0 302.356 -0.106 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC000215147988 392374844 /nfs/dbraw/zinc/37/48/44/392374844.db2.gz RKKQNNJJVXQGIH-MRVPVSSYSA-N -1 0 310.397 -0.367 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000646911044 392385936 /nfs/dbraw/zinc/38/59/36/392385936.db2.gz MYTLBDGBAHQMDP-QMMMGPOBSA-N -1 0 308.342 -0.960 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)C(=O)c1ccc(O)cc1 ZINC000287026377 131260442 /nfs/dbraw/zinc/26/04/42/131260442.db2.gz FMRHVUALDNXIIC-UHFFFAOYSA-N -1 0 300.336 -0.370 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CF)C(=O)OC ZINC000287405705 131279006 /nfs/dbraw/zinc/27/90/06/131279006.db2.gz KYYCDUQQGVHTCD-ZETCQYMHSA-N -1 0 323.302 -0.624 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000287589555 131288918 /nfs/dbraw/zinc/28/89/18/131288918.db2.gz QGUBKWMIPURFRU-UHFFFAOYSA-N -1 0 317.367 -0.112 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H](CO)Cc1ccccc1 ZINC000288814695 131340339 /nfs/dbraw/zinc/34/03/39/131340339.db2.gz ZTCSIQPHNWAZDI-SNVBAGLBSA-N -1 0 308.363 -0.090 20 0 DBADRM O=C(CNC(=O)c1ccc2oc(=O)nc-2[n-]1)N1CCOCC1 ZINC000646953461 392390681 /nfs/dbraw/zinc/39/06/81/392390681.db2.gz MMZDQLTXRZLDDW-UHFFFAOYSA-N -1 0 306.278 -0.483 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cn1 ZINC000289033385 131353129 /nfs/dbraw/zinc/35/31/29/131353129.db2.gz WREVCDAASCLOHG-MRVPVSSYSA-N -1 0 312.355 -0.600 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)CCc1scnc1C ZINC000289057578 131354684 /nfs/dbraw/zinc/35/46/84/131354684.db2.gz FZGAFSDDHDIYDU-MRVPVSSYSA-N -1 0 308.381 -0.553 20 0 DBADRM O=C(CN1CCOCC1=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000289156610 131362508 /nfs/dbraw/zinc/36/25/08/131362508.db2.gz XVWXJHVQWHRLTH-UHFFFAOYSA-N -1 0 317.305 -0.438 20 0 DBADRM Cc1nc(=NC(=O)c2ccc(S(N)(=O)=O)c(C)c2)[n-]n1C ZINC000646986330 392396693 /nfs/dbraw/zinc/39/66/93/392396693.db2.gz HKHLWSJZENQPSM-UHFFFAOYSA-N -1 0 309.351 -0.246 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1COC[C@@H]1OC ZINC000289519570 131392751 /nfs/dbraw/zinc/39/27/51/131392751.db2.gz LHPAOPDWANWKQX-BQBZGAKWSA-N -1 0 322.364 -0.378 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000037417827 392417253 /nfs/dbraw/zinc/41/72/53/392417253.db2.gz AWKBMMIYHNNHQY-UHFFFAOYSA-N -1 0 307.349 -0.205 20 0 DBADRM CCC[C@H](O)[C@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000556417218 392421955 /nfs/dbraw/zinc/42/19/55/392421955.db2.gz VXDUVXPLSABYFZ-UTLUCORTSA-N -1 0 322.383 -0.571 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000556773989 392427319 /nfs/dbraw/zinc/42/73/19/392427319.db2.gz URNSUARWNSRHPQ-ZJUUUORDSA-N -1 0 317.367 -0.113 20 0 DBADRM CCS(=O)(=O)CC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000558001755 392441584 /nfs/dbraw/zinc/44/15/84/392441584.db2.gz JWVZLGRHMKTREJ-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)c2ccc(O)cc2)C1 ZINC000582128280 392529378 /nfs/dbraw/zinc/52/93/78/392529378.db2.gz GTJQSOWTYLDJLL-SNVBAGLBSA-N -1 0 312.347 -0.275 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2CC[NH2+]C[C@H]2C)c(C)o1 ZINC000125294905 392544401 /nfs/dbraw/zinc/54/44/01/392544401.db2.gz TZMCUYLPMZEPPP-MRVPVSSYSA-N -1 0 301.368 -0.070 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(F)(F)F ZINC000424245496 392477661 /nfs/dbraw/zinc/47/76/61/392477661.db2.gz PAXSRWFHDUMOHW-WDSKDSINSA-N -1 0 303.258 -0.105 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1 ZINC000040699238 392480971 /nfs/dbraw/zinc/48/09/71/392480971.db2.gz FYQRZAMQLYJVAM-SNVBAGLBSA-N -1 0 317.319 -0.413 20 0 DBADRM COC(=O)c1sccc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC000040699261 392481280 /nfs/dbraw/zinc/48/12/80/392481280.db2.gz KIUHHTNVONCLBW-LURJTMIESA-N -1 0 323.348 -0.351 20 0 DBADRM O=C(CN1CCCCCCC1=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000370856360 392506839 /nfs/dbraw/zinc/50/68/39/392506839.db2.gz LBIYQLVTIVWKIL-LLVKDONJSA-N -1 0 322.369 -0.108 20 0 DBADRM CN(C)S(=O)(=O)N[C@@H](Cc1c[nH]c2cccnc12)C(=O)[O-] ZINC000555955148 392507551 /nfs/dbraw/zinc/50/75/51/392507551.db2.gz RSYDFOCILDQBJP-JTQLQIEISA-N -1 0 312.351 -0.045 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000370859976 392507720 /nfs/dbraw/zinc/50/77/20/392507720.db2.gz INUNNNWPJBTPQQ-SECBINFHSA-N -1 0 310.358 -0.348 20 0 DBADRM CCCC(=O)N1CCC[C@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000370863458 392508693 /nfs/dbraw/zinc/50/86/93/392508693.db2.gz WBDXZADANIIFTC-QWRGUYRKSA-N -1 0 322.369 -0.109 20 0 DBADRM CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037838929 392514766 /nfs/dbraw/zinc/51/47/66/392514766.db2.gz ASRUTIRBKYOGMO-VIFPVBQESA-N -1 0 301.324 -0.388 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](C)CC(=O)[O-] ZINC000427731993 392552994 /nfs/dbraw/zinc/55/29/94/392552994.db2.gz SRDGBJWFUMWHTF-JGVFFNPUSA-N -1 0 318.355 -0.934 20 0 DBADRM NC(=O)Cn1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)nn1 ZINC000427982200 392565003 /nfs/dbraw/zinc/56/50/03/392565003.db2.gz HSOGWIHZXSEFRM-UHFFFAOYSA-N -1 0 303.278 -0.608 20 0 DBADRM Cc1cnc(C(=O)Nc2cnn(CC(=O)NCCO)c2)c([O-])c1 ZINC000428015553 392568356 /nfs/dbraw/zinc/56/83/56/392568356.db2.gz DYUMXLISBCLTOP-UHFFFAOYSA-N -1 0 319.321 -0.347 20 0 DBADRM CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000443521627 392572582 /nfs/dbraw/zinc/57/25/82/392572582.db2.gz JLXJCSBVMCPLFB-XPUUQOCRSA-N -1 0 305.360 -0.910 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000643849146 392573445 /nfs/dbraw/zinc/57/34/45/392573445.db2.gz UWCXQSWFNUBSPA-BXKDBHETSA-N -1 0 305.352 -0.487 20 0 DBADRM COc1ncccc1C(=O)N1Cc2nncn2C[C@@H]1C(=O)[O-] ZINC000643858975 392573568 /nfs/dbraw/zinc/57/35/68/392573568.db2.gz SQPYTIAWDLGOGY-SECBINFHSA-N -1 0 303.278 -0.209 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CN1CSCC1=O ZINC000643847757 392573585 /nfs/dbraw/zinc/57/35/85/392573585.db2.gz OHCVSOFFFQTOFU-GFCCVEGCSA-N -1 0 302.352 -0.389 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)N(C)C)o1 ZINC000360030360 392582452 /nfs/dbraw/zinc/58/24/52/392582452.db2.gz WDLIVSPEDLYOKC-SSDOTTSWSA-N -1 0 304.324 -0.179 20 0 DBADRM CCC(=O)N1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC000363629531 392582825 /nfs/dbraw/zinc/58/28/25/392582825.db2.gz AUKJBQDAHLCVGG-SNVBAGLBSA-N -1 0 310.354 -0.555 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NC)cc1)C(=O)[O-] ZINC000647488043 392596246 /nfs/dbraw/zinc/59/62/46/392596246.db2.gz RKKHVDIFTLOKPM-JTQLQIEISA-N -1 0 307.306 -0.036 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)[O-] ZINC000647489088 392596303 /nfs/dbraw/zinc/59/63/03/392596303.db2.gz NNOYMASBFJEWAP-QWRGUYRKSA-N -1 0 324.337 -0.020 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647491145 392597380 /nfs/dbraw/zinc/59/73/80/392597380.db2.gz DNHJDKGEEVMABZ-DTWKUNHWSA-N -1 0 321.337 -0.149 20 0 DBADRM CC[C@H](NC(=O)C(=O)N=c1ccn([C@@H](C)COC)[nH]1)C(=O)[O-] ZINC000647489543 392597953 /nfs/dbraw/zinc/59/79/53/392597953.db2.gz LWFKOXNVFZAQMF-IUCAKERBSA-N -1 0 312.326 -0.570 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccnn1C ZINC000643971311 392602922 /nfs/dbraw/zinc/60/29/22/392602922.db2.gz IXURDLVCFQJUGQ-LLVKDONJSA-N -1 0 303.340 -0.326 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C[C@H]1CCOC1 ZINC000643972042 392603301 /nfs/dbraw/zinc/60/33/01/392603301.db2.gz JDYRLCMNGFPAJC-CMPLNLGQSA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)NCCC(=O)N2CCOCC2)C1 ZINC000317506312 392611449 /nfs/dbraw/zinc/61/14/49/392611449.db2.gz FKQFSUKHVZITBI-NSHDSACASA-N -1 0 313.354 -0.259 20 0 DBADRM C[C@@]1(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCCOC1 ZINC000424231243 392665583 /nfs/dbraw/zinc/66/55/83/392665583.db2.gz AYOZYKUUFLVFSM-BXKDBHETSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@H](O)C2CCCCC2)CCS1(=O)=O ZINC000424255577 392667138 /nfs/dbraw/zinc/66/71/38/392667138.db2.gz ZXGSKKXSSYCVAK-GHMZBOCLSA-N -1 0 319.379 -0.362 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)COc2cccnc2)CCS1(=O)=O ZINC000424240971 392667246 /nfs/dbraw/zinc/66/72/46/392667246.db2.gz KUKXVZBLNYJBEO-JTQLQIEISA-N -1 0 314.319 -0.829 20 0 DBADRM Cc1nccc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424378845 392668694 /nfs/dbraw/zinc/66/86/94/392668694.db2.gz HGBWOMXWKQQKKN-QMMMGPOBSA-N -1 0 314.323 -0.499 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccccc2)CCS1(=O)=O ZINC000424370251 392668723 /nfs/dbraw/zinc/66/87/23/392668723.db2.gz SMQZLWTZLWEAFT-SNVBAGLBSA-N -1 0 319.360 -0.441 20 0 DBADRM CO[C@@H](C)[C@@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424398602 392669047 /nfs/dbraw/zinc/66/90/47/392669047.db2.gz OOGIXOOAKOILMS-VGMNWLOBSA-N -1 0 308.356 -0.697 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@@H]2CCCO2)CCS1(=O)=O ZINC000424395117 392669147 /nfs/dbraw/zinc/66/91/47/392669147.db2.gz ZCGAEMOBBKZUER-IUCAKERBSA-N -1 0 306.340 -0.941 20 0 DBADRM CC[C@@](C)(CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)OC ZINC000424395774 392669174 /nfs/dbraw/zinc/66/91/74/392669174.db2.gz FSVLDGJXJBFROD-SKDRFNHKSA-N -1 0 322.383 -0.305 20 0 DBADRM Cn1ncc2c1nccc2N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424474336 392670358 /nfs/dbraw/zinc/67/03/58/392670358.db2.gz RJCLTMRSAIHYCC-SNVBAGLBSA-N -1 0 310.335 -0.344 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CC=CCC2)CCS1(=O)=O ZINC000424420210 392670413 /nfs/dbraw/zinc/67/04/13/392670413.db2.gz ZGNPVHXVEFPQEV-UWVGGRQHSA-N -1 0 302.352 -0.012 20 0 DBADRM C[C@]1(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCOC1 ZINC000424416608 392670433 /nfs/dbraw/zinc/67/04/33/392670433.db2.gz VCAMHMLHWRVXQS-JOYOIKCWSA-N -1 0 320.367 -0.694 20 0 DBADRM COC[C@@H](C)CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424402992 392670447 /nfs/dbraw/zinc/67/04/47/392670447.db2.gz DWYJSHBWVNBAKL-IUCAKERBSA-N -1 0 308.356 -0.838 20 0 DBADRM Cn1ncc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(Cl)c1=O ZINC000424476396 392670590 /nfs/dbraw/zinc/67/05/90/392670590.db2.gz UOBRZTRNZWUKAU-ZETCQYMHSA-N -1 0 321.742 -0.878 20 0 DBADRM C[C@@]1(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCOC1 ZINC000424416611 392670627 /nfs/dbraw/zinc/67/06/27/392670627.db2.gz VCAMHMLHWRVXQS-SKDRFNHKSA-N -1 0 320.367 -0.694 20 0 DBADRM CO[C@@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(C)C ZINC000424407547 392670762 /nfs/dbraw/zinc/67/07/62/392670762.db2.gz KJEVRVJJOVECCD-VHSXEESVSA-N -1 0 322.383 -0.449 20 0 DBADRM Nc1ccc2c(ncnc2N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424463946 392672861 /nfs/dbraw/zinc/67/28/61/392672861.db2.gz DFECTTCOSKOXCS-MRVPVSSYSA-N -1 0 323.334 -0.875 20 0 DBADRM CC1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1 ZINC000167429592 392680184 /nfs/dbraw/zinc/68/01/84/392680184.db2.gz LJAWFHJQKWGGQT-UHFFFAOYSA-N -1 0 310.335 -0.168 20 0 DBADRM CN(C[C@@H]1CCCO1)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000170678703 392687610 /nfs/dbraw/zinc/68/76/10/392687610.db2.gz CYXJFBGXBHKNSX-VIFPVBQESA-N -1 0 304.306 -0.138 20 0 DBADRM CN(CC1(CO)CC1)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647503958 392621670 /nfs/dbraw/zinc/62/16/70/392621670.db2.gz YPRAWNIGNCAKSZ-UHFFFAOYSA-N -1 0 312.366 -0.069 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)[C@@H]1CO ZINC000647504304 392622782 /nfs/dbraw/zinc/62/27/82/392622782.db2.gz PSEHZKMDASUQDU-WDEREUQCSA-N -1 0 312.366 -0.071 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@@]2(OC)CCOC2)C1 ZINC000319245157 392622995 /nfs/dbraw/zinc/62/29/95/392622995.db2.gz YHXNPJCMBUOWCH-KGLIPLIRSA-N -1 0 316.354 -0.075 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)o1 ZINC000170866578 392689498 /nfs/dbraw/zinc/68/94/98/392689498.db2.gz ZKUDSKJBJVUUBT-SECBINFHSA-N -1 0 301.368 -0.036 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1c1cc2c(nn1)CCC2 ZINC000644168875 392626225 /nfs/dbraw/zinc/62/62/25/392626225.db2.gz MPHKLZKAJHKBQS-VIFPVBQESA-N -1 0 302.294 -0.264 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1c1cc2c(nn1)CCC2 ZINC000644168874 392626436 /nfs/dbraw/zinc/62/64/36/392626436.db2.gz MPHKLZKAJHKBQS-SECBINFHSA-N -1 0 302.294 -0.264 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(c3cncc(OCCO)n3)C2)nn1 ZINC000644168827 392626538 /nfs/dbraw/zinc/62/65/38/392626538.db2.gz BEPWSMRMTQFOFO-VIFPVBQESA-N -1 0 320.309 -0.411 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1=O ZINC000647582597 392647880 /nfs/dbraw/zinc/64/78/80/392647880.db2.gz JWWSMXRZACIUQY-VIFPVBQESA-N -1 0 311.338 -0.953 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)ncn1 ZINC000647584103 392647888 /nfs/dbraw/zinc/64/78/88/392647888.db2.gz RZMJKAQCBHNVHQ-JOYOIKCWSA-N -1 0 320.349 -0.030 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCc2ccoc2)CCOCC1 ZINC000647580367 392647954 /nfs/dbraw/zinc/64/79/54/392647954.db2.gz LGGCBLKREBZHHU-UHFFFAOYSA-N -1 0 310.306 -0.107 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCCOC[C@H]1CCOC1 ZINC000647583548 392648004 /nfs/dbraw/zinc/64/80/04/392648004.db2.gz YMBSJDYVFAUCLT-JTQLQIEISA-N -1 0 302.327 -0.863 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCC(=O)N2)C1 ZINC000647584468 392648139 /nfs/dbraw/zinc/64/81/39/392648139.db2.gz DVIAODGCJOJZOP-UTLUCORTSA-N -1 0 311.338 -0.859 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCC(=O)N1 ZINC000647588926 392649220 /nfs/dbraw/zinc/64/92/20/392649220.db2.gz NZOFGFXKJLLZKV-ATEUNZGCSA-N -1 0 311.338 -0.859 20 0 DBADRM Cn1cc2c(n1)CCC[C@@H]2NC(=O)C(=O)NCCCC(=O)[O-] ZINC000647589133 392649299 /nfs/dbraw/zinc/64/92/99/392649299.db2.gz ZIVZFPWRHSLCBP-JTQLQIEISA-N -1 0 308.338 -0.105 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCc1ccn2ccnc2c1 ZINC000647584970 392649418 /nfs/dbraw/zinc/64/94/18/392649418.db2.gz YHOFUZJTTXCZIN-UHFFFAOYSA-N -1 0 304.306 -0.069 20 0 DBADRM Cc1cnc(CCNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cn1 ZINC000647588941 392649560 /nfs/dbraw/zinc/64/95/60/392649560.db2.gz OMHSUXOZYSEMPG-WDEREUQCSA-N -1 0 320.349 -0.187 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000647586044 392649647 /nfs/dbraw/zinc/64/96/47/392649647.db2.gz LLBSBRSDXRDLGM-LLVKDONJSA-N -1 0 320.349 -0.243 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000647590289 392649653 /nfs/dbraw/zinc/64/96/53/392649653.db2.gz FZXVNZKBJWNQJZ-MNOVXSKESA-N -1 0 314.338 -0.626 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647592534 392650905 /nfs/dbraw/zinc/65/09/05/392650905.db2.gz IVKBTMNGWCVBTL-LPEHRKFASA-N -1 0 311.338 -0.955 20 0 DBADRM CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647591615 392650926 /nfs/dbraw/zinc/65/09/26/392650926.db2.gz FIUBUKZHGKGKRX-NNYUYHANSA-N -1 0 312.366 -0.025 20 0 DBADRM COCCOC[C@@H]1CCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000647590590 392650995 /nfs/dbraw/zinc/65/09/95/392650995.db2.gz WFIOMJACGRHIGE-LLVKDONJSA-N -1 0 316.354 -0.521 20 0 DBADRM C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647592193 392651085 /nfs/dbraw/zinc/65/10/85/392651085.db2.gz WUHDEOXMVZSEJM-NOOOWODRSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@]1(C(N)=O)CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647592591 392651231 /nfs/dbraw/zinc/65/12/31/392651231.db2.gz KDIDBVXKXMSLTL-QIBSRJKCSA-N -1 0 311.338 -0.920 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647591405 392651235 /nfs/dbraw/zinc/65/12/35/392651235.db2.gz XONHOPYNUIHXLX-WDEREUQCSA-N -1 0 308.338 -0.252 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1n1cccn1 ZINC000647602103 392654406 /nfs/dbraw/zinc/65/44/06/392654406.db2.gz BYWGQBKXSFUWNT-QXFUBDJGSA-N -1 0 320.309 -0.372 20 0 DBADRM NC(=O)[C@@H](O)CNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000647626326 392655971 /nfs/dbraw/zinc/65/59/71/392655971.db2.gz NBOUFJWOQSKATM-VIFPVBQESA-N -1 0 324.724 -0.193 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C(=O)[O-] ZINC000647617713 392656316 /nfs/dbraw/zinc/65/63/16/392656316.db2.gz HBBVDABKWKBXOY-KADJCCMJSA-N -1 0 303.340 -0.031 20 0 DBADRM COc1ncc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc1Cl ZINC000647639721 392662356 /nfs/dbraw/zinc/66/23/56/392662356.db2.gz MZYNAWZVSVOXSS-JTQLQIEISA-N -1 0 324.742 -0.143 20 0 DBADRM COCC1(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC000647642429 392663436 /nfs/dbraw/zinc/66/34/36/392663436.db2.gz CGAWOKULSJTMBW-UHFFFAOYSA-N -1 0 307.368 -0.034 20 0 DBADRM CO[C@H]1COC[C@H]1S(=O)(=O)N[C@H]1CCn2ccnc2C1 ZINC000644250673 392703862 /nfs/dbraw/zinc/70/38/62/392703862.db2.gz DGTGFZBYIWPSLS-GARJFASQSA-N -1 0 301.368 -0.469 20 0 DBADRM Cc1oc(C(=O)N=c2nc3ccccn3[n-]2)cc1S(N)(=O)=O ZINC000647745656 392837504 /nfs/dbraw/zinc/83/75/04/392837504.db2.gz BGVLPVCCYRMYRT-UHFFFAOYSA-N -1 0 321.318 -0.048 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)[C@]23CCC(=O)N2CCS3)cn1 ZINC000647747440 392838303 /nfs/dbraw/zinc/83/83/03/392838303.db2.gz HJXKMJQAOMPKHC-GFCCVEGCSA-N -1 0 310.335 -0.028 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCc1nc(N)n[nH]1 ZINC000647751491 392840046 /nfs/dbraw/zinc/84/00/46/392840046.db2.gz VFQUMWCGSPMMLH-UHFFFAOYSA-N -1 0 324.366 -0.439 20 0 DBADRM Cc1cc(F)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c(F)c1 ZINC000644571167 392778875 /nfs/dbraw/zinc/77/88/75/392778875.db2.gz YIGQQYLVVILAAS-MRVPVSSYSA-N -1 0 322.289 -0.120 20 0 DBADRM CO[C@H](C)c1nsc(NC([O-])=C2CCN(C)S2(=O)=O)n1 ZINC000648383860 392795099 /nfs/dbraw/zinc/79/50/99/392795099.db2.gz LYERLQGLQDFZOJ-RNFRBKRXSA-N -1 0 320.396 -0.360 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C[C@H]1C(=O)[O-] ZINC000647752355 392841408 /nfs/dbraw/zinc/84/14/08/392841408.db2.gz FVKWASKDPUAKBH-NXEZZACHSA-N -1 0 323.353 -0.451 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N2CCOC[C@H]2C(=O)[O-])CC1 ZINC000372260647 392812991 /nfs/dbraw/zinc/81/29/91/392812991.db2.gz JCYFIRSUQJCROA-VIFPVBQESA-N -1 0 321.351 -0.555 20 0 DBADRM CN1CC[C@H](C(=O)N2CCC[C@@H](CC(=O)[O-])C2)S1(=O)=O ZINC000647727963 392827513 /nfs/dbraw/zinc/82/75/13/392827513.db2.gz NCNGOJLWLBMHIB-VHSXEESVSA-N -1 0 304.368 -0.266 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000021502157 392831768 /nfs/dbraw/zinc/83/17/68/392831768.db2.gz KXLKLYMDQDNNQD-VIFPVBQESA-N -1 0 314.323 -0.011 20 0 DBADRM CC(C)(NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)[O-] ZINC000262287357 392844298 /nfs/dbraw/zinc/84/42/98/392844298.db2.gz ZUUPKDQEVUJHLM-UHFFFAOYSA-N -1 0 313.335 -0.537 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[C@@H]1CCN(C)S1(=O)=O)C(=O)[O-] ZINC000647743571 392835947 /nfs/dbraw/zinc/83/59/47/392835947.db2.gz NHECXBLUKKWNSG-UWVGGRQHSA-N -1 0 306.384 -0.117 20 0 DBADRM CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000647784171 392885825 /nfs/dbraw/zinc/88/58/25/392885825.db2.gz KZEMPLJNBSHETC-VIFPVBQESA-N -1 0 309.326 -0.052 20 0 DBADRM CC(C)[C@H](C(=O)Nc1ncn(CC(=O)[O-])n1)N1CCCC1=O ZINC000647784119 392886015 /nfs/dbraw/zinc/88/60/15/392886015.db2.gz IYUUXVWTADYZEG-LLVKDONJSA-N -1 0 309.326 -0.052 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCC(C)(C(=O)[O-])CC2)S1(=O)=O ZINC000647763337 392850223 /nfs/dbraw/zinc/85/02/23/392850223.db2.gz ZBVNWDUNYZLVPP-VIFPVBQESA-N -1 0 304.368 -0.266 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])cn1C ZINC000571022068 392855277 /nfs/dbraw/zinc/85/52/77/392855277.db2.gz AXQJRMAVCJEVBN-QMMMGPOBSA-N -1 0 302.308 -0.341 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)C1 ZINC000647769107 392857605 /nfs/dbraw/zinc/85/76/05/392857605.db2.gz LFCFSSAFSJWQIH-MWLCHTKSSA-N -1 0 308.338 -0.080 20 0 DBADRM Cc1cc(=O)[nH]c(C(=O)N=c2[n-]c(CS(C)(=O)=O)no2)c1 ZINC000340537998 131961310 /nfs/dbraw/zinc/96/13/10/131961310.db2.gz OGXQWUGHQVFCLZ-UHFFFAOYSA-N -1 0 312.307 -0.303 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(C)o1 ZINC000274909117 292004964 /nfs/dbraw/zinc/00/49/64/292004964.db2.gz KDNQDLLYUYFMAI-ZCFIWIBFSA-N -1 0 307.280 -0.902 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)Nc2ncn(CC(=O)[O-])n2)C1 ZINC000647780705 392875528 /nfs/dbraw/zinc/87/55/28/392875528.db2.gz KGHOTDBLVNJNFI-VIFPVBQESA-N -1 0 309.326 -0.050 20 0 DBADRM CS(=O)(=O)N1CCCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000647893708 392918250 /nfs/dbraw/zinc/91/82/50/392918250.db2.gz BDDSXJJBHAHYQR-UHFFFAOYSA-N -1 0 308.385 -0.934 20 0 DBADRM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)[N-]OCC(N)=O ZINC000271363335 392931154 /nfs/dbraw/zinc/93/11/54/392931154.db2.gz GSDMDDYGCHSYRO-VGANXODHSA-N -1 0 301.368 -0.223 20 0 DBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000273779248 392937667 /nfs/dbraw/zinc/93/76/67/392937667.db2.gz SHEMUHNAOUIQIH-UHFFFAOYSA-N -1 0 302.283 -0.356 20 0 DBADRM O=C([O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000274151398 392938023 /nfs/dbraw/zinc/93/80/23/392938023.db2.gz IVYKKMNOJKKAEV-LBPRGKRZSA-N -1 0 306.318 -0.343 20 0 DBADRM CS(=O)(=O)Nc1ccc(OCCNC(=O)C(=O)[O-])cc1 ZINC000274203175 392939183 /nfs/dbraw/zinc/93/91/83/392939183.db2.gz UPWAMRULRLJWBB-UHFFFAOYSA-N -1 0 302.308 -0.362 20 0 DBADRM Cn1cc(C[C@H](NS(=O)(=O)[C@H]2CCOC2)C(=O)[O-])cn1 ZINC000275207533 392940710 /nfs/dbraw/zinc/94/07/10/392940710.db2.gz HIZVDUKTQYOYMO-UWVGGRQHSA-N -1 0 303.340 -0.876 20 0 DBADRM Cn1cc(C[C@H](NS(=O)(=O)[C@@H]2CCOC2)C(=O)[O-])cn1 ZINC000275207546 392941057 /nfs/dbraw/zinc/94/10/57/392941057.db2.gz HIZVDUKTQYOYMO-ZJUUUORDSA-N -1 0 303.340 -0.876 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)Cc1noc2ccccc21 ZINC000274949175 392941527 /nfs/dbraw/zinc/94/15/27/392941527.db2.gz SFOAKUPVKNBCIC-MRVPVSSYSA-N -1 0 300.292 -0.307 20 0 DBADRM CS(=O)(=O)c1ccc(NCC(=O)[O-])c(S(C)(=O)=O)c1 ZINC000040445201 132140915 /nfs/dbraw/zinc/14/09/15/132140915.db2.gz NZQRBGMLLFWHFS-UHFFFAOYSA-N -1 0 307.349 -0.010 20 0 DBADRM CC[C@](COC)(NS(=O)(=O)[N-]CC(F)(F)F)C(=O)OC ZINC000416513204 393006434 /nfs/dbraw/zinc/00/64/34/393006434.db2.gz CLVVECIALFYVMD-MRVPVSSYSA-N -1 0 322.305 -0.059 20 0 DBADRM C[C@@H]1CN(CCO)[C@@H](C)CN1S(=O)(=O)[N-]CC(F)(F)F ZINC000416650218 393014900 /nfs/dbraw/zinc/01/49/00/393014900.db2.gz AINUFTCBQBNSMK-DTWKUNHWSA-N -1 0 319.349 -0.230 20 0 DBADRM O=C(CNS(=O)(=O)c1ccccc1F)N[C@@H]1CC[C@H]1O ZINC000425321494 393029923 /nfs/dbraw/zinc/02/99/23/393029923.db2.gz HHLDWIDRMCJAET-NXEZZACHSA-N -1 0 302.327 -0.257 20 0 DBADRM CCCNS(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417448798 393047604 /nfs/dbraw/zinc/04/76/04/393047604.db2.gz WLVULTNPZOINNI-UWVGGRQHSA-N -1 0 321.399 -0.470 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N2C[C@H](CO)[C@H](O)C2)c1 ZINC000424885277 393053405 /nfs/dbraw/zinc/05/34/05/393053405.db2.gz CURITMKZQXESOJ-ZFXASYOHSA-N -1 0 313.375 -0.386 20 0 DBADRM CC1(C)[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H]1O ZINC000190659109 393061666 /nfs/dbraw/zinc/06/16/66/393061666.db2.gz KPLKYUVHZLJNOM-BDAKNGLRSA-N -1 0 304.306 -0.499 20 0 DBADRM CCN(CC)C(=O)CS(=O)(=O)c1n[n-]c(=N)n1C1CC1 ZINC000647997396 393066717 /nfs/dbraw/zinc/06/67/17/393066717.db2.gz ZRMRBDUHRRXZLH-UHFFFAOYSA-N -1 0 301.372 -0.332 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NC1(c2nnn[n-]2)CC1 ZINC000348811216 393171013 /nfs/dbraw/zinc/17/10/13/393171013.db2.gz NHQVXFNATAMVBC-RKDXNWHRSA-N -1 0 316.321 -0.744 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000348272338 393135876 /nfs/dbraw/zinc/13/58/76/393135876.db2.gz BYUGHUIBIQDWME-PHDIDXHHSA-N -1 0 318.259 -0.238 20 0 DBADRM O=C(Cn1nnc(-c2ccccc2)n1)NC1(c2nnn[n-]2)CC1 ZINC000348293747 393137281 /nfs/dbraw/zinc/13/72/81/393137281.db2.gz ORLNJTVDTMLPGT-UHFFFAOYSA-N -1 0 311.309 -0.341 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cn1 ZINC000350033127 393227862 /nfs/dbraw/zinc/22/78/62/393227862.db2.gz FVZYVBRTANFICB-UHFFFAOYSA-N -1 0 311.323 -0.427 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)CC(=O)N(C)C(C)C)[n-]1 ZINC000350145342 393232432 /nfs/dbraw/zinc/23/24/32/393232432.db2.gz HKDOGGGQKQROHY-UHFFFAOYSA-N -1 0 303.340 -0.163 20 0 DBADRM C[C@@H](C(=O)NCC(F)(F)F)S(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000350219079 393234622 /nfs/dbraw/zinc/23/46/22/393234622.db2.gz LEEAASGSXSNGSK-VKHMYHEASA-N -1 0 302.234 -0.649 20 0 DBADRM CCOCCCNC(=O)[C@@H](C)S(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000350185978 393234741 /nfs/dbraw/zinc/23/47/41/393234741.db2.gz ZUHRIHPNKPDVOX-SSDOTTSWSA-N -1 0 306.344 -0.785 20 0 DBADRM COc1cccc(NC(=O)CS(=O)(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000350224440 393235403 /nfs/dbraw/zinc/23/54/03/393235403.db2.gz WBHKPHNXIRMXIO-UHFFFAOYSA-N -1 0 312.307 -0.069 20 0 DBADRM CCC(CO)(CO)NC(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000350638594 393243333 /nfs/dbraw/zinc/24/33/33/393243333.db2.gz MURIWLRPPAPHHI-ZETCQYMHSA-N -1 0 304.372 -0.078 20 0 DBADRM CCc1nc([N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)no1 ZINC000350662633 393243508 /nfs/dbraw/zinc/24/35/08/393243508.db2.gz NHCJBMMPHUAJBO-UHFFFAOYSA-N -1 0 315.311 -0.198 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)N[C@@H]2CCC(=O)NC2=O)s[n-]1 ZINC000350665522 393243820 /nfs/dbraw/zinc/24/38/20/393243820.db2.gz DFINJOSTACBCLZ-PHDIDXHHSA-N -1 0 313.339 -0.406 20 0 DBADRM COCCNC(=O)CNC(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000350666649 393243857 /nfs/dbraw/zinc/24/38/57/393243857.db2.gz LYPRUEHOIPZFCV-SSDOTTSWSA-N -1 0 317.371 -0.449 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)NC[C@@]2(O)CCOC2)s[n-]1 ZINC000350668174 393244031 /nfs/dbraw/zinc/24/40/31/393244031.db2.gz SQGRLZNZKDCQQT-HQJQHLMTSA-N -1 0 302.356 -0.060 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000399096036 393252039 /nfs/dbraw/zinc/25/20/39/393252039.db2.gz SPGFGPBROAEQQX-DTWKUNHWSA-N -1 0 311.338 -0.114 20 0 DBADRM Cc1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])c2c(=O)[nH]n(C)c2n1 ZINC000349052624 393186697 /nfs/dbraw/zinc/18/66/97/393186697.db2.gz MWGZQHZHTYHFLB-CYBMUJFWSA-N -1 0 308.294 -0.452 20 0 DBADRM CCn1nc(C(=O)NC[C@](C)(O)C(=O)[O-])c(=O)c2ccccc21 ZINC000349082376 393189603 /nfs/dbraw/zinc/18/96/03/393189603.db2.gz LRTGOVSDIVABRA-HNNXBMFYSA-N -1 0 319.317 -0.018 20 0 DBADRM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000349084411 393189864 /nfs/dbraw/zinc/18/98/64/393189864.db2.gz PAURUVXHTGNWRB-XHDPSFHLSA-N -1 0 323.349 -0.212 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2nccc(C)n2)cn1 ZINC000351710565 393302088 /nfs/dbraw/zinc/30/20/88/393302088.db2.gz QWIHEUZYHBDDGA-UHFFFAOYSA-N -1 0 311.323 -0.045 20 0 DBADRM CC(C)(CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(N)=O ZINC000351716585 393302590 /nfs/dbraw/zinc/30/25/90/393302590.db2.gz AVJGNWVSXRUWGZ-UHFFFAOYSA-N -1 0 305.294 -0.323 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NCCCN1CCOCC1 ZINC000191999694 393266262 /nfs/dbraw/zinc/26/62/62/393266262.db2.gz MJOOMCOFXRHFHF-UHFFFAOYSA-N -1 0 305.322 -0.305 20 0 DBADRM NC(=O)CC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000352602171 393389610 /nfs/dbraw/zinc/38/96/10/393389610.db2.gz QLFOOPGNFBLRAD-GWCFXTLKSA-N -1 0 319.317 -0.595 20 0 DBADRM COC(=O)[C@H]1CC[C@H]1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000352806068 393403977 /nfs/dbraw/zinc/40/39/77/393403977.db2.gz QYPCCBJIQPHYAY-RITPCOANSA-N -1 0 302.312 -0.654 20 0 DBADRM CCOC(=O)c1cn[n-]c1S(=O)(=O)N=c1nc(C)[nH]n1C ZINC000351997823 393338071 /nfs/dbraw/zinc/33/80/71/393338071.db2.gz STHFPPQURWRPMV-UHFFFAOYSA-N -1 0 314.327 -0.754 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cnc(C)nc2)cn1 ZINC000352009682 393339421 /nfs/dbraw/zinc/33/94/21/393339421.db2.gz WWYNQLOSIBKYRA-UHFFFAOYSA-N -1 0 311.323 -0.045 20 0 DBADRM COCC(=O)N[C@H](C(=O)N(C)C[C@@H](C)c1nnn[n-]1)C(C)C ZINC000352473185 393377479 /nfs/dbraw/zinc/37/74/79/393377479.db2.gz QMQUZJJIXSVGGK-KOLCDFICSA-N -1 0 312.374 -0.451 20 0 DBADRM COCC[C@@H](C)CCS(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000352893853 393414218 /nfs/dbraw/zinc/41/42/18/393414218.db2.gz QFPPVDFUGBBRLM-SECBINFHSA-N -1 0 307.372 -0.113 20 0 DBADRM O=C([O-])[C@@H]1COCCN1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000648426728 393471904 /nfs/dbraw/zinc/47/19/04/393471904.db2.gz QNCXNRUNAHMERN-LBPRGKRZSA-N -1 0 319.317 -0.243 20 0 DBADRM CO[C@@H](CS(=O)(=O)NCC(=O)NCC(F)F)C(C)C ZINC000645690886 393494290 /nfs/dbraw/zinc/49/42/90/393494290.db2.gz ZOJNRRLPBLJBEK-QMMMGPOBSA-N -1 0 302.343 -0.042 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@@H]3CC[C@H]3O)cc-2c(=O)[n-]1 ZINC000425205952 393517592 /nfs/dbraw/zinc/51/75/92/393517592.db2.gz KDBSBYSKNZKHGL-HTQZYQBOSA-N -1 0 312.307 -0.762 20 0 DBADRM CC(C)(O)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000420550552 393592206 /nfs/dbraw/zinc/59/22/06/393592206.db2.gz GQUPONDPPDKAIW-ZUZCIYMTSA-N -1 0 312.366 -0.023 20 0 DBADRM Cc1csc2ncc(C(=O)N3CCOC[C@H]3C(=O)[O-])c(=O)n12 ZINC000262798102 393596430 /nfs/dbraw/zinc/59/64/30/393596430.db2.gz RBUOBCDWXBWJKD-VIFPVBQESA-N -1 0 323.330 -0.010 20 0 DBADRM C[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@@H](C(=O)[O-])C1 ZINC000263130816 393596738 /nfs/dbraw/zinc/59/67/38/393596738.db2.gz VZJSLCNLQHZJDJ-VHSXEESVSA-N -1 0 304.368 -0.266 20 0 DBADRM Cn1cc([N-]S(=O)(=O)CCOCC2CC2)c(C(N)=O)n1 ZINC000424061655 393626767 /nfs/dbraw/zinc/62/67/67/393626767.db2.gz FRMVAAXREZQALA-UHFFFAOYSA-N -1 0 302.356 -0.313 20 0 DBADRM CCCS(=O)(=O)[N-]c1cc(C(N)=O)ccc1S(N)(=O)=O ZINC000424215497 393635126 /nfs/dbraw/zinc/63/51/26/393635126.db2.gz OKMVVLQTTORDRS-UHFFFAOYSA-N -1 0 321.380 -0.415 20 0 DBADRM C[C@@H]1CCCN(C(=O)CCS(=O)(=O)N(C)C)[C@@H]1C(=O)[O-] ZINC000424264394 393636081 /nfs/dbraw/zinc/63/60/81/393636081.db2.gz SAQNNISNWKXINH-KOLCDFICSA-N -1 0 306.384 -0.020 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424240245 393636172 /nfs/dbraw/zinc/63/61/72/393636172.db2.gz XKEOXXVWOOSJHF-UHFFFAOYSA-N -1 0 324.399 -0.441 20 0 DBADRM Cc1nc(C(=O)NCCC(C)(C)C(=O)[O-])nn1-c1nc[nH]n1 ZINC000424233588 393636326 /nfs/dbraw/zinc/63/63/26/393636326.db2.gz PTYZZQOBEISJES-UHFFFAOYSA-N -1 0 307.314 -0.075 20 0 DBADRM CC(C)c1nnc(CN2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])n1C ZINC000424254842 393636380 /nfs/dbraw/zinc/63/63/80/393636380.db2.gz HEJLEOQILFUIHD-QMMMGPOBSA-N -1 0 321.341 -0.295 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424365404 393637293 /nfs/dbraw/zinc/63/72/93/393637293.db2.gz GVKIOTRAUODDIJ-UTLUCORTSA-N -1 0 306.384 -0.022 20 0 DBADRM CC(C)C[C@H](CNC(=O)N1CC[C@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000424403694 393637949 /nfs/dbraw/zinc/63/79/49/393637949.db2.gz BKDNXSTVNJDQKO-ZJUUUORDSA-N -1 0 321.399 -0.194 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCO1 ZINC000424428133 393639545 /nfs/dbraw/zinc/63/95/45/393639545.db2.gz WUSIWVYWMKRRTH-WDEREUQCSA-N -1 0 315.370 -0.110 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCO1 ZINC000424428130 393639642 /nfs/dbraw/zinc/63/96/42/393639642.db2.gz WUSIWVYWMKRRTH-GHMZBOCLSA-N -1 0 315.370 -0.110 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1Cc1c[nH]c2nccnc12 ZINC000424409502 393639683 /nfs/dbraw/zinc/63/96/83/393639683.db2.gz GSAQDNHLONCDLJ-QMMMGPOBSA-N -1 0 315.293 -0.324 20 0 DBADRM CC(C)(CCNC(=O)N1CCC[C@@H]1CS(N)(=O)=O)C(=O)[O-] ZINC000424408845 393640028 /nfs/dbraw/zinc/64/00/28/393640028.db2.gz WGMKOUZBQXRKDF-SECBINFHSA-N -1 0 321.399 -0.050 20 0 DBADRM CC(C)C[C@H](CNC(=O)NCCN1CCNC(=O)C1)C(=O)[O-] ZINC000424455728 393642040 /nfs/dbraw/zinc/64/20/40/393642040.db2.gz VPNVFHDWZRXBBL-LLVKDONJSA-N -1 0 314.386 -0.536 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CCC[C@H](CO)C1)C(=O)[O-] ZINC000424483332 393643503 /nfs/dbraw/zinc/64/35/03/393643503.db2.gz PTEFOXLKHVLIMP-JTQLQIEISA-N -1 0 300.355 -0.166 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@](C)(O)C1)C(=O)[O-] ZINC000424484992 393643645 /nfs/dbraw/zinc/64/36/45/393643645.db2.gz WILHOMRZWJTNDS-QMTHXVAHSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CCO[C@H](CF)C1)C(=O)[O-] ZINC000424486096 393644318 /nfs/dbraw/zinc/64/43/18/393644318.db2.gz HIXKSMJOQWZEDV-SECBINFHSA-N -1 0 304.318 -0.200 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)C(=O)[O-] ZINC000424479348 393644375 /nfs/dbraw/zinc/64/43/75/393644375.db2.gz DUVXLWNWVNSNFB-AXFHLTTASA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CCO1 ZINC000424488864 393644977 /nfs/dbraw/zinc/64/49/77/393644977.db2.gz NLYBEIYOWQLUCC-UWVGGRQHSA-N -1 0 316.354 -0.788 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CC[C@@](F)(CO)C1)C(=O)[O-] ZINC000424487085 393645002 /nfs/dbraw/zinc/64/50/02/393645002.db2.gz JKSKDLCFLLNPCG-ZDUSSCGKSA-N -1 0 304.318 -0.464 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1C[C@@H](O)C[C@H]1C)C(=O)[O-] ZINC000424487542 393645029 /nfs/dbraw/zinc/64/50/29/393645029.db2.gz ICKDWKWQRYVBJF-ZJUUUORDSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCNC(=O)CC1)C(=O)[O-] ZINC000424488654 393645261 /nfs/dbraw/zinc/64/52/61/393645261.db2.gz LNUKJXDIJVCZMP-JTQLQIEISA-N -1 0 313.354 -0.802 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)NCCCC(=O)NC)C(=O)[O-] ZINC000424521422 393646138 /nfs/dbraw/zinc/64/61/38/393646138.db2.gz QUBRMASWFPJUBY-UHFFFAOYSA-N -1 0 315.370 -0.364 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NC(C)(CO)CO)c1 ZINC000424769277 393654446 /nfs/dbraw/zinc/65/44/46/393654446.db2.gz YPDURXPATWQSSF-HXUWFJFHSA-N -1 0 301.364 -0.338 20 0 DBADRM Cc1nc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)c[nH]1 ZINC000165945065 393734733 /nfs/dbraw/zinc/73/47/33/393734733.db2.gz FIWRDLPMCZQQCR-UHFFFAOYSA-N -1 0 303.340 -0.122 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCc2cncnc2C1 ZINC000645965268 393736459 /nfs/dbraw/zinc/73/64/59/393736459.db2.gz SXFSMVQCBRCKLP-UHFFFAOYSA-N -1 0 300.340 -0.514 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000645969056 393736501 /nfs/dbraw/zinc/73/65/01/393736501.db2.gz HJSNGTPBMGWVAC-ZETCQYMHSA-N -1 0 324.380 -0.234 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000645969092 393736905 /nfs/dbraw/zinc/73/69/05/393736905.db2.gz OJPJUYBGLLMSRC-MRVPVSSYSA-N -1 0 316.401 -0.997 20 0 DBADRM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)CCCC(=O)[O-] ZINC000645969123 393737792 /nfs/dbraw/zinc/73/77/92/393737792.db2.gz WZTLSKQNVSHKKP-SECBINFHSA-N -1 0 315.413 -0.064 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000645969872 393737920 /nfs/dbraw/zinc/73/79/20/393737920.db2.gz QQRLSAGZHGAVIH-QMMMGPOBSA-N -1 0 316.401 -0.950 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000645974855 393737954 /nfs/dbraw/zinc/73/79/54/393737954.db2.gz DIXKSVPTXZYZNG-NSHDSACASA-N -1 0 308.356 -0.871 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCS[C@@H]2COCC[C@@H]21 ZINC000645990498 393738660 /nfs/dbraw/zinc/73/86/60/393738660.db2.gz CFWYYQFAECBLDK-VHSXEESVSA-N -1 0 324.424 -0.156 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC[C@@]2(CCOC2)C1 ZINC000645988601 393738663 /nfs/dbraw/zinc/73/86/63/393738663.db2.gz YMPQXSQXOGUTLR-CMPLNLGQSA-N -1 0 304.368 -0.107 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)CCc1cnccn1 ZINC000645987676 393739061 /nfs/dbraw/zinc/73/90/61/393739061.db2.gz WKMVKBBFAOHRMN-UHFFFAOYSA-N -1 0 302.356 -0.398 20 0 DBADRM Cc1oc(CNS(=O)(=O)c2cnnn2C)cc1C(=O)[O-] ZINC000646019842 393740676 /nfs/dbraw/zinc/74/06/76/393740676.db2.gz GQHGIYLWUVFTJL-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM COCCN(C)S(=O)(=O)NC1(C(=O)[O-])CCSCC1 ZINC000646028154 393741716 /nfs/dbraw/zinc/74/17/16/393741716.db2.gz OBNHMZMZMIIPGO-UHFFFAOYSA-N -1 0 312.413 -0.251 20 0 DBADRM Cc1nc(CNS(=O)(=O)c2cnnn2C)sc1C(=O)[O-] ZINC000646037107 393742644 /nfs/dbraw/zinc/74/26/44/393742644.db2.gz CGQAMVGUTMHNQB-UHFFFAOYSA-N -1 0 317.352 -0.243 20 0 DBADRM CCn1nccc1S(=O)(=O)[N-]c1cnn(CC(=O)NC)c1 ZINC000471933543 393745609 /nfs/dbraw/zinc/74/56/09/393745609.db2.gz KSFDCVIVAXIJAN-UHFFFAOYSA-N -1 0 312.355 -0.354 20 0 DBADRM Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])cc12 ZINC000646046094 393746606 /nfs/dbraw/zinc/74/66/06/393746606.db2.gz LZCXHVDRYLVGLC-VIFPVBQESA-N -1 0 316.314 -0.022 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000646155923 393755419 /nfs/dbraw/zinc/75/54/19/393755419.db2.gz USUGPAAVOGHTMF-VHSXEESVSA-N -1 0 319.383 -0.570 20 0 DBADRM CN(C(=O)NCC1(C(=O)[O-])CCOCC1)[C@H]1CCN(C)C1=O ZINC000646167961 393755535 /nfs/dbraw/zinc/75/55/35/393755535.db2.gz JBIBIOUIZGJIPA-JTQLQIEISA-N -1 0 313.354 -0.260 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000646176509 393756050 /nfs/dbraw/zinc/75/60/50/393756050.db2.gz AJIUDVXJYCGMRK-IVZWLZJFSA-N -1 0 319.383 -0.427 20 0 DBADRM COCCN1CCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1=O ZINC000646176630 393756139 /nfs/dbraw/zinc/75/61/39/393756139.db2.gz IURLEKGZFOWXNL-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM CCOCCOC[C@@H](O)CNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000646178299 393756250 /nfs/dbraw/zinc/75/62/50/393756250.db2.gz KKORUCOHVUXLGZ-TUAOUCFPSA-N -1 0 318.370 -0.047 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000646178363 393756283 /nfs/dbraw/zinc/75/62/83/393756283.db2.gz OFCHYISNAFJOJV-YIZRAAEISA-N -1 0 305.356 -0.688 20 0 DBADRM C[C@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000429902095 393699795 /nfs/dbraw/zinc/69/97/95/393699795.db2.gz KXNQRMAOUSUPQQ-JGVFFNPUSA-N -1 0 302.356 -0.021 20 0 DBADRM C[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000429902094 393700190 /nfs/dbraw/zinc/70/01/90/393700190.db2.gz KXNQRMAOUSUPQQ-HTQZYQBOSA-N -1 0 302.356 -0.021 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](C)c1nc(C)no1 ZINC000486999482 393763537 /nfs/dbraw/zinc/76/35/37/393763537.db2.gz PZXOYIASMGAPPP-SSDOTTSWSA-N -1 0 306.344 -0.232 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000491244385 393808885 /nfs/dbraw/zinc/80/88/85/393808885.db2.gz CAUJOAVRFDZDQU-UHFFFAOYSA-N -1 0 313.335 -0.234 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)OC)C1 ZINC000491476164 393814994 /nfs/dbraw/zinc/81/49/94/393814994.db2.gz GGAOEPKYAQEVOX-VIFPVBQESA-N -1 0 308.356 -0.443 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)CCCN(C)C(=O)OC ZINC000491478205 393815833 /nfs/dbraw/zinc/81/58/33/393815833.db2.gz YYMNBKXXHKTBDR-UHFFFAOYSA-N -1 0 310.372 -0.053 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000275186739 292033004 /nfs/dbraw/zinc/03/30/04/292033004.db2.gz XGSGDWVGSLIOHD-QMMMGPOBSA-N -1 0 319.291 -0.460 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC000214831899 285714283 /nfs/dbraw/zinc/71/42/83/285714283.db2.gz NBEDSCVNZFEUSQ-MRVPVSSYSA-N -1 0 311.381 -0.229 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)NCCCCCC(=O)[O-] ZINC000420595310 299685723 /nfs/dbraw/zinc/68/57/23/299685723.db2.gz RTHXFABUJWVUMF-JTQLQIEISA-N -1 0 313.354 -0.563 20 0 DBADRM CCOC[C@H](NS(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-] ZINC000290731932 286169233 /nfs/dbraw/zinc/16/92/33/286169233.db2.gz WDWCCRJTDCUIQE-JTQLQIEISA-N -1 0 316.335 -0.447 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@]12CCCO2 ZINC000274253510 286381872 /nfs/dbraw/zinc/38/18/72/286381872.db2.gz UADDDWIRAMTUNN-FIXISWKDSA-N -1 0 323.349 -0.058 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000263330374 292370263 /nfs/dbraw/zinc/37/02/63/292370263.db2.gz UUUOTMLWXQQMEH-SECBINFHSA-N -1 0 308.356 -0.982 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(N)noc1C ZINC000497059483 409807981 /nfs/dbraw/zinc/80/79/81/409807981.db2.gz WBVCBNZUDJSFJP-BYPYZUCNSA-N -1 0 306.300 -0.885 20 0 DBADRM CC[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@]2(CCOC2)O1 ZINC000366522954 287177862 /nfs/dbraw/zinc/17/78/62/287177862.db2.gz SQMPNHLBDVGSKB-BMIGLBTASA-N -1 0 323.349 -0.104 20 0 DBADRM CC[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H](C)[S@]1=O ZINC000287871113 287177878 /nfs/dbraw/zinc/17/78/78/287177878.db2.gz MPLJRHSWXUZXKF-JYFUKTADSA-N -1 0 313.379 -0.143 20 0 DBADRM C[C@@H]1C(=O)NCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000104693576 287185707 /nfs/dbraw/zinc/18/57/07/287185707.db2.gz CMPHWHLMQDRUDP-SECBINFHSA-N -1 0 308.363 -0.171 20 0 DBADRM CO[C@](C)(CO)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000655208505 411628765 /nfs/dbraw/zinc/62/87/65/411628765.db2.gz CITFNBIYERSPLL-ZDUSSCGKSA-N -1 0 308.294 -0.437 20 0 DBADRM CC(C)Oc1ccc(=NC(=O)N2CC(S(C)(=O)=O)C2)[n-]n1 ZINC000650140957 411633955 /nfs/dbraw/zinc/63/39/55/411633955.db2.gz DHLVSVFJKGVABM-UHFFFAOYSA-N -1 0 314.367 -0.054 20 0 DBADRM COc1ccccc1CN1C(=O)C[C@@H](NCc2nnn[n-]2)C1=O ZINC000653285565 411704595 /nfs/dbraw/zinc/70/45/95/411704595.db2.gz RWBSXYROWZGUOI-SNVBAGLBSA-N -1 0 316.321 -0.374 20 0 DBADRM O=C1C[C@@H](NCc2nnn[n-]2)C(=O)N1CCc1ccccc1F ZINC000653285649 411704628 /nfs/dbraw/zinc/70/46/28/411704628.db2.gz USHOKOVUCKUDHA-LLVKDONJSA-N -1 0 318.312 -0.201 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)CN(C)Cc1n[n-]c(=O)o1 ZINC000660851480 411649150 /nfs/dbraw/zinc/64/91/50/411649150.db2.gz CLFSMAXJAXCYDU-UHFFFAOYSA-N -1 0 313.358 -0.420 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N(C)CC(=O)N1CCCC1)C(=O)[O-] ZINC000662910979 411656695 /nfs/dbraw/zinc/65/66/95/411656695.db2.gz BOZNMVYABYCLDQ-SNVBAGLBSA-N -1 0 313.354 -0.754 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000650416582 411663796 /nfs/dbraw/zinc/66/37/96/411663796.db2.gz PMDNYYYQYIWJBP-NRUUGDAUSA-N -1 0 318.395 -0.020 20 0 DBADRM COCCOCCS(=O)(=O)N1CC2(CCC2)[C@@H]1C(=O)[O-] ZINC000663286087 411671447 /nfs/dbraw/zinc/67/14/47/411671447.db2.gz AIXUPFDLFZNYRN-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM CC[C@@H]1COC(C)(C)CN1C(=O)C(=O)N=c1nc(C)n(C)[n-]1 ZINC000651985027 411673403 /nfs/dbraw/zinc/67/34/03/411673403.db2.gz AHRUYIQQPIHRRK-SNVBAGLBSA-N -1 0 309.370 -0.100 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])CC1 ZINC000037828082 411680325 /nfs/dbraw/zinc/68/03/25/411680325.db2.gz SJSNHHCOYYZTGK-MNOVXSKESA-N -1 0 316.379 -0.243 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659055625 411687075 /nfs/dbraw/zinc/68/70/75/411687075.db2.gz LBFKMWXJGBCCLE-DTWKUNHWSA-N -1 0 323.305 -0.674 20 0 DBADRM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659054507 411687350 /nfs/dbraw/zinc/68/73/50/411687350.db2.gz WVLJBOLIZSNTSP-SECBINFHSA-N -1 0 320.305 -0.545 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@H](C(C)C)N2CCCC2=O)[n-]n1 ZINC000650816914 411690051 /nfs/dbraw/zinc/69/00/51/411690051.db2.gz LXLSXEDXGMTQTE-ZDUSSCGKSA-N -1 0 319.365 -0.156 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)[n-]n1 ZINC000650815514 411690586 /nfs/dbraw/zinc/69/05/86/411690586.db2.gz UGDNRNBACJGXIF-JTQLQIEISA-N -1 0 319.365 -0.299 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)CCn2c(C)csc2=O)[n-]n1 ZINC000650815047 411690718 /nfs/dbraw/zinc/69/07/18/411690718.db2.gz GQIQVRLNTZXQAD-UHFFFAOYSA-N -1 0 321.362 -0.181 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)C(C)(C)c2cnn(C)c2)[n-]n1 ZINC000650817777 411690766 /nfs/dbraw/zinc/69/07/66/411690766.db2.gz NNWMCOVLGYFBOV-UHFFFAOYSA-N -1 0 302.338 -0.092 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)Cc2c(C)nn(C)c2C)[n-]n1 ZINC000650814910 411691350 /nfs/dbraw/zinc/69/13/50/411691350.db2.gz BNWYYVPKCIUIHZ-UHFFFAOYSA-N -1 0 302.338 -0.210 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC000653278655 411701759 /nfs/dbraw/zinc/70/17/59/411701759.db2.gz DIQOMJKEROBOSS-JTQLQIEISA-N -1 0 308.338 -0.296 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000653318514 411738632 /nfs/dbraw/zinc/73/86/32/411738632.db2.gz NMABFQFVIYORPA-UWVGGRQHSA-N -1 0 322.383 -0.594 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000398860126 411741705 /nfs/dbraw/zinc/74/17/05/411741705.db2.gz QHAKAZIRPUAKGG-GMTAPVOTSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H](NC(=O)CC1(n2cnnn2)CCOCC1)[C@@H](C)C(=O)[O-] ZINC000659151869 411742975 /nfs/dbraw/zinc/74/29/75/411742975.db2.gz DFRISZISLQHCTI-NXEZZACHSA-N -1 0 311.342 -0.206 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652051809 411753321 /nfs/dbraw/zinc/75/33/21/411753321.db2.gz QXEMRGVRGJEFRI-ZDCRXTMVSA-N -1 0 316.379 -0.078 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652069592 411753705 /nfs/dbraw/zinc/75/37/05/411753705.db2.gz RNMLBRLAPJMREB-KYXWUPHJSA-N -1 0 302.352 -0.610 20 0 DBADRM O=C([O-])c1cccc2c1CN(C(=O)[C@@H]1CCS(=O)(=O)N1)CC2 ZINC000652075037 411753900 /nfs/dbraw/zinc/75/39/00/411753900.db2.gz XVZQYYZXGCOTPH-LBPRGKRZSA-N -1 0 324.358 -0.039 20 0 DBADRM O=C([O-])C1(NC(=O)[C@@H]2CCS(=O)(=O)N2)Cc2ccccc2C1 ZINC000652055228 411754071 /nfs/dbraw/zinc/75/40/71/411754071.db2.gz XLAOZPYJPPZISD-NSHDSACASA-N -1 0 324.358 -0.584 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@H]2CCS(=O)(=O)N2)CCCCC1 ZINC000652057646 411754288 /nfs/dbraw/zinc/75/42/88/411754288.db2.gz NUNKGJSNWCHFJV-SECBINFHSA-N -1 0 304.368 -0.028 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)NCCC(=O)[O-])c1 ZINC000652097634 411757071 /nfs/dbraw/zinc/75/70/71/411757071.db2.gz MZEXUVHQPPGREQ-UHFFFAOYSA-N -1 0 319.314 -0.253 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)[n-]1 ZINC000651684994 411768990 /nfs/dbraw/zinc/76/89/90/411768990.db2.gz FBAXPDFYNFVHFI-ZJUUUORDSA-N -1 0 322.369 -0.668 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CC(=O)N(C3CC3)C2)[n-]1 ZINC000651762251 411773592 /nfs/dbraw/zinc/77/35/92/411773592.db2.gz JSFHPGMLTJHFDI-UHFFFAOYSA-N -1 0 306.326 -0.990 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC000653304595 411725052 /nfs/dbraw/zinc/72/50/52/411725052.db2.gz QRWDPHCLBRPZRW-GWCFXTLKSA-N -1 0 316.379 -0.052 20 0 DBADRM C[C@@H]1CN(C[C@H](O)CN2CCOC[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC000652358612 411796205 /nfs/dbraw/zinc/79/62/05/411796205.db2.gz XCNKKJCGMQJIFU-RNJOBUHISA-N -1 0 302.371 -0.758 20 0 DBADRM C[C@@](O)(CN1CCc2ccc(S(N)(=O)=O)cc21)C(=O)[O-] ZINC000652414352 411800120 /nfs/dbraw/zinc/80/01/20/411800120.db2.gz VLHZTHWWHFPIBW-GFCCVEGCSA-N -1 0 300.336 -0.468 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)c1c(C)onc1N)C(=O)[O-] ZINC000584414133 411803843 /nfs/dbraw/zinc/80/38/43/411803843.db2.gz JCCKYMGOXWBAMD-ZETCQYMHSA-N -1 0 305.312 -0.334 20 0 DBADRM Cc1nc(=NC(=O)C(=O)N[C@@H]2CNc3ccccc3C2)[n-]n1C ZINC000652637326 411808593 /nfs/dbraw/zinc/80/85/93/411808593.db2.gz QXPHLSBAKWPFAI-NSHDSACASA-N -1 0 314.349 -0.363 20 0 DBADRM CCN(C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@@H]1CCCOC1 ZINC000652661836 411810067 /nfs/dbraw/zinc/81/00/67/411810067.db2.gz AIWCJBLYWSJZJH-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCOC[C@H]1c1ccnn1C ZINC000652662503 411810118 /nfs/dbraw/zinc/81/01/18/411810118.db2.gz UKZRHIFTSBCQIL-NSHDSACASA-N -1 0 324.337 -0.747 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1C(=O)[O-] ZINC000652655903 411810163 /nfs/dbraw/zinc/81/01/63/411810163.db2.gz PDQBAPADNYVXEK-KQSJRHEJSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@H](COCC1CC1)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000652655655 411810348 /nfs/dbraw/zinc/81/03/48/411810348.db2.gz JLVRJVNSTLODRZ-MWLCHTKSSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1C(=O)[O-] ZINC000652655904 411810663 /nfs/dbraw/zinc/81/06/63/411810663.db2.gz PDQBAPADNYVXEK-MJDLHHQISA-N -1 0 310.350 -0.008 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC000655538412 411816880 /nfs/dbraw/zinc/81/68/80/411816880.db2.gz FVPVOIAMFKZVFA-VIFPVBQESA-N -1 0 302.294 -0.006 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCc2nccn2C1)[C@@H](C)C(=O)[O-] ZINC000655540197 411816885 /nfs/dbraw/zinc/81/68/85/411816885.db2.gz XEWHUIYSIHIXGH-CMPLNLGQSA-N -1 0 322.365 -0.117 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCCCCC(=O)[O-] ZINC000659407280 411823091 /nfs/dbraw/zinc/82/30/91/411823091.db2.gz ZRTDRUASJKXGHR-UWVGGRQHSA-N -1 0 322.383 -0.257 20 0 DBADRM CC(C)n1cnc(=NC(=O)c2ccc(S(N)(=O)=O)cn2)[n-]1 ZINC000652727507 411823997 /nfs/dbraw/zinc/82/39/97/411823997.db2.gz VCGQAHBICVSNML-UHFFFAOYSA-N -1 0 310.339 -0.424 20 0 DBADRM COc1cccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1F ZINC000655555189 411833025 /nfs/dbraw/zinc/83/30/25/411833025.db2.gz UTDBSVQDKVTRAO-UHFFFAOYSA-N -1 0 320.298 -0.687 20 0 DBADRM C[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)cn1C)C(=O)[O-] ZINC000655558500 411833101 /nfs/dbraw/zinc/83/31/01/411833101.db2.gz GXBKLRJSXQOUCR-MRVPVSSYSA-N -1 0 317.367 -0.274 20 0 DBADRM C[C@@H](CNC(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000655559909 411833759 /nfs/dbraw/zinc/83/37/59/411833759.db2.gz RZKLQVSBBBQIRZ-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(F)c1)C(=O)[O-] ZINC000655559788 411833948 /nfs/dbraw/zinc/83/39/48/411833948.db2.gz RANFJPBKFWLFJO-QMMMGPOBSA-N -1 0 318.326 -0.059 20 0 DBADRM C[C@@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000655562325 411835007 /nfs/dbraw/zinc/83/50/07/411835007.db2.gz XAOOECNGXDWTOA-ZETCQYMHSA-N -1 0 322.321 -0.974 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)C(=O)[O-])cn1 ZINC000655560249 411835150 /nfs/dbraw/zinc/83/51/50/411835150.db2.gz RXSIFLIAHVUFQB-SSDOTTSWSA-N -1 0 301.324 -0.560 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N(CC(=O)[O-])C1CCC1 ZINC000655590970 411836808 /nfs/dbraw/zinc/83/68/08/411836808.db2.gz CVAGYELRJQBSES-UHFFFAOYSA-N -1 0 313.354 -0.515 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)[C@@H](O)C1CCOCC1 ZINC000655598363 411837081 /nfs/dbraw/zinc/83/70/81/411837081.db2.gz IKADYCHIZQDGEE-OLZOCXBDSA-N -1 0 308.334 -0.019 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N(CC(=O)[O-])C2CCC2)nn1 ZINC000655591368 411837133 /nfs/dbraw/zinc/83/71/33/411837133.db2.gz LTQOTQFIGXOZDD-UHFFFAOYSA-N -1 0 309.326 -0.554 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])C1=O ZINC000655601042 411837673 /nfs/dbraw/zinc/83/76/73/411837673.db2.gz DRVGUCWRKRYFDH-JTQLQIEISA-N -1 0 320.305 -0.913 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CN1CSCC1=O ZINC000655601039 411837860 /nfs/dbraw/zinc/83/78/60/411837860.db2.gz DQLROWUEVASJCQ-SNVBAGLBSA-N -1 0 309.347 -0.274 20 0 DBADRM Cc1cc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)ncn1 ZINC000659650949 411858128 /nfs/dbraw/zinc/85/81/28/411858128.db2.gz HRQFPQPNRFTQFT-UHFFFAOYSA-N -1 0 306.322 -0.228 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)on1 ZINC000659649212 411858234 /nfs/dbraw/zinc/85/82/34/411858234.db2.gz GYDRBZJIVFZCCJ-YMTOWFKASA-N -1 0 323.305 -0.841 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@H]1COCCO1)C(=O)[O-] ZINC000659660418 411859033 /nfs/dbraw/zinc/85/90/33/411859033.db2.gz AAUXIGKBJDGIHL-QWRGUYRKSA-N -1 0 316.354 -0.667 20 0 DBADRM CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659668590 411859954 /nfs/dbraw/zinc/85/99/54/411859954.db2.gz ZNMQCYUGUTXDQA-MNOVXSKESA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCc3c[nH]nc3C2)CCC1 ZINC000659669660 411859992 /nfs/dbraw/zinc/85/99/92/411859992.db2.gz BUNVNWXJTJIZPE-UHFFFAOYSA-N -1 0 306.322 -0.335 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N(CC)[C@@H](C)C(=O)[O-] ZINC000659769927 411887591 /nfs/dbraw/zinc/88/75/91/411887591.db2.gz LWISXPHFWAMRBZ-VIFPVBQESA-N -1 0 310.372 -0.736 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000659774003 411887979 /nfs/dbraw/zinc/88/79/79/411887979.db2.gz VTHYSGBDCMSFDV-WDEREUQCSA-N -1 0 313.331 -0.073 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)c2cnc(C(=O)[O-])cn2)CS1(=O)=O ZINC000659783377 411890096 /nfs/dbraw/zinc/89/00/96/411890096.db2.gz QDWGPTXHPVUMAL-YUMQZZPRSA-N -1 0 313.335 -0.130 20 0 DBADRM CN(CC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)S(C)(=O)=O ZINC000659205184 411898957 /nfs/dbraw/zinc/89/89/57/411898957.db2.gz YRRPEXFTVFTSAM-UHFFFAOYSA-N -1 0 318.355 -0.467 20 0 DBADRM CN(C(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000386804608 411926294 /nfs/dbraw/zinc/92/62/94/411926294.db2.gz OPECRHAVDVRILB-GUBZILKMSA-N -1 0 318.395 -0.165 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)C1(n2cnnn2)CCCCC1 ZINC000653020866 411871770 /nfs/dbraw/zinc/87/17/70/411871770.db2.gz OJLCEGPNKORYOC-UHFFFAOYSA-N -1 0 320.357 -0.095 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)NCCCCCC(=O)[O-])C1 ZINC000400276120 411883069 /nfs/dbraw/zinc/88/30/69/411883069.db2.gz GPNMLFZPILXALM-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM CC(C)(CCNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400231932 411883969 /nfs/dbraw/zinc/88/39/69/411883969.db2.gz CVFNHAQCTGHHDZ-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-]CC(F)(F)CO)[C@H]1CCOC1 ZINC000656963834 412019215 /nfs/dbraw/zinc/01/92/15/412019215.db2.gz SLPPUXNIUSPPKZ-IUCAKERBSA-N -1 0 303.327 -0.415 20 0 DBADRM CC[C@@H](NC(=O)NC[C@@H](C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000655871012 411975281 /nfs/dbraw/zinc/97/52/81/411975281.db2.gz ARESFDXITNHKEO-NXEZZACHSA-N -1 0 301.343 -0.356 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](C)C(=O)[O-])CC2 ZINC000655874248 411975957 /nfs/dbraw/zinc/97/59/57/411975957.db2.gz WJECKDHAROFQDK-DTWKUNHWSA-N -1 0 311.342 -0.241 20 0 DBADRM COCC(=O)N1CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC000655890347 411975997 /nfs/dbraw/zinc/97/59/97/411975997.db2.gz GHLMONKROXGXAT-NSHDSACASA-N -1 0 315.370 -0.157 20 0 DBADRM C[C@H](CNC(=O)N1CCC(CNS(C)(=O)=O)CC1)C(=O)[O-] ZINC000655881718 411976253 /nfs/dbraw/zinc/97/62/53/411976253.db2.gz QBORNOPBDLXXAY-SECBINFHSA-N -1 0 321.399 -0.322 20 0 DBADRM C[C@H](CNC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C(=O)[O-] ZINC000655884856 411976339 /nfs/dbraw/zinc/97/63/39/411976339.db2.gz KRQUJSBUPUZHNN-SECBINFHSA-N -1 0 309.326 -0.501 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)C(=O)[O-] ZINC000655895901 411976357 /nfs/dbraw/zinc/97/63/57/411976357.db2.gz HTDUTGZVEHZQCI-VWYCJHECSA-N -1 0 313.354 -0.358 20 0 DBADRM C[C@@H](CNC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1)C(=O)[O-] ZINC000655881031 411976413 /nfs/dbraw/zinc/97/64/13/411976413.db2.gz FQJYLLZJHVKGAZ-VHSXEESVSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@@H](CNC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000655888903 411976640 /nfs/dbraw/zinc/97/66/40/411976640.db2.gz PDKQVKJZWMBOBS-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)[C@H](CNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC000655872733 411976689 /nfs/dbraw/zinc/97/66/89/411976689.db2.gz PJWPZVOEPGEIJJ-GUBZILKMSA-N -1 0 301.343 -0.325 20 0 DBADRM COc1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c(OC)n1 ZINC000655942500 411980153 /nfs/dbraw/zinc/98/01/53/411980153.db2.gz RAAHMSIQPXAGRK-SSDOTTSWSA-N -1 0 311.294 -0.126 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CCCc2c1cnn2C)C(=O)[O-] ZINC000655982560 411981254 /nfs/dbraw/zinc/98/12/54/411981254.db2.gz WUGCAKTVYHYFLI-PSASIEDQSA-N -1 0 308.338 -0.249 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1cn2ccsc2n1)C(=O)[O-] ZINC000655977259 411981880 /nfs/dbraw/zinc/98/18/80/411981880.db2.gz GGWVEVQMSQHMMG-SSDOTTSWSA-N -1 0 310.335 -0.151 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCCc1cnn(C)c1)C(=O)[O-] ZINC000655984287 411982106 /nfs/dbraw/zinc/98/21/06/411982106.db2.gz MSMKUHUTWHRUTJ-LBPRGKRZSA-N -1 0 324.381 -0.058 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCCOCC(F)(F)F)C(=O)[O-] ZINC000655981265 411982222 /nfs/dbraw/zinc/98/22/22/411982222.db2.gz YFFHFVDTLQVPLM-SSDOTTSWSA-N -1 0 314.260 -0.092 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCC(=O)N1CCCCC1)C(=O)[O-] ZINC000655979490 411982298 /nfs/dbraw/zinc/98/22/98/411982298.db2.gz FZLXIRFOYDNKHL-JTQLQIEISA-N -1 0 313.354 -0.658 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)n1 ZINC000655982626 411982510 /nfs/dbraw/zinc/98/25/10/411982510.db2.gz YAQVZPUHAIPEOE-LLVKDONJSA-N -1 0 308.338 -0.126 20 0 DBADRM C[C@H](NC(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655988293 411982843 /nfs/dbraw/zinc/98/28/43/411982843.db2.gz SFFPJFIAYSWOJO-NEJQNHLGSA-N -1 0 324.377 -0.001 20 0 DBADRM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655989991 411982938 /nfs/dbraw/zinc/98/29/38/411982938.db2.gz GEZZCEPCJGNTOK-IUCAKERBSA-N -1 0 324.381 -0.079 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000655996637 411983111 /nfs/dbraw/zinc/98/31/11/411983111.db2.gz DTJAQCUOJLFJSD-MRVPVSSYSA-N -1 0 322.383 -0.847 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@H](Nc2ncccn2)C1)C(=O)[O-] ZINC000656000163 411983448 /nfs/dbraw/zinc/98/34/48/411983448.db2.gz RONQHGREWCDVDH-ZJUUUORDSA-N -1 0 321.337 -0.674 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCOCC(F)F)C(=O)[O-] ZINC000655996785 411983541 /nfs/dbraw/zinc/98/35/41/411983541.db2.gz XDWDIVYGVQJZRJ-MRVPVSSYSA-N -1 0 310.297 -0.143 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1csc(N(C)C)n1)C(=O)[O-] ZINC000655988718 411983562 /nfs/dbraw/zinc/98/35/62/411983562.db2.gz SZVFLZQUXADOQZ-SSDOTTSWSA-N -1 0 314.367 -0.338 20 0 DBADRM Cc1nccn1CCCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655987421 411983584 /nfs/dbraw/zinc/98/35/84/411983584.db2.gz LFSXIWKCUWXFDV-SNVBAGLBSA-N -1 0 310.354 -0.075 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1)C(=O)[O-] ZINC000655988678 411983598 /nfs/dbraw/zinc/98/35/98/411983598.db2.gz SSLKENOMXPMJIC-VHSXEESVSA-N -1 0 313.354 -0.804 20 0 DBADRM CO[C@H](CCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C(F)(F)F ZINC000655992761 411983666 /nfs/dbraw/zinc/98/36/66/411983666.db2.gz GKFRQMKKYRBXIM-RNFRBKRXSA-N -1 0 314.260 -0.093 20 0 DBADRM Cc1cnc(CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)cn1 ZINC000655995250 411983753 /nfs/dbraw/zinc/98/37/53/411983753.db2.gz ATVMBQGZNIDBBS-GFCCVEGCSA-N -1 0 322.365 -0.083 20 0 DBADRM COC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])[C@H]1CCCO1 ZINC000655994091 411983839 /nfs/dbraw/zinc/98/38/39/411983839.db2.gz RODKNOQAFWWFFU-LPEHRKFASA-N -1 0 302.327 -0.867 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])[C@@H]1OC ZINC000655994630 411983873 /nfs/dbraw/zinc/98/38/73/411983873.db2.gz UIKNIBZFKLMGLI-QEYWKRMJSA-N -1 0 302.327 -0.868 20 0 DBADRM CCC(=O)N[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000656004452 411984565 /nfs/dbraw/zinc/98/45/65/411984565.db2.gz PFCHMEBQQXXBSP-UWVGGRQHSA-N -1 0 313.354 -0.660 20 0 DBADRM COCCCOC1CN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000656001347 411984806 /nfs/dbraw/zinc/98/48/06/411984806.db2.gz FPSLLBBQYGGLEN-SECBINFHSA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C)C(=O)[O-] ZINC000656005427 411985113 /nfs/dbraw/zinc/98/51/13/411985113.db2.gz ZUVXMKJCNLBWNZ-IUCAKERBSA-N -1 0 315.370 -0.415 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)C(=O)[O-] ZINC000656003787 411985600 /nfs/dbraw/zinc/98/56/00/411985600.db2.gz XKNZDCKZIKULJU-VWYCJHECSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1)C(=O)[O-] ZINC000656000438 411985713 /nfs/dbraw/zinc/98/57/13/411985713.db2.gz TTZCUZUPKZIODJ-LDWIPMOCSA-N -1 0 312.244 -0.651 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C[C@@H](C)O1 ZINC000655999723 411985727 /nfs/dbraw/zinc/98/57/27/411985727.db2.gz IZWHGBIGFYYGLW-BBBLOLIVSA-N -1 0 302.327 -0.914 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC(c2ncc[nH]2)CC1)C(=O)[O-] ZINC000656004176 411985923 /nfs/dbraw/zinc/98/59/23/411985923.db2.gz FVXLTTYTOQXMAY-VIFPVBQESA-N -1 0 308.338 -0.047 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1)C(=O)[O-] ZINC000656006975 411986840 /nfs/dbraw/zinc/98/68/40/411986840.db2.gz ZNPKEEYSWVGLMO-WDEREUQCSA-N -1 0 322.365 -0.352 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC([C@H]2CCOC2)C1)C(=O)[O-] ZINC000656009495 411986946 /nfs/dbraw/zinc/98/69/46/411986946.db2.gz XERLVGMUHYQCBA-JQWIXIFHSA-N -1 0 312.366 -0.046 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C2 ZINC000656013615 411986962 /nfs/dbraw/zinc/98/69/62/411986962.db2.gz PBMBAIUSCLLTRG-SNVBAGLBSA-N -1 0 323.353 -0.598 20 0 DBADRM CC(C)OC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CCO1 ZINC000656004705 411986987 /nfs/dbraw/zinc/98/69/87/411986987.db2.gz HIZDOCGYRLNEAX-QWRGUYRKSA-N -1 0 316.354 -0.524 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@](C)(O)C1)C(=O)[O-] ZINC000656010867 411987048 /nfs/dbraw/zinc/98/70/48/411987048.db2.gz GSBDHUGTLZESDT-QMTHXVAHSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)OC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CCO1 ZINC000656004701 411987214 /nfs/dbraw/zinc/98/72/14/411987214.db2.gz HIZDOCGYRLNEAX-GHMZBOCLSA-N -1 0 316.354 -0.524 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)O)C1)C(=O)[O-] ZINC000656007509 411987362 /nfs/dbraw/zinc/98/73/62/411987362.db2.gz GWPOLRJOVYOIHP-OUAUKWLOSA-N -1 0 316.354 -0.932 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC(CO)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656017349 411988998 /nfs/dbraw/zinc/98/89/98/411988998.db2.gz OLNVIFXLKXPGSJ-DVVUODLYSA-N -1 0 312.366 -0.311 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000656102339 411995769 /nfs/dbraw/zinc/99/57/69/411995769.db2.gz IQWOSMHVTUBZKZ-PSASIEDQSA-N -1 0 324.337 -0.094 20 0 DBADRM CO[C@H](C[C@H](NS(=O)(=O)[C@H]1CCOC1)C(=O)[O-])C1CC1 ZINC000656167701 411997577 /nfs/dbraw/zinc/99/75/77/411997577.db2.gz AJQJZLJTMYICMG-GARJFASQSA-N -1 0 307.368 -0.037 20 0 DBADRM Cc1noc(CN(C)S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000656182224 411998996 /nfs/dbraw/zinc/99/89/96/411998996.db2.gz VZFUHRPHGZWFQW-VIFPVBQESA-N -1 0 318.355 -0.149 20 0 DBADRM Cc1noc(CN(C)S(=O)(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC000656181665 411999246 /nfs/dbraw/zinc/99/92/46/411999246.db2.gz DWXLEDIMQGOIMK-QMMMGPOBSA-N -1 0 304.328 -0.396 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1nnn(C(C)(C)C)n1 ZINC000656180037 411999323 /nfs/dbraw/zinc/99/93/23/411999323.db2.gz FCZGBXGHCIASBI-UHFFFAOYSA-N -1 0 320.375 -0.831 20 0 DBADRM CO[C@H](C[C@@H](NS(=O)(=O)c1cn(C)cn1)C(=O)[O-])C1CC1 ZINC000656169743 411999608 /nfs/dbraw/zinc/99/96/08/411999608.db2.gz QNJCDBLEVSCYCJ-NXEZZACHSA-N -1 0 317.367 -0.033 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)C(=O)[O-] ZINC000656231302 411999620 /nfs/dbraw/zinc/99/96/20/411999620.db2.gz GGLDOHWLXYIWKB-MRVPVSSYSA-N -1 0 305.290 -0.061 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)CCc1ccc(F)cc1 ZINC000656509659 412007359 /nfs/dbraw/zinc/00/73/59/412007359.db2.gz WQXGJJDTHGGDRM-UHFFFAOYSA-N -1 0 318.326 -0.512 20 0 DBADRM COc1cc(F)c(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c(F)c1 ZINC000656526390 412007418 /nfs/dbraw/zinc/00/74/18/412007418.db2.gz REAWZNKVGMTMHJ-MRVPVSSYSA-N -1 0 311.262 -0.303 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-] ZINC000656513169 412007863 /nfs/dbraw/zinc/00/78/63/412007863.db2.gz RNIIWRRUOHRELC-QWRGUYRKSA-N -1 0 324.399 -0.454 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC2(C)CC1(C(=O)[O-])C2 ZINC000656525517 412007927 /nfs/dbraw/zinc/00/79/27/412007927.db2.gz ZYUXSRKPFLLNIR-HUUUCTMMSA-N -1 0 304.368 -0.268 20 0 DBADRM COC1CCN(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000656515247 412007977 /nfs/dbraw/zinc/00/79/77/412007977.db2.gz DBAYNHBTGDXILN-NSHDSACASA-N -1 0 308.356 -0.825 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])[C@H]1CCOC1 ZINC000656562574 412008543 /nfs/dbraw/zinc/00/85/43/412008543.db2.gz LAZMTKTXUSVNDT-AXFHLTTASA-N -1 0 307.368 -0.083 20 0 DBADRM CC[C@H](CS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)OC ZINC000656564106 412008710 /nfs/dbraw/zinc/00/87/10/412008710.db2.gz APMOLXQEZVQIRP-CKYFFXLPSA-N -1 0 307.368 -0.226 20 0 DBADRM COCC1(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000656564235 412008847 /nfs/dbraw/zinc/00/88/47/412008847.db2.gz GSJILKWXIDKHGU-BXKDBHETSA-N -1 0 305.352 -0.472 20 0 DBADRM CC(C)OCCS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656562774 412009226 /nfs/dbraw/zinc/00/92/26/412009226.db2.gz UEUGCHWBIKAFAC-ZYHUDNBSSA-N -1 0 307.368 -0.226 20 0 DBADRM COC[C@H](C)CS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656561612 412009323 /nfs/dbraw/zinc/00/93/23/412009323.db2.gz JXVHEIKILGNYOX-HOSYDEDBSA-N -1 0 307.368 -0.368 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)C[C@@H]1CCOC1)C2 ZINC000656562388 412009345 /nfs/dbraw/zinc/00/93/45/412009345.db2.gz OXCPWXMRYSCAGA-CKYFFXLPSA-N -1 0 305.352 -0.614 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)C[C@H]1CCCO1)C2 ZINC000656563174 412009734 /nfs/dbraw/zinc/00/97/34/412009734.db2.gz ZOVOZBNJHBGVNP-CKYFFXLPSA-N -1 0 305.352 -0.472 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)CCC[C@H]2CCOC2)CCOC1 ZINC000656564437 412010771 /nfs/dbraw/zinc/01/07/71/412010771.db2.gz NDGBINIQOWQHAL-CMPLNLGQSA-N -1 0 307.368 -0.034 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C[C@H](C)O1 ZINC000656720080 412011880 /nfs/dbraw/zinc/01/18/80/412011880.db2.gz MZXRYPBMDOUNGW-RKVXJDFWSA-N -1 0 304.368 -0.111 20 0 DBADRM Cc1cncc(CCNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC000656728294 412012016 /nfs/dbraw/zinc/01/20/16/412012016.db2.gz LANYTOAIHJSARD-NSHDSACASA-N -1 0 314.367 -0.289 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@H]1CCOC1 ZINC000656716405 412012170 /nfs/dbraw/zinc/01/21/70/412012170.db2.gz FXIQVELBNDJHDA-CBAPKCEASA-N -1 0 319.339 -0.562 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)CCO1 ZINC000656719776 412012246 /nfs/dbraw/zinc/01/22/46/412012246.db2.gz GJNAOCRIAKBKEG-UHFFFAOYSA-N -1 0 304.368 -0.109 20 0 DBADRM COCCn1cc(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)cn1 ZINC000656719595 412012621 /nfs/dbraw/zinc/01/26/21/412012621.db2.gz CVYVZOCZKWYAKA-UHFFFAOYSA-N -1 0 315.351 -0.233 20 0 DBADRM CO[C@H](CNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC000656719276 412012653 /nfs/dbraw/zinc/01/26/53/412012653.db2.gz URCUHIAKRIQCFP-GMTAPVOTSA-N -1 0 322.383 -0.579 20 0 DBADRM COCCN(CCF)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000656718694 412012738 /nfs/dbraw/zinc/01/27/38/412012738.db2.gz BKQXLEPWZPPZLR-SNVBAGLBSA-N -1 0 312.363 -0.054 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]23)n1 ZINC000656852222 412013634 /nfs/dbraw/zinc/01/36/34/412013634.db2.gz WVFUPLQNTGUUEV-BBBLOLIVSA-N -1 0 321.337 -0.004 20 0 DBADRM COCCN1CCN(S(=O)(=O)c2ccccc2[O-])CC1=O ZINC000656949287 412017516 /nfs/dbraw/zinc/01/75/16/412017516.db2.gz GEVUAWPPXXADDS-UHFFFAOYSA-N -1 0 314.363 -0.129 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccccc2[O-])C1 ZINC000656941502 412017990 /nfs/dbraw/zinc/01/79/90/412017990.db2.gz KSOQNUJUDXZSGV-SECBINFHSA-N -1 0 320.392 -0.296 20 0 DBADRM O=S(=O)(NC[C@@]1(OCCO)CCOC1)c1ccccc1[O-] ZINC000657092677 412028690 /nfs/dbraw/zinc/02/86/90/412028690.db2.gz WCSKVJNRUHWSHN-ZDUSSCGKSA-N -1 0 317.363 -0.162 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccccc1[O-] ZINC000657100258 412029691 /nfs/dbraw/zinc/02/96/91/412029691.db2.gz KVHHZFHWWVPEFA-WCBMZHEXSA-N -1 0 321.376 -0.518 20 0 DBADRM O=C(CNS(=O)(=O)c1ccccc1[O-])N1CCOCC1 ZINC000312180044 412047864 /nfs/dbraw/zinc/04/78/64/412047864.db2.gz XXQRVPKLHSXCJG-UHFFFAOYSA-N -1 0 300.336 -0.471 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1cccnc1C(=O)[O-])C1CC1 ZINC000659052273 412076674 /nfs/dbraw/zinc/07/66/74/412076674.db2.gz AIIHZEXSZHDCLZ-CQSZACIVSA-N -1 0 307.306 -0.005 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC[C@@H]1O ZINC000659059158 412077006 /nfs/dbraw/zinc/07/70/06/412077006.db2.gz RJXVGKUMCVNVNH-WPRPVWTQSA-N -1 0 307.306 -0.052 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N(CCO)CC(F)F ZINC000659059374 412077082 /nfs/dbraw/zinc/07/70/82/412077082.db2.gz PWHVGDGBYPMHAS-UHFFFAOYSA-N -1 0 317.248 -0.196 20 0 DBADRM C[C@]1(C(N)=O)CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659057291 412077238 /nfs/dbraw/zinc/07/72/38/412077238.db2.gz BLLATGALYKTURQ-AWEZNQCLSA-N -1 0 320.305 -0.558 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CC[C@](F)(CO)C1 ZINC000659059906 412076424 /nfs/dbraw/zinc/07/64/24/412076424.db2.gz VNPWDFTZVPQKJD-CYBMUJFWSA-N -1 0 311.269 -0.349 20 0 DBADRM O=C(CC1(n2cnnn2)CCOCC1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000659241296 412083020 /nfs/dbraw/zinc/08/30/20/412083020.db2.gz NNJZTJLDISAPPK-MGCOHNPYSA-N -1 0 309.326 -0.452 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659230257 412083425 /nfs/dbraw/zinc/08/34/25/412083425.db2.gz DTKHHBYGJNHUJH-AOOOYVTPSA-N -1 0 322.383 -0.736 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])nn1 ZINC000659238190 412084097 /nfs/dbraw/zinc/08/40/97/412084097.db2.gz UCOAUAUFWFTWDC-HZMBPMFUSA-N -1 0 323.353 -0.261 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O)C(=O)[O-] ZINC000659062184 412077836 /nfs/dbraw/zinc/07/78/36/412077836.db2.gz BZQKHGXAYDZTOA-QMMMGPOBSA-N -1 0 319.317 -0.252 20 0 DBADRM COc1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)ncn1 ZINC000659069447 412077927 /nfs/dbraw/zinc/07/79/27/412077927.db2.gz PMMGMJDOLRBMBD-UHFFFAOYSA-N -1 0 308.294 -0.205 20 0 DBADRM CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000659064554 412078338 /nfs/dbraw/zinc/07/83/38/412078338.db2.gz NCWVBUWNKXRCBV-SSDOTTSWSA-N -1 0 323.305 -0.417 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nn1C ZINC000659066906 412078745 /nfs/dbraw/zinc/07/87/45/412078745.db2.gz QDFPMCPRZQYXKG-YMTOWFKASA-N -1 0 322.321 -0.773 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC000659117734 412080868 /nfs/dbraw/zinc/08/08/68/412080868.db2.gz LPZCQKQPYHUUAT-SNVBAGLBSA-N -1 0 309.326 -0.498 20 0 DBADRM O=C([O-])C1(CNC(=O)CC2(n3cnnn3)CCOCC2)CCC1 ZINC000659135941 412081069 /nfs/dbraw/zinc/08/10/69/412081069.db2.gz OLKNSJZSRGFFSQ-UHFFFAOYSA-N -1 0 323.353 -0.060 20 0 DBADRM C[C@@H](CN(C)C(=O)CC1(n2cnnn2)CCOCC1)C(=O)[O-] ZINC000659131736 412081075 /nfs/dbraw/zinc/08/10/75/412081075.db2.gz WVJPRQBEEZZCGJ-JTQLQIEISA-N -1 0 311.342 -0.252 20 0 DBADRM Cc1oc(C(=O)N2CC3CC2(C(=O)[O-])C3)cc1S(N)(=O)=O ZINC000659179715 412081575 /nfs/dbraw/zinc/08/15/75/412081575.db2.gz XCDZOKAEPLCBHW-UHFFFAOYSA-N -1 0 314.319 -0.075 20 0 DBADRM CC(C)(CNC(=O)CC1(n2cnnn2)CCOCC1)C(=O)[O-] ZINC000659135341 412081677 /nfs/dbraw/zinc/08/16/77/412081677.db2.gz CHKSKOGPHPRPCU-UHFFFAOYSA-N -1 0 311.342 -0.204 20 0 DBADRM C[C@H]1CC[C@@](NC(=O)[C@H]2CCS(=O)(=O)N2)(C(=O)[O-])CC1 ZINC000659179527 412081789 /nfs/dbraw/zinc/08/17/89/412081789.db2.gz LFTWCIKNCLHBKM-KBVBSXBZSA-N -1 0 304.368 -0.172 20 0 DBADRM CCC[C@@H](CNC(=O)C1(n2cnnn2)CCOCC1)C(=O)[O-] ZINC000659161207 412081962 /nfs/dbraw/zinc/08/19/62/412081962.db2.gz PKGLOTDMKMYBHQ-JTQLQIEISA-N -1 0 311.342 -0.204 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])cc1 ZINC000659174321 412082125 /nfs/dbraw/zinc/08/21/25/412082125.db2.gz ZGDQGTPYIYRACA-NEPJUHHUSA-N -1 0 317.305 -0.057 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000660450339 412139432 /nfs/dbraw/zinc/13/94/32/412139432.db2.gz RMRLSVBYEUQXJK-VHSXEESVSA-N -1 0 316.383 -0.498 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659401600 412086651 /nfs/dbraw/zinc/08/66/51/412086651.db2.gz NDQQDKUREINJFU-GPCCPHFNSA-N -1 0 313.354 -0.404 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659409907 412086766 /nfs/dbraw/zinc/08/67/66/412086766.db2.gz LHRYCQMRPASKEO-VWMGYNLJSA-N -1 0 300.311 -0.857 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCCCn1cncn1)C2 ZINC000659392348 412087111 /nfs/dbraw/zinc/08/71/11/412087111.db2.gz IXVGKNXXHAQHBH-ZWNOBZJWSA-N -1 0 309.326 -0.589 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659420222 412087151 /nfs/dbraw/zinc/08/71/51/412087151.db2.gz APSGNHFFKHAINK-VIFPVBQESA-N -1 0 319.383 -0.426 20 0 DBADRM CCc1nncn1CCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659396963 412087273 /nfs/dbraw/zinc/08/72/73/412087273.db2.gz GNKYVHXOUQMDMB-QMTHXVAHSA-N -1 0 323.353 -0.417 20 0 DBADRM NC(=O)c1coc(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000659401335 412087477 /nfs/dbraw/zinc/08/74/77/412087477.db2.gz JFHXEHZQFVLUQM-YMTOWFKASA-N -1 0 323.305 -0.379 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659422868 412087488 /nfs/dbraw/zinc/08/74/88/412087488.db2.gz MYPINOJBUMNYEF-QMMMGPOBSA-N -1 0 305.356 -0.686 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCCCn2cccn2)CCC1 ZINC000659646636 412098292 /nfs/dbraw/zinc/09/82/92/412098292.db2.gz LGHCQVXEYZYXPR-UHFFFAOYSA-N -1 0 308.338 -0.240 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659650364 412098307 /nfs/dbraw/zinc/09/83/07/412098307.db2.gz FFVADUQCGWDIHE-UHFFFAOYSA-N -1 0 308.338 -0.321 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C1CC1 ZINC000659649892 412098397 /nfs/dbraw/zinc/09/83/97/412098397.db2.gz OJYSNCWMLPTMIT-ZVWUFJHRSA-N -1 0 310.350 -0.292 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCCOCC(F)F)CCC1 ZINC000659654892 412098499 /nfs/dbraw/zinc/09/84/99/412098499.db2.gz CLCWLTSOLUTMEE-UHFFFAOYSA-N -1 0 308.281 -0.245 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)CCC1 ZINC000659652589 412098674 /nfs/dbraw/zinc/09/86/74/412098674.db2.gz WTJRSVVRBXNQMT-JTQLQIEISA-N -1 0 320.349 -0.246 20 0 DBADRM Cc1occc1CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659649943 412098920 /nfs/dbraw/zinc/09/89/20/412098920.db2.gz PVDGVZNXHKWSIB-IAQYHMDHSA-N -1 0 322.317 -0.236 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659654313 412099272 /nfs/dbraw/zinc/09/92/72/412099272.db2.gz KGHPASGSDCKLSB-JTQLQIEISA-N -1 0 316.354 -0.475 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCOC[C@@H]2C2CC2)CCC1 ZINC000659667271 412099903 /nfs/dbraw/zinc/09/99/03/412099903.db2.gz JDOFZILGAAJOAK-LLVKDONJSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000659658809 412099908 /nfs/dbraw/zinc/09/99/08/412099908.db2.gz NHUAOJJYONSJPT-GASCZTMLSA-N -1 0 310.350 -0.004 20 0 DBADRM CCn1ccc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC000659656812 412100259 /nfs/dbraw/zinc/10/02/59/412100259.db2.gz WHZLRNFNEBXDDR-UHFFFAOYSA-N -1 0 308.338 -0.110 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC(=O)N(C)CC1)C(=O)[O-] ZINC000659663417 412100501 /nfs/dbraw/zinc/10/05/01/412100501.db2.gz YFMWRCDSBUVHJY-SNVBAGLBSA-N -1 0 313.354 -0.850 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCO[C@@H]2CC2(F)F)C1 ZINC000659662545 412100548 /nfs/dbraw/zinc/10/05/48/412100548.db2.gz GNRBNORKFGSQNJ-HTQZYQBOSA-N -1 0 306.265 -0.540 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)nn1 ZINC000659665061 412100847 /nfs/dbraw/zinc/10/08/47/412100847.db2.gz UVCSAUINONOAMH-ONGXEEELSA-N -1 0 323.353 -0.517 20 0 DBADRM C[C@H]1[C@H](CO)CCCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659670728 412101272 /nfs/dbraw/zinc/10/12/72/412101272.db2.gz OGSKUDPFQOIDKA-QWRGUYRKSA-N -1 0 312.366 -0.023 20 0 DBADRM CN(CCc1cnccn1)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659667488 412101640 /nfs/dbraw/zinc/10/16/40/412101640.db2.gz LUIGOWYYLFCWFC-UHFFFAOYSA-N -1 0 320.349 -0.151 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@@H](n3cncn3)C2)CCC1 ZINC000659668536 412101790 /nfs/dbraw/zinc/10/17/90/412101790.db2.gz XOJWCQWEVFATFX-SNVBAGLBSA-N -1 0 321.337 -0.577 20 0 DBADRM CN(Cc1nccn1C)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659668126 412102078 /nfs/dbraw/zinc/10/20/78/412102078.db2.gz GRZPKJSLWHSMLS-UHFFFAOYSA-N -1 0 308.338 -0.250 20 0 DBADRM CN1CC(=O)N(CCN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC000660557997 412142626 /nfs/dbraw/zinc/14/26/26/412142626.db2.gz PSFBLADXDLJXED-SECBINFHSA-N -1 0 308.342 -0.416 20 0 DBADRM CCN(C(=O)CC1(n2cnnn2)CCOCC1)[C@@H](C)C(=O)[O-] ZINC000659768465 412122474 /nfs/dbraw/zinc/12/24/74/412122474.db2.gz GOXYRSYUQOAPRI-JTQLQIEISA-N -1 0 311.342 -0.110 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1)C(=O)[O-] ZINC000659761741 412122505 /nfs/dbraw/zinc/12/25/05/412122505.db2.gz QWDRHYNYCCMFEV-JFUSQASVSA-N -1 0 307.306 -0.431 20 0 DBADRM CN1C(=O)CO[C@H](C(=O)NCCC(=O)[O-])[C@H]1c1cccnc1 ZINC000659762066 412122667 /nfs/dbraw/zinc/12/26/67/412122667.db2.gz AGLCNJFJYOXHMH-OLZOCXBDSA-N -1 0 307.306 -0.429 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)c2cccc(OCC(=O)[O-])c2)CCO1 ZINC000659760817 412122713 /nfs/dbraw/zinc/12/27/13/412122713.db2.gz UFMVVWNWWQSDFR-GFCCVEGCSA-N -1 0 322.317 -0.263 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000659777807 412122819 /nfs/dbraw/zinc/12/28/19/412122819.db2.gz JEFQIVAAIOPZSU-LALPHHSUSA-N -1 0 310.350 -0.196 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659778351 412122884 /nfs/dbraw/zinc/12/28/84/412122884.db2.gz HMLAOZQKDVAVCD-ZWNOBZJWSA-N -1 0 319.379 -0.383 20 0 DBADRM O=C([O-])COc1ccc(C(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000659758476 412123091 /nfs/dbraw/zinc/12/30/91/412123091.db2.gz SFOUFBCXFRVXQL-UHFFFAOYSA-N -1 0 321.289 -0.568 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000659777808 412123243 /nfs/dbraw/zinc/12/32/43/412123243.db2.gz JEFQIVAAIOPZSU-YWPYICTPSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@H]1CC(=O)N(C3CC3)C1)C2 ZINC000659778421 412124021 /nfs/dbraw/zinc/12/40/21/412124021.db2.gz XWXYAXOSBIJQER-FEUHOPSXSA-N -1 0 308.334 -0.443 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCSCC1)C2 ZINC000662901958 412208909 /nfs/dbraw/zinc/20/89/09/412208909.db2.gz AFCVQNKRMYDCMH-NOZJJQNGSA-N -1 0 314.363 -0.879 20 0 DBADRM Cc1nc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)sc1S(N)(=O)=O ZINC000662895635 412209013 /nfs/dbraw/zinc/20/90/13/412209013.db2.gz DWJIVAWPRYXBSK-FSDSQADBSA-N -1 0 321.380 -0.265 20 0 DBADRM CC1(C)CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662903381 412209784 /nfs/dbraw/zinc/20/97/84/412209784.db2.gz ASHBPEQGODGXEA-MEBBXXQBSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC3(CCC3)C1)C2 ZINC000662903457 412210015 /nfs/dbraw/zinc/21/00/15/412210015.db2.gz CNMMVUUYXZRZJQ-BDJLRTHQSA-N -1 0 322.361 -0.051 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@@](O)(C2CC2)C1)C(=O)[O-] ZINC000662913481 412210915 /nfs/dbraw/zinc/21/09/15/412210915.db2.gz LKEQBBVVZXAMKE-BONVTDFDSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cn(C)nn2)C[C@H]1C(=O)[O-] ZINC000662911067 412211164 /nfs/dbraw/zinc/21/11/64/412211164.db2.gz RBYOKTOWBXWMDT-MWLCHTKSSA-N -1 0 323.353 -0.657 20 0 DBADRM CN1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)CCC1=O ZINC000662917264 412211955 /nfs/dbraw/zinc/21/19/55/412211955.db2.gz MKYHIBAMGZUBCF-UHFFFAOYSA-N -1 0 311.338 -1.000 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)[C@H]1CCO ZINC000662915958 412212550 /nfs/dbraw/zinc/21/25/50/412212550.db2.gz PWRUJQAKRYNMCE-WOPDTQHZSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@]12COC[C@@H]1CN(C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)C2 ZINC000662914642 412212828 /nfs/dbraw/zinc/21/28/28/412212828.db2.gz SHOOPXKPOJACRJ-ZETOZRRWSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000314890469 412164346 /nfs/dbraw/zinc/16/43/46/412164346.db2.gz MKFLVFFUBRXEFT-SNVBAGLBSA-N -1 0 314.367 -0.578 20 0 DBADRM NC(=O)[C@@H]1Cc2ccccc2N([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662202657 412172541 /nfs/dbraw/zinc/17/25/41/412172541.db2.gz NZKZNCQLBXXBCQ-YPMHNXCESA-N -1 0 317.345 -0.164 20 0 DBADRM COCCN1C[C@@H](C(=O)NC2(C(=O)[O-])CCOCC2)CC1=O ZINC000317038462 412261623 /nfs/dbraw/zinc/26/16/23/412261623.db2.gz UMYXPFXZEPPXJZ-JTQLQIEISA-N -1 0 314.338 -0.769 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)NC2(C(=O)[O-])CCCC2)C1 ZINC000663021412 412223148 /nfs/dbraw/zinc/22/31/48/412223148.db2.gz NDKCGDQCBPRMMO-VIFPVBQESA-N -1 0 319.383 -0.585 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663050681 412223829 /nfs/dbraw/zinc/22/38/29/412223829.db2.gz KKHVQKFCFRORIF-ZJUUUORDSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@H]1CN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)CCN1S(C)(=O)=O ZINC000663047069 412223868 /nfs/dbraw/zinc/22/38/68/412223868.db2.gz CRPKDNLWTMOUKF-ZANVPECISA-N -1 0 318.395 -0.020 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC000663051111 412223886 /nfs/dbraw/zinc/22/38/86/412223886.db2.gz LPNXMMUXHKAJNO-SNVBAGLBSA-N -1 0 316.379 -0.195 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC000663048799 412223922 /nfs/dbraw/zinc/22/39/22/412223922.db2.gz LSVIBZGRJLNYEC-NSHDSACASA-N -1 0 318.395 -0.115 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000663037796 412224028 /nfs/dbraw/zinc/22/40/28/412224028.db2.gz KUFBFLGDUFPXNC-LLVKDONJSA-N -1 0 302.308 -0.238 20 0 DBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC000663041235 412224067 /nfs/dbraw/zinc/22/40/67/412224067.db2.gz VZXJWDPIFXSTDJ-WCBMZHEXSA-N -1 0 319.383 -0.871 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC000663040857 412224195 /nfs/dbraw/zinc/22/41/95/412224195.db2.gz SDPFNGKECRXILX-ZDUSSCGKSA-N -1 0 311.382 -0.232 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)CNC(=O)C2)CCO1 ZINC000663023609 412224301 /nfs/dbraw/zinc/22/43/01/412224301.db2.gz XEUORDIOWQETGE-BLLLJJGKSA-N -1 0 318.329 -0.244 20 0 DBADRM CC(C)C[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663022413 412224359 /nfs/dbraw/zinc/22/43/59/412224359.db2.gz JSQYGXJVCDBKFQ-ZJUUUORDSA-N -1 0 321.399 -0.483 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)CC2 ZINC000663047093 412224566 /nfs/dbraw/zinc/22/45/66/412224566.db2.gz AYPHCFOGYKDJJY-CABZTGNLSA-N -1 0 308.338 -0.034 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000663045095 412224601 /nfs/dbraw/zinc/22/46/01/412224601.db2.gz WZMRKSAEEDIFGY-OTYXRUKQSA-N -1 0 324.337 -0.560 20 0 DBADRM C[C@@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C[C@H]1C(=O)[O-] ZINC000663059788 412225170 /nfs/dbraw/zinc/22/51/70/412225170.db2.gz XNGBBUYRAHSBJL-GHMZBOCLSA-N -1 0 323.353 -0.252 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000663052951 412225339 /nfs/dbraw/zinc/22/53/39/412225339.db2.gz YSALSWIZSJTTKU-TVQRCGJNSA-N -1 0 318.395 -0.115 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@](C)(OC)C(=O)[O-])C1 ZINC000663062640 412225349 /nfs/dbraw/zinc/22/53/49/412225349.db2.gz HVQWUXXKROWPCH-GZMMTYOYSA-N -1 0 308.356 -0.984 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC000663052694 412225377 /nfs/dbraw/zinc/22/53/77/412225377.db2.gz VVHINXJLKMRHAO-PSASIEDQSA-N -1 0 304.368 -0.505 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC000663063379 412225406 /nfs/dbraw/zinc/22/54/06/412225406.db2.gz FUPHEIPLDKSENJ-VHSXEESVSA-N -1 0 304.368 -0.363 20 0 DBADRM COc1ccc(CNC(=O)CNC(=O)[C@@](C)(OC)C(=O)[O-])cc1 ZINC000663074741 412225425 /nfs/dbraw/zinc/22/54/25/412225425.db2.gz HIUXOQQASHYLLJ-OAHLLOKOSA-N -1 0 324.333 -0.083 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000663067314 412225536 /nfs/dbraw/zinc/22/55/36/412225536.db2.gz OOGQAUHSDHKILE-GFCCVEGCSA-N -1 0 316.335 -0.560 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663065079 412225591 /nfs/dbraw/zinc/22/55/91/412225591.db2.gz ZIXHKEFDMUJYKQ-SECBINFHSA-N -1 0 306.384 -0.069 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C1(C(=O)[O-])CC=CC1 ZINC000663073194 412225658 /nfs/dbraw/zinc/22/56/58/412225658.db2.gz ZHGXCJSDQPODCD-SNVBAGLBSA-N -1 0 323.349 -0.739 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000663061661 412225692 /nfs/dbraw/zinc/22/56/92/412225692.db2.gz QMNZFBOYBHJGNI-LNLATYFQSA-N -1 0 322.383 -0.690 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000663072937 412225743 /nfs/dbraw/zinc/22/57/43/412225743.db2.gz VULGQSHIWYVHJZ-JTQLQIEISA-N -1 0 306.384 -0.067 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C1CC1 ZINC000663053662 412225747 /nfs/dbraw/zinc/22/57/47/412225747.db2.gz DRHYYERTGUSXGU-IUCAKERBSA-N -1 0 319.383 -0.634 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000663106148 412226182 /nfs/dbraw/zinc/22/61/82/412226182.db2.gz WNWFCXLSZUZSDY-NSHDSACASA-N -1 0 315.355 -0.741 20 0 DBADRM CCN(C(=O)CCn1cc(S(N)(=O)=O)cn1)[C@@H](C)C(=O)[O-] ZINC000663122839 412226200 /nfs/dbraw/zinc/22/62/00/412226200.db2.gz BONZLFMBBFQOMQ-QMMMGPOBSA-N -1 0 318.355 -0.758 20 0 DBADRM Cn1ccnc(N2CCN(C(=O)[C@H](C(=O)[O-])C3CC3)CC2)c1=O ZINC000663101834 412226236 /nfs/dbraw/zinc/22/62/36/412226236.db2.gz LQEKPXXVFGZDLY-LLVKDONJSA-N -1 0 320.349 -0.460 20 0 DBADRM CCN(C(=O)c1ccc(S(N)(=O)=O)cn1)[C@H](C)C(=O)[O-] ZINC000663126129 412226363 /nfs/dbraw/zinc/22/63/63/412226363.db2.gz UYHSGORVBLTRGJ-SSDOTTSWSA-N -1 0 301.324 -0.336 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCC(=O)NCCc1ccccc1 ZINC000663098779 412226495 /nfs/dbraw/zinc/22/64/95/412226495.db2.gz WTZNTDOGKDMLFN-HNNXBMFYSA-N -1 0 308.334 -0.049 20 0 DBADRM CCN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@@H](C)C(=O)[O-] ZINC000663126842 412226575 /nfs/dbraw/zinc/22/65/75/412226575.db2.gz ZUFIVHLZWJEECW-IUCAKERBSA-N -1 0 307.372 -0.777 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000663127167 412226596 /nfs/dbraw/zinc/22/65/96/412226596.db2.gz HQJKRFQKINLWKR-RGOKHQFPSA-N -1 0 305.352 -0.585 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663098492 412226607 /nfs/dbraw/zinc/22/66/07/412226607.db2.gz LCDWMKGTQPPGGG-ZJUUUORDSA-N -1 0 304.368 -0.363 20 0 DBADRM NC(=O)CNC(=O)c1cccc(NC(=O)[C@H](C(=O)[O-])C2CC2)c1 ZINC000663088301 412226780 /nfs/dbraw/zinc/22/67/80/412226780.db2.gz HTZSXXNERQKIBB-GFCCVEGCSA-N -1 0 319.317 -0.049 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000663120656 412226785 /nfs/dbraw/zinc/22/67/85/412226785.db2.gz XWGAVHXHLGUMPT-BDAKNGLRSA-N -1 0 307.372 -0.777 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000663081041 412226941 /nfs/dbraw/zinc/22/69/41/412226941.db2.gz YFAILTKRTYNCMQ-CYBMUJFWSA-N -1 0 318.395 -0.019 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)[C@@H](C(=O)[O-])C3CC3)C2=O)cn1 ZINC000663083212 412226991 /nfs/dbraw/zinc/22/69/91/412226991.db2.gz JPOFJYQTMGJPFL-MNOVXSKESA-N -1 0 306.322 -0.248 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000663120428 412226998 /nfs/dbraw/zinc/22/69/98/412226998.db2.gz WLASGWDKGZULQT-AWEZNQCLSA-N -1 0 305.290 -0.200 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000663142376 412227293 /nfs/dbraw/zinc/22/72/93/412227293.db2.gz ZIHPTUVRCDDGRC-SECBINFHSA-N -1 0 319.383 -0.727 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)nn1 ZINC000663130070 412227365 /nfs/dbraw/zinc/22/73/65/412227365.db2.gz DQMPLPGFGWQMJB-CQSZACIVSA-N -1 0 324.337 -0.133 20 0 DBADRM CNS(=O)(=O)CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000663134340 412227463 /nfs/dbraw/zinc/22/74/63/412227463.db2.gz IKCCSBDROLIRFS-NSHDSACASA-N -1 0 312.347 -0.254 20 0 DBADRM Cc1sc(=O)n(CC(=O)N[C@]2(C(=O)[O-])CCOC2)c1C ZINC000663130502 412227511 /nfs/dbraw/zinc/22/75/11/412227511.db2.gz KQTTUGFMXUTPGS-GFCCVEGCSA-N -1 0 300.336 -0.113 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)nn1 ZINC000663130069 412227530 /nfs/dbraw/zinc/22/75/30/412227530.db2.gz DQMPLPGFGWQMJB-AWEZNQCLSA-N -1 0 324.337 -0.133 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000663131303 412227556 /nfs/dbraw/zinc/22/75/56/412227556.db2.gz QFWNJQLWAZUMDW-CQSZACIVSA-N -1 0 307.306 -0.443 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC000663144559 412227659 /nfs/dbraw/zinc/22/76/59/412227659.db2.gz LZDYBSDXOQHFQW-LURJTMIESA-N -1 0 304.299 -0.190 20 0 DBADRM Cc1nc(C(=O)NCC2(C(=O)[O-])CCC2)nn1-c1nc[nH]n1 ZINC000663142270 412227969 /nfs/dbraw/zinc/22/79/69/412227969.db2.gz WLXCYEVSWRPAAI-UHFFFAOYSA-N -1 0 305.298 -0.321 20 0 DBADRM Cc1ccc2ncc(C(=O)N[C@]3(C(=O)[O-])CCOC3)c(=O)n2c1 ZINC000663132831 412227991 /nfs/dbraw/zinc/22/79/91/412227991.db2.gz ZDXDSAZOPDPYPY-OAHLLOKOSA-N -1 0 317.301 -0.024 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N[C@]1(C(=O)[O-])CCOC1)n1cccn1 ZINC000663131405 412228025 /nfs/dbraw/zinc/22/80/25/412228025.db2.gz QZCVNSPLFQRSFR-IINYFYTJSA-N -1 0 324.337 -0.738 20 0 DBADRM CN(C)c1ncnc2c1ncn2[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000663219853 412229108 /nfs/dbraw/zinc/22/91/08/412229108.db2.gz LPTQEJAYYWGHJV-MRVPVSSYSA-N -1 0 304.310 -0.250 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)CCC(=O)N2CCOCC2)n1 ZINC000663145382 412229355 /nfs/dbraw/zinc/22/93/55/412229355.db2.gz RNTMWCFHQFNOLU-UHFFFAOYSA-N -1 0 310.310 -0.455 20 0 DBADRM CN1CC[C@H](C(=O)NC[C@H](C(=O)[O-])C2CCC2)S1(=O)=O ZINC000663153468 412229528 /nfs/dbraw/zinc/22/95/28/412229528.db2.gz LKARIDCFBASAOZ-VHSXEESVSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2C[C@@]1(C(=O)[O-])[C@@H]2C ZINC000663292752 412230273 /nfs/dbraw/zinc/23/02/73/412230273.db2.gz HWNQYMZMWJAUSW-ARHDFHRDSA-N -1 0 304.368 -0.412 20 0 DBADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CN1CCNCC1=O ZINC000663280999 412230447 /nfs/dbraw/zinc/23/04/47/412230447.db2.gz XPHXBMWAUNLYSU-OAHLLOKOSA-N -1 0 317.345 -0.371 20 0 DBADRM CCc1nc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cn1CC1CC1 ZINC000663285921 412230539 /nfs/dbraw/zinc/23/05/39/412230539.db2.gz LJBZKMPQZLSIRT-VIFPVBQESA-N -1 0 317.367 -0.421 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)[O-])N(S(=O)(=O)c1ccco1)C2 ZINC000663252294 412230597 /nfs/dbraw/zinc/23/05/97/412230597.db2.gz GMJUCVDEFQJQGU-MRVPVSSYSA-N -1 0 312.307 -0.163 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663254877 412230665 /nfs/dbraw/zinc/23/06/65/412230665.db2.gz DOUDTZLBLGHQRS-WPRPVWTQSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C([O-])[C@@H]1N(S(=O)(=O)[C@H]2CCOC2)CC12CCOCC2 ZINC000663287597 412230939 /nfs/dbraw/zinc/23/09/39/412230939.db2.gz KRXBAHHEKBAILM-UWVGGRQHSA-N -1 0 305.352 -0.329 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663254871 412230949 /nfs/dbraw/zinc/23/09/49/412230949.db2.gz DOUDTZLBLGHQRS-PSASIEDQSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C([O-])[C@H](CNC(=O)N1CCS(=O)(=O)CC1)C1CCC1 ZINC000663255860 412231075 /nfs/dbraw/zinc/23/10/75/412231075.db2.gz MJUHWDMSGHZWDL-SNVBAGLBSA-N -1 0 304.368 -0.073 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccnc(OCCO)c2)CCO1 ZINC000663358636 412232041 /nfs/dbraw/zinc/23/20/41/412232041.db2.gz LNAXTWUCHHBCMI-JTQLQIEISA-N -1 0 311.294 -0.230 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CC[C@H]3COC[C@H]3C2)C1 ZINC000663429873 412232736 /nfs/dbraw/zinc/23/27/36/412232736.db2.gz JSGDRPIQPKMZJD-GRYCIOLGSA-N -1 0 318.395 -0.004 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCc2nccnc2C1 ZINC000663432716 412233095 /nfs/dbraw/zinc/23/30/95/412233095.db2.gz WEANVGXKVUTCHV-UHFFFAOYSA-N -1 0 309.307 -0.355 20 0 DBADRM Cn1cc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)cn1 ZINC000663620707 412236466 /nfs/dbraw/zinc/23/64/66/412236466.db2.gz QPLONMYUZNUOFJ-LLVKDONJSA-N -1 0 308.338 -0.347 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCO[C@@](C)(C(F)F)C1)C(=O)[O-] ZINC000663629915 412236853 /nfs/dbraw/zinc/23/68/53/412236853.db2.gz NQFVRNYKABPIQC-JVXZTZIISA-N -1 0 308.281 -0.294 20 0 DBADRM C[C@@]1(O)CCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663633376 412237005 /nfs/dbraw/zinc/23/70/05/412237005.db2.gz PJTRUDJNEVVCGV-XHDPSFHLSA-N -1 0 312.366 -0.023 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663621443 412237007 /nfs/dbraw/zinc/23/70/07/412237007.db2.gz QWCKXHAPRLKWTD-SNVBAGLBSA-N -1 0 313.354 -0.754 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663634792 412237077 /nfs/dbraw/zinc/23/70/77/412237077.db2.gz MUOYQNCXKDFKGW-MWLCHTKSSA-N -1 0 300.355 -0.167 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)NCCn1ccnc1)C1CCC1 ZINC000663617269 412237123 /nfs/dbraw/zinc/23/71/23/412237123.db2.gz DOUXEIBXYHDKCV-LLVKDONJSA-N -1 0 308.338 -0.384 20 0 DBADRM CN(CCCCO)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663636928 412237980 /nfs/dbraw/zinc/23/79/80/412237980.db2.gz VUVQVPXLFYBYSG-LLVKDONJSA-N -1 0 300.355 -0.166 20 0 DBADRM COCCc1ccc(OC[C@H](O)CN=c2nn[n-]n2C)cc1 ZINC000664146493 412249034 /nfs/dbraw/zinc/24/90/34/412249034.db2.gz YQXBZNDVAGTGBG-GFCCVEGCSA-N -1 0 307.354 -0.327 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)NC[C@@H](C(=O)[O-])C2CCC2)O1 ZINC000665308199 412305855 /nfs/dbraw/zinc/30/58/55/412305855.db2.gz XBHBDINJGGQMIP-MXWKQRLJSA-N -1 0 313.354 -0.181 20 0 DBADRM NS(=O)(=O)c1cc(CNC(=O)NCCC(=O)[O-])ccc1F ZINC000665313163 412306663 /nfs/dbraw/zinc/30/66/63/412306663.db2.gz BRHSUVNVWMTDAI-UHFFFAOYSA-N -1 0 319.314 -0.253 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665312232 412306715 /nfs/dbraw/zinc/30/67/15/412306715.db2.gz GSLLUHVWTMASHB-JTQLQIEISA-N -1 0 321.399 -0.145 20 0 DBADRM O=C([O-])[C@H](CNC(=O)NCCN1C(=O)CCC1=O)C1CCC1 ZINC000665304945 412304576 /nfs/dbraw/zinc/30/45/76/412304576.db2.gz LABMUZCKBZJNDS-SNVBAGLBSA-N -1 0 311.338 -0.065 20 0 DBADRM COC(=O)c1cnc([N-]S(=O)(=O)C[C@H](OC)C2CC2)cn1 ZINC000563136055 412383839 /nfs/dbraw/zinc/38/38/39/412383839.db2.gz QHRKSJMFTAXCNL-JTQLQIEISA-N -1 0 315.351 0.430 20 0 DBADRM COC(=O)c1cnc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)cn1 ZINC000563136057 412384613 /nfs/dbraw/zinc/38/46/13/412384613.db2.gz QHRKSJMFTAXCNL-SNVBAGLBSA-N -1 0 315.351 0.430 20 0 DBADRM COCCCn1ccc(NC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC000435360232 412395560 /nfs/dbraw/zinc/39/55/60/412395560.db2.gz CASLLNZJHARMGA-UHFFFAOYSA-N -1 0 307.310 -0.029 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)n1 ZINC000345907715 412417845 /nfs/dbraw/zinc/41/78/45/412417845.db2.gz PGUPENZSQNMIKQ-UHFFFAOYSA-N -1 0 316.273 0.551 20 0 DBADRM CCN(CC)C(=O)CN1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000665631790 412418787 /nfs/dbraw/zinc/41/87/87/412418787.db2.gz LMZDTDMVGKAQRU-UHFFFAOYSA-N -1 0 323.397 -0.248 20 0 DBADRM O=S(=O)([N-]c1nc2ncccn2n1)c1cn2c(n1)CCCC2 ZINC000367900577 412427116 /nfs/dbraw/zinc/42/71/16/412427116.db2.gz FVTSMVYYXAKPGY-UHFFFAOYSA-N -1 0 319.350 0.458 20 0 DBADRM CCS(=O)(=O)NCCNc1ccc(C(=O)[O-])c(OC)n1 ZINC000579478594 412439526 /nfs/dbraw/zinc/43/95/26/412439526.db2.gz AKHWQFSXSTVXAM-UHFFFAOYSA-N -1 0 303.340 0.140 20 0 DBADRM COc1ccc(NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])nn1 ZINC000424437370 412441261 /nfs/dbraw/zinc/44/12/61/412441261.db2.gz NTSYDVKQEXZJPG-SECBINFHSA-N -1 0 324.337 0.287 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccn([C@H](C)COC)n1)C(=O)[O-] ZINC000567867293 412444611 /nfs/dbraw/zinc/44/46/11/412444611.db2.gz LWFKOXNVFZAQMF-RKDXNWHRSA-N -1 0 312.326 0.008 20 0 DBADRM COc1nc(NC[C@H]2CS(=O)(=O)CCO2)ccc1C(=O)[O-] ZINC000565034042 412456664 /nfs/dbraw/zinc/45/66/64/412456664.db2.gz CSRVRSPNVTVKDT-QMMMGPOBSA-N -1 0 316.335 0.014 20 0 DBADRM COc1nc(NCCN2CCCS2(=O)=O)ccc1C(=O)[O-] ZINC000565038367 412457000 /nfs/dbraw/zinc/45/70/00/412457000.db2.gz PLVDIQJSEGDEBR-UHFFFAOYSA-N -1 0 315.351 0.236 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNc2ncncc2C(=O)[O-])C1 ZINC000580835933 412458775 /nfs/dbraw/zinc/45/87/75/412458775.db2.gz QKXFGVLNXGZAHX-QMMMGPOBSA-N -1 0 300.340 -0.132 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1CNc1ncncc1C(=O)[O-] ZINC000563213457 412458834 /nfs/dbraw/zinc/45/88/34/412458834.db2.gz IHWASCNWZHZNNJ-SECBINFHSA-N -1 0 314.367 0.401 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNc2ncc(C(=O)[O-])cn2)C1 ZINC000566976024 412459087 /nfs/dbraw/zinc/45/90/87/412459087.db2.gz MGYOQWAZRDVLQL-MRVPVSSYSA-N -1 0 300.340 -0.132 20 0 DBADRM CS(=O)(=O)N1CCC(CNc2nc(C(=O)[O-])co2)CC1 ZINC000571213733 412459103 /nfs/dbraw/zinc/45/91/03/412459103.db2.gz LTPYDCQXMKXQSB-UHFFFAOYSA-N -1 0 303.340 0.456 20 0 DBADRM Cn1cc(-c2ccc(=NC(=O)N[C@H]3C[C@@H](C(N)=O)C3)[n-]n2)cn1 ZINC000650167316 412475340 /nfs/dbraw/zinc/47/53/40/412475340.db2.gz JCTQEXRVTOFKHS-CZMCAQCFSA-N -1 0 315.337 -0.316 20 0 DBADRM CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CCS(C)(=O)=O ZINC000376591858 287351687 /nfs/dbraw/zinc/35/16/87/287351687.db2.gz GADWVQZSCVSKSD-RKDXNWHRSA-N -1 0 313.397 -0.454 20 0 DBADRM CC[C@@](C)(NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-] ZINC000262372853 287388215 /nfs/dbraw/zinc/38/82/15/287388215.db2.gz BEEBOLBSZZKBHB-CYBMUJFWSA-N -1 0 301.343 -0.612 20 0 DBADRM CC(C)(C(=O)[O-])C1(O)CCN(S(=O)(=O)NC2CC2)CC1 ZINC000558590454 418942838 /nfs/dbraw/zinc/94/28/38/418942838.db2.gz LGVJCAPKDMWSKY-UHFFFAOYSA-N -1 0 306.384 -0.079 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650428234 418943552 /nfs/dbraw/zinc/94/35/52/418943552.db2.gz GXTOIVHCPBYMQV-JTQLQIEISA-N -1 0 314.367 -0.352 20 0 DBADRM CCn1nccc1S(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000650445992 418946985 /nfs/dbraw/zinc/94/69/85/418946985.db2.gz FBXFKKHVKNLIDY-RKDXNWHRSA-N -1 0 303.340 -0.234 20 0 DBADRM CCn1cncc1S(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000650446770 418947137 /nfs/dbraw/zinc/94/71/37/418947137.db2.gz JQMYRYLXWQQPPV-RKDXNWHRSA-N -1 0 303.340 -0.234 20 0 DBADRM CO[C@@H]1CC[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1 ZINC000663055017 418947157 /nfs/dbraw/zinc/94/71/57/418947157.db2.gz SWHSVOXBNBGABI-BBBLOLIVSA-N -1 0 305.352 -0.488 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CC[C@@H]2CCOC2)C[C@H](C(=O)[O-])O1 ZINC000650446822 418947165 /nfs/dbraw/zinc/94/71/65/418947165.db2.gz LMOYPLYBHKBGRW-OUAUKWLOSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000665786143 418948032 /nfs/dbraw/zinc/94/80/32/418948032.db2.gz JLIXFEGWRPHZED-SECBINFHSA-N -1 0 307.354 -0.460 20 0 DBADRM Cn1[n-]c(C(=O)NCCS(=O)(=O)NC(C)(C)C)cc1=O ZINC000666240848 418978132 /nfs/dbraw/zinc/97/81/32/418978132.db2.gz OBEJMZMIJLYMMK-UHFFFAOYSA-N -1 0 304.372 -0.427 20 0 DBADRM Cn1[n-]c(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1=O ZINC000666303853 418979660 /nfs/dbraw/zinc/97/96/60/418979660.db2.gz FUPVYNWBNYQWMA-UHFFFAOYSA-N -1 0 316.321 -0.291 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)Cn2cc(C(=O)[O-])nn2)[C@]12CCCO2 ZINC000668315199 544423496 /nfs/dbraw/zinc/42/34/96/544423496.db2.gz HADFRHPIOVAALL-JTNHKYCSSA-N -1 0 324.337 -0.181 20 0 DBADRM CC(C)[C@@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000088440029 544423901 /nfs/dbraw/zinc/42/39/01/544423901.db2.gz BXNPVTBPIXVMOZ-MRVPVSSYSA-N -1 0 309.388 -0.277 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)S1(=O)=O ZINC000668305632 544424971 /nfs/dbraw/zinc/42/49/71/544424971.db2.gz SBUKFLCNOSMZCR-NXEZZACHSA-N -1 0 320.367 -0.984 20 0 DBADRM CN(C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1)S(C)(=O)=O ZINC000668324705 544429330 /nfs/dbraw/zinc/42/93/30/544429330.db2.gz YKPZNQADIDSTHE-HBNTYKKESA-N -1 0 318.395 -0.163 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650428864 544448306 /nfs/dbraw/zinc/44/83/06/544448306.db2.gz VGLNTKBFAHGQNB-UWVGGRQHSA-N -1 0 317.367 -0.183 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000650428865 544448312 /nfs/dbraw/zinc/44/83/12/544448312.db2.gz VGLNTKBFAHGQNB-VHSXEESVSA-N -1 0 317.367 -0.183 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)c2cn3c(n2)CCCC3)n[n-]1 ZINC000443273922 544495103 /nfs/dbraw/zinc/49/51/03/544495103.db2.gz MPSVBJXAVSXRKJ-UHFFFAOYSA-N -1 0 310.339 -0.007 20 0 DBADRM COc1ccnc(CN2CCN(C(=O)C(=O)[O-])CC2)c1OC ZINC000396683954 544465538 /nfs/dbraw/zinc/46/55/38/544465538.db2.gz YEKOUFMAPVQSJR-UHFFFAOYSA-N -1 0 309.322 -0.172 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(Cc2ccccc2)CC1 ZINC000074733766 544474302 /nfs/dbraw/zinc/47/43/02/544474302.db2.gz BOMXFTMYFLMHKD-UHFFFAOYSA-N -1 0 315.333 -0.172 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC000400144641 544488280 /nfs/dbraw/zinc/48/82/80/544488280.db2.gz YLTONLDDVPTYAQ-UWVGGRQHSA-N -1 0 319.383 -0.331 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NCc2ccc(C(=O)[O-])o2)c1=O ZINC000316575599 544534966 /nfs/dbraw/zinc/53/49/66/544534966.db2.gz LSXMZKUTTHZELH-UHFFFAOYSA-N -1 0 307.262 -0.845 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1C(=O)[O-] ZINC000653291073 544502572 /nfs/dbraw/zinc/50/25/72/544502572.db2.gz QSBTWXKCSUVWLH-WDEREUQCSA-N -1 0 322.365 -0.050 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2cnc3sccn3c2=O)CCOC1 ZINC000085850080 544509837 /nfs/dbraw/zinc/50/98/37/544509837.db2.gz PQIOTBUMUYMYPN-GFCCVEGCSA-N -1 0 309.303 -0.271 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCC2(O)CCC2)c1 ZINC000668991814 544517977 /nfs/dbraw/zinc/51/79/77/544517977.db2.gz XDDOSUOIODREMY-UHFFFAOYSA-N -1 0 300.336 -0.316 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)CCOCC(F)(F)F ZINC000669443319 544567344 /nfs/dbraw/zinc/56/73/44/544567344.db2.gz IRHCEAUXPPRAPF-UHFFFAOYSA-N -1 0 323.289 -0.072 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCCS(=O)(=O)N(C)C)C(=O)[O-] ZINC000231021830 544574166 /nfs/dbraw/zinc/57/41/66/544574166.db2.gz KUEBWBLSWPOVII-SECBINFHSA-N -1 0 309.388 -0.466 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000087506629 544581408 /nfs/dbraw/zinc/58/14/08/544581408.db2.gz LHNZHFVMKWSVFI-JTQLQIEISA-N -1 0 321.399 -0.370 20 0 DBADRM O=C([O-])COCCNC(=O)Cn1cnc2sccc2c1=O ZINC000093226337 544607412 /nfs/dbraw/zinc/60/74/12/544607412.db2.gz HOZYOSBVUBFYTL-UHFFFAOYSA-N -1 0 311.319 -0.325 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NCCOCC(=O)[O-])cc1 ZINC000093226755 544607186 /nfs/dbraw/zinc/60/71/86/544607186.db2.gz DRTIQWUOICWLQL-UHFFFAOYSA-N -1 0 301.320 -0.079 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090906461 544601160 /nfs/dbraw/zinc/60/11/60/544601160.db2.gz USXVDQHIYXJXET-PHIMTYICSA-N -1 0 304.368 -0.109 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000400290625 544636101 /nfs/dbraw/zinc/63/61/01/544636101.db2.gz LHCGTYQIAHAZAQ-VIFPVBQESA-N -1 0 319.383 -0.426 20 0 DBADRM C[C@H](CNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000381227529 544649573 /nfs/dbraw/zinc/64/95/73/544649573.db2.gz XHNCXOQBEVHXHY-RKDXNWHRSA-N -1 0 307.372 -0.618 20 0 DBADRM C[C@@H](CNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000381227525 544649722 /nfs/dbraw/zinc/64/97/22/544649722.db2.gz XHNCXOQBEVHXHY-IUCAKERBSA-N -1 0 307.372 -0.618 20 0 DBADRM CCCN(C(=O)NCCNS(=O)(=O)CC)[C@H](C)C(=O)[O-] ZINC000654800196 544678370 /nfs/dbraw/zinc/67/83/70/544678370.db2.gz IXLLYONBRVXSTD-SECBINFHSA-N -1 0 309.388 -0.180 20 0 DBADRM CC(C)(C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)n1cccn1 ZINC000515672472 544643149 /nfs/dbraw/zinc/64/31/49/544643149.db2.gz BGQDVVKZVZLYJC-SECBINFHSA-N -1 0 315.351 -0.672 20 0 DBADRM CN1CC(=O)N(CC(=O)N2CCC(CCC(=O)[O-])CC2)C1=O ZINC000315107725 544727631 /nfs/dbraw/zinc/72/76/31/544727631.db2.gz UYMJWTJKEMIGOJ-UHFFFAOYSA-N -1 0 311.338 -0.016 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000166769103 544686660 /nfs/dbraw/zinc/68/66/60/544686660.db2.gz ZCHMVOXKJLQGIZ-UHFFFAOYSA-N -1 0 319.383 -0.472 20 0 DBADRM Cc1cc(C(=O)NCc2nnn[n-]2)cc(S(N)(=O)=O)c1C ZINC000673668475 544808955 /nfs/dbraw/zinc/80/89/55/544808955.db2.gz ZBKPZTTWQQNJFK-UHFFFAOYSA-N -1 0 310.339 -0.606 20 0 DBADRM C[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000673949820 544816386 /nfs/dbraw/zinc/81/63/86/544816386.db2.gz XMAWAUBNCFFJEP-IWSPIJDZSA-N -1 0 321.337 -0.310 20 0 DBADRM Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)ccc1-n1cnnn1 ZINC000673949268 544817080 /nfs/dbraw/zinc/81/70/80/544817080.db2.gz LIQGNDUVNHVIQT-UHFFFAOYSA-N -1 0 300.282 -0.276 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)NCc2nnn[n-]2)c1 ZINC000673991807 544817473 /nfs/dbraw/zinc/81/74/73/544817473.db2.gz VYBZNWIDYDTLMI-UHFFFAOYSA-N -1 0 302.341 -0.901 20 0 DBADRM O=C(C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O)c1ccc(O)cc1 ZINC000673142079 544796381 /nfs/dbraw/zinc/79/63/81/544796381.db2.gz QXRBUVHDFRSROH-OAHLLOKOSA-N -1 0 317.301 -0.225 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)C1 ZINC000674744039 544835744 /nfs/dbraw/zinc/83/57/44/544835744.db2.gz ZUFAEXPTYATZBR-RYUDHWBXSA-N -1 0 302.338 -0.264 20 0 DBADRM NS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])CC2 ZINC000675962865 544854942 /nfs/dbraw/zinc/85/49/42/544854942.db2.gz BSIAAIYBPRWEFQ-ZJUUUORDSA-N -1 0 310.331 -0.056 20 0 DBADRM Cc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1-n1cnnn1 ZINC000675998962 544855741 /nfs/dbraw/zinc/85/57/41/544855741.db2.gz XCSHIQMUVOLRLY-LBPRGKRZSA-N -1 0 317.305 -0.104 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000675986911 544855765 /nfs/dbraw/zinc/85/57/65/544855765.db2.gz ZMXMXEUJPGFPSM-GFCCVEGCSA-N -1 0 315.370 -0.366 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC000676206190 544859195 /nfs/dbraw/zinc/85/91/95/544859195.db2.gz QMTASRKSWKQENX-UHFFFAOYSA-N -1 0 300.336 -0.190 20 0 DBADRM C[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)[O-] ZINC000676209103 544859651 /nfs/dbraw/zinc/85/96/51/544859651.db2.gz YPMXBADTNCWICG-SECBINFHSA-N -1 0 314.363 -0.019 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000676213975 544859695 /nfs/dbraw/zinc/85/96/95/544859695.db2.gz NVVMZQFCSHZIHE-SNVBAGLBSA-N -1 0 307.368 -0.241 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N1CCO[C@@H](C(=O)[O-])C1)n1cccn1 ZINC000676215893 544859830 /nfs/dbraw/zinc/85/98/30/544859830.db2.gz QWQWKHIXIUHGGE-GHMZBOCLSA-N -1 0 324.337 -0.786 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CCO1 ZINC000676212948 544860053 /nfs/dbraw/zinc/86/00/53/544860053.db2.gz CEZOOBYFBHDIJC-FXQIFTODSA-N -1 0 324.255 -0.245 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000676217178 544860074 /nfs/dbraw/zinc/86/00/74/544860074.db2.gz XPJKAHVWNKVVDM-GFCCVEGCSA-N -1 0 322.317 -0.134 20 0 DBADRM Cc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c2c(=O)[nH]n(C)c2n1 ZINC000676216491 544860164 /nfs/dbraw/zinc/86/01/64/544860164.db2.gz UMHRTBGAICLFOB-VIFPVBQESA-N -1 0 320.305 -0.092 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1[O-] ZINC000676699179 544875801 /nfs/dbraw/zinc/87/58/01/544875801.db2.gz DFLOALDHJSHEKG-JTQLQIEISA-N -1 0 308.338 -0.067 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1[O-] ZINC000676699180 544876009 /nfs/dbraw/zinc/87/60/09/544876009.db2.gz DFLOALDHJSHEKG-SNVBAGLBSA-N -1 0 308.338 -0.067 20 0 DBADRM NC(=O)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCCCC1 ZINC000677950227 544902503 /nfs/dbraw/zinc/90/25/03/544902503.db2.gz MESWRBZBDYEMGT-QMMMGPOBSA-N -1 0 309.326 -0.163 20 0 DBADRM CC(C)[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N1CCOCC1 ZINC000677949012 544902977 /nfs/dbraw/zinc/90/29/77/544902977.db2.gz ITGXRUMBABXDKS-VIFPVBQESA-N -1 0 311.342 -0.631 20 0 DBADRM O=C(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)N1CCCCCC1 ZINC000677949388 544903040 /nfs/dbraw/zinc/90/30/40/544903040.db2.gz RXUHKLAPQCJISC-UHFFFAOYSA-N -1 0 309.326 -0.195 20 0 DBADRM CN(CCCNC(=O)c1cc(C(=O)[O-])co1)S(C)(=O)=O ZINC000680527487 544951667 /nfs/dbraw/zinc/95/16/67/544951667.db2.gz GWJHGUVQGFOIRT-UHFFFAOYSA-N -1 0 304.324 -0.011 20 0 DBADRM CS(=O)(=O)NCCC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000678934033 544923369 /nfs/dbraw/zinc/92/33/69/544923369.db2.gz ZSUWQMCJRXCJPT-UHFFFAOYSA-N -1 0 300.336 -0.060 20 0 DBADRM CN(CCCNC(=O)c1ccnc(C(=O)[O-])c1)S(C)(=O)=O ZINC000678990891 544924072 /nfs/dbraw/zinc/92/40/72/544924072.db2.gz PYYRBDJAHVYFLO-UHFFFAOYSA-N -1 0 315.351 -0.209 20 0 DBADRM O=C([O-])CCN(CC1CC1)C(=O)CN1CCCS1(=O)=O ZINC000678976041 544924148 /nfs/dbraw/zinc/92/41/48/544924148.db2.gz NFDODZZXSPLRJT-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])nn1 ZINC000679393055 544930426 /nfs/dbraw/zinc/93/04/26/544930426.db2.gz ATOUNFVJYNTIJD-SNVBAGLBSA-N -1 0 323.353 -0.164 20 0 DBADRM O=C([O-])C[C@H]1CCCCN1C(=O)CN1CCCS1(=O)=O ZINC000679401562 544930452 /nfs/dbraw/zinc/93/04/52/544930452.db2.gz ZSEMNONIWSIHOJ-SNVBAGLBSA-N -1 0 304.368 -0.122 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])nn1 ZINC000679393054 544930726 /nfs/dbraw/zinc/93/07/26/544930726.db2.gz ATOUNFVJYNTIJD-JTQLQIEISA-N -1 0 323.353 -0.164 20 0 DBADRM CC(C)[C@@H](NC(=O)NCCCN1CCCS1(=O)=O)C(=O)[O-] ZINC000679557229 544933282 /nfs/dbraw/zinc/93/32/82/544933282.db2.gz FQWACYOGOAWBEL-SNVBAGLBSA-N -1 0 321.399 -0.180 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NCC1(OC)CCOCC1 ZINC000679572958 544933533 /nfs/dbraw/zinc/93/35/33/544933533.db2.gz DPLINMINSASJEX-UHFFFAOYSA-N -1 0 304.343 -0.075 20 0 DBADRM CN(CC(=O)[O-])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000679560085 544933636 /nfs/dbraw/zinc/93/36/36/544933636.db2.gz FTAHHOVUWQNQAQ-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM Cn1c(C(=O)NCc2nn[n-]n2)cc2c1nc1ccccn1c2=O ZINC000682223826 544995573 /nfs/dbraw/zinc/99/55/73/544995573.db2.gz RDWYVCVKKUCHJC-UHFFFAOYSA-N -1 0 324.304 -0.371 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cc(N2CCOCC2)ccn1 ZINC000682228420 544995954 /nfs/dbraw/zinc/99/59/54/544995954.db2.gz WUCDOGWKXXRIDE-UHFFFAOYSA-N -1 0 304.310 -0.328 20 0 DBADRM O=C(CNC(=O)c1ccncc1)NC1(c2nnn[n-]2)CCCC1 ZINC000681120419 544964228 /nfs/dbraw/zinc/96/42/28/544964228.db2.gz GAKWMLPXVKIJML-UHFFFAOYSA-N -1 0 315.337 -0.090 20 0 DBADRM CN1CC[C@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)C1=O ZINC000681245992 544967699 /nfs/dbraw/zinc/96/76/99/544967699.db2.gz PVFJJGPWEXXIRD-RXMQYKEDSA-N -1 0 319.368 -0.674 20 0 DBADRM Cc1noc2ncc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc12 ZINC000681557710 544974609 /nfs/dbraw/zinc/97/46/09/544974609.db2.gz YEJJQQPUAOXGNO-SECBINFHSA-N -1 0 315.307 -0.355 20 0 DBADRM CC(C)c1nc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c[nH]1 ZINC000681556073 544974647 /nfs/dbraw/zinc/97/46/47/544974647.db2.gz VZZIFTDQABLTOC-LURJTMIESA-N -1 0 304.328 -0.860 20 0 DBADRM CCc1nn(C)c(CC)c1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000681573687 544975719 /nfs/dbraw/zinc/97/57/19/544975719.db2.gz ZZKNYOQJKATMIV-VIFPVBQESA-N -1 0 305.356 -0.731 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)N(CCO)CCC(=O)[O-])c1 ZINC000681584999 544975875 /nfs/dbraw/zinc/97/58/75/544975875.db2.gz QHUDQTGBBPGWGS-UHFFFAOYSA-N -1 0 305.356 -0.078 20 0 DBADRM CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)C(=O)[O-])C2)no1 ZINC000274139493 544984470 /nfs/dbraw/zinc/98/44/70/544984470.db2.gz GPHZKGBCCAXWPF-VIFPVBQESA-N -1 0 310.310 -0.334 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000682525349 545000503 /nfs/dbraw/zinc/00/05/03/545000503.db2.gz QNSCACUPIRWWQM-QJPTWQEYSA-N -1 0 306.318 -0.169 20 0 DBADRM CN(CCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])O1)S(C)(=O)=O ZINC000682524123 545000514 /nfs/dbraw/zinc/00/05/14/545000514.db2.gz CCDHCYMWXSSXNF-RKDXNWHRSA-N -1 0 308.356 -0.984 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)O1 ZINC000682524291 545000690 /nfs/dbraw/zinc/00/06/90/545000690.db2.gz QJBZFVUZYARFOM-AXFHLTTASA-N -1 0 317.363 -0.203 20 0 DBADRM Cc1ccccc1C[C@H](CO)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000682541662 545001150 /nfs/dbraw/zinc/00/11/50/545001150.db2.gz NPGCIFIMLFHCIT-SNVBAGLBSA-N -1 0 304.306 -0.075 20 0 DBADRM O=C([O-])C1CC(C(=O)NCCS(=O)(=O)NCC2CCC2)C1 ZINC000682703572 545004580 /nfs/dbraw/zinc/00/45/80/545004580.db2.gz MYKODBDKIDYLAH-UHFFFAOYSA-N -1 0 318.395 -0.067 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)C2CC(C(=O)[O-])C2)C1 ZINC000682702056 545004721 /nfs/dbraw/zinc/00/47/21/545004721.db2.gz XWRFSSYAFCHRSO-UDNWOFFPSA-N -1 0 304.368 -0.363 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CO2 ZINC000682832888 545005901 /nfs/dbraw/zinc/00/59/01/545005901.db2.gz NOVJVVXPRDZRPB-UHFFFAOYSA-N -1 0 309.307 -0.053 20 0 DBADRM O=C(N[C@H](CO)Cc1ccc(F)cc1)c1n[nH]c(=O)[n-]c1=O ZINC000682992166 545007324 /nfs/dbraw/zinc/00/73/24/545007324.db2.gz XOVMPINUKLBSCR-VIFPVBQESA-N -1 0 308.269 -0.245 20 0 DBADRM CCN(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000683620350 545011866 /nfs/dbraw/zinc/01/18/66/545011866.db2.gz KXRNJYLVVMMMBB-NEPJUHHUSA-N -1 0 316.379 -0.171 20 0 DBADRM O=C(Cc1cc[nH]c(=O)c1Br)NCc1nnn[n-]1 ZINC000683619530 545012156 /nfs/dbraw/zinc/01/21/56/545012156.db2.gz DOXSMZJRCHMGLI-UHFFFAOYSA-N -1 0 313.115 -0.078 20 0 DBADRM CCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000683620562 545012168 /nfs/dbraw/zinc/01/21/68/545012168.db2.gz KXRNJYLVVMMMBB-NWDGAFQWSA-N -1 0 316.379 -0.171 20 0 DBADRM C[C@H]1CCCCN1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000683729233 545012745 /nfs/dbraw/zinc/01/27/45/545012745.db2.gz CZCHTZOPZPKBKJ-VIFPVBQESA-N -1 0 307.372 -0.714 20 0 DBADRM CC(C)c1nc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c[nH]1 ZINC000683729353 545012771 /nfs/dbraw/zinc/01/27/71/545012771.db2.gz JSHFVXZXPOEEKS-UHFFFAOYSA-N -1 0 318.355 -0.598 20 0 DBADRM O=C(CN1CCOCC1=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000684127813 545017659 /nfs/dbraw/zinc/01/76/59/545017659.db2.gz ODCTZXJRVRNEIX-CYBMUJFWSA-N -1 0 316.321 -0.736 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000684717472 545023278 /nfs/dbraw/zinc/02/32/78/545023278.db2.gz HERNCZBAIUZMJG-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM COC1(CNC(=O)N[C@@]2(C(=O)[O-])CCOC2)CCOCC1 ZINC000684738397 545023290 /nfs/dbraw/zinc/02/32/90/545023290.db2.gz ZECCLCBFIBOREY-ZDUSSCGKSA-N -1 0 302.327 -0.275 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)NCCCN(C)S(C)(=O)=O)C1CC1 ZINC000684721133 545023312 /nfs/dbraw/zinc/02/33/12/545023312.db2.gz NEMMFABGZQABJI-VIFPVBQESA-N -1 0 321.399 -0.085 20 0 DBADRM CN(CCCNC(=O)N(CC(=O)[O-])C1CCC1)S(C)(=O)=O ZINC000684721792 545023328 /nfs/dbraw/zinc/02/33/28/545023328.db2.gz UDHVVOBYKVALRH-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)NCc1nnnn1C1CC1 ZINC000684744019 545023606 /nfs/dbraw/zinc/02/36/06/545023606.db2.gz YWSRCMNNBSUPRV-VIFPVBQESA-N -1 0 312.330 -0.361 20 0 DBADRM Cc1nnnn1-c1cccc(NC(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000684746483 545023690 /nfs/dbraw/zinc/02/36/90/545023690.db2.gz VIUYZFZAZJPIMT-SNVBAGLBSA-N -1 0 306.282 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)N2CCOCC2)CC1(F)F ZINC000685208698 545028587 /nfs/dbraw/zinc/02/85/87/545028587.db2.gz RDKKVEBRBNURAH-QMMMGPOBSA-N -1 0 314.310 -0.395 20 0 DBADRM Cc1cccc(CCNC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)n1 ZINC000526918960 545033941 /nfs/dbraw/zinc/03/39/41/545033941.db2.gz SVJNPANPHOUJQS-GFCCVEGCSA-N -1 0 317.349 -0.122 20 0 DBADRM CN(CC(=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000036724392 545035967 /nfs/dbraw/zinc/03/59/67/545035967.db2.gz PHVVQJPGGOOBFU-UHFFFAOYSA-N -1 0 301.324 -0.440 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000037433325 545036110 /nfs/dbraw/zinc/03/61/10/545036110.db2.gz MTPGQWGIICWPLV-JTQLQIEISA-N -1 0 304.368 -0.266 20 0 DBADRM CC[C@@H](CO)N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000192023781 265668329 /nfs/dbraw/zinc/66/83/29/265668329.db2.gz BCPAXKJHIPKGHP-VIFPVBQESA-N -1 0 319.349 -0.228 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000231022635 265676062 /nfs/dbraw/zinc/67/60/62/265676062.db2.gz LCZCFIFDISIWHB-JTQLQIEISA-N -1 0 321.399 -0.226 20 0 DBADRM CC(C)NS(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417448589 265745003 /nfs/dbraw/zinc/74/50/03/265745003.db2.gz VHPCRXFBLCBVQK-UWVGGRQHSA-N -1 0 321.399 -0.471 20 0 DBADRM CC(C)NS(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417448588 265745748 /nfs/dbraw/zinc/74/57/48/265745748.db2.gz VHPCRXFBLCBVQK-NXEZZACHSA-N -1 0 321.399 -0.471 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)N(C)CCCC(=O)[O-] ZINC000420532779 265860914 /nfs/dbraw/zinc/86/09/14/265860914.db2.gz KLYBIIXXZPIXNC-UHFFFAOYSA-N -1 0 302.327 -0.233 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000420534620 265861004 /nfs/dbraw/zinc/86/10/04/265861004.db2.gz KDNOPJJOCKTHNK-GMTAPVOTSA-N -1 0 308.338 -0.433 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)NCCCC(=O)[O-])CC1=O ZINC000420563541 265861626 /nfs/dbraw/zinc/86/16/26/265861626.db2.gz ORQFMSBRWXHYJA-OPRDCNLKSA-N -1 0 311.338 -0.907 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422643573 265879240 /nfs/dbraw/zinc/87/92/40/265879240.db2.gz JFOBNAFCDAKUJI-WDEREUQCSA-N -1 0 308.290 -0.147 20 0 DBADRM COCCOCCNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000422726024 265880415 /nfs/dbraw/zinc/88/04/15/265880415.db2.gz YYVFCWTXJHXVNY-GHMZBOCLSA-N -1 0 316.354 -0.665 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000422769732 265880889 /nfs/dbraw/zinc/88/08/89/265880889.db2.gz PINBAECCTMTWTE-NXEZZACHSA-N -1 0 312.322 -0.669 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1=O ZINC000422841829 265882154 /nfs/dbraw/zinc/88/21/54/265882154.db2.gz DRHYFXZVWVQFJM-JTQLQIEISA-N -1 0 311.338 -1.000 20 0 DBADRM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000422842482 265882454 /nfs/dbraw/zinc/88/24/54/265882454.db2.gz YHQVQHHZZCCHIZ-TUAOUCFPSA-N -1 0 312.366 -0.071 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C[C@H]1OC ZINC000422853459 265882810 /nfs/dbraw/zinc/88/28/10/265882810.db2.gz BXNFFMXBUVJUFO-RULNRJAQSA-N -1 0 314.338 -0.818 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)[C@@H]1C ZINC000422923320 265883920 /nfs/dbraw/zinc/88/39/20/265883920.db2.gz RQWNQRDNIQUYBA-OPRDCNLKSA-N -1 0 312.322 -0.671 20 0 DBADRM CCCCCOCC(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424230823 265927108 /nfs/dbraw/zinc/92/71/08/265927108.db2.gz MMSCIYMFEJEBSL-SECBINFHSA-N -1 0 312.326 -0.014 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)CCS1(=O)=O ZINC000424234683 265927191 /nfs/dbraw/zinc/92/71/91/265927191.db2.gz FKNOMMFPWAOAPK-QMMMGPOBSA-N -1 0 306.727 -0.008 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424253735 265928792 /nfs/dbraw/zinc/92/87/92/265928792.db2.gz KWUFBALXQIUAQE-GXSJLCMTSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H]1C(=O)[O-] ZINC000424272333 265929966 /nfs/dbraw/zinc/92/99/66/265929966.db2.gz ZRVLUPRIXNFWGT-CABZTGNLSA-N -1 0 323.353 -0.308 20 0 DBADRM CC[C@@H](C)CS(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424367478 265930085 /nfs/dbraw/zinc/93/00/85/265930085.db2.gz MGPFPUNBEVUTBC-BDAKNGLRSA-N -1 0 313.397 -0.454 20 0 DBADRM CC(C)(C)CS(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424366055 265930475 /nfs/dbraw/zinc/93/04/75/265930475.db2.gz IHRGARHLQDPKPO-QMMMGPOBSA-N -1 0 313.397 -0.454 20 0 DBADRM CC1(C)COC[C@@H]1NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424400177 265931746 /nfs/dbraw/zinc/93/17/46/265931746.db2.gz SWCFSYOIAHYDOP-BDAKNGLRSA-N -1 0 320.367 -0.695 20 0 DBADRM CCOC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424444008 265933083 /nfs/dbraw/zinc/93/30/83/265933083.db2.gz CDOUXVOWRQRFNB-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(O)C1)C(=O)[O-] ZINC000424484991 265936523 /nfs/dbraw/zinc/93/65/23/265936523.db2.gz WILHOMRZWJTNDS-IINYFYTJSA-N -1 0 300.355 -0.167 20 0 DBADRM COc1ccc(NC(=O)C(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000430326474 266002517 /nfs/dbraw/zinc/00/25/17/266002517.db2.gz YUUUJVXYXFHQCX-UHFFFAOYSA-N -1 0 302.294 -0.048 20 0 DBADRM COc1ccc(C(=O)NCC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000431777731 266025397 /nfs/dbraw/zinc/02/53/97/266025397.db2.gz BVZVNYBPPWWQKY-HNNXBMFYSA-N -1 0 322.317 -0.215 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSCC(=O)[O-] ZINC000432121344 266026693 /nfs/dbraw/zinc/02/66/93/266026693.db2.gz FWWJRPRCUIGQKZ-RKDXNWHRSA-N -1 0 324.424 -0.219 20 0 DBADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CCN(CCO)CC1 ZINC000433832294 266044003 /nfs/dbraw/zinc/04/40/03/266044003.db2.gz IHZIDJRYZDPQPW-UHFFFAOYSA-N -1 0 318.333 -0.220 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436777556 266072763 /nfs/dbraw/zinc/07/27/63/266072763.db2.gz YWOLNAGTZWTTHV-UHFFFAOYSA-N -1 0 323.321 -0.204 20 0 DBADRM CCS(=O)(=O)N1CC(CNC(=O)CC(C)(C)C(=O)[O-])C1 ZINC000438860146 266083374 /nfs/dbraw/zinc/08/33/74/266083374.db2.gz FGQOAFJQPJORIH-UHFFFAOYSA-N -1 0 306.384 -0.115 20 0 DBADRM CCn1cc([N-]S(=O)(=O)CCOCCOC)c(C(N)=O)n1 ZINC000439244454 266089133 /nfs/dbraw/zinc/08/91/33/266089133.db2.gz GQWADANKVOLDJP-UHFFFAOYSA-N -1 0 320.371 -0.593 20 0 DBADRM C[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000439946637 266093890 /nfs/dbraw/zinc/09/38/90/266093890.db2.gz PUPDPHAJRFIFJY-MRVPVSSYSA-N -1 0 308.294 -0.848 20 0 DBADRM Cc1nn2c(SCc3ncnn3CCF)n[n-]c2nc1=O ZINC000440600949 266104979 /nfs/dbraw/zinc/10/49/79/266104979.db2.gz YQSXDWNJPWWLLD-UHFFFAOYSA-N -1 0 310.318 -0.026 20 0 DBADRM O=C1C[C@]2(CN1)CCCN(S(=O)(=O)[N-]CC(F)(F)F)C2 ZINC000443009212 266133126 /nfs/dbraw/zinc/13/31/26/266133126.db2.gz JOCZHMWHOOLWHH-VIFPVBQESA-N -1 0 315.317 -0.015 20 0 DBADRM CCC[C@](C)(NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000492121180 266152820 /nfs/dbraw/zinc/15/28/20/266152820.db2.gz WJFVYBPAGNPYOX-XHPSBEMXSA-N -1 0 323.349 -0.143 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000492120876 266152905 /nfs/dbraw/zinc/15/29/05/266152905.db2.gz VHGUBWGVSXKJEO-OYJMHYPKSA-N -1 0 323.349 -0.287 20 0 DBADRM Cn1cc(/C=C\C(=O)NCC(C)(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000492158582 266154595 /nfs/dbraw/zinc/15/45/95/266154595.db2.gz XAVDNMSZCIZKHM-WAYWQWQTSA-N -1 0 309.322 -0.676 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000492386363 266159750 /nfs/dbraw/zinc/15/97/50/266159750.db2.gz MIXMWACMOXOILD-NFBGWVBBSA-N -1 0 321.333 -0.533 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C\c1ccnn1C)[C@H](C)C(=O)[O-] ZINC000492527347 266162828 /nfs/dbraw/zinc/16/28/28/266162828.db2.gz DSBZIRVHRBRAET-UMCURTJPSA-N -1 0 308.338 -0.129 20 0 DBADRM COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)c2cnccn2)cn1 ZINC000492691660 266164508 /nfs/dbraw/zinc/16/45/08/266164508.db2.gz XOTAXKXUVCYLEN-IHWYPQMZSA-N -1 0 321.318 -0.207 20 0 DBADRM CCC(CC)(NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000493022982 266169219 /nfs/dbraw/zinc/16/92/19/266169219.db2.gz LEKGESRSOOVNRO-BQYQJAHWSA-N -1 0 323.349 -0.143 20 0 DBADRM COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cn1 ZINC000493113122 266169599 /nfs/dbraw/zinc/16/95/99/266169599.db2.gz FKAOLEMMWAUNKA-VMZHVLLKSA-N -1 0 313.335 -0.267 20 0 DBADRM O=C(/C=C/COCC(F)(F)F)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000493144919 266170212 /nfs/dbraw/zinc/17/02/12/266170212.db2.gz FPFUMVBKUJZCPS-CMLYIYFCSA-N -1 0 321.255 -0.116 20 0 DBADRM O=C(C=Cc1ccco1)NCCC(=O)NCCc1nc(=O)o[n-]1 ZINC000493194153 266171080 /nfs/dbraw/zinc/17/10/80/266171080.db2.gz GIKCSAQXVJSIME-ARJAWSKDSA-N -1 0 320.305 -0.166 20 0 DBADRM Cn1cc(/C=C/C(=O)NC2(CC(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000493263404 266173190 /nfs/dbraw/zinc/17/31/90/266173190.db2.gz UGFWDVVAPRFQKR-ONEGZZNKSA-N -1 0 307.306 -0.779 20 0 DBADRM O=C(/C=C/c1cccnc1)NCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000493378725 266174558 /nfs/dbraw/zinc/17/45/58/266174558.db2.gz CGPBLMCYKPMTBY-PCAWENJQSA-N -1 0 319.317 -0.477 20 0 DBADRM C/C=C/C[C@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000493436569 266175830 /nfs/dbraw/zinc/17/58/30/266175830.db2.gz UGGPCGXCGYVISL-NNNSNORXSA-N -1 0 321.333 -0.367 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2cscn2)CCS1(=O)=O ZINC000493656375 266178570 /nfs/dbraw/zinc/17/85/70/266178570.db2.gz HKLDMKNNZQSYCH-VWCDRPFISA-N -1 0 316.360 -0.134 20 0 DBADRM Cc1ccncc1/C=C\C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000493635835 266179347 /nfs/dbraw/zinc/17/93/47/266179347.db2.gz WPWGLMWTJAUMOE-ARJAWSKDSA-N -1 0 311.363 -0.015 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000493620511 266179511 /nfs/dbraw/zinc/17/95/11/266179511.db2.gz ORDNLXBYRMCKMY-GWQWAINWSA-N -1 0 319.317 -0.186 20 0 DBADRM CCOC(=O)NCCCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000493957645 266184094 /nfs/dbraw/zinc/18/40/94/266184094.db2.gz YIJXTZAJIXLJPN-UHFFFAOYSA-N -1 0 319.343 -0.327 20 0 DBADRM COC(=O)[C@@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)OC ZINC000494447993 266192842 /nfs/dbraw/zinc/19/28/42/266192842.db2.gz URGCTMGPVPRDPB-SNVBAGLBSA-N -1 0 305.290 -0.159 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CNC(=O)OC)nc1C ZINC000494659878 266195358 /nfs/dbraw/zinc/19/53/58/266195358.db2.gz SHYJZMSFFSSFIS-UHFFFAOYSA-N -1 0 304.328 -0.628 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000494711632 266196278 /nfs/dbraw/zinc/19/62/78/266196278.db2.gz OWJYYLIYQAHJGF-UHFFFAOYSA-N -1 0 302.327 -0.051 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)[N-]O[C@@H]1CCOC1 ZINC000495151774 266200623 /nfs/dbraw/zinc/20/06/23/266200623.db2.gz BRLSDPBVCOXJIS-SECBINFHSA-N -1 0 317.342 -0.536 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000495207154 266202006 /nfs/dbraw/zinc/20/20/06/266202006.db2.gz LMOATEYWQCKWLK-SECBINFHSA-N -1 0 308.356 -0.252 20 0 DBADRM CC(C)(C)OC(=O)NCCCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000495330081 266204711 /nfs/dbraw/zinc/20/47/11/266204711.db2.gz BQKYGTFSHHKXIH-UHFFFAOYSA-N -1 0 323.371 -0.777 20 0 DBADRM CC(C)(C)OC(=O)NCCN(CCO)Cc1n[nH]c(=O)[n-]1 ZINC000495411481 266205700 /nfs/dbraw/zinc/20/57/00/266205700.db2.gz DXEONXLRWIZERN-UHFFFAOYSA-N -1 0 301.347 -0.171 20 0 DBADRM CCOC(=O)N1CCC(S(=O)(=O)N2CC(C(=O)[O-])C2)CC1 ZINC000495486249 266207734 /nfs/dbraw/zinc/20/77/34/266207734.db2.gz FYPZSWGZGZGANJ-UHFFFAOYSA-N -1 0 320.367 -0.047 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CN(C)C(=O)OC ZINC000495590151 266210471 /nfs/dbraw/zinc/21/04/71/266210471.db2.gz RJIUHSWXGWHKEU-SFYZADRCSA-N -1 0 324.355 -0.672 20 0 DBADRM CCOC(=O)N1CCC(NC(=O)C(=O)[N-]OCCOC)CC1 ZINC000495664560 266212815 /nfs/dbraw/zinc/21/28/15/266212815.db2.gz MQHVVSFUKQKELD-UHFFFAOYSA-N -1 0 317.342 -0.582 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000495997166 266223612 /nfs/dbraw/zinc/22/36/12/266223612.db2.gz CFXFGRICNAQRMN-UHFFFAOYSA-N -1 0 324.355 -0.670 20 0 DBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1)C(C)C ZINC000496094699 266224404 /nfs/dbraw/zinc/22/44/04/266224404.db2.gz RDRMVIXMBUKPLR-ZJUUUORDSA-N -1 0 322.383 -0.008 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000496076842 266225352 /nfs/dbraw/zinc/22/53/52/266225352.db2.gz QWZWHBLHQXQEPG-DTWKUNHWSA-N -1 0 308.356 -0.397 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000496173995 266227592 /nfs/dbraw/zinc/22/75/92/266227592.db2.gz VVFGMDSSKWMNQN-UHFFFAOYSA-N -1 0 318.355 -0.498 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)OC)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000496148630 266227747 /nfs/dbraw/zinc/22/77/47/266227747.db2.gz DVQWKSWINIKVJG-AEJSXWLSSA-N -1 0 322.383 -0.008 20 0 DBADRM CCOC(=O)N1CC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000496264120 266231162 /nfs/dbraw/zinc/23/11/62/266231162.db2.gz NOWNBRSXZBZSCB-SECBINFHSA-N -1 0 315.326 -0.686 20 0 DBADRM C[C@H]1OC(=O)N[C@H]1C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000496366422 266234415 /nfs/dbraw/zinc/23/44/15/266234415.db2.gz XTKNUVDXZPIWIT-LDYMZIIASA-N -1 0 307.306 -0.265 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)[N-]OC(C)(C)CO)C1 ZINC000496431158 266236225 /nfs/dbraw/zinc/23/62/25/266236225.db2.gz FILBIVDZVAXWHQ-UHFFFAOYSA-N -1 0 304.343 -0.213 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000496786134 266244855 /nfs/dbraw/zinc/24/48/55/266244855.db2.gz PEDSXUFXOLSQRO-ZETCQYMHSA-N -1 0 304.328 -0.722 20 0 DBADRM COC(=O)NCCNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000496792533 266246133 /nfs/dbraw/zinc/24/61/33/266246133.db2.gz QKXSEHJHHIBRNY-UHFFFAOYSA-N -1 0 316.335 -0.052 20 0 DBADRM CCOC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)C1 ZINC000496918820 266249897 /nfs/dbraw/zinc/24/98/97/266249897.db2.gz GJHBPVNFEKCOMD-LPEHRKFASA-N -1 0 300.311 -0.034 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)CNC(=O)OC)ccc1[O-] ZINC000497003210 266252767 /nfs/dbraw/zinc/25/27/67/266252767.db2.gz XMKYUWAJGBEBCC-UHFFFAOYSA-N -1 0 317.323 -0.405 20 0 DBADRM COc1cccn2c1nn(CCCOC(=O)NC(N)=O)c2=O ZINC000497046677 266254447 /nfs/dbraw/zinc/25/44/47/266254447.db2.gz UTXIBQRSRBHCOR-UHFFFAOYSA-N -1 0 309.282 -0.300 20 0 DBADRM C[C@H](NS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])c1cnn(C)c1 ZINC000514600135 266261322 /nfs/dbraw/zinc/26/13/22/266261322.db2.gz LONUUMLSMFMFOJ-WCBMZHEXSA-N -1 0 302.356 -0.136 20 0 DBADRM Cn1nccc1[C@@H](NS(=O)(=O)CC[C@H]1CCOC1)C(=O)[O-] ZINC000514668777 266263726 /nfs/dbraw/zinc/26/37/26/266263726.db2.gz NBVTZAQJHOZWSU-MWLCHTKSSA-N -1 0 317.367 -0.108 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@H]1CCC[C@H]1C(=O)[O-] ZINC000514792843 266265061 /nfs/dbraw/zinc/26/50/61/266265061.db2.gz OIXXRMAZGQEUGV-IVZWLZJFSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000514862783 266266424 /nfs/dbraw/zinc/26/64/24/266266424.db2.gz HXVVLJRBAALZBB-FXBDTBDDSA-N -1 0 303.340 -0.357 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cnccc1C)C(=O)[O-] ZINC000514942177 266267730 /nfs/dbraw/zinc/26/77/30/266267730.db2.gz UGGFDZVBWUZDTR-MRVPVSSYSA-N -1 0 302.308 -0.315 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)NC[C@@H](CC(=O)[O-])OC ZINC000515081877 266269360 /nfs/dbraw/zinc/26/93/60/266269360.db2.gz KYDPBIQLAXFNKC-MRVPVSSYSA-N -1 0 311.356 -0.405 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cccc2c1OCC2)C(=O)[O-] ZINC000515411527 266271681 /nfs/dbraw/zinc/27/16/81/266271681.db2.gz BGQRFGFJWWNKTQ-XCBNKYQSSA-N -1 0 301.320 -0.266 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCCc1ccc2c(c1)OCO2 ZINC000515410662 266272140 /nfs/dbraw/zinc/27/21/40/266272140.db2.gz NFELKXRZIZGVGH-UHFFFAOYSA-N -1 0 308.290 -0.335 20 0 DBADRM O=C([O-])C[C@@H]1CN(S(=O)(=O)CC[C@H]2CCOC2)CCO1 ZINC000515643199 266273934 /nfs/dbraw/zinc/27/39/34/266273934.db2.gz FKBXOVWJCBDLHP-GHMZBOCLSA-N -1 0 307.368 -0.082 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000515995494 266276276 /nfs/dbraw/zinc/27/62/76/266276276.db2.gz DLZARDDFRRKVDR-UHFFFAOYSA-N -1 0 317.305 -0.186 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H](C(=O)[O-])C(C)C ZINC000516071204 266276940 /nfs/dbraw/zinc/27/69/40/266276940.db2.gz FZWOKEABGATPRN-NXEZZACHSA-N -1 0 306.384 -0.117 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)C[C@@H](C)CC(=O)[O-])CC1 ZINC000516314616 266280713 /nfs/dbraw/zinc/28/07/13/266280713.db2.gz BSKWNHUROKNKSH-SNVBAGLBSA-N -1 0 306.384 -0.019 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000516475877 266281981 /nfs/dbraw/zinc/28/19/81/266281981.db2.gz NFJXAYZAUIBZRV-LDXGIQPCSA-N -1 0 311.381 -0.989 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000516927149 266286618 /nfs/dbraw/zinc/28/66/18/266286618.db2.gz ZKJZVPYUWYSBBW-UHFFFAOYSA-N -1 0 305.294 -0.237 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCc2cnn(C)c2)C[C@@H]1C(=O)[O-] ZINC000517030204 266289478 /nfs/dbraw/zinc/28/94/78/266289478.db2.gz JRRRGLBUAOIDCJ-JQWIXIFHSA-N -1 0 322.365 -0.352 20 0 DBADRM CCS(=O)(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC000517151807 266291989 /nfs/dbraw/zinc/29/19/89/266291989.db2.gz HODVRVXEENHFGE-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM CC(C)Cc1nc(=NCCNS(=O)(=O)N(C)C)s[n-]1 ZINC000517261402 266292648 /nfs/dbraw/zinc/29/26/48/266292648.db2.gz MFBFUEDHTWSVTI-UHFFFAOYSA-N -1 0 307.445 -0.034 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)nc1)C(=O)[O-] ZINC000517378238 266293592 /nfs/dbraw/zinc/29/35/92/266293592.db2.gz ZGISWGYZPLUWTJ-SECBINFHSA-N -1 0 302.308 -0.315 20 0 DBADRM CN(C)S(=O)(=O)NC(C)(C)CC(=O)NC(C)(C)CC(=O)[O-] ZINC000517274969 266293773 /nfs/dbraw/zinc/29/37/73/266293773.db2.gz GPJOKNAJXMLAMS-UHFFFAOYSA-N -1 0 323.415 -0.079 20 0 DBADRM Cn1nccc1[C@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-] ZINC000517926424 266298375 /nfs/dbraw/zinc/29/83/75/266298375.db2.gz RLLLUAQURXCPMC-NSHDSACASA-N -1 0 317.367 -0.108 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2c[nH]cn2)C[C@@]12CCOC2 ZINC000518294065 266299557 /nfs/dbraw/zinc/29/95/57/266299557.db2.gz NMKRSENLMJDEDK-LDYMZIIASA-N -1 0 301.324 -0.479 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2c[nH]cn2)C[C@@]12CCOC2 ZINC000518294062 266299914 /nfs/dbraw/zinc/29/99/14/266299914.db2.gz NMKRSENLMJDEDK-GZMMTYOYSA-N -1 0 301.324 -0.479 20 0 DBADRM COCCCOC1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC000518765118 266302571 /nfs/dbraw/zinc/30/25/71/266302571.db2.gz KZUBHERAEOYTAG-NSHDSACASA-N -1 0 322.383 -0.483 20 0 DBADRM Cn1cc(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)cn1 ZINC000518765034 266303426 /nfs/dbraw/zinc/30/34/26/266303426.db2.gz IBXOMBWPQOASHG-UHFFFAOYSA-N -1 0 303.340 -0.326 20 0 DBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC[C@](C)(O)C(=O)[O-] ZINC000518978480 266305528 /nfs/dbraw/zinc/30/55/28/266305528.db2.gz VJRIAEJJCASDAA-AWEZNQCLSA-N -1 0 322.321 -0.454 20 0 DBADRM CCOCCO[C@H]1CCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000519401969 266307958 /nfs/dbraw/zinc/30/79/58/266307958.db2.gz RBPDXHBVLKLCNL-NSHDSACASA-N -1 0 316.354 -0.379 20 0 DBADRM COc1ccnc(N2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)n1 ZINC000519210546 266308606 /nfs/dbraw/zinc/30/86/06/266308606.db2.gz QFCRRUAUTPGVCG-UHFFFAOYSA-N -1 0 305.298 -0.729 20 0 DBADRM Cn1[n-]nnc1=NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000519353553 266308621 /nfs/dbraw/zinc/30/86/21/266308621.db2.gz QIKIVPMQVQVMNE-UHFFFAOYSA-N -1 0 302.386 -0.349 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000519523467 266309407 /nfs/dbraw/zinc/30/94/07/266309407.db2.gz IPDNNIYKBJCESU-MRVPVSSYSA-N -1 0 301.324 -0.554 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000519539443 266309987 /nfs/dbraw/zinc/30/99/87/266309987.db2.gz KBCIOFPEMSCTKK-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM COCC(=O)N(C)CC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000519649128 266312487 /nfs/dbraw/zinc/31/24/87/266312487.db2.gz KWKJWCQSVXHGME-SECBINFHSA-N -1 0 311.342 -0.679 20 0 DBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000519764462 266314708 /nfs/dbraw/zinc/31/47/08/266314708.db2.gz AVXDOZPOPXOAGP-NXEZZACHSA-N -1 0 317.367 -0.019 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)[C@H]2CCOC2)C1 ZINC000520797285 266321602 /nfs/dbraw/zinc/32/16/02/266321602.db2.gz CUVTXPVHTYDNBN-CMPLNLGQSA-N -1 0 307.368 -0.082 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000521872760 266329350 /nfs/dbraw/zinc/32/93/50/266329350.db2.gz DPGDXGNMECXTMF-OLZOCXBDSA-N -1 0 323.393 -0.234 20 0 DBADRM C[S@@](=O)CCCNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC000521997893 266332610 /nfs/dbraw/zinc/33/26/10/266332610.db2.gz ZAWDQHYURHAAKI-GOSISDBHSA-N -1 0 306.365 -0.173 20 0 DBADRM O=C(CNC(=O)c1n[nH]c(=O)[n-]1)N1CCc2ccccc2C1 ZINC000524003306 266340001 /nfs/dbraw/zinc/34/00/01/266340001.db2.gz DQCPFFYXEUQIFA-UHFFFAOYSA-N -1 0 301.306 -0.175 20 0 DBADRM CSc1nc(=O)n(CC(=O)N2CCC[C@H](NC(C)=O)C2)[n-]1 ZINC000526068502 266350679 /nfs/dbraw/zinc/35/06/79/266350679.db2.gz QUIQWZIGMBPPMS-VIFPVBQESA-N -1 0 313.383 -0.580 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](C(=O)[O-])c1scnc1C ZINC000526060857 266350830 /nfs/dbraw/zinc/35/08/30/266350830.db2.gz IBDOCCSJRXEVPL-QMMMGPOBSA-N -1 0 323.396 -0.010 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000528937855 266382214 /nfs/dbraw/zinc/38/22/14/266382214.db2.gz JQEZRAJADDRGSF-SECBINFHSA-N -1 0 302.356 -0.217 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000528937858 266382475 /nfs/dbraw/zinc/38/24/75/266382475.db2.gz JQEZRAJADDRGSF-VIFPVBQESA-N -1 0 302.356 -0.217 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000528992918 266382527 /nfs/dbraw/zinc/38/25/27/266382527.db2.gz FROVTLNQVYQXJU-JIOCBJNQSA-N -1 0 302.356 -0.321 20 0 DBADRM Cn1nc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c2ccccc21 ZINC000528958213 266382620 /nfs/dbraw/zinc/38/26/20/266382620.db2.gz BOIPANPVYNNKRJ-UHFFFAOYSA-N -1 0 324.362 -0.120 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cnn(C2CC2)c1 ZINC000528958884 266382698 /nfs/dbraw/zinc/38/26/98/266382698.db2.gz UAYIFXSTHHRIIF-UHFFFAOYSA-N -1 0 300.340 -0.475 20 0 DBADRM Cn1ccc(CC(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)n1 ZINC000529102929 266383599 /nfs/dbraw/zinc/38/35/99/266383599.db2.gz HWHHKMHFJWZXBZ-SNVBAGLBSA-N -1 0 301.368 -0.024 20 0 DBADRM O=C([O-])CCNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000529222280 266383758 /nfs/dbraw/zinc/38/37/58/266383758.db2.gz KEFYVWGTBLNOJQ-UHFFFAOYSA-N -1 0 305.356 -0.720 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)[C@@]2(C)CCC(=O)NC2)CO1 ZINC000529109678 266383805 /nfs/dbraw/zinc/38/38/05/266383805.db2.gz RCGRMIMROLDESO-RNCFNFMXSA-N -1 0 318.395 -0.084 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)CO1 ZINC000529107033 266384042 /nfs/dbraw/zinc/38/40/42/266384042.db2.gz JBTPGDHAQHXZHX-BDAKNGLRSA-N -1 0 304.368 -0.474 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)[C@@]2(C)CCC(=O)NC2)CO1 ZINC000529109682 266384099 /nfs/dbraw/zinc/38/40/99/266384099.db2.gz RCGRMIMROLDESO-ZANVPECISA-N -1 0 318.395 -0.084 20 0 DBADRM Cn1ccc(CC(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)n1 ZINC000529102928 266384261 /nfs/dbraw/zinc/38/42/61/266384261.db2.gz HWHHKMHFJWZXBZ-JTQLQIEISA-N -1 0 301.368 -0.024 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)CCn2ccnn2)CO1 ZINC000529114230 266384266 /nfs/dbraw/zinc/38/42/66/266384266.db2.gz QFXZBEDSCRMJSQ-SECBINFHSA-N -1 0 302.356 -0.318 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000529112397 266384301 /nfs/dbraw/zinc/38/43/01/266384301.db2.gz BAYHJSGKYVXTGA-QWRGUYRKSA-N -1 0 320.411 -0.279 20 0 DBADRM CC1(c2nc(=NC(=O)c3cnn(C[C@H](O)CO)c3)s[n-]2)CC1 ZINC000529700456 266393961 /nfs/dbraw/zinc/39/39/61/266393961.db2.gz GJFPDPGJJFSSGQ-VIFPVBQESA-N -1 0 323.378 -0.187 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOC(C)(C)C2)C[C@@H](C(=O)[O-])O1 ZINC000530150496 266405771 /nfs/dbraw/zinc/40/57/71/266405771.db2.gz MJJQGFVCYUTEOG-ZJUUUORDSA-N -1 0 322.383 -0.484 20 0 DBADRM CO[C@H]1CCCN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)C1 ZINC000530150334 266406055 /nfs/dbraw/zinc/40/60/55/266406055.db2.gz RJKMZBHVSWWOEO-QMMMGPOBSA-N -1 0 303.340 -0.082 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000530152526 266406061 /nfs/dbraw/zinc/40/60/61/266406061.db2.gz WVFGUDNJMCLSHL-LBPRGKRZSA-N -1 0 317.367 -0.099 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000530148422 266406168 /nfs/dbraw/zinc/40/61/68/266406168.db2.gz GDNOGKZMGQVWLS-FXBDTBDDSA-N -1 0 315.351 -0.036 20 0 DBADRM COC1CCN(C(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000530354363 266410617 /nfs/dbraw/zinc/41/06/17/266410617.db2.gz RPKDMPOTZQLCDO-JTQLQIEISA-N -1 0 313.354 -0.260 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CC[S@@](=O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000531887160 266431407 /nfs/dbraw/zinc/43/14/07/266431407.db2.gz CIRRVWIJNRUFIK-CGQWYARDSA-N -1 0 322.346 -0.005 20 0 DBADRM CC(C)(NC(=O)Cc1ccc(S(N)(=O)=O)s1)C(=O)[O-] ZINC000531999265 269567871 /nfs/dbraw/zinc/56/78/71/269567871.db2.gz UMAOWLWGOIWPHX-UHFFFAOYSA-N -1 0 306.365 -0.083 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000262552352 278095882 /nfs/dbraw/zinc/09/58/82/278095882.db2.gz XLDKGGMREOTLHL-GFCCVEGCSA-N -1 0 321.333 -0.777 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000262857926 278096241 /nfs/dbraw/zinc/09/62/41/278096241.db2.gz TUADEZDLABPMCR-HZMBPMFUSA-N -1 0 313.354 -0.612 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CSC(=O)N1)[C@H](C)C(=O)[O-] ZINC000262282810 278106205 /nfs/dbraw/zinc/10/62/05/278106205.db2.gz WYKDIBOLSAFLSC-SVRRBLITSA-N -1 0 303.340 -0.751 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)[C@@H]1CCOC1 ZINC000262396175 278113043 /nfs/dbraw/zinc/11/30/43/278113043.db2.gz JFYYPQDOYNSPFL-WCBMZHEXSA-N -1 0 308.356 -0.984 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)[C@@H]1CCOC1 ZINC000262396173 278113122 /nfs/dbraw/zinc/11/31/22/278113122.db2.gz JFYYPQDOYNSPFL-PSASIEDQSA-N -1 0 308.356 -0.984 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000365381728 278629610 /nfs/dbraw/zinc/62/96/10/278629610.db2.gz RIVWAIZDGHNAMB-VIFPVBQESA-N -1 0 322.331 -0.441 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000262196255 278633971 /nfs/dbraw/zinc/63/39/71/278633971.db2.gz VIANYUJWQPPXMY-UHFFFAOYSA-N -1 0 304.324 -0.078 20 0 DBADRM CC(C)CN1CCN(C(=O)c2cnc([O-])n(C)c2=O)[C@@H](C)C1=O ZINC000408379098 278893757 /nfs/dbraw/zinc/89/37/57/278893757.db2.gz YIPKBSPTABMAJJ-JTQLQIEISA-N -1 0 322.365 -0.185 20 0 DBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000420575503 279637772 /nfs/dbraw/zinc/63/77/72/279637772.db2.gz ZMYLFQDLWQXVKY-VHSXEESVSA-N -1 0 316.354 -0.131 20 0 DBADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC000262910960 280119237 /nfs/dbraw/zinc/11/92/37/280119237.db2.gz NEMJBRIRCBJAOA-GFCCVEGCSA-N -1 0 306.384 -0.163 20 0 DBADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC000450527380 280527821 /nfs/dbraw/zinc/52/78/21/280527821.db2.gz ZDSWXKWLXHFNDV-LBPRGKRZSA-N -1 0 306.384 -0.163 20 0 DBADRM CC[C@](C)(NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-] ZINC000262372854 288394666 /nfs/dbraw/zinc/39/46/66/288394666.db2.gz BEEBOLBSZZKBHB-ZDUSSCGKSA-N -1 0 301.343 -0.612 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCS(C)(=O)=O ZINC000215513796 288430866 /nfs/dbraw/zinc/43/08/66/288430866.db2.gz VZRUYNMDBKCHFY-SNVBAGLBSA-N -1 0 313.397 -0.310 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NC2(CC(=O)[O-])CCC2)nn1 ZINC000262508005 288972540 /nfs/dbraw/zinc/97/25/40/288972540.db2.gz JPVUHUMBQUUZSC-UHFFFAOYSA-N -1 0 309.326 -0.507 20 0 DBADRM CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)C(=O)[O-])C2 ZINC000290456994 289267951 /nfs/dbraw/zinc/26/79/51/289267951.db2.gz IYSSOIOMZATUQA-UHFFFAOYSA-N -1 0 312.347 -0.094 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1CCCCS1(=O)=O ZINC000262864444 292940678 /nfs/dbraw/zinc/94/06/78/292940678.db2.gz DTCYPJRJIZAQJI-JOYOIKCWSA-N -1 0 307.368 -0.050 20 0 DBADRM COCc1nc(=NC(=O)CN(C)CC(=O)NC(C)C)s[n-]1 ZINC000355919354 293327474 /nfs/dbraw/zinc/32/74/74/293327474.db2.gz DOQIJQSRQDPFQQ-UHFFFAOYSA-N -1 0 315.399 -0.499 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC000251568571 297052167 /nfs/dbraw/zinc/05/21/67/297052167.db2.gz DFFFCJIRESEUTD-AEJSXWLSSA-N -1 0 308.356 -0.874 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c(C)c1 ZINC000274907367 295200314 /nfs/dbraw/zinc/20/03/14/295200314.db2.gz JORJNUUOLONWBB-SECBINFHSA-N -1 0 316.335 -0.389 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H](O)c1ccccc1 ZINC000282294268 295524547 /nfs/dbraw/zinc/52/45/47/295524547.db2.gz RWSNBWAKYFTZSL-NSHDSACASA-N -1 0 300.336 -0.698 20 0 DBADRM C[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)C(N)=O ZINC000263419115 299034136 /nfs/dbraw/zinc/03/41/36/299034136.db2.gz KRSBKEATMKXXDM-KWQFWETISA-N -1 0 304.306 -0.304 20 0 DBADRM C[C@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC(=O)N1C ZINC000282320970 300206768 /nfs/dbraw/zinc/20/67/68/300206768.db2.gz JSVQTVJIYFHTAH-ZETCQYMHSA-N -1 0 317.305 -0.261 20 0 DBADRM C[C@](O)(CNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)[O-] ZINC000349051657 300737564 /nfs/dbraw/zinc/73/75/64/300737564.db2.gz VXHMLUDERRWTLC-FZNYLWTLSA-N -1 0 312.322 -0.887 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000090276333 300738614 /nfs/dbraw/zinc/73/86/14/300738614.db2.gz ICKLCCWPYUYZPK-LDWIPMOCSA-N -1 0 312.244 -0.651 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1C(=O)Cn1nc2ccccn2c1=O ZINC000262312601 300778366 /nfs/dbraw/zinc/77/83/66/300778366.db2.gz PYQLMSACUVZELU-CQSZACIVSA-N -1 0 304.306 -0.038 20 0 DBADRM Cc1nn2c(SC[C@H](C)CS(C)(=O)=O)n[n-]c2nc1=O ZINC000342078147 302807245 /nfs/dbraw/zinc/80/72/45/302807245.db2.gz RMMCSBCPPKJUKH-LURJTMIESA-N -1 0 317.396 -0.106 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)C(=O)[O-] ZINC000036983445 303247266 /nfs/dbraw/zinc/24/72/66/303247266.db2.gz KIWLOJKGSJIODY-SNVBAGLBSA-N -1 0 318.326 -0.036 20 0 DBADRM NC(=O)Cn1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])nn1 ZINC000262385833 303262596 /nfs/dbraw/zinc/26/25/96/303262596.db2.gz MBNABXCAWSNZDS-IEBDPFPHSA-N -1 0 321.337 -0.379 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)C2CCCCC2)O1 ZINC000408117601 303303949 /nfs/dbraw/zinc/30/39/49/303303949.db2.gz FJCZLNOLIYVRDH-VHSXEESVSA-N -1 0 304.368 -0.202 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)[N-]CC(F)(F)F ZINC000369617206 303320212 /nfs/dbraw/zinc/32/02/12/303320212.db2.gz MKVJOZAWPLPOKJ-RNJXMRFFSA-N -1 0 315.317 -0.031 20 0 DBADRM NC(=O)[C@H]1CCCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000338414091 303326462 /nfs/dbraw/zinc/32/64/62/303326462.db2.gz XXOCGVPVZYMNIF-SECBINFHSA-N -1 0 317.305 -0.084 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CCCCN1C(=O)[C@H]1CCCO1 ZINC000359801511 303814145 /nfs/dbraw/zinc/81/41/45/303814145.db2.gz LGYYRELCVNMWOC-NXEZZACHSA-N -1 0 323.353 -0.313 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)CCNS(=O)(=O)c1cccnc1 ZINC000427756961 533696779 /nfs/dbraw/zinc/69/67/79/533696779.db2.gz HPEBETLCCSJTJL-SECBINFHSA-N -1 0 315.351 -0.271 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000570519291 332768335 /nfs/dbraw/zinc/76/83/35/332768335.db2.gz TWAOIIOFEZMNCS-WDSKDSINSA-N -1 0 320.289 -0.212 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCCS1(=O)=O)[C@H](C)C(=O)[O-] ZINC000570527263 332768677 /nfs/dbraw/zinc/76/86/77/332768677.db2.gz KFFFOAQUYHLERF-PSASIEDQSA-N -1 0 320.367 -0.999 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1C ZINC000570582601 332776908 /nfs/dbraw/zinc/77/69/08/332776908.db2.gz BEQDGVMFUDXQOV-SNVBAGLBSA-N -1 0 317.319 -0.495 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCn3nncc3C2)cc1C(=O)[O-] ZINC000570642317 332789428 /nfs/dbraw/zinc/78/94/28/332789428.db2.gz IXQJNNSNFWODIG-UHFFFAOYSA-N -1 0 311.323 -0.481 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000570771820 332812999 /nfs/dbraw/zinc/81/29/99/332812999.db2.gz AUISDTGSDLSIHQ-GXSJLCMTSA-N -1 0 323.367 -0.573 20 0 DBADRM CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)CC2 ZINC000584052966 331655900 /nfs/dbraw/zinc/65/59/00/331655900.db2.gz ONRWXSLDHKIRFC-LPEHRKFASA-N -1 0 308.338 -0.096 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC(=O)N1 ZINC000584107407 331741943 /nfs/dbraw/zinc/74/19/43/331741943.db2.gz XKKNJDNLCMKKHP-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCOC[C@]12CCOC2 ZINC000584229766 331872241 /nfs/dbraw/zinc/87/22/41/331872241.db2.gz QARJKNZVMCKMRU-LLVKDONJSA-N -1 0 317.323 -0.712 20 0 DBADRM C[C@@H]1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C(=O)[O-] ZINC000566181190 332023998 /nfs/dbraw/zinc/02/39/98/332023998.db2.gz HXOCOLBSDUECPE-BBBLOLIVSA-N -1 0 304.368 -0.074 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N[C@@H](COC)C(=O)[O-] ZINC000566185135 332025408 /nfs/dbraw/zinc/02/54/08/332025408.db2.gz YOUKGSYQZUKJKW-QMMMGPOBSA-N -1 0 304.324 -0.142 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000569457141 332090080 /nfs/dbraw/zinc/09/00/80/332090080.db2.gz SLHKXKCVIWTCGU-VIFPVBQESA-N -1 0 311.338 -0.715 20 0 DBADRM C[C@H]1CN(CCO)CCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000569471255 332098750 /nfs/dbraw/zinc/09/87/50/332098750.db2.gz IVFNHRICRRUANG-QMMMGPOBSA-N -1 0 305.322 -0.619 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000569489611 332101691 /nfs/dbraw/zinc/10/16/91/332101691.db2.gz MQZCGKSMVNRDMB-ZCFIWIBFSA-N -1 0 320.289 -0.258 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-] ZINC000569598864 332192074 /nfs/dbraw/zinc/19/20/74/332192074.db2.gz CPPRGJJCXHWHIT-NSHDSACASA-N -1 0 304.324 -0.142 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000569607403 332199398 /nfs/dbraw/zinc/19/93/98/332199398.db2.gz OXELGFVEBZDGBT-SECBINFHSA-N -1 0 312.326 -0.470 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)CCc1cccs1)C(=O)[O-] ZINC000569608846 332200238 /nfs/dbraw/zinc/20/02/38/332200238.db2.gz HKJOWOVMKSBRKX-SECBINFHSA-N -1 0 320.392 -0.071 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)OC ZINC000566242657 332275962 /nfs/dbraw/zinc/27/59/62/332275962.db2.gz OWCDKHQDUQWKFN-VWYCJHECSA-N -1 0 316.354 -0.667 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)CCCC(=O)[O-] ZINC000577369621 332278205 /nfs/dbraw/zinc/27/82/05/332278205.db2.gz IXBQOZXQMQOION-QMMMGPOBSA-N -1 0 301.386 -0.406 20 0 DBADRM CCN1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1=O ZINC000583375347 332370599 /nfs/dbraw/zinc/37/05/99/332370599.db2.gz RBZJUTKZMSCGPH-UHFFFAOYSA-N -1 0 319.317 -0.100 20 0 DBADRM CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)NC1CC1)C(=O)[O-] ZINC000159651853 332684526 /nfs/dbraw/zinc/68/45/26/332684526.db2.gz ZNHIDWGUQNSTRN-QMMMGPOBSA-N -1 0 308.356 -0.242 20 0 DBADRM COC[C@](C)(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC000569841009 332684799 /nfs/dbraw/zinc/68/47/99/332684799.db2.gz MJPAYIHHRDIERE-NSHDSACASA-N -1 0 310.372 -0.579 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCc2cnn(C)c2)C[C@H]1C(=O)[O-] ZINC000569847135 332684932 /nfs/dbraw/zinc/68/49/32/332684932.db2.gz CLQHQJPOOUGCMY-GXSJLCMTSA-N -1 0 308.338 -0.395 20 0 DBADRM O=C([O-])CN(C1CCOCC1)S(=O)(=O)N1CCOCC1 ZINC000570042833 332705937 /nfs/dbraw/zinc/70/59/37/332705937.db2.gz OMZPPUIZKXSEJG-UHFFFAOYSA-N -1 0 308.356 -0.871 20 0 DBADRM O=C([O-])CCN(C1CCOCC1)S(=O)(=O)N1CCOCC1 ZINC000570329052 332741268 /nfs/dbraw/zinc/74/12/68/332741268.db2.gz IUNGOMKWNWAUQG-UHFFFAOYSA-N -1 0 322.383 -0.481 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000570393999 332749674 /nfs/dbraw/zinc/74/96/74/332749674.db2.gz ZFTAYNXPBRXSSQ-ONYJAPRBSA-N -1 0 324.424 -0.379 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC000580216442 333016077 /nfs/dbraw/zinc/01/60/77/333016077.db2.gz YFMIVQOKHQVFPV-IUCAKERBSA-N -1 0 307.393 -0.018 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)CCOC(F)(F)F)C(=O)[O-] ZINC000580254882 333042051 /nfs/dbraw/zinc/04/20/51/333042051.db2.gz JQXXMYYPFILCQZ-YFKPBYRVSA-N -1 0 323.245 -0.542 20 0 DBADRM COCCOCCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC000580308799 333090544 /nfs/dbraw/zinc/09/05/44/333090544.db2.gz YILOXZDLRGPPLU-UHFFFAOYSA-N -1 0 304.324 -0.279 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@H]2COCCO2)c1 ZINC000580311680 333094632 /nfs/dbraw/zinc/09/46/32/333094632.db2.gz NKTVAZGGLMYRNL-NSHDSACASA-N -1 0 308.290 -0.145 20 0 DBADRM Cc1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cn1 ZINC000582061099 333194503 /nfs/dbraw/zinc/19/45/03/333194503.db2.gz YTIJRNHLQNEYPQ-UHFFFAOYSA-N -1 0 311.323 -0.455 20 0 DBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000582065679 333197133 /nfs/dbraw/zinc/19/71/33/333197133.db2.gz AXDFDWJCYADJKQ-IUCAKERBSA-N -1 0 310.372 -0.786 20 0 DBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000582065677 333197140 /nfs/dbraw/zinc/19/71/40/333197140.db2.gz AXDFDWJCYADJKQ-BDAKNGLRSA-N -1 0 310.372 -0.786 20 0 DBADRM Cc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1C(N)=O ZINC000388527647 333321462 /nfs/dbraw/zinc/32/14/62/333321462.db2.gz YJKPNBAYBSEHIC-UHFFFAOYSA-N -1 0 316.335 -0.838 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@](C)(COC)C(=O)[O-])nc1C ZINC000380982192 333394273 /nfs/dbraw/zinc/39/42/73/333394273.db2.gz ASDDPFVJMJTHCF-NSHDSACASA-N -1 0 305.356 -0.021 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CF)C2)C[C@@H]1C(=O)[O-] ZINC000567875322 333395860 /nfs/dbraw/zinc/39/58/60/333395860.db2.gz BYYQORYIVSLHDA-MXWKQRLJSA-N -1 0 316.329 -0.248 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000571047486 333491585 /nfs/dbraw/zinc/49/15/85/333491585.db2.gz VJNOVDTXJRGYLW-UWVGGRQHSA-N -1 0 306.384 -0.165 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)CCCC(=O)[O-] ZINC000571281305 333695061 /nfs/dbraw/zinc/69/50/61/333695061.db2.gz PRTRMJPZJJQZKL-RKDXNWHRSA-N -1 0 315.413 -0.066 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC000571516861 333813209 /nfs/dbraw/zinc/81/32/09/333813209.db2.gz SRIVEDKXQHKFIP-LLVKDONJSA-N -1 0 303.340 -0.359 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000571562632 333816215 /nfs/dbraw/zinc/81/62/15/333816215.db2.gz RSLBVYWPKVAVAB-JQWIXIFHSA-N -1 0 322.365 -0.123 20 0 DBADRM CO[C@@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C[C@H]1O ZINC000571631817 333863485 /nfs/dbraw/zinc/86/34/85/333863485.db2.gz OGZKEUYBDOCJJI-GHMZBOCLSA-N -1 0 311.363 -0.300 20 0 DBADRM O=C([O-])CNC(=O)Cn1cc(I)cn1 ZINC000583625714 335970944 /nfs/dbraw/zinc/97/09/44/335970944.db2.gz HBGDBDLXDUTZCX-UHFFFAOYSA-N -1 0 309.063 -0.312 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000019232143 336018993 /nfs/dbraw/zinc/01/89/93/336018993.db2.gz VVKSBNFUMCJJHV-ZETCQYMHSA-N -1 0 324.698 -0.028 20 0 DBADRM COCCOC1CN(S(=O)(=O)c2cccnc2C(=O)[O-])C1 ZINC000582239275 336390355 /nfs/dbraw/zinc/39/03/55/336390355.db2.gz WAQZEWYTPLTBOI-UHFFFAOYSA-N -1 0 316.335 -0.184 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-] ZINC000582274969 336869743 /nfs/dbraw/zinc/86/97/43/336869743.db2.gz LJOVLXYGFDGHIF-SECBINFHSA-N -1 0 305.356 -0.021 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)Nc2ccc3c(c2)C(=O)NC3=O)CCOC1 ZINC000390923707 336949359 /nfs/dbraw/zinc/94/93/59/336949359.db2.gz BMNGIPOGHHKCFI-CQSZACIVSA-N -1 0 319.273 -0.065 20 0 DBADRM C[C@@H]1CN(C(=O)CCN2CCCS2(=O)=O)C[C@@]1(C)C(=O)[O-] ZINC000582423351 336971652 /nfs/dbraw/zinc/97/16/52/336971652.db2.gz SVVTYZPCWXFSCR-ZWNOBZJWSA-N -1 0 318.395 -0.019 20 0 DBADRM CC1CCN(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])CC1 ZINC000019988476 337085862 /nfs/dbraw/zinc/08/58/62/337085862.db2.gz PGOLDSWSTWNHGA-SECBINFHSA-N -1 0 307.372 -0.729 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)CCC2CCOCC2)CCOC1 ZINC000582941688 337220205 /nfs/dbraw/zinc/22/02/05/337220205.db2.gz BSZNUBZHJQNUSP-GFCCVEGCSA-N -1 0 307.368 -0.034 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-] ZINC000583020325 337225755 /nfs/dbraw/zinc/22/57/55/337225755.db2.gz UUKBVTHEPDKJPE-VIFPVBQESA-N -1 0 309.340 -0.651 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000583025113 337226785 /nfs/dbraw/zinc/22/67/85/337226785.db2.gz UDVHFAIHYXOIQL-SECBINFHSA-N -1 0 311.338 -0.114 20 0 DBADRM O=C(N[C@@H]1COC[C@H]1O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000583068213 337235375 /nfs/dbraw/zinc/23/53/75/337235375.db2.gz JULQCOHEPAQBOK-YRGRVCCFSA-N -1 0 320.345 -0.127 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N(C)[C@@H](C)CC(=O)[O-] ZINC000583095991 337240568 /nfs/dbraw/zinc/24/05/68/337240568.db2.gz XQTUQIDJCTXMLC-VIFPVBQESA-N -1 0 310.372 -0.736 20 0 DBADRM C[S@](=O)CCCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC000583142479 337244957 /nfs/dbraw/zinc/24/49/57/337244957.db2.gz YTYGGCKUSOKKKU-SFHVURJKSA-N -1 0 306.365 -0.173 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000583138565 337248370 /nfs/dbraw/zinc/24/83/70/337248370.db2.gz AEMIKUGDFSXWFR-CMPLNLGQSA-N -1 0 307.368 -0.224 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CCC1 ZINC000583188467 337262351 /nfs/dbraw/zinc/26/23/51/337262351.db2.gz MFSAMYKRYQRTJI-VIFPVBQESA-N -1 0 321.351 -0.555 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1)C1CC1 ZINC000583202207 337268802 /nfs/dbraw/zinc/26/88/02/337268802.db2.gz SWVQYIHLTBTZHU-QWRGUYRKSA-N -1 0 307.368 -0.083 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])C2CCC2)cc1C(N)=O ZINC000399233126 337314495 /nfs/dbraw/zinc/31/44/95/337314495.db2.gz BHAPULSAMRYKPI-JTQLQIEISA-N -1 0 315.351 -0.344 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCC2)cc1C(N)=O ZINC000399233127 337314563 /nfs/dbraw/zinc/31/45/63/337314563.db2.gz BHAPULSAMRYKPI-SNVBAGLBSA-N -1 0 315.351 -0.344 20 0 DBADRM CC1CCN(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])CC1 ZINC000021012874 337333415 /nfs/dbraw/zinc/33/34/15/337333415.db2.gz CFRAORNTEQBQOZ-LLVKDONJSA-N -1 0 316.383 -0.028 20 0 DBADRM CC[C@@H](NC(=O)CSCC(=O)N1CCOCC1)C(=O)[O-] ZINC000035409122 337343341 /nfs/dbraw/zinc/34/33/41/337343341.db2.gz PNFKZFBRYCSJPU-SECBINFHSA-N -1 0 304.368 -0.442 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C1 ZINC000035410770 337343426 /nfs/dbraw/zinc/34/34/26/337343426.db2.gz GRBZGRXJGPVSLK-UWVGGRQHSA-N -1 0 322.383 -0.041 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000584472538 337345707 /nfs/dbraw/zinc/34/57/07/337345707.db2.gz SYWJVQBEKSYWPV-CQSZACIVSA-N -1 0 311.338 -0.066 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)C[C@H]1CCCCO1 ZINC000584509100 337351695 /nfs/dbraw/zinc/35/16/95/337351695.db2.gz OKIXDWKUQYEJTR-SECBINFHSA-N -1 0 308.356 -0.934 20 0 DBADRM CCn1cnc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)c1 ZINC000584540669 337359620 /nfs/dbraw/zinc/35/96/20/337359620.db2.gz HQZRMVFVNZQBJM-GXSJLCMTSA-N -1 0 317.367 -0.251 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000036967870 337361389 /nfs/dbraw/zinc/36/13/89/337361389.db2.gz YWIZOMBNZSAEJF-QMMMGPOBSA-N -1 0 308.262 -0.428 20 0 DBADRM O=C([O-])[C@H](NC(=O)NCCCn1ccnn1)[C@@H]1CCCOC1 ZINC000572198108 337596389 /nfs/dbraw/zinc/59/63/89/337596389.db2.gz NFCLWUZVJCVWRY-GHMZBOCLSA-N -1 0 311.342 -0.153 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-])cn1 ZINC000572400043 337632066 /nfs/dbraw/zinc/63/20/66/337632066.db2.gz MVBMSZIRMFDYBJ-DTWKUNHWSA-N -1 0 305.356 -0.083 20 0 DBADRM CC[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)CCC(=O)OC ZINC000572481729 338209357 /nfs/dbraw/zinc/20/93/57/338209357.db2.gz BSJIJUHTPZHCDM-VIFPVBQESA-N -1 0 310.372 -0.041 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000311583183 341400079 /nfs/dbraw/zinc/40/00/79/341400079.db2.gz DFMDSFFOONJZNM-LURJTMIESA-N -1 0 303.283 -0.033 20 0 DBADRM CCN(CC)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000566047063 341546339 /nfs/dbraw/zinc/54/63/39/341546339.db2.gz WLSLZYVOBMLLQN-CMPLNLGQSA-N -1 0 306.384 -0.004 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000566223857 341551136 /nfs/dbraw/zinc/55/11/36/341551136.db2.gz YUWGYJGFKCHMFX-HLTSFMKQSA-N -1 0 304.368 -0.507 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000566222685 341551174 /nfs/dbraw/zinc/55/11/74/341551174.db2.gz GUGGFSKVDJSDHX-DTWKUNHWSA-N -1 0 306.384 -0.213 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCc2ccn(C)n2)C[C@H]1C(=O)[O-] ZINC000566243005 341551673 /nfs/dbraw/zinc/55/16/73/341551673.db2.gz QKWZBTBXXJLUGB-CMPLNLGQSA-N -1 0 322.365 -0.352 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCCn2ccnc2)C[C@H]1C(=O)[O-] ZINC000566243276 341551697 /nfs/dbraw/zinc/55/16/97/341551697.db2.gz SGEQSMHPYWOURM-VXGBXAGGSA-N -1 0 322.365 -0.041 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC000566240595 341551725 /nfs/dbraw/zinc/55/17/25/341551725.db2.gz HXAATTDLUOXTDM-KHQFGBGNSA-N -1 0 303.340 -0.329 20 0 DBADRM CS(=O)(=O)NCCNC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000566287795 341553128 /nfs/dbraw/zinc/55/31/28/341553128.db2.gz PURCHNMSAMXNKB-UHFFFAOYSA-N -1 0 306.384 -0.067 20 0 DBADRM NC(=O)COCCNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000566316932 341553885 /nfs/dbraw/zinc/55/38/85/341553885.db2.gz TWVRZLIREHCBEG-UHFFFAOYSA-N -1 0 316.335 -0.906 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)C3(C(=O)[O-])CC3)C2=O)n(C)n1 ZINC000566680916 341565082 /nfs/dbraw/zinc/56/50/82/341565082.db2.gz CMGGCKDDZBMBAC-VIFPVBQESA-N -1 0 306.322 -0.185 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC(CCCO)CC1 ZINC000566915634 341571587 /nfs/dbraw/zinc/57/15/87/341571587.db2.gz KNQJSGVWJULHLG-UHFFFAOYSA-N -1 0 300.355 -0.022 20 0 DBADRM O=C(c1ccc2nnnn2c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000567051073 341576973 /nfs/dbraw/zinc/57/69/73/341576973.db2.gz DGKHEJKZLNYISB-QMMMGPOBSA-N -1 0 314.309 -0.032 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(C)nc1)C(=O)[O-] ZINC000567114759 341580993 /nfs/dbraw/zinc/58/09/93/341580993.db2.gz ZGISWGYZPLUWTJ-VIFPVBQESA-N -1 0 302.308 -0.315 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCc2cnccn2)C[C@@H]1C(=O)[O-] ZINC000567886774 341638579 /nfs/dbraw/zinc/63/85/79/341638579.db2.gz WJVXGVISBCBZFN-JQWIXIFHSA-N -1 0 320.349 -0.296 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000158590393 341659841 /nfs/dbraw/zinc/65/98/41/341659841.db2.gz UUTPRFBDGQVNSJ-SECBINFHSA-N -1 0 317.319 -0.164 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000158610423 341660287 /nfs/dbraw/zinc/66/02/87/341660287.db2.gz XSTUCLFXLPVZOI-SNVBAGLBSA-N -1 0 314.319 -0.441 20 0 DBADRM CCNC(=O)N1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC000568273589 341662860 /nfs/dbraw/zinc/66/28/60/341662860.db2.gz HAYNWRSTYYJJTA-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM O=C([O-])[C@H](CF)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000568624124 341676648 /nfs/dbraw/zinc/67/66/48/341676648.db2.gz CQOFEYMHOZSRGO-APPZFPTMSA-N -1 0 307.303 -0.455 20 0 DBADRM CNS(=O)(=O)c1ccc(N2CCO[C@@H](C(=O)[O-])C2)nc1 ZINC000568637502 341677172 /nfs/dbraw/zinc/67/71/72/341677172.db2.gz QAGDSKNOFUXZAO-SECBINFHSA-N -1 0 301.324 -0.721 20 0 DBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)NCCCC(=O)[O-] ZINC000569220122 341694417 /nfs/dbraw/zinc/69/44/17/341694417.db2.gz MSAQHYCYQDDNNW-QWRGUYRKSA-N -1 0 304.343 -0.029 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000572846320 341706410 /nfs/dbraw/zinc/70/64/10/341706410.db2.gz WNGMKXPETZAVKW-NSHDSACASA-N -1 0 315.347 -0.471 20 0 DBADRM COC(=O)C1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC000572961673 341711295 /nfs/dbraw/zinc/71/12/95/341711295.db2.gz RMLILVWCMFSFPO-UHFFFAOYSA-N -1 0 300.311 -0.621 20 0 DBADRM CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000573689350 341736072 /nfs/dbraw/zinc/73/60/72/341736072.db2.gz QFQRVCULHZLCIJ-IVZWLZJFSA-N -1 0 306.384 -0.022 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C(=O)[O-])cn1C ZINC000574158374 341750380 /nfs/dbraw/zinc/75/03/80/341750380.db2.gz NUBULUCMKRLGJK-DKCNOQQISA-N -1 0 317.367 -0.020 20 0 DBADRM Cc1csc2ncc(C(=O)NC[C@@](C)(O)C(=O)[O-])c(=O)n12 ZINC000574204406 341751805 /nfs/dbraw/zinc/75/18/05/341751805.db2.gz FEYVMJKDCXQGRL-GFCCVEGCSA-N -1 0 311.319 -0.370 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)[C@@H]1CO ZINC000574400116 341757537 /nfs/dbraw/zinc/75/75/37/341757537.db2.gz MZEHDJILCKPBHL-NOOOWODRSA-N -1 0 312.366 -0.215 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000575181043 341783901 /nfs/dbraw/zinc/78/39/01/341783901.db2.gz MQXKCZLMLZVOJV-NWDGAFQWSA-N -1 0 310.350 -0.029 20 0 DBADRM C[C@H]1OCCN(S(=O)(=O)N2CCOC(C)(C)C2)[C@@H]1C(=O)[O-] ZINC000576297747 341839081 /nfs/dbraw/zinc/83/90/81/341839081.db2.gz DHEDOYFKQFTUJQ-ZJUUUORDSA-N -1 0 322.383 -0.484 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1ncn(C)n1 ZINC000576346024 341841667 /nfs/dbraw/zinc/84/16/67/341841667.db2.gz DDSLYYSPSCTYOM-KXUCPTDWSA-N -1 0 323.353 -0.439 20 0 DBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC000576647945 341856888 /nfs/dbraw/zinc/85/68/88/341856888.db2.gz JSABCIJYKINSLE-OPRDCNLKSA-N -1 0 305.352 -0.346 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CCO1 ZINC000576701127 341859118 /nfs/dbraw/zinc/85/91/18/341859118.db2.gz YWPQNQVYNCRYFK-JTQLQIEISA-N -1 0 316.335 -0.184 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C(=O)[O-] ZINC000576823479 341864866 /nfs/dbraw/zinc/86/48/66/341864866.db2.gz KTSWGXHTIZUKPY-UTINFBMNSA-N -1 0 323.367 -0.312 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2CCO[C@@H](CO)C2)c1 ZINC000576822676 341864912 /nfs/dbraw/zinc/86/49/12/341864912.db2.gz HGHZITJNCBYOAW-LLVKDONJSA-N -1 0 308.290 -0.457 20 0 DBADRM Cc1oc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000577060191 341882296 /nfs/dbraw/zinc/88/22/96/341882296.db2.gz LOBXRUIPMFNHIN-SSDOTTSWSA-N -1 0 323.348 -0.248 20 0 DBADRM CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)NCCCC(=O)[O-] ZINC000580646736 341891657 /nfs/dbraw/zinc/89/16/57/341891657.db2.gz KTXOIPASMFRNGN-ZCFIWIBFSA-N -1 0 300.233 -0.651 20 0 DBADRM C[C@@](O)(CNC(=O)CNC(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000577279889 341902114 /nfs/dbraw/zinc/90/21/14/341902114.db2.gz PWVIACZNKBNDGE-CYBMUJFWSA-N -1 0 316.260 -0.354 20 0 DBADRM CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NCCCC(=O)[O-])C1 ZINC000577391967 341907664 /nfs/dbraw/zinc/90/76/64/341907664.db2.gz ZGCATYKSJDPMGH-SNVBAGLBSA-N -1 0 321.399 -0.037 20 0 DBADRM O=C([O-])[C@@H](O)[C@H]1CCCN(S(=O)(=O)CCOCC2CC2)C1 ZINC000577531366 341916211 /nfs/dbraw/zinc/91/62/11/341916211.db2.gz WBLNPNXTISVSBC-RYUDHWBXSA-N -1 0 321.395 -0.100 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCCCC(=O)[O-] ZINC000577610541 341923135 /nfs/dbraw/zinc/92/31/35/341923135.db2.gz KZHVNPBBAXPNBI-VHSXEESVSA-N -1 0 302.327 -0.722 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000577637701 341926388 /nfs/dbraw/zinc/92/63/88/341926388.db2.gz BCYMAGAMEKMDKE-LLVKDONJSA-N -1 0 322.365 -0.214 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)NCCCC(=O)[O-])[C@H]1C ZINC000577730784 341932472 /nfs/dbraw/zinc/93/24/72/341932472.db2.gz WKOGHHJHQBKANU-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM CCC(=O)C[C@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000577810471 341937550 /nfs/dbraw/zinc/93/75/50/341937550.db2.gz YDLBVARFJZAMJR-VIFPVBQESA-N -1 0 306.340 -0.751 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)C1 ZINC000577857008 341943702 /nfs/dbraw/zinc/94/37/02/341943702.db2.gz XFRPJBNYGLABJH-QNWJLWSRSA-N -1 0 324.377 -0.215 20 0 DBADRM COc1cc(C)nc([N-]S(=O)(=O)CCCS(N)(=O)=O)n1 ZINC000349446340 341975869 /nfs/dbraw/zinc/97/58/69/341975869.db2.gz HKNWTKKRNMAUKO-UHFFFAOYSA-N -1 0 324.384 -0.786 20 0 DBADRM CCN(CC)S(=O)(=O)C=C([O-])Nc1nc(COC)ns1 ZINC000345763021 520765495 /nfs/dbraw/zinc/76/54/95/520765495.db2.gz ALXASHFXLSPSOH-UHFFFAOYSA-N -1 0 322.412 -0.284 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)nn1 ZINC000428026954 534369532 /nfs/dbraw/zinc/36/95/32/534369532.db2.gz HSYSSQXWICNVKC-LLVKDONJSA-N -1 0 303.278 -0.681 20 0 DBADRM CC(C)=CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000190240500 519439642 /nfs/dbraw/zinc/43/96/42/519439642.db2.gz IREZQJXNUCUVDL-UHFFFAOYSA-N -1 0 310.335 -0.144 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000262780321 519637114 /nfs/dbraw/zinc/63/71/14/519637114.db2.gz IVKIANHNCRPFNM-UHFFFAOYSA-N -1 0 307.372 -0.777 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cnn(C)c1 ZINC000262384416 519662727 /nfs/dbraw/zinc/66/27/27/519662727.db2.gz HMSUYTGZOKCWBT-QMMMGPOBSA-N -1 0 318.355 -0.980 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)c2ccnc(C(=O)[O-])c2)CCO1 ZINC000262381272 519674082 /nfs/dbraw/zinc/67/40/82/519674082.db2.gz IMRRINLPPSYTCV-NSHDSACASA-N -1 0 307.306 -0.243 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000262195082 519769398 /nfs/dbraw/zinc/76/93/98/519769398.db2.gz QJBMXXJWLKGIRZ-LLVKDONJSA-N -1 0 324.399 -0.444 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000332428144 519786390 /nfs/dbraw/zinc/78/63/90/519786390.db2.gz UTVZPDFNXYEMOJ-UHFFFAOYSA-N -1 0 301.372 -0.092 20 0 DBADRM CCOC[C@@H](O)C[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000336841610 520101554 /nfs/dbraw/zinc/10/15/54/520101554.db2.gz SDOXXFCPJHIMQV-ZETCQYMHSA-N -1 0 324.380 -0.395 20 0 DBADRM CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C ZINC000266031522 520240175 /nfs/dbraw/zinc/24/01/75/520240175.db2.gz MPAPJIGNVMJUOZ-QMMMGPOBSA-N -1 0 304.372 -0.229 20 0 DBADRM CCN(CC(=O)[O-])C(=O)CNS(=O)(=O)CCOC(C)C ZINC000262391480 520376122 /nfs/dbraw/zinc/37/61/22/520376122.db2.gz IPUZDNJDRPCMSS-UHFFFAOYSA-N -1 0 310.372 -0.736 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000262354406 520378605 /nfs/dbraw/zinc/37/86/05/520378605.db2.gz BPWJJFNUIILTSE-JTQLQIEISA-N -1 0 306.384 -0.019 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(-n2cnnn2)cc1 ZINC000447630342 534501709 /nfs/dbraw/zinc/50/17/09/534501709.db2.gz PMNXQEFFQUKWNJ-UHFFFAOYSA-N -1 0 301.266 -0.689 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccccc1-n1cnnn1 ZINC000447635895 534502117 /nfs/dbraw/zinc/50/21/17/534502117.db2.gz DPJFCKRKPVNDRG-UHFFFAOYSA-N -1 0 301.266 -0.689 20 0 DBADRM CCOC(=O)CCCNC(=O)Cn1[n-]c(SC)nc1=O ZINC000347590342 520647451 /nfs/dbraw/zinc/64/74/51/520647451.db2.gz BJRJSWIXIOZGOY-UHFFFAOYSA-N -1 0 302.356 -0.247 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000233691443 520713452 /nfs/dbraw/zinc/71/34/52/520713452.db2.gz OOFVUIDXPPAXMA-VIFPVBQESA-N -1 0 319.339 -0.505 20 0 DBADRM CCC[C@@H](NC(=O)CN(C)CC(=O)NC(C)C)c1nnn[n-]1 ZINC000343766122 520731457 /nfs/dbraw/zinc/73/14/57/520731457.db2.gz OXVWLDYOVZWHPP-SNVBAGLBSA-N -1 0 311.390 -0.387 20 0 DBADRM CCC[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1nnn[n-]1 ZINC000343723742 520756156 /nfs/dbraw/zinc/75/61/56/520756156.db2.gz HLAQKQHRKBADSO-MRVPVSSYSA-N -1 0 321.345 -0.849 20 0 DBADRM CCC[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1nnn[n-]1 ZINC000343761306 521126219 /nfs/dbraw/zinc/12/62/19/521126219.db2.gz GLJMSHYKMZIRFI-ZETCQYMHSA-N -1 0 309.330 -0.513 20 0 DBADRM CCC(CC)(CNC(=O)CNC(=O)CNC(C)=O)C(=O)[O-] ZINC000262221544 521430917 /nfs/dbraw/zinc/43/09/17/521430917.db2.gz XDVXOVNOKFQKTR-UHFFFAOYSA-N -1 0 301.343 -0.754 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)CN(C)S(C)(=O)=O)[n-]1 ZINC000339167316 521571746 /nfs/dbraw/zinc/57/17/46/521571746.db2.gz HHNZUFLNPGYTGV-UHFFFAOYSA-N -1 0 304.328 -0.584 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000262841525 521655268 /nfs/dbraw/zinc/65/52/68/521655268.db2.gz SDZHWDCETRMDIE-UHFFFAOYSA-N -1 0 322.383 -0.735 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)C2(C(=O)[O-])CC2)CC1 ZINC000262162975 521662722 /nfs/dbraw/zinc/66/27/22/521662722.db2.gz CILBLABFZBDIRL-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263099022 521679114 /nfs/dbraw/zinc/67/91/14/521679114.db2.gz AWBZCNQASXQBFN-VHSXEESVSA-N -1 0 321.399 -0.322 20 0 DBADRM CCNC(=O)NC1(C(=O)NC[C@](C)(O)C(=O)[O-])CCCC1 ZINC000262428220 521742417 /nfs/dbraw/zinc/74/24/17/521742417.db2.gz RZRSIVMLPMZMMC-LBPRGKRZSA-N -1 0 301.343 -0.430 20 0 DBADRM COCC[C@H](C)CCS(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000352893855 521902569 /nfs/dbraw/zinc/90/25/69/521902569.db2.gz QFPPVDFUGBBRLM-VIFPVBQESA-N -1 0 307.372 -0.113 20 0 DBADRM CN(C)S(=O)(=O)CCN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377606901 521950998 /nfs/dbraw/zinc/95/09/98/521950998.db2.gz MMDJEHSNFOAQAM-VIFPVBQESA-N -1 0 303.388 -0.419 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCC(N)=O)c1 ZINC000343911877 521988981 /nfs/dbraw/zinc/98/89/81/521988981.db2.gz VVLATNNAJFYVMQ-UHFFFAOYSA-N -1 0 315.351 -0.752 20 0 DBADRM CN(C)c1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)ccn1 ZINC000338116526 522118015 /nfs/dbraw/zinc/11/80/15/522118015.db2.gz RFAYDJGTBVVRTF-UHFFFAOYSA-N -1 0 310.339 -0.079 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])o1 ZINC000364422073 522154392 /nfs/dbraw/zinc/15/43/92/522154392.db2.gz RPTITOVPFAKNER-BQBZGAKWSA-N -1 0 319.291 -0.725 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC000090276803 522157166 /nfs/dbraw/zinc/15/71/66/522157166.db2.gz NQFBWKUGMLKEST-LBPRGKRZSA-N -1 0 317.319 -0.413 20 0 DBADRM CNS(=O)(=O)CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000262397915 522179020 /nfs/dbraw/zinc/17/90/20/522179020.db2.gz NSUSODLUSRIPPE-AEJSXWLSSA-N -1 0 304.368 -0.220 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000350640105 522197364 /nfs/dbraw/zinc/19/73/64/522197364.db2.gz RSONBUXXVKQVKH-ZCFIWIBFSA-N -1 0 323.400 -0.662 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000158449005 522336358 /nfs/dbraw/zinc/33/63/58/522336358.db2.gz GFARQASHCWZYND-RNFRBKRXSA-N -1 0 312.244 -0.387 20 0 DBADRM CN(C)c1ncc(CNC(=O)c2cnc([O-])n(C)c2=O)n1C ZINC000267571355 522346017 /nfs/dbraw/zinc/34/60/17/522346017.db2.gz HLBDEEMIVZYFLN-UHFFFAOYSA-N -1 0 306.326 -0.785 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000262379201 522526432 /nfs/dbraw/zinc/52/64/32/522526432.db2.gz CFZCYENDVTVARF-GWCFXTLKSA-N -1 0 308.338 -0.127 20 0 DBADRM CN(CCNC(=O)c1cnc([O-])n(C)c1=O)CC(F)(F)F ZINC000267578409 522863724 /nfs/dbraw/zinc/86/37/24/522863724.db2.gz INKRMOKDXDUUHV-UHFFFAOYSA-N -1 0 308.260 -0.290 20 0 DBADRM Cn1c2cc(C(=O)NCCc3nc(=O)o[n-]3)ccc2[nH]c1=O ZINC000447635831 534699562 /nfs/dbraw/zinc/69/95/62/534699562.db2.gz HFTMXGIJHFGLLR-UHFFFAOYSA-N -1 0 303.278 -0.072 20 0 DBADRM COC(=O)Cn1ccc(=NC(=O)N=c2cc(C)c(C)n[n-]2)[nH]1 ZINC000347491354 523404051 /nfs/dbraw/zinc/40/40/51/523404051.db2.gz BXRNAHTVWSMABF-UHFFFAOYSA-N -1 0 304.310 -0.049 20 0 DBADRM COC(=O)Cn1ccc(=NC(=O)N=c2[n-]nc3ccccn32)[nH]1 ZINC000347533514 523405050 /nfs/dbraw/zinc/40/50/50/523405050.db2.gz WZUGBDQPZTZVIY-UHFFFAOYSA-N -1 0 315.293 -0.413 20 0 DBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)n1 ZINC000265421139 523410575 /nfs/dbraw/zinc/41/05/75/523410575.db2.gz NSEMNGGMDFYWMW-SECBINFHSA-N -1 0 303.340 -0.023 20 0 DBADRM CC[C@@H]1C[C@H]1CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000332185738 523579335 /nfs/dbraw/zinc/57/93/35/523579335.db2.gz XTVVHFXZOILDJY-KXUCPTDWSA-N -1 0 304.368 -0.074 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CCOC(C)C)c1ccn(C)n1 ZINC000345650563 523635140 /nfs/dbraw/zinc/63/51/40/523635140.db2.gz ZRCKVQORWXBPPP-NSHDSACASA-N -1 0 319.383 -0.021 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000345202463 523649059 /nfs/dbraw/zinc/64/90/59/523649059.db2.gz RAVRSUFYJKWANA-JTQLQIEISA-N -1 0 316.335 -0.678 20 0 DBADRM CN1CCC[C@@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000265009398 523820707 /nfs/dbraw/zinc/82/07/07/523820707.db2.gz ZZWVQEZNQJKLTJ-ZCFIWIBFSA-N -1 0 305.385 -0.058 20 0 DBADRM CN1CCC[C@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000265009391 523847586 /nfs/dbraw/zinc/84/75/86/523847586.db2.gz ZZWVQEZNQJKLTJ-LURJTMIESA-N -1 0 305.385 -0.058 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000330871512 523989166 /nfs/dbraw/zinc/98/91/66/523989166.db2.gz ZZSDRJIGXYVOTP-UHFFFAOYSA-N -1 0 313.383 -0.600 20 0 DBADRM CN1C[C@@H](C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CC1=O ZINC000329342983 524006545 /nfs/dbraw/zinc/00/65/45/524006545.db2.gz PVQVRBVRFQCLIO-QMMMGPOBSA-N -1 0 302.294 -0.215 20 0 DBADRM CN(C)C(=O)c1cc(S(=O)(=O)NCCCC(=O)[O-])cn1C ZINC000262499184 524020663 /nfs/dbraw/zinc/02/06/63/524020663.db2.gz YVRHBVRWPGVLEU-UHFFFAOYSA-N -1 0 317.367 -0.130 20 0 DBADRM CNC(=O)C1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000344936246 524052214 /nfs/dbraw/zinc/05/22/14/524052214.db2.gz OVJGKDIWCKUWHM-UHFFFAOYSA-N -1 0 303.278 -0.746 20 0 DBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2cnc3n2CCC3)cn1 ZINC000333105762 524076406 /nfs/dbraw/zinc/07/64/06/524076406.db2.gz WFOQMSQSGUJUSX-UHFFFAOYSA-N -1 0 324.366 -0.427 20 0 DBADRM Cc1cc(C(=O)N[C@H](C)C(=O)N(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000265876174 524140582 /nfs/dbraw/zinc/14/05/82/524140582.db2.gz ZRRXAPNCXHTWFW-SSDOTTSWSA-N -1 0 319.321 -0.049 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCC(=O)NC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266811501 524149045 /nfs/dbraw/zinc/14/90/45/524149045.db2.gz HRQXKGXBXZYKIM-ZETCQYMHSA-N -1 0 317.305 -0.247 20 0 DBADRM C[C@H](CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)[O-] ZINC000262498378 524375351 /nfs/dbraw/zinc/37/53/51/524375351.db2.gz HOXJILFNISHIKA-MRVPVSSYSA-N -1 0 313.335 -0.679 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)CSCC(=O)N1CCOCC1 ZINC000037457492 524393808 /nfs/dbraw/zinc/39/38/08/524393808.db2.gz NPPZZJDFRJDHIF-VIFPVBQESA-N -1 0 304.368 -0.442 20 0 DBADRM C[C@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@@H]1C(=O)[O-] ZINC000337030646 524491444 /nfs/dbraw/zinc/49/14/44/524491444.db2.gz FTZNRIBMXJFXSF-UWVGGRQHSA-N -1 0 304.306 -0.325 20 0 DBADRM C[C@@H](CNC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000262763926 524654233 /nfs/dbraw/zinc/65/42/33/524654233.db2.gz LHLXFBMXUXPRQF-QMMMGPOBSA-N -1 0 308.290 -0.018 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)CN1CCOCC1 ZINC000267590070 524727586 /nfs/dbraw/zinc/72/75/86/524727586.db2.gz MSFMJCROSUZABZ-JTQLQIEISA-N -1 0 310.354 -0.816 20 0 DBADRM COc1ccccc1[C@@H](O)CNC(=O)c1cnc([O-])n(C)c1=O ZINC000268001860 524740336 /nfs/dbraw/zinc/74/03/36/524740336.db2.gz NGEQJNRMAANCRY-NSHDSACASA-N -1 0 319.317 -0.042 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1OC ZINC000037405916 525072768 /nfs/dbraw/zinc/07/27/68/525072768.db2.gz CXEGLKSDBYWAIM-HQJQHLMTSA-N -1 0 319.335 -0.184 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2CSC(=O)N2)s1 ZINC000265781592 525228291 /nfs/dbraw/zinc/22/82/91/525228291.db2.gz GTFWGGCJFQKFCH-GSVOUGTGSA-N -1 0 323.381 -0.327 20 0 DBADRM C[C@H](NC(=O)c1cccc(CN2C(=O)CNC2=O)c1)C(=O)[O-] ZINC000262823128 525229176 /nfs/dbraw/zinc/22/91/76/525229176.db2.gz SXCGASILIFVWBA-QMMMGPOBSA-N -1 0 305.290 -0.059 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)CNC(=O)c2ccccc2)n[n-]1 ZINC000338110593 525281491 /nfs/dbraw/zinc/28/14/91/525281491.db2.gz CITLHHQSPLBIEU-UHFFFAOYSA-N -1 0 323.334 -0.423 20 0 DBADRM CSC1(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000332126697 525319996 /nfs/dbraw/zinc/31/99/96/525319996.db2.gz IUEJAFYZQLSPAA-QMMMGPOBSA-N -1 0 322.408 -0.225 20 0 DBADRM Cc1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cnc1Cl ZINC000265280089 525407409 /nfs/dbraw/zinc/40/74/09/525407409.db2.gz JGKIJHOUMPFJLO-UHFFFAOYSA-N -1 0 321.742 -0.477 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)[C@H](C)C1 ZINC000331046714 525754292 /nfs/dbraw/zinc/75/42/92/525754292.db2.gz GQIBPCLWFDDNAV-BDAKNGLRSA-N -1 0 315.399 -0.484 20 0 DBADRM C[C@@](O)(CNC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000262524538 525768099 /nfs/dbraw/zinc/76/80/99/525768099.db2.gz OIQATLTXMKLHQP-OAHLLOKOSA-N -1 0 320.301 -0.376 20 0 DBADRM COc1cccc(C(=O)NCC(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000263003235 525816061 /nfs/dbraw/zinc/81/60/61/525816061.db2.gz VKFHHBGHITWROB-OAHLLOKOSA-N -1 0 322.317 -0.215 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)COCC(=O)NCc1cccnc1 ZINC000262933145 526177406 /nfs/dbraw/zinc/17/74/06/526177406.db2.gz YACDYLDGHKGGHF-SNVBAGLBSA-N -1 0 309.322 -0.354 20 0 DBADRM Cc1cc(C(=O)NCC(=O)NC(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266774019 526264830 /nfs/dbraw/zinc/26/48/30/526264830.db2.gz AZEBYIUNOSIMIM-UHFFFAOYSA-N -1 0 319.321 -0.001 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@@H]2CCCCO2)CCS1(=O)=O ZINC000333349914 526284794 /nfs/dbraw/zinc/28/47/94/526284794.db2.gz AYOAGJAPTKOWHP-UWVGGRQHSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CNC(=O)Cc2cccc(F)c2)CCO1 ZINC000262911833 526284960 /nfs/dbraw/zinc/28/49/60/526284960.db2.gz CUIKRFSOYRFNCF-LBPRGKRZSA-N -1 0 324.308 -0.204 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)Cc2ccon2)C1 ZINC000274950502 526316593 /nfs/dbraw/zinc/31/65/93/526316593.db2.gz HUSFQFMJUUICBS-QMMMGPOBSA-N -1 0 317.323 -0.973 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)C1 ZINC000331779331 526326066 /nfs/dbraw/zinc/32/60/66/526326066.db2.gz KSHGRHCFMPTGRE-QWRGUYRKSA-N -1 0 321.337 -0.625 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@@H]2CCCCO2)CCS1(=O)=O ZINC000333349915 526331879 /nfs/dbraw/zinc/33/18/79/526331879.db2.gz AYOAGJAPTKOWHP-VHSXEESVSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CN2CCC(=O)NC2=O)cc1 ZINC000262894064 526366330 /nfs/dbraw/zinc/36/63/30/526366330.db2.gz OGMCNRNABWPEGB-UHFFFAOYSA-N -1 0 305.290 -0.057 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@@H]2COc3ccccc3O2)nn1 ZINC000263363477 526400971 /nfs/dbraw/zinc/40/09/71/526400971.db2.gz VHMIDWITVKNHOD-SECBINFHSA-N -1 0 318.289 -0.068 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000331091450 526821806 /nfs/dbraw/zinc/82/18/06/526821806.db2.gz WPLIFQXGUPVWQB-YFKPBYRVSA-N -1 0 307.232 -0.463 20 0 DBADRM O=C(CN1[N-]S(=O)(=O)c2ccccc2C1=O)NCC1CC1 ZINC000337668795 526823978 /nfs/dbraw/zinc/82/39/78/526823978.db2.gz OBDDKHZIKIGVBC-UHFFFAOYSA-N -1 0 309.347 -0.138 20 0 DBADRM O=C(CN1CC2N=NC(=O)N2C[C@H]1C(=O)[O-])NC1CCCC1 ZINC000333604971 526824159 /nfs/dbraw/zinc/82/41/59/526824159.db2.gz RASFEJLMQAMKHC-VIFPVBQESA-N -1 0 309.326 -0.689 20 0 DBADRM Cc1sc(=O)n(CCC(=O)NC[C@](C)(O)C(=O)[O-])c1C ZINC000262455256 526869060 /nfs/dbraw/zinc/86/90/60/526869060.db2.gz FEJOCEZFUQUSOO-LBPRGKRZSA-N -1 0 302.352 -0.131 20 0 DBADRM NC(=O)CO[N-]C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000361736074 526890574 /nfs/dbraw/zinc/89/05/74/526890574.db2.gz XXSYYTLCXJBBIJ-UHFFFAOYSA-N -1 0 304.306 -0.302 20 0 DBADRM NC(=O)C[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)C1CCOCC1 ZINC000263251031 526907584 /nfs/dbraw/zinc/90/75/84/526907584.db2.gz HGUMIMNGMAKJBP-VIFPVBQESA-N -1 0 322.321 -0.425 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000262040275 526939207 /nfs/dbraw/zinc/93/92/07/526939207.db2.gz BUPSPSAAOBGWSI-CQSZACIVSA-N -1 0 307.306 -0.172 20 0 DBADRM O=C(COc1ccccc1)NCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262905380 526984320 /nfs/dbraw/zinc/98/43/20/526984320.db2.gz QYAJWQJVPRUSJR-LBPRGKRZSA-N -1 0 322.317 -0.506 20 0 DBADRM O=C1CNC(=O)N1CC[N-]S(=O)(=O)c1c(F)cccc1F ZINC000264959288 527010600 /nfs/dbraw/zinc/01/06/00/527010600.db2.gz NNJRWRKEQUBVQH-UHFFFAOYSA-N -1 0 319.289 -0.205 20 0 DBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H](C(=O)[O-])C1CC1 ZINC000054502985 527031683 /nfs/dbraw/zinc/03/16/83/527031683.db2.gz GRXMYLSIGOKOMF-SCZZXKLOSA-N -1 0 307.393 -0.114 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1=O ZINC000321967234 527035472 /nfs/dbraw/zinc/03/54/72/527035472.db2.gz JVMVPGNCKPQTRP-CYBMUJFWSA-N -1 0 317.301 -0.511 20 0 DBADRM NC(=O)c1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)cn1 ZINC000346356109 527039789 /nfs/dbraw/zinc/03/97/89/527039789.db2.gz VYHWXMJELVCHME-UHFFFAOYSA-N -1 0 301.310 -0.107 20 0 DBADRM NC(=O)c1ccc(OCC(=O)NCCCc2n[nH]c(=O)[n-]2)cc1 ZINC000343557176 527069626 /nfs/dbraw/zinc/06/96/26/527069626.db2.gz QRPCJFLLJHIOFB-UHFFFAOYSA-N -1 0 319.321 -0.263 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000085856122 527073817 /nfs/dbraw/zinc/07/38/17/527073817.db2.gz BKOBDXJFSRRZTO-LBPRGKRZSA-N -1 0 314.319 -0.693 20 0 DBADRM O=C(Cc1[nH]c(O)nc1O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000343851694 527139833 /nfs/dbraw/zinc/13/98/33/527139833.db2.gz DHNWYMFGMHKTFJ-VIFPVBQESA-N -1 0 315.293 -0.673 20 0 DBADRM O=C(Cc1[nH]c(O)nc1O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000343588778 527181484 /nfs/dbraw/zinc/18/14/84/527181484.db2.gz RUOARXPSPKWUOO-SECBINFHSA-N -1 0 315.293 -0.919 20 0 DBADRM Cn1cncc1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000347823566 527505315 /nfs/dbraw/zinc/50/53/15/527505315.db2.gz IIBUKGACMPEBFO-UHFFFAOYSA-N -1 0 302.341 -0.105 20 0 DBADRM Cn1cnn(CC(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)c1=O ZINC000329175752 527514620 /nfs/dbraw/zinc/51/46/20/527514620.db2.gz MHAWWTHAYKVYEW-MRVPVSSYSA-N -1 0 307.314 -0.841 20 0 DBADRM O=C([O-])CCCNC(=O)CCNS(=O)(=O)c1cccnc1 ZINC000262776696 527586243 /nfs/dbraw/zinc/58/62/43/527586243.db2.gz WKCJXFBATKUHRR-UHFFFAOYSA-N -1 0 315.351 -0.269 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)CCO1 ZINC000261762172 527630492 /nfs/dbraw/zinc/63/04/92/527630492.db2.gz PZJUGYTWUYVQBY-GFCCVEGCSA-N -1 0 317.305 -0.022 20 0 DBADRM Cn1ncnc1[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000126967699 527639127 /nfs/dbraw/zinc/63/91/27/527639127.db2.gz DCERTCXOHVWYMF-UHFFFAOYSA-N -1 0 322.350 -0.194 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)CC(=O)NCC(F)(F)F)n1 ZINC000262743940 527641747 /nfs/dbraw/zinc/64/17/47/527641747.db2.gz HHBHQZFEEAEVIT-UHFFFAOYSA-N -1 0 308.216 -0.025 20 0 DBADRM O=C([O-])Cn1cc(CNC(=O)Cc2cn3ccccc3n2)nn1 ZINC000336870401 527641955 /nfs/dbraw/zinc/64/19/55/527641955.db2.gz JFSHIWQOKYOEMV-UHFFFAOYSA-N -1 0 314.305 -0.131 20 0 DBADRM CCNC(=O)N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000195064765 528129784 /nfs/dbraw/zinc/12/97/84/528129784.db2.gz RXNNABOTTDSHBM-UHFFFAOYSA-N -1 0 318.321 -0.270 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)[N-][C@]1(C(=O)OC)CCOC1 ZINC000451298970 528954404 /nfs/dbraw/zinc/95/44/04/528954404.db2.gz XXFYWLHBLZQDAM-CMPLNLGQSA-N -1 0 309.384 -0.090 20 0 DBADRM CC(C)(NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1nnn[n-]1 ZINC000340732340 535217378 /nfs/dbraw/zinc/21/73/78/535217378.db2.gz FOWPMBARYHRKBU-DTORHVGOSA-N -1 0 318.337 -0.498 20 0 DBADRM CC(C)c1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)no1 ZINC000277779584 535362243 /nfs/dbraw/zinc/36/22/43/535362243.db2.gz WPQLSJMQDDRMDA-UHFFFAOYSA-N -1 0 303.340 -0.006 20 0 DBADRM CCN(CC)S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275366060 535626302 /nfs/dbraw/zinc/62/63/02/535626302.db2.gz YBNTXNWUHZVTLL-SNVBAGLBSA-N -1 0 304.372 -0.408 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000274977557 535891985 /nfs/dbraw/zinc/89/19/85/535891985.db2.gz XFASJIBOQPPFBY-VIFPVBQESA-N -1 0 313.339 -0.400 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-] ZINC000297114197 536312410 /nfs/dbraw/zinc/31/24/10/536312410.db2.gz GBPKCEACXXLBJJ-SECBINFHSA-N -1 0 318.307 -0.615 20 0 DBADRM COC(=O)N(C)CC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000272580315 536388062 /nfs/dbraw/zinc/38/80/62/536388062.db2.gz ATASTONPKQVJEL-MRVPVSSYSA-N -1 0 303.315 -0.878 20 0 DBADRM COC(=O)N(C)CCCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000281958166 536391976 /nfs/dbraw/zinc/39/19/76/536391976.db2.gz DIVXUYQCPBTBHG-UHFFFAOYSA-N -1 0 323.371 -0.953 20 0 DBADRM CNC(=O)c1ccc([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)nc1 ZINC000340634702 536434898 /nfs/dbraw/zinc/43/48/98/536434898.db2.gz RGXKZMWGSIGGNN-QMMMGPOBSA-N -1 0 314.367 -0.340 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000274866700 536654426 /nfs/dbraw/zinc/65/44/26/536654426.db2.gz CMOPEXWZGRHERF-ZETCQYMHSA-N -1 0 302.356 -0.106 20 0 DBADRM COC(=O)c1csc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1 ZINC000274986292 536852737 /nfs/dbraw/zinc/85/27/37/536852737.db2.gz YIJBOABNMHLFHG-SSDOTTSWSA-N -1 0 323.348 -0.351 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000828573164 603593219 /nfs/dbraw/zinc/59/32/19/603593219.db2.gz NTGUFWGFUSZSAF-UHFFFAOYSA-N -1 0 307.372 -0.616 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)C(C)(C)CNC(=O)[O-] ZINC000828095635 603617784 /nfs/dbraw/zinc/61/77/84/603617784.db2.gz LGUJRPDOSIZSIK-UHFFFAOYSA-N -1 0 301.343 -0.403 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC2CCOCC2)c1=O ZINC000736714330 598892298 /nfs/dbraw/zinc/89/22/98/598892298.db2.gz QTPUQZFOLFWETB-UHFFFAOYSA-N -1 0 306.326 -0.363 20 0 DBADRM C[C@H](CC(=O)N(C)CC(=O)N1CCN(C)CC1)NC(=O)[O-] ZINC000824553446 603522122 /nfs/dbraw/zinc/52/21/22/603522122.db2.gz ZIOYEEHWLSURCO-SNVBAGLBSA-N -1 0 300.359 -0.735 20 0 DBADRM C[C@@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C[C@H](C)O ZINC000736145639 598972988 /nfs/dbraw/zinc/97/29/88/598972988.db2.gz VHFQMWQMRSUMHM-SFYZADRCSA-N -1 0 323.357 -0.917 20 0 DBADRM CNS(=O)(=O)CC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000831025361 601340913 /nfs/dbraw/zinc/34/09/13/601340913.db2.gz RJDVYGMWYFUXJP-UHFFFAOYSA-N -1 0 300.336 -0.407 20 0 DBADRM CN(C1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1)S(C)(=O)=O ZINC000737384411 599740862 /nfs/dbraw/zinc/74/08/62/599740862.db2.gz YOLBPCRJJPLFBQ-UHFFFAOYSA-N -1 0 321.399 -0.085 20 0 DBADRM CC[C@H](O)CN1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000739277446 602666729 /nfs/dbraw/zinc/66/67/29/602666729.db2.gz KQSMIQNNJFJKSU-NSHDSACASA-N -1 0 303.359 -0.814 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000739984141 603224525 /nfs/dbraw/zinc/22/45/25/603224525.db2.gz NJMACYMWNJQXAH-VHSXEESVSA-N -1 0 322.383 -0.400 20 0 DBADRM C[C@@H]1CC[C@@H](C)N(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000820684160 599359357 /nfs/dbraw/zinc/35/93/57/599359357.db2.gz MQEMXOKXLMBZRQ-RKDXNWHRSA-N -1 0 319.369 -0.111 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCCC(=O)[O-])C1=O ZINC000818478195 596927511 /nfs/dbraw/zinc/92/75/11/596927511.db2.gz FXRWAKCOVIAFFZ-SDBXPKJASA-N -1 0 312.326 -0.519 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000817762776 596938168 /nfs/dbraw/zinc/93/81/68/596938168.db2.gz WPCGFRMLNYLIRP-SSDOTTSWSA-N -1 0 304.324 -0.126 20 0 DBADRM C[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)C(N)=O ZINC000738954307 596952579 /nfs/dbraw/zinc/95/25/79/596952579.db2.gz KRSBKEATMKXXDM-LDYMZIIASA-N -1 0 304.306 -0.304 20 0 DBADRM CNC(=O)CN(C)C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000739742029 596959471 /nfs/dbraw/zinc/95/94/71/596959471.db2.gz WUHJSCNQMYOOKV-GFCCVEGCSA-N -1 0 318.333 -0.090 20 0 DBADRM O=C([O-])[C@H]1CC(C(=O)N2CCNC(=O)C2)=NN1c1ccccc1 ZINC000740729480 596960021 /nfs/dbraw/zinc/96/00/21/596960021.db2.gz DTPCBROCXGHSJB-GFCCVEGCSA-N -1 0 316.317 -0.336 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)c1=O ZINC000819072165 596960147 /nfs/dbraw/zinc/96/01/47/596960147.db2.gz JBGZGKVTWXLMDG-UHFFFAOYSA-N -1 0 307.306 -0.353 20 0 DBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)NCCCC(=O)[O-])ccn1 ZINC000818373918 596960326 /nfs/dbraw/zinc/96/03/26/596960326.db2.gz DLJRZLNCTDKTJX-UHFFFAOYSA-N -1 0 322.321 -0.297 20 0 DBADRM CN(CC(=O)[O-])C(=O)CSc1nnnn1CC(F)(F)F ZINC000737982330 596982114 /nfs/dbraw/zinc/98/21/14/596982114.db2.gz DKFBAPLBNPYNRJ-UHFFFAOYSA-N -1 0 313.261 -0.130 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NCCCN1CCCS1(=O)=O ZINC000818432231 596993982 /nfs/dbraw/zinc/99/39/82/596993982.db2.gz JGZPDIJMPCDENP-UHFFFAOYSA-N -1 0 307.372 -0.472 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000738555214 597006670 /nfs/dbraw/zinc/00/66/70/597006670.db2.gz APTWSFNLXOJFEE-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM CN(C(=O)NCCC(=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000818363381 597015579 /nfs/dbraw/zinc/01/55/79/597015579.db2.gz BHLDTGWXFONRNB-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM O=C([O-])CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000740484731 597020688 /nfs/dbraw/zinc/02/06/88/597020688.db2.gz SUDVGMKSEVKDCI-UHFFFAOYSA-N -1 0 324.314 -0.192 20 0 DBADRM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000739071424 597022391 /nfs/dbraw/zinc/02/23/91/597022391.db2.gz LSCYQOBYZPHDEH-AWEZNQCLSA-N -1 0 305.290 -0.346 20 0 DBADRM COC(=O)CCc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000739759256 597042605 /nfs/dbraw/zinc/04/26/05/597042605.db2.gz CLBFVRBKYQMPSI-UHFFFAOYSA-N -1 0 308.290 -0.069 20 0 DBADRM COc1cc(F)c(NC(=O)C(=O)NCC(=O)[O-])cc1OC ZINC000739864135 597042942 /nfs/dbraw/zinc/04/29/42/597042942.db2.gz QLLOJDJJRSXDGT-UHFFFAOYSA-N -1 0 300.242 -0.018 20 0 DBADRM Cc1nc(-c2cccc(NC(=O)C(=O)NCC(=O)[O-])c2)n[nH]1 ZINC000740211235 597043202 /nfs/dbraw/zinc/04/32/02/597043202.db2.gz ZGDJNVXMXVYGAK-UHFFFAOYSA-N -1 0 303.278 -0.081 20 0 DBADRM CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000739595845 597047078 /nfs/dbraw/zinc/04/70/78/597047078.db2.gz GGSSCUZHJYPOEL-UHFFFAOYSA-N -1 0 307.306 -0.543 20 0 DBADRM CCNC(=O)COc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000739463347 597047340 /nfs/dbraw/zinc/04/73/40/597047340.db2.gz PUFXEXOKFNREEK-UHFFFAOYSA-N -1 0 323.305 -0.659 20 0 DBADRM Cc1nn(CN(C)CC(=O)[O-])c(=S)n1CC(=O)N(C)C ZINC000740252694 597053802 /nfs/dbraw/zinc/05/38/02/597053802.db2.gz NHFBRQPFTSXVIP-UHFFFAOYSA-N -1 0 301.372 -0.215 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(CN2CCC(C(=O)[O-])CC2)c1 ZINC000737956531 597053428 /nfs/dbraw/zinc/05/34/28/597053428.db2.gz JZBFDVQUGJCBET-UHFFFAOYSA-N -1 0 316.383 -0.113 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000128152635 597085224 /nfs/dbraw/zinc/08/52/24/597085224.db2.gz RKUNYBUHJQWYID-UHFFFAOYSA-N -1 0 310.397 -0.656 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000769526834 597090177 /nfs/dbraw/zinc/09/01/77/597090177.db2.gz KSBUKZZGKUEWPX-SECBINFHSA-N -1 0 309.322 -0.589 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)CSCC(=O)[O-])CC1 ZINC000690669410 597090730 /nfs/dbraw/zinc/09/07/30/597090730.db2.gz TZCNPCZRMQVOCA-UHFFFAOYSA-N -1 0 324.424 -0.408 20 0 DBADRM CN(C1CCN(C(=O)CSCC(=O)[O-])CC1)S(C)(=O)=O ZINC000739616574 597098887 /nfs/dbraw/zinc/09/88/87/597098887.db2.gz ICNSOUCQVCYIEM-UHFFFAOYSA-N -1 0 324.424 -0.313 20 0 DBADRM O=C([O-])CSCC(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000740485902 597103837 /nfs/dbraw/zinc/10/38/37/597103837.db2.gz QWLLLBMIWXNVDS-VIFPVBQESA-N -1 0 300.340 -0.677 20 0 DBADRM C[C@H]1NC(C(=O)NCCC(=O)[O-])=NN(c2ccccc2)C1=O ZINC000739199158 597116810 /nfs/dbraw/zinc/11/68/10/597116810.db2.gz TVYHXIAZJULBRN-SECBINFHSA-N -1 0 304.306 -0.084 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000737974077 597120517 /nfs/dbraw/zinc/12/05/17/597120517.db2.gz NGXRYMPPDJEZME-SNVBAGLBSA-N -1 0 322.321 -0.280 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)OCc2cn(CC(=O)[O-])nn2)C1 ZINC000819116944 597124190 /nfs/dbraw/zinc/12/41/90/597124190.db2.gz LENGLLIHLGPAJM-MRVPVSSYSA-N -1 0 311.298 -0.803 20 0 DBADRM C[C@@H]1CN(C(=O)CSCC(=O)[O-])C[C@@H]1N1CCOCC1 ZINC000739140888 597127344 /nfs/dbraw/zinc/12/73/44/597127344.db2.gz WFDKIMHUHYOKQN-MNOVXSKESA-N -1 0 302.396 -0.017 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000818003501 597133004 /nfs/dbraw/zinc/13/30/04/597133004.db2.gz DETVEEFCDIUQRH-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM C[C@@H](NC(=O)Nc1ccn(CCN2CCOCC2)n1)C(=O)[O-] ZINC000818039560 597206913 /nfs/dbraw/zinc/20/69/13/597206913.db2.gz GHJXZBBCVIIQNY-SNVBAGLBSA-N -1 0 311.342 -0.190 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ccccn2)c1)C(=O)[O-] ZINC000818021971 597215966 /nfs/dbraw/zinc/21/59/66/597215966.db2.gz AGIAGOWBJOFXQB-MRVPVSSYSA-N -1 0 303.278 -0.205 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)n1 ZINC000818547858 597218718 /nfs/dbraw/zinc/21/87/18/597218718.db2.gz YSBGYYNGFPJFQM-SNVBAGLBSA-N -1 0 312.326 -0.307 20 0 DBADRM Cc1cc(N2CCC[C@@H](NC(=O)NCCC(=O)[O-])C2=O)n(C)n1 ZINC000818829612 597226456 /nfs/dbraw/zinc/22/64/56/597226456.db2.gz BJJRUTADORWJDR-SNVBAGLBSA-N -1 0 323.353 -0.002 20 0 DBADRM Cn1cc(N2CCC[C@@H](NC(=O)NCCC(=O)[O-])C2=O)cn1 ZINC000819067668 597227913 /nfs/dbraw/zinc/22/79/13/597227913.db2.gz NHFLVDXITNLOFE-SNVBAGLBSA-N -1 0 309.326 -0.311 20 0 DBADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])C1)S(=O)(=O)C1CCOCC1 ZINC000817733580 597232542 /nfs/dbraw/zinc/23/25/42/597232542.db2.gz IXRMKYCRPYCEME-ZJUUUORDSA-N -1 0 319.379 -0.098 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000819467252 597255563 /nfs/dbraw/zinc/25/55/63/597255563.db2.gz BBHNTTCALSXGNG-UHFFFAOYSA-N -1 0 304.266 -0.808 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000738587768 597256046 /nfs/dbraw/zinc/25/60/46/597256046.db2.gz GUGRUFNSYXIBQY-UHFFFAOYSA-N -1 0 320.305 -0.254 20 0 DBADRM CS(=O)(=O)c1ccccc1NC(=O)C(=O)NCCC(=O)[O-] ZINC000738141971 597256386 /nfs/dbraw/zinc/25/63/86/597256386.db2.gz MFBXUWHGLNNQNJ-UHFFFAOYSA-N -1 0 314.319 -0.381 20 0 DBADRM COCCC(=O)N1CCC(NC(=O)NCCC(=O)[O-])CC1 ZINC000818533707 597256815 /nfs/dbraw/zinc/25/68/15/597256815.db2.gz MUSWCUVDTJEUPL-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM NC(=O)C1(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000819111066 597269399 /nfs/dbraw/zinc/26/93/99/597269399.db2.gz KVLSCRLACKYBHS-NSHDSACASA-N -1 0 316.317 -0.160 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)CCO1 ZINC000819117063 597300577 /nfs/dbraw/zinc/30/05/77/597300577.db2.gz VDLYFHYHQQPDHT-LLVKDONJSA-N -1 0 307.306 -0.220 20 0 DBADRM COCC(=O)NC1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000818530693 597309090 /nfs/dbraw/zinc/30/90/90/597309090.db2.gz RIZRKKBCNUKBGL-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM O=C([O-])CCCNC(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000819430006 597311020 /nfs/dbraw/zinc/31/10/20/597311020.db2.gz YANHFGFXAXKQBF-UHFFFAOYSA-N -1 0 315.370 -0.229 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCCC(=O)[O-] ZINC000037465271 597311141 /nfs/dbraw/zinc/31/11/41/597311141.db2.gz WTBICOYKLZRZMY-VIFPVBQESA-N -1 0 308.356 -0.287 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000819467369 597322036 /nfs/dbraw/zinc/32/20/36/597322036.db2.gz WVRWBVNMFWSXMP-JTQLQIEISA-N -1 0 319.317 -0.181 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000819521172 597322084 /nfs/dbraw/zinc/32/20/84/597322084.db2.gz IDMBPJIOWJOZKL-SECBINFHSA-N -1 0 305.290 -0.571 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccn(Cc2ccccn2)n1)C(=O)[O-] ZINC000818023368 597326360 /nfs/dbraw/zinc/32/63/60/597326360.db2.gz XBJFMYNABODKLF-VIFPVBQESA-N -1 0 317.305 -0.146 20 0 DBADRM COC[C@@H](O)CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000820710273 597340318 /nfs/dbraw/zinc/34/03/18/597340318.db2.gz KHYXDYZEBVBILE-WCQYABFASA-N -1 0 321.333 -0.171 20 0 DBADRM Cc1ccc(Cn2nccc2NC(=O)C(=O)NCC(=O)[O-])o1 ZINC000821083391 597342986 /nfs/dbraw/zinc/34/29/86/597342986.db2.gz DXZXBAJDHPTIJL-UHFFFAOYSA-N -1 0 306.278 -0.028 20 0 DBADRM CC(C)(CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-])C(N)=O ZINC000817842032 597347261 /nfs/dbraw/zinc/34/72/61/597347261.db2.gz IRWJYQGUEHXXOA-UHFFFAOYSA-N -1 0 321.333 -0.120 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1)C(=O)[O-] ZINC000737676778 597358409 /nfs/dbraw/zinc/35/84/09/597358409.db2.gz PTDQEXPMVBXEOT-SCZZXKLOSA-N -1 0 322.321 -0.234 20 0 DBADRM O=C([O-])CCNS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000261729665 597368432 /nfs/dbraw/zinc/36/84/32/597368432.db2.gz SHHFBMREHQFFJL-UHFFFAOYSA-N -1 0 303.340 -0.012 20 0 DBADRM CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)o1 ZINC000818645270 597371335 /nfs/dbraw/zinc/37/13/35/597371335.db2.gz GYFXSKBAWMNGOL-JTQLQIEISA-N -1 0 317.319 -0.250 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)CCO1 ZINC000738552096 597374730 /nfs/dbraw/zinc/37/47/30/597374730.db2.gz YDHLIBMYAXKLCC-SNVBAGLBSA-N -1 0 303.278 -0.412 20 0 DBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000261667992 597375599 /nfs/dbraw/zinc/37/55/99/597375599.db2.gz JWSHKYKEBUMQCI-VHSXEESVSA-N -1 0 315.351 -0.060 20 0 DBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC000261667989 597375887 /nfs/dbraw/zinc/37/58/87/597375887.db2.gz JWSHKYKEBUMQCI-UWVGGRQHSA-N -1 0 315.351 -0.060 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000315235103 597377225 /nfs/dbraw/zinc/37/72/25/597377225.db2.gz XAXSURXZMXFBFG-VIFPVBQESA-N -1 0 311.294 -0.559 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000043701066 597377637 /nfs/dbraw/zinc/37/76/37/597377637.db2.gz DVGVKHWKKFLVFT-RKDXNWHRSA-N -1 0 323.392 -0.781 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)CCO1 ZINC000043702042 597382671 /nfs/dbraw/zinc/38/26/71/597382671.db2.gz FMSKDUWBHHSPBO-QMMMGPOBSA-N -1 0 309.303 -0.318 20 0 DBADRM O=C([O-])[C@H]1CN(CCN2C(=O)NC3(CCCC3)C2=O)CCO1 ZINC000738547651 597399377 /nfs/dbraw/zinc/39/93/77/597399377.db2.gz ACDWCBFUUSWELZ-SNVBAGLBSA-N -1 0 311.338 -0.364 20 0 DBADRM Cc1onc2c1c(C)nn(CN1CCO[C@@H](C(=O)[O-])C1)c2=O ZINC000738379851 597445564 /nfs/dbraw/zinc/44/55/64/597445564.db2.gz VZUPBVRRCAQTPH-SECBINFHSA-N -1 0 308.294 -0.256 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000817753112 597469241 /nfs/dbraw/zinc/46/92/41/597469241.db2.gz LXDLMSDPKATRNY-QMMMGPOBSA-N -1 0 316.335 -0.356 20 0 DBADRM O=C([O-])CSCC(=O)NCC1(O)CCC2(CC1)OCCO2 ZINC000819539752 597484682 /nfs/dbraw/zinc/48/46/82/597484682.db2.gz OOQULEMOUGDYLY-UHFFFAOYSA-N -1 0 319.379 -0.031 20 0 DBADRM COC(=O)CNC(=O)c1ccc(NC(=O)NCC(=O)[O-])cc1 ZINC000818506884 597490945 /nfs/dbraw/zinc/49/09/45/597490945.db2.gz PYWXITXWRHTXAW-UHFFFAOYSA-N -1 0 309.278 -0.205 20 0 DBADRM Cc1cc(NC(=O)NCC(=O)[O-])n([C@H]2CCS(=O)(=O)C2)n1 ZINC000818842198 597491146 /nfs/dbraw/zinc/49/11/46/597491146.db2.gz ZGQRORRCIKGEGF-QMMMGPOBSA-N -1 0 316.339 -0.243 20 0 DBADRM CS(=O)(=O)NCc1ccc(NC(=O)NCC(=O)[O-])cc1 ZINC000818648316 597491907 /nfs/dbraw/zinc/49/19/07/597491907.db2.gz QPJYTSDJDXWIAG-UHFFFAOYSA-N -1 0 301.324 -0.058 20 0 DBADRM Cn1cc(/C=C\C(=O)N2CC[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000819068006 597497302 /nfs/dbraw/zinc/49/73/02/597497302.db2.gz SPELAQQMTPHLQC-XOULXFPDSA-N -1 0 307.306 -0.970 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000737710318 597497934 /nfs/dbraw/zinc/49/79/34/597497934.db2.gz XBOBMTWRWVRIQD-DJLDLDEBSA-N -1 0 319.335 -0.962 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000819181588 597508005 /nfs/dbraw/zinc/50/80/05/597508005.db2.gz HSYAKBFKRQKVBK-LLVKDONJSA-N -1 0 306.322 -0.073 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000817803384 597508764 /nfs/dbraw/zinc/50/87/64/597508764.db2.gz QSZAAUNCXUEEHH-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCC(=O)NC2CC2)c(F)c1 ZINC000739293418 597515567 /nfs/dbraw/zinc/51/55/67/597515567.db2.gz IMMKVOAZLSTQCW-UHFFFAOYSA-N -1 0 323.280 -0.143 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(-n2cncn2)nc1)C(=O)[O-] ZINC000818017520 597517181 /nfs/dbraw/zinc/51/71/81/597517181.db2.gz ARFAXYNWNKTRJL-ZETCQYMHSA-N -1 0 304.266 -0.810 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccccc1Cn1cncn1)C(=O)[O-] ZINC000818022992 597517920 /nfs/dbraw/zinc/51/79/20/597517920.db2.gz PKXREPSCNCATNF-VIFPVBQESA-N -1 0 317.305 -0.146 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2)C(=O)[O-] ZINC000818018035 597518890 /nfs/dbraw/zinc/51/88/90/597518890.db2.gz JSVMSAFBEXSWNT-LURJTMIESA-N -1 0 307.262 -0.455 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccnc1N1CCOCC1)C(=O)[O-] ZINC000818021986 597520247 /nfs/dbraw/zinc/52/02/47/597520247.db2.gz AWQKSIJNPHYBTJ-VIFPVBQESA-N -1 0 322.321 -0.554 20 0 DBADRM CON(C)C(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000818552526 597520396 /nfs/dbraw/zinc/52/03/96/597520396.db2.gz SFDMYFOOTWLFCY-MRVPVSSYSA-N -1 0 323.305 -0.152 20 0 DBADRM NC(=O)c1ccc(F)c(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000819121031 597522093 /nfs/dbraw/zinc/52/20/93/597522093.db2.gz SASBBIMJFAIHRQ-QMMMGPOBSA-N -1 0 323.280 -0.204 20 0 DBADRM CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000818491075 597523733 /nfs/dbraw/zinc/52/37/33/597523733.db2.gz YFBSHFSPIBAOBT-SNVBAGLBSA-N -1 0 319.317 -0.082 20 0 DBADRM CCN(C(=O)CN1CC[C@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000062133964 597530659 /nfs/dbraw/zinc/53/06/59/597530659.db2.gz HXNRPDBOMZDASD-WDEREUQCSA-N -1 0 318.395 -0.572 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000261696905 597533508 /nfs/dbraw/zinc/53/35/08/597533508.db2.gz NNXDURBZZKTPIZ-SSDOTTSWSA-N -1 0 317.323 -0.318 20 0 DBADRM CCn1c(N)c(C(=O)CN2CC[C@@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000818357474 597535292 /nfs/dbraw/zinc/53/52/92/597535292.db2.gz QECWGMHGDFAUSQ-SSDOTTSWSA-N -1 0 310.310 -0.860 20 0 DBADRM CC(=O)NCCN(CC(=O)Nc1nccs1)[C@@H](C)C(=O)[O-] ZINC000819770417 597676657 /nfs/dbraw/zinc/67/66/57/597676657.db2.gz RJKPFYNUXCVRLJ-QMMMGPOBSA-N -1 0 314.367 -0.007 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000820672820 597685995 /nfs/dbraw/zinc/68/59/95/597685995.db2.gz ABRXOIXFJIZYIA-YUMQZZPRSA-N -1 0 303.315 -0.831 20 0 DBADRM CC(=O)NCCN(C(=O)C[C@H]1COC(=O)C1)[C@@H](C)C(=O)[O-] ZINC000819744687 597686126 /nfs/dbraw/zinc/68/61/26/597686126.db2.gz ZOUURVIJXAGEFW-WCBMZHEXSA-N -1 0 300.311 -0.623 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCn2cncc2C1)[C@@H](C)C(=O)[O-] ZINC000819744259 597686198 /nfs/dbraw/zinc/68/61/98/597686198.db2.gz BYMAKMHMNTVOKA-JQWIXIFHSA-N -1 0 322.365 -0.117 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCn2cncc2C1)[C@H](C)C(=O)[O-] ZINC000819744260 597686232 /nfs/dbraw/zinc/68/62/32/597686232.db2.gz BYMAKMHMNTVOKA-PWSUYJOCSA-N -1 0 322.365 -0.117 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CSC(=O)N1)[C@@H](C)C(=O)[O-] ZINC000819744632 597687316 /nfs/dbraw/zinc/68/73/16/597687316.db2.gz WYKDIBOLSAFLSC-POYBYMJQSA-N -1 0 303.340 -0.751 20 0 DBADRM CCN1CCO[C@H](C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])C1 ZINC000820354214 597689115 /nfs/dbraw/zinc/68/91/15/597689115.db2.gz MYONPOOQDITUJS-JQWIXIFHSA-N -1 0 315.370 -0.855 20 0 DBADRM CC(=O)NCCN(C(=O)C1=NN(C)C(=O)CC1)[C@H](C)C(=O)[O-] ZINC000819744530 597689809 /nfs/dbraw/zinc/68/98/09/597689809.db2.gz RXBRIYMULLYTBF-MRVPVSSYSA-N -1 0 312.326 -0.968 20 0 DBADRM CC(=O)NCCN(C(=O)c1c[nH]c(C)cc1=O)[C@H](C)C(=O)[O-] ZINC000819753298 597690596 /nfs/dbraw/zinc/69/05/96/597690596.db2.gz ZRZBTONRWNMOTD-SECBINFHSA-N -1 0 309.322 -0.265 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)NCCN2CCNC(=O)C2)C1 ZINC000821516577 597697916 /nfs/dbraw/zinc/69/79/16/597697916.db2.gz ROZLVJZQBWTOAU-LLVKDONJSA-N -1 0 312.370 -0.686 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)NCCN1CCNC(=O)C1 ZINC000821557511 597703160 /nfs/dbraw/zinc/70/31/60/597703160.db2.gz UNQRHXKWGYAZLM-UHFFFAOYSA-N -1 0 306.322 -0.062 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000820949267 597714300 /nfs/dbraw/zinc/71/43/00/597714300.db2.gz KEGZLBAJNIECTI-UHFFFAOYSA-N -1 0 321.333 -0.045 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1)C(=O)[O-] ZINC000820108060 597726659 /nfs/dbraw/zinc/72/66/59/597726659.db2.gz VZLDSENGQRLANQ-SSDOTTSWSA-N -1 0 303.278 -0.001 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC(=O)[O-])ccc1N1CCOCC1 ZINC000820996552 597731376 /nfs/dbraw/zinc/73/13/76/597731376.db2.gz FZEJATIKRIHKOP-UHFFFAOYSA-N -1 0 321.333 -0.029 20 0 DBADRM C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CC(=O)NCC(=O)[O-])C2=O ZINC000820235585 597753380 /nfs/dbraw/zinc/75/33/80/597753380.db2.gz PDVGXQWWOQGHEI-RKDXNWHRSA-N -1 0 311.338 -0.066 20 0 DBADRM C[C@@]1(c2ccccc2)CC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000315181408 597762731 /nfs/dbraw/zinc/76/27/31/597762731.db2.gz JKHQOTUVRAXGAK-HNNXBMFYSA-N -1 0 304.302 -0.096 20 0 DBADRM C[C@@H]1CN(C[C@H]2CCCN2CC(=O)NCC(=O)[O-])C[C@@H](C)O1 ZINC000820251778 597772742 /nfs/dbraw/zinc/77/27/42/597772742.db2.gz JHFUKKDDWKNGGH-JHJVBQTASA-N -1 0 313.398 -0.239 20 0 DBADRM Cc1noc(C)c1CN1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000821235293 597794896 /nfs/dbraw/zinc/79/48/96/597794896.db2.gz DQOKZNABYZWZNV-UHFFFAOYSA-N -1 0 310.354 -0.390 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000821530963 597799613 /nfs/dbraw/zinc/79/96/13/597799613.db2.gz SNAMPDBASHSLPP-JTQLQIEISA-N -1 0 307.354 -0.007 20 0 DBADRM CS(=O)(=O)C[C@@H](NCC(=O)NCC(=O)[O-])c1ccccc1 ZINC000820886112 597809469 /nfs/dbraw/zinc/80/94/69/597809469.db2.gz VTTWVDQSRBIZID-LLVKDONJSA-N -1 0 314.363 -0.437 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CNC(=O)c1cccs1 ZINC000821531321 597825054 /nfs/dbraw/zinc/82/50/54/597825054.db2.gz GRPUDVUWQXUPKP-UHFFFAOYSA-N -1 0 300.292 -0.778 20 0 DBADRM CC(=O)NCc1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1 ZINC000819781908 597825836 /nfs/dbraw/zinc/82/58/36/597825836.db2.gz ZDVGBIAQCXMZIH-UHFFFAOYSA-N -1 0 308.290 -0.320 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000821532606 597826366 /nfs/dbraw/zinc/82/63/66/597826366.db2.gz UQSGJRSSEGSQIZ-UHFFFAOYSA-N -1 0 308.246 -0.625 20 0 DBADRM CC(C)C(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000819955499 597837158 /nfs/dbraw/zinc/83/71/58/597837158.db2.gz YNTAGENRTCJJAL-SNVBAGLBSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1)C(=O)[O-] ZINC000820115117 598094599 /nfs/dbraw/zinc/09/45/99/598094599.db2.gz UBDWVAWCIQSEHS-VIFPVBQESA-N -1 0 317.305 -0.146 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)NCCCCC(=O)[O-])CC1 ZINC000400202610 598166259 /nfs/dbraw/zinc/16/62/59/598166259.db2.gz RSUCLYBDTFAWDF-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NCCc1nnc[nH]1 ZINC000821539998 598171006 /nfs/dbraw/zinc/17/10/06/598171006.db2.gz VXYWGDMYFIEVBL-UHFFFAOYSA-N -1 0 317.305 -0.271 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820353822 598172812 /nfs/dbraw/zinc/17/28/12/598172812.db2.gz FFHQAVXEYGHXJU-QMMMGPOBSA-N -1 0 307.306 -0.036 20 0 DBADRM COCCNC(=O)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820730333 598173102 /nfs/dbraw/zinc/17/31/02/598173102.db2.gz QMMRGPBBRPAFMY-UHFFFAOYSA-N -1 0 323.305 -0.798 20 0 DBADRM COC(=O)CCN1CCN(C(=O)CSCC(=O)[O-])[C@@H](C)C1 ZINC000820668016 598176035 /nfs/dbraw/zinc/17/60/35/598176035.db2.gz JGNNLYQBTLKMED-JTQLQIEISA-N -1 0 318.395 -0.100 20 0 DBADRM O=C([O-])CCNC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000821525596 598190033 /nfs/dbraw/zinc/19/00/33/598190033.db2.gz WQMAZHCHAONFPU-CABZTGNLSA-N -1 0 320.367 -0.503 20 0 DBADRM CC(C)C[C@@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000817884353 598195187 /nfs/dbraw/zinc/19/51/87/598195187.db2.gz ZGELFUHIXYSZRP-SECBINFHSA-N -1 0 318.355 -0.854 20 0 DBADRM CC(C)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC000819972381 598195193 /nfs/dbraw/zinc/19/51/93/598195193.db2.gz GQAPDWZTIMKPPP-VIFPVBQESA-N -1 0 315.351 -0.042 20 0 DBADRM COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)CSCC(=O)[O-] ZINC000820653938 598205234 /nfs/dbraw/zinc/20/52/34/598205234.db2.gz UAMKHHUEBDDXDA-RKDXNWHRSA-N -1 0 305.352 -0.017 20 0 DBADRM COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)CSCC(=O)[O-] ZINC000820653934 598205321 /nfs/dbraw/zinc/20/53/21/598205321.db2.gz UAMKHHUEBDDXDA-DTWKUNHWSA-N -1 0 305.352 -0.017 20 0 DBADRM CO[C@@H](C)CCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736958943 598353243 /nfs/dbraw/zinc/35/32/43/598353243.db2.gz YVFIQQYJXFUUFZ-ZETCQYMHSA-N -1 0 309.330 -0.899 20 0 DBADRM O=C(COc1ccc(-c2nn[nH]n2)cc1)NCc1nnn[n-]1 ZINC000095173048 598625375 /nfs/dbraw/zinc/62/53/75/598625375.db2.gz LBVGPPLJZLKEIF-UHFFFAOYSA-N -1 0 301.270 -0.925 20 0 DBADRM CCNC(=O)Cn1nc(CC)c(CC)c(-c2nnn[n-]2)c1=O ZINC000736575245 598641353 /nfs/dbraw/zinc/64/13/53/598641353.db2.gz DBYGCQLABRDAED-UHFFFAOYSA-N -1 0 305.342 -0.316 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737013330 598739997 /nfs/dbraw/zinc/73/99/97/598739997.db2.gz FBSWJTFPKZEJKO-UHFFFAOYSA-N -1 0 311.323 -0.427 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@H]2CC2(C)C)n(C)c1=O ZINC000737596421 598789232 /nfs/dbraw/zinc/78/92/32/598789232.db2.gz NNBGVPCVUDGGJI-SSDOTTSWSA-N -1 0 305.342 -0.278 20 0 DBADRM CC(C)[C@@H](C)N(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000735702641 598813638 /nfs/dbraw/zinc/81/36/38/598813638.db2.gz PVUOZPHGOSSQEC-MRVPVSSYSA-N -1 0 307.358 -0.255 20 0 DBADRM O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)c1cc(=O)[nH][n-]1 ZINC000823519172 599469692 /nfs/dbraw/zinc/46/96/92/599469692.db2.gz CNEJMUFETMISNL-UHFFFAOYSA-N -1 0 315.293 -0.762 20 0 DBADRM COC[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(C)C ZINC000821683999 599587629 /nfs/dbraw/zinc/58/76/29/599587629.db2.gz PSTRHMMNWNSSLD-QMMMGPOBSA-N -1 0 323.357 -0.653 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)CCNC(=O)[O-])s1 ZINC000739190914 599711256 /nfs/dbraw/zinc/71/12/56/599711256.db2.gz WIRHHEMIPHPTBT-UHFFFAOYSA-N -1 0 307.353 -0.331 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)OCC(=O)NC(=O)NCC(F)(F)F ZINC000739322637 599700848 /nfs/dbraw/zinc/70/08/48/599700848.db2.gz SVOPLBLWVCKKKN-RFZPGFLSSA-N -1 0 312.200 -0.362 20 0 DBADRM COC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000261620867 599713425 /nfs/dbraw/zinc/71/34/25/599713425.db2.gz CDSQYFZVFLTGKD-QMMMGPOBSA-N -1 0 317.319 -0.010 20 0 DBADRM CN(C(C)(C)C(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000061151876 599714555 /nfs/dbraw/zinc/71/45/55/599714555.db2.gz NYIJVXUPMVRDDP-UHFFFAOYSA-N -1 0 303.340 -0.392 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)CCCNC(=O)[O-] ZINC000736262177 599721072 /nfs/dbraw/zinc/72/10/72/599721072.db2.gz FGGBKEWJYDEHEW-UHFFFAOYSA-N -1 0 309.388 -0.132 20 0 DBADRM Cn1cccc1C(=O)N1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000739042952 599722709 /nfs/dbraw/zinc/72/27/09/599722709.db2.gz LHMDERDRXOXPHB-UHFFFAOYSA-N -1 0 308.338 -0.033 20 0 DBADRM O=C([O-])CCN1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000063155476 599729211 /nfs/dbraw/zinc/72/92/11/599729211.db2.gz AGYZGYLBKRYVDT-LLVKDONJSA-N -1 0 306.384 -0.413 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000737121118 599730680 /nfs/dbraw/zinc/73/06/80/599730680.db2.gz GEFDCGQRFMEKSV-UHFFFAOYSA-N -1 0 300.359 -0.687 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000736332283 599731888 /nfs/dbraw/zinc/73/18/88/599731888.db2.gz TWSAFDUPBPOGKC-UHFFFAOYSA-N -1 0 315.351 -0.004 20 0 DBADRM CCN(CCCNC(=O)C(C)(C)NC(=O)[O-])S(C)(=O)=O ZINC000737101166 599737356 /nfs/dbraw/zinc/73/73/56/599737356.db2.gz WZOMRCJWTUOIMT-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM CN(CCCC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000737420847 599741035 /nfs/dbraw/zinc/74/10/35/599741035.db2.gz AOLIYQJRIIRXPA-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM CCc1[nH]c(C(=O)N2CCN(CC(N)=O)CC2)c(C)c1C(=O)[O-] ZINC000737240049 599741547 /nfs/dbraw/zinc/74/15/47/599741547.db2.gz FFZMWEIKAMXWBZ-UHFFFAOYSA-N -1 0 322.365 -0.173 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H](CO)C(=O)[O-])ccc1Cl ZINC000029476370 599742633 /nfs/dbraw/zinc/74/26/33/599742633.db2.gz QRCSWNKKSMTNME-ZETCQYMHSA-N -1 0 322.726 -0.837 20 0 DBADRM O=C([O-])NCCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000739940683 599743562 /nfs/dbraw/zinc/74/35/62/599743562.db2.gz YFMCYVXQUHKLSM-NSHDSACASA-N -1 0 313.354 -0.259 20 0 DBADRM CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000738176373 599744429 /nfs/dbraw/zinc/74/44/29/599744429.db2.gz WOGKINZFXWTVON-SECBINFHSA-N -1 0 321.738 -0.081 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000737580528 599745435 /nfs/dbraw/zinc/74/54/35/599745435.db2.gz VNTCAMRDZUHJJX-NSHDSACASA-N -1 0 320.301 -0.010 20 0 DBADRM NS(=O)(=O)c1cccc(CNC(=O)CCCNC(=O)[O-])c1 ZINC000739200153 599745681 /nfs/dbraw/zinc/74/56/81/599745681.db2.gz FQHOGWPBLSGEOO-UHFFFAOYSA-N -1 0 315.351 -0.002 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000737223138 599746310 /nfs/dbraw/zinc/74/63/10/599746310.db2.gz XHFCPRDDQHWLGQ-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM O=C([O-])NCCC(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000739937780 599748092 /nfs/dbraw/zinc/74/80/92/599748092.db2.gz MQUGMLSDINXLQR-UHFFFAOYSA-N -1 0 311.342 -0.455 20 0 DBADRM O=C([O-])CSCCC(=O)NCC(=O)NCC(F)(F)F ZINC000739845432 599748148 /nfs/dbraw/zinc/74/81/48/599748148.db2.gz LHTOCBQLHAHBBP-UHFFFAOYSA-N -1 0 302.274 -0.011 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CNC(=O)CC1CCCC1 ZINC000739814942 599749612 /nfs/dbraw/zinc/74/96/12/599749612.db2.gz ZHRZGHJMFZZPKJ-UHFFFAOYSA-N -1 0 300.311 -0.573 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1nc2nccc(C)n2n1 ZINC000737614165 599754529 /nfs/dbraw/zinc/75/45/29/599754529.db2.gz WMZPRAAQKBODER-UHFFFAOYSA-N -1 0 307.266 -0.867 20 0 DBADRM NC(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000059398769 599758180 /nfs/dbraw/zinc/75/81/80/599758180.db2.gz UJLGSCUMSWPCBI-LLVKDONJSA-N -1 0 304.306 -0.052 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC000737349760 599758516 /nfs/dbraw/zinc/75/85/16/599758516.db2.gz KIHYFZLWWVYMJK-VIFPVBQESA-N -1 0 309.326 -0.090 20 0 DBADRM NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000738439120 599764092 /nfs/dbraw/zinc/76/40/92/599764092.db2.gz AHPFCYRGUIHZPU-UHFFFAOYSA-N -1 0 320.349 -0.574 20 0 DBADRM Cc1nnc2ccc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])cn12 ZINC000738931621 599769648 /nfs/dbraw/zinc/76/96/48/599769648.db2.gz KWZURJLVPYOXKR-SNVBAGLBSA-N -1 0 317.305 -0.547 20 0 DBADRM C[C@H](CNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)C(=O)[O-] ZINC000736592614 599774157 /nfs/dbraw/zinc/77/41/57/599774157.db2.gz CUXKTUWUOUYNEQ-SKDRFNHKSA-N -1 0 318.333 -0.057 20 0 DBADRM C[C@@H](CNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)C(=O)[O-] ZINC000736592612 599774249 /nfs/dbraw/zinc/77/42/49/599774249.db2.gz CUXKTUWUOUYNEQ-CABZTGNLSA-N -1 0 318.333 -0.057 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000054310581 599777201 /nfs/dbraw/zinc/77/72/01/599777201.db2.gz SWDXYWJTMRVVSU-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737764065 599779601 /nfs/dbraw/zinc/77/96/01/599779601.db2.gz CPPZDVRCMIMTDG-ZETCQYMHSA-N -1 0 320.323 -0.511 20 0 DBADRM C[C@@H](OC(=O)c1ccc(N2CCCC2)nn1)C(=O)NCC(=O)[O-] ZINC000736692580 599784174 /nfs/dbraw/zinc/78/41/74/599784174.db2.gz WTGWEOOPZBKQTN-SECBINFHSA-N -1 0 322.321 -0.177 20 0 DBADRM Cc1ccn2ncc(C(=O)OCC(=O)NCCC(=O)[O-])c2n1 ZINC000738793122 599787628 /nfs/dbraw/zinc/78/76/28/599787628.db2.gz RAJWINGIHJUQDT-UHFFFAOYSA-N -1 0 306.278 -0.215 20 0 DBADRM O=C([O-])CCCCNC(=O)NCCCN1CCCS1(=O)=O ZINC000739670695 599796107 /nfs/dbraw/zinc/79/61/07/599796107.db2.gz CJKXTGFXCWPSKE-UHFFFAOYSA-N -1 0 321.399 -0.034 20 0 DBADRM CN(CCCC(=O)NC1CCN(CC(N)=O)CC1)C(=O)[O-] ZINC000737420849 599806742 /nfs/dbraw/zinc/80/67/42/599806742.db2.gz AOUIKPDFLZOMCS-UHFFFAOYSA-N -1 0 300.359 -0.558 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)CCS(C)(=O)=O ZINC000736199985 599810023 /nfs/dbraw/zinc/81/00/23/599810023.db2.gz LPTMEYLJFWRPCL-JTQLQIEISA-N -1 0 320.411 -0.326 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)CCS(C)(=O)=O ZINC000736199987 599810203 /nfs/dbraw/zinc/81/02/03/599810203.db2.gz LPTMEYLJFWRPCL-SNVBAGLBSA-N -1 0 320.411 -0.326 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000737539406 599814621 /nfs/dbraw/zinc/81/46/21/599814621.db2.gz DWIAIOYDGRZOQL-GFCCVEGCSA-N -1 0 314.386 -0.395 20 0 DBADRM O=C([O-])c1ncn(CC(=O)NC[C@H]2COc3ccccc3O2)n1 ZINC000739360395 599824963 /nfs/dbraw/zinc/82/49/63/599824963.db2.gz DBHSODATWOHFBQ-VIFPVBQESA-N -1 0 318.289 -0.068 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000737120969 599842562 /nfs/dbraw/zinc/84/25/62/599842562.db2.gz AJWLATGEOWIBRI-GFCCVEGCSA-N -1 0 314.386 -0.441 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000737370394 599847021 /nfs/dbraw/zinc/84/70/21/599847021.db2.gz JCWNXTYDOMIOCH-UHFFFAOYSA-N -1 0 317.367 -0.098 20 0 DBADRM C[C@H](NC(=O)COC(=O)CCCN(C)C(=O)[O-])C(=O)N(C)C ZINC000736638499 599872561 /nfs/dbraw/zinc/87/25/61/599872561.db2.gz GAWSYBDHWZNYPZ-VIFPVBQESA-N -1 0 317.342 -0.488 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736152283 599876437 /nfs/dbraw/zinc/87/64/37/599876437.db2.gz LAINOUDKFRAPKG-UHFFFAOYSA-N -1 0 321.333 -0.105 20 0 DBADRM O=C([O-])c1coc(COC(=O)CN2CCS(=O)(=O)CC2)c1 ZINC000739295365 599882994 /nfs/dbraw/zinc/88/29/94/599882994.db2.gz RSQOTLAWNNFWLP-UHFFFAOYSA-N -1 0 317.319 -0.249 20 0 DBADRM CS(=O)(=O)CCNC(=S)NCCSCC(=O)[O-] ZINC000738153124 599884135 /nfs/dbraw/zinc/88/41/35/599884135.db2.gz KYUKXKAMLQKEPN-UHFFFAOYSA-N -1 0 300.427 -0.687 20 0 DBADRM O=C([O-])CSCCNC(=O)CCCN1C(=O)CCC1=O ZINC000739859641 599890067 /nfs/dbraw/zinc/89/00/67/599890067.db2.gz SSLGFIZOVVZMSP-UHFFFAOYSA-N -1 0 302.352 -0.150 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NCCSCC(=O)[O-])C1=O ZINC000389434916 599892939 /nfs/dbraw/zinc/89/29/39/599892939.db2.gz BQVNJIYRHRHLPJ-UHFFFAOYSA-N -1 0 303.340 -0.749 20 0 DBADRM Cc1ccc(CN2C[C@H](C(=O)N[C@H](CO)C(=O)[O-])CC2=O)cc1 ZINC000738594872 599896979 /nfs/dbraw/zinc/89/69/79/599896979.db2.gz VEXFQDDESPLCJZ-CHWSQXEVSA-N -1 0 320.345 -0.095 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cc2csc(-c3nc[nH]n3)n2)CCO1 ZINC000738546911 599903607 /nfs/dbraw/zinc/90/36/07/599903607.db2.gz UKQFNOWESWMGQN-QMMMGPOBSA-N -1 0 323.334 -0.217 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)NCCSCC(=O)[O-] ZINC000736820143 599906186 /nfs/dbraw/zinc/90/61/86/599906186.db2.gz AGKNJAZEXSYWEK-SNVBAGLBSA-N -1 0 305.400 -0.176 20 0 DBADRM O=C([O-])CSCCNC(=O)NCCCN1CCOC1=O ZINC000739861357 599906470 /nfs/dbraw/zinc/90/64/70/599906470.db2.gz VQTWTXNTAMMUKV-UHFFFAOYSA-N -1 0 305.356 -0.054 20 0 DBADRM O=C([O-])C1(NC(=O)CN2CCn3cnnc3C2)CCCCC1 ZINC000739295202 599918517 /nfs/dbraw/zinc/91/85/17/599918517.db2.gz NKEVTZMKAOXXEL-UHFFFAOYSA-N -1 0 307.354 -0.003 20 0 DBADRM Cc1cc(C)n(C[C@H]2CN(CC(=O)NCCC(=O)[O-])CCO2)n1 ZINC000738367786 599919702 /nfs/dbraw/zinc/91/97/02/599919702.db2.gz ADJIUKWBEAQZHX-CYBMUJFWSA-N -1 0 324.381 -0.208 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(C[C@@H](C)O)CC1)C(=O)[O-] ZINC000736886022 599921098 /nfs/dbraw/zinc/92/10/98/599921098.db2.gz OLXMZTVMSQFUIQ-OUCADQQQSA-N -1 0 315.414 -0.400 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN(C)C[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC000736414699 599923595 /nfs/dbraw/zinc/92/35/95/599923595.db2.gz ZVNXIFXRGLWGAL-QWHCGFSZSA-N -1 0 315.414 -0.136 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN(C)C[C@H]1CN(C)CCO1)C(=O)[O-] ZINC000736880220 599923784 /nfs/dbraw/zinc/92/37/84/599923784.db2.gz UXUJXGBYKBITOC-SCRDCRAPSA-N -1 0 315.414 -0.136 20 0 DBADRM C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000820334760 607407299 /nfs/dbraw/zinc/40/72/99/607407299.db2.gz PQWUKTAUHZHSKH-ZETCQYMHSA-N -1 0 322.329 -0.695 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])s1 ZINC000739177638 599928325 /nfs/dbraw/zinc/92/83/25/599928325.db2.gz PXRWLDJTLLRFHM-ZCFIWIBFSA-N -1 0 311.319 -0.738 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])s1 ZINC000739177634 599928344 /nfs/dbraw/zinc/92/83/44/599928344.db2.gz PXRWLDJTLLRFHM-LURJTMIESA-N -1 0 311.319 -0.738 20 0 DBADRM CN(C)C(=O)N1CCC(C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000387069342 599941804 /nfs/dbraw/zinc/94/18/04/599941804.db2.gz UCPNKHBTBJGZMY-NSHDSACASA-N -1 0 313.354 -0.308 20 0 DBADRM NC(=O)COc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000261970253 599945216 /nfs/dbraw/zinc/94/52/16/599945216.db2.gz PZJHDBZOZZDKEO-LLVKDONJSA-N -1 0 308.290 -0.524 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000736673351 599946231 /nfs/dbraw/zinc/94/62/31/599946231.db2.gz VJJQYNUGOXUAMW-ZCFIWIBFSA-N -1 0 302.308 -0.033 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000737614282 599953368 /nfs/dbraw/zinc/95/33/68/599953368.db2.gz AYADRQADDCIQQC-CYBMUJFWSA-N -1 0 313.310 -0.776 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)N[C@@H](CC(C)C)C1=O ZINC000737615774 599953485 /nfs/dbraw/zinc/95/34/85/599953485.db2.gz QLVGEPPSTZAJQQ-VIFPVBQESA-N -1 0 315.326 -0.530 20 0 DBADRM Cn1cc(CN2CCN(Cn3cnc(C(=O)[O-])n3)CC2)cn1 ZINC000739035695 599955076 /nfs/dbraw/zinc/95/50/76/599955076.db2.gz YMQFQSWJLMCGJN-UHFFFAOYSA-N -1 0 305.342 -0.515 20 0 DBADRM COc1ccc2c(c1)N(CN1CCO[C@H](C(=O)[O-])C1)C(=O)C2=O ZINC000738079584 599956893 /nfs/dbraw/zinc/95/68/93/599956893.db2.gz GFBMJUADHOPRMH-LBPRGKRZSA-N -1 0 320.301 -0.033 20 0 DBADRM NC(=O)c1ccccc1NC(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000315352630 599971263 /nfs/dbraw/zinc/97/12/63/599971263.db2.gz PBLQNHSRCBAMKX-NSHDSACASA-N -1 0 307.306 -0.491 20 0 DBADRM CC(C)CNC(=O)NC(=O)[C@H](C)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736440670 599971731 /nfs/dbraw/zinc/97/17/31/599971731.db2.gz UMZIUCBRNMZCMS-VHSXEESVSA-N -1 0 301.343 -0.358 20 0 DBADRM C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736211359 599973074 /nfs/dbraw/zinc/97/30/74/599973074.db2.gz KHJIHGLELUTWQQ-RKDXNWHRSA-N -1 0 301.343 -0.215 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])CCO1 ZINC000737586841 599975284 /nfs/dbraw/zinc/97/52/84/599975284.db2.gz JRXFEXPQBSCROD-WDEREUQCSA-N -1 0 316.354 -0.524 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC000316200028 599980920 /nfs/dbraw/zinc/98/09/20/599980920.db2.gz VAAKQFNSABHTHH-IJLUTSLNSA-N -1 0 311.382 -0.234 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC000316200032 599981867 /nfs/dbraw/zinc/98/18/67/599981867.db2.gz VAAKQFNSABHTHH-UTUOFQBUSA-N -1 0 311.382 -0.234 20 0 DBADRM CC1CCC(NC(=O)CN2CCNC(=O)[C@H]2CC(=O)[O-])CC1 ZINC000315431878 599982482 /nfs/dbraw/zinc/98/24/82/599982482.db2.gz PIFGRWSRUDMPCH-HTAVTVPLSA-N -1 0 311.382 -0.044 20 0 DBADRM COC(=O)C1C(=CC(=O)[O-])NC(=S)N[C@H]1c1csnn1 ZINC000737578565 599985746 /nfs/dbraw/zinc/98/57/46/599985746.db2.gz FEQFABRUOOJQRP-QMMMGPOBSA-N -1 0 314.348 -0.041 20 0 DBADRM O=C([O-])c1ccc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)cn1 ZINC000740303474 599987220 /nfs/dbraw/zinc/98/72/20/599987220.db2.gz KCGHLGQTSNPNLM-SNVBAGLBSA-N -1 0 303.274 -0.201 20 0 DBADRM CC(C)CN(C(=O)CN(C)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000736437553 599997782 /nfs/dbraw/zinc/99/77/82/599997782.db2.gz LMXWPPAKIOZXDF-LLVKDONJSA-N -1 0 320.411 -0.326 20 0 DBADRM CCOC(=O)N(C)C1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000737145292 599999465 /nfs/dbraw/zinc/99/94/65/599999465.db2.gz WGZRZNCWJHDKNS-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(-n2ccnc2)nn1 ZINC000737609269 600007616 /nfs/dbraw/zinc/00/76/16/600007616.db2.gz VPSYOMGSHAPTKX-UHFFFAOYSA-N -1 0 319.277 -0.638 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000737602954 600008089 /nfs/dbraw/zinc/00/80/89/600008089.db2.gz CFWCJNMBQCBCHA-QMMMGPOBSA-N -1 0 318.326 -0.014 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(C(N)=O)s1 ZINC000737608329 600008427 /nfs/dbraw/zinc/00/84/27/600008427.db2.gz BEJKAXMVJAQBMH-UHFFFAOYSA-N -1 0 300.292 -0.453 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000737604291 600010216 /nfs/dbraw/zinc/01/02/16/600010216.db2.gz IYJDYFNNTPKPSS-QMMMGPOBSA-N -1 0 312.278 -0.516 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000737604287 600010454 /nfs/dbraw/zinc/01/04/54/600010454.db2.gz IYJDYFNNTPKPSS-MRVPVSSYSA-N -1 0 312.278 -0.516 20 0 DBADRM COC(=O)CN(CCN1C(=O)c2ccccc2C1=O)CC(=O)[O-] ZINC000737619288 600013914 /nfs/dbraw/zinc/01/39/14/600013914.db2.gz GVMFXWCISYZMJQ-UHFFFAOYSA-N -1 0 320.301 -0.158 20 0 DBADRM CCN(CC(=O)[O-])C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000737076602 600025977 /nfs/dbraw/zinc/02/59/77/600025977.db2.gz WLLQMZZIMOIQCM-UHFFFAOYSA-N -1 0 322.321 -0.878 20 0 DBADRM CCn1ccnc1Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000737302599 600029529 /nfs/dbraw/zinc/02/95/29/600029529.db2.gz GOZPKPRMMMMBMO-UHFFFAOYSA-N -1 0 302.294 -0.058 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cn(C)c(C)n1 ZINC000737576672 600035036 /nfs/dbraw/zinc/03/50/36/600035036.db2.gz UGGJDOFEAXEGSM-SSDOTTSWSA-N -1 0 305.312 -0.977 20 0 DBADRM NC(=O)c1cccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000738446687 600035840 /nfs/dbraw/zinc/03/58/40/600035840.db2.gz CZMFPNWAOKHAQZ-LLVKDONJSA-N -1 0 307.306 -0.220 20 0 DBADRM CC(=O)NC1CCC(NC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000736149813 600039650 /nfs/dbraw/zinc/03/96/50/600039650.db2.gz PFURURHKFRDYFB-MCIGGMRASA-N -1 0 313.354 -0.071 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCCN2CCOC2=O)CCO1 ZINC000738546852 600041166 /nfs/dbraw/zinc/04/11/66/600041166.db2.gz QYEPZIOYRBKQDA-VIFPVBQESA-N -1 0 301.299 -0.676 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000736152640 600042253 /nfs/dbraw/zinc/04/22/53/600042253.db2.gz RAVXZBLMLUNWFV-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)ccc1C(=O)[O-] ZINC000738405629 600047148 /nfs/dbraw/zinc/04/71/48/600047148.db2.gz FITUDACWIWBDFY-SECBINFHSA-N -1 0 319.317 -0.034 20 0 DBADRM CN(C)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000737376811 600055237 /nfs/dbraw/zinc/05/52/37/600055237.db2.gz XLJIUWICVAMZQS-SNVBAGLBSA-N -1 0 322.321 -0.602 20 0 DBADRM COc1ccc(-n2cnnc2SCC(=O)NCC(=O)[O-])cn1 ZINC000737918183 600059441 /nfs/dbraw/zinc/05/94/41/600059441.db2.gz XDTVDEYRGVZCJH-UHFFFAOYSA-N -1 0 323.334 -0.036 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)c1ccc(C(=O)[O-])cn1 ZINC000233526290 600072055 /nfs/dbraw/zinc/07/20/55/600072055.db2.gz NJWHTWJRZWNNSU-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM NC(=O)CN1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000739163405 600065942 /nfs/dbraw/zinc/06/59/42/600065942.db2.gz RAGDISBYKUGNJH-UHFFFAOYSA-N -1 0 319.361 -0.053 20 0 DBADRM CCOC(=O)N1CCC(NC(=O)CN(C)CC(=O)[O-])CC1 ZINC000737144229 600068659 /nfs/dbraw/zinc/06/86/59/600068659.db2.gz LQTGLAGPEJHXSH-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM NC(=O)CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000739163892 600071500 /nfs/dbraw/zinc/07/15/00/600071500.db2.gz WDDMFUQUSYMXIM-ZJUUUORDSA-N -1 0 305.290 -0.439 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000737123117 600072155 /nfs/dbraw/zinc/07/21/55/600072155.db2.gz UJIYSLHAZYBLDN-UHFFFAOYSA-N -1 0 317.367 -0.001 20 0 DBADRM O=C([O-])NCCCC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000739960552 600073581 /nfs/dbraw/zinc/07/35/81/600073581.db2.gz XQJIRVWYJSDGIR-UHFFFAOYSA-N -1 0 321.399 -0.130 20 0 DBADRM O=C([O-])CCN1CCN(S(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC000739727758 600083504 /nfs/dbraw/zinc/08/35/04/600083504.db2.gz CJKYEUVGHHJETH-LLVKDONJSA-N -1 0 306.384 -0.555 20 0 DBADRM Cc1cc(CN2CCN(CC(=O)NCCC(=O)[O-])CC2)no1 ZINC000738384863 600077999 /nfs/dbraw/zinc/07/79/99/600077999.db2.gz HZAQQGACQQATOG-UHFFFAOYSA-N -1 0 310.354 -0.308 20 0 DBADRM CN(CCc1ccccn1)C(=O)CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000737447029 600090665 /nfs/dbraw/zinc/09/06/65/600090665.db2.gz GFLZULHHECVKGJ-NEPJUHHUSA-N -1 0 305.334 -0.081 20 0 DBADRM CN(CCc1ccccn1)C(=O)CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000737447031 600090807 /nfs/dbraw/zinc/09/08/07/600090807.db2.gz GFLZULHHECVKGJ-RYUDHWBXSA-N -1 0 305.334 -0.081 20 0 DBADRM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000110662594 600095185 /nfs/dbraw/zinc/09/51/85/600095185.db2.gz GVAKVWQEHCUWBC-ZCFIWIBFSA-N -1 0 304.349 -0.045 20 0 DBADRM CCCCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000736996226 600105503 /nfs/dbraw/zinc/10/55/03/600105503.db2.gz UUFRBFBMPZUBNM-VXGBXAGGSA-N -1 0 311.382 -0.232 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000736211824 600106847 /nfs/dbraw/zinc/10/68/47/600106847.db2.gz PDUHAANNGNDWRR-ADEWGFFLSA-N -1 0 309.366 -0.482 20 0 DBADRM CN1CCN(C(=O)C2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)CC1 ZINC000737514910 600110259 /nfs/dbraw/zinc/11/02/59/600110259.db2.gz DJJAVYSAJLBECB-OLZOCXBDSA-N -1 0 323.393 -0.280 20 0 DBADRM CCOc1cccc(N2CCN(CC(=O)NCC(=O)[O-])CC2)n1 ZINC000737212191 600111906 /nfs/dbraw/zinc/11/19/06/600111906.db2.gz ASSYACGDEQZXPF-UHFFFAOYSA-N -1 0 322.365 -0.197 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000037830780 600112136 /nfs/dbraw/zinc/11/21/36/600112136.db2.gz HQOAHKOUVCQMCR-GUBZILKMSA-N -1 0 304.368 -0.363 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000739547535 600113064 /nfs/dbraw/zinc/11/30/64/600113064.db2.gz KARTYPJCDDOYFZ-VXGBXAGGSA-N -1 0 319.365 -0.565 20 0 DBADRM O=C([O-])NCC(=O)N(CCCO)S(=O)(=O)c1cccs1 ZINC000739929014 600130742 /nfs/dbraw/zinc/13/07/42/600130742.db2.gz UNIFJZSKZSUBAC-UHFFFAOYSA-N -1 0 322.364 -0.085 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000737642527 600138829 /nfs/dbraw/zinc/13/88/29/600138829.db2.gz GHEBYFWFRVZQEK-NEPJUHHUSA-N -1 0 322.317 -0.069 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000740056756 600139427 /nfs/dbraw/zinc/13/94/27/600139427.db2.gz KONYBYIRPUPEMH-VOAKCMCISA-N -1 0 312.366 -0.324 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000739293565 600140504 /nfs/dbraw/zinc/14/05/04/600140504.db2.gz MXSHSLMCYJKGSW-MNOVXSKESA-N -1 0 322.317 -0.449 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000740306013 600141227 /nfs/dbraw/zinc/14/12/27/600141227.db2.gz QJWWBPRLLQIRGI-SKDRFNHKSA-N -1 0 319.317 -0.509 20 0 DBADRM O=C([O-])c1coc(C(=O)COC(=O)C2CC(=O)NC(=O)C2)c1 ZINC000740304229 600143812 /nfs/dbraw/zinc/14/38/12/600143812.db2.gz QNRNYONJHOHMRX-UHFFFAOYSA-N -1 0 309.230 -0.244 20 0 DBADRM CC(C)[C@@H](C)NC(=O)CN(CCN1CCOCC1)CC(=O)[O-] ZINC000736350831 600145481 /nfs/dbraw/zinc/14/54/81/600145481.db2.gz AKUKHZUBDVMVLZ-CYBMUJFWSA-N -1 0 315.414 -0.134 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cn1ncc2ccccc21 ZINC000739633970 600151052 /nfs/dbraw/zinc/15/10/52/600151052.db2.gz KJVMOSLVDWSGSV-LBPRGKRZSA-N -1 0 316.317 -0.162 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000736333991 600154841 /nfs/dbraw/zinc/15/48/41/600154841.db2.gz VWYXDEIENXWHBH-UHFFFAOYSA-N -1 0 322.321 -0.114 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000739543585 600159459 /nfs/dbraw/zinc/15/94/59/600159459.db2.gz BQMNOHUQUGHYAS-STQMWFEESA-N -1 0 323.393 -0.136 20 0 DBADRM CCCCS(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000586108235 600161376 /nfs/dbraw/zinc/16/13/76/600161376.db2.gz IPNJYMZRLCRTAT-UHFFFAOYSA-N -1 0 308.400 -0.165 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000736133585 600169907 /nfs/dbraw/zinc/16/99/07/600169907.db2.gz AEKXUUNPCVOJKJ-INTQDDNPSA-N -1 0 312.322 -0.671 20 0 DBADRM C[C@H](OC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC000736685333 600170277 /nfs/dbraw/zinc/17/02/77/600170277.db2.gz OALVFULELOISFX-FXBDTBDDSA-N -1 0 312.322 -0.624 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(N)=O ZINC000231035043 600170923 /nfs/dbraw/zinc/17/09/23/600170923.db2.gz IVRJSUBJEHTZJV-VIFPVBQESA-N -1 0 307.372 -0.873 20 0 DBADRM Cc1cc(C)n(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])n1 ZINC000738367905 600171148 /nfs/dbraw/zinc/17/11/48/600171148.db2.gz CMRZPQVEJHZNRV-UHFFFAOYSA-N -1 0 324.381 -0.255 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCn1c(C)csc1=O ZINC000737606247 600171383 /nfs/dbraw/zinc/17/13/83/600171383.db2.gz VAVCIHDQGMGHKX-UHFFFAOYSA-N -1 0 316.335 -0.305 20 0 DBADRM O=C(COC(=O)[C@@H]1C[C@@H]1C(=O)[O-])NCCCN1CCCC1=O ZINC000739320197 600173456 /nfs/dbraw/zinc/17/34/56/600173456.db2.gz MGJQGAOIGGLVSZ-VHSXEESVSA-N -1 0 312.322 -0.621 20 0 DBADRM COC(=O)C1CCN(C(=O)COC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000737582772 600174502 /nfs/dbraw/zinc/17/45/02/600174502.db2.gz DDZQNCGVFFZTNE-UWVGGRQHSA-N -1 0 313.306 -0.338 20 0 DBADRM O=C([O-])CN(Cc1ccccc1)C(=O)CN1CC(=O)NC1=O ZINC000738607858 600174857 /nfs/dbraw/zinc/17/48/57/600174857.db2.gz ZJHWEJDFUJIWCS-UHFFFAOYSA-N -1 0 305.290 -0.348 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000737748347 600175745 /nfs/dbraw/zinc/17/57/45/600175745.db2.gz NERBDBBRLXECAE-FXQIFTODSA-N -1 0 302.283 -0.889 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)Nc2n[nH]c(CC(=O)[O-])n2)CC1=O ZINC000736432359 600178781 /nfs/dbraw/zinc/17/87/81/600178781.db2.gz JJBGWFANKXUVKB-QMMMGPOBSA-N -1 0 309.326 -0.125 20 0 DBADRM COC(=O)Cc1nc(NC(=O)c2cccc(C(=O)[O-])n2)n[nH]1 ZINC000737630851 600179217 /nfs/dbraw/zinc/17/92/17/600179217.db2.gz NOWGWRVQOFEECA-UHFFFAOYSA-N -1 0 305.250 -0.134 20 0 DBADRM O=C([O-])CCCc1nc(COC(=O)C2=NNC(=O)CC2)no1 ZINC000739704778 600183161 /nfs/dbraw/zinc/18/31/61/600183161.db2.gz ZQYNQBBAGUBDNE-UHFFFAOYSA-N -1 0 310.266 -0.214 20 0 DBADRM O=C([O-])CCc1nc(COC(=O)Cn2ccccc2=O)no1 ZINC000739769128 600187547 /nfs/dbraw/zinc/18/75/47/600187547.db2.gz KTONTHYTBYXNKZ-UHFFFAOYSA-N -1 0 307.262 -0.008 20 0 DBADRM CN1C[C@H](C(=O)OCc2noc(CCCC(=O)[O-])n2)CC1=O ZINC000737507731 600188419 /nfs/dbraw/zinc/18/84/19/600188419.db2.gz AUTOGBFJTKIBNV-MRVPVSSYSA-N -1 0 311.294 -0.002 20 0 DBADRM O=C([O-])COc1cccc(CNC(=O)N2CCNC(=O)C2)c1 ZINC000739832457 600188511 /nfs/dbraw/zinc/18/85/11/600188511.db2.gz JYUAKUIMQHLYJC-UHFFFAOYSA-N -1 0 307.306 -0.209 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)COC(=O)CCCNC(=O)[O-] ZINC000737496789 600195296 /nfs/dbraw/zinc/19/52/96/600195296.db2.gz JJJVLXMLCJDVAP-UHFFFAOYSA-N -1 0 312.326 -0.031 20 0 DBADRM C[C@H](OC(=O)CCCNC(=O)[O-])C(=O)NC(=O)NC1CC1 ZINC000736691595 600198785 /nfs/dbraw/zinc/19/87/85/600198785.db2.gz WJQBLCOAUFMVSV-ZETCQYMHSA-N -1 0 301.299 -0.046 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)OCc2cccc(C(=O)[O-])c2)C1=O ZINC000737509674 600214130 /nfs/dbraw/zinc/21/41/30/600214130.db2.gz SVCKRYULCSRBHN-UHFFFAOYSA-N -1 0 320.257 -0.151 20 0 DBADRM Cc1cc(COC(=O)CN2C(=O)C(=O)N(C)C2=O)oc1C(=O)[O-] ZINC000738393072 600214617 /nfs/dbraw/zinc/21/46/17/600214617.db2.gz SRRNXKDDYGIANS-UHFFFAOYSA-N -1 0 324.245 -0.250 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)O[C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000737508897 600215591 /nfs/dbraw/zinc/21/55/91/600215591.db2.gz QAYHKDYFHVJBBV-SNVBAGLBSA-N -1 0 320.257 -0.224 20 0 DBADRM CS(=O)(=O)Cc1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000738135593 600222853 /nfs/dbraw/zinc/22/28/53/600222853.db2.gz RTFFCMQPIQDBAJ-UHFFFAOYSA-N -1 0 307.349 -0.406 20 0 DBADRM CNC(=O)CCNS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000044993968 600224693 /nfs/dbraw/zinc/22/46/93/600224693.db2.gz PMIOQLUFSZUZRK-UHFFFAOYSA-N -1 0 300.336 -0.060 20 0 DBADRM COC(=O)[C@@H](CC(C)C)NC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000737572383 600230631 /nfs/dbraw/zinc/23/06/31/600230631.db2.gz BGWUTDWJFNHWMC-MXWKQRLJSA-N -1 0 316.354 -0.790 20 0 DBADRM NC(=O)CN1C[C@H](OC(=O)c2ccc(C(=O)[O-])s2)CC1=O ZINC000739162985 600243469 /nfs/dbraw/zinc/24/34/69/600243469.db2.gz HYOUDOCLACDTFB-ZCFIWIBFSA-N -1 0 312.303 -0.311 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)OC ZINC000736839420 600243813 /nfs/dbraw/zinc/24/38/13/600243813.db2.gz DEWSCYROCYWVIB-YUMQZZPRSA-N -1 0 318.351 -0.570 20 0 DBADRM O=C([O-])C1=NC2=NS(=O)(=O)c3ccccc3N2N1CCCO ZINC000739519583 600247966 /nfs/dbraw/zinc/24/79/66/600247966.db2.gz JBWZIQNJTCIZNE-UHFFFAOYSA-N -1 0 324.318 -0.353 20 0 DBADRM Cn1cc(C(=O)NCc2ccc(C(=O)[O-])o2)c(=O)n(C)c1=O ZINC000739023193 600251707 /nfs/dbraw/zinc/25/17/07/600251707.db2.gz QPFZJMPDHISUAE-UHFFFAOYSA-N -1 0 307.262 -0.695 20 0 DBADRM O=C([O-])CCSCCNC(=O)CN1CCS(=O)(=O)CC1 ZINC000739745279 600254793 /nfs/dbraw/zinc/25/47/93/600254793.db2.gz SRBOHLYUGHOHKA-UHFFFAOYSA-N -1 0 324.424 -0.959 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000740317661 600259501 /nfs/dbraw/zinc/25/95/01/600259501.db2.gz WOKQIYMAESGDEF-CQSZACIVSA-N -1 0 303.274 -0.191 20 0 DBADRM C[C@H](C(=O)NCCSCCC(=O)[O-])N1CCN(C)CC1 ZINC000736213522 600261216 /nfs/dbraw/zinc/26/12/16/600261216.db2.gz GGWCQBGJGYUIDJ-LLVKDONJSA-N -1 0 303.428 -0.054 20 0 DBADRM O=C([O-])CCSCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000739743513 600262359 /nfs/dbraw/zinc/26/23/59/600262359.db2.gz JXXWFDWPCDQMOP-UHFFFAOYSA-N -1 0 301.324 -0.727 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(C(=O)CN1CCCS1(=O)=O)CC2 ZINC000262092972 600263270 /nfs/dbraw/zinc/26/32/70/600263270.db2.gz IFIWSDFKVFMKCC-SNVBAGLBSA-N -1 0 316.379 -0.265 20 0 DBADRM COC(=O)CCC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737589483 600264751 /nfs/dbraw/zinc/26/47/51/600264751.db2.gz BZZMAOBLGAEEMG-UHFFFAOYSA-N -1 0 302.327 -0.815 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736846017 600265489 /nfs/dbraw/zinc/26/54/89/600265489.db2.gz ATSRAJBSFUZFRE-LLVKDONJSA-N -1 0 315.370 -0.854 20 0 DBADRM Cn1cc(C(=O)OCc2cc(C(=O)[O-])co2)c(=O)n(C)c1=O ZINC000739028417 600267597 /nfs/dbraw/zinc/26/75/97/600267597.db2.gz VHJYAOWUMOBSOS-UHFFFAOYSA-N -1 0 308.246 -0.268 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737824942 600269069 /nfs/dbraw/zinc/26/90/69/600269069.db2.gz FKMQGVGARWEFFF-JTQLQIEISA-N -1 0 319.379 -0.239 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737824943 600269091 /nfs/dbraw/zinc/26/90/91/600269091.db2.gz FKMQGVGARWEFFF-SNVBAGLBSA-N -1 0 319.379 -0.239 20 0 DBADRM O=C([O-])c1cn(CC(=O)Nc2ccc3c(c2)NC(=O)CO3)nn1 ZINC000739356555 600283664 /nfs/dbraw/zinc/28/36/64/600283664.db2.gz JPIKRGBWMQJEMQ-UHFFFAOYSA-N -1 0 317.261 -0.054 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCn2c(nnc2C2CC2)C1 ZINC000737401924 600303802 /nfs/dbraw/zinc/30/38/02/600303802.db2.gz YQCHUCVLVDZZMS-UHFFFAOYSA-N -1 0 307.354 -0.096 20 0 DBADRM CN(CC(=O)N1CCN(c2cnccn2)CC1)C(C)(C)C(=O)[O-] ZINC000737389897 600307785 /nfs/dbraw/zinc/30/77/85/600307785.db2.gz RUIIKFSOOGMUBH-UHFFFAOYSA-N -1 0 321.381 -0.080 20 0 DBADRM NC(=O)c1ccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000388661161 600310924 /nfs/dbraw/zinc/31/09/24/600310924.db2.gz QNMYYEYUWVMZFE-KOLCDFICSA-N -1 0 309.278 -0.287 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000737402434 600312444 /nfs/dbraw/zinc/31/24/44/600312444.db2.gz HXHQHGJIHWITPK-LLVKDONJSA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736670654 600318139 /nfs/dbraw/zinc/31/81/39/600318139.db2.gz OARHWQIMGXBMRQ-RKDXNWHRSA-N -1 0 304.368 -0.363 20 0 DBADRM COC(=O)CN(CCn1cnc2ccccc2c1=O)CC(=O)[O-] ZINC000737619417 600319071 /nfs/dbraw/zinc/31/90/71/600319071.db2.gz HEGWOOYHBIMNRW-UHFFFAOYSA-N -1 0 319.317 -0.044 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000739161593 600321374 /nfs/dbraw/zinc/32/13/74/600321374.db2.gz WNLXMVGVZWZHQJ-QMMMGPOBSA-N -1 0 323.280 -0.204 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000739160911 600321432 /nfs/dbraw/zinc/32/14/32/600321432.db2.gz RGSCKGLLWFYUFN-SSDOTTSWSA-N -1 0 323.280 -0.204 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)NCCOCCO)ccc1F ZINC000739429167 600330517 /nfs/dbraw/zinc/33/05/17/600330517.db2.gz SCYIFWPTTRQPCK-UHFFFAOYSA-N -1 0 314.269 -0.413 20 0 DBADRM COC(=O)COc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000737621151 600332049 /nfs/dbraw/zinc/33/20/49/600332049.db2.gz IGCMJXRDDQHYBK-UHFFFAOYSA-N -1 0 324.289 -0.232 20 0 DBADRM Cn1c2ccc(NC(=O)C(=O)NCCC(=O)[O-])cc2n(C)c1=O ZINC000738400354 600332224 /nfs/dbraw/zinc/33/22/24/600332224.db2.gz LDTXWJYXVZDGKE-UHFFFAOYSA-N -1 0 320.305 -0.594 20 0 DBADRM COC(=O)Cc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000737629120 600333421 /nfs/dbraw/zinc/33/34/21/600333421.db2.gz YEUVLXPWPZQSDE-UHFFFAOYSA-N -1 0 308.290 -0.069 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCCS(=O)(=O)CC1)C(=O)[O-] ZINC000736882175 600334325 /nfs/dbraw/zinc/33/43/25/600334325.db2.gz GRLKWXWSSGABDG-ZYHUDNBSSA-N -1 0 320.411 -0.278 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000738588921 600335860 /nfs/dbraw/zinc/33/58/60/600335860.db2.gz UAHUAADBWSAZPM-UHFFFAOYSA-N -1 0 322.256 -0.669 20 0 DBADRM NC(=O)c1cc(NC(=O)C(=O)NCCCC(=O)[O-])ccc1F ZINC000739176738 600338611 /nfs/dbraw/zinc/33/86/11/600338611.db2.gz GNBOHPUVLCXQND-UHFFFAOYSA-N -1 0 311.269 -0.156 20 0 DBADRM CCN(CC(=O)NC)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000070197649 600340034 /nfs/dbraw/zinc/34/00/34/600340034.db2.gz XWNUTGCRAGIRPX-UHFFFAOYSA-N -1 0 304.328 -0.827 20 0 DBADRM COC(=O)[C@H](C)CN(C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000070446547 600340037 /nfs/dbraw/zinc/34/00/37/600340037.db2.gz SKXIZVRXKMDFFA-ZCFIWIBFSA-N -1 0 319.339 -0.154 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1)C(=O)[O-] ZINC000736587314 600344202 /nfs/dbraw/zinc/34/42/02/600344202.db2.gz VNYITXZVQBPCAB-ZCFIWIBFSA-N -1 0 311.269 -0.300 20 0 DBADRM COC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000737733048 600348910 /nfs/dbraw/zinc/34/89/10/600348910.db2.gz MTBBXLDWQBTKOO-CQSZACIVSA-N -1 0 310.306 -0.163 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)CN2CC(=O)NC2=O)cc1 ZINC000739823929 600360796 /nfs/dbraw/zinc/36/07/96/600360796.db2.gz OJLFVVWQIAPMOL-UHFFFAOYSA-N -1 0 307.262 -0.360 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000261621664 600362160 /nfs/dbraw/zinc/36/21/60/600362160.db2.gz BYUKPECEEDBQAB-NSHDSACASA-N -1 0 313.354 -0.658 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737536022 600365780 /nfs/dbraw/zinc/36/57/80/600365780.db2.gz ALRINUTYPOIDLL-UHFFFAOYSA-N -1 0 322.321 -0.403 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000739734224 600368082 /nfs/dbraw/zinc/36/80/82/600368082.db2.gz XMPHMWGEFXLWIG-UHFFFAOYSA-N -1 0 320.257 -0.682 20 0 DBADRM O=C([O-])c1coc(C(=O)COC(=O)CN2CC(=O)NC2=O)c1 ZINC000740306266 600368716 /nfs/dbraw/zinc/36/87/16/600368716.db2.gz ACZBVAUXBCVUAZ-UHFFFAOYSA-N -1 0 310.218 -0.745 20 0 DBADRM CN(C(=O)COC(=O)[C@@H]1CNC(=O)N1)c1ccccc1C(=O)[O-] ZINC000737322990 600369440 /nfs/dbraw/zinc/36/94/40/600369440.db2.gz UJMCUJCRWZKBPB-VIFPVBQESA-N -1 0 321.289 -0.428 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCCN(C(N)=O)CC1)C(=O)[O-] ZINC000736413879 600373776 /nfs/dbraw/zinc/37/37/76/600373776.db2.gz VUXYCAHPDWNHFV-LLVKDONJSA-N -1 0 314.386 -0.312 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCCC(=O)[O-] ZINC000736268145 600387443 /nfs/dbraw/zinc/38/74/43/600387443.db2.gz PFAKZBHOTGDWOT-IUCAKERBSA-N -1 0 302.327 -0.052 20 0 DBADRM C[C@@H](Oc1cccnc1)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000736707966 600393361 /nfs/dbraw/zinc/39/33/61/600393361.db2.gz HHAZHQDMYSZRTK-MWLCHTKSSA-N -1 0 307.306 -0.349 20 0 DBADRM COCCN(CC(=O)[O-])CC(=O)Nc1ccccc1C(N)=O ZINC000314938890 600396018 /nfs/dbraw/zinc/39/60/18/600396018.db2.gz LQUMNLMMWLIOBD-UHFFFAOYSA-N -1 0 309.322 -0.243 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cnn2ccc(C)nc12 ZINC000737611510 600408895 /nfs/dbraw/zinc/40/88/95/600408895.db2.gz AEZRQLUOHRTVTJ-UHFFFAOYSA-N -1 0 306.278 -0.262 20 0 DBADRM CCCCOC(=O)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000736998099 600414218 /nfs/dbraw/zinc/41/42/18/600414218.db2.gz FIAKJFSLPBUKBP-UHFFFAOYSA-N -1 0 322.383 -0.039 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737747912 600414657 /nfs/dbraw/zinc/41/46/57/600414657.db2.gz PJEGAUUEQIILPK-LLVKDONJSA-N -1 0 324.399 -0.930 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1 ZINC000739355893 600428352 /nfs/dbraw/zinc/42/83/52/600428352.db2.gz RXQLMBZOTFQBCV-UHFFFAOYSA-N -1 0 314.261 -0.197 20 0 DBADRM Cc1cnn(C[C@@H]2CN(Cn3cc(C(=O)[O-])nn3)CCO2)c1 ZINC000738811739 600431457 /nfs/dbraw/zinc/43/14/57/600431457.db2.gz KRRQIHGPQGZDQL-NSHDSACASA-N -1 0 306.326 -0.160 20 0 DBADRM Cc1cc(NCCCS(C)(=O)=O)n2nc(C(=O)[O-])nc2n1 ZINC000738459934 600432391 /nfs/dbraw/zinc/43/23/91/600432391.db2.gz MTKQHSZPWYWZER-UHFFFAOYSA-N -1 0 313.339 -0.022 20 0 DBADRM CCN(C(=O)CN1CCC[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000035303102 600436146 /nfs/dbraw/zinc/43/61/46/600436146.db2.gz AGZMNIMFGXFCGL-WDEREUQCSA-N -1 0 318.395 -0.429 20 0 DBADRM O=C([O-])[C@H]1CCCN1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000739587245 600436591 /nfs/dbraw/zinc/43/65/91/600436591.db2.gz GMTIKBKOYJWTPV-GFCCVEGCSA-N -1 0 309.366 -0.384 20 0 DBADRM O=C([O-])[C@H]1CCCN1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000739587221 600437652 /nfs/dbraw/zinc/43/76/52/600437652.db2.gz FIEALEXHKOKERL-GFCCVEGCSA-N -1 0 319.365 -0.326 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1cncc(O)c1 ZINC000739787187 600442724 /nfs/dbraw/zinc/44/27/24/600442724.db2.gz XRTWHOLIUMNWDQ-UHFFFAOYSA-N -1 0 309.322 -0.354 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCn3ccnc3C2)CC1 ZINC000062251800 600447494 /nfs/dbraw/zinc/44/74/94/600447494.db2.gz XFCQORYXSZXLQT-UHFFFAOYSA-N -1 0 314.367 -0.260 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)C1=O ZINC000230225733 600452403 /nfs/dbraw/zinc/45/24/03/600452403.db2.gz PIMPQVQSQWPGIP-LURJTMIESA-N -1 0 304.349 -0.045 20 0 DBADRM C[C@H](OC(=O)c1ccnc(-n2cncn2)c1)C(=O)NCC(=O)[O-] ZINC000736698998 600465862 /nfs/dbraw/zinc/46/58/62/600465862.db2.gz ZCAKECDXORJQSE-QMMMGPOBSA-N -1 0 319.277 -0.592 20 0 DBADRM O=C([O-])CCCCNC(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000739667663 600466102 /nfs/dbraw/zinc/46/61/02/600466102.db2.gz PBMSOSMYLHIQMY-LLVKDONJSA-N -1 0 311.342 -0.057 20 0 DBADRM CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000737529928 600469075 /nfs/dbraw/zinc/46/90/75/600469075.db2.gz NXGHPKFJMCQRBJ-LBPRGKRZSA-N -1 0 321.333 -0.230 20 0 DBADRM CN(CCNC(=O)N1CCO[C@H](C(=O)[O-])C1)CC(F)(F)F ZINC000737442741 600471073 /nfs/dbraw/zinc/47/10/73/600471073.db2.gz JJDROOZQWWYMIQ-QMMMGPOBSA-N -1 0 313.276 -0.025 20 0 DBADRM O=C([O-])C[C@H]1NC(=O)N([C@@H]2CCN(CC(F)(F)F)C2=O)C1=O ZINC000739656695 600473279 /nfs/dbraw/zinc/47/32/79/600473279.db2.gz FNNFVKYXLLFBGS-PHDIDXHHSA-N -1 0 323.227 -0.455 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)Cn1cnnc1[S@](C)=O)C(=O)[O-] ZINC000736872548 600475955 /nfs/dbraw/zinc/47/59/55/600475955.db2.gz IGRXPWRKGDNULZ-JMEATOCMSA-N -1 0 302.356 -0.369 20 0 DBADRM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCC(=O)[O-] ZINC000036983750 600489910 /nfs/dbraw/zinc/48/99/10/600489910.db2.gz SUUKRXOAVCZWFA-SECBINFHSA-N -1 0 313.397 -0.310 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CCCC(=O)[O-] ZINC000738437128 600496445 /nfs/dbraw/zinc/49/64/45/600496445.db2.gz LVSZAEQQSXLDTI-NSHDSACASA-N -1 0 314.363 -0.133 20 0 DBADRM CC(C)NS(=O)(=O)CCNS(=O)(=O)CCCC(=O)[O-] ZINC000736477734 600496810 /nfs/dbraw/zinc/49/68/10/600496810.db2.gz LSUDXYLKDFSSAQ-UHFFFAOYSA-N -1 0 316.401 -0.902 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CCCN2C(=O)CNC2=O)o1 ZINC000739234018 600497825 /nfs/dbraw/zinc/49/78/25/600497825.db2.gz QINARVJQSHDHLW-UHFFFAOYSA-N -1 0 309.278 -0.074 20 0 DBADRM C[C@@H](CNC(=O)N1CCO[C@@H](C(=O)[O-])C1)CN1CCOCC1 ZINC000736594783 600502115 /nfs/dbraw/zinc/50/21/15/600502115.db2.gz GBVDLMXYQSMIEC-NWDGAFQWSA-N -1 0 315.370 -0.550 20 0 DBADRM C[C@@H](CN(C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C(=O)[O-] ZINC000736570769 600507199 /nfs/dbraw/zinc/50/71/99/600507199.db2.gz GOLYGASVWZTBJQ-ZETCQYMHSA-N -1 0 324.337 -0.299 20 0 DBADRM CN1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1=O ZINC000737514330 600509320 /nfs/dbraw/zinc/50/93/20/600509320.db2.gz GGQHBZRKBBRUMW-JTQLQIEISA-N -1 0 323.280 -0.191 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C)C2=O)ccc1C(=O)[O-] ZINC000738411004 600510089 /nfs/dbraw/zinc/51/00/89/600510089.db2.gz MOQJVJPQCGTBQF-NSHDSACASA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(C)C1=O ZINC000738520204 600510394 /nfs/dbraw/zinc/51/03/94/600510394.db2.gz VOVZFKUUHWCYEH-JTQLQIEISA-N -1 0 319.317 -0.021 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)CNC(=O)Cc2ccccc2)n[nH]1 ZINC000739902534 600535655 /nfs/dbraw/zinc/53/56/55/600535655.db2.gz XIRPBDUUFMCGFR-UHFFFAOYSA-N -1 0 317.305 -0.271 20 0 DBADRM CCN(CCC(=O)N(C)CC(=O)[O-])[C@H](C)CS(C)(=O)=O ZINC000737094625 600542915 /nfs/dbraw/zinc/54/29/15/600542915.db2.gz ZVLXOXWHHBWXQJ-SNVBAGLBSA-N -1 0 308.400 -0.326 20 0 DBADRM C[C@H](O)CCNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736678473 600550125 /nfs/dbraw/zinc/55/01/25/600550125.db2.gz SZEQUEBARNIFHR-VIFPVBQESA-N -1 0 310.306 -0.024 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1C ZINC000738932285 600550239 /nfs/dbraw/zinc/55/02/39/600550239.db2.gz SXOPXCAWDHOSJX-QWRGUYRKSA-N -1 0 307.354 -0.512 20 0 DBADRM CC(C)N(CCC(=O)[O-])C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000262362073 600559996 /nfs/dbraw/zinc/55/99/96/600559996.db2.gz CUSBQQUAQHAOPJ-UHFFFAOYSA-N -1 0 311.342 -0.308 20 0 DBADRM CN(CCN1CCOCC1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000737442615 600568992 /nfs/dbraw/zinc/56/89/92/600568992.db2.gz YZHJWYZAJMWJTR-UHFFFAOYSA-N -1 0 311.342 -0.236 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCS(=O)(=O)CC2)n1 ZINC000739913137 600571001 /nfs/dbraw/zinc/57/10/01/600571001.db2.gz MDGJTCIJWJVEIG-UHFFFAOYSA-N -1 0 302.312 -0.770 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)N(CCOC)CC(=O)[O-])C1=O ZINC000314786077 600588074 /nfs/dbraw/zinc/58/80/74/600588074.db2.gz BVEOITUNZXQJFZ-ZDUSSCGKSA-N -1 0 315.326 -0.734 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000736148198 600593482 /nfs/dbraw/zinc/59/34/82/600593482.db2.gz HINABWYPGQVHPG-ONGXEEELSA-N -1 0 313.354 -0.707 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=S)NCCCC(=O)[O-])C1 ZINC000737552956 600615939 /nfs/dbraw/zinc/61/59/39/600615939.db2.gz PJHZPMXBFKQRMW-VIFPVBQESA-N -1 0 323.440 -0.261 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCS(=O)(=O)C[C@@H]1C)C(=O)[O-] ZINC000736412351 600622368 /nfs/dbraw/zinc/62/23/68/600622368.db2.gz MOFXTYGOKGQUMB-QWRGUYRKSA-N -1 0 320.411 -0.279 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@H]1COc2ccccc21 ZINC000387090652 600630069 /nfs/dbraw/zinc/63/00/69/600630069.db2.gz ROCIGKLALDPNKZ-WDEREUQCSA-N -1 0 304.302 -0.036 20 0 DBADRM CC(C)(C)OC(=O)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000736262375 600638613 /nfs/dbraw/zinc/63/86/13/600638613.db2.gz LKTGWOUYGFXZJO-UHFFFAOYSA-N -1 0 322.383 -0.041 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000736242507 600642020 /nfs/dbraw/zinc/64/20/20/600642020.db2.gz PCFBQWIKVRXBOJ-VIFPVBQESA-N -1 0 321.399 -0.483 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)CCC(=O)N(C)CC(=O)[O-] ZINC000736223961 600642299 /nfs/dbraw/zinc/64/22/99/600642299.db2.gz MWSKAJUDWKGLOQ-ZJUUUORDSA-N -1 0 308.400 -0.327 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)o1 ZINC000740175710 600651405 /nfs/dbraw/zinc/65/14/05/600651405.db2.gz WCFSRKQRQHUUQB-SSDOTTSWSA-N -1 0 312.307 -0.137 20 0 DBADRM CC(=O)NC1(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])CCCC1 ZINC000825863487 600665188 /nfs/dbraw/zinc/66/51/88/600665188.db2.gz LLVOWOWHHWMLKP-MRVPVSSYSA-N -1 0 300.311 -0.432 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)CN1CCC(=O)NC1=O ZINC000221241408 600666528 /nfs/dbraw/zinc/66/65/28/600666528.db2.gz JRMWGFWWKCKHQN-QMMMGPOBSA-N -1 0 315.351 -0.653 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC000739192630 600680300 /nfs/dbraw/zinc/68/03/00/600680300.db2.gz MUIBFRBLZMQAKG-VIFPVBQESA-N -1 0 313.335 -0.327 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCc2ccccn2)cn1 ZINC000035651736 600686988 /nfs/dbraw/zinc/68/69/88/600686988.db2.gz MSJWHDOLPZXVCC-UHFFFAOYSA-N -1 0 310.335 -0.116 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000739634399 600695588 /nfs/dbraw/zinc/69/55/88/600695588.db2.gz NELSVUUYBWWVKE-ZYHUDNBSSA-N -1 0 322.292 -0.069 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)CN1CCCNC1=O ZINC000532004893 600697385 /nfs/dbraw/zinc/69/73/85/600697385.db2.gz ZOGKQGADCMJLIJ-SECBINFHSA-N -1 0 301.368 -0.180 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000036133669 600697915 /nfs/dbraw/zinc/69/79/15/600697915.db2.gz LLZZUKFMQAMLBP-JTQLQIEISA-N -1 0 315.351 -0.046 20 0 DBADRM COC[C@](C)(O)C(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000831637754 600702262 /nfs/dbraw/zinc/70/22/62/600702262.db2.gz LIMNBXZMDSBVBV-OTYXRUKQSA-N -1 0 317.338 -0.361 20 0 DBADRM CN1C(=O)C(=O)N(CN2CCSC[C@H]2CC(=O)[O-])C1=O ZINC000737508100 600702363 /nfs/dbraw/zinc/70/23/63/600702363.db2.gz NLJOZSMMQKHDNS-SSDOTTSWSA-N -1 0 301.324 -0.743 20 0 DBADRM CN1CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])CC1=O ZINC000084204649 600707701 /nfs/dbraw/zinc/70/77/01/600707701.db2.gz MBHBVNOSYMUONM-UHFFFAOYSA-N -1 0 313.335 -0.689 20 0 DBADRM CCCCN(CC(N)=O)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037837244 600709007 /nfs/dbraw/zinc/70/90/07/600709007.db2.gz DQYXOTVKFMEQLY-UHFFFAOYSA-N -1 0 303.340 -0.011 20 0 DBADRM Cc1cc(COC(=O)c2cn(CC(N)=O)nn2)oc1C(=O)[O-] ZINC000832885576 600712551 /nfs/dbraw/zinc/71/25/51/600712551.db2.gz QCHBUBPXBSHJMO-UHFFFAOYSA-N -1 0 308.250 -0.280 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(CN2CCC[C@H](C(=O)[O-])C2)c1 ZINC000737373848 600714536 /nfs/dbraw/zinc/71/45/36/600714536.db2.gz JMGCRKPRQYRKLQ-JTQLQIEISA-N -1 0 316.383 -0.113 20 0 DBADRM CN1CCN(CC(=O)N(CC(=O)[O-])c2ccccc2)CC1=O ZINC000737526580 600716448 /nfs/dbraw/zinc/71/64/48/600716448.db2.gz UXCGRVGFUPMROK-UHFFFAOYSA-N -1 0 305.334 -0.122 20 0 DBADRM CCN1CCC[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000040503075 600720096 /nfs/dbraw/zinc/72/00/96/600720096.db2.gz CMLKAXLFDGVTGZ-JTQLQIEISA-N -1 0 316.383 -0.270 20 0 DBADRM CCOC(=O)[C@H](C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000049374504 600720839 /nfs/dbraw/zinc/72/08/39/600720839.db2.gz LOBNDZZKOPXZBY-ZETCQYMHSA-N -1 0 305.312 -0.802 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)NCCSCC(=O)[O-] ZINC000738152899 600721770 /nfs/dbraw/zinc/72/17/70/600721770.db2.gz APSFLUFTRKGRII-UHFFFAOYSA-N -1 0 319.426 -0.842 20 0 DBADRM COC(=O)/C(C)=C/Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000831053108 600728807 /nfs/dbraw/zinc/72/88/07/600728807.db2.gz KXKAIAVRCTYIQI-FPYGCLRLSA-N -1 0 306.278 -0.203 20 0 DBADRM COC(=O)Cn1ncc2c1ncn(C/C=C(\C)C(=O)[O-])c2=O ZINC000831192575 600728868 /nfs/dbraw/zinc/72/88/68/600728868.db2.gz OOOGVXQYQCZWMA-FPYGCLRLSA-N -1 0 306.278 -0.203 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCc2cscn2)cn1 ZINC000111627585 600729455 /nfs/dbraw/zinc/72/94/55/600729455.db2.gz JESWRRCXFMVGLQ-UHFFFAOYSA-N -1 0 302.337 -0.097 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)c1cnn(CC(=O)OC)c1)C(=O)[O-] ZINC000828700189 600730714 /nfs/dbraw/zinc/73/07/14/600730714.db2.gz IHLBHKHDYCAVBA-LLVKDONJSA-N -1 0 319.339 -0.412 20 0 DBADRM CCOC(=O)C(C)(C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000829817908 600736602 /nfs/dbraw/zinc/73/66/02/600736602.db2.gz NBEVJVOYTKDQEK-UHFFFAOYSA-N -1 0 319.339 -0.412 20 0 DBADRM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000826727385 600737300 /nfs/dbraw/zinc/73/73/00/600737300.db2.gz NMMWWHHBLZDLCF-SNVBAGLBSA-N -1 0 315.351 -0.142 20 0 DBADRM CN1CCN(C)[C@@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000225331599 600744712 /nfs/dbraw/zinc/74/47/12/600744712.db2.gz AEXUELJWRUSVAJ-VIFPVBQESA-N -1 0 316.383 -0.763 20 0 DBADRM CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000230953081 600744970 /nfs/dbraw/zinc/74/49/70/600744970.db2.gz AGGHGXVWBXNXGZ-MRVPVSSYSA-N -1 0 315.351 -0.140 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCN2C(=O)CCC2=O)c[nH]1 ZINC000405433799 600748269 /nfs/dbraw/zinc/74/82/69/600748269.db2.gz LZVZBKVWVUJCQL-UHFFFAOYSA-N -1 0 315.307 -0.860 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000833228165 600772370 /nfs/dbraw/zinc/77/23/70/600772370.db2.gz IBRAXTURGSJSLS-GFCCVEGCSA-N -1 0 320.411 -0.165 20 0 DBADRM CC[S@](=O)CCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000132144218 600781585 /nfs/dbraw/zinc/78/15/85/600781585.db2.gz DMUAEXANULYRML-GOSISDBHSA-N -1 0 308.381 -0.230 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCn3cnnc3C2)cc1C(=O)[O-] ZINC000081134340 600781882 /nfs/dbraw/zinc/78/18/82/600781882.db2.gz ODKMQQMDKSQXAK-UHFFFAOYSA-N -1 0 311.323 -0.481 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000736360766 600802683 /nfs/dbraw/zinc/80/26/83/600802683.db2.gz BCIAZIYDVMQEEA-FIKIJFGZSA-N -1 0 319.427 -0.199 20 0 DBADRM Cc1cc(N(C)[C@@H]2CCN(C)C2=O)n2nc(C(=O)[O-])nc2n1 ZINC000832888842 600804066 /nfs/dbraw/zinc/80/40/66/600804066.db2.gz LOOOBWZSIPBFHZ-MRVPVSSYSA-N -1 0 304.310 -0.202 20 0 DBADRM Cn1ccnc(N2CCN(c3ccc(C(=O)[O-])nn3)CC2)c1=O ZINC000833059526 600804083 /nfs/dbraw/zinc/80/40/83/600804083.db2.gz PZGKORXDFRAJJI-UHFFFAOYSA-N -1 0 316.321 -0.405 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000322232436 600815539 /nfs/dbraw/zinc/81/55/39/600815539.db2.gz YIRVEQCCGXIBCF-QMMMGPOBSA-N -1 0 322.321 -0.114 20 0 DBADRM Cn1ccc(N2CCC[C@@H](N3CCO[C@H](C(=O)[O-])C3)C2=O)n1 ZINC000819072444 600824624 /nfs/dbraw/zinc/82/46/24/600824624.db2.gz SIKCSOFNPQCFIY-MNOVXSKESA-N -1 0 308.338 -0.299 20 0 DBADRM Cn1ccc(N2CCC[C@H](N3CCO[C@@H](C(=O)[O-])C3)C2=O)n1 ZINC000819072448 600824892 /nfs/dbraw/zinc/82/48/92/600824892.db2.gz SIKCSOFNPQCFIY-WDEREUQCSA-N -1 0 308.338 -0.299 20 0 DBADRM Cc1cc(N2CC[C@@H](N3CCO[C@H](C(=O)[O-])C3)C2=O)n(C)n1 ZINC000818829871 600825262 /nfs/dbraw/zinc/82/52/62/600825262.db2.gz QOBPVUDYXPWWJZ-MNOVXSKESA-N -1 0 308.338 -0.381 20 0 DBADRM CC(C)n1ccc(CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC000827193084 600859221 /nfs/dbraw/zinc/85/92/21/600859221.db2.gz RQIIHULWISWXSE-LLVKDONJSA-N -1 0 308.338 -0.192 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)O)cc1C(=O)[O-] ZINC000831395247 600864887 /nfs/dbraw/zinc/86/48/87/600864887.db2.gz YNQLAOMNDJONJF-ZETCQYMHSA-N -1 0 324.289 -0.393 20 0 DBADRM Cn1cc(N2CCC[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2=O)cn1 ZINC000739035781 600870839 /nfs/dbraw/zinc/87/08/39/600870839.db2.gz ZRQXWJDJVVEERA-VWYCJHECSA-N -1 0 306.322 -0.248 20 0 DBADRM NC(=O)Cn1cc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)nn1 ZINC000833083112 600883065 /nfs/dbraw/zinc/88/30/65/600883065.db2.gz NRAXIIDNUWVMCR-VIFPVBQESA-N -1 0 315.289 -0.408 20 0 DBADRM Cc1nc(SCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n[nH]1 ZINC000832991262 600887260 /nfs/dbraw/zinc/88/72/60/600887260.db2.gz SKAZMXHJMPGTHM-SSDOTTSWSA-N -1 0 313.339 -0.993 20 0 DBADRM NC(=O)Cn1cc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)nn1 ZINC000833083120 600896699 /nfs/dbraw/zinc/89/66/99/600896699.db2.gz NYXLKNQHGMQHRX-SNVBAGLBSA-N -1 0 317.305 -0.638 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000829847351 600913024 /nfs/dbraw/zinc/91/30/24/600913024.db2.gz DMUBTVIQXZIHOI-VHSXEESVSA-N -1 0 314.338 -0.246 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000829847347 600913311 /nfs/dbraw/zinc/91/33/11/600913311.db2.gz DMUBTVIQXZIHOI-NXEZZACHSA-N -1 0 314.338 -0.246 20 0 DBADRM CC(C)C[C@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000736409239 600918337 /nfs/dbraw/zinc/91/83/37/600918337.db2.gz ALYXZXIKOZINGQ-SECBINFHSA-N -1 0 311.338 -0.439 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000828167089 600937765 /nfs/dbraw/zinc/93/77/65/600937765.db2.gz BSWACMQRKPPXBZ-PXIYARARSA-N -1 0 306.322 -0.249 20 0 DBADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCCCN2C(=O)CNC2=O)C1 ZINC000833182713 600940962 /nfs/dbraw/zinc/94/09/62/600940962.db2.gz FDRMDWODHGJVBF-ZJUUUORDSA-N -1 0 311.338 -0.065 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@H](O)c1ccccc1 ZINC000833247916 600943265 /nfs/dbraw/zinc/94/32/65/600943265.db2.gz BKJCGIYGTFEINP-OAHLLOKOSA-N -1 0 322.361 -0.035 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N[C@@](C)(C(=O)[O-])C2CC2)n1C ZINC000833017704 600962079 /nfs/dbraw/zinc/96/20/79/600962079.db2.gz FVWBKLOLNJHEOZ-CQSZACIVSA-N -1 0 309.370 -0.075 20 0 DBADRM O=C([O-])CCN(C(=O)Cn1cccnc1=O)C1CCOCC1 ZINC000833231729 600967238 /nfs/dbraw/zinc/96/72/38/600967238.db2.gz LPFFRCVAAVDEGM-UHFFFAOYSA-N -1 0 309.322 -0.274 20 0 DBADRM COC[C@@H]1CN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])CCO1 ZINC000737752806 600969494 /nfs/dbraw/zinc/96/94/94/600969494.db2.gz ZZXSCRLYSSXEJX-NWDGAFQWSA-N -1 0 302.371 -0.051 20 0 DBADRM CCN1CCO[C@H](C(=O)N(CC(=O)[O-])C2CCOCC2)C1 ZINC000829780871 600977032 /nfs/dbraw/zinc/97/70/32/600977032.db2.gz MUUGBXQXOSMWQU-LBPRGKRZSA-N -1 0 300.355 -0.201 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)CN1CCSC1=O ZINC000833248602 600985135 /nfs/dbraw/zinc/98/51/35/600985135.db2.gz VBKHZYARICRKDL-UHFFFAOYSA-N -1 0 303.384 -0.169 20 0 DBADRM O=C([O-])c1ccc(-c2nnn(CC(=O)N3CCNC3=O)n2)cc1 ZINC000740098173 600989432 /nfs/dbraw/zinc/98/94/32/600989432.db2.gz MLAYTWCMHLBXOO-UHFFFAOYSA-N -1 0 316.277 -0.410 20 0 DBADRM Cn1cnc(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000833058672 600989921 /nfs/dbraw/zinc/98/99/21/600989921.db2.gz ZMFHTRSECANGBO-UHFFFAOYSA-N -1 0 303.340 -0.326 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000831170902 600996680 /nfs/dbraw/zinc/99/66/80/600996680.db2.gz VDKCEAWBRHPORT-NXEZZACHSA-N -1 0 302.327 -0.818 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000831170899 600996366 /nfs/dbraw/zinc/99/63/66/600996366.db2.gz VDKCEAWBRHPORT-AOOOYVTPSA-N -1 0 302.327 -0.818 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000737542710 601035088 /nfs/dbraw/zinc/03/50/88/601035088.db2.gz HCEXTZFEZMELOI-UHFFFAOYSA-N -1 0 303.278 -0.025 20 0 DBADRM Cc1ncc(Cl)c(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC000738885377 601055080 /nfs/dbraw/zinc/05/50/80/601055080.db2.gz MJGRXNWFBUFUJZ-MRVPVSSYSA-N -1 0 312.713 -0.146 20 0 DBADRM CN(C(=O)Nc1ccn(CC(=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1 ZINC000830507838 601058981 /nfs/dbraw/zinc/05/89/81/601058981.db2.gz QMSSLUYHXBOPSL-MRVPVSSYSA-N -1 0 316.339 -0.382 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000263067916 601059204 /nfs/dbraw/zinc/05/92/04/601059204.db2.gz ZCKCSQUBKPRLNB-UHFFFAOYSA-N -1 0 304.328 -0.766 20 0 DBADRM Cc1nnc2n1CCN(C(=O)Nc1ccn(CC(=O)[O-])n1)C2 ZINC000833019312 601059299 /nfs/dbraw/zinc/05/92/99/601059299.db2.gz IYDVRJPFTRHXKD-UHFFFAOYSA-N -1 0 305.298 -0.085 20 0 DBADRM CC(C)c1nnnn1CC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000827175323 601059916 /nfs/dbraw/zinc/05/99/16/601059916.db2.gz LONFHIMOPORBHV-UHFFFAOYSA-N -1 0 311.342 -0.111 20 0 DBADRM CN1CC(=O)N(CC(=O)NC[C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000320596049 601075826 /nfs/dbraw/zinc/07/58/26/601075826.db2.gz COYLROZEDUGZIX-NSHDSACASA-N -1 0 319.317 -0.135 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)CSCC(N)=O)CC1 ZINC000827361564 601086555 /nfs/dbraw/zinc/08/65/55/601086555.db2.gz BUDUXFNILYHMDY-SECBINFHSA-N -1 0 303.384 -0.788 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CCCN1c1ncccn1)C(=O)NCC(=O)[O-] ZINC000827827924 601097819 /nfs/dbraw/zinc/09/78/19/601097819.db2.gz STIYXCHAITYEEV-ZJUUUORDSA-N -1 0 322.321 -0.422 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CCCN1c1ncccn1)C(=O)NCC(=O)[O-] ZINC000827827922 601097828 /nfs/dbraw/zinc/09/78/28/601097828.db2.gz STIYXCHAITYEEV-UWVGGRQHSA-N -1 0 322.321 -0.422 20 0 DBADRM CC(C)[C@@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000826717862 601099073 /nfs/dbraw/zinc/09/90/73/601099073.db2.gz WSAJDTXULWPLLP-SECBINFHSA-N -1 0 308.356 -0.446 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000737415276 601099829 /nfs/dbraw/zinc/09/98/29/601099829.db2.gz JUQVJDMVGDXESF-SNVBAGLBSA-N -1 0 316.383 -0.139 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000830125883 601106777 /nfs/dbraw/zinc/10/67/77/601106777.db2.gz JLEOLEDPKMSUIU-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM CCC(=O)N1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000828563399 601113441 /nfs/dbraw/zinc/11/34/41/601113441.db2.gz YZQBNNCQJWWGPY-VHSXEESVSA-N -1 0 314.338 -0.090 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)nn1 ZINC000739159883 601116179 /nfs/dbraw/zinc/11/61/79/601116179.db2.gz AOYXGQORCMRHQG-ZETCQYMHSA-N -1 0 323.334 -0.229 20 0 DBADRM C[C@@H](OC(=O)c1nonc1N)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000827873679 601121615 /nfs/dbraw/zinc/12/16/15/601121615.db2.gz LVLSMFZUSXVBGA-ZCFIWIBFSA-N -1 0 312.282 -0.480 20 0 DBADRM C[C@H](CN1CCOCC1)NS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000827461347 601131671 /nfs/dbraw/zinc/13/16/71/601131671.db2.gz URANKUBYRAQXDV-LLVKDONJSA-N -1 0 320.411 -0.119 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)Cc1ccccc1 ZINC000071240400 601137448 /nfs/dbraw/zinc/13/74/48/601137448.db2.gz SXPOKTFDUCUPPT-NSHDSACASA-N -1 0 312.347 -0.209 20 0 DBADRM CNC(=O)C=C(N)NOCC(=O)Nc1ccccc1C(=O)[O-] ZINC000830984225 601148928 /nfs/dbraw/zinc/14/89/28/601148928.db2.gz LNCWPIDBQCQGOM-UHFFFAOYSA-N -1 0 308.294 -0.042 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(C2=NC[C@H](C)S2)CC1 ZINC000828500402 601155069 /nfs/dbraw/zinc/15/50/69/601155069.db2.gz QZFOPLALXLYYGM-UWVGGRQHSA-N -1 0 314.411 -0.315 20 0 DBADRM O=C([O-])Nc1ccc(CNC(=O)CN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000833286634 601155861 /nfs/dbraw/zinc/15/58/61/601155861.db2.gz UIIPJPTVSOSVJE-TXEJJXNPSA-N -1 0 309.322 -0.570 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NCC(=O)N(C)C)cc1C(=O)[O-] ZINC000832941547 601157820 /nfs/dbraw/zinc/15/78/20/601157820.db2.gz PXHPTLGEPNQDJT-UHFFFAOYSA-N -1 0 307.306 -0.164 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)cc1C(=O)[O-] ZINC000832939458 601164607 /nfs/dbraw/zinc/16/46/07/601164607.db2.gz QFRHCEMQAFUSNH-VIFPVBQESA-N -1 0 319.317 -0.034 20 0 DBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N1CC[C@@H](O)C1 ZINC000832900435 601175220 /nfs/dbraw/zinc/17/52/20/601175220.db2.gz DENAABKUSHIEHN-SNVBAGLBSA-N -1 0 322.317 -0.010 20 0 DBADRM O=C([O-])NCc1ccc(NC(=O)C(=O)N2CC[C@@H](O)C2)cc1 ZINC000833280843 601175427 /nfs/dbraw/zinc/17/54/27/601175427.db2.gz OLWLQLIIDTZDBH-LLVKDONJSA-N -1 0 307.306 -0.014 20 0 DBADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCC(=O)N2CCNC(=O)C2)C1 ZINC000833359117 601180096 /nfs/dbraw/zinc/18/00/96/601180096.db2.gz ULBKRMLMPCMTLD-VHSXEESVSA-N -1 0 312.322 -0.621 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCN(C2CC2)C(=O)C1)C(=O)[O-] ZINC000828717455 601181206 /nfs/dbraw/zinc/18/12/06/601181206.db2.gz JOCVMMJFBIRZHC-YGRLFVJLSA-N -1 0 311.382 -0.092 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000827571917 601182966 /nfs/dbraw/zinc/18/29/66/601182966.db2.gz VZJWBEAAQBTYMF-VIFPVBQESA-N -1 0 307.368 -0.241 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000827575810 601183045 /nfs/dbraw/zinc/18/30/45/601183045.db2.gz QWGJGRKSZOUDRW-QWRGUYRKSA-N -1 0 320.411 -0.326 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCO1 ZINC000769521440 601185282 /nfs/dbraw/zinc/18/52/82/601185282.db2.gz CMFMBOQHTMYJQL-WCBMZHEXSA-N -1 0 308.294 -0.925 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCO1 ZINC000769521434 601185331 /nfs/dbraw/zinc/18/53/31/601185331.db2.gz CMFMBOQHTMYJQL-PSASIEDQSA-N -1 0 308.294 -0.925 20 0 DBADRM C[C@@H](OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000820194400 601188415 /nfs/dbraw/zinc/18/84/15/601188415.db2.gz LFWBYWIBNJROSB-ZCFIWIBFSA-N -1 0 307.262 -0.738 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)OCC(=O)NCCC(=O)[O-])C1 ZINC000825829105 601191552 /nfs/dbraw/zinc/19/15/52/601191552.db2.gz XETZVUPVUHXBML-CYBMUJFWSA-N -1 0 300.311 -0.621 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)OCC(=O)NCCC(=O)[O-])C1 ZINC000825829106 601191614 /nfs/dbraw/zinc/19/16/14/601191614.db2.gz XETZVUPVUHXBML-ZDUSSCGKSA-N -1 0 300.311 -0.621 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCN(c3ncccn3)CC2)nn1 ZINC000321508115 601194127 /nfs/dbraw/zinc/19/41/27/601194127.db2.gz HPVZSPHVJMXHDE-UHFFFAOYSA-N -1 0 317.309 -0.885 20 0 DBADRM CN(C)[C@H](CNC(=O)Cn1cc(C(=O)[O-])nn1)c1ccco1 ZINC000830581462 601194819 /nfs/dbraw/zinc/19/48/19/601194819.db2.gz OIFSZOKDIANONR-SNVBAGLBSA-N -1 0 307.310 -0.012 20 0 DBADRM CC(C)(CNC(=O)N1CCO[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000093535388 601195522 /nfs/dbraw/zinc/19/55/22/601195522.db2.gz ALXSZWTYISXUIR-MRVPVSSYSA-N -1 0 308.356 -0.695 20 0 DBADRM CCCNC(=O)[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000829508048 601198998 /nfs/dbraw/zinc/19/89/98/601198998.db2.gz NXQATIFRYLGEHJ-SNVBAGLBSA-N -1 0 323.353 -0.259 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCC(=O)Nc2cccnc2)nn1 ZINC000833121150 601199338 /nfs/dbraw/zinc/19/93/38/601199338.db2.gz CSYUIEWXBRHUHF-UHFFFAOYSA-N -1 0 304.266 -0.874 20 0 DBADRM CNC(=O)CNS(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000830992122 601211134 /nfs/dbraw/zinc/21/11/34/601211134.db2.gz YANIVGPHZCNLCK-UHFFFAOYSA-N -1 0 308.337 -0.521 20 0 DBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@H](C)CC(N)=O ZINC000831929967 601217022 /nfs/dbraw/zinc/21/70/22/601217022.db2.gz SXDOBPRAAQNZSQ-RXMQYKEDSA-N -1 0 322.364 -0.003 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000821547456 601244542 /nfs/dbraw/zinc/24/45/42/601244542.db2.gz UUTUYHORATZBQW-SNVBAGLBSA-N -1 0 303.274 -0.239 20 0 DBADRM Cc1[nH]c(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c(C)c1C(=O)[O-] ZINC000832843448 601244750 /nfs/dbraw/zinc/24/47/50/601244750.db2.gz MFEDRRCYEGFRNK-QMMMGPOBSA-N -1 0 320.305 -0.294 20 0 DBADRM Cc1nn(C)c(C)c1CCNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000833014827 601254873 /nfs/dbraw/zinc/25/48/73/601254873.db2.gz RMZUKCSYZBBHPL-UHFFFAOYSA-N -1 0 318.399 -0.180 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)Cn2ccc(=O)[nH]c2=O)n1 ZINC000037433726 601254326 /nfs/dbraw/zinc/25/43/26/601254326.db2.gz GDYRCNUNSFQCJS-UHFFFAOYSA-N -1 0 310.291 -0.741 20 0 DBADRM C[C@H](CN1CCCC1=O)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000088769241 601255590 /nfs/dbraw/zinc/25/55/90/601255590.db2.gz ZOUPVRODEKQJAC-SECBINFHSA-N -1 0 307.372 -0.762 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)OC ZINC000830429679 601255846 /nfs/dbraw/zinc/25/58/46/601255846.db2.gz JNWXXVSMCGXWPM-ZETCQYMHSA-N -1 0 305.312 -0.802 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)OC ZINC000830429678 601255989 /nfs/dbraw/zinc/25/59/89/601255989.db2.gz JNWXXVSMCGXWPM-SSDOTTSWSA-N -1 0 305.312 -0.802 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2c[nH]cn2)CC1 ZINC000827385099 601257571 /nfs/dbraw/zinc/25/75/71/601257571.db2.gz FWGNKYFTDNGTEL-SECBINFHSA-N -1 0 302.356 -0.421 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000827385716 601257929 /nfs/dbraw/zinc/25/79/29/601257929.db2.gz NWQFXJFHGSXGSY-JTQLQIEISA-N -1 0 316.383 -0.410 20 0 DBADRM COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000831059058 601258646 /nfs/dbraw/zinc/25/86/46/601258646.db2.gz DGNFOUQJVNXHKI-VIFPVBQESA-N -1 0 322.383 -0.089 20 0 DBADRM C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@H](C)N1CCOCC1 ZINC000827747346 601259934 /nfs/dbraw/zinc/25/99/34/601259934.db2.gz MCUJNABZCRDNBV-QWRGUYRKSA-N -1 0 323.415 -0.664 20 0 DBADRM CC(=O)N1CCC(CNS(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000825828839 601259969 /nfs/dbraw/zinc/25/99/69/601259969.db2.gz OQKGORXZQXZXHI-UHFFFAOYSA-N -1 0 321.399 -0.514 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000088772466 601263435 /nfs/dbraw/zinc/26/34/35/601263435.db2.gz IYMXNILAWHEKBS-NSHDSACASA-N -1 0 321.399 -0.956 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000226453730 601263647 /nfs/dbraw/zinc/26/36/47/601263647.db2.gz IYMXNILAWHEKBS-LLVKDONJSA-N -1 0 321.399 -0.956 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])CC1=O ZINC000828201306 601264004 /nfs/dbraw/zinc/26/40/04/601264004.db2.gz QXYSPQRVYYIFOT-OPRDCNLKSA-N -1 0 319.383 -0.763 20 0 DBADRM CCOC(=O)CCS(=O)(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000829847699 601270401 /nfs/dbraw/zinc/27/04/01/601270401.db2.gz NJGGDOBOSBZEQM-UHFFFAOYSA-N -1 0 323.367 -0.117 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)C(=O)OC ZINC000831133175 601272163 /nfs/dbraw/zinc/27/21/63/601272163.db2.gz CNBVYQNKQDBIDA-SECBINFHSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)ccn1 ZINC000831235631 601272465 /nfs/dbraw/zinc/27/24/65/601272465.db2.gz ARKCNATUJNCUTR-SECBINFHSA-N -1 0 310.262 -0.386 20 0 DBADRM NC(=O)c1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000833084052 601272835 /nfs/dbraw/zinc/27/28/35/601272835.db2.gz HTUVBXVZXXBPJD-UHFFFAOYSA-N -1 0 303.278 -0.608 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@H](C(N)=O)c1ccccc1)C(=O)[O-] ZINC000827545448 601273650 /nfs/dbraw/zinc/27/36/50/601273650.db2.gz AGPJVZSXRBSDIR-WPRPVWTQSA-N -1 0 300.336 -0.147 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cnc2c(cnn2C)c1 ZINC000831071369 601274058 /nfs/dbraw/zinc/27/40/58/601274058.db2.gz CBCMAHPYPGMUFL-SECBINFHSA-N -1 0 306.278 -0.286 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000831015753 601275357 /nfs/dbraw/zinc/27/53/57/601275357.db2.gz GIULTALLLAVFIN-UHFFFAOYSA-N -1 0 317.305 -0.348 20 0 DBADRM CNC(=O)[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccccc1 ZINC000830974974 601277182 /nfs/dbraw/zinc/27/71/82/601277182.db2.gz HOGHUQWACVKGFE-GFCCVEGCSA-N -1 0 317.305 -0.420 20 0 DBADRM NC(=O)Cn1cc(C(=O)Nc2ccc(F)cc2C(=O)[O-])nn1 ZINC000833082426 601277413 /nfs/dbraw/zinc/27/74/13/601277413.db2.gz BLKSGYCHYLYERC-UHFFFAOYSA-N -1 0 307.241 -0.147 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC000831144819 601277775 /nfs/dbraw/zinc/27/77/75/601277775.db2.gz TWJKESLGDCPJQD-SNVBAGLBSA-N -1 0 321.289 -0.717 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000826651487 601279678 /nfs/dbraw/zinc/27/96/78/601279678.db2.gz FEFANIUJIBDJNA-SNVBAGLBSA-N -1 0 323.353 -0.261 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCC(=O)Nc2cccc(F)c2)nn1 ZINC000833122439 601279769 /nfs/dbraw/zinc/27/97/69/601279769.db2.gz ZARMJIRNYYNELT-UHFFFAOYSA-N -1 0 321.268 -0.130 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCC(=O)NC2CCCCC2)nn1 ZINC000833121380 601279806 /nfs/dbraw/zinc/27/98/06/601279806.db2.gz FTTKJUGWXDSJTK-UHFFFAOYSA-N -1 0 309.326 -0.459 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCN(CC(F)F)CC2)nn1 ZINC000833340444 601279814 /nfs/dbraw/zinc/27/98/14/601279814.db2.gz UIPSTQRQVBCTAC-UHFFFAOYSA-N -1 0 303.269 -0.614 20 0 DBADRM Cn1ncc(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)c1N ZINC000833062405 601282583 /nfs/dbraw/zinc/28/25/83/601282583.db2.gz OSUNFRXQRPZTLO-UHFFFAOYSA-N -1 0 310.310 -0.518 20 0 DBADRM CCOCCN1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000830011803 601284324 /nfs/dbraw/zinc/28/43/24/601284324.db2.gz OHMGZLWMKZNZIF-UHFFFAOYSA-N -1 0 311.342 -0.843 20 0 DBADRM C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)N1CCCC[C@@H]1C ZINC000827635662 601285408 /nfs/dbraw/zinc/28/54/08/601285408.db2.gz GVVWVKKJSZYNAH-UWVGGRQHSA-N -1 0 323.353 -0.118 20 0 DBADRM Cn1cc([C@@H]2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)C2)cn1 ZINC000833043376 601286908 /nfs/dbraw/zinc/28/69/08/601286908.db2.gz PLRGDKKXYGORGT-SECBINFHSA-N -1 0 304.310 -0.274 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000830946005 601286993 /nfs/dbraw/zinc/28/69/93/601286993.db2.gz DQBXJMGLQKUNRS-UHFFFAOYSA-N -1 0 320.349 -0.326 20 0 DBADRM COCCN1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@H]1C ZINC000831744054 601287323 /nfs/dbraw/zinc/28/73/23/601287323.db2.gz FEBZXIAEEVCJEM-SNVBAGLBSA-N -1 0 311.342 -0.845 20 0 DBADRM Cc1nn(C)c(C)c1CN(C)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833014370 601288387 /nfs/dbraw/zinc/28/83/87/601288387.db2.gz ITHSBRMAMDVRPO-UHFFFAOYSA-N -1 0 306.326 -0.015 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCOC[C@@H]2C(F)(F)F)nn1 ZINC000833337608 601289037 /nfs/dbraw/zinc/28/90/37/601289037.db2.gz FLOSFVQCKPSGKN-SSDOTTSWSA-N -1 0 308.216 -0.234 20 0 DBADRM COC(=O)[C@H](CNC(=O)Cn1cc(C(=O)[O-])nn1)CC(C)C ZINC000831071668 601290438 /nfs/dbraw/zinc/29/04/38/601290438.db2.gz FOKZIDMCSPSYGO-VIFPVBQESA-N -1 0 312.326 -0.072 20 0 DBADRM Cn1cc(N2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)CC2)cn1 ZINC000833046828 601291598 /nfs/dbraw/zinc/29/15/98/601291598.db2.gz GPLGKMNBFSXZKR-UHFFFAOYSA-N -1 0 319.325 -0.941 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CCN1C(=O)CCC1=O ZINC000831549253 601293089 /nfs/dbraw/zinc/29/30/89/601293089.db2.gz QUFVYZCKERAIQV-CYBMUJFWSA-N -1 0 300.311 -0.479 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000831545586 601299290 /nfs/dbraw/zinc/29/92/90/601299290.db2.gz ZUZSCENKUNQACS-RNCFNFMXSA-N -1 0 301.343 -0.227 20 0 DBADRM COC[C@@](C)(CC(=O)OC)NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000831591381 601300639 /nfs/dbraw/zinc/30/06/39/601300639.db2.gz TWYMMLCRJWLYMB-GFCCVEGCSA-N -1 0 314.298 -0.939 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(S(N)(=O)=O)o1 ZINC000831567857 601301627 /nfs/dbraw/zinc/30/16/27/601301627.db2.gz MZWHTTWEUPUFLU-LLVKDONJSA-N -1 0 320.323 -0.463 20 0 DBADRM CCC(CC)(CC(=O)[O-])NC(=O)CN1CCS(=O)(=O)CC1 ZINC000828779959 601307982 /nfs/dbraw/zinc/30/79/82/601307982.db2.gz LUGGECBFIWOETK-UHFFFAOYSA-N -1 0 320.411 -0.134 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000831025607 601308020 /nfs/dbraw/zinc/30/80/20/601308020.db2.gz UXXKQCPARGNFRB-SSDOTTSWSA-N -1 0 306.365 -0.071 20 0 DBADRM O=C([O-])[C@H]1CN(CC(=O)NCC(=O)c2ccccc2)CCO1 ZINC000819153726 601314752 /nfs/dbraw/zinc/31/47/52/601314752.db2.gz LLRMGYUMGAUPKW-CYBMUJFWSA-N -1 0 306.318 -0.229 20 0 DBADRM CN(C)c1nc(N)nc(CN(CCC(=O)[O-])C[C@@H]2CCCO2)n1 ZINC000830647810 601317882 /nfs/dbraw/zinc/31/78/82/601317882.db2.gz WVWDRTHVGMIVRK-JTQLQIEISA-N -1 0 324.385 -0.025 20 0 DBADRM COC(=O)c1cc(NC(=O)Cn2cc(C(=O)[O-])nn2)cn1C ZINC000831277546 601320116 /nfs/dbraw/zinc/32/01/16/601320116.db2.gz SOKAVKYJHLNQNO-UHFFFAOYSA-N -1 0 307.266 -0.260 20 0 DBADRM COC(=O)c1cn(CC(=O)Nc2cc(C(=O)[O-])n(C)c2)nn1 ZINC000831462002 601320182 /nfs/dbraw/zinc/32/01/82/601320182.db2.gz MVXBFLSMHRVMJW-UHFFFAOYSA-N -1 0 307.266 -0.260 20 0 DBADRM O=C([O-])CC1(NC(=O)CN2CCCS2(=O)=O)CCOCC1 ZINC000833203148 601326816 /nfs/dbraw/zinc/32/68/16/601326816.db2.gz KTLMZXYPFCSUBW-UHFFFAOYSA-N -1 0 320.367 -0.838 20 0 DBADRM CCN1CCO[C@@H](C(=O)NC2(CC(=O)[O-])CCOCC2)C1 ZINC000829780470 601327146 /nfs/dbraw/zinc/32/71/46/601327146.db2.gz HVUSAMUHWBKTLN-LLVKDONJSA-N -1 0 300.355 -0.153 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)CCSCC(=O)[O-] ZINC000831024357 601331343 /nfs/dbraw/zinc/33/13/43/601331343.db2.gz GQMYGYMCYGIHCQ-SECBINFHSA-N -1 0 324.424 -0.266 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NC2(CC(=O)[O-])CCOCC2)c1=O ZINC000833037651 601342884 /nfs/dbraw/zinc/34/28/84/601342884.db2.gz LSXJMXSOJXVERU-UHFFFAOYSA-N -1 0 311.294 -0.760 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)Cn1ccnc1S(C)(=O)=O)C(=O)[O-] ZINC000828728105 601347116 /nfs/dbraw/zinc/34/71/16/601347116.db2.gz HKVDTYYUGHZSJE-SCZZXKLOSA-N -1 0 317.367 -0.098 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)N[C@@H]1CCCNC1=O ZINC000833164229 601349845 /nfs/dbraw/zinc/34/98/45/601349845.db2.gz VTXCXBIALHZUKU-SSDOTTSWSA-N -1 0 311.319 -0.220 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1=O ZINC000830912837 601350204 /nfs/dbraw/zinc/35/02/04/601350204.db2.gz CRIUUTSOHNUHNR-NSHDSACASA-N -1 0 319.317 -0.401 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCN(C)C(=O)C2)cc1C(=O)[O-] ZINC000832937488 601363597 /nfs/dbraw/zinc/36/35/97/601363597.db2.gz QFPZMDRNWDOIPH-UHFFFAOYSA-N -1 0 319.317 -0.068 20 0 DBADRM C[C@@H](CCO)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000827417473 601364765 /nfs/dbraw/zinc/36/47/65/601364765.db2.gz JTTAEUWMKQTONP-CABZTGNLSA-N -1 0 322.317 -0.248 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=S)NCCN2CCOCC2)CCO1 ZINC000833221748 601368278 /nfs/dbraw/zinc/36/82/78/601368278.db2.gz MYWMIPHLSVUKTQ-NSHDSACASA-N -1 0 317.411 -0.631 20 0 DBADRM CC(C)CN1C(=O)C(=O)N(CN2CC[C@@](F)(C(=O)[O-])C2)C1=O ZINC000826881541 601371372 /nfs/dbraw/zinc/37/13/72/601371372.db2.gz YFWSQTGMRXNHHB-ZDUSSCGKSA-N -1 0 315.301 -0.111 20 0 DBADRM CC[C@@](C)(NC(=O)CNS(=O)(=O)CCOC(C)C)C(=O)[O-] ZINC000262369283 601372611 /nfs/dbraw/zinc/37/26/11/601372611.db2.gz AODSVHAGBIULEH-GFCCVEGCSA-N -1 0 324.399 -0.300 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000826127154 601373207 /nfs/dbraw/zinc/37/32/07/601373207.db2.gz OTTLJBXUQOMRJU-UHFFFAOYSA-N -1 0 320.349 -0.199 20 0 DBADRM CCCN1C(=O)C(=O)N(CN2CCO[C@H](CC(=O)[O-])C2)C1=O ZINC000829502282 601374166 /nfs/dbraw/zinc/37/41/66/601374166.db2.gz PKTUCPSUKHFWEG-SECBINFHSA-N -1 0 313.310 -0.680 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CNC(=O)c1ccoc1C)C(=O)[O-] ZINC000831129186 601384327 /nfs/dbraw/zinc/38/43/27/601384327.db2.gz SSNSRWPSWRUVKS-SECBINFHSA-N -1 0 312.278 -0.550 20 0 DBADRM COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000831094793 601390804 /nfs/dbraw/zinc/39/08/04/601390804.db2.gz UKEGIMZIGDVEJH-LLVKDONJSA-N -1 0 320.298 -0.011 20 0 DBADRM COC(=O)[C@]1(F)CCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000831094477 601391378 /nfs/dbraw/zinc/39/13/78/601391378.db2.gz QTOBFSKIGQASNY-JTQLQIEISA-N -1 0 312.319 -0.775 20 0 DBADRM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000163424070 601392677 /nfs/dbraw/zinc/39/26/77/601392677.db2.gz MTWRDOLUJLKLMI-ZETCQYMHSA-N -1 0 319.291 -0.460 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000234365649 601395337 /nfs/dbraw/zinc/39/53/37/601395337.db2.gz FSTZMLAZOGJVMG-ZETCQYMHSA-N -1 0 303.340 -0.285 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000234366877 601395397 /nfs/dbraw/zinc/39/53/97/601395397.db2.gz CTRUHQLOYZKIRM-ZETCQYMHSA-N -1 0 304.324 -0.020 20 0 DBADRM CCOC(=O)[C@@H](CC1CC1)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000829823573 601395690 /nfs/dbraw/zinc/39/56/90/601395690.db2.gz XWQGMLYDLYGRAP-SNVBAGLBSA-N -1 0 322.383 -0.041 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000049099004 601400645 /nfs/dbraw/zinc/40/06/45/601400645.db2.gz LAHBQIDDVMLWHB-SSDOTTSWSA-N -1 0 316.335 -0.194 20 0 DBADRM COC(=O)CN(C1CC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000831163966 601402773 /nfs/dbraw/zinc/40/27/73/601402773.db2.gz IWCVNHIXWBOWGM-UHFFFAOYSA-N -1 0 320.367 -0.335 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)Nc2ccccc2S1(=O)=O ZINC000821529890 601408911 /nfs/dbraw/zinc/40/89/11/601408911.db2.gz QWCQNRAHPOCTFF-UHFFFAOYSA-N -1 0 313.291 -0.576 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1c1ccc(C(=O)[O-])nn1 ZINC000831029571 601410743 /nfs/dbraw/zinc/41/07/43/601410743.db2.gz WNHRCQMQFSQPDA-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM C/C(=C/COC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000825769068 601413453 /nfs/dbraw/zinc/41/34/53/601413453.db2.gz HDPMVIILNNJMNH-BAQGIRSFSA-N -1 0 306.278 -0.296 20 0 DBADRM C/C(=C/COC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000825770139 601421276 /nfs/dbraw/zinc/42/12/76/601421276.db2.gz VGARZRHRPFVIBT-UQCOIBPSSA-N -1 0 303.296 -0.895 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000825983393 601439692 /nfs/dbraw/zinc/43/96/92/601439692.db2.gz XJNRFCNAKYPABR-RULNRJAQSA-N -1 0 315.345 -0.403 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000831643887 601440239 /nfs/dbraw/zinc/44/02/39/601440239.db2.gz RIKLFKPKYUBQAI-UFBFGSQYSA-N -1 0 305.306 -0.654 20 0 DBADRM CCN1CCN(C(=O)[C@H](C)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000829771061 601458845 /nfs/dbraw/zinc/45/88/45/601458845.db2.gz RHNFLASACWFGQZ-QWHCGFSZSA-N -1 0 313.398 -0.286 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NC[C@@H]1COCCO1 ZINC000819592177 601469092 /nfs/dbraw/zinc/46/90/92/601469092.db2.gz IVGSVMQTEWEWAS-LLVKDONJSA-N -1 0 322.317 -0.216 20 0 DBADRM CN1CC[C@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1=O ZINC000818478219 601473108 /nfs/dbraw/zinc/47/31/08/601473108.db2.gz GYTRWHAZDHHZSP-NSHDSACASA-N -1 0 319.317 -0.401 20 0 DBADRM COC[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818530659 601473121 /nfs/dbraw/zinc/47/31/21/601473121.db2.gz RCNIAXSSELVKGA-OAHLLOKOSA-N -1 0 324.333 -0.234 20 0 DBADRM CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O ZINC000828671188 601480000 /nfs/dbraw/zinc/48/00/00/601480000.db2.gz BEMCIHGYNSJZBC-JTQLQIEISA-N -1 0 315.413 -0.016 20 0 DBADRM C[C@H](OC(=O)CCOC1CCOCC1)C(=O)NCC(=O)[O-] ZINC000827833394 601483734 /nfs/dbraw/zinc/48/37/34/601483734.db2.gz GPFFMSZQEUHDOB-VIFPVBQESA-N -1 0 303.311 -0.295 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000831000589 601496724 /nfs/dbraw/zinc/49/67/24/601496724.db2.gz IDYLDZHWZNFSFS-MRVPVSSYSA-N -1 0 323.305 -0.661 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1)C(=O)N(C)C ZINC000832803483 601496870 /nfs/dbraw/zinc/49/68/70/601496870.db2.gz MIPINYLZYHEVSV-MRVPVSSYSA-N -1 0 307.306 -0.084 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)NCCCC(=O)[O-])o1 ZINC000818648546 601498524 /nfs/dbraw/zinc/49/85/24/601498524.db2.gz XHAYOHNWFFEEKO-UHFFFAOYSA-N -1 0 304.324 -0.077 20 0 DBADRM NC(=O)[C@@H]1CCCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000833080518 601505102 /nfs/dbraw/zinc/50/51/02/601505102.db2.gz OTDWJAZNJLNRQV-SECBINFHSA-N -1 0 304.368 -0.232 20 0 DBADRM CCN1CCO[C@@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000829785774 601516460 /nfs/dbraw/zinc/51/64/60/601516460.db2.gz FAEDAKWPKVGMKU-NSHDSACASA-N -1 0 320.411 -0.119 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000833201252 601521622 /nfs/dbraw/zinc/52/16/22/601521622.db2.gz AUZHNAQRPQAGTC-VIFPVBQESA-N -1 0 317.367 -0.720 20 0 DBADRM CC[C@H](NS(=O)(=O)CCCC(=O)[O-])C(=O)N1CCOCC1 ZINC000828989064 601523215 /nfs/dbraw/zinc/52/32/15/601523215.db2.gz ORIUANJKTAEDRS-JTQLQIEISA-N -1 0 322.383 -0.592 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)o1 ZINC000833087909 601528008 /nfs/dbraw/zinc/52/80/08/601528008.db2.gz AROVJBAQZUHHFZ-ZETCQYMHSA-N -1 0 302.308 -0.090 20 0 DBADRM C[C@@H]1CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@@H]1C(=O)[O-] ZINC000828466009 601529760 /nfs/dbraw/zinc/52/97/60/601529760.db2.gz ZZBPUEWYCDHDFW-SFYZADRCSA-N -1 0 321.337 -0.887 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)nn1 ZINC000830556308 601539299 /nfs/dbraw/zinc/53/92/99/601539299.db2.gz AGRQBXHFFOYHGI-VIFPVBQESA-N -1 0 309.326 -0.651 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828421506 601550809 /nfs/dbraw/zinc/55/08/09/601550809.db2.gz GIOQNBMFNPSBHA-GWOFURMSSA-N -1 0 318.395 -0.669 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@@](F)(C(=O)[O-])C2)C1 ZINC000825870762 601555558 /nfs/dbraw/zinc/55/55/58/601555558.db2.gz BRKOGVBSHLXKJN-RISCZKNCSA-N -1 0 315.345 -0.388 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(CC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000833107998 601556712 /nfs/dbraw/zinc/55/67/12/601556712.db2.gz ZHWGXGCXGFWFGB-CYBMUJFWSA-N -1 0 316.329 -0.150 20 0 DBADRM O=C([O-])[C@@H]1COCCN1CC(=O)NCC(=O)c1ccccc1 ZINC000833107619 601558656 /nfs/dbraw/zinc/55/86/56/601558656.db2.gz FSTUPUSRSXKSMF-LBPRGKRZSA-N -1 0 306.318 -0.229 20 0 DBADRM Cn1ncc2c1nnn(CN1CCC3(C[C@@H]3C(=O)[O-])CC1)c2=O ZINC000833062230 601559938 /nfs/dbraw/zinc/55/99/38/601559938.db2.gz LJHTXZDHWBDBBQ-SNVBAGLBSA-N -1 0 318.337 -0.331 20 0 DBADRM O=C([O-])c1ncn(CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)n1 ZINC000833344726 601560417 /nfs/dbraw/zinc/56/04/17/601560417.db2.gz HGTXZUMMDDZPTG-VHSXEESVSA-N -1 0 314.367 -0.025 20 0 DBADRM O=C([O-])[C@H]1COCCN1CC(=O)N1CCC2(CC1)OCCO2 ZINC000833193198 601562511 /nfs/dbraw/zinc/56/25/11/601562511.db2.gz XCSLWTULYNBJFR-LLVKDONJSA-N -1 0 314.338 -0.863 20 0 DBADRM NC(=O)[C@@H]1CCCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000833081764 601567355 /nfs/dbraw/zinc/56/73/55/601567355.db2.gz WZPUDUCFVBMNCT-ZCFIWIBFSA-N -1 0 319.364 -0.273 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C[C@H](O)COCc1ccccc1 ZINC000309578853 601568703 /nfs/dbraw/zinc/56/87/03/601568703.db2.gz RJJSINKNNPLOGN-UONOGXRCSA-N -1 0 322.361 -0.161 20 0 DBADRM O=C([O-])C[C@H]1CN(CC(=O)NC(=O)NC2CCCC2)CCO1 ZINC000316914076 601571968 /nfs/dbraw/zinc/57/19/68/601571968.db2.gz YYYHSYWCWSSXLZ-NSHDSACASA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])c1ccc2c(=O)[nH]c(CN(CCO)CCO)nc2c1 ZINC000833324500 601575216 /nfs/dbraw/zinc/57/52/16/601575216.db2.gz ADJITNMDPNMDQZ-UHFFFAOYSA-N -1 0 307.306 -0.180 20 0 DBADRM Nc1c(C(=O)CN(CC(=O)[O-])C2CC2)c(=O)[nH]c(=O)n1C1CC1 ZINC000738446775 601580676 /nfs/dbraw/zinc/58/06/76/601580676.db2.gz QPNFUCGRNCVAHR-UHFFFAOYSA-N -1 0 322.321 -0.402 20 0 DBADRM C[C@]1([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)NC(=O)NC1=O ZINC000828088229 601583493 /nfs/dbraw/zinc/58/34/93/601583493.db2.gz HLPUNGJZCYVIMJ-UZVNTWEBSA-N -1 0 309.322 -0.456 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N(C)C2CCOCC2)C[C@@H]1C(=O)[O-] ZINC000828471848 601589325 /nfs/dbraw/zinc/58/93/25/601589325.db2.gz OSBHZMRQUBVCQS-KOLCDFICSA-N -1 0 306.384 -0.006 20 0 DBADRM C[C@H](OC(=O)c1cnn(C)c1N)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000827872880 601590096 /nfs/dbraw/zinc/59/00/96/601590096.db2.gz AKFUWXVEHUIMHI-QMMMGPOBSA-N -1 0 324.337 -0.129 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](C(=O)[O-])C2CC2)C1=O ZINC000828082323 601593048 /nfs/dbraw/zinc/59/30/48/601593048.db2.gz NVAJAXVOEQSKFR-HZMBPMFUSA-N -1 0 309.322 -0.314 20 0 DBADRM Cn1cc(C(=O)NCC2(C(=O)[O-])CCCC2)c(=O)n(C)c1=O ZINC000833041752 601600335 /nfs/dbraw/zinc/60/03/35/601600335.db2.gz PXZXMAJSWXNRLJ-UHFFFAOYSA-N -1 0 309.322 -0.541 20 0 DBADRM COCCS(=O)(=O)CC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000831788517 601602700 /nfs/dbraw/zinc/60/27/00/601602700.db2.gz XRAUUZGSYRQEEP-UHFFFAOYSA-N -1 0 307.368 -0.191 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1C(N)=O ZINC000137192661 601613456 /nfs/dbraw/zinc/61/34/56/601613456.db2.gz NZHIHUYFJHIKOC-VIFPVBQESA-N -1 0 315.351 -0.344 20 0 DBADRM COCCCn1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC000818537149 601628699 /nfs/dbraw/zinc/62/86/99/601628699.db2.gz VGMGPVCBHYFSBQ-JTQLQIEISA-N -1 0 324.337 -0.209 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)c1=O ZINC000833056362 601629973 /nfs/dbraw/zinc/62/99/73/601629973.db2.gz PBFNTXUCBGNZPQ-VIFPVBQESA-N -1 0 307.306 -0.353 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1=O ZINC000833055781 601630045 /nfs/dbraw/zinc/63/00/45/601630045.db2.gz KCTYXBASTADGHG-CYBMUJFWSA-N -1 0 311.269 -0.651 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N(CC(=O)[O-])C2CC2)C1=O ZINC000828082580 601634989 /nfs/dbraw/zinc/63/49/89/601634989.db2.gz RIWGMGCADOUMAQ-CQSZACIVSA-N -1 0 309.322 -0.218 20 0 DBADRM CN(CC(=O)N(CC(=O)[O-])C1CC1)c1ncnc2nc[nH]c21 ZINC000830661208 601637400 /nfs/dbraw/zinc/63/74/00/601637400.db2.gz TVZSJNHAOAFEBS-UHFFFAOYSA-N -1 0 304.310 -0.135 20 0 DBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)CCCC(=O)[O-] ZINC000699096168 601637453 /nfs/dbraw/zinc/63/74/53/601637453.db2.gz JOKJFMYTOGDIOR-UHFFFAOYSA-N -1 0 301.386 -0.453 20 0 DBADRM C[C@@H]1CN(C(=O)NCCC(=O)N2CCOCC2)C[C@@H]1C(=O)[O-] ZINC000317953128 601649559 /nfs/dbraw/zinc/64/95/59/601649559.db2.gz HKJRFCJTPDMKEE-MNOVXSKESA-N -1 0 313.354 -0.403 20 0 DBADRM C[C@H]1CN(C(=O)NCCC(=O)N2CCOCC2)C[C@@H]1C(=O)[O-] ZINC000317953843 601649628 /nfs/dbraw/zinc/64/96/28/601649628.db2.gz HKJRFCJTPDMKEE-QWRGUYRKSA-N -1 0 313.354 -0.403 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)c2cnc3n(c2=O)CCS3)C1 ZINC000833356252 601649829 /nfs/dbraw/zinc/64/98/29/601649829.db2.gz DNDFBZMPFZAONM-LBPRGKRZSA-N -1 0 313.310 -0.012 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000828354236 601651255 /nfs/dbraw/zinc/65/12/55/601651255.db2.gz HLVHSOJDHYEDER-NXEZZACHSA-N -1 0 321.399 -0.370 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000825876321 601653275 /nfs/dbraw/zinc/65/32/75/601653275.db2.gz VGYFEIHOJYMPRS-ZDUSSCGKSA-N -1 0 317.317 -0.956 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000767216089 601656332 /nfs/dbraw/zinc/65/63/32/601656332.db2.gz FAHVDRURSGYFCD-CQSZACIVSA-N -1 0 320.280 -0.183 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)o1 ZINC000262876350 601657117 /nfs/dbraw/zinc/65/71/17/601657117.db2.gz YIRYIRJJFAPGCL-NSHDSACASA-N -1 0 320.298 -0.174 20 0 DBADRM CC(C)(CNC(=O)NCCN1CCCS1(=O)=O)C(=O)[O-] ZINC000405855375 601668680 /nfs/dbraw/zinc/66/86/80/601668680.db2.gz AJQAUUKWCXSIQH-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C[C@@H]2C)CC1 ZINC000825841903 601672170 /nfs/dbraw/zinc/67/21/70/601672170.db2.gz XERSLXJKLMLJRU-IGHBBLSQSA-N -1 0 323.393 -0.282 20 0 DBADRM CC(C)(CNC(=O)N1CCCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000826567642 601683212 /nfs/dbraw/zinc/68/32/12/601683212.db2.gz IQOXWBUWHILLSY-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCC(C)(C)C(=O)[O-])C1 ZINC000831020147 601683597 /nfs/dbraw/zinc/68/35/97/601683597.db2.gz NJBSBWSIKBVPOM-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)N2C[C@H](O)C[C@H](O)C2)c(C(=O)[O-])c1C ZINC000825928935 601687185 /nfs/dbraw/zinc/68/71/85/601687185.db2.gz KUWXBUDYHSPWOG-AOOOYVTPSA-N -1 0 324.333 -0.279 20 0 DBADRM Cc1cc(C(=O)NC2=NCC(=O)N2)cc(C)c1OCC(=O)[O-] ZINC000832863672 601687912 /nfs/dbraw/zinc/68/79/12/601687912.db2.gz UMWHWBIHDJWGGB-UHFFFAOYSA-N -1 0 305.290 -0.018 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)nn1 ZINC000833340518 601690417 /nfs/dbraw/zinc/69/04/17/601690417.db2.gz VDQHBOBFRJYENZ-WDEREUQCSA-N -1 0 310.310 -0.617 20 0 DBADRM COC[C@@](C)(NC(=O)c1cn(Cc2ccccn2)nn1)C(=O)[O-] ZINC000831628096 601691304 /nfs/dbraw/zinc/69/13/04/601691304.db2.gz ZRGMBSUJCXRRBM-CQSZACIVSA-N -1 0 319.321 -0.059 20 0 DBADRM COC[C@](C)(NC(=O)CSc1nnnn1C1CC1)C(=O)[O-] ZINC000328551164 601692177 /nfs/dbraw/zinc/69/21/77/601692177.db2.gz TXFFQJWWXXEJMU-NSHDSACASA-N -1 0 315.355 -0.294 20 0 DBADRM C[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C[C@H]1C(=O)[O-] ZINC000263203104 601695365 /nfs/dbraw/zinc/69/53/65/601695365.db2.gz MRBVARLMDPDBPS-FFIJEWMLSA-N -1 0 323.349 -0.114 20 0 DBADRM COC[C@@](C)(NC(=O)COc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000831608389 601696488 /nfs/dbraw/zinc/69/64/88/601696488.db2.gz NZTSHGSSYJIINH-CQSZACIVSA-N -1 0 310.306 -0.230 20 0 DBADRM COC[C@@](C)(NC(=O)CCCN1C(=O)CN(C)C1=O)C(=O)[O-] ZINC000328517653 601697668 /nfs/dbraw/zinc/69/76/68/601697668.db2.gz FNLKYBFHZSIQGV-CYBMUJFWSA-N -1 0 315.326 -0.734 20 0 DBADRM COC[C@@](C)(NC(=O)CCSc1nnnn1C)C(=O)[O-] ZINC000831602575 601700314 /nfs/dbraw/zinc/70/03/14/601700314.db2.gz MEMLMFXNOTXLRZ-SNVBAGLBSA-N -1 0 303.344 -0.702 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1)C(C)C ZINC000831540973 601700704 /nfs/dbraw/zinc/70/07/04/601700704.db2.gz IKYAXIJIYNGMAF-NHCYSSNCSA-N -1 0 300.355 -0.047 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)C[C@H]1C(=O)[O-] ZINC000828402940 601702095 /nfs/dbraw/zinc/70/20/95/601702095.db2.gz SGTVSEGPTDJZQP-RKDXNWHRSA-N -1 0 309.326 -0.841 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000111249758 601702391 /nfs/dbraw/zinc/70/23/91/601702391.db2.gz OFVMVDUDEABPHB-VWYCJHECSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1CN(C(=O)CCN2CCCS2(=O)=O)C[C@@H]1C(=O)[O-] ZINC000828333286 601704158 /nfs/dbraw/zinc/70/41/58/601704158.db2.gz GJUSIDJGWQAPNB-ZJUUUORDSA-N -1 0 304.368 -0.409 20 0 DBADRM C[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@@H]1C(=O)[O-] ZINC000111251067 601711413 /nfs/dbraw/zinc/71/14/13/601711413.db2.gz DGOHVYJVVYTJAY-KOLCDFICSA-N -1 0 318.395 -0.163 20 0 DBADRM CC(C)(CNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)[O-] ZINC000826562031 601714447 /nfs/dbraw/zinc/71/44/47/601714447.db2.gz XAYXINAMJVCUOE-CQSZACIVSA-N -1 0 311.338 -0.066 20 0 DBADRM C[C@@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000828339864 601719653 /nfs/dbraw/zinc/71/96/53/601719653.db2.gz BCBKACDMKRVBHF-BDAKNGLRSA-N -1 0 306.384 -0.117 20 0 DBADRM NC(=O)COc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000262119422 601720718 /nfs/dbraw/zinc/72/07/18/601720718.db2.gz KPJFBTHDAQQLCN-LLVKDONJSA-N -1 0 308.290 -0.524 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC000833275847 601725084 /nfs/dbraw/zinc/72/50/84/601725084.db2.gz JWYNYKWMAXETQD-MRVPVSSYSA-N -1 0 307.310 -0.148 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)Nc1ccn(CC(=O)[O-])n1)C2 ZINC000833007315 601725104 /nfs/dbraw/zinc/72/51/04/601725104.db2.gz ONUSOCAMUICQEC-UHFFFAOYSA-N -1 0 305.298 -0.085 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)n1 ZINC000833275850 601725152 /nfs/dbraw/zinc/72/51/52/601725152.db2.gz JWYNYKWMAXETQD-QMMMGPOBSA-N -1 0 307.310 -0.148 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2ccnc(-n3cncn3)c2)CCOC1 ZINC000833127177 601725348 /nfs/dbraw/zinc/72/53/48/601725348.db2.gz FTWYZAGQYMPTGQ-CYBMUJFWSA-N -1 0 303.278 -0.364 20 0 DBADRM COCCn1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)ccc1=O ZINC000831800690 601726923 /nfs/dbraw/zinc/72/69/23/601726923.db2.gz QZIFGWNVNNMRRL-CQSZACIVSA-N -1 0 310.306 -0.532 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCO1 ZINC000833216083 601737102 /nfs/dbraw/zinc/73/71/02/601737102.db2.gz YZKLXXSZIVZJBQ-MWLCHTKSSA-N -1 0 322.321 -0.535 20 0 DBADRM O=C(CS(=O)(=O)C1CCCC1)N[C@@]1(C(=O)[O-])CCOC1 ZINC000262163123 601737746 /nfs/dbraw/zinc/73/77/46/601737746.db2.gz NCNUYJKYGPMIHN-LBPRGKRZSA-N -1 0 305.352 -0.296 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000829296571 601739108 /nfs/dbraw/zinc/73/91/08/601739108.db2.gz VODWWHYHEIBNHE-NXEZZACHSA-N -1 0 301.343 -0.084 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000829296575 601739158 /nfs/dbraw/zinc/73/91/58/601739158.db2.gz VODWWHYHEIBNHE-VHSXEESVSA-N -1 0 301.343 -0.084 20 0 DBADRM N#Cc1cccc(NC(=O)CN2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000321355130 970763702 /nfs/dbraw/zinc/76/37/02/970763702.db2.gz AQYKNADRDWHYDF-GFCCVEGCSA-N -1 0 316.317 -0.228 20 0 DBADRM Cc1oc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000261668790 601741232 /nfs/dbraw/zinc/74/12/32/601741232.db2.gz AKOUHLSXVGETCW-ZETCQYMHSA-N -1 0 302.308 -0.218 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)CNC(=O)c2ccc(O)cc2)CCO1 ZINC000833216202 601759963 /nfs/dbraw/zinc/75/99/63/601759963.db2.gz KEZGXSIKIXWAAL-LBPRGKRZSA-N -1 0 322.317 -0.176 20 0 DBADRM CCn1cc(NC(=O)C(=O)NCCSCC(=O)[O-])cn1 ZINC000830424255 601760778 /nfs/dbraw/zinc/76/07/78/601760778.db2.gz NLVPQGBBAZPLMC-UHFFFAOYSA-N -1 0 300.340 -0.225 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cnn1C ZINC000832855199 601762138 /nfs/dbraw/zinc/76/21/38/601762138.db2.gz NEKFCCJEOWVSFU-SECBINFHSA-N -1 0 310.310 -0.631 20 0 DBADRM CC(C)(CNC(=O)C(=O)Nc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000826553567 601764897 /nfs/dbraw/zinc/76/48/97/601764897.db2.gz BVEUXFCXURVSRL-UHFFFAOYSA-N -1 0 307.306 -0.049 20 0 DBADRM C[C@@H](CNC(=O)N1CCO[C@H](CC(=O)[O-])C1)N1CCOCC1 ZINC000827477422 601765087 /nfs/dbraw/zinc/76/50/87/601765087.db2.gz KAAGKDUUWDOVNB-NWDGAFQWSA-N -1 0 315.370 -0.408 20 0 DBADRM O=C([O-])[C@]1(NC(=O)CNC(=O)NCc2ccco2)CCOC1 ZINC000262211237 601767319 /nfs/dbraw/zinc/76/73/19/601767319.db2.gz SBGYFHBXFMOWJB-ZDUSSCGKSA-N -1 0 311.294 -0.561 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cs1 ZINC000833087529 601767708 /nfs/dbraw/zinc/76/77/08/601767708.db2.gz COIBZKDVTRHOHD-JTQLQIEISA-N -1 0 320.348 -0.631 20 0 DBADRM C[C@@H](CS(=O)(=O)NCc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000827563514 601771642 /nfs/dbraw/zinc/77/16/42/601771642.db2.gz NWHJSWOHFWXQAH-QMMMGPOBSA-N -1 0 300.336 -0.074 20 0 DBADRM C[C@@H]1CN(CCNC(=O)N2CCO[C@H](CC(=O)[O-])C2)CCO1 ZINC000828448834 601772296 /nfs/dbraw/zinc/77/22/96/601772296.db2.gz HEYARLWAPOXONA-VXGBXAGGSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000828509037 601772838 /nfs/dbraw/zinc/77/28/38/601772838.db2.gz LRZVSAVNNISSRA-NEPJUHHUSA-N -1 0 315.370 -0.408 20 0 DBADRM CC(C)CN1CCO[C@@H](CNS(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC000826886121 601774833 /nfs/dbraw/zinc/77/48/33/601774833.db2.gz QFCFUQXJQNMWPG-RYUDHWBXSA-N -1 0 322.427 -0.017 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)NCCN2C(=O)CCC2=O)CCO1 ZINC000405332221 601775255 /nfs/dbraw/zinc/77/52/55/601775255.db2.gz BEEVGSJVXYJAGA-VIFPVBQESA-N -1 0 313.310 -0.980 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC(N2CCNC2=O)CC1)C(=O)[O-] ZINC000827540734 601777954 /nfs/dbraw/zinc/77/79/54/601777954.db2.gz GMJBFUVODNHXBC-VIFPVBQESA-N -1 0 319.383 -0.474 20 0 DBADRM COCCOC[C@H](C)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000831762227 601778311 /nfs/dbraw/zinc/77/83/11/601778311.db2.gz DXSIGUVWGFQRNL-WDEREUQCSA-N -1 0 304.343 -0.077 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[O-] ZINC000827554082 601781669 /nfs/dbraw/zinc/78/16/69/601781669.db2.gz SNFVVORQTJWSPK-KOLCDFICSA-N -1 0 314.363 -0.277 20 0 DBADRM CC(=O)N(C)C1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000825819037 601781801 /nfs/dbraw/zinc/78/18/01/601781801.db2.gz AYRMKIBDHHEUTG-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM CNC(=O)C1CCC(NS(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000830979401 601783039 /nfs/dbraw/zinc/78/30/39/601783039.db2.gz VEDNOUVLGSNECW-XNWIYYODSA-N -1 0 306.384 -0.069 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-] ZINC000827546811 601783307 /nfs/dbraw/zinc/78/33/07/601783307.db2.gz PWJAZFSUBGCSAZ-MRVPVSSYSA-N -1 0 300.327 -0.080 20 0 DBADRM C[C@H](CS(=O)(=O)N1CSC[C@@H]1C(=O)N(C)C)C(=O)[O-] ZINC000827547681 601785695 /nfs/dbraw/zinc/78/56/95/601785695.db2.gz VRTBHLQHLDIBMR-HTQZYQBOSA-N -1 0 310.397 -0.500 20 0 DBADRM C[C@@H](CS(=O)(=O)NCCc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000827562695 601785741 /nfs/dbraw/zinc/78/57/41/601785741.db2.gz DEUBNIKCQXSVDM-VIFPVBQESA-N -1 0 314.363 -0.032 20 0 DBADRM COC(=O)N1CCC[C@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC000831203168 601785956 /nfs/dbraw/zinc/78/59/56/601785956.db2.gz GCLCXRRROVGJJD-IUCAKERBSA-N -1 0 308.356 -0.143 20 0 DBADRM CC(=O)N1CCC(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000825828384 601787654 /nfs/dbraw/zinc/78/76/54/601787654.db2.gz FJDPBQBLYNFXMJ-SECBINFHSA-N -1 0 306.384 -0.115 20 0 DBADRM CCOCCN1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000830011897 601789702 /nfs/dbraw/zinc/78/97/02/601789702.db2.gz POXUITSZHYVIEV-LLVKDONJSA-N -1 0 308.400 -0.309 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCO[C@@H](Cn2cccn2)C1)C(=O)[O-] ZINC000827547519 601789901 /nfs/dbraw/zinc/78/99/01/601789901.db2.gz UPGKDYJEYCEBIS-QWRGUYRKSA-N -1 0 317.367 -0.366 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCO[C@H](Cn2cccn2)C1)C(=O)[O-] ZINC000827547517 601789948 /nfs/dbraw/zinc/78/99/48/601789948.db2.gz UPGKDYJEYCEBIS-GHMZBOCLSA-N -1 0 317.367 -0.366 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000827534382 601790017 /nfs/dbraw/zinc/79/00/17/601790017.db2.gz WJYDNASEYSAVQE-HTQZYQBOSA-N -1 0 301.386 -0.598 20 0 DBADRM COCCN1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C[C@H]1C ZINC000831745917 601792587 /nfs/dbraw/zinc/79/25/87/601792587.db2.gz SLLMJDNYBGJQCQ-WDEREUQCSA-N -1 0 308.400 -0.311 20 0 DBADRM C[C@H](CNS(=O)(=O)C[C@@H](C)C(=O)[O-])CN1CCOCC1 ZINC000827503467 601793399 /nfs/dbraw/zinc/79/33/99/601793399.db2.gz XINQUJQOIYNFDV-GHMZBOCLSA-N -1 0 308.400 -0.405 20 0 DBADRM C[C@@H](CNS(=O)(=O)C[C@H](C)C(=O)[O-])CN1CCOCC1 ZINC000827503474 601793568 /nfs/dbraw/zinc/79/35/68/601793568.db2.gz XINQUJQOIYNFDV-QWRGUYRKSA-N -1 0 308.400 -0.405 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC[C@H](CN2CCOCC2)C1)C(=O)[O-] ZINC000827542947 601795084 /nfs/dbraw/zinc/79/50/84/601795084.db2.gz WXZKBOMPRIKRHT-NWDGAFQWSA-N -1 0 320.411 -0.309 20 0 DBADRM C[C@H]1CN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)C[C@@H]1C(=O)[O-] ZINC000828387999 601795537 /nfs/dbraw/zinc/79/55/37/601795537.db2.gz VDMGXWFCBKCSLT-IUCAKERBSA-N -1 0 324.341 -0.449 20 0 DBADRM C[C@H](CS(=O)(=O)NCc1ccc(C(N)=O)nc1)C(=O)[O-] ZINC000827563434 601800749 /nfs/dbraw/zinc/80/07/49/601800749.db2.gz MWVYTJYMYWZWER-SSDOTTSWSA-N -1 0 301.324 -0.679 20 0 DBADRM CC[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000828989014 601800917 /nfs/dbraw/zinc/80/09/17/601800917.db2.gz MYMHELCGIZKFQK-NXEZZACHSA-N -1 0 322.383 -0.736 20 0 DBADRM CC[C@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000828989015 601801027 /nfs/dbraw/zinc/80/10/27/601801027.db2.gz MYMHELCGIZKFQK-UWVGGRQHSA-N -1 0 322.383 -0.736 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000830742533 601802713 /nfs/dbraw/zinc/80/27/13/601802713.db2.gz FEUHMINOXJJZSO-MNOVXSKESA-N -1 0 322.383 -0.483 20 0 DBADRM C[C@H]1CN(Cn2cc(S(=O)(=O)N(C)C)cn2)C[C@H]1C(=O)[O-] ZINC000828463884 601818725 /nfs/dbraw/zinc/81/87/25/601818725.db2.gz SAJYOZIJERKGLO-GXSJLCMTSA-N -1 0 316.383 -0.257 20 0 DBADRM CCc1[nH]c(C(=O)NCCC(=O)NC(N)=O)c(C)c1C(=O)[O-] ZINC000830195800 601846150 /nfs/dbraw/zinc/84/61/50/601846150.db2.gz BMSRWYBTUNELMV-UHFFFAOYSA-N -1 0 310.310 -0.101 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)NCCCC(=O)[O-])CCN2C1=O ZINC000818202737 601848313 /nfs/dbraw/zinc/84/83/13/601848313.db2.gz QSKHVIMYUSXBFH-VIFPVBQESA-N -1 0 312.326 -0.471 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@@](C)(CC)C(=O)[O-] ZINC000830017615 601854787 /nfs/dbraw/zinc/85/47/87/601854787.db2.gz SDOBWAQUKHKTQU-NSHDSACASA-N -1 0 310.372 -0.688 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000739806319 601859466 /nfs/dbraw/zinc/85/94/66/601859466.db2.gz RDEJFBUODWRBES-SECBINFHSA-N -1 0 317.367 -0.644 20 0 DBADRM CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1=O ZINC000830923888 601860280 /nfs/dbraw/zinc/86/02/80/601860280.db2.gz WASLCYGALSDZKS-SNVBAGLBSA-N -1 0 323.280 -0.191 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)C(=O)Nc2cnn(C)c2)CC1 ZINC000827354009 601862277 /nfs/dbraw/zinc/86/22/77/601862277.db2.gz ALOIBCKYYSLEAN-SNVBAGLBSA-N -1 0 323.353 -0.634 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000827398160 601863906 /nfs/dbraw/zinc/86/39/06/601863906.db2.gz SPIJAWFEVZCFSO-LURJTMIESA-N -1 0 311.269 -0.158 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCCN1C(=O)CSC1=O ZINC000740441260 601874479 /nfs/dbraw/zinc/87/44/79/601874479.db2.gz XUATWWHNEIMDHA-ZCFIWIBFSA-N -1 0 319.364 -0.149 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCc2ccn3ccnc3c2)nn1 ZINC000833121360 601878938 /nfs/dbraw/zinc/87/89/38/601878938.db2.gz SOHODZHFYIFMPA-UHFFFAOYSA-N -1 0 300.278 -0.060 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NCCCN(CC)S(C)(=O)=O ZINC000739531434 601881835 /nfs/dbraw/zinc/88/18/35/601881835.db2.gz QNINTFPBWVXOCM-VIFPVBQESA-N -1 0 309.388 -0.180 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000739588664 601899053 /nfs/dbraw/zinc/89/90/53/601899053.db2.gz YVMJUDBHQQXQTG-QMMMGPOBSA-N -1 0 310.310 -0.300 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000739521981 601913019 /nfs/dbraw/zinc/91/30/19/601913019.db2.gz YOCIDRWFQZHDPZ-JTQLQIEISA-N -1 0 321.399 -0.085 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)NC(C)C ZINC000739317964 601929228 /nfs/dbraw/zinc/92/92/28/601929228.db2.gz SMEWPJHCVFBBRX-SECBINFHSA-N -1 0 309.388 -0.133 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)[C@H](NC(=O)[O-])c2ccccc2)CCO1 ZINC000740329944 601939095 /nfs/dbraw/zinc/93/90/95/601939095.db2.gz ZKYINFQXGBLZRT-GHMZBOCLSA-N -1 0 307.306 -0.292 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(CC(=O)NCC(=O)N2CCCC2)C1 ZINC000740640963 601945679 /nfs/dbraw/zinc/94/56/79/601945679.db2.gz GLSLHZUSCUCIRH-NSHDSACASA-N -1 0 312.370 -0.686 20 0 DBADRM Cn1c2[nH]c(CN3CC[C@@](C)(C(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000833038332 601951930 /nfs/dbraw/zinc/95/19/30/601951930.db2.gz VQPSZJQCPJWTLH-CQSZACIVSA-N -1 0 321.337 -0.743 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CC[C@H](CNC(=O)[O-])C1 ZINC000739368047 601952960 /nfs/dbraw/zinc/95/29/60/601952960.db2.gz SBQWTUXVUUVRBS-LLVKDONJSA-N -1 0 314.386 -0.440 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)O1 ZINC000833082878 601961394 /nfs/dbraw/zinc/96/13/94/601961394.db2.gz SAZRPLZYFBOOEM-BQBZGAKWSA-N -1 0 318.307 -0.711 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)O1 ZINC000833082895 601961464 /nfs/dbraw/zinc/96/14/64/601961464.db2.gz SFKUQJFMLRXKQR-IUCAKERBSA-N -1 0 320.367 -0.806 20 0 DBADRM C[C@@H](NC(=O)CN1CCC[C@H](N(C)C(=O)[O-])C1)C(=O)N(C)C ZINC000738960988 601967072 /nfs/dbraw/zinc/96/70/72/601967072.db2.gz KAEJXOBUCNQCCX-MNOVXSKESA-N -1 0 314.386 -0.347 20 0 DBADRM NS(=O)(=O)c1ccccc1OCC(=O)NCCC(=O)[O-] ZINC000833089959 601981959 /nfs/dbraw/zinc/98/19/59/601981959.db2.gz ISWFWVFUPXQIJZ-UHFFFAOYSA-N -1 0 302.308 -0.696 20 0 DBADRM CC(C)CS(=O)(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738836656 601982838 /nfs/dbraw/zinc/98/28/38/601982838.db2.gz ZLBHBOITUFXUCI-UHFFFAOYSA-N -1 0 307.372 -0.616 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)NCCN(C(=O)[O-])C1CC1 ZINC000739991205 601986651 /nfs/dbraw/zinc/98/66/51/601986651.db2.gz LGGJMLCHZBPPCK-JTQLQIEISA-N -1 0 319.383 -0.331 20 0 DBADRM O=C([O-])N1CCC[C@H](CNS(=O)(=O)N2CCOCC2)C1 ZINC000740513480 601990468 /nfs/dbraw/zinc/99/04/68/601990468.db2.gz VBAKIYDLZWXPLX-SNVBAGLBSA-N -1 0 307.372 -0.457 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCCCC[C@@H]1C(N)=O ZINC000830742639 601990944 /nfs/dbraw/zinc/99/09/44/601990944.db2.gz KFIDALRUBIQIBH-UWVGGRQHSA-N -1 0 321.399 -0.339 20 0 DBADRM C[C@@H](NS(=O)(=O)N1CCOCC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739038262 601993177 /nfs/dbraw/zinc/99/31/77/601993177.db2.gz JZDHMZTWUHYWBN-GHMZBOCLSA-N -1 0 321.399 -0.069 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2ccc(NC(=O)[O-])nc2)c1=O ZINC000740275560 601995771 /nfs/dbraw/zinc/99/57/71/601995771.db2.gz QLJCVMPRJYEAOF-UHFFFAOYSA-N -1 0 319.277 -0.329 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CC[C@H](CNC(=O)[O-])C2)C[C@H](C)O1 ZINC000739196269 601996782 /nfs/dbraw/zinc/99/67/82/601996782.db2.gz VKSOVOSVPMCESU-OUAUKWLOSA-N -1 0 321.399 -0.070 20 0 DBADRM COC(=O)[C@H]1C[C@@H]1C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739769665 602000836 /nfs/dbraw/zinc/00/08/36/602000836.db2.gz BWWRNGUIJVABCH-QWRGUYRKSA-N -1 0 313.354 -0.403 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000062913594 602013633 /nfs/dbraw/zinc/01/36/33/602013633.db2.gz GHNQEWPAROWQDS-CYBMUJFWSA-N -1 0 318.395 -0.019 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000833206465 602021023 /nfs/dbraw/zinc/02/10/23/602021023.db2.gz UWQLMGHHQIBCIS-KWQFWETISA-N -1 0 306.322 -0.369 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000833206464 602021425 /nfs/dbraw/zinc/02/14/25/602021425.db2.gz UWQLMGHHQIBCIS-KCJUWKMLSA-N -1 0 306.322 -0.369 20 0 DBADRM Cn1cc(NC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1C(=O)[O-] ZINC000833049111 602023662 /nfs/dbraw/zinc/02/36/62/602023662.db2.gz BBJBLDZNYYWBPW-WPRPVWTQSA-N -1 0 310.310 -0.122 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)Cc2ccccc2O)CC1 ZINC000740384684 602026754 /nfs/dbraw/zinc/02/67/54/602026754.db2.gz QDBUUKSASUWTBB-UHFFFAOYSA-N -1 0 321.333 -0.127 20 0 DBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)NCCO)c1OC ZINC000831888177 602028394 /nfs/dbraw/zinc/02/83/94/602028394.db2.gz UKIXBOJKVWEPMA-UHFFFAOYSA-N -1 0 312.278 -0.551 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739039904 602033263 /nfs/dbraw/zinc/03/32/63/602033263.db2.gz OBFZXJYACMCAFE-GUBZILKMSA-N -1 0 321.399 -0.181 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000830017270 602039233 /nfs/dbraw/zinc/03/92/33/602039233.db2.gz JXRHSKKCJNKUOJ-LBPRGKRZSA-N -1 0 322.383 -0.688 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cn1 ZINC000831799963 602047783 /nfs/dbraw/zinc/04/77/83/602047783.db2.gz CGDVLERWYYSANS-CQSZACIVSA-N -1 0 324.337 -0.209 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000833083617 602049181 /nfs/dbraw/zinc/04/91/81/602049181.db2.gz FZINBWZXZDAQBY-UHFFFAOYSA-N -1 0 309.278 -0.535 20 0 DBADRM O=C([O-])N1CCC[C@@H](CNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000740413196 602053489 /nfs/dbraw/zinc/05/34/89/602053489.db2.gz HGDCWKHTDYOGNI-UWVGGRQHSA-N -1 0 319.383 -0.137 20 0 DBADRM O=C([O-])N1CCC[C@@H](CNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000740413197 602053683 /nfs/dbraw/zinc/05/36/83/602053683.db2.gz HGDCWKHTDYOGNI-VHSXEESVSA-N -1 0 319.383 -0.137 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000739583393 602053935 /nfs/dbraw/zinc/05/39/35/602053935.db2.gz ONDVLCORIGGOQJ-VHSXEESVSA-N -1 0 319.383 -0.043 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000390359894 602059827 /nfs/dbraw/zinc/05/98/27/602059827.db2.gz QUBJLNGMFSWRAT-LLVKDONJSA-N -1 0 307.372 -0.568 20 0 DBADRM NC(=O)c1cc(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)on1 ZINC000833084436 602063951 /nfs/dbraw/zinc/06/39/51/602063951.db2.gz GXSRJEMAFVVXGO-UHFFFAOYSA-N -1 0 315.263 -0.457 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CSCN1C(C)=O ZINC000829948542 602072953 /nfs/dbraw/zinc/07/29/53/602072953.db2.gz UTIXCLWHBQZWEF-VHSXEESVSA-N -1 0 304.368 -0.144 20 0 DBADRM O=C([O-])N(CCNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000740436732 602074447 /nfs/dbraw/zinc/07/44/47/602074447.db2.gz JBTOBFLPNFQGHT-QMMMGPOBSA-N -1 0 305.356 -0.385 20 0 DBADRM COCCNC(=O)CN1CCN(C(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000831743676 602079270 /nfs/dbraw/zinc/07/92/70/602079270.db2.gz BQXWRSKKVNZSFB-LLVKDONJSA-N -1 0 315.370 -0.996 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000827263048 602081123 /nfs/dbraw/zinc/08/11/23/602081123.db2.gz NPPJQVZLVLDGJO-MNOVXSKESA-N -1 0 311.382 -0.092 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000827316971 602081808 /nfs/dbraw/zinc/08/18/08/602081808.db2.gz HCRDCZFKRLRBKE-ZETCQYMHSA-N -1 0 320.305 -0.319 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739742314 602090509 /nfs/dbraw/zinc/09/05/09/602090509.db2.gz YQJVVAXXLLMQNS-UHFFFAOYSA-N -1 0 323.309 -0.248 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000827257990 602094247 /nfs/dbraw/zinc/09/42/47/602094247.db2.gz VTFNPPQEVJIDPC-UWVGGRQHSA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000827256172 602099838 /nfs/dbraw/zinc/09/98/38/602099838.db2.gz IHLTWXXCTGYHSE-BDAKNGLRSA-N -1 0 307.372 -0.871 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)[C@@H]2CCNC(=O)C2)cc1 ZINC000833252115 602103822 /nfs/dbraw/zinc/10/38/22/602103822.db2.gz MEBPEYQOGJGBHD-SNVBAGLBSA-N -1 0 319.317 -0.034 20 0 DBADRM C[C@]1(c2ccc(CNC(=O)CNC(=O)[O-])cc2)NC(=O)NC1=O ZINC000736738810 602118052 /nfs/dbraw/zinc/11/80/52/602118052.db2.gz QHCQLVLWGSDODC-CQSZACIVSA-N -1 0 320.305 -0.375 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)NCCNS(=O)(=O)CC ZINC000739289532 602123031 /nfs/dbraw/zinc/12/30/31/602123031.db2.gz VWJDYLQSCAJTIX-NSHDSACASA-N -1 0 309.388 -0.132 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NC[C@@H]2COCCO2)c1 ZINC000738620615 602123302 /nfs/dbraw/zinc/12/33/02/602123302.db2.gz WCFWXBMRANNTAV-GFCCVEGCSA-N -1 0 322.317 -0.216 20 0 DBADRM CC(=O)c1cn(CC(=O)c2cc(C(=O)[O-])co2)c(=O)n(C)c1=O ZINC000825964912 602124035 /nfs/dbraw/zinc/12/40/35/602124035.db2.gz XTJSHTVMLOISQA-UHFFFAOYSA-N -1 0 320.257 -0.076 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N2CCCNC(=O)C2)c1 ZINC000738620670 602125667 /nfs/dbraw/zinc/12/56/67/602125667.db2.gz YIWZLLPMQLRULE-UHFFFAOYSA-N -1 0 319.317 -0.399 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)COC)CC1 ZINC000739229952 602127930 /nfs/dbraw/zinc/12/79/30/602127930.db2.gz IVUUXNYSMHRQMY-CMPLNLGQSA-N -1 0 315.370 -0.014 20 0 DBADRM COC(=O)Cc1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1 ZINC000818506396 602130306 /nfs/dbraw/zinc/13/03/06/602130306.db2.gz JRNGVBUPXAMMFK-UHFFFAOYSA-N -1 0 308.290 -0.069 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)[C@H]1CCCOC1 ZINC000739620143 602133465 /nfs/dbraw/zinc/13/34/65/602133465.db2.gz PJKUAYVRZYKLEK-NSHDSACASA-N -1 0 313.354 -0.306 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000830734357 602133948 /nfs/dbraw/zinc/13/39/48/602133948.db2.gz DVFZFUMWNSDWTF-VHSXEESVSA-N -1 0 319.383 -0.619 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000739238815 602143669 /nfs/dbraw/zinc/14/36/69/602143669.db2.gz NHRCVKILRWEMSM-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000825839276 602152725 /nfs/dbraw/zinc/15/27/25/602152725.db2.gz CLVRYDHTRVIBGX-JTQLQIEISA-N -1 0 313.354 -0.706 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)NCC2CCN(C(=O)[O-])CC2)CCO1 ZINC000740328108 602160249 /nfs/dbraw/zinc/16/02/49/602160249.db2.gz PGDPIYHXIVDWDG-JTQLQIEISA-N -1 0 314.342 -0.728 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000740326192 602165972 /nfs/dbraw/zinc/16/59/72/602165972.db2.gz CLRMYZCYWVCJLD-UWVGGRQHSA-N -1 0 314.342 -0.728 20 0 DBADRM CCNC(=O)N1CC[C@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC000829794683 602169028 /nfs/dbraw/zinc/16/90/28/602169028.db2.gz KJYSRGSBFJWZFQ-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM CN1CCO[C@H]2CN(S(=O)(=O)CC3(CC(=O)[O-])CC3)C[C@@H]21 ZINC000830964685 602174715 /nfs/dbraw/zinc/17/47/15/602174715.db2.gz LZAMJWLDSXPQSI-QWRGUYRKSA-N -1 0 318.395 -0.414 20 0 DBADRM CN1CCO[C@H]2CN(S(=O)(=O)CC3(CC(=O)[O-])CC3)C[C@H]21 ZINC000830964683 602174890 /nfs/dbraw/zinc/17/48/90/602174890.db2.gz LZAMJWLDSXPQSI-MNOVXSKESA-N -1 0 318.395 -0.414 20 0 DBADRM CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])o3)C[C@H]21 ZINC000830964880 602174967 /nfs/dbraw/zinc/17/49/67/602174967.db2.gz NCQIZKIOGDALJT-SCZZXKLOSA-N -1 0 316.335 -0.319 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000827248204 602177568 /nfs/dbraw/zinc/17/75/68/602177568.db2.gz VQUCKOKRQZKYSY-XLKFXECMSA-N -1 0 311.338 -0.066 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000827264132 602178626 /nfs/dbraw/zinc/17/86/26/602178626.db2.gz WOKPTAHCKZGAQS-SNVBAGLBSA-N -1 0 308.338 -0.460 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000827292086 602183734 /nfs/dbraw/zinc/18/37/34/602183734.db2.gz OXGDOLRTUIQSAD-TVLCNXBWSA-N -1 0 311.338 -0.066 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2cc(C(=O)[O-])cs2)c1=O ZINC000833038440 602185175 /nfs/dbraw/zinc/18/51/75/602185175.db2.gz ZQWZJZPOBHTJIJ-UHFFFAOYSA-N -1 0 309.303 -0.055 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cc1csc2nccn12 ZINC000833206113 602186127 /nfs/dbraw/zinc/18/61/27/602186127.db2.gz OHSJDDHDDXJDON-VIFPVBQESA-N -1 0 322.346 -0.260 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)NC1CCN(CC(N)=O)CC1 ZINC000739288826 602186403 /nfs/dbraw/zinc/18/64/03/602186403.db2.gz JWDVCSVRWCWYDK-AWEZNQCLSA-N -1 0 314.386 -0.121 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000736477435 602187711 /nfs/dbraw/zinc/18/77/11/602187711.db2.gz LYTOKZONHNPHKH-UHFFFAOYSA-N -1 0 300.359 -0.687 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)NCCN(C(=O)[O-])C1CC1 ZINC000740368404 602189367 /nfs/dbraw/zinc/18/93/67/602189367.db2.gz UTQGGMSBMPTEBE-UHFFFAOYSA-N -1 0 310.310 -0.815 20 0 DBADRM CN(CC(=O)NCC1(NS(C)(=O)=O)CCCCC1)C(=O)[O-] ZINC000739622539 602192395 /nfs/dbraw/zinc/19/23/95/602192395.db2.gz ATDHGJFLVIDUDP-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM CN1CCO[C@@H]2CN(C(=O)NCCSCC(=O)[O-])C[C@@H]21 ZINC000830964385 602196773 /nfs/dbraw/zinc/19/67/73/602196773.db2.gz JVRGNESYVHRRBA-VHSXEESVSA-N -1 0 303.384 -0.471 20 0 DBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCCn1ncnn1 ZINC000380135102 602203380 /nfs/dbraw/zinc/20/33/80/602203380.db2.gz FFJPDTMTPUGBRG-UHFFFAOYSA-N -1 0 311.323 -0.342 20 0 DBADRM NC(=O)NC(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833084208 602210515 /nfs/dbraw/zinc/21/05/15/602210515.db2.gz XKBYFKDZFWIOPT-UHFFFAOYSA-N -1 0 321.336 -0.690 20 0 DBADRM O=C([O-])c1csc(S(=O)(=O)NCCn2ncnn2)c1 ZINC000380048367 602210887 /nfs/dbraw/zinc/21/08/87/602210887.db2.gz LEEQNMNRIDVQEB-UHFFFAOYSA-N -1 0 303.325 -0.589 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCn2ncnn2)cc1C(=O)[O-] ZINC000380165066 602211024 /nfs/dbraw/zinc/21/10/24/602211024.db2.gz LQFCKDXABPKNTF-UHFFFAOYSA-N -1 0 311.323 -0.342 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCCS2(=O)=O)c[nH]1 ZINC000133930363 602221278 /nfs/dbraw/zinc/22/12/78/602221278.db2.gz PNJVTMDAWFHMKF-SSDOTTSWSA-N -1 0 322.364 -0.432 20 0 DBADRM CCS(=O)(=O)CCNC(=O)NCCN(C(=O)[O-])C1CC1 ZINC000739513799 602224122 /nfs/dbraw/zinc/22/41/22/602224122.db2.gz DEZHTOKGBVGAFL-UHFFFAOYSA-N -1 0 307.372 -0.137 20 0 DBADRM Cn1cc(/C=C/C(=O)OCCCNC(=O)[O-])c(=O)n(C)c1=O ZINC000740288889 602227102 /nfs/dbraw/zinc/22/71/02/602227102.db2.gz ZGKWYQWOZRQHJT-SNAWJCMRSA-N -1 0 311.294 -0.702 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCOCC1 ZINC000827022000 602231342 /nfs/dbraw/zinc/23/13/42/602231342.db2.gz OZXLSBBNEBRHSS-JTQLQIEISA-N -1 0 310.372 -0.627 20 0 DBADRM C[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C(=O)[O-] ZINC000818046414 602246879 /nfs/dbraw/zinc/24/68/79/602246879.db2.gz YJKWKXBIOXXILK-SSDOTTSWSA-N -1 0 314.319 -0.852 20 0 DBADRM C[C@@H](C(=O)NCCNC(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC000738626041 602247675 /nfs/dbraw/zinc/24/76/75/602247675.db2.gz APRUDXQGCRAEPB-QMMMGPOBSA-N -1 0 312.326 -0.377 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000738653298 602257122 /nfs/dbraw/zinc/25/71/22/602257122.db2.gz YPDKKSFHQSQNTR-UHFFFAOYSA-N -1 0 318.293 -0.410 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)[C@@H]1CCNC(=O)C1)C(=O)[O-] ZINC000826792599 602261011 /nfs/dbraw/zinc/26/10/11/602261011.db2.gz CHAYQXSIJMHDRF-NXEZZACHSA-N -1 0 314.338 -0.329 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)O[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000827324325 602275203 /nfs/dbraw/zinc/27/52/03/602275203.db2.gz CVVDKGOBZPZEPY-OPRDCNLKSA-N -1 0 314.338 -0.247 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NCCCN1CCOC1=O ZINC000740426320 602278649 /nfs/dbraw/zinc/27/86/49/602278649.db2.gz DQXJRAYBJHSBNK-QMMMGPOBSA-N -1 0 303.340 -0.002 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000825840403 602280344 /nfs/dbraw/zinc/28/03/44/602280344.db2.gz KLNSSHDKJYYDDS-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM COC(=O)[C@H](C)NC(=O)C1(C(=O)N[C@@H](C)C(=O)[O-])CCC1 ZINC000831215483 602297292 /nfs/dbraw/zinc/29/72/92/602297292.db2.gz WJXVOBJCBKQHPL-YUMQZZPRSA-N -1 0 300.311 -0.576 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000833178184 602297913 /nfs/dbraw/zinc/29/79/13/602297913.db2.gz CLRALZGYELAORT-JHJVBQTASA-N -1 0 312.366 -0.343 20 0 DBADRM CN(CCNC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC000739692633 602297961 /nfs/dbraw/zinc/29/79/61/602297961.db2.gz RSMRKRBLIZSYLL-UHFFFAOYSA-N -1 0 312.326 -0.423 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000818213665 602298286 /nfs/dbraw/zinc/29/82/86/602298286.db2.gz OSNXLRZCWQQZQU-VHSXEESVSA-N -1 0 314.342 -0.715 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000738035779 602302255 /nfs/dbraw/zinc/30/22/55/602302255.db2.gz HJNPMHKIJWWKKO-UWVGGRQHSA-N -1 0 300.311 -0.223 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)NCCN(C)C(=O)[O-])cc1 ZINC000739747239 602302800 /nfs/dbraw/zinc/30/28/00/602302800.db2.gz QFTFWSUJUVNNEQ-UHFFFAOYSA-N -1 0 315.351 -0.066 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC(C)(C)CNC(=O)[O-])o1 ZINC000739752293 602306454 /nfs/dbraw/zinc/30/64/54/602306454.db2.gz JKQSHTHRUSTHNU-UHFFFAOYSA-N -1 0 319.339 -0.036 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)Cn1nc2ccccn2c1=O ZINC000738748899 602306659 /nfs/dbraw/zinc/30/66/59/602306659.db2.gz HAIUPRQMRWZPEL-UHFFFAOYSA-N -1 0 307.310 -0.342 20 0 DBADRM Cn1cccc1C(=O)N1CCN(C(=O)NCCNC(=O)[O-])CC1 ZINC000740292788 602320407 /nfs/dbraw/zinc/32/04/07/602320407.db2.gz CLKFAZNAPTXXGO-UHFFFAOYSA-N -1 0 323.353 -0.240 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)NCCNC(=O)[O-])s1 ZINC000740341821 602320523 /nfs/dbraw/zinc/32/05/23/602320523.db2.gz DMZMZJCFLBCCTJ-UHFFFAOYSA-N -1 0 322.368 -0.538 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCCNC(=O)[O-] ZINC000739993660 602320841 /nfs/dbraw/zinc/32/08/41/602320841.db2.gz FNEOKBVYKKEWSO-VIFPVBQESA-N -1 0 322.387 -0.633 20 0 DBADRM CNS(=O)(=O)c1ccc(CNC(=O)CN(C)C(=O)[O-])s1 ZINC000739752250 602323897 /nfs/dbraw/zinc/32/38/97/602323897.db2.gz IOZGAMQCIIGGCZ-UHFFFAOYSA-N -1 0 321.380 -0.118 20 0 DBADRM CN(CCc1ccccn1)C(=O)CNC(=O)CN(C)C(=O)[O-] ZINC000737394180 602327388 /nfs/dbraw/zinc/32/73/88/602327388.db2.gz UHPDHJCBODOIGI-UHFFFAOYSA-N -1 0 308.338 -0.192 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000827421931 602330415 /nfs/dbraw/zinc/33/04/15/602330415.db2.gz FOHAKYZWCBSXDE-SFYZADRCSA-N -1 0 301.386 -0.550 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N[C@H]2CCCC[C@H]2O)CC1 ZINC000740440614 602332808 /nfs/dbraw/zinc/33/28/08/602332808.db2.gz SONPNHSSMHEPFB-NWDGAFQWSA-N -1 0 314.386 -0.115 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)NC[C@@H](O)C2CC2)CC1 ZINC000740440157 602332823 /nfs/dbraw/zinc/33/28/23/602332823.db2.gz PVENWRYAWVAARQ-LLVKDONJSA-N -1 0 300.359 -0.648 20 0 DBADRM CN(CCNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000739699750 602342026 /nfs/dbraw/zinc/34/20/26/602342026.db2.gz WJTJBUBMDOOWKB-UHFFFAOYSA-N -1 0 321.293 -0.626 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCCN(CC(N)=O)CC1 ZINC000739312266 602342670 /nfs/dbraw/zinc/34/26/70/602342670.db2.gz JHMYFYBNMVVYOF-SNVBAGLBSA-N -1 0 300.359 -0.558 20 0 DBADRM O=C([O-])NCCCNC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000740652788 602346809 /nfs/dbraw/zinc/34/68/09/602346809.db2.gz KYFAUBADGMIAIP-UHFFFAOYSA-N -1 0 304.310 -0.021 20 0 DBADRM CN(C(=O)[C@H]1CSCN1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739593228 602350570 /nfs/dbraw/zinc/35/05/70/602350570.db2.gz GYLJBRGALIEXPX-HTQZYQBOSA-N -1 0 308.381 -0.315 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)NCCCNC(=O)[O-])c1 ZINC000739751405 602351572 /nfs/dbraw/zinc/35/15/72/602351572.db2.gz XACXZVSTTXWSDN-UHFFFAOYSA-N -1 0 315.351 -0.018 20 0 DBADRM O=C([O-])NCCCNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000740653910 602352078 /nfs/dbraw/zinc/35/20/78/602352078.db2.gz YXRYSLINNSWALL-AOOOYVTPSA-N -1 0 311.338 -0.065 20 0 DBADRM O=C([O-])NCCCNC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000740653781 602352241 /nfs/dbraw/zinc/35/22/41/602352241.db2.gz WELOXWAWGUGOSG-UHFFFAOYSA-N -1 0 312.326 -0.375 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000736364523 602370184 /nfs/dbraw/zinc/37/01/84/602370184.db2.gz NTIJCDIXYMVUPE-JTQLQIEISA-N -1 0 321.399 -0.181 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000739310642 602370592 /nfs/dbraw/zinc/37/05/92/602370592.db2.gz HJWVFBOPHURWPD-SNVBAGLBSA-N -1 0 321.399 -0.037 20 0 DBADRM O=C([O-])NC1(C(=O)NCCC(=O)N2CCOCC2)CCCC1 ZINC000740536490 602377196 /nfs/dbraw/zinc/37/71/96/602377196.db2.gz MAVQMEALSMEBPC-UHFFFAOYSA-N -1 0 313.354 -0.068 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)[C@H](CC)NC(=O)[O-])CC1 ZINC000739463955 602390425 /nfs/dbraw/zinc/39/04/25/602390425.db2.gz VGYGVTNNKHYALX-NSHDSACASA-N -1 0 314.386 -0.297 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000738913535 602397300 /nfs/dbraw/zinc/39/73/00/602397300.db2.gz VGOPPOCZLCWSGU-NXEZZACHSA-N -1 0 303.384 -0.124 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC000828557274 602401335 /nfs/dbraw/zinc/40/13/35/602401335.db2.gz JDACJIOZZYMWCV-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM NC(=O)CC1(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCC1 ZINC000833080036 602401475 /nfs/dbraw/zinc/40/14/75/602401475.db2.gz JSSCFBXTXJVVTA-UHFFFAOYSA-N -1 0 316.339 -0.956 20 0 DBADRM NC(=O)CCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000833082429 602402863 /nfs/dbraw/zinc/40/28/63/602402863.db2.gz RLLSVEAJWCSJIZ-UHFFFAOYSA-N -1 0 311.269 -0.156 20 0 DBADRM O=C(CC[C@@H]1NC(=O)NC1=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000740352858 602416951 /nfs/dbraw/zinc/41/69/51/602416951.db2.gz DLOULHVQVWYQLJ-BDAKNGLRSA-N -1 0 312.326 -0.519 20 0 DBADRM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)CNC(=O)[O-] ZINC000736809485 602421725 /nfs/dbraw/zinc/42/17/25/602421725.db2.gz LIMJCSCFBGGMOG-VXGBXAGGSA-N -1 0 314.386 -0.883 20 0 DBADRM O=C([O-])NCCCNC(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000740654040 602422165 /nfs/dbraw/zinc/42/21/65/602422165.db2.gz PZXWBVCZZKCOTL-UHFFFAOYSA-N -1 0 324.341 -0.059 20 0 DBADRM C[C@](CNC(=O)[O-])(NC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000738921185 602427521 /nfs/dbraw/zinc/42/75/21/602427521.db2.gz SGCMCVKTDUWNTQ-PRHODGIISA-N -1 0 304.368 -0.026 20 0 DBADRM C[C@](CNC(=O)[O-])(NC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000738921188 602427593 /nfs/dbraw/zinc/42/75/93/602427593.db2.gz SGCMCVKTDUWNTQ-QPUJVOFHSA-N -1 0 304.368 -0.026 20 0 DBADRM CS(=O)(=O)CCNC(=S)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000739985645 602430657 /nfs/dbraw/zinc/43/06/57/602430657.db2.gz WCKSQYPNSUTRTH-SECBINFHSA-N -1 0 323.440 -0.115 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)c1ccc2nnnn2n1 ZINC000739688197 602434959 /nfs/dbraw/zinc/43/49/59/602434959.db2.gz WLKNGXIANRTZMJ-UHFFFAOYSA-N -1 0 306.330 -0.749 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)[C@@H](O)c2cccnc2)CC1 ZINC000740433365 602436911 /nfs/dbraw/zinc/43/69/11/602436911.db2.gz OUIDEUZTZDZWBI-ZDUSSCGKSA-N -1 0 322.365 -0.083 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)[C@H](O)c2cccnc2)CC1 ZINC000740433364 602437218 /nfs/dbraw/zinc/43/72/18/602437218.db2.gz OUIDEUZTZDZWBI-CYBMUJFWSA-N -1 0 322.365 -0.083 20 0 DBADRM CCN(CCNC(=O)NCCC(=O)N1CCOCC1)C(=O)[O-] ZINC000739430306 602439635 /nfs/dbraw/zinc/43/96/35/602439635.db2.gz GKLOFSKUEUFALL-UHFFFAOYSA-N -1 0 316.358 -0.466 20 0 DBADRM CN(CCNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000739694579 602440727 /nfs/dbraw/zinc/44/07/27/602440727.db2.gz OBBWUVXRZNNOHB-VIFPVBQESA-N -1 0 322.387 -0.681 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)[C@H]2CCCN2C(=O)[O-])CC1 ZINC000740340560 602447851 /nfs/dbraw/zinc/44/78/51/602447851.db2.gz FQEXNAPQHKCEHN-SNVBAGLBSA-N -1 0 319.383 -0.344 20 0 DBADRM C[C@H](CCNC(=O)Cn1cnc2c1ncnc2N)NC(=O)[O-] ZINC000738902561 602458274 /nfs/dbraw/zinc/45/82/74/602458274.db2.gz ZTHATDBNEQCHNN-SSDOTTSWSA-N -1 0 307.314 -0.429 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)NCCN(C(=O)[O-])C1CC1 ZINC000740340275 602458608 /nfs/dbraw/zinc/45/86/08/602458608.db2.gz FBFHWYXEDHCERH-UHFFFAOYSA-N -1 0 319.325 -0.333 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=S)NCCN2CCOCC2)C1 ZINC000740505006 602459072 /nfs/dbraw/zinc/45/90/72/602459072.db2.gz HZZWORWTMXCKKQ-SNVBAGLBSA-N -1 0 302.400 -0.465 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)Cc2cccnc2)CC1 ZINC000740390711 602461136 /nfs/dbraw/zinc/46/11/36/602461136.db2.gz HPDBQWDPIFFXHC-UHFFFAOYSA-N -1 0 306.322 -0.438 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000740370803 602461913 /nfs/dbraw/zinc/46/19/13/602461913.db2.gz ZBYMVKZRCPIRKB-SECBINFHSA-N -1 0 312.326 -0.566 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000738923565 602465028 /nfs/dbraw/zinc/46/50/28/602465028.db2.gz HVDMQLGBWHMQRH-VIFPVBQESA-N -1 0 321.399 -0.228 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCN(CC(N)=O)CC1 ZINC000740013541 602465533 /nfs/dbraw/zinc/46/55/33/602465533.db2.gz QYHPSRUVRZELGL-VIFPVBQESA-N -1 0 318.399 -0.995 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)CCN1CCCS1(=O)=O ZINC000738926661 602465632 /nfs/dbraw/zinc/46/56/32/602465632.db2.gz PWCRPXCHDIFPRV-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000738926646 602466201 /nfs/dbraw/zinc/46/62/01/602466201.db2.gz FIBCWMPNAASPKJ-QMMMGPOBSA-N -1 0 321.341 -0.096 20 0 DBADRM CCN(CCNC(=O)CCSc1nnnn1C)C(=O)[O-] ZINC000739423979 602472228 /nfs/dbraw/zinc/47/22/28/602472228.db2.gz KBDGWPFVWOJTTN-UHFFFAOYSA-N -1 0 302.360 -0.192 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000738986238 602473410 /nfs/dbraw/zinc/47/34/10/602473410.db2.gz LQBYZSXTWFFOSV-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM Cn1c(N[C@H]2CCN(C(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000740284374 602492275 /nfs/dbraw/zinc/49/22/75/602492275.db2.gz ZSEKXJGDZHJGOJ-LURJTMIESA-N -1 0 308.298 -0.463 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)[C@@H]1COCCO1 ZINC000739686130 602495688 /nfs/dbraw/zinc/49/56/88/602495688.db2.gz YHEMAUDBZBCKQB-NSHDSACASA-N -1 0 301.343 -0.844 20 0 DBADRM CC(C)N(CCC(=O)N1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000738839350 602496051 /nfs/dbraw/zinc/49/60/51/602496051.db2.gz IEXLFLBJTIMAFF-UHFFFAOYSA-N -1 0 322.387 -0.887 20 0 DBADRM CCCC(=O)NCC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739284745 602497348 /nfs/dbraw/zinc/49/73/48/602497348.db2.gz XFDFLDCJPHFPPZ-UHFFFAOYSA-N -1 0 314.386 -0.343 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000739526216 602500899 /nfs/dbraw/zinc/50/08/99/602500899.db2.gz UWDXFVINGSBJSQ-IUCAKERBSA-N -1 0 307.372 -0.440 20 0 DBADRM C[C@@](CNC(=O)[O-])(NC(=O)CC[C@@H]1NC(=O)NC1=O)C1CC1 ZINC000738926680 602505861 /nfs/dbraw/zinc/50/58/61/602505861.db2.gz QZQIGCQHRUOPRL-SDBXPKJASA-N -1 0 312.326 -0.473 20 0 DBADRM CCC(CC)(CNC(=O)[O-])NC(=O)CN1CCCS1(=O)=O ZINC000739250121 602520750 /nfs/dbraw/zinc/52/07/50/602520750.db2.gz RCTWEHOUOQSRNG-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000738927558 602524264 /nfs/dbraw/zinc/52/42/64/602524264.db2.gz GRJSMBHFTSENGU-SSDOTTSWSA-N -1 0 323.313 -0.098 20 0 DBADRM C[C@H](NC(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1)C(=O)N(C)C ZINC000738962509 602528536 /nfs/dbraw/zinc/52/85/36/602528536.db2.gz RUJYYBBUIPHNEN-WDEREUQCSA-N -1 0 314.386 -0.489 20 0 DBADRM C[C@H](NC(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1)C(=O)N(C)C ZINC000738962507 602528667 /nfs/dbraw/zinc/52/86/67/602528667.db2.gz RUJYYBBUIPHNEN-QWRGUYRKSA-N -1 0 314.386 -0.489 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)CCNS(C)(=O)=O ZINC000738807746 602531584 /nfs/dbraw/zinc/53/15/84/602531584.db2.gz SPYMLLJVWUTGQR-SECBINFHSA-N -1 0 309.388 -0.276 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000738856151 602532402 /nfs/dbraw/zinc/53/24/02/602532402.db2.gz UZFOISAVBADIGP-SNVBAGLBSA-N -1 0 300.359 -0.689 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000738704969 602533508 /nfs/dbraw/zinc/53/35/08/602533508.db2.gz PAXQUWCSQSMWCG-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM O=C(CNC(=O)NCc1ccco1)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740377442 602535529 /nfs/dbraw/zinc/53/55/29/602535529.db2.gz JSQDEXFRGHMWCE-VIFPVBQESA-N -1 0 310.310 -0.053 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000740402179 602537639 /nfs/dbraw/zinc/53/76/39/602537639.db2.gz JHWIPGNTBARJDE-MRVPVSSYSA-N -1 0 318.289 -0.302 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000740402180 602537791 /nfs/dbraw/zinc/53/77/91/602537791.db2.gz JHWIPGNTBARJDE-QMMMGPOBSA-N -1 0 318.289 -0.302 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)s1 ZINC000740341335 602537834 /nfs/dbraw/zinc/53/78/34/602537834.db2.gz QHCRUDBDDHYJLM-ZCFIWIBFSA-N -1 0 319.364 -0.122 20 0 DBADRM CC(C)CCS(=O)(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738823334 602547468 /nfs/dbraw/zinc/54/74/68/602547468.db2.gz SBBZHFMVRCMYCM-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737696720 602547982 /nfs/dbraw/zinc/54/79/82/602547982.db2.gz VAYSPRMJHDMQPZ-QMMMGPOBSA-N -1 0 307.372 -0.475 20 0 DBADRM CN(CCN1CCOCC1)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000737989720 602549449 /nfs/dbraw/zinc/54/94/49/602549449.db2.gz BQIXIGWUCKIMLD-UHFFFAOYSA-N -1 0 314.386 -0.927 20 0 DBADRM CC(C)N(C)S(=O)(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738837468 602549654 /nfs/dbraw/zinc/54/96/54/602549654.db2.gz STTKWIJAAZJEKW-UHFFFAOYSA-N -1 0 322.431 -0.201 20 0 DBADRM CCN(CCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000739434238 602552552 /nfs/dbraw/zinc/55/25/52/602552552.db2.gz OBMAOOPFJZTUDB-UWVGGRQHSA-N -1 0 309.388 -0.070 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)CC(=O)N1CCC2(CC1)OCCO2 ZINC000738937834 602554134 /nfs/dbraw/zinc/55/41/34/602554134.db2.gz GKHLMDICMQECDX-LLVKDONJSA-N -1 0 315.370 -0.060 20 0 DBADRM CN1CCO[C@@H](CNC(=O)NC2CCN(C(=O)[O-])CC2)C1 ZINC000737529886 602554337 /nfs/dbraw/zinc/55/43/37/602554337.db2.gz MCTGYEKCSMKWLE-NSHDSACASA-N -1 0 300.359 -0.241 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN(C)[C@H](C)CNC(=O)[O-] ZINC000739809268 602558422 /nfs/dbraw/zinc/55/84/22/602558422.db2.gz XLRNOQXBWOZUDT-DTWKUNHWSA-N -1 0 304.347 -0.565 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)CC(=O)NCC(=O)NC(C)(C)C ZINC000738943186 602559527 /nfs/dbraw/zinc/55/95/27/602559527.db2.gz ZMRUICNFYLYDCB-VIFPVBQESA-N -1 0 302.375 -0.395 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)[O-] ZINC000739814999 602563057 /nfs/dbraw/zinc/56/30/57/602563057.db2.gz WQUAEOJNAJDBAQ-JTQLQIEISA-N -1 0 309.388 -0.069 20 0 DBADRM COCCN(C)S(=O)(=O)N(C)C1CCN(C(=O)[O-])CC1 ZINC000739812266 602563118 /nfs/dbraw/zinc/56/31/18/602563118.db2.gz GROLNXLBPDETJG-UHFFFAOYSA-N -1 0 309.388 -0.116 20 0 DBADRM COCCN(C)S(=O)(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000739812237 602563469 /nfs/dbraw/zinc/56/34/69/602563469.db2.gz GIIXTDOEACUSHS-JTQLQIEISA-N -1 0 309.388 -0.211 20 0 DBADRM CS(=O)(=O)NCCNC(=S)NC[C@@H]1CCCN1C(=O)[O-] ZINC000739997481 602567793 /nfs/dbraw/zinc/56/77/93/602567793.db2.gz WWJKSQKSXUBYDX-QMMMGPOBSA-N -1 0 324.428 -0.858 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)C1=COCCC1 ZINC000739620596 602569661 /nfs/dbraw/zinc/56/96/61/602569661.db2.gz XGFSPCAPMZFWHA-UHFFFAOYSA-N -1 0 311.338 -0.039 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])CCO1 ZINC000740327215 602571851 /nfs/dbraw/zinc/57/18/51/602571851.db2.gz LAUGJOMBDXHPJO-NEPJUHHUSA-N -1 0 321.333 -0.422 20 0 DBADRM CN(CCNC(=O)Cc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000739691335 602573237 /nfs/dbraw/zinc/57/32/37/602573237.db2.gz GIPUIKZGLGHHQM-UHFFFAOYSA-N -1 0 315.351 -0.398 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000738705798 602580193 /nfs/dbraw/zinc/58/01/93/602580193.db2.gz ZTZMVFVFRHBPOC-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739599920 602581415 /nfs/dbraw/zinc/58/14/15/602581415.db2.gz LKLCLRONDULRHF-SNVBAGLBSA-N -1 0 313.358 -0.253 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000740354219 602583231 /nfs/dbraw/zinc/58/32/31/602583231.db2.gz NIPJBOKYYHYZDS-VIFPVBQESA-N -1 0 312.326 -0.423 20 0 DBADRM CN(CCCNC(=O)N[C@H]1CCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000739671173 602586620 /nfs/dbraw/zinc/58/66/20/602586620.db2.gz WDLUTOXWCKDQDM-VIFPVBQESA-N -1 0 322.387 -0.681 20 0 DBADRM COCCN1C[C@H](C(=O)NC[C@H]2CCCN2C(=O)[O-])CC1=O ZINC000739828814 602588516 /nfs/dbraw/zinc/58/85/16/602588516.db2.gz LPVVYVRRFITGQL-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)NC[C@@H]1CCCN1C(=O)[O-] ZINC000740355464 602590804 /nfs/dbraw/zinc/59/08/04/602590804.db2.gz WPDCWVWBELILJD-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM CC(C)N(CCCNC(=O)CN1CC(=O)NC1=O)C(=O)[O-] ZINC000738850889 602591411 /nfs/dbraw/zinc/59/14/11/602591411.db2.gz VNFVSZBIFVIYIY-UHFFFAOYSA-N -1 0 300.315 -0.567 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCCN(C)C(=O)[O-])o1 ZINC000739794010 602592270 /nfs/dbraw/zinc/59/22/70/602592270.db2.gz ZIJWNFZIGPIPIU-UHFFFAOYSA-N -1 0 306.296 -0.046 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000740368319 602607901 /nfs/dbraw/zinc/60/79/01/602607901.db2.gz SYKITSXSHXJQCP-VIFPVBQESA-N -1 0 310.310 -0.815 20 0 DBADRM CC(=O)NCCNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738557098 602610025 /nfs/dbraw/zinc/61/00/25/602610025.db2.gz XWLZUNAKIDVYAS-UHFFFAOYSA-N -1 0 315.374 -0.941 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000740416309 602611363 /nfs/dbraw/zinc/61/13/63/602611363.db2.gz IIKZNAUXMNXCBJ-BDAKNGLRSA-N -1 0 305.356 -0.385 20 0 DBADRM C[C@H](CNC(=O)N[C@@H]1CCN(C(=O)[O-])C1)N1CCOCC1 ZINC000738917116 602616023 /nfs/dbraw/zinc/61/60/23/602616023.db2.gz BUUALRJFMRXGMA-GHMZBOCLSA-N -1 0 300.359 -0.241 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CCO1 ZINC000740329969 602616292 /nfs/dbraw/zinc/61/62/92/602616292.db2.gz ZQVKHNINMBXVPE-RKDXNWHRSA-N -1 0 300.315 -0.976 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CCO1 ZINC000740329968 602616402 /nfs/dbraw/zinc/61/64/02/602616402.db2.gz ZQVKHNINMBXVPE-IUCAKERBSA-N -1 0 300.315 -0.976 20 0 DBADRM CN(C(=O)NC[C@H]1CCCN1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739575401 602617791 /nfs/dbraw/zinc/61/77/91/602617791.db2.gz IFSFUKIIHASQBR-NXEZZACHSA-N -1 0 319.383 -0.043 20 0 DBADRM CN(CCCNC(=O)NC[C@H]1C[N@H+](C)CCN1C)C(=O)[O-] ZINC000739734845 602617984 /nfs/dbraw/zinc/61/79/84/602617984.db2.gz NPSGHDOWTLBNNR-NSHDSACASA-N -1 0 301.391 -0.469 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCN(C(=O)[O-])C1)CC2 ZINC000740231140 602627335 /nfs/dbraw/zinc/62/73/35/602627335.db2.gz GVYHFBZILLWBGQ-NXEZZACHSA-N -1 0 308.342 -0.047 20 0 DBADRM O=C([O-])NCCCNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000740650261 602628340 /nfs/dbraw/zinc/62/83/40/602628340.db2.gz SESMHBXVCFTKKF-LLVKDONJSA-N -1 0 311.342 -0.049 20 0 DBADRM CCN(CCNC(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000739426734 602628805 /nfs/dbraw/zinc/62/88/05/602628805.db2.gz SBSZNYZKAIUERB-UHFFFAOYSA-N -1 0 316.358 -0.514 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000739465847 602631271 /nfs/dbraw/zinc/63/12/71/602631271.db2.gz NRLKHMPYFYZYAP-QMMMGPOBSA-N -1 0 310.376 -0.777 20 0 DBADRM CCN(C(=O)N[C@H]1CCN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000739383550 602633613 /nfs/dbraw/zinc/63/36/13/602633613.db2.gz XCMDUPSIRHFEQX-VHSXEESVSA-N -1 0 319.383 -0.043 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000739748108 602635378 /nfs/dbraw/zinc/63/53/78/602635378.db2.gz HLHODHOMIHXQNE-MRVPVSSYSA-N -1 0 310.314 -0.497 20 0 DBADRM CCN(CCNC(=O)N1CCN(CCOC)CC1)C(=O)[O-] ZINC000739429923 602635893 /nfs/dbraw/zinc/63/58/93/602635893.db2.gz PXOVVRPTQUZBHV-UHFFFAOYSA-N -1 0 302.375 -0.040 20 0 DBADRM CCN(CCNC(=O)Nc1cnn(CC(=O)NC)c1)C(=O)[O-] ZINC000739432603 602636060 /nfs/dbraw/zinc/63/60/60/602636060.db2.gz BQCGEVRUGBCCPW-UHFFFAOYSA-N -1 0 312.330 -0.250 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)NC[C@H]2CN(C)CCO2)C1)C(=O)[O-] ZINC000739740953 602637629 /nfs/dbraw/zinc/63/76/29/602637629.db2.gz BTLXKBXJUOINRU-RYUDHWBXSA-N -1 0 314.386 -0.042 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000739242534 602639641 /nfs/dbraw/zinc/63/96/41/602639641.db2.gz UPZYIDJYRASXGJ-WCBMZHEXSA-N -1 0 314.342 -0.273 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000739242535 602639690 /nfs/dbraw/zinc/63/96/90/602639690.db2.gz UPZYIDJYRASXGJ-WPRPVWTQSA-N -1 0 314.342 -0.273 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)NCC(=O)N1CCN(CC)CC1 ZINC000739315025 602640584 /nfs/dbraw/zinc/64/05/84/602640584.db2.gz PEPUZIXAEANQBS-NSHDSACASA-N -1 0 314.386 -0.297 20 0 DBADRM NS(=O)(=O)c1cccc(NC(=O)COCCNC(=O)[O-])c1 ZINC000740341602 602657572 /nfs/dbraw/zinc/65/75/72/602657572.db2.gz FADCGMAIENUAPN-UHFFFAOYSA-N -1 0 317.323 -0.443 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)OCCN(C)C(=O)[O-] ZINC000737545854 602657817 /nfs/dbraw/zinc/65/78/17/602657817.db2.gz DHDNJHMZOYWBLE-JTQLQIEISA-N -1 0 315.326 -0.734 20 0 DBADRM CC(C)(CNC(=O)COCCNC(=O)[O-])N1CCOCC1 ZINC000738749397 602657919 /nfs/dbraw/zinc/65/79/19/602657919.db2.gz CYSPQAVHOUGOCX-UHFFFAOYSA-N -1 0 303.359 -0.502 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000738762500 602658032 /nfs/dbraw/zinc/65/80/32/602658032.db2.gz HOEIBRXHPODMAT-UHFFFAOYSA-N -1 0 301.343 -0.403 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCN(c2ncccn2)CC1 ZINC000740669080 602658532 /nfs/dbraw/zinc/65/85/32/602658532.db2.gz XDFYGLGXOZNESM-UHFFFAOYSA-N -1 0 309.326 -0.591 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCC(N2CCNC2=O)CC1 ZINC000740664114 602662320 /nfs/dbraw/zinc/66/23/20/602662320.db2.gz WJDFKMDHVFBVGL-UHFFFAOYSA-N -1 0 314.342 -0.713 20 0 DBADRM NC(=O)Cc1csc(NC(=O)COCCNC(=O)[O-])n1 ZINC000740332271 602662375 /nfs/dbraw/zinc/66/23/75/602662375.db2.gz UCSHDOMOTAQAGX-UHFFFAOYSA-N -1 0 302.312 -0.606 20 0 DBADRM CCc1nnc2n1C[C@H](NC(=O)COCCNC(=O)[O-])CC2 ZINC000739560297 602664524 /nfs/dbraw/zinc/66/45/24/602664524.db2.gz RMBBXTMUAUTBPT-SECBINFHSA-N -1 0 311.342 -0.444 20 0 DBADRM CCN(C)C(=O)[C@@H]1CSCN1C(=O)COCCNC(=O)[O-] ZINC000739380563 602664531 /nfs/dbraw/zinc/66/45/31/602664531.db2.gz MCQGFMPSIVVTJB-VIFPVBQESA-N -1 0 319.383 -0.350 20 0 DBADRM NC(=O)CC[C@@H]1CCCN(C(=O)COCCNC(=O)[O-])C1 ZINC000740328291 602665246 /nfs/dbraw/zinc/66/52/46/602665246.db2.gz JYDWALHAYNLICY-JTQLQIEISA-N -1 0 301.343 -0.225 20 0 DBADRM Cc1cnn(C[C@H]2CN(C(=O)NCCNC(=O)[O-])CCO2)c1 ZINC000740201688 602673221 /nfs/dbraw/zinc/67/32/21/602673221.db2.gz WEUWQUJBERBXOT-LLVKDONJSA-N -1 0 311.342 -0.130 20 0 DBADRM O=C([O-])NCCNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000740663927 602673524 /nfs/dbraw/zinc/67/35/24/602673524.db2.gz WZPIUALOMJZFEH-ZCFIWIBFSA-N -1 0 312.248 -0.284 20 0 DBADRM NC(=O)CCNC(=O)c1ccccc1NC(=O)CCNC(=O)[O-] ZINC000738444378 602674156 /nfs/dbraw/zinc/67/41/56/602674156.db2.gz RIXVENBYRROOOZ-UHFFFAOYSA-N -1 0 322.321 -0.112 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000739520998 602675477 /nfs/dbraw/zinc/67/54/77/602675477.db2.gz KNXDVQZQCUWKAP-UWVGGRQHSA-N -1 0 322.383 -0.305 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)O[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000740337223 602679061 /nfs/dbraw/zinc/67/90/61/602679061.db2.gz HXUBNEHTBUAFDQ-SECBINFHSA-N -1 0 321.355 -0.803 20 0 DBADRM Cn1ccnc1CN1CCN(C(=O)NCCNC(=O)[O-])CC1 ZINC000740298554 602680880 /nfs/dbraw/zinc/68/08/80/602680880.db2.gz DEUSAAHCIYCQRZ-UHFFFAOYSA-N -1 0 310.358 -0.485 20 0 DBADRM COCCN1C[C@@H](C(=O)O[C@@H]2CCN(C(=O)[O-])C2)CC1=O ZINC000739829822 602681952 /nfs/dbraw/zinc/68/19/52/602681952.db2.gz QYKZIYWVXDZBLB-VHSXEESVSA-N -1 0 300.311 -0.223 20 0 DBADRM CCOC[C@@H](O)CN1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000737162491 602683224 /nfs/dbraw/zinc/68/32/24/602683224.db2.gz QTFDNSJDLIZOPI-NSHDSACASA-N -1 0 303.359 -0.814 20 0 DBADRM CCOC[C@@H](O)CN1CCN(C(=O)[C@@H](C)NC(=O)[O-])CC1 ZINC000739491599 602683597 /nfs/dbraw/zinc/68/35/97/602683597.db2.gz VLDGGVLTRPLJIR-MNOVXSKESA-N -1 0 303.359 -0.816 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)[C@@H](C)NC(=O)[O-])CC1 ZINC000739491592 602683834 /nfs/dbraw/zinc/68/38/34/602683834.db2.gz VLDGGVLTRPLJIR-GHMZBOCLSA-N -1 0 303.359 -0.816 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CCC(NC(=O)[O-])CC1 ZINC000740342750 602684432 /nfs/dbraw/zinc/68/44/32/602684432.db2.gz VSZOINHOTFLFEF-UHFFFAOYSA-N -1 0 319.325 -0.333 20 0 DBADRM CCN(C1CCN(C(=O)CNC(=O)[O-])CC1)S(C)(=O)=O ZINC000737841867 602687300 /nfs/dbraw/zinc/68/73/00/602687300.db2.gz QFXASNWIRJGTKI-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM CCN(C1CCN(C(=O)[C@@H](C)NC(=O)[O-])CC1)S(C)(=O)=O ZINC000739386177 602687633 /nfs/dbraw/zinc/68/76/33/602687633.db2.gz WVOGUNRHZLULBN-SECBINFHSA-N -1 0 321.399 -0.085 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000738994582 602688192 /nfs/dbraw/zinc/68/81/92/602688192.db2.gz MTSNCQJHOZLBCA-JTQLQIEISA-N -1 0 311.342 -0.190 20 0 DBADRM O=C([O-])N1CC[C@@H](CCNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000740425534 602690748 /nfs/dbraw/zinc/69/07/48/602690748.db2.gz GJHOVTXKYWMBMW-ZJUUUORDSA-N -1 0 319.383 -0.137 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000740283853 602692680 /nfs/dbraw/zinc/69/26/80/602692680.db2.gz QDVXXKXIQNWJPA-LURJTMIESA-N -1 0 317.396 -0.185 20 0 DBADRM CN(Cc1cc[nH]n1)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739703932 602692833 /nfs/dbraw/zinc/69/28/33/602692833.db2.gz HQHPXAKEDNXETB-UHFFFAOYSA-N -1 0 310.358 -0.153 20 0 DBADRM CS(=O)(=O)NCCNC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000739989528 602696496 /nfs/dbraw/zinc/69/64/96/602696496.db2.gz BAAVGXGWEQKBHX-SECBINFHSA-N -1 0 322.387 -0.775 20 0 DBADRM CN(CCNC(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)[O-] ZINC000739688492 602699374 /nfs/dbraw/zinc/69/93/74/602699374.db2.gz MGCMMISGRHBGOO-UHFFFAOYSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])NCc1nc(C(=O)NCCN2CCOCC2)cs1 ZINC000740684558 602706131 /nfs/dbraw/zinc/70/61/31/602706131.db2.gz PEHPSNAJBZBLNW-UHFFFAOYSA-N -1 0 314.367 -0.027 20 0 DBADRM CS(=O)(=O)CCN1CCC(NC(=O)CCNC(=O)[O-])CC1 ZINC000739984921 602729189 /nfs/dbraw/zinc/72/91/89/602729189.db2.gz RFFSSMZZKAGCQE-UHFFFAOYSA-N -1 0 321.399 -0.731 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1CCCCN1C(=O)[O-])NS(C)(=O)=O ZINC000738747234 602729617 /nfs/dbraw/zinc/72/96/17/602729617.db2.gz PANZPPPORNCCSK-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM CC(C)(CNC(=O)C1CCN(C(=O)[O-])CC1)NS(C)(=O)=O ZINC000737588860 602729639 /nfs/dbraw/zinc/72/96/39/602729639.db2.gz HEWQDZXTPUSTPL-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)CCNC(=O)[O-])CC1 ZINC000737944297 602733324 /nfs/dbraw/zinc/73/33/24/602733324.db2.gz HSVZTMPXTPQKAG-UHFFFAOYSA-N -1 0 300.359 -0.687 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)NCCN1CCOCC1 ZINC000739153253 602745380 /nfs/dbraw/zinc/74/53/80/602745380.db2.gz NOQPMTSNUCZBQN-NSHDSACASA-N -1 0 300.359 -0.288 20 0 DBADRM CCN(CC(=O)NCCC(=O)N1CCN(C)CC1)C(=O)[O-] ZINC000739392576 602758046 /nfs/dbraw/zinc/75/80/46/602758046.db2.gz KFTVZSJJNPZEMD-UHFFFAOYSA-N -1 0 300.359 -0.733 20 0 DBADRM CCN(CC(=O)NCC(C)(C)N1CCS(=O)CC1)C(=O)[O-] ZINC000739394750 602758244 /nfs/dbraw/zinc/75/82/44/602758244.db2.gz YFVYRUIYAALALW-UHFFFAOYSA-N -1 0 319.427 -0.055 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)CN1CCC(=O)NC1=O ZINC000740624217 602768029 /nfs/dbraw/zinc/76/80/29/602768029.db2.gz TVBLVEITUVYXDL-DTWKUNHWSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)CN1CCC(=O)NC1=O ZINC000740624215 602768038 /nfs/dbraw/zinc/76/80/38/602768038.db2.gz TVBLVEITUVYXDL-BDAKNGLRSA-N -1 0 312.326 -0.519 20 0 DBADRM CN(C)c1ccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])cn1 ZINC000739688315 602768614 /nfs/dbraw/zinc/76/86/14/602768614.db2.gz ZEHMPHWZEAEJLX-UHFFFAOYSA-N -1 0 309.326 -0.188 20 0 DBADRM CC(C)[C@@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)NC(=O)[O-] ZINC000738775147 602774881 /nfs/dbraw/zinc/77/48/81/602774881.db2.gz DDQUZCQXXAQCPH-JGVFFNPUSA-N -1 0 300.315 -0.617 20 0 DBADRM CCN(C(=O)c1ccc(CNC(=O)[O-])o1)[C@@H]1CC(=O)NC1=O ZINC000826983176 602779769 /nfs/dbraw/zinc/77/97/69/602779769.db2.gz FXKXRFZDBUEPHJ-MRVPVSSYSA-N -1 0 309.278 -0.076 20 0 DBADRM C[C@H](NC(=O)CN1CC[C@H](NC(=O)[O-])[C@@H](C)C1)C(=O)N(C)C ZINC000738961249 602789410 /nfs/dbraw/zinc/78/94/10/602789410.db2.gz LZHQVRRPPWZXKK-DCAQKATOSA-N -1 0 314.386 -0.443 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)CNC(=O)[O-])c1 ZINC000738446140 602810202 /nfs/dbraw/zinc/81/02/02/602810202.db2.gz BYWDRWWWIMSFSF-UHFFFAOYSA-N -1 0 305.287 -0.643 20 0 DBADRM CC(C)[C@H](CNC(=O)NC[C@H]1CN(C)CCO1)NC(=O)[O-] ZINC000738787227 602802812 /nfs/dbraw/zinc/80/28/12/602802812.db2.gz MUJBQFAEOLELBY-QWRGUYRKSA-N -1 0 302.375 -0.092 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H](C)N1C(=O)[O-] ZINC000739134951 602804930 /nfs/dbraw/zinc/80/49/30/602804930.db2.gz NGXJYJUODARBGB-DTORHVGOSA-N -1 0 310.310 -0.452 20 0 DBADRM C[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H](C)N1C(=O)[O-] ZINC000739138126 602808138 /nfs/dbraw/zinc/80/81/38/602808138.db2.gz VXOMUTLNXCCPRH-IUCAKERBSA-N -1 0 312.326 -0.520 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCOCC2)CC[C@H]1NC(=O)[O-] ZINC000739189633 602808947 /nfs/dbraw/zinc/80/89/47/602808947.db2.gz IAKAUJIWGBHDGA-VHSXEESVSA-N -1 0 307.372 -0.459 20 0 DBADRM C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@@H](C)N1C(=O)[O-] ZINC000739125031 602809155 /nfs/dbraw/zinc/80/91/55/602809155.db2.gz LHFNCSXCGZXINY-RKDXNWHRSA-N -1 0 307.372 -0.475 20 0 DBADRM C[C@H](CC(=O)NCCCN1CCCS1(=O)=O)NC(=O)[O-] ZINC000824646768 602811902 /nfs/dbraw/zinc/81/19/02/602811902.db2.gz OJQVMOCWIADOQD-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)n1 ZINC000739747925 602813914 /nfs/dbraw/zinc/81/39/14/602813914.db2.gz FPAHQHLCUUUAPA-BDAKNGLRSA-N -1 0 324.341 -0.211 20 0 DBADRM CCN(CC(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000739400180 602817567 /nfs/dbraw/zinc/81/75/67/602817567.db2.gz RRGNCXJSFKPFAB-QMMMGPOBSA-N -1 0 303.315 -0.878 20 0 DBADRM NC(=O)CN1CCC(NC(=O)[C@@H]2CCCCN2C(=O)[O-])CC1 ZINC000740333633 602821560 /nfs/dbraw/zinc/82/15/60/602821560.db2.gz DUCIAGXFRYGRPA-NSHDSACASA-N -1 0 312.370 -0.415 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCN(c2ncccn2)CC1 ZINC000740349578 602823486 /nfs/dbraw/zinc/82/34/86/602823486.db2.gz NSHFLMSRIMOCNL-NSHDSACASA-N -1 0 321.337 -0.496 20 0 DBADRM C[C@@H]1CN(C(=O)NCCS(C)(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739135746 602826142 /nfs/dbraw/zinc/82/61/42/602826142.db2.gz CUSLTWMFHBZBFN-RKDXNWHRSA-N -1 0 307.372 -0.281 20 0 DBADRM CN(C(=O)[C@@H]1COCCN1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739575629 602828876 /nfs/dbraw/zinc/82/88/76/602828876.db2.gz VZKNKRBYECTNKG-IUCAKERBSA-N -1 0 306.340 -0.989 20 0 DBADRM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)NCCNC(=O)[O-])C1 ZINC000739984783 602830274 /nfs/dbraw/zinc/83/02/74/602830274.db2.gz RZABYESNFNRZQK-BDAKNGLRSA-N -1 0 307.372 -0.091 20 0 DBADRM COCCN(CC(=O)N[C@H]1CC(=O)N(C(C)C)C1)C(=O)[O-] ZINC000739820521 602831320 /nfs/dbraw/zinc/83/13/20/602831320.db2.gz YVXRXJNLUQUAKN-JTQLQIEISA-N -1 0 301.343 -0.262 20 0 DBADRM CC(C)(CCC(=O)N1CC[C@@]2(C1)NC(=O)NC2=O)NC(=O)[O-] ZINC000738739309 602838718 /nfs/dbraw/zinc/83/87/18/602838718.db2.gz OPHAWQWXXGKDES-ZDUSSCGKSA-N -1 0 312.326 -0.377 20 0 DBADRM COCCNC(=O)CNC(=O)c1ccc(NC(=O)[O-])cc1O ZINC000739831280 602843854 /nfs/dbraw/zinc/84/38/54/602843854.db2.gz LQUNHKBWQHVYAP-UHFFFAOYSA-N -1 0 311.294 -0.026 20 0 DBADRM CS(=O)(=O)NCCNC(=O)c1ccc(NC(=O)[O-])cc1O ZINC000739997255 602845158 /nfs/dbraw/zinc/84/51/58/602845158.db2.gz SXMLRGRRYVOEOX-UHFFFAOYSA-N -1 0 317.323 -0.239 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CN(CC2CC2)C(=O)[O-])CCO1 ZINC000828643016 602845659 /nfs/dbraw/zinc/84/56/59/602845659.db2.gz YAKQADUCGVQPLO-SNVBAGLBSA-N -1 0 300.311 -0.223 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC(NC(=O)[O-])CC1 ZINC000738798599 602845750 /nfs/dbraw/zinc/84/57/50/602845750.db2.gz UVSJNMHZVXPXBD-SNVBAGLBSA-N -1 0 321.399 -0.181 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000740664084 602845758 /nfs/dbraw/zinc/84/57/58/602845758.db2.gz UWYUDMFIQANOKN-LLVKDONJSA-N -1 0 311.342 -0.199 20 0 DBADRM O=C(CNC(=O)[C@H]1COCCN1C(=O)[O-])NCc1ccccc1 ZINC000740378547 602845903 /nfs/dbraw/zinc/84/59/03/602845903.db2.gz NYSXMWAOPAOXQX-GFCCVEGCSA-N -1 0 321.333 -0.202 20 0 DBADRM NC(=O)CN1CCCN(C(=O)C[C@H]2CCCN2C(=O)[O-])CC1 ZINC000831189726 602850150 /nfs/dbraw/zinc/85/01/50/602850150.db2.gz DMNSJDHIOGCRSH-LLVKDONJSA-N -1 0 312.370 -0.462 20 0 DBADRM NC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000740333787 602850534 /nfs/dbraw/zinc/85/05/34/602850534.db2.gz WCWFVFBLMGZJPG-ZJUUUORDSA-N -1 0 314.342 -0.728 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCC(=O)N1CCCCC1 ZINC000740415737 602854144 /nfs/dbraw/zinc/85/41/44/602854144.db2.gz IVCICOFJKXRCND-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)CCCNC(=O)[O-])C1 ZINC000737553046 602854659 /nfs/dbraw/zinc/85/46/59/602854659.db2.gz QYMFBHHOBSYZCU-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)CCCNC(=O)[O-])C1 ZINC000737553045 602854711 /nfs/dbraw/zinc/85/47/11/602854711.db2.gz QYMFBHHOBSYZCU-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM CCNC(=O)CN(C)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739454214 602854855 /nfs/dbraw/zinc/85/48/55/602854855.db2.gz AJXYISFXTDVOCF-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM NC(=O)Cc1csc(NC(=O)[C@H]2COCCN2C(=O)[O-])n1 ZINC000740332820 602859106 /nfs/dbraw/zinc/85/91/06/602859106.db2.gz XFXWQIHKYMVQAD-SSDOTTSWSA-N -1 0 314.323 -0.512 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CCCN(C(=O)[O-])CC2)C1=O ZINC000738060843 602859373 /nfs/dbraw/zinc/85/93/73/602859373.db2.gz TYTNPRCLQIIABS-ZDUSSCGKSA-N -1 0 314.342 -0.414 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N[C@H](C)CS(C)(=O)=O ZINC000740012484 602859269 /nfs/dbraw/zinc/85/92/69/602859269.db2.gz FIBLBJNBEZQMDZ-SFYZADRCSA-N -1 0 312.413 -0.075 20 0 DBADRM C[C@H](NC(=O)[C@H]1COCCN1C(=O)[O-])C(=O)NC(C)(C)C ZINC000738960180 602863213 /nfs/dbraw/zinc/86/32/13/602863213.db2.gz UPIQTTPZXZCQLB-DTWKUNHWSA-N -1 0 301.343 -0.215 20 0 DBADRM CCN(CC(=O)OCCN(C)S(=O)(=O)N(C)C)C(=O)[O-] ZINC000739407557 602867486 /nfs/dbraw/zinc/86/74/86/602867486.db2.gz ZHTALBWMEJQFSE-UHFFFAOYSA-N -1 0 311.360 -0.732 20 0 DBADRM CN(CC(=O)Oc1ccc(C(=O)NCC(N)=O)cc1)C(=O)[O-] ZINC000739633385 602867582 /nfs/dbraw/zinc/86/75/82/602867582.db2.gz STTVAFVCQJABFW-UHFFFAOYSA-N -1 0 309.278 -0.583 20 0 DBADRM O=C(CNC(=O)[C@H]1COCCN1C(=O)[O-])NC1CCCCC1 ZINC000740380818 602870599 /nfs/dbraw/zinc/87/05/99/602870599.db2.gz ZROQFAKCPOGSSD-LLVKDONJSA-N -1 0 313.354 -0.070 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000738757713 602872881 /nfs/dbraw/zinc/87/28/81/602872881.db2.gz MDKRTFXRHRNMDZ-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000738674158 602874359 /nfs/dbraw/zinc/87/43/59/602874359.db2.gz OCHYSRYDJXTQQR-VIFPVBQESA-N -1 0 301.343 -0.356 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739732003 602874763 /nfs/dbraw/zinc/87/47/63/602874763.db2.gz SGZFXIHPISBKQT-LLVKDONJSA-N -1 0 312.370 -0.781 20 0 DBADRM C[C@@H]1CN(CCNC(=O)[C@@H]2COCCN2C(=O)[O-])CCO1 ZINC000739182099 602876518 /nfs/dbraw/zinc/87/65/18/602876518.db2.gz MERXGAPADVKWTN-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM CCc1nnc2n1C[C@H](NC(=O)[C@H]1COCCN1C(=O)[O-])CC2 ZINC000739559708 602876641 /nfs/dbraw/zinc/87/66/41/602876641.db2.gz PEQGFTOXRSYLPR-NXEZZACHSA-N -1 0 323.353 -0.350 20 0 DBADRM CC(=O)NC1CCC(NC(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000738536299 602880777 /nfs/dbraw/zinc/88/07/77/602880777.db2.gz CAHQTBFVJOZCHR-HTAVTVPLSA-N -1 0 313.354 -0.071 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000740351881 602881903 /nfs/dbraw/zinc/88/19/03/602881903.db2.gz UANVWOXUAWHFQW-QWRGUYRKSA-N -1 0 314.338 -0.023 20 0 DBADRM COC(=O)[C@H]1CCCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000739775502 602883074 /nfs/dbraw/zinc/88/30/74/602883074.db2.gz XWGXHRMEHDOVDX-UWVGGRQHSA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@@H]1CN(C(=O)NCCNS(C)(=O)=O)C[C@@H](C)N1C(=O)[O-] ZINC000739136328 602887672 /nfs/dbraw/zinc/88/76/72/602887672.db2.gz DNSCOLDOLWIVGD-RKDXNWHRSA-N -1 0 322.387 -0.682 20 0 DBADRM CNC(=O)CN1CCN(C(=O)CCC(C)(C)NC(=O)[O-])CC1 ZINC000739739847 602888940 /nfs/dbraw/zinc/88/89/40/602888940.db2.gz NNXXEKXMOVIFMW-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM Cn1cnnc1CCNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000740296135 602891338 /nfs/dbraw/zinc/89/13/38/602891338.db2.gz WKKXGYUDXCUNGD-SNVBAGLBSA-N -1 0 311.342 -0.367 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000740353622 602891409 /nfs/dbraw/zinc/89/14/09/602891409.db2.gz ZCUJKZHGIDALJL-QWRGUYRKSA-N -1 0 309.326 -0.180 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000740353618 602891488 /nfs/dbraw/zinc/89/14/88/602891488.db2.gz ZCUJKZHGIDALJL-GHMZBOCLSA-N -1 0 309.326 -0.180 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)NC(=O)NC1CC1 ZINC000739045492 602897771 /nfs/dbraw/zinc/89/77/71/602897771.db2.gz WJUKQIBGFGQXED-SFYZADRCSA-N -1 0 313.310 -0.094 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)COC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739718151 602898526 /nfs/dbraw/zinc/89/85/26/602898526.db2.gz SDTSSVSBOAMERJ-NSHDSACASA-N -1 0 324.337 -0.078 20 0 DBADRM CCOCCN1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739486734 602899720 /nfs/dbraw/zinc/89/97/20/602899720.db2.gz HQYXPBCVIPIRFC-GFCCVEGCSA-N -1 0 315.370 -0.454 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000740347955 602901947 /nfs/dbraw/zinc/90/19/47/602901947.db2.gz KLLJNFDTGGZHEU-JTQLQIEISA-N -1 0 321.337 -0.124 20 0 DBADRM NC(=O)N1CC[C@H](NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1 ZINC000740333264 602904094 /nfs/dbraw/zinc/90/40/94/602904094.db2.gz SGEUILZLZNKEKP-VHSXEESVSA-N -1 0 314.342 -0.585 20 0 DBADRM C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H](C)N1C(=O)[O-] ZINC000739116873 602904792 /nfs/dbraw/zinc/90/47/92/602904792.db2.gz AVVCXNDTPWAYRI-DTORHVGOSA-N -1 0 321.399 -0.087 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N2CCn3ccnc3C2)CC1 ZINC000740527423 602909186 /nfs/dbraw/zinc/90/91/86/602909186.db2.gz TYTRIGYMIQPCIL-UHFFFAOYSA-N -1 0 322.369 -0.296 20 0 DBADRM COCCN1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C[C@@H]1C ZINC000739835501 602912937 /nfs/dbraw/zinc/91/29/37/602912937.db2.gz UPKFCSYMRYJZMA-RYUDHWBXSA-N -1 0 315.370 -0.456 20 0 DBADRM COCCN1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C[C@H]1C ZINC000739835499 602913024 /nfs/dbraw/zinc/91/30/24/602913024.db2.gz UPKFCSYMRYJZMA-NEPJUHHUSA-N -1 0 315.370 -0.456 20 0 DBADRM NC(=O)CCn1ccc(NC(=O)[C@H]2COCCN2C(=O)[O-])n1 ZINC000740329391 602913148 /nfs/dbraw/zinc/91/31/48/602913148.db2.gz RSRGDBUSKFMUFF-MRVPVSSYSA-N -1 0 311.298 -0.924 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739074119 602913631 /nfs/dbraw/zinc/91/36/31/602913631.db2.gz HPFNZMLJGCVYPG-KXUCPTDWSA-N -1 0 320.367 -0.601 20 0 DBADRM O=C([O-])NC[C@H]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000740641180 602918389 /nfs/dbraw/zinc/91/83/89/602918389.db2.gz OANVQHIDHSQBMH-ZJUUUORDSA-N -1 0 308.342 -0.108 20 0 DBADRM Cn1c(=O)ccn(CC(=O)OC[C@H]2CCCN2C(=O)[O-])c1=O ZINC000740274834 602921622 /nfs/dbraw/zinc/92/16/22/602921622.db2.gz CSIIMGSXIBYSHL-SECBINFHSA-N -1 0 311.294 -0.767 20 0 DBADRM C[C@H](CC(=O)NCC(C)(C)N1CCS(=O)CC1)NC(=O)[O-] ZINC000824628402 602923484 /nfs/dbraw/zinc/92/34/84/602923484.db2.gz HWHOOYDAGHPWQC-SNVBAGLBSA-N -1 0 319.427 -0.008 20 0 DBADRM C[C@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)CCN1C(=O)[O-] ZINC000739141318 602929368 /nfs/dbraw/zinc/92/93/68/602929368.db2.gz XJPMXTALNSQKLD-VIFPVBQESA-N -1 0 321.399 -0.085 20 0 DBADRM C[C@@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)CCN1C(=O)[O-] ZINC000739141315 602929541 /nfs/dbraw/zinc/92/95/41/602929541.db2.gz XJPMXTALNSQKLD-SECBINFHSA-N -1 0 321.399 -0.085 20 0 DBADRM C[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)CCN1C(=O)[O-] ZINC000739138946 602933126 /nfs/dbraw/zinc/93/31/26/602933126.db2.gz SDTYXAKBGDUZKW-SECBINFHSA-N -1 0 304.310 -0.123 20 0 DBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)c1cn(CC(N)=O)nn1 ZINC000824065555 602935982 /nfs/dbraw/zinc/93/59/82/602935982.db2.gz YKOLZWBYLQWBJK-LBPRGKRZSA-N -1 0 312.330 -0.825 20 0 DBADRM CC[S@](=O)CCNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739521371 602936342 /nfs/dbraw/zinc/93/63/42/602936342.db2.gz WLUOAPVRCLCMPL-NRFANRHFSA-N -1 0 320.415 -0.650 20 0 DBADRM CC[C@@H](CCO)NC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739257324 602936436 /nfs/dbraw/zinc/93/64/36/602936436.db2.gz CUSDHKNFLVQXOC-NSHDSACASA-N -1 0 302.375 -0.258 20 0 DBADRM CC[C@H](CCO)NC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739257323 602936483 /nfs/dbraw/zinc/93/64/83/602936483.db2.gz CUSDHKNFLVQXOC-LLVKDONJSA-N -1 0 302.375 -0.258 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)S1 ZINC000831240022 602940270 /nfs/dbraw/zinc/94/02/70/602940270.db2.gz LLQFXESBRWRUCH-RNFRBKRXSA-N -1 0 300.340 -0.199 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000739993495 602943185 /nfs/dbraw/zinc/94/31/85/602943185.db2.gz ZJMYZAVOBRIQIA-UWVGGRQHSA-N -1 0 319.383 -0.474 20 0 DBADRM CC(C)[C@H](CNC(=O)CC1SC(=N)NC1=O)NC(=O)[O-] ZINC000824111640 602947036 /nfs/dbraw/zinc/94/70/36/602947036.db2.gz UQVTUFPVJYWGFW-BQBZGAKWSA-N -1 0 302.356 -0.049 20 0 DBADRM CCN1CCO[C@H](CNC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000737123243 602947141 /nfs/dbraw/zinc/94/71/41/602947141.db2.gz PPDKHNRNJSGJNC-LLVKDONJSA-N -1 0 300.359 -0.288 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[C@@H]1NC(=O)[O-] ZINC000739126602 602949254 /nfs/dbraw/zinc/94/92/54/602949254.db2.gz XHFFGUDRNUVVQN-BDAKNGLRSA-N -1 0 309.326 -0.137 20 0 DBADRM Cn1cc(-c2nc(C3(NC(=O)[O-])CCC3)no2)c(=O)n(C)c1=O ZINC000740281519 602950074 /nfs/dbraw/zinc/95/00/74/602950074.db2.gz RJXUAAKARWBOIP-UHFFFAOYSA-N -1 0 321.293 -0.219 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H](C)N1C(=O)[O-] ZINC000739170510 602951715 /nfs/dbraw/zinc/95/17/15/602951715.db2.gz UJTLGWFDACRPSB-RKDXNWHRSA-N -1 0 324.337 -0.703 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C[C@H]2CCCN2C(=O)[O-])C1 ZINC000829688065 602954790 /nfs/dbraw/zinc/95/47/90/602954790.db2.gz PCUOHRYWQAOREJ-NXEZZACHSA-N -1 0 319.383 -0.331 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)N1C(=O)[O-] ZINC000739137111 602955677 /nfs/dbraw/zinc/95/56/77/602955677.db2.gz TUXJZSQQEROFCZ-OPRDCNLKSA-N -1 0 319.383 -0.044 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000736607898 602957868 /nfs/dbraw/zinc/95/78/68/602957868.db2.gz ZQRUVOFJXOHRKI-QMMMGPOBSA-N -1 0 307.372 -0.139 20 0 DBADRM O=C([O-])N(CC(=O)N1CCO[C@H](Cn2cncn2)C1)CC1CC1 ZINC000831821706 602961731 /nfs/dbraw/zinc/96/17/31/602961731.db2.gz WTWZCFVBZVZWDF-LBPRGKRZSA-N -1 0 323.353 -0.105 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739515234 602967103 /nfs/dbraw/zinc/96/71/03/602967103.db2.gz KINXNMDARYHHJV-BDAKNGLRSA-N -1 0 307.372 -0.139 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCS(C)(=O)=O ZINC000739199513 602974229 /nfs/dbraw/zinc/97/42/29/602974229.db2.gz HYMIAPFPQBRUSR-HTQZYQBOSA-N -1 0 308.356 -0.349 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)CCO1 ZINC000740327701 602975775 /nfs/dbraw/zinc/97/57/75/602975775.db2.gz OKXCEZBTSMCTLN-ZJUUUORDSA-N -1 0 314.342 -0.585 20 0 DBADRM O=C(COC1CCOCC1)NCCN1CCN(C(=O)[O-])CC1 ZINC000740382866 602982104 /nfs/dbraw/zinc/98/21/04/602982104.db2.gz WOJCZBIEUJRACA-UHFFFAOYSA-N -1 0 315.370 -0.406 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])C[C@H]1C ZINC000739044941 602985438 /nfs/dbraw/zinc/98/54/38/602985438.db2.gz IPUSAMVRTFEPKG-VWYCJHECSA-N -1 0 317.411 -0.047 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C[C@H]1C ZINC000739045565 602986667 /nfs/dbraw/zinc/98/66/67/602986667.db2.gz LIGHMDQPWPCIRT-WOPDTQHZSA-N -1 0 315.370 -0.721 20 0 DBADRM COc1ncccc1CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739982227 602990512 /nfs/dbraw/zinc/99/05/12/602990512.db2.gz DSVBYIJLLAFXMI-UHFFFAOYSA-N -1 0 322.321 -0.471 20 0 DBADRM COc1ncccc1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739986458 602993001 /nfs/dbraw/zinc/99/30/01/602993001.db2.gz ZLNMIXCOLHBQLN-UHFFFAOYSA-N -1 0 308.294 -0.149 20 0 DBADRM COc1ccncc1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739985965 602997981 /nfs/dbraw/zinc/99/79/81/602997981.db2.gz VMGBSCJDRTYQHK-UHFFFAOYSA-N -1 0 308.294 -0.149 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NC1CCSCC1 ZINC000740366351 602999596 /nfs/dbraw/zinc/99/95/96/602999596.db2.gz AQRXBIJIGGVWCQ-UHFFFAOYSA-N -1 0 301.368 -0.180 20 0 DBADRM O=C([O-])N1CCN(CC(=O)Nc2ccnc3ccnn32)C(=O)C1 ZINC000740371477 603001418 /nfs/dbraw/zinc/00/14/18/603001418.db2.gz ZNBRILNVOWIFPB-UHFFFAOYSA-N -1 0 318.293 -0.510 20 0 DBADRM C[C@@H]1CN(C(=O)NCCN2CCOCC2)CCN1C(=O)[O-] ZINC000826002255 603002554 /nfs/dbraw/zinc/00/25/54/603002554.db2.gz PYUBOQPUQYSEQZ-LLVKDONJSA-N -1 0 300.359 -0.288 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000832465631 603003186 /nfs/dbraw/zinc/00/31/86/603003186.db2.gz HERNQCSJTDZEIO-IVZWLZJFSA-N -1 0 319.383 -0.091 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCCOc2cccnc2)C(=O)C1 ZINC000740369987 603006680 /nfs/dbraw/zinc/00/66/80/603006680.db2.gz QZSLGUSSXUIYJQ-UHFFFAOYSA-N -1 0 322.321 -0.601 20 0 DBADRM O=C(Cn1ccc(=O)[nH]c1=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000740389683 603009524 /nfs/dbraw/zinc/00/95/24/603009524.db2.gz WYVYLJASWGNDLR-PBINXNQUSA-N -1 0 322.321 -0.262 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000739308117 603014430 /nfs/dbraw/zinc/01/44/30/603014430.db2.gz CFPVYIVUEUQYKF-MNOVXSKESA-N -1 0 301.343 -0.214 20 0 DBADRM CC(C)(CC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)NC(=O)[O-] ZINC000738730974 603020919 /nfs/dbraw/zinc/02/09/19/603020919.db2.gz KCIOJMFWQHWHCG-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000739806402 603024651 /nfs/dbraw/zinc/02/46/51/603024651.db2.gz SIAZRSRLXHGHDO-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)NCCCNC(=O)[O-])C2=O)cn1 ZINC000740291075 603026461 /nfs/dbraw/zinc/02/64/61/603026461.db2.gz PAQQUVZWLTVURD-JTQLQIEISA-N -1 0 324.341 -0.518 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)NCCNC(=O)[O-])C2=O)cn1 ZINC000740292764 603026664 /nfs/dbraw/zinc/02/66/64/603026664.db2.gz WHWMKFFNNOMCEH-VIFPVBQESA-N -1 0 310.314 -0.908 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000739312982 603027877 /nfs/dbraw/zinc/02/78/77/603027877.db2.gz QOBUKJUARTUUDW-MNOVXSKESA-N -1 0 311.342 -0.058 20 0 DBADRM CCc1cnccc1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739548262 603028416 /nfs/dbraw/zinc/02/84/16/603028416.db2.gz DJMPDSCNFPLXRS-UHFFFAOYSA-N -1 0 306.322 -0.173 20 0 DBADRM CN(Cc1cnccn1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739719942 603030689 /nfs/dbraw/zinc/03/06/89/603030689.db2.gz ZWMQOAAJAVTPHV-UHFFFAOYSA-N -1 0 307.310 -0.743 20 0 DBADRM C[C@@H](O)C[C@@H](C)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739038306 603031839 /nfs/dbraw/zinc/03/18/39/603031839.db2.gz PBISRHGGISVENO-NXEZZACHSA-N -1 0 301.343 -0.668 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739476304 603033284 /nfs/dbraw/zinc/03/32/84/603033284.db2.gz QJTRKMNKZAXQAP-NXEZZACHSA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@H](CCNC(=O)NCCN1C(=O)CCC1=O)NC(=O)[O-] ZINC000738899424 603037162 /nfs/dbraw/zinc/03/71/62/603037162.db2.gz DMMVJMPCBBCIOG-MRVPVSSYSA-N -1 0 300.315 -0.519 20 0 DBADRM CCN(CCNC(=O)NCCN1C(=O)CCC1=O)C(=O)[O-] ZINC000739430413 603037655 /nfs/dbraw/zinc/03/76/55/603037655.db2.gz FABCGHBGEVJRRP-UHFFFAOYSA-N -1 0 300.315 -0.566 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000738550579 603047323 /nfs/dbraw/zinc/04/73/23/603047323.db2.gz LQPDPUBVTIINRK-WDEREUQCSA-N -1 0 314.342 -0.715 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000738550569 603047448 /nfs/dbraw/zinc/04/74/48/603047448.db2.gz LQPDPUBVTIINRK-GHMZBOCLSA-N -1 0 314.342 -0.715 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])CCO1 ZINC000738553366 603052793 /nfs/dbraw/zinc/05/27/93/603052793.db2.gz WSMGIYMCPFZNEG-UTUOFQBUSA-N -1 0 313.354 -0.214 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CCN(C(=O)[O-])[C@@H](C)C2)C1=O ZINC000739813101 603055096 /nfs/dbraw/zinc/05/50/96/603055096.db2.gz VFGSMNQYKHNPNN-ZANVPECISA-N -1 0 314.342 -0.415 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738445350 603055406 /nfs/dbraw/zinc/05/54/06/603055406.db2.gz RUWXULAGUOBCBL-NXEZZACHSA-N -1 0 319.383 -0.344 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)CCNC(=O)[O-])CC2)n1C ZINC000738386092 603056281 /nfs/dbraw/zinc/05/62/81/603056281.db2.gz GWYQPPKADSWQSP-UHFFFAOYSA-N -1 0 310.358 -0.575 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000740578201 603056593 /nfs/dbraw/zinc/05/65/93/603056593.db2.gz SPDTYBPWSQNHSA-IJLUTSLNSA-N -1 0 323.353 -0.058 20 0 DBADRM O=C([O-])N1CCC[C@H]1C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000740406199 603056692 /nfs/dbraw/zinc/05/66/92/603056692.db2.gz QBXSDSVCLTVXBQ-VIFPVBQESA-N -1 0 320.367 -0.815 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000740604024 603058131 /nfs/dbraw/zinc/05/81/31/603058131.db2.gz XOOSZCZBHGNQRW-SCZZXKLOSA-N -1 0 304.368 -0.026 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000738797647 603059744 /nfs/dbraw/zinc/05/97/44/603059744.db2.gz OJPGDMOXDIVHIG-VHSXEESVSA-N -1 0 321.399 -0.277 20 0 DBADRM O=C([O-])N1CCC[C@@H]1C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000740347655 603061141 /nfs/dbraw/zinc/06/11/41/603061141.db2.gz PKTWIEZUSBYGDK-GHMZBOCLSA-N -1 0 309.326 -0.352 20 0 DBADRM CC(C)(CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])N1CCOCC1 ZINC000738746646 603061914 /nfs/dbraw/zinc/06/19/14/603061914.db2.gz KKQJZMKTHVWNFG-GHMZBOCLSA-N -1 0 315.370 -0.673 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCCN(C(=O)[O-])CC1 ZINC000738038564 603062516 /nfs/dbraw/zinc/06/25/16/603062516.db2.gz QPSHHFBBMSHYMS-UHFFFAOYSA-N -1 0 308.356 -0.045 20 0 DBADRM O=C([O-])NC1CCC(NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000740555366 603064551 /nfs/dbraw/zinc/06/45/51/603064551.db2.gz SSENATHDDVSQIA-UHFFFAOYSA-N -1 0 310.310 -0.356 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000738993615 603065039 /nfs/dbraw/zinc/06/50/39/603065039.db2.gz DZLLUKZZARWECY-ZETCQYMHSA-N -1 0 304.328 -0.478 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)CCCNC(=O)[O-])C2=O)n(C)n1 ZINC000830072628 603069608 /nfs/dbraw/zinc/06/96/08/603069608.db2.gz HQDAXHAWUPXUMV-JTQLQIEISA-N -1 0 323.353 -0.002 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCNC(=O)c1cccnc1 ZINC000740438314 603070181 /nfs/dbraw/zinc/07/01/81/603070181.db2.gz CQEVDRVNIVXWMA-MNOVXSKESA-N -1 0 322.321 -0.959 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCC(=O)NCc1ccccc1 ZINC000740375799 603070216 /nfs/dbraw/zinc/07/02/16/603070216.db2.gz BQFIMYCTSWOHKZ-NEPJUHHUSA-N -1 0 321.333 -0.468 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)[C@H](C)NC(=O)[O-])C2=O)n(C)n1 ZINC000830072441 603071681 /nfs/dbraw/zinc/07/16/81/603071681.db2.gz FGZCOHIAUOMLSI-DTWKUNHWSA-N -1 0 309.326 -0.394 20 0 DBADRM O=C([O-])N(CC(=O)N1CC[C@@]2(C1)NC(=O)NC2=O)CC1CC1 ZINC000740732808 603077618 /nfs/dbraw/zinc/07/76/18/603077618.db2.gz OCHPELUOHGNPLW-ZDUSSCGKSA-N -1 0 310.310 -0.813 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CCN(C(=O)[O-])C[C@H]2C)n1 ZINC000739781952 603080966 /nfs/dbraw/zinc/08/09/66/603080966.db2.gz YCRCAQSKAXWWJJ-SECBINFHSA-N -1 0 310.310 -0.329 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)NCCN(C)C(=O)[O-])CCO1 ZINC000739476416 603084465 /nfs/dbraw/zinc/08/44/65/603084465.db2.gz RRFSPFONQCIYJS-SECBINFHSA-N -1 0 303.315 -0.430 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)NCCN(C)C(=O)[O-])CCO1 ZINC000739476417 603084546 /nfs/dbraw/zinc/08/45/46/603084546.db2.gz RRFSPFONQCIYJS-VIFPVBQESA-N -1 0 303.315 -0.430 20 0 DBADRM CN1CCO[C@H](CNC(=O)N[C@@H](CNC(=O)[O-])C2CC2)C1 ZINC000739742636 603084598 /nfs/dbraw/zinc/08/45/98/603084598.db2.gz KJPMCUKWZMGKRN-MNOVXSKESA-N -1 0 300.359 -0.338 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000739466530 603085857 /nfs/dbraw/zinc/08/58/57/603085857.db2.gz SBUNJWJSRDQVBI-SECBINFHSA-N -1 0 322.387 -0.729 20 0 DBADRM O=C([O-])NC1CCC(NS(=O)(=O)N2CCOCC2)CC1 ZINC000740559697 603087231 /nfs/dbraw/zinc/08/72/31/603087231.db2.gz IBZZDFHAJZAZCO-UHFFFAOYSA-N -1 0 307.372 -0.268 20 0 DBADRM CS(=O)(=O)NCCNC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739989513 603092320 /nfs/dbraw/zinc/09/23/20/603092320.db2.gz AYUHMXJKWZBCMY-UHFFFAOYSA-N -1 0 322.387 -0.586 20 0 DBADRM COCCN(CC(=O)N1CCC[C@H](NC(C)=O)C1)C(=O)[O-] ZINC000739816370 603093381 /nfs/dbraw/zinc/09/33/81/603093381.db2.gz KXJXELORKGYPOA-NSHDSACASA-N -1 0 301.343 -0.260 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000739188411 603098108 /nfs/dbraw/zinc/09/81/08/603098108.db2.gz KDGQLUOWXUHDQO-VHSXEESVSA-N -1 0 319.383 -0.043 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCCNc1ncccn1 ZINC000740428103 603099754 /nfs/dbraw/zinc/09/97/54/603099754.db2.gz LHIWERHPAOJYEJ-VHSXEESVSA-N -1 0 309.326 -0.492 20 0 DBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000739040454 603100091 /nfs/dbraw/zinc/10/00/91/603100091.db2.gz RGEJITUFIFAWMK-LDYMZIIASA-N -1 0 309.388 -0.277 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCCNc2ccccn2)C(=O)C1 ZINC000740368421 603101938 /nfs/dbraw/zinc/10/19/38/603101938.db2.gz HYXXRMAGBGYNBO-UHFFFAOYSA-N -1 0 321.337 -0.568 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NC[C@@H](O)c2ccccc2)C(=O)C1 ZINC000740366561 603102154 /nfs/dbraw/zinc/10/21/54/603102154.db2.gz BZKRFLLSJUDYIS-GFCCVEGCSA-N -1 0 321.333 -0.342 20 0 DBADRM Cc1n[nH]cc1CCCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740029254 603102522 /nfs/dbraw/zinc/10/25/22/603102522.db2.gz AZCSPCCZMXTXSK-UHFFFAOYSA-N -1 0 323.353 -0.411 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1C(=O)Cn1nc2ccccn2c1=O ZINC000832551441 603102753 /nfs/dbraw/zinc/10/27/53/603102753.db2.gz NJXVARRXXPPAQB-SNVBAGLBSA-N -1 0 319.321 -0.245 20 0 DBADRM COCCN(CC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000739812020 603103564 /nfs/dbraw/zinc/10/35/64/603103564.db2.gz DLUHFMFFBUTSCB-NXEZZACHSA-N -1 0 324.399 -0.107 20 0 DBADRM COCCN(CC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000739812023 603103733 /nfs/dbraw/zinc/10/37/33/603103733.db2.gz DLUHFMFFBUTSCB-UWVGGRQHSA-N -1 0 324.399 -0.107 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)CNC(=O)c1ccncc1)C1CC1 ZINC000740603055 603104069 /nfs/dbraw/zinc/10/40/69/603104069.db2.gz SMMVWKBHFWJKND-NSHDSACASA-N -1 0 306.322 -0.026 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000740341106 603104288 /nfs/dbraw/zinc/10/42/88/603104288.db2.gz MFZNBBKCAPROBC-QMMMGPOBSA-N -1 0 319.325 -0.429 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCCOC[C@@H]1CCCO1 ZINC000740719115 603105958 /nfs/dbraw/zinc/10/59/58/603105958.db2.gz DJGCTGVDPZEYOA-VWYCJHECSA-N -1 0 303.311 -0.162 20 0 DBADRM CCc1noc(COC(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000739558884 603107232 /nfs/dbraw/zinc/10/72/32/603107232.db2.gz BBDYHQOGBHBDCQ-UHFFFAOYSA-N -1 0 312.282 -0.503 20 0 DBADRM CCc1nc(COC(=O)CN2CCN(C(=O)[O-])CC2=O)no1 ZINC000739561123 603107507 /nfs/dbraw/zinc/10/75/07/603107507.db2.gz TXZKUYCEZRCYLZ-UHFFFAOYSA-N -1 0 312.282 -0.503 20 0 DBADRM COCCN(CC(=O)NCC1(C(N)=O)CCOCC1)C(=O)[O-] ZINC000739818178 603107623 /nfs/dbraw/zinc/10/76/23/603107623.db2.gz IWNGUJOVEADDCD-UHFFFAOYSA-N -1 0 317.342 -0.989 20 0 DBADRM O=C([O-])N1CCN(CC(=O)OCC(=O)c2ccc[nH]2)C(=O)C1 ZINC000740371308 603107832 /nfs/dbraw/zinc/10/78/32/603107832.db2.gz WPZQTDLUXQUGOY-UHFFFAOYSA-N -1 0 309.278 -0.437 20 0 DBADRM Cn1cc(CCCOC(=O)CN2CCN(C(=O)[O-])CC2=O)cn1 ZINC000740285900 603109921 /nfs/dbraw/zinc/10/99/21/603109921.db2.gz IDZAMNJXRLZUPS-UHFFFAOYSA-N -1 0 324.337 -0.282 20 0 DBADRM COCCN(CC(=O)N1CSC[C@H]1C(=O)N(C)C)C(=O)[O-] ZINC000739821781 603110460 /nfs/dbraw/zinc/11/04/60/603110460.db2.gz FXYUGXJUKDCLJZ-VIFPVBQESA-N -1 0 319.383 -0.398 20 0 DBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000832648233 603110548 /nfs/dbraw/zinc/11/05/48/603110548.db2.gz YNYMROVNZJLBBN-VIFPVBQESA-N -1 0 319.383 -0.426 20 0 DBADRM COCCN(CC(=O)N1CCN(C[C@H](C)O)CC1)C(=O)[O-] ZINC000739815624 603112029 /nfs/dbraw/zinc/11/20/29/603112029.db2.gz DSGUWDOGCKEFAF-NSHDSACASA-N -1 0 303.359 -0.862 20 0 DBADRM CCN(CC)C(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739407835 603112324 /nfs/dbraw/zinc/11/23/24/603112324.db2.gz DCHWVUFVRNQYFK-UHFFFAOYSA-N -1 0 315.326 -0.780 20 0 DBADRM COCCN(CC(=O)N1CCCS(=O)(=O)CC1)C(=O)[O-] ZINC000739816825 603113218 /nfs/dbraw/zinc/11/32/18/603113218.db2.gz OOQAJZRYSHVHJB-UHFFFAOYSA-N -1 0 308.356 -0.740 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000739516684 603113693 /nfs/dbraw/zinc/11/36/93/603113693.db2.gz UANJGXKBCYXPHA-DTWKUNHWSA-N -1 0 308.356 -0.095 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000829674285 603117851 /nfs/dbraw/zinc/11/78/51/603117851.db2.gz PFADTNRWZTWLNU-QMMMGPOBSA-N -1 0 314.385 -0.907 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000740611520 603122086 /nfs/dbraw/zinc/12/20/86/603122086.db2.gz KANFXIZTQLGDNT-IUCAKERBSA-N -1 0 305.356 -0.481 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N[C@@H](CCO)C2CC2)CC1 ZINC000740439060 603123377 /nfs/dbraw/zinc/12/33/77/603123377.db2.gz KVXXDNMJVAKKHK-LBPRGKRZSA-N -1 0 314.386 -0.258 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)OCCCN1C(=O)CNC1=O ZINC000740582341 603124990 /nfs/dbraw/zinc/12/49/90/603124990.db2.gz QZHFVLSNNLFSOA-DTWKUNHWSA-N -1 0 313.310 -0.092 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)Cc1nc2ncccn2n1 ZINC000832546923 603125801 /nfs/dbraw/zinc/12/58/01/603125801.db2.gz ZLGMRXDCRKJURE-VIFPVBQESA-N -1 0 304.310 -0.075 20 0 DBADRM CN1C[C@@H](NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1=O ZINC000739723378 603127888 /nfs/dbraw/zinc/12/78/88/603127888.db2.gz LSIJBZYBIOFXQG-JTQLQIEISA-N -1 0 312.370 -0.593 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000828971367 603129997 /nfs/dbraw/zinc/12/99/97/603129997.db2.gz WXWNICORFQDMAH-ZJUUUORDSA-N -1 0 309.388 -0.165 20 0 DBADRM O=C([O-])NC[C@H]1CCC[C@@H]1NS(=O)(=O)N1CCOCC1 ZINC000832481241 603130590 /nfs/dbraw/zinc/13/05/90/603130590.db2.gz HJKZDWBTXBNWLN-ZJUUUORDSA-N -1 0 307.372 -0.411 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N2CCC[C@H]2CNC(=O)[O-])C1=O ZINC000825739624 603131200 /nfs/dbraw/zinc/13/12/00/603131200.db2.gz MWTBDMLNRNDYEA-QMMMGPOBSA-N -1 0 312.326 -0.425 20 0 DBADRM CN(C(=O)N[C@H](CNC(=O)[O-])C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000739574950 603134506 /nfs/dbraw/zinc/13/45/06/603134506.db2.gz DHQKSNGLCITUAL-NXEZZACHSA-N -1 0 319.383 -0.139 20 0 DBADRM CN(C(=O)N[C@H](CNC(=O)[O-])C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000739574952 603134646 /nfs/dbraw/zinc/13/46/46/603134646.db2.gz DHQKSNGLCITUAL-VHSXEESVSA-N -1 0 319.383 -0.139 20 0 DBADRM O=C([O-])NC[C@H]1CCCC[C@H]1NS(=O)(=O)N1CCOCC1 ZINC000832511820 603137011 /nfs/dbraw/zinc/13/70/11/603137011.db2.gz ANIPJZDGLSQYDD-GHMZBOCLSA-N -1 0 321.399 -0.021 20 0 DBADRM CC(C)[C@H](C)NC(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000738770528 603143946 /nfs/dbraw/zinc/14/39/46/603143946.db2.gz WXQZVSBTOFVBJV-IVZWLZJFSA-N -1 0 302.327 -0.197 20 0 DBADRM CC(C)[C@H](C)NC(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000738770530 603144061 /nfs/dbraw/zinc/14/40/61/603144061.db2.gz WXQZVSBTOFVBJV-LPEHRKFASA-N -1 0 302.327 -0.197 20 0 DBADRM COC[C@H]1CCN(C(=O)NCCN2CCN(C(=O)[O-])CC2)C1 ZINC000739807642 603145363 /nfs/dbraw/zinc/14/53/63/603145363.db2.gz WVIIQUZPRXWVDH-LBPRGKRZSA-N -1 0 314.386 -0.040 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCCCN1CCOC1=O ZINC000740721754 603146498 /nfs/dbraw/zinc/14/64/98/603146498.db2.gz UZTQDTAEQKZCMG-BDAKNGLRSA-N -1 0 302.283 -0.515 20 0 DBADRM Cc1csc(=O)n1CCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000740204692 603147649 /nfs/dbraw/zinc/14/76/49/603147649.db2.gz LZJJPHWURNGRSP-BDAKNGLRSA-N -1 0 316.335 -0.125 20 0 DBADRM Cc1csc(=O)n1CCOC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000740204694 603147682 /nfs/dbraw/zinc/14/76/82/603147682.db2.gz LZJJPHWURNGRSP-IUCAKERBSA-N -1 0 316.335 -0.125 20 0 DBADRM CCCCn1nnnc1COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739346295 603148247 /nfs/dbraw/zinc/14/82/47/603148247.db2.gz BEIUWAGTQWJNRV-IUCAKERBSA-N -1 0 313.314 -0.370 20 0 DBADRM NC(=O)c1ccc(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000740331456 603148930 /nfs/dbraw/zinc/14/89/30/603148930.db2.gz LPWRBIVJJQYMRX-QWRGUYRKSA-N -1 0 308.290 -0.058 20 0 DBADRM CCC(C)(C)NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739220022 603152715 /nfs/dbraw/zinc/15/27/15/603152715.db2.gz UDXFSPWQGIWEQP-BDAKNGLRSA-N -1 0 302.327 -0.052 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)Cn1ccc(=O)[nH]c1=O)C(=O)[O-] ZINC000828198705 603153382 /nfs/dbraw/zinc/15/33/82/603153382.db2.gz JQIQXIVBYJFGKE-SECBINFHSA-N -1 0 310.310 -0.450 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)NC2CCC(NC(=O)[O-])CC2)CCO1 ZINC000740327150 603154410 /nfs/dbraw/zinc/15/44/10/603154410.db2.gz KQRQAOGRMCGPPF-RTBKNWGFSA-N -1 0 314.342 -0.539 20 0 DBADRM COCCN(CC(=O)OCC(=O)N1CCO[C@H](C)C1)C(=O)[O-] ZINC000739827536 603162456 /nfs/dbraw/zinc/16/24/56/603162456.db2.gz GDQXDJNAIGYJGX-SNVBAGLBSA-N -1 0 318.326 -0.597 20 0 DBADRM COCCN(CC(=O)O[C@@H](C)C(=O)N1CCNC1=O)C(=O)[O-] ZINC000739827841 603162483 /nfs/dbraw/zinc/16/24/83/603162483.db2.gz UASDNMAPUHSTHW-QMMMGPOBSA-N -1 0 317.298 -0.904 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)CN(C)S(C)(=O)=O)C(=O)[O-] ZINC000828192915 603164433 /nfs/dbraw/zinc/16/44/33/603164433.db2.gz YBTFZPMHUOYXKX-SECBINFHSA-N -1 0 307.372 -0.521 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738165652 603172759 /nfs/dbraw/zinc/17/27/59/603172759.db2.gz YHAYHUJMBIBCQP-MRVPVSSYSA-N -1 0 324.428 -0.858 20 0 DBADRM COCCN1C[C@H](C(=O)N(C)CCCNC(=O)[O-])CC1=O ZINC000739831082 603183746 /nfs/dbraw/zinc/18/37/46/603183746.db2.gz YFPRNQSZGLMMAZ-SNVBAGLBSA-N -1 0 301.343 -0.403 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000740343129 603187399 /nfs/dbraw/zinc/18/73/99/603187399.db2.gz ULUNBBJITYDUTK-BDAKNGLRSA-N -1 0 305.356 -0.592 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000739672502 603188468 /nfs/dbraw/zinc/18/84/68/603188468.db2.gz RRFGOPFSCIGFBO-UHFFFAOYSA-N -1 0 321.341 -0.095 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000736477248 603189565 /nfs/dbraw/zinc/18/95/65/603189565.db2.gz GQURQVMSRNZBEO-NSHDSACASA-N -1 0 314.386 -0.299 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)[C@H]2CSC(=O)N2)CC1 ZINC000740731139 603195487 /nfs/dbraw/zinc/19/54/87/603195487.db2.gz CGANKLCPUDOKLN-SECBINFHSA-N -1 0 316.383 -0.387 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC000739010800 603195508 /nfs/dbraw/zinc/19/55/08/603195508.db2.gz XMYPJZYLCLWLHU-IUCAKERBSA-N -1 0 312.326 -0.425 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@@H]2COCCN2C(=O)[O-])CC1=O ZINC000825861160 603196850 /nfs/dbraw/zinc/19/68/50/603196850.db2.gz PNCKXXMTSCCRBV-RCWTZXSCSA-N -1 0 311.338 -0.509 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738158501 603197113 /nfs/dbraw/zinc/19/71/13/603197113.db2.gz SGVIJQAMOXDEDA-ZJUUUORDSA-N -1 0 319.383 -0.331 20 0 DBADRM COCCN(CC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)C(=O)[O-] ZINC000828976167 603197690 /nfs/dbraw/zinc/19/76/90/603197690.db2.gz JLIHRUYGPSBDPO-GMTAPVOTSA-N -1 0 313.354 -0.262 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)CN1CC(=O)NC1=O ZINC000738806354 603198030 /nfs/dbraw/zinc/19/80/30/603198030.db2.gz PKYBJDPMCMVBDQ-MRVPVSSYSA-N -1 0 300.315 -0.663 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000825185535 603204582 /nfs/dbraw/zinc/20/45/82/603204582.db2.gz FFPREXQSWQACDH-JGVFFNPUSA-N -1 0 316.339 -0.163 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)CN(C)C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825794123 603206415 /nfs/dbraw/zinc/20/64/15/603206415.db2.gz GNKDEWIZZYKGQV-WCBMZHEXSA-N -1 0 309.326 -0.360 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)CCNC(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825794250 603206516 /nfs/dbraw/zinc/20/65/16/603206516.db2.gz ICHFWMVPQUOULB-WCBMZHEXSA-N -1 0 309.326 -0.312 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739990513 603210469 /nfs/dbraw/zinc/21/04/69/603210469.db2.gz GRXCVKDLJUBDHU-VIFPVBQESA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)c1cnn(C)c1 ZINC000738960182 603212380 /nfs/dbraw/zinc/21/23/80/603212380.db2.gz HUWOGECLGWHCLK-SECBINFHSA-N -1 0 309.326 -0.581 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CS(C)(=O)=O ZINC000739200293 603212828 /nfs/dbraw/zinc/21/28/28/603212828.db2.gz AIFFCMRZEUUSKN-HTQZYQBOSA-N -1 0 308.356 -0.349 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)nn1 ZINC000737350090 603214076 /nfs/dbraw/zinc/21/40/76/603214076.db2.gz RRZYLPMXZYSEMO-SECBINFHSA-N -1 0 324.341 -0.762 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)Cn1cccnc1=O ZINC000739204666 603215783 /nfs/dbraw/zinc/21/57/83/603215783.db2.gz KOHFQPOGBIDORB-VHSXEESVSA-N -1 0 324.337 -0.137 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739740812 603218467 /nfs/dbraw/zinc/21/84/67/603218467.db2.gz TZSKNVXBRGUQNQ-JTQLQIEISA-N -1 0 312.370 -0.687 20 0 DBADRM Cc1nc(C)n(C[C@@H]2CN(C(=O)CN(C)C(=O)[O-])CCO2)n1 ZINC000830734839 603219727 /nfs/dbraw/zinc/21/97/27/603219727.db2.gz OCBKVVASBZILCK-NSHDSACASA-N -1 0 311.342 -0.268 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000739984139 603224241 /nfs/dbraw/zinc/22/42/41/603224241.db2.gz NJMACYMWNJQXAH-NXEZZACHSA-N -1 0 322.383 -0.400 20 0 DBADRM CN(CC(=O)N1CCN(c2ccc3nncn3n2)CC1)C(=O)[O-] ZINC000737388883 603232876 /nfs/dbraw/zinc/23/28/76/603232876.db2.gz JGHVKPAPCAAVSV-UHFFFAOYSA-N -1 0 319.325 -0.617 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)CCC(=O)N1CCOCC1 ZINC000739671809 603237289 /nfs/dbraw/zinc/23/72/89/603237289.db2.gz CMQFMQHZFHXKNB-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM CS(=O)(=O)NCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739995499 603237776 /nfs/dbraw/zinc/23/77/76/603237776.db2.gz NAKCSSDEHMCZNS-RKDXNWHRSA-N -1 0 307.372 -0.522 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1CCN(C(=O)[O-])C1)NS(C)(=O)=O ZINC000738748499 603246192 /nfs/dbraw/zinc/24/61/92/603246192.db2.gz YZTCKDXWWHKUAG-MRVPVSSYSA-N -1 0 307.372 -0.570 20 0 DBADRM CN(CCCNC(=O)[O-])CC(=O)NCC(=O)N1CCCC1 ZINC000739681626 603254666 /nfs/dbraw/zinc/25/46/66/603254666.db2.gz HMSJXIPZBOEAFC-UHFFFAOYSA-N -1 0 300.359 -0.686 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739664989 603260243 /nfs/dbraw/zinc/26/02/43/603260243.db2.gz VMFKHANYARYZGD-ZJUUUORDSA-N -1 0 304.368 -0.121 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739462344 603272214 /nfs/dbraw/zinc/27/22/14/603272214.db2.gz NCVZMQHVDSMXFM-LLVKDONJSA-N -1 0 312.370 -0.733 20 0 DBADRM NC(=O)CN1CCC(NC(=O)C[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000831190167 603274064 /nfs/dbraw/zinc/27/40/64/603274064.db2.gz ONGJGNUFJPITPR-NSHDSACASA-N -1 0 312.370 -0.415 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)NCC(=O)NCC(F)(F)F ZINC000739677661 603281776 /nfs/dbraw/zinc/28/17/76/603281776.db2.gz HVXAMJJLLUEPFS-UHFFFAOYSA-N -1 0 314.264 -0.036 20 0 DBADRM COC(=O)C[C@@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])C(=O)OC ZINC000828646119 603275399 /nfs/dbraw/zinc/27/53/99/603275399.db2.gz FEALQRHSPWMNPF-RKDXNWHRSA-N -1 0 316.310 -0.260 20 0 DBADRM CN(CCCNC(=O)[C@H]1CCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000739669460 603277210 /nfs/dbraw/zinc/27/72/10/603277210.db2.gz BWJFQCWINIBQCQ-VIFPVBQESA-N -1 0 307.372 -0.616 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000739992942 603277765 /nfs/dbraw/zinc/27/77/65/603277765.db2.gz UUASBCNFTDYAMI-UWVGGRQHSA-N -1 0 319.383 -0.474 20 0 DBADRM CC(C)(C(=O)OCCn1cncn1)N1CCN(C(=O)[O-])CC1 ZINC000738664859 603278683 /nfs/dbraw/zinc/27/86/83/603278683.db2.gz LLPIDHFSNXTGCS-UHFFFAOYSA-N -1 0 311.342 -0.105 20 0 DBADRM CN(C)C(=O)COC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739597775 603281476 /nfs/dbraw/zinc/28/14/76/603281476.db2.gz WNEZIQXXHNBSJZ-UHFFFAOYSA-N -1 0 301.343 -0.308 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000738994241 603281730 /nfs/dbraw/zinc/28/17/30/603281730.db2.gz JNRPVPHXGLRRSL-SCZZXKLOSA-N -1 0 309.326 -0.312 20 0 DBADRM C[C@@H](C(=O)NC(C(N)=O)C(N)=O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823677421 603281943 /nfs/dbraw/zinc/28/19/43/603281943.db2.gz KTSZMODJKNKHCY-APPZFPTMSA-N -1 0 322.321 -0.913 20 0 DBADRM CS(=O)(=O)NCCNC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000829686391 603286412 /nfs/dbraw/zinc/28/64/12/603286412.db2.gz AIOWXTSQFYYJLT-UHFFFAOYSA-N -1 0 305.312 -0.674 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)[C@H](C)NC(=O)[O-])cn1 ZINC000739833220 603291372 /nfs/dbraw/zinc/29/13/72/603291372.db2.gz VWNUFRKFPRHESB-QMMMGPOBSA-N -1 0 313.314 -0.760 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000827241689 603292219 /nfs/dbraw/zinc/29/22/19/603292219.db2.gz BUVZFBUILUXLLG-SNVBAGLBSA-N -1 0 300.359 -0.687 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000829688794 603292895 /nfs/dbraw/zinc/29/28/95/603292895.db2.gz WKLGGPKKCHQWCD-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM O=C([O-])N1CCC2(CC1)NC(=O)N(CCn1cncn1)C2=O ZINC000740509242 603296528 /nfs/dbraw/zinc/29/65/28/603296528.db2.gz NGCBWMBQVFAIFZ-UHFFFAOYSA-N -1 0 308.298 -0.658 20 0 DBADRM O=C([O-])N1CCC(CC(=O)N2CC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC000740731769 603299929 /nfs/dbraw/zinc/29/99/29/603299929.db2.gz GPHUPVJCAHJZAF-CQSZACIVSA-N -1 0 324.337 -0.423 20 0 DBADRM CN(C(=O)N[C@@H]1CCCN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000737327590 603300939 /nfs/dbraw/zinc/30/09/39/603300939.db2.gz QFZFPADGWSXESO-ZJUUUORDSA-N -1 0 319.383 -0.043 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])c1=O ZINC000740275941 603303335 /nfs/dbraw/zinc/30/33/35/603303335.db2.gz YSDHYGWWRFNAKK-NXEZZACHSA-N -1 0 324.337 -0.901 20 0 DBADRM CS(=O)(=O)CCNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000829675417 603305503 /nfs/dbraw/zinc/30/55/03/603305503.db2.gz WUATZLBUGZYNCQ-DTWKUNHWSA-N -1 0 307.372 -0.234 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000740340575 603307383 /nfs/dbraw/zinc/30/73/83/603307383.db2.gz FXGAEJHLPYWGJM-UWVGGRQHSA-N -1 0 319.383 -0.487 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000740340642 603311670 /nfs/dbraw/zinc/31/16/70/603311670.db2.gz HNVKAZIKFJAQQT-DTWKUNHWSA-N -1 0 305.356 -0.734 20 0 DBADRM C[C@H](CC(=O)NCc1cccc(S(N)(=O)=O)c1)NC(=O)[O-] ZINC000824665944 603313499 /nfs/dbraw/zinc/31/34/99/603313499.db2.gz XYLAFYZRFFQARR-MRVPVSSYSA-N -1 0 315.351 -0.004 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NC1CCN(C(=O)[O-])CC1 ZINC000738126082 603316367 /nfs/dbraw/zinc/31/63/67/603316367.db2.gz ABDRJNQNUKQLFA-UHFFFAOYSA-N -1 0 314.385 -0.907 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000827481204 603317376 /nfs/dbraw/zinc/31/73/76/603317376.db2.gz TXBABASAORFXJH-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@H]1NC(=O)[O-] ZINC000739138114 603320335 /nfs/dbraw/zinc/32/03/35/603320335.db2.gz VTUSDRNAHFSCPB-RKDXNWHRSA-N -1 0 312.326 -0.567 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)N[C@@H](CO)C2CC2)cn1 ZINC000740703991 603321079 /nfs/dbraw/zinc/32/10/79/603321079.db2.gz SBZJYCZPZLSLHI-VIFPVBQESA-N -1 0 308.294 -0.003 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)O[C@H]1CCN(C(=O)[O-])C1 ZINC000740357089 603325471 /nfs/dbraw/zinc/32/54/71/603325471.db2.gz OAMOQXOLORDBND-VIFPVBQESA-N -1 0 306.340 -0.293 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000827476405 603337321 /nfs/dbraw/zinc/33/73/21/603337321.db2.gz YDXWSZCGYAQKLV-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM COCC(=O)NC1CCN(C(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000828881254 603341231 /nfs/dbraw/zinc/34/12/31/603341231.db2.gz UOOMRYALBLHDOR-VIFPVBQESA-N -1 0 301.343 -0.214 20 0 DBADRM COCC(=O)N1CCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000828880587 603349011 /nfs/dbraw/zinc/34/90/11/603349011.db2.gz MFTWKAHWCSBPBK-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM C[C@H](NC(=O)CN1CCN(C(=O)[O-])[C@@H](C)C1)C(=O)N(C)C ZINC000738961094 603357688 /nfs/dbraw/zinc/35/76/88/603357688.db2.gz KXMVLMDMMKHZBS-UWVGGRQHSA-N -1 0 300.359 -0.737 20 0 DBADRM CCC[C@@H](O)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739329698 603357946 /nfs/dbraw/zinc/35/79/46/603357946.db2.gz NSJUIYOWQXRGPI-LLVKDONJSA-N -1 0 302.375 -0.258 20 0 DBADRM C[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[C@H]1NC(=O)[O-] ZINC000739127671 603360476 /nfs/dbraw/zinc/36/04/76/603360476.db2.gz SZCYNFILVBKJFJ-VHSXEESVSA-N -1 0 324.337 -0.569 20 0 DBADRM CS(=O)(=O)CCNC(=S)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000739984968 603376073 /nfs/dbraw/zinc/37/60/73/603376073.db2.gz RRRXWWVDAXHVPM-IUCAKERBSA-N -1 0 323.440 -0.069 20 0 DBADRM CCN(CC(=O)NCCS(=O)(=O)NC(C)(C)C)C(=O)[O-] ZINC000739392253 603380896 /nfs/dbraw/zinc/38/08/96/603380896.db2.gz GNFSPLZBWDHUQW-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM Cc1cncc(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000830634582 603383044 /nfs/dbraw/zinc/38/30/44/603383044.db2.gz ZLMYOHLIDJSLCK-UHFFFAOYSA-N -1 0 306.322 -0.058 20 0 DBADRM NC(=O)Cn1ccc(NC(=O)c2ccc(CNC(=O)[O-])o2)n1 ZINC000831200250 603389013 /nfs/dbraw/zinc/38/90/13/603389013.db2.gz YFCFDQCLDIKOSN-UHFFFAOYSA-N -1 0 307.266 -0.019 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])N[C@H]1CCCCNC1=O ZINC000740364212 603393727 /nfs/dbraw/zinc/39/37/27/603393727.db2.gz LGZDJXOMVZRDIK-MNOVXSKESA-N -1 0 313.354 -0.070 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739635806 603394803 /nfs/dbraw/zinc/39/48/03/603394803.db2.gz TZHIUQNSSWNOFF-UHFFFAOYSA-N -1 0 312.257 -0.202 20 0 DBADRM COc1cc(NC(=O)C(=O)N(C)CC(N)=O)ccc1NC(=O)[O-] ZINC000739866721 603395010 /nfs/dbraw/zinc/39/50/10/603395010.db2.gz KCDDEQIQZHBVIP-UHFFFAOYSA-N -1 0 324.293 -0.333 20 0 DBADRM CN(C)C(=O)CCNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739595497 603395826 /nfs/dbraw/zinc/39/58/26/603395826.db2.gz BUZICWZTBIUMLA-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CC(C)[C@H](CNC(=O)CN1C(=O)NC(C)(C)C1=O)NC(=O)[O-] ZINC000738778839 603418140 /nfs/dbraw/zinc/41/81/40/603418140.db2.gz TUWYGVVDNYJYTG-QMMMGPOBSA-N -1 0 314.342 -0.275 20 0 DBADRM O=C([O-])N(CC(=O)N1CCn2cnnc2C1)C[C@H]1CCCO1 ZINC000740490438 603419985 /nfs/dbraw/zinc/41/99/85/603419985.db2.gz IFMYZAASZCXBJQ-SNVBAGLBSA-N -1 0 309.326 -0.221 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)C[C@H](C)N1C(=O)[O-] ZINC000739119982 603420921 /nfs/dbraw/zinc/42/09/21/603420921.db2.gz IFUGMYLAPPAGTI-DTORHVGOSA-N -1 0 309.326 -0.042 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)C[C@@H](C)N1C(=O)[O-] ZINC000739119984 603420953 /nfs/dbraw/zinc/42/09/53/603420953.db2.gz IFUGMYLAPPAGTI-RKDXNWHRSA-N -1 0 309.326 -0.042 20 0 DBADRM NC(=O)Cn1cc(C(=O)N2CCCC[C@H]2CNC(=O)[O-])nn1 ZINC000831199756 603423796 /nfs/dbraw/zinc/42/37/96/603423796.db2.gz INBODXDWKVXDCE-QMMMGPOBSA-N -1 0 310.314 -0.974 20 0 DBADRM Cn1cc(NC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740290499 603426332 /nfs/dbraw/zinc/42/63/32/603426332.db2.gz OJPTVUBHNMBJSC-IUCAKERBSA-N -1 0 324.337 -0.151 20 0 DBADRM CN1C[C@@H](NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CCC1=O ZINC000739724332 603427100 /nfs/dbraw/zinc/42/71/00/603427100.db2.gz PVPZGJKYYKIYGB-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM CCN(CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739386475 603431736 /nfs/dbraw/zinc/43/17/36/603431736.db2.gz KVDWCTAGVPELGE-SNVBAGLBSA-N -1 0 322.383 -0.352 20 0 DBADRM CCN(CC(=O)NC1CCN(CC(=O)N(C)C)CC1)C(=O)[O-] ZINC000739394749 603433056 /nfs/dbraw/zinc/43/30/56/603433056.db2.gz YEANLVSJBQJECQ-UHFFFAOYSA-N -1 0 314.386 -0.345 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)NCCN2CCN(C(=O)[O-])CC2)c1 ZINC000831216660 603436852 /nfs/dbraw/zinc/43/68/52/603436852.db2.gz UKAYJMBBXGSIGF-UHFFFAOYSA-N -1 0 309.326 -0.861 20 0 DBADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)OCC(=O)N2CCOCC2)C1 ZINC000832297856 603438337 /nfs/dbraw/zinc/43/83/37/603438337.db2.gz QQFFJWNJJXJOMY-ZJUUUORDSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000832247453 603439949 /nfs/dbraw/zinc/43/99/49/603439949.db2.gz PMAXKLYBSAPEHL-DTWKUNHWSA-N -1 0 324.337 -0.377 20 0 DBADRM COC(=O)[C@@]1(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCOC1 ZINC000828624128 603441467 /nfs/dbraw/zinc/44/14/67/603441467.db2.gz LFYIAFBWQZWBKK-VXGBXAGGSA-N -1 0 304.274 -0.473 20 0 DBADRM COC(=O)[C@]1(NC(=O)CN(CC2CC2)C(=O)[O-])CCOC1 ZINC000828625365 603442158 /nfs/dbraw/zinc/44/21/58/603442158.db2.gz ZGZUSDLKLIGPQN-ZDUSSCGKSA-N -1 0 300.311 -0.175 20 0 DBADRM CN(C(=O)NCC(C)(C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000827793796 603442484 /nfs/dbraw/zinc/44/24/84/603442484.db2.gz DOFVXZUOCKQFEK-QMMMGPOBSA-N -1 0 307.372 -0.139 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)OCCCN1CCCC1=O ZINC000831541942 603443455 /nfs/dbraw/zinc/44/34/55/603443455.db2.gz JAWSYNFLPUONSO-UHFFFAOYSA-N -1 0 300.311 -0.079 20 0 DBADRM CN(CCOCC1CC1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000828337670 603444073 /nfs/dbraw/zinc/44/40/73/603444073.db2.gz XNQOUJNZTLUCSI-UHFFFAOYSA-N -1 0 313.354 -0.306 20 0 DBADRM COC(=O)[C@@]1(NC(=O)C2CCN(C(=O)[O-])CC2)CCOC1 ZINC000828623801 603444108 /nfs/dbraw/zinc/44/41/08/603444108.db2.gz HJRNGZYWNDSVIE-CYBMUJFWSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])N1CC(OCC(=O)OCC(=O)NCC(F)(F)F)C1 ZINC000831507589 603445292 /nfs/dbraw/zinc/44/52/92/603445292.db2.gz OBDUENLOODVLGW-UHFFFAOYSA-N -1 0 314.216 -0.413 20 0 DBADRM O=C(COC(=O)COC1CN(C(=O)[O-])C1)NC1CCOCC1 ZINC000831507324 603448215 /nfs/dbraw/zinc/44/82/15/603448215.db2.gz HRKFEIKZQWCLEN-UHFFFAOYSA-N -1 0 316.310 -0.796 20 0 DBADRM O=C(COC(=O)COC1CN(C(=O)[O-])C1)NC1CCCC1 ZINC000831507306 603448336 /nfs/dbraw/zinc/44/83/36/603448336.db2.gz GYFMONYBNAKOBL-UHFFFAOYSA-N -1 0 300.311 -0.033 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)COC2CN(C(=O)[O-])C2)CCO1 ZINC000825987153 603448913 /nfs/dbraw/zinc/44/89/13/603448913.db2.gz BMDSDELPXCPPPM-SECBINFHSA-N -1 0 316.310 -0.844 20 0 DBADRM C[C@H](OC(=O)COC1CN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000825593317 603449013 /nfs/dbraw/zinc/44/90/13/603449013.db2.gz YOHRLDKBTFHMME-VIFPVBQESA-N -1 0 316.310 -0.844 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)OCCCN1CCOC1=O ZINC000831542275 603449025 /nfs/dbraw/zinc/44/90/25/603449025.db2.gz SOQDVTITCDZIIL-UHFFFAOYSA-N -1 0 302.283 -0.249 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)OCC(=O)N1CCCC1=O ZINC000831542490 603449138 /nfs/dbraw/zinc/44/91/38/603449138.db2.gz ZVGLTRQNHYDUIW-UHFFFAOYSA-N -1 0 300.267 -0.943 20 0 DBADRM Cc1cc(NC(=O)COC(=O)COC2CN(C(=O)[O-])C2)no1 ZINC000830108229 603449432 /nfs/dbraw/zinc/44/94/32/603449432.db2.gz WEXHSIQNXGFUIO-UHFFFAOYSA-N -1 0 313.266 -0.156 20 0 DBADRM Cc1oc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000830942503 603451321 /nfs/dbraw/zinc/45/13/21/603451321.db2.gz MJHWMBOJFQNBER-SSDOTTSWSA-N -1 0 317.323 -0.282 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000826074127 603461873 /nfs/dbraw/zinc/46/18/73/603461873.db2.gz ICUNGCZGLSKTDV-YIZRAAEISA-N -1 0 307.372 -0.571 20 0 DBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)CCCNC(=O)[O-] ZINC000826075649 603462887 /nfs/dbraw/zinc/46/28/87/603462887.db2.gz ZWDTYROTHLFMIR-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827474985 603467162 /nfs/dbraw/zinc/46/71/62/603467162.db2.gz CFGAPYMMUWQNIX-BDAKNGLRSA-N -1 0 307.372 -0.522 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCCNC(=O)[O-])cn1C ZINC000828761269 603469495 /nfs/dbraw/zinc/46/94/95/603469495.db2.gz RRBLEHVLPWIPPM-UHFFFAOYSA-N -1 0 319.339 -0.252 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCNC(=O)[O-])cn1C ZINC000828761015 603469675 /nfs/dbraw/zinc/46/96/75/603469675.db2.gz MFOBOTLQNDEXOA-UHFFFAOYSA-N -1 0 305.312 -0.642 20 0 DBADRM NC(=O)C1(CNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CCOCC1 ZINC000831167414 603472786 /nfs/dbraw/zinc/47/27/86/603472786.db2.gz KNOOPBIASTWKQZ-ZJUUUORDSA-N -1 0 313.354 -0.179 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000828543421 603473161 /nfs/dbraw/zinc/47/31/61/603473161.db2.gz VJGLNXDBLIUJSR-GHMZBOCLSA-N -1 0 312.370 -0.687 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)CC1 ZINC000828541356 603473563 /nfs/dbraw/zinc/47/35/63/603473563.db2.gz FMISMVYGYAXTBL-UHFFFAOYSA-N -1 0 324.337 -0.449 20 0 DBADRM CNC(=O)CN1CCN(C(=O)CN(CC2CC2)C(=O)[O-])CC1 ZINC000828543586 603473566 /nfs/dbraw/zinc/47/35/66/603473566.db2.gz WGLLTGAOIWRWBN-UHFFFAOYSA-N -1 0 312.370 -0.733 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827305612 603475145 /nfs/dbraw/zinc/47/51/45/603475145.db2.gz JZXGUXWFWZIQOZ-SECBINFHSA-N -1 0 308.356 -0.047 20 0 DBADRM Cc1ncoc1C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000830829344 603479387 /nfs/dbraw/zinc/47/93/87/603479387.db2.gz JOEQZVIQKACEIK-UHFFFAOYSA-N -1 0 310.310 -0.123 20 0 DBADRM NS(=O)(=O)CCNC(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000831246352 603486273 /nfs/dbraw/zinc/48/62/73/603486273.db2.gz PWIBAQVTTXJZHX-SNVBAGLBSA-N -1 0 315.351 -0.558 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000828881336 603488151 /nfs/dbraw/zinc/48/81/51/603488151.db2.gz XBSGADWMYPRWDB-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H](CCCO)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000824775950 603492495 /nfs/dbraw/zinc/49/24/95/603492495.db2.gz ITIKJZJMPIQQQA-SNVBAGLBSA-N -1 0 316.358 -0.731 20 0 DBADRM C[C@H](CNC(=O)CN1CCN(C(=O)[O-])CC1=O)Cn1ccnc1 ZINC000824923263 603494254 /nfs/dbraw/zinc/49/42/54/603494254.db2.gz XMXGBCNYDMKVAV-LLVKDONJSA-N -1 0 323.353 -0.542 20 0 DBADRM C[C@@H](NC(=O)CN(C)[C@@H]1CCN(C(=O)[O-])C1)C(=O)N(C)C ZINC000825114279 603499536 /nfs/dbraw/zinc/49/95/36/603499536.db2.gz CDQJOIVMOAYSFL-NXEZZACHSA-N -1 0 300.359 -0.737 20 0 DBADRM O=C([O-])N[C@H](CC(=O)NC1=NCC(=O)N1)Cc1ccccc1 ZINC000832100384 603500246 /nfs/dbraw/zinc/50/02/46/603500246.db2.gz YDOWXZWZPGVBKK-JTQLQIEISA-N -1 0 304.306 -0.143 20 0 DBADRM CC(C)(CNC(=O)Cn1cnc2c1ncnc2N)NC(=O)[O-] ZINC000823917067 603500784 /nfs/dbraw/zinc/50/07/84/603500784.db2.gz ADDKTYVRUHVFJO-UHFFFAOYSA-N -1 0 307.314 -0.429 20 0 DBADRM CCCN(CC(C)(C)O)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000826904322 603503345 /nfs/dbraw/zinc/50/33/45/603503345.db2.gz QNZNOVSBEFNCJO-UHFFFAOYSA-N -1 0 315.370 -0.182 20 0 DBADRM CCOCCO[C@H](C)C(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000827404383 603503529 /nfs/dbraw/zinc/50/35/29/603503529.db2.gz FEIPGEKLUICOCA-VXGBXAGGSA-N -1 0 317.386 -0.162 20 0 DBADRM CCOCCO[C@@H](C)C(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000827404381 603503718 /nfs/dbraw/zinc/50/37/18/603503718.db2.gz FEIPGEKLUICOCA-RYUDHWBXSA-N -1 0 317.386 -0.162 20 0 DBADRM NC(=O)Cn1cc(C(=O)O[C@@H]2CCC[C@H]2CNC(=O)[O-])nn1 ZINC000831200189 603507018 /nfs/dbraw/zinc/50/70/18/603507018.db2.gz VVTJDXMOYRVBSH-IONNQARKSA-N -1 0 311.298 -0.644 20 0 DBADRM Cn1ccc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])cc1=O ZINC000828513032 603507366 /nfs/dbraw/zinc/50/73/66/603507366.db2.gz FOKBJMSDCGHKFY-LLVKDONJSA-N -1 0 308.338 -0.591 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)CC2SC(=N)NC2=O)C1 ZINC000827836074 603509792 /nfs/dbraw/zinc/50/97/92/603509792.db2.gz UJZQTGFBGPUARO-NKWVEPMBSA-N -1 0 300.340 -0.246 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)CC2SC(=N)NC2=O)C1 ZINC000827836075 603509879 /nfs/dbraw/zinc/50/98/79/603509879.db2.gz UJZQTGFBGPUARO-RNFRBKRXSA-N -1 0 300.340 -0.246 20 0 DBADRM CN1CCN(C(=O)CCn2ccccc2=O)[C@H](CNC(=O)[O-])C1 ZINC000828501510 603512918 /nfs/dbraw/zinc/51/29/18/603512918.db2.gz WOTYVDZJSJYATD-GFCCVEGCSA-N -1 0 322.365 -0.351 20 0 DBADRM C[C@H](CC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)NC(=O)[O-] ZINC000824622393 603514828 /nfs/dbraw/zinc/51/48/28/603514828.db2.gz LPIKWBVYCUVRBR-MWLCHTKSSA-N -1 0 313.354 -0.071 20 0 DBADRM Cn1cc(CCC(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])cn1 ZINC000828499897 603521395 /nfs/dbraw/zinc/52/13/95/603521395.db2.gz BKCRVUQOOGNRER-LBPRGKRZSA-N -1 0 309.370 -0.237 20 0 DBADRM Cc1noc(CCC(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])n1 ZINC000830920663 603522516 /nfs/dbraw/zinc/52/25/16/603522516.db2.gz OIZXGPANMWFTLU-JTQLQIEISA-N -1 0 311.342 -0.279 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)C[C@H]2CCCN2C(=O)[O-])C1 ZINC000831240222 603524627 /nfs/dbraw/zinc/52/46/27/603524627.db2.gz MDMSNZSKCIPCRC-ZJUUUORDSA-N -1 0 319.383 -0.202 20 0 DBADRM CN(Cc1ccc[nH]1)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000828360474 603526020 /nfs/dbraw/zinc/52/60/20/603526020.db2.gz YFSGRIQCPQPHLF-UHFFFAOYSA-N -1 0 323.353 -0.022 20 0 DBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)NCCS(C)(=O)=O ZINC000828141658 603526234 /nfs/dbraw/zinc/52/62/34/603526234.db2.gz BONQWWYPUSEKSF-UHFFFAOYSA-N -1 0 309.388 -0.034 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000831238971 603527096 /nfs/dbraw/zinc/52/70/96/603527096.db2.gz BXPOROFTPAXVNN-IUCAKERBSA-N -1 0 305.356 -0.734 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827476524 603535790 /nfs/dbraw/zinc/53/57/90/603535790.db2.gz ZWMOXCFCDVPQQS-VHSXEESVSA-N -1 0 321.399 -0.132 20 0 DBADRM Cn1cc(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000831008748 603542293 /nfs/dbraw/zinc/54/22/93/603542293.db2.gz AYNUPBOVPILTJY-YUMQZZPRSA-N -1 0 310.310 -0.541 20 0 DBADRM C[C@H]1CN(C(=O)NCC(C)(C)NC(=O)[O-])CCS1(=O)=O ZINC000825996575 603545274 /nfs/dbraw/zinc/54/52/74/603545274.db2.gz OCLHLKSHPQPOMI-QMMMGPOBSA-N -1 0 307.372 -0.139 20 0 DBADRM COCCCS(=O)(=O)NCCN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000828964250 603545821 /nfs/dbraw/zinc/54/58/21/603545821.db2.gz QKGDKUYYXVPHTO-NSHDSACASA-N -1 0 323.415 -0.374 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000824960906 603546398 /nfs/dbraw/zinc/54/63/98/603546398.db2.gz WTPRCPRXRVKZDL-UWVGGRQHSA-N -1 0 321.399 -0.780 20 0 DBADRM CN(CCCC(=O)N1CCN(C(C)(C)C(N)=O)CC1)C(=O)[O-] ZINC000828277242 603549482 /nfs/dbraw/zinc/54/94/82/603549482.db2.gz ARKNAGBXNVXPAU-UHFFFAOYSA-N -1 0 314.386 -0.216 20 0 DBADRM COc1ccc(CNC(=O)c2n[nH]c(=O)[n-]2)cc1-c1nn[nH]n1 ZINC000826202003 607636193 /nfs/dbraw/zinc/63/61/93/607636193.db2.gz LHKAZZFVYIOBHX-UHFFFAOYSA-N -1 0 316.281 -0.371 20 0 DBADRM CON(C)C(=O)C[C@@]1(C(=O)N(C)OC)CCN(C(=O)[O-])C1 ZINC000829056468 603558235 /nfs/dbraw/zinc/55/82/35/603558235.db2.gz XNWOEPQVQOIROA-LBPRGKRZSA-N -1 0 303.315 -0.214 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000824128087 603560128 /nfs/dbraw/zinc/56/01/28/603560128.db2.gz CCFIBCUBYULHBR-VXGBXAGGSA-N -1 0 317.386 -0.570 20 0 DBADRM CN(CCCC(=O)N(C)C[C@@H](O)CN1CCOCC1)C(=O)[O-] ZINC000828277285 603561628 /nfs/dbraw/zinc/56/16/28/603561628.db2.gz AYXAGCMGLOWZGW-GFCCVEGCSA-N -1 0 317.386 -0.472 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000827044773 603575047 /nfs/dbraw/zinc/57/50/47/603575047.db2.gz CUCURQWADDJLBE-JTQLQIEISA-N -1 0 321.399 -0.131 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000828580217 603585898 /nfs/dbraw/zinc/58/58/98/603585898.db2.gz WXSZDMPHJGMETB-UWVGGRQHSA-N -1 0 321.399 -0.181 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000828580146 603585958 /nfs/dbraw/zinc/58/59/58/603585958.db2.gz VWCHBAZUVDXIHD-ZJUUUORDSA-N -1 0 319.383 -0.331 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000828572333 603591879 /nfs/dbraw/zinc/59/18/79/603591879.db2.gz BNTJRODSPBBTFZ-IUCAKERBSA-N -1 0 307.372 -0.427 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NC[C@H]2CCCCN2C(=O)[O-])c1=O ZINC000830963203 603592257 /nfs/dbraw/zinc/59/22/57/603592257.db2.gz IEBPWNLLGGJABR-MRVPVSSYSA-N -1 0 310.310 -0.252 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2CCCC[C@H]2CNC(=O)[O-])c1=O ZINC000830964489 603592562 /nfs/dbraw/zinc/59/25/62/603592562.db2.gz SSWFABHOLMSBMJ-QMMMGPOBSA-N -1 0 310.310 -0.252 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@](C)(CNC(=O)[O-])CC(C)C ZINC000828573150 603593049 /nfs/dbraw/zinc/59/30/49/603593049.db2.gz NJXHQJLMGVWILB-LLVKDONJSA-N -1 0 309.388 -0.276 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)c1=O ZINC000830964208 603594745 /nfs/dbraw/zinc/59/47/45/603594745.db2.gz QDBAKAZDDTXEJD-VIFPVBQESA-N -1 0 324.337 -0.004 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000830993047 603595034 /nfs/dbraw/zinc/59/50/34/603595034.db2.gz FIPRLGWBQZIGCU-SNVBAGLBSA-N -1 0 309.278 -0.398 20 0 DBADRM CNS(=O)(=O)CC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000828573695 603595723 /nfs/dbraw/zinc/59/57/23/603595723.db2.gz WKWAEWMOXUSTOV-UHFFFAOYSA-N -1 0 307.372 -0.427 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000827847143 603611113 /nfs/dbraw/zinc/61/11/13/603611113.db2.gz UOVCOTRDIAVSLA-BDAKNGLRSA-N -1 0 305.356 -0.433 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NCCN2CCOCC2)C1 ZINC000827849805 603611119 /nfs/dbraw/zinc/61/11/19/603611119.db2.gz BSSCIUKIJMKDKZ-LLVKDONJSA-N -1 0 300.359 -0.288 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000827847144 603611134 /nfs/dbraw/zinc/61/11/34/603611134.db2.gz UOVCOTRDIAVSLA-DTWKUNHWSA-N -1 0 305.356 -0.433 20 0 DBADRM CCn1cc(NC(=O)C(=O)NCC(C)(C)NC(=O)[O-])ccc1=O ZINC000827701119 603617676 /nfs/dbraw/zinc/61/76/76/603617676.db2.gz VFAFULDIAREXGH-UHFFFAOYSA-N -1 0 324.337 -0.031 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000827852480 603618940 /nfs/dbraw/zinc/61/89/40/603618940.db2.gz PYVFTDJMLKZERD-NXEZZACHSA-N -1 0 319.383 -0.185 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])C1 ZINC000831239597 603623225 /nfs/dbraw/zinc/62/32/25/603623225.db2.gz IKZUPQMSFUFOLC-UTLUCORTSA-N -1 0 319.383 -0.298 20 0 DBADRM O=C(C[C@@H]1CCS(=O)(=O)C1)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000831350894 603632502 /nfs/dbraw/zinc/63/25/02/603632502.db2.gz SMMXNKYILRNEGJ-WPRPVWTQSA-N -1 0 319.335 -0.324 20 0 DBADRM COC(=O)CCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000828671205 603634838 /nfs/dbraw/zinc/63/48/38/603634838.db2.gz RQQIISRZKDXTBD-NXEZZACHSA-N -1 0 302.327 -0.051 20 0 DBADRM CN(C[C@@H]1CCOC1)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000828267170 603638235 /nfs/dbraw/zinc/63/82/35/603638235.db2.gz QFDVILGEGUJNNR-LBPRGKRZSA-N -1 0 314.386 -0.040 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000824020880 603640680 /nfs/dbraw/zinc/64/06/80/603640680.db2.gz YOQUEPQDQQTZAS-FUXBKTLASA-N -1 0 312.326 -0.473 20 0 DBADRM CC[C@H]1CC[C@@H](C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)O1 ZINC000826660340 603640762 /nfs/dbraw/zinc/64/07/62/603640762.db2.gz KIWGVHNVMFVOHH-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])NCCCC(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000832609026 603641810 /nfs/dbraw/zinc/64/18/10/603641810.db2.gz OKWTUFNQKLOULJ-ISVAXAHUSA-N -1 0 312.326 -0.471 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000827470873 603645060 /nfs/dbraw/zinc/64/50/60/603645060.db2.gz CYWNHIVVMOMELS-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCNS(C)(=O)=O ZINC000826108576 603645394 /nfs/dbraw/zinc/64/53/94/603645394.db2.gz GYEUCIHSTWZKKH-SFYZADRCSA-N -1 0 323.371 -0.845 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000827470872 603645500 /nfs/dbraw/zinc/64/55/00/603645500.db2.gz CYWNHIVVMOMELS-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM CCOC(=O)C1(O)CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000827289462 603647897 /nfs/dbraw/zinc/64/78/97/603647897.db2.gz CGKLCKYSKAWLGH-SECBINFHSA-N -1 0 302.327 -0.051 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCC(C)(C)NC(=O)[O-] ZINC000824143105 603648727 /nfs/dbraw/zinc/64/87/27/603648727.db2.gz KLXJEIFORQSVIE-MRVPVSSYSA-N -1 0 309.388 -0.277 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)NCCCN1CCCS1(=O)=O ZINC000823955604 603651324 /nfs/dbraw/zinc/65/13/24/603651324.db2.gz FISBFNDVJFRSEG-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCc1cn2c(n1)CCCC2 ZINC000831704148 603651767 /nfs/dbraw/zinc/65/17/67/603651767.db2.gz JHXAUAXVKHUWRR-NEPJUHHUSA-N -1 0 322.365 -0.009 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)CC1CN(C(=O)[O-])C1 ZINC000823778912 603653498 /nfs/dbraw/zinc/65/34/98/603653498.db2.gz NXESDCRHJKMPEH-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000828567044 603652724 /nfs/dbraw/zinc/65/27/24/603652724.db2.gz PIILUSCNLXLQJU-VXGBXAGGSA-N -1 0 321.333 -0.224 20 0 DBADRM Cn1cnnc1C1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000831045878 603652816 /nfs/dbraw/zinc/65/28/16/603652816.db2.gz CMDRSOHCYKFTHP-GHMZBOCLSA-N -1 0 323.353 -0.366 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000827265413 603653240 /nfs/dbraw/zinc/65/32/40/603653240.db2.gz IVWUGBKRZICUJP-SECBINFHSA-N -1 0 322.387 -0.681 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825015365 603657056 /nfs/dbraw/zinc/65/70/56/603657056.db2.gz FDMBYROJGPUENZ-BDAKNGLRSA-N -1 0 307.372 -0.187 20 0 DBADRM CC(C)(CNC(=O)Cn1nc2ccccn2c1=O)NC(=O)[O-] ZINC000823918519 603659505 /nfs/dbraw/zinc/65/95/05/603659505.db2.gz XOHSFNYZCJUBPN-UHFFFAOYSA-N -1 0 307.310 -0.342 20 0 DBADRM CC(C)(CNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)NC(=O)[O-] ZINC000824002205 603661206 /nfs/dbraw/zinc/66/12/06/603661206.db2.gz ZZLPEZAPVPGGAO-UHFFFAOYSA-N -1 0 320.305 -0.008 20 0 DBADRM CN(CCNC(=O)N1CCS(=O)(=O)C(C)(C)C1)C(=O)[O-] ZINC000828324021 603666007 /nfs/dbraw/zinc/66/60/07/603666007.db2.gz HUDHAKNYRJNQFC-UHFFFAOYSA-N -1 0 307.372 -0.185 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)NCC(C)(C)NC(=O)[O-] ZINC000824369789 603670872 /nfs/dbraw/zinc/67/08/72/603670872.db2.gz VFYKQFXQWAODED-UHFFFAOYSA-N -1 0 302.375 -0.395 20 0 DBADRM COCCn1nc(C(=O)NCC(C)(C)NC(=O)[O-])ccc1=O ZINC000829036616 603671361 /nfs/dbraw/zinc/67/13/61/603671361.db2.gz XNKAXGFFIJAVJO-UHFFFAOYSA-N -1 0 312.326 -0.334 20 0 DBADRM CC(C)(CNC(=O)C1CCN(S(N)(=O)=O)CC1)NC(=O)[O-] ZINC000823908983 603672055 /nfs/dbraw/zinc/67/20/55/603672055.db2.gz ZFCDQUQNRKKFMB-UHFFFAOYSA-N -1 0 322.387 -0.936 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N1CCCN(C(=O)[O-])CC1 ZINC000825697396 603682372 /nfs/dbraw/zinc/68/23/72/603682372.db2.gz QOBBBUGZAABJOU-UHFFFAOYSA-N -1 0 312.326 -0.471 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)C1(C(N)=O)CCC1 ZINC000828312860 603682609 /nfs/dbraw/zinc/68/26/09/603682609.db2.gz RYRBUBCCBLNIMV-UHFFFAOYSA-N -1 0 312.370 -0.604 20 0 DBADRM CN(C(=O)CN1CCCS1(=O)=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827764772 603683071 /nfs/dbraw/zinc/68/30/71/603683071.db2.gz HHDLRMMGWNSXLB-VIFPVBQESA-N -1 0 305.356 -0.767 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000823749420 603683373 /nfs/dbraw/zinc/68/33/73/603683373.db2.gz YMCCLFACNUZIMA-UHFFFAOYSA-N -1 0 312.370 -0.606 20 0 DBADRM CCN(CC(=O)N1CCSC[C@H]1S(C)(=O)=O)C(=O)[O-] ZINC000826996611 603684597 /nfs/dbraw/zinc/68/45/97/603684597.db2.gz FBZRKXRWCIMXGI-SECBINFHSA-N -1 0 310.397 -0.068 20 0 DBADRM Cc1cc(CC(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)no1 ZINC000830029760 603684739 /nfs/dbraw/zinc/68/47/39/603684739.db2.gz JALZORDDDMQOJB-UHFFFAOYSA-N -1 0 324.337 -0.194 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)C(C)(C)CNC(=O)[O-])CC1 ZINC000829698748 603685151 /nfs/dbraw/zinc/68/51/51/603685151.db2.gz CEZBWJYDHZJOML-NRFANRHFSA-N -1 0 319.427 -0.197 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)CCN1C(=O)[O-] ZINC000825999777 603686625 /nfs/dbraw/zinc/68/66/25/603686625.db2.gz BKANTGASNPUUQA-ZJUUUORDSA-N -1 0 319.383 -0.185 20 0 DBADRM C[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)[C@H]1CNC(=O)[O-] ZINC000825904307 603690250 /nfs/dbraw/zinc/69/02/50/603690250.db2.gz DULRGFVSIXHTLB-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)[C@@H]1CNC(=O)[O-] ZINC000825904306 603690282 /nfs/dbraw/zinc/69/02/82/603690282.db2.gz DULRGFVSIXHTLB-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@@H]1CNC(=O)[O-] ZINC000825914023 603692587 /nfs/dbraw/zinc/69/25/87/603692587.db2.gz WOXPCDVUACPJSB-NXEZZACHSA-N -1 0 324.337 -0.156 20 0 DBADRM CN(CCNC(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000828324100 603694827 /nfs/dbraw/zinc/69/48/27/603694827.db2.gz KHWQBKZCWWZQIG-UHFFFAOYSA-N -1 0 307.372 -0.280 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)C(C)(C)CNC(=O)[O-] ZINC000828313284 603695106 /nfs/dbraw/zinc/69/51/06/603695106.db2.gz WYRPFLRIQZPVND-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM CNC(=O)[C@H](C)CN(C)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000828526348 603698377 /nfs/dbraw/zinc/69/83/77/603698377.db2.gz MLVKJYAGFWHUFP-MNOVXSKESA-N -1 0 315.370 -0.014 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000831260310 603699624 /nfs/dbraw/zinc/69/96/24/603699624.db2.gz MXNOCQQUXMXBTK-ZCFIWIBFSA-N -1 0 311.298 -0.268 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000828160909 603700207 /nfs/dbraw/zinc/70/02/07/603700207.db2.gz BZCQZJKTJVIYDE-UHFFFAOYSA-N -1 0 308.294 -0.664 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000823574963 603702261 /nfs/dbraw/zinc/70/22/61/603702261.db2.gz LCTNEZQOZNVAQW-SDDRHHMPSA-N -1 0 313.354 -0.526 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N1CCCC[C@H]1CNC(=O)[O-])C(N)=O ZINC000823585708 603703704 /nfs/dbraw/zinc/70/37/04/603703704.db2.gz MSECWBAXSAVOBG-UWVGGRQHSA-N -1 0 314.342 -0.985 20 0 DBADRM C[C@@H]1CCCN(CC(=O)N2CCNC(=O)C2)[C@@H]1CNC(=O)[O-] ZINC000825918034 603707618 /nfs/dbraw/zinc/70/76/18/603707618.db2.gz BJPPZOTVQKGUEH-GHMZBOCLSA-N -1 0 312.370 -0.687 20 0 DBADRM CN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827773924 603708173 /nfs/dbraw/zinc/70/81/73/603708173.db2.gz DYKLSRYOZQXCFF-SECBINFHSA-N -1 0 321.399 -0.085 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)[C@H](C)NS(C)(=O)=O ZINC000825509532 603719350 /nfs/dbraw/zinc/71/93/50/603719350.db2.gz QNDDBLLVNAOCQC-KXUCPTDWSA-N -1 0 321.399 -0.039 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CC[C@]3(CCOC3)C2)C(=O)C1 ZINC000832031720 603720901 /nfs/dbraw/zinc/72/09/01/603720901.db2.gz YITLEBJXRCECQB-AWEZNQCLSA-N -1 0 311.338 -0.552 20 0 DBADRM C[C@H](CCNC(=O)CN1C(=O)NC(=O)C1(C)C)NC(=O)[O-] ZINC000824786444 603721254 /nfs/dbraw/zinc/72/12/54/603721254.db2.gz MHGDHWZDIYDKLX-SSDOTTSWSA-N -1 0 300.315 -0.521 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000831259885 603725327 /nfs/dbraw/zinc/72/53/27/603725327.db2.gz JEPSSXAWNZLHBC-UHFFFAOYSA-N -1 0 311.298 -0.410 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000825178279 603726481 /nfs/dbraw/zinc/72/64/81/603726481.db2.gz RLSOMCMWQJLLBL-SECBINFHSA-N -1 0 309.326 -0.915 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CC[C@H](CNC(=O)[O-])C2)n1C ZINC000830887648 603729850 /nfs/dbraw/zinc/72/98/50/603729850.db2.gz PLJXWUNOISZQLV-LLVKDONJSA-N -1 0 324.385 -0.329 20 0 DBADRM CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)COCCNC(=O)[O-])C1 ZINC000829665997 603730928 /nfs/dbraw/zinc/73/09/28/603730928.db2.gz YLDBAVLZAGMHOL-RKDXNWHRSA-N -1 0 309.340 -0.221 20 0 DBADRM CN(C)C(=O)[C@H]1CSCN1C(=O)CC1CN(C(=O)[O-])C1 ZINC000827953294 603731200 /nfs/dbraw/zinc/73/12/00/603731200.db2.gz GPDOGVNSVVDSMU-SECBINFHSA-N -1 0 301.368 -0.024 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCN(c2cccnn2)CC1 ZINC000831273924 603731291 /nfs/dbraw/zinc/73/12/91/603731291.db2.gz UIQAICVEKVMNHN-MNOVXSKESA-N -1 0 321.337 -0.762 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCC(=O)Nc1cccnc1 ZINC000831433860 603732075 /nfs/dbraw/zinc/73/20/75/603732075.db2.gz XHQHXQKKLQQUNU-QWRGUYRKSA-N -1 0 322.321 -0.360 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000831274549 603736282 /nfs/dbraw/zinc/73/62/82/603736282.db2.gz XHXFSNTXASMNBF-AXFHLTTASA-N -1 0 314.338 -0.289 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000831274552 603736289 /nfs/dbraw/zinc/73/62/89/603736289.db2.gz XHXFSNTXASMNBF-MXWKQRLJSA-N -1 0 314.338 -0.289 20 0 DBADRM CN(CC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O)C(=O)[O-] ZINC000828108966 603736958 /nfs/dbraw/zinc/73/69/58/603736958.db2.gz ZWMGEFXDLIVEDP-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000828703458 603736999 /nfs/dbraw/zinc/73/69/99/603736999.db2.gz BPAZTHVHTKNWRB-IVZWLZJFSA-N -1 0 315.326 -0.553 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CCNC(=O)[O-] ZINC000829687887 603737356 /nfs/dbraw/zinc/73/73/56/603737356.db2.gz OVFIBQNWFLSPKT-DTWKUNHWSA-N -1 0 307.372 -0.522 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC000826111098 603742139 /nfs/dbraw/zinc/74/21/39/603742139.db2.gz ZDISPYOLLIKESF-BDAKNGLRSA-N -1 0 320.367 -0.253 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000823774234 603743693 /nfs/dbraw/zinc/74/36/93/603743693.db2.gz XVBICEUYSWAVSC-BDAKNGLRSA-N -1 0 301.343 -0.479 20 0 DBADRM CC1(C)CN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CCS1(=O)=O ZINC000825718288 603744180 /nfs/dbraw/zinc/74/41/80/603744180.db2.gz DLNRJBHYOBIZIV-IUCAKERBSA-N -1 0 320.367 -0.865 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000825179291 603745735 /nfs/dbraw/zinc/74/57/35/603745735.db2.gz YDAOXDXNXBRREH-XHNCKOQMSA-N -1 0 307.372 -0.523 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)NCCNC(=O)[O-])C2=O)n(C)n1 ZINC000830079025 603745931 /nfs/dbraw/zinc/74/59/31/603745931.db2.gz PZVIUBABCWNRCA-VIFPVBQESA-N -1 0 324.341 -0.599 20 0 DBADRM Cn1cc(N2CCC[C@@H](NC(=O)NCCNC(=O)[O-])C2=O)cn1 ZINC000831008810 603748215 /nfs/dbraw/zinc/74/82/15/603748215.db2.gz CJTFUWVLWTXIMT-SNVBAGLBSA-N -1 0 324.341 -0.518 20 0 DBADRM C[C@@]1(c2ccc(C(=O)NCCNC(=O)[O-])cc2)NC(=O)NC1=O ZINC000825766697 603750299 /nfs/dbraw/zinc/75/02/99/603750299.db2.gz SEDFYFMKYSZEKO-AWEZNQCLSA-N -1 0 320.305 -0.261 20 0 DBADRM C[C@@H](NC(=O)COC(=O)C(C)(C)CNC(=O)[O-])C(=O)N(C)C ZINC000825121338 603750761 /nfs/dbraw/zinc/75/07/61/603750761.db2.gz LDFWBZWOBVOXAU-MRVPVSSYSA-N -1 0 317.342 -0.584 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)C(C)(C)CNC(=O)[O-])n1 ZINC000828546509 603751610 /nfs/dbraw/zinc/75/16/10/603751610.db2.gz DPEPRPIUGOFNNW-UHFFFAOYSA-N -1 0 314.298 -0.305 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)OCC(=O)NC(=O)NC1CC1 ZINC000823972842 603752206 /nfs/dbraw/zinc/75/22/06/603752206.db2.gz HPZRDVFEWPYYLI-UHFFFAOYSA-N -1 0 301.299 -0.188 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NCCNC(=O)[O-])ccc1F ZINC000828578902 603753544 /nfs/dbraw/zinc/75/35/44/603753544.db2.gz GMWFTCIPLPOUHA-UHFFFAOYSA-N -1 0 319.314 -0.269 20 0 DBADRM CC(=O)N1CCC(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000823549909 603757316 /nfs/dbraw/zinc/75/73/16/603757316.db2.gz LTNGQHOSXANWSD-RYUDHWBXSA-N -1 0 313.354 -0.526 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCN(C(=O)[O-])CC1(C)C ZINC000828963965 603758365 /nfs/dbraw/zinc/75/83/65/603758365.db2.gz IKECTPLIJFIRHN-UHFFFAOYSA-N -1 0 309.388 -0.116 20 0 DBADRM COCCN(CC(=O)N1CCC2(CNC(=O)C2)CC1)C(=O)[O-] ZINC000828970980 603761727 /nfs/dbraw/zinc/76/17/27/603761727.db2.gz LBSZWWHHVVRKAW-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM CCN(C(=O)COC1CN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000826979747 603762545 /nfs/dbraw/zinc/76/25/45/603762545.db2.gz LMJGTIUPKPXLMO-VIFPVBQESA-N -1 0 320.367 -0.599 20 0 DBADRM CCN(C(=O)COC1CN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000826979745 603762688 /nfs/dbraw/zinc/76/26/88/603762688.db2.gz LMJGTIUPKPXLMO-SECBINFHSA-N -1 0 320.367 -0.599 20 0 DBADRM CC(C)(C)N1C[C@@H](NC(=O)[C@H]2COCCN2C(=O)[O-])CC1=O ZINC000823774318 603764387 /nfs/dbraw/zinc/76/43/87/603764387.db2.gz ZGYOCGBZBGUATF-VHSXEESVSA-N -1 0 313.354 -0.119 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)NCCN(C(=O)[O-])C2CC2)cn1 ZINC000830995199 603766232 /nfs/dbraw/zinc/76/62/32/603766232.db2.gz WOWKMJRNHDRPLF-LLVKDONJSA-N -1 0 311.342 -0.105 20 0 DBADRM NC(=O)C[C@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)C1CCOCC1 ZINC000831178961 603766348 /nfs/dbraw/zinc/76/63/48/603766348.db2.gz OKMYZBHNTWTOSH-MNOVXSKESA-N -1 0 313.354 -0.227 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)COC1CN(C(=O)[O-])C1 ZINC000827472743 603768006 /nfs/dbraw/zinc/76/80/06/603768006.db2.gz YOYARPYMDGUBTH-QMMMGPOBSA-N -1 0 308.356 -0.695 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000827046352 603769822 /nfs/dbraw/zinc/76/98/22/603769822.db2.gz SWLJCLYXKHAAGN-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)n(C)n1 ZINC000830089972 603770948 /nfs/dbraw/zinc/77/09/48/603770948.db2.gz PMSKNAKHRRHXRZ-VIFPVBQESA-N -1 0 309.326 -0.122 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC000827961290 603772453 /nfs/dbraw/zinc/77/24/53/603772453.db2.gz TXDQCXYXMNVVDP-VIFPVBQESA-N -1 0 317.367 -0.645 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000827960479 603772617 /nfs/dbraw/zinc/77/26/17/603772617.db2.gz JJOCTSYVVGWMRW-VHSXEESVSA-N -1 0 313.354 -0.262 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000828664379 603776126 /nfs/dbraw/zinc/77/61/26/603776126.db2.gz ZMUGZEKSBPEQJT-NOZJJQNGSA-N -1 0 318.301 -0.131 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000828663884 603776203 /nfs/dbraw/zinc/77/62/03/603776203.db2.gz SGKKBYZTJZOUOS-UWVGGRQHSA-N -1 0 300.311 -0.223 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCOC[C@@H]1CCOC1 ZINC000831693795 603776380 /nfs/dbraw/zinc/77/63/80/603776380.db2.gz OJZHHGQCJZPKAZ-OUAUKWLOSA-N -1 0 302.327 -0.731 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)[O-])cnn1C ZINC000829877803 603776892 /nfs/dbraw/zinc/77/68/92/603776892.db2.gz VCJSNBSFNPAFIF-VIFPVBQESA-N -1 0 309.326 -0.074 20 0 DBADRM C[C@@H](NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C(=O)N(C)C ZINC000738959908 603779387 /nfs/dbraw/zinc/77/93/87/603779387.db2.gz XWLZECLEQCMEQJ-NXEZZACHSA-N -1 0 301.343 -0.262 20 0 DBADRM O=C(COC(=O)[C@]1(F)CCN(C(=O)[O-])C1)NC[C@H]1CCCO1 ZINC000831499682 603782494 /nfs/dbraw/zinc/78/24/94/603782494.db2.gz UOMNNWGKNHGVSK-RNCFNFMXSA-N -1 0 318.301 -0.083 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)C[C@H](C)NC(=O)[O-])CCN2C1=O ZINC000827198365 603785165 /nfs/dbraw/zinc/78/51/65/603785165.db2.gz IAENICYXRJOEKJ-DTWKUNHWSA-N -1 0 312.326 -0.473 20 0 DBADRM CCN(CC(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)C(=O)[O-] ZINC000826996958 603785369 /nfs/dbraw/zinc/78/53/69/603785369.db2.gz POMCJUXBRFMRMO-SECBINFHSA-N -1 0 312.326 -0.519 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)CCCNC(=O)[O-])CCN2C1=O ZINC000827200169 603786827 /nfs/dbraw/zinc/78/68/27/603786827.db2.gz RXQPHOKZHXJNEI-SECBINFHSA-N -1 0 312.326 -0.471 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000828602396 603790943 /nfs/dbraw/zinc/79/09/43/603790943.db2.gz VVKBCDQRHXZSKR-BDAKNGLRSA-N -1 0 308.356 -0.191 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000828602399 603791081 /nfs/dbraw/zinc/79/10/81/603791081.db2.gz VVKBCDQRHXZSKR-IUCAKERBSA-N -1 0 308.356 -0.191 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000828601741 603791186 /nfs/dbraw/zinc/79/11/86/603791186.db2.gz QPLNFVZAXKAOCA-RKDXNWHRSA-N -1 0 308.356 -0.143 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000828600571 603791191 /nfs/dbraw/zinc/79/11/91/603791191.db2.gz KEMAXFUCBBUKLC-DTWKUNHWSA-N -1 0 308.356 -0.285 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000828608520 603791741 /nfs/dbraw/zinc/79/17/41/603791741.db2.gz RBKQLZGQYFNANE-IUCAKERBSA-N -1 0 308.356 -0.143 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828601132 603793513 /nfs/dbraw/zinc/79/35/13/603793513.db2.gz MPMLXKZRDVVRAF-RKDXNWHRSA-N -1 0 308.356 -0.191 20 0 DBADRM C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@@H](C)N1C(=O)[O-] ZINC000826041804 603794285 /nfs/dbraw/zinc/79/42/85/603794285.db2.gz KDJWNIFTQXDZMP-HTQZYQBOSA-N -1 0 307.310 -0.212 20 0 DBADRM COCCCNC(=O)COC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828950988 603798664 /nfs/dbraw/zinc/79/86/64/603798664.db2.gz YZIIUMBFVSDQTO-GFCCVEGCSA-N -1 0 306.290 -0.226 20 0 DBADRM COCCCNC(=O)COC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828950989 603798854 /nfs/dbraw/zinc/79/88/54/603798854.db2.gz YZIIUMBFVSDQTO-LBPRGKRZSA-N -1 0 306.290 -0.226 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)n1C ZINC000830887382 603799700 /nfs/dbraw/zinc/79/97/00/603799700.db2.gz JKVPAXNPEZSGLH-LLVKDONJSA-N -1 0 324.385 -0.186 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000827045462 603799802 /nfs/dbraw/zinc/79/98/02/603799802.db2.gz JFGUNGOVIPAPLN-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM COC(=O)c1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])o1 ZINC000828772063 603799826 /nfs/dbraw/zinc/79/98/26/603799826.db2.gz KHKWYTQJJHTBAX-IONNQARKSA-N -1 0 312.278 -0.204 20 0 DBADRM COC(=O)[C@]1(F)CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000828619220 603803570 /nfs/dbraw/zinc/80/35/70/603803570.db2.gz SZQZCTXPYPCMFN-LWINAJNOSA-N -1 0 304.274 -0.787 20 0 DBADRM COC(=O)C1(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CCCC1 ZINC000828618829 603803595 /nfs/dbraw/zinc/80/35/95/603803595.db2.gz QWROZBVAKKKYCW-UWVGGRQHSA-N -1 0 314.338 -0.051 20 0 DBADRM COC(=O)[C@]1(F)CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000828619225 603803652 /nfs/dbraw/zinc/80/36/52/603803652.db2.gz SZQZCTXPYPCMFN-UBJUHAIHSA-N -1 0 304.274 -0.787 20 0 DBADRM COC(=O)NC(C)(C)C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000828714087 603805675 /nfs/dbraw/zinc/80/56/75/603805675.db2.gz PBDGBDCEKWPQFN-MRVPVSSYSA-N -1 0 302.283 -0.014 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)C1(NC(=O)[O-])CCCC1 ZINC000828684633 603810134 /nfs/dbraw/zinc/81/01/34/603810134.db2.gz ZCDYBSKEUIRYBT-MRVPVSSYSA-N -1 0 316.310 -0.212 20 0 DBADRM COCCN1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C[C@H]1C ZINC000828990088 603813741 /nfs/dbraw/zinc/81/37/41/603813741.db2.gz DOQIAZQOUWSCLQ-WOPDTQHZSA-N -1 0 315.370 -0.721 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000825778834 603818836 /nfs/dbraw/zinc/81/88/36/603818836.db2.gz UGUAISOAOZFHBV-RGOKHQFPSA-N -1 0 320.367 -0.866 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828095849 603820305 /nfs/dbraw/zinc/82/03/05/603820305.db2.gz PFHBANLYWIBIRM-ZDUSSCGKSA-N -1 0 317.317 -0.604 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000831274470 603821295 /nfs/dbraw/zinc/82/12/95/603821295.db2.gz WQMWVYPWBCXFNN-TUAOUCFPSA-N -1 0 323.353 -0.370 20 0 DBADRM Cc1nc2n(c1C)CCN(C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])C2 ZINC000830800149 603821336 /nfs/dbraw/zinc/82/13/36/603821336.db2.gz UMRBNMNNZIIMCR-GHMZBOCLSA-N -1 0 308.338 -0.045 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000829675074 603822165 /nfs/dbraw/zinc/82/21/65/603822165.db2.gz VHHIUJLBXHNHMI-NXEZZACHSA-N -1 0 322.383 -0.400 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)[O-])CCO1 ZINC000828663546 603823434 /nfs/dbraw/zinc/82/34/34/603823434.db2.gz OHARRLUNIRVTGV-VHSXEESVSA-N -1 0 300.311 -0.081 20 0 DBADRM COC(=O)NCCCC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000828712828 603824741 /nfs/dbraw/zinc/82/47/41/603824741.db2.gz AEJYSLBYKRISMJ-SECBINFHSA-N -1 0 302.283 -0.013 20 0 DBADRM COCCCNC(=O)[C@H](C)OC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000828950669 603826892 /nfs/dbraw/zinc/82/68/92/603826892.db2.gz OVYGFQWMFLZYBB-LPEHRKFASA-N -1 0 318.326 -0.816 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=S)NCCS(C)(=O)=O)C1 ZINC000827875963 603828896 /nfs/dbraw/zinc/82/88/96/603828896.db2.gz LZFSJTRIYOMKIB-QMMMGPOBSA-N -1 0 309.413 -0.410 20 0 DBADRM COCCN(CC(=O)NC[C@H](O)c1cnn(C)c1)C(=O)[O-] ZINC000828976809 603829581 /nfs/dbraw/zinc/82/95/81/603829581.db2.gz UEWSETJWUGIZDD-JTQLQIEISA-N -1 0 300.315 -0.804 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N[C@@H](CC)C(=O)N1CCOCC1 ZINC000826613997 603831528 /nfs/dbraw/zinc/83/15/28/603831528.db2.gz WXUCNQSFZRNSQR-UWVGGRQHSA-N -1 0 301.343 -0.214 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N[C@H](CNC(=O)[O-])C2CC2)n1C ZINC000830887146 603832489 /nfs/dbraw/zinc/83/24/89/603832489.db2.gz AGDNMLUYXHZKHI-LLVKDONJSA-N -1 0 324.385 -0.282 20 0 DBADRM NC(=O)C1(CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCOCC1 ZINC000831167745 603840211 /nfs/dbraw/zinc/84/02/11/603840211.db2.gz OUDUVDALFMPYIS-CYBMUJFWSA-N -1 0 317.317 -0.523 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NC2CCS(=O)(=O)CC2)C1 ZINC000831893446 603842500 /nfs/dbraw/zinc/84/25/00/603842500.db2.gz BBWHRGMBLWAUSZ-NSHDSACASA-N -1 0 308.331 -0.228 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000831260261 603844348 /nfs/dbraw/zinc/84/43/48/603844348.db2.gz LZUMHYHMWNPSHO-NTSWFWBYSA-N -1 0 311.298 -0.364 20 0 DBADRM CC[C@@H](NC(=O)NCCNC(=O)[O-])C(=O)N1CCOCC1 ZINC000826613731 603845529 /nfs/dbraw/zinc/84/55/29/603845529.db2.gz QDEXRAFFAJXPCR-SECBINFHSA-N -1 0 302.331 -0.809 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000828552225 603847318 /nfs/dbraw/zinc/84/73/18/603847318.db2.gz NTEHRTVXGMRVND-XLPZGREQSA-N -1 0 301.299 -0.190 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NCC(=O)NCC(F)(F)F)C1 ZINC000831489113 603848909 /nfs/dbraw/zinc/84/89/09/603848909.db2.gz NTPFVVADTYHCIC-SECBINFHSA-N -1 0 315.223 -0.127 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCCN2C(=O)CSC2=O)C1 ZINC000831903400 603852222 /nfs/dbraw/zinc/85/22/22/603852222.db2.gz WNSMXKZLLXGWRR-NSHDSACASA-N -1 0 319.314 -0.110 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000825698709 603862245 /nfs/dbraw/zinc/86/22/45/603862245.db2.gz ZBHRWKDWLZTYIP-QMMMGPOBSA-N -1 0 312.326 -0.425 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000827046096 603863058 /nfs/dbraw/zinc/86/30/58/603863058.db2.gz PAWQSZHGAOMCGN-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM COC[C@@](C)(O)CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000828898326 603868425 /nfs/dbraw/zinc/86/84/25/603868425.db2.gz XKCLHSUOAQKZIB-AWEZNQCLSA-N -1 0 317.386 -0.426 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827046124 603871963 /nfs/dbraw/zinc/87/19/63/603871963.db2.gz PGVDFMHQCDAILD-SNVBAGLBSA-N -1 0 321.399 -0.131 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)N1CCN2C(=O)NC[C@H]2C1)C1CC1 ZINC000832420768 603872037 /nfs/dbraw/zinc/87/20/37/603872037.db2.gz HEXIZEBRNVEHDA-UWVGGRQHSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@@]1(C(=O)NCCCNS(C)(=O)=O)CCN(C(=O)[O-])C1 ZINC000825661992 603873424 /nfs/dbraw/zinc/87/34/24/603873424.db2.gz BSKBTVUGFKTMHX-LLVKDONJSA-N -1 0 307.372 -0.568 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cnc3c2ncnc3N)CCN1C(=O)[O-] ZINC000825987858 603875917 /nfs/dbraw/zinc/87/59/17/603875917.db2.gz GQBHIMAUYAOMGV-MRVPVSSYSA-N -1 0 319.325 -0.381 20 0 DBADRM Cc1nc(C(=O)N2CCN(C(=O)[O-])[C@H](C)C2)nn1-c1nc[nH]n1 ZINC000830703485 603876707 /nfs/dbraw/zinc/87/67/07/603876707.db2.gz FRGXZMTUZSXATB-SSDOTTSWSA-N -1 0 320.313 -0.482 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@@H]3COCCN3C(=O)[O-])CC2)cn1 ZINC000831009536 603884336 /nfs/dbraw/zinc/88/43/36/603884336.db2.gz XDBKNAZDBWXWOZ-LBPRGKRZSA-N -1 0 323.353 -0.553 20 0 DBADRM CNC(=O)CC1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000828531895 603886500 /nfs/dbraw/zinc/88/65/00/603886500.db2.gz LLESPUJKLHDDBO-LLVKDONJSA-N -1 0 313.354 -0.260 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCN(C(=O)[O-])CC1 ZINC000828671024 603894458 /nfs/dbraw/zinc/89/44/58/603894458.db2.gz PKGIYEKZJMDTRC-UHFFFAOYSA-N -1 0 309.344 -0.978 20 0 DBADRM CSc1nn(C)c(NC(=O)CCNC(=O)[O-])c1C(N)=O ZINC000829783232 603896121 /nfs/dbraw/zinc/89/61/21/603896121.db2.gz IZWWTOFJDGZXJP-UHFFFAOYSA-N -1 0 301.328 -0.163 20 0 DBADRM COCCc1noc(COC(=O)[C@@H]2COCCN2C(=O)[O-])n1 ZINC000829029675 603897549 /nfs/dbraw/zinc/89/75/49/603897549.db2.gz AROXXPMXJYHTFZ-QMMMGPOBSA-N -1 0 315.282 -0.320 20 0 DBADRM COCCCNC(=O)[C@@H](C)OC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000828950871 603898930 /nfs/dbraw/zinc/89/89/30/603898930.db2.gz VETYPNNPJGUUFW-NXEZZACHSA-N -1 0 318.326 -0.550 20 0 DBADRM CCCC[C@@H](CNC(=O)[O-])NC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000826794001 603899799 /nfs/dbraw/zinc/89/97/99/603899799.db2.gz GITNTTVIWSGSFI-VHSXEESVSA-N -1 0 316.358 -0.292 20 0 DBADRM C[C@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCS1(=O)=O ZINC000825969747 603901322 /nfs/dbraw/zinc/90/13/22/603901322.db2.gz ROPQYTDBWAAEIT-GZMMTYOYSA-N -1 0 308.331 -0.276 20 0 DBADRM C[C@H](OC(=O)[C@H]1COCCN1C(=O)[O-])C(=O)Nc1ncccn1 ZINC000825570883 603901873 /nfs/dbraw/zinc/90/18/73/603901873.db2.gz LULVTWIBRVKPTL-DTWKUNHWSA-N -1 0 324.293 -0.274 20 0 DBADRM CCOCCNC(=O)COC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000827404676 603907308 /nfs/dbraw/zinc/90/73/08/603907308.db2.gz GTXRHMRWXMZQEX-LBPRGKRZSA-N -1 0 306.290 -0.226 20 0 DBADRM O=C([O-])N1CCN(CCCNS(=O)(=O)CCCF)CC1 ZINC000832031285 603912449 /nfs/dbraw/zinc/91/24/49/603912449.db2.gz LCBGFEPDOQUUTD-UHFFFAOYSA-N -1 0 311.379 -0.049 20 0 DBADRM CC(C)N1C(=O)C(=O)N(CN2CC[C@H](N(C)C(=O)[O-])C2)C1=O ZINC000824352282 603918915 /nfs/dbraw/zinc/91/89/15/603918915.db2.gz YBZRHRXKQCBAEO-VIFPVBQESA-N -1 0 312.326 -0.173 20 0 DBADRM CC(C)[C@](C)(O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824063299 603924826 /nfs/dbraw/zinc/92/48/26/603924826.db2.gz BTNHLDFPBDIPDY-CYBMUJFWSA-N -1 0 301.343 -0.668 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)NCC1(O)CCC2(CC1)OCCO2 ZINC000825178625 603925907 /nfs/dbraw/zinc/92/59/07/603925907.db2.gz UGHJXFLPHWZHGD-SECBINFHSA-N -1 0 302.327 -0.193 20 0 DBADRM O=C(C[C@@H]1CCCN1C(=O)[O-])OCC(=O)N1CCOCC1 ZINC000831345331 603931350 /nfs/dbraw/zinc/93/13/50/603931350.db2.gz BXHBUSBKLRVCJJ-JTQLQIEISA-N -1 0 300.311 -0.079 20 0 DBADRM C[C@]1(C(=O)NCCCN2C(=O)CNC2=O)CCN(C(=O)[O-])C1 ZINC000825662228 603934058 /nfs/dbraw/zinc/93/40/58/603934058.db2.gz DIWJMZIQUMITHT-ZDUSSCGKSA-N -1 0 312.326 -0.566 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC1CCS(=O)(=O)CC1 ZINC000831604884 603935715 /nfs/dbraw/zinc/93/57/15/603935715.db2.gz ZBUOOJATZDEYBF-VIFPVBQESA-N -1 0 306.340 -0.941 20 0 DBADRM COC(=O)CNC(=O)COC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000828683752 603936716 /nfs/dbraw/zinc/93/67/16/603936716.db2.gz NEXVJRAUYDYWIL-QMMMGPOBSA-N -1 0 302.283 -0.649 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])C1CC1 ZINC000828646097 603939722 /nfs/dbraw/zinc/93/97/22/603939722.db2.gz DZOBMPHKPIMIIK-UWVGGRQHSA-N -1 0 300.311 -0.177 20 0 DBADRM C[C@]1(C(=O)N2CCO[C@H](Cn3cncn3)C2)CCN(C(=O)[O-])C1 ZINC000825656573 603947729 /nfs/dbraw/zinc/94/77/29/603947729.db2.gz GSOKLTFTKOCLOA-FZMZJTMJSA-N -1 0 323.353 -0.105 20 0 DBADRM C[C@]1(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)CCN(C(=O)[O-])C1 ZINC000825651315 603949241 /nfs/dbraw/zinc/94/92/41/603949241.db2.gz XJSSYDYOJANEJZ-CABZTGNLSA-N -1 0 319.383 -0.344 20 0 DBADRM CCO[C@H](C)C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000827362847 603954091 /nfs/dbraw/zinc/95/40/91/603954091.db2.gz UOKTWBWRDFOYRA-MRVPVSSYSA-N -1 0 312.330 -0.032 20 0 DBADRM O=C(C[C@@H]1CCOC1)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000831351688 603954961 /nfs/dbraw/zinc/95/49/61/603954961.db2.gz ZKLTZGSGKRSINZ-VIFPVBQESA-N -1 0 324.341 -0.030 20 0 DBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3ccon3)n2)CC1 ZINC000831815907 603959932 /nfs/dbraw/zinc/95/99/32/603959932.db2.gz WGSWBHWDZWLQFO-UHFFFAOYSA-N -1 0 307.270 -0.155 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000823560901 603962612 /nfs/dbraw/zinc/96/26/12/603962612.db2.gz HDLOYWBFWGQNIE-VIFPVBQESA-N -1 0 315.326 -0.734 20 0 DBADRM NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)COCCNC(=O)[O-] ZINC000831172750 603969911 /nfs/dbraw/zinc/96/99/11/603969911.db2.gz JWXQGVWQHOQNSK-UWVGGRQHSA-N -1 0 301.343 -0.179 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)C[C@H](C)NC(=O)[O-])CC2 ZINC000829051067 603971686 /nfs/dbraw/zinc/97/16/86/603971686.db2.gz YBZFSWXMOMBGPC-IUCAKERBSA-N -1 0 311.342 -0.098 20 0 DBADRM C[C@@H](CC(=O)OCC(=O)N(C)Cc1cnn(C)c1)NC(=O)[O-] ZINC000824718963 603974334 /nfs/dbraw/zinc/97/43/34/603974334.db2.gz JKSLXVURXPTZDK-VIFPVBQESA-N -1 0 312.326 -0.032 20 0 DBADRM NC(=O)NC[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000831208738 603979845 /nfs/dbraw/zinc/97/98/45/603979845.db2.gz UUPHYTLJTZVEFN-ZANVPECISA-N -1 0 316.333 -0.015 20 0 DBADRM CCOC(=O)CN(C(=O)COC1CN(C(=O)[O-])C1)C1CC1 ZINC000827313470 603984688 /nfs/dbraw/zinc/98/46/88/603984688.db2.gz PPUSSHYEIHRPBP-UHFFFAOYSA-N -1 0 300.311 -0.081 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)n[nH]1 ZINC000828700482 603985016 /nfs/dbraw/zinc/98/50/16/603985016.db2.gz WDBRHDFZTYZURH-BQBZGAKWSA-N -1 0 311.298 -0.105 20 0 DBADRM C[C@@H](OC(=O)CN(CC1CC1)C(=O)[O-])C(=O)N1CCNC1=O ZINC000825592671 603989544 /nfs/dbraw/zinc/98/95/44/603989544.db2.gz PKLQPUORFSBARA-MRVPVSSYSA-N -1 0 313.310 -0.140 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)COC1CN(C(=O)[O-])C1 ZINC000823755341 603992635 /nfs/dbraw/zinc/99/26/35/603992635.db2.gz ZFOPUAWRWLDBMM-UHFFFAOYSA-N -1 0 301.343 -0.356 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000827517996 603997233 /nfs/dbraw/zinc/99/72/33/603997233.db2.gz GIMXZYJWISBUKY-JTQLQIEISA-N -1 0 309.326 -0.359 20 0 DBADRM CCc1nnc2n1CCN(C(=O)COC1CN(C(=O)[O-])C1)C2 ZINC000827657372 604001529 /nfs/dbraw/zinc/00/15/29/604001529.db2.gz YYYXIXLZRJZVGA-UHFFFAOYSA-N -1 0 309.326 -0.439 20 0 DBADRM COC[C@](C)(O)CNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000828896688 604003702 /nfs/dbraw/zinc/00/37/02/604003702.db2.gz LIVBXRNMKPLWES-ZWNOBZJWSA-N -1 0 304.343 -0.341 20 0 DBADRM CCC[C@](C)(O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000826730246 604006668 /nfs/dbraw/zinc/00/66/68/604006668.db2.gz YDBMJDCRHZQFDF-ZDUSSCGKSA-N -1 0 301.343 -0.524 20 0 DBADRM CN(CCNC(=O)COC1CN(C(=O)[O-])C1)CC(F)(F)F ZINC000828321386 604007652 /nfs/dbraw/zinc/00/76/52/604007652.db2.gz OVTYQDWGELLKMR-UHFFFAOYSA-N -1 0 313.276 -0.025 20 0 DBADRM COCCN1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000828993143 604007854 /nfs/dbraw/zinc/00/78/54/604007854.db2.gz XVDAKUIWTDLVSD-CYBMUJFWSA-N -1 0 303.334 -0.131 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000824751570 604008098 /nfs/dbraw/zinc/00/80/98/604008098.db2.gz KZLYWQLQUOSVBU-JTQLQIEISA-N -1 0 315.374 -0.765 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCCOC[C@H]1CCCO1 ZINC000831534432 604010039 /nfs/dbraw/zinc/01/00/39/604010039.db2.gz ZWROMJDNBOWIFD-SNVBAGLBSA-N -1 0 302.327 -0.323 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)n[nH]1 ZINC000828699666 604011099 /nfs/dbraw/zinc/01/10/99/604011099.db2.gz IYDCZMCKHASFJT-LLVKDONJSA-N -1 0 315.261 -0.449 20 0 DBADRM CCCC[C@@H](CNC(=O)[O-])NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000826782026 604012650 /nfs/dbraw/zinc/01/26/50/604012650.db2.gz UOAGJNSKVXFJIA-BDAKNGLRSA-N -1 0 309.388 -0.133 20 0 DBADRM C[C@H]1CN(C(=O)COC2CN(C(=O)[O-])C2)CCS1(=O)=O ZINC000825988935 604013804 /nfs/dbraw/zinc/01/38/04/604013804.db2.gz QGUQWUZFBOXWHI-QMMMGPOBSA-N -1 0 306.340 -0.989 20 0 DBADRM Cn1ncc2c1nnn(CN1CCC(CNC(=O)[O-])CC1)c2=O ZINC000831055093 604017268 /nfs/dbraw/zinc/01/72/68/604017268.db2.gz ONMHLGRFMWJLNW-UHFFFAOYSA-N -1 0 321.341 -0.538 20 0 DBADRM CC1N=NC(=S)N1CCNC(=O)COC1CN(C(=O)[O-])C1 ZINC000830893053 604017283 /nfs/dbraw/zinc/01/72/83/604017283.db2.gz JDWXKRLCKXVSPA-UHFFFAOYSA-N -1 0 315.355 -0.630 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(Cn2nnc3c(cnn3C)c2=O)C1 ZINC000827894294 604017350 /nfs/dbraw/zinc/01/73/50/604017350.db2.gz HWCBHVFMQPAYPI-QMMMGPOBSA-N -1 0 307.314 -0.833 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000831261464 604020662 /nfs/dbraw/zinc/02/06/62/604020662.db2.gz XKMQHTGDFBBKLQ-RQJHMYQMSA-N -1 0 323.309 -0.173 20 0 DBADRM O=C([O-])NCc1nnnn1CC(=O)NC(=O)NCc1ccco1 ZINC000832739663 604034683 /nfs/dbraw/zinc/03/46/83/604034683.db2.gz YMHXJJKRYKZFAK-UHFFFAOYSA-N -1 0 323.269 -0.940 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000825270997 604040597 /nfs/dbraw/zinc/04/05/97/604040597.db2.gz CYJWFVPQHVXEQE-GHMZBOCLSA-N -1 0 321.399 -0.069 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)OCC(=O)NC(=O)NC2CC2)C1 ZINC000832299297 604041328 /nfs/dbraw/zinc/04/13/28/604041328.db2.gz ZBLQAMPXSSJSMY-IONNQARKSA-N -1 0 313.310 -0.046 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)S(=O)(=O)CCCF ZINC000828315782 604046080 /nfs/dbraw/zinc/04/60/80/604046080.db2.gz DXYYEUFSZBKJDF-UHFFFAOYSA-N -1 0 311.379 -0.097 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000827513604 604050967 /nfs/dbraw/zinc/05/09/67/604050967.db2.gz BERSNXZPMUNJGS-FVINQWEUSA-N -1 0 305.400 -0.445 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827250921 604051833 /nfs/dbraw/zinc/05/18/33/604051833.db2.gz VSAZPKYATOETJK-JGVFFNPUSA-N -1 0 301.299 -0.188 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000825170686 604054290 /nfs/dbraw/zinc/05/42/90/604054290.db2.gz CSXBKTIAQLBJFL-UWVGGRQHSA-N -1 0 321.399 -0.780 20 0 DBADRM CNC(=O)N1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC000828552267 604056325 /nfs/dbraw/zinc/05/63/25/604056325.db2.gz PFPLHUYDGIWVOV-QMMMGPOBSA-N -1 0 302.356 -0.477 20 0 DBADRM O=C([O-])N1CCC(n2cc(C(=O)N3CC[C@H](O)C3)nn2)CC1 ZINC000831969419 604058892 /nfs/dbraw/zinc/05/88/92/604058892.db2.gz MNANMUDEMNOCJK-JTQLQIEISA-N -1 0 309.326 -0.200 20 0 DBADRM CCNC(=O)C1CN(C(=O)[C@H](CCSC)NC(=O)[O-])C1 ZINC000827236633 604065264 /nfs/dbraw/zinc/06/52/64/604065264.db2.gz HFIMUUQGXCLVJI-VIFPVBQESA-N -1 0 303.384 -0.030 20 0 DBADRM CCNC(=O)C1CN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC000827236907 604065274 /nfs/dbraw/zinc/06/52/74/604065274.db2.gz LVYYPPQGWGYGCZ-NSHDSACASA-N -1 0 313.354 -0.260 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000830601453 604074591 /nfs/dbraw/zinc/07/45/91/604074591.db2.gz LHMWYQMVOGHYDC-UHFFFAOYSA-N -1 0 322.321 -0.546 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N(CCO)CC2CC2)CC1 ZINC000832036153 604076161 /nfs/dbraw/zinc/07/61/61/604076161.db2.gz HOQCYVHLSLYRRW-UHFFFAOYSA-N -1 0 314.386 -0.304 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000824833469 604078818 /nfs/dbraw/zinc/07/88/18/604078818.db2.gz OICCHHWQTDSLGX-MRVPVSSYSA-N -1 0 312.326 -0.567 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1CC(=O)NCC(=O)N1CCCC1 ZINC000832568531 604079815 /nfs/dbraw/zinc/07/98/15/604079815.db2.gz VSNIBCVHDLSIGE-LLVKDONJSA-N -1 0 312.370 -0.543 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)OC[C@H]1CCN(C(=O)[O-])C1 ZINC000831265242 604086856 /nfs/dbraw/zinc/08/68/56/604086856.db2.gz DTTHXXWVDSZWGJ-QMMMGPOBSA-N -1 0 320.309 -0.048 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)[O-])CC1 ZINC000828540760 604090594 /nfs/dbraw/zinc/09/05/94/604090594.db2.gz ALFGGTQQKHQBMA-WDEREUQCSA-N -1 0 312.370 -0.687 20 0 DBADRM COC(=O)CCNC(=O)CN1CCN(C(=O)[O-])CC1(C)C ZINC000828674278 604098056 /nfs/dbraw/zinc/09/80/56/604098056.db2.gz AJOBDSQDRIOHIQ-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NCCCN(C(=O)[O-])C2CC2)c1=O ZINC000830964186 604099409 /nfs/dbraw/zinc/09/94/09/604099409.db2.gz PNWITSVTTVEIRP-UHFFFAOYSA-N -1 0 310.310 -0.252 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@H](C)CN(C)C(=O)[O-])CC1 ZINC000828881333 604102707 /nfs/dbraw/zinc/10/27/07/604102707.db2.gz WXGLQKLURHWAMF-SNVBAGLBSA-N -1 0 301.343 -0.451 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)[C@]2(C)CCN(C(=O)[O-])C2)n1 ZINC000828076149 604105335 /nfs/dbraw/zinc/10/53/35/604105335.db2.gz AGERGDOWUBPYCV-CYBMUJFWSA-N -1 0 324.341 -0.047 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)n1 ZINC000828076154 604105507 /nfs/dbraw/zinc/10/55/07/604105507.db2.gz AGERGDOWUBPYCV-ZDUSSCGKSA-N -1 0 324.341 -0.047 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000828683377 604112296 /nfs/dbraw/zinc/11/22/96/604112296.db2.gz JBEOPCVGCNIQOK-GFCCVEGCSA-N -1 0 302.283 -0.791 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000831590951 604112875 /nfs/dbraw/zinc/11/28/75/604112875.db2.gz HFKRWPUBWJPERN-BDAKNGLRSA-N -1 0 307.310 -0.369 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000828683656 604116295 /nfs/dbraw/zinc/11/62/95/604116295.db2.gz KOPQNLSFTWKFPJ-AMIZOPFISA-N -1 0 316.310 -0.403 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)c1=O ZINC000831022567 604144426 /nfs/dbraw/zinc/14/44/26/604144426.db2.gz KENOIEDDLPBALG-VIFPVBQESA-N -1 0 322.321 -0.560 20 0 DBADRM O=C([O-])NCCNC(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000832641895 604145227 /nfs/dbraw/zinc/14/52/27/604145227.db2.gz NDAMHWGLIKTLGZ-UHFFFAOYSA-N -1 0 318.293 -0.410 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])c1=O ZINC000831023221 604148099 /nfs/dbraw/zinc/14/80/99/604148099.db2.gz ZTTQLQFBJGBLKS-SECBINFHSA-N -1 0 322.321 -0.418 20 0 DBADRM COCCN(CC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000828971352 604148378 /nfs/dbraw/zinc/14/83/78/604148378.db2.gz WNLCLJGXAHKDTD-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])N1CCC(CNC(=O)N2CCO[C@@H](CO)C2)CC1 ZINC000831879020 604167615 /nfs/dbraw/zinc/16/76/15/604167615.db2.gz RJKKHILSYBATEE-LLVKDONJSA-N -1 0 301.343 -0.221 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000824855137 604168893 /nfs/dbraw/zinc/16/88/93/604168893.db2.gz OBPAHUIWTDWFKQ-NSHDSACASA-N -1 0 314.386 -0.487 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000828971511 604170415 /nfs/dbraw/zinc/17/04/15/604170415.db2.gz YOFDJUMDYLCKPV-JTQLQIEISA-N -1 0 303.359 -0.205 20 0 DBADRM O=C([O-])N1CC[C@@H](CCNC(=O)N2CCO[C@H](CO)C2)C1 ZINC000831874753 604171976 /nfs/dbraw/zinc/17/19/76/604171976.db2.gz OEFNTNMTXCKNKU-MNOVXSKESA-N -1 0 301.343 -0.221 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])C1 ZINC000828572597 604172561 /nfs/dbraw/zinc/17/25/61/604172561.db2.gz FFXCAYCRXXVBHZ-UWVGGRQHSA-N -1 0 321.399 -0.228 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)[C@]1(C)CCCO1 ZINC000828090099 604175174 /nfs/dbraw/zinc/17/51/74/604175174.db2.gz KBJGQDDITKRYGQ-AWEZNQCLSA-N -1 0 313.354 -0.164 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000824834509 604177162 /nfs/dbraw/zinc/17/71/62/604177162.db2.gz YNLMWKVFOMMIEV-RKDXNWHRSA-N -1 0 307.372 -0.618 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC000825508629 604180376 /nfs/dbraw/zinc/18/03/76/604180376.db2.gz IRTUITHRUTUYAR-UTLUCORTSA-N -1 0 321.399 -0.181 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])CCO1 ZINC000831178985 604181476 /nfs/dbraw/zinc/18/14/76/604181476.db2.gz PCMSDENXUJZRIY-AEJSXWLSSA-N -1 0 314.342 -0.682 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000824881271 604182240 /nfs/dbraw/zinc/18/22/40/604182240.db2.gz WEIKXEROQDWIGF-LURJTMIESA-N -1 0 320.327 -0.201 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC000825209174 604194725 /nfs/dbraw/zinc/19/47/25/604194725.db2.gz BGGOZJDMMRGFOG-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@H](COC(=O)Cn1cnc2c(cnn2C)c1=O)NC(=O)[O-] ZINC000824993537 604205410 /nfs/dbraw/zinc/20/54/10/604205410.db2.gz AYWGOWSDQITEMN-SSDOTTSWSA-N -1 0 309.282 -0.671 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(c2ncccc2S(N)(=O)=O)C1 ZINC000827901114 604220736 /nfs/dbraw/zinc/22/07/36/604220736.db2.gz VFZGFYNTHWMZGP-MRVPVSSYSA-N -1 0 300.340 -0.083 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000828670137 604229159 /nfs/dbraw/zinc/22/91/59/604229159.db2.gz BXZVGQIEVQEBRP-QMMMGPOBSA-N -1 0 311.360 -0.686 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000828671692 604230002 /nfs/dbraw/zinc/23/00/02/604230002.db2.gz XWDCWZHOMRPUCN-VIFPVBQESA-N -1 0 323.371 -0.590 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000826108836 604230942 /nfs/dbraw/zinc/23/09/42/604230942.db2.gz HLMMLQDISWETIA-AXTSPUMRSA-N -1 0 302.327 -0.556 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000827304994 604235774 /nfs/dbraw/zinc/23/57/74/604235774.db2.gz ASOCCYLQXAUSTH-SECBINFHSA-N -1 0 308.356 -0.047 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(S(=O)(=O)CCS(C)(=O)=O)C1 ZINC000827896988 604236782 /nfs/dbraw/zinc/23/67/82/604236782.db2.gz YXMNMRWURQRFOY-QMMMGPOBSA-N -1 0 314.385 -0.955 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC(NC(=O)[O-])CC1 ZINC000828600546 604243892 /nfs/dbraw/zinc/24/38/92/604243892.db2.gz JXTKWDUHGQYULM-MRVPVSSYSA-N -1 0 308.356 -0.143 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)NCCN(C)C(=O)[O-])cn1 ZINC000827967528 604249998 /nfs/dbraw/zinc/24/99/98/604249998.db2.gz ZATREBKVSMMJSR-UHFFFAOYSA-N -1 0 312.330 -0.297 20 0 DBADRM CS(=O)(=O)NCCOC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000829686622 604252794 /nfs/dbraw/zinc/25/27/94/604252794.db2.gz DSRPSBVOKJPBLZ-VIFPVBQESA-N -1 0 324.355 -0.762 20 0 DBADRM CC(C)(C)N1C[C@H](NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1=O ZINC000823773732 604265248 /nfs/dbraw/zinc/26/52/48/604265248.db2.gz VIHYFOWYBUHQKX-ZJUUUORDSA-N -1 0 313.354 -0.119 20 0 DBADRM COC(=O)[C@H]1COCCN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828639001 604267264 /nfs/dbraw/zinc/26/72/64/604267264.db2.gz DOTJSEPCUQTXNZ-NXEZZACHSA-N -1 0 316.310 -0.844 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)C2 ZINC000830800284 604271751 /nfs/dbraw/zinc/27/17/51/604271751.db2.gz WVGCRYWZSVDRJJ-JTQLQIEISA-N -1 0 309.326 -0.302 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000831645528 604273295 /nfs/dbraw/zinc/27/32/95/604273295.db2.gz CCFBMHBWRZXGMP-IUCAKERBSA-N -1 0 305.356 -0.385 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000829670005 604274321 /nfs/dbraw/zinc/27/43/21/604274321.db2.gz SUXBRVLEMJHUMF-SECBINFHSA-N -1 0 320.367 -0.694 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)nn1 ZINC000825528093 604274648 /nfs/dbraw/zinc/27/46/48/604274648.db2.gz JGZJLZKDFOQVGA-ZJUUUORDSA-N -1 0 311.342 -0.162 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@](C)(CNC(=O)[O-])C2CC2)nn1 ZINC000825528870 604278757 /nfs/dbraw/zinc/27/87/57/604278757.db2.gz UVHCDYQIYQIXCX-ISVAXAHUSA-N -1 0 311.342 -0.116 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCC(N(C)C(=O)[O-])CC2)nn1 ZINC000825528380 604278865 /nfs/dbraw/zinc/27/88/65/604278865.db2.gz LYJGQRTZWPJSGI-VIFPVBQESA-N -1 0 311.342 -0.068 20 0 DBADRM CC(C)(C)[C@H](NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C(N)=O ZINC000823839546 604283722 /nfs/dbraw/zinc/28/37/22/604283722.db2.gz ZXEAMHJVZQPUGU-WCBMZHEXSA-N -1 0 301.343 -0.229 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=S)NCCN2CCOCC2)C1 ZINC000740593830 604285830 /nfs/dbraw/zinc/28/58/30/604285830.db2.gz NTOYEQXBBPHTKT-SNVBAGLBSA-N -1 0 302.400 -0.465 20 0 DBADRM COC[C@@](C)(NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)OC ZINC000828885398 604286547 /nfs/dbraw/zinc/28/65/47/604286547.db2.gz DLFNTNPYSGXSLX-QPUJVOFHSA-N -1 0 304.299 -0.941 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CC[C@@H](NC(=O)[O-])C2)C1=O ZINC000739809803 604291635 /nfs/dbraw/zinc/29/16/35/604291635.db2.gz GVFRQGBMFRLJET-PELKAZGASA-N -1 0 300.315 -0.757 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828617915 604298208 /nfs/dbraw/zinc/29/82/08/604298208.db2.gz JIMMSMIURGTJAU-RNCFNFMXSA-N -1 0 300.311 -0.223 20 0 DBADRM CC(=O)N1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)[C@H](C)C1 ZINC000823555094 604304939 /nfs/dbraw/zinc/30/49/39/604304939.db2.gz AGFPTFMGPRJIOR-PWSUYJOCSA-N -1 0 313.354 -0.166 20 0 DBADRM CC(C)(C(=O)NCCc1nnc[nH]1)N1CCN(C(=O)[O-])CC1 ZINC000823743517 604305443 /nfs/dbraw/zinc/30/54/43/604305443.db2.gz IEPSHLJSHZGZLM-UHFFFAOYSA-N -1 0 310.358 -0.462 20 0 DBADRM O=C([O-])CC1(NC(=O)CNC(=O)c2cccnc2)CCOCC1 ZINC000833203139 604305441 /nfs/dbraw/zinc/30/54/41/604305441.db2.gz IOHUBZQAQSBUBP-UHFFFAOYSA-N -1 0 321.333 -0.049 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NC[C@]2(CCO)CCOC2)C1 ZINC000831627181 604306062 /nfs/dbraw/zinc/30/60/62/604306062.db2.gz GWEKPFIXOZESRT-MFKMUULPSA-N -1 0 302.327 -0.730 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)NC[C@]2(CCO)CCOC2)C1 ZINC000831380589 604306131 /nfs/dbraw/zinc/30/61/31/604306131.db2.gz FTNDRNSQFACZEP-FZMZJTMJSA-N -1 0 316.354 -0.339 20 0 DBADRM COc1cc2c(nn1)CCN(C(=O)COCCNC(=O)[O-])C2 ZINC000829223789 604308564 /nfs/dbraw/zinc/30/85/64/604308564.db2.gz ANBRUJVTLHMMEQ-UHFFFAOYSA-N -1 0 310.310 -0.346 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)O1 ZINC000825865069 604314107 /nfs/dbraw/zinc/31/41/07/604314107.db2.gz DSQRECPTMKTHJH-MNOVXSKESA-N -1 0 313.354 -0.166 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CCCS2(=O)=O)C[C@H]1C(=O)[O-] ZINC000235351680 604316767 /nfs/dbraw/zinc/31/67/67/604316767.db2.gz OXFPTUNQESJPIZ-OPRDCNLKSA-N -1 0 304.368 -0.074 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000739469377 604323015 /nfs/dbraw/zinc/32/30/15/604323015.db2.gz OUSIRQWMYOMYNO-MXWKQRLJSA-N -1 0 314.338 -0.099 20 0 DBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)CN(C)C(=O)[O-] ZINC000826690692 604323137 /nfs/dbraw/zinc/32/31/37/604323137.db2.gz LORSIRFBZWORMH-UWVGGRQHSA-N -1 0 321.399 -0.228 20 0 DBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000829160192 604323831 /nfs/dbraw/zinc/32/38/31/604323831.db2.gz FSEOMIFRXWHLPK-ZNSHCXBVSA-N -1 0 318.395 -0.117 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000828902313 604332173 /nfs/dbraw/zinc/33/21/73/604332173.db2.gz DORLRFNCBDYEHR-NXEZZACHSA-N -1 0 309.388 -0.765 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC000833118388 604334932 /nfs/dbraw/zinc/33/49/32/604334932.db2.gz JDAPDPBAOBPPPW-VXGBXAGGSA-N -1 0 306.318 -0.003 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC000833118386 604334972 /nfs/dbraw/zinc/33/49/72/604334972.db2.gz JDAPDPBAOBPPPW-NWDGAFQWSA-N -1 0 306.318 -0.003 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC000833118387 604335204 /nfs/dbraw/zinc/33/52/04/604335204.db2.gz JDAPDPBAOBPPPW-RYUDHWBXSA-N -1 0 306.318 -0.003 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)NC2CCN(C(=O)[O-])CC2)O1 ZINC000831174231 604351511 /nfs/dbraw/zinc/35/15/11/604351511.db2.gz RECIICZISOREFO-NXEZZACHSA-N -1 0 314.342 -0.539 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC2CCN(C(=O)[O-])CC2)O1 ZINC000831174233 604351565 /nfs/dbraw/zinc/35/15/65/604351565.db2.gz RECIICZISOREFO-UWVGGRQHSA-N -1 0 314.342 -0.539 20 0 DBADRM CC(C)[C@H](CNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)NC(=O)[O-] ZINC000824117681 604355310 /nfs/dbraw/zinc/35/53/10/604355310.db2.gz QWSYGHMOGVXUJZ-GUBZILKMSA-N -1 0 316.358 -0.389 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000827851750 604356433 /nfs/dbraw/zinc/35/64/33/604356433.db2.gz MFBMARSMLCWYFC-BBBLOLIVSA-N -1 0 314.342 -0.587 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000738542359 604376211 /nfs/dbraw/zinc/37/62/11/604376211.db2.gz PLWYRNBKPPJDCR-VXGBXAGGSA-N -1 0 312.370 -0.545 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)O1 ZINC000831172689 604378128 /nfs/dbraw/zinc/37/81/28/604378128.db2.gz JKLKQGXHCHDSJK-YTWAJWBKSA-N -1 0 313.354 -0.038 20 0 DBADRM CC(C)(CCC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)NC(=O)[O-] ZINC000823890648 604378619 /nfs/dbraw/zinc/37/86/19/604378619.db2.gz XJCNEEKSIKDXSA-DTWKUNHWSA-N -1 0 301.343 -0.038 20 0 DBADRM COCCCS(=O)(=O)NCCN1CC[C@@H](NC(=O)[O-])C1 ZINC000828964563 604380002 /nfs/dbraw/zinc/38/00/02/604380002.db2.gz YQUVIXJDGGPEAD-SNVBAGLBSA-N -1 0 309.388 -0.716 20 0 DBADRM CS(=O)(=O)CCCCOC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000829669674 604380065 /nfs/dbraw/zinc/38/00/65/604380065.db2.gz PPTVOEQAEMTOIW-DTWKUNHWSA-N -1 0 309.340 -0.532 20 0 DBADRM O=C([O-])N[C@@H]1CCN(CC(=O)NCCCN2CCCC2=O)C1 ZINC000740594561 604382045 /nfs/dbraw/zinc/38/20/45/604382045.db2.gz QBMQLTJMJHESMG-LLVKDONJSA-N -1 0 312.370 -0.543 20 0 DBADRM CON(C)C(=O)[C@H](CCSC)NC(=O)[C@@H](C)NC(=O)[O-] ZINC000829054215 604388303 /nfs/dbraw/zinc/38/83/03/604388303.db2.gz AQUMMIWVSCRSEI-SFYZADRCSA-N -1 0 307.372 -0.100 20 0 DBADRM CN1CCN(C(=O)CN2CCSC2=O)[C@H](CNC(=O)[O-])C1 ZINC000828500389 604394921 /nfs/dbraw/zinc/39/49/21/604394921.db2.gz JNHNPNQLUSLLHV-SECBINFHSA-N -1 0 316.383 -0.435 20 0 DBADRM COc1ccc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])nn1 ZINC000829277481 604396589 /nfs/dbraw/zinc/39/65/89/604396589.db2.gz SSTUDQYTFAJOMZ-SECBINFHSA-N -1 0 309.326 -0.491 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000825014949 604398789 /nfs/dbraw/zinc/39/87/89/604398789.db2.gz BVQTYHUSRWTZBV-NXEZZACHSA-N -1 0 321.399 -0.923 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000828506748 604399673 /nfs/dbraw/zinc/39/96/73/604399673.db2.gz KMSKUGIEQBPCAD-SNVBAGLBSA-N -1 0 323.353 -0.852 20 0 DBADRM CCOCCOCC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000827405221 604402256 /nfs/dbraw/zinc/40/22/56/604402256.db2.gz MBULVIGZINEDNW-NSHDSACASA-N -1 0 303.359 -0.550 20 0 DBADRM O=C([O-])CCNC(=O)CCN1C(=O)N[C@@]2(CCSC2)C1=O ZINC000833236331 604402435 /nfs/dbraw/zinc/40/24/35/604402435.db2.gz FPGJNMNLXFJJFY-GFCCVEGCSA-N -1 0 315.351 -0.605 20 0 DBADRM CCN1C[C@H](C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])CC1=O ZINC000827201373 604404029 /nfs/dbraw/zinc/40/40/29/604404029.db2.gz XKFKYSHHKJAVGK-GHMZBOCLSA-N -1 0 312.370 -0.735 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C[C@@H](O)CN1CCOCC1 ZINC000827017303 604404392 /nfs/dbraw/zinc/40/43/92/604404392.db2.gz XJOOTRIYSCUBDG-CHWSQXEVSA-N -1 0 304.387 -0.511 20 0 DBADRM C[C@@H](C(=O)N1CCN(C)C[C@H]1CNC(=O)[O-])c1cnn(C)c1 ZINC000823668030 604405295 /nfs/dbraw/zinc/40/52/95/604405295.db2.gz BFGDSZHKJUBNPN-ZYHUDNBSSA-N -1 0 309.370 -0.066 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)CC(=O)NC(=O)NC1CC1 ZINC000827015542 604405733 /nfs/dbraw/zinc/40/57/33/604405733.db2.gz DXVIEVHPGUHVPE-SNVBAGLBSA-N -1 0 301.343 -0.215 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000828618642 604407257 /nfs/dbraw/zinc/40/72/57/604407257.db2.gz PBMLPSUDVSPYIR-IGJMFERPSA-N -1 0 300.311 -0.489 20 0 DBADRM CN1CCN(C(=O)c2ccc3nnnn3c2)[C@H](CNC(=O)[O-])C1 ZINC000828514085 604408351 /nfs/dbraw/zinc/40/83/51/604408351.db2.gz UGHYLSPJYBYRFS-SNVBAGLBSA-N -1 0 319.325 -0.852 20 0 DBADRM CC1(O)CCN(C(=O)NCCN2CCN(C(=O)[O-])CC2)CC1 ZINC000825760033 604412709 /nfs/dbraw/zinc/41/27/09/604412709.db2.gz HYLXLARYYXMNLH-UHFFFAOYSA-N -1 0 314.386 -0.162 20 0 DBADRM O=C([O-])N1CC(NS(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000740490023 604413076 /nfs/dbraw/zinc/41/30/76/604413076.db2.gz SBZNJJBESIJAFC-UHFFFAOYSA-N -1 0 324.322 -0.697 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NC2CN(C(=O)[O-])C2)cn1C ZINC000739746669 604413646 /nfs/dbraw/zinc/41/36/46/604413646.db2.gz WCJZVQCZGBBLAX-UHFFFAOYSA-N -1 0 316.339 -0.975 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(=O)n(C)c1 ZINC000832891985 604413891 /nfs/dbraw/zinc/41/38/91/604413891.db2.gz PKVMRSVIZRLNGE-SNVBAGLBSA-N -1 0 321.333 -0.045 20 0 DBADRM COC(=O)N1CC(NS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000831198703 604414036 /nfs/dbraw/zinc/41/40/36/604414036.db2.gz PEGLBYNJJHANSK-UHFFFAOYSA-N -1 0 304.280 -0.293 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)[C@@H]1CN(C)CCO1 ZINC000827754197 604418676 /nfs/dbraw/zinc/41/86/76/604418676.db2.gz HOWVQMSCCGLZCD-SCZZXKLOSA-N -1 0 318.351 -0.025 20 0 DBADRM O=C([O-])NC1(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000832151576 604421826 /nfs/dbraw/zinc/42/18/26/604421826.db2.gz NYCSJGPSVGWNKM-UHFFFAOYSA-N -1 0 324.381 -0.447 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H]2OCCN(C)[C@H]2C1)C(=O)[O-] ZINC000828709374 604423691 /nfs/dbraw/zinc/42/36/91/604423691.db2.gz RCUIIPAKXJUXFE-MNXVOIDGSA-N -1 0 313.398 -0.383 20 0 DBADRM COCCNC(=O)C1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000828990563 604425038 /nfs/dbraw/zinc/42/50/38/604425038.db2.gz GCPQMRILQFPVFY-UHFFFAOYSA-N -1 0 313.354 -0.212 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000827475253 604425125 /nfs/dbraw/zinc/42/51/25/604425125.db2.gz HRYCFEKEVFLGSS-UHFFFAOYSA-N -1 0 319.383 -0.283 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)C1(NC(=O)[O-])CC1 ZINC000823779259 604426856 /nfs/dbraw/zinc/42/68/56/604426856.db2.gz YHMIIKMDZFYJQD-UHFFFAOYSA-N -1 0 307.372 -0.379 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)C2(NC(=O)[O-])CC2)C1 ZINC000829686522 604429399 /nfs/dbraw/zinc/42/93/99/604429399.db2.gz BYCKGYGQSXUWHE-QMMMGPOBSA-N -1 0 305.356 -0.673 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)C2(NC(=O)[O-])CC2)C1 ZINC000829688567 604429479 /nfs/dbraw/zinc/42/94/79/604429479.db2.gz SYHXPDPUWJHTBO-SECBINFHSA-N -1 0 319.383 -0.426 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CC1SC(=N)NC1=O ZINC000827002369 604434203 /nfs/dbraw/zinc/43/42/03/604434203.db2.gz XTALFCDUVLMBNN-SFYZADRCSA-N -1 0 317.367 -0.121 20 0 DBADRM COC(=O)c1cn(CN2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)nn1 ZINC000828803632 604436363 /nfs/dbraw/zinc/43/63/63/604436363.db2.gz DAXDSQJAWTXLTE-PSASIEDQSA-N -1 0 313.314 -0.621 20 0 DBADRM CCCOC(=O)[C@H](C)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000829522799 604438533 /nfs/dbraw/zinc/43/85/33/604438533.db2.gz KNEUXALXHRSGAM-VIFPVBQESA-N -1 0 307.368 -0.050 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000826994810 604439604 /nfs/dbraw/zinc/43/96/04/604439604.db2.gz CKRHMHSYAVDTGF-NXEZZACHSA-N -1 0 307.368 -0.242 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CCNS(C)(=O)=O ZINC000827002575 604444206 /nfs/dbraw/zinc/44/42/06/604444206.db2.gz ZQJJLWSVTKCZPS-SECBINFHSA-N -1 0 310.372 -0.738 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000827006263 604447591 /nfs/dbraw/zinc/44/75/91/604447591.db2.gz JUKHYGJWNOHSAB-SECBINFHSA-N -1 0 313.310 -0.715 20 0 DBADRM CNC(=O)c1ccc(N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)nn1 ZINC000828560412 604454203 /nfs/dbraw/zinc/45/42/03/604454203.db2.gz CJQONGBLXVSXBL-PSASIEDQSA-N -1 0 309.326 -0.303 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(c2cncc(-n3cncn3)n2)CCO1 ZINC000825373160 604454408 /nfs/dbraw/zinc/45/44/08/604454408.db2.gz VPOBIRKAKDUHNK-VHSXEESVSA-N -1 0 319.325 -0.081 20 0 DBADRM Cn1ccnc1CN1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000831035760 604464317 /nfs/dbraw/zinc/46/43/17/604464317.db2.gz BUPJBKTWQKTKCK-UHFFFAOYSA-N -1 0 307.354 -0.136 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000740587229 604470541 /nfs/dbraw/zinc/47/05/41/604470541.db2.gz KLTJNTICBNXMEL-SECBINFHSA-N -1 0 324.337 -0.281 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)NCC(=O)NC2CC2)c1 ZINC000833108698 604472071 /nfs/dbraw/zinc/47/20/71/604472071.db2.gz RLCJVXBNJYHFPC-UHFFFAOYSA-N -1 0 311.319 -0.220 20 0 DBADRM Cn1ccc(N2CCC[C@@H](NC(=O)C3(NC(=O)[O-])CC3)C2=O)n1 ZINC000831022275 604475891 /nfs/dbraw/zinc/47/58/91/604475891.db2.gz DLRLPBTXPGBSOX-SECBINFHSA-N -1 0 321.337 -0.168 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C2(NC(=O)[O-])CC2)C(=O)N1c1cnn(C)c1 ZINC000825788468 604476902 /nfs/dbraw/zinc/47/69/02/604476902.db2.gz HNBJMAKBBLVTLE-WCBMZHEXSA-N -1 0 321.337 -0.170 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@@H](NC(=O)[O-])C2)C1=O ZINC000739074118 604478633 /nfs/dbraw/zinc/47/86/33/604478633.db2.gz IYPAIKSFHSEQEJ-OTYXRUKQSA-N -1 0 324.337 -0.425 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)C1(NC(=O)[O-])CC1 ZINC000828313539 604479157 /nfs/dbraw/zinc/47/91/57/604479157.db2.gz ZPHCDJGSZUEYJK-UHFFFAOYSA-N -1 0 305.356 -0.720 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000739983639 604482137 /nfs/dbraw/zinc/48/21/37/604482137.db2.gz CBOBLAAPDJPIJG-SNVBAGLBSA-N -1 0 319.383 -0.474 20 0 DBADRM CCOCCS(=O)(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827405397 604489897 /nfs/dbraw/zinc/48/98/97/604489897.db2.gz OUTPNYZRDRJHMI-VHSXEESVSA-N -1 0 310.372 -0.290 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)N(C)C2CC2)CCO1 ZINC000825360731 604490716 /nfs/dbraw/zinc/49/07/16/604490716.db2.gz QDABCBMGJGRQSO-WPRPVWTQSA-N -1 0 307.372 -0.318 20 0 DBADRM CCN(CC)S(=O)(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827045007 604491537 /nfs/dbraw/zinc/49/15/37/604491537.db2.gz FMPNDFUJHKHBJV-VHSXEESVSA-N -1 0 309.388 -0.070 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C1CCOCC1 ZINC000829979147 604495808 /nfs/dbraw/zinc/49/58/08/604495808.db2.gz YWMKUUHYEFPMMS-LLVKDONJSA-N -1 0 324.399 -0.237 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)c2cnn(C)c2)CCO1 ZINC000825371633 604495998 /nfs/dbraw/zinc/49/59/98/604495998.db2.gz HCCMTXOYRYFHMD-WCBMZHEXSA-N -1 0 318.355 -0.534 20 0 DBADRM C[C@H]1N(C(=O)CN2CCN(C(=O)[O-])CC2=O)CCOC1(C)C ZINC000826101723 604496068 /nfs/dbraw/zinc/49/60/68/604496068.db2.gz PLNJVACRTCJLHN-SNVBAGLBSA-N -1 0 313.354 -0.166 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000829984271 604498029 /nfs/dbraw/zinc/49/80/29/604498029.db2.gz JJDWADBNUWNQKH-RKDXNWHRSA-N -1 0 311.356 -0.453 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000829978444 604498492 /nfs/dbraw/zinc/49/84/92/604498492.db2.gz ISLWNZYHQQRMQC-AXFHLTTASA-N -1 0 324.399 -0.238 20 0 DBADRM C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)OC(C)(C)C ZINC000707181416 604499822 /nfs/dbraw/zinc/49/98/22/604499822.db2.gz MEXIOVKIQQOMJH-QMMMGPOBSA-N -1 0 310.372 -0.043 20 0 DBADRM CNC(=O)[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(C)C ZINC000830978483 604506145 /nfs/dbraw/zinc/50/61/45/604506145.db2.gz CIRMTTSEPXJKIB-SECBINFHSA-N -1 0 303.340 -0.238 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000830948289 604507413 /nfs/dbraw/zinc/50/74/13/604507413.db2.gz ISOPPUKDEKKZHB-SSDOTTSWSA-N -1 0 317.323 -0.282 20 0 DBADRM CCNS(=O)(=O)c1ccc(CNC(=O)CNC(=O)[O-])cc1 ZINC000827264804 604511774 /nfs/dbraw/zinc/51/17/74/604511774.db2.gz DIEXATRHMCYUGM-UHFFFAOYSA-N -1 0 315.351 -0.131 20 0 DBADRM Cc1nc(C)n(C[C@@H]2CN(C(=O)C3(NC(=O)[O-])CC3)CCO2)n1 ZINC000830733985 604514159 /nfs/dbraw/zinc/51/41/59/604514159.db2.gz JUDIOEMTSORMAH-NSHDSACASA-N -1 0 323.353 -0.077 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000832670215 604523333 /nfs/dbraw/zinc/52/33/33/604523333.db2.gz DWYPKRUWJBCMIL-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)C3(NC(=O)[O-])CC3)CCN2C1=O ZINC000827201802 604528399 /nfs/dbraw/zinc/52/83/99/604528399.db2.gz ZKBDHDFHEVSDSF-MRVPVSSYSA-N -1 0 310.310 -0.719 20 0 DBADRM CC(C)NC(=O)CNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000824367601 604529027 /nfs/dbraw/zinc/52/90/27/604529027.db2.gz GHIDBKWGHZJGJQ-NXEZZACHSA-N -1 0 316.358 -0.423 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCC(=O)N(C)C)CCO1 ZINC000825309749 604530050 /nfs/dbraw/zinc/53/00/50/604530050.db2.gz LNZUAJRWYVEMSM-BDAKNGLRSA-N -1 0 302.331 -0.859 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)N2CCCNC(=O)C2)c1 ZINC000833359426 604536302 /nfs/dbraw/zinc/53/63/02/604536302.db2.gz YZWDEBWPXQLJPS-UHFFFAOYSA-N -1 0 311.319 -0.267 20 0 DBADRM O=C([O-])N1CCN(C(=O)NCCS(=O)(=O)CC2CC2)CC1 ZINC000832025403 604539396 /nfs/dbraw/zinc/53/93/96/604539396.db2.gz YKEISHOLMZGEKK-UHFFFAOYSA-N -1 0 319.383 -0.184 20 0 DBADRM COCc1nc2n(n1)CCC[C@H]2NC(=O)NCCNC(=O)[O-] ZINC000829056404 604545246 /nfs/dbraw/zinc/54/52/46/604545246.db2.gz WNHZQSORRRNLQV-MRVPVSSYSA-N -1 0 312.330 -0.174 20 0 DBADRM C[C@@H]1CN(c2ncnc(N3C[C@H](O)[C@@H](C)C3)c2C(=O)[O-])C[C@H]1O ZINC000833633561 604546791 /nfs/dbraw/zinc/54/67/91/604546791.db2.gz BNCUMMDMVJCZLI-DTIDVZRVSA-N -1 0 322.365 -0.191 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CC1=O ZINC000830913780 604548718 /nfs/dbraw/zinc/54/87/18/604548718.db2.gz WDIDVIPRHCHZGK-ZETCQYMHSA-N -1 0 311.319 -0.268 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)N2CCO[C@H](CO)C2)c1 ZINC000833150466 604551137 /nfs/dbraw/zinc/55/11/37/604551137.db2.gz GFVBOPXELNRNQX-QMMMGPOBSA-N -1 0 314.319 -0.396 20 0 DBADRM CN(C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CCO1)c1cccnn1 ZINC000830722421 604552096 /nfs/dbraw/zinc/55/20/96/604552096.db2.gz AWRSRHKWMHCRLR-GRYCIOLGSA-N -1 0 320.349 -0.139 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCn2cncn2)CCO1 ZINC000825317347 604554745 /nfs/dbraw/zinc/55/47/45/604554745.db2.gz FFCHALJKRIJWSX-VHSXEESVSA-N -1 0 312.330 -0.655 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCc2nccn2C)CCO1 ZINC000825317233 604554766 /nfs/dbraw/zinc/55/47/66/604554766.db2.gz CVEJZWUQPYXMGH-NXEZZACHSA-N -1 0 311.342 -0.013 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCn2cncn2)CCO1 ZINC000825317348 604554824 /nfs/dbraw/zinc/55/48/24/604554824.db2.gz FFCHALJKRIJWSX-ZJUUUORDSA-N -1 0 312.330 -0.655 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CCCNC(=O)c1cccnc1 ZINC000833138082 604556247 /nfs/dbraw/zinc/55/62/47/604556247.db2.gz GFJXFTWJFBFDLI-LBPRGKRZSA-N -1 0 321.333 -0.096 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000261896131 604556603 /nfs/dbraw/zinc/55/66/03/604556603.db2.gz WARFVUGKELETPX-JTQLQIEISA-N -1 0 322.383 -0.735 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCn2cccn2)CCO1 ZINC000825317701 604561195 /nfs/dbraw/zinc/56/11/95/604561195.db2.gz JBRHULDEWMQDDU-MNOVXSKESA-N -1 0 311.342 -0.050 20 0 DBADRM CC(C)(CNC(=O)NC1CN(C(=O)[O-])C1)N1CCOCC1 ZINC000823930477 604564594 /nfs/dbraw/zinc/56/45/94/604564594.db2.gz FTPIRRJRPDTIMG-UHFFFAOYSA-N -1 0 300.359 -0.241 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)cn1 ZINC000739907387 604569895 /nfs/dbraw/zinc/56/98/95/604569895.db2.gz BGTWQGIWMMGKER-SECBINFHSA-N -1 0 308.294 -0.103 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CCC[C@@H]1CC(=O)[O-])c2=O ZINC000833062267 604573316 /nfs/dbraw/zinc/57/33/16/604573316.db2.gz MAJJBIFQNCQEMH-SECBINFHSA-N -1 0 319.321 -0.404 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)NCCN(C)C(=O)[O-])C1 ZINC000827248841 604578406 /nfs/dbraw/zinc/57/84/06/604578406.db2.gz GPWLAKDRWBOHDV-SECBINFHSA-N -1 0 301.347 -0.301 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)NCCN(C)C(=O)[O-])C1 ZINC000827248842 604578536 /nfs/dbraw/zinc/57/85/36/604578536.db2.gz GPWLAKDRWBOHDV-VIFPVBQESA-N -1 0 301.347 -0.301 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)NCCCNC(=O)[O-])C1 ZINC000827250194 604578596 /nfs/dbraw/zinc/57/85/96/604578596.db2.gz RGBYIPSFYHUNPX-VIFPVBQESA-N -1 0 301.347 -0.253 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000827243203 604587111 /nfs/dbraw/zinc/58/71/11/604587111.db2.gz WOGMOGYIVFXQNH-GUBZILKMSA-N -1 0 314.342 -0.980 20 0 DBADRM C[C@H](CNC(=O)N1CC[C@@H](NC(=O)[O-])C1)N1CCOCC1 ZINC000738914268 604588579 /nfs/dbraw/zinc/58/85/79/604588579.db2.gz BRJLDTQACCXZAR-GHMZBOCLSA-N -1 0 300.359 -0.241 20 0 DBADRM CC[C@@H](NC(=O)NC1CN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000826607692 604596059 /nfs/dbraw/zinc/59/60/59/604596059.db2.gz NDQKOCDSZVZENA-SNVBAGLBSA-N -1 0 314.342 -0.715 20 0 DBADRM C[C@@H](O)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000833739094 604597083 /nfs/dbraw/zinc/59/70/83/604597083.db2.gz FZZKKTIIAQWQAN-KCJUWKMLSA-N -1 0 308.290 -0.638 20 0 DBADRM CCCNC(=O)NC(=O)CN1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826925341 604598963 /nfs/dbraw/zinc/59/89/63/604598963.db2.gz FNNZGBWHQPYWDV-ZJUUUORDSA-N -1 0 316.358 -0.421 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CCCC(=O)NC(N)=O)CCO1 ZINC000825349305 604600411 /nfs/dbraw/zinc/60/04/11/604600411.db2.gz AUXNXMHYAXVUIS-RKDXNWHRSA-N -1 0 302.331 -0.682 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828684611 604609196 /nfs/dbraw/zinc/60/91/96/604609196.db2.gz YNNPVGAPLCDHRQ-KXUCPTDWSA-N -1 0 317.342 -0.979 20 0 DBADRM Cn1cc(N2CCN(C(=O)NC3CN(C(=O)[O-])C3)CC2=O)cn1 ZINC000831008896 604609937 /nfs/dbraw/zinc/60/99/37/604609937.db2.gz FKKZEYHXSDWJSA-UHFFFAOYSA-N -1 0 322.325 -0.860 20 0 DBADRM O=C([O-])N1CC(NC(=O)N2CCO[C@@H](Cn3cncn3)C2)C1 ZINC000831846341 604612372 /nfs/dbraw/zinc/61/23/72/604612372.db2.gz AJAFHPOBFYUKIS-SNVBAGLBSA-N -1 0 310.314 -0.949 20 0 DBADRM O=C([O-])N1CC(NC(=O)N2CCC(N3CCNC3=O)CC2)C1 ZINC000831847703 604612629 /nfs/dbraw/zinc/61/26/29/604612629.db2.gz VRWZAPNMPICVQH-UHFFFAOYSA-N -1 0 311.342 -0.452 20 0 DBADRM O=C([O-])N1CC(NC(=O)N2CCO[C@H](Cn3cncn3)C2)C1 ZINC000831846340 604612694 /nfs/dbraw/zinc/61/26/94/604612694.db2.gz AJAFHPOBFYUKIS-JTQLQIEISA-N -1 0 310.314 -0.949 20 0 DBADRM C[C@@H]1CN(C(=O)NC2CN(C(=O)[O-])C2)C[C@H]1N1CCOCC1 ZINC000825995355 604613406 /nfs/dbraw/zinc/61/34/06/604613406.db2.gz GQZIKQSJSAXOLP-ZYHUDNBSSA-N -1 0 312.370 -0.289 20 0 DBADRM C[C@H]([C@H](C)N(C)C(=O)NC1CN(C(=O)[O-])C1)S(C)(=O)=O ZINC000823737283 604616833 /nfs/dbraw/zinc/61/68/33/604616833.db2.gz GHANDKKOPQJHHW-JGVFFNPUSA-N -1 0 307.372 -0.188 20 0 DBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC1CN(C(=O)[O-])C1 ZINC000823737356 604617020 /nfs/dbraw/zinc/61/70/20/604617020.db2.gz GHANDKKOPQJHHW-YUMQZZPRSA-N -1 0 307.372 -0.188 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828552129 604618382 /nfs/dbraw/zinc/61/83/82/604618382.db2.gz MPYXKQPIBRPFDC-XHNCKOQMSA-N -1 0 302.331 -0.813 20 0 DBADRM COCCCNC(=O)[C@H](C)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828950215 604621153 /nfs/dbraw/zinc/62/11/53/604621153.db2.gz FOKWSZOOTYFTAR-GRYCIOLGSA-N -1 0 317.386 -0.116 20 0 DBADRM COCCCNC(=O)[C@H](C)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828950220 604622866 /nfs/dbraw/zinc/62/28/66/604622866.db2.gz FOKWSZOOTYFTAR-WOPDTQHZSA-N -1 0 317.386 -0.116 20 0 DBADRM COC(=O)CCNC(=O)CN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828675855 604622948 /nfs/dbraw/zinc/62/29/48/604622948.db2.gz RGYYYSFFNOENBS-VHSXEESVSA-N -1 0 317.342 -0.977 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC000818028849 604624748 /nfs/dbraw/zinc/62/47/48/604624748.db2.gz CYWNVCUIHLJCKA-DCAQKATOSA-N -1 0 301.343 -0.800 20 0 DBADRM Cc1cc(N2CCN(C)C[C@@H]2CNC(=O)[O-])n2ncnc2n1 ZINC000830085686 604632497 /nfs/dbraw/zinc/63/24/97/604632497.db2.gz UCHACOYYJDYBQT-JTQLQIEISA-N -1 0 305.342 -0.179 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CC(=O)NC[C@H]2CCCO2)CCO1 ZINC000825343947 604636619 /nfs/dbraw/zinc/63/66/19/604636619.db2.gz LQRZPNXBXUEBCF-QJPTWQEYSA-N -1 0 315.370 -0.362 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCCCN1CCCC1=O ZINC000831380581 604639334 /nfs/dbraw/zinc/63/93/34/604639334.db2.gz FOAJZNXVMXXBRM-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCCN1CCOCC1 ZINC000831381569 604643119 /nfs/dbraw/zinc/64/31/19/604643119.db2.gz MEVAXEPVBJYIFY-LLVKDONJSA-N -1 0 301.343 -0.796 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)CC(C)(CO)CO ZINC000830665603 604646196 /nfs/dbraw/zinc/64/61/96/604646196.db2.gz DTCPUSGZNBKRET-UHFFFAOYSA-N -1 0 302.371 -0.768 20 0 DBADRM CN(C)C(=O)C1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827952774 604652692 /nfs/dbraw/zinc/65/26/92/604652692.db2.gz APICGQLKNPKMCO-NSHDSACASA-N -1 0 313.354 -0.308 20 0 DBADRM CC(=O)N1CCC(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823550317 604655836 /nfs/dbraw/zinc/65/58/36/604655836.db2.gz PJSXKLGVPWQYLR-LBPRGKRZSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])NC1(C(=O)OCCn2nc3ccccn3c2=O)CC1 ZINC000832189524 604657105 /nfs/dbraw/zinc/65/71/05/604657105.db2.gz ZOHLJMNELJZNBY-UHFFFAOYSA-N -1 0 306.278 -0.161 20 0 DBADRM CCNC(=O)N1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827251334 604663988 /nfs/dbraw/zinc/66/39/88/604663988.db2.gz YJHABOBZRQVAHN-JTQLQIEISA-N -1 0 314.342 -0.761 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CCN2CCOCC2)CCO1 ZINC000825302926 604665550 /nfs/dbraw/zinc/66/55/50/604665550.db2.gz TZENGKODKMFXHW-VXGBXAGGSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)CCO1 ZINC000825294886 604672719 /nfs/dbraw/zinc/67/27/19/604672719.db2.gz PNWNWYCSSNCZOR-DCAQKATOSA-N -1 0 313.354 -0.262 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CCN(C)C(=O)C1)c1cn(CC(=O)[O-])nn1 ZINC000827828198 604673098 /nfs/dbraw/zinc/67/30/98/604673098.db2.gz XISHPRHDEKDFMG-RKDXNWHRSA-N -1 0 310.310 -0.165 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCO1 ZINC000825335018 604673532 /nfs/dbraw/zinc/67/35/32/604673532.db2.gz LPLVKCPHACLLSY-KCJUWKMLSA-N -1 0 322.321 -0.322 20 0 DBADRM CCCC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826705483 604674600 /nfs/dbraw/zinc/67/46/00/604674600.db2.gz ANOMYGUXNUTSNT-ZJUUUORDSA-N -1 0 301.343 -0.214 20 0 DBADRM NC(=O)[C@@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1ccccc1 ZINC000831167896 604674798 /nfs/dbraw/zinc/67/47/98/604674798.db2.gz SEOCVVNCDKZJCJ-QWRGUYRKSA-N -1 0 307.306 -0.292 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)CCO1 ZINC000825295922 604675390 /nfs/dbraw/zinc/67/53/90/604675390.db2.gz YAYNNAPJIUAZLN-CIUDSAMLSA-N -1 0 308.356 -0.697 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828426441 604681617 /nfs/dbraw/zinc/68/16/17/604681617.db2.gz FTWOQTJIHRDQGY-SECBINFHSA-N -1 0 309.326 -0.439 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)C1 ZINC000827228324 604681695 /nfs/dbraw/zinc/68/16/95/604681695.db2.gz NEAWWKXIYNKFFL-SRVKXCTJSA-N -1 0 315.370 -0.409 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)C1 ZINC000827228326 604681927 /nfs/dbraw/zinc/68/19/27/604681927.db2.gz NEAWWKXIYNKFFL-UTUOFQBUSA-N -1 0 315.370 -0.409 20 0 DBADRM C[C@H](OC(=O)c1ccc(=O)n(C)c1)c1cn(CC(=O)[O-])nn1 ZINC000827853827 604687554 /nfs/dbraw/zinc/68/75/54/604687554.db2.gz NWQOMMDTQXOUMW-QMMMGPOBSA-N -1 0 306.278 -0.021 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)Nc2ccc(-n3cncn3)nc2)C1 ZINC000831756705 604688499 /nfs/dbraw/zinc/68/84/99/604688499.db2.gz GPMYXTZYXPWHBW-JTQLQIEISA-N -1 0 318.293 -0.020 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)CCO1 ZINC000825327555 604688938 /nfs/dbraw/zinc/68/89/38/604688938.db2.gz RDUFBDLRJINLEF-KWQFWETISA-N -1 0 324.337 -0.379 20 0 DBADRM C[C@@H](OC(=O)c1cccn(C)c1=O)c1cn(CC(=O)[O-])nn1 ZINC000827866920 604693363 /nfs/dbraw/zinc/69/33/63/604693363.db2.gz JZPVAFQGZOTWCY-MRVPVSSYSA-N -1 0 306.278 -0.021 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCO1 ZINC000825295023 604695155 /nfs/dbraw/zinc/69/51/55/604695155.db2.gz QWXZGAHCIUZQPY-GARJFASQSA-N -1 0 301.343 -0.800 20 0 DBADRM COC(=O)NCCC(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1 ZINC000831206708 604696480 /nfs/dbraw/zinc/69/64/80/604696480.db2.gz MYEYDXIZDLZVKY-SSDOTTSWSA-N -1 0 300.271 -0.287 20 0 DBADRM COCCOCCC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000829002223 604697223 /nfs/dbraw/zinc/69/72/23/604697223.db2.gz ORXFBBMGSUXUFW-QWRGUYRKSA-N -1 0 304.343 -0.077 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)c2n[nH]c3c2CCC3)nn1 ZINC000833272431 604697512 /nfs/dbraw/zinc/69/75/12/604697512.db2.gz YVDLXURQLMOPIS-UHFFFAOYSA-N -1 0 305.294 -0.026 20 0 DBADRM COC(=O)N(C)CC(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000831198317 604697738 /nfs/dbraw/zinc/69/77/38/604697738.db2.gz GJOUDBLAQSRJLD-UHFFFAOYSA-N -1 0 300.271 -0.853 20 0 DBADRM NC(=O)c1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)s1 ZINC000833084686 604698499 /nfs/dbraw/zinc/69/84/99/604698499.db2.gz XAXYWOAEEVWGDH-UHFFFAOYSA-N -1 0 324.318 -0.077 20 0 DBADRM CN(C)C(=O)COc1ccccc1C(=O)N[C@@H](CO)C(=O)[O-] ZINC000830557305 604699806 /nfs/dbraw/zinc/69/98/06/604699806.db2.gz UETASUOJLNLQQF-JTQLQIEISA-N -1 0 310.306 -0.671 20 0 DBADRM C[C@H](C(=O)OCCc1cn(CC(=O)[O-])nn1)c1cnn(C)c1 ZINC000826064541 604700506 /nfs/dbraw/zinc/70/05/06/604700506.db2.gz LYCUOVFEVOGYGB-VIFPVBQESA-N -1 0 307.310 -0.014 20 0 DBADRM Cn1cc(/C=C\C(=O)OCCc2cn(CC(=O)[O-])nn2)cn1 ZINC000833044372 604706260 /nfs/dbraw/zinc/70/62/60/604706260.db2.gz XEYAWVQLUKZTIL-IHWYPQMZSA-N -1 0 305.294 -0.105 20 0 DBADRM Cn1cc(/C=C/C(=O)OCCc2cn(CC(=O)[O-])nn2)cn1 ZINC000833044373 604706290 /nfs/dbraw/zinc/70/62/90/604706290.db2.gz XEYAWVQLUKZTIL-NSCUHMNNSA-N -1 0 305.294 -0.105 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCO1 ZINC000825326203 604708665 /nfs/dbraw/zinc/70/86/65/604708665.db2.gz NTVTWWVXGQVTHO-UTLUCORTSA-N -1 0 314.342 -0.587 20 0 DBADRM C/C(=C/COC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000833383599 604709311 /nfs/dbraw/zinc/70/93/11/604709311.db2.gz NGJLSRIRGMGFRN-DAXSKMNVSA-N -1 0 300.292 -0.083 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NC2CCS(=O)(=O)CC2)C1 ZINC000831603482 604710557 /nfs/dbraw/zinc/71/05/57/604710557.db2.gz CDTXPHSZVNIBCY-SECBINFHSA-N -1 0 306.340 -0.941 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000824908047 604711585 /nfs/dbraw/zinc/71/15/85/604711585.db2.gz PZDTXTOKMPIYHY-WDEREUQCSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN2CCCCC2=O)CCO1 ZINC000825303449 604712736 /nfs/dbraw/zinc/71/27/36/604712736.db2.gz VZUZXVISAMIWCI-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM CN([C@H]1CCNC1=O)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833691200 604713684 /nfs/dbraw/zinc/71/36/84/604713684.db2.gz LCWSIZLQQOJBQT-LURJTMIESA-N -1 0 304.349 -0.045 20 0 DBADRM CN([C@@H]1CCNC1=O)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000833692478 604714176 /nfs/dbraw/zinc/71/41/76/604714176.db2.gz XGDXLMZGJAGYPA-SSDOTTSWSA-N -1 0 304.349 -0.045 20 0 DBADRM CN([C@H]1CCNC1=O)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000833692574 604714501 /nfs/dbraw/zinc/71/45/01/604714501.db2.gz ZGIWKFNYKRXVEA-ZETCQYMHSA-N -1 0 304.349 -0.045 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCc1nnc2n1CCCC2 ZINC000831387252 604719239 /nfs/dbraw/zinc/71/92/39/604719239.db2.gz FGUIXPUKPXBROJ-SNVBAGLBSA-N -1 0 323.353 -0.001 20 0 DBADRM CN(C(=O)CN1CCOC[C@@H]1C(N)=O)c1ccccc1C(=O)[O-] ZINC000833685097 604723642 /nfs/dbraw/zinc/72/36/42/604723642.db2.gz AKRAVTJXNAENNU-GFCCVEGCSA-N -1 0 321.333 -0.466 20 0 DBADRM COC(=O)c1cc(CN2CCOC[C@H]2C(N)=O)cc(C(=O)[O-])c1 ZINC000833712254 604723811 /nfs/dbraw/zinc/72/38/11/604723811.db2.gz COQGLEDGHJLRNL-LBPRGKRZSA-N -1 0 322.317 -0.143 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CCO1 ZINC000825324469 604726699 /nfs/dbraw/zinc/72/66/99/604726699.db2.gz AUKPQCURIQTHSM-XCBNKYQSSA-N -1 0 310.310 -0.389 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000829937975 604729987 /nfs/dbraw/zinc/72/99/87/604729987.db2.gz BDQBRLJWGMEMPT-GXSJLCMTSA-N -1 0 324.337 -0.289 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000829972778 604730265 /nfs/dbraw/zinc/73/02/65/604730265.db2.gz KFYKSSYMUFXRIK-ZETCQYMHSA-N -1 0 320.323 -0.511 20 0 DBADRM CCN1C[C@H](C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)CC1=O ZINC000827198689 604730379 /nfs/dbraw/zinc/73/03/79/604730379.db2.gz JWGKYGZGEACOBI-AXFHLTTASA-N -1 0 313.354 -0.262 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000829937977 604730387 /nfs/dbraw/zinc/73/03/87/604730387.db2.gz BDQBRLJWGMEMPT-KOLCDFICSA-N -1 0 324.337 -0.289 20 0 DBADRM COC(=O)N1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828704124 604731253 /nfs/dbraw/zinc/73/12/53/604731253.db2.gz IEDPHLWFIJKWEG-SNVBAGLBSA-N -1 0 315.326 -0.334 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)C(=O)Nc2cccnc2)CCO1 ZINC000825295367 604743907 /nfs/dbraw/zinc/74/39/07/604743907.db2.gz UBRSJUXITQAKIF-MWLCHTKSSA-N -1 0 322.321 -0.096 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000833747119 604748345 /nfs/dbraw/zinc/74/83/45/604748345.db2.gz RMPBOLYCODFJRC-UHFFFAOYSA-N -1 0 310.306 -0.700 20 0 DBADRM CN(C)C(=O)CCCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000827954539 604749393 /nfs/dbraw/zinc/74/93/93/604749393.db2.gz WGYMYICPQPXOAU-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000739514918 604749846 /nfs/dbraw/zinc/74/98/46/604749846.db2.gz BPMWHFAZDLWQDR-SECBINFHSA-N -1 0 319.383 -0.474 20 0 DBADRM O=C(CCCS(=O)(=O)N1CCCC1)NC1CN(C(=O)[O-])C1 ZINC000740356190 604750519 /nfs/dbraw/zinc/75/05/19/604750519.db2.gz WNJFYHLNENWLPA-UHFFFAOYSA-N -1 0 319.383 -0.329 20 0 DBADRM COC(=O)N1CCC(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828705094 604753203 /nfs/dbraw/zinc/75/32/03/604753203.db2.gz QTKOTBGZIBHGIC-JTQLQIEISA-N -1 0 315.326 -0.288 20 0 DBADRM CN(CC(=O)NC1CN(C(=O)[O-])C1)c1ncnc2nc[nH]c21 ZINC000739624560 604755192 /nfs/dbraw/zinc/75/51/92/604755192.db2.gz QPYRIWHOCAJWSU-UHFFFAOYSA-N -1 0 305.298 -0.733 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NC2CN(C(=O)[O-])C2)c(C)o1 ZINC000828578867 604755735 /nfs/dbraw/zinc/75/57/35/604755735.db2.gz FPNVOCMPBCCNTJ-UHFFFAOYSA-N -1 0 317.323 -0.412 20 0 DBADRM Cn1ncc2c1nc(COC(=O)C1(NC(=O)[O-])CC1)[nH]c2=O ZINC000831055150 604755797 /nfs/dbraw/zinc/75/57/97/604755797.db2.gz PITJVYQGMZXBOX-UHFFFAOYSA-N -1 0 307.266 -0.088 20 0 DBADRM CC(=O)N(C)C1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823537078 604756468 /nfs/dbraw/zinc/75/64/68/604756468.db2.gz DLHRBHMNGWCUTA-GFCCVEGCSA-N -1 0 313.354 -0.166 20 0 DBADRM CC(C)n1ncc2c1ncn(CC(=O)NCCC(=O)[O-])c2=O ZINC000827201311 604759188 /nfs/dbraw/zinc/75/91/88/604759188.db2.gz RFHXBFQKNOYVHV-UHFFFAOYSA-N -1 0 307.310 -0.235 20 0 DBADRM CCCN(C)S(=O)(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000826892524 604761933 /nfs/dbraw/zinc/76/19/33/604761933.db2.gz INBCMFFGMWCDMW-UHFFFAOYSA-N -1 0 322.431 -0.152 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC2CN(C(=O)[O-])C2)C1=O ZINC000739072196 604766960 /nfs/dbraw/zinc/76/69/60/604766960.db2.gz BCPHBIFWUKVCSL-ZDUSSCGKSA-N -1 0 310.310 -0.815 20 0 DBADRM O=C([O-])N1CC(NC(=O)CNC(=O)Cc2cccc(F)c2)C1 ZINC000740384010 604767781 /nfs/dbraw/zinc/76/77/81/604767781.db2.gz GJSZNJKTMJWGRM-UHFFFAOYSA-N -1 0 309.297 -0.037 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCS(C)(=O)=O)CCO1 ZINC000825301336 604772474 /nfs/dbraw/zinc/77/24/74/604772474.db2.gz IRIHHYDLYAEEAX-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM O=C([O-])N1CC(NC(=O)Cn2c(=O)cnc3ccccc32)C1 ZINC000740388934 604776676 /nfs/dbraw/zinc/77/66/76/604776676.db2.gz XYZKKGJDCUSDDX-UHFFFAOYSA-N -1 0 302.290 -0.125 20 0 DBADRM CC(=O)NC[C@H]1CCCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823574961 604779788 /nfs/dbraw/zinc/77/97/88/604779788.db2.gz LCDLHPPWZKIEKC-VXGBXAGGSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000833423550 604785638 /nfs/dbraw/zinc/78/56/38/604785638.db2.gz NMYZTKFYVFODHU-VIFPVBQESA-N -1 0 315.351 -0.042 20 0 DBADRM O=C(CNC(=O)[C@H]1CN(C(=O)[O-])CCO1)NC1CCCCC1 ZINC000831488549 604787811 /nfs/dbraw/zinc/78/78/11/604787811.db2.gz HHGNBHVYULGUBY-LLVKDONJSA-N -1 0 313.354 -0.070 20 0 DBADRM O=C(CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NC1CCCCC1 ZINC000831488550 604788142 /nfs/dbraw/zinc/78/81/42/604788142.db2.gz HHGNBHVYULGUBY-NSHDSACASA-N -1 0 313.354 -0.070 20 0 DBADRM C[C@H](OC(=O)CN(C)C(=O)C1CC1)c1cn(CC(=O)[O-])nn1 ZINC000833528885 604788857 /nfs/dbraw/zinc/78/88/57/604788857.db2.gz MBABYMNFPVKXGY-QMMMGPOBSA-N -1 0 310.310 -0.165 20 0 DBADRM C[C@](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)(C(N)=O)c1ccccc1 ZINC000825094322 604795225 /nfs/dbraw/zinc/79/52/25/604795225.db2.gz RFWRSKVVIAKSDD-XHDPSFHLSA-N -1 0 321.333 -0.118 20 0 DBADRM C[C@@H]1[C@H](C)N(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CCN1C ZINC000833586511 604802999 /nfs/dbraw/zinc/80/29/99/604802999.db2.gz GEZIDXDTAQJOMA-ZJUUUORDSA-N -1 0 316.383 -0.319 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000827249160 604806974 /nfs/dbraw/zinc/80/69/74/604806974.db2.gz IXTMYHNGKQMVMK-ZJUUUORDSA-N -1 0 313.358 -0.158 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCC(=O)Nc2cccnc2)C1 ZINC000831489513 604809309 /nfs/dbraw/zinc/80/93/09/604809309.db2.gz TWRYQANKOXPRKO-JTQLQIEISA-N -1 0 308.294 -0.485 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC(C3OCCO3)CC2)C1 ZINC000832051029 604809515 /nfs/dbraw/zinc/80/95/15/604809515.db2.gz SOPXYQPWJBEAFK-NSHDSACASA-N -1 0 314.338 -0.023 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828704315 604812285 /nfs/dbraw/zinc/81/22/85/604812285.db2.gz JYJXLKOELPASIF-UWVGGRQHSA-N -1 0 315.326 -0.288 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)c1coc(S(N)(=O)=O)c1 ZINC000833721316 604812621 /nfs/dbraw/zinc/81/26/21/604812621.db2.gz AMZVKXLYWLAWLK-NSHDSACASA-N -1 0 320.323 -0.463 20 0 DBADRM NC(=O)N1CCCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831200163 604812680 /nfs/dbraw/zinc/81/26/80/604812680.db2.gz USNXTPVAEDOSSI-SNVBAGLBSA-N -1 0 314.342 -0.632 20 0 DBADRM CN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)[C@H]1CCCCNC1=O ZINC000827750827 604814211 /nfs/dbraw/zinc/81/42/11/604814211.db2.gz BERDMWVEUMUBFX-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM NC(=O)c1cccc(CCNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831233447 604814820 /nfs/dbraw/zinc/81/48/20/604814820.db2.gz DQKSQHRWYHEHBU-LBPRGKRZSA-N -1 0 321.333 -0.177 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000825176767 604816438 /nfs/dbraw/zinc/81/64/38/604816438.db2.gz BKLIGSMROSCAKX-NEPJUHHUSA-N -1 0 315.370 -0.408 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000830800218 604816518 /nfs/dbraw/zinc/81/65/18/604816518.db2.gz WCCZFDGAQQGZGG-UWVGGRQHSA-N -1 0 309.326 -0.604 20 0 DBADRM COC(=O)[C@H]1CCCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828630224 604818198 /nfs/dbraw/zinc/81/81/98/604818198.db2.gz CFXCTNRAMMRHLS-VHSXEESVSA-N -1 0 300.311 -0.223 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)n1 ZINC000828700830 604821951 /nfs/dbraw/zinc/82/19/51/604821951.db2.gz ZTKNVJAKRCUXDF-MRVPVSSYSA-N -1 0 312.282 -0.627 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCCCN1CCOC1=O ZINC000831380018 604826962 /nfs/dbraw/zinc/82/69/62/604826962.db2.gz BNDGPBYOYULMHY-JTQLQIEISA-N -1 0 315.326 -0.286 20 0 DBADRM C[C@@H](C(=O)NCCCNC(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC000823692024 604831282 /nfs/dbraw/zinc/83/12/82/604831282.db2.gz CIJZAKCMDGXRSC-VIFPVBQESA-N -1 0 322.383 -0.257 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000825834774 604833292 /nfs/dbraw/zinc/83/32/92/604833292.db2.gz VYIFHRZNTZBSFZ-NSHDSACASA-N -1 0 310.310 -0.541 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)C[C@@H]1COC(=O)C1 ZINC000828312726 604834606 /nfs/dbraw/zinc/83/46/06/604834606.db2.gz REFRQWRXJLVGPO-NSHDSACASA-N -1 0 313.354 -0.306 20 0 DBADRM CC(=O)N1CCC(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823550546 604838466 /nfs/dbraw/zinc/83/84/66/604838466.db2.gz TZMSHNYNYJEXNV-GFCCVEGCSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)[C@H](C)N1CCOCC1 ZINC000825094987 604839178 /nfs/dbraw/zinc/83/91/78/604839178.db2.gz VFGQUNJIFQXDJE-SDDRHHMPSA-N -1 0 315.370 -0.409 20 0 DBADRM O=C([O-])c1ccncc1C(=O)OCCN1CCCS1(=O)=O ZINC000833335378 604841163 /nfs/dbraw/zinc/84/11/63/604841163.db2.gz UYNUECXDPCVAJV-UHFFFAOYSA-N -1 0 314.319 -0.028 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000828557489 604842492 /nfs/dbraw/zinc/84/24/92/604842492.db2.gz KSCLZVUXZSQYSM-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000833746823 604844216 /nfs/dbraw/zinc/84/42/16/604844216.db2.gz JELAUKQPCCQHTG-CYBMUJFWSA-N -1 0 312.347 -0.061 20 0 DBADRM CCn1cnnc1CCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000827711302 604850089 /nfs/dbraw/zinc/85/00/89/604850089.db2.gz OXKORUOFXFVZQI-JTQLQIEISA-N -1 0 311.342 -0.274 20 0 DBADRM C[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C1CCOCC1 ZINC000825122809 604852687 /nfs/dbraw/zinc/85/26/87/604852687.db2.gz XMGSVUHWDVHPQC-JTQLQIEISA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000825015953 604858928 /nfs/dbraw/zinc/85/89/28/604858928.db2.gz LEGXDBMMRYZGOV-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000827229188 604861381 /nfs/dbraw/zinc/86/13/81/604861381.db2.gz WRMGDGSDNCIDTI-NEPJUHHUSA-N -1 0 315.370 -0.408 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCOC[C@@H]2CCCO2)C1 ZINC000831692782 604862188 /nfs/dbraw/zinc/86/21/88/604862188.db2.gz BDYAZOGDDPRARU-QWRGUYRKSA-N -1 0 302.327 -0.323 20 0 DBADRM CC(C)(C(=O)N[C@H]1CC[S@@](=O)C1)N1CCN(C(=O)[O-])CC1 ZINC000823744225 604865068 /nfs/dbraw/zinc/86/50/68/604865068.db2.gz ZSKMFZWRNLNXSN-CHNSCGDPSA-N -1 0 317.411 -0.302 20 0 DBADRM COc1ncc(NC(=O)[C@H]2COCCN2C(=O)[O-])cc1C(N)=O ZINC000829659849 604867522 /nfs/dbraw/zinc/86/75/22/604867522.db2.gz GFVFYWNEPLZVDJ-SECBINFHSA-N -1 0 324.293 -0.494 20 0 DBADRM O=C([O-])c1ccncc1C(=O)OCC(=O)NC(=O)NC1CC1 ZINC000833113661 604868408 /nfs/dbraw/zinc/86/84/08/604868408.db2.gz YUARCDKRERWGSS-UHFFFAOYSA-N -1 0 307.262 -0.075 20 0 DBADRM C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736674913 604870690 /nfs/dbraw/zinc/87/06/90/604870690.db2.gz HZDNCRVEQRTUDK-SECBINFHSA-N -1 0 310.306 -0.024 20 0 DBADRM CN(C)C(=O)CNC(=S)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833688220 604871360 /nfs/dbraw/zinc/87/13/60/604871360.db2.gz MBGZWIVLTDYIAP-SNVBAGLBSA-N -1 0 303.384 -0.893 20 0 DBADRM O=C([O-])c1ccncc1C(=O)OCCCN1C(=O)CNC1=O ZINC000833335219 604876488 /nfs/dbraw/zinc/87/64/88/604876488.db2.gz RJUGDEVPBNOWHM-UHFFFAOYSA-N -1 0 307.262 -0.122 20 0 DBADRM COC(=O)c1ccncc1C(=O)OCC(=O)NCCC(=O)[O-] ZINC000831457741 604879220 /nfs/dbraw/zinc/87/92/20/604879220.db2.gz VAHXJLIVIMPUCN-UHFFFAOYSA-N -1 0 310.262 -0.384 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NC[C@@]2(CCO)CCOC2)C1 ZINC000831629097 604882252 /nfs/dbraw/zinc/88/22/52/604882252.db2.gz XQAHMWOFALSIBN-ZWNOBZJWSA-N -1 0 301.343 -0.173 20 0 DBADRM CC1(C)CCC(NC(=O)Cn2cc(C(=O)[O-])nn2)(C(N)=O)CC1 ZINC000833559046 604883105 /nfs/dbraw/zinc/88/31/05/604883105.db2.gz RZSBTUVBLUZTKJ-UHFFFAOYSA-N -1 0 323.353 -0.083 20 0 DBADRM CNC(=O)[C@H]1CCCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828530742 604885761 /nfs/dbraw/zinc/88/57/61/604885761.db2.gz AGKVZQQXBSHLOY-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000825002371 604892342 /nfs/dbraw/zinc/89/23/42/604892342.db2.gz UVPMEFVYLGOZHK-MXWKQRLJSA-N -1 0 302.327 -0.325 20 0 DBADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000833415153 604892839 /nfs/dbraw/zinc/89/28/39/604892839.db2.gz KJCJIVSBTKZKPE-SECBINFHSA-N -1 0 311.338 -0.112 20 0 DBADRM NC(=O)c1ccc(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000831222326 604893848 /nfs/dbraw/zinc/89/38/48/604893848.db2.gz CNBZNQSBOBRCRA-SNVBAGLBSA-N -1 0 308.294 -0.825 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000831591570 604894050 /nfs/dbraw/zinc/89/40/50/604894050.db2.gz KYNLBHISFNUELJ-DTWKUNHWSA-N -1 0 306.340 -0.941 20 0 DBADRM COc1ccc([C@H](O)CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000829310956 604895341 /nfs/dbraw/zinc/89/53/41/604895341.db2.gz KLTFQVBWGKUSNM-CYZMBNFOSA-N -1 0 324.333 -0.042 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)N[C@@H]2CC[S@](=O)C2)CCO1 ZINC000825308438 604895549 /nfs/dbraw/zinc/89/55/49/604895549.db2.gz FZIZYHWPNCFGSY-VAGNRZNMSA-N -1 0 319.383 -0.426 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1CCc1cn(CC(=O)[O-])nn1 ZINC000833631947 604898036 /nfs/dbraw/zinc/89/80/36/604898036.db2.gz ROQKBDOTJGFOMS-VIFPVBQESA-N -1 0 302.356 -0.976 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCN2CCSCC2)C1 ZINC000831688972 604903458 /nfs/dbraw/zinc/90/34/58/604903458.db2.gz HQJWAMJZMJOMGH-SNVBAGLBSA-N -1 0 303.384 -0.470 20 0 DBADRM CCN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)[C@H](C)CS(C)(=O)=O ZINC000826970376 604904361 /nfs/dbraw/zinc/90/43/61/604904361.db2.gz QKDYFJGUOBPIHP-ZJUUUORDSA-N -1 0 322.383 -0.353 20 0 DBADRM C[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000833408528 604904788 /nfs/dbraw/zinc/90/47/88/604904788.db2.gz TWQYQSKOTFCMAP-QMMMGPOBSA-N -1 0 316.335 -0.356 20 0 DBADRM CN(CCN1CCCC1=O)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828313090 604904877 /nfs/dbraw/zinc/90/48/77/604904877.db2.gz VIJCRPYGUPSBKZ-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM COCCN1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828990652 604907160 /nfs/dbraw/zinc/90/71/60/604907160.db2.gz GYUSMFZKBHAPAW-LLVKDONJSA-N -1 0 301.343 -0.844 20 0 DBADRM COCCN(CC(=O)OC)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828979026 604910291 /nfs/dbraw/zinc/91/02/91/604910291.db2.gz AZXYKQLWBVFKKK-SECBINFHSA-N -1 0 304.299 -0.987 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[C@@H]1NC(=O)[O-] ZINC000825969716 604911673 /nfs/dbraw/zinc/91/16/73/604911673.db2.gz RKWZSKPLBVOBCC-WPRPVWTQSA-N -1 0 309.326 -0.137 20 0 DBADRM Cc1nc2ccnn2c(C)c1C(=O)OCC(=O)NCC(=O)[O-] ZINC000833756333 604913290 /nfs/dbraw/zinc/91/32/90/604913290.db2.gz KCEGPVVHCZQIFQ-UHFFFAOYSA-N -1 0 306.278 -0.296 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)[C@H]2CSCN2C(=O)[O-])cn1 ZINC000830994227 604918853 /nfs/dbraw/zinc/91/88/53/604918853.db2.gz PSJVVZYSGZTHKO-BDAKNGLRSA-N -1 0 300.340 -0.377 20 0 DBADRM COc1ncc(NC(=O)COC2CN(C(=O)[O-])C2)cc1C(N)=O ZINC000829660758 604922069 /nfs/dbraw/zinc/92/20/69/604922069.db2.gz RHVVYFHZFAQBAU-UHFFFAOYSA-N -1 0 324.293 -0.494 20 0 DBADRM COc1ccc(C[C@@H](CO)CNC(=O)CNC(=O)[O-])cc1O ZINC000829341540 604925250 /nfs/dbraw/zinc/92/52/50/604925250.db2.gz KJUDRANURFHTQU-SNVBAGLBSA-N -1 0 312.322 -0.064 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NC[C@@]2(CCO)CCOC2)C1 ZINC000831896302 604933900 /nfs/dbraw/zinc/93/39/00/604933900.db2.gz UDITZXPSYQMMPT-OLZOCXBDSA-N -1 0 304.318 -0.016 20 0 DBADRM CC(C)(C)[C@@H](O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000823758873 604934282 /nfs/dbraw/zinc/93/42/82/604934282.db2.gz CAQCASKGMWYIJT-VIFPVBQESA-N -1 0 301.343 -0.668 20 0 DBADRM O=C([O-])N1CC[C@@H](C(=O)Nc2n[nH]c(SCCO)n2)C1 ZINC000831810105 604935689 /nfs/dbraw/zinc/93/56/89/604935689.db2.gz JJMGKEWVIWVDBZ-ZCFIWIBFSA-N -1 0 301.328 -0.173 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCC[C@H](O)C(F)(F)F)C1 ZINC000831659468 604939545 /nfs/dbraw/zinc/93/95/45/604939545.db2.gz ICTNQSVDSCSJRR-RQJHMYQMSA-N -1 0 300.233 -0.205 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CN(C(=O)[O-])CCO1)CN1CCOCC1 ZINC000824915020 604946290 /nfs/dbraw/zinc/94/62/90/604946290.db2.gz IIXFHARAARFBCV-NWDGAFQWSA-N -1 0 315.370 -0.550 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000826094301 604946396 /nfs/dbraw/zinc/94/63/96/604946396.db2.gz WEBSYJPCKNDBCT-UWVGGRQHSA-N -1 0 320.367 -0.599 20 0 DBADRM O=C([O-])N1CC(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)C1 ZINC000740404206 604947639 /nfs/dbraw/zinc/94/76/39/604947639.db2.gz PNZPDSVLBRFJFK-GFCCVEGCSA-N -1 0 316.321 -0.065 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CN(C(=O)[O-])C3)cnc21 ZINC000740275323 604947971 /nfs/dbraw/zinc/94/79/71/604947971.db2.gz OZZRLFODSSRDBD-UHFFFAOYSA-N -1 0 319.277 -0.874 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828266226 604949502 /nfs/dbraw/zinc/94/95/02/604949502.db2.gz DPWMLTHSRSBNLG-VHSXEESVSA-N -1 0 320.367 -0.742 20 0 DBADRM Cn1cc(NC(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1C(=O)[O-] ZINC000833046730 604962106 /nfs/dbraw/zinc/96/21/06/604962106.db2.gz DPFPMCGWTPWJNG-QMMMGPOBSA-N -1 0 316.339 -0.382 20 0 DBADRM CCn1c(N)c(C(=O)CN2CCC[C@H]2CC(=O)[O-])c(=O)[nH]c1=O ZINC000833683095 604968596 /nfs/dbraw/zinc/96/85/96/604968596.db2.gz DVMMHZHOUKGNCA-QMMMGPOBSA-N -1 0 324.337 -0.327 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833656778 604976618 /nfs/dbraw/zinc/97/66/18/604976618.db2.gz HFPJBCOOSLRKHR-WPRPVWTQSA-N -1 0 301.343 -0.622 20 0 DBADRM C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833549878 604981704 /nfs/dbraw/zinc/98/17/04/604981704.db2.gz HNPMGRSVDQRNFO-WPRPVWTQSA-N -1 0 324.385 -0.262 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833404400 604981766 /nfs/dbraw/zinc/98/17/66/604981766.db2.gz KGWYSIFFGOYKFE-RAIGVLPGSA-N -1 0 314.382 -0.172 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833404402 604981801 /nfs/dbraw/zinc/98/18/01/604981801.db2.gz KGWYSIFFGOYKFE-WXHSDQCUSA-N -1 0 314.382 -0.172 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833404399 604982036 /nfs/dbraw/zinc/98/20/36/604982036.db2.gz KGWYSIFFGOYKFE-KGYLQXTDSA-N -1 0 314.382 -0.172 20 0 DBADRM CCOc1cc(C(=O)NOCC(N)=O)ccc1OCC(=O)[O-] ZINC000833663158 605002989 /nfs/dbraw/zinc/00/29/89/605002989.db2.gz NJQDDWIPYPAAPI-UHFFFAOYSA-N -1 0 312.278 -0.305 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C2CCOCC2)c1)C(=O)[O-] ZINC000261662127 605003302 /nfs/dbraw/zinc/00/33/02/605003302.db2.gz JHSISFPSKHLCAZ-MRVPVSSYSA-N -1 0 303.340 -0.014 20 0 DBADRM CC(=O)NCCNS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833397740 605014233 /nfs/dbraw/zinc/01/42/33/605014233.db2.gz XVZWEEQUUFOIFN-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM CC(C)NC(=O)CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000833502249 605015400 /nfs/dbraw/zinc/01/54/00/605015400.db2.gz PNEJBGUEEXMZSN-UHFFFAOYSA-N -1 0 307.353 -0.356 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CC[C@H](NC(N)=O)C1)C(=O)[O-] ZINC000833477992 605018271 /nfs/dbraw/zinc/01/82/71/605018271.db2.gz NMZWUFGVJJHEOF-VHSXEESVSA-N -1 0 300.359 -0.656 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CC[C@@H](NC(N)=O)C1)C(=O)[O-] ZINC000833477988 605018466 /nfs/dbraw/zinc/01/84/66/605018466.db2.gz NMZWUFGVJJHEOF-NXEZZACHSA-N -1 0 300.359 -0.656 20 0 DBADRM CC(C)(C)OC(=O)N1CC(CC(=O)NC[C@H](O)C(=O)[O-])C1 ZINC000833432939 605025220 /nfs/dbraw/zinc/02/52/20/605025220.db2.gz RKAHQJYCBSEGEA-VIFPVBQESA-N -1 0 302.327 -0.195 20 0 DBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c(F)c1 ZINC000821352931 605026180 /nfs/dbraw/zinc/02/61/80/605026180.db2.gz DJWPIBLQHORZDL-QMMMGPOBSA-N -1 0 323.280 -0.204 20 0 DBADRM C[C@@H](CS(=O)(=O)N(C)CC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000833517447 605028124 /nfs/dbraw/zinc/02/81/24/605028124.db2.gz BOIRCALIKWBNPM-QMMMGPOBSA-N -1 0 315.413 -0.208 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN2C(=O)OCC[C@@H]2C1)C(=O)[O-] ZINC000833519929 605028136 /nfs/dbraw/zinc/02/81/36/605028136.db2.gz QSOFDMKEYNNAQN-DTWKUNHWSA-N -1 0 306.340 -0.437 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)c1cncc(C(=O)[O-])c1 ZINC000833501536 605029391 /nfs/dbraw/zinc/02/93/91/605029391.db2.gz BQVBFGLQHMRAHO-UHFFFAOYSA-N -1 0 315.351 -0.163 20 0 DBADRM CC(C)C[C@@H](CO)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000040777377 605030036 /nfs/dbraw/zinc/03/00/36/605030036.db2.gz WTKOEGCDWDUBFT-VIFPVBQESA-N -1 0 305.356 -0.347 20 0 DBADRM CSC[C@](C)(O)CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000833738635 605037165 /nfs/dbraw/zinc/03/71/65/605037165.db2.gz ORFVHBCFXGTKMP-SNVBAGLBSA-N -1 0 323.396 -0.191 20 0 DBADRM C[C@H]1CC(=O)NCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833592501 605040728 /nfs/dbraw/zinc/04/07/28/605040728.db2.gz MKZAYRYFGPDEBZ-LURJTMIESA-N -1 0 319.364 -0.260 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCS(C)(=O)=O ZINC000833627643 605048034 /nfs/dbraw/zinc/04/80/34/605048034.db2.gz YGFZXQCZFNMGAO-SNVBAGLBSA-N -1 0 321.399 -0.779 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC2(CO)COC2)cs1 ZINC000717690349 605050791 /nfs/dbraw/zinc/05/07/91/605050791.db2.gz NCEUDXZFXOSDJU-UHFFFAOYSA-N -1 0 307.349 -0.267 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000833554480 605055055 /nfs/dbraw/zinc/05/50/55/605055055.db2.gz SZHLIRRIPDZISP-NSHDSACASA-N -1 0 302.308 -0.136 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)OC[C@H]1CCCOC1 ZINC000831488341 605065368 /nfs/dbraw/zinc/06/53/68/605065368.db2.gz CYAFISKUZLHFSX-JTQLQIEISA-N -1 0 300.311 -0.222 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000314107063 605074286 /nfs/dbraw/zinc/07/42/86/605074286.db2.gz JSBXMWXNIBYGSU-KCJUWKMLSA-N -1 0 306.322 -0.468 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000831647255 605075790 /nfs/dbraw/zinc/07/57/90/605075790.db2.gz MGAVBKZWKVXKOG-BDAKNGLRSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000831647256 605075842 /nfs/dbraw/zinc/07/58/42/605075842.db2.gz MGAVBKZWKVXKOG-DTWKUNHWSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000831903412 605075934 /nfs/dbraw/zinc/07/59/34/605075934.db2.gz XBQGCPXNTQDEAL-KCJUWKMLSA-N -1 0 308.331 -0.228 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CC1=O ZINC000170581180 605077645 /nfs/dbraw/zinc/07/76/45/605077645.db2.gz XDCSPGDPSJSCDG-ONGXEEELSA-N -1 0 324.337 -0.984 20 0 DBADRM CCCN(C(=O)NC1CN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000833651787 605083258 /nfs/dbraw/zinc/08/32/58/605083258.db2.gz ZVHABARRNFYTOP-SNVBAGLBSA-N -1 0 319.383 -0.043 20 0 DBADRM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC000833440341 605089991 /nfs/dbraw/zinc/08/99/91/605089991.db2.gz XEMPQBXKNMPNRK-BDAKNGLRSA-N -1 0 302.327 -0.052 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000833697805 605090950 /nfs/dbraw/zinc/09/09/50/605090950.db2.gz KLMFXCNFGCOLAE-MDZLAQPJSA-N -1 0 324.308 -0.093 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCN(C)C(=O)[O-])c(=O)n(C)c1 ZINC000830090528 605094426 /nfs/dbraw/zinc/09/44/26/605094426.db2.gz SXCCAKAYWZXHNX-UHFFFAOYSA-N -1 0 310.310 -0.642 20 0 DBADRM CN(CCCNC(=O)N1CC[C@H](NC(=O)[O-])C1)S(C)(=O)=O ZINC000739669358 605095187 /nfs/dbraw/zinc/09/51/87/605095187.db2.gz CSJQVQAIQBMZSE-VIFPVBQESA-N -1 0 322.387 -0.681 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000829674567 605106156 /nfs/dbraw/zinc/10/61/56/605106156.db2.gz RGXLBVRLDCTZOF-VIFPVBQESA-N -1 0 323.371 -0.901 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)N2CC[C@H](NC(=O)[O-])C2)O1 ZINC000831171817 605111660 /nfs/dbraw/zinc/11/16/60/605111660.db2.gz GAWRFTUPBUAFMI-XHNCKOQMSA-N -1 0 300.315 -0.929 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cn(C)c1=O ZINC000820986521 605120057 /nfs/dbraw/zinc/12/00/57/605120057.db2.gz YVRINPWAHHYHAJ-VIFPVBQESA-N -1 0 307.306 -0.435 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCS(=O)(=O)CC1CC1 ZINC000831699443 605121686 /nfs/dbraw/zinc/12/16/86/605121686.db2.gz JBQYLEFVIIGMKT-ZJUUUORDSA-N -1 0 320.367 -0.959 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000738703278 605138441 /nfs/dbraw/zinc/13/84/41/605138441.db2.gz GKFPMDBLDBLQOM-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCO[C@H](C(=O)NC)C1)C(=O)[O-] ZINC000833636824 605139153 /nfs/dbraw/zinc/13/91/53/605139153.db2.gz ARHZMPFPUONBNL-JBLDHEPKSA-N -1 0 315.370 -0.951 20 0 DBADRM CC(C)(CNC(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000833459289 605146844 /nfs/dbraw/zinc/14/68/44/605146844.db2.gz PHMOZMLBQZPZAB-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000833466778 605148943 /nfs/dbraw/zinc/14/89/43/605148943.db2.gz AUNVTPKVOHSIEQ-NXEZZACHSA-N -1 0 321.399 -0.181 20 0 DBADRM COCC1(NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000828920058 605154471 /nfs/dbraw/zinc/15/44/71/605154471.db2.gz CMDBLGLIGAAGIX-UHFFFAOYSA-N -1 0 314.342 -0.713 20 0 DBADRM C[C@@H](Oc1cccc(CO)c1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000833540599 605158376 /nfs/dbraw/zinc/15/83/76/605158376.db2.gz MXENAXKMLWAZKN-SECBINFHSA-N -1 0 311.290 -0.310 20 0 DBADRM C[C@H](Oc1cccc(CO)c1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000833540601 605158453 /nfs/dbraw/zinc/15/84/53/605158453.db2.gz MXENAXKMLWAZKN-VIFPVBQESA-N -1 0 311.290 -0.310 20 0 DBADRM C[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)S(C)(=O)=O ZINC000833625734 605159597 /nfs/dbraw/zinc/15/95/97/605159597.db2.gz XQWMBDTXBIWHFL-UWVGGRQHSA-N -1 0 306.384 -0.573 20 0 DBADRM C[C@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)S(C)(=O)=O ZINC000833625731 605160106 /nfs/dbraw/zinc/16/01/06/605160106.db2.gz XQWMBDTXBIWHFL-NXEZZACHSA-N -1 0 306.384 -0.573 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](NC(=O)[O-])C1 ZINC000738626748 605160185 /nfs/dbraw/zinc/16/01/85/605160185.db2.gz WFSNPNBGZUQUQK-KXUCPTDWSA-N -1 0 319.383 -0.980 20 0 DBADRM CS(=O)(=O)CCN(C(=O)NC1CN(C(=O)[O-])C1)C1CC1 ZINC000833738138 605164626 /nfs/dbraw/zinc/16/46/26/605164626.db2.gz RUHLUJCFUXYMKZ-UHFFFAOYSA-N -1 0 305.356 -0.433 20 0 DBADRM COCCOCCS(=O)(=O)N1CCC(NC(=O)[O-])CC1 ZINC000829002038 605169927 /nfs/dbraw/zinc/16/99/27/605169927.db2.gz KMBQUJZGAFUJFS-UHFFFAOYSA-N -1 0 310.372 -0.289 20 0 DBADRM Cn1c(CO)nn(CN2CC[C@H](CNC(=O)[O-])C2)c1=S ZINC000830974997 605172737 /nfs/dbraw/zinc/17/27/37/605172737.db2.gz SAKFPVWMMHWLJB-MRVPVSSYSA-N -1 0 301.372 -0.010 20 0 DBADRM Cn1c(CO)nn(CN2CC[C@@H](CNC(=O)[O-])C2)c1=S ZINC000830975000 605172860 /nfs/dbraw/zinc/17/28/60/605172860.db2.gz SAKFPVWMMHWLJB-QMMMGPOBSA-N -1 0 301.372 -0.010 20 0 DBADRM O=C([O-])NCc1nnnn1CC(=O)NCC(=O)c1ccccc1 ZINC000832738204 605176612 /nfs/dbraw/zinc/17/66/12/605176612.db2.gz IQFWWZNDCIMZDF-UHFFFAOYSA-N -1 0 318.293 -0.560 20 0 DBADRM O=C([O-])NCc1nnnn1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000832739116 605180437 /nfs/dbraw/zinc/18/04/37/605180437.db2.gz SISHDXHOMNWBSX-UHFFFAOYSA-N -1 0 320.265 -0.192 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000701735183 605183438 /nfs/dbraw/zinc/18/34/38/605183438.db2.gz QRUSFYAQNVTVJR-JTQLQIEISA-N -1 0 320.367 -0.381 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1scc(C(=O)[O-])c1C ZINC000833396372 605184799 /nfs/dbraw/zinc/18/47/99/605184799.db2.gz IFCSUVWEGVWWSW-UHFFFAOYSA-N -1 0 313.335 -0.054 20 0 DBADRM COCCCS(=O)(=O)N1CCN(CCNC(=O)[O-])CC1 ZINC000828957033 605187622 /nfs/dbraw/zinc/18/76/22/605187622.db2.gz DBSJKZVKKDTUGF-UHFFFAOYSA-N -1 0 309.388 -0.762 20 0 DBADRM CC(C)(C(=O)O[C@@H]1CCCNC1=O)N1CCN(C(=O)[O-])CC1 ZINC000823743842 605193529 /nfs/dbraw/zinc/19/35/29/605193529.db2.gz PZKJNAINONYNFG-SNVBAGLBSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@@H](NC(=O)N1CCN(C(=O)[O-])CC1)[C@@H]1CN(C)CCO1 ZINC000825149987 605196269 /nfs/dbraw/zinc/19/62/69/605196269.db2.gz PABOTMLZQLBUHM-MNOVXSKESA-N -1 0 300.359 -0.289 20 0 DBADRM C[C@]1(O)CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000163090133 605197644 /nfs/dbraw/zinc/19/76/44/605197644.db2.gz RFARJZCXLWKRIW-NSHDSACASA-N -1 0 303.340 -0.497 20 0 DBADRM Cc1cc(NC(=O)COC(=O)[C@H]2CN(C(=O)[O-])CCO2)no1 ZINC000830107205 605199539 /nfs/dbraw/zinc/19/95/39/605199539.db2.gz HOCMFDCPCYVQBS-MRVPVSSYSA-N -1 0 313.266 -0.156 20 0 DBADRM C[C@H](NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC000825077267 605200259 /nfs/dbraw/zinc/20/02/59/605200259.db2.gz WTTVWIKKVRMIKF-OPQQBVKSSA-N -1 0 303.334 -0.086 20 0 DBADRM C[C@H](NC(=O)[C@]1(F)CCN(C(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC000825077265 605200345 /nfs/dbraw/zinc/20/03/45/605200345.db2.gz WTTVWIKKVRMIKF-CWSCBRNRSA-N -1 0 303.334 -0.086 20 0 DBADRM COCCc1noc(COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)n1 ZINC000829030540 605201646 /nfs/dbraw/zinc/20/16/46/605201646.db2.gz OCRRXPZZIJFPMI-QMMMGPOBSA-N -1 0 315.282 -0.320 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCOCC1 ZINC000825560224 605207465 /nfs/dbraw/zinc/20/74/65/605207465.db2.gz HYABDYGMWUVPIM-NXEZZACHSA-N -1 0 316.310 -0.844 20 0 DBADRM C[C@H](COC(=O)[C@H]1CN(C(=O)[O-])CCO1)CS(C)(=O)=O ZINC000824986995 605209348 /nfs/dbraw/zinc/20/93/48/605209348.db2.gz KEVKYVOWIPULCI-RKDXNWHRSA-N -1 0 309.340 -0.411 20 0 DBADRM COCCCNC(=O)COC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828950865 605215696 /nfs/dbraw/zinc/21/56/96/605215696.db2.gz VBFAUYIYXQDXST-SECBINFHSA-N -1 0 304.299 -0.939 20 0 DBADRM COCCN(CC(=O)N[C@@H](C)[C@H]1CN(C)CCO1)C(=O)[O-] ZINC000828970672 605224230 /nfs/dbraw/zinc/22/42/30/605224230.db2.gz CNFAGCNVTOWGNR-WDEREUQCSA-N -1 0 303.359 -0.552 20 0 DBADRM O=C(COC(=O)C[C@H]1CN(C(=O)[O-])CCO1)NCC1CC1 ZINC000831507351 605227411 /nfs/dbraw/zinc/22/74/11/605227411.db2.gz IQOYXDABUSZFSE-JTQLQIEISA-N -1 0 300.311 -0.175 20 0 DBADRM COC(=O)N1CC(NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000828704834 605229604 /nfs/dbraw/zinc/22/96/04/605229604.db2.gz OKLLVZHAGLDOGJ-MRVPVSSYSA-N -1 0 300.315 -0.121 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CCC[C@H]2CNC(=O)[O-])C1 ZINC000828704868 605231983 /nfs/dbraw/zinc/23/19/83/605231983.db2.gz PLSUBBRHDMFHST-VIFPVBQESA-N -1 0 300.315 -0.121 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)C1 ZINC000828705204 605232004 /nfs/dbraw/zinc/23/20/04/605232004.db2.gz UIRUQRITMOZWQA-VIFPVBQESA-N -1 0 300.315 -0.169 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CCC[C@@H]2CNC(=O)[O-])C1 ZINC000828704866 605232077 /nfs/dbraw/zinc/23/20/77/605232077.db2.gz PLSUBBRHDMFHST-SECBINFHSA-N -1 0 300.315 -0.121 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CC[C@H](CNC(=O)[O-])C2)C1 ZINC000828704873 605232136 /nfs/dbraw/zinc/23/21/36/605232136.db2.gz PULVTJSSDQCAIL-MRVPVSSYSA-N -1 0 300.315 -0.264 20 0 DBADRM C[C@H](NC(=O)N1CC[C@H](NC(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC000825145404 605232797 /nfs/dbraw/zinc/23/27/97/605232797.db2.gz ZLKBUJYRSXIAKS-GARJFASQSA-N -1 0 300.359 -0.243 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000827236862 605242297 /nfs/dbraw/zinc/24/22/97/605242297.db2.gz KXWCYRAVAYDZBY-UWVGGRQHSA-N -1 0 301.343 -0.214 20 0 DBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)N[C@H]1CCS(=O)(=O)C1 ZINC000831514923 605244659 /nfs/dbraw/zinc/24/46/59/605244659.db2.gz ZTYOKWNITIUWKH-UWVGGRQHSA-N -1 0 320.367 -0.551 20 0 DBADRM Cc1nn(C)c2c1N(S(=O)(=O)C[C@@H](C)C(=O)[O-])CCO2 ZINC000833757126 605244812 /nfs/dbraw/zinc/24/48/12/605244812.db2.gz WXVBSFJRUPNRMP-SSDOTTSWSA-N -1 0 303.340 -0.022 20 0 DBADRM COc1c(NC(=O)C(=O)NCCC(=O)[O-])cccc1C(N)=O ZINC000820755277 605248407 /nfs/dbraw/zinc/24/84/07/605248407.db2.gz YPFGFURERVRVRN-UHFFFAOYSA-N -1 0 309.278 -0.677 20 0 DBADRM O=C([O-])N1CCC[C@H](OCC(=O)NCCCn2cncn2)C1 ZINC000831512920 605262073 /nfs/dbraw/zinc/26/20/73/605262073.db2.gz KGNFQJUTGXPXEK-NSHDSACASA-N -1 0 311.342 -0.057 20 0 DBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)N[C@H]1CCCCNC1=O ZINC000831513306 605262284 /nfs/dbraw/zinc/26/22/84/605262284.db2.gz OZNDWDKEQZTZCZ-MNOVXSKESA-N -1 0 313.354 -0.070 20 0 DBADRM COC(=O)Cn1cc([C@H](C)OC(=O)CN(C)C(=O)[O-])nn1 ZINC000828699006 605265692 /nfs/dbraw/zinc/26/56/92/605265692.db2.gz BFQGPZMNTRDROP-ZETCQYMHSA-N -1 0 300.271 -0.335 20 0 DBADRM CS(=O)(=O)CCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000829672912 605268019 /nfs/dbraw/zinc/26/80/19/605268019.db2.gz FKYGVVXCWJVTHI-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC000833621251 605268926 /nfs/dbraw/zinc/26/89/26/605268926.db2.gz JDZZDKMOQOFJFE-WYUUTHIRSA-N -1 0 302.371 -0.318 20 0 DBADRM CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000833621249 605269034 /nfs/dbraw/zinc/26/90/34/605269034.db2.gz JDZZDKMOQOFJFE-USZNOCQGSA-N -1 0 302.371 -0.318 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC000833665128 605277245 /nfs/dbraw/zinc/27/72/45/605277245.db2.gz MFPSDHVJIRRKFU-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000833767406 605280220 /nfs/dbraw/zinc/28/02/20/605280220.db2.gz DLYZJBFUEANKBU-NSHDSACASA-N -1 0 303.274 -0.592 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000833767811 605280792 /nfs/dbraw/zinc/28/07/92/605280792.db2.gz QPZYTFLKALYZRS-LBPRGKRZSA-N -1 0 317.301 -0.533 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)CN(C(=O)[O-])c2ccccc2)CCO1 ZINC000831179361 605285074 /nfs/dbraw/zinc/28/50/74/605285074.db2.gz WDGFZZXTYNYGIL-NSHDSACASA-N -1 0 307.306 -0.116 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000833397589 605286414 /nfs/dbraw/zinc/28/64/14/605286414.db2.gz DVYMNNVCFKXUMZ-WPRPVWTQSA-N -1 0 302.327 -0.330 20 0 DBADRM CCS(=O)(=O)CCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000827471527 605292493 /nfs/dbraw/zinc/29/24/93/605292493.db2.gz KTXFNYIVWYPRBR-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2CC(n3cncn3)C2)C1 ZINC000831984989 605292682 /nfs/dbraw/zinc/29/26/82/605292682.db2.gz FKDPCXDPNKYWEX-NSHDSACASA-N -1 0 309.326 -0.180 20 0 DBADRM CCS(=O)(=O)CCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827471528 605292713 /nfs/dbraw/zinc/29/27/13/605292713.db2.gz KTXFNYIVWYPRBR-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM COC(=O)N1CC(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000828704909 605295499 /nfs/dbraw/zinc/29/54/99/605295499.db2.gz QGGOGOCDFDKBRG-SNVBAGLBSA-N -1 0 315.326 -0.288 20 0 DBADRM C[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC000825128918 605296343 /nfs/dbraw/zinc/29/63/43/605296343.db2.gz YFFXLUXBEBQESJ-MWLCHTKSSA-N -1 0 301.343 -0.800 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)CCOC1CN(C(=O)[O-])C1 ZINC000833838006 605308335 /nfs/dbraw/zinc/30/83/35/605308335.db2.gz LJZIGFIDBJHOGX-SECBINFHSA-N -1 0 320.367 -0.599 20 0 DBADRM O=C(CN(C(=O)[O-])c1ccccc1)NCCN1C(=O)CNC1=O ZINC000831446640 605310371 /nfs/dbraw/zinc/31/03/71/605310371.db2.gz SLAGYOMUCAOFFT-UHFFFAOYSA-N -1 0 320.305 -0.161 20 0 DBADRM NS(=O)(=O)CCNC(=O)CCC1CCN(C(=O)[O-])CC1 ZINC000833987357 605310583 /nfs/dbraw/zinc/31/05/83/605310583.db2.gz ZDWFHOIHNIXQES-UHFFFAOYSA-N -1 0 307.372 -0.439 20 0 DBADRM Cn1cc(N2CC[C@H](OC(=O)C=C3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000833949383 605314006 /nfs/dbraw/zinc/31/40/06/605314006.db2.gz IEAQMZLLJBABMH-NSHDSACASA-N -1 0 320.305 -0.011 20 0 DBADRM COC[C@@](C)(O)CNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000828896761 605317509 /nfs/dbraw/zinc/31/75/09/605317509.db2.gz LRGSGIRCKPJJKB-SKDRFNHKSA-N -1 0 306.384 -0.015 20 0 DBADRM COC(=O)C1=C(C)O[C@H](CN2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC000833703394 605318675 /nfs/dbraw/zinc/31/86/75/605318675.db2.gz IZSMKEOPCQKEFJ-GXSJLCMTSA-N -1 0 312.322 -0.503 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000824305101 605319031 /nfs/dbraw/zinc/31/90/31/605319031.db2.gz OLEXONRPHYGRAR-VIFPVBQESA-N -1 0 315.326 -0.830 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)OCC(=O)NC(=O)NC1CC1 ZINC000834136936 605324227 /nfs/dbraw/zinc/32/42/27/605324227.db2.gz HCMFRNIZNBOQDG-ZCFIWIBFSA-N -1 0 323.252 -0.191 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@H](CCO)C2)C(=O)C1 ZINC000834113359 605331788 /nfs/dbraw/zinc/33/17/88/605331788.db2.gz QTGIZEDPZYZUNV-LLVKDONJSA-N -1 0 313.354 -0.570 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000834196092 605337674 /nfs/dbraw/zinc/33/76/74/605337674.db2.gz IYHOFKKRLKOOBJ-JTQLQIEISA-N -1 0 307.306 -0.510 20 0 DBADRM CN1CC[C@@H](OC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C1=O ZINC000828470787 605342409 /nfs/dbraw/zinc/34/24/09/605342409.db2.gz FYLMGKBWOSYRRM-VHSXEESVSA-N -1 0 300.311 -0.081 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1cccc2c1OCO2 ZINC000834197745 605342679 /nfs/dbraw/zinc/34/26/79/605342679.db2.gz ALZYGULEGHJWDX-UHFFFAOYSA-N -1 0 309.278 -0.585 20 0 DBADRM O=C([O-])N1CCN(CCN2C(=O)[C@H]3CSCN3C2=O)CC1 ZINC000834112951 605343658 /nfs/dbraw/zinc/34/36/58/605343658.db2.gz MCCWOMAIVNKBRS-SECBINFHSA-N -1 0 314.367 -0.381 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCOC1CCCCC1 ZINC000834197013 605344536 /nfs/dbraw/zinc/34/45/36/605344536.db2.gz WKFRNFDAACXWHW-UHFFFAOYSA-N -1 0 301.343 -0.164 20 0 DBADRM CCc1nc(CN2C(=O)N[C@@]3(CCN(C(=O)[O-])C3)C2=O)no1 ZINC000827631283 605346895 /nfs/dbraw/zinc/34/68/95/605346895.db2.gz FAIVUYQIXYCQBS-GFCCVEGCSA-N -1 0 309.282 -0.194 20 0 DBADRM Cc1nccn1[C@@H]1CCCN(C(=O)CNC(=O)CNC(=O)[O-])C1 ZINC000833917770 605348164 /nfs/dbraw/zinc/34/81/64/605348164.db2.gz HYUDJHJBGIWIJA-LLVKDONJSA-N -1 0 323.353 -0.261 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@H]1Cn1cccn1 ZINC000834194044 605349051 /nfs/dbraw/zinc/34/90/51/605349051.db2.gz JRGDJKXZOXNFMR-SNVBAGLBSA-N -1 0 309.326 -0.742 20 0 DBADRM CCn1c(C)nnc1CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O ZINC000827687270 605349397 /nfs/dbraw/zinc/34/93/97/605349397.db2.gz CJAVZVGAAJZKAI-CYBMUJFWSA-N -1 0 322.325 -0.219 20 0 DBADRM CCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)CNC(=O)[O-] ZINC000833867639 605349788 /nfs/dbraw/zinc/34/97/88/605349788.db2.gz WKMYNOQCICJRHH-MRVPVSSYSA-N -1 0 324.341 -0.825 20 0 DBADRM Cn1ccnc1[C@@H]1CCN(C(=O)CNC(=O)CNC(=O)[O-])C1 ZINC000833955351 605351733 /nfs/dbraw/zinc/35/17/33/605351733.db2.gz RHLBJUDSMAJMGY-SECBINFHSA-N -1 0 309.326 -0.880 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCc1cnc(C2CC2)nc1 ZINC000834196296 605352794 /nfs/dbraw/zinc/35/27/94/605352794.db2.gz LYFYLEYBDYMUBI-UHFFFAOYSA-N -1 0 321.337 -0.604 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCS[C@H]2COCC[C@H]21 ZINC000834194754 605352829 /nfs/dbraw/zinc/35/28/29/605352829.db2.gz OQTBOJTXAWFDDI-BDAKNGLRSA-N -1 0 317.367 -0.897 20 0 DBADRM Cn1cc(CCN2C(=O)N[C@]3(CCN(C(=O)[O-])C3)C2=O)cn1 ZINC000831004140 605354929 /nfs/dbraw/zinc/35/49/29/605354929.db2.gz CINAOWGTMWXRTD-ZDUSSCGKSA-N -1 0 307.310 -0.363 20 0 DBADRM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)NC(CO)CO)cc2C1 ZINC000834197878 605357597 /nfs/dbraw/zinc/35/75/97/605357597.db2.gz YJXNMMDZFISPPF-SECBINFHSA-N -1 0 324.337 -0.319 20 0 DBADRM O=C([O-])N[C@H]1CCc2ncc(NC(=O)NC(CO)CO)cc2C1 ZINC000834197881 605357816 /nfs/dbraw/zinc/35/78/16/605357816.db2.gz YJXNMMDZFISPPF-VIFPVBQESA-N -1 0 324.337 -0.319 20 0 DBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NCC1(O)CCOCC1 ZINC000831512488 605365917 /nfs/dbraw/zinc/36/59/17/605365917.db2.gz BJOZFGAHPIBAKW-LLVKDONJSA-N -1 0 316.354 -0.197 20 0 DBADRM CNC(=O)c1cccc(NC(=O)CNC(=O)CNC(=O)[O-])c1C ZINC000833877539 605367056 /nfs/dbraw/zinc/36/70/56/605367056.db2.gz RHGUYCVBPXJKCI-UHFFFAOYSA-N -1 0 322.321 -0.323 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000833946302 605373163 /nfs/dbraw/zinc/37/31/63/605373163.db2.gz LPNMRXNFEWFTOH-MNOVXSKESA-N -1 0 311.342 -0.105 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCOc1ncccc1F ZINC000834197009 605374631 /nfs/dbraw/zinc/37/46/31/605374631.db2.gz WHOMGYZHXJUDHJ-UHFFFAOYSA-N -1 0 314.273 -0.901 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCCN(CC(F)F)CC1 ZINC000834193338 605376436 /nfs/dbraw/zinc/37/64/36/605376436.db2.gz FOYGRPYQXSTQTD-UHFFFAOYSA-N -1 0 322.312 -0.830 20 0 DBADRM CC(C)COC[C@@H](O)CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824276963 605378191 /nfs/dbraw/zinc/37/81/91/605378191.db2.gz QZZJKYJSSZKQRL-QWRGUYRKSA-N -1 0 304.343 -0.485 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1cccc2c1OCCO2 ZINC000834199131 605378900 /nfs/dbraw/zinc/37/89/00/605378900.db2.gz UTTBHMFZDVIYTR-UHFFFAOYSA-N -1 0 323.305 -0.542 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NC[C@H](O)COCC1CC1 ZINC000831381475 605380240 /nfs/dbraw/zinc/38/02/40/605380240.db2.gz KOTCUNDBCKEWSM-RYUDHWBXSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OCc1cn2cccnc2n1 ZINC000834198602 605384151 /nfs/dbraw/zinc/38/41/51/605384151.db2.gz LAFGCFKKDZRVQV-UHFFFAOYSA-N -1 0 307.266 -0.844 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000834198093 605386125 /nfs/dbraw/zinc/38/61/25/605386125.db2.gz BJUKVTNONAXPRZ-UHFFFAOYSA-N -1 0 320.305 -0.106 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@H](O)c1cccc(F)c1 ZINC000834197092 605388389 /nfs/dbraw/zinc/38/83/89/605388389.db2.gz PVUJCBMLJBJKHL-JTQLQIEISA-N -1 0 313.285 -0.641 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000834197112 605389143 /nfs/dbraw/zinc/38/91/43/605389143.db2.gz QJPLALUFOMKCGQ-NSHDSACASA-N -1 0 309.322 -0.910 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000834197093 605389472 /nfs/dbraw/zinc/38/94/72/605389472.db2.gz PVUJCBMLJBJKHL-SNVBAGLBSA-N -1 0 313.285 -0.641 20 0 DBADRM O=C([O-])N1CCC(S(=O)(=O)N[C@@H]2CCCCNC2=O)CC1 ZINC000738720054 605389797 /nfs/dbraw/zinc/38/97/97/605389797.db2.gz GEMIPQTYQKQVPA-SNVBAGLBSA-N -1 0 319.383 -0.283 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000834195956 605392166 /nfs/dbraw/zinc/39/21/66/605392166.db2.gz GMAMQMBJRGZIMI-GHMZBOCLSA-N -1 0 315.370 -0.182 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000834195961 605392315 /nfs/dbraw/zinc/39/23/15/605392315.db2.gz GMAMQMBJRGZIMI-WDEREUQCSA-N -1 0 315.370 -0.182 20 0 DBADRM COCCN(CC(=O)N1CCOC[C@@H]1c1ncon1)C(=O)[O-] ZINC000833884649 605398185 /nfs/dbraw/zinc/39/81/85/605398185.db2.gz QWLYGJKMKHXRTG-SECBINFHSA-N -1 0 314.298 -0.404 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCc2ccc(O)cc2CC1 ZINC000834195204 605400012 /nfs/dbraw/zinc/40/00/12/605400012.db2.gz SBZKWPXFMDYDRT-UHFFFAOYSA-N -1 0 321.333 -0.297 20 0 DBADRM O=C([O-])N1CC[C@@H](CNC(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000834026552 605403302 /nfs/dbraw/zinc/40/33/02/605403302.db2.gz JLQKZWJREWIQMH-UWVGGRQHSA-N -1 0 319.383 -0.137 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NC[C@H]2CCCCS2(=O)=O)C1 ZINC000834033215 605405052 /nfs/dbraw/zinc/40/50/52/605405052.db2.gz GBFJAEGAFWNAIU-SNVBAGLBSA-N -1 0 319.383 -0.137 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(Cn2nc3cnccn3c2=O)CCO1 ZINC000833820737 605406596 /nfs/dbraw/zinc/40/65/96/605406596.db2.gz SOYWBWFNUDUEFY-NXEZZACHSA-N -1 0 322.325 -0.795 20 0 DBADRM O=C([O-])N1CCCC[C@@H]1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000831620658 605406664 /nfs/dbraw/zinc/40/66/64/605406664.db2.gz HXOXSYITLMMYCJ-NWDGAFQWSA-N -1 0 315.370 -0.672 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NC[C@H](O)CN2CCOCC2)C1 ZINC000834170547 605408315 /nfs/dbraw/zinc/40/83/15/605408315.db2.gz PSCQIFKLHOVMBJ-UTUOFQBUSA-N -1 0 315.370 -0.768 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000823761268 605410904 /nfs/dbraw/zinc/41/09/04/605410904.db2.gz YXNDEEVQIRGFGO-RKDXNWHRSA-N -1 0 321.399 -0.181 20 0 DBADRM COCCN(CCNC(=O)N[C@H]1CCCN(C)C1=O)C(=O)[O-] ZINC000833885647 605413735 /nfs/dbraw/zinc/41/37/35/605413735.db2.gz IVXUHKSACCTCOP-JTQLQIEISA-N -1 0 316.358 -0.467 20 0 DBADRM COCCN(CCNC(=O)N[C@@H]1CCC(=O)N(C)C1)C(=O)[O-] ZINC000833885262 605413925 /nfs/dbraw/zinc/41/39/25/605413925.db2.gz CPLZNJHNWXRQNX-SNVBAGLBSA-N -1 0 316.358 -0.467 20 0 DBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NCc1ccoc1 ZINC000833895240 605420224 /nfs/dbraw/zinc/42/02/24/605420224.db2.gz RRHNHVTUSOYWQF-SECBINFHSA-N -1 0 304.324 -0.033 20 0 DBADRM Cc1nnc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-])s1 ZINC000833925692 605421310 /nfs/dbraw/zinc/42/13/10/605421310.db2.gz HQBKABKJRGGLEA-ZCFIWIBFSA-N -1 0 322.368 -0.144 20 0 DBADRM NS(=O)(=O)CCCNC(=O)CC[C@H]1CCN(C(=O)[O-])C1 ZINC000833986322 605421959 /nfs/dbraw/zinc/42/19/59/605421959.db2.gz OGIIMYFJQMDGKL-VIFPVBQESA-N -1 0 307.372 -0.439 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833879512 605424940 /nfs/dbraw/zinc/42/49/40/605424940.db2.gz OWJOZCYTSYVNJX-VIFPVBQESA-N -1 0 323.371 -0.684 20 0 DBADRM COCCC(=O)N1CCC(NC(=O)CCNC(=O)[O-])CC1 ZINC000828931000 605430214 /nfs/dbraw/zinc/43/02/14/605430214.db2.gz XBEKBGNHPQEJIQ-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM COCCC(=O)N1CCC(NC(=O)[C@H](C)NC(=O)[O-])CC1 ZINC000828930060 605430357 /nfs/dbraw/zinc/43/03/57/605430357.db2.gz NOPZABMGZVBDSY-VIFPVBQESA-N -1 0 301.343 -0.214 20 0 DBADRM CC(C)[C@H](C(=O)NCCN(C)C(=O)[O-])N1CCCS1(=O)=O ZINC000824058357 605430775 /nfs/dbraw/zinc/43/07/75/605430775.db2.gz ZHIFRBBVHWBHJT-SNVBAGLBSA-N -1 0 321.399 -0.228 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[C@H]1O ZINC000833893504 605432850 /nfs/dbraw/zinc/43/28/50/605432850.db2.gz BLXWSMHSQRMGMQ-KXUCPTDWSA-N -1 0 322.383 -0.666 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)OC[C@@H]1CCS(=O)(=O)C1 ZINC000833986395 605434904 /nfs/dbraw/zinc/43/49/04/605434904.db2.gz AGUILIKMVQTCPO-UWVGGRQHSA-N -1 0 321.351 -0.267 20 0 DBADRM NC(=O)N1CC[C@H](NC(=O)C[C@@H]2CSCCN2C(=O)[O-])C1 ZINC000831199759 605434998 /nfs/dbraw/zinc/43/49/98/605434998.db2.gz IOGFPWRJBPSHEU-DTWKUNHWSA-N -1 0 316.383 -0.259 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCC(C(=O)NCCO)CC1 ZINC000824831969 605435150 /nfs/dbraw/zinc/43/51/50/605435150.db2.gz HVRUOULVNVOIPI-SNVBAGLBSA-N -1 0 315.370 -0.421 20 0 DBADRM CN(CCCC(=O)N1CCC(C(=O)NCCO)CC1)C(=O)[O-] ZINC000828278556 605435236 /nfs/dbraw/zinc/43/52/36/605435236.db2.gz NXPYSRYDWXCHIO-UHFFFAOYSA-N -1 0 315.370 -0.277 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)OC[C@H]2CCS(=O)(=O)C2)C1 ZINC000834285829 605435857 /nfs/dbraw/zinc/43/58/57/605435857.db2.gz SDKYEIYJCOQRIY-BDAKNGLRSA-N -1 0 307.324 -0.657 20 0 DBADRM C[C@@]1(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-])CCCO1 ZINC000833824220 605436016 /nfs/dbraw/zinc/43/60/16/605436016.db2.gz VCMWXDFHBRKDMP-CABZTGNLSA-N -1 0 322.383 -0.257 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)[C@@H](CC(F)F)NC(=O)[O-])cn1 ZINC000833944600 605436652 /nfs/dbraw/zinc/43/66/52/605436652.db2.gz CGFGZWQYLFJUBO-HTQZYQBOSA-N -1 0 306.269 -0.139 20 0 DBADRM Cn1ccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-])c1 ZINC000833952730 605438324 /nfs/dbraw/zinc/43/83/24/605438324.db2.gz LSEJIRFCHWFFGQ-JTQLQIEISA-N -1 0 317.367 -0.288 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)OCC1CCS(=O)(=O)CC1 ZINC000834010858 605438350 /nfs/dbraw/zinc/43/83/50/605438350.db2.gz JJHJQHIDYKQSME-UHFFFAOYSA-N -1 0 321.351 -0.267 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N[C@H](CO)c2ccccc2)C(=O)C1 ZINC000834005706 605438792 /nfs/dbraw/zinc/43/87/92/605438792.db2.gz OOUSWMYZOMOMNK-GFCCVEGCSA-N -1 0 321.333 -0.342 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@@H](OCCO)C2)C1 ZINC000832049500 605439082 /nfs/dbraw/zinc/43/90/82/605439082.db2.gz GFXNMTUBTASYGC-MNOVXSKESA-N -1 0 302.327 -0.635 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H]1[C@@H]1CCCC1=O ZINC000834194074 605439651 /nfs/dbraw/zinc/43/96/51/605439651.db2.gz KALPWELXGPUBKQ-UWVGGRQHSA-N -1 0 311.338 -0.270 20 0 DBADRM O=C([O-])N1CCC(n2cc(C(=O)NC3(CO)CC3)nn2)CC1 ZINC000834014933 605442758 /nfs/dbraw/zinc/44/27/58/605442758.db2.gz NERYGMZNBVUHAC-UHFFFAOYSA-N -1 0 309.326 -0.152 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000826108345 605446075 /nfs/dbraw/zinc/44/60/75/605446075.db2.gz GADGCVNVSBCGLA-OOZYFLPDSA-N -1 0 313.310 -0.589 20 0 DBADRM C[C@]1(CCCC(=O)N[C@@H]2CCN(C(=O)[O-])C2)NC(=O)NC1=O ZINC000825744967 605449177 /nfs/dbraw/zinc/44/91/77/605449177.db2.gz SHIKABHOKZZAIZ-AMIZOPFISA-N -1 0 312.326 -0.377 20 0 DBADRM Cn1cnnc1[C@H]1CCCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000833956372 605452152 /nfs/dbraw/zinc/45/21/52/605452152.db2.gz LXZCGDQOFGSGQK-SNVBAGLBSA-N -1 0 309.326 -0.143 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000828656606 605454664 /nfs/dbraw/zinc/45/46/64/605454664.db2.gz USEJRYKCDZSILX-LPEHRKFASA-N -1 0 300.311 -0.346 20 0 DBADRM C[C@H]1CN(c2ccc(C(=O)NCCO)nn2)CCN1C(=O)[O-] ZINC000826082050 605460992 /nfs/dbraw/zinc/46/09/92/605460992.db2.gz ILQJXBXYKTUMIU-VIFPVBQESA-N -1 0 309.326 -0.613 20 0 DBADRM CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC000833441811 605468715 /nfs/dbraw/zinc/46/87/15/605468715.db2.gz NPTCWFMEHVXMCD-IUCAKERBSA-N -1 0 318.326 -0.816 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])CC1=O ZINC000833698059 605476440 /nfs/dbraw/zinc/47/64/40/605476440.db2.gz XPMVLLBMGXVGHA-UHFFFAOYSA-N -1 0 311.319 -0.315 20 0 DBADRM CC(C)(C)n1cnc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)n1 ZINC000833452170 605479794 /nfs/dbraw/zinc/47/97/94/605479794.db2.gz OSXRTKDTSHZTIV-UHFFFAOYSA-N -1 0 310.314 -0.550 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N(C)CCN(C)C(=O)[O-] ZINC000833934196 605506503 /nfs/dbraw/zinc/50/65/03/605506503.db2.gz BQJYISKUDUTYFW-UHFFFAOYSA-N -1 0 319.339 -0.083 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)CC[C@@H]2CCN(C(=O)[O-])C2)O1 ZINC000833982490 605507052 /nfs/dbraw/zinc/50/70/52/605507052.db2.gz WNJBYKYQVLGBRU-MXWKQRLJSA-N -1 0 313.354 -0.084 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000833434024 605507675 /nfs/dbraw/zinc/50/76/75/605507675.db2.gz NRETZAPGFKAUOP-YUMQZZPRSA-N -1 0 301.295 -0.292 20 0 DBADRM O=C([O-])N1CC(C(=O)N2CCN(C(=O)N3CCCC3)CC2)C1 ZINC000834066216 605509597 /nfs/dbraw/zinc/50/95/97/605509597.db2.gz NSWVURUIAFKEGU-UHFFFAOYSA-N -1 0 310.354 -0.044 20 0 DBADRM COCC1(O)CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000833881596 605511943 /nfs/dbraw/zinc/51/19/43/605511943.db2.gz GNHYWWLRLDMWGD-JTQLQIEISA-N -1 0 301.343 -0.078 20 0 DBADRM O=C([O-])N1CC(C(=O)N2CCN(C(=O)c3cccnc3)CC2)C1 ZINC000834065973 605517701 /nfs/dbraw/zinc/51/77/01/605517701.db2.gz NESUOTUKRUWZNF-UHFFFAOYSA-N -1 0 318.333 -0.024 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CCCC[C@H]1CO ZINC000834004825 605524849 /nfs/dbraw/zinc/52/48/49/605524849.db2.gz IEBANIJPRBWMCG-QWRGUYRKSA-N -1 0 313.354 -0.524 20 0 DBADRM O=C([O-])N1CC[C@H](CNC(=O)Cn2nc3ccccn3c2=O)C1 ZINC000834012613 605532740 /nfs/dbraw/zinc/53/27/40/605532740.db2.gz VCORAWWUKDKION-SNVBAGLBSA-N -1 0 319.321 -0.388 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000780318799 605536763 /nfs/dbraw/zinc/53/67/63/605536763.db2.gz LZVDKVKAHORPKD-UHFFFAOYSA-N -1 0 323.353 -0.088 20 0 DBADRM O=C([O-])N1CC(NC(=O)NCCC2CCS(=O)(=O)CC2)C1 ZINC000834036904 605539502 /nfs/dbraw/zinc/53/95/02/605539502.db2.gz GFNBAHPEDHPGSF-UHFFFAOYSA-N -1 0 319.383 -0.137 20 0 DBADRM NS(=O)(=O)CCNC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000831245274 605539806 /nfs/dbraw/zinc/53/98/06/605539806.db2.gz HJVWTNWJAGKZDM-UWVGGRQHSA-N -1 0 321.399 -0.002 20 0 DBADRM O=C([O-])N1CC[C@@H](CNC(=O)Cc2nc3ncccn3n2)C1 ZINC000834012253 605544634 /nfs/dbraw/zinc/54/46/34/605544634.db2.gz JQPFXWFUJGKCPE-VIFPVBQESA-N -1 0 304.310 -0.217 20 0 DBADRM COCC1(O)CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000833881910 605548031 /nfs/dbraw/zinc/54/80/31/605548031.db2.gz KCWUUFWHEFIOED-ZJUUUORDSA-N -1 0 302.327 -0.901 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000092697428 605557906 /nfs/dbraw/zinc/55/79/06/605557906.db2.gz SYJYUTOTJHBZNN-UHFFFAOYSA-N -1 0 303.344 -0.582 20 0 DBADRM NC(=O)c1cnn2cc(CN3CC[C@@H](NC(=O)[O-])C3)cnc12 ZINC000833987053 605567511 /nfs/dbraw/zinc/56/75/11/605567511.db2.gz WPGKIHMUXUMPFZ-SECBINFHSA-N -1 0 304.310 -0.330 20 0 DBADRM C[C@H](O)CCN(C)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000825520532 605573804 /nfs/dbraw/zinc/57/38/04/605573804.db2.gz AVGCUNQLUQNSKK-JTQLQIEISA-N -1 0 316.358 -0.779 20 0 DBADRM O=C([O-])N[C@H](C(=O)N1CCN(C(=O)CO)CC1)c1ccccc1 ZINC000834252000 605573951 /nfs/dbraw/zinc/57/39/51/605573951.db2.gz UDBDUUQNBGTKCE-ZDUSSCGKSA-N -1 0 321.333 -0.342 20 0 DBADRM O=C([O-])NC1CCN(CC(=O)NCCN2CCOCC2)CC1 ZINC000832386760 605574932 /nfs/dbraw/zinc/57/49/32/605574932.db2.gz LOOKGGNZDOFDFN-UHFFFAOYSA-N -1 0 314.386 -0.833 20 0 DBADRM NC(=O)[C@H]1CCCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000831178655 605583178 /nfs/dbraw/zinc/58/31/78/605583178.db2.gz KOKCQYXVSKAQRK-WDEREUQCSA-N -1 0 313.354 -0.131 20 0 DBADRM O=C([O-])N1CC[C@H](N2CCN(CCN3C(=O)CCC3=O)CC2)C1 ZINC000834083731 605583391 /nfs/dbraw/zinc/58/33/91/605583391.db2.gz KJJDTXZHXRHZHC-LBPRGKRZSA-N -1 0 324.381 -0.495 20 0 DBADRM O=C(CNC(=O)C[C@@H]1CSCCN1C(=O)[O-])NC1CC1 ZINC000831408296 605583570 /nfs/dbraw/zinc/58/35/70/605583570.db2.gz MCGUYXQSBYKHJA-SECBINFHSA-N -1 0 301.368 -0.133 20 0 DBADRM CN(C)C(=O)CN(C)C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000827961364 605586737 /nfs/dbraw/zinc/58/67/37/605586737.db2.gz VITYBGJLDFFKPJ-UHFFFAOYSA-N -1 0 300.359 -0.735 20 0 DBADRM O=C(C[C@@H]1CSCCN1C(=O)[O-])NCCN1CCOCC1 ZINC000831407554 605597395 /nfs/dbraw/zinc/59/73/95/605597395.db2.gz HEVDYTTVAKLXEM-LLVKDONJSA-N -1 0 317.411 -0.080 20 0 DBADRM O=C([O-])NCCN(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000834240574 605605863 /nfs/dbraw/zinc/60/58/63/605605863.db2.gz VEJHEMBHICSWCD-QWRGUYRKSA-N -1 0 306.384 -0.078 20 0 DBADRM CN(CC(C)(CO)CO)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000833691520 605608105 /nfs/dbraw/zinc/60/81/05/605608105.db2.gz DTHWBVGNGMDILQ-UHFFFAOYSA-N -1 0 320.367 -0.665 20 0 DBADRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCO ZINC000832758200 605620618 /nfs/dbraw/zinc/62/06/18/605620618.db2.gz ZKZUTRIRERTWBU-NSHDSACASA-N -1 0 309.322 -0.910 20 0 DBADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NCC(=O)NCCO)C2 ZINC000834004544 605623695 /nfs/dbraw/zinc/62/36/95/605623695.db2.gz DDAXURMFTQLISU-FGWVZKOKSA-N -1 0 313.354 -0.478 20 0 DBADRM Cn1nccc1NC(=O)C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000833964192 605633550 /nfs/dbraw/zinc/63/35/50/605633550.db2.gz VNCUMPXZPWPZQE-VIFPVBQESA-N -1 0 309.326 -0.135 20 0 DBADRM NC(=O)C1(CNC(=O)C[C@@H](NC(=O)[O-])C2CC2)CCOCC1 ZINC000833980239 605638283 /nfs/dbraw/zinc/63/82/83/605638283.db2.gz IDYUJFSHDADVSD-SNVBAGLBSA-N -1 0 313.354 -0.179 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)OCCN2CCOCC2=O)C1 ZINC000834085573 605642843 /nfs/dbraw/zinc/64/28/43/605642843.db2.gz RPBSSFPIXQWNHS-GFCCVEGCSA-N -1 0 304.274 -0.520 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])C1 ZINC000831178886 605644831 /nfs/dbraw/zinc/64/48/31/605644831.db2.gz NDKIFEKMVOCSAS-BDAKNGLRSA-N -1 0 301.368 -0.194 20 0 DBADRM Cn1cc(CCNC(=O)CN2CCC(NC(=O)[O-])CC2)cn1 ZINC000831004599 605646489 /nfs/dbraw/zinc/64/64/89/605646489.db2.gz OGXURKCMRHQVCW-UHFFFAOYSA-N -1 0 309.370 -0.189 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cc2cnn(C)c2)[C@H](C(=O)[O-])C1 ZINC000833710151 605651574 /nfs/dbraw/zinc/65/15/74/605651574.db2.gz ORGKCLSGFYDKBE-MNOVXSKESA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN(C)C(=O)OC ZINC000833708270 605651801 /nfs/dbraw/zinc/65/18/01/605651801.db2.gz PRCNLJBAKMLUQX-RKDXNWHRSA-N -1 0 316.310 -0.451 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CN3CCN2CC3)C1 ZINC000834166366 605652184 /nfs/dbraw/zinc/65/21/84/605652184.db2.gz DXNMRLAQBCFDEE-JHJVBQTASA-N -1 0 310.398 -0.071 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN(C)C(C)=O ZINC000833703845 605652456 /nfs/dbraw/zinc/65/24/56/605652456.db2.gz CMUNXPBZMKKYRX-NXEZZACHSA-N -1 0 300.311 -0.671 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC000833664929 605655503 /nfs/dbraw/zinc/65/55/03/605655503.db2.gz HLEHPVGFYPFQIV-BDAKNGLRSA-N -1 0 321.351 -0.714 20 0 DBADRM O=C([O-])N1CCCC[C@H](NC(=O)NCC2(CO)COC2)C1 ZINC000834022532 605659041 /nfs/dbraw/zinc/65/90/41/605659041.db2.gz OVPQWYMOBQQULA-JTQLQIEISA-N -1 0 301.343 -0.173 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000833867649 605661445 /nfs/dbraw/zinc/66/14/45/605661445.db2.gz WQGYGZGJJXDCDP-MRVPVSSYSA-N -1 0 307.310 -0.154 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCn1ccnn1 ZINC000833704030 605663401 /nfs/dbraw/zinc/66/34/01/605663401.db2.gz DQAZPJWCELIHRB-UWVGGRQHSA-N -1 0 310.310 -0.467 20 0 DBADRM NC(=O)COc1ccc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])cc1 ZINC000833985749 605668436 /nfs/dbraw/zinc/66/84/36/605668436.db2.gz VKVGCKSTMUBVME-VIFPVBQESA-N -1 0 324.293 -0.999 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000833983237 605670091 /nfs/dbraw/zinc/67/00/91/605670091.db2.gz FWWLLYCTOCPIFT-VIFPVBQESA-N -1 0 318.293 -0.078 20 0 DBADRM NC(=O)[C@H]1COCCN1C(=O)CN(C(=O)[O-])c1ccccc1 ZINC000833979874 605671102 /nfs/dbraw/zinc/67/11/02/605671102.db2.gz IVROUWHWTMPCKL-LLVKDONJSA-N -1 0 307.306 -0.116 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000831200297 605679848 /nfs/dbraw/zinc/67/98/48/605679848.db2.gz YYLKZSFCNAHUHY-SSDOTTSWSA-N -1 0 318.355 -0.827 20 0 DBADRM CCNC(=O)NC(=O)CN1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC000833657891 605685001 /nfs/dbraw/zinc/68/50/01/605685001.db2.gz SULDQUSKGTUNMN-IUCAKERBSA-N -1 0 315.326 -0.830 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1=O ZINC000831022067 605687878 /nfs/dbraw/zinc/68/78/78/605687878.db2.gz AQRGGQVHZRZKAN-VIFPVBQESA-N -1 0 322.321 -0.418 20 0 DBADRM Cn1cnn(CC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1=O ZINC000833957675 605692804 /nfs/dbraw/zinc/69/28/04/605692804.db2.gz VMEQFYCTWCFHIX-PBINXNQUSA-N -1 0 309.326 -0.629 20 0 DBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN([C@H]3CCOC3)C2)CC1 ZINC000834115235 605693066 /nfs/dbraw/zinc/69/30/66/605693066.db2.gz ACHYXUHTHWCCKN-JTQLQIEISA-N -1 0 319.383 -0.915 20 0 DBADRM O=C([O-])N1CCN(CC(=O)Nc2ccc(CO)cc2)C(=O)C1 ZINC000834004432 605696927 /nfs/dbraw/zinc/69/69/27/605696927.db2.gz ALIBBCHOSKSKKA-UHFFFAOYSA-N -1 0 307.306 -0.060 20 0 DBADRM O=C([O-])NC1CCN(CC(=O)N2CCC3(C2)OCCO3)CC1 ZINC000832382432 605699187 /nfs/dbraw/zinc/69/91/87/605699187.db2.gz XCKCGPJKTBBLFZ-UHFFFAOYSA-N -1 0 313.354 -0.306 20 0 DBADRM CC(C)[C@@H](NC(=O)CN1CCC(NC(=O)[O-])CC1)C(N)=O ZINC000824129598 605707152 /nfs/dbraw/zinc/70/71/52/605707152.db2.gz RPDCYHBZETUGNT-LLVKDONJSA-N -1 0 300.359 -0.656 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000827264773 605711692 /nfs/dbraw/zinc/71/16/92/605711692.db2.gz DEPWCXBTTPAATP-MRVPVSSYSA-N -1 0 309.388 -0.276 20 0 DBADRM NC(=O)c1cc(CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)on1 ZINC000831215414 605713746 /nfs/dbraw/zinc/71/37/46/605713746.db2.gz KUMWNBSHXBSMLZ-NSHDSACASA-N -1 0 300.246 -0.518 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)C1CCOCC1 ZINC000834005450 605717253 /nfs/dbraw/zinc/71/72/53/605717253.db2.gz FYSIKDUKGOTPRN-UWVGGRQHSA-N -1 0 301.295 -0.362 20 0 DBADRM COC(=O)C[C@H]1CCCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828656519 605718233 /nfs/dbraw/zinc/71/82/33/605718233.db2.gz SSUCZDNGPHMMOF-ZJUUUORDSA-N -1 0 300.311 -0.081 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)OCC(=O)C1CCOCC1 ZINC000834005960 605718623 /nfs/dbraw/zinc/71/86/23/605718623.db2.gz JFCRZMAHOPVLJK-SNVBAGLBSA-N -1 0 301.295 -0.096 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N[C@H](CO)CC(F)(F)F ZINC000834014639 605723649 /nfs/dbraw/zinc/72/36/49/605723649.db2.gz MDXCGGJAYNULLC-BQBZGAKWSA-N -1 0 300.233 -0.205 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N[C@H](CO)CC(F)(F)F)C1 ZINC000834015544 605723685 /nfs/dbraw/zinc/72/36/85/605723685.db2.gz QZAGJNKFRREXCW-NKWVEPMBSA-N -1 0 300.233 -0.205 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC2CN(C(=O)[O-])C2)c1Cl ZINC000833958168 605726395 /nfs/dbraw/zinc/72/63/95/605726395.db2.gz CZHNWTXVKXSLBU-UHFFFAOYSA-N -1 0 308.747 -0.038 20 0 DBADRM O=C([O-])NCCN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000834239741 605729860 /nfs/dbraw/zinc/72/98/60/605729860.db2.gz ORWNCKWCUOANQH-LLVKDONJSA-N -1 0 321.399 -0.620 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000736421220 605732273 /nfs/dbraw/zinc/73/22/73/605732273.db2.gz LIRKQQRFTHPNNB-UWVGGRQHSA-N -1 0 321.399 -0.052 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000823839201 605732319 /nfs/dbraw/zinc/73/23/19/605732319.db2.gz OVOUCXKFUNDIRA-FUXBKTLASA-N -1 0 312.326 -0.521 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCCSCCCO ZINC000831381842 605735758 /nfs/dbraw/zinc/73/57/58/605735758.db2.gz MVDYTWCHIBGPRF-JTQLQIEISA-N -1 0 306.384 -0.013 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000833477792 605736709 /nfs/dbraw/zinc/73/67/09/605736709.db2.gz AMYBLFJVVZLRFU-SNVBAGLBSA-N -1 0 311.342 -0.062 20 0 DBADRM O=C([O-])N1CC(CNC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000834068180 605739254 /nfs/dbraw/zinc/73/92/54/605739254.db2.gz UGMWOWQTZDUMQO-UHFFFAOYSA-N -1 0 310.354 -0.140 20 0 DBADRM O=C([O-])N1CC(CNC(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000834066907 605740508 /nfs/dbraw/zinc/74/05/08/605740508.db2.gz KMUVBCPJVILCEK-UHFFFAOYSA-N -1 0 320.353 -0.082 20 0 DBADRM O=C([O-])N1CC(CNC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000834067755 605740797 /nfs/dbraw/zinc/74/07/97/605740797.db2.gz PJBZBTGDEKCBTJ-UHFFFAOYSA-N -1 0 320.353 -0.082 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCC2(CO)CCOCC2)C1 ZINC000834085086 605743315 /nfs/dbraw/zinc/74/33/15/605743315.db2.gz PLFHSJVZAFIQJV-ZDUSSCGKSA-N -1 0 304.318 -0.016 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCC1(CO)CCOCC1 ZINC000834021858 605743379 /nfs/dbraw/zinc/74/33/79/605743379.db2.gz LBAYXTMNRJYWHR-JTQLQIEISA-N -1 0 302.327 -0.730 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCC1(CO)CCOCC1 ZINC000834021859 605743386 /nfs/dbraw/zinc/74/33/86/605743386.db2.gz LBAYXTMNRJYWHR-SNVBAGLBSA-N -1 0 302.327 -0.730 20 0 DBADRM NC(=O)C1(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])CCC1 ZINC000833980711 605745521 /nfs/dbraw/zinc/74/55/21/605745521.db2.gz LUHDDEKDKNOFCH-MRVPVSSYSA-N -1 0 301.368 -0.004 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1nccn1C(F)F ZINC000833983111 605755760 /nfs/dbraw/zinc/75/57/60/605755760.db2.gz RHDRLHVYJPVAIR-YFKPBYRVSA-N -1 0 305.241 -0.594 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000825837765 605755979 /nfs/dbraw/zinc/75/59/79/605755979.db2.gz JKJZIDRRMXGNQV-IUCAKERBSA-N -1 0 324.337 -0.655 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CC(Oc2ccccc2)C1 ZINC000833979553 605756466 /nfs/dbraw/zinc/75/64/66/605756466.db2.gz GTZYYPWQPJXLFC-NSHDSACASA-N -1 0 307.306 -0.212 20 0 DBADRM Cn1c(Cl)cnc1CNC(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833941549 605756506 /nfs/dbraw/zinc/75/65/06/605756506.db2.gz BJWBYIDIAHZCCB-YFKPBYRVSA-N -1 0 303.706 -0.799 20 0 DBADRM Cc1noc2ncc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])cc12 ZINC000833933349 605759913 /nfs/dbraw/zinc/75/99/13/605759913.db2.gz HIDYRGGOOPKJAW-MRVPVSSYSA-N -1 0 307.266 -0.019 20 0 DBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)CCCC(=O)[O-])cc1 ZINC000833761704 605760511 /nfs/dbraw/zinc/76/05/11/605760511.db2.gz RZVCPGRYYUBHJQ-UHFFFAOYSA-N -1 0 321.333 -0.227 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000833979086 605761368 /nfs/dbraw/zinc/76/13/68/605761368.db2.gz BZECOXJOQCXZLC-NXEZZACHSA-N -1 0 322.321 -0.427 20 0 DBADRM CN(C)c1nc(CNC(=O)[C@@H](CC(N)=O)NC(=O)[O-])cs1 ZINC000833871676 605761372 /nfs/dbraw/zinc/76/13/72/605761372.db2.gz XBTYCTOFJIKBPP-SSDOTTSWSA-N -1 0 315.355 -0.663 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000833981714 605761772 /nfs/dbraw/zinc/76/17/72/605761772.db2.gz WWRPPTWJPYYMPJ-MNOVXSKESA-N -1 0 322.321 -0.427 20 0 DBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2C[C@H](O)C[C@H](O)C2)C1 ZINC000831998803 605762004 /nfs/dbraw/zinc/76/20/04/605762004.db2.gz WSRJHRRNPCAGLV-OUAUKWLOSA-N -1 0 302.327 -0.901 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000833983749 605763200 /nfs/dbraw/zinc/76/32/00/605763200.db2.gz JPKKFRMOULOSCS-YFKPBYRVSA-N -1 0 323.231 -0.105 20 0 DBADRM CN(CCCNC(=O)C(=O)Nc1cccc(C(N)=O)n1)C(=O)[O-] ZINC000833872927 605765495 /nfs/dbraw/zinc/76/54/95/605765495.db2.gz PJCLFHOICLSGHF-UHFFFAOYSA-N -1 0 323.309 -0.765 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000825815700 605767147 /nfs/dbraw/zinc/76/71/47/605767147.db2.gz DTSFYFXAPKIARL-NXEZZACHSA-N -1 0 324.337 -0.806 20 0 DBADRM C=CC(=O)NCCC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC000833371687 605768819 /nfs/dbraw/zinc/76/88/19/605768819.db2.gz JUMYUUWULIUOFD-VHSXEESVSA-N -1 0 312.322 -0.457 20 0 DBADRM C=CC(=O)NCCC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC000833371685 605768999 /nfs/dbraw/zinc/76/89/99/605768999.db2.gz JUMYUUWULIUOFD-UWVGGRQHSA-N -1 0 312.322 -0.457 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CN2CCOCC2)[C@@H](C(=O)[O-])C1 ZINC000833711136 605770503 /nfs/dbraw/zinc/77/05/03/605770503.db2.gz TVWOPUNBLSAKQL-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CN2CCOCC2)[C@H](C(=O)[O-])C1 ZINC000833711135 605770541 /nfs/dbraw/zinc/77/05/41/605770541.db2.gz TVWOPUNBLSAKQL-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM Cn1nc2c(c1NC(=O)C(=O)NCC1CN(C(=O)[O-])C1)CCC2 ZINC000833959298 605777747 /nfs/dbraw/zinc/77/77/47/605777747.db2.gz TURGHIJQJFEFSV-UHFFFAOYSA-N -1 0 321.337 -0.427 20 0 DBADRM Cn1ccc(COC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-])n1 ZINC000833952230 605781403 /nfs/dbraw/zinc/78/14/03/605781403.db2.gz DCFBUCNHIIEWBW-SECBINFHSA-N -1 0 319.339 -0.466 20 0 DBADRM O=C([O-])N1CC(CNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000834038200 605782898 /nfs/dbraw/zinc/78/28/98/605782898.db2.gz LJFGMWMPAYKBLU-UHFFFAOYSA-N -1 0 318.289 -0.444 20 0 DBADRM O=C([O-])N1CC[C@H](N(C(=O)Cn2ccc(=O)[nH]c2=O)C2CC2)C1 ZINC000831921915 605784953 /nfs/dbraw/zinc/78/49/53/605784953.db2.gz KVQJHKGBEMFGQD-JTQLQIEISA-N -1 0 322.321 -0.308 20 0 DBADRM CN(CC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000828089883 605786500 /nfs/dbraw/zinc/78/65/00/605786500.db2.gz GJBYZNYUDYBMNZ-SNVBAGLBSA-N -1 0 319.383 -0.379 20 0 DBADRM NC(=O)Cn1cc(C(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)nn1 ZINC000831200185 605788681 /nfs/dbraw/zinc/78/86/81/605788681.db2.gz VPWUIYSXWUGZEH-SECBINFHSA-N -1 0 322.325 -0.880 20 0 DBADRM NC(=O)Cn1cc(C(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)nn1 ZINC000831200186 605788910 /nfs/dbraw/zinc/78/89/10/605788910.db2.gz VPWUIYSXWUGZEH-VIFPVBQESA-N -1 0 322.325 -0.880 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NCCN1C(=O)CSC1=O ZINC000833806360 605790667 /nfs/dbraw/zinc/79/06/67/605790667.db2.gz DSOSRLATYDHIFY-SSDOTTSWSA-N -1 0 318.355 -0.115 20 0 DBADRM Cc1nccn1CCOC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000833919040 605790786 /nfs/dbraw/zinc/79/07/86/605790786.db2.gz ZILQNARCOXGDEG-UHFFFAOYSA-N -1 0 310.310 -0.443 20 0 DBADRM Cn1nnnc1CCNC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000833961052 605793165 /nfs/dbraw/zinc/79/31/65/605793165.db2.gz PHHCBRZWAPRNPW-BDAKNGLRSA-N -1 0 311.346 -0.512 20 0 DBADRM Cn1nnnc1CCNC(=O)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000833960076 605797455 /nfs/dbraw/zinc/79/74/55/605797455.db2.gz GSZNZPAHXXCXPT-VIFPVBQESA-N -1 0 311.346 -0.416 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NC[C@@H](NC(=O)[O-])C1CC1 ZINC000833869513 605803000 /nfs/dbraw/zinc/80/30/00/605803000.db2.gz BSXMGEDGXWHMJY-LLVKDONJSA-N -1 0 321.399 -0.022 20 0 DBADRM C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)[O-] ZINC000819883079 605807501 /nfs/dbraw/zinc/80/75/01/605807501.db2.gz NDTJQTXNCYYZKB-QMMMGPOBSA-N -1 0 315.351 -0.323 20 0 DBADRM CS[C@H](CO)[C@H](C)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000829711120 605809721 /nfs/dbraw/zinc/80/97/21/605809721.db2.gz SHPFRNQSFVXCMM-LPEHRKFASA-N -1 0 306.384 -0.016 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000833808343 605813141 /nfs/dbraw/zinc/81/31/41/605813141.db2.gz CYRCXCMQLSWQKF-XRVBUDJMSA-N -1 0 324.337 -0.883 20 0 DBADRM COC(=O)CCNC(=O)CN1C[C@H](C)N(C(=O)[O-])C[C@H]1C ZINC000833879277 605814244 /nfs/dbraw/zinc/81/42/44/605814244.db2.gz NWFGEKVLATXFAW-ZJUUUORDSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)CCCN1C(=O)CN(C)C1=O ZINC000833808294 605816714 /nfs/dbraw/zinc/81/67/14/605816714.db2.gz BSENMUIRJQHTIK-SECBINFHSA-N -1 0 314.342 -0.320 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)CCCN1C(=O)CNC1=O ZINC000833809013 605818265 /nfs/dbraw/zinc/81/82/65/605818265.db2.gz IAVOIFMKHRXJFH-QMMMGPOBSA-N -1 0 300.315 -0.662 20 0 DBADRM O=C([O-])N1CCC(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000834042785 605818855 /nfs/dbraw/zinc/81/88/55/605818855.db2.gz ZZZLANYVGZUHEV-UHFFFAOYSA-N -1 0 309.326 -0.354 20 0 DBADRM Cn1nnnc1CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000833960736 605818931 /nfs/dbraw/zinc/81/89/31/605818931.db2.gz MPOOGVCEOBFAPI-NSHDSACASA-N -1 0 318.337 -0.252 20 0 DBADRM C[C@H](OC(=O)C[C@H]1CSCCN1C(=O)[O-])C(=O)NC(N)=O ZINC000825585080 605820793 /nfs/dbraw/zinc/82/07/93/605820793.db2.gz HWTHEZGQYPCIAB-BQBZGAKWSA-N -1 0 319.339 -0.402 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)NC[C@H]1CCCS1(=O)=O)C1CC1 ZINC000834143320 605823977 /nfs/dbraw/zinc/82/39/77/605823977.db2.gz FONZEJBXYJXTAK-ZJUUUORDSA-N -1 0 319.383 -0.091 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)N1CC[C@@H](NC(=O)[O-])C1)CC2 ZINC000833929157 605824367 /nfs/dbraw/zinc/82/43/67/605824367.db2.gz XGJNXBHNTJWXRH-NXEZZACHSA-N -1 0 308.342 -0.047 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000833808364 605826953 /nfs/dbraw/zinc/82/69/53/605826953.db2.gz DFWRNNOUPITKFU-SSDOTTSWSA-N -1 0 323.313 -0.193 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCc3c[nH]nc3C2)C(=O)C1 ZINC000834112775 605835335 /nfs/dbraw/zinc/83/53/35/605835335.db2.gz IWBKWKORSYIOBK-UHFFFAOYSA-N -1 0 307.310 -0.883 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)NC[C@H](NC(=O)[O-])C1CC1 ZINC000833838106 605845804 /nfs/dbraw/zinc/84/58/04/605845804.db2.gz MLKBLWMWFFJUDX-SCZZXKLOSA-N -1 0 319.383 -0.139 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)NC[C@@H](NC(=O)[O-])C2CC2)cn1 ZINC000833948301 605848444 /nfs/dbraw/zinc/84/84/44/605848444.db2.gz XTHJBGHOTGDUMX-MNOVXSKESA-N -1 0 311.342 -0.201 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)NC[C@H](NC(=O)[O-])C2CC2)cn1 ZINC000833948304 605848461 /nfs/dbraw/zinc/84/84/61/605848461.db2.gz XTHJBGHOTGDUMX-WDEREUQCSA-N -1 0 311.342 -0.201 20 0 DBADRM O=C([O-])N1CCCC[C@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000834040412 605852066 /nfs/dbraw/zinc/85/20/66/605852066.db2.gz AZSALRPFGULMJJ-JTQLQIEISA-N -1 0 309.326 -0.212 20 0 DBADRM C[C@]1(C(=O)OCCN2C(=O)CNC2=O)CCCN(C(=O)[O-])C1 ZINC000833821811 605854432 /nfs/dbraw/zinc/85/44/32/605854432.db2.gz FMNTVJPBORVRCA-ZDUSSCGKSA-N -1 0 313.310 -0.139 20 0 DBADRM C[C@]1(C(=O)OCCCS(N)(=O)=O)CCCN(C(=O)[O-])C1 ZINC000833821963 605854448 /nfs/dbraw/zinc/85/44/48/605854448.db2.gz GMGILNXHCJQSBU-NSHDSACASA-N -1 0 308.356 -0.012 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)N1CCS(=O)(=O)CC1)C1CC1 ZINC000834147352 605856640 /nfs/dbraw/zinc/85/66/40/605856640.db2.gz VAXNOQFTQLXQCO-SECBINFHSA-N -1 0 305.356 -0.527 20 0 DBADRM C[C@@]1(C(=O)OCCNS(C)(=O)=O)CCCN(C(=O)[O-])C1 ZINC000833823037 605857690 /nfs/dbraw/zinc/85/76/90/605857690.db2.gz SUNJEZQXZPVWHG-LLVKDONJSA-N -1 0 308.356 -0.141 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NCCN1CCNC(=O)C1 ZINC000833480817 605864850 /nfs/dbraw/zinc/86/48/50/605864850.db2.gz SSZKIWFHNSFEBU-JTQLQIEISA-N -1 0 300.359 -0.783 20 0 DBADRM Cc1[nH]c(C(=O)NCCN2CCNC(=O)C2)c(C)c1C(=O)[O-] ZINC000833741017 605866400 /nfs/dbraw/zinc/86/64/00/605866400.db2.gz XUJSFHARZNXDMF-UHFFFAOYSA-N -1 0 308.338 -0.509 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCO[C@H](CO)C1 ZINC000826099204 605876319 /nfs/dbraw/zinc/87/63/19/605876319.db2.gz AQHVKVJIXNLJSZ-GUBZILKMSA-N -1 0 302.327 -0.291 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)COC1CN(C(=O)[O-])C1 ZINC000833950667 605878979 /nfs/dbraw/zinc/87/89/79/605878979.db2.gz KIHZBMGHYGMTDS-UHFFFAOYSA-N -1 0 311.294 -0.914 20 0 DBADRM CC(C)NC(=O)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820030010 605884383 /nfs/dbraw/zinc/88/43/83/605884383.db2.gz XADQRHFQMUUBGU-UHFFFAOYSA-N -1 0 307.306 -0.036 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CCO1 ZINC000833878489 605909412 /nfs/dbraw/zinc/90/94/12/605909412.db2.gz SUEHSXVVZSIFDP-UWVGGRQHSA-N -1 0 314.342 -0.715 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NC[C@H](C)CNC(=O)[O-])CCO1 ZINC000833878433 605910737 /nfs/dbraw/zinc/91/07/37/605910737.db2.gz RZHGKFMPAZQQOA-IUCAKERBSA-N -1 0 302.331 -0.954 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)N[C@@H](C)CCNC(=O)[O-])CCO1 ZINC000833876736 605916392 /nfs/dbraw/zinc/91/63/92/605916392.db2.gz ISJIVAPRGHGEPB-IUCAKERBSA-N -1 0 302.331 -0.811 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CN1CC[C@H](NC(=O)[O-])C1 ZINC000738702187 605920857 /nfs/dbraw/zinc/92/08/57/605920857.db2.gz VJBKPPHGJYYRFD-VIFPVBQESA-N -1 0 300.359 -0.641 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])ccc1=O ZINC000833949377 605921840 /nfs/dbraw/zinc/92/18/40/605921840.db2.gz HSUFCTKGFQOIMW-SNVBAGLBSA-N -1 0 322.321 -0.418 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000833897940 605921949 /nfs/dbraw/zinc/92/19/49/605921949.db2.gz PIDXCICDDHQLPH-SECBINFHSA-N -1 0 322.321 -0.499 20 0 DBADRM O=C([O-])N[C@@H](CNc1ccc(C(=O)NCCO)nn1)C1CC1 ZINC000834150865 605921947 /nfs/dbraw/zinc/92/19/47/605921947.db2.gz PSNZZLDRTOHWOE-JTQLQIEISA-N -1 0 309.326 -0.343 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)ccc1=O ZINC000833951637 605922392 /nfs/dbraw/zinc/92/23/92/605922392.db2.gz VOMOANAUMDYRNA-SECBINFHSA-N -1 0 308.294 -0.808 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)ccc1=O ZINC000833951639 605922755 /nfs/dbraw/zinc/92/27/55/605922755.db2.gz VOMOANAUMDYRNA-VIFPVBQESA-N -1 0 308.294 -0.808 20 0 DBADRM O=C([O-])N1CCC2(C[C@H]2C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000834040871 605927541 /nfs/dbraw/zinc/92/75/41/605927541.db2.gz FGQUPXBFJNDXKK-VIFPVBQESA-N -1 0 324.337 -0.566 20 0 DBADRM O=C([O-])N[C@H]1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000740594183 605928303 /nfs/dbraw/zinc/92/83/03/605928303.db2.gz OEDCXSZEUDKLMK-LBPRGKRZSA-N -1 0 324.381 -0.591 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000833772182 605928496 /nfs/dbraw/zinc/92/84/96/605928496.db2.gz ZNUBCFKHIGQVCW-QWRGUYRKSA-N -1 0 316.379 -0.220 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)CC[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000833878768 605929755 /nfs/dbraw/zinc/92/97/55/605929755.db2.gz UMAWSYCNMNFUEX-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@@H](CC(C)C)NC(=O)[O-])CCO1 ZINC000833879637 605929787 /nfs/dbraw/zinc/92/97/87/605929787.db2.gz YNNFTQFGUAXRQC-NXEZZACHSA-N -1 0 301.343 -0.358 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@@H](CC(F)F)NC(=O)[O-])CCO1 ZINC000833876130 605931184 /nfs/dbraw/zinc/93/11/84/605931184.db2.gz FPCNJSGKERRBDN-RNFRBKRXSA-N -1 0 309.269 -0.749 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NN1Cc2ccccc2C1=O ZINC000833982888 605935397 /nfs/dbraw/zinc/93/53/97/605935397.db2.gz PFBCWJQWIWRGQF-VIFPVBQESA-N -1 0 306.278 -0.815 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@]2(C)CCCCN2C(=O)[O-])CCO1 ZINC000833875741 605936122 /nfs/dbraw/zinc/93/61/22/605936122.db2.gz ALFZYKASADZLOQ-HZMBPMFUSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000834217436 605937644 /nfs/dbraw/zinc/93/76/44/605937644.db2.gz UZUPZJZQJJZATK-HLTSFMKQSA-N -1 0 312.326 -0.473 20 0 DBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2cccc3c2OCCO3)C1 ZINC000834056739 605941423 /nfs/dbraw/zinc/94/14/23/605941423.db2.gz UXBRFXWCYPATIB-UHFFFAOYSA-N -1 0 321.289 -0.125 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC000834166269 605941787 /nfs/dbraw/zinc/94/17/87/605941787.db2.gz DOOITWWKADRBQC-IVZWLZJFSA-N -1 0 324.337 -0.425 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000740337952 605945186 /nfs/dbraw/zinc/94/51/86/605945186.db2.gz XCTDGFSBJCFHFH-VIFPVBQESA-N -1 0 313.335 -0.184 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000828671102 605945702 /nfs/dbraw/zinc/94/57/02/605945702.db2.gz QLQWIHKQOYLAHC-QMMMGPOBSA-N -1 0 309.344 -0.932 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)NC[C@H](NC(=O)[O-])C2CC2)cn1 ZINC000833945932 605945743 /nfs/dbraw/zinc/94/57/43/605945743.db2.gz KKCNEGLTTBUPJD-WDEREUQCSA-N -1 0 311.342 -0.201 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739984223 605946174 /nfs/dbraw/zinc/94/61/74/605946174.db2.gz QBTIYFRTAMRZGD-QMMMGPOBSA-N -1 0 314.385 -0.907 20 0 DBADRM O=C([O-])NC[C@H]1CCCN(c2ccc(C(=O)NCCO)nn2)C1 ZINC000834217758 605948978 /nfs/dbraw/zinc/94/89/78/605948978.db2.gz YSRJVZIILLLDEQ-SNVBAGLBSA-N -1 0 323.353 -0.317 20 0 DBADRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NC1=O ZINC000832139877 605959693 /nfs/dbraw/zinc/95/96/93/605959693.db2.gz DBTAWKGUAMCCQK-WDEREUQCSA-N -1 0 319.317 -0.213 20 0 DBADRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)N1CCOCC1 ZINC000834096988 605961962 /nfs/dbraw/zinc/96/19/62/605961962.db2.gz LFXMVIUFGODYBZ-MNOVXSKESA-N -1 0 319.383 -0.220 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCCCN1CCNC(=O)C1 ZINC000833469849 605966188 /nfs/dbraw/zinc/96/61/88/605966188.db2.gz ZDDAHXOVODBPTJ-NSHDSACASA-N -1 0 300.359 -0.783 20 0 DBADRM Cc1nnccc1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000833926478 605970190 /nfs/dbraw/zinc/97/01/90/605970190.db2.gz GMGKRUJEGWSIJD-UHFFFAOYSA-N -1 0 307.310 -0.663 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@H](C)NC(=O)[O-])[C@@H](C)C1 ZINC000833880123 605976175 /nfs/dbraw/zinc/97/61/75/605976175.db2.gz TXUISGHROKWMFA-UWVGGRQHSA-N -1 0 301.343 -0.262 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCC(Cn2ccnn2)CC1 ZINC000834244228 605976817 /nfs/dbraw/zinc/97/68/17/605976817.db2.gz YPEBCEQVWJWTFV-UHFFFAOYSA-N -1 0 311.342 -0.199 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N[C@@H](CO)C2CCOCC2)C1 ZINC000834017391 605981594 /nfs/dbraw/zinc/98/15/94/605981594.db2.gz ZTUXKLOUCPKXDN-QWRGUYRKSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])N1CCCN1C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000834288575 605982463 /nfs/dbraw/zinc/98/24/63/605982463.db2.gz HGCROYPEDLWMGX-UHFFFAOYSA-N -1 0 310.310 -0.118 20 0 DBADRM O=C(CN(C(=O)[O-])C1CC1)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000834000579 605985518 /nfs/dbraw/zinc/98/55/18/605985518.db2.gz XVNSXMBNSYRTHG-RTHLEPHNSA-N -1 0 324.337 -0.377 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000833466779 605986744 /nfs/dbraw/zinc/98/67/44/605986744.db2.gz AUNVTPKVOHSIEQ-ZJUUUORDSA-N -1 0 321.399 -0.181 20 0 DBADRM COc1cccc2c1CCN(C(=O)CNC(=O)CNC(=O)[O-])C2 ZINC000833890657 605987475 /nfs/dbraw/zinc/98/74/75/605987475.db2.gz GVYCNTKCOOURFG-UHFFFAOYSA-N -1 0 321.333 -0.036 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC(Cn3ccnn3)CC2)C1 ZINC000834069829 605990254 /nfs/dbraw/zinc/99/02/54/605990254.db2.gz GVEIHICCLCNEHG-UHFFFAOYSA-N -1 0 323.353 -0.105 20 0 DBADRM Cn1nnnc1SCCC(=O)NC[C@H](NC(=O)[O-])C1CC1 ZINC000833959542 605992395 /nfs/dbraw/zinc/99/23/95/605992395.db2.gz ALWBTPDLKVZOQP-QMMMGPOBSA-N -1 0 314.371 -0.145 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)NCCCN2CCNC(=O)C2)o1 ZINC000834249562 605992960 /nfs/dbraw/zinc/99/29/60/605992960.db2.gz YEXQHKRJZHEQTI-UHFFFAOYSA-N -1 0 324.337 -0.401 20 0 DBADRM N=C1NC(=O)C(CC(=O)NC[C@@H](NC(=O)[O-])C2CC2)S1 ZINC000833986125 605994281 /nfs/dbraw/zinc/99/42/81/605994281.db2.gz ISITUCMFQBMLCV-RNFRBKRXSA-N -1 0 300.340 -0.295 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1 ZINC000834160012 605996375 /nfs/dbraw/zinc/99/63/75/605996375.db2.gz RIODUPCRLQGXKF-NEPJUHHUSA-N -1 0 323.353 -0.590 20 0 DBADRM CCS(=O)(=O)CCN(C)CN1C[C@@H](NC(=O)[O-])CC1=O ZINC000833863412 605996826 /nfs/dbraw/zinc/99/68/26/605996826.db2.gz KYUKZSLRCLOIJQ-VIFPVBQESA-N -1 0 307.372 -0.821 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCc1ccc(CO)cc1 ZINC000834043166 606001702 /nfs/dbraw/zinc/00/17/02/606001702.db2.gz RJLUODLGCJLBEO-OLZOCXBDSA-N -1 0 308.334 -0.049 20 0 DBADRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCCNS(C)(=O)=O ZINC000833824878 606006795 /nfs/dbraw/zinc/00/67/95/606006795.db2.gz JQJLJGRDTWZHRS-CABZTGNLSA-N -1 0 321.399 -0.132 20 0 DBADRM O=C([O-])NCc1nnnn1CC(=O)N1CCOC[C@H]1C1CC1 ZINC000834249176 606012546 /nfs/dbraw/zinc/01/25/46/606012546.db2.gz OMPGISKCFBHXJR-VIFPVBQESA-N -1 0 310.314 -0.922 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1C(=O)NCC(=O)N1CCOCC1 ZINC000834216180 606017033 /nfs/dbraw/zinc/01/70/33/606017033.db2.gz QNKRFCAPDXNOSZ-SNVBAGLBSA-N -1 0 314.342 -0.713 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)NCC(=O)N1CCOCC1 ZINC000834133031 606022023 /nfs/dbraw/zinc/02/20/23/606022023.db2.gz NBYHBILUVMNNEX-ZETCQYMHSA-N -1 0 309.269 -0.747 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)NCC(=O)N1CCOCC1 ZINC000833865114 606022616 /nfs/dbraw/zinc/02/26/16/606022616.db2.gz JMBHUUBMGMWLGD-ONGXEEELSA-N -1 0 301.343 -0.356 20 0 DBADRM O=C([O-])N1CCCC[C@@H]1CNC(=O)NC[C@@]1(O)CCOC1 ZINC000834028578 606025045 /nfs/dbraw/zinc/02/50/45/606025045.db2.gz ZYKPIQZSNGZDBK-MFKMUULPSA-N -1 0 301.343 -0.031 20 0 DBADRM O=C([O-])N1CCC(CNC(=O)NC[C@@]2(O)CCOC2)CC1 ZINC000834030062 606025213 /nfs/dbraw/zinc/02/52/13/606025213.db2.gz GIWLCXFRSOIVSI-ZDUSSCGKSA-N -1 0 301.343 -0.173 20 0 DBADRM O=C([O-])N1CCC[C@@H](CNC(=O)NC[C@]2(O)CCOC2)C1 ZINC000834026513 606025427 /nfs/dbraw/zinc/02/54/27/606025427.db2.gz JQBCSIKHVBFPAO-GXFFZTMASA-N -1 0 301.343 -0.173 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N[C@@H](CO)CC2CC2)CC1 ZINC000834041311 606025609 /nfs/dbraw/zinc/02/56/09/606025609.db2.gz IJYCKCRQVPTZAL-GFCCVEGCSA-N -1 0 314.386 -0.258 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCC(=O)N1CCOCC1 ZINC000834021356 606027726 /nfs/dbraw/zinc/02/77/26/606027726.db2.gz YAFIEWRLEFKJSG-MRVPVSSYSA-N -1 0 303.340 -0.986 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCS(=O)(=O)CC1 ZINC000834131161 606035008 /nfs/dbraw/zinc/03/50/08/606035008.db2.gz IZCGRTSCBFLGAT-ZCFIWIBFSA-N -1 0 300.283 -0.465 20 0 DBADRM O=C([O-])NCc1nc(C(=O)NC[C@]2(O)CCOC2)cs1 ZINC000834248280 606035587 /nfs/dbraw/zinc/03/55/87/606035587.db2.gz BUCDPUAIOFGGNA-LLVKDONJSA-N -1 0 301.324 -0.208 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)N1CCCS(=O)(=O)CC1 ZINC000834129758 606044736 /nfs/dbraw/zinc/04/47/36/606044736.db2.gz DUBCMSWOEFJKOU-ZETCQYMHSA-N -1 0 314.310 -0.075 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](CC(F)F)NC(=O)[O-])C1 ZINC000833986249 606046200 /nfs/dbraw/zinc/04/62/00/606046200.db2.gz LVMMGDAVBRQCTH-PHDIDXHHSA-N -1 0 315.298 -0.833 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)[C@H](CC(F)F)NC(=O)[O-] ZINC000833838714 606055368 /nfs/dbraw/zinc/05/53/68/606055368.db2.gz PUSCOYLEFYVEHC-BQBZGAKWSA-N -1 0 314.310 -0.077 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)c2cnc(NC(=O)[O-])cn2)C1 ZINC000833986683 606057569 /nfs/dbraw/zinc/05/75/69/606057569.db2.gz UMTIMTLXODZBFF-LURJTMIESA-N -1 0 315.311 -0.931 20 0 DBADRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCC(=O)NCCO ZINC000833828355 606071226 /nfs/dbraw/zinc/07/12/26/606071226.db2.gz ZZLKIXLYSJHDRS-NOZJJQNGSA-N -1 0 301.343 -0.572 20 0 DBADRM O=C([O-])N1CC[C@H](CNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000834031623 606072520 /nfs/dbraw/zinc/07/25/20/606072520.db2.gz YPJVGZPZRYOXIQ-RKDXNWHRSA-N -1 0 305.356 -0.527 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)[C@H](CC(F)F)NC(=O)[O-])cn1 ZINC000833946685 606073333 /nfs/dbraw/zinc/07/33/33/606073333.db2.gz NWIVPLVKDRDUOH-YUMQZZPRSA-N -1 0 306.269 -0.139 20 0 DBADRM NC(=O)CNC(=S)Nc1cnc2c(c1)C[C@@H](NC(=O)[O-])CC2 ZINC000833985736 606075419 /nfs/dbraw/zinc/07/54/19/606075419.db2.gz VAVPGIZVVOXACD-QMMMGPOBSA-N -1 0 323.378 -0.022 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCOC3(CCC3)C2)C(=O)C1 ZINC000834113139 606095744 /nfs/dbraw/zinc/09/57/44/606095744.db2.gz MUUOJVSGPZTDHN-UHFFFAOYSA-N -1 0 311.338 -0.410 20 0 DBADRM Cn1ccnc1[C@@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])C1 ZINC000833955615 606099052 /nfs/dbraw/zinc/09/90/52/606099052.db2.gz SPUTXSVKXVSNBG-BDAKNGLRSA-N -1 0 309.326 -0.752 20 0 DBADRM Cn1ccnc1[C@H]1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])C1 ZINC000833955616 606099337 /nfs/dbraw/zinc/09/93/37/606099337.db2.gz SPUTXSVKXVSNBG-DTWKUNHWSA-N -1 0 309.326 -0.752 20 0 DBADRM Cc1sc(C(N)=O)cc1NC(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833938372 606099107 /nfs/dbraw/zinc/09/91/07/606099107.db2.gz XEHJDHFQTYVDHZ-LURJTMIESA-N -1 0 314.323 -0.394 20 0 DBADRM O=C(CCOC1CN(C(=O)[O-])C1)OCC(=O)N1CCOCC1 ZINC000833993773 606103680 /nfs/dbraw/zinc/10/36/80/606103680.db2.gz HSQQMQXEKSAJSB-UHFFFAOYSA-N -1 0 316.310 -0.843 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)NCc1n[nH]c(=O)[n-]1 ZINC000823050446 606197572 /nfs/dbraw/zinc/19/75/72/606197572.db2.gz ZTWMQCMZWGSMHW-UHFFFAOYSA-N -1 0 316.281 -0.614 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000821165445 606410853 /nfs/dbraw/zinc/41/08/53/606410853.db2.gz SBTGHKSYNMPMQI-UHFFFAOYSA-N -1 0 313.343 -0.869 20 0 DBADRM Cc1c(Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)cnn1C ZINC000822128473 606809312 /nfs/dbraw/zinc/80/93/12/606809312.db2.gz CUFAXWPXMGHGOC-UHFFFAOYSA-N -1 0 317.313 -0.950 20 0 DBADRM C[C@@H]1CC[C@H](C)N1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820684363 606879332 /nfs/dbraw/zinc/87/93/32/606879332.db2.gz OLOXOHFBNWJSRD-OCAPTIKFSA-N -1 0 305.342 -0.359 20 0 DBADRM C[C@H]1CC[C@H](C)N1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820684364 606879393 /nfs/dbraw/zinc/87/93/93/606879393.db2.gz OLOXOHFBNWJSRD-YUMQZZPRSA-N -1 0 305.342 -0.359 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cc(C)n(C)n2)c1=O ZINC000821565465 607161115 /nfs/dbraw/zinc/16/11/15/607161115.db2.gz UKRXUDUEQGISPY-UHFFFAOYSA-N -1 0 316.325 -0.700 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc2c[nH]nc2c1 ZINC000823136363 607206622 /nfs/dbraw/zinc/20/66/22/607206622.db2.gz XRNAHJBCBXLDPV-UHFFFAOYSA-N -1 0 310.281 -0.027 20 0 DBADRM CN(CCc1ccccn1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821604795 607211360 /nfs/dbraw/zinc/21/13/60/607211360.db2.gz HIUUFKIKZSMIDL-UHFFFAOYSA-N -1 0 313.325 -0.446 20 0 DBADRM CO[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(F)(F)F ZINC000821676778 607216933 /nfs/dbraw/zinc/21/69/33/607216933.db2.gz GZAWMHZMWSOLAG-YFKPBYRVSA-N -1 0 320.235 -0.848 20 0 DBADRM C[C@@H]1SCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@H]1C ZINC000820819303 607218226 /nfs/dbraw/zinc/21/82/26/607218226.db2.gz HEMWKCCKOVANFY-YUMQZZPRSA-N -1 0 308.371 -0.189 20 0 DBADRM CO[C@H](C)CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)C(C)C ZINC000821673416 607219031 /nfs/dbraw/zinc/21/90/31/607219031.db2.gz APCROTHTFWJWOS-SECBINFHSA-N -1 0 308.346 -0.270 20 0 DBADRM CC[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCS1 ZINC000820987900 607219882 /nfs/dbraw/zinc/21/98/82/607219882.db2.gz BXLXMIIICUNZEG-QMMMGPOBSA-N -1 0 308.371 -0.188 20 0 DBADRM CC[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC000820913469 607220793 /nfs/dbraw/zinc/22/07/93/607220793.db2.gz GEWAGUNTVORQOI-SNVBAGLBSA-N -1 0 320.357 -0.220 20 0 DBADRM COC[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccco1 ZINC000821682701 607220920 /nfs/dbraw/zinc/22/09/20/607220920.db2.gz MCNWEFKNNSEAMS-MRVPVSSYSA-N -1 0 318.297 -0.445 20 0 DBADRM CO[C@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(C)(C)C ZINC000821677323 607221036 /nfs/dbraw/zinc/22/10/36/607221036.db2.gz UIFHGZDBFXKOOS-MRVPVSSYSA-N -1 0 308.346 -0.365 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCCC(F)(F)F ZINC000823131957 607221100 /nfs/dbraw/zinc/22/11/00/607221100.db2.gz SFJQOPYAXKOCHQ-UHFFFAOYSA-N -1 0 304.236 -0.083 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCOc2ccncc21 ZINC000823126607 607221894 /nfs/dbraw/zinc/22/18/94/607221894.db2.gz KFDBYBVBCOSRNR-UHFFFAOYSA-N -1 0 313.281 -0.721 20 0 DBADRM C[C@@]1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCS1 ZINC000820612899 607222809 /nfs/dbraw/zinc/22/28/09/607222809.db2.gz MUKBCUPDKGIDDZ-NSHDSACASA-N -1 0 308.371 -0.140 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cc(F)ccc1O ZINC000823131918 607234794 /nfs/dbraw/zinc/23/47/94/607234794.db2.gz QQTPTMCRZXNXJZ-UHFFFAOYSA-N -1 0 304.245 -0.058 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826149749 607778136 /nfs/dbraw/zinc/77/81/36/607778136.db2.gz NVQSGJZIXDAPKO-LURJTMIESA-N -1 0 314.327 -0.711 20 0 DBADRM CC(C)[C@H](O)C(C)(C)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824198401 607824105 /nfs/dbraw/zinc/82/41/05/607824105.db2.gz CAFIXTWPBINUJI-JTQLQIEISA-N -1 0 322.373 -0.383 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCCC[C@@H]1CO ZINC000826425600 607993882 /nfs/dbraw/zinc/99/38/82/607993882.db2.gz KQDGRRSKGWLTLO-RKDXNWHRSA-N -1 0 306.330 -0.875 20 0 DBADRM C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000824385381 608009572 /nfs/dbraw/zinc/00/95/72/608009572.db2.gz RUURBZKCRQTWNG-ZCFIWIBFSA-N -1 0 312.311 -0.597 20 0 DBADRM CCC[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC000825252523 608009914 /nfs/dbraw/zinc/00/99/14/608009914.db2.gz IPXVLYFFTUIZOZ-VIFPVBQESA-N -1 0 306.330 -0.514 20 0 DBADRM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N(C)CC(=O)[O-] ZINC000826255491 608010139 /nfs/dbraw/zinc/01/01/39/608010139.db2.gz ZTVBVKWAIABJAM-UHFFFAOYSA-N -1 0 311.323 -0.120 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCCC(=O)[O-] ZINC000585864887 608010216 /nfs/dbraw/zinc/01/02/16/608010216.db2.gz HCPSYVGLUYRJFS-UHFFFAOYSA-N -1 0 311.323 -0.072 20 0 DBADRM O=C([O-])CNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000826461315 608010795 /nfs/dbraw/zinc/01/07/95/608010795.db2.gz PIJCWJOPYLKVFJ-UHFFFAOYSA-N -1 0 301.259 -0.631 20 0 DBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826461248 608010835 /nfs/dbraw/zinc/01/08/35/608010835.db2.gz MQYOZCYZTXDOGW-VIFPVBQESA-N -1 0 323.334 -0.038 20 0 DBADRM O=C([O-])CCNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000826461287 608010909 /nfs/dbraw/zinc/01/09/09/608010909.db2.gz NSKIFRGMYDECQT-UHFFFAOYSA-N -1 0 315.286 -0.241 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2nccn2C(F)F)c1=O ZINC000826357143 608096229 /nfs/dbraw/zinc/09/62/29/608096229.db2.gz STAGPYSFALXHDE-UHFFFAOYSA-N -1 0 324.251 -0.633 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000826470723 608202448 /nfs/dbraw/zinc/20/24/48/608202448.db2.gz AHEQXCZHXNFYAY-SSDOTTSWSA-N -1 0 314.313 -0.272 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCc2ccc[nH]2)n(C)c1=O ZINC000826355697 608540760 /nfs/dbraw/zinc/54/07/60/608540760.db2.gz JQTYAPPZBSLNMB-UHFFFAOYSA-N -1 0 316.325 -0.753 20 0 DBADRM C[C@@H]1C[C@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000824892903 608801156 /nfs/dbraw/zinc/80/11/56/608801156.db2.gz OAFBLQWWDMJFAP-HTQZYQBOSA-N -1 0 321.341 -0.757 20 0 DBADRM CC(C)[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC000824222752 609401688 /nfs/dbraw/zinc/40/16/88/609401688.db2.gz ACYKEUVSZUMGTI-VIFPVBQESA-N -1 0 306.330 -0.658 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1[C@H]2CN(C(=O)C3CCC3)C[C@H]21 ZINC000976931489 665410253 /nfs/dbraw/zinc/41/02/53/665410253.db2.gz MPQYOODPEQHUDV-JZYVYDRUSA-N -1 0 321.337 -0.938 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCN(C(=O)C2CC2)CC1 ZINC001009703026 665441799 /nfs/dbraw/zinc/44/17/99/665441799.db2.gz JJTVCDYUFQISIV-UHFFFAOYSA-N -1 0 315.333 -0.283 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC/C=C\C(=O)[O-])C1 ZINC000313804657 665437846 /nfs/dbraw/zinc/43/78/46/665437846.db2.gz GQRBUQLFOARENX-XICOKMJESA-N -1 0 320.367 -0.263 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(C(=O)C2CCC2)CC1 ZINC001009733905 665458201 /nfs/dbraw/zinc/45/82/01/665458201.db2.gz AXSSUEBEXIVTGU-UHFFFAOYSA-N -1 0 309.326 -0.840 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(C(=O)C2CCC2)CC1 ZINC001009735957 665461284 /nfs/dbraw/zinc/46/12/84/665461284.db2.gz SLAYUSYLSFVOGX-UHFFFAOYSA-N -1 0 307.310 -0.633 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cccnn1 ZINC000977395799 665465880 /nfs/dbraw/zinc/46/58/80/665465880.db2.gz ZPDQOSUDEWKBJY-SNVBAGLBSA-N -1 0 317.353 -0.059 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001027535904 665479700 /nfs/dbraw/zinc/47/97/00/665479700.db2.gz LOABVSYALDUISB-DCQANWLSSA-N -1 0 321.381 -0.175 20 0 DBADRM O=C(CC1CC1)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001009765030 665499393 /nfs/dbraw/zinc/49/93/93/665499393.db2.gz GNEAXRHUWIUHDQ-UHFFFAOYSA-N -1 0 309.326 -0.840 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1=COCCO1 ZINC000977789666 665500446 /nfs/dbraw/zinc/50/04/46/665500446.db2.gz MZABLBWUXAYDNB-OWUUHHOZSA-N -1 0 321.337 -0.808 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)on1 ZINC000977792744 665500595 /nfs/dbraw/zinc/50/05/95/665500595.db2.gz MDRCFSYYHFFBBB-OWUUHHOZSA-N -1 0 318.337 -0.085 20 0 DBADRM Cc1ncoc1C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000977994719 665512045 /nfs/dbraw/zinc/51/20/45/665512045.db2.gz LAIZCIHTSQUHLM-OWUUHHOZSA-N -1 0 318.337 -0.085 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC000663047486 665512231 /nfs/dbraw/zinc/51/22/31/665512231.db2.gz DAOLNKOYRUHIBV-VHSXEESVSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000978554184 665542993 /nfs/dbraw/zinc/54/29/93/665542993.db2.gz QXGCOIIHRCTCLU-RBXMUDONSA-N -1 0 321.337 -0.437 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001027644790 665546294 /nfs/dbraw/zinc/54/62/94/665546294.db2.gz KOLGIBMHIARVEP-VIFPVBQESA-N -1 0 320.357 -0.706 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)c3nnc[nH]3)C2)c1[O-] ZINC000978726095 665563516 /nfs/dbraw/zinc/56/35/16/665563516.db2.gz WXDUPXUFMVOOCW-OCAPTIKFSA-N -1 0 319.325 -0.520 20 0 DBADRM O=C(Cn1cccn1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001006750910 665587648 /nfs/dbraw/zinc/58/76/48/665587648.db2.gz MHWPFQBVRCWDCG-JTQLQIEISA-N -1 0 305.342 -0.512 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cnon3)C2)c1[O-] ZINC000979174673 665614681 /nfs/dbraw/zinc/61/46/81/665614681.db2.gz YVGFEJSUVVTCBM-OCAPTIKFSA-N -1 0 320.309 -0.255 20 0 DBADRM C[C@H]([NH2+]Cc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC000979234984 665622711 /nfs/dbraw/zinc/62/27/11/665622711.db2.gz QKGALRDILRSKEJ-WCBMZHEXSA-N -1 0 321.341 -0.747 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1cnns1 ZINC001027771585 665632844 /nfs/dbraw/zinc/63/28/44/665632844.db2.gz AYRKVMVCTUUPQR-ZETCQYMHSA-N -1 0 309.355 -0.244 20 0 DBADRM Cc1nn(C)cc1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027797852 665653379 /nfs/dbraw/zinc/65/33/79/665653379.db2.gz WWSUZCFPXKNYFQ-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM CCC(=O)N1C[C@@H]2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000979540966 665666524 /nfs/dbraw/zinc/66/65/24/665666524.db2.gz OHAFEVQDMRRSPS-GUBZILKMSA-N -1 0 323.353 -0.548 20 0 DBADRM CCC(=O)N1C[C@@H]2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000979540964 665666850 /nfs/dbraw/zinc/66/68/50/665666850.db2.gz OHAFEVQDMRRSPS-AEJSXWLSSA-N -1 0 323.353 -0.548 20 0 DBADRM CCC(=O)N1C[C@@H]2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000979540969 665666959 /nfs/dbraw/zinc/66/69/59/665666959.db2.gz OHAFEVQDMRRSPS-LPEHRKFASA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3cnc([O-])n(C)c3=O)[C@H]2C1 ZINC000979558847 665668922 /nfs/dbraw/zinc/66/89/22/665668922.db2.gz HWJUVNJGRQZCJQ-ZMLRMANQSA-N -1 0 320.349 -0.527 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2[C@@H]2CCNC2=O)c1[O-] ZINC001027833034 665684841 /nfs/dbraw/zinc/68/48/41/665684841.db2.gz LSHMZYPIIVTILC-VHSXEESVSA-N -1 0 307.354 -0.494 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2Cc2nncn2C)c1[O-] ZINC001027834113 665685184 /nfs/dbraw/zinc/68/51/84/665685184.db2.gz YEGYMLJGDOMXOD-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM CNC(=O)[C@H](C)N1CCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001027832369 665685824 /nfs/dbraw/zinc/68/58/24/665685824.db2.gz CMAFFYHBZLKJPM-VHSXEESVSA-N -1 0 309.370 -0.248 20 0 DBADRM CNC(=O)[C@@H](C)N1CCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001027832365 665685913 /nfs/dbraw/zinc/68/59/13/665685913.db2.gz CMAFFYHBZLKJPM-NXEZZACHSA-N -1 0 309.370 -0.248 20 0 DBADRM CC(C)C(=O)N1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001010034863 665689161 /nfs/dbraw/zinc/68/91/61/665689161.db2.gz ZDNFAAORHAWBAC-DTWKUNHWSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(=O)N1CC(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001027848133 665695013 /nfs/dbraw/zinc/69/50/13/665695013.db2.gz QYUJLHDMNNIHGU-LLVKDONJSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C(N[C@@H]1CC[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@H]12)c1cn[nH]n1 ZINC000979840891 665692113 /nfs/dbraw/zinc/69/21/13/665692113.db2.gz VDAXNIBCNIMKPD-KXUCPTDWSA-N -1 0 315.337 -0.192 20 0 DBADRM CCC(=O)N[C@@H]1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000979895642 665695160 /nfs/dbraw/zinc/69/51/60/665695160.db2.gz SGEMZDLGPBYQGJ-LPEHRKFASA-N -1 0 323.353 -0.548 20 0 DBADRM CCC(=O)NC1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000979952033 665701417 /nfs/dbraw/zinc/70/14/17/665701417.db2.gz YGOJYDNAAPKOKQ-UHFFFAOYSA-N -1 0 309.326 -0.150 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000980065736 665713236 /nfs/dbraw/zinc/71/32/36/665713236.db2.gz CPYRZXHUXCXJMU-FNCVBFRFSA-N -1 0 321.337 -0.437 20 0 DBADRM Cc1cn(C)nc1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027880479 665721352 /nfs/dbraw/zinc/72/13/52/665721352.db2.gz QBFTWJUUTTYPPG-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H]1CCCN1CC(F)F ZINC000931679554 665746121 /nfs/dbraw/zinc/74/61/21/665746121.db2.gz SYUNUIIPJRSHQV-MRVPVSSYSA-N -1 0 303.317 -0.034 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[nH]3)C2)on1 ZINC001010153396 665752166 /nfs/dbraw/zinc/75/21/66/665752166.db2.gz OGAIQWOALAIYEB-VIFPVBQESA-N -1 0 306.326 -0.591 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1CCCNC1=O ZINC001027948038 665772459 /nfs/dbraw/zinc/77/24/59/665772459.db2.gz XJSMVNMCNRVILA-ZJUUUORDSA-N -1 0 322.369 -0.883 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC000980540068 665772210 /nfs/dbraw/zinc/77/22/10/665772210.db2.gz XBNXCXYUMKYADQ-SNVBAGLBSA-N -1 0 305.342 -0.560 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027949961 665775515 /nfs/dbraw/zinc/77/55/15/665775515.db2.gz HLDBMYSEXUFFAP-MRVPVSSYSA-N -1 0 321.341 -0.358 20 0 DBADRM Cc1ncn(C)c1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027952816 665779184 /nfs/dbraw/zinc/77/91/84/665779184.db2.gz VKHSSWDGLSTHJT-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(NC[C@H]1CCCN1[C@H]1CCNC1=O)c1cnc[nH]c1=O ZINC001027957985 665781705 /nfs/dbraw/zinc/78/17/05/665781705.db2.gz VFWYODPLRMQRID-KOLCDFICSA-N -1 0 305.338 -0.735 20 0 DBADRM CCO[C@@H]1C[C@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980764056 665797143 /nfs/dbraw/zinc/79/71/43/665797143.db2.gz BCYMJPCTPQGTCV-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM Cn1nccc1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980808982 665801150 /nfs/dbraw/zinc/80/11/50/665801150.db2.gz UFYRTKHOUODTLS-UHFFFAOYSA-N -1 0 305.342 -0.408 20 0 DBADRM CN(CCS(C)(=O)=O)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000094299131 665801160 /nfs/dbraw/zinc/80/11/60/665801160.db2.gz ZTXJSGCRDHEUBN-UHFFFAOYSA-N -1 0 310.353 -0.622 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1cnon1)c1n[nH]c(=O)[n-]c1=O ZINC001027999742 665807588 /nfs/dbraw/zinc/80/75/88/665807588.db2.gz OTJUUCJDXUUGQT-MRVPVSSYSA-N -1 0 321.297 -0.940 20 0 DBADRM O=C(C[C@@H]1CCOC1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980878957 665808476 /nfs/dbraw/zinc/80/84/76/665808476.db2.gz GKJGKXZQIMBABO-NSHDSACASA-N -1 0 309.370 -0.029 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN([C@H]3CCN(C)C3=O)CC2)c1[O-] ZINC000980979930 665814041 /nfs/dbraw/zinc/81/40/41/665814041.db2.gz TWXJNEVEHPMPBG-NSHDSACASA-N -1 0 321.381 -0.198 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN(Cc3nncn3C)CC2)c1[O-] ZINC000980981901 665814762 /nfs/dbraw/zinc/81/47/62/665814762.db2.gz MXVKEGZSKHZCBD-UHFFFAOYSA-N -1 0 319.369 -0.100 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN([C@H]3CCCNC3=O)CC2)c1[O-] ZINC000980982017 665815340 /nfs/dbraw/zinc/81/53/40/665815340.db2.gz SGRQRBBCPJDVBS-NSHDSACASA-N -1 0 321.381 -0.150 20 0 DBADRM C[C@@H](C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)n1cncn1 ZINC000981009722 665816290 /nfs/dbraw/zinc/81/62/90/665816290.db2.gz HRXLPZOMLBPOHF-JTQLQIEISA-N -1 0 320.357 -0.603 20 0 DBADRM O=C([O-])c1ccccc1CC(=O)NCC(=O)N1CCOCC1 ZINC000317475943 665820035 /nfs/dbraw/zinc/82/00/35/665820035.db2.gz BWLWJHFWHWHFLW-UHFFFAOYSA-N -1 0 306.318 -0.098 20 0 DBADRM Cc1ccnc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000981081680 665822040 /nfs/dbraw/zinc/82/20/40/665822040.db2.gz MUCWTGWFYQIICM-UHFFFAOYSA-N -1 0 317.353 -0.043 20 0 DBADRM Cc1nnc(CC(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)[nH]1 ZINC000981133736 665823813 /nfs/dbraw/zinc/82/38/13/665823813.db2.gz NDUFHSDKINCIRI-UHFFFAOYSA-N -1 0 320.357 -0.786 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cccc2ncccc21 ZINC000317769276 665842299 /nfs/dbraw/zinc/84/22/99/665842299.db2.gz SSJRLIVQHLGKQG-UHFFFAOYSA-N -1 0 323.330 -0.286 20 0 DBADRM Cc1cnn(C)c1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001028083657 665843528 /nfs/dbraw/zinc/84/35/28/665843528.db2.gz VMBMSHMGPGTJHO-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(c1csnn1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981704520 665868645 /nfs/dbraw/zinc/86/86/45/665868645.db2.gz JBVIYQWRFVVRGL-UHFFFAOYSA-N -1 0 309.355 -0.290 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC3(C2)CCCN([C@@H](C)C(N)=O)C3)c1[O-] ZINC000981713623 665869237 /nfs/dbraw/zinc/86/92/37/665869237.db2.gz AQCHDHGQOQBLQI-JTQLQIEISA-N -1 0 321.381 -0.164 20 0 DBADRM O=C(Cn1cccn1)N1CCN(C(=O)c2cnc[nH]c2=O)CC1 ZINC001010347610 665869999 /nfs/dbraw/zinc/86/99/99/665869999.db2.gz NKOHVTAUOVRPJO-UHFFFAOYSA-N -1 0 316.321 -0.637 20 0 DBADRM Cn1c(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)c[nH]c1=O ZINC000981753784 665872693 /nfs/dbraw/zinc/87/26/93/665872693.db2.gz MDWCVFQEHIHKAY-UHFFFAOYSA-N -1 0 321.341 -0.703 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981757175 665872846 /nfs/dbraw/zinc/87/28/46/665872846.db2.gz RVNYPJGMBZZUAY-ZJUUUORDSA-N -1 0 322.369 -0.944 20 0 DBADRM C[C@H](C(N)=O)N1CCCC2(CN(C(=O)c3cnc[nH]c3=O)C2)C1 ZINC000981832952 665879885 /nfs/dbraw/zinc/87/98/85/665879885.db2.gz MRKZLBCZYUCEQS-SNVBAGLBSA-N -1 0 319.365 -0.406 20 0 DBADRM O=C(c1cn[nH]n1)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC000981867735 665886626 /nfs/dbraw/zinc/88/66/26/665886626.db2.gz LSYFJJRHBLSVSN-UHFFFAOYSA-N -1 0 318.341 -0.633 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC2(C1)CCCN(CCF)C2 ZINC000981872242 665887525 /nfs/dbraw/zinc/88/75/25/665887525.db2.gz OKCAJMDFBZFDRL-UHFFFAOYSA-N -1 0 311.317 -0.210 20 0 DBADRM CCn1cnc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)c1 ZINC001038924029 665900370 /nfs/dbraw/zinc/90/03/70/665900370.db2.gz ZWBSTLOEYUIRPB-VIFPVBQESA-N -1 0 305.342 -0.269 20 0 DBADRM Cn1ncc(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001028198338 665903141 /nfs/dbraw/zinc/90/31/41/665903141.db2.gz DWPVLCOSEFVMQB-QMMMGPOBSA-N -1 0 306.330 -0.967 20 0 DBADRM C/C=C(/C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000936808207 665937457 /nfs/dbraw/zinc/93/74/57/665937457.db2.gz DGQGOFKVWPFIMX-MTMYIVCTSA-N -1 0 319.321 -0.326 20 0 DBADRM CC[C@H](C)C(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001010401074 665935855 /nfs/dbraw/zinc/93/58/55/665935855.db2.gz KLZQHJIXLLIIBX-JTQLQIEISA-N -1 0 322.365 -0.184 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2CC(=O)NC2CC2)c1[O-] ZINC001038166057 663794543 /nfs/dbraw/zinc/79/45/43/663794543.db2.gz VRUIMGJCGKVXPQ-JTQLQIEISA-N -1 0 307.354 -0.494 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](NCc2ccon2)C1 ZINC000969210381 663805778 /nfs/dbraw/zinc/80/57/78/663805778.db2.gz SYTLPMASAVGMMV-MRVPVSSYSA-N -1 0 306.282 -0.725 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](NCc2cnns2)C1 ZINC000969210156 663806024 /nfs/dbraw/zinc/80/60/24/663806024.db2.gz LBHQJRIDUFVZGX-ZCFIWIBFSA-N -1 0 323.338 -0.861 20 0 DBADRM C[C@@H](NC(=O)c1cnns1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969349043 663818991 /nfs/dbraw/zinc/81/89/91/663818991.db2.gz NKTJDIGAXOXAAO-ZCFIWIBFSA-N -1 0 309.355 -0.388 20 0 DBADRM Cc1cc(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC000969360931 663820499 /nfs/dbraw/zinc/82/04/99/663820499.db2.gz DLKXRFSOGNRNOZ-SECBINFHSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001020482658 663821638 /nfs/dbraw/zinc/82/16/38/663821638.db2.gz DZENXQOTLOQJQK-JBDRJPRFSA-N -1 0 321.337 -0.342 20 0 DBADRM CCn1cc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC000969416681 663828353 /nfs/dbraw/zinc/82/83/53/663828353.db2.gz BOFPBYSIOMDYQM-VIFPVBQESA-N -1 0 319.369 -0.023 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN([C@@H]3CCN(C)C3=O)C2)c1[O-] ZINC000969500050 663839070 /nfs/dbraw/zinc/83/90/70/663839070.db2.gz GENICXZRNOVZCU-GZMMTYOYSA-N -1 0 321.381 -0.295 20 0 DBADRM CNC(=O)[C@H](C)N1CC([C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000969500082 663839087 /nfs/dbraw/zinc/83/90/87/663839087.db2.gz GRWJRCQDFXZULM-APPZFPTMSA-N -1 0 309.370 -0.392 20 0 DBADRM C[C@H](NC(=O)c1cncnc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969538523 663842374 /nfs/dbraw/zinc/84/23/74/663842374.db2.gz HWDZYPMKFQQTJJ-QMMMGPOBSA-N -1 0 303.326 -0.449 20 0 DBADRM CC1(C(=O)N[C@@H]2CN(C(=O)c3cnc[nH]c3=O)C[C@@H]2O)CCC1 ZINC000969560683 663843944 /nfs/dbraw/zinc/84/39/44/663843944.db2.gz BPUDXLISEUEQKY-MNOVXSKESA-N -1 0 320.349 -0.326 20 0 DBADRM C[C@@H](NC(=O)C1CCC(O)CC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969569825 663845570 /nfs/dbraw/zinc/84/55/70/663845570.db2.gz SIHWIKXOWPNDDF-GRZMOONWSA-N -1 0 323.397 -0.002 20 0 DBADRM COCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nc[nH]c1=O ZINC000969679820 663855619 /nfs/dbraw/zinc/85/56/19/663855619.db2.gz DQXBUAKNHXDSHP-PHIMTYICSA-N -1 0 320.349 -0.048 20 0 DBADRM C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)CCC(=O)NC1 ZINC000969675541 663855756 /nfs/dbraw/zinc/85/57/56/663855756.db2.gz UOSJTUCVGYFBKJ-OTYXRUKQSA-N -1 0 322.369 -0.883 20 0 DBADRM CC(=O)N1CC[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)[C@H](C)C1 ZINC001020645671 663882836 /nfs/dbraw/zinc/88/28/36/663882836.db2.gz PVPBLBJNSBIZQW-MWLCHTKSSA-N -1 0 322.365 -0.280 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCC[C@H](N(C)C)C(F)(F)F ZINC000932464064 663894255 /nfs/dbraw/zinc/89/42/55/663894255.db2.gz UAMFZDHBWSHVJK-QMMMGPOBSA-N -1 0 315.292 -0.321 20 0 DBADRM Cc1nnccc1C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970059343 663896961 /nfs/dbraw/zinc/89/69/61/663896961.db2.gz NMNYRYAZURQWGA-MRVPVSSYSA-N -1 0 317.353 -0.141 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(Cc2ccon2)C1 ZINC000970057282 663897184 /nfs/dbraw/zinc/89/71/84/663897184.db2.gz ATLYROBUFBJRIR-ZETCQYMHSA-N -1 0 320.309 -0.479 20 0 DBADRM CCC(=O)N1CC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC001020868102 663914743 /nfs/dbraw/zinc/91/47/43/663914743.db2.gz YROJZRVTJXDLMB-GXSJLCMTSA-N -1 0 320.349 -0.431 20 0 DBADRM CCCC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001020934581 663924564 /nfs/dbraw/zinc/92/45/64/663924564.db2.gz YUHLFDBAUDCTSQ-DTWKUNHWSA-N -1 0 321.337 -0.244 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCCc2nc(C)ncc21 ZINC000806233948 663934102 /nfs/dbraw/zinc/93/41/02/663934102.db2.gz AJYIPNKDFHELGM-GFCCVEGCSA-N -1 0 308.338 -0.027 20 0 DBADRM O=C(NC[C@H]1CCN1CCn1cncn1)c1ncccc1O ZINC001038183209 663935712 /nfs/dbraw/zinc/93/57/12/663935712.db2.gz HPAYROGHQHXNKS-LLVKDONJSA-N -1 0 302.338 -0.117 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3ccnn3C)CC2)c1[O-] ZINC001010619784 663937094 /nfs/dbraw/zinc/93/70/94/663937094.db2.gz NHKMKFYBPZUBHZ-UHFFFAOYSA-N -1 0 318.337 -0.245 20 0 DBADRM C[C@@H](NC(=O)c1cn(C)c(=O)[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970368247 663977751 /nfs/dbraw/zinc/97/77/51/663977751.db2.gz BWEMIDIQMSALFF-SSDOTTSWSA-N -1 0 321.341 -0.800 20 0 DBADRM O=C([O-])CCCCNC(=O)CSCC(=O)N1CCOCC1 ZINC000070198288 664004708 /nfs/dbraw/zinc/00/47/08/664004708.db2.gz CPLZIQGSWLUVOW-UHFFFAOYSA-N -1 0 318.395 -0.051 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000970554745 664006827 /nfs/dbraw/zinc/00/68/27/664006827.db2.gz NVJNSIVEZYZTAL-QMMMGPOBSA-N -1 0 305.342 -0.208 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCOC[C@H]2[C@@H]2CCCO2)n1 ZINC000909856350 674581685 /nfs/dbraw/zinc/58/16/85/674581685.db2.gz RJCSJNSAKUAOBA-RYUDHWBXSA-N -1 0 309.322 -0.012 20 0 DBADRM COCC(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001021398149 664027148 /nfs/dbraw/zinc/02/71/48/664027148.db2.gz NJWQNQQQDFLQNU-VHSXEESVSA-N -1 0 308.338 -0.257 20 0 DBADRM CCn1nccc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038193693 664033931 /nfs/dbraw/zinc/03/39/31/664033931.db2.gz VIZLMISNFXSPBZ-VIFPVBQESA-N -1 0 305.342 -0.269 20 0 DBADRM CC(C)C(=O)N1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000954951015 664038448 /nfs/dbraw/zinc/03/84/48/664038448.db2.gz JACMRDWAPMBEDZ-UHFFFAOYSA-N -1 0 308.338 -0.575 20 0 DBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2cnn(C)c2C)CC1 ZINC000813955187 664061834 /nfs/dbraw/zinc/06/18/34/664061834.db2.gz CHGQARYKMCFSIS-UHFFFAOYSA-N -1 0 301.324 -0.513 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]3CN(CC(N)=O)CC[C@H]32)c1[O-] ZINC001021566485 664070119 /nfs/dbraw/zinc/07/01/19/664070119.db2.gz KAQSNVAJXISMBY-WDEREUQCSA-N -1 0 321.381 -0.164 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]3CN(CC(N)=O)CC[C@@H]32)c1[O-] ZINC001021566482 664070315 /nfs/dbraw/zinc/07/03/15/664070315.db2.gz KAQSNVAJXISMBY-MNOVXSKESA-N -1 0 321.381 -0.164 20 0 DBADRM CCC(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000970963393 664084466 /nfs/dbraw/zinc/08/44/66/664084466.db2.gz MIXFIUAUXMSJEI-HTQZYQBOSA-N -1 0 307.310 -0.634 20 0 DBADRM Cc1cnc(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC000971014778 664094180 /nfs/dbraw/zinc/09/41/80/664094180.db2.gz LKTRFZZTJJWDSC-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC000971017398 664094394 /nfs/dbraw/zinc/09/43/94/664094394.db2.gz FEJYSLSXINZASK-VIFPVBQESA-N -1 0 309.326 -0.569 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)C1(C(=O)OC)CC1 ZINC000811141496 664101745 /nfs/dbraw/zinc/10/17/45/664101745.db2.gz MCKCKSNVJMQXDH-UHFFFAOYSA-N -1 0 321.351 -0.415 20 0 DBADRM CC(C)(CNC(=O)c1csc(C(=O)[O-])n1)NS(C)(=O)=O ZINC000721453938 664106079 /nfs/dbraw/zinc/10/60/79/664106079.db2.gz QHFOMWUJQMQSFW-UHFFFAOYSA-N -1 0 321.380 -0.101 20 0 DBADRM C/C=C(/C)C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001010944067 664124428 /nfs/dbraw/zinc/12/44/28/664124428.db2.gz PYPFNYNWZPHRLX-BAQGIRSFSA-N -1 0 307.310 -0.467 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC000971242713 664128717 /nfs/dbraw/zinc/12/87/17/664128717.db2.gz SCOVEGITTLDMJH-SNVBAGLBSA-N -1 0 306.326 -0.226 20 0 DBADRM CN(C(=O)CCSCC(=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000910033659 674591530 /nfs/dbraw/zinc/59/15/30/674591530.db2.gz OVZUNGQJANQWGJ-VIFPVBQESA-N -1 0 324.424 -0.313 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC(C)(C(=O)[O-])C2)C1 ZINC000910055649 674591726 /nfs/dbraw/zinc/59/17/26/674591726.db2.gz OBJRKYFHWAAAHK-JTQLQIEISA-N -1 0 318.395 -0.019 20 0 DBADRM COCCn1cc(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)nn1 ZINC000910148231 674594903 /nfs/dbraw/zinc/59/49/03/674594903.db2.gz QUANEBLYGMWFKP-VIFPVBQESA-N -1 0 314.367 -0.186 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000971338882 664142880 /nfs/dbraw/zinc/14/28/80/664142880.db2.gz YWAUQSMPTSTDDK-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)Cc3cn(C)nn3)C2)c1[O-] ZINC000971368104 664149355 /nfs/dbraw/zinc/14/93/55/664149355.db2.gz YTXSXGXWUVJXPY-LLVKDONJSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC000971416971 664162938 /nfs/dbraw/zinc/16/29/38/664162938.db2.gz GQRHGYOJKGTWLV-JTQLQIEISA-N -1 0 320.357 -0.775 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)CCc2ncc[nH]2)C1 ZINC000971431903 664168997 /nfs/dbraw/zinc/16/89/97/664168997.db2.gz FKOKRDROOGYXLH-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N2CCSC[C@H](C(=O)[O-])C2)cn1 ZINC000910148982 674596228 /nfs/dbraw/zinc/59/62/28/674596228.db2.gz ZQSUXBKPAWABMU-MNOVXSKESA-N -1 0 313.379 -0.400 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000910195759 674597251 /nfs/dbraw/zinc/59/72/51/674597251.db2.gz NYEGNTUWFITSKD-SECBINFHSA-N -1 0 304.368 -0.266 20 0 DBADRM Cc1c[nH]nc1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000991243529 674597642 /nfs/dbraw/zinc/59/76/42/674597642.db2.gz UJPARNSBFKTBFE-UHFFFAOYSA-N -1 0 304.310 -0.290 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cn1C ZINC000402512343 664190834 /nfs/dbraw/zinc/19/08/34/664190834.db2.gz HBNCBOBWTNOQNO-SNVBAGLBSA-N -1 0 313.339 -0.434 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@](C)(C(=O)[O-])C1 ZINC000910321348 674602262 /nfs/dbraw/zinc/60/22/62/674602262.db2.gz NYTBSPWCCHSGFO-BXKDBHETSA-N -1 0 302.352 -0.390 20 0 DBADRM Cc1c(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001022180398 664231863 /nfs/dbraw/zinc/23/18/63/664231863.db2.gz PCBHMFXFJGRERX-PHIMTYICSA-N -1 0 319.369 -0.468 20 0 DBADRM O=C(N[C@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1)c1cc2n(n1)CCC2 ZINC001022170340 664231962 /nfs/dbraw/zinc/23/19/62/664231962.db2.gz VHWSCTRCORSUIV-DTORHVGOSA-N -1 0 317.353 -0.296 20 0 DBADRM C[C@]1(C(=O)[O-])CN(C(=O)CC(=O)NCC(F)(F)F)CCO1 ZINC000910323360 674603447 /nfs/dbraw/zinc/60/34/47/674603447.db2.gz GUODXHNMAFLYJY-SNVBAGLBSA-N -1 0 312.244 -0.243 20 0 DBADRM CCCC(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022255817 664248716 /nfs/dbraw/zinc/24/87/16/664248716.db2.gz UTLKHAVXIPZQCE-DTWKUNHWSA-N -1 0 321.337 -0.244 20 0 DBADRM CC(=O)N1C[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC001022340063 664262688 /nfs/dbraw/zinc/26/26/88/664262688.db2.gz FBFPWKULBRWLAJ-GXSJLCMTSA-N -1 0 306.322 -0.821 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C2CC2)cc1C(N)=O ZINC000176079056 664267930 /nfs/dbraw/zinc/26/79/30/664267930.db2.gz FNLQTHWMPBHJRV-ZJUUUORDSA-N -1 0 311.363 -0.025 20 0 DBADRM COCC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC000971835007 664271395 /nfs/dbraw/zinc/27/13/95/664271395.db2.gz OHDGYCJZURZOIB-NXEZZACHSA-N -1 0 308.338 -0.257 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](O)C2)C[C@H]1C1CC1 ZINC000926283621 664277100 /nfs/dbraw/zinc/27/71/00/664277100.db2.gz JGLMXIULWCHLRK-GRYCIOLGSA-N -1 0 310.350 -0.461 20 0 DBADRM CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001022465263 664284506 /nfs/dbraw/zinc/28/45/06/664284506.db2.gz LKGBFIRUHKQWAJ-KXNHARMFSA-N -1 0 323.397 -0.340 20 0 DBADRM Cc1n[nH]cc1C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000972053816 664321711 /nfs/dbraw/zinc/32/17/11/664321711.db2.gz VGJYZTORRSVAMF-VIFPVBQESA-N -1 0 305.342 -0.112 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000910480403 674611256 /nfs/dbraw/zinc/61/12/56/674611256.db2.gz QTNXVZKWZXLVJG-AWEZNQCLSA-N -1 0 308.338 -0.007 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CSC1(C)C ZINC000910489056 674611521 /nfs/dbraw/zinc/61/15/21/674611521.db2.gz AVTNUASWXXBTJH-SECBINFHSA-N -1 0 318.395 -0.054 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CCSC1 ZINC000910489627 674612075 /nfs/dbraw/zinc/61/20/75/674612075.db2.gz LHFIWVCEFHUAQT-SECBINFHSA-N -1 0 304.368 -0.442 20 0 DBADRM CCN(C(=O)c1ccc(=O)[nH]n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949618849 664333158 /nfs/dbraw/zinc/33/31/58/664333158.db2.gz OGUQQYBHAMLMFI-UHFFFAOYSA-N -1 0 319.325 -0.648 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC000972112365 664333251 /nfs/dbraw/zinc/33/32/51/664333251.db2.gz PHDDKQQBUXKPJJ-ZJUUUORDSA-N -1 0 322.369 -0.836 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC000972156603 664341567 /nfs/dbraw/zinc/34/15/67/664341567.db2.gz PHDDKQQBUXKPJJ-NXEZZACHSA-N -1 0 322.369 -0.836 20 0 DBADRM Cc1ncccc1CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000910492999 674613395 /nfs/dbraw/zinc/61/33/95/674613395.db2.gz AASWECHPISYCND-LBPRGKRZSA-N -1 0 305.334 -0.018 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NC[C@]12C[C@H]1COC21CCC1 ZINC000910493920 674613726 /nfs/dbraw/zinc/61/37/26/674613726.db2.gz COZZZHQSUIOEFH-IINYFYTJSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000910497848 674614127 /nfs/dbraw/zinc/61/41/27/674614127.db2.gz ROWIDXVQOLQTET-SSLNLQFTSA-N -1 0 322.361 -0.008 20 0 DBADRM CC(C)C(=O)N1CC[C@]2(C1)CN(Cc1n[nH]c(=O)[n-]1)CCO2 ZINC000972264725 664358920 /nfs/dbraw/zinc/35/89/20/664358920.db2.gz KQMVVYCVKMFDJV-CQSZACIVSA-N -1 0 309.370 -0.030 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[C@@H]1C(=O)[O-] ZINC000910497445 674614668 /nfs/dbraw/zinc/61/46/68/674614668.db2.gz RABLARWLCASVAY-LMEMUVGESA-N -1 0 322.361 -0.152 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](C)CCC(=O)[O-] ZINC000262140604 664367183 /nfs/dbraw/zinc/36/71/83/664367183.db2.gz LYTCNFGVVPTQAP-SECBINFHSA-N -1 0 310.372 -0.688 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000910530138 674615631 /nfs/dbraw/zinc/61/56/31/674615631.db2.gz KRIYQRXIBKDIAR-PRHODGIISA-N -1 0 302.352 -0.654 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC000972371153 664377231 /nfs/dbraw/zinc/37/72/31/664377231.db2.gz VHGPCEDKPCFEGF-JTQLQIEISA-N -1 0 320.357 -0.706 20 0 DBADRM C/C=C(\C)C(=O)N1CC([C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006492402 664387218 /nfs/dbraw/zinc/38/72/18/664387218.db2.gz JGLXVKSXFDGTOF-IPWDFOCMSA-N -1 0 321.337 -0.174 20 0 DBADRM CC[C@@H]1CN(C(=O)[C@H](O)Cc2cnn(C)c2)C[C@@]1(F)C(=O)[O-] ZINC000910550590 674617849 /nfs/dbraw/zinc/61/78/49/674617849.db2.gz YWALCXUXDDCGJZ-GYSYKLTISA-N -1 0 313.329 -0.015 20 0 DBADRM CN1CCN(C)CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000888986685 664425272 /nfs/dbraw/zinc/42/52/72/664425272.db2.gz QHNYURWIARDHPR-UHFFFAOYSA-N -1 0 314.415 -0.692 20 0 DBADRM COC1(C(F)(F)F)CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000889073921 664450936 /nfs/dbraw/zinc/45/09/36/664450936.db2.gz JZNOZDQBEPTRGR-UHFFFAOYSA-N -1 0 307.228 -0.111 20 0 DBADRM O=C(NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnccn1 ZINC001023208541 664469030 /nfs/dbraw/zinc/46/90/30/664469030.db2.gz HJCHWTYCCJXJBK-JTQLQIEISA-N -1 0 317.353 -0.058 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)Cn3nc4ccccn4c3=O)C[C@@H]21 ZINC000910794914 674643757 /nfs/dbraw/zinc/64/37/57/674643757.db2.gz MPORBAXPUAYBIJ-GDGBQDQQSA-N -1 0 302.290 -0.715 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(=O)c1 ZINC000910796869 674643778 /nfs/dbraw/zinc/64/37/78/674643778.db2.gz GHWGDVKOTUHMCO-IQDSPRDJSA-N -1 0 320.345 -0.303 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C3CC3)C[C@H]2O)c1[O-] ZINC001023413640 664824199 /nfs/dbraw/zinc/82/41/99/664824199.db2.gz PCTMSBIHQJZNQW-WHGOUJPWSA-N -1 0 322.365 -0.229 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC3(C)C)C[C@H]2O)c1[O-] ZINC001023412962 664824660 /nfs/dbraw/zinc/82/46/60/664824660.db2.gz AUDJZXBTAJESLS-OPRDCNLKSA-N -1 0 322.365 -0.229 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001023421305 664825258 /nfs/dbraw/zinc/82/52/58/664825258.db2.gz YLLHZMORBAPTOF-GWOFURMSSA-N -1 0 322.365 -0.229 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC34CC4)C[C@H]2O)c1[O-] ZINC001023421191 664825354 /nfs/dbraw/zinc/82/53/54/664825354.db2.gz XGCHVBBXUNWMLE-OPRDCNLKSA-N -1 0 320.349 -0.475 20 0 DBADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000744136912 664828496 /nfs/dbraw/zinc/82/84/96/664828496.db2.gz KUDHMKSCHHZKPS-UHFFFAOYSA-N -1 0 303.344 -0.988 20 0 DBADRM C[C@](O)(CNC(=O)CCOc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000262375143 664841363 /nfs/dbraw/zinc/84/13/63/664841363.db2.gz JGXZGHSTZNEGBJ-AWEZNQCLSA-N -1 0 310.306 -0.494 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000947577489 664843483 /nfs/dbraw/zinc/84/34/83/664843483.db2.gz OBUKRZHYBDRJPL-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000972619396 664845738 /nfs/dbraw/zinc/84/57/38/664845738.db2.gz PPSFEHVYRYHCRQ-SECBINFHSA-N -1 0 305.342 -0.491 20 0 DBADRM CCn1cc(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC000972633052 664849947 /nfs/dbraw/zinc/84/99/47/664849947.db2.gz ZAZFFHNUDADBKN-SECBINFHSA-N -1 0 320.357 -0.532 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NCCCC(=O)[O-] ZINC000263370551 664856621 /nfs/dbraw/zinc/85/66/21/664856621.db2.gz MSLKUUUVGWAMMS-VHSXEESVSA-N -1 0 321.399 -0.132 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)c(C)nn1 ZINC001038294977 664857008 /nfs/dbraw/zinc/85/70/08/664857008.db2.gz HVQMVSMOLMXHJB-SNVBAGLBSA-N -1 0 317.353 -0.079 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2OCC[C@@H]2N1S(=O)(=O)C[C@H]1CCCO1 ZINC000926597716 664859626 /nfs/dbraw/zinc/85/96/26/664859626.db2.gz VWCODCWCQOCJCL-YTWAJWBKSA-N -1 0 305.352 -0.188 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CC(O)(c2ccccc2)C1 ZINC000287985616 664865924 /nfs/dbraw/zinc/86/59/24/664865924.db2.gz AWDDKQDWUIRYMR-UHFFFAOYSA-N -1 0 306.347 -0.080 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C ZINC001011350827 664878621 /nfs/dbraw/zinc/87/86/21/664878621.db2.gz ZFWQLMRGOGXIET-VXNVDRBHSA-N -1 0 304.310 -0.843 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](NC(=O)C2CCCC2)C1 ZINC000972881985 664885703 /nfs/dbraw/zinc/88/57/03/664885703.db2.gz APJPRZCQBHXQMB-MGCOHNPYSA-N -1 0 323.353 -0.357 20 0 DBADRM O=C(CC1CC1)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000972887635 664887225 /nfs/dbraw/zinc/88/72/25/664887225.db2.gz VAZWARMPBXJUPR-KYZUINATSA-N -1 0 309.326 -0.747 20 0 DBADRM O=C(N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccco1 ZINC000972903127 664890913 /nfs/dbraw/zinc/89/09/13/664890913.db2.gz RKNCHJRIWVOAIA-LJGSYFOKSA-N -1 0 319.277 -0.433 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000972920927 664893565 /nfs/dbraw/zinc/89/35/65/664893565.db2.gz AAPUVJCUPLYSOZ-WCTZXXKLSA-N -1 0 307.310 -0.684 20 0 DBADRM Cc1nc(C)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)o1 ZINC001024544611 664895832 /nfs/dbraw/zinc/89/58/32/664895832.db2.gz CEBYKPAKRKKOSW-NXEZZACHSA-N -1 0 320.309 -0.975 20 0 DBADRM Cn1[nH]c(CN2CC[C@@H]2CNC(=O)c2ccns2)nc1=O ZINC001038305775 664900311 /nfs/dbraw/zinc/90/03/11/664900311.db2.gz KTACGQYJIUUKIA-MRVPVSSYSA-N -1 0 308.367 -0.431 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001024588501 664901251 /nfs/dbraw/zinc/90/12/51/664901251.db2.gz BFZAWQCXZBJHCS-SECBINFHSA-N -1 0 320.357 -0.279 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN([C@H]2CCN(C)C2=O)C1 ZINC000949874144 664929716 /nfs/dbraw/zinc/92/97/16/664929716.db2.gz COLZQEFTXPJGQF-NSHDSACASA-N -1 0 321.381 -0.199 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cnn2c1CCC2 ZINC001038320786 664941609 /nfs/dbraw/zinc/94/16/09/664941609.db2.gz BHYKKQUDZZWHQT-SECBINFHSA-N -1 0 317.353 -0.343 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCCCC2)n(C)c1=O ZINC000892598881 664949606 /nfs/dbraw/zinc/94/96/06/664949606.db2.gz MXXAIVFYOSMPKZ-UHFFFAOYSA-N -1 0 302.356 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CN([C@H](C)C(N)=O)CC2(C)C)c1[O-] ZINC000973043559 664951913 /nfs/dbraw/zinc/95/19/13/664951913.db2.gz ONCZDSGIUXHMAF-BDAKNGLRSA-N -1 0 309.370 -0.262 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3cn[nH]n3)C2)c1[O-] ZINC000973178107 665001135 /nfs/dbraw/zinc/00/11/35/665001135.db2.gz MODDMCOWYPJUCV-LJGSYFOKSA-N -1 0 305.298 -0.767 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)c1[O-] ZINC000973180441 665001484 /nfs/dbraw/zinc/00/14/84/665001484.db2.gz LGCOHVYWBUQJIW-KYZUINATSA-N -1 0 319.325 -0.908 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](NC(=O)c3[nH]nnc3C)C2)c1[O-] ZINC000973179666 665001567 /nfs/dbraw/zinc/00/15/67/665001567.db2.gz YQCHEFKMEXGARW-ZKCHVHJHSA-N -1 0 319.325 -0.459 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973181372 665001747 /nfs/dbraw/zinc/00/17/47/665001747.db2.gz ITRDNNZIAYZJFV-IWSPIJDZSA-N -1 0 323.353 -0.501 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000936201819 665022958 /nfs/dbraw/zinc/02/29/58/665022958.db2.gz BVSBNOGDYYFXPD-IWSPIJDZSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cc[nH]c1 ZINC000973357320 665026274 /nfs/dbraw/zinc/02/62/74/665026274.db2.gz ZLCWGHPNEFVXHM-ZKCHVHJHSA-N -1 0 318.293 -0.698 20 0 DBADRM CC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973491297 665041588 /nfs/dbraw/zinc/04/15/88/665041588.db2.gz UTPRRNPXJVRXSI-ZKCHVHJHSA-N -1 0 311.342 -0.501 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973491009 665041669 /nfs/dbraw/zinc/04/16/69/665041669.db2.gz FIEIWWKOUGEHOX-ZYUZMQFOSA-N -1 0 323.353 -0.501 20 0 DBADRM CC(=O)N1CCC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC[C@@H]21 ZINC000973704104 665064077 /nfs/dbraw/zinc/06/40/77/665064077.db2.gz WXVYFUNNCUUJKB-QWRGUYRKSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@@H](NC(=O)c1cnon1)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001025571146 665064718 /nfs/dbraw/zinc/06/47/18/665064718.db2.gz LXKZVEDKSFKIIY-RKDXNWHRSA-N -1 0 321.341 -0.076 20 0 DBADRM CO[C@]1(C(=O)[N-]S(=O)(=O)c2cnccn2)CCSC1 ZINC000892848158 665070137 /nfs/dbraw/zinc/07/01/37/665070137.db2.gz XNSFFNUYFVMNNK-SNVBAGLBSA-N -1 0 303.365 -0.196 20 0 DBADRM N#Cc1cncc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1 ZINC000314124124 665081777 /nfs/dbraw/zinc/08/17/77/665081777.db2.gz GOJKLEOPWXJPLP-JTQLQIEISA-N -1 0 311.319 -0.183 20 0 DBADRM C[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CO1 ZINC001025823788 665091541 /nfs/dbraw/zinc/09/15/41/665091541.db2.gz CWPLVBBUGCIEPW-OFKSJOQMSA-N -1 0 307.354 -0.518 20 0 DBADRM CO[C@H]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001025823550 665091547 /nfs/dbraw/zinc/09/15/47/665091547.db2.gz ZQCDOLLLIWAVII-IIEKFROSSA-N -1 0 321.381 -0.128 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)COc1ccc2c(c1)CCC2 ZINC000314369009 665098326 /nfs/dbraw/zinc/09/83/26/665098326.db2.gz YMKGZFHJDKJBHE-UHFFFAOYSA-N -1 0 306.318 -0.129 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)c1[O-] ZINC001025901358 665110029 /nfs/dbraw/zinc/11/00/29/665110029.db2.gz CLKIVCQJQSIKPT-SFYZADRCSA-N -1 0 321.337 -0.934 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)c1[O-] ZINC001025901359 665110212 /nfs/dbraw/zinc/11/02/12/665110212.db2.gz CLKIVCQJQSIKPT-YUMQZZPRSA-N -1 0 321.337 -0.934 20 0 DBADRM C[C@@H]1CO[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1 ZINC001025908770 665110492 /nfs/dbraw/zinc/11/04/92/665110492.db2.gz XUZYTJJDVAQDIO-DSPMHBFJSA-N -1 0 307.354 -0.518 20 0 DBADRM O=C(CC1CC1)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973788231 665111388 /nfs/dbraw/zinc/11/13/88/665111388.db2.gz VAZWARMPBXJUPR-DTORHVGOSA-N -1 0 309.326 -0.747 20 0 DBADRM C[C@@H]1COCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001026020950 665119858 /nfs/dbraw/zinc/11/98/58/665119858.db2.gz AWEKIEIOPJHYDU-OQEOFVATSA-N -1 0 321.381 -0.271 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@H]1CCCO1 ZINC001026025995 665120118 /nfs/dbraw/zinc/12/01/18/665120118.db2.gz DAACQXGINLGSJD-HMUNZLOLSA-N -1 0 321.381 -0.128 20 0 DBADRM C[C@H](C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@@H]1CCCO1 ZINC001026025998 665120125 /nfs/dbraw/zinc/12/01/25/665120125.db2.gz DAACQXGINLGSJD-XPORZQOISA-N -1 0 321.381 -0.128 20 0 DBADRM CO[C@]1(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)CCSC1 ZINC000893121659 665123540 /nfs/dbraw/zinc/12/35/40/665123540.db2.gz PXMXNRBHBYVDDL-LLVKDONJSA-N -1 0 319.408 -0.112 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@H](OC)c1ccccc1 ZINC000295134419 665124422 /nfs/dbraw/zinc/12/44/22/665124422.db2.gz KDTLWUXILXJYHL-NEPJUHHUSA-N -1 0 317.363 -0.173 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnon3)C2)c1[O-] ZINC000974032958 665158402 /nfs/dbraw/zinc/15/84/02/665158402.db2.gz QXARAZIMBNZGQR-KNVOCYPGSA-N -1 0 306.282 -0.502 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccn3)C2)c1[O-] ZINC000974032881 665158473 /nfs/dbraw/zinc/15/84/73/665158473.db2.gz PGZFZRCZNHFONO-DTORHVGOSA-N -1 0 316.321 -0.095 20 0 DBADRM C[C@@H](NC(=O)[C@H]1C[C@@H]1C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001006624398 665173455 /nfs/dbraw/zinc/17/34/55/665173455.db2.gz QPDVXZMBJOJEJZ-XKSSXDPKSA-N -1 0 323.353 -0.692 20 0 DBADRM Cc1ncn(C)c1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038367510 665182088 /nfs/dbraw/zinc/18/20/88/665182088.db2.gz PXBHJQMJYULODW-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)CCC1=O ZINC000775536981 665188007 /nfs/dbraw/zinc/18/80/07/665188007.db2.gz WJIZJPKHRCSFTQ-ZJUUUORDSA-N -1 0 304.368 -0.315 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000974348034 665195232 /nfs/dbraw/zinc/19/52/32/665195232.db2.gz FIEIWWKOUGEHOX-AATLWQCWSA-N -1 0 323.353 -0.501 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](CNC(=O)C2CC2)C1 ZINC000974417019 665217283 /nfs/dbraw/zinc/21/72/83/665217283.db2.gz HEYRYUJJPXEZOA-VIFPVBQESA-N -1 0 323.353 -0.546 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cncnc1 ZINC000974482651 665224214 /nfs/dbraw/zinc/22/42/14/665224214.db2.gz BESTZCAIEQAYDW-SNVBAGLBSA-N -1 0 317.353 -0.059 20 0 DBADRM CC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[n-]n4c3nccc4=O)C[C@H]21 ZINC001008668946 665243301 /nfs/dbraw/zinc/24/33/01/665243301.db2.gz NVYFFESWWRZXHT-WLLOZRIZSA-N -1 0 315.333 -0.523 20 0 DBADRM CCC(=O)N1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC000974720042 665243688 /nfs/dbraw/zinc/24/36/88/665243688.db2.gz QDLOUJFNYANUJB-MWLCHTKSSA-N -1 0 320.349 -0.431 20 0 DBADRM O=C(N1CC[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1)[C@@]1(F)CCOC1 ZINC001027019593 665255667 /nfs/dbraw/zinc/25/56/67/665255667.db2.gz HPMWQVOGRBWJGM-NOZJJQNGSA-N -1 0 313.333 -0.423 20 0 DBADRM NC(=O)CN1CC[C@H]1CNC(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001038376705 665262243 /nfs/dbraw/zinc/26/22/43/665262243.db2.gz XCSDFXSNYXCLDZ-VIFPVBQESA-N -1 0 305.338 -0.651 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN(C(=O)CC(N)=O)C2)c1[O-] ZINC000975217481 665271983 /nfs/dbraw/zinc/27/19/83/665271983.db2.gz HMINWDRDWMTORD-VIFPVBQESA-N -1 0 323.353 -0.732 20 0 DBADRM CCC(=O)N1CCC[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000975436353 665280424 /nfs/dbraw/zinc/28/04/24/665280424.db2.gz LEKLPPYPUGWPCY-SNVBAGLBSA-N -1 0 322.365 -0.136 20 0 DBADRM CCOC(=O)CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC1(F)F ZINC000893421478 665313001 /nfs/dbraw/zinc/31/30/01/665313001.db2.gz CHILHSOSVFHFIF-SSDOTTSWSA-N -1 0 314.310 -0.112 20 0 DBADRM O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC000976114227 665324789 /nfs/dbraw/zinc/32/47/89/665324789.db2.gz JTUDNCPFPSFBLI-RKDXNWHRSA-N -1 0 321.337 -0.150 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000976103653 665325428 /nfs/dbraw/zinc/32/54/28/665325428.db2.gz XRILMANNZRKPPI-KVEIKIFDSA-N -1 0 319.321 -0.875 20 0 DBADRM CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCOCC(=O)[O-] ZINC000093227554 665325994 /nfs/dbraw/zinc/32/59/94/665325994.db2.gz GVNHCDXXJXECFD-JTQLQIEISA-N -1 0 322.383 -0.592 20 0 DBADRM NC(=O)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1O ZINC000976174809 665330444 /nfs/dbraw/zinc/33/04/44/665330444.db2.gz AQHKSVDRQJCPFO-MSRIBSCDSA-N -1 0 303.318 -0.546 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC001027343305 665351355 /nfs/dbraw/zinc/35/13/55/665351355.db2.gz RVJHVPJRCXKBSY-NSHDSACASA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCCO4)C[C@H]32)c1[O-] ZINC000976363012 665352818 /nfs/dbraw/zinc/35/28/18/665352818.db2.gz JUFLURUXNLDUJZ-ZRUFSTJUSA-N -1 0 320.349 -0.211 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cocn4)C[C@H]32)c1[O-] ZINC000976363211 665352830 /nfs/dbraw/zinc/35/28/30/665352830.db2.gz NLVGEYKFPKWBBV-MBTKJCJQSA-N -1 0 317.305 -0.088 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1cc(F)ccc1N1CCOCC1 ZINC000911256975 674699377 /nfs/dbraw/zinc/69/93/77/674699377.db2.gz KHNNJDXWDIYJSQ-NSHDSACASA-N -1 0 312.297 -0.162 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001027404545 665382067 /nfs/dbraw/zinc/38/20/67/665382067.db2.gz BZFJKPOWJVFOPI-VIFPVBQESA-N -1 0 305.342 -0.030 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccnc(F)c3)C[C@H]21)c1cn[nH]n1 ZINC000976798272 665392141 /nfs/dbraw/zinc/39/21/41/665392141.db2.gz BSMDJEYFCAMIDB-GDGBQDQQSA-N -1 0 316.296 -0.161 20 0 DBADRM Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]n2)on1 ZINC000976798314 665392275 /nfs/dbraw/zinc/39/22/75/665392275.db2.gz CYCMTJLVPAJKFJ-VROVMSAKSA-N -1 0 302.294 -0.398 20 0 DBADRM Cc1ccn(C)c1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000976798310 665392291 /nfs/dbraw/zinc/39/22/91/665392291.db2.gz CVOGEVJCJBYHIJ-IAZYJMLFSA-N -1 0 314.349 -0.048 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@H](O)C1CCC1 ZINC000911364873 674710003 /nfs/dbraw/zinc/71/00/03/674710003.db2.gz FVCVNESKNKQLGX-CYBMUJFWSA-N -1 0 300.355 -0.607 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@H](O)C1CCC1 ZINC000911364874 674710127 /nfs/dbraw/zinc/71/01/27/674710127.db2.gz FVCVNESKNKQLGX-ZDUSSCGKSA-N -1 0 300.355 -0.607 20 0 DBADRM Cn1cc(Cl)cc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000175175823 674737872 /nfs/dbraw/zinc/73/78/72/674737872.db2.gz XMOYBGLFUIKDJV-UHFFFAOYSA-N -1 0 307.759 -0.015 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC000911641085 674742445 /nfs/dbraw/zinc/74/24/45/674742445.db2.gz YZKXKIGJWCVGID-OPRDCNLKSA-N -1 0 302.352 -0.656 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cn(C)nc1OC ZINC000912530731 674774218 /nfs/dbraw/zinc/77/42/18/674774218.db2.gz FMICVLPIGJFBQA-UHFFFAOYSA-N -1 0 315.311 -0.261 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C ZINC000912557585 674777337 /nfs/dbraw/zinc/77/73/37/674777337.db2.gz DYHXXQZJQYQKST-QMMMGPOBSA-N -1 0 319.339 -0.026 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1nc(OC)n[nH]1 ZINC000912558406 674777501 /nfs/dbraw/zinc/77/75/01/674777501.db2.gz MOEHEZHIPAYOMF-UHFFFAOYSA-N -1 0 302.272 -0.876 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C3(C)CC3)C[C@@H]2O)c1[O-] ZINC000991389139 674778545 /nfs/dbraw/zinc/77/85/45/674778545.db2.gz LYWRQMQMCVREDV-UWVGGRQHSA-N -1 0 322.365 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C3CCC3)C[C@@H]2O)c1[O-] ZINC000991396650 674783659 /nfs/dbraw/zinc/78/36/59/674783659.db2.gz WOMWTKBCJKUVKY-QWRGUYRKSA-N -1 0 322.365 -0.085 20 0 DBADRM C[C@H]1C(=O)N(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)N1C ZINC000912818297 674786746 /nfs/dbraw/zinc/78/67/46/674786746.db2.gz CHXYASRVKQZGGF-YFKPBYRVSA-N -1 0 324.259 -0.243 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000991411461 674787351 /nfs/dbraw/zinc/78/73/51/674787351.db2.gz QEPBNJGYRZJMTR-BDAKNGLRSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(CN1CCNC(=O)C1)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC000913268468 674797030 /nfs/dbraw/zinc/79/70/30/674797030.db2.gz GKJPMHKLIMGARE-UHFFFAOYSA-N -1 0 315.333 -0.052 20 0 DBADRM C/C(=C\C(=O)N1CCOC[C@H]1c1nnn[n-]1)CN1CCOCC1 ZINC000913499356 674801476 /nfs/dbraw/zinc/80/14/76/674801476.db2.gz NXNMLROEGPIQSB-OBIHZWKSSA-N -1 0 322.369 -0.622 20 0 DBADRM CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000913537707 674802262 /nfs/dbraw/zinc/80/22/62/674802262.db2.gz LJNDVJMNYRLGRZ-AOOOYVTPSA-N -1 0 302.338 -0.624 20 0 DBADRM O=C(NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1)[C@@H]1CCCO1 ZINC001030086088 674820169 /nfs/dbraw/zinc/82/01/69/674820169.db2.gz VTRYEVPFSCJOBP-LBPRGKRZSA-N -1 0 317.349 -0.498 20 0 DBADRM O=C(NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1)c1cocn1 ZINC001030153058 674832645 /nfs/dbraw/zinc/83/26/45/674832645.db2.gz OJPVZEVYKPXICQ-UHFFFAOYSA-N -1 0 314.305 -0.375 20 0 DBADRM Cc1cc[nH]c1C(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC000991606720 674843760 /nfs/dbraw/zinc/84/37/60/674843760.db2.gz ZHCQHKQFGNKVPB-GXSJLCMTSA-N -1 0 318.337 -0.553 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN([C@H]3CCCN(C)C3=O)C2)c1[O-] ZINC001030222121 674846676 /nfs/dbraw/zinc/84/66/76/674846676.db2.gz GPRUTWIRFASRQM-JTQLQIEISA-N -1 0 307.354 -0.541 20 0 DBADRM CCc1nnc(CN2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)o1 ZINC001030222157 674846835 /nfs/dbraw/zinc/84/68/35/674846835.db2.gz HYACTYLADVZZIA-UHFFFAOYSA-N -1 0 306.326 -0.017 20 0 DBADRM CCn1ncc(CN2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001030223672 674847205 /nfs/dbraw/zinc/84/72/05/674847205.db2.gz DKXHBNRNSZMUNE-UHFFFAOYSA-N -1 0 305.342 -0.351 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C[C@@H]3CCNC(=O)CC3)C2)c1[O-] ZINC001030223135 674847264 /nfs/dbraw/zinc/84/72/64/674847264.db2.gz YGUFTARSZVNZCN-JTQLQIEISA-N -1 0 321.381 -0.246 20 0 DBADRM Cn1ncc(Cl)c1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030320755 674864139 /nfs/dbraw/zinc/86/41/39/674864139.db2.gz NSFKQTGJAMDESX-UHFFFAOYSA-N -1 0 311.733 -0.489 20 0 DBADRM Cc1nc(C)c(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)[nH]1 ZINC000950565023 674865200 /nfs/dbraw/zinc/86/52/00/674865200.db2.gz NBSZZUMYKJOJTC-UHFFFAOYSA-N -1 0 305.342 -0.192 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnc2[nH]cnc21 ZINC001030380430 674874137 /nfs/dbraw/zinc/87/41/37/674874137.db2.gz BMHGJIZRUFYVGJ-UHFFFAOYSA-N -1 0 314.309 -0.604 20 0 DBADRM Cc1c[nH]cc1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000991705423 674874565 /nfs/dbraw/zinc/87/45/65/674874565.db2.gz FJFPDOZBXMNSNX-UHFFFAOYSA-N -1 0 318.293 -0.826 20 0 DBADRM CC(C)[C@@H]1OCC[C@H]1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030419769 674886478 /nfs/dbraw/zinc/88/64/78/674886478.db2.gz ZYOJCUVZLMWWGL-PWSUYJOCSA-N -1 0 309.370 -0.128 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(=O)OC)ccn1 ZINC000842311156 674889941 /nfs/dbraw/zinc/88/99/41/674889941.db2.gz SIIYXLSHFYGSNW-MRVPVSSYSA-N -1 0 316.335 -0.037 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc2n1CCC2 ZINC001030461362 674892373 /nfs/dbraw/zinc/89/23/73/674892373.db2.gz KOEUBRMWVCXOFH-UHFFFAOYSA-N -1 0 303.326 -0.733 20 0 DBADRM COc1cncc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1C ZINC001030524848 674900580 /nfs/dbraw/zinc/90/05/80/674900580.db2.gz QMJSVYFGKVCZNX-UHFFFAOYSA-N -1 0 318.337 -0.163 20 0 DBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000230118050 674916345 /nfs/dbraw/zinc/91/63/45/674916345.db2.gz KURNIKLKECGWRQ-DJLDLDEBSA-N -1 0 323.392 -0.435 20 0 DBADRM Cc1cc(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)on1 ZINC001030616935 674913111 /nfs/dbraw/zinc/91/31/11/674913111.db2.gz PKIFIKVXWZDXKS-UHFFFAOYSA-N -1 0 306.282 -0.807 20 0 DBADRM Cc1cncc(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)c1 ZINC001030615967 674913182 /nfs/dbraw/zinc/91/31/82/674913182.db2.gz BBQCGUUHINOFPZ-UHFFFAOYSA-N -1 0 316.321 -0.400 20 0 DBADRM Cc1nc(C)c(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001030616968 674913228 /nfs/dbraw/zinc/91/32/28/674913228.db2.gz QUJYEMFZQMPAEC-UHFFFAOYSA-N -1 0 320.309 -0.498 20 0 DBADRM C[C@@H](c1csnn1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030616797 674913235 /nfs/dbraw/zinc/91/32/35/674913235.db2.gz JRURXFYJDIQTKZ-YFKPBYRVSA-N -1 0 323.338 -0.691 20 0 DBADRM CO[C@@H](CN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCC1 ZINC001030617203 674913263 /nfs/dbraw/zinc/91/32/63/674913263.db2.gz ZGTPSIZDSNCBCO-JTQLQIEISA-N -1 0 323.353 -0.488 20 0 DBADRM Cc1ncccc1CN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030617164 674913276 /nfs/dbraw/zinc/91/32/76/674913276.db2.gz YCLJTTSRLAEQPA-UHFFFAOYSA-N -1 0 316.321 -0.400 20 0 DBADRM O=C(NC1CN(CCc2ccns2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030618161 674913346 /nfs/dbraw/zinc/91/33/46/674913346.db2.gz AJWFNYSCSYALOY-UHFFFAOYSA-N -1 0 322.350 -0.604 20 0 DBADRM CCc1nnsc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030629499 674915415 /nfs/dbraw/zinc/91/54/15/674915415.db2.gz CSFYKQYKESSNGC-UHFFFAOYSA-N -1 0 309.355 -0.462 20 0 DBADRM Cc1cc(C)n(CC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001030643133 674917193 /nfs/dbraw/zinc/91/71/93/674917193.db2.gz VHHRFNNJROULTA-UHFFFAOYSA-N -1 0 305.342 -0.676 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@H]1C1CCOCC1 ZINC001030667421 674920437 /nfs/dbraw/zinc/92/04/37/674920437.db2.gz MDCJRWXLMQOJDS-NWDGAFQWSA-N -1 0 321.381 -0.127 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)C1CCC(C(=O)[O-])CC1 ZINC000231024211 674920481 /nfs/dbraw/zinc/92/04/81/674920481.db2.gz WNBGGOFAZLWXIY-UHFFFAOYSA-N -1 0 306.384 -0.067 20 0 DBADRM CC(C)(C)[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000063142478 674920866 /nfs/dbraw/zinc/92/08/66/674920866.db2.gz UTIYZCNCCBCXJA-ZETCQYMHSA-N -1 0 301.386 -0.550 20 0 DBADRM Cc1cc(CC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001030672172 674921123 /nfs/dbraw/zinc/92/11/23/674921123.db2.gz MSVIOJRKXRSWKJ-UHFFFAOYSA-N -1 0 305.342 -0.905 20 0 DBADRM Cn1cc(S(=O)(=O)N(CCO)CC(F)F)cc1C(=O)[O-] ZINC000231314495 674921488 /nfs/dbraw/zinc/92/14/88/674921488.db2.gz OXUJPHWKONSCNL-UHFFFAOYSA-N -1 0 312.294 -0.029 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2cn(C)nn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947261771 674926639 /nfs/dbraw/zinc/92/66/39/674926639.db2.gz NHKZIZZQFPFJEX-DTWKUNHWSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2cn(C)nn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947261770 674926682 /nfs/dbraw/zinc/92/66/82/674926682.db2.gz NHKZIZZQFPFJEX-BDAKNGLRSA-N -1 0 320.357 -0.578 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001030698957 674927242 /nfs/dbraw/zinc/92/72/42/674927242.db2.gz ZIQWZMIGMTZFQX-PTOFAABTSA-N -1 0 307.354 -0.374 20 0 DBADRM C[C@@H]1OCC[C@]1(C)C(=O)NC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001030726871 674932630 /nfs/dbraw/zinc/93/26/30/674932630.db2.gz KSNYAYXPPTXESB-XPTSAGLGSA-N -1 0 309.370 -0.776 20 0 DBADRM O=C(NC1CC(CNC(=O)C2=CCOCC2)C1)c1cn[nH]n1 ZINC000992054900 674937089 /nfs/dbraw/zinc/93/70/89/674937089.db2.gz VHQPMYPPYWVISN-UHFFFAOYSA-N -1 0 305.338 -0.224 20 0 DBADRM Cc1cc(C)c(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c(=O)[nH]1 ZINC001030760752 674940791 /nfs/dbraw/zinc/94/07/91/674940791.db2.gz BUBIPJAKWYTKFQ-UHFFFAOYSA-N -1 0 318.337 -0.158 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030762851 674942239 /nfs/dbraw/zinc/94/22/39/674942239.db2.gz BWTRMZJWTBOTFJ-UHFFFAOYSA-N -1 0 305.342 -0.525 20 0 DBADRM Cc1nc(CN2CC(NC(=O)c3cnc([O-])n(C)c3=O)C2)co1 ZINC001030780310 674951392 /nfs/dbraw/zinc/95/13/92/674951392.db2.gz WHAPHWBDGCNACB-UHFFFAOYSA-N -1 0 319.321 -0.603 20 0 DBADRM COc1ccnc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001030776392 674949231 /nfs/dbraw/zinc/94/92/31/674949231.db2.gz GLOLQJXLUDWHRG-UHFFFAOYSA-N -1 0 304.310 -0.472 20 0 DBADRM CCC(=O)N1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001015096909 674979246 /nfs/dbraw/zinc/97/92/46/674979246.db2.gz BKRQDQRAJGBQLZ-JGVFFNPUSA-N -1 0 309.326 -0.198 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCC1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000992283206 674983604 /nfs/dbraw/zinc/98/36/04/674983604.db2.gz RPGLPACJVPZDNB-SEZDTBSWSA-N -1 0 323.353 -0.644 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC000913743199 675001639 /nfs/dbraw/zinc/00/16/39/675001639.db2.gz KNXOAYPMUGDURH-JTQLQIEISA-N -1 0 310.383 -0.173 20 0 DBADRM CC(=O)N1C[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@]2(C)C1 ZINC000992455498 675001645 /nfs/dbraw/zinc/00/16/45/675001645.db2.gz HHDFQLHVDUWCKQ-TVQRCGJNSA-N -1 0 309.326 -0.984 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000913977104 675014559 /nfs/dbraw/zinc/01/45/59/675014559.db2.gz GKVBXMIMKSALSY-GHMZBOCLSA-N -1 0 316.402 -0.149 20 0 DBADRM CCCN1C[C@H](C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001031028903 675025636 /nfs/dbraw/zinc/02/56/36/675025636.db2.gz WQNDQJHUEWIWEY-SECBINFHSA-N -1 0 322.369 -0.931 20 0 DBADRM NC(=O)[C@H]1CCC[C@H](C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001031039085 675028477 /nfs/dbraw/zinc/02/84/77/675028477.db2.gz WYFMHOHUEKAMTC-IUCAKERBSA-N -1 0 322.369 -0.898 20 0 DBADRM CCOC(=O)CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)C ZINC000730542316 675039120 /nfs/dbraw/zinc/03/91/20/675039120.db2.gz VHUYIFSALZLZOE-UHFFFAOYSA-N -1 0 321.337 -0.129 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cnn(Cc2ccccc2)c1 ZINC000753949431 675034616 /nfs/dbraw/zinc/03/46/16/675034616.db2.gz DRMWMTZAKFBLPJ-UHFFFAOYSA-N -1 0 322.346 -0.524 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN([C@H]3CCN(C)C3=O)C2)c1[O-] ZINC001007131643 675035758 /nfs/dbraw/zinc/03/57/58/675035758.db2.gz XGWYGPZOWLUOOP-QWRGUYRKSA-N -1 0 321.381 -0.151 20 0 DBADRM CC[C@@H](CN1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1)OC ZINC001031068874 675036273 /nfs/dbraw/zinc/03/62/73/675036273.db2.gz OEDMSXAXXLYQPK-NSHDSACASA-N -1 0 319.365 -0.138 20 0 DBADRM CC[C@@H](C)NC(=O)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730529621 675036566 /nfs/dbraw/zinc/03/65/66/675036566.db2.gz ONHRJGSGOZTOFJ-SECBINFHSA-N -1 0 320.353 -0.508 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCN(CC2CC2)CC1 ZINC000730530690 675036740 /nfs/dbraw/zinc/03/67/40/675036740.db2.gz VLCPWPBOYWNXGV-UHFFFAOYSA-N -1 0 316.365 -0.375 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(CC(=O)N(C)C)C2)c1[O-] ZINC001007134511 675037817 /nfs/dbraw/zinc/03/78/17/675037817.db2.gz NGCGHSWWPDKEGL-SNVBAGLBSA-N -1 0 309.370 -0.294 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC1CN(C/C=C/Cl)C1 ZINC001031116531 675040988 /nfs/dbraw/zinc/04/09/88/675040988.db2.gz QYZFMNYUIHHKLK-OWOJBTEDSA-N -1 0 322.756 -0.376 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC1CN(C/C=C\Cl)C1 ZINC001031116532 675041056 /nfs/dbraw/zinc/04/10/56/675041056.db2.gz QYZFMNYUIHHKLK-UPHRSURJSA-N -1 0 322.756 -0.376 20 0 DBADRM Cc1ncc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c(C)n1 ZINC001031117781 675041489 /nfs/dbraw/zinc/04/14/89/675041489.db2.gz NMTRUVNOGGSIGC-UHFFFAOYSA-N -1 0 303.326 -0.469 20 0 DBADRM CC(C)CNC(=O)[C@@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730659345 675045756 /nfs/dbraw/zinc/04/57/56/675045756.db2.gz OBJVHFGHYXHIMV-SECBINFHSA-N -1 0 321.337 -0.225 20 0 DBADRM CCN(CC)C(=O)[C@@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730656222 675045824 /nfs/dbraw/zinc/04/58/24/675045824.db2.gz GEJLOWIOOPPLPN-SECBINFHSA-N -1 0 321.337 -0.129 20 0 DBADRM NC(=O)CO[N-]C(=O)Cn1cc(Br)ccc1=O ZINC000089463271 675057395 /nfs/dbraw/zinc/05/73/95/675057395.db2.gz ACWASUFPCBLLBE-UHFFFAOYSA-N -1 0 304.100 -0.856 20 0 DBADRM O=C(COC(=O)Cn1[n-]cc2c(=O)ncnc1-2)NCC1CCC1 ZINC000731247454 675061275 /nfs/dbraw/zinc/06/12/75/675061275.db2.gz HDNGXNOXCQKKOR-UHFFFAOYSA-N -1 0 319.321 -0.469 20 0 DBADRM CCCC(=O)N1CC[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000982369074 670528468 /nfs/dbraw/zinc/52/84/68/670528468.db2.gz MJQGSTAIWPIGQF-JTQLQIEISA-N -1 0 322.365 -0.136 20 0 DBADRM CC(C)CC(=O)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982382628 670534826 /nfs/dbraw/zinc/53/48/26/670534826.db2.gz HWSWAQKEJWXEGE-SECBINFHSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2[C@H]2CCC(=O)NC2=O)c1[O-] ZINC001038165179 670569401 /nfs/dbraw/zinc/56/94/01/670569401.db2.gz NYSHRNMSLVYWIJ-BDAKNGLRSA-N -1 0 321.337 -0.967 20 0 DBADRM CN(C)S(=O)(=O)CCN=c1nn[n-]n1Cc1ccccc1 ZINC000893924613 670581320 /nfs/dbraw/zinc/58/13/20/670581320.db2.gz UOIBNLRQFMXTBN-UHFFFAOYSA-N -1 0 310.383 -0.553 20 0 DBADRM CC(C)C(=O)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982456595 670591699 /nfs/dbraw/zinc/59/16/99/670591699.db2.gz RSJRPHHJHLZVOE-MRVPVSSYSA-N -1 0 309.326 -0.483 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1=COCCO1 ZINC001028392935 670728295 /nfs/dbraw/zinc/72/82/95/670728295.db2.gz WCVVTSRBWHYCFQ-SECBINFHSA-N -1 0 309.326 -0.663 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000732158264 677351637 /nfs/dbraw/zinc/35/16/37/677351637.db2.gz WJFRJNCFVOINIO-ZCFIWIBFSA-N -1 0 322.247 -0.021 20 0 DBADRM Cc1c(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nnn1C ZINC001028458061 670788341 /nfs/dbraw/zinc/78/83/41/670788341.db2.gz QDBFCJOJIAQBKT-VIFPVBQESA-N -1 0 320.357 -0.801 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN(Cc3cn(C)nn3)C2)c1[O-] ZINC001028485033 670807591 /nfs/dbraw/zinc/80/75/91/670807591.db2.gz ICBLYBUXTFIDBN-SNVBAGLBSA-N -1 0 319.369 -0.196 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1=CCOCC1 ZINC001028498999 670814620 /nfs/dbraw/zinc/81/46/20/670814620.db2.gz ZVMZHPCMTVERAJ-JTQLQIEISA-N -1 0 307.354 -0.205 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1 ZINC001028506529 670821406 /nfs/dbraw/zinc/82/14/06/670821406.db2.gz GHYUSTVXSZHRSM-SNVBAGLBSA-N -1 0 317.353 -0.139 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC000747119966 670867606 /nfs/dbraw/zinc/86/76/06/670867606.db2.gz YBZYPUDWKNYYLK-SKDRFNHKSA-N -1 0 306.384 -0.274 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)c[nH]1 ZINC000726348048 670869688 /nfs/dbraw/zinc/86/96/88/670869688.db2.gz FBQPPQFGHRCRHW-VIFPVBQESA-N -1 0 315.351 -0.258 20 0 DBADRM Cn1nc(C(=O)N[N-]C(=O)c2ccon2)c2ccccc2c1=O ZINC000067283517 670873978 /nfs/dbraw/zinc/87/39/78/670873978.db2.gz NCMQSRIPZMSFHK-UHFFFAOYSA-N -1 0 313.273 -0.004 20 0 DBADRM Cc1nnccc1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028663904 670924845 /nfs/dbraw/zinc/92/48/45/670924845.db2.gz YUZLBVLMWCHPJZ-JTQLQIEISA-N -1 0 317.353 -0.139 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028748651 671022330 /nfs/dbraw/zinc/02/23/30/671022330.db2.gz LYIHIIBABRGKQT-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]NC(=O)C(C)C ZINC000048411629 671097264 /nfs/dbraw/zinc/09/72/64/671097264.db2.gz OTACLIGBQXLUQH-UHFFFAOYSA-N -1 0 304.328 -0.448 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC000983480701 671164784 /nfs/dbraw/zinc/16/47/84/671164784.db2.gz HIAINLSQHMTBIV-ZKCHVHJHSA-N -1 0 321.341 -0.454 20 0 DBADRM CCC(=O)N1CCC[C@@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000983725499 671251903 /nfs/dbraw/zinc/25/19/03/671251903.db2.gz LTRPPCRWBYDTFV-SNVBAGLBSA-N -1 0 322.365 -0.041 20 0 DBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)n1 ZINC000793144434 671265046 /nfs/dbraw/zinc/26/50/46/671265046.db2.gz ROLAJPXCSMCGFM-UHFFFAOYSA-N -1 0 301.715 -0.018 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cnc(OCC2CC2)cn1 ZINC000793143974 671265094 /nfs/dbraw/zinc/26/50/94/671265094.db2.gz VSWNXKCGVXTKJV-UHFFFAOYSA-N -1 0 315.351 -0.029 20 0 DBADRM CC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000937436174 671271839 /nfs/dbraw/zinc/27/18/39/671271839.db2.gz BDJGVGDHELETTB-JTQLQIEISA-N -1 0 318.337 -0.452 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nc(=O)n(C)[nH]1 ZINC001029198723 671272637 /nfs/dbraw/zinc/27/26/37/671272637.db2.gz VTGBQHGQMWYGJG-NNYUYHANSA-N -1 0 305.382 -0.060 20 0 DBADRM O=C(C1=COCCO1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029201018 671273714 /nfs/dbraw/zinc/27/37/14/671273714.db2.gz XPHLTVLVVAFWOW-AOOOYVTPSA-N -1 0 321.337 -0.426 20 0 DBADRM O=C(c1cn[nH]c1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029224676 671278112 /nfs/dbraw/zinc/27/81/12/671278112.db2.gz PYHUDURDRLTXGE-AOOOYVTPSA-N -1 0 303.326 -0.278 20 0 DBADRM Cn1cnc(=NC(=O)C(=O)N[C@@H]2CCc3ccccc3OC2)[n-]1 ZINC000340427886 671282498 /nfs/dbraw/zinc/28/24/98/671282498.db2.gz WYPMWGIUCPMLRY-LLVKDONJSA-N -1 0 315.333 -0.315 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)COCc1ccnn1C ZINC000793227827 671286235 /nfs/dbraw/zinc/28/62/35/671286235.db2.gz LGSFCYVLTRTMRM-UHFFFAOYSA-N -1 0 319.383 -0.191 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000732524145 677364045 /nfs/dbraw/zinc/36/40/45/677364045.db2.gz PHSYMXSYWNSYKR-QMMMGPOBSA-N -1 0 304.324 -0.510 20 0 DBADRM O=C(N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1)[C@]12C[C@H]1COC2 ZINC001029314755 671312727 /nfs/dbraw/zinc/31/27/27/671312727.db2.gz CUSWKNHKLPFSSG-ZVXAKGHKSA-N -1 0 319.365 -0.278 20 0 DBADRM CC(=O)NCc1nc(CNC(=O)c2[nH]nc(C)c2[O-])cc(=O)[nH]1 ZINC000984126100 671323455 /nfs/dbraw/zinc/32/34/55/671323455.db2.gz LDCJONQYMBNFHC-UHFFFAOYSA-N -1 0 320.309 -0.515 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2cnn(C)n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947805156 671331732 /nfs/dbraw/zinc/33/17/32/671331732.db2.gz DGFHCRLTHVHYQS-RKDXNWHRSA-N -1 0 320.357 -0.578 20 0 DBADRM O=C(/C=C/CN1CCOCC1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000866902199 671339538 /nfs/dbraw/zinc/33/95/38/671339538.db2.gz ZPOXTSORCBCYPV-FXMSTWTQSA-N -1 0 306.370 -0.206 20 0 DBADRM CN1CCO[C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000074773721 671350288 /nfs/dbraw/zinc/35/02/88/671350288.db2.gz KMEMUUHBGLJVAB-LLVKDONJSA-N -1 0 314.363 -0.006 20 0 DBADRM O=C(Cc1cnoc1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029437062 671352724 /nfs/dbraw/zinc/35/27/24/671352724.db2.gz STVJZGVVZCVBLE-PHIMTYICSA-N -1 0 318.337 -0.084 20 0 DBADRM CCCC[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-] ZINC000262244989 671368299 /nfs/dbraw/zinc/36/82/99/671368299.db2.gz CBAPQDOSIQKMDA-SECBINFHSA-N -1 0 311.342 -0.261 20 0 DBADRM COCC[C@H](NC(=O)CNC(=O)NCc1ccco1)C(=O)[O-] ZINC000262337064 671433826 /nfs/dbraw/zinc/43/38/26/671433826.db2.gz WJODJWCDRSAWRG-JTQLQIEISA-N -1 0 313.310 -0.315 20 0 DBADRM C[C@](O)(CNC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)[O-] ZINC000262340926 671435430 /nfs/dbraw/zinc/43/54/30/671435430.db2.gz AIJIAYNCZSQZEA-HZMBPMFUSA-N -1 0 308.290 -0.272 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2cn[nH]n2)CN1C(=O)c1cn(C)cn1 ZINC001012478804 671443138 /nfs/dbraw/zinc/44/31/38/671443138.db2.gz KDWKYPDJPWTZHV-RKDXNWHRSA-N -1 0 303.326 -0.429 20 0 DBADRM CCN1C(=O)c2ccc(C(=O)Nc3nnn[n-]3)cc2S1(=O)=O ZINC000728208830 671448554 /nfs/dbraw/zinc/44/85/54/671448554.db2.gz VAGSDFVCYCPNSS-UHFFFAOYSA-N -1 0 322.306 -0.384 20 0 DBADRM NC(=O)[C@H]1CC(C(=O)Nc2nnn[n-]2)=NN1c1ccccc1 ZINC000728208763 671448576 /nfs/dbraw/zinc/44/85/76/671448576.db2.gz SDIDEZHNQRPXQL-SECBINFHSA-N -1 0 300.282 -0.742 20 0 DBADRM NC(=O)[C@@H]1CC(C(=O)Nc2nnn[n-]2)=NN1c1ccc(F)cc1 ZINC000728208131 671448605 /nfs/dbraw/zinc/44/86/05/671448605.db2.gz JGUDDKOSGKPOMK-VIFPVBQESA-N -1 0 318.272 -0.603 20 0 DBADRM NC(=O)[C@H]1CC(C(=O)Nc2nnn[n-]2)=NN1c1ccc(F)cc1 ZINC000728208126 671448745 /nfs/dbraw/zinc/44/87/45/671448745.db2.gz JGUDDKOSGKPOMK-SECBINFHSA-N -1 0 318.272 -0.603 20 0 DBADRM CCOc1nc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)co1 ZINC001038457250 671451530 /nfs/dbraw/zinc/45/15/30/671451530.db2.gz MUFIWRRORZIDGS-MRVPVSSYSA-N -1 0 322.325 -0.099 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000262454757 671456116 /nfs/dbraw/zinc/45/61/16/671456116.db2.gz RKHXUIDHUYSUPB-SNVBAGLBSA-N -1 0 312.388 -0.522 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC000985368955 671466917 /nfs/dbraw/zinc/46/69/17/671466917.db2.gz HHEFJRXMKRSRHJ-JGVFFNPUSA-N -1 0 309.326 -0.982 20 0 DBADRM CC1N=NC(=S)N1CCNC(=O)c1cnc([O-])n(C)c1=O ZINC000751588967 671493918 /nfs/dbraw/zinc/49/39/18/671493918.db2.gz KWHRBCWVUNAJEC-UHFFFAOYSA-N -1 0 310.339 -0.895 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCOC1CCOCC1 ZINC000797279620 671496595 /nfs/dbraw/zinc/49/65/95/671496595.db2.gz DVIOJIQPQAIUQN-VIFPVBQESA-N -1 0 323.367 -0.420 20 0 DBADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000320658360 671497485 /nfs/dbraw/zinc/49/74/85/671497485.db2.gz HRWTXFJESIJCJS-UINNMSKDSA-N -1 0 309.322 -0.312 20 0 DBADRM COCc1ncc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)s1 ZINC000797287843 671498261 /nfs/dbraw/zinc/49/82/61/671498261.db2.gz RSSNQTVADZTVBY-LURJTMIESA-N -1 0 322.364 -0.089 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCOC[C@@H]1CCCO1 ZINC000797303482 671499154 /nfs/dbraw/zinc/49/91/54/671499154.db2.gz XPRNWBYBVKLSKK-ZJUUUORDSA-N -1 0 323.367 -0.420 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCn1cc(Cl)cn1 ZINC000797304209 671499165 /nfs/dbraw/zinc/49/91/65/671499165.db2.gz MNOPRSPQGDYQJG-ZETCQYMHSA-N -1 0 323.758 -0.066 20 0 DBADRM CC(C)(F)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000937599627 671499974 /nfs/dbraw/zinc/49/99/74/671499974.db2.gz AIXGWNUIZRGSFC-LURJTMIESA-N -1 0 313.289 -0.638 20 0 DBADRM CN1C(=O)c2ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc2C1=O ZINC000262548282 671500399 /nfs/dbraw/zinc/50/03/99/671500399.db2.gz SNTCNSNHGIEUOO-AWEZNQCLSA-N -1 0 306.274 -0.522 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N1CCOC[C@@H]1CC(=O)[O-])CC2 ZINC000909616142 671505264 /nfs/dbraw/zinc/50/52/64/671505264.db2.gz GBYUYSRYGIJLII-QWRGUYRKSA-N -1 0 308.338 -0.149 20 0 DBADRM C[C@](O)(CNC(=O)CCn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000262561269 671505579 /nfs/dbraw/zinc/50/55/79/671505579.db2.gz WIVLSKDGMWHPGS-AWEZNQCLSA-N -1 0 320.305 -0.867 20 0 DBADRM CC(=O)N1C[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)CC[C@@H]2C1 ZINC000985592909 671512659 /nfs/dbraw/zinc/51/26/59/671512659.db2.gz XAKZFHZMCMLXAB-MNOVXSKESA-N -1 0 320.349 -0.574 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1ncccn1)c1n[nH]c(=O)[n-]c1=O ZINC001038467063 671526300 /nfs/dbraw/zinc/52/63/00/671526300.db2.gz XADBWGVKXCNYPI-QMMMGPOBSA-N -1 0 317.309 -0.923 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NCc3cn(C)nn3)[C@H]2C)c1[O-] ZINC000986149901 671568140 /nfs/dbraw/zinc/56/81/40/671568140.db2.gz AOMGTXUIMUMTID-MWLCHTKSSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NCc3nnnn3C)[C@H]2C)c1[O-] ZINC000986161385 671568726 /nfs/dbraw/zinc/56/87/26/671568726.db2.gz PUMYCJKADKEJMS-BDAKNGLRSA-N -1 0 320.357 -0.660 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NCc3nnnn3C)[C@H]2C)c1[O-] ZINC000986161393 671569094 /nfs/dbraw/zinc/56/90/94/671569094.db2.gz PUMYCJKADKEJMS-RKDXNWHRSA-N -1 0 320.357 -0.660 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)[C@@H]2C)c1[O-] ZINC000986160715 671569386 /nfs/dbraw/zinc/56/93/86/671569386.db2.gz OVIGBOVIKHIGPZ-YUMQZZPRSA-N -1 0 321.341 -0.360 20 0 DBADRM CCC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC000986441540 671592067 /nfs/dbraw/zinc/59/20/67/671592067.db2.gz PYSUWWQLKGORHM-BDAKNGLRSA-N -1 0 321.337 -0.387 20 0 DBADRM C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cc1cnoc1 ZINC000986688922 671614391 /nfs/dbraw/zinc/61/43/91/671614391.db2.gz FEFNYLHVBZCEEY-ONGXEEELSA-N -1 0 320.353 -0.582 20 0 DBADRM CC(C)(CCNC(=O)NC[C@@H]1CC(C(N)=O)=NO1)C(=O)[O-] ZINC000263031702 671618165 /nfs/dbraw/zinc/61/81/65/671618165.db2.gz HHHAGAIPOGPUFD-ZETCQYMHSA-N -1 0 300.315 -0.583 20 0 DBADRM CC(C)(CCNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC000263047577 671622857 /nfs/dbraw/zinc/62/28/57/671622857.db2.gz KEVPCMQHOBBMIO-IUCAKERBSA-N -1 0 301.343 -0.181 20 0 DBADRM Nc1ncnc(N2Cc3n[nH]c(=O)n3C[C@@H]2C(=O)[O-])c1Cl ZINC000263063209 671625360 /nfs/dbraw/zinc/62/53/60/671625360.db2.gz NGBOMRCGVVUUQK-SCSAIBSYSA-N -1 0 311.689 -0.930 20 0 DBADRM NC(=O)CC(=O)N1CCCCC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000986947332 671627515 /nfs/dbraw/zinc/62/75/15/671627515.db2.gz BAYNBVKVRDRWRU-VIFPVBQESA-N -1 0 308.342 -0.819 20 0 DBADRM NC(=O)NCCCCC(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000729076633 671629684 /nfs/dbraw/zinc/62/96/84/671629684.db2.gz FGBAGVYURJPNME-UHFFFAOYSA-N -1 0 306.388 -0.328 20 0 DBADRM CC(C)CN1C[C@H](C(=O)[N-]S(=O)(=O)N2CCCC2)CC1=O ZINC000729076584 671630278 /nfs/dbraw/zinc/63/02/78/671630278.db2.gz BSAKTCPLORULSP-LLVKDONJSA-N -1 0 317.411 -0.052 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCCC1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000729189175 671646138 /nfs/dbraw/zinc/64/61/38/671646138.db2.gz NCFDCFXABIGRDR-SNVBAGLBSA-N -1 0 315.395 -0.156 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263154939 671647402 /nfs/dbraw/zinc/64/74/02/671647402.db2.gz PVKCUPITWWXKDI-NXEZZACHSA-N -1 0 322.383 -0.089 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263200910 671657744 /nfs/dbraw/zinc/65/77/44/671657744.db2.gz XIKSRQCIKDLPEM-UTLUCORTSA-N -1 0 306.384 -0.022 20 0 DBADRM COC[C@@](C)([N-]S(=O)(=O)CCn1cccn1)C(=O)OC ZINC000866949962 671660017 /nfs/dbraw/zinc/66/00/17/671660017.db2.gz WSTUBXPFPQILMR-LLVKDONJSA-N -1 0 305.356 -0.619 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)NCCC(=O)[O-])[C@H](C)C1 ZINC000263411963 671696692 /nfs/dbraw/zinc/69/66/92/671696692.db2.gz VCBMZQNXZUKYDM-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM O=C([O-])COCCNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000263445729 671700726 /nfs/dbraw/zinc/70/07/26/671700726.db2.gz NGDDIRCJDMCVCP-UHFFFAOYSA-N -1 0 320.301 -0.110 20 0 DBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)C(=O)[O-] ZINC000263551398 671728857 /nfs/dbraw/zinc/72/88/57/671728857.db2.gz LCNWMPWEYCQPDS-SSDOTTSWSA-N -1 0 322.364 -0.654 20 0 DBADRM CC(=O)N(C)C[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000988115366 671749184 /nfs/dbraw/zinc/74/91/84/671749184.db2.gz DOXMNVZQHVIGSJ-SNVBAGLBSA-N -1 0 323.353 -0.458 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NCc3cnn(C)n3)C[C@@H]2C)c1[O-] ZINC000988631914 671813640 /nfs/dbraw/zinc/81/36/40/671813640.db2.gz IMOGIUYJZDJHAD-WPRPVWTQSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NCc3cn(C)nn3)C[C@H]2C)c1[O-] ZINC000988639305 671814480 /nfs/dbraw/zinc/81/44/80/671814480.db2.gz WYYLTYKAYSXEHS-SCZZXKLOSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NCc3nnnn3C)C[C@@H]2C)c1[O-] ZINC000988660484 671831551 /nfs/dbraw/zinc/83/15/51/671831551.db2.gz DLCHYAGLZCEOTP-CBAPKCEASA-N -1 0 320.357 -0.660 20 0 DBADRM O=C(C=C1CCC1)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000937812241 671837688 /nfs/dbraw/zinc/83/76/88/671837688.db2.gz YNDOATRQPHUMAY-VIFPVBQESA-N -1 0 319.321 -0.276 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3nonc3C)C2)c1[O-] ZINC000937828857 671839861 /nfs/dbraw/zinc/83/98/61/671839861.db2.gz GRNJNYAYJVIIOR-QMMMGPOBSA-N -1 0 320.309 -0.240 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3ncn(C)n3)C2)c1[O-] ZINC000937831116 671840141 /nfs/dbraw/zinc/84/01/41/671840141.db2.gz CQPQMJXJRPLYLU-QMMMGPOBSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCO3)C2)c1[O-] ZINC000937833060 671840291 /nfs/dbraw/zinc/84/02/91/671840291.db2.gz WGYFRJZWTQWQLS-VHSXEESVSA-N -1 0 308.338 -0.067 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cncn3C)C2)c1[O-] ZINC000937836933 671840685 /nfs/dbraw/zinc/84/06/85/671840685.db2.gz QLLPWSUJCDPMFR-VIFPVBQESA-N -1 0 318.337 -0.198 20 0 DBADRM C[C@@H]1C[C@@H](NCc2ccon2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989112251 671879509 /nfs/dbraw/zinc/87/95/09/671879509.db2.gz OXAGSGPPHSNFNR-VXNVDRBHSA-N -1 0 320.309 -0.336 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C(F)F ZINC000989198115 671997540 /nfs/dbraw/zinc/99/75/40/671997540.db2.gz JHFSOESRLGYXKT-RITPCOANSA-N -1 0 319.268 -0.940 20 0 DBADRM Cc1nccn1CC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000989673394 672581461 /nfs/dbraw/zinc/58/14/61/672581461.db2.gz NYLJMBPQUGSENC-UHFFFAOYSA-N -1 0 319.369 -0.250 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccccc1 ZINC000990096407 672644170 /nfs/dbraw/zinc/64/41/70/672644170.db2.gz DZPBXJCGXOIQPB-UHFFFAOYSA-N -1 0 315.289 -0.463 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)c2ccccc2)C1 ZINC000990090318 672644565 /nfs/dbraw/zinc/64/45/65/672644565.db2.gz LZWAEIGCNNBANA-UHFFFAOYSA-N -1 0 317.305 -0.670 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cccs1 ZINC000990114491 672649362 /nfs/dbraw/zinc/64/93/62/672649362.db2.gz LKRMELJZWKQMNG-UHFFFAOYSA-N -1 0 321.318 -0.401 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000990135717 672654509 /nfs/dbraw/zinc/65/45/09/672654509.db2.gz JHYMSEHPGHXKBV-WCBMZHEXSA-N -1 0 315.333 -0.381 20 0 DBADRM Cc1occc1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000990178692 672670907 /nfs/dbraw/zinc/67/09/07/672670907.db2.gz GJMRCWFRLRXJMA-UHFFFAOYSA-N -1 0 321.293 -0.768 20 0 DBADRM CNC(=O)CN1CC[C@]2(NC(=O)c3[nH]nc(C)c3[O-])CCC[C@@H]12 ZINC000990195141 672672290 /nfs/dbraw/zinc/67/22/90/672672290.db2.gz WYTZJXDURCHYFV-MEBBXXQBSA-N -1 0 321.381 -0.103 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]23CCC[C@@H]2N(CC(N)=O)CC3)c1[O-] ZINC000990194118 672672561 /nfs/dbraw/zinc/67/25/61/672672561.db2.gz PMJOLYYHBCGREX-LKFCYVNXSA-N -1 0 307.354 -0.364 20 0 DBADRM O=C(C[C@@H]1C=CCC1)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000990189253 672675918 /nfs/dbraw/zinc/67/59/18/672675918.db2.gz CVQPUFZNUBAJCS-MRVPVSSYSA-N -1 0 319.321 -0.420 20 0 DBADRM O=C(C[C@H]1C=CCC1)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000990189254 672675958 /nfs/dbraw/zinc/67/59/58/672675958.db2.gz CVQPUFZNUBAJCS-QMMMGPOBSA-N -1 0 319.321 -0.420 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N1CC(NC(=O)c2cnn(C)c2)C1 ZINC000990202245 672679070 /nfs/dbraw/zinc/67/90/70/672679070.db2.gz XTGGWTAXNLLJPJ-UHFFFAOYSA-N -1 0 316.321 -0.521 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)C[C@H](C)OC)C1 ZINC000764185617 677341332 /nfs/dbraw/zinc/34/13/32/677341332.db2.gz BJMLDAVJZYWBLR-UWVGGRQHSA-N -1 0 306.384 -0.274 20 0 DBADRM O=C(NCCCNC(=O)c1cccc(O)c1)c1cc(=O)[nH][n-]1 ZINC000731872213 677346513 /nfs/dbraw/zinc/34/65/13/677346513.db2.gz ABWZUYCGAVDRQX-UHFFFAOYSA-N -1 0 304.306 -0.496 20 0 DBADRM C[C@]1(c2cccc(NC(=O)c3cc(=O)[nH][n-]3)c2)NC(=O)NC1=O ZINC000731869857 677346518 /nfs/dbraw/zinc/34/65/18/677346518.db2.gz PNOWBJJTRIPQSN-CQSZACIVSA-N -1 0 315.289 -0.444 20 0 DBADRM C[C@H]1CN(c2ccc(CNC(=O)c3cc(=O)[nH][n-]3)cn2)CCO1 ZINC000731869916 677346570 /nfs/dbraw/zinc/34/65/70/677346570.db2.gz QZWZQKGQJDOEAN-JTQLQIEISA-N -1 0 317.349 -0.201 20 0 DBADRM COC(=O)CNC(=O)c1ccc(NC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000731893074 677347012 /nfs/dbraw/zinc/34/70/12/677347012.db2.gz DJRUALJVWOREHK-UHFFFAOYSA-N -1 0 318.289 -0.596 20 0 DBADRM O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cc(=O)[nH][n-]1 ZINC000731868316 677347046 /nfs/dbraw/zinc/34/70/46/677347046.db2.gz BXIUOVXPLUXDHB-UHFFFAOYSA-N -1 0 315.289 -0.447 20 0 DBADRM CCCN(CC(=O)OCC)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000731977245 677348765 /nfs/dbraw/zinc/34/87/65/677348765.db2.gz NPGYTCSTZYBHJI-UHFFFAOYSA-N -1 0 321.337 -0.127 20 0 DBADRM CC(=O)N1C[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@]2(C)C1 ZINC000993209346 677348925 /nfs/dbraw/zinc/34/89/25/677348925.db2.gz AKYPIQSFTMCXTP-BMIGLBTASA-N -1 0 320.349 -0.574 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732090613 677350478 /nfs/dbraw/zinc/35/04/78/677350478.db2.gz YKIYAVASOXOGKK-BDAKNGLRSA-N -1 0 310.358 -0.350 20 0 DBADRM O=C(Cc1cn2ccccc2n1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732090598 677350964 /nfs/dbraw/zinc/35/09/64/677350964.db2.gz XTQWTVHDIWNLIP-NSHDSACASA-N -1 0 313.321 -0.010 20 0 DBADRM COc1ccc(OC)c2c1CN(C(=O)c1cc(=O)[nH][n-]1)C[C@@H]2O ZINC000732258565 677352461 /nfs/dbraw/zinc/35/24/61/677352461.db2.gz URKAZZAAKVCOHV-JTQLQIEISA-N -1 0 319.317 -0.045 20 0 DBADRM CCC(CC)[C@H](O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000732300558 677352714 /nfs/dbraw/zinc/35/27/14/677352714.db2.gz BEQVEJVPUUOXFX-LLVKDONJSA-N -1 0 307.354 -0.016 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(=O)[nH][n-]1 ZINC000732279177 677352723 /nfs/dbraw/zinc/35/27/23/677352723.db2.gz ZPCPSKICTBPCDM-LLVKDONJSA-N -1 0 300.318 -0.220 20 0 DBADRM O=C(c1ccsc1)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000732273993 677352927 /nfs/dbraw/zinc/35/29/27/677352927.db2.gz NBZAFFRNRGHTNE-UHFFFAOYSA-N -1 0 306.347 -0.092 20 0 DBADRM CCOCCO[C@@H](C)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737877380 677360089 /nfs/dbraw/zinc/36/00/89/677360089.db2.gz KVGYFGAKONBMHM-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)cc1 ZINC000732524114 677364005 /nfs/dbraw/zinc/36/40/05/677364005.db2.gz OCYGDSATDRMHGX-UHFFFAOYSA-N -1 0 316.335 -0.743 20 0 DBADRM Cn1nccc1C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1 ZINC000732617925 677366117 /nfs/dbraw/zinc/36/61/17/677366117.db2.gz ULJZAFUEJRHSSR-UHFFFAOYSA-N -1 0 314.348 -0.301 20 0 DBADRM CCCNC(=O)CCCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732767251 677370428 /nfs/dbraw/zinc/37/04/28/677370428.db2.gz XQXSEEYIIRPDNJ-SNVBAGLBSA-N -1 0 310.358 -0.204 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000993676294 677384788 /nfs/dbraw/zinc/38/47/88/677384788.db2.gz XAKZCWTVDFHSMZ-DTWKUNHWSA-N -1 0 320.357 -0.280 20 0 DBADRM Cc1ncc(CC(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)o1 ZINC000993922237 677395234 /nfs/dbraw/zinc/39/52/34/677395234.db2.gz YVOGKLQLEALJGL-UHFFFAOYSA-N -1 0 319.321 -0.097 20 0 DBADRM C[C@@H]1[C@H](NC(=O)c2nnc[nH]2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994017891 677399409 /nfs/dbraw/zinc/39/94/09/677399409.db2.gz HAHNMUIWIDBJCZ-HTQZYQBOSA-N -1 0 306.330 -0.589 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)C2(C3CC3)CC2)C1 ZINC000994080088 677404233 /nfs/dbraw/zinc/40/42/33/677404233.db2.gz QVSQKWLJXZYYIM-UHFFFAOYSA-N -1 0 321.337 -0.794 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)CC(C)(C)C)S(C)(=O)=O ZINC000733059176 677412873 /nfs/dbraw/zinc/41/28/73/677412873.db2.gz FBUNXFJNTBNSIF-UHFFFAOYSA-N -1 0 300.402 -0.630 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)cc1C ZINC000153838290 677414084 /nfs/dbraw/zinc/41/40/84/677414084.db2.gz INWKOVYJQOVQMN-UHFFFAOYSA-N -1 0 324.362 -0.296 20 0 DBADRM C[C@H](c1cnccn1)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001031314789 677416423 /nfs/dbraw/zinc/41/64/23/677416423.db2.gz KMWPELNTLQFCDE-MRVPVSSYSA-N -1 0 319.325 -0.959 20 0 DBADRM C[C@H](c1ncccn1)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001031314669 677416508 /nfs/dbraw/zinc/41/65/08/677416508.db2.gz FURAMEWEPNUPQQ-MRVPVSSYSA-N -1 0 319.325 -0.959 20 0 DBADRM C[C@@H](c1ncccn1)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001031314670 677416524 /nfs/dbraw/zinc/41/65/24/677416524.db2.gz FURAMEWEPNUPQQ-QMMMGPOBSA-N -1 0 319.325 -0.959 20 0 DBADRM C[C@@H](c1cnccn1)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001031314832 677416559 /nfs/dbraw/zinc/41/65/59/677416559.db2.gz KMWPELNTLQFCDE-QMMMGPOBSA-N -1 0 319.325 -0.959 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(CCc2cccs2)C1 ZINC001031315154 677416853 /nfs/dbraw/zinc/41/68/53/677416853.db2.gz WRCBEKQRNYQSBK-UHFFFAOYSA-N -1 0 323.378 -0.206 20 0 DBADRM COC(=O)CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)C ZINC000733110042 677417543 /nfs/dbraw/zinc/41/75/43/677417543.db2.gz OQFORMCZUBIJHS-UHFFFAOYSA-N -1 0 321.337 -0.129 20 0 DBADRM CCOC(=O)c1ccc(C(=O)[N-]N2CC(=O)NC2=O)nc1C ZINC000916746114 677424463 /nfs/dbraw/zinc/42/44/63/677424463.db2.gz WBBOTRAOEXNSDX-UHFFFAOYSA-N -1 0 306.278 -0.237 20 0 DBADRM CC(C)c1nn(C)cc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031383809 677439233 /nfs/dbraw/zinc/43/92/33/677439233.db2.gz NHUZRIZOYZZQIG-UHFFFAOYSA-N -1 0 319.369 -0.019 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC000994528755 677443208 /nfs/dbraw/zinc/44/32/08/677443208.db2.gz HBKXNGVJEPLCEN-RKDXNWHRSA-N -1 0 321.341 -0.015 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCc2c[nH]nc2C1 ZINC001031420791 677446251 /nfs/dbraw/zinc/44/62/51/677446251.db2.gz SNGDIFVGALZUAS-QMMMGPOBSA-N -1 0 317.353 -0.661 20 0 DBADRM O=S(=O)(NCC12COCCN1CCOC2)c1cscn1 ZINC000918377788 677455309 /nfs/dbraw/zinc/45/53/09/677455309.db2.gz KYLYHGIJOOTFMV-UHFFFAOYSA-N -1 0 319.408 -0.477 20 0 DBADRM CCn1nc(C)c(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001031488462 677457234 /nfs/dbraw/zinc/45/72/34/677457234.db2.gz PXFRNQFVTIGJFW-UHFFFAOYSA-N -1 0 306.330 -0.956 20 0 DBADRM CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000918482331 677457697 /nfs/dbraw/zinc/45/76/97/677457697.db2.gz MOQZZQYJVUHZQH-QMMMGPOBSA-N -1 0 311.323 -0.498 20 0 DBADRM O=C(c1n[n-]c2ccccc2c1=O)N1CCN(CCO)CC1 ZINC000154820570 677462258 /nfs/dbraw/zinc/46/22/58/677462258.db2.gz ZQIASHWZTYLZJJ-UHFFFAOYSA-N -1 0 302.334 -0.327 20 0 DBADRM Cc1cnc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001031525297 677462304 /nfs/dbraw/zinc/46/23/04/677462304.db2.gz CEPLHLUTHRZMGB-UHFFFAOYSA-N -1 0 303.326 -0.529 20 0 DBADRM Cc1noc(C)c1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031541828 677464616 /nfs/dbraw/zinc/46/46/16/677464616.db2.gz DRADSSBHYYTALA-UHFFFAOYSA-N -1 0 306.326 -0.023 20 0 DBADRM Cc1nnc(CN2CC(CNC(=O)c3[nH]nc(C)c3[O-])C2)[nH]1 ZINC001031616399 677480634 /nfs/dbraw/zinc/48/06/34/677480634.db2.gz SQDNMEHUNCFBNA-UHFFFAOYSA-N -1 0 305.342 -0.288 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN([C@@H](C)c3nncn3C)C2)c1[O-] ZINC001031615702 677480666 /nfs/dbraw/zinc/48/06/66/677480666.db2.gz DRRUKAAALARAIK-VIFPVBQESA-N -1 0 319.369 -0.025 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN([C@H]3CCCN(C)C3=O)C2)c1[O-] ZINC001031617852 677480899 /nfs/dbraw/zinc/48/08/99/677480899.db2.gz RYPDARCJDDUMAB-NSHDSACASA-N -1 0 321.381 -0.294 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN([C@@H](C)C(=O)NC3CC3)C2)c1[O-] ZINC001031616058 677480931 /nfs/dbraw/zinc/48/09/31/677480931.db2.gz MOGLALICLOCNBB-VIFPVBQESA-N -1 0 321.381 -0.248 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN([C@H](C)C(=O)NC3CC3)C2)c1[O-] ZINC001031616057 677481033 /nfs/dbraw/zinc/48/10/33/677481033.db2.gz MOGLALICLOCNBB-SECBINFHSA-N -1 0 321.381 -0.248 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN([C@@H](C)c3nnnn3C)C2)c1[O-] ZINC001031617854 677481164 /nfs/dbraw/zinc/48/11/64/677481164.db2.gz RYZZRKUURUETJR-QMMMGPOBSA-N -1 0 320.357 -0.630 20 0 DBADRM CCn1nccc1C(=O)NCC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001031632860 677486251 /nfs/dbraw/zinc/48/62/51/677486251.db2.gz JCLDJPAIGRKHMO-UHFFFAOYSA-N -1 0 319.369 -0.813 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC(O)CC1 ZINC001031640508 677489193 /nfs/dbraw/zinc/48/91/93/677489193.db2.gz SLUBTDMTDCGBNU-UHFFFAOYSA-N -1 0 309.370 -0.391 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)C[C@H](OC)C1CC1 ZINC000921380189 677503166 /nfs/dbraw/zinc/50/31/66/677503166.db2.gz JOKOABUINHTOIQ-QWRGUYRKSA-N -1 0 309.384 -0.091 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC000994722610 677506033 /nfs/dbraw/zinc/50/60/33/677506033.db2.gz YFBBARSFOFYBRP-ONGXEEELSA-N -1 0 319.369 -0.068 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3csnn3)C2)c1[O-] ZINC000938337829 677515640 /nfs/dbraw/zinc/51/56/40/677515640.db2.gz IVBHYWCFJSEBNI-ZETCQYMHSA-N -1 0 322.350 -0.080 20 0 DBADRM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000938349414 677515880 /nfs/dbraw/zinc/51/58/80/677515880.db2.gz IUWURUBEBJHGKJ-APPZFPTMSA-N -1 0 321.337 -0.340 20 0 DBADRM CC1(C(=O)N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CCC1 ZINC000938350362 677516526 /nfs/dbraw/zinc/51/65/26/677516526.db2.gz UAFVUPIOWKWMIV-QMMMGPOBSA-N -1 0 321.337 -0.196 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c1[O-] ZINC000938374940 677518564 /nfs/dbraw/zinc/51/85/64/677518564.db2.gz RAOCKTQKSSCURL-IUCAKERBSA-N -1 0 321.337 -0.967 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC000938388636 677519782 /nfs/dbraw/zinc/51/97/82/677519782.db2.gz GPGMVUWWFLQKBD-FSIBCCDJSA-N -1 0 321.337 -0.627 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000938389329 677519936 /nfs/dbraw/zinc/51/99/36/677519936.db2.gz SLOWXAYNOWHFIQ-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM CC[C@H](C)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938388757 677520130 /nfs/dbraw/zinc/52/01/30/677520130.db2.gz MICRDWJRLFSSQY-IUCAKERBSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938389849 677520179 /nfs/dbraw/zinc/52/01/79/677520179.db2.gz YKYBIBVCLNPYPJ-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)Cc3cnoc3)C2)c1[O-] ZINC000938488014 677529817 /nfs/dbraw/zinc/52/98/17/677529817.db2.gz HBUVUFULVZFJSS-JTQLQIEISA-N -1 0 319.321 -0.015 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cnon3)C2)c1[O-] ZINC000938504070 677531285 /nfs/dbraw/zinc/53/12/85/677531285.db2.gz GOOQCAUOEGOOAD-ZETCQYMHSA-N -1 0 306.282 -0.549 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)c1[O-] ZINC000938830970 677555723 /nfs/dbraw/zinc/55/57/23/677555723.db2.gz LTLRGQTUIXVWAQ-MRVPVSSYSA-N -1 0 319.325 -0.471 20 0 DBADRM CCC(=O)N(C)[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000938833147 677557063 /nfs/dbraw/zinc/55/70/63/677557063.db2.gz KGQYWVCCPCUWBP-SECBINFHSA-N -1 0 323.353 -0.315 20 0 DBADRM CN(C(=O)C(F)F)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938942042 677563958 /nfs/dbraw/zinc/56/39/58/677563958.db2.gz AGNVFTNFWKFEAW-RXMQYKEDSA-N -1 0 317.252 -0.779 20 0 DBADRM CC(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938942944 677564061 /nfs/dbraw/zinc/56/40/61/677564061.db2.gz OWHIXQBTNJTVFR-MRVPVSSYSA-N -1 0 309.326 -0.388 20 0 DBADRM CN(C(=O)CC1CC1)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938983759 677566439 /nfs/dbraw/zinc/56/64/39/677566439.db2.gz JSBRPVAOXFYWDG-SNVBAGLBSA-N -1 0 323.353 -0.451 20 0 DBADRM CN(C(=O)C1(C)CC1)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938983537 677566474 /nfs/dbraw/zinc/56/64/74/677566474.db2.gz GTXXDLXQONUTFH-VIFPVBQESA-N -1 0 323.353 -0.451 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1n[nH]c2c1CCC2 ZINC001031808237 677590371 /nfs/dbraw/zinc/59/03/71/677590371.db2.gz YBBJNNUUZRENAY-UHFFFAOYSA-N -1 0 317.353 -0.416 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)c1[O-] ZINC000939504176 677610946 /nfs/dbraw/zinc/61/09/46/677610946.db2.gz CSCQSFISODPGOK-ZJUUUORDSA-N -1 0 324.337 -0.830 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000939535154 677613687 /nfs/dbraw/zinc/61/36/87/677613687.db2.gz VWJPGEHEZWFRHM-SNVBAGLBSA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3ccnn3C)C2)c1[O-] ZINC000939665354 677620401 /nfs/dbraw/zinc/62/04/01/677620401.db2.gz PVNDSLIEUQNVEF-SECBINFHSA-N -1 0 318.337 -0.198 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001031858376 677637545 /nfs/dbraw/zinc/63/75/45/677637545.db2.gz XLDYCCVRRWOOAJ-GMXVVIOVSA-N -1 0 321.381 -0.127 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCCO3)C2)c1[O-] ZINC000940039019 677645265 /nfs/dbraw/zinc/64/52/65/677645265.db2.gz WGYFRJZWTQWQLS-NXEZZACHSA-N -1 0 308.338 -0.067 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)c1[O-] ZINC000940039028 677645327 /nfs/dbraw/zinc/64/53/27/677645327.db2.gz WMQGDLMDUCQVIA-ZJUUUORDSA-N -1 0 324.337 -0.830 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)c1[O-] ZINC000940048007 677645566 /nfs/dbraw/zinc/64/55/66/677645566.db2.gz VCGQJJCCEPYVSC-WMFXKJRFSA-N -1 0 320.349 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)Cn3ccnc3)C2)c1[O-] ZINC000940047650 677645637 /nfs/dbraw/zinc/64/56/37/677645637.db2.gz OJOUSLFFDNEFJI-SNVBAGLBSA-N -1 0 318.337 -0.349 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3ccnn3C)C2)c1[O-] ZINC000940038581 677645854 /nfs/dbraw/zinc/64/58/54/677645854.db2.gz GPBILKACGLCPFR-SECBINFHSA-N -1 0 318.337 -0.198 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000940495676 677669394 /nfs/dbraw/zinc/66/93/94/677669394.db2.gz NLGIBSSKWJHWOB-SECBINFHSA-N -1 0 303.322 -0.237 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)Cn3nccn3)C2)c1[O-] ZINC000940666577 677705970 /nfs/dbraw/zinc/70/59/70/677705970.db2.gz ROXHJZGZKJRNOY-SECBINFHSA-N -1 0 319.325 -0.954 20 0 DBADRM O=C(CO)N[N-]C(=O)c1cnn2cc(Br)cnc12 ZINC000182772750 677739936 /nfs/dbraw/zinc/73/99/36/677739936.db2.gz HSPYIZSOUMZZKT-UHFFFAOYSA-N -1 0 314.099 -0.755 20 0 DBADRM Cn1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)c(Cl)n1 ZINC000941446279 677805876 /nfs/dbraw/zinc/80/58/76/677805876.db2.gz KUSUCYAIIPJBOS-SSDOTTSWSA-N -1 0 323.744 -0.164 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941788594 677848942 /nfs/dbraw/zinc/84/89/42/677848942.db2.gz GHUJEHSCAUUIAA-HOOMWESVSA-N -1 0 307.310 -0.420 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000941793966 677850053 /nfs/dbraw/zinc/85/00/53/677850053.db2.gz IUWURUBEBJHGKJ-IONNQARKSA-N -1 0 321.337 -0.340 20 0 DBADRM COc1ccc(CC(=O)N2CC(NC(=O)c3cn[nH]n3)C2)cc1 ZINC000995177960 677853257 /nfs/dbraw/zinc/85/32/57/677853257.db2.gz SSXLVTIZXDCJLU-UHFFFAOYSA-N -1 0 315.333 -0.003 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1ccn[nH]1 ZINC000941847981 677854621 /nfs/dbraw/zinc/85/46/21/677854621.db2.gz VVDZNSNLMOJBNN-IUCAKERBSA-N -1 0 305.342 -0.126 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1ccnn1C ZINC000941876258 677860610 /nfs/dbraw/zinc/86/06/10/677860610.db2.gz FGCXNXAJKXQRCU-NXEZZACHSA-N -1 0 319.369 -0.116 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)Cc1cc[nH]n1 ZINC000941914976 677862670 /nfs/dbraw/zinc/86/26/70/677862670.db2.gz BILGFQRQKOQJRM-KOLCDFICSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)Cc1cc[nH]n1 ZINC000941914975 677862780 /nfs/dbraw/zinc/86/27/80/677862780.db2.gz BILGFQRQKOQJRM-GXSJLCMTSA-N -1 0 319.369 -0.197 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)c2ccoc2)C1 ZINC000941933762 677864738 /nfs/dbraw/zinc/86/47/38/677864738.db2.gz BGSKPYWOJHIOPN-SECBINFHSA-N -1 0 321.293 -0.687 20 0 DBADRM CCCC(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000941982607 677869120 /nfs/dbraw/zinc/86/91/20/677869120.db2.gz MRSSXBDGOTTWQE-SECBINFHSA-N -1 0 308.338 -0.383 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000942186215 677892840 /nfs/dbraw/zinc/89/28/40/677892840.db2.gz IFNKUIQATOAQGP-AEJSXWLSSA-N -1 0 320.349 -0.527 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1)c1n[nH]cc1F ZINC000942354399 677922111 /nfs/dbraw/zinc/92/21/11/677922111.db2.gz KHROMAKTVXWNNX-SSDOTTSWSA-N -1 0 320.284 -0.311 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCN(C(=O)C2CC2)C1 ZINC000942882825 677967732 /nfs/dbraw/zinc/96/77/32/677967732.db2.gz QFFYPKGLFYKRLP-VIFPVBQESA-N -1 0 321.337 -0.244 20 0 DBADRM Cc1ncc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)c(C)n1 ZINC001032058907 677973812 /nfs/dbraw/zinc/97/38/12/677973812.db2.gz XAADKQWFUMRKFW-UHFFFAOYSA-N -1 0 317.353 -0.221 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)CCO1 ZINC001032078415 677992009 /nfs/dbraw/zinc/99/20/09/677992009.db2.gz TVNLSMWRVJLRFQ-KOLCDFICSA-N -1 0 309.370 -0.127 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cnn(C)n1 ZINC000943582716 678005945 /nfs/dbraw/zinc/00/59/45/678005945.db2.gz VBWFAFRMYUYRMU-DTWKUNHWSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1nnc[nH]1 ZINC000943701370 678011694 /nfs/dbraw/zinc/01/16/94/678011694.db2.gz HIFJFVRNILDVNP-JGVFFNPUSA-N -1 0 306.330 -0.731 20 0 DBADRM O=C(N[C@H]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1)c1cn[nH]n1 ZINC000943735590 678015889 /nfs/dbraw/zinc/01/58/89/678015889.db2.gz VSGBUQVWHDTEKK-OZHLHINWSA-N -1 0 319.365 -0.146 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000943827865 678021264 /nfs/dbraw/zinc/02/12/64/678021264.db2.gz YETGFUGUGRQRBF-CBAPKCEASA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)NC[C@H]1CCCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC000944125170 678057092 /nfs/dbraw/zinc/05/70/92/678057092.db2.gz JSSDGOMYCJEWKF-SECBINFHSA-N -1 0 309.326 -0.658 20 0 DBADRM CCc1ncncc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032191136 678062881 /nfs/dbraw/zinc/06/28/81/678062881.db2.gz RPGAUAIAVYOKLB-UHFFFAOYSA-N -1 0 317.353 -0.276 20 0 DBADRM CC(C)C(=O)N1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000944363137 678075902 /nfs/dbraw/zinc/07/59/02/678075902.db2.gz ATIVYFYSAVOSSH-UHFFFAOYSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N1CCC2(C1)CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC000944401903 678078301 /nfs/dbraw/zinc/07/83/01/678078301.db2.gz XXCCNGWWSRJDKO-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM COC(=O)[C@@H](CNC(=O)c1cc(=O)[nH][n-]1)Cc1ccc(O)cc1 ZINC000733362572 678119888 /nfs/dbraw/zinc/11/98/88/678119888.db2.gz RHAKIANUYZCMKB-SNVBAGLBSA-N -1 0 319.317 -0.284 20 0 DBADRM CC1=C(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C(=O)OC1(C)C ZINC000733360771 678119889 /nfs/dbraw/zinc/11/98/89/678119889.db2.gz RUZBUZGOWVNVCD-UHFFFAOYSA-N -1 0 314.323 -0.201 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CC12CCOCC2 ZINC001032231894 678140885 /nfs/dbraw/zinc/14/08/85/678140885.db2.gz PSCLCQLIPMNDDS-LLVKDONJSA-N -1 0 321.381 -0.125 20 0 DBADRM COCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(=O)n2[n-]ccc2n1 ZINC001032234996 678143003 /nfs/dbraw/zinc/14/30/03/678143003.db2.gz SGDBMRHKISASFV-RYUDHWBXSA-N -1 0 317.349 -0.546 20 0 DBADRM CC(C)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC000945183068 678144268 /nfs/dbraw/zinc/14/42/68/678144268.db2.gz KGCHTUFRNRVWFQ-BDAKNGLRSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H]1CN(C(=O)c2cnsn2)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000945197273 678145127 /nfs/dbraw/zinc/14/51/27/678145127.db2.gz FHJIJTDBVOHWHT-JGVFFNPUSA-N -1 0 321.366 -0.063 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnsn2)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000945197272 678145277 /nfs/dbraw/zinc/14/52/77/678145277.db2.gz FHJIJTDBVOHWHT-HTQZYQBOSA-N -1 0 321.366 -0.063 20 0 DBADRM CC(C)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC000945433223 678155629 /nfs/dbraw/zinc/15/56/29/678155629.db2.gz VJOJXTFJNPSVLM-IUCAKERBSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@H]1NC(=O)C1CC1 ZINC000945433208 678155632 /nfs/dbraw/zinc/15/56/32/678155632.db2.gz VCWGAUYMSITKNE-IONNQARKSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000945548345 678165195 /nfs/dbraw/zinc/16/51/95/678165195.db2.gz JNOGSXIRZAFLCG-VXNVDRBHSA-N -1 0 309.326 -0.340 20 0 DBADRM O=C(N=c1nc(SCCO)[nH][n-]1)c1nnc2ccccc2n1 ZINC000354971308 678167346 /nfs/dbraw/zinc/16/73/46/678167346.db2.gz SYQRNFGUHRHADU-UHFFFAOYSA-N -1 0 317.334 -0.099 20 0 DBADRM CC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000945654287 678169123 /nfs/dbraw/zinc/16/91/23/678169123.db2.gz MZXJOKOHXKURHE-WPRPVWTQSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1nnsc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032274312 678174426 /nfs/dbraw/zinc/17/44/26/678174426.db2.gz GQFPFZXQYCLNJW-YUMQZZPRSA-N -1 0 321.366 -0.231 20 0 DBADRM CC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000945789912 678175123 /nfs/dbraw/zinc/17/51/23/678175123.db2.gz SHWVEPZCIWAGRT-IONNQARKSA-N -1 0 309.326 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2[C@@H](C)CCCN2C(=O)C(N)=O)c1[O-] ZINC000945802253 678176896 /nfs/dbraw/zinc/17/68/96/678176896.db2.gz QVZJGQXBGQZMNZ-CBAPKCEASA-N -1 0 323.353 -0.734 20 0 DBADRM CCC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000945817718 678179592 /nfs/dbraw/zinc/17/95/92/678179592.db2.gz ZBOXKYOVNPOWJP-UWVGGRQHSA-N -1 0 323.353 -0.451 20 0 DBADRM O=C(CCc1ccncn1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948580161 678180270 /nfs/dbraw/zinc/18/02/70/678180270.db2.gz AVORTAYWSXEFIR-UHFFFAOYSA-N -1 0 317.353 -0.423 20 0 DBADRM CCC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@H]21 ZINC000945994680 678190650 /nfs/dbraw/zinc/19/06/50/678190650.db2.gz FZSNLUWSLGLZRH-RKDXNWHRSA-N -1 0 321.337 -0.244 20 0 DBADRM CCC(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC[C@@H]21 ZINC000946000283 678191313 /nfs/dbraw/zinc/19/13/13/678191313.db2.gz UJYFDOLTWSOESH-UWVGGRQHSA-N -1 0 323.353 -0.451 20 0 DBADRM CC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000946068563 678197991 /nfs/dbraw/zinc/19/79/91/678197991.db2.gz KNEKVORNRPWGQX-KOLCDFICSA-N -1 0 308.338 -0.480 20 0 DBADRM O=C(NC[C@H]1CCC[C@@H]1NC(=O)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC000946085174 678198517 /nfs/dbraw/zinc/19/85/17/678198517.db2.gz QPMDAUGTGFMMIC-BDAKNGLRSA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(NC[C@H]1CCC[C@H]1NC(=O)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC000946085177 678198612 /nfs/dbraw/zinc/19/86/12/678198612.db2.gz QPMDAUGTGFMMIC-RKDXNWHRSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1)n1cccn1 ZINC001032291026 678200612 /nfs/dbraw/zinc/20/06/12/678200612.db2.gz ZMCAKSBNBZKBIZ-VWYCJHECSA-N -1 0 317.353 -0.247 20 0 DBADRM Cc1cncn1CC(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000996069221 678216694 /nfs/dbraw/zinc/21/66/94/678216694.db2.gz LQJGWALJEPAIPI-UHFFFAOYSA-N -1 0 318.337 -0.431 20 0 DBADRM Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)c3cnn(C)c3)cn12 ZINC000733680478 678248265 /nfs/dbraw/zinc/24/82/65/678248265.db2.gz SMJXNXVFQSKGGH-UHFFFAOYSA-N -1 0 320.334 -0.110 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCSCC(=O)OC ZINC000733715015 678253763 /nfs/dbraw/zinc/25/37/63/678253763.db2.gz NUKXIELQJFMVIZ-MRVPVSSYSA-N -1 0 313.397 -0.236 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC000733717463 678254100 /nfs/dbraw/zinc/25/41/00/678254100.db2.gz MZXKAMJJFKOKKR-SECBINFHSA-N -1 0 306.384 -0.226 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)[N-]S(=O)(=O)CC1CC1 ZINC000733703522 678254192 /nfs/dbraw/zinc/25/41/92/678254192.db2.gz QORVWHOYOUUUSY-UHFFFAOYSA-N -1 0 303.340 -0.826 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000733698910 678254233 /nfs/dbraw/zinc/25/42/33/678254233.db2.gz BSAJHEJIOPEXNL-UHFFFAOYSA-N -1 0 313.335 -0.015 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000733716189 678254354 /nfs/dbraw/zinc/25/43/54/678254354.db2.gz NUMISBJPVXRROK-LURJTMIESA-N -1 0 306.365 -0.059 20 0 DBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)COC)cn1 ZINC000733717653 678254425 /nfs/dbraw/zinc/25/44/25/678254425.db2.gz NJHALJKTQWESLE-QMMMGPOBSA-N -1 0 315.351 -0.464 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000733716466 678254552 /nfs/dbraw/zinc/25/45/52/678254552.db2.gz PWRPJADQJRFOCH-SNVBAGLBSA-N -1 0 322.383 -0.894 20 0 DBADRM O=C(CCCNC(=O)C1CC1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733721483 678255698 /nfs/dbraw/zinc/25/56/98/678255698.db2.gz HEUBPJXDLUIBDK-JTQLQIEISA-N -1 0 304.368 -0.472 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2 ZINC000733718687 678255735 /nfs/dbraw/zinc/25/57/35/678255735.db2.gz VCHRJMWJLNSRAP-LDYMZIIASA-N -1 0 322.408 -0.467 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC000733718751 678255760 /nfs/dbraw/zinc/25/57/60/678255760.db2.gz VVAQWQGIQZCYTC-ONGXEEELSA-N -1 0 306.384 -0.274 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1OC ZINC000733713549 678255793 /nfs/dbraw/zinc/25/57/93/678255793.db2.gz GBECFHNNWVSQLN-ZETCQYMHSA-N -1 0 305.356 -0.168 20 0 DBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733719364 678255892 /nfs/dbraw/zinc/25/58/92/678255892.db2.gz MWGRWRFIYGTMMP-MRVPVSSYSA-N -1 0 311.381 -0.482 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2 ZINC000733718681 678255939 /nfs/dbraw/zinc/25/59/39/678255939.db2.gz VCHRJMWJLNSRAP-GZMMTYOYSA-N -1 0 322.408 -0.467 20 0 DBADRM Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733718416 678255948 /nfs/dbraw/zinc/25/59/48/678255948.db2.gz FIAUROZTLRHNPM-VIFPVBQESA-N -1 0 310.335 -0.114 20 0 DBADRM Cc1csc(=O)n1CCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733719309 678255956 /nfs/dbraw/zinc/25/59/56/678255956.db2.gz LKYQCJIJRXRGRN-VIFPVBQESA-N -1 0 320.392 -0.157 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@@]12CCC(=O)N1CCS2 ZINC000733722913 678256195 /nfs/dbraw/zinc/25/61/95/678256195.db2.gz NOULKBPSXPFQCW-KCJUWKMLSA-N -1 0 320.392 -0.713 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C1 ZINC000733722828 678256220 /nfs/dbraw/zinc/25/62/20/678256220.db2.gz YLDYIKSIQAXLJM-QWRGUYRKSA-N -1 0 318.395 -0.130 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733721668 678256230 /nfs/dbraw/zinc/25/62/30/678256230.db2.gz CLECRRRAUJJGIE-DCAQKATOSA-N -1 0 307.368 -0.195 20 0 DBADRM O=C(CN1Cc2ccccc2C1=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733722135 678256293 /nfs/dbraw/zinc/25/62/93/678256293.db2.gz OJINKZWBDVNJGQ-NSHDSACASA-N -1 0 324.358 -0.123 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@]12CCC(=O)N1CCS2 ZINC000733722915 678256457 /nfs/dbraw/zinc/25/64/57/678256457.db2.gz NOULKBPSXPFQCW-LDYMZIIASA-N -1 0 320.392 -0.713 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3csnn3)C2)c1[O-] ZINC000996593153 678265916 /nfs/dbraw/zinc/26/59/16/678265916.db2.gz VGPDTUZIBOYWSK-UHFFFAOYSA-N -1 0 308.323 -0.470 20 0 DBADRM Cc1ocnc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032306894 678268593 /nfs/dbraw/zinc/26/85/93/678268593.db2.gz WXMLSKZLZQUYAB-IUCAKERBSA-N -1 0 304.310 -0.094 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cn1ccccc1=O ZINC000734089230 678274731 /nfs/dbraw/zinc/27/47/31/678274731.db2.gz SJIZBQHBXUSXJV-UHFFFAOYSA-N -1 0 316.335 -0.753 20 0 DBADRM CC[C@]1(C)C[C@H]1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996737950 678288480 /nfs/dbraw/zinc/28/84/80/678288480.db2.gz XDBFLIVLNUWZQX-RMLUDKJBSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1cc(C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)co1 ZINC000996735211 678289964 /nfs/dbraw/zinc/28/99/64/678289964.db2.gz LOSOMRNWZYDRPO-UHFFFAOYSA-N -1 0 319.277 -0.561 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000996745356 678290987 /nfs/dbraw/zinc/29/09/87/678290987.db2.gz NPLBBTHEQXSFJQ-SFYZADRCSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1ccoc1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996746093 678291021 /nfs/dbraw/zinc/29/10/21/678291021.db2.gz QSEJMLFDPUABTK-UHFFFAOYSA-N -1 0 319.277 -0.561 20 0 DBADRM O=C(NC1CN(C(=O)C2(C3CC3)CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996746212 678291505 /nfs/dbraw/zinc/29/15/05/678291505.db2.gz RZYGXDJXJOZSKJ-UHFFFAOYSA-N -1 0 319.321 -0.586 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ncnn2C)c1[O-] ZINC001032356466 678343131 /nfs/dbraw/zinc/34/31/31/678343131.db2.gz UWIQPYKTKDMUIQ-UWVGGRQHSA-N -1 0 317.353 -0.349 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032356308 678343445 /nfs/dbraw/zinc/34/34/45/678343445.db2.gz RNUNZTXIFJUXPG-UTLUCORTSA-N -1 0 321.337 -0.751 20 0 DBADRM CC[C@H](C(N)=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-] ZINC001032358423 678345022 /nfs/dbraw/zinc/34/50/22/678345022.db2.gz HDFFKFGNHNDCIC-LPEHRKFASA-N -1 0 307.354 -0.414 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H](C)C(=O)N(C)C)c1[O-] ZINC001032358064 678345042 /nfs/dbraw/zinc/34/50/42/678345042.db2.gz RDXJTNARHHAOFC-VWYCJHECSA-N -1 0 321.381 -0.201 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cnon2)c1[O-] ZINC001032358050 678345315 /nfs/dbraw/zinc/34/53/15/678345315.db2.gz QMTFMDQFSPQRGL-UWVGGRQHSA-N -1 0 304.310 -0.094 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)NCCNC(N)=O)cc2[n-]c1=S ZINC000735810183 678346679 /nfs/dbraw/zinc/34/66/79/678346679.db2.gz LBNJMMRUBVEDHD-UHFFFAOYSA-N -1 0 321.362 -0.380 20 0 DBADRM CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2nnn[n-]2)c1 ZINC000735820896 678347308 /nfs/dbraw/zinc/34/73/08/678347308.db2.gz LPSOPJXIGLNEJW-UHFFFAOYSA-N -1 0 314.302 -0.111 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCCNC(N)=O ZINC000736109087 678366682 /nfs/dbraw/zinc/36/66/82/678366682.db2.gz KYHVSGQZCNMBLL-UHFFFAOYSA-N -1 0 318.330 -0.405 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000921518603 678380738 /nfs/dbraw/zinc/38/07/38/678380738.db2.gz IOQQSKCOBFJCAF-NSHDSACASA-N -1 0 312.370 -0.103 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000888319899 678392080 /nfs/dbraw/zinc/39/20/80/678392080.db2.gz RKBBYHCKHASDHD-UHFFFAOYSA-N -1 0 315.337 -0.004 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000888321087 678393491 /nfs/dbraw/zinc/39/34/91/678393491.db2.gz HXHKLDVSDBZQKN-SECBINFHSA-N -1 0 310.362 -0.666 20 0 DBADRM Cc1c[nH]nc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[nH]1 ZINC001032395236 678394508 /nfs/dbraw/zinc/39/45/08/678394508.db2.gz UBRFCMPVYXENFZ-UWVGGRQHSA-N -1 0 317.353 -0.761 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1 ZINC000771523954 678399566 /nfs/dbraw/zinc/39/95/66/678399566.db2.gz KFJVMVXFGGALON-YUMQZZPRSA-N -1 0 303.340 -0.323 20 0 DBADRM C[C@@H](NC(=O)c1cn[nH]n1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000997200170 678417009 /nfs/dbraw/zinc/41/70/09/678417009.db2.gz FZFQADGXAJYTGA-MRVPVSSYSA-N -1 0 320.357 -0.341 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997257568 678422704 /nfs/dbraw/zinc/42/27/04/678422704.db2.gz FROTZXPFTHSAKS-HTQZYQBOSA-N -1 0 309.326 -0.938 20 0 DBADRM CC(C)C1(C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000997258867 678423299 /nfs/dbraw/zinc/42/32/99/678423299.db2.gz WRZSYGWGYKJVIB-UHFFFAOYSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)(C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000997258279 678423381 /nfs/dbraw/zinc/42/33/81/678423381.db2.gz MOYYZAYHWRYSJN-UHFFFAOYSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)[C@H](F)C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997257999 678423703 /nfs/dbraw/zinc/42/37/03/678423703.db2.gz KDRWCWPUEMXFRW-VIFPVBQESA-N -1 0 315.305 -0.990 20 0 DBADRM CC(C)[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997259096 678423723 /nfs/dbraw/zinc/42/37/23/678423723.db2.gz ZRQVJVYPJXAMFL-VHSXEESVSA-N -1 0 323.353 -0.692 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)c2cccs2)C1 ZINC000997263023 678423930 /nfs/dbraw/zinc/42/39/30/678423930.db2.gz FGVMTQXHJUUSDR-UHFFFAOYSA-N -1 0 323.334 -0.608 20 0 DBADRM Cc1ccc(C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC000997263893 678424148 /nfs/dbraw/zinc/42/41/48/678424148.db2.gz HUHLJBPOVNYJTH-UHFFFAOYSA-N -1 0 321.293 -0.768 20 0 DBADRM CC1(C)CC(C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000997263956 678424187 /nfs/dbraw/zinc/42/41/87/678424187.db2.gz ILNBDBQMHJKSPK-UHFFFAOYSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)[C@H]2CC=CCC2)C1 ZINC000997267726 678424551 /nfs/dbraw/zinc/42/45/51/678424551.db2.gz UWZNBWLKIJZIJD-VIFPVBQESA-N -1 0 321.337 -0.627 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000997267718 678424788 /nfs/dbraw/zinc/42/47/88/678424788.db2.gz UWZNBWLKIJZIJD-SECBINFHSA-N -1 0 321.337 -0.627 20 0 DBADRM CC1CC(C(=O)N2CC(NC(=O)c3cnc([O-])n(C)c3=O)C2)C1 ZINC000997360054 678433038 /nfs/dbraw/zinc/43/30/38/678433038.db2.gz CTDMYNLDYFPHRS-UHFFFAOYSA-N -1 0 320.349 -0.527 20 0 DBADRM CCC(CC)C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997358479 678433432 /nfs/dbraw/zinc/43/34/32/678433432.db2.gz OROFVHWEYXEMSA-UHFFFAOYSA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997362888 678435442 /nfs/dbraw/zinc/43/54/42/678435442.db2.gz YHUJHAQTQZUIKJ-BDAKNGLRSA-N -1 0 320.349 -0.527 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCC[C@@H]1CNC(=O)C1CC1 ZINC000946256612 678485576 /nfs/dbraw/zinc/48/55/76/678485576.db2.gz DKJWMWFRPYYDNZ-NXEZZACHSA-N -1 0 323.353 -0.500 20 0 DBADRM CC1(C)CC[C@H]1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000997924176 678537186 /nfs/dbraw/zinc/53/71/86/678537186.db2.gz SQSSVHPHQHVXIP-QMMMGPOBSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000997999533 678546186 /nfs/dbraw/zinc/54/61/86/678546186.db2.gz RBDMVZXUGDVSFA-JIGDXULJSA-N -1 0 319.321 -0.731 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C/C=C\Cl)C1 ZINC001016109218 678602386 /nfs/dbraw/zinc/60/23/86/678602386.db2.gz BDEMXAUUWOBBBQ-XKKRXVNHSA-N -1 0 301.734 -0.368 20 0 DBADRM Cc1nocc1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000998739323 678640098 /nfs/dbraw/zinc/64/00/98/678640098.db2.gz PVQGVZIHGREWEY-UHFFFAOYSA-N -1 0 305.294 -0.025 20 0 DBADRM CC(C)[C@H]1C[C@H]1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000998838359 678651155 /nfs/dbraw/zinc/65/11/55/678651155.db2.gz SJBTWCKRXGLXDI-NXEZZACHSA-N -1 0 323.353 -0.692 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](NCc3nncn3C)C2)c1[O-] ZINC000998957361 678661152 /nfs/dbraw/zinc/66/11/52/678661152.db2.gz YDXGLTRHPZSRLW-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC(NCc2cnon2)C1 ZINC000999056933 678667411 /nfs/dbraw/zinc/66/74/11/678667411.db2.gz JPYTZUBXALBEGI-UHFFFAOYSA-N -1 0 321.297 -0.941 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000999091902 678672164 /nfs/dbraw/zinc/67/21/64/678672164.db2.gz SFPPSESLGBFXAG-RNFRBKRXSA-N -1 0 307.310 -0.731 20 0 DBADRM O=C(Cc1ncc[nH]1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032700785 678698433 /nfs/dbraw/zinc/69/84/33/678698433.db2.gz CBNLAJSHJJCDPZ-IUCAKERBSA-N -1 0 303.326 -0.739 20 0 DBADRM Cc1conc1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000999657609 678732166 /nfs/dbraw/zinc/73/21/66/678732166.db2.gz ZFRKNPGIXRFVPS-UHFFFAOYSA-N -1 0 305.294 -0.025 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000921686245 678735922 /nfs/dbraw/zinc/73/59/22/678735922.db2.gz HIJDXUGOQGWNMX-MRVPVSSYSA-N -1 0 300.336 -0.034 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@H]3C[C@@]34CCOC4)C2)c1[O-] ZINC000999718627 678737977 /nfs/dbraw/zinc/73/79/77/678737977.db2.gz OPEBQZJYRFBWLE-MEBBXXQBSA-N -1 0 320.349 -0.209 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC000999984827 678783603 /nfs/dbraw/zinc/78/36/03/678783603.db2.gz PPOHMNAENYNWGL-NXEZZACHSA-N -1 0 322.369 -0.788 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCCC2)C1 ZINC000772973708 678817008 /nfs/dbraw/zinc/81/70/08/678817008.db2.gz SRQIIZLNVGJBFV-JTQLQIEISA-N -1 0 303.384 -0.298 20 0 DBADRM Cn1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)n1 ZINC001032783101 678830987 /nfs/dbraw/zinc/83/09/87/678830987.db2.gz PQTDRMGRMUMMFU-IUCAKERBSA-N -1 0 303.326 -0.657 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1COCCO1 ZINC001000464669 678842878 /nfs/dbraw/zinc/84/28/78/678842878.db2.gz HYISZLGIMCPJMX-LLVKDONJSA-N -1 0 323.353 -0.826 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)Cc3c[nH]cn3)C2)c1[O-] ZINC001000557861 678854714 /nfs/dbraw/zinc/85/47/14/678854714.db2.gz GWOJVVRXQCMCQW-UHFFFAOYSA-N -1 0 304.310 -0.670 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ncc[nH]1 ZINC001000661918 678863457 /nfs/dbraw/zinc/86/34/57/678863457.db2.gz HVBGLSCGTDYLNA-UHFFFAOYSA-N -1 0 303.326 -0.205 20 0 DBADRM CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001000907069 678881291 /nfs/dbraw/zinc/88/12/91/678881291.db2.gz RZSQJHRINQTKLR-PRJMDXOYSA-N -1 0 307.310 -0.446 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001000942893 678882278 /nfs/dbraw/zinc/88/22/78/678882278.db2.gz ZMZHHFJNXKVZFW-HLTSFMKQSA-N -1 0 319.321 -0.446 20 0 DBADRM Cc1cc(C(=O)NCC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)[nH]n1 ZINC001001073196 678900474 /nfs/dbraw/zinc/90/04/74/678900474.db2.gz VBSGFPPNCQWNAM-UHFFFAOYSA-N -1 0 318.337 -0.043 20 0 DBADRM Cn1cc(C(=O)NCC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC001001379735 678929639 /nfs/dbraw/zinc/92/96/39/678929639.db2.gz KMFCHWXGNSOVOG-UHFFFAOYSA-N -1 0 320.357 -0.719 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(CNC(=O)C2=CCCC2)C1 ZINC001001415660 678931953 /nfs/dbraw/zinc/93/19/53/678931953.db2.gz AWXJNTJKIXCHAR-UHFFFAOYSA-N -1 0 321.337 -0.626 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3cccnn3)C2)c1[O-] ZINC001001458077 678933297 /nfs/dbraw/zinc/93/32/97/678933297.db2.gz IQHNQJGQBTYVHW-UHFFFAOYSA-N -1 0 316.321 -0.284 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1[O-] ZINC001001456234 678933335 /nfs/dbraw/zinc/93/33/35/678933335.db2.gz RMWMCCFLNJDSFE-NSHDSACASA-N -1 0 321.381 -0.294 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)[C@@H]3CCCO3)C2)c1[O-] ZINC001001457508 678933502 /nfs/dbraw/zinc/93/35/02/678933502.db2.gz ZJYKSNZUGSIVLW-JTQLQIEISA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)[C@]34C[C@H]3COC4)C2)c1[O-] ZINC001001462722 678934038 /nfs/dbraw/zinc/93/40/38/678934038.db2.gz KHSHTRDTEGNKGX-BONVTDFDSA-N -1 0 320.349 -0.352 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3cnon3)C2)c1[O-] ZINC001001459767 678934124 /nfs/dbraw/zinc/93/41/24/678934124.db2.gz UBYCYDXWVYYGJA-UHFFFAOYSA-N -1 0 306.282 -0.691 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001001466312 678934676 /nfs/dbraw/zinc/93/46/76/678934676.db2.gz MDHDGBNBECRCSH-MRVPVSSYSA-N -1 0 321.337 -0.483 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)Cn3ccnc3)C2)c1[O-] ZINC001001454394 678936382 /nfs/dbraw/zinc/93/63/82/678936382.db2.gz ZXBCMJKMWLGHLC-UHFFFAOYSA-N -1 0 318.337 -0.491 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3cnsn3)C2)c1[O-] ZINC001001452307 678936507 /nfs/dbraw/zinc/93/65/07/678936507.db2.gz CZKSJTUFIUHELM-UHFFFAOYSA-N -1 0 322.350 -0.223 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001001738500 678954718 /nfs/dbraw/zinc/95/47/18/678954718.db2.gz NNXHLXJPUVFRIT-PJXYFTJBSA-N -1 0 321.381 -0.269 20 0 DBADRM Cc1nc[nH]c1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032819732 678957791 /nfs/dbraw/zinc/95/77/91/678957791.db2.gz APXOWNVLCVPFOU-IUCAKERBSA-N -1 0 303.326 -0.359 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCO[C@@H]1CCOC1 ZINC000921879837 678975246 /nfs/dbraw/zinc/97/52/46/678975246.db2.gz FLWWHROECBPVQR-VVVCHXIZSA-N -1 0 300.402 -0.256 20 0 DBADRM O=C(CN1CCCC1=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002315233 678976992 /nfs/dbraw/zinc/97/69/92/678976992.db2.gz XEFNBAHUXSQCNC-UHFFFAOYSA-N -1 0 322.369 -0.787 20 0 DBADRM Cc1c(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)nnn1C ZINC001002517720 678986407 /nfs/dbraw/zinc/98/64/07/678986407.db2.gz VGOUJNLHNVRYQV-UHFFFAOYSA-N -1 0 320.357 -0.658 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCN(CC(=O)NC3CC3)CC2)c1[O-] ZINC001002614575 678992010 /nfs/dbraw/zinc/99/20/10/678992010.db2.gz GKUVRPWJYHKTIB-UHFFFAOYSA-N -1 0 321.381 -0.103 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)NCC(=O)[N-]OC)C12CCOCC2 ZINC000922022264 679005122 /nfs/dbraw/zinc/00/51/22/679005122.db2.gz JHEOPPXSPQMRGM-WDEREUQCSA-N -1 0 315.370 -0.063 20 0 DBADRM COc1nc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)co1 ZINC001003384545 679036592 /nfs/dbraw/zinc/03/65/92/679036592.db2.gz CIHSZWCQLNIVOE-UHFFFAOYSA-N -1 0 322.325 -0.099 20 0 DBADRM CCC(C)(C)C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003390868 679037333 /nfs/dbraw/zinc/03/73/33/679037333.db2.gz GBSJUWGJYGHUPV-UHFFFAOYSA-N -1 0 323.353 -0.093 20 0 DBADRM CC[C@@H](F)C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003391386 679037401 /nfs/dbraw/zinc/03/74/01/679037401.db2.gz LQTXLFDBNPYRJD-SSDOTTSWSA-N -1 0 313.289 -0.781 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003392272 679037517 /nfs/dbraw/zinc/03/75/17/679037517.db2.gz VMNNDEVQRLPVEE-XPUUQOCRSA-N -1 0 307.310 -0.873 20 0 DBADRM CC1(C(=O)N2CC(CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CCC1 ZINC001003390549 679037569 /nfs/dbraw/zinc/03/75/69/679037569.db2.gz BRECVPYJRFVDHD-UHFFFAOYSA-N -1 0 321.337 -0.339 20 0 DBADRM NC(=O)[C@@H]1CC[C@H]1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003430029 679040129 /nfs/dbraw/zinc/04/01/29/679040129.db2.gz VJRIHCRYRXCRMW-NXEZZACHSA-N -1 0 322.369 -0.898 20 0 DBADRM Cc1cnn(C)c1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003453307 679041194 /nfs/dbraw/zinc/04/11/94/679041194.db2.gz DTVSYFCKSABBIY-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM CN1CC[C@@H](C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1=O ZINC001003463441 679042298 /nfs/dbraw/zinc/04/22/98/679042298.db2.gz GKJRGUOISSRAIN-JTQLQIEISA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001003547758 679048200 /nfs/dbraw/zinc/04/82/00/679048200.db2.gz NRLIPGPYIKZVDM-SCZZXKLOSA-N -1 0 320.349 -0.670 20 0 DBADRM Cc1ccnn1CC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003716855 679061905 /nfs/dbraw/zinc/06/19/05/679061905.db2.gz OTMKSJICYXPNAY-UHFFFAOYSA-N -1 0 319.369 -0.204 20 0 DBADRM Cc1c(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001032915118 679079064 /nfs/dbraw/zinc/07/90/64/679079064.db2.gz LSEXJPWNQLQSEJ-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1nn(C)cc1C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032961672 679089539 /nfs/dbraw/zinc/08/95/39/679089539.db2.gz HCCWMBCSHIPNHP-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1c(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nnn1C ZINC001032983769 679095250 /nfs/dbraw/zinc/09/52/50/679095250.db2.gz DBFSVWRAPWYLGO-SECBINFHSA-N -1 0 320.357 -0.706 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(CC(=O)N3CCC3)C2)c1[O-] ZINC001033008470 679098117 /nfs/dbraw/zinc/09/81/17/679098117.db2.gz GJMPAWULJHBSLR-LLVKDONJSA-N -1 0 321.381 -0.198 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(Cc3nnnn3C)C2)c1[O-] ZINC001033011251 679098320 /nfs/dbraw/zinc/09/83/20/679098320.db2.gz ZXKOFEWRCVUTJA-VIFPVBQESA-N -1 0 320.357 -0.706 20 0 DBADRM CN(C(=O)C[C@@H]1COC(=O)C1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033009848 679098937 /nfs/dbraw/zinc/09/89/37/679098937.db2.gz JNIXDQZLHNEWAO-VHSXEESVSA-N -1 0 323.353 -0.504 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN([C@H]3CCCNC3=O)C2)c1[O-] ZINC001033013447 679099897 /nfs/dbraw/zinc/09/98/97/679099897.db2.gz FJZNJLSEZFPIRL-MNOVXSKESA-N -1 0 321.381 -0.151 20 0 DBADRM C[C@@H](C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001033018955 679100344 /nfs/dbraw/zinc/10/03/44/679100344.db2.gz CEFXMAMMWDFQJQ-UWVGGRQHSA-N -1 0 320.357 -0.604 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CCC(NC(=O)C(N)=O)CC2)c1[O-] ZINC001004065731 679102115 /nfs/dbraw/zinc/10/21/15/679102115.db2.gz UCRBTLLJKBUDII-UHFFFAOYSA-N -1 0 323.353 -0.592 20 0 DBADRM COc1cc(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001033027416 679103495 /nfs/dbraw/zinc/10/34/95/679103495.db2.gz YAXXTNPYBAMHRK-QMMMGPOBSA-N -1 0 322.325 -0.147 20 0 DBADRM CN(C(=O)c1ncccc1O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033034498 679106166 /nfs/dbraw/zinc/10/61/66/679106166.db2.gz BHBBPHSBRBJFGZ-SECBINFHSA-N -1 0 318.337 -0.043 20 0 DBADRM CC(=O)N1CC(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001033039081 679106883 /nfs/dbraw/zinc/10/68/83/679106883.db2.gz YCAWPLHHMRCMDW-LLVKDONJSA-N -1 0 322.369 -0.979 20 0 DBADRM O=C([O-])c1cccc(NCCS(=O)(=O)N2CCOCC2)n1 ZINC000841495820 805573966 /nfs/dbraw/zinc/57/39/66/805573966.db2.gz MHVKYKUXSYZYOM-UHFFFAOYSA-N -1 0 315.351 -0.146 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@]2(C)CCNC2=O)c1[O-] ZINC001295653516 805580729 /nfs/dbraw/zinc/58/07/29/805580729.db2.gz ORXDSIKCUGADCC-JKYUHCHBSA-N -1 0 323.353 -0.816 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001295699327 805584911 /nfs/dbraw/zinc/58/49/11/805584911.db2.gz DSTFSDNXUWJQEJ-OTVCUZDGSA-N -1 0 323.353 -0.380 20 0 DBADRM COc1ccccc1CO[N-]C(=O)C(=O)NCC(F)(F)CN ZINC000842270952 805589841 /nfs/dbraw/zinc/58/98/41/805589841.db2.gz PWPNCAYLVOYTBM-UHFFFAOYSA-N -1 0 317.292 -0.047 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccn1 ZINC000842356231 805590643 /nfs/dbraw/zinc/59/06/43/805590643.db2.gz SIBIXZGQGHJNAQ-SECBINFHSA-N -1 0 316.335 -0.142 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)CC1=O ZINC000842326806 805590831 /nfs/dbraw/zinc/59/08/31/805590831.db2.gz GAPJMJJWBKOIEC-GHMZBOCLSA-N -1 0 318.395 -0.273 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CCC)C1 ZINC000842319877 805591035 /nfs/dbraw/zinc/59/10/35/805591035.db2.gz RACOYTQANWBAPS-JTQLQIEISA-N -1 0 305.400 -0.052 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cnn2ccccc12 ZINC000842357317 805591167 /nfs/dbraw/zinc/59/11/67/805591167.db2.gz ZLYMIUFSNOZNSK-UHFFFAOYSA-N -1 0 311.319 -0.043 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)CC1=O ZINC000842331590 805591218 /nfs/dbraw/zinc/59/12/18/805591218.db2.gz GYHIHQXOLWEMBA-WDEREUQCSA-N -1 0 318.395 -0.130 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2cn(C)cn2)CC1=O ZINC000842376601 805592127 /nfs/dbraw/zinc/59/21/27/805592127.db2.gz RWQTWGCJFYEUJO-SECBINFHSA-N -1 0 314.367 -0.517 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCCN2C(=O)CSC2=O)cn1 ZINC000842553577 805593183 /nfs/dbraw/zinc/59/31/83/805593183.db2.gz IDGUVGFGKUHEPU-UHFFFAOYSA-N -1 0 310.291 -0.400 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)C1(F)CC1 ZINC000842710126 805597129 /nfs/dbraw/zinc/59/71/29/805597129.db2.gz DHHWCEHORTWSCI-MRVPVSSYSA-N -1 0 308.331 -0.123 20 0 DBADRM CC(C)Cn1nccc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000842723314 805597869 /nfs/dbraw/zinc/59/78/69/805597869.db2.gz SOQDKEOOVBUSNA-UHFFFAOYSA-N -1 0 316.383 -0.154 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C)S1(=O)=O ZINC000842715225 805598229 /nfs/dbraw/zinc/59/82/29/805598229.db2.gz QVAZKHMBODZDDS-QMMMGPOBSA-N -1 0 312.413 -0.488 20 0 DBADRM Cc1nccc(CCC(=O)[N-]S(=O)(=O)N2CCOCC2)n1 ZINC000842722447 805598378 /nfs/dbraw/zinc/59/83/78/805598378.db2.gz HKOXRAQVOFWPSN-UHFFFAOYSA-N -1 0 314.367 -0.589 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)CC(F)(F)F)S1(=O)=O ZINC000842725135 805598442 /nfs/dbraw/zinc/59/84/42/805598442.db2.gz QCVSASONRFFYGL-RXMQYKEDSA-N -1 0 324.302 -0.971 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)C12CC(C(=O)OC)(C1)C2 ZINC000842717308 805598554 /nfs/dbraw/zinc/59/85/54/805598554.db2.gz XFYLTMMCJOTUHT-HUUUCTMMSA-N -1 0 305.352 -0.189 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccnn1CC(C)C ZINC000842714506 805598613 /nfs/dbraw/zinc/59/86/13/805598613.db2.gz RKRPQEFYLBHJQM-UHFFFAOYSA-N -1 0 303.340 -0.228 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(OC)ccn1 ZINC000842754867 805599183 /nfs/dbraw/zinc/59/91/83/805599183.db2.gz AOHNBCQLLBYACK-SSDOTTSWSA-N -1 0 302.308 -0.289 20 0 DBADRM C[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3cnnn3C)c2C1 ZINC000842770121 805599999 /nfs/dbraw/zinc/59/99/99/805599999.db2.gz JOIUREDTPUHWKN-QMMMGPOBSA-N -1 0 324.366 -0.287 20 0 DBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)(C1)C2 ZINC000842775315 805601562 /nfs/dbraw/zinc/60/15/62/805601562.db2.gz YAOCSSXPFWLJRS-RKWZHAFESA-N -1 0 305.352 -0.189 20 0 DBADRM CN(CCNC(=O)C=C1CCC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001296039976 805604853 /nfs/dbraw/zinc/60/48/53/805604853.db2.gz GQVHVBPEYCNBRS-UHFFFAOYSA-N -1 0 309.326 -0.626 20 0 DBADRM CC(C)C[C@H](NN(C)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000843043782 805606355 /nfs/dbraw/zinc/60/63/55/805606355.db2.gz HARQRCURDNAPIF-NSHDSACASA-N -1 0 307.416 -0.042 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC2(CC1)OCCO2 ZINC000843259016 805613313 /nfs/dbraw/zinc/61/33/13/805613313.db2.gz HLZCMPNWUCKRFT-UHFFFAOYSA-N -1 0 300.311 -0.667 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cn1 ZINC000843333057 805618086 /nfs/dbraw/zinc/61/80/86/805618086.db2.gz IAJIBSBAPXWQIV-MRVPVSSYSA-N -1 0 318.293 -0.318 20 0 DBADRM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)C(N)=O ZINC000843564706 805631337 /nfs/dbraw/zinc/63/13/37/805631337.db2.gz GNJRSDZVJAMGIM-ZCFIWIBFSA-N -1 0 306.347 -0.174 20 0 DBADRM C/C=C(/C)C(=O)NC[C@@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001296413879 805633871 /nfs/dbraw/zinc/63/38/71/805633871.db2.gz RMYOXGIWUVIGOG-CHDHTGKKSA-N -1 0 321.337 -0.030 20 0 DBADRM C/C=C(\C)C(=O)NC[C@@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001296413881 805634058 /nfs/dbraw/zinc/63/40/58/805634058.db2.gz RMYOXGIWUVIGOG-IPQKIJNHSA-N -1 0 321.337 -0.030 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000843768950 805634246 /nfs/dbraw/zinc/63/42/46/805634246.db2.gz DSHZJIQFBFAHPJ-UHFFFAOYSA-N -1 0 315.351 -0.656 20 0 DBADRM CC(C)Cn1nccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000843867117 805637674 /nfs/dbraw/zinc/63/76/74/805637674.db2.gz WSZSMEZILYMAPU-UHFFFAOYSA-N -1 0 316.383 -0.265 20 0 DBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)[N-]OCCO)cc1 ZINC000843859941 805638066 /nfs/dbraw/zinc/63/80/66/805638066.db2.gz VCQMWEVKFLSHGV-UHFFFAOYSA-N -1 0 316.335 -0.792 20 0 DBADRM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(=O)[nH][n-]2)C1 ZINC000844095979 805646129 /nfs/dbraw/zinc/64/61/29/805646129.db2.gz BQWZOMGYEUWOQB-SNVBAGLBSA-N -1 0 306.244 -0.611 20 0 DBADRM O=C([O-])COCC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000844244844 805654216 /nfs/dbraw/zinc/65/42/16/805654216.db2.gz AKWKSPWVCQVVIP-UHFFFAOYSA-N -1 0 321.289 -0.222 20 0 DBADRM CN(C(=O)COCC(=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000844243294 805654254 /nfs/dbraw/zinc/65/42/54/805654254.db2.gz VLGYYYJCTKALDL-NXEZZACHSA-N -1 0 307.368 -0.098 20 0 DBADRM Cc1nsc(N2CCN(C(=O)COCC(=O)[O-])CC2)n1 ZINC000844242848 805654293 /nfs/dbraw/zinc/65/42/93/805654293.db2.gz MJVPBTHFLXSAMG-UHFFFAOYSA-N -1 0 300.340 -0.404 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000844244904 805654367 /nfs/dbraw/zinc/65/43/67/805654367.db2.gz FBRGJZNIGNPYCC-NXEZZACHSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C([O-])COCC(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000844242551 805654491 /nfs/dbraw/zinc/65/44/91/805654491.db2.gz DWNUVKQMLXTKOZ-UHFFFAOYSA-N -1 0 313.354 -0.162 20 0 DBADRM O=C([O-])CCCC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000844250465 805655244 /nfs/dbraw/zinc/65/52/44/805655244.db2.gz JVMMFFSVDJWHDQ-UHFFFAOYSA-N -1 0 324.424 -0.264 20 0 DBADRM O=C([O-])COCC(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000844246303 805655319 /nfs/dbraw/zinc/65/53/19/805655319.db2.gz CJIQRIGHVZZERI-UHFFFAOYSA-N -1 0 321.289 -0.222 20 0 DBADRM CN(CCc1ccccn1)C(=O)CNC(=O)COCC(=O)[O-] ZINC000844253249 805655437 /nfs/dbraw/zinc/65/54/37/805655437.db2.gz XSLUNQPHJGNFSF-UHFFFAOYSA-N -1 0 309.322 -0.700 20 0 DBADRM O=C([O-])COCC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000844250426 805655686 /nfs/dbraw/zinc/65/56/86/805655686.db2.gz SDSOOJUIAZELJC-UWVGGRQHSA-N -1 0 305.352 -0.344 20 0 DBADRM COc1ccc(CNC(=O)CNC(=O)COCC(=O)[O-])cc1 ZINC000844246428 805655691 /nfs/dbraw/zinc/65/56/91/805655691.db2.gz VMFXWVBDMGVLLF-UHFFFAOYSA-N -1 0 310.306 -0.471 20 0 DBADRM CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COCC(=O)[O-] ZINC000844255016 805656212 /nfs/dbraw/zinc/65/62/12/805656212.db2.gz GQPVMNOEPOSNGG-LBPRGKRZSA-N -1 0 306.318 -0.213 20 0 DBADRM CCOC(=O)[C@@H](NC(=O)COCC(=O)[O-])[C@@H]1CCCOC1 ZINC000844255622 805656483 /nfs/dbraw/zinc/65/64/83/805656483.db2.gz WYBKUSYTCYJTJS-SKDRFNHKSA-N -1 0 303.311 -0.438 20 0 DBADRM C/C=C(\C)C(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001296928781 805656737 /nfs/dbraw/zinc/65/67/37/805656737.db2.gz NTRHZMCOURFLPM-IPQKIJNHSA-N -1 0 321.337 -0.030 20 0 DBADRM CC/C=C(/C)C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001297013646 805661110 /nfs/dbraw/zinc/66/11/10/805661110.db2.gz QRHQPXVAWOVMNU-UITAMQMPSA-N -1 0 320.349 -0.217 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000844549441 805663092 /nfs/dbraw/zinc/66/30/92/805663092.db2.gz PEKAGOWIWNJGQN-UHFFFAOYSA-N -1 0 312.330 -0.840 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000844793266 805671876 /nfs/dbraw/zinc/67/18/76/805671876.db2.gz MBJQMDPJYYYJRD-RKDXNWHRSA-N -1 0 320.392 -0.156 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCOCC2)CC1 ZINC000844787138 805671889 /nfs/dbraw/zinc/67/18/89/805671889.db2.gz SQUVECSJSJERAD-SNVBAGLBSA-N -1 0 307.368 -0.035 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCOC2)C[C@H](C(=O)[O-])O1 ZINC000844824377 805673314 /nfs/dbraw/zinc/67/33/14/805673314.db2.gz HEWFAUVCIIIJCE-GMTAPVOTSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H](Cc1ccncn1)C(=O)[O-] ZINC000844806270 805673474 /nfs/dbraw/zinc/67/34/74/805673474.db2.gz VIUWCMHHPGHAJK-INTQDDNPSA-N -1 0 315.351 -0.431 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)cc1C(=O)[O-] ZINC000844899933 805674739 /nfs/dbraw/zinc/67/47/39/805674739.db2.gz IKSFTJODPMBSOL-FZIOLRSQSA-N -1 0 318.376 -0.383 20 0 DBADRM C[C@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)n1ccnc1 ZINC000845476665 805706051 /nfs/dbraw/zinc/70/60/51/805706051.db2.gz WYVJOLSOPPGBQU-SNVBAGLBSA-N -1 0 302.356 -0.473 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)C(C)(C)CNC(C)=O ZINC000845491782 805707260 /nfs/dbraw/zinc/70/72/60/805707260.db2.gz PUWONRCWCKTNDR-UHFFFAOYSA-N -1 0 324.399 -0.742 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)C[C@H](C)n1ccnc1 ZINC000845491001 805707722 /nfs/dbraw/zinc/70/77/22/805707722.db2.gz AVQKAHCRZJIZOA-NSHDSACASA-N -1 0 319.383 -0.057 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@H](C)n1ccnc1 ZINC000845512800 805708097 /nfs/dbraw/zinc/70/80/97/805708097.db2.gz GEPZPHRGTNDUBO-DTWKUNHWSA-N -1 0 303.340 -0.158 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@@H](C)n1ccnc1 ZINC000845512802 805708347 /nfs/dbraw/zinc/70/83/47/805708347.db2.gz GEPZPHRGTNDUBO-RKDXNWHRSA-N -1 0 303.340 -0.158 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000845530334 805709492 /nfs/dbraw/zinc/70/94/92/805709492.db2.gz LHBVDPQOQQINMX-UTUOFQBUSA-N -1 0 315.370 -0.375 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1COc2ccccc2[C@H]1O ZINC000845531099 805709574 /nfs/dbraw/zinc/70/95/74/805709574.db2.gz AWPPCKIKBKHBEM-ZWNOBZJWSA-N -1 0 309.322 -0.152 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC([C@H](F)C(=O)OCC)C1 ZINC000845531731 805709779 /nfs/dbraw/zinc/70/97/79/805709779.db2.gz GRTKACKYBBNDNF-JTQLQIEISA-N -1 0 305.306 -0.403 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000845532866 805709885 /nfs/dbraw/zinc/70/98/85/805709885.db2.gz SOPWVGTVPILHRB-SNVBAGLBSA-N -1 0 321.399 -0.480 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000845535868 805710938 /nfs/dbraw/zinc/71/09/38/805710938.db2.gz UMRKWUDBMXVGMU-RYUDHWBXSA-N -1 0 314.386 -0.441 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000845536607 805711830 /nfs/dbraw/zinc/71/18/30/805711830.db2.gz BOWCPYSZLDJLQW-NSHDSACASA-N -1 0 314.386 -0.048 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)[C@H](C)CN1CCOCC1 ZINC000845539272 805711888 /nfs/dbraw/zinc/71/18/88/805711888.db2.gz UXJXTULWTDCLJX-LLVKDONJSA-N -1 0 302.375 -0.584 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000845539806 805712101 /nfs/dbraw/zinc/71/21/01/805712101.db2.gz JHSXGLBMNNTXKE-SECBINFHSA-N -1 0 307.372 -0.727 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000845545296 805714524 /nfs/dbraw/zinc/71/45/24/805714524.db2.gz PNNRSGSHOHBODF-NXEZZACHSA-N -1 0 321.399 -0.291 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000845546322 805714710 /nfs/dbraw/zinc/71/47/10/805714710.db2.gz QWGBJLJBAGMQCL-BDAKNGLRSA-N -1 0 309.388 -0.483 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCNC(=O)c1ccccc1 ZINC000845550492 805715313 /nfs/dbraw/zinc/71/53/13/805715313.db2.gz SLLLJWLAURLOOC-UHFFFAOYSA-N -1 0 308.338 -0.217 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000845553496 805715595 /nfs/dbraw/zinc/71/55/95/805715595.db2.gz WAPDOIJDVBXXCZ-UHFFFAOYSA-N -1 0 314.386 -0.046 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCN(C(=O)OCC)CC1 ZINC000845550984 805715991 /nfs/dbraw/zinc/71/59/91/805715991.db2.gz UBKHUPLWPOHTMS-UHFFFAOYSA-N -1 0 316.358 -0.072 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC(=O)N1CCc2ccccc21 ZINC000845549000 805716023 /nfs/dbraw/zinc/71/60/23/805716023.db2.gz RVRHZDFXUZPRCZ-UHFFFAOYSA-N -1 0 320.349 -0.057 20 0 DBADRM CCn1ccc(CC(=O)[N-]S(=O)(=O)c2cnn(C)c2C)n1 ZINC000845575860 805719950 /nfs/dbraw/zinc/71/99/50/805719950.db2.gz JXWDVJWBMGTARF-UHFFFAOYSA-N -1 0 311.367 -0.007 20 0 DBADRM CCO[N-]C(=O)CNc1cc(C)nc2nc(C(=O)OC)nn21 ZINC000845715544 805723512 /nfs/dbraw/zinc/72/35/12/805723512.db2.gz NQANRLUQVBRFJG-UHFFFAOYSA-N -1 0 308.298 -0.301 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)C2(C)COC2)c1 ZINC000845883230 805730842 /nfs/dbraw/zinc/73/08/42/805730842.db2.gz MUGNDZAQVQJMGL-UHFFFAOYSA-N -1 0 303.292 -0.092 20 0 DBADRM COC(=O)c1cc(C)sc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000845945432 805735651 /nfs/dbraw/zinc/73/56/51/805735651.db2.gz FDGSZUBJVDTHPE-UHFFFAOYSA-N -1 0 315.307 -0.685 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)NCCc1n[n-]c(=S)o1 ZINC000845954560 805737948 /nfs/dbraw/zinc/73/79/48/805737948.db2.gz ZZIIQSOFONOUBF-UHFFFAOYSA-N -1 0 324.366 -0.588 20 0 DBADRM CO[C@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)C(F)(F)F ZINC000846000690 805738649 /nfs/dbraw/zinc/73/86/49/805738649.db2.gz SFWNTLCUXSQJCK-ZCFIWIBFSA-N -1 0 320.289 -0.464 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000846003804 805739632 /nfs/dbraw/zinc/73/96/32/805739632.db2.gz OZKIQNVILLCMJR-UHFFFAOYSA-N -1 0 320.323 -0.279 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000846003522 805739850 /nfs/dbraw/zinc/73/98/50/805739850.db2.gz FGPGHUAQLCVNHX-VIFPVBQESA-N -1 0 318.355 -0.810 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000846002872 805740045 /nfs/dbraw/zinc/74/00/45/805740045.db2.gz NZOJQQKWAVQIGU-UHFFFAOYSA-N -1 0 302.356 -0.361 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000846002091 805740220 /nfs/dbraw/zinc/74/02/20/805740220.db2.gz BIPMBNDWCKHQOE-UHFFFAOYSA-N -1 0 322.383 -0.293 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000846002335 805740295 /nfs/dbraw/zinc/74/02/95/805740295.db2.gz NYLKXLKTRQUMNX-UHFFFAOYSA-N -1 0 322.364 -0.119 20 0 DBADRM CC(C)(CO)O[N-]C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001298078211 805743387 /nfs/dbraw/zinc/74/33/87/805743387.db2.gz RJYQSPAHYHDPGE-JTQLQIEISA-N -1 0 315.351 -0.465 20 0 DBADRM Cn1cc(CN(CCn2ccnc2)C(=O)c2cc(=O)[nH][n-]2)cn1 ZINC000846095335 805744056 /nfs/dbraw/zinc/74/40/56/805744056.db2.gz MXGGVUKCKQIQIM-UHFFFAOYSA-N -1 0 315.337 -0.479 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000846132531 805745166 /nfs/dbraw/zinc/74/51/66/805745166.db2.gz HWNBJWYVEDHWRV-UHFFFAOYSA-N -1 0 319.321 -0.006 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cnccc1SC ZINC000846131165 805745381 /nfs/dbraw/zinc/74/53/81/805745381.db2.gz LNVMENFOQUFLSY-UHFFFAOYSA-N -1 0 312.351 -0.074 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccccc1CCOC ZINC000846132893 805745619 /nfs/dbraw/zinc/74/56/19/805745619.db2.gz GNKVKDNZMWWSOZ-UHFFFAOYSA-N -1 0 323.349 -0.002 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCc2cc(F)ccc21 ZINC000846132998 805745643 /nfs/dbraw/zinc/74/56/43/805745643.db2.gz RQOVRBIKMNHIOS-UHFFFAOYSA-N -1 0 309.297 -0.101 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1nc(C)c(C)s1 ZINC000846133562 805746180 /nfs/dbraw/zinc/74/61/80/805746180.db2.gz VJPVNLIGMRXCJL-UHFFFAOYSA-N -1 0 300.340 -0.118 20 0 DBADRM CCC[C@@H](C)[C@@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000846369431 805754551 /nfs/dbraw/zinc/75/45/51/805754551.db2.gz XORWBZZWJWCRQT-MWLCHTKSSA-N -1 0 307.354 -0.016 20 0 DBADRM C[C@H](CO)C1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000846471095 805755195 /nfs/dbraw/zinc/75/51/95/805755195.db2.gz BWJBNSVJLKHOLX-SNVBAGLBSA-N -1 0 319.365 -0.062 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@](C)(O)Cn1c(C)cccc1=O ZINC000846491803 805756876 /nfs/dbraw/zinc/75/68/76/805756876.db2.gz SSHLRKDOIYCTKF-CQSZACIVSA-N -1 0 311.338 -0.908 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000846492841 805756949 /nfs/dbraw/zinc/75/69/49/805756949.db2.gz FCFMGWZYNCNWDN-UHFFFAOYSA-N -1 0 315.276 -0.122 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C ZINC000846491473 805757105 /nfs/dbraw/zinc/75/71/05/805757105.db2.gz RQPVASUTCDZTPY-SECBINFHSA-N -1 0 308.342 -0.253 20 0 DBADRM CCO[N-]C(=O)CNC(=O)COc1cccc(C(=O)NC)c1 ZINC000846493729 805757169 /nfs/dbraw/zinc/75/71/69/805757169.db2.gz KIUZFKWAWFNOCQ-UHFFFAOYSA-N -1 0 309.322 -0.391 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000846497373 805757934 /nfs/dbraw/zinc/75/79/34/805757934.db2.gz BGDQHQTXKJXASN-UHFFFAOYSA-N -1 0 308.294 -0.368 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CSCC(=O)N1CCCCC1 ZINC000846496469 805757943 /nfs/dbraw/zinc/75/79/43/805757943.db2.gz LQRXJSKOIBDMLE-UHFFFAOYSA-N -1 0 317.411 -0.084 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cnc2cc(C)ccn2c1=O ZINC000846497524 805757951 /nfs/dbraw/zinc/75/79/51/805757951.db2.gz PBKVMTSVNSVYDO-UHFFFAOYSA-N -1 0 304.306 -0.200 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000846494213 805758358 /nfs/dbraw/zinc/75/83/58/805758358.db2.gz DMCPYPBYZCKLOS-UHFFFAOYSA-N -1 0 311.342 -0.309 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000846496944 805758442 /nfs/dbraw/zinc/75/84/42/805758442.db2.gz INBMLYJWJIWNBV-LLVKDONJSA-N -1 0 307.306 -0.040 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000846498493 805758912 /nfs/dbraw/zinc/75/89/12/805758912.db2.gz ZDKLUKLCHXBQRW-UHFFFAOYSA-N -1 0 311.313 -0.332 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000846498366 805759135 /nfs/dbraw/zinc/75/91/35/805759135.db2.gz UFBJUXJUCLJRME-UHFFFAOYSA-N -1 0 319.314 -0.729 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000846499059 805759399 /nfs/dbraw/zinc/75/93/99/805759399.db2.gz KLNUEJHBRSWUHS-UWVGGRQHSA-N -1 0 311.338 -0.655 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C[C@H](NC(N)=O)c1ccccc1 ZINC000846499840 805759497 /nfs/dbraw/zinc/75/94/97/805759497.db2.gz YRFZVSUUBQRGTE-NSHDSACASA-N -1 0 308.338 -0.030 20 0 DBADRM COC(=O)[C@H](NC(=O)c1cc(=O)[nH][n-]1)[C@H]1CCC[C@H](OC)C1 ZINC000846596114 805765072 /nfs/dbraw/zinc/76/50/72/805765072.db2.gz QJGOUBTYVCSSQP-HOTUBEGUSA-N -1 0 311.338 -0.275 20 0 DBADRM CC(F)(F)C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001298218715 805768935 /nfs/dbraw/zinc/76/89/35/805768935.db2.gz YVJOYBRHMIUZFM-NSCUHMNNSA-N -1 0 317.252 -0.660 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000846713496 805771883 /nfs/dbraw/zinc/77/18/83/805771883.db2.gz GLDRIUDCAGVGEN-GFVADAIESA-N -1 0 309.322 -0.581 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000846711635 805772477 /nfs/dbraw/zinc/77/24/77/805772477.db2.gz BKJYXTKMJOQNEQ-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000846722948 805773723 /nfs/dbraw/zinc/77/37/23/805773723.db2.gz CORZSIJXVOCPGZ-LLVKDONJSA-N -1 0 312.301 -0.281 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)[N-]O[C@H](CO)C(C)C)C1=O ZINC001298376884 805794363 /nfs/dbraw/zinc/79/43/63/805794363.db2.gz HGSKZGOLFMJGNR-WDEREUQCSA-N -1 0 316.354 -0.537 20 0 DBADRM CC1(C(=O)NCC=CCNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001298435909 805802847 /nfs/dbraw/zinc/80/28/47/805802847.db2.gz NOUXADWJQPYTDF-IHWYPQMZSA-N -1 0 307.310 -0.515 20 0 DBADRM CC1=C(C(=O)NCc2n[nH]c(=O)[n-]2)[C@@H](C)n2nnnc2N1C ZINC000847544336 805806762 /nfs/dbraw/zinc/80/67/62/805806762.db2.gz IVBSYNCANFOMFD-ZCFIWIBFSA-N -1 0 305.302 -0.902 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)NC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001298490140 805809059 /nfs/dbraw/zinc/80/90/59/805809059.db2.gz GIUUOJNBGPABAY-NBYFHADBSA-N -1 0 323.353 -0.476 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)NC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001298490137 805809089 /nfs/dbraw/zinc/80/90/89/805809089.db2.gz GIUUOJNBGPABAY-JAFKPYBISA-N -1 0 323.353 -0.476 20 0 DBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)C2CCCCC2)c(=O)n1C ZINC000847635206 805809608 /nfs/dbraw/zinc/80/96/08/805809608.db2.gz BUQCQPBJLSLHJF-UHFFFAOYSA-N -1 0 316.383 -0.331 20 0 DBADRM CCCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cn1 ZINC000847618490 805810190 /nfs/dbraw/zinc/81/01/90/805810190.db2.gz NXJRZVZBFZRNHC-UHFFFAOYSA-N -1 0 310.339 -0.083 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc2c(n1)OCCO2 ZINC000847652031 805810687 /nfs/dbraw/zinc/81/06/87/805810687.db2.gz POQLNSGFCJDIPZ-UHFFFAOYSA-N -1 0 301.324 -0.221 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cnc(N(C)C)cn1 ZINC000847643803 805811133 /nfs/dbraw/zinc/81/11/33/805811133.db2.gz HKZYHRFRWYLFLK-UHFFFAOYSA-N -1 0 302.356 -0.361 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cc(OC)cnc1F ZINC000847643636 805811294 /nfs/dbraw/zinc/81/12/94/805811294.db2.gz FDBGNRRMPGCNLC-UHFFFAOYSA-N -1 0 306.271 -0.538 20 0 DBADRM CN(C)c1cnc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)cn1 ZINC000847677678 805812106 /nfs/dbraw/zinc/81/21/06/805812106.db2.gz JWXQIJMMRSQPKI-SECBINFHSA-N -1 0 314.367 -0.219 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc2c(n1)OCCO2 ZINC000847694676 805812528 /nfs/dbraw/zinc/81/25/28/805812528.db2.gz NOMNSVRKAAEUHL-QMMMGPOBSA-N -1 0 316.335 -0.053 20 0 DBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)COC2CCCC2)on1 ZINC000847995422 805818738 /nfs/dbraw/zinc/81/87/38/805818738.db2.gz FRUIPODPBDCLSQ-UHFFFAOYSA-N -1 0 317.323 -0.462 20 0 DBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2cc3n(n2)CCC3)cn1 ZINC000847849001 805815959 /nfs/dbraw/zinc/81/59/59/805815959.db2.gz ZFMNRZRHXYWDHH-UHFFFAOYSA-N -1 0 309.351 -0.177 20 0 DBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cn1 ZINC000847849006 805816669 /nfs/dbraw/zinc/81/66/69/805816669.db2.gz ZKSGJWYSDMMOBG-GDPRMGEGSA-N -1 0 311.363 -0.019 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)n1 ZINC000847847648 805816687 /nfs/dbraw/zinc/81/66/87/805816687.db2.gz PAEFLEZHKKMUIA-UHFFFAOYSA-N -1 0 312.355 -0.400 20 0 DBADRM CCCCOCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995562 805818900 /nfs/dbraw/zinc/81/89/00/805818900.db2.gz GKHWTPRBUAUZNF-UHFFFAOYSA-N -1 0 305.312 -0.605 20 0 DBADRM CC[C@H](C)OCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847997408 805819103 /nfs/dbraw/zinc/81/91/03/805819103.db2.gz RQMZSBVWTSMUNC-LURJTMIESA-N -1 0 305.312 -0.607 20 0 DBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCCO2)on1 ZINC000847995544 805819223 /nfs/dbraw/zinc/81/92/23/805819223.db2.gz GCEAUEYMWGQQCP-ZETCQYMHSA-N -1 0 317.323 -0.462 20 0 DBADRM CSCCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996039 805819325 /nfs/dbraw/zinc/81/93/25/805819325.db2.gz IVXJVJUVVUTOGJ-UHFFFAOYSA-N -1 0 307.353 -0.278 20 0 DBADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)C(C)(F)F ZINC000847997848 805819346 /nfs/dbraw/zinc/81/93/46/805819346.db2.gz CELFDJZOEBVHIB-BYPYZUCNSA-N -1 0 311.266 -0.130 20 0 DBADRM CC(C)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998152 805819662 /nfs/dbraw/zinc/81/96/62/805819662.db2.gz NICIBVUBNCHGTK-NKWVEPMBSA-N -1 0 301.324 -0.130 20 0 DBADRM CC(C)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998154 805819710 /nfs/dbraw/zinc/81/97/10/805819710.db2.gz NICIBVUBNCHGTK-RQJHMYQMSA-N -1 0 301.324 -0.130 20 0 DBADRM O=C(NC[C@H](CO)Cc1ccncc1Cl)c1cc(=O)[nH][n-]1 ZINC000848020167 805820975 /nfs/dbraw/zinc/82/09/75/805820975.db2.gz VIFCYSWXXAVVIK-MRVPVSSYSA-N -1 0 310.741 -0.122 20 0 DBADRM C[C@H](CNC(=O)[C@@]1(C)C=CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001298658089 805822962 /nfs/dbraw/zinc/82/29/62/805822962.db2.gz CIBSKBXAKAXUPQ-CLAHSXSESA-N -1 0 321.337 -0.126 20 0 DBADRM CCO/C=C/[C@](O)(CNC(=O)c1cc(=O)[nH][n-]1)C(F)(F)F ZINC000848182763 805830105 /nfs/dbraw/zinc/83/01/05/805830105.db2.gz SURPITYQTQDIEC-FSIBCCDJSA-N -1 0 309.244 -0.178 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CC=CC1 ZINC001298756461 805830412 /nfs/dbraw/zinc/83/04/12/805830412.db2.gz OVRXDHLGYKHEAF-QMMMGPOBSA-N -1 0 309.326 -0.724 20 0 DBADRM CC(C)(CO)[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC000848252336 805832379 /nfs/dbraw/zinc/83/23/79/805832379.db2.gz XPKXDAHXACSWBD-GFCCVEGCSA-N -1 0 319.365 -0.016 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC000848386881 805837137 /nfs/dbraw/zinc/83/71/37/805837137.db2.gz YYVLXDZNZKBVIT-UHFFFAOYSA-N -1 0 300.315 -0.720 20 0 DBADRM CN1C(=O)CN([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CC3)C1=O ZINC000848448864 805837915 /nfs/dbraw/zinc/83/79/15/805837915.db2.gz WJXIGSTTWFLEPD-UHFFFAOYSA-N -1 0 323.330 -0.097 20 0 DBADRM CNS(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848506885 805840353 /nfs/dbraw/zinc/84/03/53/805840353.db2.gz FKIMLBVDSFFGOA-RNFRBKRXSA-N -1 0 303.306 -0.018 20 0 DBADRM C[C@@H](CNC(=O)NC[C@H]1COC2(CCOCC2)O1)C(=O)[O-] ZINC000848581657 805841438 /nfs/dbraw/zinc/84/14/38/805841438.db2.gz WRRCVESRANYHGW-UWVGGRQHSA-N -1 0 302.327 -0.072 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)CCO1 ZINC000848595558 805841463 /nfs/dbraw/zinc/84/14/63/805841463.db2.gz YZERJIUEPHFJIF-VHSXEESVSA-N -1 0 313.310 -0.535 20 0 DBADRM CC(=O)OC1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000848608938 805842024 /nfs/dbraw/zinc/84/20/24/805842024.db2.gz CXOPLNULBJZHTD-MRVPVSSYSA-N -1 0 300.311 -0.623 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCC1(C)OCCO1)C(=O)[O-] ZINC000848609046 805842402 /nfs/dbraw/zinc/84/24/02/805842402.db2.gz CPHOPFJXEHMVNP-JTQLQIEISA-N -1 0 316.354 -0.271 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCC[S@@](=O)C(C)(C)C)C(=O)[O-] ZINC000848608051 805842556 /nfs/dbraw/zinc/84/25/56/805842556.db2.gz OVOPQUXJLHJUDJ-ZPWHCFADSA-N -1 0 306.384 -0.513 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848611708 805842762 /nfs/dbraw/zinc/84/27/62/805842762.db2.gz RTVUYJVBNGOWEQ-VIFPVBQESA-N -1 0 313.310 -0.933 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC(c2cn[nH]c2)CC1)C(=O)[O-] ZINC000848609792 805842879 /nfs/dbraw/zinc/84/28/79/805842879.db2.gz JEVZNEQJAWCCLS-VIFPVBQESA-N -1 0 308.338 -0.047 20 0 DBADRM CCN1CC[C@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1=O ZINC000848610497 805843075 /nfs/dbraw/zinc/84/30/75/805843075.db2.gz MAXJYILEQFULFS-ZJUUUORDSA-N -1 0 313.354 -0.804 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000848611123 805843273 /nfs/dbraw/zinc/84/32/73/805843273.db2.gz ZIERRVRLJOHTNI-VIFPVBQESA-N -1 0 322.383 -0.895 20 0 DBADRM CCN1CC[C@@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1=O ZINC000848610490 805843444 /nfs/dbraw/zinc/84/34/44/805843444.db2.gz MAXJYILEQFULFS-NXEZZACHSA-N -1 0 313.354 -0.804 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1(C)OCCO1 ZINC000848612008 805843467 /nfs/dbraw/zinc/84/34/67/805843467.db2.gz UZEFRSVMMODJBE-ZJUUUORDSA-N -1 0 316.354 -0.271 20 0 DBADRM CCN1CC[C@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1=O ZINC000848610494 805843525 /nfs/dbraw/zinc/84/35/25/805843525.db2.gz MAXJYILEQFULFS-UWVGGRQHSA-N -1 0 313.354 -0.804 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848613513 805844071 /nfs/dbraw/zinc/84/40/71/805844071.db2.gz JTQNTFNAYQPNOJ-VIFPVBQESA-N -1 0 313.310 -0.981 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000848637086 805844533 /nfs/dbraw/zinc/84/45/33/805844533.db2.gz ILTVCFNPXGLGIG-ZDUSSCGKSA-N -1 0 310.310 -0.340 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)[C@@H]2CCCS2(=O)=O)CCCOC1 ZINC000848876899 805851985 /nfs/dbraw/zinc/85/19/85/805851985.db2.gz OZALOBSIXBOUPZ-CABZTGNLSA-N -1 0 305.352 -0.296 20 0 DBADRM NS(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(Cl)n1 ZINC000848957014 805853367 /nfs/dbraw/zinc/85/33/67/805853367.db2.gz JRDMFOGMHUCPNQ-UHFFFAOYSA-N -1 0 314.776 -0.450 20 0 DBADRM CCOC(=O)[C@H](O)Cn1cc(C[N-]C(=O)C(F)(F)F)nn1 ZINC000849137545 805857997 /nfs/dbraw/zinc/85/79/97/805857997.db2.gz UDNVDGMAWZPSTK-SSDOTTSWSA-N -1 0 310.232 -0.619 20 0 DBADRM O=C(C[C@]1(C(=O)[O-])CCOC1)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000849181605 805858451 /nfs/dbraw/zinc/85/84/51/805858451.db2.gz REHKJGBBSDNDSK-QMTHXVAHSA-N -1 0 312.322 -0.033 20 0 DBADRM O=C(C[C@@]1(C(=O)[O-])CCOC1)NCCS(=O)(=O)CC1CC1 ZINC000849180932 805858615 /nfs/dbraw/zinc/85/86/15/805858615.db2.gz DIKFTPKSHPMWRV-ZDUSSCGKSA-N -1 0 319.379 -0.191 20 0 DBADRM COC1CCN(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])CC1 ZINC000849219057 805860200 /nfs/dbraw/zinc/86/02/00/805860200.db2.gz MOXQCJFSMCCANI-LBPRGKRZSA-N -1 0 324.399 -0.595 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(OC)CC1 ZINC000849218433 805860334 /nfs/dbraw/zinc/86/03/34/805860334.db2.gz VZMKUWRLVSHYOU-UHFFFAOYSA-N -1 0 324.399 -0.235 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)[N-]OCc1ccccn1 ZINC001299115525 805861195 /nfs/dbraw/zinc/86/11/95/805861195.db2.gz JCRFCOIQFKPKNE-UHFFFAOYSA-N -1 0 317.367 -0.415 20 0 DBADRM CO[C@H](CNC(=O)N1CCOC[C@H]1C(=O)[O-])[C@H]1CCOC1 ZINC000849238268 805861298 /nfs/dbraw/zinc/86/12/98/805861298.db2.gz UMKDLDWKHZGBHV-GARJFASQSA-N -1 0 302.327 -0.467 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cn2c(n1)CCCC2 ZINC000849332088 805863415 /nfs/dbraw/zinc/86/34/15/805863415.db2.gz HCEGVWFGAMXTIO-GZMMTYOYSA-N -1 0 315.351 -0.260 20 0 DBADRM O=S(=O)(NCCCn1cc(CO)nn1)c1ccccc1[O-] ZINC000849394298 805867757 /nfs/dbraw/zinc/86/77/57/805867757.db2.gz QZBIBMWBORQOQL-UHFFFAOYSA-N -1 0 312.351 -0.155 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000849401438 805870387 /nfs/dbraw/zinc/87/03/87/805870387.db2.gz XTMFHYQOJZIYFJ-VHSXEESVSA-N -1 0 310.372 -0.975 20 0 DBADRM CCN1CC[C@@H](OC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1=O ZINC000849726243 805878787 /nfs/dbraw/zinc/87/87/87/805878787.db2.gz ITMWFYMSOSVSFQ-SECBINFHSA-N -1 0 305.294 -0.765 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000850452074 805890335 /nfs/dbraw/zinc/89/03/35/805890335.db2.gz LTZBOSSKMXPDMI-UHFFFAOYSA-N -1 0 321.333 -0.005 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ncn2ccc(C)cc12 ZINC000850832628 805903135 /nfs/dbraw/zinc/90/31/35/805903135.db2.gz BGSOHBHHVNXETO-UHFFFAOYSA-N -1 0 311.319 -0.125 20 0 DBADRM C[C@@]1(c2ccc(C(=O)[N-]S(C)(=O)=O)cc2)NC(=O)NC1=O ZINC000850734584 805901893 /nfs/dbraw/zinc/90/18/93/805901893.db2.gz WWNXXJGFLNOSFG-LBPRGKRZSA-N -1 0 311.319 -0.569 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccc(F)nc1)C2 ZINC000850796911 805902084 /nfs/dbraw/zinc/90/20/84/805902084.db2.gz VXQYCRMPYYFJEU-XLKFXECMSA-N -1 0 323.280 -0.281 20 0 DBADRM O=C([N-]S(=O)(=O)c1cccnc1)c1cnc2n1CCOC2 ZINC000850735762 805902383 /nfs/dbraw/zinc/90/23/83/805902383.db2.gz AAQCPQDEXYXDCX-UHFFFAOYSA-N -1 0 308.319 -0.073 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cccnc1)[C@@H]1CCOC1 ZINC000850737597 805902557 /nfs/dbraw/zinc/90/25/57/805902557.db2.gz RBAFQASQZSFVAJ-KOLCDFICSA-N -1 0 300.336 -0.062 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000850835757 805904741 /nfs/dbraw/zinc/90/47/41/805904741.db2.gz YYWISBHTZGVDOC-UHFFFAOYSA-N -1 0 305.360 -0.937 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000850833192 805904784 /nfs/dbraw/zinc/90/47/84/805904784.db2.gz HZXVSHFBCNOVKS-UHFFFAOYSA-N -1 0 305.360 -0.476 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000850861944 805905652 /nfs/dbraw/zinc/90/56/52/805905652.db2.gz GFIYINCEEYTKSY-UHFFFAOYSA-N -1 0 304.376 -0.717 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ccccn1)[C@H]1CCOC1 ZINC000850847588 805905704 /nfs/dbraw/zinc/90/57/04/805905704.db2.gz GAPBHRMWOULXTG-ONGXEEELSA-N -1 0 300.336 -0.062 20 0 DBADRM CSCC[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)c1nnn[n-]1 ZINC001301160791 805905640 /nfs/dbraw/zinc/90/56/40/805905640.db2.gz IHHVWICYRGLLGG-RQJHMYQMSA-N -1 0 312.355 -0.837 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)C1CCN(C(=O)OC)CC1 ZINC000850861767 805905803 /nfs/dbraw/zinc/90/58/03/805905803.db2.gz CRWCPWPVBSZASC-UHFFFAOYSA-N -1 0 307.372 -0.223 20 0 DBADRM CC1(C)OC[C@H]2C[C@]21C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000850862538 805905828 /nfs/dbraw/zinc/90/58/28/805905828.db2.gz QOHBEFWVIFHWLC-BXKDBHETSA-N -1 0 304.368 -0.505 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12 ZINC000850862941 805905890 /nfs/dbraw/zinc/90/58/90/805905890.db2.gz ZOUSHYCASRDYMG-AXFHLTTASA-N -1 0 317.411 -0.006 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](OC)[C@H]1CCOC1 ZINC000850922651 805907779 /nfs/dbraw/zinc/90/77/79/805907779.db2.gz KTGYCBOKVBRHFG-WPRPVWTQSA-N -1 0 309.340 -0.953 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1)[C@@H]1CCOC1 ZINC000850934701 805907946 /nfs/dbraw/zinc/90/79/46/805907946.db2.gz YXPDVWJFNPUENU-VWYCJHECSA-N -1 0 307.368 -0.337 20 0 DBADRM CCCCCc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)[nH]n1 ZINC000850941164 805908138 /nfs/dbraw/zinc/90/81/38/805908138.db2.gz XVNMUHVDLFSCAL-UHFFFAOYSA-N -1 0 302.356 -0.313 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1COC[C@H]1c1ccccc1 ZINC000850940277 805908235 /nfs/dbraw/zinc/90/82/35/805908235.db2.gz KUHDXLMSNDLZPI-WDEREUQCSA-N -1 0 312.347 -0.652 20 0 DBADRM COc1ccc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000850939685 805908282 /nfs/dbraw/zinc/90/82/82/805908282.db2.gz AYUWUKWHCFKATH-WDEREUQCSA-N -1 0 312.347 -0.270 20 0 DBADRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cnnn1C)[C@@H]1CCCO1 ZINC000850972266 805909091 /nfs/dbraw/zinc/90/90/91/805909091.db2.gz QORIUELLYBUILG-BDAKNGLRSA-N -1 0 302.356 -0.175 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000850990036 805910219 /nfs/dbraw/zinc/91/02/19/805910219.db2.gz GMAALLILIWJQRI-SSDOTTSWSA-N -1 0 305.360 -0.477 20 0 DBADRM COC(=O)N1CCC(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)CC1 ZINC000850990002 805910955 /nfs/dbraw/zinc/91/09/55/805910955.db2.gz FXYZWOGHKXFSIZ-SECBINFHSA-N -1 0 322.383 -0.054 20 0 DBADRM CCCn1nccc1C(=O)[N-]S(=O)(=O)CCC(=O)OC ZINC000851021589 805911364 /nfs/dbraw/zinc/91/13/64/805911364.db2.gz KJQMEADSHREYKY-UHFFFAOYSA-N -1 0 303.340 -0.084 20 0 DBADRM COCc1cncc(C(=O)[N-]S(=O)(=O)CCC(=O)OC)c1 ZINC000851022197 805911854 /nfs/dbraw/zinc/91/18/54/805911854.db2.gz SYHMJIHWHRIDAF-UHFFFAOYSA-N -1 0 316.335 -0.149 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@H](OC)[C@H]2CCOC2)CC1 ZINC000851036290 805912105 /nfs/dbraw/zinc/91/21/05/805912105.db2.gz GNAZEGPJRSMIGN-VHSXEESVSA-N -1 0 307.368 -0.337 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001302937572 805912306 /nfs/dbraw/zinc/91/23/06/805912306.db2.gz NPEJKKJCXHISDU-SECBINFHSA-N -1 0 316.387 -0.636 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cccn1C)[C@@H]1CCOC1 ZINC000851082321 805913051 /nfs/dbraw/zinc/91/30/51/805913051.db2.gz FCUFMMLQMHONKH-MWLCHTKSSA-N -1 0 302.352 -0.119 20 0 DBADRM O=C(CN1CCCCC(=O)C1=O)NC1(c2nnn[n-]2)CCC1 ZINC001303221022 805914013 /nfs/dbraw/zinc/91/40/13/805914013.db2.gz FGRJMXGJBIIPPT-UHFFFAOYSA-N -1 0 306.326 -0.723 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CC(F)F ZINC000851359310 805914877 /nfs/dbraw/zinc/91/48/77/805914877.db2.gz HUDCNRGRSVFITO-ZCFIWIBFSA-N -1 0 320.339 -0.879 20 0 DBADRM Cc1cc(C(=O)[N-]S(=O)(=O)CC(F)F)ncc1C(N)=O ZINC000851363665 805915557 /nfs/dbraw/zinc/91/55/57/805915557.db2.gz QXYDRGVMJXFUHA-UHFFFAOYSA-N -1 0 307.278 -0.186 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)CC(F)F)ccc1=O ZINC000851360069 805915592 /nfs/dbraw/zinc/91/55/92/805915592.db2.gz MDGLEPBEOAZENO-UHFFFAOYSA-N -1 0 324.305 -0.181 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)CC(F)F ZINC000851361631 805915741 /nfs/dbraw/zinc/91/57/41/805915741.db2.gz QGJJOGAFVNGRCG-UHFFFAOYSA-N -1 0 322.355 -0.631 20 0 DBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)Cc1cc(OC)ns1 ZINC000851438857 805916630 /nfs/dbraw/zinc/91/66/30/805916630.db2.gz XVJTUEPEMQKANI-QMMMGPOBSA-N -1 0 324.380 -0.241 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCCn1cccn1 ZINC000851499966 805917493 /nfs/dbraw/zinc/91/74/93/805917493.db2.gz BMDOFMCPKPBSRA-UHFFFAOYSA-N -1 0 319.383 -0.229 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1 ZINC000851499991 805918003 /nfs/dbraw/zinc/91/80/03/805918003.db2.gz BXCYSNGDIYSQMZ-UHFFFAOYSA-N -1 0 305.356 -0.930 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)C(COC)COC ZINC000851501485 805918472 /nfs/dbraw/zinc/91/84/72/805918472.db2.gz XDVQRTPXBXKDDQ-UHFFFAOYSA-N -1 0 324.399 -0.600 20 0 DBADRM CCn1nccc1C(=O)[N-]S(=O)(=O)C(COC)COC ZINC000851501638 805918558 /nfs/dbraw/zinc/91/85/58/805918558.db2.gz CZTWHELNDOGKOZ-UHFFFAOYSA-N -1 0 305.356 -0.376 20 0 DBADRM CCn1ccc(C(=O)[N-]S(=O)(=O)C(COC)COC)n1 ZINC000851503247 805918607 /nfs/dbraw/zinc/91/86/07/805918607.db2.gz BIDCPAWZGJJGDA-UHFFFAOYSA-N -1 0 305.356 -0.376 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cc1ccnn1C ZINC000851502106 805918622 /nfs/dbraw/zinc/91/86/22/805918622.db2.gz MLYAOZZYUZBHJB-UHFFFAOYSA-N -1 0 305.356 -0.930 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)OC ZINC000851501433 805918630 /nfs/dbraw/zinc/91/86/30/805918630.db2.gz UZTXPZDTSWDSSQ-QMMMGPOBSA-N -1 0 311.356 -0.707 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCc1ccn(C)n1 ZINC000851502108 805918661 /nfs/dbraw/zinc/91/86/61/805918661.db2.gz AKAIMBFJHBZDOC-UHFFFAOYSA-N -1 0 319.383 -0.540 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cc1ccn(C)n1 ZINC000851502265 805918703 /nfs/dbraw/zinc/91/87/03/805918703.db2.gz KAWHXXQBVRVLAN-UHFFFAOYSA-N -1 0 305.356 -0.930 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C(F)F ZINC000851501582 805918891 /nfs/dbraw/zinc/91/88/91/805918891.db2.gz BCQRWNRANMPURI-YUMQZZPRSA-N -1 0 301.311 -0.005 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C[C@H]1CCCOC1 ZINC000851501634 805918915 /nfs/dbraw/zinc/91/89/15/805918915.db2.gz CRMXHVOUZQMPEB-SNVBAGLBSA-N -1 0 309.384 -0.090 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)C(COC)COC)CC1 ZINC000851502224 805918960 /nfs/dbraw/zinc/91/89/60/805918960.db2.gz IODKRAZCQBIVJT-UHFFFAOYSA-N -1 0 323.367 -0.563 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H](OC)C1CCC1 ZINC000851504104 805919200 /nfs/dbraw/zinc/91/92/00/805919200.db2.gz PGDOXVPOJTTXGG-NSHDSACASA-N -1 0 309.384 -0.091 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CCO[C@@H](C)C1 ZINC000851503406 805919214 /nfs/dbraw/zinc/91/92/14/805919214.db2.gz YLYCEAMBOJBXPX-UWVGGRQHSA-N -1 0 309.384 -0.091 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1C[C@@]12CCOC2 ZINC000851503370 805919396 /nfs/dbraw/zinc/91/93/96/805919396.db2.gz WVJSWFXELTWEGT-ZYHUDNBSSA-N -1 0 307.368 -0.480 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C[C@H](C)n1ccnc1 ZINC000851503946 805919875 /nfs/dbraw/zinc/91/98/75/805919875.db2.gz PBEYWOGFYVBMSZ-JTQLQIEISA-N -1 0 319.383 -0.058 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CC1(COC)CC1 ZINC000851503669 805919899 /nfs/dbraw/zinc/91/98/99/805919899.db2.gz JNYSDPHNRYXUKP-UHFFFAOYSA-N -1 0 309.384 -0.090 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CC1(n2cnnn2)CCOCC1 ZINC000851606438 805920417 /nfs/dbraw/zinc/92/04/17/805920417.db2.gz PANCITMIIVRPHP-QWRGUYRKSA-N -1 0 323.353 -0.110 20 0 DBADRM CO[C@@H](C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)[C@@H]1CCOC1 ZINC000851603155 805920496 /nfs/dbraw/zinc/92/04/96/805920496.db2.gz JVQQXOZZCTVUIB-NWJSVONSSA-N -1 0 313.350 -0.012 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)c3ccn4nnnc4c3)C[C@H]1COCC2 ZINC000851602819 805920652 /nfs/dbraw/zinc/92/06/52/805920652.db2.gz AWHGSPJOQMONIV-IINYFYTJSA-N -1 0 317.305 -0.312 20 0 DBADRM COc1cc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)nn1C ZINC000851603879 805920939 /nfs/dbraw/zinc/92/09/39/805920939.db2.gz WMSHNBDHFCZLJR-LKFCYVNXSA-N -1 0 309.322 -0.008 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](OC)[C@H]2CCOC2)C1 ZINC000851607729 805921018 /nfs/dbraw/zinc/92/10/18/805921018.db2.gz RRTXFFZDFOIAQQ-MJVIPROJSA-N -1 0 301.339 -0.012 20 0 DBADRM CO[N-]C(=O)CNC(=O)C[C@H](CNC(=O)OC(C)(C)C)OC ZINC001304258799 805921106 /nfs/dbraw/zinc/92/11/06/805921106.db2.gz OOCMRENBIVDIHK-SECBINFHSA-N -1 0 319.358 -0.290 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001304258825 805921263 /nfs/dbraw/zinc/92/12/63/805921263.db2.gz ZUJOWXZMWCZKTE-UHFFFAOYSA-N -1 0 321.742 -0.605 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)NCC1(C(=O)[O-])CCC1 ZINC000851649121 805921909 /nfs/dbraw/zinc/92/19/09/805921909.db2.gz JBHNROTYFPMCBL-UHFFFAOYSA-N -1 0 322.383 -0.398 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000851649238 805922036 /nfs/dbraw/zinc/92/20/36/805922036.db2.gz LYQJHPLVNRKJST-QMTHXVAHSA-N -1 0 313.354 -0.403 20 0 DBADRM Cn1cc(/C=C\C(=O)N2CC3CC2(C(=O)[O-])C3)c(=O)n(C)c1=O ZINC000851615546 805922095 /nfs/dbraw/zinc/92/20/95/805922095.db2.gz LTXRRBRKSTXULH-ARJAWSKDSA-N -1 0 319.317 -0.827 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])c1 ZINC000851615139 805922135 /nfs/dbraw/zinc/92/21/35/805922135.db2.gz BHRVLLANSXBKSK-FIFDWTMUSA-N -1 0 319.317 -0.187 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NC[C@H]1CCC=CO1)C2 ZINC000851681787 805924375 /nfs/dbraw/zinc/92/43/75/805924375.db2.gz ODGVVQVISUKLIN-UEKVPHQBSA-N -1 0 324.333 -0.645 20 0 DBADRM COC(CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])OC ZINC001305828981 805924353 /nfs/dbraw/zinc/92/43/53/805924353.db2.gz AANFVKHEVNMIRC-UHFFFAOYSA-N -1 0 304.324 -0.612 20 0 DBADRM Cn1nccc1CCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000851679313 805924791 /nfs/dbraw/zinc/92/47/91/805924791.db2.gz BKAOSXGQBRYKPL-UHFFFAOYSA-N -1 0 308.338 -0.550 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NC[C@]12OCCC[C@H]1C2(F)F)C(=O)[O-] ZINC000851684192 805925171 /nfs/dbraw/zinc/92/51/71/805925171.db2.gz YSJWDTPRBBAHOK-SXMVTHIZSA-N -1 0 320.292 -0.246 20 0 DBADRM COC(=O)N(C)CCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000851683634 805925754 /nfs/dbraw/zinc/92/57/54/805925754.db2.gz KZVWIRBURLSGJM-UHFFFAOYSA-N -1 0 315.326 -0.876 20 0 DBADRM CC1(CCNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)OCCO1 ZINC000851652721 805922972 /nfs/dbraw/zinc/92/29/72/805922972.db2.gz XQUKNVKNWYEQBI-QMTHXVAHSA-N -1 0 314.338 -0.118 20 0 DBADRM O=c1n(Cc2nnn[n-]2)nnn1-c1ccc(Br)cc1 ZINC001307399489 805929688 /nfs/dbraw/zinc/92/96/88/805929688.db2.gz KRPMJCBPDVCFET-UHFFFAOYSA-N -1 0 323.114 -0.247 20 0 DBADRM COC(=O)N1CCC(C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000851694958 805929716 /nfs/dbraw/zinc/92/97/16/805929716.db2.gz VBKRUYFMAQYFEA-JTQLQIEISA-N -1 0 300.311 -0.223 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)[C@@H]1CCCOC1 ZINC000885750224 807104018 /nfs/dbraw/zinc/10/40/18/807104018.db2.gz LYIWHXCKTNGRBQ-NXEZZACHSA-N -1 0 314.429 -0.010 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CCOCC1CCC1)[C@@H](C)O ZINC001309845567 805941096 /nfs/dbraw/zinc/94/10/96/805941096.db2.gz GIFJZLSQONXBDU-KOLCDFICSA-N -1 0 309.384 -0.355 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC001309914792 805942417 /nfs/dbraw/zinc/94/24/17/805942417.db2.gz AOEZMDZYIXBKGJ-UHFFFAOYSA-N -1 0 311.319 -0.516 20 0 DBADRM CCc1n[nH]c(=O)c(CNC(=O)NCC(=O)[N-]OC)c1CC ZINC001312304678 805952242 /nfs/dbraw/zinc/95/22/42/805952242.db2.gz RGMWLUXNLKRYJW-UHFFFAOYSA-N -1 0 311.342 -0.216 20 0 DBADRM CCOC(=O)[C@]1(F)CN(CC(=O)NCC(=O)[O-])CC12CCC2 ZINC000852733906 805971970 /nfs/dbraw/zinc/97/19/70/805971970.db2.gz ATEDKJODAODGQM-CQSZACIVSA-N -1 0 316.329 -0.056 20 0 DBADRM CNC(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852737442 805972742 /nfs/dbraw/zinc/97/27/42/805972742.db2.gz SRNDXAMXRYDCBJ-POYBYMJQSA-N -1 0 311.260 -0.672 20 0 DBADRM COCCN(CCF)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000852915765 805990825 /nfs/dbraw/zinc/99/08/25/805990825.db2.gz LLFSWIWNQPIPCZ-SNVBAGLBSA-N -1 0 304.318 -0.246 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000852915500 805991719 /nfs/dbraw/zinc/99/17/19/805991719.db2.gz WNLIGVPJJCGLIT-IINYFYTJSA-N -1 0 314.338 -0.817 20 0 DBADRM CN(CCCNC(=O)c1cnn(C)c1N)Cc1n[nH]c(=O)[n-]1 ZINC001316818590 805992320 /nfs/dbraw/zinc/99/23/20/805992320.db2.gz XGVVTFZGUNLOOY-UHFFFAOYSA-N -1 0 308.346 -0.922 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC000852946556 805993914 /nfs/dbraw/zinc/99/39/14/805993914.db2.gz WZGNMDMFECCVDQ-SNVBAGLBSA-N -1 0 316.379 -0.052 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000852946449 805993985 /nfs/dbraw/zinc/99/39/85/805993985.db2.gz TVDDORGCWVPQAJ-LDYMZIIASA-N -1 0 308.356 -0.984 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000852946447 805994060 /nfs/dbraw/zinc/99/40/60/805994060.db2.gz TVDDORGCWVPQAJ-KCJUWKMLSA-N -1 0 308.356 -0.984 20 0 DBADRM Cc1nc(C(=O)NC[C@H](CC(=O)[O-])C2CC2)nn1-c1nc[nH]n1 ZINC000852959614 805995161 /nfs/dbraw/zinc/99/51/61/805995161.db2.gz QQLJUOISRDTLKJ-VIFPVBQESA-N -1 0 319.325 -0.075 20 0 DBADRM NC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000852953899 805995193 /nfs/dbraw/zinc/99/51/93/805995193.db2.gz JMDQDMSIKCDVTI-IAQYHMDHSA-N -1 0 304.302 -0.041 20 0 DBADRM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCOCC1 ZINC000852960319 805995419 /nfs/dbraw/zinc/99/54/19/805995419.db2.gz DBZVXJPDNVBKEU-VIFPVBQESA-N -1 0 322.321 -0.487 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CC[C@H]1CCOC1)OC ZINC000853204435 806001138 /nfs/dbraw/zinc/00/11/38/806001138.db2.gz XSTNUVCEZAAVBA-QWRGUYRKSA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C/c1ccc(C(N)=O)o1 ZINC000853106499 805997621 /nfs/dbraw/zinc/99/76/21/805997621.db2.gz ANCXHZSRDDBBON-YZCDNWJKSA-N -1 0 316.335 -0.127 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cn1 ZINC000853069833 805997704 /nfs/dbraw/zinc/99/77/04/805997704.db2.gz SQXOMINDFYIHRC-SNVBAGLBSA-N -1 0 315.351 -0.019 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)COc1cc(C)on1)OC ZINC000853203198 806001351 /nfs/dbraw/zinc/00/13/51/806001351.db2.gz WBUSHLKZCJCRFK-SECBINFHSA-N -1 0 322.339 -0.531 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1nccs1 ZINC001316832636 806000323 /nfs/dbraw/zinc/00/03/23/806000323.db2.gz BVGPEXPWJDVJGV-UHFFFAOYSA-N -1 0 324.366 -0.009 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)OCC1CC1)OC ZINC000853204670 806001468 /nfs/dbraw/zinc/00/14/68/806001468.db2.gz RTRDHBBAYDQCRB-MWLCHTKSSA-N -1 0 309.384 -0.091 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)nn1 ZINC000853207323 806001887 /nfs/dbraw/zinc/00/18/87/806001887.db2.gz YQNUFCJKNOGIFP-SECBINFHSA-N -1 0 320.371 -0.591 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cc(OC)n(C)n1)OC ZINC000853205952 806001908 /nfs/dbraw/zinc/00/19/08/806001908.db2.gz LRCBJVLJQIGLFM-QMMMGPOBSA-N -1 0 321.355 -0.850 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)OC)OC ZINC000853206635 806001981 /nfs/dbraw/zinc/00/19/81/806001981.db2.gz QTHAPQVIFKQIES-DTWKUNHWSA-N -1 0 311.356 -0.707 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@]1(C)CCCOC1)OC ZINC000853205751 806002211 /nfs/dbraw/zinc/00/22/11/806002211.db2.gz JTFJMKJCRDHFRE-CMPLNLGQSA-N -1 0 309.384 -0.090 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC ZINC000853210183 806002899 /nfs/dbraw/zinc/00/28/99/806002899.db2.gz SXUAVIVNHRDWKY-MRVPVSSYSA-N -1 0 306.344 -0.981 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)OC ZINC000853209255 806003206 /nfs/dbraw/zinc/00/32/06/806003206.db2.gz IHLLKFSHBHNUPR-ZDCRXTMVSA-N -1 0 319.379 -0.291 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cnn(CCF)c1)OC ZINC000853209785 806003279 /nfs/dbraw/zinc/00/32/79/806003279.db2.gz NSZRJJXIDRODPU-JTQLQIEISA-N -1 0 323.346 -0.426 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)/C=C/[C@@H]1CCOC1)OC ZINC000853209584 806003491 /nfs/dbraw/zinc/00/34/91/806003491.db2.gz MJVCKDPBMTUKDS-YIZUVKHSSA-N -1 0 307.368 -0.314 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)/C=C/[C@@H]1CCCO1)OC ZINC000853210240 806003671 /nfs/dbraw/zinc/00/36/71/806003671.db2.gz YZUJSOWFEDCJDO-PFDYWKIBSA-N -1 0 307.368 -0.171 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000854215915 806029773 /nfs/dbraw/zinc/02/97/73/806029773.db2.gz RJYYRTRSJHTFAH-ZJUUUORDSA-N -1 0 301.343 -0.105 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCC1N=NC(=S)N1C ZINC000854217339 806030846 /nfs/dbraw/zinc/03/08/46/806030846.db2.gz KSOXVSZQLNQRKC-UHFFFAOYSA-N -1 0 302.360 -0.987 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C(=O)O1 ZINC000854471253 806039096 /nfs/dbraw/zinc/03/90/96/806039096.db2.gz UYFZHLLWZJVETB-IMTBSYHQSA-N -1 0 314.319 -0.527 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2COC(=O)C2)c1 ZINC000854553416 806043281 /nfs/dbraw/zinc/04/32/81/806043281.db2.gz QLORWSCYNNZXRL-LURJTMIESA-N -1 0 300.292 -0.915 20 0 DBADRM C[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854611321 806045669 /nfs/dbraw/zinc/04/56/69/806045669.db2.gz UEUYAVHREQUOGL-LURJTMIESA-N -1 0 301.303 -0.080 20 0 DBADRM CC(C)(O)[C@H](Oc1ccccc1)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854609484 806045811 /nfs/dbraw/zinc/04/58/11/806045811.db2.gz RKQIOVDKJGVUAS-SECBINFHSA-N -1 0 308.294 -0.022 20 0 DBADRM C[C@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000854610412 806046064 /nfs/dbraw/zinc/04/60/64/806046064.db2.gz HIWNGBPAGNZOJN-CSMHCCOUSA-N -1 0 323.309 -0.677 20 0 DBADRM CCOC(=O)C1(C(=O)Nn2c(=O)[n-][nH]c2=O)CCOCC1 ZINC000854611399 806046098 /nfs/dbraw/zinc/04/60/98/806046098.db2.gz VRPZWQSGPGPHBW-UHFFFAOYSA-N -1 0 300.271 -0.881 20 0 DBADRM COCCOC1CCC(C(=O)Nn2c(=O)[n-][nH]c2=O)CC1 ZINC000854611252 806046210 /nfs/dbraw/zinc/04/62/10/806046210.db2.gz RVYVBQGXLIGOLN-UHFFFAOYSA-N -1 0 300.315 -0.019 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C2CCCCC2)C1 ZINC000854611629 806046755 /nfs/dbraw/zinc/04/67/55/806046755.db2.gz CBVCWGSZDXOVJJ-UHFFFAOYSA-N -1 0 309.326 -0.202 20 0 DBADRM CON1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000854864455 806064337 /nfs/dbraw/zinc/06/43/37/806064337.db2.gz JXFVNEHOIZMBSK-UHFFFAOYSA-N -1 0 315.351 -0.641 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000855024911 806069877 /nfs/dbraw/zinc/06/98/77/806069877.db2.gz TVGWIHVSQVZHBC-HNNXBMFYSA-N -1 0 305.334 -0.372 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCO[C@H]1CC1(F)F ZINC000855609543 806083898 /nfs/dbraw/zinc/08/38/98/806083898.db2.gz CCNNEKVYLGERKG-QMMMGPOBSA-N -1 0 313.264 -0.388 20 0 DBADRM CC1=C(C(=O)[N-]OCCN2CCCC2=O)S(=O)(=O)CCO1 ZINC000856041421 806094534 /nfs/dbraw/zinc/09/45/34/806094534.db2.gz QGRICUKTNWCYRL-UHFFFAOYSA-N -1 0 318.351 -0.667 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]OCCN1CCCC1=O ZINC000856045468 806094619 /nfs/dbraw/zinc/09/46/19/806094619.db2.gz YHZGXHQTKNMION-UHFFFAOYSA-N -1 0 323.353 -0.949 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]OCCN1CCCC1=O ZINC000856040329 806095059 /nfs/dbraw/zinc/09/50/59/806095059.db2.gz YWXICGHWUISOAG-UHFFFAOYSA-N -1 0 321.399 -0.672 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CCC[C@@]1(C)C(=O)[O-])c2=O ZINC000856961696 806105882 /nfs/dbraw/zinc/10/58/82/806105882.db2.gz PMZSAGQWFYQSHS-AWEZNQCLSA-N -1 0 319.321 -0.404 20 0 DBADRM CON(C)C(=O)[C@H](CCSC)NC(=O)N1CC(C(=O)[O-])C1 ZINC000857097138 806108211 /nfs/dbraw/zinc/10/82/11/806108211.db2.gz LWWNGGLCZPCEAR-VIFPVBQESA-N -1 0 319.383 -0.146 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000857287043 806115001 /nfs/dbraw/zinc/11/50/01/806115001.db2.gz KTSGJZMTCUYWMH-MNOVXSKESA-N -1 0 308.400 -0.830 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000857286850 806115310 /nfs/dbraw/zinc/11/53/10/806115310.db2.gz IEKVRLUTIJMLPK-JTQLQIEISA-N -1 0 309.326 -0.805 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)c1c(Br)nnn1C ZINC000857291530 806115558 /nfs/dbraw/zinc/11/55/58/806115558.db2.gz FXYOADMIEYLATD-UHFFFAOYSA-N -1 0 317.103 -0.062 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000857287042 806115830 /nfs/dbraw/zinc/11/58/30/806115830.db2.gz KTSGJZMTCUYWMH-GHMZBOCLSA-N -1 0 308.400 -0.830 20 0 DBADRM C=CC(=O)N(C)CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000858698094 806155701 /nfs/dbraw/zinc/15/57/01/806155701.db2.gz UZPIMOYTXGQHGO-UHFFFAOYSA-N -1 0 319.368 -0.508 20 0 DBADRM CN(CCNC(=O)c1cnn2cc[nH]c12)Cc1n[nH]c(=O)[n-]1 ZINC001317470467 806159219 /nfs/dbraw/zinc/15/92/19/806159219.db2.gz YSGONFMILZFGMG-UHFFFAOYSA-N -1 0 304.314 -0.652 20 0 DBADRM CC[S@](=O)CC[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000858967989 806165259 /nfs/dbraw/zinc/16/52/59/806165259.db2.gz HSIVSSVLRQUYAM-SFHVURJKSA-N -1 0 310.353 -0.492 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCC[S@](C)=O)on1 ZINC000858993998 806169125 /nfs/dbraw/zinc/16/91/25/806169125.db2.gz XBDLGQCTSFVQJM-SFHVURJKSA-N -1 0 310.353 -0.492 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C2CN(C(=O)OC)C2)on1 ZINC000859072528 806172992 /nfs/dbraw/zinc/17/29/92/806172992.db2.gz MKORZGMGETWRLG-UHFFFAOYSA-N -1 0 319.295 -0.810 20 0 DBADRM CN1CC[C@@H](OC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1=O ZINC000859923221 806210634 /nfs/dbraw/zinc/21/06/34/806210634.db2.gz WHNFTGNERUIMQI-SECBINFHSA-N -1 0 313.335 -0.159 20 0 DBADRM Cn1nncc1COC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859924245 806211298 /nfs/dbraw/zinc/21/12/98/806211298.db2.gz PABUIOOSSPDVIT-UHFFFAOYSA-N -1 0 311.323 -0.061 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCCC2)O1 ZINC000860495836 806232534 /nfs/dbraw/zinc/23/25/34/806232534.db2.gz PICLHEFBAFMJRP-BDAKNGLRSA-N -1 0 306.340 -0.836 20 0 DBADRM CCC(CC)CS(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC000860542356 806235653 /nfs/dbraw/zinc/23/56/53/806235653.db2.gz MORFYPUEPQXVQZ-UHFFFAOYSA-N -1 0 319.383 -0.237 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@]1(C2CCCC2)CCNC1=O ZINC000860539303 806234994 /nfs/dbraw/zinc/23/49/94/806234994.db2.gz WPFYHFDYISEIIL-ZDUSSCGKSA-N -1 0 318.395 -0.225 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC(F)(F)F)O1 ZINC000860569091 806236753 /nfs/dbraw/zinc/23/67/53/806236753.db2.gz IUKRQDVUBBXHQD-RITPCOANSA-N -1 0 319.257 -0.285 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ocnc1C(F)F ZINC000860569724 806237010 /nfs/dbraw/zinc/23/70/10/806237010.db2.gz QJRVERHPXYBHHP-UHFFFAOYSA-N -1 0 311.266 -0.081 20 0 DBADRM O=C([N-]S(=O)(=O)CCCF)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860581769 806237699 /nfs/dbraw/zinc/23/76/99/806237699.db2.gz HOLGTMSAMBYWBS-KZFFXBSXSA-N -1 0 321.326 -0.487 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)c1 ZINC000860624508 806238981 /nfs/dbraw/zinc/23/89/81/806238981.db2.gz AZTOCBFNISHOBI-ZETCQYMHSA-N -1 0 302.312 -0.623 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C(C)C ZINC000860612537 806239391 /nfs/dbraw/zinc/23/93/91/806239391.db2.gz ANUVZUCNBRYLKU-LLVKDONJSA-N -1 0 324.399 -0.744 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccnc2ccnn21 ZINC000860631191 806239426 /nfs/dbraw/zinc/23/94/26/806239426.db2.gz BVFIWFZLNYFGGA-SECBINFHSA-N -1 0 310.335 -0.175 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1cn(C2CC2)nn1 ZINC000860631761 806239470 /nfs/dbraw/zinc/23/94/70/806239470.db2.gz JWCJQCKHUZTMPY-QMMMGPOBSA-N -1 0 300.340 -0.291 20 0 DBADRM Cn1cc(COC(=O)c2ccc([N-]S(C)(=O)=O)nc2)nn1 ZINC000860629342 806239547 /nfs/dbraw/zinc/23/95/47/806239547.db2.gz DFIBLLFOAPXUCX-UHFFFAOYSA-N -1 0 311.323 -0.061 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1cn2c(n1)COCC2 ZINC000860642911 806240058 /nfs/dbraw/zinc/24/00/58/806240058.db2.gz PWRMOACNIGMMRQ-VIFPVBQESA-N -1 0 315.351 -0.348 20 0 DBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(C(=O)OC)cn1 ZINC000860648882 806240248 /nfs/dbraw/zinc/24/02/48/806240248.db2.gz BGJAOZBEEXWFGG-MRVPVSSYSA-N -1 0 303.340 -0.086 20 0 DBADRM CC1(C)[C@@]2(C)CC[C@]1(C(=O)[N-]S(=O)(=O)CC(N)=O)OC2=O ZINC000860647927 806240623 /nfs/dbraw/zinc/24/06/23/806240623.db2.gz CQCJGAWWMJUVCI-NWDGAFQWSA-N -1 0 318.351 -0.960 20 0 DBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860649931 806240729 /nfs/dbraw/zinc/24/07/29/806240729.db2.gz RNOWNWXZZQQIGE-XGJGVMOOSA-N -1 0 317.363 -0.049 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1cncc1C ZINC000860666750 806241532 /nfs/dbraw/zinc/24/15/32/806241532.db2.gz UHHCDBPALOVUAR-NXEZZACHSA-N -1 0 317.367 -0.165 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)COCC(F)F ZINC000860664603 806241539 /nfs/dbraw/zinc/24/15/39/806241539.db2.gz CBOJTXTWQBDLAU-NKWVEPMBSA-N -1 0 317.310 -0.088 20 0 DBADRM Cc1ccnn1CC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000860685754 806242462 /nfs/dbraw/zinc/24/24/62/806242462.db2.gz ZNRCKJYIJKCEQU-UHFFFAOYSA-N -1 0 309.351 -0.161 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000860685730 806242913 /nfs/dbraw/zinc/24/29/13/806242913.db2.gz YHVJLZRZDMGTSM-NSHDSACASA-N -1 0 314.367 -0.595 20 0 DBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)C[C@@H](C)OC)c1 ZINC000860705679 806243053 /nfs/dbraw/zinc/24/30/53/806243053.db2.gz KCZQKKWCHYCBRE-MRVPVSSYSA-N -1 0 319.339 -0.849 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H]2CCC(=O)NC2)cn1 ZINC000860762964 806244954 /nfs/dbraw/zinc/24/49/54/806244954.db2.gz BUCZWIYKELGQDT-SECBINFHSA-N -1 0 313.335 -0.112 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H]1COC(=O)N1 ZINC000860755621 806245045 /nfs/dbraw/zinc/24/50/45/806245045.db2.gz ZHDINSORYFMOKC-JGVFFNPUSA-N -1 0 322.339 -0.727 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)c(C)c1 ZINC000860748156 806245469 /nfs/dbraw/zinc/24/54/69/806245469.db2.gz USHHPHZCSYUTRU-VIFPVBQESA-N -1 0 314.319 -0.083 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C ZINC000860778810 806246082 /nfs/dbraw/zinc/24/60/82/806246082.db2.gz MSKUUPXLADCSLA-VIFPVBQESA-N -1 0 322.383 -0.598 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cn(C2CC2)nn1 ZINC000860768725 806246530 /nfs/dbraw/zinc/24/65/30/806246530.db2.gz XZMRANLHXWQXMH-UHFFFAOYSA-N -1 0 310.339 -0.226 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C)cnn1C ZINC000860784075 806246673 /nfs/dbraw/zinc/24/66/73/806246673.db2.gz UUYCKNKZWVJFIC-JTQLQIEISA-N -1 0 302.356 -0.696 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C ZINC000860766057 806246732 /nfs/dbraw/zinc/24/67/32/806246732.db2.gz HLGKUTSFHHEBEX-JTQLQIEISA-N -1 0 302.356 -0.696 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cn(C3CC3)nn2)CC1 ZINC000860777550 806246766 /nfs/dbraw/zinc/24/67/66/806246766.db2.gz YPPBYAWLUMQQJN-UHFFFAOYSA-N -1 0 300.340 -0.148 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)C(C)C ZINC000860865428 806249914 /nfs/dbraw/zinc/24/99/14/806249914.db2.gz QAYVAFNKJCBZRX-VIFPVBQESA-N -1 0 319.339 -0.361 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1COC(=O)N1 ZINC000860884452 806251279 /nfs/dbraw/zinc/25/12/79/806251279.db2.gz NMVRNEODFGDJHO-ZETCQYMHSA-N -1 0 318.282 -0.252 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)COCC(F)F)OC ZINC000860892886 806251381 /nfs/dbraw/zinc/25/13/81/806251381.db2.gz YXKAONDOQMKKDT-ZETCQYMHSA-N -1 0 305.299 -0.625 20 0 DBADRM CN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001318025219 806252973 /nfs/dbraw/zinc/25/29/73/806252973.db2.gz DXDXIRHOMKUQKX-NTSWFWBYSA-N -1 0 317.289 -0.634 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861162249 806260067 /nfs/dbraw/zinc/26/00/67/806260067.db2.gz LQLBEMAZQZLCLR-UHFFFAOYSA-N -1 0 314.310 -0.665 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1)C(=O)C1CC1 ZINC000861138873 806257577 /nfs/dbraw/zinc/25/75/77/806257577.db2.gz AXVLLGZPIMCHHN-JTQLQIEISA-N -1 0 318.395 -0.132 20 0 DBADRM Cn1cc(CCC(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)nn1 ZINC000861141251 806257607 /nfs/dbraw/zinc/25/76/07/806257607.db2.gz SVDQGUSURRFISD-SNVBAGLBSA-N -1 0 316.383 -0.239 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861158990 806259547 /nfs/dbraw/zinc/25/95/47/806259547.db2.gz DPGPUPBASYUUPN-UHFFFAOYSA-N -1 0 317.335 -0.193 20 0 DBADRM O=C(CCn1cnccc1=O)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861160723 806259986 /nfs/dbraw/zinc/25/99/86/806259986.db2.gz QSODIFRDDYQAQK-UHFFFAOYSA-N -1 0 321.305 -0.123 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)[N-]OC[C@H]1CCOC1 ZINC000861248739 806262964 /nfs/dbraw/zinc/26/29/64/806262964.db2.gz SFCBMYNHKJBONM-VHSXEESVSA-N -1 0 304.343 -0.044 20 0 DBADRM COC(=O)C1=CC[C@@H](NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000861720727 806282899 /nfs/dbraw/zinc/28/28/99/806282899.db2.gz FUPSHUFBLDLMMO-BMIGLBTASA-N -1 0 324.333 -0.312 20 0 DBADRM CCOC(=O)C1=CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000861721224 806284125 /nfs/dbraw/zinc/28/41/25/806284125.db2.gz QVPIDEHJCJNYEN-MNOVXSKESA-N -1 0 324.333 -0.312 20 0 DBADRM CN1CCC[C@H](NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1=O ZINC000861722309 806284155 /nfs/dbraw/zinc/28/41/55/806284155.db2.gz ZVNQWNLBWOYCTC-LKFCYVNXSA-N -1 0 311.338 -0.953 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC000861722288 806284257 /nfs/dbraw/zinc/28/42/57/806284257.db2.gz YUAKRPANJFWLRB-KOLCDFICSA-N -1 0 323.353 -0.517 20 0 DBADRM CN1CCC[C@H](NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC000861722311 806284356 /nfs/dbraw/zinc/28/43/56/806284356.db2.gz ZVNQWNLBWOYCTC-XPTSAGLGSA-N -1 0 311.338 -0.953 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000861721123 806284407 /nfs/dbraw/zinc/28/44/07/806284407.db2.gz PUGUXAUNYAEJFW-ONGXEEELSA-N -1 0 323.353 -0.517 20 0 DBADRM C[C@]1(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCOC1=O ZINC000861775190 806292040 /nfs/dbraw/zinc/29/20/40/806292040.db2.gz FDAAUHRTIVPZOQ-LBPRGKRZSA-N -1 0 313.335 -0.112 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2COCO2)cn1 ZINC000861983144 806307169 /nfs/dbraw/zinc/30/71/69/806307169.db2.gz OHSZFNWKXHZVRI-SECBINFHSA-N -1 0 301.324 -0.444 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2COCO2)c1 ZINC000861980026 806307479 /nfs/dbraw/zinc/30/74/79/806307479.db2.gz AESPGQNRMUMXEB-ZETCQYMHSA-N -1 0 302.308 -0.858 20 0 DBADRM CON(C)C(=O)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000862018621 806310201 /nfs/dbraw/zinc/31/02/01/806310201.db2.gz BMHWGKYLQXCJGO-UHFFFAOYSA-N -1 0 316.339 -0.797 20 0 DBADRM O=C([N-]Cc1ccc(C(=O)N2C[C@H](O)[C@@H](O)C2)o1)C(F)(F)F ZINC000862582043 806320733 /nfs/dbraw/zinc/32/07/33/806320733.db2.gz CPCOFWJRNKDOHR-YUMQZZPRSA-N -1 0 322.239 -0.364 20 0 DBADRM CCON(CC)C(=O)CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000862621100 806323122 /nfs/dbraw/zinc/32/31/22/806323122.db2.gz BBVIZYADEHWIEJ-UHFFFAOYSA-N -1 0 303.344 -0.481 20 0 DBADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)[N-]N1CCOC1=O ZINC000862698065 806329958 /nfs/dbraw/zinc/32/99/58/806329958.db2.gz CWETTWFSNMCVGV-UHFFFAOYSA-N -1 0 303.296 -0.359 20 0 DBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)[N-]N1CCOC1=O ZINC000862701037 806331196 /nfs/dbraw/zinc/33/11/96/806331196.db2.gz ITKGMWWHYMBFLJ-UHFFFAOYSA-N -1 0 317.323 -0.065 20 0 DBADRM COC(=O)COCCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000862950797 806341918 /nfs/dbraw/zinc/34/19/18/806341918.db2.gz INSMXFCWOZDYCG-UHFFFAOYSA-N -1 0 314.260 -0.251 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000862968916 806342331 /nfs/dbraw/zinc/34/23/31/806342331.db2.gz GSMWMIIVCBKULH-MRVPVSSYSA-N -1 0 311.304 -0.110 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-] ZINC000863416454 806355997 /nfs/dbraw/zinc/35/59/97/806355997.db2.gz HDHJKJNEOBBGNZ-IUCAKERBSA-N -1 0 311.356 -0.407 20 0 DBADRM CCOC1(CS(=O)(=O)NC[C@@H](F)C(=O)[O-])CCOCC1 ZINC000863409885 806356128 /nfs/dbraw/zinc/35/61/28/806356128.db2.gz NMODVEFJUFEFLE-SECBINFHSA-N -1 0 313.347 -0.086 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)[C@@](C)(C(=O)[O-])C1 ZINC000863412101 806356176 /nfs/dbraw/zinc/35/61/76/806356176.db2.gz HFICTRCEIIWNRD-JFGNBEQYSA-N -1 0 307.368 -0.083 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])cn1 ZINC000863409313 806356397 /nfs/dbraw/zinc/35/63/97/806356397.db2.gz YJTJAXGFVLAAHM-VIFPVBQESA-N -1 0 302.308 -0.199 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)CC2CCOCC2)C1 ZINC000863429274 806356865 /nfs/dbraw/zinc/35/68/65/806356865.db2.gz BIORKEUJJSIOBD-GFCCVEGCSA-N -1 0 307.368 -0.082 20 0 DBADRM CCCOCC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001319296916 806362786 /nfs/dbraw/zinc/36/27/86/806362786.db2.gz HTMHHUDKINOLKG-JTQLQIEISA-N -1 0 313.358 -0.746 20 0 DBADRM Cc1c(S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-])cnn1C ZINC000863417882 806357482 /nfs/dbraw/zinc/35/74/82/806357482.db2.gz YQLJYEPXYGMDOO-VIFPVBQESA-N -1 0 305.356 -0.115 20 0 DBADRM Cn1c(N[C@H]2CC=C(C(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000863478508 806358588 /nfs/dbraw/zinc/35/85/88/806358588.db2.gz KZVGSKXTDUDUCH-ZETCQYMHSA-N -1 0 305.294 -0.042 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)C[C@@H]1C(=O)[O-] ZINC000863745965 806369959 /nfs/dbraw/zinc/36/99/59/806369959.db2.gz DOEQOSIQZBSKGI-CHWFTXMASA-N -1 0 324.333 -0.813 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC(F)(F)CC2)CCO1 ZINC000863749702 806370805 /nfs/dbraw/zinc/37/08/05/806370805.db2.gz ZTLIEVICTMKNTJ-MRVPVSSYSA-N -1 0 306.265 -0.444 20 0 DBADRM Cc1nc2ncnn2c(C)c1CCC(=O)NCc1nc(=O)o[n-]1 ZINC001319544353 806390305 /nfs/dbraw/zinc/39/03/05/806390305.db2.gz AOLGRHDUTWQKET-UHFFFAOYSA-N -1 0 317.309 -0.334 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H]2CSCN2C(C)=O)[C@](C)(C(=O)[O-])C1 ZINC000864181080 806391097 /nfs/dbraw/zinc/39/10/97/806391097.db2.gz IVVIOEXMQFHRAN-CWSCBRNRSA-N -1 0 316.379 -0.002 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000864147391 806391180 /nfs/dbraw/zinc/39/11/80/806391180.db2.gz LQXQABXKJKBTKY-DCAQKATOSA-N -1 0 318.395 -0.020 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000864164582 806391441 /nfs/dbraw/zinc/39/14/41/806391441.db2.gz PBSIXQJQTYMFDU-SNVBAGLBSA-N -1 0 304.368 -0.052 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000864213117 806391938 /nfs/dbraw/zinc/39/19/38/806391938.db2.gz DUNMBDWAVQPFCI-QXEWZRGKSA-N -1 0 316.379 -0.096 20 0 DBADRM C[C@@H](NC(=O)Cn1cc(C(=O)[O-])cn1)c1nnnn1C1CC1 ZINC000864203357 806391993 /nfs/dbraw/zinc/39/19/93/806391993.db2.gz UEAOYYULWQODPY-SSDOTTSWSA-N -1 0 305.298 -0.220 20 0 DBADRM Cc1oc(C(=O)NC2CC(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000864205480 806392399 /nfs/dbraw/zinc/39/23/99/806392399.db2.gz MGHKEQNRMNQWKX-UHFFFAOYSA-N -1 0 302.308 -0.172 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000864213406 806392414 /nfs/dbraw/zinc/39/24/14/806392414.db2.gz LTLNNOIGWJOTDG-GUBZILKMSA-N -1 0 302.352 -0.486 20 0 DBADRM CO[C@@H]1CN(C(=O)NC[C@H]2COCCO2)[C@](C)(C(=O)[O-])C1 ZINC000864527126 806396315 /nfs/dbraw/zinc/39/63/15/806396315.db2.gz WTQXXYMWKQWKTN-KWBADKCTSA-N -1 0 302.327 -0.325 20 0 DBADRM CN(C)c1ccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cn1 ZINC001319817634 806411308 /nfs/dbraw/zinc/41/13/08/806411308.db2.gz DAIYZLXHIGWJJZ-UHFFFAOYSA-N -1 0 305.298 -0.774 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C)CCC(=O)[O-] ZINC001319863130 806413238 /nfs/dbraw/zinc/41/32/38/806413238.db2.gz KCPDDLIISJQCGM-VIFPVBQESA-N -1 0 301.343 -0.612 20 0 DBADRM COc1cc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cc(OC)c1 ZINC001319932745 806420080 /nfs/dbraw/zinc/42/00/80/806420080.db2.gz RURJIYFAEXLFGX-UHFFFAOYSA-N -1 0 321.293 -0.218 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NCC(=O)N(C)OC)cc1 ZINC000865883574 806426628 /nfs/dbraw/zinc/42/66/28/806426628.db2.gz HMOIBMSOFFVNIE-UHFFFAOYSA-N -1 0 306.326 -0.416 20 0 DBADRM C[C@H]1CN=C(N2CCN(C(=O)CCc3nnn[n-]3)CC2)S1 ZINC000866088501 806432980 /nfs/dbraw/zinc/43/29/80/806432980.db2.gz NDWPFDDXLVWQIY-VIFPVBQESA-N -1 0 309.399 -0.232 20 0 DBADRM Cc1cnn(CC2CC2)c1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001320052161 806435615 /nfs/dbraw/zinc/43/56/15/806435615.db2.gz CEALXBKLONPLRS-UHFFFAOYSA-N -1 0 319.325 -0.320 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCOC[C@H]1CCOC1 ZINC000866759750 806456242 /nfs/dbraw/zinc/45/62/42/806456242.db2.gz CTACTLZELLWHIO-XTZNXHDOSA-N -1 0 314.429 -0.008 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCN(C(C)C)C1=O ZINC000866792125 806460393 /nfs/dbraw/zinc/46/03/93/806460393.db2.gz UHJNRLYTRXFBEV-NIVTXAMTSA-N -1 0 311.429 -0.052 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H]1CN2CCN1CC2 ZINC000866994153 806466961 /nfs/dbraw/zinc/46/69/61/806466961.db2.gz GWPQPCSLRVOWEX-LLVKDONJSA-N -1 0 324.472 -0.672 20 0 DBADRM COC[C@@H](C[N-]S(=O)(=O)N=S1(=O)CCCC1)OC ZINC000867077229 806470880 /nfs/dbraw/zinc/47/08/80/806470880.db2.gz MIRWNKOAAGOCSX-SECBINFHSA-N -1 0 300.402 -0.256 20 0 DBADRM CCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000867175444 806478319 /nfs/dbraw/zinc/47/83/19/806478319.db2.gz CJQVTGOCDJPIGT-SECBINFHSA-N -1 0 311.429 -0.051 20 0 DBADRM CC(C)([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)N1CCCC1 ZINC000867218118 806480843 /nfs/dbraw/zinc/48/08/43/806480843.db2.gz VLGYSXMIKNPIMD-UHFFFAOYSA-N -1 0 311.429 -0.051 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC1([S@](C)=O)CC1 ZINC000867228441 806482407 /nfs/dbraw/zinc/48/24/07/806482407.db2.gz SOUCVCLXLCLSBN-HOTGVXAUSA-N -1 0 302.443 -0.150 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H](CCOC)COC ZINC000867282873 806485508 /nfs/dbraw/zinc/48/55/08/806485508.db2.gz VISUNUKBKGQUFZ-XLFHBGCDSA-N -1 0 302.418 -0.010 20 0 DBADRM O=C1OCCN1C[C@@H]1CCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC000867316595 806487705 /nfs/dbraw/zinc/48/77/05/806487705.db2.gz QAEFMQWNXPMACI-VIFPVBQESA-N -1 0 300.340 -0.128 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C(COC)COC ZINC000867354970 806492534 /nfs/dbraw/zinc/49/25/34/806492534.db2.gz NKMDMBLXGFZFIL-UHFFFAOYSA-N -1 0 302.418 -0.010 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1COC[C@@H]1OC ZINC000867389703 806494008 /nfs/dbraw/zinc/49/40/08/806494008.db2.gz XTKGSLZWRVFVSL-BDAKNGLRSA-N -1 0 300.402 -0.258 20 0 DBADRM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)C1=O ZINC000867445133 806499206 /nfs/dbraw/zinc/49/92/06/806499206.db2.gz AZIQZFZLUUPYMU-MRVPVSSYSA-N -1 0 311.429 -0.052 20 0 DBADRM CO[C@@H](C[N-]S(=O)(=O)N=S(C)(C)=O)[C@@H]1CCOC1 ZINC000867496670 806502972 /nfs/dbraw/zinc/50/29/72/806502972.db2.gz GVIUUAQVCLLHBT-BDAKNGLRSA-N -1 0 300.402 -0.400 20 0 DBADRM O=[S@@](CCNS(=O)(=O)c1ncc[n-]1)CC(F)(F)F ZINC000867498012 806503255 /nfs/dbraw/zinc/50/32/55/806503255.db2.gz HODAFHUXBPMMQH-KRWDZBQOSA-N -1 0 305.303 -0.001 20 0 DBADRM Cc1cn2c(ncc(C(=O)NCc3nc(=O)o[n-]3)c2=O)s1 ZINC001320572395 806503773 /nfs/dbraw/zinc/50/37/73/806503773.db2.gz XJDKRROUDWFYOZ-UHFFFAOYSA-N -1 0 307.291 -0.329 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC001320604064 806508722 /nfs/dbraw/zinc/50/87/22/806508722.db2.gz WGRXYKAVQNLPLF-UHFFFAOYSA-N -1 0 306.278 -0.957 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC001320620026 806510607 /nfs/dbraw/zinc/51/06/07/806510607.db2.gz UIJGRGHPNMZLEF-UHFFFAOYSA-N -1 0 303.278 -0.656 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc(OC2COC2)cc1 ZINC001320657894 806514533 /nfs/dbraw/zinc/51/45/33/806514533.db2.gz MAJVADCOSSGKGP-UHFFFAOYSA-N -1 0 318.293 -0.768 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccnn1Cc1ccccc1 ZINC001320740243 806524204 /nfs/dbraw/zinc/52/42/04/806524204.db2.gz SOVIZRHBQIKAFQ-UHFFFAOYSA-N -1 0 317.305 -0.597 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(Br)nc1 ZINC001320740312 806524214 /nfs/dbraw/zinc/52/42/14/806524214.db2.gz UURGPYDWZRISRY-UHFFFAOYSA-N -1 0 317.099 -0.684 20 0 DBADRM CCN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000868334232 806544148 /nfs/dbraw/zinc/54/41/48/806544148.db2.gz JYQBPQARWMEUKK-MNOVXSKESA-N -1 0 322.365 -0.085 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](CCCO)C2)C1 ZINC000868340796 806544621 /nfs/dbraw/zinc/54/46/21/806544621.db2.gz HXMMUQGLKHUSTH-VXGBXAGGSA-N -1 0 312.366 -0.069 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C[C@H](C)N1C ZINC000868347668 806544348 /nfs/dbraw/zinc/54/43/48/806544348.db2.gz HLLVPZYDZLVVBT-GRYCIOLGSA-N -1 0 311.382 -0.139 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001321022000 806556961 /nfs/dbraw/zinc/55/69/61/806556961.db2.gz AGIPPJXOLKJKMG-JKERVTFKSA-N -1 0 309.326 -0.775 20 0 DBADRM CC(C)Cc1ncc(NC(=O)C(=O)NCc2nnn[n-]2)cn1 ZINC001321060818 806565741 /nfs/dbraw/zinc/56/57/41/806565741.db2.gz LHNFXTTYNGKBJE-UHFFFAOYSA-N -1 0 304.314 -0.557 20 0 DBADRM Cn1ccc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cc1=O ZINC001321120551 806575206 /nfs/dbraw/zinc/57/52/06/806575206.db2.gz KXRIYUWHFAPQJB-NSCUHMNNSA-N -1 0 318.337 -0.715 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC001321129083 806576663 /nfs/dbraw/zinc/57/66/63/806576663.db2.gz BRVMQUQBVNWFIE-UHFFFAOYSA-N -1 0 319.321 -0.041 20 0 DBADRM CC(=O)OC[C@@H](CO)NC(=O)CSc1n[n-]c(=S)s1 ZINC001321216148 806588783 /nfs/dbraw/zinc/58/87/83/806588783.db2.gz OVEMFXSAFHLMNE-ZCFIWIBFSA-N -1 0 323.421 -0.041 20 0 DBADRM C[C@@]1(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)CCC(=O)NC1 ZINC001321221045 806588854 /nfs/dbraw/zinc/58/88/54/806588854.db2.gz DQMNFVVHBKBANB-BAABZTOOSA-N -1 0 322.369 -0.811 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000870064512 806592941 /nfs/dbraw/zinc/59/29/41/806592941.db2.gz AEKHCKXIDIPRHY-NSHDSACASA-N -1 0 310.354 -0.403 20 0 DBADRM CCO[C@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)CCOC ZINC000870198668 806596090 /nfs/dbraw/zinc/59/60/90/806596090.db2.gz FFWHZWYKKDVLSS-MNOVXSKESA-N -1 0 309.384 -0.090 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)/C=C/COC1CCOCC1 ZINC000870198585 806596338 /nfs/dbraw/zinc/59/63/38/806596338.db2.gz DANWIXVYNSPWLO-NSCUHMNNSA-N -1 0 307.368 -0.169 20 0 DBADRM CCOC1CC2(C[C@@H]2C(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000870214798 806597445 /nfs/dbraw/zinc/59/74/45/806597445.db2.gz UJHPAOPSDHOVQH-QWKFWESOSA-N -1 0 318.395 -0.115 20 0 DBADRM COCCn1ncc(C(=O)[N-]S(=O)(=O)[C@H](C)COC)c1C ZINC000870205971 806597609 /nfs/dbraw/zinc/59/76/09/806597609.db2.gz YKOCNJHQHPZFCY-SECBINFHSA-N -1 0 319.383 -0.068 20 0 DBADRM CCO[C@@H](C(=O)[N-]S(=O)(=O)N(C)CCOC)[C@@H]1CCOC1 ZINC000870236921 806598167 /nfs/dbraw/zinc/59/81/67/806598167.db2.gz YNURURLXNLIXMO-GHMZBOCLSA-N -1 0 324.399 -0.633 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)Cn1ccc(C)n1 ZINC000870236252 806598705 /nfs/dbraw/zinc/59/87/05/806598705.db2.gz BLTPOMBEQGWWDA-SNVBAGLBSA-N -1 0 318.399 -0.233 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000870243843 806598798 /nfs/dbraw/zinc/59/87/98/806598798.db2.gz QUNOTLRPYBURSX-OUAUKWLOSA-N -1 0 309.384 -0.091 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)C2(COC)CC2)cn1 ZINC000870376028 806601252 /nfs/dbraw/zinc/60/12/52/806601252.db2.gz YMVCDSYQTPSPGX-UHFFFAOYSA-N -1 0 317.367 -0.232 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC001321417096 806623606 /nfs/dbraw/zinc/62/36/06/806623606.db2.gz XHKGGJOQGRNWPH-JTQLQIEISA-N -1 0 312.326 -0.448 20 0 DBADRM O=C(NCCCN1C(=O)CCC1=O)c1c[n-]n2c1nccc2=O ZINC001321484540 806630228 /nfs/dbraw/zinc/63/02/28/806630228.db2.gz GTYFKFJVXHYFAE-UHFFFAOYSA-N -1 0 317.305 -0.709 20 0 DBADRM NC(=O)c1cccc(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)c1 ZINC001321514701 806634526 /nfs/dbraw/zinc/63/45/26/806634526.db2.gz LYWVXQPPTZLCMC-NSHDSACASA-N -1 0 321.333 -0.514 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)CCc2ccccc2F)C1 ZINC000871996680 806645820 /nfs/dbraw/zinc/64/58/20/806645820.db2.gz DWMGKHCMGBQFHO-UHFFFAOYSA-N -1 0 303.311 -0.171 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000871997535 806646853 /nfs/dbraw/zinc/64/68/53/806646853.db2.gz VGRCIGKAFDRDFQ-UHFFFAOYSA-N -1 0 311.237 -0.076 20 0 DBADRM O=C(c1ccc2nncn2c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001321695068 806659536 /nfs/dbraw/zinc/65/95/36/806659536.db2.gz QCGIHGMFHXWEGT-VIFPVBQESA-N -1 0 300.282 -0.544 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000873517626 806687626 /nfs/dbraw/zinc/68/76/26/806687626.db2.gz OORYUADCKGYKFP-KXUCPTDWSA-N -1 0 305.352 -0.189 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001321953839 806692097 /nfs/dbraw/zinc/69/20/97/806692097.db2.gz XBCGONQDCVDNCK-SSDOTTSWSA-N -1 0 309.248 -0.217 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC(C2OCCO2)CC1 ZINC000874409229 806706872 /nfs/dbraw/zinc/70/68/72/806706872.db2.gz WVVVLZUVQGRNEG-UHFFFAOYSA-N -1 0 302.327 -0.118 20 0 DBADRM CC(C)=CCN1CCO[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001035430755 814932989 /nfs/dbraw/zinc/93/29/89/814932989.db2.gz APJNZPUGIAAHEJ-SNVBAGLBSA-N -1 0 323.353 -0.320 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc(C=O)n1C)[C@@H](C)C(=O)[O-] ZINC000874964392 806723817 /nfs/dbraw/zinc/72/38/17/806723817.db2.gz SUYBOOZSCIZUAN-VIFPVBQESA-N -1 0 309.322 -0.111 20 0 DBADRM Cn1c(=O)ccc2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc21 ZINC001322240956 806725325 /nfs/dbraw/zinc/72/53/25/806725325.db2.gz BMUQTNJZJPSPSF-UHFFFAOYSA-N -1 0 318.289 -0.990 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000874899211 806720970 /nfs/dbraw/zinc/72/09/70/806720970.db2.gz IWCDNEDATCQWDR-UHFFFAOYSA-N -1 0 315.276 -0.395 20 0 DBADRM Cc1nn2cccnc2c1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC001322346002 806734644 /nfs/dbraw/zinc/73/46/44/806734644.db2.gz FYQXPHJWQQXURL-UHFFFAOYSA-N -1 0 321.322 -0.188 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCN1CCOC[C@@H]1CC ZINC000875697887 806763170 /nfs/dbraw/zinc/76/31/70/806763170.db2.gz GGDPLXODNJKFEX-NSHDSACASA-N -1 0 302.375 -0.536 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCC[C@H]1CNC(C)=O ZINC000875698550 806763419 /nfs/dbraw/zinc/76/34/19/806763419.db2.gz SGDZJTZWKQRRKO-NSHDSACASA-N -1 0 300.359 -0.246 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@H]1c2ccccc2CN1C ZINC000875766118 806765174 /nfs/dbraw/zinc/76/51/74/806765174.db2.gz IYMDUZSYANQJBQ-ZDUSSCGKSA-N -1 0 307.350 -0.017 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC001322898326 806796479 /nfs/dbraw/zinc/79/64/79/806796479.db2.gz HINZOBQEZQEEDH-QMMMGPOBSA-N -1 0 301.368 -0.723 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)C(=O)[N-]OCCCOC ZINC001323058866 806818767 /nfs/dbraw/zinc/81/87/67/806818767.db2.gz JHZFAIAWMRRAKE-UHFFFAOYSA-N -1 0 323.349 -0.002 20 0 DBADRM COC(=O)[C@@H]1CCC[C@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001323116835 806826240 /nfs/dbraw/zinc/82/62/40/806826240.db2.gz FLFDDHBZXMFGIS-NXEZZACHSA-N -1 0 309.322 -0.615 20 0 DBADRM Cc1c(C(=O)NCc2n[nH]c(=O)[n-]2)nnn1Cc1ccncc1 ZINC001323561609 806888639 /nfs/dbraw/zinc/88/86/39/806888639.db2.gz OYSRPIPOHLOEII-UHFFFAOYSA-N -1 0 314.309 -0.216 20 0 DBADRM COCCn1[n-]c(C)c(C(=O)N[C@H](C)c2nncn2C)c1=O ZINC001323577995 806889906 /nfs/dbraw/zinc/88/99/06/806889906.db2.gz OKLAVPPNKRWMIY-NXEZZACHSA-N -1 0 308.342 -0.527 20 0 DBADRM COC[C@H](NC(=O)C(=O)[N-]OC[C@H]1CCOC1)[C@@H]1CCCO1 ZINC001323585268 806892089 /nfs/dbraw/zinc/89/20/89/806892089.db2.gz KCEXYSXSSBNHPR-SRVKXCTJSA-N -1 0 316.354 -0.619 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(CCS(N)(=O)=O)C1 ZINC000879766236 806901005 /nfs/dbraw/zinc/90/10/05/806901005.db2.gz VYQBFBISQLIXSF-MRVPVSSYSA-N -1 0 303.306 -0.582 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001323918656 806927961 /nfs/dbraw/zinc/92/79/61/806927961.db2.gz KAJRSPKGWXKEOO-VIFPVBQESA-N -1 0 316.383 -0.598 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1cccn(CC)c1=O ZINC001324136540 806946847 /nfs/dbraw/zinc/94/68/47/806946847.db2.gz NAKPGPLBNRAJRA-UHFFFAOYSA-N -1 0 311.338 -0.431 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)/C=C\c1ccncn1 ZINC001324288439 806959840 /nfs/dbraw/zinc/95/98/40/806959840.db2.gz YOBVOGIABJKGLJ-IHWYPQMZSA-N -1 0 315.351 -0.401 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1c(C(=O)OC)cnn1C ZINC001324299844 806961697 /nfs/dbraw/zinc/96/16/97/806961697.db2.gz RUQDXKUKBPUZOE-UHFFFAOYSA-N -1 0 314.298 -0.771 20 0 DBADRM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000882241418 806973708 /nfs/dbraw/zinc/97/37/08/806973708.db2.gz KSJDLNYAQHYSGU-OOSSNNJISA-N -1 0 315.417 -0.801 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC001324750330 807003732 /nfs/dbraw/zinc/00/37/32/807003732.db2.gz FBVXAYUALFHSJV-LLVKDONJSA-N -1 0 316.354 -0.272 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cccnc1Cl ZINC000035219836 803758744 /nfs/dbraw/zinc/75/87/44/803758744.db2.gz LINMUQBNSQEVCV-RNFRBKRXSA-N -1 0 306.727 -0.057 20 0 DBADRM C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)C1 ZINC000035680400 803759488 /nfs/dbraw/zinc/75/94/88/803759488.db2.gz PQFUWULDQQJFDS-RYUDHWBXSA-N -1 0 319.427 -0.089 20 0 DBADRM Cn1cnnc1CNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000037984315 803760499 /nfs/dbraw/zinc/76/04/99/803760499.db2.gz CIGWAJQFNOBWJB-UHFFFAOYSA-N -1 0 312.307 -0.303 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000037225718 803760562 /nfs/dbraw/zinc/76/05/62/803760562.db2.gz ZYJACBMSMLSOFX-SNVBAGLBSA-N -1 0 317.319 -0.495 20 0 DBADRM CCN(CC)C(=O)N1CCN(C(=O)COCC(=O)[O-])CC1 ZINC000041073511 803762042 /nfs/dbraw/zinc/76/20/42/803762042.db2.gz OKNIZFDBXHFFKX-UHFFFAOYSA-N -1 0 301.343 -0.306 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cn1 ZINC000042346075 803765331 /nfs/dbraw/zinc/76/53/31/803765331.db2.gz ULOYFOJBVUYQQC-UHFFFAOYSA-N -1 0 311.323 -0.449 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]N=c1nccc[nH]1 ZINC000044668170 803769362 /nfs/dbraw/zinc/76/93/62/803769362.db2.gz FIQMFNFQEROLCP-UHFFFAOYSA-N -1 0 312.311 -0.318 20 0 DBADRM COCCn1cc(C(=O)N[N-]C(=O)c2ccccn2)ccc1=O ZINC000047301816 803771370 /nfs/dbraw/zinc/77/13/70/803771370.db2.gz ZGRTZEOSOOWTPB-UHFFFAOYSA-N -1 0 316.317 -0.036 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000048445702 803773745 /nfs/dbraw/zinc/77/37/45/803773745.db2.gz SIGOMUGTIBXMQR-LURJTMIESA-N -1 0 302.308 -0.497 20 0 DBADRM Cc1nn(C)c(Cl)c1C(=O)[N-]NC(=O)C(=O)NC(C)C ZINC000048405785 803774296 /nfs/dbraw/zinc/77/42/96/803774296.db2.gz GRQWJQLIUBWJFU-UHFFFAOYSA-N -1 0 301.734 -0.332 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@H]1CC12CC2 ZINC001035520523 814965499 /nfs/dbraw/zinc/96/54/99/814965499.db2.gz CZDYCRFJIIILFQ-NXEZZACHSA-N -1 0 307.354 -0.373 20 0 DBADRM C[C@@]1(NC(=O)C(=O)NCC2CC2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001278434498 803792236 /nfs/dbraw/zinc/79/22/36/803792236.db2.gz QSXODFXTBLWVEL-CQSZACIVSA-N -1 0 322.369 -0.883 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000090275055 803800142 /nfs/dbraw/zinc/80/01/42/803800142.db2.gz KKHIOXZLOPFXSZ-OTYXRUKQSA-N -1 0 300.355 -0.025 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@@H](O)CO)cc1C(=O)[O-] ZINC000090283345 803800648 /nfs/dbraw/zinc/80/06/48/803800648.db2.gz PLSOXKWQGNHOTC-SSDOTTSWSA-N -1 0 305.308 -0.975 20 0 DBADRM O=C(N[C@H]1CCS(=O)(=O)C1)c1n[n-]c2ccccc2c1=O ZINC000109942893 803806525 /nfs/dbraw/zinc/80/65/25/803806525.db2.gz HHUZUUDGIPLGGH-QMMMGPOBSA-N -1 0 307.331 -0.160 20 0 DBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)[N-]OCCOC ZINC000135136422 803816853 /nfs/dbraw/zinc/81/68/53/803816853.db2.gz GVMNGNGNBAWEOV-VIFPVBQESA-N -1 0 314.429 -0.258 20 0 DBADRM C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000136089813 803817039 /nfs/dbraw/zinc/81/70/39/803817039.db2.gz HTQWXRCVULJPMT-MRVPVSSYSA-N -1 0 300.336 -0.144 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCO[C@@H](CO)C2)ccc1F ZINC000167086930 803823102 /nfs/dbraw/zinc/82/31/02/803823102.db2.gz XUUPZGDRAOQGRA-MRVPVSSYSA-N -1 0 319.310 -0.094 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc2nonc21 ZINC000275289811 803833891 /nfs/dbraw/zinc/83/38/91/803833891.db2.gz LWRSYASXSSGVNB-HTRCEHHLSA-N -1 0 313.291 -0.569 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000316362586 803839750 /nfs/dbraw/zinc/83/97/50/803839750.db2.gz GOHGEQMSIJJHOT-MNOVXSKESA-N -1 0 315.347 -0.333 20 0 DBADRM Cc1ccc(S(=O)(=O)N2C[C@H](CO)[C@H](O)C2)cc1C(=O)[O-] ZINC000316782719 803839906 /nfs/dbraw/zinc/83/99/06/803839906.db2.gz FAVKADSPCUUNIH-BXKDBHETSA-N -1 0 315.347 -0.333 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1 ZINC000323193503 803840425 /nfs/dbraw/zinc/84/04/25/803840425.db2.gz SHLSSNSKKKDUSX-GHMZBOCLSA-N -1 0 317.319 -0.812 20 0 DBADRM NC(=O)C1(O)CCN(S(=O)(=O)c2ccccc2[O-])CC1 ZINC000380311701 803852338 /nfs/dbraw/zinc/85/23/38/803852338.db2.gz UYZWKPSVLOZVDC-UHFFFAOYSA-N -1 0 300.336 -0.607 20 0 DBADRM NC(=O)C1CN(S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)C1 ZINC000381975322 803853389 /nfs/dbraw/zinc/85/33/89/803853389.db2.gz VUHPWAYJVXABDZ-UHFFFAOYSA-N -1 0 312.347 -0.190 20 0 DBADRM O=C([O-])COCC(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000386457807 803855506 /nfs/dbraw/zinc/85/55/06/803855506.db2.gz SQQQNAYCQVUDCD-UHFFFAOYSA-N -1 0 309.322 -0.364 20 0 DBADRM CN(CC(=O)N1CC[C@@](O)(C(=O)[O-])C1)C(=O)c1cccs1 ZINC000386419387 803855678 /nfs/dbraw/zinc/85/56/78/803855678.db2.gz HHQZSVQRVDYOPE-ZDUSSCGKSA-N -1 0 312.347 -0.132 20 0 DBADRM CCn1cc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)nc1C ZINC000386503448 803855877 /nfs/dbraw/zinc/85/58/77/803855877.db2.gz UUBNJJDWVYTBCD-LLVKDONJSA-N -1 0 303.340 -0.578 20 0 DBADRM CN(CC(=O)N1CC[C@](O)(C(=O)[O-])C1)C(=O)c1cccs1 ZINC000386419384 803856016 /nfs/dbraw/zinc/85/60/16/803856016.db2.gz HHQZSVQRVDYOPE-CYBMUJFWSA-N -1 0 312.347 -0.132 20 0 DBADRM O=c1nc(CCNS(=O)(=O)c2cccnc2Cl)[n-]o1 ZINC000392317336 803858843 /nfs/dbraw/zinc/85/88/43/803858843.db2.gz QZOXDRYFRDQGQA-UHFFFAOYSA-N -1 0 304.715 -0.068 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N[C@@]2(CO)CCOC2)c1 ZINC000393882921 803859916 /nfs/dbraw/zinc/85/99/16/803859916.db2.gz MEODZWBQGZYEQN-GFCCVEGCSA-N -1 0 319.310 -0.046 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000394600873 803860081 /nfs/dbraw/zinc/86/00/81/803860081.db2.gz PHFVVLGSMLITGP-GFCCVEGCSA-N -1 0 319.335 -0.234 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N[C@@]2(CO)CCOC2)c1 ZINC000393869481 803860228 /nfs/dbraw/zinc/86/02/28/803860228.db2.gz BXZGDPRZGSTPJR-GFCCVEGCSA-N -1 0 301.320 -0.186 20 0 DBADRM CC(=O)c1cc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)n(C)c1 ZINC000396666224 803860705 /nfs/dbraw/zinc/86/07/05/803860705.db2.gz VXXOTZQBEVSECO-UHFFFAOYSA-N -1 0 307.306 -0.403 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000395382600 803861261 /nfs/dbraw/zinc/86/12/61/803861261.db2.gz ZGHFBJUWAFXULG-LLVKDONJSA-N -1 0 316.291 -0.195 20 0 DBADRM C[C@@H]1C[C@@H](CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCO1 ZINC000396712515 803861923 /nfs/dbraw/zinc/86/19/23/803861923.db2.gz INPXGSCYOHTELP-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000396746493 803862026 /nfs/dbraw/zinc/86/20/26/803862026.db2.gz NYRDRVSSRSMBLY-GFCCVEGCSA-N -1 0 320.301 -0.418 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)COc2ccccc2F)CC1 ZINC000396668939 803862328 /nfs/dbraw/zinc/86/23/28/803862328.db2.gz XNJXLWUHADKZOX-UHFFFAOYSA-N -1 0 310.281 -0.040 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CNC(=O)C2)ccc1F ZINC000398352264 803863366 /nfs/dbraw/zinc/86/33/66/803863366.db2.gz JVMZBPAXZRQWGL-ZETCQYMHSA-N -1 0 316.310 -0.062 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCOC[C@H](O)C2)cc1 ZINC000399929840 803864159 /nfs/dbraw/zinc/86/41/59/803864159.db2.gz MITKATUMIOWPMR-SNVBAGLBSA-N -1 0 301.320 -0.233 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000398668344 803864416 /nfs/dbraw/zinc/86/44/16/803864416.db2.gz CZGODRFAXIKHCJ-NXEZZACHSA-N -1 0 321.399 -0.322 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC[C@@]2(O)CCOC2)c[nH]1 ZINC000403108206 803865738 /nfs/dbraw/zinc/86/57/38/803865738.db2.gz GIFUHFGUUMBJGB-LLVKDONJSA-N -1 0 304.324 -0.467 20 0 DBADRM C[C@H]1CN(CCNC(=O)CSc2n[nH]c(=O)[n-]2)CCO1 ZINC000558491714 803873281 /nfs/dbraw/zinc/87/32/81/803873281.db2.gz PUWUOZOBHVENCM-QMMMGPOBSA-N -1 0 301.372 -0.561 20 0 DBADRM CN(C(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1nnn[n-]1 ZINC001279180927 803875123 /nfs/dbraw/zinc/87/51/23/803875123.db2.gz QQJAJXHWSUUDDD-UHFFFAOYSA-N -1 0 307.314 -0.583 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc(OC)n(C)n1 ZINC000577415871 803876480 /nfs/dbraw/zinc/87/64/80/803876480.db2.gz WRMPXYZQRQIAJF-UHFFFAOYSA-N -1 0 305.356 0.370 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)c3cc(=O)[nH]cn3)CC2)[nH]1 ZINC000625705965 803888803 /nfs/dbraw/zinc/88/88/03/803888803.db2.gz VSVMZOJFCUQMSG-UHFFFAOYSA-N -1 0 303.326 -0.433 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000650428509 803898244 /nfs/dbraw/zinc/89/82/44/803898244.db2.gz MVLFUORWIPPRPO-SNVBAGLBSA-N -1 0 316.383 -0.106 20 0 DBADRM C[C@H](C(=O)[O-])C1(NS(=O)(=O)CCCS(C)(=O)=O)CC1 ZINC000650426912 803898399 /nfs/dbraw/zinc/89/83/99/803898399.db2.gz XKWQZDWSUACBOO-MRVPVSSYSA-N -1 0 313.397 -0.406 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650428507 803898635 /nfs/dbraw/zinc/89/86/35/803898635.db2.gz MVLFUORWIPPRPO-JTQLQIEISA-N -1 0 316.383 -0.106 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)[C@@H]1C(=O)[O-] ZINC000650424153 803898773 /nfs/dbraw/zinc/89/87/73/803898773.db2.gz RDHPBINOYRHSCS-UTINFBMNSA-N -1 0 322.383 -0.645 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N[C@@H](Cc2ncccn2)C(=O)[O-])C1 ZINC000650428560 803898928 /nfs/dbraw/zinc/89/89/28/803898928.db2.gz OBHLGGGXEWSOHI-ZJUUUORDSA-N -1 0 314.367 -0.352 20 0 DBADRM C[C@@H](C(=O)[O-])C1(NS(=O)(=O)CCCS(C)(=O)=O)CC1 ZINC000650426913 803898969 /nfs/dbraw/zinc/89/89/69/803898969.db2.gz XKWQZDWSUACBOO-QMMMGPOBSA-N -1 0 313.397 -0.406 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)NC1CC(C(=O)[O-])C1 ZINC000693439982 803909104 /nfs/dbraw/zinc/90/91/04/803909104.db2.gz AKJUBHWFMYXVOR-RTBKNWGFSA-N -1 0 304.368 -0.220 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1c[nH]nc1C ZINC000692337853 803909366 /nfs/dbraw/zinc/90/93/66/803909366.db2.gz VVYHTZJMYBFFFJ-NSHDSACASA-N -1 0 303.340 -0.028 20 0 DBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)NC1CC(C(=O)[O-])C1 ZINC000693394642 803909571 /nfs/dbraw/zinc/90/95/71/803909571.db2.gz JZMRFFVADLTASN-AMDVSUOASA-N -1 0 307.393 -0.114 20 0 DBADRM C[C@H]1CC(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000707285736 803917459 /nfs/dbraw/zinc/91/74/59/803917459.db2.gz DKFINDORKAYIHZ-ZETCQYMHSA-N -1 0 302.308 -0.123 20 0 DBADRM CS(=O)(=O)N1CCC(CNS(=O)(=O)c2ncc[n-]2)CC1 ZINC000709831928 803919336 /nfs/dbraw/zinc/91/93/36/803919336.db2.gz RTVSGPOICIIOFZ-UHFFFAOYSA-N -1 0 322.412 -0.640 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1)n1cncn1 ZINC000737560532 803933981 /nfs/dbraw/zinc/93/39/81/803933981.db2.gz RLRKUWNTOHVECA-MNOVXSKESA-N -1 0 323.353 -0.379 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cnn(-c2ccccc2)n1 ZINC000737613485 803934683 /nfs/dbraw/zinc/93/46/83/803934683.db2.gz OYYWLDSMAKGBGO-UHFFFAOYSA-N -1 0 318.289 -0.033 20 0 DBADRM O=C(CCCNC(=O)C1CC1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000738055688 803935643 /nfs/dbraw/zinc/93/56/43/803935643.db2.gz PAQGYNDFDHXFFB-JTQLQIEISA-N -1 0 308.342 -0.594 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1ccn(C)n1 ZINC000737971199 803935905 /nfs/dbraw/zinc/93/59/05/803935905.db2.gz HCIOHCIGRRXCIZ-JTQLQIEISA-N -1 0 308.338 -0.185 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000738375445 803936858 /nfs/dbraw/zinc/93/68/58/803936858.db2.gz JMJZWZUPMOLXRS-SECBINFHSA-N -1 0 322.365 -0.104 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000738375446 803937462 /nfs/dbraw/zinc/93/74/62/803937462.db2.gz JMJZWZUPMOLXRS-VIFPVBQESA-N -1 0 322.365 -0.104 20 0 DBADRM Cn1nc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1C1CC1 ZINC000738418532 803937491 /nfs/dbraw/zinc/93/74/91/803937491.db2.gz IJUQGAWCUMQYKG-UHFFFAOYSA-N -1 0 306.322 -0.334 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])c1nnc2n1CCC2 ZINC000738959424 803938792 /nfs/dbraw/zinc/93/87/92/803938792.db2.gz RXEQOFYYYDHBOP-BDAKNGLRSA-N -1 0 309.326 -0.220 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cccc3c2OCO3)CC1 ZINC000738517994 803939109 /nfs/dbraw/zinc/93/91/09/803939109.db2.gz ZDGYTXBXFPBKQX-UHFFFAOYSA-N -1 0 306.274 -0.216 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000739192139 803939794 /nfs/dbraw/zinc/93/97/94/803939794.db2.gz IYAFDYOYDJBOMI-GFCCVEGCSA-N -1 0 317.367 -0.437 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000739203653 803939835 /nfs/dbraw/zinc/93/98/35/803939835.db2.gz MYSPGVASRRDELH-UHFFFAOYSA-N -1 0 319.383 -0.047 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000739200894 803940483 /nfs/dbraw/zinc/94/04/83/803940483.db2.gz NYUVFRCPQZMOTI-VIFPVBQESA-N -1 0 312.413 -0.344 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000739313760 803940858 /nfs/dbraw/zinc/94/08/58/803940858.db2.gz STMUFRCHIXNVOJ-WIUDPPPLSA-N -1 0 319.427 -0.055 20 0 DBADRM COCCN(CC(=O)N1CCCN(C(N)=O)CC1)C(=O)[O-] ZINC000739816348 803942165 /nfs/dbraw/zinc/94/21/65/803942165.db2.gz KMYBSULTMWPPBE-UHFFFAOYSA-N -1 0 302.331 -0.774 20 0 DBADRM COCCN(CC(=O)N1CCNC(=O)[C@H]1C(C)C)C(=O)[O-] ZINC000739824415 803942396 /nfs/dbraw/zinc/94/23/96/803942396.db2.gz WWOUGYJDNYXVDF-LLVKDONJSA-N -1 0 301.343 -0.404 20 0 DBADRM CNC(=O)CC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001280270878 803944420 /nfs/dbraw/zinc/94/44/20/803944420.db2.gz NRJBFAWOLUIQLX-NKWVEPMBSA-N -1 0 311.342 -0.817 20 0 DBADRM CCOC(=O)[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)CCO1 ZINC000741253185 803954032 /nfs/dbraw/zinc/95/40/32/803954032.db2.gz ZRIBJSVKGKUQPS-NSHDSACASA-N -1 0 306.322 -0.214 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCCOC[C@H]1CCCO1 ZINC000741322666 803957848 /nfs/dbraw/zinc/95/78/48/803957848.db2.gz VRAVGGKWBLRISM-SNVBAGLBSA-N -1 0 322.321 -0.190 20 0 DBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CC(C)C)C(C)C ZINC000741436643 803958632 /nfs/dbraw/zinc/95/86/32/803958632.db2.gz OCIYRKVFCIVJDB-NSHDSACASA-N -1 0 308.400 -0.124 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)[C@H]2CCNC2=O)c1[O-] ZINC001280456588 803961047 /nfs/dbraw/zinc/96/10/47/803961047.db2.gz CGHDCFWNYIUXDT-APPZFPTMSA-N -1 0 323.353 -0.863 20 0 DBADRM CO[C@H](CNS(=O)(=O)CCS(C)(=O)=O)C(F)(F)F ZINC000742296736 803967978 /nfs/dbraw/zinc/96/79/78/803967978.db2.gz HLJRNMGDJMYNCW-ZCFIWIBFSA-N -1 0 313.319 -0.472 20 0 DBADRM CC[C@H](C)[C@@](C)(O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000743483087 803980557 /nfs/dbraw/zinc/98/05/57/803980557.db2.gz XEKNNCZFCKESEY-XPTSAGLGSA-N -1 0 307.354 -0.016 20 0 DBADRM CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000744017402 803985335 /nfs/dbraw/zinc/98/53/35/803985335.db2.gz CBHMWQMGCNEMSI-UHFFFAOYSA-N -1 0 316.383 -0.223 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000744240906 803988601 /nfs/dbraw/zinc/98/86/01/803988601.db2.gz SYPVPOPZFMKBAP-JTQLQIEISA-N -1 0 307.397 -0.635 20 0 DBADRM CC(C)=CC(=O)N[C@H]1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001280748704 804011350 /nfs/dbraw/zinc/01/13/50/804011350.db2.gz UKMRISLIUCJARV-KYZUINATSA-N -1 0 321.337 -0.126 20 0 DBADRM CC[C@@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)N1CCCC1=O ZINC000746236632 804012614 /nfs/dbraw/zinc/01/26/14/804012614.db2.gz KPLHWEUQQNHLDK-VHSXEESVSA-N -1 0 308.342 -0.499 20 0 DBADRM CCC(=O)N[C@@H](C)CCCNC(=O)c1cnc([O-])n(C)c1=O ZINC001280778262 804017238 /nfs/dbraw/zinc/01/72/38/804017238.db2.gz QTMZSMWRPXEFGY-VIFPVBQESA-N -1 0 310.354 -0.089 20 0 DBADRM Cc1cnoc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035565790 814984875 /nfs/dbraw/zinc/98/48/75/814984875.db2.gz BTEWILMYJZVDIG-SECBINFHSA-N -1 0 322.325 -0.562 20 0 DBADRM CN(CCCN(C)C(=O)C(C)(C)C(N)=O)Cc1n[nH]c(=O)[n-]1 ZINC001280821503 804023808 /nfs/dbraw/zinc/02/38/08/804023808.db2.gz CUOUUGGDVDFVSQ-UHFFFAOYSA-N -1 0 312.374 -0.698 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000747473676 804029563 /nfs/dbraw/zinc/02/95/63/804029563.db2.gz KFGMNDVOYXWPRC-NSHDSACASA-N -1 0 309.351 -0.160 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1C ZINC000747757093 804032067 /nfs/dbraw/zinc/03/20/67/804032067.db2.gz JUDLDYGNLMMNQT-UHFFFAOYSA-N -1 0 316.383 -0.173 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000748298529 804037682 /nfs/dbraw/zinc/03/76/82/804037682.db2.gz XBHMSGJVJMNFKB-GXTWGEPZSA-N -1 0 315.329 -0.299 20 0 DBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000748496087 804041664 /nfs/dbraw/zinc/04/16/64/804041664.db2.gz JALSMROCJJTPIP-UHFFFAOYSA-N -1 0 305.377 -0.280 20 0 DBADRM CC(C)CS(=O)(=O)[N-]C(=O)Cn1nnc2ccccc2c1=O ZINC000749069848 804046463 /nfs/dbraw/zinc/04/64/63/804046463.db2.gz GUCRPYYUXLTSPD-UHFFFAOYSA-N -1 0 324.362 -0.107 20 0 DBADRM CC(C)CS(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000749070660 804047023 /nfs/dbraw/zinc/04/70/23/804047023.db2.gz LMXUCASMAHQFSI-UHFFFAOYSA-N -1 0 306.384 -0.273 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C=C1CCC1 ZINC001281032461 804060362 /nfs/dbraw/zinc/06/03/62/804060362.db2.gz OTMADFDBIABHPI-VIFPVBQESA-N -1 0 323.353 -0.237 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750725014 804064153 /nfs/dbraw/zinc/06/41/53/804064153.db2.gz KHXHIDBTAZUNSI-UHFFFAOYSA-N -1 0 302.356 -0.656 20 0 DBADRM O=C(CCOC[C@@H]1CCCO1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750729404 804064465 /nfs/dbraw/zinc/06/44/65/804064465.db2.gz RHMINHXMVSDVBN-NSHDSACASA-N -1 0 322.383 -0.735 20 0 DBADRM O=C(CCn1cc(Cl)cn1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750731702 804064553 /nfs/dbraw/zinc/06/45/53/804064553.db2.gz ODFCBWIOLZFCOO-UHFFFAOYSA-N -1 0 322.774 -0.380 20 0 DBADRM Cc1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c(C)n1C ZINC000750732323 804064717 /nfs/dbraw/zinc/06/47/17/804064717.db2.gz ZZXIAAJIUNXYSZ-UHFFFAOYSA-N -1 0 301.368 -0.051 20 0 DBADRM NC(=O)c1csc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000750727001 804064737 /nfs/dbraw/zinc/06/47/37/804064737.db2.gz CEEZCYGOTAQSMJ-UHFFFAOYSA-N -1 0 319.364 -0.846 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000752915417 804094962 /nfs/dbraw/zinc/09/49/62/804094962.db2.gz PPHMCLDEULFXAJ-VHSXEESVSA-N -1 0 310.383 -0.173 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cc(=O)[nH][n-]1 ZINC000753499056 804104415 /nfs/dbraw/zinc/10/44/15/804104415.db2.gz NXEUWJXBKUUYNL-NSHDSACASA-N -1 0 315.333 -0.435 20 0 DBADRM O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1cc(=O)[nH][n-]1 ZINC000753503894 804104828 /nfs/dbraw/zinc/10/48/28/804104828.db2.gz DMGVFGFSPIPNLF-JTQLQIEISA-N -1 0 301.306 -0.431 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000753804677 804109216 /nfs/dbraw/zinc/10/92/16/804109216.db2.gz IYAZPNMVMZMFNM-UHFFFAOYSA-N -1 0 324.380 -0.082 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCOC[C@@]12CCOC2 ZINC001465112374 804121676 /nfs/dbraw/zinc/12/16/76/804121676.db2.gz LIOCWNVDCDNBBE-SCVCMEIPSA-N -1 0 305.352 -0.329 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000755117655 804132493 /nfs/dbraw/zinc/13/24/93/804132493.db2.gz YNSMUKSEXVOTEU-SNVBAGLBSA-N -1 0 324.424 -0.344 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000755117654 804132925 /nfs/dbraw/zinc/13/29/25/804132925.db2.gz YNSMUKSEXVOTEU-JTQLQIEISA-N -1 0 324.424 -0.344 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H](C)n1nnnc1C(C)(C)C ZINC000755673513 804138642 /nfs/dbraw/zinc/13/86/42/804138642.db2.gz ZXGYROIQDYUEPE-QMMMGPOBSA-N -1 0 319.387 -0.376 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000755754770 804140271 /nfs/dbraw/zinc/14/02/71/804140271.db2.gz AWKMAECXHAEHEV-WDEREUQCSA-N -1 0 306.384 -0.810 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)n1nnnc1C(C)(C)C ZINC000755708667 804140561 /nfs/dbraw/zinc/14/05/61/804140561.db2.gz QUGQPPHGEWDGBO-QMMMGPOBSA-N -1 0 318.403 -0.156 20 0 DBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)s1 ZINC000755873215 804141251 /nfs/dbraw/zinc/14/12/51/804141251.db2.gz KTPCAWHAUKWIOT-SSDOTTSWSA-N -1 0 303.365 -0.217 20 0 DBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000755872651 804141377 /nfs/dbraw/zinc/14/13/77/804141377.db2.gz SVJDVMNGHQFIST-LLVKDONJSA-N -1 0 321.381 -0.983 20 0 DBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)s1 ZINC000755871189 804141871 /nfs/dbraw/zinc/14/18/71/804141871.db2.gz ANFBDFCZLIXTKO-UHFFFAOYSA-N -1 0 314.348 -0.003 20 0 DBADRM O=C(CCC(=O)N1CCO[C@H](c2nnn[n-]2)C1)NC1CCCC1 ZINC000755880364 804143437 /nfs/dbraw/zinc/14/34/37/804143437.db2.gz BPPZQOUJRLMKBK-NSHDSACASA-N -1 0 322.369 -0.061 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC(=O)[N-]OCc2ccccc2)c1 ZINC000756043015 804144299 /nfs/dbraw/zinc/14/42/99/804144299.db2.gz XNCUUDRYGUFQCI-UHFFFAOYSA-N -1 0 324.362 -0.054 20 0 DBADRM CNC(=O)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000756258796 804147377 /nfs/dbraw/zinc/14/73/77/804147377.db2.gz JOFJVDJFXWLICF-UHFFFAOYSA-N -1 0 306.347 -0.302 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000756563412 804152080 /nfs/dbraw/zinc/15/20/80/804152080.db2.gz OQSSUSLOPLIKKY-UHFFFAOYSA-N -1 0 310.353 -0.391 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]1CCCO1 ZINC000757332757 804161220 /nfs/dbraw/zinc/16/12/20/804161220.db2.gz CMLMINANYQZOJI-GHMZBOCLSA-N -1 0 324.399 -0.490 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC000757329288 804161306 /nfs/dbraw/zinc/16/13/06/804161306.db2.gz GXCLDDOKVSDALN-SECBINFHSA-N -1 0 323.415 -0.524 20 0 DBADRM CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000757322253 804161713 /nfs/dbraw/zinc/16/17/13/804161713.db2.gz ZMIQOGPPJPKDEC-UHFFFAOYSA-N -1 0 304.372 -0.236 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc2nncn2c1 ZINC000757329410 804161936 /nfs/dbraw/zinc/16/19/36/804161936.db2.gz BMQKVHQJLLPDCQ-UHFFFAOYSA-N -1 0 313.339 -0.718 20 0 DBADRM COc1ccccc1N1CC[C@H](NC(=O)c2cc(=O)[nH][n-]2)C1=O ZINC000757440054 804163076 /nfs/dbraw/zinc/16/30/76/804163076.db2.gz YDMYIKYOTXWQPL-VIFPVBQESA-N -1 0 316.317 -0.207 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCc1nc(C)no1 ZINC000757334269 804163453 /nfs/dbraw/zinc/16/34/53/804163453.db2.gz XBXPSBYVPVYOOT-UHFFFAOYSA-N -1 0 306.344 -0.750 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)COC[C@@H]1CCCO1 ZINC000757335551 804163458 /nfs/dbraw/zinc/16/34/58/804163458.db2.gz RATQSPMYAZOXQP-JTQLQIEISA-N -1 0 310.372 -0.879 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCS(C)(=O)=O ZINC000758115114 804172667 /nfs/dbraw/zinc/17/26/67/804172667.db2.gz RWGQDRTYTUZUGM-UHFFFAOYSA-N -1 0 304.290 -0.396 20 0 DBADRM CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758570594 804190210 /nfs/dbraw/zinc/19/02/10/804190210.db2.gz ZZLRSCNILDVLCQ-UHFFFAOYSA-N -1 0 314.367 -0.024 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758563279 804190960 /nfs/dbraw/zinc/19/09/60/804190960.db2.gz ATPQCZZRECSDOI-UHFFFAOYSA-N -1 0 300.340 -0.556 20 0 DBADRM CCS(=O)(=O)N1CCC(CNC(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000758741032 804192995 /nfs/dbraw/zinc/19/29/95/804192995.db2.gz BRKAQSSUYKFCTP-UHFFFAOYSA-N -1 0 316.383 -0.960 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCCNS(C)(=O)=O ZINC000759112278 804199056 /nfs/dbraw/zinc/19/90/56/804199056.db2.gz RYEJPJVWPNJMTE-UHFFFAOYSA-N -1 0 320.289 -0.464 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000759167275 804200601 /nfs/dbraw/zinc/20/06/01/804200601.db2.gz PVZFMQSPIUKZOB-UHFFFAOYSA-N -1 0 318.326 -0.265 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCc1cccnc1 ZINC000759439780 804202884 /nfs/dbraw/zinc/20/28/84/804202884.db2.gz YZGNUDFVSRBKJV-UHFFFAOYSA-N -1 0 301.368 -0.047 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)NC3(C(N)=O)CC3)cc2[n-]c1=S ZINC000759608569 804205610 /nfs/dbraw/zinc/20/56/10/804205610.db2.gz MANKORGLJKRRPQ-UHFFFAOYSA-N -1 0 318.358 -0.030 20 0 DBADRM CO[C@](C)(C(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1F ZINC000759642894 804206718 /nfs/dbraw/zinc/20/67/18/804206718.db2.gz GYDIJQHURXNCTI-LBPRGKRZSA-N -1 0 318.326 -0.381 20 0 DBADRM CS(=O)(=O)N1CCN(CC(=O)[N-]O[C@@H]2CCCCO2)CC1 ZINC000759636279 804206792 /nfs/dbraw/zinc/20/67/92/804206792.db2.gz IEXJZYWZGLDVEV-GFCCVEGCSA-N -1 0 321.399 -0.862 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000759840120 804210516 /nfs/dbraw/zinc/21/05/16/804210516.db2.gz CLOOIHUDBIQEGD-MRVPVSSYSA-N -1 0 315.351 -0.190 20 0 DBADRM Cn1nccc1CCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000759917244 804211279 /nfs/dbraw/zinc/21/12/79/804211279.db2.gz KGTATZAVZQZYGD-UHFFFAOYSA-N -1 0 302.294 -0.409 20 0 DBADRM COC[C@@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C(N)=O ZINC000760078357 804219745 /nfs/dbraw/zinc/21/97/45/804219745.db2.gz JUFILVRWSKFSAQ-GFCCVEGCSA-N -1 0 318.333 -0.296 20 0 DBADRM CC(C)OC(=O)[C@H](C)N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000760116573 804220163 /nfs/dbraw/zinc/22/01/63/804220163.db2.gz ZEUGREHSIFKIPA-VIFPVBQESA-N -1 0 321.337 -0.130 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)c1cn(CC2(C)COC2)nn1 ZINC000760215567 804222917 /nfs/dbraw/zinc/22/29/17/804222917.db2.gz FTHXCEPRWNBELQ-UHFFFAOYSA-N -1 0 302.356 -0.216 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760234200 804223438 /nfs/dbraw/zinc/22/34/38/804223438.db2.gz JIFNAPYPZZOHHU-UHFFFAOYSA-N -1 0 318.317 -0.054 20 0 DBADRM COC[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)OC ZINC000760496208 804225597 /nfs/dbraw/zinc/22/55/97/804225597.db2.gz MKADKTKWPZSNPW-LURJTMIESA-N -1 0 314.260 -0.252 20 0 DBADRM COC[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)OC ZINC000760496211 804225612 /nfs/dbraw/zinc/22/56/12/804225612.db2.gz MKADKTKWPZSNPW-ZCFIWIBFSA-N -1 0 314.260 -0.252 20 0 DBADRM COC(=O)[C@@](C)(O)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760868493 804229738 /nfs/dbraw/zinc/22/97/38/804229738.db2.gz VNDWMVHZSSJWMJ-JTQLQIEISA-N -1 0 314.260 -0.516 20 0 DBADRM CCCC[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)OC ZINC000760977167 804230533 /nfs/dbraw/zinc/23/05/33/804230533.db2.gz WUMIFSBASRNUOA-JTQLQIEISA-N -1 0 321.337 -0.081 20 0 DBADRM COC(=O)[C@@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC000761127635 804235085 /nfs/dbraw/zinc/23/50/85/804235085.db2.gz IBMOHQFHEFLFFJ-JTQLQIEISA-N -1 0 306.278 -0.434 20 0 DBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)C(N)=O)c1F ZINC000761244741 804237312 /nfs/dbraw/zinc/23/73/12/804237312.db2.gz RUBHLZDSTJKOGU-LURJTMIESA-N -1 0 304.299 -0.016 20 0 DBADRM O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762126111 804244305 /nfs/dbraw/zinc/24/43/05/804244305.db2.gz CAHYCTWGSMLMLZ-GHMZBOCLSA-N -1 0 307.368 -0.336 20 0 DBADRM C[C@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000763017073 804260271 /nfs/dbraw/zinc/26/02/71/804260271.db2.gz XVTVOOLSBDZAFT-GXSJLCMTSA-N -1 0 304.368 -0.315 20 0 DBADRM COC(=O)[C@@](C)(O)CNC(=O)c1n[n-]c2ccccc2c1=O ZINC000763230612 804264232 /nfs/dbraw/zinc/26/42/32/804264232.db2.gz GMEDIRZUVQNMQB-AWEZNQCLSA-N -1 0 305.290 -0.011 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000763257720 804264920 /nfs/dbraw/zinc/26/49/20/804264920.db2.gz PUTGQZHFRYHYMQ-VIFPVBQESA-N -1 0 323.330 -0.112 20 0 DBADRM C[C@H]1CC[C@@H](CCC(=O)NCCC(=O)[N-]S(C)(=O)=O)O1 ZINC000763451025 804267439 /nfs/dbraw/zinc/26/74/39/804267439.db2.gz LLFPWQDCYWKFSZ-UWVGGRQHSA-N -1 0 306.384 -0.084 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnn2c1CCCC2 ZINC000763447342 804267533 /nfs/dbraw/zinc/26/75/33/804267533.db2.gz RKYVWNRIKPIKFC-UHFFFAOYSA-N -1 0 314.367 -0.585 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763447965 804267629 /nfs/dbraw/zinc/26/76/29/804267629.db2.gz TXSMDMCLQCDITI-QMMMGPOBSA-N -1 0 321.399 -0.881 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCOCC(F)(F)F ZINC000763458360 804268680 /nfs/dbraw/zinc/26/86/80/804268680.db2.gz PGPCLPMYQJGUTI-UHFFFAOYSA-N -1 0 320.289 -0.463 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763458478 804268871 /nfs/dbraw/zinc/26/88/71/804268871.db2.gz XQCOMFCLNOPHFP-UHFFFAOYSA-N -1 0 321.399 -0.879 20 0 DBADRM Cc1cn2ccnc(C(=O)[N-]S(=O)(=O)c3cnccn3)c2n1 ZINC000764009796 804277816 /nfs/dbraw/zinc/27/78/16/804277816.db2.gz KHYPGUUJXUPDRR-UHFFFAOYSA-N -1 0 318.318 -0.054 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000764212403 804280611 /nfs/dbraw/zinc/28/06/11/804280611.db2.gz WPINNDXDQMOVJR-WDEREUQCSA-N -1 0 320.411 -0.028 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000764214033 804280693 /nfs/dbraw/zinc/28/06/93/804280693.db2.gz AVKGFGXNOPLUQW-JTQLQIEISA-N -1 0 322.383 -0.894 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC000764216837 804280834 /nfs/dbraw/zinc/28/08/34/804280834.db2.gz KQKGNCAAXGGZIP-VIFPVBQESA-N -1 0 306.384 -0.226 20 0 DBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)C(C)C ZINC000764207929 804280857 /nfs/dbraw/zinc/28/08/57/804280857.db2.gz KYPLJAIRVDLTIY-KOLCDFICSA-N -1 0 324.399 -0.746 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC000764216991 804281715 /nfs/dbraw/zinc/28/17/15/804281715.db2.gz PEHXYGSORPHAIC-JOYOIKCWSA-N -1 0 306.384 -0.274 20 0 DBADRM CC(=O)NCC(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000764484800 804284009 /nfs/dbraw/zinc/28/40/09/804284009.db2.gz AGIQLEKQNUBNDE-UHFFFAOYSA-N -1 0 311.319 -0.312 20 0 DBADRM CCN1C(=O)N=NC1C1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000764641686 804285187 /nfs/dbraw/zinc/28/51/87/804285187.db2.gz LRRVZHININDLAA-UHFFFAOYSA-N -1 0 306.326 -0.415 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000764773260 804287819 /nfs/dbraw/zinc/28/78/19/804287819.db2.gz OTUVXOIROARQCY-JOYOIKCWSA-N -1 0 305.352 -0.188 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@]12CCOC2 ZINC000764773261 804288027 /nfs/dbraw/zinc/28/80/27/804288027.db2.gz OTUVXOIROARQCY-SKDRFNHKSA-N -1 0 305.352 -0.188 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CNC(C)=O)cc1OC ZINC000764753521 804288473 /nfs/dbraw/zinc/28/84/73/804288473.db2.gz BJXVIKOKZSKUNN-UHFFFAOYSA-N -1 0 316.335 -0.355 20 0 DBADRM CC(=O)NCC(=O)OCCOCC[N-]C(=O)C(F)(F)F ZINC000764796883 804288867 /nfs/dbraw/zinc/28/88/67/804288867.db2.gz TVKPZZVKUWUUMK-UHFFFAOYSA-N -1 0 300.233 -0.639 20 0 DBADRM CNC(=O)c1cc(OC)ccc1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000765484711 804301163 /nfs/dbraw/zinc/30/11/63/804301163.db2.gz AACXZDZDFWPQPK-UHFFFAOYSA-N -1 0 319.277 -0.097 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)OC(C)(C)C ZINC000765485095 804301603 /nfs/dbraw/zinc/30/16/03/804301603.db2.gz PXFFQMNXDSATKV-UHFFFAOYSA-N -1 0 313.314 -0.121 20 0 DBADRM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765652662 804305289 /nfs/dbraw/zinc/30/52/89/804305289.db2.gz VRKOVONPFMNTLH-NXEZZACHSA-N -1 0 317.367 -0.191 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C ZINC000765642273 804305299 /nfs/dbraw/zinc/30/52/99/804305299.db2.gz OHXMESVISBBVQO-UHFFFAOYSA-N -1 0 316.383 -0.223 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765663496 804305569 /nfs/dbraw/zinc/30/55/69/804305569.db2.gz RZBOLPKBFWEMGU-QMMMGPOBSA-N -1 0 316.383 -0.224 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765654673 804305959 /nfs/dbraw/zinc/30/59/59/804305959.db2.gz KIHGIMPCKMGCAY-JTQLQIEISA-N -1 0 316.383 -0.224 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)nnn2C ZINC000765654961 804305972 /nfs/dbraw/zinc/30/59/72/804305972.db2.gz BHYRDPYWPWKEPH-UHFFFAOYSA-N -1 0 320.334 -0.180 20 0 DBADRM O=C([N-]S(=O)(=O)CCCF)c1cccn2c(=O)[nH]nc12 ZINC000766276454 804314714 /nfs/dbraw/zinc/31/47/14/804314714.db2.gz KYUVBNBMGOFXMY-UHFFFAOYSA-N -1 0 302.287 -0.146 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)nn1 ZINC000766672598 804317544 /nfs/dbraw/zinc/31/75/44/804317544.db2.gz WVXDNZXWKUGWQL-SECBINFHSA-N -1 0 302.356 -0.216 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)N(C)CCOC)nn1 ZINC000766661112 804317924 /nfs/dbraw/zinc/31/79/24/804317924.db2.gz IUVHCQLBZSIDIN-UHFFFAOYSA-N -1 0 305.360 -0.759 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)[N-]OCC(F)(F)F ZINC000766763133 804318860 /nfs/dbraw/zinc/31/88/60/804318860.db2.gz AMWKWSZUCDUURO-UHFFFAOYSA-N -1 0 322.305 -0.059 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccnc2)CC1=O ZINC000766904151 804320542 /nfs/dbraw/zinc/32/05/42/804320542.db2.gz HTZROWHVPBLEJJ-NSHDSACASA-N -1 0 311.363 -0.104 20 0 DBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)CC1 ZINC000766858461 804320647 /nfs/dbraw/zinc/32/06/47/804320647.db2.gz REZOFSMCOSMKPU-VIFPVBQESA-N -1 0 305.352 -0.045 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(OCC(F)F)nc1 ZINC000766909681 804321159 /nfs/dbraw/zinc/32/11/59/804321159.db2.gz JOGJCTVDYPQEAV-UHFFFAOYSA-N -1 0 323.277 -0.730 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C1(c2ccccc2F)CC1 ZINC000766919288 804321685 /nfs/dbraw/zinc/32/16/85/804321685.db2.gz CKYDLRBKLDIFBZ-UHFFFAOYSA-N -1 0 300.311 -0.211 20 0 DBADRM C[C@H](Cc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766920586 804322055 /nfs/dbraw/zinc/32/20/55/804322055.db2.gz IHRBHYSUZLFWTI-MRVPVSSYSA-N -1 0 302.327 -0.064 20 0 DBADRM CC(C)[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)CCO1 ZINC000766924322 804322935 /nfs/dbraw/zinc/32/29/35/804322935.db2.gz FAOKTDTUZDWQDP-NXEZZACHSA-N -1 0 306.384 -0.241 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1c(Cl)nc2ccccn21 ZINC000766925634 804323022 /nfs/dbraw/zinc/32/30/22/804323022.db2.gz KOOFAZGHNKVFQL-UHFFFAOYSA-N -1 0 316.726 -0.467 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CSCc1ccc(F)cc1 ZINC000766925710 804323159 /nfs/dbraw/zinc/32/31/59/804323159.db2.gz CGSRSQVYKZYGGC-UHFFFAOYSA-N -1 0 320.367 -0.010 20 0 DBADRM Cc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766927856 804323345 /nfs/dbraw/zinc/32/33/45/804323345.db2.gz OEKGGVWEKGQYBQ-UHFFFAOYSA-N -1 0 312.347 -0.111 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCCOc1cccnc1 ZINC000766925047 804323376 /nfs/dbraw/zinc/32/33/76/804323376.db2.gz YCPITGGSXLNJTJ-UHFFFAOYSA-N -1 0 301.324 -0.828 20 0 DBADRM CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c(F)c1 ZINC000766926079 804323387 /nfs/dbraw/zinc/32/33/87/804323387.db2.gz FUSVJNBMKAPIPO-UHFFFAOYSA-N -1 0 302.283 -0.427 20 0 DBADRM C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)c1c(F)cccc1F ZINC000766929856 804324062 /nfs/dbraw/zinc/32/40/62/804324062.db2.gz UJKNDGLWHVXWCX-ZCFIWIBFSA-N -1 0 306.290 0.000 20 0 DBADRM CCN(CC(=O)[N-]S(=O)(=O)CC(N)=O)C(=O)OC(C)(C)C ZINC000766929813 804324250 /nfs/dbraw/zinc/32/42/50/804324250.db2.gz SJGMKSCTIIANGK-UHFFFAOYSA-N -1 0 323.371 -0.825 20 0 DBADRM C[C@H](Oc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766930143 804324569 /nfs/dbraw/zinc/32/45/69/804324569.db2.gz XIRQPHZKKAWHQS-ZETCQYMHSA-N -1 0 304.299 -0.476 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1cccn(C)c1=O ZINC000766968193 804325015 /nfs/dbraw/zinc/32/50/15/804325015.db2.gz NFPWURRIGAWESL-UHFFFAOYSA-N -1 0 302.352 -0.129 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000767075708 804326254 /nfs/dbraw/zinc/32/62/54/804326254.db2.gz VANONPWHHAGCNT-LLVKDONJSA-N -1 0 313.354 -0.612 20 0 DBADRM O=C(NCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1cccc(F)c1 ZINC001282895007 804329797 /nfs/dbraw/zinc/32/97/97/804329797.db2.gz YTJAGQQGZUWXHC-UHFFFAOYSA-N -1 0 321.268 -0.418 20 0 DBADRM O=C(C[C@@H]1C=CCC1)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001282905957 804334787 /nfs/dbraw/zinc/33/47/87/804334787.db2.gz VAIOTMLPNMKQRY-SECBINFHSA-N -1 0 309.326 -0.722 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1C ZINC000767836629 804334970 /nfs/dbraw/zinc/33/49/70/804334970.db2.gz HRYLGVROEFGZKY-UHFFFAOYSA-N -1 0 315.355 -0.393 20 0 DBADRM CN1C(=O)CN([N-]S(=O)(=O)c2cccc3nonc32)C1=O ZINC000767838603 804335087 /nfs/dbraw/zinc/33/50/87/804335087.db2.gz PEBYMVQCDAGZEJ-UHFFFAOYSA-N -1 0 311.279 -0.690 20 0 DBADRM CN1C(=O)CN([N-]S(=O)(=O)c2ccc3c(c2)COC3)C1=O ZINC000767844464 804335325 /nfs/dbraw/zinc/33/53/25/804335325.db2.gz UALWGRWWPHEMME-UHFFFAOYSA-N -1 0 311.319 -0.196 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cc(C)nn1C ZINC000768208308 804337457 /nfs/dbraw/zinc/33/74/57/804337457.db2.gz AOMDZQXUMGFFLS-UHFFFAOYSA-N -1 0 305.356 -0.549 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)CCc1cnn(C)c1 ZINC000768212622 804337670 /nfs/dbraw/zinc/33/76/70/804337670.db2.gz YJPLACZKUXRFLH-UHFFFAOYSA-N -1 0 319.383 -0.538 20 0 DBADRM Cn1nc(C(=O)[N-]N2CC(=O)N(C)C2=O)cc1OC(F)F ZINC000768379361 804338568 /nfs/dbraw/zinc/33/85/68/804338568.db2.gz RXAKRABFKRREGB-UHFFFAOYSA-N -1 0 303.225 -0.440 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H](C)CN1C ZINC000768846279 804342878 /nfs/dbraw/zinc/34/28/78/804342878.db2.gz PYALJQSKFPTKPG-ZJUUUORDSA-N -1 0 304.354 -0.378 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000769355287 804348592 /nfs/dbraw/zinc/34/85/92/804348592.db2.gz OCXVJFYXOJWDSG-KOLCDFICSA-N -1 0 307.306 -0.194 20 0 DBADRM Cn1nc(C(=O)NC[C@@](C)(O)C(=O)[O-])c2ccccc2c1=O ZINC000769747248 804352619 /nfs/dbraw/zinc/35/26/19/804352619.db2.gz YLRSFDYAGQXPAU-CQSZACIVSA-N -1 0 305.290 -0.501 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccc2nncn2c1 ZINC000770360960 804362477 /nfs/dbraw/zinc/36/24/77/804362477.db2.gz PGTAEPDAPXGECL-UHFFFAOYSA-N -1 0 312.307 -0.648 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001282973069 804364268 /nfs/dbraw/zinc/36/42/68/804364268.db2.gz DGPVWHJYWITPHW-JTQLQIEISA-N -1 0 323.353 -0.719 20 0 DBADRM COc1nc(C(=O)OCCCN2C(=O)CNC2=O)cc(=O)[n-]1 ZINC000770520492 804364876 /nfs/dbraw/zinc/36/48/76/804364876.db2.gz XTGNFMJPEAVZGG-UHFFFAOYSA-N -1 0 310.266 -0.711 20 0 DBADRM COc1nc(C(=O)OCCN2C(=O)NC(C)(C)C2=O)cc(=O)[n-]1 ZINC000770520299 804365246 /nfs/dbraw/zinc/36/52/46/804365246.db2.gz STDVZOVVDZECEC-UHFFFAOYSA-N -1 0 324.293 -0.322 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CCSCC(=O)OC ZINC000770617608 804366975 /nfs/dbraw/zinc/36/69/75/804366975.db2.gz BDLVEHAAAPRYOQ-UHFFFAOYSA-N -1 0 312.413 -0.015 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC000770612624 804366992 /nfs/dbraw/zinc/36/69/92/804366992.db2.gz CGBOOIXFUOCUBQ-LLVKDONJSA-N -1 0 305.400 -0.052 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)Sc1nncn1C ZINC000770613408 804367281 /nfs/dbraw/zinc/36/72/81/804367281.db2.gz HGZRCEUUYMTJCP-QMMMGPOBSA-N -1 0 321.428 -0.002 20 0 DBADRM CC(C)(CO)CCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000771036109 804372679 /nfs/dbraw/zinc/37/26/79/804372679.db2.gz FBWDHEOXIDQMHO-UHFFFAOYSA-N -1 0 307.354 -0.014 20 0 DBADRM C[C@@H]1[C@H](C)N(C)CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000771399365 804375056 /nfs/dbraw/zinc/37/50/56/804375056.db2.gz VACJEPOFQZCMKU-VHSXEESVSA-N -1 0 304.354 -0.378 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCO2)cc1C(N)=O ZINC000772547997 804390098 /nfs/dbraw/zinc/39/00/98/804390098.db2.gz OXEVOXPOTGTOAB-SNVBAGLBSA-N -1 0 315.351 -0.502 20 0 DBADRM Cc1cc(=O)c(C(=O)[N-]OCC(N)=O)nn1-c1ccccc1 ZINC000772924689 804393702 /nfs/dbraw/zinc/39/37/02/804393702.db2.gz GHHYVDSFGYTRJC-UHFFFAOYSA-N -1 0 302.290 -0.312 20 0 DBADRM NC(=O)CO[N-]C(=O)CNC(=O)c1ccccc1C(F)(F)F ZINC000772932361 804394305 /nfs/dbraw/zinc/39/43/05/804394305.db2.gz DNZXKZPWLAKGGZ-UHFFFAOYSA-N -1 0 319.239 -0.032 20 0 DBADRM NC(=O)CO[N-]C(=O)CNC(=O)c1cc(-c2ccccc2)on1 ZINC000772935278 804394581 /nfs/dbraw/zinc/39/45/81/804394581.db2.gz FRYZULKVQSKIIE-UHFFFAOYSA-N -1 0 318.289 -0.396 20 0 DBADRM Cc1cc(=O)c(C(=O)[N-]OCC(N)=O)nn1-c1ccccc1F ZINC000772940720 804394594 /nfs/dbraw/zinc/39/45/94/804394594.db2.gz RQERJIKZDHTHFH-UHFFFAOYSA-N -1 0 320.280 -0.173 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCN(C(=O)CC)C1 ZINC000772995143 804394950 /nfs/dbraw/zinc/39/49/50/804394950.db2.gz DQPCJTFNIPKGLR-JTQLQIEISA-N -1 0 305.400 -0.052 20 0 DBADRM NC(=O)CO[N-]C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000772949891 804395539 /nfs/dbraw/zinc/39/55/39/804395539.db2.gz YGDHYNKYGJLFIU-UHFFFAOYSA-N -1 0 306.727 -0.353 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000773155511 804396575 /nfs/dbraw/zinc/39/65/75/804396575.db2.gz WLKDYJBVVWORSP-QMMMGPOBSA-N -1 0 312.399 -0.022 20 0 DBADRM Cn1ccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)cc1=O ZINC000773157857 804396934 /nfs/dbraw/zinc/39/69/34/804396934.db2.gz LVJFOEHOQUAYLZ-SECBINFHSA-N -1 0 306.351 -0.171 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000773617550 804405198 /nfs/dbraw/zinc/40/51/98/804405198.db2.gz GDARFAYZUPTCBV-UHFFFAOYSA-N -1 0 321.333 -0.005 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cnc2c(C)cccn2c1=O ZINC000773778072 804407221 /nfs/dbraw/zinc/40/72/21/804407221.db2.gz CDZZEXVQHGDXGE-UHFFFAOYSA-N -1 0 324.362 -0.071 20 0 DBADRM CC(=O)C[C@H]1COCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000773880691 804408069 /nfs/dbraw/zinc/40/80/69/804408069.db2.gz GOQNFAHZMAGDLQ-JTQLQIEISA-N -1 0 319.321 -0.722 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C1=O ZINC000773940954 804409844 /nfs/dbraw/zinc/40/98/44/804409844.db2.gz KGASEQXGRLWROS-SECBINFHSA-N -1 0 314.367 -0.680 20 0 DBADRM CCOc1nc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)co1 ZINC000773962575 804411261 /nfs/dbraw/zinc/41/12/61/804411261.db2.gz WMVGLSXNJQMTMW-UHFFFAOYSA-N -1 0 300.296 -0.075 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CN(C)[C@H]1CCSC1 ZINC000774084875 804413264 /nfs/dbraw/zinc/41/32/64/804413264.db2.gz AQEGLKVEFSRIGX-UWVGGRQHSA-N -1 0 310.441 -0.095 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)Cn2ccc(C)cc2=O)cn1 ZINC000774132161 804415237 /nfs/dbraw/zinc/41/52/37/804415237.db2.gz QRDGCYRMXQLXLJ-UHFFFAOYSA-N -1 0 324.362 -0.122 20 0 DBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)c(=O)c1 ZINC000774164741 804416648 /nfs/dbraw/zinc/41/66/48/804416648.db2.gz XESNIJGBSPJDMJ-LLVKDONJSA-N -1 0 314.363 -0.361 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)nc1C ZINC000774278303 804420314 /nfs/dbraw/zinc/42/03/14/804420314.db2.gz AYEDAHOZHZPYPL-VIFPVBQESA-N -1 0 314.367 -0.505 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccnn2C)cn1 ZINC000774267370 804420648 /nfs/dbraw/zinc/42/06/48/804420648.db2.gz VZXBTCGGICKSAS-UHFFFAOYSA-N -1 0 310.335 -0.129 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)[N-]S(=O)(=O)C1CCC1 ZINC000774294983 804420744 /nfs/dbraw/zinc/42/07/44/804420744.db2.gz YPPDGIAIWOHIAN-UHFFFAOYSA-N -1 0 303.340 -0.683 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCCCN1CCCC1=O ZINC000774467785 804422685 /nfs/dbraw/zinc/42/26/85/804422685.db2.gz VYDMLNYNRSWGHV-UHFFFAOYSA-N -1 0 301.343 -0.801 20 0 DBADRM Cc1cc(N2CCC[C@H](NC(=O)c3cc(=O)[nH][n-]3)C2)n(C)n1 ZINC000774485982 804424179 /nfs/dbraw/zinc/42/41/79/804424179.db2.gz HSMOQVDPCRYUGU-JTQLQIEISA-N -1 0 304.354 -0.311 20 0 DBADRM CCOC1CC(CNC(=O)c2cc(=O)[nH][n-]2)(N2CCOCC2)C1 ZINC000774510693 804424254 /nfs/dbraw/zinc/42/42/54/804424254.db2.gz ZECYXXZRJKBQTM-UHFFFAOYSA-N -1 0 324.381 -0.752 20 0 DBADRM O=C(C[C@@H]1C[C@H]1C1CC1)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001283135272 804426684 /nfs/dbraw/zinc/42/66/84/804426684.db2.gz NAAHJEOKBBYJQS-UWVGGRQHSA-N -1 0 323.353 -0.642 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)[C@]12C[C@H]1CCCC2 ZINC001283134640 804426864 /nfs/dbraw/zinc/42/68/64/804426864.db2.gz FONJAKCLFFIAHC-YMTOWFKASA-N -1 0 323.353 -0.498 20 0 DBADRM CCC[C@H](CC)C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001283135590 804427628 /nfs/dbraw/zinc/42/76/28/804427628.db2.gz PYODRADSFHYZOH-VIFPVBQESA-N -1 0 313.358 -0.252 20 0 DBADRM O=C(Cn1nnc2ccccc2c1=O)OCc1n[nH]c(=O)[n-]1 ZINC000774897732 804432774 /nfs/dbraw/zinc/43/27/74/804432774.db2.gz RIPVXTVMUVLTCV-UHFFFAOYSA-N -1 0 302.250 -0.641 20 0 DBADRM CNS(=O)(=O)c1c[nH]c(C(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000774918922 804434308 /nfs/dbraw/zinc/43/43/08/804434308.db2.gz NCRPKBRVCBQLMB-UHFFFAOYSA-N -1 0 301.284 -0.897 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000774918324 804434328 /nfs/dbraw/zinc/43/43/28/804434328.db2.gz KDPMTWJQJNCAHH-UHFFFAOYSA-N -1 0 315.311 -0.554 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)OCc2n[nH]c(=O)[n-]2)c(C)o1 ZINC000774967105 804435885 /nfs/dbraw/zinc/43/58/85/804435885.db2.gz KPQGWORSSXWXSF-UHFFFAOYSA-N -1 0 316.295 -0.323 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)c(F)c1 ZINC000775011014 804436989 /nfs/dbraw/zinc/43/69/89/804436989.db2.gz FXFCWQAHBGENPL-UHFFFAOYSA-N -1 0 316.270 -0.346 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)nnn1C ZINC000775310843 804440512 /nfs/dbraw/zinc/44/05/12/804440512.db2.gz OKRAJPHBPKVVGU-UHFFFAOYSA-N -1 0 324.318 -0.029 20 0 DBADRM O=C(CCc1nnc[nH]1)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000775312168 804440957 /nfs/dbraw/zinc/44/09/57/804440957.db2.gz AWNBEGCLIHGFAW-UHFFFAOYSA-N -1 0 324.318 -0.029 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCNC(=O)[C@H]1CC=CCC1 ZINC001283179241 804441025 /nfs/dbraw/zinc/44/10/25/804441025.db2.gz IRCNIDOJRIARQF-JTQLQIEISA-N -1 0 323.353 -0.332 20 0 DBADRM CS(=O)(=O)N1CCN(CC(=O)[N-]OC2CCCC2)CC1 ZINC000775601565 804444805 /nfs/dbraw/zinc/44/48/05/804444805.db2.gz VFBCNBOTLPKOND-UHFFFAOYSA-N -1 0 305.400 -0.446 20 0 DBADRM CS[C@@H](C)C(=O)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001283190412 804446026 /nfs/dbraw/zinc/44/60/26/804446026.db2.gz IKJTXPDGQJYLSH-ZETCQYMHSA-N -1 0 317.371 -0.937 20 0 DBADRM CCOCCO[N-]C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000776265223 804452951 /nfs/dbraw/zinc/45/29/51/804452951.db2.gz UYNSHKXHEREGNG-UHFFFAOYSA-N -1 0 318.351 -0.203 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCS(=O)(=O)c2ccccc2C1 ZINC000776294626 804454302 /nfs/dbraw/zinc/45/43/02/804454302.db2.gz GIQVDXXUYZNFAP-UHFFFAOYSA-N -1 0 307.331 -0.322 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1C ZINC000776307904 804454592 /nfs/dbraw/zinc/45/45/92/804454592.db2.gz YCQJMJFUOYKNII-VXNVDRBHSA-N -1 0 317.367 -0.014 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)C[C@H]1CCOC1)C1CCOCC1 ZINC000776523465 804456714 /nfs/dbraw/zinc/45/67/14/804456714.db2.gz CHCFQZWMUQGBEH-ONGXEEELSA-N -1 0 307.368 -0.178 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)N1CCOCC1)C1CCOCC1 ZINC000776524754 804457306 /nfs/dbraw/zinc/45/73/06/804457306.db2.gz IPTONZPEYOKUES-SNVBAGLBSA-N -1 0 308.356 -0.967 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)c1Cl ZINC000776502545 804457350 /nfs/dbraw/zinc/45/73/50/804457350.db2.gz GOLDIONTQQJXNU-BQBZGAKWSA-N -1 0 323.758 -0.159 20 0 DBADRM C[C@H](CCCCC(=O)[O-])NS(=O)(=O)CCS(C)(=O)=O ZINC000776561529 804458576 /nfs/dbraw/zinc/45/85/76/804458576.db2.gz NNZZJABJPJACCR-SECBINFHSA-N -1 0 315.413 -0.016 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCSC[C@H]2c2nnn[n-]2)CC1=O ZINC000776562316 804458830 /nfs/dbraw/zinc/45/88/30/804458830.db2.gz BVNFZLLZUKTAAR-BDAKNGLRSA-N -1 0 310.383 -0.315 20 0 DBADRM COCCN(CCOC)S(=O)(=O)NCC[C@@H](C)C(=O)[O-] ZINC000776589247 804459288 /nfs/dbraw/zinc/45/92/88/804459288.db2.gz IBEDFWGNDCDODI-SNVBAGLBSA-N -1 0 312.388 -0.474 20 0 DBADRM NC(=O)[C@H]1CC(C(=O)[N-]OCCO)=NN1c1ccc(F)cc1 ZINC000776582019 804459483 /nfs/dbraw/zinc/45/94/83/804459483.db2.gz OAKAKZRKNGNXMH-LLVKDONJSA-N -1 0 310.285 -0.714 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)NCCOCC(=O)[O-] ZINC000776584120 804459638 /nfs/dbraw/zinc/45/96/38/804459638.db2.gz PELQZDFHRKWBHX-UHFFFAOYSA-N -1 0 311.747 -0.239 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC000776589227 804459690 /nfs/dbraw/zinc/45/96/90/804459690.db2.gz UUDYAEKOIMKKNK-NSHDSACASA-N -1 0 322.383 -0.246 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)c1c[nH]cn1)[C@@H](O)c1ccccc1 ZINC000776600877 804460354 /nfs/dbraw/zinc/46/03/54/804460354.db2.gz VMTWFYFTQQBSCE-QWRGUYRKSA-N -1 0 311.319 -0.125 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)NC1CC1)[C@@H](O)c1ccccc1 ZINC000776603256 804460410 /nfs/dbraw/zinc/46/04/10/804460410.db2.gz OLFIUCKDQBILBN-MNOVXSKESA-N -1 0 300.336 -0.240 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)NC1CC1)[C@H](O)c1ccccc1 ZINC000776603260 804460860 /nfs/dbraw/zinc/46/08/60/804460860.db2.gz OLFIUCKDQBILBN-WDEREUQCSA-N -1 0 300.336 -0.240 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000776684352 804461901 /nfs/dbraw/zinc/46/19/01/804461901.db2.gz VWIFDGZZIPQXEX-UHFFFAOYSA-N -1 0 315.303 -0.575 20 0 DBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N(C)C1CCOCC1 ZINC000776714923 804461957 /nfs/dbraw/zinc/46/19/57/804461957.db2.gz OREZIXSCFNVUSD-JTQLQIEISA-N -1 0 324.399 -0.237 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cnc(C)nc1C ZINC000777329005 804469433 /nfs/dbraw/zinc/46/94/33/804469433.db2.gz GSOPKTXRBHVJQA-UHFFFAOYSA-N -1 0 317.367 -0.184 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)[N-]OCCC(F)(F)F ZINC000777972951 804477586 /nfs/dbraw/zinc/47/75/86/804477586.db2.gz JMFKPSOLZBLURH-UHFFFAOYSA-N -1 0 322.305 -0.058 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000777949749 804477856 /nfs/dbraw/zinc/47/78/56/804477856.db2.gz JFCSVNYZTFKLJA-XVKPBYJWSA-N -1 0 315.351 -0.013 20 0 DBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1(C(N)=O)CCCC1 ZINC000778393964 804483152 /nfs/dbraw/zinc/48/31/52/804483152.db2.gz BYVVTUSIWAIPQJ-UHFFFAOYSA-N -1 0 318.337 -0.672 20 0 DBADRM CN1CCC[C@@H](OC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1=O ZINC000778800198 804489125 /nfs/dbraw/zinc/48/91/25/804489125.db2.gz HBQNFELRLDYBEV-SECBINFHSA-N -1 0 305.294 -0.765 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)C2(C)COC2)c(C)nn1C ZINC000778845378 804490106 /nfs/dbraw/zinc/49/01/06/804490106.db2.gz VRUXHKYJUYRWGA-UHFFFAOYSA-N -1 0 303.340 -0.421 20 0 DBADRM O=C(CN1CCN2C(=O)NC(=O)[C@H]2C1)[N-]OCc1ccccc1 ZINC000778952599 804491765 /nfs/dbraw/zinc/49/17/65/804491765.db2.gz FEGWFWPUOQTSNT-GFCCVEGCSA-N -1 0 318.333 -0.530 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)[N-]OCCC(F)(F)F ZINC000779333964 804496688 /nfs/dbraw/zinc/49/66/88/804496688.db2.gz FWBBQORZPTUXHK-UHFFFAOYSA-N -1 0 322.305 -0.058 20 0 DBADRM C/C=C(/C)C(=O)N(C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001283386487 804497753 /nfs/dbraw/zinc/49/77/53/804497753.db2.gz BCABLQBZQSPFQW-OTOXVQDCSA-N -1 0 321.337 -0.078 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000779467359 804497815 /nfs/dbraw/zinc/49/78/15/804497815.db2.gz NMTQHTHQDGYEQI-UHFFFAOYSA-N -1 0 322.350 -0.794 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000780528871 804516434 /nfs/dbraw/zinc/51/64/34/804516434.db2.gz KTWDACFUDGTPTF-SNVBAGLBSA-N -1 0 311.342 -0.356 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)NCCOC[C@@H]1CCOC1 ZINC000780567225 804516490 /nfs/dbraw/zinc/51/64/90/804516490.db2.gz BYDIKQJHPWVGAX-MNOVXSKESA-N -1 0 302.327 -0.466 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NCCOC[C@H]1CCOC1 ZINC000780571750 804517618 /nfs/dbraw/zinc/51/76/18/804517618.db2.gz OQZUXBBHWYWVET-NSHDSACASA-N -1 0 304.343 -0.218 20 0 DBADRM O=C(CCCNC(=O)C1CC1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780623135 804517647 /nfs/dbraw/zinc/51/76/47/804517647.db2.gz FAMAASAPWVBPEG-NSHDSACASA-N -1 0 318.395 -0.082 20 0 DBADRM O=C(CCn1ccccc1=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780624026 804517691 /nfs/dbraw/zinc/51/76/91/804517691.db2.gz JRDUWXDOVPYMQQ-NSHDSACASA-N -1 0 314.363 -0.137 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NCCOC[C@@H]1CCCO1 ZINC000780578622 804517703 /nfs/dbraw/zinc/51/77/03/804517703.db2.gz XFRCCJXQZUPRLZ-NSHDSACASA-N -1 0 304.343 -0.075 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)C1 ZINC000780606755 804517784 /nfs/dbraw/zinc/51/77/84/804517784.db2.gz HYHSFVRSZVHUMF-DGCLKSJQSA-N -1 0 318.395 -0.130 20 0 DBADRM Cn1cc(CCC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)cn1 ZINC000780605229 804517881 /nfs/dbraw/zinc/51/78/81/804517881.db2.gz FZNIOAPMYYTGDM-LLVKDONJSA-N -1 0 301.368 -0.022 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780610635 804517940 /nfs/dbraw/zinc/51/79/40/804517940.db2.gz BDPPOZPBKJBYLH-VIFPVBQESA-N -1 0 315.351 -0.637 20 0 DBADRM O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780613545 804517979 /nfs/dbraw/zinc/51/79/79/804517979.db2.gz VFSGAQSPYOZCBO-GHMZBOCLSA-N -1 0 307.368 -0.193 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)N(CC(=O)[O-])C1CC1)CC2 ZINC000780657188 804518517 /nfs/dbraw/zinc/51/85/17/804518517.db2.gz SVUVNOGHAOVWQK-VIFPVBQESA-N -1 0 323.353 -0.002 20 0 DBADRM CN(C)c1nccc(CNC(=O)N2CCOC[C@H]2C(=O)[O-])n1 ZINC000780716052 804518725 /nfs/dbraw/zinc/51/87/25/804518725.db2.gz MMNUGKADQPGHQJ-JTQLQIEISA-N -1 0 309.326 -0.462 20 0 DBADRM CC(C)[C@@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000780694465 804518750 /nfs/dbraw/zinc/51/87/50/804518750.db2.gz BQQAETZGFXSYMI-NXEZZACHSA-N -1 0 321.399 -0.181 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)NC(C)(C)C(=O)[O-])CC2 ZINC000780658297 804519005 /nfs/dbraw/zinc/51/90/05/804519005.db2.gz VIWNIMBLYRHDPS-QMMMGPOBSA-N -1 0 311.342 -0.098 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC000780694166 804519112 /nfs/dbraw/zinc/51/91/12/804519112.db2.gz FPMKDZBYJIWUAO-UWVGGRQHSA-N -1 0 319.383 -0.474 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCN(C)C(=O)c2nc[nH]n2)c1[O-] ZINC001283523288 804520816 /nfs/dbraw/zinc/52/08/16/804520816.db2.gz ALKFISKXZHVBFN-UHFFFAOYSA-N -1 0 307.314 -0.566 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)c[nH]1 ZINC000781515078 804529835 /nfs/dbraw/zinc/52/98/35/804529835.db2.gz RENRMBCXYKRYEV-MRVPVSSYSA-N -1 0 301.324 -0.648 20 0 DBADRM O=C(CN1CCSC1=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781511639 804530094 /nfs/dbraw/zinc/53/00/94/804530094.db2.gz OLEPVDCMLIAKHL-MRVPVSSYSA-N -1 0 308.381 -0.220 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)nn1 ZINC000781519962 804531203 /nfs/dbraw/zinc/53/12/03/804531203.db2.gz ZXGIXYUTNYJERY-SECBINFHSA-N -1 0 302.356 -0.073 20 0 DBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000781726877 804533097 /nfs/dbraw/zinc/53/30/97/804533097.db2.gz WXWMZPLZISWFKN-MRVPVSSYSA-N -1 0 314.367 -0.377 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1noc2c1CCCC2 ZINC000781738962 804534329 /nfs/dbraw/zinc/53/43/29/804534329.db2.gz WVJSGXFWZURISB-UHFFFAOYSA-N -1 0 311.323 -0.199 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cnn2ccccc12 ZINC000781734123 804534588 /nfs/dbraw/zinc/53/45/88/804534588.db2.gz HRJTVABOZKDHDT-UHFFFAOYSA-N -1 0 306.307 -0.419 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)nnn1C ZINC000781729884 804534775 /nfs/dbraw/zinc/53/47/75/804534775.db2.gz SNZZRBJHLGCVPS-UHFFFAOYSA-N -1 0 324.366 -0.151 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)CCO1 ZINC000782044513 804539602 /nfs/dbraw/zinc/53/96/02/804539602.db2.gz ZCJXBYCTQHNEAR-NSHDSACASA-N -1 0 316.317 -0.078 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCCNC(=O)c2cnon2)c1[O-] ZINC001283628730 804543280 /nfs/dbraw/zinc/54/32/80/804543280.db2.gz ZDYYQPJAQDDOJX-UHFFFAOYSA-N -1 0 308.298 -0.301 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C)[nH]c(=O)c1 ZINC000782614676 804551716 /nfs/dbraw/zinc/55/17/16/804551716.db2.gz QFUFFXRFHLGLIR-UHFFFAOYSA-N -1 0 303.340 -0.352 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2(C)COC2)cc1 ZINC000782632330 804552809 /nfs/dbraw/zinc/55/28/09/804552809.db2.gz XFLFESCHPNKPCK-UHFFFAOYSA-N -1 0 312.347 -0.112 20 0 DBADRM O=C(N1CCO[C@H](c2nnn[n-]2)C1)C1(N2CCOCC2)CCC1 ZINC000782670489 804552956 /nfs/dbraw/zinc/55/29/56/804552956.db2.gz WMTCWDJSZNUYRX-NSHDSACASA-N -1 0 322.369 -0.646 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000783344696 804565558 /nfs/dbraw/zinc/56/55/58/804565558.db2.gz GDIXAEKQZNIZKV-NSHDSACASA-N -1 0 316.383 -0.224 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)[N-]N2CCCNC2=O)c(F)c1 ZINC000783600069 804567375 /nfs/dbraw/zinc/56/73/75/804567375.db2.gz KVKPCXYNCJXYET-UHFFFAOYSA-N -1 0 316.314 -0.467 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccn(CCOC)n1 ZINC000784527783 804582023 /nfs/dbraw/zinc/58/20/23/804582023.db2.gz YYRIGXXQWKHDKO-UHFFFAOYSA-N -1 0 320.371 -0.918 20 0 DBADRM O=C1NCCCN1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000784723817 804585516 /nfs/dbraw/zinc/58/55/16/804585516.db2.gz KBORLWPLBNZUJL-UHFFFAOYSA-N -1 0 323.338 -0.729 20 0 DBADRM CNS(=O)(=O)CCNC(=O)c1n[n-]c2ccccc2c1=O ZINC000784707944 804585824 /nfs/dbraw/zinc/58/58/24/804585824.db2.gz ZBJORQZXSHOIKT-UHFFFAOYSA-N -1 0 310.335 -0.386 20 0 DBADRM COc1nc(C(=O)OCCCS(=O)(=O)N(C)C)cc(=O)[n-]1 ZINC000784770196 804587071 /nfs/dbraw/zinc/58/70/71/804587071.db2.gz AKDXJMZXMPXAKT-UHFFFAOYSA-N -1 0 319.339 -0.371 20 0 DBADRM COC(=O)c1scc(C)c1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785387128 804597379 /nfs/dbraw/zinc/59/73/79/804597379.db2.gz XPTZGJUHSPSGJO-UHFFFAOYSA-N -1 0 315.307 -0.685 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000785385437 804597473 /nfs/dbraw/zinc/59/74/73/804597473.db2.gz VRPFNUOCRIOLND-UHFFFAOYSA-N -1 0 317.204 -0.520 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000785384211 804597645 /nfs/dbraw/zinc/59/76/45/804597645.db2.gz HSTVPLKODURQLL-SNVBAGLBSA-N -1 0 318.333 -0.465 20 0 DBADRM COc1cc(C)c(NC(=O)C(=O)[N-]OCC(N)=O)cc1OC ZINC000785386356 804597686 /nfs/dbraw/zinc/59/76/86/804597686.db2.gz UEZNDCSCIZKHII-UHFFFAOYSA-N -1 0 311.294 -0.516 20 0 DBADRM Cc1cc(NC(=O)C(=O)[N-]OCC(N)=O)nn1-c1ccccc1 ZINC000785387313 804598798 /nfs/dbraw/zinc/59/87/98/804598798.db2.gz COFOUDNSCAOQJJ-UHFFFAOYSA-N -1 0 317.305 -0.348 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1ccccc1 ZINC000786486537 804616061 /nfs/dbraw/zinc/61/60/61/804616061.db2.gz DVJNZDGSZQQMAT-LLVKDONJSA-N -1 0 311.363 -0.413 20 0 DBADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC000786648416 804619973 /nfs/dbraw/zinc/61/99/73/804619973.db2.gz PKIQEXAJFOGTIF-UHFFFAOYSA-N -1 0 324.362 -0.351 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000786945826 804625005 /nfs/dbraw/zinc/62/50/05/804625005.db2.gz NYDSWZHPZVEEMV-VHSXEESVSA-N -1 0 305.400 -0.021 20 0 DBADRM CC(C)n1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cn1 ZINC000786955104 804626369 /nfs/dbraw/zinc/62/63/69/804626369.db2.gz YJFOIOWNZIGHCP-UHFFFAOYSA-N -1 0 302.356 -0.229 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[N-]OCCO)cc1 ZINC000787294966 804632828 /nfs/dbraw/zinc/63/28/28/804632828.db2.gz YMYRPALJBUYKME-VIFPVBQESA-N -1 0 318.351 -0.598 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000787511020 804635178 /nfs/dbraw/zinc/63/51/78/804635178.db2.gz DBXPGWYINXOHNG-RKDXNWHRSA-N -1 0 319.321 -0.519 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1ccc(N(C)C)nc1 ZINC000787637396 804637939 /nfs/dbraw/zinc/63/79/39/804637939.db2.gz YOHASKWUFCWTQU-UHFFFAOYSA-N -1 0 310.354 -0.152 20 0 DBADRM CCOC(=O)c1n[nH]c(CNC(=O)CCCNC(=O)OC)n1 ZINC000787917046 804645305 /nfs/dbraw/zinc/64/53/05/804645305.db2.gz XPWBYTVOQBPATR-UHFFFAOYSA-N -1 0 313.314 -0.266 20 0 DBADRM CC(=O)C[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-] ZINC000787934320 804647015 /nfs/dbraw/zinc/64/70/15/804647015.db2.gz MUAPRFAWNQYTGY-ZCFIWIBFSA-N -1 0 309.731 -0.216 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])c1 ZINC000787932753 804647090 /nfs/dbraw/zinc/64/70/90/804647090.db2.gz DKAWHVVEMXCUIZ-QMMMGPOBSA-N -1 0 319.291 -0.223 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])c1 ZINC000787932752 804647269 /nfs/dbraw/zinc/64/72/69/804647269.db2.gz DKAWHVVEMXCUIZ-MRVPVSSYSA-N -1 0 319.291 -0.223 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])c[nH]1 ZINC000787934901 804647321 /nfs/dbraw/zinc/64/73/21/804647321.db2.gz RDIMLRKTRWXFLX-QMMMGPOBSA-N -1 0 318.307 -0.488 20 0 DBADRM CC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000787935202 804647440 /nfs/dbraw/zinc/64/74/40/804647440.db2.gz MWWKELPDVVMCLA-SNVBAGLBSA-N -1 0 314.319 -0.504 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnc2ccccc2n1 ZINC000788176132 804652851 /nfs/dbraw/zinc/65/28/51/804652851.db2.gz IZECVQLFHJHKIF-UHFFFAOYSA-N -1 0 322.346 -0.175 20 0 DBADRM CCc1onc(C)c1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000788175442 804653119 /nfs/dbraw/zinc/65/31/19/804653119.db2.gz BVTXDZRGXXZKPF-UHFFFAOYSA-N -1 0 303.340 -0.259 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC/C=C\C(=O)[O-])cn1C ZINC000788449319 804661604 /nfs/dbraw/zinc/66/16/04/804661604.db2.gz YDWLHVHWRHUTGD-ARJAWSKDSA-N -1 0 302.308 -0.269 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)[N-]OC[C@@H]1CCOC1 ZINC000788570051 804664312 /nfs/dbraw/zinc/66/43/12/804664312.db2.gz KMPMJWMNHQXEDI-SNVBAGLBSA-N -1 0 310.372 -0.973 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cn(C)c(Cl)n1)CC(=O)[O-] ZINC000788699030 804666440 /nfs/dbraw/zinc/66/64/40/804666440.db2.gz QKDPQNVBSAZVAU-LURJTMIESA-N -1 0 311.747 -0.159 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]N1CCCNC1=O ZINC000788916126 804667514 /nfs/dbraw/zinc/66/75/14/804667514.db2.gz JUIPDMIVDYCYGP-UHFFFAOYSA-N -1 0 317.327 -0.805 20 0 DBADRM O=C(c1cc2n[nH]nc2cc1F)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000789754756 804676130 /nfs/dbraw/zinc/67/61/30/804676130.db2.gz TVUVLUARNAUSSH-SNVBAGLBSA-N -1 0 318.272 -0.176 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000789827225 804677642 /nfs/dbraw/zinc/67/76/42/804677642.db2.gz OWCCPSCQDUGEEV-UHFFFAOYSA-N -1 0 323.305 -0.326 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCOCCO ZINC000789894230 804679106 /nfs/dbraw/zinc/67/91/06/804679106.db2.gz ONPOLVFMJGTYAD-QMMMGPOBSA-N -1 0 300.277 -0.185 20 0 DBADRM COc1ccc(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)nc1 ZINC000789938141 804680062 /nfs/dbraw/zinc/68/00/62/804680062.db2.gz MSLNUIDIBLMXMR-NSHDSACASA-N -1 0 304.310 -0.254 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(-n2cccn2)nc1 ZINC000790073339 804683219 /nfs/dbraw/zinc/68/32/19/804683219.db2.gz RYSLHGJOFPEMEU-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccnc(-n2ccnc2)c1 ZINC000790076210 804683283 /nfs/dbraw/zinc/68/32/83/804683283.db2.gz DJSHTSYZSGJSJX-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000790264589 804686790 /nfs/dbraw/zinc/68/67/90/804686790.db2.gz NAROTLAURYEEIY-LLVKDONJSA-N -1 0 323.353 -0.744 20 0 DBADRM COC[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H]1CCCO1 ZINC000790273542 804687366 /nfs/dbraw/zinc/68/73/66/804687366.db2.gz KIFVTDYFAPVNJT-QWRGUYRKSA-N -1 0 321.337 -0.619 20 0 DBADRM O=C(COC(=O)CN1CCOCC1=O)[N-]OCc1ccccc1 ZINC000790741466 804694556 /nfs/dbraw/zinc/69/45/56/804694556.db2.gz QNOUDZXKXJBOPK-UHFFFAOYSA-N -1 0 322.317 -0.364 20 0 DBADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000790782191 804695556 /nfs/dbraw/zinc/69/55/56/804695556.db2.gz WQJVQVUDFVTODE-SNVBAGLBSA-N -1 0 306.384 -0.273 20 0 DBADRM C[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H](C)S1=O ZINC000791177696 804698787 /nfs/dbraw/zinc/69/87/87/804698787.db2.gz QNMOHSUJZARWMY-UWVGGRQHSA-N -1 0 313.379 -0.705 20 0 DBADRM O=C(C[C@@H]1COCCN1C(=O)c1cc(=O)[nH][n-]1)c1ccco1 ZINC000791389258 804702561 /nfs/dbraw/zinc/70/25/61/804702561.db2.gz YVTRLFMZHKSKGG-SECBINFHSA-N -1 0 305.290 -0.044 20 0 DBADRM NC(=O)c1ccn(-c2ccccc2NC(=O)c2cc(=O)[nH][n-]2)n1 ZINC000791363566 804703204 /nfs/dbraw/zinc/70/32/04/804703204.db2.gz JWEDVQFVGSMVBG-UHFFFAOYSA-N -1 0 312.289 -0.214 20 0 DBADRM CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)nn1 ZINC000791821694 804708656 /nfs/dbraw/zinc/70/86/56/804708656.db2.gz WWKNVADTEQXXJM-UHFFFAOYSA-N -1 0 317.371 -0.660 20 0 DBADRM CCOc1nc(C)ccc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000791874063 804710104 /nfs/dbraw/zinc/71/01/04/804710104.db2.gz NYPBWWASGLKUFI-UHFFFAOYSA-N -1 0 301.324 -0.666 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCOCC(F)(F)C(F)F ZINC000791874118 804710343 /nfs/dbraw/zinc/71/03/43/804710343.db2.gz ZKRWUHXSHQWXRK-UHFFFAOYSA-N -1 0 324.252 -0.775 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)C(F)(F)C1CCOCC1 ZINC000791885557 804711177 /nfs/dbraw/zinc/71/11/77/804711177.db2.gz BDOXQSRUPCAUKU-UHFFFAOYSA-N -1 0 324.309 -0.318 20 0 DBADRM C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)c1nnnn1C1CC1 ZINC000791922626 804711284 /nfs/dbraw/zinc/71/12/84/804711284.db2.gz QVJWDHMKSNKCOG-LURJTMIESA-N -1 0 305.298 -0.702 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ncccc2F)C1=O ZINC000791935448 804712486 /nfs/dbraw/zinc/71/24/86/804712486.db2.gz QESGMCUWLXXQQH-ZETCQYMHSA-N -1 0 301.299 -0.496 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)COCc1ccnn1C ZINC000793138735 804725073 /nfs/dbraw/zinc/72/50/73/804725073.db2.gz ADTWBQNIAUGJFQ-UHFFFAOYSA-N -1 0 304.372 -0.362 20 0 DBADRM Cc1c(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCOCC2)cnn1C ZINC000793973529 804742705 /nfs/dbraw/zinc/74/27/05/804742705.db2.gz QCZHGKUKBBMKQA-LLVKDONJSA-N -1 0 317.367 -0.113 20 0 DBADRM CSCCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000794192672 804744534 /nfs/dbraw/zinc/74/45/34/804744534.db2.gz RJLOBLMLRIMEBF-QMMMGPOBSA-N -1 0 322.412 -0.502 20 0 DBADRM CNC(=O)C1(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CCC1 ZINC000794759583 804750832 /nfs/dbraw/zinc/75/08/32/804750832.db2.gz BMZJEVLKFZSSSO-ZUZCIYMTSA-N -1 0 310.350 -0.148 20 0 DBADRM CC(C)OCCO[N-]C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000795076049 804755530 /nfs/dbraw/zinc/75/55/30/804755530.db2.gz QZLDRRQKQYTAAY-UHFFFAOYSA-N -1 0 323.415 -0.964 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)c1Cl ZINC000795351728 804758149 /nfs/dbraw/zinc/75/81/49/804758149.db2.gz FDHWVPUECJJHCZ-UHFFFAOYSA-N -1 0 304.719 -0.304 20 0 DBADRM Cc1c(NC(=O)c2cc(=O)[nH][n-]2)cccc1N1C(=O)CNC1=O ZINC000796081114 804767317 /nfs/dbraw/zinc/76/73/17/804767317.db2.gz OBMNQUSFJVSXCY-UHFFFAOYSA-N -1 0 315.289 -0.134 20 0 DBADRM CCC(=O)NCCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001284766180 804769606 /nfs/dbraw/zinc/76/96/06/804769606.db2.gz LAIMIAKBNOWWRS-UHFFFAOYSA-N -1 0 313.358 -0.157 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000796263612 804770122 /nfs/dbraw/zinc/77/01/22/804770122.db2.gz ANYGYXDTAIPDKP-MNOVXSKESA-N -1 0 308.342 -0.499 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)[nH]1 ZINC000796865968 804773829 /nfs/dbraw/zinc/77/38/29/804773829.db2.gz WHDPBKYNGOEDHZ-UHFFFAOYSA-N -1 0 304.324 -0.103 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C[C@@H]1CCC(=O)[C@H]1C ZINC000796764170 804773856 /nfs/dbraw/zinc/77/38/56/804773856.db2.gz VKLFFKQANOWVTF-UWVGGRQHSA-N -1 0 306.384 -0.069 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000796805939 804773925 /nfs/dbraw/zinc/77/39/25/804773925.db2.gz SYZWHHNEIYFBAM-UHFFFAOYSA-N -1 0 313.379 -0.006 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccnn1-c1ccccc1 ZINC000796827320 804774073 /nfs/dbraw/zinc/77/40/73/804774073.db2.gz JIGQPJLKDUNKAJ-UHFFFAOYSA-N -1 0 308.319 -0.583 20 0 DBADRM COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)c1 ZINC000796867568 804774129 /nfs/dbraw/zinc/77/41/29/804774129.db2.gz CRKUZTRTYSYBAE-UHFFFAOYSA-N -1 0 310.291 -0.290 20 0 DBADRM C[C@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796873921 804774962 /nfs/dbraw/zinc/77/49/62/804774962.db2.gz UOJKERPKGUERFO-QMMMGPOBSA-N -1 0 314.367 -0.091 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)C1 ZINC000796882912 804775102 /nfs/dbraw/zinc/77/51/02/804775102.db2.gz KUUQGFWDRMVLPN-VIFPVBQESA-N -1 0 314.367 -0.137 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000796872686 804775111 /nfs/dbraw/zinc/77/51/11/804775111.db2.gz CNTKMBXCXQQRIO-UHFFFAOYSA-N -1 0 320.758 -0.141 20 0 DBADRM O=C(CCOC[C@H]1CCCO1)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796876073 804775194 /nfs/dbraw/zinc/77/51/94/804775194.db2.gz JHIOLGRBGRFWFT-SECBINFHSA-N -1 0 303.340 -0.200 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)COC(F)F)s1 ZINC000797017679 804776769 /nfs/dbraw/zinc/77/67/69/804776769.db2.gz PNGLBZGNYRVPGB-UHFFFAOYSA-N -1 0 314.291 -0.109 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000796996211 804776856 /nfs/dbraw/zinc/77/68/56/804776856.db2.gz GWNDJMKKFXQBGV-UHFFFAOYSA-N -1 0 320.758 -0.141 20 0 DBADRM Cn1ccc(CCC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)n1 ZINC000797049687 804776944 /nfs/dbraw/zinc/77/69/44/804776944.db2.gz RINRQVBMDIXNJQ-LLVKDONJSA-N -1 0 301.368 -0.022 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCNC(=O)NC)cn1 ZINC000796953390 804776970 /nfs/dbraw/zinc/77/69/70/804776970.db2.gz UGQNOORMWZDMGX-UHFFFAOYSA-N -1 0 303.344 -0.973 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)COCc1ncc(C)o1 ZINC000797020009 804777043 /nfs/dbraw/zinc/77/70/43/804777043.db2.gz IHDNBUSYHMVCEW-SECBINFHSA-N -1 0 306.340 -0.019 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)[nH]1 ZINC000797064523 804777426 /nfs/dbraw/zinc/77/74/26/804777426.db2.gz TZQHPJAAHPGXAO-ZCFIWIBFSA-N -1 0 318.307 -0.578 20 0 DBADRM COCc1ncc(C(=O)[N-]S(=O)(=O)N2CCOCC2)s1 ZINC000797070072 804777826 /nfs/dbraw/zinc/77/78/26/804777826.db2.gz JIYPAQQCGQWQNU-UHFFFAOYSA-N -1 0 321.380 -0.404 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000797162870 804777968 /nfs/dbraw/zinc/77/79/68/804777968.db2.gz ANEMRUSUAFNTLB-UHFFFAOYSA-N -1 0 306.369 -0.424 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)CCC(C)(C)OC ZINC000797169627 804778081 /nfs/dbraw/zinc/77/80/81/804778081.db2.gz MMVMNSTWSPXRFU-UHFFFAOYSA-N -1 0 309.388 -0.433 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn2ccccc12 ZINC000797281805 804778799 /nfs/dbraw/zinc/77/87/99/804778799.db2.gz NZLUYIKMGPBUGB-MRVPVSSYSA-N -1 0 311.319 -0.045 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000797273045 804779020 /nfs/dbraw/zinc/77/90/20/804779020.db2.gz BVPSTASKBWHJMY-RITPCOANSA-N -1 0 302.274 -0.104 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000797286472 804779834 /nfs/dbraw/zinc/77/98/34/804779834.db2.gz WWGAVDVQNBEDKN-YIZRAAEISA-N -1 0 320.367 -0.714 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]1CCCO1 ZINC000797288047 804779897 /nfs/dbraw/zinc/77/98/97/804779897.db2.gz SFTDQOSDXCBQDK-UTLUCORTSA-N -1 0 323.367 -0.422 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn2ccccc2n1 ZINC000797284881 804779923 /nfs/dbraw/zinc/77/99/23/804779923.db2.gz VOYPCOCUFYERGV-QMMMGPOBSA-N -1 0 311.319 -0.045 20 0 DBADRM CCc1ncncc1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000797303402 804780323 /nfs/dbraw/zinc/78/03/23/804780323.db2.gz XJFBNAOOTVWACW-ZETCQYMHSA-N -1 0 301.324 -0.340 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)CCC(C)C ZINC000797298533 804780515 /nfs/dbraw/zinc/78/05/15/804780515.db2.gz MWNGMGKXAXSSLC-VIFPVBQESA-N -1 0 322.383 -0.454 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCCCc1c[nH]nn1 ZINC000797300525 804780738 /nfs/dbraw/zinc/78/07/38/804780738.db2.gz QAZGBBUHDTVEJN-QMMMGPOBSA-N -1 0 318.355 -0.475 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)[nH]c(=O)c1 ZINC000797308525 804781042 /nfs/dbraw/zinc/78/10/42/804781042.db2.gz ZIIPYOWINFOTQX-ZETCQYMHSA-N -1 0 302.308 -0.283 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1ccnn1C ZINC000797307099 804781368 /nfs/dbraw/zinc/78/13/68/804781368.db2.gz WSBBMZRQTSWZKO-MRVPVSSYSA-N -1 0 303.340 -0.640 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000798168082 804786395 /nfs/dbraw/zinc/78/63/95/804786395.db2.gz ZPWDXXXMZPSBOD-ZWNOBZJWSA-N -1 0 315.370 -0.033 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000798201798 804786979 /nfs/dbraw/zinc/78/69/79/804786979.db2.gz YZHAMZRGGUMMFK-WEDXCCLWSA-N -1 0 305.352 -0.001 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1c(C)nn(C)c1C ZINC000798200578 804787185 /nfs/dbraw/zinc/78/71/85/804787185.db2.gz MJVOCTCYGYOEFZ-VIFPVBQESA-N -1 0 317.367 -0.413 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCCCCNC(C)=O ZINC000798199997 804787510 /nfs/dbraw/zinc/78/75/10/804787510.db2.gz JAGOPPYAHGQGKN-VIFPVBQESA-N -1 0 322.383 -0.310 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1cnn(C)c1 ZINC000798201633 804787569 /nfs/dbraw/zinc/78/75/69/804787569.db2.gz VPAIRBTWHOAFEA-MRVPVSSYSA-N -1 0 303.340 -0.640 20 0 DBADRM O=C(Nc1ccccc1)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000798269492 804788620 /nfs/dbraw/zinc/78/86/20/804788620.db2.gz DKTGDHPJJPTIEW-UHFFFAOYSA-N -1 0 316.321 -0.352 20 0 DBADRM O=C([N-]S(=O)(=O)CC1CC1)[C@H]1COCCN1CC(F)F ZINC000798830959 804802338 /nfs/dbraw/zinc/80/23/38/804802338.db2.gz XPGWYNHDIFZLHD-SECBINFHSA-N -1 0 312.338 -0.192 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](OC)c1cnn(C)c1 ZINC000798830186 804802479 /nfs/dbraw/zinc/80/24/79/804802479.db2.gz OIHXUPFKUXZMGC-SCZZXKLOSA-N -1 0 305.356 -0.412 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)F ZINC000798832716 804802505 /nfs/dbraw/zinc/80/25/05/804802505.db2.gz UJOPMVRRTPOFFA-QMMMGPOBSA-N -1 0 300.327 -0.192 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)F ZINC000798832715 804802615 /nfs/dbraw/zinc/80/26/15/804802615.db2.gz UJOPMVRRTPOFFA-MRVPVSSYSA-N -1 0 300.327 -0.192 20 0 DBADRM CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2cc(=O)[nH][n-]2)C1 ZINC000799198669 804807983 /nfs/dbraw/zinc/80/79/83/804807983.db2.gz KRKSJPBEKZWQIK-AWEZNQCLSA-N -1 0 311.338 -0.319 20 0 DBADRM O=C(C=C1CCC1)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001284958978 804810151 /nfs/dbraw/zinc/81/01/51/804810151.db2.gz GKZKRSVJQNLCAF-UHFFFAOYSA-N -1 0 319.321 -0.419 20 0 DBADRM C[C@@H]1CN(CCOC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCO1 ZINC000800163898 804822642 /nfs/dbraw/zinc/82/26/42/804822642.db2.gz CVIPMIIGWOZRGD-SNVBAGLBSA-N -1 0 321.337 -0.665 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1O[C@@H](C)C[C@H]1C ZINC000800400317 804824585 /nfs/dbraw/zinc/82/45/85/804824585.db2.gz ZSIXRJNADJAKTQ-OUAUKWLOSA-N -1 0 309.384 -0.091 20 0 DBADRM CCOc1nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)co1 ZINC000800548882 804825253 /nfs/dbraw/zinc/82/52/53/804825253.db2.gz BCLDAAKUCUDBGZ-UHFFFAOYSA-N -1 0 305.312 -0.731 20 0 DBADRM CC(C)(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1cccnc1 ZINC000800549980 804825337 /nfs/dbraw/zinc/82/53/37/804825337.db2.gz SRBSMSPRMRIIGV-UHFFFAOYSA-N -1 0 313.379 -0.059 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccnc(F)c1F ZINC000800550324 804825356 /nfs/dbraw/zinc/82/53/56/804825356.db2.gz WFJTXTHQDOIOTA-UHFFFAOYSA-N -1 0 307.278 -0.445 20 0 DBADRM CC(=O)CC(C)(C)CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800549734 804825523 /nfs/dbraw/zinc/82/55/23/804825523.db2.gz QKCIRCGVHKYULX-UHFFFAOYSA-N -1 0 306.384 -0.036 20 0 DBADRM CC(C)(C)OC(=O)CCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800551859 804826077 /nfs/dbraw/zinc/82/60/77/804826077.db2.gz DVKAYLVFAAIUOH-UHFFFAOYSA-N -1 0 322.383 -0.310 20 0 DBADRM COCc1cncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000800551923 804826629 /nfs/dbraw/zinc/82/66/29/804826629.db2.gz WJYAHJOVSKUALS-UHFFFAOYSA-N -1 0 315.351 -0.576 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1cncc(-n2ccnn2)c1 ZINC000802083478 804841642 /nfs/dbraw/zinc/84/16/42/804841642.db2.gz KSBGPSXZAMOXMI-NSHDSACASA-N -1 0 323.334 -0.489 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1coc(C2CCCC2)n1 ZINC000802130271 804842453 /nfs/dbraw/zinc/84/24/53/804842453.db2.gz OIQPBWGCDNIAKC-UHFFFAOYSA-N -1 0 301.324 -0.123 20 0 DBADRM Cc1cc(COCC(=O)[N-]S(=O)(=O)N2CCOCC2)on1 ZINC000802094993 804842939 /nfs/dbraw/zinc/84/29/39/804842939.db2.gz MKJIHBBGKIQHOB-UHFFFAOYSA-N -1 0 319.339 -0.807 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C(F)F ZINC000802114863 804843018 /nfs/dbraw/zinc/84/30/18/804843018.db2.gz NLHYMAIPHHKQQI-YUMQZZPRSA-N -1 0 301.311 -0.003 20 0 DBADRM Cc1cc(=O)c(COC(=O)[C@@H]2CCCN2S(C)(=O)=O)n[n-]1 ZINC000802171192 804843265 /nfs/dbraw/zinc/84/32/65/804843265.db2.gz FPAJWYYKOPDVHV-JTQLQIEISA-N -1 0 315.351 -0.042 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C1(C(=O)OC)CC1 ZINC000802167327 804843685 /nfs/dbraw/zinc/84/36/85/804843685.db2.gz MGSUKXHKRLDJCO-SFYZADRCSA-N -1 0 321.351 -0.417 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000802208196 804844166 /nfs/dbraw/zinc/84/41/66/804844166.db2.gz CMVKLMREYGDXJK-MRVPVSSYSA-N -1 0 314.367 -0.451 20 0 DBADRM O=C(Cn1ccccc1=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000802204929 804844472 /nfs/dbraw/zinc/84/44/72/804844472.db2.gz IRCFVDFBEJKSFK-UHFFFAOYSA-N -1 0 322.346 -0.504 20 0 DBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000802209222 804844524 /nfs/dbraw/zinc/84/45/24/804844524.db2.gz QHJJXQPFSNHJGV-UHFFFAOYSA-N -1 0 317.367 -0.313 20 0 DBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)s1 ZINC000802228426 804844800 /nfs/dbraw/zinc/84/48/00/804844800.db2.gz WAYZDHPUVVECNX-UHFFFAOYSA-N -1 0 301.353 -0.062 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)COCc1ncc(C)o1 ZINC000802815491 804848559 /nfs/dbraw/zinc/84/85/59/804848559.db2.gz AGUBBUAJOWRZPU-VIFPVBQESA-N -1 0 306.340 -0.019 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)CCC1 ZINC000802998504 804848960 /nfs/dbraw/zinc/84/89/60/804848960.db2.gz KRYVOGXHJLIPIN-JTQLQIEISA-N -1 0 318.395 -0.225 20 0 DBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)CCc1scnc1C ZINC000803026048 804849011 /nfs/dbraw/zinc/84/90/11/804849011.db2.gz AJICGUIIPCYZMQ-MRVPVSSYSA-N -1 0 319.408 -0.035 20 0 DBADRM COCCCOCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000803012235 804849266 /nfs/dbraw/zinc/84/92/66/804849266.db2.gz YBOMGIJFHGCTIK-NSHDSACASA-N -1 0 309.384 -0.088 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)C1=O ZINC000803006832 804849296 /nfs/dbraw/zinc/84/92/96/804849296.db2.gz NKURDRDCWKHXNS-VHSXEESVSA-N -1 0 304.368 -0.663 20 0 DBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)CCc1scnc1C ZINC000803023201 804849545 /nfs/dbraw/zinc/84/95/45/804849545.db2.gz VDXAJINVRZPPMX-UHFFFAOYSA-N -1 0 319.408 -0.082 20 0 DBADRM C/C=C(\C)C(=O)NCC1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001285237583 804849880 /nfs/dbraw/zinc/84/98/80/804849880.db2.gz MGGQTVGZFCOIRH-XVNBXDOJSA-N -1 0 321.337 -0.126 20 0 DBADRM Cn1ncc(C(=O)[N-]N2C(=O)N[C@@](C)(c3ccccc3)C2=O)n1 ZINC000803108337 804849956 /nfs/dbraw/zinc/84/99/56/804849956.db2.gz UOUYQDSLGAJCSA-AWEZNQCLSA-N -1 0 314.305 -0.073 20 0 DBADRM C/C=C(/C)C(=O)NCC1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001285237581 804850394 /nfs/dbraw/zinc/85/03/94/804850394.db2.gz MGGQTVGZFCOIRH-CLTKARDFSA-N -1 0 321.337 -0.126 20 0 DBADRM CCOC1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCCC1 ZINC000803181233 804850872 /nfs/dbraw/zinc/85/08/72/804850872.db2.gz GQEKPNWRUYOBRC-UHFFFAOYSA-N -1 0 306.384 -0.082 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)C(=O)[N-]OCCSC)C1 ZINC000804016650 804861487 /nfs/dbraw/zinc/86/14/87/804861487.db2.gz HHMASOKIHMEIKY-VIFPVBQESA-N -1 0 319.383 -0.256 20 0 DBADRM O=C(NCCCN1C(=O)c2ccccc2C1=O)c1cc(=O)[nH][n-]1 ZINC000804613713 804874290 /nfs/dbraw/zinc/87/42/90/804874290.db2.gz YYZVEQBARGBRAI-UHFFFAOYSA-N -1 0 314.301 -0.335 20 0 DBADRM COCCCO[N-]C(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000805043000 804882956 /nfs/dbraw/zinc/88/29/56/804882956.db2.gz LRQKFNBAONCUNO-LLVKDONJSA-N -1 0 301.343 -0.802 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)CCCOC(C)=O)CCOC1 ZINC000805033084 804882978 /nfs/dbraw/zinc/88/29/78/804882978.db2.gz FLTOYAPGDIXLBV-LLVKDONJSA-N -1 0 309.340 -0.809 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000805639117 804900548 /nfs/dbraw/zinc/90/05/48/804900548.db2.gz ANBRKBDEZMYGPM-LBPRGKRZSA-N -1 0 321.333 -0.398 20 0 DBADRM O=C(COCc1cccnc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000805888981 804905265 /nfs/dbraw/zinc/90/52/65/804905265.db2.gz XIDOYINERBFPAG-UHFFFAOYSA-N -1 0 315.351 -0.709 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CO[C@@H](C)c1nccn1C ZINC000805881667 804905348 /nfs/dbraw/zinc/90/53/48/804905348.db2.gz FNHYWXRHJDBUNZ-UWVGGRQHSA-N -1 0 319.383 -0.021 20 0 DBADRM CCOC(=O)C(C)(C)CC(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000805894463 804905444 /nfs/dbraw/zinc/90/54/44/804905444.db2.gz IFVZOVBQCIJDNF-UHFFFAOYSA-N -1 0 324.399 -0.095 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000806031303 804909576 /nfs/dbraw/zinc/90/95/76/804909576.db2.gz CWKFZVRWUOKGSR-VIFPVBQESA-N -1 0 324.424 -0.201 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)[C@@H]2CCCC23OCCO3)n[n-]1 ZINC000806696690 804922932 /nfs/dbraw/zinc/92/29/32/804922932.db2.gz DTBSJVVUQXZEEP-ZETCQYMHSA-N -1 0 316.339 -0.310 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001285600718 804924497 /nfs/dbraw/zinc/92/44/97/804924497.db2.gz XRVIDTFFSRXCIA-KHVQUVQLSA-N -1 0 321.337 -0.269 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000806993580 804927940 /nfs/dbraw/zinc/92/79/40/804927940.db2.gz CIXRWUYTCUNTQP-RXMQYKEDSA-N -1 0 307.232 -0.320 20 0 DBADRM CNC(=O)C[C@@H](NC(=O)C(=O)[N-]OCCOC)c1ccccc1 ZINC000807733488 804939510 /nfs/dbraw/zinc/93/95/10/804939510.db2.gz VRATVBOAHYLMJS-GFCCVEGCSA-N -1 0 323.349 -0.326 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000807675754 804939576 /nfs/dbraw/zinc/93/95/76/804939576.db2.gz JDUNJIAGQSVTOA-CYBMUJFWSA-N -1 0 307.350 -0.017 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1CC=CC1 ZINC001285716958 804950296 /nfs/dbraw/zinc/95/02/96/804950296.db2.gz BLKZXGQCGRCHJQ-VIFPVBQESA-N -1 0 320.349 -0.313 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccnn2C)C1=O ZINC000808310443 804958244 /nfs/dbraw/zinc/95/82/44/804958244.db2.gz QPVYQRXLQXIJGZ-SNVBAGLBSA-N -1 0 301.328 -0.666 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cnn(CCF)c2)cn1 ZINC000808978816 804966380 /nfs/dbraw/zinc/96/63/80/804966380.db2.gz RSJZAMUINNMPAG-UHFFFAOYSA-N -1 0 301.303 -0.295 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)nn1 ZINC000808995730 804967594 /nfs/dbraw/zinc/96/75/94/804967594.db2.gz VRJOHHOQSBOEJQ-UHFFFAOYSA-N -1 0 301.715 -0.018 20 0 DBADRM COc1cncc(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C)n1 ZINC000809036764 804969802 /nfs/dbraw/zinc/96/98/02/804969802.db2.gz VURANYFOXAJUEV-UHFFFAOYSA-N -1 0 311.323 -0.354 20 0 DBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000809036988 804970040 /nfs/dbraw/zinc/97/00/40/804970040.db2.gz GZGWKTXYACSVCJ-UHFFFAOYSA-N -1 0 305.356 -0.413 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)cc1 ZINC000809034890 804970180 /nfs/dbraw/zinc/97/01/80/804970180.db2.gz RBRMOJNFPOSELS-UHFFFAOYSA-N -1 0 322.346 -0.054 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCC[C@H]1C(=O)NC ZINC000809239632 804971454 /nfs/dbraw/zinc/97/14/54/804971454.db2.gz NUULNMRCCAYATO-ZJUUUORDSA-N -1 0 301.343 -0.898 20 0 DBADRM CC(C)=CC(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001285831876 804975361 /nfs/dbraw/zinc/97/53/61/804975361.db2.gz CFIFWDXMOOAUBL-QMMMGPOBSA-N -1 0 307.310 -0.420 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000809441064 804977236 /nfs/dbraw/zinc/97/72/36/804977236.db2.gz PRQHPWSISPFTFX-VHSXEESVSA-N -1 0 305.400 -0.768 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCc1ncnn1C(C)(C)C ZINC000809927675 804985868 /nfs/dbraw/zinc/98/58/68/804985868.db2.gz DTRMRAHUDXMKDF-UHFFFAOYSA-N -1 0 313.358 -0.266 20 0 DBADRM CC(C)=CC(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001285903377 804994877 /nfs/dbraw/zinc/99/48/77/804994877.db2.gz GXGOGLKIRPSUSY-UHFFFAOYSA-N -1 0 307.310 -0.372 20 0 DBADRM COCCO[N-]C(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC000810479800 804995637 /nfs/dbraw/zinc/99/56/37/804995637.db2.gz UWOZBUCIJBJCKQ-UHFFFAOYSA-N -1 0 306.315 -0.202 20 0 DBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)COC3)n1 ZINC000810656907 804996781 /nfs/dbraw/zinc/99/67/81/804996781.db2.gz OXHGGGHKUWALGL-UHFFFAOYSA-N -1 0 308.319 -0.036 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)cn1 ZINC000810609590 804997039 /nfs/dbraw/zinc/99/70/39/804997039.db2.gz CGLAMGJAQVFWCC-UHFFFAOYSA-N -1 0 311.323 -0.389 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cc1ncccc1OC ZINC000810625246 804997119 /nfs/dbraw/zinc/99/71/19/804997119.db2.gz BYHGLDQNFWUXIX-UHFFFAOYSA-N -1 0 317.367 -0.428 20 0 DBADRM CSCc1cccnc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000810668161 804997378 /nfs/dbraw/zinc/99/73/78/804997378.db2.gz MNRBLTNYBFWGAF-UHFFFAOYSA-N -1 0 303.365 -0.511 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1cc2n(n1)CCO2 ZINC000810678888 804997927 /nfs/dbraw/zinc/99/79/27/804997927.db2.gz ICJPWRVTXZPJQF-UHFFFAOYSA-N -1 0 303.340 -0.238 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ncn(C)n1 ZINC000810681193 804998476 /nfs/dbraw/zinc/99/84/76/804998476.db2.gz FRZGPCRSTFEKKA-BQBZGAKWSA-N -1 0 304.328 -0.928 20 0 DBADRM O=C([N-]S(=O)(=O)c1ncccc1F)c1cc2n(n1)CCO2 ZINC000810715397 804998575 /nfs/dbraw/zinc/99/85/75/804998575.db2.gz IGODPDTWPSLNMM-UHFFFAOYSA-N -1 0 312.282 -0.072 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000810828859 805000140 /nfs/dbraw/zinc/00/01/40/805000140.db2.gz OHKHBVGNTTYIAE-UHFFFAOYSA-N -1 0 304.328 -0.714 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CCc1ccncn1 ZINC000810829562 805000367 /nfs/dbraw/zinc/00/03/67/805000367.db2.gz CNHFFXHJFVYNCR-UHFFFAOYSA-N -1 0 311.323 -0.207 20 0 DBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000810826614 805000577 /nfs/dbraw/zinc/00/05/77/805000577.db2.gz DGNAYTRNLJFQND-UHFFFAOYSA-N -1 0 307.328 -0.577 20 0 DBADRM CCc1c(C(=O)[N-]S(=O)(=O)c2c(C)onc2N)cnn1C ZINC000810831703 805000777 /nfs/dbraw/zinc/00/07/77/805000777.db2.gz QIHZCRQZKUVOIJ-UHFFFAOYSA-N -1 0 313.339 -0.020 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)C2(COC)CC2)n1 ZINC000811152675 805005368 /nfs/dbraw/zinc/00/53/68/805005368.db2.gz LCSLWMGWYOJUHU-UHFFFAOYSA-N -1 0 317.367 -0.232 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)C1=CCOCC1 ZINC000811139213 805005414 /nfs/dbraw/zinc/00/54/14/805005414.db2.gz HUCHDOLVQVZALO-UHFFFAOYSA-N -1 0 305.352 -0.022 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)CCCNC(=O)C2CC2)CC1 ZINC000811155595 805005788 /nfs/dbraw/zinc/00/57/88/805005788.db2.gz FHHXZKNFJPWCPU-UHFFFAOYSA-N -1 0 318.395 -0.082 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)C1(COC)CC1 ZINC000811156414 805006157 /nfs/dbraw/zinc/00/61/57/805006157.db2.gz AMXZNOPPYPARDC-JTQLQIEISA-N -1 0 306.384 -0.668 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)C2(COC)CC2)nn1 ZINC000811159009 805006267 /nfs/dbraw/zinc/00/62/67/805006267.db2.gz KDPNAYHMTSOVNF-UHFFFAOYSA-N -1 0 302.356 -0.073 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)C2(OC)CCOCC2)CC1 ZINC000811159626 805006442 /nfs/dbraw/zinc/00/64/42/805006442.db2.gz UFWCALHPWXPZTO-UHFFFAOYSA-N -1 0 307.368 -0.193 20 0 DBADRM COC(=O)CCCO[N-]C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000811558673 805011059 /nfs/dbraw/zinc/01/10/59/805011059.db2.gz PVEFRGXWRSQDFM-SNVBAGLBSA-N -1 0 322.383 -0.894 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cn(C)nn1 ZINC000812273406 805016802 /nfs/dbraw/zinc/01/68/02/805016802.db2.gz XLPGKZSPCFOSDA-UHFFFAOYSA-N -1 0 314.327 -0.176 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H](CO)C1CCCC1 ZINC000812376617 805017539 /nfs/dbraw/zinc/01/75/39/805017539.db2.gz YBVKJXUFFWVSAP-LLVKDONJSA-N -1 0 305.338 -0.262 20 0 DBADRM COCC[C@@H](COC)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000812349043 805017687 /nfs/dbraw/zinc/01/76/87/805017687.db2.gz YMIBUYIKSKOAAI-VIFPVBQESA-N -1 0 309.326 -0.761 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H](CO)C1CCCC1 ZINC000812376618 805017873 /nfs/dbraw/zinc/01/78/73/805017873.db2.gz YBVKJXUFFWVSAP-NSHDSACASA-N -1 0 305.338 -0.262 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CCC1 ZINC000812448985 805019338 /nfs/dbraw/zinc/01/93/38/805019338.db2.gz GEOHHDBJZPXANZ-RKDXNWHRSA-N -1 0 321.351 -0.821 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC000812448970 805019988 /nfs/dbraw/zinc/01/99/88/805019988.db2.gz HGNQTFKNSZKVQC-SECBINFHSA-N -1 0 317.367 -0.013 20 0 DBADRM O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)c1cc(=O)[nH][n-]1 ZINC000812737495 805020169 /nfs/dbraw/zinc/02/01/69/805020169.db2.gz PCTXKUHEMGQQNU-QMMMGPOBSA-N -1 0 304.281 -0.077 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ncn(C(C)(C)C)n1 ZINC000813089003 805025816 /nfs/dbraw/zinc/02/58/16/805025816.db2.gz ISEDEMRZEXLYOV-UHFFFAOYSA-N -1 0 313.343 -0.720 20 0 DBADRM CC(C)(C)C[C@@H](O)CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000813534408 805029003 /nfs/dbraw/zinc/02/90/03/805029003.db2.gz SLUFAKLZOVHWNR-VIFPVBQESA-N -1 0 308.400 -0.244 20 0 DBADRM CC(C)(C)C[C@H](O)CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000813534407 805029141 /nfs/dbraw/zinc/02/91/41/805029141.db2.gz SLUFAKLZOVHWNR-SECBINFHSA-N -1 0 308.400 -0.244 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC000813943985 805035578 /nfs/dbraw/zinc/03/55/78/805035578.db2.gz JKIXTTXBBNBDRA-NEPJUHHUSA-N -1 0 317.411 -0.196 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C2CCCC2)CC1 ZINC000813946245 805036064 /nfs/dbraw/zinc/03/60/64/805036064.db2.gz WQQDFAMSUSKEAV-UHFFFAOYSA-N -1 0 303.384 -0.298 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCCO2)CC1 ZINC000813947360 805036927 /nfs/dbraw/zinc/03/69/27/805036927.db2.gz GOZAENQIECUSPL-GFCCVEGCSA-N -1 0 319.383 -0.919 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C(/C)C2CC2)CC1 ZINC000813947512 805037228 /nfs/dbraw/zinc/03/72/28/805037228.db2.gz MKTLGEQOJXJEAA-KTKRTIGZSA-N -1 0 315.395 -0.132 20 0 DBADRM COc1cncc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2C)n1 ZINC000813951621 805037658 /nfs/dbraw/zinc/03/76/58/805037658.db2.gz PVNROBOOSXAMPF-UHFFFAOYSA-N -1 0 311.323 -0.354 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000813989828 805038406 /nfs/dbraw/zinc/03/84/06/805038406.db2.gz UJGYWJZZQHJIGW-JTQLQIEISA-N -1 0 316.383 -0.746 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000813989090 805038942 /nfs/dbraw/zinc/03/89/42/805038942.db2.gz YTYBEOFOWCLRSM-QMMMGPOBSA-N -1 0 302.356 -0.552 20 0 DBADRM CC(C)=CC(=O)N[C@H](C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001286172411 805039992 /nfs/dbraw/zinc/03/99/92/805039992.db2.gz TVFTWPBNRNNSIY-SECBINFHSA-N -1 0 323.353 -0.381 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)n1 ZINC000815927003 805061194 /nfs/dbraw/zinc/06/11/94/805061194.db2.gz NHMDHVVAQSCDCW-UHFFFAOYSA-N -1 0 318.746 -0.196 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)OC)c1 ZINC000815948596 805062164 /nfs/dbraw/zinc/06/21/64/805062164.db2.gz OTEUEPBDAGQRFA-SSDOTTSWSA-N -1 0 304.324 -0.104 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)CCCC(=O)OC)n1 ZINC000815950075 805062197 /nfs/dbraw/zinc/06/21/97/805062197.db2.gz INPYHUJDXJZLIM-UHFFFAOYSA-N -1 0 304.328 -0.689 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c[nH]1 ZINC000815948498 805062285 /nfs/dbraw/zinc/06/22/85/805062285.db2.gz LXCBULHKARERJV-MRVPVSSYSA-N -1 0 302.308 -0.350 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)c[nH]1 ZINC000816015858 805064314 /nfs/dbraw/zinc/06/43/14/805064314.db2.gz XNVAIYQLTDQWEN-ZCFIWIBFSA-N -1 0 318.307 -0.578 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)n1 ZINC000816015717 805064390 /nfs/dbraw/zinc/06/43/90/805064390.db2.gz SUHKXELJKXYSLH-SSDOTTSWSA-N -1 0 304.328 -0.772 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2c(C)cnn2C)n1 ZINC000816094747 805065537 /nfs/dbraw/zinc/06/55/37/805065537.db2.gz DJPIJBPTTMBVBH-UHFFFAOYSA-N -1 0 312.355 -0.233 20 0 DBADRM CCC1(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)COC1 ZINC000816203864 805066746 /nfs/dbraw/zinc/06/67/46/805066746.db2.gz HGNVRZXIBRHLSM-UHFFFAOYSA-N -1 0 315.351 -0.103 20 0 DBADRM COCC1(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)CC1 ZINC000816207925 805066899 /nfs/dbraw/zinc/06/68/99/805066899.db2.gz SXSQULJPPMIXBX-UHFFFAOYSA-N -1 0 315.351 -0.103 20 0 DBADRM CCc1nc(C)c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)o1 ZINC000816448393 805069863 /nfs/dbraw/zinc/06/98/63/805069863.db2.gz BQJKYJKRROZQSQ-UHFFFAOYSA-N -1 0 303.340 -0.259 20 0 DBADRM CN1CC[C@@H](OC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1=O ZINC000816449473 805070466 /nfs/dbraw/zinc/07/04/66/805070466.db2.gz AIRUXJQBKAITLP-BDAKNGLRSA-N -1 0 306.384 -0.276 20 0 DBADRM C[C@@H](CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001287281378 805071286 /nfs/dbraw/zinc/07/12/86/805071286.db2.gz JCLGJQOEOXUOSL-HRDYMLBCSA-N -1 0 323.353 -0.047 20 0 DBADRM CO[C@H]1CCCC[C@@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000816450106 805071748 /nfs/dbraw/zinc/07/17/48/805071748.db2.gz NHHDVTRJAQCSRH-UWVGGRQHSA-N -1 0 306.384 -0.226 20 0 DBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nn1c(=O)[n-][nH]c1=O ZINC000816731289 805079053 /nfs/dbraw/zinc/07/90/53/805079053.db2.gz KYFWVHKKRCEHOI-UHFFFAOYSA-N -1 0 324.297 -0.986 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000816733241 805079222 /nfs/dbraw/zinc/07/92/22/805079222.db2.gz OCOGYGAYPJGUEH-VIFPVBQESA-N -1 0 324.341 -0.313 20 0 DBADRM C[C@H](CC(=O)Nn1c(=O)[n-][nH]c1=O)NC(=O)c1ccccc1 ZINC000816731973 805079247 /nfs/dbraw/zinc/07/92/47/805079247.db2.gz NEMPFMVYTZZTHW-MRVPVSSYSA-N -1 0 305.294 -0.032 20 0 DBADRM COCCCOc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)cn1 ZINC000816732356 805079983 /nfs/dbraw/zinc/07/99/83/805079983.db2.gz CZLIWOQULIZOAU-UHFFFAOYSA-N -1 0 309.282 -0.117 20 0 DBADRM Cn1c2ccccc2n(CCC(=O)Nn2c(=O)[n-][nH]c2=O)c1=O ZINC000816731784 805080007 /nfs/dbraw/zinc/08/00/07/805080007.db2.gz FFSMRBDCOTYSNP-UHFFFAOYSA-N -1 0 318.293 -0.497 20 0 DBADRM CCn1ncn([N-]C(=O)c2c(C)oc3ncn(C)c(=O)c32)c1=O ZINC000816738455 805080278 /nfs/dbraw/zinc/08/02/78/805080278.db2.gz CPRMRMQMEQEBQT-UHFFFAOYSA-N -1 0 318.293 -0.403 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc2c1OCC2 ZINC000817419720 805094069 /nfs/dbraw/zinc/09/40/69/805094069.db2.gz GDWZUKIERUCOCC-NXEZZACHSA-N -1 0 313.331 -0.170 20 0 DBADRM CS(=O)(=O)N1CCN(CC(=O)[N-]OCCC2CC2)CC1 ZINC000817393147 805094502 /nfs/dbraw/zinc/09/45/02/805094502.db2.gz IVRWATSKUVYINR-UHFFFAOYSA-N -1 0 305.400 -0.589 20 0 DBADRM COC(=O)c1[n-][nH]c(=O)c1C(=O)Nc1cc(OC)cc(OC)c1 ZINC000817571985 805094958 /nfs/dbraw/zinc/09/49/58/805094958.db2.gz XJIJXADRSVYHQQ-SNVBAGLBSA-N -1 0 321.289 -0.083 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1nn(C)c(C)c1Cl ZINC000817721659 805098032 /nfs/dbraw/zinc/09/80/32/805098032.db2.gz KZVLYFOSUGRGGD-UHFFFAOYSA-N -1 0 324.790 -0.065 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000818137450 805108556 /nfs/dbraw/zinc/10/85/56/805108556.db2.gz UCCAUOVRBODERK-ZDUSSCGKSA-N -1 0 314.345 -0.178 20 0 DBADRM Cc1cnn(CC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC000818315829 805110860 /nfs/dbraw/zinc/11/08/60/805110860.db2.gz JJRMYPUGRFTTMN-SNVBAGLBSA-N -1 0 304.310 -0.045 20 0 DBADRM COCCS(=O)(=O)CC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000818326107 805111143 /nfs/dbraw/zinc/11/11/43/805111143.db2.gz PPYXBHPFJQZNFL-JTQLQIEISA-N -1 0 309.384 -0.089 20 0 DBADRM CCOCCOCC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818317905 805111183 /nfs/dbraw/zinc/11/11/83/805111183.db2.gz NNBIOKVBIRFSPO-SNVBAGLBSA-N -1 0 312.326 -0.197 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)COC[C@H]3CCCO3)C2)nn1 ZINC000818316449 805111478 /nfs/dbraw/zinc/11/14/78/805111478.db2.gz DXYDDLQGOKWHJI-WDEREUQCSA-N -1 0 324.337 -0.055 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])CCS1 ZINC000884474820 807051146 /nfs/dbraw/zinc/05/11/46/807051146.db2.gz NAUKBRUGWBUPTO-VIFPVBQESA-N -1 0 304.368 -0.442 20 0 DBADRM C[C@H]1SCCN(C(=O)C(=O)NCCOCC(=O)[O-])[C@@H]1C ZINC000884476449 807051227 /nfs/dbraw/zinc/05/12/27/807051227.db2.gz QDARBNURWHMRGZ-RKDXNWHRSA-N -1 0 304.368 -0.444 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CC[C@H]2CSC[C@@H]2C1 ZINC000884478378 807051531 /nfs/dbraw/zinc/05/15/31/807051531.db2.gz ZFNOOUFGJVIYBH-UWVGGRQHSA-N -1 0 316.379 -0.585 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000818656374 805115345 /nfs/dbraw/zinc/11/53/45/805115345.db2.gz DHOHPKARUBJFCT-UHFFFAOYSA-N -1 0 315.370 -0.412 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H](C)N1C ZINC000818626259 805115617 /nfs/dbraw/zinc/11/56/17/805115617.db2.gz QVWSIMGVBWMPNZ-AOOOYVTPSA-N -1 0 304.354 -0.378 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000818658474 805116270 /nfs/dbraw/zinc/11/62/70/805116270.db2.gz YWVZETNVGHOZJJ-CQSZACIVSA-N -1 0 323.353 -0.454 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000819095102 805121104 /nfs/dbraw/zinc/12/11/04/805121104.db2.gz UEBLAGRYVVTZEB-JTQLQIEISA-N -1 0 321.742 -0.473 20 0 DBADRM CC(C)c1nc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)c[nH]1 ZINC000819094468 805121304 /nfs/dbraw/zinc/12/13/04/805121304.db2.gz LCSIWSTZQWRVAY-NSHDSACASA-N -1 0 303.340 -0.257 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)c1 ZINC000819094248 805121388 /nfs/dbraw/zinc/12/13/88/805121388.db2.gz IRZZMPBLWFAVTC-LLVKDONJSA-N -1 0 303.340 -0.326 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC000819093947 805121620 /nfs/dbraw/zinc/12/16/20/805121620.db2.gz CTZBFYTWUCJLHG-LBPRGKRZSA-N -1 0 317.367 -0.251 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)cn1 ZINC000819102146 805122558 /nfs/dbraw/zinc/12/25/58/805122558.db2.gz FAXTZZYCZUINOF-PSASIEDQSA-N -1 0 303.340 -0.422 20 0 DBADRM O=C([O-])C[C@]1(NS(=O)(=O)C[C@@H]2CCOC2)CCCOC1 ZINC000819107899 805122609 /nfs/dbraw/zinc/12/26/09/805122609.db2.gz QNBPKMKNRHYNTK-ZYHUDNBSSA-N -1 0 307.368 -0.034 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCC(OC)(C(=O)[O-])CC1 ZINC000819099549 805122643 /nfs/dbraw/zinc/12/26/43/805122643.db2.gz DGWAINBLZNTORU-VIFPVBQESA-N -1 0 323.367 -0.309 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC000819108082 805122939 /nfs/dbraw/zinc/12/29/39/805122939.db2.gz WCKUECJLAAEUMK-LLVKDONJSA-N -1 0 310.372 -0.577 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CC(=O)N(C)C1=O ZINC000819720921 805133841 /nfs/dbraw/zinc/13/38/41/805133841.db2.gz IPKRDWPBAUAJSI-SVRRBLITSA-N -1 0 323.271 -0.437 20 0 DBADRM C[C@@H]1C(=O)Nc2cc(C(=O)Nn3c(=O)[n-][nH]c3=O)ccc2N1C ZINC000820288392 805151594 /nfs/dbraw/zinc/15/15/94/805151594.db2.gz KWEAPBJYXYXGNM-ZCFIWIBFSA-N -1 0 318.293 -0.150 20 0 DBADRM CCn1ncn([N-]C(=O)c2csc(S(C)(=O)=O)c2)c1=O ZINC000820388540 805155165 /nfs/dbraw/zinc/15/51/65/805155165.db2.gz REQROQZQRWZMJF-UHFFFAOYSA-N -1 0 316.364 -0.086 20 0 DBADRM CN1CCN(C)[C@H](C[N-]S(=O)(=O)N=S2(=O)CCCC2)C1 ZINC000820790978 805166971 /nfs/dbraw/zinc/16/69/71/805166971.db2.gz CYDQPXYSESWUON-LLVKDONJSA-N -1 0 324.472 -0.672 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)C[C@H](C)n1cccn1 ZINC000821072156 805173199 /nfs/dbraw/zinc/17/31/99/805173199.db2.gz BOLMTKCXNNDFNZ-VIFPVBQESA-N -1 0 303.340 -0.157 20 0 DBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000821097651 805173316 /nfs/dbraw/zinc/17/33/16/805173316.db2.gz UXJYFCGMDUNFLL-UHFFFAOYSA-N -1 0 314.414 -0.439 20 0 DBADRM CCCNC(=O)CCNC(=O)Nc1nn(C)cc1-c1nn[nH]n1 ZINC000821114445 805174039 /nfs/dbraw/zinc/17/40/39/805174039.db2.gz SKEAHGNMKKKDPD-UHFFFAOYSA-N -1 0 321.345 -0.362 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)CC(C)(C)C)c1 ZINC000821261259 805176842 /nfs/dbraw/zinc/17/68/42/805176842.db2.gz QGBKTCRZASLNBN-WCBMZHEXSA-N -1 0 319.383 -0.051 20 0 DBADRM COc1cccnc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821903639 805192662 /nfs/dbraw/zinc/19/26/62/805192662.db2.gz INPPQCCQHGFFAO-UHFFFAOYSA-N -1 0 301.270 -0.500 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C1(Br)CC1 ZINC000822371065 805202274 /nfs/dbraw/zinc/20/22/74/805202274.db2.gz UOCDHZDVDFOZHC-UHFFFAOYSA-N -1 0 313.173 -0.504 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N[C@H](CO)[C@@H](C)O)c1 ZINC000822537292 805207352 /nfs/dbraw/zinc/20/73/52/805207352.db2.gz FPNMLUBIXQNENW-FRKIPOMISA-N -1 0 301.364 -0.339 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC001289430303 805220323 /nfs/dbraw/zinc/22/03/23/805220323.db2.gz SEEJOVGGOQTDBN-UHFFFAOYSA-N -1 0 300.336 -0.361 20 0 DBADRM C/C=C(\C)C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001290030035 805243357 /nfs/dbraw/zinc/24/33/57/805243357.db2.gz IDUVQMKBVALJAG-PMXLAWOHSA-N -1 0 323.353 -0.334 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CSCN1C(=O)OCC ZINC000824004423 805247071 /nfs/dbraw/zinc/24/70/71/805247071.db2.gz VISQFZDKDPFRKM-QMMMGPOBSA-N -1 0 305.356 -0.298 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC000824220662 805251360 /nfs/dbraw/zinc/25/13/60/805251360.db2.gz ZHEWTWVSCKWEOP-RNFRBKRXSA-N -1 0 311.260 -0.515 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCCN(CC(N)=O)CC1 ZINC000824287643 805254117 /nfs/dbraw/zinc/25/41/17/805254117.db2.gz ZFESRMNWNNMTOB-NSHDSACASA-N -1 0 314.386 -0.312 20 0 DBADRM COCc1cc(Cl)ccc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000824541234 805261066 /nfs/dbraw/zinc/26/10/66/805261066.db2.gz SBILQHPBWFGDSQ-UHFFFAOYSA-N -1 0 315.713 -0.042 20 0 DBADRM COC(=O)CCCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001292343697 805267811 /nfs/dbraw/zinc/26/78/11/805267811.db2.gz CHAMDLFPKZASRB-UHFFFAOYSA-N -1 0 300.315 -0.071 20 0 DBADRM CCC[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1nnn[n-]1 ZINC000825242592 805274065 /nfs/dbraw/zinc/27/40/65/805274065.db2.gz VUFACRFKHORZDW-ZETCQYMHSA-N -1 0 302.302 -0.021 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N(CC(=O)[O-])C1CC1)n1cccn1 ZINC000825972653 805289067 /nfs/dbraw/zinc/28/90/67/805289067.db2.gz ZVTWMYKRCHGLGY-JTQLQIEISA-N -1 0 308.338 -0.022 20 0 DBADRM CO[C@@H]1[C@H](C)[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1(C)C ZINC000826144211 805300668 /nfs/dbraw/zinc/30/06/68/805300668.db2.gz DRQJTIHMPFAZBM-FKTZTGRPSA-N -1 0 320.357 -0.366 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[nH]n3)c2)cn1 ZINC000826362176 805308164 /nfs/dbraw/zinc/30/81/64/805308164.db2.gz HAMJSCFISONJAJ-UHFFFAOYSA-N -1 0 322.310 -0.953 20 0 DBADRM O=C([N-]S(=O)(=O)CCCF)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826449601 805309357 /nfs/dbraw/zinc/30/93/57/805309357.db2.gz ANVPVVRSQLOHCC-UHFFFAOYSA-N -1 0 302.291 -0.386 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@H]2CCOC[C@H]2C)c1[O-] ZINC001292642911 805312402 /nfs/dbraw/zinc/31/24/02/805312402.db2.gz COQYYVHGQWQYNS-SCZZXKLOSA-N -1 0 310.354 -0.058 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)CCc2cnn(C)c2)c1[O-] ZINC001292644883 805313230 /nfs/dbraw/zinc/31/32/30/805313230.db2.gz RXERTLUYYUBKTG-UHFFFAOYSA-N -1 0 320.353 -0.364 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000826922143 805323086 /nfs/dbraw/zinc/32/30/86/805323086.db2.gz VEZLGGLSEOUILZ-NSHDSACASA-N -1 0 314.386 -0.345 20 0 DBADRM CCN(CCNC(=O)CCC[C@@]1(C)NC(=O)NC1=O)C(=O)[O-] ZINC000827134955 805328997 /nfs/dbraw/zinc/32/89/97/805328997.db2.gz QROHVGKQPVGRDI-CYBMUJFWSA-N -1 0 314.342 -0.129 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@H]2COCCN2C)cc1=O ZINC000827422223 805337577 /nfs/dbraw/zinc/33/75/77/805337577.db2.gz BBQGYHLFFMIVRF-ZDUSSCGKSA-N -1 0 310.398 -0.178 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCCN1CCOC1=O ZINC001292792332 805341241 /nfs/dbraw/zinc/34/12/41/805341241.db2.gz QLUIOHMGKRGHCE-UHFFFAOYSA-N -1 0 313.314 -0.572 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)[C@H]1CCCC12CC2 ZINC001292925451 805359096 /nfs/dbraw/zinc/35/90/96/805359096.db2.gz HSFJHYPWIRZDGR-SECBINFHSA-N -1 0 323.353 -0.498 20 0 DBADRM CCC(CC)CC(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001293012153 805371490 /nfs/dbraw/zinc/37/14/90/805371490.db2.gz AAUYMCRMLZXVOY-UHFFFAOYSA-N -1 0 311.342 -0.045 20 0 DBADRM CC[C@@H]1CCC[C@H]1C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001293012717 805373226 /nfs/dbraw/zinc/37/32/26/805373226.db2.gz JLYWZCDGYDEROW-RKDXNWHRSA-N -1 0 323.353 -0.045 20 0 DBADRM CC[C@H]1CCC[C@H]1C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001293012713 805373380 /nfs/dbraw/zinc/37/33/80/805373380.db2.gz JLYWZCDGYDEROW-DTWKUNHWSA-N -1 0 323.353 -0.045 20 0 DBADRM O=C(C[C@H]1C=CCC1)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001293133101 805387971 /nfs/dbraw/zinc/38/79/71/805387971.db2.gz RIBKZXZMDHNNIB-VIFPVBQESA-N -1 0 321.337 -0.125 20 0 DBADRM CCCN1C(=O)C(=O)N(CN2CC[C@@](F)(C(=O)[O-])C2)C1=O ZINC000829502108 805395284 /nfs/dbraw/zinc/39/52/84/805395284.db2.gz MEEVLGMWMUUBNI-LBPRGKRZSA-N -1 0 301.274 -0.357 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)c2nnn(C)c2C)c1[O-] ZINC001293213116 805400130 /nfs/dbraw/zinc/40/01/30/805400130.db2.gz DQVRSYCXVLWKFU-UHFFFAOYSA-N -1 0 321.341 -0.589 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000829862150 805404021 /nfs/dbraw/zinc/40/40/21/805404021.db2.gz XVLQUCDYRDVCRS-VIFPVBQESA-N -1 0 308.356 -0.189 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000830017230 805414726 /nfs/dbraw/zinc/41/47/26/805414726.db2.gz IQJKSPBLABTGKE-UWVGGRQHSA-N -1 0 322.383 -0.879 20 0 DBADRM CO[C@H](C)CS(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000830053783 805417819 /nfs/dbraw/zinc/41/78/19/805417819.db2.gz WSNYHCKNUCXWGY-JFGNBEQYSA-N -1 0 307.368 -0.226 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1 ZINC000830058576 805418052 /nfs/dbraw/zinc/41/80/52/805418052.db2.gz VOCWFPROTBHCJN-GMXVVIOVSA-N -1 0 318.395 -0.004 20 0 DBADRM Cn1cnc(S(=O)(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c1 ZINC000830062891 805418888 /nfs/dbraw/zinc/41/88/88/805418888.db2.gz RFYPDWRAUVPSLP-JOYOIKCWSA-N -1 0 315.351 -0.468 20 0 DBADRM O=C([O-])C[C@@]1(NS(=O)(=O)C[C@@H]2CCCOC2)CCOC1 ZINC000830098198 805419996 /nfs/dbraw/zinc/41/99/96/805419996.db2.gz PVJPGSJKNGQBBM-PWSUYJOCSA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])C[C@]1(NS(=O)(=O)C[C@H]2CCCOC2)CCOC1 ZINC000830098196 805420693 /nfs/dbraw/zinc/42/06/93/805420693.db2.gz PVJPGSJKNGQBBM-CMPLNLGQSA-N -1 0 307.368 -0.034 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCCOC2)n1 ZINC000830099096 805420708 /nfs/dbraw/zinc/42/07/08/805420708.db2.gz YAEGJJCMJWPDLK-LLVKDONJSA-N -1 0 303.340 -0.278 20 0 DBADRM CC(F)(F)CC(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001293465177 805424692 /nfs/dbraw/zinc/42/46/92/805424692.db2.gz JXMLNJPQKRSTCK-UHFFFAOYSA-N -1 0 319.268 -0.436 20 0 DBADRM C/C=C(\C)C(=O)N(C)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001293687284 805440909 /nfs/dbraw/zinc/44/09/09/805440909.db2.gz XQDGIZLZQDKVPZ-WXLQGSQKSA-N -1 0 323.353 -0.285 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000830829322 805441102 /nfs/dbraw/zinc/44/11/02/805441102.db2.gz XEFOHEKXKANNNO-SNVBAGLBSA-N -1 0 307.272 -0.079 20 0 DBADRM C[C@@H]1CCN(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)C[C@H]1C(=O)[O-] ZINC000831038091 805444661 /nfs/dbraw/zinc/44/46/61/805444661.db2.gz CWWFUXKQYBSKFH-HRDYMLBCSA-N -1 0 312.326 -0.631 20 0 DBADRM COC(=O)C1CCN(C(=O)CN2CC[C@@](F)(C(=O)[O-])C2)CC1 ZINC000831115384 805445848 /nfs/dbraw/zinc/44/58/48/805445848.db2.gz ZMAWKMMOUJRLFU-AWEZNQCLSA-N -1 0 316.329 -0.103 20 0 DBADRM COC(=O)N1CCC(NC(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000831204404 805448504 /nfs/dbraw/zinc/44/85/04/805448504.db2.gz UFDFOCZKNSJPKD-UHFFFAOYSA-N -1 0 311.298 -0.677 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001293875621 805449023 /nfs/dbraw/zinc/44/90/23/805449023.db2.gz QAUXHISFQMKRIK-UHFFFAOYSA-N -1 0 310.310 -0.729 20 0 DBADRM CN(CCCNC(=O)C1CCC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001293911199 805449999 /nfs/dbraw/zinc/44/99/99/805449999.db2.gz WIYTXGJJTIKYPD-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])NC[C@@H]1CCCO1 ZINC000831504688 805454442 /nfs/dbraw/zinc/45/44/42/805454442.db2.gz YOQBHYOUQXOSQI-VHSXEESVSA-N -1 0 316.310 -0.796 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)OC1([C@H]2CCOC2)CC1 ZINC000831490027 805454724 /nfs/dbraw/zinc/45/47/24/805454724.db2.gz ZRHXZISFISZQBI-JTQLQIEISA-N -1 0 312.322 -0.079 20 0 DBADRM COc1n[nH]c(NC(=O)[C@@H](C)n2cnc3c2ncnc3N)n1 ZINC000831566988 805457223 /nfs/dbraw/zinc/45/72/23/805457223.db2.gz XTFZPGQAZYTZQA-RXMQYKEDSA-N -1 0 303.286 -0.265 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N(C)CCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001294222319 805472772 /nfs/dbraw/zinc/47/27/72/805472772.db2.gz DYHIUHKATYDSTR-BDAKNGLRSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCCNC(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC001294218600 805473369 /nfs/dbraw/zinc/47/33/69/805473369.db2.gz HHUWQEQDTUXUTH-VIFPVBQESA-N -1 0 323.353 -0.719 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)NCCc1n[n-]c(=S)o1 ZINC000832363978 805478949 /nfs/dbraw/zinc/47/89/49/805478949.db2.gz UVRLEEKSOJGPEI-UHFFFAOYSA-N -1 0 311.367 -0.083 20 0 DBADRM CCOCCO[N-]C(=O)CNS(=O)(=O)c1ccccc1N ZINC000832385680 805479803 /nfs/dbraw/zinc/47/98/03/805479803.db2.gz GBXRQEDVVQEHHO-UHFFFAOYSA-N -1 0 317.367 -0.369 20 0 DBADRM Cc1nc(NC(=O)Cn2c(=O)[n-][nH]c2=O)n(-c2ccccc2)n1 ZINC001294356401 805484797 /nfs/dbraw/zinc/48/47/97/805484797.db2.gz ONWGBSJJRNVGOJ-UHFFFAOYSA-N -1 0 315.293 -0.361 20 0 DBADRM CO[N-]C(=O)CNC(=O)CN(CCc1ccccc1)C(C)=O ZINC000832762281 805490639 /nfs/dbraw/zinc/49/06/39/805490639.db2.gz MSJIFONYKSMSOK-UHFFFAOYSA-N -1 0 307.350 -0.129 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000832776023 805491310 /nfs/dbraw/zinc/49/13/10/805491310.db2.gz BAOJINGANLFHCG-SECBINFHSA-N -1 0 309.297 -0.028 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000832767188 805491435 /nfs/dbraw/zinc/49/14/35/805491435.db2.gz XWKSNOBRCKLNIR-ZDUSSCGKSA-N -1 0 307.350 -0.319 20 0 DBADRM O=C(NCC1OCCCO1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000832785131 805492755 /nfs/dbraw/zinc/49/27/55/805492755.db2.gz LWXQHTQYZHOZJQ-UHFFFAOYSA-N -1 0 306.278 -0.071 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccccc1OCC(=O)N(C)C ZINC000832776497 805492815 /nfs/dbraw/zinc/49/28/15/805492815.db2.gz VLZNIPDWLJAGSY-UHFFFAOYSA-N -1 0 309.322 -0.439 20 0 DBADRM NC(=O)c1cccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000833085778 805494494 /nfs/dbraw/zinc/49/44/94/805494494.db2.gz CCYXAMLYRZWMRW-UHFFFAOYSA-N -1 0 303.278 -0.608 20 0 DBADRM CNC(=O)CC1CCN(CN2C[C@H](NC(=O)[O-])CC2=O)CC1 ZINC000833875280 805496164 /nfs/dbraw/zinc/49/61/64/805496164.db2.gz NCKODMZCXKILLK-LLVKDONJSA-N -1 0 312.370 -0.340 20 0 DBADRM COC(=O)CCNC(=O)CN1CCN(C(=O)[O-])[C@@H](C)[C@H]1C ZINC000833880472 805496184 /nfs/dbraw/zinc/49/61/84/805496184.db2.gz XUVQVGXOESZRRB-ZJUUUORDSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@@H]1CCCO1 ZINC000834325049 805497336 /nfs/dbraw/zinc/49/73/36/805497336.db2.gz SSCJTPNKVYPLTA-ZJUUUORDSA-N -1 0 306.384 -0.226 20 0 DBADRM CCCO[N-]C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000834353165 805498193 /nfs/dbraw/zinc/49/81/93/805498193.db2.gz IBMFJPKXZPFRJJ-UHFFFAOYSA-N -1 0 319.321 -0.033 20 0 DBADRM CCCO[N-]C(=O)C(=O)Nc1ccc(S(=O)(=O)NC)cc1 ZINC000834352953 805498654 /nfs/dbraw/zinc/49/86/54/805498654.db2.gz BGHUNFMIAMXBSA-UHFFFAOYSA-N -1 0 315.351 -0.009 20 0 DBADRM CC(C)=CC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001294700052 805499828 /nfs/dbraw/zinc/49/98/28/805499828.db2.gz SIDQWZLTBPVJAW-VIFPVBQESA-N -1 0 309.326 -0.627 20 0 DBADRM CC(C)(O)CO[N-]C(=O)CNS(=O)(=O)c1ccccc1N ZINC000834618281 805513409 /nfs/dbraw/zinc/51/34/09/805513409.db2.gz JYGJHTGXPGCKLA-UHFFFAOYSA-N -1 0 317.367 -0.634 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000835099552 805519347 /nfs/dbraw/zinc/51/93/47/805519347.db2.gz YYEUEHVESAIMJJ-WDEREUQCSA-N -1 0 306.384 -0.115 20 0 DBADRM Cn1ncc(CCC(=O)[N-]S(=O)(=O)N2CCCCC2)n1 ZINC000835097312 805519432 /nfs/dbraw/zinc/51/94/32/805519432.db2.gz IQZAWFGQWHHLGO-UHFFFAOYSA-N -1 0 301.372 -0.405 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc2n1CCCC2 ZINC000835294434 805520689 /nfs/dbraw/zinc/52/06/89/805520689.db2.gz CLZWTQZZMBFFKE-QMMMGPOBSA-N -1 0 315.351 -0.160 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)CCOC(C)(C)C)C1 ZINC000835918147 805521599 /nfs/dbraw/zinc/52/15/99/805521599.db2.gz XAWLYOHAFQTWRI-UHFFFAOYSA-N -1 0 306.384 -0.274 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000835743791 805521954 /nfs/dbraw/zinc/52/19/54/805521954.db2.gz JKZJXKKZRLICPF-OUAUKWLOSA-N -1 0 318.395 -0.274 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)C(F)(F)C(=O)N1CCOCC1 ZINC000836232456 805526441 /nfs/dbraw/zinc/52/64/41/805526441.db2.gz BCPLFKPQJRRXQP-VIFPVBQESA-N -1 0 310.297 -0.455 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000836898564 805529803 /nfs/dbraw/zinc/52/98/03/805529803.db2.gz CTXLZDSPFFKIRS-VIFPVBQESA-N -1 0 308.342 -0.146 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]OC(C)(C)CO)C1=O ZINC000836801818 805530220 /nfs/dbraw/zinc/53/02/20/805530220.db2.gz VKFMUBQRZULBHO-UHFFFAOYSA-N -1 0 301.343 -0.084 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccn1 ZINC000838797763 805545702 /nfs/dbraw/zinc/54/57/02/805545702.db2.gz PXRVGXHDUZCIOK-MRVPVSSYSA-N -1 0 302.308 -0.532 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cn(CCC(C)C)nn1 ZINC000838801865 805545822 /nfs/dbraw/zinc/54/58/22/805545822.db2.gz VBHBVOKZGLZVJF-UHFFFAOYSA-N -1 0 318.355 -0.443 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C ZINC000838800029 805546025 /nfs/dbraw/zinc/54/60/25/805546025.db2.gz MAOOXSUHMJCEMY-DTWKUNHWSA-N -1 0 305.352 -0.143 20 0 DBADRM CCOc1ncccc1C(=O)[N-]S(=O)(=O)CC(=O)OC ZINC000838802024 805546033 /nfs/dbraw/zinc/54/60/33/805546033.db2.gz PRQXXNCREHRKFT-UHFFFAOYSA-N -1 0 302.308 -0.287 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](OC)c1ccccc1 ZINC000838802362 805546043 /nfs/dbraw/zinc/54/60/43/805546043.db2.gz RHNRORGCPCLTEY-LLVKDONJSA-N -1 0 301.320 -0.007 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1COc2ccccc2C1 ZINC000838804380 805546071 /nfs/dbraw/zinc/54/60/71/805546071.db2.gz UHLLMTLWIOBFSD-JTQLQIEISA-N -1 0 313.331 -0.143 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(=O)OC ZINC000838798396 805546106 /nfs/dbraw/zinc/54/61/06/805546106.db2.gz UNXRACPMFSEKNT-QMMMGPOBSA-N -1 0 324.355 -0.624 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000838846551 805546583 /nfs/dbraw/zinc/54/65/83/805546583.db2.gz AAFRPBZBROAYFV-MRVPVSSYSA-N -1 0 318.351 -0.994 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCC2 ZINC000838841023 805546610 /nfs/dbraw/zinc/54/66/10/805546610.db2.gz KTGPUYPITCOZKJ-UHFFFAOYSA-N -1 0 315.351 -0.158 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCNC(=O)CC(C)C ZINC000838847618 805546911 /nfs/dbraw/zinc/54/69/11/805546911.db2.gz NIWLXVCIIRGBQZ-UHFFFAOYSA-N -1 0 322.383 -0.452 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000838848991 805546948 /nfs/dbraw/zinc/54/69/48/805546948.db2.gz PFPYWTFZYWDYSD-QMMMGPOBSA-N -1 0 322.383 -0.454 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)C1(C(=O)OCC)CC1 ZINC000838846093 805546962 /nfs/dbraw/zinc/54/69/62/805546962.db2.gz ZMQPVQOXHCMSGA-UHFFFAOYSA-N -1 0 307.324 -0.661 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCOCC(F)F ZINC000838847419 805547239 /nfs/dbraw/zinc/54/72/39/805547239.db2.gz VXPMVIBIBBXXJQ-UHFFFAOYSA-N -1 0 303.283 -0.333 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CC(C)(C)C(=O)OCC ZINC000838846457 805547268 /nfs/dbraw/zinc/54/72/68/805547268.db2.gz UGGGYBGGMHOTMV-UHFFFAOYSA-N -1 0 323.367 -0.025 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)COCCc1ccccc1 ZINC000838807758 805547278 /nfs/dbraw/zinc/54/72/78/805547278.db2.gz RGXCKTKDELLYJP-UHFFFAOYSA-N -1 0 315.347 -0.135 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CC1OCCO1 ZINC000838894143 805548487 /nfs/dbraw/zinc/54/84/87/805548487.db2.gz KIMBYFAGWSXISS-SECBINFHSA-N -1 0 323.367 -0.073 20 0 DBADRM CS(=O)(=O)c1ccc(C=CC(=O)NCc2nc(=O)o[n-]2)o1 ZINC001295427852 805554825 /nfs/dbraw/zinc/55/48/25/805554825.db2.gz FANOTGPWVGGOLP-DUXPYHPUSA-N -1 0 313.291 -0.311 20 0 DBADRM COc1cc(S(=O)(=O)NCc2nc(=O)o[n-]2)cnc1Cl ZINC001324572999 806987362 /nfs/dbraw/zinc/98/73/62/806987362.db2.gz SOZQIRKLYQTDSX-UHFFFAOYSA-N -1 0 320.714 -0.102 20 0 DBADRM O=C(NCc1ccc(-n2cncn2)cc1)c1n[nH]c(=O)[n-]c1=O ZINC001324635293 806994168 /nfs/dbraw/zinc/99/41/68/806994168.db2.gz IVGPGPYRJHPOLP-UHFFFAOYSA-N -1 0 313.277 -0.207 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccnc3n[nH]nc32)C1=O ZINC001324754481 807004566 /nfs/dbraw/zinc/00/45/66/807004566.db2.gz LBXROUUMGPVPHJ-LBPRGKRZSA-N -1 0 303.282 -0.282 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000883414102 807013375 /nfs/dbraw/zinc/01/33/75/807013375.db2.gz LOVNLRPAXISOKG-QWRGUYRKSA-N -1 0 316.354 -0.428 20 0 DBADRM C[C@@H]1CCSCCN1C(=O)C(=O)NCCOCC(=O)[O-] ZINC000884474466 807050540 /nfs/dbraw/zinc/05/05/40/807050540.db2.gz AWWDSUYRQQEVNL-SECBINFHSA-N -1 0 304.368 -0.442 20 0 DBADRM CS[C@@H]1CCCCN(C(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC000884473961 807050563 /nfs/dbraw/zinc/05/05/63/807050563.db2.gz MEMJXMVILHUIPN-SNVBAGLBSA-N -1 0 318.395 -0.052 20 0 DBADRM CS[C@H]1CCCCN(C(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC000884473960 807050572 /nfs/dbraw/zinc/05/05/72/807050572.db2.gz MEMJXMVILHUIPN-JTQLQIEISA-N -1 0 318.395 -0.052 20 0 DBADRM C[C@H]1CCSCCN1C(=O)C(=O)NCCOCC(=O)[O-] ZINC000884474467 807050965 /nfs/dbraw/zinc/05/09/65/807050965.db2.gz AWWDSUYRQQEVNL-VIFPVBQESA-N -1 0 304.368 -0.442 20 0 DBADRM CSCC[C@H](C)N(C)C(=O)C(=O)NCCOCC(=O)[O-] ZINC000884476408 807050993 /nfs/dbraw/zinc/05/09/93/807050993.db2.gz OXIPIPVOECZTMK-VIFPVBQESA-N -1 0 306.384 -0.196 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCc2ccc(F)cc2C1 ZINC000884473651 807051002 /nfs/dbraw/zinc/05/10/02/807051002.db2.gz BXEBLUPFWCGHEJ-UHFFFAOYSA-N -1 0 324.308 -0.072 20 0 DBADRM CCOCCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001325428947 807070179 /nfs/dbraw/zinc/07/01/79/807070179.db2.gz XRKHJKAUUJAOIF-UHFFFAOYSA-N -1 0 308.356 -0.646 20 0 DBADRM C[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])c1ncnn1C ZINC001325861175 807111168 /nfs/dbraw/zinc/11/11/68/807111168.db2.gz AGUYFMKECKRKAT-QMMMGPOBSA-N -1 0 311.342 -0.391 20 0 DBADRM CCOC(=O)Cn1cnc(NC(=O)C(=O)[N-]OC2CCC2)n1 ZINC001325911836 807116647 /nfs/dbraw/zinc/11/66/47/807116647.db2.gz AIDDDURDEXKNTN-UHFFFAOYSA-N -1 0 311.298 -0.620 20 0 DBADRM Cn1nnc2cc(NC(=O)C(=O)[N-]OC[C@@H]3CCOC3)ccc21 ZINC001326077913 807142445 /nfs/dbraw/zinc/14/24/45/807142445.db2.gz SDNQBVKJYSREOK-SECBINFHSA-N -1 0 319.321 -0.009 20 0 DBADRM O=C([O-])[C@@H]1CN(c2ccnc(C(=O)N3CCOCC3)c2)CCO1 ZINC000886905183 807144149 /nfs/dbraw/zinc/14/41/49/807144149.db2.gz AZPDNPXNODRJCD-ZDUSSCGKSA-N -1 0 321.333 -0.156 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1C[C@@H]2CSC[C@@H]2C1)C(=O)[O-] ZINC000887052233 807146816 /nfs/dbraw/zinc/14/68/16/807146816.db2.gz OZWHDWGPZWFYOK-LPEHRKFASA-N -1 0 300.380 -0.013 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C[C@@H]1C(=O)[O-] ZINC000887051979 807147000 /nfs/dbraw/zinc/14/70/00/807147000.db2.gz FYTHPFUHEZXTRA-NWBUJAPZSA-N -1 0 324.377 -0.215 20 0 DBADRM O=C([O-])[C@H]1CCCCN1C(=O)CN1CCCCS1(=O)=O ZINC000887324030 807155250 /nfs/dbraw/zinc/15/52/50/807155250.db2.gz PDPWOFZMMLJJLP-SNVBAGLBSA-N -1 0 304.368 -0.122 20 0 DBADRM Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H](C)C(=O)[O-])CC2)no1 ZINC001326203948 807159768 /nfs/dbraw/zinc/15/97/68/807159768.db2.gz LGJNEHMSBRFFAE-SNVBAGLBSA-N -1 0 324.337 -0.214 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1 ZINC001326198999 807160149 /nfs/dbraw/zinc/16/01/49/807160149.db2.gz HGBGBJLJTWPUID-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NCc2cccnn2)CC1 ZINC001326238853 807163364 /nfs/dbraw/zinc/16/33/64/807163364.db2.gz DWEMWPQGKFJFIP-UHFFFAOYSA-N -1 0 306.322 -0.194 20 0 DBADRM CCn1ncn([N-]C(=O)c2cn(Cc3ccccn3)nn2)c1=O ZINC001326405745 807178812 /nfs/dbraw/zinc/17/88/12/807178812.db2.gz GOUJNWCXUIPBSO-UHFFFAOYSA-N -1 0 314.309 -0.517 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CC[C@H]1CO ZINC000889125708 807187338 /nfs/dbraw/zinc/18/73/38/807187338.db2.gz FLWXLHJOCPWVAY-QMMMGPOBSA-N -1 0 320.317 -0.164 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC001326681962 807204800 /nfs/dbraw/zinc/20/48/00/807204800.db2.gz NYOPVYKJJPJBGO-GHMZBOCLSA-N -1 0 315.370 -0.508 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(c3ccc4nnnn4n3)C2)nn1 ZINC001326692642 807205615 /nfs/dbraw/zinc/20/56/15/807205615.db2.gz LRWVBKNBSVUWLA-MRVPVSSYSA-N -1 0 315.297 -0.350 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC001326789136 807211404 /nfs/dbraw/zinc/21/14/04/807211404.db2.gz VVDJJUNGNNSEHN-UHFFFAOYSA-N -1 0 301.324 -0.869 20 0 DBADRM O=C([O-])CCCNC(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001326805802 807214129 /nfs/dbraw/zinc/21/41/29/807214129.db2.gz MVFQXZOTIDSQGX-UHFFFAOYSA-N -1 0 322.383 -0.256 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1CCC(F)CC1 ZINC001327017442 807233092 /nfs/dbraw/zinc/23/30/92/807233092.db2.gz OREMQTQAWMZRFB-UHFFFAOYSA-N -1 0 303.334 -0.185 20 0 DBADRM COC[C@H](NC(=O)C(=O)[N-]OCCSC)[C@H]1CCCOC1 ZINC000898749802 807235679 /nfs/dbraw/zinc/23/56/79/807235679.db2.gz LLBUBGZSIJBQEA-QWRGUYRKSA-N -1 0 320.411 -0.045 20 0 DBADRM CCON(C)C(=O)CNC(=O)C(=O)[N-]OC1CCCCC1 ZINC001327039586 807236333 /nfs/dbraw/zinc/23/63/33/807236333.db2.gz WLFAZPMOOGLBHX-UHFFFAOYSA-N -1 0 301.343 -0.107 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)CCOC(C)(C)C ZINC001327039232 807236362 /nfs/dbraw/zinc/23/63/62/807236362.db2.gz VEYBHYYYTWZEEE-UHFFFAOYSA-N -1 0 303.359 -0.556 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](c2ccccn2)C1 ZINC001327051133 807237815 /nfs/dbraw/zinc/23/78/15/807237815.db2.gz RSXBQJVCLTWJPY-NSHDSACASA-N -1 0 320.349 -0.419 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)CCO1 ZINC000898863346 807240518 /nfs/dbraw/zinc/24/05/18/807240518.db2.gz HRMKRCHSWLXJMH-MNOVXSKESA-N -1 0 311.338 -0.508 20 0 DBADRM COCCS(=O)(=O)CC(=O)[N-]OCc1cccc(C)n1 ZINC000898935912 807241607 /nfs/dbraw/zinc/24/16/07/807241607.db2.gz JLEICGVTLLJPBU-UHFFFAOYSA-N -1 0 302.352 -0.001 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2cc(OC(F)F)n(C)n2)C(=O)N1C ZINC000899034581 807244134 /nfs/dbraw/zinc/24/41/34/807244134.db2.gz FTKTZBCZGVKBBU-RXMQYKEDSA-N -1 0 317.252 -0.051 20 0 DBADRM CCOCCn1cc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)cn1 ZINC000899041396 807245014 /nfs/dbraw/zinc/24/50/14/807245014.db2.gz UEOXEYWKRUGWCB-SECBINFHSA-N -1 0 309.326 -0.153 20 0 DBADRM CCOCCn1cc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)cn1 ZINC000899041398 807245671 /nfs/dbraw/zinc/24/56/71/807245671.db2.gz UEOXEYWKRUGWCB-VIFPVBQESA-N -1 0 309.326 -0.153 20 0 DBADRM Cc1nc2ccnn2cc1C(=O)[N-]N1C(=O)[C@H](C)N(C)C1=O ZINC000899039258 807245753 /nfs/dbraw/zinc/24/57/53/807245753.db2.gz WENMFRXNFIKFEL-QMMMGPOBSA-N -1 0 302.294 -0.035 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)Cc1nc(CCOC)no1 ZINC001327285384 807254302 /nfs/dbraw/zinc/25/43/02/807254302.db2.gz ZIJNDJBRESWPGV-UHFFFAOYSA-N -1 0 315.330 -0.532 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CCCOCC2)C[C@H]1C(=O)[O-] ZINC000899557147 807263474 /nfs/dbraw/zinc/26/34/74/807263474.db2.gz MSXWYXOQVNNXER-WDEREUQCSA-N -1 0 306.384 -0.004 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)N2CCCOCC2)C1 ZINC000899555756 807263546 /nfs/dbraw/zinc/26/35/46/807263546.db2.gz ULENZDOORBNIQZ-QWRGUYRKSA-N -1 0 306.384 -0.004 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCCOCC2)CC[C@@H]1C(=O)[O-] ZINC000899566420 807263857 /nfs/dbraw/zinc/26/38/57/807263857.db2.gz RQQAKBPVYIUDNL-MNOVXSKESA-N -1 0 306.384 -0.004 20 0 DBADRM CC(C)[C@@]1(C(=O)[O-])C[C@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000899813085 807273286 /nfs/dbraw/zinc/27/32/86/807273286.db2.gz RYFRKALEKNFUMS-GWCFXTLKSA-N -1 0 318.395 -0.163 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2CC[C@]2(C(=O)[O-])C1 ZINC000899954931 807277922 /nfs/dbraw/zinc/27/79/22/807277922.db2.gz OVOBPDHIBWRTCM-PTRXPTGYSA-N -1 0 304.368 -0.411 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001327476253 807288686 /nfs/dbraw/zinc/28/86/86/807288686.db2.gz AASQGGDJEUBYEN-LBPRGKRZSA-N -1 0 304.368 -0.195 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NC[C@@H](O)C2CC2)n1 ZINC001327480822 807289490 /nfs/dbraw/zinc/28/94/90/807289490.db2.gz UBRBUMBZZLULDG-SECBINFHSA-N -1 0 324.337 -0.472 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001327478359 807289564 /nfs/dbraw/zinc/28/95/64/807289564.db2.gz DRWLSDWIPNLGLL-UHFFFAOYSA-N -1 0 308.294 -0.639 20 0 DBADRM C[C@H](NC(=O)C(=O)NCC1(C(=O)[O-])CCC1)c1ncn(C)n1 ZINC001327499997 807293295 /nfs/dbraw/zinc/29/32/95/807293295.db2.gz JXKKKZSILHBZPH-QMMMGPOBSA-N -1 0 309.326 -0.637 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CCC[C@H]1OC ZINC001327507704 807295653 /nfs/dbraw/zinc/29/56/53/807295653.db2.gz OGHPZTCFTGCFJW-NXEZZACHSA-N -1 0 301.343 -0.898 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](OC(C)C)C1 ZINC001327571224 807305449 /nfs/dbraw/zinc/30/54/49/807305449.db2.gz GWTOXTWERDDKGW-LLVKDONJSA-N -1 0 315.370 -0.414 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCO[C@H](CC)C1 ZINC001327572592 807305833 /nfs/dbraw/zinc/30/58/33/807305833.db2.gz ZSJZENNZGOULSH-SNVBAGLBSA-N -1 0 301.343 -0.802 20 0 DBADRM CO[N-]C(=O)CNC(=O)CC[C@H]1CC[C@H](C2OCCO2)O1 ZINC000900701720 807322468 /nfs/dbraw/zinc/32/24/68/807322468.db2.gz SWFIFSLVMUHASF-NXEZZACHSA-N -1 0 302.327 -0.519 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC001327679933 807322671 /nfs/dbraw/zinc/32/26/71/807322671.db2.gz KDLDMNQGMQCWIR-VIFPVBQESA-N -1 0 321.333 -0.250 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](CC)[C@@H]1CCCCO1 ZINC001327756887 807333493 /nfs/dbraw/zinc/33/34/93/807333493.db2.gz BPZRBKBWXDYUMA-MNOVXSKESA-N -1 0 315.370 -0.366 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCCN1CCS(=O)(=O)CC1 ZINC001327944953 807361015 /nfs/dbraw/zinc/36/10/15/807361015.db2.gz JEWIJLFNUOBIJH-SNVBAGLBSA-N -1 0 320.411 -0.420 20 0 DBADRM CN1C(=O)COc2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc21 ZINC000901454297 807364651 /nfs/dbraw/zinc/36/46/51/807364651.db2.gz SWDFLQSYMQQFSL-LBPRGKRZSA-N -1 0 320.301 -0.033 20 0 DBADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000901653249 807365537 /nfs/dbraw/zinc/36/55/37/807365537.db2.gz UOPVVIYOGYWEEW-KJPMQGKISA-N -1 0 301.364 -0.011 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC000901648130 807365581 /nfs/dbraw/zinc/36/55/81/807365581.db2.gz QVFNUSNWVFLMMA-ZJUUUORDSA-N -1 0 308.338 -0.048 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000901863005 807365873 /nfs/dbraw/zinc/36/58/73/807365873.db2.gz SNHUXVXBASYANT-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000901747406 807366073 /nfs/dbraw/zinc/36/60/73/807366073.db2.gz HMAWPJTWCFKDOV-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM CN1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C(C)(C)C1=O ZINC000901716060 807366096 /nfs/dbraw/zinc/36/60/96/807366096.db2.gz CEUGSDHPHMQYIC-UHFFFAOYSA-N -1 0 321.333 -0.374 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000901817246 807366208 /nfs/dbraw/zinc/36/62/08/807366208.db2.gz KNNGAOJTFYGKBT-BQBZGAKWSA-N -1 0 312.244 -0.292 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@]3(C(=O)[O-])C[C@H]3C)CCN2C1=O ZINC000901846334 807366333 /nfs/dbraw/zinc/36/63/33/807366333.db2.gz BOGICGSOQOWIDD-ITMYJUKJSA-N -1 0 309.322 -0.408 20 0 DBADRM O=C([O-])CN(CC1CC1)C(=O)CN1CCCCS1(=O)=O ZINC000902011807 807366899 /nfs/dbraw/zinc/36/68/99/807366899.db2.gz MCONUFFEKMTJBG-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)C1 ZINC000901992444 807367503 /nfs/dbraw/zinc/36/75/03/807367503.db2.gz JUYWPWGHGIYTLA-FOGDFJRCSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1cnc3cccnn31)C2 ZINC000902061770 807368080 /nfs/dbraw/zinc/36/80/80/807368080.db2.gz FGBIKDKQNHHRBL-YMTOWFKASA-N -1 0 302.290 -0.098 20 0 DBADRM O=C([O-])[C@@H](C(=O)N1CCN(S(=O)(=O)C2CC2)CC1)C1CC1 ZINC000902149770 807368707 /nfs/dbraw/zinc/36/87/07/807368707.db2.gz YLZUVUMRSRIWIG-LLVKDONJSA-N -1 0 316.379 -0.266 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)CNC(=O)N2CCCC2)C1 ZINC000902323668 807371802 /nfs/dbraw/zinc/37/18/02/807371802.db2.gz WDOPOYGADSWNDT-CQSZACIVSA-N -1 0 313.354 -0.259 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)CNC(=O)N2CCCC2)C1 ZINC000902323667 807371832 /nfs/dbraw/zinc/37/18/32/807371832.db2.gz WDOPOYGADSWNDT-AWEZNQCLSA-N -1 0 313.354 -0.259 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H](O)C2CCOCC2)C1 ZINC000902310193 807372064 /nfs/dbraw/zinc/37/20/64/807372064.db2.gz JCUVMKMAQBZUDC-RISCZKNCSA-N -1 0 301.339 -0.276 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)[C@H](C(=O)[O-])C3CCCC3)C[C@H]2C1=O ZINC000902444128 807374028 /nfs/dbraw/zinc/37/40/28/807374028.db2.gz IAAZDARWHKMDGD-OUAUKWLOSA-N -1 0 308.334 -0.049 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000902627904 807379504 /nfs/dbraw/zinc/37/95/04/807379504.db2.gz LRFCKHRSJPHCOT-DNJQJEMRSA-N -1 0 301.364 -0.010 20 0 DBADRM Cc1cn(C(C)(C)C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cn1 ZINC000902772610 807381593 /nfs/dbraw/zinc/38/15/93/807381593.db2.gz HVELHKLYOCFFSD-UHFFFAOYSA-N -1 0 308.338 -0.318 20 0 DBADRM CO[C@@H](CC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C(F)(F)F ZINC000902772431 807381660 /nfs/dbraw/zinc/38/16/60/807381660.db2.gz RDFIQOHIMYYWII-ZETCQYMHSA-N -1 0 312.244 -0.291 20 0 DBADRM CCOCCOCCCC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000902771892 807381930 /nfs/dbraw/zinc/38/19/30/807381930.db2.gz MVSGIRCWRWGLMP-UHFFFAOYSA-N -1 0 316.354 -0.425 20 0 DBADRM CC1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1 ZINC000902774286 807382037 /nfs/dbraw/zinc/38/20/37/807382037.db2.gz CEIDLVVBEYQBMC-UHFFFAOYSA-N -1 0 311.338 -1.000 20 0 DBADRM CC[C@@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)N1CCCC1=O ZINC000902782276 807382551 /nfs/dbraw/zinc/38/25/51/807382551.db2.gz CCNHDPHRCKLNPD-JTQLQIEISA-N -1 0 311.338 -0.857 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC001328178902 807389369 /nfs/dbraw/zinc/38/93/69/807389369.db2.gz XTMBQFJECWDBQZ-RKDXNWHRSA-N -1 0 324.424 -0.521 20 0 DBADRM COC[C@@H]1COCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000903530362 807393207 /nfs/dbraw/zinc/39/32/07/807393207.db2.gz BIHJCZVPENWSAH-ZJUUUORDSA-N -1 0 308.356 -0.873 20 0 DBADRM COC[C@H]1COCCN1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000903533018 807393514 /nfs/dbraw/zinc/39/35/14/807393514.db2.gz ZHYLDDHXGWUIHE-MNOVXSKESA-N -1 0 322.383 -0.625 20 0 DBADRM COC[C@@H]1COCCN1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000903533017 807393706 /nfs/dbraw/zinc/39/37/06/807393706.db2.gz ZHYLDDHXGWUIHE-GHMZBOCLSA-N -1 0 322.383 -0.625 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12 ZINC000903538151 807394261 /nfs/dbraw/zinc/39/42/61/807394261.db2.gz PGEZDSMEYBYMPE-XWLWVQCSSA-N -1 0 306.384 -0.102 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1(SCC)CC1 ZINC001328213562 807394495 /nfs/dbraw/zinc/39/44/95/807394495.db2.gz PRTWJCCRHLZSNE-UHFFFAOYSA-N -1 0 303.384 -0.428 20 0 DBADRM CCn1ccc(NC(=O)C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)n1 ZINC001328333181 807412636 /nfs/dbraw/zinc/41/26/36/807412636.db2.gz HYLKEBONGBYULR-SNVBAGLBSA-N -1 0 320.309 -0.483 20 0 DBADRM CCN(C)S(=O)(=O)N1Cc2cc(C(=O)[O-])nn2C[C@H]1C ZINC000903877631 807419051 /nfs/dbraw/zinc/41/90/51/807419051.db2.gz CEFHBWJVLXFHNJ-MRVPVSSYSA-N -1 0 302.356 -0.018 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1cccn(CC(F)(F)F)c1=O ZINC000904189175 807423533 /nfs/dbraw/zinc/42/35/33/807423533.db2.gz CVLDKUJXEHBGHK-UHFFFAOYSA-N -1 0 302.216 -0.392 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCCO[C@H](C)C1 ZINC000904936253 807427563 /nfs/dbraw/zinc/42/75/63/807427563.db2.gz JRSVHSZTNNCUBC-LLVKDONJSA-N -1 0 316.354 -0.427 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000904935594 807427717 /nfs/dbraw/zinc/42/77/17/807427717.db2.gz BCTKLBPTPLNRTQ-PHIMTYICSA-N -1 0 316.354 -0.428 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@H](C)[C@H]1C ZINC000904937258 807427780 /nfs/dbraw/zinc/42/77/80/807427780.db2.gz WSZWWYOLHWYYCH-GHMZBOCLSA-N -1 0 316.354 -0.428 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000904936269 807427805 /nfs/dbraw/zinc/42/78/05/807427805.db2.gz KDEIWIPHQBXSFS-GHMZBOCLSA-N -1 0 316.354 -0.428 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)N(CCOC)CCC(=O)[O-])CCO1 ZINC000904937832 807427811 /nfs/dbraw/zinc/42/78/11/807427811.db2.gz DBSLDXVLELYZBU-NSHDSACASA-N -1 0 316.354 -0.427 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N(C)[C@@H]1CCSC1 ZINC000904936838 807427957 /nfs/dbraw/zinc/42/79/57/807427957.db2.gz RRGMDBOZOSIHHU-SNVBAGLBSA-N -1 0 318.395 -0.100 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@H](C)CC1 ZINC000904943760 807428021 /nfs/dbraw/zinc/42/80/21/807428021.db2.gz RQTXVLNWLJHNOW-LLVKDONJSA-N -1 0 316.354 -0.427 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@H](SC)C1 ZINC000904946472 807428936 /nfs/dbraw/zinc/42/89/36/807428936.db2.gz GUSMCHJFNWVQGR-JTQLQIEISA-N -1 0 318.395 -0.100 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001328472662 807431870 /nfs/dbraw/zinc/43/18/70/807431870.db2.gz KMARCYRDLPIHOI-UHFFFAOYSA-N -1 0 309.366 -0.185 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC001328533067 807438586 /nfs/dbraw/zinc/43/85/86/807438586.db2.gz XHXYSHQRELIDQD-SSDOTTSWSA-N -1 0 307.297 -0.422 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1ccnn1CC(F)(F)F ZINC000906294774 807480586 /nfs/dbraw/zinc/48/05/86/807480586.db2.gz OYEGPWAXASQVBX-UHFFFAOYSA-N -1 0 319.247 -0.248 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1ccnn1CC1CCC1 ZINC000906292100 807481169 /nfs/dbraw/zinc/48/11/69/807481169.db2.gz XICCEYVGEGOUQP-UHFFFAOYSA-N -1 0 305.342 -0.010 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(OC)cc1 ZINC001328872380 807481631 /nfs/dbraw/zinc/48/16/31/807481631.db2.gz PMCZQPNJZSREQU-UHFFFAOYSA-N -1 0 323.349 -0.462 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCOC1CCCC1 ZINC001328902213 807485461 /nfs/dbraw/zinc/48/54/61/807485461.db2.gz YOHNHBOEJITODS-UHFFFAOYSA-N -1 0 301.343 -0.754 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCc2c1cccc2O ZINC001328916125 807486856 /nfs/dbraw/zinc/48/68/56/807486856.db2.gz RMTOWVUJQSEYCA-LLVKDONJSA-N -1 0 321.333 -0.320 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCCN(C=O)CC2)cc1C(=O)[O-] ZINC000907014434 807508112 /nfs/dbraw/zinc/50/81/12/807508112.db2.gz ONJCVBKEQCTOGT-UHFFFAOYSA-N -1 0 315.351 -0.424 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC(=O)N(C)CC2)cc1C(=O)[O-] ZINC000907042116 807508981 /nfs/dbraw/zinc/50/89/81/807508981.db2.gz UFTUMTNJUCVLEW-UHFFFAOYSA-N -1 0 315.351 -0.424 20 0 DBADRM CC(=O)N1CCC[C@@H](CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC001329119919 807525076 /nfs/dbraw/zinc/52/50/76/807525076.db2.gz DRJPXFKWLDMKBI-KOLCDFICSA-N -1 0 313.354 -0.802 20 0 DBADRM COC1(CO)CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC1 ZINC001329154898 807530080 /nfs/dbraw/zinc/53/00/80/807530080.db2.gz VLEOMACTFMMICF-JTQLQIEISA-N -1 0 316.354 -0.835 20 0 DBADRM O=C(CN1CCSC1=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907476489 807531232 /nfs/dbraw/zinc/53/12/32/807531232.db2.gz NPUGTBMJCKZSEV-SSDOTTSWSA-N -1 0 314.396 -0.015 20 0 DBADRM O=C(/C=C\CN1CCOCC1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907479793 807531328 /nfs/dbraw/zinc/53/13/28/807531328.db2.gz IHKORRYTCUOVDZ-RFMOXSJOSA-N -1 0 324.410 -0.295 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001329162900 807531671 /nfs/dbraw/zinc/53/16/71/807531671.db2.gz KSOVZFJXLAMGDV-UWVGGRQHSA-N -1 0 313.354 -0.850 20 0 DBADRM O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907473674 807531848 /nfs/dbraw/zinc/53/18/48/807531848.db2.gz DLLSOQCUCGMYCH-WPRPVWTQSA-N -1 0 322.394 -0.173 20 0 DBADRM Cn1c(=O)cccc1C(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907477215 807532053 /nfs/dbraw/zinc/53/20/53/807532053.db2.gz SQOFXJCFTNSDJJ-VIFPVBQESA-N -1 0 306.351 -0.171 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC001329364701 807555132 /nfs/dbraw/zinc/55/51/32/807555132.db2.gz OTVHMKPANKMAAB-DGCLKSJQSA-N -1 0 311.382 -0.234 20 0 DBADRM Cn1nccc1[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CCO1 ZINC000907873219 807558389 /nfs/dbraw/zinc/55/83/89/807558389.db2.gz ZQXQXFVUHYPOLY-TUAOUCFPSA-N -1 0 309.322 -0.048 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC001329470112 807572511 /nfs/dbraw/zinc/57/25/11/807572511.db2.gz QDNLVZCHKBATNA-VIFPVBQESA-N -1 0 309.326 -0.540 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)CCN1C(=O)CCNC1=S ZINC001329572522 807588110 /nfs/dbraw/zinc/58/81/10/807588110.db2.gz CIJLCHPRVCRCTR-UHFFFAOYSA-N -1 0 313.339 -0.770 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC[C@@H]1O ZINC001329608772 807592999 /nfs/dbraw/zinc/59/29/99/807592999.db2.gz OLGNVWDOBZNYRG-USZNOCQGSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC[C@H]1O ZINC001329608780 807593344 /nfs/dbraw/zinc/59/33/44/807593344.db2.gz OLGNVWDOBZNYRG-WISYIIOYSA-N -1 0 312.366 -0.215 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)[N-]OCCSC)C1 ZINC001329639885 807597101 /nfs/dbraw/zinc/59/71/01/807597101.db2.gz PYJMMVIYOYNSIZ-VIFPVBQESA-N -1 0 318.399 -0.683 20 0 DBADRM CO[C@@H]1CCN(C(=O)NC[C@@H]2COCCO2)[C@H](C(=O)[O-])C1 ZINC000908689617 807602131 /nfs/dbraw/zinc/60/21/31/807602131.db2.gz VRCNNBKYGIMVQQ-MXWKQRLJSA-N -1 0 302.327 -0.325 20 0 DBADRM CO[C@@H]1CCN(C(=O)NC[C@H]2COCCO2)[C@@H](C(=O)[O-])C1 ZINC000908689618 807602415 /nfs/dbraw/zinc/60/24/15/807602415.db2.gz VRCNNBKYGIMVQQ-OUAUKWLOSA-N -1 0 302.327 -0.325 20 0 DBADRM COCCOCCNC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC000908894970 807604372 /nfs/dbraw/zinc/60/43/72/807604372.db2.gz YQHLHWHJJHJUDW-QWRGUYRKSA-N -1 0 304.343 -0.077 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)N2CCSC[C@H]2CC(=O)[O-])cn1 ZINC000909012000 807606643 /nfs/dbraw/zinc/60/66/43/807606643.db2.gz XYFHFNPNNNDGPG-GHMZBOCLSA-N -1 0 313.379 -0.258 20 0 DBADRM COCC1(CNC(=O)N2CCOC[C@@H]2C(=O)[O-])CCOCC1 ZINC000909164152 807608566 /nfs/dbraw/zinc/60/85/66/807608566.db2.gz UZWSFSSNHULKFV-LLVKDONJSA-N -1 0 316.354 -0.075 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)NC[C@@]1(OC)CCOC1 ZINC000909190356 807611107 /nfs/dbraw/zinc/61/11/07/807611107.db2.gz NVRJCVKKEVNZBF-GWCFXTLKSA-N -1 0 304.343 -0.077 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@@H]2CSCCS2)nn1 ZINC000909816242 807617706 /nfs/dbraw/zinc/61/77/06/807617706.db2.gz AJQOJXXTSHTEON-QMMMGPOBSA-N -1 0 302.381 -0.059 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cnc(C)s1 ZINC001329810571 807622767 /nfs/dbraw/zinc/62/27/67/807622767.db2.gz JNAMADIISMKBKK-UHFFFAOYSA-N -1 0 300.340 -0.748 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)O[C@@H](CC)C1 ZINC001329864098 807634031 /nfs/dbraw/zinc/63/40/31/807634031.db2.gz XUYFYWDBZIAZRT-ZJUUUORDSA-N -1 0 301.343 -0.804 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC001329865762 807634864 /nfs/dbraw/zinc/63/48/64/807634864.db2.gz FVYHPPPIUKVATJ-NSHDSACASA-N -1 0 305.281 -0.572 20 0 DBADRM C[C@@H](NC(=O)C(=O)N=c1nc[nH]n1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001329951192 807647084 /nfs/dbraw/zinc/64/70/84/807647084.db2.gz QNEUAMONDFLSFC-HRDYMLBCSA-N -1 0 323.353 -0.573 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000923153096 807650831 /nfs/dbraw/zinc/65/08/31/807650831.db2.gz OCIQXEBXGZHMED-OPRDCNLKSA-N -1 0 304.368 -0.268 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN(C)S(=O)(=O)N(C)C ZINC000923155576 807651362 /nfs/dbraw/zinc/65/13/62/807651362.db2.gz NHKYHYZHJMSWDV-NXEZZACHSA-N -1 0 321.399 -0.564 20 0 DBADRM COCCOCC(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001329971955 807651802 /nfs/dbraw/zinc/65/18/02/807651802.db2.gz OTUNIBQWXJZNBI-SECBINFHSA-N -1 0 313.358 -0.890 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CCCCC(N)=O ZINC001329989855 807655140 /nfs/dbraw/zinc/65/51/40/807655140.db2.gz AKNCHOYTMAWNCR-UHFFFAOYSA-N -1 0 316.383 -0.112 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H](C)c1nnnn1C1CC1 ZINC001329995713 807655791 /nfs/dbraw/zinc/65/57/91/807655791.db2.gz NJRJNITWENUKRL-MRVPVSSYSA-N -1 0 312.330 -0.731 20 0 DBADRM COc1cc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])sn1 ZINC000923251108 807656263 /nfs/dbraw/zinc/65/62/63/807656263.db2.gz XZGOQJNUFVWMNH-MRVPVSSYSA-N -1 0 306.365 -0.165 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923732661 807707997 /nfs/dbraw/zinc/70/79/97/807707997.db2.gz WELOMEVKKUDZLQ-DVVUODLYSA-N -1 0 318.395 -0.165 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H]1CCC2(CCOCC2)CO1 ZINC000924001482 807710335 /nfs/dbraw/zinc/71/03/35/807710335.db2.gz RVWWXYHYCRVCOX-NSHDSACASA-N -1 0 315.370 -0.061 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)CS(C)(=O)=O)ccc1[O-] ZINC001330490237 807722862 /nfs/dbraw/zinc/72/28/62/807722862.db2.gz ZHLLMLSBMIAAIH-UHFFFAOYSA-N -1 0 322.364 -0.717 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C)C(=O)[O-] ZINC001330503631 807724481 /nfs/dbraw/zinc/72/44/81/807724481.db2.gz BZLUSCWCUUJHGZ-APPZFPTMSA-N -1 0 310.310 -0.201 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC001330506594 807725383 /nfs/dbraw/zinc/72/53/83/807725383.db2.gz PWDOYPONOCUFCN-RKDXNWHRSA-N -1 0 307.306 -0.005 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)N[C@H]1CCCn2nccc21 ZINC001330534819 807730313 /nfs/dbraw/zinc/73/03/13/807730313.db2.gz UYZBCVYOWVKECD-QWRGUYRKSA-N -1 0 308.338 -0.082 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@H]1CCCn2nccc21 ZINC001330534816 807730497 /nfs/dbraw/zinc/73/04/97/807730497.db2.gz UYZBCVYOWVKECD-MNOVXSKESA-N -1 0 308.338 -0.082 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](CCF)C1 ZINC001330647382 807740862 /nfs/dbraw/zinc/74/08/62/807740862.db2.gz ZUCOSIZQGWTUHW-SNVBAGLBSA-N -1 0 303.334 -0.232 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[C@@H]1CCCS1 ZINC001330809459 807751356 /nfs/dbraw/zinc/75/13/56/807751356.db2.gz DRLZNUXAUDGLGK-VIFPVBQESA-N -1 0 303.384 -0.428 20 0 DBADRM COC[C@H]1COCCN1C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000926275385 807756493 /nfs/dbraw/zinc/75/64/93/807756493.db2.gz AYKAMFRICSFYAO-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CO)C[C@H]1C1CC1 ZINC000926321831 807759870 /nfs/dbraw/zinc/75/98/70/807759870.db2.gz OTFUIAMTKYANEZ-SDDRHHMPSA-N -1 0 310.350 -0.461 20 0 DBADRM CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001331046363 807765711 /nfs/dbraw/zinc/76/57/11/807765711.db2.gz LOEVLQMMKBTNDY-TUAOUCFPSA-N -1 0 311.382 -0.044 20 0 DBADRM CN1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC000926441509 807770744 /nfs/dbraw/zinc/77/07/44/807770744.db2.gz AZXSHFQXJFAHAJ-NWDGAFQWSA-N -1 0 309.366 -0.670 20 0 DBADRM CCN(CC)C(=O)N1CCN(C(=O)NCC(=O)[N-]OC)CC1 ZINC000927204028 807783748 /nfs/dbraw/zinc/78/37/48/807783748.db2.gz GRWFXJZNFKOYGW-UHFFFAOYSA-N -1 0 315.374 -0.547 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000927207714 807783971 /nfs/dbraw/zinc/78/39/71/807783971.db2.gz MDWTXRHLHLXLIR-SNVBAGLBSA-N -1 0 300.359 -0.390 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000927212099 807784336 /nfs/dbraw/zinc/78/43/36/807784336.db2.gz IELVBKJHNUEHQJ-UHFFFAOYSA-N -1 0 312.370 -0.150 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000927213310 807784359 /nfs/dbraw/zinc/78/43/59/807784359.db2.gz ATMUVABQCFFLLC-GWCFXTLKSA-N -1 0 301.343 -0.357 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000927212311 807784515 /nfs/dbraw/zinc/78/45/15/807784515.db2.gz SGZQNUHPZGIGGU-UHFFFAOYSA-N -1 0 324.385 -0.685 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000927211646 807784604 /nfs/dbraw/zinc/78/46/04/807784604.db2.gz PNKGGAXNRCQYGL-MNOVXSKESA-N -1 0 300.359 -0.974 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(c2ccc(OC)cn2)CC1 ZINC000927215197 807786149 /nfs/dbraw/zinc/78/61/49/807786149.db2.gz BHRXENXJQXNSMU-UHFFFAOYSA-N -1 0 323.353 -0.401 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)[N-]OCCN2CCCC2=O)c1C ZINC001331280058 807786204 /nfs/dbraw/zinc/78/62/04/807786204.db2.gz KSUUGMBXDOEIOB-UHFFFAOYSA-N -1 0 308.338 -0.319 20 0 DBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)CC[C@H]2CCCO2)CC1 ZINC001331553270 807796295 /nfs/dbraw/zinc/79/62/95/807796295.db2.gz TTYNKYGRXFEQTO-SECBINFHSA-N -1 0 305.352 -0.045 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@H]2C(F)(F)F)CCO1 ZINC000927963578 807800669 /nfs/dbraw/zinc/80/06/69/807800669.db2.gz NHNFLHOGDQMKNN-RNJXMRFFSA-N -1 0 324.255 -0.387 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])c(OC)c1 ZINC001331665631 807812804 /nfs/dbraw/zinc/81/28/04/807812804.db2.gz MBVBKUFGXQITME-UHFFFAOYSA-N -1 0 323.305 -0.416 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](F)(CO)C2)CC[C@H]1C(=O)[O-] ZINC001331762088 807827153 /nfs/dbraw/zinc/82/71/53/807827153.db2.gz JJGYDLTWTBXBQR-RULNRJAQSA-N -1 0 316.329 -0.512 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1ccc(=O)[nH]n1 ZINC001038034923 815152060 /nfs/dbraw/zinc/15/20/60/815152060.db2.gz CWGGPEVALWWOIP-ZETCQYMHSA-N -1 0 305.298 -0.990 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001331883398 807847003 /nfs/dbraw/zinc/84/70/03/807847003.db2.gz RQUJWPOVPCKNBB-YFKPBYRVSA-N -1 0 304.196 -0.386 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1C[C@@H]2COC[C@@H]2C1)C(=O)[O-] ZINC001332165841 807879666 /nfs/dbraw/zinc/87/96/66/807879666.db2.gz FDPMPZLZLUFTAP-SDDRHHMPSA-N -1 0 312.366 -0.046 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC2(CC3CC3)CC2)CCO1 ZINC001332197216 807883025 /nfs/dbraw/zinc/88/30/25/807883025.db2.gz HVSCZHPHFVZPND-NSHDSACASA-N -1 0 310.350 -0.005 20 0 DBADRM C[C@H]1[C@H](NC(=O)C2(C(N)=O)CC2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001332200199 807883161 /nfs/dbraw/zinc/88/31/61/807883161.db2.gz SIQZGLUUVIQGBE-DTWKUNHWSA-N -1 0 322.369 -0.755 20 0 DBADRM COCCOCCN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001332225633 807887529 /nfs/dbraw/zinc/88/75/29/807887529.db2.gz TZMMXBHGBIIGLI-NEPJUHHUSA-N -1 0 300.355 -0.486 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)c1cc[n+]([O-])cc1 ZINC001332338277 807901637 /nfs/dbraw/zinc/90/16/37/807901637.db2.gz BPRJWANLRKNABP-SNVBAGLBSA-N -1 0 300.336 -0.194 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1cc2n(n1)CCN(C)C2 ZINC001332410009 807914024 /nfs/dbraw/zinc/91/40/24/807914024.db2.gz RQSHRVOVCPBGLC-UHFFFAOYSA-N -1 0 311.342 -0.649 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)C[C@H]1C1CC1 ZINC001332418404 807915477 /nfs/dbraw/zinc/91/54/77/807915477.db2.gz OMSPUUZFZGLUFB-QNWHQSFQSA-N -1 0 322.361 -0.340 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC[C@@H]1O ZINC001332446622 807920409 /nfs/dbraw/zinc/92/04/09/807920409.db2.gz LDPOLEBOFANYDY-SYEHKZFSSA-N -1 0 324.377 -0.215 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2[C@@H](C)C(=O)NC2CC2)c1[O-] ZINC001038162894 815160573 /nfs/dbraw/zinc/16/05/73/815160573.db2.gz ZYRQFWBRAQITKE-GXSJLCMTSA-N -1 0 321.381 -0.105 20 0 DBADRM CO[N-]C(=O)CNC(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000931794934 807936957 /nfs/dbraw/zinc/93/69/57/807936957.db2.gz CVHMDAHHWJIUST-UHFFFAOYSA-N -1 0 315.351 -0.933 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCN1CCc2ccccc21 ZINC000932452899 807969146 /nfs/dbraw/zinc/96/91/46/807969146.db2.gz DGAXCPXVQHXNBF-UHFFFAOYSA-N -1 0 307.350 -0.141 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000932733344 807977884 /nfs/dbraw/zinc/97/78/84/807977884.db2.gz VITBMYHRUNQRON-OWUUHHOZSA-N -1 0 302.327 -0.521 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC001332792002 807979024 /nfs/dbraw/zinc/97/90/24/807979024.db2.gz WBQQDNJOOXEMHG-MRVPVSSYSA-N -1 0 307.297 -0.136 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](CC)[C@@H]1CCCO1 ZINC001332803071 807980627 /nfs/dbraw/zinc/98/06/27/807980627.db2.gz OMALLBXBQKEVKD-ZJUUUORDSA-N -1 0 301.343 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](CC)[C@@H]1CCCO1 ZINC001332803069 807980682 /nfs/dbraw/zinc/98/06/82/807980682.db2.gz OMALLBXBQKEVKD-UWVGGRQHSA-N -1 0 301.343 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1scnc1C ZINC001332843659 807986739 /nfs/dbraw/zinc/98/67/39/807986739.db2.gz QLVFAOYATGDXRW-UHFFFAOYSA-N -1 0 314.367 -0.406 20 0 DBADRM COCCOCCC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC001332888578 807993143 /nfs/dbraw/zinc/99/31/43/807993143.db2.gz FAEZBHIUMLRBID-UHFFFAOYSA-N -1 0 305.356 -0.581 20 0 DBADRM CC(=O)N(C)C1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC001332946571 807999949 /nfs/dbraw/zinc/99/99/49/807999949.db2.gz WQUSZCHOWXUHSR-VIFPVBQESA-N -1 0 313.354 -0.707 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCC1Cc2ccccc2C1 ZINC001332949845 808000026 /nfs/dbraw/zinc/00/00/26/808000026.db2.gz YYOCUUFFZHMGBP-UHFFFAOYSA-N -1 0 319.361 -0.299 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC001333148011 808021007 /nfs/dbraw/zinc/02/10/07/808021007.db2.gz WWYMQZQIBOUQPY-RYUDHWBXSA-N -1 0 305.334 -0.300 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H](CF)c1ccc(F)cc1 ZINC001333202780 808027023 /nfs/dbraw/zinc/02/70/23/808027023.db2.gz HBVDHNIAXBHJKJ-SNVBAGLBSA-N -1 0 315.276 -0.254 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC001333202779 808027041 /nfs/dbraw/zinc/02/70/41/808027041.db2.gz HBVDHNIAXBHJKJ-JTQLQIEISA-N -1 0 315.276 -0.254 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(C(=O)CO)CC2)cc1=O ZINC000935110142 808034974 /nfs/dbraw/zinc/03/49/74/808034974.db2.gz DFFUGIPNQUSRBE-UHFFFAOYSA-N -1 0 324.381 -0.962 20 0 DBADRM COCCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001333299324 808041114 /nfs/dbraw/zinc/04/11/14/808041114.db2.gz OVIVWHWVQPQQHN-UHFFFAOYSA-N -1 0 303.359 -0.549 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC001333346162 808047146 /nfs/dbraw/zinc/04/71/46/808047146.db2.gz GOOKAMZADCBRPQ-BJDJZHNGSA-N -1 0 310.350 -0.149 20 0 DBADRM C/C(=C/C(=O)N1CCO[C@@](C)(C(=O)[O-])C1)CN1CCOCC1 ZINC001333350508 808047755 /nfs/dbraw/zinc/04/77/55/808047755.db2.gz NKNOYBAJQRZVGM-HMVFGEFZSA-N -1 0 312.366 -0.033 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](SC)C(C)(C)C ZINC001333512156 808069917 /nfs/dbraw/zinc/06/99/17/808069917.db2.gz VHXOWRBGBYYRHS-MRVPVSSYSA-N -1 0 305.400 -0.326 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])CCC(=O)N1 ZINC001333516626 808070892 /nfs/dbraw/zinc/07/08/92/808070892.db2.gz OKDFDGBANYLJCY-AWEZNQCLSA-N -1 0 320.305 -0.497 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c2ncnn21 ZINC001333531591 808072048 /nfs/dbraw/zinc/07/20/48/808072048.db2.gz BSZLMTWAWKETBP-QEYWKRMJSA-N -1 0 321.337 -0.230 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c2ncnn21 ZINC001333531592 808072219 /nfs/dbraw/zinc/07/22/19/808072219.db2.gz BSZLMTWAWKETBP-RGOKHQFPSA-N -1 0 321.337 -0.230 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC001333659409 808086492 /nfs/dbraw/zinc/08/64/92/808086492.db2.gz YDYHSNXFIGXUHN-CYBMUJFWSA-N -1 0 311.382 -0.232 20 0 DBADRM COc1cc(C(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)C2)on1 ZINC000938238119 808086690 /nfs/dbraw/zinc/08/66/90/808086690.db2.gz RBYIQPLRYWSKPZ-ZETCQYMHSA-N -1 0 306.282 -0.554 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2C[C@H]2C2CC2)C1 ZINC001333831296 808101671 /nfs/dbraw/zinc/10/16/71/808101671.db2.gz VKBGLTBGNBQMMD-FIXISWKDSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC001333848075 808103323 /nfs/dbraw/zinc/10/33/23/808103323.db2.gz VKJKSMOSFMOOJJ-HRDYMLBCSA-N -1 0 320.292 -0.152 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCO[C@H](C(F)F)CC1 ZINC001333848077 808103680 /nfs/dbraw/zinc/10/36/80/808103680.db2.gz VKJKSMOSFMOOJJ-YIZRAAEISA-N -1 0 320.292 -0.152 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CO[C@@H](C3CC3)C2)C1 ZINC001333845862 808103754 /nfs/dbraw/zinc/10/37/54/808103754.db2.gz WBOZLGUMRQPHPU-IJLUTSLNSA-N -1 0 310.350 -0.007 20 0 DBADRM CC(=O)N[C@@H]1CCCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000943016776 808108005 /nfs/dbraw/zinc/10/80/05/808108005.db2.gz UJHKCTBLUAHBTM-SNVBAGLBSA-N -1 0 308.338 -0.383 20 0 DBADRM O=C(N[C@H]1CCCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000943018347 808108038 /nfs/dbraw/zinc/10/80/38/808108038.db2.gz VQHNAKXBAHSKDC-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(N1CCC(O)(c2nnn[n-]2)CC1)C1(Br)CC1 ZINC001334138189 808135795 /nfs/dbraw/zinc/13/57/95/808135795.db2.gz CEYJJGXVLUPPGU-UHFFFAOYSA-N -1 0 316.159 -0.063 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)CC[C@@H]2CCCO2)C1=O ZINC001334341540 808154267 /nfs/dbraw/zinc/15/42/67/808154267.db2.gz BHADASCFOLKILJ-UWVGGRQHSA-N -1 0 304.368 -0.520 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C=C1CCC1 ZINC001334417620 808162511 /nfs/dbraw/zinc/16/25/11/808162511.db2.gz VSVZQGZSFPRHID-QMMMGPOBSA-N -1 0 321.337 -0.030 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C=C1CCC1 ZINC001334417619 808162738 /nfs/dbraw/zinc/16/27/38/808162738.db2.gz VSVZQGZSFPRHID-MRVPVSSYSA-N -1 0 321.337 -0.030 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N(C)Cc1cccc(OC)c1 ZINC001334486554 808170335 /nfs/dbraw/zinc/17/03/35/808170335.db2.gz HMWOYIDGGVTHLG-UHFFFAOYSA-N -1 0 306.326 -0.004 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2ccsc2[C@@H]1C ZINC001334513445 808174958 /nfs/dbraw/zinc/17/49/58/808174958.db2.gz YOLXVJMXTGBFRD-QMMMGPOBSA-N -1 0 311.363 -0.012 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCC(C)(COC)CC1 ZINC001334598562 808182161 /nfs/dbraw/zinc/18/21/61/808182161.db2.gz ZJMCMADGIFPHLB-UHFFFAOYSA-N -1 0 312.374 -0.006 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCC([C@H]2CCOC2)CC1 ZINC001334598145 808182194 /nfs/dbraw/zinc/18/21/94/808182194.db2.gz WIOUPAGCHVHUKT-LBPRGKRZSA-N -1 0 324.385 -0.006 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001334598142 808182391 /nfs/dbraw/zinc/18/23/91/808182391.db2.gz WIOUPAGCHVHUKT-GFCCVEGCSA-N -1 0 324.385 -0.006 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001334597097 808182533 /nfs/dbraw/zinc/18/25/33/808182533.db2.gz LSKCNBMECZQTOA-ZETCQYMHSA-N -1 0 324.263 -0.492 20 0 DBADRM CC(C)=CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000947316893 808184148 /nfs/dbraw/zinc/18/41/48/808184148.db2.gz XTTSYLSGDCKBBH-RKDXNWHRSA-N -1 0 321.337 -0.174 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)Cn2nccn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947351715 808186440 /nfs/dbraw/zinc/18/64/40/808186440.db2.gz FENQCFFMMAUFRE-UWVGGRQHSA-N -1 0 320.357 -0.729 20 0 DBADRM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038367637 815182879 /nfs/dbraw/zinc/18/28/79/815182879.db2.gz MAUHEDCHJYPWOQ-QXEWZRGKSA-N -1 0 311.342 -0.995 20 0 DBADRM O=C([N-]OCCC(F)(F)F)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001334808882 808203910 /nfs/dbraw/zinc/20/39/10/808203910.db2.gz SSBIVASPTNUVPJ-ZCFIWIBFSA-N -1 0 318.273 -0.710 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1 ZINC000947606388 808206463 /nfs/dbraw/zinc/20/64/63/808206463.db2.gz CSIZRAQLKGTJNJ-VXNVDRBHSA-N -1 0 320.357 -0.280 20 0 DBADRM CC(=O)NCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001334891759 808210609 /nfs/dbraw/zinc/21/06/09/808210609.db2.gz ZAQVVAPDXVQNLP-UHFFFAOYSA-N -1 0 300.340 -0.681 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)c1cccc(F)c1F ZINC001334925556 808213172 /nfs/dbraw/zinc/21/31/72/808213172.db2.gz QEZCSMNEXUQRNH-SSDOTTSWSA-N -1 0 315.276 -0.064 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001335040543 808226881 /nfs/dbraw/zinc/22/68/81/808226881.db2.gz HWOFDFUKPFKHGO-NWDGAFQWSA-N -1 0 324.385 -0.006 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC[C@@H](OCC2CC2)C1 ZINC001335041510 808227075 /nfs/dbraw/zinc/22/70/75/808227075.db2.gz SALHVFQYXRJBOH-LLVKDONJSA-N -1 0 310.358 -0.254 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1c(F)cc(F)cc1F ZINC001335106219 808237362 /nfs/dbraw/zinc/23/73/62/808237362.db2.gz ZPKZHKFDBYMILO-UHFFFAOYSA-N -1 0 319.239 -0.486 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCc2cn(C)cn2)CC[C@@H]1C(=O)[O-] ZINC001335215934 808255813 /nfs/dbraw/zinc/25/58/13/808255813.db2.gz HOMWKRJXKMNLAT-PWSUYJOCSA-N -1 0 322.365 -0.352 20 0 DBADRM COc1ccc(CCNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])cn1 ZINC001335216353 808257021 /nfs/dbraw/zinc/25/70/21/808257021.db2.gz KIYZIXBDRIXBAW-SNVBAGLBSA-N -1 0 323.349 -0.072 20 0 DBADRM CC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])CC[C@@H]1NC(=O)C(N)=O ZINC000948380913 808281454 /nfs/dbraw/zinc/28/14/54/808281454.db2.gz ZJPOQEIVMFNIKG-BDAKNGLRSA-N -1 0 323.353 -0.734 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001335380952 808283350 /nfs/dbraw/zinc/28/33/50/808283350.db2.gz VIEMBMROAHJEIX-ONGXEEELSA-N -1 0 313.354 -0.850 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cn(C)nn2)CC[C@H]1C(=O)[O-] ZINC001335382093 808283836 /nfs/dbraw/zinc/28/38/36/808283836.db2.gz ZQMRWDPIWSGLOK-MWLCHTKSSA-N -1 0 323.353 -0.657 20 0 DBADRM CC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@@H]1NC(C)=O ZINC000948492826 808290214 /nfs/dbraw/zinc/29/02/14/808290214.db2.gz RYUHRESWUUKRPG-IUCAKERBSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC001335466238 808291551 /nfs/dbraw/zinc/29/15/51/808291551.db2.gz SYNZOENPUMJHFL-HFAKWTLXSA-N -1 0 309.366 -0.480 20 0 DBADRM COc1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)ccn1 ZINC001038440545 815192917 /nfs/dbraw/zinc/19/29/17/815192917.db2.gz DNIVNCREWGZIDW-SNVBAGLBSA-N -1 0 318.337 -0.082 20 0 DBADRM CN(C(=O)c1cn[nH]n1)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948578926 808303231 /nfs/dbraw/zinc/30/32/31/808303231.db2.gz LJBBOIVPGXRJKP-SECBINFHSA-N -1 0 320.357 -0.245 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1CC[C@H]1CNC(=O)C1CC1 ZINC000948613751 808306925 /nfs/dbraw/zinc/30/69/25/808306925.db2.gz TYDXTGLCORNKSF-VIFPVBQESA-N -1 0 321.337 -0.658 20 0 DBADRM C[C@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC001335688999 808311147 /nfs/dbraw/zinc/31/11/47/808311147.db2.gz BLMPSKXSKXDRKE-NHYWBVRUSA-N -1 0 312.366 -0.069 20 0 DBADRM CN(Cc1nccn1C)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001335689079 808311222 /nfs/dbraw/zinc/31/12/22/808311222.db2.gz CJWYVQFMVCJNMG-SNVBAGLBSA-N -1 0 308.338 -0.298 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]1CNC(=O)c1ccco1 ZINC000948702311 808319173 /nfs/dbraw/zinc/31/91/73/808319173.db2.gz AJNJSGMSLORVLP-QMMMGPOBSA-N -1 0 321.293 -0.687 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC[C@@H](CSC)C1 ZINC001335863866 808326904 /nfs/dbraw/zinc/32/69/04/808326904.db2.gz JWYLRODFSSQIJF-SECBINFHSA-N -1 0 300.388 -0.070 20 0 DBADRM CCc1n[nH]cc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038455915 815195795 /nfs/dbraw/zinc/19/57/95/815195795.db2.gz IVMGYJLRCQTBDA-MRVPVSSYSA-N -1 0 305.342 -0.200 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCO[C@@](C)(C2CC2)C1 ZINC001335900515 808329389 /nfs/dbraw/zinc/32/93/89/808329389.db2.gz LZZCZLCWUKHJTC-CYBMUJFWSA-N -1 0 310.358 -0.254 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1cncs1)c1n[nH]c(=O)[n-]c1=O ZINC001038459308 815196283 /nfs/dbraw/zinc/19/62/83/815196283.db2.gz PLHQMHCPXUCNAI-SSDOTTSWSA-N -1 0 322.350 -0.256 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC001335999732 808335650 /nfs/dbraw/zinc/33/56/50/808335650.db2.gz BDISXDPKCUPQQV-IACUBPJLSA-N -1 0 317.345 -0.375 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1ccon1)c1n[nH]c(=O)[n-]c1=O ZINC001038459826 815196594 /nfs/dbraw/zinc/19/65/94/815196594.db2.gz RMKVQZBJWXVHMF-QMMMGPOBSA-N -1 0 306.282 -0.725 20 0 DBADRM Cc1[nH]c(C=O)cc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001336055016 808339686 /nfs/dbraw/zinc/33/96/86/808339686.db2.gz WBNSTCLRNLIHFZ-JTQLQIEISA-N -1 0 314.319 -0.541 20 0 DBADRM Cc1[nH]c(C=O)cc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001336055026 808339807 /nfs/dbraw/zinc/33/98/07/808339807.db2.gz WBNSTCLRNLIHFZ-SNVBAGLBSA-N -1 0 314.319 -0.541 20 0 DBADRM CCc1c[nH]c(CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000948846435 808343272 /nfs/dbraw/zinc/34/32/72/808343272.db2.gz KSMSBRCUVPRCJB-UHFFFAOYSA-N -1 0 319.369 -0.317 20 0 DBADRM Cn1cc(CN2CC[C@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)cn1 ZINC001038466048 815197579 /nfs/dbraw/zinc/19/75/79/815197579.db2.gz QGWKLHDQBPIQOK-VIFPVBQESA-N -1 0 319.325 -0.979 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1ccccn1)c1n[nH]c(=O)[n-]c1=O ZINC001038464231 815197827 /nfs/dbraw/zinc/19/78/27/815197827.db2.gz BTLWHZBPNMCGLM-JTQLQIEISA-N -1 0 316.321 -0.318 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCC[C@@H]1CC(=O)N(C)C1 ZINC001336201092 808352547 /nfs/dbraw/zinc/35/25/47/808352547.db2.gz SKVJEHCYKRSTIM-SNVBAGLBSA-N -1 0 301.343 -0.945 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)NCC1(SC)CC1 ZINC001336271200 808357729 /nfs/dbraw/zinc/35/77/29/808357729.db2.gz UYHYTFYKRAEFDR-UHFFFAOYSA-N -1 0 318.395 -0.052 20 0 DBADRM CO[C@@H]1CC[C@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC000948954762 808365119 /nfs/dbraw/zinc/36/51/19/808365119.db2.gz RLFXVSMOKGJZRE-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM CO[C@H]1CC[C@@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC000948954758 808365373 /nfs/dbraw/zinc/36/53/73/808365373.db2.gz RLFXVSMOKGJZRE-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(c1n[nH]c2c1CCC2)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949063075 808387020 /nfs/dbraw/zinc/38/70/20/808387020.db2.gz KWRDUDGDZJIQDP-UHFFFAOYSA-N -1 0 317.353 -0.320 20 0 DBADRM COc1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1C ZINC001038506904 815202657 /nfs/dbraw/zinc/20/26/57/815202657.db2.gz NEGIKZKMUOGQSD-QMMMGPOBSA-N -1 0 321.341 -0.743 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cccn(CC(F)(F)F)c1=O ZINC001336903326 808423377 /nfs/dbraw/zinc/42/33/77/808423377.db2.gz JXWCHNVVPLFEOR-UHFFFAOYSA-N -1 0 307.228 -0.182 20 0 DBADRM Cc1nccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cn[nH]n3)C2)n1 ZINC000949264715 808432242 /nfs/dbraw/zinc/43/22/42/808432242.db2.gz XTIKQYPVBJLLMI-PRHODGIISA-N -1 0 315.337 -0.206 20 0 DBADRM CC1CC(C(=O)NC[C@@H]2CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000949340839 808440412 /nfs/dbraw/zinc/44/04/12/808440412.db2.gz CGHDYNZEDJKMQL-HACHORDNSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCO[C@@H](CCF)C1 ZINC001337274962 808445438 /nfs/dbraw/zinc/44/54/38/808445438.db2.gz KAGHEOQZQPYEKA-GUBZILKMSA-N -1 0 302.302 -0.447 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC3(CCC3)CO2)C1 ZINC001337298684 808446462 /nfs/dbraw/zinc/44/64/62/808446462.db2.gz NPVONTMFGMMJNQ-GHMZBOCLSA-N -1 0 310.350 -0.005 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CC=CC1 ZINC001337345212 808448979 /nfs/dbraw/zinc/44/89/79/808448979.db2.gz XHLYEYWQPJWCIL-SECBINFHSA-N -1 0 323.353 -0.381 20 0 DBADRM NC(=O)c1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)co1 ZINC001038557103 815207145 /nfs/dbraw/zinc/20/71/45/815207145.db2.gz ZRWRJYHJRSYCDX-QMMMGPOBSA-N -1 0 320.309 -0.794 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2cnccn2)c1[O-] ZINC000949424636 808458610 /nfs/dbraw/zinc/45/86/10/808458610.db2.gz BSBVCJOKPKSHEK-SECBINFHSA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2ccnn2C)c1[O-] ZINC000949425195 808458778 /nfs/dbraw/zinc/45/87/78/808458778.db2.gz IDHYRDNGHVLZHE-VIFPVBQESA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)C(C)(C)C(N)=O)c1[O-] ZINC000949429401 808460076 /nfs/dbraw/zinc/46/00/76/808460076.db2.gz BAXLAWDGPKADNF-MRVPVSSYSA-N -1 0 323.353 -0.734 20 0 DBADRM C[C@H]1OCC[C@]1(C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949448510 808463978 /nfs/dbraw/zinc/46/39/78/808463978.db2.gz WLETZGOVDOMXCC-YGRLFVJLSA-N -1 0 309.370 -0.030 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC[C@@H](OC2CCC2)C1 ZINC001337577999 808470314 /nfs/dbraw/zinc/47/03/14/808470314.db2.gz LYXDUEYNLGCSDU-LLVKDONJSA-N -1 0 310.358 -0.111 20 0 DBADRM CO[C@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1CCC1 ZINC000949519885 808476710 /nfs/dbraw/zinc/47/67/10/808476710.db2.gz RDNPKHAGEDAVHL-LBPRGKRZSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1noc(CCC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000949564294 808486700 /nfs/dbraw/zinc/48/67/00/808486700.db2.gz JZMNURIDPUVUMY-UHFFFAOYSA-N -1 0 321.341 -0.521 20 0 DBADRM CC(=O)N1CCC[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000949577435 808489529 /nfs/dbraw/zinc/48/95/29/808489529.db2.gz WLJIVWCAQNTKDR-SNVBAGLBSA-N -1 0 318.337 -0.802 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCCN(C(=O)C(F)F)C1 ZINC000949596627 808491665 /nfs/dbraw/zinc/49/16/65/808491665.db2.gz JBTNAUBJNUUGMP-LURJTMIESA-N -1 0 319.268 -0.938 20 0 DBADRM COc1ccnc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1 ZINC000949602924 808492740 /nfs/dbraw/zinc/49/27/40/808492740.db2.gz VOIUSFKBWPBLOU-UHFFFAOYSA-N -1 0 318.337 -0.128 20 0 DBADRM CC[C@@H](F)CN1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000949609766 808495023 /nfs/dbraw/zinc/49/50/23/808495023.db2.gz LWTWIBHBJLSBSC-SNVBAGLBSA-N -1 0 312.345 -0.008 20 0 DBADRM O=C(N[C@@H]1CCCN(C(=O)C2CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000949625721 808500399 /nfs/dbraw/zinc/50/03/99/808500399.db2.gz SVNYPQAIEKPGTN-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM CCn1nccc1S(=O)(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC001338177977 808523457 /nfs/dbraw/zinc/52/34/57/808523457.db2.gz OCDKHQWWDBNLPB-UHFFFAOYSA-N -1 0 323.338 -0.257 20 0 DBADRM CN(C)C(=O)OCCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001338257177 808528502 /nfs/dbraw/zinc/52/85/02/808528502.db2.gz ONXZRAUNWDKYHI-UHFFFAOYSA-N -1 0 309.282 -0.687 20 0 DBADRM CCCC(=O)N1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000949743022 808529048 /nfs/dbraw/zinc/52/90/48/808529048.db2.gz PUVVNLDWJKWJSL-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2ncc[nH]2)c1[O-] ZINC000949827284 808549558 /nfs/dbraw/zinc/54/95/58/808549558.db2.gz GYICVFMHIYBKBZ-QMMMGPOBSA-N -1 0 304.310 -0.209 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(Cc2cn(C)nn2)C1 ZINC000949900169 808561594 /nfs/dbraw/zinc/56/15/94/808561594.db2.gz KOKKIVWGTBUTEJ-UHFFFAOYSA-N -1 0 319.369 -0.101 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN([C@@H](C)C(=O)NC)C1 ZINC000949899873 808561716 /nfs/dbraw/zinc/56/17/16/808561716.db2.gz FRKZHQFNDVCYPM-VIFPVBQESA-N -1 0 309.370 -0.295 20 0 DBADRM O=C(c1cnn2cccnc12)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001338838846 808568989 /nfs/dbraw/zinc/56/89/89/808568989.db2.gz ATSPUGOQOURFPX-VIFPVBQESA-N -1 0 300.282 -0.544 20 0 DBADRM CCN(C(=O)c1ccc(C)nn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950052019 808580699 /nfs/dbraw/zinc/58/06/99/808580699.db2.gz CPTBUKWPDBONRR-UHFFFAOYSA-N -1 0 317.353 -0.045 20 0 DBADRM CCN(C(=O)c1cnnn1CC)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950035386 808580812 /nfs/dbraw/zinc/58/08/12/808580812.db2.gz WQOKCQUMQZIROL-UHFFFAOYSA-N -1 0 320.357 -0.532 20 0 DBADRM CCC(=O)N1CC[C@@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC000950042703 808580827 /nfs/dbraw/zinc/58/08/27/808580827.db2.gz MPULQZJNLCFRPJ-SECBINFHSA-N -1 0 303.322 -0.237 20 0 DBADRM CC(C)OCCOC[C@@H](O)CN(C)C(=O)c1n[nH]c(=O)[n-]1 ZINC001339907092 808610044 /nfs/dbraw/zinc/61/00/44/808610044.db2.gz KVRGNVGEOAUSBJ-VIFPVBQESA-N -1 0 302.331 -0.615 20 0 DBADRM CN(C[C@H]1CCCO1)C(=O)NCCOCCOCC(=O)[O-] ZINC001339945228 808610660 /nfs/dbraw/zinc/61/06/60/808610660.db2.gz IGXUJFXYPIRBQS-LLVKDONJSA-N -1 0 304.343 -0.075 20 0 DBADRM Cc1c([C@H](C)NC(=O)C(=O)[N-]OC[C@H]2CCOC2)cnn1C ZINC001340634581 808648819 /nfs/dbraw/zinc/64/88/19/808648819.db2.gz FOLYLITUEQOXMX-ONGXEEELSA-N -1 0 310.354 -0.010 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](NC(=O)c3cnon3)C2)c1[O-] ZINC000950459024 808650009 /nfs/dbraw/zinc/65/00/09/808650009.db2.gz KOEOTWQPXHUUOX-MRVPVSSYSA-N -1 0 320.309 -0.159 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCc2cc(C)ccc21 ZINC001340937291 808664037 /nfs/dbraw/zinc/66/40/37/808664037.db2.gz VVBAHBKIPNYHMG-GFCCVEGCSA-N -1 0 305.334 -0.108 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCCc1ccccc1F ZINC001341095805 808669726 /nfs/dbraw/zinc/66/97/26/808669726.db2.gz YESQAEBTDCGLMH-UHFFFAOYSA-N -1 0 311.313 -0.332 20 0 DBADRM CO[C@@H]1CCCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001341325398 808679742 /nfs/dbraw/zinc/67/97/42/808679742.db2.gz AMJWPUSBPIARMA-LLVKDONJSA-N -1 0 304.343 -0.075 20 0 DBADRM O=C(CCCNC(=O)c1cccnc1)NCc1nc(=O)o[n-]1 ZINC001341390245 808682075 /nfs/dbraw/zinc/68/20/75/808682075.db2.gz HOAYHJKBKSNDNJ-UHFFFAOYSA-N -1 0 305.294 -0.416 20 0 DBADRM C[C@H]1CCC[C@H](CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)O1 ZINC001341435103 808685135 /nfs/dbraw/zinc/68/51/35/808685135.db2.gz ZCMNUEYEGZCABN-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H]1COCCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001341448175 808685700 /nfs/dbraw/zinc/68/57/00/808685700.db2.gz CITZTQUDQKXBRE-NSHDSACASA-N -1 0 304.343 -0.075 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCCCc1nc(C)no1 ZINC001341769928 808698790 /nfs/dbraw/zinc/69/87/90/808698790.db2.gz NTQMEFDKODCCIZ-UHFFFAOYSA-N -1 0 300.315 -0.489 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN([C@@H](C)COC)C1 ZINC000950766546 808710156 /nfs/dbraw/zinc/71/01/56/808710156.db2.gz LXIHEZGGHLDDDP-QMMMGPOBSA-N -1 0 311.342 -0.536 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC001342030755 808712500 /nfs/dbraw/zinc/71/25/00/808712500.db2.gz UZEINNWINYBYKP-NSHDSACASA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@@H](CNC(=O)C(=O)[N-]OCCC(F)(F)F)S(C)(=O)=O ZINC001342428768 808730075 /nfs/dbraw/zinc/73/00/75/808730075.db2.gz VNVGIQLCJQUOGJ-LURJTMIESA-N -1 0 320.289 -0.464 20 0 DBADRM CCN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(C[C@H](C)O)C1 ZINC000951120443 808769244 /nfs/dbraw/zinc/76/92/44/808769244.db2.gz QHKTZPZNUIKGNB-VIFPVBQESA-N -1 0 310.354 -0.987 20 0 DBADRM CCN(C(=O)[C@@H]1CC[C@H]1C(N)=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000951126354 808770214 /nfs/dbraw/zinc/77/02/14/808770214.db2.gz PTVPPAWYZMQLRG-NXEZZACHSA-N -1 0 322.369 -0.946 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2csnn2)c1[O-] ZINC000951265743 808789038 /nfs/dbraw/zinc/78/90/38/808789038.db2.gz HKZUMZMTCWENKZ-SSDOTTSWSA-N -1 0 322.350 -0.080 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)c1ccoc1)c1n[nH]c(=O)[n-]c1=O ZINC000951298127 808794517 /nfs/dbraw/zinc/79/45/17/808794517.db2.gz RENNHCKYRWSGND-MRVPVSSYSA-N -1 0 319.277 -0.480 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)[C@H]1CC12CC2)c1n[nH]c(=O)[n-]c1=O ZINC000951298356 808794580 /nfs/dbraw/zinc/79/45/80/808794580.db2.gz XBPSPUUHLFEXKY-JGVFFNPUSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)C1CC=CC1)c1n[nH]c(=O)[n-]c1=O ZINC000951297412 808794887 /nfs/dbraw/zinc/79/48/87/808794887.db2.gz AGZKEUJGUKEALY-VIFPVBQESA-N -1 0 319.321 -0.420 20 0 DBADRM CC(C)=CC(=O)N1CC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951450559 808820284 /nfs/dbraw/zinc/82/02/84/808820284.db2.gz CWVOJEWZWGQDIV-SNVBAGLBSA-N -1 0 320.349 -0.217 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000951461729 808824809 /nfs/dbraw/zinc/82/48/09/808824809.db2.gz RSDPQALZNKVLTR-HRDYMLBCSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1nc(C)c(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)[nH]1 ZINC001038710781 815239163 /nfs/dbraw/zinc/23/91/63/815239163.db2.gz QLLYODARPAPSIY-VIFPVBQESA-N -1 0 305.342 -0.145 20 0 DBADRM O=C(CC1CC1)N[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000951509995 808834949 /nfs/dbraw/zinc/83/49/49/808834949.db2.gz BFVXZXKMIZSQNF-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCN(CCCO)CC1 ZINC000951549831 808842838 /nfs/dbraw/zinc/84/28/38/808842838.db2.gz FXTCEFWEVYGJEG-UHFFFAOYSA-N -1 0 305.338 -0.837 20 0 DBADRM O=C(CCc1cn[nH]c1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000951584367 808850592 /nfs/dbraw/zinc/85/05/92/808850592.db2.gz HPILQMFFTKHIGD-UHFFFAOYSA-N -1 0 305.342 -0.490 20 0 DBADRM CCn1ccc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001038776495 815244976 /nfs/dbraw/zinc/24/49/76/815244976.db2.gz SYCVNICHRCHSCZ-SECBINFHSA-N -1 0 305.342 -0.269 20 0 DBADRM CCN(C(=O)c1c[n-]n2c1nccc2=O)C1CN(CCOC)C1 ZINC000952418571 808989055 /nfs/dbraw/zinc/98/90/55/808989055.db2.gz WDYULUCDXONZPS-UHFFFAOYSA-N -1 0 319.365 -0.185 20 0 DBADRM CC(C)n1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC000952447082 808991195 /nfs/dbraw/zinc/99/11/95/808991195.db2.gz QEDHXKBHTWZXMK-UHFFFAOYSA-N -1 0 320.357 -0.359 20 0 DBADRM CC(=O)N1CC[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)[C@H]2C1 ZINC000953227432 809024891 /nfs/dbraw/zinc/02/48/91/809024891.db2.gz PQTJIGKOTRYENL-JQWIXIFHSA-N -1 0 320.349 -0.431 20 0 DBADRM CCC(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000953226417 809025357 /nfs/dbraw/zinc/02/53/57/809025357.db2.gz IGASZLGXYFAFLG-ZJUUUORDSA-N -1 0 323.353 -0.451 20 0 DBADRM CC(=O)N1CC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000953245461 809026631 /nfs/dbraw/zinc/02/66/31/809026631.db2.gz YJRJTKWBZZJOFD-VHSXEESVSA-N -1 0 309.326 -0.841 20 0 DBADRM CCC(=O)N1CC[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000953399825 809039108 /nfs/dbraw/zinc/03/91/08/809039108.db2.gz BARRNJTWGPFAKM-RKDXNWHRSA-N -1 0 321.337 -0.244 20 0 DBADRM CC(=O)N1CC[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000953416398 809041429 /nfs/dbraw/zinc/04/14/29/809041429.db2.gz UAJKRUMSRIBVDM-IUCAKERBSA-N -1 0 307.310 -0.634 20 0 DBADRM CCc1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001038846036 815257265 /nfs/dbraw/zinc/25/72/65/815257265.db2.gz NZFDLZQKWSFWDU-JTQLQIEISA-N -1 0 319.369 -0.190 20 0 DBADRM CN(C(=O)C1CCCC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000953488890 809051957 /nfs/dbraw/zinc/05/19/57/809051957.db2.gz LBXZHWAXSFPURA-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM CC(=O)N[C@H](C)[C@@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000953633496 809059594 /nfs/dbraw/zinc/05/95/94/809059594.db2.gz GQXPTMVGUCINOE-APPZFPTMSA-N -1 0 309.326 -0.198 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000953635585 809059666 /nfs/dbraw/zinc/05/96/66/809059666.db2.gz KLNSTWRCDPVBPW-WPRPVWTQSA-N -1 0 320.349 -0.575 20 0 DBADRM CCC(=O)N(C)C1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000953663523 809067004 /nfs/dbraw/zinc/06/70/04/809067004.db2.gz IOJMRRVPZZAJCC-UHFFFAOYSA-N -1 0 322.365 -0.041 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)Cc3ccon3)C2)c1[O-] ZINC000953925017 809129322 /nfs/dbraw/zinc/12/93/22/809129322.db2.gz XGPHMAQCRBJGOF-UHFFFAOYSA-N -1 0 319.321 -0.063 20 0 DBADRM CC1CC(C(=O)N(C)C2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000954014263 809144314 /nfs/dbraw/zinc/14/43/14/809144314.db2.gz SUVKZLKEZPGTEX-UHFFFAOYSA-N -1 0 321.337 -0.388 20 0 DBADRM CN(C(=O)C1=CCCC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954036823 809148391 /nfs/dbraw/zinc/14/83/91/809148391.db2.gz AQQUBTGIVAIWRX-UHFFFAOYSA-N -1 0 319.321 -0.324 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)[C@@H]3COCCO3)C2)c1[O-] ZINC000954068861 809154634 /nfs/dbraw/zinc/15/46/34/809154634.db2.gz UFTSPRBZIIIPOT-JTQLQIEISA-N -1 0 324.337 -0.878 20 0 DBADRM CN(C(=O)[C@@H]1CC1(C)C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954082786 809156506 /nfs/dbraw/zinc/15/65/06/809156506.db2.gz FXJCZRZIBRORRN-VIFPVBQESA-N -1 0 323.353 -0.595 20 0 DBADRM CN(C(=O)c1ncccc1O)C1CN(C(=O)Cn2nccn2)C1 ZINC000954125114 809167313 /nfs/dbraw/zinc/16/73/13/809167313.db2.gz CAWXHQIRNOFZRN-UHFFFAOYSA-N -1 0 316.321 -0.638 20 0 DBADRM NC(=O)CN1CC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001038924141 815266999 /nfs/dbraw/zinc/26/69/99/815266999.db2.gz XAEYNMNGXZJYAQ-ZETCQYMHSA-N -1 0 305.294 -0.782 20 0 DBADRM CC(C)C(=O)N1CC(N(C)C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000954304029 809210271 /nfs/dbraw/zinc/21/02/71/809210271.db2.gz GQOZGDZTWVARON-UHFFFAOYSA-N -1 0 317.349 -0.039 20 0 DBADRM COc1c(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001038960701 815272487 /nfs/dbraw/zinc/27/24/87/815272487.db2.gz HSPSMKRTPPYKCM-MRVPVSSYSA-N -1 0 321.341 -0.743 20 0 DBADRM COCC(=O)N1CC(N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000954828328 809297539 /nfs/dbraw/zinc/29/75/39/809297539.db2.gz NCJJTKRPVVVYCT-UHFFFAOYSA-N -1 0 320.305 -0.142 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C(C)(F)F)C1 ZINC000954877282 809305552 /nfs/dbraw/zinc/30/55/52/809305552.db2.gz RBLDIUPGZOGBTH-UHFFFAOYSA-N -1 0 317.252 -0.779 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954934208 809311665 /nfs/dbraw/zinc/31/16/65/809311665.db2.gz WRRHPNKKZWLYMB-IONNQARKSA-N -1 0 309.326 -0.986 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)[C@@H]2CC23CC3)C1 ZINC000954939074 809312068 /nfs/dbraw/zinc/31/20/68/809312068.db2.gz TWCYGSLFOFJQKL-VIFPVBQESA-N -1 0 321.337 -0.841 20 0 DBADRM CC[C@H](C)C(=O)N1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000954951115 809316600 /nfs/dbraw/zinc/31/66/00/809316600.db2.gz KSMQHIPTGRFLTI-VIFPVBQESA-N -1 0 322.365 -0.185 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3nc[nH]n3)C2)c1[O-] ZINC000955022685 809336597 /nfs/dbraw/zinc/33/65/97/809336597.db2.gz MPCYGTSNOZOPFD-UHFFFAOYSA-N -1 0 305.298 -0.862 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000955216577 809379458 /nfs/dbraw/zinc/37/94/58/809379458.db2.gz MWRJHUDHASXOIS-HTQZYQBOSA-N -1 0 321.337 -0.388 20 0 DBADRM CN(C(=O)[C@@H]1CC12CC2)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000955430503 809414431 /nfs/dbraw/zinc/41/44/31/809414431.db2.gz FCJCXDUZQAZIJQ-VIFPVBQESA-N -1 0 321.337 -0.841 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC000955449924 809419000 /nfs/dbraw/zinc/41/90/00/809419000.db2.gz UMCQMUWOEXVCCR-JGVFFNPUSA-N -1 0 309.326 -0.198 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC000955462228 809419985 /nfs/dbraw/zinc/41/99/85/809419985.db2.gz PYQNPXVFSDWVPB-WCBMZHEXSA-N -1 0 308.338 -0.385 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C1CC1 ZINC000955466751 809420793 /nfs/dbraw/zinc/42/07/93/809420793.db2.gz SJGJBJZDGSEQQS-VXNVDRBHSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C2CC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000955752131 809440951 /nfs/dbraw/zinc/44/09/51/809440951.db2.gz AZANWNJEHHXIEY-APPZFPTMSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C2CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000955763559 809442633 /nfs/dbraw/zinc/44/26/33/809442633.db2.gz VJJCJLXSJZZBLH-PSASIEDQSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)[C@@H](C)C1 ZINC000955769019 809443598 /nfs/dbraw/zinc/44/35/98/809443598.db2.gz LQIUEFPRROZREV-WCBMZHEXSA-N -1 0 308.338 -0.385 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@@H](C)C2)c1[O-] ZINC000955798495 809448912 /nfs/dbraw/zinc/44/89/12/809448912.db2.gz YHCDBFAZOIJGJE-XPUUQOCRSA-N -1 0 309.326 -0.982 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@H](C)C2)c1[O-] ZINC000955798494 809449097 /nfs/dbraw/zinc/44/90/97/809449097.db2.gz YHCDBFAZOIJGJE-SVRRBLITSA-N -1 0 309.326 -0.982 20 0 DBADRM O=C(NC[C@@H]1CCCN1C(=O)C(F)F)c1n[nH]c(=O)[n-]c1=O ZINC000955843936 809455761 /nfs/dbraw/zinc/45/57/61/809455761.db2.gz QISIMQKAOSWNCF-YFKPBYRVSA-N -1 0 317.252 -0.731 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000956129866 809488668 /nfs/dbraw/zinc/48/86/68/809488668.db2.gz MXDTTXXBIGOMEQ-GUBZILKMSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H]1CNC(=O)C1CC1 ZINC000956129489 809489343 /nfs/dbraw/zinc/48/93/43/809489343.db2.gz JSEOSZKHBVJWTP-VIFPVBQESA-N -1 0 309.326 -0.794 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000956136036 809489784 /nfs/dbraw/zinc/48/97/84/809489784.db2.gz ZPEZTZBZGYHOJH-HRDYMLBCSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(C(=O)c3nc[nH]n3)C2)c1[O-] ZINC000956828925 809554582 /nfs/dbraw/zinc/55/45/82/809554582.db2.gz QSWJYLBPBJELSA-ZDUSSCGKSA-N -1 0 319.325 -0.424 20 0 DBADRM CCn1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC000956951163 809571921 /nfs/dbraw/zinc/57/19/21/809571921.db2.gz DXIIKZRUJSUSOT-UHFFFAOYSA-N -1 0 306.330 -0.920 20 0 DBADRM CCN(C(=O)c1ccncn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000956983102 809575231 /nfs/dbraw/zinc/57/52/31/809575231.db2.gz MCSUSDYSWQKHFA-UHFFFAOYSA-N -1 0 303.326 -0.353 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957236116 809607852 /nfs/dbraw/zinc/60/78/52/809607852.db2.gz SUYKUWOQXYVSEC-FZVNPBSJSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@]1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(C(=O)C2CCC2)C1 ZINC000957235542 809608045 /nfs/dbraw/zinc/60/80/45/809608045.db2.gz GIXNDPIMNFBQCH-AWEZNQCLSA-N -1 0 321.337 -0.196 20 0 DBADRM CC(C)C(=O)N1CC[C@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957235361 809608220 /nfs/dbraw/zinc/60/82/20/809608220.db2.gz BFSGHBAUVYKTCD-ZDUSSCGKSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(C)C(=O)N1CC[C@@](C)(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000957267249 809611649 /nfs/dbraw/zinc/61/16/49/809611649.db2.gz JDMBLCMOQJCVSA-OAHLLOKOSA-N -1 0 322.365 -0.137 20 0 DBADRM Cn1cccc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1=O ZINC000957373501 809633501 /nfs/dbraw/zinc/63/35/01/809633501.db2.gz QOOVAWIXUFBYEA-UHFFFAOYSA-N -1 0 318.337 -0.833 20 0 DBADRM Cc1ncc(CN2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)o1 ZINC000957474759 809647458 /nfs/dbraw/zinc/64/74/58/809647458.db2.gz ZDWKTRVNLFMDLD-UHFFFAOYSA-N -1 0 322.325 -0.670 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(Cc2ccccn2)CC1 ZINC000957472569 809648154 /nfs/dbraw/zinc/64/81/54/809648154.db2.gz IDSDVKFEQZBMFY-UHFFFAOYSA-N -1 0 318.337 -0.571 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1(C)CC1 ZINC000957530525 809652498 /nfs/dbraw/zinc/65/24/98/809652498.db2.gz WAUBBRKFGUNSEW-RKDXNWHRSA-N -1 0 323.353 -0.548 20 0 DBADRM CCc1ncncc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957678517 809665326 /nfs/dbraw/zinc/66/53/26/809665326.db2.gz VYGATEBAFUWYND-UHFFFAOYSA-N -1 0 317.353 -0.179 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccccn1 ZINC000957803976 809678339 /nfs/dbraw/zinc/67/83/39/809678339.db2.gz OJWBZLNGFUGRFE-ONGXEEELSA-N -1 0 318.337 -0.872 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000957815435 809681274 /nfs/dbraw/zinc/68/12/74/809681274.db2.gz GVZVMILYRFXQPW-QCLAVDOMSA-N -1 0 323.353 -0.692 20 0 DBADRM CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC000957818231 809682385 /nfs/dbraw/zinc/68/23/85/809682385.db2.gz KKVGBJPHEISSFC-CIUDSAMLSA-N -1 0 321.337 -0.198 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccco1 ZINC000957830516 809685423 /nfs/dbraw/zinc/68/54/23/809685423.db2.gz MJUCPTGIBGPXSE-RKDXNWHRSA-N -1 0 307.310 -0.674 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)on1 ZINC000957859066 809694473 /nfs/dbraw/zinc/69/44/73/809694473.db2.gz KNSQIHZXFMFKJY-DTWKUNHWSA-N -1 0 322.325 -0.971 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccsc1 ZINC000957859651 809694879 /nfs/dbraw/zinc/69/48/79/809694879.db2.gz SJAOTSAGNKZJQB-VHSXEESVSA-N -1 0 323.378 -0.206 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)on1 ZINC000957859067 809695081 /nfs/dbraw/zinc/69/50/81/809695081.db2.gz KNSQIHZXFMFKJY-IUCAKERBSA-N -1 0 322.325 -0.971 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)on1 ZINC000957859065 809695109 /nfs/dbraw/zinc/69/51/09/809695109.db2.gz KNSQIHZXFMFKJY-BDAKNGLRSA-N -1 0 322.325 -0.971 20 0 DBADRM Cn1cccc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000957878392 809698703 /nfs/dbraw/zinc/69/87/03/809698703.db2.gz LLUYAUZVYQJTCB-ONGXEEELSA-N -1 0 320.353 -0.929 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccoc1 ZINC000957878363 809698807 /nfs/dbraw/zinc/69/88/07/809698807.db2.gz LBMLIKGHMPWBKQ-VHSXEESVSA-N -1 0 307.310 -0.674 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cscn1 ZINC000957915772 809716812 /nfs/dbraw/zinc/71/68/12/809716812.db2.gz XXWGSTDENKAPLK-VXNVDRBHSA-N -1 0 324.366 -0.811 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC=CC1 ZINC000957943432 809725228 /nfs/dbraw/zinc/72/52/28/809725228.db2.gz HMNGDDMHSNWIKK-QWRGUYRKSA-N -1 0 307.354 -0.615 20 0 DBADRM Cc1[nH]ccc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000957947691 809726450 /nfs/dbraw/zinc/72/64/50/809726450.db2.gz MRHDIIXMRNUFFY-ONGXEEELSA-N -1 0 320.353 -0.630 20 0 DBADRM Cn1ccc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1 ZINC000957974660 809731616 /nfs/dbraw/zinc/73/16/16/809731616.db2.gz HGXLSSPWPUPORV-GHMZBOCLSA-N -1 0 320.353 -0.929 20 0 DBADRM C[C@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnn(C)c1 ZINC000957980896 809733564 /nfs/dbraw/zinc/73/35/64/809733564.db2.gz SUEHKJUJUPHVFL-JTQLQIEISA-N -1 0 319.369 -0.308 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)co1 ZINC000958015661 809743361 /nfs/dbraw/zinc/74/33/61/809743361.db2.gz NQYUUVHXXXCCLS-QWRGUYRKSA-N -1 0 321.337 -0.366 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cnccn1 ZINC000958121002 809772852 /nfs/dbraw/zinc/77/28/52/809772852.db2.gz YUBHKMLWSPOCLD-VROVMSAKSA-N -1 0 301.310 -0.840 20 0 DBADRM CN(C(=O)C(F)F)[C@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1O ZINC000958376763 809885339 /nfs/dbraw/zinc/88/53/39/809885339.db2.gz KCCMAZHYNLUTJA-YUMQZZPRSA-N -1 0 316.264 -0.909 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC2(CC2)C1 ZINC000958399040 809893845 /nfs/dbraw/zinc/89/38/45/809893845.db2.gz IUIZDPMDSHQQCZ-GHMZBOCLSA-N -1 0 321.381 -0.391 20 0 DBADRM Cc1cc(CC(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)n[nH]1 ZINC000958549470 809953723 /nfs/dbraw/zinc/95/37/23/809953723.db2.gz ZYJRKBCTEKDNQB-IWIIMEHWSA-N -1 0 317.353 -0.669 20 0 DBADRM O=C(NC[C@@H]1CN(CCF)C[C@@H]1O)c1ccc2oc(=O)nc-2[n-]1 ZINC000958583960 809967403 /nfs/dbraw/zinc/96/74/03/809967403.db2.gz MKZOXJUQQMJWAA-SCZZXKLOSA-N -1 0 324.312 -0.080 20 0 DBADRM COc1cc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)on1 ZINC000958631151 809984773 /nfs/dbraw/zinc/98/47/73/809984773.db2.gz YZUDMQAURSIXQU-IIDWOEFGSA-N -1 0 320.309 -0.633 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cncnc1 ZINC000958643186 809990988 /nfs/dbraw/zinc/99/09/88/809990988.db2.gz XEWSGEGNRRKERC-JZYVYDRUSA-N -1 0 301.310 -0.840 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1=CCOCC1 ZINC000958650388 809992550 /nfs/dbraw/zinc/99/25/50/809992550.db2.gz IEEMWRHDQMYZCD-IAZYJMLFSA-N -1 0 305.338 -0.597 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@@H]1CCCOCC1 ZINC000958725105 810012898 /nfs/dbraw/zinc/01/28/98/810012898.db2.gz YOAMFIUDBMNTIC-DCQANWLSSA-N -1 0 321.381 -0.127 20 0 DBADRM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000958781204 810035143 /nfs/dbraw/zinc/03/51/43/810035143.db2.gz LIAYQPOQIAHLAH-HTQZYQBOSA-N -1 0 323.353 -0.094 20 0 DBADRM CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000958824599 810040855 /nfs/dbraw/zinc/04/08/55/810040855.db2.gz BTKFXWVAFUMTJA-UWVGGRQHSA-N -1 0 310.354 -0.132 20 0 DBADRM CCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000958988822 810075950 /nfs/dbraw/zinc/07/59/50/810075950.db2.gz VSVWXSHJTPLIAV-UWVGGRQHSA-N -1 0 322.365 -0.137 20 0 DBADRM CCC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000959299990 810093902 /nfs/dbraw/zinc/09/39/02/810093902.db2.gz ZVSWFGGAOXVLBI-YUMQZZPRSA-N -1 0 309.326 -0.483 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2C)c1[O-] ZINC000959408527 810099160 /nfs/dbraw/zinc/09/91/60/810099160.db2.gz FOXSEUGXOWAGSO-CBAPKCEASA-N -1 0 323.353 -0.877 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000959516978 810106821 /nfs/dbraw/zinc/10/68/21/810106821.db2.gz WTCIOQUCIGHFCJ-SCZZXKLOSA-N -1 0 323.353 -0.554 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)[C@@H]1CCOC1 ZINC000960472898 810178238 /nfs/dbraw/zinc/17/82/38/810178238.db2.gz OACBUQROWHJBLA-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)c1cn(C)cn1 ZINC000960549755 810182769 /nfs/dbraw/zinc/18/27/69/810182769.db2.gz VNSPGISGVYMIGN-SNVBAGLBSA-N -1 0 319.369 -0.020 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)c1cn(C)cn1 ZINC000960549753 810183030 /nfs/dbraw/zinc/18/30/30/810183030.db2.gz VNSPGISGVYMIGN-JTQLQIEISA-N -1 0 319.369 -0.020 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)C(C)(C)C(N)=O ZINC000960682738 810191954 /nfs/dbraw/zinc/19/19/54/810191954.db2.gz YUUVYLNGOGCMME-SECBINFHSA-N -1 0 324.385 -0.555 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)c1cncn1C ZINC000960741172 810196892 /nfs/dbraw/zinc/19/68/92/810196892.db2.gz UHAYLBQACWPKPE-SNVBAGLBSA-N -1 0 319.369 -0.020 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000960815874 810203785 /nfs/dbraw/zinc/20/37/85/810203785.db2.gz NHTWITCLMVSMKI-MEWQQHAOSA-N -1 0 321.381 -0.175 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)C1(C(N)=O)CC1 ZINC000960840534 810206859 /nfs/dbraw/zinc/20/68/59/810206859.db2.gz OIAMXSLCGHNIBJ-SECBINFHSA-N -1 0 322.369 -0.801 20 0 DBADRM COc1ccc(C(=O)N2C[C@@H](NC(=O)C(F)F)[C@@H](O)C2)nn1 ZINC000961073330 810224579 /nfs/dbraw/zinc/22/45/79/810224579.db2.gz CWVACWYUTWCILS-SFYZADRCSA-N -1 0 316.264 -0.948 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1n[nH]cc1F ZINC000961693850 810346338 /nfs/dbraw/zinc/34/63/38/810346338.db2.gz DQOPTSMBQYYWJT-KPCSLPGQSA-N -1 0 307.289 -0.767 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cccnn1 ZINC000962109646 810448074 /nfs/dbraw/zinc/44/80/74/810448074.db2.gz FPULFOYUUSYMMF-VROVMSAKSA-N -1 0 301.310 -0.840 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)/C=C/C3CC3)C[C@@H]2O)c1[O-] ZINC000962302897 810502317 /nfs/dbraw/zinc/50/23/17/810502317.db2.gz KKTGEVOJBLLEMM-ZJRFNNFUSA-N -1 0 320.349 -0.309 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC34CC4)C[C@@H]2O)c1[O-] ZINC000962309254 810503020 /nfs/dbraw/zinc/50/30/20/810503020.db2.gz XGCHVBBXUNWMLE-AEJSXWLSSA-N -1 0 320.349 -0.475 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC(C)C)C[C@@H]2O)c1[O-] ZINC000962304225 810503121 /nfs/dbraw/zinc/50/31/21/810503121.db2.gz SLAFGBYDFCNEHY-ZJUUUORDSA-N -1 0 310.354 -0.229 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C3CC3)C[C@@H]2O)c1[O-] ZINC000962303699 810503379 /nfs/dbraw/zinc/50/33/79/810503379.db2.gz PCTMSBIHQJZNQW-XROYCOCOSA-N -1 0 322.365 -0.229 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC3(C)C)[C@@H](O)C2)c1[O-] ZINC000962317340 810505571 /nfs/dbraw/zinc/50/55/71/810505571.db2.gz ALHWYZYWFWWGFR-BBBLOLIVSA-N -1 0 322.365 -0.229 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@@H]2O)c1[O-] ZINC000962319616 810506268 /nfs/dbraw/zinc/50/62/68/810506268.db2.gz MUTCSYUGYIWDLB-SFYZADRCSA-N -1 0 321.293 -0.973 20 0 DBADRM CCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000962519113 810543278 /nfs/dbraw/zinc/54/32/78/810543278.db2.gz OLMKSTVOKUJHPD-DTWKUNHWSA-N -1 0 321.337 -0.102 20 0 DBADRM CCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000962520879 810544581 /nfs/dbraw/zinc/54/45/81/810544581.db2.gz SNYYCTZNEURPPZ-NXEZZACHSA-N -1 0 323.353 -0.309 20 0 DBADRM CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000963412811 810626082 /nfs/dbraw/zinc/62/60/82/810626082.db2.gz HCUHIAOELKIYIZ-DTWKUNHWSA-N -1 0 307.310 -0.492 20 0 DBADRM CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000963429708 810627033 /nfs/dbraw/zinc/62/70/33/810627033.db2.gz OPSGYPDUUFQZCC-NXEZZACHSA-N -1 0 309.326 -0.699 20 0 DBADRM CCC(=O)N1CCC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000963606402 810645933 /nfs/dbraw/zinc/64/59/33/810645933.db2.gz RYMMAZZNIPWDCJ-VHSXEESVSA-N -1 0 323.353 -0.451 20 0 DBADRM CC(=O)N[C@H]1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000963897038 810669670 /nfs/dbraw/zinc/66/96/70/810669670.db2.gz WDYPMWDOWOMQHX-KYZUINATSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(=O)N1CCOC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000964266723 810744628 /nfs/dbraw/zinc/74/46/28/810744628.db2.gz PUJHEYYWZAXUIG-SECBINFHSA-N -1 0 320.305 -0.095 20 0 DBADRM CCC(=O)N1CCC2(C[C@H]2NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000964570935 810785689 /nfs/dbraw/zinc/78/56/89/810785689.db2.gz XLZDKQPANVSOGM-SECBINFHSA-N -1 0 323.353 -0.403 20 0 DBADRM CCC(=O)N1CCC2(C[C@@H]2NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000964570936 810785710 /nfs/dbraw/zinc/78/57/10/810785710.db2.gz XLZDKQPANVSOGM-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM CC(=O)N1CCC2(C[C@@H]2NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000964602554 810789254 /nfs/dbraw/zinc/78/92/54/810789254.db2.gz PRLRKLUAZWEQSM-NSHDSACASA-N -1 0 320.349 -0.383 20 0 DBADRM CCC(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000964646908 810792822 /nfs/dbraw/zinc/79/28/22/810792822.db2.gz WBRYGRDVBOXUOM-MRVPVSSYSA-N -1 0 309.326 -0.196 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000964651088 810793123 /nfs/dbraw/zinc/79/31/23/810793123.db2.gz OUTKMMZGTSOSCW-JTQLQIEISA-N -1 0 308.338 -0.383 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC3(C[C@@H]3NC(=O)C(N)=O)CC2)c1[O-] ZINC000965038399 810822300 /nfs/dbraw/zinc/82/23/00/810822300.db2.gz LJLPAHUVWXSWAO-QMMMGPOBSA-N -1 0 321.337 -0.980 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)CC2)c1[O-] ZINC000965130255 810833546 /nfs/dbraw/zinc/83/35/46/810833546.db2.gz GQBNDNGBJKCEKR-QMMMGPOBSA-N -1 0 309.326 -0.980 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cc1cc[nH]n1 ZINC000965801066 810971038 /nfs/dbraw/zinc/97/10/38/810971038.db2.gz OIEUSRVJTMPSMR-KOLCDFICSA-N -1 0 319.369 -0.197 20 0 DBADRM CC(=O)N1C[C@H](C)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000966034948 811006724 /nfs/dbraw/zinc/00/67/24/811006724.db2.gz ZPKFNODCKLZIKB-GZMMTYOYSA-N -1 0 303.322 -0.381 20 0 DBADRM CCCC(=O)N1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](C)C1 ZINC000966064831 811010526 /nfs/dbraw/zinc/01/05/26/811010526.db2.gz GXVRLFASNMMVDH-IUCAKERBSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000966179570 811029170 /nfs/dbraw/zinc/02/91/70/811029170.db2.gz QUEODFXGUPTRCJ-BDAKNGLRSA-N -1 0 311.342 -0.692 20 0 DBADRM CC(=O)N[C@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@H]1C ZINC000966444102 811074635 /nfs/dbraw/zinc/07/46/35/811074635.db2.gz HTURXSHXLVSTOU-KCJUWKMLSA-N -1 0 303.322 -0.381 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2C)c1[O-] ZINC000966574949 811099860 /nfs/dbraw/zinc/09/98/60/811099860.db2.gz SRFNCCMIBAVFSC-RCOVLWMOSA-N -1 0 319.325 -0.568 20 0 DBADRM CC(C)C(=O)N[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000966639122 811113153 /nfs/dbraw/zinc/11/31/53/811113153.db2.gz WQUQDYBJQMGVLE-SFYZADRCSA-N -1 0 309.326 -0.485 20 0 DBADRM CC(C)C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC000966647924 811113850 /nfs/dbraw/zinc/11/38/50/811113850.db2.gz LGPJGCFDIRIVFV-DTWKUNHWSA-N -1 0 311.342 -0.692 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1NC(=O)C1(C)CC1 ZINC000966654269 811115518 /nfs/dbraw/zinc/11/55/18/811115518.db2.gz WAUBBRKFGUNSEW-IUCAKERBSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)N[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000966685298 811122235 /nfs/dbraw/zinc/12/22/35/811122235.db2.gz RCDZHSCLYDOETM-KCJUWKMLSA-N -1 0 318.337 -0.946 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1(C)C ZINC000966919445 811185387 /nfs/dbraw/zinc/18/53/87/811185387.db2.gz GREBGWCATINSTO-LLVKDONJSA-N -1 0 322.365 -0.137 20 0 DBADRM CCC(=O)N1CCN(C2CN(C(=O)c3n[nH]c(C)c3[O-])C2)CC1 ZINC000967152503 811206522 /nfs/dbraw/zinc/20/65/22/811206522.db2.gz CNHJKOAEMQEGLU-UHFFFAOYSA-N -1 0 321.381 -0.198 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCCN(C(=O)C(N)=O)C2)c1[O-] ZINC000967399244 811250648 /nfs/dbraw/zinc/25/06/48/811250648.db2.gz CCESLFLOOURTHL-VIFPVBQESA-N -1 0 323.353 -0.780 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C(C)C)C1 ZINC000968171710 811357439 /nfs/dbraw/zinc/35/74/39/811357439.db2.gz OJHVVCNHQRJDCE-UHFFFAOYSA-N -1 0 309.326 -0.388 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C(F)F)C1 ZINC000968170601 811358336 /nfs/dbraw/zinc/35/83/36/811358336.db2.gz GLGSKVJKQSJYMT-UHFFFAOYSA-N -1 0 317.252 -0.779 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnn(C)n1 ZINC000968412435 811401035 /nfs/dbraw/zinc/40/10/35/811401035.db2.gz AMCHYYGUVPKIGX-WCBMZHEXSA-N -1 0 320.357 -0.721 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NCc3cnn(C)n3)C2)c1[O-] ZINC000968415972 811402702 /nfs/dbraw/zinc/40/27/02/811402702.db2.gz LCRYUMAJLAKFRB-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM Cn1[nH]c(CN[C@@H]2CCN(C(=O)[C@H]3CCCCO3)C2)nc1=O ZINC000968425656 811404658 /nfs/dbraw/zinc/40/46/58/811404658.db2.gz OKIKWIXCWIZUKH-GHMZBOCLSA-N -1 0 309.370 -0.632 20 0 DBADRM C[C@@](O)(CC(=O)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC000968447437 811411025 /nfs/dbraw/zinc/41/10/25/811411025.db2.gz GNHVUFALESZBJA-QMTHXVAHSA-N -1 0 309.370 -0.248 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ncccn1 ZINC000968450425 811412230 /nfs/dbraw/zinc/41/22/30/811412230.db2.gz UQIQJLLJQDGHGE-VHSXEESVSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ncccn1 ZINC000968450426 811412284 /nfs/dbraw/zinc/41/22/84/811412284.db2.gz UQIQJLLJQDGHGE-ZJUUUORDSA-N -1 0 317.353 -0.059 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1ncc[nH]1 ZINC000968477075 811422219 /nfs/dbraw/zinc/42/22/19/811422219.db2.gz PMNKJJARMUPBCL-NXEZZACHSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1nnc(CC(=O)N2CC[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC000968580970 811448841 /nfs/dbraw/zinc/44/88/41/811448841.db2.gz IFKKGMMHIMKDLH-MRVPVSSYSA-N -1 0 307.314 -0.865 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cn1cncn1 ZINC000968614696 811455166 /nfs/dbraw/zinc/45/51/66/811455166.db2.gz MHWJFOYLWCTOIU-ZJUUUORDSA-N -1 0 320.357 -0.871 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ccn(C)n1 ZINC000968646578 811464123 /nfs/dbraw/zinc/46/41/23/811464123.db2.gz FBHLSHYWLRQPHA-ONGXEEELSA-N -1 0 319.369 -0.116 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccn(C)n1 ZINC000968646570 811464361 /nfs/dbraw/zinc/46/43/61/811464361.db2.gz FBHLSHYWLRQPHA-GXSJLCMTSA-N -1 0 319.369 -0.116 20 0 DBADRM NC(=O)CN1CCCCC[C@@H]1CNC(=O)c1cnc[nH]c1=O ZINC000968907670 811512143 /nfs/dbraw/zinc/51/21/43/811512143.db2.gz WOWBUGZTLUMSIG-SNVBAGLBSA-N -1 0 307.354 -0.358 20 0 DBADRM Cc1cc(C(=O)N[C@@H](C)C2CN(Cc3nc(=O)n(C)[nH]3)C2)on1 ZINC000969269266 811558482 /nfs/dbraw/zinc/55/84/82/811558482.db2.gz FPQUYSXAXYLVFU-VIFPVBQESA-N -1 0 320.353 -0.345 20 0 DBADRM CN(Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000971398919 811565532 /nfs/dbraw/zinc/56/55/32/811565532.db2.gz YRAOEGUQVYGLQD-GFCCVEGCSA-N -1 0 319.365 -0.023 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)[C@@H]1C ZINC000987179944 811596685 /nfs/dbraw/zinc/59/66/85/811596685.db2.gz CNMUHDDQNGKJSB-KCJUWKMLSA-N -1 0 303.322 -0.238 20 0 DBADRM COC(=O)[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000990471345 811656163 /nfs/dbraw/zinc/65/61/63/811656163.db2.gz WVTMHWURPBCYKD-IUCAKERBSA-N -1 0 322.321 -0.827 20 0 DBADRM O=C(CC1CCC1)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000990629117 811734773 /nfs/dbraw/zinc/73/47/73/811734773.db2.gz KBDOOSUZUGUECZ-UHFFFAOYSA-N -1 0 307.310 -0.586 20 0 DBADRM C[C@H](C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1)C1CC1 ZINC000990692794 811743876 /nfs/dbraw/zinc/74/38/76/811743876.db2.gz NYAHIOVRIXUIIR-QMMMGPOBSA-N -1 0 320.349 -0.527 20 0 DBADRM O=C(C=C1CCC1)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000990780446 811763969 /nfs/dbraw/zinc/76/39/69/811763969.db2.gz WAFWOCKKPBMSNY-UHFFFAOYSA-N -1 0 307.310 -0.873 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@]3(F)CCOC3)C2)c1[O-] ZINC000990852719 811789597 /nfs/dbraw/zinc/78/95/97/811789597.db2.gz CEAQKFMDYUWALK-ZDUSSCGKSA-N -1 0 312.301 -0.507 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2O)c1[O-] ZINC001040976743 815475452 /nfs/dbraw/zinc/47/54/52/815475452.db2.gz VVZHDLBHKGLRBY-RKDXNWHRSA-N -1 0 304.310 -0.807 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)c1[O-] ZINC000990858584 811790540 /nfs/dbraw/zinc/79/05/40/811790540.db2.gz GILFBCSLRYVJIY-LBPRGKRZSA-N -1 0 321.381 -0.295 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)c1[O-] ZINC000990859392 811790749 /nfs/dbraw/zinc/79/07/49/811790749.db2.gz LVDORINKESMQQM-MXWKQRLJSA-N -1 0 320.349 -0.068 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CO[C@H](C)C3)C2)c1[O-] ZINC000990861268 811792007 /nfs/dbraw/zinc/79/20/07/811792007.db2.gz TWOQGMHJVDEZFT-APPZFPTMSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3ccnn3C)C2)c1[O-] ZINC000990863713 811792584 /nfs/dbraw/zinc/79/25/84/811792584.db2.gz GVAWJKXNVCXZQF-UHFFFAOYSA-N -1 0 304.310 -0.588 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@H]3C[C@H](C)CO3)C2)c1[O-] ZINC000990863705 811793101 /nfs/dbraw/zinc/79/31/01/811793101.db2.gz GQEPHNWFUCEHLH-OIBJUYFYSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)Cc3cc[nH]n3)C2)c1[O-] ZINC000990863721 811793119 /nfs/dbraw/zinc/79/31/19/811793119.db2.gz HATIJTLEFRIXLM-UHFFFAOYSA-N -1 0 304.310 -0.670 20 0 DBADRM Cc1cc(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)on1 ZINC000990863734 811793128 /nfs/dbraw/zinc/79/31/28/811793128.db2.gz HKAANFPKLAXQRM-UHFFFAOYSA-N -1 0 305.294 -0.025 20 0 DBADRM COC(=O)[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990864974 811793705 /nfs/dbraw/zinc/79/37/05/811793705.db2.gz OKWHFDAHPQMVSO-IUCAKERBSA-N -1 0 322.321 -0.827 20 0 DBADRM Cc1nnc(CC(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)o1 ZINC000990865560 811793723 /nfs/dbraw/zinc/79/37/23/811793723.db2.gz QPKLEFZDSGODCN-UHFFFAOYSA-N -1 0 320.309 -0.702 20 0 DBADRM CCn1cc(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)cn1 ZINC000990866005 811793825 /nfs/dbraw/zinc/79/38/25/811793825.db2.gz SINDCPXWIUADTD-UHFFFAOYSA-N -1 0 318.337 -0.105 20 0 DBADRM Cc1nnsc1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990866613 811793898 /nfs/dbraw/zinc/79/38/98/811793898.db2.gz XJDNDRDYOHJTCN-UHFFFAOYSA-N -1 0 322.350 -0.162 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cncnc3)C2)c1[O-] ZINC000990866182 811793916 /nfs/dbraw/zinc/79/39/16/811793916.db2.gz VIQXQJGZTJUCRN-UHFFFAOYSA-N -1 0 302.294 -0.532 20 0 DBADRM Cc1nc(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)c[nH]1 ZINC000990864962 811793973 /nfs/dbraw/zinc/79/39/73/811793973.db2.gz OFSYSIAVWRTKQE-UHFFFAOYSA-N -1 0 304.310 -0.290 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cncn3C)C2)c1[O-] ZINC000990867430 811794998 /nfs/dbraw/zinc/79/49/98/811794998.db2.gz FHDLDTWXVWVIKT-UHFFFAOYSA-N -1 0 304.310 -0.588 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000990883077 811797347 /nfs/dbraw/zinc/79/73/47/811797347.db2.gz YQJAFEQECCPHSJ-SSDOTTSWSA-N -1 0 307.310 -0.731 20 0 DBADRM Cc1cc(C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)co1 ZINC000991015123 811849776 /nfs/dbraw/zinc/84/97/76/811849776.db2.gz XZCVYJMAYOJHLF-UHFFFAOYSA-N -1 0 319.277 -0.561 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC[C@@H]1C ZINC001004303159 811970993 /nfs/dbraw/zinc/97/09/93/811970993.db2.gz LXMTUXTVCNJYGN-GZMMTYOYSA-N -1 0 323.353 -0.412 20 0 DBADRM CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001004820474 812009934 /nfs/dbraw/zinc/00/99/34/812009934.db2.gz WKEHNDJROGBFLK-HLTSFMKQSA-N -1 0 309.326 -0.653 20 0 DBADRM C[C@H]1CCN(C(=O)C2CC2)C[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001005089203 812028417 /nfs/dbraw/zinc/02/84/17/812028417.db2.gz SWFMNHXCFPXTMZ-CBAPKCEASA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N1CC[C@@H](C)[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001005117917 812030328 /nfs/dbraw/zinc/03/03/28/812030328.db2.gz SHFLFUHTEDFCSI-KCJUWKMLSA-N -1 0 308.338 -0.527 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CCN([C@H]3CCNC3=O)CC2)c1[O-] ZINC001005263640 812054256 /nfs/dbraw/zinc/05/42/56/812054256.db2.gz UVNQMVZZIJQGHV-NSHDSACASA-N -1 0 321.381 -0.151 20 0 DBADRM CN(C(=O)[C@]12C[C@H]1COC2)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005421472 812067329 /nfs/dbraw/zinc/06/73/29/812067329.db2.gz NAGLSCOCGCOGPQ-BONVTDFDSA-N -1 0 321.381 -0.030 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(C(=O)c3cnon3)C2)c1[O-] ZINC001005921714 812132854 /nfs/dbraw/zinc/13/28/54/812132854.db2.gz KIDRGGVTMXLOJB-ZCFIWIBFSA-N -1 0 320.309 -0.303 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(C(=O)c3nc[nH]n3)C2)c1[O-] ZINC001005922398 812133229 /nfs/dbraw/zinc/13/32/29/812133229.db2.gz NQVYQLAFKWVFDJ-ZCFIWIBFSA-N -1 0 319.325 -0.568 20 0 DBADRM CN(C(=O)Cc1cnc[nH]1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001006061231 812155529 /nfs/dbraw/zinc/15/55/29/812155529.db2.gz SFJAXNBUJOQJMD-UHFFFAOYSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C(=O)[C@@H]1CCC(=O)N1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001006312457 812182870 /nfs/dbraw/zinc/18/28/70/812182870.db2.gz DXJSCWNZUSMGRH-JTQLQIEISA-N -1 0 322.369 -0.788 20 0 DBADRM CCCC(=O)N1CC([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006489796 812212331 /nfs/dbraw/zinc/21/23/31/812212331.db2.gz BUOMNEFUSNGOGY-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM CCC(=O)N1CC([C@@H](C)NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001006551570 812216926 /nfs/dbraw/zinc/21/69/26/812216926.db2.gz DACHGPNMCVKWPZ-MRVPVSSYSA-N -1 0 308.338 -0.527 20 0 DBADRM Cn1[nH]c(CN2CCC[C@H](NC(=O)Cc3cc[nH]n3)C2)nc1=O ZINC001006978325 812262302 /nfs/dbraw/zinc/26/23/02/812262302.db2.gz QEXRTEBTLNJNKC-NSHDSACASA-N -1 0 319.369 -0.845 20 0 DBADRM Cc1c(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)nnn1C ZINC001006993053 812262958 /nfs/dbraw/zinc/26/29/58/812262958.db2.gz IAGZCPKMHYDGAQ-VIFPVBQESA-N -1 0 320.357 -0.658 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN([C@@H]3CCN(C)C3=O)C2)c1[O-] ZINC001007131633 812270206 /nfs/dbraw/zinc/27/02/06/812270206.db2.gz XGWYGPZOWLUOOP-GHMZBOCLSA-N -1 0 321.381 -0.151 20 0 DBADRM Cn1ncc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)c1N ZINC001007173009 812273464 /nfs/dbraw/zinc/27/34/64/812273464.db2.gz KWQZHWGSDCVBAS-MRVPVSSYSA-N -1 0 320.357 -0.780 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCC(=O)N1 ZINC001007559449 812327495 /nfs/dbraw/zinc/32/74/95/812327495.db2.gz BCIJYMCFHGGWIG-VHSXEESVSA-N -1 0 322.369 -0.740 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc[nH]c1=O ZINC001007577331 812329860 /nfs/dbraw/zinc/32/98/60/812329860.db2.gz RSYPZMUHQZXORQ-QMMMGPOBSA-N -1 0 319.325 -0.600 20 0 DBADRM CC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC001007644187 812338978 /nfs/dbraw/zinc/33/89/78/812338978.db2.gz MNXPXFOYMBRPNF-AWEZNQCLSA-N -1 0 308.338 -0.113 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2ccon2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001007799853 812358192 /nfs/dbraw/zinc/35/81/92/812358192.db2.gz LGOSLXFGPQMGJG-MRVPVSSYSA-N -1 0 320.309 -0.335 20 0 DBADRM C[C@]1(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CNC(=O)C1 ZINC001008036825 812377411 /nfs/dbraw/zinc/37/74/11/812377411.db2.gz RMUKPWZAJSQQIU-YMTOWFKASA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)CC3CC3)C2)c1[O-] ZINC001041120724 815521249 /nfs/dbraw/zinc/52/12/49/815521249.db2.gz BCISOLNCJBFAJA-UHFFFAOYSA-N -1 0 308.338 -0.473 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)c1[O-] ZINC001008190472 812397228 /nfs/dbraw/zinc/39/72/28/812397228.db2.gz AYTZFVTYVHCQTM-RTHLEPHNSA-N -1 0 321.337 -0.980 20 0 DBADRM Cn1c(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)c[nH]c1=O ZINC001008192721 812398115 /nfs/dbraw/zinc/39/81/15/812398115.db2.gz WQHZHBVDOZGSOU-MRVPVSSYSA-N -1 0 321.341 -0.656 20 0 DBADRM CC(C)C(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C(C)(C)C1 ZINC001008369725 812420431 /nfs/dbraw/zinc/42/04/31/812420431.db2.gz DFJKNCILVLSAMU-QMMMGPOBSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001008814852 812473266 /nfs/dbraw/zinc/47/32/66/812473266.db2.gz OBURJRGCWOCILB-SECBINFHSA-N -1 0 305.342 -0.064 20 0 DBADRM Cn1ncc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001008864923 812481602 /nfs/dbraw/zinc/48/16/02/812481602.db2.gz ZTQGQRXGZIDHGS-MRVPVSSYSA-N -1 0 306.330 -0.967 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccncn1 ZINC001008926647 812490911 /nfs/dbraw/zinc/49/09/11/812490911.db2.gz RPKMONUROTXIJH-VIFPVBQESA-N -1 0 303.326 -0.305 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cccnn1 ZINC001008946797 812492041 /nfs/dbraw/zinc/49/20/41/812492041.db2.gz SIEKVKJUWFLRIQ-VIFPVBQESA-N -1 0 303.326 -0.305 20 0 DBADRM Cc1nccn1CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001009526411 812556364 /nfs/dbraw/zinc/55/63/64/812556364.db2.gz YLPZNZYAITUZGZ-NSHDSACASA-N -1 0 319.369 -0.204 20 0 DBADRM Cc1nccn1CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001009526408 812556453 /nfs/dbraw/zinc/55/64/53/812556453.db2.gz YLPZNZYAITUZGZ-LLVKDONJSA-N -1 0 319.369 -0.204 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC001009854651 812595955 /nfs/dbraw/zinc/59/59/55/812595955.db2.gz CUAXUMDRPBWBRX-AXFHLTTASA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@H]1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C1CC1 ZINC001009909295 812602516 /nfs/dbraw/zinc/60/25/16/812602516.db2.gz SHFVSOYNCIQGKK-YUMQZZPRSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1cnc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001010000732 812608079 /nfs/dbraw/zinc/60/80/79/812608079.db2.gz HVZYEIGLAORZRV-SECBINFHSA-N -1 0 303.326 -0.387 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2C[C@@H](C)N(C(=O)CC(N)=O)C2)c1[O-] ZINC001010075807 812616648 /nfs/dbraw/zinc/61/66/48/812616648.db2.gz HUAZQDPFDJAMBV-APPZFPTMSA-N -1 0 323.353 -0.734 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)[C@@H]3COCCO3)CC2)c1[O-] ZINC001010410552 812686142 /nfs/dbraw/zinc/68/61/42/812686142.db2.gz GGNFMAGWOAPKMK-JTQLQIEISA-N -1 0 324.337 -0.876 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010567220 812719537 /nfs/dbraw/zinc/71/95/37/812719537.db2.gz NYTMUSTUOMMMPI-IUCAKERBSA-N -1 0 309.326 -0.846 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3nncn3C)C2)c1[O-] ZINC001010619945 812727323 /nfs/dbraw/zinc/72/73/23/812727323.db2.gz KUWXMMDBNKBELH-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3nncn3C)C2)c1[O-] ZINC001010619947 812727334 /nfs/dbraw/zinc/72/73/34/812727334.db2.gz KUWXMMDBNKBELH-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN([C@@H]3CCC(=O)NC3=O)C2)c1[O-] ZINC001010628247 812728252 /nfs/dbraw/zinc/72/82/52/812728252.db2.gz KISVPMZHELMULR-RKDXNWHRSA-N -1 0 321.337 -0.967 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)ncn1 ZINC001010634082 812730055 /nfs/dbraw/zinc/73/00/55/812730055.db2.gz GSMSDUKUNPCEDT-SECBINFHSA-N -1 0 303.326 -0.387 20 0 DBADRM CCC(=O)N1CCCC2(CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC001010760862 812762622 /nfs/dbraw/zinc/76/26/22/812762622.db2.gz DMXGXLNRZYULDY-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1 ZINC001010767319 812763852 /nfs/dbraw/zinc/76/38/52/812763852.db2.gz MLDGBLUVXUCZDK-SNVBAGLBSA-N -1 0 303.326 -0.387 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(C(=O)C2CC=CC2)CC1 ZINC001010824897 812782061 /nfs/dbraw/zinc/78/20/61/812782061.db2.gz QRGAJJRLAHQDJJ-UHFFFAOYSA-N -1 0 321.337 -0.674 20 0 DBADRM Cc1nnc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001010876912 812795662 /nfs/dbraw/zinc/79/56/62/812795662.db2.gz MSNBHNNURDUPJG-MRVPVSSYSA-N -1 0 307.314 -0.865 20 0 DBADRM CC1CC(C(=O)N2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)C1 ZINC001010968087 812804413 /nfs/dbraw/zinc/80/44/13/812804413.db2.gz SEGBIUSKUGMWAZ-UHFFFAOYSA-N -1 0 323.353 -0.594 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3ccncn3)CC2)c1[O-] ZINC001011007331 812811139 /nfs/dbraw/zinc/81/11/39/812811139.db2.gz POOVZUUWMDXJCE-UHFFFAOYSA-N -1 0 316.321 -0.188 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3ccn(C)n3)CC2)c1[O-] ZINC001011010019 812812314 /nfs/dbraw/zinc/81/23/14/812812314.db2.gz SCIHEAWBBGHHGJ-UHFFFAOYSA-N -1 0 318.337 -0.245 20 0 DBADRM Cc1c(C(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)[C@@H]2C)nnn1C ZINC001011609432 812920175 /nfs/dbraw/zinc/92/01/75/812920175.db2.gz GLYSNYFUFBNKMX-CBAPKCEASA-N -1 0 318.341 -0.725 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@H]3C)C2)c1[O-] ZINC001041285425 815563510 /nfs/dbraw/zinc/56/35/10/815563510.db2.gz KZMCZESAYBZYOS-APPZFPTMSA-N -1 0 308.338 -0.617 20 0 DBADRM C[C@H]1[C@@H](NC(=O)CC2CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001011946043 812974179 /nfs/dbraw/zinc/97/41/79/812974179.db2.gz WXNHMNKZEUCOGU-WPRPVWTQSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(C)C(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)[C@H]1C ZINC001011947827 812975103 /nfs/dbraw/zinc/97/51/03/812975103.db2.gz INAHMYGLTAGELQ-ONGXEEELSA-N -1 0 322.365 -0.139 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)[C@@H]1C ZINC001011947826 812975220 /nfs/dbraw/zinc/97/52/20/812975220.db2.gz INAHMYGLTAGELQ-MWLCHTKSSA-N -1 0 322.365 -0.139 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H]1C ZINC001011959323 812977506 /nfs/dbraw/zinc/97/75/06/812977506.db2.gz IGBONPACRJQYIY-KWQFWETISA-N -1 0 318.337 -0.803 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)C1CC1 ZINC001012129282 813015853 /nfs/dbraw/zinc/01/58/53/813015853.db2.gz RKXRRACDOZEGKO-APPZFPTMSA-N -1 0 309.326 -0.795 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C1CCC1 ZINC001012146078 813017674 /nfs/dbraw/zinc/01/76/74/813017674.db2.gz ZGMHFPKDEZQSHQ-VXNVDRBHSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)CC1CC1 ZINC001012160180 813018098 /nfs/dbraw/zinc/01/80/98/813018098.db2.gz OJURSAWREMVLSJ-WCBMZHEXSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)CC1CC1 ZINC001012160178 813018397 /nfs/dbraw/zinc/01/83/97/813018397.db2.gz OJURSAWREMVLSJ-SCZZXKLOSA-N -1 0 323.353 -0.405 20 0 DBADRM C/C=C(/C)C(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001012449793 813057890 /nfs/dbraw/zinc/05/78/90/813057890.db2.gz MWNUOZWGKOVWQM-JYUDYDOHSA-N -1 0 321.337 -0.032 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C2CCC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013420436 813139578 /nfs/dbraw/zinc/13/95/78/813139578.db2.gz CTSMRMZMGPGKKY-CBAPKCEASA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C2CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013420223 813139721 /nfs/dbraw/zinc/13/97/21/813139721.db2.gz BZQRAVVNCWFOLR-POYBYMJQSA-N -1 0 307.310 -0.588 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C2CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013493172 813141802 /nfs/dbraw/zinc/14/18/02/813141802.db2.gz SHAVLKPNFRNCOK-VXNVDRBHSA-N -1 0 309.326 -0.795 20 0 DBADRM CC(C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001013546833 813148530 /nfs/dbraw/zinc/14/85/30/813148530.db2.gz CFKDZLLASZESBX-NXEZZACHSA-N -1 0 322.365 -0.139 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3nc[nH]n3)C2)c1[O-] ZINC001013643253 813156297 /nfs/dbraw/zinc/15/62/97/813156297.db2.gz UJHYKSQDYQHNOF-POYBYMJQSA-N -1 0 319.325 -0.425 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3cnon3)C2)c1[O-] ZINC001013823280 813172892 /nfs/dbraw/zinc/17/28/92/813172892.db2.gz RGUPDLSGIITGOJ-POYBYMJQSA-N -1 0 320.309 -0.160 20 0 DBADRM CCC(=O)N[C@@]12CCC[C@@H]1N(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC001014106185 813209494 /nfs/dbraw/zinc/20/94/94/813209494.db2.gz FMFYOMLYRZUJKO-RMLUDKJBSA-N -1 0 321.337 -0.054 20 0 DBADRM CC(=O)N[C@]12CCC[C@@H]1N(C(=O)c1cnc([O-])n(C)c1=O)CC2 ZINC001014116037 813210874 /nfs/dbraw/zinc/21/08/74/813210874.db2.gz VQQSKKWJLOACEA-NHYWBVRUSA-N -1 0 320.349 -0.241 20 0 DBADRM CCC(=O)N1CC[C@]2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CCC[C@@H]12 ZINC001014362393 813222544 /nfs/dbraw/zinc/22/25/44/813222544.db2.gz RHXSTWRWLYOYTM-XLKFXECMSA-N -1 0 321.337 -0.054 20 0 DBADRM CC(=O)N1CC[C@@]2(NC(=O)c3cnc([O-])n(C)c3=O)CCC[C@H]12 ZINC001014364601 813223228 /nfs/dbraw/zinc/22/32/28/813223228.db2.gz XJOKZCBCPVXJKY-NHYWBVRUSA-N -1 0 320.349 -0.241 20 0 DBADRM COc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)ncn1 ZINC001014436560 813242859 /nfs/dbraw/zinc/24/28/59/813242859.db2.gz BKDKAQCSSZYBNB-MRVPVSSYSA-N -1 0 319.325 -0.687 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC001014514709 813259036 /nfs/dbraw/zinc/25/90/36/813259036.db2.gz OSKHAVHAJHAVHU-LPEHRKFASA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C2CC2)CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001014680361 813292401 /nfs/dbraw/zinc/29/24/01/813292401.db2.gz QSCLVPVOKJMSQH-APPZFPTMSA-N -1 0 321.337 -0.198 20 0 DBADRM CCn1nnc(C)c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014693782 813293723 /nfs/dbraw/zinc/29/37/23/813293723.db2.gz JHFKDJZZNUOMJM-VIFPVBQESA-N -1 0 320.357 -0.566 20 0 DBADRM C[C@@]1(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCNC(=O)C1 ZINC001014920330 813334996 /nfs/dbraw/zinc/33/49/96/813334996.db2.gz MTOPVMRWSVWCGH-YMTOWFKASA-N -1 0 322.369 -0.883 20 0 DBADRM CCc1c(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001015081731 813365258 /nfs/dbraw/zinc/36/52/58/813365258.db2.gz QXYNCLIGCQJKRW-SECBINFHSA-N -1 0 319.369 -0.190 20 0 DBADRM Cc1nocc1CN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015109127 813369472 /nfs/dbraw/zinc/36/94/72/813369472.db2.gz HLYMJFWQWDUCLU-SECBINFHSA-N -1 0 320.309 -0.416 20 0 DBADRM O=C(N[C@H]1CCN(Cc2ccon2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015110887 813370484 /nfs/dbraw/zinc/37/04/84/813370484.db2.gz XZYCKQRXWYEEJG-ZETCQYMHSA-N -1 0 306.282 -0.725 20 0 DBADRM O=C(N[C@H]1CCN(Cc2cnsn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015110771 813370612 /nfs/dbraw/zinc/37/06/12/813370612.db2.gz WGRMUXDDRSTHDL-LURJTMIESA-N -1 0 323.338 -0.861 20 0 DBADRM Cc1cc(CN2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)on1 ZINC001015110989 813370649 /nfs/dbraw/zinc/37/06/49/813370649.db2.gz ZSSVMHFXLVFTSO-QMMMGPOBSA-N -1 0 320.309 -0.416 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)[C@H]2C)c1[O-] ZINC001015176642 813381358 /nfs/dbraw/zinc/38/13/58/813381358.db2.gz FKACSTYTHKTQAZ-HTQZYQBOSA-N -1 0 309.326 -0.982 20 0 DBADRM COc1ccc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001015180844 813382328 /nfs/dbraw/zinc/38/23/28/813382328.db2.gz CPPVSWAJQKRTBL-JTQLQIEISA-N -1 0 318.337 -0.082 20 0 DBADRM O=C(NC[C@H]1CC[C@H](NC(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015285315 813401651 /nfs/dbraw/zinc/40/16/51/813401651.db2.gz ACDYWQVRFHXRSK-CBAPKCEASA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(NC[C@@H]1CC[C@@H](NC(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015285316 813401772 /nfs/dbraw/zinc/40/17/72/813401772.db2.gz ACDYWQVRFHXRSK-VXNVDRBHSA-N -1 0 321.337 -0.293 20 0 DBADRM CN1C(=O)CC[C@@H]1CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015493493 813435974 /nfs/dbraw/zinc/43/59/74/813435974.db2.gz PEWWZEBCYQRABX-NXEZZACHSA-N -1 0 322.369 -0.788 20 0 DBADRM O=C(N[C@H]1CC[C@@H](CNC(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015504807 813439374 /nfs/dbraw/zinc/43/93/74/813439374.db2.gz MYLZEMMJMHXHMC-APPZFPTMSA-N -1 0 321.337 -0.293 20 0 DBADRM CC(=O)NC[C@H]1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001015515197 813446503 /nfs/dbraw/zinc/44/65/03/813446503.db2.gz LZQDWCYYSMRLJF-UWVGGRQHSA-N -1 0 308.338 -0.480 20 0 DBADRM Cc1cnn(C)c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015571771 813465764 /nfs/dbraw/zinc/46/57/64/813465764.db2.gz YWJHMWLTNTVDEO-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1cnn(C)c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015571774 813466129 /nfs/dbraw/zinc/46/61/29/813466129.db2.gz YWJHMWLTNTVDEO-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cncnc1 ZINC001015606470 813473327 /nfs/dbraw/zinc/47/33/27/813473327.db2.gz CNOPWKLJDLXDEX-MWLCHTKSSA-N -1 0 317.353 -0.206 20 0 DBADRM Cc1ncc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC001015612457 813474751 /nfs/dbraw/zinc/47/47/51/813474751.db2.gz WFHVRTHNTSQRPD-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCCC(=O)N1 ZINC001015688005 813497085 /nfs/dbraw/zinc/49/70/85/813497085.db2.gz UZCVTWCKAFDCEM-NXEZZACHSA-N -1 0 322.369 -0.740 20 0 DBADRM NC(=O)c1coc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001015691531 813498406 /nfs/dbraw/zinc/49/84/06/813498406.db2.gz WYYNYISDJTYDRV-QMMMGPOBSA-N -1 0 320.309 -0.794 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001015716575 813511771 /nfs/dbraw/zinc/51/17/71/813511771.db2.gz YPHVLHFNLZZOJJ-UTLUCORTSA-N -1 0 322.369 -0.898 20 0 DBADRM Cc1ccn(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001015718231 813513085 /nfs/dbraw/zinc/51/30/85/813513085.db2.gz KGMWKNCXIAPTSV-SNVBAGLBSA-N -1 0 305.342 -0.594 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015777338 813522042 /nfs/dbraw/zinc/52/20/42/813522042.db2.gz LGAMYRHMTRLYRJ-JTQLQIEISA-N -1 0 305.342 -0.594 20 0 DBADRM COCc1nc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001015918119 813563987 /nfs/dbraw/zinc/56/39/87/813563987.db2.gz ROCFPQSOWUTZSW-MRVPVSSYSA-N -1 0 322.325 -0.351 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001015961745 813573499 /nfs/dbraw/zinc/57/34/99/813573499.db2.gz BCWROBKCXUQWIZ-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM COc1cccnc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016090903 813596880 /nfs/dbraw/zinc/59/68/80/813596880.db2.gz BXLWQOJACZKVRW-SECBINFHSA-N -1 0 318.337 -0.082 20 0 DBADRM Cc1nocc1CN1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016111502 813599456 /nfs/dbraw/zinc/59/94/56/813599456.db2.gz RGOVLYYYJYXEHM-SNVBAGLBSA-N -1 0 322.325 -0.624 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(Cc2ccccn2)C1 ZINC001016111163 813599563 /nfs/dbraw/zinc/59/95/63/813599563.db2.gz QGPZYGYUPNJKOW-NSHDSACASA-N -1 0 318.337 -0.525 20 0 DBADRM Cc1conc1CN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016110206 813600388 /nfs/dbraw/zinc/60/03/88/813600388.db2.gz JLORCFGHUBZTTI-VIFPVBQESA-N -1 0 322.325 -0.624 20 0 DBADRM O=C(Cn1ccccc1=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016216546 813621623 /nfs/dbraw/zinc/62/16/23/813621623.db2.gz HUMZGXBOTKESKE-JTQLQIEISA-N -1 0 318.337 -0.937 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CC(NC(=O)c3cnon3)C2)c1[O-] ZINC001016404529 813663732 /nfs/dbraw/zinc/66/37/32/813663732.db2.gz DKWVEGGJZZBPRA-UHFFFAOYSA-N -1 0 320.309 -0.160 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn(C)c1 ZINC001016448466 813674541 /nfs/dbraw/zinc/67/45/41/813674541.db2.gz JGMJWRNNXRTHTH-GXSJLCMTSA-N -1 0 319.369 -0.262 20 0 DBADRM CC(=O)NC1CC(N(C)C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001016522546 813683911 /nfs/dbraw/zinc/68/39/11/813683911.db2.gz JXWQMRIIYXZTJE-UHFFFAOYSA-N -1 0 303.322 -0.238 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC(NC(=O)CC2CC2)C1 ZINC001016790192 813720373 /nfs/dbraw/zinc/72/03/73/813720373.db2.gz CIGYWNZTRHDWIU-UHFFFAOYSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016819729 813725045 /nfs/dbraw/zinc/72/50/45/813725045.db2.gz KXEBSCFCJIUXPE-NFTFJBJSSA-N -1 0 323.353 -0.549 20 0 DBADRM CCC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001017862165 813843266 /nfs/dbraw/zinc/84/32/66/813843266.db2.gz PIVFICJSEKWJCE-HTQZYQBOSA-N -1 0 309.326 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)C(N)=O)C2)c1[O-] ZINC001018088211 813862379 /nfs/dbraw/zinc/86/23/79/813862379.db2.gz NDYJPNXMFRLZBE-POYBYMJQSA-N -1 0 309.326 -0.982 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)c2cn[nH]n2)CN1C(=O)c1cnon1 ZINC001018252706 813881457 /nfs/dbraw/zinc/88/14/57/813881457.db2.gz YXTYGYQPRRPJNC-HTQZYQBOSA-N -1 0 305.298 -0.389 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C1CC1 ZINC001018289732 813887334 /nfs/dbraw/zinc/88/73/34/813887334.db2.gz NIQDBHYULZONIG-APPZFPTMSA-N -1 0 321.337 -0.198 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)CC[C@@H]1C ZINC001018307008 813888291 /nfs/dbraw/zinc/88/82/91/813888291.db2.gz JZLVNNWQTQHWEY-WCBMZHEXSA-N -1 0 308.338 -0.385 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NCc3ncnn3C)C2)c1[O-] ZINC001018721339 813967162 /nfs/dbraw/zinc/96/71/62/813967162.db2.gz HDZFNVBJUFJQST-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](N[C@@H](C)c3nnnn3C)C2)c1[O-] ZINC001018722908 813967420 /nfs/dbraw/zinc/96/74/20/813967420.db2.gz DPOQAJCCEFURSK-IUCAKERBSA-N -1 0 320.357 -0.487 20 0 DBADRM CC(C)C(=O)N1CCC2(CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC001019240781 814103290 /nfs/dbraw/zinc/10/32/90/814103290.db2.gz BLMFRJNPXIJQCH-UHFFFAOYSA-N -1 0 323.353 -0.594 20 0 DBADRM CC(=O)N1CCO[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21 ZINC001019873773 814250200 /nfs/dbraw/zinc/25/02/00/814250200.db2.gz AGFMKGSHTJJKOG-WDEREUQCSA-N -1 0 308.338 -0.114 20 0 DBADRM Cc1ncsc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001021860362 814373056 /nfs/dbraw/zinc/37/30/56/814373056.db2.gz NDEFFPOSMRQBHT-DTORHVGOSA-N -1 0 322.394 -0.076 20 0 DBADRM O=C(c1ccncn1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029519404 814391972 /nfs/dbraw/zinc/39/19/72/814391972.db2.gz MVICZTIWDXPKSY-AOOOYVTPSA-N -1 0 315.337 -0.211 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc2[nH]ccc2c1 ZINC001030482394 814396451 /nfs/dbraw/zinc/39/64/51/814396451.db2.gz UVBIBKPLSXWOLN-UHFFFAOYSA-N -1 0 313.321 -0.048 20 0 DBADRM CN(C(=O)[C@H]1CCC(=O)NC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033222349 814449816 /nfs/dbraw/zinc/44/98/16/814449816.db2.gz PTHAPBAZZBAMDX-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCN(Cc2cnon2)C1 ZINC001033237065 814452833 /nfs/dbraw/zinc/45/28/33/814452833.db2.gz HWFPPORBOJETOL-MRVPVSSYSA-N -1 0 321.297 -0.988 20 0 DBADRM Cc1n[nH]cc1C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033313153 814470128 /nfs/dbraw/zinc/47/01/28/814470128.db2.gz IFZFKHWPZUFVEA-VIFPVBQESA-N -1 0 305.342 -0.112 20 0 DBADRM CN(C(=O)c1cn(C)c(=O)[nH]1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033392136 814499811 /nfs/dbraw/zinc/49/98/11/814499811.db2.gz WLWVLLZDSKTCPA-MRVPVSSYSA-N -1 0 321.341 -0.704 20 0 DBADRM CN(C(=O)[C@]1(C)CCC(=O)N1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033397202 814501624 /nfs/dbraw/zinc/50/16/24/814501624.db2.gz SPLUQWVQVQWPKA-XPTSAGLGSA-N -1 0 322.369 -0.788 20 0 DBADRM Cc1nc[nH]c1CC(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033620598 814554740 /nfs/dbraw/zinc/55/47/40/814554740.db2.gz RBBMAQCDGQCIRO-SNVBAGLBSA-N -1 0 319.369 -0.183 20 0 DBADRM Cc1nccn1CC(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033663886 814567181 /nfs/dbraw/zinc/56/71/81/814567181.db2.gz AJSBXWRIHBVAJJ-LLVKDONJSA-N -1 0 319.369 -0.252 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])[C@H]1CCN([C@@H](C)C(N)=O)C1 ZINC001033795899 814586525 /nfs/dbraw/zinc/58/65/25/814586525.db2.gz PCANGGMMRUKIAY-UWVGGRQHSA-N -1 0 309.370 -0.166 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001033807851 814588152 /nfs/dbraw/zinc/58/81/52/814588152.db2.gz ZNEXOVKIBHXBMR-GHMZBOCLSA-N -1 0 321.381 -0.151 20 0 DBADRM CCN(C(=O)c1ncn(C)n1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033820085 814590767 /nfs/dbraw/zinc/59/07/67/814590767.db2.gz IWUSTDMELPCWBB-SECBINFHSA-N -1 0 320.357 -0.625 20 0 DBADRM CCN(C(=O)c1cnc([O-])n(C)c1=O)[C@@H]1CCN(CCF)C1 ZINC001033919051 814606630 /nfs/dbraw/zinc/60/66/30/814606630.db2.gz JJCGWCQGADCCIH-SNVBAGLBSA-N -1 0 312.345 -0.008 20 0 DBADRM CCN(C(=O)[C@H]1CCNC1=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033919877 814607980 /nfs/dbraw/zinc/60/79/80/814607980.db2.gz OCICFXKCHNTJSQ-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CCN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033929721 814611913 /nfs/dbraw/zinc/61/19/13/814611913.db2.gz OYGAUGWKCKEMNT-DCQANWLSSA-N -1 0 321.381 -0.175 20 0 DBADRM CCN(C(=O)c1cnon1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033997834 814622377 /nfs/dbraw/zinc/62/23/77/814622377.db2.gz XJOCMDXYVVHPCY-QMMMGPOBSA-N -1 0 307.314 -0.370 20 0 DBADRM CCN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034028355 814626309 /nfs/dbraw/zinc/62/63/09/814626309.db2.gz ZFLXMVQNLAXHQV-ZJUUUORDSA-N -1 0 322.369 -0.788 20 0 DBADRM CCN(C(=O)c1nonc1C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034055470 814630631 /nfs/dbraw/zinc/63/06/31/814630631.db2.gz WSZKPTKMFXJGEE-VIFPVBQESA-N -1 0 321.341 -0.062 20 0 DBADRM O=C(Cc1cc[nH]n1)N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034141888 814636863 /nfs/dbraw/zinc/63/68/63/814636863.db2.gz IZRNURCDBFXXCN-LLVKDONJSA-N -1 0 319.369 -0.053 20 0 DBADRM CNC(=O)CN1CCCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001034170537 814638719 /nfs/dbraw/zinc/63/87/19/814638719.db2.gz VFVMHOBWYZPWLN-JTQLQIEISA-N -1 0 309.370 -0.246 20 0 DBADRM O=C(N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1COC(=O)N1 ZINC001034190128 814643775 /nfs/dbraw/zinc/64/37/75/814643775.db2.gz HUHWZYXWSQGIED-DTWKUNHWSA-N -1 0 324.341 -0.911 20 0 DBADRM Cn1cnc(C(=O)N[C@@H]2CCCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001034198301 814646336 /nfs/dbraw/zinc/64/63/36/814646336.db2.gz WPOCCGZOOWINAJ-SECBINFHSA-N -1 0 320.357 -0.577 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034341691 814667014 /nfs/dbraw/zinc/66/70/14/814667014.db2.gz YGAVMLNUQLLLPP-VIFPVBQESA-N -1 0 320.357 -0.279 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034404173 814676745 /nfs/dbraw/zinc/67/67/45/814676745.db2.gz HLKVCYYEMIVVQW-BBBLOLIVSA-N -1 0 322.369 -0.898 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]2CNCc2nncn2C)c1[O-] ZINC001034908939 814742398 /nfs/dbraw/zinc/74/23/98/814742398.db2.gz VAQLWQUSRKHWCK-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ccncc1 ZINC001035275635 814874355 /nfs/dbraw/zinc/87/43/55/814874355.db2.gz SUDMSYZPVSCEJD-NSHDSACASA-N -1 0 318.337 -0.464 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1cncs1 ZINC001035299975 814882427 /nfs/dbraw/zinc/88/24/27/814882427.db2.gz IKIQUHKBJKFGHD-QMMMGPOBSA-N -1 0 324.366 -0.402 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1cscn1 ZINC001035317026 814891164 /nfs/dbraw/zinc/89/11/64/814891164.db2.gz OHHHJGRGHFGRJE-QMMMGPOBSA-N -1 0 324.366 -0.402 20 0 DBADRM COC[C@@H](C)N1CCO[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001035342937 814898926 /nfs/dbraw/zinc/89/89/26/814898926.db2.gz MRCZPHJTNCNPPU-KOLCDFICSA-N -1 0 312.370 -0.111 20 0 DBADRM CO[C@@H](C)CN1CCO[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001035344854 814900040 /nfs/dbraw/zinc/90/00/40/814900040.db2.gz XXVOETKRTYKPFX-GXSJLCMTSA-N -1 0 312.370 -0.111 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)c3ccon3)C2)c1[O-] ZINC001041699370 815699030 /nfs/dbraw/zinc/69/90/30/815699030.db2.gz OCLPHVFRHYRALH-UHFFFAOYSA-N -1 0 321.293 -0.971 20 0 DBADRM CNC(=O)CN1CC[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001042015635 815797902 /nfs/dbraw/zinc/79/79/02/815797902.db2.gz JUVADVVRJNXMJO-GHMZBOCLSA-N -1 0 321.381 -0.294 20 0 DBADRM O=C(c1nc[nH]n1)N1CC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001042274582 815873899 /nfs/dbraw/zinc/87/38/99/815873899.db2.gz IFIBRMBANCTMFG-IUCAKERBSA-N -1 0 318.341 -0.635 20 0 DBADRM O=C(c1nc[nH]n1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001042274583 815874139 /nfs/dbraw/zinc/87/41/39/815874139.db2.gz IFIBRMBANCTMFG-RKDXNWHRSA-N -1 0 318.341 -0.635 20 0 DBADRM O=C(c1nc[nH]n1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001042274580 815874725 /nfs/dbraw/zinc/87/47/25/815874725.db2.gz IFIBRMBANCTMFG-BDAKNGLRSA-N -1 0 318.341 -0.635 20 0 DBADRM C[C@@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC001042498087 815930465 /nfs/dbraw/zinc/93/04/65/815930465.db2.gz AOHHMMRSOIGZMW-VIFPVBQESA-N -1 0 305.342 -0.389 20 0 DBADRM Cc1cc(CC(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001042549995 815948033 /nfs/dbraw/zinc/94/80/33/815948033.db2.gz GLUICBXLCRYKAU-UHFFFAOYSA-N -1 0 306.326 -0.308 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)/C=C/C3CC3)C2)c1[O-] ZINC001042572365 815956138 /nfs/dbraw/zinc/95/61/38/815956138.db2.gz JZTGWQGCLOOYKW-SNAWJCMRSA-N -1 0 320.349 -0.307 20 0 DBADRM CC[C@@H](F)C(=O)N1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001042580849 815958721 /nfs/dbraw/zinc/95/87/21/815958721.db2.gz VYLSOSKUWZWEFG-MRVPVSSYSA-N -1 0 314.317 -0.525 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC3(C)C)C2)c1[O-] ZINC001042593316 815961594 /nfs/dbraw/zinc/96/15/94/815961594.db2.gz WHTSHUCSYJARFV-SECBINFHSA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3(C)C)C2)c1[O-] ZINC001042593317 815961678 /nfs/dbraw/zinc/96/16/78/815961678.db2.gz WHTSHUCSYJARFV-VIFPVBQESA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(CC(=O)N(C)C3CC3)C2)c1[O-] ZINC001042607780 815965645 /nfs/dbraw/zinc/96/56/45/815965645.db2.gz RZUBVWQAPCEENB-UHFFFAOYSA-N -1 0 321.381 -0.199 20 0 DBADRM Cc1cc(CC(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001042605634 815965670 /nfs/dbraw/zinc/96/56/70/815965670.db2.gz VOAONDKFLKQNFY-UHFFFAOYSA-N -1 0 305.342 -0.573 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(Cc3cnnn3C)C2)c1[O-] ZINC001042619451 815970272 /nfs/dbraw/zinc/97/02/72/815970272.db2.gz DTEQQEKMEHGHFB-UHFFFAOYSA-N -1 0 305.342 -0.491 20 0 DBADRM CCn1nncc1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042686975 815995653 /nfs/dbraw/zinc/99/56/53/815995653.db2.gz AMQGLEVADRCTEI-UHFFFAOYSA-N -1 0 306.330 -0.922 20 0 DBADRM C[C@@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnn1C ZINC001042740244 816013006 /nfs/dbraw/zinc/01/30/06/816013006.db2.gz QILBUQGTOWDWCY-SECBINFHSA-N -1 0 319.369 -0.310 20 0 DBADRM CN(C(=O)[C@]1(C)CCNC(=O)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043065737 816105052 /nfs/dbraw/zinc/10/50/52/816105052.db2.gz RBXDKPVPTUVHFZ-CQSZACIVSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@H]1C[C@@H](C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC(=O)N1 ZINC001043186137 816137057 /nfs/dbraw/zinc/13/70/57/816137057.db2.gz DZVOOXTYXPCOOR-DTWKUNHWSA-N -1 0 322.369 -0.932 20 0 DBADRM CN(C(=O)c1cnn(CCF)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043183008 816137139 /nfs/dbraw/zinc/13/71/39/816137139.db2.gz CZKCFAUSHKKRSV-UHFFFAOYSA-N -1 0 323.332 -0.367 20 0 DBADRM C[C@H]1C[C@H](C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC(=O)N1 ZINC001043186138 816137188 /nfs/dbraw/zinc/13/71/88/816137188.db2.gz DZVOOXTYXPCOOR-IUCAKERBSA-N -1 0 322.369 -0.932 20 0 DBADRM C[C@H]1CC[C@@H](CN2CC(N(C)C(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC001043230868 816149417 /nfs/dbraw/zinc/14/94/17/816149417.db2.gz GUFAZXVMVWHYJB-WPRPVWTQSA-N -1 0 323.353 -0.394 20 0 DBADRM Cc1nocc1CN1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001043230748 816149699 /nfs/dbraw/zinc/14/96/99/816149699.db2.gz ABBYNZNTKFZZDC-UHFFFAOYSA-N -1 0 320.309 -0.464 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(Cc2ncccn2)C1 ZINC001043231064 816149889 /nfs/dbraw/zinc/14/98/89/816149889.db2.gz PLQDVWZWFWUULN-UHFFFAOYSA-N -1 0 317.309 -0.971 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N(C)C2CN(CCCO)C2)cc1=O ZINC001043243498 816151364 /nfs/dbraw/zinc/15/13/64/816151364.db2.gz NQYJWJNSBGJBDW-UHFFFAOYSA-N -1 0 324.425 -0.100 20 0 DBADRM CC[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043413473 816184191 /nfs/dbraw/zinc/18/41/91/816184191.db2.gz BGCOAOGAQJXQON-MNOVXSKESA-N -1 0 309.370 -0.032 20 0 DBADRM CO[C@H](C)CN1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001043509357 816206646 /nfs/dbraw/zinc/20/66/46/816206646.db2.gz CZUWJOFATMLAFO-SECBINFHSA-N -1 0 310.354 -0.723 20 0 DBADRM CN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(C/C=C\Cl)C1 ZINC001043511920 816207897 /nfs/dbraw/zinc/20/78/97/816207897.db2.gz YCALLPXNVNYOJN-ARJAWSKDSA-N -1 0 312.757 -0.005 20 0 DBADRM C[C@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cncnc1 ZINC001043615742 816234287 /nfs/dbraw/zinc/23/42/87/816234287.db2.gz CKTDQSYYELDOQU-VIFPVBQESA-N -1 0 317.353 -0.253 20 0 DBADRM CN(C(=O)C1(C)CCOCC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044057012 816346664 /nfs/dbraw/zinc/34/66/64/816346664.db2.gz JHBTTYFUMZCSNH-UHFFFAOYSA-N -1 0 309.370 -0.030 20 0 DBADRM CC(C)n1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001044106116 816357721 /nfs/dbraw/zinc/35/77/21/816357721.db2.gz DCGCYYSMGJUWLP-UHFFFAOYSA-N -1 0 320.357 -0.361 20 0 DBADRM Cc1nonc1CC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044124032 816364585 /nfs/dbraw/zinc/36/45/85/816364585.db2.gz OFQZSDHLUIILQI-UHFFFAOYSA-N -1 0 307.314 -0.913 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001044158493 816374254 /nfs/dbraw/zinc/37/42/54/816374254.db2.gz AGGGDUCXHQBFOK-VIFPVBQESA-N -1 0 322.369 -0.979 20 0 DBADRM CNC(=O)CN1CC(N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001044181614 816380547 /nfs/dbraw/zinc/38/05/47/816380547.db2.gz DPBCQUXBLZESFY-UHFFFAOYSA-N -1 0 319.321 -0.569 20 0 DBADRM CN(C(=O)c1cccn(C)c1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044200917 816385404 /nfs/dbraw/zinc/38/54/04/816385404.db2.gz RGLUTOKVVQCLFO-UHFFFAOYSA-N -1 0 318.337 -0.835 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(Cc2cccnc2)C1 ZINC001044230959 816388407 /nfs/dbraw/zinc/38/84/07/816388407.db2.gz HYWMWANJQVWZRD-UHFFFAOYSA-N -1 0 318.337 -0.573 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C/C=C/Cl)C1 ZINC001044236069 816389394 /nfs/dbraw/zinc/38/93/94/816389394.db2.gz IOMAUWDTEVUNAB-NSCUHMNNSA-N -1 0 301.734 -0.416 20 0 DBADRM Cc1ncc(CN2CC(N(C)C(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001044237192 816390397 /nfs/dbraw/zinc/39/03/97/816390397.db2.gz XNTBCQBRINDBEB-UHFFFAOYSA-N -1 0 322.325 -0.671 20 0 DBADRM CN(C(=O)c1ccc(=O)[nH]c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044257747 816393685 /nfs/dbraw/zinc/39/36/85/816393685.db2.gz SFNIUCXHIMKNHY-UHFFFAOYSA-N -1 0 304.310 -0.433 20 0 DBADRM CCc1ncncc1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044305170 816408618 /nfs/dbraw/zinc/40/86/18/816408618.db2.gz IFKOFMZJTSDXBN-UHFFFAOYSA-N -1 0 317.353 -0.181 20 0 DBADRM CN(C(=O)[C@H]1CCC(=O)N(C)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044339894 816418038 /nfs/dbraw/zinc/41/80/38/816418038.db2.gz ZNJIPEDRBWGHLZ-VIFPVBQESA-N -1 0 322.369 -0.979 20 0 DBADRM CN(C(=O)[C@@H]1CCC(=O)N(C)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044339893 816418062 /nfs/dbraw/zinc/41/80/62/816418062.db2.gz ZNJIPEDRBWGHLZ-SECBINFHSA-N -1 0 322.369 -0.979 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)CCCF)C2)c1[O-] ZINC001044841502 816509076 /nfs/dbraw/zinc/50/90/76/816509076.db2.gz GAJLZFSMDHPWLV-UHFFFAOYSA-N -1 0 314.317 -0.523 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]2CNCc2nnn(C)n2)c1[O-] ZINC001044998869 816537773 /nfs/dbraw/zinc/53/77/73/816537773.db2.gz QSXDZVRJBPFGSM-VIFPVBQESA-N -1 0 320.357 -0.658 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]2CNCc2nnnn2C)c1[O-] ZINC001044998825 816538171 /nfs/dbraw/zinc/53/81/71/816538171.db2.gz PSAUSLMCIFLUMC-VIFPVBQESA-N -1 0 320.357 -0.658 20 0 DBADRM CC1(NC(=O)[C@H]2COC(=O)N2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001045425906 816630465 /nfs/dbraw/zinc/63/04/65/816630465.db2.gz UVTVXBDVPGAADG-MRVPVSSYSA-N -1 0 324.341 -0.911 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C[C@@H]3C[C@@H]3C)C2)c1[O-] ZINC001045744319 816686273 /nfs/dbraw/zinc/68/62/73/816686273.db2.gz LULUHGYNRMFCBW-WPRPVWTQSA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1c(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001046146999 816765075 /nfs/dbraw/zinc/76/50/75/816765075.db2.gz LVFPSOARAIZFPX-AWEZNQCLSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@]1(NC(=O)[C@H]2COCCO2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046154257 816767742 /nfs/dbraw/zinc/76/77/42/816767742.db2.gz XDRBBQISVQKJQZ-RNCFNFMXSA-N -1 0 311.342 -0.994 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN(Cc3nncn3C)C2)c1[O-] ZINC001046246410 816792927 /nfs/dbraw/zinc/79/29/27/816792927.db2.gz ISCZDYUAUXPDJQ-CQSZACIVSA-N -1 0 319.369 -0.053 20 0 DBADRM COc1cc(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001046255536 816795556 /nfs/dbraw/zinc/79/55/56/816795556.db2.gz QNPGHMGCLVYAMC-ZDUSSCGKSA-N -1 0 322.325 -0.099 20 0 DBADRM Cc1ncn(C)c1C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046394175 816836747 /nfs/dbraw/zinc/83/67/47/816836747.db2.gz RWDFWIMYAWZRKB-CQSZACIVSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@]1(NC(=O)c2cnc[nH]c2=O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046410326 816843237 /nfs/dbraw/zinc/84/32/37/816843237.db2.gz YVFHRWCVUFZBCD-ZDUSSCGKSA-N -1 0 319.325 -0.600 20 0 DBADRM C[C@]1(NC(=O)[C@H]2CCC(=O)NC2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046445633 816852432 /nfs/dbraw/zinc/85/24/32/816852432.db2.gz SPZZBHOOIZRCKE-XPTSAGLGSA-N -1 0 322.369 -0.883 20 0 DBADRM Cn1cc(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]c1=O ZINC001046594972 816902099 /nfs/dbraw/zinc/90/20/99/816902099.db2.gz TWBGGXAXIRUTON-CYBMUJFWSA-N -1 0 321.341 -0.656 20 0 DBADRM Cn1ncc(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001046702124 816926139 /nfs/dbraw/zinc/92/61/39/816926139.db2.gz LLEXNWCWRVDSEY-GFCCVEGCSA-N -1 0 306.330 -0.967 20 0 DBADRM O=C(NC[C@H]1C[C@H](Nc2ncccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001047097043 817004105 /nfs/dbraw/zinc/00/41/05/817004105.db2.gz ZKSHPBADYOBUGP-ZKCHVHJHSA-N -1 0 317.309 -0.307 20 0 DBADRM CN(C(=O)c1ccncc1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047281535 817036650 /nfs/dbraw/zinc/03/66/50/817036650.db2.gz GDPNJDXQDADPGE-QWRGUYRKSA-N -1 0 318.337 -0.777 20 0 DBADRM CN(C(=O)c1ccco1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047285342 817037747 /nfs/dbraw/zinc/03/77/47/817037747.db2.gz YLJCXNXCHZYBIB-IUCAKERBSA-N -1 0 307.310 -0.579 20 0 DBADRM Cc1ccoc1C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047306476 817048030 /nfs/dbraw/zinc/04/80/30/817048030.db2.gz VELCPUJAESRFDD-UWVGGRQHSA-N -1 0 321.337 -0.271 20 0 DBADRM COC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001047349262 817078754 /nfs/dbraw/zinc/07/87/54/817078754.db2.gz ARHXNASTSOPTKQ-LSJOCFKGSA-N -1 0 312.370 -0.424 20 0 DBADRM CN(C(=O)c1ccsn1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047424130 817125087 /nfs/dbraw/zinc/12/50/87/817125087.db2.gz ZWRVTTXQWUJZLQ-IUCAKERBSA-N -1 0 324.366 -0.716 20 0 DBADRM CN(C(=O)c1cc(F)c[nH]1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047462299 817151628 /nfs/dbraw/zinc/15/16/28/817151628.db2.gz YEISOGAKNIHCJV-UWVGGRQHSA-N -1 0 324.316 -0.705 20 0 DBADRM CN(C(=O)[C@]1(C)C=CCC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047489145 817164595 /nfs/dbraw/zinc/16/45/95/817164595.db2.gz NOFIGGOPRVTPQN-ZIBATOQPSA-N -1 0 321.381 -0.130 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]2C[C@H]2C1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047496892 817168858 /nfs/dbraw/zinc/16/88/58/817168858.db2.gz NIVWPTQAQZAHMD-KNZXXDILSA-N -1 0 321.381 -0.440 20 0 DBADRM Cc1conc1C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047591111 817220478 /nfs/dbraw/zinc/22/04/78/817220478.db2.gz PXHFSZLNUKKPSY-IUCAKERBSA-N -1 0 322.325 -0.876 20 0 DBADRM Cc1c[nH]cc1C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047628370 817241046 /nfs/dbraw/zinc/24/10/46/817241046.db2.gz HOCJCQAMVNJNDH-QWRGUYRKSA-N -1 0 320.353 -0.536 20 0 DBADRM C[C@@H]1CO[C@@H](C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)C1 ZINC001048945171 817488580 /nfs/dbraw/zinc/48/85/80/817488580.db2.gz KWFFXQVYDXFQQO-NNYUYHANSA-N -1 0 321.381 -0.175 20 0 DBADRM C[C@@H]1CO[C@H](C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)C1 ZINC001048945180 817489862 /nfs/dbraw/zinc/48/98/62/817489862.db2.gz KWFFXQVYDXFQQO-YFKTTZPYSA-N -1 0 321.381 -0.175 20 0 DBADRM O=C(c1nc[nH]n1)N1CCC[C@@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001049797113 817638194 /nfs/dbraw/zinc/63/81/94/817638194.db2.gz GMZYODLCBBFRHE-BDAKNGLRSA-N -1 0 318.341 -0.493 20 0 DBADRM O=C(c1nc[nH]n1)N1CCC[C@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001049797118 817638558 /nfs/dbraw/zinc/63/85/58/817638558.db2.gz GMZYODLCBBFRHE-DTWKUNHWSA-N -1 0 318.341 -0.493 20 0 DBADRM CO[C@@H](C)C(=O)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001049988479 817662556 /nfs/dbraw/zinc/66/25/56/817662556.db2.gz PTZQOCUARAEMSE-GARJFASQSA-N -1 0 309.370 -0.032 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ccccn1 ZINC001050791176 817758488 /nfs/dbraw/zinc/75/84/88/817758488.db2.gz CSUAWLYFXXTGEY-JTQLQIEISA-N -1 0 318.337 -0.464 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2COCCN2Cc2n[nH]c(=O)[n-]2)no1 ZINC001050803238 817760560 /nfs/dbraw/zinc/76/05/60/817760560.db2.gz VDYCHNGPXOTMLZ-SECBINFHSA-N -1 0 322.325 -0.562 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2COCCN2Cc2n[nH]c(=O)[n-]2)on1 ZINC001050814852 817765396 /nfs/dbraw/zinc/76/53/96/817765396.db2.gz LXFSRGHPUXWAHT-VIFPVBQESA-N -1 0 322.325 -0.562 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1cocn1 ZINC001050841980 817774545 /nfs/dbraw/zinc/77/45/45/817774545.db2.gz NMZDRMYFURKWPQ-MRVPVSSYSA-N -1 0 308.298 -0.871 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)C1CC=CC1 ZINC001050852694 817778890 /nfs/dbraw/zinc/77/88/90/817778890.db2.gz QMHMJWCALDUMMN-LLVKDONJSA-N -1 0 307.354 -0.207 20 0 DBADRM Cc1ncoc1C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001050861355 817779491 /nfs/dbraw/zinc/77/94/91/817779491.db2.gz KXNGNGPSWOPOCJ-SECBINFHSA-N -1 0 322.325 -0.562 20 0 DBADRM Cc1ncoc1C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001050861356 817779985 /nfs/dbraw/zinc/77/99/85/817779985.db2.gz KXNGNGPSWOPOCJ-VIFPVBQESA-N -1 0 322.325 -0.562 20 0 DBADRM Cn1ccc(C(=O)NC[C@H]2COCCN2Cc2n[nH]c(=O)[n-]2)c1 ZINC001050877644 817782700 /nfs/dbraw/zinc/78/27/00/817782700.db2.gz DSDWWCHTPXCHCK-NSHDSACASA-N -1 0 320.353 -0.520 20 0 DBADRM Cc1nc(C(=O)NC[C@H]2COCCN2Cc2n[nH]c(=O)[n-]2)co1 ZINC001050881808 817783805 /nfs/dbraw/zinc/78/38/05/817783805.db2.gz JHVASIDWGBPDOD-VIFPVBQESA-N -1 0 322.325 -0.562 20 0 DBADRM Cc1cc[nH]c1C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001050904518 817789955 /nfs/dbraw/zinc/78/99/55/817789955.db2.gz GCODSVDMFIYLKC-JTQLQIEISA-N -1 0 320.353 -0.222 20 0 DBADRM O=C(NC[C@@H]1COCCN1CCC1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001051005703 817821526 /nfs/dbraw/zinc/82/15/26/817821526.db2.gz DBSDHHCTBOYDAT-SNVBAGLBSA-N -1 0 323.353 -0.487 20 0 DBADRM Cc1n[nH]cc1C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001051052579 817830843 /nfs/dbraw/zinc/83/08/43/817830843.db2.gz KKIPPMQIXFQMPZ-VIFPVBQESA-N -1 0 321.341 -0.827 20 0 DBADRM CCN1CCOC[C@@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC001051148785 817857002 /nfs/dbraw/zinc/85/70/02/817857002.db2.gz AYGXWUXVLPDLRA-JTQLQIEISA-N -1 0 305.338 -0.527 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cn[nH]n2)CCN1c1ccc2nnnn2n1 ZINC001051227215 817881765 /nfs/dbraw/zinc/88/17/65/817881765.db2.gz RMNALXNOBOOYRX-SFYZADRCSA-N -1 0 314.313 -0.965 20 0 DBADRM CCCN1CC2(C1)C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)CO2 ZINC001053993595 818064369 /nfs/dbraw/zinc/06/43/69/818064369.db2.gz PPLKFZKHBXMMIJ-VIFPVBQESA-N -1 0 311.342 -0.941 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NCc3nnn(C)n3)C2)c1[O-] ZINC001054569732 818141060 /nfs/dbraw/zinc/14/10/60/818141060.db2.gz GQUXQLYIQFXRTK-VXNVDRBHSA-N -1 0 320.357 -0.802 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NCc1ccon1 ZINC001054858851 818189561 /nfs/dbraw/zinc/18/95/61/818189561.db2.gz CHLUILNGALPFEW-APPZFPTMSA-N -1 0 320.309 -0.479 20 0 DBADRM CCC(=O)N[C@@]1(CO)CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001055662299 818271065 /nfs/dbraw/zinc/27/10/65/818271065.db2.gz UICWLPMMJSAMNY-AWEZNQCLSA-N -1 0 310.354 -0.083 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC001056680937 818434143 /nfs/dbraw/zinc/43/41/43/818434143.db2.gz LPUVDOJNAYXXFW-MRVPVSSYSA-N -1 0 305.298 -0.808 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](Nc2cc(F)ncn2)C1 ZINC001056823571 818492351 /nfs/dbraw/zinc/49/23/51/818492351.db2.gz QBMZVZHWTWZVLF-ZCFIWIBFSA-N -1 0 321.272 -0.462 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@@H]2C)c1[O-] ZINC001056850945 818499702 /nfs/dbraw/zinc/49/97/02/818499702.db2.gz JKZRRKRENMAHMC-WCBMZHEXSA-N -1 0 310.354 -0.370 20 0 DBADRM CCOCC(=O)N(CCO)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001056864868 818506637 /nfs/dbraw/zinc/50/66/37/818506637.db2.gz PTHUMPLGPKLIND-UHFFFAOYSA-N -1 0 314.342 -0.989 20 0 DBADRM C/C=C(/C)C(=O)N(CCO)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001057302264 818680793 /nfs/dbraw/zinc/68/07/93/818680793.db2.gz DASHGODREXYLKJ-WTKPLQERSA-N -1 0 310.354 -0.059 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@@H]2C)c1[O-] ZINC001057353598 818696402 /nfs/dbraw/zinc/69/64/02/818696402.db2.gz AKSYVZCTMKZTJD-WCBMZHEXSA-N -1 0 310.354 -0.370 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)c2ccon2)c1[O-] ZINC001057354331 818697219 /nfs/dbraw/zinc/69/72/19/818697219.db2.gz UPJLVQYISQUBQS-UHFFFAOYSA-N -1 0 323.309 -0.724 20 0 DBADRM CCC(=O)NCCN(CCO)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001058152790 818874872 /nfs/dbraw/zinc/87/48/72/818874872.db2.gz CIUWISSDZZHVTO-UHFFFAOYSA-N -1 0 322.321 -0.111 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(c2ncc(F)cn2)C1 ZINC001058413032 818945745 /nfs/dbraw/zinc/94/57/45/818945745.db2.gz JAHYAYYJZNBGNH-QMMMGPOBSA-N -1 0 323.288 -0.987 20 0 DBADRM O=C(N[C@H]1CCN(c2cc(F)ncn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001058604343 819005349 /nfs/dbraw/zinc/00/53/49/819005349.db2.gz WODOEYCXLYKJFE-LURJTMIESA-N -1 0 321.272 -0.779 20 0 DBADRM CC(=O)NCCN(CCO)C(=O)c1n[n-]c2ccccc2c1=O ZINC001058896643 819073479 /nfs/dbraw/zinc/07/34/79/819073479.db2.gz RUIGGZPANVCCPG-UHFFFAOYSA-N -1 0 318.333 -0.094 20 0 DBADRM Cc1ccc(N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)nn1 ZINC001058936523 819081194 /nfs/dbraw/zinc/08/11/94/819081194.db2.gz NQRGZMZCHIEMNO-VIFPVBQESA-N -1 0 319.325 -0.499 20 0 DBADRM CCC(=O)N1CC[C@H](CCNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001058960683 819090442 /nfs/dbraw/zinc/09/04/42/819090442.db2.gz ORIPQBSYTNWVBH-JTQLQIEISA-N -1 0 322.365 -0.136 20 0 DBADRM CC(=O)N1CC[C@H](CCNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001058980413 819093594 /nfs/dbraw/zinc/09/35/94/819093594.db2.gz MEKUCTNBDYUQEU-JTQLQIEISA-N -1 0 323.353 -0.410 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC[C@H]1CCN(C(=O)C2CC2)C1 ZINC001058989732 819095694 /nfs/dbraw/zinc/09/56/94/819095694.db2.gz WZLUREMXEYDAHC-VIFPVBQESA-N -1 0 323.353 -0.546 20 0 DBADRM Cc1ccc(N[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1 ZINC001059118572 819111257 /nfs/dbraw/zinc/11/12/57/819111257.db2.gz PQMQHHRIDUBIMA-QMMMGPOBSA-N -1 0 317.309 -0.292 20 0 DBADRM O=C(N[C@H]1C[C@H](Nc2ncccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001059468252 819146674 /nfs/dbraw/zinc/14/66/74/819146674.db2.gz CSWOCKKBNKCDJF-LJGSYFOKSA-N -1 0 303.282 -0.554 20 0 DBADRM O=C(N[C@H]1C[C@@H](Nc2ncccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001059882282 819183593 /nfs/dbraw/zinc/18/35/93/819183593.db2.gz CSWOCKKBNKCDJF-KNVOCYPGSA-N -1 0 303.282 -0.554 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCOC[C@H]2CNC(=O)C(F)F)c1[O-] ZINC001061151324 819250282 /nfs/dbraw/zinc/25/02/82/819250282.db2.gz ZCMLEQKWZBRDJC-SSDOTTSWSA-N -1 0 318.280 -0.354 20 0 DBADRM CCC(=O)N1CCCC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001061948986 819439538 /nfs/dbraw/zinc/43/95/38/819439538.db2.gz JYRHQXBLKKFZNF-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1(CNC(=O)C(F)F)CCC1 ZINC001062375128 819474980 /nfs/dbraw/zinc/47/49/80/819474980.db2.gz WSPRWBUIFJERAV-UHFFFAOYSA-N -1 0 319.268 -0.891 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1(CNC(=O)C2CC2)CCC1 ZINC001062377774 819475820 /nfs/dbraw/zinc/47/58/20/819475820.db2.gz OEZWPGNYKFTXEB-UHFFFAOYSA-N -1 0 309.326 -0.746 20 0 DBADRM CCC(=O)NC1(CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001063586733 819618149 /nfs/dbraw/zinc/61/81/49/819618149.db2.gz DLNQOYXKPQFCNL-UHFFFAOYSA-N -1 0 323.353 -0.220 20 0 DBADRM CCCC(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001063788225 819638704 /nfs/dbraw/zinc/63/87/04/819638704.db2.gz HRDSTQATWOVLNG-UHFFFAOYSA-N -1 0 309.326 -0.148 20 0 DBADRM CC(C)=CC(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001063865852 819641602 /nfs/dbraw/zinc/64/16/02/819641602.db2.gz OUQBNRHBXINVNE-UHFFFAOYSA-N -1 0 323.353 -0.189 20 0 DBADRM CC(C)C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001063866072 819641718 /nfs/dbraw/zinc/64/17/18/819641718.db2.gz VFUYAYUUCMPMKY-UHFFFAOYSA-N -1 0 311.342 -0.500 20 0 DBADRM CC(=O)NC1(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCC1 ZINC001063989723 819652133 /nfs/dbraw/zinc/65/21/33/819652133.db2.gz JUBKHOHFDNLQIP-UHFFFAOYSA-N -1 0 318.337 -0.754 20 0 DBADRM CC(=O)N1CCC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001066306061 819996239 /nfs/dbraw/zinc/99/62/39/819996239.db2.gz QVDAUOBVNDBYTQ-JTQLQIEISA-N -1 0 323.353 -0.267 20 0 DBADRM CN(CCCN(C)C(=O)C1CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001066579686 820020162 /nfs/dbraw/zinc/02/01/62/820020162.db2.gz OMKAEPFUMHVSLX-UHFFFAOYSA-N -1 0 309.326 -0.387 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CC(CNc2ncccn2)C1 ZINC001067860303 820139254 /nfs/dbraw/zinc/13/92/54/820139254.db2.gz VYYRWQYOEJKGLT-UHFFFAOYSA-N -1 0 319.325 -0.514 20 0 DBADRM CC(=O)N1CCC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001070340865 820447767 /nfs/dbraw/zinc/44/77/67/820447767.db2.gz KGJNPHMYFNRXNW-SECBINFHSA-N -1 0 309.326 -0.658 20 0 DBADRM O=C(C1CC1)N1CCC(=O)NCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001070929228 820564869 /nfs/dbraw/zinc/56/48/69/820564869.db2.gz YANWGBSENRYLSE-UHFFFAOYSA-N -1 0 322.369 -0.929 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)C2=COCCO2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071329354 820670610 /nfs/dbraw/zinc/67/06/10/820670610.db2.gz KDQAWFIUNWFKDR-VHSXEESVSA-N -1 0 323.353 -0.132 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)Cc2cc[nH]n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071402623 820678425 /nfs/dbraw/zinc/67/84/25/820678425.db2.gz VCJCISSZLLKCCN-KOLCDFICSA-N -1 0 319.369 -0.055 20 0 DBADRM CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001071433480 820683932 /nfs/dbraw/zinc/68/39/32/820683932.db2.gz RUNXXIXNIPYKAP-SCZZXKLOSA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)c2cnnn2C)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071482427 820694706 /nfs/dbraw/zinc/69/47/06/820694706.db2.gz YWPYPHIYWIFJTQ-BDAKNGLRSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)c2cn(C)nn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071487747 820695841 /nfs/dbraw/zinc/69/58/41/820695841.db2.gz NFEFSZWSHGAIHR-RKDXNWHRSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)c2cnon2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071913666 820808101 /nfs/dbraw/zinc/80/81/01/820808101.db2.gz HFUSQFBHMIIJDX-HTQZYQBOSA-N -1 0 307.314 -0.324 20 0 DBADRM CNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001071965893 820824441 /nfs/dbraw/zinc/82/44/41/820824441.db2.gz DZQWTSSDMLSOTR-IONNQARKSA-N -1 0 323.353 -0.863 20 0 DBADRM CNC(=O)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001071965894 820824923 /nfs/dbraw/zinc/82/49/23/820824923.db2.gz DZQWTSSDMLSOTR-VXNVDRBHSA-N -1 0 323.353 -0.863 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001072362031 820908687 /nfs/dbraw/zinc/90/86/87/820908687.db2.gz KMEKJNDFSLDTKQ-WCBMZHEXSA-N -1 0 311.342 -0.548 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001072454616 820923661 /nfs/dbraw/zinc/92/36/61/820923661.db2.gz ZOUBAWPQQBVPGH-QNVIJMGISA-N -1 0 321.337 -0.174 20 0 DBADRM O=C(c1cnns1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072515128 820937976 /nfs/dbraw/zinc/93/79/76/820937976.db2.gz QCDKFHADXNFPMR-UHFFFAOYSA-N -1 0 321.366 -0.290 20 0 DBADRM O=C([C@@H]1CCCOC1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072538932 820946326 /nfs/dbraw/zinc/94/63/26/820946326.db2.gz AGADBMVFLJAPJZ-LLVKDONJSA-N -1 0 321.381 -0.029 20 0 DBADRM Cc1nc(C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)c[nH]1 ZINC001072550192 820948926 /nfs/dbraw/zinc/94/89/26/820948926.db2.gz PNVKLFACANZRIN-UHFFFAOYSA-N -1 0 317.353 -0.110 20 0 DBADRM Cc1c[nH]nc1C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072713882 820994765 /nfs/dbraw/zinc/99/47/65/820994765.db2.gz QCURSZKNBACDFI-UHFFFAOYSA-N -1 0 317.353 -0.110 20 0 DBADRM Cn1cncc1C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072899860 821042955 /nfs/dbraw/zinc/04/29/55/821042955.db2.gz PYQVAZBSKNQTNP-UHFFFAOYSA-N -1 0 317.353 -0.408 20 0 DBADRM O=C(c1ccnnc1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001073012688 821070215 /nfs/dbraw/zinc/07/02/15/821070215.db2.gz ZWNSJNIBEPQXAJ-UHFFFAOYSA-N -1 0 315.337 -0.352 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1cc[nH]c1 ZINC001073618032 821184764 /nfs/dbraw/zinc/18/47/64/821184764.db2.gz SAGCEBMTXKLQBC-NSHDSACASA-N -1 0 320.353 -0.141 20 0 DBADRM O=C(C1CC1)N1CC[C@H]2OCCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001074128353 821290708 /nfs/dbraw/zinc/29/07/08/821290708.db2.gz PMJOVERZBMXGLG-GHMZBOCLSA-N -1 0 307.354 -0.278 20 0 DBADRM CC(C)C(=O)N1CC[C@H]2OCCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001074175480 821298079 /nfs/dbraw/zinc/29/80/79/821298079.db2.gz VGQJYCWPMNLXLC-WDEREUQCSA-N -1 0 309.370 -0.032 20 0 DBADRM COCCN1CCO[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001074218771 821310374 /nfs/dbraw/zinc/31/03/74/821310374.db2.gz DXCXXEYOSVJKPI-NEPJUHHUSA-N -1 0 324.381 -0.015 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)CC(N)=O)C[C@H]2C)c1[O-] ZINC001074909899 821459778 /nfs/dbraw/zinc/45/97/78/821459778.db2.gz RMCMNEXKBSJERB-APPZFPTMSA-N -1 0 323.353 -0.592 20 0 DBADRM CC(=O)NCC[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001075232853 821498697 /nfs/dbraw/zinc/49/86/97/821498697.db2.gz XFWGZPVXMPHSCD-QMMMGPOBSA-N -1 0 306.326 -0.898 20 0 DBADRM C[C@@H](CCNC(=O)C(F)F)NC(=O)c1cnc([O-])n(C)c1=O ZINC001075253324 821501140 /nfs/dbraw/zinc/50/11/40/821501140.db2.gz YDBGTDVWKDWZOZ-LURJTMIESA-N -1 0 318.280 -0.624 20 0 DBADRM C[C@@H](CCNC(=O)C1CCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001075289583 821502503 /nfs/dbraw/zinc/50/25/03/821502503.db2.gz USGJHYGPJDMSGH-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@@H](CCNC(=O)CC1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001075309149 821504142 /nfs/dbraw/zinc/50/41/42/821504142.db2.gz HDWKFXBKIWLDOK-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM CNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001075692259 821571987 /nfs/dbraw/zinc/57/19/87/821571987.db2.gz QMRHHGQRKDIXKJ-OUAUKWLOSA-N -1 0 321.381 -0.295 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001076166434 821677562 /nfs/dbraw/zinc/67/75/62/821677562.db2.gz KHMZCFIOFUZSAE-CPOMMVLXSA-N -1 0 322.365 -0.059 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076257335 821705346 /nfs/dbraw/zinc/70/53/46/821705346.db2.gz QYIDFBZZYVFARH-XZUYRWCXSA-N -1 0 321.381 -0.032 20 0 DBADRM O=C(c1ncccn1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076385011 821741406 /nfs/dbraw/zinc/74/14/06/821741406.db2.gz DLXXDZNMHGDEFK-VHSXEESVSA-N -1 0 315.337 -0.353 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cncc(F)c1 ZINC001076870985 821897562 /nfs/dbraw/zinc/89/75/62/821897562.db2.gz IIOPBFMIAYUCCZ-NXEZZACHSA-N -1 0 322.300 -0.981 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccnn3C)C[C@H]2O)c1[O-] ZINC001076889988 821907367 /nfs/dbraw/zinc/90/73/67/821907367.db2.gz CTNNDYYOHDYICF-GHMZBOCLSA-N -1 0 320.353 -0.868 20 0 DBADRM C[C@@]1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CC=CCC1 ZINC001077051882 821978710 /nfs/dbraw/zinc/97/87/10/821978710.db2.gz LBMNNEBZSSWZQR-UEKVPHQBSA-N -1 0 321.381 -0.082 20 0 DBADRM CCc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)o1 ZINC001077244817 822044692 /nfs/dbraw/zinc/04/46/92/822044692.db2.gz AZBPMOXYFWXREB-NXEZZACHSA-N -1 0 321.337 -0.359 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1(F)CCCC1 ZINC001077269990 822054154 /nfs/dbraw/zinc/05/41/54/822054154.db2.gz BAMSSGIDRAYZMY-RKDXNWHRSA-N -1 0 313.333 -0.546 20 0 DBADRM C[C@]1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)C[C@H]2C[C@H]2C1 ZINC001077440065 822112846 /nfs/dbraw/zinc/11/28/46/822112846.db2.gz CSCWYGYGMZETCX-MKMFFTSQSA-N -1 0 321.381 -0.392 20 0 DBADRM Cc1coc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1 ZINC001077541084 822146360 /nfs/dbraw/zinc/14/63/60/822146360.db2.gz NRPQMBAVVMPETO-RKDXNWHRSA-N -1 0 307.310 -0.613 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)c1cc[nH]c1 ZINC001077577926 822159070 /nfs/dbraw/zinc/15/90/70/822159070.db2.gz FHYFJYYLTWXBRZ-ZETCQYMHSA-N -1 0 320.309 -0.451 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CCC1 ZINC001077578307 822159371 /nfs/dbraw/zinc/15/93/71/822159371.db2.gz WQFLTQQZCSJJPY-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)c1ccco1 ZINC001077577258 822159573 /nfs/dbraw/zinc/15/95/73/822159573.db2.gz XWISNUKINGMCIN-ZETCQYMHSA-N -1 0 321.293 -0.186 20 0 DBADRM CC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CC=CC1 ZINC001077623588 822170237 /nfs/dbraw/zinc/17/02/37/822170237.db2.gz RPKDJXXVEPHQIW-NXEZZACHSA-N -1 0 307.354 -0.472 20 0 DBADRM Cc1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c(C)o1 ZINC001077890056 822265844 /nfs/dbraw/zinc/26/58/44/822265844.db2.gz YAUMUCLVBQXABS-RKDXNWHRSA-N -1 0 322.325 -0.910 20 0 DBADRM CCO[C@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1CC1 ZINC001112860873 828424700 /nfs/dbraw/zinc/42/47/00/828424700.db2.gz DKBCXOQXXVLCLH-LBPRGKRZSA-N -1 0 309.370 -0.030 20 0 DBADRM CCOCCCN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001113071426 828455863 /nfs/dbraw/zinc/45/58/63/828455863.db2.gz XWAAANYWBJVBHF-UHFFFAOYSA-N -1 0 311.342 -0.533 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H](C)Nc1ncccn1 ZINC001113110707 828458906 /nfs/dbraw/zinc/45/89/06/828458906.db2.gz WBXMKTWBSVXMRI-HTQZYQBOSA-N -1 0 307.314 -0.515 20 0 DBADRM Cc1nccc(N[C@@H](C)[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001113109830 828459316 /nfs/dbraw/zinc/45/93/16/828459316.db2.gz ITURXBDAEDSPPD-YUMQZZPRSA-N -1 0 321.341 -0.207 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001118535580 829101588 /nfs/dbraw/zinc/10/15/88/829101588.db2.gz AYWLFFYYLGFGJC-JLTPVHFHSA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H](C)Nc1cnc(F)cn1 ZINC001113364265 828488792 /nfs/dbraw/zinc/48/87/92/828488792.db2.gz KZYZXPFCIHNTCI-PHDIDXHHSA-N -1 0 323.288 -0.169 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001118542918 829102376 /nfs/dbraw/zinc/10/23/76/829102376.db2.gz ZAKQCOLLWFHCRN-QWRGUYRKSA-N -1 0 309.384 -0.090 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113436446 828498385 /nfs/dbraw/zinc/49/83/85/828498385.db2.gz JLXXBALMJAQRNQ-UHFFFAOYSA-N -1 0 310.358 -0.931 20 0 DBADRM COCCCOCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113513522 828509425 /nfs/dbraw/zinc/50/94/25/828509425.db2.gz QNDQDNHNUOTIBP-UHFFFAOYSA-N -1 0 313.358 -0.792 20 0 DBADRM CN(C)C(=O)C1(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001113523710 828511197 /nfs/dbraw/zinc/51/11/97/828511197.db2.gz HFNXPNMNAIUWSP-UHFFFAOYSA-N -1 0 322.369 -0.977 20 0 DBADRM Cc1ccc(N(C)[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001113682321 828538187 /nfs/dbraw/zinc/53/81/87/828538187.db2.gz XBIAVZCQRCRAFO-SECBINFHSA-N -1 0 321.341 -0.571 20 0 DBADRM CCOCCOCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113692048 828540049 /nfs/dbraw/zinc/54/00/49/828540049.db2.gz CJGCOHJJLXQCAY-UHFFFAOYSA-N -1 0 313.358 -0.792 20 0 DBADRM C[C@@H](CCNC(=O)C(C)(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001078315105 823765982 /nfs/dbraw/zinc/76/59/82/823765982.db2.gz XSVUNCKMBDIHGX-ZETCQYMHSA-N -1 0 311.342 -0.047 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001078648003 823814955 /nfs/dbraw/zinc/81/49/55/823814955.db2.gz OOWACUGQMXQDGL-DJLDLDEBSA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1cnc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)cn1 ZINC001079378950 823875064 /nfs/dbraw/zinc/87/50/64/823875064.db2.gz PIVXHJHTGZRREX-LDYMZIIASA-N -1 0 317.353 -0.141 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)n(C)n1 ZINC001079466098 823892725 /nfs/dbraw/zinc/89/27/25/823892725.db2.gz QYGNMYVNLXZBOY-PSASIEDQSA-N -1 0 319.369 -0.197 20 0 DBADRM CCn1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)cn1 ZINC001079505431 823902814 /nfs/dbraw/zinc/90/28/14/823902814.db2.gz YBQFUPJVXDCNAG-MWLCHTKSSA-N -1 0 319.369 -0.023 20 0 DBADRM CCn1nncc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001079665808 823943001 /nfs/dbraw/zinc/94/30/01/823943001.db2.gz MXTFGXIVLCRIAK-RKDXNWHRSA-N -1 0 320.357 -0.628 20 0 DBADRM Cc1c[nH]nc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001079675306 823944092 /nfs/dbraw/zinc/94/40/92/823944092.db2.gz QCWRKYAZXTXEKN-RKDXNWHRSA-N -1 0 305.342 -0.208 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)[C@@H]2C[C@@H]2C)C1 ZINC001080201249 824011649 /nfs/dbraw/zinc/01/16/49/824011649.db2.gz WYPIWCYTRFWFBM-WCBMZHEXSA-N -1 0 323.353 -0.595 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C2CC2)C1 ZINC001080201269 824012045 /nfs/dbraw/zinc/01/20/45/824012045.db2.gz XXPPYICHWOVXPU-UHFFFAOYSA-N -1 0 309.326 -0.841 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@]1(C)CCOC1 ZINC001080675727 824078209 /nfs/dbraw/zinc/07/82/09/824078209.db2.gz CELGGSBHSDDGFO-GPCCPHFNSA-N -1 0 309.370 -0.127 20 0 DBADRM Cc1nccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)n1 ZINC001080962120 824115312 /nfs/dbraw/zinc/11/53/12/824115312.db2.gz OQAMKJWHIFKBCH-LDYMZIIASA-N -1 0 317.353 -0.141 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cc(C)on1 ZINC001081329124 824206283 /nfs/dbraw/zinc/20/62/83/824206283.db2.gz UQTMSWGKNCNOFH-NXEZZACHSA-N -1 0 322.325 -0.564 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1=COCCC1 ZINC001081429464 824245874 /nfs/dbraw/zinc/24/58/74/824245874.db2.gz LXHOGAMYFBKZPN-GHMZBOCLSA-N -1 0 323.353 -0.480 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H](C)C1CC1 ZINC001081499846 824276997 /nfs/dbraw/zinc/27/69/97/824276997.db2.gz INSTWNCUWUSHOI-FBIMIBRVSA-N -1 0 309.370 -0.128 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(CC(=O)NC(C)C)C[C@H]32)c1[O-] ZINC001114140247 828632771 /nfs/dbraw/zinc/63/27/71/828632771.db2.gz BUDCWFRAUDJJQG-IAZYJMLFSA-N -1 0 321.381 -0.392 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1CC1(C)C ZINC001081548911 824292390 /nfs/dbraw/zinc/29/23/90/824292390.db2.gz YHRRWRRGMBKMEX-OPRDCNLKSA-N -1 0 309.370 -0.128 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001082048248 824392709 /nfs/dbraw/zinc/39/27/09/824392709.db2.gz LOCNSSRBFFPKKK-YBXAARCKSA-N -1 0 321.381 -0.128 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1ccc[nH]1 ZINC001082379762 824432479 /nfs/dbraw/zinc/43/24/79/824432479.db2.gz KWXFJUPTVXDJKA-GHMZBOCLSA-N -1 0 320.353 -0.604 20 0 DBADRM O=C(C1CCC1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001082974118 824474915 /nfs/dbraw/zinc/47/49/15/824474915.db2.gz FBUDEEICKNGYDE-WDEREUQCSA-N -1 0 307.354 -0.278 20 0 DBADRM CC(C)CC(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001082983320 824476771 /nfs/dbraw/zinc/47/67/71/824476771.db2.gz ZZZXZXDTIMSPHP-WDEREUQCSA-N -1 0 309.370 -0.032 20 0 DBADRM O=C(CC1CCCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083318461 824539932 /nfs/dbraw/zinc/53/99/32/824539932.db2.gz SWSOFGSMSFPNGL-MNOVXSKESA-N -1 0 309.370 -0.248 20 0 DBADRM Cc1[nH]ccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083396384 824597549 /nfs/dbraw/zinc/59/75/49/824597549.db2.gz LHJVIWJMGWTNCB-ZJUUUORDSA-N -1 0 306.326 -0.878 20 0 DBADRM Cc1conc1CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001083410118 824606059 /nfs/dbraw/zinc/60/60/59/824606059.db2.gz UKAOWKFFNGEFOE-MNOVXSKESA-N -1 0 321.337 -0.305 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cnns3)C[C@@H]2O)c1[O-] ZINC001083410207 824606544 /nfs/dbraw/zinc/60/65/44/824606544.db2.gz XFZAQTSXGNGYOP-BDAKNGLRSA-N -1 0 324.366 -0.750 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)co1 ZINC001083427847 824617469 /nfs/dbraw/zinc/61/74/69/824617469.db2.gz XWCNJCFWCIGMTG-ZJUUUORDSA-N -1 0 307.310 -0.613 20 0 DBADRM C[C@@]1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CC=CCC1 ZINC001083488476 824645939 /nfs/dbraw/zinc/64/59/39/824645939.db2.gz LBMNNEBZSSWZQR-JRPNMDOOSA-N -1 0 321.381 -0.082 20 0 DBADRM Cc1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cs1 ZINC001083723885 824748406 /nfs/dbraw/zinc/74/84/06/824748406.db2.gz GOSOQZKWKFWXCR-APPZFPTMSA-N -1 0 324.366 -0.750 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@H]1CC12CCCC2 ZINC001083921675 824827261 /nfs/dbraw/zinc/82/72/61/824827261.db2.gz TVQGHULUVXWCOL-MXWKQRLJSA-N -1 0 321.381 -0.248 20 0 DBADRM O=C([C@H]1CCCO1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084173550 824903583 /nfs/dbraw/zinc/90/35/83/824903583.db2.gz UNJVGEDLFHLEGN-GMTAPVOTSA-N -1 0 307.354 -0.278 20 0 DBADRM O=C([C@@H]1CCCO1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084173551 824903768 /nfs/dbraw/zinc/90/37/68/824903768.db2.gz UNJVGEDLFHLEGN-MXWKQRLJSA-N -1 0 307.354 -0.278 20 0 DBADRM Cn1cncc1C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084491525 824943092 /nfs/dbraw/zinc/94/30/92/824943092.db2.gz SWEMCIQSNAHSMN-MWLCHTKSSA-N -1 0 317.353 -0.410 20 0 DBADRM O=C(c1ncccn1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084733932 824971173 /nfs/dbraw/zinc/97/11/73/824971173.db2.gz OBIAKICXNURDBQ-NXEZZACHSA-N -1 0 315.337 -0.353 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)C1CCOCC1 ZINC001085454637 825018901 /nfs/dbraw/zinc/01/89/01/825018901.db2.gz QPPKNLIZZBBSJY-LLVKDONJSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cc[n+]([O-])cc1 ZINC001085471250 825021410 /nfs/dbraw/zinc/02/14/10/825021410.db2.gz KCKLZCXVYGJLHN-NSHDSACASA-N -1 0 318.337 -0.510 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ccc(=O)[nH]n1 ZINC001085472644 825022223 /nfs/dbraw/zinc/02/22/23/825022223.db2.gz QZAHWWHMKIZPNR-QMMMGPOBSA-N -1 0 319.325 -0.648 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001085503049 825028421 /nfs/dbraw/zinc/02/84/21/825028421.db2.gz NOIHJRYUKUNLPK-VIFPVBQESA-N -1 0 305.342 -0.112 20 0 DBADRM CNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001085543567 825037558 /nfs/dbraw/zinc/03/75/58/825037558.db2.gz ADOCQFSMJKVWQW-ZJUUUORDSA-N -1 0 309.370 -0.295 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cccc(=O)[nH]1 ZINC001085532919 825037723 /nfs/dbraw/zinc/03/77/23/825037723.db2.gz XSTZTNGIPKYEJG-VIFPVBQESA-N -1 0 318.337 -0.043 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2[C@H]2CCN(C)C2=O)c1[O-] ZINC001085543648 825039211 /nfs/dbraw/zinc/03/92/11/825039211.db2.gz BTFBXFIETGUEET-QWRGUYRKSA-N -1 0 321.381 -0.199 20 0 DBADRM CC[C@H](C(N)=O)N1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001085544664 825039226 /nfs/dbraw/zinc/03/92/26/825039226.db2.gz VBOISUYKQHOQLU-VHSXEESVSA-N -1 0 309.370 -0.166 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2Cc2cnnn2C)c1[O-] ZINC001085550509 825042037 /nfs/dbraw/zinc/04/20/37/825042037.db2.gz WLKROUPUMHBBLU-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2Cc2nncn2C)c1[O-] ZINC001085549964 825042107 /nfs/dbraw/zinc/04/21/07/825042107.db2.gz IASJIBHQXDHONF-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2Cc2nnn(C)n2)c1[O-] ZINC001085550104 825042224 /nfs/dbraw/zinc/04/22/24/825042224.db2.gz LIYCHAWCUJBWRQ-SECBINFHSA-N -1 0 320.357 -0.706 20 0 DBADRM CC(=O)N1CC(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001085567265 825045600 /nfs/dbraw/zinc/04/56/00/825045600.db2.gz DINWREOQMRVUDY-NSHDSACASA-N -1 0 322.369 -0.979 20 0 DBADRM Cc1ccc(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001085589374 825058724 /nfs/dbraw/zinc/05/87/24/825058724.db2.gz KJSDOBAIYUNBCG-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001085626657 825066181 /nfs/dbraw/zinc/06/61/81/825066181.db2.gz QQYAJZURBRHYKW-VHSXEESVSA-N -1 0 322.369 -0.979 20 0 DBADRM O=C(NC[C@H]1C[C@@H](NCc2ccon2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001086138321 825184913 /nfs/dbraw/zinc/18/49/13/825184913.db2.gz CHTGCGKSICLSMA-OTSSQURYSA-N -1 0 320.309 -0.431 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cc2ccon2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088498801 825430998 /nfs/dbraw/zinc/43/09/98/825430998.db2.gz TXQUPCDQVANGOM-SCZZXKLOSA-N -1 0 306.326 -0.180 20 0 DBADRM Cc1cc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)n[nH]1 ZINC001088517671 825432419 /nfs/dbraw/zinc/43/24/19/825432419.db2.gz XAQRXMXQDBUTLE-KOLCDFICSA-N -1 0 319.369 -0.136 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3cnn(C)n3)[C@@H]2C)c1[O-] ZINC001088524241 825432913 /nfs/dbraw/zinc/43/29/13/825432913.db2.gz MXHALVUEWDYZSI-KOLCDFICSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088551889 825437959 /nfs/dbraw/zinc/43/79/59/825437959.db2.gz BEENWAFXPOLSNQ-SFYZADRCSA-N -1 0 306.330 -0.968 20 0 DBADRM COC[C@H](C)CC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001115053483 828781230 /nfs/dbraw/zinc/78/12/30/828781230.db2.gz PNNSPXDCSIXVGN-DNJQJEMRSA-N -1 0 309.370 -0.271 20 0 DBADRM CCC(=O)N1CC[C@@H](n2cc(CNCc3n[nH]c(=O)[n-]3)nn2)C1 ZINC001089574273 825513708 /nfs/dbraw/zinc/51/37/08/825513708.db2.gz MQHNIAAVASTWHE-SNVBAGLBSA-N -1 0 320.357 -0.425 20 0 DBADRM CC(=O)N[C@@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O ZINC001089975077 825534933 /nfs/dbraw/zinc/53/49/33/825534933.db2.gz DKONZWNTVZWZBP-NEPJUHHUSA-N -1 0 305.338 -0.906 20 0 DBADRM CC(F)(F)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090001056 825542697 /nfs/dbraw/zinc/54/26/97/825542697.db2.gz MJWHFVMJAMAKCE-BQBZGAKWSA-N -1 0 305.285 -0.783 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cccs1 ZINC001090039789 825551992 /nfs/dbraw/zinc/55/19/92/825551992.db2.gz YQJLQMTWRIAPKK-IUCAKERBSA-N -1 0 323.378 -0.063 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccoc1 ZINC001090074713 825558836 /nfs/dbraw/zinc/55/88/36/825558836.db2.gz VVLXJTURWHZEAD-UWVGGRQHSA-N -1 0 307.310 -0.532 20 0 DBADRM Cc1ocnc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090117996 825575092 /nfs/dbraw/zinc/57/50/92/825575092.db2.gz FDMUWGLOGGLZPC-IUCAKERBSA-N -1 0 322.325 -0.828 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cscn1 ZINC001090135167 825579133 /nfs/dbraw/zinc/57/91/33/825579133.db2.gz UBTMPMOSJPKHLP-IONNQARKSA-N -1 0 324.366 -0.668 20 0 DBADRM Cn1ccc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1 ZINC001090187989 825591798 /nfs/dbraw/zinc/59/17/98/825591798.db2.gz BUJCKOKHXWPBNJ-WDEREUQCSA-N -1 0 320.353 -0.786 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3cnon3)C[C@@H]2O)c1[O-] ZINC001090202216 825595510 /nfs/dbraw/zinc/59/55/10/825595510.db2.gz WSMUSHXUVZWSQA-UWVGGRQHSA-N -1 0 322.325 -0.828 20 0 DBADRM Cc1nc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)co1 ZINC001090207437 825597447 /nfs/dbraw/zinc/59/74/47/825597447.db2.gz VVMZACJZIXKVDN-WPRPVWTQSA-N -1 0 322.325 -0.828 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccsn1 ZINC001090353095 825647488 /nfs/dbraw/zinc/64/74/88/825647488.db2.gz WTJVKVFHYNCSKI-APPZFPTMSA-N -1 0 324.366 -0.668 20 0 DBADRM Cc1coc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1 ZINC001090503397 825723360 /nfs/dbraw/zinc/72/33/60/825723360.db2.gz IVIZPFWBCJWYTJ-UWVGGRQHSA-N -1 0 321.337 -0.223 20 0 DBADRM CC(C)(C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC1 ZINC001090507511 825725657 /nfs/dbraw/zinc/72/56/57/825725657.db2.gz ODFLWJQZRZIQLJ-MNOVXSKESA-N -1 0 323.397 -0.002 20 0 DBADRM COCC[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001115262638 828819390 /nfs/dbraw/zinc/81/93/90/828819390.db2.gz FEIZUSNPZBISIO-SVDPJWKOSA-N -1 0 309.370 -0.271 20 0 DBADRM O=C(Cc1ccco1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090665378 825791682 /nfs/dbraw/zinc/79/16/82/825791682.db2.gz RSOSCARRGKUDIM-GHMZBOCLSA-N -1 0 321.337 -0.603 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1nccs1 ZINC001090670541 825793269 /nfs/dbraw/zinc/79/32/69/825793269.db2.gz FFTSTTONYPYMNR-SFYZADRCSA-N -1 0 324.366 -0.668 20 0 DBADRM Cc1cnoc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090692729 825802480 /nfs/dbraw/zinc/80/24/80/825802480.db2.gz OAFRCPLFSFHINM-BDAKNGLRSA-N -1 0 322.325 -0.828 20 0 DBADRM Cc1cnoc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090692732 825803494 /nfs/dbraw/zinc/80/34/94/825803494.db2.gz OAFRCPLFSFHINM-DTWKUNHWSA-N -1 0 322.325 -0.828 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)c1cnns1 ZINC001092487880 826042039 /nfs/dbraw/zinc/04/20/39/826042039.db2.gz TXLPEXDTABDASD-HTQZYQBOSA-N -1 0 323.382 -0.140 20 0 DBADRM Cc1cccnc1O[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2nnn[n-]2)C1 ZINC001161393382 833012308 /nfs/dbraw/zinc/01/23/08/833012308.db2.gz GBIVRLLSRPWCPF-QWRGUYRKSA-N -1 0 317.353 -0.547 20 0 DBADRM Cc1cc(C)nc(NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001093779561 826167863 /nfs/dbraw/zinc/16/78/63/826167863.db2.gz OLXQIPQZZAIVID-UHFFFAOYSA-N -1 0 307.314 -0.676 20 0 DBADRM O=C(NCc1cn(C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1)C1CC1 ZINC001094266563 826212274 /nfs/dbraw/zinc/21/22/74/826212274.db2.gz YERIBCCNULMGQA-UHFFFAOYSA-N -1 0 318.341 -0.815 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCNc1ncc(F)cn1 ZINC001094527678 826247188 /nfs/dbraw/zinc/24/71/88/826247188.db2.gz PTSQUJXFQQCGJA-UHFFFAOYSA-N -1 0 311.277 -0.763 20 0 DBADRM CN(C)Cc1cc(C(=O)NCCC[NH2+]Cc2n[nH]c(=O)[n-]2)no1 ZINC001161551422 833033731 /nfs/dbraw/zinc/03/37/31/833033731.db2.gz GNNZZLGWOUNDRZ-UHFFFAOYSA-N -1 0 323.357 -0.530 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cnns1 ZINC001095208647 826311932 /nfs/dbraw/zinc/31/19/32/826311932.db2.gz FBRLRSIXTDIKFU-CSMHCCOUSA-N -1 0 321.366 -0.103 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cnsn1 ZINC001095207567 826312237 /nfs/dbraw/zinc/31/22/37/826312237.db2.gz HZRZWONAKDTPDE-FJXKBIBVSA-N -1 0 321.366 -0.103 20 0 DBADRM CN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)c1cccc(F)n1 ZINC001095606353 826335211 /nfs/dbraw/zinc/33/52/11/826335211.db2.gz FCDMREQERHNWBX-UHFFFAOYSA-N -1 0 324.316 -0.134 20 0 DBADRM Cc1cc(N(C)CCCNC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001095781700 826345195 /nfs/dbraw/zinc/34/51/95/826345195.db2.gz MZPWMOPDBADKCK-UHFFFAOYSA-N -1 0 319.325 -0.362 20 0 DBADRM O=C(Cc1c[nH]cn1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001096073096 826356235 /nfs/dbraw/zinc/35/62/35/826356235.db2.gz WLUSBKGZIPYMRQ-VWYCJHECSA-N -1 0 317.353 -0.302 20 0 DBADRM Cn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)n1 ZINC001096543002 826387499 /nfs/dbraw/zinc/38/74/99/826387499.db2.gz DNNNMCVADGZXQZ-MIMYLULJSA-N -1 0 317.353 -0.221 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001096662133 826393079 /nfs/dbraw/zinc/39/30/79/826393079.db2.gz RHVZLGYUJROHCJ-VGMNWLOBSA-N -1 0 319.325 -0.263 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](Nc1ncccn1)C1CC1 ZINC001096703607 826393684 /nfs/dbraw/zinc/39/36/84/826393684.db2.gz OIFZWXLZKCHFAW-SECBINFHSA-N -1 0 319.325 -0.514 20 0 DBADRM Cn1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)c1 ZINC001096954819 826403178 /nfs/dbraw/zinc/40/31/78/826403178.db2.gz FUAFMICYTBNMRY-KKZNHRDASA-N -1 0 317.353 -0.221 20 0 DBADRM COc1ccnc(N[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001097976488 826443128 /nfs/dbraw/zinc/44/31/28/826443128.db2.gz JLGGVVGBDATTAI-SSDOTTSWSA-N -1 0 323.313 -0.895 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1ncc(F)cn1 ZINC001097976641 826443250 /nfs/dbraw/zinc/44/32/50/826443250.db2.gz NHCGGSXZCURFEU-ZCFIWIBFSA-N -1 0 311.277 -0.765 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1cccc(F)n1 ZINC001097976477 826443292 /nfs/dbraw/zinc/44/32/92/826443292.db2.gz JDHNXHUYCOYWPJ-ZETCQYMHSA-N -1 0 310.289 -0.160 20 0 DBADRM Cc1nccc(N[C@@H](C)CNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001098178253 826452945 /nfs/dbraw/zinc/45/29/45/826452945.db2.gz GUPDQZNAKVQTKH-QMMMGPOBSA-N -1 0 318.337 -0.185 20 0 DBADRM Cc1cc(N[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001098434982 826482512 /nfs/dbraw/zinc/48/25/12/826482512.db2.gz CISFKKZBZCIOLY-ZETCQYMHSA-N -1 0 305.298 -0.388 20 0 DBADRM Cc1cc(C)nc(N[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001098435374 826482921 /nfs/dbraw/zinc/48/29/21/826482921.db2.gz MXICPKHGCCHQRV-MRVPVSSYSA-N -1 0 319.325 -0.080 20 0 DBADRM CCc1nnc(CNCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001161863776 833059412 /nfs/dbraw/zinc/05/94/12/833059412.db2.gz RMXFLMLEAFUBDB-UHFFFAOYSA-N -1 0 323.313 -0.862 20 0 DBADRM Cc1noc([C@H](C)NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001161868610 833061539 /nfs/dbraw/zinc/06/15/39/833061539.db2.gz GLPMCLNSDZQGDC-LURJTMIESA-N -1 0 323.313 -0.555 20 0 DBADRM O=C(NCCCNCc1csnn1)c1n[nH]c(=O)[n-]c1=O ZINC001161879958 833061993 /nfs/dbraw/zinc/06/19/93/833061993.db2.gz PMRYSZDGROTWGA-UHFFFAOYSA-N -1 0 311.327 -0.956 20 0 DBADRM CCc1nc(CNCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001161872980 833062608 /nfs/dbraw/zinc/06/26/08/833062608.db2.gz RHFOZMCBUUJKCJ-UHFFFAOYSA-N -1 0 323.313 -0.862 20 0 DBADRM CNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001098795293 826530565 /nfs/dbraw/zinc/53/05/65/826530565.db2.gz VJPOLWMPSJQSEO-BONVTDFDSA-N -1 0 321.381 -0.246 20 0 DBADRM COCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099191390 826557169 /nfs/dbraw/zinc/55/71/69/826557169.db2.gz ABJPHDXSOXPDFC-RNFRBKRXSA-N -1 0 323.275 -0.364 20 0 DBADRM CC1(C)CC[C@H](CNC(=O)C(N)=O)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001099209194 826558349 /nfs/dbraw/zinc/55/83/49/826558349.db2.gz WUDVUPDHDLIHPI-MRVPVSSYSA-N -1 0 310.358 -0.898 20 0 DBADRM CSCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099656690 826606749 /nfs/dbraw/zinc/60/67/49/826606749.db2.gz ITRCXZTZDHLMEH-DTWKUNHWSA-N -1 0 315.399 -0.685 20 0 DBADRM CSCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099656689 826607351 /nfs/dbraw/zinc/60/73/51/826607351.db2.gz ITRCXZTZDHLMEH-BDAKNGLRSA-N -1 0 315.399 -0.685 20 0 DBADRM CC(C)CCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099662599 826608066 /nfs/dbraw/zinc/60/80/66/826608066.db2.gz ATSDXGNGDYKPSA-QWRGUYRKSA-N -1 0 311.386 -0.002 20 0 DBADRM C/C(=C\C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC1 ZINC001099715194 826632081 /nfs/dbraw/zinc/63/20/81/826632081.db2.gz DSKOUALGJKXLSL-FIRGKKCLSA-N -1 0 321.381 -0.082 20 0 DBADRM CCn1cc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)nn1 ZINC001274471199 833082675 /nfs/dbraw/zinc/08/26/75/833082675.db2.gz FMWDORQHWKOBLC-ONEGZZNKSA-N -1 0 306.330 -0.803 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ncccn1 ZINC001099787777 826666298 /nfs/dbraw/zinc/66/62/98/826666298.db2.gz ACUVAMPYZYNBLC-ZETCQYMHSA-N -1 0 305.298 -0.307 20 0 DBADRM Cn1cncc1CC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001274500004 833087621 /nfs/dbraw/zinc/08/76/21/833087621.db2.gz ZNJYEULHKRLFPO-IHWYPQMZSA-N -1 0 305.342 -0.752 20 0 DBADRM CC1(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CC1 ZINC001099927331 826732068 /nfs/dbraw/zinc/73/20/68/826732068.db2.gz AGJKGAADPNWCMY-UWVGGRQHSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(CCCF)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099954495 826745338 /nfs/dbraw/zinc/74/53/38/826745338.db2.gz MZSGBCPFOGJSFJ-BDAKNGLRSA-N -1 0 301.322 -0.689 20 0 DBADRM CCC1(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CC1 ZINC001099994198 826764136 /nfs/dbraw/zinc/76/41/36/826764136.db2.gz MKEDQFLCCAYXQL-ZJUUUORDSA-N -1 0 309.370 -0.248 20 0 DBADRM CC(F)(F)CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099994323 826764979 /nfs/dbraw/zinc/76/49/79/826764979.db2.gz PFQLNEMFCXKOJW-HTQZYQBOSA-N -1 0 319.312 -0.393 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C(C)(C)C(N)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001274634739 833113022 /nfs/dbraw/zinc/11/30/22/833113022.db2.gz QVRFSCAPGKJHQJ-IUCAKERBSA-N -1 0 324.385 -0.509 20 0 DBADRM Cc1cc(N(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)nc(C)n1 ZINC001100416092 826961068 /nfs/dbraw/zinc/96/10/68/826961068.db2.gz QVNQISSYAVBIMP-UHFFFAOYSA-N -1 0 319.325 -0.444 20 0 DBADRM Cc1cc(C)nc(N(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001100415864 826961353 /nfs/dbraw/zinc/96/13/53/826961353.db2.gz JAKSBTGHNFZHDY-UHFFFAOYSA-N -1 0 319.325 -0.444 20 0 DBADRM CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(=O)n(C)[n-]1 ZINC001274805213 833128489 /nfs/dbraw/zinc/12/84/89/833128489.db2.gz OEYSHNPLITVKIE-AOOOYVTPSA-N -1 0 307.354 -0.887 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccnc(C)n1 ZINC001100577940 826986236 /nfs/dbraw/zinc/98/62/36/826986236.db2.gz ZHGFGOGMPCRKIQ-UHFFFAOYSA-N -1 0 321.341 -0.570 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ncccn1 ZINC001100577556 826986281 /nfs/dbraw/zinc/98/62/81/826986281.db2.gz FMQGNXWTABUPHI-UHFFFAOYSA-N -1 0 307.314 -0.878 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1cnc(F)cn1 ZINC001100765506 827018018 /nfs/dbraw/zinc/01/80/18/827018018.db2.gz MJIVLMXTPCXXGC-UHFFFAOYSA-N -1 0 323.288 -0.532 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCCN1c1ncccn1 ZINC001100855550 827036792 /nfs/dbraw/zinc/03/67/92/827036792.db2.gz GVMWOIAVVQFBIJ-SECBINFHSA-N -1 0 319.325 -0.736 20 0 DBADRM COCCC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101102390 827074775 /nfs/dbraw/zinc/07/47/75/827074775.db2.gz DGTSWQXTXFKGKN-YGRLFVJLSA-N -1 0 309.370 -0.173 20 0 DBADRM Cc1cnc(C)nc1NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001101719251 827140399 /nfs/dbraw/zinc/14/03/99/827140399.db2.gz LQIZVRMOPPKIEG-UHFFFAOYSA-N -1 0 321.341 -0.333 20 0 DBADRM CN(CCNc1nccnc1F)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001101719188 827140513 /nfs/dbraw/zinc/14/05/13/827140513.db2.gz IHYJEYWDBRFZQM-UHFFFAOYSA-N -1 0 311.277 -0.811 20 0 DBADRM C[C@@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)c1ccncc1[O-] ZINC001275218252 833160495 /nfs/dbraw/zinc/16/04/95/833160495.db2.gz VRJXRANGCIJDOP-MRVPVSSYSA-N -1 0 316.321 -0.435 20 0 DBADRM C[C@@]1(c2cccnc2N[C@@H]2SC(=O)[N-]C2=O)NC(=O)NC1=O ZINC001163664742 833162375 /nfs/dbraw/zinc/16/23/75/833162375.db2.gz JLMCBCYXXPPMPF-PELKAZGASA-N -1 0 321.318 -0.143 20 0 DBADRM C[C@]1(c2cccnc2N[C@H]2SC(=O)[N-]C2=O)NC(=O)NC1=O ZINC001163664744 833162389 /nfs/dbraw/zinc/16/23/89/833162389.db2.gz JLMCBCYXXPPMPF-QPUJVOFHSA-N -1 0 321.318 -0.143 20 0 DBADRM COC(=O)[C@@H](CO)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001163803059 833169343 /nfs/dbraw/zinc/16/93/43/833169343.db2.gz USIJSKYLUFKOHZ-MRVPVSSYSA-N -1 0 300.292 -0.936 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1cc(F)ncn1 ZINC001103374423 827282069 /nfs/dbraw/zinc/28/20/69/827282069.db2.gz UAKNVBWGRSSEPX-ZCFIWIBFSA-N -1 0 323.288 -0.168 20 0 DBADRM Cc1nccc(NC[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001104038894 827319295 /nfs/dbraw/zinc/31/92/95/827319295.db2.gz DHPMUIGCXZMDHN-MRVPVSSYSA-N -1 0 321.341 -0.348 20 0 DBADRM CN1C(=O)C[C@@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001275463959 833181696 /nfs/dbraw/zinc/18/16/96/833181696.db2.gz CMOJJBWJAPLMMJ-GFCCVEGCSA-N -1 0 312.351 -0.431 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNc1nccnc1F ZINC001104272651 827334979 /nfs/dbraw/zinc/33/49/79/827334979.db2.gz HVPHZIBJWRGVKP-LURJTMIESA-N -1 0 323.288 -0.310 20 0 DBADRM Cc1nccc(NC[C@@H](C)N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001104644204 827364150 /nfs/dbraw/zinc/36/41/50/827364150.db2.gz MAICKFBMZNHCEL-MRVPVSSYSA-N -1 0 321.341 -0.253 20 0 DBADRM C[C@@H](CNc1ncccn1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001104644409 827364405 /nfs/dbraw/zinc/36/44/05/827364405.db2.gz PLOCNACDMNVUEG-QMMMGPOBSA-N -1 0 307.314 -0.562 20 0 DBADRM Cn1[n-]c(C(=O)NC23CC(C(=O)Nc4nnco4)(C2)C3)cc1=O ZINC001275610398 833193907 /nfs/dbraw/zinc/19/39/07/833193907.db2.gz SBBBINLIUIDLRZ-UHFFFAOYSA-N -1 0 318.293 -0.200 20 0 DBADRM CN(C)C(=O)[C@@H]1CCC2(CN(C(=O)c3cc(=O)n(C)[n-]3)C2)O1 ZINC001275610089 833193909 /nfs/dbraw/zinc/19/39/09/833193909.db2.gz NCQYVTQAFUGRBK-JTQLQIEISA-N -1 0 308.338 -0.413 20 0 DBADRM O=C1[N-]S(=O)(=O)c2cc(N[C@@H]3C=CS(=O)(=O)C3)ccc21 ZINC001164023526 833189688 /nfs/dbraw/zinc/18/96/88/833189688.db2.gz YYALIICTASUCFT-MRVPVSSYSA-N -1 0 314.344 -0.159 20 0 DBADRM CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)c3cc(=O)n(C)[n-]3)C[C@H]12 ZINC001275610473 833194444 /nfs/dbraw/zinc/19/44/44/833194444.db2.gz UMBAZMFAUHLZOQ-IONNQARKSA-N -1 0 307.310 -0.959 20 0 DBADRM CS(=O)(=O)c1ccc(NCC[N-]C(=O)C(F)(F)F)nn1 ZINC001164237682 833198259 /nfs/dbraw/zinc/19/82/59/833198259.db2.gz GFGSXAHXASHIQF-UHFFFAOYSA-N -1 0 312.273 -0.030 20 0 DBADRM Cc1nccc(N(C)CCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001105612836 827460217 /nfs/dbraw/zinc/46/02/17/827460217.db2.gz RPPXGXILDHRLOR-UHFFFAOYSA-N -1 0 319.325 -0.410 20 0 DBADRM CN(CCN(C)c1ncccn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001105614703 827460396 /nfs/dbraw/zinc/46/03/96/827460396.db2.gz YAPYWLQRYQDAFN-UHFFFAOYSA-N -1 0 305.298 -0.719 20 0 DBADRM Cc1cc(N(C)CCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001105614399 827460491 /nfs/dbraw/zinc/46/04/91/827460491.db2.gz VNYHQEYFLHETPZ-UHFFFAOYSA-N -1 0 319.325 -0.410 20 0 DBADRM COC(=O)[C@@H]1C[C@H](Nc2cccc(S(=O)(=O)[O-])n2)CN1 ZINC001164302201 833204468 /nfs/dbraw/zinc/20/44/68/833204468.db2.gz PFHKQOXHCWSPDA-YUMQZZPRSA-N -1 0 301.324 -0.356 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNc2cc(C)ncn2)c1[O-] ZINC001105819668 827521654 /nfs/dbraw/zinc/52/16/54/827521654.db2.gz IECOQPVZRCOEHC-SECBINFHSA-N -1 0 306.326 -0.275 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNc2cc(F)ncn2)c1[O-] ZINC001105819933 827522708 /nfs/dbraw/zinc/52/27/08/827522708.db2.gz OBOYVVZOFCLWGQ-ZETCQYMHSA-N -1 0 310.289 -0.444 20 0 DBADRM CN(C)C(=O)[C@@H]1CC12CCN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)CC2 ZINC001275820712 833212115 /nfs/dbraw/zinc/21/21/15/833212115.db2.gz SDNACMICSAWVIQ-VIFPVBQESA-N -1 0 320.349 -0.606 20 0 DBADRM O=C(c1c[nH]c(=O)c(=O)[n-]1)N1CC[C@H]2C[C@]21C(=O)N1CC=CC1 ZINC001275820472 833212225 /nfs/dbraw/zinc/21/22/25/833212225.db2.gz JNHYSVXKXQBZRB-BJOHPYRUSA-N -1 0 316.317 -0.934 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1coc(CS(C)(=O)=O)n1 ZINC001164584352 833222464 /nfs/dbraw/zinc/22/24/64/833222464.db2.gz AHXFXJNAQIRDTA-UHFFFAOYSA-N -1 0 305.312 -0.983 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCOC[C@@H](O)C2)nc1 ZINC001164519486 833215840 /nfs/dbraw/zinc/21/58/40/833215840.db2.gz ZPCJMTDXBPFNRP-JTQLQIEISA-N -1 0 315.351 -0.896 20 0 DBADRM CCN(CCNc1cc(C)ncn1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001106810877 827679715 /nfs/dbraw/zinc/67/97/15/827679715.db2.gz WDZMNPJNQDCJRD-UHFFFAOYSA-N -1 0 321.341 -0.252 20 0 DBADRM CN(C)C(=O)c1cnc2n1CCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276022437 833235473 /nfs/dbraw/zinc/23/54/73/833235473.db2.gz GENUZJYGVUMNAZ-UHFFFAOYSA-N -1 0 304.310 -0.330 20 0 DBADRM O=C(NCc1c[nH]cn1)[C@@]12C[C@@H]1CCN2C(=O)c1cc(=O)[nH][n-]1 ZINC001276023138 833235940 /nfs/dbraw/zinc/23/59/40/833235940.db2.gz QBIGEKGNJIAJJV-RMLUDKJBSA-N -1 0 316.321 -0.241 20 0 DBADRM C[C@]1(C(=O)NC2(CCO)CN(Cc3n[nH]c(=O)[n-]3)C2)C=CCC1 ZINC001276075513 833241864 /nfs/dbraw/zinc/24/18/64/833241864.db2.gz KIAJJHNWSRJXLR-AWEZNQCLSA-N -1 0 321.381 -0.080 20 0 DBADRM C[C@@]1(CNC(=O)c2ccc[nH]2)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107735316 827782776 /nfs/dbraw/zinc/78/27/76/827782776.db2.gz WJIBMPUDGJIRLZ-CQSZACIVSA-N -1 0 320.353 -0.141 20 0 DBADRM C[C@H](CNc1ncc(F)cn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001107869355 827817726 /nfs/dbraw/zinc/81/77/26/827817726.db2.gz WFCLGTBMGSXAKW-ZCFIWIBFSA-N -1 0 311.277 -0.765 20 0 DBADRM Cc1ccc(NC[C@@H](C)NC(=O)c2cnc([O-])n(C)c2=O)nn1 ZINC001108052663 827882303 /nfs/dbraw/zinc/88/23/03/827882303.db2.gz INSJAYZYHHUJRG-SECBINFHSA-N -1 0 318.337 -0.185 20 0 DBADRM C[C@H](CNc1ncccn1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001108052734 827882616 /nfs/dbraw/zinc/88/26/16/827882616.db2.gz LJSHPTBVUOWBDS-MRVPVSSYSA-N -1 0 304.310 -0.494 20 0 DBADRM C[C@]1(CNC(=O)c2cnco2)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001108105280 827895827 /nfs/dbraw/zinc/89/58/27/827895827.db2.gz ZARBIVWNXGIORW-ZDUSSCGKSA-N -1 0 322.325 -0.481 20 0 DBADRM COCCN1C[C@@H]2CN(c3nccnc3CC(=O)[O-])C[C@@H]2C1=O ZINC001166137973 833265460 /nfs/dbraw/zinc/26/54/60/833265460.db2.gz ZVSFUSWFECBNIW-MNOVXSKESA-N -1 0 320.349 -0.355 20 0 DBADRM Cc1cc(NC[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)nc(C)n1 ZINC001108208706 827920397 /nfs/dbraw/zinc/92/03/97/827920397.db2.gz OZVGXCDOUNPRDS-SSDOTTSWSA-N -1 0 319.325 -0.080 20 0 DBADRM COc1ccnc(NC[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001108208876 827920561 /nfs/dbraw/zinc/92/05/61/827920561.db2.gz SIRMRURDUKVWFK-ZCFIWIBFSA-N -1 0 321.297 -0.688 20 0 DBADRM CCN1CCO[C@](C)(CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001108266715 827929787 /nfs/dbraw/zinc/92/97/87/827929787.db2.gz QFFBGKUTUWWODM-OAHLLOKOSA-N -1 0 319.365 -0.137 20 0 DBADRM CCN1CCO[C@@](C)(CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001108266714 827929865 /nfs/dbraw/zinc/92/98/65/827929865.db2.gz QFFBGKUTUWWODM-HNNXBMFYSA-N -1 0 319.365 -0.137 20 0 DBADRM Cc1cnc(C)nc1NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001108466160 827979901 /nfs/dbraw/zinc/97/99/01/827979901.db2.gz PBQHPWLHDJHCKA-QMMMGPOBSA-N -1 0 321.341 -0.287 20 0 DBADRM C[C@@H](CNc1cc(F)ncn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001108466023 827980463 /nfs/dbraw/zinc/98/04/63/827980463.db2.gz JESAGQMKDJNHET-LURJTMIESA-N -1 0 311.277 -0.765 20 0 DBADRM C[C@@H](CNc1nccnc1F)NC(=O)c1cnc([O-])n(C)c1=O ZINC001108634821 828033194 /nfs/dbraw/zinc/03/31/94/828033194.db2.gz XFRJZPFWHPITML-ZETCQYMHSA-N -1 0 322.300 -0.355 20 0 DBADRM CCON(CC)C(=O)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001166904635 833284627 /nfs/dbraw/zinc/28/46/27/833284627.db2.gz PRVSYRBSDQWPBC-UHFFFAOYSA-N -1 0 315.330 -0.614 20 0 DBADRM C[C@H](CN(C)c1nccnc1F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001109309813 828109447 /nfs/dbraw/zinc/10/94/47/828109447.db2.gz QSWYKYNNQKCVGR-ZCFIWIBFSA-N -1 0 323.288 -0.533 20 0 DBADRM O=C(N[C@@H](CNc1ncccn1)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001110017231 828147780 /nfs/dbraw/zinc/14/77/80/828147780.db2.gz RUHDFXOEBPVYHN-QMMMGPOBSA-N -1 0 317.309 -0.307 20 0 DBADRM COC(=O)[C@H]1CCCN(c2ccc(N[C@@H]3CO[N-]C3=O)nn2)C1 ZINC001167510824 833302155 /nfs/dbraw/zinc/30/21/55/833302155.db2.gz BBHMQKZENVOGGZ-VHSXEESVSA-N -1 0 321.337 -0.292 20 0 DBADRM O=C1[N-]S(=O)(=O)c2cc(N[C@@H]3CCC(=O)NC3=O)ccc21 ZINC001167573086 833304727 /nfs/dbraw/zinc/30/47/27/833304727.db2.gz KBWRQYSXJVEOFA-MRVPVSSYSA-N -1 0 309.303 -0.664 20 0 DBADRM CC(=O)Nc1ccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc1 ZINC001167857352 833311491 /nfs/dbraw/zinc/31/14/91/833311491.db2.gz AYEIPILOLBCBAC-WKEGUHRASA-N -1 0 314.323 -0.146 20 0 DBADRM Cc1nc(Cl)nc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001167858396 833311600 /nfs/dbraw/zinc/31/16/00/833311600.db2.gz OMUPJFPQEKZWCH-UCORVYFPSA-N -1 0 307.719 -0.353 20 0 DBADRM C[C@H]1[C@H](Nc2ncnc(Cl)c2N)C(=O)N1S(=O)(=O)[O-] ZINC001167855893 833311695 /nfs/dbraw/zinc/31/16/95/833311695.db2.gz SGZDHDSYMPHJOS-UCORVYFPSA-N -1 0 307.719 -0.474 20 0 DBADRM Cc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c2ncnn2c1 ZINC001167858392 833311729 /nfs/dbraw/zinc/31/17/29/833311729.db2.gz HXPMVBIUWJJJKK-CBAPKCEASA-N -1 0 311.323 -0.148 20 0 DBADRM C[C@H]1[C@H](Nc2cc(C(N)=S)ccn2)C(=O)N1S(=O)(=O)[O-] ZINC001167858681 833311907 /nfs/dbraw/zinc/31/19/07/833311907.db2.gz QMNVLKXPOWTTRN-XNCJUZBTSA-N -1 0 316.364 -0.470 20 0 DBADRM COc1cc(Cl)nc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001167859473 833311913 /nfs/dbraw/zinc/31/19/13/833311913.db2.gz YSHLXBHFQWRCPU-FFWSUHOLSA-N -1 0 322.730 -0.047 20 0 DBADRM C[C@H]1[C@H](Nc2nc(N)cc(Cl)n2)C(=O)N1S(=O)(=O)[O-] ZINC001167858998 833311947 /nfs/dbraw/zinc/31/19/47/833311947.db2.gz TUQRQAYCVRGVGV-DZSWIPIPSA-N -1 0 307.719 -0.474 20 0 DBADRM C[C@H]1[C@H](Nc2nccc3ncn(C)c32)C(=O)N1S(=O)(=O)[O-] ZINC001167859690 833311954 /nfs/dbraw/zinc/31/19/54/833311954.db2.gz ZYLGGQSNRQXCPV-XPUUQOCRSA-N -1 0 311.323 -0.218 20 0 DBADRM C[C@H]1[C@H](Nc2ccc3ncnn3c2F)C(=O)N1S(=O)(=O)[O-] ZINC001167863266 833312446 /nfs/dbraw/zinc/31/24/46/833312446.db2.gz AWCAHEFNWPXRMJ-XNCJUZBTSA-N -1 0 315.286 -0.318 20 0 DBADRM O=C([O-])c1cc(Cl)cnc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001168047913 833316797 /nfs/dbraw/zinc/31/67/97/833316797.db2.gz VTJFZYKGLGZQGG-KBHCAIDQSA-N -1 0 302.714 -0.052 20 0 DBADRM N=C(Nc1nc(N)nc2nc[nH]c21)SCCS(=O)(=O)[O-] ZINC001168091502 833317753 /nfs/dbraw/zinc/31/77/53/833317753.db2.gz VIPYUAFAIKCAKR-UHFFFAOYSA-N -1 0 317.356 -0.097 20 0 DBADRM CN(C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)c1nnn[n-]1 ZINC001168358977 833323215 /nfs/dbraw/zinc/32/32/15/833323215.db2.gz LUDFCPNONHUMKV-ZDUSSCGKSA-N -1 0 315.293 -0.469 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)Nc1ncccn1 ZINC001115801415 828865419 /nfs/dbraw/zinc/86/54/19/828865419.db2.gz FFPFFWPOCLROLD-MRVPVSSYSA-N -1 0 307.314 -0.562 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)C1CCOCC1 ZINC001116006666 828871050 /nfs/dbraw/zinc/87/10/50/828871050.db2.gz YGDMYCULMKGNEM-UHFFFAOYSA-N -1 0 308.356 -0.252 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2ccon2)CCC1 ZINC001116183654 828880483 /nfs/dbraw/zinc/88/04/83/828880483.db2.gz DRMASKCHJYOCTJ-UHFFFAOYSA-N -1 0 301.324 -0.463 20 0 DBADRM COC(=O)Cc1ccccc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC001116219015 828882028 /nfs/dbraw/zinc/88/20/28/828882028.db2.gz WLHDPDLHGZEDHM-UHFFFAOYSA-N -1 0 318.293 -0.830 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)NCc1nc(=O)o[n-]1)c2=O ZINC001116370303 828891058 /nfs/dbraw/zinc/89/10/58/828891058.db2.gz WBRJNIDVUFCYCC-UHFFFAOYSA-N -1 0 301.262 -0.391 20 0 DBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1nc(=O)o[n-]1 ZINC001116421426 828894063 /nfs/dbraw/zinc/89/40/63/828894063.db2.gz WTRQBJOLEAKPMW-UHFFFAOYSA-N -1 0 323.309 -0.766 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001116447044 828895384 /nfs/dbraw/zinc/89/53/84/828895384.db2.gz SIULRGRVYCJOPJ-UHNVWZDZSA-N -1 0 308.216 -0.564 20 0 DBADRM O=C([N-]N1CC(=O)NC1=O)c1cc(OCC(F)F)ccn1 ZINC001116503629 828898566 /nfs/dbraw/zinc/89/85/66/828898566.db2.gz HGZJFWHTOSFSQK-UHFFFAOYSA-N -1 0 300.221 -0.078 20 0 DBADRM Cc1oc2nc[nH]c(=O)c2c1C(=O)[N-]N1CC(=O)N(C)C1=O ZINC001116502589 828899358 /nfs/dbraw/zinc/89/93/58/828899358.db2.gz YHTNYTOGLQQLIZ-UHFFFAOYSA-N -1 0 305.250 -0.224 20 0 DBADRM Cn1ccnc1-c1cccc(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC001116735185 828910904 /nfs/dbraw/zinc/91/09/04/828910904.db2.gz OPGNVXCHHPRMLE-UHFFFAOYSA-N -1 0 317.305 -0.441 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC001116738859 828911348 /nfs/dbraw/zinc/91/13/48/828911348.db2.gz CRKWFEATRSTUPA-UHFFFAOYSA-N -1 0 315.215 -0.132 20 0 DBADRM CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC001116741142 828911592 /nfs/dbraw/zinc/91/15/92/828911592.db2.gz OQHOIQOOQWCQIU-UHFFFAOYSA-N -1 0 302.356 -0.089 20 0 DBADRM CC1CCN(C(=O)C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)CC1 ZINC001116953970 828923306 /nfs/dbraw/zinc/92/33/06/828923306.db2.gz PTUJQUDJWCBKSZ-UHFFFAOYSA-N -1 0 315.355 -0.595 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NC[C@H](C)CN1CCOCC1 ZINC001117145778 828947695 /nfs/dbraw/zinc/94/76/95/828947695.db2.gz IZTBHZNCXGBDMV-LBPRGKRZSA-N -1 0 301.387 -0.225 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCC1CCN(C(C)=O)CC1 ZINC001117266782 828953814 /nfs/dbraw/zinc/95/38/14/828953814.db2.gz OJXOGWVUIBQKDR-UHFFFAOYSA-N -1 0 317.411 -0.228 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC001117309926 828959146 /nfs/dbraw/zinc/95/91/46/828959146.db2.gz YXMARCONODLZMV-NWDGAFQWSA-N -1 0 301.387 -0.084 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001117378927 828970053 /nfs/dbraw/zinc/97/00/53/828970053.db2.gz GHLZGTCUHCYMRE-VIFPVBQESA-N -1 0 322.383 -0.847 20 0 DBADRM O=C(c1ccc(NCc2cc(=O)[n-]o2)nc1)N1CCNC(=O)C1 ZINC001169481088 833341075 /nfs/dbraw/zinc/34/10/75/833341075.db2.gz CXAUEUVDLRIWOX-UHFFFAOYSA-N -1 0 317.305 -0.041 20 0 DBADRM COC1(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)CCOCC1 ZINC001117437869 828979092 /nfs/dbraw/zinc/97/90/92/828979092.db2.gz ANFOGAUJVYIINW-NSHDSACASA-N -1 0 316.354 -0.618 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC001117487848 828985249 /nfs/dbraw/zinc/98/52/49/828985249.db2.gz KUGZBYFQLHTGGX-FZMZJTMJSA-N -1 0 316.354 -0.475 20 0 DBADRM NC(=O)CCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC001117641356 829003051 /nfs/dbraw/zinc/00/30/51/829003051.db2.gz UIYTWMHPJSPCRP-JTQLQIEISA-N -1 0 306.384 -0.095 20 0 DBADRM C[C@@H](C(=O)[N-]OCC(C)(C)O)S(=O)(=O)C1CCOCC1 ZINC001117759133 829013971 /nfs/dbraw/zinc/01/39/71/829013971.db2.gz KHQNLPUNIWBTGA-VIFPVBQESA-N -1 0 309.384 -0.213 20 0 DBADRM O=C(Cc1cn2ccccc2n1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001170374971 833351986 /nfs/dbraw/zinc/35/19/86/833351986.db2.gz BPYIONHBVQHYPV-NSHDSACASA-N -1 0 313.321 -0.010 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1c(Br)nnn1C ZINC001118271184 829060647 /nfs/dbraw/zinc/06/06/47/829060647.db2.gz KBYOMHQUPOVKQT-UHFFFAOYSA-N -1 0 306.120 -0.625 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](C)CC(F)(F)F ZINC001118296618 829064229 /nfs/dbraw/zinc/06/42/29/829064229.db2.gz FVIMQRINMOZTIP-ZETCQYMHSA-N -1 0 313.276 -0.125 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC001118301230 829065234 /nfs/dbraw/zinc/06/52/34/829065234.db2.gz NIWHRAIICYCBTH-SNVBAGLBSA-N -1 0 323.353 -0.700 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])s1 ZINC001118326249 829069302 /nfs/dbraw/zinc/06/93/02/829069302.db2.gz QSOMWLRNMXANMD-PHDIDXHHSA-N -1 0 300.340 -0.139 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1Cc2ccccc21 ZINC001118348219 829073439 /nfs/dbraw/zinc/07/34/39/829073439.db2.gz LDPNDQFGMRFOEP-LLVKDONJSA-N -1 0 305.334 -0.374 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001118353334 829074124 /nfs/dbraw/zinc/07/41/24/829074124.db2.gz DKQZOLGWKYAHGQ-FBIMIBRVSA-N -1 0 313.354 -0.900 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001118353335 829074239 /nfs/dbraw/zinc/07/42/39/829074239.db2.gz DKQZOLGWKYAHGQ-GDPRMGEGSA-N -1 0 313.354 -0.900 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC001118352266 829074450 /nfs/dbraw/zinc/07/44/50/829074450.db2.gz DADMIBCKQLLWLB-VIFPVBQESA-N -1 0 309.326 -0.913 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)Cc1ccncc1 ZINC001118355155 829075309 /nfs/dbraw/zinc/07/53/09/829075309.db2.gz WHXLRVLGSLYMST-JTQLQIEISA-N -1 0 308.338 -0.687 20 0 DBADRM CC(=O)N1CCC(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC001118389351 829078353 /nfs/dbraw/zinc/07/83/53/829078353.db2.gz LDHHCTNCDHRLQZ-SECBINFHSA-N -1 0 313.354 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cccc(C)c1OC ZINC001118409450 829081383 /nfs/dbraw/zinc/08/13/83/829081383.db2.gz YBJIENOFMKXMST-UHFFFAOYSA-N -1 0 323.349 -0.196 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001118541707 829102389 /nfs/dbraw/zinc/10/23/89/829102389.db2.gz JQCIWCKPIABHPO-RTHLEPHNSA-N -1 0 323.305 -0.626 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CC[C@H](CO)C2)n1 ZINC001118542545 829102505 /nfs/dbraw/zinc/10/25/05/829102505.db2.gz PQLWQRFJIQQMAW-VIFPVBQESA-N -1 0 324.337 -0.518 20 0 DBADRM C[C@@H](NC(=O)C(=O)NCC1(C(=O)[O-])CCC1)c1ncnn1C ZINC001118548115 829102907 /nfs/dbraw/zinc/10/29/07/829102907.db2.gz HEMUYQVUKMOZHJ-MRVPVSSYSA-N -1 0 309.326 -0.637 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC001118574547 829106849 /nfs/dbraw/zinc/10/68/49/829106849.db2.gz IYMSYCLJLNUSLH-BXUZGUMPSA-N -1 0 302.371 -0.051 20 0 DBADRM Cc1cnc2nc(C(=O)N(C)C[C@H](C)c3nnn[n-]3)nn2c1 ZINC001118694424 829122432 /nfs/dbraw/zinc/12/24/32/829122432.db2.gz SRQNUNMVGPICIT-QMMMGPOBSA-N -1 0 301.314 -0.178 20 0 DBADRM CN(C)CCONC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC001118704721 829123276 /nfs/dbraw/zinc/12/32/76/829123276.db2.gz DUARZVGJKIHUET-UHFFFAOYSA-N -1 0 314.367 -0.907 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC001118752518 829129535 /nfs/dbraw/zinc/12/95/35/829129535.db2.gz MWKYOQIWCNNBKB-BQBZGAKWSA-N -1 0 300.233 -0.497 20 0 DBADRM O=C(NC[C@@H](O)Cn1ccnn1)c1ccc2oc(=O)nc-2[n-]1 ZINC001118770574 829132805 /nfs/dbraw/zinc/13/28/05/829132805.db2.gz OTPDFDCTBOFROP-SSDOTTSWSA-N -1 0 304.266 -0.689 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1ncn(C)n1 ZINC001118862187 829141270 /nfs/dbraw/zinc/14/12/70/829141270.db2.gz VEUVRZHUROXTIQ-KXUCPTDWSA-N -1 0 323.353 -0.439 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2cccnn2)CC[C@@H]1C(=O)[O-] ZINC001118921131 829154160 /nfs/dbraw/zinc/15/41/60/829154160.db2.gz KVEPQSUATYUZRI-ONGXEEELSA-N -1 0 306.322 -0.338 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCn3ncnc3C2)CC[C@@H]1C(=O)[O-] ZINC001118958493 829198224 /nfs/dbraw/zinc/19/82/24/829198224.db2.gz CLCSMBPGHORNDH-UWVGGRQHSA-N -1 0 321.337 -0.811 20 0 DBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(F)cc1 ZINC001173798453 833379957 /nfs/dbraw/zinc/37/99/57/833379957.db2.gz XXMOELKSCIPCJY-UHFFFAOYSA-N -1 0 315.286 -0.163 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001119193765 829233733 /nfs/dbraw/zinc/23/37/33/829233733.db2.gz IDPSOAJHKUPMEZ-HHHUOAJASA-N -1 0 300.355 -0.001 20 0 DBADRM C[C@@H]1[C@H](NC(=O)C(=O)NCCCCC(=O)[O-])CCS1(=O)=O ZINC001119294975 829247354 /nfs/dbraw/zinc/24/73/54/829247354.db2.gz PRFIDXOMRFFGQR-RKDXNWHRSA-N -1 0 320.367 -0.951 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC001119341271 829249920 /nfs/dbraw/zinc/24/99/20/829249920.db2.gz NKHKUWXAORGKAP-DCAQKATOSA-N -1 0 310.350 -0.007 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)[N-]N3C(=O)[C@H](C)N(C)C3=O)nc2C1 ZINC001119589320 829279599 /nfs/dbraw/zinc/27/95/99/829279599.db2.gz ULFGUKJOFSVLRJ-IUCAKERBSA-N -1 0 321.337 -0.228 20 0 DBADRM COCCOCCN1CCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC001119637636 829285389 /nfs/dbraw/zinc/28/53/89/829285389.db2.gz BRTLMAHGSCFFBH-UHFFFAOYSA-N -1 0 302.371 -0.096 20 0 DBADRM CCOC[C@@H]1CCCN(C(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001119849519 829312582 /nfs/dbraw/zinc/31/25/82/829312582.db2.gz WLENJJXGXIDHKU-SNVBAGLBSA-N -1 0 301.343 -0.945 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)NCC(=O)[N-]OC)C[C@H](CC)O1 ZINC001119848872 829312997 /nfs/dbraw/zinc/31/29/97/829312997.db2.gz RVWYGIHOELIHQJ-UWVGGRQHSA-N -1 0 301.343 -0.804 20 0 DBADRM CCC1(CC)CN(C(=O)C(=O)NCC(=O)[N-]OC)CCS1 ZINC001119926567 829325237 /nfs/dbraw/zinc/32/52/37/829325237.db2.gz YQWGSOWGBQMOCK-UHFFFAOYSA-N -1 0 317.411 -0.086 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC[C@H](C2CCOCC2)C1 ZINC001120191121 829340763 /nfs/dbraw/zinc/34/07/63/829340763.db2.gz SPVSGQMPEMYBNB-LBPRGKRZSA-N -1 0 324.385 -0.006 20 0 DBADRM COCCO[C@@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2C)C1 ZINC001121351389 829467311 /nfs/dbraw/zinc/46/73/11/829467311.db2.gz SLAZEQDSIMBNCO-SNVBAGLBSA-N -1 0 322.369 -0.329 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)Nc2cnc(F)cn2)c1[O-] ZINC001121456321 829484269 /nfs/dbraw/zinc/48/42/69/829484269.db2.gz WGNMOIYYSBYAOI-ZETCQYMHSA-N -1 0 310.289 -0.444 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)Nc2ccnc(C)n2)c1[O-] ZINC001121454414 829484612 /nfs/dbraw/zinc/48/46/12/829484612.db2.gz JWOACDKLEGDVAO-SECBINFHSA-N -1 0 306.326 -0.275 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)NOCCC(F)(F)F)CC1 ZINC001121816694 829516400 /nfs/dbraw/zinc/51/64/00/829516400.db2.gz CRIYCJBGBJOCNE-UHFFFAOYSA-N -1 0 313.232 -0.191 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)c1ccnc(-n2cncn2)c1 ZINC001176727062 833417753 /nfs/dbraw/zinc/41/77/53/833417753.db2.gz XMGCGRPPAHKZCL-UHFFFAOYSA-N -1 0 311.309 -0.015 20 0 DBADRM C[C@H]1CC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C[C@H](C)O1 ZINC001121899715 829526440 /nfs/dbraw/zinc/52/64/40/829526440.db2.gz FHQCUJJCPJHEGS-UWVGGRQHSA-N -1 0 313.354 -0.119 20 0 DBADRM O=C(Cc1nnn[n-]1)N1C[C@@H]2C[C@H]1CN(C(=O)c1ccco1)C2 ZINC001176840736 833423601 /nfs/dbraw/zinc/42/36/01/833423601.db2.gz MWNZLCLVMDFFBK-ZJUUUORDSA-N -1 0 316.321 -0.292 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001176842269 833423804 /nfs/dbraw/zinc/42/38/04/833423804.db2.gz FMAIRLMPSVHNFO-UHFFFAOYSA-N -1 0 314.305 -0.175 20 0 DBADRM COc1ccc2c(c1)NC(=O)C[C@H]2CNC(=O)Cc1nnn[n-]1 ZINC001176844546 833424533 /nfs/dbraw/zinc/42/45/33/833424533.db2.gz BSWBEFLXPNZHRD-QMMMGPOBSA-N -1 0 316.321 -0.007 20 0 DBADRM O=C(Cc1nnn[n-]1)NC[C@@H]1CN(c2ccccc2)CCO1 ZINC001176847050 833424620 /nfs/dbraw/zinc/42/46/20/833424620.db2.gz GDAMNEZLCCATPE-GFCCVEGCSA-N -1 0 302.338 -0.236 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cc1nnn[n-]1)c1ccc(OC)cc1 ZINC001176844820 833424713 /nfs/dbraw/zinc/42/47/13/833424713.db2.gz GAABDOUFZJNPJJ-LBPRGKRZSA-N -1 0 305.294 -0.219 20 0 DBADRM O=C(Cc1nnn[n-]1)NCC1CCN(c2ncccn2)CC1 ZINC001176846956 833424870 /nfs/dbraw/zinc/42/48/70/833424870.db2.gz CDTMOARQZNDCDY-UHFFFAOYSA-N -1 0 302.342 -0.435 20 0 DBADRM COc1cc(CNC(=O)Cc2nnn[n-]2)ccc1OC1COC1 ZINC001176844467 833425015 /nfs/dbraw/zinc/42/50/15/833425015.db2.gz AGXIOIBECDSWBZ-UHFFFAOYSA-N -1 0 319.321 -0.155 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CN(C)c2ncccn2)c1[O-] ZINC001125046952 829818345 /nfs/dbraw/zinc/81/83/45/829818345.db2.gz ASQYANPWKGNEOO-SNVBAGLBSA-N -1 0 320.353 -0.217 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNCc2nc(C3CC3)nn2C)c1[O-] ZINC001125734239 829876174 /nfs/dbraw/zinc/87/61/74/829876174.db2.gz LEFRXSDXPPFENA-UHFFFAOYSA-N -1 0 319.369 -0.051 20 0 DBADRM CCCCn1nnnc1CNCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001125745949 829877536 /nfs/dbraw/zinc/87/75/36/829877536.db2.gz XFTWPLKVONMGEH-UHFFFAOYSA-N -1 0 322.373 -0.270 20 0 DBADRM CO[N-]C(=O)CNC(=O)C1(C(=O)OC(C)(C)C)CCOCC1 ZINC001179623983 833553538 /nfs/dbraw/zinc/55/35/38/833553538.db2.gz WPOBUAARXOBREW-UHFFFAOYSA-N -1 0 316.354 -0.081 20 0 DBADRM NC(=O)c1nccnc1NC(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180170335 833571222 /nfs/dbraw/zinc/57/12/22/833571222.db2.gz HQESYOBKHNTVPD-UHFFFAOYSA-N -1 0 310.163 -0.131 20 0 DBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001180172306 833571854 /nfs/dbraw/zinc/57/18/54/833571854.db2.gz SCXCRKLQHGLIGS-PHDIDXHHSA-N -1 0 303.208 -0.457 20 0 DBADRM Cn1c(=O)cc(NC(=O)C(F)(F)C(F)(F)C(=O)[O-])[nH]c1=O ZINC001180176778 833571856 /nfs/dbraw/zinc/57/18/56/833571856.db2.gz OJMWDVVRAIHUQV-UHFFFAOYSA-N -1 0 313.163 -0.220 20 0 DBADRM CC(C)C(=O)NCc1cnn2c1CN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001128214306 830068479 /nfs/dbraw/zinc/06/84/79/830068479.db2.gz QLIVHTXZBOVIED-UHFFFAOYSA-N -1 0 319.369 -0.005 20 0 DBADRM COC(=O)/C=C\[C@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001181324709 833626456 /nfs/dbraw/zinc/62/64/56/833626456.db2.gz ASLLHUOAKDPRCP-NMTCXDENSA-N -1 0 316.321 -0.078 20 0 DBADRM Cc1cnc(CNCCNC(=O)CCCn2c(=O)[n-][nH]c2=O)o1 ZINC001130556366 830340569 /nfs/dbraw/zinc/34/05/69/830340569.db2.gz DBNUGSNOVRRDNZ-UHFFFAOYSA-N -1 0 324.341 -0.328 20 0 DBADRM Cc1cnc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)s1 ZINC001130862641 830400116 /nfs/dbraw/zinc/40/01/16/830400116.db2.gz CIMPJXKAUDHQOG-UHFFFAOYSA-N -1 0 310.339 -0.433 20 0 DBADRM C[C@@H](NCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ncccn1 ZINC001130864972 830401140 /nfs/dbraw/zinc/40/11/40/830401140.db2.gz OACOGRMWBPBMBA-SSDOTTSWSA-N -1 0 305.298 -0.847 20 0 DBADRM Cc1nc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)cs1 ZINC001130864769 830401233 /nfs/dbraw/zinc/40/12/33/830401233.db2.gz HQBFXCYFBNXAGR-UHFFFAOYSA-N -1 0 310.339 -0.433 20 0 DBADRM O=C(NCCNCc1noc(C2CC2)n1)c1n[nH]c(=O)[n-]c1=O ZINC001130864509 830401402 /nfs/dbraw/zinc/40/14/02/830401402.db2.gz BCOPSTSTFOUQPR-UHFFFAOYSA-N -1 0 321.297 -0.937 20 0 DBADRM CCc1nnc([C@H](C)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001130865348 830402874 /nfs/dbraw/zinc/40/28/74/830402874.db2.gz VQASNJLQPXZKLB-LURJTMIESA-N -1 0 323.313 -0.691 20 0 DBADRM Cn1[nH]c(CNCCNC(=O)c2ncc(Cl)s2)nc1=O ZINC001131293759 830450383 /nfs/dbraw/zinc/45/03/83/830450383.db2.gz FWNYVKNRCFJRCV-UHFFFAOYSA-N -1 0 316.774 -0.262 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1ccnc(F)c1 ZINC001131922602 830561168 /nfs/dbraw/zinc/56/11/68/830561168.db2.gz YVMPHGHJVAUFLL-UHFFFAOYSA-N -1 0 302.269 -0.078 20 0 DBADRM C[C@@H](NCCNC(=O)c1cnc([O-])n(C)c1=O)c1ncccn1 ZINC001132241972 830612275 /nfs/dbraw/zinc/61/22/75/830612275.db2.gz FJCJTOYPZSXGDB-SECBINFHSA-N -1 0 318.337 -0.644 20 0 DBADRM Cc1noc([C@@H](C)NCCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001132247870 830613567 /nfs/dbraw/zinc/61/35/67/830613567.db2.gz LPKPWFBZPCHUBT-SSDOTTSWSA-N -1 0 322.325 -0.742 20 0 DBADRM O=C(Cn1nc(Cl)ccc1=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001181894136 833648122 /nfs/dbraw/zinc/64/81/22/833648122.db2.gz OJESFLAYSYUPGG-MRVPVSSYSA-N -1 0 302.699 -0.678 20 0 DBADRM Cn1[nH]c(CNCCNC(=O)c2cccc3c2OCC3)nc1=O ZINC001134204759 830907976 /nfs/dbraw/zinc/90/79/76/830907976.db2.gz IXRVNXBFPQHMPZ-UHFFFAOYSA-N -1 0 317.349 -0.437 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1coc2c1C(=O)NCC(C)(C)C2 ZINC001134417586 830934853 /nfs/dbraw/zinc/93/48/53/830934853.db2.gz SPHILLHFHUXHFJ-UHFFFAOYSA-N -1 0 309.322 -0.001 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC001134414550 830935045 /nfs/dbraw/zinc/93/50/45/830935045.db2.gz OBTLBGKXZOJDRP-UHFFFAOYSA-N -1 0 319.339 -0.754 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC001134634241 830958360 /nfs/dbraw/zinc/95/83/60/830958360.db2.gz ATJPCXMABUAYFC-UHFFFAOYSA-N -1 0 317.305 -0.621 20 0 DBADRM Cc1cnc(CNCCNC(=O)c2c[n-]n3c2nccc3=O)o1 ZINC001134938620 830992411 /nfs/dbraw/zinc/99/24/11/830992411.db2.gz CHNUFQVYSZZSGH-UHFFFAOYSA-N -1 0 316.321 -0.161 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCc1cn2ccccc2n1 ZINC001135939928 831139568 /nfs/dbraw/zinc/13/95/68/831139568.db2.gz WPWMKNDJBLIRAX-UHFFFAOYSA-N -1 0 302.294 -0.304 20 0 DBADRM CN1CCCC[C@H](C(=O)N2CCO[C@H](c3nnn[n-]3)C2)C1=O ZINC001136655979 831164657 /nfs/dbraw/zinc/16/46/57/831164657.db2.gz OOOJUIVMNRYOGL-UWVGGRQHSA-N -1 0 308.342 -0.642 20 0 DBADRM CN1CCCC[C@@H](C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)C1=O ZINC001136655978 831165215 /nfs/dbraw/zinc/16/52/15/831165215.db2.gz OOOJUIVMNRYOGL-NXEZZACHSA-N -1 0 308.342 -0.642 20 0 DBADRM O=C(Nc1nnn[n-]1)c1c[nH]nc1I ZINC001136946642 831167537 /nfs/dbraw/zinc/16/75/37/831167537.db2.gz HXBASWNVGWWDSR-UHFFFAOYSA-N -1 0 305.039 -0.220 20 0 DBADRM O=C(Cn1ncn2nccc2c1=O)[N-]OCc1cccnc1 ZINC001137651141 831171005 /nfs/dbraw/zinc/17/10/05/831171005.db2.gz ZOIBCYMAGRMYJJ-UHFFFAOYSA-N -1 0 300.278 -0.466 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCc1nnc2n1CCCC2 ZINC001137970438 831172655 /nfs/dbraw/zinc/17/26/55/831172655.db2.gz JDJAKVYCJPIHMQ-UHFFFAOYSA-N -1 0 321.341 -0.634 20 0 DBADRM C[C@]1(C(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)CCNC1=O ZINC001137940885 831172812 /nfs/dbraw/zinc/17/28/12/831172812.db2.gz QFEOESIIPWOZIO-LBPRGKRZSA-N -1 0 313.335 -0.496 20 0 DBADRM O=C(C[C@@H]1CC(=O)NC1=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001138244565 831174637 /nfs/dbraw/zinc/17/46/37/831174637.db2.gz KLVORSRZLGCUQM-SSDOTTSWSA-N -1 0 316.277 -0.641 20 0 DBADRM COCCO[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001138279756 831174738 /nfs/dbraw/zinc/17/47/38/831174738.db2.gz KPEYEKDDWKYFGU-JTQLQIEISA-N -1 0 314.342 -0.267 20 0 DBADRM O=C(N[C@H](CO)Cc1ccncc1)c1c[n-]n2c1nccc2=O ZINC001138329060 831175400 /nfs/dbraw/zinc/17/54/00/831175400.db2.gz HPNGVGKXZWPOKT-NSHDSACASA-N -1 0 313.317 -0.249 20 0 DBADRM O=C(/C=C\Cn1cncn1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001138438193 831175543 /nfs/dbraw/zinc/17/55/43/831175543.db2.gz RFGWPJWZBWQUTP-JKERVTFKSA-N -1 0 306.355 -0.336 20 0 DBADRM O=C(/C=C/Cn1cncn1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001138438191 831175899 /nfs/dbraw/zinc/17/58/99/831175899.db2.gz RFGWPJWZBWQUTP-GPYPMJJRSA-N -1 0 306.355 -0.336 20 0 DBADRM O=C([O-])COc1ccc(CN2CC(N3CCNC(=O)C3)C2)cc1 ZINC001138927657 831177906 /nfs/dbraw/zinc/17/79/06/831177906.db2.gz VETZYVKJRZSEST-UHFFFAOYSA-N -1 0 319.361 -0.234 20 0 DBADRM O=C(c1c(F)ccnc1F)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001138986466 831178282 /nfs/dbraw/zinc/17/82/82/831178282.db2.gz BZYQJDYJQXKLEZ-UHFFFAOYSA-N -1 0 310.264 -0.003 20 0 DBADRM Nc1c2c(=O)nccc-2[n-]n1C(=O)CNC(=O)c1cccnc1 ZINC001142112979 831203695 /nfs/dbraw/zinc/20/36/95/831203695.db2.gz QTEWIFXKWWTZIY-UHFFFAOYSA-N -1 0 312.289 -0.276 20 0 DBADRM COc1ncc(C=CC(=O)N[C@H]2SC(=O)[N-]C2=O)c(OC)n1 ZINC001142452357 831212385 /nfs/dbraw/zinc/21/23/85/831212385.db2.gz NMPMRKXYDOOGJF-FSIBCCDJSA-N -1 0 324.318 -0.068 20 0 DBADRM C[C@H]1[C@H](NC(=O)C2(F)CCOCC2)C(=O)N1S(=O)(=O)[O-] ZINC001142610639 831216834 /nfs/dbraw/zinc/21/68/34/831216834.db2.gz HWWAGOYXIIAMPJ-BQBZGAKWSA-N -1 0 310.303 -0.977 20 0 DBADRM COCC(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001142820981 831220471 /nfs/dbraw/zinc/22/04/71/831220471.db2.gz BBWAHJSTPOMOHL-UHFFFAOYSA-N -1 0 300.336 -0.110 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cc2cccc(O)c2)C(=O)N1S(=O)(=O)[O-] ZINC001142853884 831221700 /nfs/dbraw/zinc/22/17/00/831221700.db2.gz GNGKWJNZZBHIGE-CPCISQLKSA-N -1 0 314.319 -0.547 20 0 DBADRM NC(=O)CCC(=O)NCCNC(=O)C(F)(F)Br ZINC001142961570 831224575 /nfs/dbraw/zinc/22/45/75/831224575.db2.gz RBYQKQBNOODIHG-UHFFFAOYSA-N -1 0 316.102 -0.528 20 0 DBADRM O=C([O-])C(=O)N1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001143420146 831237157 /nfs/dbraw/zinc/23/71/57/831237157.db2.gz TUJIEHOBXMOHIP-UTUOFQBUSA-N -1 0 310.350 -0.292 20 0 DBADRM COc1cc(C[C@@H](O)C(=O)NCS(=O)(=O)[O-])ccc1O ZINC001143603401 831240575 /nfs/dbraw/zinc/24/05/75/831240575.db2.gz SSTNKOGRNUHAGB-SECBINFHSA-N -1 0 305.308 -0.734 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H]1[C@H](O)CCN1Cc1ccccc1 ZINC001143675594 831241901 /nfs/dbraw/zinc/24/19/01/831241901.db2.gz JAHMESSLYLNYSL-DGCLKSJQSA-N -1 0 302.338 -0.549 20 0 DBADRM O=C(NCS(=O)(=O)[O-])[C@@H]1[C@H](O)CCN1Cc1ccccc1 ZINC001143677789 831243368 /nfs/dbraw/zinc/24/33/68/831243368.db2.gz VDAQDDUQRHZXSC-NEPJUHHUSA-N -1 0 314.363 -0.417 20 0 DBADRM COc1cccc(-n2cc(C(=O)NCc3nnn[n-]3)nn2)c1 ZINC001143974478 831245530 /nfs/dbraw/zinc/24/55/30/831245530.db2.gz PVUUQEHLQKKWBX-UHFFFAOYSA-N -1 0 300.282 -0.281 20 0 DBADRM CNS(=O)(=O)c1ccc(O)c(NC(=O)/C=C/C(=O)OC)c1 ZINC001144102197 831246829 /nfs/dbraw/zinc/24/68/29/831246829.db2.gz QPCLUBQISSOUSP-AATRIKPKSA-N -1 0 314.319 -0.032 20 0 DBADRM C[C@H]1[C@H](NC(=O)CC2CCC(O)CC2)C(=O)N1S(=O)(=O)[O-] ZINC001144352460 831251920 /nfs/dbraw/zinc/25/19/20/831251920.db2.gz NZZPRHGBKBCAOC-XVLZHWOZSA-N -1 0 320.367 -0.554 20 0 DBADRM CSCC[C@H](NC(C)=O)C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001144865123 831261596 /nfs/dbraw/zinc/26/15/96/831261596.db2.gz VLTWMJCHYZRVKW-RCOVLWMOSA-N -1 0 305.381 -0.331 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001145104161 831265374 /nfs/dbraw/zinc/26/53/74/831265374.db2.gz BOPQLMGQPFFWRK-SVRRBLITSA-N -1 0 315.330 -0.599 20 0 DBADRM NC(=O)c1ncc([N-]S(=O)(=O)c2cnc(Cl)nc2)cn1 ZINC001185003507 833776867 /nfs/dbraw/zinc/77/68/67/833776867.db2.gz BVQSJFMGUKIYLM-UHFFFAOYSA-N -1 0 314.714 -0.180 20 0 DBADRM Cc1noc(C)c1NC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001185201290 833783391 /nfs/dbraw/zinc/78/33/91/833783391.db2.gz YIPDQRYEHUFPCP-XNCJUZBTSA-N -1 0 318.311 -0.185 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cc(C3CC3)on2)C(=O)N1S(=O)(=O)[O-] ZINC001146927842 831311288 /nfs/dbraw/zinc/31/12/88/831311288.db2.gz KVBPFGVTEOUEOG-CDUCUWFYSA-N -1 0 315.307 -0.316 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1=O ZINC001147530685 831379734 /nfs/dbraw/zinc/37/97/34/831379734.db2.gz WECWUQCIOBOWDZ-UHFFFAOYSA-N -1 0 307.310 -0.718 20 0 DBADRM Cc1cc(=O)c(C(=O)NC(=N)SCCS(=O)(=O)[O-])c[nH]1 ZINC001147643063 831391223 /nfs/dbraw/zinc/39/12/23/831391223.db2.gz BEECJJBORQPYBB-UHFFFAOYSA-N -1 0 319.364 -0.031 20 0 DBADRM Cc1conc1CNCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147726521 831402886 /nfs/dbraw/zinc/40/28/86/831402886.db2.gz XUUPILIDUHUYNO-UHFFFAOYSA-N -1 0 317.309 -0.766 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2ccnc3c2CC(=O)N3)C(=O)N1C ZINC001148186518 831434671 /nfs/dbraw/zinc/43/46/71/831434671.db2.gz FAAVNXHNHJEADR-ZCFIWIBFSA-N -1 0 303.278 -0.497 20 0 DBADRM Cn1ccc(C(=O)N2CCN3C(=O)COC[C@H]3C2)c1CC(=O)[O-] ZINC001177365126 833465093 /nfs/dbraw/zinc/46/50/93/833465093.db2.gz PFOZKTSLXXAPBJ-SNVBAGLBSA-N -1 0 321.333 -0.665 20 0 DBADRM O=C(NCc1nnnn1C1CC1)c1c[n-]n2c1nccc2=O ZINC001148507328 831459282 /nfs/dbraw/zinc/45/92/82/831459282.db2.gz BPNRXWNJVNVQAZ-UHFFFAOYSA-N -1 0 300.282 -0.726 20 0 DBADRM Cn1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1CC(=O)[O-] ZINC001177370480 833465186 /nfs/dbraw/zinc/46/51/86/833465186.db2.gz OWBZQGBKIRXJCF-QMMMGPOBSA-N -1 0 300.336 -0.431 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)NC[C@H]1CNC(=O)CO1 ZINC001177346482 833463937 /nfs/dbraw/zinc/46/39/37/833463937.db2.gz YZVUTGHKPUPKNQ-RXMQYKEDSA-N -1 0 320.421 -0.450 20 0 DBADRM CCC(CO)(CO)NC(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148927315 831479082 /nfs/dbraw/zinc/47/90/82/831479082.db2.gz MHPFJWBLELPHNQ-UHFFFAOYSA-N -1 0 319.335 -0.498 20 0 DBADRM O=C(c1cc(S(=O)(=O)[O-])ccc1O)N1C[C@H](O)C[C@@H]1CO ZINC001148927283 831479309 /nfs/dbraw/zinc/47/93/09/831479309.db2.gz KVKIYCCJRAWWHK-HTQZYQBOSA-N -1 0 317.319 -0.793 20 0 DBADRM Cc1nc(CNCCNC(=O)Cn2c(=O)[n-][nH]c2=O)oc1C ZINC001149141623 831500029 /nfs/dbraw/zinc/50/00/29/831500029.db2.gz RRYLBPOICBTUBB-UHFFFAOYSA-N -1 0 310.314 -0.800 20 0 DBADRM Cc1csc(CNCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001149140539 831500528 /nfs/dbraw/zinc/50/05/28/831500528.db2.gz DMDMVKZYCHUOIX-UHFFFAOYSA-N -1 0 312.355 -0.640 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNCc1cc(C2CC2)no1 ZINC001149160769 831502049 /nfs/dbraw/zinc/50/20/49/831502049.db2.gz DUWBFVOPUQISGG-UHFFFAOYSA-N -1 0 322.325 -0.539 20 0 DBADRM O=C(NCCCc1c[nH][nH]c1=O)c1c[n-]n2c1nccc2=O ZINC001149261646 831512520 /nfs/dbraw/zinc/51/25/20/831512520.db2.gz BWCVDBGALQNVGT-MRVPVSSYSA-N -1 0 302.294 -0.736 20 0 DBADRM O=C(CCc1nnn[n-]1)NCCNC(=O)c1ccccc1F ZINC001150250581 831602985 /nfs/dbraw/zinc/60/29/85/831602985.db2.gz KMYKBDORVQELSH-UHFFFAOYSA-N -1 0 306.301 -0.182 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cc2ncccn2n1 ZINC001150690971 831639166 /nfs/dbraw/zinc/63/91/66/831639166.db2.gz NTMCBGPMCXRYCB-QMMMGPOBSA-N -1 0 306.278 -0.135 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2ccnc3[nH]ccc32)C(=O)N1S(=O)(=O)[O-] ZINC001150972232 831655553 /nfs/dbraw/zinc/65/55/53/831655553.db2.gz DMISRVBOJDXERE-RCOVLWMOSA-N -1 0 324.318 -0.354 20 0 DBADRM O=C(N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)[C@@H]1CC(=O)N1 ZINC001151369950 831680761 /nfs/dbraw/zinc/68/07/61/831680761.db2.gz KXJXPKSUKIBJOD-ZJUUUORDSA-N -1 0 301.306 -0.201 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)CN1CCCC1=O ZINC001151824600 831714719 /nfs/dbraw/zinc/71/47/19/831714719.db2.gz LPCIAFOVRCMRQM-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1nnc2cnccn21 ZINC001152031285 831720648 /nfs/dbraw/zinc/72/06/48/831720648.db2.gz ZWBDXLGYRBCYEA-ZETCQYMHSA-N -1 0 307.266 -0.740 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cccc2c1NC(=O)C2=O ZINC001152456159 831751370 /nfs/dbraw/zinc/75/13/70/831751370.db2.gz UFGNTCUYVKWITO-LLVKDONJSA-N -1 0 305.271 -0.140 20 0 DBADRM CN(C[C@H](O)CO)C(=O)c1sc(C(=O)[O-])c2c1OCCO2 ZINC001152701071 831770352 /nfs/dbraw/zinc/77/03/52/831770352.db2.gz MQTBDDYEXLPPNX-LURJTMIESA-N -1 0 317.319 -0.357 20 0 DBADRM O=C(CCO)CNC(=O)c1sc(C(=O)[O-])c2c1OCCO2 ZINC001152713441 831770361 /nfs/dbraw/zinc/77/03/61/831770361.db2.gz FQWVYLMZMAXYDF-UHFFFAOYSA-N -1 0 315.303 -0.101 20 0 DBADRM O=C(c1ccc2[nH]c(=O)[nH]c2n1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001153000576 831785412 /nfs/dbraw/zinc/78/54/12/831785412.db2.gz GCQINCIBGUTPAZ-ZCFIWIBFSA-N -1 0 300.282 -0.194 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@@]2(O)CCOC2)ccc1[O-] ZINC001153032559 831787890 /nfs/dbraw/zinc/78/78/90/831787890.db2.gz HVYPLGUCHBTWJJ-LLVKDONJSA-N -1 0 302.308 -0.871 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1cnnn1C ZINC001153064639 831789444 /nfs/dbraw/zinc/78/94/44/831789444.db2.gz MKBGCTGWLQQDGX-MRVPVSSYSA-N -1 0 308.346 -0.721 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cccc3ccnn32)C(=O)N1S(=O)(=O)[O-] ZINC001153565091 831816255 /nfs/dbraw/zinc/81/62/55/831816255.db2.gz MLKASUPQVWOFAY-XVKPBYJWSA-N -1 0 324.318 -0.534 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)Cn1nccn1 ZINC001153605564 831820762 /nfs/dbraw/zinc/82/07/62/831820762.db2.gz ZFHJWRSBBIVZAX-SECBINFHSA-N -1 0 308.346 -0.871 20 0 DBADRM O=C(c1c[n-]c2cccnc2c1=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001153859194 831840990 /nfs/dbraw/zinc/84/09/90/831840990.db2.gz XYZQJOGHNRNUOY-CABZTGNLSA-N -1 0 303.318 -0.262 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001153904063 831846789 /nfs/dbraw/zinc/84/67/89/831846789.db2.gz KYHWFCYNCDDYND-MRVPVSSYSA-N -1 0 312.374 -0.652 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc(-n2cnnc2)cc1 ZINC001154155453 831864797 /nfs/dbraw/zinc/86/47/97/831864797.db2.gz RXALHXIUQHGZJZ-UHFFFAOYSA-N -1 0 301.266 -0.091 20 0 DBADRM CCN(Cc1ccon1)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001154178477 831865703 /nfs/dbraw/zinc/86/57/03/831865703.db2.gz KSPQYNUOHDBALA-MRVPVSSYSA-N -1 0 322.325 -0.089 20 0 DBADRM Nc1ncc2c(n1)CCN(C(=O)c1c[n-]n3c1nccc3=O)C2 ZINC001154603910 831890383 /nfs/dbraw/zinc/89/03/83/831890383.db2.gz KKZJBNIDRWKYEJ-UHFFFAOYSA-N -1 0 311.305 -0.407 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cnc2c(c1)NC(=O)CS2 ZINC001154635920 831892848 /nfs/dbraw/zinc/89/28/48/831892848.db2.gz FQLKNOOIGOIBOV-UHFFFAOYSA-N -1 0 306.307 -0.121 20 0 DBADRM Cn1cc(C(=O)NCC(=O)CCC(=O)[O-])c(=O)c2cccn21 ZINC001154655068 831893558 /nfs/dbraw/zinc/89/35/58/831893558.db2.gz KNPCCWDNZQEEMN-UHFFFAOYSA-N -1 0 305.290 -0.198 20 0 DBADRM COC[C@@H](NC(=O)COc1cccc(C=O)c1)c1nnn[n-]1 ZINC001155067730 831914772 /nfs/dbraw/zinc/91/47/72/831914772.db2.gz BIVJDDQOFBVGCD-LLVKDONJSA-N -1 0 305.294 -0.105 20 0 DBADRM COC[C@@H](NC(=O)Cc1cn2ccccc2n1)c1nnn[n-]1 ZINC001155069729 831914990 /nfs/dbraw/zinc/91/49/90/831914990.db2.gz RVEHBTZIURFAKG-SNVBAGLBSA-N -1 0 301.310 -0.106 20 0 DBADRM O=C(C[C@@H]1CC(=O)NC1=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001155135021 831918694 /nfs/dbraw/zinc/91/86/94/831918694.db2.gz QCHZKVNCQIQOIG-IUCAKERBSA-N -1 0 306.326 -0.966 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001155789679 831952952 /nfs/dbraw/zinc/95/29/52/831952952.db2.gz QDKKESITCNJJKW-ZJUUUORDSA-N -1 0 324.385 -0.494 20 0 DBADRM COc1cccn2c(C(=O)N[C@@H]3SC(=O)[N-]C3=O)nnc12 ZINC001156013265 831963475 /nfs/dbraw/zinc/96/34/75/831963475.db2.gz LBSCJUNQPVTEJM-SNVBAGLBSA-N -1 0 307.291 -0.223 20 0 DBADRM O=C1[N-]OC[C@H]1Nc1nc2scnc2c(N2CCOCC2)n1 ZINC001156691821 831994966 /nfs/dbraw/zinc/99/49/66/831994966.db2.gz XPEDBBZWTUCBAL-SSDOTTSWSA-N -1 0 322.350 -0.235 20 0 DBADRM O=C1[N-]OC[C@H]1Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC001156696480 831995195 /nfs/dbraw/zinc/99/51/95/831995195.db2.gz GJYDNLIQRJZDLP-SNVBAGLBSA-N -1 0 312.351 -0.292 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)[N-]OCC(C)(C)O ZINC001156707473 831995639 /nfs/dbraw/zinc/99/56/39/831995639.db2.gz FJMXQWBICIGBSZ-ONGXEEELSA-N -1 0 302.371 -0.139 20 0 DBADRM COC(=O)c1cnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc1 ZINC001157067559 832018393 /nfs/dbraw/zinc/01/83/93/832018393.db2.gz GUZVBBBUSXHFRO-FSPLSTOPSA-N -1 0 316.295 -0.923 20 0 DBADRM C[C@H]1[C@H](Nc2cc(N(C)C)ncn2)C(=O)N1S(=O)(=O)[O-] ZINC001157067676 832018426 /nfs/dbraw/zinc/01/84/26/832018426.db2.gz MQNUPUVFFWKNEI-RCOVLWMOSA-N -1 0 301.328 -0.643 20 0 DBADRM CCOc1ccnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157067589 832018637 /nfs/dbraw/zinc/01/86/37/832018637.db2.gz ITUYXKPDEZJYSH-XPUUQOCRSA-N -1 0 302.312 -0.311 20 0 DBADRM C[C@H]1[C@H](Nc2nccnc2N(C)C)C(=O)N1S(=O)(=O)[O-] ZINC001157067705 832019093 /nfs/dbraw/zinc/01/90/93/832019093.db2.gz OCYUCFLVEDZPCA-BQBZGAKWSA-N -1 0 301.328 -0.643 20 0 DBADRM COC(=O)c1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)ncn1 ZINC001157071181 832019401 /nfs/dbraw/zinc/01/94/01/832019401.db2.gz PZCJLVLXAKFBFJ-XNCJUZBTSA-N -1 0 316.295 -0.923 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1ccc2[nH]c3c(c2c1)CCNC3=O ZINC001157283128 832031025 /nfs/dbraw/zinc/03/10/25/832031025.db2.gz YZNFFDLAILKFJC-LLVKDONJSA-N -1 0 314.301 -0.386 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC001157834667 832065607 /nfs/dbraw/zinc/06/56/07/832065607.db2.gz ASLSLEVBJLEKPE-SSDOTTSWSA-N -1 0 321.380 -0.791 20 0 DBADRM CCn1cc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])cn1 ZINC001185653939 833803766 /nfs/dbraw/zinc/80/37/66/833803766.db2.gz LSFGLXUTONNJFO-UHFFFAOYSA-N -1 0 304.247 -0.610 20 0 DBADRM Cc1ncnc(C)c1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653820 833803955 /nfs/dbraw/zinc/80/39/55/833803955.db2.gz JRJQHEJUQVTDMY-UHFFFAOYSA-N -1 0 316.258 -0.419 20 0 DBADRM CN(CC(=O)N1CC(C(F)F)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662200 833804351 /nfs/dbraw/zinc/80/43/51/833804351.db2.gz QDWCRFAHCBRDEE-UHFFFAOYSA-N -1 0 300.202 -0.741 20 0 DBADRM CN(CC(=O)N(C)Cc1ccon1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656208 833804654 /nfs/dbraw/zinc/80/46/54/833804654.db2.gz DBQODONSYJAIGU-UHFFFAOYSA-N -1 0 305.231 -0.818 20 0 DBADRM CN(C)C(=O)N1CCc2cc(C(=O)N=c3nn[n-]n3C)[nH]c2C1 ZINC001269566246 832449631 /nfs/dbraw/zinc/44/96/31/832449631.db2.gz WURZGOKQKULMKV-UHFFFAOYSA-N -1 0 318.341 -0.748 20 0 DBADRM CC[C@@H](C)N1C[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269576438 832451240 /nfs/dbraw/zinc/45/12/40/832451240.db2.gz MAIXUYGNDQANAG-QMTHXVAHSA-N -1 0 322.369 -0.629 20 0 DBADRM CC(=O)[C@@H](C)N1CC[C@@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001269576772 832452253 /nfs/dbraw/zinc/45/22/53/832452253.db2.gz VVDCXOAQBAFITP-OTYXRUKQSA-N -1 0 320.353 -0.687 20 0 DBADRM CCn1ccnc1CN1C[C@H]2C[C@@H](C1)N2C(=O)Cc1nnn[n-]1 ZINC001270182739 832509190 /nfs/dbraw/zinc/50/91/90/832509190.db2.gz MELLBNVLTYJJSV-PHIMTYICSA-N -1 0 316.369 -0.556 20 0 DBADRM Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N2C(=O)Cc1nnn[n-]1 ZINC001270182658 832509695 /nfs/dbraw/zinc/50/96/95/832509695.db2.gz JERMETQCYYAFER-AOOOYVTPSA-N -1 0 319.394 -0.008 20 0 DBADRM Cc1cc(CN2C[C@H]3C[C@@H](C2)N3C(=O)Cc2nnn[n-]2)n(C)n1 ZINC001270183490 832510326 /nfs/dbraw/zinc/51/03/26/832510326.db2.gz XKIYODYESMDTIS-TXEJJXNPSA-N -1 0 316.369 -0.731 20 0 DBADRM CN1CC[C@@]2(CCN(C(=O)C[N-]C(=O)C(F)(F)F)C2)C1=O ZINC001270670851 832563938 /nfs/dbraw/zinc/56/39/38/832563938.db2.gz XBGODPZLKQNHEJ-NSHDSACASA-N -1 0 307.272 -0.254 20 0 DBADRM CC(C)(C)NC(=O)c1[nH]nc2c1CN(C(=O)Cc1nnn[n-]1)C2 ZINC001270784171 832577967 /nfs/dbraw/zinc/57/79/67/832577967.db2.gz DJIPWNCZXGYTJE-UHFFFAOYSA-N -1 0 318.341 -0.464 20 0 DBADRM CN(C)C(=O)[C@H]1CN(C(=O)Cc2nnn[n-]2)C[C@H]2CCCO[C@H]21 ZINC001270789724 832578819 /nfs/dbraw/zinc/57/88/19/832578819.db2.gz VVCUUIKTTJHEQO-GBIKHYSHSA-N -1 0 322.369 -0.916 20 0 DBADRM CN(C)C(=O)[C@H]1CCC[C@@]12CCN(C(=O)Cc1nnn[n-]1)C2 ZINC001270789171 832578954 /nfs/dbraw/zinc/57/89/54/832578954.db2.gz OAHLFCGXEDAIJX-YGRLFVJLSA-N -1 0 306.370 -0.151 20 0 DBADRM C/C=C(\C)C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CCOCC1 ZINC001271030658 832610488 /nfs/dbraw/zinc/61/04/88/832610488.db2.gz HJEHYCQGCNDELX-NYYWCZLTSA-N -1 0 323.397 -0.170 20 0 DBADRM O=C(C[C@@H]1C=CCCC1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001271304041 832654812 /nfs/dbraw/zinc/65/48/12/832654812.db2.gz RUPRARWUIJKTCC-LLVKDONJSA-N -1 0 321.381 -0.080 20 0 DBADRM CNC(=O)C1(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)CCC1 ZINC001272158803 832750599 /nfs/dbraw/zinc/75/05/99/832750599.db2.gz WANWZVUEVDHKJO-UHFFFAOYSA-N -1 0 324.385 -0.683 20 0 DBADRM NC(=O)[C@H]1COCCC12CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001272264207 832764071 /nfs/dbraw/zinc/76/40/71/832764071.db2.gz FUCPZWMCIPFCFL-SSDOTTSWSA-N -1 0 323.271 -0.985 20 0 DBADRM CN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)C[N-]C(=O)C(F)(F)F ZINC001272263304 832764216 /nfs/dbraw/zinc/76/42/16/832764216.db2.gz KVEGEHXJCJJIDF-HQJQHLMTSA-N -1 0 307.272 -0.256 20 0 DBADRM CN(C)C(=O)[C@@H]1CC12CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001272262572 832764429 /nfs/dbraw/zinc/76/44/29/832764429.db2.gz AWONYJSSLXNANY-ZETCQYMHSA-N -1 0 307.272 -0.398 20 0 DBADRM CC[C@@H](C)N1CC2(CN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O ZINC001272283086 832766929 /nfs/dbraw/zinc/76/69/29/832766929.db2.gz ORYJNTXJJHDWFF-SECBINFHSA-N -1 0 308.338 -0.033 20 0 DBADRM CC[C@@H](C)N1C(=O)COCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001272284004 832767334 /nfs/dbraw/zinc/76/73/34/832767334.db2.gz YULQWBJJBLUMNK-SECBINFHSA-N -1 0 308.338 -0.033 20 0 DBADRM COCCCN1C(=O)COCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001272286088 832767899 /nfs/dbraw/zinc/76/78/99/832767899.db2.gz NXQDCQPJGBYZBG-UHFFFAOYSA-N -1 0 324.337 -0.795 20 0 DBADRM COC(=O)c1ncc(=O)[nH]c1Nc1nccnc1CC(=O)[O-] ZINC001159419981 832814402 /nfs/dbraw/zinc/81/44/02/832814402.db2.gz TUXGAADJBABKHZ-UHFFFAOYSA-N -1 0 305.250 -0.283 20 0 DBADRM CNC(=O)CC(=O)NCCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001159910867 832857473 /nfs/dbraw/zinc/85/74/73/832857473.db2.gz AMHCALYAZRHOFL-UHFFFAOYSA-N -1 0 322.369 -0.715 20 0 DBADRM Cc1cc(N2CCC(C(=O)NCS(=O)(=O)[O-])CC2)ncn1 ZINC001177562126 833474142 /nfs/dbraw/zinc/47/41/42/833474142.db2.gz TUSUXKHDBOCTDD-UHFFFAOYSA-N -1 0 314.367 -0.037 20 0 DBADRM COC[C@H](C)Oc1cc(NC(=O)Cn2nn[n-]c2=S)[nH]n1 ZINC001177736405 833480422 /nfs/dbraw/zinc/48/04/22/833480422.db2.gz NJPBWBAIGOABSL-LURJTMIESA-N -1 0 313.343 -0.263 20 0 DBADRM Cc1nc(Cl)c(N)c(=N)n1C(=O)Cn1nn[n-]c1=S ZINC001177736394 833480533 /nfs/dbraw/zinc/48/05/33/833480533.db2.gz MZCPMNLFZYEHPP-UHFFFAOYSA-N -1 0 300.735 -0.478 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CCC2(CCNC(=O)O2)CC1 ZINC001177738648 833480569 /nfs/dbraw/zinc/48/05/69/833480569.db2.gz GETJNBCNKJMRGG-UHFFFAOYSA-N -1 0 312.355 -0.547 20 0 DBADRM CCOC(=O)c1ncc(NC(=O)Cn2nn[n-]c2=S)cn1 ZINC001177736373 833480626 /nfs/dbraw/zinc/48/06/26/833480626.db2.gz MCJLUGVOKYXVSF-UHFFFAOYSA-N -1 0 309.311 -0.433 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1ccccc1-c1nn[nH]n1 ZINC001177738536 833480648 /nfs/dbraw/zinc/48/06/48/833480648.db2.gz FFZNAQUKWXARPU-UHFFFAOYSA-N -1 0 303.311 -0.219 20 0 DBADRM CN(C)C(=O)[C@H]1CC12CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001177739286 833481001 /nfs/dbraw/zinc/48/10/01/833481001.db2.gz PCIVYTWNOSJZLP-SECBINFHSA-N -1 0 324.410 -0.321 20 0 DBADRM CCOC(=O)C1=C(NC(=O)Cn2nn[n-]c2=S)[C@@H](C)OC1 ZINC001177742368 833481030 /nfs/dbraw/zinc/48/10/30/833481030.db2.gz DLCRTYZEYIBHNW-ZCFIWIBFSA-N -1 0 313.339 -0.686 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1cccc2c1CC(=O)NC2 ZINC001177740935 833481033 /nfs/dbraw/zinc/48/10/33/833481033.db2.gz LKBDUGHDAHQGLJ-UHFFFAOYSA-N -1 0 304.335 -0.227 20 0 DBADRM Cc1ncc(CO)c(CNC(=O)Cn2nn[n-]c2=S)c1O ZINC001177742764 833481090 /nfs/dbraw/zinc/48/10/90/833481090.db2.gz FTTGHDYCGKQNQO-UHFFFAOYSA-N -1 0 310.339 -0.820 20 0 DBADRM COc1ccc(CNC(=O)Cn2nn[n-]c2=S)nc1OC ZINC001177743560 833481553 /nfs/dbraw/zinc/48/15/53/833481553.db2.gz OFYKVTSKIZOPSN-UHFFFAOYSA-N -1 0 310.339 -0.310 20 0 DBADRM COC(=O)C[C@H](NC(=O)Cn1nn[n-]c1=S)c1cccnc1 ZINC001177743559 833481585 /nfs/dbraw/zinc/48/15/85/833481585.db2.gz OFRCTFHAZYRFSD-VIFPVBQESA-N -1 0 322.350 -0.223 20 0 DBADRM CCOC(=O)c1cccc(CNC(=O)Cn2nn[n-]c2=S)n1 ZINC001177743623 833481704 /nfs/dbraw/zinc/48/17/04/833481704.db2.gz MUTLQJFGNZRQNL-UHFFFAOYSA-N -1 0 322.350 -0.150 20 0 DBADRM COC[C@@H](NC(=O)c1cnn2ccc(C)nc12)c1nnn[n-]1 ZINC001177827107 833482666 /nfs/dbraw/zinc/48/26/66/833482666.db2.gz DDLRRBHLEIMLSH-SECBINFHSA-N -1 0 302.298 -0.332 20 0 DBADRM COC[C@H](NC(=O)c1nnc2ccccc2n1)c1nnn[n-]1 ZINC001177827693 833483343 /nfs/dbraw/zinc/48/33/43/833483343.db2.gz HYZMOFJQJHULJO-VIFPVBQESA-N -1 0 300.282 -0.345 20 0 DBADRM CSCc1nc(CNC(=O)c2c[n-]n3c2nccc3=O)n[nH]1 ZINC001178070553 833490597 /nfs/dbraw/zinc/49/05/97/833490597.db2.gz VDCFLTPUSMYDJR-UHFFFAOYSA-N -1 0 319.350 -0.066 20 0 DBADRM O=C([O-])CN1CCCn2nc(C(=O)N[C@H]3C[C@H](O)C3)cc2C1=O ZINC001178371948 833504118 /nfs/dbraw/zinc/50/41/18/833504118.db2.gz YEHPVZISQCLZAC-KYZUINATSA-N -1 0 322.321 -0.933 20 0 DBADRM C[S@](=O)CCCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001178539455 833512494 /nfs/dbraw/zinc/51/24/94/833512494.db2.gz KNWUASDNISUKAM-QFIPXVFZSA-N -1 0 324.362 -0.235 20 0 DBADRM O=C(NCCOC1CCOCC1)c1c[n-]n2c1nccc2=O ZINC001178637503 833518737 /nfs/dbraw/zinc/51/87/37/833518737.db2.gz LHYDAHSRHIDALT-UHFFFAOYSA-N -1 0 306.322 -0.052 20 0 DBADRM Cn1c2ccccc2n(CC(=O)N[C@@H]2SC(=O)[N-]C2=O)c1=O ZINC001178793460 833524835 /nfs/dbraw/zinc/52/48/35/833524835.db2.gz BUEOMXUSXXGZDS-LLVKDONJSA-N -1 0 320.330 -0.235 20 0 DBADRM CS(=O)(=O)c1cccc(CC(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC001180007962 833566615 /nfs/dbraw/zinc/56/66/15/833566615.db2.gz PTVBPEMODFDMOX-UHFFFAOYSA-N -1 0 310.335 -0.227 20 0 DBADRM O=C(CN1c2ccccc2C(=O)C1=O)NCc1n[nH]c(=O)[n-]1 ZINC001180051896 833567885 /nfs/dbraw/zinc/56/78/85/833567885.db2.gz JOVWWHKXLKPZRB-UHFFFAOYSA-N -1 0 301.262 -0.644 20 0 DBADRM CS(=O)(=O)c1ccc(CCC(=O)NCc2nnn[n-]2)cc1 ZINC001180073389 833568584 /nfs/dbraw/zinc/56/85/84/833568584.db2.gz FCNHSAKGCGWCRF-UHFFFAOYSA-N -1 0 309.351 -0.148 20 0 DBADRM CN1CC[C@H](C(=O)NC(=N)SCCS(=O)(=O)[O-])CC1=O ZINC001180636819 833596169 /nfs/dbraw/zinc/59/61/69/833596169.db2.gz GLDOZBPEPKVVBL-ZETCQYMHSA-N -1 0 323.396 -0.473 20 0 DBADRM Nc1c[nH]nc1[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001180772772 833601534 /nfs/dbraw/zinc/60/15/34/833601534.db2.gz DAKBWTYLEWRLLF-MRVPVSSYSA-N -1 0 313.321 -0.042 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@H]2CCCC[C@@H]2O)C(=O)N1S(=O)(=O)[O-] ZINC001181091483 833616417 /nfs/dbraw/zinc/61/64/17/833616417.db2.gz NGDSCBGJYKIRHW-JBDRJPRFSA-N -1 0 306.340 -0.944 20 0 DBADRM COC(=O)/C=C/[C@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001181324710 833626399 /nfs/dbraw/zinc/62/63/99/833626399.db2.gz ASLLHUOAKDPRCP-UCUJLANTSA-N -1 0 316.321 -0.078 20 0 DBADRM CC(=O)N[C@@H](CC(F)(F)F)C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001181339469 833627668 /nfs/dbraw/zinc/62/76/68/833627668.db2.gz MMWBOXMZIGMNHW-MHTLYPKNSA-N -1 0 313.257 -0.131 20 0 DBADRM C[C@H]1C(=O)OC[C@@H]1C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001182086420 833656364 /nfs/dbraw/zinc/65/63/64/833656364.db2.gz KSSJFQOCOKWAME-MUWHJKNJSA-N -1 0 324.314 -0.134 20 0 DBADRM COc1ccccc1C(=O)N1CC(C(=O)N[C@@H]2CO[N-]C2=O)C1 ZINC001182229522 833665877 /nfs/dbraw/zinc/66/58/77/833665877.db2.gz ABBGNPIOPULKJD-LLVKDONJSA-N -1 0 319.317 -0.687 20 0 DBADRM O=C(CNC(=O)c1ccc(O)cc1)N[C@H]1SC(=O)[N-]C1=O ZINC001182972650 833697932 /nfs/dbraw/zinc/69/79/32/833697932.db2.gz BIVXUAMHFIECSL-NSHDSACASA-N -1 0 309.303 -0.453 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)CNC(=O)c1ccc(O)cc1 ZINC001182974464 833698268 /nfs/dbraw/zinc/69/82/68/833698268.db2.gz JOMKNQQDJFBISL-UHFFFAOYSA-N -1 0 308.290 -0.328 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)[C@H]1CCNC1=O ZINC001183011032 833700929 /nfs/dbraw/zinc/70/09/29/833700929.db2.gz HONQPERYBAGMPV-QMMMGPOBSA-N -1 0 309.303 -0.807 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)[C@@H]1CCNC1=O ZINC001183011027 833701010 /nfs/dbraw/zinc/70/10/10/833701010.db2.gz HONQPERYBAGMPV-MRVPVSSYSA-N -1 0 309.303 -0.807 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC001183023387 833702472 /nfs/dbraw/zinc/70/24/72/833702472.db2.gz WNPXZOYQAKVIJX-UHFFFAOYSA-N -1 0 322.350 -0.303 20 0 DBADRM COc1cc(CC(=O)C(=O)N[C@@H]2SC(=O)[N-]C2=O)ccc1O ZINC001184256079 833754473 /nfs/dbraw/zinc/75/44/73/833754473.db2.gz VCYOJYFJLQQAFE-GFCCVEGCSA-N -1 0 324.314 -0.062 20 0 DBADRM COc1ccc2[nH]cc(C(=O)C(=O)N=c3nn[n-]n3C)c2c1 ZINC001184489389 833760899 /nfs/dbraw/zinc/76/08/99/833760899.db2.gz VITBYXVHPARGBS-UHFFFAOYSA-N -1 0 300.278 -0.057 20 0 DBADRM CCCC[C@H](NC=O)C(=O)Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21 ZINC001184596087 833764778 /nfs/dbraw/zinc/76/47/78/833764778.db2.gz RWZUXYWKLJITAA-LURJTMIESA-N -1 0 308.298 -0.041 20 0 DBADRM Cc1ccc(S(=O)(=O)N(C)C[C@H](O)CO)cc1C(=O)[O-] ZINC001184674783 833766584 /nfs/dbraw/zinc/76/65/84/833766584.db2.gz UAWRLFYNDNLPJG-VIFPVBQESA-N -1 0 303.336 -0.333 20 0 DBADRM CSc1ncc([O-])c(C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 ZINC001185185141 833782382 /nfs/dbraw/zinc/78/23/82/833782382.db2.gz AXXPNSFGTLQIAW-ZCFIWIBFSA-N -1 0 303.365 -0.179 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CO[N-]C2=O)ccc1N1CCOCC1 ZINC001185911518 833817076 /nfs/dbraw/zinc/81/70/76/833817076.db2.gz PXJBUVYDRJOZEH-GFCCVEGCSA-N -1 0 305.334 -0.009 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)CCO ZINC001185928812 833817782 /nfs/dbraw/zinc/81/77/82/833817782.db2.gz OIUUJXWZUNJXOH-UHFFFAOYSA-N -1 0 301.320 -0.077 20 0 DBADRM NC(=O)COc1ccc(C(=O)NCC(=O)CCC(=O)[O-])cc1 ZINC001186072626 833830020 /nfs/dbraw/zinc/83/00/20/833830020.db2.gz ZVJWAHMIWUEMOR-UHFFFAOYSA-N -1 0 308.290 -0.286 20 0 DBADRM O=C1[N-]OC[C@H]1NS(=O)(=O)c1ccc2nsnc2c1 ZINC001186275223 833842502 /nfs/dbraw/zinc/84/25/02/833842502.db2.gz IBPGLUAVCPKMFT-MRVPVSSYSA-N -1 0 300.321 -0.600 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001186764359 833875352 /nfs/dbraw/zinc/87/53/52/833875352.db2.gz QVPQIAVERMTRBI-DVVUODLYSA-N -1 0 322.369 -0.932 20 0 DBADRM NC(=O)C1=NO[C@@H]2CN(C(=O)c3ccc([O-])c(F)c3F)C[C@H]12 ZINC001276859131 833904478 /nfs/dbraw/zinc/90/44/78/833904478.db2.gz YHAXMDULNZBNIS-POYBYMJQSA-N -1 0 311.244 -0.018 20 0 DBADRM CCOCCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001187254458 833912173 /nfs/dbraw/zinc/91/21/73/833912173.db2.gz OTXLVSSCCNNSOP-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C)C(=O)CN1CCc2onc(C(=O)[N-]c3nnco3)c2C1 ZINC001277334520 833945129 /nfs/dbraw/zinc/94/51/29/833945129.db2.gz SGXBKVYFTMJLMO-UHFFFAOYSA-N -1 0 320.309 -0.244 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cn1C ZINC001188078682 833964598 /nfs/dbraw/zinc/96/45/98/833964598.db2.gz YTIMADQHMSVTDS-CBAPKCEASA-N -1 0 301.324 -0.535 20 0 DBADRM CCOC(=O)c1nonc1[N-]S(=O)(=O)CCC(=O)OC ZINC001188349835 833977425 /nfs/dbraw/zinc/97/74/25/833977425.db2.gz GHJDFMSJLREFPH-UHFFFAOYSA-N -1 0 307.284 -0.449 20 0 DBADRM O=C(NC(CO)(CO)CO)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588503 833993662 /nfs/dbraw/zinc/99/36/62/833993662.db2.gz DUZGHIHLLILWGL-UHFFFAOYSA-N -1 0 309.240 -0.144 20 0 DBADRM CC(=O)N(C)CC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001188982485 834034845 /nfs/dbraw/zinc/03/48/45/834034845.db2.gz JQJRNZWXNGSIFP-SNVBAGLBSA-N -1 0 310.358 -0.979 20 0 DBADRM O=C(NC1CN(C2COC2)C1)c1ccccc1S(=O)(=O)[O-] ZINC001189714494 834106297 /nfs/dbraw/zinc/10/62/97/834106297.db2.gz ULOZKLGEUDAXNS-UHFFFAOYSA-N -1 0 312.347 -0.254 20 0 DBADRM O=C(NC1(CCO)COC1)c1ccccc1S(=O)(=O)[O-] ZINC001189698475 834106652 /nfs/dbraw/zinc/10/66/52/834106652.db2.gz GHDGOGYXEYIQIH-UHFFFAOYSA-N -1 0 301.320 -0.186 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1ccccc1S(=O)(=O)[O-])[C@@H](C)O ZINC001189698445 834106866 /nfs/dbraw/zinc/10/68/66/834106866.db2.gz FHFXSLGBWKPAOI-XCBNKYQSSA-N -1 0 317.319 -0.415 20 0 DBADRM CCc1cc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)no1 ZINC001190008666 834134722 /nfs/dbraw/zinc/13/47/22/834134722.db2.gz PQMDTDZQQAOUSR-XNCJUZBTSA-N -1 0 303.296 -0.631 20 0 DBADRM O=S(=O)([N-]CCN1CCOCC1)c1ncc(F)cc1F ZINC001190134331 834141637 /nfs/dbraw/zinc/14/16/37/834141637.db2.gz UZQHSBRGAQUDSL-UHFFFAOYSA-N -1 0 307.322 -0.030 20 0 DBADRM Cn1ncc([N-]S(=O)(=O)c2ncc(F)cc2F)c1C(N)=O ZINC001190141875 834142118 /nfs/dbraw/zinc/14/21/18/834142118.db2.gz VSHCHOGVHFAFFV-UHFFFAOYSA-N -1 0 317.277 -0.007 20 0 DBADRM O=S(=O)([N-][C@@H]1C=CS(=O)(=O)C1)c1ncc(F)cc1F ZINC001190191834 834145466 /nfs/dbraw/zinc/14/54/66/834145466.db2.gz JEKAQIVRLFIIER-SSDOTTSWSA-N -1 0 310.303 -0.051 20 0 DBADRM O=S(=O)([N-][C@H]1C=CS(=O)(=O)C1)c1ncc(F)cc1F ZINC001190191835 834145535 /nfs/dbraw/zinc/14/55/35/834145535.db2.gz JEKAQIVRLFIIER-ZETCQYMHSA-N -1 0 310.303 -0.051 20 0 DBADRM O=S(=O)([N-][C@H]1CCS(=O)(=O)C1)c1ncc(F)cc1F ZINC001190189463 834145692 /nfs/dbraw/zinc/14/56/92/834145692.db2.gz FVNTVMMPMIALSH-ZETCQYMHSA-N -1 0 312.319 -0.175 20 0 DBADRM O=C1CO[C@@H](C[N-]S(=O)(=O)c2cc(F)cc(F)c2F)CN1 ZINC001190400905 834155404 /nfs/dbraw/zinc/15/54/04/834155404.db2.gz ATYUGUYQBHMSCB-SSDOTTSWSA-N -1 0 324.280 -0.103 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cnc(-c2ccccn2)nc1O ZINC001190629562 834174554 /nfs/dbraw/zinc/17/45/54/834174554.db2.gz SLMVOGIWYBVADU-UHFFFAOYSA-N -1 0 313.277 -0.002 20 0 DBADRM CN(C1CCN(S(=O)(=O)c2ncc[n-]2)CC1)S(C)(=O)=O ZINC001190707570 834181665 /nfs/dbraw/zinc/18/16/65/834181665.db2.gz LEMIPQOXKZVMJB-UHFFFAOYSA-N -1 0 322.412 -0.546 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001190704159 834181714 /nfs/dbraw/zinc/18/17/14/834181714.db2.gz GTPKYHJHBDEFJV-TXEJJXNPSA-N -1 0 312.395 -0.107 20 0 DBADRM CCOC(=O)[C@@H]1CCN(S(=O)(=O)c2ncc[n-]2)CCC1=O ZINC001190708308 834182823 /nfs/dbraw/zinc/18/28/23/834182823.db2.gz LAKRSMGOFQXIHB-SECBINFHSA-N -1 0 315.351 -0.057 20 0 DBADRM CCOC(=O)[C@H]1CCN(S(=O)(=O)c2ncc[n-]2)CCC1=O ZINC001190708311 834183112 /nfs/dbraw/zinc/18/31/12/834183112.db2.gz LAKRSMGOFQXIHB-VIFPVBQESA-N -1 0 315.351 -0.057 20 0 DBADRM O=C1COC2(CCN(S(=O)(=O)c3ncc[n-]3)CC2)CN1 ZINC001190714412 834183239 /nfs/dbraw/zinc/18/32/39/834183239.db2.gz IMQGCTDSOFOANT-UHFFFAOYSA-N -1 0 300.340 -0.921 20 0 DBADRM O=C1COCCN1C1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001190716641 834183978 /nfs/dbraw/zinc/18/39/78/834183978.db2.gz VIDGHSDUUKMBPA-UHFFFAOYSA-N -1 0 314.367 -0.578 20 0 DBADRM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ncc[nH]1)c1cnccn1 ZINC001190755523 834187369 /nfs/dbraw/zinc/18/73/69/834187369.db2.gz VURBWBNANMTKHU-VIFPVBQESA-N -1 0 311.323 -0.218 20 0 DBADRM CCOC(=O)[C@@H]1CCOC[C@@H]1NS(=O)(=O)c1ncc[n-]1 ZINC001190756366 834188422 /nfs/dbraw/zinc/18/84/22/834188422.db2.gz PKOQWJCWGXONPZ-BDAKNGLRSA-N -1 0 303.340 -0.344 20 0 DBADRM Cn1cc(Br)cc(C(=O)N[C@@H]2CO[N-]C2=O)c1=O ZINC001191205455 834231797 /nfs/dbraw/zinc/23/17/97/834231797.db2.gz DIBWSUGRBLIJRH-SSDOTTSWSA-N -1 0 316.111 -0.692 20 0 DBADRM COc1cc(C(=O)NCS(=O)(=O)[O-])c(OC)nc1OC ZINC001191306635 834240353 /nfs/dbraw/zinc/24/03/53/834240353.db2.gz YDMMHPKEUHUNAJ-UHFFFAOYSA-N -1 0 306.296 -0.318 20 0 DBADRM COCC1(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001191367988 834246198 /nfs/dbraw/zinc/24/61/98/834246198.db2.gz FIBKDJRVKNFXPW-SNVBAGLBSA-N -1 0 309.370 -0.030 20 0 DBADRM C/C(=C/C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC1 ZINC001191408700 834249927 /nfs/dbraw/zinc/24/99/27/834249927.db2.gz JKSDMEAOWPRBBL-GKJMHVSUSA-N -1 0 307.354 -0.472 20 0 DBADRM Cn1[n-]nnc1=Nc1ccc(F)c(C(=O)N2CCOCC2)c1 ZINC001191418460 834250309 /nfs/dbraw/zinc/25/03/09/834250309.db2.gz KCZGBXDHDIXFQZ-UHFFFAOYSA-N -1 0 306.301 -0.013 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]c2oncc2C(N)=O)cc1 ZINC001191579530 834267485 /nfs/dbraw/zinc/26/74/85/834267485.db2.gz NTODHLBGDSAVJY-UHFFFAOYSA-N -1 0 324.318 -0.066 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)NCC[P@@](=O)([O-])O)cc1 ZINC001191632186 834273381 /nfs/dbraw/zinc/27/33/81/834273381.db2.gz ZGXSUFYGZDDGMX-UHFFFAOYSA-N -1 0 322.279 -0.498 20 0 DBADRM COC(=O)[C@H](COC(C)(C)C)NC(=O)NCS(=O)(=O)[O-] ZINC001191929395 834305039 /nfs/dbraw/zinc/30/50/39/834305039.db2.gz RBJGTDGNBSKKTM-ZETCQYMHSA-N -1 0 312.344 -0.512 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)NCC(=O)[N-]OCC ZINC001192106006 834331436 /nfs/dbraw/zinc/33/14/36/834331436.db2.gz HNFIAFRUDHELHV-VIFPVBQESA-N -1 0 310.372 -0.295 20 0 DBADRM CN(C[C@@H](O)CO)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192116667 834331958 /nfs/dbraw/zinc/33/19/58/834331958.db2.gz APDCUWRFESGTSS-LLVKDONJSA-N -1 0 317.363 -0.323 20 0 DBADRM COC[C@@H](OC)C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001192266570 834348130 /nfs/dbraw/zinc/34/81/30/834348130.db2.gz GDFJQOUKVCCBII-VHSXEESVSA-N -1 0 313.358 -0.796 20 0 DBADRM COC(=O)[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1C(=O)[O-] ZINC001238239978 834349493 /nfs/dbraw/zinc/34/94/93/834349493.db2.gz CPTWLBGRZQNHTP-NSHDSACASA-N -1 0 310.281 -0.003 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N[C@@H]2CNCCC2=O)c1 ZINC001238624580 834357552 /nfs/dbraw/zinc/35/75/52/834357552.db2.gz BJXMVFLQPDFNNG-SECBINFHSA-N -1 0 316.310 -0.267 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CNCCC2=O)ccc1F ZINC001238626788 834358124 /nfs/dbraw/zinc/35/81/24/834358124.db2.gz IIRJZTIKHRLRIT-SNVBAGLBSA-N -1 0 316.310 -0.267 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CNCCC2=O)ccc1O ZINC001238629583 834359529 /nfs/dbraw/zinc/35/95/29/834359529.db2.gz ZXAJSRWEFKJBKN-VIFPVBQESA-N -1 0 314.319 -0.700 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)NC(CCO)CCO)c1 ZINC001238733624 834363245 /nfs/dbraw/zinc/36/32/45/834363245.db2.gz PLBWXEYDDCCNDW-UHFFFAOYSA-N -1 0 303.336 -0.204 20 0 DBADRM COC(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)c1 ZINC001192386165 834366825 /nfs/dbraw/zinc/36/68/25/834366825.db2.gz DHYTWGMLHYZJOQ-ZYHUDNBSSA-N -1 0 309.318 -0.006 20 0 DBADRM NC(=O)[C@@H]1CCCN1c1cc(-c2cnn(CC(=O)[O-])c2)ncn1 ZINC001242183106 834402929 /nfs/dbraw/zinc/40/29/29/834402929.db2.gz GIZMPTNCGDQDAS-NSHDSACASA-N -1 0 316.321 -0.121 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N[C@H]2C[C@@H](O)C2)cc1 ZINC001192734249 834416004 /nfs/dbraw/zinc/41/60/04/834416004.db2.gz RWWBFLVPNMFLLZ-DTORHVGOSA-N -1 0 301.320 -0.048 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)NC2=CCOC2=O)cc1 ZINC001192753561 834417982 /nfs/dbraw/zinc/41/79/82/834417982.db2.gz NHDHHHZDRGNSDL-UHFFFAOYSA-N -1 0 313.287 -0.131 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246216313 834424493 /nfs/dbraw/zinc/42/44/93/834424493.db2.gz XQZKOXXPMKCGEM-GUBZILKMSA-N -1 0 302.327 -0.724 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1ccc([O-])c(F)c1F ZINC001192843271 834430812 /nfs/dbraw/zinc/43/08/12/834430812.db2.gz UANAYINVBXGYEP-UHFFFAOYSA-N -1 0 302.233 -0.311 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1cc(F)c([O-])cc1F ZINC001192877506 834435861 /nfs/dbraw/zinc/43/58/61/834435861.db2.gz REUBGBRRRZJUHG-UHFFFAOYSA-N -1 0 302.233 -0.311 20 0 DBADRM O=C1C[C@H](CNS(=O)(=O)c2cnccc2Cl)C(=O)N1 ZINC001192920957 834441149 /nfs/dbraw/zinc/44/11/49/834441149.db2.gz IOEWUVGOMPBDSQ-ZCFIWIBFSA-N -1 0 303.727 -0.324 20 0 DBADRM COC(=O)CNC(=O)CNS(=O)(=O)c1cnccc1Cl ZINC001192921586 834441308 /nfs/dbraw/zinc/44/13/08/834441308.db2.gz PWYGAPRJWSDJDU-UHFFFAOYSA-N -1 0 321.742 -0.698 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=S)NCCC[S@@](C)=O ZINC001246649189 834446029 /nfs/dbraw/zinc/44/60/29/834446029.db2.gz AUFKENDEGZLKTO-FFVOIRBGSA-N -1 0 324.424 -0.375 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N1C[C@@H](c2ccccc2)CS1(=O)=O ZINC001250404195 834479299 /nfs/dbraw/zinc/47/92/99/834479299.db2.gz VAPDCXIHEFNWQJ-MNOVXSKESA-N -1 0 313.331 -0.222 20 0 DBADRM Cn1[n-]nnc1=NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001251263866 834496844 /nfs/dbraw/zinc/49/68/44/834496844.db2.gz RZFFAVNGJMGXHS-ZDUSSCGKSA-N -1 0 312.374 -0.194 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)C1CCOCC1 ZINC001251355822 834498116 /nfs/dbraw/zinc/49/81/16/834498116.db2.gz JIBPBBSDAXCDPV-UHFFFAOYSA-N -1 0 318.351 -0.850 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC(C)(C)[C@@]1(O)CCCOC1 ZINC001251349729 834498212 /nfs/dbraw/zinc/49/82/12/834498212.db2.gz HSRJZPIAFXGPCW-CYBMUJFWSA-N -1 0 303.359 -0.469 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@H](CO)c1ccc(OC)cc1 ZINC001251350330 834498265 /nfs/dbraw/zinc/49/82/65/834498265.db2.gz UTFPDDHXUXECOG-LLVKDONJSA-N -1 0 311.338 -0.252 20 0 DBADRM NC(=O)c1cccnc1C(=O)NCCCC[P@@](=O)([O-])O ZINC001193615751 834515205 /nfs/dbraw/zinc/51/52/05/834515205.db2.gz JLYFZGWQYUDFER-UHFFFAOYSA-N -1 0 301.239 -0.132 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]([N-]S(=O)(=O)C(F)(F)F)C1 ZINC001252378075 834528330 /nfs/dbraw/zinc/52/83/30/834528330.db2.gz BNUZAPDVBPMQRP-ZCFIWIBFSA-N -1 0 310.319 -0.150 20 0 DBADRM CC(C)[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)C(F)(F)F)C(N)=O ZINC001252407195 834528992 /nfs/dbraw/zinc/52/89/92/834528992.db2.gz UAGVFOQICGJLPE-WDSKDSINSA-N -1 0 319.305 -0.560 20 0 DBADRM C[C@@](O)(CNCS(=O)(=O)[O-])C(=O)OCc1ccccc1 ZINC001253656532 834574469 /nfs/dbraw/zinc/57/44/69/834574469.db2.gz OUSQHDMTVWCPLI-GFCCVEGCSA-N -1 0 303.336 -0.084 20 0 DBADRM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1nc(=O)o[n-]1 ZINC001254027612 834584605 /nfs/dbraw/zinc/58/46/05/834584605.db2.gz LBWVGQORZGBXQA-RKDXNWHRSA-N -1 0 322.321 -0.456 20 0 DBADRM CNC(=O)c1cncc(C=CC(=O)NCc2nc(=O)o[n-]2)c1 ZINC001254033530 834584676 /nfs/dbraw/zinc/58/46/76/834584676.db2.gz NXTBJLJYNYKYHP-IHWYPQMZSA-N -1 0 303.278 -0.553 20 0 DBADRM COc1ccc(OC)c(S(=O)(=O)NCS(=O)(=O)[O-])c1 ZINC001254457026 834599419 /nfs/dbraw/zinc/59/94/19/834599419.db2.gz CALNZLYVNAEWQQ-UHFFFAOYSA-N -1 0 311.337 -0.173 20 0 DBADRM CN1C(=O)CN([N-]S(=O)(=O)c2cn3c(n2)CCCC3)C1=O ZINC001254982159 834603627 /nfs/dbraw/zinc/60/36/27/834603627.db2.gz VIIPNJWUGSUIRE-UHFFFAOYSA-N -1 0 313.339 -0.693 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)nc1 ZINC001254971669 834603968 /nfs/dbraw/zinc/60/39/68/834603968.db2.gz PSCCVDVBNHSMCV-UHFFFAOYSA-N -1 0 315.351 -0.333 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1cccnc1-n1cccn1 ZINC001255994787 834617730 /nfs/dbraw/zinc/61/77/30/834617730.db2.gz LGJNGNTXVVSCGO-UHFFFAOYSA-N -1 0 304.310 -0.256 20 0 DBADRM COc1ncccc1S(=O)(=O)[N-]c1cnn(C)c1C(N)=O ZINC001194677101 834617939 /nfs/dbraw/zinc/61/79/39/834617939.db2.gz ZXZFUJOANINALJ-UHFFFAOYSA-N -1 0 311.323 -0.277 20 0 DBADRM COc1ncccc1S(=O)(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001194728304 834624953 /nfs/dbraw/zinc/62/49/53/834624953.db2.gz GJPJPACTNZRVII-MRVPVSSYSA-N -1 0 303.321 -0.322 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001194754032 834629041 /nfs/dbraw/zinc/62/90/41/834629041.db2.gz ANJSTRLAHFUAPM-VIFPVBQESA-N -1 0 310.358 -0.931 20 0 DBADRM O=C(CCC(F)F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001194760382 834630850 /nfs/dbraw/zinc/63/08/50/834630850.db2.gz OCYUWPSVUPSGNI-RNFRBKRXSA-N -1 0 305.285 -0.783 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001256639476 834632437 /nfs/dbraw/zinc/63/24/37/834632437.db2.gz SWUKYDAOAXRKJA-QMMMGPOBSA-N -1 0 313.325 -0.104 20 0 DBADRM CC(C)N1C[C@H](NC(=O)C(=O)[N-]OC[C@H]2CCOC2)CC1=O ZINC001257797061 834664415 /nfs/dbraw/zinc/66/44/15/834664415.db2.gz KALFUGOOUWYCBJ-WDEREUQCSA-N -1 0 313.354 -0.804 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)NC1CC(CO)(CO)C1 ZINC001258457634 834684000 /nfs/dbraw/zinc/68/40/00/834684000.db2.gz BHJJDKIADZHWBS-UHFFFAOYSA-N -1 0 323.802 -0.206 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CCNC(=O)C1 ZINC001258452664 834684006 /nfs/dbraw/zinc/68/40/06/834684006.db2.gz LPOXLTBEJSPONZ-ZETCQYMHSA-N -1 0 306.775 -0.061 20 0 DBADRM COC(=O)c1sccc1S(=O)(=O)NCS(=O)(=O)[O-] ZINC001259014662 834692410 /nfs/dbraw/zinc/69/24/10/834692410.db2.gz VHOGWZADJNVHDK-UHFFFAOYSA-N -1 0 315.350 -0.342 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1nc(Cl)cnc1C(=O)OC ZINC001259018240 834692592 /nfs/dbraw/zinc/69/25/92/834692592.db2.gz AQJKKNJPNUATLV-UHFFFAOYSA-N -1 0 323.714 -0.169 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cc(N2CCOCC2)ncn1 ZINC001259017886 834692776 /nfs/dbraw/zinc/69/27/76/834692776.db2.gz IFXCRKVSYQHSED-UHFFFAOYSA-N -1 0 316.339 -0.772 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1nc(Cl)nc2c1ncn2C ZINC001259020661 834693641 /nfs/dbraw/zinc/69/36/41/834693641.db2.gz ZHLLTLBSLQDPFL-UHFFFAOYSA-N -1 0 319.730 -0.069 20 0 DBADRM COC(=O)CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccccn1 ZINC001259029637 834696381 /nfs/dbraw/zinc/69/63/81/834696381.db2.gz ZYXQUYRFHVZAMJ-JTQLQIEISA-N -1 0 302.308 -0.612 20 0 DBADRM O=S(=O)([N-][C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1c(F)cccc1F ZINC001259070636 834698481 /nfs/dbraw/zinc/69/84/81/834698481.db2.gz VHZDWIGZFQHBDO-JBRWXDEYSA-N -1 0 323.317 -0.654 20 0 DBADRM COC(=O)[C@@H](CC(N)=O)[N-]S(=O)(=O)c1c(F)cccc1F ZINC001259072215 834699029 /nfs/dbraw/zinc/69/90/29/834699029.db2.gz IXCAMEQNGJEIIB-MRVPVSSYSA-N -1 0 322.289 -0.340 20 0 DBADRM COC(=O)[C@@H](CC(N)=O)NS(=O)(=O)CC1CCCCC1 ZINC001259623081 834705367 /nfs/dbraw/zinc/70/53/67/834705367.db2.gz VUMPTVVIBLAWFE-SNVBAGLBSA-N -1 0 306.384 -0.097 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2cnc(N3CCOCC3)nc2)cn1 ZINC001259820868 834707439 /nfs/dbraw/zinc/70/74/39/834707439.db2.gz UYBKYGXTAJMIHM-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM CCOC(=O)c1ccncc1S(=O)(=O)NCS(=O)(=O)[O-] ZINC001195654370 834713612 /nfs/dbraw/zinc/71/36/12/834713612.db2.gz JKTAABKHAJKLIW-UHFFFAOYSA-N -1 0 324.336 -0.618 20 0 DBADRM CC(C)(C)OC(=O)[C@H](CC(N)=O)[N-]S(=O)(=O)C(F)F ZINC001259960432 834717967 /nfs/dbraw/zinc/71/79/67/834717967.db2.gz TZDOUYFHYUNCKO-YFKPBYRVSA-N -1 0 302.299 -0.286 20 0 DBADRM COCCS(=O)(=O)[N-]c1cc(N2CCN(C)CC2)ncn1 ZINC001259965652 834718634 /nfs/dbraw/zinc/71/86/34/834718634.db2.gz FPOYEZQVXCAWHQ-UHFFFAOYSA-N -1 0 315.399 -0.384 20 0 DBADRM C[C@@]1(O)C[C@H]([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)C1 ZINC001260178834 834730189 /nfs/dbraw/zinc/73/01/89/834730189.db2.gz RMPOTJLRNLKEAU-XGAOUMNUSA-N -1 0 317.758 -0.031 20 0 DBADRM CS(=O)(=O)C1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001260187467 834730237 /nfs/dbraw/zinc/73/02/37/834730237.db2.gz QUALEKUHGVHBLH-UHFFFAOYSA-N -1 0 319.360 -0.198 20 0 DBADRM O=S(=O)([N-]C[C@H]1CCO1)c1nc2nc(Cl)ccn2n1 ZINC001260178295 834730717 /nfs/dbraw/zinc/73/07/17/834730717.db2.gz BIRFFSHDJKGIJS-ZCFIWIBFSA-N -1 0 303.731 -0.155 20 0 DBADRM CCOC(=O)[C@H](CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260193097 834731637 /nfs/dbraw/zinc/73/16/37/834731637.db2.gz RRKVIXZHEQRDEM-JTQLQIEISA-N -1 0 317.319 -0.413 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCNC(=O)C2)ccc1O ZINC001260402205 834733565 /nfs/dbraw/zinc/73/35/65/834733565.db2.gz YYTLVRWIPCMCFD-ZETCQYMHSA-N -1 0 314.319 -0.353 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)ccc1O ZINC001260401618 834733599 /nfs/dbraw/zinc/73/35/99/834733599.db2.gz UMTRAYIEHLNQST-MWLCHTKSSA-N -1 0 317.319 -0.482 20 0 DBADRM O=[P@@]([O-])(O)CCNS(=O)(=O)c1cccc2nonc21 ZINC001260443671 834734697 /nfs/dbraw/zinc/73/46/97/834734697.db2.gz XHSNCMSVNLJLAW-UHFFFAOYSA-N -1 0 307.224 -0.321 20 0 DBADRM Cn1nc([N-]S(=O)(=O)CS(C)(=O)=O)c2cccnc21 ZINC001260584339 834736446 /nfs/dbraw/zinc/73/64/46/834736446.db2.gz WYWSALNVAYKGAZ-UHFFFAOYSA-N -1 0 304.353 -0.288 20 0 DBADRM COc1ncnc(OC)c1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260583849 834736503 /nfs/dbraw/zinc/73/65/03/834736503.db2.gz MQCPXMOIJUPOMR-UHFFFAOYSA-N -1 0 311.341 -0.762 20 0 DBADRM COc1nc(Cl)cc([N-]S(=O)(=O)CS(C)(=O)=O)n1 ZINC001260583491 834736975 /nfs/dbraw/zinc/73/69/75/834736975.db2.gz GHOVEQSEKHDPRK-UHFFFAOYSA-N -1 0 315.760 -0.118 20 0 DBADRM COc1cnc(Cl)c([N-]S(=O)(=O)CS(C)(=O)=O)n1 ZINC001260585240 834737219 /nfs/dbraw/zinc/73/72/19/834737219.db2.gz VIFZLJPCYLDGGO-UHFFFAOYSA-N -1 0 315.760 -0.118 20 0 DBADRM COC(=O)c1ncc([N-]S(=O)(=O)CS(C)(=O)=O)cn1 ZINC001260584544 834737477 /nfs/dbraw/zinc/73/74/77/834737477.db2.gz LTUWBVPEDBFSTO-UHFFFAOYSA-N -1 0 309.325 -0.993 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cc(N(C)CCO)ncn1 ZINC001195938818 834737516 /nfs/dbraw/zinc/73/75/16/834737516.db2.gz DMEJLOGSMMZFAB-UHFFFAOYSA-N -1 0 318.355 -0.790 20 0 DBADRM COC(=O)c1onc(C)c1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260584687 834737640 /nfs/dbraw/zinc/73/76/40/834737640.db2.gz SUEHQFXGZOBEIC-UHFFFAOYSA-N -1 0 312.325 -0.487 20 0 DBADRM CCOC(=O)c1ncc([N-]S(=O)(=O)CS(C)(=O)=O)cn1 ZINC001260585276 834737835 /nfs/dbraw/zinc/73/78/35/834737835.db2.gz XCOJNKUMNAQEFJ-UHFFFAOYSA-N -1 0 323.352 -0.603 20 0 DBADRM COc1ccc(C(N)=O)c([N-]S(=O)(=O)CS(C)(=O)=O)c1 ZINC001260592484 834740448 /nfs/dbraw/zinc/74/04/48/834740448.db2.gz KBYMGAJHIMDGIJ-UHFFFAOYSA-N -1 0 322.364 -0.462 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)Nc1cccc(CC(N)=O)c1 ZINC001260591664 834740477 /nfs/dbraw/zinc/74/04/77/834740477.db2.gz FNVPZFFSBSOQJX-UHFFFAOYSA-N -1 0 306.365 -0.542 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1cccc2c1C(=O)NCC2 ZINC001260592608 834740845 /nfs/dbraw/zinc/74/08/45/834740845.db2.gz MVLWOSLBUIRHOX-UHFFFAOYSA-N -1 0 318.376 -0.284 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1c(F)cccc1C(N)=O ZINC001260593474 834741544 /nfs/dbraw/zinc/74/15/44/834741544.db2.gz OIUCREGOOLVYTA-UHFFFAOYSA-N -1 0 310.328 -0.332 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NC(C)(C)C(N)=O)s1 ZINC001260709553 834745560 /nfs/dbraw/zinc/74/55/60/834745560.db2.gz MOBRJDASOHMYFO-UHFFFAOYSA-N -1 0 306.369 -0.356 20 0 DBADRM O=S(=O)([N-]c1cncc(N2CCOCC2)n1)c1cn[nH]c1 ZINC001260953953 834747147 /nfs/dbraw/zinc/74/71/47/834747147.db2.gz AYTHNHGJOSEWLX-UHFFFAOYSA-N -1 0 310.339 -0.163 20 0 DBADRM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cn[nH]c1)c1cnccn1 ZINC001260965497 834748623 /nfs/dbraw/zinc/74/86/23/834748623.db2.gz QFIIBOHBJCKWKU-JTQLQIEISA-N -1 0 311.323 -0.218 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001261140052 834758283 /nfs/dbraw/zinc/75/82/83/834758283.db2.gz GYHNTPKIVQDIJX-JTQLQIEISA-N -1 0 315.370 -0.651 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)C(=O)[N-]OCC(C)C)C1 ZINC001261156607 834760971 /nfs/dbraw/zinc/76/09/71/834760971.db2.gz PQZMHARDIATXFL-SNVBAGLBSA-N -1 0 300.359 -0.390 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C(C)(F)F ZINC001196260045 834772867 /nfs/dbraw/zinc/77/28/67/834772867.db2.gz MOGJBAGEVOFHDS-BWZBUEFSSA-N -1 0 319.312 -0.537 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCCN(CCF)CC1 ZINC001196365814 834781362 /nfs/dbraw/zinc/78/13/62/834781362.db2.gz HKPNOOYXEPBBNB-UHFFFAOYSA-N -1 0 315.349 -0.027 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1cc(Cl)ncc1[O-] ZINC001196399417 834784104 /nfs/dbraw/zinc/78/41/04/834784104.db2.gz DLHGFOOHVFJETP-UHFFFAOYSA-N -1 0 301.686 -0.540 20 0 DBADRM Cc1nc(C(=O)NC(=N)SCCS(=O)(=O)[O-])c[nH]c1=O ZINC001196522134 834791740 /nfs/dbraw/zinc/79/17/40/834791740.db2.gz GUQIBQZDBGSOAJ-UHFFFAOYSA-N -1 0 320.352 -0.636 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C2CC2)nn1 ZINC001261515210 834797245 /nfs/dbraw/zinc/79/72/45/834797245.db2.gz ZNAUCGFIXWZEMN-UHFFFAOYSA-N -1 0 307.310 -0.524 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC001261525369 834800129 /nfs/dbraw/zinc/80/01/29/834800129.db2.gz BGEOUOXBZUVDOT-QMMMGPOBSA-N -1 0 310.397 -0.909 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC(Cc2ccccc2)C1 ZINC001261542998 834805291 /nfs/dbraw/zinc/80/52/91/834805291.db2.gz AEZJEKHPKRFGKY-UHFFFAOYSA-N -1 0 319.361 -0.129 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccc(C)cn1 ZINC001261543626 834806211 /nfs/dbraw/zinc/80/62/11/834806211.db2.gz SZWBGNQALBSEAA-UHFFFAOYSA-N -1 0 308.338 -0.468 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CO1 ZINC001261630413 834820205 /nfs/dbraw/zinc/82/02/05/834820205.db2.gz MDIOZVASJXGGKW-DTWKUNHWSA-N -1 0 324.337 -0.065 20 0 DBADRM COC(=O)c1cccc(C)c1S(=O)(=O)NCS(=O)(=O)[O-] ZINC001197050346 834831098 /nfs/dbraw/zinc/83/10/98/834831098.db2.gz AHIRICZMIDYRLD-UHFFFAOYSA-N -1 0 323.348 -0.095 20 0 DBADRM NC(=O)C[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(N)=O ZINC001197147742 834838396 /nfs/dbraw/zinc/83/83/96/834838396.db2.gz PBFGMQAJSMZVAL-QMMMGPOBSA-N -1 0 310.335 -0.600 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC001261721372 834839436 /nfs/dbraw/zinc/83/94/36/834839436.db2.gz ZNUUHXBDKATVIP-LBPRGKRZSA-N -1 0 323.296 -0.947 20 0 DBADRM C[C@H](C(=O)[N-]OCCN(C)C)S(=O)(=O)C1CCOCC1 ZINC001261745003 834844535 /nfs/dbraw/zinc/84/45/35/834844535.db2.gz WMAZZERMNYTSSQ-SNVBAGLBSA-N -1 0 308.400 -0.422 20 0 DBADRM C[C@@H](C(=O)[N-]OCCN(C)C)S(=O)(=O)C1CCOCC1 ZINC001261745002 834844642 /nfs/dbraw/zinc/84/46/42/834844642.db2.gz WMAZZERMNYTSSQ-JTQLQIEISA-N -1 0 308.400 -0.422 20 0 DBADRM CCC[C@@H](CC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001197265224 834850642 /nfs/dbraw/zinc/85/06/42/834850642.db2.gz GPOMTBFNSGPTQM-GMTAPVOTSA-N -1 0 311.386 -0.002 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccn(C)c2=O)CC[C@@H]1C(=O)[O-] ZINC001261810292 834851658 /nfs/dbraw/zinc/85/16/58/834851658.db2.gz XNBWYMVFGLIDCN-ZJUUUORDSA-N -1 0 321.333 -0.107 20 0 DBADRM Cc1[nH]c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(C)c1C=O ZINC001261816026 834853166 /nfs/dbraw/zinc/85/31/66/834853166.db2.gz VULVYMBMFQBUED-UHFFFAOYSA-N -1 0 315.351 -0.360 20 0 DBADRM COCCn1cc(C(=O)NC2C(=O)N=CN=C2[O-])cnc1=O ZINC001197698608 834894691 /nfs/dbraw/zinc/89/46/91/834894691.db2.gz GSWBKGOVVIGLHN-UHFFFAOYSA-N -1 0 307.266 -0.657 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCO[C@@H](C(F)F)C1 ZINC001262056406 834899599 /nfs/dbraw/zinc/89/95/99/834899599.db2.gz NYGFXWJESYQJRA-GJMOJQLCSA-N -1 0 306.265 -0.542 20 0 DBADRM NC(=O)CCCCC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001197760809 834901818 /nfs/dbraw/zinc/90/18/18/834901818.db2.gz SCSPAYHFHILYFF-UHFFFAOYSA-N -1 0 324.385 -0.410 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@H](OC)C(=O)[O-])[C@@H](C)C1 ZINC001262158317 834913283 /nfs/dbraw/zinc/91/32/83/834913283.db2.gz FZJDUNXIDLULTM-ONGXEEELSA-N -1 0 302.327 -0.818 20 0 DBADRM CSCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001262174392 834914342 /nfs/dbraw/zinc/91/43/42/834914342.db2.gz RKYLDILPISANCO-UHFFFAOYSA-N -1 0 305.400 -0.222 20 0 DBADRM COCCCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001262174519 834914612 /nfs/dbraw/zinc/91/46/12/834914612.db2.gz XYALGZOGJNPIQA-UHFFFAOYSA-N -1 0 317.386 -0.159 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(Cl)s1 ZINC001262228541 834922377 /nfs/dbraw/zinc/92/23/77/834922377.db2.gz HMCHHPUHGPINRB-UHFFFAOYSA-N -1 0 319.770 -0.146 20 0 DBADRM CCS[C@H]1CCC[C@H](NC(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001262281179 834926795 /nfs/dbraw/zinc/92/67/95/834926795.db2.gz PBJTZSMOYBKULI-UWVGGRQHSA-N -1 0 317.411 -0.039 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCOc2ccccc2[C@H]1C ZINC001262315475 834933323 /nfs/dbraw/zinc/93/33/23/834933323.db2.gz MBZUCAQBJWPZNO-SNVBAGLBSA-N -1 0 321.333 -0.238 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCOc2ccccc2[C@@H]1C ZINC001262315474 834933384 /nfs/dbraw/zinc/93/33/84/834933384.db2.gz MBZUCAQBJWPZNO-JTQLQIEISA-N -1 0 321.333 -0.238 20 0 DBADRM COCCn1nc(C(=O)[N-]OCCCC(=O)OC)ccc1=O ZINC001262346912 834936965 /nfs/dbraw/zinc/93/69/65/834936965.db2.gz KTNUANIXNXCQKI-UHFFFAOYSA-N -1 0 313.310 -0.496 20 0 DBADRM Cc1nn(C)c([N-]S(=O)(=O)c2cnc(C)n2C)c1C(N)=O ZINC001198354221 834939226 /nfs/dbraw/zinc/93/92/26/834939226.db2.gz QKILYERGMBZPSB-UHFFFAOYSA-N -1 0 312.355 -0.330 20 0 DBADRM Cc1ncc(S(=O)(=O)NCCCC[P@@](=O)([O-])O)n1C ZINC001198419274 834945039 /nfs/dbraw/zinc/94/50/39/834945039.db2.gz MYWMDLPBOIEQAT-UHFFFAOYSA-N -1 0 311.300 -0.035 20 0 DBADRM Cn1c2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)cc2n(C)c1=O ZINC001198511595 834951468 /nfs/dbraw/zinc/95/14/68/834951468.db2.gz VKFOCDHUNQLLKA-UHFFFAOYSA-N -1 0 302.294 -0.369 20 0 DBADRM C[C@H]1[C@H](NC(=S)NC2CCCC2)C(=O)N1S(=O)(=O)[O-] ZINC001198567274 834953746 /nfs/dbraw/zinc/95/37/46/834953746.db2.gz SIGHPKRMHIDGHG-XPUUQOCRSA-N -1 0 307.397 -0.205 20 0 DBADRM CCOC(=O)[C@H](CO)NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198792592 834967298 /nfs/dbraw/zinc/96/72/98/834967298.db2.gz RIZYFQMJZVRICU-VIFPVBQESA-N -1 0 317.319 -0.413 20 0 DBADRM COC(=O)C1(NS(=O)(=O)c2ccccc2C(=O)[O-])COC1 ZINC001198797402 834968838 /nfs/dbraw/zinc/96/88/38/834968838.db2.gz HUFXHNUOQUHIAH-UHFFFAOYSA-N -1 0 315.303 -0.395 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)NCCN1C(=O)C=CC1=O ZINC001198797828 834969035 /nfs/dbraw/zinc/96/90/35/834969035.db2.gz NGUXJZJCJSBUIL-UHFFFAOYSA-N -1 0 324.314 -0.412 20 0 DBADRM CO[C@H]1CC[C@H]1N(C)C(=O)NCCOCCOCC(=O)[O-] ZINC001263071692 834970366 /nfs/dbraw/zinc/97/03/66/834970366.db2.gz IOJZBOQENBUOCI-MNOVXSKESA-N -1 0 304.343 -0.077 20 0 DBADRM COCCCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CCOC ZINC001263232715 834977410 /nfs/dbraw/zinc/97/74/10/834977410.db2.gz URWPKOKUMZSSLP-UHFFFAOYSA-N -1 0 310.358 -0.379 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1nccnc1OCC(F)(F)F ZINC001199181551 834995558 /nfs/dbraw/zinc/99/55/58/834995558.db2.gz MXNUIGPPSJQBJD-UHFFFAOYSA-N -1 0 315.229 -0.007 20 0 DBADRM COCCOc1ccnc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)n1 ZINC001199193247 834997015 /nfs/dbraw/zinc/99/70/15/834997015.db2.gz SHAJBXWOGKMCKX-SNVBAGLBSA-N -1 0 312.307 -0.459 20 0 DBADRM COc1cc(C(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001264986713 835061123 /nfs/dbraw/zinc/06/11/23/835061123.db2.gz VCLLQZSLBJQBAN-UHFFFAOYSA-N -1 0 321.341 -0.439 20 0 DBADRM Cc1ccnc(F)c1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001199717891 835048673 /nfs/dbraw/zinc/04/86/73/835048673.db2.gz DZYIFWGJKKMEDP-XPUUQOCRSA-N -1 0 317.298 -0.339 20 0 DBADRM Cc1c(CC(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001264995121 835066508 /nfs/dbraw/zinc/06/65/08/835066508.db2.gz UYZAWEHHNWWITG-UHFFFAOYSA-N -1 0 321.385 -0.267 20 0 DBADRM COc1nc(C(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)co1 ZINC001265016553 835075353 /nfs/dbraw/zinc/07/53/53/835075353.db2.gz ARBLLSYHIRCCLX-UHFFFAOYSA-N -1 0 310.314 -0.241 20 0 DBADRM CC[C@H](C)CNC(=S)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001200271232 835112142 /nfs/dbraw/zinc/11/21/42/835112142.db2.gz IRDKJBBEDFITDR-FXQIFTODSA-N -1 0 309.413 -0.101 20 0 DBADRM COC(=O)c1ccc(CS(=O)(=O)[N-]c2nnnn2C)cc1 ZINC001201081753 835166984 /nfs/dbraw/zinc/16/69/84/835166984.db2.gz MXZIRWBEZSOHLI-UHFFFAOYSA-N -1 0 311.323 -0.061 20 0 DBADRM Cc1nn(C)cc1CC(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001265865006 835188022 /nfs/dbraw/zinc/18/80/22/835188022.db2.gz TZNXIKNRFYXBQK-UHFFFAOYSA-N -1 0 321.385 -0.267 20 0 DBADRM CN(CCCNC(=O)c1cccn(C)c1=O)Cc1n[nH]c(=O)[n-]1 ZINC001265954351 835206857 /nfs/dbraw/zinc/20/68/57/835206857.db2.gz OESRICNKFZXEQA-UHFFFAOYSA-N -1 0 320.353 -0.539 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]c1cn(C)nc1C(=O)OC ZINC001201904981 835217289 /nfs/dbraw/zinc/21/72/89/835217289.db2.gz BXOQZSPYGLPQIZ-UHFFFAOYSA-N -1 0 319.339 -0.098 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]c1nccnc1C(=O)OC ZINC001201904268 835217675 /nfs/dbraw/zinc/21/76/75/835217675.db2.gz ZEBWEKWXBZVQMS-UHFFFAOYSA-N -1 0 317.323 -0.042 20 0 DBADRM CC(C)(CO)CO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001205795386 835359948 /nfs/dbraw/zinc/35/99/48/835359948.db2.gz MZZWFLIWROEMAJ-NSHDSACASA-N -1 0 311.400 -0.390 20 0 DBADRM CC(C)=CCN1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001267651308 835551649 /nfs/dbraw/zinc/55/16/49/835551649.db2.gz KOXFJPKOVYEBFO-UHFFFAOYSA-N -1 0 307.354 -0.018 20 0 DBADRM CCOCCN1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001268332675 835669877 /nfs/dbraw/zinc/66/98/77/835669877.db2.gz SGZVVCIYDBFIKX-UHFFFAOYSA-N -1 0 311.342 -0.948 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)c1cn2c(n1)CCC2 ZINC001268539459 835722810 /nfs/dbraw/zinc/72/28/10/835722810.db2.gz UBSISQAQDZOCHZ-OWOJBTEDSA-N -1 0 317.353 -0.271 20 0 DBADRM Cc1cc(CNC/C=C\CNC(=O)Cn2c(=O)[n-][nH]c2=O)on1 ZINC001268619452 835756124 /nfs/dbraw/zinc/75/61/24/835756124.db2.gz RWBKODAYQBDSQL-IHWYPQMZSA-N -1 0 322.325 -0.552 20 0 DBADRM Cc1ccc(CNC(=O)CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000321890501 970821224 /nfs/dbraw/zinc/82/12/24/970821224.db2.gz RVLVCHHNGNNVAY-ZDUSSCGKSA-N -1 0 319.361 -0.114 20 0 DBADRM NC(=O)Nc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000322035116 970838902 /nfs/dbraw/zinc/83/89/02/970838902.db2.gz UIAKGCYIFZFUPP-SNVBAGLBSA-N -1 0 320.305 -0.408 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1COC[C@@H]1O ZINC000323554792 971015046 /nfs/dbraw/zinc/01/50/46/971015046.db2.gz HRUFBESLSBMQIH-BDAKNGLRSA-N -1 0 317.319 -0.569 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001601853622 971081142 /nfs/dbraw/zinc/08/11/42/971081142.db2.gz DNCVBKCODAACBW-MFKMUULPSA-N -1 0 316.379 -0.818 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001573496703 946328549 /nfs/dbraw/zinc/32/85/49/946328549.db2.gz APDNIAANPBFKOL-JTQLQIEISA-N -1 0 316.321 -0.077 20 0 DBADRM CC(C)(C)C[C@@H](CO)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824079298 946577408 /nfs/dbraw/zinc/57/74/08/946577408.db2.gz OFDDYSYMWFWYBJ-QMMMGPOBSA-N -1 0 308.346 -0.629 20 0 DBADRM CC(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CCOCC1 ZINC001573530572 946699168 /nfs/dbraw/zinc/69/91/68/946699168.db2.gz VYCOPKOPSVEMTC-UHFFFAOYSA-N -1 0 318.341 -0.824 20 0 DBADRM C[C@@H](C(=O)N(C)[C@@H]1CCC[C@H]1O)n1cnc(-c2nnn[n-]2)n1 ZINC001573604755 947515762 /nfs/dbraw/zinc/51/57/62/947515762.db2.gz QZDHELMETPKAEW-DJLDLDEBSA-N -1 0 306.330 -0.609 20 0 DBADRM C[C@H](C(=O)N1Cc2cnn(C)c2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573650278 947908320 /nfs/dbraw/zinc/90/83/20/947908320.db2.gz AJIMHIZTWKOMBC-SSDOTTSWSA-N -1 0 314.313 -0.705 20 0 DBADRM C[C@H]1CCC[C@@]1(O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000328062941 971443948 /nfs/dbraw/zinc/44/39/48/971443948.db2.gz BXXAFGOMSZJECR-JOYOIKCWSA-N -1 0 317.367 -0.203 20 0 DBADRM CC1(C)OCC[C@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000328203427 971454722 /nfs/dbraw/zinc/45/47/22/971454722.db2.gz GYAUBZVQOKQKAY-SECBINFHSA-N -1 0 303.340 -0.187 20 0 DBADRM C[C@H](C(=O)NCC[C@@H](O)C(F)F)n1cnc(-c2nnn[n-]2)n1 ZINC001573705241 948395011 /nfs/dbraw/zinc/39/50/11/948395011.db2.gz DPTRZNVBBFXPFQ-PHDIDXHHSA-N -1 0 316.272 -0.849 20 0 DBADRM C[C@@H](C(=O)NCC[C@@H](O)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001573708051 948441269 /nfs/dbraw/zinc/44/12/69/948441269.db2.gz QQRRMQSXVCYOOQ-IONNQARKSA-N -1 0 306.330 -0.704 20 0 DBADRM O=C(Nc1c[nH]nc1-c1nnn[n-]1)[C@@]1(F)CCS(=O)(=O)C1 ZINC001570918810 948579064 /nfs/dbraw/zinc/57/90/64/948579064.db2.gz KYHREJUWKPJBOJ-SECBINFHSA-N -1 0 315.290 -0.945 20 0 DBADRM CCN1C[C@H](C(=O)NCc2ccnc(-c3nn[nH]n3)c2)CC1=O ZINC001570919231 948586220 /nfs/dbraw/zinc/58/62/20/948586220.db2.gz PTAOTTKRCUQQPW-SNVBAGLBSA-N -1 0 315.337 -0.254 20 0 DBADRM Cc1cc(C(=O)Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)c(C)[nH]1 ZINC001570919494 948589702 /nfs/dbraw/zinc/58/97/02/948589702.db2.gz VZIKAMCAZPUCGD-UHFFFAOYSA-N -1 0 315.293 -0.043 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)s2)n1 ZINC001570920355 948597737 /nfs/dbraw/zinc/59/77/37/948597737.db2.gz KZSSHAGOMGRWJJ-UHFFFAOYSA-N -1 0 313.328 -0.748 20 0 DBADRM Cn1c(=O)[nH]c(NC(C)(C)c2ncc[nH]2)c(-c2nnn[n-]2)c1=O ZINC001570920755 948607386 /nfs/dbraw/zinc/60/73/86/948607386.db2.gz BGSMZJBQOHVNSI-UHFFFAOYSA-N -1 0 317.313 -0.264 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N(C)[C@@H]1CCNC1=O ZINC001570920932 948610724 /nfs/dbraw/zinc/61/07/24/948610724.db2.gz HLVGEZJMAHGZEY-MRVPVSSYSA-N -1 0 317.309 -0.764 20 0 DBADRM CC(C)C(=O)N1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001570921245 948617461 /nfs/dbraw/zinc/61/74/61/948617461.db2.gz SFCZEZGYNOGRBX-UWVGGRQHSA-N -1 0 316.369 -0.007 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@@H](O)c2ccco2)c(-c2nnn[n-]2)c1=O ZINC001570921817 948627905 /nfs/dbraw/zinc/62/79/05/948627905.db2.gz PKVPZOLZCNVXEB-ZCFIWIBFSA-N -1 0 319.281 -0.596 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@H](O)c2ccco2)c(-c2nnn[n-]2)c1=O ZINC001570921816 948628736 /nfs/dbraw/zinc/62/87/36/948628736.db2.gz PKVPZOLZCNVXEB-LURJTMIESA-N -1 0 319.281 -0.596 20 0 DBADRM C[C@H](CCO)CCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001570922323 948638587 /nfs/dbraw/zinc/63/85/87/948638587.db2.gz FTDBPSSRUXBOTH-VIFPVBQESA-N -1 0 323.361 -0.834 20 0 DBADRM CC1(C)C[C@H]1C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001570922412 948642575 /nfs/dbraw/zinc/64/25/75/948642575.db2.gz ZOLGZXMRBGAIDS-QMMMGPOBSA-N -1 0 319.325 -0.709 20 0 DBADRM CS(=O)(=O)CCCn1c2c(cc(-c3nnn[n-]3)c1=O)CCC2 ZINC001570923311 948660699 /nfs/dbraw/zinc/66/06/99/948660699.db2.gz WENFSALNPLKGSB-UHFFFAOYSA-N -1 0 323.378 -0.048 20 0 DBADRM C[C@H](C(=O)Nc1ncccc1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001573754705 948747136 /nfs/dbraw/zinc/74/71/36/948747136.db2.gz IQWIIWHTUNOFJJ-SSDOTTSWSA-N -1 0 315.297 -0.455 20 0 DBADRM CC(C)[C@@H](F)C(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574079141 948762521 /nfs/dbraw/zinc/76/25/21/948762521.db2.gz ASRNOUYCMYNQGO-WCBMZHEXSA-N -1 0 322.348 -0.011 20 0 DBADRM CC[C@H](CNS(=O)(=O)c1cc(C(=O)OC)[nH]n1)C(=O)[O-] ZINC001589554507 948776182 /nfs/dbraw/zinc/77/61/82/948776182.db2.gz MZLDIALSEGVMMB-ZCFIWIBFSA-N -1 0 305.312 -0.415 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCC(C(=O)[O-])CC1 ZINC001589555055 948781595 /nfs/dbraw/zinc/78/15/95/948781595.db2.gz DQQOHPBNDVLUMQ-SNVBAGLBSA-N -1 0 321.399 -0.180 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001589555196 948784117 /nfs/dbraw/zinc/78/41/17/948784117.db2.gz LDNQUGVNANPSNZ-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@H](C(=O)Nc1cc(CO)ccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001573756360 948809494 /nfs/dbraw/zinc/80/94/94/948809494.db2.gz PEPJCIWOMVAYKZ-SSDOTTSWSA-N -1 0 315.297 -0.455 20 0 DBADRM CC[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccncc1 ZINC001589561729 948821026 /nfs/dbraw/zinc/82/10/26/948821026.db2.gz DZHUIVYZLSDFNV-VXGBXAGGSA-N -1 0 321.333 -0.039 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCC[C@@H](CO)C2)CC1 ZINC000037656896 948840000 /nfs/dbraw/zinc/84/00/00/948840000.db2.gz WBOMBQUEUVLGNJ-SNVBAGLBSA-N -1 0 306.384 -0.268 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@H]2COCCO2)CC1 ZINC000038061247 948851451 /nfs/dbraw/zinc/85/14/51/948851451.db2.gz YEUGPASOGBEDSP-JTQLQIEISA-N -1 0 308.356 -0.967 20 0 DBADRM COC(=O)[C@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)C ZINC001570932613 948857409 /nfs/dbraw/zinc/85/74/09/948857409.db2.gz UPKJMACGWJCFES-HTQZYQBOSA-N -1 0 322.329 -0.667 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000040817934 948857920 /nfs/dbraw/zinc/85/79/20/948857920.db2.gz VCWHONCNTSOELR-ZCFIWIBFSA-N -1 0 306.278 -0.709 20 0 DBADRM CN(C)C(=O)CN(CC(F)(F)F)C(=O)COCC(=O)[O-] ZINC000041073452 948862864 /nfs/dbraw/zinc/86/28/64/948862864.db2.gz RDKDBBNZVMUFPY-UHFFFAOYSA-N -1 0 300.233 -0.433 20 0 DBADRM NS(=O)(=O)CCCNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000045090768 948901281 /nfs/dbraw/zinc/90/12/81/948901281.db2.gz ZKDSLFMJMSVEST-UHFFFAOYSA-N -1 0 315.351 -0.137 20 0 DBADRM CC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC001589575830 948949192 /nfs/dbraw/zinc/94/91/92/948949192.db2.gz MSHOBEBQPVNBQF-IONNQARKSA-N -1 0 319.339 -0.507 20 0 DBADRM CC1(C(=O)[O-])CCN(S(=O)(=O)CCS(C)(=O)=O)CC1 ZINC000063142761 948972580 /nfs/dbraw/zinc/97/25/80/948972580.db2.gz VVTVDUKABFVITQ-UHFFFAOYSA-N -1 0 313.397 -0.453 20 0 DBADRM CC[C@@H](OC(=O)CN1CCC[C@@H](C(=O)OC)C1=O)C(=O)[O-] ZINC001589579104 948998988 /nfs/dbraw/zinc/99/89/88/948998988.db2.gz VCIFDPAATXFYNS-RKDXNWHRSA-N -1 0 301.295 -0.196 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCC2(O)CCCC2)CC1 ZINC000087015063 949069462 /nfs/dbraw/zinc/06/94/62/949069462.db2.gz SJUPIUPZCVSVFI-UHFFFAOYSA-N -1 0 306.384 -0.078 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC001589589416 949070780 /nfs/dbraw/zinc/07/07/80/949070780.db2.gz ALKSZEQKAPOQHX-BLTAXRJOSA-N -1 0 313.350 -0.497 20 0 DBADRM Cc1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc1C(N)=O ZINC000090276738 949119733 /nfs/dbraw/zinc/11/97/33/949119733.db2.gz ZSGVYNYLGHDWLK-LBPRGKRZSA-N -1 0 316.335 -0.792 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)NC[C@](C)(O)C(=O)[O-])s1 ZINC000090276160 949120862 /nfs/dbraw/zinc/12/08/62/949120862.db2.gz WQILLWYQLPAABH-LBPRGKRZSA-N -1 0 300.336 -0.262 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1ccn(C)n1 ZINC001575251047 949126932 /nfs/dbraw/zinc/12/69/32/949126932.db2.gz KMMMDUCQNBENMA-SFYZADRCSA-N -1 0 316.329 -0.370 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)c1ccnn1C ZINC001575255180 949225085 /nfs/dbraw/zinc/22/50/85/949225085.db2.gz YLCKMVNHNOTLPL-HTQZYQBOSA-N -1 0 316.329 -0.370 20 0 DBADRM O=C(C[C@H]1CCS(=O)(=O)C1)NC1(C(=O)[O-])CCOCC1 ZINC000131755036 949291824 /nfs/dbraw/zinc/29/18/24/949291824.db2.gz KXEKEAYZKKQNPM-SECBINFHSA-N -1 0 305.352 -0.439 20 0 DBADRM CC[C@@]1(C)NC(=O)N(NC(=O)c2cc(C(=O)[O-])nn2C)C1=O ZINC001589611130 949324574 /nfs/dbraw/zinc/32/45/74/949324574.db2.gz XFJQNOFIFPLCEM-GFCCVEGCSA-N -1 0 309.282 -0.516 20 0 DBADRM CC[C@@]1(O)CCCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC001589612987 949343061 /nfs/dbraw/zinc/34/30/61/949343061.db2.gz DMKORQRUONITJC-QMTHXVAHSA-N -1 0 300.355 -0.071 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)C(=O)N(CCOC)CCC(=O)[O-])C1 ZINC001589613829 949351571 /nfs/dbraw/zinc/35/15/71/949351571.db2.gz XNGOYXYWHXABMY-CQSZACIVSA-N -1 0 316.354 -0.691 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)N(OC)[C@@H](C)C(=O)[O-])C1=O ZINC001589614887 949354171 /nfs/dbraw/zinc/35/41/71/949354171.db2.gz AXVMQWGFGMWVAQ-QMMMGPOBSA-N -1 0 315.326 -0.040 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC000378732588 971576191 /nfs/dbraw/zinc/57/61/91/971576191.db2.gz XPAJKADYXWCYNO-SCZZXKLOSA-N -1 0 309.326 -0.688 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000166172206 949442661 /nfs/dbraw/zinc/44/26/61/949442661.db2.gz BKVBKNMJKVIBQS-UHFFFAOYSA-N -1 0 322.383 -0.446 20 0 DBADRM CCCNC(=O)CNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000166128152 949442972 /nfs/dbraw/zinc/44/29/72/949442972.db2.gz JEDDMDOSFGGPQL-UHFFFAOYSA-N -1 0 301.343 -0.307 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001589624365 949456337 /nfs/dbraw/zinc/45/63/37/949456337.db2.gz HFNJWVYPBOAFJJ-VIFPVBQESA-N -1 0 310.310 -0.456 20 0 DBADRM O=C([O-])c1cccc(CN2CCN3[C@@H](CNS3(=O)=O)C2)c1 ZINC001595243369 949489061 /nfs/dbraw/zinc/48/90/61/949489061.db2.gz RDXKQDUQZANWNJ-LBPRGKRZSA-N -1 0 311.363 -0.281 20 0 DBADRM CCC[C@H](CCO)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589632311 949563869 /nfs/dbraw/zinc/56/38/69/949563869.db2.gz PIQNOORICVHDOE-SNVBAGLBSA-N -1 0 321.395 -0.067 20 0 DBADRM CCC[C@@](C)(O)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589634589 949597298 /nfs/dbraw/zinc/59/72/98/949597298.db2.gz PVYVEHCRZKPHEK-GFCCVEGCSA-N -1 0 321.395 -0.067 20 0 DBADRM CCC[C@H](O)CNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589634696 949599375 /nfs/dbraw/zinc/59/93/75/949599375.db2.gz WARZLBJYJLPRDG-WDEREUQCSA-N -1 0 315.370 -0.088 20 0 DBADRM CCC[C@]1(CO)CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001589635671 949621570 /nfs/dbraw/zinc/62/15/70/949621570.db2.gz YKBGLVJSHKGRAG-ABAIWWIYSA-N -1 0 312.366 -0.069 20 0 DBADRM CCC[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001589639416 949659778 /nfs/dbraw/zinc/65/97/78/949659778.db2.gz WUVMXMQPGLCTGW-JTQLQIEISA-N -1 0 324.337 -0.066 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000231019794 949746778 /nfs/dbraw/zinc/74/67/78/949746778.db2.gz BUKNRFHBXNFKFU-BDAKNGLRSA-N -1 0 307.372 -0.522 20 0 DBADRM CC(C)[C@@H](O)C(=O)NC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574963614 949755712 /nfs/dbraw/zinc/75/57/12/949755712.db2.gz KANWGTKJXWMHQH-PSASIEDQSA-N -1 0 320.357 -0.988 20 0 DBADRM O=C([O-])c1cnc(C(=O)N[C@@H](CO)Cc2ccncc2)cn1 ZINC001595267110 949761909 /nfs/dbraw/zinc/76/19/09/949761909.db2.gz ALJLTEJFFMFILS-SNVBAGLBSA-N -1 0 302.290 -0.097 20 0 DBADRM O=C([O-])c1cnc(C(=O)N[C@@H]2C(=O)NCC23CCOCC3)cn1 ZINC001595267847 949776451 /nfs/dbraw/zinc/77/64/51/949776451.db2.gz LOHLJKHSTJDUKE-SNVBAGLBSA-N -1 0 320.305 -0.800 20 0 DBADRM O=C([O-])c1cnc(C(=O)NC[C@H]2CCCCS2(=O)=O)cn1 ZINC001595268153 949785570 /nfs/dbraw/zinc/78/55/70/949785570.db2.gz PYEOSTJJGXONDE-MRVPVSSYSA-N -1 0 313.335 -0.128 20 0 DBADRM CCCN(C(=O)c1cnc(C(=O)[O-])cn1)[C@@H]1CC(=O)N(C)C1=O ZINC001589659515 949849433 /nfs/dbraw/zinc/84/94/33/949849433.db2.gz QDBUJJXILPJWIL-SNVBAGLBSA-N -1 0 320.305 -0.216 20 0 DBADRM CCCN1C[C@H](Cn2nnnc2N2CC[C@H](C(=O)[O-])C2)CC1=O ZINC001589673558 949957886 /nfs/dbraw/zinc/95/78/86/949957886.db2.gz LELOFUYJOKBLNX-MNOVXSKESA-N -1 0 322.369 -0.158 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1cnc3[nH]c(=O)[nH]c3c1)C2 ZINC001595279774 949963153 /nfs/dbraw/zinc/96/31/53/949963153.db2.gz BEMFHLWJZHWEIL-XLKFXECMSA-N -1 0 318.289 -0.163 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C3CC(=O)C3)CC2)C1 ZINC001595279971 949966638 /nfs/dbraw/zinc/96/66/38/949966638.db2.gz GMPIRTOMBQXPIB-JTQLQIEISA-N -1 0 308.334 -0.110 20 0 DBADRM CCCN(CCO)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001589674446 949977310 /nfs/dbraw/zinc/97/73/10/949977310.db2.gz XDWOVOUMXNKDDK-QWRGUYRKSA-N -1 0 300.355 -0.214 20 0 DBADRM CCCN(CCO)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001589674445 949977517 /nfs/dbraw/zinc/97/75/17/949977517.db2.gz XDWOVOUMXNKDDK-MNOVXSKESA-N -1 0 300.355 -0.214 20 0 DBADRM CCCN(CCO)C(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001589674438 949979227 /nfs/dbraw/zinc/97/92/27/949979227.db2.gz WLYJRVXKEIFHFE-CQSZACIVSA-N -1 0 316.354 -0.833 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC3(CNC(=O)C3)CC2)CCOCC1 ZINC001595282485 949983429 /nfs/dbraw/zinc/98/34/29/949983429.db2.gz KODCBHRDVOZOAY-UHFFFAOYSA-N -1 0 310.350 -0.004 20 0 DBADRM O=C(C[C@@H]1CCC(=O)NC1)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001595286894 950044733 /nfs/dbraw/zinc/04/47/33/950044733.db2.gz ZRKKWOSQBZEDNQ-QMMMGPOBSA-N -1 0 322.321 -0.034 20 0 DBADRM COCCN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000262057598 950057264 /nfs/dbraw/zinc/05/72/64/950057264.db2.gz IVWGCUBMPNRIFM-GMTAPVOTSA-N -1 0 319.379 -0.241 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)CC=CC1 ZINC001595291396 950070704 /nfs/dbraw/zinc/07/07/04/950070704.db2.gz FSIFQZOKPDLESP-LLVKDONJSA-N -1 0 322.361 -0.103 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC001595291470 950070974 /nfs/dbraw/zinc/07/09/74/950070974.db2.gz GMVFGEAMVOOLAW-GMAGZHIISA-N -1 0 309.322 -0.408 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cn1 ZINC001595293921 950098527 /nfs/dbraw/zinc/09/85/27/950098527.db2.gz XGRRURCXHXOGMG-GHMZBOCLSA-N -1 0 305.290 -0.491 20 0 DBADRM O=C([O-])[C@@H](C(=O)NCc1nnc2n1CCNC2=O)C1CCCC1 ZINC001595295203 950114202 /nfs/dbraw/zinc/11/42/02/950114202.db2.gz XFGDMOPHSQJDBO-SNVBAGLBSA-N -1 0 321.337 -0.471 20 0 DBADRM O=Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])co1 ZINC001595295433 950122774 /nfs/dbraw/zinc/12/27/74/950122774.db2.gz LHTNTLVLVQUDSZ-VIFPVBQESA-N -1 0 301.276 -0.584 20 0 DBADRM O=CN1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001595295532 950125271 /nfs/dbraw/zinc/12/52/71/950125271.db2.gz RIZGUEBADAXYCH-UHFFFAOYSA-N -1 0 319.383 -0.808 20 0 DBADRM O=CN1CCC(OC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001595296002 950138546 /nfs/dbraw/zinc/13/85/46/950138546.db2.gz OYDYZIFJHWDWCA-LLVKDONJSA-N -1 0 312.322 -0.526 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574734804 950144962 /nfs/dbraw/zinc/14/49/62/950144962.db2.gz RRHCGKMCLXCJQC-OPRDCNLKSA-N -1 0 316.369 -0.007 20 0 DBADRM CCCc1noc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001589693625 950147362 /nfs/dbraw/zinc/14/73/62/950147362.db2.gz ZNAASSXABCNVFR-MRVPVSSYSA-N -1 0 303.340 -0.294 20 0 DBADRM CCCc1noc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001589693626 950147186 /nfs/dbraw/zinc/14/71/86/950147186.db2.gz ZNAASSXABCNVFR-QMMMGPOBSA-N -1 0 303.340 -0.294 20 0 DBADRM CCN([C@@H](C)C(=O)[O-])S(=O)(=O)CCNS(=O)(=O)CC ZINC001589713268 950342026 /nfs/dbraw/zinc/34/20/26/950342026.db2.gz KEBQZFIWIBZZTA-QMMMGPOBSA-N -1 0 316.401 -0.950 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589714005 950361386 /nfs/dbraw/zinc/36/13/86/950361386.db2.gz ZLKUAUGWBBBSRV-UHFFFAOYSA-N -1 0 308.294 -0.687 20 0 DBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCC(=O)[O-] ZINC001589719074 950397796 /nfs/dbraw/zinc/39/77/96/950397796.db2.gz QMMQXQZBLAEBPG-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM CCN(CC)C(=O)Cn1nnnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001589720338 950415570 /nfs/dbraw/zinc/41/55/70/950415570.db2.gz UMTBJXMPUPDINW-CYBMUJFWSA-N -1 0 310.358 -0.158 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)ccn1)c1nnn[n-]1 ZINC001574747823 950418715 /nfs/dbraw/zinc/41/87/15/950418715.db2.gz YIFGDLPQRNMXBU-ZETCQYMHSA-N -1 0 314.313 -0.350 20 0 DBADRM CCN(CC)S(=O)(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589725622 950455549 /nfs/dbraw/zinc/45/55/49/950455549.db2.gz KWYOVFHUSDQSTE-JTQLQIEISA-N -1 0 321.399 -0.372 20 0 DBADRM CCN(CCC(=O)NC)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001589730071 950488781 /nfs/dbraw/zinc/48/87/81/950488781.db2.gz LBFDICWQMRJJOE-JTQLQIEISA-N -1 0 313.354 -0.706 20 0 DBADRM CCN(CCCNC(=O)[C@H]1CC(C(=O)[O-])=NO1)S(C)(=O)=O ZINC001589730721 950503978 /nfs/dbraw/zinc/50/39/78/950503978.db2.gz SKLFARBIAUBIDR-SECBINFHSA-N -1 0 321.355 -0.996 20 0 DBADRM CCN(CCOC)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589734102 950516312 /nfs/dbraw/zinc/51/63/12/950516312.db2.gz OPEGIFWHADVXCC-UHFFFAOYSA-N -1 0 307.368 -0.239 20 0 DBADRM CCN(Cc1cn(C)nn1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589739096 950552166 /nfs/dbraw/zinc/55/21/66/950552166.db2.gz CUNLFFVODHCVGG-JTQLQIEISA-N -1 0 317.371 -0.569 20 0 DBADRM CCN(Cc1cn(C)nn1)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001589740516 950581280 /nfs/dbraw/zinc/58/12/80/950581280.db2.gz OWMRMYUXZBNGQB-VIFPVBQESA-N -1 0 309.326 -0.903 20 0 DBADRM CCN(Cc1cn(C)nn1)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001589740586 950584231 /nfs/dbraw/zinc/58/42/31/950584231.db2.gz YRZUXXHRZVHADB-JTQLQIEISA-N -1 0 323.353 -0.513 20 0 DBADRM C[C@H](CNC(=O)c1ccn[nH]1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575005372 950682112 /nfs/dbraw/zinc/68/21/12/950682112.db2.gz CJNDLWQDLPQUHW-SSDOTTSWSA-N -1 0 314.313 -0.968 20 0 DBADRM CCN1OC[C@@H](n2cc(CN3CCC[C@H]3C(=O)[O-])nn2)C1=O ZINC001589882117 950691842 /nfs/dbraw/zinc/69/18/42/950691842.db2.gz IRASBTNZEZGQJT-WDEREUQCSA-N -1 0 309.326 -0.338 20 0 DBADRM CCNC(=O)CC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001589882315 950693885 /nfs/dbraw/zinc/69/38/85/950693885.db2.gz MLGIOXWQZABLEN-GHMZBOCLSA-N -1 0 322.365 -0.037 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001589961847 950741263 /nfs/dbraw/zinc/74/12/63/950741263.db2.gz ACOCFCULQQPXBW-GUBZILKMSA-N -1 0 319.383 -0.427 20 0 DBADRM CCNS(=O)(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001589963050 950747088 /nfs/dbraw/zinc/74/70/88/950747088.db2.gz ZHZNIASXLCKXES-NBBOBHDQSA-N -1 0 320.367 -0.574 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000380309291 971689089 /nfs/dbraw/zinc/68/90/89/971689089.db2.gz HSQAROXDNGPVCW-UHFFFAOYSA-N -1 0 307.372 -0.856 20 0 DBADRM C[C@H]1CN(C(=O)NCCCS(N)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000312578334 950763134 /nfs/dbraw/zinc/76/31/34/950763134.db2.gz SZUGQMMKGULNHC-IUCAKERBSA-N -1 0 307.372 -0.583 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001590057599 950769916 /nfs/dbraw/zinc/76/99/16/950769916.db2.gz GCJPXICAWSBNRT-WEDXCCLWSA-N -1 0 314.338 -0.330 20 0 DBADRM CCOC(=O)[C@H](C)N(C(=O)c1cn(CC(=O)[O-])nn1)C1CC1 ZINC001590058011 950774160 /nfs/dbraw/zinc/77/41/60/950774160.db2.gz KKOWJXJINVLSOV-QMMMGPOBSA-N -1 0 310.310 -0.081 20 0 DBADRM CCOC(=O)[C@@H](C)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001590058830 950780549 /nfs/dbraw/zinc/78/05/49/950780549.db2.gz RHVRODUFFKXSTG-IUCAKERBSA-N -1 0 308.356 -0.431 20 0 DBADRM CCOC(=O)[C@](C)(O)CN1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001590058817 950780981 /nfs/dbraw/zinc/78/09/81/950780981.db2.gz RBYYLEQWMFJLQA-OLZOCXBDSA-N -1 0 305.327 -0.898 20 0 DBADRM CCOC(=O)[C@H](COC)N(C(=O)[C@@H](OC)C(=O)[O-])C1CC1 ZINC001590128768 950789092 /nfs/dbraw/zinc/78/90/92/950789092.db2.gz AUHOLXNTHRCOEH-VHSXEESVSA-N -1 0 303.311 -0.345 20 0 DBADRM CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)COCC(=O)[O-] ZINC001590130096 950809711 /nfs/dbraw/zinc/80/97/11/950809711.db2.gz VASYILURZOGFBT-UWVGGRQHSA-N -1 0 303.311 -0.295 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)NCCCCCC(=O)[O-])CC1 ZINC000314525612 950820821 /nfs/dbraw/zinc/82/08/21/950820821.db2.gz IGQJEZLSHOSFGU-UHFFFAOYSA-N -1 0 301.343 -0.347 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000314960573 950831762 /nfs/dbraw/zinc/83/17/62/950831762.db2.gz OTPBWGGYBFKLEC-LBPRGKRZSA-N -1 0 322.383 -0.446 20 0 DBADRM O=C([O-])CC1(C(=O)N2CCC(CO)(CO)CC2)CCOCC1 ZINC001594970483 950841276 /nfs/dbraw/zinc/84/12/76/950841276.db2.gz FWLZDGVTFCZNIT-UHFFFAOYSA-N -1 0 315.366 -0.149 20 0 DBADRM CCOC(=O)[C@@]1(COC)CCCN(C(=O)[C@@H](OC)C(=O)[O-])C1 ZINC001590177501 950843401 /nfs/dbraw/zinc/84/34/01/950843401.db2.gz JZIQWOSMMAHDQL-YGRLFVJLSA-N -1 0 317.338 -0.096 20 0 DBADRM O=C([O-])CC1(C(=O)N2CC3(C2)CS(=O)(=O)C3)CCOCC1 ZINC001594971686 950861280 /nfs/dbraw/zinc/86/12/80/950861280.db2.gz RAYSNYUAZSEVNM-UHFFFAOYSA-N -1 0 317.363 -0.485 20 0 DBADRM CCOC(=O)[C@H]1CCCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001590208358 950884684 /nfs/dbraw/zinc/88/46/84/950884684.db2.gz JLAWUMBPLSJCBG-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM COCCn1nc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1=O ZINC000316668660 950886405 /nfs/dbraw/zinc/88/64/05/950886405.db2.gz KQQIRGGNDHLFRT-AWEZNQCLSA-N -1 0 309.322 -0.174 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)nn1 ZINC000317058333 950898074 /nfs/dbraw/zinc/89/80/74/950898074.db2.gz WWVYCCZARGOUCB-RKDXNWHRSA-N -1 0 307.310 -0.897 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)nn1 ZINC000317058331 950898212 /nfs/dbraw/zinc/89/82/12/950898212.db2.gz WWVYCCZARGOUCB-IUCAKERBSA-N -1 0 307.310 -0.897 20 0 DBADRM CCOC(=O)[C@@H]1NC(=O)N(CC2(C(=O)[O-])CCOCC2)C1=O ZINC001590346485 950912853 /nfs/dbraw/zinc/91/28/53/950912853.db2.gz MVIGTTWKFPKJMP-MRVPVSSYSA-N -1 0 314.294 -0.649 20 0 DBADRM CCOC(=O)CCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001590377526 950934324 /nfs/dbraw/zinc/93/43/24/950934324.db2.gz MYNUUUWBMOUSFU-JTQLQIEISA-N -1 0 314.338 -0.088 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)c2c(C)c(C)n[nH]c2=O)C1 ZINC000319163798 950951335 /nfs/dbraw/zinc/95/13/35/950951335.db2.gz GGXROSGVORNUGC-AWEZNQCLSA-N -1 0 309.322 -0.050 20 0 DBADRM CCOC(=O)CCN(C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001590414090 950954333 /nfs/dbraw/zinc/95/43/33/950954333.db2.gz QKDMGDXAYRKECK-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCCCn2ccnn2)C1 ZINC000319413978 950959831 /nfs/dbraw/zinc/95/98/31/950959831.db2.gz DQWZPGZOGAHGHE-CYBMUJFWSA-N -1 0 311.342 -0.199 20 0 DBADRM O=C([O-])CC1(NC(=O)C2=CCS(=O)(=O)C2)CCOCC1 ZINC001594978648 950960730 /nfs/dbraw/zinc/96/07/30/950960730.db2.gz QJGSSXCHBIRSBE-UHFFFAOYSA-N -1 0 303.336 -0.519 20 0 DBADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CN1C(=O)CNC1=O ZINC000320792004 951002280 /nfs/dbraw/zinc/00/22/80/951002280.db2.gz JDOJFOHFBAXTJF-ZDUSSCGKSA-N -1 0 317.301 -0.251 20 0 DBADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CN1C(=O)CNC1=O ZINC000320792001 951003193 /nfs/dbraw/zinc/00/31/93/951003193.db2.gz JDOJFOHFBAXTJF-CYBMUJFWSA-N -1 0 317.301 -0.251 20 0 DBADRM CCOC(=O)N1C[C@H](NC(=O)NCCC(=O)[O-])[C@@H](CO)C1 ZINC001590873671 951006974 /nfs/dbraw/zinc/00/69/74/951006974.db2.gz NZSSVNXQULITFQ-BDAKNGLRSA-N -1 0 303.315 -0.791 20 0 DBADRM CCOC(=O)NCC(=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001590883803 951012483 /nfs/dbraw/zinc/01/24/83/951012483.db2.gz CCQFRDATZJRNQW-UHFFFAOYSA-N -1 0 312.282 -0.204 20 0 DBADRM CCOC(=O)NCCC(=O)N[C@@H](CCC(=O)OC)C(=O)[O-] ZINC001590884328 951019176 /nfs/dbraw/zinc/01/91/76/951019176.db2.gz VNKBDZQVGFWMGJ-QMMMGPOBSA-N -1 0 304.299 -0.355 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001590958694 951031633 /nfs/dbraw/zinc/03/16/33/951031633.db2.gz UKEGKQFLTFZLLU-KXUCPTDWSA-N -1 0 313.306 -0.196 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(c2nnnn2C[C@@H]2COCCO2)C1 ZINC001594993695 951067325 /nfs/dbraw/zinc/06/73/25/951067325.db2.gz HCCSBNGSRGLDLL-WDEREUQCSA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)N2CC(N3CCOCC3)C2)CO1 ZINC001595000341 951112913 /nfs/dbraw/zinc/11/29/13/951112913.db2.gz JVQDKPJRDLJXNO-AAEUAGOBSA-N -1 0 312.366 -0.201 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)NCC(=O)N2CCCO2)CO1 ZINC001595000758 951121101 /nfs/dbraw/zinc/12/11/01/951121101.db2.gz GLHTYCPOMINVBT-UWVGGRQHSA-N -1 0 300.311 -0.464 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCc3nnnn3CC2)CO1 ZINC001595001814 951138543 /nfs/dbraw/zinc/13/85/43/951138543.db2.gz PMZHEBXGJRTJFY-HBNTYKKESA-N -1 0 323.353 -0.236 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NC[C@H]2CN3CCN2CC3)CO1 ZINC001595002006 951141543 /nfs/dbraw/zinc/14/15/43/951141543.db2.gz RANDOVXQFKRXTF-FRRDWIJNSA-N -1 0 311.382 -0.628 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NCCN2CCOCC2)CO1 ZINC001595002076 951142947 /nfs/dbraw/zinc/14/29/47/951142947.db2.gz RNXUOIXHTUFACZ-NWDGAFQWSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)NCCN2CCOCC2)CO1 ZINC001595002074 951143003 /nfs/dbraw/zinc/14/30/03/951143003.db2.gz RNXUOIXHTUFACZ-NEPJUHHUSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NC[C@H](O)Cn2ccnn2)CO1 ZINC001595002372 951148694 /nfs/dbraw/zinc/14/86/94/951148694.db2.gz UEMJQADQZHUOLM-GARJFASQSA-N -1 0 312.326 -0.975 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)N2CCC[C@@H](CO)[C@H]2CO)CO1 ZINC001595002446 951150241 /nfs/dbraw/zinc/15/02/41/951150241.db2.gz HNETXVAEYVPBDM-ZDEQEGDKSA-N -1 0 315.366 -0.152 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](CO)[C@H]2CO)CO1 ZINC001595002444 951150462 /nfs/dbraw/zinc/15/04/62/951150462.db2.gz HNETXVAEYVPBDM-UMSGYPCISA-N -1 0 315.366 -0.152 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)CO1 ZINC001595002657 951153171 /nfs/dbraw/zinc/15/31/71/951153171.db2.gz JKDORZYFOFZTFH-QBFZGHOFSA-N -1 0 301.364 -0.012 20 0 DBADRM CCO[C@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])[C@@H]1CCOC1 ZINC001591531819 951160785 /nfs/dbraw/zinc/16/07/85/951160785.db2.gz ZCBCWOJRWVMKIE-SCVCMEIPSA-N -1 0 317.338 -0.049 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NCc2nc(O)cc(=O)[nH]2)CO1 ZINC001595004894 951185771 /nfs/dbraw/zinc/18/57/71/951185771.db2.gz LLRKNOWCWHBICT-JGVFFNPUSA-N -1 0 311.294 -0.226 20 0 DBADRM CCO[C@@H]1C[C@](NC(=O)[C@@H](OC)C(=O)[O-])(C(=O)OC)C1(C)C ZINC001591750581 951188156 /nfs/dbraw/zinc/18/81/56/951188156.db2.gz FNFHZFMCAWTMOA-NUPCCRGMSA-N -1 0 317.338 -0.051 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000380398643 951188445 /nfs/dbraw/zinc/18/84/45/951188445.db2.gz AIIZEGXVWJORRU-SECBINFHSA-N -1 0 307.372 -0.439 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001591765281 951220348 /nfs/dbraw/zinc/22/03/48/951220348.db2.gz RESNMTIRVGBLBH-OUAUKWLOSA-N -1 0 314.338 -0.770 20 0 DBADRM O=C([O-])CC[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](CO)C2)C1 ZINC001595012486 951262252 /nfs/dbraw/zinc/26/22/52/951262252.db2.gz IUHFVHAWIYOQNQ-VXGBXAGGSA-N -1 0 312.366 -0.069 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC000387475487 951318445 /nfs/dbraw/zinc/31/84/45/951318445.db2.gz PFTMPXBRYYZISP-UHFFFAOYSA-N -1 0 316.339 -0.988 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000389451143 951351334 /nfs/dbraw/zinc/35/13/34/951351334.db2.gz QESCSKWHJWHLBB-NSHDSACASA-N -1 0 304.306 -0.040 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCCNC(=O)C2CC2)C1 ZINC000390126111 951370338 /nfs/dbraw/zinc/37/03/38/951370338.db2.gz GHTBEPBSAXSHOL-CQSZACIVSA-N -1 0 313.354 -0.355 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NCCCCS(N)(=O)=O ZINC000381135790 971741427 /nfs/dbraw/zinc/74/14/27/971741427.db2.gz IWQHFJOUPYCGQL-RKDXNWHRSA-N -1 0 307.372 -0.440 20 0 DBADRM O=C([O-])CCCCCNC(=O)C(=O)N1C[C@H](O)CC(F)(F)C1 ZINC001595034781 951394089 /nfs/dbraw/zinc/39/40/89/951394089.db2.gz OCMZWKHCYNRHRJ-SECBINFHSA-N -1 0 322.308 -0.024 20 0 DBADRM NC(=O)COc1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)cc1 ZINC000391360848 951396592 /nfs/dbraw/zinc/39/65/92/951396592.db2.gz QEHSMFZQFBEWSW-UHFFFAOYSA-N -1 0 322.317 -0.086 20 0 DBADRM CC[C@](COC)(NS(=O)(=O)CCCC(=O)OC)C(=O)[O-] ZINC000381217221 971747426 /nfs/dbraw/zinc/74/74/26/971747426.db2.gz MZHIOLBCEKUSGY-LLVKDONJSA-N -1 0 311.356 -0.261 20 0 DBADRM O=C([O-])C1(CNC(=O)N[C@H]2CCCCNC2=O)CCOCC1 ZINC000391553091 951400028 /nfs/dbraw/zinc/40/00/28/951400028.db2.gz SWGUKBJVEKANQE-JTQLQIEISA-N -1 0 313.354 -0.164 20 0 DBADRM Cc1nnc(CCNC(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC000391764156 951404232 /nfs/dbraw/zinc/40/42/32/951404232.db2.gz JUQNULSAGFIKPN-QMMMGPOBSA-N -1 0 300.340 -0.116 20 0 DBADRM CCOc1nnc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])s1 ZINC001593123692 951412391 /nfs/dbraw/zinc/41/23/91/951412391.db2.gz XONAGPFWPJWCOE-ZETCQYMHSA-N -1 0 321.380 -0.380 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC001595041024 951423123 /nfs/dbraw/zinc/42/31/23/951423123.db2.gz KSDVSSUFQZLATH-SNVBAGLBSA-N -1 0 308.338 -0.246 20 0 DBADRM Cc1nnc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)n1C ZINC000393169079 951430487 /nfs/dbraw/zinc/43/04/87/951430487.db2.gz BERFGZSPQBKWMY-UHFFFAOYSA-N -1 0 317.371 -0.745 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCc2nnc(C)n2C)C1 ZINC000393237964 951431722 /nfs/dbraw/zinc/43/17/22/951431722.db2.gz JNKYXUCDONZWOT-CYBMUJFWSA-N -1 0 311.342 -0.244 20 0 DBADRM CC(C)S(=O)(=O)CCNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000394255468 951449940 /nfs/dbraw/zinc/44/99/40/951449940.db2.gz YTZFERGJEVMQTE-VIFPVBQESA-N -1 0 308.356 -0.695 20 0 DBADRM C[C@H](C(=O)NCc1ccco1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000396631950 951480455 /nfs/dbraw/zinc/48/04/55/951480455.db2.gz DHCWDAORNCSJFK-SNVBAGLBSA-N -1 0 309.322 -0.487 20 0 DBADRM Cc1nc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)ccc1C#N ZINC000396735302 951483671 /nfs/dbraw/zinc/48/36/71/951483671.db2.gz ILEDTAHBSVKXGC-UHFFFAOYSA-N -1 0 302.290 -0.369 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000396745837 951485815 /nfs/dbraw/zinc/48/58/15/951485815.db2.gz NDMDFVBUUXZENI-UHFFFAOYSA-N -1 0 319.317 -0.311 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCCc1cnc(C2CC2)nc1 ZINC001595055547 951492134 /nfs/dbraw/zinc/49/21/34/951492134.db2.gz AKRUKNJUJKRLDG-UHFFFAOYSA-N -1 0 306.322 -0.396 20 0 DBADRM CC[C@](COC)(NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000381282267 971752319 /nfs/dbraw/zinc/75/23/19/971752319.db2.gz HFWRWPQDSRUNNY-LLVKDONJSA-N -1 0 308.356 -0.694 20 0 DBADRM O=C([O-])CCc1cccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)c1 ZINC001595063214 951523018 /nfs/dbraw/zinc/52/30/18/951523018.db2.gz OLWMKVZETPQCIX-LLVKDONJSA-N -1 0 319.317 -0.353 20 0 DBADRM O=C([O-])CN(C(=O)[C@@H]1COC(=O)N1)c1ccc2c(c1)OCO2 ZINC001595067794 951575463 /nfs/dbraw/zinc/57/54/63/951575463.db2.gz RXIICZKRABUDQE-QMMMGPOBSA-N -1 0 308.246 -0.059 20 0 DBADRM C[C@@H]1C[C@@H](CO)CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000398725383 951601829 /nfs/dbraw/zinc/60/18/29/951601829.db2.gz HLYHVNOBGPQWDC-GHMZBOCLSA-N -1 0 320.411 -0.022 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)C1=O ZINC001595073852 951620076 /nfs/dbraw/zinc/62/00/76/951620076.db2.gz JYGLTADWOZECNX-MXWKQRLJSA-N -1 0 316.379 -0.962 20 0 DBADRM CN(C[C@H]1CCOC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000399566704 951640038 /nfs/dbraw/zinc/64/00/38/951640038.db2.gz HVOKDMPOKJFICW-SNVBAGLBSA-N -1 0 306.384 -0.004 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)[C@H](O)C2CCOCC2)C1=O ZINC001595081397 951682982 /nfs/dbraw/zinc/68/29/82/951682982.db2.gz TUMBQCLZSLRHDU-GXSJLCMTSA-N -1 0 301.295 -0.997 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)[C@@H]2CCc3n[nH]cc3C2)C1=O ZINC001595082179 951692637 /nfs/dbraw/zinc/69/26/37/951692637.db2.gz ZPHAPOLCIUBQSZ-KCJUWKMLSA-N -1 0 307.306 -0.257 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)c2ccn(CC(F)F)n2)C1=O ZINC001595083033 951705074 /nfs/dbraw/zinc/70/50/74/951705074.db2.gz XVSXDCAEUPHXJR-MRVPVSSYSA-N -1 0 317.248 -0.010 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)c2cccc3c2OC(=O)C3)C1=O ZINC001595083038 951705190 /nfs/dbraw/zinc/70/51/90/951705190.db2.gz XWUZNAKTUJQQQL-SNVBAGLBSA-N -1 0 319.269 -0.010 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCSC[C@@H]2CO)C1=O ZINC001595083275 951708658 /nfs/dbraw/zinc/70/86/58/951708658.db2.gz KMPDOXJZHBLFFY-VHSXEESVSA-N -1 0 316.379 -0.754 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@H]2CCC[C@H](CO)C2)C1=O ZINC001595084016 951714250 /nfs/dbraw/zinc/71/42/50/951714250.db2.gz NRNBIMTYBGSLEB-SDDRHHMPSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@@H]2CCn3cncc32)C1=O ZINC001595085164 951721464 /nfs/dbraw/zinc/72/14/64/951721464.db2.gz RZDFSNDNKGIUPV-VHSXEESVSA-N -1 0 306.322 -0.233 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@@H](CCCO)C2)C1=O ZINC001595085949 951727110 /nfs/dbraw/zinc/72/71/10/951727110.db2.gz FKTSKEHVQYHFAF-NEPJUHHUSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NC2(C(F)F)OCCO2)C1=O ZINC001595086109 951728987 /nfs/dbraw/zinc/72/89/87/951728987.db2.gz YVYDKGAZNHHIOU-ZETCQYMHSA-N -1 0 322.264 -0.609 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NC2(C(F)F)OCCO2)C1=O ZINC001595086108 951729469 /nfs/dbraw/zinc/72/94/69/951729469.db2.gz YVYDKGAZNHHIOU-SSDOTTSWSA-N -1 0 322.264 -0.609 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCC[C@H](CCO)C2)C1=O ZINC001595086612 951735390 /nfs/dbraw/zinc/73/53/90/951735390.db2.gz LVXVAXCDLNELTB-NEPJUHHUSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCC[C@H](CO)CC2)C1=O ZINC001595086589 951735602 /nfs/dbraw/zinc/73/56/02/951735602.db2.gz LPLQSYFXYNDROO-NWDGAFQWSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)O[C@H]2CC(=O)N(C3CC3)C2)C1=O ZINC001595087719 951749230 /nfs/dbraw/zinc/74/92/30/951749230.db2.gz RBDDSVIMVOWJMP-WDEREUQCSA-N -1 0 324.333 -0.384 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)/C=C/Cn2cncn2)C1=O ZINC001595089823 951761568 /nfs/dbraw/zinc/76/15/68/951761568.db2.gz JAOMDTCDTONBEY-JOAKQRRISA-N -1 0 321.337 -0.584 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1=O ZINC001595090650 951770342 /nfs/dbraw/zinc/77/03/42/951770342.db2.gz QTJMYNUZEGIWPZ-UWVGGRQHSA-N -1 0 311.338 -0.763 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NCCCCO)C1=O ZINC001595090743 951770858 /nfs/dbraw/zinc/77/08/58/951770858.db2.gz JVGXANYJSZPVFO-JTQLQIEISA-N -1 0 301.343 -0.476 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)N2CCC[C@@H](O)C2)C1=O ZINC001595090858 951772237 /nfs/dbraw/zinc/77/22/37/951772237.db2.gz LDDMSTVDVLCQKI-GHMZBOCLSA-N -1 0 313.354 -0.382 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](N2C(=O)N[C@H](C3CC3)C2=O)C1=O ZINC001595092513 951793955 /nfs/dbraw/zinc/79/39/55/951793955.db2.gz WADYZFIOZXHIAW-MWLCHTKSSA-N -1 0 309.322 -0.218 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)C1=O ZINC001595093411 951799283 /nfs/dbraw/zinc/79/92/83/951799283.db2.gz IROOPUNCSVKTER-FPQZTECRSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)N[C@@H]2CCC[C@H]2O)C1=O ZINC001595094464 951803211 /nfs/dbraw/zinc/80/32/11/951803211.db2.gz SPRUOIJQHDERRR-GMTAPVOTSA-N -1 0 313.354 -0.335 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1=O ZINC001595094910 951806530 /nfs/dbraw/zinc/80/65/30/951806530.db2.gz XYMKVGREJFWBLW-SNVBAGLBSA-N -1 0 307.306 -0.017 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)c2cn[nH]c(=O)c2)C1=O ZINC001595096110 951814494 /nfs/dbraw/zinc/81/44/94/951814494.db2.gz LDSZFKJCXFCRQK-SECBINFHSA-N -1 0 308.294 -0.622 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)c2c[nH]c(=S)[nH]2)C1=O ZINC001595096712 951821353 /nfs/dbraw/zinc/82/13/53/951821353.db2.gz RBZLGSMPVCUKBS-SSDOTTSWSA-N -1 0 312.351 -0.106 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)c2ns[nH]c2=O)C1=O ZINC001595097103 951826282 /nfs/dbraw/zinc/82/62/82/951826282.db2.gz WDCXTCGHFMTISB-LURJTMIESA-N -1 0 314.323 -0.561 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)c2cc(F)ccc2S1(=O)=O ZINC001595097546 951834494 /nfs/dbraw/zinc/83/44/94/951834494.db2.gz SXVRNOHVBXTZFW-UHFFFAOYSA-N -1 0 316.266 -0.829 20 0 DBADRM O=C([O-])CNC(=O)CN1CCn2c(Br)cnc2C1 ZINC001595098312 951836394 /nfs/dbraw/zinc/83/63/94/951836394.db2.gz CDAODXFCHRJGMF-UHFFFAOYSA-N -1 0 317.143 -0.338 20 0 DBADRM O=C([O-])COCC(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC001595107234 951884571 /nfs/dbraw/zinc/88/45/71/951884571.db2.gz CTLRKPOBSGYKBN-UHFFFAOYSA-N -1 0 314.338 -0.815 20 0 DBADRM O=C([O-])COCC(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC001595108265 951898618 /nfs/dbraw/zinc/89/86/18/951898618.db2.gz PKFLNROMTCEYDS-NSHDSACASA-N -1 0 313.331 -0.127 20 0 DBADRM O=C([O-])COCCNC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001595111968 951909713 /nfs/dbraw/zinc/90/97/13/951909713.db2.gz FTOUUXHUHPQSMN-NKWVEPMBSA-N -1 0 312.244 -0.482 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCc2ncsc2C1 ZINC001595112312 951912315 /nfs/dbraw/zinc/91/23/15/951912315.db2.gz OWOVFGMTLUXCLB-UHFFFAOYSA-N -1 0 313.335 -0.755 20 0 DBADRM O=C([O-])COCCOCCNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001595112614 951915462 /nfs/dbraw/zinc/91/54/62/951915462.db2.gz BCHODNQRYVDLEH-SNVBAGLBSA-N -1 0 311.338 -0.251 20 0 DBADRM O=C([O-])COCCOCCN1C(=O)N2CCC[C@@H]3C[C@@]32C1=O ZINC001595112884 951918337 /nfs/dbraw/zinc/91/83/37/951918337.db2.gz NOWWJYCKHIMETB-YGRLFVJLSA-N -1 0 312.322 -0.079 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCn2cncc2C1 ZINC001595113734 951928625 /nfs/dbraw/zinc/92/86/25/951928625.db2.gz HZYIBPFOQMVTBV-UHFFFAOYSA-N -1 0 312.326 -0.474 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CC[C@H](O)[C@H](F)C1 ZINC001595113691 951929194 /nfs/dbraw/zinc/92/91/94/951929194.db2.gz GRQSAEMQIZJCGR-ZJUUUORDSA-N -1 0 308.306 -0.782 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@H](CN2CCOC2=O)C1 ZINC001595113932 951931978 /nfs/dbraw/zinc/93/19/78/951931978.db2.gz SIZNJGREIZBFSV-JTQLQIEISA-N -1 0 315.326 -0.429 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCn2c(CC3CC3)nnc2C1 ZINC001595113971 951932129 /nfs/dbraw/zinc/93/21/29/951932129.db2.gz TUGIHDRXKIHTDN-UHFFFAOYSA-N -1 0 323.353 -0.143 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1ccnc2c1CC(=O)N2 ZINC001595115244 951943358 /nfs/dbraw/zinc/94/33/58/951943358.db2.gz YLFMKIMDOUWKDN-UHFFFAOYSA-N -1 0 323.305 -0.576 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1nnc2ccccc2n1 ZINC001595116241 951945568 /nfs/dbraw/zinc/94/55/68/951945568.db2.gz IJMFCVNKLHPYOP-UHFFFAOYSA-N -1 0 320.305 -0.128 20 0 DBADRM O=C([O-])COCCOCCNS(=O)(=O)c1cncc(F)c1 ZINC001595117160 951949150 /nfs/dbraw/zinc/94/91/50/951949150.db2.gz ZRKJILIADXNLEM-UHFFFAOYSA-N -1 0 322.314 -0.383 20 0 DBADRM O=C([O-])COc1ccc(C(=O)NCCN2CCNC2=O)cc1 ZINC001595119451 951965714 /nfs/dbraw/zinc/96/57/14/951965714.db2.gz WWZXKRNAHRMSSO-UHFFFAOYSA-N -1 0 307.306 -0.095 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N(CCO)CCO ZINC000381943877 971790846 /nfs/dbraw/zinc/79/08/46/971790846.db2.gz XSMOLLMXDKPWKG-UHFFFAOYSA-N -1 0 303.336 -0.331 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC(Cn2ccnn2)CC1 ZINC001595123493 951986545 /nfs/dbraw/zinc/98/65/45/951986545.db2.gz FHLWHFIVGKVYTG-UHFFFAOYSA-N -1 0 316.383 -0.511 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001595123562 951987655 /nfs/dbraw/zinc/98/76/55/951987655.db2.gz ICUMXPZRQQKBPB-NXEZZACHSA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCN(c2cccnn2)CC1 ZINC001595123813 951990763 /nfs/dbraw/zinc/99/07/63/951990763.db2.gz DVSVTMWIALIFFW-UHFFFAOYSA-N -1 0 314.367 -0.902 20 0 DBADRM O=C([O-])CSCC(=O)N1CCC(N2CN=NC2=O)CC1 ZINC001595124985 952006754 /nfs/dbraw/zinc/00/67/54/952006754.db2.gz CBAIPBLSZHFDFV-UHFFFAOYSA-N -1 0 300.340 -0.035 20 0 DBADRM O=C([O-])CSCC(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC001595126380 952015945 /nfs/dbraw/zinc/01/59/45/952015945.db2.gz UQCOOIIPCQLYDG-UHFFFAOYSA-N -1 0 315.351 -0.559 20 0 DBADRM NC(=O)C1CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000382007511 971795509 /nfs/dbraw/zinc/79/55/09/971795509.db2.gz YIGCCEABUGPACV-UHFFFAOYSA-N -1 0 320.273 -0.231 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@H]2CC3(CO2)CCOCC3)nn1 ZINC001595141176 952080194 /nfs/dbraw/zinc/08/01/94/952080194.db2.gz BBNZUUGSMUTAKS-SNVBAGLBSA-N -1 0 324.337 -0.322 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCC(=O)OC2CCCCC2)nn1 ZINC001595141281 952080600 /nfs/dbraw/zinc/08/06/00/952080600.db2.gz CIHFUBJEIXLZBQ-UHFFFAOYSA-N -1 0 310.310 -0.032 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)nn1 ZINC001595141468 952081613 /nfs/dbraw/zinc/08/16/13/952081613.db2.gz FJXJBOGDONSOLU-NSHDSACASA-N -1 0 322.296 -0.165 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)nn1 ZINC001595141506 952082723 /nfs/dbraw/zinc/08/27/23/952082723.db2.gz FZHADOJIXYSOHC-ZETCQYMHSA-N -1 0 321.259 -0.271 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)nn1 ZINC001595143111 952097059 /nfs/dbraw/zinc/09/70/59/952097059.db2.gz SZPARAAQEAWKCT-NSHDSACASA-N -1 0 323.353 -0.701 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC3(COC(=O)N3)CC2)nn1 ZINC001595143219 952098518 /nfs/dbraw/zinc/09/85/18/952098518.db2.gz WVUYIWBPFJACTN-UHFFFAOYSA-N -1 0 309.282 -0.923 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCc2cc3n(n2)CCCC3)nn1 ZINC001595143386 952100898 /nfs/dbraw/zinc/10/08/98/952100898.db2.gz AXRNIGDFUMZFAG-UHFFFAOYSA-N -1 0 304.310 -0.175 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)cn1 ZINC001595145990 952112977 /nfs/dbraw/zinc/11/29/77/952112977.db2.gz QLKLGYKILSPYFC-SSDOTTSWSA-N -1 0 306.282 -0.534 20 0 DBADRM O=C([O-])Cn1cc(C(=O)O[C@H]2C[C@@H](N3CCOCC3)C2)nn1 ZINC001595146359 952115176 /nfs/dbraw/zinc/11/51/76/952115176.db2.gz FCCOBDMDJHPTAL-AOOOYVTPSA-N -1 0 310.310 -0.617 20 0 DBADRM O=C([O-])Cn1cc(COC(=O)CN2CCN(C3CC3)C2=O)nn1 ZINC001595146391 952116499 /nfs/dbraw/zinc/11/64/99/952116499.db2.gz GSDQGYOOYPIDNF-UHFFFAOYSA-N -1 0 323.309 -0.694 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@H]2COC3(CCC3)C2)n1 ZINC001595147393 952119586 /nfs/dbraw/zinc/11/95/86/952119586.db2.gz AELAAUCANZXERS-SECBINFHSA-N -1 0 322.321 -0.266 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCCc2ccncc2)n1 ZINC001595151077 952132157 /nfs/dbraw/zinc/13/21/57/952132157.db2.gz CYGOUPPQLNAMEF-UHFFFAOYSA-N -1 0 317.305 -0.340 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCc2ncccc2F)n1 ZINC001595151107 952132283 /nfs/dbraw/zinc/13/22/83/952132283.db2.gz FEVYZVRBWVHESC-UHFFFAOYSA-N -1 0 321.268 -0.243 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCc2ccc(F)cn2)n1 ZINC001595151130 952132506 /nfs/dbraw/zinc/13/25/06/952132506.db2.gz GCECMIUXSWKKSS-UHFFFAOYSA-N -1 0 321.268 -0.243 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCC[C@@H](OCCO)C2)c1=O ZINC001595153534 952152002 /nfs/dbraw/zinc/15/20/02/952152002.db2.gz AWLDFTNWCDITAG-LLVKDONJSA-N -1 0 324.333 -0.454 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCSC[C@@H]2CO)c1=O ZINC001595154457 952157138 /nfs/dbraw/zinc/15/71/38/952157138.db2.gz MXGJWJGGBIPHGO-VIFPVBQESA-N -1 0 312.347 -0.517 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1=O ZINC001595154886 952160250 /nfs/dbraw/zinc/16/02/50/952160250.db2.gz QGAUYBGENZRVGS-WCQGTBRESA-N -1 0 306.318 -0.224 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCCc2cnccn2)c1=O ZINC001595155018 952160426 /nfs/dbraw/zinc/16/04/26/952160426.db2.gz LWZUCLDSFCWQGB-UHFFFAOYSA-N -1 0 302.290 -0.305 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCCCC2=NNC(=O)C2)c1=O ZINC001595155093 952161536 /nfs/dbraw/zinc/16/15/36/952161536.db2.gz OHYWYYAZBFFVIA-UHFFFAOYSA-N -1 0 320.305 -0.681 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NC2(c3ncon3)CC2)c1=O ZINC001595155787 952166766 /nfs/dbraw/zinc/16/67/66/952166766.db2.gz XGTYMIVWYOHQEG-UHFFFAOYSA-N -1 0 304.262 -0.265 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)c2scnc2C(=O)[O-])CC1=O ZINC000382339993 971808796 /nfs/dbraw/zinc/80/87/96/971808796.db2.gz YBKCTXLVGZAPAZ-YFKPBYRVSA-N -1 0 305.337 -0.650 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCc2cccc(O)n2)c1=O ZINC001595156913 952171287 /nfs/dbraw/zinc/17/12/87/952171287.db2.gz UOECNSBWMLZACO-UHFFFAOYSA-N -1 0 303.274 -0.037 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)Cn2c(=O)oc3ccccc32)n1 ZINC001595157791 952173002 /nfs/dbraw/zinc/17/30/02/952173002.db2.gz BQOBKEFTHXHIFW-UHFFFAOYSA-N -1 0 317.261 -0.091 20 0 DBADRM O=C([O-])Cn1cnc(N2C(=O)[C@@H]3[C@@H]4CCC[C@H]4CN3C2=O)n1 ZINC001595158311 952178600 /nfs/dbraw/zinc/17/86/00/952178600.db2.gz RLSOUFFZBQPHQZ-XKSSXDPKSA-N -1 0 305.294 -0.070 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)[C@H]2CNC(=O)c3ccccc32)n1 ZINC001595158279 952179031 /nfs/dbraw/zinc/17/90/31/952179031.db2.gz QDXBYXRLEZLUJM-JTQLQIEISA-N -1 0 315.289 -0.172 20 0 DBADRM O=C([O-])[C@@H]1CCCN(c2nnnn2CCO[C@@H]2CCOC2)C1 ZINC001595164810 952205651 /nfs/dbraw/zinc/20/56/51/952205651.db2.gz BKXWHOJBCDEWQQ-GHMZBOCLSA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])[C@@H]1CCCN(c2nnnn2CC(=O)N2CCCCC2)C1 ZINC001595164947 952207249 /nfs/dbraw/zinc/20/72/49/952207249.db2.gz SUYDHDAJPTYCAB-LLVKDONJSA-N -1 0 322.369 -0.013 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H]1C1OCCO1 ZINC001595168298 952213263 /nfs/dbraw/zinc/21/32/63/952213263.db2.gz CQRHUQGXXKQVGN-UWVGGRQHSA-N -1 0 320.367 -0.383 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1 ZINC001595174378 952234780 /nfs/dbraw/zinc/23/47/80/952234780.db2.gz TUUXUEJFXVWJTA-ZRUFSTJUSA-N -1 0 301.364 -0.010 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCN2CCNC2=O)C[C@H]1C1CC1 ZINC001595185903 952264374 /nfs/dbraw/zinc/26/43/74/952264374.db2.gz DADWPVIZRGRCKV-WDEREUQCSA-N -1 0 310.354 -0.236 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)NCc2nnc3n2CCOC3)C1 ZINC001595196716 952300636 /nfs/dbraw/zinc/30/06/36/952300636.db2.gz PQVJZRHHLFUAIM-VIFPVBQESA-N -1 0 309.326 -0.186 20 0 DBADRM O=C([O-])[C@H]1CCCN(c2nnnn2[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC001595198137 952307089 /nfs/dbraw/zinc/30/70/89/952307089.db2.gz PSUCAVIOYXUMTM-ONGXEEELSA-N -1 0 320.353 -0.090 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1C[C@@H]1CCCOC1)C2 ZINC001595203366 952319262 /nfs/dbraw/zinc/31/92/62/952319262.db2.gz WGFZQTOHDMJFOT-MISXGVKJSA-N -1 0 323.353 -0.363 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)[nH]n1 ZINC001595207242 952337090 /nfs/dbraw/zinc/33/70/90/952337090.db2.gz SHYFHIWIHJMNPB-UHFFFAOYSA-N -1 0 320.227 -0.142 20 0 DBADRM O=C([O-])c1cc(NC(=O)[C@H]2CCS(=O)(=O)N2)ccc1O ZINC001595209014 952354120 /nfs/dbraw/zinc/35/41/20/952354120.db2.gz VJAYYOGCCGSBFR-MRVPVSSYSA-N -1 0 300.292 -0.279 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3CCOC[C@]3(CO)C2)cc1 ZINC001595215108 952374137 /nfs/dbraw/zinc/37/41/37/952374137.db2.gz BRASSJMNQXUFTM-MRXNPFEDSA-N -1 0 320.345 -0.096 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000383949846 971903385 /nfs/dbraw/zinc/90/33/85/971903385.db2.gz BVKIJOUBEXJMLQ-UHFFFAOYSA-N -1 0 308.337 -0.777 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)OCC(=O)C(=O)[O-])CC1 ZINC001593353947 953352974 /nfs/dbraw/zinc/35/29/74/953352974.db2.gz OSTFIICVVKFIAK-UHFFFAOYSA-N -1 0 307.324 -0.755 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)Nc1ncccc1C(=O)[O-] ZINC001593353915 953353178 /nfs/dbraw/zinc/35/31/78/953353178.db2.gz NBEUJNIHQGTGRX-UHFFFAOYSA-N -1 0 301.324 0.000 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC001593355025 953355103 /nfs/dbraw/zinc/35/51/03/953355103.db2.gz CAWHYIWTUWATNT-VIFPVBQESA-N -1 0 322.383 -0.594 20 0 DBADRM Cn1nccc1[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-] ZINC000402524222 953355147 /nfs/dbraw/zinc/35/51/47/953355147.db2.gz MBOJJLPMBRCZHK-NSHDSACASA-N -1 0 321.318 -0.209 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC001594738170 953355494 /nfs/dbraw/zinc/35/54/94/953355494.db2.gz KZIQJGVSKULVDO-MRVPVSSYSA-N -1 0 306.282 -0.446 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@H](O)[C@@H]2CCCO2)c1 ZINC001594738447 953358582 /nfs/dbraw/zinc/35/85/82/953358582.db2.gz WBPMHQLBBMEOMG-RYUDHWBXSA-N -1 0 322.317 -0.021 20 0 DBADRM O=C([O-])C1(CNC(=O)N2C[C@H](O)C[C@H]2CO)CCOCC1 ZINC001594742656 953369891 /nfs/dbraw/zinc/36/98/91/953369891.db2.gz VDBDYQDWVVPENU-VHSXEESVSA-N -1 0 302.327 -0.995 20 0 DBADRM O=C([O-])C1(CNC(=O)N[C@H](CO)[C@H]2CCOC2)CCOCC1 ZINC001594742681 953371241 /nfs/dbraw/zinc/37/12/41/953371241.db2.gz YEMFTKVWDYTLBE-WDEREUQCSA-N -1 0 316.354 -0.436 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(CCO)CC(F)F)C1 ZINC001589267036 953376960 /nfs/dbraw/zinc/37/69/60/953376960.db2.gz YLQZIMJWFWGZBA-DTWKUNHWSA-N -1 0 322.308 -0.358 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@H]2CCN=C3C2=NNN3C)C1 ZINC001589268045 953382102 /nfs/dbraw/zinc/38/21/02/953382102.db2.gz IAJPOMISQHDYGZ-UTLUCORTSA-N -1 0 307.354 -0.220 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCCN2CCCC2=O)CC1 ZINC000405302250 953385736 /nfs/dbraw/zinc/38/57/36/953385736.db2.gz UFMQDQMZVNYEBJ-UHFFFAOYSA-N -1 0 319.383 -0.760 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001589268799 953390447 /nfs/dbraw/zinc/39/04/47/953390447.db2.gz KASCAXKSHGGZLY-NXEZZACHSA-N -1 0 309.322 -0.504 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2=NN(CCO)C(=O)CC2)C1 ZINC001589268937 953392648 /nfs/dbraw/zinc/39/26/48/953392648.db2.gz PRLCGYNPPNBBFJ-VHSXEESVSA-N -1 0 311.338 -0.474 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCN2CCNC(=O)C2)C1 ZINC001589274771 953455185 /nfs/dbraw/zinc/45/51/85/953455185.db2.gz XOMRJKWUBVWSNG-MNOVXSKESA-N -1 0 312.370 -0.830 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC[C@]1(O)CCOC1)C2 ZINC001594754345 953461541 /nfs/dbraw/zinc/46/15/41/953461541.db2.gz QGEJECYPPBDNQB-BPNCWPANSA-N -1 0 314.338 -0.730 20 0 DBADRM O=C([O-])C1(CNC(=O)NCC[C@@]2(O)CCOC2)CCOCC1 ZINC001594754494 953462712 /nfs/dbraw/zinc/46/27/12/953462712.db2.gz UMFMIKLGOMDRMP-CQSZACIVSA-N -1 0 316.354 -0.292 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCCOC(F)F)CCO1 ZINC001594756802 953464487 /nfs/dbraw/zinc/46/44/87/953464487.db2.gz CRYAVRUFBMYEKT-ZETCQYMHSA-N -1 0 310.253 -0.956 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC(C(=O)NCCCO)CC2)CCC1 ZINC001594757022 953468932 /nfs/dbraw/zinc/46/89/32/953468932.db2.gz YHKIBZDLQYDQCF-UHFFFAOYSA-N -1 0 312.366 -0.022 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(N)=O ZINC001593610462 953469619 /nfs/dbraw/zinc/46/96/19/953469619.db2.gz YSERZHOXDZEZRC-QXEWZRGKSA-N -1 0 313.354 -0.674 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NCCN2CCOCC2)c1 ZINC001594757978 953480120 /nfs/dbraw/zinc/48/01/20/953480120.db2.gz IAOJKIMBBJKFDJ-UHFFFAOYSA-N -1 0 322.321 -0.833 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCCCn1ccnn1 ZINC001594758197 953481885 /nfs/dbraw/zinc/48/18/85/953481885.db2.gz IKPIYKIBHRVJAG-UHFFFAOYSA-N -1 0 318.293 -0.484 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCOC[C@@H]2CCCO2)C1 ZINC001594762257 953502874 /nfs/dbraw/zinc/50/28/74/953502874.db2.gz GDXYTEFOUZPBBN-QWRGUYRKSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCOC[C@@H]2CCCO2)C1 ZINC001594762256 953503004 /nfs/dbraw/zinc/50/30/04/953503004.db2.gz GDXYTEFOUZPBBN-MNOVXSKESA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])[C@@H]1CCN1C(=O)CSCC(=O)N1CCOCC1 ZINC000384607682 971938773 /nfs/dbraw/zinc/93/87/73/971938773.db2.gz ACPSNASSNBHZTL-VIFPVBQESA-N -1 0 302.352 -0.736 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nnnn2C[C@H]2COCCO2)C1 ZINC001589285191 953559119 /nfs/dbraw/zinc/55/91/19/953559119.db2.gz SSLLLUBNUZOIER-MXWKQRLJSA-N -1 0 311.342 -0.365 20 0 DBADRM C[C@@H]1C[C@H](CO)CN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001589286111 953574534 /nfs/dbraw/zinc/57/45/34/953574534.db2.gz NUQCAQSHGAXHNF-NEPJUHHUSA-N -1 0 318.370 -0.236 20 0 DBADRM O=C([O-])c1ccccc1CNC(=O)C(=O)N1CC=C[C@@H]1CO ZINC001594773642 953578149 /nfs/dbraw/zinc/57/81/49/953578149.db2.gz OJMGZHQSCMODQQ-LLVKDONJSA-N -1 0 304.302 -0.240 20 0 DBADRM CCc1cc(CNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)n[nH]1 ZINC001593630486 953578755 /nfs/dbraw/zinc/57/87/55/953578755.db2.gz DGQBSKYURLIPMN-AWEZNQCLSA-N -1 0 308.338 -0.089 20 0 DBADRM O=C([O-])c1ccccc1CNC(=O)c1cnn(C[C@H](O)CO)c1 ZINC001594776685 953587524 /nfs/dbraw/zinc/58/75/24/953587524.db2.gz OQIVHTPSVXVHAA-LBPRGKRZSA-N -1 0 319.317 -0.136 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@H](C)O1 ZINC001589290295 953594967 /nfs/dbraw/zinc/59/49/67/953594967.db2.gz REBIJZWBXLTYIM-ILWJIGKKSA-N -1 0 324.337 -0.022 20 0 DBADRM C[C@H]1C[C@@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])c2ncnn21 ZINC001589291275 953600181 /nfs/dbraw/zinc/60/01/81/953600181.db2.gz BIYQLWMBEVZXIA-YIZRAAEISA-N -1 0 315.355 -0.333 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCOCC2)CCS1(=O)=O ZINC001589291993 953611052 /nfs/dbraw/zinc/61/10/52/953611052.db2.gz BQPKNLNMUJUILS-NXEZZACHSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)[C@H](C)O1 ZINC001589292632 953616721 /nfs/dbraw/zinc/61/67/21/953616721.db2.gz HFLSCFPTSBPVMK-KXUCPTDWSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC001589299058 953676534 /nfs/dbraw/zinc/67/65/34/953676534.db2.gz HFCVAKWYVVJKNM-ZJUUUORDSA-N -1 0 311.338 -0.331 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)C1 ZINC001594789751 953687088 /nfs/dbraw/zinc/68/70/88/953687088.db2.gz GXOHKSBJDRBRAL-RRQMJJCTSA-N -1 0 314.363 -0.912 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)C1 ZINC001594795389 953712604 /nfs/dbraw/zinc/71/26/04/953712604.db2.gz OTJFETLUPKZDGY-NHCYSSNCSA-N -1 0 323.353 -0.020 20 0 DBADRM CCc1nn(C)cc1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001593653929 953729117 /nfs/dbraw/zinc/72/91/17/953729117.db2.gz UFOAWVMJUBBIOY-NSHDSACASA-N -1 0 301.368 -0.334 20 0 DBADRM CCc1ncoc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001593654086 953731826 /nfs/dbraw/zinc/73/18/26/953731826.db2.gz MCEYYTUMCTWKMC-QMMMGPOBSA-N -1 0 302.308 -0.439 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cn1nnc2c(cnn2C)c1=O ZINC001589307963 953760504 /nfs/dbraw/zinc/76/05/04/953760504.db2.gz GHOLIXIMVGKLRC-DTWKUNHWSA-N -1 0 306.326 -0.332 20 0 DBADRM CCn1c(N)c(C(=O)CN([C@@H](C)C(=O)[O-])C2CC2)c(=O)[nH]c1=O ZINC001593659840 953787386 /nfs/dbraw/zinc/78/73/86/953787386.db2.gz ILWRBGISGJLWJA-ZETCQYMHSA-N -1 0 324.337 -0.329 20 0 DBADRM CCn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001593660242 953790760 /nfs/dbraw/zinc/79/07/60/953790760.db2.gz JIBUWCFBEMNVSV-AXFHLTTASA-N -1 0 309.370 -0.054 20 0 DBADRM CCn1c(C[C@H](C)O)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593660245 953790860 /nfs/dbraw/zinc/79/08/60/953790860.db2.gz MOTBUVOLZAGYQY-IMSIIYSGSA-N -1 0 310.354 -0.241 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCOCC2)CS1(=O)=O ZINC001589312577 953803314 /nfs/dbraw/zinc/80/33/14/953803314.db2.gz ZGRXRKYJPMMBTK-NXEZZACHSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)C2(C(=O)[O-])CCOCC2)CS1(=O)=O ZINC001589312580 953803324 /nfs/dbraw/zinc/80/33/24/953803324.db2.gz ZGRXRKYJPMMBTK-ZJUUUORDSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@H](CC(C)(C)O)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000384812159 971959795 /nfs/dbraw/zinc/95/97/95/971959795.db2.gz CMRCNMLGGBTCFU-MRVPVSSYSA-N -1 0 305.356 -0.205 20 0 DBADRM CCn1cc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)nn1 ZINC001593665092 953828089 /nfs/dbraw/zinc/82/80/89/953828089.db2.gz HTRZWQVZWZHICJ-SECBINFHSA-N -1 0 309.326 -0.507 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCn2cncc2C1 ZINC001594811593 953832915 /nfs/dbraw/zinc/83/29/15/953832915.db2.gz CHTQNDBYZQKMFZ-UHFFFAOYSA-N -1 0 315.289 -0.043 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NC1COCCOC1 ZINC001594811611 953833158 /nfs/dbraw/zinc/83/31/58/953833158.db2.gz DLNOJJUUCCCYDB-UHFFFAOYSA-N -1 0 309.278 -0.750 20 0 DBADRM CCn1cc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])ccc1=O ZINC001593665970 953846615 /nfs/dbraw/zinc/84/66/15/953846615.db2.gz VTAPDPFYWWSTLR-SECBINFHSA-N -1 0 309.322 -0.014 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)Nc2cnc3c(c2)CNC3=O)CCOC1 ZINC001594815346 953857160 /nfs/dbraw/zinc/85/71/60/953857160.db2.gz UASDOWUCIPHWOH-CYBMUJFWSA-N -1 0 306.278 -0.310 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)CCCO1 ZINC001594815460 953857822 /nfs/dbraw/zinc/85/78/22/953857822.db2.gz ZJYMOVVVXNEGPE-YMTOWFKASA-N -1 0 322.321 -0.170 20 0 DBADRM CCn1cnnc1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593669658 953870134 /nfs/dbraw/zinc/87/01/34/953870134.db2.gz QVXVMDAPUVLECI-ZANVPECISA-N -1 0 309.326 -0.459 20 0 DBADRM C[C@@H]1CCCCN1S(=O)(=O)NCCOCCOCC(=O)[O-] ZINC001589321037 953873989 /nfs/dbraw/zinc/87/39/89/953873989.db2.gz ZVNHPLZUOFEGES-LLVKDONJSA-N -1 0 324.399 -0.187 20 0 DBADRM CCn1nc(C(=O)N(CCC(=O)OC)CC(=O)[O-])ccc1=O ZINC001593670697 953879554 /nfs/dbraw/zinc/87/95/54/953879554.db2.gz MNCRUSUIYSRTEY-UHFFFAOYSA-N -1 0 311.294 -0.647 20 0 DBADRM C[C@@H](O)C[C@@H]1CCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000384913738 971967361 /nfs/dbraw/zinc/96/73/61/971967361.db2.gz AHHLLRKMQZLILP-ZJUUUORDSA-N -1 0 317.367 -0.108 20 0 DBADRM CCn1ncnc1COC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593673989 953898538 /nfs/dbraw/zinc/89/85/38/953898538.db2.gz DUSYZNSRFGJGMT-SECBINFHSA-N -1 0 310.310 -0.336 20 0 DBADRM CN(C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)[C@@H]1CCNC1=O ZINC001593674123 953899106 /nfs/dbraw/zinc/89/91/06/953899106.db2.gz KQCZULYSXCKZFE-SECBINFHSA-N -1 0 311.338 -0.953 20 0 DBADRM CN(C(=O)C1(CC(=O)[O-])CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001593675365 953918193 /nfs/dbraw/zinc/91/81/93/953918193.db2.gz UBVHGCKNOIYZAT-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM CN(C(=O)[C@@]1(C(=O)[O-])CC1(C)C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001593676389 953931028 /nfs/dbraw/zinc/93/10/28/953931028.db2.gz NDDARNTUUPKOCM-NOZJJQNGSA-N -1 0 318.395 -0.020 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2CCCC23OCCO3)CC1 ZINC001594825063 953934007 /nfs/dbraw/zinc/93/40/07/953934007.db2.gz AEASLGPVXVCMPB-SNVBAGLBSA-N -1 0 312.322 -0.715 20 0 DBADRM CN(C(=O)C(=O)Nc1ccccc1C(=O)[O-])[C@H]1CCNC1=O ZINC001593676842 953938103 /nfs/dbraw/zinc/93/81/03/953938103.db2.gz WUXRQXIEDJEREM-JTQLQIEISA-N -1 0 305.290 -0.330 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cc3n(n2)CCC[C@@H]3O)CC1 ZINC001594827011 953945264 /nfs/dbraw/zinc/94/52/64/953945264.db2.gz RQXRVDNPPFQKDM-NSHDSACASA-N -1 0 322.321 -0.921 20 0 DBADRM C[C@H]1CCCc2nc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cn21 ZINC001589332208 953950156 /nfs/dbraw/zinc/95/01/56/953950156.db2.gz CZTIQTDPMDWYTR-UFBFGSQYSA-N -1 0 317.367 -0.106 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](O)[C@@H](F)C2)C[C@H]1C(=O)[O-] ZINC001589332514 953952934 /nfs/dbraw/zinc/95/29/34/953952934.db2.gz KXSKPJQAHOBPJD-ZNSHCXBVSA-N -1 0 316.329 -0.513 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cnc3cnccc3c2)CC1 ZINC001594828159 953953772 /nfs/dbraw/zinc/95/37/72/953953772.db2.gz CIXYHOXJLDLWPI-UHFFFAOYSA-N -1 0 314.301 -0.001 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2nncc3ccccc32)CC1 ZINC001594828283 953955900 /nfs/dbraw/zinc/95/59/00/953955900.db2.gz PTFRWYIZTFNJFJ-UHFFFAOYSA-N -1 0 314.301 -0.001 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 ZINC001594828355 953956712 /nfs/dbraw/zinc/95/67/12/953956712.db2.gz XITRSCCOHUQYBL-SWLSCSKDSA-N -1 0 312.366 -0.057 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)C[C@@H]1C(=O)[O-] ZINC001589333096 953960552 /nfs/dbraw/zinc/96/05/52/953960552.db2.gz WUKLPELBKDYYRL-USXUVBGUSA-N -1 0 310.350 -0.461 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@]2(C(=O)[O-])CCCO2)O1 ZINC001593682357 953967595 /nfs/dbraw/zinc/96/75/95/953967595.db2.gz RHSQXAHTFNVHFV-PKFCDNJMSA-N -1 0 314.338 -0.628 20 0 DBADRM CN(C)C(=O)O[C@@H]1CCCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001593686547 953991182 /nfs/dbraw/zinc/99/11/82/953991182.db2.gz KQXQQSFEGOXTEA-GHMZBOCLSA-N -1 0 313.354 -0.166 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cn1 ZINC001593686602 953991892 /nfs/dbraw/zinc/99/18/92/953991892.db2.gz AYWCRRNKXVSMTA-VIFPVBQESA-N -1 0 309.282 -0.861 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(C(=O)[O-])cn2)nn1 ZINC001593686843 953993656 /nfs/dbraw/zinc/99/36/56/953993656.db2.gz JMERSPDQFLLFSX-UHFFFAOYSA-N -1 0 318.293 -0.288 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001593687157 953995897 /nfs/dbraw/zinc/99/58/97/953995897.db2.gz NSZWZFNZSDKXRD-PSASIEDQSA-N -1 0 312.326 -0.522 20 0 DBADRM CN(C)C(=O)N[C@H]1CCCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001593687170 953996101 /nfs/dbraw/zinc/99/61/01/953996101.db2.gz OGFJPLYFZHXAQX-QWRGUYRKSA-N -1 0 312.370 -0.387 20 0 DBADRM CN(C)C(=O)NC1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001593687700 954000429 /nfs/dbraw/zinc/00/04/29/954000429.db2.gz ZFQDVQAUWJBWGH-CQSZACIVSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001593688238 954002785 /nfs/dbraw/zinc/00/27/85/954002785.db2.gz DMEYUYUAUMIQJJ-SNVBAGLBSA-N -1 0 313.354 -0.706 20 0 DBADRM O=C([O-])[C@H](C(=O)NC[C@]1(O)CCS(=O)(=O)C1)C1CCCC1 ZINC001594834369 954017100 /nfs/dbraw/zinc/01/71/00/954017100.db2.gz ZHTQICZLXGENRK-GXFFZTMASA-N -1 0 319.379 -0.457 20 0 DBADRM CN(C)[C@@H](C(=O)Nc1cnn(CC(=O)[O-])c1)c1cncn1C ZINC001593691644 954038477 /nfs/dbraw/zinc/03/84/77/954038477.db2.gz RVVQZNHPYPPPGB-GFCCVEGCSA-N -1 0 306.326 -0.057 20 0 DBADRM CN(C)CCN(CC(=O)[O-])C(=O)C[C@H]1CCCS1(=O)=O ZINC001593699192 954095109 /nfs/dbraw/zinc/09/51/09/954095109.db2.gz JHTWGUQHLONIKD-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM O=C([O-])C1(C(=O)N2C[C@@H](O)C3(CC3)C2)CCS(=O)(=O)CC1 ZINC001594842970 954096854 /nfs/dbraw/zinc/09/68/54/954096854.db2.gz BAJCYMSDQQHVIM-SECBINFHSA-N -1 0 317.363 -0.751 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)C[C@H]2CN(C)CCO2)C[C@@H]1C(=O)[O-] ZINC001589355225 954126265 /nfs/dbraw/zinc/12/62/65/954126265.db2.gz HEDOGAGPBBBHGL-UTUOFQBUSA-N -1 0 320.411 -0.311 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC001593703863 954143045 /nfs/dbraw/zinc/14/30/45/954143045.db2.gz JTWPIYUBPHFIET-VIFPVBQESA-N -1 0 319.383 -0.474 20 0 DBADRM CN(C)S(=O)(=O)C[C@H](NC(=O)NCC(=O)[O-])C(F)(F)F ZINC001593704155 954144210 /nfs/dbraw/zinc/14/42/10/954144210.db2.gz NWLOHWYXVMDZIO-YFKPBYRVSA-N -1 0 321.277 -0.808 20 0 DBADRM O=C([O-])C1(C(=O)N2CC[C@@H](CO)C2)CCS(=O)(=O)CC1 ZINC001594845939 954145529 /nfs/dbraw/zinc/14/55/29/954145529.db2.gz HOJFTNHPWVIMDS-SECBINFHSA-N -1 0 305.352 -0.893 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(COC(=O)COCC(=O)[O-])o1 ZINC001593707086 954152402 /nfs/dbraw/zinc/15/24/02/954152402.db2.gz JFAOIHKSGYRCLS-UHFFFAOYSA-N -1 0 321.307 -0.326 20 0 DBADRM C[C@@H]1CCN(c2nnc(CS(C)(=O)=O)n2C)C[C@H]1C(=O)[O-] ZINC001589362600 954161521 /nfs/dbraw/zinc/16/15/21/954161521.db2.gz QAUDKNWHMIBFBQ-RKDXNWHRSA-N -1 0 316.383 -0.093 20 0 DBADRM O=C([O-])C1(C(=O)N2CCO[C@H]3C[C@H]32)CCS(=O)(=O)CC1 ZINC001594848748 954162446 /nfs/dbraw/zinc/16/24/46/954162446.db2.gz ACBYNWGJAMTYOF-BDAKNGLRSA-N -1 0 303.336 -0.734 20 0 DBADRM O=C([O-])C1(C(=O)N2CCO[C@@H](CN3CCOCC3)C2)CCC1 ZINC001594850012 954173684 /nfs/dbraw/zinc/17/36/84/954173684.db2.gz ZENMKAFBCZNNOD-LBPRGKRZSA-N -1 0 312.366 -0.199 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C[C@H](C)[C@H]1O ZINC001589365676 954189416 /nfs/dbraw/zinc/18/94/16/954189416.db2.gz VHOQEXPWSMTEGF-KXNHARMFSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@@H](C)C1O ZINC001589366361 954199033 /nfs/dbraw/zinc/19/90/33/954199033.db2.gz MJLJEDDRKOAYEL-RKDXNWHRSA-N -1 0 324.337 -0.619 20 0 DBADRM CN(C)c1cccc(CNC(=O)c2cn(CC(=O)[O-])nn2)n1 ZINC001593714742 954200673 /nfs/dbraw/zinc/20/06/73/954200673.db2.gz KOAKIPXDSAFZPJ-UHFFFAOYSA-N -1 0 304.310 -0.246 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CC[C@H]1O ZINC001589366711 954202863 /nfs/dbraw/zinc/20/28/63/954202863.db2.gz QORHHDFWUZCVQM-LDYMZIIASA-N -1 0 307.306 -0.052 20 0 DBADRM O=C([O-])[C@]1(C(=O)N[C@@H](CO)[C@H](O)c2cccnc2)CCCO1 ZINC001594852335 954205317 /nfs/dbraw/zinc/20/53/17/954205317.db2.gz UCGYVUMTBPSIRV-MISXGVKJSA-N -1 0 310.306 -0.774 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCC[S@](C)=O)CC[C@@H]1C(=O)[O-] ZINC001589367372 954206578 /nfs/dbraw/zinc/20/65/78/954206578.db2.gz WCNCSEPVSMEESH-DYCLVXDSSA-N -1 0 304.368 -0.950 20 0 DBADRM CN(C)c1ncc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1C ZINC001593715101 954207856 /nfs/dbraw/zinc/20/78/56/954207856.db2.gz GNBSWKMJBLGAGN-SNVBAGLBSA-N -1 0 316.383 -0.830 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593715320 954211102 /nfs/dbraw/zinc/21/11/02/954211102.db2.gz MHAJUKLYOMSNTC-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)Nc2cc(C(=O)[O-])ccn2)n1 ZINC001593715765 954219385 /nfs/dbraw/zinc/21/93/85/954219385.db2.gz VZPBOEBVKRBTPI-UHFFFAOYSA-N -1 0 303.282 -0.135 20 0 DBADRM CN(CC(=O)NC(C)(C)CCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001593716533 954223797 /nfs/dbraw/zinc/22/37/97/954223797.db2.gz ULDXMFDGMRNUFT-JTQLQIEISA-N -1 0 320.411 -0.135 20 0 DBADRM C[C@@H]1CN(C(=O)C2(n3cnnn3)CCOCC2)CC[C@H]1C(=O)[O-] ZINC001589373192 954224594 /nfs/dbraw/zinc/22/45/94/954224594.db2.gz CBNQJZBHRZKGOV-GHMZBOCLSA-N -1 0 323.353 -0.252 20 0 DBADRM C[C@H]1CN(C(=O)C2(n3cnnn3)CCOCC2)CC[C@@H]1C(=O)[O-] ZINC001589373202 954225261 /nfs/dbraw/zinc/22/52/61/954225261.db2.gz CBNQJZBHRZKGOV-QWRGUYRKSA-N -1 0 323.353 -0.252 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CCN1CCO ZINC001589373864 954232136 /nfs/dbraw/zinc/23/21/36/954232136.db2.gz XTCDZTGVJNVQGZ-FRRDWIJNSA-N -1 0 314.382 -0.219 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC001593718964 954237067 /nfs/dbraw/zinc/23/70/67/954237067.db2.gz FMFWQDLGILRLOJ-CYBMUJFWSA-N -1 0 310.350 -0.303 20 0 DBADRM O=C([O-])[C@]1(C(=O)NC[C@@H](CO)Cc2cccnc2)CCCO1 ZINC001594856264 954237438 /nfs/dbraw/zinc/23/74/38/954237438.db2.gz RMKFGIAUDHCCLP-SWLSCSKDSA-N -1 0 308.334 -0.017 20 0 DBADRM C[C@@H]1CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCO1 ZINC001589374778 954242244 /nfs/dbraw/zinc/24/22/44/954242244.db2.gz MZDWKJVUWOZYQI-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM CN(CC(=O)Nc1cc(C(=O)[O-])n[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC001593719529 954243727 /nfs/dbraw/zinc/24/37/27/954243727.db2.gz VBLKKNPSPAKJDJ-ZETCQYMHSA-N -1 0 316.339 -0.835 20 0 DBADRM C[C@@H]1CN(C(=O)NCCOCCOCC(=O)[O-])CC[C@H]1O ZINC001589375158 954245980 /nfs/dbraw/zinc/24/59/80/954245980.db2.gz DHLBHYUHWISHEB-GHMZBOCLSA-N -1 0 304.343 -0.484 20 0 DBADRM O=C([O-])C1(C(=O)NCCC2CS(=O)(=O)C2)CCOCC1 ZINC001594858565 954256723 /nfs/dbraw/zinc/25/67/23/954256723.db2.gz JNBNUUJUWMZPRO-UHFFFAOYSA-N -1 0 305.352 -0.581 20 0 DBADRM O=C([O-])[C@]1(C(=O)NCC2CCS(=O)(=O)CC2)CCCO1 ZINC001594859597 954265342 /nfs/dbraw/zinc/26/53/42/954265342.db2.gz KCUALHGRFGZLLG-GFCCVEGCSA-N -1 0 305.352 -0.439 20 0 DBADRM C[C@H]1CN(C(=O)NCC(=O)N=S(C)(C)=O)CC[C@H]1C(=O)[O-] ZINC001589376845 954266043 /nfs/dbraw/zinc/26/60/43/954266043.db2.gz HGOFIKPYASHVPQ-DTWKUNHWSA-N -1 0 319.383 -0.007 20 0 DBADRM CN(CC(C)(C)CN1CCOCC1)C(=O)COCC(=O)[O-] ZINC001593724170 954269292 /nfs/dbraw/zinc/26/92/92/954269292.db2.gz NEERUURNMLCIFB-UHFFFAOYSA-N -1 0 302.371 -0.096 20 0 DBADRM O=C([O-])C1(C(=O)NCCN2CCC3(C2)OCCO3)CC=CC1 ZINC001594860843 954273693 /nfs/dbraw/zinc/27/36/93/954273693.db2.gz ALSRWHBRICSCII-UHFFFAOYSA-N -1 0 310.350 -0.028 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)C1CCC(CO)CC1 ZINC001593728169 954298435 /nfs/dbraw/zinc/29/84/35/954298435.db2.gz AHDCFOZQHNMHNE-UHFFFAOYSA-N -1 0 300.355 -0.071 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)C[C@H](O)C(F)(F)F ZINC001593728326 954299212 /nfs/dbraw/zinc/29/92/12/954299212.db2.gz HNYVWAWPRFCSSS-LURJTMIESA-N -1 0 300.233 -0.699 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)[C@@H](CO)Cc1ccccc1 ZINC001593728462 954300960 /nfs/dbraw/zinc/30/09/60/954300960.db2.gz LYECHWVBUSNFBJ-CYBMUJFWSA-N -1 0 322.361 -0.019 20 0 DBADRM CN(C[C@H]1CCCN(C(=O)COCC(=O)[O-])C1)S(C)(=O)=O ZINC001593729997 954313328 /nfs/dbraw/zinc/31/33/28/954313328.db2.gz RPNKRAASBJQVOR-SNVBAGLBSA-N -1 0 322.383 -0.782 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC001593730992 954316860 /nfs/dbraw/zinc/31/68/60/954316860.db2.gz BMPKOMOVJUBVTI-UHFFFAOYSA-N -1 0 321.337 -0.942 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC001593730966 954317194 /nfs/dbraw/zinc/31/71/94/954317194.db2.gz ATVXLGZCXFOAGG-UHFFFAOYSA-N -1 0 323.231 -0.627 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)C1(S(C)(=O)=O)CCOCC1 ZINC001593742133 954357860 /nfs/dbraw/zinc/35/78/60/954357860.db2.gz BHOAGSXGCHAJIM-UHFFFAOYSA-N -1 0 307.368 -0.097 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC001593743901 954368951 /nfs/dbraw/zinc/36/89/51/954368951.db2.gz LWJRUXBRGHGWHI-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM C[C@H]1OCC[C@@]12CN([C@@H]1CCN(CC(=O)[O-])C1=O)C[C@@H](C)O2 ZINC001589395975 954372812 /nfs/dbraw/zinc/37/28/12/954372812.db2.gz PXHVYMHZZZHOFZ-RTWAVKEYSA-N -1 0 312.366 -0.060 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001593744482 954374474 /nfs/dbraw/zinc/37/44/74/954374474.db2.gz SNGHAYKKOOUFIB-CYBMUJFWSA-N -1 0 315.326 -0.286 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)Cc2noc(C3CC3)n2)CCOC1 ZINC001594883477 954448411 /nfs/dbraw/zinc/44/84/11/954448411.db2.gz TXTYAFRKXQVTQW-LLVKDONJSA-N -1 0 317.323 -0.390 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)C1 ZINC001594885811 954461455 /nfs/dbraw/zinc/46/14/55/954461455.db2.gz NCIYWNOYFONQAG-HZGVNTEJSA-N -1 0 322.277 -0.567 20 0 DBADRM CN(Cc1c(C(=O)[O-])cnn1C)C[C@@H](O)CN1CCOCC1 ZINC001593757035 954464021 /nfs/dbraw/zinc/46/40/21/954464021.db2.gz PEMPZYUZDLDTEP-LLVKDONJSA-N -1 0 312.370 -0.757 20 0 DBADRM CN(CCn1cc(Br)cn1)CC(=O)NCC(=O)[O-] ZINC001593757087 954465261 /nfs/dbraw/zinc/46/52/61/954465261.db2.gz SMQPOBMCWCTKLG-UHFFFAOYSA-N -1 0 319.159 -0.222 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589407425 954473007 /nfs/dbraw/zinc/47/30/07/954473007.db2.gz SKNALWDIZTWJIY-LDYMZIIASA-N -1 0 323.305 -0.674 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)C1 ZINC001594888321 954484609 /nfs/dbraw/zinc/48/46/09/954484609.db2.gz CDGAAEPECFRGBM-HTQZYQBOSA-N -1 0 309.282 -0.498 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)C1 ZINC001594888324 954485023 /nfs/dbraw/zinc/48/50/23/954485023.db2.gz CDGAAEPECFRGBM-SFYZADRCSA-N -1 0 309.282 -0.498 20 0 DBADRM C[C@@H]1COCC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001589408228 954485354 /nfs/dbraw/zinc/48/53/54/954485354.db2.gz HPIBCCDOBWYWKS-KXUCPTDWSA-N -1 0 305.352 -0.631 20 0 DBADRM CN(Cc1ccncc1)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593763576 954496079 /nfs/dbraw/zinc/49/60/79/954496079.db2.gz DNZXQLRMZPKSTH-UHFFFAOYSA-N -1 0 317.305 -0.040 20 0 DBADRM CN(Cc1nnc2ccccn21)C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001593764772 954505797 /nfs/dbraw/zinc/50/57/97/954505797.db2.gz CDGNNYULMGJABT-SECBINFHSA-N -1 0 303.278 -0.083 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@@H]2Cc3cnccc3NC2=O)C1 ZINC001594890029 954510525 /nfs/dbraw/zinc/51/05/25/954510525.db2.gz GLMBNKLIAAPVJB-PSASIEDQSA-N -1 0 304.262 -0.710 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC001594890060 954511257 /nfs/dbraw/zinc/51/12/57/954511257.db2.gz HDQRPZSAWYXPRW-SECBINFHSA-N -1 0 304.324 -0.843 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCN(C(=O)N3CCCC3)CC2)C1 ZINC001594890867 954523121 /nfs/dbraw/zinc/52/31/21/954523121.db2.gz LOGHTFUUUSUDKI-LLVKDONJSA-N -1 0 324.337 -0.424 20 0 DBADRM CN1C(=O)C[C@@H](NC(=O)c2cccc(OCC(=O)[O-])c2)C1=O ZINC001593767012 954527151 /nfs/dbraw/zinc/52/71/51/954527151.db2.gz HHQKLDUQCISMLV-SNVBAGLBSA-N -1 0 306.274 -0.363 20 0 DBADRM CN1C(=O)CN(NC(=O)C2(C(=O)[O-])CCSCC2)C1=O ZINC001593769349 954537386 /nfs/dbraw/zinc/53/73/86/954537386.db2.gz QVUGCJCBZAXUEI-UHFFFAOYSA-N -1 0 301.324 -0.490 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C1 ZINC001594892765 954548285 /nfs/dbraw/zinc/54/82/85/954548285.db2.gz VEMRKKXDLPKVPG-RFZPGFLSSA-N -1 0 320.170 -0.109 20 0 DBADRM CN1CC(=O)Nc2cc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)cnc21 ZINC001593772445 954552691 /nfs/dbraw/zinc/55/26/91/954552691.db2.gz LACAHWKMGCNREK-AWEZNQCLSA-N -1 0 320.305 -0.557 20 0 DBADRM CN1C[C@@H](C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1=O ZINC001593772583 954553731 /nfs/dbraw/zinc/55/37/31/954553731.db2.gz LTMXZVFRZXKVBI-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCOCCOCC(=O)[O-] ZINC001589417138 954562855 /nfs/dbraw/zinc/56/28/55/954562855.db2.gz NJKFPRBXPIDSJV-UWVGGRQHSA-N -1 0 311.356 -0.799 20 0 DBADRM CN1C[C@H](O)C[C@H]1c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C ZINC001593773475 954563612 /nfs/dbraw/zinc/56/36/12/954563612.db2.gz GQZNWYGUOUGLDZ-AXFHLTTASA-N -1 0 309.370 -0.146 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)NCC3(C(=O)[O-])CCC3)C[C@H]2C1=O ZINC001593773740 954568786 /nfs/dbraw/zinc/56/87/86/954568786.db2.gz FQZJPPCBDITZCP-DTORHVGOSA-N -1 0 309.322 -0.503 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)[C@H]3CO[C@H](CCC(=O)[O-])C3)C[C@H]2C1=O ZINC001593773847 954571624 /nfs/dbraw/zinc/57/16/24/954571624.db2.gz ITIOKZZQHUTZDN-DBIOUOCHSA-N -1 0 324.333 -0.671 20 0 DBADRM C[C@@H]1OCC[C@H]1N(CCO)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589418005 954574071 /nfs/dbraw/zinc/57/40/71/954574071.db2.gz YYZYQWQWEHHXPI-VHSXEESVSA-N -1 0 312.326 -0.029 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)[C@@H]3CC[C@@H]3C(=O)[O-])CC2)C1=O ZINC001593774080 954576688 /nfs/dbraw/zinc/57/66/88/954576688.db2.gz MLQTTYDHBJXQEL-BDAKNGLRSA-N -1 0 309.322 -0.360 20 0 DBADRM C[C@@H]1c2nncn2CCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589418725 954580885 /nfs/dbraw/zinc/58/08/85/954580885.db2.gz XYHKJWCOJKKHBY-SECBINFHSA-N -1 0 317.305 -0.259 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CC[C@H](Nc3ncccn3)C2)C1 ZINC001594897987 954586962 /nfs/dbraw/zinc/58/69/62/954586962.db2.gz DQQAPIRUIIBUDQ-MNOVXSKESA-N -1 0 305.338 -0.147 20 0 DBADRM CN1CC[C@H]1CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593777674 954610092 /nfs/dbraw/zinc/61/00/92/954610092.db2.gz FNBHVBIRCXTKMB-VIFPVBQESA-N -1 0 304.368 -0.914 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589425086 954611107 /nfs/dbraw/zinc/61/11/07/954611107.db2.gz VQKYJGHQPNRTOJ-NXEZZACHSA-N -1 0 313.354 -0.517 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589425088 954611194 /nfs/dbraw/zinc/61/11/94/954611194.db2.gz VQKYJGHQPNRTOJ-VHSXEESVSA-N -1 0 313.354 -0.517 20 0 DBADRM CCC(=O)N1CCCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001589425718 954614137 /nfs/dbraw/zinc/61/41/37/954614137.db2.gz JLYWBXLHWGWMRA-UHFFFAOYSA-N -1 0 306.384 -0.570 20 0 DBADRM CN1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001593778282 954616436 /nfs/dbraw/zinc/61/64/36/954616436.db2.gz SPGMKZCVHBFHAJ-GRYCIOLGSA-N -1 0 309.366 -0.624 20 0 DBADRM CN1CCCC[C@@H](C(=O)NCCOCCOCC(=O)[O-])C1=O ZINC001593780524 954650822 /nfs/dbraw/zinc/65/08/22/954650822.db2.gz GNGSOLIMIZHYPU-NSHDSACASA-N -1 0 316.354 -0.521 20 0 DBADRM CN1CCC[C@H](OC(=O)c2cccn(CC(=O)[O-])c2=O)C1=O ZINC001593781745 954678065 /nfs/dbraw/zinc/67/80/65/954678065.db2.gz WIUMNVFXQJCTPQ-JTQLQIEISA-N -1 0 308.290 -0.290 20 0 DBADRM CN1CCN(S(=O)(=O)N2CCCC[C@H]2CC(=O)[O-])CC1 ZINC001593785013 954691256 /nfs/dbraw/zinc/69/12/56/954691256.db2.gz WCZCFUZBTQIBBV-NSHDSACASA-N -1 0 305.400 -0.192 20 0 DBADRM CN1CCO[C@H](C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001593786721 954706691 /nfs/dbraw/zinc/70/66/91/954706691.db2.gz DMOZYSOITPXTDJ-OOLXCHQQSA-N -1 0 312.366 -0.154 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])C1=O ZINC001593787172 954717523 /nfs/dbraw/zinc/71/75/23/954717523.db2.gz RZXKYWOHOAPPFP-GHMZBOCLSA-N -1 0 307.306 -0.949 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC001593787338 954721861 /nfs/dbraw/zinc/72/18/61/954721861.db2.gz BSZKRGBNGUONPT-NWDGAFQWSA-N -1 0 306.318 -0.344 20 0 DBADRM O=C([O-])C1CCN(C(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)CC1 ZINC001594914315 954726170 /nfs/dbraw/zinc/72/61/70/954726170.db2.gz BBHDTDPNCGPUQV-RYUDHWBXSA-N -1 0 320.349 -0.261 20 0 DBADRM O=C([O-])C1CCN(C(=O)[C@H]2C[C@H](O)CN2c2ccncn2)CC1 ZINC001594914314 954726969 /nfs/dbraw/zinc/72/69/69/954726969.db2.gz BBHDTDPNCGPUQV-NWDGAFQWSA-N -1 0 320.349 -0.261 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(F)(F)C(=O)N2CCOCC2)C1 ZINC001594914532 954731439 /nfs/dbraw/zinc/73/14/39/954731439.db2.gz ISESXBMMNAYFDS-QMMMGPOBSA-N -1 0 306.265 -0.586 20 0 DBADRM CC[C@@H](C(=O)[O-])N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001589442564 954731500 /nfs/dbraw/zinc/73/15/00/954731500.db2.gz BVQOJACXXQJANT-UWVGGRQHSA-N -1 0 306.384 -0.525 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCCCS(N)(=O)=O ZINC001589442951 954734935 /nfs/dbraw/zinc/73/49/35/954734935.db2.gz XXNYHYOAFPMRFU-QMMMGPOBSA-N -1 0 316.401 -0.820 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3=O)C2)C1 ZINC001594914953 954737715 /nfs/dbraw/zinc/73/77/15/954737715.db2.gz BQHLYVIYKQAUMN-WDEREUQCSA-N -1 0 323.349 -0.857 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001593788451 954742290 /nfs/dbraw/zinc/74/22/90/954742290.db2.gz SNEPBGXJZJWMGV-MRVPVSSYSA-N -1 0 302.294 -0.057 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593788758 954748112 /nfs/dbraw/zinc/74/81/12/954748112.db2.gz XEPLQNBYYFIASJ-ZETCQYMHSA-N -1 0 305.298 -0.869 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC001593789067 954750774 /nfs/dbraw/zinc/75/07/74/954750774.db2.gz PTQXSGJTOZVOJI-XPTSAGLGSA-N -1 0 313.354 -0.850 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001593789541 954753068 /nfs/dbraw/zinc/75/30/68/954753068.db2.gz XPSIMZVMSWDBRP-HNNXBMFYSA-N -1 0 321.333 -0.469 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@](O)(C3CC3)C2)CC1 ZINC001594916299 954755475 /nfs/dbraw/zinc/75/54/75/954755475.db2.gz MAQICIDRJWGFIM-OAHLLOKOSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCC3(CCNC3=O)CC2)C1 ZINC001594916280 954756504 /nfs/dbraw/zinc/75/65/04/954756504.db2.gz LTEZZYBELJVQLY-JTQLQIEISA-N -1 0 323.349 -0.952 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCC3(CCNC3=O)CC2)C1 ZINC001594916281 954756537 /nfs/dbraw/zinc/75/65/37/954756537.db2.gz LTEZZYBELJVQLY-SNVBAGLBSA-N -1 0 323.349 -0.952 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001593791205 954757992 /nfs/dbraw/zinc/75/79/92/954757992.db2.gz SDHQXEXIZQSYLM-UHFFFAOYSA-N -1 0 313.354 -0.660 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)CC1 ZINC001594916565 954759250 /nfs/dbraw/zinc/75/92/50/954759250.db2.gz NRSBJSWKDLNGQQ-SECBINFHSA-N -1 0 320.292 -0.462 20 0 DBADRM CNC(=O)CC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001593791582 954759994 /nfs/dbraw/zinc/75/99/94/954759994.db2.gz DQFFIHDNOWYDQW-VHSXEESVSA-N -1 0 308.338 -0.427 20 0 DBADRM CNC(=O)[C@H]1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC001593791827 954762855 /nfs/dbraw/zinc/76/28/55/954762855.db2.gz MIMHHUBUYUGCLM-JTQLQIEISA-N -1 0 313.354 -0.658 20 0 DBADRM CNC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001593791829 954763778 /nfs/dbraw/zinc/76/37/78/954763778.db2.gz MNVOXOAXLIQLCW-MRVPVSSYSA-N -1 0 320.305 -0.687 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CCO1 ZINC001593792425 954767529 /nfs/dbraw/zinc/76/75/29/954767529.db2.gz ZKLJGFFRZYVPQN-USEMIUTHSA-N -1 0 308.290 -0.036 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](OC(F)F)C2)C1 ZINC001594917661 954774422 /nfs/dbraw/zinc/77/44/22/954774422.db2.gz VYLISHANLQZJDL-SFYZADRCSA-N -1 0 306.265 -0.240 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3OCCC[C@H]3C2)C1 ZINC001594917690 954774818 /nfs/dbraw/zinc/77/48/18/954774818.db2.gz WKPAVUCJTBJZJV-QJPTWQEYSA-N -1 0 310.350 -0.053 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)[C@@]2(C(=O)[O-])CC2(C)C)n1 ZINC001593793288 954778749 /nfs/dbraw/zinc/77/87/49/954778749.db2.gz KUBAGQHNKTZFCP-ZDUSSCGKSA-N -1 0 311.294 -0.098 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC001593793410 954780101 /nfs/dbraw/zinc/78/01/01/954780101.db2.gz NUGIXGYSPUNPDH-UHFFFAOYSA-N -1 0 320.261 -0.192 20 0 DBADRM CNC(=O)CN(Cc1ccccc1)C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001593793443 954781615 /nfs/dbraw/zinc/78/16/15/954781615.db2.gz PJUZTGYEWCBVCD-GFCCVEGCSA-N -1 0 319.317 -0.009 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)n1 ZINC001593793442 954781975 /nfs/dbraw/zinc/78/19/75/954781975.db2.gz PNZFTLSLCUYOMY-HWKANZROSA-N -1 0 319.277 -0.033 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1C ZINC001593793763 954788596 /nfs/dbraw/zinc/78/85/96/954788596.db2.gz WMLAZWBXKLEGLH-QMMMGPOBSA-N -1 0 309.282 -0.894 20 0 DBADRM CC[C@@](C)(CO)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589450313 954793402 /nfs/dbraw/zinc/79/34/02/954793402.db2.gz BPZKCRXEMSGFKF-HZMBPMFUSA-N -1 0 300.355 -0.023 20 0 DBADRM CNC(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cn1 ZINC001593794359 954794297 /nfs/dbraw/zinc/79/42/97/954794297.db2.gz LSMZCLFEIMHOCQ-LLVKDONJSA-N -1 0 317.305 -0.270 20 0 DBADRM CNC(=O)c1c(C)[nH]nc1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001593794637 954798698 /nfs/dbraw/zinc/79/86/98/954798698.db2.gz RLJZYUNONCRWJJ-UHFFFAOYSA-N -1 0 304.266 -0.182 20 0 DBADRM CNC(=O)[C@H](CC(C)C)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593794734 954798989 /nfs/dbraw/zinc/79/89/89/954798989.db2.gz VXDCJBGMSOKKLQ-NSHDSACASA-N -1 0 323.349 -0.177 20 0 DBADRM CC[C@@](C)(CCO)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589452276 954811422 /nfs/dbraw/zinc/81/14/22/954811422.db2.gz RHAXYBAVCKJKMW-HZMBPMFUSA-N -1 0 300.355 -0.023 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC001593797835 954824664 /nfs/dbraw/zinc/82/46/64/954824664.db2.gz CRNYRNBWVHUFCL-GWCFXTLKSA-N -1 0 316.379 -0.052 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)C1(C(=O)[O-])CCSCC1 ZINC001593797946 954826633 /nfs/dbraw/zinc/82/66/33/954826633.db2.gz GNVSOPAEZHLBCP-UHFFFAOYSA-N -1 0 324.424 -0.360 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001593798201 954829705 /nfs/dbraw/zinc/82/97/05/954829705.db2.gz OBDDHYBCPWXURG-CABZTGNLSA-N -1 0 320.367 -0.840 20 0 DBADRM CNC(=O)c1cccc(C(=O)NCCOCCOCC(=O)[O-])c1 ZINC001593798590 954836314 /nfs/dbraw/zinc/83/63/14/954836314.db2.gz IEFWEDLGSVIJBF-UHFFFAOYSA-N -1 0 324.333 -0.106 20 0 DBADRM CC[C@H](C)[C@@H](OC)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001589457085 954836629 /nfs/dbraw/zinc/83/66/29/954836629.db2.gz FEKVOMZRXOSLAR-IVZWLZJFSA-N -1 0 307.368 -0.242 20 0 DBADRM CC[C@H](C)[C@H](OC)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001589457081 954836694 /nfs/dbraw/zinc/83/66/94/954836694.db2.gz FEKVOMZRXOSLAR-AEJSXWLSSA-N -1 0 307.368 -0.242 20 0 DBADRM CNC(=O)c1cccc(C(=O)Nc2cnn(CC(=O)[O-])c2)n1 ZINC001593798793 954840642 /nfs/dbraw/zinc/84/06/42/954840642.db2.gz YEFORQNZJMLJAJ-UHFFFAOYSA-N -1 0 303.278 -0.025 20 0 DBADRM CC(C)n1cc(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])nn1 ZINC000386346416 972046289 /nfs/dbraw/zinc/04/62/89/972046289.db2.gz KUFIFMUGFHLYAT-LLVKDONJSA-N -1 0 316.383 -0.067 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC(C)(C)CC(=O)[O-])cn1 ZINC001593802459 954858519 /nfs/dbraw/zinc/85/85/19/954858519.db2.gz YBWORVQKUFPMGG-UHFFFAOYSA-N -1 0 315.351 -0.027 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC001594935701 954858513 /nfs/dbraw/zinc/85/85/13/954858513.db2.gz VXXWYDLUTLCQOX-GHMZBOCLSA-N -1 0 318.395 -0.079 20 0 DBADRM COC(=O)[C@](C)(CO)NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593804093 954879008 /nfs/dbraw/zinc/87/90/08/954879008.db2.gz KIHFJSNABSOTNM-ZDMBXUJBSA-N -1 0 303.311 -0.704 20 0 DBADRM COC(=O)C(C)(C)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593804479 954884185 /nfs/dbraw/zinc/88/41/85/954884185.db2.gz UKUXLMRWUKPWDD-MRVPVSSYSA-N -1 0 300.311 -0.623 20 0 DBADRM O=C([O-])[C@H]1CCN(c2nnnn2C[C@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC001594940755 954886290 /nfs/dbraw/zinc/88/62/90/954886290.db2.gz NXBQHRXTLORLTA-ZDCRXTMVSA-N -1 0 309.326 -0.612 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)CCO1 ZINC001594941234 954893862 /nfs/dbraw/zinc/89/38/62/954893862.db2.gz CJPJWBYJRODGNO-NWDGAFQWSA-N -1 0 305.290 -0.113 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000386404260 972051145 /nfs/dbraw/zinc/05/11/45/972051145.db2.gz DZIVNYYFSALMFG-SECBINFHSA-N -1 0 300.355 -0.025 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC001594942352 954903904 /nfs/dbraw/zinc/90/39/04/954903904.db2.gz ICCDPWZSKWVNBH-NXEZZACHSA-N -1 0 305.352 -0.487 20 0 DBADRM COC(=O)[C@H](CNC(=O)[C@H]1CC(C(=O)[O-])=NO1)[C@@H]1CCOC1 ZINC001593806214 954908500 /nfs/dbraw/zinc/90/85/00/954908500.db2.gz GWZAMMCGCSPQCF-NQMVMOMDSA-N -1 0 314.294 -0.842 20 0 DBADRM CC[C@@H](C[C@H](C)O)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589466550 954909711 /nfs/dbraw/zinc/90/97/11/954909711.db2.gz HKSSBXLLZUPKNA-UWVGGRQHSA-N -1 0 321.395 -0.068 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCC[C@H]2CCCS2(=O)=O)CCO1 ZINC001594946164 954914217 /nfs/dbraw/zinc/91/42/17/954914217.db2.gz CHSMMLRETZYLGY-NXEZZACHSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCC[C@H]2CCCS2(=O)=O)CCO1 ZINC001594946169 954914486 /nfs/dbraw/zinc/91/44/86/954914486.db2.gz CHSMMLRETZYLGY-ZJUUUORDSA-N -1 0 320.367 -0.551 20 0 DBADRM COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC001593808212 954917906 /nfs/dbraw/zinc/91/79/06/954917906.db2.gz SZUUUZIVZFLMJJ-MNOVXSKESA-N -1 0 316.354 -0.524 20 0 DBADRM COC(=O)[C@H](CC1CCOCC1)NC(=O)[C@@H](OC)C(=O)[O-] ZINC001593808813 954920563 /nfs/dbraw/zinc/92/05/63/954920563.db2.gz XEGAXXDWNMYYSW-VHSXEESVSA-N -1 0 303.311 -0.440 20 0 DBADRM COC(=O)[C@H](O)C1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001593811401 954942858 /nfs/dbraw/zinc/94/28/58/954942858.db2.gz NLPLBXLKCNIIOV-LLVKDONJSA-N -1 0 323.305 -0.439 20 0 DBADRM COC(=O)[C@H](O)C1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001593811749 954948520 /nfs/dbraw/zinc/94/85/20/954948520.db2.gz RTIFPRKOHBDBJX-QMTHXVAHSA-N -1 0 315.322 -0.607 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NC[C@](C)(O)C(=O)[O-])CCC1 ZINC001593813068 954967388 /nfs/dbraw/zinc/96/73/88/954967388.db2.gz DQWTZBOQSRKPTK-JTQLQIEISA-N -1 0 309.340 -0.915 20 0 DBADRM COC(=O)[C@]1(OC)CCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001593813826 954978413 /nfs/dbraw/zinc/97/84/13/954978413.db2.gz IKZJXNLVIHZPOQ-ZANVPECISA-N -1 0 300.311 -0.859 20 0 DBADRM COC(=O)C1(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001593813933 954979373 /nfs/dbraw/zinc/97/93/73/954979373.db2.gz NBNHMVQQISXWJE-SECBINFHSA-N -1 0 312.322 -0.621 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cnn3ccccc23)CCO1 ZINC001594954970 954983712 /nfs/dbraw/zinc/98/37/12/954983712.db2.gz LWSCGEYFNHOWQW-JTQLQIEISA-N -1 0 311.319 -0.192 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CCC1 ZINC001593814281 954984740 /nfs/dbraw/zinc/98/47/40/954984740.db2.gz MMCMCESJLYZORP-QMMMGPOBSA-N -1 0 307.324 -0.803 20 0 DBADRM CN(CC(=O)NC1CC1)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000386522166 972061931 /nfs/dbraw/zinc/06/19/31/972061931.db2.gz VATJUTDEKDBJEI-UHFFFAOYSA-N -1 0 313.335 -0.321 20 0 DBADRM COC(=O)C1(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCSCC1 ZINC001593814836 954992696 /nfs/dbraw/zinc/99/26/96/954992696.db2.gz VGJBGHJCWLDTFB-QMMMGPOBSA-N -1 0 316.335 -0.229 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000386502827 972059640 /nfs/dbraw/zinc/05/96/40/972059640.db2.gz APIIRAHKGVGUSW-VIFPVBQESA-N -1 0 305.352 -0.608 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001593815074 954995675 /nfs/dbraw/zinc/99/56/75/954995675.db2.gz BDZVSQPRRINXCX-MMWGEVLESA-N -1 0 314.338 -0.195 20 0 DBADRM CCC(CC)(CNC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001589488892 955000716 /nfs/dbraw/zinc/00/07/16/955000716.db2.gz XIEDNHSLTPCISQ-UHFFFAOYSA-N -1 0 320.411 -0.276 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001593816016 955002349 /nfs/dbraw/zinc/00/23/49/955002349.db2.gz MBLFMNZDWNQZJA-HTQZYQBOSA-N -1 0 309.278 -0.829 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001594959764 955002372 /nfs/dbraw/zinc/00/23/72/955002372.db2.gz FAVHRTKQLLEFBY-LBWRMUMUSA-N -1 0 315.347 -0.880 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC1(Cl)Cl ZINC001594959799 955002970 /nfs/dbraw/zinc/00/29/70/955002970.db2.gz FWVKBCVIHUAASV-PHDIDXHHSA-N -1 0 316.162 -0.110 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(Cl)no1 ZINC001594960034 955005389 /nfs/dbraw/zinc/00/53/89/955005389.db2.gz MXGVFJJERDPOEL-YFKPBYRVSA-N -1 0 308.699 -0.348 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1c[nH]c2cccnc12 ZINC001594960027 955005738 /nfs/dbraw/zinc/00/57/38/955005738.db2.gz MTCAXDUKUAYFID-JTQLQIEISA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1c[nH]c2cccnc12 ZINC001594960028 955005990 /nfs/dbraw/zinc/00/59/90/955005990.db2.gz MTCAXDUKUAYFID-SNVBAGLBSA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccnc2ccnn21 ZINC001594960878 955014914 /nfs/dbraw/zinc/01/49/14/955014914.db2.gz GDTVGHYVAGUSEF-VIFPVBQESA-N -1 0 324.318 -0.947 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc2cccnn21 ZINC001594961534 955019131 /nfs/dbraw/zinc/01/91/31/955019131.db2.gz MBGCBCKSQRZXTD-LLVKDONJSA-N -1 0 323.330 -0.342 20 0 DBADRM CSc1nc(=O)[nH]c(C)c1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000386520928 972062116 /nfs/dbraw/zinc/06/21/16/972062116.db2.gz XSCALKPQNSINSK-LBPRGKRZSA-N -1 0 313.335 -0.126 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(O)cc1O ZINC001594962203 955021675 /nfs/dbraw/zinc/02/16/75/955021675.db2.gz PYXCXOJYWLRCTE-VIFPVBQESA-N -1 0 315.303 -0.578 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1nccn2ccnc12 ZINC001594963177 955029123 /nfs/dbraw/zinc/02/91/23/955029123.db2.gz YFQHWSBKIXVXQV-QMMMGPOBSA-N -1 0 324.318 -0.947 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1nnsc1Cl ZINC001594966098 955056614 /nfs/dbraw/zinc/05/66/14/955056614.db2.gz UBXOUXVNPINGQF-LURJTMIESA-N -1 0 311.772 -0.125 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CC(N2CCCC2=O)C1)C(=O)[O-] ZINC001589517109 955069210 /nfs/dbraw/zinc/06/92/10/955069210.db2.gz BRWASAHTLWTHNB-SECBINFHSA-N -1 0 311.338 -0.953 20 0 DBADRM CC[C@H](CNC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)C(=O)[O-] ZINC001589517306 955070404 /nfs/dbraw/zinc/07/04/04/955070404.db2.gz IWDVJWTUKZMHFX-NXEZZACHSA-N -1 0 315.370 -0.380 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)C(=O)[O-] ZINC001589517317 955070608 /nfs/dbraw/zinc/07/06/08/955070608.db2.gz IWDVJWTUKZMHFX-VHSXEESVSA-N -1 0 315.370 -0.380 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCSC[C@H]1CCO)C(=O)[O-] ZINC001589518023 955076839 /nfs/dbraw/zinc/07/68/39/955076839.db2.gz JKAZVEYNQNSIHV-VHSXEESVSA-N -1 0 318.395 -0.460 20 0 DBADRM COC(=O)C1CC2(C1)CN(Cn1ncn(C)c1=O)C[C@H]2C(=O)[O-] ZINC001593826061 955105378 /nfs/dbraw/zinc/10/53/78/955105378.db2.gz OITUAZUFLPTOCP-XIRUVYRFSA-N -1 0 324.337 -0.875 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)[C@@H](OC)C(=O)[O-])C1 ZINC001593827036 955111323 /nfs/dbraw/zinc/11/13/23/955111323.db2.gz ZSAXFSPYPJBJMG-IWSPIJDZSA-N -1 0 317.294 -0.961 20 0 DBADRM COC(=O)[C@@H]1CN(C)CCN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001593827500 955113648 /nfs/dbraw/zinc/11/36/48/955113648.db2.gz DCSJPJKMWLRFFK-SECBINFHSA-N -1 0 322.321 -0.648 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001593828705 955126861 /nfs/dbraw/zinc/12/68/61/955126861.db2.gz QVXHCHUPYVJOPC-AOOOYVTPSA-N -1 0 320.367 -0.431 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001593828976 955131673 /nfs/dbraw/zinc/13/16/73/955131673.db2.gz OLYGOTBBKXIOFW-JTQLQIEISA-N -1 0 318.326 -0.691 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1=O ZINC001593829279 955134380 /nfs/dbraw/zinc/13/43/80/955134380.db2.gz OSUNPKQTRDBJNI-AEJSXWLSSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@H]3CC(C(=O)[O-])=NO3)[C@@H]2C1 ZINC001593829265 955134680 /nfs/dbraw/zinc/13/46/80/955134680.db2.gz FVOMBMVYTXXORI-LPZLMQDUSA-N -1 0 310.306 -0.080 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N(C)CCCC(=O)[O-])C1=O ZINC001593829313 955135291 /nfs/dbraw/zinc/13/52/91/955135291.db2.gz PLLXGTGLPCAVLB-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N(C)CCCC(=O)[O-])C1=O ZINC001593829312 955135913 /nfs/dbraw/zinc/13/59/13/955135913.db2.gz PLLXGTGLPCAVLB-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM CC[C@H](CNC(=O)NC[C@]12COC(=O)N1CCOC2)C(=O)[O-] ZINC001589535480 955158165 /nfs/dbraw/zinc/15/81/65/955158165.db2.gz SENWSXVZWJCNFL-RNCFNFMXSA-N -1 0 315.326 -0.382 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1CC1 ZINC001593833290 955171203 /nfs/dbraw/zinc/17/12/03/955171203.db2.gz UHUFSGFNONCQFU-UWVGGRQHSA-N -1 0 320.367 -0.289 20 0 DBADRM CC[C@@H](CNC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001589550887 955214873 /nfs/dbraw/zinc/21/48/73/955214873.db2.gz MCFRCIVEDLBODF-JGVFFNPUSA-N -1 0 311.298 -0.773 20 0 DBADRM CCn1cnc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)c1 ZINC000386791372 972080225 /nfs/dbraw/zinc/08/02/25/972080225.db2.gz MYYCIJKGRNBVEW-UHFFFAOYSA-N -1 0 303.340 -0.497 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC000386802700 972081741 /nfs/dbraw/zinc/08/17/41/972081741.db2.gz ONNUQSAHQSXKFQ-CQSZACIVSA-N -1 0 303.274 -0.003 20 0 DBADRM Cc1noc(CCNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001594499812 955316533 /nfs/dbraw/zinc/31/65/33/955316533.db2.gz GWGHVZQLVISCCD-SECBINFHSA-N -1 0 310.310 -0.640 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001594500863 955319991 /nfs/dbraw/zinc/31/99/91/955319991.db2.gz YGNQEKRVSBRSEQ-UHFFFAOYSA-N -1 0 310.310 -0.640 20 0 DBADRM COC(=O)C[C@@H]1COCCN1CN1C[C@H](C(=O)[O-])CC1=O ZINC001593837713 955326286 /nfs/dbraw/zinc/32/62/86/955326286.db2.gz YGCIJOGYVHYKDX-NXEZZACHSA-N -1 0 300.311 -0.859 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CSCN1C(C)=O ZINC001593839462 955342855 /nfs/dbraw/zinc/34/28/55/955342855.db2.gz ISVLYVKYOYHBGY-SECBINFHSA-N -1 0 318.351 -0.616 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001593839817 955349819 /nfs/dbraw/zinc/34/98/19/955349819.db2.gz XJZNOQAGDRECEG-NSHDSACASA-N -1 0 314.338 -0.279 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1cccc2ncnn21 ZINC001593839902 955351625 /nfs/dbraw/zinc/35/16/25/955351625.db2.gz BZVJHFAXUDGTND-UHFFFAOYSA-N -1 0 306.278 -0.181 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1nc(C)c(C)[nH]c1=O ZINC001593840414 955356437 /nfs/dbraw/zinc/35/64/37/955356437.db2.gz XLJCMWYXPCPWEB-UHFFFAOYSA-N -1 0 311.294 -0.523 20 0 DBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001594506632 955361712 /nfs/dbraw/zinc/36/17/12/955361712.db2.gz QDVFQSSONAIHSU-LLVKDONJSA-N -1 0 305.308 -0.443 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589006471 955365819 /nfs/dbraw/zinc/36/58/19/955365819.db2.gz GPQFCRIQHVBXKH-IUCAKERBSA-N -1 0 314.342 -0.985 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589006474 955365857 /nfs/dbraw/zinc/36/58/57/955365857.db2.gz GPQFCRIQHVBXKH-RKDXNWHRSA-N -1 0 314.342 -0.985 20 0 DBADRM COC(=O)CCN(CC(OC)OC)C(=O)[C@H](OC)C(=O)[O-] ZINC001593843401 955385669 /nfs/dbraw/zinc/38/56/69/955385669.db2.gz YLYYUHYBLVWEDM-JTQLQIEISA-N -1 0 307.299 -0.903 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001593844827 955399456 /nfs/dbraw/zinc/39/94/56/955399456.db2.gz LDYGITDGHAYBRB-OQPBUACISA-N -1 0 300.311 -0.717 20 0 DBADRM C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589013317 955399816 /nfs/dbraw/zinc/39/98/16/955399816.db2.gz UTXIRAPDNUORKE-ZJUUUORDSA-N -1 0 324.337 -0.163 20 0 DBADRM C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589013315 955400316 /nfs/dbraw/zinc/40/03/16/955400316.db2.gz UTXIRAPDNUORKE-UWVGGRQHSA-N -1 0 324.337 -0.163 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001593844921 955401977 /nfs/dbraw/zinc/40/19/77/955401977.db2.gz OEOVHQXQHYZWER-LLVKDONJSA-N -1 0 300.311 -0.717 20 0 DBADRM C[C@@H](CCO)CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589015916 955438249 /nfs/dbraw/zinc/43/82/49/955438249.db2.gz ZWUDDCKCLUNCAN-GHMZBOCLSA-N -1 0 300.355 -0.166 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@H](c2nccn2C)C1)C(=O)[O-] ZINC001589019208 955449591 /nfs/dbraw/zinc/44/95/91/955449591.db2.gz BJWWPXCOPLEARR-MNOVXSKESA-N -1 0 322.365 -0.085 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NCC[C@@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC001589019513 955451942 /nfs/dbraw/zinc/45/19/42/955451942.db2.gz GHMQYCJEDAVWQI-NXEZZACHSA-N -1 0 313.354 -0.850 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1C[C@H](O)CC(F)(F)C1)C(=O)[O-] ZINC001589019469 955452301 /nfs/dbraw/zinc/45/23/01/955452301.db2.gz DPUYTPMMRUPDBR-HTQZYQBOSA-N -1 0 308.281 -0.606 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1Cc1cc(C(=O)[O-])nn1C ZINC001593850668 955454255 /nfs/dbraw/zinc/45/42/55/955454255.db2.gz ONDVVIJNGREXJV-LLVKDONJSA-N -1 0 324.337 -0.628 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)[O-])nc1 ZINC001593850904 955456342 /nfs/dbraw/zinc/45/63/42/955456342.db2.gz VPOLRZQPJFPBNZ-SSDOTTSWSA-N -1 0 310.262 -0.386 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NCCC1(C)OCCO1)C(=O)[O-] ZINC001589019713 955457545 /nfs/dbraw/zinc/45/75/45/955457545.db2.gz IVHPLJINKANUBN-SECBINFHSA-N -1 0 302.327 -0.565 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCCC(=O)[O-] ZINC001593851054 955457813 /nfs/dbraw/zinc/45/78/13/955457813.db2.gz XIEKGZRTIKIYNE-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCn2cnnc2[C@@H]1C)C(=O)[O-] ZINC001589019768 955458395 /nfs/dbraw/zinc/45/83/95/955458395.db2.gz JOFUDANMHNIFIO-BDAKNGLRSA-N -1 0 309.326 -0.640 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1nnn[n-]1 ZINC001589019870 955460384 /nfs/dbraw/zinc/46/03/84/955460384.db2.gz WWPBMICZKSBNNW-IUCAKERBSA-N -1 0 324.341 -0.915 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N(C)C[C@H]1CCC[C@@H]1O)C(=O)[O-] ZINC001589019964 955461860 /nfs/dbraw/zinc/46/18/60/955461860.db2.gz MBZBSYDLUXZGOO-MXWKQRLJSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@H](CC(N)=O)C1)C(=O)[O-] ZINC001589020332 955464119 /nfs/dbraw/zinc/46/41/19/955464119.db2.gz RQMVMCOHMCHHSH-VHSXEESVSA-N -1 0 313.354 -0.721 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@H](OCCO)C1)C(=O)[O-] ZINC001589020795 955468784 /nfs/dbraw/zinc/46/87/84/955468784.db2.gz WTQSWMSKQSSAHW-MNOVXSKESA-N -1 0 316.354 -0.835 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@]12CCOC2=O)C(=O)[O-] ZINC001589021227 955471700 /nfs/dbraw/zinc/47/17/00/955471700.db2.gz YYCXLJMORUEJIA-LKFCYVNXSA-N -1 0 312.322 -0.526 20 0 DBADRM C[C@H](CN(C)C(=O)NC1CC(NS(C)(=O)=O)C1)C(=O)[O-] ZINC001589021442 955476027 /nfs/dbraw/zinc/47/60/27/955476027.db2.gz WKZNEZFZODDBMU-AFPNSQJFSA-N -1 0 307.372 -0.571 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])n1 ZINC001593855362 955492390 /nfs/dbraw/zinc/49/23/90/955492390.db2.gz BGKHSTQJCKBULK-LLVKDONJSA-N -1 0 300.271 -0.987 20 0 DBADRM C[C@H](CN(C)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001589023501 955493028 /nfs/dbraw/zinc/49/30/28/955493028.db2.gz LIAPYCMYJHOPET-ZJUUUORDSA-N -1 0 321.399 -0.370 20 0 DBADRM COC(=O)N1CC(NC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001593855574 955496037 /nfs/dbraw/zinc/49/60/37/955496037.db2.gz CJOHFHACMXXYAB-UHFFFAOYSA-N -1 0 322.277 -0.715 20 0 DBADRM C[C@H](CN(C)C(=O)NCC(C)(C)CS(N)(=O)=O)C(=O)[O-] ZINC001589023860 955496352 /nfs/dbraw/zinc/49/63/52/955496352.db2.gz VETWQLQORSYKOX-MRVPVSSYSA-N -1 0 309.388 -0.337 20 0 DBADRM Cn1cc(C(=O)N2CCC(C)(C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC001594526162 955502805 /nfs/dbraw/zinc/50/28/05/955502805.db2.gz WWVZPTLLOMOILU-UHFFFAOYSA-N -1 0 309.322 -0.589 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CCCO2)C[C@H](C)O1 ZINC001593860808 955539196 /nfs/dbraw/zinc/53/91/96/955539196.db2.gz JCXFXQVVECZAFE-RVBZMBCESA-N -1 0 301.295 -0.591 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)[C@@H]3CCC(=O)N3)C2)cn1 ZINC001594531925 955542066 /nfs/dbraw/zinc/54/20/66/955542066.db2.gz OOECGLBNVVMJJX-SCVCMEIPSA-N -1 0 320.349 -0.285 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cn1 ZINC001594532067 955542273 /nfs/dbraw/zinc/54/22/73/955542273.db2.gz OZAIWNNCAIYBRR-STQMWFEESA-N -1 0 319.317 -0.029 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)C3(O)COC3)C2)cn1 ZINC001594532858 955547379 /nfs/dbraw/zinc/54/73/79/955547379.db2.gz WGBCROHWDIEENV-ZJUUUORDSA-N -1 0 309.322 -0.802 20 0 DBADRM COC(=O)[C@@H](NCC(=O)NCC(=O)[O-])c1cccc(OC)c1 ZINC001593861462 955550928 /nfs/dbraw/zinc/55/09/28/955550928.db2.gz WEUSMYXBCUWNAA-ZDUSSCGKSA-N -1 0 310.306 -0.300 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CCOC[C@H]2C(=O)[O-])C[C@H]1C ZINC001593862880 955560897 /nfs/dbraw/zinc/56/08/97/955560897.db2.gz XVBLAHNQTJIFHS-UTINFBMNSA-N -1 0 301.295 -0.735 20 0 DBADRM COC(=O)[C@]12CN(C(=O)COCC(=O)[O-])C[C@H]1COCC2 ZINC001593863700 955566307 /nfs/dbraw/zinc/56/63/07/955566307.db2.gz PQGQNPDLKJRYEL-TVQRCGJNSA-N -1 0 301.295 -0.874 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)c3cn(C)nn3)C2)cn1 ZINC001594535278 955567559 /nfs/dbraw/zinc/56/75/59/955567559.db2.gz CFVZYQKOBIDUAP-ZJUUUORDSA-N -1 0 318.337 -0.121 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])C1 ZINC001593865252 955572363 /nfs/dbraw/zinc/57/23/63/955572363.db2.gz IRIMHDGWQGCXHP-HRDYMLBCSA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)[C@@]1(NC(=O)c2cccc(OCC(=O)[O-])c2)C[C@H](O)C1 ZINC001593865240 955572842 /nfs/dbraw/zinc/57/28/42/955572842.db2.gz IKCZNMMIMCQKGF-AVCCJPFPSA-N -1 0 323.301 -0.054 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001593865571 955575023 /nfs/dbraw/zinc/57/50/23/955575023.db2.gz OSNZSLBXHLDANU-AOOOYVTPSA-N -1 0 303.311 -0.580 20 0 DBADRM C[C@@H](CN(C)c1nnnn1CCCN1CCCC1=O)C(=O)[O-] ZINC001589039161 955575573 /nfs/dbraw/zinc/57/55/73/955575573.db2.gz XVUHSJMGCKZUFR-JTQLQIEISA-N -1 0 310.358 -0.158 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1cccc2c1CCNC2=O)C(=O)[O-] ZINC001589039758 955585039 /nfs/dbraw/zinc/58/50/39/955585039.db2.gz IECWMIFATSQSOT-MRVPVSSYSA-N -1 0 319.317 -0.252 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N(C)CCC(=O)[O-])CC1(C)OCCO1 ZINC001589039870 955586125 /nfs/dbraw/zinc/58/61/25/955586125.db2.gz SSFUTQCTJZGNLH-SNVBAGLBSA-N -1 0 316.354 -0.175 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)Cn3cncn3)C2)cn1 ZINC001594538059 955595772 /nfs/dbraw/zinc/59/57/72/955595772.db2.gz DQLYBNIUKJXZCL-MNOVXSKESA-N -1 0 318.337 -0.272 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)ccn1 ZINC001593867749 955600725 /nfs/dbraw/zinc/60/07/25/955600725.db2.gz LLZSKUCPVSKDFE-UHFFFAOYSA-N -1 0 321.289 -0.763 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1ncon1 ZINC001589043906 955604014 /nfs/dbraw/zinc/60/40/14/955604014.db2.gz BEONULRLYDGHQT-BDAKNGLRSA-N -1 0 310.310 -0.388 20 0 DBADRM N#Cc1ccsc1NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000387210130 972111310 /nfs/dbraw/zinc/11/13/10/972111310.db2.gz FWRPVPCRICKEJV-VIFPVBQESA-N -1 0 322.346 -0.167 20 0 DBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)[C@H]3CCC(=O)N3)C2)cn1 ZINC001594539645 955621966 /nfs/dbraw/zinc/62/19/66/955621966.db2.gz OOECGLBNVVMJJX-JBLDHEPKSA-N -1 0 320.349 -0.285 20 0 DBADRM COCCn1nc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)ccc1=O ZINC000387248624 972113549 /nfs/dbraw/zinc/11/35/49/972113549.db2.gz RQROAYMYSSXAFG-NXEZZACHSA-N -1 0 309.322 -0.318 20 0 DBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)[C@@H]3COC(=O)N3)C2)cn1 ZINC001594540090 955630477 /nfs/dbraw/zinc/63/04/77/955630477.db2.gz POYQFXXICAGWMA-QXEWZRGKSA-N -1 0 322.321 -0.455 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)on1 ZINC001593875249 955660115 /nfs/dbraw/zinc/66/01/15/955660115.db2.gz CWGMFKWMHGXLEI-SSDOTTSWSA-N -1 0 318.307 -0.054 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])n[nH]1 ZINC001593875383 955661375 /nfs/dbraw/zinc/66/13/75/955661375.db2.gz OGLPPAXPMADOSK-HTRCEHHLSA-N -1 0 317.323 -0.178 20 0 DBADRM Cn1cc(CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c(=O)[nH]c1=O ZINC001594542681 955665590 /nfs/dbraw/zinc/66/55/90/955665590.db2.gz ICAHFMSQVWPCJC-CQSZACIVSA-N -1 0 307.306 -0.087 20 0 DBADRM COC(=O)c1ccc(C(=O)OCC(=O)NCC(=O)[O-])c(F)c1 ZINC001593876879 955682385 /nfs/dbraw/zinc/68/23/85/955682385.db2.gz LXNTVGRMYKLFLV-UHFFFAOYSA-N -1 0 313.237 -0.030 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)[C@]3(C(=O)[O-])CCCO3)C2=O)cn1 ZINC001594545897 955684430 /nfs/dbraw/zinc/68/44/30/955684430.db2.gz JIANBUPNUFKYQC-YGRLFVJLSA-N -1 0 322.321 -0.725 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cn1 ZINC001594547910 955692154 /nfs/dbraw/zinc/69/21/54/955692154.db2.gz CTIKMILIBMIUDA-WDEREUQCSA-N -1 0 306.322 -0.072 20 0 DBADRM Cn1cc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c(=O)n(C)c1=O ZINC001594548719 955701955 /nfs/dbraw/zinc/70/19/55/955701955.db2.gz SZPAZHSUUCYEKR-CQSZACIVSA-N -1 0 307.306 -0.166 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594549745 955715154 /nfs/dbraw/zinc/71/51/54/955715154.db2.gz SIQVQHLAXHJELH-KOLCDFICSA-N -1 0 324.333 -0.023 20 0 DBADRM Cn1cc(OC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)cn1 ZINC001594549826 955716838 /nfs/dbraw/zinc/71/68/38/955716838.db2.gz VVAIBXYLOCPVKP-UHFFFAOYSA-N -1 0 302.308 -0.395 20 0 DBADRM COC(=O)c1cccc(NC(=O)C(=O)NCCCC(=O)[O-])n1 ZINC001593885147 955740637 /nfs/dbraw/zinc/74/06/37/955740637.db2.gz LIXUKORMTTUMIS-UHFFFAOYSA-N -1 0 309.278 -0.212 20 0 DBADRM C[C@@H](CNC(=O)c1cccn(CC(=O)[O-])c1=O)S(C)(=O)=O ZINC001589064375 955743190 /nfs/dbraw/zinc/74/31/90/955743190.db2.gz ZHACRBBCDBTAJK-QMMMGPOBSA-N -1 0 316.335 -0.904 20 0 DBADRM COCCn1nc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])ccc1=O ZINC000387472562 972124446 /nfs/dbraw/zinc/12/44/46/972124446.db2.gz UHKHTKBMHPVACN-ZJUUUORDSA-N -1 0 309.322 -0.127 20 0 DBADRM COC(=O)c1cccn(CC(=O)Nc2n[nH]cc2C(=O)[O-])c1=O ZINC001593888730 955768381 /nfs/dbraw/zinc/76/83/81/955768381.db2.gz OPFHUINVLFHIDZ-UHFFFAOYSA-N -1 0 320.261 -0.305 20 0 DBADRM Cn1cnc(CCCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001594557839 955780649 /nfs/dbraw/zinc/78/06/49/955780649.db2.gz MORMAXYMUNSRRD-HZMBPMFUSA-N -1 0 323.353 -0.510 20 0 DBADRM Cn1cnc(CCNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c1 ZINC001594557884 955782690 /nfs/dbraw/zinc/78/26/90/955782690.db2.gz OXFZTRREFQHRSM-NSHDSACASA-N -1 0 308.338 -0.598 20 0 DBADRM COC(=O)c1cn(CCNC(=O)N(C)C[C@@H](C)C(=O)[O-])nn1 ZINC001593891538 955787539 /nfs/dbraw/zinc/78/75/39/955787539.db2.gz YVQFCNCCPRRPLO-MRVPVSSYSA-N -1 0 313.314 -0.573 20 0 DBADRM COC(=O)c1cn([C@@H]2CCN(C(=O)[C@@H](C(=O)[O-])C3CC3)C2)nn1 ZINC001593891612 955789362 /nfs/dbraw/zinc/78/93/62/955789362.db2.gz LBJYIEJBIPEDRN-KOLCDFICSA-N -1 0 322.321 -0.051 20 0 DBADRM Cn1cnnc1S(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001594559280 955793941 /nfs/dbraw/zinc/79/39/41/955793941.db2.gz FSTXEXIAWURHDM-VIFPVBQESA-N -1 0 311.323 -0.816 20 0 DBADRM Cn1cnnc1CCCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001594559731 955796770 /nfs/dbraw/zinc/79/67/70/955796770.db2.gz NLLDNLQBNHHLKP-SNVBAGLBSA-N -1 0 323.353 -0.813 20 0 DBADRM Cn1nc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1OC(F)F ZINC001594562489 955807586 /nfs/dbraw/zinc/80/75/86/955807586.db2.gz AUJGIRHLEHCRSB-NSHDSACASA-N -1 0 305.237 -0.005 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001589075921 955810751 /nfs/dbraw/zinc/81/07/51/955810751.db2.gz BGICBHHNPULFFY-IONNQARKSA-N -1 0 303.340 -0.657 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001589076250 955815313 /nfs/dbraw/zinc/81/53/13/955815313.db2.gz IGKGZDRSVSRBCM-PTRXPTGYSA-N -1 0 305.352 -0.773 20 0 DBADRM COC(=O)c1nc(Cl)n([C@H]2CCN(CC(=O)[O-])C2=O)n1 ZINC001593894815 955818915 /nfs/dbraw/zinc/81/89/15/955818915.db2.gz HBUCSJQVUCRMES-YFKPBYRVSA-N -1 0 302.674 -0.424 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001594564465 955826014 /nfs/dbraw/zinc/82/60/14/955826014.db2.gz SMLZBFWYMOZGPE-UHFFFAOYSA-N -1 0 306.322 -0.187 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC1CN(c2ccncn2)C1 ZINC001594565057 955837186 /nfs/dbraw/zinc/83/71/86/955837186.db2.gz RENZBCSFKOVWRL-UHFFFAOYSA-N -1 0 302.294 -0.473 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@H](CO)Cc1ccncc1 ZINC001594565160 955838617 /nfs/dbraw/zinc/83/86/17/955838617.db2.gz WQKCJRVKAAOJHI-JTQLQIEISA-N -1 0 304.306 -0.153 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001594565665 955843366 /nfs/dbraw/zinc/84/33/66/955843366.db2.gz KHZIMPUDQQCNDC-VHSXEESVSA-N -1 0 308.338 -0.289 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCc1ncc2c(n1)CCOC2 ZINC001594569260 955864131 /nfs/dbraw/zinc/86/41/31/955864131.db2.gz VTFPXXVEKZDSHF-UHFFFAOYSA-N -1 0 317.305 -0.089 20 0 DBADRM C[C@H](Cc1ccncc1)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001589082738 955873892 /nfs/dbraw/zinc/87/38/92/955873892.db2.gz WESGVZNTTBODNW-ZYHUDNBSSA-N -1 0 321.333 -0.559 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001593901864 955876499 /nfs/dbraw/zinc/87/64/99/955876499.db2.gz GUGZHGAAVKSEOL-RNFRBKRXSA-N -1 0 312.244 -0.387 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CC2(CCOCC2)CC[C@H]1CO ZINC001593901977 955879509 /nfs/dbraw/zinc/87/95/09/955879509.db2.gz JUMQIPXIELXVGY-WDEREUQCSA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCSC[C@H]2CO)CC1 ZINC000387730952 972135595 /nfs/dbraw/zinc/13/55/95/972135595.db2.gz UMPNMVRIMQTORY-LLVKDONJSA-N -1 0 302.396 -0.281 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC([C@@]2(C)COC(=O)N2)CC1 ZINC001593902563 955886769 /nfs/dbraw/zinc/88/67/69/955886769.db2.gz TYOLYAFEWSSEDY-TVQRCGJNSA-N -1 0 300.311 -0.177 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CCC(S(N)(=O)=O)CC1 ZINC001594571784 955891708 /nfs/dbraw/zinc/89/17/08/955891708.db2.gz KDBQMYRQGNCLQY-UHFFFAOYSA-N -1 0 302.356 -0.629 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1 ZINC001593904265 955893846 /nfs/dbraw/zinc/89/38/46/955893846.db2.gz DKJPWXZQXVAUHY-VIFPVBQESA-N -1 0 311.342 -0.324 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C1(CO)CC1 ZINC001589086007 955899639 /nfs/dbraw/zinc/89/96/39/955899639.db2.gz CZCPDDBJITUTSG-MRVPVSSYSA-N -1 0 310.310 -0.817 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)[C@H]1CCCOC1 ZINC001589086191 955901032 /nfs/dbraw/zinc/90/10/32/955901032.db2.gz HLTXUVGJHDSAJF-UWVGGRQHSA-N -1 0 324.337 -0.163 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C1(CO)CC1 ZINC001589086143 955901554 /nfs/dbraw/zinc/90/15/54/955901554.db2.gz FSXNZJKPWDCKJQ-QMMMGPOBSA-N -1 0 307.306 -0.005 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CC[S@](=O)C[C@H]1c1cnn(C)c1 ZINC001593905107 955902772 /nfs/dbraw/zinc/90/27/72/955902772.db2.gz CYEHLXDXEZICSI-FRGLDACASA-N -1 0 315.351 -0.848 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC001593905131 955902961 /nfs/dbraw/zinc/90/29/61/955902961.db2.gz DOWXGFFEROHHCJ-GFCCVEGCSA-N -1 0 321.333 -0.466 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)c1ccn(C)n1 ZINC001589086506 955905101 /nfs/dbraw/zinc/90/51/01/955905101.db2.gz ORYDMCYBHHQKSX-MRVPVSSYSA-N -1 0 320.309 -0.483 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1nnnn1C1CC1 ZINC001589086670 955907402 /nfs/dbraw/zinc/90/74/02/955907402.db2.gz ROJBJHSINJKJJA-HTQZYQBOSA-N -1 0 322.325 -0.882 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)c2cccn2C)CC1 ZINC001593905905 955913084 /nfs/dbraw/zinc/91/30/84/955913084.db2.gz LRXQXNNPOVMQSO-NSHDSACASA-N -1 0 309.322 -0.591 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1 ZINC001593906100 955915729 /nfs/dbraw/zinc/91/57/29/955915729.db2.gz PFIJMHYOSJHWKJ-UWVGGRQHSA-N -1 0 305.352 -0.488 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001593906437 955921643 /nfs/dbraw/zinc/92/16/43/955921643.db2.gz XDQWIYVBQXXLFY-TUAOUCFPSA-N -1 0 306.318 -0.187 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C ZINC001593906741 955926787 /nfs/dbraw/zinc/92/67/87/955926787.db2.gz GGYZPMNOLOPYFQ-HTQZYQBOSA-N -1 0 306.315 -0.912 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C ZINC001593906743 955927086 /nfs/dbraw/zinc/92/70/86/955927086.db2.gz GGYZPMNOLOPYFQ-SFYZADRCSA-N -1 0 306.315 -0.912 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C1(C)C ZINC001593907117 955934736 /nfs/dbraw/zinc/93/47/36/955934736.db2.gz RQEHYROZGCXEGX-MXWKQRLJSA-N -1 0 300.355 -0.299 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1nncn1C ZINC001589091622 955946377 /nfs/dbraw/zinc/94/63/77/955946377.db2.gz FDIFNOMWPVHKRH-DTWKUNHWSA-N -1 0 309.326 -0.685 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCCc1ncn(C)c1Br ZINC001593907896 955946779 /nfs/dbraw/zinc/94/67/79/955946779.db2.gz BHMLZXZNLOECRY-SSDOTTSWSA-N -1 0 320.143 -0.059 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCCC1N=NC(=S)N1C1CC1 ZINC001593908212 955949747 /nfs/dbraw/zinc/94/97/47/955949747.db2.gz FMGXLKIVGSLZQW-QMMMGPOBSA-N -1 0 300.340 -0.340 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC001593908471 955952308 /nfs/dbraw/zinc/95/23/08/955952308.db2.gz YRZMSQDOOQYADY-GUBZILKMSA-N -1 0 322.383 -0.690 20 0 DBADRM C[C@H]([C@H](C)NC(=O)[C@]1(C(=O)[O-])CCCO1)N1CCOCC1 ZINC001589092146 955955032 /nfs/dbraw/zinc/95/50/32/955955032.db2.gz ZWXFFYACTGTBEP-WDMOLILDSA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1cnn(C)c1 ZINC001589092408 955955832 /nfs/dbraw/zinc/95/58/32/955955832.db2.gz OMFACLRFNRUMLA-ONGXEEELSA-N -1 0 308.338 -0.080 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN1CCN(c2nccnn2)CC1 ZINC001594580809 955967424 /nfs/dbraw/zinc/96/74/24/955967424.db2.gz FLXTZCOOHKRGHE-UHFFFAOYSA-N -1 0 303.326 -0.375 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN1CCC[C@H](CS(N)(=O)=O)C1 ZINC001594581239 955972861 /nfs/dbraw/zinc/97/28/61/955972861.db2.gz OQEMRMBVOWGLRQ-VIFPVBQESA-N -1 0 316.383 -0.381 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001593912192 955977066 /nfs/dbraw/zinc/97/70/66/955977066.db2.gz ZKZMZPOINBTTFT-XVKPBYJWSA-N -1 0 316.335 -0.389 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC001593912682 955983447 /nfs/dbraw/zinc/98/34/47/955983447.db2.gz LNBUYHQEDXNEPR-SKDRFNHKSA-N -1 0 320.301 -0.070 20 0 DBADRM Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001594586209 955999766 /nfs/dbraw/zinc/99/97/66/955999766.db2.gz NHVJNJDYCGBVHV-KOLCDFICSA-N -1 0 320.349 -0.153 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O)CC2 ZINC001594586107 955999836 /nfs/dbraw/zinc/99/98/36/955999836.db2.gz JXWQNKAMWMWPNR-CABZTGNLSA-N -1 0 321.333 -0.246 20 0 DBADRM Cn1ncc(Cl)c1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001594586350 956001852 /nfs/dbraw/zinc/00/18/52/956001852.db2.gz IXNDVCNDRKEMDD-ZETCQYMHSA-N -1 0 301.686 -0.084 20 0 DBADRM CN(C)c1ccc(C(=O)NCCn2cc(C(=O)[O-])nn2)cn1 ZINC000387981133 972151576 /nfs/dbraw/zinc/15/15/76/972151576.db2.gz PVGWCFKBSFJNPG-UHFFFAOYSA-N -1 0 304.310 -0.133 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001593918234 956047934 /nfs/dbraw/zinc/04/79/34/956047934.db2.gz FMFUHGNVPBEVFS-LBPRGKRZSA-N -1 0 322.383 -0.642 20 0 DBADRM Cn1nccc1[C@@H](NS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2)C(=O)[O-] ZINC001594592893 956064368 /nfs/dbraw/zinc/06/43/68/956064368.db2.gz MBOUOOVZLSRKGS-CDEVMZEPSA-N -1 0 315.351 -0.215 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCCN(CC(=O)N(C)C)CC1 ZINC001593921962 956087082 /nfs/dbraw/zinc/08/70/82/956087082.db2.gz DSEFRGZJUHATBN-AWEZNQCLSA-N -1 0 315.370 -0.901 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)Nc1ccn(CC(=O)[O-])n1)CC2 ZINC001594596199 956091772 /nfs/dbraw/zinc/09/17/72/956091772.db2.gz DTEZFJKTHUIUGT-QMMMGPOBSA-N -1 0 304.310 -0.160 20 0 DBADRM Cn1nnc(CNC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)n1 ZINC001594596219 956091832 /nfs/dbraw/zinc/09/18/32/956091832.db2.gz FSEYDHPOZTXUEQ-UHFFFAOYSA-N -1 0 308.302 -0.452 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001593922375 956092859 /nfs/dbraw/zinc/09/28/59/956092859.db2.gz MEIMUIYOWIXULN-MFKMUULPSA-N -1 0 312.326 -0.576 20 0 DBADRM Cn1nccc1CN1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001594596618 956096700 /nfs/dbraw/zinc/09/67/00/956096700.db2.gz GHKLXCKKAWKUCE-CYBMUJFWSA-N -1 0 321.381 -0.777 20 0 DBADRM Cn1nccc1CCOC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001594596652 956098391 /nfs/dbraw/zinc/09/83/91/956098391.db2.gz HKVFCGWWUGTAOG-NSHDSACASA-N -1 0 309.322 -0.171 20 0 DBADRM Cn1nnc(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)n1 ZINC001594596836 956100869 /nfs/dbraw/zinc/10/08/69/956100869.db2.gz QBCBJRMBJGTIAF-UHFFFAOYSA-N -1 0 304.266 -0.837 20 0 DBADRM Cn1nccc1CCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001594597634 956107594 /nfs/dbraw/zinc/10/75/94/956107594.db2.gz YBFCMOAAXLJBOF-CQSZACIVSA-N -1 0 308.338 -0.598 20 0 DBADRM Cn1nccc1CCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001594597631 956107622 /nfs/dbraw/zinc/10/76/22/956107622.db2.gz YBFCMOAAXLJBOF-AWEZNQCLSA-N -1 0 308.338 -0.598 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001593924756 956107819 /nfs/dbraw/zinc/10/78/19/956107819.db2.gz CWGPJQNUWIDYOQ-LNLATYFQSA-N -1 0 322.383 -0.690 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001594598512 956113012 /nfs/dbraw/zinc/11/30/12/956113012.db2.gz SETIDVDGQTVKCN-SECBINFHSA-N -1 0 311.323 -0.816 20 0 DBADRM Cn1nccc1NC(=O)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001594598774 956115560 /nfs/dbraw/zinc/11/55/60/956115560.db2.gz BFVLQHQYWHXHPT-SNVBAGLBSA-N -1 0 317.305 -0.434 20 0 DBADRM Cn1ncnc1CCCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594598764 956115762 /nfs/dbraw/zinc/11/57/62/956115762.db2.gz AVCGTPWHCFQMLB-JTQLQIEISA-N -1 0 323.353 -0.813 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC001594599028 956118052 /nfs/dbraw/zinc/11/80/52/956118052.db2.gz GZVQIJHXCQHLAO-UHFFFAOYSA-N -1 0 311.342 -0.471 20 0 DBADRM Cn1nnc(Br)c1COC(=O)COCC(=O)[O-] ZINC001594599081 956118440 /nfs/dbraw/zinc/11/84/40/956118440.db2.gz KNIWQFMCQONZGZ-UHFFFAOYSA-N -1 0 308.088 -0.278 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC001594599049 956118457 /nfs/dbraw/zinc/11/84/57/956118457.db2.gz ITHRUQQBDFESGE-CYBMUJFWSA-N -1 0 306.322 -0.344 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC001594599406 956120472 /nfs/dbraw/zinc/12/04/72/956120472.db2.gz UEEKVMOEFFJMSS-IHWYPQMZSA-N -1 0 318.289 -0.151 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCC[S@](=O)CC(F)(F)F ZINC001593925768 956123725 /nfs/dbraw/zinc/12/37/25/956123725.db2.gz GFJPGBGBIAECPZ-RLBGWGEZSA-N -1 0 305.274 -0.097 20 0 DBADRM Cn1nnnc1CCNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001594602189 956143244 /nfs/dbraw/zinc/14/32/44/956143244.db2.gz SFCDEDWFZCAURV-UHFFFAOYSA-N -1 0 305.294 -0.354 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[nH]2)C1 ZINC001593927557 956145310 /nfs/dbraw/zinc/14/53/10/956145310.db2.gz LNLDIVBMKNNJIL-OTYXRUKQSA-N -1 0 324.337 -0.325 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001593928287 956152527 /nfs/dbraw/zinc/15/25/27/956152527.db2.gz WOXACKNLBVGQPN-GGLDHJKQSA-N -1 0 319.379 -0.052 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1cccc(NC(=O)C(N)=O)c1 ZINC001593930741 956175827 /nfs/dbraw/zinc/17/58/27/956175827.db2.gz FCAJFHLIQNNVOM-CYBMUJFWSA-N -1 0 309.278 -0.461 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(CC(C)C)C1)C(=O)[O-] ZINC000388282525 972163717 /nfs/dbraw/zinc/16/37/17/972163717.db2.gz ZXIKBHHVNWXUMQ-UWVGGRQHSA-N -1 0 314.338 -0.377 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)OCc1nc(CS(C)(=O)=O)no1 ZINC001593934814 956214794 /nfs/dbraw/zinc/21/47/94/956214794.db2.gz YVMUPHYVKZZXDN-SNVBAGLBSA-N -1 0 322.295 -0.853 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)OCc1nc(CS(C)(=O)=O)no1 ZINC001593934812 956215261 /nfs/dbraw/zinc/21/52/61/956215261.db2.gz YVMUPHYVKZZXDN-JTQLQIEISA-N -1 0 322.295 -0.853 20 0 DBADRM C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1ccn(C)n1 ZINC001589132809 956218764 /nfs/dbraw/zinc/21/87/64/956218764.db2.gz ZBCIQHKFWRZLQI-SCZZXKLOSA-N -1 0 302.356 -0.136 20 0 DBADRM CO[C@](C)(CO)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001593937272 956228773 /nfs/dbraw/zinc/22/87/73/956228773.db2.gz NTGGMQRHMXVMCI-AWEZNQCLSA-N -1 0 310.306 -0.163 20 0 DBADRM C[C@](O)(C[C@H](O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C1CC1 ZINC001589137180 956236280 /nfs/dbraw/zinc/23/62/80/956236280.db2.gz ZQEFXUAUDYVIFH-LOWVWBTDSA-N -1 0 321.395 -0.918 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1cccc(Cl)n1)C(=O)[O-] ZINC001589138252 956245046 /nfs/dbraw/zinc/24/50/46/956245046.db2.gz LNAZWJVNWYMWLZ-LLVKDONJSA-N -1 0 301.686 -0.375 20 0 DBADRM C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)OCC(=O)C(=O)[O-] ZINC001589138245 956245505 /nfs/dbraw/zinc/24/55/05/956245505.db2.gz LKEXQCFPLVZRGH-OAHLLOKOSA-N -1 0 321.285 -0.410 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F)C(=O)[O-] ZINC001589138381 956246092 /nfs/dbraw/zinc/24/60/92/956246092.db2.gz DBVYPHCGMTXDFW-VGIXGZPDSA-N -1 0 312.244 -0.747 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1ccc2c(n1)CCC2)C(=O)[O-] ZINC001589138508 956249219 /nfs/dbraw/zinc/24/92/19/956249219.db2.gz QAVUPKFVGOYISQ-AWEZNQCLSA-N -1 0 307.306 -0.539 20 0 DBADRM C[C@@](O)(CNC(=O)CNC(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC001589138519 956249285 /nfs/dbraw/zinc/24/92/85/956249285.db2.gz FPLKKOJSMSGNOS-CYBMUJFWSA-N -1 0 316.260 -0.354 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1cccc(F)c1F)C(=O)[O-] ZINC001589138923 956254226 /nfs/dbraw/zinc/25/42/26/956254226.db2.gz WPWLYUXBKLNYSG-GFCCVEGCSA-N -1 0 302.233 -0.145 20 0 DBADRM C[C@@](O)(CNC(=O)[C@H]1CCc2nnc(C3CC3)n2C1)C(=O)[O-] ZINC001589139640 956261560 /nfs/dbraw/zinc/26/15/60/956261560.db2.gz YLOAKLMIVRIYFV-LKFCYVNXSA-N -1 0 308.338 -0.330 20 0 DBADRM CO[C@]1(C)CCCN(C(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC001593941597 956280544 /nfs/dbraw/zinc/28/05/44/956280544.db2.gz DOHBDVXFSNYCRB-CYBMUJFWSA-N -1 0 302.327 -0.769 20 0 DBADRM CCCNC(=O)[C@@H](C)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000388362030 972167368 /nfs/dbraw/zinc/16/73/68/972167368.db2.gz LWPFXAVOPJEOEM-MRVPVSSYSA-N -1 0 312.330 -0.810 20 0 DBADRM C[C@](O)(CNC(=O)c1cnnn1-c1cccc(F)c1)C(=O)[O-] ZINC001589146291 956289466 /nfs/dbraw/zinc/28/94/66/956289466.db2.gz ATSIYIHWRJSUFH-ZDUSSCGKSA-N -1 0 308.269 -0.028 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC001589146382 956291392 /nfs/dbraw/zinc/29/13/92/956291392.db2.gz HJMTVZVMSIYZKE-SECBINFHSA-N -1 0 322.321 -0.163 20 0 DBADRM CO[C@@]1(C(=O)N2CCC[C@@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001593943118 956294743 /nfs/dbraw/zinc/29/47/43/956294743.db2.gz FHXMOQHYPQFUTC-SKDRFNHKSA-N -1 0 305.352 -0.487 20 0 DBADRM COC1(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CS(=O)(=O)C1 ZINC001593943078 956294984 /nfs/dbraw/zinc/29/49/84/956294984.db2.gz DHTUWXLXUIWRLE-BDAKNGLRSA-N -1 0 305.352 -0.631 20 0 DBADRM COC1([C@@H](C)NC(=O)C(=O)NC[C@H](C)C(=O)[O-])CCOCC1 ZINC001593943075 956295049 /nfs/dbraw/zinc/29/50/49/956295049.db2.gz DCHGFGBQMSBSKQ-VHSXEESVSA-N -1 0 316.354 -0.476 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001589146886 956299180 /nfs/dbraw/zinc/29/91/80/956299180.db2.gz OGIMORQWJMELCG-IAQYHMDHSA-N -1 0 310.350 -0.151 20 0 DBADRM COC1(CCNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCC1 ZINC001593943468 956300288 /nfs/dbraw/zinc/30/02/88/956300288.db2.gz IYZNWKKICWNTHZ-UHFFFAOYSA-N -1 0 324.337 -0.018 20 0 DBADRM CO[C@@]1(C(=O)Nc2ccc(C(=O)[O-])cn2)CCS(=O)(=O)C1 ZINC001593943592 956301992 /nfs/dbraw/zinc/30/19/92/956301992.db2.gz NYSHDWDWJQUGGV-LBPRGKRZSA-N -1 0 314.319 -0.078 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001589147087 956302713 /nfs/dbraw/zinc/30/27/13/956302713.db2.gz PNNLNWIQKBUUCR-RDDDGLTNSA-N -1 0 310.310 -0.818 20 0 DBADRM C[C@@](O)(CNC(=O)c1cnc(C2(C)OCCO2)s1)C(=O)[O-] ZINC001589147246 956305448 /nfs/dbraw/zinc/30/54/48/956305448.db2.gz RQNSDXYVSZDVFL-LLVKDONJSA-N -1 0 316.335 -0.072 20 0 DBADRM CO[C@]1(CNC(=O)C2(C(=O)[O-])CC=CC2)CCS(=O)(=O)C1 ZINC001593944067 956309035 /nfs/dbraw/zinc/30/90/35/956309035.db2.gz ZBSOZLUMBAPAKE-LBPRGKRZSA-N -1 0 317.363 -0.273 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])CCOC1 ZINC001593944039 956309461 /nfs/dbraw/zinc/30/94/61/956309461.db2.gz YBCXHELTUFUKHO-AWEZNQCLSA-N -1 0 316.354 -0.475 20 0 DBADRM CO[C@]1(COC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCOC1 ZINC001593945683 956325692 /nfs/dbraw/zinc/32/56/92/956325692.db2.gz FKJNDAFSKKPTEJ-QMTHXVAHSA-N -1 0 315.322 -0.342 20 0 DBADRM CO[C@H]1C[C@H](NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1(C)C ZINC001593946984 956339069 /nfs/dbraw/zinc/33/90/69/956339069.db2.gz NLQYNBOVHVVUDE-IUCAKERBSA-N -1 0 324.337 -0.164 20 0 DBADRM C[C@@H](O)CN(Cc1ccccc1)C(=O)C(=O)NCCC(=O)[O-] ZINC001589152743 956340592 /nfs/dbraw/zinc/34/05/92/956340592.db2.gz STNYUIZUPKMJCN-LLVKDONJSA-N -1 0 308.334 -0.013 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCO1 ZINC001589152726 956341285 /nfs/dbraw/zinc/34/12/85/956341285.db2.gz KSTRXWPJSLKULE-QWRGUYRKSA-N -1 0 316.354 -0.341 20 0 DBADRM COC1(OC)CCOC[C@H]1NC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001593947517 956344158 /nfs/dbraw/zinc/34/41/58/956344158.db2.gz KBXDUBZYRSQSBW-SKDRFNHKSA-N -1 0 303.311 -0.486 20 0 DBADRM COC1(OC)CC(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001593947810 956346392 /nfs/dbraw/zinc/34/63/92/956346392.db2.gz LIOHIUNSVZAFCM-JTQLQIEISA-N -1 0 314.338 -0.423 20 0 DBADRM CO[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC001593947965 956347689 /nfs/dbraw/zinc/34/76/89/956347689.db2.gz ZOQMGORHDSZZPH-NXEZZACHSA-N -1 0 302.327 -0.770 20 0 DBADRM C[C@H](O)c1cn(C2CN(C(=O)[C@]3(C(=O)[O-])CCCO3)C2)nn1 ZINC001589154433 956363650 /nfs/dbraw/zinc/36/36/50/956363650.db2.gz UQEUBSRTKCYEBL-SDBXPKJASA-N -1 0 310.310 -0.652 20 0 DBADRM CO[C@H]1CC[C@H](NC(=O)NCCOCCOCC(=O)[O-])C1 ZINC001593949893 956366901 /nfs/dbraw/zinc/36/69/01/956366901.db2.gz VLTHBVQUTMIKHO-QWRGUYRKSA-N -1 0 304.343 -0.029 20 0 DBADRM C[C@H](O)c1ncc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)s1 ZINC001589154775 956367423 /nfs/dbraw/zinc/36/74/23/956367423.db2.gz ZWAGRZBADZMAEG-ZETCQYMHSA-N -1 0 313.335 -0.435 20 0 DBADRM CO[C@H]1CCCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001593950168 956371521 /nfs/dbraw/zinc/37/15/21/956371521.db2.gz RWUOHTFHPRXBHG-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM NC(=O)[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1ccc(F)cc1 ZINC001594636052 956372860 /nfs/dbraw/zinc/37/28/60/956372860.db2.gz AQOQFLCBARHILI-NXEZZACHSA-N -1 0 309.253 -0.302 20 0 DBADRM NC(=O)[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)c1ccccn1 ZINC001594636231 956374699 /nfs/dbraw/zinc/37/46/99/956374699.db2.gz CRXHANHUOLYUIS-JTQLQIEISA-N -1 0 301.262 -0.474 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001593950696 956380387 /nfs/dbraw/zinc/38/03/87/956380387.db2.gz FRJWLISQOXDLFJ-GMTAPVOTSA-N -1 0 302.327 -0.467 20 0 DBADRM NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001594637097 956382307 /nfs/dbraw/zinc/38/23/07/956382307.db2.gz VIPXRRLTMKEAKW-MWLCHTKSSA-N -1 0 305.290 -0.571 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC001593950981 956383982 /nfs/dbraw/zinc/38/39/82/956383982.db2.gz IIVKKYSCIDZVDA-OPRDCNLKSA-N -1 0 302.327 -0.914 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)CC1 ZINC001594637861 956385333 /nfs/dbraw/zinc/38/53/33/956385333.db2.gz CVOABOQSPYEUQK-OWOJBTEDSA-N -1 0 308.290 -0.170 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC001594637979 956387602 /nfs/dbraw/zinc/38/76/02/956387602.db2.gz HCKRRWAAVSQSOE-LTMVXPGCSA-N -1 0 307.262 -0.263 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC001594637978 956388291 /nfs/dbraw/zinc/38/82/91/956388291.db2.gz HCKRRWAAVSQSOE-KHVHVRLGSA-N -1 0 307.262 -0.263 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)Nc2ccnc(C(=O)[O-])c2)O1 ZINC001594638127 956388804 /nfs/dbraw/zinc/38/88/04/956388804.db2.gz KQWGAHHJYJZOHZ-WPRPVWTQSA-N -1 0 308.294 -0.066 20 0 DBADRM NC(=O)C[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)C1CCCCC1 ZINC001594638098 956388832 /nfs/dbraw/zinc/38/88/32/956388832.db2.gz AWHNNEWNWOJSGB-SNVBAGLBSA-N -1 0 323.353 -0.083 20 0 DBADRM NC(=O)C1CCC(NC(=O)c2cccn(CC(=O)[O-])c2=O)CC1 ZINC001594638232 956392127 /nfs/dbraw/zinc/39/21/27/956392127.db2.gz LJWSCKNHRZAHAO-UHFFFAOYSA-N -1 0 321.333 -0.293 20 0 DBADRM NC(=O)C[C@H]1CCCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001594639216 956401824 /nfs/dbraw/zinc/40/18/24/956401824.db2.gz RUJXOGCSTDLZFJ-SNVBAGLBSA-N -1 0 321.333 -0.340 20 0 DBADRM NC(=O)[C@@H]1CC(C(=O)OCC(=O)C(=O)[O-])=NN1c1ccccc1 ZINC001594639543 956405510 /nfs/dbraw/zinc/40/55/10/956405510.db2.gz XYTRVHZXRAGEGP-JTQLQIEISA-N -1 0 319.273 -0.697 20 0 DBADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])cn1)C(=O)N1CCNC1=O ZINC001589160412 956405766 /nfs/dbraw/zinc/40/57/66/956405766.db2.gz IGBWGTKUVKPMEY-ZETCQYMHSA-N -1 0 307.262 -0.123 20 0 DBADRM NC(=O)CC1(CNC(=O)c2cccn(CC(=O)[O-])c2=O)CC1 ZINC001594639671 956407932 /nfs/dbraw/zinc/40/79/32/956407932.db2.gz ZMLIWEARVQQXJR-UHFFFAOYSA-N -1 0 307.306 -0.682 20 0 DBADRM COCC(=O)NC1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001593952979 956408700 /nfs/dbraw/zinc/40/87/00/956408700.db2.gz JDUMARZSSOXBKI-UHFFFAOYSA-N -1 0 310.310 -0.525 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)C2(C(=O)[O-])CCCCC2)C[C@H]1C(N)=O ZINC001594640077 956410440 /nfs/dbraw/zinc/41/04/40/956410440.db2.gz ABOXYVSIUSOBQY-DTORHVGOSA-N -1 0 311.338 -0.933 20 0 DBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)CCCC(=O)[O-] ZINC001594640174 956412154 /nfs/dbraw/zinc/41/21/54/956412154.db2.gz FIOVXNZLXWMNDN-SECBINFHSA-N -1 0 300.311 -0.349 20 0 DBADRM NC(=O)C1CCN(C(=O)COC(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001594640199 956412191 /nfs/dbraw/zinc/41/21/91/956412191.db2.gz GFGROLGXDFSZRZ-UHFFFAOYSA-N -1 0 324.333 -0.326 20 0 DBADRM C[C@@H](OC(=O)c1ncccc1C(=O)[O-])C(=O)N1CCNC1=O ZINC001589161072 956415211 /nfs/dbraw/zinc/41/52/11/956415211.db2.gz QHDDLUVIQXVZIB-SSDOTTSWSA-N -1 0 307.262 -0.123 20 0 DBADRM COC[C@H](C)CNC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001593955056 956421460 /nfs/dbraw/zinc/42/14/60/956421460.db2.gz XCGUFHDPHBOBJB-MFKMUULPSA-N -1 0 304.343 -0.220 20 0 DBADRM COC[C@@H](C)CNC(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001593955071 956422065 /nfs/dbraw/zinc/42/20/65/956422065.db2.gz XQVWMEIOHJDTLR-HZMBPMFUSA-N -1 0 316.354 -0.665 20 0 DBADRM COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC001593955906 956422833 /nfs/dbraw/zinc/42/28/33/956422833.db2.gz BTZCMFCLTBCZME-NXEZZACHSA-N -1 0 324.337 -0.038 20 0 DBADRM NC(=O)CN1CCC[C@H](NC(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC001594641532 956424713 /nfs/dbraw/zinc/42/47/13/956424713.db2.gz RQZAHBGSRPOHMB-JTQLQIEISA-N -1 0 306.322 -0.541 20 0 DBADRM COC[C@H](C)OC[C@@H](O)CN1CCO[C@](COC)(C(=O)[O-])C1 ZINC001593956423 956430436 /nfs/dbraw/zinc/43/04/36/956430436.db2.gz WIRIQTCVGBNOFQ-SGMGOOAPSA-N -1 0 321.370 -0.799 20 0 DBADRM COC[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)[C@H]1CCCO1 ZINC001593956816 956436859 /nfs/dbraw/zinc/43/68/59/956436859.db2.gz KCPBZILTYVMHAK-OUAUKWLOSA-N -1 0 314.338 -0.770 20 0 DBADRM COC[C@H](CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)OC ZINC001593957153 956443092 /nfs/dbraw/zinc/44/30/92/956443092.db2.gz AVQIKEMXURQWAF-WDEREUQCSA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@H](CS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C)OC ZINC001593957305 956444249 /nfs/dbraw/zinc/44/42/49/956444249.db2.gz SMTPILHPJSEJQN-PSASIEDQSA-N -1 0 321.355 -0.873 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1)OC ZINC001593957448 956446611 /nfs/dbraw/zinc/44/66/11/956446611.db2.gz FYQULMNDRYASNE-VQXHTEKXSA-N -1 0 316.354 -0.476 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)COCC(=O)[O-])C[C@@H]1c1ccccc1 ZINC001594647684 956446749 /nfs/dbraw/zinc/44/67/49/956446749.db2.gz BXZFTIIMHFVKBV-NEPJUHHUSA-N -1 0 306.318 -0.185 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC001594647773 956447741 /nfs/dbraw/zinc/44/77/41/956447741.db2.gz GTTGORJDKVSDGU-VHSXEESVSA-N -1 0 313.354 -0.179 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@]2(C(=O)[O-])CCOC2)O1 ZINC001594648017 956450302 /nfs/dbraw/zinc/45/03/02/956450302.db2.gz OQLWSXZIXXPDIT-VYUIOLGVSA-N -1 0 300.311 -0.841 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])O1 ZINC001594648368 956453082 /nfs/dbraw/zinc/45/30/82/956453082.db2.gz XPLXDNOHZNDUIP-MXWKQRLJSA-N -1 0 307.306 -0.774 20 0 DBADRM COC[C@H](CCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)OC ZINC001593958076 956456561 /nfs/dbraw/zinc/45/65/61/956456561.db2.gz OKYCPTRIEXNUJR-UHIISALHSA-N -1 0 316.354 -0.220 20 0 DBADRM NC(=O)c1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])ccc1F ZINC001594648913 956456927 /nfs/dbraw/zinc/45/69/27/956456927.db2.gz OEKAOQXMZVSYHX-JTQLQIEISA-N -1 0 323.280 -0.061 20 0 DBADRM COC[C@H](CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)OC ZINC001593958289 956460605 /nfs/dbraw/zinc/46/06/05/956460605.db2.gz WQRAYVFJJADRQH-UWVGGRQHSA-N -1 0 302.327 -0.913 20 0 DBADRM NC(=O)c1cc(NC(=O)c2cn(CC(=O)[O-])nn2)ccc1F ZINC001594650059 956466917 /nfs/dbraw/zinc/46/69/17/956466917.db2.gz ZXYQQJKCGRBDKR-UHFFFAOYSA-N -1 0 307.241 -0.147 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])[nH]1 ZINC001594650037 956467241 /nfs/dbraw/zinc/46/72/41/956467241.db2.gz XXWFWNCDRPRWJN-LLVKDONJSA-N -1 0 302.290 -0.066 20 0 DBADRM NC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC001594650691 956472201 /nfs/dbraw/zinc/47/22/01/956472201.db2.gz KKLICQNVHGTXOK-JTQLQIEISA-N -1 0 323.280 -0.061 20 0 DBADRM COC[C@@]1(C(=O)N2CC[C@](COC)(C(=O)[O-])C2)CCOC1 ZINC001593960317 956482281 /nfs/dbraw/zinc/48/22/81/956482281.db2.gz UWPHMZWQTLGSMF-KBPBESRZSA-N -1 0 301.339 -0.011 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)C1 ZINC001594653666 956488551 /nfs/dbraw/zinc/48/85/51/956488551.db2.gz CCYICLUWYWWDQU-NXEZZACHSA-N -1 0 304.368 -0.233 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)C1 ZINC001594653671 956488722 /nfs/dbraw/zinc/48/87/22/956488722.db2.gz CCYICLUWYWWDQU-VHSXEESVSA-N -1 0 304.368 -0.233 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)C1 ZINC001594653669 956488566 /nfs/dbraw/zinc/48/85/66/956488566.db2.gz CCYICLUWYWWDQU-UWVGGRQHSA-N -1 0 304.368 -0.233 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccncc2)C1 ZINC001593961664 956489568 /nfs/dbraw/zinc/48/95/68/956489568.db2.gz MCDYKZVEDDQJRX-OAHLLOKOSA-N -1 0 321.333 -0.239 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)C2(CC(=O)[O-])CCC2)CCC1 ZINC001594653907 956492552 /nfs/dbraw/zinc/49/25/52/956492552.db2.gz GILBTYRTMKMZLE-UHFFFAOYSA-N -1 0 304.368 -0.041 20 0 DBADRM NS(=O)(=O)C1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001594654212 956494393 /nfs/dbraw/zinc/49/43/93/956494393.db2.gz LQNGIYGJDXUUQS-UHFFFAOYSA-N -1 0 320.367 -0.853 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)NC2CCC(C(=O)[O-])CC2)CC1 ZINC001594654514 956495491 /nfs/dbraw/zinc/49/54/91/956495491.db2.gz QHAFTLFODBNCHY-UHFFFAOYSA-N -1 0 319.383 -0.250 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NC[C@H](F)C(=O)OC)C1 ZINC001593962066 956495509 /nfs/dbraw/zinc/49/55/09/956495509.db2.gz GPZMRHGLDKYEGE-UFBFGSQYSA-N -1 0 306.290 -0.370 20 0 DBADRM NC(=S)c1ccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC001594654278 956495581 /nfs/dbraw/zinc/49/55/81/956495581.db2.gz OZHJRDQFZSAUBP-UHFFFAOYSA-N -1 0 321.358 -0.310 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC001594654813 956499938 /nfs/dbraw/zinc/49/99/38/956499938.db2.gz ZKPKXZZDSQZMPL-OWOJBTEDSA-N -1 0 300.292 -0.510 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCC[C@@H]2CNC(=O)C2)C1 ZINC001593963153 956512585 /nfs/dbraw/zinc/51/25/85/956512585.db2.gz IRWOREHYRIWTJZ-IINYFYTJSA-N -1 0 313.354 -0.355 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001593963377 956515757 /nfs/dbraw/zinc/51/57/57/956515757.db2.gz CYXAEBFFABSRDS-HNNXBMFYSA-N -1 0 323.349 -0.086 20 0 DBADRM C[C@@]1(C(=O)NCCOCCOCC(=O)[O-])CCNC(=O)C1 ZINC001589181889 956530397 /nfs/dbraw/zinc/53/03/97/956530397.db2.gz UMNRLTGMFCVGNQ-CYBMUJFWSA-N -1 0 302.327 -0.863 20 0 DBADRM C[C@]1(C(=O)NCCOCCOCC(=O)[O-])CCNC(=O)C1 ZINC001589181890 956530592 /nfs/dbraw/zinc/53/05/92/956530592.db2.gz UMNRLTGMFCVGNQ-ZDUSSCGKSA-N -1 0 302.327 -0.863 20 0 DBADRM C[C@H](c1nc(N)nc(Cl)n1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001589182068 956533538 /nfs/dbraw/zinc/53/35/38/956533538.db2.gz GHIATRROGZFSKN-ZCFIWIBFSA-N -1 0 314.733 -0.603 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)OCC(=O)C(=O)[O-])cc1 ZINC001594661405 956539338 /nfs/dbraw/zinc/53/93/38/956539338.db2.gz RVTWPCOQCAJEDO-UHFFFAOYSA-N -1 0 301.276 -0.927 20 0 DBADRM C[C@]1(C(=O)Nc2cnn(CC(=O)[O-])c2)CCCS1(=O)=O ZINC001589183674 956547592 /nfs/dbraw/zinc/54/75/92/956547592.db2.gz HNRGXTIBECKRBR-LLVKDONJSA-N -1 0 301.324 -0.127 20 0 DBADRM Nc1nccc2c1CN(C(=O)c1cn(CC(=O)[O-])nn1)CC2 ZINC001594664957 956564400 /nfs/dbraw/zinc/56/44/00/956564400.db2.gz IWYIIIOAUIYNIB-UHFFFAOYSA-N -1 0 302.294 -0.462 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](O)C(F)(F)C2)C1 ZINC001589187567 956570199 /nfs/dbraw/zinc/57/01/99/956570199.db2.gz VXBQTXMSYALSQM-UFBFGSQYSA-N -1 0 320.292 -0.462 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=S)NCC(=O)NC(C)C)C1 ZINC001593967377 956571242 /nfs/dbraw/zinc/57/12/42/956571242.db2.gz GZUPEXXOOZSORA-CYBMUJFWSA-N -1 0 317.411 -0.191 20 0 DBADRM Nc1ccccc1S(=O)(=O)NCCOCCOCC(=O)[O-] ZINC001594665827 956574345 /nfs/dbraw/zinc/57/43/45/956574345.db2.gz PUNVSCFBBZFPIZ-UHFFFAOYSA-N -1 0 318.351 -0.335 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2CCO)C1 ZINC001589188111 956575524 /nfs/dbraw/zinc/57/55/24/956575524.db2.gz RSSPKBDSJGBHGC-RWSFTLGLSA-N -1 0 312.366 -0.023 20 0 DBADRM Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC001594666445 956578882 /nfs/dbraw/zinc/57/88/82/956578882.db2.gz NBEYVMKSSYGIQA-SNVBAGLBSA-N -1 0 321.337 -0.476 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cn(C(F)(F)CO)nn1 ZINC001589189141 956588115 /nfs/dbraw/zinc/58/81/15/956588115.db2.gz VNDGHWBPSMVOCO-JTQLQIEISA-N -1 0 304.253 -0.101 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001593968827 956590943 /nfs/dbraw/zinc/59/09/43/956590943.db2.gz WUBQAEJKXYXVDF-CYBMUJFWSA-N -1 0 311.294 -0.951 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2nccc(S(C)(=O)=O)n2)C1 ZINC001593969751 956595662 /nfs/dbraw/zinc/59/56/62/956595662.db2.gz CWOSBPDZSZDOTN-GFCCVEGCSA-N -1 0 315.351 -0.192 20 0 DBADRM Nc1nnc([C@H]2CCCN([C@H]3CCN(CC(=O)[O-])C3=O)C2)o1 ZINC001594668406 956598890 /nfs/dbraw/zinc/59/88/90/956598890.db2.gz WDRPNDOILKVSQS-IUCAKERBSA-N -1 0 309.326 -0.483 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@@H]2CCOC[C@@H]2C)CCO1 ZINC001593970544 956608875 /nfs/dbraw/zinc/60/88/75/956608875.db2.gz KSMUGHHWMWXUQZ-WDMOLILDSA-N -1 0 316.354 -0.077 20 0 DBADRM O=C([O-])c1ccc(/C=C/C(=O)NC[C@]2(CO)COCCN2)o1 ZINC001594670217 956613853 /nfs/dbraw/zinc/61/38/53/956613853.db2.gz OUCAUHJQQDYZFG-PMUGQKEBSA-N -1 0 310.306 -0.542 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C2(O)CCSCC2)CCO1 ZINC001593971084 956617548 /nfs/dbraw/zinc/61/75/48/956617548.db2.gz DTAJEBKTQTWHAG-CYBMUJFWSA-N -1 0 319.379 -0.427 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@@H](C)C[S@](C)=O)CCO1 ZINC001593971637 956624901 /nfs/dbraw/zinc/62/49/01/956624901.db2.gz DEYOLXHXMXAJEC-XDCKBPOISA-N -1 0 322.383 -0.735 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H]2CCn3ccnc3C2)CCO1 ZINC001593971964 956629206 /nfs/dbraw/zinc/62/92/06/956629206.db2.gz ILDGKKKOMUKBLJ-NHYWBVRUSA-N -1 0 323.349 -0.226 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCCc2cn[nH]c2)CCO1 ZINC001593972236 956631229 /nfs/dbraw/zinc/63/12/29/956631229.db2.gz RPCOLMVKCSFIFD-ZDUSSCGKSA-N -1 0 312.326 -0.536 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)COCC(F)(F)F)CCO1 ZINC001593972184 956631409 /nfs/dbraw/zinc/63/14/09/956631409.db2.gz FVFCODYQMUUKLU-JTQLQIEISA-N -1 0 315.244 -0.106 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CC(S(N)(=O)=O)C1 ZINC001589201122 956634867 /nfs/dbraw/zinc/63/48/67/956634867.db2.gz LTZVAKNNWPOVNM-UHFFFAOYSA-N -1 0 304.368 -0.377 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CCc2ccncn2)CCO1 ZINC001593972809 956636588 /nfs/dbraw/zinc/63/65/88/956636588.db2.gz ICKPTCLSUSMWJH-AWEZNQCLSA-N -1 0 309.322 -0.262 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)C1 ZINC001589203332 956647001 /nfs/dbraw/zinc/64/70/01/956647001.db2.gz LOKSJTKBKOERHN-UONOGXRCSA-N -1 0 311.338 -0.967 20 0 DBADRM C[C@@]1(C(F)(F)F)CN(C(=O)C(=O)NCCC(=O)[O-])CCO1 ZINC001589203764 956650040 /nfs/dbraw/zinc/65/00/40/956650040.db2.gz VCJJTSFZOLGIHF-JTQLQIEISA-N -1 0 312.244 -0.243 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(c2nnnn2CCCN2CCCC2=O)C1 ZINC001589203752 956650531 /nfs/dbraw/zinc/65/05/31/956650531.db2.gz UBNAXQLEHDTYCM-AWEZNQCLSA-N -1 0 322.369 -0.013 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)/C=C\c2cnn(C)c2)CCO1 ZINC001593975446 956660654 /nfs/dbraw/zinc/66/06/54/956660654.db2.gz UXAWUHQEEOPXDF-NQHOJNORSA-N -1 0 309.322 -0.238 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H](C)c2cnccn2)CCO1 ZINC001593975521 956661515 /nfs/dbraw/zinc/66/15/15/956661515.db2.gz QTEZWZBABXMSOH-YGRLFVJLSA-N -1 0 309.322 -0.091 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC[C@@]1(CO)COCCN1 ZINC001589205776 956663996 /nfs/dbraw/zinc/66/39/96/956663996.db2.gz ZCJSSDJKUINOAI-CQSZACIVSA-N -1 0 314.382 -0.410 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H](C)[C@@H]2CCC(=O)N2)CCO1 ZINC001593976063 956665109 /nfs/dbraw/zinc/66/51/09/956665109.db2.gz UMXOVGZDURSQHG-BFVZDQMLSA-N -1 0 314.338 -0.770 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2nnc([C@@H]3CNC(=O)C3)n2C)C1 ZINC001593976139 956666285 /nfs/dbraw/zinc/66/62/85/956666285.db2.gz VELZWCIPGMPNNO-XPTSAGLGSA-N -1 0 323.353 -0.654 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@H]2CCO[C@H]21 ZINC001589206729 956670616 /nfs/dbraw/zinc/67/06/16/956670616.db2.gz KGJUHBHRCIVKKX-ISUQUUIWSA-N -1 0 310.350 -0.105 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)C[C@H]1CCCS1(=O)=O)C2 ZINC001594677522 956671230 /nfs/dbraw/zinc/67/12/30/956671230.db2.gz QPFFGPNCEUVYPB-CWSCBRNRSA-N -1 0 317.363 -0.487 20 0 DBADRM CC1(C)[C@H](O)C[C@H]1NC(=O)NCCOCCOCC(=O)[O-] ZINC001589210109 956681752 /nfs/dbraw/zinc/68/17/52/956681752.db2.gz WEMZSHJMXQUFBX-NXEZZACHSA-N -1 0 304.343 -0.437 20 0 DBADRM CC1(C)C[C@@H](NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCS1(=O)=O ZINC001589211210 956689164 /nfs/dbraw/zinc/68/91/64/956689164.db2.gz DPSYATYEIRZPEA-CBAPKCEASA-N -1 0 318.351 -0.312 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CO1 ZINC001589212655 956705495 /nfs/dbraw/zinc/70/54/95/956705495.db2.gz QQVCDJCYQLNXFR-GIPNMCIBSA-N -1 0 319.379 -0.083 20 0 DBADRM O=C(CCN1CCOCC1)NCC1(C(=O)[O-])CCOCC1 ZINC001594685299 956708910 /nfs/dbraw/zinc/70/89/10/956708910.db2.gz UDFRWAFEOTXBRL-UHFFFAOYSA-N -1 0 300.355 -0.294 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2ccc(C=O)cn2)CCO1 ZINC001593980375 956710532 /nfs/dbraw/zinc/71/05/32/956710532.db2.gz QHTCIWBCNMBJCM-CQSZACIVSA-N -1 0 308.290 -0.164 20 0 DBADRM O=C([O-])C(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O ZINC001594686821 956716089 /nfs/dbraw/zinc/71/60/89/956716089.db2.gz MCRVMFLRPCHXGD-UHFFFAOYSA-N -1 0 305.242 -0.130 20 0 DBADRM O=C([O-])C(=O)COC(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC001594688338 956727519 /nfs/dbraw/zinc/72/75/19/956727519.db2.gz AHTCKKWTRHEZMP-UHFFFAOYSA-N -1 0 319.273 -0.120 20 0 DBADRM COCC1(S(=O)(=O)N2CCO[C@](COC)(C(=O)[O-])C2)CC1 ZINC001593983861 956737864 /nfs/dbraw/zinc/73/78/64/956737864.db2.gz LLRHQYGBMNXEKY-GFCCVEGCSA-N -1 0 323.367 -0.703 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001589218872 956748344 /nfs/dbraw/zinc/74/83/44/956748344.db2.gz FHDJFKCVIZMNGE-ZDUSSCGKSA-N -1 0 305.294 -0.465 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CN1C(=O)CCC1=O ZINC001594691179 956749787 /nfs/dbraw/zinc/74/97/87/956749787.db2.gz FQRQWTIXNGKSRB-SNVBAGLBSA-N -1 0 305.290 -0.658 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2ncnc3[nH]ccc32)CCO1 ZINC001593984557 956751426 /nfs/dbraw/zinc/75/14/26/956751426.db2.gz ZBVKITJYYHSLKK-CQSZACIVSA-N -1 0 320.305 -0.148 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cnn3c2CCC3)CCO1 ZINC001593984541 956751459 /nfs/dbraw/zinc/75/14/59/956751459.db2.gz YZSSNCBBARQFNQ-AWEZNQCLSA-N -1 0 309.322 -0.229 20 0 DBADRM O=C([O-])c1ccccc1CNC(=O)CN1CCC(=O)NC1=O ZINC001594691949 956755293 /nfs/dbraw/zinc/75/52/93/956755293.db2.gz ZNVLYDMLQVLONF-UHFFFAOYSA-N -1 0 305.290 -0.057 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2nnnn2C[C@H]2C=CCC2)CCO1 ZINC001593984897 956757330 /nfs/dbraw/zinc/75/73/30/956757330.db2.gz LREWHCOQLOOSFL-SMDDNHRTSA-N -1 0 323.353 -0.054 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2C[C@@H]2C=CCC2)CCO1 ZINC001593984896 956757339 /nfs/dbraw/zinc/75/73/39/956757339.db2.gz LREWHCOQLOOSFL-RISCZKNCSA-N -1 0 323.353 -0.054 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CN1CCCS1(=O)=O)C1CCC1 ZINC001594692570 956758992 /nfs/dbraw/zinc/75/89/92/956758992.db2.gz LKXNMIDLOXGVJE-JTQLQIEISA-N -1 0 304.368 -0.361 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(S(=O)(=O)[C@H]2CCO[C@@H]2C)CCO1 ZINC001593985320 956766967 /nfs/dbraw/zinc/76/69/67/956766967.db2.gz WTTFLVYKFRUPMA-SCVCMEIPSA-N -1 0 323.367 -0.704 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(S(=O)(=O)[C@H]2CCO[C@H]2C)CCO1 ZINC001593985319 956767030 /nfs/dbraw/zinc/76/70/30/956767030.db2.gz WTTFLVYKFRUPMA-NHCYSSNCSA-N -1 0 323.367 -0.704 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2C[C@H]2C[C@@H]2C)CCO1 ZINC001593985503 956769549 /nfs/dbraw/zinc/76/95/49/956769549.db2.gz RAEUSSDBLYAZSN-CWSCBRNRSA-N -1 0 311.342 -0.365 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2C[C@@H]2C[C@@H]2C)CCO1 ZINC001593985504 956769669 /nfs/dbraw/zinc/76/96/69/956769669.db2.gz RAEUSSDBLYAZSN-KWBADKCTSA-N -1 0 311.342 -0.365 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCOCC1=O)c1ccc(F)cc1 ZINC001594696338 956774477 /nfs/dbraw/zinc/77/44/77/956774477.db2.gz QMIGABRIDHHPPV-ZDUSSCGKSA-N -1 0 310.281 -0.074 20 0 DBADRM CC1(C)CC[C@@H](Cn2nnnc2N2CCO[C@@H](C(=O)[O-])C2)O1 ZINC001589223971 956780478 /nfs/dbraw/zinc/78/04/78/956780478.db2.gz DXHKGRWDBRPUFP-VHSXEESVSA-N -1 0 311.342 -0.080 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CC(=O)NC[C@@H]2CCCO2)CCO1 ZINC001593986060 956781829 /nfs/dbraw/zinc/78/18/29/956781829.db2.gz MXNAUUSTUDYJON-FZMZJTMJSA-N -1 0 316.354 -0.916 20 0 DBADRM O=C([O-])C(=O)COC(=O)CNC(=O)c1cc(Cl)ccn1 ZINC001594697325 956785054 /nfs/dbraw/zinc/78/50/54/956785054.db2.gz DFZPYOBIYLMCSX-UHFFFAOYSA-N -1 0 300.654 -0.338 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@@H](O)C[C@](C)(O)C2CC2)CCO1 ZINC001593986418 956789053 /nfs/dbraw/zinc/78/90/53/956789053.db2.gz WIOSDGRYEGJKLV-QEJZJMRPSA-N -1 0 317.382 -0.300 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@H](O)C[C@@](C)(O)C2CC2)CCO1 ZINC001593986420 956789331 /nfs/dbraw/zinc/78/93/31/956789331.db2.gz WIOSDGRYEGJKLV-YUELXQCFSA-N -1 0 317.382 -0.300 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CCCN2CCOC2=O)CCO1 ZINC001593986386 956789877 /nfs/dbraw/zinc/78/98/77/956789877.db2.gz VEBRLMNMIZMGMG-ZDUSSCGKSA-N -1 0 302.327 -0.369 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@@H](O)C[C@@](C)(O)C2CC2)CCO1 ZINC001593986417 956790635 /nfs/dbraw/zinc/79/06/35/956790635.db2.gz WIOSDGRYEGJKLV-CFVMTHIKSA-N -1 0 317.382 -0.300 20 0 DBADRM COC[C@]1(CO)CCN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001593988200 956806910 /nfs/dbraw/zinc/80/69/10/956806910.db2.gz WOWRIGFEARVPKN-CYBMUJFWSA-N -1 0 301.339 -0.275 20 0 DBADRM COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)[C@@H](OC)C(=O)[O-])O1 ZINC001593988708 956810491 /nfs/dbraw/zinc/81/04/91/956810491.db2.gz KNXZGSOXRHJRQL-NNYUYHANSA-N -1 0 317.338 -0.493 20 0 DBADRM COCC1(S(=O)(=O)N(CCC(=O)OC)CC(=O)[O-])CCC1 ZINC001593988758 956810572 /nfs/dbraw/zinc/81/05/72/956810572.db2.gz LYRUNJJRMYLLCU-UHFFFAOYSA-N -1 0 323.367 -0.165 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CCO1 ZINC001593989217 956814914 /nfs/dbraw/zinc/81/49/14/956814914.db2.gz BULZPWBTEZLNSB-NSHDSACASA-N -1 0 323.305 -0.408 20 0 DBADRM CC1(C)CN(CCNC(=O)C(=O)NCCCC(=O)[O-])CCO1 ZINC001589231333 956822835 /nfs/dbraw/zinc/82/28/35/956822835.db2.gz GEUKQEHKUOZDKD-UHFFFAOYSA-N -1 0 315.370 -0.806 20 0 DBADRM O=C(CC1C(=O)N=CNC1=O)NCC1(C(=O)[O-])CCOCC1 ZINC001594703274 956825193 /nfs/dbraw/zinc/82/51/93/956825193.db2.gz BSQIXKAKCRPAMG-UHFFFAOYSA-N -1 0 311.294 -0.572 20 0 DBADRM COCC[C@@H](C)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593990214 956833163 /nfs/dbraw/zinc/83/31/63/956833163.db2.gz YMXULORIXPIOAC-SECBINFHSA-N -1 0 307.368 -0.193 20 0 DBADRM COCC[C@H](NC(=O)C1(CC(=O)[O-])CCOCC1)C(N)=O ZINC001593990532 956838449 /nfs/dbraw/zinc/83/84/49/956838449.db2.gz LBKATVWSAOXYDL-VIFPVBQESA-N -1 0 302.327 -0.736 20 0 DBADRM COCC[C@@H](NC(=O)C1(CC(=O)[O-])CCOCC1)C(N)=O ZINC001593990531 956838771 /nfs/dbraw/zinc/83/87/71/956838771.db2.gz LBKATVWSAOXYDL-SECBINFHSA-N -1 0 302.327 -0.736 20 0 DBADRM COCC[C@]1(NC(=O)c2cccn(CC(=O)[O-])c2=O)CCOC1 ZINC001593990874 956844073 /nfs/dbraw/zinc/84/40/73/956844073.db2.gz IRCBZWJXJKHBNA-HNNXBMFYSA-N -1 0 324.333 -0.142 20 0 DBADRM C[C@]1(CCC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCC(=O)N1 ZINC001589238902 956853496 /nfs/dbraw/zinc/85/34/96/956853496.db2.gz DKOLVMLTCABRFO-VQISRLSMSA-N -1 0 310.350 -0.005 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1=O ZINC001589239062 956854727 /nfs/dbraw/zinc/85/47/27/956854727.db2.gz BWBIVNINYDEHRS-CVXYPUPMSA-N -1 0 309.322 -0.314 20 0 DBADRM COCCC[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001593992865 956854991 /nfs/dbraw/zinc/85/49/91/956854991.db2.gz JIOKWIIXHOOWCE-ZJUUUORDSA-N -1 0 307.368 -0.241 20 0 DBADRM COCCCCn1nnnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593993928 956865394 /nfs/dbraw/zinc/86/53/94/956865394.db2.gz TWZCTKBSRJQYQM-ZWNOBZJWSA-N -1 0 311.342 -0.363 20 0 DBADRM COCCCN(C(=O)[C@@H](OC)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001593993985 956865446 /nfs/dbraw/zinc/86/54/46/956865446.db2.gz ZXAKOMJBCHTHFF-VHSXEESVSA-N -1 0 323.367 -0.862 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)C(=O)NCCCCC(=O)[O-])O1 ZINC001589240448 956879785 /nfs/dbraw/zinc/87/97/85/956879785.db2.gz RDPVKTNRMGPQPQ-SECBINFHSA-N -1 0 302.327 -0.375 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCCO1 ZINC001589240908 956886637 /nfs/dbraw/zinc/88/66/37/956886637.db2.gz BWJOKVXXAKWORL-QMTHXVAHSA-N -1 0 314.338 -0.626 20 0 DBADRM C[C@]1(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCCO1 ZINC001589244931 956902129 /nfs/dbraw/zinc/90/21/29/956902129.db2.gz OQNSEFWREFOMSV-GFCCVEGCSA-N -1 0 319.379 -0.049 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C ZINC001593997590 956907752 /nfs/dbraw/zinc/90/77/52/956907752.db2.gz UKCDUZWVCOCBDX-SECBINFHSA-N -1 0 324.341 -0.483 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001593997680 956908552 /nfs/dbraw/zinc/90/85/52/956908552.db2.gz XUBQQHQCIMOLLR-JTQLQIEISA-N -1 0 310.372 -0.880 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCCC2)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594714376 956908820 /nfs/dbraw/zinc/90/88/20/956908820.db2.gz GPYGYBAUSHEAQF-MGCOHNPYSA-N -1 0 308.338 -0.249 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)Cn1cccnc1=O)O2 ZINC001594714472 956910958 /nfs/dbraw/zinc/91/09/58/956910958.db2.gz XBSOPOBDVYXOSD-VTWZXRTESA-N -1 0 321.333 -0.228 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC001593998793 956912234 /nfs/dbraw/zinc/91/22/34/956912234.db2.gz MNFDPSXOMQIFDU-UHFFFAOYSA-N -1 0 321.337 -0.006 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001594714530 956912607 /nfs/dbraw/zinc/91/26/07/956912607.db2.gz ZSISZZBLMOTNHW-SNVBAGLBSA-N -1 0 318.289 -0.844 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@](C)(CO)C2)C1 ZINC001589245619 956913215 /nfs/dbraw/zinc/91/32/15/956913215.db2.gz LSDDBQYXHMSEGL-HUUCEWRRSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCCC2)N[C@]1(C(=O)[O-])CCOC1 ZINC001594714863 956915032 /nfs/dbraw/zinc/91/50/32/956915032.db2.gz OVJGRUVWSGFKIU-CQSZACIVSA-N -1 0 324.337 -0.869 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001589245859 956916818 /nfs/dbraw/zinc/91/68/18/956916818.db2.gz SXAFPDDXQPDMSF-AYGWYOGXSA-N -1 0 301.339 -0.400 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001589245861 956916976 /nfs/dbraw/zinc/91/69/76/956916976.db2.gz SXAFPDDXQPDMSF-KZWBYHQPSA-N -1 0 301.339 -0.400 20 0 DBADRM COCCN(CC(F)F)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001594000293 956924221 /nfs/dbraw/zinc/92/42/21/956924221.db2.gz PJPJETOCESALRC-QMMMGPOBSA-N -1 0 308.281 -0.340 20 0 DBADRM COCCN(CC(F)F)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001594000292 956924403 /nfs/dbraw/zinc/92/44/03/956924403.db2.gz PJPJETOCESALRC-MRVPVSSYSA-N -1 0 308.281 -0.340 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC001594000806 956927048 /nfs/dbraw/zinc/92/70/48/956927048.db2.gz FDFOWDHBTXGONK-HBNTYKKESA-N -1 0 316.354 -0.382 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC001594001465 956932774 /nfs/dbraw/zinc/93/27/74/956932774.db2.gz RFLZUPJGOBYVCR-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cc(C(N)=O)oc1C ZINC001594001710 956932837 /nfs/dbraw/zinc/93/28/37/956932837.db2.gz BCQPCNXNRPXLJP-UHFFFAOYSA-N -1 0 320.323 -0.591 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC001594001483 956933284 /nfs/dbraw/zinc/93/32/84/956933284.db2.gz RXZWAPOVMCHLOJ-WDEREUQCSA-N -1 0 316.354 -0.835 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@H]1COCCN1CC(F)F ZINC001594002478 956941286 /nfs/dbraw/zinc/94/12/86/956941286.db2.gz MYMCNNXWJNYMOE-SNVBAGLBSA-N -1 0 324.324 -0.098 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001594002522 956941509 /nfs/dbraw/zinc/94/15/09/956941509.db2.gz PFXFEVSRZTXRIK-LBPRGKRZSA-N -1 0 322.383 -0.592 20 0 DBADRM C[C@@]1(Cn2nnnc2N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCOC1 ZINC001589248070 956950150 /nfs/dbraw/zinc/95/01/50/956950150.db2.gz ZGIFQSGUCVQREG-DDTOSNHZSA-N -1 0 323.353 -0.363 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001594004631 956950557 /nfs/dbraw/zinc/95/05/57/956950557.db2.gz BDGBYKZRDGCMGA-ZJUUUORDSA-N -1 0 317.342 -0.848 20 0 DBADRM CC1(F)CN(C(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC001589248086 956952028 /nfs/dbraw/zinc/95/20/28/956952028.db2.gz ZWWZCRWZDRRRAL-UHFFFAOYSA-N -1 0 302.302 -0.446 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCC[C@]1(O)CCOC1 ZINC001594005388 956965579 /nfs/dbraw/zinc/96/55/79/956965579.db2.gz RFCDPSVDKXUGAO-ZDUSSCGKSA-N -1 0 304.343 -0.339 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCc1nc2ncccn2n1 ZINC001594005800 956972590 /nfs/dbraw/zinc/97/25/90/956972590.db2.gz ZPXZZKKXRDCVGK-UHFFFAOYSA-N -1 0 322.325 -0.243 20 0 DBADRM C[C@]12COC[C@H]1CN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C2 ZINC001589254419 956979709 /nfs/dbraw/zinc/97/97/09/956979709.db2.gz IASYXEKGHHZEAD-ZETOZRRWSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2cn(-c3cccnc3)nn2)CCOC1 ZINC001594723998 956983820 /nfs/dbraw/zinc/98/38/20/956983820.db2.gz PTEYHGCEGIRGQA-ZDUSSCGKSA-N -1 0 303.278 -0.364 20 0 DBADRM C[C@]12CN(C(=O)C3(C(=O)[O-])CC=CC3)C[C@@]1(C)C(=O)NC2=O ZINC001589255276 956984843 /nfs/dbraw/zinc/98/48/43/956984843.db2.gz UEFVIOTWGXPKRL-OKILXGFUSA-N -1 0 306.318 -0.081 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001589256967 957007476 /nfs/dbraw/zinc/00/74/76/957007476.db2.gz QCCQIYGGKRKNRH-ZKCHVHJHSA-N -1 0 301.324 -0.499 20 0 DBADRM C[C@@H]1C(=O)N(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)C(=O)N1C ZINC001589258299 957017408 /nfs/dbraw/zinc/01/74/08/957017408.db2.gz HTHREWIAGHKXDY-HRDYMLBCSA-N -1 0 313.310 -0.430 20 0 DBADRM COCCN1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1=O ZINC001594014668 957020773 /nfs/dbraw/zinc/02/07/73/957020773.db2.gz IURLEKGZFOWXNL-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H]1C(=O)N(C)CN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001589258765 957022015 /nfs/dbraw/zinc/02/20/15/957022015.db2.gz LRKOBAHWERWCBJ-QMMMGPOBSA-N -1 0 305.356 -0.852 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001589259946 957029710 /nfs/dbraw/zinc/02/97/10/957029710.db2.gz WSCALMJBULPLRW-XNWIYYODSA-N -1 0 311.338 -0.607 20 0 DBADRM COCCOCCCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594017262 957042103 /nfs/dbraw/zinc/04/21/03/957042103.db2.gz BZTXTGPEKUWKAC-NSHDSACASA-N -1 0 316.354 -0.521 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC001594731473 957044557 /nfs/dbraw/zinc/04/45/57/957044557.db2.gz WMHNZRWUTKKECN-GXSJLCMTSA-N -1 0 310.354 -0.587 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001594017631 957045881 /nfs/dbraw/zinc/04/58/81/957045881.db2.gz PLMBJCOWNPDMJW-UHFFFAOYSA-N -1 0 302.327 -0.911 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)C1(C(=O)[O-])CCOCC1 ZINC001589262543 957046992 /nfs/dbraw/zinc/04/69/92/957046992.db2.gz OTKFZOGRKRQXMU-NXEZZACHSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC001589262614 957048884 /nfs/dbraw/zinc/04/88/84/957048884.db2.gz QAKKVONJVUKVPZ-SNGHESPRSA-N -1 0 304.368 -0.713 20 0 DBADRM COCCO[C@@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594018059 957049933 /nfs/dbraw/zinc/04/99/33/957049933.db2.gz LJHNALZLKMEINW-KOLCDFICSA-N -1 0 300.311 -0.130 20 0 DBADRM COCCOC[C@@H]1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594018286 957052191 /nfs/dbraw/zinc/05/21/91/957052191.db2.gz QNHKYUMKTRXLHQ-MWLCHTKSSA-N -1 0 300.311 -0.273 20 0 DBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@@](C)(OC)C(=O)[O-])C1 ZINC001594018419 957055068 /nfs/dbraw/zinc/05/50/68/957055068.db2.gz DJBUAEMNDBEINO-MISXGVKJSA-N -1 0 319.354 -0.652 20 0 DBADRM C[C@@H]1[C@@H](CO)CCN1C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589262972 957055820 /nfs/dbraw/zinc/05/58/20/957055820.db2.gz WEOVMZDVOYLHMA-NXEZZACHSA-N -1 0 319.379 -0.505 20 0 DBADRM C[C@@H]1[C@H](OC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC(=O)N1C ZINC001589262931 957055983 /nfs/dbraw/zinc/05/59/83/957055983.db2.gz CANIGAUETFWBMA-OPRDCNLKSA-N -1 0 312.322 -0.528 20 0 DBADRM COCCOC[C@@H](C)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001594018602 957057520 /nfs/dbraw/zinc/05/75/20/957057520.db2.gz USWKTOKEEWJKAK-NXEZZACHSA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001589262982 957057679 /nfs/dbraw/zinc/05/76/79/957057679.db2.gz COBXXWWAFOEMGP-SNVBAGLBSA-N -1 0 317.342 -0.976 20 0 DBADRM COCCOC1(CNC(=O)COCC(=O)[O-])CCOCC1 ZINC001594019183 957068771 /nfs/dbraw/zinc/06/87/71/957068771.db2.gz STMSVKVWEUDUFD-UHFFFAOYSA-N -1 0 305.327 -0.584 20 0 DBADRM CC(C)n1[nH]cnc1=NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001589265130 957074744 /nfs/dbraw/zinc/07/47/44/957074744.db2.gz BTTMGTFVKJDETR-VHSXEESVSA-N -1 0 323.353 -0.211 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001594021819 957086089 /nfs/dbraw/zinc/08/60/89/957086089.db2.gz MMUJLVZJEBWCJC-VHSXEESVSA-N -1 0 307.368 -0.383 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N[C@H](CC(F)F)C(=O)[O-])C1=O ZINC000389754141 972244122 /nfs/dbraw/zinc/24/41/22/972244122.db2.gz WDWATIBVNZERPI-SSDOTTSWSA-N -1 0 321.280 -0.115 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000035296081 957203105 /nfs/dbraw/zinc/20/31/05/957203105.db2.gz QUVXARKOLOCYGY-SNVBAGLBSA-N -1 0 317.319 -0.874 20 0 DBADRM CSc1ncc(Cl)c(C(=O)NCC(=O)NCC(=O)[O-])n1 ZINC000035384037 957207539 /nfs/dbraw/zinc/20/75/39/957207539.db2.gz CUHXNHBGWRLBFS-UHFFFAOYSA-N -1 0 318.742 -0.218 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)C(N)=O ZINC000035794378 957224570 /nfs/dbraw/zinc/22/45/70/957224570.db2.gz AITYHSXTGJOCEK-QMMMGPOBSA-N -1 0 316.335 -0.308 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)N(C)C ZINC000036133464 957224683 /nfs/dbraw/zinc/22/46/83/957224683.db2.gz AMSKPNGLOIUWQE-ZETCQYMHSA-N -1 0 303.340 -0.522 20 0 DBADRM COc1ccc(S(=O)(=O)NCCC(N)=O)c(CC(=O)[O-])c1 ZINC000036889189 957243412 /nfs/dbraw/zinc/24/34/12/957243412.db2.gz KCXCZNXZSWHXFW-UHFFFAOYSA-N -1 0 316.335 -0.524 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000037225729 957267215 /nfs/dbraw/zinc/26/72/15/957267215.db2.gz COKLWRHIGIKXCB-QMMMGPOBSA-N -1 0 321.282 -0.664 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)Sc1[nH]c(=O)nc(C)c1C(=O)[O-] ZINC000037404616 957276970 /nfs/dbraw/zinc/27/69/70/957276970.db2.gz RASQKGACLRTFDT-YFKPBYRVSA-N -1 0 314.323 -0.287 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)Cn1cnc2sccc2c1=O)C(=O)[O-] ZINC000037413875 957280653 /nfs/dbraw/zinc/28/06/53/957280653.db2.gz GZDBZKKOLCADMD-MUWHJKNJSA-N -1 0 311.319 -0.592 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000037589811 957310954 /nfs/dbraw/zinc/31/09/54/957310954.db2.gz FBRMJOCIEXTWMD-QMMMGPOBSA-N -1 0 317.367 -0.002 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000037598855 957314562 /nfs/dbraw/zinc/31/45/62/957314562.db2.gz ZZVLFAVXLOVXFC-VHSXEESVSA-N -1 0 306.384 -0.525 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)[O-] ZINC000390003565 972260310 /nfs/dbraw/zinc/26/03/10/972260310.db2.gz KVHPSHKCSIQWMY-VIFPVBQESA-N -1 0 322.273 -0.236 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)o1 ZINC000038082930 957355911 /nfs/dbraw/zinc/35/59/11/957355911.db2.gz TWVZMXZAPFUIEO-SSDOTTSWSA-N -1 0 323.348 -0.309 20 0 DBADRM CS(=O)(=O)NCCNC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000040578680 957377097 /nfs/dbraw/zinc/37/70/97/957377097.db2.gz GVQDTOFJGHEPMN-UHFFFAOYSA-N -1 0 315.351 -0.016 20 0 DBADRM NS(=O)(=O)CCNC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000040578992 957377840 /nfs/dbraw/zinc/37/78/40/957377840.db2.gz OBZHXQZWNAZWLN-UHFFFAOYSA-N -1 0 315.351 -0.485 20 0 DBADRM NS(=O)(=O)CCNC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000040579008 957378205 /nfs/dbraw/zinc/37/82/05/957378205.db2.gz HWHZGCUKOBREIX-UHFFFAOYSA-N -1 0 305.287 -0.066 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC(C)(C)C(=O)[O-])C1 ZINC000040910480 957380817 /nfs/dbraw/zinc/38/08/17/957380817.db2.gz UYKHUMWZHDZCKB-VIFPVBQESA-N -1 0 322.383 -0.041 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(NC(=O)COCC(=O)[O-])cc1 ZINC000041064200 957384680 /nfs/dbraw/zinc/38/46/80/957384680.db2.gz VTMLSAUMDYGLBO-UHFFFAOYSA-N -1 0 316.335 -0.023 20 0 DBADRM CN(C(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000043706623 957441424 /nfs/dbraw/zinc/44/14/24/957441424.db2.gz AGLFNBHLQYRVBO-DTWKUNHWSA-N -1 0 306.340 -0.989 20 0 DBADRM O=C([O-])c1cccc(CS(=O)(=O)NCCOCCO)c1 ZINC000052925584 957515612 /nfs/dbraw/zinc/51/56/12/957515612.db2.gz VUIRLHFCEJDXIR-UHFFFAOYSA-N -1 0 303.336 -0.187 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)NC1CC1 ZINC000055311636 957544498 /nfs/dbraw/zinc/54/44/98/957544498.db2.gz SARIYHDIKVUECP-UHFFFAOYSA-N -1 0 302.308 -0.157 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CNC(=O)c1ccccc1)C(=O)[O-] ZINC000059902254 957565088 /nfs/dbraw/zinc/56/50/88/957565088.db2.gz ZPXJKTXUOMXDIO-LLVKDONJSA-N -1 0 322.317 -0.061 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CC[C@H](O)C2)cc1 ZINC000061710247 957583327 /nfs/dbraw/zinc/58/33/27/957583327.db2.gz BPFDHKKKLYNXIO-VIFPVBQESA-N -1 0 301.320 -0.095 20 0 DBADRM CC(=O)N[C@@H](CSCC(=O)NC(=O)NC(C)(C)C)C(=O)[O-] ZINC000069554967 957652513 /nfs/dbraw/zinc/65/25/13/957652513.db2.gz MHQOVJBWABXRKU-QMMMGPOBSA-N -1 0 319.383 -0.067 20 0 DBADRM CCOC(=O)CN(C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000070446592 957673856 /nfs/dbraw/zinc/67/38/56/957673856.db2.gz WOMHECJMCGWNBK-UHFFFAOYSA-N -1 0 305.312 -0.400 20 0 DBADRM COCCn1c([C@H](O)COC)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001594022607 957676325 /nfs/dbraw/zinc/67/63/25/957676325.db2.gz LJXHMZYMXUPENS-NXEZZACHSA-N -1 0 314.342 -0.485 20 0 DBADRM COCCn1cc(C(=O)NC[C@](C)(O)C(=O)[O-])c(=O)cc1C ZINC001594023062 957683454 /nfs/dbraw/zinc/68/34/54/957683454.db2.gz AKIBWGHHLOVRCP-AWEZNQCLSA-N -1 0 312.322 -0.631 20 0 DBADRM COCCS(=O)(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594023482 957685628 /nfs/dbraw/zinc/68/56/28/957685628.db2.gz BPPBTQZVTYKPCU-YZRBJQDESA-N -1 0 307.368 -0.035 20 0 DBADRM COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001594024075 957689930 /nfs/dbraw/zinc/68/99/30/957689930.db2.gz KSLQFPDNLFHHFZ-NXEZZACHSA-N -1 0 323.353 -0.214 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCCC(=O)NC2CCCCC2)nn1 ZINC001574742905 957691075 /nfs/dbraw/zinc/69/10/75/957691075.db2.gz HOEHXUYWGQKJET-UHFFFAOYSA-N -1 0 323.353 -0.069 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@H](CO)C[C@@H]2CCCO2)c1=O ZINC001574745231 957702874 /nfs/dbraw/zinc/70/28/74/957702874.db2.gz KOOBFIQBCPILQJ-MNOVXSKESA-N -1 0 324.333 -0.407 20 0 DBADRM COCCn1cc(CN2CCO[C@](COC)(C(=O)[O-])C2)cn1 ZINC001594024906 957703001 /nfs/dbraw/zinc/70/30/01/957703001.db2.gz AFJHXQBJGHPDIH-CQSZACIVSA-N -1 0 313.354 -0.169 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@H](CO)C[C@@H]2CCCO2)c1=O ZINC001574745232 957703436 /nfs/dbraw/zinc/70/34/36/957703436.db2.gz KOOBFIQBCPILQJ-QWRGUYRKSA-N -1 0 324.333 -0.407 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2C[C@@H]3[C@H](O)CC[C@@H]3C2)c1=O ZINC001574745663 957705161 /nfs/dbraw/zinc/70/51/61/957705161.db2.gz QGAUYBGENZRVGS-ADEWGFFLSA-N -1 0 306.318 -0.224 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)[C@@H](C(=O)[O-])C1CC1)C2 ZINC001594025226 957710299 /nfs/dbraw/zinc/71/02/99/957710299.db2.gz GVQAPTTYOXENJC-LBPRGKRZSA-N -1 0 308.338 -0.080 20 0 DBADRM Cn1ccnc1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000071275841 957715969 /nfs/dbraw/zinc/71/59/69/957715969.db2.gz YMSUXUXDBFUHCQ-UHFFFAOYSA-N -1 0 302.356 -0.449 20 0 DBADRM COC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594025877 957720697 /nfs/dbraw/zinc/72/06/97/957720697.db2.gz IKCLFPXHJBAXTE-MRVPVSSYSA-N -1 0 314.269 -0.414 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)[C@]2(C3CCCC3)CCNC2=O)n1 ZINC001574748606 957720664 /nfs/dbraw/zinc/72/06/64/957720664.db2.gz XLRBSQDWVHGRKJ-AWEZNQCLSA-N -1 0 321.337 -0.002 20 0 DBADRM COC[C@H](O)CNC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594026153 957722974 /nfs/dbraw/zinc/72/29/74/957722974.db2.gz WJZOBIAUDBYIDO-JXRVJTEKSA-N -1 0 316.354 -0.295 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001594026090 957722986 /nfs/dbraw/zinc/72/29/86/957722986.db2.gz UDNNVBJORLIDTG-NXEZZACHSA-N -1 0 316.354 -0.788 20 0 DBADRM Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c(C)n1NC(N)=O ZINC001594277603 957724074 /nfs/dbraw/zinc/72/40/74/957724074.db2.gz FBFUIZLMNSPYHY-ZDUSSCGKSA-N -1 0 310.310 -0.299 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)nn1C ZINC001594279729 957732905 /nfs/dbraw/zinc/73/29/05/957732905.db2.gz NDVWRKFEQVDPJQ-SNVBAGLBSA-N -1 0 308.338 -0.076 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)C1 ZINC001574761372 957736851 /nfs/dbraw/zinc/73/68/51/957736851.db2.gz PVUHSTDTFCIUOO-QJPTWQEYSA-N -1 0 324.377 -0.023 20 0 DBADRM COCn1ccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])n1 ZINC001594031570 957766878 /nfs/dbraw/zinc/76/68/78/957766878.db2.gz ZZTWBBAIVMDSLB-SECBINFHSA-N -1 0 312.326 -0.462 20 0 DBADRM CON(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H](C)C(=O)[O-] ZINC001594032901 957777709 /nfs/dbraw/zinc/77/77/09/957777709.db2.gz AOBFYPIZKOTTIH-IUCAKERBSA-N -1 0 308.356 -0.479 20 0 DBADRM COC[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000081043384 957778106 /nfs/dbraw/zinc/77/81/06/957778106.db2.gz RMFYTGNWFVYBBR-SNVBAGLBSA-N -1 0 306.384 -0.004 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)[C@]1(C(=O)[O-])CCCO1)CC2 ZINC001594032985 957778592 /nfs/dbraw/zinc/77/85/92/957778592.db2.gz KWJVKKCVCVLQNG-OTYXRUKQSA-N -1 0 324.337 -0.511 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)[nH]n1 ZINC001574788123 957794012 /nfs/dbraw/zinc/79/40/12/957794012.db2.gz NHCUGHHOSGMIKF-MRVPVSSYSA-N -1 0 322.321 -0.789 20 0 DBADRM CON(C(=O)CN1CCCC2(CC2)S1(=O)=O)[C@H](C)C(=O)[O-] ZINC001594034889 957802623 /nfs/dbraw/zinc/80/26/23/957802623.db2.gz IMCPMJFFBDFKQS-SECBINFHSA-N -1 0 320.367 -0.192 20 0 DBADRM CON(C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)[C@@H](C)C(=O)[O-] ZINC001594035088 957805248 /nfs/dbraw/zinc/80/52/48/957805248.db2.gz UDYTYHVCSUISIJ-WHGOUJPWSA-N -1 0 323.305 -0.180 20 0 DBADRM CON(C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1)[C@H](C)C(=O)[O-] ZINC001594035086 957805929 /nfs/dbraw/zinc/80/59/29/957805929.db2.gz UDYTYHVCSUISIJ-PPKCKEKNSA-N -1 0 323.305 -0.180 20 0 DBADRM Cc1cc(C)c(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC001594294117 957852428 /nfs/dbraw/zinc/85/24/28/957852428.db2.gz QYYWMIDPPXHGCW-LBPRGKRZSA-N -1 0 321.333 -0.373 20 0 DBADRM Cc1cc(C)c(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC001594294116 957853091 /nfs/dbraw/zinc/85/30/91/957853091.db2.gz QYYWMIDPPXHGCW-GFCCVEGCSA-N -1 0 321.333 -0.373 20 0 DBADRM CON(C(=O)c1cc(S(N)(=O)=O)c(C)o1)[C@@H](C)C(=O)[O-] ZINC001594039925 957856142 /nfs/dbraw/zinc/85/61/42/957856142.db2.gz RRASLEOCLZFLQO-YFKPBYRVSA-N -1 0 306.296 -0.288 20 0 DBADRM CON(C(=O)c1nc(S(C)(=O)=O)ncc1C)[C@@H](C)C(=O)[O-] ZINC001594040915 957874601 /nfs/dbraw/zinc/87/46/01/957874601.db2.gz SOISKCKLULGNEH-ZETCQYMHSA-N -1 0 317.323 -0.335 20 0 DBADRM CON(C)CCNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594042552 957889228 /nfs/dbraw/zinc/88/92/28/957889228.db2.gz WZRBYVYMWIPLSK-SNVBAGLBSA-N -1 0 316.358 -0.756 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001594042867 957895323 /nfs/dbraw/zinc/89/53/23/957895323.db2.gz OMSKWLZQSPMBNL-GHMZBOCLSA-N -1 0 322.383 -0.579 20 0 DBADRM Cc1cc(C)n2nc(C(=O)Nc3ncn(CC(=O)[O-])n3)nc2n1 ZINC001594300153 957898101 /nfs/dbraw/zinc/89/81/01/957898101.db2.gz WNFRXGOLRXNKEO-UHFFFAOYSA-N -1 0 316.281 -0.330 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@H](C)CC(=O)[O-])C[C@H]21 ZINC001594044572 957911862 /nfs/dbraw/zinc/91/18/62/957911862.db2.gz SRLNCMBBKJWYIM-RGOKHQFPSA-N -1 0 320.367 -0.697 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@@H](C)CC(=O)[O-])C[C@H]21 ZINC001594044571 957911883 /nfs/dbraw/zinc/91/18/83/957911883.db2.gz SRLNCMBBKJWYIM-QEYWKRMJSA-N -1 0 320.367 -0.697 20 0 DBADRM CO[C@H]1CCN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001594045520 957915437 /nfs/dbraw/zinc/91/54/37/957915437.db2.gz IKPDVFJCZZKZLX-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C[C@@H]1OC ZINC001594045690 957917254 /nfs/dbraw/zinc/91/72/54/957917254.db2.gz OERSIFBWPXZMIQ-PHIMTYICSA-N -1 0 314.338 -0.818 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 ZINC001574825987 957935449 /nfs/dbraw/zinc/93/54/49/957935449.db2.gz HZDIKYIXPDNAHB-NXEZZACHSA-N -1 0 320.305 -0.099 20 0 DBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@]1(C(=O)[O-])CCOC1 ZINC000085852877 957946292 /nfs/dbraw/zinc/94/62/92/957946292.db2.gz BQWXFXDVJNRLOV-LDYMZIIASA-N -1 0 323.392 -0.733 20 0 DBADRM COc1cc(C(=O)N[C@H](C)CC(=O)[O-])sc1S(N)(=O)=O ZINC001594050907 957989348 /nfs/dbraw/zinc/98/93/48/957989348.db2.gz REDYUQAUGKGLRW-RXMQYKEDSA-N -1 0 322.364 -0.003 20 0 DBADRM COc1cc(C(N)=O)ccc1NC(=O)C(=O)N[C@H](C)C(=O)[O-] ZINC001594051785 957998785 /nfs/dbraw/zinc/99/87/85/957998785.db2.gz AVDXSZYZWRFDJA-ZCFIWIBFSA-N -1 0 309.278 -0.678 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@](O)(C2CC2)C1)C(=O)[O-] ZINC001346513467 958069548 /nfs/dbraw/zinc/06/95/48/958069548.db2.gz AIPDPFDDFFCZKA-IAQYHMDHSA-N -1 0 312.366 -0.167 20 0 DBADRM CN1C(=O)C[C@@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)C1=O ZINC000088774645 958070121 /nfs/dbraw/zinc/07/01/21/958070121.db2.gz BAMTULCUZIMREW-SECBINFHSA-N -1 0 312.303 -0.580 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@@H]2CCC[C@H]2O)CC1 ZINC000089169482 958071491 /nfs/dbraw/zinc/07/14/91/958071491.db2.gz BSNVZYBHGPMIFT-WDEREUQCSA-N -1 0 306.384 -0.222 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC[C@@H]2CCC[C@H]2O)cn1 ZINC000089169529 958072548 /nfs/dbraw/zinc/07/25/48/958072548.db2.gz LLZNUZZIJLHFTG-WCBMZHEXSA-N -1 0 303.340 -0.593 20 0 DBADRM CNC(=O)CN(C)[C@@H](C)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001485373926 1013166107 /nfs/dbraw/zinc/16/61/07/1013166107.db2.gz ZMFQWAAYLIAATB-QMMMGPOBSA-N -1 0 321.337 -0.276 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000089754398 958088671 /nfs/dbraw/zinc/08/86/71/958088671.db2.gz ZTZGLUJEUPCEOI-SECBINFHSA-N -1 0 312.303 -0.532 20 0 DBADRM COc1cc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cnc1OC ZINC001594062435 958102044 /nfs/dbraw/zinc/10/20/44/958102044.db2.gz ZTQLYLJRJWCSFN-SSDOTTSWSA-N -1 0 311.294 -0.126 20 0 DBADRM COC(=O)c1ccccc1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000090263025 958105427 /nfs/dbraw/zinc/10/54/27/958105427.db2.gz FZGZNYQZUNGYTB-QMMMGPOBSA-N -1 0 303.292 -0.803 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC001350635279 958112587 /nfs/dbraw/zinc/11/25/87/958112587.db2.gz ASXCYCDSFAFACV-SNVBAGLBSA-N -1 0 306.322 -0.799 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC001350635275 958112782 /nfs/dbraw/zinc/11/27/82/958112782.db2.gz ASXCYCDSFAFACV-JTQLQIEISA-N -1 0 306.322 -0.799 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC001351685679 958120081 /nfs/dbraw/zinc/12/00/81/958120081.db2.gz TYKDZARWOVLRRG-WPRPVWTQSA-N -1 0 324.337 -0.094 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC000091298115 958136487 /nfs/dbraw/zinc/13/64/87/958136487.db2.gz DDPLRSVZEQWSPJ-UWVGGRQHSA-N -1 0 320.367 -0.551 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cnc1N ZINC001594329005 958199882 /nfs/dbraw/zinc/19/98/82/958199882.db2.gz HZYSXORXTOZPCG-SECBINFHSA-N -1 0 301.324 -0.554 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@H]1COc2ccccc2O1 ZINC000391294504 972327799 /nfs/dbraw/zinc/32/77/99/972327799.db2.gz WUVQRZPFTGNOPX-BXKDBHETSA-N -1 0 320.301 -0.372 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000092947705 958228026 /nfs/dbraw/zinc/22/80/26/958228026.db2.gz NDXIRWAOOIGCNQ-UTLUCORTSA-N -1 0 304.368 -0.074 20 0 DBADRM NC(=O)c1ccc(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cn1 ZINC001552377403 958303754 /nfs/dbraw/zinc/30/37/54/958303754.db2.gz NIALNBBFGZFSII-RTHLEPHNSA-N -1 0 320.305 -0.255 20 0 DBADRM C[C@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)c1ncnn1C ZINC001552401981 958313153 /nfs/dbraw/zinc/31/31/53/958313153.db2.gz ISMQRICRTMHHAX-RVBZMBCESA-N -1 0 309.326 -0.381 20 0 DBADRM Cc1nccn1CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552403585 958315216 /nfs/dbraw/zinc/31/52/16/958315216.db2.gz RSMUIRUZYUGAJU-FZMZJTMJSA-N -1 0 308.338 -0.066 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)Cc1ccn(C)n1 ZINC001485377179 1013171756 /nfs/dbraw/zinc/17/17/56/1013171756.db2.gz HIFVCYUOVXZWNR-VIFPVBQESA-N -1 0 323.357 -0.941 20 0 DBADRM COc1ccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])nc1 ZINC001594094442 958389464 /nfs/dbraw/zinc/38/94/64/958389464.db2.gz OKYZRYXAIMOCOJ-NSHDSACASA-N -1 0 300.336 -0.226 20 0 DBADRM CCN1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1=O ZINC000391596758 972349228 /nfs/dbraw/zinc/34/92/28/972349228.db2.gz IFQLJKLOSKDCRA-MRVPVSSYSA-N -1 0 315.351 -0.378 20 0 DBADRM CCN1C[C@H](NS(=O)(=O)c2scnc2C(=O)[O-])CC1=O ZINC000391617276 972350262 /nfs/dbraw/zinc/35/02/62/972350262.db2.gz QUVQSYGUBNPJSV-ZCFIWIBFSA-N -1 0 319.364 -0.260 20 0 DBADRM CCN1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccn2)CC1=O ZINC000391618326 972351202 /nfs/dbraw/zinc/35/12/02/972351202.db2.gz RIJHWVKRWNXIKX-VIFPVBQESA-N -1 0 313.335 -0.321 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000125409301 958562600 /nfs/dbraw/zinc/56/26/00/958562600.db2.gz SNJICYJTRHLGJH-UHFFFAOYSA-N -1 0 317.323 -0.365 20 0 DBADRM Cn1cccc1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000125892045 958570915 /nfs/dbraw/zinc/57/09/15/958570915.db2.gz YFOGIPVDUKXAKV-VIFPVBQESA-N -1 0 300.336 -0.261 20 0 DBADRM C[C@]1(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CCCO1 ZINC000125952566 958575262 /nfs/dbraw/zinc/57/52/62/958575262.db2.gz HPDYXFFZXBKFPD-JOYOIKCWSA-N -1 0 305.352 -0.344 20 0 DBADRM CC(C)OC[C@@H](O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000126292005 958583899 /nfs/dbraw/zinc/58/38/99/958583899.db2.gz JFOBOZGRFFKDBT-QWRGUYRKSA-N -1 0 309.384 -0.654 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1CC(=O)NCC1CC1 ZINC000126299654 958585408 /nfs/dbraw/zinc/58/54/08/958585408.db2.gz RRNUKLVFKOZEHR-JTQLQIEISA-N -1 0 304.368 -0.914 20 0 DBADRM C[C@@H](C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001485393682 1013180894 /nfs/dbraw/zinc/18/08/94/1013180894.db2.gz UKZVGNXZJIBCQE-VHSXEESVSA-N -1 0 321.385 -0.016 20 0 DBADRM C[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485393683 1013183057 /nfs/dbraw/zinc/18/30/57/1013183057.db2.gz UKZVGNXZJIBCQE-ZJUUUORDSA-N -1 0 321.385 -0.016 20 0 DBADRM Nc1cccnc1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000132807258 958801575 /nfs/dbraw/zinc/80/15/75/958801575.db2.gz ADMHCXGLDOGVTP-MRVPVSSYSA-N -1 0 313.335 -0.622 20 0 DBADRM CC(=O)N[C@H]1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC000133939277 958827416 /nfs/dbraw/zinc/82/74/16/958827416.db2.gz ZDBKOGBLQMQCNF-QMMMGPOBSA-N -1 0 316.339 -0.685 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CCN(CCO)CC1 ZINC000134674765 958846415 /nfs/dbraw/zinc/84/64/15/958846415.db2.gz AFDXDAJSFFNGSK-UHFFFAOYSA-N -1 0 321.380 -0.860 20 0 DBADRM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134709511 958857863 /nfs/dbraw/zinc/85/78/63/958857863.db2.gz QXDFFOWSYOMXOP-RXMQYKEDSA-N -1 0 305.337 -0.650 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000138947646 958953952 /nfs/dbraw/zinc/95/39/52/958953952.db2.gz BSKAMTLJIRXQOT-UHFFFAOYSA-N -1 0 311.381 -0.652 20 0 DBADRM CCOC(=O)N1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC000139197980 958963873 /nfs/dbraw/zinc/96/38/73/958963873.db2.gz RCKKXPLQOSFURJ-UHFFFAOYSA-N -1 0 310.310 -0.118 20 0 DBADRM CNC(=O)CNS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000158989610 959103028 /nfs/dbraw/zinc/10/30/28/959103028.db2.gz QCKSJEXBYZZOMW-UHFFFAOYSA-N -1 0 312.347 -0.173 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ncn(C)n1 ZINC000392133925 972413005 /nfs/dbraw/zinc/41/30/05/972413005.db2.gz CCVRREHGYJIFPB-SSDOTTSWSA-N -1 0 313.339 -0.109 20 0 DBADRM O=C([O-])C1(CNC(=O)CNS(=O)(=O)c2ccccc2)CC1 ZINC000166924249 959326281 /nfs/dbraw/zinc/32/62/81/959326281.db2.gz WTRRUPZFDXVBHU-UHFFFAOYSA-N -1 0 312.347 -0.054 20 0 DBADRM CCC(CC)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001485397994 1013188704 /nfs/dbraw/zinc/18/87/04/1013188704.db2.gz IYVNTJGQKOHSPC-UHFFFAOYSA-N -1 0 311.386 -0.001 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)Cc1cc(C)on1)C(=O)[O-] ZINC000168814584 959393888 /nfs/dbraw/zinc/39/38/88/959393888.db2.gz DLUDVHGHPJTDSW-SECBINFHSA-N -1 0 320.323 -0.191 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000169241899 959404808 /nfs/dbraw/zinc/40/48/08/959404808.db2.gz WRXXZGXBYYTQSW-GLEHDBDLSA-N -1 0 303.344 -0.958 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000169262940 959407973 /nfs/dbraw/zinc/40/79/73/959407973.db2.gz QJJSCFLITSADBR-LXGOIASLSA-N -1 0 306.384 -0.066 20 0 DBADRM C[C@]1(CC(=O)NCC2(C(=O)[O-])CCC2)CCS(=O)(=O)N1 ZINC001573619163 959500347 /nfs/dbraw/zinc/50/03/47/959500347.db2.gz DPRFOJWYNGTTAH-LLVKDONJSA-N -1 0 304.368 -0.171 20 0 DBADRM CCOC(=O)CCCNC(=O)CN1CCSC[C@@H]1C(=O)[O-] ZINC000215303456 959748704 /nfs/dbraw/zinc/74/87/04/959748704.db2.gz XIKRSCDDXPVYBW-SNVBAGLBSA-N -1 0 318.395 -0.052 20 0 DBADRM COCCOCC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC000220003011 959798221 /nfs/dbraw/zinc/79/82/21/959798221.db2.gz NTLUDOPHWAMSEF-UHFFFAOYSA-N -1 0 300.311 -0.129 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000222698754 959826194 /nfs/dbraw/zinc/82/61/94/959826194.db2.gz PWUVYDMFDPBDBB-MNOVXSKESA-N -1 0 300.355 -0.466 20 0 DBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)NCCC(N)=O ZINC000223695883 959840475 /nfs/dbraw/zinc/84/04/75/959840475.db2.gz FVZAPJVYGRHXHL-UHFFFAOYSA-N -1 0 302.308 -0.453 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000226913496 959911243 /nfs/dbraw/zinc/91/12/43/959911243.db2.gz SAYGDFHOUCLOHM-ZJUUUORDSA-N -1 0 319.383 -0.762 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)NC[C@]1(O)CCOC1 ZINC000227115356 959920909 /nfs/dbraw/zinc/92/09/09/959920909.db2.gz WZQDGZJSVZQZRS-SNVBAGLBSA-N -1 0 307.349 -0.124 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)NC[C@]2(O)CCOC2)c1 ZINC000227114716 959921249 /nfs/dbraw/zinc/92/12/49/959921249.db2.gz POHUTYCKABEIRZ-GFCCVEGCSA-N -1 0 301.320 -0.186 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000227116205 959922818 /nfs/dbraw/zinc/92/28/18/959922818.db2.gz STZPBWZQWAILCY-QPUJVOFHSA-N -1 0 318.351 -0.459 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)ccc1Cl ZINC000227254297 959939511 /nfs/dbraw/zinc/93/95/11/959939511.db2.gz VZILIJAGHSDNGN-AOOOYVTPSA-N -1 0 321.738 -0.236 20 0 DBADRM O=C([O-])c1cccc(CS(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)c1 ZINC000227254862 959940728 /nfs/dbraw/zinc/94/07/28/959940728.db2.gz UTIIXPVCDYCQLQ-PHIMTYICSA-N -1 0 301.320 -0.748 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000227256032 959940916 /nfs/dbraw/zinc/94/09/16/959940916.db2.gz JOJDLHIJUROJLZ-YPMHNXCESA-N -1 0 314.363 -0.114 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000227256959 959941255 /nfs/dbraw/zinc/94/12/55/959941255.db2.gz SWCQCKVKGZXDFH-JTQLQIEISA-N -1 0 317.319 -0.662 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC[C@H]2CC[C@H](O)C2)cn1 ZINC000227547404 959953530 /nfs/dbraw/zinc/95/35/30/959953530.db2.gz ZQDACEKFVPHFFO-IUCAKERBSA-N -1 0 303.340 -0.593 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H]2CNC(=O)C2)cc1C(=O)[O-] ZINC000229019220 960051394 /nfs/dbraw/zinc/05/13/94/960051394.db2.gz ONHOJKGXSMUAOE-SSDOTTSWSA-N -1 0 314.319 -0.440 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000229032324 960054471 /nfs/dbraw/zinc/05/44/71/960054471.db2.gz VXIXXAQHVBIPGG-VIFPVBQESA-N -1 0 319.335 -0.321 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000229032605 960054654 /nfs/dbraw/zinc/05/46/54/960054654.db2.gz KAUFCJNHYQZRDG-SECBINFHSA-N -1 0 319.335 -0.564 20 0 DBADRM COC[C@H](O)CCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000230132319 960128860 /nfs/dbraw/zinc/12/88/60/960128860.db2.gz NLDPUPVIVKNMNJ-LLVKDONJSA-N -1 0 317.363 -0.011 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)NCCCOCCO)cc1 ZINC000230765586 960162862 /nfs/dbraw/zinc/16/28/62/960162862.db2.gz XYCWQMCHMJPKKW-UHFFFAOYSA-N -1 0 317.363 -0.009 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCCS(=O)(=O)N(C)C ZINC000231024616 960178562 /nfs/dbraw/zinc/17/85/62/960178562.db2.gz KQFKAGLQEUXKEN-UHFFFAOYSA-N -1 0 317.367 -0.049 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000231019247 960178571 /nfs/dbraw/zinc/17/85/71/960178571.db2.gz WACTVRPQNNLCHF-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000231024659 960178641 /nfs/dbraw/zinc/17/86/41/960178641.db2.gz WQCNYYGVBZLLAG-NXEZZACHSA-N -1 0 306.384 -0.115 20 0 DBADRM CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000232280442 960256365 /nfs/dbraw/zinc/25/63/65/960256365.db2.gz HRPVMORMLFYBLW-SSDOTTSWSA-N -1 0 316.339 -0.745 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)[C@@H](C)C(=O)NCCC(C)C)C(=O)[O-] ZINC000232553446 960282797 /nfs/dbraw/zinc/28/27/97/960282797.db2.gz CVYFSSWIBOUWHR-UQKYIBTBSA-N -1 0 320.411 -0.125 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)Cc1ncnn1CC(C)C)C(=O)[O-] ZINC000232650490 960289687 /nfs/dbraw/zinc/28/96/87/960289687.db2.gz SEPPVKSXULUDFI-CWKPULSASA-N -1 0 316.383 -0.228 20 0 DBADRM CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000234383590 960352758 /nfs/dbraw/zinc/35/27/58/960352758.db2.gz MQDXNJSSBKSTRX-ZCFIWIBFSA-N -1 0 321.380 -0.156 20 0 DBADRM COC[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)OC ZINC000234726672 960365121 /nfs/dbraw/zinc/36/51/21/960365121.db2.gz RWZBFJTWBJIZMH-MRVPVSSYSA-N -1 0 306.340 -0.337 20 0 DBADRM COc1cccc(CS(=O)(=O)C[C@H](NC(C)=O)C(=O)[O-])n1 ZINC000234898440 960375473 /nfs/dbraw/zinc/37/54/73/960375473.db2.gz RKIMUHSGASLUPC-JTQLQIEISA-N -1 0 316.335 -0.406 20 0 DBADRM COc1ncccc1CS(=O)(=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000234918961 960376814 /nfs/dbraw/zinc/37/68/14/960376814.db2.gz LPJRNEMILNTFIM-JTQLQIEISA-N -1 0 316.335 -0.406 20 0 DBADRM C[C@@H](NC(=O)c1cccs1)C(=O)NCC[C@H](O)C(=O)[O-] ZINC000235181806 960394221 /nfs/dbraw/zinc/39/42/21/960394221.db2.gz SEZSOKZQSJPASD-SFYZADRCSA-N -1 0 300.336 -0.182 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000235353257 960419265 /nfs/dbraw/zinc/41/92/65/960419265.db2.gz DJWCAYIZLUCQLC-GMTAPVOTSA-N -1 0 318.395 -0.525 20 0 DBADRM C[C@@]1(C(N)=O)CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000235385035 960425854 /nfs/dbraw/zinc/42/58/54/960425854.db2.gz NOIPBNQCBKATNN-GFCCVEGCSA-N -1 0 319.383 -0.775 20 0 DBADRM Cc1oc(C)c(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c1C(=O)[O-] ZINC000235963314 960537948 /nfs/dbraw/zinc/53/79/48/960537948.db2.gz XAZLCTYCHPTAFT-YUMQZZPRSA-N -1 0 305.308 -0.679 20 0 DBADRM Cn1cnc(CNS(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000236137853 960555892 /nfs/dbraw/zinc/55/58/92/960555892.db2.gz HWUAABHVGLYKDY-UHFFFAOYSA-N -1 0 310.335 -0.079 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCC[C@@H]2CCOC2)cn1 ZINC000236430124 960587177 /nfs/dbraw/zinc/58/71/77/960587177.db2.gz LBKBYBNWAMWFDG-SECBINFHSA-N -1 0 303.340 -0.327 20 0 DBADRM N#Cc1ncccc1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000236430948 960588975 /nfs/dbraw/zinc/58/89/75/960588975.db2.gz BUUIPRHGSOGIDO-SECBINFHSA-N -1 0 311.319 -0.183 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c(F)c1 ZINC000236599576 960715241 /nfs/dbraw/zinc/71/52/41/960715241.db2.gz ZNQUTBAGTNAUJG-IUCAKERBSA-N -1 0 305.283 -0.750 20 0 DBADRM CN1CCN(CC(=O)NCC2(CC(=O)[O-])CCCC2)CC1=O ZINC001598616386 1017345672 /nfs/dbraw/zinc/34/56/72/1017345672.db2.gz SOWRPMFMQSCGMA-UHFFFAOYSA-N -1 0 311.382 -0.088 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CC3(C2)C[C@H](O)CNC3=O)nc1 ZINC001571083915 961024950 /nfs/dbraw/zinc/02/49/50/961024950.db2.gz BULYCPNCQPYXOY-VIFPVBQESA-N -1 0 305.290 -0.897 20 0 DBADRM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)nnn1-c1cnn(C)c1 ZINC001571085593 961053887 /nfs/dbraw/zinc/05/38/87/961053887.db2.gz RFKQOXWUVNJZFS-SECBINFHSA-N -1 0 304.310 -0.144 20 0 DBADRM CC(C)OC[C@H](O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000250581289 961221031 /nfs/dbraw/zinc/22/10/31/961221031.db2.gz JFOBOZGRFFKDBT-GHMZBOCLSA-N -1 0 309.384 -0.654 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000251028774 961235621 /nfs/dbraw/zinc/23/56/21/961235621.db2.gz JFFMTZPKILCZSU-PSASIEDQSA-N -1 0 304.368 -0.773 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000252609289 961280485 /nfs/dbraw/zinc/28/04/85/961280485.db2.gz TUCQVQAGPDDROS-OPRDCNLKSA-N -1 0 304.368 -0.268 20 0 DBADRM CC[C@H](NC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC001571112568 961354313 /nfs/dbraw/zinc/35/43/13/961354313.db2.gz OHNUNJGADFMBFV-QWRGUYRKSA-N -1 0 312.297 -0.104 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000262155359 961506127 /nfs/dbraw/zinc/50/61/27/961506127.db2.gz UJJQWMHEUKPRRX-UHFFFAOYSA-N -1 0 304.324 -0.125 20 0 DBADRM CC(C)(C)n1cc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])nn1 ZINC001571131484 961558216 /nfs/dbraw/zinc/55/82/16/961558216.db2.gz ICVOZCIJDZFFQA-SNVBAGLBSA-N -1 0 316.383 -0.283 20 0 DBADRM CC(C)(O)CC(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001485567338 1013277121 /nfs/dbraw/zinc/27/71/21/1013277121.db2.gz KHSGVUCCSNJQJQ-VIFPVBQESA-N -1 0 311.386 -0.002 20 0 DBADRM CNc1nc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cs1 ZINC001571143931 961698621 /nfs/dbraw/zinc/69/86/21/961698621.db2.gz BHJNISCLVONHMI-SSDOTTSWSA-N -1 0 319.364 -0.491 20 0 DBADRM CNc1nc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cs1 ZINC001571143933 961699135 /nfs/dbraw/zinc/69/91/35/961699135.db2.gz BHJNISCLVONHMI-ZETCQYMHSA-N -1 0 319.364 -0.491 20 0 DBADRM NC(=O)c1ncn(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n1 ZINC001571150975 961803419 /nfs/dbraw/zinc/80/34/19/961803419.db2.gz PNUTWVHGLMKWHX-GUBZILKMSA-N -1 0 321.337 -0.379 20 0 DBADRM CN1CCN(S(=O)(=O)N[C@]2(CC(=O)[O-])CCCOC2)CC1 ZINC001598621372 1017352561 /nfs/dbraw/zinc/35/25/61/1017352561.db2.gz OZMYJFQUCXFPFK-LBPRGKRZSA-N -1 0 321.399 -0.908 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)CCO1 ZINC001349971064 962514819 /nfs/dbraw/zinc/51/48/19/962514819.db2.gz MPAZEQDXDFAGIE-NNYUYHANSA-N -1 0 310.350 -0.007 20 0 DBADRM Cc1ncoc1C(=O)NCCOCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001485771534 1013353084 /nfs/dbraw/zinc/35/30/84/1013353084.db2.gz ZRMSDWHBLPEDKX-UHFFFAOYSA-N -1 0 324.341 -0.315 20 0 DBADRM CNC(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001598630229 1017357562 /nfs/dbraw/zinc/35/75/62/1017357562.db2.gz KKTNOYWGOAYJBV-ZETCQYMHSA-N -1 0 311.319 -0.586 20 0 DBADRM COC[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000263447380 962631511 /nfs/dbraw/zinc/63/15/11/962631511.db2.gz NMUNVWRUHRSKOP-NSHDSACASA-N -1 0 320.301 -0.112 20 0 DBADRM COC[C@@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000263447379 962631935 /nfs/dbraw/zinc/63/19/35/962631935.db2.gz NMUNVWRUHRSKOP-LLVKDONJSA-N -1 0 320.301 -0.112 20 0 DBADRM CN1C[C@@H](n2nnnc2N2CCC(CC(=O)[O-])CC2)CC1=O ZINC001598628793 1017359594 /nfs/dbraw/zinc/35/95/94/1017359594.db2.gz XFPLIJOQTOOYEG-JTQLQIEISA-N -1 0 308.342 -0.233 20 0 DBADRM CC(C)(CN1CCOCC1)NS(=O)(=O)CCCC(=O)[O-] ZINC000308576982 963287922 /nfs/dbraw/zinc/28/79/22/963287922.db2.gz KDBHSNKOPACQLZ-UHFFFAOYSA-N -1 0 308.400 -0.119 20 0 DBADRM CNC(=O)[C@]1(C)CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001598633664 1017361738 /nfs/dbraw/zinc/36/17/38/1017361738.db2.gz PXUCZBMFDGKKEU-CYBMUJFWSA-N -1 0 309.326 -0.042 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@@H]2CC[C@H](CCC(=O)[O-])O2)CCO1 ZINC001598636677 1017362148 /nfs/dbraw/zinc/36/21/48/1017362148.db2.gz AAJNTJGFBHOARX-OUAUKWLOSA-N -1 0 314.338 -0.628 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000311742870 963508248 /nfs/dbraw/zinc/50/82/48/963508248.db2.gz SCNRGXISODBBIL-ZETCQYMHSA-N -1 0 309.365 -0.190 20 0 DBADRM Cc1c[nH]nc1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000312239170 963546280 /nfs/dbraw/zinc/54/62/80/963546280.db2.gz BIXNGEBATZXMJJ-MRVPVSSYSA-N -1 0 301.324 -0.568 20 0 DBADRM COC[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccn1)OC ZINC000312365627 963556505 /nfs/dbraw/zinc/55/65/05/963556505.db2.gz ZWWRXPRPUMPESM-SECBINFHSA-N -1 0 304.324 -0.281 20 0 DBADRM CN(c1cnc(C(=O)[O-])cn1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000312508338 963570118 /nfs/dbraw/zinc/57/01/18/963570118.db2.gz MQVPMIBBAUCFME-QMMMGPOBSA-N -1 0 300.340 -0.355 20 0 DBADRM COCC(C)(C)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000312593477 963576319 /nfs/dbraw/zinc/57/63/19/963576319.db2.gz QKAAWIBUQLEPET-UHFFFAOYSA-N -1 0 305.356 -0.081 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000313379751 963639320 /nfs/dbraw/zinc/63/93/20/963639320.db2.gz RABWACRXKFDBGA-QMMMGPOBSA-N -1 0 304.324 -0.856 20 0 DBADRM C[C@](CO)(NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000313508397 963653422 /nfs/dbraw/zinc/65/34/22/963653422.db2.gz NKEZHICMBQOWDO-LHLIQPBNSA-N -1 0 312.244 -0.651 20 0 DBADRM C[C@](CO)(NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)[O-] ZINC000313512483 963654535 /nfs/dbraw/zinc/65/45/35/963654535.db2.gz UGIYVNJATXFJEP-GFCCVEGCSA-N -1 0 316.335 -0.377 20 0 DBADRM CC(C)C(=O)N1CCC(C(=O)N[C@@](C)(CO)C(=O)[O-])CC1 ZINC000313527975 963661562 /nfs/dbraw/zinc/66/15/62/963661562.db2.gz YOLSOACZKUYCJQ-AWEZNQCLSA-N -1 0 300.355 -0.167 20 0 DBADRM O=C([O-])/C=C\c1ccc(S(=O)(=O)N[C@@H]2CNC(=O)C2)cc1 ZINC000313742133 963678629 /nfs/dbraw/zinc/67/86/29/963678629.db2.gz UBQDVECJRPSYCP-NWPZZWLHSA-N -1 0 310.331 -0.049 20 0 DBADRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000313892648 963689406 /nfs/dbraw/zinc/68/94/06/963689406.db2.gz FDVZLWLPQKLXQX-RXMQYKEDSA-N -1 0 309.200 -0.529 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000314148971 963717598 /nfs/dbraw/zinc/71/75/98/963717598.db2.gz HDAADDLWXHYIJU-MRVPVSSYSA-N -1 0 321.326 -0.112 20 0 DBADRM CC(C)S(=O)(=O)CCNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000314221291 963727557 /nfs/dbraw/zinc/72/75/57/963727557.db2.gz UVXWNXKPJFJZLM-SNVBAGLBSA-N -1 0 322.383 -0.305 20 0 DBADRM C[C@H](NC(N)=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000314249102 963731689 /nfs/dbraw/zinc/73/16/89/963731689.db2.gz KBZKCRYVPIINNP-ZETCQYMHSA-N -1 0 308.294 -0.504 20 0 DBADRM Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NCC(=O)NCC(=O)[O-] ZINC000314262256 963732973 /nfs/dbraw/zinc/73/29/73/963732973.db2.gz SJWSICWEOUCMEK-UHFFFAOYSA-N -1 0 310.310 -0.455 20 0 DBADRM CN(C)C(=O)N1CCC(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])CC1 ZINC000314443376 963754601 /nfs/dbraw/zinc/75/46/01/963754601.db2.gz HNPKGBLRUDQENL-MNOVXSKESA-N -1 0 313.354 -0.574 20 0 DBADRM NC(=O)c1cccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC000314489776 963759800 /nfs/dbraw/zinc/75/98/00/963759800.db2.gz RCUYCWNHQOSTMM-NSHDSACASA-N -1 0 302.290 -0.066 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@H](CC(F)F)C(=O)[O-])CC1=O ZINC000314856660 963821660 /nfs/dbraw/zinc/82/16/60/963821660.db2.gz WECFRZBOYCAAOI-HTQZYQBOSA-N -1 0 308.281 -0.294 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000314884574 963825135 /nfs/dbraw/zinc/82/51/35/963825135.db2.gz GDIWXVQGDFQBTF-VIFPVBQESA-N -1 0 317.319 -0.495 20 0 DBADRM COCC[C@H](NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)C(=O)[O-] ZINC000315021301 963846017 /nfs/dbraw/zinc/84/60/17/963846017.db2.gz IDEXLCYVDCICAS-VIFPVBQESA-N -1 0 313.310 -0.265 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC000315399956 963895461 /nfs/dbraw/zinc/89/54/61/963895461.db2.gz LUWNDZFZFQQLMS-WDEREUQCSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(=O)c1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n(C)c1 ZINC000315427936 963898536 /nfs/dbraw/zinc/89/85/36/963898536.db2.gz OVNPCXLOEBJXDI-JTQLQIEISA-N -1 0 307.306 -0.357 20 0 DBADRM COCC[C@@H](NC(=O)c1ccc(-n2cncn2)nc1)C(=O)[O-] ZINC000315671552 963924638 /nfs/dbraw/zinc/92/46/38/963924638.db2.gz WKTMRUOVZBHCFV-SNVBAGLBSA-N -1 0 305.294 -0.118 20 0 DBADRM CC(=O)c1cc(C(=O)NCCn2cc(C(=O)[O-])nn2)n(C)c1 ZINC000315832407 963940138 /nfs/dbraw/zinc/94/01/38/963940138.db2.gz ANSLGXVSEIPWCJ-UHFFFAOYSA-N -1 0 305.294 -0.053 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@H]2CC(=O)N(C3CC3)C2)nn1 ZINC000315879279 963946105 /nfs/dbraw/zinc/94/61/05/963946105.db2.gz KCTZPBIFKCGPGR-QMMMGPOBSA-N -1 0 307.310 -0.897 20 0 DBADRM NC(=O)c1cccc(C(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC000315943365 963955751 /nfs/dbraw/zinc/95/57/51/963955751.db2.gz SYVUZIUGKVZTOZ-UHFFFAOYSA-N -1 0 303.278 -0.495 20 0 DBADRM CC(C)CN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000316064782 963971162 /nfs/dbraw/zinc/97/11/62/963971162.db2.gz YBQRYZJPGRYJOB-UHFFFAOYSA-N -1 0 305.312 -0.495 20 0 DBADRM NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000316067692 963972369 /nfs/dbraw/zinc/97/23/69/963972369.db2.gz YJBDKITYKFOAGG-SSDOTTSWSA-N -1 0 303.296 -0.599 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)N2C[C@H](O)[C@H](CO)C2)c1 ZINC000316265228 963995832 /nfs/dbraw/zinc/99/58/32/963995832.db2.gz QMHVSXWREYDAIJ-CABZTGNLSA-N -1 0 310.306 -0.033 20 0 DBADRM Cn1cc(CCNC(=O)NCCn2cc(C(=O)[O-])nn2)cn1 ZINC000316403308 964008725 /nfs/dbraw/zinc/00/87/25/964008725.db2.gz UEUIRBRIDOAQCH-UHFFFAOYSA-N -1 0 307.314 -0.748 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)N2C[C@H](CO)[C@H](O)C2)cc1 ZINC000316706670 964045874 /nfs/dbraw/zinc/04/58/74/964045874.db2.gz QUOGRRCALZJJSI-CHWSQXEVSA-N -1 0 308.334 -0.078 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC000316730647 964048147 /nfs/dbraw/zinc/04/81/47/964048147.db2.gz AGXPDDZGFXZUEO-PSASIEDQSA-N -1 0 312.322 -0.480 20 0 DBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000316796504 964056020 /nfs/dbraw/zinc/05/60/20/964056020.db2.gz GSBRWRJFRUWGAW-MWLCHTKSSA-N -1 0 315.347 -0.333 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)C(=O)[O-] ZINC000316902059 964071286 /nfs/dbraw/zinc/07/12/86/964071286.db2.gz YZKMBCYJBWPKRI-GHMZBOCLSA-N -1 0 314.338 -0.233 20 0 DBADRM COc1ccc(NC(=O)CN2C(=O)CNC2=O)c(C(=O)[O-])c1 ZINC000317043089 964090800 /nfs/dbraw/zinc/09/08/00/964090800.db2.gz VSNIXCAKUVDKPJ-UHFFFAOYSA-N -1 0 307.262 -0.116 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)NC2CC(C(=O)[O-])C2)CC1 ZINC001598641909 1017366871 /nfs/dbraw/zinc/36/68/71/1017366871.db2.gz FAYAPGZQTGPRBU-UHFFFAOYSA-N -1 0 312.370 -0.641 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)N[C@@H](C)c2ncccn2)c1[O-] ZINC001485986448 1013505119 /nfs/dbraw/zinc/50/51/19/1013505119.db2.gz CNFKKPLYMFEOJV-VHSXEESVSA-N -1 0 320.353 -0.345 20 0 DBADRM CNC(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)OC(C)(C)C ZINC001598650753 1017370128 /nfs/dbraw/zinc/37/01/28/1017370128.db2.gz FDWCBTDKLOOEMN-QMMMGPOBSA-N -1 0 317.342 -0.393 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001486018748 1013569385 /nfs/dbraw/zinc/56/93/85/1013569385.db2.gz DQTWXUUSPHEBNV-WISYIIOYSA-N -1 0 323.397 -0.097 20 0 DBADRM Cc1ccoc1CC(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001486034425 1013601834 /nfs/dbraw/zinc/60/18/34/1013601834.db2.gz QHFXDMNDAASKBM-VIFPVBQESA-N -1 0 309.326 -0.779 20 0 DBADRM CNC(=O)N[C@H]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001598653594 1017371920 /nfs/dbraw/zinc/37/19/20/1017371920.db2.gz VQARJWVMCJXQQL-QMMMGPOBSA-N -1 0 307.310 -0.292 20 0 DBADRM CNC(=O)Nc1cccc(C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001598655045 1017372633 /nfs/dbraw/zinc/37/26/33/1017372633.db2.gz UUNOQTXUJRIOMU-UHFFFAOYSA-N -1 0 308.294 -0.632 20 0 DBADRM O=C(Cc1ccccc1F)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001486058360 1013637874 /nfs/dbraw/zinc/63/78/74/1013637874.db2.gz YCFCDDRQEQFFIP-SNVBAGLBSA-N -1 0 323.328 -0.541 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1CCN(CC[S@](C)=O)CC1 ZINC001598696941 1017394261 /nfs/dbraw/zinc/39/42/61/1017394261.db2.gz CIWQYLZPRLMFJN-FIKIJFGZSA-N -1 0 320.411 -0.611 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])CC1 ZINC001598720243 1017397881 /nfs/dbraw/zinc/39/78/81/1017397881.db2.gz SEPKNWSARWYDBV-LURJTMIESA-N -1 0 315.294 -0.033 20 0 DBADRM COC(=O)[C@@H]1CC(F)(F)CN1S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001598894571 1017468273 /nfs/dbraw/zinc/46/82/73/1017468273.db2.gz ZIYSWYMKOLUTAM-RQJHMYQMSA-N -1 0 315.294 -0.081 20 0 DBADRM COC(=O)[C@]12C[C@H]1C[C@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C2 ZINC001598901812 1017472499 /nfs/dbraw/zinc/47/24/99/1017472499.db2.gz UKOFANCXROAZQZ-NHRVJRKFSA-N -1 0 305.352 -0.032 20 0 DBADRM COC[C@@H](CS(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1)OC ZINC001599165910 1017539134 /nfs/dbraw/zinc/53/91/34/1017539134.db2.gz VPFOXOSENJRALV-GXSJLCMTSA-N -1 0 311.356 -0.799 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H](NC(N)=O)C(C)C ZINC001599190611 1017548227 /nfs/dbraw/zinc/54/82/27/1017548227.db2.gz LNLGRQJECWHLHF-TVQRCGJNSA-N -1 0 301.343 -0.229 20 0 DBADRM COC[C@@H](CNS(=O)(=O)c1cccnc1C(=O)[O-])OC ZINC001599166715 1017539083 /nfs/dbraw/zinc/53/90/83/1017539083.db2.gz PNESZHGYQDXUPZ-MRVPVSSYSA-N -1 0 304.324 -0.281 20 0 DBADRM COCCN(CC(=O)N(C)C)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001599233148 1017564930 /nfs/dbraw/zinc/56/49/30/1017564930.db2.gz DKKWKXKREUVESQ-UHFFFAOYSA-N -1 0 324.399 -0.536 20 0 DBADRM CS(=O)(=O)[C@H]1CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001599746903 1017617444 /nfs/dbraw/zinc/61/74/44/1017617444.db2.gz UBWSGUIVMAKQFL-VHSXEESVSA-N -1 0 304.368 -0.819 20 0 DBADRM CS(=O)(=O)Cc1nc(COC(=O)COCC(=O)[O-])cs1 ZINC001599753511 1017621920 /nfs/dbraw/zinc/62/19/20/1017621920.db2.gz UQKDJGDUBXEIQW-UHFFFAOYSA-N -1 0 323.348 -0.168 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)N[C@H](CF)C(=O)[O-])o1 ZINC001599761465 1017626489 /nfs/dbraw/zinc/62/64/89/1017626489.db2.gz PIYICFDPQJNWGS-SSDOTTSWSA-N -1 0 308.287 -0.519 20 0 DBADRM C[S@](=O)CCN1CCN(C[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1 ZINC001599776391 1017630852 /nfs/dbraw/zinc/63/08/52/1017630852.db2.gz HBZCBUNXBBGMMC-VUPYVKPUSA-N -1 0 310.366 -0.052 20 0 DBADRM CS(C)(=O)=NCCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001599781885 1017631045 /nfs/dbraw/zinc/63/10/45/1017631045.db2.gz XGBOZFZSFBKWLO-UHFFFAOYSA-N -1 0 321.380 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCSCC2)C[C@@H](C(=O)[O-])O1 ZINC001599911095 1017660243 /nfs/dbraw/zinc/66/02/43/1017660243.db2.gz QJAOSNQINGETIG-IUCAKERBSA-N -1 0 302.352 -0.738 20 0 DBADRM O=C([O-])C1(O)CN(c2ncc(I)cn2)C1 ZINC001601726429 1017869495 /nfs/dbraw/zinc/86/94/95/1017869495.db2.gz NMZAQPPORSULTM-UHFFFAOYSA-N -1 0 321.074 -0.283 20 0 DBADRM NS(=O)(=O)CCCCCCC(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601193400 1017823712 /nfs/dbraw/zinc/82/37/12/1017823712.db2.gz YLDZSTSNIFHOTL-GXSJLCMTSA-N -1 0 322.383 -0.416 20 0 DBADRM CCCc1cc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])n(C)n1 ZINC001596056776 1017112107 /nfs/dbraw/zinc/11/21/07/1017112107.db2.gz FKXCJDGRHGLTQH-SECBINFHSA-N -1 0 312.326 -0.737 20 0 DBADRM NS(=O)(=O)CCCNC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000054305194 967538645 /nfs/dbraw/zinc/53/86/45/967538645.db2.gz UVRMTZKBEUXADY-SECBINFHSA-N -1 0 307.372 -0.439 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000230759924 967732522 /nfs/dbraw/zinc/73/25/22/967732522.db2.gz OJAYEHIHKJWBPE-MRVPVSSYSA-N -1 0 309.244 -0.078 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000231022307 967736671 /nfs/dbraw/zinc/73/66/71/967736671.db2.gz AWIJDEPWDIKKTR-SECBINFHSA-N -1 0 307.372 -0.616 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1c[nH]nc1Cl ZINC001606326563 1018810525 /nfs/dbraw/zinc/81/05/25/1018810525.db2.gz XYNRHAYJOLJGLU-BYPYZUCNSA-N -1 0 311.703 -0.642 20 0 DBADRM CCC[C@@H](NS(=O)(=O)CCn1nc(C)oc1=O)C(=O)[O-] ZINC001596001951 1017113394 /nfs/dbraw/zinc/11/33/94/1017113394.db2.gz JFWWITLZCKOZIT-MRVPVSSYSA-N -1 0 307.328 -0.683 20 0 DBADRM COC(=O)CC[C@H](C(=O)[O-])N1CCN(C(=O)N(C)C)CC1 ZINC001606449023 1018841903 /nfs/dbraw/zinc/84/19/03/1018841903.db2.gz LVDHJVTUUOIRME-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM COCCn1nc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)ccc1=O ZINC000316352986 967978752 /nfs/dbraw/zinc/97/87/52/967978752.db2.gz ZIISDIAOJLKHSD-UHFFFAOYSA-N -1 0 307.266 -0.437 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC001607371287 1018995340 /nfs/dbraw/zinc/99/53/40/1018995340.db2.gz JDWMATRGOQGZRK-UHFFFAOYSA-N -1 0 304.368 -0.363 20 0 DBADRM CSCCCCNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001607396927 1019003643 /nfs/dbraw/zinc/00/36/43/1019003643.db2.gz QDRZFIXKPVJWOF-VHSXEESVSA-N -1 0 318.395 -0.460 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC[C@@H](N3CCOCC3)C2)nn1 ZINC000382519553 968099383 /nfs/dbraw/zinc/09/93/83/968099383.db2.gz ABBQUXHZMSXGLF-LLVKDONJSA-N -1 0 323.353 -0.701 20 0 DBADRM C[C@@H](C(=O)[O-])N(C1CC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000383463095 968114117 /nfs/dbraw/zinc/11/41/17/968114117.db2.gz BDIWCTGABWZLNB-ZETCQYMHSA-N -1 0 315.351 -0.250 20 0 DBADRM CN1CC(=O)N(CCCC(=O)Nc2cnn(CC(=O)[O-])c2)C1=O ZINC000390875138 968185458 /nfs/dbraw/zinc/18/54/58/968185458.db2.gz HNVRDTBCRKRQRF-UHFFFAOYSA-N -1 0 323.309 -0.420 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000398836783 968280521 /nfs/dbraw/zinc/28/05/21/968280521.db2.gz NJWIRZGHFPKQPL-OPRDCNLKSA-N -1 0 304.368 -0.074 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(Cc2oncc2C(=O)[O-])C1 ZINC001610145868 1019632649 /nfs/dbraw/zinc/63/26/49/1019632649.db2.gz FSWRZNSXBDLUID-MRVPVSSYSA-N -1 0 303.340 -0.114 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001609787307 1019563645 /nfs/dbraw/zinc/56/36/45/1019563645.db2.gz OSDZCKHKDPIMGQ-QMMMGPOBSA-N -1 0 304.324 -0.856 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)C(C)(C)F ZINC001486321279 1013810872 /nfs/dbraw/zinc/81/08/72/1013810872.db2.gz NSKNAINEPHCWSW-MRVPVSSYSA-N -1 0 303.338 -0.491 20 0 DBADRM Cc1cnoc1C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001486352932 1013827815 /nfs/dbraw/zinc/82/78/15/1013827815.db2.gz QGRTUPREQQIGRL-SECBINFHSA-N -1 0 324.341 -0.628 20 0 DBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@@H](C)NC(=O)C(F)F ZINC001486628742 1013865530 /nfs/dbraw/zinc/86/55/30/1013865530.db2.gz YFAQGRBXIISIEV-PHDIDXHHSA-N -1 0 318.280 -0.626 20 0 DBADRM CC(=O)NC[C@@H](C)N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001486780086 1013881042 /nfs/dbraw/zinc/88/10/42/1013881042.db2.gz OHGXVPKJDQPSQK-MRVPVSSYSA-N -1 0 306.326 -0.946 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001588566428 1021116577 /nfs/dbraw/zinc/11/65/77/1021116577.db2.gz XARBKLSENLHYSV-UWVGGRQHSA-N -1 0 306.384 -0.163 20 0 DBADRM O=C([O-])C1(CNC(=O)NCC(=O)N2CCCC2)CCOCC1 ZINC000317317985 970348232 /nfs/dbraw/zinc/34/82/32/970348232.db2.gz DWBUZSWKJZNZPN-UHFFFAOYSA-N -1 0 313.354 -0.211 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1=O ZINC000317780474 970387500 /nfs/dbraw/zinc/38/75/00/970387500.db2.gz XHHWAQWTMNYWNG-DTWKUNHWSA-N -1 0 313.310 -0.981 20 0 DBADRM N#Cc1ncccc1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC000318280264 970422221 /nfs/dbraw/zinc/42/22/21/970422221.db2.gz COONDMOJYBFILP-UHFFFAOYSA-N -1 0 324.362 -0.266 20 0 DBADRM COc1ccccc1CNC(=O)CN1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000318388934 970431054 /nfs/dbraw/zinc/43/10/54/970431054.db2.gz DGXZJTDWBQEMGR-VXGBXAGGSA-N -1 0 308.334 -0.169 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1CC(=O)NC(=O)NC1CCCCC1 ZINC000318746876 970467961 /nfs/dbraw/zinc/46/79/61/970467961.db2.gz JANQKASVSPAQDO-GHMZBOCLSA-N -1 0 313.354 -0.335 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN1CC(=O)NC(=O)NC1CCCCC1 ZINC000318746883 970468049 /nfs/dbraw/zinc/46/80/49/970468049.db2.gz JANQKASVSPAQDO-QWRGUYRKSA-N -1 0 313.354 -0.335 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(c3cnccn3)CC2)O1 ZINC000318796827 970473621 /nfs/dbraw/zinc/47/36/21/970473621.db2.gz VYPRDJHFZHRREK-MNOVXSKESA-N -1 0 306.322 -0.243 20 0 DBADRM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC(=O)NCC(=O)[O-] ZINC000319331315 970524994 /nfs/dbraw/zinc/52/49/94/970524994.db2.gz JVKULNBPERDSRA-UHFFFAOYSA-N -1 0 313.241 -0.027 20 0 DBADRM CO[C@@H]1CN(C(=O)NCCn2cc(C(=O)[O-])nn2)C[C@@H]1OC ZINC000320037413 970604694 /nfs/dbraw/zinc/60/46/94/970604694.db2.gz ICPLIXMLBZNZLC-AOOOYVTPSA-N -1 0 313.314 -0.969 20 0 DBADRM COc1cc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)ccc1C(=O)[O-] ZINC000320518220 970674395 /nfs/dbraw/zinc/67/43/95/970674395.db2.gz GVOZXKGBRCGUCZ-QMMMGPOBSA-N -1 0 307.262 -0.070 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)Cn2cncn2)c1[O-] ZINC001487751358 1014028714 /nfs/dbraw/zinc/02/87/14/1014028714.db2.gz MJEXNCPZDQDLAM-MRVPVSSYSA-N -1 0 321.341 -0.708 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)Cc2cn3ccccc3n2)nn1 ZINC000321268168 970756728 /nfs/dbraw/zinc/75/67/28/970756728.db2.gz RPAIMHXHIUYCOS-UHFFFAOYSA-N -1 0 314.305 -0.017 20 0 DBADRM CC[C@](COC)(NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000392884267 972538286 /nfs/dbraw/zinc/53/82/86/972538286.db2.gz OWTBSSVEGOTGRH-BXKDBHETSA-N -1 0 322.383 -0.305 20 0 DBADRM Cc1nnc(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)n1C ZINC000393175870 972567009 /nfs/dbraw/zinc/56/70/09/972567009.db2.gz IRFMRIPKTUXQOM-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1ccc[nH]1 ZINC001487856658 1014045376 /nfs/dbraw/zinc/04/53/76/1014045376.db2.gz SISXSEIBLMGEMQ-QMMMGPOBSA-N -1 0 322.325 -0.706 20 0 DBADRM C[S@@](=O)C1(CNC(=O)Cn2cc(C(=O)[O-])nn2)CCC1 ZINC000393772094 972638812 /nfs/dbraw/zinc/63/88/12/972638812.db2.gz ZMRGYKPCAMZXJX-HXUWFJFHSA-N -1 0 300.340 -0.606 20 0 DBADRM CCN(CC1CCC1)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001596294427 1017122054 /nfs/dbraw/zinc/12/20/54/1017122054.db2.gz ZLZGPHLHWZZBOZ-NEPJUHHUSA-N -1 0 312.366 -0.071 20 0 DBADRM CCN(CC)C(=O)COC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001596247632 1017122491 /nfs/dbraw/zinc/12/24/91/1017122491.db2.gz GWJZARWWMMAIIS-UHFFFAOYSA-N -1 0 310.306 -0.042 20 0 DBADRM CCN(CC)C(=O)CN1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001596246157 1017122513 /nfs/dbraw/zinc/12/25/13/1017122513.db2.gz ZJFQMNLJDBTSLH-ZJUUUORDSA-N -1 0 311.338 -0.018 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CCC2(C1)OCCO2 ZINC000396516133 972910628 /nfs/dbraw/zinc/91/06/28/972910628.db2.gz BKPBRKODUJOSQS-UHFFFAOYSA-N -1 0 320.348 -0.021 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N2CC[C@H](O)[C@H](CO)C2)c1 ZINC000396883090 972947578 /nfs/dbraw/zinc/94/75/78/972947578.db2.gz MBKDQFJLQPNJJS-UWVGGRQHSA-N -1 0 316.335 -0.856 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N2CC[C@H](O)[C@@H](CO)C2)c1 ZINC000396883095 972947617 /nfs/dbraw/zinc/94/76/17/972947617.db2.gz MBKDQFJLQPNJJS-ZJUUUORDSA-N -1 0 316.335 -0.856 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)Nc2ccncc2C(=O)[O-])C1=O ZINC000397369245 972993609 /nfs/dbraw/zinc/99/36/09/972993609.db2.gz FAPAWQOUVVLJGP-UHFFFAOYSA-N -1 0 306.278 -0.529 20 0 DBADRM O=C([O-])c1cnccc1NC(=O)Cn1nc2ccccn2c1=O ZINC000397373805 972995304 /nfs/dbraw/zinc/99/53/04/972995304.db2.gz SWTTVAWNENXULU-UHFFFAOYSA-N -1 0 313.273 -0.350 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000397521327 973006525 /nfs/dbraw/zinc/00/65/25/973006525.db2.gz KFCGBTWTQOYKPC-UHFFFAOYSA-N -1 0 308.337 -0.256 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000397529700 973007958 /nfs/dbraw/zinc/00/79/58/973007958.db2.gz ZLAWUKCFMCXJKX-UHFFFAOYSA-N -1 0 302.308 -0.317 20 0 DBADRM Cn1nnc(CNS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)n1 ZINC000398043856 973058644 /nfs/dbraw/zinc/05/86/44/973058644.db2.gz AANSTDKBQBWDLU-UHFFFAOYSA-N -1 0 311.323 -0.472 20 0 DBADRM Cn1nnc(CNC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)n1 ZINC000398164059 973076525 /nfs/dbraw/zinc/07/65/25/973076525.db2.gz KWHGFRQFIOGXJF-VIFPVBQESA-N -1 0 322.247 -0.241 20 0 DBADRM C[C@]12CCC(=O)N1[C@H](C(=O)NC[C@H](O)CC(=O)[O-])CS2 ZINC000398222934 973085707 /nfs/dbraw/zinc/08/57/07/973085707.db2.gz DCKZCEWWGIFKHX-LWINAJNOSA-N -1 0 302.352 -0.608 20 0 DBADRM N#Cc1cc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])ccc1F ZINC000398220542 973086055 /nfs/dbraw/zinc/08/60/55/973086055.db2.gz CTZXHTJSMDINNI-MRVPVSSYSA-N -1 0 302.283 -0.189 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Cn1cnc2sccc2c1=O ZINC000398268507 973099360 /nfs/dbraw/zinc/09/93/60/973099360.db2.gz FUANSAQTKGNOKG-SSDOTTSWSA-N -1 0 311.319 -0.590 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000398269237 973099575 /nfs/dbraw/zinc/09/95/75/973099575.db2.gz GGFQGBWEUJNZSN-BQBZGAKWSA-N -1 0 312.244 -0.651 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000398283035 973102741 /nfs/dbraw/zinc/10/27/41/973102741.db2.gz XCMVAYLLOYCNRB-ZETCQYMHSA-N -1 0 304.280 -0.291 20 0 DBADRM C[C@H](CNC(=O)NCCCCCCC(=O)[O-])S(N)(=O)=O ZINC000398336637 973121353 /nfs/dbraw/zinc/12/13/53/973121353.db2.gz PODMULUIDKVBDB-SECBINFHSA-N -1 0 309.388 -0.002 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)NC[C@H]2CNC(=O)C2)cc1 ZINC000398340490 973122830 /nfs/dbraw/zinc/12/28/30/973122830.db2.gz DHHNEVUWDLZXPT-SNVBAGLBSA-N -1 0 312.347 -0.272 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)C=C2CCC2)c1[O-] ZINC001487978256 1014091151 /nfs/dbraw/zinc/09/11/51/1014091151.db2.gz OYHFNVORUYFRBP-JTQLQIEISA-N -1 0 308.338 -0.259 20 0 DBADRM CNC(=O)[C@@H]1CCN(S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000398595194 973157112 /nfs/dbraw/zinc/15/71/12/973157112.db2.gz UFOWDNYUIJKTJU-ZCFIWIBFSA-N -1 0 319.364 -0.402 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)[C@H](C)C[S@@](C)=O)c1C(=O)[O-] ZINC000398882636 973178437 /nfs/dbraw/zinc/17/84/37/973178437.db2.gz IOLLAPMQHRFRTN-ZLWQNGGKSA-N -1 0 323.396 -0.196 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](Nc2nccnc2C(=O)[O-])C1 ZINC000400166342 973255313 /nfs/dbraw/zinc/25/53/13/973255313.db2.gz KWUACGUWXNNYPZ-QMMMGPOBSA-N -1 0 300.340 -0.567 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001596247217 1017123890 /nfs/dbraw/zinc/12/38/90/1017123890.db2.gz DQOFRVPLGMKOLD-NXEZZACHSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CCCC(=O)[O-])C[C@H](C)S1(=O)=O ZINC000400907782 973329345 /nfs/dbraw/zinc/32/93/45/973329345.db2.gz XGPBQDUFGYIALQ-DTORHVGOSA-N -1 0 313.397 -0.312 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401801044 973396844 /nfs/dbraw/zinc/39/68/44/973396844.db2.gz UCLMOQYYSBCVAK-WOPDTQHZSA-N -1 0 315.370 -0.816 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC000401866104 973465467 /nfs/dbraw/zinc/46/54/67/973465467.db2.gz VFFCFDZSXQCSFC-WOPDTQHZSA-N -1 0 310.350 -0.319 20 0 DBADRM NC(=O)c1ccc(N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000401899395 973504488 /nfs/dbraw/zinc/50/44/88/973504488.db2.gz DNKPFGDULXCISE-RKDXNWHRSA-N -1 0 309.278 -0.035 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2ccc(-n3cncn3)nc2)C1 ZINC000401902586 973510987 /nfs/dbraw/zinc/51/09/87/973510987.db2.gz FYDIHRJTJZMUGS-MNOVXSKESA-N -1 0 317.305 -0.430 20 0 DBADRM COCCOCCCNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401904867 973513598 /nfs/dbraw/zinc/51/35/98/973513598.db2.gz QHIFVERSKIEHQC-GHMZBOCLSA-N -1 0 304.343 -0.484 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@](C)(O)C2CCC2)CCO1 ZINC001604541160 973514496 /nfs/dbraw/zinc/51/44/96/973514496.db2.gz KAERBKVGBFKXCQ-ZIAGYGMSSA-N -1 0 301.339 -0.134 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H](CC(C)C)C(N)=O)CCO1 ZINC001604541311 973518150 /nfs/dbraw/zinc/51/81/50/973518150.db2.gz MPWIDFCESZEVBZ-QMTHXVAHSA-N -1 0 316.354 -0.537 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(CC(=O)Nc2nncs2)C1 ZINC001604541348 973519662 /nfs/dbraw/zinc/51/96/62/973519662.db2.gz DFKRWFRCLRRPJK-NSHDSACASA-N -1 0 300.340 -0.100 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C(=O)c2cccn2C)CCO1 ZINC001604541471 973521271 /nfs/dbraw/zinc/52/12/71/973521271.db2.gz QJCHMUFBUNBARL-AWEZNQCLSA-N -1 0 310.306 -0.464 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(S(=O)(=O)c2cncc(F)c2)C1 ZINC000401971079 973577291 /nfs/dbraw/zinc/57/72/91/973577291.db2.gz MLMILOUARQMTPB-IONNQARKSA-N -1 0 304.299 -0.323 20 0 DBADRM CN([C@@H]1CCCOC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000402182240 973602111 /nfs/dbraw/zinc/60/21/11/973602111.db2.gz BEANYTFFFQQDOY-SECBINFHSA-N -1 0 303.340 -0.233 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)[O-] ZINC000402572753 973625639 /nfs/dbraw/zinc/62/56/39/973625639.db2.gz NUQDECXDJBQTDR-LBPRGKRZSA-N -1 0 308.294 -0.799 20 0 DBADRM Cn1nccc1[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000402600875 973629950 /nfs/dbraw/zinc/62/99/50/973629950.db2.gz NNCGOGHKZQZHJP-KWQFWETISA-N -1 0 315.351 -0.513 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N(CCC(=O)OC)CC(=O)[O-] ZINC001573865280 1026647262 /nfs/dbraw/zinc/64/72/62/1026647262.db2.gz VSORHFMXFQSKQX-MRVPVSSYSA-N -1 0 303.315 -0.700 20 0 DBADRM CN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC001573865642 1026648374 /nfs/dbraw/zinc/64/83/74/1026648374.db2.gz YXKSBMGBWKVZPY-UHFFFAOYSA-N -1 0 304.299 -0.353 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@@H](CO)C(F)(F)F)C1=O ZINC001574718785 1026803035 /nfs/dbraw/zinc/80/30/35/1026803035.db2.gz DLWOTCGNXCISLD-RQJHMYQMSA-N -1 0 312.244 -0.651 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCN2CCCS2(=O)=O)c[nH]1 ZINC000405846786 973908762 /nfs/dbraw/zinc/90/87/62/973908762.db2.gz VJMXAIBUPUVWDX-UHFFFAOYSA-N -1 0 301.324 -0.522 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCSC[C@H]1C(=O)[O-] ZINC000417472391 973954922 /nfs/dbraw/zinc/95/49/22/973954922.db2.gz IPSQYVJBQWMTTL-SFYZADRCSA-N -1 0 311.381 -0.373 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CCNC(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC001527486331 1014246894 /nfs/dbraw/zinc/24/68/94/1014246894.db2.gz CMLCPHXCSFWRSZ-VXNVDRBHSA-N -1 0 323.353 -0.673 20 0 DBADRM CCN(CCNC(=O)c1ncccn1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596335002 1017131250 /nfs/dbraw/zinc/13/12/50/1017131250.db2.gz FQDWGDQQQKIRAF-VHSXEESVSA-N -1 0 306.322 -0.224 20 0 DBADRM CCCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001488148287 1014271328 /nfs/dbraw/zinc/27/13/28/1014271328.db2.gz LJEHOQHUIJEVBC-YUMQZZPRSA-N -1 0 309.326 -0.198 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCN(C)CC1 ZINC001591720725 975654320 /nfs/dbraw/zinc/65/43/20/975654320.db2.gz RYDJYKJVTNDCRQ-LLVKDONJSA-N -1 0 323.415 -0.711 20 0 DBADRM COCCC(=O)NCCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001527855011 1014299953 /nfs/dbraw/zinc/29/99/53/1014299953.db2.gz CNGZVFMZTODMIU-UHFFFAOYSA-N -1 0 321.337 -0.753 20 0 DBADRM O=C(N[N-]S(=O)(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000007728570 977393330 /nfs/dbraw/zinc/39/33/30/977393330.db2.gz FAGKOMPAZWEKIG-ZETCQYMHSA-N -1 0 324.405 -0.508 20 0 DBADRM NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013269902 977395429 /nfs/dbraw/zinc/39/54/29/977395429.db2.gz FGLWRNNFMXEKQJ-VIFPVBQESA-N -1 0 314.319 -0.271 20 0 DBADRM O=C(CN1CSCC1=O)N[N-]C(=O)c1n[nH]c2c1CCCC2 ZINC000013229779 977395670 /nfs/dbraw/zinc/39/56/70/977395670.db2.gz IIZQHQPGOTZYCO-UHFFFAOYSA-N -1 0 323.378 -0.418 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2OCC[C@@H]2N1S(=O)(=O)[C@H]1CCCOC1 ZINC000926594977 977445598 /nfs/dbraw/zinc/44/55/98/977445598.db2.gz ANEFQBRPLBUHBK-NAKRPEOUSA-N -1 0 305.352 -0.188 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1[C@H](C(=O)[O-])C[C@@H]2OCC[C@@H]21 ZINC000926596428 977445856 /nfs/dbraw/zinc/44/58/56/977445856.db2.gz LUNLDPPNQYBQOS-DCAQKATOSA-N -1 0 304.368 -0.111 20 0 DBADRM C[C@H]1C[C@H](NC(=O)Cc2c[nH]cn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947758260 977450737 /nfs/dbraw/zinc/45/07/37/977450737.db2.gz KTYJQMFESWUAHY-VHSXEESVSA-N -1 0 319.369 -0.055 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001528454472 1014414944 /nfs/dbraw/zinc/41/49/44/1014414944.db2.gz OONQFHGOUKOAKX-BRPSZJMVSA-N -1 0 321.337 -0.483 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](CNC(=O)CC(N)=O)C2)c1[O-] ZINC001052379598 977719374 /nfs/dbraw/zinc/71/93/74/977719374.db2.gz ZDKDWASSEVMPNV-APPZFPTMSA-N -1 0 323.353 -0.877 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052616860 977774244 /nfs/dbraw/zinc/77/42/44/977774244.db2.gz FRQREIVLQREXSV-SECBINFHSA-N -1 0 320.357 -0.279 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnon1 ZINC001052808073 977818595 /nfs/dbraw/zinc/81/85/95/977818595.db2.gz ZQLMRHMRWNVPRK-MRVPVSSYSA-N -1 0 307.314 -0.322 20 0 DBADRM CC(C)C(=O)NC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001053075660 977848963 /nfs/dbraw/zinc/84/89/63/977848963.db2.gz UOABJTXLRDMPRJ-IUCAKERBSA-N -1 0 323.353 -0.237 20 0 DBADRM O=C(CC1CC1)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053123671 977856914 /nfs/dbraw/zinc/85/69/14/977856914.db2.gz XMPLSSMRUSKCDR-UHFFFAOYSA-N -1 0 307.354 -0.276 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053138677 977858988 /nfs/dbraw/zinc/85/89/88/977858988.db2.gz OPWNRYQMMZEEDL-NXEZZACHSA-N -1 0 307.354 -0.421 20 0 DBADRM CC[C@@H](C)C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053164793 977868252 /nfs/dbraw/zinc/86/82/52/977868252.db2.gz CFVMFHXAMJRVQN-SNVBAGLBSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2ncccn2)c1[O-] ZINC001528558911 1014439315 /nfs/dbraw/zinc/43/93/15/1014439315.db2.gz ZDKWHGAJQMFKNM-UHFFFAOYSA-N -1 0 304.310 -0.284 20 0 DBADRM CCN1CC2(C1)CN(C(=O)c1cnc([O-])n(C)c1=O)CCO2 ZINC001053369917 977938709 /nfs/dbraw/zinc/93/87/09/977938709.db2.gz NPPIYHNRVRGYBM-UHFFFAOYSA-N -1 0 308.338 -0.967 20 0 DBADRM O=C(NC[C@H]1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)O1)C1CC1 ZINC001053555899 977994713 /nfs/dbraw/zinc/99/47/13/977994713.db2.gz DYKHJFOUPFOCQL-SNVBAGLBSA-N -1 0 307.354 -0.230 20 0 DBADRM CC(=O)N[C@@H]1COC2(CN(Cc3cc(=O)n4[n-]ccc4n3)C2)C1 ZINC001053707037 978034076 /nfs/dbraw/zinc/03/40/76/978034076.db2.gz YOSVSGZOBUKXNM-LBPRGKRZSA-N -1 0 317.349 -0.498 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1ccco1 ZINC001053723381 978040330 /nfs/dbraw/zinc/04/03/30/978040330.db2.gz KDRZZSCLXPMTOZ-SECBINFHSA-N -1 0 319.321 -0.123 20 0 DBADRM O=C(N[C@H]1COC2(CN(CC3CC3)C2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001053858695 978118148 /nfs/dbraw/zinc/11/81/48/978118148.db2.gz OVGZJTFMKCYUQU-SECBINFHSA-N -1 0 321.337 -0.734 20 0 DBADRM CCN1C[C@@H](C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CC1=O ZINC001596394538 1017135876 /nfs/dbraw/zinc/13/58/76/1017135876.db2.gz KCDXYVMSNLEIIP-VHSXEESVSA-N -1 0 314.338 -0.423 20 0 DBADRM CCN(CCNC(=O)Cn1ccnc1)C(=O)c1n[nH]c(C)c1[O-] ZINC001528931032 1014492700 /nfs/dbraw/zinc/49/27/00/1014492700.db2.gz NHLXNKTVYLJPSQ-UHFFFAOYSA-N -1 0 320.353 -0.101 20 0 DBADRM Nc1ccc(N)c(S(=O)(=O)[N-]c2cnc(NCCO)nc2)c1 ZINC001210903932 978542993 /nfs/dbraw/zinc/54/29/93/978542993.db2.gz JIJMZHWJHGMZEA-UHFFFAOYSA-N -1 0 324.366 -0.154 20 0 DBADRM CN1C(=O)CN([N-]S(=O)(=O)c2cccc3c2OCC3)C1=O ZINC001211479498 978573747 /nfs/dbraw/zinc/57/37/47/978573747.db2.gz CAJOSTSHJCCGDW-UHFFFAOYSA-N -1 0 311.319 -0.291 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)Cc1cc(OC)ns1 ZINC001212384210 978652695 /nfs/dbraw/zinc/65/26/95/978652695.db2.gz NKBKUIILTUUFQF-UHFFFAOYSA-N -1 0 309.369 -0.361 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001212384694 978653911 /nfs/dbraw/zinc/65/39/11/978653911.db2.gz WVQITZISQZBDGX-WDEREUQCSA-N -1 0 306.384 -0.069 20 0 DBADRM O=S(=O)(NCc1ccnc(-n2cncn2)c1)c1ncc[n-]1 ZINC001213376045 978671889 /nfs/dbraw/zinc/67/18/89/978671889.db2.gz WTQKBVOXCZXREZ-UHFFFAOYSA-N -1 0 305.323 -0.136 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1=O ZINC001596401379 1017136331 /nfs/dbraw/zinc/13/63/31/1017136331.db2.gz CFKMJUZTULINKF-NXEZZACHSA-N -1 0 302.352 -0.300 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCc1nnc2ccccn21 ZINC001217919068 978819105 /nfs/dbraw/zinc/81/91/05/978819105.db2.gz KRKFCKLQJQWMME-UHFFFAOYSA-N -1 0 301.314 -0.478 20 0 DBADRM C/C(=C\C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC1 ZINC001219281529 978905153 /nfs/dbraw/zinc/90/51/53/978905153.db2.gz JKSDMEAOWPRBBL-KLIGILKNSA-N -1 0 307.354 -0.472 20 0 DBADRM C[C@@H](C[C@H](C)NC(=O)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001488728462 1014535312 /nfs/dbraw/zinc/53/53/12/1014535312.db2.gz GKZXLVWUIYERQL-BQBZGAKWSA-N -1 0 309.326 -0.294 20 0 DBADRM O=C(CCc1ccoc1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219454076 978946454 /nfs/dbraw/zinc/94/64/54/978946454.db2.gz ZGPJXOFLCCSBFU-MNOVXSKESA-N -1 0 321.337 -0.603 20 0 DBADRM CC[C@@H](SC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219474373 978946940 /nfs/dbraw/zinc/94/69/40/978946940.db2.gz NUQXMCAWAVXNMU-HRDYMLBCSA-N -1 0 315.399 -0.687 20 0 DBADRM CS[C@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219483984 978949606 /nfs/dbraw/zinc/94/96/06/978949606.db2.gz FZMSKHYRMDZQGU-HLTSFMKQSA-N -1 0 315.399 -0.687 20 0 DBADRM CC(F)(F)CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219898979 979041908 /nfs/dbraw/zinc/04/19/08/979041908.db2.gz RPXGGIQTVDDSNP-SFYZADRCSA-N -1 0 319.312 -0.393 20 0 DBADRM CCC1(C(=O)N[C@@H]2CN(Cc3nn(C)c(=O)[n-]3)C[C@@H]2O)CCC1 ZINC001220192225 979130649 /nfs/dbraw/zinc/13/06/49/979130649.db2.gz BHVZZWICIBVOSO-MNOVXSKESA-N -1 0 323.397 -0.650 20 0 DBADRM CCN1C[C@H](C)N(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C[C@@H]1C ZINC001596396425 1017136901 /nfs/dbraw/zinc/13/69/01/1017136901.db2.gz RXKNZUPNDJXVBX-SRVKXCTJSA-N -1 0 311.382 -0.139 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C(C)(F)F ZINC001220377749 979179534 /nfs/dbraw/zinc/17/95/34/979179534.db2.gz MOGJBAGEVOFHDS-PRJMDXOYSA-N -1 0 319.312 -0.537 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1(CF)CCC1 ZINC001220392253 979186511 /nfs/dbraw/zinc/18/65/11/979186511.db2.gz AWBGYHCOSRTPQX-BDAKNGLRSA-N -1 0 313.333 -0.689 20 0 DBADRM CC(=O)N(C)CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221296224 979398316 /nfs/dbraw/zinc/39/83/16/979398316.db2.gz CDWUEJKIQXPIHG-GHMZBOCLSA-N -1 0 322.369 -0.979 20 0 DBADRM NC(=O)CCCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001222114589 979493919 /nfs/dbraw/zinc/49/39/19/979493919.db2.gz POYZCIMKVICFKB-NXEZZACHSA-N -1 0 322.369 -0.801 20 0 DBADRM Cc1noc(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001222396437 979509794 /nfs/dbraw/zinc/50/97/94/979509794.db2.gz DUTSPAZUUVMZQD-JTQLQIEISA-N -1 0 321.355 -0.517 20 0 DBADRM CCN1C[C@@H](CNS(=O)(=O)C2(C(=O)[O-])CCC2)CC1=O ZINC001596397402 1017137451 /nfs/dbraw/zinc/13/74/51/1017137451.db2.gz GNNSNOHWOBFQGM-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM C[NH+]1CCC(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])CC1 ZINC001224454183 979571497 /nfs/dbraw/zinc/57/14/97/979571497.db2.gz OFYPPSXSARZAPL-ONGXEEELSA-N -1 0 303.311 -0.592 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OC[C@H]1CCOC1 ZINC001224479390 979572013 /nfs/dbraw/zinc/57/20/13/979572013.db2.gz HJVDULHBVJMJLH-RYUDHWBXSA-N -1 0 309.384 -0.372 20 0 DBADRM COC(=O)CN1C[C@H](Oc2nc(Cl)cc(=O)[n-]2)CC1=O ZINC001225564133 979599016 /nfs/dbraw/zinc/59/90/16/979599016.db2.gz YISRSDNMBPCCFT-ZCFIWIBFSA-N -1 0 301.686 -0.012 20 0 DBADRM COC(=O)c1ncc2n1CCC[C@H]2Oc1c([O-])c(=O)c(=O)c1=O ZINC001225832835 979608367 /nfs/dbraw/zinc/60/83/67/979608367.db2.gz RSIZDPDRRXFPDJ-SSDOTTSWSA-N -1 0 320.257 -0.755 20 0 DBADRM CC(C)OCCOCCOCCOc1c([O-])c(=O)c(=O)c1=O ZINC001225831530 979608611 /nfs/dbraw/zinc/60/86/11/979608611.db2.gz WXWKTOWZZOQBHG-UHFFFAOYSA-N -1 0 316.306 -0.815 20 0 DBADRM O=c1c([O-])c(O[C@@H]2CCN(c3ccnc(Cl)n3)C2)c(=O)c1=O ZINC001225831346 979608703 /nfs/dbraw/zinc/60/87/03/979608703.db2.gz SWRPNAAEGKQYGT-ZCFIWIBFSA-N -1 0 323.692 -0.551 20 0 DBADRM O=C(CCn1cccn1)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001226095890 979619762 /nfs/dbraw/zinc/61/97/62/979619762.db2.gz FKZARYKCROXFSL-UHFFFAOYSA-N -1 0 319.369 -0.122 20 0 DBADRM Cc1cnnc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001226719363 979646250 /nfs/dbraw/zinc/64/62/50/979646250.db2.gz YINUSUAZPSHXIT-NSHDSACASA-N -1 0 317.367 -0.248 20 0 DBADRM COc1nc(O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3OC(C)=O)cc(=O)[n-]1 ZINC001227002153 979650856 /nfs/dbraw/zinc/65/08/56/979650856.db2.gz MZJOVHKUPMIANH-JTRYMVSWSA-N -1 0 312.278 -0.333 20 0 DBADRM CC[C@H](CNC(=O)c1cn(C)nn1)Nc1ccnc(C(=O)[O-])n1 ZINC001595162924 979690985 /nfs/dbraw/zinc/69/09/85/979690985.db2.gz FBSOZIITQOBFKM-MRVPVSSYSA-N -1 0 319.325 -0.654 20 0 DBADRM CC[C@@H](CNC(=O)c1cnnn1C)Nc1ncc(C(=O)[O-])cn1 ZINC001595163721 979701670 /nfs/dbraw/zinc/70/16/70/979701670.db2.gz SWGSEMXSGIFXJE-VIFPVBQESA-N -1 0 319.325 -0.076 20 0 DBADRM CC[C@H](CNC(=O)c1nnc[n-]1)Nc1cc[nH+]c(C(=O)[O-])n1 ZINC001595163800 979702297 /nfs/dbraw/zinc/70/22/97/979702297.db2.gz XIGVSAUZBWGVKA-SSDOTTSWSA-N -1 0 305.298 -0.665 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC001326454194 979736248 /nfs/dbraw/zinc/73/62/48/979736248.db2.gz SZMSXRPIBOXZOH-ZWNOBZJWSA-N -1 0 301.343 -0.309 20 0 DBADRM O=C([O-])/C=C/CNS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001326460852 979737004 /nfs/dbraw/zinc/73/70/04/979737004.db2.gz BAYLFZODXDBVPD-CITMHJQUSA-N -1 0 311.381 -0.629 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cc1c(C)nc2nc(N)nn2c1C ZINC001326578159 979743575 /nfs/dbraw/zinc/74/35/75/979743575.db2.gz PJHHXSYZPBVSOB-UHFFFAOYSA-N -1 0 321.341 -0.950 20 0 DBADRM O=C([N-]OCCC(F)(F)F)C(=O)NCCN1CCCC1=O ZINC001326702923 979756322 /nfs/dbraw/zinc/75/63/22/979756322.db2.gz PJNLUSHGKZAQOE-UHFFFAOYSA-N -1 0 311.260 -0.275 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CCO)Cc1ccccc1 ZINC001326701029 979757118 /nfs/dbraw/zinc/75/71/18/979757118.db2.gz AQABZVBQTBBPNH-UHFFFAOYSA-N -1 0 323.349 -0.809 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC1CCC(O)(CC)CC1 ZINC001326711697 979759100 /nfs/dbraw/zinc/75/91/00/979759100.db2.gz KDGBTYMYQBASJH-UHFFFAOYSA-N -1 0 315.370 -0.630 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C ZINC001326748803 979762213 /nfs/dbraw/zinc/76/22/13/979762213.db2.gz CUEREXYIPPMDCU-ZJUUUORDSA-N -1 0 301.343 -0.804 20 0 DBADRM CCON(C)C(=O)CNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001326747112 979762249 /nfs/dbraw/zinc/76/22/49/979762249.db2.gz SPNNLHJTNJXWIN-UHFFFAOYSA-N -1 0 315.248 -0.487 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C ZINC001326748802 979762749 /nfs/dbraw/zinc/76/27/49/979762749.db2.gz CUEREXYIPPMDCU-VHSXEESVSA-N -1 0 301.343 -0.804 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC001326754562 979764428 /nfs/dbraw/zinc/76/44/28/979764428.db2.gz ZBWGNDMSZVTQKH-SECBINFHSA-N -1 0 311.338 -0.907 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC001326751710 979764578 /nfs/dbraw/zinc/76/45/78/979764578.db2.gz SZXMVWMDBMXAJU-NSHDSACASA-N -1 0 308.338 -0.138 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@H](CO)CC(C)C ZINC001326752385 979764882 /nfs/dbraw/zinc/76/48/82/979764882.db2.gz WJGVXFGBCXYRQU-JTQLQIEISA-N -1 0 303.359 -0.964 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCN(C)CC(F)(F)F)C(=O)[O-] ZINC001326844778 979773000 /nfs/dbraw/zinc/77/30/00/979773000.db2.gz GCAKZSUIVXLWGD-ZETCQYMHSA-N -1 0 313.276 -0.566 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCCc1ncn(C)n1 ZINC001326940973 979778555 /nfs/dbraw/zinc/77/85/55/979778555.db2.gz IJPWNWSYYMOBPT-UHFFFAOYSA-N -1 0 301.372 -0.725 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1csc(C)n1 ZINC001326948139 979781348 /nfs/dbraw/zinc/78/13/48/979781348.db2.gz JUBBANRWSWHNBD-UHFFFAOYSA-N -1 0 314.367 -0.706 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC001326969707 979784763 /nfs/dbraw/zinc/78/47/63/979784763.db2.gz BYGAWKCFIIYSPC-GFCCVEGCSA-N -1 0 321.381 -0.174 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC001327037922 979788782 /nfs/dbraw/zinc/78/87/82/979788782.db2.gz JXPNGIJXEDBPLE-SECBINFHSA-N -1 0 301.343 -0.804 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001330605729 979826918 /nfs/dbraw/zinc/82/69/18/979826918.db2.gz IAQADKDPYVTJCT-JTQLQIEISA-N -1 0 306.384 -0.115 20 0 DBADRM COC/C=C/C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001330610135 979827061 /nfs/dbraw/zinc/82/70/61/979827061.db2.gz BXOJOUGWYDYTGO-VMZHVLLKSA-N -1 0 315.351 -0.148 20 0 DBADRM CCC[C@@H](C(=O)NCCc1n[n-]c(=S)o1)S(N)(=O)=O ZINC001330788734 979834413 /nfs/dbraw/zinc/83/44/13/979834413.db2.gz WQXJAJMIHFPUQA-LURJTMIESA-N -1 0 308.385 -0.526 20 0 DBADRM CCC[C@H](C(=O)NCCc1n[n-]c(=S)o1)S(N)(=O)=O ZINC001330788735 979835087 /nfs/dbraw/zinc/83/50/87/979835087.db2.gz WQXJAJMIHFPUQA-ZCFIWIBFSA-N -1 0 308.385 -0.526 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H](C)c1ccccn1 ZINC001331057001 979852501 /nfs/dbraw/zinc/85/25/01/979852501.db2.gz ZKMCAGQTXOEVTG-JTQLQIEISA-N -1 0 308.338 -0.515 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1c(C2CC2)cnn1C ZINC001331056819 979853306 /nfs/dbraw/zinc/85/33/06/979853306.db2.gz YIUMFYXLQRDREL-UHFFFAOYSA-N -1 0 323.353 -0.902 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001331096533 979854122 /nfs/dbraw/zinc/85/41/22/979854122.db2.gz ZZENQHDSIODUJG-DDHJBXDOSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C(NCCOC[C@H]1CCCO1)c1c[n-]n2c1nccc2=O ZINC001331121898 979858289 /nfs/dbraw/zinc/85/82/89/979858289.db2.gz YPOIDGVXNRSUKL-SNVBAGLBSA-N -1 0 306.322 -0.052 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cccc(F)c1F ZINC001331458934 979879279 /nfs/dbraw/zinc/87/92/79/979879279.db2.gz ODIYNTREPPXMMN-UHFFFAOYSA-N -1 0 315.276 -0.235 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H](C)SC)C1 ZINC001331493881 979883409 /nfs/dbraw/zinc/88/34/09/979883409.db2.gz SULYSXPKKNRSSC-NOZJJQNGSA-N -1 0 318.395 -0.196 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)C1 ZINC001342803123 979908370 /nfs/dbraw/zinc/90/83/70/979908370.db2.gz VUJVOSRTCWOYIV-GHMZBOCLSA-N -1 0 313.354 -0.802 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC001343929640 979969701 /nfs/dbraw/zinc/96/97/01/979969701.db2.gz WDCSEKSXFXCRMD-JTQLQIEISA-N -1 0 307.306 -0.338 20 0 DBADRM COc1cc(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)ccn1 ZINC001344930172 980021347 /nfs/dbraw/zinc/02/13/47/980021347.db2.gz JMEOVRUOCVZMCE-NSHDSACASA-N -1 0 309.322 -0.209 20 0 DBADRM CCN1CC[C@@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)C1=O ZINC001596410398 1017138822 /nfs/dbraw/zinc/13/88/22/1017138822.db2.gz LTHSPPDTUAMTCS-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C2CC2)n(C)n1 ZINC001346208194 980119823 /nfs/dbraw/zinc/11/98/23/980119823.db2.gz NYNHUDAYNMWRKP-UHFFFAOYSA-N -1 0 309.326 -0.580 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(OC)cc1 ZINC001346333295 980130562 /nfs/dbraw/zinc/13/05/62/980130562.db2.gz RBHIKMJFJFEANU-UHFFFAOYSA-N -1 0 309.322 -0.505 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC(C)(C)CCCO ZINC001346371993 980135933 /nfs/dbraw/zinc/13/59/33/980135933.db2.gz CARTUTVFPSBUMX-UHFFFAOYSA-N -1 0 303.359 -0.915 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1c1cccn1C ZINC001346414460 980141200 /nfs/dbraw/zinc/14/12/00/980141200.db2.gz ICLLLMSUQBACAL-GFCCVEGCSA-N -1 0 322.365 -0.128 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001346415559 980141850 /nfs/dbraw/zinc/14/18/50/980141850.db2.gz PJAYJSYBMOLNEH-GFCCVEGCSA-N -1 0 320.349 -0.419 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)C(=O)NC[C@H]3CCCOC3)ccnc1-2 ZINC001346530735 980151006 /nfs/dbraw/zinc/15/10/06/980151006.db2.gz BLEUKPVJBAFTRV-SNVBAGLBSA-N -1 0 317.349 -0.177 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001346581276 980156249 /nfs/dbraw/zinc/15/62/49/980156249.db2.gz UNHUTRAXOBNVKL-LLVKDONJSA-N -1 0 323.353 -0.655 20 0 DBADRM O=C(CN1C(=O)CCC1=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001346918129 980177951 /nfs/dbraw/zinc/17/79/51/980177951.db2.gz VRGQKMUPKVWKPH-UHFFFAOYSA-N -1 0 316.277 -0.545 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC001347171295 980202048 /nfs/dbraw/zinc/20/20/48/980202048.db2.gz RLBOXHHZUKVJJV-LLVKDONJSA-N -1 0 307.368 -0.193 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)[N-]OC2CCOCC2)[C@H]1OC ZINC001347234943 980209684 /nfs/dbraw/zinc/20/96/84/980209684.db2.gz OGRXPFIJUOLINV-IJLUTSLNSA-N -1 0 316.354 -0.478 20 0 DBADRM CCCC(=O)N(CC)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001488936102 1014642291 /nfs/dbraw/zinc/64/22/91/1014642291.db2.gz YQDRSQOHTPVDRE-SECBINFHSA-N -1 0 313.358 -0.157 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCCNC(=O)C(F)F)cc1=O ZINC001348300704 980277932 /nfs/dbraw/zinc/27/79/32/980277932.db2.gz OFNXZICRQNOAFG-UHFFFAOYSA-N -1 0 318.324 -0.128 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001595279578 980321201 /nfs/dbraw/zinc/32/12/01/980321201.db2.gz SKFIIHAFIREUPD-VWYCJHECSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001595279592 980321216 /nfs/dbraw/zinc/32/12/16/980321216.db2.gz SOOPDIMZPHVGQM-GARJFASQSA-N -1 0 314.338 -0.234 20 0 DBADRM CCc1c[nH]c(CC(=O)NCCNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001348788627 980361804 /nfs/dbraw/zinc/36/18/04/980361804.db2.gz MHASFAKCTVQTNY-UHFFFAOYSA-N -1 0 320.353 -0.202 20 0 DBADRM CN1CCn2nc(NC(=O)C(=O)[N-]O[C@@H]3CCCCO3)cc2C1 ZINC001348910514 980384505 /nfs/dbraw/zinc/38/45/05/980384505.db2.gz IQLKGHBKIPWCRS-GFCCVEGCSA-N -1 0 323.353 -0.159 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001530338196 1014655539 /nfs/dbraw/zinc/65/55/39/1014655539.db2.gz JNRMPIIEIJYHDD-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCc1cn2c(cccc2C)n1 ZINC001349294363 980452421 /nfs/dbraw/zinc/45/24/21/980452421.db2.gz GLLCUSIIZKXOGB-UHFFFAOYSA-N -1 0 320.349 -0.004 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001349317383 980453778 /nfs/dbraw/zinc/45/37/78/980453778.db2.gz AMJRJSZYLYESSV-VHSXEESVSA-N -1 0 324.337 -0.163 20 0 DBADRM CCN1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1=O ZINC001596410891 1017139622 /nfs/dbraw/zinc/13/96/22/1017139622.db2.gz VVASLTJNWBVUEA-SECBINFHSA-N -1 0 315.351 -0.378 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCNC(=O)C1CCCC1 ZINC001349594861 980489094 /nfs/dbraw/zinc/48/90/94/980489094.db2.gz SLOSICZYMBHQAG-UHFFFAOYSA-N -1 0 311.342 -0.498 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ncc(C(N)=O)cc1Cl ZINC001349644879 980493589 /nfs/dbraw/zinc/49/35/89/980493589.db2.gz RRWIPECKGUSHLB-UHFFFAOYSA-N -1 0 300.702 -0.369 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cn(CCOC)c(C)cc1=O ZINC001349644563 980493974 /nfs/dbraw/zinc/49/39/74/980493974.db2.gz OLTUDZMGJWHEHA-UHFFFAOYSA-N -1 0 311.338 -0.399 20 0 DBADRM O=C([O-])c1cccc(N2C(=O)C[C@H](N3C[C@@H](O)[C@@H](O)C3)C2=O)c1 ZINC001349675549 980496220 /nfs/dbraw/zinc/49/62/20/980496220.db2.gz WYLYMOTZSWQUNX-SDDRHHMPSA-N -1 0 320.301 -0.946 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1OC ZINC001349711883 980499523 /nfs/dbraw/zinc/49/95/23/980499523.db2.gz OWSPQOJGXCJAQH-UWVGGRQHSA-N -1 0 301.343 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1C[C@@H](C)O[C@H]1C ZINC001349736209 980501910 /nfs/dbraw/zinc/50/19/10/980501910.db2.gz PGJODHZZXJBFMM-UTLUCORTSA-N -1 0 301.343 -0.900 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@@H]1CC[C@H](SC)C1 ZINC001349753019 980504872 /nfs/dbraw/zinc/50/48/72/980504872.db2.gz JOIYEXVQNHALDA-ZJUUUORDSA-N -1 0 317.411 -0.087 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](CC)OC[C@H]1C ZINC001349756602 980506375 /nfs/dbraw/zinc/50/63/75/980506375.db2.gz XBLIILOUGUWUCO-ZJUUUORDSA-N -1 0 301.343 -0.804 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@]2(CC2(F)F)C1 ZINC001349757003 980506470 /nfs/dbraw/zinc/50/64/70/980506470.db2.gz ZFOPGFKXIBXVJB-GFCCVEGCSA-N -1 0 319.308 -0.182 20 0 DBADRM CCN1C[C@H](C)N(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[C@@H]1C ZINC001349972798 980528530 /nfs/dbraw/zinc/52/85/30/980528530.db2.gz XHVJGZXPPWPCSR-BJDJZHNGSA-N -1 0 311.382 -0.093 20 0 DBADRM CC[C@H](OC(=O)C1CCN(S(=O)(=O)NC)CC1)C(=O)[O-] ZINC001595336934 980597370 /nfs/dbraw/zinc/59/73/70/980597370.db2.gz MEWAABXSXGHUAF-VIFPVBQESA-N -1 0 308.356 -0.431 20 0 DBADRM CC[C@@H](C)C(=O)NCc1nc(CNCC(=O)NC)cc(=O)[nH]1 ZINC001489071093 1014669659 /nfs/dbraw/zinc/66/96/59/1014669659.db2.gz RQANTGPWVGEXLT-SECBINFHSA-N -1 0 309.370 -0.320 20 0 DBADRM O=C(NCc1nc(CNCCF)cc(=O)[nH]1)[C@@H]1COCCO1 ZINC001489070835 1014670623 /nfs/dbraw/zinc/67/06/23/1014670623.db2.gz MDXQMMURPZSYQU-JTQLQIEISA-N -1 0 314.317 -0.727 20 0 DBADRM Cn1ncc(C2CC2)c1CNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001350911570 980611841 /nfs/dbraw/zinc/61/18/41/980611841.db2.gz KYHNXJCKCLABSP-JTQLQIEISA-N -1 0 322.365 -0.002 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)Nc1ncc(CCO)s1 ZINC001351013144 980619707 /nfs/dbraw/zinc/61/97/07/980619707.db2.gz RAVRKFNXGQJLLP-UHFFFAOYSA-N -1 0 310.335 -0.443 20 0 DBADRM CC(C)C(=O)NCc1nc(CNCC(=O)N(C)C)cc(=O)[nH]1 ZINC001489070934 1014672208 /nfs/dbraw/zinc/67/22/08/1014672208.db2.gz PCOJLSPFUYNVNM-UHFFFAOYSA-N -1 0 309.370 -0.368 20 0 DBADRM COC(=O)c1cnn(CC(=O)NCCc2n[n-]c(=S)o2)c1 ZINC001351522425 980661839 /nfs/dbraw/zinc/66/18/39/980661839.db2.gz IJDVHBSPHFLVJI-UHFFFAOYSA-N -1 0 311.323 -0.300 20 0 DBADRM C[C@@H](C(=O)NCCOCC(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC001351727881 980686177 /nfs/dbraw/zinc/68/61/77/980686177.db2.gz BKDDOQBWXVHAPB-VIFPVBQESA-N -1 0 323.367 -0.814 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001353165700 980785835 /nfs/dbraw/zinc/78/58/35/980785835.db2.gz LUUAQEWKYIVPJG-GJQXAKHRSA-N -1 0 323.353 -0.334 20 0 DBADRM C/C=C(\C)C(=O)N[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001353165702 980786321 /nfs/dbraw/zinc/78/63/21/980786321.db2.gz LUUAQEWKYIVPJG-SIUBYYJGSA-N -1 0 323.353 -0.334 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001353923081 980825882 /nfs/dbraw/zinc/82/58/82/980825882.db2.gz UFTLPRYFNQHTOF-NEPJUHHUSA-N -1 0 316.398 -0.115 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCCc1cccc(F)c1 ZINC001354457469 980853224 /nfs/dbraw/zinc/85/32/24/980853224.db2.gz XKNBPDTWBABLMQ-UHFFFAOYSA-N -1 0 311.313 -0.332 20 0 DBADRM CNC(=O)CC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001354832167 980873874 /nfs/dbraw/zinc/87/38/74/980873874.db2.gz DYDCHQDZTMBHCY-SECBINFHSA-N -1 0 323.353 -0.862 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC001354967238 980880736 /nfs/dbraw/zinc/88/07/36/980880736.db2.gz JYCLVENIUPURBX-LLVKDONJSA-N -1 0 309.297 -0.107 20 0 DBADRM CCN(CCc1cccs1)C(=O)C(=O)NCC(=O)[N-]OC ZINC001354960630 980880942 /nfs/dbraw/zinc/88/09/42/980880942.db2.gz CDXVVSBEGGYVDS-UHFFFAOYSA-N -1 0 313.379 -0.067 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC2(CCCC2)OC[C@H]1C ZINC001354966828 980880951 /nfs/dbraw/zinc/88/09/51/980880951.db2.gz ICEVAMMOVHNSRE-SNVBAGLBSA-N -1 0 313.354 -0.660 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2ccccc2[C@@H](C)C1 ZINC001354969377 980881111 /nfs/dbraw/zinc/88/11/11/980881111.db2.gz RCOMRGYLIDYKCJ-NSHDSACASA-N -1 0 319.361 -0.031 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCO[C@]2(CCSC2)C1 ZINC001355893259 980915850 /nfs/dbraw/zinc/91/58/50/980915850.db2.gz CGHHAUKRVVDDLA-LLVKDONJSA-N -1 0 314.371 -0.937 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCO[C@@](C)(C(F)(F)F)C1 ZINC001355895202 980915989 /nfs/dbraw/zinc/91/59/89/980915989.db2.gz HIKRWPXUYIRUOA-SECBINFHSA-N -1 0 324.263 -0.492 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCSC[C@@H](C)C1 ZINC001355929770 980916818 /nfs/dbraw/zinc/91/68/18/980916818.db2.gz QUJWIOOXEWDOJO-VIFPVBQESA-N -1 0 300.388 -0.070 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001355928734 980917135 /nfs/dbraw/zinc/91/71/35/980917135.db2.gz LUAFKQOCCGKHAP-LBPRGKRZSA-N -1 0 324.385 -0.006 20 0 DBADRM CCCCCC(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001356742950 980966832 /nfs/dbraw/zinc/96/68/32/980966832.db2.gz DVBZUALGGREMMN-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM CCN(C(=O)CC(N)=O)[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001356850841 981003206 /nfs/dbraw/zinc/00/32/06/981003206.db2.gz DLKFGDIGLDTOHU-VIFPVBQESA-N -1 0 323.353 -0.638 20 0 DBADRM CC[C@@H](CNC(=O)C1CC=CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001356875454 981004956 /nfs/dbraw/zinc/00/49/56/981004956.db2.gz QPZQWMBHYOBHRZ-VIFPVBQESA-N -1 0 321.337 -0.126 20 0 DBADRM COC[C@@H]1CCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001357185945 981039338 /nfs/dbraw/zinc/03/93/38/981039338.db2.gz ZIGNUMRRRDQYJR-NSHDSACASA-N -1 0 304.343 -0.075 20 0 DBADRM CC(C)CC(=O)NC/C=C/CNC(=O)c1cnc([O-])n(C)c1=O ZINC001357521471 981066532 /nfs/dbraw/zinc/06/65/32/981066532.db2.gz QEBORRMKHXWYHN-SNAWJCMRSA-N -1 0 322.365 -0.066 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001530483402 1014704108 /nfs/dbraw/zinc/70/41/08/1014704108.db2.gz ABKJNQZOZSBLMC-QMMMGPOBSA-N -1 0 323.353 -0.721 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2cn(C)cn2)c1[O-] ZINC001357726781 981086936 /nfs/dbraw/zinc/08/69/36/981086936.db2.gz GRSBIFWGKILMBR-ONEGZZNKSA-N -1 0 318.337 -0.127 20 0 DBADRM CC[C@H](F)C(=O)NC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001357990554 981105894 /nfs/dbraw/zinc/10/58/94/981105894.db2.gz XTWMRMZFQIIYTL-VEMNSZJBSA-N -1 0 315.305 -0.774 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C=C1CCC1 ZINC001358494006 981130173 /nfs/dbraw/zinc/13/01/73/981130173.db2.gz WPSINAZAXRSASY-ZETCQYMHSA-N -1 0 307.310 -0.372 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1CC12CCOCC2 ZINC001361459628 981235542 /nfs/dbraw/zinc/23/55/42/981235542.db2.gz OWNSQDBORNIEEZ-JTQLQIEISA-N -1 0 303.322 -0.244 20 0 DBADRM CO[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC001361458177 981236089 /nfs/dbraw/zinc/23/60/89/981236089.db2.gz VMKAJBTZBCWBBY-ONGXEEELSA-N -1 0 305.338 -0.045 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001489248838 1014716536 /nfs/dbraw/zinc/71/65/36/1014716536.db2.gz KYNMRCDMQMRRPU-SCZZXKLOSA-N -1 0 322.369 -0.885 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2CNC(=O)C2)cn1 ZINC001361512548 981247516 /nfs/dbraw/zinc/24/75/16/981247516.db2.gz GTDMZSNVFGZPJN-MRVPVSSYSA-N -1 0 312.351 -0.681 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1COc2ccccc2O1 ZINC001361622774 981276891 /nfs/dbraw/zinc/27/68/91/981276891.db2.gz PNBBNBUWXZZVHY-MRVPVSSYSA-N -1 0 306.278 -0.355 20 0 DBADRM NC(=O)NC[C@@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001361650690 981288619 /nfs/dbraw/zinc/28/86/19/981288619.db2.gz KKBUYSWGQFORCN-VIFPVBQESA-N -1 0 318.337 -0.457 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCc2nnn[n-]2)C1 ZINC001361759461 981314337 /nfs/dbraw/zinc/31/43/37/981314337.db2.gz FULODIATOLYVTM-UHFFFAOYSA-N -1 0 312.330 -0.812 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCO[C@@H](c3nnn[n-]3)C1)CC2 ZINC001361779646 981319964 /nfs/dbraw/zinc/31/99/64/981319964.db2.gz AVAVWIJGPSBDHG-LDYMZIIASA-N -1 0 318.341 -0.967 20 0 DBADRM COCC[C@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C(N)=O ZINC001361780216 981320778 /nfs/dbraw/zinc/32/07/78/981320778.db2.gz FJMBMIZXEVLDRJ-NSHDSACASA-N -1 0 312.370 -0.619 20 0 DBADRM O=C(c1ncc2n1CCCC2)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001361783838 981322183 /nfs/dbraw/zinc/32/21/83/981322183.db2.gz LYZQYONMLPBFIK-JTQLQIEISA-N -1 0 303.326 -0.054 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001361783798 981322334 /nfs/dbraw/zinc/32/23/34/981322334.db2.gz XDHPIOPWLAUPNH-UHFFFAOYSA-N -1 0 316.387 -0.984 20 0 DBADRM CN(C)S(=O)(=O)c1ccsc1C(=O)N(C)c1nnn[n-]1 ZINC001361799880 981327182 /nfs/dbraw/zinc/32/71/82/981327182.db2.gz FQHZXNYUWGXYJT-UHFFFAOYSA-N -1 0 316.368 -0.212 20 0 DBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N(C)c1nnn[n-]1 ZINC001361799793 981327932 /nfs/dbraw/zinc/32/79/32/981327932.db2.gz CHPJAOGWRJFJPC-SECBINFHSA-N -1 0 316.387 -0.243 20 0 DBADRM CN(C(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1)c1nnn[n-]1 ZINC001361805955 981330638 /nfs/dbraw/zinc/33/06/38/981330638.db2.gz SRZVFFAHWWCIIT-QMMMGPOBSA-N -1 0 304.314 -0.661 20 0 DBADRM CCCNC(=O)CN1CCC(NC(=O)c2c[n-]ncc2=O)CC1 ZINC001361826506 981335904 /nfs/dbraw/zinc/33/59/04/981335904.db2.gz HTSSPKVAGGBMPW-UHFFFAOYSA-N -1 0 321.381 -0.097 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001361844869 981339226 /nfs/dbraw/zinc/33/92/26/981339226.db2.gz OKLSIKROVKBYGD-MRVPVSSYSA-N -1 0 324.366 -0.762 20 0 DBADRM CCNC(=O)C(C)(C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001361854972 981341774 /nfs/dbraw/zinc/34/17/74/981341774.db2.gz UOUNKXIJIVYVPW-UHFFFAOYSA-N -1 0 306.326 -0.898 20 0 DBADRM NC(=O)[C@H]1c2ccccc2CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001361863914 981344765 /nfs/dbraw/zinc/34/47/65/981344765.db2.gz VFQRDQAMBVHCLQ-LLVKDONJSA-N -1 0 317.305 -0.699 20 0 DBADRM COC(=O)CCN(C[C@H]1CCCO1)C(=O)CCc1nnn[n-]1 ZINC001361872712 981345982 /nfs/dbraw/zinc/34/59/82/981345982.db2.gz UJVONFVMHJPHEA-SNVBAGLBSA-N -1 0 311.342 -0.297 20 0 DBADRM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001361881278 981348595 /nfs/dbraw/zinc/34/85/95/981348595.db2.gz UIYUEZMKBNYMIW-BDAKNGLRSA-N -1 0 313.358 -0.111 20 0 DBADRM CCCN(C(=O)CCc1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC001361888783 981350706 /nfs/dbraw/zinc/35/07/06/981350706.db2.gz PYDQYEUEUIAXDL-SECBINFHSA-N -1 0 301.372 -0.442 20 0 DBADRM CNC(=O)CCNC(=O)c1nc[n-]c(=O)c1Br ZINC001361892567 981351535 /nfs/dbraw/zinc/35/15/35/981351535.db2.gz GVUHHNCQIYUYBO-UHFFFAOYSA-N -1 0 303.116 -0.189 20 0 DBADRM Cn1c(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)c[nH]c1=O ZINC001361890766 981351571 /nfs/dbraw/zinc/35/15/71/981351571.db2.gz DEBKDZRUNJUFIW-UHFFFAOYSA-N -1 0 318.340 -0.399 20 0 DBADRM CCCNC(=O)CN1CCC(NC(=O)CCc2nnn[n-]2)CC1 ZINC001361916940 981359115 /nfs/dbraw/zinc/35/91/15/981359115.db2.gz BQUFTCMAUNAYGB-UHFFFAOYSA-N -1 0 323.401 -0.761 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC1CCS(=O)(=O)CC1 ZINC001361921369 981360999 /nfs/dbraw/zinc/36/09/99/981360999.db2.gz MOOPXDOIHOSYQO-UHFFFAOYSA-N -1 0 318.355 -0.837 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)N1CCCC[C@H]1C ZINC001361925365 981362896 /nfs/dbraw/zinc/36/28/96/981362896.db2.gz KMOHKTBZUXLJPT-RKDXNWHRSA-N -1 0 311.342 -0.405 20 0 DBADRM C[NH+](C)Cc1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cn1 ZINC001361931289 981363998 /nfs/dbraw/zinc/36/39/98/981363998.db2.gz ZSBKNGCEGCTAQP-GFCCVEGCSA-N -1 0 317.353 -0.130 20 0 DBADRM C[NH+](C)Cc1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cn1 ZINC001361931338 981364156 /nfs/dbraw/zinc/36/41/56/981364156.db2.gz ZSBKNGCEGCTAQP-LBPRGKRZSA-N -1 0 317.353 -0.130 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001361929646 981364395 /nfs/dbraw/zinc/36/43/95/981364395.db2.gz VXRIHUOBXIKFIT-SNVBAGLBSA-N -1 0 320.353 -0.991 20 0 DBADRM CC(=O)NC[C@H]1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001361945482 981368949 /nfs/dbraw/zinc/36/89/49/981368949.db2.gz WYMPINYZSOPOSH-SECBINFHSA-N -1 0 313.383 -0.023 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)CCCc2nnn[n-]2)C1 ZINC001361958633 981372861 /nfs/dbraw/zinc/37/28/61/981372861.db2.gz JJRCYGYDENTMNP-SECBINFHSA-N -1 0 316.387 -0.937 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)CSc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001361990999 981381571 /nfs/dbraw/zinc/38/15/71/981381571.db2.gz AWXCTDVFUJIJPA-QMMMGPOBSA-N -1 0 323.382 -0.269 20 0 DBADRM CNC(=O)c1cc(OC)ccc1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362021019 981388865 /nfs/dbraw/zinc/38/88/65/981388865.db2.gz CBJMCMULSPFBNU-UHFFFAOYSA-N -1 0 321.293 -0.304 20 0 DBADRM Cn1ccc(N2CCC[C@@H](NC(=O)c3c[n-]ncc3=O)C2=O)n1 ZINC001362018226 981389053 /nfs/dbraw/zinc/38/90/53/981389053.db2.gz LYFNBSKKZAGSKM-SNVBAGLBSA-N -1 0 316.321 -0.159 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC001362042338 981397097 /nfs/dbraw/zinc/39/70/97/981397097.db2.gz KDHBPNWZYDVZGV-VIFPVBQESA-N -1 0 305.294 -0.016 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCc3n[nH]cc3C2)c1 ZINC001362053405 981400325 /nfs/dbraw/zinc/40/03/25/981400325.db2.gz OMHMBXNNBOAFFL-UHFFFAOYSA-N -1 0 322.346 -0.039 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CCc2nnn[n-]2)CCO1 ZINC001362056837 981403165 /nfs/dbraw/zinc/40/31/65/981403165.db2.gz FTSLRTNAPIAYOT-VIFPVBQESA-N -1 0 311.342 -0.299 20 0 DBADRM O=C([C@@H]1CCn2cncc2C1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362059405 981404772 /nfs/dbraw/zinc/40/47/72/981404772.db2.gz GPJQMHSHMGHOCP-MWLCHTKSSA-N -1 0 303.326 -0.441 20 0 DBADRM CCC[C@@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)c1nnn[n-]1 ZINC001362068482 981407989 /nfs/dbraw/zinc/40/79/89/981407989.db2.gz DADCLPPRYBHDAS-BBBLOLIVSA-N -1 0 310.358 -0.030 20 0 DBADRM COC(=O)[C@]1(F)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001362075833 981410872 /nfs/dbraw/zinc/41/08/72/981410872.db2.gz ZAQVURXPXDIEAY-LBPRGKRZSA-N -1 0 316.289 -0.417 20 0 DBADRM COC(=O)[C@@]1(F)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001362075826 981411419 /nfs/dbraw/zinc/41/14/19/981411419.db2.gz ZAQVURXPXDIEAY-GFCCVEGCSA-N -1 0 316.289 -0.417 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362083681 981413785 /nfs/dbraw/zinc/41/37/85/981413785.db2.gz ATCJBYMSYHXKJU-GFCCVEGCSA-N -1 0 302.338 -0.082 20 0 DBADRM O=C(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NCc1ccccc1 ZINC001362087635 981415517 /nfs/dbraw/zinc/41/55/17/981415517.db2.gz CLHSJNPGAJUMKE-UHFFFAOYSA-N -1 0 317.305 -0.281 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@H](c3nnn[n-]3)C2)C1 ZINC001362091036 981415681 /nfs/dbraw/zinc/41/56/81/981415681.db2.gz QBAGHAROGVZURK-AEJSXWLSSA-N -1 0 309.326 -0.311 20 0 DBADRM C[S@](=O)C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1 ZINC001362093573 981416722 /nfs/dbraw/zinc/41/67/22/981416722.db2.gz AMCKDWLWZMKVAI-MGUXCZDKSA-N -1 0 324.362 -0.075 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)CCCc1nnn[n-]1)CC2 ZINC001362093313 981416825 /nfs/dbraw/zinc/41/68/25/981416825.db2.gz KFRIDSSTIBWXRP-SECBINFHSA-N -1 0 320.357 -0.609 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2c[n-]ncc2=O)C1 ZINC001362098665 981419531 /nfs/dbraw/zinc/41/95/31/981419531.db2.gz XDTJZRDJKWTGCX-QMMMGPOBSA-N -1 0 300.340 -0.664 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1=O ZINC001596403152 1017140458 /nfs/dbraw/zinc/14/04/58/1017140458.db2.gz VNAXQOREVWBOIB-COMAGPEQSA-N -1 0 316.379 -0.220 20 0 DBADRM NC(=O)C1CCC(NC(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001362113667 981425885 /nfs/dbraw/zinc/42/58/85/981425885.db2.gz WBFYLBANIKNHAD-UHFFFAOYSA-N -1 0 303.322 -0.204 20 0 DBADRM COc1ccccc1[C@@H](O)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362128114 981429860 /nfs/dbraw/zinc/42/98/60/981429860.db2.gz YADLTPLDPPSESR-NWDGAFQWSA-N -1 0 319.321 -0.158 20 0 DBADRM CNc1nc(C)cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)n1 ZINC001362127201 981430486 /nfs/dbraw/zinc/43/04/86/981430486.db2.gz VWJXOAXYQMQIGB-SECBINFHSA-N -1 0 304.314 -0.446 20 0 DBADRM COc1ccccc1[C@@H](O)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362128124 981431398 /nfs/dbraw/zinc/43/13/98/981431398.db2.gz YADLTPLDPPSESR-VXGBXAGGSA-N -1 0 319.321 -0.158 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CCN(C(N)=O)C2)cc1=O ZINC001362132872 981434014 /nfs/dbraw/zinc/43/40/14/981434014.db2.gz DXAJPHFXCKMKQN-SNVBAGLBSA-N -1 0 309.370 -0.356 20 0 DBADRM COCCN(CCC(=O)OC)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362132478 981434553 /nfs/dbraw/zinc/43/45/53/981434553.db2.gz ORGRUIHZLCMMIF-UHFFFAOYSA-N -1 0 318.355 -0.360 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001362137684 981435335 /nfs/dbraw/zinc/43/53/35/981435335.db2.gz JLKKKYZHXZBPDE-ZCFIWIBFSA-N -1 0 306.248 -0.588 20 0 DBADRM COCC[C@@](C)(O)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001362138073 981435498 /nfs/dbraw/zinc/43/54/98/981435498.db2.gz BORAEWYZWOXKPN-GFCCVEGCSA-N -1 0 301.299 -0.586 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](CO)Cc1ccccc1 ZINC001362141822 981437751 /nfs/dbraw/zinc/43/77/51/981437751.db2.gz RULVEAHPDGZNQK-NSHDSACASA-N -1 0 306.322 -0.343 20 0 DBADRM CN(CC(=O)NCc1cccs1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362144387 981437827 /nfs/dbraw/zinc/43/78/27/981437827.db2.gz DRPVBKHUPPRUNK-UHFFFAOYSA-N -1 0 323.334 -0.267 20 0 DBADRM O=C(CNC(=O)c1ncccc1O)N1CCSC[C@H]1CO ZINC001362179970 981449712 /nfs/dbraw/zinc/44/97/12/981449712.db2.gz WQHWHKRQUWDWIN-SECBINFHSA-N -1 0 311.363 -0.547 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)CC1=O ZINC001362189600 981454632 /nfs/dbraw/zinc/45/46/32/981454632.db2.gz QFVATNRODUYBKY-WCABBAIRSA-N -1 0 315.333 -0.238 20 0 DBADRM COCCc1noc(CN(C)C(=O)CCCc2nnn[n-]2)n1 ZINC001362194546 981456089 /nfs/dbraw/zinc/45/60/89/981456089.db2.gz XCOUDBGBCLPHDK-UHFFFAOYSA-N -1 0 309.330 -0.247 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC2(CNC(=O)C2)CC1 ZINC001362193760 981456140 /nfs/dbraw/zinc/45/61/40/981456140.db2.gz PZTUTCTVRSLRDG-UHFFFAOYSA-N -1 0 323.353 -0.402 20 0 DBADRM COC[C@H](CCO)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362198269 981458380 /nfs/dbraw/zinc/45/83/80/981458380.db2.gz LHBHYDIGHMDJFP-JTQLQIEISA-N -1 0 306.326 -0.798 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@H](C(=O)NCc2n[nH]c(=O)[n-]2)C1 ZINC001362216818 981465681 /nfs/dbraw/zinc/46/56/81/981465681.db2.gz YWCYUZCBORRQHY-VIFPVBQESA-N -1 0 305.298 -0.638 20 0 DBADRM COC(=O)[C@@](C)(NC(=O)CCCn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001362222934 981468855 /nfs/dbraw/zinc/46/88/55/981468855.db2.gz FWMSNFLBDKVMNQ-ZDUSSCGKSA-N -1 0 312.326 -0.073 20 0 DBADRM O=C(CNC(=O)c1ncc(Br)cc1[O-])NCCO ZINC001362226717 981470982 /nfs/dbraw/zinc/47/09/82/981470982.db2.gz KUACJKXAMQQITQ-UHFFFAOYSA-N -1 0 318.127 -0.612 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)NCc2nnn[n-]2)c(Cl)cn1 ZINC001362238050 981477164 /nfs/dbraw/zinc/47/71/64/981477164.db2.gz QKTKZUDZGNQUIX-UHFFFAOYSA-N -1 0 316.730 -0.418 20 0 DBADRM O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362246922 981480543 /nfs/dbraw/zinc/48/05/43/981480543.db2.gz ROOLKRZKIKZDKO-RKDXNWHRSA-N -1 0 313.339 -0.952 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN2C(=O)OCC[C@H]2C1 ZINC001362250050 981481388 /nfs/dbraw/zinc/48/13/88/981481388.db2.gz VEISXBXPZDHBSS-ZETCQYMHSA-N -1 0 313.339 -0.345 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCSC[C@H]1CCO ZINC001362259217 981486955 /nfs/dbraw/zinc/48/69/55/981486955.db2.gz CFPKGSMDGYWPEC-SECBINFHSA-N -1 0 308.363 -0.037 20 0 DBADRM O=C(NC[C@]1(O)CCOC1)c1nc[n-]c(=O)c1Br ZINC001362264657 981488447 /nfs/dbraw/zinc/48/84/47/981488447.db2.gz XPCQUGAOTWYHGK-SNVBAGLBSA-N -1 0 318.127 -0.174 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)NCc3nc(=O)o[n-]3)CCC2=O)cn1 ZINC001362265458 981489921 /nfs/dbraw/zinc/48/99/21/981489921.db2.gz CREHYBWUQUTCHN-QMMMGPOBSA-N -1 0 320.309 -0.844 20 0 DBADRM COC(=O)C[C@@H]1CSCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362269481 981491401 /nfs/dbraw/zinc/49/14/01/981491401.db2.gz YBFLUODAQSQGRN-ZCFIWIBFSA-N -1 0 314.323 -0.597 20 0 DBADRM CC(=O)c1cn(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)nn1 ZINC001362269572 981491815 /nfs/dbraw/zinc/49/18/15/981491815.db2.gz NHUHFBMVRKQOCR-SECBINFHSA-N -1 0 304.314 -0.600 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC(CO)C3)cc2=O)n1 ZINC001362281444 981496689 /nfs/dbraw/zinc/49/66/89/981496689.db2.gz FCIUGMKNPPDIKZ-UHFFFAOYSA-N -1 0 303.322 -0.363 20 0 DBADRM COC(=O)[C@@]1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCSC1 ZINC001362293547 981501114 /nfs/dbraw/zinc/50/11/14/981501114.db2.gz SCLHUFBUKMITMY-SNVBAGLBSA-N -1 0 300.296 -0.939 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cn(C(F)(F)CO)nn1)c1nnn[n-]1 ZINC001362297341 981502069 /nfs/dbraw/zinc/50/20/69/981502069.db2.gz DRDYADHUBWMCPY-LURJTMIESA-N -1 0 316.272 -0.792 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)nn1 ZINC001362298108 981502375 /nfs/dbraw/zinc/50/23/75/981502375.db2.gz HCTWXXIGRKIYEF-RKDXNWHRSA-N -1 0 308.346 -0.562 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)nn1 ZINC001362298104 981503013 /nfs/dbraw/zinc/50/30/13/981503013.db2.gz HCTWXXIGRKIYEF-IUCAKERBSA-N -1 0 308.346 -0.562 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)nn1 ZINC001362306980 981507247 /nfs/dbraw/zinc/50/72/47/981507247.db2.gz AOLPLLQKMRKQOB-VHSXEESVSA-N -1 0 320.357 -0.418 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1COCCN1CC(F)F)c1nnn[n-]1 ZINC001362323866 981513497 /nfs/dbraw/zinc/51/34/97/981513497.db2.gz JUXFRVGSCDZKNY-RKDXNWHRSA-N -1 0 318.328 -0.273 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@]12CCCO2 ZINC001362321903 981513663 /nfs/dbraw/zinc/51/36/63/981513663.db2.gz HDRCUZWKJSTBCQ-IGJMFERPSA-N -1 0 312.326 -0.468 20 0 DBADRM C[C@@H](CN(C)C(=O)C[C@@H]1CCCS1(=O)=O)c1nnn[n-]1 ZINC001362327491 981515081 /nfs/dbraw/zinc/51/50/81/981515081.db2.gz RCDASTPJOWTELA-IUCAKERBSA-N -1 0 301.372 -0.271 20 0 DBADRM CNC(=O)C1CN(C(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001362330730 981516693 /nfs/dbraw/zinc/51/66/93/981516693.db2.gz WGWPVWSPCBZZKX-UHFFFAOYSA-N -1 0 315.127 -0.237 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cn([C@@H]2CC[C@H]2O)nn1)c1nnn[n-]1 ZINC001362330439 981516731 /nfs/dbraw/zinc/51/67/31/981516731.db2.gz YDEWNMZHQKYEQG-FXBDTBDDSA-N -1 0 306.330 -0.637 20 0 DBADRM NS(=O)(=O)c1n[nH]cc1C(=O)[N-]N1Cc2ccccc2C1=O ZINC001362339182 981520637 /nfs/dbraw/zinc/52/06/37/981520637.db2.gz WNEDLBXZDNGLOY-UHFFFAOYSA-N -1 0 321.318 -0.642 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)Nc2nn[nH]n2)C1 ZINC001362341869 981522916 /nfs/dbraw/zinc/52/29/16/981522916.db2.gz WHXLFUIEJCMKJR-GFCCVEGCSA-N -1 0 312.330 -0.100 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C[C@@H]1CCCC[C@H]1O ZINC001362350383 981525346 /nfs/dbraw/zinc/52/53/46/981525346.db2.gz RXSJEYJQEXQCMR-VHSXEESVSA-N -1 0 306.384 -0.490 20 0 DBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001362354438 981528545 /nfs/dbraw/zinc/52/85/45/981528545.db2.gz JNJHCLPUMMJBRR-MWLCHTKSSA-N -1 0 320.305 -0.839 20 0 DBADRM C[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC[S@](=O)C1 ZINC001362356802 981529184 /nfs/dbraw/zinc/52/91/84/981529184.db2.gz NAFHCFJGDWABCR-AUADJRAKSA-N -1 0 323.378 -0.702 20 0 DBADRM C[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC[S@@](=O)C1 ZINC001362356824 981529371 /nfs/dbraw/zinc/52/93/71/981529371.db2.gz NAFHCFJGDWABCR-GTUYJWLHSA-N -1 0 323.378 -0.702 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)CCc2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC001362372347 981536403 /nfs/dbraw/zinc/53/64/03/981536403.db2.gz FIEAHHTYSVYXMG-PSASIEDQSA-N -1 0 318.341 -0.824 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362376335 981537537 /nfs/dbraw/zinc/53/75/37/981537537.db2.gz TVMWLFRAGUQKDY-VIFPVBQESA-N -1 0 315.337 -0.622 20 0 DBADRM O=C(NC[C@H](CO)[C@@H]1CCOC1)c1ccc(-c2nn[nH]n2)cn1 ZINC001362382273 981540658 /nfs/dbraw/zinc/54/06/58/981540658.db2.gz BDTZMOAKUDESHP-GHMZBOCLSA-N -1 0 318.337 -0.364 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001362385150 981541830 /nfs/dbraw/zinc/54/18/30/981541830.db2.gz MEFXCFTWLKTSJA-MRVPVSSYSA-N -1 0 322.325 -0.842 20 0 DBADRM Nc1nnc(CC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)s1 ZINC001362387017 981542280 /nfs/dbraw/zinc/54/22/80/981542280.db2.gz SUOMUXLIEITABZ-LURJTMIESA-N -1 0 309.355 -0.107 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362384022 981542417 /nfs/dbraw/zinc/54/24/17/981542417.db2.gz BRCCITOGXKXTSQ-LLVKDONJSA-N -1 0 322.369 -0.589 20 0 DBADRM O=C(c1c[nH]c(C2CC2)n1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362390970 981543862 /nfs/dbraw/zinc/54/38/62/981543862.db2.gz UKQDUDJFUOTWSD-UHFFFAOYSA-N -1 0 303.326 -0.076 20 0 DBADRM O=C(c1cnn(CC2CC2)c1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362393601 981545494 /nfs/dbraw/zinc/54/54/94/981545494.db2.gz YTUCKRQWPXOSGL-UHFFFAOYSA-N -1 0 317.353 -0.070 20 0 DBADRM CCC[C@@H](NC(=O)[C@@H]1CCC2N=NC(=O)N2C1)c1nnn[n-]1 ZINC001362391781 981545589 /nfs/dbraw/zinc/54/55/89/981545589.db2.gz HSJSLJVGTXCEGH-HTQZYQBOSA-N -1 0 306.330 -0.283 20 0 DBADRM CCC[C@@H](NC(=O)[C@H]1CCC2N=NC(=O)N2C1)c1nnn[n-]1 ZINC001362391786 981545779 /nfs/dbraw/zinc/54/57/79/981545779.db2.gz HSJSLJVGTXCEGH-JGVFFNPUSA-N -1 0 306.330 -0.283 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(c2ccc(F)cn2)CC1 ZINC001362396228 981546237 /nfs/dbraw/zinc/54/62/37/981546237.db2.gz OLGBDPKNTWKJSK-UHFFFAOYSA-N -1 0 322.300 -0.428 20 0 DBADRM C[C@H]1[C@@H](CO)CCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362399392 981547791 /nfs/dbraw/zinc/54/77/91/981547791.db2.gz HDRKLOJQJVDMDS-GXSJLCMTSA-N -1 0 302.338 -0.082 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cc([C@@H]2CCCOC2)[nH]n1 ZINC001362401396 981550474 /nfs/dbraw/zinc/55/04/74/981550474.db2.gz BPTMPJSNPINZKQ-SSDOTTSWSA-N -1 0 308.298 -0.055 20 0 DBADRM NC(=O)[C@@H](O)CNC(=O)c1ncc(Br)cc1[O-] ZINC001362411873 981556647 /nfs/dbraw/zinc/55/66/47/981556647.db2.gz KMYMVPWVKSUUJV-LURJTMIESA-N -1 0 304.100 -0.874 20 0 DBADRM CCC(CC)(NC(=O)CN(C)S(C)(=O)=O)c1nnn[n-]1 ZINC001362426555 981563537 /nfs/dbraw/zinc/56/35/37/981563537.db2.gz QZHKNKDILGTQQF-UHFFFAOYSA-N -1 0 304.376 -0.777 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H](CO)[C@@H]2CCOC2)cc1=O ZINC001362427750 981564058 /nfs/dbraw/zinc/56/40/58/981564058.db2.gz WIYBLBWVDMXKPU-YPMHNXCESA-N -1 0 311.382 -0.112 20 0 DBADRM O=C(c1cn(C2CCC2)nn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362436906 981569032 /nfs/dbraw/zinc/56/90/32/981569032.db2.gz MNZOJBHATQTMBR-UHFFFAOYSA-N -1 0 318.341 -0.360 20 0 DBADRM C[C@@H](CC(=O)N1CCC(O)(c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001362435574 981569357 /nfs/dbraw/zinc/56/93/57/981569357.db2.gz KTWRIRGEQLRPFJ-JTQLQIEISA-N -1 0 319.369 -0.063 20 0 DBADRM O=C(C1CS(=O)(=O)C1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001362439977 981571414 /nfs/dbraw/zinc/57/14/14/981571414.db2.gz ZXJWETHLRFXGQI-ZETCQYMHSA-N -1 0 300.340 -0.739 20 0 DBADRM Cc1nc([C@@H]2COCCN2C(=O)CCCc2nnn[n-]2)no1 ZINC001362467644 981584374 /nfs/dbraw/zinc/58/43/74/981584374.db2.gz YJSAVVSLIZPRSH-VIFPVBQESA-N -1 0 307.314 -0.186 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1c[n-]ncc1=O ZINC001362469908 981585715 /nfs/dbraw/zinc/58/57/15/981585715.db2.gz VWCFSGFPDFKQLF-WPRPVWTQSA-N -1 0 314.367 -0.370 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)NCCSCC(=O)[O-])CC1=O ZINC001596402723 1017140517 /nfs/dbraw/zinc/14/05/17/1017140517.db2.gz RGORUNQNZMHYCN-QMMMGPOBSA-N -1 0 310.397 -0.656 20 0 DBADRM COC(=O)[C@H](COC(C)C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362475735 981590451 /nfs/dbraw/zinc/59/04/51/981590451.db2.gz SSPGFSYHUSANQW-ZETCQYMHSA-N -1 0 314.298 -0.679 20 0 DBADRM COC(=O)[C@@H](COC(C)C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362475726 981590542 /nfs/dbraw/zinc/59/05/42/981590542.db2.gz SSPGFSYHUSANQW-SSDOTTSWSA-N -1 0 314.298 -0.679 20 0 DBADRM CC[C@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@H]1O ZINC001362478865 981591820 /nfs/dbraw/zinc/59/18/20/981591820.db2.gz BTFBLRSVNYUJOO-JOYOIKCWSA-N -1 0 302.338 -0.082 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@](O)(C(F)F)C1 ZINC001362492134 981598630 /nfs/dbraw/zinc/59/86/30/981598630.db2.gz TWOYPPNGDYQYJJ-GFCCVEGCSA-N -1 0 313.264 -0.700 20 0 DBADRM CCOC(=O)[C@H](F)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001362494977 981600388 /nfs/dbraw/zinc/60/03/88/981600388.db2.gz UODKCVGCBOVTOZ-ZCFIWIBFSA-N -1 0 300.246 -0.744 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CCC[C@H]1CO ZINC001362501759 981603323 /nfs/dbraw/zinc/60/33/23/981603323.db2.gz ABNOUWSHBQTFAA-NSHDSACASA-N -1 0 304.306 -0.137 20 0 DBADRM O=C(NC[C@]1(O)CCc2ccccc21)c1n[nH]c(=O)[n-]c1=O ZINC001362519656 981617769 /nfs/dbraw/zinc/61/77/69/981617769.db2.gz ZGXRVVBJJBSOBX-CQSZACIVSA-N -1 0 302.290 -0.153 20 0 DBADRM Cc1nccc(N2CCN(C(=O)CCCc3nnn[n-]3)CC2)n1 ZINC001362524560 981626821 /nfs/dbraw/zinc/62/68/21/981626821.db2.gz IHYPPPCGPDRPGC-UHFFFAOYSA-N -1 0 316.369 -0.030 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC001362528446 981628853 /nfs/dbraw/zinc/62/88/53/981628853.db2.gz ISXBVMUZCPLUIK-SECBINFHSA-N -1 0 317.305 -0.069 20 0 DBADRM Cn1c(CNC(=O)c2n[nH]c(=O)[n-]c2=O)nnc1C1CCC1 ZINC001362543407 981653673 /nfs/dbraw/zinc/65/36/73/981653673.db2.gz UAQNDBPEVSKZAC-UHFFFAOYSA-N -1 0 305.298 -0.391 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001362557718 981670936 /nfs/dbraw/zinc/67/09/36/981670936.db2.gz NENUHKAPKGRQRN-AOOOYVTPSA-N -1 0 316.321 -0.244 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362555134 981673731 /nfs/dbraw/zinc/67/37/31/981673731.db2.gz KWNMUQNCEALRGI-BQBZGAKWSA-N -1 0 312.282 -0.925 20 0 DBADRM O=C(c1ncc2n1CCCC2)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362562322 981679875 /nfs/dbraw/zinc/67/98/75/981679875.db2.gz PSDHYRRVZRJGDE-UHFFFAOYSA-N -1 0 317.353 -0.144 20 0 DBADRM Cc1cc(OCC(=O)N2CCC(O)(c3nnn[n-]3)CC2)no1 ZINC001362565057 981689029 /nfs/dbraw/zinc/68/90/29/981689029.db2.gz YXQYVPVAXJRCQT-UHFFFAOYSA-N -1 0 308.298 -0.615 20 0 DBADRM CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362566034 981694042 /nfs/dbraw/zinc/69/40/42/981694042.db2.gz AVQIKOTXYUOGKU-VIFPVBQESA-N -1 0 317.305 -0.630 20 0 DBADRM CO[C@@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H]1O ZINC001362569521 981702408 /nfs/dbraw/zinc/70/24/08/981702408.db2.gz GWCWEZGZPICPQS-RKDXNWHRSA-N -1 0 306.278 -0.732 20 0 DBADRM O=C(C[C@H]1CCNC1=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001362584448 981724744 /nfs/dbraw/zinc/72/47/44/981724744.db2.gz XICFUBIHDIWZLX-MRVPVSSYSA-N -1 0 302.294 -0.167 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NCCF)c(CCO)c2=O)n1 ZINC001362598952 981739376 /nfs/dbraw/zinc/73/93/76/981739376.db2.gz NHLYXUAWMSVGPA-UHFFFAOYSA-N -1 0 323.328 -0.193 20 0 DBADRM CN(C)C(=O)O[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001362596531 981740035 /nfs/dbraw/zinc/74/00/35/981740035.db2.gz PIAKHGNSKGJQLL-ZETCQYMHSA-N -1 0 311.298 -0.414 20 0 DBADRM CC(C)(CO)N1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001362600260 981744424 /nfs/dbraw/zinc/74/44/24/981744424.db2.gz JCXCMFQNXJFWEK-UHFFFAOYSA-N -1 0 315.399 -0.483 20 0 DBADRM O=C(N[C@@]1(CO)CCOC1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362631674 981776683 /nfs/dbraw/zinc/77/66/83/981776683.db2.gz YMHUZBHCWXKMDI-CQSZACIVSA-N -1 0 320.305 -0.853 20 0 DBADRM C[C@H](O)C[C@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001362630457 981778010 /nfs/dbraw/zinc/77/80/10/981778010.db2.gz RIIBVODSWAUVIG-ONGXEEELSA-N -1 0 318.337 -0.126 20 0 DBADRM CC1(C)COC(=O)[C@@H]1NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362642457 981787640 /nfs/dbraw/zinc/78/76/40/981787640.db2.gz FOMSNCRIPYIIGP-JTQLQIEISA-N -1 0 316.321 -0.244 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCC1(CO)CCOCC1 ZINC001362645495 981791604 /nfs/dbraw/zinc/79/16/04/981791604.db2.gz SGKSYEIHQGNXOK-UHFFFAOYSA-N -1 0 302.356 -0.492 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1Cc2cccnc2C1 ZINC001362648863 981797676 /nfs/dbraw/zinc/79/76/76/981797676.db2.gz WHZCULRZJYRVKJ-JTQLQIEISA-N -1 0 311.363 -0.622 20 0 DBADRM CC(=O)N[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C(C)(C)C ZINC001362649714 981798271 /nfs/dbraw/zinc/79/82/71/981798271.db2.gz YDJANBUSNKEUGQ-SNVBAGLBSA-N -1 0 321.399 -0.881 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCC1(O)CCOCC1 ZINC001362658407 981803791 /nfs/dbraw/zinc/80/37/91/981803791.db2.gz UOKYVHZULSDHQL-UHFFFAOYSA-N -1 0 321.337 -0.881 20 0 DBADRM CN(C(=O)c1c[n-]n2c1nccc2=O)[C@@H]1CCC(=O)N(C)C1 ZINC001362660687 981805510 /nfs/dbraw/zinc/80/55/10/981805510.db2.gz ZSLWACHDXQCNMG-SECBINFHSA-N -1 0 303.322 -0.285 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001362677134 981813411 /nfs/dbraw/zinc/81/34/11/981813411.db2.gz JOYTVPQMWWIXQY-UHFFFAOYSA-N -1 0 323.334 -0.259 20 0 DBADRM C[C@@H](c1ccccc1)[C@H](CO)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362680767 981814883 /nfs/dbraw/zinc/81/48/83/981814883.db2.gz OBNLTMVRRLHLFV-ONGXEEELSA-N -1 0 306.322 -0.030 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCC[C@H]1c1nc[nH]n1 ZINC001362689185 981820076 /nfs/dbraw/zinc/82/00/76/981820076.db2.gz PCORGKYQVOKSHA-VIFPVBQESA-N -1 0 314.309 -0.447 20 0 DBADRM CSCC[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1nnn[n-]1 ZINC001362691876 981821663 /nfs/dbraw/zinc/82/16/63/981821663.db2.gz ZPTNMPYFUCEZKQ-ZETCQYMHSA-N -1 0 311.371 -0.282 20 0 DBADRM Cn1nccc1[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC001362691814 981822439 /nfs/dbraw/zinc/82/24/39/981822439.db2.gz FTMOJEYIEIGXSB-VXNVDRBHSA-N -1 0 320.309 -0.334 20 0 DBADRM CN(C)[C@H](C(=O)N1CCC[C@H](c2nnn[n-]2)C1)c1cncn1C ZINC001362690661 981822452 /nfs/dbraw/zinc/82/24/52/981822452.db2.gz VINKXKZTKSKVNH-JQWIXIFHSA-N -1 0 318.385 -0.058 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1COc2cc(F)ccc2C1 ZINC001362691897 981822690 /nfs/dbraw/zinc/82/26/90/981822690.db2.gz UHFJRHOBDNDXMU-VIFPVBQESA-N -1 0 308.269 -0.052 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1c[n-]ncc1=O ZINC001362697100 981827003 /nfs/dbraw/zinc/82/70/03/981827003.db2.gz QMCHMLBWZIIEIL-MRVPVSSYSA-N -1 0 312.326 -0.202 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H]1OC ZINC001362702822 981830334 /nfs/dbraw/zinc/83/03/34/981830334.db2.gz IWVDCIBFVFOZCL-IQJOONFLSA-N -1 0 314.342 -0.222 20 0 DBADRM COC(=O)c1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)c(F)c1 ZINC001362705593 981834399 /nfs/dbraw/zinc/83/43/99/981834399.db2.gz KRGTZIUVIODAJC-UHFFFAOYSA-N -1 0 324.268 -0.069 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)N[C@H]3CN(C)NC3=O)cc2=O)cc1 ZINC001362713212 981839570 /nfs/dbraw/zinc/83/95/70/981839570.db2.gz JVGHHKPDDNWSGC-LBPRGKRZSA-N -1 0 315.333 -0.451 20 0 DBADRM CNS(=O)(=O)c1ccc(C)c(C(=O)N(C)c2nnn[n-]2)c1 ZINC001362718899 981844440 /nfs/dbraw/zinc/84/44/40/981844440.db2.gz JGGWQNFRZWHHLI-UHFFFAOYSA-N -1 0 310.339 -0.307 20 0 DBADRM COc1c(C)[nH]cc(CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)c1=O ZINC001362721230 981846467 /nfs/dbraw/zinc/84/64/67/981846467.db2.gz KGYVADQSXWHUAH-UHFFFAOYSA-N -1 0 323.309 -0.647 20 0 DBADRM C[C@@H](Oc1ccccn1)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362722071 981847629 /nfs/dbraw/zinc/84/76/29/981847629.db2.gz FAPGEPZQVFIJKU-SNVBAGLBSA-N -1 0 318.337 -0.128 20 0 DBADRM Cc1cc(CCC(=O)N2CCC(O)(c3nnn[n-]3)CC2)[nH]n1 ZINC001362728727 981853260 /nfs/dbraw/zinc/85/32/60/981853260.db2.gz GMEKVXPJGSYVLS-UHFFFAOYSA-N -1 0 305.342 -0.326 20 0 DBADRM Cn1nnc(C(=O)NCCc2nc(=O)o[n-]2)c1C(F)(F)F ZINC001362746616 981863199 /nfs/dbraw/zinc/86/31/99/981863199.db2.gz CDAORXDPYGSNCR-UHFFFAOYSA-N -1 0 306.204 -0.517 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2c[n-]ncc2=O)C1 ZINC001362750115 981864869 /nfs/dbraw/zinc/86/48/69/981864869.db2.gz KXYNMIBPRRCGSR-QMMMGPOBSA-N -1 0 300.340 -0.664 20 0 DBADRM COc1cncc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1 ZINC001362755896 981867945 /nfs/dbraw/zinc/86/79/45/981867945.db2.gz GEMVSYXJUDNVAL-UHFFFAOYSA-N -1 0 314.305 -0.209 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCc1nnc(C2CCOCC2)[nH]1 ZINC001362756298 981868301 /nfs/dbraw/zinc/86/83/01/981868301.db2.gz DHELFNLADMDSHN-UHFFFAOYSA-N -1 0 320.357 -0.149 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c[nH]1 ZINC001362758812 981870074 /nfs/dbraw/zinc/87/00/74/981870074.db2.gz ISLQHBJIKUTGOH-SECBINFHSA-N -1 0 306.282 -0.472 20 0 DBADRM COCCn1ccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)n1 ZINC001362761825 981871339 /nfs/dbraw/zinc/87/13/39/981871339.db2.gz PQLIGYQJDSGFJI-SNVBAGLBSA-N -1 0 307.314 -0.744 20 0 DBADRM O=C([C@@H]1CCc2c[nH]nc2C1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001362760467 981871965 /nfs/dbraw/zinc/87/19/65/981871965.db2.gz MIOYJWCSSJKGOS-LDYMZIIASA-N -1 0 303.326 -0.372 20 0 DBADRM O=C([C@H]1CCc2c[nH]nc2C1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001362760464 981872361 /nfs/dbraw/zinc/87/23/61/981872361.db2.gz MIOYJWCSSJKGOS-GZMMTYOYSA-N -1 0 303.326 -0.372 20 0 DBADRM CO[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@@H]1OC ZINC001362765365 981874211 /nfs/dbraw/zinc/87/42/11/981874211.db2.gz GVZDDBXOYTUTCP-DTORHVGOSA-N -1 0 300.315 -0.658 20 0 DBADRM CON1CCC(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1 ZINC001362772110 981878368 /nfs/dbraw/zinc/87/83/68/981878368.db2.gz QWEFLMLAJMBGNY-UHFFFAOYSA-N -1 0 317.353 -0.170 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cccc2c1NC(=O)CO2 ZINC001362775671 981880255 /nfs/dbraw/zinc/88/02/55/981880255.db2.gz QVROGAQJAWBYOW-UHFFFAOYSA-N -1 0 304.262 -0.334 20 0 DBADRM CCC(CC)(NC(=O)C1=C2CCCN=C2NN1)c1nnn[n-]1 ZINC001362785079 981884574 /nfs/dbraw/zinc/88/45/74/981884574.db2.gz KKHFNAJWJVDUQC-UHFFFAOYSA-N -1 0 304.358 -0.115 20 0 DBADRM O=C(C1=CS(=O)(=O)CCC1)N1CCC(c2nnn[n-]2)CC1 ZINC001362796839 981892450 /nfs/dbraw/zinc/89/24/50/981892450.db2.gz VTAJAHBTKXEEOS-UHFFFAOYSA-N -1 0 311.367 -0.002 20 0 DBADRM Cc1ccc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)c(=O)n1C ZINC001362795537 981893833 /nfs/dbraw/zinc/89/38/33/981893833.db2.gz XEGBFZOPGMWHRB-UHFFFAOYSA-N -1 0 321.337 -0.207 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC1CN(c2ccncn2)C1 ZINC001362797983 981895426 /nfs/dbraw/zinc/89/54/26/981895426.db2.gz CBROHTXUHJQWFL-UHFFFAOYSA-N -1 0 319.325 -0.736 20 0 DBADRM Cn1nnc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)c1C(F)(F)F ZINC001362808231 981902748 /nfs/dbraw/zinc/90/27/48/981902748.db2.gz UCOUZOAWLTYTAA-YFKPBYRVSA-N -1 0 316.247 -0.023 20 0 DBADRM Cn1nnc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)c1C(F)(F)F ZINC001362808230 981903456 /nfs/dbraw/zinc/90/34/56/981903456.db2.gz UCOUZOAWLTYTAA-RXMQYKEDSA-N -1 0 316.247 -0.023 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CC[C@@H](c3nnn[n-]3)C2)cc1 ZINC001362822324 981917316 /nfs/dbraw/zinc/91/73/16/981917316.db2.gz MPBOOKDCYOANRY-LLVKDONJSA-N -1 0 300.322 -0.143 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CC[C@H](c3nnn[n-]3)C1)CC2 ZINC001362821505 981917864 /nfs/dbraw/zinc/91/78/64/981917864.db2.gz KVYOZAHTDSKFSC-BDAKNGLRSA-N -1 0 302.342 -0.551 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)[C@@H]1CCc2nncn2CC1 ZINC001362831856 981923612 /nfs/dbraw/zinc/92/36/12/981923612.db2.gz AMNKDPRNEYTLOL-SECBINFHSA-N -1 0 302.342 -0.061 20 0 DBADRM NC(=O)[C@@H](O)CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001362834274 981923987 /nfs/dbraw/zinc/92/39/87/981923987.db2.gz ACLXDLSERDFRHA-VIFPVBQESA-N -1 0 308.269 -0.707 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)c1[O-] ZINC001362831507 981924772 /nfs/dbraw/zinc/92/47/72/981924772.db2.gz LPEZNSFIYLMYDM-BDAKNGLRSA-N -1 0 315.351 -0.548 20 0 DBADRM COC(=O)c1cc(C(=O)NC2(c3nnn[n-]3)CCC2)n(C)n1 ZINC001362834137 981925593 /nfs/dbraw/zinc/92/55/93/981925593.db2.gz IUHYEGHSWOUSQF-UHFFFAOYSA-N -1 0 305.298 -0.471 20 0 DBADRM O=C(Cn1nnc2c1CCCC2)NC1(c2nnn[n-]2)CCC1 ZINC001362835553 981927433 /nfs/dbraw/zinc/92/74/33/981927433.db2.gz MJCSUJURLLWKEE-UHFFFAOYSA-N -1 0 302.342 -0.134 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)[C@@H]1CCc2nnnn2CC1 ZINC001362836524 981927666 /nfs/dbraw/zinc/92/76/66/981927666.db2.gz QKGRLYLXBRUUFN-MRVPVSSYSA-N -1 0 303.330 -0.666 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC001362839827 981931943 /nfs/dbraw/zinc/93/19/43/981931943.db2.gz JOLPTKUEBWTFMA-HLTSFMKQSA-N -1 0 312.288 -0.499 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC001362839842 981933273 /nfs/dbraw/zinc/93/32/73/981933273.db2.gz JOLPTKUEBWTFMA-YIZRAAEISA-N -1 0 312.288 -0.499 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC(Cc3nn[nH]n3)CC2)[nH]1 ZINC001362849334 981943025 /nfs/dbraw/zinc/94/30/25/981943025.db2.gz RUWRJIBAUAZPKD-UHFFFAOYSA-N -1 0 303.326 -0.278 20 0 DBADRM CCC(CC)(NC(=O)[C@H](C)N1CCN(C)CC1)c1nnn[n-]1 ZINC001362856227 981950030 /nfs/dbraw/zinc/95/00/30/981950030.db2.gz MAYBLXSWILHLKX-NSHDSACASA-N -1 0 309.418 -0.033 20 0 DBADRM O=C(N[C@H](CCO)C1CCOCC1)c1c[n-]n2c1nccc2=O ZINC001362862078 981955453 /nfs/dbraw/zinc/95/54/53/981955453.db2.gz ZUIYYPCFPYFEEP-GFCCVEGCSA-N -1 0 320.349 -0.070 20 0 DBADRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1nnn(C)n1 ZINC001362865026 981956873 /nfs/dbraw/zinc/95/68/73/981956873.db2.gz NUFYZPXUDPUMSG-BQBZGAKWSA-N -1 0 320.275 -0.118 20 0 DBADRM O=C(NCCn1cnnc1)c1nc[n-]c(=O)c1Br ZINC001362867864 981958231 /nfs/dbraw/zinc/95/82/31/981958231.db2.gz IFHKFBGMENCJFI-UHFFFAOYSA-N -1 0 313.115 -0.034 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCN1CCc2ccccc21 ZINC001362867371 981959196 /nfs/dbraw/zinc/95/91/96/981959196.db2.gz QVRMHBAWCOAULV-UHFFFAOYSA-N -1 0 303.322 -0.132 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cccc2c1CCNC2=O ZINC001362870799 981960374 /nfs/dbraw/zinc/96/03/74/981960374.db2.gz YFHQGLCSAIXSKX-UHFFFAOYSA-N -1 0 303.278 -0.386 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc2c[nH]ccc-2n1 ZINC001362896488 981978337 /nfs/dbraw/zinc/97/83/37/981978337.db2.gz BIEQIAJVCOVOJW-UHFFFAOYSA-N -1 0 310.335 -0.241 20 0 DBADRM CCCN1C[C@@H](CNC(=O)CSc2n[nH]c(=O)[n-]2)CC1=O ZINC001362899419 981980226 /nfs/dbraw/zinc/98/02/26/981980226.db2.gz AQVMHIZPCGVYSG-MRVPVSSYSA-N -1 0 313.383 -0.023 20 0 DBADRM COC[C@H](NC(=O)[C@@H](O)c1ccccc1OC)c1nnn[n-]1 ZINC001362901044 981983947 /nfs/dbraw/zinc/98/39/47/981983947.db2.gz PIZSZKRTKQGBAH-ONGXEEELSA-N -1 0 307.310 -0.254 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)nn1 ZINC001362901610 981984102 /nfs/dbraw/zinc/98/41/02/981984102.db2.gz CGWWUSFGMLKMGY-NXEZZACHSA-N -1 0 320.357 -0.674 20 0 DBADRM COC[C@@H](NC(=O)c1csc(NC(C)=O)n1)c1nnn[n-]1 ZINC001362906790 981987978 /nfs/dbraw/zinc/98/79/78/981987978.db2.gz FWPJCFDRDYIBJM-ZCFIWIBFSA-N -1 0 311.327 -0.268 20 0 DBADRM COC(=O)CC1(CNC(=O)CCc2nnn[n-]2)CCOCC1 ZINC001362905559 981989705 /nfs/dbraw/zinc/98/97/05/981989705.db2.gz IJOIUNKYUZOCPA-UHFFFAOYSA-N -1 0 311.342 -0.392 20 0 DBADRM O=C(NCCc1nnc2n1CCNC2=O)c1cccc(F)c1[O-] ZINC001362907936 981991159 /nfs/dbraw/zinc/99/11/59/981991159.db2.gz FUVMZHAMRGZBSK-UHFFFAOYSA-N -1 0 319.296 -0.161 20 0 DBADRM COC[C@@H](NC(=O)Cc1ccc(O)c(OC)c1)c1nnn[n-]1 ZINC001362910041 981994362 /nfs/dbraw/zinc/99/43/62/981994362.db2.gz PTOCNTWBWOWFGF-SECBINFHSA-N -1 0 307.310 -0.040 20 0 DBADRM COC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)c1nnn[n-]1 ZINC001362911608 981996586 /nfs/dbraw/zinc/99/65/86/981996586.db2.gz UYEMPNDRBSVBBF-GXSJLCMTSA-N -1 0 318.337 -0.178 20 0 DBADRM COc1cc2c(cc1O)CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001362916707 981998297 /nfs/dbraw/zinc/99/82/97/981998297.db2.gz AOWDIXDLDCICIL-UHFFFAOYSA-N -1 0 320.305 -0.012 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H](CO)CCc1ccccc1 ZINC001362931827 982010889 /nfs/dbraw/zinc/01/08/89/982010889.db2.gz RQZQHDMWRSYFMQ-NSHDSACASA-N -1 0 306.322 -0.201 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc(N2CCOCC2)nc1 ZINC001362948627 982021371 /nfs/dbraw/zinc/02/13/71/982021371.db2.gz OXQJUJPKNKHABK-UHFFFAOYSA-N -1 0 319.321 -0.133 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1CCCN1c1ncccn1 ZINC001362947930 982021404 /nfs/dbraw/zinc/02/14/04/982021404.db2.gz IYRDBDVCUJGZKK-VIFPVBQESA-N -1 0 304.310 -0.220 20 0 DBADRM COC(=O)[C@@H]1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@H]2C[C@H]21 ZINC001362954780 982025323 /nfs/dbraw/zinc/02/53/23/982025323.db2.gz HXVBDXXSUCQAGH-LOKLDPHHSA-N -1 0 316.317 -0.050 20 0 DBADRM COC(=O)[C@@H]1C[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H]2C[C@H]21 ZINC001362959415 982029503 /nfs/dbraw/zinc/02/95/03/982029503.db2.gz UEJXWMLVHARXRB-RGOKHQFPSA-N -1 0 324.337 -0.217 20 0 DBADRM CC(=O)NCC[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001362979739 982043820 /nfs/dbraw/zinc/04/38/20/982043820.db2.gz NRIXDHXFBNIMTR-SECBINFHSA-N -1 0 309.326 -0.339 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2c[n-]ncc2=O)C1 ZINC001363016775 982073120 /nfs/dbraw/zinc/07/31/20/982073120.db2.gz DMFIWXDXZNRPJS-UHFFFAOYSA-N -1 0 324.337 -0.106 20 0 DBADRM Cn1cc(C(=O)CNC(=O)CCCn2c(=O)[n-][nH]c2=O)cn1 ZINC001363023024 982079101 /nfs/dbraw/zinc/07/91/01/982079101.db2.gz HQTNYWDWHIKISI-UHFFFAOYSA-N -1 0 308.298 -0.798 20 0 DBADRM O=C(CCc1ccncn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363028661 982084747 /nfs/dbraw/zinc/08/47/47/982084747.db2.gz NXDJPBPPYBQGLA-UHFFFAOYSA-N -1 0 303.326 -0.568 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001363028287 982084832 /nfs/dbraw/zinc/08/48/32/982084832.db2.gz LQKRDHUVDOKKDO-GMSGAONNSA-N -1 0 301.310 -0.484 20 0 DBADRM CC1=C(C(=O)N[C@@H](C)c2nn(C)cc2[O-])S(=O)(=O)CCO1 ZINC001363038376 982090126 /nfs/dbraw/zinc/09/01/26/982090126.db2.gz HDGHUTLPQREISX-ZETCQYMHSA-N -1 0 315.351 -0.021 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nn1ccc(=O)[nH]c1=O ZINC001363053582 982104605 /nfs/dbraw/zinc/10/46/05/982104605.db2.gz KXFKIZAEJAULIA-ZETCQYMHSA-N -1 0 322.243 -0.278 20 0 DBADRM C[C@H]1CN(C(=O)CCc2nnn[n-]2)CCN1c1cnccn1 ZINC001363073968 982118045 /nfs/dbraw/zinc/11/80/45/982118045.db2.gz ACMYCEMJLUXMMZ-JTQLQIEISA-N -1 0 302.342 -0.340 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363077840 982119790 /nfs/dbraw/zinc/11/97/90/982119790.db2.gz QFBQYLYMLLCBMD-KRNBLGIKSA-N -1 0 316.383 -0.163 20 0 DBADRM COC(=O)[C@@]1(OC)CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001363086795 982125650 /nfs/dbraw/zinc/12/56/50/982125650.db2.gz FWVJGBGJEANLLL-CQSZACIVSA-N -1 0 320.305 -0.573 20 0 DBADRM COC[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)[C@H]1CCCO1 ZINC001363087624 982125728 /nfs/dbraw/zinc/12/57/28/982125728.db2.gz AVTPPGNKKPMELN-NXEZZACHSA-N -1 0 314.342 -0.220 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(C(=O)[N-]N2CCOC2=O)c1 ZINC001363085261 982126006 /nfs/dbraw/zinc/12/60/06/982126006.db2.gz MGACDSNMFICWRZ-UHFFFAOYSA-N -1 0 303.271 -0.430 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC001363089546 982127168 /nfs/dbraw/zinc/12/71/68/982127168.db2.gz DKRLCKMZNCKCAP-VIFPVBQESA-N -1 0 317.305 -0.213 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CC(c2ccccn2)=NO1 ZINC001363090538 982128575 /nfs/dbraw/zinc/12/85/75/982128575.db2.gz LIIVCPGFHJSHFF-SNVBAGLBSA-N -1 0 303.278 -0.390 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)c1nnn[n-]1 ZINC001363097547 982135753 /nfs/dbraw/zinc/13/57/53/982135753.db2.gz BKVUVINJRQJXNV-BQBZGAKWSA-N -1 0 302.360 -0.145 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CC[C@H](CN2CCCC2=O)C1 ZINC001363098917 982136736 /nfs/dbraw/zinc/13/67/36/982136736.db2.gz DSDFYRZHRQIUFY-LLVKDONJSA-N -1 0 306.370 -0.007 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@H](CO)c2nncn2C)cc1=O ZINC001363114691 982146877 /nfs/dbraw/zinc/14/68/77/982146877.db2.gz VXIYSPQNTUPNGM-LLVKDONJSA-N -1 0 322.369 -0.647 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)c2cc(F)c[nH]c2=O)n[n-]1 ZINC001363114782 982147320 /nfs/dbraw/zinc/14/73/20/982147320.db2.gz ZIUDPZJBUGAJSM-UHFFFAOYSA-N -1 0 301.259 -0.300 20 0 DBADRM CCCN1C[C@H](C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CC1=O ZINC001363114699 982147570 /nfs/dbraw/zinc/14/75/70/982147570.db2.gz YUYUJZVTDMVLQZ-SSDOTTSWSA-N -1 0 315.355 -0.595 20 0 DBADRM O=C([C@@H]1CCCc2n[nH]cc21)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363117779 982148651 /nfs/dbraw/zinc/14/86/51/982148651.db2.gz YNNSTXNJYBVQRS-LDYMZIIASA-N -1 0 303.326 -0.057 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363115759 982149665 /nfs/dbraw/zinc/14/96/65/982149665.db2.gz FENDPEKAGWVTDC-AXFHLTTASA-N -1 0 311.342 -0.316 20 0 DBADRM CC(=O)N1CCC(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)CC1 ZINC001363117241 982149967 /nfs/dbraw/zinc/14/99/67/982149967.db2.gz UBJQIHLORHNPAR-LLVKDONJSA-N -1 0 308.342 -0.642 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363115762 982150105 /nfs/dbraw/zinc/15/01/05/982150105.db2.gz FENDPEKAGWVTDC-DCAQKATOSA-N -1 0 311.342 -0.316 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363117228 982150338 /nfs/dbraw/zinc/15/03/38/982150338.db2.gz SZHIECKHLGXEAI-ONGXEEELSA-N -1 0 305.342 -0.288 20 0 DBADRM Cn1cc(C(C)(C)NC(=O)CCCn2c(=O)[n-][nH]c2=O)nn1 ZINC001363117511 982150451 /nfs/dbraw/zinc/15/04/51/982150451.db2.gz DOYVJYYXNUELKV-UHFFFAOYSA-N -1 0 309.330 -0.351 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1nc(CO)n[nH]1 ZINC001363128048 982156740 /nfs/dbraw/zinc/15/67/40/982156740.db2.gz KJCXTWLAIXNQDN-QMMMGPOBSA-N -1 0 323.275 -0.384 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC001363138727 982165730 /nfs/dbraw/zinc/16/57/30/982165730.db2.gz OPHSYLZCHGVDRQ-SMPFOWEGSA-N -1 0 300.340 -0.799 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC001363140779 982167781 /nfs/dbraw/zinc/16/77/81/982167781.db2.gz LIAGGPHNIRGUHS-UHFFFAOYSA-N -1 0 320.305 -0.614 20 0 DBADRM CN(C(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O)c1nnn[n-]1 ZINC001363149084 982181255 /nfs/dbraw/zinc/18/12/55/982181255.db2.gz HJNJNUKIXJQDPI-AWEZNQCLSA-N -1 0 316.321 -0.431 20 0 DBADRM C[C@H](C(=O)NCc1nc([O-])cc(=O)[nH]1)[C@H](C)S(C)(=O)=O ZINC001363150098 982181363 /nfs/dbraw/zinc/18/13/63/982181363.db2.gz LXTKSCAZPQXADC-BQBZGAKWSA-N -1 0 303.340 -0.427 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001363150311 982181485 /nfs/dbraw/zinc/18/14/85/982181485.db2.gz NYOSCGMZOXMNNL-ZETCQYMHSA-N -1 0 306.278 -0.085 20 0 DBADRM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C2 ZINC001363176142 982198742 /nfs/dbraw/zinc/19/87/42/982198742.db2.gz UMOBQDJTNUHTKG-ITMYJUKJSA-N -1 0 324.337 -0.073 20 0 DBADRM Cn1[n-]c(C(=O)N2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)cc1=O ZINC001363188275 982208545 /nfs/dbraw/zinc/20/85/45/982208545.db2.gz HAHBOOSJRFSDAA-SSDOTTSWSA-N -1 0 305.294 -0.043 20 0 DBADRM COC(=O)c1cnn(CC(=O)N2CCC(c3nnn[n-]3)CC2)c1 ZINC001363197899 982216336 /nfs/dbraw/zinc/21/63/36/982216336.db2.gz VWINDHRKWBVUDC-UHFFFAOYSA-N -1 0 319.325 -0.411 20 0 DBADRM Cc1ccn(C[C@@H](C)C(=O)N2CCOC[C@@H]2c2nnn[n-]2)n1 ZINC001363202613 982218750 /nfs/dbraw/zinc/21/87/50/982218750.db2.gz DKCHHIDZOLQGIL-MWLCHTKSSA-N -1 0 305.342 -0.059 20 0 DBADRM Cc1ccn(C[C@@H](C)C(=O)N2CCOC[C@H]2c2nnn[n-]2)n1 ZINC001363202599 982219113 /nfs/dbraw/zinc/21/91/13/982219113.db2.gz DKCHHIDZOLQGIL-KOLCDFICSA-N -1 0 305.342 -0.059 20 0 DBADRM CCN1C[C@H](CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1=O ZINC001363213782 982229955 /nfs/dbraw/zinc/22/99/55/982229955.db2.gz WJOBGFWXTVQIHL-VIFPVBQESA-N -1 0 311.342 -0.546 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363216085 982230798 /nfs/dbraw/zinc/23/07/98/982230798.db2.gz HLTADSYMEPTWIH-MRVPVSSYSA-N -1 0 301.372 -0.271 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363216899 982233021 /nfs/dbraw/zinc/23/30/21/982233021.db2.gz JBADYURTOMRRPL-RKDXNWHRSA-N -1 0 304.310 -0.073 20 0 DBADRM CC(C)C[C@@H](C(N)=O)N(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001363227136 982240322 /nfs/dbraw/zinc/24/03/22/982240322.db2.gz VBJJIPOEWWYEPZ-ZETCQYMHSA-N -1 0 301.372 -0.039 20 0 DBADRM CN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H]1CO ZINC001363227942 982240651 /nfs/dbraw/zinc/24/06/51/982240651.db2.gz CLHQXROXURYUKX-SECBINFHSA-N -1 0 319.321 -0.816 20 0 DBADRM CN1c2ccccc2C[C@@H](NC(=O)CCc2nnn[n-]2)C1=O ZINC001363231765 982245791 /nfs/dbraw/zinc/24/57/91/982245791.db2.gz SYVJOUMPAIBUHE-SNVBAGLBSA-N -1 0 300.322 -0.164 20 0 DBADRM CO[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@](C)(CO)C1 ZINC001363240195 982251794 /nfs/dbraw/zinc/25/17/94/982251794.db2.gz USYQYWYDKYQHJW-TVQRCGJNSA-N -1 0 314.342 -0.532 20 0 DBADRM C[C@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCS1(=O)=O ZINC001363264645 982288872 /nfs/dbraw/zinc/28/88/72/982288872.db2.gz BXJQSWRSDQSITR-LURJTMIESA-N -1 0 306.369 -0.752 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCC(CO)(CO)CC1)C(=O)[O-] ZINC001594891254 982289312 /nfs/dbraw/zinc/28/93/12/982289312.db2.gz LEYDPUZZPAYTMT-YPMHNXCESA-N -1 0 316.398 -0.331 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1C[C@@H](CO)[C@H](CO)C1)C(=O)[O-] ZINC001594893028 982299698 /nfs/dbraw/zinc/29/96/98/982299698.db2.gz GFNUQEYPJYASPL-BLFANLJRSA-N -1 0 302.371 -0.866 20 0 DBADRM CSCC[C@H](NC(=O)CN1CCCNC1=O)c1nnn[n-]1 ZINC001363278546 982300379 /nfs/dbraw/zinc/30/03/79/982300379.db2.gz CBHGKFGKNPHXFH-QMMMGPOBSA-N -1 0 313.387 -0.475 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](CO)[C@H](CO)C1)C(=O)[O-] ZINC001594893050 982300564 /nfs/dbraw/zinc/30/05/64/982300564.db2.gz GFNUQEYPJYASPL-ZPFDUUQYSA-N -1 0 302.371 -0.866 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C(=O)c2nccnc2C1=O)C(=O)[O-] ZINC001594893253 982302763 /nfs/dbraw/zinc/30/27/63/982302763.db2.gz SXOBYEUYJOYNAN-CBAPKCEASA-N -1 0 320.305 -0.312 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001363285195 982307277 /nfs/dbraw/zinc/30/72/77/982307277.db2.gz ZVCQSBIVNGLDHL-UHFFFAOYSA-N -1 0 317.353 -0.116 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](O)C[C@@H]1C(=O)[O-])C(=O)OC ZINC001594893727 982310419 /nfs/dbraw/zinc/31/04/19/982310419.db2.gz XBBNYPFDWLKQIH-GUDRVLHUSA-N -1 0 316.354 -0.790 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363304951 982328097 /nfs/dbraw/zinc/32/80/97/982328097.db2.gz DFJYJZZUFIIMQH-SNVBAGLBSA-N -1 0 318.337 -0.218 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001363311597 982331560 /nfs/dbraw/zinc/33/15/60/982331560.db2.gz NLIIHACMAQWWSB-UHFFFAOYSA-N -1 0 324.362 -0.062 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001363326368 982341928 /nfs/dbraw/zinc/34/19/28/982341928.db2.gz BNUIXPIIMNXPEW-UWVGGRQHSA-N -1 0 313.383 -0.585 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001363330910 982345969 /nfs/dbraw/zinc/34/59/69/982345969.db2.gz QIQXGRARDAQZFJ-ZKCHVHJHSA-N -1 0 312.326 -0.074 20 0 DBADRM Cn1cc(NC(=O)Cn2c(=O)[n-][nH]c2=O)c(Br)n1 ZINC001363365398 982363882 /nfs/dbraw/zinc/36/38/82/982363882.db2.gz VYVFGXBPGAFQFP-UHFFFAOYSA-N -1 0 317.103 -0.176 20 0 DBADRM CC(=O)N1C[C@H](C(=O)Nn2c(=O)[n-][nH]c2=O)Oc2ccccc21 ZINC001363373247 982367804 /nfs/dbraw/zinc/36/78/04/982367804.db2.gz BBMYKGAINQSCIH-SNVBAGLBSA-N -1 0 319.277 -0.427 20 0 DBADRM O=C(CCC(=O)N1CCC(O)CC1)NC1(c2nnn[n-]2)CCC1 ZINC001363375630 982368643 /nfs/dbraw/zinc/36/86/43/982368643.db2.gz CICPIJLCCKDEPQ-UHFFFAOYSA-N -1 0 322.369 -0.541 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCc2cn[nH]c2)c1 ZINC001363373593 982370310 /nfs/dbraw/zinc/37/03/10/982370310.db2.gz IDGCTAGPTARBAG-UHFFFAOYSA-N -1 0 310.335 -0.265 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CCCNC(=O)C1 ZINC001363379482 982374264 /nfs/dbraw/zinc/37/42/64/982374264.db2.gz DGPAIVWZJYWTST-UHFFFAOYSA-N -1 0 317.305 -0.772 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363406544 982394940 /nfs/dbraw/zinc/39/49/40/982394940.db2.gz BQDAWVDHVHFODU-SECBINFHSA-N -1 0 317.371 -0.686 20 0 DBADRM COC[C@@H](NC(=O)CN1CCCCCCC1=O)c1nnn[n-]1 ZINC001363410706 982396535 /nfs/dbraw/zinc/39/65/35/982396535.db2.gz FNMHVRNOFALMOB-SNVBAGLBSA-N -1 0 310.358 -0.204 20 0 DBADRM CN(C)c1cc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)ccn1 ZINC001363409281 982396791 /nfs/dbraw/zinc/39/67/91/982396791.db2.gz DHQFLBFAWFTGFU-JTQLQIEISA-N -1 0 303.326 -0.126 20 0 DBADRM COC[C@H](NC(=O)[C@@H](C)OC[C@H]1CCCCO1)c1nnn[n-]1 ZINC001363412316 982398820 /nfs/dbraw/zinc/39/88/20/982398820.db2.gz IVFWWKIKHHDDRI-MXWKQRLJSA-N -1 0 313.358 -0.022 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1COc2ccc(O)cc2O1)c1nnn[n-]1 ZINC001363433168 982408278 /nfs/dbraw/zinc/40/82/78/982408278.db2.gz JOHCOVDNXBLDOG-KCJUWKMLSA-N -1 0 321.293 -0.451 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1nc(C(F)(F)F)no1 ZINC001363434486 982409625 /nfs/dbraw/zinc/40/96/25/982409625.db2.gz QECWCNMMQMEBDW-GSVOUGTGSA-N -1 0 322.203 -0.032 20 0 DBADRM COC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001363438812 982413758 /nfs/dbraw/zinc/41/37/58/982413758.db2.gz VEILTSCEDRTIQJ-YUMQZZPRSA-N -1 0 314.346 -0.083 20 0 DBADRM CN1Cc2c(cccc2NC(=O)Cn2c(=O)[n-][nH]c2=O)C1=O ZINC001363442436 982414351 /nfs/dbraw/zinc/41/43/51/982414351.db2.gz UTSCEKPLPPCQOC-UHFFFAOYSA-N -1 0 303.278 -0.086 20 0 DBADRM NC(=O)C[C@H]1COCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001363453928 982427209 /nfs/dbraw/zinc/42/72/09/982427209.db2.gz KSWUBAOGQAVLOV-ZETCQYMHSA-N -1 0 306.278 -0.355 20 0 DBADRM CC(C)(CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1(O)CCOCC1 ZINC001363455930 982429106 /nfs/dbraw/zinc/42/91/06/982429106.db2.gz PESVJMKTRRPRML-UHFFFAOYSA-N -1 0 312.326 -0.420 20 0 DBADRM COC1(CO)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001363465666 982434436 /nfs/dbraw/zinc/43/44/36/982434436.db2.gz JWHVLHPZUZGJDY-UHFFFAOYSA-N -1 0 314.342 -0.531 20 0 DBADRM C[C@@H](NC(=O)c1cnc2n(c1=O)CCS2)c1nnc([O-])n1C ZINC001363466147 982435336 /nfs/dbraw/zinc/43/53/36/982435336.db2.gz QXDZDOUNGKSDGT-ZCFIWIBFSA-N -1 0 322.350 -0.326 20 0 DBADRM COCC1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC001363465266 982435463 /nfs/dbraw/zinc/43/54/63/982435463.db2.gz GWTVFTOGLDRBQX-UHFFFAOYSA-N -1 0 300.336 -0.242 20 0 DBADRM COC1(CO)CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001363465504 982435672 /nfs/dbraw/zinc/43/56/72/982435672.db2.gz HKVQJEJLQXDBRA-UHFFFAOYSA-N -1 0 321.337 -0.929 20 0 DBADRM O=C(NN1CCOC1=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001363483576 982446175 /nfs/dbraw/zinc/44/61/75/982446175.db2.gz SBJUXYBDMLRAKF-UHFFFAOYSA-N -1 0 305.250 -0.637 20 0 DBADRM CO[C@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)[C@H]1CCOC1 ZINC001363481274 982446518 /nfs/dbraw/zinc/44/65/18/982446518.db2.gz ATHRJVHGIWCRCS-VHSXEESVSA-N -1 0 314.342 -0.363 20 0 DBADRM O=C(C[C@@H]1CCNC1=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001363495522 982458729 /nfs/dbraw/zinc/45/87/29/982458729.db2.gz LMDNZFYMFCYQOT-JQWIXIFHSA-N -1 0 300.322 -0.069 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001489765658 1014843583 /nfs/dbraw/zinc/84/35/83/1014843583.db2.gz DZHOLKLRSIBBGO-AEJSXWLSSA-N -1 0 323.353 -0.595 20 0 DBADRM CC(C)(C)N1C[C@@H](C(=O)N2CCOC[C@H]2c2nnn[n-]2)CC1=O ZINC001363509816 982472762 /nfs/dbraw/zinc/47/27/62/982472762.db2.gz CINSKYHUGUIJGK-UWVGGRQHSA-N -1 0 322.369 -0.253 20 0 DBADRM CN(C[C@H]1C[C@@H](O)C1)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363510525 982473396 /nfs/dbraw/zinc/47/33/96/982473396.db2.gz GMPWRKHCTSVKKP-WVSHTKLVSA-N -1 0 302.338 -0.082 20 0 DBADRM Cc1c(C(=O)N2CCOC[C@H]2c2nnn[n-]2)nnn1C(C)C ZINC001363513589 982476912 /nfs/dbraw/zinc/47/69/12/982476912.db2.gz QOGYJACXHQCJFN-VIFPVBQESA-N -1 0 306.330 -0.106 20 0 DBADRM O=C(COCc1cc[nH]c(=O)c1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363515253 982477914 /nfs/dbraw/zinc/47/79/14/982477914.db2.gz XKEXRUHWBFJOQU-SNVBAGLBSA-N -1 0 320.309 -0.583 20 0 DBADRM COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001363517284 982479695 /nfs/dbraw/zinc/47/96/95/982479695.db2.gz JBCNSEKPBLXZBQ-MRVPVSSYSA-N -1 0 313.310 -0.152 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2COCC[C@H]2O)cn1 ZINC001363515497 982480393 /nfs/dbraw/zinc/48/03/93/982480393.db2.gz BXKLWNPQKOBRGA-NXEZZACHSA-N -1 0 315.351 -0.667 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001363527994 982488181 /nfs/dbraw/zinc/48/81/81/982488181.db2.gz NHZVUKLJIMQBMN-ZETCQYMHSA-N -1 0 306.344 -0.885 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC001363528861 982488269 /nfs/dbraw/zinc/48/82/69/982488269.db2.gz KFKNDOBCOKAMLN-KOLCDFICSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)O2 ZINC001363533902 982491546 /nfs/dbraw/zinc/49/15/46/982491546.db2.gz VRDZRQZPWAALRE-FJBRNLEUSA-N -1 0 324.337 -0.015 20 0 DBADRM C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)O2 ZINC001363533909 982491862 /nfs/dbraw/zinc/49/18/62/982491862.db2.gz VRDZRQZPWAALRE-LVAGBLAWSA-N -1 0 324.337 -0.015 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNC(=O)CSc2n[nH]c(=O)[n-]2)C1(F)F ZINC001363533947 982493341 /nfs/dbraw/zinc/49/33/41/982493341.db2.gz GTGOPKXHWNPZNI-NJGYIYPDSA-N -1 0 322.293 -0.227 20 0 DBADRM CC[C@H](CN1CCOCC1)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001363540316 982496474 /nfs/dbraw/zinc/49/64/74/982496474.db2.gz ZYQOORABGAGITM-SECBINFHSA-N -1 0 315.399 -0.171 20 0 DBADRM CO[C@@]1(C(F)(F)F)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001363538990 982496801 /nfs/dbraw/zinc/49/68/01/982496801.db2.gz KVAZDSISKIECLB-VIFPVBQESA-N -1 0 310.232 -0.131 20 0 DBADRM C[C@@H](O)C1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001363542700 982497694 /nfs/dbraw/zinc/49/76/94/982497694.db2.gz ZHLOFQKHMRMAGO-SECBINFHSA-N -1 0 305.338 -0.309 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)c1cn(C(F)(F)CO)nn1 ZINC001363547040 982502002 /nfs/dbraw/zinc/50/20/02/982502002.db2.gz FNUAMSXBQNTWKM-UHFFFAOYSA-N -1 0 314.256 -0.858 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)C1(S(C)(=O)=O)CC1 ZINC001363549041 982503350 /nfs/dbraw/zinc/50/33/50/982503350.db2.gz WQEYHSIJENKJSO-UHFFFAOYSA-N -1 0 301.372 -0.239 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCC1)c1cn(C[C@@H]2CCOC2)nn1 ZINC001363556279 982508610 /nfs/dbraw/zinc/50/86/10/982508610.db2.gz ZOSKGHGJLSBZPR-VIFPVBQESA-N -1 0 318.341 -0.363 20 0 DBADRM Cc1nnc(N2CCN(C(=O)CCc3nnn[n-]3)CC2)s1 ZINC001363570106 982514315 /nfs/dbraw/zinc/51/43/15/982514315.db2.gz MBSCVVOZBMLFOP-UHFFFAOYSA-N -1 0 308.371 -0.359 20 0 DBADRM COCCn1cc(C(=O)N[C@@H](COC)c2nnn[n-]2)c(C)n1 ZINC001363584383 982521733 /nfs/dbraw/zinc/52/17/33/982521733.db2.gz FDVBMJIOZDYYNP-JTQLQIEISA-N -1 0 309.330 -0.531 20 0 DBADRM CCO[C@@H]1COCC[C@H]1CC(=O)N[C@@H](COC)c1nnn[n-]1 ZINC001363586590 982522967 /nfs/dbraw/zinc/52/29/67/982522967.db2.gz KKUSFKOYSWUPKT-GARJFASQSA-N -1 0 313.358 -0.165 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1CC(=O)N[C@H](COC)c1nnn[n-]1 ZINC001363586594 982524026 /nfs/dbraw/zinc/52/40/26/982524026.db2.gz KKUSFKOYSWUPKT-GMTAPVOTSA-N -1 0 313.358 -0.165 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CC(c2ccccn2)=NO1)c1nnn[n-]1 ZINC001363585148 982524356 /nfs/dbraw/zinc/52/43/56/982524356.db2.gz HIXLNLHRPFSEKH-MNOVXSKESA-N -1 0 317.309 -0.408 20 0 DBADRM COC[C@@H](NC(=O)CNC(=O)Nc1ccccc1)c1nnn[n-]1 ZINC001363587338 982524862 /nfs/dbraw/zinc/52/48/62/982524862.db2.gz LDGGMVLGOAWREX-SNVBAGLBSA-N -1 0 319.325 -0.175 20 0 DBADRM COC[C@@H](NC(=O)CNC(=O)c1ccccc1)c1nnn[n-]1 ZINC001363588881 982525949 /nfs/dbraw/zinc/52/59/49/982525949.db2.gz PKMASTCDAQHUQC-SNVBAGLBSA-N -1 0 304.310 -0.567 20 0 DBADRM CC(F)(F)CN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001363636481 982546664 /nfs/dbraw/zinc/54/66/64/982546664.db2.gz KOOUNOGPGSCNOS-UHFFFAOYSA-N -1 0 305.285 -0.511 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)CCCc2nnn[n-]2)CCS1(=O)=O ZINC001363652495 982553352 /nfs/dbraw/zinc/55/33/52/982553352.db2.gz LHKXITOAAXSNHX-RKDXNWHRSA-N -1 0 301.372 -0.396 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCC2N=NC(=O)N2C1)c1nn(C)cc1[O-] ZINC001363662050 982559786 /nfs/dbraw/zinc/55/97/86/982559786.db2.gz HGYJZMYHWMTHHS-JGVFFNPUSA-N -1 0 306.326 -0.137 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1c2ccccc2CC[C@H]1O ZINC001363668755 982563185 /nfs/dbraw/zinc/56/31/85/982563185.db2.gz STRGRDAZKYBCPI-PWSUYJOCSA-N -1 0 304.306 -0.146 20 0 DBADRM COC(=O)C[C@@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363701129 982578364 /nfs/dbraw/zinc/57/83/64/982578364.db2.gz CMSPAGJHWLFYEB-MRVPVSSYSA-N -1 0 304.310 -0.244 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363701641 982578550 /nfs/dbraw/zinc/57/85/50/982578550.db2.gz BOAAUHIEZLENMH-ZJUUUORDSA-N -1 0 320.353 -0.721 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cn1 ZINC001363719612 982587300 /nfs/dbraw/zinc/58/73/00/982587300.db2.gz JLEHPRFOIVXZLB-SECBINFHSA-N -1 0 301.310 -0.416 20 0 DBADRM COC(=O)c1cnn(CC(=O)N2CC[C@H](c3nnn[n-]3)C2)c1 ZINC001363721188 982588043 /nfs/dbraw/zinc/58/80/43/982588043.db2.gz MNAFNWNRXFTQQW-QMMMGPOBSA-N -1 0 305.298 -0.801 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1C[C@H](O)CC2(CCOCC2)C1 ZINC001363722482 982588861 /nfs/dbraw/zinc/58/88/61/982588861.db2.gz NXDZMTUTJIZUFK-LLVKDONJSA-N -1 0 309.370 -0.088 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(C)C ZINC001363729497 982591294 /nfs/dbraw/zinc/59/12/94/982591294.db2.gz LNLLRPLBCYAEKM-ASCAZGACSA-N -1 0 315.417 -0.407 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1CC[C@@H](c3nnn[n-]3)C1)CC2 ZINC001363727642 982592537 /nfs/dbraw/zinc/59/25/37/982592537.db2.gz WDXIPFONYZFSOE-NXEZZACHSA-N -1 0 302.342 -0.322 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCC1(n2cccn2)CC1 ZINC001363752425 982606472 /nfs/dbraw/zinc/60/64/72/982606472.db2.gz NYADIDYTAPAJLM-UHFFFAOYSA-N -1 0 306.326 -0.029 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C=C(C)C ZINC001531339885 1014855373 /nfs/dbraw/zinc/85/53/73/1014855373.db2.gz UPPPXKFAWAQITF-QMMMGPOBSA-N -1 0 309.326 -0.126 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOC[C@H]1C[C@H]1CCCO1 ZINC001363777979 982626292 /nfs/dbraw/zinc/62/62/92/982626292.db2.gz GASVGJMYIJMDDL-NXEZZACHSA-N -1 0 312.326 -0.514 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001363775646 982626766 /nfs/dbraw/zinc/62/67/66/982626766.db2.gz RGSSYOZLVRBEMQ-JGVFFNPUSA-N -1 0 302.356 -0.135 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC000911778446 982643503 /nfs/dbraw/zinc/64/35/03/982643503.db2.gz YLGMCUDLQCFOIP-NNYUYHANSA-N -1 0 301.339 -0.136 20 0 DBADRM O=C(N[C@@H]([C@H]1CCOC1)C(F)(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001363810629 982651216 /nfs/dbraw/zinc/65/12/16/982651216.db2.gz ITXUAFVUBQOGST-NJGYIYPDSA-N -1 0 308.216 -0.020 20 0 DBADRM Nc1nc2nc(CN3CC[C@H]4CC[C@@H](C3)[S@@]4=O)cc(=O)n2[n-]1 ZINC001363813817 982652865 /nfs/dbraw/zinc/65/28/65/982652865.db2.gz QXKPYHIDCLDKRW-BNJANLQDSA-N -1 0 322.394 -0.515 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)[N-][C@@]2(C(=O)OC)CCOC2)C1 ZINC001363820675 982655538 /nfs/dbraw/zinc/65/55/38/982655538.db2.gz JFTGQWPKXLHXEL-SBMIAAHKSA-N -1 0 321.351 -0.811 20 0 DBADRM Cn1cnnc1[C@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001363825959 982659249 /nfs/dbraw/zinc/65/92/49/982659249.db2.gz ZRRNYSBNCOUISH-ZETCQYMHSA-N -1 0 309.355 -0.253 20 0 DBADRM COC(=O)C1([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)CCC1 ZINC001363829947 982663827 /nfs/dbraw/zinc/66/38/27/982663827.db2.gz BDJIKTIRPJDDFQ-SFHVURJKSA-N -1 0 313.401 -0.509 20 0 DBADRM Cn1cc([C@H](CO)[N-]S(=O)(=O)N=S2(=O)CCCC2)cn1 ZINC001363835142 982665361 /nfs/dbraw/zinc/66/53/61/982665361.db2.gz QADKHALOCUXTPA-JTQLQIEISA-N -1 0 322.412 -0.450 20 0 DBADRM Nc1nc2nc(CN3CCO[C@@]4(CCCOC4)C3)cc(=O)n2[n-]1 ZINC001363880524 982685977 /nfs/dbraw/zinc/68/59/77/982685977.db2.gz SRUOZPTVMXQJFS-AWEZNQCLSA-N -1 0 320.353 -0.619 20 0 DBADRM COC(=O)[C@@H](CF)[N-]S(=O)(=O)Cc1noc(C2CC2)n1 ZINC001363925155 982729077 /nfs/dbraw/zinc/72/90/77/982729077.db2.gz IAWVNBWDAIIELI-SSDOTTSWSA-N -1 0 307.303 -0.123 20 0 DBADRM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001363931973 982732136 /nfs/dbraw/zinc/73/21/36/982732136.db2.gz GOICKBLRJIIEKZ-MDZLAQPJSA-N -1 0 321.395 -0.213 20 0 DBADRM O=c1nc(CNS(=O)(=O)C[C@@H]2CC[C@H](C3CC3)O2)[n-]o1 ZINC001363952051 982743874 /nfs/dbraw/zinc/74/38/74/982743874.db2.gz XALVGBBWVLLRIZ-DTWKUNHWSA-N -1 0 303.340 -0.260 20 0 DBADRM NC(=O)C1=NO[C@@H](CNS(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC001363968480 982754767 /nfs/dbraw/zinc/75/47/67/982754767.db2.gz NMTLNHHHNFDHNK-MRVPVSSYSA-N -1 0 317.298 -0.560 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)c1onc(C2CC2)c1Cl)C(N)=O ZINC001363975850 982762492 /nfs/dbraw/zinc/76/24/92/982762492.db2.gz PECXUXFVEQEGSI-ZCFIWIBFSA-N -1 0 323.758 -0.016 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H](CCO)C1CC1 ZINC001363980373 982764540 /nfs/dbraw/zinc/76/45/40/982764540.db2.gz LYQKEHFHMJEXJU-VIFPVBQESA-N -1 0 317.367 -0.056 20 0 DBADRM COCCC(=O)N1CCC(NS(=O)(=O)c2ncc[n-]2)CC1 ZINC001363986917 982768073 /nfs/dbraw/zinc/76/80/73/982768073.db2.gz DEUOKEALGUBNJB-UHFFFAOYSA-N -1 0 316.383 -0.285 20 0 DBADRM COC[C@@](C)(O)C[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001363987544 982768539 /nfs/dbraw/zinc/76/85/39/982768539.db2.gz XVUNJCQTSJOHLA-NSHDSACASA-N -1 0 307.324 -0.258 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccno1)c1ccnn1C ZINC001364013942 982785823 /nfs/dbraw/zinc/78/58/23/982785823.db2.gz UTLMBTCJODTTHQ-SNVBAGLBSA-N -1 0 314.323 -0.258 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CC(=O)N(CC(C)C)C1)c1nnn[n-]1 ZINC001364028423 982797776 /nfs/dbraw/zinc/79/77/76/982797776.db2.gz LEDOBNSFXABBRM-UWVGGRQHSA-N -1 0 310.358 -0.492 20 0 DBADRM COC[C@H](NC(=O)c1cc2n(n1)CCC[C@H]2O)c1nnn[n-]1 ZINC001364032992 982801163 /nfs/dbraw/zinc/80/11/63/982801163.db2.gz PMXNNJWLQKQFMP-WCBMZHEXSA-N -1 0 307.314 -0.659 20 0 DBADRM COC(=O)[C@]1(O)CCN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC001364036535 982802378 /nfs/dbraw/zinc/80/23/78/982802378.db2.gz FFGOJAIUVPDESN-LBPRGKRZSA-N -1 0 319.310 -0.170 20 0 DBADRM CCO[C@@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)[C@H]1CCOC1 ZINC001364048495 982807066 /nfs/dbraw/zinc/80/70/66/982807066.db2.gz MVQKPIYFXJYNDX-JGVFFNPUSA-N -1 0 318.355 -0.412 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001364047265 982807158 /nfs/dbraw/zinc/80/71/58/982807158.db2.gz HMERWGAXBHEPCX-NKWVEPMBSA-N -1 0 316.339 -0.264 20 0 DBADRM Cn1ccc(=O)c(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)c1 ZINC001364049954 982807688 /nfs/dbraw/zinc/80/76/88/982807688.db2.gz JHTBCRQVFJOWHA-SNVBAGLBSA-N -1 0 302.338 -0.007 20 0 DBADRM COC(=O)[C@@H](C[C@H]1CCCO1)NS(=O)(=O)c1ncc[n-]1 ZINC001364049546 982807826 /nfs/dbraw/zinc/80/78/26/982807826.db2.gz MEDGAALBRIPUKI-RKDXNWHRSA-N -1 0 303.340 -0.201 20 0 DBADRM C[C@]1(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)CCNC(=O)C1 ZINC001364049399 982808785 /nfs/dbraw/zinc/80/87/85/982808785.db2.gz GMMJDRSRAHBHSA-YGRLFVJLSA-N -1 0 306.370 -0.103 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[C@@H](NC(=O)c3cc(=O)[nH]cn3)C2)n1 ZINC001364052985 982810198 /nfs/dbraw/zinc/81/01/98/982810198.db2.gz ABIGAAZBYBKJHG-SECBINFHSA-N -1 0 316.321 -0.005 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)[N-]CC(F)(F)C(=O)OC ZINC001364056604 982810738 /nfs/dbraw/zinc/81/07/38/982810738.db2.gz VXXJVURRKQWBNB-LURJTMIESA-N -1 0 303.283 -0.477 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](O)c1c(F)cccc1F ZINC001364055984 982811014 /nfs/dbraw/zinc/81/10/14/982811014.db2.gz NQRVAYACCFOWBW-QMMMGPOBSA-N -1 0 314.248 -0.183 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)n1 ZINC001364063751 982813436 /nfs/dbraw/zinc/81/34/36/982813436.db2.gz APJNRLOBQRNEIB-UHFFFAOYSA-N -1 0 309.307 -0.024 20 0 DBADRM CS(=O)(=O)c1ccc(F)c(CNC(=O)c2n[nH]c(=O)[n-]2)c1 ZINC001364069363 982816590 /nfs/dbraw/zinc/81/65/90/982816590.db2.gz KJSRKIBSNXCDJU-UHFFFAOYSA-N -1 0 314.298 -0.017 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)N[C@@H]1CCOC[C@H]1O ZINC001364076839 982819632 /nfs/dbraw/zinc/81/96/32/982819632.db2.gz YKVKAWNDXLSYQL-RNFRBKRXSA-N -1 0 322.364 -0.642 20 0 DBADRM CCOC(=O)c1n[nH]c(CNC(=O)[C@H](OC)[C@H]2CCOC2)n1 ZINC001364083033 982820742 /nfs/dbraw/zinc/82/07/42/982820742.db2.gz JXZXJWIWXIWSLL-WCBMZHEXSA-N -1 0 312.326 -0.351 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCc2nc(CO)n[nH]2)c1 ZINC001364099704 982826770 /nfs/dbraw/zinc/82/67/70/982826770.db2.gz GUYGBAYZCNTNPG-QFIPXVFZSA-N -1 0 324.362 -0.270 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)CN1CCCCS1(=O)=O ZINC001364097591 982826961 /nfs/dbraw/zinc/82/69/61/982826961.db2.gz BLHULNMPVFYMLL-UHFFFAOYSA-N -1 0 304.328 -0.841 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)[N-]c2nnn(C(C)C)n2)CC1=O ZINC001364110994 982830305 /nfs/dbraw/zinc/83/03/05/982830305.db2.gz YLUTXSUDUBCBDG-QMMMGPOBSA-N -1 0 302.360 -0.384 20 0 DBADRM COC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCCOC1 ZINC001364111497 982830428 /nfs/dbraw/zinc/83/04/28/982830428.db2.gz WCOGSPTXRFXHRE-IUCAKERBSA-N -1 0 300.315 -0.753 20 0 DBADRM CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1n[nH]c(=O)[n-]1)C2 ZINC001364110451 982830676 /nfs/dbraw/zinc/83/06/76/982830676.db2.gz BBUBDVBWZNXMEW-RTHLEPHNSA-N -1 0 324.337 -0.059 20 0 DBADRM Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N(C)c1nnn[n-]1 ZINC001532084982 1014883591 /nfs/dbraw/zinc/88/35/91/1014883591.db2.gz FMDRMRQBSAFDCT-NSHDSACASA-N -1 0 313.325 -0.059 20 0 DBADRM Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N(C)c1nnn[n-]1 ZINC001532084981 1014883810 /nfs/dbraw/zinc/88/38/10/1014883810.db2.gz FMDRMRQBSAFDCT-LLVKDONJSA-N -1 0 313.325 -0.059 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC001364125371 982835832 /nfs/dbraw/zinc/83/58/32/982835832.db2.gz INMMBPSLTHYVHT-UHFFFAOYSA-N -1 0 316.387 -0.549 20 0 DBADRM C[C@]1([C@@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)COC(=O)N1 ZINC001364129335 982835918 /nfs/dbraw/zinc/83/59/18/982835918.db2.gz VGAXAENKILHEBE-FUXBKTLASA-N -1 0 323.309 -0.367 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC001364137034 982836808 /nfs/dbraw/zinc/83/68/08/982836808.db2.gz ZSMXSILKAJCWCQ-SECBINFHSA-N -1 0 303.330 -0.377 20 0 DBADRM CCC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)OC ZINC001364156586 982842505 /nfs/dbraw/zinc/84/25/05/982842505.db2.gz ZZZACUQIDUTSIG-ASCAZGACSA-N -1 0 315.417 -0.263 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCC[C@@H](CO)[C@H]1CO ZINC001364193861 982852674 /nfs/dbraw/zinc/85/26/74/982852674.db2.gz QAWZWKXRDPFEOH-GXSJLCMTSA-N -1 0 306.322 -0.772 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2cccc(Cl)c2[O-])C[C@H]1C(N)=O ZINC001364199268 982854149 /nfs/dbraw/zinc/85/41/49/982854149.db2.gz FENWNHLUYBBUPN-OCAPTIKFSA-N -1 0 311.725 -0.296 20 0 DBADRM Cc1nc2c(c(=O)[nH]1)CN(C(=O)CCNS(C)(=O)=O)C2 ZINC001364263103 982874118 /nfs/dbraw/zinc/87/41/18/982874118.db2.gz RZLNZLWLLBNHOZ-UHFFFAOYSA-N -1 0 300.340 -0.728 20 0 DBADRM CC(C)OC(=O)c1cc(NC(=O)Cn2ncn(C)c2=O)[nH]n1 ZINC001364291981 982887543 /nfs/dbraw/zinc/88/75/43/982887543.db2.gz VQTOFDGVLDJFPD-UHFFFAOYSA-N -1 0 308.298 -0.491 20 0 DBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC000926581125 982909918 /nfs/dbraw/zinc/90/99/18/982909918.db2.gz HKODOLIPXJFLHM-SNVBAGLBSA-N -1 0 305.400 -0.336 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000926604846 982914185 /nfs/dbraw/zinc/91/41/85/982914185.db2.gz IZCXSQNQVOJNCX-SBMIAAHKSA-N -1 0 304.368 -0.268 20 0 DBADRM Nc1nc2nc(CN3CCOC4(CCOCC4)C3)cc(=O)n2[n-]1 ZINC001364364670 982939491 /nfs/dbraw/zinc/93/94/91/982939491.db2.gz MGWFEDUTGMXHKY-UHFFFAOYSA-N -1 0 320.353 -0.619 20 0 DBADRM CCn1[n-]nnc1=NC(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC001364371529 982945380 /nfs/dbraw/zinc/94/53/80/982945380.db2.gz DFVUTBZDHNRORN-UHFFFAOYSA-N -1 0 319.329 -0.766 20 0 DBADRM CCN(CC)C(=O)CCC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001364384531 982953949 /nfs/dbraw/zinc/95/39/49/982953949.db2.gz YDLIMXZXOOTUEE-SNVBAGLBSA-N -1 0 310.358 -0.252 20 0 DBADRM C[C@@H]1[C@H](NC(=O)CSc2n[nH]c(=O)[n-]2)CCS1(=O)=O ZINC001364413526 982965171 /nfs/dbraw/zinc/96/51/71/982965171.db2.gz FURSFOXSRLTTKN-PHDIDXHHSA-N -1 0 306.369 -0.706 20 0 DBADRM COC(=O)[C@@]1(CNC(=O)c2c[n-]n3c2nccc3=O)CCOC1 ZINC001364464959 983006501 /nfs/dbraw/zinc/00/65/01/983006501.db2.gz PFPJYGQMMWMKNV-CQSZACIVSA-N -1 0 320.305 -0.668 20 0 DBADRM Cc1nc2c(c(=O)[nH]1)CN(CC1(O)CCS(=O)(=O)CC1)C2 ZINC001364487276 983018105 /nfs/dbraw/zinc/01/81/05/983018105.db2.gz OUALNJYWCLQJAB-UHFFFAOYSA-N -1 0 313.379 -0.254 20 0 DBADRM Cn1nc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1Cl ZINC001364484858 983018182 /nfs/dbraw/zinc/01/81/82/983018182.db2.gz MDDPDRYLFCPRNG-UHFFFAOYSA-N -1 0 304.719 -0.153 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001364528447 983039884 /nfs/dbraw/zinc/03/98/84/983039884.db2.gz JTPWRRCNABXOFC-PTZCXBDSSA-N -1 0 307.272 -0.223 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001364569324 983057202 /nfs/dbraw/zinc/05/72/02/983057202.db2.gz TZTSCXBSMNWJER-BDAKNGLRSA-N -1 0 316.387 -0.911 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001490251783 1014909253 /nfs/dbraw/zinc/90/92/53/1014909253.db2.gz WXLKEPSBPIGIAI-SNVBAGLBSA-N -1 0 312.374 -0.637 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CCn1cnccc1=O ZINC001364652280 983084634 /nfs/dbraw/zinc/08/46/34/983084634.db2.gz SRVONWGEIBOZSN-UHFFFAOYSA-N -1 0 305.342 -0.169 20 0 DBADRM C[S@@](=N)(=O)N1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001364715479 983103422 /nfs/dbraw/zinc/10/34/22/983103422.db2.gz ASERXHDKRQYOAH-FQEVSTJZSA-N -1 0 320.400 -0.662 20 0 DBADRM CCn1cc(CC(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001490268203 1014914468 /nfs/dbraw/zinc/91/44/68/1014914468.db2.gz KAMOSDYZDDHGKL-UHFFFAOYSA-N -1 0 321.385 -0.093 20 0 DBADRM O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1c[n-]n2c1nccc2=O ZINC001364735665 983113845 /nfs/dbraw/zinc/11/38/45/983113845.db2.gz ZHIYXHWYEAOHOG-KKZNHRDASA-N -1 0 304.306 -0.444 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC(CO)(CO)C1 ZINC001364762904 983123306 /nfs/dbraw/zinc/12/33/06/983123306.db2.gz VOTUBYDGIKJECK-UHFFFAOYSA-N -1 0 314.363 -0.515 20 0 DBADRM CNC(=O)C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC001364779433 983129807 /nfs/dbraw/zinc/12/98/07/983129807.db2.gz LIWCSNAVZXVRDR-SFHVURJKSA-N -1 0 305.381 -0.276 20 0 DBADRM O=S(=O)(NCc1nnnn1C1CC1)c1c[nH]nc1Cl ZINC001364786973 983135032 /nfs/dbraw/zinc/13/50/32/983135032.db2.gz CPIRCRDAZXYCKO-UHFFFAOYSA-N -1 0 303.735 -0.137 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)OC ZINC001364798063 983139044 /nfs/dbraw/zinc/13/90/44/983139044.db2.gz RANLETGSMMNWTF-LLVKDONJSA-N -1 0 319.339 -0.894 20 0 DBADRM CC[C@](C)(NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)OC ZINC001364798071 983140139 /nfs/dbraw/zinc/14/01/39/983140139.db2.gz RANLETGSMMNWTF-NSHDSACASA-N -1 0 319.339 -0.894 20 0 DBADRM COC[C@@H](NC(=O)CNC(=O)c1cccs1)c1nnn[n-]1 ZINC001364811641 983146504 /nfs/dbraw/zinc/14/65/04/983146504.db2.gz BQZFLCDTIWCLAU-SSDOTTSWSA-N -1 0 310.339 -0.505 20 0 DBADRM COCCn1ncc(C(=O)N[C@@H](COC)c2nnn[n-]2)c1C ZINC001364814017 983148708 /nfs/dbraw/zinc/14/87/08/983148708.db2.gz KKGXAKLNOCOQTH-JTQLQIEISA-N -1 0 309.330 -0.531 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C(N)=O)oc1Cl ZINC001364814892 983149663 /nfs/dbraw/zinc/14/96/63/983149663.db2.gz CFPDUOJWZHMTMK-BYPYZUCNSA-N -1 0 310.715 -0.128 20 0 DBADRM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)c1nnn[n-]1)C2=O ZINC001532480262 1014917661 /nfs/dbraw/zinc/91/76/61/1014917661.db2.gz AVXZYWMAYIQELL-ISVAXAHUSA-N -1 0 321.341 -0.337 20 0 DBADRM COC[C@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)c1nnn[n-]1 ZINC001364813736 983150594 /nfs/dbraw/zinc/15/05/94/983150594.db2.gz JYFYQWUHZSTWCF-VIFPVBQESA-N -1 0 307.314 -0.641 20 0 DBADRM COC[C@H](NC(=O)c1cc2n(n1)CCCC2=O)c1nnn[n-]1 ZINC001364816067 983152185 /nfs/dbraw/zinc/15/21/85/983152185.db2.gz SDCCLLROMRPORF-QMMMGPOBSA-N -1 0 305.298 -0.510 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)cn1 ZINC001364819402 983154099 /nfs/dbraw/zinc/15/40/99/983154099.db2.gz PTIFOSNJMBTUKR-SECBINFHSA-N -1 0 315.337 -0.212 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1nnc(C2CC2)o1 ZINC001364823412 983155776 /nfs/dbraw/zinc/15/57/76/983155776.db2.gz KJPXMWYPVMIIHZ-IBGZPJMESA-N -1 0 323.400 -0.144 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]CC(=O)NCC(F)F ZINC001364827753 983159303 /nfs/dbraw/zinc/15/93/03/983159303.db2.gz SFICWMLAPLSZPM-UHFFFAOYSA-N -1 0 321.371 -0.290 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]CC(=O)NCC1CC1 ZINC001364828379 983159773 /nfs/dbraw/zinc/15/97/73/983159773.db2.gz CAFCAQABRLTVGM-UHFFFAOYSA-N -1 0 311.429 -0.145 20 0 DBADRM COc1cc(S(=O)(=O)NCCc2nc(=O)o[n-]2)sn1 ZINC001364855552 983170695 /nfs/dbraw/zinc/17/06/95/983170695.db2.gz DCXVPZIZVCBALF-UHFFFAOYSA-N -1 0 306.325 -0.651 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@](C)(CO)OC ZINC001364870893 983178398 /nfs/dbraw/zinc/17/83/98/983178398.db2.gz VACIURHXSVXFFT-LLVKDONJSA-N -1 0 307.324 -0.258 20 0 DBADRM CO[C@]1(CNC(=O)c2c[n-]ncc2=O)CCS(=O)(=O)C1 ZINC001364878191 983180786 /nfs/dbraw/zinc/18/07/86/983180786.db2.gz DHYKKJFZUSWJJU-NSHDSACASA-N -1 0 301.324 -0.884 20 0 DBADRM C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)O2)CO1 ZINC001364878378 983181923 /nfs/dbraw/zinc/18/19/23/983181923.db2.gz OAYQDYJWJNJYOM-ZDMBXUJBSA-N -1 0 312.326 -0.468 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CCc1nnc[nH]1 ZINC001364885213 983185342 /nfs/dbraw/zinc/18/53/42/983185342.db2.gz OBYYXKHAGMBOCH-UHFFFAOYSA-N -1 0 300.296 -0.295 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H](O)CC(=O)OC ZINC001364897995 983190097 /nfs/dbraw/zinc/19/00/97/983190097.db2.gz YNZBMAYICFKERQ-QMMMGPOBSA-N -1 0 316.401 -0.747 20 0 DBADRM CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001364916984 983197745 /nfs/dbraw/zinc/19/77/45/983197745.db2.gz FQLKHGIDYUIGMJ-ZETCQYMHSA-N -1 0 309.326 -0.198 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCC2N=NC(=O)N2C)o1 ZINC001364933918 983203502 /nfs/dbraw/zinc/20/35/02/983203502.db2.gz WRSGLNDEKKSFQQ-UHFFFAOYSA-N -1 0 316.295 -0.621 20 0 DBADRM CNC(=O)C1(NS(=O)(=O)Cc2cc(C)on2)CCOCC1 ZINC001364932983 983204053 /nfs/dbraw/zinc/20/40/53/983204053.db2.gz AMLLOFDJUWRINU-UHFFFAOYSA-N -1 0 317.367 -0.302 20 0 DBADRM COC(=O)C(F)(F)C[N-]S(=O)(=O)N1CCOC(C)(C)C1 ZINC001364966740 983216618 /nfs/dbraw/zinc/21/66/18/983216618.db2.gz LMFDOWKXGWJYRR-UHFFFAOYSA-N -1 0 316.326 -0.260 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@]1(C)CCNC1=O ZINC001364974942 983218940 /nfs/dbraw/zinc/21/89/40/983218940.db2.gz FCERCFACPCMRCO-SNVBAGLBSA-N -1 0 319.364 -0.513 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NC2(c3ncon3)CC2)CC1 ZINC001364980500 983219677 /nfs/dbraw/zinc/21/96/77/983219677.db2.gz PCBRXVQKYGEAEZ-UHFFFAOYSA-N -1 0 301.324 -0.069 20 0 DBADRM CC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001532634220 1014925735 /nfs/dbraw/zinc/92/57/35/1014925735.db2.gz OUWUKFNVDQFDOV-SCZZXKLOSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)NCc1ccco1 ZINC001365037606 983237263 /nfs/dbraw/zinc/23/72/63/983237263.db2.gz QYDBDNIGBRIMTI-QMMMGPOBSA-N -1 0 323.396 -0.154 20 0 DBADRM Cn1[n-]c(C(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)cc1=O ZINC001365042723 983239758 /nfs/dbraw/zinc/23/97/58/983239758.db2.gz NDFHCNLCZGURMI-MRVPVSSYSA-N -1 0 303.340 -0.989 20 0 DBADRM CC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001532634222 1014926162 /nfs/dbraw/zinc/92/61/62/1014926162.db2.gz OUWUKFNVDQFDOV-WCBMZHEXSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC([C@@H]2COC(=O)N2)CC1 ZINC001365052652 983243001 /nfs/dbraw/zinc/24/30/01/983243001.db2.gz HECWMHNIMIIBTD-QMMMGPOBSA-N -1 0 311.298 -0.964 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCCS(=O)(=O)C[C@@H]1C ZINC001365056494 983244361 /nfs/dbraw/zinc/24/43/61/983244361.db2.gz PEPYKGPJMUXFOH-QMMMGPOBSA-N -1 0 302.360 -0.844 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC(=O)NCc1ccccc1 ZINC001365055368 983244454 /nfs/dbraw/zinc/24/44/54/983244454.db2.gz KAAAGLCCXCDLTD-UHFFFAOYSA-N -1 0 303.326 -0.447 20 0 DBADRM CCc1nnc([C@@H]2C[C@@H](O)CN2C(=O)c2cc(=O)n(C)[n-]2)[nH]1 ZINC001365151660 983277375 /nfs/dbraw/zinc/27/73/75/983277375.db2.gz ABLZEMACUWTMDD-APPZFPTMSA-N -1 0 306.326 -0.246 20 0 DBADRM CCc1nnc([C@@H]2C[C@@H](O)CN2C(=O)CCCc2nnn[n-]2)[nH]1 ZINC001365156744 983280314 /nfs/dbraw/zinc/28/03/14/983280314.db2.gz YBWCPWAUMLXZSX-BDAKNGLRSA-N -1 0 320.357 -0.463 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001365197679 983294243 /nfs/dbraw/zinc/29/42/43/983294243.db2.gz PGSNLSCVENUPBU-QMMMGPOBSA-N -1 0 315.351 -0.052 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(N2CCCOC2=O)CC1 ZINC001365198904 983294712 /nfs/dbraw/zinc/29/47/12/983294712.db2.gz BENHUMFXOQDWAB-UHFFFAOYSA-N -1 0 323.357 -0.047 20 0 DBADRM Cn1c(=O)cc(N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)[nH]c1=O ZINC001365244971 983309290 /nfs/dbraw/zinc/30/92/90/983309290.db2.gz YZTHUJYVXMFFOZ-QMMMGPOBSA-N -1 0 304.310 -0.328 20 0 DBADRM COCC[C@@H]([N-]S(=O)(=O)c1occc1C(=O)OC)C(N)=O ZINC001365381451 983357066 /nfs/dbraw/zinc/35/70/66/983357066.db2.gz JTSCHKHUPGTZDY-MRVPVSSYSA-N -1 0 320.323 -0.765 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001365390235 983361475 /nfs/dbraw/zinc/36/14/75/983361475.db2.gz NOUVJNFFGMMJBX-QMMMGPOBSA-N -1 0 323.353 -0.421 20 0 DBADRM COC[C@@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC001365395246 983362045 /nfs/dbraw/zinc/36/20/45/983362045.db2.gz NGDSIYVSTBWYNX-RBHXEPJQSA-N -1 0 302.418 -0.276 20 0 DBADRM O=S(=O)(NC1CC(CO)(CO)C1)c1cc([O-])cc(F)c1 ZINC001365452338 983392588 /nfs/dbraw/zinc/39/25/88/983392588.db2.gz SZYGTONZKOMJFS-UHFFFAOYSA-N -1 0 305.327 -0.057 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1)[C@@H](C)O ZINC001365458682 983395184 /nfs/dbraw/zinc/39/51/84/983395184.db2.gz HKNSISQBRIEZSC-HKWIRBFKSA-N -1 0 321.395 -0.214 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1)[C@@H](C)O ZINC001365458685 983395240 /nfs/dbraw/zinc/39/52/40/983395240.db2.gz HKNSISQBRIEZSC-YJQGPUDQSA-N -1 0 321.395 -0.214 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1cn(C2CC2)c(=O)[nH]c1=O ZINC001365499970 983403933 /nfs/dbraw/zinc/40/39/33/983403933.db2.gz DFPBHBBRFLFYOC-UHFFFAOYSA-N -1 0 320.313 -0.966 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001365499904 983404087 /nfs/dbraw/zinc/40/40/87/983404087.db2.gz AXBOIECPAVNJLQ-QMMMGPOBSA-N -1 0 319.329 -0.989 20 0 DBADRM CCCn1nccc1NC(=O)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001596121808 983460319 /nfs/dbraw/zinc/46/03/19/983460319.db2.gz JZJHAEOHSRUDAD-MWLCHTKSSA-N -1 0 324.337 -0.332 20 0 DBADRM CCCn1nccc1NC(=O)CN1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001596122192 983461087 /nfs/dbraw/zinc/46/10/87/983461087.db2.gz UGGWRRRTVGGXMG-QWRGUYRKSA-N -1 0 310.354 -0.001 20 0 DBADRM CCCn1nccc1NC(=O)CN1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001596122191 983461111 /nfs/dbraw/zinc/46/11/11/983461111.db2.gz UGGWRRRTVGGXMG-MNOVXSKESA-N -1 0 310.354 -0.001 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@H](O)CC(C)(C)C)c(=O)[nH]c1=O ZINC001365660704 983463711 /nfs/dbraw/zinc/46/37/11/983463711.db2.gz SADKPWHCLMYVLE-MRVPVSSYSA-N -1 0 319.383 -0.439 20 0 DBADRM CCN(C(=O)C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1)C1CC1 ZINC001596128509 983473359 /nfs/dbraw/zinc/47/33/59/983473359.db2.gz OFUYLKDYHAAJHP-ZJUUUORDSA-N -1 0 312.322 -0.671 20 0 DBADRM CCN(C(=O)CC(N)=O)[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001596134342 983483629 /nfs/dbraw/zinc/48/36/29/983483629.db2.gz WUAZBGKTJFAKPG-SNVBAGLBSA-N -1 0 321.337 -0.523 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001365696264 983484182 /nfs/dbraw/zinc/48/41/82/983484182.db2.gz HEXRKOXADFAHOG-UHFFFAOYSA-N -1 0 307.314 -0.795 20 0 DBADRM CC[C@@]1(O)CCN(S(=O)(=O)c2cc(C(=O)OC)[nH]n2)C1 ZINC001365702276 983488177 /nfs/dbraw/zinc/48/81/77/983488177.db2.gz PSPISDQLSYHJHJ-LLVKDONJSA-N -1 0 303.340 -0.268 20 0 DBADRM CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C(C)(C)C(=O)[O-] ZINC001596139937 983492133 /nfs/dbraw/zinc/49/21/33/983492133.db2.gz NORWNYGCNBQIEY-UHFFFAOYSA-N -1 0 309.388 -0.564 20 0 DBADRM CCN(C(=O)C[C@@H]1NC(=O)NC1=O)c1ncc(C(=O)[O-])s1 ZINC001596143956 983498578 /nfs/dbraw/zinc/49/85/78/983498578.db2.gz YKVSGSNEXJUAGJ-YFKPBYRVSA-N -1 0 312.307 -0.208 20 0 DBADRM CCN1CC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC001365728443 983506532 /nfs/dbraw/zinc/50/65/32/983506532.db2.gz UIRAKEVDVOAXET-MRVPVSSYSA-N -1 0 303.340 -0.166 20 0 DBADRM Cn1ncnc1C1(O)CN(S(=O)(=O)c2ccccc2[O-])C1 ZINC001365730514 983506775 /nfs/dbraw/zinc/50/67/75/983506775.db2.gz PDBYDUMIFWYZQH-UHFFFAOYSA-N -1 0 310.335 -0.587 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@H](CO)C[C@@H]1CCCO1 ZINC001365737954 983514157 /nfs/dbraw/zinc/51/41/57/983514157.db2.gz UBYOGQLVFKICLU-IUCAKERBSA-N -1 0 300.402 -0.522 20 0 DBADRM Cn1nccc1[C@H](O)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001365740804 983516651 /nfs/dbraw/zinc/51/66/51/983516651.db2.gz WFGTWWUATHRXDA-SNVBAGLBSA-N -1 0 322.412 -0.450 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001365960771 983612294 /nfs/dbraw/zinc/61/22/94/983612294.db2.gz QWCBVIXGDFTGJP-GHMZBOCLSA-N -1 0 308.386 -0.600 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1nccn1C ZINC001366641698 983888130 /nfs/dbraw/zinc/88/81/30/983888130.db2.gz RGHKRQMVYDMLTJ-UHFFFAOYSA-N -1 0 323.357 -0.939 20 0 DBADRM Cc1nccn1CC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001366677259 983899299 /nfs/dbraw/zinc/89/92/99/983899299.db2.gz NZJOYAGNRVJAIY-LLVKDONJSA-N -1 0 319.369 -0.204 20 0 DBADRM C[C@@]1(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCOC1 ZINC001366701285 983930355 /nfs/dbraw/zinc/93/03/55/983930355.db2.gz XXRDOZPFSCNBSB-QMTHXVAHSA-N -1 0 309.370 -0.125 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366951474 984079098 /nfs/dbraw/zinc/07/90/98/984079098.db2.gz UGZRDUBGFNYJCI-UHFFFAOYSA-N -1 0 324.385 -0.637 20 0 DBADRM CCCNC(=O)CCC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366981453 984098150 /nfs/dbraw/zinc/09/81/50/984098150.db2.gz IEIFMSZBHXFYMU-UHFFFAOYSA-N -1 0 324.385 -0.635 20 0 DBADRM O=C(CCn1cccc1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366984863 984099589 /nfs/dbraw/zinc/09/95/89/984099589.db2.gz PEQKHPZQCSXDSQ-UHFFFAOYSA-N -1 0 304.354 -0.050 20 0 DBADRM Cn1cncc1CCC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366988172 984103121 /nfs/dbraw/zinc/10/31/21/984103121.db2.gz HURDCPHQMHIYCM-UHFFFAOYSA-N -1 0 319.369 -0.575 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1nocc1C ZINC001367134445 984196825 /nfs/dbraw/zinc/19/68/25/984196825.db2.gz LNFKTEXAFURNAN-SECBINFHSA-N -1 0 324.341 -0.330 20 0 DBADRM Cn1cc(C(=O)N[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C2CC2)cn1 ZINC001367881001 984745540 /nfs/dbraw/zinc/74/55/40/984745540.db2.gz ADVQBRGHSROEML-SNVBAGLBSA-N -1 0 305.342 -0.458 20 0 DBADRM O=C(Cc1cncs1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001367941373 984810464 /nfs/dbraw/zinc/81/04/64/984810464.db2.gz DQKMQBANQPCNIW-MRVPVSSYSA-N -1 0 308.367 -0.100 20 0 DBADRM Cc1cc(C)n(CC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001367953406 984816410 /nfs/dbraw/zinc/81/64/10/984816410.db2.gz QGODPEYPTZPHSM-LLVKDONJSA-N -1 0 319.369 -0.286 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1Cc1cncs1 ZINC001367974757 984825043 /nfs/dbraw/zinc/82/50/43/984825043.db2.gz UQIWCNURZZBASR-QMMMGPOBSA-N -1 0 324.366 -0.464 20 0 DBADRM O=C(Cn1ccccc1=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001367975642 984825707 /nfs/dbraw/zinc/82/57/07/984825707.db2.gz IMPBSMCRJKSATQ-SNVBAGLBSA-N -1 0 318.337 -0.937 20 0 DBADRM C[N@H+](CC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1)C1CCC1 ZINC001368002393 984837123 /nfs/dbraw/zinc/83/71/23/984837123.db2.gz HCKJBAFKTKTMNB-UHFFFAOYSA-N -1 0 308.386 -0.267 20 0 DBADRM Cc1nn(C)cc1CC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001368003370 984837355 /nfs/dbraw/zinc/83/73/55/984837355.db2.gz ORGQCDYLJADJKS-UHFFFAOYSA-N -1 0 319.369 -0.467 20 0 DBADRM CNC(=O)CCCC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368070912 984860811 /nfs/dbraw/zinc/86/08/11/984860811.db2.gz VUIBXUYUQGDOBV-UHFFFAOYSA-N -1 0 310.358 -0.931 20 0 DBADRM C[C@@]1(NC(=O)CCc2nnc[nH]2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368153684 984886433 /nfs/dbraw/zinc/88/64/33/984886433.db2.gz RAXGHDCYCJEUSC-CYBMUJFWSA-N -1 0 320.357 -0.658 20 0 DBADRM Cc1cccc(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001368280020 985030661 /nfs/dbraw/zinc/03/06/61/985030661.db2.gz JGIKWOIHBUASSJ-UHFFFAOYSA-N -1 0 318.337 -0.810 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCC1(F)F ZINC001368302851 985066139 /nfs/dbraw/zinc/06/61/39/985066139.db2.gz KYZFQSDOWGTPLV-SSDOTTSWSA-N -1 0 317.296 -0.782 20 0 DBADRM CC1(C)CCC[C@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368303406 985066493 /nfs/dbraw/zinc/06/64/93/985066493.db2.gz IIRUDNIPZXNMPL-JTQLQIEISA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1(C2CC2)CC1 ZINC001368303063 985067212 /nfs/dbraw/zinc/06/72/12/985067212.db2.gz MEDOPZJFBZJNBB-UHFFFAOYSA-N -1 0 307.354 -0.637 20 0 DBADRM O=C(CCCF)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368372965 985127254 /nfs/dbraw/zinc/12/72/54/985127254.db2.gz JXQKPRODLPBXJN-ZDUSSCGKSA-N -1 0 315.349 -0.297 20 0 DBADRM Cc1cncn1CC(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001368397867 985149483 /nfs/dbraw/zinc/14/94/83/985149483.db2.gz FKFBERMGGXPDMC-NSHDSACASA-N -1 0 319.369 -0.252 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)CCCC(N)=O ZINC001368454680 985194090 /nfs/dbraw/zinc/19/40/90/985194090.db2.gz MXPZTVJJAOCANG-VIFPVBQESA-N -1 0 310.358 -0.801 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001368592276 985297267 /nfs/dbraw/zinc/29/72/67/985297267.db2.gz WXRMRHTXQPBQMZ-DTWKUNHWSA-N -1 0 311.342 -0.995 20 0 DBADRM CC(F)(F)C(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001368608336 985305394 /nfs/dbraw/zinc/30/53/94/985305394.db2.gz MRRFUEMQZMRQDI-GFCCVEGCSA-N -1 0 319.312 -0.391 20 0 DBADRM C[C@@H](NCc1ccon1)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001368891573 985548797 /nfs/dbraw/zinc/54/87/97/985548797.db2.gz FKEZVCXWWSWTEE-SFYZADRCSA-N -1 0 310.314 -0.640 20 0 DBADRM C[C@H](CNC(=O)C[C@H]1CCCC(=O)N1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001368966567 985614244 /nfs/dbraw/zinc/61/42/44/985614244.db2.gz XDRDJZDTUWYYDB-NXEZZACHSA-N -1 0 324.385 -0.494 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001368970172 985616377 /nfs/dbraw/zinc/61/63/77/985616377.db2.gz ZZLNOUKSGOUBEF-ZTHPDXAWSA-N -1 0 321.381 -0.130 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccoc1 ZINC001369015586 985657473 /nfs/dbraw/zinc/65/74/73/985657473.db2.gz YMCMVSXZNNTNHJ-UHFFFAOYSA-N -1 0 307.310 -0.530 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccsn1 ZINC001369021355 985662885 /nfs/dbraw/zinc/66/28/85/985662885.db2.gz DZXWRPBGECCRQR-UHFFFAOYSA-N -1 0 324.366 -0.666 20 0 DBADRM C[C@@H](NC(=O)Cc1cnoc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369092369 985715774 /nfs/dbraw/zinc/71/57/74/985715774.db2.gz QSHJCPOTBMWKED-MRVPVSSYSA-N -1 0 306.326 -0.323 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)N2CC[C@@H](O)[C@@H](O)C2)c(C(=O)[O-])c1C ZINC001589238674 985814381 /nfs/dbraw/zinc/81/43/81/985814381.db2.gz XMLFJSHKHRVEPA-MNOVXSKESA-N -1 0 324.333 -0.279 20 0 DBADRM C[C@]1(CC(=O)N2CCC[C@@]2(C)C(=O)[O-])CCS(=O)(=O)N1 ZINC001589240545 985816172 /nfs/dbraw/zinc/81/61/72/985816172.db2.gz UUAHDRQFCVEOHY-NEPJUHHUSA-N -1 0 304.368 -0.076 20 0 DBADRM CCNC(=O)CC(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001596456423 1017149276 /nfs/dbraw/zinc/14/92/76/1017149276.db2.gz OFADUBMILHCVGQ-SECBINFHSA-N -1 0 314.338 -0.233 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001369369814 985998357 /nfs/dbraw/zinc/99/83/57/985998357.db2.gz AGFKHHNLAPQZTM-OKOXNUMESA-N -1 0 321.381 -0.631 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)CCCC(N)=O)CC2)c1[O-] ZINC001491005881 1015186942 /nfs/dbraw/zinc/18/69/42/1015186942.db2.gz COOPLMUWTRMRGO-UHFFFAOYSA-N -1 0 323.353 -0.636 20 0 DBADRM CC(=O)c1cccc(O[C@@H](C)C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001589311820 986100225 /nfs/dbraw/zinc/10/02/25/986100225.db2.gz YNZVUDIAXRVGDY-JTQLQIEISA-N -1 0 322.317 -0.027 20 0 DBADRM CC(C)(C)C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001533579125 1015197365 /nfs/dbraw/zinc/19/73/65/1015197365.db2.gz VBKZBHNJACXVGS-SNAWJCMRSA-N -1 0 309.326 -0.269 20 0 DBADRM COCCOCC(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001533667310 1015207998 /nfs/dbraw/zinc/20/79/98/1015207998.db2.gz XQVUFSARDIDQHH-MRVPVSSYSA-N -1 0 314.342 -0.679 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC001369817453 986381826 /nfs/dbraw/zinc/38/18/26/986381826.db2.gz AECDCELEIFPTGK-IONNQARKSA-N -1 0 323.353 -0.721 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)Cc2nnc[nH]2)c1[O-] ZINC001369845162 986401940 /nfs/dbraw/zinc/40/19/40/986401940.db2.gz SHAFAYLLOPAFRM-SSDOTTSWSA-N -1 0 321.341 -0.639 20 0 DBADRM C[C@@H](CNC(=O)C1(C)CC1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001369855844 986406937 /nfs/dbraw/zinc/40/69/37/986406937.db2.gz CYCQTPWBQDSSQT-VIFPVBQESA-N -1 0 322.365 -0.137 20 0 DBADRM CC(C)CC(=O)N(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001369907058 986451514 /nfs/dbraw/zinc/45/15/14/986451514.db2.gz YZSYRNAWXNHKCC-QMMMGPOBSA-N -1 0 311.342 -0.094 20 0 DBADRM O=C(NCCNC(=O)[C@@H]1CCCO1)c1ccc2oc(=O)nc-2[n-]1 ZINC001491092942 1015226014 /nfs/dbraw/zinc/22/60/14/1015226014.db2.gz UHBRCMIDQTVQJM-JTQLQIEISA-N -1 0 320.305 -0.047 20 0 DBADRM Cn1ccnc1CCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001370011352 986556727 /nfs/dbraw/zinc/55/67/27/986556727.db2.gz PJPQBKQNKPFCOI-JTQLQIEISA-N -1 0 319.369 -0.433 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC001370462114 986750625 /nfs/dbraw/zinc/75/06/25/986750625.db2.gz LDOXRDRMXJTECB-IONNQARKSA-N -1 0 323.353 -0.721 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1CC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001370478627 986760887 /nfs/dbraw/zinc/76/08/87/986760887.db2.gz FGOXDQWFFFGNGR-HTQZYQBOSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)NC(=O)c1cn[nH]n1 ZINC001370515134 986782824 /nfs/dbraw/zinc/78/28/24/986782824.db2.gz NHCLAWCHHBJKNH-UWVGGRQHSA-N -1 0 322.369 -0.702 20 0 DBADRM CCC1(C(=O)N[C@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001370683974 986882581 /nfs/dbraw/zinc/88/25/81/986882581.db2.gz LOHDAQKOBWTWML-VIFPVBQESA-N -1 0 310.354 -0.179 20 0 DBADRM CCCC(=O)NC[C@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001534652826 1015260197 /nfs/dbraw/zinc/26/01/97/1015260197.db2.gz HDJNYWBCOGLBAV-SECBINFHSA-N -1 0 308.338 -0.383 20 0 DBADRM CCNC(=O)CN1CCC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001596462292 1017151904 /nfs/dbraw/zinc/15/19/04/1017151904.db2.gz WMRSTWYLUXKLDV-NEPJUHHUSA-N -1 0 311.382 -0.234 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001370759171 986971203 /nfs/dbraw/zinc/97/12/03/986971203.db2.gz MFMWTHJVYRDTLI-ZJUUUORDSA-N -1 0 324.385 -0.650 20 0 DBADRM C/C=C(/C)C(=O)NC[C@@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001534758807 1015279692 /nfs/dbraw/zinc/27/96/92/1015279692.db2.gz VKPOFDZTLRRWBP-FWAPLPHYSA-N -1 0 320.349 -0.217 20 0 DBADRM CCNC(=O)CN1CC=C(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001596461485 1017152357 /nfs/dbraw/zinc/15/23/57/1017152357.db2.gz BDOUCSDYNCMBBK-VXGBXAGGSA-N -1 0 309.366 -0.409 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC(C)C)C2)c1[O-] ZINC001371449239 987352973 /nfs/dbraw/zinc/35/29/73/987352973.db2.gz YDQKXLMNLTWMPR-NXEZZACHSA-N -1 0 310.354 -0.229 20 0 DBADRM CN(C[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1(C)CC1 ZINC001371610571 987441431 /nfs/dbraw/zinc/44/14/31/987441431.db2.gz KMEGLDKPESQYAH-SECBINFHSA-N -1 0 323.353 -0.451 20 0 DBADRM CC[C@H](SC)C(=O)NCCN(C)Cc1nc(=O)n(C)[nH]1 ZINC001371943868 987561664 /nfs/dbraw/zinc/56/16/64/987561664.db2.gz FWHYSLNJYNIJKK-VIFPVBQESA-N -1 0 301.416 -0.202 20 0 DBADRM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001371997411 987596529 /nfs/dbraw/zinc/59/65/29/987596529.db2.gz RSHZSCYFFRWJQN-SNVBAGLBSA-N -1 0 323.353 -0.767 20 0 DBADRM CCC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001372005012 987601735 /nfs/dbraw/zinc/60/17/35/987601735.db2.gz PGQXIWCWCMNTJC-SECBINFHSA-N -1 0 323.353 -0.719 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCc2nccn2C1)Cc1n[nH]c(=O)[n-]1 ZINC001372032801 987620886 /nfs/dbraw/zinc/62/08/86/987620886.db2.gz VVNUNXRSRWISSP-SNVBAGLBSA-N -1 0 319.369 -0.483 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)Cc1n[nH]c(=O)[n-]1 ZINC001372048151 987627829 /nfs/dbraw/zinc/62/78/29/987627829.db2.gz ANDKGGQOEIYKBP-ULHKAFAUSA-N -1 0 307.354 -0.518 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001372771197 987870932 /nfs/dbraw/zinc/87/09/32/987870932.db2.gz NTGWMBWGJJLPNM-XPUUQOCRSA-N -1 0 311.342 -0.817 20 0 DBADRM O=C(CCn1ccnn1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001372793979 987881396 /nfs/dbraw/zinc/88/13/96/987881396.db2.gz PRKHKFWAJYJJJS-UHFFFAOYSA-N -1 0 320.357 -0.727 20 0 DBADRM C[C@H](CNC(=O)CC(F)(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001372800320 987884143 /nfs/dbraw/zinc/88/41/43/987884143.db2.gz VLMUQUGIHJBLCB-SCSAIBSYSA-N -1 0 323.231 -0.530 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3cnn(C)c3)CC2)c1[O-] ZINC001535209963 1015353104 /nfs/dbraw/zinc/35/31/04/1015353104.db2.gz BSPATJXOTBPSLY-UHFFFAOYSA-N -1 0 318.337 -0.150 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC1(CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001535211351 1015354077 /nfs/dbraw/zinc/35/40/77/1015354077.db2.gz SINVFUQSEWQNCB-MRVPVSSYSA-N -1 0 323.353 -0.673 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)CN2CCCC2=O)c1[O-] ZINC001373400612 988315331 /nfs/dbraw/zinc/31/53/31/988315331.db2.gz DOYVKMJVWYYCQZ-UHFFFAOYSA-N -1 0 323.353 -0.766 20 0 DBADRM CC[C@@H](F)C(=O)N(C)CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001373452911 988363643 /nfs/dbraw/zinc/36/36/43/988363643.db2.gz KSEYRBKDUIPCPB-SNVBAGLBSA-N -1 0 323.328 -0.041 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001373575155 988461106 /nfs/dbraw/zinc/46/11/06/988461106.db2.gz MEJNESIFFVOROY-GARJFASQSA-N -1 0 322.369 -0.790 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@@H]1CC1(F)F ZINC001373587079 988470620 /nfs/dbraw/zinc/47/06/20/988470620.db2.gz QBRIMLMNUZXHLQ-YFKPBYRVSA-N -1 0 317.252 -0.874 20 0 DBADRM CCN(C(=O)Cc1cnc[nH]1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373710526 988561588 /nfs/dbraw/zinc/56/15/88/988561588.db2.gz XEPNARJBCALLSP-NSHDSACASA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N[C@H](C)c2nnnn2C)c1[O-] ZINC001491429704 1015412012 /nfs/dbraw/zinc/41/20/12/1015412012.db2.gz CVYTYQUGZMEYTK-HTRCEHHLSA-N -1 0 308.346 -0.584 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C(=O)c2nc[nH]n2)C2CC2)c1[O-] ZINC001374219182 988824844 /nfs/dbraw/zinc/82/48/44/988824844.db2.gz VMGAIXACHCZUBC-UHFFFAOYSA-N -1 0 319.325 -0.424 20 0 DBADRM C[C@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)n1cccn1 ZINC001374238029 988830581 /nfs/dbraw/zinc/83/05/81/988830581.db2.gz GCFTZMYHXLYHHQ-SNVBAGLBSA-N -1 0 305.342 -0.388 20 0 DBADRM CCC(=O)N(C)C[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001374480491 988885259 /nfs/dbraw/zinc/88/52/59/988885259.db2.gz XYOHRSDTNVPSSM-MRVPVSSYSA-N -1 0 309.326 -0.387 20 0 DBADRM CN(CCN(C)C(=O)CO[C@H]1CCOC1)Cc1n[nH]c(=O)[n-]1 ZINC001374494974 988887538 /nfs/dbraw/zinc/88/75/38/988887538.db2.gz WOKNZGDENNPEFZ-JTQLQIEISA-N -1 0 313.358 -0.794 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001597702338 988926486 /nfs/dbraw/zinc/92/64/86/988926486.db2.gz DFWMJUVGMLONHN-WCBMZHEXSA-N -1 0 322.321 -0.729 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001597722549 988999658 /nfs/dbraw/zinc/99/96/58/988999658.db2.gz BDIFMZONEDBFSS-MNOVXSKESA-N -1 0 324.337 -0.643 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001597723146 989005936 /nfs/dbraw/zinc/00/59/36/989005936.db2.gz TXZZBAPNLYNDGL-BDAKNGLRSA-N -1 0 324.337 -0.785 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)[C@H](CC)C(=O)[O-])CC1 ZINC001596509318 1017155203 /nfs/dbraw/zinc/15/52/03/1017155203.db2.gz HDWMXRAOUVDCGW-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM CC1(CC(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001374713377 989163448 /nfs/dbraw/zinc/16/34/48/989163448.db2.gz YCWCLFAZEJAZNA-UHFFFAOYSA-N -1 0 307.310 -0.586 20 0 DBADRM C[C@@H]1CN(C[C@H]2[C@@H](C(=O)[O-])C2(F)F)CCN1S(C)(=O)=O ZINC001599865384 989243200 /nfs/dbraw/zinc/24/32/00/989243200.db2.gz AZXHNPSIXYQZBK-VGMNWLOBSA-N -1 0 312.338 -0.082 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)Cc2cnn(C)n2)c1[O-] ZINC001375023379 989370493 /nfs/dbraw/zinc/37/04/93/989370493.db2.gz QERYKBHOGGYYNS-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM CCN(C)C(=O)CN(C)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001375027933 989372457 /nfs/dbraw/zinc/37/24/57/989372457.db2.gz ZMKNGCDSSGXVPK-SECBINFHSA-N -1 0 311.386 -0.048 20 0 DBADRM COc1cc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)nn1C ZINC001375071881 989406950 /nfs/dbraw/zinc/40/69/50/989406950.db2.gz GHBVVZZSVZSORI-QMMMGPOBSA-N -1 0 323.357 -0.497 20 0 DBADRM Cc1nonc1CC(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001375127766 989444862 /nfs/dbraw/zinc/44/48/62/989444862.db2.gz FVBDQYPYMSYGMZ-ZETCQYMHSA-N -1 0 309.330 -0.619 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cc(S(C)(=O)=O)ccc1F ZINC001536984803 1015482577 /nfs/dbraw/zinc/48/25/77/1015482577.db2.gz NIPRNNUVACQTDT-UHFFFAOYSA-N -1 0 304.299 -0.363 20 0 DBADRM CC(=O)N1CCC[C@](C)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001537215273 1015492026 /nfs/dbraw/zinc/49/20/26/1015492026.db2.gz OQSXHQIHVOMYKG-CYBMUJFWSA-N -1 0 309.326 -0.339 20 0 DBADRM CCCC(=O)NCCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001491558620 1015488524 /nfs/dbraw/zinc/48/85/24/1015488524.db2.gz RWOUXHMDPZKLRV-UHFFFAOYSA-N -1 0 311.342 -0.362 20 0 DBADRM CC[C@H](F)CN1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001375369821 989578557 /nfs/dbraw/zinc/57/85/57/989578557.db2.gz UPHLCQYAFJUDJN-DTWKUNHWSA-N -1 0 301.322 -0.372 20 0 DBADRM C[C@@H]1COCC[C@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001375478545 989618401 /nfs/dbraw/zinc/61/84/01/989618401.db2.gz NBKSQYNYRDHQTE-NXEZZACHSA-N -1 0 309.370 -0.079 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)[C@H]2COCCO2)c1[O-] ZINC001491602629 1015512158 /nfs/dbraw/zinc/51/21/58/1015512158.db2.gz LIPPIKQHYAGGKG-SECBINFHSA-N -1 0 312.326 -0.925 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cscn1 ZINC001376001708 989840673 /nfs/dbraw/zinc/84/06/73/989840673.db2.gz DYCJDHRPQKOKRB-GFCCVEGCSA-N -1 0 324.366 -0.666 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cc(C)n(-c2nc(C)cc(C)n2)n1 ZINC001539090964 1015516841 /nfs/dbraw/zinc/51/68/41/1015516841.db2.gz GQOGMQKJQIYMPR-UHFFFAOYSA-N -1 0 318.337 -0.005 20 0 DBADRM Cc1noc(CCC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001376149277 989914438 /nfs/dbraw/zinc/91/44/38/989914438.db2.gz RKDXEHDPWFQUNN-VIFPVBQESA-N -1 0 321.341 -0.475 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC[C@H](F)C1 ZINC001376234592 989969446 /nfs/dbraw/zinc/96/94/46/989969446.db2.gz KMOPWOKDYOBVQX-BDAKNGLRSA-N -1 0 313.333 -0.689 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)Cc2cnc[nH]2)c1[O-] ZINC001376251626 989981318 /nfs/dbraw/zinc/98/13/18/989981318.db2.gz RMGHFIYOECXJSB-UHFFFAOYSA-N -1 0 320.353 -0.080 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)Cn2nccn2)c1[O-] ZINC001376253285 989983639 /nfs/dbraw/zinc/98/36/39/989983639.db2.gz VWVDINUGDCUPEL-UHFFFAOYSA-N -1 0 321.341 -0.754 20 0 DBADRM O=C(NCC1(O)CN(CCCO)C1)c1ccc2oc(=O)nc-2[n-]1 ZINC001376274798 989995813 /nfs/dbraw/zinc/99/58/13/989995813.db2.gz MZHNNNGPAKKNBY-UHFFFAOYSA-N -1 0 322.321 -0.913 20 0 DBADRM CC(C)C[C@@]1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CCNC1=O ZINC001542946185 1015535018 /nfs/dbraw/zinc/53/50/18/1015535018.db2.gz KZJGVCCXBAMHEP-HZMBPMFUSA-N -1 0 322.369 -0.348 20 0 DBADRM Cn1c2ccc(NC(=O)Cn3c(=O)[n-][nH]c3=O)cc2n(C)c1=O ZINC001544137198 1015545525 /nfs/dbraw/zinc/54/55/25/1015545525.db2.gz FKBUMSPGUDWZTC-UHFFFAOYSA-N -1 0 318.293 -0.482 20 0 DBADRM Cc1ccnc(CN[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001491655009 1015547161 /nfs/dbraw/zinc/54/71/61/1015547161.db2.gz RTNXTQFOZANQFD-SECBINFHSA-N -1 0 321.341 -0.918 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N[C@H](C)c1ncccn1 ZINC001491655340 1015548074 /nfs/dbraw/zinc/54/80/74/1015548074.db2.gz VMDTZXXYVNBPDO-RKDXNWHRSA-N -1 0 321.341 -0.665 20 0 DBADRM COCCNC(=O)[C@H](CC(C)C)NC(=O)CCc1nnn[n-]1 ZINC001545793624 1015553211 /nfs/dbraw/zinc/55/32/11/1015553211.db2.gz IYXDLMATYMAVFA-JTQLQIEISA-N -1 0 312.374 -0.574 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001376860582 990355583 /nfs/dbraw/zinc/35/55/83/990355583.db2.gz BPQCMKKAPUFWGK-SSDOTTSWSA-N -1 0 311.342 -0.863 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N[C@@H](CO)c1cnn(C)c1 ZINC001547440791 1015558096 /nfs/dbraw/zinc/55/80/96/1015558096.db2.gz UOHOYTQKTLMBSH-QMMMGPOBSA-N -1 0 309.351 -0.024 20 0 DBADRM COCC(=O)NC[C@H]1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)O1 ZINC001377044790 990427246 /nfs/dbraw/zinc/42/72/46/990427246.db2.gz QTOBDLNVSZWCIQ-SECBINFHSA-N -1 0 311.342 -0.994 20 0 DBADRM CCc1c[nH]c(CC(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001377168913 990468486 /nfs/dbraw/zinc/46/84/86/990468486.db2.gz HRFOQNKGLAGBRZ-UHFFFAOYSA-N -1 0 307.358 -0.414 20 0 DBADRM CN(CCNC(=O)Cc1ncccc1F)Cc1n[nH]c(=O)[n-]1 ZINC001377223884 990491936 /nfs/dbraw/zinc/49/19/36/990491936.db2.gz UKSMFZZTGFSGIS-UHFFFAOYSA-N -1 0 308.317 -0.165 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1cncc(F)c1 ZINC001377247560 990500645 /nfs/dbraw/zinc/50/06/45/990500645.db2.gz NMQNANZYLXEAHL-UHFFFAOYSA-N -1 0 324.316 -0.528 20 0 DBADRM CCN(CCNC(=O)C[C@@H]1CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001377350681 990541019 /nfs/dbraw/zinc/54/10/19/990541019.db2.gz RMCVUVQAJBJLMQ-VIFPVBQESA-N -1 0 310.358 -0.883 20 0 DBADRM CCCN(CCNC(=O)c1cnn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001377499065 990631519 /nfs/dbraw/zinc/63/15/19/990631519.db2.gz UNTATEYRJXESFY-UHFFFAOYSA-N -1 0 308.346 -0.719 20 0 DBADRM O=C(C[C@@H]1CCNC1=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001377529315 990643222 /nfs/dbraw/zinc/64/32/22/990643222.db2.gz PGTRPARXNGTLHQ-VIFPVBQESA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)Cc2ccon2)c1[O-] ZINC001377540007 990646905 /nfs/dbraw/zinc/64/69/05/990646905.db2.gz WGTYUHAVFYMEJG-ZETCQYMHSA-N -1 0 307.310 -0.111 20 0 DBADRM NC(=O)CN(CCNC(=O)c1ccc2oc(=O)nc-2[n-]1)C1CC1 ZINC001377557245 990653525 /nfs/dbraw/zinc/65/35/25/990653525.db2.gz IMOZTKFMOCIZMJ-UHFFFAOYSA-N -1 0 319.321 -0.392 20 0 DBADRM C[C@]12CCC(=O)N1[C@H](C(=O)N1CC[C@@H](c3nnn[n-]3)C1)CS2 ZINC001548499699 1015578788 /nfs/dbraw/zinc/57/87/88/1015578788.db2.gz OTZXQDBLWNCOPD-ZDMBXUJBSA-N -1 0 322.394 -0.030 20 0 DBADRM C[C@@H](CNC(=O)C1CC1)NC(=O)c1c[n-]n2c1nccc2=O ZINC001377618373 990676760 /nfs/dbraw/zinc/67/67/60/990676760.db2.gz FJEAVGLMKJJWNG-QMMMGPOBSA-N -1 0 303.322 -0.333 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CC12CC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001377867817 990765322 /nfs/dbraw/zinc/76/53/22/990765322.db2.gz LFFHLDYAOCULGQ-YUMQZZPRSA-N -1 0 309.326 -0.890 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2n[nH]cc2F)c1[O-] ZINC001377993211 990820432 /nfs/dbraw/zinc/82/04/32/990820432.db2.gz ZUFXZQDRNHSEDX-YFKPBYRVSA-N -1 0 310.289 -0.166 20 0 DBADRM CCNC(=O)CCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001378020780 990828079 /nfs/dbraw/zinc/82/80/79/990828079.db2.gz DHVRIOKSTZNOQJ-UWVGGRQHSA-N -1 0 322.369 -0.788 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001378118586 990862381 /nfs/dbraw/zinc/86/23/81/990862381.db2.gz LDEWZRZBTMUQPP-IUCAKERBSA-N -1 0 310.358 -0.932 20 0 DBADRM CN(C(=O)CCn1ccnn1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378154533 990871270 /nfs/dbraw/zinc/87/12/70/990871270.db2.gz QTXDVQGVARDMQE-JTQLQIEISA-N -1 0 320.357 -0.775 20 0 DBADRM CC(=O)NCC(=O)NC[C@H]1CCCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001378454541 990977174 /nfs/dbraw/zinc/97/71/74/990977174.db2.gz PBPIQIMIQQXLLH-LLVKDONJSA-N -1 0 324.385 -0.493 20 0 DBADRM C[C@]1(C(=O)NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)C=CCC1 ZINC001491757538 1015608992 /nfs/dbraw/zinc/60/89/92/1015608992.db2.gz FDJYTGIXALEOJY-AWEZNQCLSA-N -1 0 321.337 -0.125 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)[C@H]2CCN(C)C2=O)c1[O-] ZINC001379044259 991298845 /nfs/dbraw/zinc/29/88/45/991298845.db2.gz XTSZJISZKRJJLK-JTQLQIEISA-N -1 0 309.370 -0.342 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ccns1 ZINC001379066461 991316734 /nfs/dbraw/zinc/31/67/34/991316734.db2.gz CHXXNFOXRLNTRN-UHFFFAOYSA-N -1 0 324.366 -0.057 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)Cn3cncn3)CC2)c1[O-] ZINC001379143121 991355174 /nfs/dbraw/zinc/35/51/74/991355174.db2.gz ZMZJZJNKKSDULT-UHFFFAOYSA-N -1 0 319.325 -0.906 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccccc1F ZINC001379349340 991565475 /nfs/dbraw/zinc/56/54/75/991565475.db2.gz KYNIOBNCLQQGTC-QMMMGPOBSA-N -1 0 309.301 -0.470 20 0 DBADRM CSC[C@@H](C)C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001379365488 991588463 /nfs/dbraw/zinc/58/84/63/991588463.db2.gz DRSAPNYGNHJXJL-SFYZADRCSA-N -1 0 303.388 -0.924 20 0 DBADRM O=C(CCC1CC1)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001491867025 1015656758 /nfs/dbraw/zinc/65/67/58/1015656758.db2.gz ZVRHYFVPQJIATA-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccc(CF)cc1 ZINC001379544698 991784279 /nfs/dbraw/zinc/78/42/79/991784279.db2.gz XAQUIULZQJGGNN-NSHDSACASA-N -1 0 323.328 -0.140 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001379726432 991864514 /nfs/dbraw/zinc/86/45/14/991864514.db2.gz VOUPQXZMJSDYHC-OTYXRUKQSA-N -1 0 324.385 -0.637 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001491906060 1015666192 /nfs/dbraw/zinc/66/61/92/1015666192.db2.gz CUSBXYBIXZUMNG-GXSJLCMTSA-N -1 0 324.385 -0.542 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001548761515 1015671784 /nfs/dbraw/zinc/67/17/84/1015671784.db2.gz CYLZAOPYTNPCIW-VIFPVBQESA-N -1 0 305.342 -0.584 20 0 DBADRM Cc1occc1C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001379891007 992009054 /nfs/dbraw/zinc/00/90/54/992009054.db2.gz SOLIGNVZFUEBDE-SNVBAGLBSA-N -1 0 323.353 -0.023 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1Cc1cscn1 ZINC001380034701 992109677 /nfs/dbraw/zinc/10/96/77/992109677.db2.gz YVYQEQPAXKONEL-VIFPVBQESA-N -1 0 324.366 -0.464 20 0 DBADRM CO[C@H](C)C(=O)N(C)C1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001380218736 992201141 /nfs/dbraw/zinc/20/11/41/992201141.db2.gz UKATVRHTVLVGGM-SNVBAGLBSA-N -1 0 319.365 -0.300 20 0 DBADRM Cn1nccc1[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC(=O)N1C ZINC001549040430 1015692554 /nfs/dbraw/zinc/69/25/54/1015692554.db2.gz PGOBREKQMGYHBV-ARHDFHRDSA-N -1 0 306.322 -0.471 20 0 DBADRM Cn1nccc1[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC(=O)N1C ZINC001549040432 1015693569 /nfs/dbraw/zinc/69/35/69/1015693569.db2.gz PGOBREKQMGYHBV-KZFFXBSXSA-N -1 0 306.322 -0.471 20 0 DBADRM CCOC(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001596580039 1017161067 /nfs/dbraw/zinc/16/10/67/1017161067.db2.gz IHJLEYBTBVKKJB-ZETCQYMHSA-N -1 0 318.307 -0.054 20 0 DBADRM CC(C)CC(=O)N[C@@H](C)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001380369977 992284080 /nfs/dbraw/zinc/28/40/80/992284080.db2.gz HYCCYSJIKPUBAK-YUMQZZPRSA-N -1 0 311.342 -0.048 20 0 DBADRM CC(C)CC(=O)N[C@H](C)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001380369974 992285020 /nfs/dbraw/zinc/28/50/20/992285020.db2.gz HYCCYSJIKPUBAK-SFYZADRCSA-N -1 0 311.342 -0.048 20 0 DBADRM CCOC(=O)/C=C\CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001596583961 1017161210 /nfs/dbraw/zinc/16/12/10/1017161210.db2.gz QQFUPOUPRPQCGU-XOULXFPDSA-N -1 0 305.352 -0.321 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H](C)NC(=O)C1(C)CC1 ZINC001380476427 992327620 /nfs/dbraw/zinc/32/76/20/992327620.db2.gz RGQLAKQUDJOUKH-HTQZYQBOSA-N -1 0 311.342 -0.501 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCC2(O)CN(C(C)C)C2)cc1=O ZINC001380597430 992425485 /nfs/dbraw/zinc/42/54/85/992425485.db2.gz BLRFSANHHCUTCB-UHFFFAOYSA-N -1 0 324.425 -0.054 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C12CCC(CC1)C2 ZINC001380602245 992430344 /nfs/dbraw/zinc/43/03/44/992430344.db2.gz VSOAFRPWORHPSD-UHFFFAOYSA-N -1 0 321.381 -0.247 20 0 DBADRM CCCN1CC(O)(CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001380630099 992449273 /nfs/dbraw/zinc/44/92/73/992449273.db2.gz AWNWMWABBUDXNL-UHFFFAOYSA-N -1 0 305.338 -0.791 20 0 DBADRM CCC(CC)CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380635213 992455123 /nfs/dbraw/zinc/45/51/23/992455123.db2.gz HIHAGWCKWJDOGP-UHFFFAOYSA-N -1 0 311.386 -0.001 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001549181594 1015710526 /nfs/dbraw/zinc/71/05/26/1015710526.db2.gz ZZCWJNRDCKBLOG-JFGNBEQYSA-N -1 0 304.368 -0.252 20 0 DBADRM CNC(=O)CC(=O)NC1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001492079741 1015711865 /nfs/dbraw/zinc/71/18/65/1015711865.db2.gz IPFZBATUTBSLRU-UHFFFAOYSA-N -1 0 323.353 -0.719 20 0 DBADRM CC(F)(F)C(=O)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380722952 992496574 /nfs/dbraw/zinc/49/65/74/992496574.db2.gz WQVSHLUNWDTMJR-GFCCVEGCSA-N -1 0 319.312 -0.391 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001549229045 1015712210 /nfs/dbraw/zinc/71/22/10/1015712210.db2.gz JEFQIVAAIOPZSU-HUBLWGQQSA-N -1 0 310.350 -0.196 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549222019 1015713399 /nfs/dbraw/zinc/71/33/99/1015713399.db2.gz LOONBRBGXWPHTR-ZANVPECISA-N -1 0 319.379 -0.241 20 0 DBADRM Cc1nc(C)c(CC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)c(=O)[nH]1 ZINC001549222107 1015713513 /nfs/dbraw/zinc/71/35/13/1015713513.db2.gz LUWQDTHVHQXNEF-ZUZCIYMTSA-N -1 0 321.333 -0.099 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC001596595341 1017162573 /nfs/dbraw/zinc/16/25/73/1017162573.db2.gz SVGCKDFCIPZJMG-DTWKUNHWSA-N -1 0 305.352 -0.281 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001549307076 1015722141 /nfs/dbraw/zinc/72/21/41/1015722141.db2.gz ZJELLUSDWCUSJB-UGFHNGPFSA-N -1 0 310.350 -0.196 20 0 DBADRM Cc1nnc(CC(=O)N(C)CCCN(C)Cc2n[nH]c(=O)[n-]2)[nH]1 ZINC001380956420 992608480 /nfs/dbraw/zinc/60/84/80/992608480.db2.gz KWHXXESQGJHPAR-UHFFFAOYSA-N -1 0 322.373 -0.540 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC001549303845 1015720744 /nfs/dbraw/zinc/72/07/44/1015720744.db2.gz RZODLWNXIRGBKM-UPLXVJCVSA-N -1 0 324.337 -0.702 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1CCC(=O)NC1)Cc1n[nH]c(=O)[n-]1 ZINC001380971666 992614747 /nfs/dbraw/zinc/61/47/47/992614747.db2.gz OGWMNIFKRCTTNE-SNVBAGLBSA-N -1 0 324.385 -0.683 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CCO)CN(C(=O)[C@@H]3C[C@@H]3C)C2)c1[O-] ZINC001380969789 992614914 /nfs/dbraw/zinc/61/49/14/992614914.db2.gz PFDKQUOUHLJENW-WCBMZHEXSA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CCO)CN(C(=O)[C@H]3C[C@@H]3C)C2)c1[O-] ZINC001380969798 992615893 /nfs/dbraw/zinc/61/58/93/992615893.db2.gz PFDKQUOUHLJENW-WPRPVWTQSA-N -1 0 322.365 -0.227 20 0 DBADRM CN(CCCN(C)C(=O)C[C@H]1CCNC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001380977394 992617597 /nfs/dbraw/zinc/61/75/97/992617597.db2.gz DYFQRHOSMCLXRK-SNVBAGLBSA-N -1 0 324.385 -0.683 20 0 DBADRM NC(=O)c1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1 ZINC001549305499 1015721439 /nfs/dbraw/zinc/72/14/39/1015721439.db2.gz JMDQDMSIKCDVTI-NHYWBVRUSA-N -1 0 304.302 -0.041 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC001549307075 1015721544 /nfs/dbraw/zinc/72/15/44/1015721544.db2.gz ZJELLUSDWCUSJB-TUKIKUTGSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C(C(F)F)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001381033531 992636367 /nfs/dbraw/zinc/63/63/67/992636367.db2.gz UYTAHXXSGYJNCK-LLVKDONJSA-N -1 0 305.285 -0.782 20 0 DBADRM CC(C)C(=O)N[C@H](C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001381151602 992686448 /nfs/dbraw/zinc/68/64/48/992686448.db2.gz WSXFJQTWVTUMTA-MRVPVSSYSA-N -1 0 311.342 -0.692 20 0 DBADRM CCOC(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001596614071 1017162745 /nfs/dbraw/zinc/16/27/45/1017162745.db2.gz YWMHQIRHLGPXGZ-UHFFFAOYSA-N -1 0 304.324 -0.045 20 0 DBADRM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001381281724 992742368 /nfs/dbraw/zinc/74/23/68/992742368.db2.gz KVESYTDKAOLHEN-LLVKDONJSA-N -1 0 324.385 -0.589 20 0 DBADRM C[C@@H](CNC(=O)CO[C@H]1CCOC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381518718 992823367 /nfs/dbraw/zinc/82/33/67/992823367.db2.gz QEMBMIWMFIVCJI-UWVGGRQHSA-N -1 0 313.358 -0.748 20 0 DBADRM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381518722 992823919 /nfs/dbraw/zinc/82/39/19/992823919.db2.gz QEMBMIWMFIVCJI-VHSXEESVSA-N -1 0 313.358 -0.748 20 0 DBADRM C[C@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)N(C)CCF ZINC001381538553 992832790 /nfs/dbraw/zinc/83/27/90/992832790.db2.gz IVYFBVNWFCCXOL-SECBINFHSA-N -1 0 303.338 -0.125 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1ccon1 ZINC001381548308 992835844 /nfs/dbraw/zinc/83/58/44/992835844.db2.gz BQANTNVOLZABHE-SSDOTTSWSA-N -1 0 308.298 -0.479 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1ccns1 ZINC001381549594 992836283 /nfs/dbraw/zinc/83/62/83/992836283.db2.gz DUFADCDCWXGAKP-SSDOTTSWSA-N -1 0 324.366 -0.010 20 0 DBADRM Cc1ncc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1C ZINC001381569158 992839136 /nfs/dbraw/zinc/83/91/36/992839136.db2.gz FQJRTNPRPSSIOB-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM Cc1ccnn1CC(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381584729 992842426 /nfs/dbraw/zinc/84/24/26/992842426.db2.gz DCAFNIFODUKJJX-SNVBAGLBSA-N -1 0 307.358 -0.348 20 0 DBADRM C[C@H](CNC(=O)CCc1cnn(C)c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381623218 992851038 /nfs/dbraw/zinc/85/10/38/992851038.db2.gz XYEBSQNDPBERTB-SNVBAGLBSA-N -1 0 321.385 -0.187 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)Cc1nccn1C ZINC001381632881 992854920 /nfs/dbraw/zinc/85/49/20/992854920.db2.gz XHEWLNZBJQLFBN-SECBINFHSA-N -1 0 323.357 -0.941 20 0 DBADRM C[C@H](CN(C)C(=O)C(C)(C)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001381811940 992887447 /nfs/dbraw/zinc/88/74/47/992887447.db2.gz OFJXCYAMDDMBGC-SSDOTTSWSA-N -1 0 317.321 -0.600 20 0 DBADRM C[C@@H](NC(=O)[C@]1(C)CCC(=O)N1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381820666 992889807 /nfs/dbraw/zinc/88/98/07/992889807.db2.gz JCSBVPQGHFSEHU-CLAHSXSESA-N -1 0 322.369 -0.885 20 0 DBADRM C[C@H](NC(=O)[C@]1(C)CCC(=O)N1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381820667 992890033 /nfs/dbraw/zinc/89/00/33/992890033.db2.gz JCSBVPQGHFSEHU-RTHLEPHNSA-N -1 0 322.369 -0.885 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)c2cnon2)c1[O-] ZINC001381951703 992935007 /nfs/dbraw/zinc/93/50/07/992935007.db2.gz ZVSPHYLRZPJMMB-ZCFIWIBFSA-N -1 0 308.298 -0.303 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1cccc(F)c1 ZINC001382174030 993017455 /nfs/dbraw/zinc/01/74/55/993017455.db2.gz LSVUTDWXDUXAAE-JTQLQIEISA-N -1 0 309.301 -0.470 20 0 DBADRM CCOC(=O)C[C@H](O)CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001596593818 1017163007 /nfs/dbraw/zinc/16/30/07/1017163007.db2.gz BKGRYSVRJSDLEY-ISVAXAHUSA-N -1 0 316.310 -0.524 20 0 DBADRM CC(C)(CC(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001382199728 993045565 /nfs/dbraw/zinc/04/55/65/993045565.db2.gz CTGHRMQNOJVBOS-JTQLQIEISA-N -1 0 311.386 -0.097 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2cnns2)c1[O-] ZINC001382199926 993046326 /nfs/dbraw/zinc/04/63/26/993046326.db2.gz PGFZMSFBAWNTHV-ZETCQYMHSA-N -1 0 312.355 -0.844 20 0 DBADRM CCOC(=O)C[C@H](O)CN1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001596595875 1017163047 /nfs/dbraw/zinc/16/30/47/1017163047.db2.gz WGKMDNHCZXIAMN-OUAUKWLOSA-N -1 0 317.338 -0.361 20 0 DBADRM CN(CCCNC(=O)c1ccc[nH]1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001492269672 1015759229 /nfs/dbraw/zinc/75/92/29/1015759229.db2.gz HEDHSXDOAZCSRD-UHFFFAOYSA-N -1 0 322.325 -0.704 20 0 DBADRM CCOC(=O)C[C@H](O)CN1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001596595876 1017163468 /nfs/dbraw/zinc/16/34/68/1017163468.db2.gz WGKMDNHCZXIAMN-VWYCJHECSA-N -1 0 317.338 -0.361 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@@H]1C[C@H](N2CCOCC2)C12CCC2 ZINC001549842598 1015771212 /nfs/dbraw/zinc/77/12/12/1015771212.db2.gz UNPVWBIWATWLRS-NEPJUHHUSA-N -1 0 320.397 -0.108 20 0 DBADRM Cc1c[nH]cc1C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001382480300 993315852 /nfs/dbraw/zinc/31/58/52/993315852.db2.gz IECSPVGZLIJGGS-SNVBAGLBSA-N -1 0 322.369 -0.288 20 0 DBADRM CCOC(=O)CN1CCCN(C(=O)COCC(=O)[O-])CC1 ZINC001596624962 1017164518 /nfs/dbraw/zinc/16/45/18/1017164518.db2.gz SSLLACWFWCWEKG-UHFFFAOYSA-N -1 0 302.327 -0.815 20 0 DBADRM Cc1cncc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)c1 ZINC001492323949 1015778477 /nfs/dbraw/zinc/77/84/77/1015778477.db2.gz PPGGJNQUDMYSOO-UHFFFAOYSA-N -1 0 318.337 -0.152 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)c2cnn(C)n2)c1[O-] ZINC001382957508 993470399 /nfs/dbraw/zinc/47/03/99/993470399.db2.gz IXUMAGRTSWUCBF-SSDOTTSWSA-N -1 0 321.341 -0.557 20 0 DBADRM CO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001382966286 993474665 /nfs/dbraw/zinc/47/46/65/993474665.db2.gz PHKFPWYEFQFWGM-BDAKNGLRSA-N -1 0 314.342 -0.992 20 0 DBADRM C[C@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C1CC1 ZINC001383019738 993496012 /nfs/dbraw/zinc/49/60/12/993496012.db2.gz IAEYOXQXIVOKAC-MRVPVSSYSA-N -1 0 323.353 -0.412 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]2C[C@H]2C)c1[O-] ZINC001383132357 993554736 /nfs/dbraw/zinc/55/47/36/993554736.db2.gz IGOHZERDTBJKGJ-FBIMIBRVSA-N -1 0 324.381 -0.029 20 0 DBADRM CCOC(=O)N1CSC[C@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001596654211 1017165359 /nfs/dbraw/zinc/16/53/59/1017165359.db2.gz CAEBXQOTKWHSNB-CSMHCCOUSA-N -1 0 306.340 -0.532 20 0 DBADRM CC(=O)N[C@H]1CCC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001383428073 993650759 /nfs/dbraw/zinc/65/07/59/993650759.db2.gz ZRYVWZYNUNQPTP-VHSXEESVSA-N -1 0 323.353 -0.221 20 0 DBADRM CC(=O)NCC(=O)NC[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001383459554 993660903 /nfs/dbraw/zinc/66/09/03/993660903.db2.gz VMHQYJOQXQOHBG-MGCOHNPYSA-N -1 0 323.353 -0.816 20 0 DBADRM COCCn1cc(C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)cn1 ZINC001550347363 1015802816 /nfs/dbraw/zinc/80/28/16/1015802816.db2.gz YVQCXPULUXNGJI-RISCZKNCSA-N -1 0 309.322 -0.297 20 0 DBADRM COCCn1cc(C(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC001550347364 1015802831 /nfs/dbraw/zinc/80/28/31/1015802831.db2.gz YVQCXPULUXNGJI-SMDDNHRTSA-N -1 0 309.322 -0.297 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1C[C@H]3COC[C@]3(C(=O)[O-])C1)CC2 ZINC001550347408 1015803095 /nfs/dbraw/zinc/80/30/95/1015803095.db2.gz ZHSJADCGMOGHMM-HFBDOXOYSA-N -1 0 320.349 -0.520 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C(F)F ZINC001492445856 1015805685 /nfs/dbraw/zinc/80/56/85/1015805685.db2.gz QDKJWSBJYZVSAY-UHFFFAOYSA-N -1 0 305.241 -0.874 20 0 DBADRM CN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C=C1CCC1 ZINC001492456535 1015807271 /nfs/dbraw/zinc/80/72/71/1015807271.db2.gz AQRIUQDYHDVRED-UHFFFAOYSA-N -1 0 323.353 -0.236 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)CCC(F)F)c1[O-] ZINC001383907900 993829241 /nfs/dbraw/zinc/82/92/41/993829241.db2.gz IWXHOAGUUBMACK-SSDOTTSWSA-N -1 0 320.296 -0.324 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@]23C[C@H]2CCC3)c1[O-] ZINC001383997871 993894860 /nfs/dbraw/zinc/89/48/60/993894860.db2.gz PMGGZEBCPBREQM-HFBDOXOYSA-N -1 0 322.365 -0.179 20 0 DBADRM CCN(CCNC(=O)CN1CCCC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001492910134 1015825087 /nfs/dbraw/zinc/82/50/87/1015825087.db2.gz KHLSLXXULRVRQJ-UHFFFAOYSA-N -1 0 310.358 -0.929 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)[C@H](O)C(C)C)c1[O-] ZINC001400409598 994128489 /nfs/dbraw/zinc/12/84/89/994128489.db2.gz ZCEHLZURWFGFMS-GXSJLCMTSA-N -1 0 310.354 -0.229 20 0 DBADRM CC1(C(=O)NC[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001384492858 994161589 /nfs/dbraw/zinc/16/15/89/994161589.db2.gz KSCRVKQLQUENDY-OCAPTIKFSA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1C[C@@H](NC(=O)CC2CC2)C1 ZINC001384531977 994176260 /nfs/dbraw/zinc/17/62/60/994176260.db2.gz SMSFTJLNZIZBBS-AOOOYVTPSA-N -1 0 323.353 -0.500 20 0 DBADRM CC(C)(F)C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001400493792 994187411 /nfs/dbraw/zinc/18/74/11/994187411.db2.gz SKEQOUATPNKPJB-UHFFFAOYSA-N -1 0 315.305 -0.798 20 0 DBADRM CCN(CCNC(=O)[C@H](C)[C@H]1CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001493018971 1015840155 /nfs/dbraw/zinc/84/01/55/1015840155.db2.gz HVIRLFIWODMOLY-NXEZZACHSA-N -1 0 324.385 -0.637 20 0 DBADRM O=C(CCN1CCCC1=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400565671 994231541 /nfs/dbraw/zinc/23/15/41/994231541.db2.gz PJHBFWUHZUUPDO-UHFFFAOYSA-N -1 0 322.369 -0.929 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400627655 994265201 /nfs/dbraw/zinc/26/52/01/994265201.db2.gz CEWYYECOAHYDHJ-VIFPVBQESA-N -1 0 310.358 -0.885 20 0 DBADRM CC[C@@H](F)C(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001400783274 994346219 /nfs/dbraw/zinc/34/62/19/994346219.db2.gz OZJYMJDAMFOCLI-MRVPVSSYSA-N -1 0 315.305 -0.893 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NCc1nncn1C ZINC001400812720 994359211 /nfs/dbraw/zinc/35/92/11/994359211.db2.gz KGSGISBLWSCMES-VIFPVBQESA-N -1 0 307.358 -0.150 20 0 DBADRM C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552398868 1015857499 /nfs/dbraw/zinc/85/74/99/1015857499.db2.gz LLERTBUAGOIQFR-JIXVBMEVSA-N -1 0 311.338 -0.604 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)N[C@@H]1CCn3ccnc3C1)C2 ZINC001552403147 1015857690 /nfs/dbraw/zinc/85/76/90/1015857690.db2.gz MBUUYQOYACHDOS-HFAKWTLXSA-N -1 0 320.349 -0.060 20 0 DBADRM COc1cc(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)nn1C ZINC001552376333 1015857927 /nfs/dbraw/zinc/85/79/27/1015857927.db2.gz JOJJPDCHXLQWKP-SDBXPKJASA-N -1 0 310.310 -0.006 20 0 DBADRM Cn1cccc(NC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)c1=O ZINC001552376920 1015857936 /nfs/dbraw/zinc/85/79/36/1015857936.db2.gz LYCJNIOEBGHRMF-LKFCYVNXSA-N -1 0 307.306 -0.050 20 0 DBADRM Cn1cc(NC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)ccc1=O ZINC001552375898 1015857944 /nfs/dbraw/zinc/85/79/44/1015857944.db2.gz IPQRETMTXUGZHX-OTYXRUKQSA-N -1 0 307.306 -0.050 20 0 DBADRM Cn1cc(NC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)ccc1=O ZINC001552375896 1015858021 /nfs/dbraw/zinc/85/80/21/1015858021.db2.gz IPQRETMTXUGZHX-LKFCYVNXSA-N -1 0 307.306 -0.050 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001385197301 994404684 /nfs/dbraw/zinc/40/46/84/994404684.db2.gz PVALAAWVVFXRLS-RKDXNWHRSA-N -1 0 311.342 -0.548 20 0 DBADRM CN(CCN(C)C(=O)c1cc[nH]c(=O)c1)Cc1n[nH]c(=O)[n-]1 ZINC001401361397 994538181 /nfs/dbraw/zinc/53/81/81/994538181.db2.gz HIFNQZGUEQHRPK-UHFFFAOYSA-N -1 0 306.326 -0.185 20 0 DBADRM Cc1ncc(CC(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001493209890 1015870659 /nfs/dbraw/zinc/87/06/59/1015870659.db2.gz DUUBSHSLJCGOLU-JTQLQIEISA-N -1 0 320.353 -0.012 20 0 DBADRM Cc1nc(CNC[C@H](O)CNC(=O)c2[nH]nc(C)c2[O-])co1 ZINC001401518868 994617763 /nfs/dbraw/zinc/61/77/63/994617763.db2.gz PYULPQSPXSJPAS-JTQLQIEISA-N -1 0 309.326 -0.399 20 0 DBADRM O=C(COCC1CC1)NC[C@H](NC(=O)c1cn[nH]n1)C1CC1 ZINC001385844633 994650693 /nfs/dbraw/zinc/65/06/93/994650693.db2.gz QQJZUQZIWOYEOL-NSHDSACASA-N -1 0 307.354 -0.144 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2O)C1 ZINC001385987619 994709909 /nfs/dbraw/zinc/70/99/09/994709909.db2.gz ZVGNCVMKGQEOME-PHIMTYICSA-N -1 0 320.349 -0.358 20 0 DBADRM O=C(CCCF)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001386027265 994720785 /nfs/dbraw/zinc/72/07/85/994720785.db2.gz LNWDOUXMJMTVLQ-KNVOCYPGSA-N -1 0 313.289 -0.591 20 0 DBADRM Cc1cc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001401734790 994787988 /nfs/dbraw/zinc/78/79/88/994787988.db2.gz FULKIZSUPDCHFN-VIFPVBQESA-N -1 0 307.358 -0.197 20 0 DBADRM CCC(CC)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386182674 994789119 /nfs/dbraw/zinc/78/91/19/994789119.db2.gz VXGUJAOBCMDZRO-ZETCQYMHSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C1CCC(O)CC1 ZINC001401746231 994793798 /nfs/dbraw/zinc/79/37/98/994793798.db2.gz IMXGQRGLRBPEQQ-KPPDAEKUSA-N -1 0 311.386 -0.002 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)Cc2nncn2C)c1[O-] ZINC001401755763 994801567 /nfs/dbraw/zinc/80/15/67/994801567.db2.gz CXLFDFQXMJPREO-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)CCS(C)(=O)=O)c1[O-] ZINC001401763417 994805911 /nfs/dbraw/zinc/80/59/11/994805911.db2.gz JUJUFNYTDZMAIX-MRVPVSSYSA-N -1 0 318.399 -0.482 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1cnn(C)n1 ZINC001401785826 994811473 /nfs/dbraw/zinc/81/14/73/994811473.db2.gz ZEVDDOCRRWAGIW-SECBINFHSA-N -1 0 322.373 -0.792 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@H]2CC(=O)N(C)C2)c1[O-] ZINC001386227282 994813141 /nfs/dbraw/zinc/81/31/41/994813141.db2.gz LHNVFDMVZHGREQ-CBAPKCEASA-N -1 0 323.353 -0.863 20 0 DBADRM C[C@H](CN(C)Cc1ccnn1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001401798655 994816045 /nfs/dbraw/zinc/81/60/45/994816045.db2.gz NHRKFZPIPUFYTP-SECBINFHSA-N -1 0 323.357 -0.941 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)n1cccn1 ZINC001401887786 994841782 /nfs/dbraw/zinc/84/17/82/994841782.db2.gz UGARFMASDQOBPD-NXEZZACHSA-N -1 0 305.342 -0.342 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001493354234 1015895675 /nfs/dbraw/zinc/89/56/75/1015895675.db2.gz HPOPRIRCTNAWSX-NXEZZACHSA-N -1 0 323.353 -0.600 20 0 DBADRM C[C@@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)NC(=O)C(F)F ZINC001386335356 994867405 /nfs/dbraw/zinc/86/74/05/994867405.db2.gz VFBDMPKEPHKFDR-LURJTMIESA-N -1 0 321.284 -0.645 20 0 DBADRM COc1cccc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001401977720 994875089 /nfs/dbraw/zinc/87/50/89/994875089.db2.gz ZFCZNNSZLHYRRB-UHFFFAOYSA-N -1 0 318.337 -0.034 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC(C)(C)C1 ZINC001386399594 994887261 /nfs/dbraw/zinc/88/72/61/994887261.db2.gz GTEDICCOCUXXLM-ZETCQYMHSA-N -1 0 323.353 -0.047 20 0 DBADRM CN(C(=O)COc1cccnc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402033703 994889305 /nfs/dbraw/zinc/88/93/05/994889305.db2.gz PBMFHRZDQLQTEQ-UHFFFAOYSA-N -1 0 318.337 -0.373 20 0 DBADRM CCNC(=O)CN1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001402084176 994910195 /nfs/dbraw/zinc/91/01/95/994910195.db2.gz SXFQFMOTUWLDTF-SNVBAGLBSA-N -1 0 309.370 -0.246 20 0 DBADRM CCC1(C(=O)NCCN2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001402113995 994923083 /nfs/dbraw/zinc/92/30/83/994923083.db2.gz QWYGRAGJPMGIIP-UHFFFAOYSA-N -1 0 322.413 -0.066 20 0 DBADRM C[C@]1(NC(=O)CCn2cccn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402126026 994932868 /nfs/dbraw/zinc/93/28/68/994932868.db2.gz FNUHSHGPFIRMOE-AWEZNQCLSA-N -1 0 319.369 -0.122 20 0 DBADRM C[C@@]1(NC(=O)Cc2cnoc2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402136720 994942991 /nfs/dbraw/zinc/94/29/91/994942991.db2.gz ITEICEMJSHANDE-CYBMUJFWSA-N -1 0 306.326 -0.178 20 0 DBADRM O=C(CC1CCC1)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402272424 995026209 /nfs/dbraw/zinc/02/62/09/995026209.db2.gz PZWGVZZBTUGZFF-CQSZACIVSA-N -1 0 309.370 -0.247 20 0 DBADRM O=C(CC1CCC1)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402272422 995027698 /nfs/dbraw/zinc/02/76/98/995027698.db2.gz PZWGVZZBTUGZFF-AWEZNQCLSA-N -1 0 309.370 -0.247 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(CC[C@@H](C)F)C2)c1[O-] ZINC001402317135 995074093 /nfs/dbraw/zinc/07/40/93/995074093.db2.gz CHLFEFKJQRVUNB-MRVPVSSYSA-N -1 0 300.334 -0.052 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)[C@H]1CCC(=O)NC1 ZINC001493385190 1015913520 /nfs/dbraw/zinc/91/35/20/1015913520.db2.gz DIHCAXRLLKXGGC-VIFPVBQESA-N -1 0 322.369 -0.883 20 0 DBADRM CC[C@H](CN1CC(O)(CNC(=O)c2c(C)nc[nH]c2=O)C1)OC ZINC001402349466 995098856 /nfs/dbraw/zinc/09/88/56/995098856.db2.gz IBXVRENGUOQAOP-LLVKDONJSA-N -1 0 324.381 -0.308 20 0 DBADRM C[C@H](Sc1nc(CC(=O)[N-]OCCO)cs1)C(N)=O ZINC001556278776 1015916759 /nfs/dbraw/zinc/91/67/59/1015916759.db2.gz GSIIBAATFYCBLQ-LURJTMIESA-N -1 0 305.381 -0.308 20 0 DBADRM C[C@@H](O)CN1CC(O)(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001402376637 995115709 /nfs/dbraw/zinc/11/57/09/995115709.db2.gz VPVTWDVOLPDVCM-MRVPVSSYSA-N -1 0 322.321 -0.914 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2cn(C)c(=O)[nH]2)c1[O-] ZINC001386854334 995133680 /nfs/dbraw/zinc/13/36/80/995133680.db2.gz SQFJXRKSJFWNQV-UHFFFAOYSA-N -1 0 322.325 -0.635 20 0 DBADRM COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2c[n-]ncc2=O)C1 ZINC001556436299 1015918537 /nfs/dbraw/zinc/91/85/37/1015918537.db2.gz RUGKIWOKTHSVEC-MNOVXSKESA-N -1 0 311.338 -0.332 20 0 DBADRM O=C(N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc[nH]c1 ZINC001402453534 995146778 /nfs/dbraw/zinc/14/67/78/995146778.db2.gz QPYBGQUKKGPMIZ-AWEZNQCLSA-N -1 0 320.353 -0.405 20 0 DBADRM CN(CCOCCO)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001556367410 1015920536 /nfs/dbraw/zinc/92/05/36/1015920536.db2.gz FMOVLQJZACZWID-UHFFFAOYSA-N -1 0 322.321 -0.653 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(NCc2ccon2)CCC1 ZINC001402578782 995196521 /nfs/dbraw/zinc/19/65/21/995196521.db2.gz ZKAYIWHCRLCGFV-UHFFFAOYSA-N -1 0 322.325 -0.494 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC1CCC1 ZINC001386983626 995200498 /nfs/dbraw/zinc/20/04/98/995200498.db2.gz OOHGLSSBYOIPGE-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM C[C@H](C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCC1 ZINC001387013897 995214788 /nfs/dbraw/zinc/21/47/88/995214788.db2.gz JJSOPRHWJHQVTJ-QMMMGPOBSA-N -1 0 323.353 -0.093 20 0 DBADRM CC[C@@H](C)CC(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387028075 995220177 /nfs/dbraw/zinc/22/01/77/995220177.db2.gz IAWUOGVIUBIKGJ-SECBINFHSA-N -1 0 313.358 -0.300 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@]2(F)CCOC2)c1[O-] ZINC001387054455 995235761 /nfs/dbraw/zinc/23/57/61/995235761.db2.gz TVHVGEMHQYPTRP-UHLUBPPHSA-N -1 0 314.317 -0.213 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387054742 995235894 /nfs/dbraw/zinc/23/58/94/995235894.db2.gz KHSODEDFTDPYJL-MYJAWHEDSA-N -1 0 323.353 -0.690 20 0 DBADRM O=C(Cn1ccnc1)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402689469 995247803 /nfs/dbraw/zinc/24/78/03/995247803.db2.gz LJWWYFKALHSQKN-NSHDSACASA-N -1 0 319.369 -0.265 20 0 DBADRM O=C(Cn1ccnc1)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402689459 995248188 /nfs/dbraw/zinc/24/81/88/995248188.db2.gz LJWWYFKALHSQKN-LLVKDONJSA-N -1 0 319.369 -0.265 20 0 DBADRM CC(C)[C@H](C)C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387170900 995280885 /nfs/dbraw/zinc/28/08/85/995280885.db2.gz XRSVWSMJDLYWPW-BDAKNGLRSA-N -1 0 313.358 -0.398 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)[N-]O[C@@H](CO)C(C)C ZINC001556736355 1015932222 /nfs/dbraw/zinc/93/22/22/1015932222.db2.gz DDHGINNOGYTAJU-QWRGUYRKSA-N -1 0 317.386 -0.543 20 0 DBADRM CCN(CCNC(=O)[C@@H](C)CC(N)=O)C(=O)c1ncccc1O ZINC001387267343 995307514 /nfs/dbraw/zinc/30/75/14/995307514.db2.gz MJRCGXIJEMFRLH-JTQLQIEISA-N -1 0 322.365 -0.123 20 0 DBADRM CC(C)C(=O)NCC[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001387398542 995342792 /nfs/dbraw/zinc/34/27/92/995342792.db2.gz WNRTTWHZLOSPFJ-SECBINFHSA-N -1 0 310.354 -0.234 20 0 DBADRM COCOCCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001556793411 1015936646 /nfs/dbraw/zinc/93/66/46/1015936646.db2.gz FQNQIIYDXPWDJV-UHFFFAOYSA-N -1 0 306.326 -0.185 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NCc1nccs1 ZINC001402943714 995350839 /nfs/dbraw/zinc/35/08/39/995350839.db2.gz WBWBPNAOZRJVPB-LURJTMIESA-N -1 0 310.339 -0.353 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC1CC1 ZINC001387549510 995377657 /nfs/dbraw/zinc/37/76/57/995377657.db2.gz UTMMEIXADAEEOU-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM C[C@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CCCF ZINC001387552413 995378082 /nfs/dbraw/zinc/37/80/82/995378082.db2.gz DHSIBTGDDGZVOX-MRVPVSSYSA-N -1 0 317.321 -0.550 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2cnsn2)c1[O-] ZINC001387648623 995404020 /nfs/dbraw/zinc/40/40/20/995404020.db2.gz MXXXOGSMQHGVFL-UHFFFAOYSA-N -1 0 310.339 -0.223 20 0 DBADRM CCn1nccc1C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403118919 995414774 /nfs/dbraw/zinc/41/47/74/995414774.db2.gz ZMIJGWRQHPQCTQ-SECBINFHSA-N -1 0 307.358 -0.023 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@@H]2CCNC(=O)C2)c1[O-] ZINC001387680128 995419756 /nfs/dbraw/zinc/41/97/56/995419756.db2.gz KWVOUPQCSATXOU-SECBINFHSA-N -1 0 323.353 -0.862 20 0 DBADRM C[C@@H](CNC(=O)CCc1ccn(C)n1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403133627 995420138 /nfs/dbraw/zinc/42/01/38/995420138.db2.gz NYHDZARMGCKPKZ-JTQLQIEISA-N -1 0 321.385 -0.187 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@]2(F)CCOC2)c1[O-] ZINC001387682259 995422022 /nfs/dbraw/zinc/42/20/22/995422022.db2.gz YARCDIAZQRHXMN-ZDUSSCGKSA-N -1 0 314.317 -0.259 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1nccn1C ZINC001403165778 995431811 /nfs/dbraw/zinc/43/18/11/995431811.db2.gz VERFPFZPBGQKKO-MRVPVSSYSA-N -1 0 321.341 -0.733 20 0 DBADRM CO[C@H](C)C(=O)N(C)CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001387743340 995463430 /nfs/dbraw/zinc/46/34/30/995463430.db2.gz CPPSRPXPLPKABK-SECBINFHSA-N -1 0 321.337 -0.754 20 0 DBADRM CC(C)(C)C(=O)N1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001387767971 995475803 /nfs/dbraw/zinc/47/58/03/995475803.db2.gz RRVMWWWGGMCTFO-UHFFFAOYSA-N -1 0 323.353 -0.412 20 0 DBADRM CCC(=O)NCC1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001387831484 995501860 /nfs/dbraw/zinc/50/18/60/995501860.db2.gz FGBVEJMBISTACC-UHFFFAOYSA-N -1 0 309.326 -0.800 20 0 DBADRM O=C(C[C@H]1CCOC1)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001403386632 995502707 /nfs/dbraw/zinc/50/27/07/995502707.db2.gz LOHFJCAQDCKPSC-KKOKHZNYSA-N -1 0 321.381 -0.269 20 0 DBADRM NC(=O)c1csc(CNC(=O)c2c[n-]n3c2nccc3=O)n1 ZINC001557540546 1015952500 /nfs/dbraw/zinc/95/25/00/1015952500.db2.gz XPBFVASCSXUKKY-UHFFFAOYSA-N -1 0 318.318 -0.492 20 0 DBADRM CCO[C@@H]1C[C@](NC(=O)[C@H]2CN(C)C(=O)N2)(C(=O)[O-])C1(C)C ZINC001596818165 1017172440 /nfs/dbraw/zinc/17/24/40/1017172440.db2.gz LMKVKRWKGCPORK-NUPCCRGMSA-N -1 0 313.354 -0.215 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)c1ccco1 ZINC001387952546 995555151 /nfs/dbraw/zinc/55/51/51/995555151.db2.gz PNSXKIKRPLCJLK-UHFFFAOYSA-N -1 0 309.282 -0.829 20 0 DBADRM COc1ccncc1CC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001403588601 995587408 /nfs/dbraw/zinc/58/74/08/995587408.db2.gz MAMOWOXKMMVNLU-UHFFFAOYSA-N -1 0 320.353 -0.295 20 0 DBADRM CCc1cnc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001403621748 995601512 /nfs/dbraw/zinc/60/15/12/995601512.db2.gz XNAHCGBRYAAIHR-UHFFFAOYSA-N -1 0 322.325 -0.305 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2cnc(C)cn2)c1[O-] ZINC001403634680 995604485 /nfs/dbraw/zinc/60/44/85/995604485.db2.gz AKLDAYMYYIJCFZ-LLVKDONJSA-N -1 0 320.353 -0.597 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2nncs2)c1[O-] ZINC001403634439 995604843 /nfs/dbraw/zinc/60/48/43/995604843.db2.gz ACUUTLUZYGTWIL-SSDOTTSWSA-N -1 0 312.355 -0.844 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2nncs2)c1[O-] ZINC001403634454 995605014 /nfs/dbraw/zinc/60/50/14/995605014.db2.gz ACUUTLUZYGTWIL-ZETCQYMHSA-N -1 0 312.355 -0.844 20 0 DBADRM O=C(Cc1cccs1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001403644577 995612538 /nfs/dbraw/zinc/61/25/38/995612538.db2.gz UBGSHBFVYPOFEG-MRVPVSSYSA-N -1 0 311.367 -0.619 20 0 DBADRM CC[C@@H](C)C(=O)NCCN(CC)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388189263 995630802 /nfs/dbraw/zinc/63/08/02/995630802.db2.gz XKXVLIAGUQHZGP-SECBINFHSA-N -1 0 313.358 -0.300 20 0 DBADRM Cc1cc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)c(C)n1C ZINC001403715321 995668832 /nfs/dbraw/zinc/66/88/32/995668832.db2.gz CABPINNNURRNAO-SNVBAGLBSA-N -1 0 322.369 -0.654 20 0 DBADRM CN(CCNC(=O)c1ccc(C(N)=O)cc1)Cc1n[nH]c(=O)[n-]1 ZINC001403772153 995698775 /nfs/dbraw/zinc/69/87/75/995698775.db2.gz BHRRTXWRAHCNMH-UHFFFAOYSA-N -1 0 318.337 -0.529 20 0 DBADRM CCN(CCNC(=O)CCn1cncn1)Cc1n[nH]c(=O)[n-]1 ZINC001403804544 995708317 /nfs/dbraw/zinc/70/83/17/995708317.db2.gz SKVYRFDDFTZVHG-UHFFFAOYSA-N -1 0 308.346 -0.870 20 0 DBADRM CC[C@@H](F)CN1CC[C@H]1CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388656569 995724547 /nfs/dbraw/zinc/72/45/47/995724547.db2.gz BAIUFKOPOJUOSC-ZJUUUORDSA-N -1 0 315.349 -0.030 20 0 DBADRM CCN(CCNC(=O)Cn1nc(C)cc1C)Cc1n[nH]c(=O)[n-]1 ZINC001403876407 995749347 /nfs/dbraw/zinc/74/93/47/995749347.db2.gz WYQKYVFOCUWCKB-UHFFFAOYSA-N -1 0 321.385 -0.038 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001388787516 995758652 /nfs/dbraw/zinc/75/86/52/995758652.db2.gz AZCVKXXXDWSJIV-SCZZXKLOSA-N -1 0 324.385 -0.496 20 0 DBADRM Cc1ncoc1C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001403906832 995769660 /nfs/dbraw/zinc/76/96/60/995769660.db2.gz ILSIIIJUGUEJIV-SECBINFHSA-N -1 0 324.341 -0.628 20 0 DBADRM CN(CCN(C)C(=O)C(C)(C)F)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388958698 995786455 /nfs/dbraw/zinc/78/64/55/995786455.db2.gz IASALUKQOWVRHE-UHFFFAOYSA-N -1 0 317.321 -0.646 20 0 DBADRM COCCN(CCNC(=O)c1ccnnc1)Cc1n[nH]c(=O)[n-]1 ZINC001403969299 995791525 /nfs/dbraw/zinc/79/15/25/995791525.db2.gz KJBMRPPZLNAZIK-UHFFFAOYSA-N -1 0 321.341 -0.821 20 0 DBADRM O=C(Cc1cc[nH]n1)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001403990582 995798301 /nfs/dbraw/zinc/79/83/01/995798301.db2.gz WWFXTZPAOOKJGZ-SNVBAGLBSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)C(C)(F)F)c1[O-] ZINC001389032897 995803426 /nfs/dbraw/zinc/80/34/26/995803426.db2.gz ANXLOAHTFHHHQF-ZCFIWIBFSA-N -1 0 306.269 -0.714 20 0 DBADRM CCCN(CCNC(=O)c1cnccn1)Cc1n[nH]c(=O)[n-]1 ZINC001404117337 995822281 /nfs/dbraw/zinc/82/22/81/995822281.db2.gz SLBDFVBIUUUFQP-UHFFFAOYSA-N -1 0 305.342 -0.058 20 0 DBADRM CCCN(CCNC(=O)c1cn(C)c(=O)[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001404158059 995828247 /nfs/dbraw/zinc/82/82/47/995828247.db2.gz XODOCKDSGJYOIF-UHFFFAOYSA-N -1 0 323.357 -0.409 20 0 DBADRM Cn1ncc(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)c1N ZINC001404231247 995839218 /nfs/dbraw/zinc/83/92/18/995839218.db2.gz RIEBYOMAAQFNGB-UHFFFAOYSA-N -1 0 320.357 -0.780 20 0 DBADRM CC[C@H](C)C(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001404287945 995846456 /nfs/dbraw/zinc/84/64/56/995846456.db2.gz MTSJZGNUNKMWHM-JGVFFNPUSA-N -1 0 311.342 -0.094 20 0 DBADRM CC(C)C1(C(=O)NC[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001389244417 995907349 /nfs/dbraw/zinc/90/73/49/995907349.db2.gz YLVHIJFGACKVOF-MRVPVSSYSA-N -1 0 323.353 -0.047 20 0 DBADRM CC(=O)N1CC(C(=O)N[C@@H](C)CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001389332383 995939248 /nfs/dbraw/zinc/93/92/48/995939248.db2.gz BBOGHUXTQCXETE-ZETCQYMHSA-N -1 0 323.353 -0.863 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001389385707 995962216 /nfs/dbraw/zinc/96/22/16/995962216.db2.gz GZVIOLFFQHQZIH-MNOVXSKESA-N -1 0 324.385 -0.494 20 0 DBADRM CC[C@H](C)[C@@H](C)C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389404188 995968534 /nfs/dbraw/zinc/96/85/34/995968534.db2.gz WZTCUWGDIRIHCO-JGVFFNPUSA-N -1 0 323.353 -0.094 20 0 DBADRM CCNC(=O)CCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001389505134 996016386 /nfs/dbraw/zinc/01/63/86/996016386.db2.gz HDVLQNMZEXUPFS-SNVBAGLBSA-N -1 0 324.385 -0.493 20 0 DBADRM CCC(=O)NC[C@H]1CCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001389567487 996029327 /nfs/dbraw/zinc/02/93/27/996029327.db2.gz AMVLUSKMHPAOQD-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001389603465 996040312 /nfs/dbraw/zinc/04/03/12/996040312.db2.gz HSPIRQCDVYFDCR-NXEZZACHSA-N -1 0 322.365 -0.137 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1C(=O)CCCF ZINC001389726933 996080259 /nfs/dbraw/zinc/08/02/59/996080259.db2.gz OPWRTKVGFFWKBA-QMMMGPOBSA-N -1 0 315.305 -0.844 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001389855222 996121414 /nfs/dbraw/zinc/12/14/14/996121414.db2.gz FYBKIAFDYDFGNQ-NXEZZACHSA-N -1 0 323.353 -0.690 20 0 DBADRM CN(CCNCc1ccon1)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001493612486 1016010601 /nfs/dbraw/zinc/01/06/01/1016010601.db2.gz DWSIPJDQHCTDGW-UHFFFAOYSA-N -1 0 322.325 -0.548 20 0 DBADRM O=C(Cc1nc[nH]n1)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001390142013 996192609 /nfs/dbraw/zinc/19/26/09/996192609.db2.gz OVDLHHZXEWMJRX-VIFPVBQESA-N -1 0 320.357 -0.658 20 0 DBADRM CC[C@@H](CNC(=O)CC1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001390168684 996197244 /nfs/dbraw/zinc/19/72/44/996197244.db2.gz YYGSWMQWWKXVMA-VIFPVBQESA-N -1 0 311.342 -0.500 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)c1cnn(C)n1 ZINC001390417838 996250242 /nfs/dbraw/zinc/25/02/42/996250242.db2.gz YZVQPMWDJDUNMT-MRVPVSSYSA-N -1 0 321.341 -0.509 20 0 DBADRM CC(C)CC(=O)N[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001493628353 1016017029 /nfs/dbraw/zinc/01/70/29/1016017029.db2.gz GYRJIYFXGKBGRU-SECBINFHSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CCC1 ZINC001390590877 996313773 /nfs/dbraw/zinc/31/37/73/996313773.db2.gz ZBQSXGJCMYYGBX-SECBINFHSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)CC(=O)N(C)C(C)C)c1[O-] ZINC001390752625 996358650 /nfs/dbraw/zinc/35/86/50/996358650.db2.gz MUUOECGNKBFKDD-UHFFFAOYSA-N -1 0 311.386 -0.048 20 0 DBADRM CN(CCNC(=O)c1cnc2n1CCC2)Cc1n[nH]c(=O)[n-]1 ZINC001390766452 996364384 /nfs/dbraw/zinc/36/43/84/996364384.db2.gz MHCLSRCWQSGJMT-UHFFFAOYSA-N -1 0 305.342 -0.485 20 0 DBADRM Cc1cc(OCC(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001390772147 996366699 /nfs/dbraw/zinc/36/66/99/996366699.db2.gz JSOQJMSLDQQDNX-UHFFFAOYSA-N -1 0 310.314 -0.566 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)NCCN(CC)Cc1n[nH]c(=O)[n-]1 ZINC001390950386 996415463 /nfs/dbraw/zinc/41/54/63/996415463.db2.gz IJPIILNZNFXUSZ-JTQLQIEISA-N -1 0 312.374 -0.637 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001391053502 996431448 /nfs/dbraw/zinc/43/14/48/996431448.db2.gz TZLZFNJHTOIBRQ-UWVGGRQHSA-N -1 0 320.357 -0.556 20 0 DBADRM C[C@H](C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)n1cncn1 ZINC001391155802 996470794 /nfs/dbraw/zinc/47/07/94/996470794.db2.gz HOHZMEPCXKLLIV-SECBINFHSA-N -1 0 320.357 -0.556 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001391311853 996512729 /nfs/dbraw/zinc/51/27/29/996512729.db2.gz LFPQDMOEJMJJGR-DJLDLDEBSA-N -1 0 323.353 -0.189 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccnc(S(C)(=O)=O)n2)C1 ZINC001593795841 996513229 /nfs/dbraw/zinc/51/32/29/996513229.db2.gz RWSNTYDDTUXCFV-LBPRGKRZSA-N -1 0 313.335 -0.183 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)[C@@H]1C[C@H]1C ZINC001391321075 996513740 /nfs/dbraw/zinc/51/37/40/996513740.db2.gz XLBXHTAJPAELKF-DJLDLDEBSA-N -1 0 311.342 -0.786 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)CCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001391335470 996517787 /nfs/dbraw/zinc/51/77/87/996517787.db2.gz GUNYLQMVRVLKBI-VXGBXAGGSA-N -1 0 322.413 -0.258 20 0 DBADRM CCC(=O)NC[C@H](CC(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001391425237 996538118 /nfs/dbraw/zinc/53/81/18/996538118.db2.gz DQXPRNVAYYPUTC-VIFPVBQESA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1nc(CN2CC(CNC(=O)Cn3c(=O)[n-][nH]c3=O)C2)co1 ZINC001391514077 996563057 /nfs/dbraw/zinc/56/30/57/996563057.db2.gz HDEMXYINSWCINP-UHFFFAOYSA-N -1 0 322.325 -0.766 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ncc(C)o1 ZINC001391746254 996622773 /nfs/dbraw/zinc/62/27/73/996622773.db2.gz XCHVCEBJAZNYOM-VIFPVBQESA-N -1 0 324.341 -0.330 20 0 DBADRM CC[C@@H](C)C(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001391755049 996625781 /nfs/dbraw/zinc/62/57/81/996625781.db2.gz BMPMFKQGAIWPKR-MRVPVSSYSA-N -1 0 311.342 -0.141 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnn(C)c1C ZINC001596886338 1017176126 /nfs/dbraw/zinc/17/61/26/1017176126.db2.gz BTGKMWMJEWTWGV-SECBINFHSA-N -1 0 305.356 -0.161 20 0 DBADRM CC1(C)C[C@H](O)CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC001593862214 996659975 /nfs/dbraw/zinc/65/99/75/996659975.db2.gz XBMCLEYGQIKJOK-VIFPVBQESA-N -1 0 317.367 -0.251 20 0 DBADRM CC1(C)CCN(CN2C[C@@H](C(=O)[O-])OC2=O)CCS1(=O)=O ZINC001593923634 996842342 /nfs/dbraw/zinc/84/23/42/996842342.db2.gz QQEMKIYGLSCXGS-VIFPVBQESA-N -1 0 320.367 -0.252 20 0 DBADRM CC1(C)CN(C(=O)NCCC(=O)NCCC(=O)[O-])CC[C@H]1O ZINC001593929673 996892685 /nfs/dbraw/zinc/89/26/85/996892685.db2.gz ZUBPGAZCEMUNTJ-SNVBAGLBSA-N -1 0 315.370 -0.230 20 0 DBADRM CCN(C(=O)CN(C)C(C)=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001405158624 997030217 /nfs/dbraw/zinc/03/02/17/997030217.db2.gz CZGXQWCMHKKSIG-NSHDSACASA-N -1 0 324.385 -0.589 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)C(C)(C)F)c1[O-] ZINC001405194231 997053904 /nfs/dbraw/zinc/05/39/04/997053904.db2.gz SUCWQOFYTMHQBO-ZETCQYMHSA-N -1 0 302.306 -0.621 20 0 DBADRM Cc1cnc([C@@H](C)NC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001392610677 997082718 /nfs/dbraw/zinc/08/27/18/997082718.db2.gz CVRFMYYDGYJONP-IONNQARKSA-N -1 0 324.341 -0.159 20 0 DBADRM CC1(C)NC(=O)N(CCOC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1=O ZINC001593967492 997112473 /nfs/dbraw/zinc/11/24/73/997112473.db2.gz JTMLXKKUPACSKH-JGVFFNPUSA-N -1 0 314.294 -0.508 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@H]1COC(=O)C1 ZINC001392655059 997116381 /nfs/dbraw/zinc/11/63/81/997116381.db2.gz XQPDTJKGRQWUGZ-RKDXNWHRSA-N -1 0 311.342 -0.600 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001392655057 997117380 /nfs/dbraw/zinc/11/73/80/997117380.db2.gz XQPDTJKGRQWUGZ-IUCAKERBSA-N -1 0 311.342 -0.600 20 0 DBADRM C[C@H](CN(C)Cc1ccnn1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001392695625 997148284 /nfs/dbraw/zinc/14/82/84/997148284.db2.gz VGJCJBBYSQAJKX-MRVPVSSYSA-N -1 0 321.341 -0.733 20 0 DBADRM CC1(C)OC[C@H](CCN2CCS(=O)(=O)C[C@H]2C(=O)[O-])O1 ZINC001593973772 997152123 /nfs/dbraw/zinc/15/21/23/997152123.db2.gz IQCFGKQMFNAMEA-UWVGGRQHSA-N -1 0 307.368 -0.288 20 0 DBADRM COc1ncc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001392705047 997156125 /nfs/dbraw/zinc/15/61/25/997156125.db2.gz IHYRHPITLGABSL-MRVPVSSYSA-N -1 0 321.341 -0.441 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cnc(C)n1C ZINC001599194583 997190448 /nfs/dbraw/zinc/19/04/48/997190448.db2.gz JMVLWNGFWBROQR-LBPRGKRZSA-N -1 0 317.367 -0.017 20 0 DBADRM COC[C@@]1(C(=O)OC)CCCN1CCC(=O)NCC(=O)[O-] ZINC001599194639 997192249 /nfs/dbraw/zinc/19/22/49/997192249.db2.gz LMRDGEXSNBHORU-CYBMUJFWSA-N -1 0 302.327 -0.769 20 0 DBADRM O=C(CC1OCCCO1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001392827746 997245068 /nfs/dbraw/zinc/24/50/68/997245068.db2.gz HRMWMFBLHWLLGK-SECBINFHSA-N -1 0 311.342 -0.646 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001392895953 997303337 /nfs/dbraw/zinc/30/33/37/997303337.db2.gz WJWDDYAAQZKHDW-MRVPVSSYSA-N -1 0 309.326 -0.798 20 0 DBADRM CCn1cc(CC(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC001392946060 997339371 /nfs/dbraw/zinc/33/93/71/997339371.db2.gz BAENTHPYCAFCLU-UHFFFAOYSA-N -1 0 319.369 -0.292 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNC(=O)C2CCC2)c1[O-] ZINC001405603942 997344507 /nfs/dbraw/zinc/34/45/07/997344507.db2.gz NWDNOSUJTGPCHE-JTQLQIEISA-N -1 0 310.354 -0.227 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@]12C[C@H]1CCC2 ZINC001392992238 997348207 /nfs/dbraw/zinc/34/82/07/997348207.db2.gz FIVHOHYPEUDKOH-ATEUNZGCSA-N -1 0 323.353 -0.500 20 0 DBADRM CC[C@H](F)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001393009203 997362196 /nfs/dbraw/zinc/36/21/96/997362196.db2.gz WEBKTBHVYCAVNB-WDSKDSINSA-N -1 0 301.278 -0.735 20 0 DBADRM CCNC(=O)CN1CC[C@@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001393097249 997408361 /nfs/dbraw/zinc/40/83/61/997408361.db2.gz MNWNXZCPTLHNNK-CQSZACIVSA-N -1 0 309.370 -0.246 20 0 DBADRM CCNC(=O)CN1CC[C@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001393097247 997409827 /nfs/dbraw/zinc/40/98/27/997409827.db2.gz MNWNXZCPTLHNNK-AWEZNQCLSA-N -1 0 309.370 -0.246 20 0 DBADRM C[C@]1(NC(=O)CCn2ccnn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393104407 997419233 /nfs/dbraw/zinc/41/92/33/997419233.db2.gz QPCIVDTWLGHWGC-ZDUSSCGKSA-N -1 0 320.357 -0.727 20 0 DBADRM CC(=O)N[C@@H](C)C[C@@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001405883136 997458295 /nfs/dbraw/zinc/45/82/95/997458295.db2.gz BZVGMOJJKFTMII-JGVFFNPUSA-N -1 0 311.342 -0.365 20 0 DBADRM CN(CCN(C)C(=O)c1ccc(=O)[nH]c1)Cc1n[nH]c(=O)[n-]1 ZINC001406161917 997542021 /nfs/dbraw/zinc/54/20/21/997542021.db2.gz BKPQTNUWBXERMI-UHFFFAOYSA-N -1 0 306.326 -0.185 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1C[C@@H]1C(F)F ZINC001393308461 997566428 /nfs/dbraw/zinc/56/64/28/997566428.db2.gz MPXYCDAOXBLJLV-BQBZGAKWSA-N -1 0 317.296 -0.926 20 0 DBADRM CC(C)[C@@H](F)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393334194 997595537 /nfs/dbraw/zinc/59/55/37/997595537.db2.gz VZQRHBWIGYZOQT-SECBINFHSA-N -1 0 301.322 -0.833 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@H]1C1CCC1 ZINC001393345025 997604540 /nfs/dbraw/zinc/60/45/40/997604540.db2.gz FGFVONKEUCBZAD-WDEREUQCSA-N -1 0 321.381 -0.391 20 0 DBADRM CC[C@H](F)C(=O)N1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001393408866 997640516 /nfs/dbraw/zinc/64/05/16/997640516.db2.gz MQECXCATLGUTLR-YUMQZZPRSA-N -1 0 315.305 -0.846 20 0 DBADRM CC[C@@H](F)C(=O)N1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001393408861 997640559 /nfs/dbraw/zinc/64/05/59/997640559.db2.gz MQECXCATLGUTLR-HTQZYQBOSA-N -1 0 315.305 -0.846 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)CC2(N(C)C)CC2)[C@H](C(=O)[O-])C1 ZINC001599122894 997774261 /nfs/dbraw/zinc/77/42/61/997774261.db2.gz IBXZWMXKLXRGFD-QWRGUYRKSA-N -1 0 320.411 -0.026 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@@H]1CCN(C)C1=O ZINC001406626014 997839413 /nfs/dbraw/zinc/83/94/13/997839413.db2.gz MXIVWWZRVNWRHO-UWVGGRQHSA-N -1 0 324.385 -0.685 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NCc2nnn(C)n2)c1[O-] ZINC001393798135 997849468 /nfs/dbraw/zinc/84/94/68/997849468.db2.gz FWFQLTCIGXMGPZ-ZETCQYMHSA-N -1 0 308.346 -0.755 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cccn(C)c1=O ZINC001406701608 997856831 /nfs/dbraw/zinc/85/68/31/997856831.db2.gz ULHITIKUYWRQJC-VIFPVBQESA-N -1 0 320.353 -0.541 20 0 DBADRM Cc1ncoc1CN(C)C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001406692971 997857886 /nfs/dbraw/zinc/85/78/86/997857886.db2.gz MLNSXCZMHFYENA-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NCc2nnn(C)n2)c1[O-] ZINC001393938064 997894806 /nfs/dbraw/zinc/89/48/06/997894806.db2.gz VGSKNMBZBUSEEI-BQBZGAKWSA-N -1 0 308.346 -0.756 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)[C@H](O)C(C)C)C2)c1[O-] ZINC001394002783 997922922 /nfs/dbraw/zinc/92/29/22/997922922.db2.gz UVYGWONRXGITSQ-LLVKDONJSA-N -1 0 310.354 -0.277 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)Cc2nnn(C)n2)c1[O-] ZINC001394058946 997952004 /nfs/dbraw/zinc/95/20/04/997952004.db2.gz QWWADAGVBDXPQF-SSDOTTSWSA-N -1 0 308.346 -0.802 20 0 DBADRM COCCN(CCF)C(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001599236613 997956947 /nfs/dbraw/zinc/95/69/47/997956947.db2.gz NCEOBCSRDANMGL-JTQLQIEISA-N -1 0 302.302 -0.280 20 0 DBADRM CCn1ccc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001406982936 997966229 /nfs/dbraw/zinc/96/62/29/997966229.db2.gz XILMGVGRMGPITI-UHFFFAOYSA-N -1 0 305.342 -0.221 20 0 DBADRM COCc1nocc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001406983568 997966511 /nfs/dbraw/zinc/96/65/11/997966511.db2.gz AMMCJXJBGLBQCX-UHFFFAOYSA-N -1 0 322.325 -0.303 20 0 DBADRM C[C@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)N(C)CCF ZINC001394091133 997971488 /nfs/dbraw/zinc/97/14/88/997971488.db2.gz RWIGJNJNZMVBTD-MRVPVSSYSA-N -1 0 301.322 -0.379 20 0 DBADRM COCCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ncccn1 ZINC001599237595 997973482 /nfs/dbraw/zinc/97/34/82/997973482.db2.gz AGZBYYRFNYXDQY-QWRGUYRKSA-N -1 0 308.338 -0.234 20 0 DBADRM CCNC(=O)CCC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407041055 997987094 /nfs/dbraw/zinc/98/70/94/997987094.db2.gz RGZXBNDMIZEBRF-UHFFFAOYSA-N -1 0 310.358 -0.931 20 0 DBADRM CCOCCNC(=O)CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001596929505 1017180836 /nfs/dbraw/zinc/18/08/36/1017180836.db2.gz KQAVHSCLYQJLQA-ZDUSSCGKSA-N -1 0 315.326 -0.686 20 0 DBADRM COCCN(Cc1ccnn1C)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001599239569 998011818 /nfs/dbraw/zinc/01/18/18/998011818.db2.gz FVSYGYHDJJBPDX-UHFFFAOYSA-N -1 0 321.337 -0.010 20 0 DBADRM C[C@]1(NC(=O)Cc2cc[nH]n2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407216287 998071667 /nfs/dbraw/zinc/07/16/67/998071667.db2.gz XUGFXPVMRZJYHS-ZDUSSCGKSA-N -1 0 305.342 -0.443 20 0 DBADRM COCC1(C(=O)NC[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CC1 ZINC001394331425 998097124 /nfs/dbraw/zinc/09/71/24/998097124.db2.gz XHJRFFZRUZCYIG-RTCCRHLQSA-N -1 0 321.381 -0.269 20 0 DBADRM O=C(NC[C@@]1(O)CCN(CCF)C1)c1c[n-]n2c1nccc2=O ZINC001407375304 998144103 /nfs/dbraw/zinc/14/41/03/998144103.db2.gz QPZYUOGGNJYEFR-AWEZNQCLSA-N -1 0 323.328 -0.841 20 0 DBADRM Cc1cc(CN2CC(O)(CNC(=O)c3[nH]nc(C)c3[O-])C2)no1 ZINC001407415234 998185247 /nfs/dbraw/zinc/18/52/47/998185247.db2.gz YPWZCIVLLZVPNA-UHFFFAOYSA-N -1 0 321.337 -0.303 20 0 DBADRM Cc1ccsc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001394564986 998198179 /nfs/dbraw/zinc/19/81/79/998198179.db2.gz QDHLXKWXQBHPLL-MRVPVSSYSA-N -1 0 311.367 -0.239 20 0 DBADRM CCON(CC)C(=O)CNS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001596964115 1017182935 /nfs/dbraw/zinc/18/29/35/1017182935.db2.gz RSTJFQFVUPNBKJ-UHFFFAOYSA-N -1 0 308.356 -0.429 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(C)(C)O)c1[O-] ZINC001408009783 998453100 /nfs/dbraw/zinc/45/31/00/998453100.db2.gz FUQXYTNSIGFNTG-JZYVYDRUSA-N -1 0 322.365 -0.229 20 0 DBADRM CS[C@H](C)C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001394768607 998473639 /nfs/dbraw/zinc/47/36/39/998473639.db2.gz OGSZXEWLCCHWKX-RKDXNWHRSA-N -1 0 317.415 -0.487 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@H]2CCC(=O)N2C)c1[O-] ZINC001408120631 998508557 /nfs/dbraw/zinc/50/85/57/998508557.db2.gz PQLDXTYJUXTIHK-IONNQARKSA-N -1 0 323.353 -0.721 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)C[C@@H]2CCNC2=O)c1[O-] ZINC001408130197 998513505 /nfs/dbraw/zinc/51/35/05/998513505.db2.gz ZYOTUQUGSFXBRB-CBAPKCEASA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)CC2(O)CCC2)c1[O-] ZINC001408144571 998523769 /nfs/dbraw/zinc/52/37/69/998523769.db2.gz SYGFBYOVSKAGOH-MRVPVSSYSA-N -1 0 310.354 -0.037 20 0 DBADRM Cc1ccnn1CC(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001408159037 998529488 /nfs/dbraw/zinc/52/94/88/998529488.db2.gz PUNCEBHCWQKCQY-MRVPVSSYSA-N -1 0 320.353 -0.137 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CCC1(C)C ZINC001408262882 998578165 /nfs/dbraw/zinc/57/81/65/998578165.db2.gz RPABUAPLECLBLB-SFYZADRCSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CCC1(C)C ZINC001408262870 998578478 /nfs/dbraw/zinc/57/84/78/998578478.db2.gz RPABUAPLECLBLB-HTQZYQBOSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC2(CC2)C1 ZINC001408265150 998580505 /nfs/dbraw/zinc/58/05/05/998580505.db2.gz WRHDGFBHMSVBIF-SSDOTTSWSA-N -1 0 321.337 -0.293 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)Cc2cc[nH]n2)c1[O-] ZINC001395062278 998591120 /nfs/dbraw/zinc/59/11/20/998591120.db2.gz GFCHPMYMFGESJX-MRVPVSSYSA-N -1 0 320.353 -0.034 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CC1(C)C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001395068612 998593087 /nfs/dbraw/zinc/59/30/87/998593087.db2.gz SWTGYHPUOQSYSN-JGVFFNPUSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)[C@H]1CC1(C)C ZINC001395144834 998618433 /nfs/dbraw/zinc/61/84/33/998618433.db2.gz RKONKWGSQXNFNG-HTQZYQBOSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H](CCNC(=O)C1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001408436382 998626740 /nfs/dbraw/zinc/62/67/40/998626740.db2.gz OQGNAXJUAOWXJT-MRVPVSSYSA-N -1 0 308.338 -0.480 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1ccco1 ZINC001395629145 998697620 /nfs/dbraw/zinc/69/76/20/998697620.db2.gz KGSNFFNPHNKUEB-QMMMGPOBSA-N -1 0 323.309 -0.441 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1(C)CC1 ZINC001395631136 998697677 /nfs/dbraw/zinc/69/76/77/998697677.db2.gz QEJRQAVNOBAYSA-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1ccco1 ZINC001395629144 998697788 /nfs/dbraw/zinc/69/77/88/998697788.db2.gz KGSNFFNPHNKUEB-MRVPVSSYSA-N -1 0 323.309 -0.441 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2C[C@H]2C2CC2)c1[O-] ZINC001395731020 998747224 /nfs/dbraw/zinc/74/72/24/998747224.db2.gz UMGFYBUXVAPNGI-GARJFASQSA-N -1 0 322.365 -0.323 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001395831831 998791073 /nfs/dbraw/zinc/79/10/73/998791073.db2.gz UIEMIARHNQBZET-WCBMZHEXSA-N -1 0 311.342 -0.405 20 0 DBADRM CO[C@@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001396000306 998814352 /nfs/dbraw/zinc/81/43/52/998814352.db2.gz LOMGQIWVVXLPLP-IUCAKERBSA-N -1 0 314.342 -0.992 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001396002292 998815374 /nfs/dbraw/zinc/81/53/74/998815374.db2.gz TWXOVQWDDXXSNP-RKDXNWHRSA-N -1 0 316.333 -0.279 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN(C)C(=O)C2(C)CC2)c1[O-] ZINC001396015416 998818775 /nfs/dbraw/zinc/81/87/75/998818775.db2.gz MWOJYLMYHQDTDS-SECBINFHSA-N -1 0 310.354 -0.227 20 0 DBADRM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001396903690 998918910 /nfs/dbraw/zinc/91/89/10/998918910.db2.gz RSHZSCYFFRWJQN-JTQLQIEISA-N -1 0 323.353 -0.767 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)Cc2cnn(C)c2)c1[O-] ZINC001397387971 999029634 /nfs/dbraw/zinc/02/96/34/999029634.db2.gz BNMLABVVPLBPNX-QMMMGPOBSA-N -1 0 320.353 -0.366 20 0 DBADRM CCC(C)(C)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397529472 999072432 /nfs/dbraw/zinc/07/24/32/999072432.db2.gz YUPMHZJZJMTNTN-SSDOTTSWSA-N -1 0 311.342 -0.047 20 0 DBADRM CCO[C@@H](CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC001494461402 1016278495 /nfs/dbraw/zinc/27/84/95/1016278495.db2.gz BUPRPJGICJQHRC-BSJXLVFVSA-N -1 0 307.354 -0.194 20 0 DBADRM CN(C[C@@H]1CCN1C/C=C/Cl)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397558367 999080713 /nfs/dbraw/zinc/08/07/13/999080713.db2.gz BENUTJMPRKFVCF-LXOKAJLYSA-N -1 0 315.761 -0.026 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC12CC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397629202 999098069 /nfs/dbraw/zinc/09/80/69/999098069.db2.gz KHBHTLWZGBAAGW-RNFRBKRXSA-N -1 0 307.310 -0.683 20 0 DBADRM CN(CCNC(=O)[C@H]1CC12CCC2)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397916583 999170690 /nfs/dbraw/zinc/17/06/90/999170690.db2.gz ULEJKTNHPFHDOU-MRVPVSSYSA-N -1 0 321.337 -0.339 20 0 DBADRM Cc1ccnn1CC(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001397923338 999173923 /nfs/dbraw/zinc/17/39/23/999173923.db2.gz YRQMAYGGVWXTBP-UHFFFAOYSA-N -1 0 320.353 -0.183 20 0 DBADRM CN(C)C(=O)CCCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001494482746 1016289524 /nfs/dbraw/zinc/28/95/24/1016289524.db2.gz ASSYOUKSNXBUIF-UHFFFAOYSA-N -1 0 310.358 -0.931 20 0 DBADRM CN(CCNC(=O)[C@H]1CCC1(C)C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001398002074 999193427 /nfs/dbraw/zinc/19/34/27/999193427.db2.gz NDBCGGOPSCOUFV-MRVPVSSYSA-N -1 0 323.353 -0.093 20 0 DBADRM CCCC(=O)N(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001398351130 999255900 /nfs/dbraw/zinc/25/59/00/999255900.db2.gz KCIMTUCORATJTL-UHFFFAOYSA-N -1 0 309.326 -0.196 20 0 DBADRM COCC(=O)NC1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001398549123 999295430 /nfs/dbraw/zinc/29/54/30/999295430.db2.gz XVYXWYYYDWJPDV-UHFFFAOYSA-N -1 0 306.278 -0.485 20 0 DBADRM CCOCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-] ZINC001398828242 999363423 /nfs/dbraw/zinc/36/34/23/999363423.db2.gz RFKPEAXNYFWMNA-UWVGGRQHSA-N -1 0 308.338 -0.114 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001399064418 999403856 /nfs/dbraw/zinc/40/38/56/999403856.db2.gz YHKJGEJCMLDCLD-CIUDSAMLSA-N -1 0 311.342 -0.644 20 0 DBADRM CN(CCNC(=O)c1cn(C)nc1C1CC1)Cc1n[nH]c(=O)[n-]1 ZINC001399480750 999434312 /nfs/dbraw/zinc/43/43/12/999434312.db2.gz FNJZWPHAFFQANK-UHFFFAOYSA-N -1 0 319.369 -0.017 20 0 DBADRM Cc1cc(CN(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001399648209 999457260 /nfs/dbraw/zinc/45/72/60/999457260.db2.gz MLHWNJXZQNLGAP-UHFFFAOYSA-N -1 0 321.341 -0.964 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ccccn1 ZINC001399650461 999457641 /nfs/dbraw/zinc/45/76/41/999457641.db2.gz UIKWGWSZKMLJNL-UHFFFAOYSA-N -1 0 306.326 -0.668 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001399654467 999458290 /nfs/dbraw/zinc/45/82/90/999458290.db2.gz IMKDBWPCYPLIOT-HTQZYQBOSA-N -1 0 309.326 -0.531 20 0 DBADRM Cc1nc(C)c(CN(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001399651374 999458868 /nfs/dbraw/zinc/45/88/68/999458868.db2.gz WUFUXKPCJOWESD-UHFFFAOYSA-N -1 0 324.341 -0.458 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])CC(=O)NC1CC1 ZINC001399695988 999466812 /nfs/dbraw/zinc/46/68/12/999466812.db2.gz JLPYFLAWRYFIMF-UHFFFAOYSA-N -1 0 309.370 -0.246 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)c2ccccc2)c1[O-] ZINC001399775762 999479713 /nfs/dbraw/zinc/47/97/13/999479713.db2.gz UKBBCPGRJDIFGG-LLVKDONJSA-N -1 0 318.333 -0.056 20 0 DBADRM CCN(CCNC(=O)c1conc1COC)Cc1n[nH]c(=O)[n-]1 ZINC001399803472 999488650 /nfs/dbraw/zinc/48/86/50/999488650.db2.gz VPGBHAWQIVDJIX-UHFFFAOYSA-N -1 0 324.341 -0.103 20 0 DBADRM O=C(Cc1ncc[nH]1)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001399870118 999510335 /nfs/dbraw/zinc/51/03/35/999510335.db2.gz GVNAGYMLJUYYEJ-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM CC[C@H](C)C(=O)N[C@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001399913924 999522576 /nfs/dbraw/zinc/52/25/76/999522576.db2.gz PEAQTQKJHBDCLM-DTWKUNHWSA-N -1 0 310.354 -0.234 20 0 DBADRM CCC[C@@H](C)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001399928432 999525670 /nfs/dbraw/zinc/52/56/70/999525670.db2.gz VXQPGSJQYSVWPQ-HTQZYQBOSA-N -1 0 311.342 -0.047 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@H]2CCCC(=O)N2)c1[O-] ZINC001400175750 999576414 /nfs/dbraw/zinc/57/64/14/999576414.db2.gz VWDUYFSZTPJINP-IONNQARKSA-N -1 0 323.353 -0.673 20 0 DBADRM C[C@H](Cc1c[nH]cn1)C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001494603124 1016339384 /nfs/dbraw/zinc/33/93/84/1016339384.db2.gz MGZAOXGAQDQPBJ-SECBINFHSA-N -1 0 319.369 -0.340 20 0 DBADRM CCS(=O)(=O)CCN1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001597209561 1017189132 /nfs/dbraw/zinc/18/91/32/1017189132.db2.gz KXBJXFZNOVCYSQ-RKDXNWHRSA-N -1 0 318.351 -0.452 20 0 DBADRM CCS(=O)(=O)CCCCCN1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001597209411 1017189140 /nfs/dbraw/zinc/18/91/40/1017189140.db2.gz CHLWPKCKWMPSRP-NSHDSACASA-N -1 0 320.411 -0.181 20 0 DBADRM CCS(=O)(=O)CCN1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001597209828 1017189429 /nfs/dbraw/zinc/18/94/29/1017189429.db2.gz OHHGBCOWMBKDSP-NXEZZACHSA-N -1 0 307.368 -0.241 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1 ZINC001597204366 1017189513 /nfs/dbraw/zinc/18/95/13/1017189513.db2.gz VMHCTLBXFZBRQO-SECBINFHSA-N -1 0 302.352 -0.012 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)NC[C@H](F)C(=O)[O-] ZINC001597215891 1017189568 /nfs/dbraw/zinc/18/95/68/1017189568.db2.gz OEHSQEBAEQQQKB-QMMMGPOBSA-N -1 0 313.351 -0.620 20 0 DBADRM CCS(=O)(=O)CC(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1 ZINC001597207746 1017189605 /nfs/dbraw/zinc/18/96/05/1017189605.db2.gz LLGYXWWPKNCCSD-ZETCQYMHSA-N -1 0 305.312 -0.598 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001597224313 1017191607 /nfs/dbraw/zinc/19/16/07/1017191607.db2.gz RGZTWKZXLNIQCO-ILAIQSSSSA-N -1 0 318.395 -0.070 20 0 DBADRM CCS(=O)(=O)NCC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001597224753 1017191706 /nfs/dbraw/zinc/19/17/06/1017191706.db2.gz FWAFZWOEVINUKG-UHFFFAOYSA-N -1 0 319.339 -0.337 20 0 DBADRM CNC(=O)CCCCC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001494635861 1016356839 /nfs/dbraw/zinc/35/68/39/1016356839.db2.gz MTDCTONHBHHUDS-UHFFFAOYSA-N -1 0 324.385 -0.635 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001597224318 1017190960 /nfs/dbraw/zinc/19/09/60/1017190960.db2.gz RIPWKXIATJXBKZ-DTWKUNHWSA-N -1 0 308.356 -0.984 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001597224813 1017192987 /nfs/dbraw/zinc/19/29/87/1017192987.db2.gz HBOUNBMSVRIJCX-SECBINFHSA-N -1 0 306.365 -0.071 20 0 DBADRM CCS(=O)(=O)NCC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001597225081 1017193519 /nfs/dbraw/zinc/19/35/19/1017193519.db2.gz KTZKSAPYZRUGGA-UHFFFAOYSA-N -1 0 314.363 -0.131 20 0 DBADRM CC[S@@](=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001597248814 1017193722 /nfs/dbraw/zinc/19/37/22/1017193722.db2.gz DDVSNHBKIQXEDP-OAQYLSRUSA-N -1 0 315.351 -0.453 20 0 DBADRM CN(C)c1ccnc(NCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001591033736 1016376988 /nfs/dbraw/zinc/37/69/88/1016376988.db2.gz LXOBPWXHDXZTAN-UHFFFAOYSA-N -1 0 301.318 -0.574 20 0 DBADRM CC(C)[C@H]1C(=O)NCCN1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001591067820 1016379328 /nfs/dbraw/zinc/37/93/28/1016379328.db2.gz MIGWBOCMFOBBGQ-JTQLQIEISA-N -1 0 324.341 -0.858 20 0 DBADRM CC(C)C1(O)CN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001591067515 1016381101 /nfs/dbraw/zinc/38/11/01/1016381101.db2.gz BLNRHAZOHHFIBE-IUCAKERBSA-N -1 0 301.343 -0.624 20 0 DBADRM CN(CC1CCC1)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001591054261 1016382536 /nfs/dbraw/zinc/38/25/36/1016382536.db2.gz CBSOFIXQXCHKRN-UHFFFAOYSA-N -1 0 319.325 -0.613 20 0 DBADRM CN(CC1CCCC1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591054435 1016383001 /nfs/dbraw/zinc/38/30/01/1016383001.db2.gz GKGYKNFXHYEUNJ-UHFFFAOYSA-N -1 0 305.342 -0.120 20 0 DBADRM CCc1cnc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])s1 ZINC001597631807 1017201041 /nfs/dbraw/zinc/20/10/41/1017201041.db2.gz HASMBHREUJYVRS-ZCFIWIBFSA-N -1 0 301.324 -0.404 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)/C=C/C1CC1 ZINC001591106023 1016386862 /nfs/dbraw/zinc/38/68/62/1016386862.db2.gz JMBQFLDTXRUJKX-SNAWJCMRSA-N -1 0 314.353 -0.085 20 0 DBADRM CC(C)C[C@H](C(N)=O)C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001591124446 1016390784 /nfs/dbraw/zinc/39/07/84/1016390784.db2.gz RSLPZGQEPVZQAO-NXEZZACHSA-N -1 0 314.338 -0.247 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2cncnc2)c1[O-] ZINC001408549814 1000220114 /nfs/dbraw/zinc/22/01/14/1000220114.db2.gz WARKEYDKKUCDGD-UHFFFAOYSA-N -1 0 304.310 -0.284 20 0 DBADRM CN(Cc1ccon1)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591150023 1016394984 /nfs/dbraw/zinc/39/49/84/1016394984.db2.gz HXDXNVIWZIKLPE-UHFFFAOYSA-N -1 0 318.301 -0.712 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)NCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001408567845 1000229161 /nfs/dbraw/zinc/22/91/61/1000229161.db2.gz JPYKRJSGBZRIAA-BDAKNGLRSA-N -1 0 323.353 -0.093 20 0 DBADRM CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCc1nnn[n-]1 ZINC001591132013 1016397505 /nfs/dbraw/zinc/39/75/05/1016397505.db2.gz DSJVDBDJFOLECB-UHFFFAOYSA-N -1 0 313.325 -0.029 20 0 DBADRM CC(C)[C@H](C)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001408639856 1000255336 /nfs/dbraw/zinc/25/53/36/1000255336.db2.gz WXDGARSVNJSDFQ-QMMMGPOBSA-N -1 0 311.342 -0.237 20 0 DBADRM CC(C)[C@@H](C)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001408639855 1000255617 /nfs/dbraw/zinc/25/56/17/1000255617.db2.gz WXDGARSVNJSDFQ-MRVPVSSYSA-N -1 0 311.342 -0.237 20 0 DBADRM CN1CC[C@@H](CC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)C1=O ZINC001420856674 1000268849 /nfs/dbraw/zinc/26/88/49/1000268849.db2.gz PGTVAZABYRTOHM-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM CN1CC[C@H](CC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)C1=O ZINC001420856676 1000268958 /nfs/dbraw/zinc/26/89/58/1000268958.db2.gz PGTVAZABYRTOHM-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CO[C@@]1(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CCSC1 ZINC001420865512 1000273568 /nfs/dbraw/zinc/27/35/68/1000273568.db2.gz AQLTVWAPEDLQQF-VIFPVBQESA-N -1 0 306.369 -0.331 20 0 DBADRM C[C@@]1(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CCNC(=O)C1 ZINC001420880011 1000277846 /nfs/dbraw/zinc/27/78/46/1000277846.db2.gz YDJPJMBCJSLGIK-SNVBAGLBSA-N -1 0 301.328 -0.937 20 0 DBADRM CN1C(=O)CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CC1=O ZINC001591165034 1016400138 /nfs/dbraw/zinc/40/01/38/1016400138.db2.gz CWLXJYAFQVNJCM-UHFFFAOYSA-N -1 0 316.277 -0.987 20 0 DBADRM CN1C[C@@H](C(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)NC1=O ZINC001591167018 1016400371 /nfs/dbraw/zinc/40/03/71/1016400371.db2.gz IIZQBEXFRGHYJQ-VIFPVBQESA-N -1 0 303.282 -0.700 20 0 DBADRM CCN(CCNC(=O)c1cn(C)nn1)C(=O)c1n[nH]c(C)c1[O-] ZINC001408739181 1000287879 /nfs/dbraw/zinc/28/78/79/1000287879.db2.gz SAVPFLHCDHATAW-UHFFFAOYSA-N -1 0 321.341 -0.556 20 0 DBADRM CCc1nc(CN2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)no1 ZINC001597666937 1017203845 /nfs/dbraw/zinc/20/38/45/1017203845.db2.gz FJTBGFNWCQDGPH-VHSXEESVSA-N -1 0 308.338 -0.099 20 0 DBADRM CCC(=O)N1CCC[C@@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001408833508 1000306906 /nfs/dbraw/zinc/30/69/06/1000306906.db2.gz LOSQOOGGWXQZEZ-SECBINFHSA-N -1 0 323.353 -0.267 20 0 DBADRM COC(=O)c1c(NC(=O)c2nn(C)cc2C)n[n-]c1OCCO ZINC001420985722 1000322544 /nfs/dbraw/zinc/32/25/44/1000322544.db2.gz DFBPLRGCFWVVPT-UHFFFAOYSA-N -1 0 323.309 -0.138 20 0 DBADRM CCC(CC)C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001409029694 1000332978 /nfs/dbraw/zinc/33/29/78/1000332978.db2.gz IWFYJDAEKTWOSH-UHFFFAOYSA-N -1 0 309.326 -0.340 20 0 DBADRM CN1CC[C@@H](Cn2c3c(cc(-c4nnn[n-]4)c2=O)CCC3)C1=O ZINC001591179840 1016410015 /nfs/dbraw/zinc/41/00/15/1016410015.db2.gz ZCWWOIVJCQNVCR-JTQLQIEISA-N -1 0 314.349 -0.005 20 0 DBADRM CN1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CC1=O ZINC001591170963 1016405789 /nfs/dbraw/zinc/40/57/89/1016405789.db2.gz MJKPAFWVZRSJOO-QMMMGPOBSA-N -1 0 302.294 -0.467 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421081099 1000356051 /nfs/dbraw/zinc/35/60/51/1000356051.db2.gz XGKOXMYPCSVCPX-QMMMGPOBSA-N -1 0 324.385 -0.639 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421081096 1000356887 /nfs/dbraw/zinc/35/68/87/1000356887.db2.gz XGKOXMYPCSVCPX-MRVPVSSYSA-N -1 0 324.385 -0.639 20 0 DBADRM CCC[C@H](C)C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001409130972 1000376202 /nfs/dbraw/zinc/37/62/02/1000376202.db2.gz YZMRBRJLITYSHG-QMMMGPOBSA-N -1 0 323.353 -0.093 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421196610 1000403245 /nfs/dbraw/zinc/40/32/45/1000403245.db2.gz UHDYFVJOGJVKHX-ZDUSSCGKSA-N -1 0 310.358 -0.931 20 0 DBADRM CN1CC[C@H](Cn2c3c(cc(-c4nnn[n-]4)c2=O)CCC3)C1=O ZINC001591179843 1016410885 /nfs/dbraw/zinc/41/08/85/1016410885.db2.gz ZCWWOIVJCQNVCR-SNVBAGLBSA-N -1 0 314.349 -0.005 20 0 DBADRM CCNC(=O)CCC(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421311934 1000438537 /nfs/dbraw/zinc/43/85/37/1000438537.db2.gz VXRMGJIJJUHTJG-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM CCC(=O)N[C@@H](CC)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001409364206 1000438662 /nfs/dbraw/zinc/43/86/62/1000438662.db2.gz APHWSHOTYISDMB-VIFPVBQESA-N -1 0 320.353 -0.508 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cncs1 ZINC001421335513 1000447554 /nfs/dbraw/zinc/44/75/54/1000447554.db2.gz FIXJFUSOLAEMFU-LBPRGKRZSA-N -1 0 324.366 -0.666 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@H](CC)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001409400614 1000449262 /nfs/dbraw/zinc/44/92/62/1000449262.db2.gz QBAHNBBYDNONHJ-JGVFFNPUSA-N -1 0 317.321 -0.552 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1CC12CC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001409420146 1000453995 /nfs/dbraw/zinc/45/39/95/1000453995.db2.gz MTNUQFWOHYUGGU-RKDXNWHRSA-N -1 0 323.353 -0.500 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(CCF)C1 ZINC001421347671 1000456397 /nfs/dbraw/zinc/45/63/97/1000456397.db2.gz FAPIDMASVZTJDL-SECBINFHSA-N -1 0 301.322 -0.418 20 0 DBADRM CC(C)C[C@H](O)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001591183076 1016414121 /nfs/dbraw/zinc/41/41/21/1016414121.db2.gz DOWZMJFXQOFZPT-QWRGUYRKSA-N -1 0 300.355 -0.167 20 0 DBADRM CCN(C(=O)[C@@H](C)NC(C)=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421355603 1000460721 /nfs/dbraw/zinc/46/07/21/1000460721.db2.gz QMHSXEOJFSOFIG-MWLCHTKSSA-N -1 0 324.385 -0.542 20 0 DBADRM Cc1nn(C)cc1CC(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001409568620 1000475144 /nfs/dbraw/zinc/47/51/44/1000475144.db2.gz QUEUSHMMUZDQGP-SECBINFHSA-N -1 0 321.385 -0.269 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1nccs1 ZINC001409589350 1000479575 /nfs/dbraw/zinc/47/95/75/1000479575.db2.gz ASEINVWUWZUKQF-ZETCQYMHSA-N -1 0 324.366 -0.010 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001409625831 1000487993 /nfs/dbraw/zinc/48/79/93/1000487993.db2.gz PNKIWQVFJDEVQH-QMMMGPOBSA-N -1 0 312.374 -0.639 20 0 DBADRM C[C@@H](CNC(=O)c1n[n-]c2ccccc2c1=O)N(C)CC(N)=O ZINC001409626894 1000489992 /nfs/dbraw/zinc/48/99/92/1000489992.db2.gz OBZZBONBHRVDCX-VIFPVBQESA-N -1 0 317.349 -0.129 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)c1cccs1 ZINC001409686689 1000506964 /nfs/dbraw/zinc/50/69/64/1000506964.db2.gz CIDAHWHVNYDHFD-UHFFFAOYSA-N -1 0 323.378 -0.061 20 0 DBADRM CC[C@@H](CNC(=O)Cc1cnoc1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001421456641 1000516759 /nfs/dbraw/zinc/51/67/59/1000516759.db2.gz SFPQLKUYSUFZFO-JTQLQIEISA-N -1 0 308.342 -0.677 20 0 DBADRM CN1CN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)CC1=O ZINC001591195412 1016416956 /nfs/dbraw/zinc/41/69/56/1016416956.db2.gz IBMWHNDFTUZUGO-UHFFFAOYSA-N -1 0 314.352 -0.652 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001591199545 1016422863 /nfs/dbraw/zinc/42/28/63/1016422863.db2.gz OSVMQIJBIYVHFT-RXMQYKEDSA-N -1 0 316.368 -0.659 20 0 DBADRM CNC(=O)[C@H](CO)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001591199289 1016423845 /nfs/dbraw/zinc/42/38/45/1016423845.db2.gz JBUMERMITJDXAZ-VKHMYHEASA-N -1 0 303.735 -0.505 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NCc3nncn3C)CCC2)c1[O-] ZINC001421736483 1000607114 /nfs/dbraw/zinc/60/71/14/1000607114.db2.gz IUWCTSHXJPFTKN-UHFFFAOYSA-N -1 0 319.369 -0.005 20 0 DBADRM CCc1nncn1CCNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001597741414 1017205049 /nfs/dbraw/zinc/20/50/49/1017205049.db2.gz GHVXXLMBBKXLHU-UHFFFAOYSA-N -1 0 302.356 -0.233 20 0 DBADRM CC(C)C[C@H]1C(=O)NCCN1S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001591205527 1016427246 /nfs/dbraw/zinc/42/72/46/1016427246.db2.gz JLAWNXVGSOMPPB-ZJUUUORDSA-N -1 0 306.384 -0.117 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2ccncn2)c1[O-] ZINC001410456977 1000775325 /nfs/dbraw/zinc/77/53/25/1000775325.db2.gz USLZXHLAPQVLCJ-ZETCQYMHSA-N -1 0 304.310 -0.238 20 0 DBADRM CNS(=O)(=O)CCCOC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591220386 1016441607 /nfs/dbraw/zinc/44/16/07/1016441607.db2.gz PGIVOLVBSLISEU-UHFFFAOYSA-N -1 0 315.311 -0.444 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)[C@@H]3CCOC3)CC2)c1[O-] ZINC001410707868 1000869113 /nfs/dbraw/zinc/86/91/13/1000869113.db2.gz LIDHXZMNGWKJKP-SECBINFHSA-N -1 0 308.338 -0.161 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)Cc2cnnn2C)c1[O-] ZINC001422502737 1000887680 /nfs/dbraw/zinc/88/76/80/1000887680.db2.gz SHGLBFNOKKBFLT-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM CCn1ccnc1C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422502897 1000888174 /nfs/dbraw/zinc/88/81/74/1000888174.db2.gz PSOBTLHFOJMHNF-SECBINFHSA-N -1 0 307.358 -0.023 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001410822726 1000923853 /nfs/dbraw/zinc/92/38/53/1000923853.db2.gz ZAIVWQNGYDOIHX-RKDXNWHRSA-N -1 0 323.353 -0.500 20 0 DBADRM CC(C)CCOCCNC(=O)CN1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC001591256089 1016454533 /nfs/dbraw/zinc/45/45/33/1016454533.db2.gz CLZTUXSKASQEPY-NWDGAFQWSA-N -1 0 302.371 -0.315 20 0 DBADRM C[C@H](NC(=O)[C@@]1(C)CCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001422741895 1000992462 /nfs/dbraw/zinc/99/24/62/1000992462.db2.gz CPNGVSMZCNLRPW-XPTSAGLGSA-N -1 0 309.370 -0.127 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001422817720 1001022120 /nfs/dbraw/zinc/02/21/20/1001022120.db2.gz DTQMZVLWFZPEBD-ZJUUUORDSA-N -1 0 324.385 -0.637 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)c1ccc[nH]1 ZINC001411153917 1001045261 /nfs/dbraw/zinc/04/52/61/1001045261.db2.gz ASLFUCLPQSXKAI-VIFPVBQESA-N -1 0 308.342 -0.597 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)[C@H]1CC1(C)C ZINC001411166971 1001055182 /nfs/dbraw/zinc/05/51/82/1001055182.db2.gz XPTDZHXVJWIPTK-VHSXEESVSA-N -1 0 311.386 -0.193 20 0 DBADRM C[C@H](CN(C)[C@H](C)C(N)=O)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001422916099 1001061769 /nfs/dbraw/zinc/06/17/69/1001061769.db2.gz VGYQTELCSSJUSK-HTQZYQBOSA-N -1 0 321.337 -0.148 20 0 DBADRM COCCN(CCNC(=O)C(C)(C)F)Cc1n[nH]c(=O)[n-]1 ZINC001411216192 1001077840 /nfs/dbraw/zinc/07/78/40/1001077840.db2.gz MUUCMSYDZYQPRH-UHFFFAOYSA-N -1 0 303.338 -0.177 20 0 DBADRM CC(C)CN(C(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-])C1CC1 ZINC001591281607 1016465608 /nfs/dbraw/zinc/46/56/08/1016465608.db2.gz UTZNSAFSUPFUBS-LBPRGKRZSA-N -1 0 311.382 -0.092 20 0 DBADRM COC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591277734 1016467486 /nfs/dbraw/zinc/46/74/86/1016467486.db2.gz UTAMGBFCQSLHGC-SFYZADRCSA-N -1 0 320.313 -0.817 20 0 DBADRM CCn1ccc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001411446254 1001127491 /nfs/dbraw/zinc/12/74/91/1001127491.db2.gz YZAKZXXGLVIRHG-UHFFFAOYSA-N -1 0 301.310 -0.396 20 0 DBADRM C[C@H](CNC(=O)C(C)(F)F)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001411474798 1001132497 /nfs/dbraw/zinc/13/24/97/1001132497.db2.gz HYUONBCWYPYQMA-ZCFIWIBFSA-N -1 0 321.284 -0.692 20 0 DBADRM CN(C(=O)CN1CCCC2(CC2)S1(=O)=O)c1nnn[n-]1 ZINC001411476581 1001132692 /nfs/dbraw/zinc/13/26/92/1001132692.db2.gz HFLLSPAQYUBOSY-UHFFFAOYSA-N -1 0 300.344 -0.879 20 0 DBADRM C[C@@H](CNC(=O)C(C)(F)F)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001411474794 1001133016 /nfs/dbraw/zinc/13/30/16/1001133016.db2.gz HYUONBCWYPYQMA-LURJTMIESA-N -1 0 321.284 -0.692 20 0 DBADRM COC(C)(C)[C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591317410 1016474365 /nfs/dbraw/zinc/47/43/65/1016474365.db2.gz ZVFUYLBAGMGSQD-LURJTMIESA-N -1 0 309.330 -0.109 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001423213235 1001177103 /nfs/dbraw/zinc/17/71/03/1001177103.db2.gz VRTAXARKAXOVRN-MRVPVSSYSA-N -1 0 310.358 -0.837 20 0 DBADRM O=C(C[C@H]1CCC(=O)NC1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001423218987 1001181756 /nfs/dbraw/zinc/18/17/56/1001181756.db2.gz VKTFSQABDGKERP-SECBINFHSA-N -1 0 322.369 -0.835 20 0 DBADRM NS(=O)(=O)c1cccc(CNC(=O)c2c[n-]ncc2=O)c1 ZINC001411640132 1001186324 /nfs/dbraw/zinc/18/63/24/1001186324.db2.gz FHNVGHULQOSNKH-UHFFFAOYSA-N -1 0 308.319 -0.240 20 0 DBADRM Cc1cnc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)cc1C ZINC001423249388 1001206059 /nfs/dbraw/zinc/20/60/59/1001206059.db2.gz XPDIDAXELXZXKW-JTQLQIEISA-N -1 0 320.353 -0.597 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001591314830 1016474528 /nfs/dbraw/zinc/47/45/28/1016474528.db2.gz CFXXPOBORQDNNC-MNOVXSKESA-N -1 0 317.305 -0.450 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H]1Cc2ccccc21 ZINC001423260094 1001212943 /nfs/dbraw/zinc/21/29/43/1001212943.db2.gz UATDQVGAZFXGDM-PWSUYJOCSA-N -1 0 317.349 -0.583 20 0 DBADRM COC(=O)CN(CCN1CCOCC1)C(=O)c1c[n-]ncc1=O ZINC001411752547 1001215492 /nfs/dbraw/zinc/21/54/92/1001215492.db2.gz WKGDDAYXNYPGNT-UHFFFAOYSA-N -1 0 324.337 -0.870 20 0 DBADRM COC(=O)c1occc1Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001591308613 1016475068 /nfs/dbraw/zinc/47/50/68/1016475068.db2.gz NTCXHWXBLGVELY-UHFFFAOYSA-N -1 0 318.249 -0.443 20 0 DBADRM CN(C)[C@@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)c1cncn1C ZINC001411772232 1001222394 /nfs/dbraw/zinc/22/23/94/1001222394.db2.gz HFFRSINETNMQNP-WDEREUQCSA-N -1 0 320.357 -0.864 20 0 DBADRM COc1cnc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c(F)c1 ZINC001411782648 1001226057 /nfs/dbraw/zinc/22/60/57/1001226057.db2.gz VEJXYDODHPXKKZ-SECBINFHSA-N -1 0 308.273 -0.044 20 0 DBADRM C[C@H]1CNc2c(C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)cnn2C1 ZINC001411785320 1001227977 /nfs/dbraw/zinc/22/79/77/1001227977.db2.gz ZOHBOAUSRYDXPL-WCBMZHEXSA-N -1 0 318.341 -0.329 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)ccn1 ZINC001423283495 1001229438 /nfs/dbraw/zinc/22/94/38/1001229438.db2.gz FEKZDCINSYVTID-JTQLQIEISA-N -1 0 306.326 -0.906 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC001411796981 1001229628 /nfs/dbraw/zinc/22/96/28/1001229628.db2.gz QWMQXVXKMSDUBB-MRVPVSSYSA-N -1 0 318.355 -0.837 20 0 DBADRM C[C@@H](C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C1CCCC1 ZINC001423286258 1001232773 /nfs/dbraw/zinc/23/27/73/1001232773.db2.gz XROUTAGESVSEIR-KOLCDFICSA-N -1 0 311.386 -0.097 20 0 DBADRM CCC[C@H](NC(=O)c1cn(C(F)(F)CO)nn1)c1nnn[n-]1 ZINC001411851448 1001238607 /nfs/dbraw/zinc/23/86/07/1001238607.db2.gz BNRCUSFRGNOUSE-LURJTMIESA-N -1 0 316.272 -0.396 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001411883088 1001241733 /nfs/dbraw/zinc/24/17/33/1001241733.db2.gz KJPOVDRUHHRVKE-WHUPJOBBSA-N -1 0 300.340 -0.518 20 0 DBADRM CC(C)CN(CCC(=O)[O-])C(=O)CNS(=O)(=O)N(C)C ZINC001591324399 1016477380 /nfs/dbraw/zinc/47/73/80/1016477380.db2.gz UNSIEJGBSQJOSQ-UHFFFAOYSA-N -1 0 309.388 -0.658 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCS[C@H]2COCC[C@H]21 ZINC001411909787 1001246676 /nfs/dbraw/zinc/24/66/76/1001246676.db2.gz CTRMZTBGALXSCK-SFYZADRCSA-N -1 0 300.340 -0.578 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001411912549 1001247996 /nfs/dbraw/zinc/24/79/96/1001247996.db2.gz YUWPVOYJYGUPLY-ZETCQYMHSA-N -1 0 323.353 -0.863 20 0 DBADRM COCCC(=O)N1CCC(NC(=O)c2c[n-]ncc2=O)CC1 ZINC001411912425 1001248452 /nfs/dbraw/zinc/24/84/52/1001248452.db2.gz SQMAQARAKIOATM-UHFFFAOYSA-N -1 0 308.338 -0.061 20 0 DBADRM O=C(Cc1cccc(F)c1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001423317023 1001252472 /nfs/dbraw/zinc/25/24/72/1001252472.db2.gz OIHMQOKRMREQEC-LLVKDONJSA-N -1 0 323.328 -0.541 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@H]1O ZINC001411989184 1001271576 /nfs/dbraw/zinc/27/15/76/1001271576.db2.gz KPYKNICLTYYZEC-PRHODGIISA-N -1 0 314.363 -0.118 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC001423375723 1001273632 /nfs/dbraw/zinc/27/36/32/1001273632.db2.gz OSYXUXLVZNAFHO-WCBMZHEXSA-N -1 0 310.358 -0.885 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCOC[C@H]1[C@@H]1CCCC1=O ZINC001412015605 1001278509 /nfs/dbraw/zinc/27/85/09/1001278509.db2.gz AIKVOVACSBTCGN-YUMQZZPRSA-N -1 0 322.321 -0.320 20 0 DBADRM NS(=O)(=O)CCCC(=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC001412050094 1001288634 /nfs/dbraw/zinc/28/86/34/1001288634.db2.gz JMTDNOAUJIZPAE-QMMMGPOBSA-N -1 0 318.355 -0.450 20 0 DBADRM O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001412060775 1001291809 /nfs/dbraw/zinc/29/18/09/1001291809.db2.gz TWEVNIZEKMMUHT-NXEZZACHSA-N -1 0 313.383 -0.270 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001412076957 1001296276 /nfs/dbraw/zinc/29/62/76/1001296276.db2.gz PPIXOJBRRXLAGC-MRVPVSSYSA-N -1 0 315.351 -0.764 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)OC(C)(C)C ZINC001412103891 1001301575 /nfs/dbraw/zinc/30/15/75/1001301575.db2.gz MLTAYDYEWIJLBY-SSDOTTSWSA-N -1 0 315.330 -0.281 20 0 DBADRM CC(=O)N[C@@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)C(C)C ZINC001423438480 1001303214 /nfs/dbraw/zinc/30/32/14/1001303214.db2.gz VBEGMXVXZLQHBS-GFCCVEGCSA-N -1 0 324.385 -0.686 20 0 DBADRM CO[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC[C@H]1C ZINC001591363063 1016486847 /nfs/dbraw/zinc/48/68/47/1016486847.db2.gz SHPVWQOSJRKRLA-HTQZYQBOSA-N -1 0 321.341 -0.885 20 0 DBADRM CN1C(=O)C[C@H](C(=O)Nn2c(=O)[n-][nH]c2=O)c2ccccc21 ZINC001412181725 1001324106 /nfs/dbraw/zinc/32/41/06/1001324106.db2.gz OWBNCCZEVJRMGH-QMMMGPOBSA-N -1 0 303.278 -0.090 20 0 DBADRM COCC1(O)CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001412182185 1001324249 /nfs/dbraw/zinc/32/42/49/1001324249.db2.gz XIBBOEYPZAOCBR-UHFFFAOYSA-N -1 0 320.305 -0.901 20 0 DBADRM C[C@@H](c1ccccc1)[C@H](NC(=O)CCc1nnn[n-]1)C(N)=O ZINC001412178762 1001324437 /nfs/dbraw/zinc/32/44/37/1001324437.db2.gz GMZWWAKGEFOPED-ZANVPECISA-N -1 0 302.338 -0.094 20 0 DBADRM CCn1ncn([N-]C(=O)c2ccc(S(C)(=O)=O)nc2)c1=O ZINC001412181887 1001324728 /nfs/dbraw/zinc/32/47/28/1001324728.db2.gz QFQSXBRLFAOMAW-UHFFFAOYSA-N -1 0 311.323 -0.753 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC001412220675 1001336692 /nfs/dbraw/zinc/33/66/92/1001336692.db2.gz ZYMXAYVSBLUMOI-SSDOTTSWSA-N -1 0 323.275 -0.788 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC2(C(N)=O)CCOCC2)cc1=O ZINC001412225075 1001339459 /nfs/dbraw/zinc/33/94/59/1001339459.db2.gz WVEPIPXLYAFETN-UHFFFAOYSA-N -1 0 324.381 -0.474 20 0 DBADRM CO[C@H]([C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C1CC1 ZINC001591327064 1016482636 /nfs/dbraw/zinc/48/26/36/1016482636.db2.gz PUVLKPUFEZUMRL-HZGVNTEJSA-N -1 0 321.341 -0.109 20 0 DBADRM CO[C@@H](C)CC(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001423500929 1001346979 /nfs/dbraw/zinc/34/69/79/1001346979.db2.gz FULMTYXQJRUHSR-VHSXEESVSA-N -1 0 315.374 -0.814 20 0 DBADRM CN1C(=O)NCC12CCN(C(=O)CCCc1nnn[n-]1)CC2 ZINC001412263870 1001352317 /nfs/dbraw/zinc/35/23/17/1001352317.db2.gz XDZOTVGTWQIGKQ-UHFFFAOYSA-N -1 0 307.358 -0.461 20 0 DBADRM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001423518091 1001359549 /nfs/dbraw/zinc/35/95/49/1001359549.db2.gz IHPWMHHQUDDHJH-KOLCDFICSA-N -1 0 311.386 -0.193 20 0 DBADRM CC(C)CN1N=C(C(=O)N[C@@]2(C(=O)[O-])CCOC2)CCC1=O ZINC001591366927 1016488988 /nfs/dbraw/zinc/48/89/88/1016488988.db2.gz GKUYWRLCUVGALP-AWEZNQCLSA-N -1 0 311.338 -0.019 20 0 DBADRM CC(C)(CCN1CCOCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001412373628 1001380206 /nfs/dbraw/zinc/38/02/06/1001380206.db2.gz MSILRWURAWRUHV-UHFFFAOYSA-N -1 0 311.342 -0.487 20 0 DBADRM CN(CC(=O)NC1CC1)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412377224 1001380303 /nfs/dbraw/zinc/38/03/03/1001380303.db2.gz YCOWGDNPBNRAAH-UHFFFAOYSA-N -1 0 315.337 -0.575 20 0 DBADRM COCC(=O)Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C2CC2)c1=O ZINC001591363884 1016490654 /nfs/dbraw/zinc/49/06/54/1016490654.db2.gz LQDMLNADPXBOEE-UHFFFAOYSA-N -1 0 320.309 -0.951 20 0 DBADRM CO[C@@H]1CCC[C@@H]1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591363757 1016490841 /nfs/dbraw/zinc/49/08/41/1016490841.db2.gz YGSNRBLXHDYFFP-DTWKUNHWSA-N -1 0 306.330 -0.611 20 0 DBADRM CC(C)CN1N=C(C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCC1=O ZINC001591366958 1016491373 /nfs/dbraw/zinc/49/13/73/1016491373.db2.gz IASFHFKTUHEKOQ-LLVKDONJSA-N -1 0 311.338 -0.067 20 0 DBADRM O=C(Cc1nnc(C2CC2)[nH]1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001412424783 1001396622 /nfs/dbraw/zinc/39/66/22/1001396622.db2.gz AJCZRASWQKVZSL-MRVPVSSYSA-N -1 0 304.314 -0.662 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001412428183 1001397669 /nfs/dbraw/zinc/39/76/69/1001397669.db2.gz RNGGLXSNRYYPEF-VHSXEESVSA-N -1 0 308.342 -0.501 20 0 DBADRM CNc1nc(C)cc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)n1 ZINC001412429740 1001398888 /nfs/dbraw/zinc/39/88/88/1001398888.db2.gz GYNCHIKJKZGKTA-VIFPVBQESA-N -1 0 304.314 -0.446 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001412434114 1001400624 /nfs/dbraw/zinc/40/06/24/1001400624.db2.gz TYQVSDCEFODSJV-OUAUKWLOSA-N -1 0 311.342 -0.459 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)n1 ZINC001412434192 1001401075 /nfs/dbraw/zinc/40/10/75/1001401075.db2.gz UVCMDLZMGDGRLC-SNVBAGLBSA-N -1 0 317.309 -0.832 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1C[C@H](CO)[C@H](CO)C1 ZINC001412477324 1001419064 /nfs/dbraw/zinc/41/90/64/1001419064.db2.gz CIWFMHDUMNMHMN-TXEJJXNPSA-N -1 0 319.317 -0.297 20 0 DBADRM CCOC(=O)CN(CC(C)C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412483080 1001421759 /nfs/dbraw/zinc/42/17/59/1001421759.db2.gz UEAMBDOFQBQWHC-UHFFFAOYSA-N -1 0 300.315 -0.263 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@H](CO)[C@H](CO)C2)cc1=O ZINC001412481947 1001422274 /nfs/dbraw/zinc/42/22/74/1001422274.db2.gz YGINPQWMUCIQQS-TXEJJXNPSA-N -1 0 311.382 -0.566 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCCC(=O)NCc1cccnc1 ZINC001412486129 1001423017 /nfs/dbraw/zinc/42/30/17/1001423017.db2.gz GQBSQNXUXAVEMG-UHFFFAOYSA-N -1 0 317.353 -0.260 20 0 DBADRM Nc1nnc(CC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)s1 ZINC001412493759 1001425477 /nfs/dbraw/zinc/42/54/77/1001425477.db2.gz SIZGIWDAQLXFHB-UHFFFAOYSA-N -1 0 323.300 -0.200 20 0 DBADRM O=C(Cc1ccoc1)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423760860 1001425453 /nfs/dbraw/zinc/42/54/53/1001425453.db2.gz SEJKQRAPMSFDRM-AWEZNQCLSA-N -1 0 321.337 -0.601 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N2CC[C@@H](c3nnn[n-]3)C2)n1 ZINC001412493531 1001425548 /nfs/dbraw/zinc/42/55/48/1001425548.db2.gz VUMWURBMNXZALD-MRVPVSSYSA-N -1 0 305.346 -0.500 20 0 DBADRM CC(C)CNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001591370590 1016493504 /nfs/dbraw/zinc/49/35/04/1016493504.db2.gz MAIDTCFVUQNXOB-UHFFFAOYSA-N -1 0 315.351 -0.170 20 0 DBADRM CC(C)CNC(=O)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001591370277 1016493831 /nfs/dbraw/zinc/49/38/31/1016493831.db2.gz FAOXQEWZNHPZMS-UHFFFAOYSA-N -1 0 316.358 -0.961 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCc2cc[nH]n2)c1 ZINC001412518955 1001435538 /nfs/dbraw/zinc/43/55/38/1001435538.db2.gz DULPSICCBIUUGX-UHFFFAOYSA-N -1 0 310.335 -0.265 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001412524863 1001436841 /nfs/dbraw/zinc/43/68/41/1001436841.db2.gz CKOKMHBODMBAAL-JTQLQIEISA-N -1 0 309.374 -0.025 20 0 DBADRM Cc1occc(=O)c1OCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001412526734 1001438381 /nfs/dbraw/zinc/43/83/81/1001438381.db2.gz CWGXJRMLAXFYSJ-SNVBAGLBSA-N -1 0 321.293 -0.560 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001412530443 1001439695 /nfs/dbraw/zinc/43/96/95/1001439695.db2.gz UZPTXIRIANUHLZ-FXPVBKGRSA-N -1 0 303.326 -0.363 20 0 DBADRM CN(C(=O)CSc1n[nH]c(=O)[n-]1)C1CCS(=O)CC1 ZINC001412540921 1001443537 /nfs/dbraw/zinc/44/35/37/1001443537.db2.gz YBQJPUACMRSSCB-UHFFFAOYSA-N -1 0 304.397 -0.028 20 0 DBADRM COC[C@](C)([N-]S(=O)(=O)C1(C(=O)OC)CCC1)C(=O)OC ZINC001423813733 1001445527 /nfs/dbraw/zinc/44/55/27/1001445527.db2.gz RGTDDZRHOPQAHF-NSHDSACASA-N -1 0 323.367 -0.420 20 0 DBADRM COC[C@@H](C)[C@@H](C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591372458 1016496264 /nfs/dbraw/zinc/49/62/64/1016496264.db2.gz HGHHCMUZPKDXKP-RKDXNWHRSA-N -1 0 308.346 -0.507 20 0 DBADRM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)CCc1nnn[n-]1)CC2 ZINC001412589727 1001469135 /nfs/dbraw/zinc/46/91/35/1001469135.db2.gz IPUIMQQPUDYLLE-GHMZBOCLSA-N -1 0 309.370 -0.089 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)C[C@H]1CCO[C@@H](C)C1)C(=O)OC ZINC001423843981 1001472058 /nfs/dbraw/zinc/47/20/58/1001472058.db2.gz KOMRZHYYOLBJID-DCAQKATOSA-N -1 0 309.384 -0.091 20 0 DBADRM COC(=O)CCN(C(=O)CCc1nnn[n-]1)C1CCOCC1 ZINC001412594702 1001478289 /nfs/dbraw/zinc/47/82/89/1001478289.db2.gz WGFQTUMBSUSZLW-UHFFFAOYSA-N -1 0 311.342 -0.297 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001423854857 1001481009 /nfs/dbraw/zinc/48/10/09/1001481009.db2.gz RQEALXJHUPDRCE-VWYCJHECSA-N -1 0 307.368 -0.603 20 0 DBADRM COC[C@@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)c1nnn[n-]1 ZINC001412607396 1001491954 /nfs/dbraw/zinc/49/19/54/1001491954.db2.gz MPQHANBUPBNPDR-NKWVEPMBSA-N -1 0 310.280 -0.114 20 0 DBADRM COC[C@@H](NC(=O)C1CCC(C(=O)N(C)C)CC1)c1nnn[n-]1 ZINC001412613807 1001493339 /nfs/dbraw/zinc/49/33/39/1001493339.db2.gz VFFLLCWFQZZJGY-VQXHTEKXSA-N -1 0 324.385 -0.102 20 0 DBADRM COC[C@H](O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591380414 1016499718 /nfs/dbraw/zinc/49/97/18/1016499718.db2.gz CHIZVGKRCIANRX-SSDOTTSWSA-N -1 0 317.327 -0.865 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H](CO)C[C@@H]1CCCO1 ZINC001412633223 1001516070 /nfs/dbraw/zinc/51/60/70/1001516070.db2.gz YGTOZJFXQJFLTB-SFYZADRCSA-N -1 0 302.356 -0.351 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H](CO)[C@@H]1CCOC1 ZINC001423894660 1001518870 /nfs/dbraw/zinc/51/88/70/1001518870.db2.gz MDERWCHXGKTNAD-PSASIEDQSA-N -1 0 319.335 -0.258 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(C)F ZINC001412650106 1001521614 /nfs/dbraw/zinc/52/16/14/1001521614.db2.gz ZOWDIHTZUXXDTQ-SSDOTTSWSA-N -1 0 317.321 -0.600 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001423913346 1001524505 /nfs/dbraw/zinc/52/45/05/1001524505.db2.gz USGOYFOXRGRERZ-HUBMKLMBSA-N -1 0 322.365 -0.061 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NC(=O)c2cnn(C)n2)c1[O-] ZINC001423912261 1001524826 /nfs/dbraw/zinc/52/48/26/1001524826.db2.gz SYONXRNEWPSWFC-NKWVEPMBSA-N -1 0 321.341 -0.511 20 0 DBADRM O=C1NCCCN1[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC001423939042 1001531120 /nfs/dbraw/zinc/53/11/20/1001531120.db2.gz HLMZAXZASBXVBD-UHFFFAOYSA-N -1 0 301.328 -0.726 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001412709872 1001537564 /nfs/dbraw/zinc/53/75/64/1001537564.db2.gz UUMTXHHAHQLZKB-JTQLQIEISA-N -1 0 318.289 -0.346 20 0 DBADRM CCN(CCS(C)(=O)=O)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001412714968 1001538872 /nfs/dbraw/zinc/53/88/72/1001538872.db2.gz YJYJZBFENHJNIO-UHFFFAOYSA-N -1 0 308.385 -0.505 20 0 DBADRM COC[C@H]1CN(Cn2cccc(-c3nnn[n-]3)c2=O)C[C@@H](C)O1 ZINC001591396160 1016505988 /nfs/dbraw/zinc/50/59/88/1016505988.db2.gz RPWLUMJSMLOXRB-GHMZBOCLSA-N -1 0 320.353 -0.278 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001412725043 1001541787 /nfs/dbraw/zinc/54/17/87/1001541787.db2.gz FIFJGAZMDOYOHC-GXSJLCMTSA-N -1 0 302.338 -0.082 20 0 DBADRM COC[C@@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC001424001680 1001542910 /nfs/dbraw/zinc/54/29/10/1001542910.db2.gz YYMLOKXXJIFOQJ-GIGQVBGESA-N -1 0 322.408 -0.015 20 0 DBADRM COC[C@H]1CCCN1NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591394696 1016506279 /nfs/dbraw/zinc/50/62/79/1016506279.db2.gz XNVRBFMJSXHMOS-DTWKUNHWSA-N -1 0 321.345 -0.839 20 0 DBADRM C[C@H](CNC(=O)[C@H](C)C1CC1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001424104191 1001570849 /nfs/dbraw/zinc/57/08/49/1001570849.db2.gz SZTNQEVKJDADJA-HTQZYQBOSA-N -1 0 323.353 -0.094 20 0 DBADRM COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)CCc1nnn[n-]1 ZINC001412775011 1001572101 /nfs/dbraw/zinc/57/21/01/1001572101.db2.gz QOMPKXMXTQDHLG-QMMMGPOBSA-N -1 0 319.325 -0.233 20 0 DBADRM CC(C)CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001591390957 1016507719 /nfs/dbraw/zinc/50/77/19/1016507719.db2.gz CNQXJNNOVZRSAW-ZJUUUORDSA-N -1 0 304.318 -0.201 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)COC(C)C)c1[O-] ZINC001412801726 1001592089 /nfs/dbraw/zinc/59/20/89/1001592089.db2.gz ALLHYOKZGDUKQZ-SECBINFHSA-N -1 0 314.342 -0.944 20 0 DBADRM COC[C@@H]1CN(Cn2cccc(-c3nnn[n-]3)c2=O)C[C@@H](C)O1 ZINC001591396161 1016508653 /nfs/dbraw/zinc/50/86/53/1016508653.db2.gz RPWLUMJSMLOXRB-MNOVXSKESA-N -1 0 320.353 -0.278 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)C(C)(F)F ZINC001424238377 1001605393 /nfs/dbraw/zinc/60/53/93/1001605393.db2.gz BTXCQWKFAMAORT-ZCFIWIBFSA-N -1 0 321.284 -0.692 20 0 DBADRM CS(=O)(=O)CC1(CNS(=O)(=O)c2ncc[n-]2)CCC1 ZINC001424241083 1001605957 /nfs/dbraw/zinc/60/59/57/1001605957.db2.gz UBBJDTMYZVXWSR-UHFFFAOYSA-N -1 0 307.397 -0.097 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)[C@@H]1CC12CC2 ZINC001424241614 1001606680 /nfs/dbraw/zinc/60/66/80/1001606680.db2.gz FZKAOGWBSPNWDH-IUCAKERBSA-N -1 0 323.353 -0.548 20 0 DBADRM COCCCCN(C)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591410193 1016510105 /nfs/dbraw/zinc/51/01/05/1016510105.db2.gz BJFGAUVMAGUUQV-SECBINFHSA-N -1 0 308.346 -0.096 20 0 DBADRM CSc1nccnc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC001412843328 1001616886 /nfs/dbraw/zinc/61/68/86/1001616886.db2.gz SGNFBXCOHIYCOY-UHFFFAOYSA-N -1 0 314.352 -0.028 20 0 DBADRM CN(C)c1cnc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)cn1 ZINC001412846039 1001617319 /nfs/dbraw/zinc/61/73/19/1001617319.db2.gz DSMXKHUHARIKTC-VIFPVBQESA-N -1 0 320.382 -0.014 20 0 DBADRM COCC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)C(N)=O ZINC001591399924 1016511478 /nfs/dbraw/zinc/51/14/78/1016511478.db2.gz HQAKEZBMVQLEAB-VIFPVBQESA-N -1 0 320.309 -0.808 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNC(=O)Cc2c[nH]cn2)c1[O-] ZINC001424341444 1001627308 /nfs/dbraw/zinc/62/73/08/1001627308.db2.gz ZRKHACCZUZMCIQ-QMMMGPOBSA-N -1 0 320.353 -0.034 20 0 DBADRM COCCC(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001424367959 1001632926 /nfs/dbraw/zinc/63/29/26/1001632926.db2.gz SCUBPKWOZBBGDG-SECBINFHSA-N -1 0 311.342 -0.994 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC001412893075 1001638304 /nfs/dbraw/zinc/63/83/04/1001638304.db2.gz AOZZNVMUOXRTSV-LLVKDONJSA-N -1 0 322.369 -0.732 20 0 DBADRM COc1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cn1 ZINC001412905960 1001642737 /nfs/dbraw/zinc/64/27/37/1001642737.db2.gz XVNWELQMXJAFBB-UHFFFAOYSA-N -1 0 304.310 -0.273 20 0 DBADRM O=S(=O)(N[C@@H]1COC[C@@H]1O)c1ncccc1Br ZINC001424450447 1001643372 /nfs/dbraw/zinc/64/33/72/1001643372.db2.gz VOYHOFXGJKJIPK-SFYZADRCSA-N -1 0 323.168 -0.118 20 0 DBADRM COCCN(CCC(=O)OC)c1ccnc(-c2nnn[n-]2)n1 ZINC001591422658 1016515156 /nfs/dbraw/zinc/51/51/56/1016515156.db2.gz OZEVYNCKPSYEJV-UHFFFAOYSA-N -1 0 307.314 -0.327 20 0 DBADRM CCOC(=O)[C@@H]1CSCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412924289 1001650980 /nfs/dbraw/zinc/65/09/80/1001650980.db2.gz ZFTCCNZMHWLCJR-LURJTMIESA-N -1 0 302.312 -0.846 20 0 DBADRM CCOC(=O)[C@H]1CSCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412924295 1001651651 /nfs/dbraw/zinc/65/16/51/1001651651.db2.gz ZFTCCNZMHWLCJR-ZCFIWIBFSA-N -1 0 302.312 -0.846 20 0 DBADRM Nc1nc2nc(CN3CCO[C@]4(CCSC4)C3)cc(=O)n2[n-]1 ZINC001413011654 1001683481 /nfs/dbraw/zinc/68/34/81/1001683481.db2.gz LRRWRPZUGJTASE-CYBMUJFWSA-N -1 0 322.394 -0.292 20 0 DBADRM Nc1nc2nc(CN3CCC4=C(CCC(=O)N4)C3)cc(=O)n2[n-]1 ZINC001413032345 1001688138 /nfs/dbraw/zinc/68/81/38/1001688138.db2.gz YXKWFGWCHQFQFS-UHFFFAOYSA-N -1 0 315.337 -0.630 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc(C2(O)COC2)cc1 ZINC001413044251 1001689954 /nfs/dbraw/zinc/68/99/54/1001689954.db2.gz JVCJVAJJUUPYDL-UHFFFAOYSA-N -1 0 306.278 -0.454 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001591414337 1016513515 /nfs/dbraw/zinc/51/35/15/1016513515.db2.gz HKPJGELMZCTZPA-NXEZZACHSA-N -1 0 307.368 -0.649 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)N(C)Cc3nc(=O)o[n-]3)nc2C1 ZINC001413176880 1001707835 /nfs/dbraw/zinc/70/78/35/1001707835.db2.gz CLYUWYSOAXSOQT-MRVPVSSYSA-N -1 0 307.310 -0.207 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C2CC2)C1 ZINC001424655746 1001716478 /nfs/dbraw/zinc/71/64/78/1001716478.db2.gz YTJLMIGXYJJRGY-SSDOTTSWSA-N -1 0 309.326 -0.938 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001413243233 1001768519 /nfs/dbraw/zinc/76/85/19/1001768519.db2.gz HPFYEFQQKCAORY-SECBINFHSA-N -1 0 300.315 -0.657 20 0 DBADRM COCCc1nc(Cn2ccc(C)c(-c3nnn[n-]3)c2=O)no1 ZINC001591447805 1016525665 /nfs/dbraw/zinc/52/56/65/1016525665.db2.gz GLESUVNNBMRKSG-UHFFFAOYSA-N -1 0 317.309 -0.043 20 0 DBADRM Cc1conc1CN[C@H](C)[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001424838291 1001805108 /nfs/dbraw/zinc/80/51/08/1001805108.db2.gz OSPPOORTYUFFDQ-RKDXNWHRSA-N -1 0 324.341 -0.331 20 0 DBADRM Cc1nc(CN[C@H](C)[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001424840194 1001805247 /nfs/dbraw/zinc/80/52/47/1001805247.db2.gz RLHYTBSOVAJJRQ-HTQZYQBOSA-N -1 0 324.341 -0.331 20 0 DBADRM CC(C)C[C@@H]1C[C@H]1NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001591444662 1016527192 /nfs/dbraw/zinc/52/71/92/1016527192.db2.gz MJYGUJGVDVRMPX-NOOOWODRSA-N -1 0 312.366 -0.169 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1noc2c1CCCC2 ZINC001413325772 1001814631 /nfs/dbraw/zinc/81/46/31/1001814631.db2.gz WURDBKNPWULXNW-SECBINFHSA-N -1 0 318.351 -0.493 20 0 DBADRM CCc1c[nH]c(CC(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001424970828 1001819045 /nfs/dbraw/zinc/81/90/45/1001819045.db2.gz YDJADROQGCLLDX-VIFPVBQESA-N -1 0 321.385 -0.025 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1nc(O)cc(=O)[nH]1 ZINC001413342367 1001821013 /nfs/dbraw/zinc/82/10/13/1001821013.db2.gz MSUIVPYZFVFQED-UHFFFAOYSA-N -1 0 322.243 -0.039 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@@H](n2ccnn2)CC1 ZINC001413344119 1001821926 /nfs/dbraw/zinc/82/19/26/1001821926.db2.gz PUSOQMHBLHXPCI-MRVPVSSYSA-N -1 0 305.298 -0.258 20 0 DBADRM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)Cc1noc(C2CC2)n1 ZINC001413365556 1001827907 /nfs/dbraw/zinc/82/79/07/1001827907.db2.gz KUYNRCDZNOTAHN-NSHDSACASA-N -1 0 319.339 -0.710 20 0 DBADRM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC001413367178 1001828945 /nfs/dbraw/zinc/82/89/45/1001828945.db2.gz ZZZVRQLKAGEENI-PWSUYJOCSA-N -1 0 311.400 -0.109 20 0 DBADRM COCc1nocc1C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001425029969 1001829501 /nfs/dbraw/zinc/82/95/01/1001829501.db2.gz JTHZXFMAHWEJON-MRVPVSSYSA-N -1 0 324.341 -0.105 20 0 DBADRM CC(C)C[C@@H]1C[C@H]1NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001591444661 1016528640 /nfs/dbraw/zinc/52/86/40/1016528640.db2.gz MJYGUJGVDVRMPX-DDHJBXDOSA-N -1 0 312.366 -0.169 20 0 DBADRM COc1cc(CCC(=O)N2CCOC[C@@H]2c2nnn[n-]2)on1 ZINC001413385054 1001834121 /nfs/dbraw/zinc/83/41/21/1001834121.db2.gz DPVFVXMWKZVYOW-SECBINFHSA-N -1 0 308.298 -0.271 20 0 DBADRM COc1cccc(CC(=O)N2CCOC[C@H]2c2nnn[n-]2)n1 ZINC001413385617 1001834152 /nfs/dbraw/zinc/83/41/52/1001834152.db2.gz HVLLYQWIDNXDCP-JTQLQIEISA-N -1 0 304.310 -0.254 20 0 DBADRM Cc1cc(CN(C)[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)on1 ZINC001425057438 1001837127 /nfs/dbraw/zinc/83/71/27/1001837127.db2.gz OAJWGWVYHWZJOO-SECBINFHSA-N -1 0 324.341 -0.378 20 0 DBADRM COC[C@@](C)(CO)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001413403662 1001838315 /nfs/dbraw/zinc/83/83/15/1001838315.db2.gz FBYXDLWUSYYVNK-CYBMUJFWSA-N -1 0 306.326 -0.798 20 0 DBADRM CC(C)(C)n1nnc(C(=O)N2CCC(c3nnn[n-]3)CC2)n1 ZINC001413426465 1001844978 /nfs/dbraw/zinc/84/49/78/1001844978.db2.gz LNLLQJIKYCMPLU-UHFFFAOYSA-N -1 0 305.346 -0.039 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H]1CCOC[C@H]1O ZINC001413434096 1001848175 /nfs/dbraw/zinc/84/81/75/1001848175.db2.gz ZHBYAESTLXELTE-RKDXNWHRSA-N -1 0 305.308 -0.506 20 0 DBADRM CN1C[C@H](C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)CC1=O ZINC001413452472 1001851192 /nfs/dbraw/zinc/85/11/92/1001851192.db2.gz AKBABGFSCHZFRQ-MRVPVSSYSA-N -1 0 306.322 -0.651 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CC(CNC(=O)C(F)(F)F)C1 ZINC001413460882 1001854075 /nfs/dbraw/zinc/85/40/75/1001854075.db2.gz MNSAZNZYYVDSAS-UHFFFAOYSA-N -1 0 320.275 -0.341 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)nn1 ZINC001413469441 1001856087 /nfs/dbraw/zinc/85/60/87/1001856087.db2.gz OMDDOBGTNYETMT-BDAKNGLRSA-N -1 0 306.330 -0.808 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)CCCF ZINC001433471020 1001861351 /nfs/dbraw/zinc/86/13/51/1001861351.db2.gz CPADYXZFOHTGFF-MRVPVSSYSA-N -1 0 314.317 -0.530 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CN1CCCS1(=O)=O ZINC001413501056 1001863863 /nfs/dbraw/zinc/86/38/63/1001863863.db2.gz BKMUWRCINSANGO-UHFFFAOYSA-N -1 0 316.387 -0.780 20 0 DBADRM Cn1nnc2cc(NC(=O)Cn3[n-]cc4c(=O)ncnc3-4)ccc21 ZINC001433509666 1001869028 /nfs/dbraw/zinc/86/90/28/1001869028.db2.gz IUAULBVMLQEWJK-UHFFFAOYSA-N -1 0 324.304 -0.008 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@H](O)c1ccccn1)C(=O)[O-] ZINC001591453899 1016532451 /nfs/dbraw/zinc/53/24/51/1016532451.db2.gz YVJYBMATEKQHQR-WCQYABFASA-N -1 0 323.349 -0.153 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC1(C(F)F)OCCO1 ZINC001433523825 1001873529 /nfs/dbraw/zinc/87/35/29/1001873529.db2.gz DUSRBJUXNIEANP-UHFFFAOYSA-N -1 0 315.236 -0.847 20 0 DBADRM Cc1nonc1CC(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001425241988 1001874127 /nfs/dbraw/zinc/87/41/27/1001874127.db2.gz BJTNCJHAQBWWQT-ZETCQYMHSA-N -1 0 321.341 -0.619 20 0 DBADRM CN(C(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1nnn[n-]1 ZINC001433525276 1001874270 /nfs/dbraw/zinc/87/42/70/1001874270.db2.gz UCBFNMKDBNJSKF-UHFFFAOYSA-N -1 0 324.366 -0.432 20 0 DBADRM COC[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1nnn[n-]1 ZINC001413549108 1001876509 /nfs/dbraw/zinc/87/65/09/1001876509.db2.gz CBRBOFHLMBVOPB-SNVBAGLBSA-N -1 0 322.300 -0.428 20 0 DBADRM COC[C@@H](NC(=O)CCNC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001413553363 1001878110 /nfs/dbraw/zinc/87/81/10/1001878110.db2.gz LDTCUJPMSKRIEW-MRVPVSSYSA-N -1 0 314.346 -0.082 20 0 DBADRM COC[C@@H](NC(=O)CCc1nnc(C(F)F)o1)c1nnn[n-]1 ZINC001413550287 1001878146 /nfs/dbraw/zinc/87/81/46/1001878146.db2.gz DGMNTELNSNQZOK-RXMQYKEDSA-N -1 0 317.256 -0.043 20 0 DBADRM COC[C@@H](NC(=O)c1cc(C(=O)OC)ccn1)c1nnn[n-]1 ZINC001413551113 1001878304 /nfs/dbraw/zinc/87/83/04/1001878304.db2.gz GULMUZJQAWSWFJ-SECBINFHSA-N -1 0 306.282 -0.501 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC001413568369 1001881572 /nfs/dbraw/zinc/88/15/72/1001881572.db2.gz POISNIOJGXNMKT-TVQRCGJNSA-N -1 0 323.357 -0.143 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC001413568225 1001881643 /nfs/dbraw/zinc/88/16/43/1001881643.db2.gz NNROFXGIBNFEOU-GHMZBOCLSA-N -1 0 324.385 -0.196 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC001413568365 1001882046 /nfs/dbraw/zinc/88/20/46/1001882046.db2.gz POISNIOJGXNMKT-NOZJJQNGSA-N -1 0 323.357 -0.143 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1)S(C)(=O)=O ZINC001413567559 1001882331 /nfs/dbraw/zinc/88/23/31/1001882331.db2.gz ZCMKCYUHCGXTEX-BDAKNGLRSA-N -1 0 301.372 -0.586 20 0 DBADRM CO[N-]C(=O)CNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001591467375 1016534290 /nfs/dbraw/zinc/53/42/90/1016534290.db2.gz MDORHGFWHRBXPX-UHFFFAOYSA-N -1 0 306.282 -0.961 20 0 DBADRM O=C(N[C@@H](CO)C[C@@H]1CCCO1)c1c[n-]n2c1nccc2=O ZINC001413583680 1001885995 /nfs/dbraw/zinc/88/59/95/1001885995.db2.gz PISGKRFZIZOZPD-ZJUUUORDSA-N -1 0 306.322 -0.318 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@@]2(CCOC2=O)C1 ZINC001433586173 1001891017 /nfs/dbraw/zinc/89/10/17/1001891017.db2.gz UQFZFEOXRDZPCH-CQSZACIVSA-N -1 0 317.305 -0.763 20 0 DBADRM CC(C)OC(=O)CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001433588214 1001891454 /nfs/dbraw/zinc/89/14/54/1001891454.db2.gz FZWRFUYNDSLOFD-UHFFFAOYSA-N -1 0 300.315 -0.073 20 0 DBADRM CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CCc1nnn[n-]1 ZINC001433593446 1001893711 /nfs/dbraw/zinc/89/37/11/1001893711.db2.gz AGLRGLNPDCVQAJ-RKDXNWHRSA-N -1 0 312.399 -0.052 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCc1cn2c(n1)CCCC2 ZINC001433602618 1001895902 /nfs/dbraw/zinc/89/59/02/1001895902.db2.gz RBGFYKZKPCGNKU-UHFFFAOYSA-N -1 0 306.326 -0.419 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cc(F)c(-c2nn[nH]n2)c(F)c1 ZINC001591466210 1016536162 /nfs/dbraw/zinc/53/61/62/1016536162.db2.gz AUZCSSXDJZICRK-UHFFFAOYSA-N -1 0 312.236 -0.448 20 0 DBADRM CCn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1[C@]1(C)CNC(=O)C1 ZINC001597859855 1017208874 /nfs/dbraw/zinc/20/88/74/1017208874.db2.gz ZGTJRLPUSPFCBN-OTYXRUKQSA-N -1 0 307.354 -0.014 20 0 DBADRM C[C@H](NC(=O)CCc1nnn[n-]1)C(=O)NCc1ccccc1 ZINC001433632305 1001918642 /nfs/dbraw/zinc/91/86/42/1001918642.db2.gz QDYLGCIPUXLGOV-JTQLQIEISA-N -1 0 302.338 -0.047 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCN1Cc2ccccc2C1 ZINC001433636198 1001920925 /nfs/dbraw/zinc/92/09/25/1001920925.db2.gz LZKFVUIIQRWUEJ-UHFFFAOYSA-N -1 0 303.322 -0.179 20 0 DBADRM CO[C@H]1C[C@@H](CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001591473017 1016539787 /nfs/dbraw/zinc/53/97/87/1016539787.db2.gz QBAKPCSWIKDULL-OCAPTIKFSA-N -1 0 321.341 -0.899 20 0 DBADRM CS(=O)(=O)Cc1cccc(CNC(=O)CCc2nnn[n-]2)c1 ZINC001433645487 1001922641 /nfs/dbraw/zinc/92/26/41/1001922641.db2.gz MHIITXQLMYLBFC-UHFFFAOYSA-N -1 0 323.378 -0.007 20 0 DBADRM O=C(CC1(C(=O)NCc2nnn[n-]2)CCCC1)N1CCOCC1 ZINC001433657606 1001925844 /nfs/dbraw/zinc/92/58/44/1001925844.db2.gz CUSTXPPMHIRQOS-UHFFFAOYSA-N -1 0 322.369 -0.375 20 0 DBADRM CCS(=O)(=O)c1ccccc1CC(=O)NCc1nnn[n-]1 ZINC001433659098 1001927790 /nfs/dbraw/zinc/92/77/90/1001927790.db2.gz QTNIDPAMIWIVGQ-UHFFFAOYSA-N -1 0 309.351 -0.148 20 0 DBADRM C[C@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)[C@H](C)S(C)(=O)=O ZINC001433666142 1001933298 /nfs/dbraw/zinc/93/32/98/1001933298.db2.gz UENDZJXVHWQOSN-XHNCKOQMSA-N -1 0 317.371 -0.831 20 0 DBADRM COc1ccc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)o1 ZINC001591572311 1016548450 /nfs/dbraw/zinc/54/84/50/1016548450.db2.gz GOHPTGYFYVHEOH-UHFFFAOYSA-N -1 0 304.270 -0.510 20 0 DBADRM CC(C)N(C[C@@H](O)CO)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001591573438 1016549315 /nfs/dbraw/zinc/54/93/15/1016549315.db2.gz FFDLLCNPJHUHNY-MXWKQRLJSA-N -1 0 309.384 -0.367 20 0 DBADRM COc1cc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)ncn1 ZINC001591544392 1016550989 /nfs/dbraw/zinc/55/09/89/1016550989.db2.gz YNFJABNRNAKTSZ-LURJTMIESA-N -1 0 316.285 -0.544 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)CCc2ocnc2C(=O)[O-])C1=O ZINC001591604579 1016552247 /nfs/dbraw/zinc/55/22/47/1016552247.db2.gz YSEUQXGXPLSGJC-MRVPVSSYSA-N -1 0 323.305 -0.043 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)C2=CCCC2)c1[O-] ZINC001425332429 1001971513 /nfs/dbraw/zinc/97/15/13/1001971513.db2.gz BRIQOBIUUSOBHO-JTQLQIEISA-N -1 0 308.338 -0.259 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)CCCc1nnn[n-]1 ZINC001433706154 1001982304 /nfs/dbraw/zinc/98/23/04/1001982304.db2.gz BLJGFDMESGOPNI-SECBINFHSA-N -1 0 303.388 -0.196 20 0 DBADRM COc1cc(C(=O)NCc2nc(=O)o[n-]2)ccc1-c1nn[nH]n1 ZINC001591515297 1016545894 /nfs/dbraw/zinc/54/58/94/1016545894.db2.gz LFSIWEREGXNUCH-UHFFFAOYSA-N -1 0 317.265 -0.518 20 0 DBADRM CC(C)N(CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1cn[nH]n1 ZINC001591591319 1016552680 /nfs/dbraw/zinc/55/26/80/1016552680.db2.gz STHMBODDPPEKDR-UWVGGRQHSA-N -1 0 323.353 -0.166 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)c2cccn2C)c1[O-] ZINC001425352139 1002004357 /nfs/dbraw/zinc/00/43/57/1002004357.db2.gz IUYFTDYGSIERMZ-SECBINFHSA-N -1 0 321.337 -0.717 20 0 DBADRM CC(C)N(C[C@@H](O)CO)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001591573650 1016553480 /nfs/dbraw/zinc/55/34/80/1016553480.db2.gz OFWXJHSGYAERPN-SECBINFHSA-N -1 0 320.367 -0.524 20 0 DBADRM CC(C)N1C[C@@H](N2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)CC1=O ZINC001591609875 1016554194 /nfs/dbraw/zinc/55/41/94/1016554194.db2.gz BIGJEOPEKNONNH-SJQPAMGKSA-N -1 0 309.322 -0.363 20 0 DBADRM COC(=O)C1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC001413783735 1002009998 /nfs/dbraw/zinc/00/99/98/1002009998.db2.gz ALLAZVZWEYATNO-UHFFFAOYSA-N -1 0 304.262 -0.319 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001591605412 1016555152 /nfs/dbraw/zinc/55/51/52/1016555152.db2.gz MHQWTALMYIWTGU-UWVGGRQHSA-N -1 0 311.338 -0.813 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC2(F)F)c1[O-] ZINC001425369048 1002021198 /nfs/dbraw/zinc/02/11/98/1002021198.db2.gz RFPCAGFAKGTHAX-NKWVEPMBSA-N -1 0 318.280 -0.714 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC2(F)F)c1[O-] ZINC001425369047 1002022885 /nfs/dbraw/zinc/02/28/85/1002022885.db2.gz RFPCAGFAKGTHAX-BQBZGAKWSA-N -1 0 318.280 -0.714 20 0 DBADRM CC(C)N1CCC[C@@H](N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1=O ZINC001591624561 1016556773 /nfs/dbraw/zinc/55/67/73/1016556773.db2.gz PQQUFFLYNZPFAZ-GHMZBOCLSA-N -1 0 318.395 -0.431 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1=O ZINC001591617214 1016557716 /nfs/dbraw/zinc/55/77/16/1016557716.db2.gz ZJDUMGJDHPAXDX-KXUCPTDWSA-N -1 0 311.338 -0.909 20 0 DBADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CC[C@@H](O)[C@H](CO)C1 ZINC001413841063 1002036185 /nfs/dbraw/zinc/03/61/85/1002036185.db2.gz MYXXVTCHKGALRT-NWDGAFQWSA-N -1 0 319.317 -0.155 20 0 DBADRM CNC(=O)[C@H](O)CNC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001413845843 1002038532 /nfs/dbraw/zinc/03/85/32/1002038532.db2.gz FBKJAYKJXSIZCY-SNVBAGLBSA-N -1 0 322.296 -0.446 20 0 DBADRM CC(=O)N[C@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)C(C)(C)C ZINC001413852124 1002039869 /nfs/dbraw/zinc/03/98/69/1002039869.db2.gz PXKAGICPQZNENR-SSDOTTSWSA-N -1 0 317.371 -0.303 20 0 DBADRM NS(=O)(=O)N1CCC(NC(=O)c2ccc(F)cc2[O-])CC1 ZINC001413865447 1002045996 /nfs/dbraw/zinc/04/59/96/1002045996.db2.gz MNBNYYQHAFXZGJ-UHFFFAOYSA-N -1 0 317.342 -0.071 20 0 DBADRM CC(C)NC(=O)CNC(=S)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001591645234 1016560077 /nfs/dbraw/zinc/56/00/77/1016560077.db2.gz QVSRLDWZCCRERR-DTWKUNHWSA-N -1 0 303.384 -0.847 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001591645196 1016560157 /nfs/dbraw/zinc/56/01/57/1016560157.db2.gz PJRPNJWVYXIGJR-UHFFFAOYSA-N -1 0 322.365 -0.005 20 0 DBADRM Cn1cc(CNC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)nn1 ZINC001413886055 1002052834 /nfs/dbraw/zinc/05/28/34/1002052834.db2.gz QCCUFLHPAMPFIQ-QMMMGPOBSA-N -1 0 306.330 -0.272 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCC1(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001433830129 1002057147 /nfs/dbraw/zinc/05/71/47/1002057147.db2.gz MHDLLESPDPVRLR-IUCAKERBSA-N -1 0 320.349 -0.480 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCc3c[nH]nc3C2)c1 ZINC001433834020 1002058284 /nfs/dbraw/zinc/05/82/84/1002058284.db2.gz QSLFMKSZCJCORG-UHFFFAOYSA-N -1 0 322.346 -0.039 20 0 DBADRM O=C(CCC1CC1)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001433855072 1002072952 /nfs/dbraw/zinc/07/29/52/1002072952.db2.gz DBSMAOBFKCLBEP-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1CCC2(C1)OCCO2 ZINC001433862865 1002079099 /nfs/dbraw/zinc/07/90/99/1002079099.db2.gz HZFPZUOJBRGYGP-VIFPVBQESA-N -1 0 312.326 -0.119 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC001433899448 1002102499 /nfs/dbraw/zinc/10/24/99/1002102499.db2.gz SUHSSYJBUFRAFI-HTQZYQBOSA-N -1 0 308.294 -0.507 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001433905923 1002103578 /nfs/dbraw/zinc/10/35/78/1002103578.db2.gz KSCMSLVWKMQTLM-QMMMGPOBSA-N -1 0 318.355 -0.885 20 0 DBADRM CC(C)OC(=O)CN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001591675629 1016569943 /nfs/dbraw/zinc/56/99/43/1016569943.db2.gz FNKUTCHSQDDGQP-AWEZNQCLSA-N -1 0 300.355 -0.201 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001591676009 1016570049 /nfs/dbraw/zinc/57/00/49/1016570049.db2.gz PDEBMIDYIVGDJW-UWVGGRQHSA-N -1 0 314.338 -0.234 20 0 DBADRM CC(C)OC(=O)CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001591675630 1016570127 /nfs/dbraw/zinc/57/01/27/1016570127.db2.gz FNKUTCHSQDDGQP-CQSZACIVSA-N -1 0 300.355 -0.201 20 0 DBADRM C[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)[C@H](C(N)=O)C1 ZINC001433925440 1002119993 /nfs/dbraw/zinc/11/99/93/1002119993.db2.gz KNEGBWAFWHJBDM-WPRPVWTQSA-N -1 0 303.322 -0.251 20 0 DBADRM O=C(c1c(F)cncc1F)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001433938563 1002126054 /nfs/dbraw/zinc/12/60/54/1002126054.db2.gz SYLAHZZQRVATLM-UHFFFAOYSA-N -1 0 310.264 -0.003 20 0 DBADRM COc1nn(C)cc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001433937601 1002126848 /nfs/dbraw/zinc/12/68/48/1002126848.db2.gz PNKOECQVOLWGLK-UHFFFAOYSA-N -1 0 307.314 -0.934 20 0 DBADRM O=C(c1cnn(CCF)c1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001433939681 1002127218 /nfs/dbraw/zinc/12/72/18/1002127218.db2.gz WPVXBAQWZPCTBI-UHFFFAOYSA-N -1 0 309.305 -0.511 20 0 DBADRM CC(C)(C(=O)N1CCC(O)(c2nnn[n-]2)CC1)c1cnc[nH]1 ZINC001433937635 1002127428 /nfs/dbraw/zinc/12/74/28/1002127428.db2.gz PUCZTUROZWRYBY-UHFFFAOYSA-N -1 0 305.342 -0.289 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001433942740 1002128299 /nfs/dbraw/zinc/12/82/99/1002128299.db2.gz IWCKRXZMEXGJEH-VIFPVBQESA-N -1 0 314.367 -0.349 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001433947304 1002131324 /nfs/dbraw/zinc/13/13/24/1002131324.db2.gz OTLMQIOJHJWZKI-SSDOTTSWSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@]2(CCCOC2)O1 ZINC001433952006 1002132654 /nfs/dbraw/zinc/13/26/54/1002132654.db2.gz WVTAPPSAZILSJN-ZANVPECISA-N -1 0 312.326 -0.514 20 0 DBADRM CS(=O)(=O)[N-]C(=O)C1(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591679284 1016573824 /nfs/dbraw/zinc/57/38/24/1016573824.db2.gz XVABZQSZHGVCFH-UHFFFAOYSA-N -1 0 307.335 -0.026 20 0 DBADRM O=C(Cc1nnc(C2CCOCC2)[nH]1)NCCc1nc(=O)o[n-]1 ZINC001433965732 1002139069 /nfs/dbraw/zinc/13/90/69/1002139069.db2.gz UJNZGCVFJXQFSH-UHFFFAOYSA-N -1 0 322.325 -0.724 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N(C)CCC(N)=O)cc2=O)n1 ZINC001433971059 1002141351 /nfs/dbraw/zinc/14/13/51/1002141351.db2.gz ADIYHWIYBFWTOG-UHFFFAOYSA-N -1 0 318.337 -0.480 20 0 DBADRM NC(=O)N1CC[C@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001433972519 1002144035 /nfs/dbraw/zinc/14/40/35/1002144035.db2.gz DITJGLMRDDLSEG-MRVPVSSYSA-N -1 0 304.310 -0.847 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@H]2CCN(C(N)=O)C2)cc1=O ZINC001433972794 1002144568 /nfs/dbraw/zinc/14/45/68/1002144568.db2.gz GNYWVCCCSGPCBO-LLVKDONJSA-N -1 0 323.397 -0.108 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(=O)N(CCC(F)(F)F)C1 ZINC001433992779 1002153666 /nfs/dbraw/zinc/15/36/66/1002153666.db2.gz KVISHXIKJBRHOG-UHFFFAOYSA-N -1 0 323.231 -0.730 20 0 DBADRM COC[C@@]1(CO)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001433996096 1002158965 /nfs/dbraw/zinc/15/89/65/1002158965.db2.gz RHPMCKBPIUKCEQ-ZDUSSCGKSA-N -1 0 314.342 -0.673 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)N2CC(O)C2)cc1-c1nnn[n-]1 ZINC001591702413 1016577297 /nfs/dbraw/zinc/57/72/97/1016577297.db2.gz CWEVPRNFCPFAAE-UHFFFAOYSA-N -1 0 308.323 -0.494 20 0 DBADRM CSC[C@@H](C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591696267 1016578914 /nfs/dbraw/zinc/57/89/14/1016578914.db2.gz QTAHFPKZJYXPBM-SSDOTTSWSA-N -1 0 311.375 -0.491 20 0 DBADRM CS[C@H]1C[C@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001591702828 1016578957 /nfs/dbraw/zinc/57/89/57/1016578957.db2.gz ZYHDUTMWOJMAJP-LJGSYFOKSA-N -1 0 323.382 -0.430 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@@H](C)C1=O ZINC001591739284 1016580380 /nfs/dbraw/zinc/58/03/80/1016580380.db2.gz UROOABGCWLPTAI-HTQZYQBOSA-N -1 0 304.314 -0.858 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001434037231 1002184726 /nfs/dbraw/zinc/18/47/26/1002184726.db2.gz FCUOZVDFMBVUPM-WPPNPWJKSA-N -1 0 301.262 -0.331 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001434043578 1002189633 /nfs/dbraw/zinc/18/96/33/1002189633.db2.gz SPIXGZNSNBEMEI-IUYQGCFVSA-N -1 0 309.204 -0.926 20 0 DBADRM COc1cccc(C2=NO[C@H](C(=O)Nn3c(=O)[n-][nH]c3=O)C2)c1 ZINC001434045857 1002193129 /nfs/dbraw/zinc/19/31/29/1002193129.db2.gz YVCPJNUXUYLTKV-JTQLQIEISA-N -1 0 319.277 -0.039 20 0 DBADRM Cc1cnc(CN[C@@H](C)CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001425584413 1002209108 /nfs/dbraw/zinc/20/91/08/1002209108.db2.gz GZZVIZZRVOTUOC-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM COc1ccc([C@@H](CO)CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC001434062433 1002213482 /nfs/dbraw/zinc/21/34/82/1002213482.db2.gz DKYHGWNOJOSQOS-SECBINFHSA-N -1 0 320.305 -0.203 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(Cn2cccn2)c(=O)n1C1CC1 ZINC001591795282 1016596671 /nfs/dbraw/zinc/59/66/71/1016596671.db2.gz NOFZWOGYEFZFKY-UHFFFAOYSA-N -1 0 314.309 -0.464 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)CCO1 ZINC001591774144 1016587443 /nfs/dbraw/zinc/58/74/43/1016587443.db2.gz WLROQGMIJJNCRZ-QMMMGPOBSA-N -1 0 310.339 -0.329 20 0 DBADRM C[C@H]1CN(c2ccnc(-c3nnn[n-]3)n2)CCN1S(C)(=O)=O ZINC001591774096 1016589077 /nfs/dbraw/zinc/58/90/77/1016589077.db2.gz SKEQAYGIBVYCBR-QMMMGPOBSA-N -1 0 324.370 -0.873 20 0 DBADRM CC(C)NC(=O)[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001434086946 1002242349 /nfs/dbraw/zinc/24/23/49/1002242349.db2.gz YXPMRVWVMSIQMQ-MRVPVSSYSA-N -1 0 306.326 -0.900 20 0 DBADRM CCCC(=O)N[C@@H]1C[C@H](C)N(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001425637635 1002258120 /nfs/dbraw/zinc/25/81/20/1002258120.db2.gz MIBOGTXOWBIPTL-DTWKUNHWSA-N -1 0 311.342 -0.405 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC[C@@H]2CCCO2)c(=O)n1C ZINC001591793780 1016593209 /nfs/dbraw/zinc/59/32/09/1016593209.db2.gz ISRFIKXICZZWHS-VIFPVBQESA-N -1 0 306.326 -0.395 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@]1(O)CCOC1 ZINC001414232086 1002265715 /nfs/dbraw/zinc/26/57/15/1002265715.db2.gz JYLVTGXZODMYJO-XTZNXHDOSA-N -1 0 314.429 -0.132 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC(=O)CC2CC2)c(=O)n1C ZINC001591794680 1016596944 /nfs/dbraw/zinc/59/69/44/1016596944.db2.gz LHZZNXSZZDYRME-UHFFFAOYSA-N -1 0 304.310 -0.595 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001414246591 1002279089 /nfs/dbraw/zinc/27/90/89/1002279089.db2.gz GAHRMVQWHIZQHK-RKDXNWHRSA-N -1 0 309.413 -0.393 20 0 DBADRM CO[C@](C)(CO)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001434127865 1002279668 /nfs/dbraw/zinc/27/96/68/1002279668.db2.gz XQGJFYPCGALDOT-AWEZNQCLSA-N -1 0 322.321 -0.607 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001414246584 1002281071 /nfs/dbraw/zinc/28/10/71/1002281071.db2.gz GAHRMVQWHIZQHK-BDAKNGLRSA-N -1 0 309.413 -0.393 20 0 DBADRM O=c1[nH]cnc2c1CN(S(=O)(=O)CCn1ccnc1)CC2 ZINC001414246660 1002282037 /nfs/dbraw/zinc/28/20/37/1002282037.db2.gz LSLSYFRVVVRUQQ-UHFFFAOYSA-N -1 0 309.351 -0.233 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)C[C@@H]1COC(=O)C1)C(=O)[O-] ZINC001591878349 1016608317 /nfs/dbraw/zinc/60/83/17/1016608317.db2.gz LGDCXFSZSRWVLD-PELKAZGASA-N -1 0 301.295 -0.292 20 0 DBADRM Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001434144419 1002287670 /nfs/dbraw/zinc/28/76/70/1002287670.db2.gz IIOLJTVZKOKFFQ-SECBINFHSA-N -1 0 319.321 -0.418 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC2CCCC2)c(=O)n1CCO ZINC001591794022 1016598158 /nfs/dbraw/zinc/59/81/58/1016598158.db2.gz UTZGZRFHXUFMHJ-UHFFFAOYSA-N -1 0 320.353 -0.319 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N[C@@H]2C[C@H](C)OC2=O)CC1 ZINC001414274741 1002303121 /nfs/dbraw/zinc/30/31/21/1002303121.db2.gz DVUGIHTZTFDLFS-DTWKUNHWSA-N -1 0 305.352 -0.047 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N(C)CC(=O)N(C)C ZINC001591833447 1016598369 /nfs/dbraw/zinc/59/83/69/1016598369.db2.gz AFXBNHZTECCNHZ-UHFFFAOYSA-N -1 0 319.325 -0.564 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001591820608 1016598489 /nfs/dbraw/zinc/59/84/89/1016598489.db2.gz NJQGLVPEGLGMCI-ZJUUUORDSA-N -1 0 307.368 -0.052 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001591820562 1016598845 /nfs/dbraw/zinc/59/88/45/1016598845.db2.gz LEGWEQBRDCTKDW-GFCCVEGCSA-N -1 0 318.351 -0.358 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CC(C)(CO)CO ZINC001414271459 1002300949 /nfs/dbraw/zinc/30/09/49/1002300949.db2.gz LMWZHOCNNVDVLH-UHFFFAOYSA-N -1 0 307.324 -0.665 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)NCc2nc(=O)o[n-]2)CC1 ZINC001414275615 1002301503 /nfs/dbraw/zinc/30/15/03/1002301503.db2.gz OSIWDNIMQDZSKP-UHFFFAOYSA-N -1 0 305.312 -0.874 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@H]1C[C@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001591846079 1016600357 /nfs/dbraw/zinc/60/03/57/1016600357.db2.gz JMAPHXZPYNNMDK-CKYFFXLPSA-N -1 0 322.365 -0.080 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001591843867 1016600668 /nfs/dbraw/zinc/60/06/68/1016600668.db2.gz KNFKAPSERPFJQD-LDYMZIIASA-N -1 0 322.383 -0.955 20 0 DBADRM CC(C)[C@@H](O)C(=O)NC/C=C\CNc1ccnc(C(=O)[O-])n1 ZINC001591845903 1016601001 /nfs/dbraw/zinc/60/10/01/1016601001.db2.gz GHSUQZAONKREQY-DLRQAJBASA-N -1 0 308.338 -0.302 20 0 DBADRM CSCC[C@H](NC(=O)[C@@H]1NC(=O)O[C@H]1C)c1nnn[n-]1 ZINC001434198182 1002316167 /nfs/dbraw/zinc/31/61/67/1002316167.db2.gz AAXATXOEEHONMP-LYFYHCNISA-N -1 0 300.344 -0.393 20 0 DBADRM Cc1noc(CNS(=O)(=O)CCOC2CCOCC2)n1 ZINC001414308818 1002316584 /nfs/dbraw/zinc/31/65/84/1002316584.db2.gz RUZYVRNUYUQGKO-UHFFFAOYSA-N -1 0 305.356 -0.007 20 0 DBADRM O=C1CCCN1[N-]S(=O)(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001414318351 1002323375 /nfs/dbraw/zinc/32/33/75/1002323375.db2.gz JYSKZAWIZIYCOL-UHFFFAOYSA-N -1 0 311.319 -0.167 20 0 DBADRM CC(C)C(=O)N1CC[C@](C)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001434214551 1002325453 /nfs/dbraw/zinc/32/54/53/1002325453.db2.gz QCHNDNLMUPTAGX-CQSZACIVSA-N -1 0 323.353 -0.093 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCN(Cc2cn[nH]c2)CC1)C(=O)[O-] ZINC001591870047 1016603446 /nfs/dbraw/zinc/60/34/46/1016603446.db2.gz GUMWZZYTUQNMCU-AWEZNQCLSA-N -1 0 323.397 -0.247 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCN([C@H]2CCOC2)CC1)C(=O)[O-] ZINC001591869744 1016604000 /nfs/dbraw/zinc/60/40/00/1016604000.db2.gz BUJUFFDCGNUOAG-JSGCOSHPSA-N -1 0 313.398 -0.382 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001591872546 1016604331 /nfs/dbraw/zinc/60/43/31/1016604331.db2.gz PQKJSYOSDOFCOO-APPZFPTMSA-N -1 0 309.340 -0.812 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCc2cnc(N)nc2C1)C(=O)[O-] ZINC001591870847 1016604703 /nfs/dbraw/zinc/60/47/03/1016604703.db2.gz RMGDFBOJSOKOPU-LBPRGKRZSA-N -1 0 307.354 -0.358 20 0 DBADRM CCC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)OC ZINC001414353117 1002340321 /nfs/dbraw/zinc/34/03/21/1002340321.db2.gz ZZZACUQIDUTSIG-CVJBHZAOSA-N -1 0 315.417 -0.263 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@@H]1CCC(=O)NC1)C(=O)[O-] ZINC001591873765 1016605592 /nfs/dbraw/zinc/60/55/92/1016605592.db2.gz WIYBIEYFSNPGGG-KCJUWKMLSA-N -1 0 300.311 -0.719 20 0 DBADRM CCN1C[C@H](S(=O)(=O)[N-]CC(F)(F)C(=O)OC)CC1=O ZINC001414352995 1002341332 /nfs/dbraw/zinc/34/13/32/1002341332.db2.gz LGIFKQGNRBAFOR-SSDOTTSWSA-N -1 0 314.310 -0.665 20 0 DBADRM Cn1ncc(C(=O)[N-]n2ccc(=O)[nH]c2=O)c1Br ZINC001434246509 1002341693 /nfs/dbraw/zinc/34/16/93/1002341693.db2.gz TZMIXNBEGZIEMI-UHFFFAOYSA-N -1 0 314.099 -0.171 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCN([C@@H]2CCOC2)CC1)C(=O)[O-] ZINC001591869745 1016605828 /nfs/dbraw/zinc/60/58/28/1016605828.db2.gz BUJUFFDCGNUOAG-OCCSQVGLSA-N -1 0 313.398 -0.382 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1cc(CN2CCCC2)on1 ZINC001434245321 1002343027 /nfs/dbraw/zinc/34/30/27/1002343027.db2.gz QELZTMQOWSYTKC-UHFFFAOYSA-N -1 0 305.294 -0.083 20 0 DBADRM CCCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC001414357512 1002345721 /nfs/dbraw/zinc/34/57/21/1002345721.db2.gz PVGOQRNSAMBDFJ-UWVGGRQHSA-N -1 0 310.354 -0.085 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)CCN1CCCC1=O)C(=O)[O-] ZINC001591878899 1016607290 /nfs/dbraw/zinc/60/72/90/1016607290.db2.gz RVXLNHNZQHMZDS-ZDUSSCGKSA-N -1 0 314.338 -0.233 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)CN1CCCNC1=O)C(=O)[O-] ZINC001591878384 1016608149 /nfs/dbraw/zinc/60/81/49/1016608149.db2.gz LNTPVUZOYFXGAX-NSHDSACASA-N -1 0 315.326 -0.830 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001591894617 1016610488 /nfs/dbraw/zinc/61/04/88/1016610488.db2.gz RSISGJXMGFELHI-JQWIXIFHSA-N -1 0 323.353 -0.090 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCC[C@@H](CO)[C@H]2CO)n1 ZINC001591887211 1016610697 /nfs/dbraw/zinc/61/06/97/1016610697.db2.gz QILBIEGDBUTDEO-GXSJLCMTSA-N -1 0 305.342 -0.465 20 0 DBADRM CC(C)[C@H](NC(=O)Cn1nnnc1-c1ccccn1)C(=O)[O-] ZINC001591886039 1016611382 /nfs/dbraw/zinc/61/13/82/1016611382.db2.gz WOYSFGRLNHYABI-NSHDSACASA-N -1 0 304.310 -0.040 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H]2CCS(=O)(=O)C2)n1 ZINC001591883469 1016611414 /nfs/dbraw/zinc/61/14/14/1016611414.db2.gz OGWWAFDSORAIMO-VIFPVBQESA-N -1 0 323.382 -0.164 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC001414445341 1002374574 /nfs/dbraw/zinc/37/45/74/1002374574.db2.gz BTRQYGMUTSXOSI-JTQLQIEISA-N -1 0 323.357 -0.984 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1nnc2n1CCCCC2 ZINC001414447904 1002376845 /nfs/dbraw/zinc/37/68/45/1002376845.db2.gz PULBBLIITVMAAF-UHFFFAOYSA-N -1 0 305.346 -0.246 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N[C@@H]2CCCS(=O)(=O)C2)n1 ZINC001591893698 1016612242 /nfs/dbraw/zinc/61/22/42/1016612242.db2.gz HLZOTJJDBUULKX-MRVPVSSYSA-N -1 0 309.355 -0.046 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NCC(=O)N=S(C)(C)=O)n1 ZINC001591893488 1016612500 /nfs/dbraw/zinc/61/25/00/1016612500.db2.gz JXWOMZDPTYJOBW-UHFFFAOYSA-N -1 0 310.343 -0.369 20 0 DBADRM CC(C)[C@H](NC(=O)Cn1cc(C2(F)COC2)nn1)C(=O)[O-] ZINC001591885200 1016613015 /nfs/dbraw/zinc/61/30/15/1016613015.db2.gz CQYXCXHXSSXRLL-JTQLQIEISA-N -1 0 300.290 -0.302 20 0 DBADRM CC(C)[C@H](NC(=O)Cn1ccnc1CN1CCOCC1)C(=O)[O-] ZINC001591885492 1016613159 /nfs/dbraw/zinc/61/31/59/1016613159.db2.gz JYGFSXJMLWWSHI-AWEZNQCLSA-N -1 0 324.381 -0.059 20 0 DBADRM COC(=O)[C@H](Cc1cncs1)NC(=O)CCc1nnn[n-]1 ZINC001434351381 1002408155 /nfs/dbraw/zinc/40/81/55/1002408155.db2.gz UMKYYXOSYRYXSG-QMMMGPOBSA-N -1 0 310.339 -0.511 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2C[C@@H]3COC[C@@H]3C2)c1 ZINC001434351576 1002409250 /nfs/dbraw/zinc/40/92/50/1002409250.db2.gz ZIUZKOVBKFBMQE-DTORHVGOSA-N -1 0 312.347 -0.242 20 0 DBADRM Cc1ccc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)nc1C ZINC001425777380 1002418673 /nfs/dbraw/zinc/41/86/73/1002418673.db2.gz LURYUSYWAPKZIG-SNVBAGLBSA-N -1 0 320.353 -0.597 20 0 DBADRM COC[C@@H](NC(=O)c1cc([C@H]2CCCN2C)n[nH]1)c1nnn[n-]1 ZINC001434365584 1002419682 /nfs/dbraw/zinc/41/96/82/1002419682.db2.gz YFTOHLPCIPUDCV-GHMZBOCLSA-N -1 0 320.357 -0.193 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CC(c2cccnc2)=NO1)c1nnn[n-]1 ZINC001434365649 1002420526 /nfs/dbraw/zinc/42/05/26/1002420526.db2.gz YTPQADOIJOVOCU-MNOVXSKESA-N -1 0 317.309 -0.408 20 0 DBADRM C[C@H](CCNC(=O)C(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001495412291 1016619897 /nfs/dbraw/zinc/61/98/97/1016619897.db2.gz GJAVZOLTSCGZQA-SCSAIBSYSA-N -1 0 305.241 -0.828 20 0 DBADRM COC[C@H](NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1)c1nnn[n-]1 ZINC001434365588 1002420808 /nfs/dbraw/zinc/42/08/08/1002420808.db2.gz YFTOHLPCIPUDCV-QWRGUYRKSA-N -1 0 320.357 -0.193 20 0 DBADRM O=C(NC[C@H]1COCCO1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001414542116 1002422359 /nfs/dbraw/zinc/42/23/59/1002422359.db2.gz KNEAXEJTQZKCFJ-UWVGGRQHSA-N -1 0 311.342 -0.185 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC[C@H](C2OCCO2)C1 ZINC001434371218 1002425349 /nfs/dbraw/zinc/42/53/49/1002425349.db2.gz LBEKPJKWBFVDDR-VIFPVBQESA-N -1 0 304.306 -0.142 20 0 DBADRM COC(=O)N[C@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001434372633 1002428295 /nfs/dbraw/zinc/42/82/95/1002428295.db2.gz LLJDYLFOHBFVRA-LURJTMIESA-N -1 0 301.328 -0.441 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001434377643 1002431447 /nfs/dbraw/zinc/43/14/47/1002431447.db2.gz GLYBYOUMLIHVHL-SECBINFHSA-N -1 0 324.362 -0.328 20 0 DBADRM O=C(CCc1nnn[n-]1)NCC1(O)CCC2(CC1)OCCO2 ZINC001434379369 1002433876 /nfs/dbraw/zinc/43/38/76/1002433876.db2.gz ZHDKCKSFCLKVNM-UHFFFAOYSA-N -1 0 311.342 -0.703 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccoc1C1CC1 ZINC001425794330 1002440669 /nfs/dbraw/zinc/44/06/69/1002440669.db2.gz IBVAZVPGDLERLL-VIFPVBQESA-N -1 0 321.337 -0.139 20 0 DBADRM Cn1nccc1[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC001434396694 1002445105 /nfs/dbraw/zinc/44/51/05/1002445105.db2.gz QAVKFSGISFATOQ-MRVPVSSYSA-N -1 0 306.282 -0.770 20 0 DBADRM Cn1nccc1[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CCO1 ZINC001434395550 1002445451 /nfs/dbraw/zinc/44/54/51/1002445451.db2.gz DAIHDTQFBFFODN-SECBINFHSA-N -1 0 308.298 -0.977 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(N2CCCOC2=O)CC1 ZINC001434400124 1002447174 /nfs/dbraw/zinc/44/71/74/1002447174.db2.gz MXGKOUNUIAYJIR-UHFFFAOYSA-N -1 0 323.309 -0.270 20 0 DBADRM CO[C@]1(C(=O)N[C@H](C)c2nn(C)cc2[O-])CCS(=O)(=O)C1 ZINC001434407664 1002453651 /nfs/dbraw/zinc/45/36/51/1002453651.db2.gz PJCGHGBCVHHCBN-PRHODGIISA-N -1 0 317.367 -0.493 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H](O)[C@H](F)C2)c1 ZINC001434412903 1002458224 /nfs/dbraw/zinc/45/82/24/1002458224.db2.gz BRDOHXPRFVLICX-KOLCDFICSA-N -1 0 318.326 -0.416 20 0 DBADRM Cc1cc(NC(=O)Cn2cncc(-c3nnn[n-]3)c2=O)on1 ZINC001592020196 1016624479 /nfs/dbraw/zinc/62/44/79/1016624479.db2.gz RUOINKXGUFTMRZ-UHFFFAOYSA-N -1 0 302.254 -0.641 20 0 DBADRM CS(=O)(=O)c1nnc(NC(=O)c2ncc(Cl)cn2)[n-]1 ZINC001434428495 1002467214 /nfs/dbraw/zinc/46/72/14/1002467214.db2.gz QDMHOVLBMPBTRT-UHFFFAOYSA-N -1 0 302.703 -0.096 20 0 DBADRM Cc1cc(NC(=O)CCn2cnc(-c3nnn[n-]3)cc2=O)no1 ZINC001592017333 1016625475 /nfs/dbraw/zinc/62/54/75/1016625475.db2.gz NUYARWIGGTYICO-UHFFFAOYSA-N -1 0 316.281 -0.251 20 0 DBADRM CC(C)c1nnc(CN2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]1 ZINC001592019418 1016625533 /nfs/dbraw/zinc/62/55/33/1016625533.db2.gz DOSQPFORUCBAGC-UWVGGRQHSA-N -1 0 307.354 -0.051 20 0 DBADRM CC(C)n1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001592122617 1016630246 /nfs/dbraw/zinc/63/02/46/1016630246.db2.gz SOSSCJYNOYZMQC-VHSXEESVSA-N -1 0 321.337 -0.480 20 0 DBADRM Cc1ccc(CNC(=O)c2n[nH]c(=O)[n-]2)cc1-c1nn[nH]n1 ZINC001592165785 1016630921 /nfs/dbraw/zinc/63/09/21/1016630921.db2.gz OXVFCTOOXKCJAI-UHFFFAOYSA-N -1 0 300.282 -0.071 20 0 DBADRM CC[C@@](C)([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)OC ZINC001434549615 1002518442 /nfs/dbraw/zinc/51/84/42/1002518442.db2.gz OXPDFVWNMVYHRM-DYBLOJMWSA-N -1 0 315.417 -0.263 20 0 DBADRM CC(C)n1cc(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])nn1 ZINC001592127100 1016632992 /nfs/dbraw/zinc/63/29/92/1016632992.db2.gz YRSSCTCFZUHHHG-UHFFFAOYSA-N -1 0 314.327 -0.241 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C(N)=O)oc1Cl ZINC001434560582 1002526912 /nfs/dbraw/zinc/52/69/12/1002526912.db2.gz CFPDUOJWZHMTMK-SCSAIBSYSA-N -1 0 310.715 -0.128 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C)/C=C/C(=O)[O-] ZINC001592200454 1016633972 /nfs/dbraw/zinc/63/39/72/1016633972.db2.gz HIFLIDQZQAKEMH-ORAHPGNNSA-N -1 0 322.383 -0.524 20 0 DBADRM CC(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001414749793 1002529218 /nfs/dbraw/zinc/52/92/18/1002529218.db2.gz IYYLNCSPTDWYRI-SKDRFNHKSA-N -1 0 322.369 -0.560 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)NCc1ccc(=O)[nH]n1 ZINC001434571577 1002534287 /nfs/dbraw/zinc/53/42/87/1002534287.db2.gz CPJDGWBAHMZBHZ-SFHVURJKSA-N -1 0 309.373 -0.909 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC001592190881 1016635368 /nfs/dbraw/zinc/63/53/68/1016635368.db2.gz HHHXJQOLIOCPFQ-KZUAUGPASA-N -1 0 316.339 -0.934 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC(C)(CO)CO ZINC001434572128 1002537200 /nfs/dbraw/zinc/53/72/00/1002537200.db2.gz HCOFOJVVVSBORS-SFHVURJKSA-N -1 0 316.445 -0.292 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H](CF)C(=O)OC ZINC001434572086 1002538165 /nfs/dbraw/zinc/53/81/65/1002538165.db2.gz LQZFYLDOQASZTO-SSDOTTSWSA-N -1 0 309.271 -0.144 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)Cn1nnc2ccccc2c1=O ZINC001592203216 1016635481 /nfs/dbraw/zinc/63/54/81/1016635481.db2.gz YNZVCVXABVAUMF-XCODYQFDSA-N -1 0 302.290 -0.063 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC001592205587 1016635562 /nfs/dbraw/zinc/63/55/62/1016635562.db2.gz PVCPAXUEKRLNIL-KVFVURRZSA-N -1 0 303.274 -0.025 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001592192461 1016635754 /nfs/dbraw/zinc/63/57/54/1016635754.db2.gz MVXJJYXXEFJXLE-ZKEFAPGFSA-N -1 0 306.322 -0.438 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC001592205583 1016636098 /nfs/dbraw/zinc/63/60/98/1016636098.db2.gz PVCPAXUEKRLNIL-BIPIGHIPSA-N -1 0 303.274 -0.025 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C)/C=C/C(=O)[O-] ZINC001592200456 1016636307 /nfs/dbraw/zinc/63/63/07/1016636307.db2.gz HIFLIDQZQAKEMH-YEZKRMTDSA-N -1 0 322.383 -0.524 20 0 DBADRM CC(C)C(=O)N1CC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001414786784 1002548398 /nfs/dbraw/zinc/54/83/98/1002548398.db2.gz LWEGBODRESNJID-VIFPVBQESA-N -1 0 323.353 -0.412 20 0 DBADRM Cc1cccc(-c2nn[nH]n2)c1S(=O)(=O)N1CC(C(=O)[O-])C1 ZINC001592214230 1016637495 /nfs/dbraw/zinc/63/74/95/1016637495.db2.gz NWFUCKTVYTZYGC-UHFFFAOYSA-N -1 0 323.334 -0.120 20 0 DBADRM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3nnn(C)n3)ccc21 ZINC001434609938 1002553785 /nfs/dbraw/zinc/55/37/85/1002553785.db2.gz GREICLALYOJWAR-UHFFFAOYSA-N -1 0 322.350 -0.080 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001434613522 1002553998 /nfs/dbraw/zinc/55/39/98/1002553998.db2.gz RXVPVMDKYZVEKY-RKDXNWHRSA-N -1 0 305.381 -0.535 20 0 DBADRM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2nnn(C)n2)c1 ZINC001434613848 1002554591 /nfs/dbraw/zinc/55/45/91/1002554591.db2.gz VPLCLZKKYIBWRE-UHFFFAOYSA-N -1 0 311.323 -0.274 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@]2(C)CCNC2=O)on1 ZINC001434634207 1002558986 /nfs/dbraw/zinc/55/89/86/1002558986.db2.gz GXVHQAMVCVOUFQ-SNVBAGLBSA-N -1 0 303.296 -0.982 20 0 DBADRM C[C@@H](CC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1)NC(N)=O ZINC001592228183 1016639018 /nfs/dbraw/zinc/63/90/18/1016639018.db2.gz ZZRCGVAHRFWUQM-UWVGGRQHSA-N -1 0 301.343 -0.084 20 0 DBADRM O=C1N[C@@H](C2CCN(S(=O)(=O)c3ncc[n-]3)CC2)CO1 ZINC001434643852 1002564342 /nfs/dbraw/zinc/56/43/42/1002564342.db2.gz QJWPWUKTRNLAIH-SECBINFHSA-N -1 0 300.340 -0.081 20 0 DBADRM Cc1ccn(CN2CCO[C@H](CF)C2)c(=O)c1-c1nnn[n-]1 ZINC001592267354 1016640474 /nfs/dbraw/zinc/64/04/74/1016640474.db2.gz QEYOSPGZNWNEBR-SNVBAGLBSA-N -1 0 308.317 -0.035 20 0 DBADRM Cc1ccn(CN2CC(=O)N[C@H](C)C2)c(=O)c1-c1nnn[n-]1 ZINC001592268207 1016641684 /nfs/dbraw/zinc/64/16/84/1016641684.db2.gz YZUWLKAPYBOWMF-SECBINFHSA-N -1 0 303.326 -0.885 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001434729857 1002580096 /nfs/dbraw/zinc/58/00/96/1002580096.db2.gz JOPRQEPWOUXKNF-SECBINFHSA-N -1 0 316.387 -0.454 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC001434730181 1002580495 /nfs/dbraw/zinc/58/04/95/1002580495.db2.gz QADHTYAMQASCLE-SSDOTTSWSA-N -1 0 302.360 -0.798 20 0 DBADRM Cc1ccn(CN2CCNC(=O)CC2)c(=O)c1-c1nnn[n-]1 ZINC001592266720 1016642821 /nfs/dbraw/zinc/64/28/21/1016642821.db2.gz GCFKSCJRBOXFIZ-UHFFFAOYSA-N -1 0 303.326 -0.884 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccncc1 ZINC001592291848 1016643544 /nfs/dbraw/zinc/64/35/44/1016643544.db2.gz XWEHVMUSRGMZHH-LKFCYVNXSA-N -1 0 320.305 -0.514 20 0 DBADRM O=C(CCC1CC1)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001414939914 1002600587 /nfs/dbraw/zinc/60/05/87/1002600587.db2.gz ZVRHYFVPQJIATA-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1n[nH]cc1CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001592331819 1016646620 /nfs/dbraw/zinc/64/66/20/1016646620.db2.gz WFPDEPBYSLONND-ZETCQYMHSA-N -1 0 302.302 -0.633 20 0 DBADRM Cc1nnc(COC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)[nH]1 ZINC001592326972 1016646954 /nfs/dbraw/zinc/64/69/54/1016646954.db2.gz SEXRSSGNKCLPOE-YFKPBYRVSA-N -1 0 304.274 -0.811 20 0 DBADRM Cc1n[nH]c([N-]S(=O)(=O)N=S(C)(C)=O)c1-c1nn[nH]n1 ZINC001592331404 1016647251 /nfs/dbraw/zinc/64/72/51/1016647251.db2.gz FKBSQSIWVOWBPM-UHFFFAOYSA-N -1 0 320.360 -0.717 20 0 DBADRM Cc1nnc(COC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)[nH]1 ZINC001592326971 1016648276 /nfs/dbraw/zinc/64/82/76/1016648276.db2.gz SEXRSSGNKCLPOE-RXMQYKEDSA-N -1 0 304.274 -0.811 20 0 DBADRM O=C(CCCF)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001415012459 1002632234 /nfs/dbraw/zinc/63/22/34/1002632234.db2.gz GFJZLQVYACRQIO-OCAPTIKFSA-N -1 0 315.305 -0.798 20 0 DBADRM Cc1nc(-c2nn[nH]n2)cc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC001592341113 1016649751 /nfs/dbraw/zinc/64/97/51/1016649751.db2.gz LVDUNNZINWCEPU-AMIZOPFISA-N -1 0 317.309 -0.497 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC(C(=O)NCCCO)CC1 ZINC001592341924 1016651800 /nfs/dbraw/zinc/65/18/00/1016651800.db2.gz JRTVKIJDYNXFHV-JTQLQIEISA-N -1 0 300.355 -0.166 20 0 DBADRM C[C@@H]1c2nncn2CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001435894820 1002663677 /nfs/dbraw/zinc/66/36/77/1002663677.db2.gz XMTBVAYFHKBIIV-MRVPVSSYSA-N -1 0 314.309 -0.734 20 0 DBADRM Cc1nc(=NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)n(C)[nH]1 ZINC001592378546 1016653799 /nfs/dbraw/zinc/65/37/99/1016653799.db2.gz ARZKWPMPIOZGLM-UHFFFAOYSA-N -1 0 300.282 -0.317 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NC[C@]1(CO)COCC2(CCC2)N1C ZINC001592351018 1016655123 /nfs/dbraw/zinc/65/51/23/1016655123.db2.gz AUYDELWVSNKBAK-ABAIWWIYSA-N -1 0 314.382 -0.171 20 0 DBADRM C[C@@H](CNC(=O)CC1CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415138352 1002694064 /nfs/dbraw/zinc/69/40/64/1002694064.db2.gz OLRMYYNZHBYOLP-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)CC2CS(=O)(=O)C2)CC1 ZINC001592410751 1016657329 /nfs/dbraw/zinc/65/73/29/1016657329.db2.gz ORVPTWMDMSMLMX-SNVBAGLBSA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001592392146 1016658382 /nfs/dbraw/zinc/65/83/82/1016658382.db2.gz ZOFBKONQWOJWFH-SSDOTTSWSA-N -1 0 318.355 -0.534 20 0 DBADRM C[C@@H](CC(=O)[O-])c1nc(CCN(C)S(=O)(=O)N(C)C)no1 ZINC001592424689 1016661934 /nfs/dbraw/zinc/66/19/34/1016661934.db2.gz VZROKJYRRVSQBD-QMMMGPOBSA-N -1 0 320.371 -0.072 20 0 DBADRM Cc1nccn1CCCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001592419068 1016662405 /nfs/dbraw/zinc/66/24/05/1016662405.db2.gz VWALZKKQHAAFCH-UHFFFAOYSA-N -1 0 316.329 -0.830 20 0 DBADRM Cc1nn(C[C@@H]2C[C@H]3COC[C@@H]3O2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592435918 1016664049 /nfs/dbraw/zinc/66/40/49/1016664049.db2.gz FJYVVZQWNZMUHD-DCAQKATOSA-N -1 0 318.337 -0.156 20 0 DBADRM Cc1nn(C)c(C)c1OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001592430520 1016664400 /nfs/dbraw/zinc/66/44/00/1016664400.db2.gz LIMWWAYFXGFUQS-MRVPVSSYSA-N -1 0 317.313 -0.025 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H](C)C1CC1 ZINC001415226648 1002758887 /nfs/dbraw/zinc/75/88/87/1002758887.db2.gz VPQOUALMOXDKSJ-BQBZGAKWSA-N -1 0 309.326 -0.437 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]c1n[nH]cc1-c1nn[nH]n1 ZINC001592435997 1016668827 /nfs/dbraw/zinc/66/88/27/1016668827.db2.gz LAWKHGXJLPPEDU-UHFFFAOYSA-N -1 0 309.315 -0.567 20 0 DBADRM CSCCC(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415234760 1002764518 /nfs/dbraw/zinc/76/45/18/1002764518.db2.gz ZWOMOSYIVGKZTO-ZETCQYMHSA-N -1 0 317.371 -0.937 20 0 DBADRM Cc1nn(CC(=O)[C@H]2CCOC2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592435949 1016670112 /nfs/dbraw/zinc/67/01/12/1016670112.db2.gz IMIDXHBPQGBNFL-VIFPVBQESA-N -1 0 304.310 -0.354 20 0 DBADRM Cc1nn(C[C@H]2CCS(=O)(=O)C2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592436105 1016670134 /nfs/dbraw/zinc/67/01/34/1016670134.db2.gz IAIHQJWOPDDEPM-SECBINFHSA-N -1 0 324.366 -0.525 20 0 DBADRM Cc1nn(CC(=O)NCC2CCC2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592438444 1016670306 /nfs/dbraw/zinc/67/03/06/1016670306.db2.gz AQKZIEBPSZNZBV-UHFFFAOYSA-N -1 0 317.353 -0.043 20 0 DBADRM Cc1nn(CCn2ccc(C)c(-c3nnn[n-]3)c2=O)c(=O)o1 ZINC001592437050 1016670612 /nfs/dbraw/zinc/67/06/12/1016670612.db2.gz IZOKTYFVAPMQAN-UHFFFAOYSA-N -1 0 303.282 -0.505 20 0 DBADRM Cc1nnc2c(NCCn3cnc(-c4nnn[n-]4)n3)nccn12 ZINC001592450382 1016671002 /nfs/dbraw/zinc/67/10/02/1016671002.db2.gz LNEDNTOAZGGUQL-UHFFFAOYSA-N -1 0 312.301 -0.684 20 0 DBADRM CC(C)CC(=O)N[C@H](C)[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001426395405 1002784845 /nfs/dbraw/zinc/78/48/45/1002784845.db2.gz DHTAJEJYMGLKPP-RKDXNWHRSA-N -1 0 313.358 -0.255 20 0 DBADRM C[C@H](CCCCO)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001592485207 1016673742 /nfs/dbraw/zinc/67/37/42/1016673742.db2.gz OHSVNXXUWQRHFV-MNOVXSKESA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)NC/C=C/CNc1ccnc(C(=O)[O-])n1 ZINC001592452170 1016673983 /nfs/dbraw/zinc/67/39/83/1016673983.db2.gz KZRJDEDPZBMHTF-HPOULIHZSA-N -1 0 321.337 -0.808 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001592451516 1016674826 /nfs/dbraw/zinc/67/48/26/1016674826.db2.gz DWBHNLCSTLMWMU-WCBMZHEXSA-N -1 0 321.337 -0.619 20 0 DBADRM CC(=O)N1CC[C@@H](CNC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001415285412 1002800588 /nfs/dbraw/zinc/80/05/88/1002800588.db2.gz DFGUJBPSKFJGSU-JTQLQIEISA-N -1 0 311.342 -0.546 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)NC(=O)C1(C)CC1 ZINC001426469077 1002805864 /nfs/dbraw/zinc/80/58/64/1002805864.db2.gz HFFGJRFNHYYRFK-BQBZGAKWSA-N -1 0 309.326 -0.294 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC[C@@H]([NH2+]Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001436845735 1002814533 /nfs/dbraw/zinc/81/45/33/1002814533.db2.gz XPGGSKJDTOFQGD-LLVKDONJSA-N -1 0 319.369 -0.231 20 0 DBADRM C[C@@](CCF)(NC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)[O-] ZINC001592498251 1016679069 /nfs/dbraw/zinc/67/90/69/1016679069.db2.gz QMGOCRIIUXQCOD-ZDUSSCGKSA-N -1 0 314.317 -0.300 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)C(C)(C)C(N)=O ZINC001592520992 1016684990 /nfs/dbraw/zinc/68/49/90/1016684990.db2.gz SIIYWZASYGUYGP-QMMMGPOBSA-N -1 0 323.353 -0.585 20 0 DBADRM C[C@H](CCNC(=O)c1cnn(C)c1)Nc1ccnc(C(=O)[O-])n1 ZINC001592520958 1016685710 /nfs/dbraw/zinc/68/57/10/1016685710.db2.gz RSKCBELJOUTJTR-SECBINFHSA-N -1 0 318.337 -0.049 20 0 DBADRM C[C@H](CCNC(=O)[C@@H]1CCC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001592520358 1016685919 /nfs/dbraw/zinc/68/59/19/1016685919.db2.gz HQPVXKXPBSBLPT-SCZZXKLOSA-N -1 0 321.337 -0.240 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)c1cnon1 ZINC001592529558 1016686729 /nfs/dbraw/zinc/68/67/29/1016686729.db2.gz CJEYMLVAWOQGQG-ZETCQYMHSA-N -1 0 306.282 -0.400 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)[C@H](C)C1CC1 ZINC001426748017 1002881014 /nfs/dbraw/zinc/88/10/14/1002881014.db2.gz XKMUNRLUVGORSJ-HTQZYQBOSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)C1CCC1 ZINC001426759143 1002885051 /nfs/dbraw/zinc/88/50/51/1002885051.db2.gz BYTGFRHDOVYTGF-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@H](CNC(=O)[C@H]1C[C@@H]1C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001426785687 1002889592 /nfs/dbraw/zinc/88/95/92/1002889592.db2.gz DVXUQCTZESWRCT-YIZRAAEISA-N -1 0 311.342 -0.692 20 0 DBADRM CC(C)[C@@H](F)C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415583075 1002890234 /nfs/dbraw/zinc/89/02/34/1002890234.db2.gz VUCWBFWXUBYZRO-SECBINFHSA-N -1 0 317.321 -0.742 20 0 DBADRM C[C@@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)c1cnnn1C ZINC001592531009 1016688827 /nfs/dbraw/zinc/68/88/27/1016688827.db2.gz QAFIBDCTRLHLJL-QMMMGPOBSA-N -1 0 319.325 -0.076 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H](CO)C2CCC2)c(-c2nnn[n-]2)c1=O ZINC001592544631 1016689734 /nfs/dbraw/zinc/68/97/34/1016689734.db2.gz UVSMMLHRBIVDHK-ZETCQYMHSA-N -1 0 307.314 -0.761 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC(C3CC3)C2)n(C)c1=O ZINC001592553055 1016691552 /nfs/dbraw/zinc/69/15/52/1016691552.db2.gz AEVLVPQFVVJLKB-UHFFFAOYSA-N -1 0 303.326 -0.890 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCC2CCOCC2)n(C)c1=O ZINC001592555094 1016696110 /nfs/dbraw/zinc/69/61/10/1016696110.db2.gz CMHKOPUYINUACA-UHFFFAOYSA-N -1 0 321.341 -0.897 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2C[C@]23CCOC3)c1=O ZINC001592557676 1016695412 /nfs/dbraw/zinc/69/54/12/1016695412.db2.gz CFECUXCYVGOFFL-SDBXPKJASA-N -1 0 304.310 -0.846 20 0 DBADRM Cn1c(Cl)cnc1CNCCn1cnc(-c2nnn[n-]2)n1 ZINC001592554028 1016696302 /nfs/dbraw/zinc/69/63/02/1016696302.db2.gz PPNKSADXJWQUBF-UHFFFAOYSA-N -1 0 308.737 -0.365 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592563696 1016699385 /nfs/dbraw/zinc/69/93/85/1016699385.db2.gz CEXVSGWWJDJODH-IUCAKERBSA-N -1 0 323.353 -0.055 20 0 DBADRM CC[C@H](F)C(=O)N(CC)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415697953 1002965069 /nfs/dbraw/zinc/96/50/69/1002965069.db2.gz FCZSVZMOWTZETF-QMMMGPOBSA-N -1 0 317.321 -0.598 20 0 DBADRM CO[C@H](C)C(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001437437541 1002991359 /nfs/dbraw/zinc/99/13/59/1002991359.db2.gz XMFZVSHDFDGGIM-SNVBAGLBSA-N -1 0 307.354 -0.395 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001592569113 1016706351 /nfs/dbraw/zinc/70/63/51/1016706351.db2.gz BZNNVSOYNVNGBL-ZJUUUORDSA-N -1 0 308.338 -0.108 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1)C(=O)[O-] ZINC001592570096 1016707632 /nfs/dbraw/zinc/70/76/32/1016707632.db2.gz ZRSKXYAPYQPXSM-MXWKQRLJSA-N -1 0 308.338 -0.405 20 0 DBADRM CN(CCNC(=O)CCc1ccncn1)Cc1n[nH]c(=O)[n-]1 ZINC001437466039 1003014626 /nfs/dbraw/zinc/01/46/26/1003014626.db2.gz IFDJBQQCYPANEP-UHFFFAOYSA-N -1 0 305.342 -0.519 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1ccnc(C(=O)[O-])n1 ZINC001592575416 1016709801 /nfs/dbraw/zinc/70/98/01/1016709801.db2.gz JBJURRLQZITGFF-BDAKNGLRSA-N -1 0 321.337 -0.866 20 0 DBADRM C[C@@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)C1(C(N)=O)CC1 ZINC001592588952 1016710942 /nfs/dbraw/zinc/71/09/42/1016710942.db2.gz UAKIPUWHELBQDF-QMMMGPOBSA-N -1 0 321.337 -0.619 20 0 DBADRM Cn1ccnc1Sc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001592585868 1016712006 /nfs/dbraw/zinc/71/20/06/1016712006.db2.gz ZLLSZZFGJXNXDR-UHFFFAOYSA-N -1 0 320.338 -0.851 20 0 DBADRM C[C@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)CCCC(N)=O ZINC001592594170 1016713885 /nfs/dbraw/zinc/71/38/85/1016713885.db2.gz VACOVEWUGQCIPW-SECBINFHSA-N -1 0 323.353 -0.229 20 0 DBADRM C[C@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)c1ncn(C)n1 ZINC001592594148 1016713966 /nfs/dbraw/zinc/71/39/66/1016713966.db2.gz STZGPLHWBLQKEK-MRVPVSSYSA-N -1 0 319.325 -0.442 20 0 DBADRM Cc1cnc([C@@H](C)N(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001437548666 1003064036 /nfs/dbraw/zinc/06/40/36/1003064036.db2.gz VSSNTBPMXYBWRW-SECBINFHSA-N -1 0 324.341 -0.205 20 0 DBADRM C[C@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)c1ncn(C)n1 ZINC001592593916 1016717471 /nfs/dbraw/zinc/71/74/71/1016717471.db2.gz NORAYFGTQKVOHI-MRVPVSSYSA-N -1 0 319.325 -0.442 20 0 DBADRM CN(CCNC(=O)C(F)F)C(=O)c1c[n-]n2c1nccc2=O ZINC001495795736 1016723565 /nfs/dbraw/zinc/72/35/65/1016723565.db2.gz VRZUZKALDBUGFS-UHFFFAOYSA-N -1 0 313.264 -0.524 20 0 DBADRM C[C@H](CN1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O)S(C)(=O)=O ZINC001592610905 1016726158 /nfs/dbraw/zinc/72/61/58/1016726158.db2.gz LCRKAHTZICVFGU-VGMNWLOBSA-N -1 0 318.351 -0.453 20 0 DBADRM CN(C(=O)c1cc2c(nc3ccccn3c2=O)n1C)c1nnn[n-]1 ZINC001437662764 1003121757 /nfs/dbraw/zinc/12/17/57/1003121757.db2.gz DKSAPXPRLWOTBJ-UHFFFAOYSA-N -1 0 324.304 -0.024 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)n1 ZINC001592609398 1016727306 /nfs/dbraw/zinc/72/73/06/1016727306.db2.gz WCQWMTVLJWQREV-UHFFFAOYSA-N -1 0 307.299 -0.809 20 0 DBADRM C[C@H](CN1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O)S(C)(=O)=O ZINC001592610903 1016728188 /nfs/dbraw/zinc/72/81/88/1016728188.db2.gz LCRKAHTZICVFGU-IWSPIJDZSA-N -1 0 318.351 -0.453 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)Cn1cccn1 ZINC001592623707 1016731654 /nfs/dbraw/zinc/73/16/54/1016731654.db2.gz BXLLYPJNZSPKSS-MNOVXSKESA-N -1 0 308.338 -0.432 20 0 DBADRM C[C@H](CN1CCOCC1)N(C)C(=O)c1cc(C(=O)[O-])nn1C ZINC001592622912 1016732046 /nfs/dbraw/zinc/73/20/46/1016732046.db2.gz CMTHNPDDKMGGAI-SNVBAGLBSA-N -1 0 310.354 -0.089 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001592647986 1016733007 /nfs/dbraw/zinc/73/30/07/1016733007.db2.gz SYCDILBLKOJAGO-XPUUQOCRSA-N -1 0 309.282 -0.800 20 0 DBADRM CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])Cc1nnn(C)n1 ZINC001437748641 1003187418 /nfs/dbraw/zinc/18/74/18/1003187418.db2.gz AQIWWIHYQFHSGF-UHFFFAOYSA-N -1 0 322.373 -0.411 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001416109875 1003188297 /nfs/dbraw/zinc/18/82/97/1003188297.db2.gz YLGVLASHNODQAJ-SECBINFHSA-N -1 0 323.353 -0.690 20 0 DBADRM C[C@@H](CNC(=O)CC1(O)CCC1)Nc1ccnc(C(=O)[O-])n1 ZINC001592646222 1016735217 /nfs/dbraw/zinc/73/52/17/1016735217.db2.gz UAFBVMDUAOCUIU-VIFPVBQESA-N -1 0 308.338 -0.182 20 0 DBADRM C[C@H](CNC(=O)COCC1CC1)Nc1ccnc(C(=O)[O-])n1 ZINC001592653681 1016736110 /nfs/dbraw/zinc/73/61/10/1016736110.db2.gz NEFGKOOTNIONRG-SECBINFHSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@@H](CNC(=O)NCC1(CC(=O)[O-])CCCC1)S(N)(=O)=O ZINC001592665836 1016738016 /nfs/dbraw/zinc/73/80/16/1016738016.db2.gz NMGKYSIYKRLARK-VIFPVBQESA-N -1 0 321.399 -0.002 20 0 DBADRM CCn1ncc(CN2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001597957187 1017218258 /nfs/dbraw/zinc/21/82/58/1017218258.db2.gz OJFNKEZPBYDLGG-NWDGAFQWSA-N -1 0 307.354 -0.339 20 0 DBADRM C[C@H](CNC(=O)c1cn[nH]n1)N(C)c1ccnc(C(=O)[O-])n1 ZINC001592692494 1016746028 /nfs/dbraw/zinc/74/60/28/1016746028.db2.gz NSJAAAIIHPKBLP-SSDOTTSWSA-N -1 0 305.298 -0.452 20 0 DBADRM C[C@H](CNC(=O)c1ccc(OCC(=O)[O-])cc1)S(N)(=O)=O ZINC001592697382 1016746152 /nfs/dbraw/zinc/74/61/52/1016746152.db2.gz SZIQPYBHOFCTMY-MRVPVSSYSA-N -1 0 316.335 -0.443 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)C1=COCCO1 ZINC001416208152 1003252235 /nfs/dbraw/zinc/25/22/35/1003252235.db2.gz ZWQDWJJKSSSYMD-SECBINFHSA-N -1 0 324.337 -0.063 20 0 DBADRM C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)Nc1ncc(C(=O)[O-])cn1 ZINC001592697352 1016748390 /nfs/dbraw/zinc/74/83/90/1016748390.db2.gz RXGJZXIBHJDXHC-ZETCQYMHSA-N -1 0 318.293 -0.099 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)Cc2nnc[nH]2)c1[O-] ZINC001427714977 1003281397 /nfs/dbraw/zinc/28/13/97/1003281397.db2.gz WWHWMSWDMYEPJD-SSDOTTSWSA-N -1 0 321.341 -0.639 20 0 DBADRM CN(CCNC(=O)c1ccc[nH]1)C(=O)c1cnc([O-])n(C)c1=O ZINC001495848011 1016752074 /nfs/dbraw/zinc/75/20/74/1016752074.db2.gz VKISKIYFULQWRV-UHFFFAOYSA-N -1 0 319.321 -0.684 20 0 DBADRM C[C@H](CNC(=O)c1nnc[nH]1)CNc1ncc(C(=O)[O-])cn1 ZINC001592706135 1016751954 /nfs/dbraw/zinc/75/19/54/1016751954.db2.gz NOKUCRNAQCQWFC-SSDOTTSWSA-N -1 0 305.298 -0.229 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)COC(C)C)c1[O-] ZINC001427767972 1003338708 /nfs/dbraw/zinc/33/87/08/1003338708.db2.gz UZDBPNIJZRCLFD-SECBINFHSA-N -1 0 314.342 -0.944 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)COC(C)C)c1[O-] ZINC001427767973 1003339350 /nfs/dbraw/zinc/33/93/50/1003339350.db2.gz UZDBPNIJZRCLFD-VIFPVBQESA-N -1 0 314.342 -0.944 20 0 DBADRM C[C@H](O)CCCN1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001438080537 1003342069 /nfs/dbraw/zinc/34/20/69/1003342069.db2.gz YBAPSNUBPWBFJS-JTQLQIEISA-N -1 0 319.365 -0.402 20 0 DBADRM C[C@@H](CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)n1ccnc1 ZINC001438078728 1003342765 /nfs/dbraw/zinc/34/27/65/1003342765.db2.gz ARLFJWOPWKBHFX-VIFPVBQESA-N -1 0 305.342 -0.342 20 0 DBADRM CC(C)[C@H](CNC(=O)C1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001416554191 1003353747 /nfs/dbraw/zinc/35/37/47/1003353747.db2.gz FKYYQBSLTFLCEG-VIFPVBQESA-N -1 0 311.342 -0.644 20 0 DBADRM CCn1ncc(C(=O)N2C[C@H](C(=O)OC)CC[C@@H]2C(=O)[O-])n1 ZINC001597951013 1017218938 /nfs/dbraw/zinc/21/89/38/1017218938.db2.gz VRNZBKJGOFCMFK-PSASIEDQSA-N -1 0 310.310 -0.224 20 0 DBADRM C[C@H](CNS(=O)(=O)c1cccnc1C(=O)[O-])S(C)(=O)=O ZINC001592721327 1016766303 /nfs/dbraw/zinc/76/63/03/1016766303.db2.gz BXCGZSYGYMNYGV-SSDOTTSWSA-N -1 0 322.364 -0.509 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@H](C)C(C)C)c1[O-] ZINC001427870819 1003416209 /nfs/dbraw/zinc/41/62/09/1003416209.db2.gz BEBDGUADCVVAJN-PSASIEDQSA-N -1 0 312.370 -0.077 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1cn(C)nn1 ZINC001592729572 1016771767 /nfs/dbraw/zinc/77/17/67/1016771767.db2.gz NKQKETVGEWRELA-MRVPVSSYSA-N -1 0 319.325 -0.702 20 0 DBADRM NC(=O)c1ccc(CCn2cncc(-c3nnn[n-]3)c2=O)cc1 ZINC001592737307 1016780881 /nfs/dbraw/zinc/78/08/81/1016780881.db2.gz PMPPIQBLWZHNFL-UHFFFAOYSA-N -1 0 311.305 -0.235 20 0 DBADRM C[C@@](CO)(NCC(=O)NC[C@@H]1COc2ccccc2O1)C(=O)[O-] ZINC001592749797 1016792457 /nfs/dbraw/zinc/79/24/57/1016792457.db2.gz MOGPUUGKGJDUHY-BMIGLBTASA-N -1 0 324.333 -0.632 20 0 DBADRM COCC(=O)N[C@H](C)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001416782665 1003513852 /nfs/dbraw/zinc/51/38/52/1003513852.db2.gz FZLMCCBCYYOZGR-SSDOTTSWSA-N -1 0 308.294 -0.191 20 0 DBADRM C[C@](CO)(NC(=O)c1cnc(C2OCCO2)s1)C(=O)[O-] ZINC001592744598 1016787113 /nfs/dbraw/zinc/78/71/13/1016787113.db2.gz MWRGBQYXGWVRHJ-LLVKDONJSA-N -1 0 302.308 -0.246 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNCc2nnn(C)n2)c1[O-] ZINC001438642477 1003555494 /nfs/dbraw/zinc/55/54/94/1003555494.db2.gz IIEIBLAOYSXUNC-ZETCQYMHSA-N -1 0 308.346 -0.802 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)CN1C(=O)COCC(F)F ZINC001428077953 1003586627 /nfs/dbraw/zinc/58/66/27/1003586627.db2.gz PXHYUMAIYDMMKQ-JGVFFNPUSA-N -1 0 317.296 -0.194 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)C(=O)[O-] ZINC001592807176 1016804464 /nfs/dbraw/zinc/80/44/64/1016804464.db2.gz LCIUBVULGAMUSB-KXUCPTDWSA-N -1 0 311.400 -0.216 20 0 DBADRM C[C@@H](CO)CCCNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001592757294 1016795466 /nfs/dbraw/zinc/79/54/66/1016795466.db2.gz JIYALEHCMAYWMB-MRVPVSSYSA-N -1 0 312.326 -0.418 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@H](C(N)=O)c1ccc(F)cc1)C(=O)[O-] ZINC001592800318 1016804548 /nfs/dbraw/zinc/80/45/48/1016804548.db2.gz LIBYLKLKGNSIJK-XVKPBYJWSA-N -1 0 318.326 -0.008 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])C1CC1 ZINC001592799441 1016804587 /nfs/dbraw/zinc/80/45/87/1016804587.db2.gz CFQGNLVOSLSYKD-PSASIEDQSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-])C1CC1 ZINC001592789304 1016802050 /nfs/dbraw/zinc/80/20/50/1016802050.db2.gz DSPFGHXWOQHPJG-PSASIEDQSA-N -1 0 304.368 -0.411 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@H](C(=O)N2CCCC2)C1)C(=O)[O-] ZINC001592789107 1016802118 /nfs/dbraw/zinc/80/21/18/1016802118.db2.gz DLEMGDYHQGVPKX-MNOVXSKESA-N -1 0 318.395 -0.019 20 0 DBADRM O=C(/C=C\[C@@H]1CCOC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592795220 1016802273 /nfs/dbraw/zinc/80/22/73/1016802273.db2.gz PEXXXVITICQBNU-JKERVTFKSA-N -1 0 304.314 -0.833 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCCS(=O)(=O)C[C@H]1C)C(=O)[O-] ZINC001592798884 1016802620 /nfs/dbraw/zinc/80/26/20/1016802620.db2.gz QZLPRIMASJHVGL-DTWKUNHWSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC2(CCN(C)C2=O)CC1)C(=O)[O-] ZINC001592799244 1016803010 /nfs/dbraw/zinc/80/30/10/1016803010.db2.gz VCUOUYNYPVMASZ-JTQLQIEISA-N -1 0 318.395 -0.019 20 0 DBADRM CCn1nncc1C(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001416891886 1003643612 /nfs/dbraw/zinc/64/36/12/1003643612.db2.gz UXIWMPNIWKYLDH-ZETCQYMHSA-N -1 0 321.341 -0.417 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCO[C@@H](Cn2ccnn2)C1)C(=O)[O-] ZINC001592801200 1016803818 /nfs/dbraw/zinc/80/38/18/1016803818.db2.gz ZKZJAPARBMVOCN-ZJUUUORDSA-N -1 0 318.355 -0.971 20 0 DBADRM O=C(CC1(O)CCCC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592806889 1016803957 /nfs/dbraw/zinc/80/39/57/1016803957.db2.gz VZOVXTCPIQPQLC-UHFFFAOYSA-N -1 0 306.330 -0.730 20 0 DBADRM C[C@@H](CS(=O)(=O)N1C[C@](C)(CO)[C@](C)(CO)C1)C(=O)[O-] ZINC001592800360 1016804237 /nfs/dbraw/zinc/80/42/37/1016804237.db2.gz MCPFSIZRCXTKPN-ZMLRMANQSA-N -1 0 309.384 -0.650 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC2(CC1)COCCO2)C(=O)[O-] ZINC001592799659 1016804281 /nfs/dbraw/zinc/80/42/81/1016804281.db2.gz XQUYJWWXWAHNSU-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@@](Cn1cccn1)(NCC(=O)NC[C@@H]1CCCO1)C(=O)[O-] ZINC001592923014 1016816751 /nfs/dbraw/zinc/81/67/51/1016816751.db2.gz GSUGNFYAXMTQAV-FZMZJTMJSA-N -1 0 310.354 -0.389 20 0 DBADRM C[C@H](CS(=O)(=O)NCc1nnnn1CC1CC1)C(=O)[O-] ZINC001592815869 1016805446 /nfs/dbraw/zinc/80/54/46/1016805446.db2.gz KZBNUKFVKFVNOR-SSDOTTSWSA-N -1 0 303.344 -0.777 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@H]1CCN(CC(F)F)C1)C(=O)[O-] ZINC001592809639 1016806214 /nfs/dbraw/zinc/80/62/14/1016806214.db2.gz XVGCPRMFFKRMGQ-SFYZADRCSA-N -1 0 300.327 -0.034 20 0 DBADRM C[C@H](CS(=O)(=O)NC[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001592808696 1016806447 /nfs/dbraw/zinc/80/64/47/1016806447.db2.gz MJGYZHWXMQGODN-RKDXNWHRSA-N -1 0 313.397 -0.549 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@H]1CCN(CC(F)F)C1)C(=O)[O-] ZINC001592809640 1016806531 /nfs/dbraw/zinc/80/65/31/1016806531.db2.gz XVGCPRMFFKRMGQ-YUMQZZPRSA-N -1 0 300.327 -0.034 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC001592815954 1016806630 /nfs/dbraw/zinc/80/66/30/1016806630.db2.gz NDJJSCBRDSTIQA-WPRPVWTQSA-N -1 0 323.367 -0.564 20 0 DBADRM C[C@H](CS(C)(=O)=O)N1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001592815911 1016806660 /nfs/dbraw/zinc/80/66/60/1016806660.db2.gz KTOFIVUJVSFDPX-VGMNWLOBSA-N -1 0 318.351 -0.453 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)CCc1cn(CC(=O)[O-])nn1 ZINC001592816264 1016807289 /nfs/dbraw/zinc/80/72/89/1016807289.db2.gz QMAHVNKKCSPBRF-VIFPVBQESA-N -1 0 304.372 -0.730 20 0 DBADRM O=C(CCc1ccoc1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592856583 1016807439 /nfs/dbraw/zinc/80/74/39/1016807439.db2.gz ZYFPBHXEMYHAMG-UHFFFAOYSA-N -1 0 302.298 -0.200 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1occc1C(=O)[O-] ZINC001592822526 1016807476 /nfs/dbraw/zinc/80/74/76/1016807476.db2.gz PDAKIAPDKVVJBG-LURJTMIESA-N -1 0 311.337 -0.311 20 0 DBADRM C[C@@](Cn1cccn1)(NS(=O)(=O)C[C@@H]1CCCO1)C(=O)[O-] ZINC001592926615 1016816348 /nfs/dbraw/zinc/81/63/48/1016816348.db2.gz TYCWOWKILMRQAX-JQWIXIFHSA-N -1 0 317.367 -0.175 20 0 DBADRM O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NCC1CC1 ZINC001592857620 1016808504 /nfs/dbraw/zinc/80/85/04/1016808504.db2.gz HCSYHYMUWCUAFG-UHFFFAOYSA-N -1 0 305.298 -0.955 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001592822070 1016808777 /nfs/dbraw/zinc/80/87/77/1016808777.db2.gz DQZPWTSBMWAZTP-FHZGZLOMSA-N -1 0 307.372 -0.966 20 0 DBADRM O=C(CN1CCCCC(=O)C1=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001592865031 1016809965 /nfs/dbraw/zinc/80/99/65/1016809965.db2.gz OYUMXAZZQZDQFP-UHFFFAOYSA-N -1 0 318.297 -0.890 20 0 DBADRM CCC1(C(=O)N[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001416942286 1003708292 /nfs/dbraw/zinc/70/82/92/1003708292.db2.gz MLTVZADAUKNJHL-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001592908631 1016815369 /nfs/dbraw/zinc/81/53/69/1016815369.db2.gz FVHSKTKIIXBTCD-GXSJLCMTSA-N -1 0 306.326 -0.540 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)[C@@H]1CCCS1(=O)=O)C(=O)[O-] ZINC001592917720 1016815881 /nfs/dbraw/zinc/81/58/81/1016815881.db2.gz SIAHKDZFKJQQJN-CABZTGNLSA-N -1 0 315.351 -0.580 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC(Cc2ccco2)C1 ZINC001592940455 1016821140 /nfs/dbraw/zinc/82/11/40/1016821140.db2.gz IDQBMKJIAXHBGK-UHFFFAOYSA-N -1 0 314.309 -0.248 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC001592940630 1016821405 /nfs/dbraw/zinc/82/14/05/1016821405.db2.gz RFNOCSFHRJEDEX-SLHIUPAKSA-N -1 0 318.341 -0.922 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCCc1nccs1 ZINC001592940994 1016821527 /nfs/dbraw/zinc/82/15/27/1016821527.db2.gz NNVQQWLHWGYTKZ-UHFFFAOYSA-N -1 0 319.354 -0.336 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@]2(CC2(F)F)C1 ZINC001592940506 1016821845 /nfs/dbraw/zinc/82/18/45/1016821845.db2.gz KVLAHGGLXUMYJR-JTQLQIEISA-N -1 0 310.268 -0.284 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1cnn2ccccc12 ZINC001592940919 1016821914 /nfs/dbraw/zinc/82/19/14/1016821914.db2.gz JESHQLNUOMCMSM-UHFFFAOYSA-N -1 0 324.308 -0.578 20 0 DBADRM CN(C[C@@H](O)CNC(=O)c1ccccc1O)C(=O)c1ncc[nH]1 ZINC001428197477 1003738912 /nfs/dbraw/zinc/73/89/12/1003738912.db2.gz YJKKEJKNNHTKJY-JTQLQIEISA-N -1 0 318.333 -0.022 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ccn(C)n1 ZINC001438897824 1003740867 /nfs/dbraw/zinc/74/08/67/1003740867.db2.gz RLJSLETXXSCVHJ-UHFFFAOYSA-N -1 0 321.341 -0.780 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1cccc(F)n1 ZINC001592940989 1016822614 /nfs/dbraw/zinc/82/26/14/1016822614.db2.gz NBUURNNDPBMLCP-UHFFFAOYSA-N -1 0 303.261 -0.691 20 0 DBADRM C[C@](Cn1cccn1)(NCC(=O)Nc1ccncc1)C(=O)[O-] ZINC001592922601 1016816768 /nfs/dbraw/zinc/81/67/68/1016816768.db2.gz AUYYFZOFXCWUMD-CQSZACIVSA-N -1 0 303.322 -0.228 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)c1cnc2n1CCOC2)C(=O)[O-] ZINC001592925041 1016816834 /nfs/dbraw/zinc/81/68/34/1016816834.db2.gz QMAQLKDZATVOCG-CQSZACIVSA-N -1 0 319.321 -0.117 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)/C=C\CN1CCOCC1)C(=O)[O-] ZINC001592917994 1016817401 /nfs/dbraw/zinc/81/74/01/1016817401.db2.gz XMHPDFVLXRFYSD-HKLWWIALSA-N -1 0 322.365 -0.269 20 0 DBADRM C[C@H](Cn1cncn1)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001592930816 1016818682 /nfs/dbraw/zinc/81/86/82/1016818682.db2.gz XMEVBLJWORTEMY-MRVPVSSYSA-N -1 0 311.323 -0.262 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001592931853 1016818766 /nfs/dbraw/zinc/81/87/66/1016818766.db2.gz QMIPDXZLPVXPNP-KPPDAEKUSA-N -1 0 323.353 -0.458 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H](CCO)c1ccco1 ZINC001592939744 1016819150 /nfs/dbraw/zinc/81/91/50/1016819150.db2.gz JUNIHALWRJXBLY-QMMMGPOBSA-N -1 0 318.297 -0.709 20 0 DBADRM CC(F)(F)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001592934385 1016819297 /nfs/dbraw/zinc/81/92/97/1016819297.db2.gz JCLGZKDIVWQPIS-SFYZADRCSA-N -1 0 308.281 -0.701 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)nn1)N1CCO[C@@H]2CCCC[C@H]21 ZINC001592936216 1016819331 /nfs/dbraw/zinc/81/93/31/1016819331.db2.gz IQTQKGVUYACDBX-GHMZBOCLSA-N -1 0 318.341 -0.372 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCCc2n[nH]cc2C1 ZINC001592939652 1016819446 /nfs/dbraw/zinc/81/94/46/1016819446.db2.gz IGGBQEDFTKOYJJ-UHFFFAOYSA-N -1 0 314.313 -0.844 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001592931423 1016819586 /nfs/dbraw/zinc/81/95/86/1016819586.db2.gz MHSCGTIMDRRUOS-GXSJLCMTSA-N -1 0 323.353 -0.600 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCOC12CCCC2 ZINC001592939417 1016820127 /nfs/dbraw/zinc/82/01/27/1016820127.db2.gz ALGRUNMMMBHYLD-VIFPVBQESA-N -1 0 318.341 -0.324 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC(C(=O)[O-])CC1)c1ncn(C)n1 ZINC001592972055 1016826964 /nfs/dbraw/zinc/82/69/64/1016826964.db2.gz SLSMAQXADUMZAB-QMMMGPOBSA-N -1 0 309.326 -0.685 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1C(=O)C1CCC1 ZINC001417056690 1003804002 /nfs/dbraw/zinc/80/40/02/1003804002.db2.gz ZOJXJJZTHFUMDE-VIFPVBQESA-N -1 0 309.326 -0.794 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC(CO)C1)c1ncc(C(=O)[O-])s1 ZINC001592970017 1016827131 /nfs/dbraw/zinc/82/71/31/1016827131.db2.gz BHXKPHDMIUPVBM-ZCFIWIBFSA-N -1 0 313.335 -0.531 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)[C@H](C)c1ccccc1 ZINC001592970160 1016827166 /nfs/dbraw/zinc/82/71/66/1016827166.db2.gz CYXATGACNWTKEK-WDEREUQCSA-N -1 0 320.345 -0.047 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1nnc2n1CCC2 ZINC001592971572 1016827568 /nfs/dbraw/zinc/82/75/68/1016827568.db2.gz QUJUBBRLTICFSE-IUCAKERBSA-N -1 0 321.337 -0.665 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)[C@@H]1CCCOC1 ZINC001592977851 1016827652 /nfs/dbraw/zinc/82/76/52/1016827652.db2.gz GLBZDKFXQSCJSF-RKDXNWHRSA-N -1 0 324.337 -0.012 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)[C@@H]1CC2CCC1CC2 ZINC001592970695 1016827712 /nfs/dbraw/zinc/82/77/12/1016827712.db2.gz IZRGVMIJYGTZGI-YYJSSNLHSA-N -1 0 324.377 -0.025 20 0 DBADRM C[C@H](NC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1cnn(C)c1 ZINC001592972417 1016828209 /nfs/dbraw/zinc/82/82/09/1016828209.db2.gz WKEMZFNOWKLJAY-ATZCPNFKSA-N -1 0 308.338 -0.081 20 0 DBADRM O=C(CCc1cn[nH]c1)N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001428302063 1003820124 /nfs/dbraw/zinc/82/01/24/1003820124.db2.gz DWGLZQZHTRQCBV-AOOOYVTPSA-N -1 0 303.326 -0.462 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)c1cccnc1 ZINC001592970905 1016828300 /nfs/dbraw/zinc/82/83/00/1016828300.db2.gz MQYPFAPBOLPCIC-DLOVCJGASA-N -1 0 321.333 -0.447 20 0 DBADRM CCC(=O)N1CCC[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001428383968 1003827373 /nfs/dbraw/zinc/82/73/73/1003827373.db2.gz YWWGUWIYIGSJMS-VIFPVBQESA-N -1 0 311.342 -0.546 20 0 DBADRM CC(F)(F)C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001417173372 1003836781 /nfs/dbraw/zinc/83/67/81/1003836781.db2.gz JNCKTCBTWBJRJO-UHFFFAOYSA-N -1 0 317.252 -0.683 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc2c(c1)OCO2 ZINC001592941962 1016824555 /nfs/dbraw/zinc/82/45/55/1016824555.db2.gz VAWQXXHHZSOIEY-UHFFFAOYSA-N -1 0 314.265 -0.174 20 0 DBADRM C[C@@H](CNC(=O)c1ccon1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001428523274 1003852979 /nfs/dbraw/zinc/85/29/79/1003852979.db2.gz JNOCWJJDBTYVDC-ZETCQYMHSA-N -1 0 321.293 -0.978 20 0 DBADRM CCC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001428530770 1003854038 /nfs/dbraw/zinc/85/40/38/1003854038.db2.gz JWIXRLCWKABHRP-RKDXNWHRSA-N -1 0 310.354 -0.091 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)CCn2ccnn2)c1[O-] ZINC001428595350 1003867442 /nfs/dbraw/zinc/86/74/42/1003867442.db2.gz IWZUPUJOBSZPMD-QMMMGPOBSA-N -1 0 321.341 -0.660 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@](C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001417334720 1003867763 /nfs/dbraw/zinc/86/77/63/1003867763.db2.gz MEMWKVQRGLOIKM-NUPCCRGMSA-N -1 0 323.353 -0.548 20 0 DBADRM CN(C(=O)c1ccc(N2NC(=O)CCC2=O)cc1)c1nnn[n-]1 ZINC001417566137 1003889326 /nfs/dbraw/zinc/88/93/26/1003889326.db2.gz PRPJYCWQYSWUFR-UHFFFAOYSA-N -1 0 315.293 -0.366 20 0 DBADRM Cc1ncc2c(n1)CC[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001417606337 1003896789 /nfs/dbraw/zinc/89/67/89/1003896789.db2.gz HULTUVONANKTIW-QMMMGPOBSA-N -1 0 302.294 -0.331 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCc1nnc2n1CCCC2 ZINC001417612917 1003898876 /nfs/dbraw/zinc/89/88/76/1003898876.db2.gz LQGJJJMPKSAFPR-UHFFFAOYSA-N -1 0 309.355 -0.153 20 0 DBADRM CNC(=O)c1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001417617089 1003899161 /nfs/dbraw/zinc/89/91/61/1003899161.db2.gz DCVNYAIYDULCLJ-UHFFFAOYSA-N -1 0 305.294 -0.635 20 0 DBADRM O=C(CCCc1nnn[n-]1)Nc1cnn(CC(=O)NC2CC2)c1 ZINC001417614546 1003899795 /nfs/dbraw/zinc/89/97/95/1003899795.db2.gz DCZWJPBVHQSJHL-UHFFFAOYSA-N -1 0 318.341 -0.364 20 0 DBADRM COc1cc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001439321125 1003902096 /nfs/dbraw/zinc/90/20/96/1003902096.db2.gz BTYCRUWGQKLHAS-MRVPVSSYSA-N -1 0 321.341 -0.441 20 0 DBADRM C[C@@H](NC(=O)Cn1cncn1)[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001593050072 1016833696 /nfs/dbraw/zinc/83/36/96/1016833696.db2.gz JFYZCZJNSUXRQR-BDAKNGLRSA-N -1 0 319.325 -0.228 20 0 DBADRM C[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1nccc(N)n1 ZINC001593025497 1016834049 /nfs/dbraw/zinc/83/40/49/1016834049.db2.gz BSXWHFWXSLODEL-BDAKNGLRSA-N -1 0 321.337 -0.441 20 0 DBADRM C[C@@H](NC(=O)Cn1cccn1)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593050177 1016834642 /nfs/dbraw/zinc/83/46/42/1016834642.db2.gz KIPMQZWBOMHICU-NXEZZACHSA-N -1 0 318.337 -0.202 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cccc(C(=O)N2CCCC2)n1 ZINC001417633644 1003924136 /nfs/dbraw/zinc/92/41/36/1003924136.db2.gz JFRWNWQRCYJOFK-UHFFFAOYSA-N -1 0 301.310 -0.239 20 0 DBADRM C[C@@]1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001417636042 1003927227 /nfs/dbraw/zinc/92/72/27/1003927227.db2.gz QDGAXENDQALWRK-KWQFWETISA-N -1 0 315.355 -0.933 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001592989545 1016829729 /nfs/dbraw/zinc/82/97/29/1016829729.db2.gz HMNQEVDARYUKBO-BDAKNGLRSA-N -1 0 311.342 -0.602 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001439345498 1003937484 /nfs/dbraw/zinc/93/74/84/1003937484.db2.gz IBSBSJQZKWGMAH-ZTHPDXAWSA-N -1 0 321.381 -0.130 20 0 DBADRM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001417660217 1003945803 /nfs/dbraw/zinc/94/58/03/1003945803.db2.gz OECXLLZWUXCXFP-JYFUKTADSA-N -1 0 316.383 -0.115 20 0 DBADRM CC1(C2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)OCCO1 ZINC001417665584 1003951508 /nfs/dbraw/zinc/95/15/08/1003951508.db2.gz IYJZLGHDTVDZAL-UHFFFAOYSA-N -1 0 312.326 -0.309 20 0 DBADRM C[C@@H](NC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)c1nncn1C ZINC001593062800 1016836727 /nfs/dbraw/zinc/83/67/27/1016836727.db2.gz IEWYWBSBQLXSSE-OQPBUACISA-N -1 0 322.325 -0.109 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)C1N=NC(=O)N1C ZINC001593061766 1016836775 /nfs/dbraw/zinc/83/67/75/1016836775.db2.gz DFRJYNLTQAQFBW-YUMQZZPRSA-N -1 0 313.314 -0.533 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](CCO)c1ccccc1 ZINC001417674643 1003957692 /nfs/dbraw/zinc/95/76/92/1003957692.db2.gz HKQXYLFCQHHUIR-NSHDSACASA-N -1 0 306.322 -0.028 20 0 DBADRM CCN(CCS(C)(=O)=O)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001417683891 1003966932 /nfs/dbraw/zinc/96/69/32/1003966932.db2.gz SBNVYZXQPNGMLF-UHFFFAOYSA-N -1 0 320.371 -0.637 20 0 DBADRM Cn1nc(C2CCOCC2)cc1C(=O)NCc1nc(=O)o[n-]1 ZINC001417687965 1003970497 /nfs/dbraw/zinc/97/04/97/1003970497.db2.gz HGLUOEJZZLLFID-UHFFFAOYSA-N -1 0 307.310 -0.080 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC001417691921 1003972296 /nfs/dbraw/zinc/97/22/96/1003972296.db2.gz OWOZKKLWJPZNGT-SSDOTTSWSA-N -1 0 311.367 -0.271 20 0 DBADRM CN1C[C@@H](NC(=O)c2nc[n-]c(=O)c2Br)C(=O)N1 ZINC001417693129 1003976458 /nfs/dbraw/zinc/97/64/58/1003976458.db2.gz CGIPETOIDDZBEL-SCSAIBSYSA-N -1 0 316.115 -0.980 20 0 DBADRM COC(=O)c1ccn(CC(=O)N(C)C[C@H](C)c2nnn[n-]2)n1 ZINC001417705132 1003989107 /nfs/dbraw/zinc/98/91/07/1003989107.db2.gz RNSNQGUTIQNXRP-QMMMGPOBSA-N -1 0 307.314 -0.555 20 0 DBADRM CSc1nccnc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001417726319 1004007106 /nfs/dbraw/zinc/00/71/06/1004007106.db2.gz YSLMENYAFNFZTE-UHFFFAOYSA-N -1 0 321.366 -0.165 20 0 DBADRM COc1cccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001417726339 1004008400 /nfs/dbraw/zinc/00/84/00/1004008400.db2.gz ZRBXFGPPFKVEEI-UHFFFAOYSA-N -1 0 304.310 -0.273 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)NCCc3nc(=O)o[n-]3)nc2C1 ZINC001417729805 1004010321 /nfs/dbraw/zinc/01/03/21/1004010321.db2.gz AZZYQJPKVVWSBO-QMMMGPOBSA-N -1 0 307.310 -0.507 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)Cc1ncc[nH]1 ZINC001417744638 1004015415 /nfs/dbraw/zinc/01/54/15/1004015415.db2.gz OZKHAMJNKXPRNJ-VIFPVBQESA-N -1 0 305.342 -0.491 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NC(C1CC1)C1CC1 ZINC001593112054 1016845065 /nfs/dbraw/zinc/84/50/65/1016845065.db2.gz QOGQQMGTAACKMC-UHFFFAOYSA-N -1 0 317.357 -0.054 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CCCCCO1 ZINC001593110687 1016845274 /nfs/dbraw/zinc/84/52/74/1016845274.db2.gz FBMYEMJTOPPGSQ-UHFFFAOYSA-N -1 0 307.318 -0.415 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@H]1CCCOCC1 ZINC001593110458 1016845801 /nfs/dbraw/zinc/84/58/01/1016845801.db2.gz ZMEHSZRAPDFYGZ-VIFPVBQESA-N -1 0 306.330 -0.609 20 0 DBADRM CCC(CC)(NC(=O)c1nc2n(n1)CCCN2)c1nnn[n-]1 ZINC001417775505 1004031778 /nfs/dbraw/zinc/03/17/78/1004031778.db2.gz RQBMNHPTTQBEMP-UHFFFAOYSA-N -1 0 305.346 -0.690 20 0 DBADRM CCC(CC)(NC(=O)[C@H](C)NS(C)(=O)=O)c1nnn[n-]1 ZINC001417774184 1004032367 /nfs/dbraw/zinc/03/23/67/1004032367.db2.gz ODWINZNKMSODII-ZETCQYMHSA-N -1 0 304.376 -0.731 20 0 DBADRM CS(=O)(=O)c1cccnc1CNC(=O)c1c[n-]ncc1=O ZINC001417775654 1004032707 /nfs/dbraw/zinc/03/27/07/1004032707.db2.gz YOGHZZKYXRZEAR-UHFFFAOYSA-N -1 0 308.319 -0.089 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C1(F)CCOCC1 ZINC001439526912 1004033283 /nfs/dbraw/zinc/03/32/83/1004033283.db2.gz LOXSIFVNSJAKAZ-SECBINFHSA-N -1 0 313.333 -0.281 20 0 DBADRM Cc1nn(C)cc1CC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001439530011 1004033326 /nfs/dbraw/zinc/03/33/26/1004033326.db2.gz HPQGZHJEOQNGBN-LLVKDONJSA-N -1 0 319.369 -0.515 20 0 DBADRM Cc1nc2c(n1CCO)CC[C@H](NC(=O)c1c[n-]ncc1=O)C2 ZINC001417791236 1004039335 /nfs/dbraw/zinc/03/93/35/1004039335.db2.gz LSOILKYJTOSSTC-JTQLQIEISA-N -1 0 317.349 -0.033 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001439556827 1004045234 /nfs/dbraw/zinc/04/52/34/1004045234.db2.gz LRPYTKIGXDAMFS-UWVGGRQHSA-N -1 0 310.358 -0.885 20 0 DBADRM C[C@@](NC(=O)[C@@H]1CC(=O)NC(=O)N1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593138578 1016847203 /nfs/dbraw/zinc/84/72/03/1016847203.db2.gz GHLDIBJSSJDRGM-XPTSAGLGSA-N -1 0 323.280 -0.160 20 0 DBADRM C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)NCC(=O)[O-] ZINC001593124758 1016847344 /nfs/dbraw/zinc/84/73/44/1016847344.db2.gz LQCMQHRQDJRAEJ-SSDOTTSWSA-N -1 0 304.299 -0.356 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC001417814581 1004048678 /nfs/dbraw/zinc/04/86/78/1004048678.db2.gz FAPNTNDBDLUAFD-RNFRBKRXSA-N -1 0 324.259 -0.291 20 0 DBADRM C[C@H](NC(=O)c1cn[nH]n1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593146940 1016847531 /nfs/dbraw/zinc/84/75/31/1016847531.db2.gz VKAFUIBRWFDHPE-BQBZGAKWSA-N -1 0 305.298 -0.666 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)CNC(C)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001417820085 1004053128 /nfs/dbraw/zinc/05/31/28/1004053128.db2.gz RMJHRTOLXDLDSS-VHSXEESVSA-N -1 0 310.358 -0.885 20 0 DBADRM Cn1[nH]c(CNC2(CNC(=O)c3cccnc3)CC2)nc1=O ZINC001439581321 1004056604 /nfs/dbraw/zinc/05/66/04/1004056604.db2.gz PIFWTKBNEOBSRN-UHFFFAOYSA-N -1 0 302.338 -0.444 20 0 DBADRM C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001593125237 1016847750 /nfs/dbraw/zinc/84/77/50/1016847750.db2.gz PILYFEHEZGWKMY-HLTSFMKQSA-N -1 0 302.327 -0.054 20 0 DBADRM Cn1[nH]c(CNC2(CNC(=O)CC[C@@H]3CCOC3)CC2)nc1=O ZINC001439603851 1004067040 /nfs/dbraw/zinc/06/70/40/1004067040.db2.gz URWUNXAGINLUEX-LLVKDONJSA-N -1 0 323.397 -0.337 20 0 DBADRM C[C@H](NC(=O)Nc1c(C(=O)[O-])cnn1C)C1N=NC(=O)N1C ZINC001593108246 1016843006 /nfs/dbraw/zinc/84/30/06/1016843006.db2.gz CJCKJMZUWYEJBC-YFKPBYRVSA-N -1 0 309.286 -0.165 20 0 DBADRM C[C@H](NC(=O)c1cnnn1C)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593185120 1016851941 /nfs/dbraw/zinc/85/19/41/1016851941.db2.gz QQTQFHSUCHZILX-YUMQZZPRSA-N -1 0 319.325 -0.656 20 0 DBADRM COCC1(O)CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC001417879684 1004084711 /nfs/dbraw/zinc/08/47/11/1004084711.db2.gz YQVHMMAIFOBEKD-UHFFFAOYSA-N -1 0 306.278 -0.731 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001417917424 1004104880 /nfs/dbraw/zinc/10/48/80/1004104880.db2.gz QWCBVIXGDFTGJP-MNOVXSKESA-N -1 0 308.386 -0.600 20 0 DBADRM C[C@@H](NC(=O)c1cn[nH]n1)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593146942 1016848669 /nfs/dbraw/zinc/84/86/69/1016848669.db2.gz VKAFUIBRWFDHPE-RNFRBKRXSA-N -1 0 305.298 -0.666 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC001439797171 1004120984 /nfs/dbraw/zinc/12/09/84/1004120984.db2.gz FRSRCQUUIAJKLX-UHFFFAOYSA-N -1 0 304.299 -0.363 20 0 DBADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)CCCc2nnn[n-]2)C1 ZINC001417961007 1004140221 /nfs/dbraw/zinc/14/02/21/1004140221.db2.gz QPHSAFPCQOBWBT-JTQLQIEISA-N -1 0 309.374 -0.215 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccccc1-c1nn[nH]n1)c1cocn1 ZINC001593172837 1016850815 /nfs/dbraw/zinc/85/08/15/1016850815.db2.gz QLLDEZUJABLVFD-UHFFFAOYSA-N -1 0 320.290 -0.027 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CCO1 ZINC001417972469 1004145652 /nfs/dbraw/zinc/14/56/52/1004145652.db2.gz SYZTVMYWWYLWDD-CABZTGNLSA-N -1 0 318.337 -0.703 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001593181101 1016851489 /nfs/dbraw/zinc/85/14/89/1016851489.db2.gz FYFMCLHLRTWNDW-JTQLQIEISA-N -1 0 309.322 -0.373 20 0 DBADRM C[C@H](NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])c1nnnn1C ZINC001593318391 1016857864 /nfs/dbraw/zinc/85/78/64/1016857864.db2.gz GMVVGPCXBHCNHH-DJLDLDEBSA-N -1 0 317.371 -0.166 20 0 DBADRM O=C(OCn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O)N1CCCC1 ZINC001593306468 1016858200 /nfs/dbraw/zinc/85/82/00/1016858200.db2.gz ZXLRRWXTANHIPS-UHFFFAOYSA-N -1 0 307.270 -0.681 20 0 DBADRM C[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C1N=NC(=O)N1C ZINC001593319327 1016858859 /nfs/dbraw/zinc/85/88/59/1016858859.db2.gz OWEIBTDOXQLLMQ-ZCFIWIBFSA-N -1 0 306.344 -0.388 20 0 DBADRM CO[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)C(C)C ZINC001418062440 1004188433 /nfs/dbraw/zinc/18/84/33/1004188433.db2.gz JVPYFGHOPANNHS-NHCYSSNCSA-N -1 0 311.386 -0.484 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@]12C[C@H]1CCC2 ZINC001440013367 1004191515 /nfs/dbraw/zinc/19/15/15/1004191515.db2.gz QDTTVBJKXVDTNW-WKPIXPDZSA-N -1 0 321.381 -0.247 20 0 DBADRM C[C@H](N[C@@H]1CCN(CCC(=O)[O-])C1=O)c1nnnn1C1CC1 ZINC001593220917 1016854324 /nfs/dbraw/zinc/85/43/24/1016854324.db2.gz WPBMZONISUHRAC-WCBMZHEXSA-N -1 0 308.342 -0.266 20 0 DBADRM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001418074612 1004194760 /nfs/dbraw/zinc/19/47/60/1004194760.db2.gz ZGUUNYTUQBOSLJ-DTWKUNHWSA-N -1 0 315.399 -0.484 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2ccc(-c3nn[nH]n3)cn2)O1 ZINC001593275772 1016855667 /nfs/dbraw/zinc/85/56/67/1016855667.db2.gz XIBFGFXXEDFDJQ-VHSXEESVSA-N -1 0 318.293 -0.490 20 0 DBADRM O=C([O-])CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC001593278789 1016855864 /nfs/dbraw/zinc/85/58/64/1016855864.db2.gz XZGFNOKNUDTWLI-UHFFFAOYSA-N -1 0 315.286 -0.241 20 0 DBADRM CNC(=O)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NC)o2)C1 ZINC001418114361 1004217457 /nfs/dbraw/zinc/21/74/57/1004217457.db2.gz FARJUGXRWFHHSJ-QMMMGPOBSA-N -1 0 315.351 -0.604 20 0 DBADRM O=C(Nc1c[nH]nc1-c1nnn[n-]1)c1cccc(-n2cncn2)n1 ZINC001593261577 1016856871 /nfs/dbraw/zinc/85/68/71/1016856871.db2.gz WVOQKFJKELBUDJ-UHFFFAOYSA-N -1 0 323.280 -0.182 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3ncccn3)C2)c1[O-] ZINC001440048351 1004224118 /nfs/dbraw/zinc/22/41/18/1004224118.db2.gz ZSZOOEFLIWZCOQ-UHFFFAOYSA-N -1 0 318.337 -0.810 20 0 DBADRM C[C@H](NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1nnnn1C ZINC001593318393 1016859920 /nfs/dbraw/zinc/85/99/20/1016859920.db2.gz GMVVGPCXBHCNHH-YIZRAAEISA-N -1 0 317.371 -0.166 20 0 DBADRM CC1(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)CCCC1 ZINC001440067548 1004237880 /nfs/dbraw/zinc/23/78/80/1004237880.db2.gz YUXSZPUTLVQMQY-UHFFFAOYSA-N -1 0 309.370 -0.247 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001418164381 1004239027 /nfs/dbraw/zinc/23/90/27/1004239027.db2.gz OYMZEEBDPSFAHD-SNVBAGLBSA-N -1 0 314.342 -0.329 20 0 DBADRM C[C@H](NS(=O)(=O)CCCCCC(=O)[O-])c1nnnn1C ZINC001593320773 1016860221 /nfs/dbraw/zinc/86/02/21/1016860221.db2.gz ZCFPJSIZIQXFIL-QMMMGPOBSA-N -1 0 305.360 -0.165 20 0 DBADRM O=C(c1ccnc(-c2nn[nH]n2)c1)N1CCOC[C@]12CCOC2 ZINC001593358825 1016865752 /nfs/dbraw/zinc/86/57/52/1016865752.db2.gz PQNCHLHKNYBQKM-CQSZACIVSA-N -1 0 316.321 -0.107 20 0 DBADRM O=C(c1ccc(F)c(-c2nn[nH]n2)c1)N1CCN(CCO)CC1 ZINC001593342832 1016862781 /nfs/dbraw/zinc/86/27/81/1016862781.db2.gz CKICPKMLMRFUOI-UHFFFAOYSA-N -1 0 320.328 -0.244 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccnc1C(=O)[O-])c1nncn1C ZINC001593344411 1016862898 /nfs/dbraw/zinc/86/28/98/1016862898.db2.gz CCVGZRREEROJSZ-SSDOTTSWSA-N -1 0 311.323 -0.052 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC001593353076 1016865033 /nfs/dbraw/zinc/86/50/33/1016865033.db2.gz MEFCFHJRDCVVPD-PSASIEDQSA-N -1 0 322.383 -0.690 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CC[C@H](n2cncn2)C1 ZINC001593348621 1016866157 /nfs/dbraw/zinc/86/61/57/1016866157.db2.gz HYRFYGPMOHJKFH-VIFPVBQESA-N -1 0 311.309 -0.060 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001593352708 1016866745 /nfs/dbraw/zinc/86/67/45/1016866745.db2.gz GCBRUAOHJITQHB-KWQFWETISA-N -1 0 308.356 -0.936 20 0 DBADRM C[C@](O)(CC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1CC1 ZINC001593382361 1016867481 /nfs/dbraw/zinc/86/74/81/1016867481.db2.gz XZVWFXOKZDBHLU-LBPRGKRZSA-N -1 0 319.379 -0.314 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC1(CCO)CCOCC1 ZINC001418405457 1004375843 /nfs/dbraw/zinc/37/58/43/1004375843.db2.gz OEGIBLDQQXZMSZ-UHFFFAOYSA-N -1 0 321.337 -0.881 20 0 DBADRM CCOc1cccc(CCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001418427449 1004386958 /nfs/dbraw/zinc/38/69/58/1004386958.db2.gz UWCLCUOXGSRCOP-UHFFFAOYSA-N -1 0 307.310 -0.158 20 0 DBADRM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)[C@H]1CCOC(=O)N1 ZINC001593402740 1016874405 /nfs/dbraw/zinc/87/44/05/1016874405.db2.gz UBWTYARAPDPMPP-SECBINFHSA-N -1 0 304.266 -0.225 20 0 DBADRM Cc1cnc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)cn1 ZINC001418479350 1004425051 /nfs/dbraw/zinc/42/50/51/1004425051.db2.gz WEEGWSVURSCQGG-UHFFFAOYSA-N -1 0 319.325 -0.757 20 0 DBADRM C[C@@](O)(CNC(=O)c1cccc(N2CCNC2=O)c1)C(=O)[O-] ZINC001593412037 1016877079 /nfs/dbraw/zinc/87/70/79/1016877079.db2.gz WRMCKHZYIKZWSX-CQSZACIVSA-N -1 0 307.306 -0.218 20 0 DBADRM CN(CCNC(=O)[C@]1(C)CCCOC1)Cc1nc(=O)n(C)[nH]1 ZINC001418516284 1004446831 /nfs/dbraw/zinc/44/68/31/1004446831.db2.gz ZIAVCCVLHQGPPL-CQSZACIVSA-N -1 0 311.386 -0.527 20 0 DBADRM C[C@@](O)(CO)CNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001593421206 1016879163 /nfs/dbraw/zinc/87/91/63/1016879163.db2.gz ZNWBCWRYKXVUCT-HNNXBMFYSA-N -1 0 324.333 -0.498 20 0 DBADRM CSCC[C@H](NC(=O)CO[C@H]1CCOC1)c1nnn[n-]1 ZINC001418526219 1004454536 /nfs/dbraw/zinc/45/45/36/1004454536.db2.gz IDTSTMDJOGCPFW-IUCAKERBSA-N -1 0 301.372 -0.084 20 0 DBADRM O=C1O[C@H](Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)CC12CC2 ZINC001593413576 1016879475 /nfs/dbraw/zinc/87/94/75/1016879475.db2.gz VOIYIULPXZVLGB-LURJTMIESA-N -1 0 304.266 -0.775 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1nc(CO)n[nH]1 ZINC001418529348 1004457422 /nfs/dbraw/zinc/45/74/22/1004457422.db2.gz NUKKTGNVZIAPGC-UHFFFAOYSA-N -1 0 309.248 -0.630 20 0 DBADRM O=CN1CCc2cc(C(=O)Cn3cnc(-c4nnn[n-]4)n3)ccc21 ZINC001593413970 1016879575 /nfs/dbraw/zinc/87/95/75/1016879575.db2.gz FBTJCRZXPQIPEG-UHFFFAOYSA-N -1 0 324.304 -0.140 20 0 DBADRM CSCC[C@H](NC(=O)[C@@H]1CCc2nncn2C1)c1nnn[n-]1 ZINC001418529577 1004458206 /nfs/dbraw/zinc/45/82/06/1004458206.db2.gz XJNCDKPTNLMQBF-BDAKNGLRSA-N -1 0 322.398 -0.036 20 0 DBADRM C[C@](O)(CO)CNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001593421208 1016879685 /nfs/dbraw/zinc/87/96/85/1016879685.db2.gz ZNWBCWRYKXVUCT-OAHLLOKOSA-N -1 0 324.333 -0.498 20 0 DBADRM O=CN1CCc2cc(C(=O)Cn3cc(-c4nnn[n-]4)nn3)ccc21 ZINC001593414690 1016880216 /nfs/dbraw/zinc/88/02/16/1016880216.db2.gz UURHNGJRVLAHFJ-UHFFFAOYSA-N -1 0 324.304 -0.140 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])CCS(C)(=O)=O ZINC001418544030 1004466573 /nfs/dbraw/zinc/46/65/73/1004466573.db2.gz YIKJLZWHQHIPMF-UHFFFAOYSA-N -1 0 318.399 -0.480 20 0 DBADRM CCN(CCNC(=O)[C@@H](C)n1cncn1)Cc1n[nH]c(=O)[n-]1 ZINC001418542391 1004466605 /nfs/dbraw/zinc/46/66/05/1004466605.db2.gz KRESVVDCBCHZOU-SECBINFHSA-N -1 0 308.346 -0.699 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001593420482 1016880616 /nfs/dbraw/zinc/88/06/16/1016880616.db2.gz VVHCUQPABUZMJU-NHYWBVRUSA-N -1 0 308.334 -0.078 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001593424968 1016881123 /nfs/dbraw/zinc/88/11/23/1016881123.db2.gz CUEDWTVLHSCEQM-LWPSYJQYSA-N -1 0 324.377 -0.025 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001593426500 1016881394 /nfs/dbraw/zinc/88/13/94/1016881394.db2.gz CKSFWOYTBOQGGK-SDDRHHMPSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001593425617 1016881424 /nfs/dbraw/zinc/88/14/24/1016881424.db2.gz JWFGKBNUMLPANE-QUBYGPBYSA-N -1 0 310.310 -0.668 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001593427351 1016881953 /nfs/dbraw/zinc/88/19/53/1016881953.db2.gz WKQVWMOMTYFVJP-QJXNVACSSA-N -1 0 310.350 -0.513 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001593427348 1016882045 /nfs/dbraw/zinc/88/20/45/1016882045.db2.gz WKQVWMOMTYFVJP-AAEQCHEDSA-N -1 0 310.350 -0.513 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001593426557 1016882058 /nfs/dbraw/zinc/88/20/58/1016882058.db2.gz SHAHWFFYXJDWOT-PSASIEDQSA-N -1 0 300.355 -0.121 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001593424969 1016882156 /nfs/dbraw/zinc/88/21/56/1016882156.db2.gz CUEDWTVLHSCEQM-WKCLZBRGSA-N -1 0 324.377 -0.025 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC001593427204 1016882380 /nfs/dbraw/zinc/88/23/80/1016882380.db2.gz IFJJDYCCBLZDAQ-NSHDSACASA-N -1 0 320.345 -0.021 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001418608927 1004496725 /nfs/dbraw/zinc/49/67/25/1004496725.db2.gz OIOYQKZHBUWFIZ-SNVBAGLBSA-N -1 0 310.358 -0.931 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001418618907 1004503190 /nfs/dbraw/zinc/50/31/90/1004503190.db2.gz WTFPLDCLGJRRHX-RKDXNWHRSA-N -1 0 310.358 -0.898 20 0 DBADRM O=C(NCc1nc([O-])cc(=O)[nH]1)c1ccnc2c1CC(=O)N2 ZINC001418617454 1004503724 /nfs/dbraw/zinc/50/37/24/1004503724.db2.gz DDJCHXWYHVRGJO-UHFFFAOYSA-N -1 0 301.262 -0.293 20 0 DBADRM CN(C(=O)[C@H](CO)NC(=O)OCc1ccccc1)c1nnn[n-]1 ZINC001418624700 1004507841 /nfs/dbraw/zinc/50/78/41/1004507841.db2.gz VHZFIEZMBKXFHB-JTQLQIEISA-N -1 0 320.309 -0.550 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001593433242 1016884252 /nfs/dbraw/zinc/88/42/52/1016884252.db2.gz WTPUXJMTBIJSMP-HQJQHLMTSA-N -1 0 307.306 -0.006 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)C1CC1 ZINC001593447809 1016889681 /nfs/dbraw/zinc/88/96/81/1016889681.db2.gz XXNMMJJAYMZQJP-QXEWZRGKSA-N -1 0 314.338 -0.941 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC001593437361 1016885055 /nfs/dbraw/zinc/88/50/55/1016885055.db2.gz QZSCIMRARBLCRU-WRWGMCAJSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H](O)[C@H]1CCCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001593437742 1016885165 /nfs/dbraw/zinc/88/51/65/1016885165.db2.gz TYTUHOKWNNNJGE-QWRGUYRKSA-N -1 0 315.370 -0.230 20 0 DBADRM C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001593435924 1016885294 /nfs/dbraw/zinc/88/52/94/1016885294.db2.gz ILSVWBVNJNRQLH-KKOKHZNYSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H](O)[C@@H](O)CNC(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC001593438907 1016885437 /nfs/dbraw/zinc/88/54/37/1016885437.db2.gz WYPWOJLIRFBDHZ-RQJHMYQMSA-N -1 0 318.355 -0.191 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC001593439165 1016886258 /nfs/dbraw/zinc/88/62/58/1016886258.db2.gz ZEHNMBAPCPBFNW-RWSFTLGLSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)CC(=O)[O-])C1 ZINC001593437665 1016886333 /nfs/dbraw/zinc/88/63/33/1016886333.db2.gz SOZKGQLDKDJLGR-NXEZZACHSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1 ZINC001593438886 1016886538 /nfs/dbraw/zinc/88/65/38/1016886538.db2.gz WRIFEKVHXNBXJX-YRORDHRNSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@H](O)C[C@H]1COCCN1C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001593448829 1016889791 /nfs/dbraw/zinc/88/97/91/1016889791.db2.gz VJHQRZIYWMNDBN-YBXAARCKSA-N -1 0 301.339 -0.137 20 0 DBADRM O=S(=O)(NCCn1cnc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001593443126 1016887981 /nfs/dbraw/zinc/88/79/81/1016887981.db2.gz MDQYGVJJVAIXHH-UHFFFAOYSA-N -1 0 320.338 -0.563 20 0 DBADRM C[C@@H](O)C[C@@H](C)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001593441509 1016888490 /nfs/dbraw/zinc/88/84/90/1016888490.db2.gz QAWBYRGKJZODAW-IMSYWVGJSA-N -1 0 303.359 -0.330 20 0 DBADRM O=S(=O)(NC[C@@H]1CCCO1)c1cccnc1-c1nnn[n-]1 ZINC001593443095 1016888510 /nfs/dbraw/zinc/88/85/10/1016888510.db2.gz LFZBRBRAYOLFIG-QMMMGPOBSA-N -1 0 310.339 -0.281 20 0 DBADRM C[C@@H](O)C[C@@H]1COCCN1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001593446827 1016890154 /nfs/dbraw/zinc/89/01/54/1016890154.db2.gz FKIDSMFBRQTHPI-DDHJBXDOSA-N -1 0 316.354 -0.343 20 0 DBADRM C[C@H](O)C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001593447982 1016890528 /nfs/dbraw/zinc/89/05/28/1016890528.db2.gz OGULXYUEZVTQQF-YUMQZZPRSA-N -1 0 319.339 -0.732 20 0 DBADRM CCCN(CCNC(=O)[C@H]1CCNC(=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001418712857 1004593251 /nfs/dbraw/zinc/59/32/51/1004593251.db2.gz MHQSIGUVSQODIA-JTQLQIEISA-N -1 0 324.385 -0.635 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N(C1CC1)C1COC1 ZINC001593457825 1016890888 /nfs/dbraw/zinc/89/08/88/1016890888.db2.gz RILRHYHZZHDORG-UHFFFAOYSA-N -1 0 322.350 -0.186 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1CCC[C@H](O)C1 ZINC001593457304 1016891057 /nfs/dbraw/zinc/89/10/57/1016891057.db2.gz KVBNUNYVBDHHRE-QMMMGPOBSA-N -1 0 310.339 -0.593 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H]1CCO ZINC001593454713 1016891666 /nfs/dbraw/zinc/89/16/66/1016891666.db2.gz NNDOSYJMZIXVFQ-MRVPVSSYSA-N -1 0 313.339 -0.005 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1CCc2c[nH]nc2C1 ZINC001593455139 1016891746 /nfs/dbraw/zinc/89/17/46/1016891746.db2.gz SGEVYNLLOWQEFA-UHFFFAOYSA-N -1 0 321.322 -0.070 20 0 DBADRM C[C@@H](O)CN(CC(=O)Nc1cccc(C(=O)[O-])n1)[C@H](C)CO ZINC001593459877 1016892082 /nfs/dbraw/zinc/89/20/82/1016892082.db2.gz UBUQSHDBJCRDNW-NXEZZACHSA-N -1 0 311.338 -0.218 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)CN(C)C(C)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001418747571 1004612963 /nfs/dbraw/zinc/61/29/63/1004612963.db2.gz CJIRGTQTZZUCOQ-WDEREUQCSA-N -1 0 324.385 -0.542 20 0 DBADRM C[C@@H](O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001593464272 1016893122 /nfs/dbraw/zinc/89/31/22/1016893122.db2.gz ZWAWAVBOQMZECG-SECBINFHSA-N -1 0 318.351 -0.335 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)c2cnc(C(=O)[O-])cn2)[C@@H](C)C1 ZINC001593462716 1016893959 /nfs/dbraw/zinc/89/39/59/1016893959.db2.gz NVAYLMIWFSADAT-VHSXEESVSA-N -1 0 308.338 -0.298 20 0 DBADRM C[C@@H](O)[C@H]1CCCN1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001593470509 1016895888 /nfs/dbraw/zinc/89/58/88/1016895888.db2.gz BCBWKYUSKBQAKJ-AXTSPUMRSA-N -1 0 301.343 -0.481 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])nn1 ZINC001593477356 1016896589 /nfs/dbraw/zinc/89/65/89/1016896589.db2.gz PRICGVJYPNFUTE-NTSWFWBYSA-N -1 0 310.232 -0.147 20 0 DBADRM C/C(=C/C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001496360463 1016896753 /nfs/dbraw/zinc/89/67/53/1016896753.db2.gz BIVFMUWNCGHDJL-CLFYSBASSA-N -1 0 323.353 -0.380 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1Cc1ccc(Cl)nn1 ZINC001593489454 1016897939 /nfs/dbraw/zinc/89/79/39/1016897939.db2.gz OFXCEVQRSONSST-UHFFFAOYSA-N -1 0 306.673 -0.379 20 0 DBADRM O=C(CNC(=O)C1CCCCC1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001418862648 1004692120 /nfs/dbraw/zinc/69/21/20/1004692120.db2.gz GZAVSOFCBIVEFG-NSHDSACASA-N -1 0 322.369 -0.204 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N2CCOC[C@@H]2c2nnn[n-]2)C1 ZINC001418863697 1004692637 /nfs/dbraw/zinc/69/26/37/1004692637.db2.gz ODNBPGQCPOUBTO-GHMZBOCLSA-N -1 0 308.342 -0.642 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)O[C@@H](C)C(=O)C(=O)[O-] ZINC001593491213 1016898474 /nfs/dbraw/zinc/89/84/74/1016898474.db2.gz LMCQXKPIVSOIKJ-CSMHCCOUSA-N -1 0 303.311 -0.517 20 0 DBADRM O=c1c(-c2nnn[n-]2)c2c(cn1CN1CC[C@H]1CO)CCC2 ZINC001593492389 1016898802 /nfs/dbraw/zinc/89/88/02/1016898802.db2.gz NXMDSRCNZDETDJ-JTQLQIEISA-N -1 0 302.338 -0.459 20 0 DBADRM CN(CCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C(=O)C1CC1 ZINC001418918135 1004713509 /nfs/dbraw/zinc/71/35/09/1004713509.db2.gz RRWCBVGGWIHMAS-UHFFFAOYSA-N -1 0 308.386 -0.504 20 0 DBADRM C[C@H](OC(=O)C1CCC(NC(N)=O)CC1)C(=O)NCC(=O)[O-] ZINC001593503505 1016901028 /nfs/dbraw/zinc/90/10/28/1016901028.db2.gz WLEYSBSLJXRICN-UEJVZZJDSA-N -1 0 315.326 -0.654 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCCCS1(=O)=O)C(=O)NCC(=O)[O-] ZINC001593503138 1016901080 /nfs/dbraw/zinc/90/10/80/1016901080.db2.gz STPHJORZGMQMIX-JGVFFNPUSA-N -1 0 307.324 -0.914 20 0 DBADRM C[C@@H](OC(=O)C1(O)Cc2ccccc2C1)C(=O)NCC(=O)[O-] ZINC001593496946 1016900867 /nfs/dbraw/zinc/90/08/67/1016900867.db2.gz RLQWKRAUGJJAHX-SECBINFHSA-N -1 0 307.302 -0.351 20 0 DBADRM Cc1ccn([C@@H](C)CC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001418988452 1004751080 /nfs/dbraw/zinc/75/10/80/1004751080.db2.gz AQHSXTMXSIVATO-JTQLQIEISA-N -1 0 319.369 -0.033 20 0 DBADRM C[C@@H](OC(=O)CCCC(=O)[O-])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001593516972 1016903730 /nfs/dbraw/zinc/90/37/30/1016903730.db2.gz VWJDWHWPTYHZPM-NXEZZACHSA-N -1 0 314.338 -0.103 20 0 DBADRM O=C(CC1CCOCC1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001419015370 1004766689 /nfs/dbraw/zinc/76/66/89/1004766689.db2.gz RHXDRVOWYGPUPS-UHFFFAOYSA-N -1 0 309.370 -0.125 20 0 DBADRM C[C@@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)C(=O)[O-] ZINC001593517325 1016905115 /nfs/dbraw/zinc/90/51/15/1016905115.db2.gz VSHQUJPSCBOUIT-SSDOTTSWSA-N -1 0 307.324 -0.757 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001419040984 1004781487 /nfs/dbraw/zinc/78/14/87/1004781487.db2.gz CGENDWKUUTWUKN-SECBINFHSA-N -1 0 302.342 -0.236 20 0 DBADRM CN(C)c1noc(CCC(=O)N2CC[C@H](c3nnn[n-]3)C2)n1 ZINC001419045178 1004782447 /nfs/dbraw/zinc/78/24/47/1004782447.db2.gz XVVJBQIPIVWZIJ-QMMMGPOBSA-N -1 0 306.330 -0.403 20 0 DBADRM COc1ncnc(OC)c1C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001419043496 1004783263 /nfs/dbraw/zinc/78/32/63/1004783263.db2.gz PECKGBNVYKLFLR-SSDOTTSWSA-N -1 0 305.298 -0.363 20 0 DBADRM C[C@@H](OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)C(=O)[O-] ZINC001593528563 1016907394 /nfs/dbraw/zinc/90/73/94/1016907394.db2.gz YIKWQNZRSGWKTE-CAAJLBCPSA-N -1 0 312.278 -0.708 20 0 DBADRM C[C@@H](OC(=O)CCc1nnc[nH]1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593528517 1016908088 /nfs/dbraw/zinc/90/80/88/1016908088.db2.gz XAUGBIAAXFXYSF-SECBINFHSA-N -1 0 324.337 -0.008 20 0 DBADRM OCC[C@H]1CN(Cc2nc(-c3nn[nH]n3)cs2)C[C@H]1CO ZINC001593530547 1016908579 /nfs/dbraw/zinc/90/85/79/1016908579.db2.gz KIMJAWLRHUUWJI-IUCAKERBSA-N -1 0 310.383 -0.254 20 0 DBADRM O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnco1 ZINC001419130559 1004815646 /nfs/dbraw/zinc/81/56/46/1004815646.db2.gz AUAFTOGTAOTFJI-UHFFFAOYSA-N -1 0 321.341 -0.954 20 0 DBADRM C[C@H](OC(=O)CCn1nnc2ccccc2c1=O)C(=O)C(=O)[O-] ZINC001593528010 1016909093 /nfs/dbraw/zinc/90/90/93/1016909093.db2.gz OVCKCMPOTZEGDM-QMMMGPOBSA-N -1 0 319.273 -0.233 20 0 DBADRM C[C@@H](OC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)C(=O)C(=O)[O-] ZINC001593527286 1016909327 /nfs/dbraw/zinc/90/93/27/1016909327.db2.gz DYPFZYUXQAPMTP-RKDXNWHRSA-N -1 0 311.294 -0.512 20 0 DBADRM CS[C@@H](C)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001419547540 1004897192 /nfs/dbraw/zinc/89/71/92/1004897192.db2.gz ASEXDDCFGBRSGN-DTWKUNHWSA-N -1 0 315.399 -0.421 20 0 DBADRM COC[C@@H](NC(=O)c1nn(C)c2c1CCCC2)c1nnn[n-]1 ZINC001419557011 1004899179 /nfs/dbraw/zinc/89/91/79/1004899179.db2.gz TWXRPQUQOHEBJE-SECBINFHSA-N -1 0 305.342 -0.071 20 0 DBADRM COC[C@@H](NC(=O)c1cn2c(n1)C[C@H](OC)CC2)c1nnn[n-]1 ZINC001419556906 1004899257 /nfs/dbraw/zinc/89/92/57/1004899257.db2.gz RMZBBMKTLDDXHC-PSASIEDQSA-N -1 0 321.341 -0.525 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001419595092 1004913447 /nfs/dbraw/zinc/91/34/47/1004913447.db2.gz NSPHJTGWEDSVQJ-ONGXEEELSA-N -1 0 309.374 -0.326 20 0 DBADRM C[C@H](OC(=O)c1cnc(C(=O)[O-])cn1)C(=O)NC(=O)NC1CC1 ZINC001593597454 1016927315 /nfs/dbraw/zinc/92/73/15/1016927315.db2.gz ZADZTDIIAFQFCC-LURJTMIESA-N -1 0 322.277 -0.292 20 0 DBADRM C[C@H](OC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)C(=O)[O-] ZINC001593599428 1016927693 /nfs/dbraw/zinc/92/76/93/1016927693.db2.gz HDZWJCPLVYWTJR-LURJTMIESA-N -1 0 319.291 -0.271 20 0 DBADRM Cn1ccc(C2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)n1 ZINC001419782328 1004978749 /nfs/dbraw/zinc/97/87/49/1004978749.db2.gz HQHNGNXGDVLHEF-UHFFFAOYSA-N -1 0 306.326 -0.171 20 0 DBADRM CCOCC(=O)N(C)CCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001419939410 1005021956 /nfs/dbraw/zinc/02/19/56/1005021956.db2.gz JMZGKXKOWXHVII-UHFFFAOYSA-N -1 0 321.381 -0.051 20 0 DBADRM C[C@H](OC(=O)c1coc(C(N)=O)c1)c1cn(CC(=O)[O-])nn1 ZINC001593599454 1016930471 /nfs/dbraw/zinc/93/04/71/1016930471.db2.gz HQWPCNCKLFBRHV-LURJTMIESA-N -1 0 308.250 -0.027 20 0 DBADRM C[C@@H](OC(=O)c1ccn(CC(F)F)n1)C(=O)NCC(=O)[O-] ZINC001593592736 1016930694 /nfs/dbraw/zinc/93/06/94/1016930694.db2.gz YBRLSMQYWSEQGY-ZCFIWIBFSA-N -1 0 305.237 -0.106 20 0 DBADRM Cc1nn(C)cc1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001419950685 1005028454 /nfs/dbraw/zinc/02/84/54/1005028454.db2.gz AOJUPAQCEWRTHC-UHFFFAOYSA-N -1 0 307.358 -0.244 20 0 DBADRM C[C@H](OCC1CC1)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001593603720 1016931155 /nfs/dbraw/zinc/93/11/55/1016931155.db2.gz DIIKDKIDHGXLAR-WPRPVWTQSA-N -1 0 305.352 -0.488 20 0 DBADRM CN(CCN(C)C(=O)CCc1c[nH]cn1)Cc1n[nH]c(=O)[n-]1 ZINC001419970343 1005035492 /nfs/dbraw/zinc/03/54/92/1005035492.db2.gz JVAPGKGSAFVANG-UHFFFAOYSA-N -1 0 307.358 -0.244 20 0 DBADRM C[C@@H](Oc1cccnc1)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001593656388 1016931955 /nfs/dbraw/zinc/93/19/55/1016931955.db2.gz ZXOPJTIJFVNKKH-MWLCHTKSSA-N -1 0 305.294 -0.290 20 0 DBADRM C[C@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ncon1 ZINC001420005916 1005049375 /nfs/dbraw/zinc/04/93/75/1005049375.db2.gz BMXAGJLZGXMJCM-SSDOTTSWSA-N -1 0 303.282 -0.626 20 0 DBADRM C[C@H](Sc1ccccc1C(=O)NC[C@H](O)C(=O)[O-])C(N)=O ZINC001593672445 1016933354 /nfs/dbraw/zinc/93/33/54/1016933354.db2.gz FBLVKNKTOBWVMY-CBAPKCEASA-N -1 0 312.347 -0.172 20 0 DBADRM C[C@H](S[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC001593659404 1016933401 /nfs/dbraw/zinc/93/34/01/1016933401.db2.gz SJVVCEZEUVQNJL-WDSKDSINSA-N -1 0 315.351 -0.556 20 0 DBADRM C[C@@]1(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CCNC(=O)C1 ZINC001593745253 1016934709 /nfs/dbraw/zinc/93/47/09/1016934709.db2.gz IFPADLUCOMGAIZ-LKFCYVNXSA-N -1 0 321.337 -0.334 20 0 DBADRM C[C@]1(C(=O)N2CC(O)(C(=O)[O-])C2)Cc2ccccc2C(=O)O1 ZINC001593745292 1016935002 /nfs/dbraw/zinc/93/50/02/1016935002.db2.gz JLJRIFHDXRKHTD-CQSZACIVSA-N -1 0 305.286 -0.184 20 0 DBADRM C[C@@H](c1nccc(N)n1)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001593738128 1016935358 /nfs/dbraw/zinc/93/53/58/1016935358.db2.gz XBUVZBZVKRGDCK-IUCAKERBSA-N -1 0 314.367 -0.307 20 0 DBADRM O=C(N[C@H]1CC12CC(O)C2)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001420092236 1005078366 /nfs/dbraw/zinc/07/83/66/1005078366.db2.gz KGEBKYVNBMQBPJ-VTWZXRTESA-N -1 0 316.317 -0.091 20 0 DBADRM C[C@]1(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)Oc2ccccc2NC1=O ZINC001593745659 1016936320 /nfs/dbraw/zinc/93/63/20/1016936320.db2.gz WJHPJBXSOCTCHQ-GJZGRUSLSA-N -1 0 320.301 -0.176 20 0 DBADRM C[C@]1(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)CCCS1(=O)=O ZINC001593748942 1016937487 /nfs/dbraw/zinc/93/74/87/1016937487.db2.gz DQVOIRFDLSVUCM-OPQQBVKSSA-N -1 0 319.379 -0.193 20 0 DBADRM C[C@]1(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)CCOC1 ZINC001593753554 1016938286 /nfs/dbraw/zinc/93/82/86/1016938286.db2.gz DEWOJRCTRTXAQV-AWEZNQCLSA-N -1 0 308.338 -0.059 20 0 DBADRM C[C@]1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CCCO1 ZINC001593756122 1016938359 /nfs/dbraw/zinc/93/83/59/1016938359.db2.gz CISZYSAZTBEPGV-XXILOJSOSA-N -1 0 305.352 -0.440 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)CN1CCCCC(=O)C1=O ZINC001593769022 1016939380 /nfs/dbraw/zinc/93/93/80/1016939380.db2.gz VUWXFAGSJHSSQE-UHFFFAOYSA-N -1 0 322.369 -0.234 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)C1 ZINC001593783352 1016940231 /nfs/dbraw/zinc/94/02/31/1016940231.db2.gz IOPXIFSRDIUQFQ-BONVTDFDSA-N -1 0 320.349 -0.294 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)OCCCC(=O)C(=O)[O-] ZINC001593822602 1016941142 /nfs/dbraw/zinc/94/11/42/1016941142.db2.gz KSMWXNRMLPKFOA-UHFFFAOYSA-N -1 0 300.267 -0.706 20 0 DBADRM C[C@]1(C(=O)OCCCc2cn(CC(=O)[O-])nn2)CCC(=O)NC1 ZINC001593814119 1016942137 /nfs/dbraw/zinc/94/21/37/1016942137.db2.gz VVRVXHFQEWCYPB-AWEZNQCLSA-N -1 0 324.337 -0.245 20 0 DBADRM C[C@]1(CCF)NC(=O)N(CCC(=O)NCCC(=O)[O-])C1=O ZINC001594006116 1016948816 /nfs/dbraw/zinc/94/88/16/1016948816.db2.gz BYPOAJADHMTWEA-GFCCVEGCSA-N -1 0 303.290 -0.363 20 0 DBADRM C[C@]1(CCCC(=O)N[C@]2(C(=O)[O-])CCOC2)NC(=O)NC1=O ZINC001594002940 1016948857 /nfs/dbraw/zinc/94/88/57/1016948857.db2.gz YZRWZHJTQQQTNE-CHWSQXEVSA-N -1 0 313.310 -0.885 20 0 DBADRM C[C@]1(CNC(=O)NCCC(=O)NCCC(=O)[O-])CCOC1 ZINC001594020884 1016948946 /nfs/dbraw/zinc/94/89/46/1016948946.db2.gz XRVPNKBXUJUIJI-CYBMUJFWSA-N -1 0 301.343 -0.307 20 0 DBADRM CC1(C)CCC[C@@H](CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])O1 ZINC001593884727 1016943144 /nfs/dbraw/zinc/94/31/44/1016943144.db2.gz FLLUDXHZBDWYQH-IUCAKERBSA-N -1 0 304.318 -0.011 20 0 DBADRM CCOC(=O)c1cn(C)cc1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001420209193 1005155952 /nfs/dbraw/zinc/15/59/52/1005155952.db2.gz FWIJFQGLMSWUIY-UHFFFAOYSA-N -1 0 309.282 -0.157 20 0 DBADRM CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)c1scnc1C(=O)[O-] ZINC001593948827 1016944571 /nfs/dbraw/zinc/94/45/71/1016944571.db2.gz MPVUFFZJEUFAJP-LURJTMIESA-N -1 0 319.364 -0.356 20 0 DBADRM CC1(C)C[S@@](=O)CCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001593960613 1016944697 /nfs/dbraw/zinc/94/46/97/1016944697.db2.gz GQLIDSLIODUUGE-IBGZPJMESA-N -1 0 321.380 -0.361 20 0 DBADRM CC1(C)COC(=O)[C@H]1NC(=O)COCc1ocnc1C(=O)[O-] ZINC001593953498 1016944741 /nfs/dbraw/zinc/94/47/41/1016944741.db2.gz VVHTXKJWEUUTNM-SNVBAGLBSA-N -1 0 312.278 -0.043 20 0 DBADRM CN(CCNC(=O)c1n[nH]c2c1CCC2)Cc1n[nH]c(=O)[n-]1 ZINC001420248179 1005170568 /nfs/dbraw/zinc/17/05/68/1005170568.db2.gz RTNRCTMAFRNFKA-UHFFFAOYSA-N -1 0 305.342 -0.416 20 0 DBADRM C[C@@]1(CC(=O)NC2CC(CC(=O)[O-])C2)CCS(=O)(=O)N1 ZINC001593997796 1016946484 /nfs/dbraw/zinc/94/64/84/1016946484.db2.gz QFYISLZMAKAPEQ-KWPJZBAWSA-N -1 0 304.368 -0.172 20 0 DBADRM C[C@]1(CCCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])NC(=O)NC1=O ZINC001594002243 1016946942 /nfs/dbraw/zinc/94/69/42/1016946942.db2.gz RBSKTUQTCAVFSC-WIMUKIRHSA-N -1 0 313.310 -0.887 20 0 DBADRM C[C@@]1(CCCC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])NC(=O)NC1=O ZINC001594000620 1016947189 /nfs/dbraw/zinc/94/71/89/1016947189.db2.gz GEVHKWWWBXZQHZ-UPFKWVMWSA-N -1 0 315.301 -0.222 20 0 DBADRM C[C@]1(CCC(=O)N[C@H](Cn2ccnc2)C(=O)[O-])CCC(=O)N1 ZINC001593999169 1016947897 /nfs/dbraw/zinc/94/78/97/1016947897.db2.gz GBYHUKHDZBXIAI-YGRLFVJLSA-N -1 0 308.338 -0.099 20 0 DBADRM C[C@]1(CCCC(=O)N[C@@]2(C(=O)[O-])CCOC2)NC(=O)NC1=O ZINC001594002943 1016949502 /nfs/dbraw/zinc/94/95/02/1016949502.db2.gz YZRWZHJTQQQTNE-OLZOCXBDSA-N -1 0 313.310 -0.885 20 0 DBADRM CC1=C(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)Cn2nnnc2N1C ZINC001594090425 1016955452 /nfs/dbraw/zinc/95/54/52/1016955452.db2.gz MJCXDBSBDLCUID-DTORHVGOSA-N -1 0 306.326 -0.282 20 0 DBADRM C[C@]1(CO)C[C@@H](O)CN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594032002 1016949938 /nfs/dbraw/zinc/94/99/38/1016949938.db2.gz KIYDZDRUTQBBNQ-YMTOWFKASA-N -1 0 309.322 -0.464 20 0 DBADRM COCCN(CCC(=O)OC(C)(C)C)CC(=O)NCC(=O)[O-] ZINC001594011390 1016950462 /nfs/dbraw/zinc/95/04/62/1016950462.db2.gz BGHIDNJULQOGQY-UHFFFAOYSA-N -1 0 318.370 -0.133 20 0 DBADRM C[C@]1(CO)CCCN1C(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001594031162 1016950503 /nfs/dbraw/zinc/95/05/03/1016950503.db2.gz ZEFJMSFYQNIMIV-IAQYHMDHSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@]1(CCNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)CC1(F)F ZINC001594007379 1016950600 /nfs/dbraw/zinc/95/06/00/1016950600.db2.gz ZDAIUIVVKPMPBL-JTQLQIEISA-N -1 0 306.265 -0.804 20 0 DBADRM C[C@@]1(F)CNCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001594047130 1016952016 /nfs/dbraw/zinc/95/20/16/1016952016.db2.gz LNCKMFQQGIRLCV-GFCCVEGCSA-N -1 0 323.390 -0.339 20 0 DBADRM CC1(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCN(C(=O)c2cn[nH]n2)CC1 ZINC001594051265 1016952162 /nfs/dbraw/zinc/95/21/62/1016952162.db2.gz CLSRXTLWHTWPTH-BDAKNGLRSA-N -1 0 321.337 -0.364 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1cncn1C ZINC001420401845 1005246294 /nfs/dbraw/zinc/24/62/94/1005246294.db2.gz SKGMDAHKLIIIIB-UHFFFAOYSA-N -1 0 321.341 -0.732 20 0 DBADRM CC1(Cn2cc(C(=O)NCCSCC(=O)[O-])nn2)COC1 ZINC001594044052 1016953341 /nfs/dbraw/zinc/95/33/41/1016953341.db2.gz WHNKRWVWMQDNMD-UHFFFAOYSA-N -1 0 314.367 -0.138 20 0 DBADRM C[C@@]1(CO)C[C@@H](O)CN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001594033121 1016953559 /nfs/dbraw/zinc/95/35/59/1016953559.db2.gz VIEHIIHDXKPNMH-SKDRFNHKSA-N -1 0 316.335 -0.714 20 0 DBADRM CC1(Cn2cc(C(=O)N3CCOC[C@@H]3C(=O)[O-])nn2)COC1 ZINC001594043251 1016953853 /nfs/dbraw/zinc/95/38/53/1016953853.db2.gz ITTGHAMNFMHEBW-SNVBAGLBSA-N -1 0 310.310 -0.760 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001420487084 1005277296 /nfs/dbraw/zinc/27/72/96/1005277296.db2.gz URMPKMMCIOCUEB-GHMZBOCLSA-N -1 0 324.385 -0.494 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001594031633 1016949225 /nfs/dbraw/zinc/94/92/25/1016949225.db2.gz BGKBKKCYMVRIJN-GXFFZTMASA-N -1 0 315.347 -0.109 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594120340 1016958761 /nfs/dbraw/zinc/95/87/61/1016958761.db2.gz FPKFYZNCADOIMH-DTORHVGOSA-N -1 0 315.351 -0.157 20 0 DBADRM CC1=NO[C@H](C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001594113884 1016959533 /nfs/dbraw/zinc/95/95/33/1016959533.db2.gz PGWWTBAYHFQQKE-FZMZJTMJSA-N -1 0 311.338 -0.461 20 0 DBADRM O=C(C[C@H]1CCOC1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001420515317 1005288363 /nfs/dbraw/zinc/28/83/63/1005288363.db2.gz IJUFFHHPOCQZSD-MNOVXSKESA-N -1 0 309.370 -0.125 20 0 DBADRM O=C(COCC(F)F)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001420535379 1005297006 /nfs/dbraw/zinc/29/70/06/1005297006.db2.gz DIODHJQTRBPYCZ-MRVPVSSYSA-N -1 0 319.312 -0.270 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)Cc2nnn(C)n2)c1[O-] ZINC001420551674 1005300946 /nfs/dbraw/zinc/30/09/46/1005300946.db2.gz HFIAOONBSRLOKW-ZETCQYMHSA-N -1 0 308.346 -0.802 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594129952 1016961266 /nfs/dbraw/zinc/96/12/66/1016961266.db2.gz KSMHVNPHRAAWGA-SSDOTTSWSA-N -1 0 306.278 -0.935 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCOC(F)(F)F ZINC001594136912 1016961547 /nfs/dbraw/zinc/96/15/47/1016961547.db2.gz AJLCKLJOVXFZBT-BQBZGAKWSA-N -1 0 312.244 -0.039 20 0 DBADRM COc1cccc(OC)c1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001594131721 1016961563 /nfs/dbraw/zinc/96/15/63/1016961563.db2.gz ZSSSBQWMUXLOGR-GFCCVEGCSA-N -1 0 319.335 -0.182 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC001594130747 1016961795 /nfs/dbraw/zinc/96/17/95/1016961795.db2.gz XJQRYEJHQXUOAK-LURJTMIESA-N -1 0 311.319 -0.268 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001594126708 1016961898 /nfs/dbraw/zinc/96/18/98/1016961898.db2.gz RLQHKOWMCQEFQP-WPRPVWTQSA-N -1 0 311.338 -0.750 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001594129301 1016961912 /nfs/dbraw/zinc/96/19/12/1016961912.db2.gz CVZWZYWYDKKGAT-ZCFIWIBFSA-N -1 0 311.319 -0.268 20 0 DBADRM COc1cccc([C@@H](O)CNC(=O)c2cn(CC(=O)[O-])nn2)c1 ZINC001594123931 1016962096 /nfs/dbraw/zinc/96/20/96/1016962096.db2.gz KSDSPIVYKWGNCR-LBPRGKRZSA-N -1 0 320.305 -0.165 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N(C)CCn1cccn1 ZINC001594136698 1016962174 /nfs/dbraw/zinc/96/21/74/1016962174.db2.gz ROAMCPGTCFBLKJ-GHMZBOCLSA-N -1 0 308.338 -0.337 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CCC(=O)N1C ZINC001420616443 1005322025 /nfs/dbraw/zinc/32/20/25/1005322025.db2.gz MQXNHAIVYRTJBE-DTWKUNHWSA-N -1 0 310.358 -0.932 20 0 DBADRM C[C@]12COC[C@@H]1CN(C(=O)C(=O)NC1CC(CC(=O)[O-])C1)C2 ZINC001594088571 1016955716 /nfs/dbraw/zinc/95/57/16/1016955716.db2.gz QZIJOGGMIKAPIQ-GTVYLXLFSA-N -1 0 310.350 -0.149 20 0 DBADRM CC1=C(C(=O)N[C@H](CC(F)F)C(=O)[O-])Cn2nnnc2N1C ZINC001594091784 1016956165 /nfs/dbraw/zinc/95/61/65/1016956165.db2.gz BRTGTYPXQJTEIQ-SSDOTTSWSA-N -1 0 316.268 -0.379 20 0 DBADRM C[C@@]12CN(C(=O)CCSCC(=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001594087191 1016956201 /nfs/dbraw/zinc/95/62/01/1016956201.db2.gz BIJJOHUXLACKJO-STQMWFEESA-N -1 0 314.363 -0.295 20 0 DBADRM C[C@]1(NS(=O)(=O)c2scnc2C(=O)[O-])CCNC1=O ZINC001594065698 1016956726 /nfs/dbraw/zinc/95/67/26/1016956726.db2.gz DRNPIRWPBRLKLE-VIFPVBQESA-N -1 0 305.337 -0.602 20 0 DBADRM C[C@@]12COC[C@H]1CN(S(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C2 ZINC001594090017 1016956930 /nfs/dbraw/zinc/95/69/30/1016956930.db2.gz CQCTWPZZYLXBGA-RDDDGLTNSA-N -1 0 301.324 -0.235 20 0 DBADRM CC1(O)CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1 ZINC001594067128 1016956976 /nfs/dbraw/zinc/95/69/76/1016956976.db2.gz ZBKBFCHONJIALE-FTGAXOIBSA-N -1 0 310.350 -0.271 20 0 DBADRM C[C@@]1(NS(=O)(=O)[C@@H]2COC[C@H]2O)CCCC[C@@H]1C(=O)[O-] ZINC001594062325 1016957029 /nfs/dbraw/zinc/95/70/29/1016957029.db2.gz ZLJYXUUUMIRPHE-DNRKLUKYSA-N -1 0 307.368 -0.301 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC(c2[nH]nc3c2COCC3)C1 ZINC001420656442 1005332281 /nfs/dbraw/zinc/33/22/81/1005332281.db2.gz OASPNJZXNOFIEL-UHFFFAOYSA-N -1 0 318.293 -0.682 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)Nc2n[nH]cc2C(N)=O)cc1=O ZINC001420666137 1005335535 /nfs/dbraw/zinc/33/55/35/1005335535.db2.gz YADPKPRJHXKBLG-UHFFFAOYSA-N -1 0 306.326 -0.164 20 0 DBADRM COc1cccc(C(=O)NCCNC(=O)[C@@H](OC)C(=O)[O-])c1 ZINC001594121701 1016957734 /nfs/dbraw/zinc/95/77/34/1016957734.db2.gz FVESUGATKOQBAS-LLVKDONJSA-N -1 0 310.306 -0.359 20 0 DBADRM CC1=C(C(=O)NCC2(C(=O)[O-])CC2)[C@@H](C)n2nnnc2N1C ZINC001594093906 1016958054 /nfs/dbraw/zinc/95/80/54/1016958054.db2.gz RCSZBJGZRXBELE-MRVPVSSYSA-N -1 0 306.326 -0.061 20 0 DBADRM CC1=NO[C@H](C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001594113886 1016958145 /nfs/dbraw/zinc/95/81/45/1016958145.db2.gz PGWWTBAYHFQQKE-SMDDNHRTSA-N -1 0 311.338 -0.461 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001594120486 1016958550 /nfs/dbraw/zinc/95/85/50/1016958550.db2.gz LLXDQWQVMNPRRE-BDAKNGLRSA-N -1 0 315.351 -0.157 20 0 DBADRM CC1=C(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])C(=O)OC1(C)C ZINC001594092139 1016958572 /nfs/dbraw/zinc/95/85/72/1016958572.db2.gz MDTSJTDGLSTGGW-MRVPVSSYSA-N -1 0 308.294 -0.501 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC001594138244 1016964730 /nfs/dbraw/zinc/96/47/30/1016964730.db2.gz IXUAVSAERLYHMD-GMTAPVOTSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001594139779 1016964743 /nfs/dbraw/zinc/96/47/43/1016964743.db2.gz VSCNZLKMERTZOP-MIMYLULJSA-N -1 0 320.349 -0.295 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC001594142834 1016967054 /nfs/dbraw/zinc/96/70/54/1016967054.db2.gz WTYBJNGSIKOCFZ-WPRPVWTQSA-N -1 0 307.306 -0.355 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCc1nnc2n1CCNC2=O ZINC001594154075 1016967125 /nfs/dbraw/zinc/96/71/25/1016967125.db2.gz TXPVFIVLVRGRCP-YUMQZZPRSA-N -1 0 322.325 -0.974 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCCCN1C(=O)CNC1=O ZINC001594149733 1016967433 /nfs/dbraw/zinc/96/74/33/1016967433.db2.gz NFOCLJRPLAATSV-IUCAKERBSA-N -1 0 312.326 -0.567 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC001594144849 1016967717 /nfs/dbraw/zinc/96/77/17/1016967717.db2.gz GWJOLWDBGNXWMW-KGASVMDVSA-N -1 0 321.333 -0.581 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001594142254 1016967868 /nfs/dbraw/zinc/96/78/68/1016967868.db2.gz RFZKJLZTNFCWPX-BUNZCYNESA-N -1 0 308.334 -0.400 20 0 DBADRM CS(=O)(=O)[C@H]1CCN(C(=O)C2(CC(=O)[O-])CCOCC2)C1 ZINC001594164564 1016972435 /nfs/dbraw/zinc/97/24/35/1016972435.db2.gz UROXLNOIBQRDAB-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM COc1ccccc1[C@H](O)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001594144252 1016968616 /nfs/dbraw/zinc/96/86/16/1016968616.db2.gz UKHGRWKXUSLMRP-LBPRGKRZSA-N -1 0 322.317 -0.516 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CNC(=O)c1ncccc1O ZINC001594146925 1016968810 /nfs/dbraw/zinc/96/88/10/1016968810.db2.gz IGYVVWMTHMANSE-BDAKNGLRSA-N -1 0 307.306 -0.161 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC001594142831 1016969011 /nfs/dbraw/zinc/96/90/11/1016969011.db2.gz WTYBJNGSIKOCFZ-SCZZXKLOSA-N -1 0 307.306 -0.355 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)N[C@@H]1CCc2nnnn2CC1 ZINC001594148257 1016969153 /nfs/dbraw/zinc/96/91/53/1016969153.db2.gz AZZXLDRYQSDKAO-OPRDCNLKSA-N -1 0 308.342 -0.117 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCCN(CN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC001594164016 1016972524 /nfs/dbraw/zinc/97/25/24/1016972524.db2.gz KPQJFMWOXOPORZ-GHMZBOCLSA-N -1 0 318.395 -0.224 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001594163590 1016969937 /nfs/dbraw/zinc/96/99/37/1016969937.db2.gz FIVUNLKZNPUGKQ-SKDRFNHKSA-N -1 0 305.352 -0.344 20 0 DBADRM COc1ncc(/C=C/C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001594156964 1016970366 /nfs/dbraw/zinc/97/03/66/1016970366.db2.gz JFASYTYRLPGFLO-PBKGFPTLSA-N -1 0 321.289 -0.273 20 0 DBADRM COc1ncnc(OC)c1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC001594159262 1016970554 /nfs/dbraw/zinc/97/05/54/1016970554.db2.gz IRJWLOVYOYIQPB-UHFFFAOYSA-N -1 0 308.254 -0.578 20 0 DBADRM CS(=O)(=O)C1(C(=O)O[C@@H](C(=O)[O-])C2CC2)CCOCC1 ZINC001594162731 1016970624 /nfs/dbraw/zinc/97/06/24/1016970624.db2.gz VSSNOUYQQITWNL-SECBINFHSA-N -1 0 306.336 -0.013 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001594159822 1016970972 /nfs/dbraw/zinc/97/09/72/1016970972.db2.gz YJVSZCWBKNGBCM-BDAKNGLRSA-N -1 0 322.321 -0.007 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)[C@H](C(=O)[O-])C2CCCC2)C1 ZINC001594167587 1016972672 /nfs/dbraw/zinc/97/26/72/1016972672.db2.gz ALDXEEVGMHRRAD-LLVKDONJSA-N -1 0 318.395 -0.115 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)NCCCCCC(=O)[O-] ZINC001594163405 1016971323 /nfs/dbraw/zinc/97/13/23/1016971323.db2.gz CCLGHMVQOPYLSI-SECBINFHSA-N -1 0 310.372 -0.664 20 0 DBADRM COc1ncc(NC(=O)[C@@]2(C(=O)[O-])CCCO2)cc1C(N)=O ZINC001594160759 1016971369 /nfs/dbraw/zinc/97/13/69/1016971369.db2.gz ZZXAFTACILZPBL-CYBMUJFWSA-N -1 0 309.278 -0.239 20 0 DBADRM COc1cncc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)n1 ZINC001594155215 1016971385 /nfs/dbraw/zinc/97/13/85/1016971385.db2.gz UVUHQUSHCXWSKQ-MRVPVSSYSA-N -1 0 310.310 -0.103 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001594160864 1016971579 /nfs/dbraw/zinc/97/15/79/1016971579.db2.gz DMUMWHZKBSLMSJ-JGVFFNPUSA-N -1 0 310.310 -0.263 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC001594158534 1016971749 /nfs/dbraw/zinc/97/17/49/1016971749.db2.gz IOQZPLLWHRHLPK-CBAPKCEASA-N -1 0 313.335 -0.336 20 0 DBADRM CS(C)(=O)=NCCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001594178317 1016979244 /nfs/dbraw/zinc/97/92/44/1016979244.db2.gz JRKJCICVZPMXMH-UHFFFAOYSA-N -1 0 315.351 -0.610 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(C(=O)NCCCCC(=O)[O-])CCO1 ZINC001594165542 1016973020 /nfs/dbraw/zinc/97/30/20/1016973020.db2.gz UJOHKBVVOUJRGL-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001594164621 1016973184 /nfs/dbraw/zinc/97/31/84/1016973184.db2.gz UTKKQFADBXQNAY-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM CS(=O)(=O)C1CCC(CNC(=O)COCC(=O)[O-])CC1 ZINC001594164829 1016973221 /nfs/dbraw/zinc/97/32/21/1016973221.db2.gz ZXBHGUDAQGETIZ-UHFFFAOYSA-N -1 0 307.368 -0.193 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594164330 1016973483 /nfs/dbraw/zinc/97/34/83/1016973483.db2.gz SGXUAWTYAHLNOV-NHLYECAPSA-N -1 0 317.319 -0.487 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCN(CN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC001594163776 1016973787 /nfs/dbraw/zinc/97/37/87/1016973787.db2.gz KEJSMFPIPNNKJB-GHMZBOCLSA-N -1 0 318.395 -0.366 20 0 DBADRM CS(=O)(=O)[C@@H]1CCN(C(=O)C2(CC(=O)[O-])CCOCC2)C1 ZINC001594164615 1016974278 /nfs/dbraw/zinc/97/42/78/1016974278.db2.gz UROXLNOIBQRDAB-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM CS(=O)(=O)CCCC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001594165252 1016974324 /nfs/dbraw/zinc/97/43/24/1016974324.db2.gz NMVZUEDILKHNAP-UHFFFAOYSA-N -1 0 307.368 -0.049 20 0 DBADRM CN(C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1)[C@@H]1CCSC1 ZINC001597981637 1017224757 /nfs/dbraw/zinc/22/47/57/1017224757.db2.gz DZQFQTYCCTXMKQ-NXEZZACHSA-N -1 0 316.379 -0.348 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1nnnn1C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001594174948 1016978785 /nfs/dbraw/zinc/97/87/85/1016978785.db2.gz UCOWYIUWZDFTDB-JCIQBVFBSA-N -1 0 323.353 -0.224 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)NCCOCC(=O)[O-])CCS1(=O)=O ZINC001594178172 1016978899 /nfs/dbraw/zinc/97/88/99/1016978899.db2.gz DIZWKHVMILNUEN-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC001594170009 1016975287 /nfs/dbraw/zinc/97/52/87/1016975287.db2.gz HEHIKVZJUBDDCH-UHFFFAOYSA-N -1 0 302.352 -0.396 20 0 DBADRM C[S@](=O)CCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594177647 1016979069 /nfs/dbraw/zinc/97/90/69/1016979069.db2.gz AIJGKOYTAISSFO-FPVGNUTFSA-N -1 0 319.383 -0.870 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001594169997 1016976993 /nfs/dbraw/zinc/97/69/93/1016976993.db2.gz OSKAPLXGBFCDMT-CZMCAQCFSA-N -1 0 319.383 -0.427 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC001594170723 1016978156 /nfs/dbraw/zinc/97/81/56/1016978156.db2.gz STEWGGCCLVJRMS-PSASIEDQSA-N -1 0 304.368 -0.505 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCCOCC(=O)[O-] ZINC001594178171 1016978173 /nfs/dbraw/zinc/97/81/73/1016978173.db2.gz DIZWKHVMILNUEN-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594177723 1016978667 /nfs/dbraw/zinc/97/86/67/1016978667.db2.gz CCLJDKMZIQHASI-OAQYLSRUSA-N -1 0 312.347 -0.504 20 0 DBADRM CS(=O)(=O)NCC1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001594170392 1016979628 /nfs/dbraw/zinc/97/96/28/1016979628.db2.gz MTUVOASKYHDWJN-WDEREUQCSA-N -1 0 318.395 -0.115 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)NCC1(C(=O)[O-])CCC1 ZINC001594179317 1016980718 /nfs/dbraw/zinc/98/07/18/1016980718.db2.gz XDGWJLIIWBZTHR-UHFFFAOYSA-N -1 0 305.356 -0.205 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cncn2)cc1)C(=O)[O-] ZINC001594199727 1016985250 /nfs/dbraw/zinc/98/52/50/1016985250.db2.gz JUXVTPRMHGADQL-MRVPVSSYSA-N -1 0 303.278 -0.205 20 0 DBADRM CSC1(CNC(=O)C(=O)N(C)CCC(=O)[O-])CCOCC1 ZINC001594180688 1016982862 /nfs/dbraw/zinc/98/28/62/1016982862.db2.gz DKIKSXVOAGWRDZ-UHFFFAOYSA-N -1 0 318.395 -0.052 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001594198286 1016983650 /nfs/dbraw/zinc/98/36/50/1016983650.db2.gz GITFNFFXMKNJMU-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@@H]1CC(=O)N(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1 ZINC001594199480 1016983853 /nfs/dbraw/zinc/98/38/53/1016983853.db2.gz YXQRYBMIAPDZOJ-ZJUUUORDSA-N -1 0 304.368 -0.614 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CCO1 ZINC001594201707 1016984265 /nfs/dbraw/zinc/98/42/65/1016984265.db2.gz YZPOVRBCPWGTQM-OUAUKWLOSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@H]1[C@@H](OC(=O)Cn2cccc(C(=O)[O-])c2=O)CC(=O)N1C ZINC001594191826 1016984400 /nfs/dbraw/zinc/98/44/00/1016984400.db2.gz FQWRUNCEOGJSFR-WPRPVWTQSA-N -1 0 308.290 -0.291 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001594198211 1016984633 /nfs/dbraw/zinc/98/46/33/1016984633.db2.gz DEMNBRLNNHHNTK-MRVPVSSYSA-N -1 0 322.321 -0.601 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CCO1 ZINC001594203482 1016984866 /nfs/dbraw/zinc/98/48/66/1016984866.db2.gz MMMDMMOHHYEHOC-KEPMVKOISA-N -1 0 319.379 -0.194 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CC2(C1)CC(=O)Nc1nccn12 ZINC001594222390 1016986146 /nfs/dbraw/zinc/98/61/46/1016986146.db2.gz HPUFONHHPMJVJJ-CLAHSXSESA-N -1 0 304.306 -0.126 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC001594223616 1016987012 /nfs/dbraw/zinc/98/70/12/1016987012.db2.gz IDGUUCBINUOUTJ-PTRXPTGYSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC001594225198 1016988410 /nfs/dbraw/zinc/98/84/10/1016988410.db2.gz DVSPWWAAGMDHKU-DNJQJEMRSA-N -1 0 318.395 -0.069 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1)C(=O)[O-] ZINC001594233281 1016991085 /nfs/dbraw/zinc/99/10/85/1016991085.db2.gz VWRFFVZWMRXUGH-CPCISQLKSA-N -1 0 321.289 -0.561 20 0 DBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1CN1C[C@H](C(=O)[O-])CC1=O ZINC001594251028 1016992140 /nfs/dbraw/zinc/99/21/40/1016992140.db2.gz RBQABCGVXZXWCL-JHJVBQTASA-N -1 0 311.382 -0.328 20 0 DBADRM Cc1c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)nnn1-c1ccn(C)n1 ZINC001594258789 1016992763 /nfs/dbraw/zinc/99/27/63/1016992763.db2.gz DNNSYMSXECIOEO-DTORHVGOSA-N -1 0 304.310 -0.098 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CO1 ZINC001594249342 1016993713 /nfs/dbraw/zinc/99/37/13/1016993713.db2.gz LYWOQKIFVDJNJI-OUAUKWLOSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001594248960 1016994246 /nfs/dbraw/zinc/99/42/46/1016994246.db2.gz FJAXJPQWLJRGFQ-GHMZBOCLSA-N -1 0 323.353 -0.702 20 0 DBADRM C[C@H]1CCC[C@@]1(O)CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001594357248 1017000028 /nfs/dbraw/zinc/00/00/28/1017000028.db2.gz LDBZHRPLKZXRBD-WRWORJQWSA-N -1 0 303.340 -0.063 20 0 DBADRM C[C@H]1CCC[C@]1(O)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001594356980 1017000125 /nfs/dbraw/zinc/00/01/25/1017000125.db2.gz HFTHDYVNSUHUSV-HZMBPMFUSA-N -1 0 315.370 -0.182 20 0 DBADRM C[C@@H]1CCCCN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001594370305 1017000238 /nfs/dbraw/zinc/00/02/38/1017000238.db2.gz LQEFWGBKJVDRCQ-WOPDTQHZSA-N -1 0 312.366 -0.071 20 0 DBADRM Cc1c(NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)cnn1C ZINC001594263357 1016995571 /nfs/dbraw/zinc/99/55/71/1016995571.db2.gz OBTFIAWWUDLUNH-UHFFFAOYSA-N -1 0 324.337 -0.335 20 0 DBADRM Cc1c(CNC(=O)NCCOCCOCC(=O)[O-])cnn1C ZINC001594261569 1016995696 /nfs/dbraw/zinc/99/56/96/1016995696.db2.gz HGFVGMIJGYXTIP-UHFFFAOYSA-N -1 0 314.342 -0.354 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)nnn1C ZINC001594263494 1016995910 /nfs/dbraw/zinc/99/59/10/1016995910.db2.gz XWKLTTOTPUNBAO-APPZFPTMSA-N -1 0 309.326 -0.369 20 0 DBADRM C[C@H]1C[C@H](S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)CCO1 ZINC001594266414 1016996156 /nfs/dbraw/zinc/99/61/56/1016996156.db2.gz OFBWKABDAQSVIH-NWDGAFQWSA-N -1 0 320.411 -0.024 20 0 DBADRM Cc1c(NC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)nnn1C ZINC001594266709 1016996316 /nfs/dbraw/zinc/99/63/16/1016996316.db2.gz PIYWAIMRKWXCDR-SECBINFHSA-N -1 0 324.341 -0.289 20 0 DBADRM Cc1cc(=O)[nH]c(C(C)(C)NC(=O)c2cn(CC(=O)[O-])nn2)n1 ZINC001594269302 1016996989 /nfs/dbraw/zinc/99/69/89/1016996989.db2.gz KNBZVEPKTIRPEB-UHFFFAOYSA-N -1 0 320.309 -0.168 20 0 DBADRM Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)NCC(=O)[O-] ZINC001594259128 1016997111 /nfs/dbraw/zinc/99/71/11/1016997111.db2.gz GHRBTYRDGNCUCA-UHFFFAOYSA-N -1 0 308.216 -0.113 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2cnc(C(=O)[O-])cn2)CCS1(=O)=O ZINC001594262786 1016997483 /nfs/dbraw/zinc/99/74/83/1016997483.db2.gz YZLQSKMPEPNPEC-YUMQZZPRSA-N -1 0 313.335 -0.130 20 0 DBADRM C[C@H]1C[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])c2ncnn21 ZINC001594264348 1016997561 /nfs/dbraw/zinc/99/75/61/1016997561.db2.gz OVLABXGNAHUTAO-CAHLUQPWSA-N -1 0 312.311 -0.316 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)nnn1C ZINC001594263317 1016997670 /nfs/dbraw/zinc/99/76/70/1016997670.db2.gz KTTSCGIOZKQGMD-VIFPVBQESA-N -1 0 309.326 -0.321 20 0 DBADRM C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001594267602 1016997842 /nfs/dbraw/zinc/99/78/42/1016997842.db2.gz ZAPFQXINYNXVGZ-PSASIEDQSA-N -1 0 324.337 -0.377 20 0 DBADRM C[C@H]1C[C@@H](S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)CCO1 ZINC001594266415 1016997914 /nfs/dbraw/zinc/99/79/14/1016997914.db2.gz OFBWKABDAQSVIH-RYUDHWBXSA-N -1 0 320.411 -0.024 20 0 DBADRM C[C@@H]1CCC[C@]1(O)CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001594357244 1016998616 /nfs/dbraw/zinc/99/86/16/1016998616.db2.gz LDBZHRPLKZXRBD-HQJQHLMTSA-N -1 0 303.340 -0.063 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])C1 ZINC001594378615 1017002531 /nfs/dbraw/zinc/00/25/31/1017002531.db2.gz LFWARRATGKZALG-WDEREUQCSA-N -1 0 308.338 -0.289 20 0 DBADRM Cc1ccc2ncc(C(=O)NCCOCC(=O)[O-])c(=O)n2c1 ZINC001594385333 1017002739 /nfs/dbraw/zinc/00/27/39/1017002739.db2.gz ISKAZNWGBSOMPV-UHFFFAOYSA-N -1 0 305.290 -0.166 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)C1 ZINC001594377952 1017003583 /nfs/dbraw/zinc/00/35/83/1017003583.db2.gz FKXICNTUDQVQNU-ONGXEEELSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@@H]1CO ZINC001594387219 1017003654 /nfs/dbraw/zinc/00/36/54/1017003654.db2.gz BDROJFIBBIGWQA-NNYUYHANSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001594388617 1017004084 /nfs/dbraw/zinc/00/40/84/1017004084.db2.gz WTBBWDMIOMTDKC-ZJUUUORDSA-N -1 0 319.383 -0.619 20 0 DBADRM CC1CCN(C(=O)CN2[C@H](C(=O)[O-])CCS2(=O)=O)CC1 ZINC001594400765 1017004551 /nfs/dbraw/zinc/00/45/51/1017004551.db2.gz LFNWOKUAQWRSFG-JTQLQIEISA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@@H]1CCN(CC(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1 ZINC001594414692 1017004576 /nfs/dbraw/zinc/00/45/76/1017004576.db2.gz NIFQXOCDKYWHCA-GHMZBOCLSA-N -1 0 318.395 -0.572 20 0 DBADRM Cc1cccc(CCn2nnnc2N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC001594403955 1017005199 /nfs/dbraw/zinc/00/51/99/1017005199.db2.gz HTIDTPAMTOKXFI-GFCCVEGCSA-N -1 0 318.337 -0.091 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)[C@H]1CO ZINC001594396224 1017005435 /nfs/dbraw/zinc/00/54/35/1017005435.db2.gz WIKIAQOFPQSMKL-SCZZXKLOSA-N -1 0 307.306 -0.052 20 0 DBADRM C[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@H](C(=O)[O-])C1 ZINC001594395751 1017005722 /nfs/dbraw/zinc/00/57/22/1017005722.db2.gz DMQLCGOOQGNPKP-ZJUUUORDSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@@H]1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C[C@@H]1CO ZINC001594401001 1017006786 /nfs/dbraw/zinc/00/67/86/1017006786.db2.gz POBCXSSFNJVBSV-IJLUTSLNSA-N -1 0 312.366 -0.214 20 0 DBADRM Cc1nc(C(=O)N2CCCC[C@@H]2C(=O)[O-])nn1-c1nc[nH]n1 ZINC001594446400 1017012373 /nfs/dbraw/zinc/01/23/73/1017012373.db2.gz PGWLOMOTBRABHY-MRVPVSSYSA-N -1 0 305.298 -0.227 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC[S@@]1=O ZINC001594402086 1017006849 /nfs/dbraw/zinc/00/68/49/1017006849.db2.gz OHEQDXOVGWWXMS-FHZGZLOMSA-N -1 0 300.340 -0.654 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)[C@H](C(N)=O)C1 ZINC001594402154 1017007597 /nfs/dbraw/zinc/00/75/97/1017007597.db2.gz QKQDYMZUMPHINO-ONGXEEELSA-N -1 0 321.333 -0.341 20 0 DBADRM Cc1cccc(CN(C)C(=O)C(=O)NCCOCC(=O)[O-])n1 ZINC001594404324 1017007676 /nfs/dbraw/zinc/00/76/76/1017007676.db2.gz MDPKQZCDLDZRTL-UHFFFAOYSA-N -1 0 309.322 -0.434 20 0 DBADRM Cc1cnn(-c2c(C(=O)NC[C@](C)(O)C(=O)[O-])c(C)nn2C)c1 ZINC001594433616 1017008169 /nfs/dbraw/zinc/00/81/69/1017008169.db2.gz CWRMTAMGBHVCTO-AWEZNQCLSA-N -1 0 321.337 -0.212 20 0 DBADRM C[C@@H]1CCN([C@H]2CCN(CCC(=O)[O-])C2=O)CC[S@]1=O ZINC001594421776 1017008679 /nfs/dbraw/zinc/00/86/79/1017008679.db2.gz BCPVJDGKRYDUFQ-QZXWKGOOSA-N -1 0 302.396 -0.095 20 0 DBADRM Cc1cnc2nc(C(=O)Nc3ccn(CC(=O)[O-])n3)nn2c1 ZINC001594432373 1017009227 /nfs/dbraw/zinc/00/92/27/1017009227.db2.gz OFSZMNNDPLLESJ-UHFFFAOYSA-N -1 0 301.266 -0.034 20 0 DBADRM Cc1cn2nnc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)c2c(=O)[nH]1 ZINC001594426124 1017009525 /nfs/dbraw/zinc/00/95/25/1017009525.db2.gz ANFOMLRMXKJSJL-LBPRGKRZSA-N -1 0 307.266 -0.888 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NC(=O)COCc1ocnc1C(=O)[O-] ZINC001594439001 1017012598 /nfs/dbraw/zinc/01/25/98/1017012598.db2.gz KIQYJUONTJNJID-OIBJUYFYSA-N -1 0 311.294 -0.470 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)Nc2cc(C(=O)[O-])n[nH]2)c(=O)c1 ZINC001594421677 1017010035 /nfs/dbraw/zinc/01/00/35/1017010035.db2.gz UUJUWGMVAORIKQ-AWEZNQCLSA-N -1 0 320.305 -0.032 20 0 DBADRM Cc1cn2nc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)cc2c(=O)[nH]1 ZINC001594427292 1017010053 /nfs/dbraw/zinc/01/00/53/1017010053.db2.gz UGJCYXLRFMITQR-ZDUSSCGKSA-N -1 0 306.278 -0.695 20 0 DBADRM Cc1cnc(F)cc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594430552 1017010421 /nfs/dbraw/zinc/01/04/21/1017010421.db2.gz PZRRMUOQWXFEPE-VIFPVBQESA-N -1 0 316.310 -0.147 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@]23C[C@H]2COC3)c1[O-] ZINC001428655142 1005976632 /nfs/dbraw/zinc/97/66/32/1005976632.db2.gz QLOCEPDLSAEVLB-CMCSKWMBSA-N -1 0 308.338 -0.305 20 0 DBADRM C[C@H](CNC(=O)c1cc[nH]c1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001428665017 1005981369 /nfs/dbraw/zinc/98/13/69/1005981369.db2.gz WYMBFJPCCXIFBQ-MRVPVSSYSA-N -1 0 319.321 -0.638 20 0 DBADRM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001594449014 1017011333 /nfs/dbraw/zinc/01/13/33/1017011333.db2.gz XTEFLKHWWIRIQY-JFUSQASVSA-N -1 0 318.337 -0.063 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594434808 1017011557 /nfs/dbraw/zinc/01/15/57/1017011557.db2.gz WOUDQUPKCIJBDN-QMMMGPOBSA-N -1 0 301.324 -0.948 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001594438893 1017012046 /nfs/dbraw/zinc/01/20/46/1017012046.db2.gz IRFUGJPDIXAQLJ-BDAKNGLRSA-N -1 0 304.368 -0.315 20 0 DBADRM C[C@H]1CCS(=O)(=O)CCN1C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001594440525 1017012309 /nfs/dbraw/zinc/01/23/09/1017012309.db2.gz UJUDEGJZWDZWGT-VIFPVBQESA-N -1 0 315.351 -0.383 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)C[C@]1(C)CO ZINC001594458312 1017018911 /nfs/dbraw/zinc/01/89/11/1017018911.db2.gz NGFJTKHQUIWICF-BPYAMOTFSA-N -1 0 310.350 -0.247 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1(CF)CC1 ZINC001428740234 1006013870 /nfs/dbraw/zinc/01/38/70/1006013870.db2.gz KIQOMMSTTPYATQ-ZETCQYMHSA-N -1 0 315.305 -0.940 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001428760940 1006021906 /nfs/dbraw/zinc/02/19/06/1006021906.db2.gz JZNPGHXAPYIMMO-BEYHFKMWSA-N -1 0 308.338 -0.449 20 0 DBADRM COC[C@@H](OC)C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001440240260 1006022288 /nfs/dbraw/zinc/02/22/88/1006022288.db2.gz IKDAYYZVBSYAFE-NXEZZACHSA-N -1 0 313.358 -0.796 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)nn1C ZINC001594457001 1017018176 /nfs/dbraw/zinc/01/81/76/1017018176.db2.gz TWLRCQKIFMMGJI-CBAPKCEASA-N -1 0 309.326 -0.369 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CC(=O)N1 ZINC001594459138 1017018439 /nfs/dbraw/zinc/01/84/39/1017018439.db2.gz UKIUSXJJRKARHN-MRVPVSSYSA-N -1 0 305.290 -0.330 20 0 DBADRM Cc1csc(=O)n1CCN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594435437 1017012793 /nfs/dbraw/zinc/01/27/93/1017012793.db2.gz FSDKRUAOMZALRK-VIFPVBQESA-N -1 0 320.392 -0.598 20 0 DBADRM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001594449012 1017012809 /nfs/dbraw/zinc/01/28/09/1017012809.db2.gz XTEFLKHWWIRIQY-FXAINCCUSA-N -1 0 318.337 -0.063 20 0 DBADRM C[C@H]1CCc2nc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])cn2C1 ZINC001594448101 1017012916 /nfs/dbraw/zinc/01/29/16/1017012916.db2.gz OXXRRTXRUKQPHO-ONGXEEELSA-N -1 0 320.349 -0.119 20 0 DBADRM Cc1nc(C(=O)N2CCCC[C@H]2C(=O)[O-])nn1-c1nc[nH]n1 ZINC001594446401 1017013191 /nfs/dbraw/zinc/01/31/91/1017013191.db2.gz PGWLOMOTBRABHY-QMMMGPOBSA-N -1 0 305.298 -0.227 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1scnc1C(=O)[O-] ZINC001594439580 1017013401 /nfs/dbraw/zinc/01/34/01/1017013401.db2.gz UGMJXAAWLCGQGV-PHDIDXHHSA-N -1 0 319.364 -0.356 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594434807 1017013437 /nfs/dbraw/zinc/01/34/37/1017013437.db2.gz WOUDQUPKCIJBDN-MRVPVSSYSA-N -1 0 301.324 -0.948 20 0 DBADRM Cc1n[nH]cc1CN(C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001594442402 1017013533 /nfs/dbraw/zinc/01/35/33/1017013533.db2.gz VSIXDYVPBIXREM-LLVKDONJSA-N -1 0 308.338 0.000 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@@](C)(CO)C2)C[C@H]1C(=O)[O-] ZINC001594455745 1017014810 /nfs/dbraw/zinc/01/48/10/1017014810.db2.gz WCVNQRJSKDKQRJ-UYUMYWFVSA-N -1 0 312.366 -0.358 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C[C@@]1(C)CO ZINC001594453345 1017015396 /nfs/dbraw/zinc/01/53/96/1017015396.db2.gz GRMCCYHFGYCZMQ-UDQFVRRFSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](O)[C@@H](C)C2)C[C@]1(C)C(=O)[O-] ZINC001594455210 1017015593 /nfs/dbraw/zinc/01/55/93/1017015593.db2.gz RMMLKUAONPEULO-ZVXAKGHKSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC(=O)N1 ZINC001594455405 1017015953 /nfs/dbraw/zinc/01/59/53/1017015953.db2.gz SUBMRFSRJKXOSS-NXEZZACHSA-N -1 0 323.349 -0.953 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001428828335 1006067397 /nfs/dbraw/zinc/06/73/97/1006067397.db2.gz DDXQCIAMZVJCFZ-OPRDCNLKSA-N -1 0 322.365 -0.234 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@@]2(CCOC2)O1 ZINC001594470301 1017021277 /nfs/dbraw/zinc/02/12/77/1017021277.db2.gz IJYPASYPCBRMQX-NOZJJQNGSA-N -1 0 310.310 -0.617 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC([C@H](O)C(=O)[O-])CC2)C[C@H](C)O1 ZINC001594466050 1017021563 /nfs/dbraw/zinc/02/15/63/1017021563.db2.gz YERFXSPZYQMBTE-WDMOLILDSA-N -1 0 314.382 -0.220 20 0 DBADRM CN(CCCN(C)C(=O)Cn1cccn1)Cc1n[nH]c(=O)[n-]1 ZINC001440403404 1006101488 /nfs/dbraw/zinc/10/14/88/1006101488.db2.gz BDCNWMPVIFZPKN-UHFFFAOYSA-N -1 0 307.358 -0.313 20 0 DBADRM Cc1nn(C)cc1CC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594484515 1017025248 /nfs/dbraw/zinc/02/52/48/1017025248.db2.gz PVDMZEVIFVPXLE-LBPRGKRZSA-N -1 0 322.365 -0.147 20 0 DBADRM C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nn2)CCN1CCO ZINC001594481348 1017024583 /nfs/dbraw/zinc/02/45/83/1017024583.db2.gz VSVWVVUZXYFDMO-VIFPVBQESA-N -1 0 309.326 -0.295 20 0 DBADRM C[C@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])CC[C@H]1O ZINC001594472897 1017024721 /nfs/dbraw/zinc/02/47/21/1017024721.db2.gz DWRSLERJSKGNGI-VHSXEESVSA-N -1 0 301.343 -0.620 20 0 DBADRM C[C@H]1CN(C(=O)NCCn2cc(C(=O)[O-])nn2)C[C@H](C)C1O ZINC001594473856 1017024922 /nfs/dbraw/zinc/02/49/22/1017024922.db2.gz RDXRLTGRQUZTBW-IUCAKERBSA-N -1 0 311.342 -0.365 20 0 DBADRM C[C@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001594474303 1017025418 /nfs/dbraw/zinc/02/54/18/1017025418.db2.gz FBBWKDYBGRCVOH-GUBZILKMSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@H]1CN(C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)CC(=O)N1 ZINC001594473332 1017025456 /nfs/dbraw/zinc/02/54/56/1017025456.db2.gz KHXWGVCXEYITFB-DTWKUNHWSA-N -1 0 321.337 -0.054 20 0 DBADRM Cc1nccn1C[C@H](C)CNC(=O)c1cn(CC(=O)[O-])nn1 ZINC001594475776 1017025613 /nfs/dbraw/zinc/02/56/13/1017025613.db2.gz UBAXMKMUKBOFHJ-SECBINFHSA-N -1 0 306.326 -0.066 20 0 DBADRM C[C@@H]1CN(C(=O)NCCn2cc(C(=O)[O-])nn2)C[C@]1(C)CO ZINC001594475603 1017026232 /nfs/dbraw/zinc/02/62/32/1017026232.db2.gz MMIVRIHYXZZFIG-NOZJJQNGSA-N -1 0 311.342 -0.364 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)[C@@H](C)CN1CCO ZINC001594471201 1017026533 /nfs/dbraw/zinc/02/65/33/1017026533.db2.gz UJLVCIZMRUEBRJ-QWRGUYRKSA-N -1 0 310.354 -0.505 20 0 DBADRM Cc1nnc(CN(C)C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)o1 ZINC001594491420 1017028182 /nfs/dbraw/zinc/02/81/82/1017028182.db2.gz ZBSDXLCJRBTHRF-SECBINFHSA-N -1 0 310.310 -0.340 20 0 DBADRM O=C(c1cc[nH]c1)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001440542089 1006183269 /nfs/dbraw/zinc/18/32/69/1006183269.db2.gz AMGGNPRFFROSRL-CQSZACIVSA-N -1 0 320.353 -0.405 20 0 DBADRM Cc1nnc(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1C ZINC001594491339 1017028984 /nfs/dbraw/zinc/02/89/84/1017028984.db2.gz SZDUQLRZLSHXML-VIFPVBQESA-N -1 0 309.326 -0.937 20 0 DBADRM Cc1nn(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(=O)n1C ZINC001594487689 1017029314 /nfs/dbraw/zinc/02/93/14/1017029314.db2.gz WVGQGHJNJRCYHD-WDEREUQCSA-N -1 0 308.338 -0.541 20 0 DBADRM Cc1nnc([C@@H](C)NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])o1 ZINC001594490337 1017030153 /nfs/dbraw/zinc/03/01/53/1017030153.db2.gz AWKDQXNQHUDKBE-SVRRBLITSA-N -1 0 304.328 -0.178 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001594498060 1017031695 /nfs/dbraw/zinc/03/16/95/1017031695.db2.gz GAJHPDIRXJMKAI-BYYOYISRSA-N -1 0 323.349 -0.955 20 0 DBADRM CCCC(=O)N[C@H]1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001429104292 1006227925 /nfs/dbraw/zinc/22/79/25/1006227925.db2.gz BLLJQZSAYKATRV-OCAPTIKFSA-N -1 0 309.326 -0.293 20 0 DBADRM C[C@@H]1CN([C@H]2CCCN(CCC(=O)[O-])C2=O)C[C@H](CO)O1 ZINC001594509255 1017032829 /nfs/dbraw/zinc/03/28/29/1017032829.db2.gz XPXVEQPCMCFBET-UTUOFQBUSA-N -1 0 300.355 -0.466 20 0 DBADRM C[C@H](CCNC(=O)C(C)(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001429112079 1006231024 /nfs/dbraw/zinc/23/10/24/1006231024.db2.gz AKNQFPNEROTJJH-MRVPVSSYSA-N -1 0 313.358 -0.254 20 0 DBADRM CC(C)[C@H](C(=O)N[C@@H](CO)C(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC001594500405 1017033080 /nfs/dbraw/zinc/03/30/80/1017033080.db2.gz JDZZDKMOQOFJFE-WHOHXGKFSA-N -1 0 302.371 -0.318 20 0 DBADRM C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001594507894 1017033319 /nfs/dbraw/zinc/03/33/19/1017033319.db2.gz ORCYAGSSWVZGNH-OIBJUYFYSA-N -1 0 314.367 -0.131 20 0 DBADRM C[C@H]1CN(CC(=O)NCCC(=O)[O-])CC2(CCOCC2)O1 ZINC001594507855 1017033986 /nfs/dbraw/zinc/03/39/86/1017033986.db2.gz PYFTWVFSSZDFHF-NSHDSACASA-N -1 0 300.355 -0.153 20 0 DBADRM C[C@@H]1OCC[C@]12CN(CC(=O)NCCC(=O)[O-])C[C@@H](C)O2 ZINC001594506475 1017034354 /nfs/dbraw/zinc/03/43/54/1017034354.db2.gz IUMRSCVCKPMHBC-SUNKGSAMSA-N -1 0 300.355 -0.154 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)CCCC(N)=O ZINC001440751508 1006290981 /nfs/dbraw/zinc/29/09/81/1006290981.db2.gz WRFLNFKWAGTRBE-SNVBAGLBSA-N -1 0 324.385 -0.411 20 0 DBADRM Cc1cnn(CC(=O)N(C)CCNC(=O)c2[nH]nc(C)c2[O-])c1 ZINC001429221805 1006293433 /nfs/dbraw/zinc/29/34/33/1006293433.db2.gz YSNURZHYWURAPJ-UHFFFAOYSA-N -1 0 320.353 -0.183 20 0 DBADRM C[C@@H]1CN(CCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)[C@@H](C)CO1 ZINC001594526840 1017041872 /nfs/dbraw/zinc/04/18/72/1017041872.db2.gz FEGFTQPBOOMQBS-QCNOEVLYSA-N -1 0 300.355 -0.156 20 0 DBADRM C[C@@H]1CN(CCNS(=O)(=O)c2occc2C(=O)[O-])CCO1 ZINC001594532571 1017043241 /nfs/dbraw/zinc/04/32/41/1017043241.db2.gz YEWANPUWPLQFMU-SECBINFHSA-N -1 0 318.351 -0.023 20 0 DBADRM C[C@H](CNC(=O)c1cnc[nH]c1=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440939175 1006374783 /nfs/dbraw/zinc/37/47/83/1006374783.db2.gz YOTWGYCMGWCFEG-SSDOTTSWSA-N -1 0 307.314 -0.744 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C(C)(F)F ZINC001429396322 1006385490 /nfs/dbraw/zinc/38/54/90/1006385490.db2.gz PCXQQDVIEAJOCW-UHFFFAOYSA-N -1 0 305.241 -0.874 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC[S@](=O)C1 ZINC001594554134 1017047101 /nfs/dbraw/zinc/04/71/01/1017047101.db2.gz KXKJKKQNVAZOBP-IIYDVTGLSA-N -1 0 321.380 -0.503 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@@]2(F)CCOC2)c1[O-] ZINC001429438707 1006407048 /nfs/dbraw/zinc/40/70/48/1006407048.db2.gz KFZFUZDPIAQXTK-CYBMUJFWSA-N -1 0 314.317 -0.259 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001594598956 1017049058 /nfs/dbraw/zinc/04/90/58/1017049058.db2.gz MVDHQVVXGQNIME-VHSXEESVSA-N -1 0 310.306 -0.845 20 0 DBADRM C[C@H]1COCCCN1C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001594603527 1017049974 /nfs/dbraw/zinc/04/99/74/1017049974.db2.gz KFCJUTLPJUQKHM-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM CC(C)[C@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429469121 1006431517 /nfs/dbraw/zinc/43/15/17/1006431517.db2.gz UITPQQHFUVKPFB-RKDXNWHRSA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@@H]1OCC[C@@]12CN(CCc1cn(CC(=O)[O-])nn1)CCO2 ZINC001594641972 1017055067 /nfs/dbraw/zinc/05/50/67/1017055067.db2.gz FMXGYSISZUPADY-SMDDNHRTSA-N -1 0 310.354 -0.215 20 0 DBADRM C[C@H]1OCC[C@@H]1N(CCO)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001594646546 1017055611 /nfs/dbraw/zinc/05/56/11/1017055611.db2.gz YKZIOKRUGNZTQM-YPMHNXCESA-N -1 0 314.382 -0.219 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001594649634 1017055695 /nfs/dbraw/zinc/05/56/95/1017055695.db2.gz YMFKPGFMSLTZTG-GDPRMGEGSA-N -1 0 307.368 -0.349 20 0 DBADRM C[C@H]1OCC[C@H]1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001594648827 1017055845 /nfs/dbraw/zinc/05/58/45/1017055845.db2.gz NHLMPTIBCPBIAT-GHMZBOCLSA-N -1 0 306.384 -0.414 20 0 DBADRM C[C@@H]1OCC[C@H]1N(CCO)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001594643967 1017056181 /nfs/dbraw/zinc/05/61/81/1017056181.db2.gz KGQUGUGCCBOPCE-VHSXEESVSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001594648474 1017056277 /nfs/dbraw/zinc/05/62/77/1017056277.db2.gz JPTBTAUZQALQFH-XRNSZHNASA-N -1 0 318.351 -0.201 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594639687 1017056341 /nfs/dbraw/zinc/05/63/41/1017056341.db2.gz JBOXGSJGXLPOID-CLAHSXSESA-N -1 0 323.305 -0.626 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@H]1CCOC[C@@H]1C)C(=O)[O-] ZINC001594598091 1017050434 /nfs/dbraw/zinc/05/04/34/1017050434.db2.gz UWCUGGROQOWHSN-XWLWVQCSSA-N -1 0 315.370 -0.064 20 0 DBADRM C[C@@H]1COCC[C@H]1Cn1nnnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001594604865 1017050502 /nfs/dbraw/zinc/05/05/02/1017050502.db2.gz SNCVWXMIIDXPMG-OUAUKWLOSA-N -1 0 311.342 -0.365 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429530900 1006463638 /nfs/dbraw/zinc/46/36/38/1006463638.db2.gz VDZWSVDATWHYOJ-JGVFFNPUSA-N -1 0 309.326 -0.483 20 0 DBADRM CC(C)[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001429534747 1006463794 /nfs/dbraw/zinc/46/37/94/1006463794.db2.gz YKECFBDDEAMKDF-RKDXNWHRSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(C)CC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001429533558 1006464990 /nfs/dbraw/zinc/46/49/90/1006464990.db2.gz DZCLODVIZBPNPW-MRVPVSSYSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001594598954 1017051156 /nfs/dbraw/zinc/05/11/56/1017051156.db2.gz MVDHQVVXGQNIME-UWVGGRQHSA-N -1 0 310.306 -0.845 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001594609353 1017051914 /nfs/dbraw/zinc/05/19/14/1017051914.db2.gz CJBCYCKTIJIWRE-OUAUKWLOSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001594629389 1017052423 /nfs/dbraw/zinc/05/24/23/1017052423.db2.gz HITGEGMVBCTHRH-RRKCRQDMSA-N -1 0 316.339 -0.606 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCCN1C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001594610629 1017052742 /nfs/dbraw/zinc/05/27/42/1017052742.db2.gz RMTLLFAEEQKIBF-SECBINFHSA-N -1 0 315.351 -0.383 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001594630901 1017052800 /nfs/dbraw/zinc/05/28/00/1017052800.db2.gz CRLUHPKRRQZJRR-QEYWKRMJSA-N -1 0 300.311 -0.131 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001594632577 1017052972 /nfs/dbraw/zinc/05/29/72/1017052972.db2.gz NXFVHADDKBPBLF-KWQFWETISA-N -1 0 300.311 -0.034 20 0 DBADRM C[C@H](NC(=O)COCC1CC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001441152378 1006489642 /nfs/dbraw/zinc/48/96/42/1006489642.db2.gz ILANBRMXZSQADB-VIFPVBQESA-N -1 0 309.370 -0.127 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001594608231 1017053578 /nfs/dbraw/zinc/05/35/78/1017053578.db2.gz UMBRBAGJZOXDPU-IJLUTSLNSA-N -1 0 315.370 -0.504 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001594607312 1017053837 /nfs/dbraw/zinc/05/38/37/1017053837.db2.gz HLFWQLGTRHNKLU-WOPDTQHZSA-N -1 0 315.370 -0.409 20 0 DBADRM C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@H](CO)C(=O)[O-])C1=O ZINC001594655502 1017058799 /nfs/dbraw/zinc/05/87/99/1017058799.db2.gz SLSZNXIIZMHQGK-VHSXEESVSA-N -1 0 322.317 -0.248 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC001594756397 1017063186 /nfs/dbraw/zinc/06/31/86/1017063186.db2.gz IZBNCSDIRYLXNZ-JTQLQIEISA-N -1 0 310.354 -0.002 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])C1 ZINC001594695674 1017059101 /nfs/dbraw/zinc/05/91/01/1017059101.db2.gz MRLMYILJJAWZEC-ZJUUUORDSA-N -1 0 309.326 -0.894 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NCCCNc1ccnc(C(=O)[O-])n1 ZINC001594706588 1017060478 /nfs/dbraw/zinc/06/04/78/1017060478.db2.gz RNHGBTIVRROIKF-SECBINFHSA-N -1 0 323.353 -0.570 20 0 DBADRM CCC(=O)NCC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001594707809 1017060523 /nfs/dbraw/zinc/06/05/23/1017060523.db2.gz LNIVUHVKQRRVEW-ZJUUUORDSA-N -1 0 313.354 -0.850 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NCCCNc1ccnc(C(=O)[O-])n1 ZINC001594706591 1017060559 /nfs/dbraw/zinc/06/05/59/1017060559.db2.gz RNHGBTIVRROIKF-VIFPVBQESA-N -1 0 323.353 -0.570 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001429747958 1006548765 /nfs/dbraw/zinc/54/87/65/1006548765.db2.gz BYDAXOJCIDGLDO-JTQLQIEISA-N -1 0 311.342 -0.403 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC001594756399 1017062272 /nfs/dbraw/zinc/06/22/72/1017062272.db2.gz IZBNCSDIRYLXNZ-SNVBAGLBSA-N -1 0 310.354 -0.002 20 0 DBADRM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001594867856 1017067994 /nfs/dbraw/zinc/06/79/94/1017067994.db2.gz UJXFMAIOBWKOMT-XHNCKOQMSA-N -1 0 304.368 -0.504 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001429840812 1006585108 /nfs/dbraw/zinc/58/51/08/1006585108.db2.gz GVTZTURBGVYDEL-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)Cn1nc2cnccn2c1=O)C(=O)[O-] ZINC001594908122 1017069358 /nfs/dbraw/zinc/06/93/58/1017069358.db2.gz CJPXMRPTXPSVDI-LDYMZIIASA-N -1 0 307.310 -0.494 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 ZINC001594745218 1017064251 /nfs/dbraw/zinc/06/42/51/1017064251.db2.gz NSFXJCRJSLWRSU-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM CC[C@](C)(NS(=O)(=O)c1cc(C(=O)OC)[nH]n1)C(=O)[O-] ZINC001594852947 1017065819 /nfs/dbraw/zinc/06/58/19/1017065819.db2.gz ADWQMCXPOVACBV-JTQLQIEISA-N -1 0 305.312 -0.272 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCC(O)(C(F)F)CC1 ZINC001594792491 1017067088 /nfs/dbraw/zinc/06/70/88/1017067088.db2.gz HMWFWBYUPHRRCI-OCAPTIKFSA-N -1 0 320.292 -0.416 20 0 DBADRM COc1nc(C(=O)NC[C@@H](NC(=O)c2cn[nH]n2)C2CC2)co1 ZINC001430007305 1006651228 /nfs/dbraw/zinc/65/12/28/1006651228.db2.gz SKYZARLNQMZKJM-MRVPVSSYSA-N -1 0 320.309 -0.260 20 0 DBADRM CCc1occc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001441694170 1006812383 /nfs/dbraw/zinc/81/23/83/1006812383.db2.gz HFYRMFQNGKXYQQ-QMMMGPOBSA-N -1 0 309.326 -0.454 20 0 DBADRM CCCCC(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001430316375 1006814153 /nfs/dbraw/zinc/81/41/53/1006814153.db2.gz LNAXSIBOCXWIRF-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CC1(C(=O)NCC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CCC1 ZINC001430413142 1006846195 /nfs/dbraw/zinc/84/61/95/1006846195.db2.gz QRMAEPRRFGOZHX-UHFFFAOYSA-N -1 0 321.337 -0.339 20 0 DBADRM CCN(C(=O)CCc1n[nH]c(=O)[n-]c1=O)[C@H]1CCN(C(C)=O)C1 ZINC001430477042 1006868346 /nfs/dbraw/zinc/86/83/46/1006868346.db2.gz CSACRSJZOBLWDF-JTQLQIEISA-N -1 0 323.353 -0.315 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@H]2COCCO2)c1[O-] ZINC001430483452 1006872326 /nfs/dbraw/zinc/87/23/26/1006872326.db2.gz WZORBBGPYYITKM-IONNQARKSA-N -1 0 312.326 -0.926 20 0 DBADRM CC[C@@H](CNC(=O)C1=COCCO1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001430514213 1006878969 /nfs/dbraw/zinc/87/89/69/1006878969.db2.gz AQEHKBCUOCCHNU-VIFPVBQESA-N -1 0 324.337 -0.063 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCCOCC(=O)[O-])O1 ZINC001598120257 1017233381 /nfs/dbraw/zinc/23/33/81/1017233381.db2.gz XFNHXEAPOHQHEA-UWVGGRQHSA-N -1 0 317.342 -0.977 20 0 DBADRM CN(C(=O)c1cnn(C)c1)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598098073 1017234294 /nfs/dbraw/zinc/23/42/94/1017234294.db2.gz LTBMHVCFWKKCMK-WDEREUQCSA-N -1 0 306.322 -0.576 20 0 DBADRM CN(C)C(=O)C1(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001598109835 1017234686 /nfs/dbraw/zinc/23/46/86/1017234686.db2.gz MXEDYQDLIQZYTO-UHFFFAOYSA-N -1 0 307.310 -0.772 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NC[C@H](F)C(=O)[O-])O1 ZINC001598117490 1017234738 /nfs/dbraw/zinc/23/47/38/1017234738.db2.gz JQABATAOSRUQBM-VGMNWLOBSA-N -1 0 305.306 -0.656 20 0 DBADRM CN(C)C(=O)c1cccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC001598163513 1017242313 /nfs/dbraw/zinc/24/23/13/1017242313.db2.gz ZUERGQRUECUJKF-JTQLQIEISA-N -1 0 316.335 -0.888 20 0 DBADRM CN(C)[C@@]1(C(=O)N2CC(O)(C(=O)[O-])C2)COc2ccccc2C1 ZINC001598176333 1017242342 /nfs/dbraw/zinc/24/23/42/1017242342.db2.gz NMRDSQGINADILG-OAHLLOKOSA-N -1 0 320.345 -0.420 20 0 DBADRM CN(C)C(=O)CCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598124580 1017235493 /nfs/dbraw/zinc/23/54/93/1017235493.db2.gz NAMZFGLRPHYOHJ-UHFFFAOYSA-N -1 0 322.321 -0.297 20 0 DBADRM CN(C)C(=O)CN1CCN(Cc2cnc(C(=O)[O-])cn2)CC1 ZINC001598129845 1017235879 /nfs/dbraw/zinc/23/58/79/1017235879.db2.gz AQSWPBYRWSACNW-UHFFFAOYSA-N -1 0 307.354 -0.619 20 0 DBADRM CN(C)C(=O)CCCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598124923 1017236186 /nfs/dbraw/zinc/23/61/86/1017236186.db2.gz RYHWDRZUWXUMHX-SNVBAGLBSA-N -1 0 313.354 -0.706 20 0 DBADRM CN(C)C(=O)CCn1nnnc1N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001598126763 1017236346 /nfs/dbraw/zinc/23/63/46/1017236346.db2.gz WMPPRENZNFPVGK-JTQLQIEISA-N -1 0 322.369 -0.158 20 0 DBADRM CN(C)C(=O)CNC(=S)N1CCSC[C@H](C(=O)[O-])C1 ZINC001598130013 1017237435 /nfs/dbraw/zinc/23/74/35/1017237435.db2.gz NWGJESPDFKKWGR-MRVPVSSYSA-N -1 0 305.425 -0.301 20 0 DBADRM CN(C)C(=O)OC[C@H]1CCCCN1CC(=O)NCC(=O)[O-] ZINC001598146682 1017239490 /nfs/dbraw/zinc/23/94/90/1017239490.db2.gz UPHRMEDKQOLTTF-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CN(C)C(=O)c1cc(S(=O)(=O)N[C@H](CF)C(=O)[O-])cn1C ZINC001598151083 1017239544 /nfs/dbraw/zinc/23/95/44/1017239544.db2.gz RAUQOJUHMLFYID-MRVPVSSYSA-N -1 0 321.330 -0.572 20 0 DBADRM CN(C)C(=O)N1CCN(CC(=O)NCCC(=O)[O-])C(C)(C)C1 ZINC001598139318 1017239557 /nfs/dbraw/zinc/23/95/57/1017239557.db2.gz LMIQOTKSLPWSSH-UHFFFAOYSA-N -1 0 314.386 -0.345 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC001598138853 1017239954 /nfs/dbraw/zinc/23/99/54/1017239954.db2.gz MHGKTQWPRPQUOQ-UHFFFAOYSA-N -1 0 309.326 -0.593 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2C3CCC2(C(=O)[O-])CC3)nn1 ZINC001598134070 1017240153 /nfs/dbraw/zinc/24/01/53/1017240153.db2.gz JTIIFDRNRVTGSN-UHFFFAOYSA-N -1 0 321.337 -0.412 20 0 DBADRM CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccco1 ZINC001598169584 1017241654 /nfs/dbraw/zinc/24/16/54/1017241654.db2.gz GLRZEQXOAPTJJS-QWRGUYRKSA-N -1 0 323.349 -0.068 20 0 DBADRM CN1C[C@H](C(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)CC1=O ZINC001598160160 1017241772 /nfs/dbraw/zinc/24/17/72/1017241772.db2.gz AJJHCGDLRALINJ-SSDOTTSWSA-N -1 0 313.335 -0.544 20 0 DBADRM CN(C)C1(CS(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1 ZINC001598184538 1017241876 /nfs/dbraw/zinc/24/18/76/1017241876.db2.gz WKOAISJTQBXNLI-NXEZZACHSA-N -1 0 306.384 -0.822 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)C2=COCCO2)C1 ZINC001597998321 1017226164 /nfs/dbraw/zinc/22/61/64/1017226164.db2.gz KUJSOANOZOKEFE-UWVGGRQHSA-N -1 0 310.306 -0.736 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cnn(C)c2N)C1 ZINC001597998393 1017226241 /nfs/dbraw/zinc/22/62/41/1017226241.db2.gz LWJGZQOJCQCNFW-DTWKUNHWSA-N -1 0 321.337 -0.994 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)Cn2ccnc2)C1 ZINC001597997741 1017226303 /nfs/dbraw/zinc/22/63/03/1017226303.db2.gz ALPVTNHHVSBZDN-QWRGUYRKSA-N -1 0 306.322 -0.727 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)CCn2ccnn2)C1 ZINC001597998501 1017226324 /nfs/dbraw/zinc/22/63/24/1017226324.db2.gz OAHDFYASXJSVIB-QWRGUYRKSA-N -1 0 321.337 -0.942 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)Cn2ccnc2)C1 ZINC001597997742 1017226637 /nfs/dbraw/zinc/22/66/37/1017226637.db2.gz ALPVTNHHVSBZDN-WDEREUQCSA-N -1 0 306.322 -0.727 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001597998165 1017227101 /nfs/dbraw/zinc/22/71/01/1017227101.db2.gz ICFDBMNJWDLRFR-UWVGGRQHSA-N -1 0 320.305 -0.814 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001597998669 1017227282 /nfs/dbraw/zinc/22/72/82/1017227282.db2.gz RWHGOKNTIGGZEB-NXEZZACHSA-N -1 0 319.317 -0.209 20 0 DBADRM CN(C(=O)CN1CCN(C)[C@H](CO)C1)c1ccccc1C(=O)[O-] ZINC001598023613 1017228975 /nfs/dbraw/zinc/22/89/75/1017228975.db2.gz ZPCIZSCHNBQVGC-LBPRGKRZSA-N -1 0 321.377 -0.044 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)Cc2ccon2)C1 ZINC001597998720 1017229352 /nfs/dbraw/zinc/22/93/52/1017229352.db2.gz SLKCHLADLQUICW-QWRGUYRKSA-N -1 0 307.306 -0.393 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2ccnnc2)C1 ZINC001597998747 1017229938 /nfs/dbraw/zinc/22/99/38/1017229938.db2.gz UBWSYDWXFFDJAY-GHMZBOCLSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)Cn1ncn2nccc2c1=O)C1(C(=O)[O-])CCCC1 ZINC001598042173 1017231410 /nfs/dbraw/zinc/23/14/10/1017231410.db2.gz QHYSDJLAJWCUMC-UHFFFAOYSA-N -1 0 319.321 -0.253 20 0 DBADRM CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001598072449 1017231781 /nfs/dbraw/zinc/23/17/81/1017231781.db2.gz MLNSVGWNNQKTIK-AEJSXWLSSA-N -1 0 320.367 -0.889 20 0 DBADRM CN(C(=O)c1cc(S(N)(=O)=O)cn1C)C(C)(C)CC(=O)[O-] ZINC001598078876 1017232130 /nfs/dbraw/zinc/23/21/30/1017232130.db2.gz LKZHPLBBSMQOSR-UHFFFAOYSA-N -1 0 317.367 -0.002 20 0 DBADRM CN([C@H](COC1CCC1)C(=O)[O-])S(=O)(=O)N1CCOCC1 ZINC001598111204 1017232804 /nfs/dbraw/zinc/23/28/04/1017232804.db2.gz WANBPMVUGJZYPF-LLVKDONJSA-N -1 0 322.383 -0.483 20 0 DBADRM CCC1(C(=O)N[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001430698809 1007002558 /nfs/dbraw/zinc/00/25/58/1007002558.db2.gz SPCNZBDRJQBOOK-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1nc(CN[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)c(C)o1 ZINC001442016929 1007084793 /nfs/dbraw/zinc/08/47/93/1007084793.db2.gz IKTMNJUVKKNKON-SSDOTTSWSA-N -1 0 324.341 -0.411 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)[C@H]1CC1(C)C ZINC001431013386 1007138349 /nfs/dbraw/zinc/13/83/49/1007138349.db2.gz LCUJMTBHKQGXNC-HTQZYQBOSA-N -1 0 323.353 -0.189 20 0 DBADRM C[C@H](CCNC(=O)C1(C)CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001431028863 1007149949 /nfs/dbraw/zinc/14/99/49/1007149949.db2.gz HKLOYZRTXKTKEU-SECBINFHSA-N -1 0 322.365 -0.089 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001442082978 1007198438 /nfs/dbraw/zinc/19/84/38/1007198438.db2.gz YTFKULDTTVQLME-JRPNMDOOSA-N -1 0 323.397 -0.048 20 0 DBADRM C[C@H](C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C1CCC1 ZINC001431330859 1007354122 /nfs/dbraw/zinc/35/41/22/1007354122.db2.gz GYVNOHRTXYPNJR-QMMMGPOBSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001431361956 1007372443 /nfs/dbraw/zinc/37/24/43/1007372443.db2.gz QPUFWGWAXPQLEQ-URLYPYJESA-N -1 0 322.365 -0.153 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)Cc2cnoc2)c1[O-] ZINC001431444978 1007426159 /nfs/dbraw/zinc/42/61/59/1007426159.db2.gz YPPSAXHOCSKJFF-UHFFFAOYSA-N -1 0 307.310 -0.157 20 0 DBADRM CC(=O)NCC(=O)N[C@H](C)[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001442421056 1007429464 /nfs/dbraw/zinc/42/94/64/1007429464.db2.gz RZPTWIONRZDQFE-RQJHMYQMSA-N -1 0 311.342 -0.817 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1cncs1 ZINC001442458959 1007464776 /nfs/dbraw/zinc/46/47/76/1007464776.db2.gz AGLWMMSKRSGEJN-UHFFFAOYSA-N -1 0 310.339 -0.399 20 0 DBADRM Cc1c(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)nnn1C(C)C ZINC001442561103 1007550436 /nfs/dbraw/zinc/55/04/36/1007550436.db2.gz OWNFLLMJACWXQB-UHFFFAOYSA-N -1 0 322.373 -0.147 20 0 DBADRM CCN(CCNC(=O)[C@@H]1CCNC(=O)CC1)Cc1n[nH]c(=O)[n-]1 ZINC001442708189 1007624938 /nfs/dbraw/zinc/62/49/38/1007624938.db2.gz QWPXUEMHSUHUGG-JTQLQIEISA-N -1 0 324.385 -0.635 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CCC1CC1 ZINC001431606218 1007633417 /nfs/dbraw/zinc/63/34/17/1007633417.db2.gz JQWZVCDQLVPFID-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM CCN(CCNC(=O)Cc1cncn1C)Cc1n[nH]c(=O)[n-]1 ZINC001442750176 1007643283 /nfs/dbraw/zinc/64/32/83/1007643283.db2.gz JXAGCFYFWNYMQQ-UHFFFAOYSA-N -1 0 307.358 -0.575 20 0 DBADRM C[C@H](CNC(=O)c1cc[nH]c1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001442798874 1007665015 /nfs/dbraw/zinc/66/50/15/1007665015.db2.gz XCVIAHNGATZBLH-MRVPVSSYSA-N -1 0 322.325 -0.706 20 0 DBADRM C[C@@H](CNC(=O)c1cncn1C)N(C)C(=O)c1cnc[nH]c1=O ZINC001442830561 1007676928 /nfs/dbraw/zinc/67/69/28/1007676928.db2.gz TUYWHDLMRAMRSO-VIFPVBQESA-N -1 0 318.337 -0.194 20 0 DBADRM C[C@H](CNC(=O)c1cncn1C)N(C)C(=O)c1cnc[nH]c1=O ZINC001442830558 1007679179 /nfs/dbraw/zinc/67/91/79/1007679179.db2.gz TUYWHDLMRAMRSO-SECBINFHSA-N -1 0 318.337 -0.194 20 0 DBADRM CC(C)C(=O)NC[C@@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001431726398 1007688828 /nfs/dbraw/zinc/68/88/28/1007688828.db2.gz DMJIHRMOHZEFHY-VIFPVBQESA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(C)F ZINC001431755846 1007697728 /nfs/dbraw/zinc/69/77/28/1007697728.db2.gz ZUVPIPNYGBFENW-YFKPBYRVSA-N -1 0 301.278 -0.735 20 0 DBADRM C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001598224275 1017246381 /nfs/dbraw/zinc/24/63/81/1017246381.db2.gz BQJIZJPNVQIOPJ-WDEREUQCSA-N -1 0 316.354 -0.126 20 0 DBADRM COCC1(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001442892492 1007702801 /nfs/dbraw/zinc/70/28/01/1007702801.db2.gz VUEJBUZYKZEGFQ-SNVBAGLBSA-N -1 0 309.370 -0.125 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@H](C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001442895144 1007703499 /nfs/dbraw/zinc/70/34/99/1007703499.db2.gz PKQLGZHGRRHBDB-SFYZADRCSA-N -1 0 317.321 -0.600 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001598259817 1017250517 /nfs/dbraw/zinc/25/05/17/1017250517.db2.gz PLZUMOHOVDSWTI-SECBINFHSA-N -1 0 304.368 -0.409 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)NC1(C(=O)[O-])CCSCC1 ZINC001598260099 1017250597 /nfs/dbraw/zinc/25/05/97/1017250597.db2.gz XCWDLTFMMMAXGK-UHFFFAOYSA-N -1 0 310.397 -0.656 20 0 DBADRM CN(C)S(=O)(=O)N1CC(Nc2cncc(C(=O)[O-])n2)C1 ZINC001598265394 1017252255 /nfs/dbraw/zinc/25/22/55/1017252255.db2.gz PNCJYBBTBSZBJT-UHFFFAOYSA-N -1 0 301.328 -0.923 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001598265610 1017253003 /nfs/dbraw/zinc/25/30/03/1017253003.db2.gz XEMDHYBDPRFTCD-AOOOYVTPSA-N -1 0 319.383 -0.952 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]2C(=O)[O-])co1 ZINC001598269637 1017253036 /nfs/dbraw/zinc/25/30/36/1017253036.db2.gz CHYABQYGJKTFJA-MRVPVSSYSA-N -1 0 302.308 -0.171 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001598261763 1017253085 /nfs/dbraw/zinc/25/30/85/1017253085.db2.gz HCSJKDZEKHBWQA-JTQLQIEISA-N -1 0 321.399 -0.658 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CCO)(NC(=O)C3CC3)C2)c1[O-] ZINC001442977442 1007741610 /nfs/dbraw/zinc/74/16/10/1007741610.db2.gz DCOAWCKRCWQDGF-UHFFFAOYSA-N -1 0 308.338 -0.473 20 0 DBADRM CN(C)c1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])ccn1 ZINC001598287302 1017253716 /nfs/dbraw/zinc/25/37/16/1017253716.db2.gz AEJNVVOZIYBLAX-NSHDSACASA-N -1 0 320.349 -0.047 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cn1 ZINC001598330164 1017253919 /nfs/dbraw/zinc/25/39/19/1017253919.db2.gz JXZILXUWEOZAEH-SCZZXKLOSA-N -1 0 315.351 -0.644 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN1CCC[C@H](C(=O)[O-])C1 ZINC001598281806 1017254088 /nfs/dbraw/zinc/25/40/88/1017254088.db2.gz AWEJNTVWOPQASY-JTQLQIEISA-N -1 0 316.383 -0.166 20 0 DBADRM C[C@@H](C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCC1 ZINC001431873067 1007745317 /nfs/dbraw/zinc/74/53/17/1007745317.db2.gz AUGBODWFGKEZHY-JGVFFNPUSA-N -1 0 323.353 -0.047 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CN2CC[C@@](O)(C(=O)[O-])C2)o1 ZINC001598270758 1017254820 /nfs/dbraw/zinc/25/48/20/1017254820.db2.gz LAFSLNACJFOGJZ-LBPRGKRZSA-N -1 0 318.351 -0.449 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)[C@H]1CCCC(=O)N1 ZINC001443001452 1007754921 /nfs/dbraw/zinc/75/49/21/1007754921.db2.gz FRIDEGLAGZUDRA-SNVBAGLBSA-N -1 0 322.369 -0.740 20 0 DBADRM Cc1nccn1CC(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001443066718 1007777466 /nfs/dbraw/zinc/77/74/66/1007777466.db2.gz BZSNMKMZBSFQGA-UHFFFAOYSA-N -1 0 319.369 -0.204 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001432088617 1007808829 /nfs/dbraw/zinc/80/88/29/1007808829.db2.gz UVWRLCGSZZSQIX-CIUDSAMLSA-N -1 0 309.326 -0.938 20 0 DBADRM O=C(CCCF)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001432089608 1007809398 /nfs/dbraw/zinc/80/93/98/1007809398.db2.gz UGVTVLJIEQEMAW-SSDOTTSWSA-N -1 0 313.289 -0.637 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1C(=O)CCC1CC1 ZINC001432091206 1007810643 /nfs/dbraw/zinc/81/06/43/1007810643.db2.gz XTHHPVHHUBSIII-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM CN(CCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C(=O)C(F)F ZINC001443277214 1007822847 /nfs/dbraw/zinc/82/28/47/1007822847.db2.gz ZSZKRBAMYCBEBF-UHFFFAOYSA-N -1 0 318.328 -0.649 20 0 DBADRM CC(C)C(=O)NCC1(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001432143817 1007824135 /nfs/dbraw/zinc/82/41/35/1007824135.db2.gz HJZXWLZIKDVWAS-UHFFFAOYSA-N -1 0 323.353 -0.364 20 0 DBADRM CC[C@H](C)C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001432151529 1007827164 /nfs/dbraw/zinc/82/71/64/1007827164.db2.gz JUSJRWPJMUAAFF-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(C)C(=O)NC[C@@H]1[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001443347869 1007836510 /nfs/dbraw/zinc/83/65/10/1007836510.db2.gz GBCQZCIGIAPVCJ-OWUUHHOZSA-N -1 0 323.353 -0.834 20 0 DBADRM O=C(c1cccn2c(=O)[nH]nc12)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001443448671 1007849055 /nfs/dbraw/zinc/84/90/55/1007849055.db2.gz KPLCNIRTWSJNCJ-QMMMGPOBSA-N -1 0 316.281 -0.838 20 0 DBADRM CC[C@@H](C)C(=O)NC1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001432205394 1007849803 /nfs/dbraw/zinc/84/98/03/1007849803.db2.gz DZBJMYDNHFZTID-MRVPVSSYSA-N -1 0 323.353 -0.412 20 0 DBADRM Cn1cnc2cncc(C(=O)N3CCO[C@H](c4nnn[n-]4)C3)c21 ZINC001443450103 1007850157 /nfs/dbraw/zinc/85/01/57/1007850157.db2.gz MNQHRGQCEJVLNK-JTQLQIEISA-N -1 0 314.309 -0.305 20 0 DBADRM O=C([C@H]1CCc2nncn2CC1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001443452468 1007850258 /nfs/dbraw/zinc/85/02/58/1007850258.db2.gz QJSMFLPACYWSFF-UWVGGRQHSA-N -1 0 318.341 -0.656 20 0 DBADRM CCCC(=O)NC1(CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001432229069 1007861346 /nfs/dbraw/zinc/86/13/46/1007861346.db2.gz FBVTYFPJENFUJL-UHFFFAOYSA-N -1 0 323.353 -0.220 20 0 DBADRM O=C(CCC(F)F)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001432296310 1007882883 /nfs/dbraw/zinc/88/28/83/1007882883.db2.gz QQABUOHTKFZEKV-UHFFFAOYSA-N -1 0 319.268 -0.938 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)[O-] ZINC001594908579 1017070042 /nfs/dbraw/zinc/07/00/42/1017070042.db2.gz IIOAKFKGJUUXLE-JOYOIKCWSA-N -1 0 310.354 -0.003 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)[C@@H]1COC(=O)N1)C(=O)[O-] ZINC001594904712 1017070168 /nfs/dbraw/zinc/07/01/68/1017070168.db2.gz NCTYPZPPLXOVKC-FJXKBIBVSA-N -1 0 302.283 -0.747 20 0 DBADRM CC[C@](COC)(NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)OC ZINC001595189401 1017079620 /nfs/dbraw/zinc/07/96/20/1017079620.db2.gz LJTHFXPTYJTGBP-IGJMFERPSA-N -1 0 303.311 -0.297 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)c1cc(C(=O)[O-])on1 ZINC001595172487 1017079649 /nfs/dbraw/zinc/07/96/49/1017079649.db2.gz GDKLDKBSXXRRGZ-ZCFIWIBFSA-N -1 0 305.312 -0.570 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCC[C@@H](CO)[C@H]1CO)C(=O)[O-] ZINC001594894219 1017070392 /nfs/dbraw/zinc/07/03/92/1017070392.db2.gz NSHDSJLNKXYJKJ-CIQGVGRVSA-N -1 0 316.398 -0.333 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)[C@@H]1CCC(=O)N1C)C(=O)[O-] ZINC001594906067 1017070693 /nfs/dbraw/zinc/07/06/93/1017070693.db2.gz USCRNIQCKKFYAX-PTRXPTGYSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@H](C)N(CC(=O)OC)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001594982621 1017071901 /nfs/dbraw/zinc/07/19/01/1017071901.db2.gz MAPAUCLHYXLKJQ-VIFPVBQESA-N -1 0 310.372 -0.089 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)Cn2cccn2)c1[O-] ZINC001443731876 1007912277 /nfs/dbraw/zinc/91/22/77/1007912277.db2.gz SWXYGTRFRONTSY-SECBINFHSA-N -1 0 320.353 -0.103 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1CC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001443754759 1007918410 /nfs/dbraw/zinc/91/84/10/1007918410.db2.gz FGOXDQWFFFGNGR-SFYZADRCSA-N -1 0 323.353 -0.094 20 0 DBADRM CCC(CC)[C@H](C(=O)NC[C@H](O)C(=O)[O-])N1CCOCC1 ZINC001595105769 1017074935 /nfs/dbraw/zinc/07/49/35/1017074935.db2.gz SAMAOOQZGONIDV-NWDGAFQWSA-N -1 0 302.371 -0.315 20 0 DBADRM CC[C@H](C)CC(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001432406667 1007924555 /nfs/dbraw/zinc/92/45/55/1007924555.db2.gz GTVGPONJJVYNMZ-QMMMGPOBSA-N -1 0 323.353 -0.093 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001595139134 1017075938 /nfs/dbraw/zinc/07/59/38/1017075938.db2.gz BIZZDIQDROXMMK-UWVGGRQHSA-N -1 0 308.338 -0.060 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001595139548 1017076254 /nfs/dbraw/zinc/07/62/54/1017076254.db2.gz RIMBLGNYDVHJAP-RKDXNWHRSA-N -1 0 322.325 -0.837 20 0 DBADRM CC[C@@](COC)(NC(=O)Cn1cc([C@@H](C)O)nn1)C(=O)[O-] ZINC001595189517 1017077633 /nfs/dbraw/zinc/07/76/33/1017077633.db2.gz OVHKFLDXNAETAC-PELKAZGASA-N -1 0 300.315 -0.673 20 0 DBADRM CC[C@](COC)(NC(=O)C[C@H]1CCCS1(=O)=O)C(=O)[O-] ZINC001595188484 1017078007 /nfs/dbraw/zinc/07/80/07/1017078007.db2.gz PLXGUQKRPMTOAV-BXKDBHETSA-N -1 0 307.368 -0.050 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001595172570 1017079492 /nfs/dbraw/zinc/07/94/92/1017079492.db2.gz IDBSILZOWZFBNA-SSDOTTSWSA-N -1 0 316.339 -0.768 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H](C)C1CC1 ZINC001443945840 1007970872 /nfs/dbraw/zinc/97/08/72/1007970872.db2.gz YCYSIPDIWUWBHC-SFYZADRCSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1CC12CC2 ZINC001443953459 1007973213 /nfs/dbraw/zinc/97/32/13/1007973213.db2.gz KONDRFUQTIXADO-BDAKNGLRSA-N -1 0 323.353 -0.548 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)Cn1cccn1 ZINC001432648030 1007987208 /nfs/dbraw/zinc/98/72/08/1007987208.db2.gz XSTVCSBAWVGVRB-JTQLQIEISA-N -1 0 320.353 -0.055 20 0 DBADRM CC[C@H](CNC(=O)c1cnn(C)n1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001432742915 1008003911 /nfs/dbraw/zinc/00/39/11/1008003911.db2.gz VFUQVPDUJHJFIM-MRVPVSSYSA-N -1 0 321.341 -0.509 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@]2(O)CCN(C(=O)C3(C)CC3)C2)c1[O-] ZINC001432792824 1008021724 /nfs/dbraw/zinc/02/17/24/1008021724.db2.gz AYZYLTRAQJZLKO-HNNXBMFYSA-N -1 0 322.365 -0.083 20 0 DBADRM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001432949630 1008045852 /nfs/dbraw/zinc/04/58/52/1008045852.db2.gz QOFRIBHAOBKDBG-JGVFFNPUSA-N -1 0 323.353 -0.189 20 0 DBADRM CCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433210571 1008092399 /nfs/dbraw/zinc/09/23/99/1008092399.db2.gz GTOMDFSNPRSOSK-JGVFFNPUSA-N -1 0 309.326 -0.293 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@]23C[C@H]2CCC3)c1[O-] ZINC001433274546 1008130418 /nfs/dbraw/zinc/13/04/18/1008130418.db2.gz YBOXTDDORYUGDU-IQMDTDKHSA-N -1 0 322.365 -0.179 20 0 DBADRM CC[C@@H](F)C(=O)N(C)C[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001444703519 1008225440 /nfs/dbraw/zinc/22/54/40/1008225440.db2.gz GYXIJZDXNGYBLU-DTWKUNHWSA-N -1 0 316.333 -0.279 20 0 DBADRM CC[C@@H](F)C(=O)N(C)C[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001444703535 1008225502 /nfs/dbraw/zinc/22/55/02/1008225502.db2.gz GYXIJZDXNGYBLU-RKDXNWHRSA-N -1 0 316.333 -0.279 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CC(=O)Nc2cnccc21 ZINC001444829652 1008249080 /nfs/dbraw/zinc/24/90/80/1008249080.db2.gz VJKDHIKTVZBJQA-UHFFFAOYSA-N -1 0 306.307 -0.017 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCNC(=O)[C@H]1c1cccs1 ZINC001444981797 1008267104 /nfs/dbraw/zinc/26/71/04/1008267104.db2.gz FQIOQJVHWWYHML-SECBINFHSA-N -1 0 323.334 -0.550 20 0 DBADRM CN(CCN(C)C(=O)c1cn(C)ccc1=O)Cc1n[nH]c(=O)[n-]1 ZINC001445011261 1008272850 /nfs/dbraw/zinc/27/28/50/1008272850.db2.gz GNTSLYZOYJILKA-UHFFFAOYSA-N -1 0 320.353 -0.587 20 0 DBADRM O=C(NCCn1cnnn1)c1ncc(Br)cc1[O-] ZINC001445662385 1008416275 /nfs/dbraw/zinc/41/62/75/1008416275.db2.gz YVSIKNKCFNNUMP-UHFFFAOYSA-N -1 0 313.115 -0.034 20 0 DBADRM C[C@@H](NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ncccn1 ZINC001445643550 1008412775 /nfs/dbraw/zinc/41/27/75/1008412775.db2.gz NKIKAPIKPYXGMT-DTWKUNHWSA-N -1 0 321.341 -0.665 20 0 DBADRM CC(=O)N(C)C[C@@H]1CCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001445742689 1008428852 /nfs/dbraw/zinc/42/88/52/1008428852.db2.gz RXSYCWBVNPTHIO-JTQLQIEISA-N -1 0 311.342 -0.451 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001445931075 1008448725 /nfs/dbraw/zinc/44/87/25/1008448725.db2.gz AZJRALFTVJVICC-HLTSFMKQSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C(CN1CCCCC1=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001446047703 1008467003 /nfs/dbraw/zinc/46/70/03/1008467003.db2.gz GOEOQGMKVSCDCY-SNVBAGLBSA-N -1 0 322.369 -0.787 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)c1cnc2n1CCC2 ZINC001446180760 1008485945 /nfs/dbraw/zinc/48/59/45/1008485945.db2.gz GMZCOAAEGDQRTO-UHFFFAOYSA-N -1 0 317.353 -0.295 20 0 DBADRM CS(=O)(=O)CCN(C(=O)c1c[n-]n2c1nccc2=O)C1CC1 ZINC001446264052 1008497112 /nfs/dbraw/zinc/49/71/12/1008497112.db2.gz VWABSTHYAHZGOZ-UHFFFAOYSA-N -1 0 324.362 -0.328 20 0 DBADRM CNC(=O)NCC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC001446280965 1008497976 /nfs/dbraw/zinc/49/79/76/1008497976.db2.gz LSRRTWLWFNPSAZ-QMMMGPOBSA-N -1 0 304.347 -0.124 20 0 DBADRM CN(C(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CN(CCCF)C1 ZINC001446371770 1008506374 /nfs/dbraw/zinc/50/63/74/1008506374.db2.gz AVTWEPCMNRALSI-UHFFFAOYSA-N -1 0 313.333 -0.282 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)C1(C)CCC1 ZINC001457386220 1008525134 /nfs/dbraw/zinc/52/51/34/1008525134.db2.gz VHHNAMACPPGOMC-MRVPVSSYSA-N -1 0 323.353 -0.045 20 0 DBADRM CC(=O)N[C@H](CNC(=O)c1c[n-]n2c1nccc2=O)C(C)C ZINC001457619548 1008558661 /nfs/dbraw/zinc/55/86/61/1008558661.db2.gz YAWPQSQIEXHRGR-LLVKDONJSA-N -1 0 305.338 -0.087 20 0 DBADRM CC(C)C(=O)N[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001457653454 1008567170 /nfs/dbraw/zinc/56/71/70/1008567170.db2.gz IGMJMQQJANAZSX-VIFPVBQESA-N -1 0 313.358 -0.398 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001446603771 1008604859 /nfs/dbraw/zinc/60/48/59/1008604859.db2.gz OPKDWIDPSHNIOM-CLAHSXSESA-N -1 0 300.274 -0.111 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@]2(C)CCCN(CC(N)=O)C2)c1[O-] ZINC001446658746 1008639611 /nfs/dbraw/zinc/63/96/11/1008639611.db2.gz AZHWRBWNTPSIAH-AWEZNQCLSA-N -1 0 309.370 -0.259 20 0 DBADRM Cc1coc(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001446861790 1008830108 /nfs/dbraw/zinc/83/01/08/1008830108.db2.gz CIVWXRYMNYFSLC-UHFFFAOYSA-N -1 0 307.310 -0.612 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@@H]2CCC(=O)N2C)c1[O-] ZINC001458372747 1008833841 /nfs/dbraw/zinc/83/38/41/1008833841.db2.gz JHSCWYXKRHXIMZ-CBAPKCEASA-N -1 0 323.353 -0.721 20 0 DBADRM CCC(=O)NCCN1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001446893542 1008839723 /nfs/dbraw/zinc/83/97/23/1008839723.db2.gz NKHPIWUPJOJHGX-UHFFFAOYSA-N -1 0 309.370 -0.292 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CC12CCCC2 ZINC001446906541 1008844698 /nfs/dbraw/zinc/84/46/98/1008844698.db2.gz QMVDQIRHCRYAJF-SNVBAGLBSA-N -1 0 321.381 -0.247 20 0 DBADRM CC(F)(F)C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001458848564 1008886215 /nfs/dbraw/zinc/88/62/15/1008886215.db2.gz JHXWJKMMMUKEJK-UHFFFAOYSA-N -1 0 319.268 -0.891 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1 ZINC001447071671 1008892303 /nfs/dbraw/zinc/89/23/03/1008892303.db2.gz BDASFIQZNLHRDE-VIFPVBQESA-N -1 0 315.351 -0.107 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(NC(=O)C2=CCCC2)CC1 ZINC001459043982 1008926289 /nfs/dbraw/zinc/92/62/89/1008926289.db2.gz NUTCJZZQTZEQAX-UHFFFAOYSA-N -1 0 321.337 -0.435 20 0 DBADRM CCC(=O)NCC(=O)N(C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001459180670 1008970178 /nfs/dbraw/zinc/97/01/78/1008970178.db2.gz DSOWPNSWNPKABI-UHFFFAOYSA-N -1 0 323.353 -0.767 20 0 DBADRM COC[C@@H](O)CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001447310092 1009022278 /nfs/dbraw/zinc/02/22/78/1009022278.db2.gz XVWFCDYFNZWHSV-NSHDSACASA-N -1 0 306.326 -0.798 20 0 DBADRM CN(CCCN(C)C(=O)CCn1cncn1)Cc1n[nH]c(=O)[n-]1 ZINC001447317768 1009026242 /nfs/dbraw/zinc/02/62/42/1009026242.db2.gz CFDZXIJCPBSEOR-UHFFFAOYSA-N -1 0 322.373 -0.528 20 0 DBADRM COC(=O)c1cc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)n(C)n1 ZINC001447363721 1009048797 /nfs/dbraw/zinc/04/87/97/1009048797.db2.gz MYORTFGPGSXCGZ-ZETCQYMHSA-N -1 0 307.314 -0.405 20 0 DBADRM COC(=O)[C@@](C)(NCc1cc(=O)n2nc(N)[nH]c2n1)C1CC1 ZINC001459898539 1009065668 /nfs/dbraw/zinc/06/56/68/1009065668.db2.gz YWYSHICYCFNWIT-ZDUSSCGKSA-N -1 0 306.326 -0.569 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](NC(=O)C2CC2)C1 ZINC001447487863 1009107470 /nfs/dbraw/zinc/10/74/70/1009107470.db2.gz OGESIORYTVQFSB-AOOOYVTPSA-N -1 0 323.353 -0.357 20 0 DBADRM CNC(=O)N[C@@H]1CCCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001460770707 1009112847 /nfs/dbraw/zinc/11/28/47/1009112847.db2.gz JQRDNHIIHDHJAO-SNVBAGLBSA-N -1 0 304.354 -0.084 20 0 DBADRM CN(C(=O)CCN1C(=O)COc2ccccc21)c1nnn[n-]1 ZINC001461558966 1009143950 /nfs/dbraw/zinc/14/39/50/1009143950.db2.gz NEOOZMFLIMXREW-UHFFFAOYSA-N -1 0 302.294 -0.022 20 0 DBADRM CN1C[C@H](CCNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1=O ZINC001462816197 1009176845 /nfs/dbraw/zinc/17/68/45/1009176845.db2.gz NRUNPVPBPPQSFW-SECBINFHSA-N -1 0 318.337 -0.944 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC001463155223 1009196721 /nfs/dbraw/zinc/19/67/21/1009196721.db2.gz CFGGYDGHKRADRL-GXFFZTMASA-N -1 0 306.322 -0.605 20 0 DBADRM COC(=O)C1=NOC2(C1)CCN(C(=O)CCc1nnn[n-]1)CC2 ZINC001447635421 1009203295 /nfs/dbraw/zinc/20/32/95/1009203295.db2.gz RBYUZDRWFIFIRI-UHFFFAOYSA-N -1 0 322.325 -0.557 20 0 DBADRM Cc1cnccc1/C=C/C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001447644733 1009209437 /nfs/dbraw/zinc/20/94/37/1009209437.db2.gz JXPJVKGKOHSWNS-ONEGZZNKSA-N -1 0 311.363 -0.015 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)Cc1cc(OC)ns1)C(=O)OC ZINC001463392122 1009211912 /nfs/dbraw/zinc/21/19/12/1009211912.db2.gz JNMRGIJIIQMQPI-MRVPVSSYSA-N -1 0 324.380 -0.241 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1ncc[n-]1 ZINC001463360675 1009213787 /nfs/dbraw/zinc/21/37/87/1009213787.db2.gz LAZMBLGPNWGZGY-MRVPVSSYSA-N -1 0 308.385 -0.888 20 0 DBADRM CCOC(=O)CC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001463535772 1009226441 /nfs/dbraw/zinc/22/64/41/1009226441.db2.gz NSJUUTKCHGRJGX-UHFFFAOYSA-N -1 0 312.326 -0.119 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H](C)C(=O)NCCF ZINC001463591213 1009228432 /nfs/dbraw/zinc/22/84/32/1009228432.db2.gz RKEYCLHNYOOWEJ-SSDOTTSWSA-N -1 0 322.314 -0.181 20 0 DBADRM CO[C@H]([C@H](C)NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C1CC1 ZINC001463707805 1009235204 /nfs/dbraw/zinc/23/52/04/1009235204.db2.gz FIXYSLOPPFGDLY-OIBJUYFYSA-N -1 0 317.367 -0.422 20 0 DBADRM CN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001463651473 1009237401 /nfs/dbraw/zinc/23/74/01/1009237401.db2.gz XARPPTDERYVUBS-SECBINFHSA-N -1 0 320.305 -0.012 20 0 DBADRM CS(=O)(=O)c1cccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001463762574 1009243310 /nfs/dbraw/zinc/24/33/10/1009243310.db2.gz IHZXCSDXNQJZHI-UHFFFAOYSA-N -1 0 312.307 -0.269 20 0 DBADRM Cc1nc([C@@H]([N-]S(=O)(=O)C2COC2)c2cnn(C)c2)no1 ZINC001463780652 1009244896 /nfs/dbraw/zinc/24/48/96/1009244896.db2.gz FRHGFDCBBAMTJH-JTQLQIEISA-N -1 0 313.339 -0.481 20 0 DBADRM COC(=O)[C@@H](CO)NC(=O)CSc1n[n-]c(=S)s1 ZINC001463936550 1009265408 /nfs/dbraw/zinc/26/54/08/1009265408.db2.gz BQOUALCHSJZALP-SCSAIBSYSA-N -1 0 309.394 -0.431 20 0 DBADRM CO[N-]C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001463997020 1009274508 /nfs/dbraw/zinc/27/45/08/1009274508.db2.gz SRBMYAIDYICVIS-VIFPVBQESA-N -1 0 308.743 -0.343 20 0 DBADRM CN(C)c1noc(CCC(=O)N2CCC(O)(C(=O)[O-])CC2)n1 ZINC001598365292 1017257041 /nfs/dbraw/zinc/25/70/41/1017257041.db2.gz MWYBYRJKJXJWCY-UHFFFAOYSA-N -1 0 312.326 -0.494 20 0 DBADRM CN(C)c1noc(CCC(=O)N[C@@]2(CC(=O)[O-])CCOC2)n1 ZINC001598365057 1017257169 /nfs/dbraw/zinc/25/71/69/1017257169.db2.gz HMFBTDZHJXDJOT-CYBMUJFWSA-N -1 0 312.326 -0.182 20 0 DBADRM CN(C)c1ncc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cn1 ZINC001598359477 1017257529 /nfs/dbraw/zinc/25/75/29/1017257529.db2.gz RRTXLUWRWKSHDQ-AWEZNQCLSA-N -1 0 321.337 -0.196 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H](O)[C@H]1CCCO1 ZINC001464082845 1009292458 /nfs/dbraw/zinc/29/24/58/1009292458.db2.gz RTEQLJZQYWUNSS-VHSXEESVSA-N -1 0 314.429 -0.132 20 0 DBADRM CN(C)c1ncc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cn1 ZINC001598359478 1017257946 /nfs/dbraw/zinc/25/79/46/1017257946.db2.gz RRTXLUWRWKSHDQ-CQSZACIVSA-N -1 0 321.337 -0.196 20 0 DBADRM CN(C)c1n[nH]c(CNC(=O)Nc2ccn(CC(=O)[O-])n2)n1 ZINC001598365283 1017258360 /nfs/dbraw/zinc/25/83/60/1017258360.db2.gz MNHMQGWWSBWHNO-UHFFFAOYSA-N -1 0 308.302 -0.527 20 0 DBADRM CN(C)c1ncc(NC(=O)C(=O)NC2(CC(=O)[O-])CCC2)cn1 ZINC001598359245 1017258568 /nfs/dbraw/zinc/25/85/68/1017258568.db2.gz LFLZCRVSIZEFFQ-UHFFFAOYSA-N -1 0 321.337 -0.005 20 0 DBADRM CN([C@]1(CO)CCOC1)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001598366113 1017258594 /nfs/dbraw/zinc/25/85/94/1017258594.db2.gz BMEFGGDIZJZNJA-LBPRGKRZSA-N -1 0 318.351 -0.505 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001598365634 1017258670 /nfs/dbraw/zinc/25/86/70/1017258670.db2.gz WQUWDBISFOFPAX-MRVPVSSYSA-N -1 0 307.310 -0.586 20 0 DBADRM CN(C)c1ccnc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1 ZINC001598345991 1017258703 /nfs/dbraw/zinc/25/87/03/1017258703.db2.gz LKRGEQUINKQECU-GFCCVEGCSA-N -1 0 320.349 -0.047 20 0 DBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)CCc2nnn[n-]2)c1 ZINC001464236502 1009301843 /nfs/dbraw/zinc/30/18/43/1009301843.db2.gz ZLYDWDOKQSVCNH-UHFFFAOYSA-N -1 0 324.366 -0.012 20 0 DBADRM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001464265658 1009302728 /nfs/dbraw/zinc/30/27/28/1009302728.db2.gz GYXSTKXHLCLINR-BDAKNGLRSA-N -1 0 311.342 -0.418 20 0 DBADRM CN(C1CS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001598375647 1017259981 /nfs/dbraw/zinc/25/99/81/1017259981.db2.gz BABYRLRDLJYRHX-UHFFFAOYSA-N -1 0 319.360 -0.198 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001598375449 1017260086 /nfs/dbraw/zinc/26/00/86/1017260086.db2.gz YMGUFBDUDIHAEC-MWLCHTKSSA-N -1 0 322.383 -0.891 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@]1(CO)CCOC1 ZINC001598379413 1017260148 /nfs/dbraw/zinc/26/01/48/1017260148.db2.gz RMPIMPIQGKUPLX-AWEZNQCLSA-N -1 0 300.355 -0.607 20 0 DBADRM CCCN(CC(=O)N(C)C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001464395033 1009308711 /nfs/dbraw/zinc/30/87/11/1009308711.db2.gz DNCGKICERIBHNA-UHFFFAOYSA-N -1 0 313.358 -0.204 20 0 DBADRM CN(CC(=O)N[C@@H](CO)C(=O)[O-])C(=O)OCc1ccccc1 ZINC001598386917 1017260654 /nfs/dbraw/zinc/26/06/54/1017260654.db2.gz JNVONRCEUVRYCI-NSHDSACASA-N -1 0 310.306 -0.183 20 0 DBADRM CN(CC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC001598378846 1017260896 /nfs/dbraw/zinc/26/08/96/1017260896.db2.gz FJOQJNHCWROQON-MXWKQRLJSA-N -1 0 318.395 -0.573 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2nnn(C)n2)cc1F ZINC001464430745 1009313999 /nfs/dbraw/zinc/31/39/99/1009313999.db2.gz VAGABXJYAMYAHK-UHFFFAOYSA-N -1 0 315.286 -0.063 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2nnn(C)n2)ccc1F ZINC001464424687 1009314234 /nfs/dbraw/zinc/31/42/34/1009314234.db2.gz ACEPDIFTQJAAIK-UHFFFAOYSA-N -1 0 315.286 -0.063 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001598374758 1017262031 /nfs/dbraw/zinc/26/20/31/1017262031.db2.gz JNHFGTMMOQESQM-MWLCHTKSSA-N -1 0 322.383 -0.579 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C2CC(OC)(OC)C2)on1 ZINC001464598061 1009324539 /nfs/dbraw/zinc/32/45/39/1009324539.db2.gz VELMFYNWYUDKRT-UHFFFAOYSA-N -1 0 320.323 -0.109 20 0 DBADRM O=C(CNC(=O)c1c[n-]n2c1nccc2=O)Nc1cccnc1 ZINC001464665251 1009331285 /nfs/dbraw/zinc/33/12/85/1009331285.db2.gz FTEKCEQRIYXZEE-UHFFFAOYSA-N -1 0 312.289 -0.214 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001464695979 1009334848 /nfs/dbraw/zinc/33/48/48/1009334848.db2.gz MVRXJRKJUPGWCW-RNFRBKRXSA-N -1 0 320.289 -0.307 20 0 DBADRM NS(=O)(=O)Cc1cccc(CNC(=O)c2c[n-]ncc2=O)c1 ZINC001464716570 1009336732 /nfs/dbraw/zinc/33/67/32/1009336732.db2.gz FGQVAXLBYGXYHY-UHFFFAOYSA-N -1 0 322.346 -0.099 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001598430514 1017266553 /nfs/dbraw/zinc/26/65/53/1017266553.db2.gz QGTDPJUYKLJGMA-UHFFFAOYSA-N -1 0 309.278 -0.968 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001598432844 1017266587 /nfs/dbraw/zinc/26/65/87/1017266587.db2.gz NXNXPSYQERCEIX-USWWRNFRSA-N -1 0 312.366 -0.025 20 0 DBADRM CN(CC(C)(CO)CO)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598426497 1017266615 /nfs/dbraw/zinc/26/66/15/1017266615.db2.gz UAHIMBBUKOLANJ-UHFFFAOYSA-N -1 0 318.351 -0.609 20 0 DBADRM CN(CC(=O)OCc1noc(CCC(=O)[O-])n1)S(C)(=O)=O ZINC001598417335 1017266751 /nfs/dbraw/zinc/26/67/51/1017266751.db2.gz GSHFPNAZIBVNQP-UHFFFAOYSA-N -1 0 321.311 -0.979 20 0 DBADRM CN(CC(=O)OCC(=O)[O-])C1=NS(=O)(=O)c2ccccc21 ZINC001598417510 1017267505 /nfs/dbraw/zinc/26/75/05/1017267505.db2.gz HFRBFNWYDNNDLS-UHFFFAOYSA-N -1 0 312.303 -0.305 20 0 DBADRM CN(CC(C)(C)CNC(=O)c1nnc[nH]1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598423468 1017267870 /nfs/dbraw/zinc/26/78/70/1017267870.db2.gz DFUPKMREJLSMEI-IUCAKERBSA-N -1 0 323.353 -0.260 20 0 DBADRM CN(CC(=O)O[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)S(C)(=O)=O ZINC001598418146 1017268192 /nfs/dbraw/zinc/26/81/92/1017268192.db2.gz QNDIKSVELCQBNO-RGOKHQFPSA-N -1 0 305.352 -0.080 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)C[C@@H]2COC(=O)C2)c1[O-] ZINC001447871872 1009362827 /nfs/dbraw/zinc/36/28/27/1009362827.db2.gz MGMCOSLOQWAVTE-APPZFPTMSA-N -1 0 324.337 -0.389 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001447872001 1009363217 /nfs/dbraw/zinc/36/32/17/1009363217.db2.gz ZLTHUBNHUZGWLI-PRQTWWFRSA-N -1 0 308.338 -0.449 20 0 DBADRM O=C(C[C@H]1CC(=O)N1)Nc1ccc(OCc2nnn[n-]2)cc1 ZINC001465208811 1009364473 /nfs/dbraw/zinc/36/44/73/1009364473.db2.gz UNPOSIGINRFZOY-VIFPVBQESA-N -1 0 302.294 -0.004 20 0 DBADRM COCC[C@@](C)(O)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001465426557 1009374372 /nfs/dbraw/zinc/37/43/72/1009374372.db2.gz PNPAUZZZYCICAF-CQSZACIVSA-N -1 0 320.353 -0.408 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)CSc2n[nH]c(=O)[n-]2)CC1=O ZINC001465480839 1009374764 /nfs/dbraw/zinc/37/47/64/1009374764.db2.gz VPRPDWNNECEQAT-BWZBUEFSSA-N -1 0 311.367 -0.272 20 0 DBADRM O=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001465506358 1009377116 /nfs/dbraw/zinc/37/71/16/1009377116.db2.gz BKLLBDNNWRDTJJ-VIFPVBQESA-N -1 0 317.305 -0.564 20 0 DBADRM CCC[C@@H](NC(=O)C[C@]1(C)CCS(=O)(=O)N1)c1nnn[n-]1 ZINC001465684958 1009382852 /nfs/dbraw/zinc/38/28/52/1009382852.db2.gz FPQDAGZUZNSEDV-KCJUWKMLSA-N -1 0 316.387 -0.371 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001465725631 1009385165 /nfs/dbraw/zinc/38/51/65/1009385165.db2.gz WVGKTPUUCHMHPO-WHFBIAKZSA-N -1 0 307.232 -0.559 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001465725629 1009386401 /nfs/dbraw/zinc/38/64/01/1009386401.db2.gz WVGKTPUUCHMHPO-RFZPGFLSSA-N -1 0 307.232 -0.559 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC001465851968 1009388367 /nfs/dbraw/zinc/38/83/67/1009388367.db2.gz MGSWDZLDRLHXOY-UHFFFAOYSA-N -1 0 302.312 -0.867 20 0 DBADRM O=C([C@@H]1CCc2nncn2C1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001466291205 1009411765 /nfs/dbraw/zinc/41/17/65/1009411765.db2.gz VXHUWEBSNHQCAN-VHSXEESVSA-N -1 0 302.342 -0.240 20 0 DBADRM O=C([C@H]1CCc2nncn2C1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001466291204 1009413067 /nfs/dbraw/zinc/41/30/67/1009413067.db2.gz VXHUWEBSNHQCAN-UWVGGRQHSA-N -1 0 302.342 -0.240 20 0 DBADRM O=C([C@@H]1CCc2nncn2C1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001466291203 1009413311 /nfs/dbraw/zinc/41/33/11/1009413311.db2.gz VXHUWEBSNHQCAN-NXEZZACHSA-N -1 0 302.342 -0.240 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC001466547438 1009428894 /nfs/dbraw/zinc/42/88/94/1009428894.db2.gz RCICMVYBDBRNON-KOLCDFICSA-N -1 0 320.357 -0.110 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccc2c(c1F)CCNC2=O ZINC001466520503 1009429045 /nfs/dbraw/zinc/42/90/45/1009429045.db2.gz CCSDIUQRBIBBND-UHFFFAOYSA-N -1 0 310.285 -0.089 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@]2(O)CCSC2)ccc1[O-] ZINC001466544583 1009429583 /nfs/dbraw/zinc/42/95/83/1009429583.db2.gz FCIQBDLITFVPRY-NSHDSACASA-N -1 0 318.376 -0.154 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)OC)C1 ZINC001466547565 1009430048 /nfs/dbraw/zinc/43/00/48/1009430048.db2.gz XDMLRLQZWLZRPX-ZANVPECISA-N -1 0 308.342 -0.078 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001466654522 1009437035 /nfs/dbraw/zinc/43/70/35/1009437035.db2.gz ZNZBWIUBZKVHFT-UHFFFAOYSA-N -1 0 320.371 -0.637 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H](CCO)C1CCOCC1 ZINC001466711998 1009441505 /nfs/dbraw/zinc/44/15/05/1009441505.db2.gz VWVZDRMETPQEKM-VIFPVBQESA-N -1 0 316.383 -0.104 20 0 DBADRM COC(=O)N1CC(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001448005105 1009445132 /nfs/dbraw/zinc/44/51/32/1009445132.db2.gz PJHVODQYRFFGAP-UHFFFAOYSA-N -1 0 317.309 -0.745 20 0 DBADRM COc1ncc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)cn1 ZINC001448002753 1009446613 /nfs/dbraw/zinc/44/66/13/1009446613.db2.gz MEMCHXXBTGIDNF-QMMMGPOBSA-N -1 0 307.339 -0.071 20 0 DBADRM C[C@@H](CNC(=O)CC1OCCCO1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448000807 1009446804 /nfs/dbraw/zinc/44/68/04/1009446804.db2.gz GOIOCBILRKJJAK-VIFPVBQESA-N -1 0 313.358 -0.400 20 0 DBADRM CC(=O)C[C@H]1COCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001466819759 1009449057 /nfs/dbraw/zinc/44/90/57/1009449057.db2.gz WRMXWYNXGMIHAA-JTQLQIEISA-N -1 0 304.306 -0.157 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCCC(=O)C1CC1 ZINC001466838302 1009450471 /nfs/dbraw/zinc/45/04/71/1009450471.db2.gz WXRXPONNFDSZGU-UHFFFAOYSA-N -1 0 304.368 -0.282 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](OCc2ccncc2)C1 ZINC001466837060 1009451909 /nfs/dbraw/zinc/45/19/09/1009451909.db2.gz BHVXXTUOUGHHDU-LLVKDONJSA-N -1 0 319.321 -0.098 20 0 DBADRM CCn1[nH]c(C)nc1=NC(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001466921810 1009460978 /nfs/dbraw/zinc/46/09/78/1009460978.db2.gz HPSBZRZWRYTCHV-UHFFFAOYSA-N -1 0 305.346 -0.047 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001448024647 1009469045 /nfs/dbraw/zinc/46/90/45/1009469045.db2.gz IYHNLCJHAUFBBR-SECBINFHSA-N -1 0 315.337 -0.622 20 0 DBADRM O=C(NCCc1n[n-]c(=S)o1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001467313986 1009483100 /nfs/dbraw/zinc/48/31/00/1009483100.db2.gz PEQTUGVUQCIXLC-ZCFIWIBFSA-N -1 0 310.339 -0.423 20 0 DBADRM C[C@@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CC[C@@H]1O ZINC001467356632 1009488235 /nfs/dbraw/zinc/48/82/35/1009488235.db2.gz KVGZKMWTPNDYAN-SKDRFNHKSA-N -1 0 302.338 -0.082 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)CCCc2nnn[n-]2)C1 ZINC001467409554 1009491936 /nfs/dbraw/zinc/49/19/36/1009491936.db2.gz YSRNETYTUDGQFW-VIFPVBQESA-N -1 0 316.387 -0.951 20 0 DBADRM O=C(c1cn2c(n1)CCC2)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001467456631 1009494514 /nfs/dbraw/zinc/49/45/14/1009494514.db2.gz PFGARINGPIZJGR-UHFFFAOYSA-N -1 0 303.326 -0.534 20 0 DBADRM CN(C)c1ncccc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001467456855 1009496642 /nfs/dbraw/zinc/49/66/42/1009496642.db2.gz VPIFEIHZMONPSP-UHFFFAOYSA-N -1 0 317.353 -0.216 20 0 DBADRM O=C(N1CCC(O)(c2nnn[n-]2)CC1)C1(n2cccn2)CC1 ZINC001467455606 1009496865 /nfs/dbraw/zinc/49/68/65/1009496865.db2.gz JDJUSEMLPYKASJ-UHFFFAOYSA-N -1 0 303.326 -0.605 20 0 DBADRM Cc1cnc(CN(C)[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001448056255 1009501648 /nfs/dbraw/zinc/50/16/48/1009501648.db2.gz SCXCFWLJOGLXOI-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCc2cccnn2)c1 ZINC001467532105 1009506284 /nfs/dbraw/zinc/50/62/84/1009506284.db2.gz QUNALBCEXWJPGN-UHFFFAOYSA-N -1 0 308.319 -0.240 20 0 DBADRM COc1ccc(-n2cc([O-])c(C(=O)NC[C@H](O)C(N)=O)n2)cc1 ZINC001467711025 1009515251 /nfs/dbraw/zinc/51/52/51/1009515251.db2.gz HNBQKZQBYGEAOD-JTQLQIEISA-N -1 0 320.305 -0.838 20 0 DBADRM COC(=O)N1CCC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001467827107 1009523464 /nfs/dbraw/zinc/52/34/64/1009523464.db2.gz XSWRAKVCIDAOPV-UHFFFAOYSA-N -1 0 313.314 -0.716 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC001468074211 1009538409 /nfs/dbraw/zinc/53/84/09/1009538409.db2.gz XOLBVUMWGZMPFM-BQBZGAKWSA-N -1 0 314.323 -0.926 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001468229332 1009551132 /nfs/dbraw/zinc/55/11/32/1009551132.db2.gz WWNJBMLEXMPEME-MRVPVSSYSA-N -1 0 318.355 -0.885 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H](CO)Cc2ccccc21 ZINC001468317598 1009559341 /nfs/dbraw/zinc/55/93/41/1009559341.db2.gz VIDYKGLYZVAYAC-SECBINFHSA-N -1 0 304.306 -0.113 20 0 DBADRM CN(C[C@H]1CCC[C@@H]1O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001598454617 1017269813 /nfs/dbraw/zinc/26/98/13/1017269813.db2.gz FWEXCHDEIYTRAR-MNOVXSKESA-N -1 0 315.370 -0.230 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)NC1CC(C(=O)[O-])C1 ZINC001598436369 1017270227 /nfs/dbraw/zinc/27/02/27/1017270227.db2.gz MGSXGDBXONPLOZ-MCIGGMRASA-N -1 0 315.370 -0.816 20 0 DBADRM CN(C[C@H](O)CN1CCO[C@@H](C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001598436672 1017270451 /nfs/dbraw/zinc/27/04/51/1017270451.db2.gz QDWSNPNCFMRXSR-WDEREUQCSA-N -1 0 318.370 0.000 20 0 DBADRM CN(C[C@H]1CCCC[C@@H]1O)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598455795 1017270479 /nfs/dbraw/zinc/27/04/79/1017270479.db2.gz PHRPDTFRKMHIMU-WYUUTHIRSA-N -1 0 312.366 -0.025 20 0 DBADRM CN(C[C@@H]1CCC[C@H]1O)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598454222 1017270573 /nfs/dbraw/zinc/27/05/73/1017270573.db2.gz CDGXIZBOESZJAF-QJPTWQEYSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(CC1CC1)C(=O)CN1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001598448398 1017270620 /nfs/dbraw/zinc/27/06/20/1017270620.db2.gz PYIUUXQDHRRPTR-CHWSQXEVSA-N -1 0 323.393 -0.377 20 0 DBADRM CN(C[C@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)c1ccoc1 ZINC001598435537 1017270726 /nfs/dbraw/zinc/27/07/26/1017270726.db2.gz GELBVNPLRVKPSN-SNVBAGLBSA-N -1 0 320.305 -0.265 20 0 DBADRM CN(CC1CC1)C(=O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001598448923 1017270970 /nfs/dbraw/zinc/27/09/70/1017270970.db2.gz YRDPNFXLJQYJEE-LLVKDONJSA-N -1 0 318.395 -0.572 20 0 DBADRM CN(C[C@@H](O)Cc1ccccc1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001468546258 1009572267 /nfs/dbraw/zinc/57/22/67/1009572267.db2.gz QHCVMYUIVQELDX-NSHDSACASA-N -1 0 306.322 -0.249 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598468292 1017271771 /nfs/dbraw/zinc/27/17/71/1017271771.db2.gz WAMNDDHORCSGHA-VIFPVBQESA-N -1 0 323.305 -0.408 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@]12CC(=O)N[C@H]1CCCC2 ZINC001598470142 1017272261 /nfs/dbraw/zinc/27/22/61/1017272261.db2.gz KSBFVQBNBJCWGX-JOYOIKCWSA-N -1 0 319.383 -0.571 20 0 DBADRM CN(C[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1)S(C)(=O)=O ZINC001598460661 1017272306 /nfs/dbraw/zinc/27/23/06/1017272306.db2.gz YKPZNQADIDSTHE-OUAUKWLOSA-N -1 0 318.395 -0.163 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598467038 1017272318 /nfs/dbraw/zinc/27/23/18/1017272318.db2.gz GXQVBJVOVSSOJX-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM CN(C[C@H]1COCCO1)c1nnnn1[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001598468065 1017272374 /nfs/dbraw/zinc/27/23/74/1017272374.db2.gz RLNLRGORRKOHMI-VWYCJHECSA-N -1 0 311.342 -0.050 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@H](OC(F)F)C1 ZINC001598470949 1017272829 /nfs/dbraw/zinc/27/28/29/1017272829.db2.gz RQDBWMMABFNOMH-ZETCQYMHSA-N -1 0 302.299 -0.049 20 0 DBADRM CS[C@H](C)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001448163286 1009580885 /nfs/dbraw/zinc/58/08/85/1009580885.db2.gz PGTUWEIJEAUFIY-MRVPVSSYSA-N -1 0 315.399 -0.685 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598468290 1017273114 /nfs/dbraw/zinc/27/31/14/1017273114.db2.gz WAMNDDHORCSGHA-SECBINFHSA-N -1 0 323.305 -0.408 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@@H](c2nncn2C)C1 ZINC001598470223 1017273210 /nfs/dbraw/zinc/27/32/10/1017273210.db2.gz BKRRDLKANWJEOH-SECBINFHSA-N -1 0 317.371 -0.744 20 0 DBADRM CN(CCCN(C)c1ncc(C(=O)[O-])cn1)C(=O)c1nc[nH]n1 ZINC001598477657 1017274421 /nfs/dbraw/zinc/27/44/21/1017274421.db2.gz CHLXSZBYKHYRAU-UHFFFAOYSA-N -1 0 319.325 -0.109 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1ncn(C)n1 ZINC001598479376 1017274505 /nfs/dbraw/zinc/27/45/05/1017274505.db2.gz IZAVYCSJCLLSNT-BDAKNGLRSA-N -1 0 309.326 -0.886 20 0 DBADRM CN(CCCC(=O)NC[C@H](O)CC(=O)[O-])C(=O)c1ccncc1 ZINC001598471798 1017274709 /nfs/dbraw/zinc/27/47/09/1017274709.db2.gz GOLODOKUNHJYIT-GFCCVEGCSA-N -1 0 323.349 -0.114 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1ncn(C)n1 ZINC001598477498 1017274738 /nfs/dbraw/zinc/27/47/38/1017274738.db2.gz PDTRNUYIMAUBPQ-UWVGGRQHSA-N -1 0 323.353 -0.544 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCN(CC(F)F)C1 ZINC001598471620 1017274829 /nfs/dbraw/zinc/27/48/29/1017274829.db2.gz WYKBIUDBPZCXNB-QMMMGPOBSA-N -1 0 315.342 -0.433 20 0 DBADRM COC(=O)[C@](C)(CO)NC(=O)CSc1n[n-]c(=S)s1 ZINC001468888318 1009599841 /nfs/dbraw/zinc/59/98/41/1009599841.db2.gz ZALRVJZOWDGVTF-VIFPVBQESA-N -1 0 323.421 -0.041 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC001598479834 1017276315 /nfs/dbraw/zinc/27/63/15/1017276315.db2.gz GZJIRQNEFAHSOF-MNOVXSKESA-N -1 0 321.399 -0.957 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001598479901 1017276480 /nfs/dbraw/zinc/27/64/80/1017276480.db2.gz NSQNUKZOCPJZTK-KKJSVHSVSA-N -1 0 310.350 -0.436 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc2nnnn2n1 ZINC001598480004 1017276842 /nfs/dbraw/zinc/27/68/42/1017276842.db2.gz QHIXIHPPTSTQNU-IUCAKERBSA-N -1 0 319.325 -0.818 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)CCn1ccnc1 ZINC001598479770 1017277147 /nfs/dbraw/zinc/27/71/47/1017277147.db2.gz MIHYYWGTRZVEGW-RYUDHWBXSA-N -1 0 322.365 -0.041 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1cnn(C)c1N ZINC001598480437 1017277220 /nfs/dbraw/zinc/27/72/20/1017277220.db2.gz VDVVNNUIYZPFBL-BDAKNGLRSA-N -1 0 323.353 -0.699 20 0 DBADRM CN(CCCNC(=O)c1cnn(C)n1)c1ncc(C(=O)[O-])cn1 ZINC001598481121 1017277250 /nfs/dbraw/zinc/27/72/50/1017277250.db2.gz HAAQMUUUQOTUQW-UHFFFAOYSA-N -1 0 319.325 -0.440 20 0 DBADRM CN(CCCNC(=O)Cc1cnn(C)c1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598480843 1017277485 /nfs/dbraw/zinc/27/74/85/1017277485.db2.gz ZBXGHAHWIOPTFN-RYUDHWBXSA-N -1 0 322.365 -0.352 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)CCc1nnc[nH]1 ZINC001598479973 1017277753 /nfs/dbraw/zinc/27/77/53/1017277753.db2.gz PHPLVWFMHUWMCP-UWVGGRQHSA-N -1 0 323.353 -0.577 20 0 DBADRM CN(CCCNC(=O)c1c[nH]c(=O)cn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598481202 1017277851 /nfs/dbraw/zinc/27/78/51/1017277851.db2.gz JEHRMUAAAGXIDA-IUCAKERBSA-N -1 0 322.321 -0.931 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1ccn(C)n1 ZINC001598480195 1017277969 /nfs/dbraw/zinc/27/79/69/1017277969.db2.gz SQODZQBHEZILPS-UWVGGRQHSA-N -1 0 308.338 -0.281 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC001468958421 1009610851 /nfs/dbraw/zinc/61/08/51/1009610851.db2.gz AGVDGYINQZSJNH-NSHDSACASA-N -1 0 319.277 -0.447 20 0 DBADRM CN(CCCNc1nccn2nnnc12)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598483108 1017279479 /nfs/dbraw/zinc/27/94/79/1017279479.db2.gz NHBKHSWJWJKNHI-RKDXNWHRSA-N -1 0 319.325 -0.500 20 0 DBADRM CN(CCN(C)c1ncc(C(=O)[O-])cn1)C(=O)[C@@H]1CCC(=O)N1 ZINC001598487618 1017282789 /nfs/dbraw/zinc/28/27/89/1017282789.db2.gz YFEPHOBIHGJTHO-JTQLQIEISA-N -1 0 321.337 -0.652 20 0 DBADRM O=C(NC[C@H]1CNC(=O)C1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001469019775 1009617096 /nfs/dbraw/zinc/61/70/96/1009617096.db2.gz RNHJSIUNCZEEJB-MRVPVSSYSA-N -1 0 317.305 -0.868 20 0 DBADRM CN(CCCNC(=O)[C@@H]1CCC(=O)N1)c1ccnc(C(=O)[O-])n1 ZINC001598481453 1017280321 /nfs/dbraw/zinc/28/03/21/1017280321.db2.gz RSFLMSLRVTXQRP-VIFPVBQESA-N -1 0 321.337 -0.604 20 0 DBADRM CN(CCN(C)c1nccn2nnnc12)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598487369 1017280385 /nfs/dbraw/zinc/28/03/85/1017280385.db2.gz MGESSBZSJYOJHT-RKDXNWHRSA-N -1 0 319.325 -0.865 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)c1cc(C(=O)[O-])on1 ZINC001598487986 1017282001 /nfs/dbraw/zinc/28/20/01/1017282001.db2.gz BNTFQOPIAWRRLL-UHFFFAOYSA-N -1 0 317.323 -0.520 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001448235627 1009642657 /nfs/dbraw/zinc/64/26/57/1009642657.db2.gz WYQZCHFZUZZJFJ-QMMMGPOBSA-N -1 0 309.326 -0.936 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001469795916 1009690254 /nfs/dbraw/zinc/69/02/54/1009690254.db2.gz QZAPNEIANCXLGB-VIFPVBQESA-N -1 0 304.368 -0.615 20 0 DBADRM CC1(C(N)=O)CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001469413660 1009656029 /nfs/dbraw/zinc/65/60/29/1009656029.db2.gz XRWKIFXKKWSAKC-UHFFFAOYSA-N -1 0 317.305 -0.786 20 0 DBADRM O=C(N[C@H]([C@H]1CCCO1)C1(CO)CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001469483899 1009657915 /nfs/dbraw/zinc/65/79/15/1009657915.db2.gz IVDYTFLSEMJPTH-PSASIEDQSA-N -1 0 324.337 -0.277 20 0 DBADRM Cc1cc(CC(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001448275985 1009666765 /nfs/dbraw/zinc/66/67/65/1009666765.db2.gz DJROYRUPRGOXCU-VIFPVBQESA-N -1 0 320.353 -0.014 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1 ZINC001469796125 1009687560 /nfs/dbraw/zinc/68/75/60/1009687560.db2.gz SYOYMCJJVQKQCA-SNVBAGLBSA-N -1 0 323.353 -0.653 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[n-]ncc2=O)CCN1S(C)(=O)=O ZINC001470126945 1009712654 /nfs/dbraw/zinc/71/26/54/1009712654.db2.gz VJKWYTNRKQQDPD-MRVPVSSYSA-N -1 0 300.340 -0.712 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448341668 1009722190 /nfs/dbraw/zinc/72/21/90/1009722190.db2.gz FBGODRSWXCEZDX-DTWKUNHWSA-N -1 0 309.326 -0.791 20 0 DBADRM O=C(C=Cc1cncc(O)c1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448342220 1009726899 /nfs/dbraw/zinc/72/68/99/1009726899.db2.gz IMKOLNXRZCSMAP-OWOJBTEDSA-N -1 0 316.321 -0.176 20 0 DBADRM O=C([C@@H]1CCn2cncc2C1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448341464 1009727105 /nfs/dbraw/zinc/72/71/05/1009727105.db2.gz FRXWCXHAOKJDLB-SNVBAGLBSA-N -1 0 317.353 -0.531 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448351135 1009729417 /nfs/dbraw/zinc/72/94/17/1009729417.db2.gz QZDAGVIVQXAIJH-SECBINFHSA-N -1 0 308.342 -0.979 20 0 DBADRM COC1(OC)CCOC[C@@H]1NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001470325998 1009733615 /nfs/dbraw/zinc/73/36/15/1009733615.db2.gz JPZGBJJIQXEPPQ-ZETCQYMHSA-N -1 0 318.355 -0.503 20 0 DBADRM C=CC(=O)N(CC)CC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448354183 1009733914 /nfs/dbraw/zinc/73/39/14/1009733914.db2.gz VRJYPXUQEQHWPW-UHFFFAOYSA-N -1 0 308.342 -0.956 20 0 DBADRM CSCC[C@H](NC(=O)Cn1ccccc1=O)c1nnn[n-]1 ZINC001470329747 1009735689 /nfs/dbraw/zinc/73/56/89/1009735689.db2.gz PINAISDNKDSNHL-VIFPVBQESA-N -1 0 308.367 -0.028 20 0 DBADRM CSCC[C@H](NC(=O)c1cccnc1C(N)=O)c1nnn[n-]1 ZINC001470329373 1009736583 /nfs/dbraw/zinc/73/65/83/1009736583.db2.gz JZENBKMYVRAVON-QMMMGPOBSA-N -1 0 321.366 -0.082 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001448385832 1009741209 /nfs/dbraw/zinc/74/12/09/1009741209.db2.gz OGCHJRPUOCZVSY-WPRPVWTQSA-N -1 0 324.385 -0.639 20 0 DBADRM CN(CC(=O)N1CCCC1)C(=O)c1c[n-]n2c1nccc2=O ZINC001470545224 1009752697 /nfs/dbraw/zinc/75/26/97/1009752697.db2.gz COXRYSVLZYMRJH-UHFFFAOYSA-N -1 0 303.322 -0.283 20 0 DBADRM CN(C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1)c1nnn[n-]1 ZINC001470571141 1009762227 /nfs/dbraw/zinc/76/22/27/1009762227.db2.gz IBTBTRXCAGUCLB-RKDXNWHRSA-N -1 0 320.334 -0.133 20 0 DBADRM CCNS(=O)(=O)c1ccc(CC(=O)N(C)c2nnn[n-]2)cc1 ZINC001470572682 1009762320 /nfs/dbraw/zinc/76/23/20/1009762320.db2.gz SEBHPVCUZQOMKW-UHFFFAOYSA-N -1 0 324.366 -0.297 20 0 DBADRM NC(=O)c1cnc(C(=O)[N-]n2ccc(=O)[nH]c2=O)c(Cl)c1 ZINC001470660147 1009773962 /nfs/dbraw/zinc/77/39/62/1009773962.db2.gz LLAFRDLLJLBIPT-UHFFFAOYSA-N -1 0 309.669 -0.520 20 0 DBADRM O=C(C1=C2CCCN=C2NN1)N1CCC(c2nnn[n-]2)CC1 ZINC001471334994 1009817908 /nfs/dbraw/zinc/81/79/08/1009817908.db2.gz ZWANOKILFIHLAG-UHFFFAOYSA-N -1 0 302.342 -0.540 20 0 DBADRM O=C(c1cn2c(n1)COCC2)N1CCC(c2nnn[n-]2)CC1 ZINC001471336222 1009818303 /nfs/dbraw/zinc/81/83/03/1009818303.db2.gz QEVNPSBVRMAURO-UHFFFAOYSA-N -1 0 303.326 -0.054 20 0 DBADRM COCCn1cc(C(=O)N2CCC(c3nnn[n-]3)CC2)nn1 ZINC001471337119 1009818441 /nfs/dbraw/zinc/81/84/41/1009818441.db2.gz WEGAQQFNNUOTKG-UHFFFAOYSA-N -1 0 306.330 -0.543 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001471459318 1009824285 /nfs/dbraw/zinc/82/42/85/1009824285.db2.gz COHSFOYYVDZTSW-SNVBAGLBSA-N -1 0 315.399 -0.024 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cn1 ZINC001471461357 1009824299 /nfs/dbraw/zinc/82/42/99/1009824299.db2.gz VWKUMOCTWSQZDH-SSDOTTSWSA-N -1 0 303.282 -0.594 20 0 DBADRM COCCn1nc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)ccc1=O ZINC001471461382 1009824707 /nfs/dbraw/zinc/82/47/07/1009824707.db2.gz WRRCDBZHIBKODH-VIFPVBQESA-N -1 0 319.325 -0.968 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC001471483921 1009825985 /nfs/dbraw/zinc/82/59/85/1009825985.db2.gz ZVHOYCHJERRIGW-VIFPVBQESA-N -1 0 317.342 -0.584 20 0 DBADRM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCC(=O)[N-]OC)CC2 ZINC001471479856 1009826898 /nfs/dbraw/zinc/82/68/98/1009826898.db2.gz DRSHHSYVAMAUTG-WDEREUQCSA-N -1 0 315.370 -0.375 20 0 DBADRM CC[C@@H](F)C(=O)NCC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001448616799 1009828145 /nfs/dbraw/zinc/82/81/45/1009828145.db2.gz ALKPRRHVZVAXLY-HTQZYQBOSA-N -1 0 317.321 -0.552 20 0 DBADRM CS(=O)(=O)[C@H]1CCCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001448630630 1009831516 /nfs/dbraw/zinc/83/15/16/1009831516.db2.gz OVVOZAHOIRZGEV-QMMMGPOBSA-N -1 0 318.355 -0.885 20 0 DBADRM COC(=O)c1ccc(CC(=O)NCCc2nc(=O)o[n-]2)cn1 ZINC001448632660 1009832430 /nfs/dbraw/zinc/83/24/30/1009832430.db2.gz WPMDLNAMVOIOEI-UHFFFAOYSA-N -1 0 306.278 -0.554 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1Cc2cccnc2NC1=O ZINC001471655609 1009837092 /nfs/dbraw/zinc/83/70/92/1009837092.db2.gz ICWPJOGRWSFVDO-ZETCQYMHSA-N -1 0 320.334 -0.323 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CCN(CC(F)(F)F)C1)c1nnn[n-]1 ZINC001471845200 1009848532 /nfs/dbraw/zinc/84/85/32/1009848532.db2.gz HBEWZLPMGVAOQJ-YUMQZZPRSA-N -1 0 322.291 -0.112 20 0 DBADRM COC[C@@H](NC(=O)CSc1cccc[n+]1[O-])c1nnn[n-]1 ZINC001471846822 1009848839 /nfs/dbraw/zinc/84/88/39/1009848839.db2.gz YGBZZYPVJTVWOZ-MRVPVSSYSA-N -1 0 310.339 -0.571 20 0 DBADRM CCCOc1ccnc(CC(=O)N[C@@H](COC)c2nnn[n-]2)n1 ZINC001471845094 1009849025 /nfs/dbraw/zinc/84/90/25/1009849025.db2.gz DANPXJWCHJBUBD-VIFPVBQESA-N -1 0 321.341 -0.175 20 0 DBADRM COC[C@@H](NC(=O)COc1ccccc1C=O)c1nnn[n-]1 ZINC001471843127 1009849217 /nfs/dbraw/zinc/84/92/17/1009849217.db2.gz ALYOAHQTAFIFRV-SNVBAGLBSA-N -1 0 305.294 -0.105 20 0 DBADRM C[C@@H]1CO[C@@H](C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)C1 ZINC001472128173 1009867202 /nfs/dbraw/zinc/86/72/02/1009867202.db2.gz AKQBSJDUKNHDHN-WDEREUQCSA-N -1 0 321.381 -0.030 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCSc1ncnc2[nH]cnc21 ZINC001472185740 1009872016 /nfs/dbraw/zinc/87/20/16/1009872016.db2.gz NQGAIUPMQWUPPY-UHFFFAOYSA-N -1 0 310.339 -0.371 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H](CO)C(F)(F)F ZINC001472230862 1009875233 /nfs/dbraw/zinc/87/52/33/1009875233.db2.gz CKRDERLESQCURS-ZCFIWIBFSA-N -1 0 305.216 -0.889 20 0 DBADRM CCCNC(=O)[C@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001472244207 1009875530 /nfs/dbraw/zinc/87/55/30/1009875530.db2.gz RQUTVTQAMOSLIE-VIFPVBQESA-N -1 0 317.353 -0.281 20 0 DBADRM CCC[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(=O)OC ZINC001472311210 1009880302 /nfs/dbraw/zinc/88/03/02/1009880302.db2.gz YBGHUXDJWJZTGO-QMMMGPOBSA-N -1 0 300.315 -0.073 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001472579323 1009890638 /nfs/dbraw/zinc/89/06/38/1009890638.db2.gz JRVMBFNZCIXKMX-LJUQJJLCSA-N -1 0 309.278 -0.546 20 0 DBADRM C[C@H](O)[C@H](NC(=O)c1n[nH]c(=O)[n-]1)C(=O)OCc1ccccc1 ZINC001472568771 1009891058 /nfs/dbraw/zinc/89/10/58/1009891058.db2.gz FPLSDFXNGYEKER-WPRPVWTQSA-N -1 0 320.305 -0.267 20 0 DBADRM Cc1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n(C)n1 ZINC001472940223 1009898758 /nfs/dbraw/zinc/89/87/58/1009898758.db2.gz NUWRYGZXKLUTIP-UHFFFAOYSA-N -1 0 305.342 -0.490 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1sccc1F ZINC001448832623 1009932218 /nfs/dbraw/zinc/93/22/18/1009932218.db2.gz MLEXLALSJZDYHW-ZCFIWIBFSA-N -1 0 315.330 -0.409 20 0 DBADRM Cc1nc(CN[C@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])co1 ZINC001448847713 1009967722 /nfs/dbraw/zinc/96/77/22/1009967722.db2.gz YJRHVFJRUFMLAU-VIFPVBQESA-N -1 0 309.326 -0.399 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H]1CCC(=O)N(C)C1 ZINC001474986976 1009988285 /nfs/dbraw/zinc/98/82/85/1009988285.db2.gz PCYNFEBKYSMQPB-QMMMGPOBSA-N -1 0 316.335 -0.035 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CCOCCO ZINC001475004302 1009992226 /nfs/dbraw/zinc/99/22/26/1009992226.db2.gz FETHWUAHIOVYDG-QGZVFWFLSA-N -1 0 302.418 -0.274 20 0 DBADRM NC(=O)N[C@H]1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC001475160198 1010001034 /nfs/dbraw/zinc/00/10/34/1010001034.db2.gz RNBHGWXJNVUHNJ-QMMMGPOBSA-N -1 0 303.315 -0.037 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)CC1(CC(=O)OC)CC1 ZINC001475140755 1010003000 /nfs/dbraw/zinc/00/30/00/1010003000.db2.gz QTYWSDDQEJWVKY-SECBINFHSA-N -1 0 323.367 -0.827 20 0 DBADRM C[S@@](=O)(=NS(=O)(=O)[N-][C@H]1CNC(=O)C1)c1ccccc1 ZINC001475171345 1010006517 /nfs/dbraw/zinc/00/65/17/1010006517.db2.gz FZUXCVYMBWMEBC-HOGDKLEQSA-N -1 0 317.392 -0.134 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001475348971 1010017545 /nfs/dbraw/zinc/01/75/45/1010017545.db2.gz FQXOBGHCNZHRTA-ZETCQYMHSA-N -1 0 323.400 -0.338 20 0 DBADRM C[C@H]1CC[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)CS1(=O)=O ZINC001475470071 1010030151 /nfs/dbraw/zinc/03/01/51/1010030151.db2.gz JUEGAANOHDXCFS-YUMQZZPRSA-N -1 0 318.442 -0.486 20 0 DBADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001448894057 1010030612 /nfs/dbraw/zinc/03/06/12/1010030612.db2.gz KAUXINKFWIQTQW-IVZWLZJFSA-N -1 0 311.386 -0.241 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCCn2cncn2)n[nH]1 ZINC001475545543 1010036228 /nfs/dbraw/zinc/03/62/28/1010036228.db2.gz JUPFNMPLWWDSIQ-UHFFFAOYSA-N -1 0 314.327 -0.844 20 0 DBADRM CCO[C@H](CS(=O)(=O)[N-][C@H](C(=O)OC)[C@@H](C)O)C1CC1 ZINC001475668729 1010046954 /nfs/dbraw/zinc/04/69/54/1010046954.db2.gz GAVRGHSYQJGQFE-IEBDPFPHSA-N -1 0 309.384 -0.357 20 0 DBADRM CC(C)n1nnc([N-]S(=O)(=O)C2CCS(=O)(=O)CC2)n1 ZINC001475703430 1010050251 /nfs/dbraw/zinc/05/02/51/1010050251.db2.gz OFJPSIZWLYNDBF-UHFFFAOYSA-N -1 0 323.400 -0.427 20 0 DBADRM CC[C@@](COC)(NS(=O)(=O)CC1(N(C)C)CC1)C(=O)[O-] ZINC001595200083 1017080643 /nfs/dbraw/zinc/08/06/43/1017080643.db2.gz TWVPNJRAYYRUAG-LBPRGKRZSA-N -1 0 308.400 -0.120 20 0 DBADRM CC[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)C(=O)N1CCOCC1 ZINC001595236368 1017081021 /nfs/dbraw/zinc/08/10/21/1017081021.db2.gz DZCZJANHJZVCAW-ISAOAKOHSA-N -1 0 310.350 -0.005 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cc(C(=O)OC)cs1 ZINC001475745667 1010056064 /nfs/dbraw/zinc/05/60/64/1010056064.db2.gz QLQLBAVUEOSUIK-UHFFFAOYSA-N -1 0 308.337 -0.509 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC001475744519 1010056331 /nfs/dbraw/zinc/05/63/31/1010056331.db2.gz BSHQQDXYPJQEET-NSHDSACASA-N -1 0 310.372 -0.833 20 0 DBADRM CC[C@@H](NC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)C1CC1 ZINC001595228119 1017081096 /nfs/dbraw/zinc/08/10/96/1017081096.db2.gz CEROJWXFATZICQ-NEPJUHHUSA-N -1 0 312.366 -0.025 20 0 DBADRM CC[C@H](Cc1cn(CC(=O)N2CCN(C)CC2)nn1)C(=O)[O-] ZINC001595220048 1017081198 /nfs/dbraw/zinc/08/11/98/1017081198.db2.gz TXWTYIZXEMPJNS-LLVKDONJSA-N -1 0 309.370 -0.295 20 0 DBADRM CCCNC(=O)[C@@H](C)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001475759032 1010057624 /nfs/dbraw/zinc/05/76/24/1010057624.db2.gz HYQFRLLDMWPIJB-SECBINFHSA-N -1 0 311.429 -0.003 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](O)C[N-]S(=O)(=O)N=S(C)(C)=O ZINC001475784632 1010058104 /nfs/dbraw/zinc/05/81/04/1010058104.db2.gz OHNBLOWCKUDUOV-VIFPVBQESA-N -1 0 324.428 -0.368 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(c2cccnn2)CC1 ZINC001476594034 1010073030 /nfs/dbraw/zinc/07/30/30/1010073030.db2.gz CBYRIGNNSSDUAI-UHFFFAOYSA-N -1 0 303.330 -0.741 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](C1CC1)C1(CO)CCOCC1 ZINC001476594866 1010073095 /nfs/dbraw/zinc/07/30/95/1010073095.db2.gz FWBBIVRTONPVLL-LLVKDONJSA-N -1 0 324.385 -0.196 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 ZINC001476595029 1010073171 /nfs/dbraw/zinc/07/31/71/1010073171.db2.gz KHJCVGAJILIHHL-SECBINFHSA-N -1 0 316.387 -0.454 20 0 DBADRM CCC1(Nc2ccnc(C(=O)[O-])n2)CCN(C(=O)C(N)=O)CC1 ZINC001595392330 1017083219 /nfs/dbraw/zinc/08/32/19/1017083219.db2.gz UJYJPMAUAPOADD-UHFFFAOYSA-N -1 0 321.337 -0.735 20 0 DBADRM CCC1(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])COC1 ZINC001595365157 1017083657 /nfs/dbraw/zinc/08/36/57/1017083657.db2.gz KYPDVSWYJRJSJK-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM CC[C@@]1(C(=O)O[C@H](C)c2cn(CC(=O)[O-])nn2)CCNC1=O ZINC001595368331 1017083696 /nfs/dbraw/zinc/08/36/96/1017083696.db2.gz GSAOUJKMZUQBSO-AMIZOPFISA-N -1 0 310.310 -0.117 20 0 DBADRM CC[C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001595379433 1017083809 /nfs/dbraw/zinc/08/38/09/1017083809.db2.gz DKUIZSLWHQGJAS-ABAIWWIYSA-N -1 0 312.366 -0.069 20 0 DBADRM CC[C@H](OC)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001595355217 1017083909 /nfs/dbraw/zinc/08/39/09/1017083909.db2.gz RRBJIKWZWKTAQQ-BBBLOLIVSA-N -1 0 324.337 -0.735 20 0 DBADRM CC[C@H](OC)C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O ZINC001595355290 1017084134 /nfs/dbraw/zinc/08/41/34/1017084134.db2.gz UGTYXORRGCLNSW-VWYCJHECSA-N -1 0 324.337 -0.735 20 0 DBADRM CC[C@@]1(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCNC1=O ZINC001595365394 1017084999 /nfs/dbraw/zinc/08/49/99/1017084999.db2.gz SFODMWDKUGNOCJ-YMTOWFKASA-N -1 0 321.337 -0.334 20 0 DBADRM CC[C@@H]1CN([C@@H](C)C(=O)NCC(=O)[O-])C[C@@]2(CCOC2)O1 ZINC001595482511 1017086297 /nfs/dbraw/zinc/08/62/97/1017086297.db2.gz DWVCVJPUKKXRKL-MISXGVKJSA-N -1 0 300.355 -0.154 20 0 DBADRM CC[C@H]1CN(CC(=O)NCCC(=O)[O-])C[C@H](C)S1(=O)=O ZINC001595481720 1017086411 /nfs/dbraw/zinc/08/64/11/1017086411.db2.gz ARISXAVSYKWBHD-UWVGGRQHSA-N -1 0 306.384 -0.525 20 0 DBADRM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001595405007 1017086440 /nfs/dbraw/zinc/08/64/40/1017086440.db2.gz OAKOPZNKQBDWRO-VIFPVBQESA-N -1 0 315.351 -0.378 20 0 DBADRM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001595405027 1017087542 /nfs/dbraw/zinc/08/75/42/1017087542.db2.gz OHDYQOUNLKOWMA-SNVBAGLBSA-N -1 0 313.335 -0.321 20 0 DBADRM CC[C@@H]1C(=O)N(CC)CCN1CCc1cn(CC(=O)[O-])nn1 ZINC001595400850 1017087560 /nfs/dbraw/zinc/08/75/60/1017087560.db2.gz CSVFWERTOKEEPY-GFCCVEGCSA-N -1 0 309.370 -0.152 20 0 DBADRM CCC(=O)N(CC)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001496892891 1017087509 /nfs/dbraw/zinc/08/75/09/1017087509.db2.gz YDKIDVKSFVCXSK-UHFFFAOYSA-N -1 0 320.353 -0.554 20 0 DBADRM CC[C@@H]1[C@@H](CO)CCN1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001595407382 1017087662 /nfs/dbraw/zinc/08/76/62/1017087662.db2.gz HYAQFOCNTFHFHQ-GHMZBOCLSA-N -1 0 315.370 -0.230 20 0 DBADRM CC[C@@H]1CN(CN2C[C@@H](C(=O)[O-])OC2=O)C[C@H](C)S1(=O)=O ZINC001595487061 1017087802 /nfs/dbraw/zinc/08/78/02/1017087802.db2.gz HJCYSKJKTAPXGO-AEJSXWLSSA-N -1 0 320.367 -0.253 20 0 DBADRM CC[C@@](COC)(NC(=O)c1cn(CCOC)nn1)C(=O)[O-] ZINC001595195212 1017080242 /nfs/dbraw/zinc/08/02/42/1017080242.db2.gz WTLATNFCDJOUAI-LBPRGKRZSA-N -1 0 300.315 -0.466 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@H]1CC12CCC2 ZINC001449080493 1010209167 /nfs/dbraw/zinc/20/91/67/1010209167.db2.gz DRKAVSBVECLZGC-SECBINFHSA-N -1 0 323.353 -0.546 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001479237005 1010210622 /nfs/dbraw/zinc/21/06/22/1010210622.db2.gz CZTWNZCSVZHYOZ-BDAKNGLRSA-N -1 0 310.358 -0.946 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001479237008 1010211492 /nfs/dbraw/zinc/21/14/92/1010211492.db2.gz CZTWNZCSVZHYOZ-IUCAKERBSA-N -1 0 310.358 -0.946 20 0 DBADRM Cc1conc1CNC[C@@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001449106918 1010255216 /nfs/dbraw/zinc/25/52/16/1010255216.db2.gz DSDGZNQVSHBEJX-SNVBAGLBSA-N -1 0 323.353 -0.057 20 0 DBADRM CN(CCNC(=O)C1(C)CCC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001449110460 1010257017 /nfs/dbraw/zinc/25/70/17/1010257017.db2.gz QGTYUNMXGWXNGX-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM CN(CCNC(=O)c1cc[n+]([O-])cc1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598492037 1017284308 /nfs/dbraw/zinc/28/43/08/1017284308.db2.gz CKRUDSCIUAEOQV-WDEREUQCSA-N -1 0 307.306 -0.771 20 0 DBADRM CN(CCNC(=O)CCc1ncccn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598491253 1017284921 /nfs/dbraw/zinc/28/49/21/1017284921.db2.gz VESPURFAFZALCH-MNOVXSKESA-N -1 0 320.349 -0.296 20 0 DBADRM CN(CCNC(=O)CCc1ncccn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598491251 1017285047 /nfs/dbraw/zinc/28/50/47/1017285047.db2.gz VESPURFAFZALCH-GHMZBOCLSA-N -1 0 320.349 -0.296 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001598539926 1017296697 /nfs/dbraw/zinc/29/66/97/1017296697.db2.gz HRLVEYXKFZZYQS-VXGBXAGGSA-N -1 0 315.347 -0.094 20 0 DBADRM CN(CCNC(=O)CO[C@@H]1CCOC1)c1ncc(C(=O)[O-])cn1 ZINC001598490550 1017285434 /nfs/dbraw/zinc/28/54/34/1017285434.db2.gz MALQASZNCPUCBO-LLVKDONJSA-N -1 0 324.337 -0.467 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1nnc2n1CCCC2 ZINC001598491516 1017285886 /nfs/dbraw/zinc/28/58/86/1017285886.db2.gz ORYWMWDCWIKEIU-QWRGUYRKSA-N -1 0 321.381 -0.117 20 0 DBADRM CN(CCNC(=O)CCc1cncn1C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598490488 1017286017 /nfs/dbraw/zinc/28/60/17/1017286017.db2.gz KVOQDUFNMYDWLZ-VXGBXAGGSA-N -1 0 322.365 -0.352 20 0 DBADRM CN(CCNC(=O)c1cn(C)cn1)c1ccnc(C(=O)[O-])n1 ZINC001598492800 1017288026 /nfs/dbraw/zinc/28/80/26/1017288026.db2.gz KURUVRZYWTVQKK-UHFFFAOYSA-N -1 0 304.310 -0.226 20 0 DBADRM CC[C@@H](F)C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001449131038 1010292528 /nfs/dbraw/zinc/29/25/28/1010292528.db2.gz RHZJLFIVHFMLMK-ZCFIWIBFSA-N -1 0 301.278 -0.781 20 0 DBADRM CC[C@H](F)C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001449131035 1010293650 /nfs/dbraw/zinc/29/36/50/1010293650.db2.gz RHZJLFIVHFMLMK-LURJTMIESA-N -1 0 301.278 -0.781 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1cn(CC(N)=O)nn1 ZINC001598515994 1017296870 /nfs/dbraw/zinc/29/68/70/1017296870.db2.gz XAUXRTHKWNVTKJ-UHFFFAOYSA-N -1 0 318.293 -0.871 20 0 DBADRM CN(CCNc1ncnc2c1cnn2C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598495861 1017290833 /nfs/dbraw/zinc/29/08/33/1017290833.db2.gz PLUMZDRXCXNYEU-IUCAKERBSA-N -1 0 318.337 -0.046 20 0 DBADRM CN(CCNCc1nnc2n1CCCC2)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598496022 1017291157 /nfs/dbraw/zinc/29/11/57/1017291157.db2.gz VTSXQKSIPYTHMM-QWRGUYRKSA-N -1 0 321.381 -0.117 20 0 DBADRM CN(CCO)CCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001598496341 1017291570 /nfs/dbraw/zinc/29/15/70/1017291570.db2.gz AXEIJXUWEPFVGQ-UHFFFAOYSA-N -1 0 320.342 -0.274 20 0 DBADRM CN(Cc1cccc(=O)[nH]1)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001598524531 1017296914 /nfs/dbraw/zinc/29/69/14/1017296914.db2.gz HQOKPXXQMBTISM-SECBINFHSA-N -1 0 307.306 -0.321 20 0 DBADRM CN(Cc1cn(C)nn1)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001598532664 1017296923 /nfs/dbraw/zinc/29/69/23/1017296923.db2.gz BFTNCKKOAOIZFD-UHFFFAOYSA-N -1 0 305.294 -0.666 20 0 DBADRM CN(C[C@@H]1CCCO1)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001598503283 1017292872 /nfs/dbraw/zinc/29/28/72/1017292872.db2.gz IVHBIXWYOCKYPJ-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM CN(CCOCCNC(=O)c1cc[nH]c1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598497545 1017293736 /nfs/dbraw/zinc/29/37/36/1017293736.db2.gz HSECUZRIXRYMSG-VXGBXAGGSA-N -1 0 323.349 -0.060 20 0 DBADRM CN(C[C@H](O)CO)C(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001598503663 1017293794 /nfs/dbraw/zinc/29/37/94/1017293794.db2.gz UVQQITRVPUPPTO-LURJTMIESA-N -1 0 302.308 -0.804 20 0 DBADRM CN(CCOCCO)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001598497663 1017294009 /nfs/dbraw/zinc/29/40/09/1017294009.db2.gz BLOPBHTTXVGYMJ-UHFFFAOYSA-N -1 0 304.324 -0.591 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cc2c(ncnc2N(C)C)n1C ZINC001598521712 1017294880 /nfs/dbraw/zinc/29/48/80/1017294880.db2.gz XRHUAEKVUBXSEE-UHFFFAOYSA-N -1 0 306.326 -0.558 20 0 DBADRM CN(Cc1ccc(O)cc1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001598519352 1017295236 /nfs/dbraw/zinc/29/52/36/1017295236.db2.gz UKQMGMSKDLQBBH-GFCCVEGCSA-N -1 0 322.317 -0.337 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001598521602 1017295793 /nfs/dbraw/zinc/29/57/93/1017295793.db2.gz WKCPFIDRPYNWEF-RITPCOANSA-N -1 0 318.273 -0.997 20 0 DBADRM CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598542974 1017296049 /nfs/dbraw/zinc/29/60/49/1017296049.db2.gz LRMNENZYQALXHS-OTSSQURYSA-N -1 0 313.335 -0.336 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001598521600 1017296257 /nfs/dbraw/zinc/29/62/57/1017296257.db2.gz WKCPFIDRPYNWEF-PHDIDXHHSA-N -1 0 318.273 -0.997 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598540072 1017296366 /nfs/dbraw/zinc/29/63/66/1017296366.db2.gz LSNXOUACYRTOEP-ZDCRXTMVSA-N -1 0 307.368 -0.349 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001598540120 1017296497 /nfs/dbraw/zinc/29/64/97/1017296497.db2.gz NFRMVLKLTJHJQG-RKDXNWHRSA-N -1 0 319.310 -0.096 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001598533885 1017296503 /nfs/dbraw/zinc/29/65/03/1017296503.db2.gz JPOMMWDXEVRJJV-UHFFFAOYSA-N -1 0 311.342 -0.458 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cn1)Cc1cc(=O)n(C)c(=O)n1C ZINC001598515380 1017296608 /nfs/dbraw/zinc/29/66/08/1017296608.db2.gz HJYGEUVGXRKBDZ-UHFFFAOYSA-N -1 0 318.333 -0.191 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)c1ccoc1 ZINC001449180879 1010342342 /nfs/dbraw/zinc/34/23/42/1010342342.db2.gz BEFNURZVRLJBGH-SNVBAGLBSA-N -1 0 309.326 -0.332 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)on1 ZINC001449190229 1010356271 /nfs/dbraw/zinc/35/62/71/1010356271.db2.gz OFBALQRTZQVDOX-VIFPVBQESA-N -1 0 324.341 -0.628 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2n[nH]cc2F)c1[O-] ZINC001449191351 1010358911 /nfs/dbraw/zinc/35/89/11/1010358911.db2.gz CGSASURBLQLZIC-UHFFFAOYSA-N -1 0 310.289 -0.212 20 0 DBADRM Cc1n[nH]cc1C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001449210358 1010379915 /nfs/dbraw/zinc/37/99/15/1010379915.db2.gz HVWXBHPXSIXLSO-SECBINFHSA-N -1 0 323.357 -0.893 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001479904443 1010436508 /nfs/dbraw/zinc/43/65/08/1010436508.db2.gz KDBZGIJQQWRDNW-VHSXEESVSA-N -1 0 324.385 -0.494 20 0 DBADRM COCCN(CCNC(=O)c1[nH]nc(C)c1[O-])Cc1cnon1 ZINC001449327810 1010437270 /nfs/dbraw/zinc/43/72/70/1010437270.db2.gz KPRXSBOMFYSWNC-UHFFFAOYSA-N -1 0 324.341 -0.315 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)NC(=O)C(C)(F)F ZINC001449560829 1010510267 /nfs/dbraw/zinc/51/02/67/1010510267.db2.gz OYYNFSBOTLDMNF-UHNVWZDZSA-N -1 0 319.268 -0.439 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](NCc1ccon1)C1CC1 ZINC001480062548 1010522940 /nfs/dbraw/zinc/52/29/40/1010522940.db2.gz KNALZUVZQHSZDL-SNVBAGLBSA-N -1 0 322.325 -0.638 20 0 DBADRM CCCC(=O)N1CCC(CO)(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001595521746 1017089801 /nfs/dbraw/zinc/08/98/01/1017089801.db2.gz ABTDJUWLUSIPRK-QWRGUYRKSA-N -1 0 312.366 -0.023 20 0 DBADRM CCC[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccccn1)S(N)(=O)=O ZINC001595535833 1017089906 /nfs/dbraw/zinc/08/99/06/1017089906.db2.gz ICQKNXOIQWFQMP-NXEZZACHSA-N -1 0 315.351 -0.219 20 0 DBADRM CCCC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001595521744 1017090206 /nfs/dbraw/zinc/09/02/06/1017090206.db2.gz ABTDJUWLUSIPRK-GHMZBOCLSA-N -1 0 312.366 -0.023 20 0 DBADRM CCC[C@H](C(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-])S(N)(=O)=O ZINC001595532945 1017090344 /nfs/dbraw/zinc/09/03/44/1017090344.db2.gz PXYALUKCFVYHGZ-KBVBSXBZSA-N -1 0 322.383 -0.466 20 0 DBADRM CCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])CCO2 ZINC001595522032 1017090432 /nfs/dbraw/zinc/09/04/32/1017090432.db2.gz JJCGYNXCYQPMED-WDEREUQCSA-N -1 0 310.350 -0.053 20 0 DBADRM CC[C@H]1CN(Cn2cc(C(=O)[O-])nn2)C[C@H](C)S1(=O)=O ZINC001595491095 1017090582 /nfs/dbraw/zinc/09/05/82/1017090582.db2.gz LULGQITYPZLYER-IUCAKERBSA-N -1 0 302.356 -0.169 20 0 DBADRM CC[C@@H]1COCCN1CCNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001595501182 1017090846 /nfs/dbraw/zinc/09/08/46/1017090846.db2.gz XHJGVFAQSBIMPT-GFCCVEGCSA-N -1 0 310.354 -0.192 20 0 DBADRM CCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])CCO2 ZINC001595522031 1017090906 /nfs/dbraw/zinc/09/09/06/1017090906.db2.gz JJCGYNXCYQPMED-QWRGUYRKSA-N -1 0 310.350 -0.053 20 0 DBADRM CCC[C@](C)(CO)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001595541512 1017092612 /nfs/dbraw/zinc/09/26/12/1017092612.db2.gz LCDHOFXCSGNDGA-MWODSPESSA-N -1 0 303.359 -0.186 20 0 DBADRM CCC[C@H](C)N1C[C@H](C(=O)N[C@@](C)(CO)C(=O)[O-])CC1=O ZINC001595579109 1017092795 /nfs/dbraw/zinc/09/27/95/1017092795.db2.gz QYUDEZSLZIFCOD-RBZYPMLTSA-N -1 0 300.355 -0.025 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001595537516 1017093007 /nfs/dbraw/zinc/09/30/07/1017093007.db2.gz LRDDDNAXDFGXDD-OPRDCNLKSA-N -1 0 323.367 -0.432 20 0 DBADRM CCC[C@@H](C(=O)NCc1ncc(C(=O)[O-])s1)S(N)(=O)=O ZINC001595536174 1017093055 /nfs/dbraw/zinc/09/30/55/1017093055.db2.gz QTTYKWYZYBCCPQ-ZETCQYMHSA-N -1 0 321.380 -0.085 20 0 DBADRM CCC[C@]1(CO)CCCN1C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001595616885 1017093835 /nfs/dbraw/zinc/09/38/35/1017093835.db2.gz HTZHFAFKBNGYJL-TVQRCGJNSA-N -1 0 304.318 -0.321 20 0 DBADRM CCCCC(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001595626910 1017095005 /nfs/dbraw/zinc/09/50/05/1017095005.db2.gz GZELPXZZRRNWBV-IUCAKERBSA-N -1 0 304.368 -0.360 20 0 DBADRM CCC[C@H]1C(=O)NCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001595619724 1017095189 /nfs/dbraw/zinc/09/51/89/1017095189.db2.gz MRYGOPWDUMROIE-QMMMGPOBSA-N -1 0 316.339 -0.603 20 0 DBADRM CCCCC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C(=O)[O-] ZINC001595672636 1017095261 /nfs/dbraw/zinc/09/52/61/1017095261.db2.gz OMDBIJKXNWMANQ-VIFPVBQESA-N -1 0 309.388 -0.468 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001595637468 1017095423 /nfs/dbraw/zinc/09/54/23/1017095423.db2.gz HZXGOZJOGPWBPD-UTLUCORTSA-N -1 0 301.343 -0.086 20 0 DBADRM CCCC[C@@H](OC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)[O-] ZINC001595651340 1017095496 /nfs/dbraw/zinc/09/54/96/1017095496.db2.gz SKIUGGUONKOCHD-SSDOTTSWSA-N -1 0 300.267 -0.406 20 0 DBADRM CCCC1(CNC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001595617606 1017095868 /nfs/dbraw/zinc/09/58/68/1017095868.db2.gz SBBJENNPKUMVBF-QWRGUYRKSA-N -1 0 312.366 -0.023 20 0 DBADRM CCCCOCCNC(=O)CN1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001595771721 1017097547 /nfs/dbraw/zinc/09/75/47/1017097547.db2.gz IPBJYRICCZADRC-DGCLKSJQSA-N -1 0 302.371 -0.171 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598550391 1017298345 /nfs/dbraw/zinc/29/83/45/1017298345.db2.gz CFMUTBFBRPGEPC-KOLCDFICSA-N -1 0 321.337 -0.239 20 0 DBADRM CN1c2ccccc2C[C@H](NC(=O)NCCOCC(=O)[O-])C1=O ZINC001598548488 1017298370 /nfs/dbraw/zinc/29/83/70/1017298370.db2.gz BYTOJHSXDXENDH-NSHDSACASA-N -1 0 321.333 -0.026 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001598548865 1017298609 /nfs/dbraw/zinc/29/86/09/1017298609.db2.gz WXLIQFLXYQEGTA-DTWKUNHWSA-N -1 0 300.311 -0.670 20 0 DBADRM CN1C(=O)CN(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1=O ZINC001598550897 1017298907 /nfs/dbraw/zinc/29/89/07/1017298907.db2.gz DPZRMDKKFQNTQM-HOTUBEGUSA-N -1 0 309.322 -0.408 20 0 DBADRM CN1C(=O)CC[C@H](N2C(=O)[C@H]3CC[C@H](C(=O)[O-])CN3C2=O)C1=O ZINC001598549323 1017299146 /nfs/dbraw/zinc/29/91/46/1017299146.db2.gz ONZSNYLYIIOQFA-YIZRAAEISA-N -1 0 323.305 -0.739 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)NCCCNc1ccnc(C(=O)[O-])n1 ZINC001598550405 1017299266 /nfs/dbraw/zinc/29/92/66/1017299266.db2.gz CZHPGMNUEOZZNT-SECBINFHSA-N -1 0 321.337 -0.864 20 0 DBADRM CN1C[C@H](NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CCC1=O ZINC001598568421 1017309698 /nfs/dbraw/zinc/30/96/98/1017309698.db2.gz RIFFVLUVGIBZBJ-YMTOWFKASA-N -1 0 324.337 -0.378 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001450033063 1010618490 /nfs/dbraw/zinc/61/84/90/1010618490.db2.gz DVXUQCTZESWRCT-HRDYMLBCSA-N -1 0 311.342 -0.692 20 0 DBADRM CN1C(=O)COc2ccc(C(=O)N3CC[C@](O)(C(=O)[O-])C3)cc21 ZINC001598553491 1017301317 /nfs/dbraw/zinc/30/13/17/1017301317.db2.gz QPUKJBJKGWGYBC-OAHLLOKOSA-N -1 0 320.301 -0.297 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001598553724 1017301666 /nfs/dbraw/zinc/30/16/66/1017301666.db2.gz NXDBQWMIOSGRBR-MDZLAQPJSA-N -1 0 324.308 -0.093 20 0 DBADRM CN1C[C@H](C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)NCC1=O ZINC001598558291 1017301769 /nfs/dbraw/zinc/30/17/69/1017301769.db2.gz BALAQZWFGHXWDJ-CYBMUJFWSA-N -1 0 317.345 -0.300 20 0 DBADRM CN1C(=O)CN(NC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)C1=O ZINC001598553074 1017301808 /nfs/dbraw/zinc/30/18/08/1017301808.db2.gz QWQTXSDYZZQGOM-UHFFFAOYSA-N -1 0 324.297 -0.367 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1=O ZINC001598559595 1017302726 /nfs/dbraw/zinc/30/27/26/1017302726.db2.gz XODOZWJGTRJVPP-IUCAKERBSA-N -1 0 315.301 -0.316 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)NCC1=O ZINC001598559331 1017303257 /nfs/dbraw/zinc/30/32/57/1017303257.db2.gz ICUWNVZHGJKCJK-NEPJUHHUSA-N -1 0 311.382 -0.186 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)/C=C\[C@H]2COC(C)(C)O2)CC1=O ZINC001598561591 1017303347 /nfs/dbraw/zinc/30/33/47/1017303347.db2.gz DYVVMMNMARVGET-NDVXOHMPSA-N -1 0 312.322 -0.552 20 0 DBADRM CN1C[C@H](C(=O)N(CCC(=O)[O-])Cc2ccncc2)NC1=O ZINC001598560593 1017303538 /nfs/dbraw/zinc/30/35/38/1017303538.db2.gz TUVWJBVXUSRTLA-LLVKDONJSA-N -1 0 306.322 -0.092 20 0 DBADRM CN1C[C@@H](C(=O)NCCc2ccccc2C(=O)[O-])NCC1=O ZINC001598560220 1017303661 /nfs/dbraw/zinc/30/36/61/1017303661.db2.gz OUAUQJHDFCYTLP-LBPRGKRZSA-N -1 0 305.334 -0.526 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1=O ZINC001598559981 1017303718 /nfs/dbraw/zinc/30/37/18/1017303718.db2.gz IAZDPSSIJIRTTK-JTQLQIEISA-N -1 0 309.322 -0.050 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cnc3[nH]ccc3c2)CC1=O ZINC001598561445 1017303765 /nfs/dbraw/zinc/30/37/65/1017303765.db2.gz AMKCNIFSBIUBTC-SNVBAGLBSA-N -1 0 302.290 -0.118 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)/C=C/[C@H]2COC(C)(C)O2)CC1=O ZINC001598561590 1017304083 /nfs/dbraw/zinc/30/40/83/1017304083.db2.gz DYVVMMNMARVGET-AWAZDUCLSA-N -1 0 312.322 -0.552 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C1=O ZINC001598560756 1017304151 /nfs/dbraw/zinc/30/41/51/1017304151.db2.gz RSQCILRUTLTZIA-GZMMTYOYSA-N -1 0 313.310 -0.981 20 0 DBADRM CCCN(CCNC(=O)C(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001497185851 1017304479 /nfs/dbraw/zinc/30/44/79/1017304479.db2.gz WQLINNJUKGMDKV-UHFFFAOYSA-N -1 0 319.268 -0.484 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)c2cncc(C(=O)[O-])c2)CCC1=O ZINC001598569811 1017309916 /nfs/dbraw/zinc/30/99/16/1017309916.db2.gz MNQPMKQVOPCYED-VIFPVBQESA-N -1 0 313.335 -0.321 20 0 DBADRM COCC[C@@H]1COCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001450159020 1010651063 /nfs/dbraw/zinc/65/10/63/1010651063.db2.gz CPDGYXVEUKKQBG-SNVBAGLBSA-N -1 0 314.342 -0.267 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])CCC1=O ZINC001598568876 1017309385 /nfs/dbraw/zinc/30/93/85/1017309385.db2.gz XFUHZZJMBSBVMA-NXEZZACHSA-N -1 0 311.338 -0.811 20 0 DBADRM CN1C[C@@H](OC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)C[C@@H]1C(=O)[O-] ZINC001598568981 1017309522 /nfs/dbraw/zinc/30/95/22/1017309522.db2.gz GIQSZMQUENLEFU-OLSMOAAXSA-N -1 0 311.334 -0.071 20 0 DBADRM CC1(CCC(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001450450304 1010731024 /nfs/dbraw/zinc/73/10/24/1010731024.db2.gz WQEXBPQEEIGWCL-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM COCCn1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)c(=O)cc1C ZINC001450474175 1010737099 /nfs/dbraw/zinc/73/70/99/1010737099.db2.gz YPZIUYJYDJWAQX-UHFFFAOYSA-N -1 0 309.282 -0.810 20 0 DBADRM COCCOc1ccc(CNC(=O)CCCc2nnn[n-]2)nn1 ZINC001450519335 1010748821 /nfs/dbraw/zinc/74/88/21/1010748821.db2.gz BJHCYEVLSWHDHN-UHFFFAOYSA-N -1 0 321.341 -0.346 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC(CNC(=O)C2CC2)C1 ZINC001450527690 1010750276 /nfs/dbraw/zinc/75/02/76/1010750276.db2.gz OZDTWODJMVBWQI-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM CNC(=O)[C@H](CCSC)NC(=O)c1c[n-]n2c1nccc2=O ZINC001450647123 1010779171 /nfs/dbraw/zinc/77/91/71/1010779171.db2.gz MOVMZMUVNWFMRP-VIFPVBQESA-N -1 0 323.378 -0.380 20 0 DBADRM CN(CCNC(=O)CCCn1cccn1)Cc1n[nH]c(=O)[n-]1 ZINC001480948524 1010812909 /nfs/dbraw/zinc/81/29/09/1010812909.db2.gz KKOSFVXOHWBOKV-UHFFFAOYSA-N -1 0 307.358 -0.265 20 0 DBADRM CCN(CCNC(=O)Cc1nnc(C)[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001480974810 1010818692 /nfs/dbraw/zinc/81/86/92/1010818692.db2.gz XDDPCWWPDKRCFP-UHFFFAOYSA-N -1 0 308.346 -0.882 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001481025022 1010827997 /nfs/dbraw/zinc/82/79/97/1010827997.db2.gz VVTVJQHLIYHDAK-SCZZXKLOSA-N -1 0 310.358 -0.885 20 0 DBADRM CC(C)(C(N)=O)C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001481044541 1010832031 /nfs/dbraw/zinc/83/20/31/1010832031.db2.gz QXUDJORDFUORLA-QMMMGPOBSA-N -1 0 310.358 -0.898 20 0 DBADRM CC[C@@H](CNC(=O)Cn1cncn1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001451129264 1010855602 /nfs/dbraw/zinc/85/56/02/1010855602.db2.gz AFKQDTZNXOFBLV-VIFPVBQESA-N -1 0 321.341 -0.660 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)c2cccn2C)c1[O-] ZINC001451322773 1010889552 /nfs/dbraw/zinc/88/95/52/1010889552.db2.gz PHBOALPILJVLKR-SECBINFHSA-N -1 0 321.337 -0.717 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001481374893 1010894550 /nfs/dbraw/zinc/89/45/50/1010894550.db2.gz CQQJUAFHIKALEE-IEBDPFPHSA-N -1 0 322.369 -0.790 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)C2CC(C)C2)c1[O-] ZINC001451355364 1010906612 /nfs/dbraw/zinc/90/66/12/1010906612.db2.gz WPBWHYRYCIZLFT-GDRRJGKNSA-N -1 0 310.354 -0.323 20 0 DBADRM O=C(N[C@@H](CO)[C@H]1CCCOC1)c1c[n-]n2c1nccc2=O ZINC001451455725 1010956844 /nfs/dbraw/zinc/95/68/44/1010956844.db2.gz YZRWMLLCSVQCCT-ONGXEEELSA-N -1 0 306.322 -0.460 20 0 DBADRM O=C(N[C@@H](CO)[C@@H]1CCCOC1)c1c[n-]n2c1nccc2=O ZINC001451455722 1010957021 /nfs/dbraw/zinc/95/70/21/1010957021.db2.gz YZRWMLLCSVQCCT-KOLCDFICSA-N -1 0 306.322 -0.460 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)C1CC(C)C1 ZINC001451534766 1010986377 /nfs/dbraw/zinc/98/63/77/1010986377.db2.gz IYMRONCZIZUNAE-QJAFJHJLSA-N -1 0 323.353 -0.189 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)[C@H](O)C(C)C)c1[O-] ZINC001451544141 1010988578 /nfs/dbraw/zinc/98/85/78/1010988578.db2.gz DWEQGMCYLVONFD-GZMMTYOYSA-N -1 0 312.370 -0.077 20 0 DBADRM CCN(C(=O)[C@H](O)C(C)C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481766519 1010994089 /nfs/dbraw/zinc/99/40/89/1010994089.db2.gz LFYJVHINWXBGPG-ZYHUDNBSSA-N -1 0 311.386 -0.050 20 0 DBADRM CCN(C(=O)[C@H](C)CC(N)=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481772211 1010995924 /nfs/dbraw/zinc/99/59/24/1010995924.db2.gz UKAAIIGWOQKDMO-ZJUUUORDSA-N -1 0 324.385 -0.555 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001451624013 1011013793 /nfs/dbraw/zinc/01/37/93/1011013793.db2.gz ZGIPECNNBDLNFC-IONNQARKSA-N -1 0 309.326 -0.659 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@@H]1COCCO1)NC(=O)c1cn[nH]n1 ZINC001451901527 1011070385 /nfs/dbraw/zinc/07/03/85/1011070385.db2.gz OPQSREMDJNURAW-ONGXEEELSA-N -1 0 311.342 -0.909 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cc(CO)ccn1 ZINC001451921022 1011077664 /nfs/dbraw/zinc/07/76/64/1011077664.db2.gz FWVFOKUHLZALMQ-UHFFFAOYSA-N -1 0 300.278 -0.403 20 0 DBADRM CC(C)[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(F)F ZINC001452010765 1011096430 /nfs/dbraw/zinc/09/64/30/1011096430.db2.gz YRXINAIEDGTVGM-LURJTMIESA-N -1 0 321.284 -0.789 20 0 DBADRM CC(C)[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(F)F ZINC001452010771 1011096769 /nfs/dbraw/zinc/09/67/69/1011096769.db2.gz YRXINAIEDGTVGM-ZCFIWIBFSA-N -1 0 321.284 -0.789 20 0 DBADRM CCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001452238229 1011131494 /nfs/dbraw/zinc/13/14/94/1011131494.db2.gz PCVTVIYHYHCVCH-IUCAKERBSA-N -1 0 311.342 -0.500 20 0 DBADRM CC(=O)N1CC[C@H](C)[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001452310760 1011187554 /nfs/dbraw/zinc/18/75/54/1011187554.db2.gz ZCJDGFOHSZPTOF-WPRPVWTQSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2cn(C)cn2)c1[O-] ZINC001452490310 1011282450 /nfs/dbraw/zinc/28/24/50/1011282450.db2.gz OWTAZNWNRYKDIB-SSDOTTSWSA-N -1 0 306.326 -0.294 20 0 DBADRM O=C(NCC1(CCNC(=O)C2CC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001452550178 1011299792 /nfs/dbraw/zinc/29/97/92/1011299792.db2.gz PSFDFCJBISTQOU-UHFFFAOYSA-N -1 0 321.337 -0.291 20 0 DBADRM CCCCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001452624498 1011314721 /nfs/dbraw/zinc/31/47/21/1011314721.db2.gz GSTWGLHNIPAUOF-NXEZZACHSA-N -1 0 310.354 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2cnn(C)c2)c1[O-] ZINC001452733466 1011368340 /nfs/dbraw/zinc/36/83/40/1011368340.db2.gz WIJYAANQTLFPRL-ZETCQYMHSA-N -1 0 306.326 -0.294 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(Cc2nc(N)c3ccccc3n2)CC1=O ZINC001598565771 1017310164 /nfs/dbraw/zinc/31/01/64/1017310164.db2.gz IJJWBIDPIJIFSA-NSHDSACASA-N -1 0 315.333 -0.061 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])CCC1=O ZINC001598568878 1017310397 /nfs/dbraw/zinc/31/03/97/1017310397.db2.gz XFUHZZJMBSBVMA-UWVGGRQHSA-N -1 0 311.338 -0.811 20 0 DBADRM CN1C[C@@H](OC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)C[C@H]1C(=O)[O-] ZINC001598568983 1017311397 /nfs/dbraw/zinc/31/13/97/1017311397.db2.gz GIQSZMQUENLEFU-YAXHFPQCSA-N -1 0 311.334 -0.071 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)Cc2ccc3n[nH]cc3c2)CC1=O ZINC001598565748 1017311434 /nfs/dbraw/zinc/31/14/34/1017311434.db2.gz ZYYTYIVUDSIDHN-GFCCVEGCSA-N -1 0 316.317 -0.141 20 0 DBADRM CN1C[C@H](NS(=O)(=O)c2cncc(C(=O)[O-])c2)CCC1=O ZINC001598569810 1017311605 /nfs/dbraw/zinc/31/16/05/1017311605.db2.gz MNQPMKQVOPCYED-SECBINFHSA-N -1 0 313.335 -0.321 20 0 DBADRM CN1CC2(CN(S(=O)(=O)CC(C)(C)C(=O)[O-])C2)OC1=O ZINC001598572152 1017314556 /nfs/dbraw/zinc/31/45/56/1017314556.db2.gz HUAFOLLVYCTUPL-UHFFFAOYSA-N -1 0 306.340 -0.437 20 0 DBADRM CN1C[C@@H](OC(=O)c2ccc(-n3cnnn3)cc2)C[C@@H]1C(=O)[O-] ZINC001598572052 1017315186 /nfs/dbraw/zinc/31/51/86/1017315186.db2.gz CRBBWXAMBRGQJM-NWDGAFQWSA-N -1 0 317.305 -0.024 20 0 DBADRM CN1CC[C@@H](C(=O)OCCCc2cn(CC(=O)[O-])nn2)C1=O ZINC001598578135 1017316480 /nfs/dbraw/zinc/31/64/80/1017316480.db2.gz NEYIDNPAHGGPFZ-SNVBAGLBSA-N -1 0 310.310 -0.683 20 0 DBADRM CN1CC[C@@H](C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CC1=O ZINC001598579490 1017317850 /nfs/dbraw/zinc/31/78/50/1017317850.db2.gz YUMPRZPSEBXDIL-YMTOWFKASA-N -1 0 309.322 -0.313 20 0 DBADRM CN1CC[C@@](C)(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001598577708 1017318434 /nfs/dbraw/zinc/31/84/34/1017318434.db2.gz JHECGNKKSXWCJA-YMTOWFKASA-N -1 0 321.337 -0.382 20 0 DBADRM CN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598584760 1017319192 /nfs/dbraw/zinc/31/91/92/1017319192.db2.gz FYKWKFIPOUXCRS-SNVBAGLBSA-N -1 0 313.335 -0.369 20 0 DBADRM CN1CC[C@H](NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1=O ZINC001598585290 1017321509 /nfs/dbraw/zinc/32/15/09/1017321509.db2.gz FKLSGPHGTKNIFS-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001452993956 1011490092 /nfs/dbraw/zinc/49/00/92/1011490092.db2.gz LDAMHFQQJZIGLR-IVZWLZJFSA-N -1 0 322.365 -0.234 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@H]1CC12CC2 ZINC001453003475 1011490273 /nfs/dbraw/zinc/49/02/73/1011490273.db2.gz UPYCUJWPEBCHJP-WCBMZHEXSA-N -1 0 320.349 -0.480 20 0 DBADRM CCC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001453134617 1011525237 /nfs/dbraw/zinc/52/52/37/1011525237.db2.gz TZJCTBFVHWVBNJ-VIFPVBQESA-N -1 0 323.353 -0.719 20 0 DBADRM Cn1cc(C2=CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)cn1 ZINC001453156797 1011538365 /nfs/dbraw/zinc/53/83/65/1011538365.db2.gz BMHAMMBIPCTWSQ-UHFFFAOYSA-N -1 0 304.310 -0.261 20 0 DBADRM CN(CC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)C(=O)C1CC1 ZINC001483015546 1011605211 /nfs/dbraw/zinc/60/52/11/1011605211.db2.gz MHFYRLGZZVXQOM-NSCUHMNNSA-N -1 0 322.369 -0.859 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N(CCOCCO)C1CCC1 ZINC001453310751 1011605641 /nfs/dbraw/zinc/60/56/41/1011605641.db2.gz KLSAJOLSKCIWJN-UHFFFAOYSA-N -1 0 300.315 -0.921 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001483061417 1011654976 /nfs/dbraw/zinc/65/49/76/1011654976.db2.gz IAJAGDYDPFCAFI-ZBUJUXFTSA-N -1 0 307.354 -0.160 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NN2CCOC2=O)c1 ZINC001453482206 1011693104 /nfs/dbraw/zinc/69/31/04/1011693104.db2.gz URXYTYWHMOYCGJ-UHFFFAOYSA-N -1 0 301.280 -0.863 20 0 DBADRM CN(C(=O)C1CC1)C1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001453594617 1011744060 /nfs/dbraw/zinc/74/40/60/1011744060.db2.gz VRJAKYJMIVJERC-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C(=O)N1CCC(C)CC1 ZINC001483173992 1011759837 /nfs/dbraw/zinc/75/98/37/1011759837.db2.gz NYUWSEHAIFTXIZ-SNVBAGLBSA-N -1 0 324.385 -0.637 20 0 DBADRM Cn1nnc(NC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)n1 ZINC001453682784 1011793451 /nfs/dbraw/zinc/79/34/51/1011793451.db2.gz ZIAOWHUYUSXYON-UHFFFAOYSA-N -1 0 314.302 -0.027 20 0 DBADRM Cc1cc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)ncc1C(N)=O ZINC001453745219 1011807957 /nfs/dbraw/zinc/80/79/57/1011807957.db2.gz APSQRPIUWOQAID-ZETCQYMHSA-N -1 0 305.294 -0.584 20 0 DBADRM CN(OCC(F)(F)F)C(=O)CNC(=O)CCc1nnn[n-]1 ZINC001453742281 1011808201 /nfs/dbraw/zinc/80/82/01/1011808201.db2.gz ZNKGBQBUAIBWSN-UHFFFAOYSA-N -1 0 310.236 -0.799 20 0 DBADRM CC(=O)N1CC[C@](C)(CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001453887820 1011829199 /nfs/dbraw/zinc/82/91/99/1011829199.db2.gz HYWRJNSEBHUQCM-CQSZACIVSA-N -1 0 323.353 -0.410 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001453985648 1011844494 /nfs/dbraw/zinc/84/44/94/1011844494.db2.gz FWDHZVYALYNPJA-NXEZZACHSA-N -1 0 322.365 -0.137 20 0 DBADRM O=C(CCC1CC1)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001454319762 1011920673 /nfs/dbraw/zinc/92/06/73/1011920673.db2.gz KBFYTUYDKISWDF-MGCOHNPYSA-N -1 0 323.353 -0.357 20 0 DBADRM CC[C@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001454368581 1011945782 /nfs/dbraw/zinc/94/57/82/1011945782.db2.gz NBBCOUDYMGKIIZ-BIIVOSGPSA-N -1 0 309.326 -0.294 20 0 DBADRM NC(=O)C1(O)CN(C(=O)c2ncc(Br)cc2[O-])C1 ZINC001454392078 1011971643 /nfs/dbraw/zinc/97/16/43/1011971643.db2.gz VNBGVGBUYIIEOG-UHFFFAOYSA-N -1 0 316.111 -0.778 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001595783968 1017101092 /nfs/dbraw/zinc/10/10/92/1017101092.db2.gz XJHUHCQTKCOCFN-LBPRGKRZSA-N -1 0 307.368 -0.049 20 0 DBADRM CCCN(C)S(=O)(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001595839019 1017101308 /nfs/dbraw/zinc/10/13/08/1017101308.db2.gz DIOMAHIQLHORNT-SECBINFHSA-N -1 0 310.372 -0.231 20 0 DBADRM CCCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CCN(CC(N)=O)CC1 ZINC001595815188 1017101488 /nfs/dbraw/zinc/10/14/88/1017101488.db2.gz ZWXCPBITYUDAGT-NWDGAFQWSA-N -1 0 311.382 -0.105 20 0 DBADRM CCC(=O)NC[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001454415721 1011984954 /nfs/dbraw/zinc/98/49/54/1011984954.db2.gz ZKNRDUVCLDNSOV-QMMMGPOBSA-N -1 0 309.326 -0.339 20 0 DBADRM CCCN([C@H]1CC(=O)N(C)C1=O)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001595839961 1017102092 /nfs/dbraw/zinc/10/20/92/1017102092.db2.gz MIJDERQZEMGZEK-BDAKNGLRSA-N -1 0 320.367 -0.494 20 0 DBADRM CCCN(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001595882640 1017103642 /nfs/dbraw/zinc/10/36/42/1017103642.db2.gz KFRYBNDSYHSCJR-KVSVUVNWSA-N -1 0 324.377 -0.046 20 0 DBADRM CCCN(CCNC(=O)c1ncn(C)n1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001595883128 1017104185 /nfs/dbraw/zinc/10/41/85/1017104185.db2.gz RISHUPPEOQYMQO-UWVGGRQHSA-N -1 0 323.353 -0.496 20 0 DBADRM CCCN(CN1C[C@@H](C(=O)[O-])CC1=O)[C@H]1CCS(=O)(=O)C1 ZINC001595886030 1017104275 /nfs/dbraw/zinc/10/42/75/1017104275.db2.gz SUOUWQZTVGTPOF-QWRGUYRKSA-N -1 0 318.395 -0.224 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])CC(=O)N1CCC1 ZINC001595880431 1017104281 /nfs/dbraw/zinc/10/42/81/1017104281.db2.gz WAZWNKGBVZNVEY-VXGBXAGGSA-N -1 0 311.382 -0.232 20 0 DBADRM CCCN(CN1C[C@H](C(=O)[O-])CC1=O)[C@H]1CCS(=O)(=O)C1 ZINC001595886029 1017104340 /nfs/dbraw/zinc/10/43/40/1017104340.db2.gz SUOUWQZTVGTPOF-MNOVXSKESA-N -1 0 318.395 -0.224 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC001595858638 1017104465 /nfs/dbraw/zinc/10/44/65/1017104465.db2.gz FASGRJSIEDIOHS-UHFFFAOYSA-N -1 0 305.312 -0.318 20 0 DBADRM O=C(C[C@@H]1CCC(=O)NC1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001483654905 1012020168 /nfs/dbraw/zinc/02/01/68/1012020168.db2.gz IXMCPTKBCIVXFL-UWVGGRQHSA-N -1 0 322.369 -0.883 20 0 DBADRM CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001595915437 1017106700 /nfs/dbraw/zinc/10/67/00/1017106700.db2.gz MVXDCYZCQRNUHV-MRVPVSSYSA-N -1 0 315.351 -0.027 20 0 DBADRM COC[C@H](NC(=O)Cn1ncc2cc(C)cnc21)c1nnn[n-]1 ZINC001595897038 1017106955 /nfs/dbraw/zinc/10/69/55/1017106955.db2.gz XBNCHAADMVGBLN-JTQLQIEISA-N -1 0 316.325 -0.243 20 0 DBADRM CCCN1C[C@H](C(=O)O[C@H](CC(=O)[O-])C(=O)OC)CC1=O ZINC001595901997 1017107048 /nfs/dbraw/zinc/10/70/48/1017107048.db2.gz QJNYCXLNBGSBSM-RKDXNWHRSA-N -1 0 301.295 -0.196 20 0 DBADRM CCCN1CCCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1=O ZINC001595909612 1017107235 /nfs/dbraw/zinc/10/72/35/1017107235.db2.gz OAFVQURVPDIZJS-SNVBAGLBSA-N -1 0 306.384 -0.019 20 0 DBADRM CCCNC(=O)CCCC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001595920623 1017107315 /nfs/dbraw/zinc/10/73/15/1017107315.db2.gz RLKKSCWUUKOPFK-GHMZBOCLSA-N -1 0 300.355 -0.023 20 0 DBADRM CCCNC(=O)CCCC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001595920914 1017107431 /nfs/dbraw/zinc/10/74/31/1017107431.db2.gz ZGSSLDCAXIWOQN-JTQLQIEISA-N -1 0 313.354 -0.563 20 0 DBADRM CCCN1C[C@@H](C(=O)N2CCOC[C@@H]2c2nnn[n-]2)CC1=O ZINC001454551893 1012032167 /nfs/dbraw/zinc/03/21/67/1012032167.db2.gz BXLWLAONGFVSHZ-VHSXEESVSA-N -1 0 308.342 -0.642 20 0 DBADRM CCCNC(=O)CCCC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454553313 1012032218 /nfs/dbraw/zinc/03/22/18/1012032218.db2.gz LKPYOUBVSXCSKG-SNVBAGLBSA-N -1 0 310.358 -0.204 20 0 DBADRM CCOCCn1cc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cn1 ZINC001454552708 1012032360 /nfs/dbraw/zinc/03/23/60/1012032360.db2.gz GWILQJJWNJBKPW-LLVKDONJSA-N -1 0 321.341 -0.354 20 0 DBADRM O=C([C@@H]1CCn2ccnc2C1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454554682 1012035850 /nfs/dbraw/zinc/03/58/50/1012035850.db2.gz QTOAGTDTOSLIKP-NXEZZACHSA-N -1 0 303.326 -0.441 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001483683952 1012047458 /nfs/dbraw/zinc/04/74/58/1012047458.db2.gz BECZDZBKELBGNI-JTQLQIEISA-N -1 0 324.385 -0.637 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001483770476 1012130786 /nfs/dbraw/zinc/13/07/86/1012130786.db2.gz VOWUNFZHKXLATB-BBBLOLIVSA-N -1 0 307.354 -0.184 20 0 DBADRM CCC(=O)NC[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001454874178 1012152130 /nfs/dbraw/zinc/15/21/30/1012152130.db2.gz ZCOJMTPNRXGKCJ-SECBINFHSA-N -1 0 323.353 -0.410 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2CCC(c3nnn[n-]3)CC2)n1 ZINC001455027034 1012191665 /nfs/dbraw/zinc/19/16/65/1012191665.db2.gz PMTAIVXSYWBKDF-UHFFFAOYSA-N -1 0 319.325 -0.411 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001455133753 1012228731 /nfs/dbraw/zinc/22/87/31/1012228731.db2.gz QZKKIPWAGXLEGD-MRVPVSSYSA-N -1 0 303.326 -0.506 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2cn(C)cn2)c1[O-] ZINC001455201358 1012270809 /nfs/dbraw/zinc/27/08/09/1012270809.db2.gz LVFPWIVHBXMDRO-UHFFFAOYSA-N -1 0 306.326 -0.341 20 0 DBADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CCC(=O)NCC12COC2 ZINC001455209689 1012276925 /nfs/dbraw/zinc/27/69/25/1012276925.db2.gz PMZASAGZFQRKGI-UHFFFAOYSA-N -1 0 318.289 -0.341 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2cn(C)nn2)c1[O-] ZINC001455231283 1012293470 /nfs/dbraw/zinc/29/34/70/1012293470.db2.gz NNBKIWQBCGCHTG-UHFFFAOYSA-N -1 0 307.314 -0.946 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@H]2CCC(=O)NC2)c1[O-] ZINC001455351303 1012356406 /nfs/dbraw/zinc/35/64/06/1012356406.db2.gz XLNULDDFJCWMOT-VIFPVBQESA-N -1 0 323.353 -0.862 20 0 DBADRM CC[C@H](F)C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001455392661 1012378029 /nfs/dbraw/zinc/37/80/29/1012378029.db2.gz GZBAXFBLLJMBFV-ZETCQYMHSA-N -1 0 303.294 -0.988 20 0 DBADRM Cc1cocc1C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001455396346 1012381039 /nfs/dbraw/zinc/38/10/39/1012381039.db2.gz SJGIVCZMFOLALX-UHFFFAOYSA-N -1 0 323.309 -0.521 20 0 DBADRM O=C(CC(F)(F)F)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484208938 1012381291 /nfs/dbraw/zinc/38/12/91/1012381291.db2.gz NCWQJOXYKIAPRP-SNVBAGLBSA-N -1 0 323.275 -0.484 20 0 DBADRM CCC(=O)NCCN(CC)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001455486750 1012418527 /nfs/dbraw/zinc/41/85/27/1012418527.db2.gz HXSLGLCMBRHAAE-UHFFFAOYSA-N -1 0 313.358 -0.156 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001455509288 1012425085 /nfs/dbraw/zinc/42/50/85/1012425085.db2.gz LJCOGKSNAJSPIV-BDAKNGLRSA-N -1 0 311.342 -0.690 20 0 DBADRM COC[C@H](NC(=O)C1=NN(CC(C)C)C(=O)CC1)c1nnn[n-]1 ZINC001455727870 1012492381 /nfs/dbraw/zinc/49/23/81/1012492381.db2.gz GIXOVCVYFLMSBX-JTQLQIEISA-N -1 0 323.357 -0.362 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CCc2nnc(C)n2C1)c1nnn[n-]1 ZINC001455726769 1012494923 /nfs/dbraw/zinc/49/49/23/1012494923.db2.gz DSRDLZGFEUVGDU-DTWKUNHWSA-N -1 0 306.330 -0.834 20 0 DBADRM CCc1noc(CCCC(=O)N[C@@H](COC)c2nnn[n-]2)n1 ZINC001455736853 1012496068 /nfs/dbraw/zinc/49/60/68/1012496068.db2.gz LXMMPJOEMNDQJC-QMMMGPOBSA-N -1 0 309.330 -0.028 20 0 DBADRM CCO[C@H](C(=O)N[C@H](COC)c1nnn[n-]1)C1CCOCC1 ZINC001455730549 1012497619 /nfs/dbraw/zinc/49/76/19/1012497619.db2.gz SCQIPNHMSRBQAS-MNOVXSKESA-N -1 0 313.358 -0.165 20 0 DBADRM COC[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1nnn[n-]1 ZINC001455744069 1012499741 /nfs/dbraw/zinc/49/97/41/1012499741.db2.gz XIPBFJMAEUQRQC-SECBINFHSA-N -1 0 318.293 -0.352 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1nnn[n-]1 ZINC001455738668 1012501328 /nfs/dbraw/zinc/50/13/28/1012501328.db2.gz QCMWJPHVNWYAEO-KWQFWETISA-N -1 0 305.294 -0.157 20 0 DBADRM O=C(c1nc2ncccn2n1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001455744741 1012501942 /nfs/dbraw/zinc/50/19/42/1012501942.db2.gz QMNBOMBLLCVCEO-SECBINFHSA-N -1 0 313.325 -0.268 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@]12C[C@H]1CCCC2 ZINC001484294029 1012538274 /nfs/dbraw/zinc/53/82/74/1012538274.db2.gz JVHSMUBNETWYKN-MEBBXXQBSA-N -1 0 321.381 -0.247 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC2(CC1)C[C@@H](O)CCO2 ZINC001456148797 1012565806 /nfs/dbraw/zinc/56/58/06/1012565806.db2.gz KWYTVKFAELRHCT-QMMMGPOBSA-N -1 0 310.310 -0.571 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001456313593 1012649430 /nfs/dbraw/zinc/64/94/30/1012649430.db2.gz YUGYAAAAYUJBFP-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM CC1(C(=O)NCC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001456513076 1012741350 /nfs/dbraw/zinc/74/13/50/1012741350.db2.gz USTXVOQJVAXPRV-UHFFFAOYSA-N -1 0 307.310 -0.729 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC([C@@H]2COC(=O)N2)CC1 ZINC001456553041 1012755830 /nfs/dbraw/zinc/75/58/30/1012755830.db2.gz AEYGRWQSVBKZSI-ZETCQYMHSA-N -1 0 309.282 -0.757 20 0 DBADRM CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001456617359 1012782550 /nfs/dbraw/zinc/78/25/50/1012782550.db2.gz NGCWTHMDIILHON-UWVGGRQHSA-N -1 0 323.353 -0.309 20 0 DBADRM CC[C@@H](CNC(=O)c1cn(C)nn1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001456776221 1012814442 /nfs/dbraw/zinc/81/44/42/1012814442.db2.gz CALGSUSNORZKPY-QMMMGPOBSA-N -1 0 321.341 -0.509 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@H](C)c1nn(C)cc1[O-] ZINC001456793979 1012816967 /nfs/dbraw/zinc/81/69/67/1012816967.db2.gz PIGAUZNHGTZYPE-SECBINFHSA-N -1 0 318.399 -0.026 20 0 DBADRM CCOC(=O)N1C[C@H](NC(=O)c2c[n-]ncc2=O)[C@@H](CO)C1 ZINC001456975396 1012841686 /nfs/dbraw/zinc/84/16/86/1012841686.db2.gz ONYSOWPSKFMINB-SCZZXKLOSA-N -1 0 310.310 -0.639 20 0 DBADRM COc1nn(C)cc1CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001456992027 1012842232 /nfs/dbraw/zinc/84/22/32/1012842232.db2.gz JFFDXUUQBZTBMB-UHFFFAOYSA-N -1 0 310.314 -0.472 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)C(C)(C)F ZINC001457238650 1012855579 /nfs/dbraw/zinc/85/55/79/1012855579.db2.gz WIUMTOGIJAOYEA-SSDOTTSWSA-N -1 0 317.321 -0.694 20 0 DBADRM CCOCC(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001484788830 1012859412 /nfs/dbraw/zinc/85/94/12/1012859412.db2.gz GMUSUMOZWOLFCH-SECBINFHSA-N -1 0 311.342 -0.994 20 0 DBADRM CCCCC(=O)NC[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001457258338 1012859900 /nfs/dbraw/zinc/85/99/00/1012859900.db2.gz MZVXCBRWPOPVAA-SECBINFHSA-N -1 0 313.358 -0.252 20 0 DBADRM O=C(CC1CC1)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001484829091 1012867822 /nfs/dbraw/zinc/86/78/22/1012867822.db2.gz DJWRSNSOEVUUAZ-CQSZACIVSA-N -1 0 309.370 -0.247 20 0 DBADRM CCC(=O)NCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC001484969221 1012913408 /nfs/dbraw/zinc/91/34/08/1012913408.db2.gz VKBHPNSUCLQBKO-VHSXEESVSA-N -1 0 324.385 -0.494 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1 ZINC001484969954 1012919331 /nfs/dbraw/zinc/91/93/31/1012919331.db2.gz OFKLQZXRESOCTM-PSASIEDQSA-N -1 0 310.358 -0.885 20 0 DBADRM O=C(NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccoc1 ZINC001485013964 1012941280 /nfs/dbraw/zinc/94/12/80/1012941280.db2.gz QICUINHLVAETRS-UHFFFAOYSA-N -1 0 321.337 -0.140 20 0 DBADRM CC[C@@H](F)C(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001485022370 1012947834 /nfs/dbraw/zinc/94/78/34/1012947834.db2.gz XGYQOVYOVFRZRU-SECBINFHSA-N -1 0 315.349 -0.299 20 0 DBADRM CCCNC(=O)c1cccc(C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001595930790 1017109702 /nfs/dbraw/zinc/10/97/02/1017109702.db2.gz JHEYGIYKSIHUGJ-UHFFFAOYSA-N -1 0 321.333 -0.243 20 0 DBADRM CCCOCCOC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001595946601 1017110938 /nfs/dbraw/zinc/11/09/38/1017110938.db2.gz SENQVDUCPPPCMN-VIFPVBQESA-N -1 0 309.340 -0.267 20 0 DBADRM CCCc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])[nH]n1 ZINC001596053740 1017112202 /nfs/dbraw/zinc/11/22/02/1017112202.db2.gz WSMNHPRKNHXENZ-JTQLQIEISA-N -1 0 315.351 -0.314 20 0 DBADRM CCCn1c(C)nnc1C[S@@](=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC001596108512 1017112316 /nfs/dbraw/zinc/11/23/16/1017112316.db2.gz ACCWKMNHBNAJOY-CWKPULSASA-N -1 0 316.383 -0.165 20 0 DBADRM CCCn1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001596111261 1017113086 /nfs/dbraw/zinc/11/30/86/1017113086.db2.gz NFHCRLKSGQKAGL-VHSXEESVSA-N -1 0 321.337 -0.651 20 0 DBADRM CCCn1cc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)nn1 ZINC001596113325 1017113780 /nfs/dbraw/zinc/11/37/80/1017113780.db2.gz BTAXHPVORYQYQV-JTQLQIEISA-N -1 0 310.310 -0.080 20 0 DBADRM CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001596184258 1017116915 /nfs/dbraw/zinc/11/69/15/1017116915.db2.gz XPGNELLYMOPGRX-KXUCPTDWSA-N -1 0 316.379 -0.002 20 0 DBADRM CCN(CC(=O)[O-])C(=O)CCNS(=O)(=O)c1cccnc1 ZINC001596215206 1017119694 /nfs/dbraw/zinc/11/96/94/1017119694.db2.gz TUEWDHBMBIRHLN-UHFFFAOYSA-N -1 0 315.351 -0.317 20 0 DBADRM CCN(CC(=O)[O-])C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC001596215199 1017120483 /nfs/dbraw/zinc/12/04/83/1017120483.db2.gz RVEXEMLKUNYCFP-UHFFFAOYSA-N -1 0 316.335 -0.354 20 0 DBADRM CCN(CC(=O)NC)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001596203863 1017121173 /nfs/dbraw/zinc/12/11/73/1017121173.db2.gz OBTWAPUVVPJJCL-UHFFFAOYSA-N -1 0 314.367 -0.223 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001596247218 1017123202 /nfs/dbraw/zinc/12/32/02/1017123202.db2.gz DQOFRVPLGMKOLD-ZJUUUORDSA-N -1 0 301.343 -0.262 20 0 DBADRM CCN(CC)C(=O)CCC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001596242838 1017123713 /nfs/dbraw/zinc/12/37/13/1017123713.db2.gz JYRBARYNGXNDML-UHFFFAOYSA-N -1 0 311.342 -0.259 20 0 DBADRM CCN(CC)C(=O)COC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001596247838 1017124046 /nfs/dbraw/zinc/12/40/46/1017124046.db2.gz OUVNVAJVCVXUTM-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM CCN(CC)C(=O)CN1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001596246155 1017124071 /nfs/dbraw/zinc/12/40/71/1017124071.db2.gz ZJFQMNLJDBTSLH-UWVGGRQHSA-N -1 0 311.338 -0.018 20 0 DBADRM CCN(CC)S(=O)(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001596283144 1017124196 /nfs/dbraw/zinc/12/41/96/1017124196.db2.gz JSEXVSDCVSSTCW-VIFPVBQESA-N -1 0 310.372 -0.231 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)Cn1ccnc1 ZINC001596326024 1017126162 /nfs/dbraw/zinc/12/61/62/1017126162.db2.gz ALMLBCFSGPDGHR-NEPJUHHUSA-N -1 0 322.365 -0.041 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)CCN1C(=O)CCNC1=S ZINC001596305627 1017126859 /nfs/dbraw/zinc/12/68/59/1017126859.db2.gz KIXPSQHFICTGBX-UHFFFAOYSA-N -1 0 301.368 -0.194 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1cn(C)nn1 ZINC001596327239 1017128089 /nfs/dbraw/zinc/12/80/89/1017128089.db2.gz VFENKHFKHQYEAU-NWDGAFQWSA-N -1 0 309.370 -0.136 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001596327306 1017128175 /nfs/dbraw/zinc/12/81/75/1017128175.db2.gz XXKLWJSOBKFPJO-KVSVUVNWSA-N -1 0 324.377 -0.046 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1cc(C)nc(CO)n1 ZINC001596333362 1017128292 /nfs/dbraw/zinc/12/82/92/1017128292.db2.gz QRRLZHBXYJGALY-GHMZBOCLSA-N -1 0 322.365 -0.059 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)Cc1ccon1 ZINC001596333509 1017128928 /nfs/dbraw/zinc/12/89/28/1017128928.db2.gz RFIKJNBEBKYPHL-QWRGUYRKSA-N -1 0 309.322 -0.098 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)Cc1cnc[nH]1 ZINC001596331653 1017129045 /nfs/dbraw/zinc/12/90/45/1017129045.db2.gz CUMJOBQCTQMNLU-QWRGUYRKSA-N -1 0 308.338 -0.362 20 0 DBADRM CCN(CCCNC(=O)c1ncn(C)n1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596328371 1017129117 /nfs/dbraw/zinc/12/91/17/1017129117.db2.gz QYJLDCCBBOKWAL-ZJUUUORDSA-N -1 0 323.353 -0.496 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001596327307 1017129171 /nfs/dbraw/zinc/12/91/71/1017129171.db2.gz XXKLWJSOBKFPJO-OBPIAQAESA-N -1 0 324.377 -0.046 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)Cc1cnc[nH]1 ZINC001596331649 1017129325 /nfs/dbraw/zinc/12/93/25/1017129325.db2.gz CUMJOBQCTQMNLU-GHMZBOCLSA-N -1 0 308.338 -0.362 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1cn(C)nn1 ZINC001596327241 1017129499 /nfs/dbraw/zinc/12/94/99/1017129499.db2.gz VFENKHFKHQYEAU-VXGBXAGGSA-N -1 0 309.370 -0.136 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1ncccn1 ZINC001596333516 1017129525 /nfs/dbraw/zinc/12/95/25/1017129525.db2.gz RMUKLMWEOSANMB-NXEZZACHSA-N -1 0 306.322 -0.224 20 0 DBADRM CCN(CCNC(=O)Cc1ccn(C)n1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596334467 1017130717 /nfs/dbraw/zinc/13/07/17/1017130717.db2.gz LVOQAQMKMXOJMM-VXGBXAGGSA-N -1 0 322.365 -0.352 20 0 DBADRM CCN(CCNCc1nnnn1C1CC1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596339809 1017130738 /nfs/dbraw/zinc/13/07/38/1017130738.db2.gz PWYWEVNJXIQIQY-GHMZBOCLSA-N -1 0 322.369 -0.333 20 0 DBADRM CCN(CCNC(=O)c1ncccn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596335001 1017130767 /nfs/dbraw/zinc/13/07/67/1017130767.db2.gz FQDWGDQQQKIRAF-UWVGGRQHSA-N -1 0 306.322 -0.224 20 0 DBADRM CCN(CCNC(=O)Cc1nc[nH]n1)c1ccnc(C(=O)[O-])n1 ZINC001596334375 1017130818 /nfs/dbraw/zinc/13/08/18/1017130818.db2.gz GNFNAMFRIICJHA-UHFFFAOYSA-N -1 0 319.325 -0.522 20 0 DBADRM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)c1cnnn1C ZINC001596340483 1017131057 /nfs/dbraw/zinc/13/10/57/1017131057.db2.gz AKRLHTVYCSKQHO-UHFFFAOYSA-N -1 0 319.325 -0.123 20 0 DBADRM CCN(CCNC(=O)Cc1ccn(C)n1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596334464 1017131259 /nfs/dbraw/zinc/13/12/59/1017131259.db2.gz LVOQAQMKMXOJMM-NEPJUHHUSA-N -1 0 322.365 -0.352 20 0 DBADRM CCN(CCNCc1nnnn1C1CC1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596339811 1017131613 /nfs/dbraw/zinc/13/16/13/1017131613.db2.gz PWYWEVNJXIQIQY-MNOVXSKESA-N -1 0 322.369 -0.333 20 0 DBADRM CCN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1cn(C)nn1 ZINC001596339816 1017131920 /nfs/dbraw/zinc/13/19/20/1017131920.db2.gz QBIFLZFRTBWMII-UHFFFAOYSA-N -1 0 319.325 -0.701 20 0 DBADRM CCN(CCOC)C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001596340461 1017132203 /nfs/dbraw/zinc/13/22/03/1017132203.db2.gz HHFMPXLTLJGYEN-UHFFFAOYSA-N -1 0 312.326 -0.290 20 0 DBADRM CCN(CCNC(=O)c1cnnn1C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596335363 1017132314 /nfs/dbraw/zinc/13/23/14/1017132314.db2.gz NEJKCHDBOYLHKX-DTWKUNHWSA-N -1 0 309.326 -0.886 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)c3cc(C(=O)[O-])no3)CCN2C1=O ZINC001596390313 1017133593 /nfs/dbraw/zinc/13/35/93/1017133593.db2.gz SFRXSUOMZQMXDP-MRVPVSSYSA-N -1 0 322.277 -0.519 20 0 DBADRM CCN(OC)C(=O)CNC(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1 ZINC001596384281 1017134760 /nfs/dbraw/zinc/13/47/60/1017134760.db2.gz QPYIWJDXOSIRJW-ZJUUUORDSA-N -1 0 302.327 -0.075 20 0 DBADRM CCN1C[C@@H](NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1=O ZINC001596398550 1017136054 /nfs/dbraw/zinc/13/60/54/1017136054.db2.gz ZASAGKZFYJECHR-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN1C[C@H](CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1=O ZINC001596397421 1017136067 /nfs/dbraw/zinc/13/60/67/1017136067.db2.gz HFHQGMKNBMBPJG-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM CCN1C[C@H](C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CC1=O ZINC001596394531 1017136657 /nfs/dbraw/zinc/13/66/57/1017136657.db2.gz KCDXYVMSNLEIIP-NXEZZACHSA-N -1 0 314.338 -0.423 20 0 DBADRM CCN1CC[C@H]1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001596415281 1017139556 /nfs/dbraw/zinc/13/95/56/1017139556.db2.gz NOSWBPVVTGANHN-WOPDTQHZSA-N -1 0 311.382 -0.234 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC001596442920 1017145579 /nfs/dbraw/zinc/14/55/79/1017145579.db2.gz WOLOVTMIARIQQE-RYUDHWBXSA-N -1 0 300.355 -0.609 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)c2ccoc2CC(=O)[O-])CC1 ZINC001596432509 1017146053 /nfs/dbraw/zinc/14/60/53/1017146053.db2.gz WSFDOQLTDVCNEE-UHFFFAOYSA-N -1 0 323.349 -0.199 20 0 DBADRM CCN1CCO[C@H](C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])C1 ZINC001596442323 1017146500 /nfs/dbraw/zinc/14/65/00/1017146500.db2.gz HZWFSSDVYGDSES-QWRGUYRKSA-N -1 0 316.354 -0.570 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC001596442364 1017146570 /nfs/dbraw/zinc/14/65/70/1017146570.db2.gz JIAJRZRLLQYVHN-GYSYKLTISA-N -1 0 300.355 -0.202 20 0 DBADRM CCN1CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CC1=O ZINC001596438216 1017146820 /nfs/dbraw/zinc/14/68/20/1017146820.db2.gz AYVVJBQWDBZAIB-UHFFFAOYSA-N -1 0 313.335 -0.367 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001596444241 1017148787 /nfs/dbraw/zinc/14/87/87/1017148787.db2.gz LJLXRRXHQIIRKC-RISCZKNCSA-N -1 0 300.355 -0.153 20 0 DBADRM CCNC(=O)CCC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001596457190 1017148808 /nfs/dbraw/zinc/14/88/08/1017148808.db2.gz QFWFLFFYEPPASF-IUCAKERBSA-N -1 0 300.311 -0.765 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001596452217 1017148833 /nfs/dbraw/zinc/14/88/33/1017148833.db2.gz PIIPKGULYAFIEZ-SECBINFHSA-N -1 0 321.333 -0.107 20 0 DBADRM CCNC(=O)CC(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001596456279 1017149077 /nfs/dbraw/zinc/14/90/77/1017149077.db2.gz IXZGJBSQRBXVLT-SNVBAGLBSA-N -1 0 321.337 -0.286 20 0 DBADRM CCNC(=O)C(C)(C)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001596450800 1017149418 /nfs/dbraw/zinc/14/94/18/1017149418.db2.gz YUWQHBXLJFQQII-UHFFFAOYSA-N -1 0 315.351 -0.027 20 0 DBADRM CCNC(=O)CC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001596456334 1017149705 /nfs/dbraw/zinc/14/97/05/1017149705.db2.gz KZGGRFDLZYIGIM-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001596451541 1017149942 /nfs/dbraw/zinc/14/99/42/1017149942.db2.gz FITLIOGTKTXHAR-MRVPVSSYSA-N -1 0 307.306 -0.036 20 0 DBADRM CCNC(=O)CCCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001596456808 1017150161 /nfs/dbraw/zinc/15/01/61/1017150161.db2.gz CKMPRJNTOFYSKH-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM CCNC(=O)N1CCN([C@H](CCC(=O)OC)C(=O)[O-])CC1 ZINC001596468363 1017151257 /nfs/dbraw/zinc/15/12/57/1017151257.db2.gz IRDLXLSISFBJLN-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CCOC(=O)[C@H](F)C1CN(C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001596535348 1017156865 /nfs/dbraw/zinc/15/68/65/1017156865.db2.gz ONPILJQTOYXZPL-LLVKDONJSA-N -1 0 313.285 -0.059 20 0 DBADRM CCOC(=O)[C@H](CSC)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001596534222 1017157525 /nfs/dbraw/zinc/15/75/25/1017157525.db2.gz HNHATIVPYCYBEQ-VIFPVBQESA-N -1 0 315.351 -0.008 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N1CCO[C@H](CC(=O)[O-])C1)C(C)=O ZINC001596527473 1017157739 /nfs/dbraw/zinc/15/77/39/1017157739.db2.gz ZQQIDDSRGSVEAI-MNOVXSKESA-N -1 0 315.322 -0.153 20 0 DBADRM CCOC(=O)[C@@H]1CN([C@@H](CCC(=O)OC)C(=O)[O-])CCO1 ZINC001596585062 1017160641 /nfs/dbraw/zinc/16/06/41/1017160641.db2.gz FEJBFPNLDUOHSH-UWVGGRQHSA-N -1 0 303.311 -0.343 20 0 DBADRM CCOC(=O)[C@@H]1CN(CC(=O)NCCC(=O)[O-])CC12COC2 ZINC001596585790 1017160882 /nfs/dbraw/zinc/16/08/82/1017160882.db2.gz TVZWHEPUVVGPTA-JTQLQIEISA-N -1 0 314.338 -0.911 20 0 DBADRM CCOC(=O)c1cnn2c1nccc2C(=O)N[C@@H](CO)C(=O)[O-] ZINC001596742908 1017167955 /nfs/dbraw/zinc/16/79/55/1017167955.db2.gz FCCJTUJZJPVHEL-QMMMGPOBSA-N -1 0 322.277 -0.919 20 0 DBADRM CCO[C@@H](CC)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001596780882 1017170549 /nfs/dbraw/zinc/17/05/49/1017170549.db2.gz PVPJMIXTPLJPIP-HOTUBEGUSA-N -1 0 307.368 -0.194 20 0 DBADRM CCO[C@@H](C)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001596772063 1017171050 /nfs/dbraw/zinc/17/10/50/1017171050.db2.gz HDTAEDJRHAQBTC-CIUDSAMLSA-N -1 0 313.310 -0.983 20 0 DBADRM CCOCC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O ZINC001596862491 1017172955 /nfs/dbraw/zinc/17/29/55/1017172955.db2.gz VODBRSWXKUCRCY-QWRGUYRKSA-N -1 0 324.337 -0.733 20 0 DBADRM CCOCC(=O)NC[C@@]1(O)CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001596860529 1017173209 /nfs/dbraw/zinc/17/32/09/1017173209.db2.gz FZDRFZVVCJNWAN-AWEZNQCLSA-N -1 0 324.337 -0.731 20 0 DBADRM CCO[C@@H]1C[C@@](NC(=O)[C@@H]2CN(C)C(=O)N2)(C(=O)[O-])C1(C)C ZINC001596818164 1017173850 /nfs/dbraw/zinc/17/38/50/1017173850.db2.gz LMKVKRWKGCPORK-ATEUNZGCSA-N -1 0 313.354 -0.215 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 ZINC001596868661 1017173999 /nfs/dbraw/zinc/17/39/99/1017173999.db2.gz LOZHGOUYDSUODD-RYUDHWBXSA-N -1 0 324.337 -0.139 20 0 DBADRM CCOCCCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001596907594 1017179008 /nfs/dbraw/zinc/17/90/08/1017179008.db2.gz NWXAJORAEHTFBM-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C)nn1 ZINC001596884099 1017176726 /nfs/dbraw/zinc/17/67/26/1017176726.db2.gz GMIHWWIHEORWMR-VIFPVBQESA-N -1 0 303.340 -0.105 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@H](C)/C=C\C(=O)[O-] ZINC001596945362 1017180695 /nfs/dbraw/zinc/18/06/95/1017180695.db2.gz ZCPHUTCJCVLLPS-XRVBUDJMSA-N -1 0 308.356 -0.912 20 0 DBADRM CCOCCNC(=O)CN[C@@H](Cc1cncs1)C(=O)[O-] ZINC001596929345 1017178301 /nfs/dbraw/zinc/17/83/01/1017178301.db2.gz BDLIOFVOUCFXKV-JTQLQIEISA-N -1 0 301.368 -0.119 20 0 DBADRM CCOc1cc(C(=O)NC(CO)CO)ccc1OCC(=O)[O-] ZINC001597000023 1017183099 /nfs/dbraw/zinc/18/30/99/1017183099.db2.gz SHWDCBYRBWTTNJ-UHFFFAOYSA-N -1 0 313.306 -0.368 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)N2CC(O)(C(=O)[O-])C2)[C@@H]1SC ZINC001596979792 1017184005 /nfs/dbraw/zinc/18/40/05/1017184005.db2.gz OBKJTUNXRTZTNF-HLTSFMKQSA-N -1 0 304.368 -0.264 20 0 DBADRM CCO[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001596980919 1017184295 /nfs/dbraw/zinc/18/42/95/1017184295.db2.gz PZBAMJMZGNJPSN-HTQZYQBOSA-N -1 0 305.312 -0.810 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001596980443 1017184336 /nfs/dbraw/zinc/18/43/36/1017184336.db2.gz CFQJRRFDPZJOPF-LMLFDSFASA-N -1 0 302.327 -0.733 20 0 DBADRM CCOc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001596997884 1017184612 /nfs/dbraw/zinc/18/46/12/1017184612.db2.gz KMVRXSJFFCASKL-IUCAKERBSA-N -1 0 322.321 -0.530 20 0 DBADRM CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001596981042 1017184721 /nfs/dbraw/zinc/18/47/21/1017184721.db2.gz LCBSTBUNWMGGCB-VWYCJHECSA-N -1 0 314.338 -0.676 20 0 DBADRM CCOc1ccc(OC[C@H](O)CN2CC(O)(C(=O)[O-])C2)cc1 ZINC001597130317 1017186825 /nfs/dbraw/zinc/18/68/25/1017186825.db2.gz KGDOSKMHJURALI-LLVKDONJSA-N -1 0 311.334 -0.044 20 0 DBADRM CC(C)(C)OC(=O)[C@]1(C(=O)NCc2nc(=O)o[n-]2)CCCO1 ZINC001597159037 1017187119 /nfs/dbraw/zinc/18/71/19/1017187119.db2.gz IKEXODFLBFRATE-CYBMUJFWSA-N -1 0 313.310 -0.130 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)Nc2cc(C(=O)[O-])nn2C)C1 ZINC001597204671 1017188359 /nfs/dbraw/zinc/18/83/59/1017188359.db2.gz YHPVMCMHBYSEBE-UHFFFAOYSA-N -1 0 316.339 -0.231 20 0 DBADRM CCS(=O)(=O)CCCNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001597209205 1017188627 /nfs/dbraw/zinc/18/86/27/1017188627.db2.gz CQNPTIKXWQIJMH-UHFFFAOYSA-N -1 0 313.397 -0.262 20 0 DBADRM CCS(=O)(=O)NCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001597225873 1017192687 /nfs/dbraw/zinc/19/26/87/1017192687.db2.gz XQDBMYMSWJTHCH-UHFFFAOYSA-N -1 0 307.353 -0.352 20 0 DBADRM CCSC1(CNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)CC1 ZINC001597252492 1017195151 /nfs/dbraw/zinc/19/51/51/1017195151.db2.gz JHXKPDLLGIMLDV-UHFFFAOYSA-N -1 0 302.352 -0.954 20 0 DBADRM CC[S@](=O)CCNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001597250238 1017195190 /nfs/dbraw/zinc/19/51/90/1017195190.db2.gz PKPVMYZPSILQKD-SFHVURJKSA-N -1 0 308.381 -0.230 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001597251779 1017195939 /nfs/dbraw/zinc/19/59/39/1017195939.db2.gz WIENBVLNNHJLCT-QPFGOUBPSA-N -1 0 302.349 -0.153 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCC(=O)NCC(=O)[O-] ZINC001597318688 1017195459 /nfs/dbraw/zinc/19/54/59/1017195459.db2.gz ACQMREGACVKQNQ-XVKPBYJWSA-N -1 0 303.315 -0.926 20 0 DBADRM CC[C@@H]1C[C@H]1NC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001597301365 1017195780 /nfs/dbraw/zinc/19/57/80/1017195780.db2.gz RVIHMSYYRHFSKU-IJLUTSLNSA-N -1 0 311.382 -0.092 20 0 DBADRM CCc1[nH]c(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)c(C)c1C(=O)[O-] ZINC001597368274 1017197832 /nfs/dbraw/zinc/19/78/32/1017197832.db2.gz OSSJPNRLFYXXIO-ZETCQYMHSA-N -1 0 322.321 -0.056 20 0 DBADRM CCc1c(C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])[nH]c(C)c1C(N)=O ZINC001597410653 1017198377 /nfs/dbraw/zinc/19/83/77/1017198377.db2.gz CDTUGCLOFDOIKM-KCJUWKMLSA-N -1 0 309.322 -0.044 20 0 DBADRM CCc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1C ZINC001597426460 1017198457 /nfs/dbraw/zinc/19/84/57/1017198457.db2.gz INKBKCQFHDVULC-MNOVXSKESA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1C ZINC001597426458 1017198467 /nfs/dbraw/zinc/19/84/67/1017198467.db2.gz INKBKCQFHDVULC-GHMZBOCLSA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1cc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)n[nH]1 ZINC001597471160 1017198647 /nfs/dbraw/zinc/19/86/47/1017198647.db2.gz SDNHASFCXLIFQF-KCJUWKMLSA-N -1 0 308.338 -0.090 20 0 DBADRM CCc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1C ZINC001597429656 1017199445 /nfs/dbraw/zinc/19/94/45/1017199445.db2.gz NBSHUYGUJVRUBQ-GHMZBOCLSA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1cc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)no1 ZINC001597429891 1017199460 /nfs/dbraw/zinc/19/94/60/1017199460.db2.gz WDTMWQXGMDATQX-UHFFFAOYSA-N -1 0 316.335 -0.001 20 0 DBADRM CCc1ccncc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001597622926 1017200642 /nfs/dbraw/zinc/20/06/42/1017200642.db2.gz GDBZWXNWDRPDCT-LLVKDONJSA-N -1 0 307.306 -0.106 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)nn1C ZINC001597478223 1017201125 /nfs/dbraw/zinc/20/11/25/1017201125.db2.gz VPUGPSBMTLTETR-PSASIEDQSA-N -1 0 324.337 -0.785 20 0 DBADRM CCc1cccnc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001597621274 1017201506 /nfs/dbraw/zinc/20/15/06/1017201506.db2.gz HXNLEMIWGMJIKW-JTQLQIEISA-N -1 0 312.347 -0.032 20 0 DBADRM CCc1cc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])n2ncnc2n1 ZINC001597477976 1017201789 /nfs/dbraw/zinc/20/17/89/1017201789.db2.gz SSGCIUBLNJVZMV-SNVBAGLBSA-N -1 0 318.337 -0.144 20 0 DBADRM CCc1cc(N2CCC[C@H]2C(=O)NCC(=O)[O-])n2ncnc2n1 ZINC001597477975 1017202387 /nfs/dbraw/zinc/20/23/87/1017202387.db2.gz SSGCIUBLNJVZMV-JTQLQIEISA-N -1 0 318.337 -0.144 20 0 DBADRM CCc1ccc(NC(=O)C(=O)N[C@@H]2COC[C@H]2O)c(C(=O)[O-])c1 ZINC001597540117 1017202547 /nfs/dbraw/zinc/20/25/47/1017202547.db2.gz PAAPURLEAKCVCQ-VXGBXAGGSA-N -1 0 322.317 -0.238 20 0 DBADRM CCc1nc[nH]c1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001597697818 1017203739 /nfs/dbraw/zinc/20/37/39/1017203739.db2.gz NFRJPLUXAVJHBH-ZJUUUORDSA-N -1 0 320.349 -0.023 20 0 DBADRM CCc1nnc(CN2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001597728321 1017205508 /nfs/dbraw/zinc/20/55/08/1017205508.db2.gz BJWGMBJEJDZLBC-NXEZZACHSA-N -1 0 308.338 -0.005 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1COCCN1 ZINC001597785272 1017206354 /nfs/dbraw/zinc/20/63/54/1017206354.db2.gz YYHBFDVMHZEAIN-MRVPVSSYSA-N -1 0 318.351 -0.193 20 0 DBADRM CCc1nncn1CCN1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001597735501 1017206846 /nfs/dbraw/zinc/20/68/46/1017206846.db2.gz FZMULVADQMGFHS-UWVGGRQHSA-N -1 0 321.337 -0.032 20 0 DBADRM CCc1nnc(Cn2cnc3c(cnn3CC(=O)[O-])c2=O)o1 ZINC001597729732 1017206880 /nfs/dbraw/zinc/20/68/80/1017206880.db2.gz HPTRBDHNHCOSPF-UHFFFAOYSA-N -1 0 304.266 -0.329 20 0 DBADRM CCn1cc(C(=O)C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cn1 ZINC001597870964 1017208507 /nfs/dbraw/zinc/20/85/07/1017208507.db2.gz SXQNZGJLPOXWGM-UHFFFAOYSA-N -1 0 318.293 -0.541 20 0 DBADRM CCn1c([C@@H](O)COC)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001597842940 1017208542 /nfs/dbraw/zinc/20/85/42/1017208542.db2.gz KWYFQYBCBIIJPX-UTLUCORTSA-N -1 0 314.342 -0.344 20 0 DBADRM CCc1ocnc1C(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597811191 1017209092 /nfs/dbraw/zinc/20/90/92/1017209092.db2.gz ZQICAVGQCIFYLN-IUCAKERBSA-N -1 0 307.306 -0.102 20 0 DBADRM CCn1c([C@H]2CCC(=O)NC2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001597844935 1017209589 /nfs/dbraw/zinc/20/95/89/1017209589.db2.gz SMKMECHICXIKNS-UWVGGRQHSA-N -1 0 323.353 -0.419 20 0 DBADRM CCn1cc(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)c(C(N)=O)n1 ZINC001597896627 1017210606 /nfs/dbraw/zinc/21/06/06/1017210606.db2.gz WKHOGMLGDLNSRI-GTNGPMTGSA-N -1 0 310.310 -0.181 20 0 DBADRM CCn1cc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)OC)nn1 ZINC001597881083 1017211025 /nfs/dbraw/zinc/21/10/25/1017211025.db2.gz SVEHDLGYBITVJZ-KOLCDFICSA-N -1 0 324.337 -0.295 20 0 DBADRM CCn1cc(CNC(=O)NCCC(=O)NCCC(=O)[O-])nn1 ZINC001597889663 1017211294 /nfs/dbraw/zinc/21/12/94/1017211294.db2.gz NOYADKOWXLRKEF-UHFFFAOYSA-N -1 0 312.330 -0.922 20 0 DBADRM CCn1cc(CN(C)CCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001597887646 1017211827 /nfs/dbraw/zinc/21/18/27/1017211827.db2.gz QQQIIQCYPGQEHO-RYUDHWBXSA-N -1 0 309.370 -0.043 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc(-n2nccn2)cc1 ZINC001597887029 1017211973 /nfs/dbraw/zinc/21/19/73/1017211973.db2.gz BTAQXAFXIMBJDF-UHFFFAOYSA-N -1 0 301.266 -0.091 20 0 DBADRM CCn1cc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])nn1 ZINC001597877102 1017212027 /nfs/dbraw/zinc/21/20/27/1017212027.db2.gz REMLVRGLJWJPDR-RKDXNWHRSA-N -1 0 309.326 -0.793 20 0 DBADRM CCn1cc(CC(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])nn1 ZINC001597879702 1017212396 /nfs/dbraw/zinc/21/23/96/1017212396.db2.gz DBNGAWMHTCAMAU-CYBMUJFWSA-N -1 0 306.326 -0.303 20 0 DBADRM CCn1cc(NC(=O)C(=O)N[C@]2(CC(=O)[O-])CCOC2)cn1 ZINC001597895906 1017212407 /nfs/dbraw/zinc/21/24/07/1017212407.db2.gz YVHZAQDRYVSNKT-ZDUSSCGKSA-N -1 0 310.310 -0.409 20 0 DBADRM CCn1cc(CNC(=O)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])nn1 ZINC001597887347 1017212419 /nfs/dbraw/zinc/21/24/19/1017212419.db2.gz IQDCDCVBLANHRR-UHFFFAOYSA-N -1 0 320.309 -0.112 20 0 DBADRM CCn1ccnc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597911593 1017213320 /nfs/dbraw/zinc/21/33/20/1017213320.db2.gz WFBKWYQSFGJFEV-GHMZBOCLSA-N -1 0 320.349 -0.094 20 0 DBADRM CCn1ccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC001597904344 1017213552 /nfs/dbraw/zinc/21/35/52/1017213552.db2.gz HQCBMNAJNDHINS-JTQLQIEISA-N -1 0 308.338 -0.158 20 0 DBADRM CCn1ccnc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001597910915 1017213568 /nfs/dbraw/zinc/21/35/68/1017213568.db2.gz KTLAFBRPNMAGEP-GHMZBOCLSA-N -1 0 320.349 -0.092 20 0 DBADRM CCn1ccc(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001597902436 1017213864 /nfs/dbraw/zinc/21/38/64/1017213864.db2.gz MAZDGWKYTBSTOF-QWRGUYRKSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1ccc(CNC(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)n1 ZINC001597905087 1017214827 /nfs/dbraw/zinc/21/48/27/1017214827.db2.gz VBEZDZYIRXGBID-MNOVXSKESA-N -1 0 324.337 -0.082 20 0 DBADRM CCn1ccc(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001597905209 1017214862 /nfs/dbraw/zinc/21/48/62/1017214862.db2.gz WDMYWYBIFCHDIP-JTQLQIEISA-N -1 0 315.351 -0.844 20 0 DBADRM CCn1cnc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001597916190 1017214914 /nfs/dbraw/zinc/21/49/14/1017214914.db2.gz GVSJZOJHJXSSQY-MNOVXSKESA-N -1 0 320.349 -0.094 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)cn1 ZINC001597898243 1017215159 /nfs/dbraw/zinc/21/51/59/1017215159.db2.gz NKHBFXJRPBZVSE-KOLCDFICSA-N -1 0 317.367 -0.081 20 0 DBADRM CCn1nc(C)c(CC(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c1C ZINC001597934678 1017216086 /nfs/dbraw/zinc/21/60/86/1017216086.db2.gz WCADMJHWLLHJOX-LBPRGKRZSA-N -1 0 322.365 -0.184 20 0 DBADRM CCn1nc(C)cc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597943496 1017216233 /nfs/dbraw/zinc/21/62/33/1017216233.db2.gz YGLXLNLUHCZBJM-GHMZBOCLSA-N -1 0 320.349 -0.127 20 0 DBADRM CCn1nc(C)c(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001597932588 1017216326 /nfs/dbraw/zinc/21/63/26/1017216326.db2.gz NOHASJURILBSJJ-VHSXEESVSA-N -1 0 321.337 -0.732 20 0 DBADRM CCn1nc(C)c(CNC2(C(=O)[O-])CCS(=O)(=O)CC2)n1 ZINC001597938259 1017216548 /nfs/dbraw/zinc/21/65/48/1017216548.db2.gz OGSVXIIYNJVCHS-UHFFFAOYSA-N -1 0 316.383 -0.272 20 0 DBADRM CCn1cnnc1CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001597922876 1017217155 /nfs/dbraw/zinc/21/71/55/1017217155.db2.gz BZGNLMHJSNEQAR-UHFFFAOYSA-N -1 0 312.330 -0.922 20 0 DBADRM CCn1cnnc1CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001597922901 1017217234 /nfs/dbraw/zinc/21/72/34/1017217234.db2.gz CLHGIUJTAYVZQI-UHFFFAOYSA-N -1 0 311.323 -0.130 20 0 DBADRM CCn1nc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)ccc1=O ZINC001597926847 1017217283 /nfs/dbraw/zinc/21/72/83/1017217283.db2.gz JTDWSSVOFBJVGX-LBPRGKRZSA-N -1 0 309.322 -0.439 20 0 DBADRM CCn1nc(C)c(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1C ZINC001597934382 1017217705 /nfs/dbraw/zinc/21/77/05/1017217705.db2.gz PXKPRHKMFMZHJX-LBPRGKRZSA-N -1 0 322.365 -0.136 20 0 DBADRM CCn1ncc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])n1 ZINC001597953595 1017218696 /nfs/dbraw/zinc/21/86/96/1017218696.db2.gz OAFDZVNJIFCXJK-VIFPVBQESA-N -1 0 311.342 -0.357 20 0 DBADRM CCn1ncc(C)c1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001597954495 1017218883 /nfs/dbraw/zinc/21/88/83/1017218883.db2.gz DUAPZSDEHFAYFR-SECBINFHSA-N -1 0 310.310 -0.538 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)n1 ZINC001597957089 1017218927 /nfs/dbraw/zinc/21/89/27/1017218927.db2.gz LZUZWSANCZDSLD-WCBMZHEXSA-N -1 0 309.326 -0.764 20 0 DBADRM CCn1ncc(Cl)c1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001597957667 1017219883 /nfs/dbraw/zinc/21/98/83/1017219883.db2.gz BIJHZQOHZRPMOH-MRVPVSSYSA-N -1 0 314.729 -0.076 20 0 DBADRM CCn1nccc1C(=O)NCCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001597962616 1017219896 /nfs/dbraw/zinc/21/98/96/1017219896.db2.gz NYOQQPZQTFWYMF-UWVGGRQHSA-N -1 0 308.338 -0.140 20 0 DBADRM CCn1nccc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001597962977 1017219936 /nfs/dbraw/zinc/21/99/36/1017219936.db2.gz QAEVTFBBFHHOSV-MNOVXSKESA-N -1 0 320.349 -0.092 20 0 DBADRM CCn1ncc(C(=O)N(CCC(=O)[O-])CC(OC)OC)n1 ZINC001597950101 1017220010 /nfs/dbraw/zinc/22/00/10/1017220010.db2.gz HYNSNSJGXIOFGL-UHFFFAOYSA-N -1 0 300.315 -0.166 20 0 DBADRM CCn1ncc(C[NH2+]CCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001597957292 1017220163 /nfs/dbraw/zinc/22/01/63/1017220163.db2.gz PZWSYRSQNZYJQU-RYUDHWBXSA-N -1 0 309.370 -0.043 20 0 DBADRM CCn1ncc(CN2C(=O)[C@@H]3CC[C@@H](C(=O)[O-])CN3C2=O)n1 ZINC001597957105 1017220195 /nfs/dbraw/zinc/22/01/95/1017220195.db2.gz MDVCMWNJQZVIIS-SCZZXKLOSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1ncc2c1ncn(CCc1cn(CC(=O)[O-])nn1)c2=O ZINC001597960125 1017220282 /nfs/dbraw/zinc/22/02/82/1017220282.db2.gz LBBZUAABIARXBA-UHFFFAOYSA-N -1 0 317.309 -0.468 20 0 DBADRM CCn1nnc(C)c1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001597973048 1017221955 /nfs/dbraw/zinc/22/19/55/1017221955.db2.gz OPAOZUWRGUUSFL-SNVBAGLBSA-N -1 0 302.356 -0.710 20 0 DBADRM CCn1nnc(C)c1CN1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597972638 1017222715 /nfs/dbraw/zinc/22/27/15/1017222715.db2.gz DYKUOHFFNHXRCT-RYUDHWBXSA-N -1 0 321.381 -0.030 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCC[NH2+][C@H](C(=O)[O-])C(C)C ZINC001597981804 1017225249 /nfs/dbraw/zinc/22/52/49/1017225249.db2.gz GEPSFVWRPIZYNX-VIFPVBQESA-N -1 0 313.362 -0.675 20 0 DBADRM CN(C(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597981384 1017225315 /nfs/dbraw/zinc/22/53/15/1017225315.db2.gz CCYJMOPPPKFOML-HGCLJGPKSA-N -1 0 310.350 -0.463 20 0 DBADRM CN(C(=O)NCCn1cc(C(=O)[O-])nn1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC001598050090 1017230632 /nfs/dbraw/zinc/23/06/32/1017230632.db2.gz PSUKQWNSLQBABS-NSHDSACASA-N -1 0 322.369 -0.146 20 0 DBADRM CN(C(=O)Cn1ccnc1)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598041750 1017230929 /nfs/dbraw/zinc/23/09/29/1017230929.db2.gz VRBYQXBZWXSNHD-WDEREUQCSA-N -1 0 306.322 -0.727 20 0 DBADRM CN(C)c1ccc(C(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cn1 ZINC001598312724 1017255700 /nfs/dbraw/zinc/25/57/00/1017255700.db2.gz OGZPWYVHASYLKA-MNOVXSKESA-N -1 0 320.349 -0.286 20 0 DBADRM CN(C[C@@H]1CCC[C@H]1O)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598454223 1017269251 /nfs/dbraw/zinc/26/92/51/1017269251.db2.gz CDGXIZBOESZJAF-SDDRHHMPSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(CCOCCNC(=O)c1cc[nH]c1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598497542 1017289840 /nfs/dbraw/zinc/28/98/40/1017289840.db2.gz HSECUZRIXRYMSG-NEPJUHHUSA-N -1 0 323.349 -0.060 20 0 DBADRM CN(CCNCc1nnnn1C1CC1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598495463 1017290014 /nfs/dbraw/zinc/29/00/14/1017290014.db2.gz LATRBKQBELXNHN-ZJUUUORDSA-N -1 0 308.342 -0.723 20 0 DBADRM CN(CCO)C(=O)C(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001598495318 1017290167 /nfs/dbraw/zinc/29/01/67/1017290167.db2.gz FGYFBIAJSLXUJI-UHFFFAOYSA-N -1 0 322.317 -0.444 20 0 DBADRM CN(CCO)C(=O)C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001598496470 1017290191 /nfs/dbraw/zinc/29/01/91/1017290191.db2.gz LPRLDYHNORBBNI-UHFFFAOYSA-N -1 0 324.308 -0.141 20 0 DBADRM CN(CCOCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1ncc[nH]1 ZINC001598497821 1017292185 /nfs/dbraw/zinc/29/21/85/1017292185.db2.gz LJAYNTNDRMHYAY-NXEZZACHSA-N -1 0 324.337 -0.665 20 0 DBADRM CN(C[C@@H]1CCCCN1C(=O)C(N)=O)c1ccnc(C(=O)[O-])n1 ZINC001598503586 1017292695 /nfs/dbraw/zinc/29/26/95/1017292695.db2.gz NOYXLZQGWMOHHJ-VIFPVBQESA-N -1 0 321.337 -0.523 20 0 DBADRM CN(CCOCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1ccc[nH]1 ZINC001598498438 1017292788 /nfs/dbraw/zinc/29/27/88/1017292788.db2.gz XNHQNTZBLODAFF-QWRGUYRKSA-N -1 0 323.349 -0.060 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001598554333 1017299863 /nfs/dbraw/zinc/29/98/63/1017299863.db2.gz YRFAQHNOHQNWOZ-ONNFQVAWSA-N -1 0 311.323 -0.861 20 0 DBADRM CN1CC(=O)Nc2cc(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])cnc21 ZINC001598560393 1017302519 /nfs/dbraw/zinc/30/25/19/1017302519.db2.gz NAPCHYURSKDDRH-GZMMTYOYSA-N -1 0 320.305 -0.558 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cccn3nccc23)CC1=O ZINC001598562369 1017305503 /nfs/dbraw/zinc/30/55/03/1017305503.db2.gz JSGSSJZGEVAXCH-LLVKDONJSA-N -1 0 302.290 -0.298 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cnn3ccccc23)CC1=O ZINC001598562558 1017306002 /nfs/dbraw/zinc/30/60/02/1017306002.db2.gz BELCDYYYCXQDKI-LLVKDONJSA-N -1 0 302.290 -0.298 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cc3n(n2)CCCO3)CC1=O ZINC001598563403 1017306051 /nfs/dbraw/zinc/30/60/51/1017306051.db2.gz RXKUACOZZBIDSS-VIFPVBQESA-N -1 0 308.294 -0.967 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cc(C(N)=O)cs2)CC1=O ZINC001598563081 1017306089 /nfs/dbraw/zinc/30/60/89/1017306089.db2.gz PRTKAMHEJYOWGL-SSDOTTSWSA-N -1 0 311.319 -0.786 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccn(CC(F)F)n2)CC1=O ZINC001598563020 1017306179 /nfs/dbraw/zinc/30/61/79/1017306179.db2.gz NRRJZJUJLMFWEJ-QMMMGPOBSA-N -1 0 316.264 -0.484 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCC(=O)c3cccn32)CC1=O ZINC001598563472 1017307721 /nfs/dbraw/zinc/30/77/21/1017307721.db2.gz RHQAUOSALLBLIK-WDEREUQCSA-N -1 0 319.317 -0.241 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(CCc2ccc(C(N)=O)cc2)CC1=O ZINC001598564840 1017308098 /nfs/dbraw/zinc/30/80/98/1017308098.db2.gz ZMJHXOHHZIBMOH-GFCCVEGCSA-N -1 0 305.334 -0.445 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCN(C)C1=O ZINC001598588339 1017323045 /nfs/dbraw/zinc/32/30/45/1017323045.db2.gz WKTQONMYTXNNJQ-QMMMGPOBSA-N -1 0 301.324 -0.768 20 0 DBADRM CN1CCC[C@H](OC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1=O ZINC001598593556 1017323971 /nfs/dbraw/zinc/32/39/71/1017323971.db2.gz IVCYWHRMADIPHP-UWVGGRQHSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1CCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)CC1(C)C ZINC001598603345 1017330911 /nfs/dbraw/zinc/33/09/11/1017330911.db2.gz GGLLTSGLOSEETO-UHFFFAOYSA-N -1 0 311.382 -0.092 20 0 DBADRM CN1CCN(C(=O)CS(=O)(=O)C2CC2)C[C@@H](C(=O)[O-])C1 ZINC001598607573 1017338042 /nfs/dbraw/zinc/33/80/42/1017338042.db2.gz QLWXLLZJIWFTGJ-VIFPVBQESA-N -1 0 304.368 -0.962 20 0 DBADRM CN1CCN(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])CC1=O ZINC001598616881 1017345206 /nfs/dbraw/zinc/34/52/06/1017345206.db2.gz ZNYDATSIZDRADF-MJVIPROJSA-N -1 0 309.366 -0.528 20 0 DBADRM CN1CCN(CC(=O)N2CCSC[C@@H]2CC(=O)[O-])CC1=O ZINC001598615646 1017346081 /nfs/dbraw/zinc/34/60/81/1017346081.db2.gz KEEBXKAIDKLSSH-JTQLQIEISA-N -1 0 315.395 -0.821 20 0 DBADRM CN1CCN(CC(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)CC1=O ZINC001598616503 1017346862 /nfs/dbraw/zinc/34/68/62/1017346862.db2.gz UUUXMOXAVFAZNV-AWEZNQCLSA-N -1 0 321.333 -0.592 20 0 DBADRM CN1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@@H]1CO ZINC001598621783 1017352938 /nfs/dbraw/zinc/35/29/38/1017352938.db2.gz WVDPZQUVMRNWGX-MXWKQRLJSA-N -1 0 306.384 -0.822 20 0 DBADRM CN1CCOC[C@@H]1CNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598625254 1017354892 /nfs/dbraw/zinc/35/48/92/1017354892.db2.gz LQPNVHUOTPACCM-SDDRHHMPSA-N -1 0 320.411 -0.120 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])C1 ZINC001598625301 1017355190 /nfs/dbraw/zinc/35/51/90/1017355190.db2.gz JVJTZMBGQPHHGM-NXEZZACHSA-N -1 0 302.327 -0.961 20 0 DBADRM CN1CCN(c2nnnn2[C@@H]2CC=C(C(=O)[O-])C2)CCC1=O ZINC001598623902 1017355299 /nfs/dbraw/zinc/35/52/99/1017355299.db2.gz BUMQJBBDAOQUOD-SNVBAGLBSA-N -1 0 306.326 -0.313 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])C1=O ZINC001598623621 1017355416 /nfs/dbraw/zinc/35/54/16/1017355416.db2.gz LQPMCYVJWNVTFT-VXGBXAGGSA-N -1 0 324.308 -0.205 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@H]2COCCN2C)cc1C(=O)[O-] ZINC001598625736 1017355468 /nfs/dbraw/zinc/35/54/68/1017355468.db2.gz RKKROAYLBZQIKC-VIFPVBQESA-N -1 0 317.367 -0.668 20 0 DBADRM CN1CCO[C@H](C(=O)N2CCc3ccc(C(=O)[O-])nc3C2)C1=O ZINC001598624182 1017355554 /nfs/dbraw/zinc/35/55/54/1017355554.db2.gz DTWMZUKNGZPCTA-LBPRGKRZSA-N -1 0 319.317 -0.478 20 0 DBADRM CN1CCN(c2nnnn2[C@H]2CC=C(C(=O)[O-])C2)CCC1=O ZINC001598623900 1017355867 /nfs/dbraw/zinc/35/58/67/1017355867.db2.gz BUMQJBBDAOQUOD-JTQLQIEISA-N -1 0 306.326 -0.313 20 0 DBADRM CN1CCOC[C@@]1(CO)CNC(=O)NCC(C)(C)CC(=O)[O-] ZINC001598623236 1017356661 /nfs/dbraw/zinc/35/66/61/1017356661.db2.gz BKVFABZSTBAXAC-AWEZNQCLSA-N -1 0 317.386 -0.520 20 0 DBADRM CN1CCn2nc(NC(=O)Cn3ccc(C(=O)[O-])n3)cc2C1 ZINC001598628209 1017357979 /nfs/dbraw/zinc/35/79/79/1017357979.db2.gz NHHJBVZDQOGPKZ-UHFFFAOYSA-N -1 0 304.310 -0.138 20 0 DBADRM CN1Cc2c(cccc2NC(=O)NCC(=O)NCC(=O)[O-])C1=O ZINC001598630531 1017358075 /nfs/dbraw/zinc/35/80/75/1017358075.db2.gz PBLYJEIAYVABIB-UHFFFAOYSA-N -1 0 320.305 -0.406 20 0 DBADRM CN=[S@@](C)(=O)CCNC(=O)COCc1ocnc1C(=O)[O-] ZINC001598633424 1017360642 /nfs/dbraw/zinc/36/06/42/1017360642.db2.gz OTGKNMYVZCSWNB-NRFANRHFSA-N -1 0 319.339 -0.267 20 0 DBADRM CNC(=O)C1(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)CC1 ZINC001598632740 1017361297 /nfs/dbraw/zinc/36/12/97/1017361297.db2.gz PNJNNZXVVKERTB-UHFFFAOYSA-N -1 0 309.322 -0.265 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001598633565 1017361348 /nfs/dbraw/zinc/36/13/48/1017361348.db2.gz PYFSXWIMXDUUPU-VHSXEESVSA-N -1 0 319.365 -0.076 20 0 DBADRM CNC(=O)[C@H]1CCCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001598635312 1017361626 /nfs/dbraw/zinc/36/16/26/1017361626.db2.gz JQCOKWRINYNATN-LLVKDONJSA-N -1 0 321.333 -0.326 20 0 DBADRM CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001598636673 1017361793 /nfs/dbraw/zinc/36/17/93/1017361793.db2.gz ZOLHSDJBYXKEDM-LMLFDSFASA-N -1 0 313.354 -0.215 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001598632372 1017361829 /nfs/dbraw/zinc/36/18/29/1017361829.db2.gz FTRJEESKKCUGGJ-VIFPVBQESA-N -1 0 323.353 -0.792 20 0 DBADRM CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001598636680 1017362065 /nfs/dbraw/zinc/36/20/65/1017362065.db2.gz ZOLHSDJBYXKEDM-YTWAJWBKSA-N -1 0 313.354 -0.215 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)CCO1 ZINC001598636736 1017363383 /nfs/dbraw/zinc/36/33/83/1017363383.db2.gz AXNHFONVHUNQSY-JOAKQRRISA-N -1 0 308.290 -0.036 20 0 DBADRM CNC(=O)CN1CCCN(c2nc(C)cc(C(=O)[O-])n2)CC1 ZINC001598641656 1017363407 /nfs/dbraw/zinc/36/34/07/1017363407.db2.gz AJDFFXKGTITSGX-UHFFFAOYSA-N -1 0 307.354 -0.259 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598639942 1017363575 /nfs/dbraw/zinc/36/35/75/1017363575.db2.gz OAPUEYNYFURDSH-BDAKNGLRSA-N -1 0 324.341 -0.543 20 0 DBADRM CNC(=O)CCCC(=O)N(C)CCNc1ncc(C(=O)[O-])cn1 ZINC001598640704 1017363983 /nfs/dbraw/zinc/36/39/83/1017363983.db2.gz OLOLCQFFDWRYIH-UHFFFAOYSA-N -1 0 323.353 -0.039 20 0 DBADRM CNC(=O)C1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001598639361 1017364653 /nfs/dbraw/zinc/36/46/53/1017364653.db2.gz TVKHZTGYDFKZTO-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM CNC(=O)C1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC001598639198 1017364823 /nfs/dbraw/zinc/36/48/23/1017364823.db2.gz RRAJHENCCCNOEY-UHFFFAOYSA-N -1 0 319.317 -0.543 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)CCO1 ZINC001598636739 1017364966 /nfs/dbraw/zinc/36/49/66/1017364966.db2.gz AXNHFONVHUNQSY-TZNOJPMFSA-N -1 0 308.290 -0.036 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001598642340 1017365692 /nfs/dbraw/zinc/36/56/92/1017365692.db2.gz PIRJEHBROJIHHF-UHFFFAOYSA-N -1 0 318.326 -0.181 20 0 DBADRM CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)c1nc[nH]n1 ZINC001598646731 1017365709 /nfs/dbraw/zinc/36/57/09/1017365709.db2.gz PABSFRVRECCEME-UHFFFAOYSA-N -1 0 319.277 -0.120 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC001598644455 1017366427 /nfs/dbraw/zinc/36/64/27/1017366427.db2.gz AKETZOCRIGQKPW-UHFFFAOYSA-N -1 0 315.232 -0.536 20 0 DBADRM CNC(=O)CN1CCN(C(=O)Nc2nn(C)cc2C(=O)[O-])CC1 ZINC001598642413 1017366451 /nfs/dbraw/zinc/36/64/51/1017366451.db2.gz JJCDWCWAYASAMP-UHFFFAOYSA-N -1 0 324.341 -0.986 20 0 DBADRM CNC(=O)CN1CCN(c2ccc(C(=O)[O-])c(OC)n2)CC1 ZINC001598644517 1017366527 /nfs/dbraw/zinc/36/65/27/1017366527.db2.gz DZTVXCLISHYGLJ-UHFFFAOYSA-N -1 0 308.338 -0.344 20 0 DBADRM CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC001598645167 1017366785 /nfs/dbraw/zinc/36/67/85/1017366785.db2.gz RWONQIRNJNERRE-UHFFFAOYSA-N -1 0 304.299 -0.143 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001598643352 1017366810 /nfs/dbraw/zinc/36/68/10/1017366810.db2.gz YPFHDUWQHKFJKJ-UHFFFAOYSA-N -1 0 324.337 -0.736 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC001598642042 1017366842 /nfs/dbraw/zinc/36/68/42/1017366842.db2.gz HRONBXGQNFCILY-UHFFFAOYSA-N -1 0 313.335 -0.021 20 0 DBADRM CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001598644454 1017367259 /nfs/dbraw/zinc/36/72/59/1017367259.db2.gz AJLHDANDGDQTJV-UHFFFAOYSA-N -1 0 304.299 -0.143 20 0 DBADRM CNC(=O)Cc1noc(Cn2nc(C(=O)OC)cc2C(=O)[O-])n1 ZINC001598648209 1017368138 /nfs/dbraw/zinc/36/81/38/1017368138.db2.gz FKHGBLQDUPNFTL-UHFFFAOYSA-N -1 0 323.265 -0.912 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)c2ccnc(C(=O)[O-])c2)CCO1 ZINC001598650978 1017368259 /nfs/dbraw/zinc/36/82/59/1017368259.db2.gz GYJJQUFAKWZTFZ-JTQLQIEISA-N -1 0 322.321 -0.450 20 0 DBADRM CNC(=O)Cc1noc(CN(CCOC)CCC(=O)[O-])n1 ZINC001598648523 1017368275 /nfs/dbraw/zinc/36/82/75/1017368275.db2.gz LQUIHMPOQCFXDM-UHFFFAOYSA-N -1 0 300.315 -0.719 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)c2ccnc(C(=O)[O-])c2)n1 ZINC001598648765 1017368481 /nfs/dbraw/zinc/36/84/81/1017368481.db2.gz UTIHYLLSZAMFNI-UHFFFAOYSA-N -1 0 320.261 -0.192 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=S)NCCCC(=O)[O-])CCO1 ZINC001598651402 1017369515 /nfs/dbraw/zinc/36/95/15/1017369515.db2.gz JOYVKGLQDLDHLS-VIFPVBQESA-N -1 0 318.399 -0.645 20 0 DBADRM CNC(=O)Cc1nc(CN2CCC[C@H](O)[C@H]2C(=O)[O-])cs1 ZINC001598648735 1017369947 /nfs/dbraw/zinc/36/99/47/1017369947.db2.gz SSLSWWXKQWEJNT-CABZTGNLSA-N -1 0 313.379 -0.159 20 0 DBADRM CNC(=O)NC[C@@H]1CN(Cc2ccc(C(=O)[O-])n2C)CCO1 ZINC001598653923 1017371338 /nfs/dbraw/zinc/37/13/38/1017371338.db2.gz WGJPYUHQMPQEDW-LLVKDONJSA-N -1 0 310.354 -0.147 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C)sc1C(=O)[O-] ZINC001598654054 1017371452 /nfs/dbraw/zinc/37/14/52/1017371452.db2.gz BEBDTDBCGHYQLM-ZCFIWIBFSA-N -1 0 313.335 -0.056 20 0 DBADRM CNC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](CCC(=O)[O-])O2)CC1 ZINC001598652789 1017371982 /nfs/dbraw/zinc/37/19/82/1017371982.db2.gz VWWVUUVTCACHPM-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001598654721 1017372008 /nfs/dbraw/zinc/37/20/08/1017372008.db2.gz VDMLOUVSMRKATR-SFYZADRCSA-N -1 0 317.342 -0.395 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001598655549 1017372087 /nfs/dbraw/zinc/37/20/87/1017372087.db2.gz BUBOBODKGMQPPP-LURJTMIESA-N -1 0 311.269 -0.287 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccoc1CC(=O)[O-] ZINC001598656010 1017374136 /nfs/dbraw/zinc/37/41/36/1017374136.db2.gz REVODMNHRSIBLE-JTQLQIEISA-N -1 0 320.305 -0.283 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)n1 ZINC001598659830 1017374361 /nfs/dbraw/zinc/37/43/61/1017374361.db2.gz XZIOBQZTJFDDAK-LDYMZIIASA-N -1 0 307.306 -0.245 20 0 DBADRM CN[C@@H](C(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F)c1cnn(C)c1 ZINC001598661356 1017375095 /nfs/dbraw/zinc/37/50/95/1017375095.db2.gz CYCGAWKVKCGESV-IWSPIJDZSA-N -1 0 302.281 -0.237 20 0 DBADRM CNC(=O)c1cccc(N(C)C(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC001598660899 1017375370 /nfs/dbraw/zinc/37/53/70/1017375370.db2.gz VFKNBNYSWPUXIW-UHFFFAOYSA-N -1 0 317.305 -0.001 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001598655939 1017375470 /nfs/dbraw/zinc/37/54/70/1017375470.db2.gz ODOPKJMBJXTQLA-QMMMGPOBSA-N -1 0 307.306 -0.118 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001598661379 1017375974 /nfs/dbraw/zinc/37/59/74/1017375974.db2.gz FCUBHBBJISNKJG-SNVBAGLBSA-N -1 0 300.250 -0.805 20 0 DBADRM CN[C@H](C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1)c1cnn(C)c1 ZINC001598661547 1017375998 /nfs/dbraw/zinc/37/59/98/1017375998.db2.gz HIDWFVNUQLGUNE-USWWRNFRSA-N -1 0 310.354 -0.466 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001598656385 1017376154 /nfs/dbraw/zinc/37/61/54/1017376154.db2.gz BJXVJXVESVWQDZ-WDEREUQCSA-N -1 0 307.306 -0.509 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001598669400 1017379579 /nfs/dbraw/zinc/37/95/79/1017379579.db2.gz MOPROYZWJSKEAQ-UHFFFAOYSA-N -1 0 315.351 -0.133 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(Cc2ncc(C(=O)[O-])s2)C1 ZINC001598669098 1017380131 /nfs/dbraw/zinc/38/01/31/1017380131.db2.gz IOBSJYJGIBKZKG-ZETCQYMHSA-N -1 0 305.381 -0.035 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](CCC(=O)[O-])C(=O)OC ZINC001598670494 1017380780 /nfs/dbraw/zinc/38/07/80/1017380780.db2.gz FWENCHXMVYWSGI-UWVGGRQHSA-N -1 0 322.383 -0.594 20 0 DBADRM CNS(=O)(=O)NCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001598670407 1017380819 /nfs/dbraw/zinc/38/08/19/1017380819.db2.gz DMVYUQZRJRQVCS-KXUCPTDWSA-N -1 0 319.383 -0.858 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC001598670018 1017381034 /nfs/dbraw/zinc/38/10/34/1017381034.db2.gz WOIKFPNPAZWWNK-SECBINFHSA-N -1 0 300.340 -0.702 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN([C@@H](CCC(=O)[O-])C(=O)OC)C1 ZINC001598669317 1017381157 /nfs/dbraw/zinc/38/11/57/1017381157.db2.gz LQPYFQCSXRQCDA-UWVGGRQHSA-N -1 0 322.383 -0.594 20 0 DBADRM CNS(=O)(=O)NCC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001598671416 1017381701 /nfs/dbraw/zinc/38/17/01/1017381701.db2.gz QCYYSTKDNDSRRS-UHFFFAOYSA-N -1 0 321.399 -0.418 20 0 DBADRM CNS(=O)(=O)N1CCN([C@H](C)c2nc(C(=O)[O-])co2)CC1 ZINC001598672274 1017381860 /nfs/dbraw/zinc/38/18/60/1017381860.db2.gz VSPMCBHZNDBQGS-MRVPVSSYSA-N -1 0 318.355 -0.484 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001598671888 1017383223 /nfs/dbraw/zinc/38/32/23/1017383223.db2.gz VNDCKLKCVNVPBT-JTQLQIEISA-N -1 0 307.372 -0.810 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001598671077 1017382029 /nfs/dbraw/zinc/38/20/29/1017382029.db2.gz NCCDUYSGVHLBTB-JLIMDTESSA-N -1 0 307.372 -0.810 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001598672296 1017383054 /nfs/dbraw/zinc/38/30/54/1017383054.db2.gz XSSCAIMNNXZGHY-MXWKQRLJSA-N -1 0 318.395 -0.115 20 0 DBADRM CNS(=O)(=O)CCNC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001598671564 1017383651 /nfs/dbraw/zinc/38/36/51/1017383651.db2.gz GDQQMBWOFMHIGE-UHFFFAOYSA-N -1 0 321.380 -0.205 20 0 DBADRM CNc1nc(C)cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])n1 ZINC001598680899 1017384556 /nfs/dbraw/zinc/38/45/56/1017384556.db2.gz DTJPVLGVEUXHIK-JTQLQIEISA-N -1 0 304.310 -0.024 20 0 DBADRM CNS(=O)(=O)c1ccc(N2CC[C@@](O)(C(=O)[O-])C2)cc1 ZINC001598675342 1017384768 /nfs/dbraw/zinc/38/47/68/1017384768.db2.gz QEICVSRDIPERML-LBPRGKRZSA-N -1 0 300.336 -0.380 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)N[C@H](COC)C(=O)[O-])c1 ZINC001598677124 1017385576 /nfs/dbraw/zinc/38/55/76/1017385576.db2.gz GJGNTNZTIKODDZ-SSDOTTSWSA-N -1 0 322.364 -0.514 20 0 DBADRM COC(=O)C(C)(C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598685837 1017387380 /nfs/dbraw/zinc/38/73/80/1017387380.db2.gz KBSQMAXRLXUUMJ-MRVPVSSYSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)C(C)(C)n1ccc(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])n1 ZINC001598686194 1017388545 /nfs/dbraw/zinc/38/85/45/1017388545.db2.gz SXEFWRJLJXYJGE-QMMMGPOBSA-N -1 0 312.326 -0.078 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001598687999 1017388984 /nfs/dbraw/zinc/38/89/84/1017388984.db2.gz LGRFQWMVYLSEQQ-OPRDCNLKSA-N -1 0 323.367 -0.263 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001598688002 1017389165 /nfs/dbraw/zinc/38/91/65/1017389165.db2.gz LGRFQWMVYLSEQQ-UTLUCORTSA-N -1 0 323.367 -0.263 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001598688815 1017389190 /nfs/dbraw/zinc/38/91/90/1017389190.db2.gz SBJLRUYRSQBHMQ-KWQFWETISA-N -1 0 309.340 -0.699 20 0 DBADRM CNc1nnc(CC(=O)N[C@@]2(CC(=O)[O-])CCOC2)s1 ZINC001598682328 1017389271 /nfs/dbraw/zinc/38/92/71/1017389271.db2.gz FNAFUMWZFSYJAU-LLVKDONJSA-N -1 0 300.340 -0.128 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)Cc1noc(CCC(=O)[O-])n1 ZINC001598688760 1017389381 /nfs/dbraw/zinc/38/93/81/1017389381.db2.gz RGMDANOLVNUBKU-ZETCQYMHSA-N -1 0 320.323 -0.189 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc2c(cn1)OCCO2 ZINC001598692833 1017390215 /nfs/dbraw/zinc/39/02/15/1017390215.db2.gz OELPHLGNKJVGGR-MRVPVSSYSA-N -1 0 310.262 -0.401 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(C)cnc1N ZINC001598694574 1017390255 /nfs/dbraw/zinc/39/02/55/1017390255.db2.gz KMXFPONHOMYOSG-ZETCQYMHSA-N -1 0 317.323 -0.733 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001598694404 1017390277 /nfs/dbraw/zinc/39/02/77/1017390277.db2.gz MRLXLNNGSDJUMO-VHSXEESVSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)Cc1cnn2c1CCCC2 ZINC001598693388 1017390424 /nfs/dbraw/zinc/39/04/24/1017390424.db2.gz MYDSVTDFLYWDKA-JTQLQIEISA-N -1 0 309.322 -0.106 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001598692878 1017390602 /nfs/dbraw/zinc/39/06/02/1017390602.db2.gz FIVKLDFGMMTAHC-NXEZZACHSA-N -1 0 314.338 -0.377 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)C1CCN(C(=O)OC)CC1 ZINC001598692285 1017390665 /nfs/dbraw/zinc/39/06/65/1017390665.db2.gz BUINWSSYIYJSOQ-SECBINFHSA-N -1 0 316.310 -0.403 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC[C@@H]1CCOC1 ZINC001598694668 1017391154 /nfs/dbraw/zinc/39/11/54/1017391154.db2.gz MORYSRDRXMXDQK-NXEZZACHSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)[C@H](CC(F)F)NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001598699544 1017392111 /nfs/dbraw/zinc/39/21/11/1017392111.db2.gz VQLIJIPZBDQFPF-YFKPBYRVSA-N -1 0 306.225 -0.711 20 0 DBADRM COC(=O)[C@@H](CF)NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001598699835 1017392541 /nfs/dbraw/zinc/39/25/41/1017392541.db2.gz SZGBKGLOVPUMDP-SSDOTTSWSA-N -1 0 308.287 -0.487 20 0 DBADRM COC(=O)[C@H](CC1CC1)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001598696583 1017392972 /nfs/dbraw/zinc/39/29/72/1017392972.db2.gz FEFIZTZCYVZWLH-VIFPVBQESA-N -1 0 308.356 -0.431 20 0 DBADRM COC(=O)[C@H](CCF)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001598699059 1017393781 /nfs/dbraw/zinc/39/37/81/1017393781.db2.gz OARKBPNJBLQXPP-ZETCQYMHSA-N -1 0 308.287 -0.108 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC001598695875 1017393303 /nfs/dbraw/zinc/39/33/03/1017393303.db2.gz ZWQHOYDQIBFLBJ-CBAPKCEASA-N -1 0 312.278 -0.470 20 0 DBADRM COC(=O)[C@H](CCC1OCCO1)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001598697761 1017393855 /nfs/dbraw/zinc/39/38/55/1017393855.db2.gz HOQJHNQTHNXXHK-AEJSXWLSSA-N -1 0 315.322 -0.092 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001598694887 1017393883 /nfs/dbraw/zinc/39/38/83/1017393883.db2.gz PIMNPDHMXJRPDG-WPRPVWTQSA-N -1 0 309.322 -0.343 20 0 DBADRM COC(=O)[C@]1(C(=O)NC[C@H](O)C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598717121 1017395467 /nfs/dbraw/zinc/39/54/67/1017395467.db2.gz ZIWJPTLUFBFYQV-JRPNMDOOSA-N -1 0 307.302 -0.105 20 0 DBADRM COC(=O)C1(C(=O)COC(=O)c2nccnc2C(=O)[O-])CC1 ZINC001598716568 1017395884 /nfs/dbraw/zinc/39/58/84/1017395884.db2.gz MZQAYNWXGLSGNS-UHFFFAOYSA-N -1 0 308.246 -0.146 20 0 DBADRM COC(=O)[C@]1(C(=O)N[C@@H](CO)C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598716766 1017395943 /nfs/dbraw/zinc/39/59/43/1017395943.db2.gz SVUPXBSOUZRZPC-ZIBATOQPSA-N -1 0 307.302 -0.105 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001598703359 1017396708 /nfs/dbraw/zinc/39/67/08/1017396708.db2.gz DZAKDURBGVIJPT-VIFPVBQESA-N -1 0 321.282 -0.664 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)C1CC1 ZINC001598712012 1017396870 /nfs/dbraw/zinc/39/68/70/1017396870.db2.gz IAHKPHHKDYUDLD-SNVBAGLBSA-N -1 0 316.335 -0.047 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CCO[C@H](CNC(C)=O)C1 ZINC001598700392 1017397332 /nfs/dbraw/zinc/39/73/32/1017397332.db2.gz VRVGWVHNWLTZQG-MNOVXSKESA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CCc2nn(C)c(=O)cc2C1 ZINC001598700344 1017397374 /nfs/dbraw/zinc/39/73/74/1017397374.db2.gz VKNNJLTWPQNKCN-NSHDSACASA-N -1 0 309.322 -0.455 20 0 DBADRM COC(=O)[C@@]1(CNC(=O)CCSCC(=O)[O-])CCOC1 ZINC001598720091 1017398049 /nfs/dbraw/zinc/39/80/49/1017398049.db2.gz IMKKFBMLOUFVOH-GFCCVEGCSA-N -1 0 305.352 -0.110 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC001598719400 1017398098 /nfs/dbraw/zinc/39/80/98/1017398098.db2.gz BLWSVPHMDRHXDK-MRVPVSSYSA-N -1 0 307.324 -0.945 20 0 DBADRM COC(=O)[C@]1(C)C[C@H](OC)CN1CCC(=O)N(C)CC(=O)[O-] ZINC001598719371 1017398257 /nfs/dbraw/zinc/39/82/57/1017398257.db2.gz XYQIUFSZQUXMBF-HZMBPMFUSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])CC1 ZINC001598720078 1017398441 /nfs/dbraw/zinc/39/84/41/1017398441.db2.gz PKFQXXNDANHXFN-IUCAKERBSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)[C@]1(C)CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001598717857 1017399097 /nfs/dbraw/zinc/39/90/97/1017399097.db2.gz JEJDQJQKMYAZQT-LLVKDONJSA-N -1 0 318.307 -0.054 20 0 DBADRM COC(=O)C1(O)CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1 ZINC001598724228 1017399349 /nfs/dbraw/zinc/39/93/49/1017399349.db2.gz JYKNWACPOJAHHI-DTWKUNHWSA-N -1 0 301.295 -0.855 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])CC1 ZINC001598720074 1017399493 /nfs/dbraw/zinc/39/94/93/1017399493.db2.gz PKFQXXNDANHXFN-BDAKNGLRSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)C1(CNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CC1 ZINC001598720644 1017399507 /nfs/dbraw/zinc/39/95/07/1017399507.db2.gz XKTRMCQUAMNRRY-UHFFFAOYSA-N -1 0 324.293 -0.874 20 0 DBADRM COC(=O)[C@]1(CNC(=O)Nc2ccc(C(=O)[O-])nn2)CCOC1 ZINC001598720516 1017399796 /nfs/dbraw/zinc/39/97/96/1017399796.db2.gz PKEUWTIYXWAMRA-ZDUSSCGKSA-N -1 0 324.293 -0.124 20 0 DBADRM COC(=O)[C@@]1(OC)CCN(C(=O)NC/C=C(\C)C(=O)[O-])C1 ZINC001598726422 1017400986 /nfs/dbraw/zinc/40/09/86/1017400986.db2.gz SZWVCMWTLXMQIV-QGQQYVBWSA-N -1 0 300.311 -0.009 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])CCC1 ZINC001598726442 1017401520 /nfs/dbraw/zinc/40/15/20/1017401520.db2.gz UJROXOPMUIVWGJ-BDAKNGLRSA-N -1 0 321.351 -0.678 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)Nc2cc(C(=O)[O-])nn2C)C1 ZINC001598725142 1017401693 /nfs/dbraw/zinc/40/16/93/1017401693.db2.gz VTGIOXHORLDJRS-LBPRGKRZSA-N -1 0 312.282 -0.740 20 0 DBADRM COC(=O)[C@]1(NS(=O)(=O)C2(C(=O)[O-])CCC2)CCSC1 ZINC001598725331 1017401751 /nfs/dbraw/zinc/40/17/51/1017401751.db2.gz KDKOVWVDHOPNRM-JTQLQIEISA-N -1 0 323.392 -0.038 20 0 DBADRM COC(=O)C12CC(C1)CN2S(=O)(=O)N(C)CCC(=O)[O-] ZINC001598727686 1017401843 /nfs/dbraw/zinc/40/18/43/1017401843.db2.gz ZYLLIERLSIKXEU-UHFFFAOYSA-N -1 0 306.340 -0.725 20 0 DBADRM COC(=O)[C@]1(O)CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001598725152 1017401986 /nfs/dbraw/zinc/40/19/86/1017401986.db2.gz VXJHPMLZLRVVFL-HNNXBMFYSA-N -1 0 322.317 -0.067 20 0 DBADRM COC(=O)[C@@]1(OC)CCN([C@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001598726468 1017402035 /nfs/dbraw/zinc/40/20/35/1017402035.db2.gz VKUBMHGYPMUCNO-IINYFYTJSA-N -1 0 314.338 -0.674 20 0 DBADRM COC(=O)C1(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)CCC1 ZINC001598726380 1017402261 /nfs/dbraw/zinc/40/22/61/1017402261.db2.gz SCWWXHOJYAMEJU-UHFFFAOYSA-N -1 0 321.351 -0.365 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@@H](C)S(C)(=O)=O ZINC001598741763 1017403188 /nfs/dbraw/zinc/40/31/88/1017403188.db2.gz INTFCXZCCCJUEK-VGMNWLOBSA-N -1 0 321.351 -0.716 20 0 DBADRM CC(=O)N(CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC001497516023 1017403603 /nfs/dbraw/zinc/40/36/03/1017403603.db2.gz VTKPPOLCXJBTTB-UHFFFAOYSA-N -1 0 318.337 -0.802 20 0 DBADRM COC(=O)[C@@H]1[C@H](O)CCCN1S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001598745052 1017403746 /nfs/dbraw/zinc/40/37/46/1017403746.db2.gz RFFUPHCBGZAZNR-YIZRAAEISA-N -1 0 309.340 -0.965 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H]1CCC(=O)N1C ZINC001598743729 1017404089 /nfs/dbraw/zinc/40/40/89/1017404089.db2.gz DWYSLAUTZQBCRI-BBBLOLIVSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)Cc1cnn(C)c1 ZINC001598745207 1017405056 /nfs/dbraw/zinc/40/50/56/1017405056.db2.gz KMLXECKHQQDGIM-QWRGUYRKSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCCCC(N)=O ZINC001598748111 1017405121 /nfs/dbraw/zinc/40/51/21/1017405121.db2.gz DPKIKXZUXNAXHF-NXEZZACHSA-N -1 0 314.338 -0.103 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)Cc1nnc(C)o1 ZINC001598745352 1017405194 /nfs/dbraw/zinc/40/51/94/1017405194.db2.gz LPGMCPWMFNRFDJ-DTWKUNHWSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C[C@@H](C)NC(N)=O ZINC001598748254 1017405411 /nfs/dbraw/zinc/40/54/11/1017405411.db2.gz GMRLFZQWKOGYGN-HLTSFMKQSA-N -1 0 315.326 -0.702 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cc1ccn(C)n1 ZINC001598747396 1017405824 /nfs/dbraw/zinc/40/58/24/1017405824.db2.gz YSDSGLLZQFQBFM-KOLCDFICSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001598757684 1017407055 /nfs/dbraw/zinc/40/70/55/1017407055.db2.gz QAAQYWNULXFCQM-NXEZZACHSA-N -1 0 308.290 -0.224 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C[C@H](O)Cn1cccn1 ZINC001598755202 1017407634 /nfs/dbraw/zinc/40/76/34/1017407634.db2.gz ZPLHVJCTNXKHPT-SRVKXCTJSA-N -1 0 311.338 -0.418 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)Nc2ccc(C(=O)[O-])nn2)C1 ZINC001598759516 1017407693 /nfs/dbraw/zinc/40/76/93/1017407693.db2.gz XRGBARBELPRQBI-SFYZADRCSA-N -1 0 324.293 -0.438 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCc1cn(C)nn1 ZINC001598752944 1017407714 /nfs/dbraw/zinc/40/77/14/1017407714.db2.gz ZFBBOXIPWNOBRF-MWLCHTKSSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C[C@@H](O)Cn1cccn1 ZINC001598755205 1017407787 /nfs/dbraw/zinc/40/77/87/1017407787.db2.gz ZPLHVJCTNXKHPT-UTUOFQBUSA-N -1 0 311.338 -0.418 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H](O)c1ccccn1 ZINC001598752367 1017408012 /nfs/dbraw/zinc/40/80/12/1017408012.db2.gz XLSFVCLTSDKZMI-ADEWGFFLSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H](O)c1cccnc1 ZINC001598762188 1017408075 /nfs/dbraw/zinc/40/80/75/1017408075.db2.gz HSEMTZPPYNWMCR-SRVKXCTJSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)C(=O)NCC(F)F ZINC001598761112 1017408239 /nfs/dbraw/zinc/40/82/39/1017408239.db2.gz UDCMYCHRWFTNEL-BQBZGAKWSA-N -1 0 322.264 -0.768 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@@H](O)c1ccccn1 ZINC001598752369 1017408280 /nfs/dbraw/zinc/40/82/80/1017408280.db2.gz XLSFVCLTSDKZMI-DLOVCJGASA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1Cc1noc(CCCC(=O)[O-])n1 ZINC001598757983 1017408300 /nfs/dbraw/zinc/40/83/00/1017408300.db2.gz RJQHBPJZBIGNIS-BDAKNGLRSA-N -1 0 313.310 -0.415 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001598758259 1017408386 /nfs/dbraw/zinc/40/83/86/1017408386.db2.gz SDWFSBHDLOEMFH-KYXWUPHJSA-N -1 0 321.351 -0.965 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1nonc1C ZINC001598764914 1017409248 /nfs/dbraw/zinc/40/92/48/1017409248.db2.gz FVKMIBYXIFEYIV-PSASIEDQSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CC1OCCO1 ZINC001598763363 1017409699 /nfs/dbraw/zinc/40/96/99/1017409699.db2.gz QPAQTPXCRIFKRS-DTWKUNHWSA-N -1 0 301.295 -0.386 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)C1CN(C(C)=O)C1 ZINC001598763905 1017409833 /nfs/dbraw/zinc/40/98/33/1017409833.db2.gz WMWSOGQGSNPWBA-ONGXEEELSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C1CN(C(C)=O)C1 ZINC001598763902 1017410078 /nfs/dbraw/zinc/41/00/78/1017410078.db2.gz WMWSOGQGSNPWBA-GXSJLCMTSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1cncn1C ZINC001598767525 1017410343 /nfs/dbraw/zinc/41/03/43/1017410343.db2.gz NIOIUMUEUGAAFB-ONGXEEELSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C[C@@H](O)C1(O)CCC1 ZINC001598768222 1017410502 /nfs/dbraw/zinc/41/05/02/1017410502.db2.gz LFKTXFPBYBPAQU-GARJFASQSA-N -1 0 301.339 -0.400 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N1CCOCC1 ZINC001598765253 1017410556 /nfs/dbraw/zinc/41/05/56/1017410556.db2.gz AHDDDAUENMZPFB-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(OC)nn1 ZINC001598773168 1017412252 /nfs/dbraw/zinc/41/22/52/1017412252.db2.gz YXVBDRZOOSQSQA-SCZZXKLOSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1ccn(C)n1 ZINC001598771086 1017412276 /nfs/dbraw/zinc/41/22/76/1017412276.db2.gz YGHKMPIDQMLKGC-ONGXEEELSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cn2nccc2N)C1 ZINC001598774000 1017413658 /nfs/dbraw/zinc/41/36/58/1017413658.db2.gz OXVWJUPRJRMLJU-BDAKNGLRSA-N -1 0 310.310 -0.670 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cn(C)ccc1=O ZINC001598774603 1017415047 /nfs/dbraw/zinc/41/50/47/1017415047.db2.gz ZIHMIPJSRPQTEE-KOLCDFICSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001598783455 1017416080 /nfs/dbraw/zinc/41/60/80/1017416080.db2.gz YOAYQNWYXPMBTP-IVZWLZJFSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)C1CCC(NC(=O)c2cnn(C)n2)(C(=O)[O-])CC1 ZINC001598784673 1017416146 /nfs/dbraw/zinc/41/61/46/1017416146.db2.gz OAKILSKMPWTYII-UHFFFAOYSA-N -1 0 310.310 -0.269 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)C2CN(C(C)=O)C2)C1 ZINC001598782680 1017416331 /nfs/dbraw/zinc/41/63/31/1017416331.db2.gz QVSDZJVMWOTRHR-KOLCDFICSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2nnn(C)c2C)C1 ZINC001598779838 1017416642 /nfs/dbraw/zinc/41/66/42/1017416642.db2.gz QBNFNIQPNNFXQW-DTWKUNHWSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(CC(=O)N2CCOCC2)C1 ZINC001598782641 1017416805 /nfs/dbraw/zinc/41/68/05/1017416805.db2.gz ZPJDNDQCKWXLSI-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCc2cn(C)nn2)C1 ZINC001598777606 1017417247 /nfs/dbraw/zinc/41/72/47/1017417247.db2.gz QYJHJNYXRLUART-MWLCHTKSSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)C(=O)c2cnn(C)c2)C1 ZINC001598780798 1017417258 /nfs/dbraw/zinc/41/72/58/1017417258.db2.gz LAZYDAKIGUBJIK-WPRPVWTQSA-N -1 0 323.305 -0.532 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)CN(C)C(=O)OC)C1 ZINC001598779215 1017417686 /nfs/dbraw/zinc/41/76/86/1017417686.db2.gz VZZDWUURDTURQB-DTWKUNHWSA-N -1 0 316.310 -0.451 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)N(C)C(C)C)C[C@@H]1C(=O)[O-] ZINC001598824577 1017436450 /nfs/dbraw/zinc/43/64/50/1017436450.db2.gz HPKBGLJELCAFHO-DTWKUNHWSA-N -1 0 308.356 -0.623 20 0 DBADRM COC(=O)C1CCC(NS(=O)(=O)N2CCC2)(C(=O)[O-])CC1 ZINC001598786867 1017417854 /nfs/dbraw/zinc/41/78/54/1017417854.db2.gz GAKJUFSPRMNWHC-UHFFFAOYSA-N -1 0 320.367 -0.287 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H](C)S(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC001598788989 1017418333 /nfs/dbraw/zinc/41/83/33/1017418333.db2.gz JDPAGBMVIBWLEA-YIZRAAEISA-N -1 0 321.351 -0.716 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)OC/C=C(\C)C(=O)[O-])C1=O ZINC001598788643 1017418358 /nfs/dbraw/zinc/41/83/58/1017418358.db2.gz GRQYQOJIKDUOGF-NAZIUFLLSA-N -1 0 313.306 -0.028 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NCC2CC2)[C@@H](C(=O)[O-])C1 ZINC001598790991 1017418459 /nfs/dbraw/zinc/41/84/59/1017418459.db2.gz TWRJTKWBIHFGFS-NXEZZACHSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H](O)c2ccccn2)[C@@H](C(=O)[O-])C1 ZINC001598790699 1017418648 /nfs/dbraw/zinc/41/86/48/1017418648.db2.gz RCMGWIGUDQVQRI-JLLWLGSASA-N -1 0 322.317 -0.020 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)c1cc[nH]c(=O)c1 ZINC001497555846 1017418748 /nfs/dbraw/zinc/41/87/48/1017418748.db2.gz CMZLOEZMODIVDP-OWOJBTEDSA-N -1 0 304.310 -0.313 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)O[C@H](C(=O)[O-])C2CC2)C1=O ZINC001598789299 1017419132 /nfs/dbraw/zinc/41/91/32/1017419132.db2.gz LFASATKPGKKWCI-KOLCDFICSA-N -1 0 313.306 -0.196 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)NCC2(C(=O)[O-])CC2)C1=O ZINC001598789314 1017419228 /nfs/dbraw/zinc/41/92/28/1017419228.db2.gz LNFHRISNUBMQOY-SECBINFHSA-N -1 0 312.322 -0.621 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)NC(C)(C)C(=O)[O-])C1=O ZINC001598788770 1017419339 /nfs/dbraw/zinc/41/93/39/1017419339.db2.gz RVFSORKJFHMWSZ-MRVPVSSYSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCc2nnc[nH]2)[C@@H](C(=O)[O-])C1 ZINC001598790681 1017419521 /nfs/dbraw/zinc/41/95/21/1017419521.db2.gz FUNGXMOWDRWOOC-DTWKUNHWSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H](C)NC(C)=O)[C@H](C(=O)[O-])C1 ZINC001598791540 1017419579 /nfs/dbraw/zinc/41/95/79/1017419579.db2.gz YLYBADAGXVCNEX-SFGNSQDASA-N -1 0 300.311 -0.624 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cnn(C)c2N)[C@@H](C(=O)[O-])C1 ZINC001598793026 1017419677 /nfs/dbraw/zinc/41/96/77/1017419677.db2.gz GBMMLQNRAQIJTD-VXNVDRBHSA-N -1 0 310.310 -0.519 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])C1 ZINC001598788096 1017419842 /nfs/dbraw/zinc/41/98/42/1017419842.db2.gz CSGUQMVWQLOHMI-MRVPVSSYSA-N -1 0 323.305 -0.019 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N[C@H](C)/C=C\C(=O)[O-])C1=O ZINC001598790155 1017419896 /nfs/dbraw/zinc/41/98/96/1017419896.db2.gz OPWVRJRBBWXXFJ-KWMOZEJZSA-N -1 0 312.322 -0.457 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H]2CSC(=O)N2)[C@H](C(=O)[O-])C1 ZINC001598795541 1017420982 /nfs/dbraw/zinc/42/09/82/1017420982.db2.gz YELZZCRCDAWOMH-PRJMDXOYSA-N -1 0 316.335 -0.324 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C2CN(C(C)=O)C2)[C@H](C(=O)[O-])C1 ZINC001598795812 1017421732 /nfs/dbraw/zinc/42/17/32/1017421732.db2.gz ZHNWTXMBTVBHIU-KOLCDFICSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](C)/C=C/C(=O)[O-])CC1 ZINC001598801037 1017421931 /nfs/dbraw/zinc/42/19/31/1017421931.db2.gz XATUWRLRIWRJSR-NWALNABHSA-N -1 0 320.367 -0.265 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cccn(C)c2=O)[C@H](C(=O)[O-])C1 ZINC001598794935 1017422219 /nfs/dbraw/zinc/42/22/19/1017422219.db2.gz MLQONIHLBGUTPI-ONGXEEELSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H]2NC(=O)O[C@H]2C)[C@H](C(=O)[O-])C1 ZINC001598794010 1017422670 /nfs/dbraw/zinc/42/26/70/1017422670.db2.gz RUYPKPBQJFLLBS-UYXSQOIJSA-N -1 0 314.294 -0.652 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@@H]1C(=O)[O-] ZINC001598806148 1017424448 /nfs/dbraw/zinc/42/44/48/1017424448.db2.gz FFGCXXHMEFXRRA-QWRGUYRKSA-N -1 0 309.322 -0.168 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H](C)Cc2cnn(C)c2)C[C@H]1C(=O)[O-] ZINC001598802864 1017424466 /nfs/dbraw/zinc/42/44/66/1017424466.db2.gz GSNRBGQHBZMNCC-YUSALJHKSA-N -1 0 323.349 -0.069 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC=CCC2)C[C@@H]1C(=O)[O-] ZINC001598802598 1017424539 /nfs/dbraw/zinc/42/45/39/1017424539.db2.gz FSLJDJCXNVRFOE-VHSXEESVSA-N -1 0 310.306 -0.893 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)[C@@H]1[C@H](C)[C@H]1C(=O)N1CC[C@H]1C(=O)[O-] ZINC001598801969 1017424587 /nfs/dbraw/zinc/42/45/87/1017424587.db2.gz ASOGBAKMYSNXHV-ZKKRXERASA-N -1 0 324.333 -0.672 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCn2cccn2)C[C@H]1C(=O)[O-] ZINC001598808101 1017426448 /nfs/dbraw/zinc/42/64/48/1017426448.db2.gz LEWHRJLJNNHLCC-ZJUUUORDSA-N -1 0 310.310 -0.602 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C2(n3cccn3)CC2)C[C@H]1C(=O)[O-] ZINC001598810692 1017426514 /nfs/dbraw/zinc/42/65/14/1017426514.db2.gz XCHQLLHLJRFRQS-NXEZZACHSA-N -1 0 307.306 -0.296 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCC2CCOCC2)C[C@H]1C(=O)[O-] ZINC001598808452 1017426532 /nfs/dbraw/zinc/42/65/32/1017426532.db2.gz MAFSQYYOYXVWCM-MNOVXSKESA-N -1 0 314.338 -0.072 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)C[C@H]1C(=O)[O-] ZINC001598810289 1017426549 /nfs/dbraw/zinc/42/65/49/1017426549.db2.gz VYMRMYHTJKMARE-FBIMIBRVSA-N -1 0 321.333 -0.153 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C2(n3cccn3)CC2)C[C@H]1C(=O)[O-] ZINC001598810695 1017426600 /nfs/dbraw/zinc/42/66/00/1017426600.db2.gz XCHQLLHLJRFRQS-ZJUUUORDSA-N -1 0 307.306 -0.296 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCCO2)C[C@@H]1C(=O)[O-] ZINC001598807375 1017426958 /nfs/dbraw/zinc/42/69/58/1017426958.db2.gz IRGVWFQGBNBAHI-KXUCPTDWSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2cc(OC)n[nH]2)C[C@H]1C(=O)[O-] ZINC001598814862 1017428402 /nfs/dbraw/zinc/42/84/02/1017428402.db2.gz JNNUFLFSKXFYMG-RNFRBKRXSA-N -1 0 312.282 -0.244 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](C)c2cnn(C)c2)C[C@@H]1C(=O)[O-] ZINC001598810820 1017428860 /nfs/dbraw/zinc/42/88/60/1017428860.db2.gz WJOMZIXRCRUXBP-DVVUODLYSA-N -1 0 324.337 -0.004 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NOCC(F)(F)F)C[C@H]1C(=O)[O-] ZINC001598814033 1017428919 /nfs/dbraw/zinc/42/89/19/1017428919.db2.gz HIRIJHHREXQUAI-RITPCOANSA-N -1 0 314.216 -0.005 20 0 DBADRM O=C(CO[C@H]1CCOC1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497577922 1017428922 /nfs/dbraw/zinc/42/89/22/1017428922.db2.gz FIPPZEMAZRTRDG-SYBPUXJVSA-N -1 0 311.342 -0.922 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2c3c(nn2C)CCC3)C[C@@H]1C(=O)[O-] ZINC001598812692 1017429366 /nfs/dbraw/zinc/42/93/66/1017429366.db2.gz DNNVNKUENQUWRW-UWVGGRQHSA-N -1 0 321.333 -0.145 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)c2cnn(C)c2)C[C@H]1C(=O)[O-] ZINC001598811090 1017429769 /nfs/dbraw/zinc/42/97/69/1017429769.db2.gz WJOMZIXRCRUXBP-JMJZKYOTSA-N -1 0 324.337 -0.004 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2ncncc2OC)C[C@@H]1C(=O)[O-] ZINC001598815413 1017431125 /nfs/dbraw/zinc/43/11/25/1017431125.db2.gz PIOFMSNSOVAHQW-JGVFFNPUSA-N -1 0 324.293 -0.177 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2cnn(C)c2C)C[C@@H]1C(=O)[O-] ZINC001598818345 1017431313 /nfs/dbraw/zinc/43/13/13/1017431313.db2.gz XTFWCSXIBUPYOA-WDEREUQCSA-N -1 0 324.337 -0.256 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@@H]1C(=O)[O-] ZINC001598815883 1017431702 /nfs/dbraw/zinc/43/17/02/1017431702.db2.gz QBYODHWJXYPHKR-VHSXEESVSA-N -1 0 308.290 -0.371 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1C(=O)[O-] ZINC001598819403 1017431573 /nfs/dbraw/zinc/43/15/73/1017431573.db2.gz BTDFMAISZXJSCR-MNOVXSKESA-N -1 0 320.301 -0.269 20 0 DBADRM COC(=O)[C@@H]1CN(CN2C(=O)CC3(CCC3)C2=O)C[C@H]1C(=O)[O-] ZINC001598818162 1017431603 /nfs/dbraw/zinc/43/16/03/1017431603.db2.gz ACUTWZCEFAYSEO-NXEZZACHSA-N -1 0 324.333 -0.321 20 0 DBADRM COC(=O)[C@H]1CN(CN2C(=O)CC3(CCC3)C2=O)C[C@H]1C(=O)[O-] ZINC001598818165 1017431942 /nfs/dbraw/zinc/43/19/42/1017431942.db2.gz ACUTWZCEFAYSEO-ZJUUUORDSA-N -1 0 324.333 -0.321 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1C(=O)[O-] ZINC001598819683 1017432222 /nfs/dbraw/zinc/43/22/22/1017432222.db2.gz DBSDYJZCZUXZHB-BDAKNGLRSA-N -1 0 324.337 -0.021 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2cc(OC)n[nH]2)C[C@H]1C(=O)[O-] ZINC001598814863 1017432298 /nfs/dbraw/zinc/43/22/98/1017432298.db2.gz JNNUFLFSKXFYMG-RQJHMYQMSA-N -1 0 312.282 -0.244 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@@H]1C(=O)[O-] ZINC001598817761 1017432323 /nfs/dbraw/zinc/43/23/23/1017432323.db2.gz NVBBUTGKDWVQQC-JGVFFNPUSA-N -1 0 309.278 -0.569 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@@H]1C(=O)[O-] ZINC001598820896 1017433048 /nfs/dbraw/zinc/43/30/48/1017433048.db2.gz IWBGCOPSTRRFNH-VHSXEESVSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(CO)nc2)C[C@@H]1C(=O)[O-] ZINC001598819912 1017433772 /nfs/dbraw/zinc/43/37/72/1017433772.db2.gz VDBMPSBKFZOHNA-WDEREUQCSA-N -1 0 308.290 -0.480 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1C(=O)[O-] ZINC001598822470 1017433825 /nfs/dbraw/zinc/43/38/25/1017433825.db2.gz QJRQYAAEDNBGGK-ZJUUUORDSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@@H]1CN(CN2C(=O)CC(C)(C)C2=O)C[C@@H]1C(=O)[O-] ZINC001598822814 1017435092 /nfs/dbraw/zinc/43/50/92/1017435092.db2.gz SWJASDGIAWFZJC-DTWKUNHWSA-N -1 0 312.322 -0.465 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)N=S(C)(C)=O)C[C@@H]1C(=O)[O-] ZINC001598821782 1017435183 /nfs/dbraw/zinc/43/51/83/1017435183.db2.gz MJWUPADFPHVJFB-YUMQZZPRSA-N -1 0 306.340 -0.954 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@@H]1C(=O)[O-] ZINC001598823607 1017436339 /nfs/dbraw/zinc/43/63/39/1017436339.db2.gz WXPGGVMQDZFFSP-VHSXEESVSA-N -1 0 323.305 -0.389 20 0 DBADRM COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1cc(C(=O)[O-])co1 ZINC001598826834 1017436578 /nfs/dbraw/zinc/43/65/78/1017436578.db2.gz XBJJCDGEXRMHPM-SNVBAGLBSA-N -1 0 317.319 -0.250 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)CC(C)(C)OC)C[C@@H]1C(=O)[O-] ZINC001598824966 1017436815 /nfs/dbraw/zinc/43/68/15/1017436815.db2.gz JBXACWSAEGBEPJ-DTWKUNHWSA-N -1 0 323.367 -0.453 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)CCc1ocnc1C(=O)[O-] ZINC001598825518 1017437625 /nfs/dbraw/zinc/43/76/25/1017437625.db2.gz CSAWNVMHOKSJEV-QMMMGPOBSA-N -1 0 312.278 -0.294 20 0 DBADRM COC(=O)[C@H]1CSCCN(C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001598826753 1017437839 /nfs/dbraw/zinc/43/78/39/1017437839.db2.gz VLXAERIFHLHONI-SFYZADRCSA-N -1 0 308.331 -0.043 20 0 DBADRM COC(=O)/C=C/c1ccc(C(=O)OCC(=O)NCC(=O)[O-])o1 ZINC001598832799 1017439480 /nfs/dbraw/zinc/43/94/80/1017439480.db2.gz XUEKJYJMFLMNMZ-HWKANZROSA-N -1 0 311.246 -0.177 20 0 DBADRM COC(=O)/C=C/[C@H](C)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001598830937 1017439667 /nfs/dbraw/zinc/43/96/67/1017439667.db2.gz KCOCWVYDTQTCHY-CYNONHLPSA-N -1 0 308.290 -0.220 20 0 DBADRM COC(=O)/C=C/[C@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001598832002 1017439920 /nfs/dbraw/zinc/43/99/20/1017439920.db2.gz QNFLRJIFDFHPHQ-NWALNABHSA-N -1 0 320.367 -0.265 20 0 DBADRM COC(=O)[C@H]1COCCN1CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001598828592 1017439954 /nfs/dbraw/zinc/43/99/54/1017439954.db2.gz ROXCIERKWHINIL-GHMZBOCLSA-N -1 0 316.354 -0.524 20 0 DBADRM COC(=O)/C=C/c1ccc(C(=O)NCC(=O)NCC(=O)[O-])o1 ZINC001598830121 1017440231 /nfs/dbraw/zinc/44/02/31/1017440231.db2.gz HHIVAPZGTRJGOG-HWKANZROSA-N -1 0 310.262 -0.604 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CS(=O)(=O)CC(C)C)C(=O)[O-] ZINC001598836530 1017440681 /nfs/dbraw/zinc/44/06/81/1017440681.db2.gz AFIUFBMYNDNLNK-MRVPVSSYSA-N -1 0 309.340 -0.810 20 0 DBADRM COC(=O)C[C@H](NC(=O)/C=C/c1cnc(OC)nc1)C(=O)[O-] ZINC001598836367 1017440886 /nfs/dbraw/zinc/44/08/86/1017440886.db2.gz ATGLRTSJNNKCDK-NWALNABHSA-N -1 0 309.278 -0.369 20 0 DBADRM COC(=O)/C=C\[C@@H](C)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001598830938 1017440891 /nfs/dbraw/zinc/44/08/91/1017440891.db2.gz KCOCWVYDTQTCHY-SSJHQANKSA-N -1 0 308.290 -0.220 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)C[C@H]1CCC1(F)F)C(=O)[O-] ZINC001598839800 1017441641 /nfs/dbraw/zinc/44/16/41/1017441641.db2.gz JTGNNSZYYZSCKL-RQJHMYQMSA-N -1 0 315.294 -0.033 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CCn1c(C)csc1=O)C(=O)[O-] ZINC001598837008 1017441673 /nfs/dbraw/zinc/44/16/73/1017441673.db2.gz KEFOUEFKVAIAJY-MRVPVSSYSA-N -1 0 316.335 -0.259 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)C(=O)[O-] ZINC001598839067 1017441682 /nfs/dbraw/zinc/44/16/82/1017441682.db2.gz VWMLMHMWCPBSPJ-APPZFPTMSA-N -1 0 312.278 -0.470 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cnc(C2CC2)nc1N)C(=O)[O-] ZINC001598840366 1017441701 /nfs/dbraw/zinc/44/17/01/1017441701.db2.gz KLEVQQFHVHDGPH-QMMMGPOBSA-N -1 0 308.294 -0.318 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001598841115 1017441856 /nfs/dbraw/zinc/44/18/56/1017441856.db2.gz ZDZUXAQSKBCXEZ-LPEHRKFASA-N -1 0 303.311 -0.704 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CC1 ZINC001598839984 1017441994 /nfs/dbraw/zinc/44/19/94/1017441994.db2.gz MHZMZYOUWGSTLV-MRVPVSSYSA-N -1 0 317.323 -0.272 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H]1CCc2cnn(C)c2C1)C(=O)[O-] ZINC001598839974 1017442287 /nfs/dbraw/zinc/44/22/87/1017442287.db2.gz YEPHYSDDQLBXFC-WPRPVWTQSA-N -1 0 309.322 -0.343 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cc2n[nH]nc2cc1F)C(=O)[O-] ZINC001598838849 1017442479 /nfs/dbraw/zinc/44/24/79/1017442479.db2.gz QCVXGVQJCBZMBG-SECBINFHSA-N -1 0 310.241 -0.157 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CSc1nncs1)C(=O)[O-] ZINC001598837481 1017442541 /nfs/dbraw/zinc/44/25/41/1017442541.db2.gz OTUGUWMRRYOSDW-RXMQYKEDSA-N -1 0 305.337 -0.237 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H]1CCCc2nn(C)cc21)C(=O)[O-] ZINC001598840132 1017442678 /nfs/dbraw/zinc/44/26/78/1017442678.db2.gz ZSMMKMMCKLRXKZ-KWQFWETISA-N -1 0 309.322 -0.028 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H]1CCc2cnn(C)c2C1)C(=O)[O-] ZINC001598839972 1017442932 /nfs/dbraw/zinc/44/29/32/1017442932.db2.gz YEPHYSDDQLBXFC-WCBMZHEXSA-N -1 0 309.322 -0.343 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccoc1CC(=O)[O-] ZINC001598845199 1017444259 /nfs/dbraw/zinc/44/42/59/1017444259.db2.gz CNVLWWHJMWRSHZ-VIFPVBQESA-N -1 0 324.289 -0.590 20 0 DBADRM COC(=O)C[C@@H]1COCCN1C(=O)c1cc(C(=O)[O-])nn1C ZINC001598844277 1017444792 /nfs/dbraw/zinc/44/47/92/1017444792.db2.gz GNPOWDIDTMYHEN-MRVPVSSYSA-N -1 0 311.294 -0.478 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccoc1CC(=O)[O-] ZINC001598845195 1017445119 /nfs/dbraw/zinc/44/51/19/1017445119.db2.gz CNVLWWHJMWRSHZ-SECBINFHSA-N -1 0 324.289 -0.590 20 0 DBADRM COC(=O)C[C@@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001598842029 1017445199 /nfs/dbraw/zinc/44/51/99/1017445199.db2.gz WGSMREYGZAUTDP-SSDOTTSWSA-N -1 0 321.307 -0.511 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nn2)CCO1 ZINC001598844911 1017445308 /nfs/dbraw/zinc/44/53/08/1017445308.db2.gz HSOONNAKWWWQNV-QMMMGPOBSA-N -1 0 324.293 -0.029 20 0 DBADRM COC(=O)C[C@@H]1CN(CN2C[C@@H](C(=O)[O-])OC2=O)CCO1 ZINC001598845641 1017445562 /nfs/dbraw/zinc/44/55/62/1017445562.db2.gz RZBPUNNVZCBVCP-BDAKNGLRSA-N -1 0 302.283 -0.887 20 0 DBADRM COC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1 ZINC001598844563 1017445579 /nfs/dbraw/zinc/44/55/79/1017445579.db2.gz PLMFYXVWGROPRZ-WYFGTUCQSA-N -1 0 315.322 -0.345 20 0 DBADRM COC(=O)C[C@]1(NS(=O)(=O)CCCC(=O)[O-])CCOC1 ZINC001598843824 1017445588 /nfs/dbraw/zinc/44/55/88/1017445588.db2.gz OQCLDDROSCSWKB-LLVKDONJSA-N -1 0 309.340 -0.507 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCCCC(=O)[O-] ZINC001598847223 1017446425 /nfs/dbraw/zinc/44/64/25/1017446425.db2.gz LHQTVWBJHHKMEA-JTQLQIEISA-N -1 0 314.338 -0.088 20 0 DBADRM COC(=O)CC[C@H](C(=O)[O-])N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001598849459 1017446533 /nfs/dbraw/zinc/44/65/33/1017446533.db2.gz XXSZDNITBDKJLA-VHSXEESVSA-N -1 0 322.383 -0.642 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001598852541 1017446679 /nfs/dbraw/zinc/44/66/79/1017446679.db2.gz UAYWUZDFACGDNY-WPRPVWTQSA-N -1 0 309.340 -0.821 20 0 DBADRM COC(=O)C[C@H]1CCCN1C(=O)C(=O)NCCCCC(=O)[O-] ZINC001598847225 1017447989 /nfs/dbraw/zinc/44/79/89/1017447989.db2.gz LHQTVWBJHHKMEA-SNVBAGLBSA-N -1 0 314.338 -0.088 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(C(=O)[O-])co1 ZINC001598847394 1017448725 /nfs/dbraw/zinc/44/87/25/1017448725.db2.gz ZJSSFFOVFAYGNO-MRVPVSSYSA-N -1 0 310.262 -0.519 20 0 DBADRM COC(=O)CCCC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001598850864 1017448764 /nfs/dbraw/zinc/44/87/64/1017448764.db2.gz PVUCHZYGBYXYLL-UHFFFAOYSA-N -1 0 321.351 -0.522 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)c1cccc(C(=O)[O-])n1 ZINC001598853492 1017448813 /nfs/dbraw/zinc/44/88/13/1017448813.db2.gz FFVOONJBHOYSCE-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM COC(=O)CCN1CCC[C@@H](Nc2ccn(CC(=O)[O-])n2)C1=O ZINC001598854123 1017449960 /nfs/dbraw/zinc/44/99/60/1017449960.db2.gz RHVMVAGDRVMXIB-SNVBAGLBSA-N -1 0 324.337 -0.066 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CSCN1C(C)=O)C(=O)[O-] ZINC001598854811 1017450661 /nfs/dbraw/zinc/45/06/61/1017450661.db2.gz CODZZKJPKUMAQH-BDAKNGLRSA-N -1 0 318.351 -0.570 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)OC)C(=O)[O-] ZINC001598856807 1017450903 /nfs/dbraw/zinc/45/09/03/1017450903.db2.gz GQNYEVKLYQMNEG-DJLDLDEBSA-N -1 0 301.295 -0.292 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CC[C@]1(C)CCC(=O)N1)C(=O)[O-] ZINC001598856737 1017451138 /nfs/dbraw/zinc/45/11/38/1017451138.db2.gz UKFQUWCATUVURY-YMTOWFKASA-N -1 0 314.338 -0.042 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CN1CCCCC1=O)C(=O)[O-] ZINC001598855887 1017451326 /nfs/dbraw/zinc/45/13/26/1017451326.db2.gz FEKUUWAWBWTZPN-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)/C=C(\C)CN1CCOCC1 ZINC001598860549 1017452782 /nfs/dbraw/zinc/45/27/82/1017452782.db2.gz LYGKYDREPTVMCF-YRNVUSSQSA-N -1 0 314.338 -0.649 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCC(=O)NC1CCCC1 ZINC001598860394 1017452909 /nfs/dbraw/zinc/45/29/09/1017452909.db2.gz JJBXQUSUPPSHSB-UHFFFAOYSA-N -1 0 314.338 -0.088 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)N(C)CC(F)(F)F ZINC001598860785 1017453029 /nfs/dbraw/zinc/45/30/29/1017453029.db2.gz ILAJNAUABKAPEE-SSDOTTSWSA-N -1 0 314.260 -0.045 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CCc2nncn2CC1 ZINC001598860905 1017453252 /nfs/dbraw/zinc/45/32/52/1017453252.db2.gz VCIRCLYCMMEHTF-VIFPVBQESA-N -1 0 310.310 -0.683 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)C1CN(CC(F)(F)F)C1 ZINC001598860579 1017453575 /nfs/dbraw/zinc/45/35/75/1017453575.db2.gz NOCYVDRFLJQWEH-UHFFFAOYSA-N -1 0 312.244 -0.433 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cc2c(cn1)OCCO2)C(=O)[O-] ZINC001598857678 1017454040 /nfs/dbraw/zinc/45/40/40/1017454040.db2.gz HISZWZDXBWCUIX-MRVPVSSYSA-N -1 0 324.289 -0.011 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc(OC(F)F)n(C)n1 ZINC001598861030 1017454154 /nfs/dbraw/zinc/45/41/54/1017454154.db2.gz RPQFYFAGWQSEKQ-UHFFFAOYSA-N -1 0 321.236 -0.279 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001598864107 1017455310 /nfs/dbraw/zinc/45/53/10/1017455310.db2.gz APSJYLMTALCYLZ-BDAKNGLRSA-N -1 0 300.311 -0.717 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cn1nnc2cc(F)ccc2c1=O ZINC001598862900 1017455474 /nfs/dbraw/zinc/45/54/74/1017455474.db2.gz RTJQNUTXVXOYLP-UHFFFAOYSA-N -1 0 324.268 -0.552 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C[C@]2(CCCOC2)C1=O ZINC001598863665 1017455681 /nfs/dbraw/zinc/45/56/81/1017455681.db2.gz UQIFJGRWULTEBW-ZDUSSCGKSA-N -1 0 300.311 -0.858 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1C(=O)C[C@H](C)CC(=O)[O-] ZINC001598864534 1017455865 /nfs/dbraw/zinc/45/58/65/1017455865.db2.gz IYIFGKQEOMDBTH-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cn1ncn(-c2ccccc2)c1=O ZINC001598862976 1017456076 /nfs/dbraw/zinc/45/60/76/1017456076.db2.gz YKGKCBLJPBAILN-UHFFFAOYSA-N -1 0 320.305 -0.449 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)c1cc(C(=O)[O-])no1 ZINC001598862249 1017456132 /nfs/dbraw/zinc/45/61/32/1017456132.db2.gz JRFXLUZWKHCTKK-UHFFFAOYSA-N -1 0 300.223 -0.839 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1nnc2ccccc2n1 ZINC001598863569 1017456173 /nfs/dbraw/zinc/45/61/73/1017456173.db2.gz QKCUTGGBEFYNBU-UHFFFAOYSA-N -1 0 304.262 -0.275 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001598864381 1017456345 /nfs/dbraw/zinc/45/63/45/1017456345.db2.gz HTOHZCOQSAIOEI-UHFFFAOYSA-N -1 0 311.294 -0.651 20 0 DBADRM COC(=O)CSCCC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001598867724 1017457612 /nfs/dbraw/zinc/45/76/12/1017457612.db2.gz DWUMTIVGTJOCRH-BDAKNGLRSA-N -1 0 305.352 -0.423 20 0 DBADRM COC(=O)COc1cccc(C(=O)N[C@@](C)(CO)C(=O)[O-])c1 ZINC001598867190 1017457666 /nfs/dbraw/zinc/45/76/66/1017457666.db2.gz MZBKGNBXQUJCIJ-AWEZNQCLSA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)C[C@@H](C)OC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598867737 1017457727 /nfs/dbraw/zinc/45/77/27/1017457727.db2.gz IWCYQDCJZBPYQM-BDAKNGLRSA-N -1 0 301.295 -0.196 20 0 DBADRM COC(=O)CSCCC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001598867727 1017458004 /nfs/dbraw/zinc/45/80/04/1017458004.db2.gz DWUMTIVGTJOCRH-RKDXNWHRSA-N -1 0 305.352 -0.423 20 0 DBADRM COC(=O)CNC(=O)CN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001598866054 1017458699 /nfs/dbraw/zinc/45/86/99/1017458699.db2.gz ZYPVVMOKBXCSAA-UHFFFAOYSA-N -1 0 322.317 -0.132 20 0 DBADRM COC(=O)CSCCC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001598867995 1017458843 /nfs/dbraw/zinc/45/88/43/1017458843.db2.gz HKLMQZPRAOSJNI-LDYMZIIASA-N -1 0 305.352 -0.111 20 0 DBADRM COC(=O)CNC(=O)CN1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001598865316 1017458893 /nfs/dbraw/zinc/45/88/93/1017458893.db2.gz QBSVNKVQKFGXMD-CQSZACIVSA-N -1 0 322.317 -0.204 20 0 DBADRM COC(=O)C[C@@H](OC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)[O-] ZINC001598867525 1017458916 /nfs/dbraw/zinc/45/89/16/1017458916.db2.gz DZNOMSZVAJICAS-FWKUWYBHSA-N -1 0 314.290 -0.212 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cn1 ZINC001598875044 1017459994 /nfs/dbraw/zinc/45/99/94/1017459994.db2.gz OTZCHCRKLASHCE-OCAPTIKFSA-N -1 0 317.323 -0.802 20 0 DBADRM COC(=O)Cn1cc(CCN2C[C@@H](C)O[C@@H](C(=O)[O-])C2)nn1 ZINC001598876059 1017460679 /nfs/dbraw/zinc/46/06/79/1017460679.db2.gz NIHAALJZWXTNEN-MWLCHTKSSA-N -1 0 312.326 -0.833 20 0 DBADRM COC(=O)Cn1nc(C)c(CNC(=O)COCC(=O)[O-])c1C ZINC001598874843 1017460703 /nfs/dbraw/zinc/46/07/03/1017460703.db2.gz CAEKGEHEZXCOBZ-UHFFFAOYSA-N -1 0 313.310 -0.610 20 0 DBADRM COC(=O)C[C@@H](OC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC001598869668 1017460812 /nfs/dbraw/zinc/46/08/12/1017460812.db2.gz YNKBXOCCZLBIDW-JGVFFNPUSA-N -1 0 302.283 -0.663 20 0 DBADRM COC(=O)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001598868992 1017461097 /nfs/dbraw/zinc/46/10/97/1017461097.db2.gz ZRWBOXPNHDIHRE-SSDOTTSWSA-N -1 0 304.324 -0.047 20 0 DBADRM COC(=O)CSCCC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001598869018 1017461694 /nfs/dbraw/zinc/46/16/94/1017461694.db2.gz XEMHZDMDISFYKO-IUCAKERBSA-N -1 0 305.352 -0.017 20 0 DBADRM COC(=O)CSCCC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001598868847 1017461832 /nfs/dbraw/zinc/46/18/32/1017461832.db2.gz VDEVKJBQMZJVJM-MRVPVSSYSA-N -1 0 318.351 -0.964 20 0 DBADRM COC(=O)Cc1ccnc(N2CCC[C@H]2C(=O)NCC(=O)[O-])c1 ZINC001598873860 1017461849 /nfs/dbraw/zinc/46/18/49/1017461849.db2.gz RTWUFCJJTHSHDH-NSHDSACASA-N -1 0 321.333 -0.033 20 0 DBADRM COC(=O)NCC(=O)NC[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001598882822 1017463226 /nfs/dbraw/zinc/46/32/26/1017463226.db2.gz HQEUYWYKDZRLBU-ZETCQYMHSA-N -1 0 311.298 -0.553 20 0 DBADRM COC(=O)N1CC(NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001598880417 1017463877 /nfs/dbraw/zinc/46/38/77/1017463877.db2.gz VMZKOEHGZJPYOR-APPZFPTMSA-N -1 0 306.340 -0.390 20 0 DBADRM COC(=O)NCC(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001598883452 1017464057 /nfs/dbraw/zinc/46/40/57/1017464057.db2.gz QSSVXOJGJWTZKM-SECBINFHSA-N -1 0 323.309 -0.774 20 0 DBADRM COC(=O)NCCC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001598883645 1017464120 /nfs/dbraw/zinc/46/41/20/1017464120.db2.gz SQIRTQMXEBLWGQ-DTWKUNHWSA-N -1 0 316.310 -0.403 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](OC)c1cnn(C)c1 ZINC001598891097 1017464822 /nfs/dbraw/zinc/46/48/22/1017464822.db2.gz CYGYQPGRXXHJTN-MWLCHTKSSA-N -1 0 313.310 -0.370 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001598890723 1017465414 /nfs/dbraw/zinc/46/54/14/1017465414.db2.gz UXOCLQWRTVBDHA-RKDXNWHRSA-N -1 0 321.351 -0.666 20 0 DBADRM COC(=O)NCCCC(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001598883870 1017465600 /nfs/dbraw/zinc/46/56/00/1017465600.db2.gz VJJVVOLHOWSKSJ-NXEZZACHSA-N -1 0 302.327 -0.024 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CNC(=O)c1cccnc1 ZINC001598890169 1017466030 /nfs/dbraw/zinc/46/60/30/1017466030.db2.gz KLNGWCFDFXACGE-SNVBAGLBSA-N -1 0 323.305 -0.666 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001598884689 1017466330 /nfs/dbraw/zinc/46/63/30/1017466330.db2.gz IZPWYADDUFVKKE-QMMMGPOBSA-N -1 0 316.310 -0.403 20 0 DBADRM COC(=O)NCCNC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001598884777 1017466740 /nfs/dbraw/zinc/46/67/40/1017466740.db2.gz JOOOYLJZIZFJTB-UHFFFAOYSA-N -1 0 311.298 -0.427 20 0 DBADRM COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001598893874 1017467854 /nfs/dbraw/zinc/46/78/54/1017467854.db2.gz BLLYTUJIOKLGHV-SNVBAGLBSA-N -1 0 321.293 -0.795 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001598893231 1017467980 /nfs/dbraw/zinc/46/79/80/1017467980.db2.gz FCTKTZVJDHKMBE-ZETCQYMHSA-N -1 0 307.280 -0.902 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)[C@@H](C)O ZINC001598893909 1017468244 /nfs/dbraw/zinc/46/82/44/1017468244.db2.gz KQGUHKYHVXCTIH-XRGYYRRGSA-N -1 0 323.348 -0.353 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)[C@H]1CCO[C@@H]1C ZINC001598893258 1017468262 /nfs/dbraw/zinc/46/82/62/1017468262.db2.gz LLGBWEVKAJOJQE-HLTSFMKQSA-N -1 0 309.340 -0.510 20 0 DBADRM COC(=O)[C@@H]1CC(F)(F)CN1CCc1cn(CC(=O)[O-])nn1 ZINC001598893585 1017468299 /nfs/dbraw/zinc/46/82/99/1017468299.db2.gz KCCHOGXPMDHYLP-VIFPVBQESA-N -1 0 318.280 -0.212 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001598893543 1017468472 /nfs/dbraw/zinc/46/84/72/1017468472.db2.gz YTUWTFJUNMPOCQ-HRDYMLBCSA-N -1 0 300.311 -0.589 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cnc2c(c1)nnn2C ZINC001598892944 1017469432 /nfs/dbraw/zinc/46/94/32/1017469432.db2.gz GYRKWRUJUNSEGR-MRVPVSSYSA-N -1 0 321.293 -0.501 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001598891976 1017469595 /nfs/dbraw/zinc/46/95/95/1017469595.db2.gz YLTFTGZMYZPRKC-IONNQARKSA-N -1 0 310.310 -0.253 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)O1 ZINC001598897798 1017470643 /nfs/dbraw/zinc/47/06/43/1017470643.db2.gz RKKCDNFLCDCPRD-KYXWUPHJSA-N -1 0 301.295 -0.999 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001598899878 1017470720 /nfs/dbraw/zinc/47/07/20/1017470720.db2.gz HLMJLVHFRAOAKR-SGIHWFKDSA-N -1 0 312.322 -0.719 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598899811 1017471033 /nfs/dbraw/zinc/47/10/33/1017471033.db2.gz FHWBGHJPMHTBBY-KXUCPTDWSA-N -1 0 322.321 -0.051 20 0 DBADRM COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001598900467 1017471611 /nfs/dbraw/zinc/47/16/11/1017471611.db2.gz NXXXLWVWGQSMPA-SOYHJAILSA-N -1 0 303.286 -0.023 20 0 DBADRM COC(=O)[C@H](C)N(C)C(=O)COCc1ocnc1C(=O)[O-] ZINC001598900953 1017471758 /nfs/dbraw/zinc/47/17/58/1017471758.db2.gz BYXCHVBOKUGGLQ-ZETCQYMHSA-N -1 0 300.267 -0.091 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNS(=O)(=O)C[C@H](C)C(=O)[O-])C1(F)F ZINC001598902330 1017471771 /nfs/dbraw/zinc/47/17/71/1017471771.db2.gz RZHCVFPBWXEDFV-ACZMJKKPSA-N -1 0 315.294 -0.319 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001598899842 1017472436 /nfs/dbraw/zinc/47/24/36/1017472436.db2.gz FXDMOPLJXBZRNR-SGIHWFKDSA-N -1 0 310.306 -0.077 20 0 DBADRM COC(=O)[C@H]1[C@@H]2CN(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])C[C@@H]21 ZINC001598902726 1017473339 /nfs/dbraw/zinc/47/33/39/1017473339.db2.gz YDEKZFUXWMAURX-SAVGLBRCSA-N -1 0 312.322 -0.464 20 0 DBADRM COC(=O)[C@H](C)NC(=O)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])nc1 ZINC001598902923 1017473830 /nfs/dbraw/zinc/47/38/30/1017473830.db2.gz JCMJFRSYYRKIOL-YUMQZZPRSA-N -1 0 323.305 -0.424 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NS(=O)(=O)CCCC(=O)[O-])[C@@H]2C[C@@H]21 ZINC001598906372 1017474395 /nfs/dbraw/zinc/47/43/95/1017474395.db2.gz NIODGDQAPLGXLE-QCLAVDOMSA-N -1 0 305.352 -0.032 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598904001 1017474418 /nfs/dbraw/zinc/47/44/18/1017474418.db2.gz WVVRPDTVLAWUNH-ZETOZRRWSA-N -1 0 307.302 -0.105 20 0 DBADRM COC(=O)[C@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001598908657 1017474433 /nfs/dbraw/zinc/47/44/33/1017474433.db2.gz BEVHTZKJSCPIGS-AEJSXWLSSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@H]1OCC[C@H]1NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001598909154 1017474618 /nfs/dbraw/zinc/47/46/18/1017474618.db2.gz SAXUPDSXKCEGSO-XCBNKYQSSA-N -1 0 312.282 -0.580 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C1 ZINC001598907035 1017475081 /nfs/dbraw/zinc/47/50/81/1017475081.db2.gz UPMWEPCRNAWYSN-JXVKQMKBSA-N -1 0 317.363 -0.033 20 0 DBADRM COC(=O)c1cc(C(=O)OC)n(CC(=O)NCCC(=O)[O-])n1 ZINC001598927070 1017476127 /nfs/dbraw/zinc/47/61/27/1017476127.db2.gz ZNGIFMGFAGWHFD-UHFFFAOYSA-N -1 0 313.266 -0.953 20 0 DBADRM COC(=O)c1[nH]cc(C(=O)[O-])c1NC(=O)C1CN(C(C)=O)C1 ZINC001598913579 1017476346 /nfs/dbraw/zinc/47/63/46/1017476346.db2.gz XEGZJXLKCRZYCR-UHFFFAOYSA-N -1 0 309.278 -0.084 20 0 DBADRM COC(=O)c1cc(C(C)(C)NC(=O)COCC(=O)[O-])no1 ZINC001598926917 1017476429 /nfs/dbraw/zinc/47/64/29/1017476429.db2.gz VDSOGTQLRGGVIN-UHFFFAOYSA-N -1 0 300.267 -0.086 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)NC[C@@H](C)C(=O)[O-] ZINC001598912259 1017476447 /nfs/dbraw/zinc/47/64/47/1017476447.db2.gz RDXYGQOBJNIUDR-RXMQYKEDSA-N -1 0 305.312 -0.496 20 0 DBADRM COC(=O)[C@H]1OCC[C@H]1CNC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001598909309 1017476480 /nfs/dbraw/zinc/47/64/80/1017476480.db2.gz YIWBEYFKTCQSMD-DAWVFNFOSA-N -1 0 312.322 -0.464 20 0 DBADRM COC(=O)c1cc(C)c(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])o1 ZINC001598928292 1017477018 /nfs/dbraw/zinc/47/70/18/1017477018.db2.gz VVEKDDWZFGYWIA-MRVPVSSYSA-N -1 0 324.289 -0.210 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])n(C)n1 ZINC001598920187 1017477412 /nfs/dbraw/zinc/47/74/12/1017477412.db2.gz MHGZVUDJSBYRJJ-QMMMGPOBSA-N -1 0 311.294 -0.478 20 0 DBADRM COC(=O)c1cc(C(=O)OC)n(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)n1 ZINC001598926428 1017477483 /nfs/dbraw/zinc/47/74/83/1017477483.db2.gz KHJDXBMCBYKMOP-VROVMSAKSA-N -1 0 323.305 -0.324 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CCC1CS(=O)(=O)C1 ZINC001598924830 1017477509 /nfs/dbraw/zinc/47/75/09/1017477509.db2.gz IQWPCZAQPWFMMJ-UHFFFAOYSA-N -1 0 302.308 -0.197 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])no1 ZINC001598920075 1017477559 /nfs/dbraw/zinc/47/75/59/1017477559.db2.gz RIRHHNQVSHCUOT-MRVPVSSYSA-N -1 0 308.250 -0.390 20 0 DBADRM COC(=O)c1cc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)c[nH]1 ZINC001598918679 1017477620 /nfs/dbraw/zinc/47/76/20/1017477620.db2.gz XLZRTYCUGXQYBM-IUCAKERBSA-N -1 0 324.289 -0.253 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN(C)[C@@H]1CCN(C)C1=O ZINC001598925075 1017478284 /nfs/dbraw/zinc/47/82/84/1017478284.db2.gz NLBPIOACPLIOGG-SECBINFHSA-N -1 0 310.310 -0.512 20 0 DBADRM COC(=O)c1cc(C)c(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])o1 ZINC001598928293 1017478428 /nfs/dbraw/zinc/47/84/28/1017478428.db2.gz VVEKDDWZFGYWIA-QMMMGPOBSA-N -1 0 324.289 -0.210 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)O)ccc1C(=O)[O-] ZINC001598953731 1017479732 /nfs/dbraw/zinc/47/97/32/1017479732.db2.gz SLVFWJLNJHLJMI-SSDOTTSWSA-N -1 0 317.319 -0.170 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])C2CC2)on1 ZINC001598952344 1017479865 /nfs/dbraw/zinc/47/98/65/1017479865.db2.gz FZWILQKBBDWDOQ-UHFFFAOYSA-N -1 0 304.280 -0.301 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CO)ccc1C(=O)[O-] ZINC001598955693 1017480295 /nfs/dbraw/zinc/48/02/95/1017480295.db2.gz MQUWBPNLPQCJNY-ZETCQYMHSA-N -1 0 317.319 -0.170 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)CO)ccc1C(=O)[O-] ZINC001598937551 1017480431 /nfs/dbraw/zinc/48/04/31/1017480431.db2.gz UIUZQRFYUZNXMQ-SSDOTTSWSA-N -1 0 324.289 -0.393 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCCCC(=O)[O-])n[nH]1 ZINC001598954343 1017480816 /nfs/dbraw/zinc/48/08/16/1017480816.db2.gz ADXMWIYTIHZRGV-UHFFFAOYSA-N -1 0 305.312 -0.271 20 0 DBADRM COC(=O)c1cc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])[nH]c1C ZINC001598933454 1017481310 /nfs/dbraw/zinc/48/13/10/1017481310.db2.gz WJCUOTVOLKCILB-NSHDSACASA-N -1 0 309.322 -0.115 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])C2CC2)n[nH]1 ZINC001598950727 1017481638 /nfs/dbraw/zinc/48/16/38/1017481638.db2.gz JWYMPVGNEYBBPN-UHFFFAOYSA-N -1 0 303.296 -0.566 20 0 DBADRM COC(=O)c1cccc([C@@H](C(=O)[O-])N2CC[C@](O)(C(N)=O)C2)c1 ZINC001598997547 1017482547 /nfs/dbraw/zinc/48/25/47/1017482547.db2.gz UCDPTSYVCOTSDP-XHDPSFHLSA-N -1 0 322.317 -0.479 20 0 DBADRM COC(=O)c1cccn(CC(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c1=O ZINC001599002163 1017483139 /nfs/dbraw/zinc/48/31/39/1017483139.db2.gz NTQPXTIRUJVLDD-ZJUUUORDSA-N -1 0 322.317 -0.044 20 0 DBADRM COC(=O)c1cccc([C@H](C(=O)[O-])N2CC[C@](O)(C(N)=O)C2)c1 ZINC001598997544 1017483682 /nfs/dbraw/zinc/48/36/82/1017483682.db2.gz UCDPTSYVCOTSDP-IAQYHMDHSA-N -1 0 322.317 -0.479 20 0 DBADRM COC(=O)c1ccc(CN2CCC[C@H]2C(=O)NCC(=O)[O-])n1C ZINC001598974791 1017483929 /nfs/dbraw/zinc/48/39/29/1017483929.db2.gz SWGPVTOODGUOGH-NSHDSACASA-N -1 0 323.349 -0.023 20 0 DBADRM COC(=O)c1ccc(NC(=O)NC[C@@H](O)CO)cc1C(=O)[O-] ZINC001598980613 1017484395 /nfs/dbraw/zinc/48/43/95/1017484395.db2.gz LBDWTWDXWXZWHW-MRVPVSSYSA-N -1 0 312.278 -0.354 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])n1 ZINC001598997748 1017484428 /nfs/dbraw/zinc/48/44/28/1017484428.db2.gz NKCPULHAGYNADC-SCZZXKLOSA-N -1 0 323.305 -0.674 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cn1 ZINC001599008372 1017485918 /nfs/dbraw/zinc/48/59/18/1017485918.db2.gz YXBUVCOXOGPAGN-NSHDSACASA-N -1 0 323.305 -0.439 20 0 DBADRM COC(=O)c1cnc(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)cn1 ZINC001599007063 1017486037 /nfs/dbraw/zinc/48/60/37/1017486037.db2.gz BGHUTYXNHOKHCD-ZCFIWIBFSA-N -1 0 311.250 -0.991 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CC[C@@H](OC)C[C@H]2C(=O)[O-])cn1 ZINC001599007523 1017486079 /nfs/dbraw/zinc/48/60/79/1017486079.db2.gz JXZPMFTWAPRWHD-KCJUWKMLSA-N -1 0 323.305 -0.033 20 0 DBADRM COC(=O)c1ccnc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC001599004112 1017486935 /nfs/dbraw/zinc/48/69/35/1017486935.db2.gz FMKWNPYJESXVTI-ZDUSSCGKSA-N -1 0 309.278 -0.079 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2CCSC[C@@H]2C(=O)[O-])n1 ZINC001599005410 1017487277 /nfs/dbraw/zinc/48/72/77/1017487277.db2.gz YDJUIGAXXATBEA-SECBINFHSA-N -1 0 313.335 -0.302 20 0 DBADRM COC(=O)c1cnc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cn1 ZINC001599008094 1017487401 /nfs/dbraw/zinc/48/74/01/1017487401.db2.gz SMLRSAPVJLXHEK-SNVBAGLBSA-N -1 0 319.277 -0.448 20 0 DBADRM COC(=O)c1ccnc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)c1 ZINC001599004111 1017487468 /nfs/dbraw/zinc/48/74/68/1017487468.db2.gz FMKWNPYJESXVTI-CYBMUJFWSA-N -1 0 309.278 -0.079 20 0 DBADRM COC(=O)c1cnc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)cn1 ZINC001599007061 1017487656 /nfs/dbraw/zinc/48/76/56/1017487656.db2.gz BGHUTYXNHOKHCD-LURJTMIESA-N -1 0 311.250 -0.991 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](C)C=CC(=O)[O-] ZINC001599007166 1017487668 /nfs/dbraw/zinc/48/76/68/1017487668.db2.gz DITKVWXQLRZOGH-SYDCGGLASA-N -1 0 303.296 -0.496 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001599012828 1017488618 /nfs/dbraw/zinc/48/86/18/1017488618.db2.gz NIFKVGYIOMWXAK-IONNQARKSA-N -1 0 319.291 -0.413 20 0 DBADRM COC(=O)c1nccnc1C(=O)OCC(=O)C1(C(=O)[O-])CC1 ZINC001599016495 1017489249 /nfs/dbraw/zinc/48/92/49/1017489249.db2.gz XISSROAUWSFJSN-UHFFFAOYSA-N -1 0 308.246 -0.146 20 0 DBADRM COC(=O)c1ncccc1S(=O)(=O)N[C@@H](CCF)C(=O)[O-] ZINC001599016491 1017489467 /nfs/dbraw/zinc/48/94/67/1017489467.db2.gz XFQBADXDWADEQW-ZETCQYMHSA-N -1 0 320.298 -0.041 20 0 DBADRM COC(=O)c1cnn(CC(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1 ZINC001599011245 1017489738 /nfs/dbraw/zinc/48/97/38/1017489738.db2.gz LESKQDQPGGPQCQ-CYBMUJFWSA-N -1 0 311.294 -0.580 20 0 DBADRM COC(=O)c1coc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1 ZINC001599012685 1017489843 /nfs/dbraw/zinc/48/98/43/1017489843.db2.gz JVKSDFRNIOXTPL-SECBINFHSA-N -1 0 324.289 -0.128 20 0 DBADRM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CO ZINC001599019120 1017489906 /nfs/dbraw/zinc/48/99/06/1017489906.db2.gz CTEYXRQMVRMPIH-RXMQYKEDSA-N -1 0 323.348 -0.108 20 0 DBADRM COC(=O)c1cnc(NC(=O)N2CC(O)(C(=O)[O-])C2)cc1C ZINC001599010359 1017490257 /nfs/dbraw/zinc/49/02/57/1017490257.db2.gz NSRAZZAJNKYWIW-UHFFFAOYSA-N -1 0 309.278 -0.160 20 0 DBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001599011614 1017490574 /nfs/dbraw/zinc/49/05/74/1017490574.db2.gz TZDLASGIJRSLHL-ZETCQYMHSA-N -1 0 324.293 -0.922 20 0 DBADRM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)O ZINC001599018990 1017490942 /nfs/dbraw/zinc/49/09/42/1017490942.db2.gz XRXIIYXVUOWIHA-YFKPBYRVSA-N -1 0 323.348 -0.108 20 0 DBADRM CO[C@H](C(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001599031498 1017491711 /nfs/dbraw/zinc/49/17/11/1017491711.db2.gz ZQXUCASNWGOSFN-AEJSXWLSSA-N -1 0 317.338 -0.363 20 0 DBADRM CO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001599035461 1017491875 /nfs/dbraw/zinc/49/18/75/1017491875.db2.gz FBJFMOVKUOHCDE-KXUCPTDWSA-N -1 0 308.338 -0.110 20 0 DBADRM COC(C)(C)[C@@H](C)NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599031116 1017492985 /nfs/dbraw/zinc/49/29/85/1017492985.db2.gz IJVYMBMHLLGTEO-NXEZZACHSA-N -1 0 316.354 -0.382 20 0 DBADRM CO[C@H](C(=O)NC[C@@H](O)CNc1ncc(C(=O)[O-])cn1)C1CC1 ZINC001599028014 1017493182 /nfs/dbraw/zinc/49/31/82/1017493182.db2.gz HRYDJBONVFKHKP-MNOVXSKESA-N -1 0 324.337 -0.511 20 0 DBADRM CO[C@@](C)(C(=O)NC[C@H](O)CC(=O)[O-])C(=O)OC(C)(C)C ZINC001599031738 1017493468 /nfs/dbraw/zinc/49/34/68/1017493468.db2.gz MCSDJAIARMKXBB-OQPBUACISA-N -1 0 305.327 -0.315 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)C[C@@H]1CCC(=O)N1C)OC ZINC001599046493 1017494850 /nfs/dbraw/zinc/49/48/50/1017494850.db2.gz IHAJVRQHVHPUIF-JTQLQIEISA-N -1 0 316.354 -0.081 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)c1nc2ncccn2n1)OC ZINC001599047473 1017495190 /nfs/dbraw/zinc/49/51/90/1017495190.db2.gz FYUTVDCZQUUHBO-UHFFFAOYSA-N -1 0 323.309 -0.340 20 0 DBADRM COC(CN(CCCO)C(=O)Cn1cc(C(=O)[O-])cn1)OC ZINC001599047481 1017495782 /nfs/dbraw/zinc/49/57/82/1017495782.db2.gz FHTADNJIZGEHQW-UHFFFAOYSA-N -1 0 315.326 -0.589 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)CCn1ccnn1)OC ZINC001599045540 1017496252 /nfs/dbraw/zinc/49/62/52/1017496252.db2.gz NAPGFHNLMHGFON-UHFFFAOYSA-N -1 0 300.315 -0.410 20 0 DBADRM CO[C@H](CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C(C)C ZINC001599049498 1017497025 /nfs/dbraw/zinc/49/70/25/1017497025.db2.gz NSCYBRODKLTUCD-SECBINFHSA-N -1 0 312.326 -0.156 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)[C@H]1CCOC1 ZINC001599053714 1017497731 /nfs/dbraw/zinc/49/77/31/1017497731.db2.gz DDHXRRNWKPQKHX-IONNQARKSA-N -1 0 319.339 -0.562 20 0 DBADRM CO[C@@H](CNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[C@H]1CCOC1 ZINC001599050087 1017498539 /nfs/dbraw/zinc/49/85/39/1017498539.db2.gz RFZXTZSMZBIOTC-NOOOWODRSA-N -1 0 316.354 -0.173 20 0 DBADRM CO[C@H](CS(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)C1CC1 ZINC001599058419 1017499806 /nfs/dbraw/zinc/49/98/06/1017499806.db2.gz LHVZKPSIYITVJC-OUAUKWLOSA-N -1 0 307.368 -0.491 20 0 DBADRM COC1(C(=O)N2CCCCC[C@H]2C(=O)[O-])CS(=O)(=O)C1 ZINC001599061844 1017500145 /nfs/dbraw/zinc/50/01/45/1017500145.db2.gz FVZUCNZROKKBQE-VIFPVBQESA-N -1 0 305.352 -0.344 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])C(C)C ZINC001599057706 1017500659 /nfs/dbraw/zinc/50/06/59/1017500659.db2.gz IRWFJXRWGWSEMN-VHSXEESVSA-N -1 0 322.383 -0.738 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-])C1CC1 ZINC001599058605 1017501018 /nfs/dbraw/zinc/50/10/18/1017501018.db2.gz ZCBPRTPVVCXOIZ-ZJUUUORDSA-N -1 0 323.367 -0.453 20 0 DBADRM CO[C@H](Cn1nnnc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)[C@H]1CCOC1 ZINC001599060993 1017501160 /nfs/dbraw/zinc/50/11/60/1017501160.db2.gz VYKFXEDOYWWQHN-PREPNJAASA-N -1 0 323.353 -0.509 20 0 DBADRM CO[C@@H](Cn1nnnc1N1CC[C@](OC)(C(=O)[O-])C1)C1CC1 ZINC001599058184 1017501271 /nfs/dbraw/zinc/50/12/71/1017501271.db2.gz HALOROAIJOKSPR-GXFFZTMASA-N -1 0 311.342 -0.222 20 0 DBADRM COC1(C(=O)NC2CCC(C(=O)[O-])CC2)CS(=O)(=O)C1 ZINC001599064799 1017502582 /nfs/dbraw/zinc/50/25/82/1017502582.db2.gz JBGVZPWAUBHPLQ-UHFFFAOYSA-N -1 0 305.352 -0.440 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001599065102 1017502779 /nfs/dbraw/zinc/50/27/79/1017502779.db2.gz BVKBTHCKACROBL-CABZTGNLSA-N -1 0 322.383 -0.738 20 0 DBADRM CO[C@]1(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CCS(=O)(=O)C1 ZINC001599063536 1017503046 /nfs/dbraw/zinc/50/30/46/1017503046.db2.gz PDFWGPOBGFWWDS-OPQQBVKSSA-N -1 0 319.379 -0.050 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCOC(C)C)C1 ZINC001599066368 1017503055 /nfs/dbraw/zinc/50/30/55/1017503055.db2.gz CLJSUJRIQNBZFW-ZDUSSCGKSA-N -1 0 302.327 -0.770 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@](C)(O)C2)C1 ZINC001599065868 1017503084 /nfs/dbraw/zinc/50/30/84/1017503084.db2.gz JIFGCBMRJWMKFV-KGLIPLIRSA-N -1 0 314.338 -0.938 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)C)C1 ZINC001599065100 1017503384 /nfs/dbraw/zinc/50/33/84/1017503384.db2.gz BVKBTHCKACROBL-BXKDBHETSA-N -1 0 322.383 -0.738 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001599065104 1017503448 /nfs/dbraw/zinc/50/34/48/1017503448.db2.gz BVKBTHCKACROBL-JOYOIKCWSA-N -1 0 322.383 -0.738 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@](C)(O)C2)C1 ZINC001599065869 1017503474 /nfs/dbraw/zinc/50/34/74/1017503474.db2.gz JIFGCBMRJWMKFV-UONOGXRCSA-N -1 0 314.338 -0.938 20 0 DBADRM CO[C@@]1(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001599064557 1017503749 /nfs/dbraw/zinc/50/37/49/1017503749.db2.gz CZTRZPJGLGZMCB-XDTLVQLUSA-N -1 0 319.379 -0.241 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CN(C)CC(=O)NC(C)C)C1 ZINC001599068089 1017504751 /nfs/dbraw/zinc/50/47/51/1017504751.db2.gz JWGGAJVUSXCVAV-AWEZNQCLSA-N -1 0 315.370 -0.855 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@]2(C)CCOC2)C1 ZINC001599067276 1017505052 /nfs/dbraw/zinc/50/50/52/1017505052.db2.gz RRUOFMNSGQCQSN-ZIAGYGMSSA-N -1 0 314.338 -0.769 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@@]23CCC(=O)N2CCS3)C1 ZINC001599066771 1017505302 /nfs/dbraw/zinc/50/53/02/1017505302.db2.gz YBDONQMHYMQVJN-STQMWFEESA-N -1 0 314.363 -0.246 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2COC(C)(C)C2)C1 ZINC001599068436 1017505410 /nfs/dbraw/zinc/50/54/10/1017505410.db2.gz YJOAUOPVGGMAPO-LKFCYVNXSA-N -1 0 314.338 -0.628 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001599068143 1017505539 /nfs/dbraw/zinc/50/55/39/1017505539.db2.gz KQPHWAZTLGJGFH-ZWNOBZJWSA-N -1 0 319.379 -0.097 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(CC3CC3)C2)C1 ZINC001599067994 1017505719 /nfs/dbraw/zinc/50/57/19/1017505719.db2.gz KBIXFLYFLHSMQP-HNNXBMFYSA-N -1 0 310.350 -0.053 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001599070330 1017506632 /nfs/dbraw/zinc/50/66/32/1017506632.db2.gz LGJLXIQVLCTLLJ-IINYFYTJSA-N -1 0 313.354 -0.119 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001599071953 1017506788 /nfs/dbraw/zinc/50/67/88/1017506788.db2.gz ZLDSQZIDCXNKCS-CABZTGNLSA-N -1 0 320.367 -0.599 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCc2nc3ncccn3n2)C1 ZINC001599070944 1017506977 /nfs/dbraw/zinc/50/69/77/1017506977.db2.gz OJVXJLKPMJZQFP-CYBMUJFWSA-N -1 0 320.309 -0.491 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CS(=O)(=O)CC(C)C)C1 ZINC001599071182 1017507156 /nfs/dbraw/zinc/50/71/56/1017507156.db2.gz RREOBXFQWMYHCZ-LBPRGKRZSA-N -1 0 307.368 -0.241 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2CCOCC2CC2)C1 ZINC001599081027 1017508802 /nfs/dbraw/zinc/50/88/02/1017508802.db2.gz OVEWWOZOOBOGLJ-CYBMUJFWSA-N -1 0 311.342 -0.220 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnnn2Cc2ccc(F)cn2)C1 ZINC001599079914 1017509543 /nfs/dbraw/zinc/50/95/43/1017509543.db2.gz BTLDQDQCEKKXGX-ZDUSSCGKSA-N -1 0 322.300 -0.065 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(CN2C[C@@H](c3cncn3C)CC2=O)C1 ZINC001599076950 1017509556 /nfs/dbraw/zinc/50/95/56/1017509556.db2.gz BQTHMWUKUVWXBQ-XHDPSFHLSA-N -1 0 322.365 -0.131 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2C[C@@]2(C)CCOC2)C1 ZINC001599080485 1017510697 /nfs/dbraw/zinc/51/06/97/1017510697.db2.gz KZSHKROKZROEOE-CHWSQXEVSA-N -1 0 311.342 -0.220 20 0 DBADRM CO[C@]1(CN2C(=O)[C@H]3CC[C@H](C(=O)[O-])CN3C2=O)CCOC1 ZINC001599090012 1017512033 /nfs/dbraw/zinc/51/20/33/1017512033.db2.gz XWVRVWKMERTGQO-RBZYPMLTSA-N -1 0 312.322 -0.081 20 0 DBADRM COC1CC(C(=O)NC[C@@H](O)CNc2ncc(C(=O)[O-])cn2)C1 ZINC001599093426 1017512766 /nfs/dbraw/zinc/51/27/66/1017512766.db2.gz BSRDMUSTMHEGIR-LDGBHUKOSA-N -1 0 324.337 -0.511 20 0 DBADRM COC1([C@@H](C)NS(=O)(=O)N(C)CCC(=O)[O-])CCOCC1 ZINC001599083402 1017513538 /nfs/dbraw/zinc/51/35/38/1017513538.db2.gz IDWPLKDSLXLAEY-SNVBAGLBSA-N -1 0 324.399 -0.189 20 0 DBADRM COC1(CNC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CCC1 ZINC001599088784 1017513757 /nfs/dbraw/zinc/51/37/57/1017513757.db2.gz KAVCSWTWQJNSPM-ZJUUUORDSA-N -1 0 314.338 -0.628 20 0 DBADRM CO[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)C1 ZINC001599115448 1017514726 /nfs/dbraw/zinc/51/47/26/1017514726.db2.gz NSBVFSWORYUCDG-BQVMBELUSA-N -1 0 310.350 -0.007 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)[C@H](O)C(C)(C)O)C(=O)[O-])C1 ZINC001599106531 1017515241 /nfs/dbraw/zinc/51/52/41/1017515241.db2.gz QZRRUFBYJHYMST-VLEAKVRGSA-N -1 0 303.355 -0.107 20 0 DBADRM COC1CC(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001599093641 1017515438 /nfs/dbraw/zinc/51/54/38/1017515438.db2.gz HHKYGDFJLYEJNN-QOZQQMKHSA-N -1 0 312.366 -0.201 20 0 DBADRM COC1(OC)CC(NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001599096425 1017515566 /nfs/dbraw/zinc/51/55/66/1017515566.db2.gz UEYKYUFLPYGCIB-UHFFFAOYSA-N -1 0 305.312 -0.462 20 0 DBADRM CO[C@H]1CCCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001599115410 1017515707 /nfs/dbraw/zinc/51/57/07/1017515707.db2.gz NAQWXGARAKNQQR-GUBZILKMSA-N -1 0 301.343 -0.215 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@@H](NS(=O)(=O)C2COC2)C(=O)[O-])C1 ZINC001599112598 1017516632 /nfs/dbraw/zinc/51/66/32/1017516632.db2.gz MKKILSYDWSWJAH-IQJOONFLSA-N -1 0 307.368 -0.037 20 0 DBADRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)[C@H]2COC(=O)N2)C(=O)[O-])C1 ZINC001599106055 1017516657 /nfs/dbraw/zinc/51/66/57/1017516657.db2.gz DQTIFLGLPBNQEE-ZYUZMQFOSA-N -1 0 300.311 -0.131 20 0 DBADRM CO[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001599114164 1017516748 /nfs/dbraw/zinc/51/67/48/1017516748.db2.gz CFSWTIVMDFDKLA-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H](O)Cc2cnn(C)c2)[C@](C)(C(=O)[O-])C1 ZINC001599131785 1017519901 /nfs/dbraw/zinc/51/99/01/1017519901.db2.gz UWUORGLFOXPAAD-WDMOLILDSA-N -1 0 311.338 -0.586 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)c2cnnn2C)[C@H](C(=O)[O-])C1 ZINC001599126623 1017519960 /nfs/dbraw/zinc/51/99/60/1017519960.db2.gz LFIFTBPQHSJEIS-YUMQZZPRSA-N -1 0 304.328 -0.932 20 0 DBADRM COC1CCN(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)CC1 ZINC001599124832 1017520216 /nfs/dbraw/zinc/52/02/16/1017520216.db2.gz SEXBKXBNPULPRZ-NSHDSACASA-N -1 0 324.424 -0.108 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)NC3(C(=O)[O-])CC(CO)C3)nc2C1 ZINC001599126788 1017520238 /nfs/dbraw/zinc/52/02/38/1017520238.db2.gz BIPISVQUJMORHK-KGXJWFGYSA-N -1 0 323.349 -0.200 20 0 DBADRM CO[C@@H]1CCN(Cc2nnc3c(=O)[nH]ccn23)[C@@H](C(=O)[O-])C1 ZINC001599124217 1017520431 /nfs/dbraw/zinc/52/04/31/1017520431.db2.gz PARYAGQNLQMRKB-RKDXNWHRSA-N -1 0 307.310 -0.518 20 0 DBADRM CO[C@H]1CN(C(=O)C2=C3CCCN=C3NN2)[C@](C)(C(=O)[O-])C1 ZINC001599131873 1017521054 /nfs/dbraw/zinc/52/10/54/1017521054.db2.gz DLMVOHFHUUVRJS-CLAHSXSESA-N -1 0 308.338 -0.369 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)C[C@H]2CCOC2)[C@H](C(=O)[O-])C1 ZINC001599124239 1017521282 /nfs/dbraw/zinc/52/12/82/1017521282.db2.gz PRZNXUSOPVGEGD-AXFHLTTASA-N -1 0 307.368 -0.083 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)c2cnnn2C)[C@H](C(=O)[O-])C1 ZINC001599126622 1017521552 /nfs/dbraw/zinc/52/15/52/1017521552.db2.gz LFIFTBPQHSJEIS-SFYZADRCSA-N -1 0 304.328 -0.932 20 0 DBADRM CO[C@@H]1CN(C(=O)CCn2cnccc2=O)[C@@](C)(C(=O)[O-])C1 ZINC001599132972 1017521812 /nfs/dbraw/zinc/52/18/12/1017521812.db2.gz HKGNBIIXLWLBJI-IINYFYTJSA-N -1 0 309.322 -0.276 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)[C@](C)(C(=O)[O-])C1 ZINC001599129795 1017521916 /nfs/dbraw/zinc/52/19/16/1017521916.db2.gz GSWLRMHGJCVISO-ITMYJUKJSA-N -1 0 324.337 -0.363 20 0 DBADRM CO[C@H]1CN(C(=O)CS(=O)(=O)C2CC2)[C@](C)(C(=O)[O-])C1 ZINC001599131522 1017521936 /nfs/dbraw/zinc/52/19/36/1017521936.db2.gz AUHFLCZLFZZWEX-PELKAZGASA-N -1 0 305.352 -0.346 20 0 DBADRM CO[C@@H]1CN(C(=O)Cn2cc([C@@H](C)O)nn2)[C@](C)(C(=O)[O-])C1 ZINC001599135906 1017523039 /nfs/dbraw/zinc/52/30/39/1017523039.db2.gz XRFQBPPOLFAJAG-ZDMBXUJBSA-N -1 0 312.326 -0.578 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599137582 1017523669 /nfs/dbraw/zinc/52/36/69/1017523669.db2.gz HBBSEMRGWDOCCP-GHMZBOCLSA-N -1 0 316.354 -0.475 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2csnc2C(=O)[O-])CCO1 ZINC001599136219 1017524357 /nfs/dbraw/zinc/52/43/57/1017524357.db2.gz BCKLQHYITDRPHJ-ZETCQYMHSA-N -1 0 308.337 -0.165 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001599137246 1017523863 /nfs/dbraw/zinc/52/38/63/1017523863.db2.gz DCUGKRYUFCCEMF-GARJFASQSA-N -1 0 317.338 -0.240 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)CCn2cccn2)[C@](C)(C(=O)[O-])C1 ZINC001599136420 1017524400 /nfs/dbraw/zinc/52/44/00/1017524400.db2.gz HLORYPAMSQQKGG-PWSUYJOCSA-N -1 0 317.367 -0.223 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)CCn2cccn2)[C@@](C)(C(=O)[O-])C1 ZINC001599136418 1017524595 /nfs/dbraw/zinc/52/45/95/1017524595.db2.gz HLORYPAMSQQKGG-CMPLNLGQSA-N -1 0 317.367 -0.223 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001599137876 1017525290 /nfs/dbraw/zinc/52/52/90/1017525290.db2.gz IMZBQJIGQKCNQH-UZWSLXQKSA-N -1 0 301.339 -0.136 20 0 DBADRM COCC(=O)N1CC[C@@](C)(CNc2ccnc(C(=O)[O-])n2)C1 ZINC001599139705 1017525339 /nfs/dbraw/zinc/52/53/39/1017525339.db2.gz PRLIEZWHPPQTDZ-AWEZNQCLSA-N -1 0 308.338 -0.106 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cc(C(=O)[O-])c(C)n1C ZINC001599140347 1017525455 /nfs/dbraw/zinc/52/54/55/1017525455.db2.gz OQVVHBRWAXBXAU-NWDGAFQWSA-N -1 0 316.379 -0.067 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1 ZINC001599139668 1017526132 /nfs/dbraw/zinc/52/61/32/1017526132.db2.gz OWOVCZHBQVMMHW-CKYFFXLPSA-N -1 0 314.338 -0.818 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001599140464 1017526135 /nfs/dbraw/zinc/52/61/35/1017526135.db2.gz SHFDWUNIHUUBDW-DDHJBXDOSA-N -1 0 301.339 -0.278 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccoc1CC(=O)[O-] ZINC001599140381 1017526168 /nfs/dbraw/zinc/52/61/68/1017526168.db2.gz OWHIHKPWLISINS-SCZZXKLOSA-N -1 0 317.319 -0.552 20 0 DBADRM COCC(=O)N(C)CC(C)(C)CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001599140048 1017526455 /nfs/dbraw/zinc/52/64/55/1017526455.db2.gz VIXPNWDMZJRBNZ-UWVGGRQHSA-N -1 0 300.355 -0.046 20 0 DBADRM COCC(=O)NC1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC001599142891 1017527801 /nfs/dbraw/zinc/52/78/01/1017527801.db2.gz NAFDLMULJPDPHL-UHFFFAOYSA-N -1 0 318.395 -0.052 20 0 DBADRM COCC(=O)NCCC1(CNc2ccnc(C(=O)[O-])n2)CC1 ZINC001599143264 1017528913 /nfs/dbraw/zinc/52/89/13/1017528913.db2.gz QKFNMYAAQHGSFQ-UHFFFAOYSA-N -1 0 308.338 -0.059 20 0 DBADRM COCC(=O)N(C)[C@@H](CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001599140869 1017528964 /nfs/dbraw/zinc/52/89/64/1017528964.db2.gz GGBIKCCVVRWRIQ-JTQLQIEISA-N -1 0 308.338 -0.108 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001599141476 1017529102 /nfs/dbraw/zinc/52/91/02/1017529102.db2.gz OMTXZVAJUFUQFJ-ZDUSSCGKSA-N -1 0 310.306 -0.261 20 0 DBADRM COCC(=O)N(C)CC(=O)N1CCCC[C@@]1(COC)C(=O)[O-] ZINC001599141486 1017529217 /nfs/dbraw/zinc/52/92/17/1017529217.db2.gz ORSFKAUPUVLCBK-CQSZACIVSA-N -1 0 316.354 -0.427 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(C(=O)[O-])oc1C ZINC001599142136 1017529285 /nfs/dbraw/zinc/52/92/85/1017529285.db2.gz YMTMZUGJEMYFAO-SCZZXKLOSA-N -1 0 317.319 -0.172 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CN1CCCCS1(=O)=O ZINC001599147396 1017530520 /nfs/dbraw/zinc/53/05/20/1017530520.db2.gz UWOXJVAXJJVENL-LBPRGKRZSA-N -1 0 322.383 -0.592 20 0 DBADRM COCC(C)(C)C(=O)NCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001599143952 1017530873 /nfs/dbraw/zinc/53/08/73/1017530873.db2.gz MWFQACCLULNWLI-UWVGGRQHSA-N -1 0 300.355 -0.046 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001599147189 1017531070 /nfs/dbraw/zinc/53/10/70/1017531070.db2.gz PFIVKKUYUBTVBC-BFVZDQMLSA-N -1 0 316.354 -0.205 20 0 DBADRM COCC(=O)NC[C@H]1CN(c2ncc(C(=O)[O-])cn2)CCCO1 ZINC001599143565 1017531095 /nfs/dbraw/zinc/53/10/95/1017531095.db2.gz XLWARHDEFQUFID-NSHDSACASA-N -1 0 324.337 -0.467 20 0 DBADRM COC[C@@](C)(NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC001599153401 1017532660 /nfs/dbraw/zinc/53/26/60/1017532660.db2.gz WKKQXVGCTCBXBI-VYUIOLGVSA-N -1 0 302.327 -0.595 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)Cc1noc(C2CC2)n1)C(=O)[O-] ZINC001599155381 1017532832 /nfs/dbraw/zinc/53/28/32/1017532832.db2.gz SHZYNSARERUMLS-LLVKDONJSA-N -1 0 319.339 -0.144 20 0 DBADRM COC[C@@](C)(NC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1)C(=O)[O-] ZINC001599151366 1017532906 /nfs/dbraw/zinc/53/29/06/1017532906.db2.gz MTIWYVSINMJKHG-SMDDNHRTSA-N -1 0 324.337 -0.173 20 0 DBADRM COC[C@](C)(NS(=O)(=O)Cc1noc(C2CC2)n1)C(=O)[O-] ZINC001599155382 1017533146 /nfs/dbraw/zinc/53/31/46/1017533146.db2.gz SHZYNSARERUMLS-NSHDSACASA-N -1 0 319.339 -0.144 20 0 DBADRM COC[C@@](C)(NC(=O)CN1CCCCC(=O)C1=O)C(=O)[O-] ZINC001599153315 1017533283 /nfs/dbraw/zinc/53/32/83/1017533283.db2.gz OLTVIICHJOGFBB-CYBMUJFWSA-N -1 0 300.311 -0.826 20 0 DBADRM COC[C@@](C)(N[C@@H]1CCN(C2CCOCC2)C1=O)C(=O)[O-] ZINC001599154583 1017533360 /nfs/dbraw/zinc/53/33/60/1017533360.db2.gz OSOYUWRXHQNGCV-BXUZGUMPSA-N -1 0 300.355 -0.154 20 0 DBADRM COC[C@H]([C@@H]1CCCO1)N1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC001599158313 1017534416 /nfs/dbraw/zinc/53/44/16/1017534416.db2.gz ADUIQIIMBHVNLO-MVCUBJFGSA-N -1 0 312.322 -0.179 20 0 DBADRM COC[C@H](C)[C@@H](C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001599157235 1017535075 /nfs/dbraw/zinc/53/50/75/1017535075.db2.gz BYOIEJKTHVAICQ-MPXOCVNLSA-N -1 0 321.395 -0.091 20 0 DBADRM COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC001599156757 1017535486 /nfs/dbraw/zinc/53/54/86/1017535486.db2.gz QFGWZKKSQBRNGE-LBPRGKRZSA-N -1 0 316.335 -0.102 20 0 DBADRM COC[C@@](C)(O)C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001599156572 1017535543 /nfs/dbraw/zinc/53/55/43/1017535543.db2.gz MSBFUDPDYKWXAN-CYBMUJFWSA-N -1 0 312.326 -0.463 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001599158101 1017535748 /nfs/dbraw/zinc/53/57/48/1017535748.db2.gz AYJCYRXHIWWIPT-LPEHRKFASA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@@H](CS(=O)(=O)NCc1ccc(C(=O)[O-])nc1)OC ZINC001599164430 1017536461 /nfs/dbraw/zinc/53/64/61/1017536461.db2.gz IPKIXVIMBMYGIV-JTQLQIEISA-N -1 0 318.351 -0.139 20 0 DBADRM COC[C@H](CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)OC ZINC001599163256 1017536750 /nfs/dbraw/zinc/53/67/50/1017536750.db2.gz CPUQQQVDOAAMLQ-VIFPVBQESA-N -1 0 313.310 -0.561 20 0 DBADRM COC[C@@H](CCO)NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001599163529 1017537426 /nfs/dbraw/zinc/53/74/26/1017537426.db2.gz MCSNFMNVFRIHKO-LLVKDONJSA-N -1 0 317.363 -0.011 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1)C(=O)[O-] ZINC001599165385 1017537606 /nfs/dbraw/zinc/53/76/06/1017537606.db2.gz CXGMGZRMSLFNGL-MDZLAQPJSA-N -1 0 321.333 -0.183 20 0 DBADRM COC[C@H](CCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)OC ZINC001599162812 1017537614 /nfs/dbraw/zinc/53/76/14/1017537614.db2.gz KXGRTBIVSUWJLH-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@@H](CO)NC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001599165312 1017538326 /nfs/dbraw/zinc/53/83/26/1017538326.db2.gz GWDWZPQLHHJQGC-GFCCVEGCSA-N -1 0 324.333 -0.234 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CCc2nnc(C3CC3)n2C1)C(=O)[O-] ZINC001599168211 1017539213 /nfs/dbraw/zinc/53/92/13/1017539213.db2.gz VHCHXXLRZVXWIG-VHSXEESVSA-N -1 0 308.338 -0.066 20 0 DBADRM COC[C@@H](NC(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001599166397 1017539229 /nfs/dbraw/zinc/53/92/29/1017539229.db2.gz BCMXJKLDRAGKSI-SNVBAGLBSA-N -1 0 322.383 -0.736 20 0 DBADRM COC[C@H](CS(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1)OC ZINC001599165917 1017539355 /nfs/dbraw/zinc/53/93/55/1017539355.db2.gz VPFOXOSENJRALV-MWLCHTKSSA-N -1 0 311.356 -0.799 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CCc2nnc(C3CC3)n2C1)C(=O)[O-] ZINC001599168212 1017539578 /nfs/dbraw/zinc/53/95/78/1017539578.db2.gz VHCHXXLRZVXWIG-ZJUUUORDSA-N -1 0 308.338 -0.066 20 0 DBADRM COC[C@H](NC(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1)C(=O)[O-] ZINC001599166842 1017539728 /nfs/dbraw/zinc/53/97/28/1017539728.db2.gz HHJNDEVJFVTMGR-GARJFASQSA-N -1 0 317.338 -0.097 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1)C(=O)[O-] ZINC001599167573 1017539792 /nfs/dbraw/zinc/53/97/92/1017539792.db2.gz SYCWLHRSUWVPPV-QWRGUYRKSA-N -1 0 310.310 -0.563 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1cc(C)sc1C(=O)[O-] ZINC001599167410 1017539947 /nfs/dbraw/zinc/53/99/47/1017539947.db2.gz UWZYGHGJUUJXFN-ZETCQYMHSA-N -1 0 316.335 -0.183 20 0 DBADRM COC[C@H](NC(=O)CCCNC(=O)c1cccnc1)C(=O)[O-] ZINC001599166853 1017539959 /nfs/dbraw/zinc/53/99/59/1017539959.db2.gz HHXCSUZXFHMZGW-NSHDSACASA-N -1 0 309.322 -0.193 20 0 DBADRM COC[C@@H](NC(=O)Cn1cc(C(N)=O)c2ccccc21)C(=O)[O-] ZINC001599170720 1017541263 /nfs/dbraw/zinc/54/12/63/1017541263.db2.gz YDIXNVGKGVGORR-LLVKDONJSA-N -1 0 319.317 -0.044 20 0 DBADRM COC[C@@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)C(=O)OC ZINC001599168646 1017541501 /nfs/dbraw/zinc/54/15/01/1017541501.db2.gz GTMDAYUCFDONBZ-SNVBAGLBSA-N -1 0 313.310 -0.334 20 0 DBADRM COC[C@H](NC(=O)C(C)(C)NC(=O)COC(C)(C)C)C(=O)[O-] ZINC001599170607 1017541930 /nfs/dbraw/zinc/54/19/30/1017541930.db2.gz YVZOSTCSSCYVCK-VIFPVBQESA-N -1 0 318.370 -0.088 20 0 DBADRM COC[C@H](NC(=O)c1ncccc1S(C)(=O)=O)C(=O)[O-] ZINC001599175276 1017542086 /nfs/dbraw/zinc/54/20/86/1017542086.db2.gz FSQZGZWQFNHMBK-ZETCQYMHSA-N -1 0 302.308 -0.686 20 0 DBADRM COC[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@@H]1CCCO1 ZINC001599178023 1017543194 /nfs/dbraw/zinc/54/31/94/1017543194.db2.gz UZMIKRHUPNRBLN-IUCAKERBSA-N -1 0 319.339 -0.420 20 0 DBADRM COC[C@@H](O)C(=O)OCC(=O)N(C)c1ccccc1C(=O)[O-] ZINC001599178438 1017543406 /nfs/dbraw/zinc/54/34/06/1017543406.db2.gz QLIWRKCAZBQADA-LLVKDONJSA-N -1 0 311.290 -0.102 20 0 DBADRM COC[C@@H](O)CCNS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599178892 1017543494 /nfs/dbraw/zinc/54/34/94/1017543494.db2.gz FCSPIARCDLZFSE-QMMMGPOBSA-N -1 0 307.324 -0.038 20 0 DBADRM COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001599178065 1017543809 /nfs/dbraw/zinc/54/38/09/1017543809.db2.gz IRWAGBMMDANOKC-NSHDSACASA-N -1 0 310.306 -0.163 20 0 DBADRM COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001599178473 1017543988 /nfs/dbraw/zinc/54/39/88/1017543988.db2.gz SEDNSMLMUDWGBW-LBPRGKRZSA-N -1 0 324.333 -0.234 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccn1)C(=O)[O-] ZINC001599178412 1017544601 /nfs/dbraw/zinc/54/46/01/1017544601.db2.gz ZWGSJOJQOIKHER-MRVPVSSYSA-N -1 0 318.307 -0.754 20 0 DBADRM COC[C@@H](NS(=O)(=O)C1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC001599176266 1017544844 /nfs/dbraw/zinc/54/48/44/1017544844.db2.gz GFIFTWWIDOSIAJ-UDNWOFFPSA-N -1 0 323.367 -0.263 20 0 DBADRM COC[C@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001599178064 1017545161 /nfs/dbraw/zinc/54/51/61/1017545161.db2.gz IRWAGBMMDANOKC-LLVKDONJSA-N -1 0 310.306 -0.163 20 0 DBADRM COC[C@H](OC)C(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001599185364 1017546873 /nfs/dbraw/zinc/54/68/73/1017546873.db2.gz BVEHPULTJQGBFK-BDAKNGLRSA-N -1 0 312.326 -0.825 20 0 DBADRM COC[C@@H](OC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C(=O)[O-] ZINC001599180884 1017547278 /nfs/dbraw/zinc/54/72/78/1017547278.db2.gz RXWLIWISIOGWQB-ZYCKWHBGSA-N -1 0 300.263 -0.650 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001599181013 1017547290 /nfs/dbraw/zinc/54/72/90/1017547290.db2.gz FROHRLKYCOJMCP-VHSXEESVSA-N -1 0 324.337 -0.469 20 0 DBADRM COCC1(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001599185488 1017547386 /nfs/dbraw/zinc/54/73/86/1017547386.db2.gz ZKJAAVHGUWCCQF-HNNXBMFYSA-N -1 0 312.366 -0.199 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCCN1CC(=O)N1CCOCC1 ZINC001599186979 1017547534 /nfs/dbraw/zinc/54/75/34/1017547534.db2.gz BTLGHKPRZODBEI-CQSZACIVSA-N -1 0 300.355 -0.199 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)Cn1cc([C@@H](C)O)nn1 ZINC001599190293 1017548369 /nfs/dbraw/zinc/54/83/69/1017548369.db2.gz KVMQXTDSGZYKJC-NOZJJQNGSA-N -1 0 312.326 -0.576 20 0 DBADRM COC[C@@]1(CO)CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001599200888 1017550090 /nfs/dbraw/zinc/55/00/90/1017550090.db2.gz KHQNDBZOUHFTMQ-NSHDSACASA-N -1 0 319.339 -0.873 20 0 DBADRM COC[C@H]1CCN(C(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)C1 ZINC001599203866 1017550236 /nfs/dbraw/zinc/55/02/36/1017550236.db2.gz OIFFLBFQAFZLSU-IINYFYTJSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@@]1(CO)CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001599200885 1017550285 /nfs/dbraw/zinc/55/02/85/1017550285.db2.gz KGXFTCUFGPTEAP-HNNXBMFYSA-N -1 0 324.333 -0.596 20 0 DBADRM COC[C@@]1(CO)CCN(C(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)C1 ZINC001599201467 1017550353 /nfs/dbraw/zinc/55/03/53/1017550353.db2.gz URZIHNLNROOYGQ-RMIALFOJSA-N -1 0 301.339 -0.278 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)C1 ZINC001599201594 1017550617 /nfs/dbraw/zinc/55/06/17/1017550617.db2.gz KPLMHOONHYOAEI-UHFFFAOYSA-N -1 0 316.335 -0.530 20 0 DBADRM COC[C@@H]1CCCN1C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599203538 1017550696 /nfs/dbraw/zinc/55/06/96/1017550696.db2.gz ICTLBEODOLQCMP-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1c1nnnn1C[C@H]1CCOC1 ZINC001599196250 1017551017 /nfs/dbraw/zinc/55/10/17/1017551017.db2.gz XFLWGJMHRDDQIK-MFKMUULPSA-N -1 0 311.342 -0.220 20 0 DBADRM COC[C@]1(C)CN([C@H]2CCN(CCC(=O)[O-])C2=O)CCO1 ZINC001599195815 1017551389 /nfs/dbraw/zinc/55/13/89/1017551389.db2.gz WIPVBBAAHAGUER-FZMZJTMJSA-N -1 0 300.355 -0.201 20 0 DBADRM COCC1(Cn2nnnc2N2CCO[C@@H](C(=O)[O-])C2)CCC1 ZINC001599199989 1017551572 /nfs/dbraw/zinc/55/15/72/1017551572.db2.gz DLQYTPYAEJMFEN-SNVBAGLBSA-N -1 0 311.342 -0.220 20 0 DBADRM COCC1(S(=O)(=O)NCCC(=O)NCCC(=O)[O-])CCC1 ZINC001599202067 1017551683 /nfs/dbraw/zinc/55/16/83/1017551683.db2.gz POMOZISYNYPENM-UHFFFAOYSA-N -1 0 322.383 -0.544 20 0 DBADRM COC[C@H]1COCCN1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599208255 1017552796 /nfs/dbraw/zinc/55/27/96/1017552796.db2.gz QZFJWKOBDYMWNK-GUBZILKMSA-N -1 0 317.342 -0.979 20 0 DBADRM COC[C@@H]1CCN(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])C1 ZINC001599205849 1017553169 /nfs/dbraw/zinc/55/31/69/1017553169.db2.gz WPTFLSXJVWPCLV-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CCO1 ZINC001599206655 1017553350 /nfs/dbraw/zinc/55/33/50/1017553350.db2.gz PHDKNMGEYORPKH-GHMZBOCLSA-N -1 0 312.322 -0.850 20 0 DBADRM COC[C@H]1CCN1C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001599207727 1017553517 /nfs/dbraw/zinc/55/35/17/1017553517.db2.gz ZSZNAUKJEFXFCS-SECBINFHSA-N -1 0 310.310 -0.538 20 0 DBADRM COC[C@H]1CCCN1C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001599203873 1017554008 /nfs/dbraw/zinc/55/40/08/1017554008.db2.gz OKFYOYDOBZBXQS-SNVBAGLBSA-N -1 0 324.337 -0.148 20 0 DBADRM COC[C@H]1COCCN1Cn1nc(C(=O)OC)cc1C(=O)[O-] ZINC001599208320 1017554110 /nfs/dbraw/zinc/55/41/10/1017554110.db2.gz RPQZDECFFBNSIN-VIFPVBQESA-N -1 0 313.310 -0.327 20 0 DBADRM COCC[C@@H](COC)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001599211989 1017554871 /nfs/dbraw/zinc/55/48/71/1017554871.db2.gz QFMVPIZWZNFCCJ-WDEREUQCSA-N -1 0 316.354 -0.523 20 0 DBADRM COCC[C@H](COC)NC(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001599211537 1017554903 /nfs/dbraw/zinc/55/49/03/1017554903.db2.gz LSPFMRNWHYNJDU-AXFHLTTASA-N -1 0 304.343 -0.173 20 0 DBADRM COCC[C@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)C(N)=O ZINC001599212956 1017555450 /nfs/dbraw/zinc/55/54/50/1017555450.db2.gz PQYKKLUNCVIMAO-ZETCQYMHSA-N -1 0 316.339 -0.218 20 0 DBADRM COCC[C@H](NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)C(=O)[O-] ZINC001599214249 1017555656 /nfs/dbraw/zinc/55/56/56/1017555656.db2.gz BXKVAUVDNRNTSI-ONGXEEELSA-N -1 0 310.310 -0.481 20 0 DBADRM COCC[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)[O-])C(N)=O ZINC001599213143 1017555761 /nfs/dbraw/zinc/55/57/61/1017555761.db2.gz LYYFGIMWBOLEEC-JTQLQIEISA-N -1 0 323.305 -0.670 20 0 DBADRM COCC[C@@H](NC(=O)CCn1c(C)cc(O)cc1=O)C(=O)[O-] ZINC001599214144 1017556442 /nfs/dbraw/zinc/55/64/42/1017556442.db2.gz CZJRIRFOYDGBQG-LLVKDONJSA-N -1 0 312.322 -0.142 20 0 DBADRM COCC[C@H](NC(=O)c1coc(CS(C)(=O)=O)n1)C(=O)[O-] ZINC001599218422 1017557313 /nfs/dbraw/zinc/55/73/13/1017557313.db2.gz QLBZMKDMCOCMNS-ZETCQYMHSA-N -1 0 320.323 -0.561 20 0 DBADRM COCC[C@H](NC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1)C(=O)[O-] ZINC001599215788 1017557574 /nfs/dbraw/zinc/55/75/74/1017557574.db2.gz RHMNZWBNABZWNE-CMPLNLGQSA-N -1 0 324.337 -0.173 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1c[nH]c2ncncc12)C(=O)[O-] ZINC001599219643 1017558073 /nfs/dbraw/zinc/55/80/73/1017558073.db2.gz UURHEQQLGQIMPH-MRVPVSSYSA-N -1 0 314.323 -0.323 20 0 DBADRM COCC[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OC ZINC001599219014 1017558510 /nfs/dbraw/zinc/55/85/10/1017558510.db2.gz MNFODBRNTFSQCS-QMMMGPOBSA-N -1 0 311.356 -0.405 20 0 DBADRM COCC[C@H](NC(=O)c1cc(N2CCOCC2)ncn1)C(=O)[O-] ZINC001599216448 1017558871 /nfs/dbraw/zinc/55/88/71/1017558871.db2.gz VYBGVTKFUYCPJE-JTQLQIEISA-N -1 0 324.337 -0.467 20 0 DBADRM COCCCn1nccc1C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599229475 1017559763 /nfs/dbraw/zinc/55/97/63/1017559763.db2.gz NYZINHBQCSMIDZ-QWRGUYRKSA-N -1 0 312.370 -0.013 20 0 DBADRM COCCCN1CC(CCO)(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599222652 1017560035 /nfs/dbraw/zinc/56/00/35/1017560035.db2.gz BWOPLDLMKXOMMY-QWRGUYRKSA-N -1 0 300.355 -0.703 20 0 DBADRM COCCCn1nc(C(=O)N[C@@H](CF)C(=O)[O-])ccc1=O ZINC001599228925 1017560091 /nfs/dbraw/zinc/56/00/91/1017560091.db2.gz HSTOORNYOCLQOL-VIFPVBQESA-N -1 0 301.274 -0.568 20 0 DBADRM COCCC1CN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001599221583 1017560442 /nfs/dbraw/zinc/56/04/42/1017560442.db2.gz VNGLYPLQSWVMGR-UHFFFAOYSA-N -1 0 301.343 -0.355 20 0 DBADRM COCCCCCNC(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001599222089 1017560777 /nfs/dbraw/zinc/56/07/77/1017560777.db2.gz AXKAQNIOZVWDLB-CQSZACIVSA-N -1 0 316.354 -0.379 20 0 DBADRM COCCCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1 ZINC001599222411 1017561228 /nfs/dbraw/zinc/56/12/28/1017561228.db2.gz GOQCVSHZTLDNSM-SNVBAGLBSA-N -1 0 305.356 -0.108 20 0 DBADRM COCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)[C@H]1CCOC1 ZINC001599233679 1017562674 /nfs/dbraw/zinc/56/26/74/1017562674.db2.gz UDWMFBOYNJPFSQ-AAEUAGOBSA-N -1 0 302.371 -0.051 20 0 DBADRM COCCN(C(=O)C(=O)NCCCC(=O)[O-])C1CCOCC1 ZINC001599229938 1017562528 /nfs/dbraw/zinc/56/25/28/1017562528.db2.gz WVMCKZOFECZZJM-UHFFFAOYSA-N -1 0 316.354 -0.379 20 0 DBADRM COCCCN1C(=O)N=NC1SCC(=O)NCC(=O)[O-] ZINC001599230355 1017565046 /nfs/dbraw/zinc/56/50/46/1017565046.db2.gz SDMARGFIXIVBGQ-UHFFFAOYSA-N -1 0 304.328 -0.687 20 0 DBADRM COCCN([C@H](C)C(N)=O)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001599232925 1017565182 /nfs/dbraw/zinc/56/51/82/1017565182.db2.gz XWYXPAZTVQOZRR-SECBINFHSA-N -1 0 322.383 -0.607 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001599236120 1017566034 /nfs/dbraw/zinc/56/60/34/1017566034.db2.gz ZVLACKYNMKZKKU-UHFFFAOYSA-N -1 0 315.282 -0.540 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CC1 ZINC001599235093 1017566500 /nfs/dbraw/zinc/56/65/00/1017566500.db2.gz OEHHDBHSBRWCGO-UHFFFAOYSA-N -1 0 309.340 -0.698 20 0 DBADRM COCCNC(=O)C1(NC(=O)Cc2ccc(C(=O)[O-])nc2)CC1 ZINC001599242192 1017568865 /nfs/dbraw/zinc/56/88/65/1017568865.db2.gz PTDQXZSQXSPFIZ-UHFFFAOYSA-N -1 0 321.333 -0.266 20 0 DBADRM COCCNC(=O)CN1CC[NH+](CC2(CC(=O)[O-])CC2)CC1 ZINC001599243057 1017568948 /nfs/dbraw/zinc/56/89/48/1017568948.db2.gz WYNPVBAICUIDEZ-UHFFFAOYSA-N -1 0 313.398 -0.379 20 0 DBADRM COCCN1CCCN(C(=O)NCC2(C(=O)[O-])CC2)CC1=O ZINC001599240413 1017569157 /nfs/dbraw/zinc/56/91/57/1017569157.db2.gz LZIQYBPUPJAMLL-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM COCCNc1nc(CC(=O)N[C@@H](CO)C(=O)[O-])cs1 ZINC001599245734 1017571012 /nfs/dbraw/zinc/57/10/12/1017571012.db2.gz CZKBOPGFMVJGRU-QMMMGPOBSA-N -1 0 303.340 -0.694 20 0 DBADRM COCCOC[C@H]1CCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001599250279 1017571045 /nfs/dbraw/zinc/57/10/45/1017571045.db2.gz WWUSIVJZQJPDSQ-UWVGGRQHSA-N -1 0 320.317 -0.963 20 0 DBADRM COCCNc1nc(CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cs1 ZINC001599245674 1017572059 /nfs/dbraw/zinc/57/20/59/1017572059.db2.gz BYBIEXMKZNDGRZ-XCBNKYQSSA-N -1 0 317.367 -0.306 20 0 DBADRM COCCO[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001599250134 1017572349 /nfs/dbraw/zinc/57/23/49/1017572349.db2.gz SCWLTICKKZBXFD-MRVPVSSYSA-N -1 0 319.339 -0.466 20 0 DBADRM COCCOCCS(=O)(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001599251853 1017573410 /nfs/dbraw/zinc/57/34/10/1017573410.db2.gz SBVZSZTYJSPSGT-UHFFFAOYSA-N -1 0 307.328 -0.628 20 0 DBADRM COCCOCCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599251276 1017573552 /nfs/dbraw/zinc/57/35/52/1017573552.db2.gz HBGCUXZKUVCXAI-LLVKDONJSA-N -1 0 304.343 -0.484 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1ccccn1 ZINC001599261809 1017573624 /nfs/dbraw/zinc/57/36/24/1017573624.db2.gz BUSAGCJIPIYZMS-NSHDSACASA-N -1 0 316.335 -0.615 20 0 DBADRM COCCOCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001599251561 1017574219 /nfs/dbraw/zinc/57/42/19/1017574219.db2.gz NZRUCVDWZOXDMT-QWHCGFSZSA-N -1 0 314.382 -0.096 20 0 DBADRM COCCOCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001599251559 1017574302 /nfs/dbraw/zinc/57/43/02/1017574302.db2.gz NZRUCVDWZOXDMT-OLZOCXBDSA-N -1 0 314.382 -0.096 20 0 DBADRM COCCOCCS(=O)(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001599251478 1017574570 /nfs/dbraw/zinc/57/45/70/1017574570.db2.gz HTZDPWNNEIJQQR-LLVKDONJSA-N -1 0 311.356 -0.845 20 0 DBADRM COCCc1noc(COC(=O)Cn2cc(C(=O)[O-])cn2)n1 ZINC001599265373 1017575631 /nfs/dbraw/zinc/57/56/31/1017575631.db2.gz PKKHNKLXCSMIJO-UHFFFAOYSA-N -1 0 310.266 -0.103 20 0 DBADRM COCCS(=O)(=O)CC(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001599262708 1017575757 /nfs/dbraw/zinc/57/57/57/1017575757.db2.gz LSJLEGUHPRBLJK-UHFFFAOYSA-N -1 0 303.296 -0.826 20 0 DBADRM COCCS(=O)(=O)CC(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC001599262444 1017575808 /nfs/dbraw/zinc/57/58/08/1017575808.db2.gz SPMBKIFRQQOYMD-SECBINFHSA-N -1 0 307.368 -0.098 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12 ZINC001599262547 1017575867 /nfs/dbraw/zinc/57/58/67/1017575867.db2.gz YKOLVQJRBLBNHL-ZRUFSTJUSA-N -1 0 319.379 -0.337 20 0 DBADRM COCCn1cc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)ccc1=O ZINC001599270103 1017576145 /nfs/dbraw/zinc/57/61/45/1017576145.db2.gz URQGRHSBBQVUSM-NEPJUHHUSA-N -1 0 324.333 -0.598 20 0 DBADRM COCCc1noc(CN2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001599264957 1017576903 /nfs/dbraw/zinc/57/69/03/1017576903.db2.gz LENJXMCUQLWSHX-ZJUUUORDSA-N -1 0 324.337 -0.720 20 0 DBADRM COCCn1nc(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])ccc1=O ZINC001599274200 1017577665 /nfs/dbraw/zinc/57/76/65/1017577665.db2.gz NKTYLEPKLABURA-WPRPVWTQSA-N -1 0 313.285 -0.473 20 0 DBADRM COCCn1nc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)ccc1=O ZINC001599274512 1017577991 /nfs/dbraw/zinc/57/79/91/1017577991.db2.gz ZTWCKZRZGOLMDZ-JTQLQIEISA-N -1 0 307.306 -0.207 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)cn1 ZINC001599272459 1017578008 /nfs/dbraw/zinc/57/80/08/1017578008.db2.gz XEUYYURWGWTRRO-JTQLQIEISA-N -1 0 322.321 -0.242 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001599276691 1017578083 /nfs/dbraw/zinc/57/80/83/1017578083.db2.gz HTCKUSFLMLCFPU-IJLUTSLNSA-N -1 0 302.371 -0.317 20 0 DBADRM COCCn1cc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])c(C)n1 ZINC001599272637 1017578548 /nfs/dbraw/zinc/57/85/48/1017578548.db2.gz WGZQHDOVIYAKFV-GFCCVEGCSA-N -1 0 321.337 -0.082 20 0 DBADRM COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001599276350 1017578871 /nfs/dbraw/zinc/57/88/71/1017578871.db2.gz SGPOGZYRZKNMHT-JTQLQIEISA-N -1 0 310.306 -0.245 20 0 DBADRM COCCn1cc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)nn1 ZINC001599272526 1017579375 /nfs/dbraw/zinc/57/93/75/1017579375.db2.gz RKCGRWHWEAZDLW-JTQLQIEISA-N -1 0 308.298 -0.786 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001599277598 1017580280 /nfs/dbraw/zinc/58/02/80/1017580280.db2.gz ZSPYNGCQVDKJIM-VHSXEESVSA-N -1 0 318.351 -0.506 20 0 DBADRM COCc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)no1 ZINC001599279286 1017580404 /nfs/dbraw/zinc/58/04/04/1017580404.db2.gz PWTDDUSPGXFNSP-ZJUUUORDSA-N -1 0 323.305 -0.518 20 0 DBADRM COCc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])no1 ZINC001599279878 1017581110 /nfs/dbraw/zinc/58/11/10/1017581110.db2.gz ZPYUOPDCCHYGAP-SECBINFHSA-N -1 0 318.307 -0.855 20 0 DBADRM COCc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)no1 ZINC001599279285 1017581282 /nfs/dbraw/zinc/58/12/82/1017581282.db2.gz PWTDDUSPGXFNSP-VHSXEESVSA-N -1 0 323.305 -0.518 20 0 DBADRM COCc1ccccc1S(=O)(=O)N[C@](C)(CO)C(=O)[O-] ZINC001599296212 1017581702 /nfs/dbraw/zinc/58/17/02/1017581702.db2.gz FXKPWMMZPKRUMR-GFCCVEGCSA-N -1 0 303.336 -0.053 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001599277111 1017581857 /nfs/dbraw/zinc/58/18/57/1017581857.db2.gz RCOVPHVAAZREGW-DTWKUNHWSA-N -1 0 316.335 -0.450 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001599277378 1017582135 /nfs/dbraw/zinc/58/21/35/1017582135.db2.gz YLGMCUDLQCFOIP-IRCOFANPSA-N -1 0 301.339 -0.136 20 0 DBADRM COCn1nccc1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599309402 1017583150 /nfs/dbraw/zinc/58/31/50/1017583150.db2.gz XIFCZSJJILJYLZ-SECBINFHSA-N -1 0 319.339 -0.649 20 0 DBADRM COCn1nccc1S(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001599307603 1017583437 /nfs/dbraw/zinc/58/34/37/1017583437.db2.gz BZVCXDOSQINZPX-NSHDSACASA-N -1 0 319.339 -0.601 20 0 DBADRM CON(C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)[C@@H](C)CC(=O)[O-] ZINC001599308576 1017583505 /nfs/dbraw/zinc/58/35/05/1017583505.db2.gz BQHDWTHVLZNMHW-UWVGGRQHSA-N -1 0 322.383 -0.642 20 0 DBADRM CON(C(=O)CCC(=O)NCCNC(C)=O)[C@H](C)CC(=O)[O-] ZINC001599309083 1017583617 /nfs/dbraw/zinc/58/36/17/1017583617.db2.gz AYNZDRIQVAHYKJ-SECBINFHSA-N -1 0 317.342 -0.728 20 0 DBADRM COCc1nccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)n1 ZINC001599305470 1017583692 /nfs/dbraw/zinc/58/36/92/1017583692.db2.gz TZMYJWHSOHBQON-IUCAKERBSA-N -1 0 322.321 -0.117 20 0 DBADRM COCc1nn(C)cc1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599305689 1017583827 /nfs/dbraw/zinc/58/38/27/1017583827.db2.gz JNRDPSACFCUHLQ-UHFFFAOYSA-N -1 0 312.326 -0.723 20 0 DBADRM COCc1nnc2n1CCN(C(=O)NCCOCC(=O)[O-])C2 ZINC001599307919 1017584437 /nfs/dbraw/zinc/58/44/37/1017584437.db2.gz HZWPOVRDHAEQMO-UHFFFAOYSA-N -1 0 313.314 -0.949 20 0 DBADRM COCc1nocc1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC001599306682 1017584709 /nfs/dbraw/zinc/58/47/09/1017584709.db2.gz FYGCHHFFSGSSNZ-UHFFFAOYSA-N -1 0 310.266 -0.103 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1 ZINC001599315181 1017585683 /nfs/dbraw/zinc/58/56/83/1017585683.db2.gz PCRCRCIVXHCUOU-BBBLOLIVSA-N -1 0 302.327 -0.077 20 0 DBADRM CON1CCC(CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC001599318488 1017585716 /nfs/dbraw/zinc/58/57/16/1017585716.db2.gz LQCOFUYYYVDIPI-UWVGGRQHSA-N -1 0 315.370 -0.256 20 0 DBADRM CON(C(=O)CNC(=O)c1ncccc1O)[C@H](C)CC(=O)[O-] ZINC001599310584 1017586386 /nfs/dbraw/zinc/58/63/86/1017586386.db2.gz UEHKRVADIXGQQP-MRVPVSSYSA-N -1 0 311.294 -0.230 20 0 DBADRM CON1CCC(CC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001599318354 1017586527 /nfs/dbraw/zinc/58/65/27/1017586527.db2.gz KUZMAEPTSXOVQW-NWDGAFQWSA-N -1 0 300.355 -0.056 20 0 DBADRM CON(C)C(=O)[C@@H](C)NS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001599314273 1017586626 /nfs/dbraw/zinc/58/66/26/1017586626.db2.gz AFCGELGUTQBFKL-SECBINFHSA-N -1 0 322.383 -0.041 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001599315744 1017586888 /nfs/dbraw/zinc/58/68/88/1017586888.db2.gz YWPYDEQIANOLFF-UHFFFAOYSA-N -1 0 316.335 -0.009 20 0 DBADRM CON(C)C(=O)[C@H](C)N1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001599315083 1017587299 /nfs/dbraw/zinc/58/72/99/1017587299.db2.gz MFORRPNEVLHRCK-DJLDLDEBSA-N -1 0 313.310 -0.478 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cccnc2C(=O)[O-])C[C@H]1O ZINC001599323266 1017588248 /nfs/dbraw/zinc/58/82/48/1017588248.db2.gz GQLUPEZRINYGEO-HTQZYQBOSA-N -1 0 302.308 -0.840 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599323843 1017589046 /nfs/dbraw/zinc/58/90/46/1017589046.db2.gz FVRANCCYZOUALL-UMNHJUIQSA-N -1 0 318.351 -0.896 20 0 DBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001599323776 1017589389 /nfs/dbraw/zinc/58/93/89/1017589389.db2.gz CTQHGNFOGIWVSM-RKDXNWHRSA-N -1 0 304.324 -0.585 20 0 DBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001599322462 1017590145 /nfs/dbraw/zinc/59/01/45/1017590145.db2.gz QZQGMRVWOIYLKQ-VHSXEESVSA-N -1 0 308.356 -0.969 20 0 DBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001599321696 1017590222 /nfs/dbraw/zinc/59/02/22/1017590222.db2.gz FMJHLDFYUCZSCK-VHSXEESVSA-N -1 0 302.308 -0.528 20 0 DBADRM COc1c(C(=O)[O-])ncnc1N1CCC2(CC1)NC(=O)NC2=O ZINC001599332974 1017590915 /nfs/dbraw/zinc/59/09/15/1017590915.db2.gz PNNSENNGEMZXMX-UHFFFAOYSA-N -1 0 321.293 -0.638 20 0 DBADRM COc1c(N)ncnc1N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599335870 1017590991 /nfs/dbraw/zinc/59/09/91/1017590991.db2.gz QQIWFFYBSNOFSI-SSDOTTSWSA-N -1 0 305.298 -0.192 20 0 DBADRM COc1c2cnn(C)c2ncc1C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001599329050 1017591256 /nfs/dbraw/zinc/59/12/56/1017591256.db2.gz QAGRTNRPJPGWQK-AWEZNQCLSA-N -1 0 320.305 -0.050 20 0 DBADRM COc1c(C(=O)[O-])ncnc1N1CC[C@@H](NS(C)(=O)=O)C1 ZINC001599332366 1017592469 /nfs/dbraw/zinc/59/24/69/1017592469.db2.gz FANKWKVXAZOGQN-SSDOTTSWSA-N -1 0 316.339 -0.689 20 0 DBADRM COc1c(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])c(C)nn1C ZINC001599329055 1017592826 /nfs/dbraw/zinc/59/28/26/1017592826.db2.gz QHEKAFPVYCQNOX-QMMMGPOBSA-N -1 0 313.310 -0.317 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3cc(C(=O)[O-])no3)C[C@H]21 ZINC001599324783 1017592871 /nfs/dbraw/zinc/59/28/71/1017592871.db2.gz WGKJHRBNXHPQFN-GDPRMGEGSA-N -1 0 316.335 -0.383 20 0 DBADRM CO[C@H]1C[C@H](CNC(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001599326950 1017593140 /nfs/dbraw/zinc/59/31/40/1017593140.db2.gz ZNAZWLAHNGEMLW-MGCOHNPYSA-N -1 0 301.343 -0.308 20 0 DBADRM COc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])ncn1 ZINC001599351226 1017594003 /nfs/dbraw/zinc/59/40/03/1017594003.db2.gz VKHWKVTYEIMDDS-VIFPVBQESA-N -1 0 308.294 -0.709 20 0 DBADRM COc1cc(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)on1 ZINC001599349886 1017594074 /nfs/dbraw/zinc/59/40/74/1017594074.db2.gz IQGUPZVDGTVGMT-IUCAKERBSA-N -1 0 323.305 -0.313 20 0 DBADRM COc1cc(C(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])ccn1 ZINC001599354353 1017594670 /nfs/dbraw/zinc/59/46/70/1017594670.db2.gz SCRKZJZQVQFLTO-VHSXEESVSA-N -1 0 307.306 -0.343 20 0 DBADRM COc1cc(=O)[nH]cc1C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001599349468 1017595101 /nfs/dbraw/zinc/59/51/01/1017595101.db2.gz RLZBUMLXYMHMBI-MRVPVSSYSA-N -1 0 307.266 -0.730 20 0 DBADRM COc1c(NC(=O)NCC(=O)NCCO)cccc1C(=O)[O-] ZINC001599340234 1017595426 /nfs/dbraw/zinc/59/54/26/1017595426.db2.gz HXZKUZDNPZNGQD-UHFFFAOYSA-N -1 0 311.294 -0.377 20 0 DBADRM COc1cc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])ccn1 ZINC001599354333 1017595647 /nfs/dbraw/zinc/59/56/47/1017595647.db2.gz QPOOZTQWZNRAAA-GHMZBOCLSA-N -1 0 321.333 -0.001 20 0 DBADRM COc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)ccn1 ZINC001599351905 1017595673 /nfs/dbraw/zinc/59/56/73/1017595673.db2.gz JYRDFAJYIDHKQS-GHMZBOCLSA-N -1 0 319.317 -0.249 20 0 DBADRM COc1cc(CC(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])ccc1O ZINC001599396854 1017596362 /nfs/dbraw/zinc/59/63/62/1017596362.db2.gz PAPFXPGHNZEXGG-JTQLQIEISA-N -1 0 322.317 -0.303 20 0 DBADRM COc1cc(COCC(=O)NC2(C(=O)[O-])CC(CO)C2)ccn1 ZINC001599416976 1017597550 /nfs/dbraw/zinc/59/75/50/1017597550.db2.gz MGPNHAQWNUXQHK-UHFFFAOYSA-N -1 0 324.333 -0.051 20 0 DBADRM COc1cc(F)cc(CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])c1 ZINC001599426640 1017598089 /nfs/dbraw/zinc/59/80/89/1017598089.db2.gz WFAGSVFCGCVXKF-JTQLQIEISA-N -1 0 316.260 -0.011 20 0 DBADRM COc1cc(C=O)ccc1OCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001599397443 1017598250 /nfs/dbraw/zinc/59/82/50/1017598250.db2.gz WFSOTOWWVMQBIH-MNOVXSKESA-N -1 0 323.301 -0.067 20 0 DBADRM COc1cc(OC)c(C(=O)N2CC(O)(C(=O)[O-])C2)cc1C=O ZINC001599447418 1017599174 /nfs/dbraw/zinc/59/91/74/1017599174.db2.gz PJOXXLAZAGWJBI-UHFFFAOYSA-N -1 0 309.274 -0.212 20 0 DBADRM COc1cc(OC(=O)Cn2ncn(C)c2=O)ccc1C(=O)[O-] ZINC001599445468 1017599267 /nfs/dbraw/zinc/59/92/67/1017599267.db2.gz IEWNZGLCYZQJRX-UHFFFAOYSA-N -1 0 307.262 -0.106 20 0 DBADRM COc1ccc(C(=O)NC[C@@H](O)CC(=O)[O-])cc1OCCO ZINC001599482500 1017599726 /nfs/dbraw/zinc/59/97/26/1017599726.db2.gz XULIJASTGWNDML-JTQLQIEISA-N -1 0 313.306 -0.368 20 0 DBADRM COc1ccc([C@H](NC(=O)[C@H]2COC(=O)N2)C(=O)[O-])cc1O ZINC001599522792 1017601933 /nfs/dbraw/zinc/60/19/33/1017601933.db2.gz KLFDXGNFEIRZOG-XCBNKYQSSA-N -1 0 310.262 -0.249 20 0 DBADRM COc1ccc([C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(=O)[O-])cc1 ZINC001599522014 1017602387 /nfs/dbraw/zinc/60/23/87/1017602387.db2.gz HNENIDSXQZISPD-GXSJLCMTSA-N -1 0 321.289 -0.465 20 0 DBADRM COc1ccc(CCC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cn1 ZINC001599552591 1017602639 /nfs/dbraw/zinc/60/26/39/1017602639.db2.gz OYNOBYICMLEDQL-LLVKDONJSA-N -1 0 321.333 -0.223 20 0 DBADRM COc1ccc(CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])nc1 ZINC001599567257 1017602934 /nfs/dbraw/zinc/60/29/34/1017602934.db2.gz OAFFDONPFGMKCC-IUCAKERBSA-N -1 0 324.337 -0.133 20 0 DBADRM COc1ccc(CCC(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])cn1 ZINC001599552592 1017603121 /nfs/dbraw/zinc/60/31/21/1017603121.db2.gz OYNOBYICMLEDQL-NSHDSACASA-N -1 0 321.333 -0.223 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)cn1 ZINC001599587999 1017603811 /nfs/dbraw/zinc/60/38/11/1017603811.db2.gz HOBDSYYRTYJPMB-AWEZNQCLSA-N -1 0 323.305 -0.269 20 0 DBADRM COc1ccc(CNC(=O)CN2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001599565060 1017603894 /nfs/dbraw/zinc/60/38/94/1017603894.db2.gz DAJNLAISLBFUMW-DGCLKSJQSA-N -1 0 308.334 -0.169 20 0 DBADRM COc1ccc(COCCC(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001599574757 1017604019 /nfs/dbraw/zinc/60/40/19/1017604019.db2.gz MJYIMJRGMVGTLT-UHFFFAOYSA-N -1 0 324.333 -0.081 20 0 DBADRM CS(=O)(=O)CCCCN1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001599750114 1017621108 /nfs/dbraw/zinc/62/11/08/1017621108.db2.gz JGWCDHOABFAAOV-JTQLQIEISA-N -1 0 306.384 -0.524 20 0 DBADRM COc1cccc([C@H](O)C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC001599661245 1017604901 /nfs/dbraw/zinc/60/49/01/1017604901.db2.gz ZZLTZHZJQTXSSF-YPMHNXCESA-N -1 0 322.317 -0.470 20 0 DBADRM COc1ccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])c(C)n1 ZINC001599588087 1017604939 /nfs/dbraw/zinc/60/49/39/1017604939.db2.gz OLPAMNIYDXKILZ-QMMMGPOBSA-N -1 0 311.294 -0.711 20 0 DBADRM COc1ccc(NC(=O)C(=O)NC/C=C/CO)c(C(=O)[O-])c1 ZINC001599588013 1017605002 /nfs/dbraw/zinc/60/50/02/1017605002.db2.gz NZKZTUCHZBKWPP-NSCUHMNNSA-N -1 0 308.290 -0.003 20 0 DBADRM COc1cccc([C@@H](C(=O)[O-])N2CCN(CC(N)=O)C(=O)C2)c1 ZINC001599650432 1017605569 /nfs/dbraw/zinc/60/55/69/1017605569.db2.gz MOZPGJVJENQWSU-AWEZNQCLSA-N -1 0 321.333 -0.550 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H]2CNC(=O)C2)c(C(=O)[O-])c1 ZINC001599614512 1017605591 /nfs/dbraw/zinc/60/55/91/1017605591.db2.gz QSGZDXUQULMRMY-ZETCQYMHSA-N -1 0 314.319 -0.440 20 0 DBADRM COc1cccc(C(=O)CNC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC001599641036 1017606146 /nfs/dbraw/zinc/60/61/46/1017606146.db2.gz QGEFRHYMCVALEX-UHFFFAOYSA-N -1 0 318.289 -0.016 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001599599812 1017606370 /nfs/dbraw/zinc/60/63/70/1017606370.db2.gz QZDFNGSXVVUMOG-UHFFFAOYSA-N -1 0 303.292 -0.779 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](CCF)C(=O)[O-])C1 ZINC001599754988 1017623454 /nfs/dbraw/zinc/62/34/54/1017623454.db2.gz AXMCOIIANBSQEF-IUCAKERBSA-N -1 0 310.347 -0.413 20 0 DBADRM COc1cccc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])c1F ZINC001599684248 1017607821 /nfs/dbraw/zinc/60/78/21/1017607821.db2.gz JDCAZWPFWCEWLR-NSHDSACASA-N -1 0 307.299 -0.052 20 0 DBADRM COc1cccn2c(=O)n(CCc3cn(CC(=O)[O-])nn3)nc12 ZINC001599719077 1017609119 /nfs/dbraw/zinc/60/91/19/1017609119.db2.gz DOZIFBPDAGHMMZ-UHFFFAOYSA-N -1 0 318.293 -0.577 20 0 DBADRM COc1ccccc1[C@H](N)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001599700628 1017609279 /nfs/dbraw/zinc/60/92/79/1017609279.db2.gz XIAIFXFBHBPKDW-LBPRGKRZSA-N -1 0 319.321 -0.199 20 0 DBADRM COc1ccccc1[C@@H](O)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001599702432 1017609357 /nfs/dbraw/zinc/60/93/57/1017609357.db2.gz XGLGMPDUVGDRHF-ZYHUDNBSSA-N -1 0 320.305 -0.410 20 0 DBADRM COc1cc[nH]c(=NNS(=O)(=O)CC(C)(C)C(=O)[O-])n1 ZINC001599722319 1017610346 /nfs/dbraw/zinc/61/03/46/1017610346.db2.gz FKMYZKYDPKHJKD-UHFFFAOYSA-N -1 0 304.328 -0.158 20 0 DBADRM COc1cncc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001599726077 1017610874 /nfs/dbraw/zinc/61/08/74/1017610874.db2.gz WXKUUZHFEKBJDH-IUCAKERBSA-N -1 0 320.305 -0.854 20 0 DBADRM COc1cncc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)n1 ZINC001599726947 1017611394 /nfs/dbraw/zinc/61/13/94/1017611394.db2.gz BQBVBLQENANAPU-LBPRGKRZSA-N -1 0 312.257 -0.551 20 0 DBADRM COc1nc(C)ccc1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001599729303 1017611523 /nfs/dbraw/zinc/61/15/23/1017611523.db2.gz CTWMSJTUYLUXFV-JTQLQIEISA-N -1 0 307.306 -0.234 20 0 DBADRM COc1cncc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001599727050 1017611609 /nfs/dbraw/zinc/61/16/09/1017611609.db2.gz ZPNXRVVQZWTZGR-RKDXNWHRSA-N -1 0 322.321 -0.606 20 0 DBADRM COc1ccnc(CNS(=O)(=O)N(C)CCC(=O)[O-])c1F ZINC001599720866 1017611976 /nfs/dbraw/zinc/61/19/76/1017611976.db2.gz QHLPVUATXBFQFP-UHFFFAOYSA-N -1 0 321.330 -0.030 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)nc1 ZINC001599724318 1017612129 /nfs/dbraw/zinc/61/21/29/1017612129.db2.gz GGGMGLILBNQOML-QMMMGPOBSA-N -1 0 308.294 -0.253 20 0 DBADRM COc1nnc(CN(CCN2CCOCC2)CC(=O)[O-])s1 ZINC001599738356 1017613098 /nfs/dbraw/zinc/61/30/98/1017613098.db2.gz NFESDCRUOJMFNR-UHFFFAOYSA-N -1 0 316.383 -0.235 20 0 DBADRM COc1nnc(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])s1 ZINC001599738141 1017613250 /nfs/dbraw/zinc/61/32/50/1017613250.db2.gz INAGKLKSFMATQN-ZETCQYMHSA-N -1 0 321.380 -0.380 20 0 DBADRM COc1nccc(NC(=O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)n1 ZINC001599735950 1017613315 /nfs/dbraw/zinc/61/33/15/1017613315.db2.gz PZVYKTVCLMBCHA-CYBMUJFWSA-N -1 0 324.293 -0.826 20 0 DBADRM COc1ncnc(N(C)C)c1NC(=O)NC[C@H](O)CC(=O)[O-] ZINC001599738267 1017613501 /nfs/dbraw/zinc/61/35/01/1017613501.db2.gz BDNUWYDVAHYYGA-SSDOTTSWSA-N -1 0 313.314 -0.492 20 0 DBADRM COc1nccc(NC(=O)NCCC(=O)NCCC(=O)[O-])n1 ZINC001599735363 1017613761 /nfs/dbraw/zinc/61/37/61/1017613761.db2.gz DTEVADCTZUVZML-UHFFFAOYSA-N -1 0 311.298 -0.412 20 0 DBADRM COc1ncnc(N(C)C)c1NC(=O)NCCOCC(=O)[O-] ZINC001599738329 1017614099 /nfs/dbraw/zinc/61/40/99/1017614099.db2.gz FJAANZSCXANEFR-UHFFFAOYSA-N -1 0 313.314 -0.226 20 0 DBADRM COc1cccnc1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599731838 1017614231 /nfs/dbraw/zinc/61/42/31/1017614231.db2.gz ILDRSCRKPHFIBO-VHSXEESVSA-N -1 0 319.317 -0.249 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001599739966 1017614915 /nfs/dbraw/zinc/61/49/15/1017614915.db2.gz UVTDTYRNCKXYFZ-ZDUSSCGKSA-N -1 0 310.310 -0.310 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001599739528 1017615269 /nfs/dbraw/zinc/61/52/69/1017615269.db2.gz PHJSSZRURJCUIB-QMMMGPOBSA-N -1 0 308.294 -0.111 20 0 DBADRM COc1nn(C)cc1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001599738755 1017615550 /nfs/dbraw/zinc/61/55/50/1017615550.db2.gz GFUWVLOPYFFDNA-RKDXNWHRSA-N -1 0 324.337 -0.662 20 0 DBADRM CS(=O)(=O)C1(C(=O)Nc2cnn(CC(=O)[O-])c2)CCC1 ZINC001599744887 1017616024 /nfs/dbraw/zinc/61/60/24/1017616024.db2.gz KVPJEKSFGMJIJK-UHFFFAOYSA-N -1 0 301.324 -0.127 20 0 DBADRM C[S@@](=N)(=O)N1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001599743123 1017616448 /nfs/dbraw/zinc/61/64/48/1017616448.db2.gz PXSXWVVSFUKEIW-NRFANRHFSA-N -1 0 313.339 -0.476 20 0 DBADRM COc1ncnc(OC)c1C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001599739390 1017616484 /nfs/dbraw/zinc/61/64/84/1017616484.db2.gz WTPFSTJSLQOOFZ-UHFFFAOYSA-N -1 0 310.310 -0.664 20 0 DBADRM COc1nn(C)cc1CNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001599739634 1017616497 /nfs/dbraw/zinc/61/64/97/1017616497.db2.gz NTRSGFNRNAFHFN-UHFFFAOYSA-N -1 0 303.340 -0.145 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001599746585 1017617556 /nfs/dbraw/zinc/61/75/56/1017617556.db2.gz JPZMVAQRGIPLDX-AEJSXWLSSA-N -1 0 305.352 -0.346 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(CN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC001599748896 1017617599 /nfs/dbraw/zinc/61/75/99/1017617599.db2.gz LUHKATRLHZGXHU-VHSXEESVSA-N -1 0 304.368 -0.757 20 0 DBADRM CS(=O)(=O)CC1(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])COC1 ZINC001599748157 1017617802 /nfs/dbraw/zinc/61/78/02/1017617802.db2.gz IGXADVBZGDQNLH-VHSXEESVSA-N -1 0 319.379 -0.193 20 0 DBADRM CS(=O)(=O)CC(=O)NC[C@H](Cc1ccncc1)C(=O)[O-] ZINC001599747158 1017618110 /nfs/dbraw/zinc/61/81/10/1017618110.db2.gz HRDSTEHKMMLJPI-JTQLQIEISA-N -1 0 300.336 -0.514 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001599748895 1017618185 /nfs/dbraw/zinc/61/81/85/1017618185.db2.gz LUHKATRLHZGXHU-UWVGGRQHSA-N -1 0 304.368 -0.757 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])on2)CCO1 ZINC001599749500 1017618366 /nfs/dbraw/zinc/61/83/66/1017618366.db2.gz SADSHORWCDAGST-ZETCQYMHSA-N -1 0 318.307 -0.742 20 0 DBADRM CS(=O)(=O)CC(=O)OCc1noc(CCCC(=O)[O-])n1 ZINC001599747608 1017618425 /nfs/dbraw/zinc/61/84/25/1017618425.db2.gz DDNXCWVPXPLCAX-UHFFFAOYSA-N -1 0 306.296 -0.435 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(c2ncncc2C(=O)[O-])CCO1 ZINC001599749415 1017618840 /nfs/dbraw/zinc/61/88/40/1017618840.db2.gz QCJGLZSWLZKWPE-QMMMGPOBSA-N -1 0 301.324 -0.575 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)NCCOCC(=O)[O-])C1 ZINC001599749406 1017618895 /nfs/dbraw/zinc/61/88/95/1017618895.db2.gz QAJMTLBLINUMNS-VIFPVBQESA-N -1 0 308.356 -0.836 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001599750773 1017619922 /nfs/dbraw/zinc/61/99/22/1017619922.db2.gz IMRQBWBNUPCTLR-ZCFIWIBFSA-N -1 0 323.339 -0.551 20 0 DBADRM CS(=O)(=O)CCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001599751745 1017620211 /nfs/dbraw/zinc/62/02/11/1017620211.db2.gz XKJYRHKNEIKCOY-VHSXEESVSA-N -1 0 304.368 -0.217 20 0 DBADRM CS(=O)(=O)CCCN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599750991 1017620281 /nfs/dbraw/zinc/62/02/81/1017620281.db2.gz UFNXHYLQQMDYPT-VIFPVBQESA-N -1 0 302.356 -0.342 20 0 DBADRM CS(=O)(=O)CCCCNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001599750222 1017621034 /nfs/dbraw/zinc/62/10/34/1017621034.db2.gz QDAOFKINGVZHPB-UHFFFAOYSA-N -1 0 313.397 -0.262 20 0 DBADRM CS(=O)(=O)C[C@@H](C(=O)N[C@H](CO)C(=O)[O-])c1ccccc1 ZINC001599749756 1017621194 /nfs/dbraw/zinc/62/11/94/1017621194.db2.gz WQFOGUXPFKOMFF-GHMZBOCLSA-N -1 0 315.347 -0.624 20 0 DBADRM CS(=O)(=O)CC(=O)OCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001599749947 1017621209 /nfs/dbraw/zinc/62/12/09/1017621209.db2.gz YRDPWAHTYNWIDF-UHFFFAOYSA-N -1 0 315.303 -0.089 20 0 DBADRM CS(=O)(=O)Cc1nc(C(=O)N2CC[C@@H](C(=O)[O-])C2)co1 ZINC001599753210 1017622105 /nfs/dbraw/zinc/62/21/05/1017622105.db2.gz FQSDEQKMDMJSAM-SSDOTTSWSA-N -1 0 302.308 -0.234 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)COCC(=O)[O-] ZINC001599755283 1017622525 /nfs/dbraw/zinc/62/25/25/1017622525.db2.gz JGAFVWUVIMWJPF-VIFPVBQESA-N -1 0 308.356 -0.982 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNCc1cc(C(=O)[O-])no1 ZINC001599756002 1017623383 /nfs/dbraw/zinc/62/33/83/1017623383.db2.gz VFXMYHXYORLQLV-MRVPVSSYSA-N -1 0 303.340 -0.114 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N2CCCCC[C@@H]2C(=O)[O-])C1 ZINC001599754324 1017623505 /nfs/dbraw/zinc/62/35/05/1017623505.db2.gz ZSKWQWOGHUHYFE-SNVBAGLBSA-N -1 0 304.368 -0.266 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599758100 1017624177 /nfs/dbraw/zinc/62/41/77/1017624177.db2.gz JCSXZBNPMHXUIK-RGOKHQFPSA-N -1 0 304.368 -0.459 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC001599757165 1017624449 /nfs/dbraw/zinc/62/44/49/1017624449.db2.gz CWXRMKZRDNAWFJ-VIFPVBQESA-N -1 0 314.367 -0.312 20 0 DBADRM CS(=O)(=O)NCCC(=O)O[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001599758969 1017624730 /nfs/dbraw/zinc/62/47/30/1017624730.db2.gz CGIVRSOGQQJSFW-KYXWUPHJSA-N -1 0 305.352 -0.032 20 0 DBADRM CS(=O)(=O)NCC1CCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001599759401 1017624844 /nfs/dbraw/zinc/62/48/44/1017624844.db2.gz SDSAABYOMDGUCI-PHIMTYICSA-N -1 0 318.395 -0.115 20 0 DBADRM CS(=O)(=O)NCCC(=O)O[C@@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001599758972 1017625353 /nfs/dbraw/zinc/62/53/53/1017625353.db2.gz CGIVRSOGQQJSFW-ZYUZMQFOSA-N -1 0 305.352 -0.032 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001599757973 1017625285 /nfs/dbraw/zinc/62/52/85/1017625285.db2.gz NUQXRADDFYGMNW-MMWGEVLESA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(c2nccnc2C(=O)[O-])C1 ZINC001599759027 1017625490 /nfs/dbraw/zinc/62/54/90/1017625490.db2.gz FFJDSZUJKPIRJW-VIFPVBQESA-N -1 0 314.367 -0.060 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001599757498 1017625523 /nfs/dbraw/zinc/62/55/23/1017625523.db2.gz JDEGLPLKYOPNTA-UHFFFAOYSA-N -1 0 315.351 -0.133 20 0 DBADRM CS(=O)(=O)NCCC(=O)O[C@@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001599758971 1017625685 /nfs/dbraw/zinc/62/56/85/1017625685.db2.gz CGIVRSOGQQJSFW-UTINFBMNSA-N -1 0 305.352 -0.032 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)N2CC[C@@H]2C(=O)[O-])o1 ZINC001599761110 1017626723 /nfs/dbraw/zinc/62/67/23/1017626723.db2.gz IXSQUTBSIKWUDN-MRVPVSSYSA-N -1 0 302.308 -0.372 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001599761727 1017627129 /nfs/dbraw/zinc/62/71/29/1017627129.db2.gz ZJOICMBTLFGVJP-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM CS(=O)(=O)NCCNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001599760040 1017627221 /nfs/dbraw/zinc/62/72/21/1017627221.db2.gz BKFUZGPQLUAUHC-UHFFFAOYSA-N -1 0 300.336 -0.407 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)[O-] ZINC001599762895 1017627305 /nfs/dbraw/zinc/62/73/05/1017627305.db2.gz LFNLEPRVMYVAIM-JJKYCLHCSA-N -1 0 317.363 -0.442 20 0 DBADRM CS(=O)(=O)Nc1cccc(CC(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC001599760024 1017627316 /nfs/dbraw/zinc/62/73/16/1017627316.db2.gz IWQAVEKLQHNZIH-JTQLQIEISA-N -1 0 316.335 -0.838 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C1(O)CCCCC1)C(=O)[O-] ZINC001599763005 1017627386 /nfs/dbraw/zinc/62/73/86/1017627386.db2.gz RNVTXCKMCQFDNT-JOYOIKCWSA-N -1 0 319.379 -0.314 20 0 DBADRM CS(=O)(=O)NCCNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599761250 1017627515 /nfs/dbraw/zinc/62/75/15/1017627515.db2.gz PLXSAPMACHNQIC-UHFFFAOYSA-N -1 0 300.336 -0.407 20 0 DBADRM CS(=O)(=O)NC[C@H]1COCCN1CC1(CC(=O)[O-])CC1 ZINC001599759584 1017627882 /nfs/dbraw/zinc/62/78/82/1017627882.db2.gz ZUZYTMUJQPBWBO-JTQLQIEISA-N -1 0 306.384 -0.509 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])o1 ZINC001599767981 1017628587 /nfs/dbraw/zinc/62/85/87/1017628587.db2.gz CFUJXMFRCXTFQN-IMTBSYHQSA-N -1 0 303.292 -0.345 20 0 DBADRM CS(=O)(=O)c1nccc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])n1 ZINC001599775027 1017628641 /nfs/dbraw/zinc/62/86/41/1017628641.db2.gz FYLCJUPQFGFGPW-VIFPVBQESA-N -1 0 313.335 -0.137 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)NC[C@@H](O)CC(=O)[O-])ccc1F ZINC001599764061 1017628693 /nfs/dbraw/zinc/62/86/93/1017628693.db2.gz KLJWGBYKPTZJTH-QMMMGPOBSA-N -1 0 319.310 -0.205 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])s1 ZINC001599766916 1017629440 /nfs/dbraw/zinc/62/94/40/1017629440.db2.gz CZCCUQWMVMXIDR-RQJHMYQMSA-N -1 0 319.360 -0.188 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)co1 ZINC001599764504 1017629487 /nfs/dbraw/zinc/62/94/87/1017629487.db2.gz XGHKKFVVAZHHRM-CBAPKCEASA-N -1 0 317.319 -0.409 20 0 DBADRM CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CO)C(=O)[O-])n1 ZINC001599768941 1017629498 /nfs/dbraw/zinc/62/94/98/1017629498.db2.gz KLBCQLTXUVRTFR-LURJTMIESA-N -1 0 322.726 -0.686 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)NC2(C(=O)[O-])CC2)nn1 ZINC001599771189 1017629674 /nfs/dbraw/zinc/62/96/74/1017629674.db2.gz YIEPHSBJEZWRSU-UHFFFAOYSA-N -1 0 300.296 -0.381 20 0 DBADRM C[S@](=O)C1(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1 ZINC001599774979 1017629776 /nfs/dbraw/zinc/62/97/76/1017629776.db2.gz FMWSSCDHIZNERX-BTKVJGODSA-N -1 0 316.379 -0.663 20 0 DBADRM CS(=O)(=O)c1cccc(Cl)c1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001599772369 1017629816 /nfs/dbraw/zinc/62/98/16/1017629816.db2.gz QBNOHAFVZITDNP-ZETCQYMHSA-N -1 0 321.738 -0.081 20 0 DBADRM C[S@@](=O)C1(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CCC1 ZINC001599775165 1017631200 /nfs/dbraw/zinc/63/12/00/1017631200.db2.gz JASZCGYOGZTTSC-JLTPVHFHSA-N -1 0 316.379 -0.663 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001599777062 1017631667 /nfs/dbraw/zinc/63/16/67/1017631667.db2.gz OCYMHBBFYCUBKH-IBGZPJMESA-N -1 0 304.349 -0.121 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)c1ccoc1CC(=O)[O-] ZINC001599778777 1017632321 /nfs/dbraw/zinc/63/23/21/1017632321.db2.gz BDGWOZHNMKFQPP-UHFFFAOYSA-N -1 0 302.308 -0.109 20 0 DBADRM CSc1ncc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c(=O)[nH]1 ZINC001599827311 1017633801 /nfs/dbraw/zinc/63/38/01/1017633801.db2.gz DFXRMOSOUZWINT-NKWVEPMBSA-N -1 0 313.335 -0.188 20 0 DBADRM CSCC[C@H](OC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC001599798024 1017635032 /nfs/dbraw/zinc/63/50/32/1017635032.db2.gz WAPYNUOPKBUKAI-QMMMGPOBSA-N -1 0 316.335 -0.553 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001599836829 1017636258 /nfs/dbraw/zinc/63/62/58/1017636258.db2.gz VZBBEHJLVARLOC-WPRPVWTQSA-N -1 0 321.337 -0.240 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1ncccc1O ZINC001599836259 1017636539 /nfs/dbraw/zinc/63/65/39/1017636539.db2.gz FLLWGTQLSAOSSZ-QMMMGPOBSA-N -1 0 317.305 -0.072 20 0 DBADRM C[C@@H](O)C1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1 ZINC001599842220 1017636701 /nfs/dbraw/zinc/63/67/01/1017636701.db2.gz YZZJQTCTDAPRNI-PWSUYJOCSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001599836362 1017636775 /nfs/dbraw/zinc/63/67/75/1017636775.db2.gz HGJYZFDGSDVIEQ-ZETCQYMHSA-N -1 0 318.293 -0.677 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)CC1(O)CCC1 ZINC001599836950 1017636937 /nfs/dbraw/zinc/63/69/37/1017636937.db2.gz QSJVOFSXIAAQTD-VIFPVBQESA-N -1 0 308.338 -0.182 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)Cn1cncn1 ZINC001599836225 1017637090 /nfs/dbraw/zinc/63/70/90/1017637090.db2.gz DPSHEQQTUKGDST-QMMMGPOBSA-N -1 0 305.298 -0.617 20 0 DBADRM C[C@@H](O)C1CCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001599842177 1017637399 /nfs/dbraw/zinc/63/73/99/1017637399.db2.gz UBBFFFLGJLGDGK-JLLWLGSASA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H](O)CCNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001599841936 1017637493 /nfs/dbraw/zinc/63/74/93/1017637493.db2.gz LQRIWIIXUPOFQR-MRVPVSSYSA-N -1 0 312.326 -0.472 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cccnc2)C[C@@H](C(=O)[O-])O1 ZINC001599847795 1017639177 /nfs/dbraw/zinc/63/91/77/1017639177.db2.gz FFJQBOZSPLZLPX-PWSUYJOCSA-N -1 0 321.333 -0.260 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@]1(C)Oc2ccccc2NC1=O)C(=O)[O-] ZINC001599843444 1017639184 /nfs/dbraw/zinc/63/91/84/1017639184.db2.gz FPIFANBGKVLROK-LJXOEOAUSA-N -1 0 308.290 -0.274 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC001599846715 1017639217 /nfs/dbraw/zinc/63/92/17/1017639217.db2.gz XBOBMTWRWVRIQD-VGMNWLOBSA-N -1 0 319.335 -0.962 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccc(N2CCOCC2)nc1)C(=O)[O-] ZINC001599844831 1017639258 /nfs/dbraw/zinc/63/92/58/1017639258.db2.gz FBJWQIWXCJCBGI-SKDRFNHKSA-N -1 0 309.322 -0.518 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCCO2)C[C@@H](C(=O)[O-])O1 ZINC001599847849 1017639366 /nfs/dbraw/zinc/63/93/66/1017639366.db2.gz IWXITPCMAZTVBU-MXWKQRLJSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@@H](O)[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CCNC(N)=O ZINC001599844161 1017639427 /nfs/dbraw/zinc/63/94/27/1017639427.db2.gz QBEPWKAVZDUWSQ-MFKMUULPSA-N -1 0 323.349 -0.092 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1N)C(=O)[O-] ZINC001599844830 1017639586 /nfs/dbraw/zinc/63/95/86/1017639586.db2.gz DUIDUVBPKJAGIX-LDWIPMOCSA-N -1 0 316.335 -0.764 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC001599844613 1017639613 /nfs/dbraw/zinc/63/96/13/1017639613.db2.gz QXSFDDIHRCPVRH-UCROKIRRSA-N -1 0 312.244 -0.606 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccc(CS(N)(=O)=O)cc1)C(=O)[O-] ZINC001599845133 1017639634 /nfs/dbraw/zinc/63/96/34/1017639634.db2.gz JZXQYQGKGJBZBH-XCBNKYQSSA-N -1 0 316.335 -0.961 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](C)(CO)C2)C[C@H]1C(=O)[O-] ZINC001599850260 1017640915 /nfs/dbraw/zinc/64/09/15/1017640915.db2.gz YWEXIENBIXVPAE-HFAKWTLXSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)C[C@@H](C(=O)[O-])O1 ZINC001599849583 1017641111 /nfs/dbraw/zinc/64/11/11/1017641111.db2.gz PEBONTUOCBCOIA-HXFLIBJXSA-N -1 0 318.276 -0.590 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CF)C2)C[C@@H](C(=O)[O-])O1 ZINC001599849480 1017641244 /nfs/dbraw/zinc/64/12/44/1017641244.db2.gz MOZNHBOVEZHLQU-BBBLOLIVSA-N -1 0 302.302 -0.495 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(F)(F)CC2)C[C@@H](C(=O)[O-])O1 ZINC001599849290 1017641481 /nfs/dbraw/zinc/64/14/81/1017641481.db2.gz IOICRQXVADDFNW-BDAKNGLRSA-N -1 0 320.292 -0.055 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2nncn2C)C[C@H]1CC(=O)[O-] ZINC001599848160 1017641846 /nfs/dbraw/zinc/64/18/46/1017641846.db2.gz RMZGPEOHJNTCKZ-NXEZZACHSA-N -1 0 323.353 -0.657 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCc2ccnn2C)C[C@H]1CC(=O)[O-] ZINC001599850105 1017641947 /nfs/dbraw/zinc/64/19/47/1017641947.db2.gz JJFIKOHVELUPRN-GHMZBOCLSA-N -1 0 322.365 -0.352 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)C[C@@H](C(=O)[O-])O1 ZINC001599850390 1017643086 /nfs/dbraw/zinc/64/30/86/1017643086.db2.gz AZLFSGKXVAZFSN-ZIQFBCGOSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@](C)(O)Cn2ccccc2=O)C[C@@H](C(=O)[O-])O1 ZINC001599851686 1017643171 /nfs/dbraw/zinc/64/31/71/1017643171.db2.gz JACFDRBQZUXLFK-ZETOZRRWSA-N -1 0 324.333 -0.700 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599852936 1017643183 /nfs/dbraw/zinc/64/31/83/1017643183.db2.gz OIWPIXFWMLPAEH-HRDYMLBCSA-N -1 0 301.343 -0.230 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@@H](C(=O)[O-])O1 ZINC001599852444 1017643505 /nfs/dbraw/zinc/64/35/05/1017643505.db2.gz GIBCKFPLSJWKPW-KKZNHRDASA-N -1 0 322.321 -0.537 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@]2(C)CCCS2(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC001599852926 1017643745 /nfs/dbraw/zinc/64/37/45/1017643745.db2.gz NZRWSGDKJGKGSF-VDDIYKPWSA-N -1 0 305.352 -0.346 20 0 DBADRM C[C@@H]1CN(C(=O)CCSc2nnnn2C)C[C@@H](C(=O)[O-])O1 ZINC001599853745 1017644210 /nfs/dbraw/zinc/64/42/10/1017644210.db2.gz UNEUNRIYAFUKQR-SFYZADRCSA-N -1 0 315.355 -0.607 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2cccnc2)C[C@@H](C(=O)[O-])O1 ZINC001599850519 1017644482 /nfs/dbraw/zinc/64/44/82/1017644482.db2.gz TUCIPTMIJFYFSB-KOLCDFICSA-N -1 0 307.306 -0.602 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001599857460 1017645225 /nfs/dbraw/zinc/64/52/25/1017645225.db2.gz LCWRETHUAIKMIN-BBBLOLIVSA-N -1 0 320.367 -0.553 20 0 DBADRM C[C@@H]1CN(C(=O)NCCOC[C@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599858382 1017645706 /nfs/dbraw/zinc/64/57/06/1017645706.db2.gz ANGLFBHSPXAHJG-WOPDTQHZSA-N -1 0 316.354 -0.077 20 0 DBADRM C[C@@H]1CN(C(=O)NCc2ccc(C(N)=O)o2)C[C@@H](C(=O)[O-])O1 ZINC001599856629 1017646101 /nfs/dbraw/zinc/64/61/01/1017646101.db2.gz NXWNDYXQXPGAES-XCBNKYQSSA-N -1 0 311.294 -0.238 20 0 DBADRM C[C@@H]1CN(C(=O)NCc2cn(C)c(=O)[nH]c2=O)C[C@H]1CC(=O)[O-] ZINC001599858371 1017646146 /nfs/dbraw/zinc/64/61/46/1017646146.db2.gz HRQZFYDDQRLQJO-RKDXNWHRSA-N -1 0 324.337 -0.262 20 0 DBADRM COC[C@@H](OC)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001498148255 1017646256 /nfs/dbraw/zinc/64/62/56/1017646256.db2.gz YAVOZEIZPHJVPV-SECBINFHSA-N -1 0 312.326 -0.974 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@@H](CO)OC(C)(C)C2)O[C@H]1C(=O)[O-] ZINC001599872119 1017648609 /nfs/dbraw/zinc/64/86/09/1017648609.db2.gz JVNZVDSKCPBPMC-LMLFDSFASA-N -1 0 301.339 -0.137 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001599871945 1017648888 /nfs/dbraw/zinc/64/88/88/1017648888.db2.gz SLSYDQRXXFNFDQ-YTWAJWBKSA-N -1 0 319.379 -0.194 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCC2(S(C)(=O)=O)CCC2)O[C@H]1C(=O)[O-] ZINC001599874833 1017649853 /nfs/dbraw/zinc/64/98/53/1017649853.db2.gz MVCXZKRTSVQUEV-OPRDCNLKSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC2(CCO)CCOCC2)O[C@H]1C(=O)[O-] ZINC001599873735 1017649947 /nfs/dbraw/zinc/64/99/47/1017649947.db2.gz KEVKCNIIYDSLCA-GMTAPVOTSA-N -1 0 301.339 -0.088 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)O[C@H]1C(=O)[O-] ZINC001599873622 1017650346 /nfs/dbraw/zinc/65/03/46/1017650346.db2.gz GSUDSJRTACKMEM-KAMPLNKDSA-N -1 0 312.322 -0.179 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCc2nnnn2CC2CC2)O[C@H]1C(=O)[O-] ZINC001599875754 1017650669 /nfs/dbraw/zinc/65/06/69/1017650669.db2.gz FAOODLJDBGTVKL-BCMRRPTOSA-N -1 0 309.326 -0.423 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN([S@@](C)(=N)=O)CC2)O[C@H]1C(=O)[O-] ZINC001599875132 1017650858 /nfs/dbraw/zinc/65/08/58/1017650858.db2.gz YSZBPKSRHIJONM-RNPGEOCXSA-N -1 0 319.383 -0.400 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@](C)(CO)[C@](C)(CO)C2)O[C@H]1C(=O)[O-] ZINC001599873565 1017650922 /nfs/dbraw/zinc/65/09/22/1017650922.db2.gz BVMHJDQKZXGRFR-XBIAIPMCSA-N -1 0 315.366 -0.296 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)O[C@H]1C(=O)[O-] ZINC001599875585 1017650957 /nfs/dbraw/zinc/65/09/57/1017650957.db2.gz ZGHZZKOXELJBFM-SOYHJAILSA-N -1 0 300.311 -0.986 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCCn2cc(CO)nn2)O[C@H]1C(=O)[O-] ZINC001599875540 1017651062 /nfs/dbraw/zinc/65/10/62/1017651062.db2.gz WGKLHVOAERAEDN-FBIMIBRVSA-N -1 0 312.326 -0.845 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)Cc1cncn1C ZINC001599891420 1017651872 /nfs/dbraw/zinc/65/18/72/1017651872.db2.gz NDPHGKZFIJRSEB-SECBINFHSA-N -1 0 318.337 -0.511 20 0 DBADRM C[C@H](CC(=O)[O-])OC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC001599890595 1017651901 /nfs/dbraw/zinc/65/19/01/1017651901.db2.gz RZVCPTJNBHRISK-SSDOTTSWSA-N -1 0 323.305 -0.404 20 0 DBADRM C[C@@H]1[C@H](NS(=O)(=O)C2(C(=O)[O-])CCC2)CCS1(=O)=O ZINC001599882136 1017652210 /nfs/dbraw/zinc/65/22/10/1017652210.db2.gz OIQXTCKIBYBIOZ-HTQZYQBOSA-N -1 0 311.381 -0.511 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CC(N)=O)CCN1c1ccnc(C(=O)[O-])n1 ZINC001599882117 1017652292 /nfs/dbraw/zinc/65/22/92/1017652292.db2.gz JUJWPUYSVIPYCG-SFYZADRCSA-N -1 0 307.310 -0.866 20 0 DBADRM C[C@@H]1[C@H](O)CCCN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001599883602 1017652581 /nfs/dbraw/zinc/65/25/81/1017652581.db2.gz WOHOVJZWNQFZKR-WXCVZDNMSA-N -1 0 324.377 -0.026 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)CNC(=O)C1CC1 ZINC001599890697 1017652938 /nfs/dbraw/zinc/65/29/38/1017652938.db2.gz CMDNPOBWBJVVRG-MRVPVSSYSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@H](C(=O)NC[C@H](O)CC(=O)[O-])N1Cc2ccccc2C1=O ZINC001599885361 1017653221 /nfs/dbraw/zinc/65/32/21/1017653221.db2.gz DRPPDOBBAKJBMS-MWLCHTKSSA-N -1 0 306.318 -0.017 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)c1c[nH]c(=O)n1C ZINC001599890642 1017653228 /nfs/dbraw/zinc/65/32/28/1017653228.db2.gz ACVJXLLGQUONBL-SSDOTTSWSA-N -1 0 320.309 -0.156 20 0 DBADRM C[C@H](C(=O)NCCOCC(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC001599885669 1017653399 /nfs/dbraw/zinc/65/33/99/1017653399.db2.gz MJEIXMQCTMWZLF-SECBINFHSA-N -1 0 320.301 -0.112 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H]1CCCS1(=O)=O)C(=O)[O-] ZINC001599895685 1017654238 /nfs/dbraw/zinc/65/42/38/1017654238.db2.gz CXPSEFIEVIIMLI-XHNCKOQMSA-N -1 0 320.367 -0.952 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H](CO)c1ccccc1)C(=O)[O-] ZINC001599895983 1017654693 /nfs/dbraw/zinc/65/46/93/1017654693.db2.gz FCINXVMSIUAKPD-NHCYSSNCSA-N -1 0 323.349 -0.003 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1C[C@@H]2COC[C@]2(C)C1)C(=O)[O-] ZINC001599898674 1017656911 /nfs/dbraw/zinc/65/69/11/1017656911.db2.gz YWIVPOZLFOYRET-RZGXBDKHSA-N -1 0 313.354 -0.358 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC([C@@H]2CCOC2)C1)C(=O)[O-] ZINC001599897934 1017657209 /nfs/dbraw/zinc/65/72/09/1017657209.db2.gz QBKHDWDWYVIHKG-LPEHRKFASA-N -1 0 313.354 -0.358 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCN(C2CC2)CC1)C(=O)[O-] ZINC001599897456 1017657222 /nfs/dbraw/zinc/65/72/22/1017657222.db2.gz GTFLVUPTTCPFDC-UWVGGRQHSA-N -1 0 312.370 -0.546 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCO[C@H](CF)C1)C(=O)[O-] ZINC001599896673 1017657232 /nfs/dbraw/zinc/65/72/32/1017657232.db2.gz MHHIYDYKEUEJIN-XHNCKOQMSA-N -1 0 305.306 -0.656 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1N)C(=O)[O-] ZINC001599900294 1017658078 /nfs/dbraw/zinc/65/80/78/1017658078.db2.gz IPZQTDWJSIDBAQ-YUMQZZPRSA-N -1 0 315.351 -0.475 20 0 DBADRM C[C@H](O)Cc1nnc(N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n1C ZINC001599904817 1017658524 /nfs/dbraw/zinc/65/85/24/1017658524.db2.gz GPCMZYPFCGKCGU-PKFCDNJMSA-N -1 0 310.354 -0.334 20 0 DBADRM C[C@H](NC(N)=O)C(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001599901204 1017658819 /nfs/dbraw/zinc/65/88/19/1017658819.db2.gz YUAGXPZBSARDSR-VIFPVBQESA-N -1 0 313.354 -0.348 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cnc2nccn2c1)C(=O)[O-] ZINC001599899057 1017659120 /nfs/dbraw/zinc/65/91/20/1017659120.db2.gz QKQXSOOFYZJOAY-YUMQZZPRSA-N -1 0 305.294 -0.563 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cnn2cccnc12)C(=O)[O-] ZINC001599899184 1017659306 /nfs/dbraw/zinc/65/93/06/1017659306.db2.gz SLHFNEKDUZTCFB-YUMQZZPRSA-N -1 0 305.294 -0.563 20 0 DBADRM C[C@H](O)C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC001599903670 1017659666 /nfs/dbraw/zinc/65/96/66/1017659666.db2.gz ZAWWSMJGXVESMP-ZETCQYMHSA-N -1 0 302.308 -0.631 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2ncc[nH]2)CC[C@H]1C(=O)[O-] ZINC001599909153 1017661627 /nfs/dbraw/zinc/66/16/27/1017661627.db2.gz LWEXVPHXKUMKRN-VHSXEESVSA-N -1 0 308.338 -0.063 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2cccnc2)C[C@@H](C(=O)[O-])O1 ZINC001599908736 1017661698 /nfs/dbraw/zinc/66/16/98/1017661698.db2.gz FFJQBOZSPLZLPX-JQWIXIFHSA-N -1 0 321.333 -0.260 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCc2cnn(C)c2)C[C@]1(C)C(=O)[O-] ZINC001599911410 1017662542 /nfs/dbraw/zinc/66/25/42/1017662542.db2.gz FFJQJUIYCRBAPQ-BONVTDFDSA-N -1 0 322.365 -0.352 20 0 DBADRM C[C@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@@H](C(=O)[O-])O1 ZINC001599915751 1017663078 /nfs/dbraw/zinc/66/30/78/1017663078.db2.gz SCUOSVAOEJFNKC-BQBZGAKWSA-N -1 0 312.244 -0.245 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC[C@H]1C(=O)[O-] ZINC001599912075 1017663323 /nfs/dbraw/zinc/66/33/23/1017663323.db2.gz HSVNTGWUUMJNJY-IVZWLZJFSA-N -1 0 304.368 -0.411 20 0 DBADRM C[C@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@@H](C(=O)[O-])O1 ZINC001599911661 1017664029 /nfs/dbraw/zinc/66/40/29/1017664029.db2.gz DGGMLYXVUPOYDQ-WPRPVWTQSA-N -1 0 305.352 -0.488 20 0 DBADRM C[C@H]1CN(C(=O)NCC[C@@]2(O)CCCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599920244 1017664957 /nfs/dbraw/zinc/66/49/57/1017664957.db2.gz KAKJQPAMZQJYGB-MJVIPROJSA-N -1 0 316.354 -0.199 20 0 DBADRM C[C@H]1CN(C(=O)NC2CN(c3ccncn3)C2)C[C@@H](C(=O)[O-])O1 ZINC001599919385 1017665566 /nfs/dbraw/zinc/66/55/66/1017665566.db2.gz MYDTYGSIMBCCPM-ONGXEEELSA-N -1 0 321.337 -0.451 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)CCS1(=O)=O ZINC001599918428 1017665929 /nfs/dbraw/zinc/66/59/29/1017665929.db2.gz JNCMMGXVRPESTD-QMMMGPOBSA-N -1 0 301.324 -0.773 20 0 DBADRM C[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@]1(C)C(=O)[O-] ZINC001599916736 1017666306 /nfs/dbraw/zinc/66/63/06/1017666306.db2.gz VWRXJVMMRONHMI-XPTSAGLGSA-N -1 0 309.322 -0.504 20 0 DBADRM C[C@H]1CN(C(=O)CCN2CCCS2(=O)=O)C[C@]1(C)C(=O)[O-] ZINC001599917020 1017666382 /nfs/dbraw/zinc/66/63/82/1017666382.db2.gz SVVTYZPCWXFSCR-GWCFXTLKSA-N -1 0 318.395 -0.019 20 0 DBADRM C[C@H]1CN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001599917354 1017666419 /nfs/dbraw/zinc/66/64/19/1017666419.db2.gz OZBRADQEYHXOOH-AEJSXWLSSA-N -1 0 320.367 -0.601 20 0 DBADRM C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001599932702 1017668558 /nfs/dbraw/zinc/66/85/58/1017668558.db2.gz PNHLVJMKFCLKHW-SBMIAAHKSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@H]1CN(c2nnnn2CCOCC2CC2)C[C@@H](C(=O)[O-])O1 ZINC001599933885 1017668958 /nfs/dbraw/zinc/66/89/58/1017668958.db2.gz ZXLMWIXIXFGBKY-ONGXEEELSA-N -1 0 311.342 -0.222 20 0 DBADRM C[C@H]1OCCO[C@H]1C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001599936597 1017669115 /nfs/dbraw/zinc/66/91/15/1017669115.db2.gz XWXROOGXEPDMIG-WCABBAIRSA-N -1 0 303.311 -0.487 20 0 DBADRM C[C@H]1CN(c2nnnn2C[C@H]2CCCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599932760 1017669152 /nfs/dbraw/zinc/66/91/52/1017669152.db2.gz BQBYQOPNQSITJH-AXFHLTTASA-N -1 0 311.342 -0.222 20 0 DBADRM C[C@H]1CN(Cc2nnc3c(=O)n(C)ccn23)C[C@@H](C(=O)[O-])O1 ZINC001599931414 1017669294 /nfs/dbraw/zinc/66/92/94/1017669294.db2.gz MFGAECLIPYMIBR-IUCAKERBSA-N -1 0 307.310 -0.898 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCOC[C@H]1CC(N)=O ZINC001599959579 1017670746 /nfs/dbraw/zinc/67/07/46/1017670746.db2.gz WWAALGXXZQJQQK-SECBINFHSA-N -1 0 309.322 -0.220 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001599941856 1017671157 /nfs/dbraw/zinc/67/11/57/1017671157.db2.gz WWGXOOANJJEDTM-BQBZGAKWSA-N -1 0 313.335 -0.313 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC001599954716 1017671322 /nfs/dbraw/zinc/67/13/22/1017671322.db2.gz STNPQKQCVPZKAH-QMMMGPOBSA-N -1 0 315.351 -0.167 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001599941422 1017671416 /nfs/dbraw/zinc/67/14/16/1017671416.db2.gz PWSRWOKWHHSJGF-UHFFFAOYSA-N -1 0 307.266 -0.191 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1C(=O)N[C@@]2(CCOC2)C1=O ZINC001599959336 1017671713 /nfs/dbraw/zinc/67/17/13/1017671713.db2.gz MDEFSFIRPMSOPN-CQSZACIVSA-N -1 0 321.289 -0.085 20 0 DBADRM Cc1c(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nnn1C ZINC001599979714 1017673334 /nfs/dbraw/zinc/67/33/34/1017673334.db2.gz GETCFLPIJVAAEN-QKMQQOOLSA-N -1 0 321.337 -0.754 20 0 DBADRM Cc1c(C(=O)N2CCOC[C@@H]2C(=O)[O-])nnn1-c1ccn(C)n1 ZINC001599976408 1017673480 /nfs/dbraw/zinc/67/34/80/1017673480.db2.gz HTVNWSXGFIWHIY-SECBINFHSA-N -1 0 320.309 -0.765 20 0 DBADRM Cc1c(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])nnn1C(C)C ZINC001599976468 1017673656 /nfs/dbraw/zinc/67/36/56/1017673656.db2.gz CMBVIDQSMIGAJP-VIFPVBQESA-N -1 0 309.326 -0.417 20 0 DBADRM Cc1n[nH]cc1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001599969217 1017674994 /nfs/dbraw/zinc/67/49/94/1017674994.db2.gz OLBKLOMJZDDFNU-UHFFFAOYSA-N -1 0 301.324 -0.520 20 0 DBADRM Cc1c(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)cnn1C ZINC001599979110 1017675199 /nfs/dbraw/zinc/67/51/99/1017675199.db2.gz FQUDOAQVABBBKJ-UHFFFAOYSA-N -1 0 315.351 -0.510 20 0 DBADRM Cc1c(C(=O)N2CC(C)(C(=O)[O-])C2)nnn1-c1ccn(C)n1 ZINC001599975636 1017675244 /nfs/dbraw/zinc/67/52/44/1017675244.db2.gz RULUCUKKIHZRLU-UHFFFAOYSA-N -1 0 304.310 -0.144 20 0 DBADRM Cc1c(C(=O)[O-])csc1NC(=O)C(=O)NCc1nnn(C)n1 ZINC001600000344 1017676034 /nfs/dbraw/zinc/67/60/34/1017676034.db2.gz FGTFBPIMYSJMEO-UHFFFAOYSA-N -1 0 324.322 -0.467 20 0 DBADRM Cc1c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cnn1C ZINC001599983186 1017676120 /nfs/dbraw/zinc/67/61/20/1017676120.db2.gz DJWHWQTVKBILRQ-YTWAJWBKSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1c(C(=O)[O-])csc1NC(=O)C(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC001600001504 1017676223 /nfs/dbraw/zinc/67/62/23/1017676223.db2.gz XLTVBHWXXRGOEP-OCAPTIKFSA-N -1 0 314.319 -0.743 20 0 DBADRM Cc1c(C(=O)NCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])nnn1C ZINC001599980904 1017676333 /nfs/dbraw/zinc/67/63/33/1017676333.db2.gz ZEVGWVULUKIYDG-DTWKUNHWSA-N -1 0 309.326 -0.968 20 0 DBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCCN(C)CCO ZINC001599999143 1017676695 /nfs/dbraw/zinc/67/66/95/1017676695.db2.gz WCXLSNIJDZGKAX-UHFFFAOYSA-N -1 0 316.379 -0.104 20 0 DBADRM Cc1c(C(=O)NCC(=O)NCC(=O)[O-])[nH]c2c1C(=O)CCC2 ZINC001599981131 1017676827 /nfs/dbraw/zinc/67/68/27/1017676827.db2.gz ZQXZVTRRFUOUBU-UHFFFAOYSA-N -1 0 307.306 -0.227 20 0 DBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@@H](CC[NH3+])C(=O)[O-] ZINC001599999545 1017676881 /nfs/dbraw/zinc/67/68/81/1017676881.db2.gz GNTVQQVEIFJWMD-VIFPVBQESA-N -1 0 316.335 -0.226 20 0 DBADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCO[C@@H](C(N)=O)C1 ZINC001600016413 1017678007 /nfs/dbraw/zinc/67/80/07/1017678007.db2.gz QCOCMRVYGUAWTN-SSDOTTSWSA-N -1 0 302.718 -0.313 20 0 DBADRM Cc1c(CCC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cnn1C ZINC001600012158 1017678881 /nfs/dbraw/zinc/67/88/81/1017678881.db2.gz ZVGXTDHTJDRNGH-LLVKDONJSA-N -1 0 308.338 -0.585 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@H]2CC[C@H](O)CC2)cnn1CC(=O)[O-] ZINC001600029398 1017679788 /nfs/dbraw/zinc/67/97/88/1017679788.db2.gz CJXGJRZIQSFSHE-MGCOHNPYSA-N -1 0 324.337 -0.366 20 0 DBADRM Cc1c(NC(=O)Cc2nc3ncccn3n2)cnn1CC(=O)[O-] ZINC001600033915 1017680117 /nfs/dbraw/zinc/68/01/17/1017680117.db2.gz DIUPOPTZIWPTOG-UHFFFAOYSA-N -1 0 315.293 -0.105 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@H]2CCCOCC2)cnn1CC(=O)[O-] ZINC001600029004 1017680238 /nfs/dbraw/zinc/68/02/38/1017680238.db2.gz WFDYIKKKSOUAHO-JTQLQIEISA-N -1 0 324.337 -0.100 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCC[C@H](C)O)cnn1CC(=O)[O-] ZINC001600028727 1017680472 /nfs/dbraw/zinc/68/04/72/1017680472.db2.gz KUVXWZDKCGVXMF-QMMMGPOBSA-N -1 0 312.326 -0.508 20 0 DBADRM Cc1cc(C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)[nH]n1 ZINC001600078162 1017682376 /nfs/dbraw/zinc/68/23/76/1017682376.db2.gz HBPUOCCSOAQBTP-UHFFFAOYSA-N -1 0 304.310 -0.188 20 0 DBADRM Cc1cc(C(=O)N2CC(O)(C(=O)[O-])C2)n(C2CCOCC2)n1 ZINC001600079891 1017682535 /nfs/dbraw/zinc/68/25/35/1017682535.db2.gz CONBJBJXIZXIHT-UHFFFAOYSA-N -1 0 309.322 -0.185 20 0 DBADRM Cc1cc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)ncn1 ZINC001600092869 1017683543 /nfs/dbraw/zinc/68/35/43/1017683543.db2.gz JJZQDWZYYAJPFS-UHFFFAOYSA-N -1 0 302.294 -0.463 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])ns1 ZINC001600084093 1017683824 /nfs/dbraw/zinc/68/38/24/1017683824.db2.gz XHHPIMJSDSHDGI-MRVPVSSYSA-N -1 0 304.349 -0.225 20 0 DBADRM Cc1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cnn1 ZINC001600093154 1017684231 /nfs/dbraw/zinc/68/42/31/1017684231.db2.gz IROIDBIGFSPPNA-MNOVXSKESA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1cc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)ncc1C(N)=O ZINC001600081421 1017684380 /nfs/dbraw/zinc/68/43/80/1017684380.db2.gz VGJJRYOAGXSDDJ-DTWKUNHWSA-N -1 0 307.306 -0.603 20 0 DBADRM Cc1cc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)c2c(=O)[nH]n(C)c2n1 ZINC001600081395 1017684476 /nfs/dbraw/zinc/68/44/76/1017684476.db2.gz HXLQPKDIQXFOPO-AWEZNQCLSA-N -1 0 320.305 -0.356 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2CCN(C(C)(C)C(N)=O)CC2)n1 ZINC001600125830 1017685210 /nfs/dbraw/zinc/68/52/10/1017685210.db2.gz ANTGKFQMMYVQEI-UHFFFAOYSA-N -1 0 307.354 -0.131 20 0 DBADRM Cc1cc([C@H](NC(=O)Cn2nnc(N)n2)C(=O)[O-])ccc1F ZINC001600148997 1017685466 /nfs/dbraw/zinc/68/54/66/1017685466.db2.gz FSWFGANNXGKAJD-JTQLQIEISA-N -1 0 308.273 -0.355 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)ncn1 ZINC001600097209 1017685585 /nfs/dbraw/zinc/68/55/85/1017685585.db2.gz YQCFEQFPXGUBET-VLEAKVRGSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4C(=O)[O-])C[C@H]32)[nH]n1 ZINC001600098629 1017685686 /nfs/dbraw/zinc/68/56/86/1017685686.db2.gz CXOLQFIJXJVYPN-OMHSBUABSA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H]2CCNC2=O)c1F ZINC001600116102 1017685871 /nfs/dbraw/zinc/68/58/71/1017685871.db2.gz NKJKZIASFXBSNT-QMMMGPOBSA-N -1 0 316.310 -0.001 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@H]1CCCN(CC(N)=O)C1 ZINC001600131117 1017685958 /nfs/dbraw/zinc/68/59/58/1017685958.db2.gz KJZTWNBQBVZOQI-VIFPVBQESA-N -1 0 309.322 -0.034 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)ncn1 ZINC001600097208 1017686086 /nfs/dbraw/zinc/68/60/86/1017686086.db2.gz YQCFEQFPXGUBET-NAKRPEOUSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)NN1CCS(=O)(=O)CC1 ZINC001600133672 1017686148 /nfs/dbraw/zinc/68/61/48/1017686148.db2.gz NSDILSJLBJAWNO-UHFFFAOYSA-N -1 0 302.308 -0.339 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c(=O)n1 ZINC001600178553 1017686992 /nfs/dbraw/zinc/68/69/92/1017686992.db2.gz ZNJJQWKLOZUCHC-PWSUYJOCSA-N -1 0 309.322 -0.703 20 0 DBADRM Cc1cc(C)nc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001600183171 1017687272 /nfs/dbraw/zinc/68/72/72/1017687272.db2.gz URMVJBYIWPPCEH-QWRGUYRKSA-N -1 0 321.333 -0.069 20 0 DBADRM Cc1cc(CC(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n(C)n1 ZINC001600186991 1017687400 /nfs/dbraw/zinc/68/74/00/1017687400.db2.gz DSOXHMCHNZPNGA-MNOVXSKESA-N -1 0 308.338 -0.776 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N[C@@]3(C(=O)[O-])C[C@@H](O)C3)nc2n1 ZINC001600179845 1017687498 /nfs/dbraw/zinc/68/74/98/1017687498.db2.gz PDBUJQQSDIEXKH-KTLJEJPDSA-N -1 0 305.294 -0.551 20 0 DBADRM Cc1cc(CC(=O)N(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])[nH]n1 ZINC001600187654 1017687780 /nfs/dbraw/zinc/68/77/80/1017687780.db2.gz XHYBMIAJSFAJIT-MNOVXSKESA-N -1 0 308.338 -0.444 20 0 DBADRM Cc1cc(C=O)c(O)c(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c1 ZINC001600185533 1017687805 /nfs/dbraw/zinc/68/78/05/1017687805.db2.gz KBJFZGVFFIDGGW-NSHDSACASA-N -1 0 320.301 -0.119 20 0 DBADRM Cc1cc(C2(C(=O)NCCNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)on1 ZINC001600183007 1017687821 /nfs/dbraw/zinc/68/78/21/1017687821.db2.gz SHLXYMZIGKOHCZ-VHSXEESVSA-N -1 0 321.333 -0.032 20 0 DBADRM Cc1cc(C)n(CC(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600179403 1017687836 /nfs/dbraw/zinc/68/78/36/1017687836.db2.gz ZMDWXFXJMWLDCW-QWRGUYRKSA-N -1 0 308.338 -0.547 20 0 DBADRM Cc1cc(N(C)Cc2cn(C)nn2)n2nc(C(=O)[O-])nc2n1 ZINC001600235664 1017690136 /nfs/dbraw/zinc/69/01/36/1017690136.db2.gz IYWCGGHGXTZWGI-UHFFFAOYSA-N -1 0 302.298 -0.104 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)CC(=O)NC(C)C)c(C(=O)[O-])[nH]1 ZINC001600243318 1017691455 /nfs/dbraw/zinc/69/14/55/1017691455.db2.gz MPHSQOUQCZUUHZ-UHFFFAOYSA-N -1 0 324.337 -0.057 20 0 DBADRM Cc1cc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nc(CO)n1 ZINC001600240677 1017691665 /nfs/dbraw/zinc/69/16/65/1017691665.db2.gz VBQUCMVAKGZOJA-GHMZBOCLSA-N -1 0 320.349 -0.353 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(N(C)C)nn1 ZINC001600245000 1017691781 /nfs/dbraw/zinc/69/17/81/1017691781.db2.gz YTBIQEWASHCRAS-SECBINFHSA-N -1 0 321.337 -0.277 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001600285681 1017693586 /nfs/dbraw/zinc/69/35/86/1017693586.db2.gz GCOTUMJTUCBGQJ-ONGXEEELSA-N -1 0 310.306 -0.437 20 0 DBADRM Cc1cc(NC(=O)COC(=O)Cn2cc(C(=O)[O-])nn2)no1 ZINC001600256538 1017693793 /nfs/dbraw/zinc/69/37/93/1017693793.db2.gz TYSQNADMHGZUSO-UHFFFAOYSA-N -1 0 309.238 -0.545 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCc2nnn(C)n2)c(C(=O)[O-])s1 ZINC001600251271 1017693904 /nfs/dbraw/zinc/69/39/04/1017693904.db2.gz XLNWMLWPKAGRHF-UHFFFAOYSA-N -1 0 324.322 -0.467 20 0 DBADRM Cc1cc(NC(=O)CN(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])no1 ZINC001600254664 1017693938 /nfs/dbraw/zinc/69/39/38/1017693938.db2.gz DFMWIOYSBVQURL-ZJUUUORDSA-N -1 0 324.337 -0.310 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001600284285 1017694132 /nfs/dbraw/zinc/69/41/32/1017694132.db2.gz DEPBCVINPHOIJN-SMDDNHRTSA-N -1 0 324.333 -0.311 20 0 DBADRM Cc1cc(NCCNC(=O)N(C)C)n2nc(C(=O)[O-])nc2n1 ZINC001600281339 1017694298 /nfs/dbraw/zinc/69/42/98/1017694298.db2.gz YREOPBCZKBYGLB-UHFFFAOYSA-N -1 0 307.314 -0.186 20 0 DBADRM Cc1cc(=O)[nH]c(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c1 ZINC001600285849 1017694452 /nfs/dbraw/zinc/69/44/52/1017694452.db2.gz FCMPCYPQZVNCQS-UHFFFAOYSA-N -1 0 323.349 -0.045 20 0 DBADRM Cc1cc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cnc1N ZINC001600294960 1017695572 /nfs/dbraw/zinc/69/55/72/1017695572.db2.gz BTMLUYMOJWAVMX-DTWKUNHWSA-N -1 0 315.351 -0.572 20 0 DBADRM Cc1cc(S(=O)(=O)N2CC(CO)(CO)C2)oc1C(=O)[O-] ZINC001600293971 1017696012 /nfs/dbraw/zinc/69/60/12/1017696012.db2.gz YPWUXQUYDDFGII-UHFFFAOYSA-N -1 0 305.308 -0.738 20 0 DBADRM Cc1cc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cnc1N ZINC001600294965 1017696517 /nfs/dbraw/zinc/69/65/17/1017696517.db2.gz BTMLUYMOJWAVMX-RKDXNWHRSA-N -1 0 315.351 -0.572 20 0 DBADRM Cc1ccc(C(=O)N2CC3(C2)NC(=O)NC3=O)cc1C(=O)[O-] ZINC001600332627 1017697412 /nfs/dbraw/zinc/69/74/12/1017697412.db2.gz ULDLVZMEAVWTGM-UHFFFAOYSA-N -1 0 303.274 -0.273 20 0 DBADRM Cc1ccc(C(=O)N[C@](C)(CO)C(=O)[O-])cc1S(N)(=O)=O ZINC001600337863 1017697485 /nfs/dbraw/zinc/69/74/85/1017697485.db2.gz OUDYVYZALHXIPP-GFCCVEGCSA-N -1 0 316.335 -0.792 20 0 DBADRM Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])o1 ZINC001600331144 1017698130 /nfs/dbraw/zinc/69/81/30/1017698130.db2.gz HPWLQAXEOSIPKG-GHMZBOCLSA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1ccc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001600330385 1017698139 /nfs/dbraw/zinc/69/81/39/1017698139.db2.gz JXEXSVGYDSHTED-ZJUUUORDSA-N -1 0 306.322 -0.306 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cccc(=O)[nH]1 ZINC001498255285 1017699337 /nfs/dbraw/zinc/69/93/37/1017699337.db2.gz QTDAKGCGVDGZAV-QMMMGPOBSA-N -1 0 306.326 -0.139 20 0 DBADRM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@@H](CO)C(=O)[O-])C2=O ZINC001600492291 1017699523 /nfs/dbraw/zinc/69/95/23/1017699523.db2.gz DUDRKNJWQUOVKH-KCJUWKMLSA-N -1 0 320.301 -0.459 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c(C(=O)[O-])c1 ZINC001600482037 1017699595 /nfs/dbraw/zinc/69/95/95/1017699595.db2.gz XVXWTIGCFCDGHQ-NXEZZACHSA-N -1 0 301.320 -0.269 20 0 DBADRM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N[C@H](CO)C(=O)[O-])C2=O ZINC001600492282 1017699632 /nfs/dbraw/zinc/69/96/32/1017699632.db2.gz DUDRKNJWQUOVKH-GZMMTYOYSA-N -1 0 320.301 -0.459 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC2(CO)COC2)c(C(=O)[O-])c1 ZINC001600480689 1017699705 /nfs/dbraw/zinc/69/97/05/1017699705.db2.gz BIUKPKQVMUNMJF-UHFFFAOYSA-N -1 0 315.347 -0.020 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NCCOCC(=O)[O-])c(N(C)C)n1 ZINC001600442228 1017699779 /nfs/dbraw/zinc/69/97/79/1017699779.db2.gz OOCJQJGLIMFVDJ-UHFFFAOYSA-N -1 0 324.337 -0.388 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCCNC(=O)C2)c(C(=O)[O-])c1 ZINC001600439485 1017700005 /nfs/dbraw/zinc/70/00/05/1017700005.db2.gz NYGFYDLWYNWKJE-UHFFFAOYSA-N -1 0 319.317 -0.020 20 0 DBADRM Cc1ccc(NCCN(CCO)C(=O)[C@H]2C[C@H]2C(=O)[O-])nn1 ZINC001600460074 1017700106 /nfs/dbraw/zinc/70/01/06/1017700106.db2.gz MFHXUMIVPPQPQS-WDEREUQCSA-N -1 0 308.338 -0.261 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])cc1 ZINC001600438194 1017700268 /nfs/dbraw/zinc/70/02/68/1017700268.db2.gz BKSBRDNIXNZBAN-NSHDSACASA-N -1 0 319.317 -0.313 20 0 DBADRM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@H](CO)C(=O)[O-])C2=O ZINC001600492300 1017700290 /nfs/dbraw/zinc/70/02/90/1017700290.db2.gz DUDRKNJWQUOVKH-LDYMZIIASA-N -1 0 320.301 -0.459 20 0 DBADRM Cc1ccc(N)cc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001600434166 1017700585 /nfs/dbraw/zinc/70/05/85/1017700585.db2.gz ZUYLUWXTZMKXLU-NXEZZACHSA-N -1 0 300.336 -0.214 20 0 DBADRM Cc1ccn(CC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c(=O)c1 ZINC001600595046 1017701391 /nfs/dbraw/zinc/70/13/91/1017701391.db2.gz BBRNPSZZFAIQEC-OAHLLOKOSA-N -1 0 319.317 -0.011 20 0 DBADRM Cc1cccc([C@H](CC(=O)N2CC(O)(C(=O)[O-])C2)NC(N)=O)c1 ZINC001600518162 1017701485 /nfs/dbraw/zinc/70/14/85/1017701485.db2.gz KOGVQNPYFJVRAC-NSHDSACASA-N -1 0 321.333 -0.248 20 0 DBADRM Cc1cccc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)c1C(=O)[O-] ZINC001600548402 1017701596 /nfs/dbraw/zinc/70/15/96/1017701596.db2.gz WPJRNYHYDDFRQH-ZJUUUORDSA-N -1 0 315.347 -0.333 20 0 DBADRM Cc1ccn([C@H](C)CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC001600594959 1017701634 /nfs/dbraw/zinc/70/16/34/1017701634.db2.gz XGRBLJZDRHNUME-MNOVXSKESA-N -1 0 308.338 -0.056 20 0 DBADRM Cc1cccnc1NC(=O)CN1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001600592950 1017701729 /nfs/dbraw/zinc/70/17/29/1017701729.db2.gz NJJAHKRAXCKLFV-JTQLQIEISA-N -1 0 306.322 -0.444 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)N[C@H](CF)C(=O)[O-])c(=O)c1 ZINC001600595150 1017701968 /nfs/dbraw/zinc/70/19/68/1017701968.db2.gz HMCBJLQGLXKBBO-NOZJJQNGSA-N -1 0 300.286 -0.553 20 0 DBADRM Cc1ccccc1C1=NO[C@@H](C(=O)NCC(=O)NCC(=O)[O-])C1 ZINC001600575507 1017702400 /nfs/dbraw/zinc/70/24/00/1017702400.db2.gz KNFHNHFQCNDGHX-GFCCVEGCSA-N -1 0 319.317 -0.195 20 0 DBADRM Cc1cn(CC(=O)N2CCN(C(=O)C3CC3)CC2)nc1C(=O)[O-] ZINC001600612316 1017702710 /nfs/dbraw/zinc/70/27/10/1017702710.db2.gz VCULMVAPTLFNGL-UHFFFAOYSA-N -1 0 320.349 -0.029 20 0 DBADRM Cc1ccn(CC(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)c(=O)c1 ZINC001600595776 1017703051 /nfs/dbraw/zinc/70/30/51/1017703051.db2.gz XAPBQOGANWAMIO-LLVKDONJSA-N -1 0 322.317 -0.224 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)O[C@@H](C)C(=O)C(=O)[O-])c(=O)c1 ZINC001600598901 1017703233 /nfs/dbraw/zinc/70/32/33/1017703233.db2.gz SAVDODNMHSYVCB-LKFCYVNXSA-N -1 0 311.290 -0.507 20 0 DBADRM Cc1ccn(C[C@H](C)C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])n1 ZINC001600597468 1017703345 /nfs/dbraw/zinc/70/33/45/1017703345.db2.gz DSSBVBZQNMJQIS-GXSJLCMTSA-N -1 0 308.338 -0.419 20 0 DBADRM Cc1ccnc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)n1 ZINC001600601772 1017703724 /nfs/dbraw/zinc/70/37/24/1017703724.db2.gz WIQWJIQBJFFWFI-UHFFFAOYSA-N -1 0 311.323 -0.455 20 0 DBADRM Cc1ccnc(CNCCN(CCO)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600600855 1017703956 /nfs/dbraw/zinc/70/39/56/1017703956.db2.gz GHSKHRPVIIXVEK-NEPJUHHUSA-N -1 0 322.365 -0.584 20 0 DBADRM Cc1ccnn1CC(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600606131 1017704000 /nfs/dbraw/zinc/70/40/00/1017704000.db2.gz NCZYYYRQTRHREN-WDEREUQCSA-N -1 0 306.322 -0.761 20 0 DBADRM Cc1ccncc1CN1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600605630 1017704134 /nfs/dbraw/zinc/70/41/34/1017704134.db2.gz XJIMTZHDGAMDCV-STQMWFEESA-N -1 0 319.361 -0.226 20 0 DBADRM Cc1cnc(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)cn1 ZINC001600617161 1017705184 /nfs/dbraw/zinc/70/51/84/1017705184.db2.gz VEXZZCZOWVQIGU-JOYOIKCWSA-N -1 0 313.335 -0.597 20 0 DBADRM Cc1cn(C)nc1NC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001600612656 1017705266 /nfs/dbraw/zinc/70/52/66/1017705266.db2.gz OBVYAQAXUFNDTK-SECBINFHSA-N -1 0 309.326 -0.074 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC001600626445 1017705339 /nfs/dbraw/zinc/70/53/39/1017705339.db2.gz UIGYEYSRZUJWFP-ZETCQYMHSA-N -1 0 301.324 -0.266 20 0 DBADRM Cc1cnc(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)cn1 ZINC001600616634 1017705433 /nfs/dbraw/zinc/70/54/33/1017705433.db2.gz GRAKVRAWYPCZNH-UHFFFAOYSA-N -1 0 316.321 -0.073 20 0 DBADRM Cc1cn(C)nc1NC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001600612662 1017706158 /nfs/dbraw/zinc/70/61/58/1017706158.db2.gz OBVYAQAXUFNDTK-VIFPVBQESA-N -1 0 309.326 -0.074 20 0 DBADRM Cc1cncc(CNC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c1 ZINC001600627291 1017706850 /nfs/dbraw/zinc/70/68/50/1017706850.db2.gz ILHFBBKGXOXCFH-PWSUYJOCSA-N -1 0 321.333 -0.293 20 0 DBADRM Cc1cnn(C)c1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600635981 1017706959 /nfs/dbraw/zinc/70/69/59/1017706959.db2.gz ZHYUUGWVKQFPCY-CJOPTALJSA-N -1 0 320.349 -0.149 20 0 DBADRM Cc1cnccc1CC(=O)NCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600630106 1017707090 /nfs/dbraw/zinc/70/70/90/1017707090.db2.gz NDOCIWZBKAIJMT-NWDGAFQWSA-N -1 0 305.334 -0.114 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600635949 1017707116 /nfs/dbraw/zinc/70/71/16/1017707116.db2.gz YOWAZXLAHLIKDN-VHSXEESVSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1cncc(CN2CC(O)(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001600627913 1017707280 /nfs/dbraw/zinc/70/72/80/1017707280.db2.gz UBMPNSGNFKQUGG-STQMWFEESA-N -1 0 319.361 -0.226 20 0 DBADRM Cc1cncn1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600631566 1017708174 /nfs/dbraw/zinc/70/81/74/1017708174.db2.gz CXUUTWRKNUKCTR-KKOKHZNYSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1conc1CNC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001600644840 1017708689 /nfs/dbraw/zinc/70/86/89/1017708689.db2.gz DSMUIHVUXPRXEZ-SNVBAGLBSA-N -1 0 310.310 -0.142 20 0 DBADRM Cc1conc1C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001600643127 1017709049 /nfs/dbraw/zinc/70/90/49/1017709049.db2.gz DNZAKHRPKOVHDU-MRVPVSSYSA-N -1 0 321.293 -0.904 20 0 DBADRM Cc1conc1CN1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001600644920 1017709063 /nfs/dbraw/zinc/70/90/63/1017709063.db2.gz JLUIYRKNLKRERL-WPRPVWTQSA-N -1 0 308.294 -0.438 20 0 DBADRM Cc1csc(=O)n1CCN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001600645981 1017709250 /nfs/dbraw/zinc/70/92/50/1017709250.db2.gz QRTXHOXYLBTNAC-SNVBAGLBSA-N -1 0 313.379 -0.117 20 0 DBADRM Cc1cnoc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600637091 1017709358 /nfs/dbraw/zinc/70/93/58/1017709358.db2.gz BUUDZIKNHSPJRL-NXEZZACHSA-N -1 0 307.306 -0.012 20 0 DBADRM Cc1cnn(Cc2cc(C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])no2)c1 ZINC001600638824 1017709548 /nfs/dbraw/zinc/70/95/48/1017709548.db2.gz NLHYLGLVROKTDK-SKDRFNHKSA-N -1 0 320.305 -0.112 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001600643733 1017709973 /nfs/dbraw/zinc/70/99/73/1017709973.db2.gz RDEIWRIRAHUZNK-IUCAKERBSA-N -1 0 310.306 -0.022 20 0 DBADRM Cc1nnc(CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])[nH]1 ZINC001600670953 1017710441 /nfs/dbraw/zinc/71/04/41/1017710441.db2.gz CVIQZINEDWGWMZ-VIFPVBQESA-N -1 0 311.342 -0.613 20 0 DBADRM Cc1nnc(CC(=O)NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)[nH]1 ZINC001600670912 1017711404 /nfs/dbraw/zinc/71/14/04/1017711404.db2.gz BZLKVXQJUQBCEV-IUCAKERBSA-N -1 0 321.337 -0.859 20 0 DBADRM Cc1n[nH]c(C)c1[C@@H]1COCCN1CCC(=O)NCC(=O)[O-] ZINC001600668534 1017711455 /nfs/dbraw/zinc/71/14/55/1017711455.db2.gz UWFLKGMGEVPBIY-NSHDSACASA-N -1 0 310.354 -0.009 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CO[C@H]1CCOC1 ZINC001498282666 1017712538 /nfs/dbraw/zinc/71/25/38/1017712538.db2.gz VFZYHBWJNYIDBZ-UWVGGRQHSA-N -1 0 313.358 -0.748 20 0 DBADRM Cc1nc(SCC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])n[nH]1 ZINC001600675250 1017713209 /nfs/dbraw/zinc/71/32/09/1017713209.db2.gz PWAGPFWITAAOAC-VXNVDRBHSA-N -1 0 300.340 -0.358 20 0 DBADRM Cc1nnc(CC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)[nH]1 ZINC001600671709 1017713604 /nfs/dbraw/zinc/71/36/04/1017713604.db2.gz WCOMAOOXQBFJBD-AWEZNQCLSA-N -1 0 323.353 -0.956 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]1 ZINC001600671530 1017714258 /nfs/dbraw/zinc/71/42/58/1017714258.db2.gz MASSPFVPCSSMII-UTINFBMNSA-N -1 0 321.337 -0.860 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H]2CCNC(=O)CC2)c1C(=O)[O-] ZINC001600672942 1017715500 /nfs/dbraw/zinc/71/55/00/1017715500.db2.gz LRMOHMPYMSYCNJ-ZETCQYMHSA-N -1 0 316.339 -0.637 20 0 DBADRM Cc1nc(C(=O)N2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)co1 ZINC001600682525 1017716523 /nfs/dbraw/zinc/71/65/23/1017716523.db2.gz FUXPSIDYZYYFJF-UWVGGRQHSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1nc(-c2ccn(C)n2)sc1CC(=O)N[C@H](CO)C(=O)[O-] ZINC001600680383 1017717357 /nfs/dbraw/zinc/71/73/57/1017717357.db2.gz OVCFRPBEYFYXBW-SECBINFHSA-N -1 0 324.362 -0.044 20 0 DBADRM Cc1nc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n(C)n1 ZINC001600683274 1017717439 /nfs/dbraw/zinc/71/74/39/1017717439.db2.gz ZSKJGIYRVROKDI-AWEZNQCLSA-N -1 0 323.353 -0.875 20 0 DBADRM Cc1nc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)no1 ZINC001600683038 1017717603 /nfs/dbraw/zinc/71/76/03/1017717603.db2.gz VJAGXPFONWSICM-ZDUSSCGKSA-N -1 0 310.310 -0.620 20 0 DBADRM Cc1nc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)co1 ZINC001600682524 1017717635 /nfs/dbraw/zinc/71/76/35/1017717635.db2.gz FUXPSIDYZYYFJF-NXEZZACHSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1nc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])nn1-c1nc[nH]n1 ZINC001600684125 1017717647 /nfs/dbraw/zinc/71/76/47/1017717647.db2.gz SOSUUHZLFGMDMF-VIFPVBQESA-N -1 0 319.325 -0.075 20 0 DBADRM Cc1nc(CCn2nnnc2N2CCO[C@@H](C(=O)[O-])C2)cs1 ZINC001600699744 1017718196 /nfs/dbraw/zinc/71/81/96/1017718196.db2.gz SIEQKSBKZBIHEK-SNVBAGLBSA-N -1 0 324.366 -0.029 20 0 DBADRM Cc1nc(N)nc(C)c1C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001600709672 1017718404 /nfs/dbraw/zinc/71/84/04/1017718404.db2.gz UZNNFCLWNMYGGZ-LLVKDONJSA-N -1 0 308.338 -0.027 20 0 DBADRM Cc1[nH]c(=O)ccc1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001600718279 1017718433 /nfs/dbraw/zinc/71/84/33/1017718433.db2.gz MHGKVULBTAKKGH-UHFFFAOYSA-N -1 0 323.349 -0.045 20 0 DBADRM Cc1nc(N2C[C@H](O)C[C@H](C(=O)[O-])C2)sc1S(N)(=O)=O ZINC001600709333 1017718933 /nfs/dbraw/zinc/71/89/33/1017718933.db2.gz ZZYXFSPEZFUXPL-NKWVEPMBSA-N -1 0 321.380 -0.629 20 0 DBADRM Cc1nc([C@@H]2COCCN2S(=O)(=O)CCCC(=O)[O-])no1 ZINC001600694000 1017719141 /nfs/dbraw/zinc/71/91/41/1017719141.db2.gz BFFUWARTEYFLBP-VIFPVBQESA-N -1 0 319.339 -0.054 20 0 DBADRM Cc1nc(C)c(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])s1 ZINC001600692595 1017719224 /nfs/dbraw/zinc/71/92/24/1017719224.db2.gz LSBSEJBAHOKFNF-ZETCQYMHSA-N -1 0 301.324 -0.350 20 0 DBADRM Cc1nc(N2CCN3[C@H](CNS3(=O)=O)C2)ccc1C(=O)[O-] ZINC001600711114 1017719643 /nfs/dbraw/zinc/71/96/43/1017719643.db2.gz HQWUKCQWLGQIQO-SECBINFHSA-N -1 0 312.351 -0.573 20 0 DBADRM Cc1nn(C)c2nc(C)c(C(=O)N3CC(O)(C(=O)[O-])C3)cc12 ZINC001600724525 1017720401 /nfs/dbraw/zinc/72/04/01/1017720401.db2.gz UGGASHFUWIVMME-UHFFFAOYSA-N -1 0 304.306 -0.143 20 0 DBADRM Cc1nc2n(n1)CCN(S(=O)(=O)CC1(C(=O)[O-])CC1)C2 ZINC001600732469 1017720658 /nfs/dbraw/zinc/72/06/58/1017720658.db2.gz ZTJUAAIFZPHTOC-UHFFFAOYSA-N -1 0 300.340 -0.403 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@H](F)C(=O)[O-] ZINC001600732268 1017720809 /nfs/dbraw/zinc/72/08/09/1017720809.db2.gz RHFVNYVNOJMKEB-VIFPVBQESA-N -1 0 324.316 -0.205 20 0 DBADRM Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](CO)C(=O)[O-] ZINC001600730994 1017721421 /nfs/dbraw/zinc/72/14/21/1017721421.db2.gz BLDXTRCPCUULMH-JTQLQIEISA-N -1 0 307.310 -0.765 20 0 DBADRM Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001600731592 1017721499 /nfs/dbraw/zinc/72/14/99/1017721499.db2.gz XYOYNOGTXBFOOT-SKDRFNHKSA-N -1 0 321.337 -0.376 20 0 DBADRM Cc1ncc(S(=O)(=O)NCc2ncn(C)n2)cc1C(=O)[O-] ZINC001600748051 1017721988 /nfs/dbraw/zinc/72/19/88/1017721988.db2.gz WBVARUPMQAEBHQ-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM Cc1ncc(S(=O)(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)n1C ZINC001600746291 1017722075 /nfs/dbraw/zinc/72/20/75/1017722075.db2.gz RXWPDBOVPFPQEM-ZJUUUORDSA-N -1 0 317.367 -0.256 20 0 DBADRM Cc1ncc(S(=O)(=O)N(C)[C@@H]2COC[C@H]2O)cc1C(=O)[O-] ZINC001600742005 1017722445 /nfs/dbraw/zinc/72/24/45/1017722445.db2.gz PXVXWNXBYUUQJI-GHMZBOCLSA-N -1 0 316.335 -0.532 20 0 DBADRM Cc1nccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600748661 1017722793 /nfs/dbraw/zinc/72/27/93/1017722793.db2.gz DHCHMRPKJFOAJI-YTWAJWBKSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1ncc(CC(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)o1 ZINC001600736439 1017723270 /nfs/dbraw/zinc/72/32/70/1017723270.db2.gz OTWIYSALGCOAJC-RYUDHWBXSA-N -1 0 321.333 -0.083 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001600757098 1017724354 /nfs/dbraw/zinc/72/43/54/1017724354.db2.gz PFJMCPCXKVDJHW-LBPRGKRZSA-N -1 0 322.365 -0.075 20 0 DBADRM Cc1ncoc1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600759219 1017724809 /nfs/dbraw/zinc/72/48/09/1017724809.db2.gz YEVUJPWJQNHUGO-VHSXEESVSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001600771321 1017726058 /nfs/dbraw/zinc/72/60/58/1017726058.db2.gz OKSNBXYUDCRKQJ-NXEZZACHSA-N -1 0 317.367 -0.195 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001600771938 1017726126 /nfs/dbraw/zinc/72/61/26/1017726126.db2.gz ZVXXYTQNKXZDLH-GXSJLCMTSA-N -1 0 324.337 -0.588 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001600768239 1017726376 /nfs/dbraw/zinc/72/63/76/1017726376.db2.gz MGNOVRIIUVONIM-LBPRGKRZSA-N -1 0 323.349 -0.096 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](C(=O)[O-])c1ccn(C)n1 ZINC001600768796 1017726898 /nfs/dbraw/zinc/72/68/98/1017726898.db2.gz ZCGGJNFJQGMUIH-NSHDSACASA-N -1 0 319.321 -0.105 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001600769654 1017726923 /nfs/dbraw/zinc/72/69/23/1017726923.db2.gz FOPHFFCSPZGMBU-GFCCVEGCSA-N -1 0 322.365 -0.229 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001600770944 1017727172 /nfs/dbraw/zinc/72/71/72/1017727172.db2.gz QUJWHIAVKBWMLA-GXFFZTMASA-N -1 0 310.354 -0.115 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001600770641 1017727259 /nfs/dbraw/zinc/72/72/59/1017727259.db2.gz JUXCJKYJFLUEAS-UWVGGRQHSA-N -1 0 317.367 -0.364 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)NCCOCC(=O)[O-] ZINC001600768828 1017727304 /nfs/dbraw/zinc/72/73/04/1017727304.db2.gz AZTQIWNYZHQDSC-JTQLQIEISA-N -1 0 314.342 -0.529 20 0 DBADRM Cc1nn(C)c(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1C ZINC001600772455 1017728146 /nfs/dbraw/zinc/72/81/46/1017728146.db2.gz HNZLORCNGMVMFR-NXEZZACHSA-N -1 0 324.337 -0.731 20 0 DBADRM Cc1nn(CC(=O)N2CC[C@](O)(C(=O)[O-])C2)c2ncccc12 ZINC001600778602 1017728156 /nfs/dbraw/zinc/72/81/56/1017728156.db2.gz KNZYPTWYSGUETL-CQSZACIVSA-N -1 0 304.306 -0.212 20 0 DBADRM Cc1nn(C)c2ncc(NC(=O)NCC(=O)NCC(=O)[O-])cc12 ZINC001600774998 1017728222 /nfs/dbraw/zinc/72/82/22/1017728222.db2.gz BQKONLBMTDGEBT-UHFFFAOYSA-N -1 0 320.309 -0.401 20 0 DBADRM Cc1nn(C)cc1CCC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001600775812 1017728293 /nfs/dbraw/zinc/72/82/93/1017728293.db2.gz JCCQJEZXYAKNOB-LLVKDONJSA-N -1 0 308.338 -0.585 20 0 DBADRM Cc1nn(C)cc1CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001600775853 1017728589 /nfs/dbraw/zinc/72/85/89/1017728589.db2.gz KFKRFLJLYVPHDI-LLVKDONJSA-N -1 0 308.338 -0.537 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])C1 ZINC001600778343 1017728946 /nfs/dbraw/zinc/72/89/46/1017728946.db2.gz RDJXKBQAEDNMNI-JFUSQASVSA-N -1 0 322.321 -0.732 20 0 DBADRM Cc1nn(C)cc1CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600778208 1017729379 /nfs/dbraw/zinc/72/93/79/1017729379.db2.gz AGHJCLJJMITHAH-VXGBXAGGSA-N -1 0 322.365 -0.888 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@H]1NC(=O)O[C@@H]1C ZINC001600780856 1017730244 /nfs/dbraw/zinc/73/02/44/1017730244.db2.gz JFDQHRBEZNMPOM-KCJUWKMLSA-N -1 0 310.310 -0.302 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)[nH]1 ZINC001600791960 1017730286 /nfs/dbraw/zinc/73/02/86/1017730286.db2.gz IHSYLAOSLXFDAB-VXNVDRBHSA-N -1 0 309.326 -0.386 20 0 DBADRM Cc1nn(CC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c(=O)o1 ZINC001600780031 1017730592 /nfs/dbraw/zinc/73/05/92/1017730592.db2.gz BXAJUUACVQEDSX-SNVBAGLBSA-N -1 0 306.278 -0.648 20 0 DBADRM Cc1nn(CCS(=O)(=O)N[C@H]2CC=C(C(=O)[O-])C2)c(=O)o1 ZINC001600787561 1017730656 /nfs/dbraw/zinc/73/06/56/1017730656.db2.gz IQEMRLDFXQBZAM-VIFPVBQESA-N -1 0 317.323 -0.762 20 0 DBADRM Cc1nn(CC(=O)N[C@@]2(CC(=O)[O-])CCCOC2)c(=O)n1C ZINC001600780732 1017730680 /nfs/dbraw/zinc/73/06/80/1017730680.db2.gz MWMLCYQFHRJVCX-CYBMUJFWSA-N -1 0 312.326 -0.970 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@H]1OCCN(C)C1=O ZINC001600781133 1017730953 /nfs/dbraw/zinc/73/09/53/1017730953.db2.gz PHUJVMYCZMESCV-GFCCVEGCSA-N -1 0 324.337 -0.942 20 0 DBADRM Cc1nn2cccnc2c1C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001600790218 1017730998 /nfs/dbraw/zinc/73/09/98/1017730998.db2.gz CUHNSGKUZPJZTO-UWVGGRQHSA-N -1 0 304.306 -0.055 20 0 DBADRM Cc1nn(CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)c(=O)n1C ZINC001600779128 1017731274 /nfs/dbraw/zinc/73/12/74/1017731274.db2.gz TVLWNGJOYRTSCH-GRYCIOLGSA-N -1 0 322.365 -0.008 20 0 DBADRM Cc1nnc(CC(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)o1 ZINC001600794577 1017732626 /nfs/dbraw/zinc/73/26/26/1017732626.db2.gz QIVRHWSWFVUAAP-RKDXNWHRSA-N -1 0 322.321 -0.594 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)[nH]1 ZINC001600792541 1017732654 /nfs/dbraw/zinc/73/26/54/1017732654.db2.gz PLPFOSZTXSLXNV-ZCFIWIBFSA-N -1 0 320.309 -0.034 20 0 DBADRM Cc1nnc(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)n1C ZINC001600795419 1017732708 /nfs/dbraw/zinc/73/27/08/1017732708.db2.gz VBAOLZALNPXFLM-UHFFFAOYSA-N -1 0 300.300 -0.977 20 0 DBADRM Cc1nnc(CNCCN(CCO)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])o1 ZINC001600795398 1017732801 /nfs/dbraw/zinc/73/28/01/1017732801.db2.gz UCJQLECTZDYOIM-ZJUUUORDSA-N -1 0 312.326 -0.991 20 0 DBADRM Cc1nnccc1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600799601 1017733110 /nfs/dbraw/zinc/73/31/10/1017733110.db2.gz AUVKXOFABFXLMK-MNOVXSKESA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1nnc(-c2nnc(N3CCO[C@H](C(=O)[O-])C3)n2C)s1 ZINC001600792806 1017733118 /nfs/dbraw/zinc/73/31/18/1017733118.db2.gz BUXHAXAGKHXKOV-ZETCQYMHSA-N -1 0 310.339 -0.068 20 0 DBADRM Cc1nnccc1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600800152 1017733744 /nfs/dbraw/zinc/73/37/44/1017733744.db2.gz OTODRKUFBQCGSR-GHMZBOCLSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1 ZINC001600801158 1017733768 /nfs/dbraw/zinc/73/37/68/1017733768.db2.gz ZGDQGTPYIYRACA-NWDGAFQWSA-N -1 0 317.305 -0.057 20 0 DBADRM Cc1noc(C)c1NC(=O)C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001600810355 1017733777 /nfs/dbraw/zinc/73/37/77/1017733777.db2.gz LQXOSILWHNEQIZ-ZDUSSCGKSA-N -1 0 311.294 -0.020 20 0 DBADRM Cc1noc(C2CN(C(=O)NCCn3cc(C(=O)[O-])nn3)C2)n1 ZINC001600812763 1017734113 /nfs/dbraw/zinc/73/41/13/1017734113.db2.gz HCKKRUGDSHVTSI-UHFFFAOYSA-N -1 0 321.297 -0.523 20 0 DBADRM Cc1nnccc1C(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600800154 1017734185 /nfs/dbraw/zinc/73/41/85/1017734185.db2.gz OTODRKUFBQCGSR-QWRGUYRKSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1nncn1CCNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001600802018 1017734580 /nfs/dbraw/zinc/73/45/80/1017734580.db2.gz GYCWFCCXBQCZKK-UHFFFAOYSA-N -1 0 305.294 -0.737 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)CC2 ZINC001600801086 1017734647 /nfs/dbraw/zinc/73/46/47/1017734647.db2.gz JIFMQBUBTDNNRO-WCQYABFASA-N -1 0 322.365 -0.167 20 0 DBADRM Cc1noc([C@H]2OCC[C@H]2NS(=O)(=O)CCCC(=O)[O-])n1 ZINC001600817467 1017734898 /nfs/dbraw/zinc/73/48/98/1017734898.db2.gz WTZWXKYBYITOKO-SCZZXKLOSA-N -1 0 319.339 -0.008 20 0 DBADRM Cc1noc(CN2CC(CCO)(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600813395 1017735066 /nfs/dbraw/zinc/73/50/66/1017735066.db2.gz ZCOHBZZWAGLAHI-ZJUUUORDSA-N -1 0 324.337 -0.848 20 0 DBADRM Cc1noc([C@@H]2OCC[C@@H]2NC(=O)NCCOCC(=O)[O-])n1 ZINC001600815622 1017735389 /nfs/dbraw/zinc/73/53/89/1017735389.db2.gz WVMIAGVHINPXDF-WCBMZHEXSA-N -1 0 314.298 -0.392 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)n1 ZINC001600813645 1017735425 /nfs/dbraw/zinc/73/54/25/1017735425.db2.gz ZIGOVUOQYCTWLF-SNVBAGLBSA-N -1 0 324.337 -0.346 20 0 DBADRM Cc1noc(CNC(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)n1 ZINC001600813457 1017735725 /nfs/dbraw/zinc/73/57/25/1017735725.db2.gz ZOOXBRTWQLYLBI-VIFPVBQESA-N -1 0 322.321 -0.292 20 0 DBADRM Cc1noc(CNC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)n1 ZINC001600814668 1017735755 /nfs/dbraw/zinc/73/57/55/1017735755.db2.gz LFPCFYGOMRRFRX-GFCCVEGCSA-N -1 0 309.282 -0.107 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600818001 1017735826 /nfs/dbraw/zinc/73/58/26/1017735826.db2.gz UHKSANCOFSKSGU-QCLAVDOMSA-N -1 0 322.321 -0.277 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H](C)/C=C\C(=O)[O-] ZINC001600857864 1017736596 /nfs/dbraw/zinc/73/65/96/1017736596.db2.gz MAEOMQAGHZYJQY-KGJQDRRLSA-N -1 0 302.308 -0.005 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N[C@H](CCF)C(=O)[O-] ZINC001600835701 1017736670 /nfs/dbraw/zinc/73/66/70/1017736670.db2.gz LOGILAJUDVXAAF-ZCFIWIBFSA-N -1 0 308.287 -0.222 20 0 DBADRM Cc1oc(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])cc1S(N)(=O)=O ZINC001600823209 1017736803 /nfs/dbraw/zinc/73/68/03/1017736803.db2.gz HWTQPNSLXWUIAE-RNFRBKRXSA-N -1 0 302.308 -0.314 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001600857540 1017737301 /nfs/dbraw/zinc/73/73/01/1017737301.db2.gz GFURFUSLKNMDIO-MRVPVSSYSA-N -1 0 302.308 -0.075 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C)[C@@H](CO)C1 ZINC001600833973 1017737322 /nfs/dbraw/zinc/73/73/22/1017737322.db2.gz UXXXUWUNLFHZPS-SECBINFHSA-N -1 0 318.351 -0.417 20 0 DBADRM Cc1oc(CNC(=O)CN2CC(=O)N(C)C2=O)cc1C(=O)[O-] ZINC001600847417 1017737678 /nfs/dbraw/zinc/73/76/78/1017737678.db2.gz ZGHBGXRHRUMUAD-UHFFFAOYSA-N -1 0 309.278 -0.204 20 0 DBADRM Cc1oc(CNC(=O)C(=O)Nc2cnnn2C)cc1C(=O)[O-] ZINC001600847353 1017737633 /nfs/dbraw/zinc/73/76/33/1017737633.db2.gz FLBZOYLXTTYVQJ-UHFFFAOYSA-N -1 0 307.266 -0.330 20 0 DBADRM Cc1oc(CNC(=O)C(=O)NCc2nccn2C)cc1C(=O)[O-] ZINC001600846563 1017737786 /nfs/dbraw/zinc/73/77/86/1017737786.db2.gz UYJZGLDQADUINA-UHFFFAOYSA-N -1 0 320.305 -0.048 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC3(CC(=O)[O-])CC3)cnc21 ZINC001600893510 1017738296 /nfs/dbraw/zinc/73/82/96/1017738296.db2.gz GYPBRMUVGALCEH-UHFFFAOYSA-N -1 0 318.289 -0.229 20 0 DBADRM Cc1sc(=O)n(CCC(=O)N2CC(O)(C(=O)[O-])C2)c1C ZINC001600865108 1017738808 /nfs/dbraw/zinc/73/88/08/1017738808.db2.gz NRKAOQVDPZIPBJ-UHFFFAOYSA-N -1 0 300.336 -0.425 20 0 DBADRM Cc1ocnc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600861916 1017739177 /nfs/dbraw/zinc/73/91/77/1017739177.db2.gz SQAUBEPYIVSNIT-ZJUUUORDSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1oc(S(=O)(=O)N2CCC(CO)(CO)C2)cc1C(=O)[O-] ZINC001600858097 1017739281 /nfs/dbraw/zinc/73/92/81/1017739281.db2.gz VSDRAJVELCSUQI-UHFFFAOYSA-N -1 0 319.335 -0.348 20 0 DBADRM Cn1c(=O)cccc1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600900153 1017740783 /nfs/dbraw/zinc/74/07/83/1017740783.db2.gz JDBHQMWIXCORKG-VHSXEESVSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001600902833 1017740818 /nfs/dbraw/zinc/74/08/18/1017740818.db2.gz BEAXXDFGMOKDTL-GFCCVEGCSA-N -1 0 316.335 -0.997 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c1=O ZINC001600896939 1017741132 /nfs/dbraw/zinc/74/11/32/1017741132.db2.gz XWONMPYOFVUZGH-NSHDSACASA-N -1 0 323.349 -0.303 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NCCNC(=O)c1cnccn1 ZINC001600903601 1017741374 /nfs/dbraw/zinc/74/13/74/1017741374.db2.gz LJYKEWYDRFFKGD-UHFFFAOYSA-N -1 0 317.305 -0.327 20 0 DBADRM Cn1c(=O)cc(CNC(C)(C)c2cc(C(=O)[O-])on2)n(C)c1=O ZINC001600916311 1017743098 /nfs/dbraw/zinc/74/30/98/1017743098.db2.gz HTSLISMYDAGQBE-UHFFFAOYSA-N -1 0 322.321 -0.205 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001600914282 1017743130 /nfs/dbraw/zinc/74/31/30/1017743130.db2.gz GIWJOXDFNJSUBY-UHFFFAOYSA-N -1 0 323.313 -0.141 20 0 DBADRM Cn1c(CO)nc2cc(C(=O)NCCOCC(=O)[O-])ccc21 ZINC001600918268 1017743391 /nfs/dbraw/zinc/74/33/91/1017743391.db2.gz CTIVNWCRNAAGDA-UHFFFAOYSA-N -1 0 307.306 -0.103 20 0 DBADRM Cn1c(N2CCO[C@@H](CC(=O)[O-])C2)nnc1[C@@]1(O)CCOC1 ZINC001600920491 1017744691 /nfs/dbraw/zinc/74/46/91/1017744691.db2.gz KJICENXRFFIECB-TVQRCGJNSA-N -1 0 312.326 -0.897 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001600922048 1017744719 /nfs/dbraw/zinc/74/47/19/1017744719.db2.gz TYYNJLIICWWEHE-NKWVEPMBSA-N -1 0 323.758 -0.470 20 0 DBADRM Cn1cc(C(=O)CCC(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])cn1 ZINC001600927907 1017745048 /nfs/dbraw/zinc/74/50/48/1017745048.db2.gz KUMFYNYPGDMUKL-NSHDSACASA-N -1 0 319.321 -0.151 20 0 DBADRM Cn1c(N2CC[C@H](C(=O)[O-])C2)nnc1C1(CO)CCOCC1 ZINC001600920495 1017745440 /nfs/dbraw/zinc/74/54/40/1017745440.db2.gz KLRZBFWFSGTODM-JTQLQIEISA-N -1 0 310.354 -0.234 20 0 DBADRM Cn1cc(C(=O)N2CC[C@H](Nc3ccnc(C(=O)[O-])n3)C2)nn1 ZINC001600928160 1017745805 /nfs/dbraw/zinc/74/58/05/1017745805.db2.gz FEMSZTLYVHZNJQ-QMMMGPOBSA-N -1 0 317.309 -0.948 20 0 DBADRM Cn1cc(-c2cn([C@H]3CCN(CCC(=O)[O-])C3=O)nn2)cn1 ZINC001600924732 1017745971 /nfs/dbraw/zinc/74/59/71/1017745971.db2.gz MEHXKAAEFKBCJM-NSHDSACASA-N -1 0 304.310 -0.073 20 0 DBADRM Cn1c(N2CCO[C@H](CC(=O)[O-])C2)nnc1[C@@]1(C)CNC(=O)C1 ZINC001600919507 1017746047 /nfs/dbraw/zinc/74/60/47/1017746047.db2.gz ANBQWNMHVRDVQI-YMTOWFKASA-N -1 0 323.353 -0.727 20 0 DBADRM Cn1c(N2CC[C@@](F)(C(=O)[O-])C2)nnc1[C@]1(O)CCOC1 ZINC001600919790 1017746091 /nfs/dbraw/zinc/74/60/91/1017746091.db2.gz GOKWAYWVWCPIRQ-RYUDHWBXSA-N -1 0 300.290 -0.574 20 0 DBADRM Cn1cc(C(=O)N2CC[C@H](Nc3ncc(C(=O)[O-])cn3)C2)nn1 ZINC001600928751 1017746726 /nfs/dbraw/zinc/74/67/26/1017746726.db2.gz OEQIKTJEDWLOQX-VIFPVBQESA-N -1 0 317.309 -0.370 20 0 DBADRM Cn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001600930529 1017746754 /nfs/dbraw/zinc/74/67/54/1017746754.db2.gz HVOFPGSBRXOYSW-AATLWQCWSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cn1 ZINC001600929742 1017746848 /nfs/dbraw/zinc/74/68/48/1017746848.db2.gz DTKXZRYQJYXTTC-NXEZZACHSA-N -1 0 306.322 -0.481 20 0 DBADRM Cn1cc(C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])n(C)c1=O ZINC001600930640 1017747159 /nfs/dbraw/zinc/74/71/59/1017747159.db2.gz JBXLHPQAEKTEKN-GFCCVEGCSA-N -1 0 319.317 -0.014 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001600930314 1017747324 /nfs/dbraw/zinc/74/73/24/1017747324.db2.gz SRQBGKMGBLTILH-NAKRPEOUSA-N -1 0 306.322 -0.482 20 0 DBADRM Cn1cc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c(=O)n(C)c1=O ZINC001600931050 1017747596 /nfs/dbraw/zinc/74/75/96/1017747596.db2.gz GDTRGKIPOZIRCY-SECBINFHSA-N -1 0 311.338 -0.297 20 0 DBADRM Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C(=O)[O-])cn1 ZINC001600929671 1017747836 /nfs/dbraw/zinc/74/78/36/1017747836.db2.gz AUQVLOFFJDVGOG-SDDRHHMPSA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]c1=O ZINC001600930579 1017747898 /nfs/dbraw/zinc/74/78/98/1017747898.db2.gz XMSUFQYLIUADMI-KZVJFYERSA-N -1 0 322.321 -0.777 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)[C@@H]2CCc3nnn(C)c3C2)n1 ZINC001600931903 1017748865 /nfs/dbraw/zinc/74/88/65/1017748865.db2.gz AWDYWXABOYCKEB-SSDOTTSWSA-N -1 0 304.310 -0.010 20 0 DBADRM Cn1cc(C(=O)Nc2cccc(C(=O)[O-])n2)c(=O)n(C)c1=O ZINC001600932695 1017748932 /nfs/dbraw/zinc/74/89/32/1017748932.db2.gz MUZNUOMDDVLHSV-UHFFFAOYSA-N -1 0 304.262 -0.571 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)CCCN2C(=O)CNC2=O)n1 ZINC001600934090 1017748954 /nfs/dbraw/zinc/74/89/54/1017748954.db2.gz YWGYPZUGBUBYOE-UHFFFAOYSA-N -1 0 309.282 -0.611 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)cn1 ZINC001600942632 1017750267 /nfs/dbraw/zinc/75/02/67/1017750267.db2.gz LAHDXJWLGYMDNB-CABZTGNLSA-N -1 0 319.321 -0.001 20 0 DBADRM Cn1cc(C2=NC[C@@H](CN3CCO[C@H](CC(=O)[O-])C3)O2)cn1 ZINC001600946749 1017750643 /nfs/dbraw/zinc/75/06/43/1017750643.db2.gz UILRMLIDMREULM-NEPJUHHUSA-N -1 0 308.338 -0.259 20 0 DBADRM Cn1cc(C[C@H](CO)CNS(=O)(=O)CCCC(=O)[O-])cn1 ZINC001600947612 1017752341 /nfs/dbraw/zinc/75/23/41/1017752341.db2.gz MZUSYBTZVJUXAF-NSHDSACASA-N -1 0 319.383 -0.645 20 0 DBADRM Cn1cc(/C=C\C(=O)NCC(C)(C)CC(=O)[O-])c(=O)n(C)c1=O ZINC001600946984 1017752351 /nfs/dbraw/zinc/75/23/51/1017752351.db2.gz XCRMEWYOPBHAEZ-WAYWQWQTSA-N -1 0 323.349 -0.286 20 0 DBADRM Cn1cc(CCC(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)nn1 ZINC001600949359 1017752457 /nfs/dbraw/zinc/75/24/57/1017752457.db2.gz ZGIPAIWPHZSUPD-SNVBAGLBSA-N -1 0 310.310 -0.634 20 0 DBADRM Cn1cc(CC(=O)NCCCNc2ccnc(C(=O)[O-])n2)cn1 ZINC001600948889 1017753036 /nfs/dbraw/zinc/75/30/36/1017753036.db2.gz VVLDRJQHZRQIHW-UHFFFAOYSA-N -1 0 318.337 -0.509 20 0 DBADRM Cn1cc(CNc2cccc(CC(=O)[O-])n2)c(=O)n(C)c1=O ZINC001600956454 1017753905 /nfs/dbraw/zinc/75/39/05/1017753905.db2.gz FTDVUAWCRBMLSM-UHFFFAOYSA-N -1 0 304.306 -0.282 20 0 DBADRM Cn1cc(CN2CCN(Cc3cn(CC(=O)[O-])nn3)CC2)cn1 ZINC001600953743 1017754659 /nfs/dbraw/zinc/75/46/59/1017754659.db2.gz YHBYVHBBVMOFLI-UHFFFAOYSA-N -1 0 319.369 -0.586 20 0 DBADRM Cn1cc(CNC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)cn1 ZINC001600953310 1017754836 /nfs/dbraw/zinc/75/48/36/1017754836.db2.gz AKMIXNYCVWQSBM-JTQLQIEISA-N -1 0 319.325 -0.134 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@@H](CO)CCF)cc1C(=O)[O-] ZINC001600958733 1017755451 /nfs/dbraw/zinc/75/54/51/1017755451.db2.gz JMPUFGLLSQLRQT-SSDOTTSWSA-N -1 0 301.274 -0.502 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)Cn3ccc(C(=O)[O-])n3)C2)cn1 ZINC001600960204 1017756315 /nfs/dbraw/zinc/75/63/15/1017756315.db2.gz COZOUGZKTDNTST-JTQLQIEISA-N -1 0 318.337 -0.290 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC3(C2)CNC(=O)O3)cc1C(=O)[O-] ZINC001600967070 1017757012 /nfs/dbraw/zinc/75/70/12/1017757012.db2.gz BVLBWLOZYPZHLI-UHFFFAOYSA-N -1 0 315.307 -0.794 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N3CC[C@@H]3C(=O)[O-])CCC2=O)cn1 ZINC001600962184 1017757046 /nfs/dbraw/zinc/75/70/46/1017757046.db2.gz RDOKJPKMKVIYST-MWLCHTKSSA-N -1 0 306.322 -0.151 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)nc1Cl ZINC001600967268 1017757387 /nfs/dbraw/zinc/75/73/87/1017757387.db2.gz IBRTYOUUFCQQMC-BQBZGAKWSA-N -1 0 323.758 -0.470 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2=O)cn1 ZINC001600962211 1017757576 /nfs/dbraw/zinc/75/75/76/1017757576.db2.gz RNBAIERUPGDSDC-LPEHRKFASA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1cc(NC(=O)N2CCN(C(=O)CO)CC2)cc1C(=O)[O-] ZINC001600962460 1017757671 /nfs/dbraw/zinc/75/76/71/1017757671.db2.gz CVWIZJRLTKHDDY-UHFFFAOYSA-N -1 0 310.310 -0.608 20 0 DBADRM Cn1cc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1C(=O)[O-] ZINC001600961464 1017758074 /nfs/dbraw/zinc/75/80/74/1017758074.db2.gz YRAIIOSGVKKWIX-UHFFFAOYSA-N -1 0 308.294 -0.008 20 0 DBADRM Cn1ccc(C(=O)NC[C@H](CO)Nc2ccnc(C(=O)[O-])n2)c1 ZINC001600972433 1017759098 /nfs/dbraw/zinc/75/90/98/1017759098.db2.gz BHITXGJXVFFPNU-SNVBAGLBSA-N -1 0 319.321 -0.862 20 0 DBADRM Cn1ccc(C(=O)N2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600970874 1017759755 /nfs/dbraw/zinc/75/97/55/1017759755.db2.gz GWCNGFDNRAMSFI-UWVGGRQHSA-N -1 0 306.322 -0.671 20 0 DBADRM Cn1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001600971303 1017760343 /nfs/dbraw/zinc/76/03/43/1017760343.db2.gz RLLBLDJMPMAUED-OMHSBUABSA-N -1 0 318.333 -0.673 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)OCC(=O)CCC(=O)[O-] ZINC001600969964 1017760866 /nfs/dbraw/zinc/76/08/66/1017760866.db2.gz SQYVBNCRCUJEEZ-UHFFFAOYSA-N -1 0 318.307 -0.737 20 0 DBADRM Cn1cc(S(=O)(=O)NCC2(CC(=O)[O-])CCOCC2)cn1 ZINC001600968851 1017761078 /nfs/dbraw/zinc/76/10/78/1017761078.db2.gz FWGWSDKEITWWHJ-UHFFFAOYSA-N -1 0 317.367 -0.030 20 0 DBADRM Cn1cc2cnn(CN3CCOC[C@H]3CC(=O)[O-])c(=O)c2n1 ZINC001600971133 1017762143 /nfs/dbraw/zinc/76/21/43/1017762143.db2.gz OZQAONZYATWGPK-SNVBAGLBSA-N -1 0 307.310 -0.737 20 0 DBADRM Cn1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600972710 1017763064 /nfs/dbraw/zinc/76/30/64/1017763064.db2.gz RTCNQQUGVFXSRO-VLEAKVRGSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600972709 1017763212 /nfs/dbraw/zinc/76/32/12/1017763212.db2.gz RTCNQQUGVFXSRO-NAKRPEOUSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])n1 ZINC001600977752 1017764228 /nfs/dbraw/zinc/76/42/28/1017764228.db2.gz KZKBIKDTUGSENN-DTWKUNHWSA-N -1 0 303.340 -0.279 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)n1 ZINC001600974928 1017764549 /nfs/dbraw/zinc/76/45/49/1017764549.db2.gz BPKYMFYUDGBWBT-LLVKDONJSA-N -1 0 322.365 -0.304 20 0 DBADRM Cn1ccc(CCC(=O)N(CCN2CCOCC2)CC(=O)[O-])n1 ZINC001600973870 1017764566 /nfs/dbraw/zinc/76/45/66/1017764566.db2.gz INBRVENUIRDRIL-UHFFFAOYSA-N -1 0 324.381 -0.402 20 0 DBADRM Cn1ccc(NC(=O)CNC(=O)c2ccc(C(=O)[O-])cn2)n1 ZINC001600975021 1017764577 /nfs/dbraw/zinc/76/45/77/1017764577.db2.gz IYZDFOQPUGFDSO-UHFFFAOYSA-N -1 0 303.278 -0.118 20 0 DBADRM Cn1ccc(NC(=O)CNS(=O)(=O)CCCC(=O)[O-])n1 ZINC001600975077 1017764761 /nfs/dbraw/zinc/76/47/61/1017764761.db2.gz JWKWHGGEWILHIE-UHFFFAOYSA-N -1 0 304.328 -0.857 20 0 DBADRM Cn1ccc(S(=O)(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)n1 ZINC001600977659 1017765956 /nfs/dbraw/zinc/76/59/56/1017765956.db2.gz YBXOEJBBSKQHEG-NSHDSACASA-N -1 0 314.323 -0.586 20 0 DBADRM Cn1ccc(COC(=O)Cn2cccc(C(=O)[O-])c2=O)cc1=O ZINC001600974501 1017766044 /nfs/dbraw/zinc/76/60/44/1017766044.db2.gz CPDLWRQQQIKWOD-UHFFFAOYSA-N -1 0 318.285 -0.011 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])c1=O ZINC001600979596 1017766410 /nfs/dbraw/zinc/76/64/10/1017766410.db2.gz PMPPPBZQKUNXBE-IUCAKERBSA-N -1 0 307.306 -0.307 20 0 DBADRM Cn1ccnc1Cc1nnc(N2CCO[C@@H](CC(=O)[O-])C2)n1C ZINC001600986202 1017767406 /nfs/dbraw/zinc/76/74/06/1017767406.db2.gz APWQXFWMHRGHPX-JTQLQIEISA-N -1 0 320.353 -0.181 20 0 DBADRM Cn1cnc(C(=O)N[C@@H]2CCN(c3ccnc(C(=O)[O-])n3)C2)n1 ZINC001600986613 1017767929 /nfs/dbraw/zinc/76/79/29/1017767929.db2.gz CBVILPQLNVKARM-MRVPVSSYSA-N -1 0 317.309 -0.688 20 0 DBADRM Cn1cccc1C(=O)C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001600979544 1017768093 /nfs/dbraw/zinc/76/80/93/1017768093.db2.gz NOZANJRNWLXLGF-VIFPVBQESA-N -1 0 310.306 -0.070 20 0 DBADRM Cn1ccnc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c1=O ZINC001600981138 1017768461 /nfs/dbraw/zinc/76/84/61/1017768461.db2.gz PTHSMJNVNLDBLV-CQSZACIVSA-N -1 0 308.338 -0.854 20 0 DBADRM Cn1cnc(C(=O)N[C@@H]2CCN(c3ncc(C(=O)[O-])cn3)C2)n1 ZINC001600986595 1017768597 /nfs/dbraw/zinc/76/85/97/1017768597.db2.gz BZDWQNUSYMFQPH-SECBINFHSA-N -1 0 317.309 -0.688 20 0 DBADRM Cn1ccnc1CNCCN(CCO)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600986401 1017768610 /nfs/dbraw/zinc/76/86/10/1017768610.db2.gz BMHQDIDOPBXNKW-WDEREUQCSA-N -1 0 310.354 -0.949 20 0 DBADRM Cn1cnc(C(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])n1 ZINC001600989839 1017770413 /nfs/dbraw/zinc/77/04/13/1017770413.db2.gz FDJDAAWQRWDELZ-ZETCQYMHSA-N -1 0 314.298 -0.050 20 0 DBADRM Cn1cnc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600988112 1017770802 /nfs/dbraw/zinc/77/08/02/1017770802.db2.gz ZOOCPVRUGWWLSN-JXUBOQSCSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1cncc1C(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001600992236 1017770828 /nfs/dbraw/zinc/77/08/28/1017770828.db2.gz GDIGSQLBDIHPKJ-SECBINFHSA-N -1 0 316.321 -0.083 20 0 DBADRM Cn1cnc(CCCNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001600990526 1017771491 /nfs/dbraw/zinc/77/14/91/1017771491.db2.gz WQDGHGKQOCLFMG-UWVGGRQHSA-N -1 0 311.342 -0.775 20 0 DBADRM Cn1cnc(C(=O)NC/C=C/CNc2ncc(C(=O)[O-])cn2)n1 ZINC001600987318 1017771536 /nfs/dbraw/zinc/77/15/36/1017771536.db2.gz MYZAPOOVPAQHOM-NSCUHMNNSA-N -1 0 317.309 -0.299 20 0 DBADRM Cn1cnc(NC(=O)C(=O)NCCc2cccc(C(=O)[O-])c2)n1 ZINC001600989251 1017771833 /nfs/dbraw/zinc/77/18/33/1017771833.db2.gz BYNLKWQQRRJWTI-UHFFFAOYSA-N -1 0 317.305 -0.189 20 0 DBADRM Cn1cnc(C(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])cc1=O ZINC001600987442 1017771990 /nfs/dbraw/zinc/77/19/90/1017771990.db2.gz PARLPLFWZOUYSS-ONGXEEELSA-N -1 0 309.322 -0.220 20 0 DBADRM Cn1cnc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC001600989781 1017772687 /nfs/dbraw/zinc/77/26/87/1017772687.db2.gz RORJEMLDPZFKEZ-VIFPVBQESA-N -1 0 315.289 -0.031 20 0 DBADRM Cn1cnc(C(=O)N2CC[C@@H](Nc3ncc(C(=O)[O-])cn3)C2)n1 ZINC001600987985 1017772922 /nfs/dbraw/zinc/77/29/22/1017772922.db2.gz OYLFEFBDVAQNHJ-SECBINFHSA-N -1 0 317.309 -0.370 20 0 DBADRM Cn1cnc(NC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)n1 ZINC001600989960 1017773064 /nfs/dbraw/zinc/77/30/64/1017773064.db2.gz WTQAQOIGEUDRAG-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM Cn1cnc(S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c1Cl ZINC001600990891 1017773211 /nfs/dbraw/zinc/77/32/11/1017773211.db2.gz INUIRHFJXMJXIY-RNFRBKRXSA-N -1 0 323.758 -0.159 20 0 DBADRM Cn1cncc1CCC(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600993410 1017773543 /nfs/dbraw/zinc/77/35/43/1017773543.db2.gz MOGZAVVGNSEOIJ-RYUDHWBXSA-N -1 0 320.349 -0.600 20 0 DBADRM Cn1cnn(CCC(=O)OCc2cnc(C(=O)[O-])cn2)c1=O ZINC001600994085 1017774204 /nfs/dbraw/zinc/77/42/04/1017774204.db2.gz AKQIJHVKDRNFKA-UHFFFAOYSA-N -1 0 307.266 -0.797 20 0 DBADRM Cn1cncc1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600992346 1017776451 /nfs/dbraw/zinc/77/64/51/1017776451.db2.gz LKIYZAOOANBJPG-RKDXNWHRSA-N -1 0 306.322 -0.481 20 0 DBADRM Cn1cnn(CCC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1=O ZINC001600995070 1017776773 /nfs/dbraw/zinc/77/67/73/1017776773.db2.gz FISJYRPNJYTEAP-YGRLFVJLSA-N -1 0 308.338 -0.172 20 0 DBADRM Cn1cncc1C(=O)NCC1(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600992345 1017777506 /nfs/dbraw/zinc/77/75/06/1017777506.db2.gz LKIYZAOOANBJPG-IUCAKERBSA-N -1 0 306.322 -0.481 20 0 DBADRM Cn1cnnc1COCC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001600996227 1017777921 /nfs/dbraw/zinc/77/79/21/1017777921.db2.gz SIGWZEWYQXGWHP-UHFFFAOYSA-N -1 0 322.325 -0.013 20 0 DBADRM Cn1cnn(CCC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1=O ZINC001600996033 1017778478 /nfs/dbraw/zinc/77/84/78/1017778478.db2.gz PHTLHFOUPJBOKW-SNVBAGLBSA-N -1 0 310.335 -0.025 20 0 DBADRM Cn1cnn(CC(=O)NCCc2ccc(C(=O)[O-])cc2)c1=O ZINC001600995484 1017778531 /nfs/dbraw/zinc/77/85/31/1017778531.db2.gz KKPKPOFYWSRLGS-UHFFFAOYSA-N -1 0 304.306 -0.361 20 0 DBADRM Cn1cnnc1COCC(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001600995799 1017778869 /nfs/dbraw/zinc/77/88/69/1017778869.db2.gz JOJRDZAUPXDODB-ZDUSSCGKSA-N -1 0 312.326 -0.528 20 0 DBADRM Cn1cnnc1CNC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCC1 ZINC001600996496 1017780114 /nfs/dbraw/zinc/78/01/14/1017780114.db2.gz WVLGTEQJQULMDY-ZJUUUORDSA-N -1 0 307.354 -0.336 20 0 DBADRM Cn1nc(C(=O)NCC2(CC(=O)[O-])CCOCC2)ccc1=O ZINC001600999027 1017780199 /nfs/dbraw/zinc/78/01/99/1017780199.db2.gz XJCJVQAJSYTJFJ-UHFFFAOYSA-N -1 0 309.322 -0.218 20 0 DBADRM Cn1cnnc1[C@H]1CCCN1CCc1cn(CC(=O)[O-])nn1 ZINC001600995768 1017780771 /nfs/dbraw/zinc/78/07/71/1017780771.db2.gz ATBNVNKAKXBBPK-LLVKDONJSA-N -1 0 305.342 -0.129 20 0 DBADRM Cn1nc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)ccc1=O ZINC001601005244 1017781380 /nfs/dbraw/zinc/78/13/80/1017781380.db2.gz GOMYMGKUABDUGJ-VIFPVBQESA-N -1 0 309.278 -0.987 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC001601000365 1017781909 /nfs/dbraw/zinc/78/19/09/1017781909.db2.gz BINNIXZMCHJJBL-OAQYLSRUSA-N -1 0 315.355 -0.532 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCC(=O)Nc1cccnc1 ZINC001601001271 1017781958 /nfs/dbraw/zinc/78/19/58/1017781958.db2.gz ZOIAWEXEBHODRK-UHFFFAOYSA-N -1 0 303.278 -0.118 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)N1CCS(=O)(=O)CCO1 ZINC001601004778 1017782050 /nfs/dbraw/zinc/78/20/50/1017782050.db2.gz ZLKHNMCEMMYETC-UHFFFAOYSA-N -1 0 318.311 -0.688 20 0 DBADRM Cn1nc(C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])cc1C=O ZINC001601013585 1017783311 /nfs/dbraw/zinc/78/33/11/1017783311.db2.gz SPQPFBKFLBVNBG-CYBMUJFWSA-N -1 0 305.294 -0.298 20 0 DBADRM Cn1nc(C2CC2)cc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001601013146 1017783599 /nfs/dbraw/zinc/78/35/99/1017783599.db2.gz OIVWGYSSWWMBOH-JTQLQIEISA-N -1 0 315.351 -0.228 20 0 DBADRM Cn1nc(C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])cc1C=O ZINC001601013586 1017783798 /nfs/dbraw/zinc/78/37/98/1017783798.db2.gz SPQPFBKFLBVNBG-ZDUSSCGKSA-N -1 0 305.294 -0.298 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)Nc1cc(C(=O)[O-])n(C)n1)CC2 ZINC001601011607 1017784247 /nfs/dbraw/zinc/78/42/47/1017784247.db2.gz IUNAIYNMUTYBHI-ZETCQYMHSA-N -1 0 304.310 -0.010 20 0 DBADRM Cn1nc(NC(=O)CCCN2C(=O)CNC2=O)cc1C(=O)[O-] ZINC001601012939 1017784300 /nfs/dbraw/zinc/78/43/00/1017784300.db2.gz HSEHYTOHXFRNAL-UHFFFAOYSA-N -1 0 309.282 -0.611 20 0 DBADRM Cn1nc(C(=O)N[C@@](C)(CO)C(=O)[O-])cc1Br ZINC001601012442 1017784404 /nfs/dbraw/zinc/78/44/04/1017784404.db2.gz LNNHNKSIWZRYLI-VIFPVBQESA-N -1 0 306.116 -0.252 20 0 DBADRM Cn1ncc(CN2CCC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001601026212 1017786319 /nfs/dbraw/zinc/78/63/19/1017786319.db2.gz KYSCYOZFAFUWEC-NEPJUHHUSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1ncc(C(=O)N[C@@H]2CCN(c3ncc(C(=O)[O-])cn3)C2)n1 ZINC001601021882 1017786335 /nfs/dbraw/zinc/78/63/35/1017786335.db2.gz RATGKYPTYDFENP-SECBINFHSA-N -1 0 317.309 -0.688 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N[C@@H]1COC2(CCC2)C1 ZINC001601021545 1017786899 /nfs/dbraw/zinc/78/68/99/1017786899.db2.gz HWZSZKGPAPTMHS-QMMMGPOBSA-N -1 0 322.321 -0.115 20 0 DBADRM Cn1ncc(C(=O)NC2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001601022178 1017787099 /nfs/dbraw/zinc/78/70/99/1017787099.db2.gz ZRKZCAWNKJCSHQ-ZJUUUORDSA-N -1 0 321.337 -0.743 20 0 DBADRM NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001601144468 1017811456 /nfs/dbraw/zinc/81/14/56/1017811456.db2.gz HNMFJRHWPCKFEI-IUCAKERBSA-N -1 0 304.368 -0.185 20 0 DBADRM Cn1nccc1C(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001601031638 1017789541 /nfs/dbraw/zinc/78/95/41/1017789541.db2.gz IMBNYTIFTQAQFJ-SNVBAGLBSA-N -1 0 316.321 -0.083 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)[O-] ZINC001601031611 1017790057 /nfs/dbraw/zinc/79/00/57/1017790057.db2.gz HTIRCHJZMJAYOF-KMIYQGBJSA-N -1 0 321.333 -0.096 20 0 DBADRM Cn1ncc(NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1=O ZINC001601028579 1017791102 /nfs/dbraw/zinc/79/11/02/1017791102.db2.gz MICBRALHHBQCMI-LLVKDONJSA-N -1 0 310.310 -0.530 20 0 DBADRM Cn1ncc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])c(Cl)c1=O ZINC001601028552 1017791229 /nfs/dbraw/zinc/79/12/29/1017791229.db2.gz LGOWHCNAMPYKLC-SSDOTTSWSA-N -1 0 314.729 -0.397 20 0 DBADRM Cn1nccc1[C@H](NCC(=O)NCc1ccccn1)C(=O)[O-] ZINC001601033523 1017791689 /nfs/dbraw/zinc/79/16/89/1017791689.db2.gz JVNYEBMAKCQKAG-ZDUSSCGKSA-N -1 0 303.322 -0.153 20 0 DBADRM Cn1nccc1C(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001601032132 1017791714 /nfs/dbraw/zinc/79/17/14/1017791714.db2.gz VHLKVLLPBXUDGI-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@@H]1CCc2nncn2C1)C(=O)[O-] ZINC001601032931 1017791879 /nfs/dbraw/zinc/79/18/79/1017791879.db2.gz NJGFCOZQHZDJDE-LDYMZIIASA-N -1 0 304.310 -0.484 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-] ZINC001601033038 1017791964 /nfs/dbraw/zinc/79/19/64/1017791964.db2.gz QUURMIOFZRXECZ-QPUJVOFHSA-N -1 0 318.337 -0.404 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CCn1cnccc1=O)C(=O)[O-] ZINC001601033232 1017792193 /nfs/dbraw/zinc/79/21/93/1017792193.db2.gz XZSYDAJYMWRSBQ-GFCCVEGCSA-N -1 0 305.294 -0.691 20 0 DBADRM Cn1ncc2c1CN(S(=O)(=O)c1cnn(CC(=O)[O-])c1)C2 ZINC001601032688 1017792260 /nfs/dbraw/zinc/79/22/60/1017792260.db2.gz LBBGEZKHIYRPGM-UHFFFAOYSA-N -1 0 311.323 -0.594 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)c1cnc2[nH]c(=O)[nH]c2c1)C(=O)[O-] ZINC001601033321 1017792389 /nfs/dbraw/zinc/79/23/89/1017792389.db2.gz CJUAVUGVPZMVQS-SECBINFHSA-N -1 0 316.277 -0.047 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001601032953 1017792852 /nfs/dbraw/zinc/79/28/52/1017792852.db2.gz NWNZASQUJIXCHQ-XVKPBYJWSA-N -1 0 320.309 -0.778 20 0 DBADRM Cn1ncnc1CN1CCC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601038557 1017794162 /nfs/dbraw/zinc/79/41/62/1017794162.db2.gz AIAVCOSUIVOIRS-VXGBXAGGSA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1ncnc1Cn1cc(CN2CCCC[C@@H]2C(=O)[O-])nn1 ZINC001601039512 1017794397 /nfs/dbraw/zinc/79/43/97/1017794397.db2.gz HWZPUOQRRPKRDT-LLVKDONJSA-N -1 0 305.342 -0.106 20 0 DBADRM Cn1ncnc1CCCNS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001601038733 1017794528 /nfs/dbraw/zinc/79/45/28/1017794528.db2.gz JUFVBFUUNFNRQL-UHFFFAOYSA-N -1 0 304.372 -0.222 20 0 DBADRM Cn1nccc1C1(O)CN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001601037219 1017795474 /nfs/dbraw/zinc/79/54/74/1017795474.db2.gz XSPYHKYMLWVRBU-UHFFFAOYSA-N -1 0 302.290 -0.143 20 0 DBADRM Cn1nnc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1C(F)F ZINC001601041128 1017796913 /nfs/dbraw/zinc/79/69/13/1017796913.db2.gz RWBVSVCBFJOKKB-JTQLQIEISA-N -1 0 305.241 -0.194 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])CC2 ZINC001601041930 1017799866 /nfs/dbraw/zinc/79/98/66/1017799866.db2.gz FFHQWRWJCFFBTQ-YGOYTEALSA-N -1 0 308.338 -0.474 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])CC2 ZINC001601041929 1017800017 /nfs/dbraw/zinc/80/00/17/1017800017.db2.gz FFHQWRWJCFFBTQ-KBVBSXBZSA-N -1 0 308.338 -0.474 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)NC[C@@]1(C(=O)[O-])CCOC1)CC2 ZINC001601042375 1017800110 /nfs/dbraw/zinc/80/01/10/1017800110.db2.gz LPTNDGCOQIGJSC-OTYXRUKQSA-N -1 0 308.338 -0.473 20 0 DBADRM Cn1nnn(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1=O ZINC001601044733 1017800499 /nfs/dbraw/zinc/80/04/99/1017800499.db2.gz MHXWFFLLFHIKOT-NSHDSACASA-N -1 0 317.305 -0.985 20 0 DBADRM Cn1nncc1CC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001601043117 1017800504 /nfs/dbraw/zinc/80/05/04/1017800504.db2.gz OIUHCFBFIBYZCD-UHFFFAOYSA-N -1 0 317.305 -0.189 20 0 DBADRM Cn1nnnc1SCCC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001601046566 1017801722 /nfs/dbraw/zinc/80/17/22/1017801722.db2.gz NRVPPKFYNIZAOT-JTQLQIEISA-N -1 0 317.396 -0.231 20 0 DBADRM Cn1nnnc1CN1CCC(C)(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601046615 1017801801 /nfs/dbraw/zinc/80/18/01/1017801801.db2.gz OPFCHNLJILPMSJ-NXEZZACHSA-N -1 0 322.369 -0.599 20 0 DBADRM Cn1oc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cc1=O ZINC001601045904 1017801827 /nfs/dbraw/zinc/80/18/27/1017801827.db2.gz RURCTQJBSOJNEJ-BGZDPUMWSA-N -1 0 323.305 -0.924 20 0 DBADRM Cn1nnnc1CNC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CCCC1 ZINC001601047237 1017802121 /nfs/dbraw/zinc/80/21/21/1017802121.db2.gz ZXNCEJWKNKOFMN-VHSXEESVSA-N -1 0 322.369 -0.551 20 0 DBADRM Cn1nnnc1SCCC(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601046583 1017802195 /nfs/dbraw/zinc/80/21/95/1017802195.db2.gz NZFPPWXAVGXIMH-POYBYMJQSA-N -1 0 301.328 -0.949 20 0 DBADRM Cn1nnnc1SCCC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001601046567 1017802213 /nfs/dbraw/zinc/80/22/13/1017802213.db2.gz NRVPPKFYNIZAOT-SNVBAGLBSA-N -1 0 317.396 -0.231 20 0 DBADRM Cc1nocc1CN(C)C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001498442845 1017804223 /nfs/dbraw/zinc/80/42/23/1017804223.db2.gz ICVDXKGORIZSCJ-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM NC(=O)C(=O)NCC1(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCCCC1 ZINC001601136729 1017807907 /nfs/dbraw/zinc/80/79/07/1017807907.db2.gz DESUCMVRVQXTKX-BDAKNGLRSA-N -1 0 311.338 -0.872 20 0 DBADRM NC(=O)C(=O)N[C@]12CCC[C@H]1CN(c1ccnc(C(=O)[O-])n1)C2 ZINC001601137357 1017808551 /nfs/dbraw/zinc/80/85/51/1017808551.db2.gz OEBJVVWIWYEVMC-RTHLEPHNSA-N -1 0 319.321 -0.865 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2cc(C(=O)[O-])ccn2)CCCC1 ZINC001601138209 1017808680 /nfs/dbraw/zinc/80/86/80/1017808680.db2.gz DSSYFZSPNNGUQH-UHFFFAOYSA-N -1 0 313.335 -0.144 20 0 DBADRM NC(=O)[C@]1(NS(=O)(=O)CCCCCC(=O)[O-])CCOC1 ZINC001601138514 1017809004 /nfs/dbraw/zinc/80/90/04/1017809004.db2.gz JBDTXEFOJQRONS-NSHDSACASA-N -1 0 308.356 -0.805 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)CC1 ZINC001601138147 1017809136 /nfs/dbraw/zinc/80/91/36/1017809136.db2.gz AHZUMSOIBCQQPC-UHFFFAOYSA-N -1 0 320.273 -0.041 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC001601140321 1017809248 /nfs/dbraw/zinc/80/92/48/1017809248.db2.gz BRZLGTFNGJQGDP-UHFFFAOYSA-N -1 0 322.317 -0.398 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC001601140954 1017809838 /nfs/dbraw/zinc/80/98/38/1017809838.db2.gz MWCOVMZSCCCFCL-UHFFFAOYSA-N -1 0 306.318 -0.234 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601141780 1017809866 /nfs/dbraw/zinc/80/98/66/1017809866.db2.gz QLINYCQNCHYFRO-HHKYUTTNSA-N -1 0 316.379 -0.235 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001601141266 1017810017 /nfs/dbraw/zinc/81/00/17/1017810017.db2.gz JYVNUXCUIURIHD-ZETCQYMHSA-N -1 0 309.253 -0.116 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1 ZINC001601140672 1017810220 /nfs/dbraw/zinc/81/02/20/1017810220.db2.gz JEMJXAKDAOCPFB-VHSXEESVSA-N -1 0 314.338 -0.905 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601141782 1017810284 /nfs/dbraw/zinc/81/02/84/1017810284.db2.gz QLINYCQNCHYFRO-UVOCVTCTSA-N -1 0 316.379 -0.235 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001601142449 1017810289 /nfs/dbraw/zinc/81/02/89/1017810289.db2.gz YMEIWPCCBAUZHR-SECBINFHSA-N -1 0 305.290 -0.326 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)NCCCCCC(=O)[O-])C1 ZINC001601142434 1017810304 /nfs/dbraw/zinc/81/03/04/1017810304.db2.gz XYKDXJNKYSGEEQ-MRVPVSSYSA-N -1 0 300.315 -0.439 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])C1 ZINC001601142884 1017810323 /nfs/dbraw/zinc/81/03/23/1017810323.db2.gz UFRABVHWKVXLMX-VWYCJHECSA-N -1 0 308.338 -0.256 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1 ZINC001601142283 1017810510 /nfs/dbraw/zinc/81/05/10/1017810510.db2.gz XACISHAQJYPUHT-ZOZBQHSOSA-N -1 0 324.337 -0.585 20 0 DBADRM NC(=O)CC(=O)N1CC[C@H](CCNc2ccnc(C(=O)[O-])n2)C1 ZINC001601144944 1017810891 /nfs/dbraw/zinc/81/08/91/1017810891.db2.gz ADOVAGRKAALYHQ-VIFPVBQESA-N -1 0 321.337 -0.877 20 0 DBADRM NC(=O)[C@H]1CSCCN1Cc1noc(CCCC(=O)[O-])n1 ZINC001601145664 1017811014 /nfs/dbraw/zinc/81/10/14/1017811014.db2.gz ISMNENFNWVECPG-MRVPVSSYSA-N -1 0 314.367 -0.120 20 0 DBADRM NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001601146238 1017811203 /nfs/dbraw/zinc/81/12/03/1017811203.db2.gz PPNCUMXXFZDGGR-LURJTMIESA-N -1 0 320.348 -0.431 20 0 DBADRM NC(=O)C[C@@H](NC(=O)c1cc(C(=O)[O-])no1)C1CCOCC1 ZINC001601145117 1017811230 /nfs/dbraw/zinc/81/12/30/1017811230.db2.gz COTYANDLRPPNQU-MRVPVSSYSA-N -1 0 311.294 -0.227 20 0 DBADRM NC(=O)C1CN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])C1 ZINC001601145661 1017811250 /nfs/dbraw/zinc/81/12/50/1017811250.db2.gz IQLCCFDELRAXEC-UHFFFAOYSA-N -1 0 302.283 -0.370 20 0 DBADRM NC(=O)[C@H]1CN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)CCO1 ZINC001601145682 1017811325 /nfs/dbraw/zinc/81/13/25/1017811325.db2.gz IVSINOALNOJAGD-LLVKDONJSA-N -1 0 304.306 -0.053 20 0 DBADRM NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001601145852 1017811517 /nfs/dbraw/zinc/81/15/17/1017811517.db2.gz TVPYHGDXDJIPGX-RKDXNWHRSA-N -1 0 304.368 -0.043 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001601143935 1017811635 /nfs/dbraw/zinc/81/16/35/1017811635.db2.gz DPHBZNIUBAHNNW-NXEZZACHSA-N -1 0 313.354 -0.625 20 0 DBADRM NC(=O)C[C@@H]1CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC001601148038 1017811892 /nfs/dbraw/zinc/81/18/92/1017811892.db2.gz JKICRJZESVXKQT-BBBLOLIVSA-N -1 0 320.367 -0.854 20 0 DBADRM NC(=O)CCCNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001601148591 1017811987 /nfs/dbraw/zinc/81/19/87/1017811987.db2.gz GUIGRKAYARYDIP-UHFFFAOYSA-N -1 0 323.305 -0.530 20 0 DBADRM NC(=O)CC1(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC001601146426 1017812195 /nfs/dbraw/zinc/81/21/95/1017812195.db2.gz AAHIVSSOIDNXPF-UHFFFAOYSA-N -1 0 301.324 -0.353 20 0 DBADRM NC(=O)CC1(CNS(=O)(=O)CC2(C(=O)[O-])CCC2)CC1 ZINC001601147974 1017812528 /nfs/dbraw/zinc/81/25/28/1017812528.db2.gz VAYOCSMAZUMDKE-UHFFFAOYSA-N -1 0 304.368 -0.184 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)NCCc2ccc(C(=O)[O-])cc2)CCO1 ZINC001601147089 1017812800 /nfs/dbraw/zinc/81/28/00/1017812800.db2.gz YEBQFNAUGQCEDA-GFCCVEGCSA-N -1 0 321.333 -0.177 20 0 DBADRM NC(=O)CN(CC(N)=O)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001601150934 1017813123 /nfs/dbraw/zinc/81/31/23/1017813123.db2.gz MWBXUAAUJGYYJI-UHFFFAOYSA-N -1 0 313.697 -0.549 20 0 DBADRM NC(=O)COC1CCN(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001601152200 1017813570 /nfs/dbraw/zinc/81/35/70/1017813570.db2.gz LTKYNFMKXHFSEY-JTQLQIEISA-N -1 0 311.338 -0.164 20 0 DBADRM NC(=O)CN1CCC[C@H](NC(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001601150932 1017813601 /nfs/dbraw/zinc/81/36/01/1017813601.db2.gz MSHWUOOJBSLRTG-JTQLQIEISA-N -1 0 306.322 -0.541 20 0 DBADRM NC(=O)CSCC(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001601152017 1017813667 /nfs/dbraw/zinc/81/36/67/1017813667.db2.gz KSBXZAWUAAGNAE-SNVBAGLBSA-N -1 0 311.363 -0.340 20 0 DBADRM NC(=O)CCNC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001601150269 1017813671 /nfs/dbraw/zinc/81/36/71/1017813671.db2.gz OZTVMWXBFGYRFS-UHFFFAOYSA-N -1 0 322.321 -0.112 20 0 DBADRM NC(=O)COc1ccccc1C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001601151879 1017813819 /nfs/dbraw/zinc/81/38/19/1017813819.db2.gz IMXNTCYQXUWRDF-UWVGGRQHSA-N -1 0 322.317 -0.542 20 0 DBADRM NC(=O)COC1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC001601151416 1017814020 /nfs/dbraw/zinc/81/40/20/1017814020.db2.gz BBHKXOIXSZKKTR-UHFFFAOYSA-N -1 0 310.310 -0.926 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)OCCn2cc(C(=O)[O-])nn2)C1 ZINC001601154423 1017814182 /nfs/dbraw/zinc/81/41/82/1017814182.db2.gz HDHJZHPRXHUQDB-QMMMGPOBSA-N -1 0 311.298 -0.690 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)N[C@H](CC2OCCO2)C(=O)[O-])C1 ZINC001601154718 1017814237 /nfs/dbraw/zinc/81/42/37/1017814237.db2.gz UABMBMMMKXBNFY-RKDXNWHRSA-N -1 0 315.326 -0.891 20 0 DBADRM NC(=O)Cn1cc(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)cn1 ZINC001601154352 1017814409 /nfs/dbraw/zinc/81/44/09/1017814409.db2.gz CQBCOIVWJIWIDC-WCBMZHEXSA-N -1 0 310.310 -0.423 20 0 DBADRM NC(=O)N1CC[C@@H](CNS(=O)(=O)CCCCCC(=O)[O-])C1 ZINC001601154727 1017814421 /nfs/dbraw/zinc/81/44/21/1017814421.db2.gz UKSFUMGDMXSPKR-JTQLQIEISA-N -1 0 321.399 -0.049 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1 ZINC001601156261 1017814663 /nfs/dbraw/zinc/81/46/63/1017814663.db2.gz QUFHSXAJLDPBCT-NEPJUHHUSA-N -1 0 321.333 -0.095 20 0 DBADRM NC(=O)Cc1ccc(CNC(=O)Cn2cc(C(=O)[O-])cn2)cc1 ZINC001601153201 1017814679 /nfs/dbraw/zinc/81/46/79/1017814679.db2.gz MYHQICIXPMWHES-UHFFFAOYSA-N -1 0 316.317 -0.075 20 0 DBADRM NC(=O)Cc1occc1C(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001601153746 1017814819 /nfs/dbraw/zinc/81/48/19/1017814819.db2.gz VCNAMAPVPSIBOM-UHFFFAOYSA-N -1 0 318.289 -0.032 20 0 DBADRM NC(=O)N[C@@H](CC(=O)N1CC(O)(C(=O)[O-])C1)c1cccs1 ZINC001601155400 1017815093 /nfs/dbraw/zinc/81/50/93/1017815093.db2.gz IZPDJXIDKLPJAI-ZETCQYMHSA-N -1 0 313.335 -0.495 20 0 DBADRM NC(=O)NCCCCC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001601156498 1017815344 /nfs/dbraw/zinc/81/53/44/1017815344.db2.gz UEDAFXBKRDYAEH-VHSXEESVSA-N -1 0 301.343 -0.037 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)O1 ZINC001601157624 1017815355 /nfs/dbraw/zinc/81/53/55/1017815355.db2.gz YBYBEADVCGWPBN-VWYCJHECSA-N -1 0 314.338 -0.498 20 0 DBADRM NC(=O)NCCCCC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001601156496 1017815634 /nfs/dbraw/zinc/81/56/34/1017815634.db2.gz UEDAFXBKRDYAEH-NXEZZACHSA-N -1 0 301.343 -0.037 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])O1 ZINC001601157239 1017815846 /nfs/dbraw/zinc/81/58/46/1017815846.db2.gz RYXQGBRRBWZWGQ-CHWFTXMASA-N -1 0 314.338 -0.595 20 0 DBADRM NC(=O)N[C@@H](CC(=O)NC[C@@H](O)CC(=O)[O-])c1cccs1 ZINC001601158819 1017815849 /nfs/dbraw/zinc/81/58/49/1017815849.db2.gz VXYPXDVFHGIWPF-YUMQZZPRSA-N -1 0 315.351 -0.201 20 0 DBADRM NC(=O)NCCCCC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001601156499 1017815940 /nfs/dbraw/zinc/81/59/40/1017815940.db2.gz UEDAFXBKRDYAEH-ZJUUUORDSA-N -1 0 301.343 -0.037 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)O1 ZINC001601156924 1017816120 /nfs/dbraw/zinc/81/61/20/1017816120.db2.gz JSZCLCJGAAVBAA-BKDNQFJXSA-N -1 0 322.321 -0.435 20 0 DBADRM NC(=O)N[C@@H](CO)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001601157428 1017816197 /nfs/dbraw/zinc/81/61/97/1017816197.db2.gz CSSMRZVXHFFACG-QWRGUYRKSA-N -1 0 309.322 -0.782 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])c1 ZINC001601163137 1017816371 /nfs/dbraw/zinc/81/63/71/1017816371.db2.gz BFDOMEFYZFOKQA-SECBINFHSA-N -1 0 308.319 -0.004 20 0 DBADRM NC(=O)c1cc(CNC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)on1 ZINC001601160905 1017816628 /nfs/dbraw/zinc/81/66/28/1017816628.db2.gz QGDYTLXWFCWDPK-HHSDFAELSA-N -1 0 308.294 -0.174 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])o1 ZINC001601163120 1017816750 /nfs/dbraw/zinc/81/67/50/1017816750.db2.gz GFWDXPNIPSVFTF-ZETCQYMHSA-N -1 0 309.278 -0.816 20 0 DBADRM NC(=O)c1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001601162759 1017816825 /nfs/dbraw/zinc/81/68/25/1017816825.db2.gz LRBMXFBLGOMMBQ-HTQZYQBOSA-N -1 0 321.289 -0.960 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)C(=O)Nc2ccsc2C(=O)[O-])C1 ZINC001601160598 1017816997 /nfs/dbraw/zinc/81/69/97/1017816997.db2.gz SWAFWIQFUYATRQ-IZLXSQMJSA-N -1 0 311.319 -0.235 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC001601160358 1017817271 /nfs/dbraw/zinc/81/72/71/1017817271.db2.gz LKTCWAMADULBRC-KBTIHESUSA-N -1 0 311.319 -0.235 20 0 DBADRM NC(=O)c1ccc(CC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC001601163649 1017817283 /nfs/dbraw/zinc/81/72/83/1017817283.db2.gz CPVQNHKMUXYUSZ-LBPRGKRZSA-N -1 0 316.317 -0.137 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)s1 ZINC001601163889 1017817698 /nfs/dbraw/zinc/81/76/98/1017817698.db2.gz WSNHFTYDKMRSEE-UHFFFAOYSA-N -1 0 321.318 -0.166 20 0 DBADRM NC(=O)c1ccc(/C=C\C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])o1 ZINC001601164482 1017817761 /nfs/dbraw/zinc/81/77/61/1017817761.db2.gz FULLRBKNHDYNFO-MDHMXLOGSA-N -1 0 324.289 -0.276 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1 ZINC001601168854 1017817786 /nfs/dbraw/zinc/81/77/86/1017817786.db2.gz HFEVMZNLERCWIS-VHSXEESVSA-N -1 0 314.319 -0.694 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001601164634 1017817900 /nfs/dbraw/zinc/81/79/00/1017817900.db2.gz QZRFCWNKVCQONY-CMPLNLGQSA-N -1 0 307.306 -0.841 20 0 DBADRM NC(=O)c1cc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c[nH]1 ZINC001601164317 1017817935 /nfs/dbraw/zinc/81/79/35/1017817935.db2.gz XRYPFDLSRGZQDH-CYBMUJFWSA-N -1 0 306.278 -0.441 20 0 DBADRM NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])o1 ZINC001601165494 1017818010 /nfs/dbraw/zinc/81/80/10/1017818010.db2.gz YRGBIDHIFVCEKF-GGJFTPGKSA-N -1 0 308.290 -0.172 20 0 DBADRM NC(=O)c1cccc(NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)n1 ZINC001601168491 1017818260 /nfs/dbraw/zinc/81/82/60/1017818260.db2.gz YFTNXEIZDFVKJF-LLVKDONJSA-N -1 0 322.321 -0.130 20 0 DBADRM NC(=O)c1ccc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1F ZINC001601166509 1017818441 /nfs/dbraw/zinc/81/84/41/1017818441.db2.gz MVEZZMUPJMPVNF-ZDUSSCGKSA-N -1 0 311.269 -0.022 20 0 DBADRM NC(=O)c1nccnc1C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001601172742 1017818733 /nfs/dbraw/zinc/81/87/33/1017818733.db2.gz ZSBJNQWQUXQGEQ-BYPYZUCNSA-N -1 0 306.200 -0.289 20 0 DBADRM NC(=O)c1ncn(CC(=O)N[C@H](C(=O)[O-])c2ccsc2)n1 ZINC001601173034 1017818815 /nfs/dbraw/zinc/81/88/15/1017818815.db2.gz FPPDHRAZLQEDDZ-QMMMGPOBSA-N -1 0 309.307 -0.619 20 0 DBADRM NC(=O)c1cn(CCCCNc2ccc(C(=O)[O-])nn2)nn1 ZINC001601170408 1017819320 /nfs/dbraw/zinc/81/93/20/1017819320.db2.gz VUFRHHHOYBBYRO-UHFFFAOYSA-N -1 0 305.298 -0.243 20 0 DBADRM NC(=O)c1ncn(CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)n1 ZINC001601173093 1017819375 /nfs/dbraw/zinc/81/93/75/1017819375.db2.gz HPLQJOYOQMJNDA-UHFFFAOYSA-N -1 0 307.241 -0.147 20 0 DBADRM NC(=O)c1nccnc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001601172729 1017819646 /nfs/dbraw/zinc/81/96/46/1017819646.db2.gz ZCDDEKRAUZWBQL-QMMMGPOBSA-N -1 0 304.306 -0.098 20 0 DBADRM NC(COC[C@@H]1CCCO1)=NOCc1cn(CC(=O)[O-])nn1 ZINC001601175901 1017819875 /nfs/dbraw/zinc/81/98/75/1017819875.db2.gz CYJDLTWRBWHUAQ-JTQLQIEISA-N -1 0 313.314 -0.443 20 0 DBADRM NC(=O)c1ncn(C2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)c1N ZINC001601173793 1017819988 /nfs/dbraw/zinc/81/99/88/1017819988.db2.gz OHSFYWBUSOMGMH-UHFFFAOYSA-N -1 0 321.337 -0.408 20 0 DBADRM N=C1NC(=O)C(CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])S1 ZINC001601178471 1017819993 /nfs/dbraw/zinc/81/99/93/1017819993.db2.gz OXSYARPKZPPZFP-ATRFCDNQSA-N -1 0 301.324 -0.851 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)S1 ZINC001601178437 1017820238 /nfs/dbraw/zinc/82/02/38/1017820238.db2.gz NULAENOVWMFCKJ-APPZFPTMSA-N -1 0 315.351 -0.773 20 0 DBADRM NCC(F)(F)CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001601181826 1017821109 /nfs/dbraw/zinc/82/11/09/1017821109.db2.gz GDYZXAUCSUHVQG-UHFFFAOYSA-N -1 0 301.296 -0.286 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001601192715 1017822340 /nfs/dbraw/zinc/82/23/40/1017822340.db2.gz UURIXVWROSEIGK-RKWZHAFESA-N -1 0 302.352 -0.479 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC001601192706 1017822401 /nfs/dbraw/zinc/82/24/01/1017822401.db2.gz UNVLHUWNXYAYBJ-UHFFFAOYSA-N -1 0 312.347 -0.135 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)c2cccc(C(=O)[O-])n2)CCC1 ZINC001601191809 1017822456 /nfs/dbraw/zinc/82/24/56/1017822456.db2.gz CAMPPLWZJWZIOK-UHFFFAOYSA-N -1 0 313.335 -0.279 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cn2)C1 ZINC001601192649 1017822521 /nfs/dbraw/zinc/82/25/21/1017822521.db2.gz RPLGIZIFRQWOID-QMMMGPOBSA-N -1 0 314.323 -0.326 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)Cc2ccc(C(=O)[O-])nc2)CC1 ZINC001601192339 1017822739 /nfs/dbraw/zinc/82/27/39/1017822739.db2.gz KXAPOPPAFNBJIE-UHFFFAOYSA-N -1 0 313.335 -0.740 20 0 DBADRM NS(=O)(=O)C1(C(=O)OCc2cccc(C(=O)[O-])n2)CC1 ZINC001601192091 1017822814 /nfs/dbraw/zinc/82/28/14/1017822814.db2.gz HRKFUXTVTAKOIX-UHFFFAOYSA-N -1 0 300.292 -0.356 20 0 DBADRM NS(=O)(=O)C1(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC001601192707 1017823038 /nfs/dbraw/zinc/82/30/38/1017823038.db2.gz UNVZCRLOAICERN-JTQLQIEISA-N -1 0 312.347 -0.380 20 0 DBADRM NS(=O)(=O)CCOCCNC(=O)c1ccc(C(=O)[O-])o1 ZINC001601194141 1017823574 /nfs/dbraw/zinc/82/35/74/1017823574.db2.gz VCQPLRMQYJGLFI-UHFFFAOYSA-N -1 0 306.296 -0.987 20 0 DBADRM NS(=O)(=O)CCCC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001601193298 1017823885 /nfs/dbraw/zinc/82/38/85/1017823885.db2.gz UFLRVBGFADRKBM-ZCFIWIBFSA-N -1 0 300.283 -0.624 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)c2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC001601192930 1017823927 /nfs/dbraw/zinc/82/39/27/1017823927.db2.gz YEYWQHFNHBSTKT-DUXPYHPUSA-N -1 0 314.319 -0.072 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCC1 ZINC001601193012 1017824003 /nfs/dbraw/zinc/82/40/03/1017824003.db2.gz YPVNRXUPPVIOIF-BDAKNGLRSA-N -1 0 319.383 -0.250 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@@H]2C(=O)[O-])ccc1F ZINC001601196030 1017824253 /nfs/dbraw/zinc/82/42/53/1017824253.db2.gz LHXLZZREQFJHHO-MRVPVSSYSA-N -1 0 302.283 -0.228 20 0 DBADRM NS(=O)(=O)N1CCN(Cc2nc(C(=O)[O-])cs2)CC1 ZINC001601195820 1017824305 /nfs/dbraw/zinc/82/43/05/1017824305.db2.gz ZOIKIHNNOCCNNK-UHFFFAOYSA-N -1 0 306.369 -0.838 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NCCSCCC(=O)[O-])co1 ZINC001601196053 1017824396 /nfs/dbraw/zinc/82/43/96/1017824396.db2.gz MAYDGMGMJBMNRQ-UHFFFAOYSA-N -1 0 322.364 -0.135 20 0 DBADRM NS(=O)(=O)c1cc(CN2CCOC[C@H]2CC(=O)[O-])co1 ZINC001601196474 1017824579 /nfs/dbraw/zinc/82/45/79/1017824579.db2.gz LGEKCLSUYKHQOY-SECBINFHSA-N -1 0 304.324 -0.398 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCSC2)co1 ZINC001601196127 1017824645 /nfs/dbraw/zinc/82/46/45/1017824645.db2.gz OZJUNFIXMYYPSC-SNVBAGLBSA-N -1 0 320.348 -0.383 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NOCCCC(=O)[O-])cn1 ZINC001601196730 1017825014 /nfs/dbraw/zinc/82/50/14/1017825014.db2.gz KLIFMMLQRNAPMG-UHFFFAOYSA-N -1 0 303.296 -0.745 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H](CC2CC2)C(=O)[O-])co1 ZINC001601196199 1017825136 /nfs/dbraw/zinc/82/51/36/1017825136.db2.gz SKNLJZDTWUQBRV-MRVPVSSYSA-N -1 0 302.308 -0.090 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001601248198 1017830223 /nfs/dbraw/zinc/83/02/23/1017830223.db2.gz JNNSKPKCIINBFY-IQJOONFLSA-N -1 0 303.336 -0.459 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)NC[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC001601197553 1017825937 /nfs/dbraw/zinc/82/59/37/1017825937.db2.gz YPXDIXJBFHNNEA-MWLCHTKSSA-N -1 0 312.347 -0.287 20 0 DBADRM NS(=O)(=O)c1cccc(CN2CCOC[C@H]2C(=O)[O-])c1 ZINC001601200013 1017826061 /nfs/dbraw/zinc/82/60/61/1017826061.db2.gz YNVOPKMDGPAWLP-NSHDSACASA-N -1 0 300.336 -0.381 20 0 DBADRM Nc1n[nH]c(CCNC(=O)c2cccc(OCC(=O)[O-])c2)n1 ZINC001601218922 1017826744 /nfs/dbraw/zinc/82/67/44/1017826744.db2.gz SBSGTOPNXNMZJB-UHFFFAOYSA-N -1 0 305.294 -0.177 20 0 DBADRM Nc1cc(F)c(F)cc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001601213161 1017826821 /nfs/dbraw/zinc/82/68/21/1017826821.db2.gz GNYWQCQKTIOFCH-JTQLQIEISA-N -1 0 313.260 -0.038 20 0 DBADRM Nc1ccccc1S(=O)(=O)NCC(=O)NC[C@H](F)C(=O)[O-] ZINC001601217810 1017827188 /nfs/dbraw/zinc/82/71/88/1017827188.db2.gz BHLHQCPGKDVBLR-ZETCQYMHSA-N -1 0 319.314 -0.914 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001601222440 1017827857 /nfs/dbraw/zinc/82/78/57/1017827857.db2.gz YOVJJERXINBHMF-MRVPVSSYSA-N -1 0 304.310 -0.268 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](CO)C1)C2 ZINC001601223718 1017828006 /nfs/dbraw/zinc/82/80/06/1017828006.db2.gz IGBXWXSSHRTMCW-ZETOZRRWSA-N -1 0 310.350 -0.460 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001601222331 1017828077 /nfs/dbraw/zinc/82/80/77/1017828077.db2.gz SJUPBAGKIVXPOD-QMMMGPOBSA-N -1 0 320.309 -0.889 20 0 DBADRM Nc1nnn(CC(=O)N(CCC(=O)[O-])Cc2ccccc2)n1 ZINC001601223539 1017828152 /nfs/dbraw/zinc/82/81/52/1017828152.db2.gz GOFVGVSNAUDDIP-UHFFFAOYSA-N -1 0 304.310 -0.241 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001601221830 1017828347 /nfs/dbraw/zinc/82/83/47/1017828347.db2.gz BMRDFJSMEACFPC-YUMQZZPRSA-N -1 0 322.300 -0.178 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)[C@H]1CNCCS1(=O)=O)C2 ZINC001601228748 1017829297 /nfs/dbraw/zinc/82/92/97/1017829297.db2.gz IOIUUUMJCRRHBO-CWSCBRNRSA-N -1 0 316.379 -0.914 20 0 DBADRM O=C(/C=C/c1cc(C(=O)[O-])co1)NCCN1CCNC(=O)C1 ZINC001601232765 1017829354 /nfs/dbraw/zinc/82/93/54/1017829354.db2.gz HZADOYVLPRGRIL-OWOJBTEDSA-N -1 0 307.306 -0.461 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C1 ZINC001601227572 1017829462 /nfs/dbraw/zinc/82/94/62/1017829462.db2.gz JSTMACKSAVHMFK-RDDDGLTNSA-N -1 0 324.255 -0.412 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)[C@@H]3C[C@@]34CCOC4)CC2)CCOC1 ZINC001601227075 1017829542 /nfs/dbraw/zinc/82/95/42/1017829542.db2.gz KCGIFSLCKDCYKH-APHBMKBZSA-N -1 0 324.377 -0.199 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)C=C2CCC2)n1 ZINC001601229252 1017829712 /nfs/dbraw/zinc/82/97/12/1017829712.db2.gz YHKBLKAKNHDHHA-SNVBAGLBSA-N -1 0 306.322 -0.404 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N2CC[C@H](C3CCCC3)C2)C1 ZINC001601225961 1017829769 /nfs/dbraw/zinc/82/97/69/1017829769.db2.gz SAKCGAXVZHYJKI-NSHDSACASA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCN(C(=O)C3CC3)C2)CCC1 ZINC001601227062 1017829848 /nfs/dbraw/zinc/82/98/48/1017829848.db2.gz JPWBPQFVXVLUTA-UHFFFAOYSA-N -1 0 302.352 -0.165 20 0 DBADRM O=C([O-])c1cnc(NCCNC(=O)C[C@H]2COC(=O)C2)nc1 ZINC001601256520 1017830236 /nfs/dbraw/zinc/83/02/36/1017830236.db2.gz IIWPJXUFEUHBEZ-MRVPVSSYSA-N -1 0 308.294 -0.344 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)C[C@@H]2CCOC2)nc1 ZINC001601256402 1017830348 /nfs/dbraw/zinc/83/03/48/1017830348.db2.gz NAIPVBWXGHAFPO-ONGXEEELSA-N -1 0 324.337 -0.510 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 ZINC001601246788 1017830377 /nfs/dbraw/zinc/83/03/77/1017830377.db2.gz CXKAWQJWPCZWSR-YFVNTRNASA-N -1 0 322.361 -0.415 20 0 DBADRM O=C([O-])c1coc(CNC(=O)CCCN2C(=O)CNC2=O)c1 ZINC001601267961 1017831223 /nfs/dbraw/zinc/83/12/23/1017831223.db2.gz KBSKWZVOWXOXLP-UHFFFAOYSA-N -1 0 309.278 -0.074 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)CCCNC(=O)C1CC1 ZINC001601267941 1017831690 /nfs/dbraw/zinc/83/16/90/1017831690.db2.gz JAXKRKIBDDWEBF-NSHDSACASA-N -1 0 308.338 -0.241 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001601275160 1017831717 /nfs/dbraw/zinc/83/17/17/1017831717.db2.gz OKKWHKJNLNTIKM-GFCCVEGCSA-N -1 0 320.367 -0.981 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)CCCCN2CCOCC2)C1 ZINC001601264131 1017832107 /nfs/dbraw/zinc/83/21/07/1017832107.db2.gz KCBXGHVNTJGEDH-CQSZACIVSA-N -1 0 300.355 -0.463 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NOCCN1CCCC1=O ZINC001601285000 1017832343 /nfs/dbraw/zinc/83/23/43/1017832343.db2.gz LWTPJAWALWERSG-WDEREUQCSA-N -1 0 314.338 -0.074 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC001601278425 1017832526 /nfs/dbraw/zinc/83/25/26/1017832526.db2.gz BLXOXZNAMMCUTA-ZETCQYMHSA-N -1 0 324.355 -0.045 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CCN2CSCCSC2)C1 ZINC001601278293 1017832649 /nfs/dbraw/zinc/83/26/49/1017832649.db2.gz JJFWVNFNVXNZRZ-UHFFFAOYSA-N -1 0 306.409 -0.269 20 0 DBADRM O=C(CCN1CCOC1=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC001601276365 1017832970 /nfs/dbraw/zinc/83/29/70/1017832970.db2.gz AZFFSJWYLBLHEM-NSHDSACASA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])C1(NC(=O)CCc2ccon2)CCS(=O)(=O)CC1 ZINC001601292361 1017832985 /nfs/dbraw/zinc/83/29/85/1017832985.db2.gz APEFFUKLRRPJGJ-UHFFFAOYSA-N -1 0 316.335 -0.245 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)CCc1cn[nH]n1 ZINC001601286689 1017833183 /nfs/dbraw/zinc/83/31/83/1017833183.db2.gz JXBDDTSMZWVOEL-COUIAZAYSA-N -1 0 321.337 -0.753 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CCn1cnccc1=O)[C@H]1CCOC1 ZINC001601300536 1017833579 /nfs/dbraw/zinc/83/35/79/1017833579.db2.gz GTIUQIIFTNKWFP-WDEREUQCSA-N -1 0 309.322 -0.513 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC001601294182 1017833830 /nfs/dbraw/zinc/83/38/30/1017833830.db2.gz BFLZPVZBFQQJFR-JTQLQIEISA-N -1 0 305.290 -0.170 20 0 DBADRM O=C([O-])c1cc(CNC(=O)CCn2cc[nH]c(=O)c2=O)ccn1 ZINC001601301061 1017833836 /nfs/dbraw/zinc/83/38/36/1017833836.db2.gz YOPVMBHSLKDORK-UHFFFAOYSA-N -1 0 318.289 -0.664 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CCn1cnccc1=O)[C@H]1CCOC1 ZINC001601300535 1017833949 /nfs/dbraw/zinc/83/39/49/1017833949.db2.gz GTIUQIIFTNKWFP-QWRGUYRKSA-N -1 0 309.322 -0.513 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)NCCCN1C(=O)CCC1=O ZINC001601298614 1017834275 /nfs/dbraw/zinc/83/42/75/1017834275.db2.gz XFVWWRXVMNVMGC-UHFFFAOYSA-N -1 0 323.305 -0.039 20 0 DBADRM O=C(CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CC1)NC1CC1 ZINC001601301645 1017834650 /nfs/dbraw/zinc/83/46/50/1017834650.db2.gz UOXCXOMOASHRRH-RYUDHWBXSA-N -1 0 309.366 -0.434 20 0 DBADRM O=C([O-])C1(O)CCN(CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC001601303837 1017834695 /nfs/dbraw/zinc/83/46/95/1017834695.db2.gz HCQBEOXAAIMQIB-LBPRGKRZSA-N -1 0 312.366 -0.465 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001601301944 1017835087 /nfs/dbraw/zinc/83/50/87/1017835087.db2.gz RGZCIIFKJDZIJW-TVWIJHCHSA-N -1 0 306.318 -0.083 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CC[C@H](O)[C@@H](CO)C2)c1 ZINC001601303736 1017835108 /nfs/dbraw/zinc/83/51/08/1017835108.db2.gz DQFKARLTNBVNKV-YPMHNXCESA-N -1 0 308.334 -0.002 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CC(=O)N(C3CC3)C2)n1 ZINC001601306214 1017835196 /nfs/dbraw/zinc/83/51/96/1017835196.db2.gz PURICBJELSMSJH-UHFFFAOYSA-N -1 0 304.306 -0.018 20 0 DBADRM O=C([O-])c1cnc(CCNC(=O)CN2C(=O)CCC2=O)s1 ZINC001601302336 1017835228 /nfs/dbraw/zinc/83/52/28/1017835228.db2.gz FBDGSOWYALPEAE-UHFFFAOYSA-N -1 0 311.319 -0.351 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)CN1C(=O)CCc2ccccc21 ZINC001601302733 1017835284 /nfs/dbraw/zinc/83/52/84/1017835284.db2.gz YOZUKTJWVCMJHH-LBPRGKRZSA-N -1 0 306.318 -0.082 20 0 DBADRM O=C([O-])[C@H](Cc1cncs1)NC(=O)CN1C(=O)CCC1=O ZINC001601303495 1017835423 /nfs/dbraw/zinc/83/54/23/1017835423.db2.gz SIKZJPNEXZGJKT-QMMMGPOBSA-N -1 0 311.319 -0.596 20 0 DBADRM O=C(CN1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1)NCC1CC1 ZINC001601306473 1017835827 /nfs/dbraw/zinc/83/58/27/1017835827.db2.gz QLSLEDPWPJQCQK-RYUDHWBXSA-N -1 0 309.366 -0.719 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@@H](CO)CC(F)F)C1=O ZINC001601308240 1017836464 /nfs/dbraw/zinc/83/64/64/1017836464.db2.gz KEHYRVXOQMZOEQ-HTQZYQBOSA-N -1 0 308.281 -0.558 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(CC(=O)NCC(F)(F)F)C2)C1 ZINC001601308876 1017836574 /nfs/dbraw/zinc/83/65/74/1017836574.db2.gz YTGJONQFYOQCOE-SNVBAGLBSA-N -1 0 309.244 -0.030 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN1CC(=O)NCC(=O)c1ccccc1 ZINC001601306900 1017836658 /nfs/dbraw/zinc/83/66/58/1017836658.db2.gz UKNNPEKGCQHIJO-NWDGAFQWSA-N -1 0 306.318 -0.495 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H](CO)CC(F)F)C1=O ZINC001601308243 1017836707 /nfs/dbraw/zinc/83/67/07/1017836707.db2.gz KEHYRVXOQMZOEQ-YUMQZZPRSA-N -1 0 308.281 -0.558 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)Nc2nc3cnccn3n2)C1=O ZINC001601312295 1017836974 /nfs/dbraw/zinc/83/69/74/1017836974.db2.gz NKKSYECJQLKZFA-QMMMGPOBSA-N -1 0 318.293 -0.614 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1CC(=O)NCC(=O)c1ccccc1 ZINC001601310642 1017837061 /nfs/dbraw/zinc/83/70/61/1017837061.db2.gz QICUCHXOJXITDH-DOMZBBRYSA-N -1 0 320.345 -0.105 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CN1CCCNC1=O)Cc1ccncc1 ZINC001601315475 1017837343 /nfs/dbraw/zinc/83/73/43/1017837343.db2.gz LBFYSDLRRQTSLE-GFCCVEGCSA-N -1 0 320.349 -0.144 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2C[C@H](CO)[C@H](CO)C2)c1 ZINC001601318272 1017838592 /nfs/dbraw/zinc/83/85/92/1017838592.db2.gz SAILGYLIDBJTCR-TXEJJXNPSA-N -1 0 308.334 -0.144 20 0 DBADRM O=C(CN1CCOCC1)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC001601317125 1017838811 /nfs/dbraw/zinc/83/88/11/1017838811.db2.gz WPRLCWVOJFSJBD-LBPRGKRZSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C(CNC(=O)N1CCCC1)N[C@H](C(=O)[O-])C1CCOCC1 ZINC001601321497 1017839565 /nfs/dbraw/zinc/83/95/65/1017839565.db2.gz CSKMEEBBVWVLQS-LBPRGKRZSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])C1(NC(=O)CN2Cc3ccccc3C2=O)CC(CO)C1 ZINC001601319586 1017839709 /nfs/dbraw/zinc/83/97/09/1017839709.db2.gz UBDXIFHRGNGWJK-UHFFFAOYSA-N -1 0 318.329 -0.016 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)CNC(=O)c2ccncc2)CCOC1 ZINC001601323121 1017840017 /nfs/dbraw/zinc/84/00/17/1017840017.db2.gz PBZSZPDIOXLVNM-CQSZACIVSA-N -1 0 307.306 -0.581 20 0 DBADRM O=C(COC1CCOCC1)NCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001601336331 1017840387 /nfs/dbraw/zinc/84/03/87/1017840387.db2.gz AMWMMFUKVQNSJE-WDEREUQCSA-N -1 0 314.338 -0.865 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)CNS(=O)(=O)c1ccccc1F ZINC001601327542 1017840753 /nfs/dbraw/zinc/84/07/53/1017840753.db2.gz PMOWTYOGUVORTG-MRVPVSSYSA-N -1 0 322.289 -0.357 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CCNC(=O)CO)Cc2ccccc21 ZINC001601330347 1017840936 /nfs/dbraw/zinc/84/09/36/1017840936.db2.gz TZWFRHDKACNZOM-GFCCVEGCSA-N -1 0 306.318 -0.304 20 0 DBADRM O=C(Cc1ccc(O)cc1)NCC(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001601361491 1017841354 /nfs/dbraw/zinc/84/13/54/1017841354.db2.gz LVHRTAJQOKMXMX-WGRBQBNCSA-N -1 0 322.317 -0.855 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC001601355833 1017841596 /nfs/dbraw/zinc/84/15/96/1017841596.db2.gz IACKVXLUDVNEGO-AWEZNQCLSA-N -1 0 317.305 -0.747 20 0 DBADRM CC[C@H](C)CC(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001498633234 1017841575 /nfs/dbraw/zinc/84/15/75/1017841575.db2.gz YNMMLJUHVGOUKV-QMMMGPOBSA-N -1 0 323.353 -0.093 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CSCC(=O)N1CCCCC1 ZINC001601347863 1017842012 /nfs/dbraw/zinc/84/20/12/1017842012.db2.gz BELLLXBZFZYJDG-VIFPVBQESA-N -1 0 304.368 -0.706 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001601346317 1017842091 /nfs/dbraw/zinc/84/20/91/1017842091.db2.gz WCEBGVWHAUNMDZ-WPRPVWTQSA-N -1 0 305.352 -0.583 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CSc1nnnn1C1CCCC1 ZINC001601352284 1017842116 /nfs/dbraw/zinc/84/21/16/1017842116.db2.gz OFFVBEIKCPSMTO-QMMMGPOBSA-N -1 0 315.355 -0.558 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc[nH]1 ZINC001601362928 1017842395 /nfs/dbraw/zinc/84/23/95/1017842395.db2.gz IAMZMQLALUKDBJ-SVPLCASGSA-N -1 0 317.345 -0.149 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)Cc2ccc[nH]2)n1 ZINC001601362841 1017842483 /nfs/dbraw/zinc/84/24/83/1017842483.db2.gz CQWMIHJIQPZTAY-JTQLQIEISA-N -1 0 319.321 -0.944 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CCNC(=O)Cc1c[nH]cn1)C1CC1 ZINC001601372326 1017842642 /nfs/dbraw/zinc/84/26/42/1017842642.db2.gz MWTREVWHUFIVPQ-NWDGAFQWSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)Cc3c[nH]cn3)C2)n1 ZINC001601372303 1017842784 /nfs/dbraw/zinc/84/27/84/1017842784.db2.gz LQWPXUSRULVANQ-VIFPVBQESA-N -1 0 316.321 -0.165 20 0 DBADRM O=C([O-])c1cccc(CC(=O)NCC(=O)N2CCOCC2)c1 ZINC001601363574 1017843030 /nfs/dbraw/zinc/84/30/30/1017843030.db2.gz GNQNFPZUVZFBKF-UHFFFAOYSA-N -1 0 306.318 -0.098 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)CNC(=O)Cc1ccccc1 ZINC001601367731 1017843035 /nfs/dbraw/zinc/84/30/35/1017843035.db2.gz BPDMDVSLOMOVHK-VXGBXAGGSA-N -1 0 306.318 -0.608 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)Cc2ccoc2)nc1 ZINC001601371201 1017843231 /nfs/dbraw/zinc/84/32/31/1017843231.db2.gz CVNGBGPXDPMHFA-LLVKDONJSA-N -1 0 320.305 -0.101 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)Cc2ccc[nH]2)nc1 ZINC001601363030 1017843341 /nfs/dbraw/zinc/84/33/41/1017843341.db2.gz MJRDMXLHXKCRLK-LLVKDONJSA-N -1 0 319.321 -0.365 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)Cc1nc2ncccn2n1)[C@H]1CCOC1 ZINC001601375983 1017843630 /nfs/dbraw/zinc/84/36/30/1017843630.db2.gz HTXIKSXBKNDCLN-UWVGGRQHSA-N -1 0 319.321 -0.480 20 0 DBADRM O=C([O-])c1nccc(NC/C=C\CNC(=O)Cc2ncc[nH]2)n1 ZINC001601376156 1017843652 /nfs/dbraw/zinc/84/36/52/1017843652.db2.gz LJROMJPFBBBANW-UPHRSURJSA-N -1 0 316.321 -0.353 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)Cc1csc(N2CCCC2=O)n1 ZINC001601374897 1017843674 /nfs/dbraw/zinc/84/36/74/1017843674.db2.gz XWNJGDUPHPDOPG-QMMMGPOBSA-N -1 0 313.335 -0.626 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)Cc2cscn2)C1 ZINC001601374858 1017843690 /nfs/dbraw/zinc/84/36/90/1017843690.db2.gz BKHBFLQSHPDUGV-MNOVXSKESA-N -1 0 323.374 -0.019 20 0 DBADRM O=C(Cc1nnc(C2CCOCC2)[nH]1)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601377228 1017843734 /nfs/dbraw/zinc/84/37/34/1017843734.db2.gz MXZKTAQQPWUURI-JOYOIKCWSA-N -1 0 324.337 -0.401 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)Cc2cnoc2)n1 ZINC001601373615 1017843955 /nfs/dbraw/zinc/84/39/55/1017843955.db2.gz DPBAVMJXHAWLTG-UHFFFAOYSA-N -1 0 305.294 -0.254 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)C1 ZINC001601374934 1017844433 /nfs/dbraw/zinc/84/44/33/1017844433.db2.gz DQFPIVFJIANMNG-HNNXBMFYSA-N -1 0 317.301 -0.074 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCc2cc3n(n2)CCCO3)nn1 ZINC001601382704 1017844729 /nfs/dbraw/zinc/84/47/29/1017844729.db2.gz BSOVYYOEAXYWPW-UHFFFAOYSA-N -1 0 306.282 -0.728 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCN3C[C@@H](F)C[C@H]3C2)CC1 ZINC001601711244 1017867556 /nfs/dbraw/zinc/86/75/56/1017867556.db2.gz HRGGIYCWOWUKBV-UWVGGRQHSA-N -1 0 306.359 -0.091 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCCN2C(=O)CCCC2=O)n1 ZINC001601384972 1017844806 /nfs/dbraw/zinc/84/48/06/1017844806.db2.gz PFMQJQPIJYNXFB-UHFFFAOYSA-N -1 0 308.294 -0.763 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNC(=O)Cn1cc(C2CC2)cn1 ZINC001601383420 1017845355 /nfs/dbraw/zinc/84/53/55/1017845355.db2.gz GXDXOPDUIJRLFE-VXGBXAGGSA-N -1 0 320.349 -0.286 20 0 DBADRM O=C([O-])c1cnc(Nc2cnn(CC(=O)NCCO)c2)nc1 ZINC001601383192 1017845131 /nfs/dbraw/zinc/84/51/31/1017845131.db2.gz KTMUGQHRWWBHMQ-UHFFFAOYSA-N -1 0 306.282 -0.777 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCc2cc3n(n2)CCCC3)nn1 ZINC001601382948 1017845474 /nfs/dbraw/zinc/84/54/74/1017845474.db2.gz VYAFYMSXMQQWAR-UHFFFAOYSA-N -1 0 304.310 -0.175 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NC[C@@H](CO)[C@H]2CCOC2)c1=O ZINC001601388761 1017845810 /nfs/dbraw/zinc/84/58/10/1017845810.db2.gz RZCCCVUTPBJAKL-QWRGUYRKSA-N -1 0 324.333 -0.692 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N[C@H](CO)C(F)(F)F)c1=O ZINC001601387339 1017845977 /nfs/dbraw/zinc/84/59/77/1017845977.db2.gz BCPFFGMJULQGNK-SSDOTTSWSA-N -1 0 308.212 -0.414 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1=O ZINC001601387458 1017846127 /nfs/dbraw/zinc/84/61/27/1017846127.db2.gz HUTDAIYJIMVGQC-OQEOFVATSA-N -1 0 304.302 -0.162 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)Cn2cccn2)C1 ZINC001601389390 1017846291 /nfs/dbraw/zinc/84/62/91/1017846291.db2.gz NJEPXTSZZZXLBR-KXNHARMFSA-N -1 0 320.349 -0.385 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N[C@@H](CCO)C(F)(F)F)c1=O ZINC001601386356 1017846429 /nfs/dbraw/zinc/84/64/29/1017846429.db2.gz CSVUBAQNPSFANA-QMMMGPOBSA-N -1 0 322.239 -0.024 20 0 DBADRM O=C([O-])c1cccn(CC(=O)OCCN2CCOCC2)c1=O ZINC001601388517 1017846585 /nfs/dbraw/zinc/84/65/85/1017846585.db2.gz QDJKSDGINKPLSY-UHFFFAOYSA-N -1 0 310.306 -0.578 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCOC1)NC(=O)Cn1cccnc1=O ZINC001601389621 1017846662 /nfs/dbraw/zinc/84/66/62/1017846662.db2.gz VNDMSBFAFJJMJH-MNOVXSKESA-N -1 0 309.322 -0.371 20 0 DBADRM O=C([O-])c1cnc(NCCCNC(=O)Cn2cccn2)nc1 ZINC001601389645 1017846735 /nfs/dbraw/zinc/84/67/35/1017846735.db2.gz WWZISAWYBQDPHV-UHFFFAOYSA-N -1 0 304.310 -0.010 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(NC(=O)Cn2cccn2)CCC1 ZINC001601389337 1017846756 /nfs/dbraw/zinc/84/67/56/1017846756.db2.gz KXIZSPQJDDHGAD-QWRGUYRKSA-N -1 0 320.349 -0.241 20 0 DBADRM O=C([O-])C1(C2(O)CCN(C(=O)Cn3cnnn3)CC2)CCC1 ZINC001601390582 1017847125 /nfs/dbraw/zinc/84/71/25/1017847125.db2.gz AQGMVQLRHSFLBI-UHFFFAOYSA-N -1 0 309.326 -0.719 20 0 DBADRM O=C([O-])c1nc[nH]c1NC(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001601390864 1017847358 /nfs/dbraw/zinc/84/73/58/1017847358.db2.gz FVYZVQHHWUOHCF-UHFFFAOYSA-N -1 0 320.309 -0.169 20 0 DBADRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)C1CCS(=O)(=O)CC1 ZINC001601408785 1017847550 /nfs/dbraw/zinc/84/75/50/1017847550.db2.gz KYDJHKPMGOQBJN-WDEREUQCSA-N -1 0 319.379 -0.050 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N[C@@H](c2cccs2)C2CC2)C1 ZINC001601428552 1017847878 /nfs/dbraw/zinc/84/78/78/1017847878.db2.gz ZFYLLVXIQCUTRM-SNVBAGLBSA-N -1 0 324.358 -0.027 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC001601420872 1017848268 /nfs/dbraw/zinc/84/82/68/1017848268.db2.gz ZHRQPOLGNKLOHV-LLVKDONJSA-N -1 0 312.297 -0.162 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1ccc2n[nH]nc2c1 ZINC001601429956 1017848334 /nfs/dbraw/zinc/84/83/34/1017848334.db2.gz XBZUJFRICTVNNG-SNVBAGLBSA-N -1 0 301.266 -0.567 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1[nH]cnc1C(F)(F)F ZINC001601428618 1017848460 /nfs/dbraw/zinc/84/84/60/1017848460.db2.gz LJFGMRAEGALDBV-RXMQYKEDSA-N -1 0 318.215 -0.097 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1cc2c(cn1)OCCC2 ZINC001601429523 1017848558 /nfs/dbraw/zinc/84/85/58/1017848558.db2.gz STHZQWIFLGFHJB-NSHDSACASA-N -1 0 317.305 -0.119 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001601428643 1017848584 /nfs/dbraw/zinc/84/85/84/1017848584.db2.gz MECGYXWMWWVZFF-KCJUWKMLSA-N -1 0 304.310 -0.624 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1O)NC(=O)C1CS(=O)(=O)C1 ZINC001601424680 1017848640 /nfs/dbraw/zinc/84/86/40/1017848640.db2.gz YGXLVDMNPLASFI-JTQLQIEISA-N -1 0 313.331 -0.451 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@H]2CC23CCS(=O)(=O)CC3)CCOC1 ZINC001601430911 1017848881 /nfs/dbraw/zinc/84/88/81/1017848881.db2.gz RPPGQAPNDQLXQB-RNCFNFMXSA-N -1 0 317.363 -0.439 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC001601436858 1017849178 /nfs/dbraw/zinc/84/91/78/1017849178.db2.gz IALUJGNXYNHUEX-VLEAKVRGSA-N -1 0 323.349 -0.765 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)N2CCn3cnnc3C2)CC1 ZINC001601435420 1017849286 /nfs/dbraw/zinc/84/92/86/1017849286.db2.gz VJGBUFKQPSQWOA-UHFFFAOYSA-N -1 0 321.337 -0.620 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001601438159 1017849318 /nfs/dbraw/zinc/84/93/18/1017849318.db2.gz JIJZUHIZUKIUCG-WTPMCQDGSA-N -1 0 310.350 -0.415 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC2CC3(CCC3)C2)C1 ZINC001601435861 1017849576 /nfs/dbraw/zinc/84/95/76/1017849576.db2.gz POLRJMHTNDSXLG-MWLCHTKSSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2cnns2)CC1 ZINC001601441448 1017849588 /nfs/dbraw/zinc/84/95/88/1017849588.db2.gz SDEATBKIJYQYFR-RKDXNWHRSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2cnns2)CC1 ZINC001601441446 1017849629 /nfs/dbraw/zinc/84/96/29/1017849629.db2.gz SDEATBKIJYQYFR-DTWKUNHWSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC(F)(F)C2)CCO1 ZINC001601436704 1017849732 /nfs/dbraw/zinc/84/97/32/1017849732.db2.gz CVCSPYDUCXCSJI-HTQZYQBOSA-N -1 0 306.265 -0.398 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C1 ZINC001601440441 1017849751 /nfs/dbraw/zinc/84/97/51/1017849751.db2.gz PZBRTMUWXAKBGX-KKOKHZNYSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001601438155 1017849793 /nfs/dbraw/zinc/84/97/93/1017849793.db2.gz JIJZUHIZUKIUCG-CSYMLDBXSA-N -1 0 310.350 -0.415 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)CCO1 ZINC001601438245 1017849849 /nfs/dbraw/zinc/84/98/49/1017849849.db2.gz URGRCVOISKXYRE-RKDXNWHRSA-N -1 0 320.292 -0.008 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)N[C@H]1CCc3nnnn3CC1)C2 ZINC001601447511 1017850071 /nfs/dbraw/zinc/85/00/71/1017850071.db2.gz HKRREPAFECAZAV-YCWTYVPXSA-N -1 0 320.353 -0.070 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2ccncc2F)C1 ZINC001601447841 1017850106 /nfs/dbraw/zinc/85/01/06/1017850106.db2.gz KNEHYCLHZANFQX-VHSXEESVSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2ccc(F)nc2)C1 ZINC001601447499 1017850784 /nfs/dbraw/zinc/85/07/84/1017850784.db2.gz HEHLIMZCTAKCTH-ZJUUUORDSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)c3cccnn3)C2)n1 ZINC001601443062 1017850826 /nfs/dbraw/zinc/85/08/26/1017850826.db2.gz DEVQJZRPVIWANP-VIFPVBQESA-N -1 0 314.305 -0.027 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)CNC(=O)c2cccnc2)C1 ZINC001601446407 1017850877 /nfs/dbraw/zinc/85/08/77/1017850877.db2.gz MOPDGBZWUCSNSW-QWRGUYRKSA-N -1 0 307.306 -0.895 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)c2ccoc2)n1 ZINC001601466739 1017851031 /nfs/dbraw/zinc/85/10/31/1017851031.db2.gz QAJOVDYRLZJEGC-SECBINFHSA-N -1 0 306.278 -0.608 20 0 DBADRM O=C([O-])c1coc(CNC(=O)NCC(=O)N2CCOCC2)c1 ZINC001601449194 1017851051 /nfs/dbraw/zinc/85/10/51/1017851051.db2.gz FAPFHQOGXOJMEK-UHFFFAOYSA-N -1 0 311.294 -0.364 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC001601449041 1017851460 /nfs/dbraw/zinc/85/14/60/1017851460.db2.gz UGIPAHKWZSDIBF-ZJUUUORDSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)CNC(=O)c1cccnc1 ZINC001601449630 1017851529 /nfs/dbraw/zinc/85/15/29/1017851529.db2.gz KAZZWHCCJTUVRY-JQWIXIFHSA-N -1 0 307.306 -0.752 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCC(=O)N2CCc3ccccc32)C1 ZINC001601448847 1017851578 /nfs/dbraw/zinc/85/15/78/1017851578.db2.gz OSPXQOGZEUEPCS-UHFFFAOYSA-N -1 0 319.317 -0.583 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)C2=COCCC2)nc1 ZINC001601461391 1017851911 /nfs/dbraw/zinc/85/19/11/1017851911.db2.gz LQORVSHXKNBOBO-LLVKDONJSA-N -1 0 322.321 -0.242 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)C(=O)NCC(F)F)C2)nn1 ZINC001601461536 1017851919 /nfs/dbraw/zinc/85/19/19/1017851919.db2.gz ROBUCWDAOFLKBU-ZCFIWIBFSA-N -1 0 317.252 -0.869 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@H]2CCCS(=O)(=O)C2)CCOCC1 ZINC001601472529 1017852149 /nfs/dbraw/zinc/85/21/49/1017852149.db2.gz DYPRLSRONCFBSD-JTQLQIEISA-N -1 0 319.379 -0.191 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NC[C@@H](n2cncn2)C(F)(F)F)C1 ZINC001601468318 1017852465 /nfs/dbraw/zinc/85/24/65/1017852465.db2.gz KYSWQCRWIMYRQV-ZCFIWIBFSA-N -1 0 323.231 -0.778 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2ccnnc2)CC1 ZINC001601476615 1017852477 /nfs/dbraw/zinc/85/24/77/1017852477.db2.gz ULJBEJPUGFFCMY-VHSXEESVSA-N -1 0 304.306 -0.424 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2cccc(=O)[nH]2)CC1 ZINC001601476045 1017852514 /nfs/dbraw/zinc/85/25/14/1017852514.db2.gz LMFDUVJIEOXLIU-RKDXNWHRSA-N -1 0 319.317 -0.114 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2ccc(=O)[nH]c2)CC1 ZINC001601476508 1017852555 /nfs/dbraw/zinc/85/25/55/1017852555.db2.gz UFHGDYLCOFEUJF-UWVGGRQHSA-N -1 0 319.317 -0.114 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)c2cccc(=O)[nH]2)CC1 ZINC001601476042 1017852571 /nfs/dbraw/zinc/85/25/71/1017852571.db2.gz LMFDUVJIEOXLIU-BDAKNGLRSA-N -1 0 319.317 -0.114 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)c2ccccc2-n2cnnn2)CCOC1 ZINC001601472436 1017852784 /nfs/dbraw/zinc/85/27/84/1017852784.db2.gz NISGYHKXFUQEBX-CQSZACIVSA-N -1 0 317.305 -0.117 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CCOC1 ZINC001601473770 1017852837 /nfs/dbraw/zinc/85/28/37/1017852837.db2.gz MHROUDGXZOJXTD-AMIZOPFISA-N -1 0 310.310 -0.846 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2ccc(=O)[nH]c2)CC1 ZINC001601476510 1017852881 /nfs/dbraw/zinc/85/28/81/1017852881.db2.gz UFHGDYLCOFEUJF-VHSXEESVSA-N -1 0 319.317 -0.114 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ncc[nH]2)CCC1 ZINC001601475455 1017852927 /nfs/dbraw/zinc/85/29/27/1017852927.db2.gz CZVXSGNBBSXMND-BDAKNGLRSA-N -1 0 306.322 -0.101 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2cccc(=O)[nH]2)CC1 ZINC001601476044 1017853028 /nfs/dbraw/zinc/85/30/28/1017853028.db2.gz LMFDUVJIEOXLIU-IUCAKERBSA-N -1 0 319.317 -0.114 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCC2(CCO)CC2)n1 ZINC001601474847 1017853085 /nfs/dbraw/zinc/85/30/85/1017853085.db2.gz PAARBKIEKSKJLC-UHFFFAOYSA-N -1 0 307.306 -0.003 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001601486307 1017853251 /nfs/dbraw/zinc/85/32/51/1017853251.db2.gz MVIIAMQLAGRFSA-OPRDCNLKSA-N -1 0 320.367 -0.790 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001601485681 1017853542 /nfs/dbraw/zinc/85/35/42/1017853542.db2.gz JSXWXEDUHUTYMD-MLGHIDQZSA-N -1 0 324.377 -0.167 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2ncccn2)C1 ZINC001601487765 1017853599 /nfs/dbraw/zinc/85/35/99/1017853599.db2.gz IRBUWTNBAXVNMF-UWVGGRQHSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001601479052 1017854063 /nfs/dbraw/zinc/85/40/63/1017854063.db2.gz OKMLQHYHIYJOAA-XFWSIPNHSA-N -1 0 302.302 -0.401 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC001601487811 1017854136 /nfs/dbraw/zinc/85/41/36/1017854136.db2.gz IXZJCRGGMUXBHH-GMTAPVOTSA-N -1 0 314.338 -0.072 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC001601488791 1017854386 /nfs/dbraw/zinc/85/43/86/1017854386.db2.gz WCJUUJBXOVFHKB-BDAKNGLRSA-N -1 0 306.290 -0.370 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC2COC2)c2ccccc2O1 ZINC001601488358 1017854555 /nfs/dbraw/zinc/85/45/55/1017854555.db2.gz PVRSMBNDTVLPTC-GFCCVEGCSA-N -1 0 320.301 -0.372 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2cccnn2)C1 ZINC001601488328 1017854680 /nfs/dbraw/zinc/85/46/80/1017854680.db2.gz OZYBDFLQZKBXIC-NXEZZACHSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])c1nccc(NCC=CCNC(=O)c2ccncn2)n1 ZINC001601490517 1017854716 /nfs/dbraw/zinc/85/47/16/1017854716.db2.gz CQBYCHOVAFPQPE-UPHRSURJSA-N -1 0 314.305 -0.215 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2ccnnc2)C1 ZINC001601488559 1017854742 /nfs/dbraw/zinc/85/47/42/1017854742.db2.gz SQRGOOFZDQGCBO-GHMZBOCLSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)CCNC(=O)c1ccco1 ZINC001601490495 1017854898 /nfs/dbraw/zinc/85/48/98/1017854898.db2.gz CHYOBEQNDVIZJY-CABZTGNLSA-N -1 0 310.306 -0.164 20 0 DBADRM O=C([O-])c1nccc(NC/C=C\CNC(=O)c2cncnc2)n1 ZINC001601492550 1017854905 /nfs/dbraw/zinc/85/49/05/1017854905.db2.gz RGFZAXFKQLYBGL-UPHRSURJSA-N -1 0 314.305 -0.215 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001601488683 1017854980 /nfs/dbraw/zinc/85/49/80/1017854980.db2.gz UFQKUWBUPBXRER-DTWKUNHWSA-N -1 0 320.305 -0.909 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)NCCCOCCO ZINC001601500280 1017855468 /nfs/dbraw/zinc/85/54/68/1017855468.db2.gz OFIWVJVEVPFGTK-UHFFFAOYSA-N -1 0 316.335 -0.100 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)NCCCn1cc(CO)nn1)C2 ZINC001601501145 1017855721 /nfs/dbraw/zinc/85/57/21/1017855721.db2.gz YTGAUAQOXGGDSK-BFVZDQMLSA-N -1 0 323.353 -0.287 20 0 DBADRM O=C([O-])c1cc2c(cc1NC(=O)C(=O)NCCCO)OCO2 ZINC001601499982 1017855740 /nfs/dbraw/zinc/85/57/40/1017855740.db2.gz PPKGEVSUHCBBTN-UHFFFAOYSA-N -1 0 310.262 -0.449 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCCCOC[C@H]2CCCO2)C1 ZINC001601499640 1017856156 /nfs/dbraw/zinc/85/61/56/1017856156.db2.gz CSGMKTQCEOVSND-SNVBAGLBSA-N -1 0 302.327 -0.587 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCNC(=O)c1csnn1)C1CC1 ZINC001601501573 1017856307 /nfs/dbraw/zinc/85/63/07/1017856307.db2.gz BWFMKENJHVUAMA-RKDXNWHRSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)NCCOCCCO ZINC001601505505 1017856614 /nfs/dbraw/zinc/85/66/14/1017856614.db2.gz LCSXQFFXTAYEGJ-UHFFFAOYSA-N -1 0 316.335 -0.100 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNC(=O)c1ccn(C(F)F)n1 ZINC001601503120 1017857321 /nfs/dbraw/zinc/85/73/21/1017857321.db2.gz HRYXBAJLHYITNZ-RQJHMYQMSA-N -1 0 316.264 -0.155 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1cn2cccnc2n1 ZINC001601502885 1017857478 /nfs/dbraw/zinc/85/74/78/1017857478.db2.gz CBIOFKXCEWIGTN-DTWKUNHWSA-N -1 0 317.305 -0.704 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C(=O)Nc2ccc(F)cn2)nn1 ZINC001601518538 1017857593 /nfs/dbraw/zinc/85/75/93/1017857593.db2.gz WKELSZLBWKDFRP-UHFFFAOYSA-N -1 0 322.256 -0.735 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)nn1 ZINC001601517317 1017857931 /nfs/dbraw/zinc/85/79/31/1017857931.db2.gz FDPSSYBTUJDBEL-VXIZUSDNSA-N -1 0 321.337 -0.301 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCS(=O)(=O)CC2CC2)no1 ZINC001601507263 1017858047 /nfs/dbraw/zinc/85/80/47/1017858047.db2.gz JXBCWPSPGWEQOE-UHFFFAOYSA-N -1 0 302.308 -0.073 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001601507527 1017858063 /nfs/dbraw/zinc/85/80/63/1017858063.db2.gz DQORIPSGXPVWFN-STQMWFEESA-N -1 0 320.345 -0.013 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2O)n1 ZINC001601519051 1017858805 /nfs/dbraw/zinc/85/88/05/1017858805.db2.gz MVRSWCJWMJRIHG-WCBMZHEXSA-N -1 0 307.306 -0.005 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)CCO1 ZINC001601519478 1017858743 /nfs/dbraw/zinc/85/87/43/1017858743.db2.gz QRVXEHZPJOWRFK-USZNOCQGSA-N -1 0 324.333 -0.994 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001601521602 1017858926 /nfs/dbraw/zinc/85/89/26/1017858926.db2.gz ZJKZLGLHGPUSDU-KXUCPTDWSA-N -1 0 302.302 -0.447 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)Nc1n[nH]nc1C(=O)NC1CC1 ZINC001601521418 1017859035 /nfs/dbraw/zinc/85/90/35/1017859035.db2.gz RNSLYFMPOKXFLB-YFKPBYRVSA-N -1 0 300.250 -0.759 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCN(CC2CC2)CC1 ZINC001601520924 1017859205 /nfs/dbraw/zinc/85/92/05/1017859205.db2.gz XBYCJKQPOABEIW-JTQLQIEISA-N -1 0 301.318 -0.921 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001601520794 1017859224 /nfs/dbraw/zinc/85/92/24/1017859224.db2.gz UXEXIGBTWLMRIV-HCWXCVPCSA-N -1 0 300.208 -0.018 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)CCO1 ZINC001601519479 1017859283 /nfs/dbraw/zinc/85/92/83/1017859283.db2.gz QRVXEHZPJOWRFK-WHOHXGKFSA-N -1 0 324.333 -0.994 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCC(O)(C2CCC2)CC1 ZINC001601520944 1017859304 /nfs/dbraw/zinc/85/93/04/1017859304.db2.gz PVSINBGWZSJBME-JTQLQIEISA-N -1 0 316.329 -0.321 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1 ZINC001601519944 1017859386 /nfs/dbraw/zinc/85/93/86/1017859386.db2.gz KMISIWGOJKEOFT-VWYCJHECSA-N -1 0 316.329 -0.153 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H](F)C1 ZINC001601523023 1017859455 /nfs/dbraw/zinc/85/94/55/1017859455.db2.gz SUFJETPGOFCGJR-CHWFTXMASA-N -1 0 316.329 -0.011 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC001601526477 1017859672 /nfs/dbraw/zinc/85/96/72/1017859672.db2.gz CLXQKSYOPKHMGQ-IRCOFANPSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001601524050 1017859883 /nfs/dbraw/zinc/85/98/83/1017859883.db2.gz OIWZJAIGSXQDEM-IQJOONFLSA-N -1 0 309.326 -0.769 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CO)C[C@H]1CCCO1 ZINC001601524354 1017860155 /nfs/dbraw/zinc/86/01/55/1017860155.db2.gz XEHTYKSPWUQFGJ-DDHJBXDOSA-N -1 0 316.354 -0.295 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CO)[C@@H]1CCOC1 ZINC001601523447 1017860237 /nfs/dbraw/zinc/86/02/37/1017860237.db2.gz HWMCGTGFQCIFKR-CHWFTXMASA-N -1 0 302.327 -0.827 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CC[C@H]([C@H]2CCCO2)C1 ZINC001601526665 1017860436 /nfs/dbraw/zinc/86/04/36/1017860436.db2.gz GHMQIWXIXLBUFX-IRCOFANPSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC001601523691 1017860599 /nfs/dbraw/zinc/86/05/99/1017860599.db2.gz JIPRTXZQDIPPFZ-ZJUUUORDSA-N -1 0 310.306 -0.164 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1(F)F ZINC001601530217 1017860885 /nfs/dbraw/zinc/86/08/85/1017860885.db2.gz UYFOYIGLWXOQSE-ZKWXMUAHSA-N -1 0 315.280 -0.292 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC001601527258 1017860921 /nfs/dbraw/zinc/86/09/21/1017860921.db2.gz VQJXQJJJIMLYFB-LZQZFOIKSA-N -1 0 322.361 -0.103 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1 ZINC001601532883 1017860995 /nfs/dbraw/zinc/86/09/95/1017860995.db2.gz SCBYZHRPQGPPHS-JHJVBQTASA-N -1 0 307.302 -0.586 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)NCc1ccc(F)cc1 ZINC001601538195 1017861185 /nfs/dbraw/zinc/86/11/85/1017861185.db2.gz PXKKWFFLPJWXER-RYUDHWBXSA-N -1 0 324.308 -0.122 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCc2cc(=O)n3ccccc3n2)C1 ZINC001601531584 1017861274 /nfs/dbraw/zinc/86/12/74/1017861274.db2.gz MULVWNNVUUHFJF-UHFFFAOYSA-N -1 0 318.289 -0.965 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001601527323 1017861345 /nfs/dbraw/zinc/86/13/45/1017861345.db2.gz YXHYSRQNOLASNS-LPWJVIDDSA-N -1 0 323.393 -0.044 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCc2cccc(F)c2)C1 ZINC001601541229 1017861514 /nfs/dbraw/zinc/86/15/14/1017861514.db2.gz HIKVMZJZZOFZPK-PWSUYJOCSA-N -1 0 324.308 -0.264 20 0 DBADRM O=C([O-])c1cnc(CNC(=O)NCC2(CO)COC2)s1 ZINC001601547947 1017861547 /nfs/dbraw/zinc/86/15/47/1017861547.db2.gz DIGZGVICAYQJBX-UHFFFAOYSA-N -1 0 301.324 -0.351 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCSC[C@H]1CCO ZINC001601526981 1017861590 /nfs/dbraw/zinc/86/15/90/1017861590.db2.gz MFJJEOOBYZWMCD-OPRDCNLKSA-N -1 0 316.379 -0.850 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC001601527257 1017861653 /nfs/dbraw/zinc/86/16/53/1017861653.db2.gz VQJXQJJJIMLYFB-IYKVGLELSA-N -1 0 322.361 -0.103 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2cncnc2)C1 ZINC001601573133 1017862046 /nfs/dbraw/zinc/86/20/46/1017862046.db2.gz BCDXBVNODINXBM-ZRUFSTJUSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1ccc(-n2cncn2)nc1 ZINC001601569997 1017862185 /nfs/dbraw/zinc/86/21/85/1017862185.db2.gz JLAORUHIPMOLLN-GXSJLCMTSA-N -1 0 303.278 -0.366 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)c1cn2cccnc2n1 ZINC001601568226 1017862307 /nfs/dbraw/zinc/86/23/07/1017862307.db2.gz VHHPHWMAMSGLEE-SECBINFHSA-N -1 0 300.278 -0.122 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2cncnc2)C1 ZINC001601573130 1017862333 /nfs/dbraw/zinc/86/23/33/1017862333.db2.gz BCDXBVNODINXBM-LMLFDSFASA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)C2CCOCC2)C1 ZINC001601573852 1017862537 /nfs/dbraw/zinc/86/25/37/1017862537.db2.gz MURPANDKBLPKSM-KXNHARMFSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)C2=COCCO2)C1 ZINC001601573180 1017862671 /nfs/dbraw/zinc/86/26/71/1017862671.db2.gz CTMVGOXKHUFFNV-QCLAVDOMSA-N -1 0 310.306 -0.641 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC(F)(F)C[C@H]2CO)C1 ZINC001601570449 1017862841 /nfs/dbraw/zinc/86/28/41/1017862841.db2.gz ZEFSKYDVWGBPPR-VGMNWLOBSA-N -1 0 320.292 -0.416 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)c1ccn2nnnc2c1 ZINC001601568047 1017862876 /nfs/dbraw/zinc/86/28/76/1017862876.db2.gz QYWVUZQZCSUYOC-SECBINFHSA-N -1 0 301.266 -0.727 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001601570977 1017863032 /nfs/dbraw/zinc/86/30/32/1017863032.db2.gz TWBVSIMYVHZFIA-CHWFTXMASA-N -1 0 306.322 -0.604 20 0 DBADRM CCC(=O)N(CC)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001498766681 1017863105 /nfs/dbraw/zinc/86/31/05/1017863105.db2.gz DCYGQXAUSWFTMK-VIFPVBQESA-N -1 0 311.342 -0.451 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ncccc2O)C1 ZINC001601574695 1017863167 /nfs/dbraw/zinc/86/31/67/1017863167.db2.gz YNHXMYKJPCHWNE-JXUBOQSCSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccnnc2)C1 ZINC001601574451 1017863358 /nfs/dbraw/zinc/86/33/58/1017863358.db2.gz VRGBKEQLZJKTSH-ZRUFSTJUSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnn1 ZINC001601579464 1017863449 /nfs/dbraw/zinc/86/34/49/1017863449.db2.gz WLXJHLYXQIDRAO-ULHKAFAUSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)C(=O)N3CC[C@]34CCOC4)[C@@H]2C1 ZINC001601578717 1017863581 /nfs/dbraw/zinc/86/35/81/1017863581.db2.gz XVBFBFCRDTXCDK-OENPGXAMSA-N -1 0 322.361 -0.007 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)c2ncccc2O)C1 ZINC001601578857 1017863659 /nfs/dbraw/zinc/86/36/59/1017863659.db2.gz YNHXMYKJPCHWNE-XKNYDFJKSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2C[C@@H](NC(=O)c3cn[nH]c3)C2)n1 ZINC001601578278 1017863735 /nfs/dbraw/zinc/86/37/35/1017863735.db2.gz WCJOOJJDOXLOIO-KYZUINATSA-N -1 0 302.294 -0.307 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC001601579552 1017863789 /nfs/dbraw/zinc/86/37/89/1017863789.db2.gz ZLGHECFWVNLFBI-OSQNNJELSA-N -1 0 310.350 -0.128 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2F)C1 ZINC001601577668 1017863798 /nfs/dbraw/zinc/86/37/98/1017863798.db2.gz QESBLGLMURINFV-BGZDPUMWSA-N -1 0 324.312 -0.106 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncn1 ZINC001601579490 1017863819 /nfs/dbraw/zinc/86/38/19/1017863819.db2.gz XCQWTZTZHINDFB-ULHKAFAUSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC001601578335 1017863954 /nfs/dbraw/zinc/86/39/54/1017863954.db2.gz NDAPNNXFVLFBAA-OKTBNZSVSA-N -1 0 324.255 -0.509 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)C(=O)N3CCC[C@H]3CCO)[C@@H]2C1 ZINC001601578907 1017864027 /nfs/dbraw/zinc/86/40/27/1017864027.db2.gz YVWRLFCOILMJMC-SJHCENCUSA-N -1 0 324.377 -0.025 20 0 DBADRM O=C([O-])c1cnc(Cl)c(NC(=O)C(=O)N2CC[C@H](O)C2)c1 ZINC001601585546 1017864085 /nfs/dbraw/zinc/86/40/85/1017864085.db2.gz NEMKXMRSZZDUAX-ZETCQYMHSA-N -1 0 313.697 -0.035 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2ccnnc2)C1 ZINC001601578255 1017864288 /nfs/dbraw/zinc/86/42/88/1017864288.db2.gz WACBSODADDGUPN-VGDYDELISA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001601651432 1017864959 /nfs/dbraw/zinc/86/49/59/1017864959.db2.gz VKSFJTNKNPJEMK-APPZFPTMSA-N -1 0 317.298 -0.745 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1CCOC1 ZINC001601653717 1017865023 /nfs/dbraw/zinc/86/50/23/1017865023.db2.gz KXOSYAFKRRNALU-PJSNJIKXSA-N -1 0 313.350 -0.109 20 0 DBADRM O=C([O-])[C@H](CNC(=O)N1C[C@H](CO)[C@H](O)C1)Cc1ccccc1 ZINC001601653034 1017865264 /nfs/dbraw/zinc/86/52/64/1017865264.db2.gz WZAKYQYXOHXKRG-BFHYXJOUSA-N -1 0 322.361 -0.076 20 0 DBADRM O=C([O-])[C@H](CNC(=O)N1C[C@@H](O)[C@H](CO)C1)Cc1ccccc1 ZINC001601653036 1017865403 /nfs/dbraw/zinc/86/54/03/1017865403.db2.gz WZAKYQYXOHXKRG-MELADBBJSA-N -1 0 322.361 -0.076 20 0 DBADRM O=C([O-])[C@H](CNC(=O)N1C[C@H](O)[C@H](CO)C1)Cc1ccccc1 ZINC001601653035 1017865676 /nfs/dbraw/zinc/86/56/76/1017865676.db2.gz WZAKYQYXOHXKRG-IHRRRGAJSA-N -1 0 322.361 -0.076 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001601682047 1017866057 /nfs/dbraw/zinc/86/60/57/1017866057.db2.gz SFUYMEXJMIXRPS-ZJUUUORDSA-N -1 0 320.367 -0.959 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCCN(C2CC2)C1=O ZINC001601662791 1017866521 /nfs/dbraw/zinc/86/65/21/1017866521.db2.gz KRPNHBDKUZUQII-VXGBXAGGSA-N -1 0 320.349 -0.147 20 0 DBADRM O=C([O-])[C@@H](NCC(=O)N1CCNC1=O)c1ccc2c(c1)CCO2 ZINC001601670476 1017866656 /nfs/dbraw/zinc/86/66/56/1017866656.db2.gz PIMJTFYWIILEKJ-ZDUSSCGKSA-N -1 0 319.317 -0.111 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC001601677897 1017866694 /nfs/dbraw/zinc/86/66/94/1017866694.db2.gz SMHTVTIUGAWVBG-KOLCDFICSA-N -1 0 302.352 -0.468 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)c2cccn3nnnc23)CC1 ZINC001601684593 1017867570 /nfs/dbraw/zinc/86/75/70/1017867570.db2.gz ZGBBTTJXRQZYIE-JTQLQIEISA-N -1 0 305.294 -0.578 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(Cc2nnn(CC(F)(F)F)n2)CC1 ZINC001601683715 1017867925 /nfs/dbraw/zinc/86/79/25/1017867925.db2.gz CTZIXFXDAQAJLO-SECBINFHSA-N -1 0 323.275 -0.107 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(S(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC001601683958 1017867982 /nfs/dbraw/zinc/86/79/82/1017867982.db2.gz HPBYEBNXMRHTHW-MWLCHTKSSA-N -1 0 307.368 -0.490 20 0 DBADRM O=C([O-])C1(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)CC1 ZINC001601699208 1017868067 /nfs/dbraw/zinc/86/80/67/1017868067.db2.gz AUWCIMBZESMUDZ-UHFFFAOYSA-N -1 0 317.363 -0.343 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCn2ncnn2)CCCCC1 ZINC001601715692 1017868324 /nfs/dbraw/zinc/86/83/24/1017868324.db2.gz AKFVOJYWFBJPFS-UHFFFAOYSA-N -1 0 317.371 -0.372 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N[C@@H](CO)C2CCOCC2)CCC1 ZINC001601712969 1017868381 /nfs/dbraw/zinc/86/83/81/1017868381.db2.gz OAXZHNGEIIGLBG-NSHDSACASA-N -1 0 321.395 -0.052 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(c3nnnn3C3CCC3)CC2)CCOC1 ZINC001601718384 1017868827 /nfs/dbraw/zinc/86/88/27/1017868827.db2.gz ACQMKYJUGPMUAB-CQSZACIVSA-N -1 0 322.369 -0.236 20 0 DBADRM O=C([O-])[C@@]1(CNS(=O)(=O)c2cncc(F)c2)CCOC1 ZINC001601711569 1017868867 /nfs/dbraw/zinc/86/88/67/1017868867.db2.gz XOBVMSXTSQXSMA-LLVKDONJSA-N -1 0 304.299 -0.010 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC2COCCOC2)CCCC1 ZINC001601712865 1017868885 /nfs/dbraw/zinc/86/88/85/1017868885.db2.gz GXYNMARQPOEDOP-UHFFFAOYSA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC001601723883 1017869798 /nfs/dbraw/zinc/86/97/98/1017869798.db2.gz WCWLGILOQQWBQH-LOWVWBTDSA-N -1 0 319.379 -0.205 20 0 DBADRM O=C([O-])C12CC(C(=O)N[C@@H](CO)[C@@H](O)c3cccnc3)(C1)C2 ZINC001601728111 1017870127 /nfs/dbraw/zinc/87/01/27/1017870127.db2.gz PXIZZSIATZYHBY-WZWWUGBPSA-N -1 0 306.318 -0.153 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)CCC1 ZINC001601725076 1017870172 /nfs/dbraw/zinc/87/01/72/1017870172.db2.gz MNAYICXHVIGVNH-PHIMTYICSA-N -1 0 318.395 -0.224 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N[C@H](CO)C2CCOCC2)CCC1 ZINC001601725949 1017870508 /nfs/dbraw/zinc/87/05/08/1017870508.db2.gz ZZOAPGJSTIKENE-SNVBAGLBSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C1(O)CCN(S(=O)(=O)c2c[nH]nc2Cl)CC1 ZINC001601723050 1017870540 /nfs/dbraw/zinc/87/05/40/1017870540.db2.gz UOEYJNCEYVJPCZ-UHFFFAOYSA-N -1 0 309.731 -0.337 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)C(=O)NC[C@H]3C=CCC3)C2)C1 ZINC001601738587 1017871001 /nfs/dbraw/zinc/87/10/01/1017871001.db2.gz FLFICEPHFWHBBV-BONVTDFDSA-N -1 0 321.333 -0.099 20 0 DBADRM O=C([O-])C1=CC[C@H](NS(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC001601739778 1017871429 /nfs/dbraw/zinc/87/14/29/1017871429.db2.gz BWZILWDSRHDLOL-ONGXEEELSA-N -1 0 314.363 -0.158 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)C1 ZINC001601736500 1017871458 /nfs/dbraw/zinc/87/14/58/1017871458.db2.gz HBAWULMLMARFFF-RJRAAQABSA-N -1 0 320.345 -0.184 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CC[C@H](CCCO)C2)C1 ZINC001601735998 1017871466 /nfs/dbraw/zinc/87/14/66/1017871466.db2.gz DVDXPFAANGUBJG-CMPLNLGQSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001601738207 1017871595 /nfs/dbraw/zinc/87/15/95/1017871595.db2.gz UJHWLTXSBRYDOH-SSDOTTSWSA-N -1 0 302.237 -0.277 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1S(=O)(=O)CCOCC1CC1 ZINC001601751647 1017872022 /nfs/dbraw/zinc/87/20/22/1017872022.db2.gz IBCVWUKOJXRAKF-QWRGUYRKSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(c3nnnn3CC(F)F)C2)C1 ZINC001601750339 1017872549 /nfs/dbraw/zinc/87/25/49/1017872549.db2.gz MTQDOLMJUAJRDH-JTQLQIEISA-N -1 0 302.241 -0.252 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(S(=O)(=O)Cc3ccno3)C2)C1 ZINC001601743703 1017872710 /nfs/dbraw/zinc/87/27/10/1017872710.db2.gz KGMMMNMYIURPMS-LLVKDONJSA-N -1 0 315.307 -0.190 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1ccc(-n2cncn2)nc1 ZINC001601757332 1017872955 /nfs/dbraw/zinc/87/29/55/1017872955.db2.gz GLWJHXVTNPRSHR-ZYHUDNBSSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1ccnc(-n2cncn2)c1 ZINC001601758392 1017872980 /nfs/dbraw/zinc/87/29/80/1017872980.db2.gz QCGQWDBVQTYNIZ-CMPLNLGQSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1ccc(Cn2ccnn2)o1 ZINC001601758407 1017873235 /nfs/dbraw/zinc/87/32/35/1017873235.db2.gz QIKPAVVUVGCINI-ZYHUDNBSSA-N -1 0 320.305 -0.031 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1Cc1cn(C[C@H]2CCCO2)nn1 ZINC001601754894 1017873264 /nfs/dbraw/zinc/87/32/64/1017873264.db2.gz OSMDZHMTQGJUNU-AGIUHOORSA-N -1 0 310.354 -0.133 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1Cc1nnnn1CC(F)(F)F ZINC001601753586 1017873448 /nfs/dbraw/zinc/87/34/48/1017873448.db2.gz MFEUPTBCDDBFAP-XPUUQOCRSA-N -1 0 309.248 -0.355 20 0 DBADRM O=C([O-])C1CC(NC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)C1 ZINC001601759987 1017873656 /nfs/dbraw/zinc/87/36/56/1017873656.db2.gz PBWNZEVFEYMRRX-BZCXBAJXSA-N -1 0 316.379 -0.074 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CC(=O)N(CC(F)(F)F)C2)C1 ZINC001601758696 1017873836 /nfs/dbraw/zinc/87/38/36/1017873836.db2.gz DVLLUDUODRHNQP-SSDOTTSWSA-N -1 0 309.244 -0.459 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1Cc1nnn(CC(F)(F)F)n1 ZINC001601754311 1017873877 /nfs/dbraw/zinc/87/38/77/1017873877.db2.gz NPLNYVXJTXXDNG-POYBYMJQSA-N -1 0 309.248 -0.355 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001601761929 1017875037 /nfs/dbraw/zinc/87/50/37/1017875037.db2.gz AXAHSYTWVXZQNL-RKDXNWHRSA-N -1 0 318.293 -0.831 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@@H]2CC(c3ccccn3)=NO2)C1 ZINC001601766759 1017875637 /nfs/dbraw/zinc/87/56/37/1017875637.db2.gz OZKNZOLOQAIGPV-BREBYQMCSA-N -1 0 319.317 -0.131 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001601765926 1017875785 /nfs/dbraw/zinc/87/57/85/1017875785.db2.gz AQACMDLEUXDNCH-WDEREUQCSA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)CCOC[C@H]2CCCO2)C1 ZINC001601767474 1017876055 /nfs/dbraw/zinc/87/60/55/1017876055.db2.gz RKBRKURIHYELCO-GRYCIOLGSA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2ccc3[nH]c(CO)nc3c2)C1 ZINC001601766268 1017876291 /nfs/dbraw/zinc/87/62/91/1017876291.db2.gz SCICUKXYTGTLHR-UWVGGRQHSA-N -1 0 319.317 -0.037 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(S(=O)(=O)CCOCC2CCC2)C1 ZINC001601767876 1017876391 /nfs/dbraw/zinc/87/63/91/1017876391.db2.gz GXLTXEUJUYTWDG-RYUDHWBXSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001601769350 1017876557 /nfs/dbraw/zinc/87/65/57/1017876557.db2.gz ZCGMEEDEWOEZAS-UTLUCORTSA-N -1 0 322.308 -0.754 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N(CCO)CCNCc1nccs1 ZINC001601776110 1017876955 /nfs/dbraw/zinc/87/69/55/1017876955.db2.gz SNJJUCMLJRVGRJ-ZJUUUORDSA-N -1 0 313.379 -0.226 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001601776525 1017877702 /nfs/dbraw/zinc/87/77/02/1017877702.db2.gz ALZCEFMRJAJNIN-RYUDHWBXSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)CCCn2ccnn2)C1 ZINC001601777092 1017877753 /nfs/dbraw/zinc/87/77/53/1017877753.db2.gz CVLRVQOVWUEYCU-GHMZBOCLSA-N -1 0 321.337 -0.894 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001601776258 1017878412 /nfs/dbraw/zinc/87/84/12/1017878412.db2.gz XCOOKIHCAVKYNA-KNZXXDILSA-N -1 0 322.361 -0.557 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CN(CCOC2CCC2)C1 ZINC001601777079 1017878447 /nfs/dbraw/zinc/87/84/47/1017878447.db2.gz CTTKYFFVZKSCLH-VXGBXAGGSA-N -1 0 312.366 -0.561 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001601776772 1017878510 /nfs/dbraw/zinc/87/85/10/1017878510.db2.gz CELSZKNDQTXFAX-UWVGGRQHSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1=CCN(C(=O)c2cnon2)CC1 ZINC001601777128 1017878542 /nfs/dbraw/zinc/87/85/42/1017878542.db2.gz CZMVVEOPUKMNNX-VHSXEESVSA-N -1 0 320.305 -0.321 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(CC(=O)N2CCCC2)C1 ZINC001601776863 1017878567 /nfs/dbraw/zinc/87/85/67/1017878567.db2.gz ATMKXBDZNIYSJC-NEPJUHHUSA-N -1 0 309.366 -0.623 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)Cn2nccn2)CC1 ZINC001601777506 1017879045 /nfs/dbraw/zinc/87/90/45/1017879045.db2.gz HXFCYIVTSLYQIT-WDEREUQCSA-N -1 0 321.337 -0.940 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)Cn2nccn2)CC1 ZINC001601777505 1017879289 /nfs/dbraw/zinc/87/92/89/1017879289.db2.gz HXFCYIVTSLYQIT-QWRGUYRKSA-N -1 0 321.337 -0.940 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)C2=CCCC2)C1 ZINC001601778393 1017879403 /nfs/dbraw/zinc/87/94/03/1017879403.db2.gz KQUHUWXZPFTNIR-RYUDHWBXSA-N -1 0 322.361 -0.103 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001601779108 1017880059 /nfs/dbraw/zinc/88/00/59/1017880059.db2.gz NRVOICKQJBELDF-RCNNMGOYSA-N -1 0 320.345 -0.828 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001601779613 1017880459 /nfs/dbraw/zinc/88/04/59/1017880459.db2.gz PFFQGEGUEVCLRP-QWRGUYRKSA-N -1 0 319.317 -0.208 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)Cc2ncccc2F)C1 ZINC001601779589 1017880468 /nfs/dbraw/zinc/88/04/68/1017880468.db2.gz NDZOKULICYNQEU-VHSXEESVSA-N -1 0 321.308 -0.189 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001601779614 1017880479 /nfs/dbraw/zinc/88/04/79/1017880479.db2.gz PFFQGEGUEVCLRP-WDEREUQCSA-N -1 0 319.317 -0.208 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3csnn3)C[C@H]21 ZINC001601778947 1017880557 /nfs/dbraw/zinc/88/05/57/1017880557.db2.gz FKJPGNMMZNSPSF-UFNQKSLJSA-N -1 0 322.346 -0.555 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)CC(F)(F)F)C1 ZINC001601779374 1017880845 /nfs/dbraw/zinc/88/08/45/1017880845.db2.gz LLXZKBPKSQOWJF-RQJHMYQMSA-N -1 0 324.255 -0.651 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN(C(=O)c1ncccn1)C1CC1 ZINC001601779310 1017880901 /nfs/dbraw/zinc/88/09/01/1017880901.db2.gz IQBKUPZUEYJHSA-GHMZBOCLSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1=CCN(C(=O)c2nc[nH]n2)CC1 ZINC001601778601 1017880953 /nfs/dbraw/zinc/88/09/53/1017880953.db2.gz JOVBGLLNTUOWRL-ZJUUUORDSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC001601779177 1017881009 /nfs/dbraw/zinc/88/10/09/1017881009.db2.gz ORAVYHPEJAEMHP-IUCAKERBSA-N -1 0 316.321 -0.278 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)CCc2nnc[nH]2)CC1 ZINC001601780675 1017881242 /nfs/dbraw/zinc/88/12/42/1017881242.db2.gz SYDQKAWJGBPLLZ-NXEZZACHSA-N -1 0 321.337 -0.871 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCc2nnc[nH]2)CC1 ZINC001601780676 1017881562 /nfs/dbraw/zinc/88/15/62/1017881562.db2.gz SYDQKAWJGBPLLZ-UWVGGRQHSA-N -1 0 321.337 -0.871 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CCOCC3)C[C@H]21 ZINC001601781331 1017881674 /nfs/dbraw/zinc/88/16/74/1017881674.db2.gz NTFKOKLUCULLFF-FHUSYTEZSA-N -1 0 320.345 -0.373 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)c3ccon3)C[C@@H]2C1 ZINC001601780668 1017881694 /nfs/dbraw/zinc/88/16/94/1017881694.db2.gz STQJPUPZWBRYIW-VLEAKVRGSA-N -1 0 319.317 -0.074 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2ccco2)C1 ZINC001601781116 1017881827 /nfs/dbraw/zinc/88/18/27/1017881827.db2.gz UJZQAVLWVVOVJN-UWVGGRQHSA-N -1 0 322.317 -0.307 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3ccon3)C[C@@H]2C1 ZINC001601780667 1017881927 /nfs/dbraw/zinc/88/19/27/1017881927.db2.gz STQJPUPZWBRYIW-LMLFDSFASA-N -1 0 319.317 -0.074 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)c2ccco2)C1 ZINC001601781118 1017882143 /nfs/dbraw/zinc/88/21/43/1017882143.db2.gz UJZQAVLWVVOVJN-ZJUUUORDSA-N -1 0 322.317 -0.307 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(O)CCN(C(=O)C2CCC2)CC1 ZINC001601782364 1017882413 /nfs/dbraw/zinc/88/24/13/1017882413.db2.gz UWMUMRKMLGPIOR-NEPJUHHUSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCN(C(=O)Cc1cc[nH]n1)C1CC1 ZINC001601782379 1017882859 /nfs/dbraw/zinc/88/28/59/1017882859.db2.gz QPHNAUOSOCCJGI-RYUDHWBXSA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2nccs2)C1 ZINC001601781765 1017882877 /nfs/dbraw/zinc/88/28/77/1017882877.db2.gz TUGBVTCKEGSAEY-BDAKNGLRSA-N -1 0 311.363 -0.473 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(O)CCN(C(=O)C2CC2)CC1 ZINC001601783139 1017883218 /nfs/dbraw/zinc/88/32/18/1017883218.db2.gz WDHXRJFAOQBKLF-MNOVXSKESA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)CCc2c[nH]cn2)C1 ZINC001601782372 1017883254 /nfs/dbraw/zinc/88/32/54/1017883254.db2.gz QOXJSMPTYNPYIX-VXGBXAGGSA-N -1 0 320.349 -0.362 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2cnsn2)C1 ZINC001601783112 1017883326 /nfs/dbraw/zinc/88/33/26/1017883326.db2.gz SROFGKGMQGPJME-JGVFFNPUSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3cnoc3)C[C@H]21 ZINC001601784643 1017883659 /nfs/dbraw/zinc/88/36/59/1017883659.db2.gz WAEBRCMFUIOMET-OQEOFVATSA-N -1 0 319.317 -0.489 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2c[nH]nc2C2CC2)C1 ZINC001601784478 1017883707 /nfs/dbraw/zinc/88/37/07/1017883707.db2.gz YOWNKHXKXODODW-NXEZZACHSA-N -1 0 318.333 -0.052 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)N2C1 ZINC001601798272 1017883961 /nfs/dbraw/zinc/88/39/61/1017883961.db2.gz MMELEBLWWTVRRB-HRDYMLBCSA-N -1 0 316.335 -0.699 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]2C(=O)N(CCO[C@@H]3CCOC3)C(=O)N2C1 ZINC001601798869 1017884131 /nfs/dbraw/zinc/88/41/31/1017884131.db2.gz NTYSPXTVPOUVTK-MXWKQRLJSA-N -1 0 312.322 -0.081 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=COCCO3)C[C@H]21 ZINC001601784033 1017884181 /nfs/dbraw/zinc/88/41/81/1017884181.db2.gz UPVKPTHXAGRIBC-ULHKAFAUSA-N -1 0 322.317 -0.832 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1cccnc1 ZINC001601785923 1017884252 /nfs/dbraw/zinc/88/42/52/1017884252.db2.gz ZXVAXWOLLILWDU-VXGBXAGGSA-N -1 0 321.333 -0.647 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cc3n(n2)CCC3)C1 ZINC001601784558 1017884286 /nfs/dbraw/zinc/88/42/86/1017884286.db2.gz ZJMMADINRCUZGF-QWRGUYRKSA-N -1 0 318.333 -0.509 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cccnn3)C[C@H]21 ZINC001601783847 1017884332 /nfs/dbraw/zinc/88/43/32/1017884332.db2.gz TZFYIOVTCBXXSF-OMHSBUABSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCO[C@H](CF)C2)C1=O ZINC001601815226 1017884738 /nfs/dbraw/zinc/88/47/38/1017884738.db2.gz BCXFXJMVFXPCEL-NXEZZACHSA-N -1 0 302.302 -0.494 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCOC[C@H]2C2CC2)C1=O ZINC001601817331 1017885041 /nfs/dbraw/zinc/88/50/41/1017885041.db2.gz LCIPTIRYKZKLDU-RYUDHWBXSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCC[C@@H](CCO)C2)C1=O ZINC001601817827 1017885075 /nfs/dbraw/zinc/88/50/75/1017885075.db2.gz HNLPGFPPYKIIGZ-NWDGAFQWSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCC[C@@H]3COC[C@@H]32)C1=O ZINC001601816569 1017885123 /nfs/dbraw/zinc/88/51/23/1017885123.db2.gz BSAXOZHLOIHJCV-WOPDTQHZSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2C[C@@H]3[C@H](O)CC[C@@H]3C2)C1=O ZINC001601816736 1017885241 /nfs/dbraw/zinc/88/52/41/1017885241.db2.gz IDGFSOAKGZOIJQ-NOOOWODRSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)NCCN1CCNC1=O ZINC001601810116 1017885388 /nfs/dbraw/zinc/88/53/88/1017885388.db2.gz KPKFMPQMUWDFKK-NXEZZACHSA-N -1 0 319.383 -0.426 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H]([C@@H]2CCCO2)C1 ZINC001601821790 1017886073 /nfs/dbraw/zinc/88/60/73/1017886073.db2.gz JVAZAZQQUCMENZ-VWYCJHECSA-N -1 0 309.326 -0.456 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2C[C@H](O)CN2c2ccncn2)C1 ZINC001601819869 1017886491 /nfs/dbraw/zinc/88/64/91/1017886491.db2.gz HIXIOKQABZZCCS-OUAUKWLOSA-N -1 0 306.322 -0.651 20 0 DBADRM O=C([O-])C1CCN(c2nnnn2CCN2CCOCC2)CC1 ZINC001601835900 1017886813 /nfs/dbraw/zinc/88/68/13/1017886813.db2.gz ZBZFAQZBQQCKCW-UHFFFAOYSA-N -1 0 310.358 -0.694 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CC(Cc3ccoc3)C2)CCO1 ZINC001601839641 1017886820 /nfs/dbraw/zinc/88/68/20/1017886820.db2.gz JIMQDNPISAFFSL-GFCCVEGCSA-N -1 0 322.317 -0.408 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC(c3ccccn3)=NO2)CCO1 ZINC001601839176 1017887087 /nfs/dbraw/zinc/88/70/87/1017887087.db2.gz DIOLWYCPYHJTLQ-NWDGAFQWSA-N -1 0 305.290 -0.113 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCOC[C@H]2c2ncno2)CC1 ZINC001601823177 1017887137 /nfs/dbraw/zinc/88/71/37/1017887137.db2.gz LPKLWJTXFOZJBW-NSHDSACASA-N -1 0 324.337 -0.234 20 0 DBADRM O=C([O-])[C@H]1CCN(c2nnnn2[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001601835268 1017887471 /nfs/dbraw/zinc/88/74/71/1017887471.db2.gz WGRHRDYKURWGGA-GXSJLCMTSA-N -1 0 320.353 -0.090 20 0 DBADRM O=C([O-])C1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC001601843293 1017887950 /nfs/dbraw/zinc/88/79/50/1017887950.db2.gz QPXVNNCSEPXBDK-UHFFFAOYSA-N -1 0 324.314 -0.626 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N(CCN3CCNC3=O)C(=O)[C@H]2C1 ZINC001601843246 1017888126 /nfs/dbraw/zinc/88/81/26/1017888126.db2.gz RGBRKCDHICSJBC-RKDXNWHRSA-N -1 0 310.310 -0.861 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCN(CC(F)F)C2)CCO1 ZINC001601843989 1017888329 /nfs/dbraw/zinc/88/83/29/1017888329.db2.gz AQDPUIAZSJEINM-IUCAKERBSA-N -1 0 307.297 -0.179 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(C2CC2)on1 ZINC001601854014 1017889225 /nfs/dbraw/zinc/88/92/25/1017889225.db2.gz LDGKMYLHRACUCN-VIFPVBQESA-N -1 0 314.319 -0.124 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC001601853338 1017889304 /nfs/dbraw/zinc/88/93/04/1017889304.db2.gz WCTFIERTLREDIG-IAQYHMDHSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)COC1CCCC1 ZINC001601853857 1017889734 /nfs/dbraw/zinc/88/97/34/1017889734.db2.gz APVFVVNTQBNBOQ-JTQLQIEISA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)OC[C@H]1CCCO1 ZINC001601854198 1017889819 /nfs/dbraw/zinc/88/98/19/1017889819.db2.gz USFJMTQGAAWKOT-RKDXNWHRSA-N -1 0 307.324 -0.514 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccnc1F ZINC001601853916 1017890047 /nfs/dbraw/zinc/89/00/47/1017890047.db2.gz FPEUGVQZXFNSIA-QMMMGPOBSA-N -1 0 302.283 -0.456 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C[C@H]1CCCOC1 ZINC001601853735 1017890062 /nfs/dbraw/zinc/89/00/62/1017890062.db2.gz MROUTQIMQHHHBS-NXEZZACHSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ncc2ccccn21 ZINC001601854543 1017890291 /nfs/dbraw/zinc/89/02/91/1017890291.db2.gz NTDPMNQXJPTBQC-JTQLQIEISA-N -1 0 323.330 -0.342 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cn2ccccc2n1 ZINC001601854778 1017890436 /nfs/dbraw/zinc/89/04/36/1017890436.db2.gz ZRXCRPJVDNWXLE-SNVBAGLBSA-N -1 0 323.330 -0.342 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cnc2cc[nH]c2c1 ZINC001601854681 1017890521 /nfs/dbraw/zinc/89/05/21/1017890521.db2.gz UXQWWMWBYLKPAT-LLVKDONJSA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)NCC(=O)N1CCOCC1)C1CC1 ZINC001601894372 1017890915 /nfs/dbraw/zinc/89/09/15/1017890915.db2.gz YYQUZQNZPQQJGC-NSHDSACASA-N -1 0 313.354 -0.355 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC001601908592 1017890934 /nfs/dbraw/zinc/89/09/34/1017890934.db2.gz HSCJKEUEGUMIFU-SNVBAGLBSA-N -1 0 324.337 -0.112 20 0 DBADRM O=C([O-])C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccncc1 ZINC001601899371 1017891669 /nfs/dbraw/zinc/89/16/69/1017891669.db2.gz CDBMCAOWNSDUHZ-IUCAKERBSA-N -1 0 306.278 -0.688 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)c1ccc(CN2CCOCC2)o1 ZINC001601910859 1017891915 /nfs/dbraw/zinc/89/19/15/1017891915.db2.gz PBFWTGMBFNMLIG-JTQLQIEISA-N -1 0 312.322 -0.323 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 ZINC001601912448 1017892106 /nfs/dbraw/zinc/89/21/06/1017892106.db2.gz WEDLQGGLQVMHSJ-QMMMGPOBSA-N -1 0 321.289 -0.946 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)c1ccnn1C1CCC1 ZINC001601912123 1017892179 /nfs/dbraw/zinc/89/21/79/1017892179.db2.gz BAIKVGQFVQXBPM-SECBINFHSA-N -1 0 303.340 -0.278 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC001601909449 1017892218 /nfs/dbraw/zinc/89/22/18/1017892218.db2.gz RBCXDUQPDYJQAE-VHSXEESVSA-N -1 0 310.306 -0.420 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)Cc1noc(C2CC2)n1 ZINC001601912499 1017892288 /nfs/dbraw/zinc/89/22/88/1017892288.db2.gz HLYMLRRKAKEXHT-SSDOTTSWSA-N -1 0 305.312 -0.798 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC001601910889 1017892403 /nfs/dbraw/zinc/89/24/03/1017892403.db2.gz UKXGXMDGAORTJO-SFYZADRCSA-N -1 0 314.260 -0.799 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC001601910890 1017892473 /nfs/dbraw/zinc/89/24/73/1017892473.db2.gz UKXGXMDGAORTJO-YUMQZZPRSA-N -1 0 314.260 -0.799 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C1CCN(c2cnccn2)CC1 ZINC001601911258 1017892633 /nfs/dbraw/zinc/89/26/33/1017892633.db2.gz YFNBKJMYABDCTN-NSHDSACASA-N -1 0 308.338 -0.355 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC001601910122 1017892768 /nfs/dbraw/zinc/89/27/68/1017892768.db2.gz JYAJIINRQRQQIR-VIFPVBQESA-N -1 0 320.301 -0.376 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)C(=O)Nc2cccc(F)n2)CCOC1 ZINC001601924439 1017893127 /nfs/dbraw/zinc/89/31/27/1017893127.db2.gz RCLYXIZLFNVFRH-CYBMUJFWSA-N -1 0 311.269 -0.091 20 0 DBADRM O=C([O-])CC1(CNC(=O)CS(=O)(=O)C2CC2)CCOCC1 ZINC001601916071 1017893231 /nfs/dbraw/zinc/89/32/31/1017893231.db2.gz AOSPSRFFCSLVLU-UHFFFAOYSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@@H](O)C2CC2)CCS(=O)(=O)CC1 ZINC001601924712 1017893434 /nfs/dbraw/zinc/89/34/34/1017893434.db2.gz FEEBPEBRFLEIJR-JTQLQIEISA-N -1 0 305.352 -0.704 20 0 DBADRM O=C([O-])CC1(CNS(=O)(=O)N2CCOCC2)CCOCC1 ZINC001601921826 1017893504 /nfs/dbraw/zinc/89/35/04/1017893504.db2.gz CCULWDPPSYBYGQ-UHFFFAOYSA-N -1 0 322.383 -0.576 20 0 DBADRM O=C([O-])CC1(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC001601915408 1017893796 /nfs/dbraw/zinc/89/37/96/1017893796.db2.gz LESVFPNIJWYDCO-UHFFFAOYSA-N -1 0 310.398 -0.116 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)CC1 ZINC001601921339 1017893880 /nfs/dbraw/zinc/89/38/80/1017893880.db2.gz BKTADUKUARKNSE-VXAXSWHGSA-N -1 0 307.393 -0.224 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@]2(F)CCOC2)CCS(=O)(=O)CC1 ZINC001601925579 1017893940 /nfs/dbraw/zinc/89/39/40/1017893940.db2.gz OBKHEZYXNBSVTF-LBPRGKRZSA-N -1 0 323.342 -0.347 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)Cn2ccc(=O)[nH]c2=O)CCCOC1 ZINC001601927929 1017894229 /nfs/dbraw/zinc/89/42/29/1017894229.db2.gz QYAWOHVAFVOJHV-CYBMUJFWSA-N -1 0 311.294 -0.911 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)N2CCS(=O)(=O)CC2)CCCOC1 ZINC001601927638 1017894245 /nfs/dbraw/zinc/89/42/45/1017894245.db2.gz IARYUZOEMMBTHS-LBPRGKRZSA-N -1 0 320.367 -0.550 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cnc2n1CCCC2 ZINC001601940252 1017895135 /nfs/dbraw/zinc/89/51/35/1017895135.db2.gz HRQGAAXKQVTSBO-SECBINFHSA-N -1 0 306.322 -0.365 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1nnc2ccccc2n1 ZINC001601939420 1017895359 /nfs/dbraw/zinc/89/53/59/1017895359.db2.gz MFUNNEJIEZLQKN-SNVBAGLBSA-N -1 0 315.289 -0.560 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)C[C@H]1CCCOC1 ZINC001601940780 1017895790 /nfs/dbraw/zinc/89/57/90/1017895790.db2.gz MVYUQBYWXSOJMN-UWVGGRQHSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cccc2[nH]ncc21 ZINC001601943172 1017896377 /nfs/dbraw/zinc/89/63/77/1017896377.db2.gz ZRZRVIRKSMFIDJ-NSHDSACASA-N -1 0 302.290 -0.022 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cccc2cn[nH]c21 ZINC001601941715 1017896472 /nfs/dbraw/zinc/89/64/72/1017896472.db2.gz NVPQOEBBOCJAEF-SNVBAGLBSA-N -1 0 302.290 -0.022 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cc2c(cn1)OCCO2 ZINC001601942336 1017896560 /nfs/dbraw/zinc/89/65/60/1017896560.db2.gz SGTFISFPKALNPK-VIFPVBQESA-N -1 0 321.289 -0.732 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001601942231 1017896578 /nfs/dbraw/zinc/89/65/78/1017896578.db2.gz PWZNTDZZLPONLI-QJPTWQEYSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])CC1CC(NC(=O)CCN2CCCS2(=O)=O)C1 ZINC001601942831 1017896680 /nfs/dbraw/zinc/89/66/80/1017896680.db2.gz RZZGVQIIULEFEN-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)NCCO[C@@H]2CC2(F)F)C1 ZINC001601942835 1017896729 /nfs/dbraw/zinc/89/67/29/1017896729.db2.gz WOPFLEWUVHLATA-AMDVSUOASA-N -1 0 320.292 -0.104 20 0 DBADRM O=C([O-])CC1CC(n2nnnc2N2C[C@@H]3COC(=O)[C@@H]3C2)C1 ZINC001601946283 1017896735 /nfs/dbraw/zinc/89/67/35/1017896735.db2.gz QGYILOKBADATNF-QLVNRRSVSA-N -1 0 307.310 -0.292 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2CCO[C@@H](C(F)F)C2)C1 ZINC001601941028 1017896844 /nfs/dbraw/zinc/89/68/44/1017896844.db2.gz KPGFZZRDIDQTEP-AMDVSUOASA-N -1 0 320.292 -0.152 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](F)C2)CCO1 ZINC001601958235 1017897483 /nfs/dbraw/zinc/89/74/83/1017897483.db2.gz MTIABMBKZNTDTR-UWVGGRQHSA-N -1 0 302.302 -0.351 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCc2ccccn2)CCO1 ZINC001601957355 1017897683 /nfs/dbraw/zinc/89/76/83/1017897683.db2.gz CYUCNPJOPYBSSZ-NSHDSACASA-N -1 0 307.306 -0.600 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)CN2CCCCS2(=O)=O)CCO1 ZINC001601957884 1017897709 /nfs/dbraw/zinc/89/77/09/1017897709.db2.gz NMOICPCBQTWROU-JTQLQIEISA-N -1 0 320.367 -0.886 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)[C@H]2COCCN2CC(F)F)CCO1 ZINC001601958911 1017897751 /nfs/dbraw/zinc/89/77/51/1017897751.db2.gz VUCJMBOZWXBMHU-VHSXEESVSA-N -1 0 322.308 -0.346 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)CNC(=O)c1ncccc1O ZINC001601950952 1017897984 /nfs/dbraw/zinc/89/79/84/1017897984.db2.gz XSXZHZJXVDSOLZ-VIFPVBQESA-N -1 0 307.306 -0.017 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)N2CCCC(F)(F)C2)CCO1 ZINC001601959220 1017898659 /nfs/dbraw/zinc/89/86/59/1017898659.db2.gz UYOGSZSEJISHCM-VIFPVBQESA-N -1 0 320.292 -0.054 20 0 DBADRM O=C([O-])C[C@H]1CN(c2nnnn2Cc2ccc(F)cn2)CCO1 ZINC001601966479 1017899251 /nfs/dbraw/zinc/89/92/51/1017899251.db2.gz SXACHIXTPPRQMQ-NSHDSACASA-N -1 0 322.300 -0.065 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C[C@@H]1C[C@]12CCOC2 ZINC001601967455 1017899358 /nfs/dbraw/zinc/89/93/58/1017899358.db2.gz DUZUSCPPYDIQSN-LOWVWBTDSA-N -1 0 303.380 -0.013 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001601964771 1017899631 /nfs/dbraw/zinc/89/96/31/1017899631.db2.gz BAZPHKKLGKHGHY-QWRGUYRKSA-N -1 0 324.337 -0.370 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1CCOC[C@H]1CCCO1 ZINC001601968431 1017899760 /nfs/dbraw/zinc/89/97/60/1017899760.db2.gz PPLVONQOYOTDRD-NWDGAFQWSA-N -1 0 321.395 -0.244 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C[C@@H]1C[C@@]12CCOC2 ZINC001601967453 1017899893 /nfs/dbraw/zinc/89/98/93/1017899893.db2.gz DUZUSCPPYDIQSN-DMDPSCGWSA-N -1 0 303.380 -0.013 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1CCN(CCCO)CC1 ZINC001601986932 1017900565 /nfs/dbraw/zinc/90/05/65/1017900565.db2.gz YRXNBYZNKSXJJA-UHFFFAOYSA-N -1 0 322.427 -0.039 20 0 DBADRM O=C([O-])CCCCN1CC(S(=O)(=O)N2CCNCC2)C1 ZINC001601987845 1017901000 /nfs/dbraw/zinc/90/10/00/1017901000.db2.gz KTUPGBXRTWBXKE-UHFFFAOYSA-N -1 0 305.400 -0.840 20 0 DBADRM O=C([O-])CCCNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC001601991424 1017901816 /nfs/dbraw/zinc/90/18/16/1017901816.db2.gz UOKKWGAVEGHABW-LLVKDONJSA-N -1 0 312.370 -0.543 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1Cc1cn(C2CC2)nn1 ZINC001601968942 1017902220 /nfs/dbraw/zinc/90/22/20/1017902220.db2.gz WTORCQVBHHFMIZ-NSHDSACASA-N -1 0 314.367 -0.313 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1[C@@H]1CCN(C2CC2)C1=O ZINC001601968750 1017903366 /nfs/dbraw/zinc/90/33/66/1017903366.db2.gz UGZIBEQWMHBYAA-GHMZBOCLSA-N -1 0 316.379 -0.677 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCC1(N2CCOCC2)CC1 ZINC001601999525 1017904486 /nfs/dbraw/zinc/90/44/86/1017904486.db2.gz LCKIOFIDEIHKGU-UHFFFAOYSA-N -1 0 306.384 -0.365 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC001601999428 1017904516 /nfs/dbraw/zinc/90/45/16/1017904516.db2.gz CSBYRABEOYQWHH-SNVBAGLBSA-N -1 0 323.367 -0.307 20 0 DBADRM O=C([O-])CCCONC(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001601996430 1017904954 /nfs/dbraw/zinc/90/49/54/1017904954.db2.gz VFNLNHRAHDYAAG-UHFFFAOYSA-N -1 0 321.289 -0.105 20 0 DBADRM O=C([O-])CCCc1nc(COC(=O)CN2CCOCC2)no1 ZINC001602001130 1017906498 /nfs/dbraw/zinc/90/64/98/1017906498.db2.gz YRSPLCNBKYUAAT-UHFFFAOYSA-N -1 0 313.310 -0.148 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCc1nc([C@H]2CCCO2)n[nH]1 ZINC001602002029 1017906627 /nfs/dbraw/zinc/90/66/27/1017906627.db2.gz OSNOXGPWPUEYJG-MRVPVSSYSA-N -1 0 318.355 -0.060 20 0 DBADRM O=C([O-])CCCONC(=O)c1cc(N2CCOCC2)ncn1 ZINC001601995413 1017907564 /nfs/dbraw/zinc/90/75/64/1017907564.db2.gz WWPLHNURLYQVIH-UHFFFAOYSA-N -1 0 310.310 -0.161 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cnn(CCO)c1 ZINC001602005086 1017908496 /nfs/dbraw/zinc/90/84/96/1017908496.db2.gz UGMANYHAUMWLMO-LBPRGKRZSA-N -1 0 311.338 -0.029 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)C[C@H]1CC(=O)NC1=O ZINC001602005707 1017908936 /nfs/dbraw/zinc/90/89/36/1017908936.db2.gz IZTXWSDGNURFKH-ZJUUUORDSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCN(Cn1nnn(C2CC2)c1=O)C1CCOCC1 ZINC001602008279 1017909026 /nfs/dbraw/zinc/90/90/26/1017909026.db2.gz MXKFZEQXMVMDRO-UHFFFAOYSA-N -1 0 311.342 -0.312 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)c2nccn3ccnc23)C1=O ZINC001602010548 1017909992 /nfs/dbraw/zinc/90/99/92/1017909992.db2.gz HDLXEEQOCZUSSB-VIFPVBQESA-N -1 0 318.289 -0.038 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)c2ccc3nncn3c2)C1=O ZINC001602011298 1017910581 /nfs/dbraw/zinc/91/05/81/1017910581.db2.gz NTKJOFFWTQLFLK-SNVBAGLBSA-N -1 0 318.289 -0.038 20 0 DBADRM O=C([O-])CCN(Cc1ccncc1)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001602008719 1017911690 /nfs/dbraw/zinc/91/16/90/1017911690.db2.gz ZZBRNBMIXJNUSN-NSHDSACASA-N -1 0 319.317 -0.062 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CCCS(=O)(=O)CC2)C1=O ZINC001602009376 1017912798 /nfs/dbraw/zinc/91/27/98/1017912798.db2.gz FMTAFXREQUFJAK-JTQLQIEISA-N -1 0 304.368 -0.818 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001602015852 1017913366 /nfs/dbraw/zinc/91/33/66/1017913366.db2.gz DUVHRQCWAIQAGI-SECBINFHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CCN3C(=O)OCC[C@@H]3C2)C1=O ZINC001602014900 1017914780 /nfs/dbraw/zinc/91/47/80/1017914780.db2.gz GOKOOLNSGUMSMV-MNOVXSKESA-N -1 0 311.338 -0.412 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CCc3n[nH]c(=O)cc3C2)C1=O ZINC001602016778 1017915055 /nfs/dbraw/zinc/91/50/55/1017915055.db2.gz QKFOZRCDXJSOMI-LLVKDONJSA-N -1 0 306.322 -0.384 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001602017125 1017915314 /nfs/dbraw/zinc/91/53/14/1017915314.db2.gz XBJRLQGTCRUKKZ-VIFPVBQESA-N -1 0 320.367 -0.949 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)[C@H]2CCNC(=O)CC2)C1=O ZINC001602015072 1017916732 /nfs/dbraw/zinc/91/67/32/1017916732.db2.gz IWTBASSMSGDFFY-NXEZZACHSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCOCC2(CC2)C1 ZINC001602018729 1017919616 /nfs/dbraw/zinc/91/96/16/1017919616.db2.gz FNPYEYABJDYYPX-UHFFFAOYSA-N -1 0 313.354 -0.211 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1C[C@H](O)CC(F)(F)C1 ZINC001602018205 1017919936 /nfs/dbraw/zinc/91/99/36/1017919936.db2.gz RUZRBIDSCJLYTQ-MRVPVSSYSA-N -1 0 323.296 -0.621 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC001602019713 1017919981 /nfs/dbraw/zinc/91/99/81/1017919981.db2.gz OPKIMEUWQSEGJQ-WDEREUQCSA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCCO[C@H]1CC1(F)F ZINC001602019500 1017920965 /nfs/dbraw/zinc/92/09/65/1017920965.db2.gz MCQBKLXWCSJABF-QMMMGPOBSA-N -1 0 323.296 -0.309 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NO[C@@H]1CCCCO1 ZINC001602020885 1017921615 /nfs/dbraw/zinc/92/16/15/1017921615.db2.gz TZTDVJMSHKXTOG-LLVKDONJSA-N -1 0 303.315 -0.275 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=S)NC[C@@H]1CCCO1 ZINC001602020366 1017921885 /nfs/dbraw/zinc/92/18/85/1017921885.db2.gz UDPOBVDSYZXDSK-VIFPVBQESA-N -1 0 303.384 -0.390 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC001602021522 1017922541 /nfs/dbraw/zinc/92/25/41/1017922541.db2.gz LCLCBIJEOTYKJL-LLVKDONJSA-N -1 0 320.301 -0.352 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC001602020206 1017922768 /nfs/dbraw/zinc/92/27/68/1017922768.db2.gz UIQVHSNLGOAMSW-NXEZZACHSA-N -1 0 301.343 -0.572 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCc2nc[nH]c2C12CCOCC2 ZINC001602021290 1017923908 /nfs/dbraw/zinc/92/39/08/1017923908.db2.gz BKFNOIYVXXSSKO-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCc1cccc(CO)c1 ZINC001602020297 1017924244 /nfs/dbraw/zinc/92/42/44/1017924244.db2.gz FZKYLEZODQOIFQ-UHFFFAOYSA-N -1 0 323.349 -0.041 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1ccnn1CC(F)F ZINC001602022073 1017925195 /nfs/dbraw/zinc/92/51/95/1017925195.db2.gz UWGVQDVMSOXDTC-UHFFFAOYSA-N -1 0 305.237 -0.104 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](CO)[C@H]2CO)O1 ZINC001602034089 1017925866 /nfs/dbraw/zinc/92/58/66/1017925866.db2.gz CXXYTPWCASKUHC-WUHRBBMRSA-N -1 0 315.366 -0.009 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)O1 ZINC001602037826 1017926656 /nfs/dbraw/zinc/92/66/56/1017926656.db2.gz TXVDLRYDBNUADX-KXUCPTDWSA-N -1 0 305.352 -0.298 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)O1 ZINC001602034429 1017927048 /nfs/dbraw/zinc/92/70/48/1017927048.db2.gz UDTWOKIBADXKRI-HBNTYKKESA-N -1 0 324.333 -0.195 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCc2nnc3n2CCOC3)O1 ZINC001602036250 1017927926 /nfs/dbraw/zinc/92/79/26/1017927926.db2.gz QDBGTTRLMNZTOF-VHSXEESVSA-N -1 0 324.337 -0.163 20 0 DBADRM O=C([O-])CCc1ccccc1C(=O)N1CC2(C1)NC(=O)NC2=O ZINC001602044062 1017928567 /nfs/dbraw/zinc/92/85/67/1017928567.db2.gz JBZLNEYREAMEJR-UHFFFAOYSA-N -1 0 317.301 -0.262 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)O1 ZINC001602034428 1017929162 /nfs/dbraw/zinc/92/91/62/1017929162.db2.gz UDTWOKIBADXKRI-GARJFASQSA-N -1 0 324.333 -0.195 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001602054924 1017930106 /nfs/dbraw/zinc/93/01/06/1017930106.db2.gz PEUDVNIELXDBPU-XQQFMLRXSA-N -1 0 324.377 -0.153 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)Cc1ccncc1 ZINC001602054931 1017931871 /nfs/dbraw/zinc/93/18/71/1017931871.db2.gz PVNSMLKFGKWAMN-UHFFFAOYSA-N -1 0 307.350 -0.131 20 0 DBADRM O=C([O-])CN(Cc1ccccc1)C(=O)CN1CCNC(=O)C1 ZINC001602059902 1017932797 /nfs/dbraw/zinc/93/27/97/1017932797.db2.gz OGBYFLDWDIPEFV-UHFFFAOYSA-N -1 0 305.334 -0.468 20 0 DBADRM O=C([O-])CN(CCC(F)(F)F)C(=O)C[C@H]1CC(=O)NC1=O ZINC001602052907 1017932811 /nfs/dbraw/zinc/93/28/11/1017932811.db2.gz CRUVYBURXDXBJE-ZCFIWIBFSA-N -1 0 310.228 -0.095 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)CC1CCC1 ZINC001602055544 1017933781 /nfs/dbraw/zinc/93/37/81/1017933781.db2.gz OYLLNFQSRZDXKY-UHFFFAOYSA-N -1 0 320.411 -0.165 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)C1CN(CC(F)F)C1 ZINC001602063963 1017934447 /nfs/dbraw/zinc/93/44/47/1017934447.db2.gz JCGJJQALHBMYFM-SECBINFHSA-N -1 0 319.308 -0.625 20 0 DBADRM O=C([O-])CN1CCN(C(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001602063356 1017934961 /nfs/dbraw/zinc/93/49/61/1017934961.db2.gz QPGQGMFUSQKKHC-LLVKDONJSA-N -1 0 318.395 -0.570 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCn2ccnc2C1 ZINC001602064544 1017935034 /nfs/dbraw/zinc/93/50/34/1017935034.db2.gz ZJAGBBIIAZADSH-QWRGUYRKSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C[C@H]1CCCS(=O)(=O)C1 ZINC001602065982 1017936047 /nfs/dbraw/zinc/93/60/47/1017936047.db2.gz ASRCHMNKOLJKLB-GHMZBOCLSA-N -1 0 318.395 -0.524 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@]1([C@@H]2CCCCO2)CCCO1 ZINC001602065976 1017936546 /nfs/dbraw/zinc/93/65/46/1017936546.db2.gz NCGQKNMFUKWOJD-HZMBPMFUSA-N -1 0 314.338 -0.578 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)CCc1ncccn1 ZINC001602065438 1017936925 /nfs/dbraw/zinc/93/69/25/1017936925.db2.gz HIOZKYCDQHGQAB-JTQLQIEISA-N -1 0 306.322 -0.399 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)/C=C\Cn1cncn1 ZINC001602064276 1017937712 /nfs/dbraw/zinc/93/77/12/1017937712.db2.gz NPIJUOGOYRDBGA-GQPNGRKGSA-N -1 0 307.310 -0.974 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC001602066016 1017938389 /nfs/dbraw/zinc/93/83/89/1017938389.db2.gz NNBSSTKJCSCJPI-VIFPVBQESA-N -1 0 323.280 -0.432 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001602068624 1017939146 /nfs/dbraw/zinc/93/91/46/1017939146.db2.gz RXKQRABHMLDFRA-XQQFMLRXSA-N -1 0 311.382 -0.485 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1CC(=O)Nc1ccncc1 ZINC001602066586 1017940398 /nfs/dbraw/zinc/94/03/98/1017940398.db2.gz DHPFHMDAUCTTMK-LLVKDONJSA-N -1 0 306.322 -0.893 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC001602066540 1017942332 /nfs/dbraw/zinc/94/23/32/1017942332.db2.gz VDBIYQGTHDHUIB-ZETCQYMHSA-N -1 0 311.260 -0.812 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1S(=O)(=O)Cc1ccon1 ZINC001602067511 1017942375 /nfs/dbraw/zinc/94/23/75/1017942375.db2.gz KGHMDZMHQWTOKN-SECBINFHSA-N -1 0 317.323 -0.830 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Cc1ccc(-n2cnnc2)cc1 ZINC001602069086 1017942731 /nfs/dbraw/zinc/94/27/31/1017942731.db2.gz JHDUYRPLHZXONE-UHFFFAOYSA-N -1 0 317.305 -0.873 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)NCCF)cc1 ZINC001602073121 1017943468 /nfs/dbraw/zinc/94/34/68/1017943468.db2.gz VAIIUAQBOIOKMV-UHFFFAOYSA-N -1 0 311.269 -0.475 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)CC=C(Cl)Cl ZINC001602070848 1017944009 /nfs/dbraw/zinc/94/40/09/1017944009.db2.gz JYRGXBBYGCTACW-UHFFFAOYSA-N -1 0 305.139 -0.574 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC001602069815 1017944165 /nfs/dbraw/zinc/94/41/65/1017944165.db2.gz GNPHATBIYSAYAT-UHFFFAOYSA-N -1 0 322.243 -0.234 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccn(-c2cccc(F)c2)n1 ZINC001602069758 1017944516 /nfs/dbraw/zinc/94/45/16/1017944516.db2.gz BPWULJHSLHXBMM-UHFFFAOYSA-N -1 0 320.280 -0.058 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccc(-n2cc[nH]c2=O)c1 ZINC001602069833 1017944538 /nfs/dbraw/zinc/94/45/38/1017944538.db2.gz HJRLXORQGFBXOU-UHFFFAOYSA-N -1 0 318.289 -0.492 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccccc1N1CCOCC1 ZINC001602070062 1017944958 /nfs/dbraw/zinc/94/49/58/1017944958.db2.gz PNQIFMXOAUXXHJ-UHFFFAOYSA-N -1 0 321.333 -0.546 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001602070463 1017945722 /nfs/dbraw/zinc/94/57/22/1017945722.db2.gz FESYODSYUAQPEW-NKWVEPMBSA-N -1 0 312.244 -0.197 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1cccc2c1OCO2 ZINC001602077609 1017947588 /nfs/dbraw/zinc/94/75/88/1017947588.db2.gz DQEISAVKPRHUPR-UHFFFAOYSA-N -1 0 310.262 -0.429 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC001602078565 1017947939 /nfs/dbraw/zinc/94/79/39/1017947939.db2.gz BXIPCEANCGJWBF-GFCCVEGCSA-N -1 0 315.370 -0.406 20 0 DBADRM O=C([O-])COCCNC(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1 ZINC001602078779 1017949224 /nfs/dbraw/zinc/94/92/24/1017949224.db2.gz OSQKIXNIUNVILZ-WDEREUQCSA-N -1 0 317.338 -0.096 20 0 DBADRM O=C([O-])COCC(=O)N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC001602076838 1017949249 /nfs/dbraw/zinc/94/92/49/1017949249.db2.gz XDYVPURJKSSDGJ-SECBINFHSA-N -1 0 311.294 -0.052 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC001602077585 1017950745 /nfs/dbraw/zinc/95/07/45/1017950745.db2.gz CCCDEKFJBZEEGA-UHFFFAOYSA-N -1 0 306.278 -0.281 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)C[C@H]1CC2(CCC2)CO1 ZINC001602080617 1017951650 /nfs/dbraw/zinc/95/16/50/1017951650.db2.gz LNLVKLVYJHVELC-SNVBAGLBSA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N2CC(CCO)C2)cc1 ZINC001602084257 1017952657 /nfs/dbraw/zinc/95/26/57/1017952657.db2.gz LYRORICDEAAQKE-UHFFFAOYSA-N -1 0 322.317 -0.071 20 0 DBADRM O=C([O-])COCCNC(=O)NCCNC(=O)c1cccnc1 ZINC001602079976 1017953000 /nfs/dbraw/zinc/95/30/00/1017953000.db2.gz SEGLSCUBOUKVEZ-UHFFFAOYSA-N -1 0 310.310 -0.788 20 0 DBADRM O=C([O-])COCCNC(=O)NCCOc1ncccc1F ZINC001602079840 1017954024 /nfs/dbraw/zinc/95/40/24/1017954024.db2.gz JLKNTLIYSWEVST-UHFFFAOYSA-N -1 0 301.274 0.000 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)CCOCC(F)(F)F ZINC001602080355 1017954251 /nfs/dbraw/zinc/95/42/51/1017954251.db2.gz AKBRDLLXAKENAH-UHFFFAOYSA-N -1 0 309.262 -0.414 20 0 DBADRM O=C([O-])CSCCNC(=O)N[C@@H](CO)C1CCOCC1 ZINC001602100356 1017955510 /nfs/dbraw/zinc/95/55/10/1017955510.db2.gz NWJWDIIFPRFTIY-JTQLQIEISA-N -1 0 306.384 -0.109 20 0 DBADRM O=C([O-])CSCCNS(=O)(=O)N=S1(=O)CCCC1 ZINC001602099784 1017955606 /nfs/dbraw/zinc/95/56/06/1017955606.db2.gz KJUAWXFQMSNPJE-UHFFFAOYSA-N -1 0 316.426 -0.100 20 0 DBADRM O=C([O-])CSCCNC(=O)CN1CCN(C2CC2)C1=O ZINC001602099159 1017955702 /nfs/dbraw/zinc/95/57/02/1017955702.db2.gz GOTYZDNBPNGDGO-UHFFFAOYSA-N -1 0 301.368 -0.180 20 0 DBADRM O=C([O-])CSCCC(=O)NC[C@H](O)CN1CCCC1=O ZINC001602101142 1017956033 /nfs/dbraw/zinc/95/60/33/1017956033.db2.gz NSGXQKACUGLFIF-VIFPVBQESA-N -1 0 304.368 -0.706 20 0 DBADRM O=C([O-])Cc1cccc(C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)c1 ZINC001602133281 1017956249 /nfs/dbraw/zinc/95/62/49/1017956249.db2.gz WZIXMBBHLPCCFD-GFCCVEGCSA-N -1 0 318.329 -0.363 20 0 DBADRM O=C([O-])Cc1cccc(C(=O)NCC(=O)N2CCOCC2)c1 ZINC001602132430 1017957118 /nfs/dbraw/zinc/95/71/18/1017957118.db2.gz KABLMELDKXKFOS-UHFFFAOYSA-N -1 0 306.318 -0.098 20 0 DBADRM O=C([O-])Cc1occc1C(=O)NCC12COCCN1CCOC2 ZINC001602155277 1017958989 /nfs/dbraw/zinc/95/89/89/1017958989.db2.gz BSKOWPZFFZBGOZ-UHFFFAOYSA-N -1 0 324.333 -0.262 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)C(=O)N1CC(CO)C1 ZINC001602142740 1017959116 /nfs/dbraw/zinc/95/91/16/1017959116.db2.gz FZZVYRWNHKOSSK-UHFFFAOYSA-N -1 0 306.318 -0.619 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)C(=O)N1CCC[C@H](O)C1 ZINC001602142530 1017960194 /nfs/dbraw/zinc/96/01/94/1017960194.db2.gz AWSUTICFGKEXMB-ZDUSSCGKSA-N -1 0 320.345 -0.087 20 0 DBADRM O=C([O-])Cn1cc(CCN2CC[C@@](O)(C(F)(F)F)C2)nn1 ZINC001602159109 1017960900 /nfs/dbraw/zinc/96/09/00/1017960900.db2.gz ICBIEJSVDPTFIU-JTQLQIEISA-N -1 0 308.260 -0.096 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)c2cc3c(cn2)OCCO3)n[nH]1 ZINC001602153663 1017960991 /nfs/dbraw/zinc/96/09/91/1017960991.db2.gz KMFQSMKVUWLEQJ-UHFFFAOYSA-N -1 0 305.250 -0.150 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@H]2CNC(=O)c3ccccc32)n[nH]1 ZINC001602154223 1017962288 /nfs/dbraw/zinc/96/22/88/1017962288.db2.gz GECRRTHBJOTDMS-VIFPVBQESA-N -1 0 315.289 -0.103 20 0 DBADRM O=C([O-])Cn1cc(CN2CCN(c3ncccn3)CC2)nn1 ZINC001602162436 1017963788 /nfs/dbraw/zinc/96/37/88/1017963788.db2.gz CRBFBRBMBIAXDL-UHFFFAOYSA-N -1 0 303.326 -0.525 20 0 DBADRM O=C([O-])Cn1cc(CN2CC(CNC(=O)C(F)(F)F)C2)nn1 ZINC001602161114 1017964644 /nfs/dbraw/zinc/96/46/44/1017964644.db2.gz PGUPMQNZPJSXBO-UHFFFAOYSA-N -1 0 321.259 -0.527 20 0 DBADRM O=C([O-])Cn1cc(CN2C(=O)C[C@@]3(CCSC3)C2=O)nn1 ZINC001602161173 1017966037 /nfs/dbraw/zinc/96/60/37/1017966037.db2.gz SFBOMASNZMTMJM-GFCCVEGCSA-N -1 0 310.335 -0.255 20 0 DBADRM O=C([O-])Cn1cc(CCN2C(=O)[C@@H]3CSCN3C2=O)nn1 ZINC001602159394 1017966327 /nfs/dbraw/zinc/96/63/27/1017966327.db2.gz LVLDGECSLGMKLV-QMMMGPOBSA-N -1 0 311.323 -0.758 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)c2ncnc3[nH]ccc32)nn1 ZINC001602161544 1017966431 /nfs/dbraw/zinc/96/64/31/1017966431.db2.gz ZLMKWUYSGLKQGA-UHFFFAOYSA-N -1 0 316.277 -0.015 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2COC[C@@H]2C2CC2)cn1 ZINC001602163996 1017969771 /nfs/dbraw/zinc/96/97/71/1017969771.db2.gz JLSVISHJDPZJKT-GHMZBOCLSA-N -1 0 315.351 -0.329 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2COC[C@H]2C2CC2)cn1 ZINC001602163998 1017970120 /nfs/dbraw/zinc/97/01/20/1017970120.db2.gz JLSVISHJDPZJKT-QWRGUYRKSA-N -1 0 315.351 -0.329 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C[C@@H]2CCCS2(=O)=O)n1 ZINC001602164669 1017970278 /nfs/dbraw/zinc/97/02/78/1017970278.db2.gz QCTWJHQCOJTNQN-QMMMGPOBSA-N -1 0 301.324 -0.127 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001602197245 1017973092 /nfs/dbraw/zinc/97/30/92/1017973092.db2.gz AAGHTIQKCMNCQR-GOVZDWNOSA-N -1 0 321.333 -0.362 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC001602191979 1017973257 /nfs/dbraw/zinc/97/32/57/1017973257.db2.gz ZELXQTJQKNCBIL-FOGDFJRCSA-N -1 0 322.317 -0.326 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC001602191830 1017974233 /nfs/dbraw/zinc/97/42/33/1017974233.db2.gz VETGIWMWCCDOLJ-ADEWGFFLSA-N -1 0 305.290 -0.379 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001602191916 1017974324 /nfs/dbraw/zinc/97/43/24/1017974324.db2.gz XQEQPCSIDSJFMK-HLTSFMKQSA-N -1 0 310.272 -0.083 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCOC[C@@H]2C[C@H]2CCOC2)C(=O)O1 ZINC001602188093 1017974858 /nfs/dbraw/zinc/97/48/58/1017974858.db2.gz GSTVCSAHNXZMOR-WOPDTQHZSA-N -1 0 314.338 -0.023 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNS(=O)(=O)N2CCCOCC2)C1(F)F ZINC001602206141 1017975869 /nfs/dbraw/zinc/97/58/69/1017975869.db2.gz GDRNWKYBKWRCIZ-YUMQZZPRSA-N -1 0 314.310 -0.491 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1ccccn1 ZINC001602199197 1017975991 /nfs/dbraw/zinc/97/59/91/1017975991.db2.gz FRQHHDPRDHRZPG-WPRPVWTQSA-N -1 0 318.289 -0.699 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1Cc1cccc(F)n1 ZINC001602197944 1017976032 /nfs/dbraw/zinc/97/60/32/1017976032.db2.gz XQNNUBWFUVRYTC-UWVGGRQHSA-N -1 0 322.296 -0.200 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)[C@@H]3CC34CCS(=O)(=O)CC4)C[C@@H]21 ZINC001602206164 1017976249 /nfs/dbraw/zinc/97/62/49/1017976249.db2.gz HIAOXVUAXDRYSI-ZRUFSTJUSA-N -1 0 313.375 -0.010 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)C1CCCC1 ZINC001602197503 1017976403 /nfs/dbraw/zinc/97/64/03/1017976403.db2.gz IPRPABSCKNFNSW-UWVGGRQHSA-N -1 0 309.322 -0.218 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)C[C@@H]21 ZINC001602206810 1017976496 /nfs/dbraw/zinc/97/64/96/1017976496.db2.gz VEGSCEKYVQZHLV-HMUNZLOLSA-N -1 0 318.333 -0.795 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CN1C(=O)N[C@H]([C@@H]2CCCOC2)C1=O ZINC001602202307 1017976782 /nfs/dbraw/zinc/97/67/82/1017976782.db2.gz QYSRASACQDXDJQ-GWOFURMSSA-N -1 0 312.322 -0.177 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCC[C@H]1CCOC1 ZINC001602202753 1017977019 /nfs/dbraw/zinc/97/70/19/1017977019.db2.gz DWMRTEZPCAAYTB-GARJFASQSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC001602201991 1017977340 /nfs/dbraw/zinc/97/73/40/1017977340.db2.gz KBDIAEDGXUFYCQ-HRDYMLBCSA-N -1 0 308.281 -0.112 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001602202652 1017978370 /nfs/dbraw/zinc/97/83/70/1017978370.db2.gz XFSJRDBCQOPMDF-CHWFTXMASA-N -1 0 300.311 -0.715 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCCn2ccc(=O)[nH]c2=O)on1 ZINC001602246156 1017982505 /nfs/dbraw/zinc/98/25/05/1017982505.db2.gz HKEOZVWNBLWKAL-UHFFFAOYSA-N -1 0 308.250 -0.545 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)on1 ZINC001602243056 1017982853 /nfs/dbraw/zinc/98/28/53/1017982853.db2.gz HFSWGDHWKQUTDF-UHFFFAOYSA-N -1 0 306.282 -0.551 20 0 DBADRM O=C([O-])c1c(F)cccc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 ZINC001602232013 1017983006 /nfs/dbraw/zinc/98/30/06/1017983006.db2.gz ZOWGBQFEVYWBLB-YUMQZZPRSA-N -1 0 305.283 -0.750 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H](CO)CC2)n[nH]1 ZINC001602292251 1017986554 /nfs/dbraw/zinc/98/65/54/1017986554.db2.gz ZFEQBHQSJKGFIH-MRVPVSSYSA-N -1 0 303.340 -0.109 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NS(=O)(=O)C1COC1 ZINC001602307605 1017987159 /nfs/dbraw/zinc/98/71/59/1017987159.db2.gz BPQKGFCHSOTYFT-QMMMGPOBSA-N -1 0 301.324 -0.266 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H]2C(=O)NCC23CCOCC3)nc1 ZINC001602319278 1017987189 /nfs/dbraw/zinc/98/71/89/1017987189.db2.gz AHHQSJAOKQYDRD-LLVKDONJSA-N -1 0 319.317 -0.195 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CCC(Cn3ccnn3)CC2)n1 ZINC001602313501 1017987476 /nfs/dbraw/zinc/98/74/76/1017987476.db2.gz NDNAMIGVKFYVKE-UHFFFAOYSA-N -1 0 318.337 -0.097 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)[nH]1 ZINC001602318755 1017988123 /nfs/dbraw/zinc/98/81/23/1017988123.db2.gz OHTJOHCSKUOEHT-MNOVXSKESA-N -1 0 307.306 -0.168 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCO[C@H]2CCCCO2)n[nH]1 ZINC001602295869 1017988397 /nfs/dbraw/zinc/98/83/97/1017988397.db2.gz BIYLVDVADZWGHE-JTQLQIEISA-N -1 0 319.339 -0.071 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CNOC2)cc(F)c1F ZINC001602297285 1017988965 /nfs/dbraw/zinc/98/89/65/1017988965.db2.gz WWUXUPKCBIGNBW-YFKPBYRVSA-N -1 0 308.262 -0.155 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC2CC(CO)(CO)C2)cs1 ZINC001602295092 1017989361 /nfs/dbraw/zinc/98/93/61/1017989361.db2.gz WHHBKXYGLBFARQ-UHFFFAOYSA-N -1 0 321.376 -0.142 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2cccnc2)[nH]1 ZINC001602320800 1017989850 /nfs/dbraw/zinc/98/98/50/1017989850.db2.gz LXFLXLYZDQGODB-RYUDHWBXSA-N -1 0 305.290 -0.068 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC001602313372 1017990349 /nfs/dbraw/zinc/99/03/49/1017990349.db2.gz DNGHCYRTOGMXQC-JTQLQIEISA-N -1 0 307.228 -0.102 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCN2CCS(=O)(=O)CC2)o1 ZINC001602322227 1017991371 /nfs/dbraw/zinc/99/13/71/1017991371.db2.gz ARFDDZSEFSPWIL-UHFFFAOYSA-N -1 0 316.335 -0.562 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@@]2(CO)COCCN2)c(F)c1 ZINC001602321596 1017991667 /nfs/dbraw/zinc/99/16/67/1017991667.db2.gz GYIKGDCEPMBJIL-CQSZACIVSA-N -1 0 312.297 -0.395 20 0 DBADRM O=C([O-])c1ccc(C(=O)NN2CCS(=O)(=O)CC2)s1 ZINC001602323629 1017992075 /nfs/dbraw/zinc/99/20/75/1017992075.db2.gz NZHJEDIKKACSOY-UHFFFAOYSA-N -1 0 304.349 -0.179 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N2CC3(C2)C[C@H](O)CNC3=O)cc1 ZINC001602332836 1017992396 /nfs/dbraw/zinc/99/23/96/1017992396.db2.gz IFQHUJCAJVFYGA-LBPRGKRZSA-N -1 0 318.329 -0.363 20 0 DBADRM O=C([O-])c1cccc(C(=O)NCCNC(=O)c2cnccn2)n1 ZINC001602433076 1017993258 /nfs/dbraw/zinc/99/32/58/1017993258.db2.gz FTLBORILZQVJJP-UHFFFAOYSA-N -1 0 315.289 -0.270 20 0 DBADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001602415675 1017993523 /nfs/dbraw/zinc/99/35/23/1017993523.db2.gz OTCCFAORFQFZSE-GFCCVEGCSA-N -1 0 324.358 -0.039 20 0 DBADRM O=C([O-])c1ccc2c(=O)[nH]c(CN3C[C@H](O)[C@@H](O)C3)nc2c1 ZINC001602418799 1017994617 /nfs/dbraw/zinc/99/46/17/1017994617.db2.gz UHNUAJITLNRMPY-QWRGUYRKSA-N -1 0 305.290 -0.429 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCC2(CO)COC2)cn1 ZINC001602399685 1017994773 /nfs/dbraw/zinc/99/47/73/1017994773.db2.gz KRLQHJVYGNPEGP-UHFFFAOYSA-N -1 0 302.308 -0.933 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)c(F)c1 ZINC001602401353 1017996338 /nfs/dbraw/zinc/99/63/38/1017996338.db2.gz IMJVWKXSTSMXRK-NXEZZACHSA-N -1 0 319.310 -0.048 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2COCCN2)c(F)c1 ZINC001602398801 1017996638 /nfs/dbraw/zinc/99/66/38/1017996638.db2.gz LWDVPDVTVSJXSL-SECBINFHSA-N -1 0 318.326 -0.209 20 0 DBADRM O=C([O-])c1csc(SCC(=O)N2CCNC(=O)C2)n1 ZINC001602649904 1018031474 /nfs/dbraw/zinc/03/14/74/1018031474.db2.gz PCBPKZLQVCMVOE-UHFFFAOYSA-N -1 0 301.349 -0.108 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2C[C@H](O)CC3(CCOCC3)C2)n1 ZINC001602476498 1017997713 /nfs/dbraw/zinc/99/77/13/1017997713.db2.gz DEXGJQAUZIGYCT-LLVKDONJSA-N -1 0 323.349 -0.029 20 0 DBADRM O=C([O-])c1ccccc1CC(=O)N1CCN(C(=O)CO)CC1 ZINC001602465241 1017998180 /nfs/dbraw/zinc/99/81/80/1017998180.db2.gz BOZIDEBAAHGNOF-UHFFFAOYSA-N -1 0 306.318 -0.410 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCN([C@@H]3CCOC3)CC2)n1 ZINC001602477108 1018000026 /nfs/dbraw/zinc/00/00/26/1018000026.db2.gz AUSWQMACQAYVHD-LLVKDONJSA-N -1 0 308.338 -0.486 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CC(F)(F)C[C@@H]2CO)c1=O ZINC001602476818 1018000092 /nfs/dbraw/zinc/00/00/92/1018000092.db2.gz YIASHCNUWFHTPM-MRVPVSSYSA-N -1 0 316.260 -0.225 20 0 DBADRM O=C([O-])c1ccccc1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001602464719 1018000170 /nfs/dbraw/zinc/00/01/70/1018000170.db2.gz CJJPHKPKOROOFM-JTQLQIEISA-N -1 0 303.274 -0.239 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCN(c3nc[nH]n3)CC2)n1 ZINC001602477178 1018000369 /nfs/dbraw/zinc/00/03/69/1018000369.db2.gz FVLFDMZEJANMMO-UHFFFAOYSA-N -1 0 305.298 -0.952 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCSC[C@H]2CO)c1=O ZINC001602476320 1018000383 /nfs/dbraw/zinc/00/03/83/1018000383.db2.gz RNTAEPYGLJQFAG-SECBINFHSA-N -1 0 312.347 -0.517 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N1C[C@H](CO)[C@H](CCO)C1 ZINC001602488011 1018001185 /nfs/dbraw/zinc/00/11/85/1018001185.db2.gz PTMBDBNPAVEKAH-RKDXNWHRSA-N -1 0 319.335 -0.411 20 0 DBADRM O=C([O-])c1ccnc(C(=O)NC[C@]2(OCCO)CCOC2)c1 ZINC001602479240 1018001365 /nfs/dbraw/zinc/00/13/65/1018001365.db2.gz OIBWGPHMFCIAGX-CQSZACIVSA-N -1 0 310.306 -0.322 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)c1 ZINC001602478042 1018002550 /nfs/dbraw/zinc/00/25/50/1018002550.db2.gz PCNMRZKKSLLKAJ-RYUDHWBXSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1ccoc1CN1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001602485918 1018002713 /nfs/dbraw/zinc/00/27/13/1018002713.db2.gz HUHLUHXAGWTJSV-QMMMGPOBSA-N -1 0 301.324 -0.688 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)N2CCS(=O)(=O)CCO2)c1 ZINC001602482261 1018002764 /nfs/dbraw/zinc/00/27/64/1018002764.db2.gz CSWQYWDFWSCFSQ-UHFFFAOYSA-N -1 0 315.307 -0.026 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001602488009 1018003075 /nfs/dbraw/zinc/00/30/75/1018003075.db2.gz PTMBDBNPAVEKAH-DTWKUNHWSA-N -1 0 319.335 -0.411 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NCCNc2ncccn2)c1 ZINC001602487034 1018003546 /nfs/dbraw/zinc/00/35/46/1018003546.db2.gz ZRNBYXAWCPMJRO-UHFFFAOYSA-N -1 0 323.334 -0.040 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N2CCn3ncnc3C2)n1 ZINC001602478083 1018003618 /nfs/dbraw/zinc/00/36/18/1018003618.db2.gz OEGWSGODSDIXDI-UHFFFAOYSA-N -1 0 304.310 -0.005 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)NCCn3cncn3)C2)nn1 ZINC001602498341 1018004537 /nfs/dbraw/zinc/00/45/37/1018004537.db2.gz HPANLVIYNXROMT-VIFPVBQESA-N -1 0 320.313 -0.776 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(S(=O)(=O)N3CCCC3)C2)nn1 ZINC001602500827 1018005276 /nfs/dbraw/zinc/00/52/76/1018005276.db2.gz SKPPKYFNMOTLCU-VIFPVBQESA-N -1 0 315.355 -0.436 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)C3(O)CCOCC3)CC2)nn1 ZINC001602493179 1018005488 /nfs/dbraw/zinc/00/54/88/1018005488.db2.gz FVGJUIPPTLNWAY-UHFFFAOYSA-N -1 0 324.337 -0.319 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)c3ccnc(CO)c3)C2)nn1 ZINC001602498460 1018005556 /nfs/dbraw/zinc/00/55/56/1018005556.db2.gz MNBFUSBEOMTXGR-LLVKDONJSA-N -1 0 317.305 -0.049 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(CC(=O)N3CCOCC3)C2)nn1 ZINC001602495210 1018005896 /nfs/dbraw/zinc/00/58/96/1018005896.db2.gz PMVBVXWOPOQCGE-NSHDSACASA-N -1 0 323.353 -0.528 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)CN3CCOCC3)CC2)nn1 ZINC001602493475 1018006114 /nfs/dbraw/zinc/00/61/14/1018006114.db2.gz UCEFDAGJRKRKOA-UHFFFAOYSA-N -1 0 323.353 -0.528 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CCc3cncnc3)C2)nn1 ZINC001602502022 1018006650 /nfs/dbraw/zinc/00/66/50/1018006650.db2.gz PKVGTVKWXHGHGQ-UHFFFAOYSA-N -1 0 302.294 -0.218 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2cccn3c(=O)[nH]nc23)nn1 ZINC001602502602 1018007483 /nfs/dbraw/zinc/00/74/83/1018007483.db2.gz DDGDVMAPXLDSHU-UHFFFAOYSA-N -1 0 317.265 -0.845 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC(=O)N(CC3CC3)C2)nn1 ZINC001602503505 1018007731 /nfs/dbraw/zinc/00/77/31/1018007731.db2.gz JGBBSPMZOHBBOP-UHFFFAOYSA-N -1 0 322.325 -0.802 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2cnc3n2CCCC3)nn1 ZINC001602503372 1018008799 /nfs/dbraw/zinc/00/87/99/1018008799.db2.gz SSTAWIFORNNBJD-UHFFFAOYSA-N -1 0 304.310 -0.061 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC(N3CN=NC3=O)CC2)nn1 ZINC001602503168 1018009123 /nfs/dbraw/zinc/00/91/23/1018009123.db2.gz VJCYKJYUSXCKDB-UHFFFAOYSA-N -1 0 321.297 -0.863 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001602507501 1018009421 /nfs/dbraw/zinc/00/94/21/1018009421.db2.gz DOYKXUZOMYGGAX-YUMQZZPRSA-N -1 0 318.330 -0.475 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cn1 ZINC001602508794 1018009942 /nfs/dbraw/zinc/00/99/42/1018009942.db2.gz OKQLLKRRNBTMQT-VHSXEESVSA-N -1 0 306.322 -0.544 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCOC1CCOCC1 ZINC001602506706 1018010138 /nfs/dbraw/zinc/01/01/38/1018010138.db2.gz MPYAKCXPSCEGIK-UHFFFAOYSA-N -1 0 319.339 -0.418 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@H](O)C1CCOCC1 ZINC001602506594 1018010938 /nfs/dbraw/zinc/01/09/38/1018010938.db2.gz GBXRNIGYZWBHGS-VIFPVBQESA-N -1 0 319.339 -0.826 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC001602507607 1018011454 /nfs/dbraw/zinc/01/14/54/1018011454.db2.gz RHURUSWSMLBKIL-CHWSQXEVSA-N -1 0 320.349 -0.154 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCC[C@@]12CCOC2=O ZINC001602508045 1018011582 /nfs/dbraw/zinc/01/15/82/1018011582.db2.gz WNQYRKCDJLQAKF-NSHDSACASA-N -1 0 315.307 -0.422 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H](NC(=O)[C@H]3CC34CC4)[C@@H](O)C2)nc1 ZINC001602528064 1018012695 /nfs/dbraw/zinc/01/26/95/1018012695.db2.gz QVMJIGQKCQSYNO-MXWKQRLJSA-N -1 0 318.333 -0.359 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](NC(=O)c2cn[nH]n2)C2CC2)nc1 ZINC001602529795 1018012799 /nfs/dbraw/zinc/01/27/99/1018012799.db2.gz KYGULGZZRHLIRB-SECBINFHSA-N -1 0 317.309 -0.087 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)c2cncnc2)nc1 ZINC001602530664 1018012920 /nfs/dbraw/zinc/01/29/20/1018012920.db2.gz RLZNUJJSEWHJNX-JTQLQIEISA-N -1 0 318.293 -0.832 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)c3ccnnc3)C2)nc1 ZINC001602525147 1018013217 /nfs/dbraw/zinc/01/32/17/1018013217.db2.gz GLZIEZRRLBTOAE-LLVKDONJSA-N -1 0 314.305 -0.027 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)[C@H]2CC2(F)F)nc1 ZINC001602530318 1018013304 /nfs/dbraw/zinc/01/33/04/1018013304.db2.gz QBEBEMSBXUCRGA-JGVFFNPUSA-N -1 0 316.264 -0.281 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)c3nnc[nH]3)C2)nc1 ZINC001602525765 1018013718 /nfs/dbraw/zinc/01/37/18/1018013718.db2.gz LIWVVKJNKNFGND-MRVPVSSYSA-N -1 0 303.282 -0.698 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)c3cnon3)C2)nc1 ZINC001602526870 1018014644 /nfs/dbraw/zinc/01/46/44/1018014644.db2.gz CFFKJZABOXJSRL-MRVPVSSYSA-N -1 0 304.266 -0.434 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCO[C@@H](C(=O)C3CC3)C2)c1 ZINC001602545557 1018015499 /nfs/dbraw/zinc/01/54/99/1018015499.db2.gz UTNMMXLEKZQBMB-LLVKDONJSA-N -1 0 307.306 -0.212 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCN(Cc3nc[nH]n3)CC2)c1 ZINC001602545146 1018015741 /nfs/dbraw/zinc/01/57/41/1018015741.db2.gz NTUDOQTWYCELGQ-UHFFFAOYSA-N -1 0 319.325 -0.956 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N[C@H](CO)c2ncc[nH]2)c1 ZINC001602542159 1018016300 /nfs/dbraw/zinc/01/63/00/1018016300.db2.gz MYWYKFZTEIGBNA-SECBINFHSA-N -1 0 312.307 -0.485 20 0 DBADRM O=C([O-])c1coc(C(=O)N2CCS(=O)(=O)C[C@H]2CCO)c1 ZINC001602549184 1018016940 /nfs/dbraw/zinc/01/69/40/1018016940.db2.gz JVYNFCSPBQEMMW-SECBINFHSA-N -1 0 317.319 -0.401 20 0 DBADRM O=C([O-])c1coc(CN2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC001602551783 1018016956 /nfs/dbraw/zinc/01/69/56/1018016956.db2.gz QMZDUTQCACSBGF-UHFFFAOYSA-N -1 0 320.309 -0.691 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N2CC[C@H](O)[C@H](F)C2)c1 ZINC001602542340 1018017144 /nfs/dbraw/zinc/01/71/44/1018017144.db2.gz UKAQWCWRKSFOFC-ZJUUUORDSA-N -1 0 304.299 -0.127 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)c1 ZINC001602557884 1018017438 /nfs/dbraw/zinc/01/74/38/1018017438.db2.gz BGESRLFZNQCYHW-UHFFFAOYSA-N -1 0 314.319 -0.027 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)C3CC3)[C@H](O)C2)n1 ZINC001602572050 1018017929 /nfs/dbraw/zinc/01/79/29/1018017929.db2.gz KPJJNAKZCBOHBN-VHSXEESVSA-N -1 0 306.322 -0.359 20 0 DBADRM O=C([O-])c1csc(COC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001602562113 1018018764 /nfs/dbraw/zinc/01/87/64/1018018764.db2.gz OZAMCFOFFSPAAM-RXMQYKEDSA-N -1 0 306.321 -0.424 20 0 DBADRM O=C([O-])c1csc(S(=O)(=O)NCCn2cnnn2)c1 ZINC001602564277 1018019107 /nfs/dbraw/zinc/01/91/07/1018019107.db2.gz LYCRFABFMVDSGK-UHFFFAOYSA-N -1 0 303.325 -0.589 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)c2nccs2)n1 ZINC001602575280 1018019852 /nfs/dbraw/zinc/01/98/52/1018019852.db2.gz YWUUYPICEZWNCB-ZETCQYMHSA-N -1 0 323.334 -0.744 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N1CC[C@@](F)(CO)C1 ZINC001602576708 1018019866 /nfs/dbraw/zinc/01/98/66/1018019866.db2.gz AJKNZAYJEVYSRH-NSHDSACASA-N -1 0 304.299 -0.125 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001602577427 1018020202 /nfs/dbraw/zinc/02/02/02/1018020202.db2.gz JKNBAHZFWVQJMG-AQRPAEKGSA-N -1 0 316.360 -0.326 20 0 DBADRM O=C([O-])c1nccc(NC[C@H]2CCN(C(=O)[C@H]3CCOC3)C2)n1 ZINC001602573800 1018020405 /nfs/dbraw/zinc/02/04/05/1018020405.db2.gz VIFLHLFMQJXMMY-MNOVXSKESA-N -1 0 320.349 -0.106 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001602577148 1018020473 /nfs/dbraw/zinc/02/04/73/1018020473.db2.gz GPVIACYKHVUDDK-IUCAKERBSA-N -1 0 316.335 -0.856 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NCC(=O)N1CCCC1 ZINC001602577246 1018020549 /nfs/dbraw/zinc/02/05/49/1018020549.db2.gz GEYPMOXBQHCPON-UHFFFAOYSA-N -1 0 313.335 -0.320 20 0 DBADRM O=C([O-])c1nccc(NCCS(=O)(=O)C2CCOCC2)n1 ZINC001602574045 1018020768 /nfs/dbraw/zinc/02/07/68/1018020768.db2.gz ZQZABTUHCKMZQE-UHFFFAOYSA-N -1 0 315.351 -0.398 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)Cn3cccn3)C2)n1 ZINC001602577129 1018020786 /nfs/dbraw/zinc/02/07/86/1018020786.db2.gz NKNGEWKNNQLWPS-JTQLQIEISA-N -1 0 316.321 -0.494 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)[C@@H]2CC23CC3)n1 ZINC001602575464 1018020855 /nfs/dbraw/zinc/02/08/55/1018020855.db2.gz YJAJVHDCXSEOEK-BDAKNGLRSA-N -1 0 306.322 -0.714 20 0 DBADRM O=C([O-])c1nccc(NC[C@H]2CCN(C(=O)c3nc[nH]n3)C2)n1 ZINC001602573736 1018021615 /nfs/dbraw/zinc/02/16/15/1018021615.db2.gz UAFAOOLIMYWKGJ-MRVPVSSYSA-N -1 0 317.309 -0.711 20 0 DBADRM O=C([O-])c1sccc1C(=O)N1CC2(C1)C[C@H](O)CNC2=O ZINC001602594490 1018022110 /nfs/dbraw/zinc/02/21/10/1018022110.db2.gz DSDBAUACOOGKLA-ZETCQYMHSA-N -1 0 310.331 -0.231 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001602582181 1018022528 /nfs/dbraw/zinc/02/25/28/1018022528.db2.gz HNAZPXLDEDDONP-KNVOCYPGSA-N -1 0 307.262 -0.964 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N[C@@H]1CCCCNC1=O ZINC001602578841 1018022547 /nfs/dbraw/zinc/02/25/47/1018022547.db2.gz WATFZLKWLBIKFY-MRVPVSSYSA-N -1 0 313.335 -0.273 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NC[C@H]1COCCN1 ZINC001602588591 1018022585 /nfs/dbraw/zinc/02/25/85/1018022585.db2.gz BWSMHEHUDNDBDL-LURJTMIESA-N -1 0 307.353 -0.892 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001602581218 1018022958 /nfs/dbraw/zinc/02/29/58/1018022958.db2.gz PQKCEXOABBMFTN-ZJUUUORDSA-N -1 0 312.322 -0.245 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)N1CCCS(=O)(=O)CC1 ZINC001602584025 1018023340 /nfs/dbraw/zinc/02/33/40/1018023340.db2.gz ZETIXHZVNPSPBR-UHFFFAOYSA-N -1 0 316.335 -0.048 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC001602586750 1018024097 /nfs/dbraw/zinc/02/40/97/1018024097.db2.gz GSDLLGXEWOYILR-BQBZGAKWSA-N -1 0 322.364 -0.937 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)c3cccn4nnnc34)C[C@H]1COCC2 ZINC001602628758 1018024605 /nfs/dbraw/zinc/02/46/05/1018024605.db2.gz QLGQSWKXLRPYBS-LKFCYVNXSA-N -1 0 317.305 -0.312 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)c3ccc[n+]([O-])c3)CC2)CCOC1 ZINC001602625819 1018024777 /nfs/dbraw/zinc/02/47/77/1018024777.db2.gz AIJXGRWEHSMWOS-OAHLLOKOSA-N -1 0 321.333 -0.679 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)CCOC1 ZINC001602622424 1018024859 /nfs/dbraw/zinc/02/48/59/1018024859.db2.gz ZYTREUHKTSJUQJ-FOCJUVANSA-N -1 0 324.377 -0.058 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)[C@@H]3[C@H]4CCCO[C@H]43)CC2)CCOC1 ZINC001602621856 1018025184 /nfs/dbraw/zinc/02/51/84/1018025184.db2.gz DSWDDIHJPVOVIY-BRXULGCHSA-N -1 0 324.377 -0.201 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cccc3nc(CO)[nH]c32)C1 ZINC001602628223 1018025349 /nfs/dbraw/zinc/02/53/49/1018025349.db2.gz HODYGQMMHHGKLE-CQSZACIVSA-N -1 0 305.290 -0.283 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccc(Cc3nnc[nH]3)cc2)C1 ZINC001602625061 1018025791 /nfs/dbraw/zinc/02/57/91/1018025791.db2.gz RVQVLAYEPQLMIY-UHFFFAOYSA-N -1 0 302.290 -0.333 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cc(N3CCOCC3)ccn2)C1 ZINC001602622625 1018026476 /nfs/dbraw/zinc/02/64/76/1018026476.db2.gz DBKFTYUNUABZTD-OAHLLOKOSA-N -1 0 321.333 -0.420 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)NC[C@H]3CNC(=O)C3)C2)nn1 ZINC001602636474 1018026858 /nfs/dbraw/zinc/02/68/58/1018026858.db2.gz GFXOXMHMAATEPT-BDAKNGLRSA-N -1 0 322.325 -0.931 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cncc(N3CCOCC3)c2)C1 ZINC001602630166 1018027218 /nfs/dbraw/zinc/02/72/18/1018027218.db2.gz YIVBYUKLZLZLOP-OAHLLOKOSA-N -1 0 321.333 -0.420 20 0 DBADRM O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001602634220 1018027304 /nfs/dbraw/zinc/02/73/04/1018027304.db2.gz WEZZQRZBABCQHX-DZIUIEAZSA-N -1 0 324.333 -0.432 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCNC(=O)CC23CCC3)n1 ZINC001602634564 1018027325 /nfs/dbraw/zinc/02/73/25/1018027325.db2.gz DYETYVRFNDJUAS-UHFFFAOYSA-N -1 0 306.322 -0.148 20 0 DBADRM O=C([O-])[C@@H]1CCCCN1Cc1cn(C[C@H]2CNC(=O)C2)nn1 ZINC001602636096 1018027554 /nfs/dbraw/zinc/02/75/54/1018027554.db2.gz DGAPEMKAAGOWIK-PWSUYJOCSA-N -1 0 307.354 -0.147 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@@]2(c3ccccc3)CNC(=O)C2)C1 ZINC001602631970 1018027975 /nfs/dbraw/zinc/02/79/75/1018027975.db2.gz JJERWDAXJLGQSB-HZPDHXFCSA-N -1 0 318.329 -0.508 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)C1 ZINC001602631491 1018028630 /nfs/dbraw/zinc/02/86/30/1018028630.db2.gz CWSGCTBRYOHJAP-SECBINFHSA-N -1 0 308.265 -0.091 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@H]1CCC(=O)NC1=O ZINC001602638889 1018029562 /nfs/dbraw/zinc/02/95/62/1018029562.db2.gz MFXLHWXFUQLEOB-HRDYMLBCSA-N -1 0 318.351 -0.646 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N[C@H]1CCC(=O)NC1=O ZINC001602638840 1018030481 /nfs/dbraw/zinc/03/04/81/1018030481.db2.gz LDZWRTPXEMLZCY-LURJTMIESA-N -1 0 302.264 -0.939 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CC3(C2)CC(=O)Nc2nccn23)no1 ZINC001602640377 1018030504 /nfs/dbraw/zinc/03/05/04/1018030504.db2.gz YIUOXKICGUIEBC-UHFFFAOYSA-N -1 0 317.261 -0.237 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)N1CCNC(=O)C1 ZINC001602648718 1018031120 /nfs/dbraw/zinc/03/11/20/1018031120.db2.gz IBDYBGVASWCNSX-MRVPVSSYSA-N -1 0 307.310 -0.442 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCC(=O)NC1=O)c1ccccn1 ZINC001602647068 1018031584 /nfs/dbraw/zinc/03/15/84/1018031584.db2.gz WHSCRGDUMVLUKB-NSHDSACASA-N -1 0 306.278 -0.735 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CN1CCNC(=O)C1)Cc1ccccc1 ZINC001602648543 1018031930 /nfs/dbraw/zinc/03/19/30/1018031930.db2.gz DVNNWRIKVGGOFX-CYBMUJFWSA-N -1 0 319.361 -0.522 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)C(=O)N2CCNC(=O)C2)s1 ZINC001602648590 1018032282 /nfs/dbraw/zinc/03/22/82/1018032282.db2.gz JJIIENKPEOMKIL-UHFFFAOYSA-N -1 0 311.319 -0.979 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(C(=O)CN1CCC(=O)NC1=O)CC2 ZINC001602647217 1018032394 /nfs/dbraw/zinc/03/23/94/1018032394.db2.gz XXWKEPXYMFDGQI-SECBINFHSA-N -1 0 309.322 -0.358 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC(=O)NCC23COC3)ccn1 ZINC001602646155 1018032787 /nfs/dbraw/zinc/03/27/87/1018032787.db2.gz BJDYZJDGJBFZTR-UHFFFAOYSA-N -1 0 305.290 -0.489 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC001602645017 1018033062 /nfs/dbraw/zinc/03/30/62/1018033062.db2.gz UAMSLVMIHWYYKX-LLVKDONJSA-N -1 0 313.331 -0.071 20 0 DBADRM O=C([O-])c1csc(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)c1 ZINC001602652858 1018033864 /nfs/dbraw/zinc/03/38/64/1018033864.db2.gz HDWGHHVTWSMVBL-LURJTMIESA-N -1 0 318.332 -0.702 20 0 DBADRM O=C([O-])c1cccc2c1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)CC2 ZINC001602652750 1018034159 /nfs/dbraw/zinc/03/41/59/1018034159.db2.gz BIZVTFYIWSJLDH-NSHDSACASA-N -1 0 317.301 -0.132 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)CC1 ZINC001602651054 1018034277 /nfs/dbraw/zinc/03/42/77/1018034277.db2.gz YJOZINXRYNXAOW-UWVGGRQHSA-N -1 0 316.379 -0.076 20 0 DBADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)CN2CCOCC2=O)C1 ZINC001602651484 1018034965 /nfs/dbraw/zinc/03/49/65/1018034965.db2.gz JEJLGGDYDAFRQW-LLVKDONJSA-N -1 0 324.255 -0.289 20 0 DBADRM O=C([O-])[C@@H](CCF)NC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC001602654697 1018035000 /nfs/dbraw/zinc/03/50/00/1018035000.db2.gz BVQKAWGHVJDGBE-LPATWVRLSA-N -1 0 315.301 -0.316 20 0 DBADRM O=C([O-])c1cc(NC[C@@H]2CCC[C@]23NC(=O)NC3=O)ncn1 ZINC001602655175 1018035689 /nfs/dbraw/zinc/03/56/89/1018035689.db2.gz NKSXILMNALRMNM-CPFSXVBKSA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])c1cnc(NC[C@H]2CCC[C@]23NC(=O)NC3=O)nc1 ZINC001602655708 1018036543 /nfs/dbraw/zinc/03/65/43/1018036543.db2.gz SYWVPJOPVDQXFA-OQPBUACISA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC001602656009 1018036805 /nfs/dbraw/zinc/03/68/05/1018036805.db2.gz ZBYMPIJVYBFOOD-PELISNOXSA-N -1 0 301.274 -0.706 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001602655346 1018037026 /nfs/dbraw/zinc/03/70/26/1018037026.db2.gz DYDAEXHNFBHLPS-UYQHSLLGSA-N -1 0 324.255 -0.462 20 0 DBADRM O=C([O-])[C@]12C[N@H+](CN3C[C@@H]4CCO[C@@H]4C3=O)C[C@H]1COCC2 ZINC001602663587 1018039805 /nfs/dbraw/zinc/03/98/05/1018039805.db2.gz XNZCXMNZPPAZFQ-JUFZMCDQSA-N -1 0 310.350 -0.386 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCCn2cnccc2=O)C1 ZINC001602668652 1018040446 /nfs/dbraw/zinc/04/04/46/1018040446.db2.gz HBPILKGFWWVQGD-DTORHVGOSA-N -1 0 301.324 -0.974 20 0 DBADRM O=Cc1ccc(OCC(=O)N[C@H](Cn2cncn2)C(=O)[O-])cc1 ZINC001602667078 1018041594 /nfs/dbraw/zinc/04/15/94/1018041594.db2.gz SPQIWHSCLSNVQH-GFCCVEGCSA-N -1 0 318.289 -0.261 20 0 DBADRM O=Cc1cc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)co1 ZINC001602664590 1018041819 /nfs/dbraw/zinc/04/18/19/1018041819.db2.gz RWNMPKIUNAJWOK-UHFFFAOYSA-N -1 0 315.303 -0.146 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H](CC)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001499274492 1018052171 /nfs/dbraw/zinc/05/21/71/1018052171.db2.gz RPAPMWJESQRLPG-BQBZGAKWSA-N -1 0 315.305 -0.345 20 0 DBADRM CC(=O)N1CCO[C@H](C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001602746531 1018058211 /nfs/dbraw/zinc/05/82/11/1018058211.db2.gz KYLQWJGTMZFEPD-OLZOCXBDSA-N -1 0 321.333 -0.559 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCc2nncn2C1)[C@H](C)C(=O)[O-] ZINC001602752811 1018059305 /nfs/dbraw/zinc/05/93/05/1018059305.db2.gz ICFFKXQOYVSDJN-MWLCHTKSSA-N -1 0 323.353 -0.722 20 0 DBADRM CC(=O)NCCN(C(=O)Cc1nnc(C2CC2)[nH]1)[C@H](C)C(=O)[O-] ZINC001602755525 1018060021 /nfs/dbraw/zinc/06/00/21/1018060021.db2.gz BAQXVNJVNXNBPP-MRVPVSSYSA-N -1 0 323.353 -0.338 20 0 DBADRM CC(=O)NCCN(C(=O)COc1ccsn1)[C@@H](C)C(=O)[O-] ZINC001602755708 1018061020 /nfs/dbraw/zinc/06/10/20/1018061020.db2.gz JOBUZUIUOKFCJZ-QMMMGPOBSA-N -1 0 315.351 -0.040 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H](NC(N)=O)C(C)C)[C@H](C)C(=O)[O-] ZINC001602755873 1018061669 /nfs/dbraw/zinc/06/16/69/1018061669.db2.gz SKMHLHOIBOWFGU-SCZZXKLOSA-N -1 0 316.358 -0.883 20 0 DBADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccnn1C)N1CCN(C)CC1 ZINC001602788603 1018064135 /nfs/dbraw/zinc/06/41/35/1018064135.db2.gz GZSZOLBSTKNNGQ-JQWIXIFHSA-N -1 0 309.370 -0.702 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001602814311 1018065285 /nfs/dbraw/zinc/06/52/85/1018065285.db2.gz IWVFJTXVGUNCJS-KOLCDFICSA-N -1 0 318.395 -0.431 20 0 DBADRM C[C@H](C(=O)[O-])c1noc(CN2CCN(S(C)(=O)=O)CC2)n1 ZINC001602829908 1018066483 /nfs/dbraw/zinc/06/64/83/1018066483.db2.gz ANMQOCCOPPPTCR-QMMMGPOBSA-N -1 0 318.355 -0.665 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 ZINC001602802069 1018066561 /nfs/dbraw/zinc/06/65/61/1018066561.db2.gz PORGKSXCWAKOGT-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001602796843 1018066819 /nfs/dbraw/zinc/06/68/19/1018066819.db2.gz IVJNFGCHGDLZCK-SNVBAGLBSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC001602804685 1018066973 /nfs/dbraw/zinc/06/69/73/1018066973.db2.gz IUZGNGJIANZTRQ-YFKPBYRVSA-N -1 0 323.227 -0.152 20 0 DBADRM CC(C)(C)OC(=O)C1CCN(S(=O)(=O)NCC(=O)[O-])CC1 ZINC001602874427 1018074078 /nfs/dbraw/zinc/07/40/78/1018074078.db2.gz NLKZJTMHPVDNGQ-UHFFFAOYSA-N -1 0 322.383 -0.041 20 0 DBADRM CC(C)[C@H](CNC(=O)N1C[C@H](CCO)[C@H](CO)C1)C(=O)[O-] ZINC001602978778 1018088774 /nfs/dbraw/zinc/08/87/74/1018088774.db2.gz SJMLGGFYULBPBW-SRVKXCTJSA-N -1 0 302.371 -0.025 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001602960456 1018084759 /nfs/dbraw/zinc/08/47/59/1018084759.db2.gz DTZQEYOGEOAEJI-UWVGGRQHSA-N -1 0 306.384 -0.259 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(c2c[nH]c(=O)nc2N)CC1 ZINC001602964232 1018086693 /nfs/dbraw/zinc/08/66/93/1018086693.db2.gz COPSAYHPDMHTEQ-SNVBAGLBSA-N -1 0 323.353 -0.230 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCCCCn1cc(C(N)=O)nn1 ZINC001602970308 1018089468 /nfs/dbraw/zinc/08/94/68/1018089468.db2.gz PNLOQCYTTXMRBN-SNVBAGLBSA-N -1 0 311.342 -0.370 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCCNS(=O)(=O)N(C)C)C(=O)[O-] ZINC001602983836 1018090649 /nfs/dbraw/zinc/09/06/49/1018090649.db2.gz REQRGVRZFOIQFC-SECBINFHSA-N -1 0 324.403 -0.962 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](O)[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001602998591 1018094396 /nfs/dbraw/zinc/09/43/96/1018094396.db2.gz QVFSULICLCUNIF-YIZRAAEISA-N -1 0 306.330 -0.609 20 0 DBADRM C[C@H](C(=O)N1CCO[C@H](CCF)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001603003137 1018095894 /nfs/dbraw/zinc/09/58/94/1018095894.db2.gz CQMIYWWXFJNYIB-RKDXNWHRSA-N -1 0 324.320 -0.394 20 0 DBADRM C[C@@H](C(=O)NC[C@]1(O)CCSC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603013731 1018097371 /nfs/dbraw/zinc/09/73/71/1018097371.db2.gz YEEKZCCTRLUJMO-WRWORJQWSA-N -1 0 324.370 -0.997 20 0 DBADRM C[C@@H](C(=O)NCc1nccs1)n1cnc(-c2nnn[n-]2)n1 ZINC001603019679 1018099268 /nfs/dbraw/zinc/09/92/68/1018099268.db2.gz NNPSJECHSIMZBR-LURJTMIESA-N -1 0 305.327 -0.208 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001603020188 1018103936 /nfs/dbraw/zinc/10/39/36/1018103936.db2.gz FXTLQZWCFHDZCW-GHMZBOCLSA-N -1 0 311.338 -0.811 20 0 DBADRM CC(=O)N/C(=C\c1ccccc1)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001603032251 1018104527 /nfs/dbraw/zinc/10/45/27/1018104527.db2.gz ZFRVFXHOJNJPKD-GHXNOFRVSA-N -1 0 304.302 -0.179 20 0 DBADRM C[C@@H](C(=O)OCC1CCOCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603031941 1018106315 /nfs/dbraw/zinc/10/63/15/1018106315.db2.gz LZQSURDYONZIJD-QMMMGPOBSA-N -1 0 307.314 -0.011 20 0 DBADRM C[C@H](C(=O)O[C@H]1C(=O)OCC1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001603031358 1018106412 /nfs/dbraw/zinc/10/64/12/1018106412.db2.gz DLYGOLGDEXKEMK-RQJHMYQMSA-N -1 0 321.297 -0.486 20 0 DBADRM CC(=O)N1CCN(C(=O)C(=O)NCCCCC(=O)[O-])[C@@H](C)C1 ZINC001603023351 1018107001 /nfs/dbraw/zinc/10/70/01/1018107001.db2.gz ONFQHWQKJDSUBD-JTQLQIEISA-N -1 0 313.354 -0.563 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001603021028 1018107120 /nfs/dbraw/zinc/10/71/20/1018107120.db2.gz VFSKJJXLUJMYOJ-NWDGAFQWSA-N -1 0 308.338 -0.077 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001603042723 1018108545 /nfs/dbraw/zinc/10/85/45/1018108545.db2.gz PHEFEVONSLBLFA-LLVKDONJSA-N -1 0 314.319 -0.331 20 0 DBADRM CC(=O)N[C@@H](C(=O)OCC(=O)NCCC(=O)[O-])C1CCCC1 ZINC001603035150 1018109980 /nfs/dbraw/zinc/10/99/80/1018109980.db2.gz MLHJAGIOICHBOZ-CYBMUJFWSA-N -1 0 314.338 -0.185 20 0 DBADRM CC(=O)NCC(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001603042713 1018111083 /nfs/dbraw/zinc/11/10/83/1018111083.db2.gz OLNXLDDPCQYYFC-QMMMGPOBSA-N -1 0 300.311 -0.623 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)[O-] ZINC001603034950 1018111622 /nfs/dbraw/zinc/11/16/22/1018111622.db2.gz FNWVTGVOEYERMV-UHFFFAOYSA-N -1 0 301.343 -0.613 20 0 DBADRM C[C@H](C(=O)OCC[C@H]1CCNC1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001603033316 1018111804 /nfs/dbraw/zinc/11/18/04/1018111804.db2.gz XAPYNWCSQVTOLZ-HTQZYQBOSA-N -1 0 320.313 -0.911 20 0 DBADRM CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001603043034 1018112602 /nfs/dbraw/zinc/11/26/02/1018112602.db2.gz YKMATACRDFXQBB-KCJUWKMLSA-N -1 0 321.337 -0.430 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)CC(=O)NCc1ccco1)C(=O)[O-] ZINC001603055195 1018113040 /nfs/dbraw/zinc/11/30/40/1018113040.db2.gz KDNGSINOXKLNPD-CWKPULSASA-N -1 0 316.335 -0.766 20 0 DBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[C@@H]3C(=O)[O-])c2C1 ZINC001603046044 1018113562 /nfs/dbraw/zinc/11/35/62/1018113562.db2.gz HPOVJKCYNGZZDU-CMPLNLGQSA-N -1 0 320.349 -0.119 20 0 DBADRM CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])s1 ZINC001603052433 1018114406 /nfs/dbraw/zinc/11/44/06/1018114406.db2.gz LLBZSEPVPMPUOB-QMMMGPOBSA-N -1 0 322.364 -0.892 20 0 DBADRM CC(=O)Nc1cc(C(=O)NCC(=O)NCC(=O)[O-])ccc1C ZINC001603061497 1018114420 /nfs/dbraw/zinc/11/44/20/1018114420.db2.gz HVMYHPMAKRNZIJ-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[C@H]3C(=O)[O-])c2C1 ZINC001603046046 1018114777 /nfs/dbraw/zinc/11/47/77/1018114777.db2.gz HPOVJKCYNGZZDU-JQWIXIFHSA-N -1 0 320.349 -0.119 20 0 DBADRM CC(C)Oc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1C(N)=O ZINC001603081758 1018116664 /nfs/dbraw/zinc/11/66/64/1018116664.db2.gz PJVKEEREEMEMPN-UHFFFAOYSA-N -1 0 323.305 -0.288 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC001603121136 1018116811 /nfs/dbraw/zinc/11/68/11/1018116811.db2.gz UKDCIICRNMRJTN-LURJTMIESA-N -1 0 311.269 -0.158 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001603075153 1018117036 /nfs/dbraw/zinc/11/70/36/1018117036.db2.gz DAIDMYXDWLEXRD-UHFFFAOYSA-N -1 0 304.328 -0.835 20 0 DBADRM CC(C)(C)NC(=O)NC(=O)Cn1cncc(-c2nnn[n-]2)c1=O ZINC001603081531 1018117918 /nfs/dbraw/zinc/11/79/18/1018117918.db2.gz XJQYXOOLQQDLCV-UHFFFAOYSA-N -1 0 320.313 -0.952 20 0 DBADRM CC(C)n1cc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])nn1 ZINC001603114852 1018119678 /nfs/dbraw/zinc/11/96/78/1018119678.db2.gz VJVRTNWUSLFMOK-JTQLQIEISA-N -1 0 302.356 -0.457 20 0 DBADRM CC(=O)OC[C@@H](CO)NC(=O)CCc1ocnc1C(=O)[O-] ZINC001603087430 1018118930 /nfs/dbraw/zinc/11/89/30/1018118930.db2.gz ASGFSMDIGSJHAG-MRVPVSSYSA-N -1 0 300.267 -0.654 20 0 DBADRM C[C@H](C(=O)N(C)C[C@H](O)CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001603134224 1018121288 /nfs/dbraw/zinc/12/12/88/1018121288.db2.gz SXCQIFTWZPFSIZ-GXSJLCMTSA-N -1 0 322.365 -0.126 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC001603133082 1018121456 /nfs/dbraw/zinc/12/14/56/1018121456.db2.gz JAKPEJPVYALBPR-QTZUAFFRSA-N -1 0 304.368 -0.126 20 0 DBADRM C[C@@H](C(=O)N1CC(C(=O)[O-])C1)S(=O)(=O)C1CCOCC1 ZINC001603139698 1018121532 /nfs/dbraw/zinc/12/15/32/1018121532.db2.gz GLSMHVRXABHDKK-QMMMGPOBSA-N -1 0 305.352 -0.488 20 0 DBADRM CC(=O)c1cncc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1 ZINC001603124351 1018123130 /nfs/dbraw/zinc/12/31/30/1018123130.db2.gz YETZSEMFOZNJON-LLVKDONJSA-N -1 0 305.290 -0.348 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC001603127623 1018123266 /nfs/dbraw/zinc/12/32/66/1018123266.db2.gz OUNLUOKJZZDYLF-BIGNPOOSSA-N -1 0 321.333 -0.041 20 0 DBADRM CC(C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1)=C1CCC1 ZINC001603139417 1018123354 /nfs/dbraw/zinc/12/33/54/1018123354.db2.gz CPWQJMNDGQSVCC-NEPJUHHUSA-N -1 0 322.361 -0.103 20 0 DBADRM CC(=O)c1cn(CC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)nn1 ZINC001603124210 1018123668 /nfs/dbraw/zinc/12/36/68/1018123668.db2.gz SRTXNTPJXGOPJL-SNVBAGLBSA-N -1 0 323.353 -0.512 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)c1cc(C(=O)[O-])nn1C ZINC001603143126 1018125578 /nfs/dbraw/zinc/12/55/78/1018125578.db2.gz QCYVMGYRJBWAGX-ZETCQYMHSA-N -1 0 303.340 -0.329 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NCCCC(=O)N(C)C)C(=O)[O-] ZINC001603144792 1018127049 /nfs/dbraw/zinc/12/70/49/1018127049.db2.gz GGBXWBNBPOSWIX-VIFPVBQESA-N -1 0 301.343 -0.850 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-])c1cnn(C)c1 ZINC001603145650 1018127086 /nfs/dbraw/zinc/12/70/86/1018127086.db2.gz HHLZIYAAOMBBMP-GXSJLCMTSA-N -1 0 308.338 -0.285 20 0 DBADRM C[C@H](C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)S(C)(=O)=O ZINC001603141843 1018128454 /nfs/dbraw/zinc/12/84/54/1018128454.db2.gz WDPBWZWJAHLDNI-RDDDGLTNSA-N -1 0 304.324 -0.749 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NCc1ccnc(N(C)C)n1)C(=O)[O-] ZINC001603146011 1018129659 /nfs/dbraw/zinc/12/96/59/1018129659.db2.gz YFBYCRJAEOBGNM-SECBINFHSA-N -1 0 323.353 -0.662 20 0 DBADRM C[C@@H](CN(C)C(=O)C(F)(F)C(=O)N1CCOCC1)C(=O)[O-] ZINC001603146111 1018129735 /nfs/dbraw/zinc/12/97/35/1018129735.db2.gz ZNFGGZZUOVALON-QMMMGPOBSA-N -1 0 308.281 -0.340 20 0 DBADRM C[C@@H](CN(C)C(=O)NCC1(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC001603149984 1018131312 /nfs/dbraw/zinc/13/13/12/1018131312.db2.gz FYRLKRNHIXJCIA-VIFPVBQESA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@H](C(=O)NC1(C(=O)[O-])CC(CO)C1)N1CCSCC1 ZINC001603154450 1018133251 /nfs/dbraw/zinc/13/32/51/1018133251.db2.gz FDAXXSDFXPKOIR-TTXORMCVSA-N -1 0 302.396 -0.234 20 0 DBADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])C1CC1)n1cnc2c1ncnc2N ZINC001603149106 1018133295 /nfs/dbraw/zinc/13/32/95/1018133295.db2.gz NNEOULPVCDYMTI-POYBYMJQSA-N -1 0 304.310 -0.051 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(c2ccccc2)C(=O)C1 ZINC001603159816 1018133990 /nfs/dbraw/zinc/13/39/90/1018133990.db2.gz GHXXKIXAHUJEMI-NSHDSACASA-N -1 0 305.334 -0.076 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(C)(C)O)C1)C(=O)[O-] ZINC001603158947 1018134066 /nfs/dbraw/zinc/13/40/66/1018134066.db2.gz MQRFXWHZRZKILI-UWVGGRQHSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](C(=O)NCC1(C(=O)[O-])CC1)n1cnc2c1ncnc2N ZINC001603164376 1018134552 /nfs/dbraw/zinc/13/45/52/1018134552.db2.gz PBPZQVQAYZTPQN-SSDOTTSWSA-N -1 0 304.310 -0.050 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001603160086 1018135071 /nfs/dbraw/zinc/13/50/71/1018135071.db2.gz HNALRFPCNBSWHF-HZMBPMFUSA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(c2cnccn2)[C@@H](C)C1 ZINC001603159703 1018135341 /nfs/dbraw/zinc/13/53/41/1018135341.db2.gz COETYDPNABCNKJ-QWRGUYRKSA-N -1 0 307.354 -0.424 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC001603162024 1018135518 /nfs/dbraw/zinc/13/55/18/1018135518.db2.gz UEZRENARTRACML-WPRPVWTQSA-N -1 0 324.337 -0.090 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001603161461 1018136524 /nfs/dbraw/zinc/13/65/24/1018136524.db2.gz QRZMMTLVRIBYCC-SDDRHHMPSA-N -1 0 319.361 -0.143 20 0 DBADRM C[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21)C(=O)[O-] ZINC001603175505 1018139034 /nfs/dbraw/zinc/13/90/34/1018139034.db2.gz RFBHBXMCNGSANT-KXUCPTDWSA-N -1 0 320.367 -0.695 20 0 DBADRM C[C@@H](C(=O)NCCn1cc(C(=O)[O-])nn1)[C@H](C)S(C)(=O)=O ZINC001603165834 1018141064 /nfs/dbraw/zinc/14/10/64/1018141064.db2.gz DWIUQUIXNJXUQJ-SFYZADRCSA-N -1 0 318.355 -0.838 20 0 DBADRM C[C@H](CNC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21)C(=O)[O-] ZINC001603175504 1018141156 /nfs/dbraw/zinc/14/11/56/1018141156.db2.gz RFBHBXMCNGSANT-BBBLOLIVSA-N -1 0 320.367 -0.695 20 0 DBADRM C[C@H](C(=O)[O-])N(CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001603197746 1018143802 /nfs/dbraw/zinc/14/38/02/1018143802.db2.gz STKNRLCMOYWHTA-ZJUUUORDSA-N -1 0 318.395 -0.383 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)C1=NN(CCO)C(=O)CC1)C1CCC1 ZINC001603191690 1018144132 /nfs/dbraw/zinc/14/41/32/1018144132.db2.gz UXIANQFNZKIYEK-SECBINFHSA-N -1 0 311.338 -0.189 20 0 DBADRM C[C@H](NC(=O)CN1CCNC(=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603220370 1018146166 /nfs/dbraw/zinc/14/61/66/1018146166.db2.gz MULQHMAAZHAOLH-GARJFASQSA-N -1 0 311.382 -0.330 20 0 DBADRM C[C@H](NC(=O)C(=O)NCCC(=O)[O-])C(=O)N1CCCC[C@H]1C ZINC001603210758 1018147155 /nfs/dbraw/zinc/14/71/55/1018147155.db2.gz NBLUUFLBHAQYSG-ZJUUUORDSA-N -1 0 313.354 -0.517 20 0 DBADRM C[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C1(S(C)(=O)=O)CC1 ZINC001603218846 1018147274 /nfs/dbraw/zinc/14/72/74/1018147274.db2.gz JHHSGTUBJCCFLL-POYBYMJQSA-N -1 0 304.324 -0.702 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C(=O)NCC(F)(F)F ZINC001603219454 1018147715 /nfs/dbraw/zinc/14/77/15/1018147715.db2.gz WLJUKUHHBVAZTM-NJGYIYPDSA-N -1 0 311.216 -0.601 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001603255569 1018150472 /nfs/dbraw/zinc/15/04/72/1018150472.db2.gz PHSLZJJZSUPCSQ-MRVPVSSYSA-N -1 0 308.356 -0.936 20 0 DBADRM CC(C)(C(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1)c1c[nH]cn1 ZINC001603235315 1018151160 /nfs/dbraw/zinc/15/11/60/1018151160.db2.gz LWFWGKVDHNEQFH-ZJUUUORDSA-N -1 0 320.349 -0.265 20 0 DBADRM C[C@H](NS(C)(=O)=O)c1nnc(-c2cnc(C(=O)[O-])cn2)o1 ZINC001603255745 1018151500 /nfs/dbraw/zinc/15/15/00/1018151500.db2.gz VUQXLCGJXZXDGI-YFKPBYRVSA-N -1 0 313.295 -0.165 20 0 DBADRM CC(C)[C@H]1CCCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001603245021 1018151885 /nfs/dbraw/zinc/15/18/85/1018151885.db2.gz CRTTYVMBDJWKJB-SECBINFHSA-N -1 0 319.369 -0.111 20 0 DBADRM CN(C(=O)CCc1ccnn1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001499683187 1018154700 /nfs/dbraw/zinc/15/47/00/1018154700.db2.gz FJFCXMVQKUMMIE-UHFFFAOYSA-N -1 0 319.369 -0.481 20 0 DBADRM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC001603264747 1018155983 /nfs/dbraw/zinc/15/59/83/1018155983.db2.gz CMDMAKVOUZCWMC-MNOVXSKESA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC001603256667 1018156796 /nfs/dbraw/zinc/15/67/96/1018156796.db2.gz COKLTLGMVJAMST-CYBMUJFWSA-N -1 0 309.278 -0.025 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)N(CCO)CCCO)cn1 ZINC001603282946 1018158825 /nfs/dbraw/zinc/15/88/25/1018158825.db2.gz GQUSAWSYXPADTG-UHFFFAOYSA-N -1 0 314.342 -0.089 20 0 DBADRM C[C@H](c1ccccc1)[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(N)=O ZINC001603286982 1018159769 /nfs/dbraw/zinc/15/97/69/1018159769.db2.gz OEHJEDIKOVKIPY-FXAINCCUSA-N -1 0 319.317 -0.010 20 0 DBADRM C[C@H](OC(=O)C1(C(=O)[O-])CCSCC1)C(=O)NC(N)=O ZINC001603272975 1018159929 /nfs/dbraw/zinc/15/99/29/1018159929.db2.gz WBLIUBSHOGFDFI-LURJTMIESA-N -1 0 304.324 -0.289 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)nn1 ZINC001603269087 1018160076 /nfs/dbraw/zinc/16/00/76/1018160076.db2.gz SGGVQSHPFPBYJX-MRVPVSSYSA-N -1 0 322.325 -0.014 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)CN2C(=O)CCC2=O)n1 ZINC001603288549 1018160172 /nfs/dbraw/zinc/16/01/72/1018160172.db2.gz KJZRHSXWPKCSIS-UHFFFAOYSA-N -1 0 308.294 -0.210 20 0 DBADRM C[C@H](O)C[C@H](C)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603266386 1018160604 /nfs/dbraw/zinc/16/06/04/1018160604.db2.gz UDPSIHGIIRZNFB-UWVGGRQHSA-N -1 0 321.395 -0.211 20 0 DBADRM CC(C)(C)C(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001603295833 1018161771 /nfs/dbraw/zinc/16/17/71/1018161771.db2.gz REUABFMAFNPVJR-OGBGREFGSA-N -1 0 322.361 -0.105 20 0 DBADRM CC(C)(C)[C@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001603313584 1018161838 /nfs/dbraw/zinc/16/18/38/1018161838.db2.gz RIQIEVJCSJXWRO-PSASIEDQSA-N -1 0 307.368 -0.506 20 0 DBADRM C[C@@]1(C(=O)OCC(=O)NCC(=O)[O-])COc2ccccc2O1 ZINC001603309822 1018162186 /nfs/dbraw/zinc/16/21/86/1018162186.db2.gz HXWLCBFQYQHXIV-AWEZNQCLSA-N -1 0 309.274 -0.040 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001603312381 1018163027 /nfs/dbraw/zinc/16/30/27/1018163027.db2.gz DDBDFWBHLWHZCS-VLEAKVRGSA-N -1 0 303.355 -0.107 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC001603295961 1018163200 /nfs/dbraw/zinc/16/32/00/1018163200.db2.gz YNCXBVWCVLPGTM-UHFFFAOYSA-N -1 0 308.338 -0.265 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(c2nnnn2CCN2CCOCC2)C1 ZINC001603309769 1018163367 /nfs/dbraw/zinc/16/33/67/1018163367.db2.gz GLWKOELHMKIORR-CYBMUJFWSA-N -1 0 310.358 -0.694 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)C1 ZINC001603296997 1018164149 /nfs/dbraw/zinc/16/41/49/1018164149.db2.gz FEEXVWIHFACGAI-PELKAZGASA-N -1 0 320.292 -0.462 20 0 DBADRM CC(C)(C)/C=C\C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001603321417 1018167520 /nfs/dbraw/zinc/16/75/20/1018167520.db2.gz SRFBZPAHJJCPSV-WQMVXFAESA-N -1 0 324.377 -0.001 20 0 DBADRM CC1(C)C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC001603315293 1018167746 /nfs/dbraw/zinc/16/77/46/1018167746.db2.gz AUUKSNSSLQOMAD-VHSXEESVSA-N -1 0 314.338 -0.628 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001603320915 1018168393 /nfs/dbraw/zinc/16/83/93/1018168393.db2.gz MLTUWDJVNGXJOZ-VIFPVBQESA-N -1 0 316.354 -0.129 20 0 DBADRM C[C@]1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCC(=O)N1 ZINC001603340086 1018170727 /nfs/dbraw/zinc/17/07/27/1018170727.db2.gz SQGQCRGTICCKNU-CYBMUJFWSA-N -1 0 313.354 -0.164 20 0 DBADRM CC(C)(C)N(CCS(C)(=O)=O)CC(=O)NCCC(=O)[O-] ZINC001603338571 1018170746 /nfs/dbraw/zinc/17/07/46/1018170746.db2.gz DJHPUPVRQVFMCQ-UHFFFAOYSA-N -1 0 308.400 -0.278 20 0 DBADRM CC(C)(C)N1C[C@H](C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1=O ZINC001603344315 1018170767 /nfs/dbraw/zinc/17/07/67/1018170767.db2.gz VYWGDSWZWAUUGX-MXWKQRLJSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@]12COC[C@H]1CN(S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C2 ZINC001603348333 1018172036 /nfs/dbraw/zinc/17/20/36/1018172036.db2.gz RMYWWVMFOYJXOZ-JFGNBEQYSA-N -1 0 304.368 -0.252 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)NCC1(C(=O)[O-])CCC1 ZINC001603352136 1018172253 /nfs/dbraw/zinc/17/22/53/1018172253.db2.gz ILMVVCNAWIPRRJ-UHFFFAOYSA-N -1 0 315.351 -0.108 20 0 DBADRM C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COCC(=O)[O-])C1=O ZINC001603347623 1018172566 /nfs/dbraw/zinc/17/25/66/1018172566.db2.gz ACKNEHMCMGHPAN-AWEZNQCLSA-N -1 0 321.289 -0.414 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(CCO)C2CCC2)C1 ZINC001603355383 1018173555 /nfs/dbraw/zinc/17/35/55/1018173555.db2.gz QCIRVBZQRFDAOP-WDEREUQCSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CCCCO)C1 ZINC001603354077 1018173713 /nfs/dbraw/zinc/17/37/13/1018173713.db2.gz FSZHSRPYRQYCHZ-GHMZBOCLSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nccn2C)C1 ZINC001603355401 1018173910 /nfs/dbraw/zinc/17/39/10/1018173910.db2.gz QYPZUOWXFUUBOJ-UWVGGRQHSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)C1 ZINC001603355097 1018174122 /nfs/dbraw/zinc/17/41/22/1018174122.db2.gz NKKNDAPJJZATJA-UWVGGRQHSA-N -1 0 321.333 -0.107 20 0 DBADRM CC(C)OCCCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001603354632 1018174336 /nfs/dbraw/zinc/17/43/36/1018174336.db2.gz TZGUHPGXYYSKKL-UHFFFAOYSA-N -1 0 323.357 -0.509 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001603359983 1018174366 /nfs/dbraw/zinc/17/43/66/1018174366.db2.gz HPEPHSYHLRHADI-UWVGGRQHSA-N -1 0 319.321 -0.540 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001603353953 1018174947 /nfs/dbraw/zinc/17/49/47/1018174947.db2.gz DLBGYOBLYPIXDV-VIFPVBQESA-N -1 0 319.317 -0.101 20 0 DBADRM CC(C)OCCCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603354545 1018174993 /nfs/dbraw/zinc/17/49/93/1018174993.db2.gz QRMVXAHHHMTPDV-UHFFFAOYSA-N -1 0 323.361 -0.428 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2nc(N)nc(N(C)C)n2)C1 ZINC001603368106 1018178322 /nfs/dbraw/zinc/17/83/22/1018178322.db2.gz NUMDNEGMRDAIJI-YUMQZZPRSA-N -1 0 308.342 -0.297 20 0 DBADRM CC(C)(C)OC(=O)CN1CC[C@@H](N[C@@](C)(CO)C(=O)[O-])C1=O ZINC001603373667 1018178443 /nfs/dbraw/zinc/17/84/43/1018178443.db2.gz HGHFGSPFOVZWNJ-OTYXRUKQSA-N -1 0 316.354 -0.646 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2nc(N)nc(N(C)C)n2)C1 ZINC001603368103 1018178999 /nfs/dbraw/zinc/17/89/99/1018178999.db2.gz NUMDNEGMRDAIJI-JGVFFNPUSA-N -1 0 308.342 -0.297 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCC(=O)[O-])c2ncnn21 ZINC001603374343 1018179046 /nfs/dbraw/zinc/17/90/46/1018179046.db2.gz BGWZUXINAHARBP-BDAKNGLRSA-N -1 0 309.326 -0.229 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2nnnn2CCC(=O)N(C)C)C1 ZINC001603372068 1018179096 /nfs/dbraw/zinc/17/90/96/1018179096.db2.gz LQXZMENIAOHKMN-VHSXEESVSA-N -1 0 310.358 -0.302 20 0 DBADRM CCCNC(=O)CCC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001499770587 1018180018 /nfs/dbraw/zinc/18/00/18/1018180018.db2.gz CBBRENMWHMUKTM-UHFFFAOYSA-N -1 0 324.385 -0.541 20 0 DBADRM C[C@H]1CCCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1C(=O)[O-] ZINC001603407553 1018181407 /nfs/dbraw/zinc/18/14/07/1018181407.db2.gz KHNCJIRDRNMJOI-CMPLNLGQSA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C[C@H]1F ZINC001603416404 1018181929 /nfs/dbraw/zinc/18/19/29/1018181929.db2.gz OMNSHFQSKYHULP-OPRDCNLKSA-N -1 0 302.302 -0.495 20 0 DBADRM C[C@@H]1CCCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1C(=O)[O-] ZINC001603407556 1018182098 /nfs/dbraw/zinc/18/20/98/1018182098.db2.gz KHNCJIRDRNMJOI-ZYHUDNBSSA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@@H]1CC[C@H](CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)O1 ZINC001603395387 1018182257 /nfs/dbraw/zinc/18/22/57/1018182257.db2.gz WPODYBNTVVEHTL-NXEZZACHSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001603434550 1018184143 /nfs/dbraw/zinc/18/41/43/1018184143.db2.gz SEHKEWOVWWXHOR-BXKDBHETSA-N -1 0 320.349 -0.169 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])C[C@H](C2CC2)O1 ZINC001603439521 1018184208 /nfs/dbraw/zinc/18/42/08/1018184208.db2.gz OWPNYKNCFTUVRE-GXSJLCMTSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCN=C3C2=NNN3C)CC[C@H]1C(=O)[O-] ZINC001603440913 1018184625 /nfs/dbraw/zinc/18/46/25/1018184625.db2.gz VUNFTUXGWOMMEV-OPRDCNLKSA-N -1 0 307.354 -0.220 20 0 DBADRM C[C@H]1CCN(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1 ZINC001603426971 1018185930 /nfs/dbraw/zinc/18/59/30/1018185930.db2.gz OPRJBFIOWDASNR-VHSXEESVSA-N -1 0 304.368 -0.962 20 0 DBADRM C[C@@H]1CCN(c2nnc([C@]3(O)CCOC3)n2C)C[C@H]1C(=O)[O-] ZINC001603434396 1018186251 /nfs/dbraw/zinc/18/62/51/1018186251.db2.gz PVBZMQWSEBJVAI-RULNRJAQSA-N -1 0 310.354 -0.030 20 0 DBADRM C[C@H]1CN(C(=S)NCCNS(C)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC001603461429 1018187858 /nfs/dbraw/zinc/18/78/58/1018187858.db2.gz PBVZMRQGEYFPQB-IUCAKERBSA-N -1 0 323.440 -0.547 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC[C@@H](O)CC(=O)[O-] ZINC001603452635 1018188207 /nfs/dbraw/zinc/18/82/07/1018188207.db2.gz QJMYYCMIDWTTAP-IUCAKERBSA-N -1 0 320.342 -0.786 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001603449138 1018188313 /nfs/dbraw/zinc/18/83/13/1018188313.db2.gz LDYHCOJANYUEMH-QMMMGPOBSA-N -1 0 318.326 -0.157 20 0 DBADRM C[C@@H]1CN(CN2C[C@@H](C(=O)[O-])CC2=O)CCS(=O)(=O)C1 ZINC001603460235 1018188452 /nfs/dbraw/zinc/18/84/52/1018188452.db2.gz AUUAENHQICQPDE-ZJUUUORDSA-N -1 0 304.368 -0.757 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001603453179 1018189130 /nfs/dbraw/zinc/18/91/30/1018189130.db2.gz VNKCDEJDKODGBB-SDBXPKJASA-N -1 0 320.342 -0.786 20 0 DBADRM C[C@@H]1CN([C@@H]2CCN(CC(=O)[O-])C2=O)C[C@]2(CCCOC2)O1 ZINC001603462426 1018189563 /nfs/dbraw/zinc/18/95/63/1018189563.db2.gz YSBSXWKCUQXWHR-JMSVASOKSA-N -1 0 312.366 -0.058 20 0 DBADRM C[C@@H]1CN(CCNC(=O)c2cc(C(=O)[O-])nn2C)[C@@H](C)CO1 ZINC001603461992 1018190118 /nfs/dbraw/zinc/19/01/18/1018190118.db2.gz WFVWWGUCWZMMAB-VHSXEESVSA-N -1 0 310.354 -0.043 20 0 DBADRM C[C@@H]1CN(Cc2c(C(=O)[O-])cnn2C)CCS(=O)(=O)C1 ZINC001603461871 1018190164 /nfs/dbraw/zinc/19/01/64/1018190164.db2.gz UGTROPDBBZBDCH-SECBINFHSA-N -1 0 301.368 -0.015 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@](C)(CO)C(=O)[O-] ZINC001603453177 1018190178 /nfs/dbraw/zinc/19/01/78/1018190178.db2.gz VNKCDEJDKODGBB-ISVAXAHUSA-N -1 0 320.342 -0.786 20 0 DBADRM CC(C)(C)OC(=O)NCCNC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001603462507 1018190342 /nfs/dbraw/zinc/19/03/42/1018190342.db2.gz WBJDRRQEOFTTMT-UHFFFAOYSA-N -1 0 303.315 -0.648 20 0 DBADRM C[C@H]1OCC[C@H]1S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001603480406 1018191517 /nfs/dbraw/zinc/19/15/17/1018191517.db2.gz UMCVFHSAOQBBAF-KLBPJQLPSA-N -1 0 305.352 -0.473 20 0 DBADRM C[C@@H]1CN(c2nnnn2[C@@H]2CCN(C)C2=O)CC[C@H]1C(=O)[O-] ZINC001603470852 1018191796 /nfs/dbraw/zinc/19/17/96/1018191796.db2.gz PLTYPUAEDWTPRL-OPRDCNLKSA-N -1 0 308.342 -0.377 20 0 DBADRM C[C@@H](C[C@H]1CCOC1)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001603467598 1018191968 /nfs/dbraw/zinc/19/19/68/1018191968.db2.gz XYELYDXGNULMCS-DTWKUNHWSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001603479613 1018192309 /nfs/dbraw/zinc/19/23/09/1018192309.db2.gz GMOCRTSVDPUSBD-PSLIRLAXSA-N -1 0 322.317 -0.021 20 0 DBADRM C[C@@H]1OCC[C@H]1c1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1 ZINC001603479663 1018192550 /nfs/dbraw/zinc/19/25/50/1018192550.db2.gz HSKPNASFEIAKJD-NKWVEPMBSA-N -1 0 322.277 -0.024 20 0 DBADRM C[C@@H]1COCC[C@@H]1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001603474262 1018193299 /nfs/dbraw/zinc/19/32/99/1018193299.db2.gz SXFROGLPWKWQTF-DVVUODLYSA-N -1 0 317.367 -0.110 20 0 DBADRM C[C@H](CCO)CNS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001603494927 1018196145 /nfs/dbraw/zinc/19/61/45/1018196145.db2.gz DGEGPUXOFNLLOY-MRVPVSSYSA-N -1 0 312.355 -0.442 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)OC)no1 ZINC001603501109 1018197644 /nfs/dbraw/zinc/19/76/44/1018197644.db2.gz STBUYVBVAVQSPM-ZETCQYMHSA-N -1 0 306.296 -0.055 20 0 DBADRM C[C@H](CNC(=O)c1cocn1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001603547341 1018200360 /nfs/dbraw/zinc/20/03/60/1018200360.db2.gz CLALRGHAECCHEG-SSDOTTSWSA-N -1 0 315.297 -0.703 20 0 DBADRM CC[C@@H](CCO)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603548398 1018201206 /nfs/dbraw/zinc/20/12/06/1018201206.db2.gz CJWLXKYHYIOSFO-WDEREUQCSA-N -1 0 315.370 -0.088 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1C[C@H](C)C[C@H](CO)C1)C(=O)[O-] ZINC001603548943 1018201909 /nfs/dbraw/zinc/20/19/09/1018201909.db2.gz MTPSUYCXSDFLIJ-OUAUKWLOSA-N -1 0 300.355 -0.310 20 0 DBADRM CC[C@H](CN1CCOCC1)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001603548405 1018202400 /nfs/dbraw/zinc/20/24/00/1018202400.db2.gz DLPJHXRJRUPTDY-SNVBAGLBSA-N -1 0 311.342 -0.797 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001603536613 1018202427 /nfs/dbraw/zinc/20/24/27/1018202427.db2.gz RDQZEWCQZFLZJX-IWSPIJDZSA-N -1 0 302.342 -0.349 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1C[C@H](CO)C[C@H](C)C1)C(=O)[O-] ZINC001603548942 1018203051 /nfs/dbraw/zinc/20/30/51/1018203051.db2.gz MTPSUYCXSDFLIJ-HBNTYKKESA-N -1 0 300.355 -0.310 20 0 DBADRM CC[C@H](CNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)[O-] ZINC001603552755 1018203088 /nfs/dbraw/zinc/20/30/88/1018203088.db2.gz MQPKCMDLLVNYMD-CLAHSXSESA-N -1 0 311.338 -0.066 20 0 DBADRM CC(C)(CNC(=O)NCCOCC(=O)[O-])N1CCOCC1 ZINC001603631944 1018214520 /nfs/dbraw/zinc/21/45/20/1018214520.db2.gz JIRCYXIFMTZLRX-UHFFFAOYSA-N -1 0 303.359 -0.502 20 0 DBADRM CC[C@@H](CNC(=O)c1cc(S(N)(=O)=O)cnc1C)C(=O)[O-] ZINC001603567134 1018205807 /nfs/dbraw/zinc/20/58/07/1018205807.db2.gz SBVUSOPDISTJFT-QMMMGPOBSA-N -1 0 315.351 -0.122 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1)C(=O)[O-] ZINC001603653681 1018217056 /nfs/dbraw/zinc/21/70/56/1018217056.db2.gz HFWAFQDRCLKIHR-QMMMGPOBSA-N -1 0 306.340 -0.437 20 0 DBADRM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1nccn1C ZINC001603607285 1018209940 /nfs/dbraw/zinc/20/99/40/1018209940.db2.gz DPLDTGQEGRRVCQ-YUMQZZPRSA-N -1 0 316.329 -0.370 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001603602223 1018210726 /nfs/dbraw/zinc/21/07/26/1018210726.db2.gz XFLWSYMQPCBNEL-ZDUSSCGKSA-N -1 0 309.326 -0.520 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001603602221 1018211249 /nfs/dbraw/zinc/21/12/49/1018211249.db2.gz XFLWSYMQPCBNEL-CYBMUJFWSA-N -1 0 309.326 -0.520 20 0 DBADRM CC[C@@H](O)CCCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603586088 1018211259 /nfs/dbraw/zinc/21/12/59/1018211259.db2.gz JGIICVWYOLTHKL-MNOVXSKESA-N -1 0 300.355 -0.023 20 0 DBADRM CC(C)(CCNC(=O)Cn1cc(C(=O)[O-])nn1)S(C)(=O)=O ZINC001603605845 1018211750 /nfs/dbraw/zinc/21/17/50/1018211750.db2.gz JAELWCVBIRGSMY-UHFFFAOYSA-N -1 0 318.355 -0.694 20 0 DBADRM CCC1(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)COC1 ZINC001603611481 1018211930 /nfs/dbraw/zinc/21/19/30/1018211930.db2.gz IQDQSORJESFLLH-UHFFFAOYSA-N -1 0 310.310 -0.551 20 0 DBADRM CC(C)(CC(=O)[O-])NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001603591742 1018212353 /nfs/dbraw/zinc/21/23/53/1018212353.db2.gz JOIFTZKJQQUDCE-SECBINFHSA-N -1 0 304.368 -0.078 20 0 DBADRM CC[C@@H]1CN(C(=O)[C@](C)(OC)C(=O)[O-])C[C@H](C)S1(=O)=O ZINC001603625616 1018213344 /nfs/dbraw/zinc/21/33/44/1018213344.db2.gz ZWPGGGDMEDEZEL-SBMIAAHKSA-N -1 0 307.368 -0.100 20 0 DBADRM C[C@H](NC(=O)C1CC1)[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001603611552 1018213534 /nfs/dbraw/zinc/21/35/34/1018213534.db2.gz TUYQYUSEVVBWTI-YUMQZZPRSA-N -1 0 302.342 -0.206 20 0 DBADRM CC(C)(CN1C(=O)N[C@H](CCC(=O)[O-])C1=O)NS(C)(=O)=O ZINC001603618763 1018214183 /nfs/dbraw/zinc/21/41/83/1018214183.db2.gz NBLGEQZLIKAEIN-SSDOTTSWSA-N -1 0 321.355 -0.901 20 0 DBADRM CCC[C@H](O)[C@H](CO)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001603633741 1018214607 /nfs/dbraw/zinc/21/46/07/1018214607.db2.gz LATPKXUSHUNBPB-QWRGUYRKSA-N -1 0 318.370 -0.311 20 0 DBADRM CC(C)(CNS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001603644687 1018215665 /nfs/dbraw/zinc/21/56/65/1018215665.db2.gz KHVOBSRMQBSILD-SECBINFHSA-N -1 0 304.368 -0.220 20 0 DBADRM CC(C)(CNS(=O)(=O)c1cncc(C(=O)[O-])c1)OCCO ZINC001603647594 1018216855 /nfs/dbraw/zinc/21/68/55/1018216855.db2.gz FVCVCYSCGYJCJK-UHFFFAOYSA-N -1 0 318.351 -0.154 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)Nc1c[nH]nc1C(=O)[O-] ZINC001603652666 1018217800 /nfs/dbraw/zinc/21/78/00/1018217800.db2.gz ZRCXITQFZGJGFP-UHFFFAOYSA-N -1 0 304.328 -0.234 20 0 DBADRM C[C@H]([C@H](C)Nc1ccnc(-c2nnn[n-]2)n1)N1CCOCC1 ZINC001603685288 1018219432 /nfs/dbraw/zinc/21/94/32/1018219432.db2.gz DAOBDIGFTLPAQB-VHSXEESVSA-N -1 0 304.358 -0.400 20 0 DBADRM CC(C)(O)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001603686180 1018221112 /nfs/dbraw/zinc/22/11/12/1018221112.db2.gz PFOKXSCCOAWSCK-JVVWGOMOSA-N -1 0 319.379 -0.316 20 0 DBADRM CC(C)(O)[C@H](O)C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1[C@H]1CCCO1 ZINC001603689086 1018221226 /nfs/dbraw/zinc/22/12/26/1018221226.db2.gz WHHOGZRTWDTCHP-IRCOFANPSA-N -1 0 315.366 -0.011 20 0 DBADRM CC(C)(O)Cc1cn(CC(=O)N2CCC(C(=O)[O-])CC2)nn1 ZINC001603692828 1018221762 /nfs/dbraw/zinc/22/17/62/1018221762.db2.gz UNPDORHAJOTGIA-UHFFFAOYSA-N -1 0 310.354 -0.085 20 0 DBADRM CC(C)(O)[C@H](O)C(=O)N1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1 ZINC001603689087 1018223154 /nfs/dbraw/zinc/22/31/54/1018223154.db2.gz WHHOGZRTWDTCHP-NNYUYHANSA-N -1 0 315.366 -0.011 20 0 DBADRM C[C@H](O)[C@H]1CCCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001603698285 1018225915 /nfs/dbraw/zinc/22/59/15/1018225915.db2.gz XZSHHNAWDGOAPM-DTWKUNHWSA-N -1 0 324.366 -0.204 20 0 DBADRM CC(C)(c1nnc(C(=O)N[C@@H](CF)C(=O)[O-])o1)S(C)(=O)=O ZINC001603696575 1018226055 /nfs/dbraw/zinc/22/60/55/1018226055.db2.gz AEZBOMRAUIAQPL-YFKPBYRVSA-N -1 0 323.302 -0.498 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)C1CCCC1 ZINC001500020247 1018226755 /nfs/dbraw/zinc/22/67/55/1018226755.db2.gz KTYJSYUOGPQBPV-MRVPVSSYSA-N -1 0 323.353 -0.045 20 0 DBADRM CCN(C(=O)C(=O)Nc1cnn(CCOC)c1)[C@@H](C)C(=O)[O-] ZINC001603705506 1018228854 /nfs/dbraw/zinc/22/88/54/1018228854.db2.gz GZNCWKORQIWBPK-VIFPVBQESA-N -1 0 312.326 -0.210 20 0 DBADRM CCN(C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)[O-] ZINC001603713950 1018230315 /nfs/dbraw/zinc/23/03/15/1018230315.db2.gz PFPOPDTUTSGXEB-NXEZZACHSA-N -1 0 306.384 -0.573 20 0 DBADRM CC(C)[C@H](C(=O)N[C@@H](CCF)C(=O)[O-])N1CCCS1(=O)=O ZINC001603708972 1018229436 /nfs/dbraw/zinc/22/94/36/1018229436.db2.gz FBSLTWJXGUMNGB-VHSXEESVSA-N -1 0 324.374 -0.025 20 0 DBADRM CCOC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603780298 1018240061 /nfs/dbraw/zinc/24/00/61/1018240061.db2.gz OKXUPMHODVTCAL-RKDXNWHRSA-N -1 0 301.295 -0.196 20 0 DBADRM CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001603717705 1018229479 /nfs/dbraw/zinc/22/94/79/1018229479.db2.gz UJBLHDHOANQHLF-ZDUSSCGKSA-N -1 0 312.326 -0.420 20 0 DBADRM CCN(C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)[C@H]1CC(=O)NC1=O ZINC001603706119 1018229532 /nfs/dbraw/zinc/22/95/32/1018229532.db2.gz TYBOZAZVIKJDOO-AEJSXWLSSA-N -1 0 312.322 -0.480 20 0 DBADRM CC(C)C(=O)NCCN(C)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001603706255 1018229672 /nfs/dbraw/zinc/22/96/72/1018229672.db2.gz PHRUNZBSJLJAGK-AOOOYVTPSA-N -1 0 306.384 -0.117 20 0 DBADRM CCN(C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)[C@@H]1CC(=O)NC1=O ZINC001603706121 1018229730 /nfs/dbraw/zinc/22/97/30/1018229730.db2.gz TYBOZAZVIKJDOO-IVZWLZJFSA-N -1 0 312.322 -0.480 20 0 DBADRM CCOC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603780295 1018240318 /nfs/dbraw/zinc/24/03/18/1018240318.db2.gz OKXUPMHODVTCAL-BDAKNGLRSA-N -1 0 301.295 -0.196 20 0 DBADRM CCN(C(=O)C(=O)Nc1cc(C)c(=O)n(C)c1)[C@@H](C)C(=O)[O-] ZINC001603701641 1018230959 /nfs/dbraw/zinc/23/09/59/1018230959.db2.gz OZCDTQNSOWUQHS-VIFPVBQESA-N -1 0 309.322 -0.046 20 0 DBADRM CC(C)[C@@H](CO)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001603722974 1018231876 /nfs/dbraw/zinc/23/18/76/1018231876.db2.gz ORBSBUMJJXAOKV-SNVBAGLBSA-N -1 0 303.359 -0.469 20 0 DBADRM CCN(CCO)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603739168 1018232150 /nfs/dbraw/zinc/23/21/50/1018232150.db2.gz JWBGFECVBJBTIJ-SNVBAGLBSA-N -1 0 301.343 -0.524 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603725430 1018232495 /nfs/dbraw/zinc/23/24/95/1018232495.db2.gz NSWIUXISERVHJA-ZJUUUORDSA-N -1 0 313.354 -0.707 20 0 DBADRM CCN([C@@H](C)C(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC001603725441 1018233730 /nfs/dbraw/zinc/23/37/30/1018233730.db2.gz OGPCTZAARQGGHB-QMMMGPOBSA-N -1 0 301.386 -0.454 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1 ZINC001603763381 1018234747 /nfs/dbraw/zinc/23/47/47/1018234747.db2.gz ANBIQQNFFPUNKQ-OAHLLOKOSA-N -1 0 311.382 -0.232 20 0 DBADRM CCN(Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)[C@@H](C)C(=O)[O-] ZINC001603749357 1018235914 /nfs/dbraw/zinc/23/59/14/1018235914.db2.gz HBLWEYQYZQIWSZ-ZETCQYMHSA-N -1 0 309.326 -0.745 20 0 DBADRM CCN1CCC[C@@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)C1=O ZINC001603760541 1018236188 /nfs/dbraw/zinc/23/61/88/1018236188.db2.gz XZONGPBWANHDNN-LLVKDONJSA-N -1 0 321.333 -0.326 20 0 DBADRM CCOC(=O)[C@@](C)(O)CNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001603780222 1018238369 /nfs/dbraw/zinc/23/83/69/1018238369.db2.gz MCPQXIHWNDFMLG-ZDUSSCGKSA-N -1 0 317.338 -0.312 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCN(C)[C@H](CO)C1)C(=O)[O-] ZINC001603775009 1018239151 /nfs/dbraw/zinc/23/91/51/1018239151.db2.gz COQXRMCBGUGSRF-RYUDHWBXSA-N -1 0 301.387 -0.790 20 0 DBADRM CCOC(=O)[C@](C)(O)CNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001603780221 1018238873 /nfs/dbraw/zinc/23/88/73/1018238873.db2.gz MCPQXIHWNDFMLG-CYBMUJFWSA-N -1 0 317.338 -0.312 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN[C@@H](CO)c1cnn(C)c1)C(=O)[O-] ZINC001603777221 1018238884 /nfs/dbraw/zinc/23/88/84/1018238884.db2.gz SIWUITXCXJNQRE-NEPJUHHUSA-N -1 0 312.370 -0.341 20 0 DBADRM CCOC(=O)[C@@H](CC)C(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001603780737 1018239106 /nfs/dbraw/zinc/23/91/06/1018239106.db2.gz SSEFSDQSSPAPJA-IINYFYTJSA-N -1 0 317.338 -0.096 20 0 DBADRM CCOC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603780296 1018239972 /nfs/dbraw/zinc/23/99/72/1018239972.db2.gz OKXUPMHODVTCAL-DTWKUNHWSA-N -1 0 301.295 -0.196 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C1(CS(C)(=O)=O)COC1)C(=O)[O-] ZINC001603770642 1018240229 /nfs/dbraw/zinc/24/02/29/1018240229.db2.gz XAAUBERLWNNEGR-JTQLQIEISA-N -1 0 321.395 -0.089 20 0 DBADRM CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCC(=O)NCC(=O)[O-] ZINC001603779754 1018240311 /nfs/dbraw/zinc/24/03/11/1018240311.db2.gz GWPLZGJDNBKMJM-VHSXEESVSA-N -1 0 302.327 -0.722 20 0 DBADRM CC(C)OC(=O)CCCNS(=O)(=O)N(C)CCC(=O)[O-] ZINC001603907319 1018259375 /nfs/dbraw/zinc/25/93/75/1018259375.db2.gz BUTNMWRDJDHKSL-UHFFFAOYSA-N -1 0 310.372 -0.041 20 0 DBADRM CCOC(=O)C1(O)CCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001603787601 1018240746 /nfs/dbraw/zinc/24/07/46/1018240746.db2.gz VQGCVHGTOWTAOM-SNVBAGLBSA-N -1 0 314.338 -0.938 20 0 DBADRM CC1(C)OC[C@H](CCn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)O1 ZINC001603792804 1018241054 /nfs/dbraw/zinc/24/10/54/1018241054.db2.gz KCIWNXVZPGJCLE-ZETCQYMHSA-N -1 0 308.298 -0.329 20 0 DBADRM CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603793420 1018241762 /nfs/dbraw/zinc/24/17/62/1018241762.db2.gz HJRXJDNUHOCXIG-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM CC1(C)CO[C@H](CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001603789365 1018242168 /nfs/dbraw/zinc/24/21/68/1018242168.db2.gz MBLYUICXPLLWOG-SECBINFHSA-N -1 0 320.357 -0.220 20 0 DBADRM CC(C)CN(C)C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001603802107 1018242606 /nfs/dbraw/zinc/24/26/06/1018242606.db2.gz WNINGBXMOJCYDA-UHFFFAOYSA-N -1 0 301.343 -0.802 20 0 DBADRM CCOC(=O)COCCNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001603796902 1018243274 /nfs/dbraw/zinc/24/32/74/1018243274.db2.gz TWBYTQTYLXVJNV-UHFFFAOYSA-N -1 0 317.338 -0.046 20 0 DBADRM CCOC(=O)CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603796735 1018243856 /nfs/dbraw/zinc/24/38/56/1018243856.db2.gz QETUSDMGMWKSJA-SECBINFHSA-N -1 0 300.311 -0.621 20 0 DBADRM C[C@@]1(CO)CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603808757 1018245912 /nfs/dbraw/zinc/24/59/12/1018245912.db2.gz UJCBMDGXJBLGRQ-NSHDSACASA-N -1 0 313.339 -0.005 20 0 DBADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)C1=NN(CCO)C(=O)CC1 ZINC001603831801 1018249984 /nfs/dbraw/zinc/24/99/84/1018249984.db2.gz FZGASTSCDMBXLO-NSHDSACASA-N -1 0 313.354 -0.085 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001603830113 1018250495 /nfs/dbraw/zinc/25/04/95/1018250495.db2.gz FWPLUHGLEFFSLA-UHFFFAOYSA-N -1 0 318.355 -0.837 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001603830983 1018250620 /nfs/dbraw/zinc/25/06/20/1018250620.db2.gz RZCXRDJHYKZHDU-QMMMGPOBSA-N -1 0 316.321 -0.125 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001603830225 1018250912 /nfs/dbraw/zinc/25/09/12/1018250912.db2.gz LEGFENBXNRDFEA-QWRGUYRKSA-N -1 0 321.395 -0.089 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@H]1CCCC(=O)N1)C(=O)[O-] ZINC001603840957 1018253720 /nfs/dbraw/zinc/25/37/20/1018253720.db2.gz MSXOECAHJRZWSF-ZJUUUORDSA-N -1 0 313.354 -0.613 20 0 DBADRM C[C@H]1C[C@H](C)CN(C(=O)Cn2cnc(-c3nnn[n-]3)cc2=O)C1 ZINC001603846382 1018253863 /nfs/dbraw/zinc/25/38/63/1018253863.db2.gz JLNXVEPTKAICPQ-UWVGGRQHSA-N -1 0 317.353 -0.072 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCO[C@H](C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001603858055 1018253911 /nfs/dbraw/zinc/25/39/11/1018253911.db2.gz ZSGQVFDINNBMNC-VGMNWLOBSA-N -1 0 306.330 -0.297 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c2nccn21 ZINC001603853544 1018254303 /nfs/dbraw/zinc/25/43/03/1018254303.db2.gz QVWSWXOJHDZFQZ-SFYZADRCSA-N -1 0 314.313 -0.523 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1cc2n(n1)CCO2)C(=O)[O-] ZINC001603840819 1018255451 /nfs/dbraw/zinc/25/54/51/1018255451.db2.gz BWNBLHPJDUEMLF-JTQLQIEISA-N -1 0 324.337 -0.379 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)C1 ZINC001603885836 1018256997 /nfs/dbraw/zinc/25/69/97/1018256997.db2.gz QYSILENBWVSGAY-UWVGGRQHSA-N -1 0 319.379 -0.098 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001603894527 1018257054 /nfs/dbraw/zinc/25/70/54/1018257054.db2.gz RFSGGQBSCXBKEK-GFCCVEGCSA-N -1 0 320.367 -0.886 20 0 DBADRM C[C@H]1CC[C@@H]1NC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001603881980 1018257353 /nfs/dbraw/zinc/25/73/53/1018257353.db2.gz QDKGOELAROQSRG-CBAPKCEASA-N -1 0 319.325 -0.566 20 0 DBADRM CC(C)N(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001603875326 1018257380 /nfs/dbraw/zinc/25/73/80/1018257380.db2.gz DHHLOPBCDJPQBG-LBPRGKRZSA-N -1 0 324.333 -0.087 20 0 DBADRM CC[S@](=O)CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603894673 1018258442 /nfs/dbraw/zinc/25/84/42/1018258442.db2.gz ISQDGPLQLAYONO-YBYGRFCBSA-N -1 0 304.368 -0.806 20 0 DBADRM CC(C)Cn1nnnc1N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001603866417 1018258655 /nfs/dbraw/zinc/25/86/55/1018258655.db2.gz OCOMWYOAWBSNQG-CQSZACIVSA-N -1 0 324.385 -0.305 20 0 DBADRM CCOc1cnc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cn1 ZINC001603885224 1018258835 /nfs/dbraw/zinc/25/88/35/1018258835.db2.gz OTZBVBMUNNFYMZ-VIFPVBQESA-N -1 0 324.337 -0.073 20 0 DBADRM CC(C)NC(=O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001603898417 1018259635 /nfs/dbraw/zinc/25/96/35/1018259635.db2.gz MNXURXCLGFXEHX-UHFFFAOYSA-N -1 0 317.367 -0.132 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001603898289 1018260708 /nfs/dbraw/zinc/26/07/08/1018260708.db2.gz HUBZZYQLGJXMLW-UHFFFAOYSA-N -1 0 311.342 -0.487 20 0 DBADRM CC(C)NC(=O)NC1(C(=O)N[C@@H](CO)C(=O)[O-])CCCCC1 ZINC001603900150 1018260719 /nfs/dbraw/zinc/26/07/19/1018260719.db2.gz NZQBPUCHJYFLFI-JTQLQIEISA-N -1 0 315.370 -0.041 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001603899026 1018260833 /nfs/dbraw/zinc/26/08/33/1018260833.db2.gz VCTRGLIHHVZFHM-CQSZACIVSA-N -1 0 315.370 -0.950 20 0 DBADRM CC(C)OC(=O)CCNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001603908321 1018260863 /nfs/dbraw/zinc/26/08/63/1018260863.db2.gz UKXITXLCNCTFDT-UHFFFAOYSA-N -1 0 317.342 -0.392 20 0 DBADRM CC(C)NC(=O)[C@H](C)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001603897072 1018261577 /nfs/dbraw/zinc/26/15/77/1018261577.db2.gz YWUZXUICWKGGEY-VIFPVBQESA-N -1 0 309.322 -0.424 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001603916400 1018262008 /nfs/dbraw/zinc/26/20/08/1018262008.db2.gz GDGOYPHPUXZHOE-RKDXNWHRSA-N -1 0 315.326 -0.689 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)Cc2ncc[nH]2)c1[O-] ZINC001500178614 1018262900 /nfs/dbraw/zinc/26/29/00/1018262900.db2.gz VUBABQAVVKCNCV-MRVPVSSYSA-N -1 0 320.353 -0.128 20 0 DBADRM CC(C)OCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001603917090 1018262738 /nfs/dbraw/zinc/26/27/38/1018262738.db2.gz WWQAUUSZWJGJRR-CQSZACIVSA-N -1 0 300.355 -0.201 20 0 DBADRM C[C@H]1CN(CCNc2ccnc(-c3nnn[n-]3)n2)[C@@H](C)CO1 ZINC001603936130 1018265191 /nfs/dbraw/zinc/26/51/91/1018265191.db2.gz HWQUNECRVAFBLM-UWVGGRQHSA-N -1 0 304.358 -0.400 20 0 DBADRM CC(C)S(=O)(=O)CCNS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001603959832 1018269104 /nfs/dbraw/zinc/26/91/04/1018269104.db2.gz CLDFVTIEPHOSKO-UHFFFAOYSA-N -1 0 315.413 -0.160 20 0 DBADRM C/C=C\C[C@H](CO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001603963957 1018271957 /nfs/dbraw/zinc/27/19/57/1018271957.db2.gz QNIVZPZLNSUOEV-PULIVWKDSA-N -1 0 321.341 -0.997 20 0 DBADRM CCc1nc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(C)o1 ZINC001603980690 1018273455 /nfs/dbraw/zinc/27/34/55/1018273455.db2.gz NOYRHBNKBSXDCM-MRVPVSSYSA-N -1 0 316.335 -0.131 20 0 DBADRM CCc1nnc([C@@H]2C[C@@H](O)CN2C(=O)c2cc(C(=O)[O-])n[nH]2)[nH]1 ZINC001603983029 1018273738 /nfs/dbraw/zinc/27/37/38/1018273738.db2.gz RWUCLVQCHUNHQR-MUWHJKNJSA-N -1 0 320.309 -0.264 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)c1ccc(C(N)=O)nc1)C(=O)[O-] ZINC001603973656 1018274016 /nfs/dbraw/zinc/27/40/16/1018274016.db2.gz DALPVQJIVYLHBE-NSHDSACASA-N -1 0 323.305 -0.437 20 0 DBADRM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001603978967 1018274742 /nfs/dbraw/zinc/27/47/42/1018274742.db2.gz XZRISNNOCORPHK-IUCAKERBSA-N -1 0 303.359 -0.330 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)C(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC001603973151 1018276212 /nfs/dbraw/zinc/27/62/12/1018276212.db2.gz CSLAMXRNTJURAL-VIFPVBQESA-N -1 0 323.367 -0.422 20 0 DBADRM CN(C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)[C@@H]1CCCOC1 ZINC001604024926 1018277926 /nfs/dbraw/zinc/27/79/26/1018277926.db2.gz YKNQTDWLIFFWOP-SECBINFHSA-N -1 0 310.310 -0.456 20 0 DBADRM CN(C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])C1CCOCC1 ZINC001604028859 1018278783 /nfs/dbraw/zinc/27/87/83/1018278783.db2.gz USAGYBQFSBWAFB-JTQLQIEISA-N -1 0 320.367 -0.599 20 0 DBADRM CC[C@H](C[C@H](C)CO)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001604014950 1018278871 /nfs/dbraw/zinc/27/88/71/1018278871.db2.gz BJLMFFVZDJACFT-DTWKUNHWSA-N -1 0 308.346 -0.629 20 0 DBADRM CC[C@@H](C)[C@H](OC)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603998128 1018279698 /nfs/dbraw/zinc/27/96/98/1018279698.db2.gz CCSYFHWKZYXATB-BDAKNGLRSA-N -1 0 308.346 -0.365 20 0 DBADRM CN(C(=O)COC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C1CC1 ZINC001604028884 1018280810 /nfs/dbraw/zinc/28/08/10/1018280810.db2.gz UZFMYMTUPWPJHY-SNVBAGLBSA-N -1 0 312.322 -0.526 20 0 DBADRM CC[C@H](C)CN(C)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001604004620 1018280868 /nfs/dbraw/zinc/28/08/68/1018280868.db2.gz JDUSLPKKMLTWSG-QMMMGPOBSA-N -1 0 321.341 -0.367 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001604040986 1018283441 /nfs/dbraw/zinc/28/34/41/1018283441.db2.gz PUARLHKKVZLRLM-OCAPTIKFSA-N -1 0 310.314 -0.649 20 0 DBADRM CN(C(=O)c1ccc(C(=O)[O-])cn1)N1CCS(=O)(=O)CC1 ZINC001604035192 1018284212 /nfs/dbraw/zinc/28/42/12/1018284212.db2.gz KVYNYAMYWJOGCP-UHFFFAOYSA-N -1 0 313.335 -0.503 20 0 DBADRM C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN[C@@](C)(CO)C(=O)[O-] ZINC001604051640 1018286184 /nfs/dbraw/zinc/28/61/84/1018286184.db2.gz PQLDLRYTKKKYKH-XPTSAGLGSA-N -1 0 310.354 -0.360 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC001604056737 1018287391 /nfs/dbraw/zinc/28/73/91/1018287391.db2.gz WEBVXAAVQVZEQB-UHHSMLKOSA-N -1 0 304.368 -0.054 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NC(C)(C)C(=O)[O-])cn1 ZINC001604075414 1018289871 /nfs/dbraw/zinc/28/98/71/1018289871.db2.gz GJQPHQJFSSMNJJ-UHFFFAOYSA-N -1 0 315.351 -0.075 20 0 DBADRM CC[C@H](OC)C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001604071006 1018290407 /nfs/dbraw/zinc/29/04/07/1018290407.db2.gz XRFHNPKSGAGOFR-QMMMGPOBSA-N -1 0 306.330 -0.968 20 0 DBADRM C[C@H](CC(=O)N[C@H](Cc1cncs1)C(=O)[O-])NC(N)=O ZINC001604069002 1018291401 /nfs/dbraw/zinc/29/14/01/1018291401.db2.gz XYODGSQVGMHMGV-HTRCEHHLSA-N -1 0 300.340 -0.298 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)[C@@H]1CC[C@H](C(N)=O)O1)c1ccncc1 ZINC001604082938 1018292163 /nfs/dbraw/zinc/29/21/63/1018292163.db2.gz ZFHQKMIUSZYKTB-JRPNMDOOSA-N -1 0 321.333 -0.079 20 0 DBADRM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001604067967 1018292815 /nfs/dbraw/zinc/29/28/15/1018292815.db2.gz JOJSYNYIAPTMBD-GXSJLCMTSA-N -1 0 322.365 -0.078 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)NCCCC(=O)[O-])CC1 ZINC001604074864 1018292839 /nfs/dbraw/zinc/29/28/39/1018292839.db2.gz KTFKYRUZWZOMIP-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM Cc1cncn1CC(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500241454 1018294349 /nfs/dbraw/zinc/29/43/49/1018294349.db2.gz MVXZUJYFPNWINA-AWEZNQCLSA-N -1 0 319.369 -0.204 20 0 DBADRM CCC1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC1 ZINC001604105570 1018294744 /nfs/dbraw/zinc/29/47/44/1018294744.db2.gz KAJYFJOVXBAFCS-UHFFFAOYSA-N -1 0 305.342 -0.120 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCO[C@H](CN2CCOCC2)C1 ZINC001604096621 1018295177 /nfs/dbraw/zinc/29/51/77/1018295177.db2.gz KFOBIGPKLXZUIF-VXGBXAGGSA-N -1 0 300.355 -0.343 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)NCC12COCCN1CCOC2 ZINC001604104222 1018295496 /nfs/dbraw/zinc/29/54/96/1018295496.db2.gz BUBPVZZKZRTVQP-NSHDSACASA-N -1 0 300.355 -0.295 20 0 DBADRM CN(C)c1cnc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC001604092475 1018295552 /nfs/dbraw/zinc/29/55/52/1018295552.db2.gz MIKLSRGVZSVDBB-YMTOWFKASA-N -1 0 306.322 -0.284 20 0 DBADRM CC[C@@H]1C[C@@H](C)CN1c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604097637 1018295833 /nfs/dbraw/zinc/29/58/33/1018295833.db2.gz REOUGPRKXXACCB-HTQZYQBOSA-N -1 0 305.342 -0.122 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001604094241 1018296072 /nfs/dbraw/zinc/29/60/72/1018296072.db2.gz LKHLFHKCJQPIQN-UTLUCORTSA-N -1 0 306.384 -0.069 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)n1 ZINC001604092761 1018296435 /nfs/dbraw/zinc/29/64/35/1018296435.db2.gz XBBFBNKLPMPDJT-MRVPVSSYSA-N -1 0 308.342 -0.250 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC001604104730 1018296443 /nfs/dbraw/zinc/29/64/43/1018296443.db2.gz BCFJYWUZNKPBGQ-LLVKDONJSA-N -1 0 322.365 -0.070 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC001604105380 1018296590 /nfs/dbraw/zinc/29/65/90/1018296590.db2.gz QZWGDYAOGUTANI-UWVGGRQHSA-N -1 0 322.383 -0.736 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N(C)CCCNc1ncc(C(=O)[O-])cn1 ZINC001604125682 1018301819 /nfs/dbraw/zinc/30/18/19/1018301819.db2.gz YCJLVNCEDZMXPE-VIFPVBQESA-N -1 0 323.353 -0.053 20 0 DBADRM C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001604130128 1018301945 /nfs/dbraw/zinc/30/19/45/1018301945.db2.gz QHOIYTFSAPWOFZ-VWYCJHECSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H](C)CC(N)=O ZINC001604125506 1018302118 /nfs/dbraw/zinc/30/21/18/1018302118.db2.gz TTZOZIICMQRKOK-JGVFFNPUSA-N -1 0 309.326 -0.975 20 0 DBADRM C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001604130126 1018302716 /nfs/dbraw/zinc/30/27/16/1018302716.db2.gz QHOIYTFSAPWOFZ-MXWKQRLJSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1COC(=O)N1 ZINC001604141437 1018302920 /nfs/dbraw/zinc/30/29/20/1018302920.db2.gz HROVRYGIIJGINS-JGVFFNPUSA-N -1 0 323.309 -0.988 20 0 DBADRM C[C@H](CCNC(=O)[C@@H]1CCNC1=O)Nc1ncc(C(=O)[O-])cn1 ZINC001604141161 1018303793 /nfs/dbraw/zinc/30/37/93/1018303793.db2.gz NHFRALFGKQJBKF-SCZZXKLOSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H](CCNC(=O)C(C)(C)C(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001604141039 1018304288 /nfs/dbraw/zinc/30/42/88/1018304288.db2.gz MIGUFYDWNHVMPY-QMMMGPOBSA-N -1 0 323.353 -0.585 20 0 DBADRM C[C@H](CN(C)C(=O)c1cc[nH]n1)Nc1ccnc(C(=O)[O-])n1 ZINC001604155137 1018304807 /nfs/dbraw/zinc/30/48/07/1018304807.db2.gz FSZCERHWDWZYPL-MRVPVSSYSA-N -1 0 304.310 -0.108 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001604148730 1018306032 /nfs/dbraw/zinc/30/60/32/1018306032.db2.gz YSHOIISUSZBHBQ-MRVPVSSYSA-N -1 0 303.340 -0.479 20 0 DBADRM C[C@@H](CN1CCC[C@@H]1C(=O)NCC(=O)[O-])CS(C)(=O)=O ZINC001604164476 1018309003 /nfs/dbraw/zinc/30/90/03/1018309003.db2.gz BCEDSDQOVKPJRA-VHSXEESVSA-N -1 0 306.384 -0.668 20 0 DBADRM C[C@@H](CNC(=O)Cc1c[nH]cn1)Nc1ccnc(C(=O)[O-])n1 ZINC001604174633 1018312057 /nfs/dbraw/zinc/31/20/57/1018312057.db2.gz SDJZJCFKDXARLG-QMMMGPOBSA-N -1 0 304.310 -0.521 20 0 DBADRM C[C@@H](CNC(=O)CCCC(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001604174554 1018312136 /nfs/dbraw/zinc/31/21/36/1018312136.db2.gz XDXAANPWMUTAOY-QMMMGPOBSA-N -1 0 309.326 -0.831 20 0 DBADRM C[C@@H](CNC(=O)[C@@]1(F)CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001604173388 1018312390 /nfs/dbraw/zinc/31/23/90/1018312390.db2.gz SMLLHHRLISTEJZ-ISVAXAHUSA-N -1 0 312.301 -0.358 20 0 DBADRM C[C@@H](CNC(=O)Cn1ccnc1)Nc1ccnc(C(=O)[O-])n1 ZINC001604174689 1018312621 /nfs/dbraw/zinc/31/26/21/1018312621.db2.gz UNOYPOTUNZNMDV-VIFPVBQESA-N -1 0 304.310 -0.590 20 0 DBADRM C[C@@H](CNC(=O)N1CC(O)(C(=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001604174435 1018312753 /nfs/dbraw/zinc/31/27/53/1018312753.db2.gz NTTCUYBEPDNXSE-QMMMGPOBSA-N -1 0 317.342 -0.260 20 0 DBADRM C[C@@H](CNC(=O)c1cnn(C)n1)CNc1ncc(C(=O)[O-])cn1 ZINC001604184574 1018313859 /nfs/dbraw/zinc/31/38/59/1018313859.db2.gz YHDFVQYUFNNUQP-QMMMGPOBSA-N -1 0 319.325 -0.219 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001604180758 1018314040 /nfs/dbraw/zinc/31/40/40/1018314040.db2.gz SMNLYSNGJBDIJW-NSCUHMNNSA-N -1 0 302.308 -0.262 20 0 DBADRM C[C@H](CNC(=O)c1cc(N2CCNC(=O)C2)ccn1)C(=O)[O-] ZINC001604184150 1018314126 /nfs/dbraw/zinc/31/41/26/1018314126.db2.gz UGFLXKUYMAKHIB-SECBINFHSA-N -1 0 306.322 -0.532 20 0 DBADRM C[C@H](CNC(=O)c1ccncn1)Nc1ccnc(C(=O)[O-])n1 ZINC001604183082 1018314313 /nfs/dbraw/zinc/31/43/13/1018314313.db2.gz BZQRQTJJKFJAKA-MRVPVSSYSA-N -1 0 302.294 -0.383 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)C(C)(C)C ZINC001500308224 1018314771 /nfs/dbraw/zinc/31/47/71/1018314771.db2.gz KTEKPIPDIJGMEX-ZETCQYMHSA-N -1 0 311.342 -0.189 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1ncccn1 ZINC001604190073 1018315637 /nfs/dbraw/zinc/31/56/37/1018315637.db2.gz IRUGVSNNJQEIEH-VIFPVBQESA-N -1 0 316.321 -0.041 20 0 DBADRM CN(Cc1cnccn1)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604197221 1018316813 /nfs/dbraw/zinc/31/68/13/1018316813.db2.gz NQPYYSUQLPWKRZ-LLVKDONJSA-N -1 0 306.322 -0.242 20 0 DBADRM CN1C(=O)CN(NC(=O)c2cccc(OCC(=O)[O-])c2)C1=O ZINC001604195705 1018317091 /nfs/dbraw/zinc/31/70/91/1018317091.db2.gz GMSBGMOLHKTLDV-UHFFFAOYSA-N -1 0 307.262 -0.311 20 0 DBADRM C[C@@](CO)(NC(=O)c1cn(Cc2cccs2)nn1)C(=O)[O-] ZINC001604193504 1018318256 /nfs/dbraw/zinc/31/82/56/1018318256.db2.gz QWPXDXVACAIFNP-LBPRGKRZSA-N -1 0 310.335 -0.047 20 0 DBADRM C[C@H](CO)CCCNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001604199233 1018318907 /nfs/dbraw/zinc/31/89/07/1018318907.db2.gz WWPIIUMTCBJDIS-GUBZILKMSA-N -1 0 303.359 -0.328 20 0 DBADRM CN1CC(=O)Nc2cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cnc21 ZINC001604200551 1018319851 /nfs/dbraw/zinc/31/98/51/1018319851.db2.gz DQGAWZPGYRUMPD-JTQLQIEISA-N -1 0 320.305 -0.605 20 0 DBADRM CN1CC[C@@H](C(=O)O[C@H]2CCCCN(CC(=O)[O-])C2=O)C1=O ZINC001604202593 1018319881 /nfs/dbraw/zinc/31/98/81/1018319881.db2.gz HPMFUEFIAJJAOR-ZJUUUORDSA-N -1 0 312.322 -0.526 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001604202733 1018320534 /nfs/dbraw/zinc/32/05/34/1018320534.db2.gz HNCSDMIWOBQBKD-WISYIIOYSA-N -1 0 316.354 -0.343 20 0 DBADRM C[C@H](CO)C1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC001604198164 1018321048 /nfs/dbraw/zinc/32/10/48/1018321048.db2.gz BWLLPUGEWFZFCE-SNVBAGLBSA-N -1 0 308.400 -0.022 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCNC(=O)CC12CCC2)C(=O)[O-] ZINC001604210690 1018321930 /nfs/dbraw/zinc/32/19/30/1018321930.db2.gz OMDNZASYGUQZHH-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@@H](CS(=O)(=O)N(C)C)OC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001604205703 1018322023 /nfs/dbraw/zinc/32/20/23/1018322023.db2.gz VBFSSKDWSUMRIC-UTINFBMNSA-N -1 0 323.367 -0.312 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCc2c(=O)[nH]cnc2C1)C(=O)[O-] ZINC001604209640 1018322324 /nfs/dbraw/zinc/32/23/24/1018322324.db2.gz JHJILQQHMFUVMS-ZETCQYMHSA-N -1 0 301.324 -0.409 20 0 DBADRM CN1CC[C@H](n2cc(CN3CCC(C(=O)[O-])CC3)nn2)C1=O ZINC001604208324 1018323925 /nfs/dbraw/zinc/32/39/25/1018323925.db2.gz KHEYKKSPBOKUGF-LBPRGKRZSA-N -1 0 307.354 -0.022 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001604214378 1018326128 /nfs/dbraw/zinc/32/61/28/1018326128.db2.gz MCRMCUFLDBRIPA-ZUNJMDCASA-N -1 0 304.368 -0.807 20 0 DBADRM C[C@H](C[S@@](C)=O)N(C)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001604211837 1018327287 /nfs/dbraw/zinc/32/72/87/1018327287.db2.gz XVEQUGGYZXNWAV-AOUSDQRYSA-N -1 0 314.363 -0.228 20 0 DBADRM CN1CCN(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC001604220761 1018328053 /nfs/dbraw/zinc/32/80/53/1018328053.db2.gz BYKXSYIFYXGENJ-LBPRGKRZSA-N -1 0 313.379 -0.106 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C1 ZINC001604228366 1018329148 /nfs/dbraw/zinc/32/91/48/1018329148.db2.gz UPOPKUGSNZORSR-QWRGUYRKSA-N -1 0 306.384 -0.414 20 0 DBADRM CNC(=O)C[C@H](NC(=O)C(=O)NCCC(=O)[O-])c1ccccc1 ZINC001604231887 1018329708 /nfs/dbraw/zinc/32/97/08/1018329708.db2.gz IWHFYLYOEKJCOS-NSHDSACASA-N -1 0 321.333 -0.429 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)Nc2ccnc(C(=O)[O-])c2)CCO1 ZINC001604232015 1018329968 /nfs/dbraw/zinc/32/99/68/1018329968.db2.gz LCNRRZVLCWMVEA-SNVBAGLBSA-N -1 0 308.294 -0.242 20 0 DBADRM CNC(=O)CN1CCN(C(=O)Nc2ccnc(C(=O)[O-])c2)CC1 ZINC001604237153 1018330033 /nfs/dbraw/zinc/33/00/33/1018330033.db2.gz XRRWVRPSPQDRBK-UHFFFAOYSA-N -1 0 321.337 -0.325 20 0 DBADRM CCC[C@@H]1C[C@H]1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001604238000 1018330443 /nfs/dbraw/zinc/33/04/43/1018330443.db2.gz IUAKDPIFJDQFLC-RKDXNWHRSA-N -1 0 305.346 -0.054 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001604231876 1018330835 /nfs/dbraw/zinc/33/08/35/1018330835.db2.gz ISNIHCFPOMWWGR-UTLUCORTSA-N -1 0 319.383 -0.716 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC001604227350 1018330863 /nfs/dbraw/zinc/33/08/63/1018330863.db2.gz BSZKRGBNGUONPT-NEPJUHHUSA-N -1 0 306.318 -0.344 20 0 DBADRM C[C@@H](Cc1ccsc1)NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001604237985 1018330876 /nfs/dbraw/zinc/33/08/76/1018330876.db2.gz BOPRKJCJDNXCEF-QMMMGPOBSA-N -1 0 312.347 -0.547 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001604248492 1018331570 /nfs/dbraw/zinc/33/15/70/1018331570.db2.gz FHOVZTKJTNRFEZ-UWVGGRQHSA-N -1 0 309.326 -0.894 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001604247233 1018331693 /nfs/dbraw/zinc/33/16/93/1018331693.db2.gz NZZAGZBUUSZYTR-SDDRHHMPSA-N -1 0 322.365 -0.043 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001604248909 1018331837 /nfs/dbraw/zinc/33/18/37/1018331837.db2.gz BLYFDRIGWVOUCI-UHFFFAOYSA-N -1 0 321.399 -0.132 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001604248995 1018332260 /nfs/dbraw/zinc/33/22/60/1018332260.db2.gz CTSQLDUPNLHQEY-GARJFASQSA-N -1 0 318.395 -0.115 20 0 DBADRM C[C@@](Cn1cccn1)(NCC(=O)N=S(C)(C)=O)C(=O)[O-] ZINC001604243142 1018332329 /nfs/dbraw/zinc/33/23/29/1018332329.db2.gz AJRYUIPDQISYAC-NSHDSACASA-N -1 0 302.356 -0.430 20 0 DBADRM CNS(=O)(=O)c1ccc(CCNC(=O)[C@H](C)C(=O)[O-])cc1 ZINC001604248631 1018332402 /nfs/dbraw/zinc/33/24/02/1018332402.db2.gz ICZRPJSEOVDIEN-VIFPVBQESA-N -1 0 314.363 -0.026 20 0 DBADRM C[C@H](Cn1cncn1)N1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001604248395 1018332427 /nfs/dbraw/zinc/33/24/27/1018332427.db2.gz CMQBKRPXVJOTTF-KXUCPTDWSA-N -1 0 307.310 -0.206 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001604249054 1018332452 /nfs/dbraw/zinc/33/24/52/1018332452.db2.gz DVQKDALYBNKTSX-NKWVEPMBSA-N -1 0 310.314 -0.261 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(N)=O ZINC001604241705 1018332802 /nfs/dbraw/zinc/33/28/02/1018332802.db2.gz FMSWMDZUWSOFBG-IMSIIYSGSA-N -1 0 308.338 -0.256 20 0 DBADRM C[C@H](Cn1cncn1)N1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001604248396 1018332824 /nfs/dbraw/zinc/33/28/24/1018332824.db2.gz CMQBKRPXVJOTTF-OPRDCNLKSA-N -1 0 307.310 -0.206 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001604248428 1018332941 /nfs/dbraw/zinc/33/29/41/1018332941.db2.gz DFJBVDMBPMVONZ-HZMBPMFUSA-N -1 0 323.353 -0.504 20 0 DBADRM CNS(=O)(=O)N1CCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC1 ZINC001604250048 1018334089 /nfs/dbraw/zinc/33/40/89/1018334089.db2.gz XIROISUKVZPOKW-VIFPVBQESA-N -1 0 321.399 -0.658 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001604249975 1018334347 /nfs/dbraw/zinc/33/43/47/1018334347.db2.gz VTHLWBHOCLZGAK-SNVBAGLBSA-N -1 0 321.399 -0.178 20 0 DBADRM CCN(C(=O)Cc1noc(C)c1-c1nn[nH]n1)[C@@H]1CCNC1=O ZINC001604260367 1018334544 /nfs/dbraw/zinc/33/45/44/1018334544.db2.gz PKNPAYYIJZSPOV-SECBINFHSA-N -1 0 319.325 -0.557 20 0 DBADRM COC(=O)[C@H](C)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604262372 1018336542 /nfs/dbraw/zinc/33/65/42/1018336542.db2.gz FIVSNUYAKZWNSG-BDAKNGLRSA-N -1 0 300.311 -0.765 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NCCC(=O)[O-] ZINC001604263457 1018338169 /nfs/dbraw/zinc/33/81/69/1018338169.db2.gz WEPPIXFJVTUFRB-MRVPVSSYSA-N -1 0 302.327 -0.329 20 0 DBADRM C[C@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)[C@H]1CN(C)CCO1 ZINC001604277087 1018339635 /nfs/dbraw/zinc/33/96/35/1018339635.db2.gz JEKIQLKKZFDHSP-CMPLNLGQSA-N -1 0 323.349 -0.618 20 0 DBADRM CCN(C)C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001604268306 1018339684 /nfs/dbraw/zinc/33/96/84/1018339684.db2.gz OFMVNNAUVSZNDX-UHFFFAOYSA-N -1 0 304.310 -0.220 20 0 DBADRM COC(=O)[C@@]1(C)C[C@H](OC)CN1CCS(=O)(=O)CC(=O)[O-] ZINC001604272747 1018339758 /nfs/dbraw/zinc/33/97/58/1018339758.db2.gz ZEHGZIAOCOFDPG-JOYOIKCWSA-N -1 0 323.367 -0.862 20 0 DBADRM CCN(CC(N)=O)S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001604277042 1018339858 /nfs/dbraw/zinc/33/98/58/1018339858.db2.gz KBXPENRLIVHTLQ-UHFFFAOYSA-N -1 0 316.368 -0.576 20 0 DBADRM C[C@@](NC(=O)CN1CC(=O)NC1=O)(C(=O)[O-])c1ccc(F)cc1 ZINC001604274681 1018339968 /nfs/dbraw/zinc/33/99/68/1018339968.db2.gz HCRDTKJOHIPZFR-AWEZNQCLSA-N -1 0 323.280 -0.207 20 0 DBADRM COC(=O)[C@]1(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)CCOC1 ZINC001604276339 1018340323 /nfs/dbraw/zinc/34/03/23/1018340323.db2.gz ZWKKYUGWTGVBBN-QWHCGFSZSA-N -1 0 301.295 -0.684 20 0 DBADRM COC(=O)[C@H](NCC(=O)NCC(=O)[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC001604271318 1018340890 /nfs/dbraw/zinc/34/08/90/1018340890.db2.gz KJMONNQMVRRKKY-GIPNMCIBSA-N -1 0 316.354 -0.476 20 0 DBADRM COC(=O)[C@]1(C)C[C@@H](OC)CN1CCS(=O)(=O)CC(=O)[O-] ZINC001604272752 1018340992 /nfs/dbraw/zinc/34/09/92/1018340992.db2.gz ZEHGZIAOCOFDPG-SKDRFNHKSA-N -1 0 323.367 -0.862 20 0 DBADRM COC(=O)[C@@]1(NC(=O)c2cc(C(=O)[O-])nn2C)CCSC1 ZINC001604275687 1018341140 /nfs/dbraw/zinc/34/11/40/1018341140.db2.gz IGCZWKRBGIHSOF-GFCCVEGCSA-N -1 0 313.335 -0.103 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)Nc2n[nH]cc2C(=O)[O-])C1=O ZINC001604290496 1018342328 /nfs/dbraw/zinc/34/23/28/1018342328.db2.gz OZYDIQNNYSDSPW-ZETCQYMHSA-N -1 0 324.293 -0.542 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)COCC(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001604289301 1018342500 /nfs/dbraw/zinc/34/25/00/1018342500.db2.gz CWYTXDCHBXSQIX-RKDXNWHRSA-N -1 0 317.294 -0.959 20 0 DBADRM C[C@H](NC(=O)NCCOCC(=O)[O-])[C@H](C)N1CCOCC1 ZINC001604287754 1018342541 /nfs/dbraw/zinc/34/25/41/1018342541.db2.gz POHWIGUMIACVIP-QWRGUYRKSA-N -1 0 303.359 -0.504 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)CNC(C)=O)C[C@@H]2C(=O)[O-] ZINC001604285856 1018342772 /nfs/dbraw/zinc/34/27/72/1018342772.db2.gz ZUNFKMJNWYQCAZ-OPASDULOSA-N -1 0 312.322 -0.765 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H](C)C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001604290761 1018343232 /nfs/dbraw/zinc/34/32/32/1018343232.db2.gz QGMNTPMPYPBLQX-IWSPIJDZSA-N -1 0 301.295 -0.340 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H]1C[C@@H](O)C1)C[C@H]2C(=O)[O-] ZINC001604283257 1018343758 /nfs/dbraw/zinc/34/37/58/1018343758.db2.gz FEBWOGSCUYZADK-YTXKUSLOSA-N -1 0 311.334 -0.130 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)CCCCNC(N)=O ZINC001604303113 1018345053 /nfs/dbraw/zinc/34/50/53/1018345053.db2.gz JFHJPJNCDCPSEN-UHFFFAOYSA-N -1 0 303.315 -0.699 20 0 DBADRM COC(=O)CC1CC(NC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC001604299288 1018345103 /nfs/dbraw/zinc/34/51/03/1018345103.db2.gz REKXSHVANURWOF-RTBKNWGFSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)[C@H]1CN(C)CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001604293585 1018345593 /nfs/dbraw/zinc/34/55/93/1018345593.db2.gz VAHGBYRILHWDQY-HZMBPMFUSA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001604303650 1018350342 /nfs/dbraw/zinc/35/03/42/1018350342.db2.gz VIGIUACVMIPTTD-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)[C@@H]1CSCCN(CN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC001604292628 1018346563 /nfs/dbraw/zinc/34/65/63/1018346563.db2.gz JLCYGIUJNALBBB-ZJUUUORDSA-N -1 0 316.379 -0.285 20 0 DBADRM C[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)[C@@H]1CN(C)CCO1 ZINC001604306334 1018348721 /nfs/dbraw/zinc/34/87/21/1018348721.db2.gz QUHCKTPTMHGPKC-CSYMLDBXSA-N -1 0 300.355 -0.300 20 0 DBADRM COC(=O)CCC1CCN(C(=O)C(=O)NCCC(=O)[O-])CC1 ZINC001604304468 1018349974 /nfs/dbraw/zinc/34/99/74/1018349974.db2.gz QXACSEHPQIMOLX-UHFFFAOYSA-N -1 0 314.338 -0.231 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@@H](OC)c1cnn(C)c1)C(=O)[O-] ZINC001604317627 1018351155 /nfs/dbraw/zinc/35/11/55/1018351155.db2.gz DEKSJJQRZJYZRK-ONGXEEELSA-N -1 0 313.310 -0.370 20 0 DBADRM COC(=O)CCN1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)[C@@H](C)C1 ZINC001604317475 1018351417 /nfs/dbraw/zinc/35/14/17/1018351417.db2.gz WHWDEPIOTRLUAL-VIFPVBQESA-N -1 0 324.337 -0.183 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@@H]1CCCn2ncnc21)C(=O)[O-] ZINC001604318102 1018351485 /nfs/dbraw/zinc/35/14/85/1018351485.db2.gz ORUKEVYCDRNAMA-BDAKNGLRSA-N -1 0 310.310 -0.322 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1)C(=O)[O-] ZINC001604318298 1018351500 /nfs/dbraw/zinc/35/15/00/1018351500.db2.gz RWGJQNOCFLTIST-UTLUCORTSA-N -1 0 314.338 -0.199 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H](OC)c1cnn(C)c1)C(=O)[O-] ZINC001604317626 1018352343 /nfs/dbraw/zinc/35/23/43/1018352343.db2.gz DEKSJJQRZJYZRK-GXSJLCMTSA-N -1 0 313.310 -0.370 20 0 DBADRM COC(=O)CC[C@H](NC(=O)/C=C\CN1CCOCC1)C(=O)[O-] ZINC001604318113 1018352637 /nfs/dbraw/zinc/35/26/37/1018352637.db2.gz OYDKNMFBDFVOOS-QUCGXOGASA-N -1 0 314.338 -0.603 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@@H]1CCCc2nn[nH]c21)C(=O)[O-] ZINC001604317604 1018352958 /nfs/dbraw/zinc/35/29/58/1018352958.db2.gz CHUSLFUTCJBARQ-APPZFPTMSA-N -1 0 310.310 -0.253 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H]1C[C@@H](C(=O)OC)C1)C(=O)[O-] ZINC001604321518 1018353392 /nfs/dbraw/zinc/35/33/92/1018353392.db2.gz YLANLNDMMYQIKK-YIZRAAEISA-N -1 0 301.295 -0.292 20 0 DBADRM C[C@@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)C(=O)NCCF ZINC001604349805 1018355913 /nfs/dbraw/zinc/35/59/13/1018355913.db2.gz BHTCYAOYGGFAED-MRVPVSSYSA-N -1 0 310.347 -0.365 20 0 DBADRM CCN1CC[C@@H](OC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1=O ZINC001604340932 1018355995 /nfs/dbraw/zinc/35/59/95/1018355995.db2.gz PBMXQFYILMXAEP-JGVFFNPUSA-N -1 0 320.313 -0.817 20 0 DBADRM C[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])[C@H]1CN(C)CCO1 ZINC001604351581 1018356820 /nfs/dbraw/zinc/35/68/20/1018356820.db2.gz WVIGQMSSCFQXHX-VHSXEESVSA-N -1 0 308.400 -0.264 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001604358607 1018359139 /nfs/dbraw/zinc/35/91/39/1018359139.db2.gz OFWNXIRKFDFGRI-SECBINFHSA-N -1 0 314.363 -0.132 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CCCO2)C[C@@H](C)O1 ZINC001604354458 1018360019 /nfs/dbraw/zinc/36/00/19/1018360019.db2.gz JCXFXQVVECZAFE-ZDMBXUJBSA-N -1 0 301.295 -0.591 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)C(N)=O ZINC001604355098 1018360527 /nfs/dbraw/zinc/36/05/27/1018360527.db2.gz CBQBGMIJASBNBR-LURJTMIESA-N -1 0 304.299 -0.395 20 0 DBADRM CCOC(=O)[C@@H](C)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604360598 1018361173 /nfs/dbraw/zinc/36/11/73/1018361173.db2.gz DHJQVTUBUUJTGQ-YUMQZZPRSA-N -1 0 322.329 -0.665 20 0 DBADRM C[C@@H](Nc1ncc(C(=O)[O-])cn1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001604364776 1018361321 /nfs/dbraw/zinc/36/13/21/1018361321.db2.gz PMMSDMUUVWINDF-BDAKNGLRSA-N -1 0 321.337 -0.301 20 0 DBADRM COC(=O)c1cc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)ccn1 ZINC001604368988 1018361612 /nfs/dbraw/zinc/36/16/12/1018361612.db2.gz HBCJZIBPOVXWML-SNVBAGLBSA-N -1 0 322.273 -0.290 20 0 DBADRM C[C@](O)(CNC(=O)c1ccccc1Cn1cncn1)C(=O)[O-] ZINC001604373335 1018362465 /nfs/dbraw/zinc/36/24/65/1018362465.db2.gz MSJZEWYITYFJDN-AWEZNQCLSA-N -1 0 304.306 -0.108 20 0 DBADRM COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCOC[C@H]2C(=O)[O-])C1 ZINC001604359862 1018362897 /nfs/dbraw/zinc/36/28/97/1018362897.db2.gz WILSPZDQZFFJIK-AXFHLTTASA-N -1 0 315.322 -0.343 20 0 DBADRM CCOC(=O)C[C@H](O)Cn1c(=O)ccc(-c2nnn[n-]2)c1OC ZINC001604371409 1018363085 /nfs/dbraw/zinc/36/30/85/1018363085.db2.gz CTEMKCRANYJWBK-QMMMGPOBSA-N -1 0 323.309 -0.649 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001604377289 1018364532 /nfs/dbraw/zinc/36/45/32/1018364532.db2.gz BTEUGCASKJCDDG-RDDDGLTNSA-N -1 0 309.322 -0.063 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001604377290 1018364742 /nfs/dbraw/zinc/36/47/42/1018364742.db2.gz BTEUGCASKJCDDG-WRWORJQWSA-N -1 0 309.322 -0.063 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)OCC(=O)CCC(=O)[O-] ZINC001604379033 1018365102 /nfs/dbraw/zinc/36/51/02/1018365102.db2.gz RCGZLUVBGSELET-AWEZNQCLSA-N -1 0 311.290 -0.424 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001604378116 1018365753 /nfs/dbraw/zinc/36/57/53/1018365753.db2.gz JWNYPLARXNGMTD-KCJUWKMLSA-N -1 0 300.355 -0.121 20 0 DBADRM C[C@](O)(CNC(=O)[C@@]1(C)Oc2ccccc2NC1=O)C(=O)[O-] ZINC001604373895 1018366326 /nfs/dbraw/zinc/36/63/26/1018366326.db2.gz PNNPAQVGYIFEAM-UONOGXRCSA-N -1 0 308.290 -0.272 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001604384903 1018368432 /nfs/dbraw/zinc/36/84/32/1018368432.db2.gz YPQXECZLRIHLAJ-MJDLHHQISA-N -1 0 312.366 -0.169 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)C1 ZINC001604381247 1018368501 /nfs/dbraw/zinc/36/85/01/1018368501.db2.gz STQKHCAYVOJZOB-DLOVCJGASA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H](O)CN(CC(F)F)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001604386218 1018368559 /nfs/dbraw/zinc/36/85/59/1018368559.db2.gz DXPCLINGWZNFIH-IUCAKERBSA-N -1 0 322.308 -0.216 20 0 DBADRM COC(=O)c1ccc(C(=O)NCCOCCOCC(=O)[O-])o1 ZINC001604382500 1018369287 /nfs/dbraw/zinc/36/92/87/1018369287.db2.gz RCUQCPKSNSYPFP-UHFFFAOYSA-N -1 0 315.278 -0.086 20 0 DBADRM O=C(C[C@H]1C=CCC1)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500631343 1018369576 /nfs/dbraw/zinc/36/95/76/1018369576.db2.gz MRFQTOVCLGFBAY-NHYWBVRUSA-N -1 0 321.381 -0.080 20 0 DBADRM C[C@H](OC(=O)C1(C(=O)[O-])CC1)C(=O)NCCN1CCOCC1 ZINC001604391929 1018370065 /nfs/dbraw/zinc/37/00/65/1018370065.db2.gz GEQLQHJURBTXAK-JTQLQIEISA-N -1 0 314.338 -0.769 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001604387628 1018371217 /nfs/dbraw/zinc/37/12/17/1018371217.db2.gz ZCGAEIVDMIILAU-MNOVXSKESA-N -1 0 313.354 -0.048 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)[C@@H](C)C1 ZINC001604387749 1018371542 /nfs/dbraw/zinc/37/15/42/1018371542.db2.gz VRKYKBRDNDVNRX-YFKTTZPYSA-N -1 0 300.355 -0.468 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001604387657 1018371739 /nfs/dbraw/zinc/37/17/39/1018371739.db2.gz ZPWUGQCHPFRYQV-MRVPVSSYSA-N -1 0 321.326 -0.112 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCS(=O)(=O)C1)c1cn(CC(=O)[O-])nn1 ZINC001604396611 1018371782 /nfs/dbraw/zinc/37/17/82/1018371782.db2.gz HSHNVIANEAPGFO-YUMQZZPRSA-N -1 0 317.323 -0.598 20 0 DBADRM CCOC1(C)CN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001604405523 1018373194 /nfs/dbraw/zinc/37/31/94/1018373194.db2.gz AOZMJBPATFDJOL-QMMMGPOBSA-N -1 0 306.330 -0.343 20 0 DBADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])n1C)C(=O)N1CCNC1=O ZINC001604411094 1018374149 /nfs/dbraw/zinc/37/41/49/1018374149.db2.gz ZJECWKOYPHMCGB-ZETCQYMHSA-N -1 0 309.278 -0.180 20 0 DBADRM C[C@@H](OC(=O)c1ccc(-n2cncn2)nc1)C(=O)NCC(=O)[O-] ZINC001604408392 1018374529 /nfs/dbraw/zinc/37/45/29/1018374529.db2.gz CXBFWLIFNCQPTI-MRVPVSSYSA-N -1 0 319.277 -0.592 20 0 DBADRM C[C@@H](OC(=O)c1ccc(NCC(N)=O)cc1)C(=O)NCC(=O)[O-] ZINC001604414445 1018375295 /nfs/dbraw/zinc/37/52/95/1018375295.db2.gz UBAVEHPSOXAANV-MRVPVSSYSA-N -1 0 323.305 -0.670 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)OC[C@@H]1CCCO1)C(=O)[O-] ZINC001604423151 1018376943 /nfs/dbraw/zinc/37/69/43/1018376943.db2.gz VDEPVZMCIJQDTF-NAKRPEOUSA-N -1 0 316.354 -0.336 20 0 DBADRM C[C@@H](OC(=O)c1ccoc1CC(N)=O)c1cn(CC(=O)[O-])nn1 ZINC001604417196 1018377394 /nfs/dbraw/zinc/37/73/94/1018377394.db2.gz ZZPDWNCSMXIYMS-SSDOTTSWSA-N -1 0 322.277 -0.099 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@](C)(C(=O)N(C)C)C(F)(F)F ZINC001604423714 1018378075 /nfs/dbraw/zinc/37/80/75/1018378075.db2.gz HLNFWHMCQJMXHD-ANLVUFKYSA-N -1 0 300.233 -0.389 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC001604422636 1018378553 /nfs/dbraw/zinc/37/85/53/1018378553.db2.gz UBEXOSMETJVVBL-VIFPVBQESA-N -1 0 305.352 -0.344 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001604422881 1018378641 /nfs/dbraw/zinc/37/86/41/1018378641.db2.gz UXUUGWQZMUTAHN-NXEZZACHSA-N -1 0 320.367 -0.888 20 0 DBADRM C[C@@H](OC(=O)c1cnn(C)c1-n1cccc1)C(=O)NCC(=O)[O-] ZINC001604416678 1018378807 /nfs/dbraw/zinc/37/88/07/1018378807.db2.gz AWBKHMBEILRFKE-SECBINFHSA-N -1 0 320.305 -0.043 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CSC[C@H]1C(=O)N1CCCC1 ZINC001604423720 1018379455 /nfs/dbraw/zinc/37/94/55/1018379455.db2.gz HNCRRARNKNJQFX-IUCAKERBSA-N -1 0 302.352 -0.390 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1cnc(Br)cn1 ZINC001604432533 1018379714 /nfs/dbraw/zinc/37/97/14/1018379714.db2.gz RNEWEIUGLOSHPJ-ZETCQYMHSA-N -1 0 304.100 -0.045 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC001604434515 1018380144 /nfs/dbraw/zinc/38/01/44/1018380144.db2.gz LNAZWONNROCEAH-SNVBAGLBSA-N -1 0 316.335 -0.226 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC001604424504 1018382363 /nfs/dbraw/zinc/38/23/63/1018382363.db2.gz QLQQXFPOEMEDIF-DCAQKATOSA-N -1 0 301.339 -0.088 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001604459861 1018382829 /nfs/dbraw/zinc/38/28/29/1018382829.db2.gz WVNCJSGSXRRSEO-CBAPKCEASA-N -1 0 324.366 -0.169 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC001604438679 1018383039 /nfs/dbraw/zinc/38/30/39/1018383039.db2.gz XGBLXGIUPANYAC-UHFFFAOYSA-N -1 0 319.325 -0.538 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC(CN2CCNC2=O)CC1 ZINC001604451712 1018383596 /nfs/dbraw/zinc/38/35/96/1018383596.db2.gz XYIJHLDIRMPMBM-AWEZNQCLSA-N -1 0 313.354 -0.260 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2cc(F)ncn2)CC1 ZINC001604455125 1018384130 /nfs/dbraw/zinc/38/41/30/1018384130.db2.gz OXCRVATZTDRQOB-ZDUSSCGKSA-N -1 0 312.301 -0.246 20 0 DBADRM C[C@@H](Oc1cccc(CO)c1)C(=O)NCC(=O)NCC(=O)[O-] ZINC001604441714 1018384346 /nfs/dbraw/zinc/38/43/46/1018384346.db2.gz SGJXNZOJWWTJFZ-SECBINFHSA-N -1 0 310.306 -0.737 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CC2(C1)CC(=O)Nc1nccn12 ZINC001604451106 1018385246 /nfs/dbraw/zinc/38/52/46/1018385246.db2.gz PXPMJKOJKHKPTN-GFCCVEGCSA-N -1 0 308.294 -0.748 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCc1nc(-c2ccccn2)n[nH]1 ZINC001604463933 1018386058 /nfs/dbraw/zinc/38/60/58/1018386058.db2.gz TYIGLRUCUGSPRC-ZDUSSCGKSA-N -1 0 305.294 -0.027 20 0 DBADRM COC(OC)[C@H](C)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001604480918 1018386375 /nfs/dbraw/zinc/38/63/75/1018386375.db2.gz QHSAMVSLRSPMJA-RVBZMBCESA-N -1 0 302.327 -0.264 20 0 DBADRM C[C@H](c1ccccc1F)[C@@H](O)C(=O)NCC(=O)NCC(=O)[O-] ZINC001604470610 1018386828 /nfs/dbraw/zinc/38/68/28/1018386828.db2.gz JFXQGOSPWJGBJP-AMIZOPFISA-N -1 0 312.297 -0.393 20 0 DBADRM C[C@H](c1nc(N)nc(N(C)C)n1)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001604479615 1018386886 /nfs/dbraw/zinc/38/68/86/1018386886.db2.gz WGYADCVZXNCKOQ-HRDYMLBCSA-N -1 0 310.358 -0.652 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)OCc1nc2c(cnn2C)c(=O)[nH]1 ZINC001604473255 1018387410 /nfs/dbraw/zinc/38/74/10/1018387410.db2.gz UJLIXQPKTAKZIZ-LBPRGKRZSA-N -1 0 310.266 -0.398 20 0 DBADRM CO[C@H](C)c1noc(CN(C)[C@H]2CCN(CC(=O)[O-])C2=O)n1 ZINC001604471701 1018387524 /nfs/dbraw/zinc/38/75/24/1018387524.db2.gz XJNUWRKUTWURMM-BDAKNGLRSA-N -1 0 312.326 -0.106 20 0 DBADRM C[C@@H](c1cnn(C)c1)c1nnc(N2CCO[C@H](C(=O)[O-])C2)n1C ZINC001604475814 1018387658 /nfs/dbraw/zinc/38/76/58/1018387658.db2.gz WOOCSOOVOCPETL-ONGXEEELSA-N -1 0 320.353 -0.010 20 0 DBADRM C[C@H](c1nnnn1C)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001604480238 1018387700 /nfs/dbraw/zinc/38/77/00/1018387700.db2.gz ITYQKLKMDZPLCW-MRVPVSSYSA-N -1 0 306.330 -0.102 20 0 DBADRM CO[C@@H](CNC(=O)c1cccn(CC(=O)[O-])c1=O)[C@@H]1CCOC1 ZINC001604481447 1018387958 /nfs/dbraw/zinc/38/79/58/1018387958.db2.gz MOJXDNBTOVFFNJ-PWSUYJOCSA-N -1 0 324.333 -0.286 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CCOC1 ZINC001604487495 1018389694 /nfs/dbraw/zinc/38/96/94/1018389694.db2.gz OEAOYJRSHKKLFV-ZIAGYGMSSA-N -1 0 314.338 -0.769 20 0 DBADRM C[C@@]1(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CCNC1=O ZINC001604485861 1018390449 /nfs/dbraw/zinc/39/04/49/1018390449.db2.gz PHSGTTGTJSUREH-AMIZOPFISA-N -1 0 300.311 -0.765 20 0 DBADRM C[C@@]1(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CCNC(=O)C1 ZINC001604484881 1018390687 /nfs/dbraw/zinc/39/06/87/1018390687.db2.gz VFKVABDPAFVTQO-ZIAGYGMSSA-N -1 0 309.322 -0.265 20 0 DBADRM COC1CC(CCNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001604491601 1018392559 /nfs/dbraw/zinc/39/25/59/1018392559.db2.gz FHNWZKOELKPMBZ-UHFFFAOYSA-N -1 0 324.337 -0.163 20 0 DBADRM COC1(Cn2nnnc2N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCC1 ZINC001604491555 1018393186 /nfs/dbraw/zinc/39/31/86/1018393186.db2.gz DBEWGMZYXMVDIU-QMTHXVAHSA-N -1 0 323.353 -0.220 20 0 DBADRM CCc1c(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)cnn1C ZINC001604504349 1018393910 /nfs/dbraw/zinc/39/39/10/1018393910.db2.gz UOQRQWZDHIPYRY-UHFFFAOYSA-N -1 0 316.329 -0.816 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001604515458 1018394090 /nfs/dbraw/zinc/39/40/90/1018394090.db2.gz UWOFUJXBLDZNKW-DCAQKATOSA-N -1 0 315.370 -0.110 20 0 DBADRM CC1(C(N)=O)CN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C1 ZINC001604506334 1018394431 /nfs/dbraw/zinc/39/44/31/1018394431.db2.gz ULQCZXPHECBTNQ-UHFFFAOYSA-N -1 0 313.335 -0.656 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCCN2CCOCC2)C1 ZINC001604501949 1018394829 /nfs/dbraw/zinc/39/48/29/1018394829.db2.gz LQWYFOUMZVNVHC-ZDUSSCGKSA-N -1 0 320.411 -0.165 20 0 DBADRM CC1(C(N)=O)CN(C(=O)C(=O)Nc2sccc2C(=O)[O-])C1 ZINC001604505908 1018394883 /nfs/dbraw/zinc/39/48/83/1018394883.db2.gz KPQJRFQQEIYGRF-UHFFFAOYSA-N -1 0 311.319 -0.281 20 0 DBADRM CO[C@@H]1COCC[C@H]1CC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001604505251 1018395030 /nfs/dbraw/zinc/39/50/30/1018395030.db2.gz SOKLOUMUZUYOFZ-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM CO[C@@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)[C@@](C)(CO)C1 ZINC001604504565 1018395210 /nfs/dbraw/zinc/39/52/10/1018395210.db2.gz CLIRRVQDNGHKQN-ZUZCIYMTSA-N -1 0 324.333 -0.455 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2COCC[C@H]2OC)C1 ZINC001604533934 1018396141 /nfs/dbraw/zinc/39/61/41/1018396141.db2.gz QRCGLGHENZHTBD-GYSYKLTISA-N -1 0 316.354 -0.077 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC001604526365 1018396250 /nfs/dbraw/zinc/39/62/50/1018396250.db2.gz GUFMVYUEBUATKD-OAHLLOKOSA-N -1 0 321.333 -0.239 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccnc3n[nH]nc32)C1 ZINC001604535734 1018397518 /nfs/dbraw/zinc/39/75/18/1018397518.db2.gz KUZKXCXFCCBYDV-CYBMUJFWSA-N -1 0 305.294 -0.084 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)CO1 ZINC001604518495 1018397932 /nfs/dbraw/zinc/39/79/32/1018397932.db2.gz IOKJIEMKXHIZSP-BXKDBHETSA-N -1 0 307.368 -0.035 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CO1 ZINC001604519534 1018398268 /nfs/dbraw/zinc/39/82/68/1018398268.db2.gz SPVRNBRLGPRVCZ-BDAKNGLRSA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)COC[C@H]2CCCO2)CCO1 ZINC001604551247 1018399009 /nfs/dbraw/zinc/39/90/09/1018399009.db2.gz PRDBXSKWKBMVED-BXUZGUMPSA-N -1 0 317.338 -0.489 20 0 DBADRM CC1(C)CS(=O)(=O)CCN1CCc1cn(CC(=O)[O-])nn1 ZINC001604553164 1018399796 /nfs/dbraw/zinc/39/97/96/1018399796.db2.gz NJESPMYHLMDBAW-UHFFFAOYSA-N -1 0 316.383 -0.586 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)/C=C/c2cn(C)cn2)CCO1 ZINC001604551547 1018399971 /nfs/dbraw/zinc/39/99/71/1018399971.db2.gz RPDPTYGDPPWWTN-XGACYXMMSA-N -1 0 309.322 -0.238 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)Cc2cncc(O)c2)CCO1 ZINC001604551855 1018400019 /nfs/dbraw/zinc/40/00/19/1018400019.db2.gz WWMCDZSPXRVWSW-AWEZNQCLSA-N -1 0 310.306 -0.342 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC001604556544 1018400030 /nfs/dbraw/zinc/40/00/30/1018400030.db2.gz ASQGRVMKNRAUQX-WCQYABFASA-N -1 0 321.395 -0.387 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCc2nocc2C)CCO1 ZINC001604550145 1018400054 /nfs/dbraw/zinc/40/00/54/1018400054.db2.gz IQTBJVQNYIUZBW-CYBMUJFWSA-N -1 0 313.310 -0.005 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@@H]2CCn3ccnc32)CCO1 ZINC001604549096 1018400238 /nfs/dbraw/zinc/40/02/38/1018400238.db2.gz CZSXWXIQXGDXNU-YGRLFVJLSA-N -1 0 324.337 -0.161 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CC(=O)N2CCO[C@@H](C)C2)CCO1 ZINC001604558562 1018401272 /nfs/dbraw/zinc/40/12/72/1018401272.db2.gz PHWREESFBGEZLC-FZMZJTMJSA-N -1 0 316.354 -0.964 20 0 DBADRM CC1(C)OC[C@H]2C[C@]21NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001604560184 1018401300 /nfs/dbraw/zinc/40/13/00/1018401300.db2.gz PZTSFGHXIXQZOA-OQPBUACISA-N -1 0 309.326 -0.157 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CC[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC001604556658 1018401503 /nfs/dbraw/zinc/40/15/03/1018401503.db2.gz BMPISYMQLLGHPC-DGCLKSJQSA-N -1 0 321.395 -0.387 20 0 DBADRM CCc1nc(NC[C@@H]2CC(C(N)=O)=NO2)cc(-c2nn[nH]n2)n1 ZINC001604563932 1018401767 /nfs/dbraw/zinc/40/17/67/1018401767.db2.gz ZCQIOPYTXOATTP-LURJTMIESA-N -1 0 317.313 -0.739 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H](C)NC(=O)OC)CCO1 ZINC001604558004 1018401801 /nfs/dbraw/zinc/40/18/01/1018401801.db2.gz SMSYNQZGOCGXHV-QPUJVOFHSA-N -1 0 304.299 -0.941 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2c[nH]c(C)cc2=O)CCO1 ZINC001604558537 1018401990 /nfs/dbraw/zinc/40/19/90/1018401990.db2.gz XKXWJYLUEBJQFZ-CQSZACIVSA-N -1 0 310.306 -0.374 20 0 DBADRM CC1(C)OC[C@@H](CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])O1 ZINC001604560304 1018402191 /nfs/dbraw/zinc/40/21/91/1018402191.db2.gz QPRLFKZUNWZVIV-VHSXEESVSA-N -1 0 307.368 -0.288 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)Cc2ccon2)CCO1 ZINC001604564385 1018402670 /nfs/dbraw/zinc/40/26/70/1018402670.db2.gz JTNLLQMVFHBWKA-LLVKDONJSA-N -1 0 320.323 -0.694 20 0 DBADRM C[C@]1(CN2C(=O)[C@H]3CC[C@H](C(=O)[O-])CN3C2=O)CCC(=O)N1 ZINC001604571491 1018404271 /nfs/dbraw/zinc/40/42/71/1018404271.db2.gz NCIMAWYBXZJAPD-ATEUNZGCSA-N -1 0 309.322 -0.218 20 0 DBADRM C[C@]1(CCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CCC(=O)N1 ZINC001604571403 1018405303 /nfs/dbraw/zinc/40/53/03/1018405303.db2.gz JTUNFMIXMHCRCG-HZMBPMFUSA-N -1 0 308.338 -0.030 20 0 DBADRM C[C@@]1(CCC(=O)[O-])NC(=O)N(CN2CCC3(COC3)C2)C1=O ZINC001604571710 1018406625 /nfs/dbraw/zinc/40/66/25/1018406625.db2.gz MHVJQAODFVRWLU-ZDUSSCGKSA-N -1 0 311.338 -0.159 20 0 DBADRM CC1(CNC(=O)C(N)=O)CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001604576206 1018407008 /nfs/dbraw/zinc/40/70/08/1018407008.db2.gz ZNUPMAYXHAGBDJ-UHFFFAOYSA-N -1 0 321.337 -0.617 20 0 DBADRM C[C@@]1(CNS(=O)(=O)c2cccnc2C(=O)[O-])CCC(=O)N1 ZINC001604583797 1018407151 /nfs/dbraw/zinc/40/71/51/1018407151.db2.gz ANOMEIHXMTWJDJ-LBPRGKRZSA-N -1 0 313.335 -0.273 20 0 DBADRM COC[C@@H]1COCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001604573278 1018407445 /nfs/dbraw/zinc/40/74/45/1018407445.db2.gz BUWXXRFQGGFPLF-LLVKDONJSA-N -1 0 320.342 -0.839 20 0 DBADRM COCCC(=O)N1CCC(NC(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001604573630 1018407747 /nfs/dbraw/zinc/40/77/47/1018407747.db2.gz JIXAVKQSUBNZMU-UHFFFAOYSA-N -1 0 324.337 -0.135 20 0 DBADRM COCC[C@@](C)(O)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604573941 1018408034 /nfs/dbraw/zinc/40/80/34/1018408034.db2.gz ONUVDBZWPYNSNX-IINYFYTJSA-N -1 0 316.354 -0.787 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@](C)(O)C1 ZINC001604597312 1018408735 /nfs/dbraw/zinc/40/87/35/1018408735.db2.gz CDUMBFUUEMCTJT-AWEZNQCLSA-N -1 0 316.354 -0.691 20 0 DBADRM COCCN(C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001604584484 1018408759 /nfs/dbraw/zinc/40/87/59/1018408759.db2.gz RNPYSAVRJSTGDK-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CC1(Cn2cc(C(=O)OCC(=O)CCC(=O)[O-])nn2)COC1 ZINC001604588765 1018408899 /nfs/dbraw/zinc/40/88/99/1018408899.db2.gz WREUIHDMCRNFFJ-UHFFFAOYSA-N -1 0 311.294 -0.095 20 0 DBADRM CC1(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCN(C(=O)CC(N)=O)CC1 ZINC001604589418 1018409253 /nfs/dbraw/zinc/40/92/53/1018409253.db2.gz OOZYERIYSLUHRV-BDAKNGLRSA-N -1 0 311.338 -0.920 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001604598107 1018409437 /nfs/dbraw/zinc/40/94/37/1018409437.db2.gz XPXPWLPNZYEAKT-JTQLQIEISA-N -1 0 307.368 -0.239 20 0 DBADRM C[C@@]1(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)CCNC1=O ZINC001604596288 1018409597 /nfs/dbraw/zinc/40/95/97/1018409597.db2.gz MSFQCQYMKXYTMK-CYBMUJFWSA-N -1 0 312.347 -0.129 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCn2cncc2C1 ZINC001604597821 1018409944 /nfs/dbraw/zinc/40/99/44/1018409944.db2.gz NOHVFFVORVTVTH-UHFFFAOYSA-N -1 0 324.337 -0.825 20 0 DBADRM CC1(O)CCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)CC1 ZINC001604595533 1018410060 /nfs/dbraw/zinc/41/00/60/1018410060.db2.gz PAVGAWFPLVIXLC-NSHDSACASA-N -1 0 312.366 -0.023 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CNC(=O)c1ccccc1OC ZINC001604586576 1018410308 /nfs/dbraw/zinc/41/03/08/1018410308.db2.gz LGJMNVYBTWWWGP-UHFFFAOYSA-N -1 0 324.333 -0.015 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC001604596367 1018410416 /nfs/dbraw/zinc/41/04/16/1018410416.db2.gz KPSCIRVJQDLQLR-RYUDHWBXSA-N -1 0 317.386 -0.162 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1sccc1S(N)(=O)=O ZINC001604592598 1018410575 /nfs/dbraw/zinc/41/05/75/1018410575.db2.gz QKTSPNJRSHDFCZ-UHFFFAOYSA-N -1 0 322.364 -0.431 20 0 DBADRM C[C@]12COC[C@H]1CN(C(=O)NCCn1cc(C(=O)[O-])nn1)C2 ZINC001604607477 1018411646 /nfs/dbraw/zinc/41/16/46/1018411646.db2.gz YOPAMKXFIGXWIX-RNCFNFMXSA-N -1 0 309.326 -0.346 20 0 DBADRM CC1=C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])Cn2nnnc2N1C ZINC001604607735 1018411701 /nfs/dbraw/zinc/41/17/01/1018411701.db2.gz LANGJQQQCFBKSD-CBAPKCEASA-N -1 0 310.289 -0.580 20 0 DBADRM CC1=C(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)S(=O)(=O)CCO1 ZINC001604608140 1018412299 /nfs/dbraw/zinc/41/22/99/1018412299.db2.gz XRLYHYIBLYBBJB-IONNQARKSA-N -1 0 303.336 -0.016 20 0 DBADRM COCCNC(=O)c1cc(N2CCO[C@@H](C(=O)[O-])C2)ccn1 ZINC001604611465 1018412435 /nfs/dbraw/zinc/41/24/35/1018412435.db2.gz BBPDKCIYLWVTEU-GFCCVEGCSA-N -1 0 309.322 -0.252 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001604599842 1018412495 /nfs/dbraw/zinc/41/24/95/1018412495.db2.gz FRJMZEOXMYBAEI-SNVBAGLBSA-N -1 0 322.383 -0.446 20 0 DBADRM CC1=C(C(=O)[O-])C[C@H](CN(C)Cc2nnc3c(=O)[nH]ccn23)O1 ZINC001604609162 1018412942 /nfs/dbraw/zinc/41/29/42/1018412942.db2.gz WESMWPRIQJPINI-SECBINFHSA-N -1 0 319.321 -0.003 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]c2c(-c3nn[nH]n3)cnn2C)cn1 ZINC001604607194 1018412947 /nfs/dbraw/zinc/41/29/47/1018412947.db2.gz STUDNRANALSGRU-UHFFFAOYSA-N -1 0 323.342 -0.383 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCc1nnnn1C1CC1 ZINC001604599989 1018412999 /nfs/dbraw/zinc/41/29/99/1018412999.db2.gz HTJGWNIZWJDNHV-UHFFFAOYSA-N -1 0 312.330 -0.359 20 0 DBADRM CC1=C(C(=O)NC[C@](C)(O)C(=O)[O-])[C@@H](C)n2ncnc2N1C ZINC001604607650 1018413080 /nfs/dbraw/zinc/41/30/80/1018413080.db2.gz KHBAFOWSUABFKR-OQPBUACISA-N -1 0 309.326 -0.485 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2CCOC[C@H]2C(=O)[O-])C1=O ZINC001604614942 1018414587 /nfs/dbraw/zinc/41/45/87/1018414587.db2.gz ZETKNZCPSSWEHY-JTQLQIEISA-N -1 0 310.306 -0.606 20 0 DBADRM C[C@@H]1C(=O)NCCN1S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001604620813 1018415371 /nfs/dbraw/zinc/41/53/71/1018415371.db2.gz CJOLYYJABDJHOA-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N[C@@]2(CC(=O)[O-])CCOC2)C1=O ZINC001604614656 1018415473 /nfs/dbraw/zinc/41/54/73/1018415473.db2.gz OEPZMMSDRPBSRC-OAHLLOKOSA-N -1 0 324.333 -0.168 20 0 DBADRM COCCOC[C@H]1CCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001604618657 1018415771 /nfs/dbraw/zinc/41/57/71/1018415771.db2.gz ZCGNBUWWJZEUCL-NSHDSACASA-N -1 0 309.384 -0.529 20 0 DBADRM CCn1ncc(-c2nn[nH]n2)c1[N-]S(=O)(=O)c1ccnn1C ZINC001604618304 1018415927 /nfs/dbraw/zinc/41/59/27/1018415927.db2.gz RIFCNKGFQZHWOF-UHFFFAOYSA-N -1 0 323.342 -0.383 20 0 DBADRM COCCc1ccccc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001604628633 1018417111 /nfs/dbraw/zinc/41/71/11/1018417111.db2.gz BOWGGIASLSHVSL-HNNXBMFYSA-N -1 0 324.333 -0.234 20 0 DBADRM COCCn1cc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)[O-])CC2=O)cn1 ZINC001604629926 1018417466 /nfs/dbraw/zinc/41/74/66/1018417466.db2.gz PWDVPZZKZGYGRU-UWVGGRQHSA-N -1 0 324.337 -0.528 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001604621520 1018418191 /nfs/dbraw/zinc/41/81/91/1018418191.db2.gz XICARTFDKOEETJ-ZETCQYMHSA-N -1 0 308.294 -0.692 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC001604629477 1018418205 /nfs/dbraw/zinc/41/82/05/1018418205.db2.gz TXKCMWRDWSNYEV-UHFFFAOYSA-N -1 0 314.313 -0.383 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCn2cncc2C1 ZINC001604623511 1018418306 /nfs/dbraw/zinc/41/83/06/1018418306.db2.gz MGACJFGGPDEINQ-KOLCDFICSA-N -1 0 306.322 -0.453 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N(C)Cc1cn(C)nn1 ZINC001604624369 1018418377 /nfs/dbraw/zinc/41/83/77/1018418377.db2.gz QVGPBVQGARUADZ-PSASIEDQSA-N -1 0 309.326 -0.905 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCC(CCO)CC1 ZINC001604623303 1018418544 /nfs/dbraw/zinc/41/85/44/1018418544.db2.gz KKSPHGUBDBPWMC-JQWIXIFHSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CC(N)=O)CCCN1c1ncc(C(=O)[O-])cn1 ZINC001604647462 1018419431 /nfs/dbraw/zinc/41/94/31/1018419431.db2.gz YADBMUNXMGTPCY-SCZZXKLOSA-N -1 0 321.337 -0.476 20 0 DBADRM C[C@H]1[C@H](Nc2ncc(C(=O)[O-])cn2)CCN1C(=O)CC(N)=O ZINC001604646666 1018419544 /nfs/dbraw/zinc/41/95/44/1018419544.db2.gz PJCNULYDRVDEFR-IONNQARKSA-N -1 0 307.310 -0.549 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001604639713 1018420534 /nfs/dbraw/zinc/42/05/34/1018420534.db2.gz QPSWQMLRMIXYNN-NNYUYHANSA-N -1 0 301.339 -0.136 20 0 DBADRM COC[C@@H](C(N)=O)N(C)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001604639885 1018420694 /nfs/dbraw/zinc/42/06/94/1018420694.db2.gz WYKDQOHFZZURMC-UTLUCORTSA-N -1 0 302.327 -0.785 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001604631756 1018420702 /nfs/dbraw/zinc/42/07/02/1018420702.db2.gz AUFCWLLPNVYJRU-CBAPKCEASA-N -1 0 310.310 -0.510 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001604639711 1018420849 /nfs/dbraw/zinc/42/08/49/1018420849.db2.gz QPSWQMLRMIXYNN-KXNHARMFSA-N -1 0 301.339 -0.136 20 0 DBADRM COCc1ncc2c(n1)CCN(CN1C[C@@H](C(=O)[O-])CC1=O)C2 ZINC001604651266 1018422493 /nfs/dbraw/zinc/42/24/93/1018422493.db2.gz KTDKCXGNNLDIIZ-JTQLQIEISA-N -1 0 320.349 -0.128 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)NC2(CC(=O)[O-])CCS(=O)(=O)CC2)CO1 ZINC001604648595 1018422883 /nfs/dbraw/zinc/42/28/83/1018422883.db2.gz UYLSCUMUNGDLDQ-NXEZZACHSA-N -1 0 319.379 -0.050 20 0 DBADRM CON(C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)[C@H](C)C(=O)[O-] ZINC001604651405 1018423241 /nfs/dbraw/zinc/42/32/41/1018423241.db2.gz QLSBEBFDCGKMMD-BDAKNGLRSA-N -1 0 317.342 -0.744 20 0 DBADRM COCc1nocc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001604651537 1018423517 /nfs/dbraw/zinc/42/35/17/1018423517.db2.gz UNULWHSDIDRTHF-VIFPVBQESA-N -1 0 318.307 -0.855 20 0 DBADRM CON(C(=O)CNS(=O)(=O)c1ccccc1)[C@H](C)C(=O)[O-] ZINC001604655077 1018423575 /nfs/dbraw/zinc/42/35/75/1018423575.db2.gz IDYQBPYJDSPBKR-SECBINFHSA-N -1 0 316.335 -0.172 20 0 DBADRM CON(C(=O)c1cnc2c(c1)NC(=O)CN2C)[C@H](C)C(=O)[O-] ZINC001604660885 1018423819 /nfs/dbraw/zinc/42/38/19/1018423819.db2.gz JPJXZRYWDASEEV-SSDOTTSWSA-N -1 0 308.294 -0.053 20 0 DBADRM C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1cn(CC(=O)[O-])nn1 ZINC001604671657 1018426362 /nfs/dbraw/zinc/42/63/62/1018426362.db2.gz CIQOZPHTEOYDCE-WCQYABFASA-N -1 0 309.370 -0.342 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001604663605 1018426436 /nfs/dbraw/zinc/42/64/36/1018426436.db2.gz ZOVPGRBQQRGUEQ-MRVPVSSYSA-N -1 0 311.294 -0.929 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)[C@H](C)O1 ZINC001604672230 1018427885 /nfs/dbraw/zinc/42/78/85/1018427885.db2.gz ILIQZQUSGZEAOO-UVOCVTCTSA-N -1 0 314.338 -0.631 20 0 DBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001604672800 1018428052 /nfs/dbraw/zinc/42/80/52/1018428052.db2.gz RPAHXEKEVIJZME-XQHKEYJVSA-N -1 0 312.366 -0.060 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C(=O)O1 ZINC001604673236 1018428571 /nfs/dbraw/zinc/42/85/71/1018428571.db2.gz ULRXFHWFGXDWNU-RBDZCENOSA-N -1 0 311.294 -0.295 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)O[C@H]1C)C(=O)[O-] ZINC001604675498 1018428693 /nfs/dbraw/zinc/42/86/93/1018428693.db2.gz DXQRWHIRIXZZIQ-SQQIUAQRSA-N -1 0 301.343 -0.171 20 0 DBADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001604682556 1018429920 /nfs/dbraw/zinc/42/99/20/1018429920.db2.gz DNGXKNCTKXGYLF-WXCVZDNMSA-N -1 0 324.377 -0.311 20 0 DBADRM C[C@H]1CCCCN1S(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001604733823 1018436656 /nfs/dbraw/zinc/43/66/56/1018436656.db2.gz HCSQFPXBRJDOQR-VHSXEESVSA-N -1 0 322.383 -0.089 20 0 DBADRM C[C@@H](OC(=O)C(=O)N1CCC[C@@H](C)C1)C(=O)NCC(=O)[O-] ZINC001604733543 1018437195 /nfs/dbraw/zinc/43/71/95/1018437195.db2.gz CVLKYOPWLAXWNZ-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM C[C@H]1CCN(C(=O)C2=NN(CCO)C(=O)CC2)[C@@H](C(=O)[O-])C1 ZINC001604741346 1018437249 /nfs/dbraw/zinc/43/72/49/1018437249.db2.gz IUUQUMAYROWKAT-GXSJLCMTSA-N -1 0 311.338 -0.331 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001604758856 1018439185 /nfs/dbraw/zinc/43/91/85/1018439185.db2.gz DLHSLTVWRRONLC-OPRDCNLKSA-N -1 0 315.395 -0.030 20 0 DBADRM C[C@H]1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])[C@H]1CO ZINC001604743712 1018439942 /nfs/dbraw/zinc/43/99/42/1018439942.db2.gz ARHBBWZKMDXFAL-UWVGGRQHSA-N -1 0 301.343 -0.620 20 0 DBADRM CN(CCCO)S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001604756031 1018440266 /nfs/dbraw/zinc/44/02/66/1018440266.db2.gz YEUWTLCVJYNTAE-UHFFFAOYSA-N -1 0 303.369 -0.069 20 0 DBADRM C[C@H]1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C[C@H](CO)O1 ZINC001604768609 1018441547 /nfs/dbraw/zinc/44/15/47/1018441547.db2.gz FUWJTYWVODGDAK-NNYUYHANSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])C[C@H](C)[C@H]1O ZINC001604768840 1018441916 /nfs/dbraw/zinc/44/19/16/1018441916.db2.gz PMAUTZLMDRLZEF-XZUYRWCXSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1CCOCCN1C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001604760648 1018442697 /nfs/dbraw/zinc/44/26/97/1018442697.db2.gz QMQJVWRRFALGLB-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC(=O)N1 ZINC001604766872 1018442831 /nfs/dbraw/zinc/44/28/31/1018442831.db2.gz CRCKDAFVTVUSSW-FTGAXOIBSA-N -1 0 323.349 -0.953 20 0 DBADRM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001604766694 1018442993 /nfs/dbraw/zinc/44/29/93/1018442993.db2.gz LELPPGBKLMPPSN-XTWCZFFVSA-N -1 0 320.349 -0.123 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001604786707 1018447246 /nfs/dbraw/zinc/44/72/46/1018447246.db2.gz PJYODDABDOMTSQ-MRVPVSSYSA-N -1 0 315.351 -0.426 20 0 DBADRM CN(CCOC(C)(C)C)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604778322 1018447406 /nfs/dbraw/zinc/44/74/06/1018447406.db2.gz MDDXXFJOJXPDAE-UHFFFAOYSA-N -1 0 323.357 -0.495 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])no2)CCS(=O)(=O)C1 ZINC001604780802 1018448084 /nfs/dbraw/zinc/44/80/84/1018448084.db2.gz LXUBKSFMXKPNOA-SSDOTTSWSA-N -1 0 302.308 -0.121 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001604785475 1018448104 /nfs/dbraw/zinc/44/81/04/1018448104.db2.gz FQMYMXSQCGRMFZ-IDKOKCKLSA-N -1 0 311.338 -0.955 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001604786708 1018448856 /nfs/dbraw/zinc/44/88/56/1018448856.db2.gz PJYODDABDOMTSQ-QMMMGPOBSA-N -1 0 315.351 -0.426 20 0 DBADRM CN(C[Si](C)(C)C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001604794802 1018450912 /nfs/dbraw/zinc/45/09/12/1018450912.db2.gz IIFIVEXHWBNJNR-UHFFFAOYSA-N -1 0 323.433 -0.422 20 0 DBADRM C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001604793360 1018451335 /nfs/dbraw/zinc/45/13/35/1018451335.db2.gz WUSQHUJCIDKIPO-VIFPVBQESA-N -1 0 322.321 -0.204 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC[S@@](=O)C1 ZINC001604803782 1018453072 /nfs/dbraw/zinc/45/30/72/1018453072.db2.gz WESJRCNWKJHNOA-QOLSBQFWSA-N -1 0 321.380 -0.503 20 0 DBADRM C[C@@H]1CN(CC[S@](C)=O)[C@H](C(=O)[O-])CN1CC[S@@](C)=O ZINC001604798649 1018453087 /nfs/dbraw/zinc/45/30/87/1018453087.db2.gz WGFNSVPCHKWTFD-URSLPWQFSA-N -1 0 324.468 -0.797 20 0 DBADRM C[C@@H]1CN(CCO)CCN1C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001604796133 1018453329 /nfs/dbraw/zinc/45/33/29/1018453329.db2.gz MPFTVQOEQXIELE-LLVKDONJSA-N -1 0 307.350 -0.153 20 0 DBADRM C[C@H]1CN(CCO)CCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001604797699 1018453399 /nfs/dbraw/zinc/45/33/99/1018453399.db2.gz LOGDOLRIPWQKHJ-JTQLQIEISA-N -1 0 308.400 -0.575 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC[S@@](=O)C1 ZINC001604803785 1018453548 /nfs/dbraw/zinc/45/35/48/1018453548.db2.gz WESJRCNWKJHNOA-ZDVLTJLQSA-N -1 0 321.380 -0.503 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CC2)CCN1CCO ZINC001604802798 1018453621 /nfs/dbraw/zinc/45/36/21/1018453621.db2.gz NMNKGWFLJDMDDV-JTQLQIEISA-N -1 0 306.384 -0.821 20 0 DBADRM C[C@@H]1CN(Cn2nc(C(=O)[O-])ccc2=O)C[C@]2(CCOC2)O1 ZINC001604802580 1018454052 /nfs/dbraw/zinc/45/40/52/1018454052.db2.gz HNBTXDJUBJESNQ-YGRLFVJLSA-N -1 0 309.322 -0.221 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)CC(=O)N1 ZINC001604802417 1018454375 /nfs/dbraw/zinc/45/43/75/1018454375.db2.gz CIVCALRKHZPZJS-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@@H]1CN(Cn2nc(C(=O)[O-])ccc2=O)C[C@@]2(CCOC2)O1 ZINC001604802579 1018454563 /nfs/dbraw/zinc/45/45/63/1018454563.db2.gz HNBTXDJUBJESNQ-QMTHXVAHSA-N -1 0 309.322 -0.221 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001604819695 1018456043 /nfs/dbraw/zinc/45/60/43/1018456043.db2.gz HXJMGSLIFJCVNX-VIFPVBQESA-N -1 0 311.342 -0.040 20 0 DBADRM CN(Cc1cn(C)nn1)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001604821417 1018456747 /nfs/dbraw/zinc/45/67/47/1018456747.db2.gz FAIAVFHFBASNFZ-UHFFFAOYSA-N -1 0 301.314 -0.754 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604836848 1018459280 /nfs/dbraw/zinc/45/92/80/1018459280.db2.gz ZLNLLMQDXRJQMA-IUCAKERBSA-N -1 0 308.356 -0.936 20 0 DBADRM C[C@@H]1NC(=O)[C@H](C)N(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)[C@H]1C ZINC001604827792 1018459384 /nfs/dbraw/zinc/45/93/84/1018459384.db2.gz MTRQDHNYOYWDNA-ACZMJKKPSA-N -1 0 316.339 -0.606 20 0 DBADRM C[C@@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)c1ccnnc1 ZINC001604843213 1018461456 /nfs/dbraw/zinc/46/14/56/1018461456.db2.gz YHDWJMXETIGGNG-WPRPVWTQSA-N -1 0 324.362 -0.029 20 0 DBADRM CN1CC(=O)N(CCOc2ccc(F)nc2-c2nnn[n-]2)C1=O ZINC001604842338 1018461640 /nfs/dbraw/zinc/46/16/40/1018461640.db2.gz WDFCXCALIHJOGD-UHFFFAOYSA-N -1 0 321.272 -0.326 20 0 DBADRM C[C@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)c1ccnnc1 ZINC001604843211 1018462004 /nfs/dbraw/zinc/46/20/04/1018462004.db2.gz YHDWJMXETIGGNG-SCZZXKLOSA-N -1 0 324.362 -0.029 20 0 DBADRM C[C@H]1SCC[C@H]1NC(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001604842233 1018462273 /nfs/dbraw/zinc/46/22/73/1018462273.db2.gz PWBNHGQUPQGSLH-ZYUZMQFOSA-N -1 0 316.379 -0.398 20 0 DBADRM CCC(=O)C1(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CC1 ZINC001604851602 1018464731 /nfs/dbraw/zinc/46/47/31/1018464731.db2.gz JDDIZKHUIUNWGB-TVQRCGJNSA-N -1 0 317.363 -0.250 20 0 DBADRM C/C=C\C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)OCC ZINC001604853417 1018465157 /nfs/dbraw/zinc/46/51/57/1018465157.db2.gz YFQWGOBUYHVBGQ-AZVKUDOFSA-N -1 0 310.310 -0.010 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)O[C@H](CC(=O)OC)C(=O)[O-])C1 ZINC001604853257 1018466036 /nfs/dbraw/zinc/46/60/36/1018466036.db2.gz OOHPXKJRKODLAW-RKDXNWHRSA-N -1 0 301.295 -0.196 20 0 DBADRM CCC(=O)NCC(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001604859343 1018468726 /nfs/dbraw/zinc/46/87/26/1018468726.db2.gz JQSAOMRQVRMAIA-MRVPVSSYSA-N -1 0 309.326 -0.961 20 0 DBADRM CCC(C)(C)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001604896554 1018479957 /nfs/dbraw/zinc/47/99/57/1018479957.db2.gz ZASWSHFHRBSXIE-ZJUUUORDSA-N -1 0 300.355 -0.167 20 0 DBADRM CC/C(C)=C/C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001604917587 1018483080 /nfs/dbraw/zinc/48/30/80/1018483080.db2.gz CSACLMKOAADMFP-MJMLHWTPSA-N -1 0 310.350 -0.247 20 0 DBADRM CS(=O)(=O)C1(C(=O)NCC2(C(=O)[O-])CCOCC2)CCC1 ZINC001604914201 1018483095 /nfs/dbraw/zinc/48/30/95/1018483095.db2.gz OQBFYRKPYCRTIH-UHFFFAOYSA-N -1 0 319.379 -0.049 20 0 DBADRM COC(=O)[C@H](OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)C ZINC001604909537 1018483180 /nfs/dbraw/zinc/48/31/80/1018483180.db2.gz NCMIZKXTMZAFPF-JGVFFNPUSA-N -1 0 323.313 -0.240 20 0 DBADRM COc1ncc(/C=C/C(=O)OCc2cn(CC(=O)[O-])nn2)cn1 ZINC001604907208 1018483550 /nfs/dbraw/zinc/48/35/50/1018483550.db2.gz UZWMQJCLAHAFAB-NSCUHMNNSA-N -1 0 319.277 -0.082 20 0 DBADRM COc1ncncc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001604912130 1018483680 /nfs/dbraw/zinc/48/36/80/1018483680.db2.gz QNRHFUNCWHBKIR-SECBINFHSA-N -1 0 301.324 -0.831 20 0 DBADRM CC[C@](C)(NS(=O)(=O)c1n[nH]cc1C(=O)OC)C(=O)[O-] ZINC001604915100 1018485192 /nfs/dbraw/zinc/48/51/92/1018485192.db2.gz SHWFTZTVDCCHFI-JTQLQIEISA-N -1 0 305.312 -0.272 20 0 DBADRM CS(=O)(=O)CC1(CCNC(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001604920328 1018487050 /nfs/dbraw/zinc/48/70/50/1018487050.db2.gz QKFIQLRPMYNIKV-ZDUSSCGKSA-N -1 0 319.379 -0.049 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC001604920942 1018487773 /nfs/dbraw/zinc/48/77/73/1018487773.db2.gz HHCJMOUOZCNYGO-ZDUSSCGKSA-N -1 0 316.379 -0.195 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@]2(CNC(=O)C2)C1)C(=O)[O-] ZINC001604929692 1018489204 /nfs/dbraw/zinc/48/92/04/1018489204.db2.gz YBGHELSIEGISMU-ZBINZKHDSA-N -1 0 311.382 -0.186 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1C=CC=CC=C1 ZINC001500846026 1018489386 /nfs/dbraw/zinc/48/93/86/1018489386.db2.gz UQPXRCMKPYHPEQ-UHFFFAOYSA-N -1 0 317.349 -0.528 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1 ZINC001604927470 1018489729 /nfs/dbraw/zinc/48/97/29/1018489729.db2.gz KIVMZEWINNTGJU-SSDOTTSWSA-N -1 0 316.339 -0.881 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCC(CO)(CO)C1)C(=O)[O-] ZINC001604929162 1018490234 /nfs/dbraw/zinc/49/02/34/1018490234.db2.gz SFDIIHCEHMSPIN-JQWIXIFHSA-N -1 0 302.371 -0.721 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001604927819 1018490476 /nfs/dbraw/zinc/49/04/76/1018490476.db2.gz VQPKBYNKVPNSSM-SKDRFNHKSA-N -1 0 320.367 -0.840 20 0 DBADRM CS(=O)(=O)NCCNC(=S)NCC1(C(=O)[O-])CCC1 ZINC001604931673 1018492692 /nfs/dbraw/zinc/49/26/92/1018492692.db2.gz BMNAVLJDJJYPSX-UHFFFAOYSA-N -1 0 309.413 -0.745 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN2CCOC[C@H]2C1)C(=O)[O-] ZINC001604932152 1018493794 /nfs/dbraw/zinc/49/37/94/1018493794.db2.gz MMZIVETYTWEHTF-OUCADQQQSA-N -1 0 313.398 -0.382 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001604944032 1018495015 /nfs/dbraw/zinc/49/50/15/1018495015.db2.gz RLCHLKMSPLKQBB-YEJXKQKISA-N -1 0 318.395 -0.857 20 0 DBADRM C[C@@H](C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC001500862850 1018496010 /nfs/dbraw/zinc/49/60/10/1018496010.db2.gz LJCDWXQIRZNSHV-SECBINFHSA-N -1 0 309.370 -0.391 20 0 DBADRM COC(=O)N1CCC(CNc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001604950057 1018496655 /nfs/dbraw/zinc/49/66/55/1018496655.db2.gz XLRGCIOEFAPARO-UHFFFAOYSA-N -1 0 318.341 -0.031 20 0 DBADRM CSCCCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001604958778 1018496771 /nfs/dbraw/zinc/49/67/71/1018496771.db2.gz LRHWBHXGNXDEBC-SECBINFHSA-N -1 0 304.368 -0.442 20 0 DBADRM CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001604946243 1018497173 /nfs/dbraw/zinc/49/71/73/1018497173.db2.gz OFCONFOLEINECR-CBAPKCEASA-N -1 0 312.326 -0.420 20 0 DBADRM COC(=O)[C@H]1CCCN1C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604962088 1018498828 /nfs/dbraw/zinc/49/88/28/1018498828.db2.gz UTAMGBFCQSLHGC-JGVFFNPUSA-N -1 0 320.313 -0.817 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)COCC(=O)[O-])CC1 ZINC001604968459 1018498879 /nfs/dbraw/zinc/49/88/79/1018498879.db2.gz NCYUNRPXRWHGGJ-NSHDSACASA-N -1 0 315.370 -0.854 20 0 DBADRM COC(=O)[C@H]1CCCN1C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604962085 1018499021 /nfs/dbraw/zinc/49/90/21/1018499021.db2.gz UTAMGBFCQSLHGC-HTQZYQBOSA-N -1 0 320.313 -0.817 20 0 DBADRM C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1cnccn1 ZINC001604994280 1018501191 /nfs/dbraw/zinc/50/11/91/1018501191.db2.gz HPJILMGNEAGNGA-SCZZXKLOSA-N -1 0 300.340 -0.079 20 0 DBADRM CO[C@H](C)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001604999266 1018501857 /nfs/dbraw/zinc/50/18/57/1018501857.db2.gz CYQCRDAEXSYYTP-SCZZXKLOSA-N -1 0 321.341 -0.814 20 0 DBADRM CO[C@@H](C)C(=O)NCCN(C)c1nc(C)cc(-c2nn[nH]n2)n1 ZINC001604999181 1018502009 /nfs/dbraw/zinc/50/20/09/1018502009.db2.gz AEFKMMNYOUTQCO-VIFPVBQESA-N -1 0 320.357 -0.448 20 0 DBADRM COC(=O)c1ccc(NCc2n[nH]c(=O)[n-]2)c(-c2nn[nH]n2)n1 ZINC001604978401 1018502784 /nfs/dbraw/zinc/50/27/84/1018502784.db2.gz MXKUVYWTKYXCCL-UHFFFAOYSA-N -1 0 317.269 -0.516 20 0 DBADRM C[C@@H](O)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001604994330 1018504058 /nfs/dbraw/zinc/50/40/58/1018504058.db2.gz PLDPEYCSZHINSP-DSYKOEDSSA-N -1 0 312.244 -0.510 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1cnccn1 ZINC001604989128 1018504076 /nfs/dbraw/zinc/50/40/76/1018504076.db2.gz LRGBBBALSPJEBJ-ZJUUUORDSA-N -1 0 306.322 -0.023 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001605004266 1018506823 /nfs/dbraw/zinc/50/68/23/1018506823.db2.gz KPQOGKURNSRKIQ-LNLATYFQSA-N -1 0 304.368 -0.078 20 0 DBADRM CO[C@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C1CC1 ZINC001605008565 1018507403 /nfs/dbraw/zinc/50/74/03/1018507403.db2.gz JQTBQNXDBBPTHV-SSDOTTSWSA-N -1 0 307.314 -0.497 20 0 DBADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)Cn1ccc(=O)n(C)c1=O ZINC001604999591 1018508100 /nfs/dbraw/zinc/50/81/00/1018508100.db2.gz PLJPWOYCMQJTPG-NXEZZACHSA-N -1 0 309.322 -0.599 20 0 DBADRM CO[C@@H]1CCCC[C@@H]1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001605029088 1018508769 /nfs/dbraw/zinc/50/87/69/1018508769.db2.gz BCLNXFCTRVMIQM-VHSXEESVSA-N -1 0 320.357 -0.220 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001605019107 1018508800 /nfs/dbraw/zinc/50/88/00/1018508800.db2.gz YPCDMBNIVJUHAD-NRUUGDAUSA-N -1 0 318.395 -0.115 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1 ZINC001605023566 1018508952 /nfs/dbraw/zinc/50/89/52/1018508952.db2.gz SPMFSKKZUBGDJI-SREGZZRCSA-N -1 0 304.368 -0.329 20 0 DBADRM C[C@@H]1C[C@H](CO)CCN1C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001605025858 1018510164 /nfs/dbraw/zinc/51/01/64/1018510164.db2.gz JKPHLORJGAPGHI-NXEZZACHSA-N -1 0 324.337 -0.474 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001605018619 1018510213 /nfs/dbraw/zinc/51/02/13/1018510213.db2.gz OWKAWZMWJNNIMN-FCHSOHFDSA-N -1 0 310.350 -0.413 20 0 DBADRM CO[C@]1(COC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CCOC1 ZINC001605020930 1018510601 /nfs/dbraw/zinc/51/06/01/1018510601.db2.gz PUNJTXFGXOOXIK-PRHODGIISA-N -1 0 323.313 -0.632 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001605018622 1018510819 /nfs/dbraw/zinc/51/08/19/1018510819.db2.gz OWKAWZMWJNNIMN-FTGAXOIBSA-N -1 0 310.350 -0.413 20 0 DBADRM CC[C@@H](CNC(=O)C(C)(C)C(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001605024006 1018510999 /nfs/dbraw/zinc/51/09/99/1018510999.db2.gz RKRJGYQZMNDMBA-QMMMGPOBSA-N -1 0 323.353 -0.585 20 0 DBADRM CO[C@@H]1CC[C@@H](C)N(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001605026777 1018511085 /nfs/dbraw/zinc/51/10/85/1018511085.db2.gz PDEOYRFNYZDFDX-HTQZYQBOSA-N -1 0 321.341 -0.743 20 0 DBADRM COCC(=O)NC[C@H]1CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001605039143 1018511922 /nfs/dbraw/zinc/51/19/22/1018511922.db2.gz XOUHWVLPTWVAGJ-SECBINFHSA-N -1 0 318.341 -0.612 20 0 DBADRM COCC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001605039144 1018511995 /nfs/dbraw/zinc/51/19/95/1018511995.db2.gz XOUHWVLPTWVAGJ-VIFPVBQESA-N -1 0 318.341 -0.612 20 0 DBADRM CC[C@H](CNC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001605037197 1018512512 /nfs/dbraw/zinc/51/25/12/1018512512.db2.gz FAUCANXDUQYWCE-SSDOTTSWSA-N -1 0 301.324 -0.430 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001605041645 1018517274 /nfs/dbraw/zinc/51/72/74/1018517274.db2.gz PRCDDRSWPLQLQW-RKWZHAFESA-N -1 0 304.368 -0.315 20 0 DBADRM CC[C@H](CNS(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)[O-] ZINC001605040721 1018517456 /nfs/dbraw/zinc/51/74/56/1018517456.db2.gz XVFCZKAGJCCHEW-GJEGPGMTSA-N -1 0 301.390 -0.494 20 0 DBADRM COCC(=O)NCCN(c1ccnc(-c2nnn[n-]2)n1)C1CC1 ZINC001605039498 1018517842 /nfs/dbraw/zinc/51/78/42/1018517842.db2.gz IFNLRHHLJSWLGI-UHFFFAOYSA-N -1 0 318.341 -0.612 20 0 DBADRM CC[C@@](COC)(NC(=O)Cn1c(C)cc(O)cc1=O)C(=O)[O-] ZINC001605050843 1018518222 /nfs/dbraw/zinc/51/82/22/1018518222.db2.gz ZRSQSCFVYLMEQT-AWEZNQCLSA-N -1 0 312.322 -0.142 20 0 DBADRM C[C@H]1COCCN1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605063250 1018520202 /nfs/dbraw/zinc/52/02/02/1018520202.db2.gz PIMUXRJVUXVBHR-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM COCC1=CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001605067393 1018521226 /nfs/dbraw/zinc/52/12/26/1018521226.db2.gz BEWJWPSLTGXZJZ-UHFFFAOYSA-N -1 0 304.314 -0.737 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001605066880 1018521654 /nfs/dbraw/zinc/52/16/54/1018521654.db2.gz KKCCMUQHOYXSHH-LDYMZIIASA-N -1 0 301.324 -0.560 20 0 DBADRM COC[C@H]1CCCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001605071530 1018522322 /nfs/dbraw/zinc/52/23/22/1018522322.db2.gz GHRKYRUVSWWLPO-SECBINFHSA-N -1 0 321.345 -0.721 20 0 DBADRM COCCCC(=O)NCCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001605085961 1018523813 /nfs/dbraw/zinc/52/38/13/1018523813.db2.gz MKMQUIJKZTVZSM-UHFFFAOYSA-N -1 0 320.357 -0.577 20 0 DBADRM COCCC(=O)NC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001605074729 1018525563 /nfs/dbraw/zinc/52/55/63/1018525563.db2.gz NZPXTXLHMFFPOK-MRVPVSSYSA-N -1 0 306.330 -0.968 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001605090372 1018526857 /nfs/dbraw/zinc/52/68/57/1018526857.db2.gz YFMSILCNUUJQBC-SCZZXKLOSA-N -1 0 323.353 -0.572 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(=O)NC ZINC001605104930 1018527089 /nfs/dbraw/zinc/52/70/89/1018527089.db2.gz LZDJQHWQPLFJAB-RXMQYKEDSA-N -1 0 307.353 -0.356 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C(=O)OC ZINC001605098220 1018528954 /nfs/dbraw/zinc/52/89/54/1018528954.db2.gz CECLBRLFOLVFRS-ZCFIWIBFSA-N -1 0 305.312 -0.354 20 0 DBADRM COCCOC[C@@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001605110379 1018530987 /nfs/dbraw/zinc/53/09/87/1018530987.db2.gz YQPJTOJQMVMFGM-BDAKNGLRSA-N -1 0 324.345 -0.813 20 0 DBADRM COCCc1nsc(NCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001605123076 1018532009 /nfs/dbraw/zinc/53/20/09/1018532009.db2.gz INJZBYIOXNZQDV-UHFFFAOYSA-N -1 0 322.358 -0.389 20 0 DBADRM COCCc1nc(Cn2cnc(-c3nnn[n-]3)cc2=O)no1 ZINC001605123524 1018533928 /nfs/dbraw/zinc/53/39/28/1018533928.db2.gz XUEUNZKSTCOZOF-UHFFFAOYSA-N -1 0 304.270 -0.956 20 0 DBADRM Cc1cc(C(=O)[O-])cc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c1 ZINC001605131311 1018534449 /nfs/dbraw/zinc/53/44/49/1018534449.db2.gz HZQIKDAVGNNZKN-GHMZBOCLSA-N -1 0 319.317 -0.648 20 0 DBADRM CCC1(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001605133148 1018536231 /nfs/dbraw/zinc/53/62/31/1018536231.db2.gz IXGGMQFFTWIFBB-MNOVXSKESA-N -1 0 312.366 -0.166 20 0 DBADRM COc1c(-c2nnn[n-]2)ccc(=O)n1Cc1ncnn1CCF ZINC001605154401 1018538195 /nfs/dbraw/zinc/53/81/95/1018538195.db2.gz ZPFKWHHNSYCOPT-UHFFFAOYSA-N -1 0 320.288 -0.354 20 0 DBADRM CC[C@@]1(COC)NC(=O)N(C[C@@H]2CCO[C@@H]2C(=O)[O-])C1=O ZINC001605144803 1018538909 /nfs/dbraw/zinc/53/89/09/1018538909.db2.gz FSUDKTVJXJZNEE-RVBZMBCESA-N -1 0 300.311 -0.177 20 0 DBADRM CO[C@H]1C[C@@H](CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001605154064 1018539150 /nfs/dbraw/zinc/53/91/50/1018539150.db2.gz QFLRUURLSIPAKD-XHNCKOQMSA-N -1 0 306.330 -0.440 20 0 DBADRM CC[C@@]1(O)CCCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001605149029 1018539374 /nfs/dbraw/zinc/53/93/74/1018539374.db2.gz YCIYEJSDAJQOHM-PKFCDNJMSA-N -1 0 315.370 -0.089 20 0 DBADRM CC[C@H]1C(=O)N(CC)CCN1S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001605151767 1018540597 /nfs/dbraw/zinc/54/05/97/1018540597.db2.gz WLFVLAGDYNSFGZ-ZJUUUORDSA-N -1 0 306.384 -0.020 20 0 DBADRM CO[C@H]1C[C@H](CNS(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001605153815 1018540798 /nfs/dbraw/zinc/54/07/98/1018540798.db2.gz OQUIQZJOPLAEEG-KYZUINATSA-N -1 0 324.366 -0.035 20 0 DBADRM COc1c(-c2nnn[n-]2)ccc(=O)n1C[C@H]1CCNC(=O)CC1 ZINC001605154391 1018540982 /nfs/dbraw/zinc/54/09/82/1018540982.db2.gz ZLPBRTRRHMYIAV-SECBINFHSA-N -1 0 318.337 -0.047 20 0 DBADRM Cc1cc(CNC(=O)NCCOCCOCC(=O)[O-])n(C)n1 ZINC001605172593 1018541771 /nfs/dbraw/zinc/54/17/71/1018541771.db2.gz KUPSJRUFBSEMIY-UHFFFAOYSA-N -1 0 314.342 -0.354 20 0 DBADRM CC[C@@H](C(=O)N1CC[C@@](O)(C(=O)[O-])C1)N1CCO[C@H](CC)C1 ZINC001605171818 1018541998 /nfs/dbraw/zinc/54/19/98/1018541998.db2.gz BGQMJXSAOUHEDI-XUJVJEKNSA-N -1 0 314.382 -0.076 20 0 DBADRM CC[C@H]1CCN(C(=O)C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001605166857 1018542080 /nfs/dbraw/zinc/54/20/80/1018542080.db2.gz RWORQTFIRUEPIV-JTQLQIEISA-N -1 0 313.354 -0.658 20 0 DBADRM CC/C=C/[C@@H](OC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-] ZINC001605187517 1018542218 /nfs/dbraw/zinc/54/22/18/1018542218.db2.gz WTMVWSYJBKNPKL-BRAIEQGRSA-N -1 0 310.310 -0.058 20 0 DBADRM CCCC(=O)N1CCC[C@H](C(=O)N[C@@](C)(CO)C(=O)[O-])C1 ZINC001605188767 1018543533 /nfs/dbraw/zinc/54/35/33/1018543533.db2.gz WGOHPYSSHAVHPB-HZMBPMFUSA-N -1 0 300.355 -0.023 20 0 DBADRM CCC[C@@H](C(=O)N[C@](CC)(COC)C(=O)[O-])S(N)(=O)=O ZINC001605192018 1018545021 /nfs/dbraw/zinc/54/50/21/1018545021.db2.gz HOLIYQGZBZBXED-GZMMTYOYSA-N -1 0 310.372 -0.560 20 0 DBADRM Cc1cc(NC(=O)NCCOCCOCC(=O)[O-])n(C)n1 ZINC001605201903 1018545093 /nfs/dbraw/zinc/54/50/93/1018545093.db2.gz FNBSEJRSWLRZBB-UHFFFAOYSA-N -1 0 300.315 -0.032 20 0 DBADRM CCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001605190383 1018546549 /nfs/dbraw/zinc/54/65/49/1018546549.db2.gz KBIOQGZUPVSWEN-MNOVXSKESA-N -1 0 312.366 -0.023 20 0 DBADRM CCC[C@@H]1CN(C(=O)CC(=O)OC)CCN1C(=O)CC(=O)[O-] ZINC001605227385 1018548809 /nfs/dbraw/zinc/54/88/09/1018548809.db2.gz XQUNNDRSTKKPGI-SNVBAGLBSA-N -1 0 314.338 -0.136 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001605245827 1018548847 /nfs/dbraw/zinc/54/88/47/1018548847.db2.gz KWMDVMSFXZPYJQ-NOZJJQNGSA-N -1 0 301.343 -0.084 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001605245551 1018548944 /nfs/dbraw/zinc/54/89/44/1018548944.db2.gz DAHBHVZVIXJABO-GHMZBOCLSA-N -1 0 315.370 -0.102 20 0 DBADRM Cc1ccc(-n2nccc2NC(=O)C(=O)NCCC(=O)[O-])nn1 ZINC001605242847 1018549364 /nfs/dbraw/zinc/54/93/64/1018549364.db2.gz HQNRMYSSFSVSKN-UHFFFAOYSA-N -1 0 318.293 -0.500 20 0 DBADRM CCC[C@H]1CN(C(=O)CC(=O)[O-])CCN1C(=O)CC(=O)OC ZINC001605227349 1018549693 /nfs/dbraw/zinc/54/96/93/1018549693.db2.gz WPPKUWNPZSZGGK-JTQLQIEISA-N -1 0 314.338 -0.136 20 0 DBADRM Cc1ccc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)nn1 ZINC001605250592 1018550716 /nfs/dbraw/zinc/55/07/16/1018550716.db2.gz ZCLZHTWBGBRISL-NSHDSACASA-N -1 0 306.322 -0.019 20 0 DBADRM CCC[C@H]1CN(C(=O)CC(=O)OC)CCN1C(=O)CC(=O)[O-] ZINC001605227384 1018550790 /nfs/dbraw/zinc/55/07/90/1018550790.db2.gz XQUNNDRSTKKPGI-JTQLQIEISA-N -1 0 314.338 -0.136 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001605287185 1018553880 /nfs/dbraw/zinc/55/38/80/1018553880.db2.gz CPLDEUFQDISRPM-VIFPVBQESA-N -1 0 318.355 -0.938 20 0 DBADRM Cc1ccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])cc1-n1cnnn1 ZINC001605289159 1018555157 /nfs/dbraw/zinc/55/51/57/1018555157.db2.gz QPRYJMDRRKTQKR-CYBMUJFWSA-N -1 0 320.309 -0.072 20 0 DBADRM CCCCNC(=O)NC(=O)COC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001605280633 1018555753 /nfs/dbraw/zinc/55/57/53/1018555753.db2.gz FRCSSDUHAHGRPY-BDAKNGLRSA-N -1 0 316.310 -0.212 20 0 DBADRM CCCCN(C)S(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001605276360 1018555774 /nfs/dbraw/zinc/55/57/74/1018555774.db2.gz UPAHAEJTYUJPOI-VIFPVBQESA-N -1 0 310.372 -0.231 20 0 DBADRM CCCN(C(=O)c1nc2ncc(CCO)cn2n1)[C@@H](C)C(=O)[O-] ZINC001605302228 1018555874 /nfs/dbraw/zinc/55/58/74/1018555874.db2.gz KWVQJZANROFDSQ-VIFPVBQESA-N -1 0 321.337 -0.016 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001605289943 1018556236 /nfs/dbraw/zinc/55/62/36/1018556236.db2.gz RFQBMSPBTJGXPF-ZJUUUORDSA-N -1 0 322.383 -0.594 20 0 DBADRM CCCNC(=O)[C@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001605326214 1018556515 /nfs/dbraw/zinc/55/65/15/1018556515.db2.gz OMEWYJSCTYDMDN-UWVGGRQHSA-N -1 0 313.354 -0.660 20 0 DBADRM Cc1ccc2nnc(CNC(=O)[C@H]3CC(C(=O)[O-])=NO3)n2c1 ZINC001605315178 1018557491 /nfs/dbraw/zinc/55/74/91/1018557491.db2.gz XTEQXCFRZLMBGB-SECBINFHSA-N -1 0 303.278 -0.117 20 0 DBADRM CCCNC(=O)CCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001605326405 1018557595 /nfs/dbraw/zinc/55/75/95/1018557595.db2.gz COFHZKSGJVSRRL-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM CCCNC(=O)CN1CCC(Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001605331350 1018558129 /nfs/dbraw/zinc/55/81/29/1018558129.db2.gz PNAXVRDUWGLPPN-UHFFFAOYSA-N -1 0 321.381 -0.001 20 0 DBADRM CCCN(CCNC(=O)CC(N)=O)c1ncc(C(=O)[O-])cn1 ZINC001605316317 1018558265 /nfs/dbraw/zinc/55/82/65/1018558265.db2.gz IPBZGOYKPHLHIE-UHFFFAOYSA-N -1 0 309.326 -0.617 20 0 DBADRM CCCNC(=O)CCC(=O)N[C@H](CCC(=O)OC)C(=O)[O-] ZINC001605327372 1018558927 /nfs/dbraw/zinc/55/89/27/1018558927.db2.gz SATGIHCXYCLJTA-SECBINFHSA-N -1 0 302.327 -0.185 20 0 DBADRM CCC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(=O)OC ZINC001605354495 1018561208 /nfs/dbraw/zinc/56/12/08/1018561208.db2.gz FRNJLCBGBHACGK-ZCFIWIBFSA-N -1 0 305.312 -0.272 20 0 DBADRM CCCc1csc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])n1 ZINC001605378338 1018567980 /nfs/dbraw/zinc/56/79/80/1018567980.db2.gz ZCGKZIZMHXBHEH-QMMMGPOBSA-N -1 0 315.351 -0.014 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)CCCF ZINC001605400975 1018570217 /nfs/dbraw/zinc/57/02/17/1018570217.db2.gz RLWAGOAFNFUZDF-QMMMGPOBSA-N -1 0 308.321 -0.255 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001605394173 1018570460 /nfs/dbraw/zinc/57/04/60/1018570460.db2.gz HUUALGYIRRFTMT-WCBMZHEXSA-N -1 0 308.338 -0.096 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001605394169 1018571547 /nfs/dbraw/zinc/57/15/47/1018571547.db2.gz HUUALGYIRRFTMT-PSASIEDQSA-N -1 0 308.338 -0.096 20 0 DBADRM Cc1nc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001605398644 1018572568 /nfs/dbraw/zinc/57/25/68/1018572568.db2.gz ZNBSJVQCEPKEEL-SFYZADRCSA-N -1 0 305.298 -0.323 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)Nn2ccnn2)cc1-c1nnn[n-]1 ZINC001605381001 1018573047 /nfs/dbraw/zinc/57/30/47/1018573047.db2.gz MYMKCIPITAMSPX-UHFFFAOYSA-N -1 0 319.310 -0.335 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)nn1C ZINC001605408996 1018574180 /nfs/dbraw/zinc/57/41/80/1018574180.db2.gz YQFHLKVLSOPZML-SECBINFHSA-N -1 0 309.326 -0.225 20 0 DBADRM CCN([C@@H]1CCNC1=O)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001605411624 1018574666 /nfs/dbraw/zinc/57/46/66/1018574666.db2.gz SXQHXGVOBUQWMB-SECBINFHSA-N -1 0 315.351 -0.378 20 0 DBADRM Cc1nc(CN(C)S(=O)(=O)N2CCC(C(=O)[O-])CC2)no1 ZINC001605403771 1018574702 /nfs/dbraw/zinc/57/47/02/1018574702.db2.gz QMGUYDPKSDUEAV-UHFFFAOYSA-N -1 0 318.355 -0.149 20 0 DBADRM CCN(CC(=O)[O-])C(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001605412369 1018574761 /nfs/dbraw/zinc/57/47/61/1018574761.db2.gz IFUNZGGHOCNLJY-UHFFFAOYSA-N -1 0 302.327 -0.099 20 0 DBADRM CCN(CC(=O)N(C)C)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001605411427 1018575316 /nfs/dbraw/zinc/57/53/16/1018575316.db2.gz KADYSJJLWLLNTR-UHFFFAOYSA-N -1 0 315.351 -0.121 20 0 DBADRM CCN(CC(=O)[O-])CN1C(=O)N[C@@](CC)(c2cnn(C)c2)C1=O ZINC001605415849 1018575624 /nfs/dbraw/zinc/57/56/24/1018575624.db2.gz XWASIPAKYXGSPG-AWEZNQCLSA-N -1 0 323.353 -0.059 20 0 DBADRM Cc1nccnc1N1CCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001605424424 1018577559 /nfs/dbraw/zinc/57/75/59/1018577559.db2.gz RXTPGOPIZBMERS-LBPRGKRZSA-N -1 0 319.365 -0.407 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001605423169 1018578942 /nfs/dbraw/zinc/57/89/42/1018578942.db2.gz PQDHMTHBEGOBNO-GFCCVEGCSA-N -1 0 315.370 -0.278 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001605426532 1018579924 /nfs/dbraw/zinc/57/99/24/1018579924.db2.gz QIENGQIEBXLSNC-RKDXNWHRSA-N -1 0 302.342 -0.347 20 0 DBADRM Cc1ncc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC001605420891 1018580132 /nfs/dbraw/zinc/58/01/32/1018580132.db2.gz WSDCASMBNLTXPH-VIFPVBQESA-N -1 0 313.335 -0.620 20 0 DBADRM Cc1nccn1CCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001605424188 1018580261 /nfs/dbraw/zinc/58/02/61/1018580261.db2.gz NRMYXALIWHEWNY-LLVKDONJSA-N -1 0 308.338 -0.369 20 0 DBADRM CCN(CC)C(=O)CCCC(=O)NCC(=O)NCC(=O)[O-] ZINC001605422229 1018580281 /nfs/dbraw/zinc/58/02/81/1018580281.db2.gz LIKJUMYJRDAIOA-UHFFFAOYSA-N -1 0 301.343 -0.658 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCCCC(=O)[O-])CC2 ZINC001605420651 1018580321 /nfs/dbraw/zinc/58/03/21/1018580321.db2.gz LEQOXUBOXBWRTE-JTQLQIEISA-N -1 0 323.353 -0.611 20 0 DBADRM Cc1nn(C)c2c1cnn([C@H]1CCN(CC(=O)[O-])C1=O)c2=O ZINC001605437622 1018581584 /nfs/dbraw/zinc/58/15/84/1018581584.db2.gz HELPSBJZNNMFPW-VIFPVBQESA-N -1 0 305.294 -0.704 20 0 DBADRM Cc1nn(C)cc1CC(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC001605438167 1018581791 /nfs/dbraw/zinc/58/17/91/1018581791.db2.gz LHEROKZVZABDDZ-UHFFFAOYSA-N -1 0 307.310 -0.267 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)CCCF ZINC001605436144 1018582568 /nfs/dbraw/zinc/58/25/68/1018582568.db2.gz RLWAGOAFNFUZDF-MRVPVSSYSA-N -1 0 308.321 -0.255 20 0 DBADRM CCN(CCC(=O)NC)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001605438706 1018582743 /nfs/dbraw/zinc/58/27/43/1018582743.db2.gz JIZFWBWUDFEELX-UHFFFAOYSA-N -1 0 305.312 -0.481 20 0 DBADRM CCN(CCC(=O)NCC(=O)[O-])[C@@H](C)CS(=O)(=O)CC ZINC001605438779 1018583003 /nfs/dbraw/zinc/58/30/03/1018583003.db2.gz OFJHQYRELMVSBX-JTQLQIEISA-N -1 0 308.400 -0.278 20 0 DBADRM Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001605433307 1018584416 /nfs/dbraw/zinc/58/44/16/1018584416.db2.gz DTTOPSRRBZGGSV-NSHDSACASA-N -1 0 322.365 -0.024 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC001605441525 1018585128 /nfs/dbraw/zinc/58/51/28/1018585128.db2.gz GZSCWQBCVMCDSR-SECBINFHSA-N -1 0 307.372 -0.775 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1C[C@H]3COC[C@@]3(C(=O)[O-])C1)CC2 ZINC001605444632 1018585724 /nfs/dbraw/zinc/58/57/24/1018585724.db2.gz MXWGLGRMCJEHSK-ZETOZRRWSA-N -1 0 320.349 -0.291 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O)CC2 ZINC001605444835 1018586406 /nfs/dbraw/zinc/58/64/06/1018586406.db2.gz YAQSYJDTKGEBTI-ZJUUUORDSA-N -1 0 322.321 -0.622 20 0 DBADRM CCN(CCNC(=O)c1ncn(C)n1)c1ccnc(C(=O)[O-])n1 ZINC001605448088 1018586730 /nfs/dbraw/zinc/58/67/30/1018586730.db2.gz RPZIAYCJDQQSPW-UHFFFAOYSA-N -1 0 319.325 -0.440 20 0 DBADRM Cc1noc([C@@H]2OCC[C@@H]2NC(=O)[C@@]2(C(=O)[O-])CCCO2)n1 ZINC001605449500 1018589226 /nfs/dbraw/zinc/58/92/26/1018589226.db2.gz BRDFWTILENBTRG-IGJMFERPSA-N -1 0 311.294 -0.042 20 0 DBADRM Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001605451097 1018589285 /nfs/dbraw/zinc/58/92/85/1018589285.db2.gz ODVMOHPTPACDMH-UHFFFAOYSA-N -1 0 304.270 -0.548 20 0 DBADRM CCN(CCc1cn(CC(=O)[O-])nn1)[C@@H](C)CS(C)(=O)=O ZINC001605453083 1018589533 /nfs/dbraw/zinc/58/95/33/1018589533.db2.gz BTTHNGLQUKAERX-JTQLQIEISA-N -1 0 318.399 -0.340 20 0 DBADRM CCN(CCOCCO)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001605449444 1018590909 /nfs/dbraw/zinc/59/09/09/1018590909.db2.gz FLSDVHZIBJPWBN-UHFFFAOYSA-N -1 0 307.328 -0.873 20 0 DBADRM Cc1noc([C@@H]2OCC[C@@H]2NCCS(=O)(=O)CC(=O)[O-])n1 ZINC001605449611 1018591306 /nfs/dbraw/zinc/59/13/06/1018591306.db2.gz JCBRMUQMFYCVBX-WCBMZHEXSA-N -1 0 319.339 -0.703 20 0 DBADRM CCN(OC)C(=O)CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001605463292 1018591891 /nfs/dbraw/zinc/59/18/91/1018591891.db2.gz QPYIWJDXOSIRJW-VHSXEESVSA-N -1 0 302.327 -0.075 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC[S@](C)=O)c(=O)n1C1CC1 ZINC001605465861 1018592887 /nfs/dbraw/zinc/59/28/87/1018592887.db2.gz WSNDYNSBCRXVBN-QFIPXVFZSA-N -1 0 324.366 -0.788 20 0 DBADRM CCN1C[C@@H](NC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1=O ZINC001605469512 1018593996 /nfs/dbraw/zinc/59/39/96/1018593996.db2.gz IUMIJQPAGXGRDZ-VIFPVBQESA-N -1 0 307.306 -0.717 20 0 DBADRM CCN1C[C@@H](CNC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1=O ZINC001605471064 1018594582 /nfs/dbraw/zinc/59/45/82/1018594582.db2.gz YOIJVXBSQKHYFU-SNVBAGLBSA-N -1 0 321.333 -0.469 20 0 DBADRM CCN1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cn2C)CC1=O ZINC001605469839 1018594767 /nfs/dbraw/zinc/59/47/67/1018594767.db2.gz NJJRCOJIQGGPIM-SECBINFHSA-N -1 0 315.351 -0.378 20 0 DBADRM Cn1c2[nH]c(CN(CC(=O)[O-])CC3CC3)nc2c(=O)n(C)c1=O ZINC001605467761 1018594841 /nfs/dbraw/zinc/59/48/41/1018594841.db2.gz VMQGPHSSMQMYMQ-UHFFFAOYSA-N -1 0 321.337 -0.743 20 0 DBADRM Cn1cc(C(=O)CNC(=O)C2(CC(=O)[O-])CCOCC2)cn1 ZINC001605481364 1018595769 /nfs/dbraw/zinc/59/57/69/1018595769.db2.gz VNWYRPKJFRBYEE-UHFFFAOYSA-N -1 0 309.322 -0.010 20 0 DBADRM CCN1CC[C@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC001605476306 1018598012 /nfs/dbraw/zinc/59/80/12/1018598012.db2.gz YUFPUPGMMIRMNY-JRPNMDOOSA-N -1 0 311.382 -0.234 20 0 DBADRM Cn1cc([C@H]2CN(C(=O)c3cc(C(=O)[O-])nn3C)CCN2)cn1 ZINC001605488129 1018600742 /nfs/dbraw/zinc/60/07/42/1018600742.db2.gz DKKDOWRGKSPZRZ-LLVKDONJSA-N -1 0 318.337 -0.362 20 0 DBADRM CCN1CCN(S(=O)(=O)c2cccnc2C(=O)[O-])CC1=O ZINC001605482429 1018601220 /nfs/dbraw/zinc/60/12/20/1018601220.db2.gz VBWIZGHLPHUZNV-UHFFFAOYSA-N -1 0 313.335 -0.367 20 0 DBADRM CCN1CCO[C@@H](C(=O)N[C@H](Cc2cncs2)C(=O)[O-])C1 ZINC001605483105 1018601391 /nfs/dbraw/zinc/60/13/91/1018601391.db2.gz ZZXCTHAFGXUCFB-GHMZBOCLSA-N -1 0 313.379 -0.024 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(Cc3nc(=O)n(C)[nH]3)C2)cn1 ZINC001605488771 1018601481 /nfs/dbraw/zinc/60/14/81/1018601481.db2.gz MCEQVNQIEWHLHZ-ZJUUUORDSA-N -1 0 320.353 -0.468 20 0 DBADRM Cn1cc(C(N)=O)c(NC(=O)c2cccn(CC(=O)[O-])c2=O)n1 ZINC001605484312 1018602132 /nfs/dbraw/zinc/60/21/32/1018602132.db2.gz WICDZKOJLGMDHK-UHFFFAOYSA-N -1 0 319.277 -0.982 20 0 DBADRM CCN1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CC1=O ZINC001605481794 1018602509 /nfs/dbraw/zinc/60/25/09/1018602509.db2.gz KYRNQKQBBFKMST-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)[C@H]3COC(=O)N3)C2)cn1 ZINC001605491307 1018603639 /nfs/dbraw/zinc/60/36/39/1018603639.db2.gz POYQFXXICAGWMA-WCABBAIRSA-N -1 0 322.321 -0.455 20 0 DBADRM Cn1cc(CNc2cnn(C(C)(C)C(=O)[O-])c2)c(=O)n(C)c1=O ZINC001605497080 1018604107 /nfs/dbraw/zinc/60/41/07/1018604107.db2.gz VKZYUIFNBTXLNK-UHFFFAOYSA-N -1 0 321.337 -0.288 20 0 DBADRM CCNC(=O)CC(=O)N(CC)CCNc1ncc(C(=O)[O-])cn1 ZINC001605489458 1018604309 /nfs/dbraw/zinc/60/43/09/1018604309.db2.gz GETKHNWJGJNMHL-UHFFFAOYSA-N -1 0 323.353 -0.039 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001605493402 1018604359 /nfs/dbraw/zinc/60/43/59/1018604359.db2.gz VDQHNOBFINZRIY-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM CCNC(=O)CN1CCCN(c2nccnc2C(=O)[O-])CC1 ZINC001605493111 1018604702 /nfs/dbraw/zinc/60/47/02/1018604702.db2.gz IKTLQJUDVLBPBZ-UHFFFAOYSA-N -1 0 307.354 -0.177 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)C1 ZINC001605495291 1018604949 /nfs/dbraw/zinc/60/49/49/1018604949.db2.gz VKERSRXHVMQGRN-VLEAKVRGSA-N -1 0 313.354 -0.215 20 0 DBADRM Cn1cc(CNC(=O)Nc2cncc(C(=O)[O-])c2)c(=O)[nH]c1=O ZINC001605497159 1018605255 /nfs/dbraw/zinc/60/52/55/1018605255.db2.gz XHRSCZOUACNJKL-UHFFFAOYSA-N -1 0 319.277 -0.099 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001605493409 1018605628 /nfs/dbraw/zinc/60/56/28/1018605628.db2.gz VZRZCWCRAZLBHT-LBPRGKRZSA-N -1 0 324.381 -0.377 20 0 DBADRM Cn1cc(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)c(C(N)=O)n1 ZINC001605501430 1018606822 /nfs/dbraw/zinc/60/68/22/1018606822.db2.gz CHUYGEWNLBJBTN-JGVFFNPUSA-N -1 0 310.310 -0.273 20 0 DBADRM CCNS(=O)(=O)NC1(C(=O)[O-])CCC(C(=O)OC)CC1 ZINC001605499030 1018607137 /nfs/dbraw/zinc/60/71/37/1018607137.db2.gz OHCWPRFTJWVYBL-UHFFFAOYSA-N -1 0 308.356 -0.383 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@@H]1COC(=O)C1 ZINC001605509443 1018609688 /nfs/dbraw/zinc/60/96/88/1018609688.db2.gz GHRHIHWHPCXRFV-LURJTMIESA-N -1 0 304.266 -0.679 20 0 DBADRM Cn1cnc(NC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001605519765 1018610018 /nfs/dbraw/zinc/61/00/18/1018610018.db2.gz PVQFJNNMVMKXRL-MRVPVSSYSA-N -1 0 310.314 -0.598 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)n(CC(=O)Nc2cnccn2)c1 ZINC001605510783 1018610036 /nfs/dbraw/zinc/61/00/36/1018610036.db2.gz HPCAHDMYRVEGRT-UHFFFAOYSA-N -1 0 312.293 -0.234 20 0 DBADRM CCOC(=O)C1(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CCC1 ZINC001605515939 1018610233 /nfs/dbraw/zinc/61/02/33/1018610233.db2.gz UMKDRGXQRWDVOK-IUCAKERBSA-N -1 0 314.338 -0.186 20 0 DBADRM Cn1ccnc1[C@@H]1CCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001605512589 1018610639 /nfs/dbraw/zinc/61/06/39/1018610639.db2.gz XQLLGTUFNDOQIR-SECBINFHSA-N -1 0 304.310 -0.274 20 0 DBADRM Cn1ccnc1CN1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001605512612 1018611873 /nfs/dbraw/zinc/61/18/73/1018611873.db2.gz XUQCBHJVWZJQJV-OAHLLOKOSA-N -1 0 322.365 -0.302 20 0 DBADRM CCOC(=O)[C@@H](CSC)NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001605512236 1018612012 /nfs/dbraw/zinc/61/20/12/1018612012.db2.gz CKRXBEUECDVINZ-SECBINFHSA-N -1 0 315.351 -0.008 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001605532196 1018612630 /nfs/dbraw/zinc/61/26/30/1018612630.db2.gz DOOIVEUXVWGFMY-RNCFNFMXSA-N -1 0 313.310 -0.843 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CCC1 ZINC001605520820 1018613213 /nfs/dbraw/zinc/61/32/13/1018613213.db2.gz KIVMNQDRJQDIQN-SFYZADRCSA-N -1 0 309.340 -0.774 20 0 DBADRM CCOC(=O)[C@H]1CCCCN1C(=O)CN[C@@](C)(CO)C(=O)[O-] ZINC001605524621 1018613869 /nfs/dbraw/zinc/61/38/69/1018613869.db2.gz LYQOJAHDRJOFLT-YGRLFVJLSA-N -1 0 316.354 -0.644 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)NCCCCC(=O)[O-] ZINC001605522210 1018614202 /nfs/dbraw/zinc/61/42/02/1018614202.db2.gz AOHZXVARDLATOP-JTQLQIEISA-N -1 0 323.353 -0.150 20 0 DBADRM CCOC(=O)[C@H]1CCCCN1C(=O)Cn1cnc(C(=O)[O-])n1 ZINC001605524845 1018614235 /nfs/dbraw/zinc/61/42/35/1018614235.db2.gz RHFVQMBJDCQIJU-SECBINFHSA-N -1 0 310.310 -0.080 20 0 DBADRM Cn1nc(Br)cc1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001605528694 1018614832 /nfs/dbraw/zinc/61/48/32/1018614832.db2.gz RFKSLOOCKWMSAU-VIFPVBQESA-N -1 0 306.116 -0.252 20 0 DBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)CC(=O)[O-])CC1 ZINC001605541726 1018616520 /nfs/dbraw/zinc/61/65/20/1018616520.db2.gz BXIWNOVUOUQWLQ-UHFFFAOYSA-N -1 0 300.311 -0.621 20 0 DBADRM CCOC(=O)Cn1ccc(N[C@@H]2CCN(CCC(=O)[O-])C2=O)n1 ZINC001605543134 1018616609 /nfs/dbraw/zinc/61/66/09/1018616609.db2.gz ATAFTYFCOWGQHM-SNVBAGLBSA-N -1 0 324.337 -0.066 20 0 DBADRM CCOC(=O)CCNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001605537738 1018616817 /nfs/dbraw/zinc/61/68/17/1018616817.db2.gz RHCUBBDKKFNJEN-UHFFFAOYSA-N -1 0 312.282 -0.874 20 0 DBADRM CCOC(=O)CN(CC)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001605539099 1018617094 /nfs/dbraw/zinc/61/70/94/1018617094.db2.gz ILAKMPYUNAHXNH-UHFFFAOYSA-N -1 0 310.306 -0.042 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1ccc(C(=O)[O-])s1 ZINC001605539210 1018617287 /nfs/dbraw/zinc/61/72/87/1018617287.db2.gz KLKKVUSQJCTNHF-UHFFFAOYSA-N -1 0 314.319 -0.063 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001605536980 1018617721 /nfs/dbraw/zinc/61/77/21/1018617721.db2.gz PGWAOMXOZWHLLB-VHSXEESVSA-N -1 0 323.367 -0.573 20 0 DBADRM CCOC(=O)COCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001605542269 1018617888 /nfs/dbraw/zinc/61/78/88/1018617888.db2.gz KCYNZUMHFBJIHX-SNVBAGLBSA-N -1 0 318.326 -0.549 20 0 DBADRM CCOC(=O)COCCNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001605542782 1018617929 /nfs/dbraw/zinc/61/79/29/1018617929.db2.gz VSLQVPQXJJGNIU-NXEZZACHSA-N -1 0 318.326 -0.957 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001605536979 1018617944 /nfs/dbraw/zinc/61/79/44/1018617944.db2.gz PGWAOMXOZWHLLB-UWVGGRQHSA-N -1 0 323.367 -0.573 20 0 DBADRM CCOC(=O)CCCNC(=O)CN1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001605538347 1018618378 /nfs/dbraw/zinc/61/83/78/1018618378.db2.gz SDBPVTGMDZKVOV-UWVGGRQHSA-N -1 0 304.318 -0.057 20 0 DBADRM CCOC(=O)N1CSC[C@H]1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001605552610 1018619036 /nfs/dbraw/zinc/61/90/36/1018619036.db2.gz UMJDNSZGNLIFHB-ZETCQYMHSA-N -1 0 304.324 -0.824 20 0 DBADRM Cn1nc2c(c1C(=O)NCCCC(=O)[O-])CS(=O)(=O)CC2 ZINC001605553120 1018619941 /nfs/dbraw/zinc/61/99/41/1018619941.db2.gz CRJMOEYZJFNWHW-UHFFFAOYSA-N -1 0 315.351 -0.514 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001605557592 1018621679 /nfs/dbraw/zinc/62/16/79/1018621679.db2.gz OGOYHMOLHNDEJC-IVZWLZJFSA-N -1 0 315.322 -0.092 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001605559133 1018623805 /nfs/dbraw/zinc/62/38/05/1018623805.db2.gz XKMZIVAKBNEAHU-OPRDCNLKSA-N -1 0 322.321 -0.051 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)Cc1nnc(C2CC2)[nH]1)C(=O)[O-] ZINC001605564359 1018624489 /nfs/dbraw/zinc/62/44/89/1018624489.db2.gz ZZJVSEZPUVRTPM-LLVKDONJSA-N -1 0 304.310 -0.100 20 0 DBADRM Cn1nccc1C1(O)CN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001605569384 1018624536 /nfs/dbraw/zinc/62/45/36/1018624536.db2.gz BYBBWALAQCFMAC-UHFFFAOYSA-N -1 0 303.278 -0.748 20 0 DBADRM CCOC(=O)c1cc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)on1 ZINC001605565467 1018624616 /nfs/dbraw/zinc/62/46/16/1018624616.db2.gz NIVROAHCFSEEAL-SFYZADRCSA-N -1 0 312.278 -0.241 20 0 DBADRM CCOC(=O)c1cc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)on1 ZINC001605565468 1018625397 /nfs/dbraw/zinc/62/53/97/1018625397.db2.gz NIVROAHCFSEEAL-YUMQZZPRSA-N -1 0 312.278 -0.241 20 0 DBADRM CCOC(=O)c1cc(CN2CC(n3cc(C(=O)[O-])nn3)C2)[nH]n1 ZINC001605564671 1018625520 /nfs/dbraw/zinc/62/55/20/1018625520.db2.gz FYWKSJAGFLWYKK-UHFFFAOYSA-N -1 0 320.309 -0.067 20 0 DBADRM Cn1nccc1C[C@@H]1CCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001605570986 1018626454 /nfs/dbraw/zinc/62/64/54/1018626454.db2.gz HXBGNDDCKHTRHZ-NSHDSACASA-N -1 0 318.337 -0.057 20 0 DBADRM Cn1nncc1CNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605575811 1018627230 /nfs/dbraw/zinc/62/72/30/1018627230.db2.gz BDJWKQFYGDMIJD-SNVBAGLBSA-N -1 0 324.341 -0.920 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001605579611 1018628119 /nfs/dbraw/zinc/62/81/19/1018628119.db2.gz GHTIOWSGOUNJLZ-RNFRBKRXSA-N -1 0 317.323 -0.415 20 0 DBADRM Cn1nncc1CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001605576535 1018628342 /nfs/dbraw/zinc/62/83/42/1018628342.db2.gz MOAQLPUZYZPVDC-UHFFFAOYSA-N -1 0 304.266 -0.837 20 0 DBADRM CCOC(=O)c1cnc(CC)nc1NCC(=O)NCC(=O)[O-] ZINC001605580204 1018628616 /nfs/dbraw/zinc/62/86/16/1018628616.db2.gz RIFHBXZFKRPVQW-UHFFFAOYSA-N -1 0 310.310 -0.172 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC001605575926 1018629129 /nfs/dbraw/zinc/62/91/29/1018629129.db2.gz GUUPNNSEVPJJOA-CYBMUJFWSA-N -1 0 306.322 -0.344 20 0 DBADRM Cn1nnc2cc(NC(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)ccc21 ZINC001605576630 1018629835 /nfs/dbraw/zinc/62/98/35/1018629835.db2.gz POQXXEFOOLNFIP-QMMMGPOBSA-N -1 0 317.305 -0.160 20 0 DBADRM CCO[C@H]1[C@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)[C@@H]1C ZINC001605598173 1018631194 /nfs/dbraw/zinc/63/11/94/1018631194.db2.gz XOYJMLWYMIMDED-HQUHEKEPSA-N -1 0 319.379 -0.339 20 0 DBADRM CCO[C@H]1C[C@](NCC(=O)NC(=O)NC)(C(=O)[O-])C1(C)C ZINC001605608422 1018631884 /nfs/dbraw/zinc/63/18/84/1018631884.db2.gz PUBPLZJCCKRLAV-SDBXPKJASA-N -1 0 301.343 -0.310 20 0 DBADRM CCOC1CC(O)(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001605609921 1018632149 /nfs/dbraw/zinc/63/21/49/1018632149.db2.gz DRZNWIUIFBRUEH-UHFFFAOYSA-N -1 0 319.339 -0.684 20 0 DBADRM CCOC1CC(O)(CNS(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001605610271 1018632366 /nfs/dbraw/zinc/63/23/66/1018632366.db2.gz KGPGUNUPCWOSGL-UHFFFAOYSA-N -1 0 307.368 -0.157 20 0 DBADRM CCOC(Cn1cc(C(=O)NC[C@H](O)C(=O)[O-])cn1)OCC ZINC001605593835 1018633163 /nfs/dbraw/zinc/63/31/63/1018633163.db2.gz QYBWWSPJAKIUDM-JTQLQIEISA-N -1 0 315.326 -0.543 20 0 DBADRM CCO[C@H]1C[C@](NC(=O)CCNC(N)=O)(C(=O)[O-])C1(C)C ZINC001605603815 1018633177 /nfs/dbraw/zinc/63/31/77/1018633177.db2.gz GQHJDMCJTHIIQI-SDBXPKJASA-N -1 0 301.343 -0.181 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605617049 1018634394 /nfs/dbraw/zinc/63/43/94/1018634394.db2.gz WHEVKKCGWPVLEW-LMLFDSFASA-N -1 0 314.338 -0.724 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001605625022 1018634510 /nfs/dbraw/zinc/63/45/10/1018634510.db2.gz RFFVDIHMVUZHAJ-ZJUUUORDSA-N -1 0 322.383 -0.736 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1nc(N)nc(N(C)C)n1 ZINC001605621036 1018634845 /nfs/dbraw/zinc/63/48/45/1018634845.db2.gz DWRRIEZJURESIM-ZETCQYMHSA-N -1 0 312.330 -0.919 20 0 DBADRM NC(=O)[C@H](F)C1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001605626695 1018636904 /nfs/dbraw/zinc/63/69/04/1018636904.db2.gz JLFXKSFDYKWJNW-DTWKUNHWSA-N -1 0 301.274 -0.722 20 0 DBADRM NC(=O)C[C@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)C1CCOCC1 ZINC001605628181 1018637297 /nfs/dbraw/zinc/63/72/97/1018637297.db2.gz ZFPWNOIMFNWLFO-QMMMGPOBSA-N -1 0 310.310 -0.492 20 0 DBADRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001605631640 1018637646 /nfs/dbraw/zinc/63/76/46/1018637646.db2.gz YJBBGUBNUBPDRU-MNOVXSKESA-N -1 0 315.370 -0.014 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC001605627256 1018638065 /nfs/dbraw/zinc/63/80/65/1018638065.db2.gz YYKRUUZSJCMBNR-SNVBAGLBSA-N -1 0 320.305 -0.186 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC001605627223 1018638279 /nfs/dbraw/zinc/63/82/79/1018638279.db2.gz XKXIOGWLDUBOCV-IYABHPQVSA-N -1 0 307.262 -0.263 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)C1 ZINC001605626787 1018638371 /nfs/dbraw/zinc/63/83/71/1018638371.db2.gz MCPWOYFDAUIVHV-RKDXNWHRSA-N -1 0 312.326 -0.487 20 0 DBADRM NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605626354 1018638484 /nfs/dbraw/zinc/63/84/84/1018638484.db2.gz DFYXSMQIEPEIKC-OPRDCNLKSA-N -1 0 311.338 -0.920 20 0 DBADRM NC(=O)CC[C@@H]1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001605631752 1018638826 /nfs/dbraw/zinc/63/88/26/1018638826.db2.gz GFGNAQOXLCSZDB-VIFPVBQESA-N -1 0 309.326 -0.520 20 0 DBADRM NC(=O)[C@H](F)C1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001605626697 1018639052 /nfs/dbraw/zinc/63/90/52/1018639052.db2.gz JLFXKSFDYKWJNW-RKDXNWHRSA-N -1 0 301.274 -0.722 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c1 ZINC001605635344 1018639866 /nfs/dbraw/zinc/63/98/66/1018639866.db2.gz UUQAYCPNHFMLLF-VIFPVBQESA-N -1 0 322.321 -0.691 20 0 DBADRM NC(=O)c1cccc(C(=O)N(CC(=O)[O-])C2CCOCC2)n1 ZINC001605641577 1018640345 /nfs/dbraw/zinc/64/03/45/1018640345.db2.gz QMVBUZLGTGPCMQ-UHFFFAOYSA-N -1 0 307.306 -0.114 20 0 DBADRM CCOCCO[C@H](C)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001605638142 1018640493 /nfs/dbraw/zinc/64/04/93/1018640493.db2.gz KRIGBFAXCNNGPM-ZJUUUORDSA-N -1 0 302.327 -0.770 20 0 DBADRM CCOCCOCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605638066 1018640657 /nfs/dbraw/zinc/64/06/57/1018640657.db2.gz GDFVCKNQLWYADS-NXEZZACHSA-N -1 0 303.311 -0.628 20 0 DBADRM CCOC[C@H](C)NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001605640817 1018640703 /nfs/dbraw/zinc/64/07/03/1018640703.db2.gz KPFGZTNBWWKFAW-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM NC(=O)[C@]12CCC[C@H]1CN(C(=O)C1(C(=O)[O-])CCOCC1)C2 ZINC001605635568 1018641101 /nfs/dbraw/zinc/64/11/01/1018641101.db2.gz XJCJUKIAXHSUKD-BONVTDFDSA-N -1 0 310.350 -0.018 20 0 DBADRM CCOCCOCCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001605639388 1018641360 /nfs/dbraw/zinc/64/13/60/1018641360.db2.gz LZJSMIWMKJFBFT-UHFFFAOYSA-N -1 0 307.328 -0.561 20 0 DBADRM CCO[C@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001605652000 1018642367 /nfs/dbraw/zinc/64/23/67/1018642367.db2.gz IHQLISYSDYKARO-OUAUKWLOSA-N -1 0 314.338 -0.628 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)co1 ZINC001605650109 1018642864 /nfs/dbraw/zinc/64/28/64/1018642864.db2.gz QVLQJUTUKWMPSV-SVRRBLITSA-N -1 0 302.308 -0.090 20 0 DBADRM CCO[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)C1 ZINC001605652083 1018642950 /nfs/dbraw/zinc/64/29/50/1018642950.db2.gz JXQSJYGTGLTIKA-GPCCPHFNSA-N -1 0 314.338 -0.628 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@@H]1SC ZINC001605651451 1018643821 /nfs/dbraw/zinc/64/38/21/1018643821.db2.gz GZVLOSOXGCAUTB-KDXUFGMBSA-N -1 0 322.358 -0.450 20 0 DBADRM CCO[C@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001605651998 1018643952 /nfs/dbraw/zinc/64/39/52/1018643952.db2.gz IHQLISYSDYKARO-DCAQKATOSA-N -1 0 314.338 -0.628 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@H]1CCCN(C3CC3)C1=O)C2 ZINC001605660485 1018644702 /nfs/dbraw/zinc/64/47/02/1018644702.db2.gz PKFJSMKWMDUFKD-NSODJVPESA-N -1 0 322.361 -0.053 20 0 DBADRM O=C([O-])c1c(NC(=O)CCc2cn[nH]n2)nc2n1CCOC2 ZINC001605687109 1018644793 /nfs/dbraw/zinc/64/47/93/1018644793.db2.gz CCDKTEGTNWFXAO-UHFFFAOYSA-N -1 0 306.282 -0.199 20 0 DBADRM Nc1ncnc2c1ncn2CCNC(=O)C1(C(=O)[O-])CCC1 ZINC001605660516 1018645578 /nfs/dbraw/zinc/64/55/78/1018645578.db2.gz PZXFCPSYGVGOTJ-UHFFFAOYSA-N -1 0 304.310 -0.220 20 0 DBADRM CCO[C@H]1C[C@H](NC(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001605653743 1018647335 /nfs/dbraw/zinc/64/73/35/1018647335.db2.gz IIGLHZLRFGREOE-MGCOHNPYSA-N -1 0 301.343 -0.166 20 0 DBADRM O=C([O-])c1cnc(C(=O)OCC(=O)NC[C@H]2CCCO2)cn1 ZINC001605703992 1018648956 /nfs/dbraw/zinc/64/89/56/1018648956.db2.gz DEDIXVGJVQVNGH-MRVPVSSYSA-N -1 0 309.278 -0.373 20 0 DBADRM O=C([O-])c1c[nH]nc1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC001605703099 1018650467 /nfs/dbraw/zinc/65/04/67/1018650467.db2.gz SVXGWNVXEZQOPO-ZCFIWIBFSA-N -1 0 319.364 -0.033 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@H](C(=O)[O-])c1cccnc1 ZINC001605726600 1018651879 /nfs/dbraw/zinc/65/18/79/1018651879.db2.gz YLBGTTHJHLTEMR-SCZZXKLOSA-N -1 0 315.351 -0.349 20 0 DBADRM CCS(=O)(=O)N1CCN([C@H](CCC(=O)[O-])C(=O)OC)CC1 ZINC001605726590 1018651974 /nfs/dbraw/zinc/65/19/74/1018651974.db2.gz XJOADLZXGJPASF-SNVBAGLBSA-N -1 0 322.383 -0.640 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccnc1 ZINC001605726599 1018652327 /nfs/dbraw/zinc/65/23/27/1018652327.db2.gz YLBGTTHJHLTEMR-PSASIEDQSA-N -1 0 315.351 -0.349 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001605725825 1018652431 /nfs/dbraw/zinc/65/24/31/1018652431.db2.gz IIQMXDPTLKBQHI-SCZZXKLOSA-N -1 0 306.384 -0.069 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccnc1 ZINC001605726601 1018652537 /nfs/dbraw/zinc/65/25/37/1018652537.db2.gz YLBGTTHJHLTEMR-WCBMZHEXSA-N -1 0 315.351 -0.349 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001605725883 1018652683 /nfs/dbraw/zinc/65/26/83/1018652683.db2.gz KKGUEEQCRDLYLY-QMMMGPOBSA-N -1 0 315.351 -0.276 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001605726553 1018652745 /nfs/dbraw/zinc/65/27/45/1018652745.db2.gz VZHAQDHNZHWHIQ-RITPCOANSA-N -1 0 320.289 -0.164 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001605725828 1018652801 /nfs/dbraw/zinc/65/28/01/1018652801.db2.gz IIQMXDPTLKBQHI-WPRPVWTQSA-N -1 0 306.384 -0.069 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC001605727821 1018652894 /nfs/dbraw/zinc/65/28/94/1018652894.db2.gz PFTORUMHTRIMOW-BDAKNGLRSA-N -1 0 308.356 -0.984 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)NCC1(C(=O)[O-])CC1 ZINC001605724661 1018652932 /nfs/dbraw/zinc/65/29/32/1018652932.db2.gz CLJJQXDFVWYZGW-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001605726527 1018653413 /nfs/dbraw/zinc/65/34/13/1018653413.db2.gz VCNIPQCJLNCNPS-XVKPBYJWSA-N -1 0 310.397 -0.609 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2n[nH]nc2C(=O)NC2CC2)CCO1 ZINC001605743414 1018654636 /nfs/dbraw/zinc/65/46/36/1018654636.db2.gz KFSIRHXWUGKJJY-ZETCQYMHSA-N -1 0 324.297 -0.986 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)c1cc(C(=O)[O-])on1 ZINC001605728155 1018655135 /nfs/dbraw/zinc/65/51/35/1018655135.db2.gz ZPVFFBGSPQHESM-UHFFFAOYSA-N -1 0 305.312 -0.568 20 0 DBADRM CC[S@](=O)CCN1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001605734926 1018656182 /nfs/dbraw/zinc/65/61/82/1018656182.db2.gz ARIWTVWWVCPVKC-DYCLVXDSSA-N -1 0 302.352 -0.118 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)NC1CC(CC(=O)[O-])C1 ZINC001605728123 1018656601 /nfs/dbraw/zinc/65/66/01/1018656601.db2.gz XWQZDAFCNRZIKO-UHFFFAOYSA-N -1 0 321.399 -0.132 20 0 DBADRM O=C([O-])c1cc(C(=O)NC2(c3ncon3)CCOCC2)[nH]n1 ZINC001605742932 1018656615 /nfs/dbraw/zinc/65/66/15/1018656615.db2.gz FLGXMPQVCQONEA-UHFFFAOYSA-N -1 0 307.266 -0.073 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCCOCC2)CCOCC1 ZINC001605761206 1018658054 /nfs/dbraw/zinc/65/80/54/1018658054.db2.gz YZQUGSUGECUBHF-UHFFFAOYSA-N -1 0 314.338 -0.767 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NC2CCOCC2)CCOCC1 ZINC001605761175 1018658208 /nfs/dbraw/zinc/65/82/08/1018658208.db2.gz UPFJJVRRRUZREO-UHFFFAOYSA-N -1 0 314.338 -0.721 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)C1 ZINC001605752516 1018658328 /nfs/dbraw/zinc/65/83/28/1018658328.db2.gz BHFYQRQEJKEMAM-ZJUUUORDSA-N -1 0 306.322 -0.684 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2CCO)C1 ZINC001605749333 1018658498 /nfs/dbraw/zinc/65/84/98/1018658498.db2.gz JUHGJFDAOYZOAE-WOPDTQHZSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NC/C=C/Cl)CCOCC1 ZINC001605774666 1018659416 /nfs/dbraw/zinc/65/94/16/1018659416.db2.gz CQDSDCPGLWLKHB-DAFODLJHSA-N -1 0 304.730 -0.147 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N(CCO)CCNc1ccnc(C(=O)[O-])n1 ZINC001605753456 1018659686 /nfs/dbraw/zinc/65/96/86/1018659686.db2.gz ZOJZHFUBSSCDEL-GHMZBOCLSA-N -1 0 322.365 -0.124 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001605791274 1018662459 /nfs/dbraw/zinc/66/24/59/1018662459.db2.gz QNWHLPMKORYUGN-NSHDSACASA-N -1 0 316.321 -0.499 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCCn1cccn1 ZINC001605792743 1018662813 /nfs/dbraw/zinc/66/28/13/1018662813.db2.gz LRSXVWPYXKZZJD-UHFFFAOYSA-N -1 0 303.278 -0.269 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NCCc2cn[nH]c2)c1 ZINC001605792750 1018662976 /nfs/dbraw/zinc/66/29/76/1018662976.db2.gz LVEASCCHJYMZQN-UHFFFAOYSA-N -1 0 303.278 -0.200 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1C(=O)N1C[C@H](O)C[C@H]1CO ZINC001605791540 1018663117 /nfs/dbraw/zinc/66/31/17/1018663117.db2.gz VZBKOMRNRQCKFT-WDEREUQCSA-N -1 0 303.322 -0.257 20 0 DBADRM CCc1ccc(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])nc1 ZINC001605810269 1018665692 /nfs/dbraw/zinc/66/56/92/1018665692.db2.gz UGFACYYRXXYFLE-LBPRGKRZSA-N -1 0 305.334 -0.012 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)C1 ZINC001605837539 1018666023 /nfs/dbraw/zinc/66/60/23/1018666023.db2.gz QHHBTKIFVPBQAT-OSTYVCCYSA-N -1 0 319.317 -0.063 20 0 DBADRM O=C([O-])C(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O ZINC001605878378 1018669230 /nfs/dbraw/zinc/66/92/30/1018669230.db2.gz BDHONAMNSHNTNI-UHFFFAOYSA-N -1 0 310.287 -0.265 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cc2c[nH]c3cnccc23)CC1 ZINC001605885452 1018669801 /nfs/dbraw/zinc/66/98/01/1018669801.db2.gz JCMNUAXOBNPFAL-UHFFFAOYSA-N -1 0 316.317 -0.139 20 0 DBADRM CCc1nncn1CCNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001605874196 1018670072 /nfs/dbraw/zinc/67/00/72/1018670072.db2.gz RHASBFSABMWERV-NXEZZACHSA-N -1 0 323.353 -0.864 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001605867091 1018670102 /nfs/dbraw/zinc/67/01/02/1018670102.db2.gz QYIIOAGKROOULZ-OPBZGHIISA-N -1 0 323.330 -0.550 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N2CCO[C@H](CF)C2)c1 ZINC001605870881 1018670454 /nfs/dbraw/zinc/67/04/54/1018670454.db2.gz JIYAQWFFZLHLEG-SNVBAGLBSA-N -1 0 311.269 -0.085 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ocnc2C(F)F)CC1 ZINC001605886097 1018671824 /nfs/dbraw/zinc/67/18/24/1018671824.db2.gz NKIOYHLRNSQGTA-UHFFFAOYSA-N -1 0 303.221 -0.019 20 0 DBADRM O=C([O-])[C@H](C(=O)NC[C@@]1(CO)COCCN1)C1CCCC1 ZINC001605893406 1018672285 /nfs/dbraw/zinc/67/22/85/1018672285.db2.gz XKHBQIVTBXOQSX-SMDDNHRTSA-N -1 0 300.355 -0.656 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cc2[nH]nc3c2CCCC3)CC1 ZINC001605885949 1018672856 /nfs/dbraw/zinc/67/28/56/1018672856.db2.gz VBMMKYBREHAIDM-UHFFFAOYSA-N -1 0 320.349 -0.414 20 0 DBADRM Cc1ccc2c(n1)c(=O)c(-c1nnn[n-]1)cn2Cc1nnn(C)n1 ZINC001605889870 1018672963 /nfs/dbraw/zinc/67/29/63/1018672963.db2.gz QPEATSVYWIFIKX-UHFFFAOYSA-N -1 0 324.308 -0.543 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC3(COC3)C2)CCS(=O)(=O)CC1 ZINC001605912962 1018673104 /nfs/dbraw/zinc/67/31/04/1018673104.db2.gz UTHDMFBYYQVSGD-UHFFFAOYSA-N -1 0 317.363 -0.485 20 0 DBADRM CCn1c([C@H]2CCNC(=O)C2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001605908399 1018673115 /nfs/dbraw/zinc/67/31/15/1018673115.db2.gz WVGNYPHEOOXSEA-UWVGGRQHSA-N -1 0 323.353 -0.419 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)C2SCCCS2)CC1 ZINC001605885679 1018673165 /nfs/dbraw/zinc/67/31/65/1018673165.db2.gz LIRTUQHWFUPDJZ-UHFFFAOYSA-N -1 0 304.393 -0.062 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CCC[C@](C)(C(=O)[O-])C2)nn1 ZINC001605920879 1018674122 /nfs/dbraw/zinc/67/41/22/1018674122.db2.gz KUNPNQATMMHYNF-AWEZNQCLSA-N -1 0 323.353 -0.373 20 0 DBADRM CCn1cc(CNC(=O)c2c[nH]c(C(=O)[O-])c2)c(=O)[nH]c1=O ZINC001605922733 1018674335 /nfs/dbraw/zinc/67/43/35/1018674335.db2.gz YSULXCFVRBOTSG-UHFFFAOYSA-N -1 0 306.278 -0.075 20 0 DBADRM CCn1cc(CC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cn1 ZINC001605920046 1018674574 /nfs/dbraw/zinc/67/45/74/1018674574.db2.gz BPAVMSFHMHRIAB-NSHDSACASA-N -1 0 308.338 -0.363 20 0 DBADRM CCn1cc(CCN2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001605920321 1018674716 /nfs/dbraw/zinc/67/47/16/1018674716.db2.gz IYORGAUKUPKEQZ-STQMWFEESA-N -1 0 306.366 -0.033 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@H]2CC[C@@H](O)C2)CCS(=O)(=O)CC1 ZINC001605924047 1018675036 /nfs/dbraw/zinc/67/50/36/1018675036.db2.gz MXSZIDDHFVCAHG-VHSXEESVSA-N -1 0 319.379 -0.457 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001606038777 1018702593 /nfs/dbraw/zinc/70/25/93/1018702593.db2.gz DLLLAWABAYVPFW-UHFFFAOYSA-N -1 0 321.399 -0.516 20 0 DBADRM CCn1ccnc1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001605931461 1018676781 /nfs/dbraw/zinc/67/67/81/1018676781.db2.gz PLZWJZYTBLJDKJ-WDEREUQCSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1ccc(CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])n1 ZINC001605927431 1018677828 /nfs/dbraw/zinc/67/78/28/1018677828.db2.gz HVZXBXFGLVMSQM-IUCAKERBSA-N -1 0 311.342 -0.320 20 0 DBADRM CCn1nnc(C)c1CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001605945301 1018679513 /nfs/dbraw/zinc/67/95/13/1018679513.db2.gz IUJCWGNBCFZJGP-NWDGAFQWSA-N -1 0 321.381 -0.029 20 0 DBADRM CCn1nccc1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605944901 1018679611 /nfs/dbraw/zinc/67/96/11/1018679611.db2.gz CQXXIYBFXNGSBU-UWVGGRQHSA-N -1 0 306.322 -0.436 20 0 DBADRM CCn1nc(C)c(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)n1 ZINC001605940324 1018679642 /nfs/dbraw/zinc/67/96/42/1018679642.db2.gz ZTGIBLMCAIRUIF-UHFFFAOYSA-N -1 0 314.327 -0.494 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001605946741 1018679810 /nfs/dbraw/zinc/67/98/10/1018679810.db2.gz CKTLRXXRBITGPO-VIFPVBQESA-N -1 0 309.326 -0.620 20 0 DBADRM CCn1nccc1C(=O)O[C@@H]1COC[C@H]1n1cc(C(=O)[O-])nn1 ZINC001605945665 1018680010 /nfs/dbraw/zinc/68/00/10/1018680010.db2.gz SIEYLQWSZQOVMS-GHMZBOCLSA-N -1 0 321.293 -0.010 20 0 DBADRM CCn1ncc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)c1C ZINC001605941701 1018680376 /nfs/dbraw/zinc/68/03/76/1018680376.db2.gz WSIOEJJROXYPHR-UHFFFAOYSA-N -1 0 318.337 -0.037 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cncn2C)C1 ZINC001605956035 1018681603 /nfs/dbraw/zinc/68/16/03/1018681603.db2.gz FCXOPHCGQLCONQ-UWVGGRQHSA-N -1 0 306.322 -0.576 20 0 DBADRM Cc1ccn(CC(=O)NC2CCOCC2)c(=O)c1-c1nnn[n-]1 ZINC001605948894 1018682257 /nfs/dbraw/zinc/68/22/57/1018682257.db2.gz ZAUWOZPLVCKQKE-UHFFFAOYSA-N -1 0 318.337 -0.368 20 0 DBADRM Cc1ccn(C)c1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001605948867 1018683117 /nfs/dbraw/zinc/68/31/17/1018683117.db2.gz XGROJTQQFCUAOJ-UHFFFAOYSA-N -1 0 301.314 -0.465 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCN(c3cc(F)ncn3)CC2)C1 ZINC001605967662 1018683837 /nfs/dbraw/zinc/68/38/37/1018683837.db2.gz KOWWVBHSYGLNTM-VIFPVBQESA-N -1 0 323.284 -0.506 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCC(N3CCCC3=O)CC2)C1 ZINC001605963666 1018683958 /nfs/dbraw/zinc/68/39/58/1018683958.db2.gz IEPWZQSXUPANLL-LLVKDONJSA-N -1 0 309.322 -0.171 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)C1 ZINC001605964332 1018685008 /nfs/dbraw/zinc/68/50/08/1018685008.db2.gz ZRETXSTVYULBDF-IQIPOGNMSA-N -1 0 312.322 -0.396 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@@H]2CN(c3ccccc3)C2=O)C1 ZINC001605966940 1018685232 /nfs/dbraw/zinc/68/52/32/1018685232.db2.gz FBXQUTGRJNECHA-GHMZBOCLSA-N -1 0 303.274 -0.253 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCC(N3CCCC3=O)CC2)C1 ZINC001605963667 1018685682 /nfs/dbraw/zinc/68/56/82/1018685682.db2.gz IEPWZQSXUPANLL-NSHDSACASA-N -1 0 309.322 -0.171 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCC(N3CCNC3=O)CC2)C1 ZINC001605964230 1018685704 /nfs/dbraw/zinc/68/57/04/1018685704.db2.gz XMWJNQFIUNBRNV-SNVBAGLBSA-N -1 0 310.310 -0.768 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@H]2CN(c3ccccc3)C2=O)C1 ZINC001605966943 1018685991 /nfs/dbraw/zinc/68/59/91/1018685991.db2.gz FBXQUTGRJNECHA-WDEREUQCSA-N -1 0 303.274 -0.253 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(OCc2nnn(CC(F)(F)F)n2)C1 ZINC001605977799 1018686956 /nfs/dbraw/zinc/68/69/56/1018686956.db2.gz MOHXWZGMAGMUQJ-YFKPBYRVSA-N -1 0 309.204 -0.400 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001605974756 1018687210 /nfs/dbraw/zinc/68/72/10/1018687210.db2.gz VQNVPPCUBMBKHV-MRVPVSSYSA-N -1 0 307.310 -0.658 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CC(=O)N(CCC(F)(F)F)C2)C1 ZINC001605978644 1018687284 /nfs/dbraw/zinc/68/72/84/1018687284.db2.gz ZRERHHTUOJKDED-MRVPVSSYSA-N -1 0 323.271 -0.069 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CC[C@H](CN3CCOC3=O)C2)C1 ZINC001605976636 1018687576 /nfs/dbraw/zinc/68/75/76/1018687576.db2.gz FKWQNMHPJYNNGR-WDEREUQCSA-N -1 0 311.338 -0.349 20 0 DBADRM CN(C(C)(C)C(N)=O)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001605992766 1018688351 /nfs/dbraw/zinc/68/83/51/1018688351.db2.gz LWEZCNXGVBJPDH-UHFFFAOYSA-N -1 0 301.324 -0.336 20 0 DBADRM Cc1cnoc1C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001605992017 1018688555 /nfs/dbraw/zinc/68/85/55/1018688555.db2.gz TXTQSNRJAHSQTC-UHFFFAOYSA-N -1 0 315.297 -0.783 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CC[C@@H](CN3CCOC3=O)C2)C1 ZINC001605976634 1018688730 /nfs/dbraw/zinc/68/87/30/1018688730.db2.gz FKWQNMHPJYNNGR-MNOVXSKESA-N -1 0 311.338 -0.349 20 0 DBADRM CN(C)C(=O)C1(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CC1 ZINC001605991364 1018688810 /nfs/dbraw/zinc/68/88/10/1018688810.db2.gz RRDCTEXIHWFVEG-ZDUSSCGKSA-N -1 0 309.322 -0.313 20 0 DBADRM CN(C(C)(C)C(=O)[O-])S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001605989112 1018688942 /nfs/dbraw/zinc/68/89/42/1018688942.db2.gz FIYBJEXUPVWXEN-SECBINFHSA-N -1 0 304.368 -0.126 20 0 DBADRM Cc1cnn(C)c1NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001605989853 1018689094 /nfs/dbraw/zinc/68/90/94/1018689094.db2.gz QHDFYFJQJQRNAM-SSDOTTSWSA-N -1 0 302.302 -0.300 20 0 DBADRM CN(C(=O)Nc1c(C(=O)[O-])cnn1C)[C@@H]1CCS(=O)(=O)C1 ZINC001605972255 1018689117 /nfs/dbraw/zinc/68/91/17/1018689117.db2.gz TUZUWZFGBUMJIC-SSDOTTSWSA-N -1 0 316.339 -0.231 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN(CC3CC3)CC2)C1 ZINC001606000225 1018690358 /nfs/dbraw/zinc/69/03/58/1018690358.db2.gz SZFGPKYAVAYYCO-LBPRGKRZSA-N -1 0 309.366 -0.526 20 0 DBADRM CN(C)C(=O)CCCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001605993354 1018690872 /nfs/dbraw/zinc/69/08/72/1018690872.db2.gz HNPXRJHSLLCLCR-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001605996594 1018691253 /nfs/dbraw/zinc/69/12/53/1018691253.db2.gz HCRCECRORUIMNE-OTYXRUKQSA-N -1 0 311.338 -0.953 20 0 DBADRM CN(C)C(=O)N1CCC(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)CC1 ZINC001606004884 1018693866 /nfs/dbraw/zinc/69/38/66/1018693866.db2.gz WNJAAVRNHDBJLO-WJONMLJTSA-N -1 0 313.354 -0.526 20 0 DBADRM CN(C)[C@]1(C(=O)N[C@H](CO)C(=O)[O-])COc2ccccc2C1 ZINC001606011461 1018694100 /nfs/dbraw/zinc/69/41/00/1018694100.db2.gz NCBOHZYAWPCDAX-ABAIWWIYSA-N -1 0 308.334 -0.516 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)Nc2c(C(=O)[O-])cnn2C)CC1 ZINC001606004974 1018694123 /nfs/dbraw/zinc/69/41/23/1018694123.db2.gz ZPBLMYCWAAVFTH-UHFFFAOYSA-N -1 0 324.341 -0.051 20 0 DBADRM CN(C)C(=O)Cn1ccc(N[C@@H]2CCN(CCC(=O)[O-])C2=O)n1 ZINC001606003728 1018694899 /nfs/dbraw/zinc/69/48/99/1018694899.db2.gz DOHWTJXNDRKNRT-SNVBAGLBSA-N -1 0 323.353 -0.541 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001606037622 1018704078 /nfs/dbraw/zinc/70/40/78/1018704078.db2.gz MGHHAQHLOPOJJN-RKDXNWHRSA-N -1 0 319.383 -0.570 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2C(=O)[C@]3(CCCO3)[C@H]2C2CC2)CCO1 ZINC001606046449 1018705134 /nfs/dbraw/zinc/70/51/34/1018705134.db2.gz OOKLEKYKBYLBSR-ZOWXZIJZSA-N -1 0 310.350 -0.101 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001606045543 1018705185 /nfs/dbraw/zinc/70/51/85/1018705185.db2.gz MFZXNYWYUKIUOP-ASWVTFRLSA-N -1 0 321.399 -0.301 20 0 DBADRM CN(C)S(=O)(=O)N1CC(N[C@H](C(=O)[O-])c2cccnc2)C1 ZINC001606039104 1018706273 /nfs/dbraw/zinc/70/62/73/1018706273.db2.gz LDSHJMNOUPIBPR-NSHDSACASA-N -1 0 314.367 -0.713 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)NCC1(C(=O)[O-])CCCC1 ZINC001606039321 1018706399 /nfs/dbraw/zinc/70/63/99/1018706399.db2.gz ONENVLZYVHEKAV-UHFFFAOYSA-N -1 0 321.399 -0.514 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)NCCSCC(=O)[O-] ZINC001606045081 1018706780 /nfs/dbraw/zinc/70/67/80/1018706780.db2.gz FCBOVOZFHAGSIA-KRWDZBQOSA-N -1 0 319.430 -0.787 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](CF)C(=O)[O-])n(C)c1 ZINC001606039390 1018706970 /nfs/dbraw/zinc/70/69/70/1018706970.db2.gz XOHXXZAQCQKGJG-MRVPVSSYSA-N -1 0 321.330 -0.572 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H](CF)C(=O)[O-])cn1 ZINC001606041815 1018707004 /nfs/dbraw/zinc/70/70/04/1018707004.db2.gz VBTDTTZCHFIRLV-MRVPVSSYSA-N -1 0 319.314 -0.516 20 0 DBADRM CCO[C@H](C)C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001501436085 1018707616 /nfs/dbraw/zinc/70/76/16/1018707616.db2.gz TVEUDBOMXJPJLI-RKDXNWHRSA-N -1 0 314.342 -0.944 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1cnn(CCF)c1 ZINC001606057585 1018708641 /nfs/dbraw/zinc/70/86/41/1018708641.db2.gz QTPPMRZNSNCEFH-SNVBAGLBSA-N -1 0 305.331 -0.464 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CCO[C@@H]1CCCCO1 ZINC001606056922 1018708655 /nfs/dbraw/zinc/70/86/55/1018708655.db2.gz GLSIXVQQIPKYIP-GHMZBOCLSA-N -1 0 307.368 -0.287 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cncc(F)c1 ZINC001606056972 1018709889 /nfs/dbraw/zinc/70/98/89/1018709889.db2.gz INUJWVIZGVTWQD-SECBINFHSA-N -1 0 302.283 -0.456 20 0 DBADRM O=C([O-])CC1(C(=O)NCCN2C(=O)CCC2=O)CCOCC1 ZINC001606072690 1018710383 /nfs/dbraw/zinc/71/03/83/1018710383.db2.gz NUGHTQLGPMGSBE-UHFFFAOYSA-N -1 0 312.322 -0.477 20 0 DBADRM O=C([O-])CC1(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CCCCC1 ZINC001606078007 1018710700 /nfs/dbraw/zinc/71/07/00/1018710700.db2.gz QRPJRVVMODZKSI-NQBHXWOUSA-N -1 0 313.350 -0.307 20 0 DBADRM CN(C)c1nc(N)nc(CN[C@@H](C(=O)[O-])c2ccnn2C)n1 ZINC001606078436 1018711744 /nfs/dbraw/zinc/71/17/44/1018711744.db2.gz BMCAPJMUPCHEBD-SECBINFHSA-N -1 0 306.330 -0.831 20 0 DBADRM O=C([O-])CC1(C(=O)N2CCN3CCOC[C@H]3C2)CCOCC1 ZINC001606070364 1018711994 /nfs/dbraw/zinc/71/19/94/1018711994.db2.gz DEMRTYSHMAAADZ-GFCCVEGCSA-N -1 0 312.366 -0.199 20 0 DBADRM CN(CC(=O)NC(C)(C)C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001606079082 1018712815 /nfs/dbraw/zinc/71/28/15/1018712815.db2.gz DTTOWMGBRPBRCW-SECBINFHSA-N -1 0 313.354 -0.707 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC001606076248 1018712919 /nfs/dbraw/zinc/71/29/19/1018712919.db2.gz KXCMGZFGWGSAOJ-UHFFFAOYSA-N -1 0 322.383 -0.435 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2CCn3cncc3C2)C1 ZINC001606090204 1018713551 /nfs/dbraw/zinc/71/35/51/1018713551.db2.gz DHVIMXVUKLURQV-LLVKDONJSA-N -1 0 320.349 -0.061 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)n1 ZINC001606080575 1018713980 /nfs/dbraw/zinc/71/39/80/1018713980.db2.gz NABVKUABTMMDAS-CYBMUJFWSA-N -1 0 324.341 -0.727 20 0 DBADRM CN(CC(F)(F)F)C(=O)COC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001606090911 1018714751 /nfs/dbraw/zinc/71/47/51/1018714751.db2.gz WDFMQQOCMXCIPH-UHFFFAOYSA-N -1 0 324.215 -0.460 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)n1 ZINC001606079549 1018714849 /nfs/dbraw/zinc/71/48/49/1018714849.db2.gz GFQRQCLFKKALDL-CYBMUJFWSA-N -1 0 308.342 -0.153 20 0 DBADRM CN(CC(=O)NC1CC1)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001606080414 1018715056 /nfs/dbraw/zinc/71/50/56/1018715056.db2.gz BVXJVNWLKRFFNH-UHFFFAOYSA-N -1 0 315.351 -0.378 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)Nc2nc(CC(=O)[O-])cs2)n1 ZINC001606082008 1018715070 /nfs/dbraw/zinc/71/50/70/1018715070.db2.gz ZKMMPPKEJYGJKM-UHFFFAOYSA-N -1 0 323.338 -0.144 20 0 DBADRM CN(CC(C)(C)O)C(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001606090594 1018715565 /nfs/dbraw/zinc/71/55/65/1018715565.db2.gz NVSVJHGRFAGWJT-CQSZACIVSA-N -1 0 300.355 -0.071 20 0 DBADRM CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)NCCCCC(=O)[O-] ZINC001606099503 1018716379 /nfs/dbraw/zinc/71/63/79/1018716379.db2.gz GZSNLTMSCGITDT-MNOVXSKESA-N -1 0 300.355 -0.023 20 0 DBADRM CN(CC1CCCC1)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001606099560 1018717042 /nfs/dbraw/zinc/71/70/42/1018717042.db2.gz IYITZCGDHDTMAQ-VXGBXAGGSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001606101044 1018719123 /nfs/dbraw/zinc/71/91/23/1018719123.db2.gz PHRPDTFRKMHIMU-FIQHERPVSA-N -1 0 312.366 -0.025 20 0 DBADRM O=C([O-])CCC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC001606098993 1018719488 /nfs/dbraw/zinc/71/94/88/1018719488.db2.gz VRZUHCCCXSTOKD-MRVPVSSYSA-N -1 0 321.376 -0.136 20 0 DBADRM O=C([O-])CCCNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC001606179161 1018720404 /nfs/dbraw/zinc/72/04/04/1018720404.db2.gz FQJIUHXJVKAPGZ-NSHDSACASA-N -1 0 312.297 -0.103 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2CCN3C(=O)N=NC3C2)CO1 ZINC001606108524 1018720539 /nfs/dbraw/zinc/72/05/39/1018720539.db2.gz VXTATCPNFMJDLL-RKDXNWHRSA-N -1 0 310.310 -0.404 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H]2CCOC2)CO1 ZINC001606107172 1018721086 /nfs/dbraw/zinc/72/10/86/1018721086.db2.gz JLROMOYPEFVZRX-NNYUYHANSA-N -1 0 301.339 -0.230 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001606185643 1018721151 /nfs/dbraw/zinc/72/11/51/1018721151.db2.gz XMGJFJSJCAKEJC-ZJUUUORDSA-N -1 0 311.338 -0.811 20 0 DBADRM CN1C(=O)CSC1=CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001606191431 1018721624 /nfs/dbraw/zinc/72/16/24/1018721624.db2.gz MBEGCMYYAIVYSI-FXRNNKGPSA-N -1 0 310.335 -0.432 20 0 DBADRM CN1C(=O)CN(CC(=O)NC(C)(C)c2cc(C(=O)[O-])on2)C1=O ZINC001606189505 1018721722 /nfs/dbraw/zinc/72/17/22/1018721722.db2.gz NWBNBCRPBMVWGT-UHFFFAOYSA-N -1 0 324.293 -0.382 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC001606105608 1018723126 /nfs/dbraw/zinc/72/31/26/1018723126.db2.gz LDYMRRPINOAHFN-SNVBAGLBSA-N -1 0 320.367 -0.682 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCOC[C@H]1C[C@@H]1CCOC1 ZINC001606190363 1018723853 /nfs/dbraw/zinc/72/38/53/1018723853.db2.gz RZDUDKHMNXOXTI-WDEREUQCSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC001606190242 1018724300 /nfs/dbraw/zinc/72/43/00/1018724300.db2.gz GYAQLWPFWKESBM-SECBINFHSA-N -1 0 324.312 -0.494 20 0 DBADRM CN1C[C@@H](C(=O)N[C@](C)(CO)C(=O)[O-])c2ccccc2C1=O ZINC001606197993 1018725288 /nfs/dbraw/zinc/72/52/88/1018725288.db2.gz PUHTZGFSTIAJSD-IAQYHMDHSA-N -1 0 306.318 -0.192 20 0 DBADRM Cn1c(Cl)ncc1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001606198849 1018725446 /nfs/dbraw/zinc/72/54/46/1018725446.db2.gz AKDYUXJJJRBKDL-SSDOTTSWSA-N -1 0 300.702 -0.559 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@H]2C[C@]2(C)Br)CC1=O ZINC001606198167 1018726939 /nfs/dbraw/zinc/72/69/39/1018726939.db2.gz ROOMMFGAAHPLIQ-AMXGMDGSSA-N -1 0 319.155 -0.086 20 0 DBADRM Cc1nn(C)cc1NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001606115229 1018726819 /nfs/dbraw/zinc/72/68/19/1018726819.db2.gz OPMZZURPWBTCII-ZETCQYMHSA-N -1 0 302.302 -0.300 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)CCC(=O)c2ccccn2)CC1=O ZINC001606198724 1018726984 /nfs/dbraw/zinc/72/69/84/1018726984.db2.gz YXUYPVVLGVKRHW-NSHDSACASA-N -1 0 319.317 -0.202 20 0 DBADRM Cc1nnc(COC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1C ZINC001606120273 1018727393 /nfs/dbraw/zinc/72/73/93/1018727393.db2.gz KAAJHBCZIZZSPL-ZCFIWIBFSA-N -1 0 318.301 -0.800 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)CSc2ccncc2)CC1=O ZINC001606199686 1018727344 /nfs/dbraw/zinc/72/73/44/1018727344.db2.gz HWBAYVYSFUAOOG-JTQLQIEISA-N -1 0 309.347 -0.073 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc3cc[nH]c3n2)CC1=O ZINC001606199516 1018727391 /nfs/dbraw/zinc/72/73/91/1018727391.db2.gz GVUFFSIMLPWWGF-SNVBAGLBSA-N -1 0 302.290 -0.070 20 0 DBADRM Cc1nn(CCOc2ccc(F)nc2-c2nnn[n-]2)c(=O)o1 ZINC001606114349 1018728491 /nfs/dbraw/zinc/72/84/91/1018728491.db2.gz KZWHQDULVSBFCH-UHFFFAOYSA-N -1 0 307.245 -0.062 20 0 DBADRM Cn1c(=O)[nH]c(N2CC[C@H]2C(C)(C)C)c(-c2nnn[n-]2)c1=O ZINC001606202203 1018729430 /nfs/dbraw/zinc/72/94/30/1018729430.db2.gz LYLXZWNIPCGHBK-ZETCQYMHSA-N -1 0 305.342 -0.122 20 0 DBADRM CN(CCN(C)c1ccnc(C(=O)[O-])n1)C(=O)c1cnon1 ZINC001606126436 1018730850 /nfs/dbraw/zinc/73/08/50/1018730850.db2.gz CKDABTVPSGHVOW-UHFFFAOYSA-N -1 0 306.282 -0.234 20 0 DBADRM CN(CCNC(=O)Cc1ccn(C)n1)c1ncc(C(=O)[O-])cn1 ZINC001606129958 1018730924 /nfs/dbraw/zinc/73/09/24/1018730924.db2.gz WFIGNMDPDNZTDJ-UHFFFAOYSA-N -1 0 318.337 -0.297 20 0 DBADRM CN1C[C@H](NC(=O)N2CCSC[C@H](C(=O)[O-])C2)CC1=O ZINC001606201937 1018731290 /nfs/dbraw/zinc/73/12/90/1018731290.db2.gz CWKQLAWYHNPNPA-RKDXNWHRSA-N -1 0 301.368 -0.324 20 0 DBADRM Cn1c(=O)[nH]c(N2CC(C3CCCC3)C2)c(-c2nnn[n-]2)c1=O ZINC001606202455 1018731678 /nfs/dbraw/zinc/73/16/78/1018731678.db2.gz MKHNXVUJJLDQPY-UHFFFAOYSA-N -1 0 317.353 -0.120 20 0 DBADRM CN1C[C@H](NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CC1=O ZINC001606202567 1018731981 /nfs/dbraw/zinc/73/19/81/1018731981.db2.gz IFWJQFYAJJZZKG-AMIZOPFISA-N -1 0 310.310 -0.768 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1C(=O)[O-] ZINC001606203404 1018732082 /nfs/dbraw/zinc/73/20/82/1018732082.db2.gz SUJNHTDGIIAXIZ-MRVPVSSYSA-N -1 0 322.321 -0.601 20 0 DBADRM CN(CCN(C)c1ncc(C(=O)[O-])cn1)C(=O)[C@H]1COCCO1 ZINC001606127036 1018732311 /nfs/dbraw/zinc/73/23/11/1018732311.db2.gz RFCWYZVZJDZQBY-LLVKDONJSA-N -1 0 324.337 -0.515 20 0 DBADRM CN1C[C@@H](OC(=O)CCCN2C(=O)CCC2=O)C[C@@H]1C(=O)[O-] ZINC001606204833 1018732336 /nfs/dbraw/zinc/73/23/36/1018732336.db2.gz IZNLAQJJNVUIGJ-VHSXEESVSA-N -1 0 312.322 -0.384 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(S(=O)(=O)CCC2CCC2)CC1=O ZINC001606202693 1018732389 /nfs/dbraw/zinc/73/23/89/1018732389.db2.gz IUBNKQGWMMKOMC-SNVBAGLBSA-N -1 0 304.368 -0.266 20 0 DBADRM CN(CCCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H]1COCCO1 ZINC001606122328 1018732539 /nfs/dbraw/zinc/73/25/39/1018732539.db2.gz GPHPSANHDWDZGU-LLVKDONJSA-N -1 0 324.337 -0.149 20 0 DBADRM CN(CCCNC(=O)[C@@H]1CCNC1=O)c1ncc(C(=O)[O-])cn1 ZINC001606122003 1018733304 /nfs/dbraw/zinc/73/33/04/1018733304.db2.gz DEBCSDWMFSAQEU-JTQLQIEISA-N -1 0 321.337 -0.747 20 0 DBADRM CN1C[C@H](OC(=O)[C@H]2CCCCS2(=O)=O)C[C@@H]1C(=O)[O-] ZINC001606206820 1018733716 /nfs/dbraw/zinc/73/37/16/1018733716.db2.gz ZDNXQUISCUDIIL-OPRDCNLKSA-N -1 0 305.352 -0.346 20 0 DBADRM Cc1noc(C)c1CCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001606130185 1018734214 /nfs/dbraw/zinc/73/42/14/1018734214.db2.gz MGWSDOAEVORKQX-UHFFFAOYSA-N -1 0 317.313 -0.578 20 0 DBADRM O=C([O-])CCc1cccc(NC(=O)NCC(=O)NCCO)c1 ZINC001606210751 1018735218 /nfs/dbraw/zinc/73/52/18/1018735218.db2.gz XVDINOFBQCKIQT-UHFFFAOYSA-N -1 0 309.322 -0.066 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@H]2CCCS2)c(-c2nnn[n-]2)c1=O ZINC001606205866 1018735550 /nfs/dbraw/zinc/73/55/50/1018735550.db2.gz KMZSFWKWSHMXGD-ZCFIWIBFSA-N -1 0 309.355 -0.027 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1cnc[nH]c1=O ZINC001606132777 1018735992 /nfs/dbraw/zinc/73/59/92/1018735992.db2.gz DTEZWXBFLGBAOC-UHFFFAOYSA-N -1 0 318.293 -0.724 20 0 DBADRM Cc1noc(C[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)n1 ZINC001606133251 1018736668 /nfs/dbraw/zinc/73/66/68/1018736668.db2.gz CAHWTKBTIFCSEA-UHFFFAOYSA-N -1 0 311.283 -0.370 20 0 DBADRM CN(CCO)CCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001606134038 1018736735 /nfs/dbraw/zinc/73/67/35/1018736735.db2.gz KHZJKFFWULYWRD-UHFFFAOYSA-N -1 0 316.379 -0.484 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cn1)S(=O)(=O)N1CCOCC1 ZINC001606155248 1018739667 /nfs/dbraw/zinc/73/96/67/1018739667.db2.gz CJYYRRHXUJQLLI-UHFFFAOYSA-N -1 0 315.351 -0.211 20 0 DBADRM CN(CCc1cn(CC(=O)[O-])nn1)[C@H]1CCS(=O)(=O)C1 ZINC001606140993 1018740485 /nfs/dbraw/zinc/74/04/85/1018740485.db2.gz KWHOOYPZGOGDCR-JTQLQIEISA-N -1 0 302.356 -0.976 20 0 DBADRM CN(CCn1cnnc1)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001606142512 1018740769 /nfs/dbraw/zinc/74/07/69/1018740769.db2.gz AAUWWMBTNUGEIA-UHFFFAOYSA-N -1 0 302.356 -0.205 20 0 DBADRM CN(CCn1cccn1)C(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001606141194 1018741713 /nfs/dbraw/zinc/74/17/13/1018741713.db2.gz ILIBIHMIKFLSET-NSHDSACASA-N -1 0 308.338 -0.193 20 0 DBADRM Cn1c(C(=O)[N-]S(=O)(=O)CC(F)F)ccc1-c1nn[nH]n1 ZINC001606213004 1018743244 /nfs/dbraw/zinc/74/32/44/1018743244.db2.gz AXXLXTGVZKFNKM-UHFFFAOYSA-N -1 0 320.281 -0.470 20 0 DBADRM CN(CCNC(=O)[C@H]1CCN(C)C1=O)c1ccnc(C(=O)[O-])n1 ZINC001606211782 1018743404 /nfs/dbraw/zinc/74/34/04/1018743404.db2.gz AUKVJMSVJDGMCW-SECBINFHSA-N -1 0 321.337 -0.795 20 0 DBADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=S)NCC(N)=O ZINC001606161035 1018744103 /nfs/dbraw/zinc/74/41/03/1018744103.db2.gz MCJUSFRUAKHMCE-UHFFFAOYSA-N -1 0 311.363 -0.058 20 0 DBADRM CN(Cc1cn(CC(=O)[O-])nn1)Cc1ncnn1CC(F)F ZINC001606172604 1018744975 /nfs/dbraw/zinc/74/49/75/1018744975.db2.gz MCFYFPSHJPGCED-UHFFFAOYSA-N -1 0 315.284 -0.149 20 0 DBADRM O=C([O-])CCCNC(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001606178074 1018745212 /nfs/dbraw/zinc/74/52/12/1018745212.db2.gz PJYYTRMUUSASBA-SNVBAGLBSA-N -1 0 313.354 -0.476 20 0 DBADRM CN(C)c1ncc(CN(C)C(=O)NCCOCC(=O)[O-])cn1 ZINC001606173126 1018745946 /nfs/dbraw/zinc/74/59/46/1018745946.db2.gz MOMLRTMGCCETAW-UHFFFAOYSA-N -1 0 311.342 -0.215 20 0 DBADRM CN1CC[C@@H](NS(=O)(=O)c2occc2C(=O)[O-])CC1=O ZINC001606218783 1018746708 /nfs/dbraw/zinc/74/67/08/1018746708.db2.gz CHJWDJVVQDYZSZ-SSDOTTSWSA-N -1 0 302.308 -0.123 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCc2ccoc2)n(C)c1=O ZINC001606218884 1018747328 /nfs/dbraw/zinc/74/73/28/1018747328.db2.gz XPWCNQHGHUNKLT-UHFFFAOYSA-N -1 0 303.282 -0.531 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@@H]2C(C)(C)C)n(C)c1=O ZINC001606217134 1018747438 /nfs/dbraw/zinc/74/74/38/1018747438.db2.gz CCZJDFIWOJWXCU-MRVPVSSYSA-N -1 0 319.369 -0.111 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCC2=CCOCC2)n(C)c1=O ZINC001606218605 1018748323 /nfs/dbraw/zinc/74/83/23/1018748323.db2.gz SLCHQEMKWHDRCO-UHFFFAOYSA-N -1 0 319.325 -0.977 20 0 DBADRM O=C([O-])CN(CC1CC1)C(=O)CCN1C(=O)CCNC1=S ZINC001606227775 1018754609 /nfs/dbraw/zinc/75/46/09/1018754609.db2.gz WXWRURAEOQWQKH-UHFFFAOYSA-N -1 0 313.379 -0.194 20 0 DBADRM O=C([O-])CN1CC[C@@H](N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC001606232436 1018756257 /nfs/dbraw/zinc/75/62/57/1018756257.db2.gz VJNQRPGFLBRMBQ-WDEREUQCSA-N -1 0 316.379 -0.677 20 0 DBADRM O=C([O-])CN1CC[C@@H](N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC001606232428 1018756901 /nfs/dbraw/zinc/75/69/01/1018756901.db2.gz VJNQRPGFLBRMBQ-GHMZBOCLSA-N -1 0 316.379 -0.677 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC[C@@](CO)(C(F)(F)F)C2)C1=O ZINC001606231147 1018758003 /nfs/dbraw/zinc/75/80/03/1018758003.db2.gz DYWGSKMASDLLKO-GZMMTYOYSA-N -1 0 310.272 -0.081 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)c1ccc(C(=O)[O-])o1 ZINC001606233132 1018763020 /nfs/dbraw/zinc/76/30/20/1018763020.db2.gz HJLVBQSSCOOQRY-UHFFFAOYSA-N -1 0 309.322 -0.176 20 0 DBADRM CN1CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)[C@H](CO)C1 ZINC001606234606 1018764134 /nfs/dbraw/zinc/76/41/34/1018764134.db2.gz PLTCYUOEJOSGBJ-SDDRHHMPSA-N -1 0 300.355 -0.466 20 0 DBADRM Cn1cc(CCNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)cn1 ZINC001606237104 1018769534 /nfs/dbraw/zinc/76/95/34/1018769534.db2.gz MZCLRNCMUZIKLM-UHFFFAOYSA-N -1 0 317.313 -0.946 20 0 DBADRM CN1CCN(C)[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001606238335 1018771837 /nfs/dbraw/zinc/77/18/37/1018771837.db2.gz VYSKTOKJUDEUEM-JTQLQIEISA-N -1 0 317.367 -0.498 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC[C@@H]3OCC[C@@H]3C2)C1=O ZINC001606248755 1018775657 /nfs/dbraw/zinc/77/56/57/1018775657.db2.gz BPCNOICQKGXNRH-UTUOFQBUSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)CCCn2ccccc2=O)C1=O ZINC001606247047 1018776753 /nfs/dbraw/zinc/77/67/53/1018776753.db2.gz CTAQWOHYTZWLAL-NSHDSACASA-N -1 0 322.317 -0.143 20 0 DBADRM CN1CCOC[C@@H]1CNS(=O)(=O)CCCCCC(=O)[O-] ZINC001606248997 1018777934 /nfs/dbraw/zinc/77/79/34/1018777934.db2.gz FLLVGKNFEHEGRP-NSHDSACASA-N -1 0 308.400 -0.119 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N2CCC[C@](C)(C(=O)[O-])C2)C1 ZINC001606251161 1018778529 /nfs/dbraw/zinc/77/85/29/1018778529.db2.gz UGIMFQBUROVUBH-AAEUAGOBSA-N -1 0 320.411 -0.167 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCCCCCCO)C1=O ZINC001606250085 1018778929 /nfs/dbraw/zinc/77/89/29/1018778929.db2.gz IYEYRWKZECWSSW-NSHDSACASA-N -1 0 300.355 -0.022 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@H]2COCCN2C)cc1C(=O)[O-] ZINC001606250205 1018779462 /nfs/dbraw/zinc/77/94/62/1018779462.db2.gz NXROYJQYWFCPEL-JTQLQIEISA-N -1 0 324.337 -0.891 20 0 DBADRM CN1CCOC[C@H]1CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001606250211 1018779816 /nfs/dbraw/zinc/77/98/16/1018779816.db2.gz OEBPMWWQVBFQPN-SECBINFHSA-N -1 0 315.351 -0.611 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NC[C@H]2CCCC[C@@H]2O)C1=O ZINC001606250348 1018780131 /nfs/dbraw/zinc/78/01/31/1018780131.db2.gz KRLWVLQEUQJOFK-UTUOFQBUSA-N -1 0 312.366 -0.023 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N2CCC[C@](C)(C(=O)[O-])C2)C1 ZINC001606251164 1018780817 /nfs/dbraw/zinc/78/08/17/1018780817.db2.gz UGIMFQBUROVUBH-YPMHNXCESA-N -1 0 320.411 -0.167 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCn3nccc3C2)C1=O ZINC001606252553 1018780948 /nfs/dbraw/zinc/78/09/48/1018780948.db2.gz ZTRXJMKWHOZKKC-LLVKDONJSA-N -1 0 306.322 -0.452 20 0 DBADRM CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001606251591 1018780997 /nfs/dbraw/zinc/78/09/97/1018780997.db2.gz WWNGDNQHKDXKRI-AXFHLTTASA-N -1 0 306.384 -0.558 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)N[C@H]2CCOC2=O)C1=O ZINC001606255812 1018783180 /nfs/dbraw/zinc/78/31/80/1018783180.db2.gz RUNUCHINTUDAFM-BDAKNGLRSA-N -1 0 313.310 -0.933 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001606258923 1018783608 /nfs/dbraw/zinc/78/36/08/1018783608.db2.gz JEMBEJBDOXGOHO-VIFPVBQESA-N -1 0 316.321 -0.128 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCc2csc(=O)[nH]2)C1=O ZINC001606253921 1018783676 /nfs/dbraw/zinc/78/36/76/1018783676.db2.gz ZUZHDFRIAYQYJR-QMMMGPOBSA-N -1 0 313.335 -0.212 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)N2CCC[C@@H]2CO)C1=O ZINC001606258531 1018783737 /nfs/dbraw/zinc/78/37/37/1018783737.db2.gz WLVCZWKJFDRTPB-GHMZBOCLSA-N -1 0 313.354 -0.382 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001606258625 1018784145 /nfs/dbraw/zinc/78/41/45/1018784145.db2.gz GFNKRFSSKMYQOE-RITPCOANSA-N -1 0 321.259 -0.267 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCc2nncn2C2CC2)C1=O ZINC001606253113 1018784177 /nfs/dbraw/zinc/78/41/77/1018784177.db2.gz JHPQVZNTBNFHPB-SNVBAGLBSA-N -1 0 321.337 -0.448 20 0 DBADRM CNC(=O)[C@H](O)CNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001606261181 1018785218 /nfs/dbraw/zinc/78/52/18/1018785218.db2.gz GEUQCJXLMSSZBN-SECBINFHSA-N -1 0 300.698 -0.125 20 0 DBADRM CNC(=O)C(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606259902 1018786079 /nfs/dbraw/zinc/78/60/79/1018786079.db2.gz PKWFEJLBRFIAKW-UHFFFAOYSA-N -1 0 304.328 -0.842 20 0 DBADRM CNC(=O)[C@@H]1CCCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001606261717 1018786275 /nfs/dbraw/zinc/78/62/75/1018786275.db2.gz DJKYDCVLSRIQHZ-SNVBAGLBSA-N -1 0 321.333 -0.469 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001606259135 1018787109 /nfs/dbraw/zinc/78/71/09/1018787109.db2.gz LXQSRJUACFLILX-KRTXAFLBSA-N -1 0 311.367 -0.713 20 0 DBADRM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001606262715 1018787214 /nfs/dbraw/zinc/78/72/14/1018787214.db2.gz BONYHZRXARUIAG-ONGXEEELSA-N -1 0 321.333 -0.423 20 0 DBADRM CNC(=O)[C@H](C)CN(C)C(=O)COCc1ocnc1C(=O)[O-] ZINC001606259543 1018788112 /nfs/dbraw/zinc/78/81/12/1018788112.db2.gz IPAYLGNRXMALGJ-MRVPVSSYSA-N -1 0 313.310 -0.270 20 0 DBADRM CNC(=O)CCNC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001606267107 1018789201 /nfs/dbraw/zinc/78/92/01/1018789201.db2.gz NYTRBWGFWKMUQQ-OPASDULOSA-N -1 0 313.354 -0.166 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001606267300 1018790116 /nfs/dbraw/zinc/79/01/16/1018790116.db2.gz XWOYIOBULZXFKH-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC001606265332 1018790450 /nfs/dbraw/zinc/79/04/50/1018790450.db2.gz WQWYPBUJAPYUNH-VIFPVBQESA-N -1 0 312.322 -0.479 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CCO1 ZINC001606266693 1018790872 /nfs/dbraw/zinc/79/08/72/1018790872.db2.gz ZDNXNVIBLDGIAQ-AXFHLTTASA-N -1 0 313.354 -0.214 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1COc2ccc(O)cc2O1 ZINC001606265349 1018792515 /nfs/dbraw/zinc/79/25/15/1018792515.db2.gz ZCFWFWQXPDRWGO-JTQLQIEISA-N -1 0 311.246 -0.724 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@@]2(C)C=CCC2)c1[O-] ZINC001501488744 1018792973 /nfs/dbraw/zinc/79/29/73/1018792973.db2.gz BAOOQMCIRALDOM-BMIGLBTASA-N -1 0 322.365 -0.013 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@@]2(C)C=CCC2)c1[O-] ZINC001501488745 1018793928 /nfs/dbraw/zinc/79/39/28/1018793928.db2.gz BAOOQMCIRALDOM-BONVTDFDSA-N -1 0 322.365 -0.013 20 0 DBADRM CNC(=O)CN1CC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])CC2 ZINC001606271561 1018795281 /nfs/dbraw/zinc/79/52/81/1018795281.db2.gz VORNLXFQSSARDD-WDEREUQCSA-N -1 0 309.366 -0.623 20 0 DBADRM O=C([O-])COCC(=O)NCCN1Cc2ccccc2OCC1=O ZINC001606273150 1018798175 /nfs/dbraw/zinc/79/81/75/1018798175.db2.gz XNOHNIJVUCTPLF-UHFFFAOYSA-N -1 0 322.317 -0.375 20 0 DBADRM CNC(=O)CN1CCN(C(=O)Nc2c(C(=O)[O-])cnn2C)CC1 ZINC001606270583 1018798344 /nfs/dbraw/zinc/79/83/44/1018798344.db2.gz HXOSWYVOYYXJJL-UHFFFAOYSA-N -1 0 324.341 -0.986 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)NC[C@H](O)CC(=O)[O-])cc1 ZINC001606274998 1018799595 /nfs/dbraw/zinc/79/95/95/1018799595.db2.gz CXEAIVBRXBAJPS-LLVKDONJSA-N -1 0 309.322 -0.068 20 0 DBADRM CNC(=O)COc1cccc(CC(=O)NC[C@H](F)C(=O)[O-])c1 ZINC001606275396 1018799906 /nfs/dbraw/zinc/79/99/06/1018799906.db2.gz OLKCFPJMIJRRJK-NSHDSACASA-N -1 0 312.297 -0.107 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC001606279461 1018800305 /nfs/dbraw/zinc/80/03/05/1018800305.db2.gz REODACMMLGQKGO-ZJNREGCTSA-N -1 0 304.368 -0.217 20 0 DBADRM Cn1ncc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1C1CC1 ZINC001606276682 1018800411 /nfs/dbraw/zinc/80/04/11/1018800411.db2.gz YOWFDXLPWFDTNB-UHFFFAOYSA-N -1 0 314.313 -0.292 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cn1 ZINC001606277486 1018800486 /nfs/dbraw/zinc/80/04/86/1018800486.db2.gz NQVKRXCMFXSIMF-SCZZXKLOSA-N -1 0 309.326 -0.044 20 0 DBADRM CNC(=O)N1CCN(C(=O)Cc2ccc(C(=O)[O-])nc2)CC1 ZINC001606278066 1018800557 /nfs/dbraw/zinc/80/05/57/1018800557.db2.gz KSNSAHDXQNPYAO-UHFFFAOYSA-N -1 0 306.322 -0.194 20 0 DBADRM O=C([O-])COCCOCCNC(=O)[C@H]1CCn2cncc2C1 ZINC001606278823 1018800816 /nfs/dbraw/zinc/80/08/16/1018800816.db2.gz GPHMFXWLAIRHLB-NSHDSACASA-N -1 0 311.338 -0.321 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CCO1 ZINC001606281520 1018801510 /nfs/dbraw/zinc/80/15/10/1018801510.db2.gz RFSXOKRPKZLOAZ-KXUCPTDWSA-N -1 0 314.342 -0.954 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])n2C)CCO1 ZINC001606281448 1018802106 /nfs/dbraw/zinc/80/21/06/1018802106.db2.gz QPWHZHAWNWTBRJ-SECBINFHSA-N -1 0 324.337 -0.507 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001606283710 1018802179 /nfs/dbraw/zinc/80/21/79/1018802179.db2.gz IKSVHPNQZAQQAH-JGVFFNPUSA-N -1 0 309.326 -0.150 20 0 DBADRM CNC(=O)NCCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001606280250 1018802422 /nfs/dbraw/zinc/80/24/22/1018802422.db2.gz AMYJYRWKJXWMBC-UHFFFAOYSA-N -1 0 319.314 -0.269 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])c1 ZINC001606287615 1018803012 /nfs/dbraw/zinc/80/30/12/1018803012.db2.gz FUNLPYUUYXKAMP-NSHDSACASA-N -1 0 322.317 -0.008 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])n1 ZINC001606287867 1018803189 /nfs/dbraw/zinc/80/31/89/1018803189.db2.gz LUEXOBKGDLSUGY-NSHDSACASA-N -1 0 317.305 -0.410 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCC[C@@H](CO)C1 ZINC001606284923 1018803813 /nfs/dbraw/zinc/80/38/13/1018803813.db2.gz RJUZOVACXUKIJP-LLVKDONJSA-N -1 0 304.343 -0.482 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001606292719 1018804663 /nfs/dbraw/zinc/80/46/63/1018804663.db2.gz RBJYZUVPVMHZRK-IHWYPQMZSA-N -1 0 305.290 -0.888 20 0 DBADRM CNC(=O)c1cccc(C(=O)OCCn2cc(C(=O)[O-])nn2)n1 ZINC001606291030 1018805134 /nfs/dbraw/zinc/80/51/34/1018805134.db2.gz MITXOSRKGLMBHX-UHFFFAOYSA-N -1 0 319.277 -0.412 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCOC[C@H]1[C@@H]1CCCO1 ZINC001606296260 1018805631 /nfs/dbraw/zinc/80/56/31/1018805631.db2.gz ATUTZSUUYJWVBP-QWRGUYRKSA-N -1 0 307.368 -0.634 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001606301825 1018806391 /nfs/dbraw/zinc/80/63/91/1018806391.db2.gz PZWIQLYVZHEJQD-LBPRGKRZSA-N -1 0 321.399 -0.420 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CO)C(=O)[O-])cc1 ZINC001606304493 1018807735 /nfs/dbraw/zinc/80/77/35/1018807735.db2.gz LLDVTOOKMXGFPC-GFCCVEGCSA-N -1 0 316.335 -0.840 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001606303284 1018808217 /nfs/dbraw/zinc/80/82/17/1018808217.db2.gz YNXZHFPITLGPTP-VHSXEESVSA-N -1 0 322.383 -0.546 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])o1 ZINC001606304792 1018808629 /nfs/dbraw/zinc/80/86/29/1018808629.db2.gz XLDVQDANMCJIHC-RQJHMYQMSA-N -1 0 302.308 -0.219 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001606303549 1018808686 /nfs/dbraw/zinc/80/86/86/1018808686.db2.gz JFFZIJRLUCNGAQ-LDYMZIIASA-N -1 0 307.372 -0.810 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H](C(=O)[O-])c1ccn(C)n1 ZINC001606321381 1018809427 /nfs/dbraw/zinc/80/94/27/1018809427.db2.gz IHEVXSLJXKIQID-APPZFPTMSA-N -1 0 319.339 -0.726 20 0 DBADRM COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606320116 1018809454 /nfs/dbraw/zinc/80/94/54/1018809454.db2.gz DODXDAJJIQGUOS-ZANVPECISA-N -1 0 312.326 -0.463 20 0 DBADRM COC(=O)[C@@](C)(CO)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001606318262 1018809495 /nfs/dbraw/zinc/80/94/95/1018809495.db2.gz JJYCALQMHRSPCX-SNVBAGLBSA-N -1 0 307.280 -0.820 20 0 DBADRM COC(=O)[C@@](C)(CO)NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001606317800 1018809562 /nfs/dbraw/zinc/80/95/62/1018809562.db2.gz DEKXXSWWQJALSJ-CQSZACIVSA-N -1 0 310.306 -0.163 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)NCc1nc(C(=O)[O-])co1 ZINC001606321582 1018809733 /nfs/dbraw/zinc/80/97/33/1018809733.db2.gz NUSBFRXEFCWIMG-LURJTMIESA-N -1 0 306.296 -0.399 20 0 DBADRM COC(=O)[C@@](C)(CCF)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001606318232 1018810087 /nfs/dbraw/zinc/81/00/87/1018810087.db2.gz IYPIJFFNGGMYOI-GFCCVEGCSA-N -1 0 301.274 -0.011 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001606315789 1018810097 /nfs/dbraw/zinc/81/00/97/1018810097.db2.gz LEPAOMODYBWTOZ-RKDXNWHRSA-N -1 0 323.367 -0.717 20 0 DBADRM COC(=O)C(C)(C)CCNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001606317564 1018810117 /nfs/dbraw/zinc/81/01/17/1018810117.db2.gz VNSWTDNINZSARA-UHFFFAOYSA-N -1 0 319.339 -0.025 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)/C=C/CN1CCOCC1 ZINC001606324094 1018810287 /nfs/dbraw/zinc/81/02/87/1018810287.db2.gz UGQFOLMJINEPCK-PBKGFPTLSA-N -1 0 300.311 -0.993 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1c[nH]nc1Cl ZINC001606326564 1018810844 /nfs/dbraw/zinc/81/08/44/1018810844.db2.gz XYNRHAYJOLJGLU-SCSAIBSYSA-N -1 0 311.703 -0.642 20 0 DBADRM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001606325146 1018811520 /nfs/dbraw/zinc/81/15/20/1018811520.db2.gz IRIRWMBORFZTNP-ZCFIWIBFSA-N -1 0 318.298 -0.576 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccccc1N ZINC001606325279 1018811574 /nfs/dbraw/zinc/81/15/74/1018811574.db2.gz JMWVUBTWTZEGPL-QMMMGPOBSA-N -1 0 302.308 -0.437 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)n1 ZINC001606341004 1018812611 /nfs/dbraw/zinc/81/26/11/1018812611.db2.gz LSAXBTGQMNHRAH-YGOYTEALSA-N -1 0 322.321 -0.722 20 0 DBADRM COC(=O)[C@@H](Cn1ccnc1)NC(=O)c1ccc(C(=O)[O-])n1C ZINC001606332006 1018812920 /nfs/dbraw/zinc/81/29/20/1018812920.db2.gz AUJKJLNAVXYHDI-SECBINFHSA-N -1 0 320.305 -0.109 20 0 DBADRM COC(=O)C1(NC(=O)C[C@H]2CC(=O)N2)CCC(C(=O)[O-])CC1 ZINC001606352483 1018814430 /nfs/dbraw/zinc/81/44/30/1018814430.db2.gz BPPZFJYPHOMRDX-ZYTOWTHASA-N -1 0 312.322 -0.432 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001606351680 1018814452 /nfs/dbraw/zinc/81/44/52/1018814452.db2.gz IBOFEQMLRNTIEJ-RKDXNWHRSA-N -1 0 321.351 -0.651 20 0 DBADRM COC(=O)C1(NC(=O)CCSCC(=O)[O-])CC(CO)C1 ZINC001606352649 1018814743 /nfs/dbraw/zinc/81/47/43/1018814743.db2.gz DVYSYMFUEOTKMN-UHFFFAOYSA-N -1 0 305.352 -0.375 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)CCC1 ZINC001606352093 1018814793 /nfs/dbraw/zinc/81/47/93/1018814793.db2.gz UNHTXFZSIMWRPM-LBPRGKRZSA-N -1 0 321.351 -0.819 20 0 DBADRM COC(=O)C1(NC(=O)Cc2ccc(C(=O)[O-])nc2)CC(CO)C1 ZINC001606352346 1018814824 /nfs/dbraw/zinc/81/48/24/1018814824.db2.gz GUOJQRHXCUAXIG-UHFFFAOYSA-N -1 0 322.317 -0.247 20 0 DBADRM COC(=O)[C@@]1(O)CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC001606356734 1018815447 /nfs/dbraw/zinc/81/54/47/1018815447.db2.gz JIDDWLVENVTBHY-GFCCVEGCSA-N -1 0 321.351 -0.819 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCCOC(=O)C2CC2)c1=O ZINC001606355062 1018816263 /nfs/dbraw/zinc/81/62/63/1018816263.db2.gz CPAXJFUITIEJOR-UHFFFAOYSA-N -1 0 308.290 -0.384 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@H](CO)[C@H]2CCOC2)c1=O ZINC001606355315 1018816559 /nfs/dbraw/zinc/81/65/59/1018816559.db2.gz OSMBDGNOGCXLPU-ONGXEEELSA-N -1 0 310.306 -0.940 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@H](CO)c2cccnc2)c1=O ZINC001606355344 1018816670 /nfs/dbraw/zinc/81/66/70/1018816670.db2.gz PSADECLZWPPWSA-LBPRGKRZSA-N -1 0 317.301 -0.209 20 0 DBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc(C(=O)[O-])n1C ZINC001606370565 1018817330 /nfs/dbraw/zinc/81/73/30/1018817330.db2.gz KTWAFKFQTDPQPG-QWRGUYRKSA-N -1 0 310.306 -0.138 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001606368947 1018817706 /nfs/dbraw/zinc/81/77/06/1018817706.db2.gz AEXSJXLMLDDATE-XVKPBYJWSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCCn1cncn1 ZINC001606371553 1018817791 /nfs/dbraw/zinc/81/77/91/1018817791.db2.gz TYAYARAAXDPNAP-WDEREUQCSA-N -1 0 324.337 -0.077 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCc1cn[nH]n1 ZINC001606371741 1018817951 /nfs/dbraw/zinc/81/79/51/1018817951.db2.gz UMLHQXJFCJBZJE-WCBMZHEXSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1CCCC(=O)N1 ZINC001606383075 1018819064 /nfs/dbraw/zinc/81/90/64/1018819064.db2.gz BCKFQPSJKXJKPB-IVZWLZJFSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCCC(N)=O ZINC001606383746 1018819068 /nfs/dbraw/zinc/81/90/68/1018819068.db2.gz JNSHXLFLBHONTE-UWVGGRQHSA-N -1 0 314.338 -0.103 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001606376305 1018819427 /nfs/dbraw/zinc/81/94/27/1018819427.db2.gz HTQSRBJFSPBUCQ-NWDGAFQWSA-N -1 0 322.317 -0.069 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CN(C)C(C)=O ZINC001606383852 1018819790 /nfs/dbraw/zinc/81/97/90/1018819790.db2.gz KYDLLHACOFOOLQ-ZJUUUORDSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001606388351 1018820346 /nfs/dbraw/zinc/82/03/46/1018820346.db2.gz MSNOYBFMDUIMQH-OPRDCNLKSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc[n+]([O-])cc1 ZINC001606385365 1018820353 /nfs/dbraw/zinc/82/03/53/1018820353.db2.gz ILNBHEYCOFITMP-QWRGUYRKSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cnncc1O ZINC001606386002 1018820428 /nfs/dbraw/zinc/82/04/28/1018820428.db2.gz MGPPESDLYXUOAO-VXNVDRBHSA-N -1 0 309.278 -0.339 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCC1(CO)CCC1 ZINC001606387981 1018820484 /nfs/dbraw/zinc/82/04/84/1018820484.db2.gz CUSTVYJMZCIENW-JTQLQIEISA-N -1 0 306.384 -0.078 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC[C@H](O)C(F)(F)C1 ZINC001606387959 1018820560 /nfs/dbraw/zinc/82/05/60/1018820560.db2.gz BMOOSQTZZUKPEQ-YUMQZZPRSA-N -1 0 314.310 -0.518 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCn1ccnn1 ZINC001606385595 1018821185 /nfs/dbraw/zinc/82/11/85/1018821185.db2.gz USZGQOAGCAEIMF-ZJUUUORDSA-N -1 0 310.310 -0.467 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCO[C@@H](C(F)F)C1 ZINC001606389020 1018821290 /nfs/dbraw/zinc/82/12/90/1018821290.db2.gz WQQJIJOBELUGJR-JGVFFNPUSA-N -1 0 314.310 -0.254 20 0 DBADRM COC(=O)C1CCC(NC(=O)c2nccnc2N)(C(=O)[O-])CC1 ZINC001606396849 1018822725 /nfs/dbraw/zinc/82/27/25/1018822725.db2.gz QRNFBBRVCMVNLS-UHFFFAOYSA-N -1 0 322.321 -0.025 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2ccnn2C)C1 ZINC001606392939 1018823438 /nfs/dbraw/zinc/82/34/38/1018823438.db2.gz QWLXOGORPSPVAC-ONGXEEELSA-N -1 0 309.322 -0.173 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC001606401332 1018823771 /nfs/dbraw/zinc/82/37/71/1018823771.db2.gz CQZGFQXMXGMJME-YWVKMMECSA-N -1 0 316.379 -0.078 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCn2ccnn2)[C@@H](C(=O)[O-])C1 ZINC001606402691 1018823832 /nfs/dbraw/zinc/82/38/32/1018823832.db2.gz GAVNNWHIQBBGJA-VHSXEESVSA-N -1 0 310.310 -0.467 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H](O)c2cccnc2)[C@H](C(=O)[O-])C1 ZINC001606403241 1018824491 /nfs/dbraw/zinc/82/44/91/1018824491.db2.gz GCZDDWFCTRRSOE-ADEWGFFLSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCCn2cncn2)[C@H](C(=O)[O-])C1 ZINC001606402306 1018824832 /nfs/dbraw/zinc/82/48/32/1018824832.db2.gz BRIQIFGTWGCWAA-QWRGUYRKSA-N -1 0 324.337 -0.077 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CN2CCOC2=O)[C@H](C(=O)[O-])C1 ZINC001606402451 1018824926 /nfs/dbraw/zinc/82/49/26/1018824926.db2.gz DHKZUNNVWPREBT-IUCAKERBSA-N -1 0 314.294 -0.697 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cc(=O)[nH]cn2)[C@H](C(=O)[O-])C1 ZINC001606407673 1018825622 /nfs/dbraw/zinc/82/56/22/1018825622.db2.gz SKJMKYQLSZQZMB-CBAPKCEASA-N -1 0 309.278 -0.339 20 0 DBADRM NC(=O)[C@H]1CC[C@@H]1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001606410002 1018825630 /nfs/dbraw/zinc/82/56/30/1018825630.db2.gz OHRVUFUKNFQISJ-UWVGGRQHSA-N -1 0 302.294 -0.212 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCC1(OCCO)CCOCC1 ZINC001606407743 1018826977 /nfs/dbraw/zinc/82/69/77/1018826977.db2.gz JGRTYNLBDATBRJ-GHMZBOCLSA-N -1 0 301.339 -0.229 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)/C=C(\C)C(=O)N1CC[C@@H]1C(=O)[O-] ZINC001606415406 1018828620 /nfs/dbraw/zinc/82/86/20/1018828620.db2.gz FPEQNCQETVEBKS-PSFRMBJNSA-N -1 0 310.306 -0.608 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)/C=C/c2cn(C)cn2)C[C@@H]1C(=O)[O-] ZINC001606415931 1018829305 /nfs/dbraw/zinc/82/93/05/1018829305.db2.gz KCQULEWLSCIZKH-MJKAUQOVSA-N -1 0 307.306 -0.235 20 0 DBADRM NC(=O)CO[N-]C(=O)C(F)(F)c1ccccc1-c1nn[nH]n1 ZINC001606417032 1018829460 /nfs/dbraw/zinc/82/94/60/1018829460.db2.gz KWEPQGRAGOJUGE-UHFFFAOYSA-N -1 0 312.236 -0.508 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@@H]1C(=O)[O-] ZINC001606418732 1018829514 /nfs/dbraw/zinc/82/95/14/1018829514.db2.gz NLZKGKXOLYBOQY-IUCAKERBSA-N -1 0 321.351 -0.858 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C2CCN(OC)CC2)C[C@@H]1C(=O)[O-] ZINC001606415894 1018829670 /nfs/dbraw/zinc/82/96/70/1018829670.db2.gz JTJWMLSOTQNKHW-WDEREUQCSA-N -1 0 314.338 -0.408 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N(C)C(C)C)C[C@@H]1C(=O)[O-] ZINC001606417863 1018829806 /nfs/dbraw/zinc/82/98/06/1018829806.db2.gz SUWNFYMCXAHHKK-IUCAKERBSA-N -1 0 300.311 -0.815 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CO[C@@H](C)C2)C[C@@H]1C(=O)[O-] ZINC001606417476 1018829871 /nfs/dbraw/zinc/82/98/71/1018829871.db2.gz IARGEHHKTWYOPU-AATLWQCWSA-N -1 0 300.311 -0.321 20 0 DBADRM COC(=O)[C@H]1CCN1C(=O)CCCC(=O)N1CC[C@@H]1C(=O)[O-] ZINC001606416546 1018830127 /nfs/dbraw/zinc/83/01/27/1018830127.db2.gz NMXYFOJXTRNEAK-NXEZZACHSA-N -1 0 312.322 -0.384 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H](NC(C)=O)C(C)C)C[C@@H]1C(=O)[O-] ZINC001606417574 1018830233 /nfs/dbraw/zinc/83/02/33/1018830233.db2.gz QTTQQAAETYSESU-HBNTYKKESA-N -1 0 314.338 -0.521 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2nc(C)no2)C[C@@H]1C(=O)[O-] ZINC001606419487 1018831114 /nfs/dbraw/zinc/83/11/14/1018831114.db2.gz DCJJDKLLLIZBGH-JGVFFNPUSA-N -1 0 312.282 -0.607 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1C(=O)[O-] ZINC001606422192 1018831222 /nfs/dbraw/zinc/83/12/22/1018831222.db2.gz NGICGLGSSBIEAX-RKDXNWHRSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001606419090 1018831735 /nfs/dbraw/zinc/83/17/35/1018831735.db2.gz OVSSRMZUSBHGRX-VHSXEESVSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2cn(C)cn2)C[C@H]1C(=O)[O-] ZINC001606420640 1018831838 /nfs/dbraw/zinc/83/18/38/1018831838.db2.gz IIVQBAFCBXPRHQ-NXEZZACHSA-N -1 0 310.310 -0.565 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1C(=O)[O-] ZINC001606420633 1018831870 /nfs/dbraw/zinc/83/18/70/1018831870.db2.gz IHNZGGCKEQWNDU-DYOPIPEISA-N -1 0 324.333 -0.323 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2cc(C)no2)C[C@@H]1C(=O)[O-] ZINC001606423363 1018832686 /nfs/dbraw/zinc/83/26/86/1018832686.db2.gz PXZOTUHJDJJNLE-VHSXEESVSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)C[C@@H]1C(=O)[O-] ZINC001606423629 1018832701 /nfs/dbraw/zinc/83/27/01/1018832701.db2.gz RJNMSUKVPIMBCN-FBDQPXRJSA-N -1 0 312.322 -0.179 20 0 DBADRM COC(=O)[C@@H]1CN(C)CCN(C(=O)c2cc(C(=O)[O-])on2)C1 ZINC001606425373 1018832727 /nfs/dbraw/zinc/83/27/27/1018832727.db2.gz IIHMNZLQYPBGSS-MRVPVSSYSA-N -1 0 311.294 -0.450 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1C(=O)[O-] ZINC001606425110 1018832975 /nfs/dbraw/zinc/83/29/75/1018832975.db2.gz DWGMOQAIAFXFCD-BDAKNGLRSA-N -1 0 324.289 -0.747 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1C(=O)[O-] ZINC001606423631 1018833178 /nfs/dbraw/zinc/83/31/78/1018833178.db2.gz RJNMSUKVPIMBCN-ILAIQSSSSA-N -1 0 312.322 -0.179 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2ocnc2C)C[C@@H]1C(=O)[O-] ZINC001606424875 1018833212 /nfs/dbraw/zinc/83/32/12/1018833212.db2.gz YWFQSIKNVCQZBQ-IUCAKERBSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccn3nccc3n2)C[C@@H]1C(=O)[O-] ZINC001606427685 1018834685 /nfs/dbraw/zinc/83/46/85/1018834685.db2.gz ZNOXIWDNQJEWQE-DTWKUNHWSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)C[C@@H](C)CC(=O)[O-] ZINC001606430330 1018834847 /nfs/dbraw/zinc/83/48/47/1018834847.db2.gz ADDFHHPVUGCOBW-RKDXNWHRSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@@H]1C(=O)[O-] ZINC001606426563 1018835352 /nfs/dbraw/zinc/83/53/52/1018835352.db2.gz RWZTZEPXTOACLP-JGVFFNPUSA-N -1 0 318.289 -0.096 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)CCOC(C)C)C[C@H]1C(=O)[O-] ZINC001606432427 1018836405 /nfs/dbraw/zinc/83/64/05/1018836405.db2.gz STEUICQGJHTZIC-NXEZZACHSA-N -1 0 323.367 -0.453 20 0 DBADRM COC(=O)[C@@H]1CN(c2ncnc3c2cnn3C)C[C@@H]1C(=O)[O-] ZINC001606431215 1018836927 /nfs/dbraw/zinc/83/69/27/1018836927.db2.gz IJBGPOQCGMXNKF-DTWKUNHWSA-N -1 0 305.294 -0.327 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)Nc2cccnn2)C[C@@H]1C(=O)[O-] ZINC001606430824 1018837301 /nfs/dbraw/zinc/83/73/01/1018837301.db2.gz QJCAJSAMGSACHE-IUCAKERBSA-N -1 0 308.294 -0.779 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cccc(C(=O)OC)n1)C(=O)[O-] ZINC001606442025 1018837934 /nfs/dbraw/zinc/83/79/34/1018837934.db2.gz KIWFLJGAANUAFV-VIFPVBQESA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)C[C@@H](C)CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001606439428 1018837977 /nfs/dbraw/zinc/83/79/77/1018837977.db2.gz FAXSIFFWZFWFEY-QMMMGPOBSA-N -1 0 310.310 -0.051 20 0 DBADRM NS(=O)(=O)C1CN(c2ccc(Cl)c(-c3nn[nH]n3)n2)C1 ZINC001606442083 1018838007 /nfs/dbraw/zinc/83/80/07/1018838007.db2.gz BBWUKJLADIPTNQ-UHFFFAOYSA-N -1 0 315.746 -0.608 20 0 DBADRM COC(=O)C[C@H](NC(=O)/C=C\CN1CCOCC1)C(=O)[O-] ZINC001606438191 1018838491 /nfs/dbraw/zinc/83/84/91/1018838491.db2.gz DRZRIBULCFEDMD-ZMWSMAPVSA-N -1 0 300.311 -0.993 20 0 DBADRM NS(=O)(=O)CC1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001606442172 1018838607 /nfs/dbraw/zinc/83/86/07/1018838607.db2.gz FHJKVNTYMGZEJR-UHFFFAOYSA-N -1 0 324.370 -0.838 20 0 DBADRM COC(=O)C[C@@H](C)CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001606439602 1018839173 /nfs/dbraw/zinc/83/91/73/1018839173.db2.gz FSRHBPSNQFDJKU-IUCAKERBSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N[C@@](C)(CO)C(=O)[O-])CC1 ZINC001606445753 1018839683 /nfs/dbraw/zinc/83/96/83/1018839683.db2.gz UXACILXWJHCQCH-JTQLQIEISA-N -1 0 309.340 -0.915 20 0 DBADRM COC(=O)CC1(NC(=O)Cn2cc(C(=O)[O-])nn2)CCCC1 ZINC001606445462 1018839811 /nfs/dbraw/zinc/83/98/11/1018839811.db2.gz JYHBXSVGLYOSJG-UHFFFAOYSA-N -1 0 310.310 -0.032 20 0 DBADRM COC(=O)CC1(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CC1 ZINC001606443167 1018840181 /nfs/dbraw/zinc/84/01/81/1018840181.db2.gz MSOLRTRRZAWPCX-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM COC(=O)C[C@H](O)CNS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001606442992 1018840740 /nfs/dbraw/zinc/84/07/40/1018840740.db2.gz FBEBXLDPMKMZLU-VIFPVBQESA-N -1 0 323.367 -0.525 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CCO1 ZINC001606446738 1018840971 /nfs/dbraw/zinc/84/09/71/1018840971.db2.gz FITKOGJMAFUZNQ-DTHBNOIPSA-N -1 0 315.322 -0.345 20 0 DBADRM COC(=O)CC[C@H](C(=O)[O-])N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC001606448426 1018841732 /nfs/dbraw/zinc/84/17/32/1018841732.db2.gz KMVXXDVEVCDZNB-BBBLOLIVSA-N -1 0 303.311 -0.345 20 0 DBADRM COC(=O)CCCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001606453264 1018841975 /nfs/dbraw/zinc/84/19/75/1018841975.db2.gz KERWYQOOIPBHHN-MRVPVSSYSA-N -1 0 307.324 -0.960 20 0 DBADRM COC(=O)CCN1CC[C@@H](OC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C1=O ZINC001606454426 1018842165 /nfs/dbraw/zinc/84/21/65/1018842165.db2.gz GVTURFFCKYWTQV-IVZWLZJFSA-N -1 0 313.306 -0.196 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])CCO1 ZINC001606447745 1018842260 /nfs/dbraw/zinc/84/22/60/1018842260.db2.gz YIDQQLIPLQYBIF-AEJSXWLSSA-N -1 0 300.311 -0.319 20 0 DBADRM O=C(CC1CC1)NC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001501626103 1018842457 /nfs/dbraw/zinc/84/24/57/1018842457.db2.gz AXSJGWUJAQLZNI-OWOJBTEDSA-N -1 0 309.326 -0.722 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCc1ccoc1C(=O)[O-] ZINC001606453587 1018842677 /nfs/dbraw/zinc/84/26/77/1018842677.db2.gz BSPCACDOTXBKAG-UHFFFAOYSA-N -1 0 320.323 -0.193 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001606453815 1018842727 /nfs/dbraw/zinc/84/27/27/1018842727.db2.gz KOZSDPFQDXEVGS-YUMQZZPRSA-N -1 0 312.319 -0.777 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)c1ccnc(C(=O)[O-])c1 ZINC001606455651 1018843160 /nfs/dbraw/zinc/84/31/60/1018843160.db2.gz YSXIFMJFSCFDNM-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H](C)[C@H]1CCC(=O)N1)C(=O)[O-] ZINC001606457825 1018844028 /nfs/dbraw/zinc/84/40/28/1018844028.db2.gz AWVWVVGXVZENST-DJLDLDEBSA-N -1 0 300.311 -0.576 20 0 DBADRM COC(=O)COCC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001606470823 1018845235 /nfs/dbraw/zinc/84/52/35/1018845235.db2.gz JHDCPSDDFDYZNR-VHSXEESVSA-N -1 0 303.311 -0.438 20 0 DBADRM COC(=O)COCC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001606470985 1018845121 /nfs/dbraw/zinc/84/51/21/1018845121.db2.gz RGPGVWQMDZKRER-RKDXNWHRSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)CNC(=O)c1ccc(C(=O)NCC(=O)[O-])s1 ZINC001606470953 1018845202 /nfs/dbraw/zinc/84/52/02/1018845202.db2.gz PNIYQJFRCUQHQT-UHFFFAOYSA-N -1 0 300.292 -0.535 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001606470842 1018845401 /nfs/dbraw/zinc/84/54/01/1018845401.db2.gz KJTGALHQZUMFAE-UHFFFAOYSA-N -1 0 315.307 -0.143 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN(c3ncns3)CC2)[nH]n1 ZINC001606465468 1018845452 /nfs/dbraw/zinc/84/54/52/1018845452.db2.gz VBIFDYZEHWODEB-UHFFFAOYSA-N -1 0 308.323 -0.078 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cnccc1C ZINC001606468621 1018845924 /nfs/dbraw/zinc/84/59/24/1018845924.db2.gz PGMLPXQTSOGDLA-UHFFFAOYSA-N -1 0 302.308 -0.362 20 0 DBADRM COC(=O)CNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001606470809 1018845934 /nfs/dbraw/zinc/84/59/34/1018845934.db2.gz JANHJBLEACYVSA-UHFFFAOYSA-N -1 0 308.699 -0.116 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCC[C@@H](C(=O)NCC(=O)[O-])C1 ZINC001606471485 1018846315 /nfs/dbraw/zinc/84/63/15/1018846315.db2.gz GJIGIDVUQDCLPR-RKDXNWHRSA-N -1 0 300.311 -0.717 20 0 DBADRM COC(=O)CSCCC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001606474494 1018847002 /nfs/dbraw/zinc/84/70/02/1018847002.db2.gz BQROZSYDERKVCX-VIFPVBQESA-N -1 0 305.352 -0.015 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)c1cncc(C(=O)[O-])c1 ZINC001606471489 1018847007 /nfs/dbraw/zinc/84/70/07/1018847007.db2.gz GQAXLYUMFKMJSC-SSDOTTSWSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)COCCNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001606474286 1018847173 /nfs/dbraw/zinc/84/71/73/1018847173.db2.gz RRMVJLVMZFYGKZ-VHSXEESVSA-N -1 0 323.367 -0.261 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCc3nnnn3CC2)nc1 ZINC001606472764 1018847188 /nfs/dbraw/zinc/84/71/88/1018847188.db2.gz LOLJCHMGMYJMJD-VIFPVBQESA-N -1 0 302.294 -0.099 20 0 DBADRM COC(=O)NCCCC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001606495026 1018847871 /nfs/dbraw/zinc/84/78/71/1018847871.db2.gz RJCDQETWPFWSSG-NSHDSACASA-N -1 0 302.327 -0.193 20 0 DBADRM COC(=O)C[C@@H](OC(=O)CN(C)[C@@H]1CCSC1)C(=O)[O-] ZINC001606476375 1018847283 /nfs/dbraw/zinc/84/72/83/1018847283.db2.gz GPCURSSINQXEBW-RKDXNWHRSA-N -1 0 305.352 -0.017 20 0 DBADRM COC(=O)C[C@@H](OC(=O)/C=C\c1ccc(C(N)=O)o1)C(=O)[O-] ZINC001606477522 1018847381 /nfs/dbraw/zinc/84/73/81/1018847381.db2.gz YBCUQRPCMSVDSW-AZVKUDOFSA-N -1 0 311.246 -0.049 20 0 DBADRM COC(=O)C[C@@H](OC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-] ZINC001606476882 1018847403 /nfs/dbraw/zinc/84/74/03/1018847403.db2.gz OUPOJXXCVYFSFO-OIBJUYFYSA-N -1 0 311.294 -0.521 20 0 DBADRM COC(=O)N(C)CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001606486349 1018847473 /nfs/dbraw/zinc/84/74/73/1018847473.db2.gz LZDIAQBROBFXLV-DTWKUNHWSA-N -1 0 315.326 -0.878 20 0 DBADRM COC(=O)NCCNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C ZINC001606494547 1018847906 /nfs/dbraw/zinc/84/79/06/1018847906.db2.gz DXYVXNFTQMOLRX-JTQLQIEISA-N -1 0 316.358 -0.467 20 0 DBADRM COC(=O)N1CCC(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])CC1 ZINC001606490067 1018847937 /nfs/dbraw/zinc/84/79/37/1018847937.db2.gz SFXVLTMKUZBOGG-MNOVXSKESA-N -1 0 314.338 -0.099 20 0 DBADRM COC(=O)NCCC(=O)NCc1c(C)nn(CC(=O)[O-])c1C ZINC001606493293 1018847957 /nfs/dbraw/zinc/84/79/57/1018847957.db2.gz ATLVPTMZBKCXHV-UHFFFAOYSA-N -1 0 312.326 -0.053 20 0 DBADRM COC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)C1 ZINC001606495998 1018848665 /nfs/dbraw/zinc/84/86/65/1018848665.db2.gz IJMADUMJRKOLRK-XKNYDFJKSA-N -1 0 300.311 -0.179 20 0 DBADRM COC(=O)NCCCC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001606495024 1018849020 /nfs/dbraw/zinc/84/90/20/1018849020.db2.gz RJCDQETWPFWSSG-LLVKDONJSA-N -1 0 302.327 -0.193 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001606505821 1018849422 /nfs/dbraw/zinc/84/94/22/1018849422.db2.gz VXPBKWKPNUCERQ-DTWKUNHWSA-N -1 0 300.311 -0.575 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(C)(C)C ZINC001606506273 1018849672 /nfs/dbraw/zinc/84/96/72/1018849672.db2.gz GUFPOYIFHWGORQ-MRVPVSSYSA-N -1 0 319.339 -0.026 20 0 DBADRM O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccncc1-c1nn[nH]n1 ZINC001606506390 1018849677 /nfs/dbraw/zinc/84/96/77/1018849677.db2.gz CBJUTGLQZBWCJI-QMMMGPOBSA-N -1 0 322.350 -0.553 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1nc(C(=O)[O-])nc1Cl)C(C)C ZINC001606505931 1018849837 /nfs/dbraw/zinc/84/98/37/1018849837.db2.gz ODGFJLZYEJXYRX-ZETCQYMHSA-N -1 0 318.717 -0.057 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CCCS(C)(=O)=O ZINC001606506049 1018850305 /nfs/dbraw/zinc/85/03/05/1018850305.db2.gz ZJKWXJJKDASYNA-MRVPVSSYSA-N -1 0 309.340 -0.666 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CN1CCCCCC1=O ZINC001606506044 1018850534 /nfs/dbraw/zinc/85/05/34/1018850534.db2.gz ZFMBJMSXYZCSMH-SNVBAGLBSA-N -1 0 314.338 -0.088 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)OCC(=O)NCCC(=O)[O-])C1 ZINC001606516598 1018850885 /nfs/dbraw/zinc/85/08/85/1018850885.db2.gz VLGPAGVPGGPPFS-DTWKUNHWSA-N -1 0 301.295 -0.290 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C[C@H]1C ZINC001606515241 1018851065 /nfs/dbraw/zinc/85/10/65/1018851065.db2.gz UBGRSRUEBSECEU-DTHBNOIPSA-N -1 0 315.322 -0.345 20 0 DBADRM COC(=O)[C@H]1CC[C@H]1C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001606519393 1018851440 /nfs/dbraw/zinc/85/14/40/1018851440.db2.gz LXIMVVQENKOYQK-IVZWLZJFSA-N -1 0 313.306 -0.196 20 0 DBADRM COC(=O)[C@H]1CC(F)(F)CN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001606515610 1018851502 /nfs/dbraw/zinc/85/15/02/1018851502.db2.gz YFTITTWDIPABPJ-SSDOTTSWSA-N -1 0 318.236 -0.615 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNC(=O)Cn2ccc(C(=O)[O-])n2)C1(F)F ZINC001606514632 1018851823 /nfs/dbraw/zinc/85/18/23/1018851823.db2.gz PZLUHYJKJZYBJF-RCOVLWMOSA-N -1 0 317.248 -0.248 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001606525187 1018852306 /nfs/dbraw/zinc/85/23/06/1018852306.db2.gz OVFCYNUFYCIFBP-RQJHMYQMSA-N -1 0 317.323 -0.354 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN2C[C@@H]3COC[C@H](C2)O3)n1 ZINC001606537121 1018852978 /nfs/dbraw/zinc/85/29/78/1018852978.db2.gz UYUPQPYXVVPPFF-DTORHVGOSA-N -1 0 311.294 -0.575 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CC[C@H](CN3CCOCC3)C2)cn1 ZINC001606534108 1018853217 /nfs/dbraw/zinc/85/32/17/1018853217.db2.gz XZYSQOQBVKGYPC-LLVKDONJSA-N -1 0 320.349 -0.031 20 0 DBADRM O=C(CCc1ccon1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001606534746 1018853371 /nfs/dbraw/zinc/85/33/71/1018853371.db2.gz VYQASQSIGSCUJR-UHFFFAOYSA-N -1 0 303.286 -0.805 20 0 DBADRM COC(=O)c1cc(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])n(C)n1 ZINC001606533552 1018853391 /nfs/dbraw/zinc/85/33/91/1018853391.db2.gz TUDWELAEHIQNSN-GMSGAONNSA-N -1 0 311.294 -0.574 20 0 DBADRM O=C([O-])C1(C(=O)OC[C@@H]2OCCNC2=O)CCSCC1 ZINC001606566912 1018855814 /nfs/dbraw/zinc/85/58/14/1018855814.db2.gz WRWPDJSNIUXRBE-QMMMGPOBSA-N -1 0 303.336 -0.357 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1CCN([C@H]2CCOC2=O)CC1 ZINC001606566960 1018855281 /nfs/dbraw/zinc/85/52/81/1018855281.db2.gz YCBQZIKLFDPVTA-TUAOUCFPSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])C1CCN(C(=O)NCc2nnc3n2CCNC3=O)CC1 ZINC001606566289 1018855344 /nfs/dbraw/zinc/85/53/44/1018855344.db2.gz GZYWONXUKPQPOG-UHFFFAOYSA-N -1 0 322.325 -0.972 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])CC(C)C)n[nH]1 ZINC001606565572 1018855349 /nfs/dbraw/zinc/85/53/49/1018855349.db2.gz HFVGTFRGGMXVPH-UHFFFAOYSA-N -1 0 319.339 -0.072 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])n(C)c1 ZINC001606565979 1018855594 /nfs/dbraw/zinc/85/55/94/1018855594.db2.gz VJJCKZBNZATYDF-ZETCQYMHSA-N -1 0 304.324 -0.095 20 0 DBADRM O=C([O-])C1(C(=O)O[C@H]2CCC(=O)NC2=O)CCSCC1 ZINC001606559055 1018855728 /nfs/dbraw/zinc/85/57/28/1018855728.db2.gz FVJGDTCTBQWHTN-ZETCQYMHSA-N -1 0 301.320 -0.067 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])n1C ZINC001606571757 1018856634 /nfs/dbraw/zinc/85/66/34/1018856634.db2.gz AZYBSJNINNFBIT-GHMZBOCLSA-N -1 0 310.306 -0.138 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])cc1 ZINC001606593964 1018856803 /nfs/dbraw/zinc/85/68/03/1018856803.db2.gz CGVGKFJDNAJVQT-JTQLQIEISA-N -1 0 324.289 -0.637 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)n1C ZINC001606572876 1018857712 /nfs/dbraw/zinc/85/77/12/1018857712.db2.gz XZQKRMSUXUKZLU-SSDOTTSWSA-N -1 0 312.278 -0.442 20 0 DBADRM O=C(Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O)OCC(F)(F)F ZINC001606615603 1018858828 /nfs/dbraw/zinc/85/88/28/1018858828.db2.gz ZWWNRETWHUMJDQ-UHFFFAOYSA-N -1 0 320.187 -0.766 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N(C1CC1)C1CC1 ZINC001606614983 1018859325 /nfs/dbraw/zinc/85/93/25/1018859325.db2.gz BXQXNBUPHWWZJX-UHFFFAOYSA-N -1 0 317.309 -0.718 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccnc(F)c1 ZINC001606623691 1018860251 /nfs/dbraw/zinc/86/02/51/1018860251.db2.gz ZNVSQPBBEIDMIH-UHFFFAOYSA-N -1 0 303.261 -0.691 20 0 DBADRM COC(=O)c1cnc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cn1 ZINC001606624200 1018860581 /nfs/dbraw/zinc/86/05/81/1018860581.db2.gz CXGXTJJTPWCKFU-JTQLQIEISA-N -1 0 308.294 -0.962 20 0 DBADRM COC(=O)c1ccnc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])c1 ZINC001606622674 1018860741 /nfs/dbraw/zinc/86/07/41/1018860741.db2.gz ZZENEINVYHFUJP-SNVBAGLBSA-N -1 0 324.289 -0.186 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])nn1 ZINC001606622949 1018860773 /nfs/dbraw/zinc/86/07/73/1018860773.db2.gz JXNFXJQGSLRUNW-OQPBUACISA-N -1 0 308.294 -0.470 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001606620806 1018860925 /nfs/dbraw/zinc/86/09/25/1018860925.db2.gz QWMVCMFXOBHFSM-UTLUCORTSA-N -1 0 318.341 -0.468 20 0 DBADRM CO[C@H](C)C(=O)N(CCO)CCNc1ncc(C(=O)[O-])cn1 ZINC001606658974 1018864021 /nfs/dbraw/zinc/86/40/21/1018864021.db2.gz FYZGZGGPENLBNI-SECBINFHSA-N -1 0 312.326 -0.558 20 0 DBADRM CO[C@H](C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1CC1 ZINC001606649401 1018864089 /nfs/dbraw/zinc/86/40/89/1018864089.db2.gz SNVPYMSSEYPPQL-VIFPVBQESA-N -1 0 305.352 -0.440 20 0 DBADRM CO[C@H](C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1)c1cnn(C)c1 ZINC001606647819 1018864679 /nfs/dbraw/zinc/86/46/79/1018864679.db2.gz HFKJIGBOMRJXKH-WCQGTBRESA-N -1 0 311.338 -0.039 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 ZINC001606652729 1018864731 /nfs/dbraw/zinc/86/47/31/1018864731.db2.gz GVXGEVQWBZSDPJ-TVQRCGJNSA-N -1 0 302.327 -0.517 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)c1cnn(CCO)c1)OC ZINC001606674109 1018865037 /nfs/dbraw/zinc/86/50/37/1018865037.db2.gz FFTNMGKAONLENM-UHFFFAOYSA-N -1 0 315.326 -0.589 20 0 DBADRM COC(OC)[C@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606684074 1018867222 /nfs/dbraw/zinc/86/72/22/1018867222.db2.gz DOGDGTYVCXWIFC-IUCAKERBSA-N -1 0 302.327 -0.567 20 0 DBADRM CO[C@H](CNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001606676604 1018865879 /nfs/dbraw/zinc/86/58/79/1018865879.db2.gz REOXRWYEMXXFTF-NNYUYHANSA-N -1 0 316.354 -0.485 20 0 DBADRM CO[C@H](CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(C)C ZINC001606676237 1018866238 /nfs/dbraw/zinc/86/62/38/1018866238.db2.gz MLRDOHOPFNVVMD-LPEHRKFASA-N -1 0 303.359 -0.066 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@H](CCF)C(=O)[O-])[C@@H]1CCOC1 ZINC001606683558 1018866787 /nfs/dbraw/zinc/86/67/87/1018866787.db2.gz WCLVAFXNPFSXQG-OPRDCNLKSA-N -1 0 313.347 -0.230 20 0 DBADRM COC1(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CS(=O)(=O)C1 ZINC001606689016 1018867198 /nfs/dbraw/zinc/86/71/98/1018867198.db2.gz QIOUARUUUFFLOT-LURJTMIESA-N -1 0 313.278 -0.879 20 0 DBADRM CO[C@@]1(C(=O)NC[C@H](CC2CC2)C(=O)[O-])CCS(=O)(=O)C1 ZINC001606690427 1018867260 /nfs/dbraw/zinc/86/72/60/1018867260.db2.gz PEPKLLYUVBKCQM-GWCFXTLKSA-N -1 0 319.379 -0.193 20 0 DBADRM CO[C@H](CS(=O)(=O)NCCn1cc(C(=O)[O-])nn1)C(C)C ZINC001606683768 1018867292 /nfs/dbraw/zinc/86/72/92/1018867292.db2.gz YSJOFKKARHENAQ-SNVBAGLBSA-N -1 0 320.371 -0.433 20 0 DBADRM COC1(C(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)CS(=O)(=O)C1 ZINC001606690226 1018867305 /nfs/dbraw/zinc/86/73/05/1018867305.db2.gz BELKIJQBMXRPSH-UHFFFAOYSA-N -1 0 316.291 -0.763 20 0 DBADRM COC(OC)[C@H](C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001606684073 1018867354 /nfs/dbraw/zinc/86/73/54/1018867354.db2.gz DOGDGTYVCXWIFC-DTWKUNHWSA-N -1 0 302.327 -0.567 20 0 DBADRM CO[C@]1(C(=O)NCc2ocnc2C(=O)[O-])CCS(=O)(=O)C1 ZINC001606690433 1018867449 /nfs/dbraw/zinc/86/74/49/1018867449.db2.gz PIAFTYNCKKAPOS-LLVKDONJSA-N -1 0 318.307 -0.807 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@](C)(O)Cn2ccccc2=O)C1 ZINC001606696691 1018868413 /nfs/dbraw/zinc/86/84/13/1018868413.db2.gz NAWQFOMTXCMJSX-HUUCEWRRSA-N -1 0 324.333 -0.699 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC[C@H]2CCCO2)C1 ZINC001606695401 1018868523 /nfs/dbraw/zinc/86/85/23/1018868523.db2.gz BYWMLJIQJNMHSA-QMTHXVAHSA-N -1 0 314.338 -0.626 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CCn2cccn2)C1 ZINC001606690834 1018868716 /nfs/dbraw/zinc/86/87/16/1018868716.db2.gz FBALYVTZDCJQOQ-CQSZACIVSA-N -1 0 324.337 -0.956 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001606695291 1018868744 /nfs/dbraw/zinc/86/87/44/1018868744.db2.gz ATIBDMLATOMKNK-OTYXRUKQSA-N -1 0 308.338 -0.378 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001606696564 1018868826 /nfs/dbraw/zinc/86/88/26/1018868826.db2.gz DWQLOUZHIDACRW-LBPRGKRZSA-N -1 0 320.367 -0.886 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C)O)C1 ZINC001606691905 1018868871 /nfs/dbraw/zinc/86/88/71/1018868871.db2.gz SKSNTAUBQSBZHZ-RBZYPMLTSA-N -1 0 314.338 -0.940 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@H]2CC[C@H](C)O2)C1 ZINC001606691282 1018868881 /nfs/dbraw/zinc/86/88/81/1018868881.db2.gz KXLCOYCPIGFBGW-IMSIIYSGSA-N -1 0 314.338 -0.628 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001606700216 1018870595 /nfs/dbraw/zinc/87/05/95/1018870595.db2.gz FVXZDODLHWRSSI-LLVKDONJSA-N -1 0 318.307 -0.757 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCn2ccnc2)C1 ZINC001606705422 1018870923 /nfs/dbraw/zinc/87/09/23/1018870923.db2.gz FGUQOMAEPVZRIQ-NSHDSACASA-N -1 0 303.340 -0.612 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnc(-c3ccnn3C)n2C)C1 ZINC001606706078 1018871228 /nfs/dbraw/zinc/87/12/28/1018871228.db2.gz JGBDRQPNEBGTBW-CYBMUJFWSA-N -1 0 306.326 -0.105 20 0 DBADRM CO[C@H]1C[C@@H](Cn2nnnc2N2CC[C@@](OC)(C(=O)[O-])C2)C1 ZINC001606706414 1018871370 /nfs/dbraw/zinc/87/13/70/1018871370.db2.gz LTVSRDYQEMLMCY-CWSCBRNRSA-N -1 0 311.342 -0.222 20 0 DBADRM COC1(C)CN(C(=O)C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1 ZINC001606714567 1018871518 /nfs/dbraw/zinc/87/15/18/1018871518.db2.gz GNEFPQIFJFMGBF-DBIOUOCHSA-N -1 0 310.350 -0.151 20 0 DBADRM CO[C@]1(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CCSC1 ZINC001606717098 1018871532 /nfs/dbraw/zinc/87/15/32/1018871532.db2.gz OAWZPVAWMAJXJZ-CWSCBRNRSA-N -1 0 318.395 -0.015 20 0 DBADRM COC1(C(=O)O[C@H]2CCCC[C@@H]2C(=O)[O-])CS(=O)(=O)C1 ZINC001606705559 1018871850 /nfs/dbraw/zinc/87/18/50/1018871850.db2.gz CTSNLPYTFSIMTL-IUCAKERBSA-N -1 0 306.336 -0.013 20 0 DBADRM CO[C@@]1(C)CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC001606714973 1018871892 /nfs/dbraw/zinc/87/18/92/1018871892.db2.gz QOBIEPVRSUOMKX-YGRLFVJLSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)C1 ZINC001606748434 1018872407 /nfs/dbraw/zinc/87/24/07/1018872407.db2.gz IJXYSRPOGBCRTN-JTQLQIEISA-N -1 0 324.337 -0.148 20 0 DBADRM CO[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C12CCC2 ZINC001606723646 1018872580 /nfs/dbraw/zinc/87/25/80/1018872580.db2.gz WJYDVKONHUCZQU-UKKRHICBSA-N -1 0 310.350 -0.103 20 0 DBADRM CO[C@H]1CCN(C(=O)CCCCNC(N)=O)[C@@H](C(=O)[O-])C1 ZINC001606749287 1018872636 /nfs/dbraw/zinc/87/26/36/1018872636.db2.gz AGYKIJIGKMGJKS-VHSXEESVSA-N -1 0 301.343 -0.084 20 0 DBADRM COC1(OC)CCN(C(=O)CCSCC(=O)[O-])C[C@@H]1O ZINC001606722664 1018872884 /nfs/dbraw/zinc/87/28/84/1018872884.db2.gz KFVBRRGPBCSNCH-VIFPVBQESA-N -1 0 307.368 -0.223 20 0 DBADRM CO[C@H]1CC[C@@H](NC(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001606732915 1018872944 /nfs/dbraw/zinc/87/29/44/1018872944.db2.gz MNTDXCVGRIXJMM-ZJUUUORDSA-N -1 0 301.343 -0.166 20 0 DBADRM COC[C@H](C)CNC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001606797082 1018878530 /nfs/dbraw/zinc/87/85/30/1018878530.db2.gz FEKKLANRLAWCDJ-UTLUCORTSA-N -1 0 302.327 -0.216 20 0 DBADRM COC1(CS(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CCC1 ZINC001606721264 1018873277 /nfs/dbraw/zinc/87/32/77/1018873277.db2.gz WGBFOAHUFSDDCV-NXEZZACHSA-N -1 0 307.368 -0.347 20 0 DBADRM CO[C@@H]1CC[C@H]1N(C)C(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001606736615 1018873366 /nfs/dbraw/zinc/87/33/66/1018873366.db2.gz RTQDYDOBALKGDI-RULNRJAQSA-N -1 0 314.338 -0.676 20 0 DBADRM CO[C@H]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)C1 ZINC001606732921 1018873494 /nfs/dbraw/zinc/87/34/94/1018873494.db2.gz MYWZKQXVWCVNMH-UWVGGRQHSA-N -1 0 324.337 -0.102 20 0 DBADRM CO[C@@H]1CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001606735585 1018873508 /nfs/dbraw/zinc/87/35/08/1018873508.db2.gz OLQILKGNLXBJJA-GWOFURMSSA-N -1 0 314.338 -0.677 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC/C=C/CNC(=O)C1=CCCC1 ZINC001501778179 1018873608 /nfs/dbraw/zinc/87/36/08/1018873608.db2.gz OFDVNLCREWFOAT-ONEGZZNKSA-N -1 0 321.337 -0.412 20 0 DBADRM COC[C@](C)(O)CCNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001606792095 1018878542 /nfs/dbraw/zinc/87/85/42/1018878542.db2.gz IGBBHEOQEKZZAY-OUJBWJOFSA-N -1 0 304.343 -0.749 20 0 DBADRM CO[C@@H]1CCN(C(=O)CNC(=O)c2cccnc2)[C@@H](C(=O)[O-])C1 ZINC001606750594 1018873927 /nfs/dbraw/zinc/87/39/27/1018873927.db2.gz MLIRTXWBSUPFND-VXGBXAGGSA-N -1 0 321.333 -0.098 20 0 DBADRM CO[C@@H]1CCN(C(=O)CNC(=O)c2cccnc2)[C@H](C(=O)[O-])C1 ZINC001606750591 1018873977 /nfs/dbraw/zinc/87/39/77/1018873977.db2.gz MLIRTXWBSUPFND-NEPJUHHUSA-N -1 0 321.333 -0.098 20 0 DBADRM CO[C@@H]1CN(C(=O)CCCCNC(N)=O)[C@](C)(C(=O)[O-])C1 ZINC001606762230 1018874356 /nfs/dbraw/zinc/87/43/56/1018874356.db2.gz AOAQDWVDZJFCFF-ZANVPECISA-N -1 0 301.343 -0.084 20 0 DBADRM COCC(=O)N(C)CC(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001606771951 1018875063 /nfs/dbraw/zinc/87/50/63/1018875063.db2.gz MVWKEFRGDXUIQL-UHFFFAOYSA-N -1 0 315.351 -0.395 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001606772361 1018875392 /nfs/dbraw/zinc/87/53/92/1018875392.db2.gz VHLWXMTVKABJGC-WISYIIOYSA-N -1 0 316.354 -0.485 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001606770906 1018875705 /nfs/dbraw/zinc/87/57/05/1018875705.db2.gz OUIWUGJSNDYRKN-KXUCPTDWSA-N -1 0 320.367 -0.553 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001606772962 1018875850 /nfs/dbraw/zinc/87/58/50/1018875850.db2.gz ZEIHPNFJGSGYSP-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1coc(-c2nn[nH]n2)c1 ZINC001606775769 1018875878 /nfs/dbraw/zinc/87/58/78/1018875878.db2.gz GLZCPOCGKMKTCP-UHFFFAOYSA-N -1 0 304.270 -0.354 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)N1CCS(=O)(=O)CC1 ZINC001606781167 1018877341 /nfs/dbraw/zinc/87/73/41/1018877341.db2.gz CWAIKDJDSDZJQX-LLVKDONJSA-N -1 0 308.356 -0.694 20 0 DBADRM COC[C@](C)(NC(=O)c1ccnc(S(C)(=O)=O)n1)C(=O)[O-] ZINC001606791887 1018878196 /nfs/dbraw/zinc/87/81/96/1018878196.db2.gz VIKDVERDCMPXJB-NSHDSACASA-N -1 0 317.323 -0.900 20 0 DBADRM COC[C@H](C)[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001606793104 1018878276 /nfs/dbraw/zinc/87/82/76/1018878276.db2.gz IJSAOUSRLNCFRG-AEJSXWLSSA-N -1 0 307.368 -0.385 20 0 DBADRM COC[C@H](CN1CCO[C@H](C)C1)OC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001606800573 1018879549 /nfs/dbraw/zinc/87/95/49/1018879549.db2.gz NJBSOSUCNXXJMX-NOOOWODRSA-N -1 0 301.339 -0.014 20 0 DBADRM COC[C@H](CCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1)OC ZINC001606799851 1018880526 /nfs/dbraw/zinc/88/05/26/1018880526.db2.gz QDAZZBPFAQNZSH-QWRGUYRKSA-N -1 0 304.343 -0.077 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@@H](O)C1CCCCC1 ZINC001606802771 1018880685 /nfs/dbraw/zinc/88/06/85/1018880685.db2.gz NDKZYAQCKVEGCY-JTQLQIEISA-N -1 0 320.357 -0.484 20 0 DBADRM O=C(NCc1c[nH]c(=O)[nH]1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001606814909 1018881363 /nfs/dbraw/zinc/88/13/63/1018881363.db2.gz YYKZGRHYZRNNOP-UHFFFAOYSA-N -1 0 301.266 -0.069 20 0 DBADRM COC[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1N)C(=O)[O-] ZINC001606813543 1018881382 /nfs/dbraw/zinc/88/13/82/1018881382.db2.gz URRTZCZUVQMNHN-JTQLQIEISA-N -1 0 316.335 -0.498 20 0 DBADRM COC[C@@H](NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-] ZINC001606806322 1018881414 /nfs/dbraw/zinc/88/14/14/1018881414.db2.gz NIXLQXSKBMGUJN-WCBMZHEXSA-N -1 0 323.367 -0.816 20 0 DBADRM COC[C@@H](NC(=O)c1coc(CS(C)(=O)=O)n1)C(=O)[O-] ZINC001606812199 1018881463 /nfs/dbraw/zinc/88/14/63/1018881463.db2.gz CANJPHXEGNLSOQ-SSDOTTSWSA-N -1 0 306.296 -0.951 20 0 DBADRM COC[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCCCC1)C(N)=O ZINC001606816211 1018881737 /nfs/dbraw/zinc/88/17/37/1018881737.db2.gz RKCAYUVTAJYALX-SECBINFHSA-N -1 0 322.383 -0.559 20 0 DBADRM COC[C@@H](NC(=O)CNC(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC001606808716 1018881746 /nfs/dbraw/zinc/88/17/46/1018881746.db2.gz AITWLHVKQBJLQC-LLVKDONJSA-N -1 0 310.306 -0.359 20 0 DBADRM COC[C@@H](NC(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)C(=O)[O-] ZINC001606811396 1018882096 /nfs/dbraw/zinc/88/20/96/1018882096.db2.gz ZFDCHCPJSHVNRX-MRVPVSSYSA-N -1 0 323.309 -0.783 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC001606808718 1018882269 /nfs/dbraw/zinc/88/22/69/1018882269.db2.gz AITWLHVKQBJLQC-NSHDSACASA-N -1 0 310.306 -0.359 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cccnc1C(=O)[O-])C(=O)OC ZINC001606817232 1018883029 /nfs/dbraw/zinc/88/30/29/1018883029.db2.gz AXMZMUJKVSGFAP-SSDOTTSWSA-N -1 0 318.307 -0.754 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)C(N)=O ZINC001606818631 1018883075 /nfs/dbraw/zinc/88/30/75/1018883075.db2.gz NNZGPOANKXWEHX-SNVBAGLBSA-N -1 0 316.335 -0.908 20 0 DBADRM COC[C@@H](O)CCNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001606817930 1018883215 /nfs/dbraw/zinc/88/32/15/1018883215.db2.gz GVTVBIBUNJXVBY-VIFPVBQESA-N -1 0 306.340 -0.601 20 0 DBADRM COC[C@H](O)CCNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001606817929 1018883369 /nfs/dbraw/zinc/88/33/69/1018883369.db2.gz GVTVBIBUNJXVBY-SECBINFHSA-N -1 0 306.340 -0.601 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001606830936 1018884055 /nfs/dbraw/zinc/88/40/55/1018884055.db2.gz UBOVVSCULULMIF-GWCFXTLKSA-N -1 0 319.379 -0.097 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001606833269 1018884474 /nfs/dbraw/zinc/88/44/74/1018884474.db2.gz RCPWHHOTIGKCQW-CYBMUJFWSA-N -1 0 311.294 -0.808 20 0 DBADRM CCCCN1CCOC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001501841716 1018884728 /nfs/dbraw/zinc/88/47/28/1018884728.db2.gz MLXHENXZQVIHEZ-JTQLQIEISA-N -1 0 313.358 -0.694 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cnc(N)nc1 ZINC001606834254 1018885141 /nfs/dbraw/zinc/88/51/41/1018885141.db2.gz MXEVESMOYLDNEA-NSHDSACASA-N -1 0 316.339 -0.687 20 0 DBADRM COCC1(S(=O)(=O)N[C@H](CC2OCCO2)C(=O)[O-])CCC1 ZINC001606842667 1018885750 /nfs/dbraw/zinc/88/57/50/1018885750.db2.gz NFJYCJPMEYLDOL-SECBINFHSA-N -1 0 323.367 -0.309 20 0 DBADRM COCC1(Cn2nnnc2N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC001606841514 1018885809 /nfs/dbraw/zinc/88/58/09/1018885809.db2.gz ZGMPPZILTQOIIB-SNVBAGLBSA-N -1 0 311.342 -0.220 20 0 DBADRM COCC1(CS(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)CCC1 ZINC001606841043 1018885990 /nfs/dbraw/zinc/88/59/90/1018885990.db2.gz JIUQRGODYLBVJP-UHFFFAOYSA-N -1 0 321.395 -0.052 20 0 DBADRM COC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC001606846004 1018886899 /nfs/dbraw/zinc/88/68/99/1018886899.db2.gz ONUWFSCLVYGVCX-BQVMBELUSA-N -1 0 310.350 -0.007 20 0 DBADRM COCCC(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1OC ZINC001606851136 1018887393 /nfs/dbraw/zinc/88/73/93/1018887393.db2.gz FXRDQLZBSKQUIC-GHMZBOCLSA-N -1 0 324.337 -0.469 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CCO1 ZINC001606847568 1018887399 /nfs/dbraw/zinc/88/73/99/1018887399.db2.gz GYLDRRQUQQFYJK-IINYFYTJSA-N -1 0 314.338 -0.817 20 0 DBADRM COCC[C@H](CO)NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001606855203 1018887409 /nfs/dbraw/zinc/88/74/09/1018887409.db2.gz DOCJTPGYIABXFM-OUAUKWLOSA-N -1 0 309.384 -0.053 20 0 DBADRM COCC[C@@H](NC(=O)CCCN1C(=O)CCC1=O)C(=O)[O-] ZINC001606855415 1018887716 /nfs/dbraw/zinc/88/77/16/1018887716.db2.gz VQZBQCYGMYPWPH-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM COCC[C@H](CO)NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001606855202 1018887839 /nfs/dbraw/zinc/88/78/39/1018887839.db2.gz DOCJTPGYIABXFM-MXWKQRLJSA-N -1 0 309.384 -0.053 20 0 DBADRM COCC[C@@H](NC(=O)c1cccc(-n2cncn2)n1)C(=O)[O-] ZINC001606859952 1018888762 /nfs/dbraw/zinc/88/87/62/1018888762.db2.gz ZVRFRZBPHYRCIP-SNVBAGLBSA-N -1 0 305.294 -0.118 20 0 DBADRM COCC[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C(N)=O ZINC001606859446 1018889321 /nfs/dbraw/zinc/88/93/21/1018889321.db2.gz OHOLMZIVNDVXIB-QMMMGPOBSA-N -1 0 308.356 -0.949 20 0 DBADRM COCC[C@@H]1CNCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001606865353 1018889440 /nfs/dbraw/zinc/88/94/40/1018889440.db2.gz YLJQQKXNVYWDSF-SECBINFHSA-N -1 0 318.351 -0.023 20 0 DBADRM O=C(NOCCN1CCCC1=O)c1cc(-c2nn[nH]n2)ccn1 ZINC001606862818 1018889531 /nfs/dbraw/zinc/88/95/31/1018889531.db2.gz LEDCUZWWZWDZSW-UHFFFAOYSA-N -1 0 317.309 -0.455 20 0 DBADRM COCCCn1nc(C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1=O ZINC001606877528 1018890548 /nfs/dbraw/zinc/89/05/48/1018890548.db2.gz OVQCBRSFMUKKKP-JTQLQIEISA-N -1 0 309.322 -0.174 20 0 DBADRM COCCCOCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001606871225 1018890849 /nfs/dbraw/zinc/89/08/49/1018890849.db2.gz FLIZYIMWNZZPFH-GHMZBOCLSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCCN(CCO)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001606869438 1018891154 /nfs/dbraw/zinc/89/11/54/1018891154.db2.gz FBPNIMJRFXMTRK-UHFFFAOYSA-N -1 0 309.384 -0.098 20 0 DBADRM COCCCOCCC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001606872565 1018891165 /nfs/dbraw/zinc/89/11/65/1018891165.db2.gz OBCZKIDULSXLAM-WDEREUQCSA-N -1 0 317.338 -0.238 20 0 DBADRM COCCCN(CCO)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001606869312 1018891231 /nfs/dbraw/zinc/89/12/31/1018891231.db2.gz CLOYJUKDSTZBOP-UHFFFAOYSA-N -1 0 307.324 -0.003 20 0 DBADRM COCCN([C@@H](C)C(N)=O)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606878713 1018891280 /nfs/dbraw/zinc/89/12/80/1018891280.db2.gz DZKSIELJPUCVCW-XHNCKOQMSA-N -1 0 308.356 -0.998 20 0 DBADRM COCCCN(CCO)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606869820 1018891392 /nfs/dbraw/zinc/89/13/92/1018891392.db2.gz KENZWLVBTMHVRJ-UHFFFAOYSA-N -1 0 307.328 -0.873 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1 ZINC001606881148 1018892268 /nfs/dbraw/zinc/89/22/68/1018892268.db2.gz CJQGWTUPKMMSTJ-NHCYSSNCSA-N -1 0 316.354 -0.572 20 0 DBADRM COCCNC(=O)C1(NC(=O)c2cc(C(=O)[O-])nn2C)CC1 ZINC001606895945 1018893352 /nfs/dbraw/zinc/89/33/52/1018893352.db2.gz VQKASUAAOUYGCR-UHFFFAOYSA-N -1 0 310.310 -0.857 20 0 DBADRM COCCN1CN(C(=O)Nc2ccc(C(=O)[O-])nn2)CC1=O ZINC001606895729 1018893429 /nfs/dbraw/zinc/89/34/29/1018893429.db2.gz WQPFOOPJRFOYGY-UHFFFAOYSA-N -1 0 309.282 -0.545 20 0 DBADRM COCCOCC(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001606901390 1018893700 /nfs/dbraw/zinc/89/37/00/1018893700.db2.gz YKFHGGGIFLAXIP-VHSXEESVSA-N -1 0 303.311 -0.486 20 0 DBADRM COCCOCCC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001606903472 1018893743 /nfs/dbraw/zinc/89/37/43/1018893743.db2.gz MRKYOZNUZRKHHG-MNOVXSKESA-N -1 0 317.338 -0.096 20 0 DBADRM COCCOCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001606900094 1018893901 /nfs/dbraw/zinc/89/39/01/1018893901.db2.gz CJUBNIMZMSWDJX-UWVGGRQHSA-N -1 0 303.311 -0.486 20 0 DBADRM COCCN1CN(CC(=O)c2cc(C(=O)[O-])[nH]c2C)CC1=O ZINC001606895132 1018893938 /nfs/dbraw/zinc/89/39/38/1018893938.db2.gz KKRMYZZHYYDKFA-UHFFFAOYSA-N -1 0 309.322 -0.048 20 0 DBADRM COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CC(=O)[O-] ZINC001606896578 1018893954 /nfs/dbraw/zinc/89/39/54/1018893954.db2.gz NDAZFMRBGNUCOQ-LBPRGKRZSA-N -1 0 308.334 -0.049 20 0 DBADRM COCCOCCC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001606903474 1018894356 /nfs/dbraw/zinc/89/43/56/1018894356.db2.gz MRKYOZNUZRKHHG-WDEREUQCSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCN1CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC001606895742 1018894389 /nfs/dbraw/zinc/89/43/89/1018894389.db2.gz XLIDIDGTPSXFGF-ZDUSSCGKSA-N -1 0 315.414 -0.134 20 0 DBADRM COCCN1CN(Cc2noc(CCCC(=O)[O-])n2)CC1=O ZINC001606895144 1018894420 /nfs/dbraw/zinc/89/44/20/1018894420.db2.gz KSGCGUVIPSDAOQ-UHFFFAOYSA-N -1 0 312.326 -0.275 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001606904072 1018894447 /nfs/dbraw/zinc/89/44/47/1018894447.db2.gz YXYVZECTLVIFBV-QWRGUYRKSA-N -1 0 316.354 -0.380 20 0 DBADRM COCCO[C@@H]1CCN(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])C1 ZINC001606901947 1018894500 /nfs/dbraw/zinc/89/45/00/1018894500.db2.gz ZVVLNSYUBRZREW-TUAOUCFPSA-N -1 0 316.354 -0.077 20 0 DBADRM COCCc1noc(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])n1 ZINC001606923332 1018895356 /nfs/dbraw/zinc/89/53/56/1018895356.db2.gz NPQMRMITGLXDIN-SECBINFHSA-N -1 0 312.326 -0.576 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC001606920020 1018895532 /nfs/dbraw/zinc/89/55/32/1018895532.db2.gz QDVQRHJZGMAART-GXFFZTMASA-N -1 0 319.379 -0.097 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC001606919208 1018895579 /nfs/dbraw/zinc/89/55/79/1018895579.db2.gz CUOZKENKOHOUGX-NXEZZACHSA-N -1 0 323.367 -0.862 20 0 DBADRM COCCS(=O)(=O)CC(=O)Nc1cc(C(=O)[O-])nn1C ZINC001606919509 1018895668 /nfs/dbraw/zinc/89/56/68/1018895668.db2.gz GRDNKVCXNYBSRW-UHFFFAOYSA-N -1 0 305.312 -0.882 20 0 DBADRM COCCOCCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001606904734 1018895791 /nfs/dbraw/zinc/89/57/91/1018895791.db2.gz UXWQNNOBUOTSME-UHFFFAOYSA-N -1 0 307.328 -0.642 20 0 DBADRM COCCS(=O)(=O)CCCN1CCC(O)(C(=O)[O-])CC1 ZINC001606920153 1018895896 /nfs/dbraw/zinc/89/58/96/1018895896.db2.gz XXOLKFZFGBMPFL-UHFFFAOYSA-N -1 0 309.384 -0.651 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001606937764 1018896730 /nfs/dbraw/zinc/89/67/30/1018896730.db2.gz LWXCJGOLJYRXKX-LBPRGKRZSA-N -1 0 324.333 -0.234 20 0 DBADRM COC[C@@H](C(N)=O)N(C)CC(=O)Nc1ccccc1C(=O)[O-] ZINC001606936779 1018896827 /nfs/dbraw/zinc/89/68/27/1018896827.db2.gz DRQOKCQCMKCQMI-NSHDSACASA-N -1 0 309.322 -0.245 20 0 DBADRM COCCn1c([C@@H](C)O)nnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC001606929106 1018897506 /nfs/dbraw/zinc/89/75/06/1018897506.db2.gz GCFOXNXKMREZEE-ZJUUUORDSA-N -1 0 314.342 -0.342 20 0 DBADRM O=C([O-])[C@H]1COCCN1c1cc(-c2nn[nH]n2)nc(C2CC2)n1 ZINC001606961462 1018897896 /nfs/dbraw/zinc/89/78/96/1018897896.db2.gz RUXDUZVPOULUIC-SECBINFHSA-N -1 0 317.309 -0.176 20 0 DBADRM CC(C)(C)C(=O)NC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001501950901 1018899416 /nfs/dbraw/zinc/89/94/16/1018899416.db2.gz TYPIJQNLTMTQBL-SNAWJCMRSA-N -1 0 311.342 -0.476 20 0 DBADRM CON(C)C(=O)CNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001606990367 1018900785 /nfs/dbraw/zinc/90/07/85/1018900785.db2.gz XDXIWTURUBGAMU-GFCCVEGCSA-N -1 0 314.298 -0.979 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001606990316 1018902480 /nfs/dbraw/zinc/90/24/80/1018902480.db2.gz UWXMWFZNJTZMBP-WPRPVWTQSA-N -1 0 317.342 -0.738 20 0 DBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC001606999877 1018904882 /nfs/dbraw/zinc/90/48/82/1018904882.db2.gz JKIFKAWWNSGPAE-NTSWFWBYSA-N -1 0 308.337 -0.467 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C[C@H](C)CC(=O)[O-])C[C@H]21 ZINC001606999632 1018905345 /nfs/dbraw/zinc/90/53/45/1018905345.db2.gz ZJTJVPPDUKDKID-MMWGEVLESA-N -1 0 319.379 -0.242 20 0 DBADRM CON1CCC(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001606994889 1018905543 /nfs/dbraw/zinc/90/55/43/1018905543.db2.gz WIHBAQUNSRVOPC-ONGXEEELSA-N -1 0 301.343 -0.511 20 0 DBADRM COc1c(F)cccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001607024381 1018909864 /nfs/dbraw/zinc/90/98/64/1018909864.db2.gz FPSCQHPUHWPPTI-MUWHJKNJSA-N -1 0 307.299 -0.053 20 0 DBADRM COc1c(C(=O)[O-])ncnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001607010818 1018911940 /nfs/dbraw/zinc/91/19/40/1018911940.db2.gz CNNREPSZSDHHEX-ZETCQYMHSA-N -1 0 301.324 -0.193 20 0 DBADRM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC(=O)NC1 ZINC001607041576 1018918103 /nfs/dbraw/zinc/91/81/03/1018918103.db2.gz DKJJSABAMJNWAH-SECBINFHSA-N -1 0 302.294 -0.197 20 0 DBADRM O=C1O[C@@H](Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)CC12CCC2 ZINC001607055154 1018930709 /nfs/dbraw/zinc/93/07/09/1018930709.db2.gz YUYQFRANFATUNW-SSDOTTSWSA-N -1 0 318.293 -0.385 20 0 DBADRM O=S(=O)(c1ccsc1-c1nnn[n-]1)N1CC[C@@H](O)C1 ZINC001607073340 1018942366 /nfs/dbraw/zinc/94/23/66/1018942366.db2.gz CACJVLZWHGHUCV-ZCFIWIBFSA-N -1 0 301.353 -0.317 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N(CCO)CC1CC1 ZINC001607072050 1018942755 /nfs/dbraw/zinc/94/27/55/1018942755.db2.gz ZBZDPCFELUWLKT-UHFFFAOYSA-N -1 0 313.339 -0.147 20 0 DBADRM COc1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)on1 ZINC001607073167 1018947086 /nfs/dbraw/zinc/94/70/86/1018947086.db2.gz BSCOLJXTQUMCTE-DTWKUNHWSA-N -1 0 323.305 -0.408 20 0 DBADRM COc1cc(C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])nn1C ZINC001607075725 1018947947 /nfs/dbraw/zinc/94/79/47/1018947947.db2.gz FPPBCVFGWSVKBD-ZDUSSCGKSA-N -1 0 307.310 -0.102 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1C[C@H]2C[C@@]2(CO)C1 ZINC001607074873 1018953009 /nfs/dbraw/zinc/95/30/09/1018953009.db2.gz RCOFOCMJXIQPJM-PELKAZGASA-N -1 0 322.350 -0.735 20 0 DBADRM O=c1c(-c2nnn[n-]2)cnc2ncn(CCC[C@@H]3CCOC3)n21 ZINC001607089579 1018958609 /nfs/dbraw/zinc/95/86/09/1018958609.db2.gz BBBPJFMPVFVGIY-SECBINFHSA-N -1 0 316.325 -0.112 20 0 DBADRM O=c1c(-c2nnn[n-]2)cccn1C[C@@H]1CCCS(=O)(=O)C1 ZINC001607092476 1018962467 /nfs/dbraw/zinc/96/24/67/1018962467.db2.gz VOQOAFLVFAQCRT-VIFPVBQESA-N -1 0 309.351 -0.147 20 0 DBADRM COc1cc(C(=O)[O-])cc(NC(=O)NC[C@@H](O)CO)c1OC ZINC001607101383 1018963007 /nfs/dbraw/zinc/96/30/07/1018963007.db2.gz LQRBYJFGCWHHRH-MRVPVSSYSA-N -1 0 314.294 -0.123 20 0 DBADRM COc1ccc([C@@H](NC(=O)[C@@H]2CC[C@H](C(N)=O)O2)C(=O)[O-])cc1 ZINC001607229687 1018979982 /nfs/dbraw/zinc/97/99/82/1018979982.db2.gz QYUBJWFDYUDADB-GRYCIOLGSA-N -1 0 322.317 -0.030 20 0 DBADRM COc1ccc(/C=C/C(=O)NCC(=O)NCC(=O)[O-])cc1O ZINC001607239839 1018980363 /nfs/dbraw/zinc/98/03/63/1018980363.db2.gz FIFAVOZUCZQCEW-HWKANZROSA-N -1 0 308.290 -0.269 20 0 DBADRM COc1ccc(C(=O)N[C@H](CO)C(=O)[O-])cc1S(C)(=O)=O ZINC001607205317 1018981420 /nfs/dbraw/zinc/98/14/20/1018981420.db2.gz FJFMSJRADXQDHW-MRVPVSSYSA-N -1 0 317.319 -0.726 20 0 DBADRM COc1cc(S(=O)(=O)N[C@@H](C)CC(N)=O)ccc1C(=O)[O-] ZINC001607190827 1018981742 /nfs/dbraw/zinc/98/17/42/1018981742.db2.gz PKOVVYKINNQADN-ZETCQYMHSA-N -1 0 316.335 -0.064 20 0 DBADRM COc1cccc(C(=O)NCC(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC001607305058 1018982729 /nfs/dbraw/zinc/98/27/29/1018982729.db2.gz RQPKVQBVWZYLEY-NSHDSACASA-N -1 0 310.306 -0.623 20 0 DBADRM COc1ccc(CN2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001607253594 1018982783 /nfs/dbraw/zinc/98/27/83/1018982783.db2.gz VVSKGDWGLHAJGL-QWRGUYRKSA-N -1 0 306.322 -0.494 20 0 DBADRM COc1cccc(OC)c1S(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001607327918 1018982954 /nfs/dbraw/zinc/98/29/54/1018982954.db2.gz CFUUFGGQIDERNE-UHFFFAOYSA-N -1 0 317.319 -0.476 20 0 DBADRM COc1ccc(CN2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001607253597 1018983704 /nfs/dbraw/zinc/98/37/04/1018983704.db2.gz VVSKGDWGLHAJGL-WDEREUQCSA-N -1 0 306.322 -0.494 20 0 DBADRM COc1ccc(COCC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cn1 ZINC001607260685 1018984177 /nfs/dbraw/zinc/98/41/77/1018984177.db2.gz HXJRNEJSWJUBNT-MNOVXSKESA-N -1 0 310.306 -0.347 20 0 DBADRM CS(=O)(=O)CCCC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001607369522 1018993740 /nfs/dbraw/zinc/99/37/40/1018993740.db2.gz GUMTWCOUQDXRTH-NSHDSACASA-N -1 0 307.368 -0.505 20 0 DBADRM COc1ccc(CN2CC[C@@H]2C(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC001607254408 1018984612 /nfs/dbraw/zinc/98/46/12/1018984612.db2.gz WYGPKICERPJUIX-CHWSQXEVSA-N -1 0 308.334 -0.169 20 0 DBADRM COc1cccc(CC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])n1 ZINC001607317536 1018984639 /nfs/dbraw/zinc/98/46/39/1018984639.db2.gz QEXDDXNPGNNFSG-SNVBAGLBSA-N -1 0 307.306 -0.614 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC001607251810 1018985425 /nfs/dbraw/zinc/98/54/25/1018985425.db2.gz FSTGFFTZWUCQEJ-SNVBAGLBSA-N -1 0 307.306 -0.361 20 0 DBADRM COc1cccc2ncn(CC(=O)NCCC(=O)[O-])c(=O)c21 ZINC001607335546 1018988356 /nfs/dbraw/zinc/98/83/56/1018988356.db2.gz YLLVMYILDKYREX-UHFFFAOYSA-N -1 0 305.290 -0.004 20 0 DBADRM COc1ncc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001607359938 1018989753 /nfs/dbraw/zinc/98/97/53/1018989753.db2.gz VMPZRLGBAUGMDB-UWVGGRQHSA-N -1 0 320.305 -0.854 20 0 DBADRM COc1nn(C)cc1NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001607362389 1018990067 /nfs/dbraw/zinc/99/00/67/1018990067.db2.gz NFBVIDVSANPZLK-QMMMGPOBSA-N -1 0 310.310 -0.310 20 0 DBADRM COc1nn(C)cc1C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001607362336 1018990483 /nfs/dbraw/zinc/99/04/83/1018990483.db2.gz LDPGFKZYCOWFQF-CYBMUJFWSA-N -1 0 307.310 -0.102 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001607362487 1018990808 /nfs/dbraw/zinc/99/08/08/1018990808.db2.gz SBPNXWIKMNHAKO-LBPRGKRZSA-N -1 0 314.273 -0.608 20 0 DBADRM COc1ncncc1NC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001607362250 1018991297 /nfs/dbraw/zinc/99/12/97/1018991297.db2.gz HGHPSVNPQAWOFY-VIFPVBQESA-N -1 0 323.309 -0.318 20 0 DBADRM COc1nsc(OC)c1C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001607363305 1018991434 /nfs/dbraw/zinc/99/14/34/1018991434.db2.gz MHKOKUNBLZFFDB-PHDIDXHHSA-N -1 0 302.308 -0.180 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCCN(Cc2cn(CC(=O)[O-])nn2)C1 ZINC001607366407 1018991985 /nfs/dbraw/zinc/99/19/85/1018991985.db2.gz FOSGZBJEEPKMSU-LLVKDONJSA-N -1 0 316.383 -0.238 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CCN(CC(=O)[O-])CC2)CCC1 ZINC001607365268 1018992002 /nfs/dbraw/zinc/99/20/02/1018992002.db2.gz LWNSYKTUIRASAI-UHFFFAOYSA-N -1 0 304.368 -0.818 20 0 DBADRM CS(=O)(=O)CC1(C(=O)NCc2ccoc2C(=O)[O-])COC1 ZINC001607366733 1018994060 /nfs/dbraw/zinc/99/40/60/1018994060.db2.gz MEVSNRSRMZGMFH-UHFFFAOYSA-N -1 0 317.319 -0.345 20 0 DBADRM CS(=O)(=O)CCCNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001607368736 1018994276 /nfs/dbraw/zinc/99/42/76/1018994276.db2.gz PNYRAFAXYRZHNQ-UHFFFAOYSA-N -1 0 316.335 -0.903 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607373384 1018996061 /nfs/dbraw/zinc/99/60/61/1018996061.db2.gz VTPPMVXXOOSLDK-IVZWLZJFSA-N -1 0 319.383 -0.712 20 0 DBADRM CS(=O)(=O)NC[C@@H]1COCCN1Cc1ccc(C(=O)[O-])[nH]1 ZINC001607373554 1018996091 /nfs/dbraw/zinc/99/60/91/1018996091.db2.gz ANOLSONGEKCVST-SNVBAGLBSA-N -1 0 317.367 -0.537 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001607371941 1018996620 /nfs/dbraw/zinc/99/66/20/1018996620.db2.gz LSBRDNMRODZINV-SKDRFNHKSA-N -1 0 320.367 -0.982 20 0 DBADRM Cc1cc(CC(=O)NC[C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])n[nH]1 ZINC001502108451 1018997179 /nfs/dbraw/zinc/99/71/79/1018997179.db2.gz NWSLXOHJYUZQLQ-MRVPVSSYSA-N -1 0 320.353 -0.068 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(C(=O)c2cc(C(=O)[O-])on2)C1 ZINC001607373995 1018997205 /nfs/dbraw/zinc/99/72/05/1018997205.db2.gz MMWAJQIEHBZILT-SSDOTTSWSA-N -1 0 317.323 -0.616 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC001607372818 1018997295 /nfs/dbraw/zinc/99/72/95/1018997295.db2.gz SKARNJIAEJWEKC-UHFFFAOYSA-N -1 0 313.335 -0.410 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NC[C@H](F)C(=O)[O-] ZINC001607372296 1018997350 /nfs/dbraw/zinc/99/73/50/1018997350.db2.gz VZNSIKPVROWVEH-SFYZADRCSA-N -1 0 311.335 -0.868 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1 ZINC001607372726 1018997664 /nfs/dbraw/zinc/99/76/64/1018997664.db2.gz OCALPDOGBAWJPM-CCMGBERRSA-N -1 0 317.367 -0.961 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])on2)C1 ZINC001607373996 1018997734 /nfs/dbraw/zinc/99/77/34/1018997734.db2.gz MMWAJQIEHBZILT-ZETCQYMHSA-N -1 0 317.323 -0.616 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)Cc1cncs1)C(=O)[O-] ZINC001607377290 1018998693 /nfs/dbraw/zinc/99/86/93/1018998693.db2.gz GWRXCMDNSXPYAZ-GZMMTYOYSA-N -1 0 318.376 -0.310 20 0 DBADRM CS(=O)(=O)c1ccc(N)c(C(=O)NCCOCC(=O)[O-])c1 ZINC001607381691 1018999181 /nfs/dbraw/zinc/99/91/81/1018999181.db2.gz ROAVNJZORXHZPH-UHFFFAOYSA-N -1 0 316.335 -0.497 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)nn1 ZINC001607381460 1018999350 /nfs/dbraw/zinc/99/93/50/1018999350.db2.gz FZFBGEONTLKEKZ-RQJHMYQMSA-N -1 0 315.307 -0.549 20 0 DBADRM CS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](O)C(=O)[O-])c1 ZINC001607381086 1018999479 /nfs/dbraw/zinc/99/94/79/1018999479.db2.gz MRHWHSPEHDWUBW-VIFPVBQESA-N -1 0 321.738 -0.081 20 0 DBADRM C[S@](=O)C1(CNC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CC1 ZINC001607384849 1018999649 /nfs/dbraw/zinc/99/96/49/1018999649.db2.gz LOHCTLOKWKWIEP-UZJPJQLHSA-N -1 0 318.395 -0.235 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CCn1cccn1)C(=O)[O-] ZINC001607377769 1018999724 /nfs/dbraw/zinc/99/97/24/1018999724.db2.gz RJPWKPBANMUWKI-JOYOIKCWSA-N -1 0 315.351 -0.723 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1cccc(F)n1)C(=O)[O-] ZINC001607376861 1018999794 /nfs/dbraw/zinc/99/97/94/1018999794.db2.gz HTZRWNALLCDCKY-QPUJVOFHSA-N -1 0 316.310 -0.162 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)C1(C(=O)[O-])CC1 ZINC001607375834 1019000350 /nfs/dbraw/zinc/00/03/50/1019000350.db2.gz ZXSWXCGCLWSXHN-RKDXNWHRSA-N -1 0 304.368 -0.315 20 0 DBADRM C[S@@](=O)c1ccc(CC(=O)OCC(=O)NCC(=O)[O-])cc1 ZINC001607385291 1019000904 /nfs/dbraw/zinc/00/09/04/1019000904.db2.gz HAMJRCCQDOLGAI-OAQYLSRUSA-N -1 0 313.331 -0.290 20 0 DBADRM CSCC[C@@H](O)C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001607396457 1019002295 /nfs/dbraw/zinc/00/22/95/1019002295.db2.gz FNXPDSNGMKONAS-DTWKUNHWSA-N -1 0 307.368 -0.177 20 0 DBADRM CS(C)(=O)=NCCNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001607387226 1019003153 /nfs/dbraw/zinc/00/31/53/1019003153.db2.gz DDOCZAUZUPGJER-UHFFFAOYSA-N -1 0 321.380 -0.214 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)C(=O)[O-] ZINC001607423959 1019003966 /nfs/dbraw/zinc/00/39/66/1019003966.db2.gz JRTFFKYYVAFFEA-QRTLGDNMSA-N -1 0 309.322 -0.264 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)c1cnn(C)n1 ZINC001607419414 1019004412 /nfs/dbraw/zinc/00/44/12/1019004412.db2.gz ZSBIOFLGZLQGGP-ZETCQYMHSA-N -1 0 305.298 -0.466 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)C[C@H]1CCOC1 ZINC001607419373 1019004954 /nfs/dbraw/zinc/00/49/54/1019004954.db2.gz XXJYDCDONUFJCD-VHSXEESVSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)CNS(=O)(=O)c1cccnc1 ZINC001607417728 1019005717 /nfs/dbraw/zinc/00/57/17/1019005717.db2.gz MBCCFIREOIEADR-QMMMGPOBSA-N -1 0 301.324 -0.661 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001607418877 1019005847 /nfs/dbraw/zinc/00/58/47/1019005847.db2.gz NKNFOGMAZMMZMY-VHSXEESVSA-N -1 0 307.354 -0.393 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001607400395 1019006041 /nfs/dbraw/zinc/00/60/41/1019006041.db2.gz ZZHYGFAAPHNRSJ-UFBFGSQYSA-N -1 0 319.383 -0.616 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@]23CCOC3)C[C@H]1CC(=O)[O-] ZINC001607428800 1019006432 /nfs/dbraw/zinc/00/64/32/1019006432.db2.gz NQRZDYTUYIBWAF-UEKVPHQBSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CF)C2)C[C@@H](C(=O)[O-])O1 ZINC001607428335 1019006472 /nfs/dbraw/zinc/00/64/72/1019006472.db2.gz IFKNSALNECJFLK-VWYCJHECSA-N -1 0 316.329 -0.105 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCS2)C[C@@H](C(=O)[O-])O1 ZINC001607427755 1019006830 /nfs/dbraw/zinc/00/68/30/1019006830.db2.gz ATXQVFSWSYHHEL-BBBLOLIVSA-N -1 0 316.379 -0.301 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCOC3(CCC3)C2)C[C@H]1C(=O)[O-] ZINC001607428952 1019006993 /nfs/dbraw/zinc/00/69/93/1019006993.db2.gz UMFVECMKNDPPNR-GHMZBOCLSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)[O-] ZINC001607424828 1019008045 /nfs/dbraw/zinc/00/80/45/1019008045.db2.gz ODVKYNHCBUDPHU-KCJUWKMLSA-N -1 0 321.289 -0.547 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2nccs2)C[C@@H](C(=O)[O-])O1 ZINC001607427537 1019008224 /nfs/dbraw/zinc/00/82/24/1019008224.db2.gz CIOYIAPPDQNOQW-SFYZADRCSA-N -1 0 313.335 -0.540 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CCO)C2)C[C@H]1C(=O)[O-] ZINC001607428039 1019008263 /nfs/dbraw/zinc/00/82/63/1019008263.db2.gz GOPUOFBBUFBSEO-GRYCIOLGSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(F)(F)F)C[C@@H](C(=O)[O-])O1 ZINC001607428452 1019008403 /nfs/dbraw/zinc/00/84/03/1019008403.db2.gz KKFJCMPBCGYABJ-RQJHMYQMSA-N -1 0 312.244 -0.245 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)C[C@@H](C(=O)[O-])O1 ZINC001607438804 1019008698 /nfs/dbraw/zinc/00/86/98/1019008698.db2.gz VHTYDQNCSLIQET-SVRRBLITSA-N -1 0 323.758 -0.064 20 0 DBADRM C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001607437166 1019009888 /nfs/dbraw/zinc/00/98/88/1019009888.db2.gz HGZUVGCBYPIXHE-VWYCJHECSA-N -1 0 306.384 -0.558 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)C2(C(=O)[O-])CCC2)CCS1(=O)=O ZINC001607438838 1019009969 /nfs/dbraw/zinc/00/99/69/1019009969.db2.gz ZERUWPGYCMBNLH-MRVPVSSYSA-N -1 0 311.381 -0.558 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC([C@H]3CCOC3)C2)C[C@H]1C(=O)[O-] ZINC001607429085 1019010263 /nfs/dbraw/zinc/01/02/63/1019010263.db2.gz VMGNQKUIDMFQNU-JFGNBEQYSA-N -1 0 310.350 -0.340 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]23CCOC3)C[C@@H](C(=O)[O-])O1 ZINC001607429047 1019010446 /nfs/dbraw/zinc/01/04/46/1019010446.db2.gz SOALKFGHUHDTRH-BFVZDQMLSA-N -1 0 312.322 -0.922 20 0 DBADRM C[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1CCNC(=O)C(N)=O ZINC001607439283 1019011637 /nfs/dbraw/zinc/01/16/37/1019011637.db2.gz CVJZOQOBVAKUPJ-RKDXNWHRSA-N -1 0 321.337 -0.761 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)O[C@H]1C(=O)[O-] ZINC001607439727 1019011664 /nfs/dbraw/zinc/01/16/64/1019011664.db2.gz MAYAFFAPSCGQMA-VFZGUZRASA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC2(CO)COC(C)(C)OC2)O[C@H]1C(=O)[O-] ZINC001607442774 1019011790 /nfs/dbraw/zinc/01/17/90/1019011790.db2.gz KNCOKECASRRZLW-OPRDCNLKSA-N -1 0 317.338 -0.505 20 0 DBADRM C[C@@H]1CN(c2nnnn2C[C@H]2C[C@@H]3COC[C@@H]3O2)C[C@H]1C(=O)[O-] ZINC001607440799 1019011915 /nfs/dbraw/zinc/01/19/15/1019011915.db2.gz LRMDZBOSXAFLOI-OOCWMUITSA-N -1 0 323.353 -0.366 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCC[C@H](S(C)(=O)=O)C2)O[C@H]1C(=O)[O-] ZINC001607439863 1019011957 /nfs/dbraw/zinc/01/19/57/1019011957.db2.gz XQPJAUBIRXEHCU-LMLFDSFASA-N -1 0 319.379 -0.100 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1c1nnnn1CCCN1CCOCC1 ZINC001607447806 1019012000 /nfs/dbraw/zinc/01/20/00/1019012000.db2.gz UCDUVGRQIRUYNV-AWEZNQCLSA-N -1 0 324.385 -0.161 20 0 DBADRM C[C@@H]1CN(c2nnnn2CC[C@@H]2CC(=O)N(C)C2)C[C@H]1C(=O)[O-] ZINC001607440103 1019012440 /nfs/dbraw/zinc/01/24/40/1019012440.db2.gz CUEARIQWDXNHBL-GMTAPVOTSA-N -1 0 322.369 -0.302 20 0 DBADRM C[C@@H]1CN(c2nnnn2[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1C(=O)[O-] ZINC001607440654 1019012745 /nfs/dbraw/zinc/01/27/45/1019012745.db2.gz JKECJIPZGXPIRU-FBIMIBRVSA-N -1 0 320.353 -0.234 20 0 DBADRM C[C@@H]1CN(Cc2nc3c(c(=O)[nH]2)COCC3)C[C@@H](C(=O)[O-])O1 ZINC001607439018 1019013049 /nfs/dbraw/zinc/01/30/49/1019013049.db2.gz SEUBZBWARFKCCV-KCJUWKMLSA-N -1 0 309.322 -0.071 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@H](CO)C[C@H]2CCCO2)O[C@H]1C(=O)[O-] ZINC001607441938 1019013298 /nfs/dbraw/zinc/01/32/98/1019013298.db2.gz ZIDDDHCHGLBPEV-IYKVGLELSA-N -1 0 301.339 -0.089 20 0 DBADRM C[C@@H]1C[C@H](C(=O)Nc2n[nH]nc2C(=O)NC2CC2)O[C@H]1C(=O)[O-] ZINC001607444073 1019013877 /nfs/dbraw/zinc/01/38/77/1019013877.db2.gz CPGUJHGRCTUCRF-SLBFFKMLSA-N -1 0 323.309 -0.486 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)O[C@H]1C(=O)[O-] ZINC001607439862 1019013988 /nfs/dbraw/zinc/01/39/88/1019013988.db2.gz XQPJAUBIRXEHCU-GWOFURMSSA-N -1 0 319.379 -0.100 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1ncccn1 ZINC001607454194 1019014411 /nfs/dbraw/zinc/01/44/11/1019014411.db2.gz VNQKWEXOCFAXGE-MRVPVSSYSA-N -1 0 302.294 -0.383 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(NC=O)cc1)C(=O)[O-] ZINC001607458636 1019015217 /nfs/dbraw/zinc/01/52/17/1019015217.db2.gz NSHHLYCJAAMNFV-IUCAKERBSA-N -1 0 307.306 -0.038 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001607454190 1019015329 /nfs/dbraw/zinc/01/53/29/1019015329.db2.gz VKFBRVXUENLXHF-KOLCDFICSA-N -1 0 323.353 -0.578 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1COC[C@@H]1C1CC1)C(=O)[O-] ZINC001607458013 1019015478 /nfs/dbraw/zinc/01/54/78/1019015478.db2.gz BRDJDKALKHDWRX-OINDSLJFSA-N -1 0 313.354 -0.312 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N(C)CC1(O)CCC1)C(=O)[O-] ZINC001607458204 1019015717 /nfs/dbraw/zinc/01/57/17/1019015717.db2.gz HKWYVCHSLXETRP-IUCAKERBSA-N -1 0 301.343 -0.479 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)Cc1cnn(C)c1 ZINC001607454229 1019015794 /nfs/dbraw/zinc/01/57/94/1019015794.db2.gz XIHXMGBSSYSGMW-SECBINFHSA-N -1 0 318.337 -0.511 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1cccnc1 ZINC001607453773 1019015867 /nfs/dbraw/zinc/01/58/67/1019015867.db2.gz ONNKEBOTSSAJKY-CMPLNLGQSA-N -1 0 321.333 -0.039 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1cccnc1 ZINC001607453774 1019015886 /nfs/dbraw/zinc/01/58/86/1019015886.db2.gz ONNKEBOTSSAJKY-JQWIXIFHSA-N -1 0 321.333 -0.039 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H]1COC[C@H]1C1CC1)C(=O)[O-] ZINC001607458014 1019016096 /nfs/dbraw/zinc/01/60/96/1019016096.db2.gz BRDJDKALKHDWRX-UUTMEEIUSA-N -1 0 313.354 -0.312 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1CN(C)CCO1 ZINC001607454191 1019016128 /nfs/dbraw/zinc/01/61/28/1019016128.db2.gz VKFBRVXUENLXHF-MWLCHTKSSA-N -1 0 323.353 -0.578 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CCc2cncn2C1)C(=O)[O-] ZINC001607458791 1019016455 /nfs/dbraw/zinc/01/64/55/1019016455.db2.gz QZSAWRLROIWSJH-GUBZILKMSA-N -1 0 308.338 -0.461 20 0 DBADRM C[C@H]1CC[C@H](O)CN1C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001607465485 1019016981 /nfs/dbraw/zinc/01/69/81/1019016981.db2.gz XTZJBSYBPBVLOA-YUMQZZPRSA-N -1 0 310.310 -0.571 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1 ZINC001607460274 1019018078 /nfs/dbraw/zinc/01/80/78/1019018078.db2.gz FZRZZMWCGUOAIK-QWRGUYRKSA-N -1 0 323.349 -0.127 20 0 DBADRM C[C@H](O)C1CCN(C(=O)C(=O)NCCCCC(=O)[O-])CC1 ZINC001607462029 1019018383 /nfs/dbraw/zinc/01/83/83/1019018383.db2.gz LQMRAFRWFDXCRF-JTQLQIEISA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCC2(C3CC3)CC2)C[C@@H](C(=O)[O-])O1 ZINC001607468224 1019019617 /nfs/dbraw/zinc/01/96/17/1019019617.db2.gz UBLMXDXWTCUHPN-ONGXEEELSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@H]1CN(C(=O)NCCOC[C@@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001607469467 1019019823 /nfs/dbraw/zinc/01/98/23/1019019823.db2.gz ANGLFBHSPXAHJG-TUAOUCFPSA-N -1 0 316.354 -0.077 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C[C@@H](C(=O)[O-])O1 ZINC001607467955 1019019859 /nfs/dbraw/zinc/01/98/59/1019019859.db2.gz ADUQAXCIJJBZNI-SBMIAAHKSA-N -1 0 308.338 -0.380 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2COCCN2CC(F)F)C[C@@H](C(=O)[O-])O1 ZINC001607468198 1019019894 /nfs/dbraw/zinc/01/98/94/1019019894.db2.gz HERUEOQLDHUUDK-AEJSXWLSSA-N -1 0 322.308 -0.347 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@]1(C)C(=O)[O-] ZINC001607468898 1019020737 /nfs/dbraw/zinc/02/07/37/1019020737.db2.gz HMZVQWGWWXGGFM-GWCFXTLKSA-N -1 0 318.395 -0.019 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC=C(F)C2)C[C@@H](C(=O)[O-])O1 ZINC001607467265 1019021358 /nfs/dbraw/zinc/02/13/58/1019021358.db2.gz UCFXSLUWGQUKHW-WPRPVWTQSA-N -1 0 300.286 -0.227 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@]1(C)C(=O)[O-] ZINC001607469369 1019021467 /nfs/dbraw/zinc/02/14/67/1019021467.db2.gz VLBCXSHRLBCITK-CABZTGNLSA-N -1 0 304.368 -0.409 20 0 DBADRM C[C@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@@H](C(=O)[O-])O1 ZINC001607471002 1019021576 /nfs/dbraw/zinc/02/15/76/1019021576.db2.gz HGMPAVYBZJZUFL-UWVGGRQHSA-N -1 0 320.305 -0.804 20 0 DBADRM Cc1[nH]ccc1C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001607499556 1019021910 /nfs/dbraw/zinc/02/19/10/1019021910.db2.gz ODYRVLALRLVHSP-VIFPVBQESA-N -1 0 319.321 -0.564 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CC2(N(C)C)CC2)C[C@@H](C(=O)[O-])O1 ZINC001607478371 1019022054 /nfs/dbraw/zinc/02/20/54/1019022054.db2.gz JIFWIVPQJHZDEE-UWVGGRQHSA-N -1 0 306.384 -0.416 20 0 DBADRM C[C@H]1CN(Cc2cn(-c3ccn(C)n3)nn2)C[C@@H](C(=O)[O-])O1 ZINC001607477104 1019022201 /nfs/dbraw/zinc/02/22/01/1019022201.db2.gz WHTUOEDQIYCJNA-ONGXEEELSA-N -1 0 306.326 -0.325 20 0 DBADRM C[C@]12CN(C(=O)NC[C@H](F)C(=O)[O-])C[C@H]1CS(=O)(=O)C2 ZINC001607481569 1019023294 /nfs/dbraw/zinc/02/32/94/1019023294.db2.gz KGQRMGQCZSDXNY-DKCNOQQISA-N -1 0 308.331 -0.515 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)C[C@@H](C(=O)[O-])O1 ZINC001607479204 1019023944 /nfs/dbraw/zinc/02/39/44/1019023944.db2.gz VHTYDQNCSLIQET-XPUUQOCRSA-N -1 0 323.758 -0.064 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001607484078 1019024243 /nfs/dbraw/zinc/02/42/43/1019024243.db2.gz SNBSBNRVPBROCR-WCBMZHEXSA-N -1 0 311.294 -0.825 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cnc(Cl)n2C)C[C@@H](C(=O)[O-])O1 ZINC001607478883 1019024281 /nfs/dbraw/zinc/02/42/81/1019024281.db2.gz CPVCOHFQXJNPGF-BQBZGAKWSA-N -1 0 323.758 -0.064 20 0 DBADRM C[C@H]1CN(c2nnc(CS(C)(=O)=O)n2C)C[C@]1(C)C(=O)[O-] ZINC001607481479 1019024613 /nfs/dbraw/zinc/02/46/13/1019024613.db2.gz YIURDHFNDXNSPM-UFBFGSQYSA-N -1 0 316.383 -0.093 20 0 DBADRM Cc1c(C(=O)NC[C@@H](O)CC(=O)[O-])nnn1Cc1ccncc1 ZINC001607508230 1019026391 /nfs/dbraw/zinc/02/63/91/1019026391.db2.gz MRUWKFQALLXQLH-NSHDSACASA-N -1 0 319.321 -0.405 20 0 DBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCC1(CO)COC1 ZINC001607518001 1019027459 /nfs/dbraw/zinc/02/74/59/1019027459.db2.gz VXJOFLBEFOGJIE-UHFFFAOYSA-N -1 0 315.347 -0.020 20 0 DBADRM Cc1c[nH]nc1C(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001607556417 1019027999 /nfs/dbraw/zinc/02/79/99/1019027999.db2.gz HOKFLEZZVPJPQZ-MRVPVSSYSA-N -1 0 304.310 -0.141 20 0 DBADRM Cc1c(CN(C)C(=O)C(=O)NC[C@H](F)C(=O)[O-])cnn1C ZINC001607527930 1019028369 /nfs/dbraw/zinc/02/83/69/1019028369.db2.gz NNQSJCVGBDQUKO-VIFPVBQESA-N -1 0 300.290 -0.774 20 0 DBADRM Cc1c[nH]nc1C(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001607556418 1019029937 /nfs/dbraw/zinc/02/99/37/1019029937.db2.gz HOKFLEZZVPJPQZ-QMMMGPOBSA-N -1 0 304.310 -0.141 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H](C)CCCO)cnn1CC(=O)[O-] ZINC001607536304 1019029964 /nfs/dbraw/zinc/02/99/64/1019029964.db2.gz FMXKXZAZEXQBJP-QMMMGPOBSA-N -1 0 312.326 -0.508 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cnn1C ZINC001607527893 1019030148 /nfs/dbraw/zinc/03/01/48/1019030148.db2.gz LEZMUCVSNSHFFP-AWEZNQCLSA-N -1 0 308.338 -0.332 20 0 DBADRM Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cnn1 ZINC001607579029 1019030652 /nfs/dbraw/zinc/03/06/52/1019030652.db2.gz CMZSPVFNNQMAPR-VXGBXAGGSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n(C)n1 ZINC001607581073 1019030962 /nfs/dbraw/zinc/03/09/62/1019030962.db2.gz AEUFCDDWJFKCRD-LMLFDSFASA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cnn1 ZINC001607579028 1019032106 /nfs/dbraw/zinc/03/21/06/1019032106.db2.gz CMZSPVFNNQMAPR-RYUDHWBXSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c(C)nn1 ZINC001607569236 1019032283 /nfs/dbraw/zinc/03/22/83/1019032283.db2.gz DYAWIMSXANXYID-RYUDHWBXSA-N -1 0 318.333 -0.245 20 0 DBADRM Cc1cc(C(=O)[O-])nc(NCCOCCS(C)(=O)=O)n1 ZINC001607600348 1019033243 /nfs/dbraw/zinc/03/32/43/1019033243.db2.gz NPRYHRKVBOJTIJ-UHFFFAOYSA-N -1 0 303.340 -0.044 20 0 DBADRM Cc1cc(C=O)c(O)c(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC001607633700 1019033368 /nfs/dbraw/zinc/03/33/68/1019033368.db2.gz SKIHMWIZFKVANO-LLVKDONJSA-N -1 0 320.301 -0.072 20 0 DBADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(=O)N(CCO)CCO ZINC001607613279 1019033424 /nfs/dbraw/zinc/03/34/24/1019033424.db2.gz BXHTTYOIHVFPOB-UHFFFAOYSA-N -1 0 324.333 -0.247 20 0 DBADRM Cc1cc(C[C@H](C)NS(=O)(=O)N(C)CCC(=O)[O-])[nH]n1 ZINC001607637590 1019034014 /nfs/dbraw/zinc/03/40/14/1019034014.db2.gz JHSMOFYIQNFWOF-VIFPVBQESA-N -1 0 304.372 -0.110 20 0 DBADRM Cc1cc([C@@H](NC(=O)Cn2ncn(C)c2=O)C(=O)[O-])ccc1F ZINC001607615845 1019033735 /nfs/dbraw/zinc/03/37/35/1019033735.db2.gz ZWMWSRZYLSQTBF-GFCCVEGCSA-N -1 0 322.296 -0.029 20 0 DBADRM Cc1cc(CN2CCN(CN3C[C@@H](C(=O)[O-])CC3=O)CC2)no1 ZINC001607640898 1019034079 /nfs/dbraw/zinc/03/40/79/1019034079.db2.gz DMEKCGYGIWWRJY-LBPRGKRZSA-N -1 0 322.365 -0.009 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)n[nH]1 ZINC001607641981 1019034150 /nfs/dbraw/zinc/03/41/50/1019034150.db2.gz XVUUFNBFJMLYSO-JTQLQIEISA-N -1 0 310.310 -0.964 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CCCNC(=O)C1 ZINC001607595630 1019035341 /nfs/dbraw/zinc/03/53/41/1019035341.db2.gz MYGDUVVATKBOOQ-UHFFFAOYSA-N -1 0 319.317 -0.020 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2=O)n(C)n1 ZINC001607669864 1019036630 /nfs/dbraw/zinc/03/66/30/1019036630.db2.gz RDDKBNRQYLUQPZ-IVZWLZJFSA-N -1 0 306.322 -0.329 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)no1 ZINC001607654031 1019037016 /nfs/dbraw/zinc/03/70/16/1019037016.db2.gz YCRYOXHWBLFFNT-LLVKDONJSA-N -1 0 318.351 -0.030 20 0 DBADRM Cc1cc(COCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])on1 ZINC001607651601 1019037193 /nfs/dbraw/zinc/03/71/93/1019037193.db2.gz YGQLUUHKSUGRBN-JTQLQIEISA-N -1 0 311.294 -0.699 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)c(C(=O)[O-])[nH]1 ZINC001607672252 1019037820 /nfs/dbraw/zinc/03/78/20/1019037820.db2.gz YTGJBYHLHHYKIU-CQSZACIVSA-N -1 0 322.321 -0.316 20 0 DBADRM Cc1cc[nH]c1C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607713667 1019038748 /nfs/dbraw/zinc/03/87/48/1019038748.db2.gz LGEXVVCSAISZFA-UWVGGRQHSA-N -1 0 321.333 -0.653 20 0 DBADRM Cc1ccc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001607730022 1019039009 /nfs/dbraw/zinc/03/90/09/1019039009.db2.gz AJDMSYNNXYQCBX-NXEZZACHSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cnc1N ZINC001607702885 1019039248 /nfs/dbraw/zinc/03/92/48/1019039248.db2.gz LEDZUPREFRUVQT-SCZZXKLOSA-N -1 0 315.351 -0.165 20 0 DBADRM Cc1ccc(-c2nnn(CC(=O)N[C@H](CO)C(=O)[O-])n2)cc1 ZINC001607720289 1019039328 /nfs/dbraw/zinc/03/93/28/1019039328.db2.gz CZDVSLVYPXBFED-SNVBAGLBSA-N -1 0 305.294 -0.790 20 0 DBADRM Cc1cc2c(cc1NC(=O)C(=O)NCCOCC(=O)[O-])OCO2 ZINC001607711966 1019039687 /nfs/dbraw/zinc/03/96/87/1019039687.db2.gz SAOSDWOMCURYSE-UHFFFAOYSA-N -1 0 324.289 -0.120 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N(CCO)CCCO ZINC001607737968 1019041202 /nfs/dbraw/zinc/04/12/02/1019041202.db2.gz MKGPKICBDAZRDG-UHFFFAOYSA-N -1 0 324.333 -0.165 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1C[C@H](O)C[C@H]1C(N)=O ZINC001607740875 1019041239 /nfs/dbraw/zinc/04/12/39/1019041239.db2.gz CFAYSPDZZBTEMS-PWSUYJOCSA-N -1 0 321.333 -0.448 20 0 DBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CCNC(=O)CO ZINC001607701221 1019041278 /nfs/dbraw/zinc/04/12/78/1019041278.db2.gz SFYCVJJLOSPJEP-UHFFFAOYSA-N -1 0 310.306 -0.104 20 0 DBADRM Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC001607822325 1019041871 /nfs/dbraw/zinc/04/18/71/1019041871.db2.gz TUGKCBYHIAHKQC-XCBNKYQSSA-N -1 0 316.335 -0.794 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001607781822 1019042570 /nfs/dbraw/zinc/04/25/70/1019042570.db2.gz XXLIJFNGUFEEST-NWDGAFQWSA-N -1 0 321.333 -0.700 20 0 DBADRM Cc1ccc(CNC(=O)NCC(=O)NC[C@H](O)CC(=O)[O-])cc1 ZINC001607782971 1019043097 /nfs/dbraw/zinc/04/30/97/1019043097.db2.gz VMYOAFQRXKICCA-GFCCVEGCSA-N -1 0 323.349 -0.254 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])cc1C(N)=O ZINC001607820690 1019043511 /nfs/dbraw/zinc/04/35/11/1019043511.db2.gz QOXPLPOCXUSEJX-VIFPVBQESA-N -1 0 304.299 -0.205 20 0 DBADRM Cc1ccccc1[C@H](CC(=O)NC[C@H](O)C(=O)[O-])NC(N)=O ZINC001607874706 1019045567 /nfs/dbraw/zinc/04/55/67/1019045567.db2.gz CFBKGUJLIGLRDX-QWRGUYRKSA-N -1 0 309.322 -0.344 20 0 DBADRM Cc1ccnc(NCCN(CCO)C(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001607895246 1019045885 /nfs/dbraw/zinc/04/58/85/1019045885.db2.gz PABWPEKJDHKQPD-GHMZBOCLSA-N -1 0 308.338 -0.261 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(=O)c1 ZINC001607892377 1019046334 /nfs/dbraw/zinc/04/63/34/1019046334.db2.gz XQJZUGCHQWHBEV-ABAIWWIYSA-N -1 0 324.333 -0.780 20 0 DBADRM Cc1ccnc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001607893575 1019046510 /nfs/dbraw/zinc/04/65/10/1019046510.db2.gz SBAFAQUSAJXNHO-UWVGGRQHSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607898892 1019046857 /nfs/dbraw/zinc/04/68/57/1019046857.db2.gz HRPQRJDNIPHISD-BJDJZHNGSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1cnc(COCC(=O)NCCn2cc(C(=O)[O-])nn2)o1 ZINC001607908229 1019048127 /nfs/dbraw/zinc/04/81/27/1019048127.db2.gz IWPRPLBMNRQWFF-UHFFFAOYSA-N -1 0 309.282 -0.394 20 0 DBADRM Cc1cncc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1 ZINC001607911917 1019048148 /nfs/dbraw/zinc/04/81/48/1019048148.db2.gz YBBKFCLZDXSXTI-GHMZBOCLSA-N -1 0 300.336 -0.011 20 0 DBADRM Cc1cncc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c1 ZINC001607911925 1019048224 /nfs/dbraw/zinc/04/82/24/1019048224.db2.gz YBBKFCLZDXSXTI-MNOVXSKESA-N -1 0 300.336 -0.011 20 0 DBADRM Cc1cnc2c(C(=O)NCCC(=O)NCCC(=O)[O-])cnn2c1 ZINC001607908958 1019049957 /nfs/dbraw/zinc/04/99/57/1019049957.db2.gz BNITXQJBYWBNLO-UHFFFAOYSA-N -1 0 319.321 -0.251 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@H](O)CN1CCCC1=O ZINC001607920649 1019050333 /nfs/dbraw/zinc/05/03/33/1019050333.db2.gz XTHOWEWEGMGTOF-JTQLQIEISA-N -1 0 324.333 -0.072 20 0 DBADRM Cc1cnoc1C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001607918889 1019050802 /nfs/dbraw/zinc/05/08/02/1019050802.db2.gz YUSZLOFOXAHBAW-MRVPVSSYSA-N -1 0 321.293 -0.904 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCc2nncn2C)c1C(=O)[O-] ZINC001607938709 1019051010 /nfs/dbraw/zinc/05/10/10/1019051010.db2.gz UUMJYQQTDYYQKT-UHFFFAOYSA-N -1 0 300.300 -0.977 20 0 DBADRM Cc1cnn(Cc2cc(C(=O)N[C@@]3(C(=O)[O-])C[C@@H](O)C3)no2)c1 ZINC001607917774 1019051068 /nfs/dbraw/zinc/05/10/68/1019051068.db2.gz BHYXLCPKKQRFGV-DEZZCRIOSA-N -1 0 320.305 -0.064 20 0 DBADRM Cc1conc1NC(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001607923043 1019052005 /nfs/dbraw/zinc/05/20/05/1019052005.db2.gz PSLKYYUOCARIFK-UHFFFAOYSA-N -1 0 312.282 -0.981 20 0 DBADRM Cc1coc(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC001607918265 1019052629 /nfs/dbraw/zinc/05/26/29/1019052629.db2.gz NVAZJJUGLYTPLB-MNOVXSKESA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1csc(NC(=O)C(=O)NC(C)(CO)CO)c1C(=O)[O-] ZINC001607931224 1019052843 /nfs/dbraw/zinc/05/28/43/1019052843.db2.gz WJUDTFYNHGGYSA-UHFFFAOYSA-N -1 0 316.335 -0.447 20 0 DBADRM Cc1nc(C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c[nH]1 ZINC001607943569 1019053993 /nfs/dbraw/zinc/05/39/93/1019053993.db2.gz BIYLQEBCBZSWLO-VHSXEESVSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N(CC(=O)[O-])C3CC3)nn2)no1 ZINC001607961238 1019054147 /nfs/dbraw/zinc/05/41/47/1019054147.db2.gz KUOSMQIVBLNBBN-UHFFFAOYSA-N -1 0 306.282 -0.293 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)nn2)no1 ZINC001607961529 1019054949 /nfs/dbraw/zinc/05/49/49/1019054949.db2.gz QVIQHAQQBFDAJW-VXNVDRBHSA-N -1 0 320.309 -0.189 20 0 DBADRM Cc1nc(CS(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)no1 ZINC001607959934 1019055459 /nfs/dbraw/zinc/05/54/59/1019055459.db2.gz MZNJRMPIIUJHAR-UHFFFAOYSA-N -1 0 305.312 -0.977 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607940729 1019055719 /nfs/dbraw/zinc/05/57/19/1019055719.db2.gz JCMBIVSMNNEMMA-RGOKHQFPSA-N -1 0 321.337 -0.542 20 0 DBADRM Cc1ncc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1C(N)=O ZINC001607980022 1019057325 /nfs/dbraw/zinc/05/73/25/1019057325.db2.gz DMAAUGCDENVNNC-CYBMUJFWSA-N -1 0 308.294 -0.458 20 0 DBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N[C@@H](CO)C(=O)[O-] ZINC001607969451 1019057715 /nfs/dbraw/zinc/05/77/15/1019057715.db2.gz MSLCEQJDYLZTCV-VIFPVBQESA-N -1 0 322.321 -0.605 20 0 DBADRM Cc1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c(C)n1 ZINC001607975514 1019058530 /nfs/dbraw/zinc/05/85/30/1019058530.db2.gz CPGGAYLULBGKFE-MNOVXSKESA-N -1 0 318.333 -0.245 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)NC(C)(C)C(=O)[O-] ZINC001607976953 1019059245 /nfs/dbraw/zinc/05/92/45/1019059245.db2.gz UNTWIYLWXQYVRE-UHFFFAOYSA-N -1 0 306.326 -0.155 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)NCCC(=O)NCCC(=O)[O-])C2 ZINC001607974149 1019059265 /nfs/dbraw/zinc/05/92/65/1019059265.db2.gz BQWMJXRPDZNGAU-UHFFFAOYSA-N -1 0 324.341 -0.907 20 0 DBADRM Cc1nccn1CC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001607990785 1019060199 /nfs/dbraw/zinc/06/01/99/1019060199.db2.gz NSIJDAQBHVPHIM-UHFFFAOYSA-N -1 0 315.351 -0.660 20 0 DBADRM Cc1nccnc1N1CCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC001607990705 1019060393 /nfs/dbraw/zinc/06/03/93/1019060393.db2.gz NTUWHCXVKPNNOJ-UHFFFAOYSA-N -1 0 323.353 -0.282 20 0 DBADRM Cc1ncncc1C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001607991019 1019060667 /nfs/dbraw/zinc/06/06/67/1019060667.db2.gz SZCYGNBGBWZGGP-VHSXEESVSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1ncn(C)c1C(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001607990997 1019061047 /nfs/dbraw/zinc/06/10/47/1019061047.db2.gz RSABSSHHSIUROM-QMMMGPOBSA-N -1 0 318.337 -0.131 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CC(CO)(CO)C2)cc1C(=O)[O-] ZINC001607984153 1019061297 /nfs/dbraw/zinc/06/12/97/1019061297.db2.gz UCJXSLMTCFLOHY-UHFFFAOYSA-N -1 0 316.335 -0.936 20 0 DBADRM Cc1ncccc1CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001607988948 1019061350 /nfs/dbraw/zinc/06/13/50/1019061350.db2.gz PBUNYONHPRYSMM-LLVKDONJSA-N -1 0 312.347 -0.357 20 0 DBADRM Cc1nccc(C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)n1 ZINC001607987710 1019061503 /nfs/dbraw/zinc/06/15/03/1019061503.db2.gz PFHSKWZYKYHQTL-UHFFFAOYSA-N -1 0 316.321 -0.121 20 0 DBADRM Cc1nn(C)cc1C(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608005798 1019063767 /nfs/dbraw/zinc/06/37/67/1019063767.db2.gz YYRUAYYLVFHCHU-ZJUUUORDSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1nn(CCO)c2ncc(C(=O)O[C@@H](C)C(=O)C(=O)[O-])cc12 ZINC001608008907 1019064344 /nfs/dbraw/zinc/06/43/44/1019064344.db2.gz AJVOBSLHCDBQQZ-QMMMGPOBSA-N -1 0 321.289 -0.069 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)C[C@@H]1CCNC1=O ZINC001608003862 1019065117 /nfs/dbraw/zinc/06/51/17/1019065117.db2.gz BOGLTINWHKWYCH-JTQLQIEISA-N -1 0 308.338 -0.273 20 0 DBADRM Cc1noc(C)c1CN1CCN([C@@H](C)C(=O)NCC(=O)[O-])CC1 ZINC001608023029 1019066034 /nfs/dbraw/zinc/06/60/34/1019066034.db2.gz HXTFGBFGFXMGPS-NSHDSACASA-N -1 0 324.381 -0.002 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@@H](CF)C(=O)[O-] ZINC001608023499 1019066277 /nfs/dbraw/zinc/06/62/77/1019066277.db2.gz JYFYASJWSVVPLF-ZETCQYMHSA-N -1 0 323.302 -0.891 20 0 DBADRM Cc1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])o1 ZINC001608016739 1019066562 /nfs/dbraw/zinc/06/65/62/1019066562.db2.gz VGAUEBVIANEPGI-ULHKAFAUSA-N -1 0 306.322 -0.355 20 0 DBADRM Cc1noc(C2CC2)c1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001608024718 1019067291 /nfs/dbraw/zinc/06/72/91/1019067291.db2.gz IENRZZWPXVOEOU-MRVPVSSYSA-N -1 0 311.294 -0.249 20 0 DBADRM Cc1noc(C)c1CN1CCN([C@H](C)C(=O)NCC(=O)[O-])CC1 ZINC001608023028 1019067398 /nfs/dbraw/zinc/06/73/98/1019067398.db2.gz HXTFGBFGFXMGPS-LLVKDONJSA-N -1 0 324.381 -0.002 20 0 DBADRM Cc1nnccc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001608018582 1019067852 /nfs/dbraw/zinc/06/78/52/1019067852.db2.gz WZAVNJSQUNFCFR-XCBNKYQSSA-N -1 0 308.294 -0.576 20 0 DBADRM Cc1nnc2ccc(C(=O)NCCC(=O)NCCC(=O)[O-])cn12 ZINC001608017043 1019067868 /nfs/dbraw/zinc/06/78/68/1019067868.db2.gz BJTITZXVTMGBOW-UHFFFAOYSA-N -1 0 319.321 -0.251 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)n1 ZINC001608026031 1019067982 /nfs/dbraw/zinc/06/79/82/1019067982.db2.gz LQHAWFJYHCKGSW-APPZFPTMSA-N -1 0 310.310 -0.342 20 0 DBADRM Cc1nonc1C(=O)NCC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608031502 1019068779 /nfs/dbraw/zinc/06/87/79/1019068779.db2.gz VMAQDBVXWRUOTM-IUCAKERBSA-N -1 0 308.294 -0.713 20 0 DBADRM Cc1nocc1S(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001608030838 1019069008 /nfs/dbraw/zinc/06/90/08/1019069008.db2.gz HZLWJQJTQMSHIN-QMMMGPOBSA-N -1 0 317.323 -0.663 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)N(CCO)CCOCCO ZINC001608032637 1019069368 /nfs/dbraw/zinc/06/93/68/1019069368.db2.gz ORYXVFBNVUVMMC-UHFFFAOYSA-N -1 0 301.295 -0.270 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)NC1CCN(CC(N)=O)CC1 ZINC001608034596 1019069446 /nfs/dbraw/zinc/06/94/46/1019069446.db2.gz PMDGOTCBWFCPEH-UHFFFAOYSA-N -1 0 309.322 -0.034 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)NC[C@@H](O)CN1CCCC1=O ZINC001608036572 1019069639 /nfs/dbraw/zinc/06/96/39/1019069639.db2.gz ZAQJJMAFURMRGE-SECBINFHSA-N -1 0 310.306 -0.001 20 0 DBADRM Cc1oc(CNC(=O)C(=O)Nc2cn(C)nn2)cc1C(=O)[O-] ZINC001608047596 1019069856 /nfs/dbraw/zinc/06/98/56/1019069856.db2.gz ZRAHSOIAJSLPOO-UHFFFAOYSA-N -1 0 307.266 -0.330 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N[C@@H]2CCN(C)C2=O)cc1C(=O)[O-] ZINC001608049993 1019069977 /nfs/dbraw/zinc/06/99/77/1019069977.db2.gz ITMGFEYYFRKOHM-SNVBAGLBSA-N -1 0 323.305 -0.751 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001608035992 1019070321 /nfs/dbraw/zinc/07/03/21/1019070321.db2.gz CKQZEEKRYHUUGR-UHFFFAOYSA-N -1 0 316.335 -0.093 20 0 DBADRM Cc1nonc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001608031503 1019070376 /nfs/dbraw/zinc/07/03/76/1019070376.db2.gz VMAQDBVXWRUOTM-RKDXNWHRSA-N -1 0 308.294 -0.713 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC(O)(c2ncnn2C)C1 ZINC001608032388 1019070414 /nfs/dbraw/zinc/07/04/14/1019070414.db2.gz CRNHCKFEIJBKOW-UHFFFAOYSA-N -1 0 306.278 -0.242 20 0 DBADRM Cc1oc(C(=O)NC[C@H](O)C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC001608032216 1019070485 /nfs/dbraw/zinc/07/04/85/1019070485.db2.gz RJMVSHWSYFKUME-ZETCQYMHSA-N -1 0 320.323 -0.986 20 0 DBADRM Cc1nonc1CC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001608030801 1019071014 /nfs/dbraw/zinc/07/10/14/1019071014.db2.gz GBIRAZVKSFDHNQ-MRVPVSSYSA-N -1 0 306.282 -0.316 20 0 DBADRM Cc1oc(S(=O)(=O)NC[C@@H]2COCCN2C)cc1C(=O)[O-] ZINC001608057117 1019072455 /nfs/dbraw/zinc/07/24/55/1019072455.db2.gz VPILOXCOVAWTMA-SECBINFHSA-N -1 0 318.351 -0.105 20 0 DBADRM Cc1oc(S(=O)(=O)NC[C@@H]2CCC(=O)N2)cc1C(=O)[O-] ZINC001608057158 1019072535 /nfs/dbraw/zinc/07/25/35/1019072535.db2.gz XOLTVIHQBLJWSU-ZETCQYMHSA-N -1 0 302.308 -0.157 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@](C)(CC(=O)[O-])C2CC2)c1=O ZINC001608077762 1019073179 /nfs/dbraw/zinc/07/31/79/1019073179.db2.gz HYHIRXHBIDZBHR-CQSZACIVSA-N -1 0 309.322 -0.693 20 0 DBADRM Cc1oc(S(=O)(=O)NC[C@H]2COCCN2C)cc1C(=O)[O-] ZINC001608057118 1019073263 /nfs/dbraw/zinc/07/32/63/1019073263.db2.gz VPILOXCOVAWTMA-VIFPVBQESA-N -1 0 318.351 -0.105 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)OCCn1cc(C(N)=O)cn1 ZINC001608083215 1019074387 /nfs/dbraw/zinc/07/43/87/1019074387.db2.gz ALDLNXXMKUTMLB-UHFFFAOYSA-N -1 0 306.278 -0.124 20 0 DBADRM Cn1c(=O)c2ccccc2cc1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001608080646 1019074429 /nfs/dbraw/zinc/07/44/29/1019074429.db2.gz MHFVEMWZNHOJTC-UHFFFAOYSA-N -1 0 302.286 -0.190 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NCCC1CS(=O)(=O)C1 ZINC001608082350 1019074663 /nfs/dbraw/zinc/07/46/63/1019074663.db2.gz KAIDLKGKRKGCKO-UHFFFAOYSA-N -1 0 300.336 -0.112 20 0 DBADRM Cn1c(CC(=O)NC[C@H](O)C(=O)[O-])nnc1-c1ccccc1 ZINC001608086641 1019075505 /nfs/dbraw/zinc/07/55/05/1019075505.db2.gz BOSCXMXFWNYUAB-JTQLQIEISA-N -1 0 304.306 -0.414 20 0 DBADRM Cn1c(=O)cc(COC(=O)c2ccnc(C(=O)[O-])c2)n(C)c1=O ZINC001608090575 1019075984 /nfs/dbraw/zinc/07/59/84/1019075984.db2.gz YHLXNXBLDXFQFL-UHFFFAOYSA-N -1 0 319.273 -0.466 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC001608084194 1019076139 /nfs/dbraw/zinc/07/61/39/1019076139.db2.gz YAXFBNNBECWDRU-VXGBXAGGSA-N -1 0 321.333 -0.157 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC001608084190 1019076364 /nfs/dbraw/zinc/07/63/64/1019076364.db2.gz YAXFBNNBECWDRU-NWDGAFQWSA-N -1 0 321.333 -0.157 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2CC[C@]3(CNC(=O)C3)C2)n1 ZINC001608099391 1019077076 /nfs/dbraw/zinc/07/70/76/1019077076.db2.gz SQRJQJXMHDVLJH-ZDUSSCGKSA-N -1 0 307.310 -0.138 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N(CCO)CC(F)F ZINC001608100496 1019077103 /nfs/dbraw/zinc/07/71/03/1019077103.db2.gz WMVANMCNFUJZCI-UHFFFAOYSA-N -1 0 312.294 -0.029 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](O)C(F)(F)F ZINC001608100608 1019077289 /nfs/dbraw/zinc/07/72/89/1019077289.db2.gz BHIRMTQESFCAMT-ZCFIWIBFSA-N -1 0 316.257 -0.075 20 0 DBADRM Cn1cc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])ccc1=O ZINC001608098686 1019077439 /nfs/dbraw/zinc/07/74/39/1019077439.db2.gz UWLLPNKQOOSBJA-SNVBAGLBSA-N -1 0 310.306 -0.279 20 0 DBADRM Cn1cc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c(=O)[nH]c1=O ZINC001608098678 1019077679 /nfs/dbraw/zinc/07/76/79/1019077679.db2.gz UFIZQBIVVGFQEI-RXMQYKEDSA-N -1 0 309.200 -0.379 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H](Nc3ccnc(C(=O)[O-])n3)C2)cn1 ZINC001608097658 1019077730 /nfs/dbraw/zinc/07/77/30/1019077730.db2.gz FGEWVUDZCQVJKU-MGCOHNPYSA-N -1 0 316.321 -0.297 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])c2=O ZINC001608096140 1019077760 /nfs/dbraw/zinc/07/77/60/1019077760.db2.gz FMKPUNLINMIQDZ-XVKPBYJWSA-N -1 0 322.296 -0.091 20 0 DBADRM Cn1cc(C(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)c(=O)[nH]c1=O ZINC001608095912 1019078028 /nfs/dbraw/zinc/07/80/28/1019078028.db2.gz AJOIWAVPHRVINC-SNVBAGLBSA-N -1 0 319.273 -0.253 20 0 DBADRM Cn1cc(/C=C\C(=O)NOCCCC(=O)[O-])c(=O)n(C)c1=O ZINC001608109642 1019078379 /nfs/dbraw/zinc/07/83/79/1019078379.db2.gz MFOIAMRLQIYVQT-WAYWQWQTSA-N -1 0 311.294 -0.990 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)NCC1([S@@](C)=O)CC1 ZINC001608101904 1019079486 /nfs/dbraw/zinc/07/94/86/1019079486.db2.gz GREWVUSHTJTDHD-LJQANCHMSA-N -1 0 320.392 -0.087 20 0 DBADRM Cn1cc(/C=C\C(=O)O[C@@H](C(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC001608107115 1019079952 /nfs/dbraw/zinc/07/99/52/1019079952.db2.gz MNMUFCLTWHDYNT-ISALQUGTSA-N -1 0 308.290 -0.496 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)Cc2ccc(C(=O)[O-])nc2)cn1 ZINC001608106494 1019080249 /nfs/dbraw/zinc/08/02/49/1019080249.db2.gz VUIAJOIAMMEDNX-LBPRGKRZSA-N -1 0 304.306 -0.094 20 0 DBADRM Cn1cc(C=O)cc1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001608107271 1019080616 /nfs/dbraw/zinc/08/06/16/1019080616.db2.gz OFEDZVWPWCRKAU-SNVBAGLBSA-N -1 0 307.306 -0.357 20 0 DBADRM Cn1cc(/C=C/C(=O)O[C@@H](C(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC001608107116 1019080770 /nfs/dbraw/zinc/08/07/70/1019080770.db2.gz MNMUFCLTWHDYNT-MVIFTORASA-N -1 0 308.290 -0.496 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)NC[C@H]3C[C@H]3C(=O)[O-])C2=O)cn1 ZINC001608117508 1019081192 /nfs/dbraw/zinc/08/11/92/1019081192.db2.gz LEKHPYWWYJLJOX-IEBDPFPHSA-N -1 0 321.337 -0.455 20 0 DBADRM Cn1cc(N2CCN(C(=O)NC[C@H](F)C(=O)[O-])CC2=O)cn1 ZINC001608117156 1019081374 /nfs/dbraw/zinc/08/13/74/1019081374.db2.gz TYOKAJIZKYCPMQ-VIFPVBQESA-N -1 0 313.289 -0.799 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)NC3CC(C(=O)[O-])C3)CC2=O)cn1 ZINC001608117723 1019082342 /nfs/dbraw/zinc/08/23/42/1019082342.db2.gz RNBAIERUPGDSDC-HWOCKDDLSA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1cc(CNC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)nn1 ZINC001608111430 1019082555 /nfs/dbraw/zinc/08/25/55/1019082555.db2.gz CKYSUQKMCFKZDW-GFCCVEGCSA-N -1 0 308.298 -0.670 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C2=O)cn1 ZINC001608117854 1019082990 /nfs/dbraw/zinc/08/29/90/1019082990.db2.gz VYYAZQOSNWZXSI-NGZCFLSTSA-N -1 0 321.337 -0.312 20 0 DBADRM Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)N2CC(O)(C(=O)[O-])C2)cn1 ZINC001608110610 1019083007 /nfs/dbraw/zinc/08/30/07/1019083007.db2.gz JLLHQDUDBFUPEA-NEPJUHHUSA-N -1 0 322.365 -0.028 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCCc2cnccn2)cc1C(=O)[O-] ZINC001608116153 1019083304 /nfs/dbraw/zinc/08/33/04/1019083304.db2.gz LKNHXDBDDALYEZ-UHFFFAOYSA-N -1 0 317.305 -0.189 20 0 DBADRM Cn1cc(NC(=O)Cc2cccc(C(=O)[O-])c2)c(=O)n(C)c1=O ZINC001608118387 1019083547 /nfs/dbraw/zinc/08/35/47/1019083547.db2.gz DQRFLEDTRHRQDJ-UHFFFAOYSA-N -1 0 317.301 -0.037 20 0 DBADRM Cn1cc(CNC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)cn1 ZINC001608111794 1019083716 /nfs/dbraw/zinc/08/37/16/1019083716.db2.gz MWTAHJBCKVIZJI-ZDUSSCGKSA-N -1 0 307.310 -0.065 20 0 DBADRM Cn1ccc(CC(=O)NCCCNc2ccnc(C(=O)[O-])n2)n1 ZINC001608126103 1019084038 /nfs/dbraw/zinc/08/40/38/1019084038.db2.gz CSSDZJWGLWPCGE-UHFFFAOYSA-N -1 0 318.337 -0.509 20 0 DBADRM Cn1ccc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001608126097 1019084064 /nfs/dbraw/zinc/08/40/64/1019084064.db2.gz COIDIDMRWLKRNI-WHOHXGKFSA-N -1 0 320.349 -0.553 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@H](O)[C@@H]2CCCO2)cc1C(=O)[O-] ZINC001608121712 1019084188 /nfs/dbraw/zinc/08/41/88/1019084188.db2.gz ZBABWCXCKUDTGO-QWRGUYRKSA-N -1 0 318.351 -0.459 20 0 DBADRM Cn1ccc(C(=O)NCC2(Nc3ccnc(C(=O)[O-])n3)CC2)n1 ZINC001608123880 1019084979 /nfs/dbraw/zinc/08/49/79/1019084979.db2.gz XKQJJLFRZFKMKM-UHFFFAOYSA-N -1 0 316.321 -0.295 20 0 DBADRM Cn1ccc(C(=O)NC[C@@H](O)CNc2ncc(C(=O)[O-])cn2)n1 ZINC001608123085 1019085778 /nfs/dbraw/zinc/08/57/78/1019085778.db2.gz AKHMYINFMXTHAK-SECBINFHSA-N -1 0 320.309 -0.889 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](CO)[C@H]2CCOC2)cc1C(=O)[O-] ZINC001608121755 1019085862 /nfs/dbraw/zinc/08/58/62/1019085862.db2.gz BIOYYZNVEADTAX-WPRPVWTQSA-N -1 0 318.351 -0.601 20 0 DBADRM Cn1ccc(CNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)c1 ZINC001608124961 1019085908 /nfs/dbraw/zinc/08/59/08/1019085908.db2.gz RPQKNYWESFNKKC-UHFFFAOYSA-N -1 0 305.294 -0.288 20 0 DBADRM Cn1ccc(-n2cc(CN3CCOC[C@@H]3CC(=O)[O-])nn2)n1 ZINC001608123564 1019085929 /nfs/dbraw/zinc/08/59/29/1019085929.db2.gz MPOCSGWEZMKBPY-NSHDSACASA-N -1 0 306.326 -0.324 20 0 DBADRM Cn1cc(NC(=O)N2CCO[C@H](CC(N)=O)C2)cc1C(=O)[O-] ZINC001608118538 1019086153 /nfs/dbraw/zinc/08/61/53/1019086153.db2.gz UAWLYYRZQDLZQG-SECBINFHSA-N -1 0 310.310 -0.169 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2C[C@H](Nc3ccnc(C(=O)[O-])n3)C2)n1 ZINC001608134926 1019086631 /nfs/dbraw/zinc/08/66/31/1019086631.db2.gz YRYJLDQUTPLFTJ-ZKCHVHJHSA-N -1 0 317.309 -0.902 20 0 DBADRM Cn1ccnc1CN1CCC(C(=O)NCCOCC(=O)[O-])CC1 ZINC001608132515 1019087732 /nfs/dbraw/zinc/08/77/32/1019087732.db2.gz GDEIAMOSAKRLBY-UHFFFAOYSA-N -1 0 324.381 -0.151 20 0 DBADRM Cn1ccnc1C1(O)CN(C(=O)Cc2ccc(C(=O)[O-])nc2)C1 ZINC001608134974 1019087772 /nfs/dbraw/zinc/08/77/72/1019087772.db2.gz WOQDVXZQYPZWNR-UHFFFAOYSA-N -1 0 316.317 -0.214 20 0 DBADRM Cn1ccc(S(=O)(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)n1 ZINC001608128226 1019088795 /nfs/dbraw/zinc/08/87/95/1019088795.db2.gz WCTLAMNMNLSFLV-BDAKNGLRSA-N -1 0 303.340 -0.564 20 0 DBADRM Cn1cnnc1S(=O)(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC001608139018 1019090377 /nfs/dbraw/zinc/09/03/77/1019090377.db2.gz BCHDZUPAQCHZOX-SECBINFHSA-N -1 0 318.355 -0.637 20 0 DBADRM Cn1cncc1C(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CCC1 ZINC001608136502 1019090782 /nfs/dbraw/zinc/09/07/82/1019090782.db2.gz PCJNCHBCUJKWIX-VHSXEESVSA-N -1 0 320.349 -0.091 20 0 DBADRM Cn1cnc2cncc(C(=O)Nc3n[nH]c(CC(=O)[O-])n3)c21 ZINC001608136306 1019090945 /nfs/dbraw/zinc/09/09/45/1019090945.db2.gz KBLCGYPUYNOCBQ-UHFFFAOYSA-N -1 0 301.266 -0.034 20 0 DBADRM Cn1cnc(S(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)c1Cl ZINC001608135610 1019091423 /nfs/dbraw/zinc/09/14/23/1019091423.db2.gz ZAXCIZDZLBHWGN-JTQLQIEISA-N -1 0 323.758 -0.157 20 0 DBADRM Cn1cncc1C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608136531 1019091573 /nfs/dbraw/zinc/09/15/73/1019091573.db2.gz QGQJLDHBTLFIOW-UWVGGRQHSA-N -1 0 306.322 -0.671 20 0 DBADRM Cn1cnc(NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)n1 ZINC001608135763 1019091971 /nfs/dbraw/zinc/09/19/71/1019091971.db2.gz PPXPKGFLBACCMB-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1 ZINC001608140618 1019092331 /nfs/dbraw/zinc/09/23/31/1019092331.db2.gz WGUSHUPHGDNDFT-UHFFFAOYSA-N -1 0 310.358 -0.243 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001608146765 1019092392 /nfs/dbraw/zinc/09/23/92/1019092392.db2.gz BQYBXUOYACOLSV-JTQLQIEISA-N -1 0 308.338 -0.063 20 0 DBADRM Cn1nc(Br)cc1C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001608140010 1019092407 /nfs/dbraw/zinc/09/24/07/1019092407.db2.gz LNURLYKOXINWPH-YFKPBYRVSA-N -1 0 306.116 -0.252 20 0 DBADRM Cn1cnnc1COCC(=O)NC1(C(=O)[O-])CCSCC1 ZINC001608139278 1019092486 /nfs/dbraw/zinc/09/24/86/1019092486.db2.gz QQTHXVUGHKVDJW-UHFFFAOYSA-N -1 0 314.367 -0.202 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)c2ccc(C(=O)[O-])n2C)CC1 ZINC001608139602 1019092670 /nfs/dbraw/zinc/09/26/70/1019092670.db2.gz LIRJZAWTSOMWPE-UHFFFAOYSA-N -1 0 318.337 -0.186 20 0 DBADRM Cn1nc([C@H]2CCCOC2)cc1NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001608148167 1019092684 /nfs/dbraw/zinc/09/26/84/1019092684.db2.gz DINVTSMKPJHBPL-VIFPVBQESA-N -1 0 324.337 -0.023 20 0 DBADRM Cn1nc(C2CC2)cc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001608147137 1019092802 /nfs/dbraw/zinc/09/28/02/1019092802.db2.gz LPPVEPIFUALYFS-GFCCVEGCSA-N -1 0 315.351 -0.181 20 0 DBADRM Cn1ncc(C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c1N ZINC001608153350 1019093635 /nfs/dbraw/zinc/09/36/35/1019093635.db2.gz IJGUOMIRLKLOAL-QMMMGPOBSA-N -1 0 319.325 -0.231 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCc1ncccc1F ZINC001608155811 1019093802 /nfs/dbraw/zinc/09/38/02/1019093802.db2.gz WKLXWBINFKVXHU-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cn1ncc(CCC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)n1 ZINC001608157344 1019094278 /nfs/dbraw/zinc/09/42/78/1019094278.db2.gz AUBIITLPGLPVCC-UHFFFAOYSA-N -1 0 304.310 -0.205 20 0 DBADRM Cn1nc(NC(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC001608151347 1019094378 /nfs/dbraw/zinc/09/43/78/1019094378.db2.gz RQUJUDMWOKWZTL-LJGSYFOKSA-N -1 0 316.339 -0.185 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1N ZINC001608156059 1019094460 /nfs/dbraw/zinc/09/44/60/1019094460.db2.gz XCHRVKXXSLGPOT-BGZDPUMWSA-N -1 0 321.337 -0.900 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@@H](CO)CC1CC1 ZINC001608154548 1019094719 /nfs/dbraw/zinc/09/47/19/1019094719.db2.gz BWOKHAHUIRJHRQ-VIFPVBQESA-N -1 0 324.337 -0.418 20 0 DBADRM Cn1[nH]c(=O)c2c1CN(C(=O)Nc1ccn(CC(=O)[O-])n1)CC2 ZINC001608151326 1019094880 /nfs/dbraw/zinc/09/48/80/1019094880.db2.gz LPORRVSCEIOBEL-UHFFFAOYSA-N -1 0 320.309 -0.003 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCC1(CO)CCCC1 ZINC001608156146 1019095543 /nfs/dbraw/zinc/09/55/43/1019095543.db2.gz ZECBHTLNCDPPOW-UHFFFAOYSA-N -1 0 324.337 -0.274 20 0 DBADRM Cn1nc(NC(=O)Nc2ccc(=O)n(CCO)c2)cc1C(=O)[O-] ZINC001608151671 1019095892 /nfs/dbraw/zinc/09/58/92/1019095892.db2.gz ZDNFTNMSOUZACQ-UHFFFAOYSA-N -1 0 321.293 -0.084 20 0 DBADRM Cn1nccc1C1(O)CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001608163336 1019097917 /nfs/dbraw/zinc/09/79/17/1019097917.db2.gz QJWLZIAWNMWUKA-WDEREUQCSA-N -1 0 323.349 -0.280 20 0 DBADRM Cn1nccc1[C@H]1CN([C@@H]2CCN(CCC(=O)[O-])C2=O)CCO1 ZINC001608164879 1019098361 /nfs/dbraw/zinc/09/83/61/1019098361.db2.gz AUDLFCFAAYFXSW-CHWSQXEVSA-N -1 0 322.365 -0.131 20 0 DBADRM Cn1ncc(CCC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)n1 ZINC001608158110 1019098443 /nfs/dbraw/zinc/09/84/43/1019098443.db2.gz WLRPWZKNMNPJTI-ZDUSSCGKSA-N -1 0 307.310 -0.420 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CC1SC(=N)NC1=O)C(=O)[O-] ZINC001608162342 1019098766 /nfs/dbraw/zinc/09/87/66/1019098766.db2.gz ISWFXMBWZSVGRW-POYBYMJQSA-N -1 0 311.323 -0.782 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CNC(=O)c1ccccn1)C(=O)[O-] ZINC001608161999 1019098826 /nfs/dbraw/zinc/09/88/26/1019098826.db2.gz BFFNWQUSXMPHEE-LBPRGKRZSA-N -1 0 317.305 -0.513 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)c2ccoc2CC(=O)[O-])C1 ZINC001608167262 1019099180 /nfs/dbraw/zinc/09/91/80/1019099180.db2.gz BJFRWFGVHZKPAO-UHFFFAOYSA-N -1 0 306.278 -0.621 20 0 DBADRM Cn1nnc(C(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)n1 ZINC001608165385 1019099906 /nfs/dbraw/zinc/09/99/06/1019099906.db2.gz HXVXTCAOMAUCPA-SNVBAGLBSA-N -1 0 303.278 -0.299 20 0 DBADRM Cn1nncc1C(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001608167854 1019100562 /nfs/dbraw/zinc/10/05/62/1019100562.db2.gz KVMYGSRSRNQYPM-UHFFFAOYSA-N -1 0 317.309 -0.734 20 0 DBADRM Cn1nncc1CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001608167856 1019101149 /nfs/dbraw/zinc/10/11/49/1019101149.db2.gz KXJPWSOEXVKWOH-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)CCSCC(=O)[O-])C1 ZINC001608166263 1019101348 /nfs/dbraw/zinc/10/13/48/1019101348.db2.gz AUDNBUIZEOUVJK-UHFFFAOYSA-N -1 0 300.340 -0.947 20 0 DBADRM Cn1nnc(CNS(=O)(=O)c2cccc(F)c2C(=O)[O-])n1 ZINC001608168464 1019101473 /nfs/dbraw/zinc/10/14/73/1019101473.db2.gz WPTDVRJGZBSZLU-UHFFFAOYSA-N -1 0 315.286 -0.474 20 0 DBADRM Cn1nncc1CNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001608168320 1019101500 /nfs/dbraw/zinc/10/15/00/1019101500.db2.gz QWZQVSPPPHFQJE-QMMMGPOBSA-N -1 0 320.313 -0.739 20 0 DBADRM Cn1nccc1CCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001608165692 1019101925 /nfs/dbraw/zinc/10/19/25/1019101925.db2.gz QPCFFXAGMTXPLE-JTQLQIEISA-N -1 0 315.351 -0.937 20 0 DBADRM Cn1ncnc1C1(O)CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC001608166430 1019102071 /nfs/dbraw/zinc/10/20/71/1019102071.db2.gz KYLPOFPYIKPVGU-ZJUUUORDSA-N -1 0 324.337 -0.743 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001608168703 1019103376 /nfs/dbraw/zinc/10/33/76/1019103376.db2.gz YCRNYDBGDJXZOA-VHSXEESVSA-N -1 0 324.337 -0.885 20 0 DBADRM Cn1nncc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001608168670 1019104074 /nfs/dbraw/zinc/10/40/74/1019104074.db2.gz XHAXYXBBANCXOM-LVEVGFFFSA-N -1 0 305.338 -0.918 20 0 DBADRM Cn1oc(C(=O)NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cc1=O ZINC001608169759 1019104886 /nfs/dbraw/zinc/10/48/86/1019104886.db2.gz LATYMHAEUKNIQX-YUMQZZPRSA-N -1 0 323.305 -0.922 20 0 DBADRM NC(=O)C(=O)N[C@H]1CCC[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001608227480 1019115383 /nfs/dbraw/zinc/11/53/83/1019115383.db2.gz SOKYZEYZMIOGJJ-CBAPKCEASA-N -1 0 307.310 -0.643 20 0 DBADRM NC(=O)C1(NC(=O)Cn2cccc(C(=O)[O-])c2=O)CCCCC1 ZINC001608228122 1019115508 /nfs/dbraw/zinc/11/55/08/1019115508.db2.gz FBWQJMBRYGBNGH-UHFFFAOYSA-N -1 0 321.333 -0.149 20 0 DBADRM NC(=O)[C@H]1CC(C(=O)N2CC[C@@H]2C(=O)[O-])=NN1c1ccccc1 ZINC001608228985 1019115630 /nfs/dbraw/zinc/11/56/30/1019115630.db2.gz BYRUKNURPJQKMK-VXGBXAGGSA-N -1 0 316.317 -0.208 20 0 DBADRM NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001608227482 1019115993 /nfs/dbraw/zinc/11/59/93/1019115993.db2.gz SOKYZEYZMIOGJJ-VXNVDRBHSA-N -1 0 307.310 -0.643 20 0 DBADRM NC(=O)[C@@H]1CC(C(=O)N2CC[C@@H]2C(=O)[O-])=NN1c1ccccc1 ZINC001608228982 1019116311 /nfs/dbraw/zinc/11/63/11/1019116311.db2.gz BYRUKNURPJQKMK-NEPJUHHUSA-N -1 0 316.317 -0.208 20 0 DBADRM NC(=O)C1(C(=O)N2CC[C@H](Nc3ncc(C(=O)[O-])cn3)C2)CC1 ZINC001608228166 1019116550 /nfs/dbraw/zinc/11/65/50/1019116550.db2.gz MUQWKIOCARSRKD-VIFPVBQESA-N -1 0 319.321 -0.547 20 0 DBADRM NC(=O)C1(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)CCC1 ZINC001608228312 1019116819 /nfs/dbraw/zinc/11/68/19/1019116819.db2.gz KMOCNPIHAMRZIV-SECBINFHSA-N -1 0 312.322 -0.349 20 0 DBADRM NC(=O)C(=O)N[C@@H]1CCC[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001608227481 1019116835 /nfs/dbraw/zinc/11/68/35/1019116835.db2.gz SOKYZEYZMIOGJJ-IONNQARKSA-N -1 0 307.310 -0.643 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2F)C[C@H]1C(N)=O ZINC001608229683 1019118228 /nfs/dbraw/zinc/11/82/28/1019118228.db2.gz OPWLTOOWOJTBPW-DTORHVGOSA-N -1 0 323.280 -0.817 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CCO1 ZINC001608230739 1019118591 /nfs/dbraw/zinc/11/85/91/1019118591.db2.gz YYXJIYLSZMRHNA-MVCUBJFGSA-N -1 0 311.338 -0.619 20 0 DBADRM NC(=O)[C@@]1(O)CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)C1 ZINC001608230712 1019118801 /nfs/dbraw/zinc/11/88/01/1019118801.db2.gz VMAUMQIBRICSCC-CQSZACIVSA-N -1 0 304.306 -0.317 20 0 DBADRM NC(=O)CC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)C1 ZINC001608230667 1019119509 /nfs/dbraw/zinc/11/95/09/1019119509.db2.gz YKDXXACHOYQHLO-ZJUUUORDSA-N -1 0 323.349 -0.967 20 0 DBADRM NC(=O)[C@@H]1CN(CN2Cc3ccc(C(=O)[O-])cc3C2=O)CCO1 ZINC001608229941 1019119934 /nfs/dbraw/zinc/11/99/34/1019119934.db2.gz QKSQKVVPMIXXDA-LBPRGKRZSA-N -1 0 319.317 -0.516 20 0 DBADRM NC(=O)C1(O)CN(Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001608230006 1019120005 /nfs/dbraw/zinc/12/00/05/1019120005.db2.gz PYANPGDAHLHQKH-UHFFFAOYSA-N -1 0 319.111 -0.228 20 0 DBADRM NC(=O)C12CCC(CC1)N2S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001608229355 1019120402 /nfs/dbraw/zinc/12/04/02/1019120402.db2.gz JCDGZRVFZPUQPH-UHFFFAOYSA-N -1 0 313.335 -0.116 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)Cc2ccc(C(=O)[O-])nc2)CCO1 ZINC001608232458 1019121597 /nfs/dbraw/zinc/12/15/97/1019121597.db2.gz SWSDOANRFYZLEB-JTQLQIEISA-N -1 0 307.306 -0.575 20 0 DBADRM NC(=O)CN1Cc2ccc(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])cc2C1 ZINC001608235076 1019122775 /nfs/dbraw/zinc/12/27/75/1019122775.db2.gz SNCJWYKCPWFKPP-QWHCGFSZSA-N -1 0 317.345 -0.176 20 0 DBADRM NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001608232831 1019123340 /nfs/dbraw/zinc/12/33/40/1019123340.db2.gz OLSIIEGSWNUFAY-SSDOTTSWSA-N -1 0 302.312 -0.864 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nc2)CCO1 ZINC001608231429 1019123510 /nfs/dbraw/zinc/12/35/10/1019123510.db2.gz DLOTYVIULFSIBY-VIFPVBQESA-N -1 0 308.294 -0.112 20 0 DBADRM NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001608232832 1019123996 /nfs/dbraw/zinc/12/39/96/1019123996.db2.gz OLSIIEGSWNUFAY-ZETCQYMHSA-N -1 0 302.312 -0.864 20 0 DBADRM NC(=O)Cn1cc(C(=O)NCCCCC2(C(=O)[O-])CCC2)nn1 ZINC001608236826 1019125714 /nfs/dbraw/zinc/12/57/14/1019125714.db2.gz ISBMJWCNMYSEQT-UHFFFAOYSA-N -1 0 323.353 -0.082 20 0 DBADRM NC(=O)Cn1cc(C(=O)OCc2ccc(C(=O)[O-])cn2)nn1 ZINC001608237088 1019126420 /nfs/dbraw/zinc/12/64/20/1019126420.db2.gz PTWDGCUPRHPGQM-UHFFFAOYSA-N -1 0 305.250 -0.786 20 0 DBADRM NC(=O)NCC(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC001608237741 1019126629 /nfs/dbraw/zinc/12/66/29/1019126629.db2.gz BNCDKBGDFYAUFF-UHFFFAOYSA-N -1 0 322.321 -0.172 20 0 DBADRM NC(=O)CN1CCCN(C(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC001608235082 1019126794 /nfs/dbraw/zinc/12/67/94/1019126794.db2.gz SZUWPLVTHAMZOJ-UHFFFAOYSA-N -1 0 319.361 -0.053 20 0 DBADRM NC(=O)N[C@@H](CC(=O)OCC(=O)NCC(=O)[O-])c1ccccc1 ZINC001608238314 1019126905 /nfs/dbraw/zinc/12/69/05/1019126905.db2.gz POCYJSJBCVGBQT-JTQLQIEISA-N -1 0 323.305 -0.470 20 0 DBADRM NC(=O)c1cc(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)c[nH]1 ZINC001608241679 1019128861 /nfs/dbraw/zinc/12/88/61/1019128861.db2.gz NLLTYYQELJIADM-UHFFFAOYSA-N -1 0 320.305 -0.051 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)NCCSCC(=O)[O-])O1 ZINC001608239819 1019130020 /nfs/dbraw/zinc/13/00/20/1019130020.db2.gz JSIGHPTVLWVVJF-BDAKNGLRSA-N -1 0 304.368 -0.267 20 0 DBADRM NC(=O)[C@@H]1CCCN1S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001608240160 1019130832 /nfs/dbraw/zinc/13/08/32/1019130832.db2.gz MIUJXXCKAFSOCG-UTLUCORTSA-N -1 0 304.368 -0.091 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@]2(CC(=O)[O-])CCCOC2)cn1 ZINC001608242454 1019130890 /nfs/dbraw/zinc/13/08/90/1019130890.db2.gz ACJVZGKXOBHGCB-AWEZNQCLSA-N -1 0 307.306 -0.066 20 0 DBADRM NC(=O)[C@]12CCC[C@H]1CN(S(=O)(=O)CC1(C(=O)[O-])CC1)C2 ZINC001608240416 1019130959 /nfs/dbraw/zinc/13/09/59/1019130959.db2.gz GCAGQSZHALNEON-ZANVPECISA-N -1 0 316.379 -0.232 20 0 DBADRM NC(=O)c1ccc(/C=C/C(=O)NC[C@]2(C(=O)[O-])CCOC2)o1 ZINC001608242411 1019130971 /nfs/dbraw/zinc/13/09/71/1019130971.db2.gz CKYYNNCHOBHSNV-KWEXDPCDSA-N -1 0 308.290 -0.001 20 0 DBADRM NC(=O)c1nccnc1C(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001608245294 1019134446 /nfs/dbraw/zinc/13/44/46/1019134446.db2.gz JYTFUHFHUBOITN-UHFFFAOYSA-N -1 0 301.262 -0.401 20 0 DBADRM NC(=O)c1ccc(CNC(=O)Cn2cc(C(=O)[O-])cn2)cn1 ZINC001608244104 1019134672 /nfs/dbraw/zinc/13/46/72/1019134672.db2.gz DUDTXZIXEAAVIJ-UHFFFAOYSA-N -1 0 303.278 -0.608 20 0 DBADRM NC(=O)c1csc(N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001608245856 1019134965 /nfs/dbraw/zinc/13/49/65/1019134965.db2.gz SAGCSVHPZQYRHQ-ZCFIWIBFSA-N -1 0 308.323 -0.017 20 0 DBADRM [NH3+]CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(=O)[O-] ZINC001608255794 1019136579 /nfs/dbraw/zinc/13/65/79/1019136579.db2.gz DJRMUXRBZWJENJ-QMMMGPOBSA-N -1 0 320.298 -0.396 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])S1 ZINC001608251442 1019137043 /nfs/dbraw/zinc/13/70/43/1019137043.db2.gz UIOTZCZPRKFGON-UHNVWZDZSA-N -1 0 307.278 -0.136 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001608260006 1019139595 /nfs/dbraw/zinc/13/95/95/1019139595.db2.gz YNGTVRZGBZFHTJ-KXUCPTDWSA-N -1 0 319.383 -0.298 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001608259483 1019139775 /nfs/dbraw/zinc/13/97/75/1019139775.db2.gz MFYHICCRHQVBGL-QMMMGPOBSA-N -1 0 313.335 -0.470 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1 ZINC001608259950 1019139966 /nfs/dbraw/zinc/13/99/66/1019139966.db2.gz WQHZZTPTPORGFH-SCZZXKLOSA-N -1 0 317.367 -0.520 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)CCSCC(=O)[O-])C1 ZINC001608259789 1019140625 /nfs/dbraw/zinc/14/06/25/1019140625.db2.gz SUHNPYKRCGZYAF-QMMMGPOBSA-N -1 0 310.397 -0.669 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001608260007 1019141041 /nfs/dbraw/zinc/14/10/41/1019141041.db2.gz YNGTVRZGBZFHTJ-UTLUCORTSA-N -1 0 319.383 -0.298 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001608259486 1019141664 /nfs/dbraw/zinc/14/16/64/1019141664.db2.gz MKQYBZRLVCPXIS-LURJTMIESA-N -1 0 324.336 -0.971 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(Cc2cc(C(=O)[O-])no2)C1 ZINC001608259369 1019141906 /nfs/dbraw/zinc/14/19/06/1019141906.db2.gz JPNVEUOJRVADMZ-MRVPVSSYSA-N -1 0 303.340 -0.127 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)ccn1 ZINC001608261519 1019143197 /nfs/dbraw/zinc/14/31/97/1019143197.db2.gz VNWSBIBNFGXWHV-LLVKDONJSA-N -1 0 317.298 -0.632 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])o1 ZINC001608261532 1019143366 /nfs/dbraw/zinc/14/33/66/1019143366.db2.gz LTRHPHRJEKMQSB-ZETCQYMHSA-N -1 0 318.307 -0.757 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)o1 ZINC001608261919 1019145120 /nfs/dbraw/zinc/14/51/20/1019145120.db2.gz XYJNTYDRCUMEKE-LLVKDONJSA-N -1 0 318.307 -0.852 20 0 DBADRM NS(=O)(=O)CCCNC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001608260846 1019145256 /nfs/dbraw/zinc/14/52/56/1019145256.db2.gz ZUGHJCGHWFRSMF-SKDRFNHKSA-N -1 0 319.383 -0.296 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N(CCC(F)(F)F)CC(=O)[O-] ZINC001608269580 1019146999 /nfs/dbraw/zinc/14/69/99/1019146999.db2.gz YMBZIERFXMBQFM-UHFFFAOYSA-N -1 0 324.215 -0.051 20 0 DBADRM Nc1nc(N2CCC(O)(C(=O)[O-])CC2)nc(C(F)(F)F)n1 ZINC001608276554 1019147222 /nfs/dbraw/zinc/14/72/22/1019147222.db2.gz FSHPIJPYUWEJTF-UHFFFAOYSA-N -1 0 307.232 -0.112 20 0 DBADRM NS(=O)(=O)c1cccc2c1CCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C2 ZINC001608264606 1019147917 /nfs/dbraw/zinc/14/79/17/1019147917.db2.gz LEYMREVIFIPGEO-WDEREUQCSA-N -1 0 324.358 -0.061 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N2CCC(F)(C3CC3)CC2)C1 ZINC001608277544 1019147980 /nfs/dbraw/zinc/14/79/80/1019147980.db2.gz MEFCQJDTHKFQQA-UHFFFAOYSA-N -1 0 314.313 -0.615 20 0 DBADRM Nc1ncnc2cc(C(=O)NCC(=O)NCC(=O)[O-])ccc12 ZINC001608276949 1019149526 /nfs/dbraw/zinc/14/95/26/1019149526.db2.gz BCAJZWNQGXIXEU-UHFFFAOYSA-N -1 0 303.278 -0.857 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@H]2CC(c3ccccn3)=NO2)C1 ZINC001608279148 1019150753 /nfs/dbraw/zinc/15/07/53/1019150753.db2.gz PSRMQUYQXIVUMI-BXUZGUMPSA-N -1 0 305.290 -0.377 20 0 DBADRM O=C(/C=C\CN1CCOCC1)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001608282458 1019150796 /nfs/dbraw/zinc/15/07/96/1019150796.db2.gz VRRBHWGQXHHYAP-BVBSBALXSA-N -1 0 314.338 -0.793 20 0 DBADRM O=C(/C=C/[C@H]1CCCO1)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001608282693 1019150946 /nfs/dbraw/zinc/15/09/46/1019150946.db2.gz ZFNQLNYNHVQFTC-HMDXOVGESA-N -1 0 317.363 -0.130 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)C2CCS(=O)(=O)CC2)CC1 ZINC001608280714 1019151570 /nfs/dbraw/zinc/15/15/70/1019151570.db2.gz QLWDVXZSVWZUDF-UHFFFAOYSA-N -1 0 305.352 -0.751 20 0 DBADRM O=C(/C=C\[C@H]1CCOC1)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001608282507 1019151942 /nfs/dbraw/zinc/15/19/42/1019151942.db2.gz XJKCZPCXKMBPRA-SYBPUXJVSA-N -1 0 317.363 -0.273 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)CC1(n2cnnn2)CCOCC1 ZINC001608291112 1019152038 /nfs/dbraw/zinc/15/20/38/1019152038.db2.gz CVVNKFNNSFONGX-MRVPVSSYSA-N -1 0 301.278 -0.892 20 0 DBADRM O=C(/C=C\[C@@H]1CCCO1)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001608282701 1019152558 /nfs/dbraw/zinc/15/25/58/1019152558.db2.gz ZFNQLNYNHVQFTC-XOULXFPDSA-N -1 0 317.363 -0.130 20 0 DBADRM Nc1nccnc1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608277712 1019152842 /nfs/dbraw/zinc/15/28/42/1019152842.db2.gz NNUNPVOGWMGCDZ-IUCAKERBSA-N -1 0 319.321 -0.936 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)C1 ZINC001608289769 1019153015 /nfs/dbraw/zinc/15/30/15/1019153015.db2.gz DBVHADMQZLTPIL-SCSAIBSYSA-N -1 0 306.529 -0.235 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)NCC(=O)N2CCOCC2)n1 ZINC001608305608 1019154066 /nfs/dbraw/zinc/15/40/66/1019154066.db2.gz ADOCFGSWEQFEMA-UHFFFAOYSA-N -1 0 324.337 -0.664 20 0 DBADRM O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H](C(=O)[O-])c1cccnc1 ZINC001608303389 1019154707 /nfs/dbraw/zinc/15/47/07/1019154707.db2.gz BYWZVICZAXGLNZ-PSASIEDQSA-N -1 0 306.278 -0.688 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)CCC2CC2)n1 ZINC001608300785 1019155514 /nfs/dbraw/zinc/15/55/14/1019155514.db2.gz VMBUZQWFTONXDN-SNVBAGLBSA-N -1 0 308.338 -0.324 20 0 DBADRM O=C(C[C@H]1CCS(=O)(=O)C1)OCC(=O)C1(C(=O)[O-])CC1 ZINC001608296230 1019156301 /nfs/dbraw/zinc/15/63/01/1019156301.db2.gz FFOIZXMINHBPBE-MRVPVSSYSA-N -1 0 304.320 -0.212 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)CCc2c[nH]cn2)n1 ZINC001608316762 1019157624 /nfs/dbraw/zinc/15/76/24/1019157624.db2.gz LMJBQDCKKSRLNG-UHFFFAOYSA-N -1 0 304.310 -0.519 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCc1nnnn1CC1CC1 ZINC001608314360 1019158312 /nfs/dbraw/zinc/15/83/12/1019158312.db2.gz WKFHRJVTDCLUMH-WDEREUQCSA-N -1 0 323.353 -0.031 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001608309522 1019158760 /nfs/dbraw/zinc/15/87/60/1019158760.db2.gz RJVJDAOATCZZHP-OPRDCNLKSA-N -1 0 312.322 -0.887 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)N[C@@H]1CCS(=O)(=O)C1 ZINC001608313267 1019158952 /nfs/dbraw/zinc/15/89/52/1019158952.db2.gz FEEPTVQJLSMNMZ-IVZWLZJFSA-N -1 0 305.352 -0.440 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)CCn1cnccc1=O ZINC001608325251 1019159910 /nfs/dbraw/zinc/15/99/10/1019159910.db2.gz PSVZMCRLNXKFBN-MNOVXSKESA-N -1 0 309.322 -0.228 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NC[C@@H]1CCCS1(=O)=O ZINC001608313340 1019160054 /nfs/dbraw/zinc/16/00/54/1019160054.db2.gz JPARTICNNHNWGJ-AXFHLTTASA-N -1 0 319.379 -0.050 20 0 DBADRM O=C([O-])[C@H](CC(F)F)NC(=O)CN1CCCS1(=O)=O ZINC001608331314 1019161036 /nfs/dbraw/zinc/16/10/36/1019161036.db2.gz OJIIORKVFJHYBY-LURJTMIESA-N -1 0 300.283 -0.754 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)NCCN1CCCC1=O ZINC001608329218 1019161050 /nfs/dbraw/zinc/16/10/50/1019161050.db2.gz ALMGOQIKJWHLAC-SNVBAGLBSA-N -1 0 311.338 -0.952 20 0 DBADRM O=C([O-])[C@]1(O)CCN(CC(=O)NC(=O)NCc2ccccc2)C1 ZINC001608327788 1019161392 /nfs/dbraw/zinc/16/13/92/1019161392.db2.gz VXIKQUVCJITOSY-HNNXBMFYSA-N -1 0 321.333 -0.466 20 0 DBADRM O=C([O-])C1(NC(=O)CN2C[C@H](O)[C@H](CO)C2)CCCCC1 ZINC001608327087 1019161439 /nfs/dbraw/zinc/16/14/39/1019161439.db2.gz CQNYQLBVVFRSDW-QWRGUYRKSA-N -1 0 300.355 -0.825 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2ccc[nH]c2=O)C1=O ZINC001608330093 1019161900 /nfs/dbraw/zinc/16/19/00/1019161900.db2.gz MMLSXLNERRBDDU-SNVBAGLBSA-N -1 0 307.306 -0.273 20 0 DBADRM O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)CN1C(=O)CNC1=O ZINC001608326346 1019162101 /nfs/dbraw/zinc/16/21/01/1019162101.db2.gz KUWAXXSLPRMRBN-SNVBAGLBSA-N -1 0 323.280 -0.511 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC001608329935 1019162467 /nfs/dbraw/zinc/16/24/67/1019162467.db2.gz JQLOQXYSYMCLEQ-WOPDTQHZSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@H]2CCn3cncc32)C1=O ZINC001608329825 1019162567 /nfs/dbraw/zinc/16/25/67/1019162567.db2.gz HHGFYWBDQXHHAJ-ZJUUUORDSA-N -1 0 306.322 -0.233 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NC[C@@H](CO)CC2CC2)C1=O ZINC001608330337 1019162706 /nfs/dbraw/zinc/16/27/06/1019162706.db2.gz NESXDICPNDTLMS-NWDGAFQWSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C(CN1CCCNC1=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001608330546 1019162743 /nfs/dbraw/zinc/16/27/43/1019162743.db2.gz DUQAVLGHKMWDBP-MNOVXSKESA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NCCCn2ccnc2)C1=O ZINC001608329639 1019162817 /nfs/dbraw/zinc/16/28/17/1019162817.db2.gz FZQURPJUBGCMSS-LLVKDONJSA-N -1 0 308.338 -0.287 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CCn3cnnc3C2)n1 ZINC001608335223 1019163760 /nfs/dbraw/zinc/16/37/60/1019163760.db2.gz PKDSFXYXXHVMDP-UHFFFAOYSA-N -1 0 302.294 -0.174 20 0 DBADRM O=C(CN1CCCNC1=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC001608331579 1019164116 /nfs/dbraw/zinc/16/41/16/1019164116.db2.gz SVYMICVWLZFINY-SECBINFHSA-N -1 0 312.351 -0.330 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1CC(=O)NCC(=O)c1cccs1 ZINC001608336931 1019164181 /nfs/dbraw/zinc/16/41/81/1019164181.db2.gz XPOLAUMCNABNPL-RKDXNWHRSA-N -1 0 312.347 -0.433 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC001608333508 1019164629 /nfs/dbraw/zinc/16/46/29/1019164629.db2.gz FWBNGLVKQCFNKR-CQSZACIVSA-N -1 0 321.377 -0.634 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N[C@@]1(CCO)CCOC1 ZINC001608348080 1019165475 /nfs/dbraw/zinc/16/54/75/1019165475.db2.gz HSOUJGMJBWFWAV-ZDUSSCGKSA-N -1 0 314.294 -0.453 20 0 DBADRM O=C([O-])[C@]1(NC(=O)CNC(=O)c2cccc(O)c2)CCOC1 ZINC001608338506 1019166369 /nfs/dbraw/zinc/16/63/69/1019166369.db2.gz MKJSJRLSMAXFTL-AWEZNQCLSA-N -1 0 308.290 -0.518 20 0 DBADRM O=C(COC(=O)[C@@H]1COCCO1)NC1(C(=O)[O-])CCCCC1 ZINC001608345021 1019166751 /nfs/dbraw/zinc/16/67/51/1019166751.db2.gz QOLIDEKWHRWYOL-JTQLQIEISA-N -1 0 315.322 -0.151 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1O)NC(=O)CCNC(=O)CO ZINC001608343401 1019166807 /nfs/dbraw/zinc/16/68/07/1019166807.db2.gz WDEQOLCUYQIOTC-SNVBAGLBSA-N -1 0 310.306 -0.997 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)CNC(=O)c1ccccc1 ZINC001608338968 1019167410 /nfs/dbraw/zinc/16/74/10/1019167410.db2.gz VTEVJMRMUBDSOH-GFCCVEGCSA-N -1 0 316.317 -0.118 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccon1 ZINC001608368888 1019169115 /nfs/dbraw/zinc/16/91/15/1019169115.db2.gz DRQQXOMBTSLSJH-VLLVSFFDSA-N -1 0 319.317 -0.489 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(NC(=O)Cc2c[nH]cn2)CCC1 ZINC001608369447 1019170587 /nfs/dbraw/zinc/17/05/87/1019170587.db2.gz ZIBGEASWVCAQQC-MNOVXSKESA-N -1 0 320.349 -0.172 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)Cc2c[nH]cn2)CCC1 ZINC001608370012 1019172386 /nfs/dbraw/zinc/17/23/86/1019172386.db2.gz RDVGNBXPVORLDX-QWRGUYRKSA-N -1 0 320.349 -0.172 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 ZINC001608373828 1019172939 /nfs/dbraw/zinc/17/29/39/1019172939.db2.gz QXUSPNDKWMHORZ-MRVPVSSYSA-N -1 0 309.253 -0.359 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001608377610 1019175136 /nfs/dbraw/zinc/17/51/36/1019175136.db2.gz VZUYTZGDGMDSTE-JTQLQIEISA-N -1 0 304.310 -0.309 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)Cn2ncc3ccccc3c2=O)C1 ZINC001608381202 1019176077 /nfs/dbraw/zinc/17/60/77/1019176077.db2.gz FZEWFSFBYIIHBW-HNNXBMFYSA-N -1 0 317.301 -0.556 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)Cn2nccn2)CCC1 ZINC001608381447 1019176621 /nfs/dbraw/zinc/17/66/21/1019176621.db2.gz LDGRRICYWMZVJH-VHSXEESVSA-N -1 0 321.337 -0.846 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)c1ccc2c(n1)OCCO2 ZINC001608403254 1019178017 /nfs/dbraw/zinc/17/80/17/1019178017.db2.gz MZOUPTYRYFZAMO-JTQLQIEISA-N -1 0 318.289 -0.068 20 0 DBADRM O=C([O-])C1(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 ZINC001608404456 1019178400 /nfs/dbraw/zinc/17/84/00/1019178400.db2.gz ZQHHFNGJIXNYLK-UHFFFAOYSA-N -1 0 311.319 -0.783 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001608404229 1019178485 /nfs/dbraw/zinc/17/84/85/1019178485.db2.gz XXUAPONHTNQJHE-CABZTGNLSA-N -1 0 303.322 -0.019 20 0 DBADRM O=C([O-])C1(NC(=O)c2ccsn2)CCS(=O)(=O)CC1 ZINC001608405799 1019178967 /nfs/dbraw/zinc/17/89/67/1019178967.db2.gz HGNYBFAURJZCDB-UHFFFAOYSA-N -1 0 304.349 -0.095 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)[C@@H]1CCc2nncn2CC1 ZINC001608397652 1019179649 /nfs/dbraw/zinc/17/96/49/1019179649.db2.gz XIKYTXRXCZUIIP-NXEZZACHSA-N -1 0 324.337 -0.437 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001608404231 1019180365 /nfs/dbraw/zinc/18/03/65/1019180365.db2.gz XXUAPONHTNQJHE-SKDRFNHKSA-N -1 0 303.322 -0.019 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C(=O)N[C@@H]3CCOC3)C[C@H]1CCCC2 ZINC001608412641 1019182366 /nfs/dbraw/zinc/18/23/66/1019182366.db2.gz ISUVPFIUCYUGQE-UEKVPHQBSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NC2CC(F)(F)C2)C1 ZINC001608407281 1019182430 /nfs/dbraw/zinc/18/24/30/1019182430.db2.gz VSGDJQOHTUZNIC-XPUUQOCRSA-N -1 0 306.265 -0.806 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C(=O)N[C@@H]3C[C@H]4C[C@H]4C3)C[C@H]1COCC2 ZINC001608407554 1019182511 /nfs/dbraw/zinc/18/25/11/1019182511.db2.gz KIIWXMFIHDCEDV-IOFNBGNJSA-N -1 0 322.361 -0.149 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C2CC3(CC3)C2)C1 ZINC001608429849 1019184239 /nfs/dbraw/zinc/18/42/39/1019184239.db2.gz GJMRMSQOESYNND-WDEREUQCSA-N -1 0 322.361 -0.413 20 0 DBADRM O=C([O-])C1(CNC(=O)Nc2n[nH]nc2C(=O)NC2CC2)CC1 ZINC001608426778 1019184594 /nfs/dbraw/zinc/18/45/94/1019184594.db2.gz OLEAZHWJKWLRQJ-UHFFFAOYSA-N -1 0 308.298 -0.317 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccc[nH]2)C1 ZINC001608429823 1019185058 /nfs/dbraw/zinc/18/50/58/1019185058.db2.gz FXKRTUFWQVVLRI-IUCAKERBSA-N -1 0 307.306 -0.962 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C2CC=CC2)C1 ZINC001608430231 1019185090 /nfs/dbraw/zinc/18/50/90/1019185090.db2.gz JGWLIFVSYUEVDP-WDEREUQCSA-N -1 0 308.334 -0.637 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2cnsn2)CC1 ZINC001608429299 1019185402 /nfs/dbraw/zinc/18/54/02/1019185402.db2.gz ANNNWZVYRDVEKJ-BQBZGAKWSA-N -1 0 310.335 -0.363 20 0 DBADRM O=C([O-])c1cc(Cl)ccc1NC(=O)C(=O)NC[C@H](O)CO ZINC001608423849 1019186189 /nfs/dbraw/zinc/18/61/89/1019186189.db2.gz IDOACTJFAMGVJH-ZETCQYMHSA-N -1 0 316.697 -0.554 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ccn[nH]2)CCC1 ZINC001608429828 1019186204 /nfs/dbraw/zinc/18/62/04/1019186204.db2.gz FXMQCZUDVHZKEZ-RKDXNWHRSA-N -1 0 306.322 -0.101 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@H]2CC[C@H](O)C2)n1 ZINC001608433734 1019187751 /nfs/dbraw/zinc/18/77/51/1019187751.db2.gz BODPQXHASOVFAP-IUCAKERBSA-N -1 0 307.306 -0.005 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2n[nH]cc2F)C1 ZINC001608438053 1019188293 /nfs/dbraw/zinc/18/82/93/1019188293.db2.gz GJANIFGZQKNOAK-JGVFFNPUSA-N -1 0 310.285 -0.542 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)c1 ZINC001608431166 1019188394 /nfs/dbraw/zinc/18/83/94/1019188394.db2.gz WAYLRTSBJYXFEQ-LBPRGKRZSA-N -1 0 314.319 -0.348 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@@H]2CCC=CO2)C1 ZINC001608435065 1019188587 /nfs/dbraw/zinc/18/85/87/1019188587.db2.gz JGWDQRZQNCKOOK-MXWKQRLJSA-N -1 0 312.322 -0.911 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC(F)(F)F ZINC001608436881 1019189072 /nfs/dbraw/zinc/18/90/72/1019189072.db2.gz MPYAIBXWZXTFRJ-RNFRBKRXSA-N -1 0 312.244 -0.339 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@@H]2CCCNC2=O)n1 ZINC001608434343 1019189481 /nfs/dbraw/zinc/18/94/81/1019189481.db2.gz JLLWVCMQDCPSNW-QMMMGPOBSA-N -1 0 320.305 -0.639 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)NCCn1ncnn1 ZINC001608455434 1019190365 /nfs/dbraw/zinc/19/03/65/1019190365.db2.gz SXKZWCLHMITBRH-UHFFFAOYSA-N -1 0 310.295 -0.812 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)C(=O)N2CCOCC2)cc1 ZINC001608450017 1019190874 /nfs/dbraw/zinc/19/08/74/1019190874.db2.gz GNYIKAOGMBHKGT-UHFFFAOYSA-N -1 0 306.318 -0.098 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCCCN1CCOCC1 ZINC001608444638 1019191124 /nfs/dbraw/zinc/19/11/24/1019191124.db2.gz NBFBESXNADBPCY-VXGBXAGGSA-N -1 0 315.370 -0.502 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)c1cc(-n2ccnn2)ccc1F ZINC001608450558 1019191131 /nfs/dbraw/zinc/19/11/31/1019191131.db2.gz XWGKFDRCWYGXQN-NSHDSACASA-N -1 0 308.269 -0.028 20 0 DBADRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)NCCc2nnc[nH]2)c1 ZINC001608456333 1019191164 /nfs/dbraw/zinc/19/11/64/1019191164.db2.gz XBTFBZBHRTZYSC-UHFFFAOYSA-N -1 0 321.268 -0.061 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NCCCOC(F)F)C1 ZINC001608444153 1019191310 /nfs/dbraw/zinc/19/13/10/1019191310.db2.gz JWMZKLWZHLCBOP-YUMQZZPRSA-N -1 0 324.280 -0.974 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCC(O)(C2CC2)C2CC2)nn1 ZINC001608455677 1019191560 /nfs/dbraw/zinc/19/15/60/1019191560.db2.gz CRMNJPIBCORRCH-UHFFFAOYSA-N -1 0 323.353 -0.173 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC001608456767 1019192645 /nfs/dbraw/zinc/19/26/45/1019192645.db2.gz BKRZCCQERBVJQL-RGOKHQFPSA-N -1 0 314.313 -0.401 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC001608458127 1019192789 /nfs/dbraw/zinc/19/27/89/1019192789.db2.gz XNOUQIWBTPNYLY-ZANVPECISA-N -1 0 302.302 -0.711 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC2CCC1CC2 ZINC001608458638 1019193005 /nfs/dbraw/zinc/19/30/05/1019193005.db2.gz XSWRJSOFUPQKEL-RUJICJSRSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@H]2CC[C@H](CO)CC2)nn1 ZINC001608456476 1019193193 /nfs/dbraw/zinc/19/31/93/1019193193.db2.gz YHSNQAYSCIFPBH-MGCOHNPYSA-N -1 0 311.342 -0.173 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](CF)C1 ZINC001608458271 1019193219 /nfs/dbraw/zinc/19/32/19/1019193219.db2.gz GFTDGXWEKJISOY-IVZWLZJFSA-N -1 0 302.302 -0.590 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001608456766 1019193234 /nfs/dbraw/zinc/19/32/34/1019193234.db2.gz BKRZCCQERBVJQL-QEYWKRMJSA-N -1 0 314.313 -0.401 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC001608458137 1019193240 /nfs/dbraw/zinc/19/32/40/1019193240.db2.gz XSRHPOQOUVECOY-ZJUUUORDSA-N -1 0 312.301 -0.415 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001608461428 1019193987 /nfs/dbraw/zinc/19/39/87/1019193987.db2.gz ZHSVRLJHCTWWCY-JRKPZEMJSA-N -1 0 313.310 -0.773 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCC(n2ccnc2)CC1 ZINC001608461272 1019194036 /nfs/dbraw/zinc/19/40/36/1019194036.db2.gz SFUFYKZOYBPWAF-ZYHUDNBSSA-N -1 0 320.349 -0.117 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)N1CC(N3CC[C@@H](O)C3)C1)C2 ZINC001608491994 1019196154 /nfs/dbraw/zinc/19/61/54/1019196154.db2.gz RIPACLIHILEWFJ-HMDURAKOSA-N -1 0 309.366 -0.300 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001608487300 1019196219 /nfs/dbraw/zinc/19/62/19/1019196219.db2.gz BHEGOYJEGOQRLW-CKIKVBCHSA-N -1 0 324.377 -0.025 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1cc(Cn2cccn2)on1 ZINC001608488810 1019196921 /nfs/dbraw/zinc/19/69/21/1019196921.db2.gz LSJAVKUFDVVQBW-GXSJLCMTSA-N -1 0 306.278 -0.109 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)c1cnn2cccnc12 ZINC001608486924 1019197127 /nfs/dbraw/zinc/19/71/27/1019197127.db2.gz LUXYYDYCLGITOY-SNVBAGLBSA-N -1 0 300.278 -0.122 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001608492445 1019197564 /nfs/dbraw/zinc/19/75/64/1019197564.db2.gz GBWFMABTDFKBQC-XSPKLOCKSA-N -1 0 307.310 -0.850 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cc(N2CCOCC2)ncn1 ZINC001608490577 1019197689 /nfs/dbraw/zinc/19/76/89/1019197689.db2.gz MVHXKKCYBYFWBX-ZJUUUORDSA-N -1 0 306.322 -0.094 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001608491741 1019197827 /nfs/dbraw/zinc/19/78/27/1019197827.db2.gz OPDQQHVQDXEPIR-CDEVMZEPSA-N -1 0 306.322 -0.245 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2C3CCC2(CO)CC3)C1 ZINC001608488935 1019197865 /nfs/dbraw/zinc/19/78/65/1019197865.db2.gz HYSRMTIXNDMCBH-HXBIFKHQSA-N -1 0 310.350 -0.128 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CNOC2)Cc2ccccc21 ZINC001608492320 1019197882 /nfs/dbraw/zinc/19/78/82/1019197882.db2.gz ZKYHPSJPELEOQH-CMPLNLGQSA-N -1 0 319.317 -0.783 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2C[C@@H](NC(=O)c3cncnc3)C2)n1 ZINC001608492357 1019197907 /nfs/dbraw/zinc/19/79/07/1019197907.db2.gz AXRZPOBLOSNQLJ-MGCOHNPYSA-N -1 0 314.305 -0.240 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001608540622 1019199744 /nfs/dbraw/zinc/19/97/44/1019199744.db2.gz SUEQDXTZCANFDL-WDEREUQCSA-N -1 0 310.281 -0.260 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CCNC1=O)Cc1ccc(O)cc1 ZINC001608537057 1019200282 /nfs/dbraw/zinc/20/02/82/1019200282.db2.gz ORBSQIBQAKDDBX-PWSUYJOCSA-N -1 0 306.318 -0.112 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001608540621 1019200551 /nfs/dbraw/zinc/20/05/51/1019200551.db2.gz SUEQDXTZCANFDL-GHMZBOCLSA-N -1 0 310.281 -0.260 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)N1CCS(=O)(=O)CC1)[C@H]1CCOC1 ZINC001608537030 1019200802 /nfs/dbraw/zinc/20/08/02/1019200802.db2.gz OJZAYFSYPWRALX-UWVGGRQHSA-N -1 0 320.367 -0.836 20 0 DBADRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)N1CCS(=O)(=O)CC1 ZINC001608531942 1019201661 /nfs/dbraw/zinc/20/16/61/1019201661.db2.gz OKLRXWWMIZKCDP-NXEZZACHSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)C1(O)CCSCC1 ZINC001608536734 1019201758 /nfs/dbraw/zinc/20/17/58/1019201758.db2.gz QVOOHKSUFQOLOX-SECBINFHSA-N -1 0 319.379 -0.033 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CCNC1=O)Cc1ccc(O)cc1 ZINC001608537055 1019201832 /nfs/dbraw/zinc/20/18/32/1019201832.db2.gz ORBSQIBQAKDDBX-CMPLNLGQSA-N -1 0 306.318 -0.112 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)C1(O)Cc2ccccc2C1 ZINC001608536661 1019202225 /nfs/dbraw/zinc/20/22/25/1019202225.db2.gz PIJAUXWQEBJLNG-GFCCVEGCSA-N -1 0 321.329 -0.151 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)NCCCn2ccnn2)CC1 ZINC001608555579 1019203301 /nfs/dbraw/zinc/20/33/01/1019203301.db2.gz QQJLHUCPJAZHSP-NSHDSACASA-N -1 0 311.342 -0.465 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC001608555635 1019203507 /nfs/dbraw/zinc/20/35/07/1019203507.db2.gz XOLUVZKEYOJGAW-CMPLNLGQSA-N -1 0 323.353 -0.690 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCC(CO)(CO)C2)CCC1 ZINC001608570000 1019204960 /nfs/dbraw/zinc/20/49/60/1019204960.db2.gz BSXFJKQBMLDIQH-UHFFFAOYSA-N -1 0 307.368 -0.752 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCC(CO)(CO)CC2)CCC1 ZINC001608579396 1019206919 /nfs/dbraw/zinc/20/69/19/1019206919.db2.gz JATBJSZNWGEHKK-UHFFFAOYSA-N -1 0 307.368 -0.610 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCC(O)(CO)CC2)CCCC1 ZINC001608570434 1019206986 /nfs/dbraw/zinc/20/69/86/1019206986.db2.gz ISNWNASLJZHHEG-UHFFFAOYSA-N -1 0 321.395 -0.220 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CC[C@H](c3nnc[nH]3)C2)CCC1 ZINC001608579712 1019208931 /nfs/dbraw/zinc/20/89/31/1019208931.db2.gz QJBHWOXRLGHODR-QMMMGPOBSA-N -1 0 300.340 -0.069 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001608590533 1019211121 /nfs/dbraw/zinc/21/11/21/1019211121.db2.gz DGGCFOMRPWKRAB-PELKAZGASA-N -1 0 316.335 -0.747 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)NCCCn3cncn3)C2)C1 ZINC001608590332 1019211326 /nfs/dbraw/zinc/21/13/26/1019211326.db2.gz UWEJHKZRMKPDAB-ZDUSSCGKSA-N -1 0 322.325 -0.317 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CCO[C@H](C(F)F)C2)C1 ZINC001608586153 1019212641 /nfs/dbraw/zinc/21/26/41/1019212641.db2.gz HRIFTKAGDVNTLF-BDAKNGLRSA-N -1 0 318.276 -0.232 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001608590535 1019212729 /nfs/dbraw/zinc/21/27/29/1019212729.db2.gz DGGCFOMRPWKRAB-QPUJVOFHSA-N -1 0 316.335 -0.747 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(C(=O)CCc1cn[nH]n1)CC2 ZINC001608589873 1019213346 /nfs/dbraw/zinc/21/33/46/1019213346.db2.gz SJUGXLNKLLOWDD-UHFFFAOYSA-N -1 0 307.310 -0.041 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2ccccc2-n2cnnn2)C1 ZINC001608601110 1019215726 /nfs/dbraw/zinc/21/57/26/1019215726.db2.gz HQAVWFRTEBUKSJ-UWVGGRQHSA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)CCC(=O)N1CCOCC1 ZINC001608595195 1019215799 /nfs/dbraw/zinc/21/57/99/1019215799.db2.gz HLNJTTDADXGUMA-MFKMUULPSA-N -1 0 314.338 -0.938 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@]23CCC(=O)N2CCS3)C1 ZINC001608602645 1019216453 /nfs/dbraw/zinc/21/64/53/1019216453.db2.gz RSZCGPRXMBVJMJ-JRKPZEMJSA-N -1 0 314.363 -0.654 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)CCCCN1CCOCC1 ZINC001608598477 1019216554 /nfs/dbraw/zinc/21/65/54/1019216554.db2.gz XCJWAEZNDAQDOE-OCCSQVGLSA-N -1 0 314.382 -0.075 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001608600660 1019216947 /nfs/dbraw/zinc/21/69/47/1019216947.db2.gz DZOFNYWLEVSVCA-HTQZYQBOSA-N -1 0 306.278 -0.658 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(c2cc(N3CCOCC3)ncn2)C1 ZINC001608608134 1019217896 /nfs/dbraw/zinc/21/78/96/1019217896.db2.gz TZOSSKHSXAFRNS-MNOVXSKESA-N -1 0 308.338 -0.415 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)Cn2cccn2)CC1 ZINC001608609412 1019219995 /nfs/dbraw/zinc/21/99/95/1019219995.db2.gz ABQWKCQNAOWCMD-MNOVXSKESA-N -1 0 306.322 -0.725 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)CCCC2CC2)C1 ZINC001608610268 1019221618 /nfs/dbraw/zinc/22/16/18/1019221618.db2.gz HRKSEQHZXYIWTK-NWDGAFQWSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3cocn3)C[C@@H]2C1 ZINC001608610645 1019221777 /nfs/dbraw/zinc/22/17/77/1019221777.db2.gz JQXOHWPQZUNRGK-YTWAJWBKSA-N -1 0 319.317 -0.074 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cnn3cc[nH]c23)C1 ZINC001608609897 1019222007 /nfs/dbraw/zinc/22/20/07/1019222007.db2.gz FLVJKRUDOXJWRK-IUCAKERBSA-N -1 0 317.305 -0.676 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccncc3)C[C@H]21 ZINC001608610964 1019222426 /nfs/dbraw/zinc/22/24/26/1019222426.db2.gz OOZCADAEUATZSX-KVSVUVNWSA-N -1 0 315.329 -0.011 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001608610309 1019223219 /nfs/dbraw/zinc/22/32/19/1019223219.db2.gz HYGLQHHFOCWJDP-VHSXEESVSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001608610026 1019223501 /nfs/dbraw/zinc/22/35/01/1019223501.db2.gz FVAAYFHZJKNDGE-WDEREUQCSA-N -1 0 320.349 -0.266 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cnns3)C[C@H]21 ZINC001608611471 1019224223 /nfs/dbraw/zinc/22/42/23/1019224223.db2.gz RQQILIDWCHNOFY-OGBGREFGSA-N -1 0 308.363 -0.195 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)c2cnsn2)CC1 ZINC001608611200 1019224412 /nfs/dbraw/zinc/22/44/12/1019224412.db2.gz NVLMNLPLDOQNNN-DTWKUNHWSA-N -1 0 324.362 -0.067 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cnns3)C[C@H]21 ZINC001608611472 1019224902 /nfs/dbraw/zinc/22/49/02/1019224902.db2.gz RQQILIDWCHNOFY-XXFSISAASA-N -1 0 308.363 -0.195 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)c2cnsn2)CC1 ZINC001608611199 1019225107 /nfs/dbraw/zinc/22/51/07/1019225107.db2.gz NVLMNLPLDOQNNN-BDAKNGLRSA-N -1 0 324.362 -0.067 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)C2=CCOCC2)C1 ZINC001608611992 1019225598 /nfs/dbraw/zinc/22/55/98/1019225598.db2.gz SFFLUUBBHOMLQL-RYUDHWBXSA-N -1 0 308.334 -0.372 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ncccn3)C[C@H]21 ZINC001608611718 1019225462 /nfs/dbraw/zinc/22/54/62/1019225462.db2.gz URMTWSUGVMVCST-XXFSISAASA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cnsn3)C[C@H]21 ZINC001608611215 1019225525 /nfs/dbraw/zinc/22/55/25/1019225525.db2.gz QADJTEQGKLVPCX-APLZJWDSSA-N -1 0 308.363 -0.195 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(Cc2noc(C3CC3)n2)C1 ZINC001608611748 1019226548 /nfs/dbraw/zinc/22/65/48/1019226548.db2.gz RAQLTRMZUFZQGV-UWVGGRQHSA-N -1 0 306.322 -0.032 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)Cc2cncs2)C1 ZINC001608612086 1019227768 /nfs/dbraw/zinc/22/77/68/1019227768.db2.gz SOTJBGLVCKLUQT-ZJUUUORDSA-N -1 0 309.347 -0.267 20 0 DBADRM O=C([O-])[C@H]1CC[C@H]2C(=O)N(Cc3nnnn3C3CC3)C(=O)N2C1 ZINC001608619943 1019228748 /nfs/dbraw/zinc/22/87/48/1019228748.db2.gz BZWJWZQUVHEWOE-CBAPKCEASA-N -1 0 320.309 -0.365 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001608612712 1019228798 /nfs/dbraw/zinc/22/87/98/1019228798.db2.gz ZGRAMJUYKALSJN-UWVGGRQHSA-N -1 0 318.333 -0.052 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2C1 ZINC001608612309 1019228896 /nfs/dbraw/zinc/22/88/96/1019228896.db2.gz USZQGLSHUJRZCY-YTWAJWBKSA-N -1 0 318.333 -0.339 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2ncccc2F)C1 ZINC001608612678 1019229478 /nfs/dbraw/zinc/22/94/78/1019229478.db2.gz YSPPCLPOUUOUGY-RKDXNWHRSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])C1CC2(C1)C[C@@H](NC(=O)N1CCOCCN1)CCO2 ZINC001608613623 1019229551 /nfs/dbraw/zinc/22/95/51/1019229551.db2.gz RSEWQNBPWQXKGT-CVZZAPKMSA-N -1 0 313.354 -0.055 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2C3CCC2(CO)CC3)C1=O ZINC001608628501 1019230614 /nfs/dbraw/zinc/23/06/14/1019230614.db2.gz DXLXEFZZSQFQKN-LOIXOFCESA-N -1 0 310.350 -0.175 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](CO)[C@H]1CCOC1 ZINC001608626812 1019231068 /nfs/dbraw/zinc/23/10/68/1019231068.db2.gz NGGBTTGJYJPUIZ-QCNOEVLYSA-N -1 0 321.395 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@H](CO)[C@H](CO)C1 ZINC001608628028 1019231253 /nfs/dbraw/zinc/23/12/53/1019231253.db2.gz XOGOTLMTBLAGML-KXNHARMFSA-N -1 0 321.395 -0.508 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)NCCn1ncnn1 ZINC001608626160 1019231931 /nfs/dbraw/zinc/23/19/31/1019231931.db2.gz GNPIFCJVSAMEOW-DTWKUNHWSA-N -1 0 303.344 -0.764 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Cn2cnnn2)c2ccc(F)cc2O1 ZINC001608643039 1019233906 /nfs/dbraw/zinc/23/39/06/1019233906.db2.gz OBIHSPXGMQBTSM-SNVBAGLBSA-N -1 0 307.241 -0.309 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2[C@H]2COC3(CCC3)C2)CCO1 ZINC001608645909 1019234350 /nfs/dbraw/zinc/23/43/50/1019234350.db2.gz DXNLFRDPGGDVMI-NXEZZACHSA-N -1 0 309.326 -0.153 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1CC(c2ccccn2)=NO1 ZINC001608646675 1019234723 /nfs/dbraw/zinc/23/47/23/1019234723.db2.gz SOXSDTOFGKJZEZ-NEPJUHHUSA-N -1 0 305.290 -0.113 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CCC(=O)N1CCCC1 ZINC001608647820 1019235435 /nfs/dbraw/zinc/23/54/35/1019235435.db2.gz BABSVZIFEZGPHR-JTQLQIEISA-N -1 0 304.368 -0.818 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)CCN2CCOCC2)C1 ZINC001608648119 1019235956 /nfs/dbraw/zinc/23/59/56/1019235956.db2.gz OKPYQQMQYCAJNR-NSHDSACASA-N -1 0 302.396 -0.015 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC001608673830 1019237839 /nfs/dbraw/zinc/23/78/39/1019237839.db2.gz HHAVXIVKRDPEMA-RXMQYKEDSA-N -1 0 320.223 -0.006 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)CCN1C(=O)CCNC1=S)C1CC1 ZINC001608669897 1019237948 /nfs/dbraw/zinc/23/79/48/1019237948.db2.gz ICOYNYDKQFLCHH-SECBINFHSA-N -1 0 313.379 -0.147 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC001608674915 1019237969 /nfs/dbraw/zinc/23/79/69/1019237969.db2.gz CTIVDVFJEZJVNP-VHSXEESVSA-N -1 0 312.326 -0.123 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)CN1C(=O)CCC1=O)c1ccncc1 ZINC001608670788 1019238146 /nfs/dbraw/zinc/23/81/46/1019238146.db2.gz TZANWYUKEMUQPW-SNVBAGLBSA-N -1 0 305.290 -0.137 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@H]2CCCO2)CCS(=O)(=O)CC1 ZINC001608682906 1019239419 /nfs/dbraw/zinc/23/94/19/1019239419.db2.gz QTMIUUWJRMIACF-SECBINFHSA-N -1 0 305.352 -0.296 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)CCOC2 ZINC001608675920 1019239746 /nfs/dbraw/zinc/23/97/46/1019239746.db2.gz MOZSSXJATITODP-LBPRGKRZSA-N -1 0 322.317 -0.350 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1cccc2c1OCCO2 ZINC001608676106 1019239858 /nfs/dbraw/zinc/23/98/58/1019239858.db2.gz OSZYVCAGDOXIJZ-QMMMGPOBSA-N -1 0 324.289 -0.652 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NC[C@@]2(CCO)CCOC2)CC1 ZINC001608681693 1019239951 /nfs/dbraw/zinc/23/99/51/1019239951.db2.gz ZMZUMKZERHXFAX-CYBMUJFWSA-N -1 0 321.395 -0.050 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NC[C@@H](CO)[C@H]2CCOC2)CC1 ZINC001608681345 1019240541 /nfs/dbraw/zinc/24/05/41/1019240541.db2.gz PIEWFLDRWRDTJE-QWRGUYRKSA-N -1 0 321.395 -0.194 20 0 DBADRM O=C([O-])CC1(NC(=O)Cn2ncn3nccc3c2=O)CCCC1 ZINC001608683845 1019240646 /nfs/dbraw/zinc/24/06/46/1019240646.db2.gz LQLWYHHQFBFSRS-UHFFFAOYSA-N -1 0 319.321 -0.205 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)c1cccc(Cn2ccnn2)c1 ZINC001608676051 1019240694 /nfs/dbraw/zinc/24/06/94/1019240694.db2.gz UTOBESSPNMOCOF-LBPRGKRZSA-N -1 0 304.306 -0.108 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)CNC(=O)Cc1ccc(O)cc1 ZINC001608676591 1019240835 /nfs/dbraw/zinc/24/08/35/1019240835.db2.gz WRWSTEMFNPEADW-LLVKDONJSA-N -1 0 310.306 -0.997 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cnn(CC2CC2)c1 ZINC001608689804 1019242501 /nfs/dbraw/zinc/24/25/01/1019242501.db2.gz NMZVAOWTGFWTRW-NSHDSACASA-N -1 0 306.322 -0.292 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N2CC[C@]3(CCOC3)C2)C1 ZINC001608690597 1019242585 /nfs/dbraw/zinc/24/25/85/1019242585.db2.gz TTYSMFFJMWECNP-NWHVRFAMSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])CC1(NS(=O)(=O)CCCN2CCOCC2)CC1 ZINC001608688631 1019243179 /nfs/dbraw/zinc/24/31/79/1019243179.db2.gz SKDBNEYLPQJGEH-UHFFFAOYSA-N -1 0 306.384 -0.365 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1Cc2cccnc2C1 ZINC001608688939 1019243411 /nfs/dbraw/zinc/24/34/11/1019243411.db2.gz AIYCFJRPRPASAM-ZYHUDNBSSA-N -1 0 303.318 -0.402 20 0 DBADRM O=C([O-])C[C@H]1CCCCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001608694252 1019245430 /nfs/dbraw/zinc/24/54/30/1019245430.db2.gz YXBWYLTTXLXJGY-LLVKDONJSA-N -1 0 318.395 -0.427 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N2CCSCC2)CCO1 ZINC001608699095 1019245665 /nfs/dbraw/zinc/24/56/65/1019245665.db2.gz YRIBLADHBBABTP-SECBINFHSA-N -1 0 302.352 -0.736 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NCC(=O)N1CCCC1 ZINC001574731861 1019245700 /nfs/dbraw/zinc/24/57/00/1019245700.db2.gz WKOXKZJYJYEHOL-UHFFFAOYSA-N -1 0 317.342 -0.974 20 0 DBADRM O=C([O-])COCC(=O)NCc1cnc(Br)cn1 ZINC001608756475 1019266768 /nfs/dbraw/zinc/26/67/68/1019266768.db2.gz CRJZVPPDIAWZFD-UHFFFAOYSA-N -1 0 304.100 -0.044 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCCCn2cccn2)CCO1 ZINC001608698759 1019246195 /nfs/dbraw/zinc/24/61/95/1019246195.db2.gz NNKLPFJDIGLVSX-NSHDSACASA-N -1 0 324.337 -0.909 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1CCOC1CCOCC1 ZINC001608702835 1019247276 /nfs/dbraw/zinc/24/72/76/1019247276.db2.gz BEDBSOHTBFJZCY-LLVKDONJSA-N -1 0 321.395 -0.244 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1C[C@H](CO)[C@H](CCO)C1 ZINC001608711864 1019247653 /nfs/dbraw/zinc/24/76/53/1019247653.db2.gz IECIQXDIMQFCDP-VXGBXAGGSA-N -1 0 323.411 -0.116 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC001608712626 1019248757 /nfs/dbraw/zinc/24/87/57/1019248757.db2.gz FDYVGCTUJWHQAW-SNVBAGLBSA-N -1 0 308.338 -0.315 20 0 DBADRM O=C([O-])C[C@@H]1CN(c2nnnn2CCOCC2CC2)CCO1 ZINC001608701861 1019248889 /nfs/dbraw/zinc/24/88/89/1019248889.db2.gz RFOSOTGEHIPTKF-LLVKDONJSA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1n[nH]cc1F ZINC001608703106 1019248978 /nfs/dbraw/zinc/24/89/78/1019248978.db2.gz KOWBUSPSIOQEFH-ZCFIWIBFSA-N -1 0 305.287 -0.737 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001608701305 1019249043 /nfs/dbraw/zinc/24/90/43/1019249043.db2.gz WPFJPPQIJRKHSQ-FBIMIBRVSA-N -1 0 310.310 -0.710 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCCN1CCSCC1 ZINC001608714330 1019249890 /nfs/dbraw/zinc/24/98/90/1019249890.db2.gz FVQLQTKEARHKHQ-UHFFFAOYSA-N -1 0 303.384 -0.868 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCCC[C@@H]1C1OCCO1 ZINC001608714371 1019250143 /nfs/dbraw/zinc/25/01/43/1019250143.db2.gz LTDDDKVWLPOTQK-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM O=C([O-])CCCNC(=S)NC[C@@H](O)CN1CCCC1=O ZINC001608714806 1019250418 /nfs/dbraw/zinc/25/04/18/1019250418.db2.gz AIODEOPZRRHWGO-SECBINFHSA-N -1 0 303.384 -0.701 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001608727116 1019253461 /nfs/dbraw/zinc/25/34/61/1019253461.db2.gz GEKFHQAEGQUJON-VIFPVBQESA-N -1 0 320.367 -0.949 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)c2cnn3ccncc23)C1=O ZINC001608724124 1019252900 /nfs/dbraw/zinc/25/29/00/1019252900.db2.gz FZCXZYSAVDNMPE-NSHDSACASA-N -1 0 318.289 -0.038 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)C(=O)N(C1CC1)C1CC1 ZINC001608726815 1019253386 /nfs/dbraw/zinc/25/33/86/1019253386.db2.gz ICYBATAFJISMAX-UHFFFAOYSA-N -1 0 311.338 -0.763 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](OC(=O)[C@@H]2CCNC(=O)C2)C1=O ZINC001608725940 1019254639 /nfs/dbraw/zinc/25/46/39/1019254639.db2.gz XHVOCAAYAQOIJB-NXEZZACHSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCCC1CC(O)C1 ZINC001608728128 1019255555 /nfs/dbraw/zinc/25/55/55/1019255555.db2.gz RGYZORFFNUAKCY-UHFFFAOYSA-N -1 0 301.343 -0.572 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)Cn1c(=O)oc2ccccc21 ZINC001608729810 1019256122 /nfs/dbraw/zinc/25/61/22/1019256122.db2.gz WTAOUHSHJULQDS-UHFFFAOYSA-N -1 0 322.273 -0.271 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCN3C(=O)N=NC3C2)O1 ZINC001608736059 1019256221 /nfs/dbraw/zinc/25/62/21/1019256221.db2.gz NYUXPXXLPKSFAP-DTWKUNHWSA-N -1 0 310.310 -0.262 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1cncc(-n2ccnn2)c1 ZINC001608729169 1019256624 /nfs/dbraw/zinc/25/66/24/1019256624.db2.gz BWMYCAVRKCNUMC-UHFFFAOYSA-N -1 0 319.277 -0.590 20 0 DBADRM O=C([O-])CN(CCC(F)(F)F)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001608744698 1019261058 /nfs/dbraw/zinc/26/10/58/1019261058.db2.gz UOQJHXHVACPGKP-LURJTMIESA-N -1 0 318.273 -0.456 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCCOC1CCC1 ZINC001608728027 1019258302 /nfs/dbraw/zinc/25/83/02/1019258302.db2.gz NMOUTTCNXZNUFT-UHFFFAOYSA-N -1 0 301.343 -0.164 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])[nH]2)C1 ZINC001574804661 1019258964 /nfs/dbraw/zinc/25/89/64/1019258964.db2.gz CQKBRABJYOGFSM-ZETCQYMHSA-N -1 0 301.324 -0.537 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CC1(Cn2cnnn2)CCCCC1 ZINC001574806077 1019259184 /nfs/dbraw/zinc/25/91/84/1019259184.db2.gz NIAKUSVIUNDRAB-JTQLQIEISA-N -1 0 311.342 -0.425 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)Cc1cn(C2CC2)nn1 ZINC001608745722 1019260062 /nfs/dbraw/zinc/26/00/62/1019260062.db2.gz ISXLGZZBFUYRPM-UHFFFAOYSA-N -1 0 309.370 -0.168 20 0 DBADRM O=C([O-])CNC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1 ZINC001608749699 1019260865 /nfs/dbraw/zinc/26/08/65/1019260865.db2.gz BDICMEIJVUTIKF-UHFFFAOYSA-N -1 0 308.290 -0.429 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CC1OCCCO1 ZINC001608745457 1019261726 /nfs/dbraw/zinc/26/17/26/1019261726.db2.gz MIRFIAGMQLOBCQ-UHFFFAOYSA-N -1 0 316.354 -0.615 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CCc1ccon1 ZINC001608745351 1019261835 /nfs/dbraw/zinc/26/18/35/1019261835.db2.gz CPXABAWDHCYWPB-UHFFFAOYSA-N -1 0 311.338 -0.147 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC001608752148 1019263175 /nfs/dbraw/zinc/26/31/75/1019263175.db2.gz MFNWTGIGBJDLTE-SECBINFHSA-N -1 0 305.290 -0.571 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)C[C@H]1CCC2(CCC2)O1 ZINC001608752584 1019264216 /nfs/dbraw/zinc/26/42/16/1019264216.db2.gz DCCOUMMZOXZVGA-SECBINFHSA-N -1 0 320.367 -0.792 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1cnn2c1NCCC2 ZINC001608751474 1019264652 /nfs/dbraw/zinc/26/46/52/1019264652.db2.gz QGADBBRORRBCOW-SNVBAGLBSA-N -1 0 321.337 -0.496 20 0 DBADRM O=C([O-])COCCNC(=O)NCCCNC(=O)C1CCC1 ZINC001608757510 1019268218 /nfs/dbraw/zinc/26/82/18/1019268218.db2.gz HSJKIIDADQCFBZ-UHFFFAOYSA-N -1 0 301.343 -0.307 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1ccnc2n[nH]nc21 ZINC001608751201 1019264754 /nfs/dbraw/zinc/26/47/54/1019264754.db2.gz OGOKPAOPHXXCER-MRVPVSSYSA-N -1 0 318.293 -0.842 20 0 DBADRM O=C([O-])COCC(=O)N[C@@H](C1CC1)C1(CO)CCOCC1 ZINC001608756598 1019266696 /nfs/dbraw/zinc/26/66/96/1019266696.db2.gz YLEZUGLCCMYCTB-ZDUSSCGKSA-N -1 0 301.339 -0.229 20 0 DBADRM O=C([O-])COCC(=O)Nc1cc(-c2cccnc2)nn1CCO ZINC001608756701 1019266704 /nfs/dbraw/zinc/26/67/04/1019266704.db2.gz LXZPNNHALHMIRC-UHFFFAOYSA-N -1 0 320.305 -0.023 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)[C@@H]2CC(=O)N2)cc1 ZINC001608753975 1019267608 /nfs/dbraw/zinc/26/76/08/1019267608.db2.gz XEUUWKFPBHLWTQ-JTQLQIEISA-N -1 0 305.290 -0.743 20 0 DBADRM O=C([O-])COCC(=O)OCC(=O)NC(=O)NCc1ccco1 ZINC001608756610 1019267813 /nfs/dbraw/zinc/26/78/13/1019267813.db2.gz APLFHFKDWVTWAP-UHFFFAOYSA-N -1 0 314.250 -0.750 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1cnn(CCF)c1 ZINC001608756998 1019267948 /nfs/dbraw/zinc/26/79/48/1019267948.db2.gz PDPIOEJDXLJTSB-UHFFFAOYSA-N -1 0 302.262 -0.992 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1nnc(C(F)F)s1 ZINC001608753350 1019268834 /nfs/dbraw/zinc/26/88/34/1019268834.db2.gz ZZYRQUOCNCISRC-UHFFFAOYSA-N -1 0 309.254 -0.202 20 0 DBADRM O=C([O-])COc1ccc(C(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC001608758300 1019270471 /nfs/dbraw/zinc/27/04/71/1019270471.db2.gz HKGLVKVHLVKSRV-NSHDSACASA-N -1 0 320.305 -0.468 20 0 DBADRM O=C([O-])COCCNC(=O)c1ccc(N2CCOCC2)nc1 ZINC001608757839 1019270860 /nfs/dbraw/zinc/27/08/60/1019270860.db2.gz IABJOJAMNXDBFL-UHFFFAOYSA-N -1 0 309.322 -0.251 20 0 DBADRM O=C([O-])CSCCNC(=O)CNC(=O)c1ncccc1O ZINC001608767529 1019271143 /nfs/dbraw/zinc/27/11/43/1019271143.db2.gz VXARGUIQXNRYSD-UHFFFAOYSA-N -1 0 313.335 -0.549 20 0 DBADRM O=C([O-])COc1ccc(C(=O)NC[C@@]2(CO)COCCN2)cc1 ZINC001608758417 1019271452 /nfs/dbraw/zinc/27/14/52/1019271452.db2.gz ZVUVHNJTFNMMBW-OAHLLOKOSA-N -1 0 324.333 -0.769 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1cnc2n1CCCC2 ZINC001608758020 1019271589 /nfs/dbraw/zinc/27/15/89/1019271589.db2.gz AYYMPAFXCFUDBU-UHFFFAOYSA-N -1 0 303.340 -0.401 20 0 DBADRM CC(C)[C@@H](F)C(=O)NC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574839238 1019272486 /nfs/dbraw/zinc/27/24/86/1019272486.db2.gz CJCRFIDTYNBTKW-PSASIEDQSA-N -1 0 322.348 -0.011 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)CN2CCNC(=O)C2)cc1 ZINC001608760438 1019272467 /nfs/dbraw/zinc/27/24/67/1019272467.db2.gz HNUOIAFFHQYHKU-UHFFFAOYSA-N -1 0 307.306 -0.480 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)CSc2cccc[n+]2[O-])n[nH]1 ZINC001608793513 1019273168 /nfs/dbraw/zinc/27/31/68/1019273168.db2.gz YZZUUSRQZDFALC-UHFFFAOYSA-N -1 0 309.307 -0.204 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)[C@@H]2CCNC(=O)CC2)nn1 ZINC001608796584 1019273422 /nfs/dbraw/zinc/27/34/22/1019273422.db2.gz FBVGENMHWUZZHZ-VIFPVBQESA-N -1 0 310.310 -0.635 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC[C@H](O)c2ccco2)cn1 ZINC001608797981 1019274433 /nfs/dbraw/zinc/27/44/33/1019274433.db2.gz CCSQKZGUACALAC-VIFPVBQESA-N -1 0 315.307 -0.427 20 0 DBADRM O=C([O-])Cn1cc(CN[C@@H]2CCN(CC(F)(F)F)C2=O)nn1 ZINC001608797641 1019274631 /nfs/dbraw/zinc/27/46/31/1019274631.db2.gz RASKRNCRYYMTJI-MRVPVSSYSA-N -1 0 321.259 -0.385 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)C2CC3(C2)CS(=O)(=O)C3)n[nH]1 ZINC001608793473 1019274655 /nfs/dbraw/zinc/27/46/55/1019274655.db2.gz WNSAHCILMWAWME-UHFFFAOYSA-N -1 0 314.323 -0.805 20 0 DBADRM O=C([O-])Cn1cc(CN2CCN(c3cccnn3)CC2)nn1 ZINC001608797327 1019274855 /nfs/dbraw/zinc/27/48/55/1019274855.db2.gz ZJRBWZVYNYCWJW-UHFFFAOYSA-N -1 0 303.326 -0.525 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)N2C[C@H](O)[C@@H](CO)C2)n1 ZINC001608792534 1019275328 /nfs/dbraw/zinc/27/53/28/1019275328.db2.gz LRVWZRXWIMSACR-SVRRBLITSA-N -1 0 301.324 -0.413 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@@H](CO)[C@H]2CCCOC2)C1 ZINC001608824329 1019287248 /nfs/dbraw/zinc/28/72/48/1019287248.db2.gz QXNSYJUXYMDSEP-MMWGEVLESA-N -1 0 307.368 -0.444 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@H]2CC(c3ccccn3)=NO2)n[nH]1 ZINC001608793466 1019276243 /nfs/dbraw/zinc/27/62/43/1019276243.db2.gz VWNZUBFWQUFXBX-SECBINFHSA-N -1 0 316.277 -0.042 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCN3CCC2CC3)cn1 ZINC001608798053 1019276309 /nfs/dbraw/zinc/27/63/09/1019276309.db2.gz IGWVIIYKLHROIG-UHFFFAOYSA-N -1 0 314.367 -0.564 20 0 DBADRM O=C([O-])Cc1occc1C(=O)N1CC2(C1)C[C@H](O)CNC2=O ZINC001608793822 1019276773 /nfs/dbraw/zinc/27/67/73/1019276773.db2.gz QNURIAIMMKRIFZ-QMMMGPOBSA-N -1 0 308.290 -0.770 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)CCC(=O)N2CCC(O)CC2)n1 ZINC001608798721 1019279637 /nfs/dbraw/zinc/27/96/37/1019279637.db2.gz MHMREOXLBRFDEB-UHFFFAOYSA-N -1 0 324.337 -0.330 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2C[C@H](CO)[C@H](CCO)C2)C1 ZINC001608805445 1019280052 /nfs/dbraw/zinc/28/00/52/1019280052.db2.gz QOGCHLRAFWGFMV-KKOKHZNYSA-N -1 0 321.395 -0.508 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2C[C@H](CCO)[C@H](CO)C2)C1 ZINC001608809886 1019281582 /nfs/dbraw/zinc/28/15/82/1019281582.db2.gz QRYJYMJTENLVNB-ZDEQEGDKSA-N -1 0 315.366 -0.294 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N(C[C@H]2C[C@@H]3COC[C@@H]3O2)C1=O ZINC001608813630 1019281713 /nfs/dbraw/zinc/28/17/13/1019281713.db2.gz AVOCZQLPUOLILK-FKUYFSDWSA-N -1 0 310.306 -0.569 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)Cn1ncc(=O)c2ccccc21 ZINC001608810070 1019281988 /nfs/dbraw/zinc/28/19/88/1019281988.db2.gz DDFYWWNZKCJKDN-SKDRFNHKSA-N -1 0 317.301 -0.557 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001608810191 1019283155 /nfs/dbraw/zinc/28/31/55/1019283155.db2.gz LEKLEUYJWYFCNG-CWKFCGSDSA-N -1 0 313.228 -0.621 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N(CCCO[C@@H]2CCOC2)C1=O ZINC001608814178 1019283890 /nfs/dbraw/zinc/28/38/90/1019283890.db2.gz REZYISYTAIRGJD-DBIOUOCHSA-N -1 0 312.322 -0.177 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCS(=O)(=O)CC2)C1 ZINC001608810282 1019283902 /nfs/dbraw/zinc/28/39/02/1019283902.db2.gz PPBIKLPGMGCFKD-VHSXEESVSA-N -1 0 305.352 -0.487 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCOC1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574874074 1019285478 /nfs/dbraw/zinc/28/54/78/1019285478.db2.gz BLBKGLRPFXABIF-BDAKNGLRSA-N -1 0 318.341 -0.968 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCC[C@H](OCCO)C2)C1 ZINC001608824429 1019285385 /nfs/dbraw/zinc/28/53/85/1019285385.db2.gz VNUXTOLBERNJCF-GARJFASQSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2C[C@H](CO)[C@H](CCO)C2)C1 ZINC001608823583 1019285858 /nfs/dbraw/zinc/28/58/58/1019285858.db2.gz BUFGXUICGSTVSV-DBIOUOCHSA-N -1 0 307.368 -0.898 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1cccc(Cn2ccnn2)c1 ZINC001608823680 1019285984 /nfs/dbraw/zinc/28/59/84/1019285984.db2.gz JPXNCLOWNVNVGJ-CHWSQXEVSA-N -1 0 316.317 -0.014 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CC[C@H](c3nnc[nH]3)C2)C1 ZINC001608824392 1019286684 /nfs/dbraw/zinc/28/66/84/1019286684.db2.gz UGQVCKHRUGFASV-XHNCKOQMSA-N -1 0 300.340 -0.213 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC001608823862 1019287162 /nfs/dbraw/zinc/28/71/62/1019287162.db2.gz XGSBZGGFPWMZCI-GRYCIOLGSA-N -1 0 322.317 -0.091 20 0 DBADRM O=C(NCCNC(=O)[C@@H]1CC=CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001574864805 1019287641 /nfs/dbraw/zinc/28/76/41/1019287641.db2.gz NLLXHXANORSLMT-MRVPVSSYSA-N -1 0 307.310 -0.515 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)on1 ZINC001608835711 1019287985 /nfs/dbraw/zinc/28/79/85/1019287985.db2.gz SSJFBPFALFCOLJ-MRVPVSSYSA-N -1 0 323.305 -0.524 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H](CO)[C@H]2CCOC2)c[nH]1 ZINC001608860059 1019288870 /nfs/dbraw/zinc/28/88/70/1019288870.db2.gz TUOXAJUSXCOZTI-XVKPBYJWSA-N -1 0 304.324 -0.611 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)on1 ZINC001608858862 1019289489 /nfs/dbraw/zinc/28/94/89/1019289489.db2.gz MHSATBRCQJCOCO-MRVPVSSYSA-N -1 0 317.323 -0.922 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@H](O)CC(F)(F)C2)n[nH]1 ZINC001608858178 1019289538 /nfs/dbraw/zinc/28/95/38/1019289538.db2.gz YOHGUJXFYSKHKF-RXMQYKEDSA-N -1 0 311.266 -0.502 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H](CO)[C@@H]2CCCOC2)n[nH]1 ZINC001608859852 1019289857 /nfs/dbraw/zinc/28/98/57/1019289857.db2.gz KYMXQDYASZFCIR-APPZFPTMSA-N -1 0 319.339 -0.826 20 0 DBADRM O=C([O-])c1cc(F)ccc1S(=O)(=O)NCCn1ncnn1 ZINC001608851996 1019291022 /nfs/dbraw/zinc/29/10/22/1019291022.db2.gz VTMSLJRPPIVXFW-UHFFFAOYSA-N -1 0 315.286 -0.511 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)N1CCOCCN1 ZINC001608866346 1019293634 /nfs/dbraw/zinc/29/36/34/1019293634.db2.gz FAZSLCWBGIZOCS-SECBINFHSA-N -1 0 309.326 -0.037 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC001608880087 1019294734 /nfs/dbraw/zinc/29/47/34/1019294734.db2.gz PBEVYONYFBGTPN-LLVKDONJSA-N -1 0 317.301 -0.310 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)n1 ZINC001608950204 1019296630 /nfs/dbraw/zinc/29/66/30/1019296630.db2.gz CAGUDKDFGYOMQX-ZYHUDNBSSA-N -1 0 322.321 -0.913 20 0 DBADRM O=C([O-])c1cccc(C(=O)NCc2nnc3c(=O)[nH]ccn23)n1 ZINC001608929268 1019296695 /nfs/dbraw/zinc/29/66/95/1019296695.db2.gz OTARIDNXNDXGSI-UHFFFAOYSA-N -1 0 314.261 -0.559 20 0 DBADRM O=C([O-])c1cccc(CC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC001608930193 1019296852 /nfs/dbraw/zinc/29/68/52/1019296852.db2.gz OHCLCDPIPPMBNT-PHIMTYICSA-N -1 0 302.286 -0.342 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCn3ncnc3C2)c1=O ZINC001608949797 1019296910 /nfs/dbraw/zinc/29/69/10/1019296910.db2.gz KLWODPBDEKMIQR-UHFFFAOYSA-N -1 0 303.278 -0.820 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CCN3CCOC3=O)C2)nn1 ZINC001608962307 1019298427 /nfs/dbraw/zinc/29/84/27/1019298427.db2.gz IKWWUXBQSMCCJI-UHFFFAOYSA-N -1 0 309.282 -0.798 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)CCN3CCCC3=O)C2)nn1 ZINC001608959806 1019299996 /nfs/dbraw/zinc/29/99/96/1019299996.db2.gz LIWBGRZXHDBMBC-JTQLQIEISA-N -1 0 321.337 -0.238 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N1CCN(C2CC2)C(=O)C1 ZINC001608955956 1019300248 /nfs/dbraw/zinc/30/02/48/1019300248.db2.gz YPZWTDPWRJJLTL-UHFFFAOYSA-N -1 0 314.319 -0.027 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N2CCCn3nncc3C2)c1 ZINC001608954814 1019300412 /nfs/dbraw/zinc/30/04/12/1019300412.db2.gz RNVFGHHJKUYGST-UHFFFAOYSA-N -1 0 323.334 -0.034 20 0 DBADRM O=C([O-])c1cnc(C(=O)N[C@H](CO)Cc2cncs2)cn1 ZINC001608966017 1019301695 /nfs/dbraw/zinc/30/16/95/1019301695.db2.gz XVJHLYRKCYJGHM-ZETCQYMHSA-N -1 0 308.319 -0.035 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](CNC(=O)c3cnon3)C2)nc1 ZINC001608974181 1019303025 /nfs/dbraw/zinc/30/30/25/1019303025.db2.gz GYHXULOUZUONRG-MRVPVSSYSA-N -1 0 318.293 -0.186 20 0 DBADRM O=C([O-])c1cnc(NCC=CCNC(=O)c2nnc[nH]2)nc1 ZINC001608977564 1019304800 /nfs/dbraw/zinc/30/48/00/1019304800.db2.gz QCHXNGAQLCOQDI-OWOJBTEDSA-N -1 0 303.282 -0.309 20 0 DBADRM O=C([O-])c1cnc(NC/C=C/CNC(=O)[C@H]2COCCO2)nc1 ZINC001608977626 1019305121 /nfs/dbraw/zinc/30/51/21/1019305121.db2.gz SPMJNBMZIBVYJV-FMBMQGQPSA-N -1 0 322.321 -0.326 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCN(CC(F)F)CC2)c1 ZINC001608984979 1019305984 /nfs/dbraw/zinc/30/59/84/1019305984.db2.gz YSBRMDAILBVWRN-UHFFFAOYSA-N -1 0 302.281 -0.009 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)NC[C@H](O)C(F)(F)F)c1 ZINC001608982858 1019306257 /nfs/dbraw/zinc/30/62/57/1019306257.db2.gz BVXBPGYCOXYWKU-ZETCQYMHSA-N -1 0 314.241 -0.019 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)[C@H]2CC23CCC3)n1 ZINC001608999087 1019307403 /nfs/dbraw/zinc/30/74/03/1019307403.db2.gz MEXIFXDGGCXLQZ-NXEZZACHSA-N -1 0 320.349 -0.324 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)n1 ZINC001608999686 1019307630 /nfs/dbraw/zinc/30/76/30/1019307630.db2.gz NJKRLAXKNKKREA-WSHGPQCASA-N -1 0 318.333 -0.308 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)C2(C3CC3)CC2)n1 ZINC001608999335 1019307923 /nfs/dbraw/zinc/30/79/23/1019307923.db2.gz VTQHGGQGOJDWQE-JTQLQIEISA-N -1 0 320.349 -0.324 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)[C@@H]3CCCO3)CC2)n1 ZINC001608999226 1019308402 /nfs/dbraw/zinc/30/84/02/1019308402.db2.gz QQRUCCDYUSKHRP-VIFPVBQESA-N -1 0 306.322 -0.164 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCOC3)C2)n1 ZINC001608999896 1019308681 /nfs/dbraw/zinc/30/86/81/1019308681.db2.gz ZCQHOTACJLUVKN-LPEHRKFASA-N -1 0 306.322 -0.308 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)[C@H]3CCOC3)C2)n1 ZINC001608999847 1019308809 /nfs/dbraw/zinc/30/88/09/1019308809.db2.gz WFQATFVWDHMSML-UWVGGRQHSA-N -1 0 306.322 -0.354 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)n1 ZINC001608999542 1019309141 /nfs/dbraw/zinc/30/91/41/1019309141.db2.gz FHXDPAIFZSLNIF-UWVGGRQHSA-N -1 0 322.321 -0.975 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)[C@@H]3CCOC3)C2)n1 ZINC001608997495 1019309502 /nfs/dbraw/zinc/30/95/02/1019309502.db2.gz CRJOVNGTYRXFKH-NXEZZACHSA-N -1 0 306.322 -0.094 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N[C@@H](CO)[C@@H]1CCOC1 ZINC001609003532 1019310002 /nfs/dbraw/zinc/31/00/02/1019310002.db2.gz QFTPWHFMIDEXIZ-RQJHMYQMSA-N -1 0 322.364 -0.483 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N1CCN(CCO)CC1 ZINC001609000507 1019310330 /nfs/dbraw/zinc/31/03/30/1019310330.db2.gz CSTRYSPYEOHHFP-UHFFFAOYSA-N -1 0 315.351 -0.922 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NCCN1CCCC1=O ZINC001609005655 1019311164 /nfs/dbraw/zinc/31/11/64/1019311164.db2.gz XEJMTAFVQBXPAA-UHFFFAOYSA-N -1 0 319.364 -0.258 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NC[C@]1(O)CCOC1 ZINC001609000520 1019312127 /nfs/dbraw/zinc/31/21/27/1019312127.db2.gz DJWOHWOSBPLAEJ-LLVKDONJSA-N -1 0 302.308 -0.791 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NCCN1CCNC1=O ZINC001609003540 1019313007 /nfs/dbraw/zinc/31/30/07/1019313007.db2.gz QPFJIGVLYIMNQL-UHFFFAOYSA-N -1 0 320.352 -0.855 20 0 DBADRM O=C([O-])c1cn(CCOC(=O)c2cnc3n[nH]nc3c2)nn1 ZINC001609023927 1019314198 /nfs/dbraw/zinc/31/41/98/1019314198.db2.gz DOEDAWHMGQMPNE-UHFFFAOYSA-N -1 0 303.238 -0.500 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001609034384 1019315869 /nfs/dbraw/zinc/31/58/69/1019315869.db2.gz NDWGWTUMILOYBC-NXEZZACHSA-N -1 0 314.338 -0.375 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001609036505 1019316207 /nfs/dbraw/zinc/31/62/07/1019316207.db2.gz WQSRJCFVOSAAAN-JGVFFNPUSA-N -1 0 320.305 -0.415 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)N2CCNC(=O)CC2)ccc1F ZINC001609038544 1019316740 /nfs/dbraw/zinc/31/67/40/1019316740.db2.gz JCEMWCPXXUQPMF-UHFFFAOYSA-N -1 0 323.280 -0.189 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001609034386 1019317050 /nfs/dbraw/zinc/31/70/50/1019317050.db2.gz NDWGWTUMILOYBC-VHSXEESVSA-N -1 0 314.338 -0.375 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001609039615 1019317506 /nfs/dbraw/zinc/31/75/06/1019317506.db2.gz AQIZDUDTSOABGZ-LURJTMIESA-N -1 0 311.319 -0.220 20 0 DBADRM O=C([O-])c1ccc2c(c1)NC(=O)CN2C(=O)[C@H]1COC(=O)N1 ZINC001609041162 1019318044 /nfs/dbraw/zinc/31/80/44/1019318044.db2.gz QWTPKFPELXJSDC-MRVPVSSYSA-N -1 0 305.246 -0.222 20 0 DBADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001609044034 1019318777 /nfs/dbraw/zinc/31/87/77/1019318777.db2.gz JOSFAIBPJQOVSP-QWRGUYRKSA-N -1 0 317.301 -0.377 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)n1 ZINC001609040789 1019318822 /nfs/dbraw/zinc/31/88/22/1019318822.db2.gz YIRFAKMTLWPSRF-GXSJLCMTSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])c1cnc(N[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)nc1 ZINC001609044558 1019320736 /nfs/dbraw/zinc/32/07/36/1019320736.db2.gz XBNAYAWWZZHPFS-BDAKNGLRSA-N -1 0 321.293 -0.704 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)Nc2cccc3c2CNC3=O)C1 ZINC001609046066 1019321814 /nfs/dbraw/zinc/32/18/14/1019321814.db2.gz YOOBQSAWWABNLK-CQSZACIVSA-N -1 0 305.290 -0.017 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cn1 ZINC001609044762 1019321866 /nfs/dbraw/zinc/32/18/66/1019321866.db2.gz WDYUSPAVRVQYAB-CQSZACIVSA-N -1 0 318.289 -0.406 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2ccc3c(c2)C(=O)NCCO3)C1 ZINC001609044941 1019321932 /nfs/dbraw/zinc/32/19/32/1019321932.db2.gz CVUDKUSRULLTHE-HNNXBMFYSA-N -1 0 320.301 -0.530 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)on1 ZINC001609044814 1019322896 /nfs/dbraw/zinc/32/28/96/1019322896.db2.gz YFAILVOUVTVYAW-IYQDAUBNSA-N -1 0 322.277 -0.519 20 0 DBADRM O=Cc1cncc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c1 ZINC001609050204 1019323578 /nfs/dbraw/zinc/32/35/78/1019323578.db2.gz SRUSPOJHULHHHC-UHFFFAOYSA-N -1 0 321.333 -0.247 20 0 DBADRM C[C@H](C(=O)NCc1cccc(F)n1)n1cnc(-c2nnn[n-]2)n1 ZINC001609069996 1019330672 /nfs/dbraw/zinc/33/06/72/1019330672.db2.gz IHUZVJNMYODCEU-SSDOTTSWSA-N -1 0 317.288 -0.130 20 0 DBADRM C[C@H](C(=O)OCc1cnns1)n1cnc(-c2nnn[n-]2)n1 ZINC001609072657 1019331754 /nfs/dbraw/zinc/33/17/54/1019331754.db2.gz ZKTGXXJMHXWNKQ-RXMQYKEDSA-N -1 0 307.299 -0.386 20 0 DBADRM C[C@@H](C(=O)N[C@@]1(C)CCCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609069189 1019333680 /nfs/dbraw/zinc/33/36/80/1019333680.db2.gz SKNFFFVYGYAOSW-UFBFGSQYSA-N -1 0 306.330 -0.296 20 0 DBADRM C[C@H](C(=O)N1CC[C@]2(CCOC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068822 1019335081 /nfs/dbraw/zinc/33/50/81/1019335081.db2.gz NRBFFBLRPOQVBB-RNCFNFMXSA-N -1 0 318.341 -0.342 20 0 DBADRM C[C@@H](CCCO)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001609110708 1019336305 /nfs/dbraw/zinc/33/63/05/1019336305.db2.gz YFHPIQOFZVXAKL-QMMMGPOBSA-N -1 0 323.357 -0.915 20 0 DBADRM C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609115249 1019346370 /nfs/dbraw/zinc/34/63/70/1019346370.db2.gz QJFZBTFFQICKLA-INMOSUBGSA-N -1 0 319.368 -0.495 20 0 DBADRM C[C@@H](NC(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCOC1 ZINC001609120283 1019347476 /nfs/dbraw/zinc/34/74/76/1019347476.db2.gz CSFZDWXUTGGPLS-RKDXNWHRSA-N -1 0 321.345 -0.818 20 0 DBADRM C[C@H](C(=O)NC[C@@H](C)C[C@H](C)O)n1cnc(-c2nnn[n-]2)n1 ZINC001609128291 1019348495 /nfs/dbraw/zinc/34/84/95/1019348495.db2.gz KDNBBCLZEMQKSP-XHNCKOQMSA-N -1 0 308.346 -0.458 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609128997 1019352076 /nfs/dbraw/zinc/35/20/76/1019352076.db2.gz KMIVXPLWMNJPCC-BDAKNGLRSA-N -1 0 321.337 -0.224 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2cn3c(n2)CCC3)c1[O-] ZINC001575026107 1019363257 /nfs/dbraw/zinc/36/32/57/1019363257.db2.gz DOGOSDALXNYMEE-UHFFFAOYSA-N -1 0 318.337 -0.274 20 0 DBADRM O=C(NCCNC(=O)C1=CCCC1)c1c[n-]n2c1nccc2=O ZINC001575021406 1019363570 /nfs/dbraw/zinc/36/35/70/1019363570.db2.gz NRNATWIHUJWFJG-UHFFFAOYSA-N -1 0 315.333 -0.021 20 0 DBADRM CCn1nnc(C)c1C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001575027856 1019364207 /nfs/dbraw/zinc/36/42/07/1019364207.db2.gz YNFZMUWQSRLVCN-UHFFFAOYSA-N -1 0 321.341 -0.497 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)[C@H]1CO ZINC001609169177 1019365974 /nfs/dbraw/zinc/36/59/74/1019365974.db2.gz VXGUIRXJBMKPNC-SFYZADRCSA-N -1 0 313.339 -0.149 20 0 DBADRM CCCC[C@@H]1NC(=O)N(CCn2cnc(-c3nnn[n-]3)n2)C1=O ZINC001609208365 1019374307 /nfs/dbraw/zinc/37/43/07/1019374307.db2.gz RLBFQUGNTKPDFY-QMMMGPOBSA-N -1 0 319.329 -0.431 20 0 DBADRM CCCC[C@@H](NCCn1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC001609208149 1019375825 /nfs/dbraw/zinc/37/58/25/1019375825.db2.gz JOELQJYNUCVONK-SECBINFHSA-N -1 0 308.346 -0.220 20 0 DBADRM CCC[C@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609205939 1019377945 /nfs/dbraw/zinc/37/79/45/1019377945.db2.gz FBZOQGQSNBVVLK-ZETCQYMHSA-N -1 0 301.328 -0.101 20 0 DBADRM CCCN(CC(N)=O)C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609212725 1019378119 /nfs/dbraw/zinc/37/81/19/1019378119.db2.gz IKFUSYLNDUYART-UHFFFAOYSA-N -1 0 304.310 -0.090 20 0 DBADRM CCN(C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)[C@@H]1CCOC1 ZINC001609219025 1019379116 /nfs/dbraw/zinc/37/91/16/1019379116.db2.gz QMZFSRHAKGYYIF-RKDXNWHRSA-N -1 0 306.330 -0.343 20 0 DBADRM CCCNC(=O)[C@H](C)OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609215655 1019380082 /nfs/dbraw/zinc/38/00/82/1019380082.db2.gz XJRPLBINFSQBRG-SFYZADRCSA-N -1 0 322.329 -0.523 20 0 DBADRM CCOC1CC(n2c(=O)c(-c3nnn[n-]3)cn(CC)c2=O)C1 ZINC001609238444 1019380536 /nfs/dbraw/zinc/38/05/36/1019380536.db2.gz LQMPLOVIVGGVAC-UHFFFAOYSA-N -1 0 306.326 -0.050 20 0 DBADRM CCOC[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(C)C ZINC001609239525 1019386649 /nfs/dbraw/zinc/38/66/49/1019386649.db2.gz MURLJLGFHPAMSZ-VIFPVBQESA-N -1 0 308.346 -0.365 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC[C@H]2CCOC2)c1=O ZINC001609258040 1019389203 /nfs/dbraw/zinc/38/92/03/1019389203.db2.gz PLQIEIXFZHPCGZ-VIFPVBQESA-N -1 0 306.326 -0.363 20 0 DBADRM CCc1cc(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)[nH]n1 ZINC001609251180 1019390113 /nfs/dbraw/zinc/39/01/13/1019390113.db2.gz YNGYFWDSZMWUSG-SSDOTTSWSA-N -1 0 316.329 -0.379 20 0 DBADRM CN(C[C@H](O)C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609272954 1019399873 /nfs/dbraw/zinc/39/98/73/1019399873.db2.gz JMDQPSDEJCTGAZ-QMMMGPOBSA-N -1 0 313.339 -0.149 20 0 DBADRM CN(C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)[C@H]1CCN(C)C1=O ZINC001609284019 1019401747 /nfs/dbraw/zinc/40/17/47/1019401747.db2.gz ZIHBJZBJUSHOON-JTQLQIEISA-N -1 0 316.321 -0.125 20 0 DBADRM COCc1nocc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609331825 1019437015 /nfs/dbraw/zinc/43/70/15/1019437015.db2.gz GYQOTTRZCWFRGO-UHFFFAOYSA-N -1 0 319.285 -0.977 20 0 DBADRM Cc1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c(C)[nH]1 ZINC001609394321 1019449086 /nfs/dbraw/zinc/44/90/86/1019449086.db2.gz ADHJTDLRFAFEHN-UHFFFAOYSA-N -1 0 301.314 -0.167 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1 ZINC001609441907 1019454953 /nfs/dbraw/zinc/45/49/53/1019454953.db2.gz UYENUAJVGPAMOT-UHFFFAOYSA-N -1 0 323.342 -0.557 20 0 DBADRM Nc1nc(Cl)cc(NCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001609513010 1019496998 /nfs/dbraw/zinc/49/69/98/1019496998.db2.gz FKAXKEYROGZPPE-UHFFFAOYSA-N -1 0 307.709 -0.404 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCOc1ccccc1 ZINC001609538042 1019499978 /nfs/dbraw/zinc/49/99/78/1019499978.db2.gz NDRMZHOHKXSBFJ-UHFFFAOYSA-N -1 0 314.309 -0.347 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)cc1=O)N1CCCCCC1 ZINC001609537426 1019501770 /nfs/dbraw/zinc/50/17/70/1019501770.db2.gz PZGFEFXMYSFHAU-UHFFFAOYSA-N -1 0 303.326 -0.174 20 0 DBADRM O=C(COc1cnc(-c2nnn[n-]2)nc1)N[C@@H]1CCSC1=O ZINC001609533681 1019505853 /nfs/dbraw/zinc/50/58/53/1019505853.db2.gz OXUIIFCNGMVGQF-SSDOTTSWSA-N -1 0 321.322 -0.816 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)Nc1cccnc1 ZINC001609551594 1019512361 /nfs/dbraw/zinc/51/23/61/1019512361.db2.gz GWIIALFOESLAHX-UHFFFAOYSA-N -1 0 300.286 -0.325 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)c1cccc(-c2nn[nH]n2)n1 ZINC001609560471 1019515958 /nfs/dbraw/zinc/51/59/58/1019515958.db2.gz PUSVSXGWWUTKEZ-UHFFFAOYSA-N -1 0 320.294 -0.897 20 0 DBADRM C[C@@H](NC(=O)N[C@@H]1COC[C@H]1O)c1ccc(-c2nn[nH]n2)cc1 ZINC001575297750 1019517898 /nfs/dbraw/zinc/51/78/98/1019517898.db2.gz JJYGOFAWEYCHKI-GGZOMVNGSA-N -1 0 318.337 -0.013 20 0 DBADRM O=C(OCc1n[nH]c(=O)[n-]1)c1cc(O)cc(-c2nn[nH]n2)c1 ZINC001609578549 1019521690 /nfs/dbraw/zinc/52/16/90/1019521690.db2.gz OKFHDDPMVLURNT-UHFFFAOYSA-N -1 0 303.238 -0.247 20 0 DBADRM CC(=O)N1CC(C(=O)OCc2noc(CCCC(=O)[O-])n2)C1 ZINC001609583953 1019522497 /nfs/dbraw/zinc/52/24/97/1019522497.db2.gz JMDPEJWZXVGURE-UHFFFAOYSA-N -1 0 311.294 -0.002 20 0 DBADRM O=c1[n-]c(S(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC001609592795 1019524017 /nfs/dbraw/zinc/52/40/17/1019524017.db2.gz HHEVCHUOHYUHPY-UHFFFAOYSA-N -1 0 307.295 -0.336 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1C(=O)c1cc[nH]c1 ZINC001505819356 1019532082 /nfs/dbraw/zinc/53/20/82/1019532082.db2.gz PQVFNCAUHCFJLQ-SECBINFHSA-N -1 0 320.309 -0.952 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)Cc1ccc(F)cn1)C(=O)[O-] ZINC001609622198 1019533063 /nfs/dbraw/zinc/53/30/63/1019533063.db2.gz HBOFCMCUQGWMBF-JTQLQIEISA-N -1 0 304.299 -0.275 20 0 DBADRM CC(=O)N[C@@H](C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C ZINC001609612043 1019535980 /nfs/dbraw/zinc/53/59/80/1019535980.db2.gz SHEWTHGGXCGQKH-NWDGAFQWSA-N -1 0 316.354 -0.084 20 0 DBADRM CC(=O)N[C@@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])C1CCCC1 ZINC001609611780 1019536044 /nfs/dbraw/zinc/53/60/44/1019536044.db2.gz IOWVDZFHSTXJEF-QPUJVOFHSA-N -1 0 314.338 -0.186 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001609635275 1019537492 /nfs/dbraw/zinc/53/74/92/1019537492.db2.gz ULWZQWSKUZEHCP-NXEZZACHSA-N -1 0 306.384 -0.525 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@H](NC(=O)N(C)C)C1 ZINC001609634292 1019538804 /nfs/dbraw/zinc/53/88/04/1019538804.db2.gz BVCGVGMYUNSWFQ-UWVGGRQHSA-N -1 0 300.359 -0.689 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC(=O)N(C)[C@@H](C)C1 ZINC001609632550 1019539170 /nfs/dbraw/zinc/53/91/70/1019539170.db2.gz VDZBWRPSAVPZIH-QWRGUYRKSA-N -1 0 311.382 -0.139 20 0 DBADRM C[C@H](C(=O)N[C@H](CO)C(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC001609634792 1019539260 /nfs/dbraw/zinc/53/92/60/1019539260.db2.gz NLZDZXLCUCLLOM-GMSGAONNSA-N -1 0 319.310 -0.450 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001609634293 1019540185 /nfs/dbraw/zinc/54/01/85/1019540185.db2.gz BVCGVGMYUNSWFQ-VHSXEESVSA-N -1 0 300.359 -0.689 20 0 DBADRM CC(C)(C(=O)N[C@H](CO)C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC001609647717 1019541551 /nfs/dbraw/zinc/54/15/51/1019541551.db2.gz MHKYSYFCZWYAMI-SNVBAGLBSA-N -1 0 320.301 -0.377 20 0 DBADRM CC(C)(C(=O)N[C@@H](CO)C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC001609647716 1019542329 /nfs/dbraw/zinc/54/23/29/1019542329.db2.gz MHKYSYFCZWYAMI-JTQLQIEISA-N -1 0 320.301 -0.377 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@H](C)C(=O)[O-])CC1 ZINC001609663151 1019544046 /nfs/dbraw/zinc/54/40/46/1019544046.db2.gz WPKVWHJTDCFGNB-IUCAKERBSA-N -1 0 300.311 -0.671 20 0 DBADRM CC(=O)NCCN(C(=O)CO[C@H]1CCOC1)[C@@H](C)C(=O)[O-] ZINC001609673523 1019544319 /nfs/dbraw/zinc/54/43/19/1019544319.db2.gz BKQGEACMHWLPNO-ONGXEEELSA-N -1 0 302.327 -0.770 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](C)C(=O)[O-])CC1 ZINC001609663150 1019544864 /nfs/dbraw/zinc/54/48/64/1019544864.db2.gz WPKVWHJTDCFGNB-DTWKUNHWSA-N -1 0 300.311 -0.671 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)c2ccoc2CC(=O)[O-])CC1 ZINC001609652907 1019545409 /nfs/dbraw/zinc/54/54/09/1019545409.db2.gz GERSVZITNXRMDU-UHFFFAOYSA-N -1 0 323.349 -0.072 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001609658407 1019545523 /nfs/dbraw/zinc/54/55/23/1019545523.db2.gz WEQPHISZNIAYOV-SECBINFHSA-N -1 0 322.383 -0.594 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001609690509 1019546612 /nfs/dbraw/zinc/54/66/12/1019546612.db2.gz GDMWKWNZYSJHKK-ZWNOBZJWSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001609690505 1019548095 /nfs/dbraw/zinc/54/80/95/1019548095.db2.gz GDMWKWNZYSJHKK-GXFFZTMASA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@@H](C)O[C@H](CO)C1)C(=O)[O-] ZINC001609693616 1019549009 /nfs/dbraw/zinc/54/90/09/1019549009.db2.gz WLZGUNAIKINCMC-WOPDTQHZSA-N -1 0 302.371 -0.317 20 0 DBADRM CC(C)C[C@H](CO)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001609693423 1019548581 /nfs/dbraw/zinc/54/85/81/1019548581.db2.gz OHLQGMRJKNSUAG-SNVBAGLBSA-N -1 0 319.383 -0.005 20 0 DBADRM CC(C)[C@H](OC(=O)COCC(=O)[O-])C(=O)N1CCOCC1 ZINC001609687775 1019548697 /nfs/dbraw/zinc/54/86/97/1019548697.db2.gz UVFTXGDDBSLSAT-LBPRGKRZSA-N -1 0 303.311 -0.486 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCOC[C@@H]1CC(N)=O)C(=O)[O-] ZINC001609693821 1019548769 /nfs/dbraw/zinc/54/87/69/1019548769.db2.gz FJKWJLXLTUOLFN-QWRGUYRKSA-N -1 0 315.370 -0.822 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001609700580 1019550256 /nfs/dbraw/zinc/55/02/56/1019550256.db2.gz FEMGQPBVLMOGCH-MWLCHTKSSA-N -1 0 307.368 -0.506 20 0 DBADRM CC(C)NC(=O)c1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001609707850 1019550360 /nfs/dbraw/zinc/55/03/60/1019550360.db2.gz XKEXJFBQHPOACQ-UHFFFAOYSA-N -1 0 321.333 -0.245 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)NCCn2cc(C(=O)[O-])nn2)CC1=O ZINC001609706154 1019550896 /nfs/dbraw/zinc/55/08/96/1019550896.db2.gz WUGNQJVSEYDOKY-VIFPVBQESA-N -1 0 324.341 -0.715 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC001609710437 1019551281 /nfs/dbraw/zinc/55/12/81/1019551281.db2.gz UPOXXNJSAOQERK-VHSXEESVSA-N -1 0 324.399 -0.397 20 0 DBADRM CC(C)OCC(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001609709312 1019552559 /nfs/dbraw/zinc/55/25/59/1019552559.db2.gz HOSHTEDIWOTABT-UHFFFAOYSA-N -1 0 307.368 -0.050 20 0 DBADRM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N[C@H](CO)C(=O)[O-] ZINC001609717611 1019553431 /nfs/dbraw/zinc/55/34/31/1019553431.db2.gz XZRISNNOCORPHK-BDAKNGLRSA-N -1 0 303.359 -0.330 20 0 DBADRM CC(C)n1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001609724324 1019554052 /nfs/dbraw/zinc/55/40/52/1019554052.db2.gz IPONPGLJCLVKIV-VHSXEESVSA-N -1 0 324.337 -0.304 20 0 DBADRM CC(C)[C@@H](O)C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001609715967 1019554490 /nfs/dbraw/zinc/55/44/90/1019554490.db2.gz MEFHLGYKJMZEOM-SNVBAGLBSA-N -1 0 307.368 -0.458 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)CN1CC(=O)NC1=O)c1ccncc1 ZINC001609728887 1019555074 /nfs/dbraw/zinc/55/50/74/1019555074.db2.gz QWVURMQNXBDACF-AWEZNQCLSA-N -1 0 320.305 -0.561 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCS(=O)(=O)C[C@H]1C)C(=O)[O-] ZINC001609716391 1019556226 /nfs/dbraw/zinc/55/62/26/1019556226.db2.gz HCCIXHJVJMURKO-KOLCDFICSA-N -1 0 306.384 -0.669 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC001609787886 1019565002 /nfs/dbraw/zinc/56/50/02/1019565002.db2.gz FMXOUIADFHFXSG-VIFPVBQESA-N -1 0 304.368 -0.754 20 0 DBADRM C[C@@H](CS(=O)(=O)Oc1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC001609747392 1019557747 /nfs/dbraw/zinc/55/77/47/1019557747.db2.gz BHRARYIIDTWNQE-QMMMGPOBSA-N -1 0 317.319 -0.020 20 0 DBADRM C[C@H](Cc1cnn(C)c1)NC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001609750234 1019557832 /nfs/dbraw/zinc/55/78/32/1019557832.db2.gz OGHIBKUFQMHNGD-ADEWGFFLSA-N -1 0 310.354 -0.172 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C)C(=O)[O-] ZINC001609747607 1019558298 /nfs/dbraw/zinc/55/82/98/1019558298.db2.gz MOHINEYMSJVRKN-UTUOFQBUSA-N -1 0 320.411 -0.168 20 0 DBADRM C[C@H](CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)Cn1cccn1 ZINC001609745638 1019558316 /nfs/dbraw/zinc/55/83/16/1019558316.db2.gz YQBGIVJOSSWWJU-UTUOFQBUSA-N -1 0 310.354 -0.004 20 0 DBADRM C[C@@H](CS(=O)(=O)NC(C)(C)CS(C)(=O)=O)C(=O)[O-] ZINC001609751288 1019558399 /nfs/dbraw/zinc/55/83/99/1019558399.db2.gz WWPSSDFLUPRGBN-ZETCQYMHSA-N -1 0 301.386 -0.550 20 0 DBADRM C[C@@H](CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C(=O)[O-] ZINC001609744738 1019558714 /nfs/dbraw/zinc/55/87/14/1019558714.db2.gz RGPQBDBYAYNLGS-LURJTMIESA-N -1 0 323.309 -0.868 20 0 DBADRM C[C@@H](CS(=O)(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)C(=O)[O-] ZINC001609749704 1019558850 /nfs/dbraw/zinc/55/88/50/1019558850.db2.gz JHXODUNNENPSHW-GARJFASQSA-N -1 0 308.400 -0.576 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001609748166 1019558903 /nfs/dbraw/zinc/55/89/03/1019558903.db2.gz MVHPAYLPQVIVMM-DCRTWILOSA-N -1 0 318.395 -0.371 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001609748172 1019559046 /nfs/dbraw/zinc/55/90/46/1019559046.db2.gz MVHPAYLPQVIVMM-FFLCAHPHSA-N -1 0 318.395 -0.371 20 0 DBADRM CC(CO)(CO)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001609746358 1019559613 /nfs/dbraw/zinc/55/96/13/1019559613.db2.gz HQVVTGINBDOUCK-UHFFFAOYSA-N -1 0 310.306 -0.888 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCc2n[nH]c(=O)cc2C1)C(=O)[O-] ZINC001609751416 1019559715 /nfs/dbraw/zinc/55/97/15/1019559715.db2.gz YECZYJSVLSFZOY-SSDOTTSWSA-N -1 0 301.324 -0.409 20 0 DBADRM C[C@@H](NCc1cn(CC(=O)[O-])nn1)C(=O)NCC(F)(F)F ZINC001609782702 1019560811 /nfs/dbraw/zinc/56/08/11/1019560811.db2.gz ZEOUTLRHZMBBLX-ZCFIWIBFSA-N -1 0 309.248 -0.481 20 0 DBADRM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001609755467 1019561372 /nfs/dbraw/zinc/56/13/72/1019561372.db2.gz WQPULXONGVTWMN-UJNFCWOMSA-N -1 0 302.327 -0.510 20 0 DBADRM CC(C)(CCNC(=O)[C@H]1CC(C(=O)[O-])=NO1)S(C)(=O)=O ZINC001609782750 1019561969 /nfs/dbraw/zinc/56/19/69/1019561969.db2.gz IZBVQRVJTWLZLX-MRVPVSSYSA-N -1 0 306.340 -0.455 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccc[nH]1 ZINC001609756293 1019562296 /nfs/dbraw/zinc/56/22/96/1019562296.db2.gz CINOGBCUFVKXFB-ZJUUUORDSA-N -1 0 309.322 -0.106 20 0 DBADRM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001609755459 1019562477 /nfs/dbraw/zinc/56/24/77/1019562477.db2.gz WQPULXONGVTWMN-SZEHBUNVSA-N -1 0 302.327 -0.510 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001609758012 1019562563 /nfs/dbraw/zinc/56/25/63/1019562563.db2.gz CNCRRADFYNNOHB-MRVPVSSYSA-N -1 0 306.340 -0.455 20 0 DBADRM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575412612 1019562916 /nfs/dbraw/zinc/56/29/16/1019562916.db2.gz JWEDYPRTLRNYPP-VGMNWLOBSA-N -1 0 321.337 -0.435 20 0 DBADRM C[C@](NCC(=O)N1CCNC(=O)C1)(C(=O)[O-])c1ccc(F)cc1 ZINC001609779352 1019562957 /nfs/dbraw/zinc/56/29/57/1019562957.db2.gz PPUNXWNPIVTEHF-OAHLLOKOSA-N -1 0 323.324 -0.327 20 0 DBADRM C[C@H](O)[C@H]1CCCN(C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC001609790226 1019564247 /nfs/dbraw/zinc/56/42/47/1019564247.db2.gz ZGXUUGJLIJBIDD-QWRGUYRKSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@H](O)CC(C)(C)CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001609787863 1019564346 /nfs/dbraw/zinc/56/43/46/1019564346.db2.gz LNROGACMUIVIAD-NXEZZACHSA-N -1 0 316.354 -0.788 20 0 DBADRM CC(C)C(=O)N1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001609789313 1019564903 /nfs/dbraw/zinc/56/49/03/1019564903.db2.gz IBCOJBSEAQUYMD-UHFFFAOYSA-N -1 0 306.384 -0.714 20 0 DBADRM C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)O)c1ncc(C(=O)[O-])s1 ZINC001609788322 1019565993 /nfs/dbraw/zinc/56/59/93/1019565993.db2.gz WUASXEBWYSLSQP-NKWVEPMBSA-N -1 0 315.351 -0.142 20 0 DBADRM C[C@H](OC(=O)CS(C)(=O)=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001609798829 1019566871 /nfs/dbraw/zinc/56/68/71/1019566871.db2.gz KNFSVKYECKOQPR-QMMMGPOBSA-N -1 0 321.351 -0.714 20 0 DBADRM C[C@H](OC(=O)c1ccc(S(N)(=O)=O)s1)C(=O)C(=O)[O-] ZINC001609797951 1019567345 /nfs/dbraw/zinc/56/73/45/1019567345.db2.gz PQIKNHMZEOOBKV-BYPYZUCNSA-N -1 0 307.305 -0.406 20 0 DBADRM O=C([N-]N1CC(=O)NC1=O)c1cn(CCc2ccccc2)nn1 ZINC001609793336 1019567662 /nfs/dbraw/zinc/56/76/62/1019567662.db2.gz TUKZSNBKMWPQTA-UHFFFAOYSA-N -1 0 314.305 -0.283 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CCc2cnn(C)c2C1)C(=O)NCC(=O)[O-] ZINC001609791965 1019568087 /nfs/dbraw/zinc/56/80/87/1019568087.db2.gz DMIFCRTWOWCUPO-DTWKUNHWSA-N -1 0 309.322 -0.343 20 0 DBADRM Cc1ccccc1-n1cc(C(=O)[N-]N2CC(=O)NC2=O)nn1 ZINC001609794092 1019568369 /nfs/dbraw/zinc/56/83/69/1019568369.db2.gz ZZSPYDRABNFOBU-UHFFFAOYSA-N -1 0 300.278 -0.228 20 0 DBADRM C[C@]1(C(N)=O)CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001609812473 1019569972 /nfs/dbraw/zinc/56/99/72/1019569972.db2.gz FMOSKNCRXKIIMH-NSHDSACASA-N -1 0 304.368 -0.232 20 0 DBADRM CC(C)Cn1nnnc1SCCS(=O)(=O)CC(=O)[O-] ZINC001609813466 1019571494 /nfs/dbraw/zinc/57/14/94/1019571494.db2.gz HWCHUTKLTHJJAA-UHFFFAOYSA-N -1 0 308.385 -0.079 20 0 DBADRM CC1(C(N)=O)CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC001609812951 1019571628 /nfs/dbraw/zinc/57/16/28/1019571628.db2.gz RIQPFFIYJUTIMO-UHFFFAOYSA-N -1 0 319.317 -0.414 20 0 DBADRM CC(C)N(CCS(=O)(=O)CC(=O)[O-])C[C@@H]1CCC(=O)N1 ZINC001609817193 1019572033 /nfs/dbraw/zinc/57/20/33/1019572033.db2.gz XDDHGGHWLVZHPV-JTQLQIEISA-N -1 0 306.384 -0.525 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001609830991 1019573222 /nfs/dbraw/zinc/57/32/22/1019573222.db2.gz QVQKNIYACGUTIC-SSDOTTSWSA-N -1 0 323.280 -0.191 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001609830915 1019573471 /nfs/dbraw/zinc/57/34/71/1019573471.db2.gz QEOAIFUMDZUMDR-AMIZOPFISA-N -1 0 312.326 -0.761 20 0 DBADRM C[C@H]1C(=O)N(C)CN1CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001609830918 1019573904 /nfs/dbraw/zinc/57/39/04/1019573904.db2.gz QEOAIFUMDZUMDR-SDBXPKJASA-N -1 0 312.326 -0.761 20 0 DBADRM CC1(Cn2cc(C(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)nn2)COC1 ZINC001609821251 1019574246 /nfs/dbraw/zinc/57/42/46/1019574246.db2.gz DDSZXCGCEMXDRM-NXEZZACHSA-N -1 0 324.337 -0.778 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)NCC2(C(=O)[O-])CC2)C1=O ZINC001609821836 1019574806 /nfs/dbraw/zinc/57/48/06/1019574806.db2.gz NKNZSZJRZCTQPG-CYBMUJFWSA-N -1 0 309.322 -0.312 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC001609832461 1019575854 /nfs/dbraw/zinc/57/58/54/1019575854.db2.gz HZYBXFAQCRMOMG-IEBDPFPHSA-N -1 0 320.349 -0.295 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001609856875 1019579214 /nfs/dbraw/zinc/57/92/14/1019579214.db2.gz WPFNCCDZPOPLNC-QMMMGPOBSA-N -1 0 315.355 -0.438 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C[C@H]1F ZINC001609855033 1019579250 /nfs/dbraw/zinc/57/92/50/1019579250.db2.gz KLBOMOYGYNIIGV-GWOFURMSSA-N -1 0 316.329 -0.513 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])CC(=O)N1 ZINC001609863871 1019580102 /nfs/dbraw/zinc/58/01/02/1019580102.db2.gz WHFRGTFMFXIFSM-SSDOTTSWSA-N -1 0 323.280 -0.191 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCC([C@H](O)C(=O)[O-])CC2)CCO1 ZINC001609863830 1019580417 /nfs/dbraw/zinc/58/04/17/1019580417.db2.gz GHXPWZRHQQDWER-GWCFXTLKSA-N -1 0 300.355 -0.609 20 0 DBADRM CC(C)c1ncc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC001609863323 1019580662 /nfs/dbraw/zinc/58/06/62/1019580662.db2.gz WSGFGMSZWQQYCJ-SNVBAGLBSA-N -1 0 322.321 -0.150 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)CC(=O)NC(C)C)c1[O-] ZINC001505900054 1019581268 /nfs/dbraw/zinc/58/12/68/1019581268.db2.gz XLIJIEUYGPXAAL-VIFPVBQESA-N -1 0 311.386 -0.002 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC001609873217 1019581766 /nfs/dbraw/zinc/58/17/66/1019581766.db2.gz HHSWLVKQWFEIDU-RYUDHWBXSA-N -1 0 320.411 -0.024 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC001609865063 1019582007 /nfs/dbraw/zinc/58/20/07/1019582007.db2.gz MMLXVJNIDWZDSA-NXEZZACHSA-N -1 0 324.337 -0.163 20 0 DBADRM C[C@H]1CN(CC(=O)NC2(C(=O)[O-])CCCCC2)C[C@H](CO)O1 ZINC001609871412 1019582913 /nfs/dbraw/zinc/58/29/13/1019582913.db2.gz VNGUJOGLIJSLCD-NWDGAFQWSA-N -1 0 314.382 -0.028 20 0 DBADRM CC(C)[C@@H](C)C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001505901858 1019583191 /nfs/dbraw/zinc/58/31/91/1019583191.db2.gz QYDJRIOMXLWMTD-RKDXNWHRSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC001609865071 1019583439 /nfs/dbraw/zinc/58/34/39/1019583439.db2.gz MMLXVJNIDWZDSA-UWVGGRQHSA-N -1 0 324.337 -0.163 20 0 DBADRM C[C@H]1CN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)CC(=O)N1 ZINC001609868179 1019584178 /nfs/dbraw/zinc/58/41/78/1019584178.db2.gz DZQLKMBOHSGPAK-JQWIXIFHSA-N -1 0 308.334 -0.055 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCS(=O)(=O)C[C@@H](C)C1)C(=O)[O-] ZINC001609867343 1019584324 /nfs/dbraw/zinc/58/43/24/1019584324.db2.gz AEGPQJXSOUYALO-JQWIXIFHSA-N -1 0 320.411 -0.422 20 0 DBADRM C[C@@H]1CN(CCO)[C@@H](C)CN1S(=O)(=O)CCCC(=O)[O-] ZINC001609875102 1019585227 /nfs/dbraw/zinc/58/52/27/1019585227.db2.gz RYPCKUUNYOZRPQ-WDEREUQCSA-N -1 0 308.400 -0.432 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)N[C@@H](CC(=O)OC)C(=O)[O-])C1 ZINC001609882938 1019586485 /nfs/dbraw/zinc/58/64/85/1019586485.db2.gz KVLLVNYLPIXHPC-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)N(C)C1CC1 ZINC001609875258 1019587140 /nfs/dbraw/zinc/58/71/40/1019587140.db2.gz UMRXDYQPIACZHE-JTQLQIEISA-N -1 0 305.400 -0.194 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001609882325 1019587445 /nfs/dbraw/zinc/58/74/45/1019587445.db2.gz GONLOTPUKNCQSV-SDDRHHMPSA-N -1 0 312.366 -0.071 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC001609888303 1019588565 /nfs/dbraw/zinc/58/85/65/1019588565.db2.gz ZTKQAHYUYZHBMN-VIFPVBQESA-N -1 0 323.353 -0.162 20 0 DBADRM C[C@H](O)C(C)(C)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001575475905 1019588983 /nfs/dbraw/zinc/58/89/83/1019588983.db2.gz ZWXFPBUFYIURCE-QMMMGPOBSA-N -1 0 323.361 -0.836 20 0 DBADRM CCC(CC)NC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001609917645 1019589178 /nfs/dbraw/zinc/58/91/78/1019589178.db2.gz RXXNSISQSUSXJX-NSHDSACASA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC(C(=O)[O-])CC1)c1ncnn1C ZINC001609913857 1019589570 /nfs/dbraw/zinc/58/95/70/1019589570.db2.gz BNHIVBJFCAVTEP-QMMMGPOBSA-N -1 0 309.326 -0.685 20 0 DBADRM CC[C@@H](C)[C@H](O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001609898250 1019590191 /nfs/dbraw/zinc/59/01/91/1019590191.db2.gz AQAKDAWNFOVBKF-PSASIEDQSA-N -1 0 305.356 -0.347 20 0 DBADRM CC[C@H]1CN(CC(=O)NCCC(=O)[O-])C[C@]2(CCOC2)O1 ZINC001609947419 1019591973 /nfs/dbraw/zinc/59/19/73/1019591973.db2.gz NMKWKUAIUKJMPB-FZMZJTMJSA-N -1 0 300.355 -0.153 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@@H](C)[S@]1=O ZINC001609948089 1019592068 /nfs/dbraw/zinc/59/20/68/1019592068.db2.gz UMJPLVLJVYLGQS-VRNWYBPDSA-N -1 0 314.367 -0.266 20 0 DBADRM C[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(=O)NCC(F)(F)F ZINC001609921574 1019592458 /nfs/dbraw/zinc/59/24/58/1019592458.db2.gz QTVSBRRHEPBQPF-YFKPBYRVSA-N -1 0 320.227 -0.028 20 0 DBADRM CCCC(=O)N1CCC[C@H]1C(=O)OCC(=O)NCCC(=O)[O-] ZINC001609950125 1019593065 /nfs/dbraw/zinc/59/30/65/1019593065.db2.gz BAQSECZIVIPLKM-JTQLQIEISA-N -1 0 314.338 -0.088 20 0 DBADRM CC[C@H]1CN(CCC(=O)NCC(=O)[O-])C[C@H](C)S1(=O)=O ZINC001609949570 1019593207 /nfs/dbraw/zinc/59/32/07/1019593207.db2.gz WYPBOQFRPLXRPU-UWVGGRQHSA-N -1 0 306.384 -0.525 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1=O ZINC001609941804 1019593229 /nfs/dbraw/zinc/59/32/29/1019593229.db2.gz QJWGSVDYVACWEE-JZYVYDRUSA-N -1 0 323.349 -0.114 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001575479367 1019593563 /nfs/dbraw/zinc/59/35/63/1019593563.db2.gz AZAWJDJKTSERCL-BDAKNGLRSA-N -1 0 321.341 -0.143 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)COC2)C(=O)[O-] ZINC001609943326 1019593832 /nfs/dbraw/zinc/59/38/32/1019593832.db2.gz UDJPMTTUXKXHCU-CQSZACIVSA-N -1 0 308.290 -0.393 20 0 DBADRM CCCCNC(=O)NC(=O)CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001609971201 1019594949 /nfs/dbraw/zinc/59/49/49/1019594949.db2.gz SMAPYFPUCBSWMW-NXEZZACHSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-] ZINC001609973499 1019595064 /nfs/dbraw/zinc/59/50/64/1019595064.db2.gz XELPLOUUEZFLAK-LLVKDONJSA-N -1 0 303.292 -0.471 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1 ZINC001609973613 1019595283 /nfs/dbraw/zinc/59/52/83/1019595283.db2.gz ZXPAWAKLPTWVFD-QJPTWQEYSA-N -1 0 312.366 -0.071 20 0 DBADRM CC[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001609953026 1019595393 /nfs/dbraw/zinc/59/53/93/1019595393.db2.gz XCNQMDCDPZXINJ-ZYHUDNBSSA-N -1 0 312.366 -0.071 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001609964707 1019595528 /nfs/dbraw/zinc/59/55/28/1019595528.db2.gz PWQMFCWQMQCTNM-VIFPVBQESA-N -1 0 324.341 -0.413 20 0 DBADRM CCCNC(=O)CCC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001609978330 1019596144 /nfs/dbraw/zinc/59/61/44/1019596144.db2.gz PVUZQJXXIOZEQA-CYBMUJFWSA-N -1 0 300.355 -0.023 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@H](C(=O)[O-])c1ccn(C)n1 ZINC001609962942 1019596849 /nfs/dbraw/zinc/59/68/49/1019596849.db2.gz BKFFLCSILOKLDV-UWVGGRQHSA-N -1 0 311.342 -0.111 20 0 DBADRM CCN([C@@H]1CCNC1=O)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001609996270 1019598326 /nfs/dbraw/zinc/59/83/26/1019598326.db2.gz RMHXJUYFHPQKBZ-SSDOTTSWSA-N -1 0 302.308 -0.123 20 0 DBADRM CCN(CCSC)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001610001865 1019599403 /nfs/dbraw/zinc/59/94/03/1019599403.db2.gz YTYCOYXLLWOAFV-VIFPVBQESA-N -1 0 304.368 -0.490 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001610006809 1019601829 /nfs/dbraw/zinc/60/18/29/1019601829.db2.gz GDIQDOCXICATSO-UHFFFAOYSA-N -1 0 321.337 -0.931 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])[C@@H]1CCCOC1 ZINC001610011681 1019601854 /nfs/dbraw/zinc/60/18/54/1019601854.db2.gz AYUCDBCBLNHUFK-JFGNBEQYSA-N -1 0 316.354 -0.347 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCC2(C(=O)[O-])CC2)C1 ZINC001610011282 1019602568 /nfs/dbraw/zinc/60/25/68/1019602568.db2.gz NSRBBFJVJOILHB-SECBINFHSA-N -1 0 319.383 -0.426 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])CC1=O ZINC001610007002 1019603833 /nfs/dbraw/zinc/60/38/33/1019603833.db2.gz JDRQRJMXCZVDHV-SNVBAGLBSA-N -1 0 311.338 -0.857 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)NC2CC(NS(C)(=O)=O)C2)C1 ZINC001610018279 1019605128 /nfs/dbraw/zinc/60/51/28/1019605128.db2.gz GMFMFWSPOFOQSF-KWPJZBAWSA-N -1 0 319.383 -0.427 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001610032099 1019605426 /nfs/dbraw/zinc/60/54/26/1019605426.db2.gz YILFHMMFDAJMMW-VHSXEESVSA-N -1 0 307.368 -0.241 20 0 DBADRM CCOC(=O)C1(C(=O)N[C@H](COC)C(=O)[O-])CCOCC1 ZINC001610015077 1019606295 /nfs/dbraw/zinc/60/62/95/1019606295.db2.gz OOIUXASBDPSIIS-SECBINFHSA-N -1 0 303.311 -0.438 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)CC(=O)N1CCC(C(N)=O)CC1 ZINC001610032604 1019606444 /nfs/dbraw/zinc/60/64/44/1019606444.db2.gz AMXQWXABGFLSER-NSHDSACASA-N -1 0 315.370 -0.868 20 0 DBADRM CCOC(=O)NCCCC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001610019268 1019606702 /nfs/dbraw/zinc/60/67/02/1019606702.db2.gz OAGYPENZFAASJI-ONGXEEELSA-N -1 0 302.327 -0.051 20 0 DBADRM C[C@H](CNC(=O)C[C@@H]1CCC(=O)NC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001505934162 1019606925 /nfs/dbraw/zinc/60/69/25/1019606925.db2.gz XZTOURKKRPCQLC-ZJUUUORDSA-N -1 0 324.385 -0.637 20 0 DBADRM CCc1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])nn1C ZINC001610057911 1019609008 /nfs/dbraw/zinc/60/90/08/1019609008.db2.gz GKCVAPSYCUQMGR-UHFFFAOYSA-N -1 0 324.381 -0.159 20 0 DBADRM C[C@@H]1CCCN(C(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1 ZINC001610081939 1019610316 /nfs/dbraw/zinc/61/03/16/1019610316.db2.gz ZWYWWDGJAXXTAU-MNOVXSKESA-N -1 0 318.395 -0.572 20 0 DBADRM CCn1nccc1NC(=O)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001610086479 1019610641 /nfs/dbraw/zinc/61/06/41/1019610641.db2.gz QKWFNTBMWXNXIQ-WCBMZHEXSA-N -1 0 310.310 -0.722 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])no1 ZINC001610059361 1019611096 /nfs/dbraw/zinc/61/10/96/1019611096.db2.gz TYWLMFIIWSRYPY-WPRPVWTQSA-N -1 0 311.294 -0.388 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001610068821 1019611228 /nfs/dbraw/zinc/61/12/28/1019611228.db2.gz ZJYBPGYTLUWKTJ-CXEAHSETSA-N -1 0 316.379 -0.713 20 0 DBADRM CCn1nccc1NC(=O)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001610086476 1019612133 /nfs/dbraw/zinc/61/21/33/1019612133.db2.gz QKWFNTBMWXNXIQ-PSASIEDQSA-N -1 0 310.310 -0.722 20 0 DBADRM CN(C(=O)[C@H]1CCN(C)S1(=O)=O)c1ncc(C(=O)[O-])s1 ZINC001610089711 1019613988 /nfs/dbraw/zinc/61/39/88/1019613988.db2.gz XGTIDOUJWDUQCP-SSDOTTSWSA-N -1 0 319.364 -0.162 20 0 DBADRM CCn1ncc(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001610086516 1019615036 /nfs/dbraw/zinc/61/50/36/1019615036.db2.gz MWJUCPUDCZHEMI-UHFFFAOYSA-N -1 0 310.310 -0.222 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001610093657 1019615163 /nfs/dbraw/zinc/61/51/63/1019615163.db2.gz MQEQLXYWNFDPJI-UHFFFAOYSA-N -1 0 323.305 -0.707 20 0 DBADRM CCn1ncnc1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001610086928 1019615258 /nfs/dbraw/zinc/61/52/58/1019615258.db2.gz UEPNOMFOJQIEML-UHFFFAOYSA-N -1 0 317.371 -0.571 20 0 DBADRM CN(C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)C(C1CC1)C1CC1 ZINC001610088359 1019615285 /nfs/dbraw/zinc/61/52/85/1019615285.db2.gz VROIVSAQOMDGBT-VXGBXAGGSA-N -1 0 324.377 -0.073 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001610107379 1019616856 /nfs/dbraw/zinc/61/68/56/1019616856.db2.gz GFKOEDSTEXPKJQ-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001610101948 1019616949 /nfs/dbraw/zinc/61/69/49/1019616949.db2.gz GFNGYBJQJMJPFS-LLVKDONJSA-N -1 0 314.363 -0.138 20 0 DBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)c1cc(C(=O)[O-])co1 ZINC001610103250 1019618655 /nfs/dbraw/zinc/61/86/55/1019618655.db2.gz SUPDSUIMRBZJSU-UHFFFAOYSA-N -1 0 320.323 -0.127 20 0 DBADRM CN(CC(=O)N[C@]1(CC(=O)[O-])CCCOC1)S(C)(=O)=O ZINC001610108973 1019618743 /nfs/dbraw/zinc/61/87/43/1019618743.db2.gz LGVYRPRGNWJWAM-NSHDSACASA-N -1 0 308.356 -0.982 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1cc(C(N)=O)co1 ZINC001610115387 1019619612 /nfs/dbraw/zinc/61/96/12/1019619612.db2.gz ULDIGPQKTBXYBW-UHFFFAOYSA-N -1 0 305.312 -0.881 20 0 DBADRM CN(C[C@@H]1CCC[C@@H]1O)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001610113942 1019620213 /nfs/dbraw/zinc/62/02/13/1019620213.db2.gz SDMFOCXZDJQXBV-ONGXEEELSA-N -1 0 317.367 -0.251 20 0 DBADRM C[C@H]1CCCC[C@H]1C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575525344 1019620892 /nfs/dbraw/zinc/62/08/92/1019620892.db2.gz LRZGYVAKYRQYEA-DTWKUNHWSA-N -1 0 323.353 -0.045 20 0 DBADRM CN(C[C@@H]1CCC[C@H]1O)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001610113939 1019621392 /nfs/dbraw/zinc/62/13/92/1019621392.db2.gz SDMFOCXZDJQXBV-GXSJLCMTSA-N -1 0 317.367 -0.251 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC001610114458 1019621576 /nfs/dbraw/zinc/62/15/76/1019621576.db2.gz QFALVAWXVVMDGS-NXEZZACHSA-N -1 0 319.383 -0.619 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])[C@H]1c1cccnc1 ZINC001610127082 1019622725 /nfs/dbraw/zinc/62/27/25/1019622725.db2.gz DOGZIEWGLNEDFV-JFGNBEQYSA-N -1 0 307.306 -0.837 20 0 DBADRM CC[C@H](NC(=O)N[C@H](C)CC(=O)[O-])C(=O)N1CCOCC1 ZINC001610133262 1019623179 /nfs/dbraw/zinc/62/31/79/1019623179.db2.gz LHNZTAZCBKLNPA-ZJUUUORDSA-N -1 0 301.343 -0.214 20 0 DBADRM CC[C@H](C)CCC(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575525605 1019623175 /nfs/dbraw/zinc/62/31/75/1019623175.db2.gz LYVHPILZSDOTCQ-QMMMGPOBSA-N -1 0 311.342 -0.045 20 0 DBADRM CC[C@@H](NC(=O)N[C@@H](C)CC(=O)[O-])C(=O)N1CCOCC1 ZINC001610133261 1019623839 /nfs/dbraw/zinc/62/38/39/1019623839.db2.gz LHNZTAZCBKLNPA-VHSXEESVSA-N -1 0 301.343 -0.214 20 0 DBADRM Cn1cc(NC(=O)[C@@H]2CCN(C)S2(=O)=O)cc1C(=O)[O-] ZINC001610129286 1019624331 /nfs/dbraw/zinc/62/43/31/1019624331.db2.gz MQNBLTUDNNVZFO-VIFPVBQESA-N -1 0 301.324 -0.304 20 0 DBADRM CN1CCN(C(=O)C(=O)N2CCC(CC(=O)[O-])CC2)CC1=O ZINC001610134821 1019626231 /nfs/dbraw/zinc/62/62/31/1019626231.db2.gz RUMGBIYGACSBSD-UHFFFAOYSA-N -1 0 311.338 -1.000 20 0 DBADRM CN1CCO[C@@H](C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001610137894 1019626301 /nfs/dbraw/zinc/62/63/01/1019626301.db2.gz ZJWQMMLEPXXUQW-QWHCGFSZSA-N -1 0 307.350 -0.228 20 0 DBADRM CNC(=O)CC(=O)NC1(C(=O)[O-])CCC(C(=O)OC)CC1 ZINC001610138617 1019626338 /nfs/dbraw/zinc/62/63/38/1019626338.db2.gz DNZJBEAKUJWLFG-UHFFFAOYSA-N -1 0 300.311 -0.575 20 0 DBADRM CNC(=O)CCCC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610139261 1019626959 /nfs/dbraw/zinc/62/69/59/1019626959.db2.gz NKNJLAUOSKNLEN-VIFPVBQESA-N -1 0 309.326 -0.334 20 0 DBADRM CN1CCN(CC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])CC1=O ZINC001610135021 1019627192 /nfs/dbraw/zinc/62/71/92/1019627192.db2.gz NGXDZPIFCYNCAW-SSDOTTSWSA-N -1 0 311.260 -0.718 20 0 DBADRM CNC(=O)c1ccc(=O)n(CCc2cn(CC(=O)[O-])nn2)c1 ZINC001610141002 1019630297 /nfs/dbraw/zinc/63/02/97/1019630297.db2.gz GNMFJDXPJQYLCT-UHFFFAOYSA-N -1 0 305.294 -0.873 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)C(=O)[O-])o1 ZINC001610148708 1019633291 /nfs/dbraw/zinc/63/32/91/1019633291.db2.gz NOLLUMVSRNCTFM-RXMQYKEDSA-N -1 0 305.264 -0.613 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1c(C)cnn1C ZINC001610150562 1019633939 /nfs/dbraw/zinc/63/39/39/1019633939.db2.gz GPUWXRCKGSARRN-ZETCQYMHSA-N -1 0 305.312 -0.977 20 0 DBADRM Cc1noc(CCC(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001505974875 1019635426 /nfs/dbraw/zinc/63/54/26/1019635426.db2.gz YKHRNVGTHPYOJW-MRVPVSSYSA-N -1 0 323.357 -0.229 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccnn1CC(F)F ZINC001610154382 1019635658 /nfs/dbraw/zinc/63/56/58/1019635658.db2.gz VUQHJTKDWNHBKT-LURJTMIESA-N -1 0 305.237 -0.106 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001610152872 1019636063 /nfs/dbraw/zinc/63/60/63/1019636063.db2.gz LDRUFLJCZVIAEW-MWLCHTKSSA-N -1 0 309.322 -0.114 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccnc2c1nnn2C ZINC001610153619 1019636229 /nfs/dbraw/zinc/63/62/29/1019636229.db2.gz SSMYATJTZJQQEJ-SSDOTTSWSA-N -1 0 307.266 -0.891 20 0 DBADRM COC(=O)C1(NC(=O)CCn2ccnn2)CCC(C(=O)[O-])CC1 ZINC001610154967 1019636620 /nfs/dbraw/zinc/63/66/20/1019636620.db2.gz SCJSIUXIEGGKKT-UHFFFAOYSA-N -1 0 324.337 -0.029 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC001610152870 1019636772 /nfs/dbraw/zinc/63/67/72/1019636772.db2.gz LWCLXWMAHQNSFJ-SECBINFHSA-N -1 0 321.289 -0.126 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC001610154399 1019637166 /nfs/dbraw/zinc/63/71/66/1019637166.db2.gz YQSLIAVWJKEYRM-CIUDSAMLSA-N -1 0 300.311 -0.589 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CC2OCCO2)[C@H](C(=O)[O-])C1 ZINC001610174741 1019639324 /nfs/dbraw/zinc/63/93/24/1019639324.db2.gz ZKZASXFXGSRTDV-BDAKNGLRSA-N -1 0 301.295 -0.386 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)NCCCCC(=O)[O-])[C@@H]1C ZINC001610165020 1019639540 /nfs/dbraw/zinc/63/95/40/1019639540.db2.gz FKULVTHCNNRMMN-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc[n+]([O-])cc1 ZINC001610174569 1019639555 /nfs/dbraw/zinc/63/95/55/1019639555.db2.gz OQACZVWFMNJDEX-GHMZBOCLSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cc2ccnn2C)[C@@H](C(=O)[O-])C1 ZINC001610168737 1019640109 /nfs/dbraw/zinc/64/01/09/1019640109.db2.gz IFCCQMDLCIEVQY-GXSJLCMTSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H]1CCN(C)C1=O ZINC001610179137 1019641092 /nfs/dbraw/zinc/64/10/92/1019641092.db2.gz YUGVYVXDMNKBTJ-UTLUCORTSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)C(=O)[O-] ZINC001610179593 1019641345 /nfs/dbraw/zinc/64/13/45/1019641345.db2.gz GWOQWMIZOWSYPT-HLTSFMKQSA-N -1 0 300.311 -0.589 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCCC(N)=O ZINC001610178414 1019641514 /nfs/dbraw/zinc/64/15/14/1019641514.db2.gz XIYBFTDXEWDGCC-IUCAKERBSA-N -1 0 300.311 -0.493 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)[O-] ZINC001610179329 1019641727 /nfs/dbraw/zinc/64/17/27/1019641727.db2.gz UZMRSYFXANFBLD-DTWKUNHWSA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC001610181973 1019641824 /nfs/dbraw/zinc/64/18/24/1019641824.db2.gz JPQHQFMCPKPTDI-LLVKDONJSA-N -1 0 321.289 -0.339 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1)C(=O)[O-] ZINC001610179598 1019642051 /nfs/dbraw/zinc/64/20/51/1019642051.db2.gz GWOQWMIZOWSYPT-YIZRAAEISA-N -1 0 300.311 -0.589 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccnn1CC(F)F)C(=O)[O-] ZINC001610179263 1019642331 /nfs/dbraw/zinc/64/23/31/1019642331.db2.gz UNLMMYLBRRAFFT-LURJTMIESA-N -1 0 305.237 -0.106 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CC2OCCO2)[C@H](C(=O)[O-])C1 ZINC001610174745 1019642610 /nfs/dbraw/zinc/64/26/10/1019642610.db2.gz ZKZASXFXGSRTDV-IUCAKERBSA-N -1 0 301.295 -0.386 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1nccn2cc(C)nc12)C(=O)[O-] ZINC001610177378 1019642754 /nfs/dbraw/zinc/64/27/54/1019642754.db2.gz FOGCDZGCWHCPKG-MRVPVSSYSA-N -1 0 306.278 -0.216 20 0 DBADRM COC(=O)CCCNC(=S)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001610183816 1019644396 /nfs/dbraw/zinc/64/43/96/1019644396.db2.gz WHRVMKQPLLETHF-NSHDSACASA-N -1 0 318.395 -0.028 20 0 DBADRM COC(=O)CCCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001610183541 1019644408 /nfs/dbraw/zinc/64/44/08/1019644408.db2.gz SKAIJAJGUOVKAM-NSHDSACASA-N -1 0 302.327 -0.193 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cncc(C(=O)OC)c1 ZINC001610185405 1019644955 /nfs/dbraw/zinc/64/49/55/1019644955.db2.gz ZDXXDACKGGMCMK-UHFFFAOYSA-N -1 0 310.262 -0.432 20 0 DBADRM COC(=O)CCCNC(=S)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001610183813 1019645006 /nfs/dbraw/zinc/64/50/06/1019645006.db2.gz WHRVMKQPLLETHF-LLVKDONJSA-N -1 0 318.395 -0.028 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cn(C(C)C)cn1 ZINC001610184346 1019645324 /nfs/dbraw/zinc/64/53/24/1019645324.db2.gz ZWPVZYVXSWFXGP-UHFFFAOYSA-N -1 0 319.339 -0.288 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001610183290 1019645520 /nfs/dbraw/zinc/64/55/20/1019645520.db2.gz MNOQVSOWKFUDIY-UHFFFAOYSA-N -1 0 302.308 -0.037 20 0 DBADRM COC(=O)CCNC(=O)c1ccc(C(=O)NCCC(=O)[O-])nc1 ZINC001610183643 1019646032 /nfs/dbraw/zinc/64/60/32/1019646032.db2.gz WMNZJWWNZQCHDA-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001610190281 1019647056 /nfs/dbraw/zinc/64/70/56/1019647056.db2.gz LCEHIZUFKDGJBW-YIZRAAEISA-N -1 0 316.310 -0.404 20 0 DBADRM COC(=O)[C@H](CSCCn1cc(C(=O)[O-])nn1)NC(C)=O ZINC001610191082 1019647353 /nfs/dbraw/zinc/64/73/53/1019647353.db2.gz UMTQNEACQJDDPQ-VIFPVBQESA-N -1 0 316.339 -0.613 20 0 DBADRM COC(=O)C[C@@H](OC(=O)[C@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC001610188586 1019647478 /nfs/dbraw/zinc/64/74/78/1019647478.db2.gz WZPMRZKQDPNTMD-HTQZYQBOSA-N -1 0 308.308 -0.487 20 0 DBADRM COC(=O)NCC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001610188309 1019647859 /nfs/dbraw/zinc/64/78/59/1019647859.db2.gz RALUBVMOVDPAIJ-HTQZYQBOSA-N -1 0 302.283 -0.793 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001610191055 1019648208 /nfs/dbraw/zinc/64/82/08/1019648208.db2.gz SIKLJBHOYLBCOY-ZETCQYMHSA-N -1 0 321.282 -0.664 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)[C@@H]1CCCCS1(=O)=O ZINC001610191608 1019648476 /nfs/dbraw/zinc/64/84/76/1019648476.db2.gz VLJRSAGWKKGUQW-SFYZADRCSA-N -1 0 308.308 -0.487 20 0 DBADRM COC(=O)C[C@@H](OC(=O)[C@]12CCC(=O)N1CCS2)C(=O)[O-] ZINC001610187803 1019648845 /nfs/dbraw/zinc/64/88/45/1019648845.db2.gz RPADBKBGWRZHHX-JMCQJSRRSA-N -1 0 317.319 -0.389 20 0 DBADRM COC(=O)c1ccc(NC(=O)CN2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001610212592 1019649870 /nfs/dbraw/zinc/64/98/70/1019649870.db2.gz YNTKCKGDQMPUPC-VXGBXAGGSA-N -1 0 322.317 -0.069 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1C[C@@H]1CCS(=O)(=O)C1 ZINC001610196234 1019650009 /nfs/dbraw/zinc/65/00/09/1019650009.db2.gz FQQRMQDTFFAGOR-ZETCQYMHSA-N -1 0 302.308 -0.197 20 0 DBADRM COC(=O)c1cn(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])nn1 ZINC001610218820 1019650887 /nfs/dbraw/zinc/65/08/87/1019650887.db2.gz WVBHJHWFEROEHD-AUTRQRHGSA-N -1 0 322.321 -0.224 20 0 DBADRM COC(=O)c1cnc(C(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)cn1 ZINC001610218188 1019651122 /nfs/dbraw/zinc/65/11/22/1019651122.db2.gz PXSLNZJZJLKQEF-SNVBAGLBSA-N -1 0 319.277 -0.448 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CC(=O)NC[C@@H]2CCCO2)n1 ZINC001610194890 1019651684 /nfs/dbraw/zinc/65/16/84/1019651684.db2.gz DMJQDAGAFQDINT-QMMMGPOBSA-N -1 0 311.294 -0.337 20 0 DBADRM CO[C@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)[C@H](C(=O)[O-])C1 ZINC001610236060 1019653459 /nfs/dbraw/zinc/65/34/59/1019653459.db2.gz BMMKSVJEVZPCNL-ONGXEEELSA-N -1 0 307.306 -0.115 20 0 DBADRM CO[C@H]1CC(=O)N(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001610235752 1019654196 /nfs/dbraw/zinc/65/41/96/1019654196.db2.gz NGZYAHIMYZQZIY-QWRGUYRKSA-N -1 0 323.353 -0.182 20 0 DBADRM CO[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@@H](C(=O)[O-])C1 ZINC001610239401 1019654260 /nfs/dbraw/zinc/65/42/60/1019654260.db2.gz PRYLUFFFCMGBSQ-VHSXEESVSA-N -1 0 322.383 -0.642 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001610225229 1019654351 /nfs/dbraw/zinc/65/43/51/1019654351.db2.gz LPFIFRAKWZTBEO-QWRGUYRKSA-N -1 0 308.400 -0.168 20 0 DBADRM COCC[C@@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)C(N)=O ZINC001610254251 1019662087 /nfs/dbraw/zinc/66/20/87/1019662087.db2.gz VPQJJSXTHKSOTF-MRVPVSSYSA-N -1 0 308.356 -0.949 20 0 DBADRM COC[C@@](C)(NCc1nnnn1CC1CCOCC1)C(=O)[O-] ZINC001610245158 1019655580 /nfs/dbraw/zinc/65/55/80/1019655580.db2.gz ZTAVXKWHCPBQEC-CYBMUJFWSA-N -1 0 313.358 -0.321 20 0 DBADRM COCC(=O)N(C)CC(=O)N(CC(=O)[O-])c1cccc(C)n1 ZINC001610240980 1019655735 /nfs/dbraw/zinc/65/57/35/1019655735.db2.gz NVIIKSFIZHCLSF-UHFFFAOYSA-N -1 0 309.322 -0.088 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)Cc1nc2ncccn2n1 ZINC001610241338 1019655928 /nfs/dbraw/zinc/65/59/28/1019655928.db2.gz IPCVBPJSXPBMOJ-ZDUSSCGKSA-N -1 0 307.310 -0.337 20 0 DBADRM COC[C@](C)(NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC001610244236 1019656227 /nfs/dbraw/zinc/65/62/27/1019656227.db2.gz APGRHRHTZRPHPJ-CABZTGNLSA-N -1 0 319.379 -0.193 20 0 DBADRM COC[C@@H](CO)NC(=O)C(=O)Nc1scc(C(=O)[O-])c1C ZINC001610244721 1019657068 /nfs/dbraw/zinc/65/70/68/1019657068.db2.gz IPXRPUBWDZGWAS-SSDOTTSWSA-N -1 0 316.335 -0.183 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OC ZINC001610251770 1019659720 /nfs/dbraw/zinc/65/97/20/1019659720.db2.gz ZYNLGZBLPLRQOY-ZCFIWIBFSA-N -1 0 307.280 -0.556 20 0 DBADRM COC[C@@H](NC(=O)c1cncc(N2CCOCC2)c1)C(=O)[O-] ZINC001610248472 1019659928 /nfs/dbraw/zinc/65/99/28/1019659928.db2.gz FSSQKBZAUGTTSM-GFCCVEGCSA-N -1 0 309.322 -0.252 20 0 DBADRM COC[C@@H](O)CCNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001610249492 1019660100 /nfs/dbraw/zinc/66/01/00/1019660100.db2.gz QUHSRWVXQYOTSB-NSHDSACASA-N -1 0 317.363 -0.011 20 0 DBADRM COCC[C@H](NC(=O)CCc1nc(N(C)C)no1)C(=O)[O-] ZINC001610255953 1019662638 /nfs/dbraw/zinc/66/26/38/1019662638.db2.gz QWWFVCNWWZVYDI-QMMMGPOBSA-N -1 0 300.315 -0.326 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H](C)N1CCN(C)CC1 ZINC001610260248 1019663048 /nfs/dbraw/zinc/66/30/48/1019663048.db2.gz QGVZACJFQUCBKW-GFCCVEGCSA-N -1 0 301.387 -0.428 20 0 DBADRM C[C@H](CNC(=O)CCc1cn[nH]c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001506016877 1019663118 /nfs/dbraw/zinc/66/31/18/1019663118.db2.gz JGEDMPKCZKULMO-SECBINFHSA-N -1 0 307.358 -0.197 20 0 DBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001610267776 1019663875 /nfs/dbraw/zinc/66/38/75/1019663875.db2.gz BVNNVONNKXZPQJ-JTQLQIEISA-N -1 0 316.335 -0.494 20 0 DBADRM CCCc1cc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])n(C)n1 ZINC001610261969 1019664121 /nfs/dbraw/zinc/66/41/21/1019664121.db2.gz RMGJLWMSCMUFLT-CYBMUJFWSA-N -1 0 312.326 -0.737 20 0 DBADRM COCCn1cnnc1SCCc1cn(CC(=O)[O-])nn1 ZINC001610267500 1019665393 /nfs/dbraw/zinc/66/53/93/1019665393.db2.gz ORZPMPCWPQOBMQ-UHFFFAOYSA-N -1 0 312.355 -0.065 20 0 DBADRM COCCN1CN(C(=O)NCCSCC(=O)[O-])CC1=O ZINC001610261663 1019665588 /nfs/dbraw/zinc/66/55/88/1019665588.db2.gz MHSLZIZJVUVOJP-UHFFFAOYSA-N -1 0 305.356 -0.738 20 0 DBADRM CCNC(=O)C1(CNC(=O)C(=O)N(C)CCC(=O)[O-])CCC1 ZINC001610302407 1019666871 /nfs/dbraw/zinc/66/68/71/1019666871.db2.gz HENBQLGXROTYGQ-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM COCc1nc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cs1 ZINC001610271431 1019667101 /nfs/dbraw/zinc/66/71/01/1019667101.db2.gz BLHHNIJMEARJMK-UHFFFAOYSA-N -1 0 311.323 -0.104 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001610284159 1019667436 /nfs/dbraw/zinc/66/74/36/1019667436.db2.gz CZFBJEDDDQWNDZ-QMMMGPOBSA-N -1 0 307.262 -0.070 20 0 DBADRM COC[C@@H](C(N)=O)N(C)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001610268992 1019668582 /nfs/dbraw/zinc/66/85/82/1019668582.db2.gz YUPMIZDIYUZTIY-NSHDSACASA-N -1 0 310.306 -0.278 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N[C@H]2CNC(=O)C2)c1 ZINC001610317821 1019669847 /nfs/dbraw/zinc/66/98/47/1019669847.db2.gz UUPOSIBMRNHSDJ-SSDOTTSWSA-N -1 0 321.289 -0.663 20 0 DBADRM COc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cn1 ZINC001610345115 1019670335 /nfs/dbraw/zinc/67/03/35/1019670335.db2.gz GIXBUCHZLJPABZ-BDAKNGLRSA-N -1 0 316.335 -0.454 20 0 DBADRM CCOC(=O)C1=C(COC(=O)[C@H](C)C(=O)[O-])NC(=O)N[C@@H]1C ZINC001610314130 1019671107 /nfs/dbraw/zinc/67/11/07/1019671107.db2.gz ATGLFRPBMFIWSE-RNFRBKRXSA-N -1 0 314.294 -0.231 20 0 DBADRM COc1ccc([C@H](NC(=O)C2(NC(N)=O)CC2)C(=O)[O-])cc1O ZINC001610320963 1019671508 /nfs/dbraw/zinc/67/15/08/1019671508.db2.gz MQAGTEIVNQXZED-JTQLQIEISA-N -1 0 323.305 -0.156 20 0 DBADRM COc1ccc(N2CCN(C(=O)COCC(=O)[O-])CC2)nc1 ZINC001610338670 1019671871 /nfs/dbraw/zinc/67/18/71/1019671871.db2.gz AWPPTHDSMLXEHK-UHFFFAOYSA-N -1 0 309.322 -0.160 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)c2cc(C(=O)[O-])co2)C1 ZINC001610375672 1019672920 /nfs/dbraw/zinc/67/29/20/1019672920.db2.gz QIXHPSMADLZFIW-UHFFFAOYSA-N -1 0 302.308 -0.401 20 0 DBADRM CS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001610373879 1019673113 /nfs/dbraw/zinc/67/31/13/1019673113.db2.gz ZMUQXZRJBFYILK-QMMMGPOBSA-N -1 0 316.339 -0.382 20 0 DBADRM CS(=O)(=O)Cc1noc(CN[C@@H]2CCC[C@@H]2C(=O)[O-])n1 ZINC001610375342 1019673576 /nfs/dbraw/zinc/67/35/76/1019673576.db2.gz ILCVXJOOVMZTOM-JGVFFNPUSA-N -1 0 303.340 -0.043 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)Nc2c[nH]nc2C(=O)[O-])CC1 ZINC001610375274 1019674037 /nfs/dbraw/zinc/67/40/37/1019674037.db2.gz GMLUDULNPBOCTG-UHFFFAOYSA-N -1 0 316.339 -0.282 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC001610375500 1019674242 /nfs/dbraw/zinc/67/42/42/1019674242.db2.gz OULXGPXSQUMNSB-RXMQYKEDSA-N -1 0 306.262 -0.553 20 0 DBADRM COc1ncccc1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001610371018 1019674403 /nfs/dbraw/zinc/67/44/03/1019674403.db2.gz MDEGZYLEAMFSRY-JTQLQIEISA-N -1 0 307.306 -0.104 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001610376171 1019674807 /nfs/dbraw/zinc/67/48/07/1019674807.db2.gz YCGUKZWSKVAGHM-MRVPVSSYSA-N -1 0 315.351 -0.276 20 0 DBADRM C[C@@H](O)CN(C)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001610391143 1019675740 /nfs/dbraw/zinc/67/57/40/1019675740.db2.gz PUUWETYVHQNFSE-SECBINFHSA-N -1 0 310.306 -0.072 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)N[C@H](C)CC(=O)[O-])[C@H](C)C1 ZINC001610383371 1019675889 /nfs/dbraw/zinc/67/58/89/1019675889.db2.gz XKDNQSRIZROPSA-NXEZZACHSA-N -1 0 321.399 -0.085 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCc2cscn2)C[C@H]1C(=O)[O-] ZINC001610393120 1019675928 /nfs/dbraw/zinc/67/59/28/1019675928.db2.gz WXDKKJWCMFCLDP-PSASIEDQSA-N -1 0 311.363 -0.019 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001610394239 1019675948 /nfs/dbraw/zinc/67/59/48/1019675948.db2.gz ZUPFYVCSYOCANC-GGVZMXCHSA-N -1 0 307.306 -0.111 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001610394243 1019676002 /nfs/dbraw/zinc/67/60/02/1019676002.db2.gz ZUPFYVCSYOCANC-ONOSFVFSSA-N -1 0 307.306 -0.111 20 0 DBADRM CSCC[C@H](OC(=O)CN1CCCS1(=O)=O)C(=O)[O-] ZINC001610386027 1019676080 /nfs/dbraw/zinc/67/60/80/1019676080.db2.gz GHWLXJXPTQDVIO-QMMMGPOBSA-N -1 0 311.381 -0.229 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCC2(C)OCCO2)C[C@H]1C(=O)[O-] ZINC001610393108 1019676295 /nfs/dbraw/zinc/67/62/95/1019676295.db2.gz WMNGHSLMMLKADT-NXEZZACHSA-N -1 0 314.338 -0.565 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)C[C@H]1C(=O)[O-] ZINC001610392844 1019676334 /nfs/dbraw/zinc/67/63/34/1019676334.db2.gz LJXDNZACUXPGSH-HTQZYQBOSA-N -1 0 320.305 -0.702 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001610379274 1019676673 /nfs/dbraw/zinc/67/66/73/1019676673.db2.gz PKHBSBCHECOZCZ-OAQYLSRUSA-N -1 0 315.351 -0.491 20 0 DBADRM C[S@](=O)C1(CNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])CC1 ZINC001610378663 1019677704 /nfs/dbraw/zinc/67/77/04/1019677704.db2.gz DKSVYGMMGBJSJU-BTKVJGODSA-N -1 0 316.379 -0.521 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(N)=O)c2)C[C@H]1C(=O)[O-] ZINC001610392533 1019677760 /nfs/dbraw/zinc/67/77/60/1019677760.db2.gz DYZBUVRPXJTYLR-LDYMZIIASA-N -1 0 319.317 -0.097 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2C)cnn1CC(=O)[O-] ZINC001610421387 1019678779 /nfs/dbraw/zinc/67/87/79/1019678779.db2.gz QLYURFJTETUAFG-APPZFPTMSA-N -1 0 310.310 -0.804 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H](C)c2cn[nH]c2)cnn1CC(=O)[O-] ZINC001610420084 1019678942 /nfs/dbraw/zinc/67/89/42/1019678942.db2.gz IOLRKEKGVOHVGT-ZETCQYMHSA-N -1 0 320.309 -0.185 20 0 DBADRM Cc1c(NC(=O)C(=O)NCc2ccccn2)cnn1CC(=O)[O-] ZINC001610418294 1019679173 /nfs/dbraw/zinc/67/91/73/1019679173.db2.gz HOYGYEQVWBDDIU-UHFFFAOYSA-N -1 0 317.305 -0.074 20 0 DBADRM Cc1cc(=O)n2nc(COC(=O)COCC(=O)[O-])sc2n1 ZINC001610431010 1019679498 /nfs/dbraw/zinc/67/94/98/1019679498.db2.gz NSOIRROKLFISGP-UHFFFAOYSA-N -1 0 313.291 -0.396 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@@H]2CCCOC2)cnn1CC(=O)[O-] ZINC001610420008 1019679854 /nfs/dbraw/zinc/67/98/54/1019679854.db2.gz HVWUOBHJAQNEIM-JTQLQIEISA-N -1 0 324.337 -0.243 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)cccc1C(=O)[O-] ZINC001610418414 1019680047 /nfs/dbraw/zinc/68/00/47/1019680047.db2.gz AIUBLVOUFQSDIM-SECBINFHSA-N -1 0 319.317 -0.034 20 0 DBADRM Cc1c(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)nn2c1OCCC2 ZINC001610405241 1019680145 /nfs/dbraw/zinc/68/01/45/1019680145.db2.gz CZNCQJYWHYRIGU-UWVGGRQHSA-N -1 0 309.322 -0.118 20 0 DBADRM C[C@H](NC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O)C(=O)[O-] ZINC001610394343 1019680267 /nfs/dbraw/zinc/68/02/67/1019680267.db2.gz LDBHANNGZPWLLY-VFZGTOFNSA-N -1 0 306.318 -0.017 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@@H](O)C(C)(C)C2)cnn1CC(=O)[O-] ZINC001610417485 1019680619 /nfs/dbraw/zinc/68/06/19/1019680619.db2.gz LYNDKPTWPYUOIE-SNVBAGLBSA-N -1 0 324.337 -0.556 20 0 DBADRM Cc1[nH]ncc1C(=O)O[C@@H]1COC[C@H]1n1cc(C(=O)[O-])nn1 ZINC001610404913 1019680720 /nfs/dbraw/zinc/68/07/20/1019680720.db2.gz OOTZSJUSYVRIMR-NXEZZACHSA-N -1 0 307.266 -0.195 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)Cc2nc[nH]n2)c(C(=O)[O-])[nH]1 ZINC001610468422 1019681742 /nfs/dbraw/zinc/68/17/42/1019681742.db2.gz YXVMLCMQUWSEBX-UHFFFAOYSA-N -1 0 306.282 -0.263 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)c(C(=O)[O-])[nH]1 ZINC001610470204 1019681883 /nfs/dbraw/zinc/68/18/83/1019681883.db2.gz DVCZNNKSCBAIIO-ZETCQYMHSA-N -1 0 308.294 -0.693 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001610475616 1019682020 /nfs/dbraw/zinc/68/20/20/1019682020.db2.gz GLRWVOOAYHJDTO-GXFFZTMASA-N -1 0 310.306 -0.701 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)n(C)n1 ZINC001610468808 1019682392 /nfs/dbraw/zinc/68/23/92/1019682392.db2.gz CEJJMFGCVACCEU-NSHDSACASA-N -1 0 324.337 -0.649 20 0 DBADRM CCc1cnc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])s1 ZINC001610438009 1019682799 /nfs/dbraw/zinc/68/27/99/1019682799.db2.gz QOWKVASCUYZFKG-LLVKDONJSA-N -1 0 301.324 -0.404 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cn(C)c1=O ZINC001610470238 1019683053 /nfs/dbraw/zinc/68/30/53/1019683053.db2.gz YOELLGWYASAXPK-URLYPYJESA-N -1 0 319.317 -0.579 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001610475617 1019683810 /nfs/dbraw/zinc/68/38/10/1019683810.db2.gz GLRWVOOAYHJDTO-MFKMUULPSA-N -1 0 310.306 -0.701 20 0 DBADRM Cc1ccc([C@H](CNC(=O)CN2C(=O)CNC2=O)C(=O)[O-])cc1 ZINC001610492668 1019684918 /nfs/dbraw/zinc/68/49/18/1019684918.db2.gz PHPLKLRIRMXESD-NSHDSACASA-N -1 0 319.317 -0.169 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)Cc1cncn1C ZINC001506045939 1019685860 /nfs/dbraw/zinc/68/58/60/1019685860.db2.gz GUUSXYTZFCOZQJ-SECBINFHSA-N -1 0 323.357 -0.941 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NCCNS(C)(=O)=O ZINC001610542767 1019686164 /nfs/dbraw/zinc/68/61/64/1019686164.db2.gz HQODGZNGLLRRCF-UHFFFAOYSA-N -1 0 304.324 -0.506 20 0 DBADRM Cc1ccoc1CN(C)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001610537183 1019686382 /nfs/dbraw/zinc/68/63/82/1019686382.db2.gz BYGXFHGRVMAVSU-GHMZBOCLSA-N -1 0 324.333 -0.160 20 0 DBADRM Cc1ccc(C(=O)N[C@H](CF)C(=O)[O-])cc1S(N)(=O)=O ZINC001610483709 1019686738 /nfs/dbraw/zinc/68/67/38/1019686738.db2.gz GXVWMJYZQZRVAZ-MRVPVSSYSA-N -1 0 304.299 -0.205 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])n1 ZINC001610564149 1019687971 /nfs/dbraw/zinc/68/79/71/1019687971.db2.gz LTOWIDZZNCSBIL-NSHDSACASA-N -1 0 306.322 -0.133 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)nn2)no1 ZINC001610557128 1019688132 /nfs/dbraw/zinc/68/81/32/1019688132.db2.gz QYBLCTFZYMHIHH-VROVMSAKSA-N -1 0 318.293 -0.580 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])nn2)no1 ZINC001610557377 1019688582 /nfs/dbraw/zinc/68/85/82/1019688582.db2.gz XZWQCPONHVJRIA-SSDOTTSWSA-N -1 0 308.298 -0.189 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCN2CC=CCC2)c1C(=O)[O-] ZINC001610549674 1019688772 /nfs/dbraw/zinc/68/87/72/1019688772.db2.gz GRVLBECJCSJOAR-UHFFFAOYSA-N -1 0 314.367 -0.043 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001610569186 1019689383 /nfs/dbraw/zinc/68/93/83/1019689383.db2.gz PVBURLCNQAEWIE-UWVGGRQHSA-N -1 0 309.322 -0.486 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001610568573 1019689470 /nfs/dbraw/zinc/68/94/70/1019689470.db2.gz NJIIBFJAYGCHHK-ZJUUUORDSA-N -1 0 324.337 -0.731 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)n1 ZINC001610564217 1019689512 /nfs/dbraw/zinc/68/95/12/1019689512.db2.gz NWIMVBZQZXTWBV-LDYMZIIASA-N -1 0 306.322 -0.277 20 0 DBADRM Cc1nc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)co1 ZINC001610551949 1019690173 /nfs/dbraw/zinc/69/01/73/1019690173.db2.gz DWFCJYVIEXKOHA-UHFFFAOYSA-N -1 0 302.308 -0.255 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)cn1C ZINC001610560958 1019690251 /nfs/dbraw/zinc/69/02/51/1019690251.db2.gz QWRKFQPOEKOPNQ-SNVBAGLBSA-N -1 0 313.339 -0.434 20 0 DBADRM Cc1ncc(S(=O)(=O)NC[C@@]2(O)CCOC2)cc1C(=O)[O-] ZINC001610565659 1019690300 /nfs/dbraw/zinc/69/03/00/1019690300.db2.gz UPYHUYCTZWHODI-LBPRGKRZSA-N -1 0 316.335 -0.482 20 0 DBADRM Cc1oc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2=O)cc1C(=O)[O-] ZINC001610586442 1019691331 /nfs/dbraw/zinc/69/13/31/1019691331.db2.gz FXLDRCOQCPHSFZ-SSDOTTSWSA-N -1 0 316.291 -0.678 20 0 DBADRM Cc1oc(CNC(=O)N2CCO[C@H](C(N)=O)C2)cc1C(=O)[O-] ZINC001610584660 1019691552 /nfs/dbraw/zinc/69/15/52/1019691552.db2.gz DLRPJELXRANBHC-JTQLQIEISA-N -1 0 311.294 -0.318 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@H]1CCC(=O)N1C ZINC001610571165 1019691932 /nfs/dbraw/zinc/69/19/32/1019691932.db2.gz GZSMRJWDKHFHTN-LLVKDONJSA-N -1 0 308.338 -0.178 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2CCC(CC(=O)[O-])CC2)n1 ZINC001610575806 1019691993 /nfs/dbraw/zinc/69/19/93/1019691993.db2.gz BSMIAUPYBJGHBO-UHFFFAOYSA-N -1 0 324.337 -0.250 20 0 DBADRM Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001610569612 1019692014 /nfs/dbraw/zinc/69/20/14/1019692014.db2.gz KQFACTVXQYUXNA-LDYMZIIASA-N -1 0 324.337 -0.782 20 0 DBADRM Cc1noc(CNC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001610576357 1019692138 /nfs/dbraw/zinc/69/21/38/1019692138.db2.gz SUIZKIVIQXYVSP-MRVPVSSYSA-N -1 0 321.297 -0.176 20 0 DBADRM Cc1nnc(N(C)S(=O)(=O)c2cnn(CC(=O)[O-])c2)s1 ZINC001610572486 1019692359 /nfs/dbraw/zinc/69/23/59/1019692359.db2.gz FZZYTGWRMMKQLL-UHFFFAOYSA-N -1 0 317.352 -0.047 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001610570942 1019692657 /nfs/dbraw/zinc/69/26/57/1019692657.db2.gz CVKARQXZKCISFB-SNVBAGLBSA-N -1 0 308.338 -0.273 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001610569707 1019693217 /nfs/dbraw/zinc/69/32/17/1019693217.db2.gz QKCHYFXKOYVFRS-DTWKUNHWSA-N -1 0 303.340 -0.815 20 0 DBADRM Cc1sc(=O)n(CCC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1C ZINC001610590235 1019694598 /nfs/dbraw/zinc/69/45/98/1019694598.db2.gz RGPTUBCQKJXUTO-ZJUUUORDSA-N -1 0 314.363 -0.037 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Oc2ccc(CC(=O)[O-])cc2)c1=O ZINC001610595425 1019695164 /nfs/dbraw/zinc/69/51/64/1019695164.db2.gz MUKGZFYGCSXFNK-UHFFFAOYSA-N -1 0 318.285 -0.220 20 0 DBADRM Cn1cc([C@@H]2C[S@@](=O)CCN2C[C@@](C)(O)C(=O)[O-])cn1 ZINC001610602183 1019695259 /nfs/dbraw/zinc/69/52/59/1019695259.db2.gz TZXFEWVFZRNCMC-PCIORBNZSA-N -1 0 301.368 -0.639 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)Nc2c(C(=O)[O-])cnn2C)cn1 ZINC001610601952 1019696232 /nfs/dbraw/zinc/69/62/32/1019696232.db2.gz PHYPMENELXVWAK-VIFPVBQESA-N -1 0 308.298 -0.293 20 0 DBADRM Cn1ccnc1[C@H](O)C1CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC001610610480 1019697039 /nfs/dbraw/zinc/69/70/39/1019697039.db2.gz VSVAOFYNRKSUEH-CQSZACIVSA-N -1 0 324.381 -0.244 20 0 DBADRM Cn1cc(NC(=O)c2ccc(C(=O)[O-])nc2)c(=O)n(C)c1=O ZINC001610605357 1019697243 /nfs/dbraw/zinc/69/72/43/1019697243.db2.gz BGIZDTVTKOGGCH-UHFFFAOYSA-N -1 0 304.262 -0.571 20 0 DBADRM Cn1cc(NC(=O)Cc2ccc(C(=O)[O-])cc2)c(=O)n(C)c1=O ZINC001610606473 1019697603 /nfs/dbraw/zinc/69/76/03/1019697603.db2.gz RTJQHCCBOWGRDB-UHFFFAOYSA-N -1 0 317.301 -0.037 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCC2(C)OCCO2)cc1C(=O)[O-] ZINC001610604825 1019698205 /nfs/dbraw/zinc/69/82/05/1019698205.db2.gz OHABREXWKPSIQC-UHFFFAOYSA-N -1 0 311.294 -0.459 20 0 DBADRM Cn1cnn(CC(=O)NCCOc2ccc(C(=O)[O-])cc2)c1=O ZINC001610611138 1019698278 /nfs/dbraw/zinc/69/82/78/1019698278.db2.gz BNWJFUYTIVNHQL-UHFFFAOYSA-N -1 0 320.305 -0.525 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)cc1C(=O)[O-] ZINC001610604069 1019698387 /nfs/dbraw/zinc/69/83/87/1019698387.db2.gz CQUJYSMBNISHPZ-MYJAWHEDSA-N -1 0 307.306 -0.642 20 0 DBADRM Cn1cnnc1CNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001610611996 1019699695 /nfs/dbraw/zinc/69/96/95/1019699695.db2.gz MSHBIALWURYHLF-BDAKNGLRSA-N -1 0 302.356 -0.122 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCC1(CO)CCC1 ZINC001610614773 1019700214 /nfs/dbraw/zinc/70/02/14/1019700214.db2.gz ZVCSANKCUYYKSB-UHFFFAOYSA-N -1 0 310.310 -0.664 20 0 DBADRM Cn1nc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1OC(F)F ZINC001610612734 1019700874 /nfs/dbraw/zinc/70/08/74/1019700874.db2.gz LTWIBKFUXPOFRP-RNFRBKRXSA-N -1 0 319.264 -0.071 20 0 DBADRM Cn1cnnc1CNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001610611997 1019701390 /nfs/dbraw/zinc/70/13/90/1019701390.db2.gz MSHBIALWURYHLF-DTWKUNHWSA-N -1 0 302.356 -0.122 20 0 DBADRM Cn1nnnc1CCNS(=O)(=O)c1ccsc1C(=O)[O-] ZINC001610617754 1019702620 /nfs/dbraw/zinc/70/26/20/1019702620.db2.gz HEFTURYOUOFPRN-UHFFFAOYSA-N -1 0 317.352 -0.509 20 0 DBADRM Cn1ncc2c1nc(N1CC(n3cc(C(=O)[O-])nn3)C1)[nH]c2=O ZINC001610615146 1019702806 /nfs/dbraw/zinc/70/28/06/1019702806.db2.gz CISGUNMRFFSTTG-UHFFFAOYSA-N -1 0 316.281 -0.580 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)O[C@@H](C(=O)[O-])C1CC1)c2=O ZINC001610615524 1019703170 /nfs/dbraw/zinc/70/31/70/1019703170.db2.gz WPJVPUCQOBQHQJ-SNVBAGLBSA-N -1 0 306.278 -0.464 20 0 DBADRM NC(=O)[C@@H](OC(=O)Cn1cc(C(=O)[O-])nn1)c1ccccc1 ZINC001610635806 1019704972 /nfs/dbraw/zinc/70/49/72/1019704972.db2.gz XKJYYYKFZBTFOH-NSHDSACASA-N -1 0 304.262 -0.254 20 0 DBADRM NC(=O)C1(CNC(=O)c2ccnc(C(=O)[O-])c2)CCOCC1 ZINC001610634947 1019705560 /nfs/dbraw/zinc/70/55/60/1019705560.db2.gz LKYCEYVLVLVOAF-UHFFFAOYSA-N -1 0 307.306 -0.208 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC001610635770 1019706131 /nfs/dbraw/zinc/70/61/31/1019706131.db2.gz QRPXLHIJELYMRW-UTLUCORTSA-N -1 0 311.338 -0.920 20 0 DBADRM NC(=O)[C@@H]1CC(C(=O)N[C@H](CF)C(=O)[O-])=NN1c1ccccc1 ZINC001610634666 1019706204 /nfs/dbraw/zinc/70/62/04/1019706204.db2.gz DHYRNSNSOHPOQN-MNOVXSKESA-N -1 0 322.296 -0.355 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC001610635768 1019706985 /nfs/dbraw/zinc/70/69/85/1019706985.db2.gz QRPXLHIJELYMRW-KXUCPTDWSA-N -1 0 311.338 -0.920 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1 ZINC001610634825 1019707175 /nfs/dbraw/zinc/70/71/75/1019707175.db2.gz JPJWUVQTMMHGHR-UHFFFAOYSA-N -1 0 302.283 -0.180 20 0 DBADRM NC(=O)N[C@@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)C1 ZINC001610638345 1019708857 /nfs/dbraw/zinc/70/88/57/1019708857.db2.gz LSAOEKYWKRPHFR-SECBINFHSA-N -1 0 319.383 -0.296 20 0 DBADRM NC(=O)c1ccc(CC(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])cc1 ZINC001610640595 1019709251 /nfs/dbraw/zinc/70/92/51/1019709251.db2.gz QMLLQHCMIZVQCQ-LBPRGKRZSA-N -1 0 316.317 -0.206 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cn1 ZINC001610640303 1019709934 /nfs/dbraw/zinc/70/99/34/1019709934.db2.gz JTFKSVJWVKIIEK-ZJUUUORDSA-N -1 0 322.321 -0.843 20 0 DBADRM Nc1ccccc1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001610648270 1019711310 /nfs/dbraw/zinc/71/13/10/1019711310.db2.gz PELHTOVCAILXKB-BDAKNGLRSA-N -1 0 300.336 -0.275 20 0 DBADRM O=C(C[C@H]1CCCO1)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001610652117 1019713838 /nfs/dbraw/zinc/71/38/38/1019713838.db2.gz RRKNSXGOPZIQDZ-SECBINFHSA-N -1 0 305.352 -0.296 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CN1CC(=O)NC1=O)c1ccc(F)cc1 ZINC001610662684 1019714350 /nfs/dbraw/zinc/71/43/50/1019714350.db2.gz YASGAPDLELBNEM-JTQLQIEISA-N -1 0 323.280 -0.338 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001610655611 1019714977 /nfs/dbraw/zinc/71/49/77/1019714977.db2.gz JNKFUQJIYPKUOL-LBPRGKRZSA-N -1 0 315.351 -0.605 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)CCc2ccc(=O)[nH]c2)nn1 ZINC001610659405 1019715480 /nfs/dbraw/zinc/71/54/80/1019715480.db2.gz PPFUZAHTWRLOTJ-UHFFFAOYSA-N -1 0 305.294 -0.174 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)CN1CC[C@@H](CO)[C@H](O)C1 ZINC001610662122 1019715819 /nfs/dbraw/zinc/71/58/19/1019715819.db2.gz ALIFVPSVXZYPIQ-GXFFZTMASA-N -1 0 308.334 -0.002 20 0 DBADRM O=C([O-])c1ccc(NC(=O)CN2CCS(=O)(=O)CC2)cn1 ZINC001610663595 1019716409 /nfs/dbraw/zinc/71/64/09/1019716409.db2.gz BNIPXXZYNTWNEI-UHFFFAOYSA-N -1 0 313.335 -0.551 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1cc[nH]c(=O)c1Br ZINC001610682746 1019717036 /nfs/dbraw/zinc/71/70/36/1019717036.db2.gz AKLTWXGFUHNIIW-RXMQYKEDSA-N -1 0 305.084 -0.275 20 0 DBADRM O=C([O-])[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(O)cc1 ZINC001610678274 1019717478 /nfs/dbraw/zinc/71/74/78/1019717478.db2.gz ONMMEEHYIQGUGF-GFCCVEGCSA-N -1 0 319.273 -0.403 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCSC1 ZINC001610683560 1019717566 /nfs/dbraw/zinc/71/75/66/1019717566.db2.gz VLGBLRQYSWKOQZ-AMIZOPFISA-N -1 0 324.362 -0.161 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC001610671803 1019718372 /nfs/dbraw/zinc/71/83/72/1019718372.db2.gz OEAYMHFHWNQLHJ-LURJTMIESA-N -1 0 319.364 -0.033 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001610683373 1019718796 /nfs/dbraw/zinc/71/87/96/1019718796.db2.gz RGROMPCZIHISAM-GHMZBOCLSA-N -1 0 313.354 -0.524 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)NCc2cn[nH]n2)ccc1F ZINC001610696850 1019720105 /nfs/dbraw/zinc/72/01/05/1019720105.db2.gz OBXMUWWLQCIBHY-UHFFFAOYSA-N -1 0 307.241 -0.103 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)NCC1(CO)COC1 ZINC001610690098 1019720134 /nfs/dbraw/zinc/72/01/34/1019720134.db2.gz GDIUKSPWILPEJY-UHFFFAOYSA-N -1 0 314.319 -0.490 20 0 DBADRM O=C([O-])[C@H]1CC12CCN(C(=O)C(=O)NC[C@H]1CCCO1)CC2 ZINC001610692183 1019720786 /nfs/dbraw/zinc/72/07/86/1019720786.db2.gz USPMQMTXERSWNP-GHMZBOCLSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@@H]2CCSC2)C1 ZINC001610689783 1019720900 /nfs/dbraw/zinc/72/09/00/1019720900.db2.gz APRJHHNINCWJOD-LPEHRKFASA-N -1 0 316.379 -0.850 20 0 DBADRM O=C([O-])c1sccc1NC(=O)C(=O)NCCc1nnc[nH]1 ZINC001610695926 1019721542 /nfs/dbraw/zinc/72/15/42/1019721542.db2.gz SGVKVJBZTCFSRS-UHFFFAOYSA-N -1 0 309.307 -0.138 20 0 DBADRM CC1(CNC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CCC1 ZINC001575779188 1019723152 /nfs/dbraw/zinc/72/31/52/1019723152.db2.gz FJFAVWWABXIARO-UHFFFAOYSA-N -1 0 319.325 -0.565 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC001610715388 1019723075 /nfs/dbraw/zinc/72/30/75/1019723075.db2.gz FCYWDKFYPGVSTN-OLZOCXBDSA-N -1 0 320.345 -0.218 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H](O)C2CCOCC2)CCC1 ZINC001610727174 1019723092 /nfs/dbraw/zinc/72/30/92/1019723092.db2.gz CDZJEDPIWVJWRS-LLVKDONJSA-N -1 0 321.395 -0.052 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@H]1CCCN(c2ccccc2)C1=O ZINC001610714929 1019723110 /nfs/dbraw/zinc/72/31/10/1019723110.db2.gz AEXBJXAEGSUOSD-NEPJUHHUSA-N -1 0 306.318 -0.009 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CCN3)CCO1 ZINC001610710532 1019723162 /nfs/dbraw/zinc/72/31/62/1019723162.db2.gz SQWUOFOZSFUJLM-LBPRGKRZSA-N -1 0 319.317 -0.095 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1cc(N2CCNC2=O)ccc1F ZINC001610702067 1019723353 /nfs/dbraw/zinc/72/33/53/1019723353.db2.gz YDCPLUVZIYUQRZ-JTQLQIEISA-N -1 0 311.269 -0.469 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC001610702031 1019723472 /nfs/dbraw/zinc/72/34/72/1019723472.db2.gz VKHRASBIRMXZMP-WDEREUQCSA-N -1 0 324.358 -0.237 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@]2(O)CCOC2)CCCC1 ZINC001610727168 1019723627 /nfs/dbraw/zinc/72/36/27/1019723627.db2.gz CAVDUAAZLSEDDO-LBPRGKRZSA-N -1 0 307.368 -0.298 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@H]1CCCN(c2ccccc2)C1=O ZINC001610714935 1019723647 /nfs/dbraw/zinc/72/36/47/1019723647.db2.gz AEXBJXAEGSUOSD-VXGBXAGGSA-N -1 0 306.318 -0.009 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C2=NN(CCO)C(=O)CC2)cn1 ZINC001610707300 1019724368 /nfs/dbraw/zinc/72/43/68/1019724368.db2.gz ZAOWZRJPCCZWGQ-UHFFFAOYSA-N -1 0 306.278 -0.311 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1cc2c(cn1)OCCO2 ZINC001610731819 1019724666 /nfs/dbraw/zinc/72/46/66/1019724666.db2.gz BCYNQOAANVJGSD-JOYOIKCWSA-N -1 0 308.290 -0.097 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCCn2ccnn2)CCC1 ZINC001610728188 1019724732 /nfs/dbraw/zinc/72/47/32/1019724732.db2.gz WHHTYJPEQCNZMB-UHFFFAOYSA-N -1 0 302.356 -0.158 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC001610737389 1019724971 /nfs/dbraw/zinc/72/49/71/1019724971.db2.gz KQLRYFKOJVUHTI-WCABBAIRSA-N -1 0 311.338 -0.773 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(S(=O)(=O)C1COC1)CC2 ZINC001610731433 1019725127 /nfs/dbraw/zinc/72/51/27/1019725127.db2.gz NCDXJHYYYMOENY-UHFFFAOYSA-N -1 0 304.324 -0.590 20 0 DBADRM O=C([O-])C1(O)CCN(S(=O)(=O)C[C@@H]2CCCOC2)CC1 ZINC001610729999 1019726031 /nfs/dbraw/zinc/72/60/31/1019726031.db2.gz NWIHBTAURNMWAK-SNVBAGLBSA-N -1 0 307.368 -0.346 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCC[C@@H](N3CCCC3=O)C2)C1 ZINC001610735066 1019726731 /nfs/dbraw/zinc/72/67/31/1019726731.db2.gz MVGDUOUIAGKQEG-VXGBXAGGSA-N -1 0 309.366 -0.036 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CCO1 ZINC001610746644 1019728447 /nfs/dbraw/zinc/72/84/47/1019728447.db2.gz WHKIGTJYDXXKCW-YUMQZZPRSA-N -1 0 324.255 -0.148 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC001610739353 1019728551 /nfs/dbraw/zinc/72/85/51/1019728551.db2.gz XIOBUHYHAOEKTD-MXWKQRLJSA-N -1 0 308.338 -0.325 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC001610739352 1019729345 /nfs/dbraw/zinc/72/93/45/1019729345.db2.gz XIOBUHYHAOEKTD-GMTAPVOTSA-N -1 0 308.338 -0.325 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)NCCCn1cccn1 ZINC001610760875 1019731028 /nfs/dbraw/zinc/73/10/28/1019731028.db2.gz CWFIVABXYYGPOJ-LLVKDONJSA-N -1 0 308.338 -0.145 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC001610760792 1019731846 /nfs/dbraw/zinc/73/18/46/1019731846.db2.gz GGNZGVMZYKZPTO-VIFPVBQESA-N -1 0 309.326 -0.212 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)CC1 ZINC001610760873 1019731952 /nfs/dbraw/zinc/73/19/52/1019731952.db2.gz CRXWLJBRTGRTHJ-LBPRGKRZSA-N -1 0 309.366 -0.241 20 0 DBADRM O=C([O-])CCc1nc(CS(=O)(=O)CC2(O)CCC2)no1 ZINC001610779127 1019732838 /nfs/dbraw/zinc/73/28/38/1019732838.db2.gz RXOWKHCPIXPAMF-UHFFFAOYSA-N -1 0 304.324 -0.083 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCSC2)CCO1 ZINC001610763676 1019732953 /nfs/dbraw/zinc/73/29/53/1019732953.db2.gz YJQLPTPPEYIXMB-DTWKUNHWSA-N -1 0 302.352 -0.690 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCCC2(C1)OCCO2 ZINC001610768597 1019733643 /nfs/dbraw/zinc/73/36/43/1019733643.db2.gz UOOVOJDXDLVHTO-UHFFFAOYSA-N -1 0 314.338 -0.277 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1cc(F)cc2n[nH]nc21 ZINC001610774141 1019733732 /nfs/dbraw/zinc/73/37/32/1019733732.db2.gz WEFAGJPDQMCGLU-UHFFFAOYSA-N -1 0 310.241 -0.155 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCC[C@H]1C(=O)NCc1ccco1 ZINC001610774493 1019734901 /nfs/dbraw/zinc/73/49/01/1019734901.db2.gz XLTDIXMFSBVHKK-LBPRGKRZSA-N -1 0 323.349 -0.049 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001610764693 1019735186 /nfs/dbraw/zinc/73/51/86/1019735186.db2.gz CIITYMNNJUYLGE-SSDOTTSWSA-N -1 0 306.278 -0.021 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)/C=C/[C@H]1CCCO1 ZINC001610779923 1019736606 /nfs/dbraw/zinc/73/66/06/1019736606.db2.gz KYEPULQXTZIDRP-ITDFMYJTSA-N -1 0 312.366 -0.033 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC001610782289 1019736680 /nfs/dbraw/zinc/73/66/80/1019736680.db2.gz QGFGBDPYRGKFFP-UHFFFAOYSA-N -1 0 319.317 -0.034 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)/C=C\[C@@H]1CCCO1 ZINC001610779925 1019737645 /nfs/dbraw/zinc/73/76/45/1019737645.db2.gz KYEPULQXTZIDRP-SCOBNMCVSA-N -1 0 312.366 -0.033 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H](CCO)C2CC2)cn1 ZINC001610801408 1019738769 /nfs/dbraw/zinc/73/87/69/1019738769.db2.gz OKLJSTUDKHYGQG-SNVBAGLBSA-N -1 0 303.340 -0.593 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)CN2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC001610798618 1019739372 /nfs/dbraw/zinc/73/93/72/1019739372.db2.gz JCCIVRRQCUXEHO-MYJAWHEDSA-N -1 0 311.363 -0.121 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2C[C@@H](O)C3(CC3)C2)cn1 ZINC001610800443 1019739640 /nfs/dbraw/zinc/73/96/40/1019739640.db2.gz YTTOWHYUFDKSSV-SECBINFHSA-N -1 0 301.324 -0.887 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)Cn3nc4n(c3=O)CCCCC4)C[C@@H]21 ZINC001610803254 1019740272 /nfs/dbraw/zinc/74/02/72/1019740272.db2.gz RKQAWCWIORWUCJ-IWIIMEHWSA-N -1 0 320.349 -0.440 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=S)NCCCN3CCOCC3)C[C@@H]21 ZINC001610803992 1019740513 /nfs/dbraw/zinc/74/05/13/1019740513.db2.gz WFHTXMAAKABYDX-GDNZZTSVSA-N -1 0 313.423 -0.154 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCc2ncccc2F)cn1 ZINC001610801545 1019740610 /nfs/dbraw/zinc/74/06/10/1019740610.db2.gz VCIDTGZRXYZAEC-UHFFFAOYSA-N -1 0 314.298 -0.020 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCOC[C@@H]2CC(F)F)nn1 ZINC001610859160 1019743135 /nfs/dbraw/zinc/74/31/35/1019743135.db2.gz KRMJOYRIYJNQLT-ZETCQYMHSA-N -1 0 304.253 -0.141 20 0 DBADRM O=C([O-])c1nccc(N2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC001610870434 1019744195 /nfs/dbraw/zinc/74/41/95/1019744195.db2.gz XPCJCKCXLHACKW-UHFFFAOYSA-N -1 0 319.365 -0.081 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001610870324 1019748252 /nfs/dbraw/zinc/74/82/52/1019748252.db2.gz AJIVGIOWAKBJRT-LURJTMIESA-N -1 0 304.266 -0.177 20 0 DBADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C(=O)N1CCNC(=O)C1)C2 ZINC001610885546 1019748687 /nfs/dbraw/zinc/74/86/87/1019748687.db2.gz DGGQCFIXDOQEIL-UHFFFAOYSA-N -1 0 317.301 -0.815 20 0 DBADRM CN(C)c1ccccc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001610904611 1019750146 /nfs/dbraw/zinc/75/01/46/1019750146.db2.gz CXMBFLCPDQGKMN-AWEZNQCLSA-N -1 0 309.322 -0.357 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001610956195 1019751902 /nfs/dbraw/zinc/75/19/02/1019751902.db2.gz DLDCUWZVULNUDD-VIFPVBQESA-N -1 0 321.333 -0.107 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])c(N(C)C)c1 ZINC001610981644 1019752021 /nfs/dbraw/zinc/75/20/21/1019752021.db2.gz YKLXEUCWRVCHDW-UHFFFAOYSA-N -1 0 323.305 -0.322 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)C(=O)NCCC(=O)[O-])c1 ZINC001610960174 1019752938 /nfs/dbraw/zinc/75/29/38/1019752938.db2.gz GKAXZMQOJADSQS-UHFFFAOYSA-N -1 0 307.306 -0.747 20 0 DBADRM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCS(=O)(=O)CC(=O)[O-] ZINC001610965234 1019753193 /nfs/dbraw/zinc/75/31/93/1019753193.db2.gz STYHQBFCFTUBDX-UMNHJUIQSA-N -1 0 319.379 -0.241 20 0 DBADRM COC(=O)C1CCN(C(=O)COC(=O)[C@H](C)C(=O)[O-])CC1 ZINC001610968647 1019753225 /nfs/dbraw/zinc/75/32/25/1019753225.db2.gz LCHGVTYVZVXCIW-MRVPVSSYSA-N -1 0 301.295 -0.338 20 0 DBADRM COC(=O)[C@H]1CC12CCN(C(=O)C(=O)NCCC(=O)[O-])CC2 ZINC001610965426 1019753598 /nfs/dbraw/zinc/75/35/98/1019753598.db2.gz YFZOOQURXHYJMQ-SECBINFHSA-N -1 0 312.322 -0.621 20 0 DBADRM COC1CCC(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CC1 ZINC001610991666 1019754804 /nfs/dbraw/zinc/75/48/04/1019754804.db2.gz XEKVGLLAUWGDNW-VQXHTEKXSA-N -1 0 319.379 -0.098 20 0 DBADRM COc1ccc(OC)c(CNC(=O)C(=O)NCCC(=O)[O-])c1 ZINC001611057867 1019756575 /nfs/dbraw/zinc/75/65/75/1019756575.db2.gz KXSBDTVNPPFBRZ-UHFFFAOYSA-N -1 0 310.306 -0.089 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001611194699 1019758091 /nfs/dbraw/zinc/75/80/91/1019758091.db2.gz FZBSZPSPXYQNSX-ABAIWWIYSA-N -1 0 324.333 -0.780 20 0 DBADRM Cc1c(C(=O)N2CCO[C@H](C(=O)[O-])C2)nnn1-c1ccn(C)n1 ZINC001611118630 1019758427 /nfs/dbraw/zinc/75/84/27/1019758427.db2.gz GFDPKKMOJUBWKI-VIFPVBQESA-N -1 0 320.309 -0.765 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCS(=O)(=O)CC(=O)[O-] ZINC001611304976 1019760921 /nfs/dbraw/zinc/76/09/21/1019760921.db2.gz ZHUCFQQUFPLDEM-QXEWZRGKSA-N -1 0 304.368 -0.928 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)[N-]OCC(C)(C)O ZINC001611257099 1019761126 /nfs/dbraw/zinc/76/11/26/1019761126.db2.gz LIQVYOWAKOHQMB-UHFFFAOYSA-N -1 0 321.355 -0.612 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@@H]1CCCNC1=O ZINC001611334115 1019762402 /nfs/dbraw/zinc/76/24/02/1019762402.db2.gz LDQCRKHAPVXZEG-VIFPVBQESA-N -1 0 319.317 -0.034 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCCC3(C2)OCCO3)C1 ZINC001611369655 1019763264 /nfs/dbraw/zinc/76/32/64/1019763264.db2.gz ICXQEUTZDYKPGQ-JTQLQIEISA-N -1 0 312.322 -0.715 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)COCC1CCCC1 ZINC001611402001 1019763687 /nfs/dbraw/zinc/76/36/87/1019763687.db2.gz WKUDGAPUTMZECM-LLVKDONJSA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@H](C(=O)N3CCCC3)C2)C1 ZINC001611362534 1019764007 /nfs/dbraw/zinc/76/40/07/1019764007.db2.gz WICJUXGDWPTTBE-ONGXEEELSA-N -1 0 309.322 -0.313 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)c1 ZINC001611501668 1019765965 /nfs/dbraw/zinc/76/59/65/1019765965.db2.gz LZPHCZYLIIBNMB-SNVBAGLBSA-N -1 0 305.290 -0.743 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCOCC2(CCOCC2)C1 ZINC001611443542 1019766454 /nfs/dbraw/zinc/76/64/54/1019766454.db2.gz XFYPWIYMKNKBIJ-UHFFFAOYSA-N -1 0 314.338 -0.767 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCSC2(CCOCC2)C1 ZINC001611443243 1019766635 /nfs/dbraw/zinc/76/66/35/1019766635.db2.gz KIFCWKPBCBSEGU-UHFFFAOYSA-N -1 0 316.379 -0.298 20 0 DBADRM O=C([O-])CNC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC001611480245 1019766768 /nfs/dbraw/zinc/76/67/68/1019766768.db2.gz XPYLHULEOPJONQ-SECBINFHSA-N -1 0 306.278 -0.357 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N[C@@H]2COC[C@H]2O)c1 ZINC001611501646 1019767730 /nfs/dbraw/zinc/76/77/30/1019767730.db2.gz IADLWOQJCIIDRH-GHMZBOCLSA-N -1 0 308.290 -0.872 20 0 DBADRM C[C@@H]1CC(=O)NN1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC001575939962 1019768969 /nfs/dbraw/zinc/76/89/69/1019768969.db2.gz TZRCZZBGEYVKOO-SECBINFHSA-N -1 0 315.337 -0.392 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCO[C@@H](c2ncon2)C1 ZINC001611552760 1019770716 /nfs/dbraw/zinc/77/07/16/1019770716.db2.gz JVCPOFDKFYWDER-SECBINFHSA-N -1 0 316.277 -0.381 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCCCc2nnnn2C)cc1=O ZINC001617118271 1019784739 /nfs/dbraw/zinc/78/47/39/1019784739.db2.gz LYTYMDIWAAAITE-UHFFFAOYSA-N -1 0 321.385 -0.353 20 0 DBADRM CCC1(C(=O)NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001576015378 1019790652 /nfs/dbraw/zinc/79/06/52/1019790652.db2.gz SEMKBWGLQBJILY-UHFFFAOYSA-N -1 0 309.326 -0.291 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1Cc2cc(F)ccc2NC1=O ZINC001618295057 1019793663 /nfs/dbraw/zinc/79/36/63/1019793663.db2.gz KHCFOWNQCHCMKY-SECBINFHSA-N -1 0 320.280 -0.028 20 0 DBADRM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C(=O)O1 ZINC001576031573 1019797286 /nfs/dbraw/zinc/79/72/86/1019797286.db2.gz WDMYNNAVENKGOS-PHDIDXHHSA-N -1 0 313.295 -0.558 20 0 DBADRM C[C@H]1CC[C@@H](CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)O1 ZINC001576113031 1019811604 /nfs/dbraw/zinc/81/16/04/1019811604.db2.gz BTPWYKRBWDPWAH-IUCAKERBSA-N -1 0 321.345 -0.675 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](C)CN1CCO ZINC001576290460 1019834114 /nfs/dbraw/zinc/83/41/14/1019834114.db2.gz JPZBVALAXKWZMD-UWVGGRQHSA-N -1 0 319.369 -0.278 20 0 DBADRM CC(C)C(=O)N[C@]1(C)CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001506395232 1019840114 /nfs/dbraw/zinc/84/01/14/1019840114.db2.gz STRPQLUYNSZTIA-OAHLLOKOSA-N -1 0 322.365 -0.137 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)n2C)C1 ZINC001576426628 1019848169 /nfs/dbraw/zinc/84/81/69/1019848169.db2.gz KUBOQLWLIAHUPM-VIFPVBQESA-N -1 0 317.353 -0.054 20 0 DBADRM C[C@H](NC(=O)Cc1cnn(C)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001506594509 1019869289 /nfs/dbraw/zinc/86/92/89/1019869289.db2.gz QRTZOLRLSIVDOH-VIFPVBQESA-N -1 0 319.369 -0.577 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)Cn1cc(-c2nnn[n-]2)nn1)C(=O)OC ZINC001576610490 1019872122 /nfs/dbraw/zinc/87/21/22/1019872122.db2.gz JMNJYIVACCOOAT-GMSGAONNSA-N -1 0 322.329 -0.838 20 0 DBADRM CC[C@@H](C)C[C@@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001576642202 1019875058 /nfs/dbraw/zinc/87/50/58/1019875058.db2.gz UFUCCZGDMCGGNS-SFYZADRCSA-N -1 0 323.357 -0.125 20 0 DBADRM Cc1nnc(CC(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001506618104 1019876704 /nfs/dbraw/zinc/87/67/04/1019876704.db2.gz XSRYDNUIUXDKAS-SSDOTTSWSA-N -1 0 321.341 -0.619 20 0 DBADRM CC[C@@H](C[C@H](C)O)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001576706233 1019879801 /nfs/dbraw/zinc/87/98/01/1019879801.db2.gz RPMDNRDFAINCKI-BQBZGAKWSA-N -1 0 309.330 -0.373 20 0 DBADRM CC[C@H](C[C@H](C)O)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001576704050 1019880046 /nfs/dbraw/zinc/88/00/46/1019880046.db2.gz CUUNSBHNWFCLMJ-DTWKUNHWSA-N -1 0 323.361 -0.693 20 0 DBADRM CCNC(=O)CC(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001506738727 1019894485 /nfs/dbraw/zinc/89/44/85/1019894485.db2.gz ZMOQWODYFLEBDH-VIFPVBQESA-N -1 0 324.385 -0.637 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3C[C@H]3C)C2)c1[O-] ZINC001506815893 1019945595 /nfs/dbraw/zinc/94/55/95/1019945595.db2.gz IIAQABFRKGPSEA-FFTROKDMSA-N -1 0 322.365 -0.227 20 0 DBADRM CC[C@@H](NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C)C(=O)OC ZINC001576976719 1019971602 /nfs/dbraw/zinc/97/16/02/1019971602.db2.gz XOVRDZKJCMRDPH-MRVPVSSYSA-N -1 0 320.309 -0.043 20 0 DBADRM CC[C@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)[C@H](O)C(C)C ZINC001576976729 1019972262 /nfs/dbraw/zinc/97/22/62/1019972262.db2.gz XQLSSIYOPBGHRH-KXUCPTDWSA-N -1 0 322.373 -0.069 20 0 DBADRM CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)NC ZINC001576995150 1019973933 /nfs/dbraw/zinc/97/39/33/1019973933.db2.gz VZXYEYMRGGLEOT-LURJTMIESA-N -1 0 314.327 -0.737 20 0 DBADRM CC[C@H](OC)C(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001577002756 1019981264 /nfs/dbraw/zinc/98/12/64/1019981264.db2.gz JMDFXEIQSYMIIV-VIFPVBQESA-N -1 0 320.357 -0.626 20 0 DBADRM CC[C@H](OC)C(=O)NC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001577017400 1019985549 /nfs/dbraw/zinc/98/55/49/1019985549.db2.gz CHJVHTKSLALVTO-BDAKNGLRSA-N -1 0 320.357 -0.580 20 0 DBADRM CCCC(=O)N[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001577221384 1020034955 /nfs/dbraw/zinc/03/49/55/1020034955.db2.gz LZMOSGGMLHXLNN-BDAKNGLRSA-N -1 0 318.341 -0.878 20 0 DBADRM CCC[C@H](C)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001577278638 1020046827 /nfs/dbraw/zinc/04/68/27/1020046827.db2.gz KOPHOSZPCNGUKG-QMMMGPOBSA-N -1 0 321.341 -0.319 20 0 DBADRM CCN(CCCNC(=O)C(C)C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001577472547 1020066836 /nfs/dbraw/zinc/06/68/36/1020066836.db2.gz GOXKNCAPGQVRKH-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM CCCCN(CCCO)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001577512175 1020073338 /nfs/dbraw/zinc/07/33/38/1020073338.db2.gz HRINQSRGJXGXLX-UHFFFAOYSA-N -1 0 323.357 -0.757 20 0 DBADRM CCN(CCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C(C)=O ZINC001577599016 1020086291 /nfs/dbraw/zinc/08/62/91/1020086291.db2.gz UJZPHVOBMPGLHN-UHFFFAOYSA-N -1 0 311.342 -0.410 20 0 DBADRM Cc1nc(CN[C@H](C)CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)co1 ZINC001507096663 1020088110 /nfs/dbraw/zinc/08/81/10/1020088110.db2.gz RSBCWXOSQJGFJR-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM CCCc1ncc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)o1 ZINC001577747594 1020116355 /nfs/dbraw/zinc/11/63/55/1020116355.db2.gz JCFDZEMTDBYWFT-UHFFFAOYSA-N -1 0 317.313 -0.285 20 0 DBADRM Cc1cncc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001507183077 1020142559 /nfs/dbraw/zinc/14/25/59/1020142559.db2.gz LNPPUSOXZLYRKA-JTQLQIEISA-N -1 0 306.326 -0.906 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001578227883 1020203698 /nfs/dbraw/zinc/20/36/98/1020203698.db2.gz ZAOQGXRKDNZPSD-ZETCQYMHSA-N -1 0 304.314 -0.092 20 0 DBADRM CCN1C[C@H](C(=O)NCc2cncc(-c3nn[nH]n3)c2)CC1=O ZINC001578212369 1020205416 /nfs/dbraw/zinc/20/54/16/1020205416.db2.gz HJFRLIJMNRGALA-LLVKDONJSA-N -1 0 315.337 -0.254 20 0 DBADRM CCO[C@@H](C(=O)Nc1c[nH]nc1-c1nnn[n-]1)[C@H]1CCOC1 ZINC001578274889 1020207849 /nfs/dbraw/zinc/20/78/49/1020207849.db2.gz WIEGTMGHWIMTEZ-OIBJUYFYSA-N -1 0 307.314 -0.030 20 0 DBADRM Cc1ncccc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001507228536 1020211223 /nfs/dbraw/zinc/21/12/23/1020211223.db2.gz FPUVQPWPOLIJIV-VIFPVBQESA-N -1 0 306.326 -0.906 20 0 DBADRM CCO[C@H](CC)C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001578312676 1020212557 /nfs/dbraw/zinc/21/25/57/1020212557.db2.gz BAOMCWRHEXESIZ-SECBINFHSA-N -1 0 320.357 -0.578 20 0 DBADRM CCOCC(=O)N(C)[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001578341607 1020213962 /nfs/dbraw/zinc/21/39/62/1020213962.db2.gz YHTSRKNQKMIXNF-SECBINFHSA-N -1 0 320.357 -0.626 20 0 DBADRM CCOCC(=O)NC[C@H](C)N(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001578358124 1020218856 /nfs/dbraw/zinc/21/88/56/1020218856.db2.gz BQSRWCHFQBQBCY-VIFPVBQESA-N -1 0 320.357 -0.366 20 0 DBADRM CCOCC(=O)N[C@@H](C)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001578364093 1020221202 /nfs/dbraw/zinc/22/12/02/1020221202.db2.gz RHTLUPCLCIHRIK-QMMMGPOBSA-N -1 0 306.330 -0.390 20 0 DBADRM CCOCC(=O)N[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001578365148 1020221442 /nfs/dbraw/zinc/22/14/42/1020221442.db2.gz URZFKTAYEOUAAR-VIFPVBQESA-N -1 0 318.341 -0.612 20 0 DBADRM CCOCCC(=O)NCCN(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001578373437 1020225240 /nfs/dbraw/zinc/22/52/40/1020225240.db2.gz BTXIBOHJHGMYPC-UHFFFAOYSA-N -1 0 320.357 -0.364 20 0 DBADRM Cc1ccc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001507253809 1020247666 /nfs/dbraw/zinc/24/76/66/1020247666.db2.gz MPJLJWAQEMCXOY-NSHDSACASA-N -1 0 305.338 -0.301 20 0 DBADRM CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ccc(-c2nn[nH]n2)cc1 ZINC001578894485 1020325797 /nfs/dbraw/zinc/32/57/97/1020325797.db2.gz ZGLFAEUFSXQITG-WDEREUQCSA-N -1 0 316.321 -0.138 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(Cn2cc(-c3nnn[n-]3)nn2)o1 ZINC001578996449 1020351374 /nfs/dbraw/zinc/35/13/74/1020351374.db2.gz OBIJLFDCEINXJG-UHFFFAOYSA-N -1 0 324.326 -0.650 20 0 DBADRM CN(CC(N)=O)c1cc(-c2nn[nH]n2)c(Br)cn1 ZINC001579022418 1020353812 /nfs/dbraw/zinc/35/38/12/1020353812.db2.gz UYRAJZCICIZFKV-UHFFFAOYSA-N -1 0 312.131 -0.054 20 0 DBADRM CN(CCNC(=O)c1cn[nH]c1)c1ccc(-c2nn[nH]n2)nn1 ZINC001579201190 1020389323 /nfs/dbraw/zinc/38/93/23/1020389323.db2.gz ILEDRFXRUHVLAB-UHFFFAOYSA-N -1 0 314.313 -0.754 20 0 DBADRM CN(CCNC(=O)c1ccn[nH]1)c1ncccc1-c1nn[nH]n1 ZINC001579196159 1020390059 /nfs/dbraw/zinc/39/00/59/1020390059.db2.gz MXVPACQGOYWHKP-UHFFFAOYSA-N -1 0 313.325 -0.149 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)c1cc[nH]c1 ZINC001579215242 1020396880 /nfs/dbraw/zinc/39/68/80/1020396880.db2.gz INOAKWVLDJYKCS-UHFFFAOYSA-N -1 0 313.325 -0.409 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)c1ccc[nH]1 ZINC001579215356 1020397046 /nfs/dbraw/zinc/39/70/46/1020397046.db2.gz LVDPWWNSGRGRSH-UHFFFAOYSA-N -1 0 313.325 -0.409 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579266250 1020403749 /nfs/dbraw/zinc/40/37/49/1020403749.db2.gz FYFUDMQNMJOBLK-UHFFFAOYSA-N -1 0 319.256 -0.046 20 0 DBADRM CNC(=O)Cc1noc(Cn2c(C)c(C)nc2-c2nn[nH]n2)n1 ZINC001579397775 1020439966 /nfs/dbraw/zinc/43/99/66/1020439966.db2.gz BGJNNFBPEHJHCW-UHFFFAOYSA-N -1 0 317.313 -0.600 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)CCC1CC1 ZINC001507603034 1020445699 /nfs/dbraw/zinc/44/56/99/1020445699.db2.gz JCKUWUMNBUHVEV-NSHDSACASA-N -1 0 311.386 -0.048 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)C1(C2CC2)CC1 ZINC001507649304 1020457410 /nfs/dbraw/zinc/45/74/10/1020457410.db2.gz NMPYKMSCHCUREW-LLVKDONJSA-N -1 0 323.397 -0.048 20 0 DBADRM COC(=O)CC(C)(C)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001579445076 1020460750 /nfs/dbraw/zinc/46/07/50/1020460750.db2.gz BRJSERWCCXHDEK-UHFFFAOYSA-N -1 0 322.329 -0.836 20 0 DBADRM COC(=O)c1ccc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)n1C ZINC001579481521 1020471634 /nfs/dbraw/zinc/47/16/34/1020471634.db2.gz SFKTVQMPFBAFTB-UHFFFAOYSA-N -1 0 316.281 -0.033 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)[C@@H]1CC12CCC2 ZINC001507704697 1020472976 /nfs/dbraw/zinc/47/29/76/1020472976.db2.gz CFZJWONSQUUMNS-QWRGUYRKSA-N -1 0 323.397 -0.048 20 0 DBADRM COC(=O)c1cnc(CNc2ccnc(-c3nnn[n-]3)n2)s1 ZINC001579489308 1020475579 /nfs/dbraw/zinc/47/55/79/1020475579.db2.gz YEPBYUJVIYDJJK-UHFFFAOYSA-N -1 0 318.322 -0.066 20 0 DBADRM CO[C@@H](C)C(=O)N(C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579532151 1020481539 /nfs/dbraw/zinc/48/15/39/1020481539.db2.gz GUGZBPJDHLRSTF-QMMMGPOBSA-N -1 0 321.341 -0.582 20 0 DBADRM CO[C@@H](C)C(=O)N(C)CCNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001579532090 1020482214 /nfs/dbraw/zinc/48/22/14/1020482214.db2.gz FTNMLGRBWHUKQX-VIFPVBQESA-N -1 0 320.357 -0.130 20 0 DBADRM CO[C@H](C)C(=O)N(C)CCNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001579532089 1020482806 /nfs/dbraw/zinc/48/28/06/1020482806.db2.gz FTNMLGRBWHUKQX-SECBINFHSA-N -1 0 320.357 -0.130 20 0 DBADRM CO[C@H](C(=O)Nc1n[nH]cc1-c1nn[nH]n1)C(=O)OC(C)(C)C ZINC001579531287 1020483037 /nfs/dbraw/zinc/48/30/37/1020483037.db2.gz VUQQYWJRSMKIEQ-SSDOTTSWSA-N -1 0 323.313 -0.115 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579538697 1020485003 /nfs/dbraw/zinc/48/50/03/1020485003.db2.gz BTNZPNQRXJXXRE-SFYZADRCSA-N -1 0 321.341 -0.536 20 0 DBADRM CO[C@H](C)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001579540953 1020487956 /nfs/dbraw/zinc/48/79/56/1020487956.db2.gz YTRGERSXHJHPIU-SECBINFHSA-N -1 0 318.341 -0.660 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H](C)CN(C)c1cncc(-c2nn[nH]n2)n1 ZINC001579539342 1020488087 /nfs/dbraw/zinc/48/80/87/1020488087.db2.gz IDJNFRXQEBCGEB-DTWKUNHWSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579544589 1020492140 /nfs/dbraw/zinc/49/21/40/1020492140.db2.gz JQSRFECWZNCOKK-RKDXNWHRSA-N -1 0 318.341 -0.614 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579544588 1020493640 /nfs/dbraw/zinc/49/36/40/1020493640.db2.gz JQSRFECWZNCOKK-IUCAKERBSA-N -1 0 318.341 -0.614 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001579561844 1020495908 /nfs/dbraw/zinc/49/59/08/1020495908.db2.gz KJBTTWMGPWXFDO-IUCAKERBSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@H](C)CC(=O)NCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579566246 1020498016 /nfs/dbraw/zinc/49/80/16/1020498016.db2.gz IAKRIGPDZSLGBH-MRVPVSSYSA-N -1 0 321.341 -0.534 20 0 DBADRM COCC(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579623213 1020505013 /nfs/dbraw/zinc/50/50/13/1020505013.db2.gz GQXPLXFVKLCPLK-SCZZXKLOSA-N -1 0 318.341 -0.438 20 0 DBADRM COCC(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001579623778 1020505080 /nfs/dbraw/zinc/50/50/80/1020505080.db2.gz LGBALPKXWXXDGT-SCZZXKLOSA-N -1 0 318.341 -0.438 20 0 DBADRM COCC(=O)N(C)C[C@H](O)CNc1ncccc1-c1nn[nH]n1 ZINC001579623406 1020505134 /nfs/dbraw/zinc/50/51/34/1020505134.db2.gz MPIGTJDGGBUQGX-SECBINFHSA-N -1 0 321.341 -0.861 20 0 DBADRM COCC(=O)N1C[C@@H](Nc2cnc(-c3nn[nH]n3)cn2)C[C@H]1C ZINC001579622820 1020507639 /nfs/dbraw/zinc/50/76/39/1020507639.db2.gz AJAYQIHMLIHCHC-BDAKNGLRSA-N -1 0 318.341 -0.296 20 0 DBADRM COCC(=O)N1CCCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001579629756 1020509987 /nfs/dbraw/zinc/50/99/87/1020509987.db2.gz QTYLQXAYDDPROS-UHFFFAOYSA-N -1 0 318.341 -0.658 20 0 DBADRM COCC(=O)NC[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)C1CC1 ZINC001579637272 1020522819 /nfs/dbraw/zinc/52/28/19/1020522819.db2.gz LIBOJMBZZCMCTL-SECBINFHSA-N -1 0 318.341 -0.968 20 0 DBADRM COC[C@@H](CNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C)OC ZINC001579697911 1020535700 /nfs/dbraw/zinc/53/57/00/1020535700.db2.gz UNSMAGRGISWZLI-MRVPVSSYSA-N -1 0 322.325 -0.333 20 0 DBADRM COC[C@@H](O)CCNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579699533 1020536961 /nfs/dbraw/zinc/53/69/61/1020536961.db2.gz KRECTPOCCFLETR-QMMMGPOBSA-N -1 0 322.325 -0.597 20 0 DBADRM COCCN1C[C@@H](C(=O)Nc2c[nH]nc2-c2nnn[n-]2)CC1=O ZINC001579813737 1020561196 /nfs/dbraw/zinc/56/11/96/1020561196.db2.gz JUAOFJBCVDQDGP-ZETCQYMHSA-N -1 0 320.313 -0.977 20 0 DBADRM COCc1ncc(CNc2ccnc(-c3nnn[n-]3)n2)c(N)n1 ZINC001579841437 1020569342 /nfs/dbraw/zinc/56/93/42/1020569342.db2.gz WCTUDNMFCYPLBZ-UHFFFAOYSA-N -1 0 314.313 -0.791 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)/C=C/C1CC1 ZINC001579831480 1020569642 /nfs/dbraw/zinc/56/96/42/1020569642.db2.gz UHRVEDWLAMTRDB-SMMXGFFBSA-N -1 0 307.310 -0.517 20 0 DBADRM O=C(CC1CC1)NCC1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001508397952 1020584900 /nfs/dbraw/zinc/58/49/00/1020584900.db2.gz CXKJNPAUIUFRAG-UHFFFAOYSA-N -1 0 321.337 -0.293 20 0 DBADRM COc1cccnc1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001580086407 1020645262 /nfs/dbraw/zinc/64/52/62/1020645262.db2.gz GSQAKIHZLWTGLJ-UHFFFAOYSA-N -1 0 315.297 -0.822 20 0 DBADRM CC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001508714782 1020652706 /nfs/dbraw/zinc/65/27/06/1020652706.db2.gz SBKAIQSSIUTODF-SSDOTTSWSA-N -1 0 311.342 -0.863 20 0 DBADRM CS(=O)(=O)c1ncnn1Cc1cccc(-c2nn[nH]n2)c1 ZINC001580172015 1020661452 /nfs/dbraw/zinc/66/14/52/1020661452.db2.gz HNFIPTFSPFEODF-UHFFFAOYSA-N -1 0 305.323 -0.090 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CC12CC2 ZINC001580290620 1020682386 /nfs/dbraw/zinc/68/23/86/1020682386.db2.gz NHBXQCGZAHWINS-DTWKUNHWSA-N -1 0 314.353 -0.205 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1ccn[nH]1 ZINC001580289975 1020682751 /nfs/dbraw/zinc/68/27/51/1020682751.db2.gz AFAYLQVOOLMVTD-ZETCQYMHSA-N -1 0 314.313 -0.968 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CC12CC2 ZINC001580290621 1020684083 /nfs/dbraw/zinc/68/40/83/1020684083.db2.gz NHBXQCGZAHWINS-IUCAKERBSA-N -1 0 314.353 -0.205 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@H](C)CCO1 ZINC001580328011 1020692865 /nfs/dbraw/zinc/69/28/65/1020692865.db2.gz QSTRGIUJBDQUNR-RKDXNWHRSA-N -1 0 306.330 -0.516 20 0 DBADRM C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1cnccn1 ZINC001580435107 1020714205 /nfs/dbraw/zinc/71/42/05/1020714205.db2.gz FNIYIQVNUZJSGB-ZETCQYMHSA-N -1 0 300.286 -0.874 20 0 DBADRM CC[C@H](F)C(=O)N(C)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001508996557 1020716431 /nfs/dbraw/zinc/71/64/31/1020716431.db2.gz WEYSVZGIKKOPMT-SFYZADRCSA-N -1 0 317.321 -0.600 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1C[C@@H]2C[C@]2(CO)C1 ZINC001580597761 1020759299 /nfs/dbraw/zinc/75/92/99/1020759299.db2.gz MEGYJSXPEPYGMJ-RMLUDKJBSA-N -1 0 316.321 -0.270 20 0 DBADRM C[C@@H](NC(=O)CC1CC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001509363561 1020779087 /nfs/dbraw/zinc/77/90/87/1020779087.db2.gz ADGIMFNMLCLMQG-MRVPVSSYSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)c(N2CC[C@H](CS(N)(=O)=O)C2)n1 ZINC001581069986 1020823193 /nfs/dbraw/zinc/82/31/93/1020823193.db2.gz LXUIRRJLBDBBEX-VIFPVBQESA-N -1 0 323.382 -0.315 20 0 DBADRM CC(=O)N[C@@H](C)CCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001509941131 1020824693 /nfs/dbraw/zinc/82/46/93/1020824693.db2.gz PSDWVEMVWVCVLO-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]c2nnn(C)n2)c(-c2nn[nH]n2)c1 ZINC001581213096 1020828322 /nfs/dbraw/zinc/82/83/22/1020828322.db2.gz AANKGJBVBHJNAB-UHFFFAOYSA-N -1 0 321.326 -0.501 20 0 DBADRM Cc1nc(-c2nn[nH]n2)cc(N2CCC(S(N)(=O)=O)CC2)n1 ZINC001581411407 1020833034 /nfs/dbraw/zinc/83/30/34/1020833034.db2.gz YZFHDYZUMNPSKN-UHFFFAOYSA-N -1 0 324.370 -0.778 20 0 DBADRM Cc1[nH]nc(NC(=O)c2cccnc2C(N)=O)c1-c1nn[nH]n1 ZINC001581402709 1020833195 /nfs/dbraw/zinc/83/31/95/1020833195.db2.gz GMTCULJLJIGPFA-UHFFFAOYSA-N -1 0 313.281 -0.356 20 0 DBADRM Cc1nc(-c2nn[nH]n2)cc(N2CCOC[C@@H]2CC(N)=O)n1 ZINC001581411119 1020833936 /nfs/dbraw/zinc/83/39/36/1020833936.db2.gz LFFUTXIYTXRQOQ-QMMMGPOBSA-N -1 0 304.314 -0.954 20 0 DBADRM CC(=O)N(C)CCOCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001510197858 1020836916 /nfs/dbraw/zinc/83/69/16/1020836916.db2.gz RYRUUYNWTBYGHK-UHFFFAOYSA-N -1 0 321.337 -0.753 20 0 DBADRM Cc1nn(C)c(NC(=O)[C@@H](C)S(C)(=O)=O)c1-c1nn[nH]n1 ZINC001581593459 1020838876 /nfs/dbraw/zinc/83/88/76/1020838876.db2.gz DOYYWHAGAPEKTK-ZCFIWIBFSA-N -1 0 313.343 -0.720 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)Nc1n[nH]cc1-c1nn[nH]n1 ZINC001581591050 1020839419 /nfs/dbraw/zinc/83/94/19/1020839419.db2.gz YNYARBIVIJISAT-UHFFFAOYSA-N -1 0 317.313 -0.042 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)Cn2cnc(-c3nnn[n-]3)n2)s1 ZINC001581606537 1020840584 /nfs/dbraw/zinc/84/05/84/1020840584.db2.gz RBVPJXLMKXJQSU-YFKPBYRVSA-N -1 0 320.342 -0.504 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@@H](CO)CC2CC2)c(-c2nnn[n-]2)c1=O ZINC001581747524 1020842683 /nfs/dbraw/zinc/84/26/83/1020842683.db2.gz CSLVPDBJEOSHKW-QMMMGPOBSA-N -1 0 321.341 -0.514 20 0 DBADRM Cc1oc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)cc1CO ZINC001581729190 1020843415 /nfs/dbraw/zinc/84/34/15/1020843415.db2.gz PCCHDVQQKFBPIH-UHFFFAOYSA-N -1 0 318.297 -0.718 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@@H]2CCCC[C@H]2O)c(-c2nnn[n-]2)c1=O ZINC001581747250 1020843691 /nfs/dbraw/zinc/84/36/91/1020843691.db2.gz FCONVARPLDYWOV-JGVFFNPUSA-N -1 0 321.341 -0.371 20 0 DBADRM Cn1c(=O)[nH]c(NCCC2(CO)CCC2)c(-c2nnn[n-]2)c1=O ZINC001581747843 1020844432 /nfs/dbraw/zinc/84/44/32/1020844432.db2.gz YTXXUXKDWOEBRQ-UHFFFAOYSA-N -1 0 321.341 -0.369 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001581752414 1020844464 /nfs/dbraw/zinc/84/44/64/1020844464.db2.gz DYURNHUWIPWVMR-UHFFFAOYSA-N -1 0 316.281 -0.664 20 0 DBADRM Cn1c(=O)[nH]c(NCCc2ccccn2)c(-c2nnn[n-]2)c1=O ZINC001581747637 1020844887 /nfs/dbraw/zinc/84/48/87/1020844887.db2.gz SDYSHNHFOSUORN-UHFFFAOYSA-N -1 0 314.309 -0.284 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2CCC[C@@H]3C[C@@H]32)n(C)c1=O ZINC001581753339 1020845590 /nfs/dbraw/zinc/84/55/90/1020845590.db2.gz YOQNEHSHUJXNKE-VGMNWLOBSA-N -1 0 317.353 -0.135 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@]23C[C@H]2CCC3)n(C)c1=O ZINC001581753007 1020846398 /nfs/dbraw/zinc/84/63/98/1020846398.db2.gz JADJDLRNOAZBQZ-CLAHSXSESA-N -1 0 317.353 -0.134 20 0 DBADRM Cn1cnc(CCNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)c1 ZINC001581807931 1020848190 /nfs/dbraw/zinc/84/81/90/1020848190.db2.gz BJSREEMJBISOEV-UHFFFAOYSA-N -1 0 317.313 -0.946 20 0 DBADRM O=C(C[C@H]1C=CS(=O)(=O)C1)Nc1ccncc1-c1nn[nH]n1 ZINC001581965162 1020863734 /nfs/dbraw/zinc/86/37/34/1020863734.db2.gz LOJJSIBVBCXETA-MRVPVSSYSA-N -1 0 320.334 -0.430 20 0 DBADRM O=C(CC1CCC1)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001581978491 1020865782 /nfs/dbraw/zinc/86/57/82/1020865782.db2.gz VKGWHRMIPCWZMX-UHFFFAOYSA-N -1 0 319.325 -0.565 20 0 DBADRM O=C(CCc1nnn[n-]1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001582080230 1020874477 /nfs/dbraw/zinc/87/44/77/1020874477.db2.gz XKCOYWFADWGNME-UHFFFAOYSA-N -1 0 317.288 -0.232 20 0 DBADRM O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NCCC1CC1 ZINC001582083323 1020874495 /nfs/dbraw/zinc/87/44/95/1020874495.db2.gz FTHIUEZCOFRHFJ-UHFFFAOYSA-N -1 0 319.325 -0.565 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)nn1)NC(=O)NC1CCCCC1 ZINC001582187981 1020883858 /nfs/dbraw/zinc/88/38/58/1020883858.db2.gz BHQRDAQNXKEEPK-UHFFFAOYSA-N -1 0 319.329 -0.383 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC001582185199 1020884214 /nfs/dbraw/zinc/88/42/14/1020884214.db2.gz FRBSPHAGYPBGJE-UHFFFAOYSA-N -1 0 316.281 -0.814 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCCn2nccc21 ZINC001582198328 1020884935 /nfs/dbraw/zinc/88/49/35/1020884935.db2.gz VULOOKQVDYIVPS-QMMMGPOBSA-N -1 0 314.313 -0.694 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCCn2nccc21 ZINC001582198327 1020885198 /nfs/dbraw/zinc/88/51/98/1020885198.db2.gz VULOOKQVDYIVPS-MRVPVSSYSA-N -1 0 314.313 -0.694 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1nc2c(o1)CCCC2 ZINC001582199441 1020885475 /nfs/dbraw/zinc/88/54/75/1020885475.db2.gz KFLZTRUFAREFHB-UHFFFAOYSA-N -1 0 315.297 -0.036 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001582198162 1020885543 /nfs/dbraw/zinc/88/55/43/1020885543.db2.gz OFNPLRCXIWEEPG-KXUCPTDWSA-N -1 0 318.341 -0.922 20 0 DBADRM O=C(N[C@H](CNc1ccnc(-c2nnn[n-]2)n1)C1CC1)C1CC1 ZINC001582224910 1020887146 /nfs/dbraw/zinc/88/71/46/1020887146.db2.gz RVAYAIMJTYGJKL-SNVBAGLBSA-N -1 0 314.353 -0.205 20 0 DBADRM O=C(NC1CC(CNc2ccnc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001582257903 1020889147 /nfs/dbraw/zinc/88/91/47/1020889147.db2.gz BRJYXNHAEBMRLE-UHFFFAOYSA-N -1 0 314.353 -0.205 20 0 DBADRM O=C(NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CC1)C1CCC1 ZINC001582394812 1020895455 /nfs/dbraw/zinc/89/54/55/1020895455.db2.gz ANIFWZVZSAFIMS-UHFFFAOYSA-N -1 0 314.353 -0.061 20 0 DBADRM O=C(NCCN1CCNC1=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001582518847 1020900707 /nfs/dbraw/zinc/90/07/07/1020900707.db2.gz IFFBINPBICNGHF-UHFFFAOYSA-N -1 0 317.309 -0.673 20 0 DBADRM O=C(NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C1CCC1 ZINC001582527369 1020903833 /nfs/dbraw/zinc/90/38/33/1020903833.db2.gz BRCCDMWIXRAJMV-UHFFFAOYSA-N -1 0 305.298 -0.955 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1c(F)cncc1F ZINC001582529029 1020905257 /nfs/dbraw/zinc/90/52/57/1020905257.db2.gz YRHZYKLTIZOYKK-UHFFFAOYSA-N -1 0 321.251 -0.439 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cc(F)c(-c2nn[nH]n2)c(F)c1 ZINC001582558312 1020909212 /nfs/dbraw/zinc/90/92/12/1020909212.db2.gz RLPONIUGZDKNFF-UHFFFAOYSA-N -1 0 322.235 -0.101 20 0 DBADRM O=C(Nn1ccc(=O)[nH]c1=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001582654272 1020916119 /nfs/dbraw/zinc/91/61/19/1020916119.db2.gz BZKTWCOLPLFJNW-UHFFFAOYSA-N -1 0 315.249 -0.782 20 0 DBADRM O=C(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1C[C@@H](O)[C@H](CO)C1 ZINC001582702691 1020919301 /nfs/dbraw/zinc/91/93/01/1020919301.db2.gz KWDGAMAOMCPHRM-GZMMTYOYSA-N -1 0 323.740 -0.055 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001582790773 1020923011 /nfs/dbraw/zinc/92/30/11/1020923011.db2.gz NMHRFMIAFBNQIG-WPRPVWTQSA-N -1 0 315.289 -0.183 20 0 DBADRM O=S(=O)(N[C@@H]1CCC[C@@H]1CO)c1ccc(-c2nnn[n-]2)o1 ZINC001582798128 1020925117 /nfs/dbraw/zinc/92/51/17/1020925117.db2.gz UPMQIJWFMSCHQZ-HTQZYQBOSA-N -1 0 313.339 -0.101 20 0 DBADRM OC[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@H](O)C1CCCCC1 ZINC001582813304 1020926889 /nfs/dbraw/zinc/92/68/89/1020926889.db2.gz ZWZGTVMFYRFZQM-ZYHUDNBSSA-N -1 0 319.369 -0.207 20 0 DBADRM CCCOCC(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001582991369 1020954218 /nfs/dbraw/zinc/95/42/18/1020954218.db2.gz TVYPGHOTTKOTKY-SECBINFHSA-N -1 0 314.342 -0.943 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NC/C=C\CNC(=O)C1CC1 ZINC001583013832 1020962802 /nfs/dbraw/zinc/96/28/02/1020962802.db2.gz VBXCRRZCJQHYDO-UPHRSURJSA-N -1 0 321.337 -0.586 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2cnn(C)c2)c1[O-] ZINC001583041269 1020967168 /nfs/dbraw/zinc/96/71/68/1020967168.db2.gz UJMGJXIEVZGBGS-ARJAWSKDSA-N -1 0 318.337 -0.127 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001583528332 1020997774 /nfs/dbraw/zinc/99/77/74/1020997774.db2.gz YWUJTZIVJARNEH-UHFFFAOYSA-N -1 0 300.278 -0.462 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cc1nnc(C2CCOCC2)[nH]1 ZINC001583605235 1020999975 /nfs/dbraw/zinc/99/99/75/1020999975.db2.gz AANLGUQXORCQSF-UHFFFAOYSA-N -1 0 311.342 -0.575 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CC=CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001583854162 1021005713 /nfs/dbraw/zinc/00/57/13/1021005713.db2.gz VFPWCRJPLSUPQL-RKDXNWHRSA-N -1 0 321.337 -0.126 20 0 DBADRM CC(=O)NCC(=O)N1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C[C@H]1C ZINC001511212717 1021030580 /nfs/dbraw/zinc/03/05/80/1021030580.db2.gz BQTGMFURTGFHCL-GMSGAONNSA-N -1 0 323.353 -0.721 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCOC[C@H]1CCOC1 ZINC001585066761 1021044462 /nfs/dbraw/zinc/04/44/62/1021044462.db2.gz VGTOXBCSOSEGNJ-QMMMGPOBSA-N -1 0 302.356 -0.228 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2cccc3c2NC(=O)CO3)C(=O)N1C ZINC001585138660 1021046199 /nfs/dbraw/zinc/04/61/99/1021046199.db2.gz SKLSZIINODSOSK-SSDOTTSWSA-N -1 0 318.289 -0.055 20 0 DBADRM CC(=CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1)c1cnccn1 ZINC001585183082 1021049416 /nfs/dbraw/zinc/04/94/16/1021049416.db2.gz FXGCCWUIXZEVAD-DHHDDZJSSA-N -1 0 301.310 -0.007 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CC[C@H](NC(=O)C2CC2)C1 ZINC001511448253 1021049913 /nfs/dbraw/zinc/04/99/13/1021049913.db2.gz MCLFFMKIGPEYDK-SCZZXKLOSA-N -1 0 323.353 -0.500 20 0 DBADRM O=C(NCc1nnc2ccc(Cl)cn21)c1n[nH]c(=O)[n-]c1=O ZINC001585243943 1021051160 /nfs/dbraw/zinc/05/11/60/1021051160.db2.gz ZYPVLKWHJNTCLT-UHFFFAOYSA-N -1 0 321.684 -0.091 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC001585638515 1021060472 /nfs/dbraw/zinc/06/04/72/1021060472.db2.gz LZCMHBBHXFUYFK-UHFFFAOYSA-N -1 0 305.290 -0.253 20 0 DBADRM Cc1nn(CC(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)c(=O)o1 ZINC001586105376 1021072020 /nfs/dbraw/zinc/07/20/20/1021072020.db2.gz NENMSPDZWBJDHF-LLVKDONJSA-N -1 0 315.293 -0.436 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNC(=O)c2ccco2)c1[O-] ZINC001511511788 1021075081 /nfs/dbraw/zinc/07/50/81/1021075081.db2.gz BLKKATQANGJCLZ-VIFPVBQESA-N -1 0 322.321 -0.120 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001588217278 1021086753 /nfs/dbraw/zinc/08/67/53/1021086753.db2.gz DZGQGRJVAIUTDG-VIFPVBQESA-N -1 0 306.326 -0.555 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001588316773 1021088754 /nfs/dbraw/zinc/08/87/54/1021088754.db2.gz DZSGVKOTJBFXJN-UHFFFAOYSA-N -1 0 316.277 -0.600 20 0 DBADRM CCC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001511578638 1021097038 /nfs/dbraw/zinc/09/70/38/1021097038.db2.gz MKYYGCADBVGKPI-MRVPVSSYSA-N -1 0 322.321 -0.113 20 0 DBADRM CC(=O)CCCc1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1 ZINC001588486561 1021104602 /nfs/dbraw/zinc/10/46/02/1021104602.db2.gz AUNPRYIMTIJRSY-UHFFFAOYSA-N -1 0 322.277 -0.005 20 0 DBADRM CC(=O)N1CCC(NC(=O)CN(CC(=O)[O-])CC2CC2)CC1 ZINC001588494672 1021106210 /nfs/dbraw/zinc/10/62/10/1021106210.db2.gz NINSDSCVXVNICM-UHFFFAOYSA-N -1 0 311.382 -0.090 20 0 DBADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccon1)[C@@H](C)C(=O)[O-] ZINC001588502121 1021106816 /nfs/dbraw/zinc/10/68/16/1021106816.db2.gz OOIDLKYUVUZPBA-ZETCQYMHSA-N -1 0 312.282 -0.949 20 0 DBADRM CC(=O)N1C[C@@H]2CN(C(=O)C3(C(=O)[O-])CCOCC3)C[C@@H]2C1 ZINC001588498207 1021107163 /nfs/dbraw/zinc/10/71/63/1021107163.db2.gz CWLIJQUNDHCFDO-TXEJJXNPSA-N -1 0 310.350 -0.196 20 0 DBADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccnc1)[C@@H](C)C(=O)[O-] ZINC001588501707 1021107458 /nfs/dbraw/zinc/10/74/58/1021107458.db2.gz HUXVKDBTFZWACV-VIFPVBQESA-N -1 0 322.321 -0.542 20 0 DBADRM CC(=O)N1CCC[C@@H](Cn2nnnc2N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001588494115 1021107634 /nfs/dbraw/zinc/10/76/34/1021107634.db2.gz HANGAUWBLRYXTB-VXGBXAGGSA-N -1 0 322.369 -0.158 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001588494168 1021107694 /nfs/dbraw/zinc/10/76/94/1021107694.db2.gz JIKBWPWDQLJYSP-QWRGUYRKSA-N -1 0 312.322 -0.526 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCCN(C)C1=O)[C@@H](C)C(=O)[O-] ZINC001588506391 1021108319 /nfs/dbraw/zinc/10/83/19/1021108319.db2.gz HMQZQLWNADQZHY-ONGXEEELSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)OCc1cccc(C(=O)[O-])c1 ZINC001588502457 1021109085 /nfs/dbraw/zinc/10/90/85/1021109085.db2.gz TYYPIDBDDUISMP-UHFFFAOYSA-N -1 0 308.290 -0.320 20 0 DBADRM CC(=O)NC1(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)CCCC1 ZINC001588502913 1021109141 /nfs/dbraw/zinc/10/91/41/1021109141.db2.gz GJSZKNIVAAFGGU-SNVBAGLBSA-N -1 0 312.322 -0.336 20 0 DBADRM CC(=O)NCC[C@H]1CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001588502300 1021109181 /nfs/dbraw/zinc/10/91/81/1021109181.db2.gz QIJDDXAADORDLY-GFCCVEGCSA-N -1 0 320.411 -0.276 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccnc(CO)c1)[C@H](C)C(=O)[O-] ZINC001588508306 1021109355 /nfs/dbraw/zinc/10/93/55/1021109355.db2.gz IBURHWDROXTMIL-SECBINFHSA-N -1 0 309.322 -0.375 20 0 DBADRM CC(=O)NCCN(C(=O)c1cc2n(n1)CCC2)[C@H](C)C(=O)[O-] ZINC001588508182 1021109412 /nfs/dbraw/zinc/10/94/12/1021109412.db2.gz DMDXNNPJOVEXGL-SECBINFHSA-N -1 0 308.338 -0.119 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1cnn(C)n1)[C@@H](C)C(=O)[O-] ZINC001588506089 1021109533 /nfs/dbraw/zinc/10/95/33/1021109533.db2.gz CHCIGVJOLSBHRL-VIFPVBQESA-N -1 0 311.342 -0.815 20 0 DBADRM C[C@H](C(=O)N(CC(=O)[O-])C1CCOCC1)N1CCN(C)CC1 ZINC001588544939 1021113012 /nfs/dbraw/zinc/11/30/12/1021113012.db2.gz CFIOKZLVTOZUKA-GFCCVEGCSA-N -1 0 313.398 -0.286 20 0 DBADRM CC(=O)c1cn(CC(=O)NC2(CC(=O)[O-])CCOCC2)nn1 ZINC001588534265 1021113130 /nfs/dbraw/zinc/11/31/30/1021113130.db2.gz UGEBHNDUHXYHGJ-UHFFFAOYSA-N -1 0 310.310 -0.379 20 0 DBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)[O-])cc1 ZINC001588532165 1021113281 /nfs/dbraw/zinc/11/32/81/1021113281.db2.gz YSVWRXKVWKPTSC-UHFFFAOYSA-N -1 0 315.303 -0.205 20 0 DBADRM CC(=O)c1cccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001588534766 1021113969 /nfs/dbraw/zinc/11/39/69/1021113969.db2.gz SYZGDALDYJVEEG-AWEZNQCLSA-N -1 0 308.290 -0.221 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])c1ccccn1 ZINC001588550968 1021115244 /nfs/dbraw/zinc/11/52/44/1021115244.db2.gz KBXBHKLHCVSNAT-MWLCHTKSSA-N -1 0 312.347 -0.105 20 0 DBADRM C[C@H](C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[C@@H](C)S(C)(=O)=O ZINC001588551008 1021115404 /nfs/dbraw/zinc/11/54/04/1021115404.db2.gz MNCNJUKOOXPJOG-WJZNIJOASA-N -1 0 319.379 -0.385 20 0 DBADRM C[C@@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1CCOCC1 ZINC001588558142 1021115510 /nfs/dbraw/zinc/11/55/10/1021115510.db2.gz SHAWIFHYLVRFGP-LPEHRKFASA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)S(C)(=O)=O ZINC001588554782 1021115775 /nfs/dbraw/zinc/11/57/75/1021115775.db2.gz VSGOBMPZLCOSOP-IUCAKERBSA-N -1 0 320.367 -0.999 20 0 DBADRM C[C@@H](C(=O)[O-])N(C1CC1)S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001588590878 1021116924 /nfs/dbraw/zinc/11/69/24/1021116924.db2.gz BBMONZFATVOUOE-ONGXEEELSA-N -1 0 306.384 -0.416 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC001588564777 1021116955 /nfs/dbraw/zinc/11/69/55/1021116955.db2.gz CDNLLRRWKQXERY-SECBINFHSA-N -1 0 306.322 -0.450 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC001588575332 1021117979 /nfs/dbraw/zinc/11/79/79/1021117979.db2.gz LMWJXDJIPBDUCB-QMMMGPOBSA-N -1 0 307.306 -0.097 20 0 DBADRM C[C@@H](C(=O)OCC(=O)C(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC001588607629 1021120077 /nfs/dbraw/zinc/12/00/77/1021120077.db2.gz WGTHZHUDCHIXPV-ZETCQYMHSA-N -1 0 312.278 -0.564 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O ZINC001588618704 1021120394 /nfs/dbraw/zinc/12/03/94/1021120394.db2.gz UOEMRJXXNONVEA-QMMMGPOBSA-N -1 0 300.311 -0.493 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCCc1nnc2c(=O)[nH]ccn12 ZINC001588633710 1021120950 /nfs/dbraw/zinc/12/09/50/1021120950.db2.gz AJGXZBOBRHLACQ-VIFPVBQESA-N -1 0 321.337 -0.177 20 0 DBADRM CC(C)(C)C(=O)N1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001588627770 1021121529 /nfs/dbraw/zinc/12/15/29/1021121529.db2.gz ANNLUGBCGQRWNV-UHFFFAOYSA-N -1 0 320.411 -0.324 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCCc1nnc2n1CCNC2=O ZINC001588634850 1021121584 /nfs/dbraw/zinc/12/15/84/1021121584.db2.gz SBUSHEMBHYKUQS-SECBINFHSA-N -1 0 323.353 -0.573 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N[C@@H]2CCC(=O)NC2=O)n1 ZINC001588622810 1021122040 /nfs/dbraw/zinc/12/20/40/1021122040.db2.gz DQFOYNWKQYAERI-SSDOTTSWSA-N -1 0 323.309 -0.371 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(CNC(=O)CCC(=O)[O-])C1 ZINC001588675772 1021125391 /nfs/dbraw/zinc/12/53/91/1021125391.db2.gz BDQSJEIVHZIHGD-UHFFFAOYSA-N -1 0 302.327 -0.051 20 0 DBADRM CC(C)(C)OC(=O)C(=O)N[C@H](CNC(=O)C(=O)[O-])C1CC1 ZINC001588670184 1021125947 /nfs/dbraw/zinc/12/59/47/1021125947.db2.gz QBGGTOHCMMZWQJ-MRVPVSSYSA-N -1 0 300.311 -0.576 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001588670613 1021126565 /nfs/dbraw/zinc/12/65/65/1021126565.db2.gz GSQBDVIKFLFHQC-SECBINFHSA-N -1 0 303.311 -0.343 20 0 DBADRM CC(C)(C)OC(=O)C1CN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001588669450 1021126986 /nfs/dbraw/zinc/12/69/86/1021126986.db2.gz XSKNUOQZQDHIMV-UHFFFAOYSA-N -1 0 307.368 -0.241 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001588716636 1021128350 /nfs/dbraw/zinc/12/83/50/1021128350.db2.gz SVVUZLLNSNNQJG-ISVAXAHUSA-N -1 0 318.326 -0.768 20 0 DBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001588733138 1021128517 /nfs/dbraw/zinc/12/85/17/1021128517.db2.gz LCCJCIXKNCAYPD-CQSZACIVSA-N -1 0 318.370 -0.352 20 0 DBADRM C=C/C=C/CC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001588719959 1021128836 /nfs/dbraw/zinc/12/88/36/1021128836.db2.gz IEVCIMZMRLRKBS-OHINUGQQSA-N -1 0 307.306 -0.275 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001588725410 1021129278 /nfs/dbraw/zinc/12/92/78/1021129278.db2.gz NINFQVYPRCFHLX-HHURGBBESA-N -1 0 302.327 -0.149 20 0 DBADRM CC(C)(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)CS(N)(=O)=O ZINC001588779526 1021130506 /nfs/dbraw/zinc/13/05/06/1021130506.db2.gz NOFUPENAVYKZEG-VIFPVBQESA-N -1 0 321.399 -0.193 20 0 DBADRM CC(C)(CCS(C)(=O)=O)NC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001588778357 1021130606 /nfs/dbraw/zinc/13/06/06/1021130606.db2.gz NUMOVMUZDZPVER-MRVPVSSYSA-N -1 0 306.340 -0.455 20 0 DBADRM CC(C)(C)[S@](=O)CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001588738957 1021131062 /nfs/dbraw/zinc/13/10/62/1021131062.db2.gz SVJDJUFTLIWSSR-AOUSDQRYSA-N -1 0 318.395 -0.417 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@@H](C(=O)[O-])C1)CS(N)(=O)=O ZINC001588779190 1021131252 /nfs/dbraw/zinc/13/12/52/1021131252.db2.gz LBDUGEWRYJRKBZ-MRVPVSSYSA-N -1 0 307.372 -0.583 20 0 DBADRM CC(C)(CNS(C)(=O)=O)NC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001588783912 1021131261 /nfs/dbraw/zinc/13/12/61/1021131261.db2.gz XRAGIESRVVJQJK-UHFFFAOYSA-N -1 0 304.328 -0.835 20 0 DBADRM CC(C)(CCNC(=O)C1(CS(C)(=O)=O)COC1)C(=O)[O-] ZINC001588767805 1021131461 /nfs/dbraw/zinc/13/14/61/1021131461.db2.gz ZAVUCZFKTKMIDL-UHFFFAOYSA-N -1 0 307.368 -0.335 20 0 DBADRM CC(C)(NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1ncon1 ZINC001588786748 1021132132 /nfs/dbraw/zinc/13/21/32/1021132132.db2.gz LGXCRYRFWXLNJM-QMMMGPOBSA-N -1 0 310.310 -0.256 20 0 DBADRM CC(=O)CCCCCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001588792206 1021132733 /nfs/dbraw/zinc/13/27/33/1021132733.db2.gz YSPVCEFEILLZSR-UHFFFAOYSA-N -1 0 306.330 -0.276 20 0 DBADRM CC(C)(O)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001588796202 1021132761 /nfs/dbraw/zinc/13/27/61/1021132761.db2.gz WJGHPSWQSFVOGP-VWYCJHECSA-N -1 0 312.366 -0.025 20 0 DBADRM CC(=O)Cn1cc(CN2CCOCC2)cc(-c2nnn[n-]2)c1=O ZINC001588796929 1021132837 /nfs/dbraw/zinc/13/28/37/1021132837.db2.gz LVGOZXCNHUOBEC-UHFFFAOYSA-N -1 0 318.337 -0.550 20 0 DBADRM CC(C)(O)[C@@H]1CCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001588795473 1021132886 /nfs/dbraw/zinc/13/28/86/1021132886.db2.gz AMVLRYQBPDLYRE-LLVKDONJSA-N -1 0 318.370 -0.093 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CCC(S(N)(=O)=O)CC1)C(=O)[O-] ZINC001588822574 1021136314 /nfs/dbraw/zinc/13/63/14/1021136314.db2.gz JHIKQRSRDVOTRB-JTQLQIEISA-N -1 0 321.399 -0.194 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@@H]1CC(C(=O)[O-])=NO1)N1CCOCC1 ZINC001588816657 1021136477 /nfs/dbraw/zinc/13/64/77/1021136477.db2.gz JXVPUZQTQMCOIH-RYUDHWBXSA-N -1 0 313.354 -0.311 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CC[C@@H](CS(N)(=O)=O)C1)C(=O)[O-] ZINC001588823464 1021136935 /nfs/dbraw/zinc/13/69/35/1021136935.db2.gz XICZNKPWEWLUCZ-ZJUUUORDSA-N -1 0 321.399 -0.337 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H]1CO)C(=O)[O-] ZINC001588815436 1021137268 /nfs/dbraw/zinc/13/72/68/1021137268.db2.gz PTURILCIPNBHTE-GARJFASQSA-N -1 0 300.355 -0.311 20 0 DBADRM CC(C)[C@@H](CNC(=O)NC[C@]1(O)CCS(=O)(=O)C1)C(=O)[O-] ZINC001588824804 1021138987 /nfs/dbraw/zinc/13/89/87/1021138987.db2.gz DXVDMXBZJRLVTE-BXKDBHETSA-N -1 0 322.383 -0.808 20 0 DBADRM CC(C)[C@]1(C)CC(=O)N(CCS(=O)(=O)CC(=O)[O-])C1=O ZINC001588839681 1021139713 /nfs/dbraw/zinc/13/97/13/1021139713.db2.gz XRQYUUXDKZFXAA-LBPRGKRZSA-N -1 0 305.352 -0.093 20 0 DBADRM CC(C)[C@H](CNC(=O)NCc1nnc2n1CCOC2)C(=O)[O-] ZINC001588824891 1021139944 /nfs/dbraw/zinc/13/99/44/1021139944.db2.gz FLBPNLBELVFFSM-VIFPVBQESA-N -1 0 311.342 -0.036 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC001588843253 1021140990 /nfs/dbraw/zinc/14/09/90/1021140990.db2.gz HCTGXABHKOLJQF-BXKDBHETSA-N -1 0 315.370 -0.382 20 0 DBADRM CC(C)C[C@H](CNC(=O)N1CC(NS(C)(=O)=O)C1)C(=O)[O-] ZINC001588846768 1021141525 /nfs/dbraw/zinc/14/15/25/1021141525.db2.gz GXSXNTAOOCQXGG-SECBINFHSA-N -1 0 321.399 -0.324 20 0 DBADRM C/C=C(/C)C(=O)NC1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001511966589 1021143824 /nfs/dbraw/zinc/14/38/24/1021143824.db2.gz BOACBANHKSKWMG-YWEYNIOJSA-N -1 0 323.353 -0.239 20 0 DBADRM CC(C)CN1C[C@@H]2CN(CC(=O)NCC(=O)[O-])CCN2C1=O ZINC001588870193 1021146440 /nfs/dbraw/zinc/14/64/40/1021146440.db2.gz AIIOPXZGNQGMNL-NSHDSACASA-N -1 0 312.370 -0.735 20 0 DBADRM CC(C)CN1CCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1=O ZINC001588876029 1021148101 /nfs/dbraw/zinc/14/81/01/1021148101.db2.gz JAVQWEWRYOOWPB-UHFFFAOYSA-N -1 0 309.326 -0.697 20 0 DBADRM CC(C)CNC(=O)[C@H]1CSCN1C(=O)COCC(=O)[O-] ZINC001588876660 1021148117 /nfs/dbraw/zinc/14/81/17/1021148117.db2.gz ZAYPPLKQKWVISF-SECBINFHSA-N -1 0 304.368 -0.239 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC001588917643 1021151168 /nfs/dbraw/zinc/15/11/68/1021151168.db2.gz GLGFLODGTJZAOX-UHFFFAOYSA-N -1 0 301.324 -0.336 20 0 DBADRM CC(C)Cn1cc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])cn1 ZINC001588911004 1021151571 /nfs/dbraw/zinc/15/15/71/1021151571.db2.gz OPPQDKOZIJUCJR-CYBMUJFWSA-N -1 0 312.326 -0.571 20 0 DBADRM CC(C)N1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1=O ZINC001588923163 1021153106 /nfs/dbraw/zinc/15/31/06/1021153106.db2.gz HNZOJEFJCTWKIH-JTQLQIEISA-N -1 0 319.383 -0.667 20 0 DBADRM CC(C)NC(=O)CN1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001588925338 1021153312 /nfs/dbraw/zinc/15/33/12/1021153312.db2.gz JXCKVRHPBYTHEV-LLVKDONJSA-N -1 0 311.382 -0.092 20 0 DBADRM C[C@@H](C(=O)N(C)c1ncccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001588943423 1021156276 /nfs/dbraw/zinc/15/62/76/1021156276.db2.gz NVXILKOZVAXJKA-ZETCQYMHSA-N -1 0 300.286 -0.528 20 0 DBADRM C[C@@H](C(=O)N(C)Cc1ncc[nH]1)n1cnc(-c2nnn[n-]2)n1 ZINC001588943555 1021158373 /nfs/dbraw/zinc/15/83/73/1021158373.db2.gz SRZCVUISBKJYLI-ZETCQYMHSA-N -1 0 302.302 -0.599 20 0 DBADRM C/C(=C\C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])CN1CCOCC1 ZINC001588938952 1021158907 /nfs/dbraw/zinc/15/89/07/1021158907.db2.gz OCTYKPZXHACMQX-BCMYLCSRSA-N -1 0 323.353 -0.874 20 0 DBADRM C[C@@H](C(=O)N(C)Cc1cn[nH]c1)n1cnc(-c2nnn[n-]2)n1 ZINC001588943480 1021159177 /nfs/dbraw/zinc/15/91/77/1021159177.db2.gz PSIFOVJTXTWXGV-ZETCQYMHSA-N -1 0 302.302 -0.599 20 0 DBADRM C/C(=C\C(=O)[O-])CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O ZINC001588947528 1021159235 /nfs/dbraw/zinc/15/92/35/1021159235.db2.gz YYPHEVWGZWJXDX-SOFGYWHQSA-N -1 0 316.335 -0.484 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H](CO)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588954859 1021161047 /nfs/dbraw/zinc/16/10/47/1021161047.db2.gz PLGLYSZMOQLARH-VHSXEESVSA-N -1 0 320.357 -0.360 20 0 DBADRM CC(C)[C@H](NC(=O)c1nc2ncc(CCO)cn2n1)C(=O)[O-] ZINC001588958492 1021162522 /nfs/dbraw/zinc/16/25/22/1021162522.db2.gz FIDZOEPVFZEKMD-VIFPVBQESA-N -1 0 307.310 -0.502 20 0 DBADRM CC(C)[C@@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)C(=O)[O-] ZINC001588950840 1021162573 /nfs/dbraw/zinc/16/25/73/1021162573.db2.gz DGGAQAZAMJNKIV-MRVPVSSYSA-N -1 0 324.341 -0.871 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H](O)C(C)(C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588952254 1021162595 /nfs/dbraw/zinc/16/25/95/1021162595.db2.gz QPJNCTRLPVCEMQ-DTWKUNHWSA-N -1 0 320.357 -0.361 20 0 DBADRM C[C@@H](C(=O)N1CCOC(C)(C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588959278 1021163359 /nfs/dbraw/zinc/16/33/59/1021163359.db2.gz BWUKXADBPQLYBA-QMMMGPOBSA-N -1 0 306.330 -0.343 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001588960816 1021163701 /nfs/dbraw/zinc/16/37/01/1021163701.db2.gz IQRQZDIVJFPITA-KOLCDFICSA-N -1 0 304.368 -0.222 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@](C)(CO)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588951615 1021164635 /nfs/dbraw/zinc/16/46/35/1021164635.db2.gz HQMBOQXNWGGRKV-NOZJJQNGSA-N -1 0 320.357 -0.360 20 0 DBADRM C[C@@H](C[C@H](C)NC(=O)C(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001512192949 1021166995 /nfs/dbraw/zinc/16/69/95/1021166995.db2.gz HRXHCCUGUFZPFX-WHFBIAKZSA-N -1 0 319.268 -0.439 20 0 DBADRM C[C@H](C(=O)N[C@H]1C[C@H](O)C12CCC2)n1cnc(-c2nnn[n-]2)n1 ZINC001588970350 1021167169 /nfs/dbraw/zinc/16/71/69/1021167169.db2.gz FQDFJNBAHNKLDO-VGMNWLOBSA-N -1 0 318.341 -0.561 20 0 DBADRM C[C@H](C(=O)N1Cc2ccncc2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588965778 1021170582 /nfs/dbraw/zinc/17/05/82/1021170582.db2.gz LASZIZRGHROYFB-MRVPVSSYSA-N -1 0 311.309 -0.043 20 0 DBADRM C[C@@H](C(=O)NC(C)(C)c1ncc[nH]1)n1cnc(-c2nnn[n-]2)n1 ZINC001588965430 1021171016 /nfs/dbraw/zinc/17/10/16/1021171016.db2.gz DQCCTXJQVDPZLT-ZETCQYMHSA-N -1 0 316.329 -0.206 20 0 DBADRM C[C@H](C(=O)N1[C@@H](C)CC[C@H]1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001588965485 1021171400 /nfs/dbraw/zinc/17/14/00/1021171400.db2.gz FPIYRZZLFLPSSP-YIZRAAEISA-N -1 0 306.330 -0.609 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCCOCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588974036 1021171636 /nfs/dbraw/zinc/17/16/36/1021171636.db2.gz XAOSBYURNJKRDJ-DTWKUNHWSA-N -1 0 306.330 -0.296 20 0 DBADRM CC(C)n1[nH]cnc1=NC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001588988553 1021174308 /nfs/dbraw/zinc/17/43/08/1021174308.db2.gz RMHRQHHVTIVYGL-SNVBAGLBSA-N -1 0 323.353 -0.067 20 0 DBADRM C/C(=C/COC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC001588986866 1021174380 /nfs/dbraw/zinc/17/43/80/1021174380.db2.gz LIFIYQVCCSMYJK-USYJTPIQSA-N -1 0 306.340 -0.524 20 0 DBADRM C/C(=C/COC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC001588986864 1021175493 /nfs/dbraw/zinc/17/54/93/1021175493.db2.gz LIFIYQVCCSMYJK-OTOXVQDCSA-N -1 0 306.340 -0.524 20 0 DBADRM C/C(=C\COC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC001588986867 1021176604 /nfs/dbraw/zinc/17/66/04/1021176604.db2.gz LIFIYQVCCSMYJK-VGANXODHSA-N -1 0 306.340 -0.524 20 0 DBADRM C/C(=C\COC(=O)c1ncsc1S(N)(=O)=O)C(=O)[O-] ZINC001588991405 1021176619 /nfs/dbraw/zinc/17/66/19/1021176619.db2.gz UYNGLXWXMALGDK-GORDUTHDSA-N -1 0 306.321 -0.022 20 0 DBADRM C/C(=C/COC(=O)c1ncsc1S(N)(=O)=O)C(=O)[O-] ZINC001588991402 1021176653 /nfs/dbraw/zinc/17/66/53/1021176653.db2.gz UYNGLXWXMALGDK-DJWKRKHSSA-N -1 0 306.321 -0.022 20 0 DBADRM C[C@H](C(=O)NC[C@H](O)C1CCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588978755 1021176876 /nfs/dbraw/zinc/17/68/76/1021176876.db2.gz LHTZPHIAKJBKJI-APPZFPTMSA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@@H](C(=O)NCC(C)(C)CCO)n1cnc(-c2nnn[n-]2)n1 ZINC001588979030 1021176908 /nfs/dbraw/zinc/17/69/08/1021176908.db2.gz JEVYHSWIQLEEMD-QMMMGPOBSA-N -1 0 308.346 -0.456 20 0 DBADRM C[C@@H](C(=O)NCCn1ccnc1)n1cnc(-c2nnn[n-]2)n1 ZINC001588996703 1021178166 /nfs/dbraw/zinc/17/81/66/1021178166.db2.gz YMSHHQNWMPXJCT-QMMMGPOBSA-N -1 0 302.302 -0.968 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC001588997349 1021178536 /nfs/dbraw/zinc/17/85/36/1021178536.db2.gz BLRWUBOQCWCYLW-SCZZXKLOSA-N -1 0 309.326 -0.312 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC001588993637 1021179163 /nfs/dbraw/zinc/17/91/63/1021179163.db2.gz FKKPZPVINQDCAC-ZETCQYMHSA-N -1 0 305.294 -0.740 20 0 DBADRM C[C@@H](C(=O)NCCc1ccoc1)n1cnc(-c2nnn[n-]2)n1 ZINC001588995997 1021179493 /nfs/dbraw/zinc/17/94/93/1021179493.db2.gz AJIDZCBSJADWES-QMMMGPOBSA-N -1 0 302.298 -0.029 20 0 DBADRM C[C@@H](C(=O)NCCc1cncn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001588996450 1021179976 /nfs/dbraw/zinc/17/99/76/1021179976.db2.gz TVTJOMHNDDGBFM-QMMMGPOBSA-N -1 0 316.329 -0.888 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1cccnc1-n1cncn1 ZINC001588993578 1021180107 /nfs/dbraw/zinc/18/01/07/1021180107.db2.gz RHECOGZXAJMWAE-MRVPVSSYSA-N -1 0 318.293 -0.420 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001588997987 1021180226 /nfs/dbraw/zinc/18/02/26/1021180226.db2.gz GTPZPTYXFWRPPM-BBBLOLIVSA-N -1 0 321.399 -0.133 20 0 DBADRM C[C@H](C(=O)[N-]OC1CC[NH+](C)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001589003173 1021180544 /nfs/dbraw/zinc/18/05/44/1021180544.db2.gz REPCQJKQSYPLLN-MRVPVSSYSA-N -1 0 321.345 -0.839 20 0 DBADRM CC(=O)C[C@H]1COCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC001589030253 1021181653 /nfs/dbraw/zinc/18/16/53/1021181653.db2.gz GQXOGBIVBMJLLG-JTQLQIEISA-N -1 0 308.356 -0.682 20 0 DBADRM C[C@@H](C(=O)O[C@H]1CCCN(C)C1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001589027872 1021181683 /nfs/dbraw/zinc/18/16/83/1021181683.db2.gz QEXSIABFSKFOKE-YUMQZZPRSA-N -1 0 320.313 -0.817 20 0 DBADRM C[C@H](C(=O)OCCC1OCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001589028238 1021183232 /nfs/dbraw/zinc/18/32/32/1021183232.db2.gz UVSNNSZHDNSJPE-SSDOTTSWSA-N -1 0 309.286 -0.675 20 0 DBADRM C[C@@H](C(=O)OCCC(=O)N(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001589025686 1021183286 /nfs/dbraw/zinc/18/32/86/1021183286.db2.gz BBZPOWGPLUTPLI-ZETCQYMHSA-N -1 0 308.302 -0.959 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001589061291 1021186152 /nfs/dbraw/zinc/18/61/52/1021186152.db2.gz WVTXVDKAVJVMRA-CYBMUJFWSA-N -1 0 309.326 -0.649 20 0 DBADRM CC(=O)OC(C)(C)C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001589223902 1021204463 /nfs/dbraw/zinc/20/44/63/1021204463.db2.gz CLSJRSIBZUOHAX-SECBINFHSA-N -1 0 301.295 -0.053 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)c2ccc(C(=O)[O-])n2C)CC1 ZINC001589081119 1021190822 /nfs/dbraw/zinc/19/08/22/1021190822.db2.gz NCPULKQMGCAYEZ-UHFFFAOYSA-N -1 0 322.365 -0.383 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])C1 ZINC001589066114 1021191407 /nfs/dbraw/zinc/19/14/07/1021191407.db2.gz DJNFSTJSGPCLDC-NWDGAFQWSA-N -1 0 308.338 -0.289 20 0 DBADRM CC(=O)N1CCCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)CC1 ZINC001589072676 1021191647 /nfs/dbraw/zinc/19/16/47/1021191647.db2.gz PKDCSVFEWZKRSB-UHFFFAOYSA-N -1 0 321.333 -0.373 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)C[C@@H](C)CC(=O)[O-])CC1 ZINC001589079551 1021191686 /nfs/dbraw/zinc/19/16/86/1021191686.db2.gz HIOMGGYYKLSVLP-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM CC(=O)N1CCC[C@H](CN2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)C1 ZINC001589070209 1021191999 /nfs/dbraw/zinc/19/19/99/1021191999.db2.gz KVYRLRAYEHHZEC-QCNOEVLYSA-N -1 0 323.349 -0.114 20 0 DBADRM CC(=O)N1CCC(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001589065249 1021192116 /nfs/dbraw/zinc/19/21/16/1021192116.db2.gz OSUVSWKMBYQNDP-CMPLNLGQSA-N -1 0 313.354 -0.526 20 0 DBADRM CC(=O)N1CCC(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001589065250 1021192243 /nfs/dbraw/zinc/19/22/43/1021192243.db2.gz OSUVSWKMBYQNDP-JQWIXIFHSA-N -1 0 313.354 -0.526 20 0 DBADRM CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)[C@@H](C)C1 ZINC001589080033 1021192636 /nfs/dbraw/zinc/19/26/36/1021192636.db2.gz PBZKSRSGKCZPHC-CABZTGNLSA-N -1 0 323.349 -0.645 20 0 DBADRM CC(=O)N1CCO[C@@H](C(=O)N2CCSC[C@H]2C(=O)[O-])C1 ZINC001589087359 1021193076 /nfs/dbraw/zinc/19/30/76/1021193076.db2.gz VNRANLVEPILXMY-VHSXEESVSA-N -1 0 302.352 -0.738 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001589080419 1021193477 /nfs/dbraw/zinc/19/34/77/1021193477.db2.gz XUJSWYZROBICNZ-MNOVXSKESA-N -1 0 312.322 -0.669 20 0 DBADRM CC(=O)N[C@@H](CCC(C)C)C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001589112064 1021194591 /nfs/dbraw/zinc/19/45/91/1021194591.db2.gz AIMDICVJNLIDJC-FZMZJTMJSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C)C(=O)[O-] ZINC001589104581 1021195052 /nfs/dbraw/zinc/19/50/52/1021195052.db2.gz WBOSXSHNUURYOH-SSDOTTSWSA-N -1 0 301.343 -0.615 20 0 DBADRM CC(=O)N[C@H]1CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC001589121504 1021195098 /nfs/dbraw/zinc/19/50/98/1021195098.db2.gz YDYIGDNTNASCEW-JTQLQIEISA-N -1 0 313.335 -0.321 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NCCCNc1ncc(C(=O)[O-])cn1 ZINC001589106149 1021196097 /nfs/dbraw/zinc/19/60/97/1021196097.db2.gz VVIMOIHCAKDWHM-QMMMGPOBSA-N -1 0 309.326 -0.382 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)CCCNc1ncc(C(=O)[O-])cn1 ZINC001589106166 1021196733 /nfs/dbraw/zinc/19/67/33/1021196733.db2.gz XEPSEXRYXNCTGH-VIFPVBQESA-N -1 0 323.353 -0.040 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001589137594 1021198950 /nfs/dbraw/zinc/19/89/50/1021198950.db2.gz JGHNTMUKMYTSHV-NSHDSACASA-N -1 0 313.354 -0.802 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)CCCc1nc(C)no1)C(=O)[O-] ZINC001589156646 1021202491 /nfs/dbraw/zinc/20/24/91/1021202491.db2.gz UFPVQAATDJPROX-GWNMQOMSSA-N -1 0 303.340 -0.351 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001589165009 1021203420 /nfs/dbraw/zinc/20/34/20/1021203420.db2.gz FALUXQORMFWRDR-SNVBAGLBSA-N -1 0 311.342 -0.357 20 0 DBADRM CC(=O)OC[C@H](CO)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001589229391 1021203697 /nfs/dbraw/zinc/20/36/97/1021203697.db2.gz ROAKZBUXHIOPCI-NSHDSACASA-N -1 0 311.290 -0.196 20 0 DBADRM CC(=O)Nc1cnccc1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001589222880 1021203772 /nfs/dbraw/zinc/20/37/72/1021203772.db2.gz AUROWTJBWQJECZ-YUMQZZPRSA-N -1 0 322.321 -0.252 20 0 DBADRM CC(=O)Nc1ccc(F)c(C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001589195246 1021203853 /nfs/dbraw/zinc/20/38/53/1021203853.db2.gz QYQHSIIDGRAHHR-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM CC(=O)Nc1cnccc1C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001589223115 1021204630 /nfs/dbraw/zinc/20/46/30/1021204630.db2.gz MFGOJAXKZJLCMW-VHSXEESVSA-N -1 0 307.306 -0.052 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)CC(=O)Nc1cc(C)on1)C(=O)[O-] ZINC001589156155 1021204904 /nfs/dbraw/zinc/20/49/04/1021204904.db2.gz PMEPJPRJZLWVRN-HXNGOWOSSA-N -1 0 317.323 -0.740 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)Cc1cn(C(C)C)nn1)C(=O)[O-] ZINC001589156739 1021205161 /nfs/dbraw/zinc/20/51/61/1021205161.db2.gz VVUMDTUZIQVHOS-FVINQWEUSA-N -1 0 302.356 -0.303 20 0 DBADRM CC1(C)NC(=O)N(CCCNC(=O)[C@@H](C(=O)[O-])C2CC2)C1=O ZINC001589232620 1021206032 /nfs/dbraw/zinc/20/60/32/1021206032.db2.gz NQKZVGVHIURZRJ-VIFPVBQESA-N -1 0 311.338 -0.066 20 0 DBADRM CC1(C)COC(=O)[C@@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589232263 1021206055 /nfs/dbraw/zinc/20/60/55/1021206055.db2.gz PWDACFPQWIRXCQ-YUMQZZPRSA-N -1 0 306.340 -0.679 20 0 DBADRM CC1(C)NC(=O)N(CCCNC(=O)NCCC(=O)[O-])C1=O ZINC001589232109 1021206122 /nfs/dbraw/zinc/20/61/22/1021206122.db2.gz DKWWRBSWYQFWPC-UHFFFAOYSA-N -1 0 300.315 -0.519 20 0 DBADRM CC(=O)c1cn(CC(=O)N2CCSC[C@H]2CC(=O)[O-])nn1 ZINC001589318551 1021207667 /nfs/dbraw/zinc/20/76/67/1021207667.db2.gz ITHJBRVETHKKBS-SECBINFHSA-N -1 0 312.351 -0.101 20 0 DBADRM C[C@@H](C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])N1CCN(C)CC1 ZINC001589346786 1021212595 /nfs/dbraw/zinc/21/25/95/1021212595.db2.gz VEZNOOPFVUONDU-UWVGGRQHSA-N -1 0 305.325 -0.057 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001589336733 1021213369 /nfs/dbraw/zinc/21/33/69/1021213369.db2.gz LNBWHMLBKZPEKI-CABZTGNLSA-N -1 0 322.383 -0.594 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NCc1ncc(C(=O)[O-])s1 ZINC001589337691 1021213939 /nfs/dbraw/zinc/21/39/39/1021213939.db2.gz VWVSLQSSFNOQKR-LURJTMIESA-N -1 0 321.380 -0.263 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(C)[C@@H](CO)C1 ZINC001589350422 1021215544 /nfs/dbraw/zinc/21/55/44/1021215544.db2.gz QCOMIWFCHJQGSD-WCQYABFASA-N -1 0 313.398 -0.694 20 0 DBADRM CC(C)=C(C)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001589346697 1021217234 /nfs/dbraw/zinc/21/72/34/1021217234.db2.gz YLOCELJUUVDCTF-UHFFFAOYSA-N -1 0 319.325 -0.399 20 0 DBADRM C[C@H](C(=O)N1CC(C)(C(=O)[O-])C1)n1cnc2c1ncnc2N ZINC001589346445 1021217594 /nfs/dbraw/zinc/21/75/94/1021217594.db2.gz QKQZTHYAYHWLSZ-SSDOTTSWSA-N -1 0 304.310 -0.097 20 0 DBADRM CCC(=O)NCCC1=CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001512520120 1021217661 /nfs/dbraw/zinc/21/76/61/1021217661.db2.gz AQIFEMOEEJEFSX-UHFFFAOYSA-N -1 0 321.337 -0.029 20 0 DBADRM C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])N1CCNCC1=O ZINC001589346779 1021218413 /nfs/dbraw/zinc/21/84/13/1021218413.db2.gz VEKBHVZCTZSOSY-MPPDQPJWSA-N -1 0 309.366 -0.482 20 0 DBADRM C[C@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)[C@H](C)S(C)(=O)=O ZINC001589360342 1021219318 /nfs/dbraw/zinc/21/93/18/1021219318.db2.gz KKMWVBOTSDLLOS-LPEHRKFASA-N -1 0 307.368 -0.242 20 0 DBADRM C[C@H](C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)N1CCNCC1=O ZINC001589378564 1021219510 /nfs/dbraw/zinc/21/95/10/1021219510.db2.gz NHVJAWFFAAYNBA-BZNIZROVSA-N -1 0 319.361 -0.077 20 0 DBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])C1CCOCC1)N1CCN(C)CC1 ZINC001589376348 1021219718 /nfs/dbraw/zinc/21/97/18/1021219718.db2.gz YOSVEMQPGVZZMZ-YPMHNXCESA-N -1 0 313.398 -0.382 20 0 DBADRM CC(C)=CC(=O)NC[C@@H](CO)Nc1cncc(-c2nn[nH]n2)n1 ZINC001589366737 1021221227 /nfs/dbraw/zinc/22/12/27/1021221227.db2.gz BHJNBVNBZSAAKV-VIFPVBQESA-N -1 0 318.341 -0.488 20 0 DBADRM C[C@@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])n1cnc2c1ncnc2N ZINC001589360194 1021222861 /nfs/dbraw/zinc/22/28/61/1021222861.db2.gz IZSRKWUNRWTJKR-JGVFFNPUSA-N -1 0 320.309 -0.719 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN2C(=O)N=NC2C1 ZINC001589353341 1021223216 /nfs/dbraw/zinc/22/32/16/1021223216.db2.gz WJAHZAFSAMAGHO-SECBINFHSA-N -1 0 323.353 -0.489 20 0 DBADRM CC(C)=CC(=O)NC[C@H](CO)Nc1cncc(-c2nn[nH]n2)n1 ZINC001589366735 1021224964 /nfs/dbraw/zinc/22/49/64/1021224964.db2.gz BHJNBVNBZSAAKV-SECBINFHSA-N -1 0 318.341 -0.488 20 0 DBADRM C[C@H](C(=O)N1CCSC[C@@H](C(=O)[O-])C1)N1CCN(C)CC1 ZINC001589365542 1021225933 /nfs/dbraw/zinc/22/59/33/1021225933.db2.gz VNOOKQBEFAOODZ-NEPJUHHUSA-N -1 0 315.439 -0.102 20 0 DBADRM C[C@H]([C@@H](C)C(=O)N1CCN(CC(=O)[O-])CC1)S(C)(=O)=O ZINC001589360139 1021226379 /nfs/dbraw/zinc/22/63/79/1021226379.db2.gz HJGIQLFISKEHEO-NXEZZACHSA-N -1 0 306.384 -0.716 20 0 DBADRM C[C@H](C(=O)N[C@H](Cc1ccncc1)C(=O)[O-])S(C)(=O)=O ZINC001589389298 1021228915 /nfs/dbraw/zinc/22/89/15/1021228915.db2.gz XUKMOCDMPJJWHF-PSASIEDQSA-N -1 0 300.336 -0.373 20 0 DBADRM C[C@H](C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-])S(C)(=O)=O ZINC001589381217 1021229425 /nfs/dbraw/zinc/22/94/25/1021229425.db2.gz OMIAVGYRMDADRD-KCJUWKMLSA-N -1 0 303.340 -0.724 20 0 DBADRM C[C@@H](C(=O)N[C@](C)(CO)C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC001589381040 1021231976 /nfs/dbraw/zinc/23/19/76/1021231976.db2.gz LMZVACPWEMDVDM-LKFCYVNXSA-N -1 0 319.321 -0.147 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CC(=O)N(CCC(F)(F)F)C1 ZINC001589396308 1021232488 /nfs/dbraw/zinc/23/24/88/1021232488.db2.gz CWWBDJIQEUZOLC-ZETCQYMHSA-N -1 0 311.260 -0.370 20 0 DBADRM C[C@@H](C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-])N1CCN(C)CC1 ZINC001589380597 1021232664 /nfs/dbraw/zinc/23/26/64/1021232664.db2.gz AVUSIJKKMFXHMS-WFASDCNBSA-N -1 0 323.397 -0.522 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC(N2CCCNC2=O)CC1 ZINC001589396489 1021233085 /nfs/dbraw/zinc/23/30/85/1021233085.db2.gz FWPOQFYAJBIAAC-SNVBAGLBSA-N -1 0 312.370 -0.545 20 0 DBADRM C[C@@H](C(=O)NCCNc1ccnc(C(=O)[O-])n1)[C@@H]1CCC(=O)N1 ZINC001589409789 1021240380 /nfs/dbraw/zinc/24/03/80/1021240380.db2.gz IYRXXBLFKYGMGM-BDAKNGLRSA-N -1 0 321.337 -0.961 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1)C(=O)[O-] ZINC001589474706 1021242874 /nfs/dbraw/zinc/24/28/74/1021242874.db2.gz ABCRWTCJLXZEKL-MRVPVSSYSA-N -1 0 315.311 -0.153 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)Cn1ncn2nccc2c1=O)C1CCC1 ZINC001589478473 1021251165 /nfs/dbraw/zinc/25/11/65/1021251165.db2.gz ZEWZOGCWAXESHH-SECBINFHSA-N -1 0 319.321 -0.255 20 0 DBADRM CC(C)[C@H](O)CNS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001589480558 1021254870 /nfs/dbraw/zinc/25/48/70/1021254870.db2.gz PCNCJYHXCJZBGW-MRVPVSSYSA-N -1 0 312.355 -0.443 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001589553779 1021257259 /nfs/dbraw/zinc/25/72/59/1021257259.db2.gz QWBXEPMILPVYFQ-BDAKNGLRSA-N -1 0 317.367 -0.139 20 0 DBADRM CC(C)C1CN(C(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001589511303 1021258293 /nfs/dbraw/zinc/25/82/93/1021258293.db2.gz XLQUYWJYNAKNLL-UHFFFAOYSA-N -1 0 319.325 -0.757 20 0 DBADRM CC(C)[C@H]1CCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001589509539 1021263116 /nfs/dbraw/zinc/26/31/16/1021263116.db2.gz FDKHUHNPOFWUKF-MRVPVSSYSA-N -1 0 305.342 -0.501 20 0 DBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001589553781 1021263580 /nfs/dbraw/zinc/26/35/80/1021263580.db2.gz QWBXEPMILPVYFQ-IUCAKERBSA-N -1 0 317.367 -0.139 20 0 DBADRM CC(C)CCCNC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001589597234 1021264351 /nfs/dbraw/zinc/26/43/51/1021264351.db2.gz DAOOVZIMAVKTAZ-UHFFFAOYSA-N -1 0 321.341 -0.319 20 0 DBADRM CC(C)COCCC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589645880 1021270679 /nfs/dbraw/zinc/27/06/79/1021270679.db2.gz OEAGQYYQUXNRGZ-UHFFFAOYSA-N -1 0 308.346 -0.363 20 0 DBADRM CC(C)C[C@H](CO)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589658659 1021271962 /nfs/dbraw/zinc/27/19/62/1021271962.db2.gz LMHDPRJYWRAVNB-DTWKUNHWSA-N -1 0 308.346 -0.458 20 0 DBADRM CC(C)C[C@@H](CO)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589653391 1021272994 /nfs/dbraw/zinc/27/29/94/1021272994.db2.gz LMHDPRJYWRAVNB-IUCAKERBSA-N -1 0 308.346 -0.458 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)NC2(CO)CCC2)cn1 ZINC001589661038 1021273653 /nfs/dbraw/zinc/27/36/53/1021273653.db2.gz ZVDVJFKVHWJJLH-UHFFFAOYSA-N -1 0 324.337 -0.328 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NS(=O)(=O)N2CCOCC2)cn1 ZINC001589671193 1021276816 /nfs/dbraw/zinc/27/68/16/1021276816.db2.gz SPCYNYJVBFUUCQ-UHFFFAOYSA-N -1 0 318.355 -0.308 20 0 DBADRM CC(C)(C(N)=O)C(=O)NC/C=C\CNc1ccnc(C(=O)[O-])n1 ZINC001589682004 1021278380 /nfs/dbraw/zinc/27/83/80/1021278380.db2.gz LOJQDDUYQSFQFK-ARJAWSKDSA-N -1 0 321.337 -0.808 20 0 DBADRM CC(C)(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001589685210 1021278426 /nfs/dbraw/zinc/27/84/26/1021278426.db2.gz VTHOACFLVTYBND-ZJUUUORDSA-N -1 0 310.350 -0.007 20 0 DBADRM CC(C)(C)C(=O)C(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1 ZINC001589684948 1021280193 /nfs/dbraw/zinc/28/01/93/1021280193.db2.gz RRHQCYLUNAGOEJ-QMMMGPOBSA-N -1 0 324.337 -0.899 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)NCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001589690296 1021281031 /nfs/dbraw/zinc/28/10/31/1021281031.db2.gz LWFQLZIZLTXZCF-RKDXNWHRSA-N -1 0 313.354 -0.898 20 0 DBADRM CC(C)N(C(=O)Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O)C(C)C ZINC001589672916 1021281279 /nfs/dbraw/zinc/28/12/79/1021281279.db2.gz INJGZKSQKKKOJG-UHFFFAOYSA-N -1 0 321.341 -0.226 20 0 DBADRM CC(C)Cn1ncnc1Cn1cncc(-c2nnn[n-]2)c1=O ZINC001589671726 1021281883 /nfs/dbraw/zinc/28/18/83/1021281883.db2.gz XCNVRALMPGUWDP-UHFFFAOYSA-N -1 0 301.314 -0.281 20 0 DBADRM CC(C)(C)C(=O)NCCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001589692731 1021284257 /nfs/dbraw/zinc/28/42/57/1021284257.db2.gz CPNQDMXZKCXALE-DTORHVGOSA-N -1 0 306.384 -0.069 20 0 DBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001589717932 1021286790 /nfs/dbraw/zinc/28/67/90/1021286790.db2.gz UNUIDABOOTYKHY-IUCAKERBSA-N -1 0 311.342 -0.395 20 0 DBADRM CC(C)(C)[C@H]1CCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C[C@H]1O ZINC001589732460 1021288560 /nfs/dbraw/zinc/28/85/60/1021288560.db2.gz NFRKGFFLTLVVLN-LPEHRKFASA-N -1 0 318.345 -0.219 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001589722672 1021294429 /nfs/dbraw/zinc/29/44/29/1021294429.db2.gz MREHOICMLAVDFK-QWRGUYRKSA-N -1 0 313.354 -0.145 20 0 DBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001589716149 1021295876 /nfs/dbraw/zinc/29/58/76/1021295876.db2.gz CBAILVCTBBZIAP-MRVPVSSYSA-N -1 0 301.343 -0.493 20 0 DBADRM CC(C)OCCCC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589748150 1021302048 /nfs/dbraw/zinc/30/20/48/1021302048.db2.gz MWORPRVVQLBTRH-UHFFFAOYSA-N -1 0 308.346 -0.220 20 0 DBADRM CC(C)n1ncnc1CNCCn1cnc(-c2nnn[n-]2)n1 ZINC001589785555 1021302138 /nfs/dbraw/zinc/30/21/38/1021302138.db2.gz KLQGCLXUMOWZKE-UHFFFAOYSA-N -1 0 303.334 -0.580 20 0 DBADRM C[C@H](C1CC1)N(C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589787155 1021303334 /nfs/dbraw/zinc/30/33/34/1021303334.db2.gz QJXOPMFKYUJMNF-MRVPVSSYSA-N -1 0 305.346 -0.102 20 0 DBADRM CC(C)c1nnc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)[nH]1 ZINC001589778357 1021304293 /nfs/dbraw/zinc/30/42/93/1021304293.db2.gz FKCMHKQMRCZATB-UHFFFAOYSA-N -1 0 317.317 -0.984 20 0 DBADRM C[C@@H](C1CC1)N(C)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001589787138 1021305427 /nfs/dbraw/zinc/30/54/27/1021305427.db2.gz PUHNHVQDYQBHRK-ZETCQYMHSA-N -1 0 319.325 -0.614 20 0 DBADRM CC(C)(C)N1C[C@H](C(=O)NC2(C(=O)[O-])CC(CO)C2)CC1=O ZINC001589796840 1021306045 /nfs/dbraw/zinc/30/60/45/1021306045.db2.gz WYWHODAWVCUOLD-KGXJWFGYSA-N -1 0 312.366 -0.025 20 0 DBADRM CC(C)(C)N1C[C@H](C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CC1=O ZINC001589796082 1021307412 /nfs/dbraw/zinc/30/74/12/1021307412.db2.gz NBXQWUQAHMTFFC-ZJUUUORDSA-N -1 0 323.353 -0.506 20 0 DBADRM CC(C)(C)NC(=O)N1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC001589823503 1021308075 /nfs/dbraw/zinc/30/80/75/1021308075.db2.gz FASZUDMMMMOLFD-UHFFFAOYSA-N -1 0 300.359 -0.687 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001589824625 1021312523 /nfs/dbraw/zinc/31/25/23/1021312523.db2.gz JPZIROCRCKSFIP-VIFPVBQESA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)(C)OC(=O)C(=O)COC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001589839447 1021312885 /nfs/dbraw/zinc/31/28/85/1021312885.db2.gz FJUBEYKQXUVWCX-UHFFFAOYSA-N -1 0 313.266 -0.570 20 0 DBADRM C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)cn1)c1nnn[n-]1 ZINC001589841083 1021314663 /nfs/dbraw/zinc/31/46/63/1021314663.db2.gz PTLJQNPFDTZDCQ-SSDOTTSWSA-N -1 0 314.313 -0.350 20 0 DBADRM C[C@@H](CCO)CCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001589834879 1021315843 /nfs/dbraw/zinc/31/58/43/1021315843.db2.gz RDJWHMVVROSKGW-MRVPVSSYSA-N -1 0 323.357 -0.915 20 0 DBADRM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1nnn[n-]1 ZINC001589840374 1021316489 /nfs/dbraw/zinc/31/64/89/1021316489.db2.gz IMSWIINSKTVLEZ-ZCFIWIBFSA-N -1 0 302.302 -0.416 20 0 DBADRM CC(C)(C)OC(=O)[C@@]1(NC(=O)COCC(=O)[O-])CCOC1 ZINC001589857780 1021319748 /nfs/dbraw/zinc/31/97/48/1021319748.db2.gz UFSNPEFHUYIBEX-CYBMUJFWSA-N -1 0 303.311 -0.295 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCSC[C@H]1C(=O)[O-] ZINC001589890471 1021333454 /nfs/dbraw/zinc/33/34/54/1021333454.db2.gz KUWUQIOABQPQDX-VIFPVBQESA-N -1 0 318.395 -0.054 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCSC[C@@H]1C(=O)[O-] ZINC001589890465 1021334128 /nfs/dbraw/zinc/33/41/28/1021334128.db2.gz KUWUQIOABQPQDX-SECBINFHSA-N -1 0 318.395 -0.054 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001589904665 1021334657 /nfs/dbraw/zinc/33/46/57/1021334657.db2.gz UYCPUASMUDOFAD-QMMMGPOBSA-N -1 0 314.309 -0.018 20 0 DBADRM C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)C(=O)NCCF ZINC001589944222 1021336492 /nfs/dbraw/zinc/33/64/92/1021336492.db2.gz AOTDNQNTBQKUGH-ZETCQYMHSA-N -1 0 322.300 -0.224 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N[C@H](CO)C(=O)[O-])C1 ZINC001589979797 1021344364 /nfs/dbraw/zinc/34/43/64/1021344364.db2.gz YVAGOOBYTJCRNK-AMIZOPFISA-N -1 0 320.317 -0.103 20 0 DBADRM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)c1nccn1C ZINC001589978054 1021344715 /nfs/dbraw/zinc/34/47/15/1021344715.db2.gz HAGWHYHQSZUVJM-ZCFIWIBFSA-N -1 0 317.313 -0.427 20 0 DBADRM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)c1cn[nH]c1 ZINC001589978056 1021346158 /nfs/dbraw/zinc/34/61/58/1021346158.db2.gz HCVQHBHVHWIFRI-YFKPBYRVSA-N -1 0 303.286 -0.438 20 0 DBADRM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C1CCOCC1 ZINC001589978676 1021346653 /nfs/dbraw/zinc/34/66/53/1021346653.db2.gz XAGCKWSXOXLUKZ-ZETCQYMHSA-N -1 0 321.341 -0.107 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H]([C@H](C)O)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001589993885 1021353676 /nfs/dbraw/zinc/35/36/76/1021353676.db2.gz AXWSRHIMSUBRDU-KXUCPTDWSA-N -1 0 320.357 -0.361 20 0 DBADRM CC(C)(C)OC(=O)NC1(C(=O)NC[C@@H](O)CC(=O)[O-])CC1 ZINC001590125720 1021388057 /nfs/dbraw/zinc/38/80/57/1021388057.db2.gz QKASTDLUVUWMBO-QMMMGPOBSA-N -1 0 302.327 -0.005 20 0 DBADRM CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001590110454 1021391913 /nfs/dbraw/zinc/39/19/13/1021391913.db2.gz WSKQBQRWXJVFLR-UHFFFAOYSA-N -1 0 302.327 -0.052 20 0 DBADRM C[C@@]12CN(c3ccnc(-c4nnn[n-]4)n3)C[C@@]1(C)C(=O)NC2=O ZINC001590155310 1021396002 /nfs/dbraw/zinc/39/60/02/1021396002.db2.gz HCSGJVUUYJJSOB-STQMWFEESA-N -1 0 314.309 -0.854 20 0 DBADRM C[C@]1(NS(=O)(=O)c2cccnc2-c2nnn[n-]2)CCOC1=O ZINC001590149593 1021396447 /nfs/dbraw/zinc/39/64/47/1021396447.db2.gz WUXJOIUSKFIDIP-NSHDSACASA-N -1 0 324.322 -0.754 20 0 DBADRM C[C@]12CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)C[C@H]1C2(F)F ZINC001590155317 1021397427 /nfs/dbraw/zinc/39/74/27/1021397427.db2.gz HMPVNPUNWVCDKU-HQJQHLMTSA-N -1 0 324.295 -0.038 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001590148354 1021398821 /nfs/dbraw/zinc/39/88/21/1021398821.db2.gz YIBSZQNMVMUTCK-BDAKNGLRSA-N -1 0 302.327 -0.195 20 0 DBADRM CC(C)(C)OC(=O)NCC1(C(=O)N2CC(O)(C(=O)[O-])C2)CC1 ZINC001590163832 1021399895 /nfs/dbraw/zinc/39/98/95/1021399895.db2.gz YHXFOXVFEDEVOG-UHFFFAOYSA-N -1 0 314.338 -0.051 20 0 DBADRM CC(C)(C)OC(=O)NCCC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001590176879 1021402757 /nfs/dbraw/zinc/40/27/57/1021402757.db2.gz DKSIXFHVTFCEMH-ZDUSSCGKSA-N -1 0 302.327 -0.051 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCCOCC(=O)[O-] ZINC001590163187 1021403573 /nfs/dbraw/zinc/40/35/73/1021403573.db2.gz QHXRONKFQNPIOA-VIFPVBQESA-N -1 0 320.342 -0.521 20 0 DBADRM CC(C)(C)OC(=O)NCC1(NC(=O)COCC(=O)[O-])COC1 ZINC001590165433 1021405463 /nfs/dbraw/zinc/40/54/63/1021405463.db2.gz PTJZWMDUNKSEHG-UHFFFAOYSA-N -1 0 318.326 -0.503 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2sccc2-c2nn[nH]n2)C(=O)N1C ZINC001590164137 1021410929 /nfs/dbraw/zinc/41/09/29/1021410929.db2.gz BHGOUIQWCZXFPX-YFKPBYRVSA-N -1 0 321.322 -0.145 20 0 DBADRM C[C@@H]1C[C@@H](CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@H](C)O1 ZINC001590194102 1021421076 /nfs/dbraw/zinc/42/10/76/1021421076.db2.gz PLWFXJUAFYLEEL-CSMHCCOUSA-N -1 0 321.341 -0.109 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)[C@@H](C)O1 ZINC001590199160 1021421264 /nfs/dbraw/zinc/42/12/64/1021421264.db2.gz JERAFVDHDVKVIS-HLTSFMKQSA-N -1 0 321.345 -0.677 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCNc2ccnc(-c3nnn[n-]3)n2)CO1 ZINC001590183957 1021422485 /nfs/dbraw/zinc/42/24/85/1021422485.db2.gz WVJKOSZJNAPUAW-BDAKNGLRSA-N -1 0 318.341 -0.968 20 0 DBADRM C[C@H]1C[C@H](C)CN(C(=O)Cn2cncc(-c3nnn[n-]3)c2=O)C1 ZINC001590187451 1021425178 /nfs/dbraw/zinc/42/51/78/1021425178.db2.gz KGKAIJSZAADONP-UWVGGRQHSA-N -1 0 317.353 -0.072 20 0 DBADRM C[C@@H]1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@H](C)O1 ZINC001590208480 1021427242 /nfs/dbraw/zinc/42/72/42/1021427242.db2.gz WUKJCAZWWFOXPD-VQVTYTSYSA-N -1 0 307.314 -0.356 20 0 DBADRM C[C@H]1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CS1 ZINC001590206622 1021430227 /nfs/dbraw/zinc/43/02/27/1021430227.db2.gz JWHLGEHJJCIEQV-WDSKDSINSA-N -1 0 309.355 -0.028 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC(C)(C(=O)[O-])C1 ZINC001590205929 1021431225 /nfs/dbraw/zinc/43/12/25/1021431225.db2.gz CXCQPHNDNVZSJU-QMMMGPOBSA-N -1 0 302.327 -0.195 20 0 DBADRM CC1CCN(C(=O)Cn2cncc(-c3nnn[n-]3)c2=O)CC1 ZINC001590265367 1021432681 /nfs/dbraw/zinc/43/26/81/1021432681.db2.gz YLKSUYNDDNWUPS-UHFFFAOYSA-N -1 0 303.326 -0.318 20 0 DBADRM C[C@@H]1CCCCN1C(=O)Cn1cncc(-c2nnn[n-]2)c1=O ZINC001590261141 1021433587 /nfs/dbraw/zinc/43/35/87/1021433587.db2.gz QWNLSDWJPKBDMO-SECBINFHSA-N -1 0 303.326 -0.176 20 0 DBADRM C[C@@H]1CC[C@@H](CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)O1 ZINC001590229577 1021438426 /nfs/dbraw/zinc/43/84/26/1021438426.db2.gz IUXJMJINYBEKDN-RQJHMYQMSA-N -1 0 307.314 -0.355 20 0 DBADRM C[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CCS1 ZINC001590276668 1021441094 /nfs/dbraw/zinc/44/10/94/1021441094.db2.gz OTNPPJUYZZHHMC-SSDOTTSWSA-N -1 0 323.382 -0.415 20 0 DBADRM CC(C)C(=O)N(C)C[C@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001514530932 1021441623 /nfs/dbraw/zinc/44/16/23/1021441623.db2.gz DRSGUQQIMZLKSS-SNVBAGLBSA-N -1 0 322.365 -0.185 20 0 DBADRM C[C@H]1CN(C(=O)Cn2ccc(-c3nnn[n-]3)cc2=O)C[C@H](C)O1 ZINC001590290873 1021442461 /nfs/dbraw/zinc/44/24/61/1021442461.db2.gz FGDPECQAKKZUNR-UWVGGRQHSA-N -1 0 318.337 -0.336 20 0 DBADRM C[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)CCS1(=O)=O ZINC001590274285 1021443917 /nfs/dbraw/zinc/44/39/17/1021443917.db2.gz IPTNEVULFMBOMD-QMMMGPOBSA-N -1 0 309.355 -0.330 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC001590275039 1021444023 /nfs/dbraw/zinc/44/40/23/1021444023.db2.gz YVXQOSVLJRFBSG-BDAKNGLRSA-N -1 0 302.327 -0.149 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCCOCC(=O)[O-] ZINC001590274385 1021444054 /nfs/dbraw/zinc/44/40/54/1021444054.db2.gz FMFOENXGQJCJGZ-MRVPVSSYSA-N -1 0 306.315 -0.911 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCC1(F)F ZINC001590292522 1021445872 /nfs/dbraw/zinc/44/58/72/1021445872.db2.gz ZFAIAECVYRQLOG-SSDOTTSWSA-N -1 0 312.284 -0.038 20 0 DBADRM C[C@H]1COC2(CCC2)CN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590322210 1021455282 /nfs/dbraw/zinc/45/52/82/1021455282.db2.gz FXYWIMRKHDOLOT-VIFPVBQESA-N -1 0 318.341 -0.372 20 0 DBADRM C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC(C)(C)O1 ZINC001590315363 1021458396 /nfs/dbraw/zinc/45/83/96/1021458396.db2.gz XTQZEWHJFPLZKN-SSDOTTSWSA-N -1 0 321.341 -0.743 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590323677 1021464917 /nfs/dbraw/zinc/46/49/17/1021464917.db2.gz NJHACFFCRRRHKV-WCBMZHEXSA-N -1 0 319.321 -0.206 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590334023 1021467118 /nfs/dbraw/zinc/46/71/18/1021467118.db2.gz ISBYLUICKVGNIZ-LKHWLPBLSA-N -1 0 321.341 -0.110 20 0 DBADRM C[C@@H](C(=O)N1CCO[C@@H](C)[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590338891 1021470129 /nfs/dbraw/zinc/47/01/29/1021470129.db2.gz VCTRMBNDXYSVTC-VGMNWLOBSA-N -1 0 306.330 -0.345 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001590359697 1021471372 /nfs/dbraw/zinc/47/13/72/1021471372.db2.gz IGUOPJDJPIZFPM-DTORHVGOSA-N -1 0 314.338 -0.052 20 0 DBADRM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)C[C@H]1CC(=O)N1 ZINC001590340859 1021472416 /nfs/dbraw/zinc/47/24/16/1021472416.db2.gz FHNVFAQKQUKIJS-BDAKNGLRSA-N -1 0 314.338 -0.044 20 0 DBADRM C[C@H]1OCC[C@]1(C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590335837 1021474913 /nfs/dbraw/zinc/47/49/13/1021474913.db2.gz OUHSPWRVVVFGNT-PELKAZGASA-N -1 0 321.345 -0.675 20 0 DBADRM CC[C@@H](CCO)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590438714 1021485149 /nfs/dbraw/zinc/48/51/49/1021485149.db2.gz HVOUSSUZOQTWFH-ZETCQYMHSA-N -1 0 309.330 -0.514 20 0 DBADRM CC[C@@H](C)CONC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590411191 1021485504 /nfs/dbraw/zinc/48/55/04/1021485504.db2.gz VBNGYMZUEUKAMC-MRVPVSSYSA-N -1 0 309.334 -0.265 20 0 DBADRM CC[C@@H](C[C@@H](C)O)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001590420747 1021486189 /nfs/dbraw/zinc/48/61/89/1021486189.db2.gz BATIZKVEKYHWBE-SFYZADRCSA-N -1 0 323.357 -0.775 20 0 DBADRM CCC(CC)(CCO)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590427037 1021489004 /nfs/dbraw/zinc/48/90/04/1021489004.db2.gz PCJQGIOTNJNANI-UHFFFAOYSA-N -1 0 308.346 -0.484 20 0 DBADRM CC[C@H](C)CC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590404346 1021490010 /nfs/dbraw/zinc/49/00/10/1021490010.db2.gz NQDLCVVMCNZZGU-QMMMGPOBSA-N -1 0 321.341 -0.319 20 0 DBADRM CC[C@@H](C)N(OC)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590412284 1021490188 /nfs/dbraw/zinc/49/01/88/1021490188.db2.gz NILZZJWUAZSUFQ-SSDOTTSWSA-N -1 0 323.313 -0.683 20 0 DBADRM CC[C@@H](CO)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001590448807 1021495603 /nfs/dbraw/zinc/49/56/03/1021495603.db2.gz LIVYJTRPADTEFH-JTQLQIEISA-N -1 0 320.353 -0.012 20 0 DBADRM CC[C@H]1CN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001590516377 1021506286 /nfs/dbraw/zinc/50/62/86/1021506286.db2.gz FERIJQWTCBXNRB-BDAKNGLRSA-N -1 0 306.330 -0.343 20 0 DBADRM CC[C@H]1CC[C@H](C(=O)NCCn2cnc(-c3nnn[n-]3)n2)O1 ZINC001590504997 1021506643 /nfs/dbraw/zinc/50/66/43/1021506643.db2.gz NUQFTFQEPACGMC-DTWKUNHWSA-N -1 0 306.330 -0.468 20 0 DBADRM CCC1(NC(=O)CCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC1 ZINC001590495562 1021507021 /nfs/dbraw/zinc/50/70/21/1021507021.db2.gz JJRVBYXBDSHPHE-UHFFFAOYSA-N -1 0 319.325 -0.422 20 0 DBADRM CC[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@@H](CC)CO1 ZINC001590517591 1021507897 /nfs/dbraw/zinc/50/78/97/1021507897.db2.gz GCBDEHUIONNKTL-UWVGGRQHSA-N -1 0 320.357 -0.126 20 0 DBADRM CC[C@]1(CO)CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590495440 1021508200 /nfs/dbraw/zinc/50/82/00/1021508200.db2.gz FNBAMRNRICDBIM-ZDUSSCGKSA-N -1 0 320.357 -0.531 20 0 DBADRM CC[C@]1(Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CCOC1 ZINC001590497274 1021508841 /nfs/dbraw/zinc/50/88/41/1021508841.db2.gz GCAFMSMBFKXWFC-LBPRGKRZSA-N -1 0 307.314 -0.353 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)[C@H](C)O ZINC001590470057 1021510824 /nfs/dbraw/zinc/51/08/24/1021510824.db2.gz OTEZTKVWGGERLT-YUMQZZPRSA-N -1 0 312.355 -0.301 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cncc(-c2nn[nH]n2)c1)C(=O)[O-] ZINC001590471259 1021511235 /nfs/dbraw/zinc/51/12/35/1021511235.db2.gz ALGWKXQROVRJNJ-MRVPVSSYSA-N -1 0 312.311 -0.597 20 0 DBADRM CCC[C@H](CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)OC ZINC001590557874 1021514067 /nfs/dbraw/zinc/51/40/67/1021514067.db2.gz URUDVQBNIOZFAR-DTWKUNHWSA-N -1 0 308.346 -0.050 20 0 DBADRM CC(C)(C)n1cc(NC(=O)C(=O)NCCOCC(=O)[O-])cn1 ZINC001590593919 1021519416 /nfs/dbraw/zinc/51/94/16/1021519416.db2.gz WDAWNAZSQRMLQB-UHFFFAOYSA-N -1 0 312.326 -0.206 20 0 DBADRM CC[C@H]1CCN1C(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590518721 1021521113 /nfs/dbraw/zinc/52/11/13/1021521113.db2.gz YFCAHWQAKLQNBQ-QMMMGPOBSA-N -1 0 319.325 -0.470 20 0 DBADRM CC(C)(C)n1ncnc1CNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001590605312 1021523998 /nfs/dbraw/zinc/52/39/98/1021523998.db2.gz XDYICIKQSUVMHJ-KYZUINATSA-N -1 0 323.353 -0.371 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)NC2(C(=O)[O-])CCOCC2)n1 ZINC001590609634 1021526109 /nfs/dbraw/zinc/52/61/09/1021526109.db2.gz NJNHTMFCSRXQLB-UHFFFAOYSA-N -1 0 311.342 -0.279 20 0 DBADRM CC(C)(CC(=O)[O-])CC(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001590627827 1021526727 /nfs/dbraw/zinc/52/67/27/1021526727.db2.gz MTAIJZUSCUDOBC-OAHLLOKOSA-N -1 0 314.382 -0.217 20 0 DBADRM CCCNC(=O)NC(=O)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001590638157 1021532421 /nfs/dbraw/zinc/53/24/21/1021532421.db2.gz GWFSXIPHLRFBHL-UHFFFAOYSA-N -1 0 305.298 -0.736 20 0 DBADRM CCCS(=O)(=O)[N-]c1nc2n(c1-c1nn[nH]n1)CCOC2 ZINC001590650066 1021538514 /nfs/dbraw/zinc/53/85/14/1021538514.db2.gz CQGMPYWHPDZKFZ-UHFFFAOYSA-N -1 0 313.343 -0.255 20 0 DBADRM CC(C)(CCNC(=O)Nc1ccc(=O)n(CC(N)=O)c1)C(=O)[O-] ZINC001590679425 1021542231 /nfs/dbraw/zinc/54/22/31/1021542231.db2.gz FYRFBQLBZKFCEK-UHFFFAOYSA-N -1 0 324.337 -0.044 20 0 DBADRM CCN(CC)C(=O)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590683776 1021542740 /nfs/dbraw/zinc/54/27/40/1021542740.db2.gz BXNOHFGPRMYXKX-QMMMGPOBSA-N -1 0 321.345 -0.996 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC001517123984 1021554516 /nfs/dbraw/zinc/55/45/16/1021554516.db2.gz DBCQUTJKXJTQPH-SECBINFHSA-N -1 0 307.306 -0.406 20 0 DBADRM CCN1CCCN(Cn2cccc(-c3nnn[n-]3)c2=O)CC1=O ZINC001590732016 1021557805 /nfs/dbraw/zinc/55/78/05/1021557805.db2.gz HYBZIOUIAQIIQE-UHFFFAOYSA-N -1 0 317.353 -0.460 20 0 DBADRM CC(C)(CNC(=O)c1cccc(C(=O)[O-])n1)CS(N)(=O)=O ZINC001590750373 1021568424 /nfs/dbraw/zinc/56/84/24/1021568424.db2.gz KGGBDMUAZDJMSZ-UHFFFAOYSA-N -1 0 315.351 -0.176 20 0 DBADRM CC(C)(CNS(C)(=O)=O)NC(=O)NC1CC(CC(=O)[O-])C1 ZINC001590774354 1021574006 /nfs/dbraw/zinc/57/40/06/1021574006.db2.gz SDOSYQOLMOELFP-UHFFFAOYSA-N -1 0 321.399 -0.133 20 0 DBADRM CCOC(=O)CCN(C)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590761754 1021579034 /nfs/dbraw/zinc/57/90/34/1021579034.db2.gz DLHFPAROKYKKAV-MRVPVSSYSA-N -1 0 322.329 -0.569 20 0 DBADRM CC(C)(CNS(N)(=O)=O)NC(=O)c1ccc(C(=O)[O-])s1 ZINC001590774351 1021579138 /nfs/dbraw/zinc/57/91/38/1021579138.db2.gz SBMMVVMKIGDEOC-UHFFFAOYSA-N -1 0 321.380 -0.252 20 0 DBADRM CCOCC(=O)COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590796792 1021580942 /nfs/dbraw/zinc/58/09/42/1021580942.db2.gz CGPZUCOSFCQBNP-SSDOTTSWSA-N -1 0 309.286 -0.832 20 0 DBADRM CC(=O)N1CCC[C@@H](N(CCO)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001520064827 1021581694 /nfs/dbraw/zinc/58/16/94/1021581694.db2.gz WTIXENXLPXTAGM-LLVKDONJSA-N -1 0 310.354 -0.131 20 0 DBADRM CC(C)(CS(=O)(=O)N(CCO)C1CCOCC1)C(=O)[O-] ZINC001590788378 1021583456 /nfs/dbraw/zinc/58/34/56/1021583456.db2.gz AIZYMGNJEYANCK-UHFFFAOYSA-N -1 0 309.384 -0.100 20 0 DBADRM CC(C)(CS(=O)(=O)N1CC[C@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC001590789342 1021584057 /nfs/dbraw/zinc/58/40/57/1021584057.db2.gz SEZXJXODGZYBIR-QMMMGPOBSA-N -1 0 313.397 -0.454 20 0 DBADRM CCOCC(=O)COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590796793 1021584742 /nfs/dbraw/zinc/58/47/42/1021584742.db2.gz CGPZUCOSFCQBNP-ZETCQYMHSA-N -1 0 309.286 -0.832 20 0 DBADRM CCOCC(=O)N(C)CCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001590797349 1021585457 /nfs/dbraw/zinc/58/54/57/1021585457.db2.gz QLMRUFPRPCKVKN-UHFFFAOYSA-N -1 0 320.357 -0.625 20 0 DBADRM CC(C)(CS(=O)(=O)N[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001590802501 1021587260 /nfs/dbraw/zinc/58/72/60/1021587260.db2.gz AKLXRPVSQSPKJW-MRVPVSSYSA-N -1 0 304.368 -0.220 20 0 DBADRM CC(C)(CS(=O)(=O)N[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001590802502 1021588739 /nfs/dbraw/zinc/58/87/39/1021588739.db2.gz AKLXRPVSQSPKJW-QMMMGPOBSA-N -1 0 304.368 -0.220 20 0 DBADRM CCOCCN(CC)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590812736 1021590387 /nfs/dbraw/zinc/59/03/87/1021590387.db2.gz KFFBTGSMFYHFHR-SECBINFHSA-N -1 0 308.346 -0.096 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC001590819377 1021594252 /nfs/dbraw/zinc/59/42/52/1021594252.db2.gz QXRWAUOZDLNYKR-UHFFFAOYSA-N -1 0 318.337 -0.017 20 0 DBADRM CC(C)(NC(=O)CN1C(=O)CCC1=O)c1cc(C(=O)[O-])on1 ZINC001590844959 1021594970 /nfs/dbraw/zinc/59/49/70/1021594970.db2.gz SYNNQHBUDRTDEC-UHFFFAOYSA-N -1 0 309.278 -0.127 20 0 DBADRM CCO[C@@H]1CCC[C@H]1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590819327 1021596719 /nfs/dbraw/zinc/59/67/19/1021596719.db2.gz JPLJYRYZHBGJTI-RKDXNWHRSA-N -1 0 306.330 -0.468 20 0 DBADRM CC(C)(F)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001590827436 1021597186 /nfs/dbraw/zinc/59/71/86/1021597186.db2.gz VZAYUBXGOVQEDI-BDAKNGLRSA-N -1 0 304.318 -0.608 20 0 DBADRM CC(C)(NS(=O)(=O)CCC[C@@H]1CCOC1)[C@@H](O)C(=O)[O-] ZINC001590874645 1021600433 /nfs/dbraw/zinc/60/04/33/1021600433.db2.gz JYBQSGATWVZGDG-ZJUUUORDSA-N -1 0 309.384 -0.053 20 0 DBADRM CC[C@@H]1OCC[C@H]1NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590861672 1021600781 /nfs/dbraw/zinc/60/07/81/1021600781.db2.gz QROPSBUMGZTQEW-YIZRAAEISA-N -1 0 306.330 -0.297 20 0 DBADRM CC(C)(NC(=O)Cn1ccc(=O)[nH]c1=O)c1cc(C(=O)[O-])on1 ZINC001590848345 1021601360 /nfs/dbraw/zinc/60/13/60/1021601360.db2.gz AIARGAMTRSLNBQ-UHFFFAOYSA-N -1 0 322.277 -0.313 20 0 DBADRM CC(C)(O)CCNC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001590898150 1021605325 /nfs/dbraw/zinc/60/53/25/1021605325.db2.gz GOKAUJXQJVBMPB-AWEZNQCLSA-N -1 0 300.355 -0.023 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001590881156 1021604791 /nfs/dbraw/zinc/60/47/91/1021604791.db2.gz XDEQTJRGJPSUFC-KYXWUPHJSA-N -1 0 318.395 -0.070 20 0 DBADRM CC(C)(O)CC(=O)N1CCC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001590893399 1021604835 /nfs/dbraw/zinc/60/48/35/1021604835.db2.gz HJGPHJKOBXDWMA-WDEREUQCSA-N -1 0 312.366 -0.025 20 0 DBADRM CC(C)(O)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001590893079 1021605661 /nfs/dbraw/zinc/60/56/61/1021605661.db2.gz CWFUPVKDFJUKJG-NAKRPEOUSA-N -1 0 312.366 -0.121 20 0 DBADRM CC(C)(O)CC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001590893354 1021606489 /nfs/dbraw/zinc/60/64/89/1021606489.db2.gz FMGNOQHUSDMJBD-SECBINFHSA-N -1 0 308.338 -0.230 20 0 DBADRM CC(C)=C(C)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001590912108 1021608007 /nfs/dbraw/zinc/60/80/07/1021608007.db2.gz DBCDHYRTKVHYQO-UWVGGRQHSA-N -1 0 309.322 -0.051 20 0 DBADRM CCc1ncsc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590928475 1021612086 /nfs/dbraw/zinc/61/20/86/1021612086.db2.gz WSYGPSVORHBADE-UHFFFAOYSA-N -1 0 319.354 -0.093 20 0 DBADRM CC(C)C(=O)N1CCC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001590931577 1021612481 /nfs/dbraw/zinc/61/24/81/1021612481.db2.gz HUXWYRUNOQKYKS-WDEREUQCSA-N -1 0 312.366 -0.167 20 0 DBADRM CC(C)=CC(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001590912495 1021613173 /nfs/dbraw/zinc/61/31/73/1021613173.db2.gz LGTQQDDDHHWNEG-MNOVXSKESA-N -1 0 310.350 -0.247 20 0 DBADRM CCn1ccnc1[C@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590961226 1021613931 /nfs/dbraw/zinc/61/39/31/1021613931.db2.gz RIZCPIYOJVCPLC-QMMMGPOBSA-N -1 0 316.329 -0.448 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cccnc2C)c1=O ZINC001590949743 1021615140 /nfs/dbraw/zinc/61/51/40/1021615140.db2.gz PRCSTCIVHTZWDX-UHFFFAOYSA-N -1 0 313.321 -0.038 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)c2ccoc2)c1=O ZINC001590949226 1021615571 /nfs/dbraw/zinc/61/55/71/1021615571.db2.gz CYEIXPACWPQJKK-UHFFFAOYSA-N -1 0 316.277 -0.314 20 0 DBADRM CC(C)C(=O)NCCN(C)CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001590940181 1021615912 /nfs/dbraw/zinc/61/59/12/1021615912.db2.gz SQCWQHXITSPYIT-LBPRGKRZSA-N -1 0 301.387 -0.084 20 0 DBADRM CC(C)C(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O ZINC001590939157 1021616745 /nfs/dbraw/zinc/61/67/45/1021616745.db2.gz VUMYZYYTFJMOFY-QWRGUYRKSA-N -1 0 308.338 -0.113 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2CC[C@H](C)O2)c1=O ZINC001590950090 1021617756 /nfs/dbraw/zinc/61/77/56/1021617756.db2.gz QKIAANVRSGTBBF-DTWKUNHWSA-N -1 0 306.326 -0.223 20 0 DBADRM CC(C)[C@H](C)N(C)C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001590970111 1021619419 /nfs/dbraw/zinc/61/94/19/1021619419.db2.gz OEEMIUQWYUSVDJ-JTQLQIEISA-N -1 0 315.370 -0.414 20 0 DBADRM CC(C)[C@@H](CCO)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001590980441 1021619513 /nfs/dbraw/zinc/61/95/13/1021619513.db2.gz DNPZSGANNURTHR-GHMZBOCLSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@](C)(NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C(N)=O ZINC001590969138 1021620470 /nfs/dbraw/zinc/62/04/70/1021620470.db2.gz XXEFENZHWVHCQQ-XPTSAGLGSA-N -1 0 313.354 -0.674 20 0 DBADRM CCn1ncc(C(=O)COc2cnc(-c3nnn[n-]3)nc2)n1 ZINC001590965730 1021621139 /nfs/dbraw/zinc/62/11/39/1021621139.db2.gz HOFKCGVMDUSLSC-UHFFFAOYSA-N -1 0 301.270 -0.470 20 0 DBADRM CC(C)[C@@](C)(CO)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001590968316 1021622177 /nfs/dbraw/zinc/62/21/77/1021622177.db2.gz PALQXBQOEVEVJY-MWODSPESSA-N -1 0 303.359 -0.330 20 0 DBADRM CC(C)[C@H](CNC(=O)NCCOCC(=O)[O-])N1CCOCC1 ZINC001590983243 1021624889 /nfs/dbraw/zinc/62/48/89/1021624889.db2.gz GCSOOJIJAOEEQU-LBPRGKRZSA-N -1 0 317.386 -0.256 20 0 DBADRM CN(C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)[C@@H]1COC[C@H]1O ZINC001590992226 1021627078 /nfs/dbraw/zinc/62/70/78/1021627078.db2.gz IGGZJAKMASOVSO-MWLCHTKSSA-N -1 0 305.294 -0.596 20 0 DBADRM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001591019481 1021634838 /nfs/dbraw/zinc/63/48/38/1021634838.db2.gz OCGFNWSJUKBTEA-WDEREUQCSA-N -1 0 309.322 -0.602 20 0 DBADRM CC(F)(F)C(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001522486624 1021726894 /nfs/dbraw/zinc/72/68/94/1021726894.db2.gz JPTXYWPLIZSSNQ-UHFFFAOYSA-N -1 0 313.264 -0.476 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)c1cccs1 ZINC001522498664 1021734402 /nfs/dbraw/zinc/73/44/02/1021734402.db2.gz DOTDULBHFYFDPV-UHFFFAOYSA-N -1 0 311.323 -0.703 20 0 DBADRM CC1CC(C(=O)NCCNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001522577291 1021795925 /nfs/dbraw/zinc/79/59/25/1021795925.db2.gz AXHOQLVCIKLMAS-UHFFFAOYSA-N -1 0 308.338 -0.622 20 0 DBADRM O=C(CCCC1CC1)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001522782459 1021866115 /nfs/dbraw/zinc/86/61/15/1021866115.db2.gz KLJDAPHZQAWWDJ-UHFFFAOYSA-N -1 0 311.342 -0.498 20 0 DBADRM C/C(=C\C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001522844307 1021882647 /nfs/dbraw/zinc/88/26/47/1021882647.db2.gz LNEVPILIAUVYEG-BQYQJAHWSA-N -1 0 321.337 -0.125 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCNC(=O)C1CC=CC1 ZINC001522868308 1021891938 /nfs/dbraw/zinc/89/19/38/1021891938.db2.gz ZVRZYQKCISFABH-UHFFFAOYSA-N -1 0 309.326 -0.722 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001523342978 1022042282 /nfs/dbraw/zinc/04/22/82/1022042282.db2.gz JBDQRSDGWJQWNU-YUMQZZPRSA-N -1 0 309.326 -0.483 20 0 DBADRM CC/C=C(\C)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001524212910 1022213256 /nfs/dbraw/zinc/21/32/56/1022213256.db2.gz NFCVPMCAXJXLIG-LLGDCAAFSA-N -1 0 323.353 -0.237 20 0 DBADRM CCCCC(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001524206819 1022213813 /nfs/dbraw/zinc/21/38/13/1022213813.db2.gz CGNPGOYZPHODNT-QMMMGPOBSA-N -1 0 309.326 -0.196 20 0 DBADRM CC(C)C(=O)NC[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001524338389 1022243096 /nfs/dbraw/zinc/24/30/96/1022243096.db2.gz IVBSCVQDUGXHHO-NSHDSACASA-N -1 0 322.365 -0.234 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2cc[n+]([O-])cc2)c1[O-] ZINC001526364953 1022485663 /nfs/dbraw/zinc/48/56/63/1022485663.db2.gz AXNSLHYYZJYFAV-MRVPVSSYSA-N -1 0 319.321 -0.395 20 0 DBADRM C/C=C(\C)C(=O)NC[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001526486818 1022509730 /nfs/dbraw/zinc/50/97/30/1022509730.db2.gz DJFHIUPFMJJCKC-WHXYTISESA-N -1 0 308.338 -0.313 20 0 DBADRM CC(=O)N1CC(C(=O)NC[C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001526520936 1022518287 /nfs/dbraw/zinc/51/82/87/1022518287.db2.gz CNQQOLVPWUPYGR-SSDOTTSWSA-N -1 0 323.353 -0.863 20 0 DBADRM COC[C@@H](NC(=O)Cn1c2ccccc2[nH]c1=O)c1nnn[n-]1 ZINC001558339220 1023955492 /nfs/dbraw/zinc/95/54/92/1023955492.db2.gz AJOTVZPRTUOGJM-SECBINFHSA-N -1 0 317.309 -0.241 20 0 DBADRM CO[N-]C(=O)CNC(=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC001558637159 1023965801 /nfs/dbraw/zinc/96/58/01/1023965801.db2.gz MLMZCQBUQLIKEE-UHFFFAOYSA-N -1 0 320.349 -0.272 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC001561460769 1024011317 /nfs/dbraw/zinc/01/13/17/1024011317.db2.gz WZYOUVQYPQEUKI-UHFFFAOYSA-N -1 0 301.328 -0.930 20 0 DBADRM CCON(C)C(=O)CNS(=O)(=O)c1cc(OC)ns1 ZINC001561715789 1024014021 /nfs/dbraw/zinc/01/40/21/1024014021.db2.gz ITUFTVATDJSUCK-UHFFFAOYSA-N -1 0 309.369 -0.160 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cc(F)cc(C(=O)OC)c1 ZINC001561981772 1024018821 /nfs/dbraw/zinc/01/88/21/1024018821.db2.gz HNXYHSTYUJFTRH-UHFFFAOYSA-N -1 0 320.298 -0.432 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1cccc(OCC(N)=O)c1 ZINC001564205338 1024033048 /nfs/dbraw/zinc/03/30/48/1024033048.db2.gz BBVJRLXERBWGHY-UHFFFAOYSA-N -1 0 310.310 -0.973 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCCNC(=O)c1occc1C ZINC001565420418 1024054208 /nfs/dbraw/zinc/05/42/08/1024054208.db2.gz CQHFYCHTVKWADV-UHFFFAOYSA-N -1 0 312.326 -0.315 20 0 DBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)Cn1ncnn1 ZINC001565711651 1024063248 /nfs/dbraw/zinc/06/32/48/1024063248.db2.gz LRYDZOKAUNULSV-UHFFFAOYSA-N -1 0 302.298 -0.645 20 0 DBADRM C[C@@H](NCc1cc(=O)[nH]c(CNC(=O)C2CC=CC2)n1)C(N)=O ZINC001565989782 1024098060 /nfs/dbraw/zinc/09/80/60/1024098060.db2.gz VVUNGCQJWOHKPG-SECBINFHSA-N -1 0 319.365 -0.272 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CCCCC(N)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001566108786 1024131701 /nfs/dbraw/zinc/13/17/01/1024131701.db2.gz MDJSFOILZRDCFT-ZJUUUORDSA-N -1 0 324.385 -0.365 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)CN1CCCCC(=O)C1=O ZINC001566209247 1024145171 /nfs/dbraw/zinc/14/51/71/1024145171.db2.gz BSBPCIGPNVWNFQ-UHFFFAOYSA-N -1 0 308.294 -0.284 20 0 DBADRM CN(CCCNC(=O)C[C@H]1CCN(C)C1=O)Cc1n[nH]c(=O)[n-]1 ZINC001566463997 1024186445 /nfs/dbraw/zinc/18/64/45/1024186445.db2.gz SEIUMPWRQKVZDA-SNVBAGLBSA-N -1 0 324.385 -0.683 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ccon1 ZINC001566470853 1024191457 /nfs/dbraw/zinc/19/14/57/1024191457.db2.gz BCFLITXNLKIDLO-UHFFFAOYSA-N -1 0 308.298 -0.477 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N=c3nc[nH]n3C)cc2=O)n1 ZINC001566667351 1024329147 /nfs/dbraw/zinc/32/91/47/1024329147.db2.gz GSWOTZWQFANWEJ-UHFFFAOYSA-N -1 0 314.309 -0.625 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1cccnc1Cl ZINC001567527878 1024771341 /nfs/dbraw/zinc/77/13/41/1024771341.db2.gz BAONKRRQDNSRFB-UHFFFAOYSA-N -1 0 319.770 -0.140 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)[N-]OC[C@@H]1CCOC1)c2=O ZINC001567749258 1024817286 /nfs/dbraw/zinc/81/72/86/1024817286.db2.gz VFVNELZJZAATCD-SECBINFHSA-N -1 0 306.322 -0.030 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)NCCc1n[n-]c(=S)o1 ZINC001567853447 1024834417 /nfs/dbraw/zinc/83/44/17/1024834417.db2.gz YLWSNGLZSFUXDI-UHFFFAOYSA-N -1 0 312.351 -0.054 20 0 DBADRM COCCO[N-]C(=O)CNc1ccc(S(N)(=O)=O)cc1F ZINC001568534679 1024924956 /nfs/dbraw/zinc/92/49/56/1024924956.db2.gz VPRFPDPRCLWTQA-UHFFFAOYSA-N -1 0 321.330 -0.421 20 0 DBADRM Cc1cnc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cn1 ZINC001568810931 1025023055 /nfs/dbraw/zinc/02/30/55/1025023055.db2.gz SFMLDLBGOIIECY-NSCUHMNNSA-N -1 0 303.326 -0.315 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)Cc2nnc[nH]2)ccc1[O-] ZINC001568824321 1025028589 /nfs/dbraw/zinc/02/85/89/1025028589.db2.gz GSAUGVNVDJFRGK-UHFFFAOYSA-N -1 0 311.323 -0.400 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)[N-]OC(C)(C)CO ZINC001569244059 1025182088 /nfs/dbraw/zinc/18/20/88/1025182088.db2.gz YWASQUCDUNIOSE-MWLCHTKSSA-N -1 0 302.371 -0.139 20 0 DBADRM CC(C)C[C@H](C(N)=O)C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001569387482 1025231008 /nfs/dbraw/zinc/23/10/08/1025231008.db2.gz NSYOVCSKPHKPBA-NXEZZACHSA-N -1 0 324.385 -0.652 20 0 DBADRM Cn1ncc(CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)n1 ZINC001569411520 1025242006 /nfs/dbraw/zinc/24/20/06/1025242006.db2.gz ZOOBTJGVDQSPJA-UHFFFAOYSA-N -1 0 315.293 -0.675 20 0 DBADRM Cn1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)c2ccccc2c1=O ZINC001569827519 1025373174 /nfs/dbraw/zinc/37/31/74/1025373174.db2.gz RMSLGVQRISARPZ-UHFFFAOYSA-N -1 0 301.262 -0.075 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cccc(Cn2ccnn2)c1 ZINC001569827414 1025373189 /nfs/dbraw/zinc/37/31/89/1025373189.db2.gz NDTQTNQKWWZVIP-UHFFFAOYSA-N -1 0 301.266 -0.287 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1c[nH]c2ncncc12)C(=O)[O-] ZINC001571070377 1025808156 /nfs/dbraw/zinc/80/81/56/1025808156.db2.gz ZNNHJOROQLOWOM-JTQLQIEISA-N -1 0 300.296 -0.977 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(c2cnc(C(=O)[O-])cn2)C1 ZINC001571072155 1025808402 /nfs/dbraw/zinc/80/84/02/1025808402.db2.gz MTHLMTHPFONLIN-MRVPVSSYSA-N -1 0 300.340 -0.450 20 0 DBADRM COC(=O)C[C@@H](CNC(=O)N1CC(O)(C(=O)[O-])C1)C1CC1 ZINC001571070279 1025808752 /nfs/dbraw/zinc/80/87/52/1025808752.db2.gz XHIWYCRMMAEEQN-VIFPVBQESA-N -1 0 300.311 -0.583 20 0 DBADRM O=C([O-])c1cc(N2CCS(=O)(=O)C[C@@H]2CCO)ncn1 ZINC001571074389 1025810504 /nfs/dbraw/zinc/81/05/04/1025810504.db2.gz JAECHKNMVPHGQE-QMMMGPOBSA-N -1 0 301.324 -0.839 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CC[C@H](O)[C@@H](CO)C2)C1 ZINC001571074332 1025810823 /nfs/dbraw/zinc/81/08/23/1025810823.db2.gz GXEDVWSLDVLXDT-QCNOEVLYSA-N -1 0 301.339 -0.542 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(c2cnc(C(=O)[O-])cn2)C1 ZINC001571072367 1025810956 /nfs/dbraw/zinc/81/09/56/1025810956.db2.gz UZSRGYWKCMFJET-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cn(C(F)(F)CO)nn3)C[C@@H]21 ZINC001571074001 1025811536 /nfs/dbraw/zinc/81/15/36/1025811536.db2.gz CJVHQSWNMSAPDB-BDINMYNLSA-N -1 0 302.237 -0.778 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@@H](CO)c2cccnc2)C1 ZINC001571072266 1025811726 /nfs/dbraw/zinc/81/17/26/1025811726.db2.gz QSNAVFULZXTZGY-AXFHLTTASA-N -1 0 300.336 -0.102 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N[C@@H]1CCCCNC1=O ZINC001571076834 1025812388 /nfs/dbraw/zinc/81/23/88/1025812388.db2.gz MVEGSVDHNMQRPL-MRVPVSSYSA-N -1 0 302.308 -0.075 20 0 DBADRM NC(=O)CC1CC(NS(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001571076460 1025812705 /nfs/dbraw/zinc/81/27/05/1025812705.db2.gz DGAMTAKIEHFMQM-UHFFFAOYSA-N -1 0 302.308 -0.090 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC001571075385 1025812822 /nfs/dbraw/zinc/81/28/22/1025812822.db2.gz WKOVEMLRGDGOIA-FKQCQYRASA-N -1 0 301.324 -0.735 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)COc1ccsn1 ZINC001571075373 1025813450 /nfs/dbraw/zinc/81/34/50/1025813450.db2.gz WEIGAIYNZSZSGK-UHFFFAOYSA-N -1 0 301.324 -0.381 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001571077209 1025813620 /nfs/dbraw/zinc/81/36/20/1025813620.db2.gz WGWICTALDFZQRT-SVRRBLITSA-N -1 0 302.308 -0.172 20 0 DBADRM C[C@@H]1CN(C(=O)C2=CS(=O)(=O)CCC2)C[C@@H](C(=O)[O-])O1 ZINC001571079226 1025814190 /nfs/dbraw/zinc/81/41/90/1025814190.db2.gz BHNZVQUMJIGZSS-SCZZXKLOSA-N -1 0 303.336 -0.221 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)C[C@H]2C=CS(=O)(=O)C2)CCOC1 ZINC001571079889 1025814976 /nfs/dbraw/zinc/81/49/76/1025814976.db2.gz MEBFOIDZEMGBAI-SKDRFNHKSA-N -1 0 303.336 -0.458 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)c1cnn(C2CCC2)c1 ZINC001571080176 1025815081 /nfs/dbraw/zinc/81/50/81/1025815081.db2.gz NUBCPOINPCTWFL-VIFPVBQESA-N -1 0 303.340 -0.278 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC(C3CS(=O)(=O)C3)C2)O1 ZINC001571080314 1025815307 /nfs/dbraw/zinc/81/53/07/1025815307.db2.gz QANYRMFKSOIRMK-ZJUUUORDSA-N -1 0 303.336 -0.878 20 0 DBADRM CCCc1nc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])no1 ZINC001571079812 1025815328 /nfs/dbraw/zinc/81/53/28/1025815328.db2.gz JESUBFLVMQJNIX-MRVPVSSYSA-N -1 0 303.340 -0.294 20 0 DBADRM Cn1nccc1S(=O)(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001571079968 1025815336 /nfs/dbraw/zinc/81/53/36/1025815336.db2.gz QYBZDPULGSRSQR-SECBINFHSA-N -1 0 302.356 -0.943 20 0 DBADRM O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1C(=O)Cn1cnnn1 ZINC001571079635 1025815687 /nfs/dbraw/zinc/81/56/87/1025815687.db2.gz LMQVIMRNUVANLL-NSHDSACASA-N -1 0 303.278 -0.583 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)NCCN(C)C(=O)[O-] ZINC001571080273 1025815793 /nfs/dbraw/zinc/81/57/93/1025815793.db2.gz UCGXVVLBOUJKIT-KRWDZBQOSA-N -1 0 302.378 -0.995 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1 ZINC001571080629 1025816274 /nfs/dbraw/zinc/81/62/74/1025816274.db2.gz UANRESUCEQRRDQ-LPEHRKFASA-N -1 0 303.311 -0.751 20 0 DBADRM C[C@](CNC(=O)Cn1nnc(N)n1)(C(=O)[O-])c1ccccc1 ZINC001571084437 1025816529 /nfs/dbraw/zinc/81/65/29/1025816529.db2.gz DTFMJMBCGNKJHR-CYBMUJFWSA-N -1 0 304.310 -0.586 20 0 DBADRM NC(=O)c1cc(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)c[nH]1 ZINC001571080700 1025817527 /nfs/dbraw/zinc/81/75/27/1025817527.db2.gz ZZULIRPRSLPCLE-UHFFFAOYSA-N -1 0 303.278 -0.226 20 0 DBADRM CC[C@@H](NC(=O)NCCC(=O)NCCC(=O)[O-])C(C)(C)O ZINC001571081558 1025817548 /nfs/dbraw/zinc/81/75/48/1025817548.db2.gz LSQMMQOLHCZZKS-SECBINFHSA-N -1 0 303.359 -0.184 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1cnn(CC2CC2)c1 ZINC001571084357 1025817640 /nfs/dbraw/zinc/81/76/40/1025817640.db2.gz ARTPRHYFSNLGGC-NSHDSACASA-N -1 0 304.310 -0.232 20 0 DBADRM C[C@@](CO)(NC(=O)c1cn(Cc2ccccn2)nn1)C(=O)[O-] ZINC001571084587 1025818595 /nfs/dbraw/zinc/81/85/95/1025818595.db2.gz LWRRASXRUVSMEF-ZDUSSCGKSA-N -1 0 305.294 -0.713 20 0 DBADRM Cn1ccc(NC(=O)CCCn2ccc(C(=O)[O-])n2)nc1=O ZINC001571085320 1025818785 /nfs/dbraw/zinc/81/87/85/1025818785.db2.gz ZKFQLUJAMOWXLG-UHFFFAOYSA-N -1 0 305.294 -0.072 20 0 DBADRM COCCn1cc(C(=O)NCc2ccnc(C(=O)[O-])c2)nn1 ZINC001571085261 1025819157 /nfs/dbraw/zinc/81/91/57/1025819157.db2.gz XXRYXQWBCWWPDQ-UHFFFAOYSA-N -1 0 305.294 -0.052 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001571086475 1025821784 /nfs/dbraw/zinc/82/17/84/1025821784.db2.gz PJXURAILOAVRQS-LPEHRKFASA-N -1 0 304.368 -0.363 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)NCc3cccnn3)C2)C1 ZINC001571085279 1025819700 /nfs/dbraw/zinc/81/97/00/1025819700.db2.gz YNJIMBHZFSMJRZ-CYBMUJFWSA-N -1 0 305.294 -0.008 20 0 DBADRM C[C@](CO)(NC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12)C(=O)[O-] ZINC001571085045 1025819736 /nfs/dbraw/zinc/81/97/36/1025819736.db2.gz KXYJQXHNKDRDFS-AMFBXLIHSA-N -1 0 304.302 -0.152 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001571085692 1025819802 /nfs/dbraw/zinc/81/98/02/1025819802.db2.gz CFEXOWGXEXJFGB-AEJSXWLSSA-N -1 0 304.368 -0.363 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)c2cccnn2)C1 ZINC001571086091 1025820361 /nfs/dbraw/zinc/82/03/61/1025820361.db2.gz WSZVTMLCNZYVFH-AATLWQCWSA-N -1 0 304.306 -0.426 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001571086024 1025820652 /nfs/dbraw/zinc/82/06/52/1025820652.db2.gz GNAQILOLNRKJPT-DTWKUNHWSA-N -1 0 304.368 -0.185 20 0 DBADRM CN(C)c1noc(CNS(=O)(=O)CC2(C(=O)[O-])CC2)n1 ZINC001571086752 1025820714 /nfs/dbraw/zinc/82/07/14/1025820714.db2.gz VVXWJEQAJONQTF-UHFFFAOYSA-N -1 0 304.328 -0.580 20 0 DBADRM C[S@@](=N)(=O)N1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001571086349 1025820791 /nfs/dbraw/zinc/82/07/91/1025820791.db2.gz KQAIDVGXKOAFAW-FRUKKLPWSA-N -1 0 304.372 -0.232 20 0 DBADRM C[C@H](c1nc(C(=O)[O-])co1)N1CCN(S(N)(=O)=O)CC1 ZINC001571086478 1025821474 /nfs/dbraw/zinc/82/14/74/1025821474.db2.gz PLNMVWBVVXBVFD-SSDOTTSWSA-N -1 0 304.328 -0.745 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H]1CS(N)(=O)=O ZINC001571086553 1025821635 /nfs/dbraw/zinc/82/16/35/1025821635.db2.gz RXANTAWLLLVTCP-IMSYWVGJSA-N -1 0 304.368 -0.520 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)nn1 ZINC001571085768 1025821697 /nfs/dbraw/zinc/82/16/97/1025821697.db2.gz SNFFZVUFYCFCPC-MUWHJKNJSA-N -1 0 304.253 -0.359 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(Cc2cc3n(n2)CCC3)C1 ZINC001571086032 1025821788 /nfs/dbraw/zinc/82/17/88/1025821788.db2.gz GNQBKSRHSNGYDE-STQMWFEESA-N -1 0 304.350 -0.150 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CCS(=O)(=O)C2CCCC2)C1 ZINC001571088121 1025822648 /nfs/dbraw/zinc/82/26/48/1025822648.db2.gz TYZVGSDBNFHQGI-UHFFFAOYSA-N -1 0 305.352 -0.608 20 0 DBADRM Cc1nn(CCS(=O)(=O)N2CCC[C@H]2C(=O)[O-])c(=O)o1 ZINC001571087582 1025823751 /nfs/dbraw/zinc/82/37/51/1025823751.db2.gz GCYIRNRXTKMENE-QMMMGPOBSA-N -1 0 305.312 -0.976 20 0 DBADRM Cn1c(=O)oc2c1cccc2C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001571093026 1025824214 /nfs/dbraw/zinc/82/42/14/1025824214.db2.gz XQHXAZQMJUUXGP-AWEZNQCLSA-N -1 0 306.274 -0.207 20 0 DBADRM CN1CCN(S(=O)(=O)N2CCCCC[C@@H]2C(=O)[O-])CC1 ZINC001571091502 1025824478 /nfs/dbraw/zinc/82/44/78/1025824478.db2.gz DANRLYOBDMYPPR-LLVKDONJSA-N -1 0 305.400 -0.192 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncc(F)cn3)C[C@H]21 ZINC001571092571 1025824797 /nfs/dbraw/zinc/82/47/97/1025824797.db2.gz SVWVLKTWBXKZLF-XXFSISAASA-N -1 0 306.297 -0.113 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1occ2c1CCOC2 ZINC001571091277 1025824947 /nfs/dbraw/zinc/82/49/47/1025824947.db2.gz CUXZXXDAHPCWIK-JTQLQIEISA-N -1 0 306.278 -0.173 20 0 DBADRM O=C([O-])C(F)(F)CNS(=O)(=O)c1c[nH]c2ncncc12 ZINC001571092742 1025825217 /nfs/dbraw/zinc/82/52/17/1025825217.db2.gz VXPCEURROKZZST-UHFFFAOYSA-N -1 0 306.250 -0.092 20 0 DBADRM Cc1c(Br)cnn1CC(=O)N[C@@H](CO)C(=O)[O-] ZINC001571092008 1025825615 /nfs/dbraw/zinc/82/56/15/1025825615.db2.gz JJAIUWMEGCBQPL-ZETCQYMHSA-N -1 0 306.116 -0.484 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1)C(=O)[O-] ZINC001571096118 1025827730 /nfs/dbraw/zinc/82/77/30/1025827730.db2.gz HMWSICFTOAGOQL-PXIYARARSA-N -1 0 307.368 -0.303 20 0 DBADRM C[C@](CO)(NC(=O)c1ccnc(NC(=O)C2CC2)c1)C(=O)[O-] ZINC001571096681 1025828450 /nfs/dbraw/zinc/82/84/50/1025828450.db2.gz QVPYQGIBMZFGBY-CQSZACIVSA-N -1 0 307.306 -0.005 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N(C)Cc1nnc2c(=O)[nH]ccn12 ZINC001571096363 1025828865 /nfs/dbraw/zinc/82/88/65/1025828865.db2.gz MVJJYVJDFKPOJP-MRVPVSSYSA-N -1 0 307.310 -0.123 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)[O-] ZINC001571097036 1025828875 /nfs/dbraw/zinc/82/88/75/1025828875.db2.gz TZTQTTXYVSPTHP-RKDXNWHRSA-N -1 0 307.372 -0.379 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)NCc1nnc2c(=O)n(C)ccn12 ZINC001571096285 1025829268 /nfs/dbraw/zinc/82/92/68/1025829268.db2.gz KZCYLOGVKGHSEW-QMMMGPOBSA-N -1 0 307.310 -0.455 20 0 DBADRM CN(C)[C@H](C(=O)Nc1n[nH]c(CC(=O)[O-])n1)c1cncn1C ZINC001571096689 1025829324 /nfs/dbraw/zinc/82/93/24/1025829324.db2.gz RJZHIHCKXCEEHL-JTQLQIEISA-N -1 0 307.314 -0.593 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001571098602 1025829849 /nfs/dbraw/zinc/82/98/49/1025829849.db2.gz VTNDZSVLHARFAS-XAVMHZPKSA-N -1 0 308.294 -0.524 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001571098598 1025829881 /nfs/dbraw/zinc/82/98/81/1025829881.db2.gz VTNDZSVLHARFAS-KZVJFYERSA-N -1 0 308.294 -0.524 20 0 DBADRM Cn1nccc1[C@@H](O)CNC(=O)CCc1ocnc1C(=O)[O-] ZINC001571098746 1025830779 /nfs/dbraw/zinc/83/07/79/1025830779.db2.gz XJISWRPZUYRPMX-VIFPVBQESA-N -1 0 308.294 -0.111 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001571098594 1025830817 /nfs/dbraw/zinc/83/08/17/1025830817.db2.gz VTNDZSVLHARFAS-BZNPZCIMSA-N -1 0 308.294 -0.524 20 0 DBADRM COCCn1cc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])nn1 ZINC001571098805 1025831306 /nfs/dbraw/zinc/83/13/06/1025831306.db2.gz ZTQUIXJYUMXOSD-SECBINFHSA-N -1 0 308.298 -0.927 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1C(=O)[O-] ZINC001571100873 1025831899 /nfs/dbraw/zinc/83/18/99/1025831899.db2.gz QMZBERAHUOAMGM-YUMQZZPRSA-N -1 0 309.278 -0.941 20 0 DBADRM COC[C@@H](NC(=O)c1ccsc1S(N)(=O)=O)C(=O)[O-] ZINC001571101501 1025832444 /nfs/dbraw/zinc/83/24/44/1025832444.db2.gz BGAJWQFFCIPRLW-ZCFIWIBFSA-N -1 0 308.337 -0.775 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001571100378 1025832626 /nfs/dbraw/zinc/83/26/26/1025832626.db2.gz HFAPDVZQXINXIM-UCROKIRRSA-N -1 0 309.278 -0.265 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C[C@@H](C(=O)[O-])O1 ZINC001571101441 1025832767 /nfs/dbraw/zinc/83/27/67/1025832767.db2.gz ADUQAXCIJJBZNI-LNLATYFQSA-N -1 0 308.338 -0.380 20 0 DBADRM CCCn1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])nn1 ZINC001571101687 1025832886 /nfs/dbraw/zinc/83/28/86/1025832886.db2.gz FVVWLOUUJVOHMR-SNVBAGLBSA-N -1 0 309.326 -0.507 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1C(=O)[O-] ZINC001571100532 1025832957 /nfs/dbraw/zinc/83/29/57/1025832957.db2.gz KEAYYLFQIFUODD-BDAKNGLRSA-N -1 0 309.278 -0.569 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCc1nnnn1C1CC1 ZINC001571101789 1025833333 /nfs/dbraw/zinc/83/33/33/1025833333.db2.gz HHUGJPZSFZNLKB-WCBMZHEXSA-N -1 0 309.326 -0.106 20 0 DBADRM CN(CCCC(=O)NC[C@]1(O)CCS(=O)(=O)C1)C(=O)[O-] ZINC001571102929 1025834170 /nfs/dbraw/zinc/83/41/70/1025834170.db2.gz RHXZXBINOPTACJ-LLVKDONJSA-N -1 0 308.356 -0.958 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)N[C@H](COC)C(=O)[O-])CCC1 ZINC001571103159 1025833845 /nfs/dbraw/zinc/83/38/45/1025833845.db2.gz XSLKXDXFKDSXIS-MRVPVSSYSA-N -1 0 309.340 -0.509 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001571102645 1025834090 /nfs/dbraw/zinc/83/40/90/1025834090.db2.gz PIIORUSWPMVMFM-AWEZNQCLSA-N -1 0 309.322 -0.333 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(Cc3nc[nH]n3)CC2)O1 ZINC001571102332 1025834517 /nfs/dbraw/zinc/83/45/17/1025834517.db2.gz MSKRPCAALGSHHT-ZJUUUORDSA-N -1 0 309.326 -0.919 20 0 DBADRM Cc1cc(C)n(CC(=O)NC[C@@]2(C(=O)[O-])CCOC2)c(=O)n1 ZINC001571103204 1025834801 /nfs/dbraw/zinc/83/48/01/1025834801.db2.gz YLZVYVCDSXKJFU-AWEZNQCLSA-N -1 0 309.322 -0.532 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)NCCn2cnccc2=O)C1 ZINC001571103194 1025834815 /nfs/dbraw/zinc/83/48/15/1025834815.db2.gz YITIGWKDBFREET-WDEREUQCSA-N -1 0 309.322 -0.371 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001571102148 1025834915 /nfs/dbraw/zinc/83/49/15/1025834915.db2.gz KENBUBRFVLCRNQ-ZJUUUORDSA-N -1 0 308.338 -0.113 20 0 DBADRM C[C@H](C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-])[C@@H]1CCC(=O)N1 ZINC001571102077 1025834969 /nfs/dbraw/zinc/83/49/69/1025834969.db2.gz IXLQWXCJZFWJBR-PKFCDNJMSA-N -1 0 308.338 -0.243 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001571105913 1025835713 /nfs/dbraw/zinc/83/57/13/1025835713.db2.gz FJOJNLGPKPVDSD-MNOVXSKESA-N -1 0 310.350 -0.175 20 0 DBADRM COC(=O)c1cc(C(=O)CN2C[C@@H](O)C[C@@H]2C(=O)[O-])c(C)[nH]1 ZINC001571106534 1025835950 /nfs/dbraw/zinc/83/59/50/1025835950.db2.gz NELSNSWBBPILBB-GZMMTYOYSA-N -1 0 310.306 -0.188 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001571106207 1025835994 /nfs/dbraw/zinc/83/59/94/1025835994.db2.gz JRUMWNXUPOFXAK-FBIMIBRVSA-N -1 0 310.354 -0.047 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC001571106429 1025836256 /nfs/dbraw/zinc/83/62/56/1025836256.db2.gz PDXRLGBFXVIFKJ-KOLCDFICSA-N -1 0 310.306 -0.420 20 0 DBADRM COC(=O)c1cc(C(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c(C)[nH]1 ZINC001571106537 1025836323 /nfs/dbraw/zinc/83/63/23/1025836323.db2.gz NELSNSWBBPILBB-KCJUWKMLSA-N -1 0 310.306 -0.188 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC001571105915 1025836484 /nfs/dbraw/zinc/83/64/84/1025836484.db2.gz FJUZIKMQJJCOOV-CABZTGNLSA-N -1 0 310.354 -0.256 20 0 DBADRM Cn1cc(CNC(=O)N2CCC[C@@H]2CC(=O)[O-])c(=O)[nH]c1=O ZINC001571106011 1025836541 /nfs/dbraw/zinc/83/65/41/1025836541.db2.gz GBBZJULBVICQHX-SECBINFHSA-N -1 0 310.310 -0.365 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCN(c2nc[nH]n2)CC1)C(=O)[O-] ZINC001571106220 1025836627 /nfs/dbraw/zinc/83/66/27/1025836627.db2.gz KBHPKTCNRXQFJH-NSHDSACASA-N -1 0 310.358 -0.848 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC(NC(=O)[O-])CC1 ZINC001571105996 1025836778 /nfs/dbraw/zinc/83/67/78/1025836778.db2.gz FTDJMROFQYUMHP-UHFFFAOYSA-N -1 0 310.310 -0.003 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001571105940 1025836851 /nfs/dbraw/zinc/83/68/51/1025836851.db2.gz ANFGDRFQZUFFQP-PRHODGIISA-N -1 0 310.272 -0.023 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC001571105916 1025836926 /nfs/dbraw/zinc/83/69/26/1025836926.db2.gz FJUZIKMQJJCOOV-JOYOIKCWSA-N -1 0 310.354 -0.256 20 0 DBADRM Nc1n[nH]c(CNC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n1 ZINC001571106509 1025837125 /nfs/dbraw/zinc/83/71/25/1025837125.db2.gz QULVOBMXQWCSBJ-JVXZTZIISA-N -1 0 310.314 -0.980 20 0 DBADRM CC[C@](COC)(NC(=O)CCS(=O)(=O)N(C)C)C(=O)[O-] ZINC001571105908 1025837133 /nfs/dbraw/zinc/83/71/33/1025837133.db2.gz FBXWXXZCOYYMLH-LLVKDONJSA-N -1 0 310.372 -0.736 20 0 DBADRM CC(C)OCC[C@H](O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001571106677 1025837155 /nfs/dbraw/zinc/83/71/55/1025837155.db2.gz QGGPGWPPVKZCFG-WDEREUQCSA-N -1 0 309.384 -0.654 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001571108352 1025837786 /nfs/dbraw/zinc/83/77/86/1025837786.db2.gz PPCOXFBLXXRXCY-JMOVZRAMSA-N -1 0 311.269 -0.504 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN1CC(=O)c1cc(C(=O)[O-])[nH]c1C ZINC001571107275 1025837912 /nfs/dbraw/zinc/83/79/12/1025837912.db2.gz XVGMWWMXXVGQTE-GZMMTYOYSA-N -1 0 310.306 -0.188 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@H]1C ZINC001571108606 1025838119 /nfs/dbraw/zinc/83/81/19/1025838119.db2.gz XQEODJOFAOKGRK-SOCHQFKDSA-N -1 0 311.294 -0.127 20 0 DBADRM C[C@@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1ccnn1C ZINC001571111964 1025839291 /nfs/dbraw/zinc/83/92/91/1025839291.db2.gz UGBATQFSRBSKER-VGMNWLOBSA-N -1 0 311.342 -0.242 20 0 DBADRM CCO[C@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])[C@@H]1CCOC1 ZINC001571111624 1025839407 /nfs/dbraw/zinc/83/94/07/1025839407.db2.gz CLTSJHMRNCEDJW-VWYCJHECSA-N -1 0 312.326 -0.711 20 0 DBADRM CCO[C@H](C(=O)N[C@H](Cn1cncn1)C(=O)[O-])[C@@H]1CCOC1 ZINC001571111623 1025839530 /nfs/dbraw/zinc/83/95/30/1025839530.db2.gz CLTSJHMRNCEDJW-MXWKQRLJSA-N -1 0 312.326 -0.711 20 0 DBADRM CO[C@H]1COCC[C@@H]1CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001571110970 1025839673 /nfs/dbraw/zinc/83/96/73/1025839673.db2.gz ASWCFPIHGMDHSU-USWWRNFRSA-N -1 0 311.338 -0.037 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001571111312 1025840384 /nfs/dbraw/zinc/84/03/84/1025840384.db2.gz JNUJKTGDUURYHT-QWRGUYRKSA-N -1 0 311.342 -0.602 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001571111473 1025840534 /nfs/dbraw/zinc/84/05/34/1025840534.db2.gz LQIOILQMKRDBOG-WDEREUQCSA-N -1 0 311.338 -0.697 20 0 DBADRM COCc1nocc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001571113014 1025841187 /nfs/dbraw/zinc/84/11/87/1025841187.db2.gz VORPOCBCFDQFGK-HTQZYQBOSA-N -1 0 312.278 -0.233 20 0 DBADRM CC(C)OCc1noc(CN2CC(=O)N(C)C[C@@H]2C(=O)[O-])n1 ZINC001571113187 1025841262 /nfs/dbraw/zinc/84/12/62/1025841262.db2.gz XARSWZQQPBQNDS-SECBINFHSA-N -1 0 312.326 -0.278 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cn1 ZINC001571113000 1025841334 /nfs/dbraw/zinc/84/13/34/1025841334.db2.gz VGWSXKSEZAXDAV-FBIMIBRVSA-N -1 0 312.326 -0.758 20 0 DBADRM COC(=O)c1cc(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)on1 ZINC001571112974 1025841399 /nfs/dbraw/zinc/84/13/99/1025841399.db2.gz URZMHEULIDLWGJ-HTQZYQBOSA-N -1 0 312.278 -0.072 20 0 DBADRM NS(=O)(=O)c1ccc(OCc2cn(CC(=O)[O-])nn2)cc1 ZINC001571113214 1025841738 /nfs/dbraw/zinc/84/17/38/1025841738.db2.gz XHAGXVGAFBCNFW-UHFFFAOYSA-N -1 0 312.307 -0.411 20 0 DBADRM COC(=O)c1cc(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)on1 ZINC001571112977 1025841923 /nfs/dbraw/zinc/84/19/23/1025841923.db2.gz URZMHEULIDLWGJ-YUMQZZPRSA-N -1 0 312.278 -0.072 20 0 DBADRM COc1c(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c(C)nn1C ZINC001571113216 1025842126 /nfs/dbraw/zinc/84/21/26/1025842126.db2.gz XIMSWWIAAPTJGB-YUMQZZPRSA-N -1 0 312.326 -0.555 20 0 DBADRM NC(=O)CC1(CNS(=O)(=O)c2cccnc2C(=O)[O-])CC1 ZINC001571118546 1025843052 /nfs/dbraw/zinc/84/30/52/1025843052.db2.gz GIMSYLNPUUTBBM-UHFFFAOYSA-N -1 0 313.335 -0.286 20 0 DBADRM Cc1nnc(CN(C)C(=O)NCCC(=O)NCCC(=O)[O-])o1 ZINC001571118525 1025843324 /nfs/dbraw/zinc/84/33/24/1025843324.db2.gz FMFABCKESYALFV-UHFFFAOYSA-N -1 0 313.314 -0.500 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)CC1 ZINC001571118878 1025843336 /nfs/dbraw/zinc/84/33/36/1025843336.db2.gz KPIPEVBZPUAXNB-UHFFFAOYSA-N -1 0 313.335 -0.389 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001571118239 1025843561 /nfs/dbraw/zinc/84/35/61/1025843561.db2.gz BBRZFWHZJHFMDD-WRWORJQWSA-N -1 0 313.335 -0.304 20 0 DBADRM C[C@H]1CN(C(=O)NCC(=O)N2CCOCC2)C[C@]1(C)C(=O)[O-] ZINC001571117039 1025843906 /nfs/dbraw/zinc/84/39/06/1025843906.db2.gz UGMGIFHFHSHTHE-HZMBPMFUSA-N -1 0 313.354 -0.403 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001571116959 1025844104 /nfs/dbraw/zinc/84/41/04/1025844104.db2.gz PZXWIDLPPUGRMY-MNOVXSKESA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)N3CC[C@H](O)[C@@H](CO)C3)[C@@H]2C1 ZINC001571116111 1025844315 /nfs/dbraw/zinc/84/43/15/1025844315.db2.gz XYHRUYWVENWCRW-PTEOKISQSA-N -1 0 312.366 -0.130 20 0 DBADRM COC(=O)c1ccnc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC001571119971 1025845912 /nfs/dbraw/zinc/84/59/12/1025845912.db2.gz NVDMEPPUAWWVKL-SECBINFHSA-N -1 0 314.319 -0.037 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001571118930 1025846041 /nfs/dbraw/zinc/84/60/41/1025846041.db2.gz MYZANQWDYMLXRF-LLVKDONJSA-N -1 0 313.339 -0.562 20 0 DBADRM COc1ccc(F)c(OC)c1C(=O)NCC(=O)NCC(=O)[O-] ZINC001571120302 1025846140 /nfs/dbraw/zinc/84/61/40/1025846140.db2.gz TUHUHXCNZIZHKK-UHFFFAOYSA-N -1 0 314.269 -0.227 20 0 DBADRM COCc1nn(C)cc1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001571118905 1025846359 /nfs/dbraw/zinc/84/63/59/1025846359.db2.gz LWYIQRJOPRAJDP-VIFPVBQESA-N -1 0 313.310 -0.488 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001571122904 1025847074 /nfs/dbraw/zinc/84/70/74/1025847074.db2.gz JSLOBFZXJSLLIV-RBZYPMLTSA-N -1 0 315.322 -0.607 20 0 DBADRM CC(C)(O)[C@@H](O)C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC001571122896 1025847629 /nfs/dbraw/zinc/84/76/29/1025847629.db2.gz JREQTXCEXWCVPW-QWRGUYRKSA-N -1 0 315.297 -0.094 20 0 DBADRM COC(=O)C[C@H]1COCCN1C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001571123272 1025847681 /nfs/dbraw/zinc/84/76/81/1025847681.db2.gz PLMFYXVWGROPRZ-DTHBNOIPSA-N -1 0 315.322 -0.345 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)NCC(C)(CO)CO)cn1 ZINC001571122971 1025848093 /nfs/dbraw/zinc/84/80/93/1025848093.db2.gz JVXAAHBGXABBGV-UHFFFAOYSA-N -1 0 314.342 -0.185 20 0 DBADRM O=C([O-])C1(NC(=O)CCc2cn[nH]c2)CCS(=O)(=O)CC1 ZINC001571126351 1025849355 /nfs/dbraw/zinc/84/93/55/1025849355.db2.gz REIPOYLWQVGHEU-UHFFFAOYSA-N -1 0 315.351 -0.510 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cnc1N ZINC001571125385 1025849611 /nfs/dbraw/zinc/84/96/11/1025849611.db2.gz FTYNEIZSTXIEKU-NXEZZACHSA-N -1 0 315.351 -0.429 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571126738 1025849681 /nfs/dbraw/zinc/84/96/81/1025849681.db2.gz XJGLRAMNUMGSLH-NXEZZACHSA-N -1 0 315.370 -0.062 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)[O-] ZINC001571126713 1025849727 /nfs/dbraw/zinc/84/97/27/1025849727.db2.gz WFVMYWKIHHAHOM-CIUDSAMLSA-N -1 0 315.370 -0.369 20 0 DBADRM O=C([O-])c1nccc(NC[C@H]2C[C@H](NC(=O)c3ccn[nH]3)C2)n1 ZINC001571127650 1025850438 /nfs/dbraw/zinc/85/04/38/1025850438.db2.gz BHHVPHVMFWLUQX-KYZUINATSA-N -1 0 316.321 -0.060 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)C1N=NC(=O)N1C ZINC001571128347 1025850602 /nfs/dbraw/zinc/85/06/02/1025850602.db2.gz MBGJCQSQADEDSM-YFKPBYRVSA-N -1 0 316.295 -0.149 20 0 DBADRM Cc1cnn(C)c1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001571126851 1025850988 /nfs/dbraw/zinc/85/09/88/1025850988.db2.gz XKYKLVAEEKEPHF-UHFFFAOYSA-N -1 0 315.351 -0.510 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)CCNC(=O)CO)C(=O)[O-])C1 ZINC001571131285 1025851595 /nfs/dbraw/zinc/85/15/95/1025851595.db2.gz AERFDCZUUKILSR-CWSCBRNRSA-N -1 0 316.354 -0.740 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H](CO)[C@H](O)c2cccnc2)nc1 ZINC001571130965 1025851970 /nfs/dbraw/zinc/85/19/70/1025851970.db2.gz MNKGBXPQFLGUMM-QWHCGFSZSA-N -1 0 317.301 -0.001 20 0 DBADRM COCC(=O)NCCC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC001571131407 1025852713 /nfs/dbraw/zinc/85/27/13/1025852713.db2.gz FRNPHJBXLPDWRY-NSHDSACASA-N -1 0 316.354 -0.379 20 0 DBADRM C[C@@]1(C(=O)NCCn2cc(C(=O)[O-])nn2)CCCS1(=O)=O ZINC001571131813 1025853430 /nfs/dbraw/zinc/85/34/30/1025853430.db2.gz USETXVHTCRCUMF-NSHDSACASA-N -1 0 316.339 -0.940 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@H](C(=O)NC[C@@H](O)CC(=O)[O-])C1 ZINC001571131465 1025853641 /nfs/dbraw/zinc/85/36/41/1025853641.db2.gz HOKQZLRTIRCIPM-UWVGGRQHSA-N -1 0 316.354 -0.788 20 0 DBADRM CN1CCn2nc(C(=O)NC(C)(C)C(=O)[O-])cc2S1(=O)=O ZINC001571131917 1025853855 /nfs/dbraw/zinc/85/38/55/1025853855.db2.gz YPDXOTRNEAOKKW-UHFFFAOYSA-N -1 0 316.339 -0.890 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001571132459 1025853929 /nfs/dbraw/zinc/85/39/29/1025853929.db2.gz ALUWVYGPNBCQGW-APPZFPTMSA-N -1 0 317.305 -0.189 20 0 DBADRM O=C(Cn1nnnc1-c1ccccc1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001571133171 1025854711 /nfs/dbraw/zinc/85/47/11/1025854711.db2.gz LJMWTDTVDQOBIM-WJONMLJTSA-N -1 0 317.305 -0.566 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001571133438 1025855085 /nfs/dbraw/zinc/85/50/85/1025855085.db2.gz NZKOICTWHWUSSW-KOLCDFICSA-N -1 0 317.367 -0.419 20 0 DBADRM CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001571133358 1025855620 /nfs/dbraw/zinc/85/56/20/1025855620.db2.gz OQILMSDKWZAKIB-TVLCNXBWSA-N -1 0 317.338 -0.173 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](CNC(=O)c3cn[nH]n3)C2)n1 ZINC001571132956 1025855695 /nfs/dbraw/zinc/85/56/95/1025855695.db2.gz IHLPKCOAHKOPSQ-QMMMGPOBSA-N -1 0 317.309 -0.451 20 0 DBADRM CC[C@](COC)(NCC(=O)N[C@H](C(=O)OC)C(C)C)C(=O)[O-] ZINC001571137206 1025856491 /nfs/dbraw/zinc/85/64/91/1025856491.db2.gz ATJNZKWMNHTUCT-SMDDNHRTSA-N -1 0 318.370 -0.230 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001571138411 1025856909 /nfs/dbraw/zinc/85/69/09/1025856909.db2.gz ZDEDEINIMLTPQL-UHFFFAOYSA-N -1 0 318.355 -0.224 20 0 DBADRM O=C([O-])c1cccn(CC(=O)Nn2nnc3c2CCCC3)c1=O ZINC001571133577 1025856960 /nfs/dbraw/zinc/85/69/60/1025856960.db2.gz UEQXLJISIJIBNV-UHFFFAOYSA-N -1 0 317.305 -0.213 20 0 DBADRM CC(C)OC[C@H](CO)N(C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571137278 1025856987 /nfs/dbraw/zinc/85/69/87/1025856987.db2.gz CWXZQAZIWUXUQG-GRYCIOLGSA-N -1 0 318.370 -0.097 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001571137174 1025857223 /nfs/dbraw/zinc/85/72/23/1025857223.db2.gz AALQNJJNFLGKMR-SNVBAGLBSA-N -1 0 318.395 -0.019 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001571133813 1025857848 /nfs/dbraw/zinc/85/78/48/1025857848.db2.gz XNXJDDTZAIDEHZ-IUCAKERBSA-N -1 0 317.342 -0.454 20 0 DBADRM Cc1nc2c(cnn2C)c(N2CCC[C@@H]2C(=O)NCC(=O)[O-])n1 ZINC001571140342 1025858462 /nfs/dbraw/zinc/85/84/62/1025858462.db2.gz SEGWDWCFDGRCRM-SNVBAGLBSA-N -1 0 318.337 -0.159 20 0 DBADRM Cc1oc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1S(N)(=O)=O ZINC001571140260 1025858759 /nfs/dbraw/zinc/85/87/59/1025858759.db2.gz RFEWSZXXSRDTMV-IMTBSYHQSA-N -1 0 318.307 -0.793 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]21 ZINC001571139752 1025859151 /nfs/dbraw/zinc/85/91/51/1025859151.db2.gz MAPUOEQEVAPJSH-VLLVSFFDSA-N -1 0 318.333 -0.754 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])c(F)c1 ZINC001571139384 1025859249 /nfs/dbraw/zinc/85/92/49/1025859249.db2.gz KISUAGGZHVJVGC-KWQFWETISA-N -1 0 318.326 -0.507 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)CC1=O ZINC001571140295 1025859422 /nfs/dbraw/zinc/85/94/22/1025859422.db2.gz CLLVXGNNOPYPSS-QMMMGPOBSA-N -1 0 319.277 -0.969 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001571140625 1025859596 /nfs/dbraw/zinc/85/95/96/1025859596.db2.gz HVROBZZXSGDMIX-NXEZZACHSA-N -1 0 319.310 -0.096 20 0 DBADRM C[C@@H]1CCn2cc(C(=O)N[C@H](Cn3cncn3)C(=O)[O-])nc2C1 ZINC001571140068 1025859690 /nfs/dbraw/zinc/85/96/90/1025859690.db2.gz ONUBFTFNPULHJV-MWLCHTKSSA-N -1 0 318.337 -0.060 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC001571139434 1025859790 /nfs/dbraw/zinc/85/97/90/1025859790.db2.gz LBKAFTYDDNDNGZ-VIFPVBQESA-N -1 0 318.351 -0.246 20 0 DBADRM Cc1ocnc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001571142955 1025860366 /nfs/dbraw/zinc/86/03/66/1025860366.db2.gz FICGQDZVAZREKD-ULHKAFAUSA-N -1 0 319.317 -0.110 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CC[C@H](N3CCOC3=O)C2)C1 ZINC001571140960 1025860396 /nfs/dbraw/zinc/86/03/96/1025860396.db2.gz WFCLXOHFNMXTTB-LPEHRKFASA-N -1 0 318.351 -0.294 20 0 DBADRM CCO[C@@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)[C@@H]1OC ZINC001571143065 1025861015 /nfs/dbraw/zinc/86/10/15/1025861015.db2.gz KAPCIJCILHKGSG-IONOHQLYSA-N -1 0 319.339 -0.421 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001571142165 1025861210 /nfs/dbraw/zinc/86/12/10/1025861210.db2.gz XDTSUMFQZJBUGL-QMMMGPOBSA-N -1 0 319.277 -0.921 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2cncnc2)C1 ZINC001571141609 1025861447 /nfs/dbraw/zinc/86/14/47/1025861447.db2.gz ZIFYBHFUUWOTFT-HKWIRBFKSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(N2CCNC2=O)c1 ZINC001571142920 1025861459 /nfs/dbraw/zinc/86/14/59/1025861459.db2.gz DMXCDYPHJKOYCT-NEPJUHHUSA-N -1 0 319.317 -0.124 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001571142898 1025861732 /nfs/dbraw/zinc/86/17/32/1025861732.db2.gz CRLSITQCPUGZQI-FUAUIPCOSA-N -1 0 319.317 -0.206 20 0 DBADRM Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001571140939 1025861768 /nfs/dbraw/zinc/86/17/68/1025861768.db2.gz VRLYYENWHFCQOB-ZRUFSTJUSA-N -1 0 318.333 -0.117 20 0 DBADRM Cn1nnc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1C(F)(F)F ZINC001571142220 1025861786 /nfs/dbraw/zinc/86/17/86/1025861786.db2.gz YRNLISMPCZSAEP-UHFFFAOYSA-N -1 0 319.203 -0.169 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@H](C(=O)[O-])c2cccnc2)nn1 ZINC001571143479 1025862306 /nfs/dbraw/zinc/86/23/06/1025862306.db2.gz ZRMPIIXOUXQBKU-PWSUYJOCSA-N -1 0 319.321 0.000 20 0 DBADRM CN(C)C(=O)N1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001571144095 1025862690 /nfs/dbraw/zinc/86/26/90/1025862690.db2.gz FFKRCMDYASMIGQ-AOOOYVTPSA-N -1 0 319.383 -0.521 20 0 DBADRM C[C@](O)(CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)C1CC1 ZINC001571144214 1025863139 /nfs/dbraw/zinc/86/31/39/1025863139.db2.gz HOOHYWSZENOCNE-TVYUQYBPSA-N -1 0 319.379 -0.458 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)COc1ccsc1 ZINC001571144131 1025863296 /nfs/dbraw/zinc/86/32/96/1025863296.db2.gz FXCDPYPUMGGMLM-SECBINFHSA-N -1 0 319.360 -0.163 20 0 DBADRM CN(CCNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001571144545 1025864122 /nfs/dbraw/zinc/86/41/22/1025864122.db2.gz OOICNQDKNQCKAQ-SECBINFHSA-N -1 0 319.358 -0.012 20 0 DBADRM Cc1c(Br)cnn1CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001571144949 1025864237 /nfs/dbraw/zinc/86/42/37/1025864237.db2.gz CUWUDIXCFQHQQX-MUWHJKNJSA-N -1 0 320.143 -0.096 20 0 DBADRM C[C@@]1(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CCCS1(=O)=O ZINC001571144844 1025864262 /nfs/dbraw/zinc/86/42/62/1025864262.db2.gz ZIIMOSLANQJKST-GWCFXTLKSA-N -1 0 319.379 -0.362 20 0 DBADRM CS(=O)(=O)C1CN(C(=O)NCc2ncc(C(=O)[O-])s2)C1 ZINC001571144567 1025864670 /nfs/dbraw/zinc/86/46/70/1025864670.db2.gz OXCMYFYWDPLURO-UHFFFAOYSA-N -1 0 319.364 -0.220 20 0 DBADRM CC(=O)N1CCN([C@@H]2CCN(c3ncc(C(=O)[O-])cn3)C2)CC1 ZINC001571144858 1025865378 /nfs/dbraw/zinc/86/53/78/1025865378.db2.gz ZSHCDOVMQBIAPX-CYBMUJFWSA-N -1 0 319.365 -0.082 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1=O ZINC001571145472 1025865572 /nfs/dbraw/zinc/86/55/72/1025865572.db2.gz AFVGOWXWGFQRNL-SECBINFHSA-N -1 0 320.305 -0.573 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N[C@H](CO)[C@H](O)c2ccccn2)n1 ZINC001571146457 1025866285 /nfs/dbraw/zinc/86/62/85/1025866285.db2.gz YMTOMELCLIHTAQ-DGCLKSJQSA-N -1 0 320.305 -0.813 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)c1 ZINC001571145740 1025866362 /nfs/dbraw/zinc/86/63/62/1025866362.db2.gz IXQRFTSMRDWDIH-AAEUAGOBSA-N -1 0 320.305 -0.813 20 0 DBADRM Cc1cnn(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001571146145 1025866533 /nfs/dbraw/zinc/86/65/33/1025866533.db2.gz SAGINHXEPGABMZ-BJDJZHNGSA-N -1 0 320.349 -0.324 20 0 DBADRM CCc1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(=O)[O-])o1 ZINC001571146438 1025866894 /nfs/dbraw/zinc/86/68/94/1025866894.db2.gz YASIAWFGZWPTIK-TURJHENQSA-N -1 0 320.349 -0.101 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC2(CN(C(=O)c3cnon3)C2)C1 ZINC001571146395 1025867045 /nfs/dbraw/zinc/86/70/45/1025867045.db2.gz WYCXVVYKIKXEBC-RKDXNWHRSA-N -1 0 320.305 -0.535 20 0 DBADRM CCc1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])o1 ZINC001571146435 1025867058 /nfs/dbraw/zinc/86/70/58/1025867058.db2.gz YASIAWFGZWPTIK-DUYQIWHPSA-N -1 0 320.349 -0.101 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cn1ncc2cc(C)cnc21 ZINC001571146366 1025867146 /nfs/dbraw/zinc/86/71/46/1025867146.db2.gz WLDIDOIKKGLQCW-UHFFFAOYSA-N -1 0 320.305 -0.174 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N[C@@H](CO)[C@H](O)c2ccccn2)c1 ZINC001571145742 1025867225 /nfs/dbraw/zinc/86/72/25/1025867225.db2.gz IXQRFTSMRDWDIH-WCQYABFASA-N -1 0 320.305 -0.813 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(CCOC(=O)Cc2ccccc2)CC1=O ZINC001571146165 1025867545 /nfs/dbraw/zinc/86/75/45/1025867545.db2.gz SLPAGRFEKPDPHK-CYBMUJFWSA-N -1 0 320.345 -0.001 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(Cc2nnnn2C2CC2)C1 ZINC001571149415 1025868266 /nfs/dbraw/zinc/86/82/66/1025868266.db2.gz XFTONRUOWCYYEY-WDEREUQCSA-N -1 0 320.353 -0.723 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1=O ZINC001571149303 1025868572 /nfs/dbraw/zinc/86/85/72/1025868572.db2.gz SEBPEQITMRXVMV-BBBLOLIVSA-N -1 0 320.367 -0.889 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC001571149360 1025868729 /nfs/dbraw/zinc/86/87/29/1025868729.db2.gz VOLXJUWHHNGVMI-MRVPVSSYSA-N -1 0 320.371 -0.318 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001571148783 1025869259 /nfs/dbraw/zinc/86/92/59/1025869259.db2.gz BFNVYTDUJFGWQR-IMSYWVGJSA-N -1 0 320.367 -0.840 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2CCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001571149473 1025869287 /nfs/dbraw/zinc/86/92/87/1025869287.db2.gz YLYOXQADRTZWSC-AEJSXWLSSA-N -1 0 320.367 -0.695 20 0 DBADRM Cn1cnc(NC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)cc1=O ZINC001571149996 1025869314 /nfs/dbraw/zinc/86/93/14/1025869314.db2.gz SOFHJENHDPGOKT-ZDUSSCGKSA-N -1 0 321.293 -0.382 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC[C@H](F)C(=O)[O-] ZINC001571149853 1025869492 /nfs/dbraw/zinc/86/94/92/1025869492.db2.gz NIZZKGVNOHATOS-ZETCQYMHSA-N -1 0 321.305 -0.834 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001571150942 1025870079 /nfs/dbraw/zinc/87/00/79/1025870079.db2.gz PCICMEAERSWZNA-VHSXEESVSA-N -1 0 321.337 -0.506 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001571150221 1025870151 /nfs/dbraw/zinc/87/01/51/1025870151.db2.gz AVKXILGWENUOCR-BDAKNGLRSA-N -1 0 321.337 -0.054 20 0 DBADRM Cn1nncc1C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571150945 1025870174 /nfs/dbraw/zinc/87/01/74/1025870174.db2.gz PCZGOMADJIRHKB-NXEZZACHSA-N -1 0 321.337 -0.790 20 0 DBADRM CCn1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001571151125 1025870282 /nfs/dbraw/zinc/87/02/82/1025870282.db2.gz RDXLMFWIGWVKFV-NXEZZACHSA-N -1 0 321.337 -0.697 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001571150734 1025870342 /nfs/dbraw/zinc/87/03/42/1025870342.db2.gz LRLJCBHWMGKFPJ-QPUJVOFHSA-N -1 0 321.333 -0.328 20 0 DBADRM CN(CCCC(=O)N1CC(O)(C(=O)[O-])C1)C(=O)c1ccncc1 ZINC001571150225 1025870535 /nfs/dbraw/zinc/87/05/35/1025870535.db2.gz AVQZIWPHQOZUPM-UHFFFAOYSA-N -1 0 321.333 -0.408 20 0 DBADRM Cc1nn(C)c(-n2ccnc2C)c1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001571150804 1025870598 /nfs/dbraw/zinc/87/05/98/1025870598.db2.gz NPGNQLDMDXSPJQ-AWEZNQCLSA-N -1 0 321.337 -0.212 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)Cc2nc[nH]n2)CC1 ZINC001571151116 1025870802 /nfs/dbraw/zinc/87/08/02/1025870802.db2.gz QZWCIDRWRFDXSQ-ZJUUUORDSA-N -1 0 321.337 -0.825 20 0 DBADRM Cc1cc(=O)n2[nH]c(NC(=O)[C@H]3C[C@@H](C)[C@H](C(=O)[O-])O3)nc2n1 ZINC001571150185 1025870919 /nfs/dbraw/zinc/87/09/19/1025870919.db2.gz ZSOQNZJEOBURAE-SLBFFKMLSA-N -1 0 321.293 -0.457 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001571150995 1025870946 /nfs/dbraw/zinc/87/09/46/1025870946.db2.gz QGCMFJPDSCEKFZ-AATLWQCWSA-N -1 0 321.337 -0.542 20 0 DBADRM Cn1nncc1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001571150784 1025871021 /nfs/dbraw/zinc/87/10/21/1025871021.db2.gz NJXBEWNBTUGIQZ-JXUBOQSCSA-N -1 0 321.337 -0.840 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)nn1 ZINC001571153156 1025872010 /nfs/dbraw/zinc/87/20/10/1025872010.db2.gz KWGPRGRHRZNXSD-NKWVEPMBSA-N -1 0 322.243 -0.395 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001571153439 1025872244 /nfs/dbraw/zinc/87/22/44/1025872244.db2.gz NNAOIGPBJKJNDJ-XKNYDFJKSA-N -1 0 322.321 -0.595 20 0 DBADRM Cn1nncc1C(=O)NC1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001571151486 1025872286 /nfs/dbraw/zinc/87/22/86/1025872286.db2.gz XWZLTXZJDZUKAL-UWVGGRQHSA-N -1 0 321.337 -0.743 20 0 DBADRM NC(=O)c1ncn(C2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)c1N ZINC001571151240 1025872635 /nfs/dbraw/zinc/87/26/35/1025872635.db2.gz TZHSTBUQLOEZOK-DTWKUNHWSA-N -1 0 321.337 -0.552 20 0 DBADRM C[C@H](NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)c1ncn(C)n1 ZINC001571154567 1025873692 /nfs/dbraw/zinc/87/36/92/1025873692.db2.gz ZQERGEVNERZLIM-ISVAXAHUSA-N -1 0 322.325 -0.109 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]cc3F)C[C@H]21 ZINC001571154552 1025873961 /nfs/dbraw/zinc/87/39/61/1025873961.db2.gz YZYCUVLWTAANSI-RZWYQDGFSA-N -1 0 322.296 -0.544 20 0 DBADRM CNS(=O)(=O)NCC(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001571154241 1025874533 /nfs/dbraw/zinc/87/45/33/1025874533.db2.gz ISQCTUNLTRMUFS-UHFFFAOYSA-N -1 0 321.399 -0.276 20 0 DBADRM CCC[C@H](CCCS(C)(=O)=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001571154300 1025874989 /nfs/dbraw/zinc/87/49/89/1025874989.db2.gz KEGFKWUWPRVNBD-SNVBAGLBSA-N -1 0 321.395 -0.115 20 0 DBADRM C[C@@H]1CN(C(=O)NCCS(=O)(=O)N(C)C)C[C@H]1CC(=O)[O-] ZINC001571154759 1025875116 /nfs/dbraw/zinc/87/51/16/1025875116.db2.gz VEEVRJNYRVADAH-NXEZZACHSA-N -1 0 321.399 -0.370 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCOCC1 ZINC001571155922 1025875809 /nfs/dbraw/zinc/87/58/09/1025875809.db2.gz HYGFBLQGKHANNY-OBPIAQAESA-N -1 0 322.361 -0.293 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)CNC(=O)N1CCCC1)C(=O)[O-] ZINC001571158392 1025876042 /nfs/dbraw/zinc/87/60/42/1025876042.db2.gz LNJIRTNZFQHNHM-AWEZNQCLSA-N -1 0 323.353 -0.352 20 0 DBADRM CC(C)S(=O)(=O)CCNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571156117 1025876068 /nfs/dbraw/zinc/87/60/68/1025876068.db2.gz KLMRIDZSNBHMML-NXEZZACHSA-N -1 0 322.383 -0.402 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC001571158750 1025877935 /nfs/dbraw/zinc/87/79/35/1025877935.db2.gz QTZAZYNKHQRKDE-YGRLFVJLSA-N -1 0 323.353 -0.367 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NS(=O)(=O)C[C@H]1CCOC1 ZINC001571158424 1025878030 /nfs/dbraw/zinc/87/80/30/1025878030.db2.gz MDVYBKMAEXYJGV-VHSXEESVSA-N -1 0 323.367 -0.451 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CCn1cnnn1)Oc1ccc(F)cc1 ZINC001571159380 1025878272 /nfs/dbraw/zinc/87/82/72/1025878272.db2.gz GPIMEYBYVRTNKN-NSHDSACASA-N -1 0 323.284 -0.149 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc2c(n1)OCCO2)C(=O)[O-] ZINC001571159287 1025878315 /nfs/dbraw/zinc/87/83/15/1025878315.db2.gz FDVSKFKIWLAXAA-YUMQZZPRSA-N -1 0 323.305 -0.440 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)O1 ZINC001571159415 1025878365 /nfs/dbraw/zinc/87/83/65/1025878365.db2.gz HEKFFBZPDFAZLK-ZJUUUORDSA-N -1 0 323.305 -0.497 20 0 DBADRM CNC(=O)NC[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001571158840 1025878947 /nfs/dbraw/zinc/87/89/47/1025878947.db2.gz VGXLOIWIAMZXMJ-NSHDSACASA-N -1 0 323.353 -0.109 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)CCC(=O)NC1CCCC1 ZINC001571158593 1025879178 /nfs/dbraw/zinc/87/91/78/1025879178.db2.gz PDFBVACCZKEXPA-NSHDSACASA-N -1 0 323.353 -0.314 20 0 DBADRM CC(=O)CSCC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001571161108 1025879112 /nfs/dbraw/zinc/87/91/12/1025879112.db2.gz LSKBMXHLHBBCLQ-UHFFFAOYSA-N -1 0 323.392 -0.543 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1 ZINC001571163193 1025879842 /nfs/dbraw/zinc/87/98/42/1025879842.db2.gz GLJOKMSARGVPSZ-PWZJLYFZSA-N -1 0 324.337 -0.345 20 0 DBADRM Cc1c[nH]c(=O)c(CNC(=O)NCCC(=O)NCCC(=O)[O-])c1 ZINC001571163170 1025880095 /nfs/dbraw/zinc/88/00/95/1025880095.db2.gz FLQDSTHIBZDQBB-UHFFFAOYSA-N -1 0 324.337 -0.124 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])CC2 ZINC001571163377 1025880458 /nfs/dbraw/zinc/88/04/58/1025880458.db2.gz KDGDHMJLHNMZQI-UWVGGRQHSA-N -1 0 324.337 -0.519 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)NCC[C@H](O)C(=O)[O-])CCC2=O)cn1 ZINC001571163410 1025880558 /nfs/dbraw/zinc/88/05/58/1025880558.db2.gz KVPZXJOOVYHUQX-ONGXEEELSA-N -1 0 324.337 -0.885 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCc1nnc2n1CCOC2 ZINC001571163359 1025880831 /nfs/dbraw/zinc/88/08/31/1025880831.db2.gz JMCAZBJIRVUKAR-VHSXEESVSA-N -1 0 324.337 -0.306 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C1 ZINC001571163244 1025881008 /nfs/dbraw/zinc/88/10/08/1025881008.db2.gz IWLHMNFENWBVFA-DTWKUNHWSA-N -1 0 324.337 -0.487 20 0 DBADRM CCn1cccc(NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1=O ZINC001571163898 1025881134 /nfs/dbraw/zinc/88/11/34/1025881134.db2.gz VQAPBNGHTSCDGP-IUCAKERBSA-N -1 0 324.337 -0.033 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2cnns2)C1 ZINC001571164761 1025881747 /nfs/dbraw/zinc/88/17/47/1025881747.db2.gz FDVVEPQSIGRHLU-BZNPZCIMSA-N -1 0 324.362 -0.117 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2cnns2)C1 ZINC001571164762 1025882253 /nfs/dbraw/zinc/88/22/53/1025882253.db2.gz FDVVEPQSIGRHLU-KZVJFYERSA-N -1 0 324.362 -0.117 20 0 DBADRM C[C@H](CNC(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1)C(=O)[O-] ZINC001571164552 1025883104 /nfs/dbraw/zinc/88/31/04/1025883104.db2.gz AUXVXEFESJKKRL-SECBINFHSA-N -1 0 324.341 -0.250 20 0 DBADRM CC/C=C(\C)C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001572319508 1026334083 /nfs/dbraw/zinc/33/40/83/1026334083.db2.gz BWDCZTJRSRUJJK-YVFTVSHDSA-N -1 0 310.354 -0.013 20 0 DBADRM C/C=C(\C)C(=O)N(C)C1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001572554083 1026429808 /nfs/dbraw/zinc/42/98/08/1026429808.db2.gz CNVOIKRRMVMFNX-XBXARRHUSA-N -1 0 323.353 -0.239 20 0 DBADRM C=CS(=O)(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573310481 1026547341 /nfs/dbraw/zinc/54/73/41/1026547341.db2.gz LMDRDLWRTMIBEI-YUMQZZPRSA-N -1 0 306.340 -0.971 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccn2nccc2n1)[C@H](C)C(=O)[O-] ZINC001573348866 1026551956 /nfs/dbraw/zinc/55/19/56/1026551956.db2.gz ITTCMCLYSPYQHX-SECBINFHSA-N -1 0 319.321 -0.219 20 0 DBADRM CC(=O)NCCN(C(=O)c1cc(C=O)n(C)n1)[C@H](C)C(=O)[O-] ZINC001573349656 1026552126 /nfs/dbraw/zinc/55/21/26/1026552126.db2.gz TYQSVKMPGUOHLX-MRVPVSSYSA-N -1 0 310.310 -0.716 20 0 DBADRM C=CC(=O)N(CC)CC(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001573345012 1026553247 /nfs/dbraw/zinc/55/32/47/1026553247.db2.gz DNWMKPSUMFAKIJ-VIFPVBQESA-N -1 0 300.311 -0.647 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001573344787 1026553481 /nfs/dbraw/zinc/55/34/81/1026553481.db2.gz QMRNWSTVEQRRKV-QWHCGFSZSA-N -1 0 311.382 -0.232 20 0 DBADRM C=CS(=O)(=O)CCC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001573379643 1026558274 /nfs/dbraw/zinc/55/82/74/1026558274.db2.gz QKVDENKMSBCFKY-GFCCVEGCSA-N -1 0 315.351 -0.209 20 0 DBADRM C=CS(=O)(=O)CCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001573379341 1026558361 /nfs/dbraw/zinc/55/83/61/1026558361.db2.gz CYNAZWKJZPTDOT-VIFPVBQESA-N -1 0 318.351 -0.873 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001573370494 1026558414 /nfs/dbraw/zinc/55/84/14/1026558414.db2.gz IQSOBDZZWUWRTI-AGIUHOORSA-N -1 0 321.333 -0.305 20 0 DBADRM CC(=O)NC1CCN(S(=O)(=O)C2(CC(=O)[O-])CC2)CC1 ZINC001573370237 1026558686 /nfs/dbraw/zinc/55/86/86/1026558686.db2.gz FUTBFXUTQXDIHC-UHFFFAOYSA-N -1 0 304.368 -0.076 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)Nc1nc(C(=O)[O-])c[nH]1)n1cccn1 ZINC001573398810 1026560713 /nfs/dbraw/zinc/56/07/13/1026560713.db2.gz IIEAQKFABNOFIO-MRVPVSSYSA-N -1 0 320.309 -0.038 20 0 DBADRM CC(=O)c1cncc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)c1 ZINC001573397232 1026561991 /nfs/dbraw/zinc/56/19/91/1026561991.db2.gz IKMGWJCABIXHBJ-NEPJUHHUSA-N -1 0 307.306 -0.015 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)C[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001573401476 1026563039 /nfs/dbraw/zinc/56/30/39/1026563039.db2.gz DFCKENUEVIFVQC-SECBINFHSA-N -1 0 323.353 -0.666 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)n1cnc2c1ncnc2N ZINC001573399231 1026563238 /nfs/dbraw/zinc/56/32/38/1026563238.db2.gz LVFHWYAODGKPDH-HTQZYQBOSA-N -1 0 304.310 -0.097 20 0 DBADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccncc1)n1cncn1 ZINC001573400097 1026563276 /nfs/dbraw/zinc/56/32/76/1026563276.db2.gz SRCJBHCGOPILPR-IEBDPFPHSA-N -1 0 305.294 -0.463 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001573400982 1026563763 /nfs/dbraw/zinc/56/37/63/1026563763.db2.gz JXMZQILSDKADRY-SNVBAGLBSA-N -1 0 321.337 -0.652 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573400413 1026564253 /nfs/dbraw/zinc/56/42/53/1026564253.db2.gz AUIDZBYESQKYFN-PHIMTYICSA-N -1 0 321.337 -0.288 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)NC(=O)CNC(=O)[O-] ZINC001573402321 1026564779 /nfs/dbraw/zinc/56/47/79/1026564779.db2.gz JSRVFEUOSJJQLR-DTWKUNHWSA-N -1 0 316.358 -0.868 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C2=CCS(=O)(=O)C2)cn1 ZINC001573408556 1026565179 /nfs/dbraw/zinc/56/51/79/1026565179.db2.gz ZYYNSOWCPWOEAU-UHFFFAOYSA-N -1 0 313.335 -0.004 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)C[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001573402874 1026565408 /nfs/dbraw/zinc/56/54/08/1026565408.db2.gz NSAIRGHBITYJSU-VIFPVBQESA-N -1 0 323.353 -0.088 20 0 DBADRM CC(=O)N(C)CC(=O)NCC[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001573403555 1026566069 /nfs/dbraw/zinc/56/60/69/1026566069.db2.gz RQUWMRZBXRJDTG-VIFPVBQESA-N -1 0 323.353 -0.040 20 0 DBADRM CC(=O)N(C)CCCC(=O)N[C@H](C)CNC(=O)CNC(=O)[O-] ZINC001573402050 1026566173 /nfs/dbraw/zinc/56/61/73/1026566173.db2.gz YPUSJWCHSINDLF-SECBINFHSA-N -1 0 316.358 -0.867 20 0 DBADRM CC(C)(C)OC(=O)[C@@]1(C(=O)NC[C@@](C)(O)C(=O)[O-])CCCO1 ZINC001573406881 1026566309 /nfs/dbraw/zinc/56/63/09/1026566309.db2.gz IIFHMNJYMGYIDG-KGLIPLIRSA-N -1 0 317.338 -0.171 20 0 DBADRM CC(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(C)C ZINC001573416846 1026567133 /nfs/dbraw/zinc/56/71/33/1026567133.db2.gz BJVPBXHZKRWSMX-OYNCUSHFSA-N -1 0 301.343 -0.759 20 0 DBADRM CC(=O)N[C@@](C)(C(=O)N[C@H](Cn1cncn1)C(=O)[O-])C(C)C ZINC001573417131 1026567528 /nfs/dbraw/zinc/56/75/28/1026567528.db2.gz FBPOMXVXOBEVPV-ZWNOBZJWSA-N -1 0 311.342 -0.602 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)[C@H](C)C1 ZINC001573414942 1026567195 /nfs/dbraw/zinc/56/71/95/1026567195.db2.gz XKIJKSQDNZHQIZ-SSDOTTSWSA-N -1 0 316.339 -0.651 20 0 DBADRM CC(=O)N1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])CCO2 ZINC001573411121 1026567501 /nfs/dbraw/zinc/56/75/01/1026567501.db2.gz JMORJDSXHUZUOU-NWDGAFQWSA-N -1 0 310.350 -0.053 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N(C)CCNc1ccnc(C(=O)[O-])n1 ZINC001573416853 1026568007 /nfs/dbraw/zinc/56/80/07/1026568007.db2.gz BRUGHJWIHCRZQI-UHFFFAOYSA-N -1 0 323.353 -0.618 20 0 DBADRM CC(=O)N1CC(C(=O)N[C@@H](C)CNc2ncc(C(=O)[O-])cn2)C1 ZINC001573410794 1026568282 /nfs/dbraw/zinc/56/82/82/1026568282.db2.gz VMOCHICSGYSFAT-QMMMGPOBSA-N -1 0 321.337 -0.430 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC[C@H](C)CNC(=O)CNC(=O)[O-] ZINC001573422162 1026569742 /nfs/dbraw/zinc/56/97/42/1026569742.db2.gz PTKQQLCZGZQPHA-MRVPVSSYSA-N -1 0 316.358 -0.963 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001573420906 1026570051 /nfs/dbraw/zinc/57/00/51/1026570051.db2.gz GFAATDIUEOVQPG-JGVFFNPUSA-N -1 0 309.326 -0.962 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001573419129 1026570112 /nfs/dbraw/zinc/57/01/12/1026570112.db2.gz YHILNSUUFPVAKC-XJKSGUPXSA-N -1 0 320.345 -0.088 20 0 DBADRM CC(=O)N[C@@](C)(C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])C(C)C ZINC001573418445 1026570203 /nfs/dbraw/zinc/57/02/03/1026570203.db2.gz QYQOEFDDAGJIRV-IINYFYTJSA-N -1 0 316.354 -0.130 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001573420312 1026570264 /nfs/dbraw/zinc/57/02/64/1026570264.db2.gz AEZHJRZSGHVGHQ-NXEZZACHSA-N -1 0 313.354 -0.804 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CN(C)c1ncc(C(=O)[O-])cn1 ZINC001573420526 1026570311 /nfs/dbraw/zinc/57/03/11/1026570311.db2.gz COEVRLMPPPXZBC-BDAKNGLRSA-N -1 0 323.353 -0.360 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001573427006 1026571117 /nfs/dbraw/zinc/57/11/17/1026571117.db2.gz PIWVIKSEGZNFQH-UJNFCWOMSA-N -1 0 321.337 -0.820 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@@H](NC(=O)CNC(=O)[O-])C(C)C ZINC001573423421 1026571265 /nfs/dbraw/zinc/57/12/65/1026571265.db2.gz YJISZSUVIFTHIG-WCBMZHEXSA-N -1 0 316.358 -0.964 20 0 DBADRM CC(=O)N[C@H]1CN(C(=O)CNC(=O)[O-])CC2(CCOCC2)C1 ZINC001573427607 1026571453 /nfs/dbraw/zinc/57/14/53/1026571453.db2.gz CEJQIZDDZJPKRD-LLVKDONJSA-N -1 0 313.354 -0.212 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001573423355 1026571801 /nfs/dbraw/zinc/57/18/01/1026571801.db2.gz XLIOMVBNAYOECZ-JGVFFNPUSA-N -1 0 309.326 -0.962 20 0 DBADRM CC(=O)NCC(=O)N1CCCN(c2nccc(C(=O)[O-])n2)CC1 ZINC001573428381 1026573101 /nfs/dbraw/zinc/57/31/01/1026573101.db2.gz VNNLOWVSLMPORV-UHFFFAOYSA-N -1 0 321.337 -0.650 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001573429018 1026573315 /nfs/dbraw/zinc/57/33/15/1026573315.db2.gz AMNKZZYNKBBFEX-VIFPVBQESA-N -1 0 307.310 -0.994 20 0 DBADRM CC(=O)N[C@@H]1CCN([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001573428186 1026573383 /nfs/dbraw/zinc/57/33/83/1026573383.db2.gz RTYWWVCPEXCGRQ-GXFFZTMASA-N -1 0 311.382 -0.092 20 0 DBADRM CC(=O)NCC(=O)N[C@H](C)CN(C)c1ncc(C(=O)[O-])cn1 ZINC001573429791 1026573489 /nfs/dbraw/zinc/57/34/89/1026573489.db2.gz MEMGQSOWKSKEQY-MRVPVSSYSA-N -1 0 309.326 -0.748 20 0 DBADRM CC(=O)NCC(=O)NC[C@H](CC(C)C)NC(=O)CNC(=O)[O-] ZINC001573429518 1026573560 /nfs/dbraw/zinc/57/35/60/1026573560.db2.gz KESNZCVWMPNEKP-JTQLQIEISA-N -1 0 316.358 -0.963 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001573429151 1026573890 /nfs/dbraw/zinc/57/38/90/1026573890.db2.gz DVWCQJKXAOSCEZ-GFCCVEGCSA-N -1 0 319.317 -0.110 20 0 DBADRM CC(=O)NCC(=O)N[C@H](CCNC(=O)CNC(=O)[O-])C(C)C ZINC001573429482 1026573911 /nfs/dbraw/zinc/57/39/11/1026573911.db2.gz JPNAJPHJWIXHEW-SNVBAGLBSA-N -1 0 316.358 -0.963 20 0 DBADRM CC(=O)N[C@H](C(=O)N1CCC(O)(C(=O)[O-])CC1)C(C)(C)C ZINC001573435901 1026575654 /nfs/dbraw/zinc/57/56/54/1026575654.db2.gz DCHAGZFALIUAOQ-SNVBAGLBSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)CNC(=O)[O-])C[C@H]1c1cnn(C)c1 ZINC001573436730 1026574667 /nfs/dbraw/zinc/57/46/67/1026574667.db2.gz VBJMPQREAJCONF-WDEREUQCSA-N -1 0 309.326 -0.882 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)C(N)=O ZINC001573436447 1026575018 /nfs/dbraw/zinc/57/50/18/1026575018.db2.gz QEGIPNTVRMEELM-MNOVXSKESA-N -1 0 313.354 -0.530 20 0 DBADRM CC(=O)Nc1ccc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)nc1 ZINC001573442976 1026576026 /nfs/dbraw/zinc/57/60/26/1026576026.db2.gz BIHHKERBQCVQFA-ONGXEEELSA-N -1 0 307.306 -0.052 20 0 DBADRM CC(C)(C)OC(=O)N1CC2CC1(C(=O)N[C@@H](CO)C(=O)[O-])C2 ZINC001573465474 1026577564 /nfs/dbraw/zinc/57/75/64/1026577564.db2.gz SFDHWZFQRBCUSB-PUUHTONNSA-N -1 0 314.338 -0.052 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CNC(=O)[O-])[C@@H](O)C1 ZINC001573465732 1026579031 /nfs/dbraw/zinc/57/90/31/1026579031.db2.gz WXJUGKWISYZSBG-IUCAKERBSA-N -1 0 317.342 -0.260 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N(CC(N)=O)CC(=O)[O-] ZINC001573468989 1026579112 /nfs/dbraw/zinc/57/91/12/1026579112.db2.gz VJQZXZGOMHGOSY-JGVFFNPUSA-N -1 0 315.326 -0.702 20 0 DBADRM CC(C)(CNS(C)(=O)=O)NC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001573481953 1026579504 /nfs/dbraw/zinc/57/95/04/1026579504.db2.gz JTZFSXVUDTXISI-VIFPVBQESA-N -1 0 319.383 -0.213 20 0 DBADRM CC(C)(C)c1cc(C(=O)N[C@H](CO)CC(=O)[O-])nc2ncnn21 ZINC001573475512 1026579852 /nfs/dbraw/zinc/57/98/52/1026579852.db2.gz QBUXNPSWFRZMMU-QMMMGPOBSA-N -1 0 321.337 -0.013 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CNC(=O)[O-])[C@H](O)C1 ZINC001573465733 1026579923 /nfs/dbraw/zinc/57/99/23/1026579923.db2.gz WXJUGKWISYZSBG-RKDXNWHRSA-N -1 0 317.342 -0.260 20 0 DBADRM CC(C)(CC(=O)NC1(C(N)=O)CCS(=O)(=O)CC1)C(=O)[O-] ZINC001573476264 1026580046 /nfs/dbraw/zinc/58/00/46/1026580046.db2.gz CBFUOHUQGTZAKX-UHFFFAOYSA-N -1 0 320.367 -0.964 20 0 DBADRM CC(C)(O)[C@@H](O)CN1CCC(C(=O)[O-])(S(C)(=O)=O)CC1 ZINC001573485341 1026581209 /nfs/dbraw/zinc/58/12/09/1026581209.db2.gz YKOMQNGOSGKXLJ-VIFPVBQESA-N -1 0 309.384 -0.918 20 0 DBADRM CC(C)[C@@H](O)CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001573499334 1026581415 /nfs/dbraw/zinc/58/14/15/1026581415.db2.gz JQJZVUDQVCLOST-MNOVXSKESA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC001573490956 1026581837 /nfs/dbraw/zinc/58/18/37/1026581837.db2.gz ITBNEEWKRKXEPB-BXKDBHETSA-N -1 0 313.354 -0.628 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001573492908 1026582146 /nfs/dbraw/zinc/58/21/46/1026582146.db2.gz UTMVMOSWSIJCPL-NXEZZACHSA-N -1 0 315.370 -0.367 20 0 DBADRM CC(C)(O)[C@H](O)C(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC001573485298 1026582681 /nfs/dbraw/zinc/58/26/81/1026582681.db2.gz XLDAVCKKNJNHGF-CYBMUJFWSA-N -1 0 311.334 -0.060 20 0 DBADRM CC(C)N(C[C@@H](O)CO)C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001573519519 1026583898 /nfs/dbraw/zinc/58/38/98/1026583898.db2.gz OCEFLQGYIJGNMM-MRVPVSSYSA-N -1 0 300.315 -0.286 20 0 DBADRM CC(C)COC[C@H](O)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573515822 1026584103 /nfs/dbraw/zinc/58/41/03/1026584103.db2.gz BBDDXGIDWBEWEF-MRVPVSSYSA-N -1 0 321.355 -0.580 20 0 DBADRM CC(C)S(=O)(=O)CCNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001573526825 1026584819 /nfs/dbraw/zinc/58/48/19/1026584819.db2.gz ZEXLMHGCEXTVBK-UHFFFAOYSA-N -1 0 313.397 -0.264 20 0 DBADRM CC(C)NC(=O)CCCC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573525304 1026584950 /nfs/dbraw/zinc/58/49/50/1026584950.db2.gz UOTADLDTMKHZQW-ZJUUUORDSA-N -1 0 315.370 -0.225 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)NCc1[nH]cnc1C(=O)[O-] ZINC001573516162 1026585204 /nfs/dbraw/zinc/58/52/04/1026585204.db2.gz MHOYGVZABNHHEG-UHFFFAOYSA-N -1 0 303.340 -0.205 20 0 DBADRM CC(C)NC(=O)[C@H](C)NS(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC001573525264 1026585291 /nfs/dbraw/zinc/58/52/91/1026585291.db2.gz RTEVVZNLGJRUCQ-VIFPVBQESA-N -1 0 321.399 -0.039 20 0 DBADRM C[C@H](CCC(=O)[O-])NC(=O)N1CCN(c2nccnn2)CC1 ZINC001573540194 1026586094 /nfs/dbraw/zinc/58/60/94/1026586094.db2.gz GRYBBXNUJDVDGW-SNVBAGLBSA-N -1 0 308.342 -0.044 20 0 DBADRM C[C@H](CCC(=O)[O-])NC(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001573541846 1026586240 /nfs/dbraw/zinc/58/62/40/1026586240.db2.gz ZRHXJYGQYPEZBT-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)n1ncc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)c1N ZINC001573534674 1026587329 /nfs/dbraw/zinc/58/73/29/1026587329.db2.gz CFXSXAUEDNCDFX-WPRPVWTQSA-N -1 0 311.342 -0.253 20 0 DBADRM CC(C)c1nc([C@H]2COCCN2C(=O)[C@@H](O)CC(=O)[O-])no1 ZINC001573532834 1026587599 /nfs/dbraw/zinc/58/75/99/1026587599.db2.gz CYMLKRXQZXXRME-BDAKNGLRSA-N -1 0 313.310 -0.072 20 0 DBADRM C[C@H](CCC(=O)[O-])NC(=O)N(CCO)CCN1CCOCC1 ZINC001573540059 1026587608 /nfs/dbraw/zinc/58/76/08/1026587608.db2.gz CMBBCINZOGJEAO-GFCCVEGCSA-N -1 0 317.386 -0.424 20 0 DBADRM C[C@H](CCC(=O)[O-])NC(=O)NC[C@@]1(OCCO)CCOC1 ZINC001573540191 1026587780 /nfs/dbraw/zinc/58/77/80/1026587780.db2.gz GRDJJHGYCLCSEC-MFKMUULPSA-N -1 0 304.343 -0.293 20 0 DBADRM C[C@H](CC(=O)N[C@H](C)C1(C(=O)[O-])CCOCC1)NC(N)=O ZINC001573535574 1026587933 /nfs/dbraw/zinc/58/79/33/1026587933.db2.gz ODEBHLRAURDFIG-RKDXNWHRSA-N -1 0 301.343 -0.181 20 0 DBADRM C[C@H](CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001573545026 1026588446 /nfs/dbraw/zinc/58/84/46/1026588446.db2.gz YCXDJYMJQUGIFF-MRVPVSSYSA-N -1 0 317.342 -0.536 20 0 DBADRM C[C@@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1ccn(C)n1 ZINC001573551795 1026588798 /nfs/dbraw/zinc/58/87/98/1026588798.db2.gz BYQCERNOPIKMBN-VGMNWLOBSA-N -1 0 311.342 -0.242 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)c1nc(C(=O)[O-])n[nH]1 ZINC001573551351 1026589320 /nfs/dbraw/zinc/58/93/20/1026589320.db2.gz SKRRDFIGLXBYHR-WDSKDSINSA-N -1 0 304.328 -0.639 20 0 DBADRM CC(CO)(CO)CNC(=O)Nc1nnc(CC(=O)[O-])s1 ZINC001573552981 1026590002 /nfs/dbraw/zinc/59/00/02/1026590002.db2.gz UXFQLVFIUTWUHK-UHFFFAOYSA-N -1 0 304.328 -0.722 20 0 DBADRM C[C@H](NC(=O)CCNC(=O)CO)C1CCN(C(=O)[O-])CC1 ZINC001573561079 1026593744 /nfs/dbraw/zinc/59/37/44/1026593744.db2.gz BVJKAATZBHYWKV-VIFPVBQESA-N -1 0 301.343 -0.620 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccnc2n[nH]nc21)C(=O)[O-] ZINC001573559831 1026590784 /nfs/dbraw/zinc/59/07/84/1026590784.db2.gz KPHYBFDBVBXJKR-PHDIDXHHSA-N -1 0 306.282 -0.940 20 0 DBADRM C[C@@H](NS(=O)(=O)Cc1ccno1)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573559999 1026591092 /nfs/dbraw/zinc/59/10/92/1026591092.db2.gz NXCSJHGHIMQPDY-RQJHMYQMSA-N -1 0 305.312 -0.928 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCOC(=O)N1)C1(C(=O)[O-])CCOCC1 ZINC001573560528 1026591523 /nfs/dbraw/zinc/59/15/23/1026591523.db2.gz UZKLZRMLJWHGRM-DTWKUNHWSA-N -1 0 300.311 -0.129 20 0 DBADRM C[C@H](NC(=O)[C@]1(C)CCCS1(=O)=O)c1nc(C(=O)[O-])n[nH]1 ZINC001573560101 1026591581 /nfs/dbraw/zinc/59/15/81/1026591581.db2.gz PNWVOUSVAHAOCO-KGFZYKRKSA-N -1 0 316.339 -0.353 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccnc2n[nH]nc21)C(=O)[O-] ZINC001573559830 1026591624 /nfs/dbraw/zinc/59/16/24/1026591624.db2.gz KPHYBFDBVBXJKR-NTSWFWBYSA-N -1 0 306.282 -0.940 20 0 DBADRM C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1nc(C(=O)[O-])n[nH]1 ZINC001573559435 1026591837 /nfs/dbraw/zinc/59/18/37/1026591837.db2.gz CRIYOFNGBDQYQK-NKWVEPMBSA-N -1 0 316.339 -0.495 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCOC(=O)N1)C1(C(=O)[O-])CCOCC1 ZINC001573560532 1026591873 /nfs/dbraw/zinc/59/18/73/1026591873.db2.gz UZKLZRMLJWHGRM-RKDXNWHRSA-N -1 0 300.311 -0.129 20 0 DBADRM C[C@H](NC(=O)COCc1ccnn1C)c1nc(C(=O)[O-])n[nH]1 ZINC001573562234 1026592421 /nfs/dbraw/zinc/59/24/21/1026592421.db2.gz LDPPFLFPJAIEQR-ZETCQYMHSA-N -1 0 308.298 -0.370 20 0 DBADRM C[C@H](NC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO)c1ccn(C)n1 ZINC001573563123 1026592945 /nfs/dbraw/zinc/59/29/45/1026592945.db2.gz RZBTZCOBKAZLGA-QXEWZRGKSA-N -1 0 311.342 -0.249 20 0 DBADRM C[C@@H](NC(=O)COCc1ccnn1C)c1nc(C(=O)[O-])n[nH]1 ZINC001573562233 1026593030 /nfs/dbraw/zinc/59/30/30/1026593030.db2.gz LDPPFLFPJAIEQR-SSDOTTSWSA-N -1 0 308.298 -0.370 20 0 DBADRM C[C@@](NC(=O)[C@@H]1CSCC(=O)N1)(C(=O)[O-])C(F)(F)F ZINC001573568813 1026593170 /nfs/dbraw/zinc/59/31/70/1026593170.db2.gz FGZRPQUPLZYLQY-RNHFCUEFSA-N -1 0 300.258 -0.260 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCCc2nn[nH]c21)c1nc(C(=O)[O-])n[nH]1 ZINC001573560597 1026593306 /nfs/dbraw/zinc/59/33/06/1026593306.db2.gz VXAXYAADJDZQNL-PHDIDXHHSA-N -1 0 305.298 -0.082 20 0 DBADRM C[C@H](NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO)c1ncn(C)n1 ZINC001573562959 1026593342 /nfs/dbraw/zinc/59/33/42/1026593342.db2.gz QPGCSRVVDRWERS-DJLDLDEBSA-N -1 0 312.330 -0.854 20 0 DBADRM C[C@@H](NC(=O)N1CCCN(C(=O)[O-])CC1)C1N=NC(=O)N1C ZINC001573562775 1026593854 /nfs/dbraw/zinc/59/38/54/1026593854.db2.gz OIGNYTDWPPIKFU-MRVPVSSYSA-N -1 0 312.330 -0.023 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCCn2ncnc21)c1nc(C(=O)[O-])n[nH]1 ZINC001573560987 1026594036 /nfs/dbraw/zinc/59/40/36/1026594036.db2.gz ZGYYZYYEUPOOKP-BQBZGAKWSA-N -1 0 305.298 -0.151 20 0 DBADRM C[C@H](NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO)c1ccn(C)n1 ZINC001573563121 1026594069 /nfs/dbraw/zinc/59/40/69/1026594069.db2.gz RZBTZCOBKAZLGA-IQJOONFLSA-N -1 0 311.342 -0.249 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)c1nc(C(=O)[O-])n[nH]1 ZINC001573563488 1026594394 /nfs/dbraw/zinc/59/43/94/1026594394.db2.gz UWHRFPQCUWFARB-LURJTMIESA-N -1 0 304.328 -0.497 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccnn1C)c1nc(C(=O)[O-])n[nH]1 ZINC001573579168 1026595197 /nfs/dbraw/zinc/59/51/97/1026595197.db2.gz QWNASUNQBJRHPE-RXMQYKEDSA-N -1 0 300.300 -0.724 20 0 DBADRM C[C@@H](NC(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1)C(=O)[O-] ZINC001573573814 1026595329 /nfs/dbraw/zinc/59/53/29/1026595329.db2.gz XELPQYLIRRKIIP-RXMQYKEDSA-N -1 0 305.312 -0.448 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12)C(=O)[O-] ZINC001573579645 1026595389 /nfs/dbraw/zinc/59/53/89/1026595389.db2.gz AHNKCSQJQMGYGI-LNHVQRHZSA-N -1 0 304.302 -0.152 20 0 DBADRM C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001573578755 1026595541 /nfs/dbraw/zinc/59/55/41/1026595541.db2.gz MDGOIKKCKJHKQV-ZZHYIZSMSA-N -1 0 301.390 -0.496 20 0 DBADRM C[C@@H](NS(=O)(=O)C1CCN(C(=O)[O-])CC1)c1nnnn1C ZINC001573580184 1026595618 /nfs/dbraw/zinc/59/56/18/1026595618.db2.gz XTWKPSOJTVRSRS-SSDOTTSWSA-N -1 0 318.359 -0.667 20 0 DBADRM C[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H]1C)c1nc(C(=O)[O-])n[nH]1 ZINC001573580359 1026596028 /nfs/dbraw/zinc/59/60/28/1026596028.db2.gz ZNINISUZYURPGB-RRKCRQDMSA-N -1 0 304.328 -0.339 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1cc(C(=O)[O-])no1 ZINC001573580239 1026596331 /nfs/dbraw/zinc/59/63/31/1026596331.db2.gz CMOZCJYXIFWHNC-LDWIPMOCSA-N -1 0 311.294 -0.735 20 0 DBADRM C[C@H](Oc1ccccn1)C(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573590049 1026597867 /nfs/dbraw/zinc/59/78/67/1026597867.db2.gz MYKRZDHHKQVIKO-GARJFASQSA-N -1 0 309.322 -0.064 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccc(CN2CCOCC2)o1)C(=O)[O-] ZINC001573584050 1026598061 /nfs/dbraw/zinc/59/80/61/1026598061.db2.gz ZKPKHPYUXQIUSH-CQSZACIVSA-N -1 0 312.322 -0.323 20 0 DBADRM C[C@@H](c1nnnn1C)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001573590887 1026598150 /nfs/dbraw/zinc/59/81/50/1026598150.db2.gz YRIKPIMHMVTKCP-FHZGZLOMSA-N -1 0 301.372 -0.431 20 0 DBADRM C[C@@H](CNC(=O)N1CCC2(CC1)C[C@H](O)CNC2=O)C(=O)[O-] ZINC001573593836 1026598765 /nfs/dbraw/zinc/59/87/65/1026598765.db2.gz QPOWKIBRVGLPTE-UWVGGRQHSA-N -1 0 313.354 -0.620 20 0 DBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCO[C@@](C)(C(=O)[O-])C1 ZINC001573600278 1026599472 /nfs/dbraw/zinc/59/94/72/1026599472.db2.gz CERWFKWWYJACMP-ISVAXAHUSA-N -1 0 301.343 -0.229 20 0 DBADRM C[C@]1(C(=O)[O-])CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CCO1 ZINC001573600708 1026600798 /nfs/dbraw/zinc/60/07/98/1026600798.db2.gz JDMOTRFBLUEAPZ-ISTVAULSSA-N -1 0 314.338 -0.498 20 0 DBADRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)c1nnc2c(=O)[nH]ccn21 ZINC001573611340 1026602037 /nfs/dbraw/zinc/60/20/37/1026602037.db2.gz SGKNDCUAGWBPDD-XPUUQOCRSA-N -1 0 305.294 -0.294 20 0 DBADRM C[C@@H]1[C@H](CO)CCN1S(=O)(=O)Cc1cc(C(=O)[O-])no1 ZINC001573632680 1026603574 /nfs/dbraw/zinc/60/35/74/1026603574.db2.gz MKLSEDNTUJUOHF-SFYZADRCSA-N -1 0 304.324 -0.095 20 0 DBADRM C[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)C(=O)NCc1ccco1 ZINC001573626216 1026603639 /nfs/dbraw/zinc/60/36/39/1026603639.db2.gz ZGNBAVPLQHBHNP-MRVPVSSYSA-N -1 0 321.293 -0.610 20 0 DBADRM C[C@]1(C2CCN(C(=O)[C@H](O)CC(=O)[O-])CC2)COC(=O)N1 ZINC001573620456 1026603707 /nfs/dbraw/zinc/60/37/07/1026603707.db2.gz XNTNGBFUQFVRPB-NOZJJQNGSA-N -1 0 300.311 -0.441 20 0 DBADRM CC1=C(C(=O)N2CCCN(C(=O)[O-])CC2)S(=O)(=O)CCO1 ZINC001573624864 1026604382 /nfs/dbraw/zinc/60/43/82/1026604382.db2.gz FCZZVSBGCWXZQB-UHFFFAOYSA-N -1 0 318.351 -0.125 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001573626759 1026604213 /nfs/dbraw/zinc/60/42/13/1026604213.db2.gz RZPHWWWIBNLYAO-SECBINFHSA-N -1 0 315.351 -0.155 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC001573626529 1026604617 /nfs/dbraw/zinc/60/46/17/1026604617.db2.gz PRNZDGSFCBOIEN-HTQZYQBOSA-N -1 0 300.340 -0.333 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCN(c2nc(N)nc(C(=O)[O-])n2)CC1 ZINC001573636933 1026605441 /nfs/dbraw/zinc/60/54/41/1026605441.db2.gz VEKWLLFRDIVQFY-HTQZYQBOSA-N -1 0 306.326 -0.543 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)[C@@H](C)O1 ZINC001573633842 1026607186 /nfs/dbraw/zinc/60/71/86/1026607186.db2.gz CIYXWWMLNGLHKP-SAVGLBRCSA-N -1 0 301.343 -0.178 20 0 DBADRM CCC(=O)N[C@H](CCSC)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001573660382 1026608820 /nfs/dbraw/zinc/60/88/20/1026608820.db2.gz JEPDPMYLUASXJW-PELKAZGASA-N -1 0 306.384 -0.414 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CCC[C@H]1c1n[nH]nc1C(=O)[O-] ZINC001573660251 1026609116 /nfs/dbraw/zinc/60/91/16/1026609116.db2.gz IPGGFTFOANLWPO-ACZMJKKPSA-N -1 0 309.282 -0.337 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)C1 ZINC001573654075 1026609151 /nfs/dbraw/zinc/60/91/51/1026609151.db2.gz RPWAQCZHFWTEDN-ISVAXAHUSA-N -1 0 323.309 -0.677 20 0 DBADRM CC[C@H](C)NC(=O)CCNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001573679865 1026616236 /nfs/dbraw/zinc/61/62/36/1026616236.db2.gz YAZXGCQBSNMBNH-VHSXEESVSA-N -1 0 321.399 -0.325 20 0 DBADRM CC[C@H](C)C[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C(=O)[O-] ZINC001573674044 1026617006 /nfs/dbraw/zinc/61/70/06/1026617006.db2.gz RJYGERGXWVYMJS-FRNCOOQWSA-N -1 0 301.339 -0.595 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001573690378 1026619764 /nfs/dbraw/zinc/61/97/64/1026619764.db2.gz KWPBKULAMNELMH-UHFFFAOYSA-N -1 0 313.295 -0.419 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)CCCN(C)C(=O)[O-] ZINC001573699408 1026620503 /nfs/dbraw/zinc/62/05/03/1026620503.db2.gz MDNDZQDDCIQHMI-SECBINFHSA-N -1 0 309.388 -0.180 20 0 DBADRM C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001573691273 1026620808 /nfs/dbraw/zinc/62/08/08/1026620808.db2.gz USRWQUDGDBHVOJ-DVVUODLYSA-N -1 0 317.363 -0.298 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC001573691782 1026621291 /nfs/dbraw/zinc/62/12/91/1026621291.db2.gz ZXLWVXOPCXHVRI-GFCCVEGCSA-N -1 0 315.351 -0.013 20 0 DBADRM C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cnc(N)nc1 ZINC001573710939 1026622850 /nfs/dbraw/zinc/62/28/50/1026622850.db2.gz INAVMLJJFRZVDE-YUMQZZPRSA-N -1 0 300.340 -0.067 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573700439 1026623468 /nfs/dbraw/zinc/62/34/68/1026623468.db2.gz UMYMKPBJTRBOMI-IVZWLZJFSA-N -1 0 306.384 -0.069 20 0 DBADRM CCC[C@H](C(=O)N1CC[C@@H]([C@H](F)C(=O)[O-])C1)S(N)(=O)=O ZINC001573723378 1026624150 /nfs/dbraw/zinc/62/41/50/1026624150.db2.gz WWPKWFDJQFJNHV-HLTSFMKQSA-N -1 0 310.347 -0.285 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N1CC[C@](O)(C(=O)OC)C1 ZINC001573724318 1026625183 /nfs/dbraw/zinc/62/51/83/1026625183.db2.gz IKKGFWSTJWPJRR-GZMMTYOYSA-N -1 0 309.340 -0.821 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC001573724282 1026625208 /nfs/dbraw/zinc/62/52/08/1026625208.db2.gz IBXZSSMSBNJWHC-HLTSFMKQSA-N -1 0 313.397 -0.265 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N1CC[C@@H](NC(=O)NC)C1 ZINC001573724347 1026625333 /nfs/dbraw/zinc/62/53/33/1026625333.db2.gz IYPGUUZDGCGCDS-RKDXNWHRSA-N -1 0 307.372 -0.427 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N[C@H]1CCN(C(=O)NCC)C1 ZINC001573725416 1026625778 /nfs/dbraw/zinc/62/57/78/1026625778.db2.gz ZWDHYPWCIDKJSA-UWVGGRQHSA-N -1 0 321.399 -0.037 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC001573724283 1026625947 /nfs/dbraw/zinc/62/59/47/1026625947.db2.gz IBXZSSMSBNJWHC-IWSPIJDZSA-N -1 0 313.397 -0.265 20 0 DBADRM CCCNS(=O)(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001573759441 1026626648 /nfs/dbraw/zinc/62/66/48/1026626648.db2.gz GRMPLZOKYLQODR-GOSISDBHSA-N -1 0 312.413 -0.472 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCO[C@H]1C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001573741286 1026628514 /nfs/dbraw/zinc/62/85/14/1026628514.db2.gz VTVWILJLAXNLCN-SFGNSQDASA-N -1 0 318.341 -0.297 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@@H](NC(=O)C1CCCC1)[C@@H](C)O ZINC001573769943 1026629340 /nfs/dbraw/zinc/62/93/40/1026629340.db2.gz IZIUAIWNMIYINK-SKDRFNHKSA-N -1 0 300.355 -0.025 20 0 DBADRM CCN1C[C@H](C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)CC1=O ZINC001573776858 1026629909 /nfs/dbraw/zinc/62/99/09/1026629909.db2.gz DGAFFQLQQHJOSP-KGYLQXTDSA-N -1 0 321.333 -0.447 20 0 DBADRM CCCn1cc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccncc2)nn1 ZINC001573765145 1026630293 /nfs/dbraw/zinc/63/02/93/1026630293.db2.gz XDSNQBMAIPLEIP-NEPJUHHUSA-N -1 0 319.321 0.000 20 0 DBADRM CCN1C[C@H](S(=O)(=O)NCc2[nH]cnc2C(=O)[O-])CC1=O ZINC001573777240 1026630479 /nfs/dbraw/zinc/63/04/79/1026630479.db2.gz MMAYAWINURDMAY-SSDOTTSWSA-N -1 0 316.339 -0.852 20 0 DBADRM CCOC(=O)[C@@]1(CNC(=O)[C@H](O)CC(=O)[O-])CCCOC1 ZINC001573784322 1026633196 /nfs/dbraw/zinc/63/31/96/1026633196.db2.gz JCUZOFKSMOOAHL-NOZJJQNGSA-N -1 0 303.311 -0.702 20 0 DBADRM CCOC(=O)[C@@H](C)[C@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573781974 1026633409 /nfs/dbraw/zinc/63/34/09/1026633409.db2.gz NDXOTEPNBIWKMY-BQBZGAKWSA-N -1 0 319.339 -0.026 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(C(=O)[O-])no2)C1 ZINC001573783360 1026633424 /nfs/dbraw/zinc/63/34/24/1026633424.db2.gz YZZCTHRLILITFO-ZETCQYMHSA-N -1 0 317.323 -0.473 20 0 DBADRM CCOC(=O)[C@H]1CCCN(CC(=O)N[C@H](CO)CC(=O)[O-])C1 ZINC001573786417 1026634227 /nfs/dbraw/zinc/63/42/27/1026634227.db2.gz RQYGTJUZFJRPDC-QWRGUYRKSA-N -1 0 316.354 -0.787 20 0 DBADRM CCOC(=O)[C@H](C)N(C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573791400 1026634360 /nfs/dbraw/zinc/63/43/60/1026634360.db2.gz JRUPURBLDNSGEZ-ZETCQYMHSA-N -1 0 319.339 -0.012 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-] ZINC001573786610 1026634511 /nfs/dbraw/zinc/63/45/11/1026634511.db2.gz WKBQGRUTONIWNW-VHSXEESVSA-N -1 0 317.338 -0.171 20 0 DBADRM CCOC(=O)[C@@H]1CCN(C(=O)Nc2ncn(CC(=O)[O-])n2)C1 ZINC001573786058 1026634858 /nfs/dbraw/zinc/63/48/58/1026634858.db2.gz GVGCZDHHZQFNCP-MRVPVSSYSA-N -1 0 311.298 -0.220 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001573792415 1026635969 /nfs/dbraw/zinc/63/59/69/1026635969.db2.gz WULFQBIIAMXYGB-DOLQZWNJSA-N -1 0 314.338 -0.330 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)c1ccnc2c(C(=O)[O-])cnn21 ZINC001573801220 1026635976 /nfs/dbraw/zinc/63/59/76/1026635976.db2.gz RDDQFRWPELCAHS-MWLCHTKSSA-N -1 0 320.305 -0.039 20 0 DBADRM CC[C@H](CNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[O-] ZINC001573795094 1026636089 /nfs/dbraw/zinc/63/60/89/1026636089.db2.gz IHXXIHNHLUWWMN-MNOVXSKESA-N -1 0 313.354 -0.660 20 0 DBADRM CCOC(=O)c1n[nH]c(CNC(=O)[C@H](NC(=O)[O-])C(C)C)n1 ZINC001573794142 1026636325 /nfs/dbraw/zinc/63/63/25/1026636325.db2.gz WDTVEAWYXSDZGA-MRVPVSSYSA-N -1 0 313.314 -0.110 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-] ZINC001573793453 1026636423 /nfs/dbraw/zinc/63/64/23/1026636423.db2.gz HRVXKNCYCKVOQA-ZETCQYMHSA-N -1 0 319.339 -0.012 20 0 DBADRM CCO[C@H]1C[C@@H](NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)C1 ZINC001573800953 1026636552 /nfs/dbraw/zinc/63/65/52/1026636552.db2.gz CPGSXEZTOWHUJK-CHWFTXMASA-N -1 0 301.343 -0.176 20 0 DBADRM CCOC(=O)c1cnn(CC(=O)N2CCCC[C@H]2C(=O)[O-])n1 ZINC001573794136 1026636647 /nfs/dbraw/zinc/63/66/47/1026636647.db2.gz VVVIADIZTDUCEN-JTQLQIEISA-N -1 0 310.310 -0.080 20 0 DBADRM CCOCn1nc(C)c(CC(=O)NC[C@@](C)(O)C(=O)[O-])c1C ZINC001573801597 1026636677 /nfs/dbraw/zinc/63/66/77/1026636677.db2.gz GPQIBXDMYREGPP-CQSZACIVSA-N -1 0 313.354 -0.012 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CC[C@H](c2n[nH]cc2C(=O)[O-])C1 ZINC001573807620 1026638979 /nfs/dbraw/zinc/63/89/79/1026638979.db2.gz QDENHONNFJGFDE-QMMMGPOBSA-N -1 0 315.351 -0.142 20 0 DBADRM CC[C@H]1CN(C(=O)Cn2nc(C)oc2=O)C[C@]1(F)C(=O)[O-] ZINC001573817550 1026639289 /nfs/dbraw/zinc/63/92/89/1026639289.db2.gz VFUCENWJVONMIE-QPUJVOFHSA-N -1 0 301.274 -0.194 20 0 DBADRM CCC[C@H](C(=O)N(CCOC)CCC(=O)[O-])S(N)(=O)=O ZINC001573832111 1026640713 /nfs/dbraw/zinc/64/07/13/1026640713.db2.gz OYYTWRJCWDKCMN-SECBINFHSA-N -1 0 310.372 -0.607 20 0 DBADRM CC[C@H]1CN(S(=O)(=O)c2cnc(N)nc2)C[C@]1(F)C(=O)[O-] ZINC001573826778 1026641424 /nfs/dbraw/zinc/64/14/24/1026641424.db2.gz UMZUYIJXPXAAJW-WRWORJQWSA-N -1 0 318.330 -0.118 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)N2C[C@H](O)C[C@@]2(C)CO)n1 ZINC001573846226 1026641871 /nfs/dbraw/zinc/64/18/71/1026641871.db2.gz BHVGSXISRRVKDC-OQPBUACISA-N -1 0 312.326 -0.049 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)CC2CS(=O)(=O)C2)n1 ZINC001573845017 1026642056 /nfs/dbraw/zinc/64/20/56/1026642056.db2.gz SYXQRBKMMYLLLO-UHFFFAOYSA-N -1 0 301.324 -0.026 20 0 DBADRM CN(C(=O)c1nc2n(n1)CCCN2)[C@H](C(=O)[O-])c1cccnc1 ZINC001573858900 1026642825 /nfs/dbraw/zinc/64/28/25/1026642825.db2.gz LNXYIEGYPYMNOH-JTQLQIEISA-N -1 0 316.321 -0.356 20 0 DBADRM CCn1nnc(C)c1CNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001573850538 1026643082 /nfs/dbraw/zinc/64/30/82/1026643082.db2.gz KQUTTXWOZUTNHW-SECBINFHSA-N -1 0 317.371 -0.510 20 0 DBADRM CN(C)C(=O)CNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC001573858421 1026643405 /nfs/dbraw/zinc/64/34/05/1026643405.db2.gz BFUQLLAXBYBHBF-RNFRBKRXSA-N -1 0 311.260 -0.021 20 0 DBADRM CN(C(=O)Cn1ncn(C)c1=O)[C@H](C(=O)[O-])c1cccnc1 ZINC001573852884 1026643501 /nfs/dbraw/zinc/64/35/01/1026643501.db2.gz RXJRFBIAULJYMK-NSHDSACASA-N -1 0 305.294 -0.739 20 0 DBADRM CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H](C(=O)[O-])c1cccnc1 ZINC001573856462 1026643571 /nfs/dbraw/zinc/64/35/71/1026643571.db2.gz NJTPGEUNYMFVSK-WPRPVWTQSA-N -1 0 306.278 -0.736 20 0 DBADRM CN(C(=O)[C@H](O)CC(=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC001573850481 1026643589 /nfs/dbraw/zinc/64/35/89/1026643589.db2.gz JZPMKRYHQSQRQQ-NKWVEPMBSA-N -1 0 312.244 -0.556 20 0 DBADRM CN(C(=O)NCc1cc(C(=O)[O-])no1)[C@@H]1CCS(=O)(=O)C1 ZINC001573852131 1026643706 /nfs/dbraw/zinc/64/37/06/1026643706.db2.gz HKIYZMFSIGLJEL-SSDOTTSWSA-N -1 0 317.323 -0.299 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)Nc1ncc(CC(=O)[O-])s1 ZINC001573863846 1026644750 /nfs/dbraw/zinc/64/47/50/1026644750.db2.gz NYGLVDVHOSTZIV-UHFFFAOYSA-N -1 0 307.353 -0.400 20 0 DBADRM C[N@H+](CC(=O)N1CCC(C(=O)[O-])CC1)C[C@@]1(O)CCCOC1 ZINC001573864498 1026644872 /nfs/dbraw/zinc/64/48/72/1026644872.db2.gz HETWXEVYQCDMDJ-HNNXBMFYSA-N -1 0 314.382 -0.217 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1nccnc1C(N)=O ZINC001573864485 1026645022 /nfs/dbraw/zinc/64/50/22/1026645022.db2.gz FUVMTDRLCBFQFV-SECBINFHSA-N -1 0 321.337 -0.665 20 0 DBADRM CN(CCS(C)(=O)=O)Cc1cnc2c(C(=O)[O-])cnn2c1 ZINC001573873051 1026647550 /nfs/dbraw/zinc/64/75/50/1026647550.db2.gz TYNOEWMCKBWXIJ-UHFFFAOYSA-N -1 0 312.351 -0.096 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N2CC[C@H]([C@H](F)C(=O)[O-])C2)n1 ZINC001573865871 1026648137 /nfs/dbraw/zinc/64/81/37/1026648137.db2.gz QVUAZAXXEYKARP-BQBZGAKWSA-N -1 0 312.305 -0.595 20 0 DBADRM CN(CC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-])S(C)(=O)=O ZINC001573865171 1026648358 /nfs/dbraw/zinc/64/83/58/1026648358.db2.gz SHESTIGDJCMJLK-DTWKUNHWSA-N -1 0 308.356 -0.984 20 0 DBADRM CN(CC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccnc1)C(=O)C1CC1 ZINC001573865354 1026648548 /nfs/dbraw/zinc/64/85/48/1026648548.db2.gz VDRHNQOSGRCMLO-STQMWFEESA-N -1 0 321.333 -0.447 20 0 DBADRM CCN1C(=O)CO[C@H](C(=O)N[C@@H](C)C(=O)[O-])[C@H]1c1nccn1C ZINC001573883840 1026649165 /nfs/dbraw/zinc/64/91/65/1026649165.db2.gz SMOFIFBSCFADAI-LSJOCFKGSA-N -1 0 324.337 -0.702 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001573882670 1026649266 /nfs/dbraw/zinc/64/92/66/1026649266.db2.gz LUNYGTDVZAFYGM-RTXFEEFZSA-N -1 0 321.333 -0.305 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001573882247 1026649527 /nfs/dbraw/zinc/64/95/27/1026649527.db2.gz BSCYDDWFMWLVJP-NXEZZACHSA-N -1 0 319.310 -0.096 20 0 DBADRM CN(c1cccc(CNC(=O)CNC(=O)[O-])c1)S(C)(=O)=O ZINC001573882888 1026649612 /nfs/dbraw/zinc/64/96/12/1026649612.db2.gz SDHNLSWBTCFCBM-UHFFFAOYSA-N -1 0 315.351 -0.034 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001573882221 1026651045 /nfs/dbraw/zinc/65/10/45/1026651045.db2.gz AMZJYHSLEGYBPO-GHMZBOCLSA-N -1 0 319.310 -0.096 20 0 DBADRM CN1C[C@@H](CN2CCC(C(=O)[O-])([S@@](C)=O)CC2)OC1=O ZINC001573883342 1026651091 /nfs/dbraw/zinc/65/10/91/1026651091.db2.gz VAGTYTDATSHRNO-GWNMQOMSSA-N -1 0 304.368 -0.265 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)[C@H](CC(=O)[O-])C(F)(F)F ZINC001573882678 1026651246 /nfs/dbraw/zinc/65/12/46/1026651246.db2.gz LZTAFJOUIOLWNB-FSDSQADBSA-N -1 0 321.273 -0.587 20 0 DBADRM CNC(=O)C[C@H](C)NS(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC001573889432 1026652315 /nfs/dbraw/zinc/65/23/15/1026652315.db2.gz MZMMWGZQSZYGAV-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM CNC(=O)C[C@@H](C)NS(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC001573889431 1026652644 /nfs/dbraw/zinc/65/26/44/1026652644.db2.gz MZMMWGZQSZYGAV-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001573888663 1026652666 /nfs/dbraw/zinc/65/26/66/1026652666.db2.gz HTJLUKSXWUZPPY-NWDGAFQWSA-N -1 0 311.382 -0.232 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)C1 ZINC001573884352 1026652806 /nfs/dbraw/zinc/65/28/06/1026652806.db2.gz DEHWJUVUQJYYGH-QJPTWQEYSA-N -1 0 309.322 -0.985 20 0 DBADRM CNC(=O)NCCC(=O)NCc1nc(CC(=O)[O-])cs1 ZINC001573890547 1026655449 /nfs/dbraw/zinc/65/54/49/1026655449.db2.gz RPYXBOWDLZAYSV-UHFFFAOYSA-N -1 0 300.340 -0.295 20 0 DBADRM CN1N=C(C(=O)N2CCC[C@@H]2c2n[nH]nc2C(=O)[O-])CCC1=O ZINC001573889816 1026655545 /nfs/dbraw/zinc/65/55/45/1026655545.db2.gz ZFYSYEQLEXPZTI-MRVPVSSYSA-N -1 0 320.309 -0.225 20 0 DBADRM CNC(=O)NC1CCN(S(=O)(=O)C2(CC(=O)[O-])CC2)CC1 ZINC001573890565 1026655674 /nfs/dbraw/zinc/65/56/74/1026655674.db2.gz SFDYSUSBASBRPX-UHFFFAOYSA-N -1 0 319.383 -0.283 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573889915 1026655692 /nfs/dbraw/zinc/65/56/92/1026655692.db2.gz CULDVVLABMYSER-HBNTYKKESA-N -1 0 313.354 -0.356 20 0 DBADRM CN1N=C(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)CCC1=O ZINC001573889704 1026655706 /nfs/dbraw/zinc/65/57/06/1026655706.db2.gz VDIMDZUDVJCJQC-NEPJUHHUSA-N -1 0 320.305 -0.707 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001573890158 1026655807 /nfs/dbraw/zinc/65/58/07/1026655807.db2.gz IZCVACARMBOLDR-UHFFFAOYSA-N -1 0 310.310 -0.687 20 0 DBADRM COC(=O)[C@@H](Cn1ccnc1)NC(=O)CCCN(C)C(=O)[O-] ZINC001573907128 1026657059 /nfs/dbraw/zinc/65/70/59/1026657059.db2.gz LRSVZXQSAFRJNJ-SNVBAGLBSA-N -1 0 312.326 -0.069 20 0 DBADRM COC(=O)[C@@](C)(CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001573907135 1026657262 /nfs/dbraw/zinc/65/72/62/1026657262.db2.gz LXQVYUOTDLTAHF-GFCCVEGCSA-N -1 0 317.319 -0.413 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)N2CC([C@@H](F)C(=O)[O-])C2)cn1 ZINC001573890886 1026657760 /nfs/dbraw/zinc/65/77/60/1026657760.db2.gz YDCDTHUGXSCJDN-SNVBAGLBSA-N -1 0 313.289 -0.485 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001573903015 1026657998 /nfs/dbraw/zinc/65/79/98/1026657998.db2.gz JMFBJYTWUKOFDN-OPRDCNLKSA-N -1 0 304.368 -0.505 20 0 DBADRM CNC(=O)c1ccc(C(=O)N[C@H](C)c2nc(C(=O)[O-])n[nH]2)cn1 ZINC001573896157 1026658027 /nfs/dbraw/zinc/65/80/27/1026658027.db2.gz GGFLNQLMMUQHKJ-ZCFIWIBFSA-N -1 0 318.293 -0.252 20 0 DBADRM CCOC(=O)c1cc2n(n1)C[C@H](C)N(CC(=O)NCC(=O)[O-])C2 ZINC001573903286 1026658329 /nfs/dbraw/zinc/65/83/29/1026658329.db2.gz NIBRHGREKKRDJX-VIFPVBQESA-N -1 0 324.337 -0.535 20 0 DBADRM CNc1nc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)cs1 ZINC001573910310 1026659035 /nfs/dbraw/zinc/65/90/35/1026659035.db2.gz JUWWHTXJDVLOJK-RQJHMYQMSA-N -1 0 300.340 -0.115 20 0 DBADRM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)CCC(=O)[O-] ZINC001573907346 1026659103 /nfs/dbraw/zinc/65/91/03/1026659103.db2.gz OKKZTGNPGCOASA-VIFPVBQESA-N -1 0 311.356 -0.311 20 0 DBADRM CNc1cnc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccncc2)cn1 ZINC001573910317 1026659279 /nfs/dbraw/zinc/65/92/79/1026659279.db2.gz JYHXFVDALWMXNK-RYUDHWBXSA-N -1 0 317.305 -0.170 20 0 DBADRM CNS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)[O-])cc1 ZINC001573910213 1026659534 /nfs/dbraw/zinc/65/95/34/1026659534.db2.gz IJSJKAOMIWJREI-UHFFFAOYSA-N -1 0 315.351 -0.479 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573907875 1026659605 /nfs/dbraw/zinc/65/96/05/1026659605.db2.gz SCETZNHTLFEXHL-AEJSXWLSSA-N -1 0 315.322 -0.092 20 0 DBADRM CNS(=O)(=O)N1CCN(Cc2csc(C(=O)[O-])n2)CC1 ZINC001573910497 1026659697 /nfs/dbraw/zinc/65/96/97/1026659697.db2.gz NPFNCEMQAIRNQO-UHFFFAOYSA-N -1 0 320.396 -0.577 20 0 DBADRM COC(=O)[C@H](C[C@H]1CCCO1)NS(=O)(=O)CCC(=O)[O-] ZINC001573907995 1026659927 /nfs/dbraw/zinc/65/99/27/1026659927.db2.gz ULWGAUFKIXESMH-BDAKNGLRSA-N -1 0 309.340 -0.509 20 0 DBADRM CNc1nc(C)cc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001573909682 1026660015 /nfs/dbraw/zinc/66/00/15/1026660015.db2.gz BQAYLYYBJGPQDR-WPRPVWTQSA-N -1 0 309.326 -0.473 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)CCCN(C)C(=O)[O-] ZINC001573907343 1026660023 /nfs/dbraw/zinc/66/00/23/1026660023.db2.gz OIYDSSWLXFRXLQ-SECBINFHSA-N -1 0 318.326 -0.203 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]2C[C@H](NS(=O)(=O)CCC(=O)[O-])[C@@H]2C1 ZINC001573914228 1026661064 /nfs/dbraw/zinc/66/10/64/1026661064.db2.gz HVJMHIXJTHUXFJ-KYXWUPHJSA-N -1 0 305.352 -0.032 20 0 DBADRM COC(=O)[C@@H]1[C@H](O)CCCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001573915854 1026663076 /nfs/dbraw/zinc/66/30/76/1026663076.db2.gz KVBJAYAWLJUHII-BDAKNGLRSA-N -1 0 321.351 -0.678 20 0 DBADRM COC(=O)C1=NO[C@]2(CCN(S(=O)(=O)CCC(=O)[O-])C2)C1 ZINC001573916038 1026664047 /nfs/dbraw/zinc/66/40/47/1026664047.db2.gz MPVWZVDAGJYOPW-LLVKDONJSA-N -1 0 320.323 -0.815 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](NC(=O)[O-])C(C)C ZINC001573935158 1026669392 /nfs/dbraw/zinc/66/93/92/1026669392.db2.gz OATOCFQIZYMDQS-OPRDCNLKSA-N -1 0 302.327 -0.027 20 0 DBADRM COC(=O)COc1cccc(C(=O)N[C@@H](CO)CC(=O)[O-])c1 ZINC001573922377 1026664700 /nfs/dbraw/zinc/66/47/00/1026664700.db2.gz NWTVFLBJCHAAFI-SNVBAGLBSA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1c1n[nH]nc1C(=O)[O-] ZINC001573925105 1026665789 /nfs/dbraw/zinc/66/57/89/1026665789.db2.gz DNQKRSUSIZAPRC-NKWVEPMBSA-N -1 0 311.298 -0.089 20 0 DBADRM COC(=O)NCCC(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001573926381 1026665954 /nfs/dbraw/zinc/66/59/54/1026665954.db2.gz WQPABPKJBBQXGU-NRFANRHFSA-N -1 0 320.367 -0.443 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)C[C@@H](C)O1 ZINC001573934741 1026667320 /nfs/dbraw/zinc/66/73/20/1026667320.db2.gz AOROCCNKSZVTIY-UTLUCORTSA-N -1 0 315.326 -0.289 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001573931060 1026667789 /nfs/dbraw/zinc/66/77/89/1026667789.db2.gz RVPVABCPLZCIRJ-UYXSQOIJSA-N -1 0 300.311 -0.720 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC001573934778 1026667844 /nfs/dbraw/zinc/66/78/44/1026667844.db2.gz BIQGXRJRRFONOK-IWSPIJDZSA-N -1 0 318.351 -0.266 20 0 DBADRM COC1(C[C@H](NC(=O)CCNC(=O)CO)C(=O)[O-])CCC1 ZINC001573955420 1026673845 /nfs/dbraw/zinc/67/38/45/1026673845.db2.gz YJXJWRGZLORTBB-VIFPVBQESA-N -1 0 302.327 -0.986 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)C1 ZINC001573935279 1026668793 /nfs/dbraw/zinc/66/87/93/1026668793.db2.gz NLKRKLKRGYSRQM-QCLAVDOMSA-N -1 0 300.311 -0.728 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001573935706 1026668957 /nfs/dbraw/zinc/66/89/57/1026668957.db2.gz YYYLFEKQEIIYAG-VLEAKVRGSA-N -1 0 308.290 -0.507 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC001573935653 1026669300 /nfs/dbraw/zinc/66/93/00/1026669300.db2.gz WPBFKTWNNVPCKD-DTORHVGOSA-N -1 0 306.340 -0.437 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)Nc1cc(C(=O)[O-])nc(C)n1 ZINC001573935269 1026669320 /nfs/dbraw/zinc/66/93/20/1026669320.db2.gz NIDFAVQFDINIQG-BQBZGAKWSA-N -1 0 310.310 -0.039 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N[C@@H](CSC)C(=O)[O-])C[C@H]1C ZINC001573935557 1026669528 /nfs/dbraw/zinc/66/95/28/1026669528.db2.gz XCOLPXUFMKLIPK-BZNPZCIMSA-N -1 0 305.352 -0.115 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)C1 ZINC001573935280 1026669552 /nfs/dbraw/zinc/66/95/52/1026669552.db2.gz NLKRKLKRGYSRQM-RGOKHQFPSA-N -1 0 300.311 -0.728 20 0 DBADRM COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](O)CC(=O)[O-] ZINC001573935247 1026669780 /nfs/dbraw/zinc/66/97/80/1026669780.db2.gz MLZBAPZXVHMLHW-QWRGUYRKSA-N -1 0 313.281 -0.138 20 0 DBADRM COC(=O)c1cc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)n(C)n1 ZINC001573937972 1026670082 /nfs/dbraw/zinc/67/00/82/1026670082.db2.gz HFHLGDXSJQHCCA-MRVPVSSYSA-N -1 0 312.282 -0.476 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1n[nH]nc1C(=O)[O-] ZINC001573935564 1026670202 /nfs/dbraw/zinc/67/02/02/1026670202.db2.gz XJUZAEMELRVRPD-RNJXMRFFSA-N -1 0 308.294 -0.025 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NC1(C(=O)[O-])CCCC1 ZINC001573941786 1026671235 /nfs/dbraw/zinc/67/12/35/1026671235.db2.gz KXBIHUSJSSARMP-UHFFFAOYSA-N -1 0 317.323 -0.128 20 0 DBADRM CO[C@]1(C(=O)Nc2cc(C(=O)[O-])n[nH]2)CCS(=O)(=O)C1 ZINC001573947744 1026671561 /nfs/dbraw/zinc/67/15/61/1026671561.db2.gz BZORMLOSBAORIQ-SNVBAGLBSA-N -1 0 303.296 -0.750 20 0 DBADRM COC(=O)c1cn(C)nc1NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001573941799 1026672192 /nfs/dbraw/zinc/67/21/92/1026672192.db2.gz LKINXCRLZRCTLJ-QMMMGPOBSA-N -1 0 312.282 -0.476 20 0 DBADRM CO[C@@]1(C(=O)Nc2ccn(CC(=O)[O-])n2)CCS(=O)(=O)C1 ZINC001573948010 1026672208 /nfs/dbraw/zinc/67/22/08/1026672208.db2.gz GLELLWDQHIBJDT-NSHDSACASA-N -1 0 317.323 -0.890 20 0 DBADRM CO[C@H](C(=O)N[C@@H](C)c1nc(C(=O)[O-])n[nH]1)c1cnn(C)c1 ZINC001573947617 1026672215 /nfs/dbraw/zinc/67/22/15/1026672215.db2.gz KVHDUPBNLWJKFL-XPUUQOCRSA-N -1 0 308.298 -0.199 20 0 DBADRM COC1(C(=O)NCc2ccc(C(=O)[O-])o2)CS(=O)(=O)C1 ZINC001573948212 1026673216 /nfs/dbraw/zinc/67/32/16/1026673216.db2.gz HWGFASUNYDCBAZ-UHFFFAOYSA-N -1 0 303.292 -0.592 20 0 DBADRM COC1(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)CS(=O)(=O)C1 ZINC001573949899 1026673916 /nfs/dbraw/zinc/67/39/16/1026673916.db2.gz WESFYEMYDBYCAQ-MRVPVSSYSA-N -1 0 306.340 -0.941 20 0 DBADRM CO[C@H](CNC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO)C1CC1 ZINC001573949051 1026674267 /nfs/dbraw/zinc/67/42/67/1026674267.db2.gz MKJUCDOAOXBLIP-HBNTYKKESA-N -1 0 301.343 -0.319 20 0 DBADRM COC1(C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C(=O)[O-])CCC1 ZINC001573952558 1026674325 /nfs/dbraw/zinc/67/43/25/1026674325.db2.gz ASMNMFJWKZXWTO-LPEHRKFASA-N -1 0 314.338 -0.452 20 0 DBADRM CO[C@]1(CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)CCOC1 ZINC001573952613 1026674373 /nfs/dbraw/zinc/67/43/73/1026674373.db2.gz BZGUAKQHCBAKAS-CWSCBRNRSA-N -1 0 317.342 -0.938 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CCCN(C)C(=O)[O-] ZINC001573966035 1026676715 /nfs/dbraw/zinc/67/67/15/1026676715.db2.gz DLCKGBIBTAECRD-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM COC[C@@](C)(O)CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573968068 1026679437 /nfs/dbraw/zinc/67/94/37/1026679437.db2.gz BBVUZWHRGMQADU-JTQLQIEISA-N -1 0 307.328 -0.908 20 0 DBADRM COC[C@H](CS(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])OC ZINC001573969119 1026680218 /nfs/dbraw/zinc/68/02/18/1026680218.db2.gz RJUUNQBMCXFUOR-ZDCRXTMVSA-N -1 0 307.368 -0.085 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@H](C)c1nc(C(=O)[O-])n[nH]1 ZINC001573975100 1026680980 /nfs/dbraw/zinc/68/09/80/1026680980.db2.gz NOZASURXMIZTIM-NKWVEPMBSA-N -1 0 306.344 -0.092 20 0 DBADRM CCn1cc(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cn1 ZINC001573971310 1026681636 /nfs/dbraw/zinc/68/16/36/1026681636.db2.gz PGSDDNNVKGVYDS-JTQLQIEISA-N -1 0 315.351 -0.844 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(Cc2nnc3c(=O)[nH]ccn23)C1 ZINC001573974251 1026681834 /nfs/dbraw/zinc/68/18/34/1026681834.db2.gz JGFBOXYMLSSRCW-AWEZNQCLSA-N -1 0 321.337 -0.269 20 0 DBADRM CCn1cc(CNC(=O)[C@]2(C(=O)[O-])CCCO2)c(=O)[nH]c1=O ZINC001573971365 1026682077 /nfs/dbraw/zinc/68/20/77/1026682077.db2.gz RDIQRALPMGXSKR-ZDUSSCGKSA-N -1 0 311.294 -0.781 20 0 DBADRM COC[C@@]1(CO)CCN(C(=O)Nc2ncc(C(=O)[O-])n2C)C1 ZINC001573973395 1026682189 /nfs/dbraw/zinc/68/21/89/1026682189.db2.gz DIWUPLVFAYORJN-ZDUSSCGKSA-N -1 0 312.326 -0.019 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(C(=O)c2ns[nH]c2=O)C1 ZINC001573973732 1026682289 /nfs/dbraw/zinc/68/22/89/1026682289.db2.gz FDIYSJKADWWNLX-NSHDSACASA-N -1 0 301.324 -0.215 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@@H](C)c1nc(C(=O)[O-])n[nH]1 ZINC001573975102 1026682462 /nfs/dbraw/zinc/68/24/62/1026682462.db2.gz NOZASURXMIZTIM-RQJHMYQMSA-N -1 0 306.344 -0.092 20 0 DBADRM COCC[C@H](NC(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)C(N)=O ZINC001573977349 1026683890 /nfs/dbraw/zinc/68/38/90/1026683890.db2.gz BPDKLTGPJKSJMW-WDSKDSINSA-N -1 0 315.248 -0.418 20 0 DBADRM CO[C@@H]1CCC[C@H]1NC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573991983 1026685248 /nfs/dbraw/zinc/68/52/48/1026685248.db2.gz ADZSAGCTQDBUBX-UTINFBMNSA-N -1 0 301.343 -0.169 20 0 DBADRM CO[C@@H]1CN([C@H](C)C(=O)N2CCC[C@H](C(=O)[O-])C2)C[C@H]1O ZINC001573992013 1026685687 /nfs/dbraw/zinc/68/56/87/1026685687.db2.gz BUXFPZVCRQEOJS-WRWGMCAJSA-N -1 0 300.355 -0.610 20 0 DBADRM COC[C@H](NC(=O)CCCn1ccc(C(=O)OC)n1)C(=O)[O-] ZINC001573985629 1026685881 /nfs/dbraw/zinc/68/58/81/1026685881.db2.gz NUXCNKRXMHSGPV-JTQLQIEISA-N -1 0 313.310 -0.334 20 0 DBADRM COC[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)[O-] ZINC001573990869 1026686102 /nfs/dbraw/zinc/68/61/02/1026686102.db2.gz MSUIOUHSIUKYIW-JTQLQIEISA-N -1 0 316.335 -0.113 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001573986614 1026686402 /nfs/dbraw/zinc/68/64/02/1026686402.db2.gz ZZECKGPPEBQZMJ-ZJUUUORDSA-N -1 0 307.368 -0.193 20 0 DBADRM CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001573992850 1026687840 /nfs/dbraw/zinc/68/78/40/1026687840.db2.gz LTBQIZKYWJSGTB-SDBXPKJASA-N -1 0 320.342 -0.522 20 0 DBADRM COCc1nn(C)cc1C(=O)N[C@H](C)c1nc(C(=O)[O-])n[nH]1 ZINC001573993684 1026687884 /nfs/dbraw/zinc/68/78/84/1026687884.db2.gz VHMIBRVAQLINDZ-ZCFIWIBFSA-N -1 0 308.298 -0.126 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC001574003706 1026688022 /nfs/dbraw/zinc/68/80/22/1026688022.db2.gz FNALWMZLTLWJLM-KCJUWKMLSA-N -1 0 312.297 -0.104 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC001573992664 1026688079 /nfs/dbraw/zinc/68/80/79/1026688079.db2.gz XZDOCSICZVNGLO-BREBYQMCSA-N -1 0 302.327 -0.419 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)[C@H](CC(=O)[O-])C(F)(F)F)C[C@H]1O ZINC001573992428 1026688142 /nfs/dbraw/zinc/68/81/42/1026688142.db2.gz PFEVOFRAFIBEJB-FSDSQADBSA-N -1 0 321.273 -0.587 20 0 DBADRM COCc1cncc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)c1 ZINC001573993217 1026688660 /nfs/dbraw/zinc/68/86/60/1026688660.db2.gz OQYBFOIJCIFJPE-NEPJUHHUSA-N -1 0 309.322 -0.072 20 0 DBADRM COCc1cncc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)c1 ZINC001573993222 1026688926 /nfs/dbraw/zinc/68/89/26/1026688926.db2.gz OQYBFOIJCIFJPE-RYUDHWBXSA-N -1 0 309.322 -0.072 20 0 DBADRM COc1cc(COCC(=O)NCc2nc(C(=O)[O-])n[nH]2)ccn1 ZINC001574014367 1026690694 /nfs/dbraw/zinc/69/06/94/1026690694.db2.gz BAMCJOQTIDFQML-UHFFFAOYSA-N -1 0 321.293 -0.261 20 0 DBADRM COc1ccc(-n2cc(C(=O)NC[C@](C)(O)C(=O)[O-])nn2)cc1 ZINC001574024091 1026690762 /nfs/dbraw/zinc/69/07/62/1026690762.db2.gz UHZFPNMJKSQLIY-AWEZNQCLSA-N -1 0 320.305 -0.159 20 0 DBADRM COc1ccc([C@@H](NC(=O)c2nnn(C)n2)C(=O)[O-])cc1F ZINC001574023906 1026690789 /nfs/dbraw/zinc/69/07/89/1026690789.db2.gz PPRGOKRIJRMLHP-SECBINFHSA-N -1 0 309.257 -0.087 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1 ZINC001574030150 1026690812 /nfs/dbraw/zinc/69/08/12/1026690812.db2.gz NHQZRSZZXICTIB-AXFHLTTASA-N -1 0 306.384 -0.510 20 0 DBADRM COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)[C@H](OC)C(=O)[O-] ZINC001574037668 1026692041 /nfs/dbraw/zinc/69/20/41/1026692041.db2.gz FQPZJNUSHZLZTG-GUBZILKMSA-N -1 0 303.311 -0.440 20 0 DBADRM COC(=O)[C@@H](COC(C)C)N(C)C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001574045121 1026692054 /nfs/dbraw/zinc/69/20/54/1026692054.db2.gz BVGLTFYAMUANES-ZJUUUORDSA-N -1 0 316.310 -0.359 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001574032344 1026692990 /nfs/dbraw/zinc/69/29/90/1026692990.db2.gz SSJDFSQEYYXWHH-GQCTYLIASA-N -1 0 323.305 -0.688 20 0 DBADRM COC(=O)[C@@H](C)N(C(=O)c1cn(CC(=O)[O-])nn1)C1CCC1 ZINC001574038399 1026693703 /nfs/dbraw/zinc/69/37/03/1026693703.db2.gz SSHXQQAJPPBJPF-MRVPVSSYSA-N -1 0 310.310 -0.081 20 0 DBADRM COC(=O)[C@H](Cc1cncs1)NC(=O)COCC(=O)[O-] ZINC001574045096 1026693766 /nfs/dbraw/zinc/69/37/66/1026693766.db2.gz BBYBGRSRDBDGLN-QMMMGPOBSA-N -1 0 302.308 -0.555 20 0 DBADRM COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001574046492 1026694587 /nfs/dbraw/zinc/69/45/87/1026694587.db2.gz LJEKDPPWAOUEEC-RTHLEPHNSA-N -1 0 323.305 -0.033 20 0 DBADRM COc1nscc1CN1CCOC[C@H]1C(=O)NCC(=O)[O-] ZINC001574055138 1026694600 /nfs/dbraw/zinc/69/46/00/1026694600.db2.gz RCSAJSQJLZFOHJ-VIFPVBQESA-N -1 0 315.351 -0.447 20 0 DBADRM COc1cncc(S(=O)(=O)NC2(CC(=O)[O-])COC2)c1 ZINC001574052735 1026694685 /nfs/dbraw/zinc/69/46/85/1026694685.db2.gz WVRPEUSYIZKRGM-UHFFFAOYSA-N -1 0 302.308 -0.388 20 0 DBADRM COc1nn(C)cc1CNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001574055129 1026694743 /nfs/dbraw/zinc/69/47/43/1026694743.db2.gz RAAKPQDHNSFGQH-SECBINFHSA-N -1 0 318.355 -0.688 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001574047034 1026695009 /nfs/dbraw/zinc/69/50/09/1026695009.db2.gz RQYKPGAIRDIXHU-DOLQZWNJSA-N -1 0 300.311 -0.585 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)Cc1nnc[nH]1)C[C@H]2C(=O)[O-] ZINC001574048214 1026695067 /nfs/dbraw/zinc/69/50/67/1026695067.db2.gz YJPJVHCECBJEOI-PUUHTONNSA-N -1 0 322.321 -0.540 20 0 DBADRM COc1nccc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccncc2)n1 ZINC001574054062 1026695080 /nfs/dbraw/zinc/69/50/80/1026695080.db2.gz KHDWLHBKVFCSPA-GHMZBOCLSA-N -1 0 318.289 -0.203 20 0 DBADRM COC(=O)C[C@H](C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574055264 1026695905 /nfs/dbraw/zinc/69/59/05/1026695905.db2.gz NVOZFYXKSMSXEI-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM C[S@](=N)(=O)N1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC001574057316 1026697046 /nfs/dbraw/zinc/69/70/46/1026697046.db2.gz KUBLHCXYTVSZKF-GOSISDBHSA-N -1 0 313.401 -0.610 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1cccc(C(=O)OC)n1 ZINC001574056924 1026697056 /nfs/dbraw/zinc/69/70/56/1026697056.db2.gz XHBNDZNQQFNMNP-UHFFFAOYSA-N -1 0 324.289 -0.042 20 0 DBADRM CS(=O)(=O)c1ccc(CN[C@H]2CN(C(=O)[O-])C[C@@H]2CO)o1 ZINC001574059354 1026697993 /nfs/dbraw/zinc/69/79/93/1026697993.db2.gz IRJWCONTRPMRMN-SCZZXKLOSA-N -1 0 318.351 -0.257 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC001574059068 1026698134 /nfs/dbraw/zinc/69/81/34/1026698134.db2.gz BUGCUEGGSBPYPS-BTKVJGODSA-N -1 0 316.379 -0.663 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)CO[C@H]2CCOC2)CC1 ZINC001574059085 1026698307 /nfs/dbraw/zinc/69/83/07/1026698307.db2.gz CMZHIUVUQJQGEB-CWKPULSASA-N -1 0 319.379 -0.384 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC001574059069 1026698351 /nfs/dbraw/zinc/69/83/51/1026698351.db2.gz BUGCUEGGSBPYPS-FPVGNUTFSA-N -1 0 316.379 -0.663 20 0 DBADRM CS(=O)(=O)Nc1ccc(NC(=O)[C@@H](O)CC(=O)[O-])cc1 ZINC001574059236 1026698466 /nfs/dbraw/zinc/69/84/66/1026698466.db2.gz FITSGJIXDJLGQF-VIFPVBQESA-N -1 0 302.308 -0.168 20 0 DBADRM COC(=O)COCCNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001574066521 1026699901 /nfs/dbraw/zinc/69/99/01/1026699901.db2.gz SRQHUFPFNJFMLK-NXEZZACHSA-N -1 0 303.311 -0.438 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001574059861 1026699973 /nfs/dbraw/zinc/69/99/73/1026699973.db2.gz RCKODOBLEQOUGH-OUAUKWLOSA-N -1 0 318.395 -0.115 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001574077028 1026700993 /nfs/dbraw/zinc/70/09/93/1026700993.db2.gz CNJJTJJCUHLKPN-RBXMUDONSA-N -1 0 300.311 -0.720 20 0 DBADRM CSC[C@H](NC(=O)[C@@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001574097238 1026701934 /nfs/dbraw/zinc/70/19/34/1026701934.db2.gz YOTHWJGVUUBHPI-RQJHMYQMSA-N -1 0 300.340 -0.522 20 0 DBADRM CSC[C@@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC001574097219 1026702013 /nfs/dbraw/zinc/70/20/13/1026702013.db2.gz XZHPBVUSCSNFSM-SSDOTTSWSA-N -1 0 321.380 -0.782 20 0 DBADRM CSC[C@H](NS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-] ZINC001574096691 1026702026 /nfs/dbraw/zinc/70/20/26/1026702026.db2.gz QYCLOCMJECFPDR-ZETCQYMHSA-N -1 0 316.426 -0.101 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)c2cnncc2O)CC1 ZINC001574096813 1026702095 /nfs/dbraw/zinc/70/20/95/1026702095.db2.gz FKTHKHWGTISZOR-OAQYLSRUSA-N -1 0 313.335 -0.380 20 0 DBADRM CSC[C@@H](NC(=O)c1coc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001574097251 1026702197 /nfs/dbraw/zinc/70/21/97/1026702197.db2.gz ZJIRSGJZVNKFFF-ZCFIWIBFSA-N -1 0 308.337 -0.527 20 0 DBADRM COC(=O)c1cn([C@H]2CCN(C(=O)[C@]3(C(=O)[O-])C[C@H]3C)C2)nn1 ZINC001574095733 1026702383 /nfs/dbraw/zinc/70/23/83/1026702383.db2.gz XOGSAEYLJMFPAH-ITMYJUKJSA-N -1 0 322.321 -0.051 20 0 DBADRM CSC[C@@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC001574096289 1026702493 /nfs/dbraw/zinc/70/24/93/1026702493.db2.gz FHQAMANRKHIHIX-MRVPVSSYSA-N -1 0 311.319 -0.042 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNC(=O)c2cn(CC(=O)[O-])nn2)C1(F)F ZINC001574077365 1026703154 /nfs/dbraw/zinc/70/31/54/1026703154.db2.gz QZKNVHUQYUFZFA-XNCJUZBTSA-N -1 0 318.236 -0.853 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001574096477 1026703281 /nfs/dbraw/zinc/70/32/81/1026703281.db2.gz AIUROYUWEUEOEG-ZCBMBIDYSA-N -1 0 316.379 -0.362 20 0 DBADRM CSC[C@@H](NC(=O)c1cccnc1OCCO)C(=O)[O-] ZINC001574096410 1026703621 /nfs/dbraw/zinc/70/36/21/1026703621.db2.gz LIIQXIAGPIVBJJ-SECBINFHSA-N -1 0 300.336 -0.001 20 0 DBADRM C[S@](=O)C1(CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)CC1 ZINC001574097759 1026704244 /nfs/dbraw/zinc/70/42/44/1026704244.db2.gz SOMCLQCIRKWWFX-HORACTTISA-N -1 0 319.383 -0.833 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC001574097532 1026705423 /nfs/dbraw/zinc/70/54/23/1026705423.db2.gz PELTWVMRZNIXFO-ZETCQYMHSA-N -1 0 306.344 -0.708 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001574097934 1026705507 /nfs/dbraw/zinc/70/55/07/1026705507.db2.gz VFWVZBPIEYVDDP-QMMMGPOBSA-N -1 0 303.340 -0.287 20 0 DBADRM Cc1c(Br)cnn1CC(=O)N[C@@H](CO)CC(=O)[O-] ZINC001574113962 1026706531 /nfs/dbraw/zinc/70/65/31/1026706531.db2.gz RFHAZTFWAGAWMQ-SSDOTTSWSA-N -1 0 320.143 -0.094 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CC[C@H](C(=O)Nc2cn[nH]c2)C1 ZINC001574106577 1026706631 /nfs/dbraw/zinc/70/66/31/1026706631.db2.gz YRYSAUYYNFTFIU-ISVAXAHUSA-N -1 0 310.310 -0.314 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001574113305 1026707048 /nfs/dbraw/zinc/70/70/48/1026707048.db2.gz NUXUQQCXVDYORS-UHFFFAOYSA-N -1 0 307.266 -0.191 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCO[C@](C)(C(=O)[O-])C1 ZINC001574114220 1026707073 /nfs/dbraw/zinc/70/70/73/1026707073.db2.gz VXPLSCLGKJVAJC-ZDUSSCGKSA-N -1 0 311.294 -0.559 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccccc1CNS(C)(=O)=O ZINC001574105285 1026707318 /nfs/dbraw/zinc/70/73/18/1026707318.db2.gz OLFBQDTYANPZKP-JTQLQIEISA-N -1 0 316.335 -0.226 20 0 DBADRM Cc1[nH]c(C(=O)N2CC3(C2)C[C@H](O)CNC3=O)c(C)c1C(=O)[O-] ZINC001574111363 1026707438 /nfs/dbraw/zinc/70/74/38/1026707438.db2.gz DAYIBFWDEIXJGC-VIFPVBQESA-N -1 0 321.333 -0.347 20 0 DBADRM Cc1c(C(=O)N2CCC[C@@H]2c2n[nH]nc2C(=O)[O-])nnn1C ZINC001574111925 1026708102 /nfs/dbraw/zinc/70/81/02/1026708102.db2.gz CWJXGNQGQDZIBN-SSDOTTSWSA-N -1 0 305.298 -0.083 20 0 DBADRM CO[C@@]1(CNC(=O)N(C)CCCC(=O)[O-])CCS(=O)(=O)C1 ZINC001574119928 1026709136 /nfs/dbraw/zinc/70/91/36/1026709136.db2.gz KGOHDMADGCBKDC-GFCCVEGCSA-N -1 0 322.383 -0.304 20 0 DBADRM COC1(C(=O)Nc2ccc(C(=O)[O-])cn2)CS(=O)(=O)C1 ZINC001574120271 1026709693 /nfs/dbraw/zinc/70/96/93/1026709693.db2.gz MFPGUSQPSIOUNR-UHFFFAOYSA-N -1 0 300.292 -0.468 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[C@@H](NC(=O)[C@H](O)CC(=O)[O-])C2)n1 ZINC001574126837 1026710643 /nfs/dbraw/zinc/71/06/43/1026710643.db2.gz GLXPHHSZWZOUSH-RKDXNWHRSA-N -1 0 310.310 -0.979 20 0 DBADRM Cc1cc(C(F)(F)F)nc(C(=O)N(CC(N)=O)CC(=O)[O-])n1 ZINC001574128049 1026711712 /nfs/dbraw/zinc/71/17/12/1026711712.db2.gz QVZVOHGCKGCUBA-UHFFFAOYSA-N -1 0 320.227 -0.184 20 0 DBADRM Cc1cc(NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)n(CC(=O)[O-])n1 ZINC001574140881 1026712810 /nfs/dbraw/zinc/71/28/10/1026712810.db2.gz FJZRJWAVGYUVMS-UHFFFAOYSA-N -1 0 321.293 -0.033 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cnc1N ZINC001574143296 1026713191 /nfs/dbraw/zinc/71/31/91/1026713191.db2.gz ARHFKDCZMCAIJL-VIFPVBQESA-N -1 0 301.324 -0.554 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(Cc2nc(CO)cs2)CCO1 ZINC001574144591 1026713797 /nfs/dbraw/zinc/71/37/97/1026713797.db2.gz AEIHENHTDRJKOL-GFCCVEGCSA-N -1 0 302.352 -0.063 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)cc1C(=O)[O-] ZINC001574156469 1026716168 /nfs/dbraw/zinc/71/61/68/1026716168.db2.gz IDDHTUPIBRESKE-NEPJUHHUSA-N -1 0 315.347 -0.191 20 0 DBADRM COCCOCCC(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001574163026 1026716750 /nfs/dbraw/zinc/71/67/50/1026716750.db2.gz BDGUPAMLNJBZBP-CYBMUJFWSA-N -1 0 305.327 -0.632 20 0 DBADRM Cc1cnn(CC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)c1 ZINC001574179868 1026717230 /nfs/dbraw/zinc/71/72/30/1026717230.db2.gz LJRRRNDLSBXYMW-OLZOCXBDSA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1ccn(CC(=O)N[C@H](C)c2nc(C(=O)[O-])n[nH]2)c(=O)c1 ZINC001574173280 1026717552 /nfs/dbraw/zinc/71/75/52/1026717552.db2.gz WSZFXPAYIJCNKA-MRVPVSSYSA-N -1 0 305.294 -0.150 20 0 DBADRM Cc1cncc(S(=O)(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)c1 ZINC001574178700 1026717753 /nfs/dbraw/zinc/71/77/53/1026717753.db2.gz BCUMYZFKCUIDIT-MWLCHTKSSA-N -1 0 315.351 -0.361 20 0 DBADRM Cc1n[nH]c(C)c1CNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001574178645 1026717858 /nfs/dbraw/zinc/71/78/58/1026717858.db2.gz LKFQGNXOAWGJPW-SNVBAGLBSA-N -1 0 302.356 -0.090 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N(C)C[C@@H]2COCCO2)c1C(=O)[O-] ZINC001574179342 1026718128 /nfs/dbraw/zinc/71/81/28/1026718128.db2.gz SYVQUEVJWXRRON-MRVPVSSYSA-N -1 0 319.339 -0.548 20 0 DBADRM Cc1cnc(COCC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)o1 ZINC001574172542 1026718460 /nfs/dbraw/zinc/71/84/60/1026718460.db2.gz GCRJZPAOADWBFB-UWVGGRQHSA-N -1 0 313.310 -0.413 20 0 DBADRM Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)[C@H](O)CC(=O)[O-] ZINC001574165901 1026718567 /nfs/dbraw/zinc/71/85/67/1026718567.db2.gz IAINCDSKHROITM-DGCLKSJQSA-N -1 0 306.318 -0.170 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001574179383 1026718645 /nfs/dbraw/zinc/71/86/45/1026718645.db2.gz UFJBUXVEBNDLRS-IUCAKERBSA-N -1 0 318.355 -0.724 20 0 DBADRM CON(C(=O)c1cc(S(N)(=O)=O)ccc1F)[C@@H](C)C(=O)[O-] ZINC001574169729 1026718674 /nfs/dbraw/zinc/71/86/74/1026718674.db2.gz HGCIRTAFZYECCC-LURJTMIESA-N -1 0 320.298 -0.050 20 0 DBADRM Cc1nc(CCC(=O)[O-])cc(N2CC[C@@H](S(N)(=O)=O)C2)n1 ZINC001574187710 1026719484 /nfs/dbraw/zinc/71/94/84/1026719484.db2.gz LWLZJIKAPUGJOT-SNVBAGLBSA-N -1 0 314.367 -0.331 20 0 DBADRM Cc1nc(C(=O)N2CC3(C2)C[C@H](O)CNC3=O)ccc1C(=O)[O-] ZINC001574182574 1026719510 /nfs/dbraw/zinc/71/95/10/1026719510.db2.gz OXOWZXNTULLKDG-VIFPVBQESA-N -1 0 319.317 -0.589 20 0 DBADRM Cc1nc([C@H](C)NC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)no1 ZINC001574186959 1026719822 /nfs/dbraw/zinc/71/98/22/1026719822.db2.gz DDISETFGNQSIPH-XVYDVKMFSA-N -1 0 313.314 -0.291 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCC(=O)N2CCCC2)c1C(=O)[O-] ZINC001574182271 1026719835 /nfs/dbraw/zinc/71/98/35/1026719835.db2.gz LWFKICQNSDQZLG-UHFFFAOYSA-N -1 0 316.339 -0.683 20 0 DBADRM Cc1nc(CS(=O)(=O)N[C@@H](C(=O)[O-])C2CCOCC2)no1 ZINC001574187168 1026719920 /nfs/dbraw/zinc/71/99/20/1026719920.db2.gz CBQWPFUNBAMIDU-SNVBAGLBSA-N -1 0 319.339 -0.323 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCC[C@H](O)C2CC2)c1C(=O)[O-] ZINC001574182209 1026720218 /nfs/dbraw/zinc/72/02/18/1026720218.db2.gz JYZAJXREPBZBCW-QMMMGPOBSA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1nc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])nn1-c1nc[nH]n1 ZINC001574183194 1026720405 /nfs/dbraw/zinc/72/04/05/1026720405.db2.gz ZSAIIUYLTCFMIZ-QMMMGPOBSA-N -1 0 305.298 -0.323 20 0 DBADRM Cc1nc(N2CCS(=O)(=O)C[C@@H]2CCO)ncc1C(=O)[O-] ZINC001574187190 1026720443 /nfs/dbraw/zinc/72/04/43/1026720443.db2.gz CNYGZGUAJXWPGH-VIFPVBQESA-N -1 0 315.351 -0.531 20 0 DBADRM Cc1nc(C(=O)N[C@H](CO)CC2OCCO2)ccc1C(=O)[O-] ZINC001574180158 1026720620 /nfs/dbraw/zinc/72/06/20/1026720620.db2.gz CQHFLDKGXCEFMN-VIFPVBQESA-N -1 0 310.306 -0.058 20 0 DBADRM Cc1nc(C(=O)N2CC(O)(c3ncnn3C)C2)ccc1C(=O)[O-] ZINC001574181616 1026720682 /nfs/dbraw/zinc/72/06/82/1026720682.db2.gz CBGKTNNYQHGKDB-UHFFFAOYSA-N -1 0 317.305 -0.440 20 0 DBADRM Cc1conc1CS(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001574180935 1026720919 /nfs/dbraw/zinc/72/09/19/1026720919.db2.gz XPUKKUGLGHFPJW-SFYZADRCSA-N -1 0 319.339 -0.620 20 0 DBADRM Cc1ncc(C(=O)[O-])cc1C(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001574192537 1026721307 /nfs/dbraw/zinc/72/13/07/1026721307.db2.gz LZHUSSUGECJZOF-SECBINFHSA-N -1 0 316.335 -0.776 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@H](CO)CC(=O)[O-])C1 ZINC001574198065 1026722018 /nfs/dbraw/zinc/72/20/18/1026722018.db2.gz LLWCIBROUZTMKP-KWQFWETISA-N -1 0 310.310 -0.827 20 0 DBADRM Cc1ncc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C(N)=O ZINC001574192574 1026722128 /nfs/dbraw/zinc/72/21/28/1026722128.db2.gz TYKVSBCBBSZLSY-SNVBAGLBSA-N -1 0 308.294 -0.194 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@H](C)c2nc(C(=O)[O-])n[nH]2)cn1C ZINC001574191330 1026722505 /nfs/dbraw/zinc/72/25/05/1026722505.db2.gz DVAFTRAYOXNHLS-RXMQYKEDSA-N -1 0 314.327 -0.416 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H](C)c2nc(C(=O)[O-])n[nH]2)n1C ZINC001574191590 1026722583 /nfs/dbraw/zinc/72/25/83/1026722583.db2.gz LLPGBYDBNWNYSB-YFKPBYRVSA-N -1 0 314.327 -0.416 20 0 DBADRM Cc1nn(C)cc1CC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001574197962 1026722598 /nfs/dbraw/zinc/72/25/98/1026722598.db2.gz IWHASRKUNDYOGP-ZIAGYGMSSA-N -1 0 318.333 -0.031 20 0 DBADRM Cc1ncc(C(=O)[O-])cc1C(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001574193162 1026722901 /nfs/dbraw/zinc/72/29/01/1026722901.db2.gz QTGWVKLKIRIJTG-UHFFFAOYSA-N -1 0 318.289 -0.182 20 0 DBADRM Cc1ncc(C(=O)[O-])cc1C(=O)N1CC(O)(c2ncnn2C)C1 ZINC001574191789 1026722957 /nfs/dbraw/zinc/72/29/57/1026722957.db2.gz GPQNWJAHWRFRQV-UHFFFAOYSA-N -1 0 317.305 -0.440 20 0 DBADRM Cc1nn(C)cc1CC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001574197959 1026723162 /nfs/dbraw/zinc/72/31/62/1026723162.db2.gz IWHASRKUNDYOGP-KBPBESRZSA-N -1 0 318.333 -0.031 20 0 DBADRM Cc1noc(CCNC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001574198300 1026724216 /nfs/dbraw/zinc/72/42/16/1026724216.db2.gz SFQHMRYZMJWIEF-BDAKNGLRSA-N -1 0 313.314 -0.810 20 0 DBADRM Cc1nnc(N2CCN(C(=O)[O-])CC2)n1CCn1cncn1 ZINC001574200466 1026724324 /nfs/dbraw/zinc/72/43/24/1026724324.db2.gz MGBMZOVXQIBCOM-UHFFFAOYSA-N -1 0 306.330 -0.322 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N1CCN(C(=O)[O-])CC1 ZINC001574207134 1026724491 /nfs/dbraw/zinc/72/44/91/1026724491.db2.gz YFONUUXTPYRKII-UHFFFAOYSA-N -1 0 317.323 -0.329 20 0 DBADRM Cc1nnc(N2CCN(S(=O)(=O)CCC(=O)[O-])CC2)s1 ZINC001574200344 1026724577 /nfs/dbraw/zinc/72/45/77/1026724577.db2.gz LEWTXJBCYCISAK-UHFFFAOYSA-N -1 0 320.396 -0.227 20 0 DBADRM Cc1noc([C@@H]2OCC[C@@H]2NS(=O)(=O)CCC(=O)[O-])n1 ZINC001574204947 1026724796 /nfs/dbraw/zinc/72/47/96/1026724796.db2.gz GYRADMVSYTYLBK-IONNQARKSA-N -1 0 305.312 -0.398 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])o1 ZINC001574199378 1026724843 /nfs/dbraw/zinc/72/48/43/1026724843.db2.gz AIAGLZRLVHOJLF-VQVTYTSYSA-N -1 0 313.314 -0.284 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC001574208926 1026725670 /nfs/dbraw/zinc/72/56/70/1026725670.db2.gz KFFDCDQCILOGGZ-POYBYMJQSA-N -1 0 311.298 -0.727 20 0 DBADRM Cn1cc(Br)cc(NC(=O)[C@H](O)CC(=O)[O-])c1=O ZINC001574211862 1026725930 /nfs/dbraw/zinc/72/59/30/1026725930.db2.gz OUQAQQCRIWUOTE-SSDOTTSWSA-N -1 0 319.111 -0.078 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC001574208925 1026726143 /nfs/dbraw/zinc/72/61/43/1026726143.db2.gz KFFDCDQCILOGGZ-HTRCEHHLSA-N -1 0 311.298 -0.727 20 0 DBADRM Cn1cc(CNC(=O)[C@H]2CSCN2C(=O)[O-])c(=O)[nH]c1=O ZINC001574211742 1026726242 /nfs/dbraw/zinc/72/62/42/1026726242.db2.gz FAZZJMROYRNIJS-SSDOTTSWSA-N -1 0 314.323 -0.845 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001574208927 1026726829 /nfs/dbraw/zinc/72/68/29/1026726829.db2.gz KFFDCDQCILOGGZ-SVRRBLITSA-N -1 0 311.298 -0.727 20 0 DBADRM CC1SC(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)=NC1=O ZINC001574208237 1026727010 /nfs/dbraw/zinc/72/70/10/1026727010.db2.gz XISZPCLYWSBPIF-BQBZGAKWSA-N -1 0 301.324 -0.142 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC001574209552 1026727018 /nfs/dbraw/zinc/72/70/18/1026727018.db2.gz QHINGEMVZVKMTL-SSDOTTSWSA-N -1 0 316.339 -0.231 20 0 DBADRM Cc1sc(NC(=O)[C@@H]2CCS(=O)(=O)N2)nc1C(=O)[O-] ZINC001574208112 1026727282 /nfs/dbraw/zinc/72/72/82/1026727282.db2.gz RDSRKULZTQOUGD-YFKPBYRVSA-N -1 0 305.337 -0.220 20 0 DBADRM Cn1cc(CCNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)cn1 ZINC001574212513 1026727885 /nfs/dbraw/zinc/72/78/85/1026727885.db2.gz OOQIDECIZVRKBZ-GHMZBOCLSA-N -1 0 311.342 -0.768 20 0 DBADRM Cn1cc(CNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001574212439 1026728598 /nfs/dbraw/zinc/72/85/98/1026728598.db2.gz MTLFYDIFSWEBOP-MRVPVSSYSA-N -1 0 311.298 -0.963 20 0 DBADRM Cn1cc(CC(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)cn1 ZINC001574212461 1026729341 /nfs/dbraw/zinc/72/93/41/1026729341.db2.gz NTJPKOLKMDHXOT-QWHCGFSZSA-N -1 0 304.306 -0.339 20 0 DBADRM Cn1cc(S(=O)(=O)NC2CC(CC(N)=O)C2)cc1C(=O)[O-] ZINC001574219998 1026729516 /nfs/dbraw/zinc/72/95/16/1026729516.db2.gz IPWWISUWLHWFDI-UHFFFAOYSA-N -1 0 315.351 -0.344 20 0 DBADRM Cn1ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccncc2)cc1=O ZINC001574224110 1026730435 /nfs/dbraw/zinc/73/04/35/1026730435.db2.gz CVWYGVRWUDUXQN-OLZOCXBDSA-N -1 0 317.301 -0.303 20 0 DBADRM Cn1cnc(C(=O)N2CCC[C@@H]2c2n[nH]nc2C(=O)[O-])cc1=O ZINC001574220764 1026731827 /nfs/dbraw/zinc/73/18/27/1026731827.db2.gz HOSYHYPKFSMNTR-MRVPVSSYSA-N -1 0 318.293 -0.426 20 0 DBADRM Cn1nccc1C1(O)CN(C(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC001574227969 1026732602 /nfs/dbraw/zinc/73/26/02/1026732602.db2.gz DVAWYFYCDXLULO-QMMMGPOBSA-N -1 0 312.351 -0.497 20 0 DBADRM Cn1nncc1C(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001574229239 1026732713 /nfs/dbraw/zinc/73/27/13/1026732713.db2.gz WTVMLOFDXNDNER-HXUWFJFHSA-N -1 0 300.340 -0.747 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC001574229302 1026732827 /nfs/dbraw/zinc/73/28/27/1026732827.db2.gz ZALGAPDZNLENKT-SECBINFHSA-N -1 0 309.326 -0.765 20 0 DBADRM Cn1ncc(CCC(=O)N2CCC[C@H]2c2n[nH]nc2C(=O)[O-])n1 ZINC001574226889 1026733213 /nfs/dbraw/zinc/73/32/13/1026733213.db2.gz UASYONPFIXCCQN-VIFPVBQESA-N -1 0 319.325 -0.072 20 0 DBADRM Cn1ncc(C(=O)N2CCC(C(=O)[O-])([S@](C)=O)CC2)c1N ZINC001574226478 1026733298 /nfs/dbraw/zinc/73/32/98/1026733298.db2.gz HPILNKOHUNYGIW-NRFANRHFSA-N -1 0 314.367 -0.560 20 0 DBADRM Cn1ncc2cc(C(=O)N[C@H]3CN(C(=O)[O-])C[C@H]3CO)cnc21 ZINC001574228184 1026733792 /nfs/dbraw/zinc/73/37/92/1026733792.db2.gz HAHAWQIHRUCPCT-QWRGUYRKSA-N -1 0 319.321 -0.331 20 0 DBADRM Cn1ncc(C(=O)N2CCC[C@H]2c2n[nH]nc2C(=O)[O-])c1N ZINC001574226452 1026733968 /nfs/dbraw/zinc/73/39/68/1026733968.db2.gz GTDOKPJYTPZFLC-ZETCQYMHSA-N -1 0 305.298 -0.204 20 0 DBADRM CS(=O)(=O)C1(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCOCC1 ZINC001574241370 1026735365 /nfs/dbraw/zinc/73/53/65/1026735365.db2.gz BGGFCOPZPYCAOD-ZJUUUORDSA-N -1 0 319.379 -0.050 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)c2cn(CC(=O)[O-])nn2)CCC1 ZINC001574241393 1026735636 /nfs/dbraw/zinc/73/56/36/1026735636.db2.gz BVJSOTJVDGNPGQ-UHFFFAOYSA-N -1 0 316.339 -0.940 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001574243225 1026735863 /nfs/dbraw/zinc/73/58/63/1026735863.db2.gz SSSAMFBFZLNALD-XKSSXDPKSA-N -1 0 318.351 -0.312 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)C[C@@H]1C(N)=O ZINC001574247702 1026736132 /nfs/dbraw/zinc/73/61/32/1026736132.db2.gz FMYNXVNFRAHFHA-UWVGGRQHSA-N -1 0 305.290 -0.956 20 0 DBADRM NC(=O)[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1ccccn1 ZINC001574248466 1026736462 /nfs/dbraw/zinc/73/64/62/1026736462.db2.gz KBCOSHPCRIBCQA-GWCFXTLKSA-N -1 0 320.349 -0.479 20 0 DBADRM NC(=O)[C@@H](NC(=O)[C@H]1CSCN1C(=O)[O-])c1ccccn1 ZINC001574249913 1026736866 /nfs/dbraw/zinc/73/68/66/1026736866.db2.gz ULVBUPRWHGJVBL-BDAKNGLRSA-N -1 0 310.335 -0.223 20 0 DBADRM NC(=O)C12CCC(CC1)N2S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001574248887 1026737030 /nfs/dbraw/zinc/73/70/30/1026737030.db2.gz NBBRHAGHMVDNDG-XEVUQIKYSA-N -1 0 317.367 -0.738 20 0 DBADRM NC(=O)[C@@H](NC(=O)[C@@H]1CSCN1C(=O)[O-])c1ccccn1 ZINC001574249915 1026738087 /nfs/dbraw/zinc/73/80/87/1026738087.db2.gz ULVBUPRWHGJVBL-IUCAKERBSA-N -1 0 310.335 -0.223 20 0 DBADRM NC(=O)CSCC(=O)N1CC[C@@H](c2n[nH]cc2C(=O)[O-])C1 ZINC001574255039 1026740187 /nfs/dbraw/zinc/74/01/87/1026740187.db2.gz NESBERGEUJTIAR-SSDOTTSWSA-N -1 0 312.351 -0.358 20 0 DBADRM NC(=O)CN(C(=O)[C@@H]1CSCN1C(=O)[O-])C1CCOCC1 ZINC001574255120 1026740526 /nfs/dbraw/zinc/74/05/26/1026740526.db2.gz QVTJEJMXRKERFC-VIFPVBQESA-N -1 0 317.367 -0.468 20 0 DBADRM NC(=O)CC1(CNC(=O)N2C[C@@H](C(=O)[O-])C3(COC3)C2)CC1 ZINC001574250049 1026740606 /nfs/dbraw/zinc/74/06/06/1026740606.db2.gz VLSDRJFIHXSYDF-VIFPVBQESA-N -1 0 311.338 -0.615 20 0 DBADRM NC(=O)NC(=O)CN1CCN(c2nc(C(=O)[O-])cs2)CC1 ZINC001574257321 1026741615 /nfs/dbraw/zinc/74/16/15/1026741615.db2.gz WRZFJPFEHHUQLR-UHFFFAOYSA-N -1 0 313.339 -0.842 20 0 DBADRM NC(=O)[C@]12CCC[C@H]1CN(S(=O)(=O)C1(CC(=O)[O-])CC1)C2 ZINC001574259357 1026741841 /nfs/dbraw/zinc/74/18/41/1026741841.db2.gz MNAAWDTUESCQMK-ZANVPECISA-N -1 0 316.379 -0.089 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)C1 ZINC001574256462 1026742038 /nfs/dbraw/zinc/74/20/38/1026742038.db2.gz DRTLLPNDKUKCBK-QCZKYFFMSA-N -1 0 321.333 -0.414 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)NCc2[nH]cnc2C(=O)[O-])O1 ZINC001574257032 1026742334 /nfs/dbraw/zinc/74/23/34/1026742334.db2.gz SLMDGKJXORPTFH-APPZFPTMSA-N -1 0 310.310 -0.463 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NC2(CC(=O)[O-])CCOCC2)O1 ZINC001574256881 1026742656 /nfs/dbraw/zinc/74/26/56/1026742656.db2.gz ORANSYPCIFTRDU-DTWKUNHWSA-N -1 0 300.311 -0.841 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)cc1 ZINC001574260184 1026743204 /nfs/dbraw/zinc/74/32/04/1026743204.db2.gz WGHVURBEHKKJLY-GHMZBOCLSA-N -1 0 307.306 -0.514 20 0 DBADRM NC(=O)c1ccc(CC(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])cn1 ZINC001574259217 1026743398 /nfs/dbraw/zinc/74/33/98/1026743398.db2.gz IPDYZWWPEFOGHG-PWSUYJOCSA-N -1 0 321.333 -0.139 20 0 DBADRM NC(=O)NCCC(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC001574257525 1026743445 /nfs/dbraw/zinc/74/34/45/1026743445.db2.gz ZYRCSRLDBHQBHS-UHFFFAOYSA-N -1 0 309.322 -0.133 20 0 DBADRM NC(=O)c1coc(CNC(=O)CC2(C(=O)[O-])CCOCC2)n1 ZINC001574260252 1026743494 /nfs/dbraw/zinc/74/34/94/1026743494.db2.gz YPLVSUXDKQRPTR-UHFFFAOYSA-N -1 0 311.294 -0.339 20 0 DBADRM NC(=O)c1nccnc1C(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC001574261709 1026744114 /nfs/dbraw/zinc/74/41/14/1026744114.db2.gz DFVWVQJMUXFEFR-ZDUSSCGKSA-N -1 0 308.294 -0.813 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CCN1S(C)(=O)=O ZINC001574274962 1026744150 /nfs/dbraw/zinc/74/41/50/1026744150.db2.gz CBYAJDVMIOIKNU-KXUCPTDWSA-N -1 0 304.368 -0.411 20 0 DBADRM NC(=O)c1nccnc1C(=O)Nc1ncc(CC(=O)[O-])s1 ZINC001574262395 1026744219 /nfs/dbraw/zinc/74/42/19/1026744219.db2.gz MUFDSHCIMDQOIX-UHFFFAOYSA-N -1 0 307.291 -0.089 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCC(=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001574275005 1026744319 /nfs/dbraw/zinc/74/43/19/1026744319.db2.gz FWDZJVCALNCGDI-BDAKNGLRSA-N -1 0 307.372 -0.583 20 0 DBADRM N=C1NC(=O)C(CC(=O)NC[C@]2(C(=O)[O-])CCCOC2)S1 ZINC001574268764 1026745058 /nfs/dbraw/zinc/74/50/58/1026745058.db2.gz GMQQAZVYKCDUDJ-JVXZTZIISA-N -1 0 315.351 -0.460 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@H]1CS(N)(=O)=O ZINC001574275352 1026745806 /nfs/dbraw/zinc/74/58/06/1026745806.db2.gz MNZTWXIDMKLJCT-YTWAJWBKSA-N -1 0 318.395 -0.130 20 0 DBADRM NS(=O)(=O)C1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001574281026 1026746698 /nfs/dbraw/zinc/74/66/98/1026746698.db2.gz UALTUJSEQXKSBQ-UHFFFAOYSA-N -1 0 320.348 -0.954 20 0 DBADRM NS(=O)(=O)CCCC(=O)NCCc1nc(C(=O)[O-])cs1 ZINC001574280724 1026747058 /nfs/dbraw/zinc/74/70/58/1026747058.db2.gz PXKYQVNUCKNNOZ-UHFFFAOYSA-N -1 0 321.380 -0.431 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)c2cnc(C(=O)[O-])s2)C1 ZINC001574281117 1026747389 /nfs/dbraw/zinc/74/73/89/1026747389.db2.gz XBRVDODOIVUTPE-LURJTMIESA-N -1 0 319.364 -0.408 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(Cc2nc(C(=O)[O-])no2)C1 ZINC001574280365 1026748263 /nfs/dbraw/zinc/74/82/63/1026748263.db2.gz LXRKNDVBZXFWPI-SSDOTTSWSA-N -1 0 304.328 -0.732 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)C1 ZINC001574281108 1026748783 /nfs/dbraw/zinc/74/87/83/1026748783.db2.gz WVCCUEITPIJKSU-BDAKNGLRSA-N -1 0 320.371 -0.941 20 0 DBADRM Nc1ncn(CC(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC001574291938 1026749659 /nfs/dbraw/zinc/74/96/59/1026749659.db2.gz QKLMWZABQNCZNO-NSHDSACASA-N -1 0 303.322 -0.080 20 0 DBADRM Nc1nc(C(=O)[O-])nc(N2CCN(C(=O)NCC3CC3)CC2)n1 ZINC001574292080 1026749919 /nfs/dbraw/zinc/74/99/19/1026749919.db2.gz UOSLADRODAPGSQ-UHFFFAOYSA-N -1 0 321.341 -0.606 20 0 DBADRM Nc1ncc2c(n1)CN(C(=O)[C@@H]1CSCN1C(=O)[O-])CC2 ZINC001574291389 1026750286 /nfs/dbraw/zinc/75/02/86/1026750286.db2.gz GUXGMXXOGJCGOX-VIFPVBQESA-N -1 0 309.351 -0.004 20 0 DBADRM Nc1ncn(CC(=O)N2CC[C@H](c3n[nH]cc3C(=O)[O-])C2)n1 ZINC001574291182 1026750968 /nfs/dbraw/zinc/75/09/68/1026750968.db2.gz CJDAUSFQYWKVOR-ZETCQYMHSA-N -1 0 305.298 -0.702 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@@H]1COC(=O)C1)[C@@H](O)c1ccncc1 ZINC001574293767 1026752104 /nfs/dbraw/zinc/75/21/04/1026752104.db2.gz OFUIVIBVLXGWQB-HJIKLVIJSA-N -1 0 308.290 -0.362 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@@H]1COC(=O)C1)[C@@H](O)c1ccncc1 ZINC001574293766 1026753571 /nfs/dbraw/zinc/75/35/71/1026753571.db2.gz OFUIVIBVLXGWQB-CKLFPEKLSA-N -1 0 308.290 -0.362 20 0 DBADRM O=C([O-])[C@H](NC(=O)CNC(=O)C1CC1)[C@H](O)c1cccnc1 ZINC001574300117 1026753994 /nfs/dbraw/zinc/75/39/94/1026753994.db2.gz BCEQCJWVIAHIOX-VXGBXAGGSA-N -1 0 307.306 -0.789 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CC1OCCCO1)[C@@H](O)c1cccnc1 ZINC001574294028 1026754066 /nfs/dbraw/zinc/75/40/66/1026754066.db2.gz UFBZESANGNXQKQ-STQMWFEESA-N -1 0 310.306 -0.163 20 0 DBADRM O=C(Cc1nnc(C2CC2)[nH]1)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001574301627 1026755093 /nfs/dbraw/zinc/75/50/93/1026755093.db2.gz DNBVQABTKFUIGK-BDAKNGLRSA-N -1 0 309.326 -0.689 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)Cn2nnc3ccccc32)C1 ZINC001574301665 1026755484 /nfs/dbraw/zinc/75/54/84/1026755484.db2.gz FNPHDLLJGUXCLD-ONGXEEELSA-N -1 0 319.321 -0.482 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CC1C(=O)N=CNC1=O)[C@@H]1CCCOC1 ZINC001574302710 1026755588 /nfs/dbraw/zinc/75/55/88/1026755588.db2.gz MTFBFYLZQLARSE-XCBNKYQSSA-N -1 0 311.294 -0.574 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)Cc1ccccc1O[C@H]1CCOC1 ZINC001574302876 1026755676 /nfs/dbraw/zinc/75/56/76/1026755676.db2.gz RNKGHASZSMIZHP-NWDGAFQWSA-N -1 0 309.318 -0.042 20 0 DBADRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)c1ccn2nnnc2c1 ZINC001574308109 1026756456 /nfs/dbraw/zinc/75/64/56/1026756456.db2.gz FYUPEHCGTJGHGY-VHSXEESVSA-N -1 0 305.294 -0.124 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1cnncc1O)[C@H](O)c1cccnc1 ZINC001574309716 1026756507 /nfs/dbraw/zinc/75/65/07/1026756507.db2.gz ZJIAIFSYUZLZTP-WDEREUQCSA-N -1 0 304.262 -0.506 20 0 DBADRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)c1nc2n(n1)CCCN2 ZINC001574307806 1026756792 /nfs/dbraw/zinc/75/67/92/1026756792.db2.gz BYMUJPXJHBIQBL-RKDXNWHRSA-N -1 0 309.326 -0.897 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1cn(C2CC2)nn1)[C@H](O)c1ccncc1 ZINC001574308096 1026757599 /nfs/dbraw/zinc/75/75/99/1026757599.db2.gz FUHMFCDFJMFCAZ-VXGBXAGGSA-N -1 0 317.305 -0.075 20 0 DBADRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)c1ccc2nnnn2c1 ZINC001574309490 1026757812 /nfs/dbraw/zinc/75/78/12/1026757812.db2.gz XBTIVJLVIQHGQS-NXEZZACHSA-N -1 0 305.294 -0.124 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001574314436 1026758804 /nfs/dbraw/zinc/75/88/04/1026758804.db2.gz YVJIFTUPEAVVJB-LPEHRKFASA-N -1 0 306.322 -0.012 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2cnc3nccnc3c2)C1 ZINC001574312234 1026758880 /nfs/dbraw/zinc/75/88/80/1026758880.db2.gz YBIZPFKPWMMKCL-MWLCHTKSSA-N -1 0 317.305 -0.275 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2cc3n(n2)CCCO3)C1 ZINC001574312206 1026758964 /nfs/dbraw/zinc/75/89/64/1026758964.db2.gz XOJGKMQUFSRQES-WCBMZHEXSA-N -1 0 310.310 -0.634 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001574311517 1026759201 /nfs/dbraw/zinc/75/92/01/1026759201.db2.gz JJMURVVSWAYZAJ-XHVZSJERSA-N -1 0 320.349 -0.332 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2cccc3ncnn32)C1 ZINC001574311369 1026759479 /nfs/dbraw/zinc/75/94/79/1026759479.db2.gz HYBUNDJVROZTGT-DTWKUNHWSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001574311264 1026759491 /nfs/dbraw/zinc/75/94/91/1026759491.db2.gz FZHDKZPSNQTXNZ-BXKDBHETSA-N -1 0 321.333 -0.024 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2cnc3nccnc3c2)C1 ZINC001574312232 1026759572 /nfs/dbraw/zinc/75/95/72/1026759572.db2.gz YBIZPFKPWMMKCL-GXSJLCMTSA-N -1 0 317.305 -0.275 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2cnn3ncccc23)C1 ZINC001574311921 1026759599 /nfs/dbraw/zinc/75/95/99/1026759599.db2.gz QQHVBYHNDUPFSJ-WPRPVWTQSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2csc(CO)n2)C1 ZINC001574311170 1026759989 /nfs/dbraw/zinc/75/99/89/1026759989.db2.gz FCYYTOQEHXHIEI-BQBZGAKWSA-N -1 0 301.324 -0.664 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)NCC[C@@H]2CCOC2)C1 ZINC001574319181 1026761121 /nfs/dbraw/zinc/76/11/21/1026761121.db2.gz HLWMCUYHYXGMOB-GMTAPVOTSA-N -1 0 301.343 -0.317 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)NCCc2ccns2)C1 ZINC001574323905 1026761407 /nfs/dbraw/zinc/76/14/07/1026761407.db2.gz QZZPACHYJKYKQU-PSASIEDQSA-N -1 0 314.367 -0.045 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@]23COC(=O)N2CCOC3)C1 ZINC001574319838 1026761857 /nfs/dbraw/zinc/76/18/57/1026761857.db2.gz VIYAPSHEIOCYKF-IMSIIYSGSA-N -1 0 312.322 -0.175 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)NC[C@@H]2CCCCO2)C1 ZINC001574318936 1026762314 /nfs/dbraw/zinc/76/23/14/1026762314.db2.gz CRTWNSQBIIMPGG-OUAUKWLOSA-N -1 0 301.343 -0.175 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)NCCc2cccnc2)[C@@H](CO)C1 ZINC001574323686 1026762364 /nfs/dbraw/zinc/76/23/64/1026762364.db2.gz PDBDSTPKBCYNBH-NEPJUHHUSA-N -1 0 308.338 -0.106 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=NN(CCO)C(=O)CC1 ZINC001574332595 1026763051 /nfs/dbraw/zinc/76/30/51/1026763051.db2.gz SKYGTPHLBMMORJ-ZJUUUORDSA-N -1 0 311.338 -0.283 20 0 DBADRM O=C([O-])c1cc(CNC(=O)NC[C@@H](O)COCC2CC2)on1 ZINC001574327110 1026763180 /nfs/dbraw/zinc/76/31/80/1026763180.db2.gz WADFEOAFHOKFOI-SECBINFHSA-N -1 0 313.310 -0.041 20 0 DBADRM O=C([O-])c1nc(NC(=O)c2cc(N3CCOCC3)ncn2)c[nH]1 ZINC001574338784 1026763583 /nfs/dbraw/zinc/76/35/83/1026763583.db2.gz PYNOAGLFHFRTEZ-UHFFFAOYSA-N -1 0 318.293 -0.013 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC001574344431 1026764591 /nfs/dbraw/zinc/76/45/91/1026764591.db2.gz BFCMRCLZBQOGNW-GSVOUGTGSA-N -1 0 303.218 -0.848 20 0 DBADRM O=C([O-])c1csc(CNC(=O)C2=CCS(=O)(=O)C2)n1 ZINC001574331253 1026764646 /nfs/dbraw/zinc/76/46/46/1026764646.db2.gz VCVAAHXOEQDAPB-UHFFFAOYSA-N -1 0 302.333 -0.188 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)NCCc2ccncc2)C1 ZINC001574323981 1026764956 /nfs/dbraw/zinc/76/49/56/1026764956.db2.gz YAHPWRJBUGICRD-NWDGAFQWSA-N -1 0 308.338 -0.106 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2nnc3ccccc32)CC12COC2 ZINC001574355667 1026765989 /nfs/dbraw/zinc/76/59/89/1026765989.db2.gz HBLBHMQOLDIAKD-JTQLQIEISA-N -1 0 316.317 -0.009 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21)[C@@H](O)c1ccncc1 ZINC001574352763 1026766106 /nfs/dbraw/zinc/76/61/06/1026766106.db2.gz HZECFQZHOOFHJD-WECGXBHGSA-N -1 0 304.302 -0.091 20 0 DBADRM O=C([O-])[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@@H]3COCC[C@@H]32)C1 ZINC001574355477 1026766366 /nfs/dbraw/zinc/76/63/66/1026766366.db2.gz DGLDMOINFZBVRJ-FRRDWIJNSA-N -1 0 312.366 -0.201 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001574346183 1026766590 /nfs/dbraw/zinc/76/65/90/1026766590.db2.gz PLTCCDLACHAZMD-VQVTYTSYSA-N -1 0 321.273 -0.539 20 0 DBADRM O=C([O-])[C@@H](CC1CC1)NS(=O)(=O)CCN1CCOC1=O ZINC001574347083 1026766776 /nfs/dbraw/zinc/76/67/76/1026766776.db2.gz VSFXCYPGRWGLDE-SECBINFHSA-N -1 0 306.340 -0.389 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)Nc2cnc3ccnn3c2)C1 ZINC001574345615 1026767072 /nfs/dbraw/zinc/76/70/72/1026767072.db2.gz LSTAFXXKJZJDSZ-WPRPVWTQSA-N -1 0 320.309 -0.179 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)Nc2ccnc3ccnn32)C1 ZINC001574346524 1026767567 /nfs/dbraw/zinc/76/75/67/1026767567.db2.gz XWASRNRBWBLMRZ-DTWKUNHWSA-N -1 0 320.309 -0.179 20 0 DBADRM O=C([O-])[C@@H]1CSCN1C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001574358506 1026767896 /nfs/dbraw/zinc/76/78/96/1026767896.db2.gz WZLVVELTRPKLAI-ATVNZZIWSA-N -1 0 313.331 -0.307 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@@H](O)c1cncs1 ZINC001574355920 1026768001 /nfs/dbraw/zinc/76/80/01/1026768001.db2.gz SKUCMEAPJLXJMS-JGVFFNPUSA-N -1 0 321.380 -0.440 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC1(n2cccn2)CC1 ZINC001574355972 1026768243 /nfs/dbraw/zinc/76/82/43/1026768243.db2.gz UZNSJQGRZZIXOP-JTQLQIEISA-N -1 0 314.367 -0.244 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3n(n2)CCC[C@H]3O)CC12COC2 ZINC001574356192 1026768651 /nfs/dbraw/zinc/76/86/51/1026768651.db2.gz ZUDCCNKZHTXRLP-JOYOIKCWSA-N -1 0 321.333 -0.117 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001574358413 1026769333 /nfs/dbraw/zinc/76/93/33/1026769333.db2.gz WEBJWUFSLOHUNQ-FFIJEWMLSA-N -1 0 304.302 -0.152 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)N=S2(=O)CCCC2)CCO1 ZINC001574355781 1026769379 /nfs/dbraw/zinc/76/93/79/1026769379.db2.gz LVKIWIWRQJPRSB-QMMMGPOBSA-N -1 0 312.369 -0.722 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)N1CC[C@@H](O)[C@@H](O)C1)C(F)(F)F ZINC001574357231 1026769523 /nfs/dbraw/zinc/76/95/23/1026769523.db2.gz POSQNWMJAFMICH-DSYKOEDSSA-N -1 0 300.233 -0.471 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC001574356475 1026769861 /nfs/dbraw/zinc/76/98/61/1026769861.db2.gz HIULMDSJAINZNH-SNVBAGLBSA-N -1 0 309.322 -0.184 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC001574362125 1026770245 /nfs/dbraw/zinc/77/02/45/1026770245.db2.gz JWVIJUQPOMNGKR-CYBMUJFWSA-N -1 0 320.345 -0.265 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)Nc1cccnc1N1CCC(O)CC1 ZINC001574364659 1026770633 /nfs/dbraw/zinc/77/06/33/1026770633.db2.gz GRSKWWNXCNIRIW-NSHDSACASA-N -1 0 309.322 -0.183 20 0 DBADRM O=C([O-])CCC(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001574361373 1026770645 /nfs/dbraw/zinc/77/06/45/1026770645.db2.gz FNEQKNPRIYYRLF-UHFFFAOYSA-N -1 0 321.333 -0.600 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC001574362839 1026770966 /nfs/dbraw/zinc/77/09/66/1026770966.db2.gz MDJYQPOHHLJMMU-NHCYSSNCSA-N -1 0 301.339 -0.352 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)n1 ZINC001574374980 1026772027 /nfs/dbraw/zinc/77/20/27/1026772027.db2.gz CABPXUWGJTVBIJ-BBBLOLIVSA-N -1 0 310.310 -0.107 20 0 DBADRM O=C([O-])CN(C1CCC1)S(=O)(=O)CCN1CCOC1=O ZINC001574368583 1026772263 /nfs/dbraw/zinc/77/22/63/1026772263.db2.gz VVXQGLGFTMPAKB-UHFFFAOYSA-N -1 0 306.340 -0.293 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)COC1 ZINC001574365511 1026772431 /nfs/dbraw/zinc/77/24/31/1026772431.db2.gz YAYMDUOWWBVFTR-QMMMGPOBSA-N -1 0 308.294 -0.878 20 0 DBADRM O=C([O-])CNC(=O)C1CCN(C(=O)c2cnn3c2CCC3)CC1 ZINC001574371189 1026772659 /nfs/dbraw/zinc/77/26/59/1026772659.db2.gz AONGLTQQCUWZGZ-UHFFFAOYSA-N -1 0 320.349 -0.118 20 0 DBADRM O=C([O-])CNC(=O)C1CCN(C(=O)c2cc(=O)cc[nH]2)CC1 ZINC001574371605 1026772899 /nfs/dbraw/zinc/77/28/99/1026772899.db2.gz GXRWKEBBJVLMMV-UHFFFAOYSA-N -1 0 307.306 -0.572 20 0 DBADRM O=C([O-])Cc1nnc(NC(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)s1 ZINC001574374960 1026772994 /nfs/dbraw/zinc/77/29/94/1026772994.db2.gz BVBBYMXQIHQTPM-QYNIQEEDSA-N -1 0 316.339 -0.439 20 0 DBADRM O=C([O-])CCS(=O)(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001574368570 1026773044 /nfs/dbraw/zinc/77/30/44/1026773044.db2.gz VHLWWIJYUAKQPI-VXGBXAGGSA-N -1 0 315.347 -0.085 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)NCCn2cncn2)c1 ZINC001574371413 1026773656 /nfs/dbraw/zinc/77/36/56/1026773656.db2.gz RVJSOVCACSPRKO-UHFFFAOYSA-N -1 0 310.335 -0.116 20 0 DBADRM O=C([O-])CC1(NC(=O)c2cncc(-n3ccnn3)c2)COC1 ZINC001574365493 1026774189 /nfs/dbraw/zinc/77/41/89/1026774189.db2.gz XLSVPOHGLMDRCF-UHFFFAOYSA-N -1 0 303.278 -0.364 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)N2C[C@@H](CO)[C@H](CO)C2)n1 ZINC001574375531 1026774464 /nfs/dbraw/zinc/77/44/64/1026774464.db2.gz POPGOVKCYGLXNW-YUMQZZPRSA-N -1 0 315.351 -0.165 20 0 DBADRM O=C([O-])Cn1cccc(NC(=O)N[C@@H]2COCC[C@H]2O)c1=O ZINC001574375714 1026774662 /nfs/dbraw/zinc/77/46/62/1026774662.db2.gz XXGFIAAOXDEFTC-NXEZZACHSA-N -1 0 311.294 -0.796 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)C2CC3(C2)CS(=O)(=O)C3)n1 ZINC001574375694 1026774798 /nfs/dbraw/zinc/77/47/98/1026774798.db2.gz WYHJTQCSCKDCFY-UHFFFAOYSA-N -1 0 314.323 -0.874 20 0 DBADRM O=C([O-])Cn1cccc(NC(=O)N2CCNC(=O)CC2)c1=O ZINC001574375124 1026775312 /nfs/dbraw/zinc/77/53/12/1026775312.db2.gz FXPOQKUTTXWAEJ-UHFFFAOYSA-N -1 0 308.294 -0.713 20 0 DBADRM O=C([O-])N1C[C@H](NS(=O)(=O)c2ccccn2)[C@@H](CO)C1 ZINC001574376622 1026775347 /nfs/dbraw/zinc/77/53/47/1026775347.db2.gz HCPBHMONCKEPTP-BDAKNGLRSA-N -1 0 301.324 -0.669 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)N2CC[C@@]3(CCOC3=O)C2)n1 ZINC001574375303 1026775496 /nfs/dbraw/zinc/77/54/96/1026775496.db2.gz JONVETRQXKBFKX-GFCCVEGCSA-N -1 0 309.282 -0.466 20 0 DBADRM O=C([O-])N1CCC(S(=O)(=O)N[C@@H](CO)c2ncc[nH]2)CC1 ZINC001574376629 1026775847 /nfs/dbraw/zinc/77/58/47/1026775847.db2.gz HFPYGFYSAHEHGY-VIFPVBQESA-N -1 0 318.355 -0.495 20 0 DBADRM O=C([O-])N1CCCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CC1 ZINC001574377184 1026776003 /nfs/dbraw/zinc/77/60/03/1026776003.db2.gz NYYCUWNMLJMZAF-GHMZBOCLSA-N -1 0 309.326 -0.200 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NS(=O)(=O)c2cncc(F)c2)C1 ZINC001574377179 1026776170 /nfs/dbraw/zinc/77/61/70/1026776170.db2.gz NXBMEYUFGOSNNE-OIBJUYFYSA-N -1 0 319.314 -0.530 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)N1CCC[C@@H](CO)[C@H]1CO ZINC001574380968 1026776717 /nfs/dbraw/zinc/77/67/17/1026776717.db2.gz OSDIERCKCPOGCL-IVZWLZJFSA-N -1 0 304.368 -0.369 20 0 DBADRM O=C([O-])NCC(=O)N[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC001574381233 1026776917 /nfs/dbraw/zinc/77/69/17/1026776917.db2.gz YZWJIAQHUPRELQ-ZCFIWIBFSA-N -1 0 315.717 -0.202 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(N)=O ZINC001574398465 1026777260 /nfs/dbraw/zinc/77/72/60/1026777260.db2.gz UMDCQVMDNFLAPJ-QMMMGPOBSA-N -1 0 314.327 -0.752 20 0 DBADRM O=C([O-])[C@@H]1C2CCC(CC2)N1S(=O)(=O)[C@@H]1COC[C@H]1O ZINC001574385871 1026777594 /nfs/dbraw/zinc/77/75/94/1026777594.db2.gz XGUBUHNLNYYDHQ-LKGNBDPISA-N -1 0 305.352 -0.597 20 0 DBADRM O=C([O-])N[C@H]1CCCN(C(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001574380835 1026778226 /nfs/dbraw/zinc/77/82/26/1026778226.db2.gz JPEKBFMOHMEDMO-ZETCQYMHSA-N -1 0 319.268 -0.308 20 0 DBADRM O=C([O-])NCCC(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC001574380686 1026779020 /nfs/dbraw/zinc/77/90/20/1026779020.db2.gz DEGKQBBVBZXWSU-UHFFFAOYSA-N -1 0 310.314 -0.496 20 0 DBADRM O=C([O-])c1cc(CNS(=O)(=O)CCn2cccn2)on1 ZINC001574409392 1026779896 /nfs/dbraw/zinc/77/98/96/1026779896.db2.gz YZXUNFBYGBXWLG-UHFFFAOYSA-N -1 0 300.296 -0.311 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@H]2C(=O)NCC23CCOCC3)on1 ZINC001574408254 1026780386 /nfs/dbraw/zinc/78/03/86/1026780386.db2.gz IZXFSNGAHWSLCQ-VIFPVBQESA-N -1 0 309.278 -0.602 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CC(=O)N(C2CC2)C1 ZINC001574415731 1026781231 /nfs/dbraw/zinc/78/12/31/1026781231.db2.gz VJCQCFNASROHJN-UHFFFAOYSA-N -1 0 300.296 -0.939 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@@H]21 ZINC001574403570 1026781386 /nfs/dbraw/zinc/78/13/86/1026781386.db2.gz SGZISGYZXHNBAH-OUAUKWLOSA-N -1 0 301.364 -0.010 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CC[C@](O)(C(F)F)C1 ZINC001574415710 1026781490 /nfs/dbraw/zinc/78/14/90/1026781490.db2.gz UEWPONZUXNDTIZ-SECBINFHSA-N -1 0 311.266 -0.502 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001574417595 1026782108 /nfs/dbraw/zinc/78/21/08/1026782108.db2.gz OKYJIKAYEHZHAZ-FJXKBIBVSA-N -1 0 317.323 -0.810 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@@H]1CCCN(CCF)C1 ZINC001574418396 1026782680 /nfs/dbraw/zinc/78/26/80/1026782680.db2.gz WWJGLJFUAGAKMH-MRVPVSSYSA-N -1 0 320.346 -0.180 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)cc1 ZINC001574415755 1026782981 /nfs/dbraw/zinc/78/29/81/1026782981.db2.gz XDKFEFRRSVKIDN-QWRGUYRKSA-N -1 0 315.347 -0.394 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001574416849 1026783122 /nfs/dbraw/zinc/78/31/22/1026783122.db2.gz AJBCXXVAVQUDKZ-ALXASZRJSA-N -1 0 313.335 -0.190 20 0 DBADRM Cc1n[nH]cc1CNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574416066 1026783236 /nfs/dbraw/zinc/78/32/36/1026783236.db2.gz POSJAZVOFYSDGP-LLVKDONJSA-N -1 0 323.353 -0.017 20 0 DBADRM Cc1nc([C@@H](C)NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)no1 ZINC001574417208 1026783833 /nfs/dbraw/zinc/78/38/33/1026783833.db2.gz KOYHZSLPVRHOBR-VXNVDRBHSA-N -1 0 310.310 -0.122 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@H]1CCCN1C(=O)C[C@H]1CCNC1=O ZINC001574423816 1026784841 /nfs/dbraw/zinc/78/48/41/1026784841.db2.gz XFURXHJNPLMKJL-HTQZYQBOSA-N -1 0 307.310 -0.307 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)c2[nH]ncc2Br)n1 ZINC001574423704 1026785367 /nfs/dbraw/zinc/78/53/67/1026785367.db2.gz YUTJPZNZCREDQO-UHFFFAOYSA-N -1 0 315.087 -0.082 20 0 DBADRM O=C([O-])c1noc(CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)n1 ZINC001574430207 1026785947 /nfs/dbraw/zinc/78/59/47/1026785947.db2.gz YLYPCDLNRVAXMF-HTQZYQBOSA-N -1 0 301.324 -0.366 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@H]1CCC(=O)NC1)[C@@H](O)c1ccncc1 ZINC001574430659 1026786073 /nfs/dbraw/zinc/78/60/73/1026786073.db2.gz KKLRCVNBDZPVDJ-IIMNLJJBSA-N -1 0 321.333 -0.399 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)C1 ZINC001574430867 1026786212 /nfs/dbraw/zinc/78/62/12/1026786212.db2.gz NFTLQKFGCGHRNX-IVZWLZJFSA-N -1 0 312.326 -0.962 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCC[C@@H]2CNC(=O)C2)CC1 ZINC001574430889 1026786230 /nfs/dbraw/zinc/78/62/30/1026786230.db2.gz NQUUNXJPKOGRRI-VIFPVBQESA-N -1 0 319.383 -0.856 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@H]1CCCN1C(=O)[C@H]1CCCC(=O)N1 ZINC001574430676 1026786366 /nfs/dbraw/zinc/78/63/66/1026786366.db2.gz KVXSPZMBFDEHTC-HTQZYQBOSA-N -1 0 307.310 -0.165 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)NC3(C(=O)[O-])CCOCC3)C2)cn1 ZINC001574453944 1026789805 /nfs/dbraw/zinc/78/98/05/1026789805.db2.gz LTRXWNFXSPZVJO-LLVKDONJSA-N -1 0 322.321 -0.337 20 0 DBADRM Cn1ccn2c(CNC(=O)[C@@H](C(=O)[O-])C3CC3)nnc2c1=O ZINC001574456471 1026789969 /nfs/dbraw/zinc/78/99/69/1026789969.db2.gz KVNRMXPUAXNCDO-VIFPVBQESA-N -1 0 305.294 -0.845 20 0 DBADRM Cn1cc(/C=C/C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cn1 ZINC001574458222 1026791457 /nfs/dbraw/zinc/79/14/57/1026791457.db2.gz NTCDMNNXIVQTHH-VMZHVLLKSA-N -1 0 313.335 -0.857 20 0 DBADRM NC(=O)Cn1ccc(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)n1 ZINC001574500493 1026792416 /nfs/dbraw/zinc/79/24/16/1026792416.db2.gz OJTKOKBFEVMQSN-DTWKUNHWSA-N -1 0 310.310 -0.423 20 0 DBADRM Nc1c(F)cccc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001574506940 1026792612 /nfs/dbraw/zinc/79/26/12/1026792612.db2.gz OIIMVSSEEDYSDA-VIFPVBQESA-N -1 0 316.310 -0.268 20 0 DBADRM NS(=O)(=O)C1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001574507372 1026792626 /nfs/dbraw/zinc/79/26/26/1026792626.db2.gz LLSCUBBZIFGAKK-BDAKNGLRSA-N -1 0 319.383 -0.298 20 0 DBADRM NC(=O)c1ncn(CC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)n1 ZINC001574502964 1026793444 /nfs/dbraw/zinc/79/34/44/1026793444.db2.gz MQYATZBETMUUQL-JTQLQIEISA-N -1 0 321.268 -0.542 20 0 DBADRM NC(=O)C[C@@H]1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001574497280 1026793581 /nfs/dbraw/zinc/79/35/81/1026793581.db2.gz VBNXSGJUAADUPV-VIFPVBQESA-N -1 0 307.306 -0.730 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001574506544 1026793745 /nfs/dbraw/zinc/79/37/45/1026793745.db2.gz CYQBPXRJSBEELC-OPRDCNLKSA-N -1 0 304.368 -0.233 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001574512691 1026793891 /nfs/dbraw/zinc/79/38/91/1026793891.db2.gz VFKIEELEBFDISU-ZKCHVHJHSA-N -1 0 304.310 -0.222 20 0 DBADRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)NCC(F)F ZINC001574560220 1026794246 /nfs/dbraw/zinc/79/42/46/1026794246.db2.gz RLZNCGQUFYLGNW-VIFPVBQESA-N -1 0 316.260 -0.115 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)N[C@@H]1COC[C@@H]1O)O2 ZINC001574565257 1026795211 /nfs/dbraw/zinc/79/52/11/1026795211.db2.gz UWZYCOVTVFUKAA-KQJQQVTASA-N -1 0 314.338 -0.542 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CCCNC(=O)C1CC1)C2 ZINC001574567518 1026796171 /nfs/dbraw/zinc/79/61/71/1026796171.db2.gz IQCRWVGWDPMUNX-NHYWBVRUSA-N -1 0 310.350 -0.148 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCCC(=O)Nc2ncc[nH]2)cn1 ZINC001574521603 1026796196 /nfs/dbraw/zinc/79/61/96/1026796196.db2.gz MMEYPYANIAJXRW-UHFFFAOYSA-N -1 0 304.266 -0.344 20 0 DBADRM COc1ccc([C@@H](CC(=O)NC[C@H](O)C(=O)[O-])NC(C)=O)cc1 ZINC001574616531 1026798761 /nfs/dbraw/zinc/79/87/61/1026798761.db2.gz BXUOOASDZUORNB-OLZOCXBDSA-N -1 0 324.333 -0.176 20 0 DBADRM O=C([O-])CCCNC(=O)N(CCO)CCN1CCOCC1 ZINC001574702152 1026801185 /nfs/dbraw/zinc/80/11/85/1026801185.db2.gz NWMHLWJEOMONSJ-UHFFFAOYSA-N -1 0 303.359 -0.813 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(F)cn1 ZINC001574670156 1026801486 /nfs/dbraw/zinc/80/14/86/1026801486.db2.gz YOVLRNPDOMKXEG-SECBINFHSA-N -1 0 302.283 -0.456 20 0 DBADRM O=C([O-])CC1(C(=O)N2CCN(c3nc[nH]n3)CC2)CCOCC1 ZINC001574667611 1026801869 /nfs/dbraw/zinc/80/18/69/1026801869.db2.gz PBLYYEWUWPEEQV-UHFFFAOYSA-N -1 0 323.353 -0.275 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cncc2[nH]ccc21 ZINC001574669426 1026801939 /nfs/dbraw/zinc/80/19/39/1026801939.db2.gz SRNMKRCMBGFJOW-LLVKDONJSA-N -1 0 323.330 -0.113 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)NC[C@H]1COCCO1)C(=O)[O-] ZINC000424513938 282081155 /nfs/dbraw/zinc/08/11/55/282081155.db2.gz FMQJUZBHFFTPLX-JTQLQIEISA-N -1 0 316.354 -0.475 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCCc2nc(N)no2)c1 ZINC000424691017 412489258 /nfs/dbraw/zinc/48/92/58/412489258.db2.gz MOPYEMWLLBFOQF-JOCHJYFZSA-N -1 0 324.362 0.127 20 0 DBADRM COCCN=c1[n-]nc(Sc2nc(N)nc(N)n2)s1 ZINC000623803477 412489339 /nfs/dbraw/zinc/48/93/39/412489339.db2.gz HNAULHRZDLERGB-UHFFFAOYSA-N -1 0 300.373 -0.651 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1Cc1nc(N)nc(N(C)C)n1 ZINC000643878071 412490989 /nfs/dbraw/zinc/49/09/89/412490989.db2.gz IQEVIUVXMIAPKF-CYBMUJFWSA-N -1 0 310.358 -0.415 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cn1 ZINC000263336413 290625877 /nfs/dbraw/zinc/62/58/77/290625877.db2.gz WICYAMPJFOLYIS-JTQLQIEISA-N -1 0 307.306 -0.243 20 0 DBADRM CSCC[C@@H](NS(=O)(=O)c1c(C)onc1N)C(=O)[O-] ZINC000563226330 412496476 /nfs/dbraw/zinc/49/64/76/412496476.db2.gz JEFCIUKBQYMNHI-ZCFIWIBFSA-N -1 0 309.369 0.050 20 0 DBADRM CCC(CC)N1C[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])CC1=O ZINC000262473939 282189537 /nfs/dbraw/zinc/18/95/37/282189537.db2.gz HBLMXJUBYWPKCV-XPTSAGLGSA-N -1 0 300.355 -0.025 20 0 DBADRM CNC(=O)[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(C)C ZINC000428140467 529898407 /nfs/dbraw/zinc/89/84/07/529898407.db2.gz VVJRNGMEDBEEOD-VIFPVBQESA-N -1 0 319.321 -0.064 20 0 DBADRM Nc1nc(N2CCc3[nH]nc(C(=O)[O-])c3C2)ncc1[N+](=O)[O-] ZINC000572246451 412524264 /nfs/dbraw/zinc/52/42/64/412524264.db2.gz BYJAIKRZYCKKET-UHFFFAOYSA-N -1 0 305.254 -0.049 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)/C=C\c1ccnn1C ZINC000493433587 412527061 /nfs/dbraw/zinc/52/70/61/412527061.db2.gz MVKGQCOQOAZNPM-ARJAWSKDSA-N -1 0 311.323 -0.183 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000646042420 412527212 /nfs/dbraw/zinc/52/72/12/412527212.db2.gz SWTBQKRTDIVRLU-SSDOTTSWSA-N -1 0 305.312 -0.571 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000571808580 412530880 /nfs/dbraw/zinc/53/08/80/412530880.db2.gz HYQGDKQJIZDVTF-YUMQZZPRSA-N -1 0 319.339 -0.277 20 0 DBADRM Nc1nsc(N2CCN(C(=O)N=c3cccn[n-]3)CC2)n1 ZINC000362196616 412543153 /nfs/dbraw/zinc/54/31/53/412543153.db2.gz CTGYBHQSBMBNMT-UHFFFAOYSA-N -1 0 306.355 -0.314 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H](C)C(=O)[O-] ZINC000564698966 412544037 /nfs/dbraw/zinc/54/40/37/412544037.db2.gz CHVYGMPPJJQGPE-SSDOTTSWSA-N -1 0 306.326 -0.155 20 0 DBADRM CC(C)(CNC(=O)CSc1n[nH]c(=O)[n-]1)N1CCOCC1 ZINC000287409896 535106189 /nfs/dbraw/zinc/10/61/89/535106189.db2.gz XGNFJKUSLQPESO-UHFFFAOYSA-N -1 0 315.399 -0.583 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000261700841 291015254 /nfs/dbraw/zinc/01/52/54/291015254.db2.gz ODVMMXWYYKZEEH-SECBINFHSA-N -1 0 310.372 -0.185 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000038020647 283110223 /nfs/dbraw/zinc/11/02/23/283110223.db2.gz INQJMXKVHMBREX-JTQLQIEISA-N -1 0 306.384 -0.019 20 0 DBADRM COCCN(CCOC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000284096704 138096789 /nfs/dbraw/zinc/09/67/89/138096789.db2.gz VXQCIJVXJABBFG-NSHDSACASA-N -1 0 314.342 -0.290 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000341915973 138116809 /nfs/dbraw/zinc/11/68/09/138116809.db2.gz OVDYWMJIMCHSNQ-LURJTMIESA-N -1 0 313.383 -0.553 20 0 DBADRM O=C([O-])C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000354985088 138138695 /nfs/dbraw/zinc/13/86/95/138138695.db2.gz QYDWRKMOPNMLJI-UHFFFAOYSA-N -1 0 324.717 -0.042 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)[C@@H]1COCCN1C1CCCC1 ZINC000356763175 138144587 /nfs/dbraw/zinc/14/45/87/138144587.db2.gz GYLCFYGEPOTEBT-NSHDSACASA-N -1 0 306.370 -0.052 20 0 DBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NCCC(=O)[O-])c1 ZINC000357412350 138145258 /nfs/dbraw/zinc/14/52/58/138145258.db2.gz VAPKBVLAMBOEIB-UHFFFAOYSA-N -1 0 303.340 -0.094 20 0 DBADRM CC[C@H](NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1)C(N)=O ZINC000357696361 138146091 /nfs/dbraw/zinc/14/60/91/138146091.db2.gz GXLZOBUSJGSPLP-JTQLQIEISA-N -1 0 316.335 -0.308 20 0 DBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)Cn1cnnn1 ZINC000358276408 138149214 /nfs/dbraw/zinc/14/92/14/138149214.db2.gz OIMHWUSGXWGZNQ-UHFFFAOYSA-N -1 0 302.298 -0.645 20 0 DBADRM Cc1cccn2c(=O)c(C(=O)NCc3n[nH]c(=O)[n-]3)cnc12 ZINC000358444498 138150091 /nfs/dbraw/zinc/15/00/91/138150091.db2.gz URDWHCXXHVZCLA-UHFFFAOYSA-N -1 0 300.278 -0.243 20 0 DBADRM COCCc1noc(CSc2n[n-]c3nc(=O)c(C)nn32)n1 ZINC000359318349 138150925 /nfs/dbraw/zinc/15/09/25/138150925.db2.gz MYKPFWJIIHLWOA-UHFFFAOYSA-N -1 0 323.338 -0.015 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCCS(C)(=O)=O)C1 ZINC000362325331 138152295 /nfs/dbraw/zinc/15/22/95/138152295.db2.gz RSRYRUAXNFYYLR-SNVBAGLBSA-N -1 0 313.397 -0.453 20 0 DBADRM CN1N=C(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CCC1=O ZINC000377140466 138191406 /nfs/dbraw/zinc/19/14/06/138191406.db2.gz CTIDGZINJSNIQW-UHFFFAOYSA-N -1 0 315.293 -0.085 20 0 DBADRM CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000407951701 138200424 /nfs/dbraw/zinc/20/04/24/138200424.db2.gz SMMJCFAINPVOFV-SNVBAGLBSA-N -1 0 303.384 -0.010 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)n1 ZINC000408131890 138208013 /nfs/dbraw/zinc/20/80/13/138208013.db2.gz IHYUZYQQPQJBPL-SECBINFHSA-N -1 0 302.356 -0.073 20 0 DBADRM O=C(CN1CCCCC1=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000408130834 138208369 /nfs/dbraw/zinc/20/83/69/138208369.db2.gz FLJGQGJSUMENBU-JTQLQIEISA-N -1 0 304.368 -0.376 20 0 DBADRM COC(C)(C)C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000408173442 138209423 /nfs/dbraw/zinc/20/94/23/138209423.db2.gz LBQVTKRZNKGQRB-UHFFFAOYSA-N -1 0 303.340 -0.105 20 0 DBADRM Cn1cnc2c1nccc2C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000408334336 138215008 /nfs/dbraw/zinc/21/50/08/138215008.db2.gz NRUJWHBWYAYDBH-QMMMGPOBSA-N -1 0 310.335 -0.183 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C1 ZINC000408390031 138217433 /nfs/dbraw/zinc/21/74/33/138217433.db2.gz QNPVXHHLSYBMAG-MNOVXSKESA-N -1 0 304.368 -0.520 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000408408854 138218150 /nfs/dbraw/zinc/21/81/50/138218150.db2.gz RHKYDFNZHZJCFG-KOLCDFICSA-N -1 0 316.379 -0.378 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408446434 138218957 /nfs/dbraw/zinc/21/89/57/138218957.db2.gz LLWCDVCCEUKCQA-UWVGGRQHSA-N -1 0 304.368 -0.330 20 0 DBADRM Cn1nnc2ccc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)cc21 ZINC000408449104 138219126 /nfs/dbraw/zinc/21/91/26/138219126.db2.gz DVKMPJWLCJQOMU-SECBINFHSA-N -1 0 310.335 -0.183 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000408457866 138219810 /nfs/dbraw/zinc/21/98/10/138219810.db2.gz QUYZAEKMKBXVTJ-VIFPVBQESA-N -1 0 300.340 -0.998 20 0 DBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)CCC(=O)NC1 ZINC000408479831 138220176 /nfs/dbraw/zinc/22/01/76/138220176.db2.gz NILWSNJASWTVDC-BXKDBHETSA-N -1 0 304.368 -0.472 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1cc2n(n1)CCO2 ZINC000408474544 138220206 /nfs/dbraw/zinc/22/02/06/138220206.db2.gz DJUXMXRWNMLFEY-QMMMGPOBSA-N -1 0 301.324 -0.486 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1cc2n(n1)CCCO2 ZINC000408489260 138220235 /nfs/dbraw/zinc/22/02/35/138220235.db2.gz QZVQDTVLVYYMRC-MRVPVSSYSA-N -1 0 301.324 -0.486 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)C1 ZINC000408479091 138220377 /nfs/dbraw/zinc/22/03/77/138220377.db2.gz LFUOWSAEXUKYGO-LLVKDONJSA-N -1 0 304.368 -0.520 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000408477828 138220389 /nfs/dbraw/zinc/22/03/89/138220389.db2.gz HBUDLEGMBTYRPT-VWYCJHECSA-N -1 0 318.395 -0.097 20 0 DBADRM CCc1csc(S(=O)(=O)[N-]C(=O)C2CN(C(C)=O)C2)n1 ZINC000408501994 138220458 /nfs/dbraw/zinc/22/04/58/138220458.db2.gz RZPUOOCKZDZKFM-UHFFFAOYSA-N -1 0 317.392 -0.011 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccccn1)[C@@H]1CCCCS1(=O)=O ZINC000408477837 138220475 /nfs/dbraw/zinc/22/04/75/138220475.db2.gz HCMUVQVJYZYOOS-VIFPVBQESA-N -1 0 318.376 -0.146 20 0 DBADRM Cc1nc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)sc1C ZINC000408505580 138220491 /nfs/dbraw/zinc/22/04/91/138220491.db2.gz ZSLQBGRIRXYFRZ-UHFFFAOYSA-N -1 0 319.408 -0.103 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000262673999 304068393 /nfs/dbraw/zinc/06/83/93/304068393.db2.gz XWUACYUCGGNZOZ-OAHLLOKOSA-N -1 0 317.301 -0.419 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)CCO1 ZINC000167961684 304076985 /nfs/dbraw/zinc/07/69/85/304076985.db2.gz ZKBBSIMZEOABPY-ZJUUUORDSA-N -1 0 305.352 -0.344 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCO1)C(=O)OC ZINC000344968574 291153870 /nfs/dbraw/zinc/15/38/70/291153870.db2.gz SRUFQVURYSPTHE-UWVGGRQHSA-N -1 0 323.367 -0.420 20 0 DBADRM Cc1nc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)nn1C ZINC000427641103 236911574 /nfs/dbraw/zinc/91/15/74/236911574.db2.gz DLLLTTBKRXQLES-UHFFFAOYSA-N -1 0 320.338 -0.100 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](C)OC)c1ccn(C)n1 ZINC000443216500 237317883 /nfs/dbraw/zinc/31/78/83/237317883.db2.gz UFQRRXXLOAUCFT-WPRPVWTQSA-N -1 0 305.356 -0.412 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000364410545 291224878 /nfs/dbraw/zinc/22/48/78/291224878.db2.gz IMPCTRPWIOBHMJ-DTWKUNHWSA-N -1 0 309.340 -0.699 20 0 DBADRM O=C([O-])c1csc(CNS(=O)(=O)N2CCOCC2)n1 ZINC000090932960 283559455 /nfs/dbraw/zinc/55/94/55/283559455.db2.gz TWVDGNVJRLZUDA-UHFFFAOYSA-N -1 0 307.353 -0.492 20 0 DBADRM Cn1ncc(C(=O)NCCc2nc(=O)o[n-]2)c1-n1cccc1 ZINC000447638266 238333252 /nfs/dbraw/zinc/33/32/52/238333252.db2.gz WZZGUXXYKMYKCH-UHFFFAOYSA-N -1 0 302.294 -0.140 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000450501940 238360347 /nfs/dbraw/zinc/36/03/47/238360347.db2.gz SABOGVUXLWWGAZ-LLVKDONJSA-N -1 0 300.336 -0.180 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000450496428 238360425 /nfs/dbraw/zinc/36/04/25/238360425.db2.gz YHXSRLVPDPMCBK-NSHDSACASA-N -1 0 314.363 -0.310 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000532593558 283620952 /nfs/dbraw/zinc/62/09/52/283620952.db2.gz BHKSPGMUNDPYRH-UHFFFAOYSA-N -1 0 313.354 -0.468 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)NCCCC(=O)[O-])s1 ZINC000532591132 283621022 /nfs/dbraw/zinc/62/10/22/283621022.db2.gz SATYQRXUVNEUNG-UHFFFAOYSA-N -1 0 306.365 -0.081 20 0 DBADRM Cn1[n-]nnc1=NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000532717735 283622766 /nfs/dbraw/zinc/62/27/66/283622766.db2.gz YUGSMLNSXPNNFU-SNVBAGLBSA-N -1 0 314.357 -0.602 20 0 DBADRM Cc1nc(=NC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)o[n-]1 ZINC000455100936 238413587 /nfs/dbraw/zinc/41/35/87/238413587.db2.gz ZCAGINVPQPWMET-JTQLQIEISA-N -1 0 311.342 -0.195 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C(=O)[O-])C2CC2)c1 ZINC000539607071 283678223 /nfs/dbraw/zinc/67/82/23/283678223.db2.gz WLVKZEKPKIRPCK-SNVBAGLBSA-N -1 0 315.351 -0.142 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N(CC(=O)[O-])CC(C)C ZINC000547588326 283746034 /nfs/dbraw/zinc/74/60/34/283746034.db2.gz TUCXPSZBVHWCKM-UHFFFAOYSA-N -1 0 310.372 -0.231 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000547547869 283743138 /nfs/dbraw/zinc/74/31/38/283743138.db2.gz DEGJIEJZHJCIQY-PSASIEDQSA-N -1 0 305.356 -0.110 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])cn1 ZINC000547551766 283743640 /nfs/dbraw/zinc/74/36/40/283743640.db2.gz MLTUPESBKRURIH-WPRPVWTQSA-N -1 0 303.340 -0.422 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@H](CCSC)C(=O)[O-] ZINC000547554718 283743911 /nfs/dbraw/zinc/74/39/11/283743911.db2.gz QSSUSZCFRGDZCR-JGVFFNPUSA-N -1 0 313.397 -0.079 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000547556857 283744259 /nfs/dbraw/zinc/74/42/59/283744259.db2.gz DBSCNKLXXMCYGN-BDAKNGLRSA-N -1 0 303.340 -0.422 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)[C@@H]2CCOC2)C(=O)[O-])c1 ZINC000547556720 283744561 /nfs/dbraw/zinc/74/45/61/283744561.db2.gz CFMWNJAUIPQPIX-ZJUUUORDSA-N -1 0 303.340 -0.647 20 0 DBADRM CCC(CC)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000547605463 283746498 /nfs/dbraw/zinc/74/64/98/283746498.db2.gz CMSPUIKRPICOEH-SECBINFHSA-N -1 0 313.397 -0.312 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000547608570 283747170 /nfs/dbraw/zinc/74/71/70/283747170.db2.gz DXPDSEZTTPAJHX-GZMMTYOYSA-N -1 0 317.367 -0.278 20 0 DBADRM Cn1cnc2cc(S(=O)(=O)NCCOCC(=O)[O-])ccc21 ZINC000547608022 283747223 /nfs/dbraw/zinc/74/72/23/283747223.db2.gz GIYSIJBEVVHLFD-UHFFFAOYSA-N -1 0 313.335 -0.047 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)CCC2CC2)C1 ZINC000547894737 283757784 /nfs/dbraw/zinc/75/77/84/283757784.db2.gz IARMDOHAXAZAMP-SNVBAGLBSA-N -1 0 304.368 -0.361 20 0 DBADRM COC(=O)CCCS(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC000547911587 283758356 /nfs/dbraw/zinc/75/83/56/283758356.db2.gz WESBGWWPVYMAGA-SECBINFHSA-N -1 0 311.356 -0.573 20 0 DBADRM CCCN(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000547919128 283759192 /nfs/dbraw/zinc/75/91/92/283759192.db2.gz ZBRRRDKOABNXLQ-BDAKNGLRSA-N -1 0 307.372 -0.777 20 0 DBADRM COCc1ccccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000547876944 283755636 /nfs/dbraw/zinc/75/56/36/283755636.db2.gz GUYJWHILACVRHL-KCJUWKMLSA-N -1 0 303.336 -0.055 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547879143 283755663 /nfs/dbraw/zinc/75/56/63/283755663.db2.gz GLAFSXMPQZKWHA-WPRPVWTQSA-N -1 0 303.340 -0.329 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000547878013 283755911 /nfs/dbraw/zinc/75/59/11/283755911.db2.gz WSOZDNJAFLBBFP-HLTSFMKQSA-N -1 0 309.340 -0.917 20 0 DBADRM Cn1cc([C@H](NS(=O)(=O)CC2CCOCC2)C(=O)[O-])cn1 ZINC000547878134 283755920 /nfs/dbraw/zinc/75/59/20/283755920.db2.gz XHIWCFZFQQJAFI-NSHDSACASA-N -1 0 317.367 -0.108 20 0 DBADRM CC(C)CN(C)S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000547885088 283756830 /nfs/dbraw/zinc/75/68/30/283756830.db2.gz OTZRDUKDTSPLGI-JTQLQIEISA-N -1 0 321.399 -0.658 20 0 DBADRM C[C@](CO)(CNS(=O)(=O)C[C@H]1CCCCO1)CC(=O)[O-] ZINC000548030001 283763781 /nfs/dbraw/zinc/76/37/81/283763781.db2.gz QBBXQOXSIFVULI-ZYHUDNBSSA-N -1 0 309.384 -0.052 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCOCC(=O)[O-])oc1C ZINC000547939386 283760530 /nfs/dbraw/zinc/76/05/30/283760530.db2.gz DRYDXQDCUWJODZ-UHFFFAOYSA-N -1 0 321.307 -0.246 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000548241687 283772455 /nfs/dbraw/zinc/77/24/55/283772455.db2.gz SQKXJTYZRKAAON-KXUCPTDWSA-N -1 0 310.372 -0.628 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000548248682 283772462 /nfs/dbraw/zinc/77/24/62/283772462.db2.gz SGTGGHBHXAHMRB-MRVPVSSYSA-N -1 0 301.324 -0.554 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548202351 283769670 /nfs/dbraw/zinc/76/96/70/283769670.db2.gz IPJNWYIWOINQBX-DTWKUNHWSA-N -1 0 303.340 -0.124 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC000548206178 283770086 /nfs/dbraw/zinc/77/00/86/283770086.db2.gz MKPHTZRKYNWQBP-KXUCPTDWSA-N -1 0 323.367 -0.527 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)[C@H]2CCCOC2)CCOCC1 ZINC000548215479 283770716 /nfs/dbraw/zinc/77/07/16/283770716.db2.gz CUDPVHCBSHIOST-JTQLQIEISA-N -1 0 307.368 -0.034 20 0 DBADRM CC[C@H](C)CS(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000548217145 283770732 /nfs/dbraw/zinc/77/07/32/283770732.db2.gz PUCBLAVZEVRIJQ-VHSXEESVSA-N -1 0 306.384 -0.115 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)N2CCCCC2)C1 ZINC000548222861 283771348 /nfs/dbraw/zinc/77/13/48/283771348.db2.gz JZCJGEZBFNLYTL-JTQLQIEISA-N -1 0 319.383 -0.760 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)N1CCC[C@H]1C)C(=O)[O-] ZINC000548221236 283771364 /nfs/dbraw/zinc/77/13/64/283771364.db2.gz SCEYWIQAXYQKBO-RKDXNWHRSA-N -1 0 308.356 -0.289 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1CSC[C@H]1C(=O)[O-] ZINC000548238849 283771873 /nfs/dbraw/zinc/77/18/73/283771873.db2.gz PLSZNZFHQVCAEG-ZETCQYMHSA-N -1 0 317.410 -0.790 20 0 DBADRM COC(=O)c1cc(F)cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000548260179 283773276 /nfs/dbraw/zinc/77/32/76/283773276.db2.gz QKLYDYMZULGGPB-VIFPVBQESA-N -1 0 321.282 -0.664 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000548257002 283773322 /nfs/dbraw/zinc/77/33/22/283773322.db2.gz PPGPYFJYYQODPB-LILOVNGRSA-N -1 0 321.380 -0.767 20 0 DBADRM CCOCCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)N1CCOCC1 ZINC000548565764 283784889 /nfs/dbraw/zinc/78/48/89/283784889.db2.gz QJWRKSNVKWUZPM-LLVKDONJSA-N -1 0 324.399 -0.377 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000548528352 283782648 /nfs/dbraw/zinc/78/26/48/283782648.db2.gz BISYHJABIJYYDO-WPRPVWTQSA-N -1 0 302.356 -0.136 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000548533028 283783233 /nfs/dbraw/zinc/78/32/33/283783233.db2.gz XVCCBYFRBROEGH-RITPCOANSA-N -1 0 303.283 -0.177 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@H](OC)C(=O)[O-] ZINC000548543700 283784323 /nfs/dbraw/zinc/78/43/23/283784323.db2.gz FWHNHHGIIHDJSA-KXUCPTDWSA-N -1 0 323.367 -0.263 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@H](C)CCC(=O)[O-] ZINC000548544049 283784331 /nfs/dbraw/zinc/78/43/31/283784331.db2.gz UKUMAYBAAOZVOO-SECBINFHSA-N -1 0 310.372 -0.183 20 0 DBADRM C[C@](CO)(CNS(=O)(=O)N1CCOC(C)(C)C1)CC(=O)[O-] ZINC000548683732 283788881 /nfs/dbraw/zinc/78/88/81/283788881.db2.gz GDCISAHWBTYQKT-GFCCVEGCSA-N -1 0 324.399 -0.595 20 0 DBADRM CCCCN(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000548580340 283785713 /nfs/dbraw/zinc/78/57/13/283785713.db2.gz UTPMWOJQKDUHLQ-ZJUUUORDSA-N -1 0 321.399 -0.386 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccccc1 ZINC000548584871 283785923 /nfs/dbraw/zinc/78/59/23/283785923.db2.gz QCJBREFTDVIPGR-SNVBAGLBSA-N -1 0 319.360 -0.441 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000548836264 283794574 /nfs/dbraw/zinc/79/45/74/283794574.db2.gz PBZNIOUTKQOQHO-NSHDSACASA-N -1 0 303.340 -0.014 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)C1CC1 ZINC000548867764 283795123 /nfs/dbraw/zinc/79/51/23/283795123.db2.gz VFDCIBXVKYLDGX-KWQFWETISA-N -1 0 322.383 -0.185 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000456133524 291330161 /nfs/dbraw/zinc/33/01/61/291330161.db2.gz KBZYJMQLXYYXFQ-SCZZXKLOSA-N -1 0 309.322 -0.053 20 0 DBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccsc1 ZINC000551913364 283816788 /nfs/dbraw/zinc/81/67/88/283816788.db2.gz BPXRGOFSWGGXMP-QPFGOUBPSA-N -1 0 309.390 -0.046 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCCOCC2)CCS1(=O)=O ZINC000333552559 304130592 /nfs/dbraw/zinc/13/05/92/304130592.db2.gz JRLGSCYETNLJOF-UWVGGRQHSA-N -1 0 320.367 -0.551 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000554531441 283934838 /nfs/dbraw/zinc/93/48/38/283934838.db2.gz AJSAHYDNBAQUDF-WPRPVWTQSA-N -1 0 303.340 -0.503 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000555460885 283943723 /nfs/dbraw/zinc/94/37/23/283943723.db2.gz WPKMJNAXEGBDRA-LLVKDONJSA-N -1 0 311.319 -0.404 20 0 DBADRM CN(C)c1cccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000559136974 283980914 /nfs/dbraw/zinc/98/09/14/283980914.db2.gz YNWRXNXPBKXWJM-JTQLQIEISA-N -1 0 315.351 -0.641 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000558718495 283977942 /nfs/dbraw/zinc/97/79/42/283977942.db2.gz ZEAYZLJXHPUIRC-ONGXEEELSA-N -1 0 323.367 -0.573 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000560078418 283987760 /nfs/dbraw/zinc/98/77/60/283987760.db2.gz QDGDKFRYUBLXAQ-IUCAKERBSA-N -1 0 308.356 -0.743 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)[O-] ZINC000560419735 283991989 /nfs/dbraw/zinc/99/19/89/283991989.db2.gz RYAKDJFRQZBBRN-BDAKNGLRSA-N -1 0 305.356 -0.379 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000562425316 284010253 /nfs/dbraw/zinc/01/02/53/284010253.db2.gz NYNLXQBMMJPCAU-PWSUYJOCSA-N -1 0 322.383 -0.768 20 0 DBADRM COCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000562483454 284011694 /nfs/dbraw/zinc/01/16/94/284011694.db2.gz ZLKFCASDOFSHCU-RYUDHWBXSA-N -1 0 317.363 -0.391 20 0 DBADRM CN(Cc1cnccn1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000563075596 284021439 /nfs/dbraw/zinc/02/14/39/284021439.db2.gz YLHYTKRUZNLZKM-SNVBAGLBSA-N -1 0 314.367 -0.050 20 0 DBADRM C[C@@](CO)(CNS(=O)(=O)CCOCC1CC1)CC(=O)[O-] ZINC000562999013 284019605 /nfs/dbraw/zinc/01/96/05/284019605.db2.gz FUQMNGRGCMIRLF-LBPRGKRZSA-N -1 0 309.384 -0.194 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCO[C@@H](Cn3cccn3)C2)O1 ZINC000563129026 284025019 /nfs/dbraw/zinc/02/50/19/284025019.db2.gz RQXINJCZEHGCFT-GRYCIOLGSA-N -1 0 309.322 -0.257 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCO[C@H](Cn3cccn3)C2)O1 ZINC000563129027 284025091 /nfs/dbraw/zinc/02/50/91/284025091.db2.gz RQXINJCZEHGCFT-SDDRHHMPSA-N -1 0 309.322 -0.257 20 0 DBADRM C[C@H]1CCN(c2ccc(C(=O)NCCO)nn2)C[C@H]1C(=O)[O-] ZINC000563131603 284025450 /nfs/dbraw/zinc/02/54/50/284025450.db2.gz MGXSGCDKRDKLTM-VHSXEESVSA-N -1 0 308.338 -0.254 20 0 DBADRM C[C@@H]1CCN(c2ccc(C(=O)NCCO)nn2)C[C@@H]1C(=O)[O-] ZINC000563131604 284025473 /nfs/dbraw/zinc/02/54/73/284025473.db2.gz MGXSGCDKRDKLTM-ZJUUUORDSA-N -1 0 308.338 -0.254 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)CC2(CO)CC2)C[C@@H]1C(=O)[O-] ZINC000563132828 284025486 /nfs/dbraw/zinc/02/54/86/284025486.db2.gz XZHMNMXPDGZHFL-MNOVXSKESA-N -1 0 312.366 -0.214 20 0 DBADRM O=C([O-])CN(C(=O)CNC(=O)c1cccnc1)C1CCOCC1 ZINC000563141403 284025784 /nfs/dbraw/zinc/02/57/84/284025784.db2.gz HRUXEFWYTGZBAX-UHFFFAOYSA-N -1 0 321.333 -0.096 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000563140197 284026067 /nfs/dbraw/zinc/02/60/67/284026067.db2.gz FYVHXNKKAGMJLS-LLVKDONJSA-N -1 0 313.354 -0.706 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)[C@H]1CCO[C@H]1C)C(=O)[O-] ZINC000563227760 284029674 /nfs/dbraw/zinc/02/96/74/284029674.db2.gz XAVBZINXGOBTGU-CIUDSAMLSA-N -1 0 309.340 -0.510 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)NCCC(=O)[O-])cc1 ZINC000563144073 284026426 /nfs/dbraw/zinc/02/64/26/284026426.db2.gz TZYCPNGLFJWWFV-UHFFFAOYSA-N -1 0 300.336 -0.136 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000563540546 284042752 /nfs/dbraw/zinc/04/27/52/284042752.db2.gz CANVIJXVAIYIGA-JTQLQIEISA-N -1 0 306.384 -0.115 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)CCCC(=O)OC)C(=O)[O-] ZINC000564392862 284059731 /nfs/dbraw/zinc/05/97/31/284059731.db2.gz GAHDSZIWIRZJJS-SCZZXKLOSA-N -1 0 311.356 -0.527 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000564509142 284061433 /nfs/dbraw/zinc/06/14/33/284061433.db2.gz MYBRUAWMYCNURT-ZJUUUORDSA-N -1 0 317.367 -0.127 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1=O ZINC000564779355 284066602 /nfs/dbraw/zinc/06/66/02/284066602.db2.gz RHQZVLKYZKBGIS-WCABBAIRSA-N -1 0 311.338 -0.909 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(c3nccn4cnnc34)C2)nn1 ZINC000564840411 284068976 /nfs/dbraw/zinc/06/89/76/284068976.db2.gz GZCBJALUQKFMHS-QMMMGPOBSA-N -1 0 300.282 -0.135 20 0 DBADRM CC(=O)N1CCCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1 ZINC000564924075 284071830 /nfs/dbraw/zinc/07/18/30/284071830.db2.gz URYIIKFDYCCXFR-LLVKDONJSA-N -1 0 319.383 -0.666 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000564921706 284071846 /nfs/dbraw/zinc/07/18/46/284071846.db2.gz LAVXXOUHDHRMEF-SECBINFHSA-N -1 0 315.351 -0.164 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NCCOC[C@H]1CCCO1 ZINC000564922575 284071907 /nfs/dbraw/zinc/07/19/07/284071907.db2.gz AEMWUIZVIHBRTC-GHMZBOCLSA-N -1 0 322.383 -0.435 20 0 DBADRM O=C([O-])C[C@@H]1CN(S(=O)(=O)c2cnc3n2CCC3)CCO1 ZINC000564921720 284071924 /nfs/dbraw/zinc/07/19/24/284071924.db2.gz LKWKDAKDUGZRFH-SECBINFHSA-N -1 0 315.351 -0.307 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000564925935 284072254 /nfs/dbraw/zinc/07/22/54/284072254.db2.gz WKARRFZUBNYIJI-UWVGGRQHSA-N -1 0 321.399 -0.322 20 0 DBADRM O=C([O-])[C@H](CF)NS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000564927028 284072413 /nfs/dbraw/zinc/07/24/13/284072413.db2.gz QASXBXOHLXIVJO-JTQLQIEISA-N -1 0 321.330 -0.064 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)NCCCC(=O)[O-])CC2 ZINC000564925475 284072535 /nfs/dbraw/zinc/07/25/35/284072535.db2.gz RBZGLGDNKSUXLD-VIFPVBQESA-N -1 0 311.342 -0.097 20 0 DBADRM CC(C)[C@@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)C(=O)[O-] ZINC000564967972 284075041 /nfs/dbraw/zinc/07/50/41/284075041.db2.gz SRSVGEYVJDOGST-SECBINFHSA-N -1 0 305.294 -0.333 20 0 DBADRM CO[C@@H](CNC(=O)Cn1nnnc1-c1ccsc1)C(=O)[O-] ZINC000565029557 284078580 /nfs/dbraw/zinc/07/85/80/284078580.db2.gz AHZLMKDFEXFUOY-QMMMGPOBSA-N -1 0 311.323 -0.383 20 0 DBADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCc2cc(=O)n3ccccc3n2)O1 ZINC000565041941 284079150 /nfs/dbraw/zinc/07/91/50/284079150.db2.gz JMYHPYJMEUXFPF-GHMZBOCLSA-N -1 0 317.301 -0.057 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)c1 ZINC000565277100 284091540 /nfs/dbraw/zinc/09/15/40/284091540.db2.gz TXCDWFAIMJPIQX-ZANVPECISA-N -1 0 310.331 -0.119 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@H]1CCCO1)[C@H]1CCCOC1 ZINC000565477040 284096355 /nfs/dbraw/zinc/09/63/55/284096355.db2.gz XOKMDEHUOFFCII-HBNTYKKESA-N -1 0 307.368 -0.035 20 0 DBADRM COCC(=O)N(C)CC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000565481220 284096862 /nfs/dbraw/zinc/09/68/62/284096862.db2.gz PSIBEIFNTXYNHE-UHFFFAOYSA-N -1 0 302.327 -0.817 20 0 DBADRM CCN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@H](C)CS(C)(=O)=O ZINC000353770301 284157848 /nfs/dbraw/zinc/15/78/48/284157848.db2.gz UEQBPDCYSUIPBC-SSDOTTSWSA-N -1 0 322.412 -0.116 20 0 DBADRM COC(=O)[C@@](C)(CCF)NC(=O)c1cnc([O-])n(C)c1=O ZINC000598285411 376203683 /nfs/dbraw/zinc/20/36/83/376203683.db2.gz NMKFTGAESRPAJX-GFCCVEGCSA-N -1 0 301.274 -0.493 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)C[C@@H]1CCCO1 ZINC000063155350 304171734 /nfs/dbraw/zinc/17/17/34/304171734.db2.gz HLKOZOOJMXXMLL-UWVGGRQHSA-N -1 0 303.340 -0.496 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)C[C@H]1CCCO1 ZINC000063155351 304171869 /nfs/dbraw/zinc/17/18/69/304171869.db2.gz HLKOZOOJMXXMLL-ZJUUUORDSA-N -1 0 303.340 -0.496 20 0 DBADRM Cc1cccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1 ZINC000019803181 182151862 /nfs/dbraw/zinc/15/18/62/182151862.db2.gz KCHULKDMULFOAP-SNVBAGLBSA-N -1 0 300.336 -0.008 20 0 DBADRM Cc1ccc(C)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000020301916 182204427 /nfs/dbraw/zinc/20/44/27/182204427.db2.gz YEORGRFWFWTNOC-SECBINFHSA-N -1 0 300.336 -0.090 20 0 DBADRM Cc1noc(CCNS(=O)(=O)c2n[nH]cc2C(=O)[O-])n1 ZINC000231881889 374264080 /nfs/dbraw/zinc/26/40/80/374264080.db2.gz XVKNXXJIUVJBAC-UHFFFAOYSA-N -1 0 301.284 -0.680 20 0 DBADRM Cc1c([C@H](NS(=O)(=O)C[C@H]2CCCO2)C(=O)[O-])cnn1C ZINC000530488139 374276682 /nfs/dbraw/zinc/27/66/82/374276682.db2.gz HIIKLLHZLKAJGU-KOLCDFICSA-N -1 0 317.367 -0.047 20 0 DBADRM C[S@](=O)CCCNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000232104909 374283952 /nfs/dbraw/zinc/28/39/52/374283952.db2.gz CKWVYVKPZLLMOV-LZVRBXCZSA-N -1 0 312.413 -0.614 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC(=O)N(C)C2)ccc1C(=O)[O-] ZINC000583988451 374319672 /nfs/dbraw/zinc/31/96/72/374319672.db2.gz LJZAKEPTRDBVHH-UHFFFAOYSA-N -1 0 305.290 -0.110 20 0 DBADRM COc1ccc(C)cc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000036967182 374342175 /nfs/dbraw/zinc/34/21/75/374342175.db2.gz LEYHNCATMVXLGN-MRVPVSSYSA-N -1 0 316.335 -0.389 20 0 DBADRM CC(C)[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCOCC2)C1 ZINC000232758964 374362563 /nfs/dbraw/zinc/36/25/63/374362563.db2.gz ICXWGFPRGYPAOX-LBPRGKRZSA-N -1 0 306.384 -0.004 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)NC[C@H](CC(=O)[O-])OC)CC1 ZINC000530541619 374392076 /nfs/dbraw/zinc/39/20/76/374392076.db2.gz UABHIESGQGVLFP-VIFPVBQESA-N -1 0 323.367 -0.261 20 0 DBADRM COCCn1cc(S(=O)(=O)N2CC([C@@H](C)C(=O)[O-])C2)cn1 ZINC000530525632 374378469 /nfs/dbraw/zinc/37/84/69/374378469.db2.gz JOFQESBWZKNKOF-SECBINFHSA-N -1 0 317.367 -0.129 20 0 DBADRM COCCOCCCNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000234816291 374390341 /nfs/dbraw/zinc/39/03/41/374390341.db2.gz IRDINEUBMDEXMD-NSHDSACASA-N -1 0 324.399 -0.330 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@H]2COCCO2)cc1C(=O)[O-] ZINC000038061207 374421739 /nfs/dbraw/zinc/42/17/39/374421739.db2.gz QNEWPENRNDFYSC-QMMMGPOBSA-N -1 0 304.324 -0.583 20 0 DBADRM C[C@H](CCC(=O)[O-])CNS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000123861006 374428080 /nfs/dbraw/zinc/42/80/80/374428080.db2.gz HHZDKVMPOKZPQS-MRVPVSSYSA-N -1 0 317.367 -0.097 20 0 DBADRM Cn1cc([C@H](NS(=O)(=O)N2CCCCC2)C(=O)[O-])cn1 ZINC000130830278 374429319 /nfs/dbraw/zinc/42/93/19/374429319.db2.gz PDHZSAAOMILYPS-JTQLQIEISA-N -1 0 302.356 -0.134 20 0 DBADRM COC(=O)CCCS(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000130832035 374429426 /nfs/dbraw/zinc/42/94/26/374429426.db2.gz CFBYGXBCJDDIEE-JTQLQIEISA-N -1 0 319.339 -0.582 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-])cn1C ZINC000133211433 374429969 /nfs/dbraw/zinc/42/99/69/374429969.db2.gz VNBPDAGUUGYPDV-JGVFFNPUSA-N -1 0 317.367 -0.228 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)C2(C(N)=O)CCC2)s1 ZINC000530876940 374451428 /nfs/dbraw/zinc/45/14/28/374451428.db2.gz UQWUSPPJDAQGCB-UHFFFAOYSA-N -1 0 319.368 -0.496 20 0 DBADRM CC(C)[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(N)=O ZINC000625354074 374458894 /nfs/dbraw/zinc/45/88/94/374458894.db2.gz WTMTWIQOJHEGQF-JTQLQIEISA-N -1 0 314.367 -0.307 20 0 DBADRM C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1(CO)CC1 ZINC000617912440 374561172 /nfs/dbraw/zinc/56/11/72/374561172.db2.gz MXJPKGHCRDAPLK-QMMMGPOBSA-N -1 0 314.363 -0.070 20 0 DBADRM CCOC(=O)CCNC(=O)c1ccc(S(=O)(=O)NC)o1 ZINC000049277750 374576536 /nfs/dbraw/zinc/57/65/36/374576536.db2.gz JQZGXMHUYBASMN-UHFFFAOYSA-N -1 0 304.324 -0.129 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CC(=O)N1 ZINC000584107408 374579398 /nfs/dbraw/zinc/57/93/98/374579398.db2.gz XKKNJDNLCMKKHP-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-] ZINC000158595448 374579563 /nfs/dbraw/zinc/57/95/63/374579563.db2.gz BWHWFXUQQMCHFH-JTQLQIEISA-N -1 0 301.320 -0.001 20 0 DBADRM C[C@@H]1CN(C(=O)N2CCS(=O)(=O)CC2)CC[C@@H]1C(=O)[O-] ZINC000312754743 374567627 /nfs/dbraw/zinc/56/76/27/374567627.db2.gz ZRDDETLGTWZMSA-ZJUUUORDSA-N -1 0 304.368 -0.121 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)C[C@@H]1C(=O)[O-] ZINC000634698190 374592643 /nfs/dbraw/zinc/59/26/43/374592643.db2.gz CMJHAGYZIQUVGO-WYUUTHIRSA-N -1 0 310.350 -0.340 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)CC[C@@H]1C(=O)[O-] ZINC000634698600 374592650 /nfs/dbraw/zinc/59/26/50/374592650.db2.gz RKFJBUIPPHJWRV-WYUUTHIRSA-N -1 0 310.350 -0.340 20 0 DBADRM C[C@@H]1CCCCN1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000089696218 374636869 /nfs/dbraw/zinc/63/68/69/374636869.db2.gz XDMCRCTURPZEKV-SECBINFHSA-N -1 0 317.371 -0.315 20 0 DBADRM C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)NCCCC(=O)[O-] ZINC000569123731 374638663 /nfs/dbraw/zinc/63/86/63/374638663.db2.gz WDVKDYJAIDLHKE-UWVGGRQHSA-N -1 0 302.327 -0.722 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCNS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000584111198 374611512 /nfs/dbraw/zinc/61/15/12/374611512.db2.gz QOIMXDDMATUXCF-BDAKNGLRSA-N -1 0 307.372 -0.712 20 0 DBADRM CCO[C@@H]1C[C@H](NS(=O)(=O)[C@H]2CC(=O)N(CC)C2)[C@H]1OC ZINC000632212091 374616143 /nfs/dbraw/zinc/61/61/43/374616143.db2.gz FZSRIXPUXAGLSG-MEWQQHAOSA-N -1 0 320.411 -0.281 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCS(=O)(=O)N(C)C)C1 ZINC000263361587 374621060 /nfs/dbraw/zinc/62/10/60/374621060.db2.gz SCBZFMIVSLKXLH-ZJUUUORDSA-N -1 0 321.399 -0.370 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCOC1 ZINC000262057348 374680862 /nfs/dbraw/zinc/68/08/62/374680862.db2.gz DOYYUWJVRUPWMR-IAQYHMDHSA-N -1 0 310.350 -0.005 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC(=O)[O-] ZINC000262664164 374736671 /nfs/dbraw/zinc/73/66/71/374736671.db2.gz VFZBINTYHWNCFU-LURJTMIESA-N -1 0 305.312 -0.841 20 0 DBADRM COC(=O)c1sccc1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000090262916 374795438 /nfs/dbraw/zinc/79/54/38/374795438.db2.gz HHCSXLXHQVLQKC-YFKPBYRVSA-N -1 0 309.321 -0.742 20 0 DBADRM CC1(C)CN(S(=O)(=O)[N-]CC(F)(F)F)C[C@@H](CO)O1 ZINC000127312831 374766759 /nfs/dbraw/zinc/76/67/59/374766759.db2.gz SIWQUINXCQSSQN-ZETCQYMHSA-N -1 0 306.306 -0.145 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000588896362 374771138 /nfs/dbraw/zinc/77/11/38/374771138.db2.gz UMXKDNGKINWAGS-QMMMGPOBSA-N -1 0 311.356 -0.971 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)c1 ZINC000130826543 374775948 /nfs/dbraw/zinc/77/59/48/374775948.db2.gz CDXVMAVMZALUJQ-JTQLQIEISA-N -1 0 313.339 -0.259 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1nnn[n-]1 ZINC000600493406 374781592 /nfs/dbraw/zinc/78/15/92/374781592.db2.gz ALQJDKAGRSEXNL-GFCCVEGCSA-N -1 0 300.322 -0.211 20 0 DBADRM O=C(CCn1cnc2sccc2c1=O)NCc1nnn[n-]1 ZINC000600493477 374782032 /nfs/dbraw/zinc/78/20/32/374782032.db2.gz AYQLOOPUIVDRBR-UHFFFAOYSA-N -1 0 305.323 -0.322 20 0 DBADRM C[C@@H](C(=O)NCc1nnn[n-]1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000600497731 374785917 /nfs/dbraw/zinc/78/59/17/374785917.db2.gz QRWUSNPBKKFUKU-XHNCKOQMSA-N -1 0 306.326 -0.620 20 0 DBADRM Cc1ccc(CCC(=O)NCC(=O)NCc2nnn[n-]2)cc1 ZINC000600497211 374786385 /nfs/dbraw/zinc/78/63/85/374786385.db2.gz ZFPUSFBJAUOYNE-UHFFFAOYSA-N -1 0 302.338 -0.127 20 0 DBADRM CC1CCC(NS(=O)(=O)CC(=O)NCc2nnn[n-]2)CC1 ZINC000600498818 374787574 /nfs/dbraw/zinc/78/75/74/374787574.db2.gz YKSJJGOTQPWTIM-UHFFFAOYSA-N -1 0 316.387 -0.686 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCC(=O)NCc2nnn[n-]2)cc1 ZINC000600504392 374790100 /nfs/dbraw/zinc/79/01/00/374790100.db2.gz IULVPAGMSMGCPX-UHFFFAOYSA-N -1 0 324.366 -0.507 20 0 DBADRM O=C([O-])CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000427297579 374864745 /nfs/dbraw/zinc/86/47/45/374864745.db2.gz UYOKFXSQESIZGV-UHFFFAOYSA-N -1 0 317.301 -0.741 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)NC2(C(=O)[O-])CCC2)CC1 ZINC000400185927 374888763 /nfs/dbraw/zinc/88/87/63/374888763.db2.gz JOLKOCYPYGCHHS-UHFFFAOYSA-N -1 0 319.383 -0.283 20 0 DBADRM CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2cnnn2C)n1 ZINC000600660354 374836923 /nfs/dbraw/zinc/83/69/23/374836923.db2.gz SKZIVEUKZRFIQN-UHFFFAOYSA-N -1 0 314.327 -0.625 20 0 DBADRM CCO[C@H](CS(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])C1CC1 ZINC000600652456 374838370 /nfs/dbraw/zinc/83/83/70/374838370.db2.gz UPDHHHKGZIIJIT-VHSXEESVSA-N -1 0 323.367 -0.263 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CCC[C@]1(C)C(=O)[O-] ZINC000600700347 374842821 /nfs/dbraw/zinc/84/28/21/374842821.db2.gz CDFXESMEYMHZHR-NOZJJQNGSA-N -1 0 301.343 -0.214 20 0 DBADRM Cc1nc(=NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)s[n-]1 ZINC000625887792 374923294 /nfs/dbraw/zinc/92/32/94/374923294.db2.gz YTWJBOSNZGLFJB-QMMMGPOBSA-N -1 0 306.351 -0.006 20 0 DBADRM COCCOCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000044414715 374930275 /nfs/dbraw/zinc/93/02/75/374930275.db2.gz DOFKAPWIJHHIGC-UHFFFAOYSA-N -1 0 306.340 -0.335 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c(OC)c1 ZINC000625949036 374940518 /nfs/dbraw/zinc/94/05/18/374940518.db2.gz LMBUPPREPRVYGT-SSDOTTSWSA-N -1 0 323.305 -0.417 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2OCC3)CCO1 ZINC000625949426 374943349 /nfs/dbraw/zinc/94/33/49/374943349.db2.gz ICMKNUYBQIKVOB-NSHDSACASA-N -1 0 320.301 -0.128 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)ncn1 ZINC000625955317 374947575 /nfs/dbraw/zinc/94/75/75/374947575.db2.gz XWXHTNDTYIWWPS-BDAKNGLRSA-N -1 0 322.321 -0.007 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000625953676 374947726 /nfs/dbraw/zinc/94/77/26/374947726.db2.gz MIEIVJMEKYFXQD-LJGSYFOKSA-N -1 0 306.278 -0.902 20 0 DBADRM C[C@@](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)(C(=O)[O-])C1CC1 ZINC000400288375 374904171 /nfs/dbraw/zinc/90/41/71/374904171.db2.gz KKGCJQUIKWGTNE-CABZTGNLSA-N -1 0 319.383 -0.427 20 0 DBADRM CS(=O)(=O)[N-]C(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000408486441 375016495 /nfs/dbraw/zinc/01/64/95/375016495.db2.gz JEXWCUPVRBZCOB-MNOVXSKESA-N -1 0 316.379 -0.497 20 0 DBADRM O=C(c1s[n-]c(=O)c1Cl)N(CCO)CCOCCO ZINC000628175301 375034091 /nfs/dbraw/zinc/03/40/91/375034091.db2.gz RMRPFQUVHRKFMP-UHFFFAOYSA-N -1 0 310.759 -0.055 20 0 DBADRM C[C@@H](NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)C(=O)[O-] ZINC000262706617 375079488 /nfs/dbraw/zinc/07/94/88/375079488.db2.gz NCMVJFOJIPEEHC-SSDOTTSWSA-N -1 0 311.319 -0.059 20 0 DBADRM Cn1c(=O)oc2ccc(CN3CCN(C(=O)C(=O)[O-])CC3)cc21 ZINC000635018641 375083183 /nfs/dbraw/zinc/08/31/83/375083183.db2.gz PGMMTVWBRLHNDR-UHFFFAOYSA-N -1 0 319.317 -0.140 20 0 DBADRM O=C(C1CN(CC(F)F)C1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000622566896 375083797 /nfs/dbraw/zinc/08/37/97/375083797.db2.gz BDRHPAWOBUAIPE-CYBMUJFWSA-N -1 0 316.308 -0.616 20 0 DBADRM CC[C@H](C)C[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)[O-] ZINC000400596051 375091485 /nfs/dbraw/zinc/09/14/85/375091485.db2.gz BDYRSADDEMOYSN-VHSXEESVSA-N -1 0 311.338 -0.447 20 0 DBADRM COC[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1 ZINC000122525293 375050657 /nfs/dbraw/zinc/05/06/57/375050657.db2.gz UACLNRRPCJBIPJ-JTQLQIEISA-N -1 0 304.306 -0.234 20 0 DBADRM NS(=O)(=O)c1ccc(NCCOCCO)c(C(=O)[O-])c1 ZINC000052926057 375054748 /nfs/dbraw/zinc/05/47/48/375054748.db2.gz NFQWZCKUSDWWEL-UHFFFAOYSA-N -1 0 304.324 -0.547 20 0 DBADRM CN(CCC(=O)[O-])C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000262772904 375058692 /nfs/dbraw/zinc/05/86/92/375058692.db2.gz VCUAUZYXXQFYCL-UHFFFAOYSA-N -1 0 315.351 -0.317 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)[C@H]2CCC[C@H]2C(=O)[O-])CC1 ZINC000634856860 375060649 /nfs/dbraw/zinc/06/06/49/375060649.db2.gz CBRBZRSFYDUZAL-WDEREUQCSA-N -1 0 318.395 -0.019 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000634856858 375061479 /nfs/dbraw/zinc/06/14/79/375061479.db2.gz CBRBZRSFYDUZAL-MNOVXSKESA-N -1 0 318.395 -0.019 20 0 DBADRM C[C@@H](O[C@H](C)C(=O)N1CC(OCC(=O)N(C)C)C1)C(=O)[O-] ZINC000634893151 375069571 /nfs/dbraw/zinc/06/95/71/375069571.db2.gz GRHWKSJJVBKYPG-RKDXNWHRSA-N -1 0 302.327 -0.820 20 0 DBADRM COCCOC1CCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC000635523396 375137065 /nfs/dbraw/zinc/13/70/65/375137065.db2.gz MWFWSRFRWGHREB-UHFFFAOYSA-N -1 0 304.343 -0.075 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCCN(C)C2=O)C1 ZINC000635511527 375137180 /nfs/dbraw/zinc/13/71/80/375137180.db2.gz QYCVVVKBRJVQBH-IINYFYTJSA-N -1 0 313.354 -0.260 20 0 DBADRM CCN1CC[C@H](NC(=O)N2CC[C@](COC)(C(=O)[O-])C2)C1=O ZINC000635514936 375137558 /nfs/dbraw/zinc/13/75/58/375137558.db2.gz QKHIRLBDJAVDQU-HZMBPMFUSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000635522198 375138377 /nfs/dbraw/zinc/13/83/77/375138377.db2.gz VFAXMKCSSBJFHT-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000635524006 375138507 /nfs/dbraw/zinc/13/85/07/375138507.db2.gz UZGZXEUKKRHMGM-NSHDSACASA-N -1 0 313.354 -0.259 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000635524734 375139817 /nfs/dbraw/zinc/13/98/17/375139817.db2.gz PQRRPFAMSIAJIU-UHFFFAOYSA-N -1 0 313.232 -0.539 20 0 DBADRM COCCOC[C@@H]1CCN(C(=O)NCCOCC(=O)[O-])C1 ZINC000635522461 375139867 /nfs/dbraw/zinc/13/98/67/375139867.db2.gz CUFNJXVHGYDRTN-LLVKDONJSA-N -1 0 304.343 -0.218 20 0 DBADRM CC[C@H]1C(=O)N(CC)CCN1C(=O)NCCOCC(=O)[O-] ZINC000635524849 375140205 /nfs/dbraw/zinc/14/02/05/375140205.db2.gz RDKRYVICBCCEIA-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000635524189 375140476 /nfs/dbraw/zinc/14/04/76/375140476.db2.gz WBFZLSXORNOYBV-QWRGUYRKSA-N -1 0 302.327 -0.323 20 0 DBADRM CCn1cnc(S(=O)(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000080715704 375147219 /nfs/dbraw/zinc/14/72/19/375147219.db2.gz QZJPJWVRPUUSRO-LLVKDONJSA-N -1 0 302.400 -0.098 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)NCCCCC(=O)[O-] ZINC000635530211 375149734 /nfs/dbraw/zinc/14/97/34/375149734.db2.gz SZILOSYZIAAAEF-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM COC[C@](C)(NC(=O)Cn1nc2ccccn2c1=O)C(=O)[O-] ZINC000262303524 375164475 /nfs/dbraw/zinc/16/44/75/375164475.db2.gz XWBGAOGFSFUNHW-ZDUSSCGKSA-N -1 0 308.294 -0.898 20 0 DBADRM C[C@H](C(=O)NC1CCCC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000091556001 375172231 /nfs/dbraw/zinc/17/22/31/375172231.db2.gz WCHYBVHOKPJGOA-LLVKDONJSA-N -1 0 322.413 -0.337 20 0 DBADRM CCCS(=O)(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000091539299 375173507 /nfs/dbraw/zinc/17/35/07/375173507.db2.gz VSYBFLNFPSCRRY-UHFFFAOYSA-N -1 0 303.388 -0.608 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000585742784 375245169 /nfs/dbraw/zinc/24/51/69/375245169.db2.gz KXTJTXWBDNDTFG-IUCAKERBSA-N -1 0 308.356 -0.336 20 0 DBADRM CCCN(CCC)S(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-] ZINC000214211123 375196472 /nfs/dbraw/zinc/19/64/72/375196472.db2.gz KNJVUMBFRTXNBV-SECBINFHSA-N -1 0 310.372 -0.041 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000216275998 375196942 /nfs/dbraw/zinc/19/69/42/375196942.db2.gz UMODRERYRCNHEM-MRVPVSSYSA-N -1 0 319.339 -0.668 20 0 DBADRM COC[C@@H](CCO)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000626149442 375199711 /nfs/dbraw/zinc/19/97/11/375199711.db2.gz QLXZPVXJIPEANF-SNVBAGLBSA-N -1 0 317.367 -0.420 20 0 DBADRM C[C@@H](NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC000262823415 375200836 /nfs/dbraw/zinc/20/08/36/375200836.db2.gz WGRLEVMOKQVQOC-UOWDBTKRSA-N -1 0 305.290 -0.056 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)NC1(C(=O)[O-])CCCC1 ZINC000262581464 375206369 /nfs/dbraw/zinc/20/63/69/375206369.db2.gz QXNGUTHHBMTUFU-UHFFFAOYSA-N -1 0 304.368 -0.074 20 0 DBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])cc1 ZINC000279349008 375313596 /nfs/dbraw/zinc/31/35/96/375313596.db2.gz VJRBSGNCINCYNQ-JTQLQIEISA-N -1 0 319.360 -0.062 20 0 DBADRM Cn1ccc(N2CCC[C@H](NC(=O)C3(C(=O)[O-])CC3)C2=O)n1 ZINC000572725936 375258618 /nfs/dbraw/zinc/25/86/18/375258618.db2.gz BBEYFGULCJLXSS-VIFPVBQESA-N -1 0 306.322 -0.104 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000570838901 375396652 /nfs/dbraw/zinc/39/66/52/375396652.db2.gz FERGJAZUEOKTDK-DTWKUNHWSA-N -1 0 313.397 -0.406 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000262845237 375328971 /nfs/dbraw/zinc/32/89/71/375328971.db2.gz DULHTKUXKGSDBJ-ZETCQYMHSA-N -1 0 320.305 -0.823 20 0 DBADRM CC(C)c1nc(S(=O)(=O)NCC2(CO)COC2)cn1C ZINC000570529326 375368629 /nfs/dbraw/zinc/36/86/29/375368629.db2.gz NHELIGDNQBDVHZ-UHFFFAOYSA-N -1 0 303.384 -0.169 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000570632392 375378008 /nfs/dbraw/zinc/37/80/08/375378008.db2.gz MLUROYZJSIVYPG-WYUUTHIRSA-N -1 0 312.366 -0.215 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)c1cccc2nsnc21 ZINC000281864009 375380673 /nfs/dbraw/zinc/38/06/73/375380673.db2.gz MYUWIIFDHLBVCC-UHFFFAOYSA-N -1 0 317.348 -0.241 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000052785820 375383778 /nfs/dbraw/zinc/38/37/78/375383778.db2.gz SWVHHLNEUBBIIZ-SNVBAGLBSA-N -1 0 316.335 -0.447 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@@H](CCO)C(=O)[O-])CCC1 ZINC000589680982 375459224 /nfs/dbraw/zinc/45/92/24/375459224.db2.gz FKINLYBIPXERIC-QMMMGPOBSA-N -1 0 309.340 -0.915 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)CCC1 ZINC000589682999 375462132 /nfs/dbraw/zinc/46/21/32/375462132.db2.gz XWGNIIBLFPBEHY-LBPRGKRZSA-N -1 0 321.351 -0.507 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@H](CO)C(=O)[O-])CCCCC1 ZINC000589973671 375466641 /nfs/dbraw/zinc/46/66/41/375466641.db2.gz QMNWYSREASADQT-SECBINFHSA-N -1 0 323.367 -0.525 20 0 DBADRM O=C([O-])C1(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000570931291 375402094 /nfs/dbraw/zinc/40/20/94/375402094.db2.gz KIMTURTXKJXFIJ-UHFFFAOYSA-N -1 0 322.321 -0.455 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)C2=O)cn1 ZINC000574916448 375403614 /nfs/dbraw/zinc/40/36/14/375403614.db2.gz QHCOPAWESOIWNI-GARJFASQSA-N -1 0 320.349 -0.002 20 0 DBADRM C[C@H]1C(=O)Nc2ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc21 ZINC000103512006 375436786 /nfs/dbraw/zinc/43/67/86/375436786.db2.gz CBVJPRFZGGJZHP-LDWIPMOCSA-N -1 0 314.319 -0.534 20 0 DBADRM COc1ncnc(OC)c1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262742003 375445874 /nfs/dbraw/zinc/44/58/74/375445874.db2.gz GXSPZMNLQMBBFM-MRVPVSSYSA-N -1 0 311.294 -0.191 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CC2)o1 ZINC000203657563 375446572 /nfs/dbraw/zinc/44/65/72/375446572.db2.gz ZVTGPJDHDBADEX-UHFFFAOYSA-N -1 0 302.308 -0.123 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000580196521 375447973 /nfs/dbraw/zinc/44/79/73/375447973.db2.gz PTAAMFBKLXIWHI-VHSXEESVSA-N -1 0 314.338 -0.375 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000368524217 375540441 /nfs/dbraw/zinc/54/04/41/375540441.db2.gz AMAWNEMXZLZCLI-MMWGEVLESA-N -1 0 322.383 -0.486 20 0 DBADRM CC(C)(CO)NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000177016082 375504583 /nfs/dbraw/zinc/50/45/83/375504583.db2.gz MWWPSDWPJBFCQH-UHFFFAOYSA-N -1 0 305.334 -0.033 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)CC2([NH+](C)C)CC2)CCOC1 ZINC000601368895 375591479 /nfs/dbraw/zinc/59/14/79/375591479.db2.gz GKZXOFSLTULREE-LBPRGKRZSA-N -1 0 306.384 -0.668 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2cccc(F)c2)CCO1 ZINC000643152582 375622677 /nfs/dbraw/zinc/62/26/77/375622677.db2.gz LASADSHVNWTLJM-GFCCVEGCSA-N -1 0 324.308 -0.204 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2cccc(F)c2)CCO1 ZINC000643153312 375624605 /nfs/dbraw/zinc/62/46/05/375624605.db2.gz DCYLZGBSXPIVDB-NSHDSACASA-N -1 0 310.281 -0.246 20 0 DBADRM COC(=O)[C@H]1CSCCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC000601442313 375612400 /nfs/dbraw/zinc/61/24/00/375612400.db2.gz YQJOPXFMRIMFQS-MRVPVSSYSA-N -1 0 305.381 -0.064 20 0 DBADRM O=S(=O)(C[C@@H](O)CO)c1nc(-c2ccccc2F)n[n-]1 ZINC000195130150 375647516 /nfs/dbraw/zinc/64/75/16/375647516.db2.gz BZKVSKZAHUOEOP-ZETCQYMHSA-N -1 0 301.299 -0.262 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCCS1 ZINC000643166460 375655269 /nfs/dbraw/zinc/65/52/69/375655269.db2.gz SLSBGNODZHVANF-ZANVPECISA-N -1 0 316.379 -0.300 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCS1 ZINC000643166458 375655537 /nfs/dbraw/zinc/65/55/37/375655537.db2.gz SLSBGNODZHVANF-RNCFNFMXSA-N -1 0 316.379 -0.300 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC23CCC(CC2)C3)CCO1 ZINC000643166098 375655566 /nfs/dbraw/zinc/65/55/66/375655566.db2.gz UCDYGCNGFPQKGJ-LOIXOFCESA-N -1 0 310.350 -0.005 20 0 DBADRM Cc1cccc(CCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000643157120 375637941 /nfs/dbraw/zinc/63/79/41/375637941.db2.gz MBIBBRJHPWPVJE-ZDUSSCGKSA-N -1 0 320.345 -0.034 20 0 DBADRM COc1ccc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])cc1C(N)=O ZINC000054053866 375639684 /nfs/dbraw/zinc/63/96/84/375639684.db2.gz QRDOAGDCDWQUJT-ZETCQYMHSA-N -1 0 316.335 -0.112 20 0 DBADRM O=C([O-])[C@@H]1COCCN1CC(=O)NC(=O)NCc1ccccc1 ZINC000590643354 375670167 /nfs/dbraw/zinc/67/01/67/375670167.db2.gz FCHUPCGSAFHZSG-LBPRGKRZSA-N -1 0 321.333 -0.202 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000591350203 375711875 /nfs/dbraw/zinc/71/18/75/375711875.db2.gz CYKWUPZQCHDATO-VIFPVBQESA-N -1 0 321.351 -0.413 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N2C[C@H](O)C[C@H](O)C2)c1 ZINC000591770091 375745348 /nfs/dbraw/zinc/74/53/48/375745348.db2.gz DWGHEPDHDSXEHJ-NNUHMIRASA-N -1 0 313.375 -0.243 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N2C[C@H](O)C[C@H]2CO)c1 ZINC000591779235 375746264 /nfs/dbraw/zinc/74/62/64/375746264.db2.gz SKLQOMOTWSRTPC-FLCAKIMKSA-N -1 0 313.375 -0.243 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000592372421 375796827 /nfs/dbraw/zinc/79/68/27/375796827.db2.gz WZNIHPCLSUTGKR-FKTZTGRPSA-N -1 0 300.311 -0.767 20 0 DBADRM CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)CSCC(=O)[O-])C1 ZINC000592363548 375800249 /nfs/dbraw/zinc/80/02/49/375800249.db2.gz RMNYHANVCSNCKQ-VIFPVBQESA-N -1 0 324.424 -0.267 20 0 DBADRM COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000592993030 375842026 /nfs/dbraw/zinc/84/20/26/375842026.db2.gz FSXWLHFLAASHJF-WDEREUQCSA-N -1 0 308.290 -0.082 20 0 DBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)CCC(F)(F)F ZINC000593269877 375853843 /nfs/dbraw/zinc/85/38/43/375853843.db2.gz CEXQLLDFJKQBRR-FWCARGHBSA-N -1 0 323.314 -0.214 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000593272213 375854016 /nfs/dbraw/zinc/85/40/16/375854016.db2.gz GTGRJRCHIYRICR-SNVBAGLBSA-N -1 0 322.383 -0.183 20 0 DBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)CCC(F)(F)F ZINC000593269875 375854074 /nfs/dbraw/zinc/85/40/74/375854074.db2.gz CEXQLLDFJKQBRR-DMWPKQFHSA-N -1 0 323.314 -0.214 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)[C@@H]1CCO[C@H](C)C1)C(=O)[O-] ZINC000593255977 375854245 /nfs/dbraw/zinc/85/42/45/375854245.db2.gz AVTQUWTUCICUIG-OPRDCNLKSA-N -1 0 323.367 -0.120 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)CC1(COC)CCC1 ZINC000593573700 375872618 /nfs/dbraw/zinc/87/26/18/375872618.db2.gz DZJWLPKVZUSHHS-JTQLQIEISA-N -1 0 309.384 -0.354 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)CNS(=O)(=O)CC)[n-]1 ZINC000593900337 375899251 /nfs/dbraw/zinc/89/92/51/375899251.db2.gz CAWNJNIFFIHKBE-UHFFFAOYSA-N -1 0 304.328 -0.536 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)c2ccccc2[O-])C1 ZINC000594797049 375953197 /nfs/dbraw/zinc/95/31/97/375953197.db2.gz RVNKYNKJXUBACF-UWVGGRQHSA-N -1 0 315.347 -0.063 20 0 DBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000594779720 375956660 /nfs/dbraw/zinc/95/66/60/375956660.db2.gz RBNZAUOGFRXQMN-LPEHRKFASA-N -1 0 313.347 -0.532 20 0 DBADRM CC(C)(C)OC(=O)[C@]1([N-]S(=O)(=O)C2COC2)CCOC1 ZINC000594842003 375957416 /nfs/dbraw/zinc/95/74/16/375957416.db2.gz JBQRNSYVTHPZFV-LBPRGKRZSA-N -1 0 307.368 -0.195 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)CCCCC(=O)[O-] ZINC000594461783 375932868 /nfs/dbraw/zinc/93/28/68/375932868.db2.gz GHLPZZPUAMKKMZ-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000594544919 375934689 /nfs/dbraw/zinc/93/46/89/375934689.db2.gz OUWCHMWLASBQJF-OTYXRUKQSA-N -1 0 314.338 -0.375 20 0 DBADRM CCOC(=O)CC[C@H](C)NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000594529121 375935838 /nfs/dbraw/zinc/93/58/38/375935838.db2.gz GBLMYDVATFLVCT-IUCAKERBSA-N -1 0 302.327 -0.329 20 0 DBADRM COC(=O)C1CCC(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000594528768 375936158 /nfs/dbraw/zinc/93/61/58/375936158.db2.gz CZODUCYCZMSSAR-XNWIYYODSA-N -1 0 314.338 -0.329 20 0 DBADRM CCOC(=O)C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000594530822 375936346 /nfs/dbraw/zinc/93/63/46/375936346.db2.gz VBJHSFSJCJKGKM-RKDXNWHRSA-N -1 0 302.327 -0.471 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])cn1 ZINC000594573643 375937943 /nfs/dbraw/zinc/93/79/43/375937943.db2.gz PZULAVABXNHYTQ-MRVPVSSYSA-N -1 0 323.302 -0.853 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])oc1C ZINC000594673217 375939594 /nfs/dbraw/zinc/93/95/94/375939594.db2.gz FSNLDUBGJYRNOQ-SSDOTTSWSA-N -1 0 307.280 -0.902 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000594682964 375940916 /nfs/dbraw/zinc/94/09/16/375940916.db2.gz IDVGBCPQBYATPB-YGOYTEALSA-N -1 0 321.351 -0.842 20 0 DBADRM CCOC(=O)CCCNC(=O)CN(C)Cc1n[n-]c(=O)o1 ZINC000595552507 376016362 /nfs/dbraw/zinc/01/63/62/376016362.db2.gz XNITYGOSZWSKNC-UHFFFAOYSA-N -1 0 300.315 -0.334 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN(C)Cc1n[n-]c(=O)o1)C(=O)OC ZINC000595552426 376016444 /nfs/dbraw/zinc/01/64/44/376016444.db2.gz UXGXZAOZSOSFHC-LDYMZIIASA-N -1 0 314.342 -0.089 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595260779 375982860 /nfs/dbraw/zinc/98/28/60/375982860.db2.gz KUGAMNDNYOCYND-REXRXJIHSA-N -1 0 304.368 -0.504 20 0 DBADRM C[C@@H]1CN(C(=O)CSCC(=O)[O-])CCN1S(C)(=O)=O ZINC000595245880 375987192 /nfs/dbraw/zinc/98/71/92/375987192.db2.gz SLZKZZQYHQFFHM-MRVPVSSYSA-N -1 0 310.397 -0.704 20 0 DBADRM COC(=O)C[C@@H](CNC(=O)C(=O)NCCC(=O)[O-])C1CC1 ZINC000595275510 375988556 /nfs/dbraw/zinc/98/85/56/375988556.db2.gz GCEWJCUSASZPRU-VIFPVBQESA-N -1 0 300.311 -0.717 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NCCC(=O)[O-])C[C@@H]1C ZINC000595276409 375989137 /nfs/dbraw/zinc/98/91/37/375989137.db2.gz PJNCVHYDIYTKEW-DTWKUNHWSA-N -1 0 300.311 -0.765 20 0 DBADRM COC(=O)C[C@H](CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])C1CC1 ZINC000595276974 375990384 /nfs/dbraw/zinc/99/03/84/375990384.db2.gz ZRPNNOCOHLQUMC-WCBMZHEXSA-N -1 0 314.338 -0.471 20 0 DBADRM C[S@@](=O)C1(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000595276670 375991147 /nfs/dbraw/zinc/99/11/47/375991147.db2.gz TYSMBTCLEIMGKI-OAQYLSRUSA-N -1 0 316.379 -0.615 20 0 DBADRM COC(=O)COCCNC(=O)N=c1nc(SC)[n-]s1 ZINC000596787820 376099176 /nfs/dbraw/zinc/09/91/76/376099176.db2.gz AAONCFQZFIRATG-UHFFFAOYSA-N -1 0 306.369 -0.007 20 0 DBADRM COC(=O)C(C)(C)n1ccc(=NC(=O)N=c2nc(C)n(C)[n-]2)[nH]1 ZINC000596920714 376104453 /nfs/dbraw/zinc/10/44/53/376104453.db2.gz PXBJHFLBDZAYGR-UHFFFAOYSA-N -1 0 321.341 -0.284 20 0 DBADRM COC(=O)[C@H]1C[C@@H](N(C)C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC000595992891 376064659 /nfs/dbraw/zinc/06/46/59/376064659.db2.gz VRDPIYZPYSVJTP-LPEHRKFASA-N -1 0 314.338 -0.425 20 0 DBADRM COC(=O)[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000595990741 376065245 /nfs/dbraw/zinc/06/52/45/376065245.db2.gz QOJDXRXPRDJOGB-LPEHRKFASA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)c1oc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cc1C ZINC000596035620 376065887 /nfs/dbraw/zinc/06/58/87/376065887.db2.gz PZZMSZRGLKWHFB-POYBYMJQSA-N -1 0 321.307 -0.513 20 0 DBADRM COC(=O)c1oc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1C ZINC000596031313 376066405 /nfs/dbraw/zinc/06/64/05/376066405.db2.gz CWXQOBUTKIGEMF-ZCFIWIBFSA-N -1 0 307.280 -0.902 20 0 DBADRM COC(=O)c1oc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1C ZINC000596031312 376066542 /nfs/dbraw/zinc/06/65/42/376066542.db2.gz CWXQOBUTKIGEMF-LURJTMIESA-N -1 0 307.280 -0.902 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@@H]2C[C@@]1(C(=O)[O-])[C@@H]2C ZINC000596041099 376067100 /nfs/dbraw/zinc/06/71/00/376067100.db2.gz WEVBXDSQLIKBOJ-PTRXPTGYSA-N -1 0 320.367 -0.479 20 0 DBADRM CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(=O)OC ZINC000597364639 376128068 /nfs/dbraw/zinc/12/80/68/376128068.db2.gz TYRAXIPOBQOTKX-VIFPVBQESA-N -1 0 316.335 -0.279 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000597807262 376180387 /nfs/dbraw/zinc/18/03/87/376180387.db2.gz HJUHGGAAWSPNDN-YUMQZZPRSA-N -1 0 321.289 -0.076 20 0 DBADRM CCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2nnn[n-]2)c1 ZINC000599344410 376279095 /nfs/dbraw/zinc/27/90/95/376279095.db2.gz IYQJZTDJAYSKRY-UHFFFAOYSA-N -1 0 324.366 -0.264 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000054334104 376213217 /nfs/dbraw/zinc/21/32/17/376213217.db2.gz MZZHZJDOWHCCPE-MRVPVSSYSA-N -1 0 308.356 -0.574 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000055311722 376240941 /nfs/dbraw/zinc/24/09/41/376240941.db2.gz WXEZKBKSKGZZEB-UHFFFAOYSA-N -1 0 323.348 -0.295 20 0 DBADRM CCCNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599204208 376255236 /nfs/dbraw/zinc/25/52/36/376255236.db2.gz BJFZAYOZZWYLLS-UHFFFAOYSA-N -1 0 305.312 -0.734 20 0 DBADRM CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599320778 376281707 /nfs/dbraw/zinc/28/17/07/376281707.db2.gz GBRFLBDVFQQVLC-ZCFIWIBFSA-N -1 0 305.312 -0.736 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCCNC2=O)on1 ZINC000599213533 376258337 /nfs/dbraw/zinc/25/83/37/376258337.db2.gz PQJDJTMLGYNOOP-ZETCQYMHSA-N -1 0 317.323 -0.592 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)C(=O)OC)on1 ZINC000599211102 376258869 /nfs/dbraw/zinc/25/88/69/376258869.db2.gz PWVCMODKKSTHFY-UHFFFAOYSA-N -1 0 306.296 -0.309 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCCNC(C)=O)on1 ZINC000599211107 376259026 /nfs/dbraw/zinc/25/90/26/376259026.db2.gz QEGCEMURKQUNBV-UHFFFAOYSA-N -1 0 305.312 -0.734 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)NCc1ncccc1O ZINC000599219919 376261351 /nfs/dbraw/zinc/26/13/51/376261351.db2.gz UMGMNBLLAZQUQM-UHFFFAOYSA-N -1 0 324.337 -0.344 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(N)=O)C(C)C)on1 ZINC000599228904 376262987 /nfs/dbraw/zinc/26/29/87/376262987.db2.gz MLIQIQZHPSFRHP-MRVPVSSYSA-N -1 0 305.312 -0.751 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)Cn2cncn2)on1 ZINC000599232960 376263140 /nfs/dbraw/zinc/26/31/40/376263140.db2.gz QILKDSAKNYHVDD-ZETCQYMHSA-N -1 0 315.311 -0.580 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](CO)SC)on1 ZINC000599267170 376266384 /nfs/dbraw/zinc/26/63/84/376266384.db2.gz SIJWRRAVFZOHEW-POYBYMJQSA-N -1 0 324.380 -0.148 20 0 DBADRM CCN(C)C(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599281642 376269787 /nfs/dbraw/zinc/26/97/87/376269787.db2.gz LGOHYFDBWJXMAL-UHFFFAOYSA-N -1 0 305.312 -0.782 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@H](O)C2(C)C)on1 ZINC000599281917 376270508 /nfs/dbraw/zinc/27/05/08/376270508.db2.gz XHPHQXWMFAZBQO-YUMQZZPRSA-N -1 0 304.324 -0.101 20 0 DBADRM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1nnn[n-]1 ZINC000599333997 376282522 /nfs/dbraw/zinc/28/25/22/376282522.db2.gz CXSJCSXFQCCWDD-UHFFFAOYSA-N -1 0 315.293 -0.678 20 0 DBADRM COCC[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599298397 376270870 /nfs/dbraw/zinc/27/08/70/376270870.db2.gz RVGBEEBPHHVBFQ-SSDOTTSWSA-N -1 0 308.312 -0.863 20 0 DBADRM CCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)OC)no2)n[nH]1 ZINC000599315389 376273861 /nfs/dbraw/zinc/27/38/61/376273861.db2.gz JSTMYGJYGMTXAA-UHFFFAOYSA-N -1 0 315.311 -0.380 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000599334390 376282650 /nfs/dbraw/zinc/28/26/50/376282650.db2.gz KCDGEXWXCRXRRS-UHFFFAOYSA-N -1 0 314.305 -0.221 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2ncn(C)n2)on1 ZINC000599288394 376276268 /nfs/dbraw/zinc/27/62/68/376276268.db2.gz SRIXJJGXJFRQOR-LURJTMIESA-N -1 0 315.311 -0.371 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599752560 376333105 /nfs/dbraw/zinc/33/31/05/376333105.db2.gz PYEHGEWURMQARG-LILOVNGRSA-N -1 0 319.408 -0.050 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)N=c1nc(SC)[n-]s1 ZINC000599757990 376333303 /nfs/dbraw/zinc/33/33/03/376333303.db2.gz OVROSOLFKUKTQD-RXMQYKEDSA-N -1 0 306.369 -0.273 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000599938337 376348402 /nfs/dbraw/zinc/34/84/02/376348402.db2.gz NRVBYSHIGAAHQS-VHSXEESVSA-N -1 0 314.338 -0.375 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000599333976 376283382 /nfs/dbraw/zinc/28/33/82/376283382.db2.gz BSIWTRAUKVKBAZ-UHFFFAOYSA-N -1 0 322.350 -0.430 20 0 DBADRM O=C(CSc1nnnn1C1CCCC1)NCc1nnn[n-]1 ZINC000599376629 376285026 /nfs/dbraw/zinc/28/50/26/376285026.db2.gz DEGNAKNQWSYOAR-UHFFFAOYSA-N -1 0 309.359 -0.290 20 0 DBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)NC[C@H]2COCCO2)C1 ZINC000252384777 376303874 /nfs/dbraw/zinc/30/38/74/376303874.db2.gz CCBDEKSPRZQRHP-UWVGGRQHSA-N -1 0 308.356 -0.967 20 0 DBADRM C[C@H](S[C@@H](C)C(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000601991319 376402661 /nfs/dbraw/zinc/40/26/61/376402661.db2.gz FEQBSHPMPRHICV-UWVGGRQHSA-N -1 0 318.395 -0.102 20 0 DBADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N(C)CC(=O)N1CCOCC1 ZINC000601991321 376402897 /nfs/dbraw/zinc/40/28/97/376402897.db2.gz FEQBSHPMPRHICV-ZJUUUORDSA-N -1 0 318.395 -0.102 20 0 DBADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000602003868 376403224 /nfs/dbraw/zinc/40/32/24/376403224.db2.gz WNWGHAXXJHTEQL-BDAKNGLRSA-N -1 0 318.395 -0.103 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])cn1C ZINC000061151936 376396057 /nfs/dbraw/zinc/39/60/57/376396057.db2.gz HYNKSTZTPNCZFG-UHFFFAOYSA-N -1 0 317.367 -0.132 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000062913337 376433701 /nfs/dbraw/zinc/43/37/01/376433701.db2.gz QBOKNCJSFOCGBN-LBPRGKRZSA-N -1 0 315.351 -0.391 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000062913338 376433771 /nfs/dbraw/zinc/43/37/71/376433771.db2.gz QBOKNCJSFOCGBN-GFCCVEGCSA-N -1 0 315.351 -0.391 20 0 DBADRM Cn1[n-]nnc1=NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000603494199 376558316 /nfs/dbraw/zinc/55/83/16/376558316.db2.gz ZPEHFWMMGKYLSP-UHFFFAOYSA-N -1 0 301.354 -0.607 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CCOC1 ZINC000603290468 376537341 /nfs/dbraw/zinc/53/73/41/376537341.db2.gz BFRUNUYSIFUHLL-MIZYBKAJSA-N -1 0 305.352 -0.442 20 0 DBADRM COC[C@](C)([N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2)C(=O)OC ZINC000603297252 376543288 /nfs/dbraw/zinc/54/32/88/376543288.db2.gz YTPZWHNFIMRLCJ-WYFGTUCQSA-N -1 0 307.368 -0.196 20 0 DBADRM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1nnn[n-]1 ZINC000604026649 376595913 /nfs/dbraw/zinc/59/59/13/376595913.db2.gz YCLXCKORQXLNLJ-VIFPVBQESA-N -1 0 316.387 -0.590 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)N1CCCC[C@H]1C)C(=O)[O-] ZINC000071337467 376610217 /nfs/dbraw/zinc/61/02/17/376610217.db2.gz DOCDAUPDPNIQPW-BDAKNGLRSA-N -1 0 308.356 -0.289 20 0 DBADRM C[C@]1(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCOC1 ZINC000397234302 376632479 /nfs/dbraw/zinc/63/24/79/376632479.db2.gz OEPMKTKVDGYEJG-LLVKDONJSA-N -1 0 303.340 -0.327 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cc1C#N ZINC000314632004 376647899 /nfs/dbraw/zinc/64/78/99/376647899.db2.gz FGGIEUSNNYOHEF-GFCCVEGCSA-N -1 0 311.319 -0.216 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000314711003 376647927 /nfs/dbraw/zinc/64/79/27/376647927.db2.gz MAASTMDJYFQMJF-GFCCVEGCSA-N -1 0 317.367 -0.160 20 0 DBADRM COc1cc(NC(=O)C(=O)NCc2nnn[n-]2)cc(OC)c1 ZINC000606116814 376727463 /nfs/dbraw/zinc/72/74/63/376727463.db2.gz GIJHVRADVJYKDF-UHFFFAOYSA-N -1 0 306.282 -0.528 20 0 DBADRM O=C(CN1CCOC[C@H]1C(=O)[O-])NC(=O)NC1CCCCC1 ZINC000316284016 376689312 /nfs/dbraw/zinc/68/93/12/376689312.db2.gz YMLCETHXVVEJTG-NSHDSACASA-N -1 0 313.354 -0.070 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000038020854 376734009 /nfs/dbraw/zinc/73/40/09/376734009.db2.gz LVXMOSGNKNZRBM-UHFFFAOYSA-N -1 0 322.383 -0.087 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)Cn1nc2ccccn2c1=O ZINC000261977238 376765458 /nfs/dbraw/zinc/76/54/58/376765458.db2.gz QVVFHVCSVBYPPI-UHFFFAOYSA-N -1 0 308.294 -0.944 20 0 DBADRM Cc1oc(C(=O)N(C)CC(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000262102610 376769234 /nfs/dbraw/zinc/76/92/34/376769234.db2.gz JCPJVNLXEGLLJG-UHFFFAOYSA-N -1 0 304.324 -0.005 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000262301287 376798270 /nfs/dbraw/zinc/79/82/70/376798270.db2.gz KQRGFVIPJKBGGG-UHFFFAOYSA-N -1 0 313.335 -0.583 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000262103615 304199800 /nfs/dbraw/zinc/19/98/00/304199800.db2.gz JCCMQDFAGUFZCE-VXGBXAGGSA-N -1 0 310.350 -0.053 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](C)C(=O)[O-])o1 ZINC000262325281 376806551 /nfs/dbraw/zinc/80/65/51/376806551.db2.gz SYOOZVQGCWYCHY-SSDOTTSWSA-N -1 0 304.324 -0.020 20 0 DBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)C[C@H](C)OC)cc1C ZINC000337856176 376901266 /nfs/dbraw/zinc/90/12/66/376901266.db2.gz LBNDZFMAAXMZDS-VIFPVBQESA-N -1 0 304.372 -0.286 20 0 DBADRM NC(=O)C(=O)Nc1cccc([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC000337882467 376901843 /nfs/dbraw/zinc/90/18/43/376901843.db2.gz ZDGJDFKAHKDSCJ-UHFFFAOYSA-N -1 0 309.307 -0.366 20 0 DBADRM CN1C(=O)c2ccc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc2C1=O ZINC000262404022 376888388 /nfs/dbraw/zinc/88/83/88/376888388.db2.gz AJNTUGVRGOZNRT-LLVKDONJSA-N -1 0 318.285 -0.162 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1ccnn1C)C(=O)[O-] ZINC000124174037 376932293 /nfs/dbraw/zinc/93/22/93/376932293.db2.gz NCBPHTBXBFITGU-SSDOTTSWSA-N -1 0 305.312 -0.895 20 0 DBADRM CCCc1nc(=NC(=O)Cn2ccc(=O)n(C)c2=O)s[n-]1 ZINC000338642953 376953860 /nfs/dbraw/zinc/95/38/60/376953860.db2.gz DJHCQWVAQURIKU-UHFFFAOYSA-N -1 0 309.351 -0.588 20 0 DBADRM CN(CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])S(C)(=O)=O ZINC000262482594 376960387 /nfs/dbraw/zinc/96/03/87/376960387.db2.gz UTWGAACEWHEQOH-LLVKDONJSA-N -1 0 314.363 -0.310 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CNC(=O)Cc1ccccc1 ZINC000262490066 376965487 /nfs/dbraw/zinc/96/54/87/376965487.db2.gz LUHLATLAGYSLFP-LBPRGKRZSA-N -1 0 306.318 -0.343 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@H](C)C(=O)[O-] ZINC000262540527 377023039 /nfs/dbraw/zinc/02/30/39/377023039.db2.gz RGWKXCDJHBSJKP-SECBINFHSA-N -1 0 310.372 -0.832 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000262591008 377034116 /nfs/dbraw/zinc/03/41/16/377034116.db2.gz HSIHGZSYGCWLRL-MNOVXSKESA-N -1 0 319.317 -0.208 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000262500469 376980725 /nfs/dbraw/zinc/98/07/25/376980725.db2.gz IBDYQADHCPNQSL-SSDOTTSWSA-N -1 0 316.335 -0.207 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)C(C)(C)NS(C)(=O)=O)s[n-]1 ZINC000338926929 376993688 /nfs/dbraw/zinc/99/36/88/376993688.db2.gz UMPZSHRPIIGNID-ZCFIWIBFSA-N -1 0 322.412 -0.066 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000262512034 376993994 /nfs/dbraw/zinc/99/39/94/376993994.db2.gz KLQCMWPOMPOVKV-BQBZGAKWSA-N -1 0 319.339 -0.452 20 0 DBADRM C[C@@H](CNC(=O)Cc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000531747424 377081463 /nfs/dbraw/zinc/08/14/63/377081463.db2.gz CFAJBNNEBDHWIK-QMMMGPOBSA-N -1 0 300.336 -0.287 20 0 DBADRM COC(=O)CCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000402531701 377088099 /nfs/dbraw/zinc/08/80/99/377088099.db2.gz QXHCXZPFHQFQKD-SNVBAGLBSA-N -1 0 319.339 -0.582 20 0 DBADRM C[C@@H]1C(=O)CC[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C1(C)C ZINC000408483235 296254012 /nfs/dbraw/zinc/25/40/12/296254012.db2.gz BMJVFTYOZSXDFV-HTQZYQBOSA-N -1 0 304.368 -0.441 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000263266567 377192871 /nfs/dbraw/zinc/19/28/71/377192871.db2.gz HJRBSUCXXGOGMS-VIFPVBQESA-N -1 0 310.372 -0.738 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)CC(=O)NCC(F)(F)F ZINC000263271713 377193022 /nfs/dbraw/zinc/19/30/22/377193022.db2.gz IEHOHLZECBMOMI-ZETCQYMHSA-N -1 0 312.244 -0.243 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C(=O)[O-] ZINC000567471519 377140061 /nfs/dbraw/zinc/14/00/61/377140061.db2.gz PCNVBCSPLDZPRB-LPEHRKFASA-N -1 0 310.372 -0.628 20 0 DBADRM O=C(CNC(=O)c1nn(-c2cccc(F)c2)cc1[O-])NCCO ZINC000339909398 377148217 /nfs/dbraw/zinc/14/82/17/377148217.db2.gz WOFZSJBYCVFIBW-UHFFFAOYSA-N -1 0 322.296 -0.445 20 0 DBADRM NC(=O)COCCNC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339911588 377149111 /nfs/dbraw/zinc/14/91/11/377149111.db2.gz XSCTVDAOJBGZKY-UHFFFAOYSA-N -1 0 322.296 -0.051 20 0 DBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)CCCC(=O)[O-] ZINC000571281304 377166611 /nfs/dbraw/zinc/16/66/11/377166611.db2.gz PRTRMJPZJJQZKL-IUCAKERBSA-N -1 0 315.413 -0.066 20 0 DBADRM O=C(Cc1[nH]c(O)nc1O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000339983117 377174920 /nfs/dbraw/zinc/17/49/20/377174920.db2.gz XROZRWZKXDFSBF-QMMMGPOBSA-N -1 0 301.266 -0.597 20 0 DBADRM C[C@@]1(c2cccc(C(=O)NCCC(=O)[O-])c2)NC(=O)NC1=O ZINC000263240677 377183945 /nfs/dbraw/zinc/18/39/45/377183945.db2.gz GFHWMLLUHGRUHM-AWEZNQCLSA-N -1 0 305.290 -0.054 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1=O ZINC000262233731 377267117 /nfs/dbraw/zinc/26/71/17/377267117.db2.gz MQTHAUHFQDDGCP-RMLUDKJBSA-N -1 0 307.306 -0.187 20 0 DBADRM C/C=C\C[C@@H](NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-] ZINC000571400259 377217260 /nfs/dbraw/zinc/21/72/60/377217260.db2.gz IXILBXQYDVXSEJ-DOGVGXBMSA-N -1 0 324.399 -0.165 20 0 DBADRM Cc1c(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])cnn1C ZINC000291827817 377227690 /nfs/dbraw/zinc/22/76/90/377227690.db2.gz FWOOIXZTPNPLNQ-SCZZXKLOSA-N -1 0 303.340 -0.409 20 0 DBADRM CCOC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1 ZINC000571463905 377229919 /nfs/dbraw/zinc/22/99/19/377229919.db2.gz MDODVSNISLGYMH-SNVBAGLBSA-N -1 0 317.319 -0.413 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])C2CC2)cs1 ZINC000262214050 377268089 /nfs/dbraw/zinc/26/80/89/377268089.db2.gz YOXQCDHRJMTEKB-QMMMGPOBSA-N -1 0 304.349 -0.012 20 0 DBADRM CC(=O)NCCN(C(=O)CN1CCSC1=O)[C@H](C)C(=O)[O-] ZINC000262295263 377270234 /nfs/dbraw/zinc/27/02/34/377270234.db2.gz ZLBSOKYZOWJHGS-MRVPVSSYSA-N -1 0 317.367 -0.407 20 0 DBADRM C[C@H]1OCCN(S(=O)(=O)CCOCC2CC2)[C@@H]1C(=O)[O-] ZINC000571516968 377250970 /nfs/dbraw/zinc/25/09/70/377250970.db2.gz WUAIYOMGYKLTNK-KOLCDFICSA-N -1 0 307.368 -0.083 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000571614043 377256828 /nfs/dbraw/zinc/25/68/28/377256828.db2.gz GZVPNQDVXYTHLK-ZRUFSTJUSA-N -1 0 324.399 -0.456 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000261700980 377259417 /nfs/dbraw/zinc/25/94/17/377259417.db2.gz OGTYUMOJIJOYAR-QMMMGPOBSA-N -1 0 311.323 -0.244 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000261804742 377262379 /nfs/dbraw/zinc/26/23/79/377262379.db2.gz LHWFOJNYSMDQSE-UHFFFAOYSA-N -1 0 313.335 -0.418 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)[C@H](C)C(=O)[O-])C1 ZINC000263335647 377265187 /nfs/dbraw/zinc/26/51/87/377265187.db2.gz WEIBNYLAMZAWNP-NXEZZACHSA-N -1 0 306.384 -0.020 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CN2CCCS2(=O)=O)o1 ZINC000262033969 377266048 /nfs/dbraw/zinc/26/60/48/377266048.db2.gz BKXWUKGSNUKSTG-UHFFFAOYSA-N -1 0 302.308 -0.371 20 0 DBADRM CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCc2nnn[n-]2)C1 ZINC000607341482 377339764 /nfs/dbraw/zinc/33/97/64/377339764.db2.gz ZRXKUQLXZOECJF-SNVBAGLBSA-N -1 0 309.374 -0.107 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CN1CC(=O)NC1=O ZINC000262327543 377273808 /nfs/dbraw/zinc/27/38/08/377273808.db2.gz DMKDWIVMHDZICQ-UTLUCORTSA-N -1 0 309.322 -0.218 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000262351078 377274152 /nfs/dbraw/zinc/27/41/52/377274152.db2.gz BDJQKCBGERLNQS-ZETCQYMHSA-N -1 0 319.339 -0.072 20 0 DBADRM COCCn1cc(S(=O)(=O)N(C)C[C@H](C)C(=O)[O-])cn1 ZINC000262466291 377276991 /nfs/dbraw/zinc/27/69/91/377276991.db2.gz TUMZEPIJIZQODS-VIFPVBQESA-N -1 0 305.356 -0.129 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccnc1 ZINC000262458368 377277038 /nfs/dbraw/zinc/27/70/38/377277038.db2.gz RVJORNHBNJVDQL-VIFPVBQESA-N -1 0 315.351 -0.319 20 0 DBADRM C[C@H](NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC000262823416 377278899 /nfs/dbraw/zinc/27/88/99/377278899.db2.gz WGRLEVMOKQVQOC-WJWGPLDTSA-N -1 0 305.290 -0.056 20 0 DBADRM COc1cccc(C[C@H](C(=O)NCC(=O)[O-])n2nnnc2C)c1 ZINC000262570285 377279357 /nfs/dbraw/zinc/27/93/57/377279357.db2.gz CIUZZVSCHSTURV-GFCCVEGCSA-N -1 0 319.321 -0.025 20 0 DBADRM COc1ncnc(OC)c1C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000262855381 377280240 /nfs/dbraw/zinc/28/02/40/377280240.db2.gz CLTHEINGFJNGRK-HTQZYQBOSA-N -1 0 311.294 -0.192 20 0 DBADRM C[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@@H](C(=O)[O-])O1 ZINC000262988597 377281823 /nfs/dbraw/zinc/28/18/23/377281823.db2.gz SCUOSVAOEJFNKC-RQJHMYQMSA-N -1 0 312.244 -0.245 20 0 DBADRM COC[C@@H](CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1)OC ZINC000626408563 377283669 /nfs/dbraw/zinc/28/36/69/377283669.db2.gz ALGBWIIWPOLYHM-SNVBAGLBSA-N -1 0 317.367 -0.156 20 0 DBADRM O=C([O-])COCCNC(=O)CN1C(=O)c2ccccc2C1=O ZINC000263439055 377285854 /nfs/dbraw/zinc/28/58/54/377285854.db2.gz LZWJSJAAPXITNE-UHFFFAOYSA-N -1 0 306.274 -0.500 20 0 DBADRM Cc1cc(F)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1F ZINC000268545980 377362710 /nfs/dbraw/zinc/36/27/10/377362710.db2.gz FIXJGYYNLZUXQX-UHFFFAOYSA-N -1 0 322.289 -0.248 20 0 DBADRM Cn1cc(/C=C/C(=O)NC(C)(C)CCC(=O)[O-])c(=O)n(C)c1=O ZINC000268896951 377377906 /nfs/dbraw/zinc/37/79/06/377377906.db2.gz PJBHDNTZUBBGLH-AATRIKPKSA-N -1 0 323.349 -0.143 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000268918775 377378301 /nfs/dbraw/zinc/37/83/01/377378301.db2.gz RIPRKSUREPEALR-MNOVXSKESA-N -1 0 323.349 -1.000 20 0 DBADRM CC[C@](C)(NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000268904907 377378797 /nfs/dbraw/zinc/37/87/97/377378797.db2.gz XIVGPNKJRGBSOP-UZYOAWRESA-N -1 0 309.322 -0.533 20 0 DBADRM Cn1cc(/C=C/C(=O)N(CC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000268957297 377379406 /nfs/dbraw/zinc/37/94/06/377379406.db2.gz VPNJWXCWXDMABE-ZZXKWVIFSA-N -1 0 307.306 -0.827 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000270421880 377446484 /nfs/dbraw/zinc/44/64/84/377446484.db2.gz FVZRGVUMJOZFCB-SNVBAGLBSA-N -1 0 311.323 -0.196 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-] ZINC000270413353 377447804 /nfs/dbraw/zinc/44/78/04/377447804.db2.gz CTVYGCHYTHCDEX-WCBMZHEXSA-N -1 0 303.340 -0.014 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000262399114 304204692 /nfs/dbraw/zinc/20/46/92/304204692.db2.gz LZBDNHIONSJTEQ-BDAKNGLRSA-N -1 0 322.408 -0.798 20 0 DBADRM COCCCOCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000271728756 377507865 /nfs/dbraw/zinc/50/78/65/377507865.db2.gz MLAOBNMMULFOII-UHFFFAOYSA-N -1 0 324.384 -0.099 20 0 DBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)C1(NC(N)=O)CC1 ZINC000271047232 377480250 /nfs/dbraw/zinc/48/02/50/377480250.db2.gz VTRBOKMBOCZHSG-UHFFFAOYSA-N -1 0 318.337 -0.543 20 0 DBADRM NC(=O)CO[N-]C(=O)CS(=O)(=O)CCCc1ccccc1 ZINC000271347031 377493962 /nfs/dbraw/zinc/49/39/62/377493962.db2.gz DJLRCQQRPGYABC-UHFFFAOYSA-N -1 0 314.363 -0.433 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)[N-]OCC(N)=O ZINC000271454516 377497846 /nfs/dbraw/zinc/49/78/46/377497846.db2.gz WFBNDEQFYBBLBX-ZETCQYMHSA-N -1 0 319.314 -0.974 20 0 DBADRM CCCCOc1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cn1 ZINC000275934552 377538613 /nfs/dbraw/zinc/53/86/13/377538613.db2.gz BPCMFFOTDGLWNH-UHFFFAOYSA-N -1 0 310.310 -0.268 20 0 DBADRM CCO[N-]C(=O)C(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21 ZINC000276181180 377552216 /nfs/dbraw/zinc/55/22/16/377552216.db2.gz SJUOJRFEULVFRM-NSHDSACASA-N -1 0 307.306 -0.406 20 0 DBADRM CN(C)c1ccc(Cl)cc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000276175265 377551795 /nfs/dbraw/zinc/55/17/95/377551795.db2.gz RWMBQKSALGIERP-UHFFFAOYSA-N -1 0 314.729 -0.122 20 0 DBADRM CCn1cc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cn1 ZINC000277311499 377592600 /nfs/dbraw/zinc/59/26/00/377592600.db2.gz LREVJEORTZDTAW-UHFFFAOYSA-N -1 0 314.327 -0.829 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000277631266 377604433 /nfs/dbraw/zinc/60/44/33/377604433.db2.gz NAGZAHDPZMXLIZ-UHFFFAOYSA-N -1 0 321.399 -0.879 20 0 DBADRM COc1ccsc1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000278159672 377616213 /nfs/dbraw/zinc/61/62/13/377616213.db2.gz CCEFXNIIRFIEKW-UHFFFAOYSA-N -1 0 322.364 -0.374 20 0 DBADRM COC(=O)c1coc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000277769172 377608197 /nfs/dbraw/zinc/60/81/97/377608197.db2.gz WAUPPKRSIJPVPQ-UHFFFAOYSA-N -1 0 318.307 -0.738 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1F ZINC000278292045 377619119 /nfs/dbraw/zinc/61/91/19/377619119.db2.gz ZVZRDFNGOUCQGX-SECBINFHSA-N -1 0 321.282 -0.664 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cncc(Cl)c1 ZINC000278270524 377619357 /nfs/dbraw/zinc/61/93/57/377619357.db2.gz OSFMRMHFAHUUQV-UHFFFAOYSA-N -1 0 321.742 -0.396 20 0 DBADRM Nc1cccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000278231193 377619547 /nfs/dbraw/zinc/61/95/47/377619547.db2.gz KJDHXAGTZGCYSE-UHFFFAOYSA-N -1 0 301.324 -0.862 20 0 DBADRM CCOC(=O)NCC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000278590847 377623623 /nfs/dbraw/zinc/62/36/23/377623623.db2.gz KJDZQXWPSUPZEC-UHFFFAOYSA-N -1 0 306.282 -0.360 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)NC/C=C/C(=O)[O-])CC1 ZINC000278546976 377625334 /nfs/dbraw/zinc/62/53/34/377625334.db2.gz ADVIUBCMMIOZAC-ONEGZZNKSA-N -1 0 321.355 -0.764 20 0 DBADRM Cc1nc(C)c(S(=O)(=O)NCCc2nc(=O)o[n-]2)s1 ZINC000279157716 377646807 /nfs/dbraw/zinc/64/68/07/377646807.db2.gz BKDHATJQPNAFEU-UHFFFAOYSA-N -1 0 304.353 -0.043 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N2CC(C(=O)[O-])C2)C1 ZINC000400132688 377647208 /nfs/dbraw/zinc/64/72/08/377647208.db2.gz RNFJTXWHRWNKKF-VIFPVBQESA-N -1 0 305.356 -0.864 20 0 DBADRM CC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000279911296 377671172 /nfs/dbraw/zinc/67/11/72/377671172.db2.gz DJLQLDNSJQOKKR-QMMMGPOBSA-N -1 0 322.364 -0.373 20 0 DBADRM COC[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C1CCOCC1 ZINC000617369553 377697679 /nfs/dbraw/zinc/69/76/79/377697679.db2.gz OQURWJKQTPBCBJ-LLVKDONJSA-N -1 0 311.338 -0.343 20 0 DBADRM CN(CC(=O)NCCc1nc(=O)o[n-]1)C(=O)OC(C)(C)C ZINC000279997719 377674362 /nfs/dbraw/zinc/67/43/62/377674362.db2.gz BGDGPOPQOWZYQB-UHFFFAOYSA-N -1 0 300.315 -0.112 20 0 DBADRM Cc1nn(C)c2ncc(C(=O)NCCc3nc(=O)o[n-]3)cc12 ZINC000280060324 377676563 /nfs/dbraw/zinc/67/65/63/377676563.db2.gz IKRKUKKWNNLSOY-UHFFFAOYSA-N -1 0 302.294 -0.074 20 0 DBADRM Cc1cn2c(ncc(C(=O)NCCc3nc(=O)o[n-]3)c2=O)s1 ZINC000280115866 377678767 /nfs/dbraw/zinc/67/87/67/377678767.db2.gz NUWSRVKLBUXMBE-UHFFFAOYSA-N -1 0 321.318 -0.287 20 0 DBADRM CC(C)(C)OC(=O)N1CC(C(=O)NCCc2nc(=O)o[n-]2)C1 ZINC000280193161 377682130 /nfs/dbraw/zinc/68/21/30/377682130.db2.gz UPDSYZIZLKAQRM-UHFFFAOYSA-N -1 0 312.326 -0.112 20 0 DBADRM COC(=O)CCCCCS(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000281282161 377727812 /nfs/dbraw/zinc/72/78/12/377727812.db2.gz XGGWDSWFEVEHGO-UHFFFAOYSA-N -1 0 321.355 -0.442 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@H]1CCCCC(=O)N1 ZINC000281816481 377749995 /nfs/dbraw/zinc/74/99/95/377749995.db2.gz KXECLKFPIGJQHT-LLVKDONJSA-N -1 0 316.321 -0.047 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCn1cc(Cl)cn1 ZINC000281939494 377755405 /nfs/dbraw/zinc/75/54/05/377755405.db2.gz BYCULCVGUQNWQS-UHFFFAOYSA-N -1 0 322.774 -0.491 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC000281946427 377755891 /nfs/dbraw/zinc/75/58/91/377755891.db2.gz RBRIMJPRMVPJGT-XPTSAGLGSA-N -1 0 307.306 -0.338 20 0 DBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NCCOCCO ZINC000282976510 377802912 /nfs/dbraw/zinc/80/29/12/377802912.db2.gz JUVHBOMCTYOURK-UHFFFAOYSA-N -1 0 323.374 -0.190 20 0 DBADRM CCS(=O)(=O)NCC(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000340172130 377835094 /nfs/dbraw/zinc/83/50/94/377835094.db2.gz YHHLLMQRFOWYRH-UHFFFAOYSA-N -1 0 302.360 -0.976 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000282626073 377787122 /nfs/dbraw/zinc/78/71/22/377787122.db2.gz BTFWICBAIGJIAC-UHFFFAOYSA-N -1 0 309.307 -0.442 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000291027662 377920195 /nfs/dbraw/zinc/92/01/95/377920195.db2.gz WUXJHSZEXLUEDF-ZCFIWIBFSA-N -1 0 311.747 -0.159 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)NCC[C@@H](C)O ZINC000291255103 377924136 /nfs/dbraw/zinc/92/41/36/377924136.db2.gz KIWSBRGYUDRVAP-SSDOTTSWSA-N -1 0 305.356 -0.543 20 0 DBADRM COC(=O)[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])cs1)OC ZINC000291987555 377941795 /nfs/dbraw/zinc/94/17/95/377941795.db2.gz VVWUYQCFUWUZMX-ZETCQYMHSA-N -1 0 323.348 -0.087 20 0 DBADRM O=C(CNC(=O)N=c1nc(-c2ccccc2)[n-]s1)NCCO ZINC000340413822 377964008 /nfs/dbraw/zinc/96/40/08/377964008.db2.gz FTVLRAFFPIWRHF-UHFFFAOYSA-N -1 0 321.362 -0.143 20 0 DBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)NCCC(=O)[O-] ZINC000340456085 377987145 /nfs/dbraw/zinc/98/71/45/377987145.db2.gz VMPGEJUMQDIZHV-UHFFFAOYSA-N -1 0 307.349 -0.157 20 0 DBADRM C[C@H](O)[C@H](NS(=O)(=O)CCOCc1ccccc1)C(=O)[O-] ZINC000296888665 378031821 /nfs/dbraw/zinc/03/18/21/378031821.db2.gz ILGBRTOPKLQYPH-JQWIXIFHSA-N -1 0 317.363 -0.043 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)CCOCc1ccccc1 ZINC000296916275 378033726 /nfs/dbraw/zinc/03/37/26/378033726.db2.gz KMYVDVLFHGFAIR-NSHDSACASA-N -1 0 303.336 -0.432 20 0 DBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)Cc2ccccc2)n1 ZINC000342736398 378109915 /nfs/dbraw/zinc/10/99/15/378109915.db2.gz XDMXOQHQCYHIRX-UHFFFAOYSA-N -1 0 309.351 -0.034 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@@H](CO)C1 ZINC000330484768 378218401 /nfs/dbraw/zinc/21/84/01/378218401.db2.gz YUSIQQKUGXFZJB-SNVBAGLBSA-N -1 0 314.363 -0.109 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@H](CO)C1 ZINC000330484767 378218743 /nfs/dbraw/zinc/21/87/43/378218743.db2.gz YUSIQQKUGXFZJB-JTQLQIEISA-N -1 0 314.363 -0.109 20 0 DBADRM O=c1[n-]c(CN2CCC(S(=O)(=O)N3CCCC3)CC2)n[nH]1 ZINC000328665268 378177675 /nfs/dbraw/zinc/17/76/75/378177675.db2.gz ZAUQHVXFHPPXAX-UHFFFAOYSA-N -1 0 315.399 -0.100 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c1 ZINC000402532897 378338210 /nfs/dbraw/zinc/33/82/10/378338210.db2.gz RTFKNYJTORQWNC-SNVBAGLBSA-N -1 0 313.339 -0.259 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCn2ccnc2C1)[C@@H](C)C(=O)[O-] ZINC000623176520 378360563 /nfs/dbraw/zinc/36/05/63/378360563.db2.gz DADRFIRMUZQPHS-CMPLNLGQSA-N -1 0 322.365 -0.117 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCn2ccnc2C1)[C@H](C)C(=O)[O-] ZINC000623176523 378360571 /nfs/dbraw/zinc/36/05/71/378360571.db2.gz DADRFIRMUZQPHS-ZYHUDNBSSA-N -1 0 322.365 -0.117 20 0 DBADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CCS(=O)(=O)CC1 ZINC000348829599 378403216 /nfs/dbraw/zinc/40/32/16/378403216.db2.gz WSGWGNDXYQJLNA-UHFFFAOYSA-N -1 0 323.330 -0.100 20 0 DBADRM CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC000583497305 378404001 /nfs/dbraw/zinc/40/40/01/378404001.db2.gz FITBFGSRNHMTKS-UHFFFAOYSA-N -1 0 301.386 -0.454 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)C[S@@](C)=O)C1 ZINC000383855795 378412026 /nfs/dbraw/zinc/41/20/26/378412026.db2.gz QKZKWZFHXWFBIR-GWUBFIHGSA-N -1 0 306.384 -0.114 20 0 DBADRM COCC[C@@H](NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1)C(N)=O ZINC000613266798 378378139 /nfs/dbraw/zinc/37/81/39/378378139.db2.gz UFSZYUCCQINBGB-SNVBAGLBSA-N -1 0 320.305 -0.350 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530150019 378443100 /nfs/dbraw/zinc/44/31/00/378443100.db2.gz KKJPPLGHJLSDRT-APPZFPTMSA-N -1 0 303.340 -0.409 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC000530154427 378444115 /nfs/dbraw/zinc/44/41/15/378444115.db2.gz TVHYHKGCOPZMNM-NSHDSACASA-N -1 0 303.340 -0.233 20 0 DBADRM O=C(CN1CCOCC1=O)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000329169086 378464592 /nfs/dbraw/zinc/46/45/92/378464592.db2.gz JHNIVLZFVYZBJD-VIFPVBQESA-N -1 0 309.326 -0.577 20 0 DBADRM Cc1cnc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1 ZINC000329408397 378481385 /nfs/dbraw/zinc/48/13/85/378481385.db2.gz BJNJSJALNRLGMH-UHFFFAOYSA-N -1 0 300.296 -0.819 20 0 DBADRM C[C@@H]1CN(CCNC(=O)c2cnc([O-])n(C)c2=O)[C@@H](C)CO1 ZINC000617731222 378564425 /nfs/dbraw/zinc/56/44/25/378564425.db2.gz XACXQVXZJAQYCX-VHSXEESVSA-N -1 0 310.354 -0.675 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CC(=O)[O-])C2)C1=O ZINC000532678807 378585285 /nfs/dbraw/zinc/58/52/85/378585285.db2.gz YWPGLVDHSCKNFV-MRVPVSSYSA-N -1 0 311.294 -0.880 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000532676747 378585581 /nfs/dbraw/zinc/58/55/81/378585581.db2.gz WZUPVARRYXLAHS-SNVBAGLBSA-N -1 0 312.347 -0.190 20 0 DBADRM COC(=O)c1ccc(F)c(NC(=O)C(=O)NCc2nnn[n-]2)c1 ZINC000609953673 378626224 /nfs/dbraw/zinc/62/62/24/378626224.db2.gz RBRIUNKFEGVOBH-UHFFFAOYSA-N -1 0 322.256 -0.620 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000532793223 378587404 /nfs/dbraw/zinc/58/74/04/378587404.db2.gz WQGYTCWYPQDQRD-QMMMGPOBSA-N -1 0 316.387 -0.767 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000532793141 378587648 /nfs/dbraw/zinc/58/76/48/378587648.db2.gz ACIYEOFTGNWJLI-VIFPVBQESA-N -1 0 301.372 -0.270 20 0 DBADRM C[C@H]1CN(C(=O)NCCS(=O)(=O)N(C)C)CC[C@H]1C(=O)[O-] ZINC000313968801 378590750 /nfs/dbraw/zinc/59/07/50/378590750.db2.gz NIUWUZIZYDLSCP-VHSXEESVSA-N -1 0 321.399 -0.370 20 0 DBADRM CNS(=O)(=O)c1ccc(NCc2n[nH]c(=O)[n-]2)c(F)c1 ZINC000301927606 378606132 /nfs/dbraw/zinc/60/61/32/378606132.db2.gz MJBZVNOVFFPKMR-UHFFFAOYSA-N -1 0 301.303 -0.243 20 0 DBADRM Cn1cnc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)c1Cl ZINC000367140752 378621119 /nfs/dbraw/zinc/62/11/19/378621119.db2.gz LMYZTICLFDAQRW-UHFFFAOYSA-N -1 0 323.758 -0.014 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H]1C(=O)[O-] ZINC000384662022 378666570 /nfs/dbraw/zinc/66/65/70/378666570.db2.gz UWGOUXASRFHETO-BDAKNGLRSA-N -1 0 306.340 -0.582 20 0 DBADRM COc1ncc([N-]S(=O)(=O)c2ccnn2C)cc1C(N)=O ZINC000353831711 378688189 /nfs/dbraw/zinc/68/81/89/378688189.db2.gz ZINZURTZAYOEBA-UHFFFAOYSA-N -1 0 311.323 -0.277 20 0 DBADRM CCNC(=O)[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)C(C)C ZINC000354308247 378725004 /nfs/dbraw/zinc/72/50/04/378725004.db2.gz MTADIZLUIRWBLN-NSHDSACASA-N -1 0 305.338 -0.087 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)NC(C)(C)c2nnn[n-]2)c1 ZINC000354759821 378763608 /nfs/dbraw/zinc/76/36/08/378763608.db2.gz NOVVZPUALDZWAB-UHFFFAOYSA-N -1 0 324.366 -0.227 20 0 DBADRM CC(C)(NC(=O)c1ccc(OCC(N)=O)cc1)c1nnn[n-]1 ZINC000354789483 378767204 /nfs/dbraw/zinc/76/72/04/378767204.db2.gz RIYMNOSYBFECAD-UHFFFAOYSA-N -1 0 304.310 -0.271 20 0 DBADRM NC(=O)[C@]1(O)CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000355073136 378783038 /nfs/dbraw/zinc/78/30/38/378783038.db2.gz TYUDAPLXWMPIPR-HNNXBMFYSA-N -1 0 316.317 -0.360 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000355301368 378803258 /nfs/dbraw/zinc/80/32/58/378803258.db2.gz BRNDABBEORXGLN-VIFPVBQESA-N -1 0 313.397 -0.453 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N=c2nc(-c3cccnc3)[n-]s2)O1 ZINC000355317674 378803864 /nfs/dbraw/zinc/80/38/64/378803864.db2.gz RKADSWSVJVRWKI-BDAKNGLRSA-N -1 0 319.346 -0.007 20 0 DBADRM NC(=O)c1ccc(C(=O)Nc2n[nH]c(SCCO)n2)cn1 ZINC000355427872 378815201 /nfs/dbraw/zinc/81/52/01/378815201.db2.gz UDWRHMSYMBPPPF-UHFFFAOYSA-N -1 0 308.323 -0.365 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@H]1CCN(C)C1=O ZINC000355838500 378840130 /nfs/dbraw/zinc/84/01/30/378840130.db2.gz ZUZFEYNMOWSSTN-OUAUKWLOSA-N -1 0 318.395 -0.132 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)NC(C)=O)ccc1[O-] ZINC000357323595 378936871 /nfs/dbraw/zinc/93/68/71/378936871.db2.gz LXERXZDKJKSGAO-SSDOTTSWSA-N -1 0 315.351 -0.237 20 0 DBADRM O=C([O-])CCNC(=O)CNC(=O)c1cnc2ccccc2c1O ZINC000357395468 378942408 /nfs/dbraw/zinc/94/24/08/378942408.db2.gz VFBKMDWNUMZLFO-UHFFFAOYSA-N -1 0 317.301 -0.151 20 0 DBADRM O=C(NCCCOCCO)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000357051676 378914514 /nfs/dbraw/zinc/91/45/14/378914514.db2.gz KTOOJFRZOQOWRM-UHFFFAOYSA-N -1 0 308.294 -0.435 20 0 DBADRM O=C(CCCNC(=O)c1cccnc1)NC1(c2nnn[n-]2)CC1 ZINC000357072019 378917060 /nfs/dbraw/zinc/91/70/60/378917060.db2.gz PQJTVAHDRMXZDE-UHFFFAOYSA-N -1 0 315.337 -0.090 20 0 DBADRM Cn1nc(C(=O)NC2(c3nnn[n-]3)CC2)c(=O)c2ccccc21 ZINC000357081834 378918631 /nfs/dbraw/zinc/91/86/31/378918631.db2.gz WIUKHUGTGIQVQT-UHFFFAOYSA-N -1 0 311.305 -0.134 20 0 DBADRM NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000357553647 378951913 /nfs/dbraw/zinc/95/19/13/378951913.db2.gz BNDBYWXFIOKIDA-UHFFFAOYSA-N -1 0 316.364 -0.001 20 0 DBADRM CC(=O)NCCN(C(=O)COC[C@H]1CCOC1)[C@H](C)C(=O)[O-] ZINC000357767868 378970052 /nfs/dbraw/zinc/97/00/52/378970052.db2.gz YSZFGIJPVSKNBM-PWSUYJOCSA-N -1 0 316.354 -0.523 20 0 DBADRM CC(C)CO[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000643431326 378994541 /nfs/dbraw/zinc/99/45/41/378994541.db2.gz HHBBXFSTEFROLN-UWVGGRQHSA-N -1 0 307.368 -0.242 20 0 DBADRM C[C@@H](CN(C)C(=O)CN1C(=O)NC(C)(C)C1=O)c1nnn[n-]1 ZINC000358392339 379034295 /nfs/dbraw/zinc/03/42/95/379034295.db2.gz OWDADRUUYVQDLG-ZETCQYMHSA-N -1 0 309.330 -0.908 20 0 DBADRM COCCN1C[C@H](C(=O)N(C)C[C@H](C)c2nnn[n-]2)CC1=O ZINC000358384763 379034736 /nfs/dbraw/zinc/03/47/36/379034736.db2.gz TVLJKGYCJZAUSU-VHSXEESVSA-N -1 0 310.358 -0.744 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000358392152 379034980 /nfs/dbraw/zinc/03/49/80/379034980.db2.gz PUZXRZYNKNCLEF-JTQLQIEISA-N -1 0 311.390 -0.782 20 0 DBADRM C[C@H](CN(C)C(=O)CNC(=O)c1ncccc1O)c1nnn[n-]1 ZINC000358400909 379036866 /nfs/dbraw/zinc/03/68/66/379036866.db2.gz ZSPNGSDPQNTIND-MRVPVSSYSA-N -1 0 319.325 -0.708 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1ccc2c(c1)C(=O)NC2=O ZINC000358602105 379064187 /nfs/dbraw/zinc/06/41/87/379064187.db2.gz VVYKPKRTBGEVHH-UHFFFAOYSA-N -1 0 315.289 -0.244 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)[C@@H]2COCCO2)C1=O ZINC000358715360 379081469 /nfs/dbraw/zinc/08/14/69/379081469.db2.gz NZUUBIKJGPVJHR-GARJFASQSA-N -1 0 314.338 -0.772 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)[C@H]2COCCO2)C1=O ZINC000358715364 379081942 /nfs/dbraw/zinc/08/19/42/379081942.db2.gz NZUUBIKJGPVJHR-HBNTYKKESA-N -1 0 314.338 -0.772 20 0 DBADRM Cc1cc2c(cc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1)OCO2 ZINC000358841522 379096000 /nfs/dbraw/zinc/09/60/00/379096000.db2.gz QWBVKCVMBVXFMB-UHFFFAOYSA-N -1 0 319.277 -0.198 20 0 DBADRM O=C(CN1C(=O)c2ccccc2C1=O)NCc1n[nH]c(=O)[n-]1 ZINC000359278461 379142911 /nfs/dbraw/zinc/14/29/11/379142911.db2.gz RZGJQDAPNCHGNU-UHFFFAOYSA-N -1 0 301.262 -0.577 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]c2cn(C)nn2)cc1C(N)=O ZINC000359488413 379169901 /nfs/dbraw/zinc/16/99/01/379169901.db2.gz YLFLOXPMRQAGAW-UHFFFAOYSA-N -1 0 311.323 -0.277 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000359524828 379172601 /nfs/dbraw/zinc/17/26/01/379172601.db2.gz QNVGYNNOPGWHAB-UHFFFAOYSA-N -1 0 304.372 -0.370 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000359819014 379201934 /nfs/dbraw/zinc/20/19/34/379201934.db2.gz PJGISVXDPJLFKX-UHFFFAOYSA-N -1 0 311.323 -0.652 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)Cc2cc[nH]n2)s1 ZINC000359953836 379213280 /nfs/dbraw/zinc/21/32/80/379213280.db2.gz GDWQYCBAKCLMAN-UHFFFAOYSA-N -1 0 302.341 -0.186 20 0 DBADRM CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000360134569 379229345 /nfs/dbraw/zinc/22/93/45/379229345.db2.gz XEAUPBRIJNQTCF-QMMMGPOBSA-N -1 0 312.269 -0.511 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCC1)[C@@H](C)O ZINC000360181351 379235434 /nfs/dbraw/zinc/23/54/34/379235434.db2.gz BVQCUWAXFSVIJN-BDAKNGLRSA-N -1 0 323.367 -0.829 20 0 DBADRM C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC000360409562 379262766 /nfs/dbraw/zinc/26/27/66/379262766.db2.gz YCIUZYZIAUCBBS-NWDGAFQWSA-N -1 0 311.382 -0.090 20 0 DBADRM COc1ccc(CCNC(=O)C(=O)[O-])cc1S(N)(=O)=O ZINC000360406524 379263713 /nfs/dbraw/zinc/26/37/13/379263713.db2.gz HHFNJLULHCSCLX-UHFFFAOYSA-N -1 0 302.308 -0.914 20 0 DBADRM CCOC(=O)[C@H](CO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000360608565 379282909 /nfs/dbraw/zinc/28/29/09/379282909.db2.gz VLEFKZLEGZBTLO-QMMMGPOBSA-N -1 0 322.277 -0.910 20 0 DBADRM COC(=O)[C@](C)(O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000362417215 379437197 /nfs/dbraw/zinc/43/71/97/379437197.db2.gz IVQFEYUSJRIZPG-CYBMUJFWSA-N -1 0 322.277 -0.910 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000362490386 379442329 /nfs/dbraw/zinc/44/23/29/379442329.db2.gz RIUBMRJRSWOZGJ-JTQLQIEISA-N -1 0 305.290 -0.158 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000368411415 379538419 /nfs/dbraw/zinc/53/84/19/379538419.db2.gz OCWXYFCBNCMVJD-ZETCQYMHSA-N -1 0 323.758 -0.144 20 0 DBADRM COc1n[nH]c(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)n1 ZINC000368582133 379547353 /nfs/dbraw/zinc/54/73/53/379547353.db2.gz JGSBNERKBLXGGE-GFCCVEGCSA-N -1 0 308.298 -0.528 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000367889869 379522276 /nfs/dbraw/zinc/52/22/76/379522276.db2.gz PUKVSGISTDMDHV-MRVPVSSYSA-N -1 0 309.340 -0.699 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000390128536 379634129 /nfs/dbraw/zinc/63/41/29/379634129.db2.gz CONVZPOVGQAGLP-SECBINFHSA-N -1 0 309.388 -0.276 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000390283207 379636602 /nfs/dbraw/zinc/63/66/02/379636602.db2.gz UOSXQTAVJQIGHB-JTQLQIEISA-N -1 0 321.399 -0.178 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)C[C@H](C)O1 ZINC000582355424 379638048 /nfs/dbraw/zinc/63/80/48/379638048.db2.gz KDKCRADPYRAEGI-JFGNBEQYSA-N -1 0 322.383 -0.436 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCc2cn(C)cn2)C[C@@H]1C(=O)[O-] ZINC000582360566 379639293 /nfs/dbraw/zinc/63/92/93/379639293.db2.gz UAXNCGCJTNSWMG-JQWIXIFHSA-N -1 0 322.365 -0.352 20 0 DBADRM CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643452864 379639438 /nfs/dbraw/zinc/63/94/38/379639438.db2.gz LWJLATYIWSBGAH-MXWKQRLJSA-N -1 0 314.338 -0.676 20 0 DBADRM O=C([O-])[C@]1(NC(=O)Nc2ccc3c(c2)C(=O)NC3=O)CCOC1 ZINC000390923700 379643702 /nfs/dbraw/zinc/64/37/02/379643702.db2.gz BMNGIPOGHHKCFI-AWEZNQCLSA-N -1 0 319.273 -0.065 20 0 DBADRM COC[C@@](C)(CO)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000626471202 379609487 /nfs/dbraw/zinc/60/94/87/379609487.db2.gz VTBURRFTZDZIEB-GFCCVEGCSA-N -1 0 317.367 -0.420 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCC(F)(F)CO)cn1 ZINC000626479943 379620415 /nfs/dbraw/zinc/62/04/15/379620415.db2.gz CRDDTAICJPYKDA-UHFFFAOYSA-N -1 0 309.294 -0.190 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N[C@H]2CC(=O)N(C)C2=O)c1 ZINC000582310389 379625740 /nfs/dbraw/zinc/62/57/40/379625740.db2.gz HIYZLOXRLPYZQW-KPWVOAKYSA-N -1 0 324.358 -0.324 20 0 DBADRM CN(C[C@@H]1CCCCO1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643457045 379684503 /nfs/dbraw/zinc/68/45/03/379684503.db2.gz HNLRUGRSZJWEKC-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C[C@H](C)S1 ZINC000643457490 379688036 /nfs/dbraw/zinc/68/80/36/379688036.db2.gz GIGIMEQXIPICIM-AEJSXWLSSA-N -1 0 316.379 -0.349 20 0 DBADRM Cc1cnn(Cc2cc(C(=O)NC[C@](C)(O)C(=O)[O-])no2)c1 ZINC000582420186 379652791 /nfs/dbraw/zinc/65/27/91/379652791.db2.gz FNWKJTOMIYBXBW-ZDUSSCGKSA-N -1 0 308.294 -0.207 20 0 DBADRM CCO[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000643456244 379671071 /nfs/dbraw/zinc/67/10/71/379671071.db2.gz OJABGSGKDDPVIP-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000377116157 379680668 /nfs/dbraw/zinc/68/06/68/379680668.db2.gz RLGFARLUVMXWHJ-NEPJUHHUSA-N -1 0 317.411 -0.194 20 0 DBADRM CC[C@]1(CO)CCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643460796 379707199 /nfs/dbraw/zinc/70/71/99/379707199.db2.gz CJVNPAAJJCIUIN-QMTHXVAHSA-N -1 0 314.338 -0.938 20 0 DBADRM CCCCN(CCCO)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643462529 379792339 /nfs/dbraw/zinc/79/23/39/379792339.db2.gz CPECNJXAYHVVLU-LLVKDONJSA-N -1 0 316.354 -0.691 20 0 DBADRM C[C@H]1CSCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000643463776 379798181 /nfs/dbraw/zinc/79/81/81/379798181.db2.gz HLUAVAQAOAOPNZ-ZJUUUORDSA-N -1 0 316.379 -0.490 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCS1 ZINC000643463756 379798412 /nfs/dbraw/zinc/79/84/12/379798412.db2.gz AHFFWXIKPMITRT-VHSXEESVSA-N -1 0 316.379 -0.348 20 0 DBADRM C[C@H]1CSCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000643463770 379798502 /nfs/dbraw/zinc/79/85/02/379798502.db2.gz HLUAVAQAOAOPNZ-NXEZZACHSA-N -1 0 316.379 -0.490 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@@H](C)[C@H](C)O1 ZINC000643464337 379806857 /nfs/dbraw/zinc/80/68/57/379806857.db2.gz GRCWUZBPQQXAON-RCWTZXSCSA-N -1 0 314.338 -0.677 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@H](C)[C@H](C)O1 ZINC000643464339 379807288 /nfs/dbraw/zinc/80/72/88/379807288.db2.gz GRCWUZBPQQXAON-ZNSHCXBVSA-N -1 0 314.338 -0.677 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC[C@H]1C ZINC000643461551 379760827 /nfs/dbraw/zinc/76/08/27/379760827.db2.gz SVQNKZZZIZGEIH-MXWKQRLJSA-N -1 0 314.338 -0.818 20 0 DBADRM O=C(NCC1(CO)CCCC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000186967528 379766783 /nfs/dbraw/zinc/76/67/83/379766783.db2.gz OIKJMNWUZMWDIG-UHFFFAOYSA-N -1 0 318.333 -0.106 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CNC(=O)C1 ZINC000232227818 379782094 /nfs/dbraw/zinc/78/20/94/379782094.db2.gz NPHRTGHPJMBOOW-YFKPBYRVSA-N -1 0 305.337 -0.904 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C(F)F)CC2)C1 ZINC000633069815 379787296 /nfs/dbraw/zinc/78/72/96/379787296.db2.gz AZXBNRNJYJVEOR-IUCAKERBSA-N -1 0 320.292 -0.198 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CC(C3CCCC3)C2)CCO1 ZINC000643464813 379809344 /nfs/dbraw/zinc/80/93/44/379809344.db2.gz WVHWQFVPGRVHRN-GFCCVEGCSA-N -1 0 310.350 -0.053 20 0 DBADRM CC(C)NC(=O)CN(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000053135538 379828843 /nfs/dbraw/zinc/82/88/43/379828843.db2.gz SEXIZRIHNHHNFY-UHFFFAOYSA-N -1 0 319.321 -0.380 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000584843819 379851022 /nfs/dbraw/zinc/85/10/22/379851022.db2.gz SVGBKEHARLQMJK-MNOVXSKESA-N -1 0 308.338 -0.002 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000040396522 379860991 /nfs/dbraw/zinc/86/09/91/379860991.db2.gz PUNHSKHEOTXROG-HLTSFMKQSA-N -1 0 310.397 -0.200 20 0 DBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)N1CCc2ccccc2C1 ZINC000040699565 379861440 /nfs/dbraw/zinc/86/14/40/379861440.db2.gz URLYQOZEBBNZFK-GFCCVEGCSA-N -1 0 314.363 -0.285 20 0 DBADRM CN(C(=O)N1CSC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000040591311 379861971 /nfs/dbraw/zinc/86/19/71/379861971.db2.gz PCZPJFFJSFJEOI-SFYZADRCSA-N -1 0 308.381 -0.315 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCO[C@H]3CCC[C@H]32)cn1 ZINC000227154295 379864778 /nfs/dbraw/zinc/86/47/78/379864778.db2.gz RIPCXQVQLQPRKR-MNOVXSKESA-N -1 0 315.351 -0.090 20 0 DBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000230064182 379867268 /nfs/dbraw/zinc/86/72/68/379867268.db2.gz GAJSXIUTAFOVPB-VIFPVBQESA-N -1 0 304.280 -0.291 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C3CC3)C2)CCO1 ZINC000643467252 379820983 /nfs/dbraw/zinc/82/09/83/379820983.db2.gz QPAQIJHCYSHVFR-VXGBXAGGSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]3COC[C@@H]32)C1 ZINC000643466828 379821108 /nfs/dbraw/zinc/82/11/08/379821108.db2.gz XFFIWDSHEIZQME-UTUOFQBUSA-N -1 0 310.350 -0.053 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])c1 ZINC000230102879 379867531 /nfs/dbraw/zinc/86/75/31/379867531.db2.gz SHAUNAOCNZNWMJ-SNVBAGLBSA-N -1 0 317.319 -0.149 20 0 DBADRM CN(C[C@H](O)C1CC1)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000643467355 379823025 /nfs/dbraw/zinc/82/30/25/379823025.db2.gz LYNCPZKNYMLRDY-PWSUYJOCSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)C[C@@H](O)C2CC2)C1 ZINC000643468610 379823092 /nfs/dbraw/zinc/82/30/92/379823092.db2.gz KDWKMGAZWZSROE-ADEWGFFLSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])C1 ZINC000230094810 379867860 /nfs/dbraw/zinc/86/78/60/379867860.db2.gz VHERRUBCQCWVNR-RKDXNWHRSA-N -1 0 307.372 -0.729 20 0 DBADRM O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1nc(=O)[nH][n-]1 ZINC000104934428 379888955 /nfs/dbraw/zinc/88/89/55/379888955.db2.gz BHEOUGPJYJFVNN-LURJTMIESA-N -1 0 314.248 -0.454 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000420570896 380065002 /nfs/dbraw/zinc/06/50/02/380065002.db2.gz XDPDQRIUSDUUIR-VFZGTOFNSA-N -1 0 323.349 -0.811 20 0 DBADRM CCOC(=O)C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000420568823 380065444 /nfs/dbraw/zinc/06/54/44/380065444.db2.gz XIIQVKGXSCMZKJ-NXEZZACHSA-N -1 0 316.354 -0.129 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000420525049 380065531 /nfs/dbraw/zinc/06/55/31/380065531.db2.gz AYPUEDMVRQLFKO-UHFFFAOYSA-N -1 0 322.317 -0.293 20 0 DBADRM CCOC(=O)C[C@H](C)CNC(=O)C(=O)N(C)CCC(=O)[O-] ZINC000420551610 380066882 /nfs/dbraw/zinc/06/68/82/380066882.db2.gz DWCXPBVGJBITJD-VIFPVBQESA-N -1 0 302.327 -0.375 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)NCCCCCC(=O)[O-])C[C@H]1OC ZINC000420577111 380066893 /nfs/dbraw/zinc/06/68/93/380066893.db2.gz MLBVLQXLJKOHNP-GHMZBOCLSA-N -1 0 316.354 -0.380 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC000420548649 380066956 /nfs/dbraw/zinc/06/69/56/380066956.db2.gz FCBWGRMGFHKPJP-DTWKUNHWSA-N -1 0 311.338 -0.955 20 0 DBADRM C[C@H]1C[C@@H](O)CN1C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000420591380 380067158 /nfs/dbraw/zinc/06/71/58/380067158.db2.gz VKQZDLDFVWUPOG-JOYOIKCWSA-N -1 0 306.318 -0.017 20 0 DBADRM COC(=O)C[C@H]1CCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000420598353 380068265 /nfs/dbraw/zinc/06/82/65/380068265.db2.gz WNXWFPZZYLBFPR-SECBINFHSA-N -1 0 300.311 -0.479 20 0 DBADRM Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000572223655 380140223 /nfs/dbraw/zinc/14/02/23/380140223.db2.gz DEFICBCYLPFMRD-KWQFWETISA-N -1 0 320.309 -0.074 20 0 DBADRM C[C@H]1OCCN(S(=O)(=O)c2cnc3n2CCC3)[C@@H]1C(=O)[O-] ZINC000571717063 380117475 /nfs/dbraw/zinc/11/74/75/380117475.db2.gz RCDUKEDHGYNBPA-KCJUWKMLSA-N -1 0 315.351 -0.308 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC000571790268 380118313 /nfs/dbraw/zinc/11/83/13/380118313.db2.gz GBHSRRQLNVVZBL-GUBZILKMSA-N -1 0 315.351 -0.014 20 0 DBADRM CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000571743168 380118950 /nfs/dbraw/zinc/11/89/50/380118950.db2.gz QYQDHCIFVFTFAH-ZDUSSCGKSA-N -1 0 312.326 -0.058 20 0 DBADRM CO[C@H]1CCN(C(=O)NCCCn2ccnn2)[C@H](C(=O)[O-])C1 ZINC000571741494 380119225 /nfs/dbraw/zinc/11/92/25/380119225.db2.gz YMWRWQXFZMKYIK-QWRGUYRKSA-N -1 0 311.342 -0.058 20 0 DBADRM CS(=O)(=O)CCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000571878685 380122671 /nfs/dbraw/zinc/12/26/71/380122671.db2.gz MMINYMGPMMQDHF-UHFFFAOYSA-N -1 0 322.364 -0.507 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)c1 ZINC000571882358 380123316 /nfs/dbraw/zinc/12/33/16/380123316.db2.gz XNWBZEQGRSGYBA-GXSJLCMTSA-N -1 0 308.290 -0.865 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)nc1 ZINC000262869782 380204559 /nfs/dbraw/zinc/20/45/59/380204559.db2.gz WILYJPYEPKHKLJ-ONGXEEELSA-N -1 0 307.306 -0.210 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000262244978 380179137 /nfs/dbraw/zinc/17/91/37/380179137.db2.gz AUWTVSCHVYDACX-KXUCPTDWSA-N -1 0 320.367 -0.841 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)C2=O)cn1 ZINC000262287938 380181610 /nfs/dbraw/zinc/18/16/10/380181610.db2.gz KQQCYEYTADRNQW-GARJFASQSA-N -1 0 322.321 -0.726 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000262333175 380183486 /nfs/dbraw/zinc/18/34/86/380183486.db2.gz WFXGGXUVAGXRBN-NSHDSACASA-N -1 0 310.350 -0.051 20 0 DBADRM COCC[C@@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000262356003 380185146 /nfs/dbraw/zinc/18/51/46/380185146.db2.gz ZTCOJERBWKAXKZ-GFCCVEGCSA-N -1 0 319.321 -0.189 20 0 DBADRM CCCC[C@@H](NS(=O)(=O)N(C)CCC(=O)OC)C(=O)[O-] ZINC000262678978 380198751 /nfs/dbraw/zinc/19/87/51/380198751.db2.gz SABVLYSSUQDGBI-SECBINFHSA-N -1 0 310.372 -0.041 20 0 DBADRM C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000262610742 380198869 /nfs/dbraw/zinc/19/88/69/380198869.db2.gz BFCTUOMRKDFDBE-VIFPVBQESA-N -1 0 315.351 -0.461 20 0 DBADRM CC(C)C(=O)N1CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000262913684 380203880 /nfs/dbraw/zinc/20/38/80/380203880.db2.gz KBCKSFWAEJGYBO-SNVBAGLBSA-N -1 0 322.383 -0.784 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)NCCCC(=O)[O-])cn1 ZINC000261670200 380152762 /nfs/dbraw/zinc/15/27/62/380152762.db2.gz KGMHPVAZKBTJGZ-UHFFFAOYSA-N -1 0 305.312 -0.801 20 0 DBADRM CO[C@@H](CNC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000263140994 380211212 /nfs/dbraw/zinc/21/12/12/380211212.db2.gz VHLDIPNNTFIIHK-QMMMGPOBSA-N -1 0 320.323 -0.641 20 0 DBADRM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000263308589 380212866 /nfs/dbraw/zinc/21/28/66/380212866.db2.gz FWPUFLMTFKPBLQ-NSHDSACASA-N -1 0 323.353 -0.164 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2[O-])CCO1 ZINC000133212268 380234718 /nfs/dbraw/zinc/23/47/18/380234718.db2.gz OHFDFKISQBZMTD-JTQLQIEISA-N -1 0 301.320 -0.045 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000422638849 380294481 /nfs/dbraw/zinc/29/44/81/380294481.db2.gz VIEQNGKTSJLAPW-SSDOTTSWSA-N -1 0 323.280 -0.191 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C[C@H](CO)O1 ZINC000422630999 380294886 /nfs/dbraw/zinc/29/48/86/380294886.db2.gz CYTIXIPSWBGGHX-NXEZZACHSA-N -1 0 322.317 -0.069 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000422699480 380295713 /nfs/dbraw/zinc/29/57/13/380295713.db2.gz AQUCPCQXRBAICV-UTUOFQBUSA-N -1 0 322.365 -0.043 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCCn2cccn2)C1 ZINC000422724801 380295816 /nfs/dbraw/zinc/29/58/16/380295816.db2.gz WQNNHICNEZXORO-RYUDHWBXSA-N -1 0 322.365 -0.041 20 0 DBADRM Cc1cccc2c1N(C(=O)C(=O)NC[C@](C)(O)C(=O)[O-])CC2 ZINC000422679081 380295952 /nfs/dbraw/zinc/29/59/52/380295952.db2.gz RITCUEZMZHNKJS-HNNXBMFYSA-N -1 0 306.318 -0.164 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c2ccccc2O1 ZINC000422676528 380296003 /nfs/dbraw/zinc/29/60/03/380296003.db2.gz DWSJAWQBKPRQHZ-VFZGTOFNSA-N -1 0 322.317 -0.248 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCOCC(F)F)C1 ZINC000422703472 380296546 /nfs/dbraw/zinc/29/65/46/380296546.db2.gz NEGZNORBVRKIGD-RKDXNWHRSA-N -1 0 322.308 -0.047 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C(C)(C)O)C[C@H]1C(=O)[O-] ZINC000422826456 380297437 /nfs/dbraw/zinc/29/74/37/380297437.db2.gz LODXWCWQMONQES-GMTAPVOTSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC(C)(C)O)C1 ZINC000422817094 380297490 /nfs/dbraw/zinc/29/74/90/380297490.db2.gz CFZNZDBLZXKNEY-UWVGGRQHSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC2(CO)CC2)C1 ZINC000422824561 380298036 /nfs/dbraw/zinc/29/80/36/380298036.db2.gz ODRLHPXVFKCJBO-GHMZBOCLSA-N -1 0 312.366 -0.214 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000422783152 380298221 /nfs/dbraw/zinc/29/82/21/380298221.db2.gz KRDXNEHNWMZWNE-VHSXEESVSA-N -1 0 311.338 -0.811 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000422765266 380298304 /nfs/dbraw/zinc/29/83/04/380298304.db2.gz KTJHEZWJZBZOPX-LKFCYVNXSA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000422765267 380298507 /nfs/dbraw/zinc/29/85/07/380298507.db2.gz KTJHEZWJZBZOPX-OTYXRUKQSA-N -1 0 312.322 -0.669 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC(C)(C)O)C1 ZINC000422817098 380298737 /nfs/dbraw/zinc/29/87/37/380298737.db2.gz CFZNZDBLZXKNEY-ZJUUUORDSA-N -1 0 300.355 -0.215 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1=O ZINC000422841830 380299685 /nfs/dbraw/zinc/29/96/85/380299685.db2.gz DRHYFXZVWVQFJM-SNVBAGLBSA-N -1 0 311.338 -1.000 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000422838495 380300539 /nfs/dbraw/zinc/30/05/39/380300539.db2.gz OOTOOGVWJNXLHT-GARJFASQSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)[C@H]1CO ZINC000422832780 380300554 /nfs/dbraw/zinc/30/05/54/380300554.db2.gz FYFJZDRTLQCSNP-WYUUTHIRSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@](C)(O)C2)C1 ZINC000422840892 380300586 /nfs/dbraw/zinc/30/05/86/380300586.db2.gz CHVGAWZHBOVSHU-JRPNMDOOSA-N -1 0 312.366 -0.071 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)C1 ZINC000422861007 380301501 /nfs/dbraw/zinc/30/15/01/380301501.db2.gz ISAISMKJNXNMQQ-PGUXBMHVSA-N -1 0 312.366 -0.071 20 0 DBADRM COCCOC1CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC000422867668 380301746 /nfs/dbraw/zinc/30/17/46/380301746.db2.gz STNILTLXOHGXQR-VIFPVBQESA-N -1 0 302.327 -0.961 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C[C@@H](C)O1 ZINC000422878707 380301865 /nfs/dbraw/zinc/30/18/65/380301865.db2.gz JSKGFAGVVAYRBQ-MXWKQRLJSA-N -1 0 316.354 -0.572 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N(C)CCCC(=O)[O-])C1 ZINC000422880452 380303155 /nfs/dbraw/zinc/30/31/55/380303155.db2.gz LXRZBVLJMYVXBO-AWEZNQCLSA-N -1 0 314.338 -0.279 20 0 DBADRM CCCCN(CCCO)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000422879831 380303315 /nfs/dbraw/zinc/30/33/15/380303315.db2.gz MVBHVGJUKUOQBH-LLVKDONJSA-N -1 0 300.355 -0.069 20 0 DBADRM CCCCN(CCCO)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000422879832 380303891 /nfs/dbraw/zinc/30/38/91/380303891.db2.gz MVBHVGJUKUOQBH-NSHDSACASA-N -1 0 300.355 -0.069 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000422907817 380303956 /nfs/dbraw/zinc/30/39/56/380303956.db2.gz XRUQOKSGQVJYMB-JTQLQIEISA-N -1 0 318.395 -0.364 20 0 DBADRM CCOCCOC1CN(C(=O)C(=O)N(C)CCCC(=O)[O-])C1 ZINC000422912952 380304200 /nfs/dbraw/zinc/30/42/00/380304200.db2.gz OLLPADVHHLMNBM-UHFFFAOYSA-N -1 0 316.354 -0.427 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000422899615 380306015 /nfs/dbraw/zinc/30/60/15/380306015.db2.gz HWLDRNXLBSUMGP-VIFPVBQESA-N -1 0 304.368 -0.754 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000424513417 380395832 /nfs/dbraw/zinc/39/58/32/380395832.db2.gz XGLLAEMTLFKAEE-NSHDSACASA-N -1 0 323.353 -0.235 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424491178 380390552 /nfs/dbraw/zinc/39/05/52/380390552.db2.gz XBBQEGBRTYBQPC-JTQLQIEISA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N(C)C1CC(O)C1)C(=O)[O-] ZINC000424498220 380393737 /nfs/dbraw/zinc/39/37/37/380393737.db2.gz WQXHEANPZIBCSO-WHXUTIOJSA-N -1 0 300.355 -0.169 20 0 DBADRM Cn1cc(N2CCN(C(=O)c3cc(=O)n(C)[n-]3)CC2=O)cn1 ZINC000612025303 380349364 /nfs/dbraw/zinc/34/93/64/380349364.db2.gz BMFMDVPZMYHLLQ-UHFFFAOYSA-N -1 0 304.310 -0.652 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC[C@@H]1C(=O)[O-] ZINC000626757585 380349813 /nfs/dbraw/zinc/34/98/13/380349813.db2.gz XUHXEEZTRALPSS-RCWTZXSCSA-N -1 0 313.354 -0.229 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCCCC(=O)[O-])C1 ZINC000626765950 380350942 /nfs/dbraw/zinc/35/09/42/380350942.db2.gz OSXLLAAZXMKXEJ-SNVBAGLBSA-N -1 0 321.399 -0.178 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)NCCCCC(=O)[O-])CCO1 ZINC000626767129 380352134 /nfs/dbraw/zinc/35/21/34/380352134.db2.gz BQCKALVIZOLJPB-SNVBAGLBSA-N -1 0 316.358 -0.419 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)NCCCCC(=O)[O-])CCO1 ZINC000626767128 380352926 /nfs/dbraw/zinc/35/29/26/380352926.db2.gz BQCKALVIZOLJPB-JTQLQIEISA-N -1 0 316.358 -0.419 20 0 DBADRM CC(C)(CCNC(=O)N1CCO[C@@H](CC(N)=O)C1)C(=O)[O-] ZINC000626768910 380354367 /nfs/dbraw/zinc/35/43/67/380354367.db2.gz RDGHNKUYPPOBAH-VIFPVBQESA-N -1 0 301.343 -0.227 20 0 DBADRM CCC[C@@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)c1nnn[n-]1 ZINC000612060076 380355871 /nfs/dbraw/zinc/35/58/71/380355871.db2.gz HIFCHDGOOQJRES-NXEZZACHSA-N -1 0 309.330 -0.979 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000626770985 380359255 /nfs/dbraw/zinc/35/92/55/380359255.db2.gz FHUJYUXFVKHSMY-MNOVXSKESA-N -1 0 320.353 -0.044 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCn1cccn1)C(=O)[O-] ZINC000424514225 380395535 /nfs/dbraw/zinc/39/55/35/380395535.db2.gz GHIRYEUMFXQSDT-LLVKDONJSA-N -1 0 310.354 -0.138 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCCOCCO)c1 ZINC000424578765 380436224 /nfs/dbraw/zinc/43/62/24/380436224.db2.gz STZOLXMWLSNNPM-FQEVSTJZSA-N -1 0 301.364 -0.072 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)n1 ZINC000612814799 380446549 /nfs/dbraw/zinc/44/65/49/380446549.db2.gz DNPWNGGEJSNNIU-VIFPVBQESA-N -1 0 319.373 -0.110 20 0 DBADRM C[C@@H](CCO)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612439122 380402426 /nfs/dbraw/zinc/40/24/26/380402426.db2.gz FZUGXIWUWSOESH-QMMMGPOBSA-N -1 0 302.352 -0.212 20 0 DBADRM CC(C)[C@H](O)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612424536 380403317 /nfs/dbraw/zinc/40/33/17/380403317.db2.gz AGMQCRQFKVTHTL-LLVKDONJSA-N -1 0 302.352 -0.214 20 0 DBADRM COC[C@H](O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613143880 380494892 /nfs/dbraw/zinc/49/48/92/380494892.db2.gz JWUJVNLENUVLMC-MRVPVSSYSA-N -1 0 318.351 -0.833 20 0 DBADRM CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC000092617603 380460875 /nfs/dbraw/zinc/46/08/75/380460875.db2.gz DKXPUSCEVMNEKW-VIFPVBQESA-N -1 0 303.388 -0.608 20 0 DBADRM O=C(NC[C@]1(O)CCOC1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000612989900 380467995 /nfs/dbraw/zinc/46/79/95/380467995.db2.gz MTCRVBFKQVQGHD-CQSZACIVSA-N -1 0 305.290 -0.089 20 0 DBADRM CC1(C)[C@@H](NS(=O)(=O)CCCN2CCCC2)CS1(=O)=O ZINC000632495525 380548422 /nfs/dbraw/zinc/54/84/22/380548422.db2.gz WQXAQGUKTNDJHL-NSHDSACASA-N -1 0 324.468 -0.033 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2C[C@H](C(N)=O)C2)cn1 ZINC000628772886 380549807 /nfs/dbraw/zinc/54/98/07/380549807.db2.gz HAUCZDNIESWSMO-KYZUINATSA-N -1 0 312.351 -0.553 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)c2s[n-]c(=O)c2Cl)C1 ZINC000628796792 380556193 /nfs/dbraw/zinc/55/61/93/380556193.db2.gz OQQALQBDXXFDIK-UHFFFAOYSA-N -1 0 311.772 -0.124 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000628922046 380576474 /nfs/dbraw/zinc/57/64/74/380576474.db2.gz USMRKIAWVOAKFT-SECBINFHSA-N -1 0 319.321 -0.504 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])cn1 ZINC000629337951 380630229 /nfs/dbraw/zinc/63/02/29/380630229.db2.gz HGOOZZRNPONSSX-GXSJLCMTSA-N -1 0 317.367 -0.032 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000629338747 380632120 /nfs/dbraw/zinc/63/21/20/380632120.db2.gz QGGQFWKDEHMYMX-VHSXEESVSA-N -1 0 317.367 -0.032 20 0 DBADRM O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)c1cn[nH]n1 ZINC000629438959 380645631 /nfs/dbraw/zinc/64/56/31/380645631.db2.gz GZKIKBZZEGYHKR-LBPRGKRZSA-N -1 0 302.338 -0.170 20 0 DBADRM Cc1ncc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)n1C ZINC000629289368 380621988 /nfs/dbraw/zinc/62/19/88/380621988.db2.gz JLODZEFWPHGCHG-UHFFFAOYSA-N -1 0 312.355 -0.399 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)CCc1c(F)cccc1F ZINC000629293095 380622395 /nfs/dbraw/zinc/62/23/95/380622395.db2.gz FXYIYEQIADDQCH-JTQLQIEISA-N -1 0 309.290 -0.128 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)CO1 ZINC000629293662 380622493 /nfs/dbraw/zinc/62/24/93/380622493.db2.gz NNFZVVJXTWOKTC-GUBZILKMSA-N -1 0 307.368 -0.037 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1cccc(O[C@@H]2CC(=O)N2)c1 ZINC000629300069 380623505 /nfs/dbraw/zinc/62/35/05/380623505.db2.gz ARNGWFVAUKPDGN-LLVKDONJSA-N -1 0 323.334 -0.159 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)CO1 ZINC000629294869 380623616 /nfs/dbraw/zinc/62/36/16/380623616.db2.gz DUYLDLLFMDKPLC-SECBINFHSA-N -1 0 318.355 -0.650 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])C1CC1 ZINC000629294670 380623666 /nfs/dbraw/zinc/62/36/66/380623666.db2.gz ZUUFGOAWNSTOMH-ZJUUUORDSA-N -1 0 322.383 -0.560 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N[C@]1(C(=O)[O-])CCOC1)C1CC1 ZINC000629303079 380624014 /nfs/dbraw/zinc/62/40/14/380624014.db2.gz KEJCRUOXGLOOMD-CMPLNLGQSA-N -1 0 307.368 -0.035 20 0 DBADRM C[C@@](CO)(CNS(=O)(=O)[C@H]1COC(C)(C)C1)CC(=O)[O-] ZINC000629300092 380624214 /nfs/dbraw/zinc/62/42/14/380624214.db2.gz BSEBQUDXFBRSOU-SKDRFNHKSA-N -1 0 309.384 -0.053 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cn(C)nc2C)[C@@](C)(C(=O)[O-])C1 ZINC000629308078 380625215 /nfs/dbraw/zinc/62/52/15/380625215.db2.gz ICIMDGYNOIDFQX-JOYOIKCWSA-N -1 0 317.367 -0.019 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2c(C)cnn2C)[C@@](C)(C(=O)[O-])C1 ZINC000629307680 380625332 /nfs/dbraw/zinc/62/53/32/380625332.db2.gz FTCAODLTHAESMU-BXKDBHETSA-N -1 0 317.367 -0.019 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000629314206 380625823 /nfs/dbraw/zinc/62/58/23/380625823.db2.gz RIIUTMGLSWHBMX-CBAPKCEASA-N -1 0 301.324 -0.228 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](CO)CC2CC2)c1 ZINC000613205752 380665764 /nfs/dbraw/zinc/66/57/64/380665764.db2.gz IXKOCPJXWUUWRD-VIFPVBQESA-N -1 0 314.363 -0.070 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CCOC1 ZINC000447185855 380675159 /nfs/dbraw/zinc/67/51/59/380675159.db2.gz ZWYBEFFVMTTYHX-UMNHJUIQSA-N -1 0 322.383 -0.738 20 0 DBADRM C[C@H](CN1CCCC1=O)NS(=O)(=O)[N-]CC(F)(F)F ZINC000195121790 380708537 /nfs/dbraw/zinc/70/85/37/380708537.db2.gz AZRBBMQWIJSDSZ-SSDOTTSWSA-N -1 0 303.306 -0.016 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](C)(O)C2)CC[C@H]1C(=O)[O-] ZINC000629777543 380718227 /nfs/dbraw/zinc/71/82/27/380718227.db2.gz SKHBJFUSTHJHRQ-HFAKWTLXSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)O)CC[C@H]1C(=O)[O-] ZINC000629777069 380718457 /nfs/dbraw/zinc/71/84/57/380718457.db2.gz PCWWWJITYWCYAC-VHSXEESVSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(O)C2)CC[C@H]1C(=O)[O-] ZINC000629777545 380718516 /nfs/dbraw/zinc/71/85/16/380718516.db2.gz SKHBJFUSTHJHRQ-UEKVPHQBSA-N -1 0 312.366 -0.071 20 0 DBADRM NC(=O)c1coc(CNS(=O)(=O)[N-]CC(F)(F)F)c1 ZINC000195462350 380718833 /nfs/dbraw/zinc/71/88/33/380718833.db2.gz IZIPXTKTBFFSQJ-UHFFFAOYSA-N -1 0 301.246 -0.135 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)[N-]CC(F)(F)F)CCN1CCO ZINC000195463169 380719274 /nfs/dbraw/zinc/71/92/74/380719274.db2.gz BBEMVGQRDSVQPQ-MRVPVSSYSA-N -1 0 305.322 -0.619 20 0 DBADRM CCOC[C@H]1CN(C(=O)C(=O)N(C)CCC(=O)[O-])CCO1 ZINC000629782833 380721289 /nfs/dbraw/zinc/72/12/89/380721289.db2.gz IVGUVPFEWLQZAT-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000629890421 380748635 /nfs/dbraw/zinc/74/86/35/380748635.db2.gz KSGMPGJOHYZIBN-SECBINFHSA-N -1 0 316.383 -0.175 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000167003598 380808280 /nfs/dbraw/zinc/80/82/80/380808280.db2.gz WHYRHFFNDWISBJ-UHFFFAOYSA-N -1 0 311.319 -0.001 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)CN2CC(=O)N(C)C2=O)s[n-]1 ZINC000629990366 380812627 /nfs/dbraw/zinc/81/26/27/380812627.db2.gz RJPYKNXIDRJGFN-ZCFIWIBFSA-N -1 0 313.339 -0.500 20 0 DBADRM COCC1(S(=O)(=O)[N-]c2ccn(CC(=O)N(C)C)n2)CC1 ZINC000641683784 380963741 /nfs/dbraw/zinc/96/37/41/380963741.db2.gz VGJFXXKEIKDDOG-UHFFFAOYSA-N -1 0 316.383 -0.108 20 0 DBADRM CN(C(=O)[C@@H]1CC[C@@H]1C(=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000397442019 380993882 /nfs/dbraw/zinc/99/38/82/380993882.db2.gz WLWWHXLGQNUCBZ-AEJSXWLSSA-N -1 0 304.368 -0.411 20 0 DBADRM Cn1ccnc1CN1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000631908399 381006681 /nfs/dbraw/zinc/00/66/81/381006681.db2.gz NJVQFJGNYJVKOU-UHFFFAOYSA-N -1 0 310.383 -0.350 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000214218905 381059925 /nfs/dbraw/zinc/05/99/25/381059925.db2.gz UULJTWMYWZUUBT-SSDOTTSWSA-N -1 0 305.312 -0.977 20 0 DBADRM CCN(CCC(=O)[O-])S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000038023570 284862716 /nfs/dbraw/zinc/86/27/16/284862716.db2.gz LHHHCBMRZZDZQY-UHFFFAOYSA-N -1 0 322.383 -0.087 20 0 DBADRM CNS(=O)(=O)CCNC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000231017613 381103950 /nfs/dbraw/zinc/10/39/50/381103950.db2.gz XRVIJMAIKCDRNG-VIFPVBQESA-N -1 0 309.388 -0.418 20 0 DBADRM NC(=O)COCCNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000230956423 381104753 /nfs/dbraw/zinc/10/47/53/381104753.db2.gz FSIFIQUPSRNBHD-UHFFFAOYSA-N -1 0 302.308 -0.835 20 0 DBADRM COC(=O)[C@H](O)C[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000226551689 381077911 /nfs/dbraw/zinc/07/79/11/381077911.db2.gz UJLASUOXTUMELQ-MRVPVSSYSA-N -1 0 313.253 -0.084 20 0 DBADRM CS(=O)(=O)C[C@@H](C(=O)NCc1nnn[n-]1)c1ccccc1 ZINC000613537016 381139118 /nfs/dbraw/zinc/13/91/18/381139118.db2.gz DJOUUMAFCLCMKG-SNVBAGLBSA-N -1 0 309.351 -0.356 20 0 DBADRM O=C(N[C@@]1(CO)CCOC1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000613490297 381133356 /nfs/dbraw/zinc/13/33/56/381133356.db2.gz ZMCWYDKXOIVPCV-CQSZACIVSA-N -1 0 305.290 -0.089 20 0 DBADRM O=C(N[C@]1(CO)CCOC1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000613490296 381134560 /nfs/dbraw/zinc/13/45/60/381134560.db2.gz ZMCWYDKXOIVPCV-AWEZNQCLSA-N -1 0 305.290 -0.089 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2CC[C@H](O)C2)c1 ZINC000613886065 381203582 /nfs/dbraw/zinc/20/35/82/381203582.db2.gz AXZXCYHVUMUZEB-IUCAKERBSA-N -1 0 314.363 -0.070 20 0 DBADRM CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(=O)[nH]cn3)CC2)C1=O ZINC000627232776 381209527 /nfs/dbraw/zinc/20/95/27/381209527.db2.gz KMNQXJYRMPFECZ-LBPRGKRZSA-N -1 0 319.365 -0.393 20 0 DBADRM CCN(CC(=O)N(C)C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000614457670 381256201 /nfs/dbraw/zinc/25/62/01/381256201.db2.gz ALBOGTWXSZFDKG-UHFFFAOYSA-N -1 0 319.321 -0.014 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)C(=O)[O-] ZINC000614337895 381246582 /nfs/dbraw/zinc/24/65/82/381246582.db2.gz GNNHDULZXYGENC-UWVGGRQHSA-N -1 0 323.367 -0.119 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000530141504 381292449 /nfs/dbraw/zinc/29/24/49/381292449.db2.gz YBJWDAMCTYQKNV-WDEREUQCSA-N -1 0 320.411 -0.026 20 0 DBADRM Cc1cc(CNS(=O)(=O)c2c(C(=O)[O-])cnn2C)on1 ZINC000530148845 381293882 /nfs/dbraw/zinc/29/38/82/381293882.db2.gz KIBJGXLAHISMEO-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)CCCO1 ZINC000530148370 381293924 /nfs/dbraw/zinc/29/39/24/381293924.db2.gz DFZGZTVIRWISHB-QMMMGPOBSA-N -1 0 303.340 -0.082 20 0 DBADRM Cc1cc(CS(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)no1 ZINC000530151695 381293943 /nfs/dbraw/zinc/29/39/43/381293943.db2.gz OLSCKHBEURFKMO-SCZZXKLOSA-N -1 0 304.324 -0.013 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCOC(C)(C)C2)C1 ZINC000530150482 381293973 /nfs/dbraw/zinc/29/39/73/381293973.db2.gz GEQAUDBBHCRMKU-GFCCVEGCSA-N -1 0 322.383 -0.483 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@@H](C(=O)[O-])O1 ZINC000530152446 381294040 /nfs/dbraw/zinc/29/40/40/381294040.db2.gz RXMCDDQIKIBABU-MMWGEVLESA-N -1 0 322.383 -0.486 20 0 DBADRM CO[C@H](CS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C1CC1 ZINC000530149348 381294052 /nfs/dbraw/zinc/29/40/52/381294052.db2.gz GQKOAOCZBSRCJB-DVVUODLYSA-N -1 0 307.368 -0.085 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(C)cnn2C)C1 ZINC000530149376 381294056 /nfs/dbraw/zinc/29/40/56/381294056.db2.gz BLUCDYDLBIYOCI-NSHDSACASA-N -1 0 303.340 -0.407 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)[C@@H](C)CO1 ZINC000530148540 381294438 /nfs/dbraw/zinc/29/44/38/381294438.db2.gz GPBVIIWTGZUEFN-JGVFFNPUSA-N -1 0 303.340 -0.084 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000530149445 381294447 /nfs/dbraw/zinc/29/44/47/381294447.db2.gz HZUCVOVSOCMLNA-JBLDHEPKSA-N -1 0 322.383 -0.484 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnc3n2CCC3)C[C@@H](C(=O)[O-])O1 ZINC000530148868 381294645 /nfs/dbraw/zinc/29/46/45/381294645.db2.gz AYDKFHIZLJQATF-BDAKNGLRSA-N -1 0 315.351 -0.308 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CCOCC2CC2)C[C@@H](C(=O)[O-])O1 ZINC000530152052 381294700 /nfs/dbraw/zinc/29/47/00/381294700.db2.gz VYWAUGDBVZZTEQ-KOLCDFICSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000530152447 381294793 /nfs/dbraw/zinc/29/47/93/381294793.db2.gz RXMCDDQIKIBABU-YTWAJWBKSA-N -1 0 322.383 -0.486 20 0 DBADRM CCn1nccc1S(=O)(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC000530152684 381295679 /nfs/dbraw/zinc/29/56/79/381295679.db2.gz MEARQYWVOIWKJK-NSHDSACASA-N -1 0 303.340 -0.233 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cn(C)nc2C)C1 ZINC000530152895 381295831 /nfs/dbraw/zinc/29/58/31/381295831.db2.gz NNQKXLGASYGEFV-NSHDSACASA-N -1 0 303.340 -0.407 20 0 DBADRM Cc1c(CNS(=O)(=O)c2c(C(=O)[O-])cnn2C)cnn1C ZINC000530154819 381295844 /nfs/dbraw/zinc/29/58/44/381295844.db2.gz PHIBTEMVDHGDKV-UHFFFAOYSA-N -1 0 313.339 -0.361 20 0 DBADRM CCOC[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCO1 ZINC000530153895 381296004 /nfs/dbraw/zinc/29/60/04/381296004.db2.gz ZJXDFXSCYHQVLQ-MNOVXSKESA-N -1 0 322.383 -0.483 20 0 DBADRM CCn1cnc(S(=O)(=O)N2CC[C@@](OC)(C(=O)[O-])C2)c1 ZINC000530154973 381296073 /nfs/dbraw/zinc/29/60/73/381296073.db2.gz ZBMUVCCDINYAHJ-NSHDSACASA-N -1 0 303.340 -0.233 20 0 DBADRM CCn1ncc(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])n1 ZINC000530153529 381296312 /nfs/dbraw/zinc/29/63/12/381296312.db2.gz WGZBCUATZLUYDI-UHFFFAOYSA-N -1 0 300.300 -0.802 20 0 DBADRM C[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)C[C@@H](C(=O)[O-])O1 ZINC000530177960 381296338 /nfs/dbraw/zinc/29/63/38/381296338.db2.gz UGSXZVRTIXLYOC-RQJHMYQMSA-N -1 0 323.309 -0.949 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)c1cncc(C(=O)[O-])c1 ZINC000630108581 381323217 /nfs/dbraw/zinc/32/32/17/381323217.db2.gz ZMFJMARRMAKLDL-UHFFFAOYSA-N -1 0 307.306 -0.289 20 0 DBADRM O=C(CNC(=O)c1cccnc1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000538223540 381325181 /nfs/dbraw/zinc/32/51/81/381325181.db2.gz RCGCUPAVGALDIK-LLVKDONJSA-N -1 0 315.337 -0.269 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC000630118347 381325404 /nfs/dbraw/zinc/32/54/04/381325404.db2.gz HTWOKXZQRPLEMP-BDAKNGLRSA-N -1 0 317.367 -0.139 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)CC1=O ZINC000630123649 381326429 /nfs/dbraw/zinc/32/64/29/381326429.db2.gz PPZOSTQMAWLOKS-PEAMCHOPSA-N -1 0 310.350 -0.010 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)NC2(C(=O)[O-])CC2)s1 ZINC000538466304 381328742 /nfs/dbraw/zinc/32/87/42/381328742.db2.gz IDTXTNXSAGGBML-UHFFFAOYSA-N -1 0 304.349 -0.329 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)o1 ZINC000530382344 381307602 /nfs/dbraw/zinc/30/76/02/381307602.db2.gz OPFVNLCLGHBABK-SSDOTTSWSA-N -1 0 321.307 -0.166 20 0 DBADRM C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)N2CCOC(C)(C)C2)C1 ZINC000530424632 381308558 /nfs/dbraw/zinc/30/85/58/381308558.db2.gz XBKOXXLRICFZPJ-SECBINFHSA-N -1 0 306.384 -0.006 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000627265081 381347271 /nfs/dbraw/zinc/34/72/71/381347271.db2.gz DGDPCFRQBDPXPB-GZMMTYOYSA-N -1 0 308.338 -0.096 20 0 DBADRM Cc1oc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1S(C)(=O)=O ZINC000630146524 381347672 /nfs/dbraw/zinc/34/76/72/381347672.db2.gz AWMVAWPVGLYZEW-LBPRGKRZSA-N -1 0 317.319 -0.035 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000627265796 381348739 /nfs/dbraw/zinc/34/87/39/381348739.db2.gz NZZAGZBUUSZYTR-IJLUTSLNSA-N -1 0 322.365 -0.043 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC000627265564 381348883 /nfs/dbraw/zinc/34/88/83/381348883.db2.gz KIJSHSTZSIIDAP-CABZTGNLSA-N -1 0 320.349 -0.030 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCCN(C)S(C)(=O)=O)O[C@H]1C(=O)[O-] ZINC000630149927 381350085 /nfs/dbraw/zinc/35/00/85/381350085.db2.gz QFVNZYAVZRYZJS-OPRDCNLKSA-N -1 0 322.383 -0.738 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)c1 ZINC000630165025 381351467 /nfs/dbraw/zinc/35/14/67/381351467.db2.gz MZFLJVSBRNEGRM-QWRGUYRKSA-N -1 0 306.322 -0.149 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCC(=O)NCC(F)(F)F ZINC000630164197 381351912 /nfs/dbraw/zinc/35/19/12/381351912.db2.gz DCLOOIWCZKQPQZ-UHFFFAOYSA-N -1 0 308.216 -0.473 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCOC3(CCOCC3)C2)c1 ZINC000630183091 381357445 /nfs/dbraw/zinc/35/74/45/381357445.db2.gz IXMZMXDELCCZON-UHFFFAOYSA-N -1 0 309.322 -0.011 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C(=O)[O-])C2)s1 ZINC000539676701 381359138 /nfs/dbraw/zinc/35/91/38/381359138.db2.gz HYBQMUBQMQGWCZ-SSDOTTSWSA-N -1 0 318.376 -0.129 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000630196685 381361061 /nfs/dbraw/zinc/36/10/61/381361061.db2.gz HPLHQGNERFKNJG-NEPJUHHUSA-N -1 0 309.322 -0.012 20 0 DBADRM CN(CC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-])S(C)(=O)=O ZINC000630275568 381378882 /nfs/dbraw/zinc/37/88/82/381378882.db2.gz OLZBLFZGSMEIPH-VHSXEESVSA-N -1 0 322.383 -0.736 20 0 DBADRM C[C@@](CCF)(NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000630208900 381364958 /nfs/dbraw/zinc/36/49/58/381364958.db2.gz MOTKGDWSPBQTFH-CABZTGNLSA-N -1 0 324.374 -0.023 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)c2cc(C(=O)[O-])nn2C)CC1 ZINC000630212233 381365286 /nfs/dbraw/zinc/36/52/86/381365286.db2.gz XQSUELQUVOEUDN-UHFFFAOYSA-N -1 0 315.351 -0.185 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000630213797 381365301 /nfs/dbraw/zinc/36/53/01/381365301.db2.gz BLIUAPXTXFPVTB-JTQLQIEISA-N -1 0 319.321 -0.027 20 0 DBADRM C[C@@H](C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)S(C)(=O)=O ZINC000630222714 381366043 /nfs/dbraw/zinc/36/60/43/381366043.db2.gz AFCHDANULFLNBB-VIFPVBQESA-N -1 0 306.384 -0.573 20 0 DBADRM C[C@H](C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)S(C)(=O)=O ZINC000630222712 381367377 /nfs/dbraw/zinc/36/73/77/381367377.db2.gz AFCHDANULFLNBB-SECBINFHSA-N -1 0 306.384 -0.573 20 0 DBADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCN(c3nccnn3)CC2)O1 ZINC000630231222 381368626 /nfs/dbraw/zinc/36/86/26/381368626.db2.gz VDCPUHJIKCWAHR-NXEZZACHSA-N -1 0 307.310 -0.848 20 0 DBADRM C[C@H](C(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-])S(C)(=O)=O ZINC000630278198 381379440 /nfs/dbraw/zinc/37/94/40/381379440.db2.gz SYYKBTFUPGGLAN-KXUCPTDWSA-N -1 0 307.368 -0.194 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CCN2CCCS2(=O)=O)C1 ZINC000630251093 381375259 /nfs/dbraw/zinc/37/52/59/381375259.db2.gz CQZVHAQBGLJGQQ-GFCCVEGCSA-N -1 0 320.367 -0.886 20 0 DBADRM O=C([O-])COCCNC(=O)CNC(=O)COc1ccccc1 ZINC000630261644 381377004 /nfs/dbraw/zinc/37/70/04/381377004.db2.gz ALXCAJCDWNHEFX-UHFFFAOYSA-N -1 0 310.306 -0.601 20 0 DBADRM Cc1oc(C(=O)NCCOCC(=O)[O-])cc1S(N)(=O)=O ZINC000630261650 381377300 /nfs/dbraw/zinc/37/73/00/381377300.db2.gz AULZZKVFRAZSBH-UHFFFAOYSA-N -1 0 306.296 -0.934 20 0 DBADRM O=C([O-])COCCNC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000630262394 381377484 /nfs/dbraw/zinc/37/74/84/381377484.db2.gz LCSSUVDNUZRJSC-UHFFFAOYSA-N -1 0 312.297 -0.298 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCCOCC(=O)[O-] ZINC000630263584 381377570 /nfs/dbraw/zinc/37/75/70/381377570.db2.gz ZHYGXURJKQYPRE-SECBINFHSA-N -1 0 310.372 -0.832 20 0 DBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)NCCOCC(=O)[O-] ZINC000630262994 381377598 /nfs/dbraw/zinc/37/75/98/381377598.db2.gz SSFBLBRCRRNXIE-JTQLQIEISA-N -1 0 301.343 -0.214 20 0 DBADRM O=C([O-])COCCNC(=O)CN1C(=O)COc2ccccc21 ZINC000630261940 381377716 /nfs/dbraw/zinc/37/77/16/381377716.db2.gz FCVUWVHZUGRDJD-UHFFFAOYSA-N -1 0 308.290 -0.371 20 0 DBADRM COc1cccc(C(=O)NCC(=O)NCCOCC(=O)[O-])c1 ZINC000630261904 381377830 /nfs/dbraw/zinc/37/78/30/381377830.db2.gz GUYHEQQFBDNBTC-UHFFFAOYSA-N -1 0 310.306 -0.358 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1=O ZINC000630443270 381417120 /nfs/dbraw/zinc/41/71/20/381417120.db2.gz UAQVFTWRAYDJTB-UWVGGRQHSA-N -1 0 304.368 -0.266 20 0 DBADRM COCCN(CCOC)C(=O)N[C@H](C(=O)[O-])[C@@H]1CCCO1 ZINC000630421821 381409640 /nfs/dbraw/zinc/40/96/40/381409640.db2.gz IJQCUPNMVKIAGK-QWRGUYRKSA-N -1 0 304.343 -0.077 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000543749374 381414912 /nfs/dbraw/zinc/41/49/12/381414912.db2.gz IPZSHWGRTODRID-UHFFFAOYSA-N -1 0 302.338 -0.538 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000630269968 381379917 /nfs/dbraw/zinc/37/99/17/381379917.db2.gz FRSWJEIHOKEAEL-NXEZZACHSA-N -1 0 307.368 -0.193 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000627267332 381381013 /nfs/dbraw/zinc/38/10/13/381381013.db2.gz MRCYDEMZJDMJPK-OUAUKWLOSA-N -1 0 300.355 -0.046 20 0 DBADRM COCCO[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000630291758 381381530 /nfs/dbraw/zinc/38/15/30/381381530.db2.gz YWOALWXJICSFQF-SNVBAGLBSA-N -1 0 312.326 -0.370 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C[C@@]1(C)C(=O)[O-] ZINC000630306945 381384351 /nfs/dbraw/zinc/38/43/51/381384351.db2.gz RJZGQGYXRMFAJN-GIPNMCIBSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@H](CN(C)C(=O)CCC(=O)N1CCOCC1)c1nnn[n-]1 ZINC000541840547 381386277 /nfs/dbraw/zinc/38/62/77/381386277.db2.gz LPNVWRVSZCSENL-SNVBAGLBSA-N -1 0 310.358 -0.599 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1=O ZINC000630444183 381416166 /nfs/dbraw/zinc/41/61/66/381416166.db2.gz CBVMFAMFNXFAEX-MXWKQRLJSA-N -1 0 318.395 -0.020 20 0 DBADRM Cn1nnc2c1nccc2C(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000630340886 381389739 /nfs/dbraw/zinc/38/97/39/381389739.db2.gz JLPDVSTVSPSABV-CQSZACIVSA-N -1 0 319.321 -0.026 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)[C@H]2CCCCS2(=O)=O)CCCOC1 ZINC000630337424 381389790 /nfs/dbraw/zinc/38/97/90/381389790.db2.gz JLDOWTHGKZOXJC-MFKMUULPSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)c2nc3ncccn3n2)CCCOC1 ZINC000630337676 381389984 /nfs/dbraw/zinc/38/99/84/381389984.db2.gz ARRAMZIQESYATK-CYBMUJFWSA-N -1 0 305.294 -0.265 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC000630341299 381390258 /nfs/dbraw/zinc/39/02/58/381390258.db2.gz RMBAJKLGRWPXPG-LBPRGKRZSA-N -1 0 322.383 -0.688 20 0 DBADRM CN1CC[C@@H](C(=O)N2C3CCC2(C(=O)[O-])CC3)S1(=O)=O ZINC000630320932 381390292 /nfs/dbraw/zinc/39/02/92/381390292.db2.gz AWOYTYUXHWFJOE-XEVUQIKYSA-N -1 0 302.352 -0.372 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cncc(OC)c1 ZINC000543770394 381416252 /nfs/dbraw/zinc/41/62/52/381416252.db2.gz CZUYOGZCSSNFEJ-SNVBAGLBSA-N -1 0 304.324 -0.190 20 0 DBADRM CC(C)N(CC(=O)[O-])S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000630441871 381416463 /nfs/dbraw/zinc/41/64/63/381416463.db2.gz CHLWSQNASIPLBB-JTQLQIEISA-N -1 0 304.368 -0.126 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CCOC(C)(C)C2)C1 ZINC000542865531 381402383 /nfs/dbraw/zinc/40/23/83/381402383.db2.gz KGBNOJKEKQUPNW-ZJUUUORDSA-N -1 0 322.383 -0.484 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)Cn2cnc3c2CCCC3)n[n-]1 ZINC000544593295 381423673 /nfs/dbraw/zinc/42/36/73/381423673.db2.gz CFLRAPWEQIAHJX-UHFFFAOYSA-N -1 0 324.366 -0.078 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000627269105 381445240 /nfs/dbraw/zinc/44/52/40/381445240.db2.gz MYZNRQKOQUDVML-ZYHUDNBSSA-N -1 0 322.365 -0.123 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000627269604 381446331 /nfs/dbraw/zinc/44/63/31/381446331.db2.gz VAKHMLSIILGPEI-GMTAPVOTSA-N -1 0 323.353 -0.648 20 0 DBADRM C[C@@](O)(CNC(=O)C[C@@H](NC(N)=O)c1ccccc1)C(=O)[O-] ZINC000546024412 381449342 /nfs/dbraw/zinc/44/93/42/381449342.db2.gz LCHNUIUCFQCBJJ-QMTHXVAHSA-N -1 0 309.322 -0.262 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)CC(=O)[O-] ZINC000232107757 381419282 /nfs/dbraw/zinc/41/92/82/381419282.db2.gz GXEDSWBTOZRORG-VIFPVBQESA-N -1 0 316.335 -0.447 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)CC(=O)[O-] ZINC000232107755 381419411 /nfs/dbraw/zinc/41/94/11/381419411.db2.gz GXEDSWBTOZRORG-SECBINFHSA-N -1 0 316.335 -0.447 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N(CC(=O)[O-])CC2CC2)CC1=O ZINC000630445254 381419577 /nfs/dbraw/zinc/41/95/77/381419577.db2.gz GSLDVIYPCMHGLT-SNVBAGLBSA-N -1 0 304.368 -0.266 20 0 DBADRM COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000547550488 381485063 /nfs/dbraw/zinc/48/50/63/381485063.db2.gz JRKYEYGDJZBUSF-JTQLQIEISA-N -1 0 317.319 -0.874 20 0 DBADRM COC(=O)CCCS(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000547557234 381485436 /nfs/dbraw/zinc/48/54/36/381485436.db2.gz JDCZDTZZDABRRU-UWVGGRQHSA-N -1 0 323.367 -0.261 20 0 DBADRM Cc1cccc(CS(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000547547812 381484504 /nfs/dbraw/zinc/48/45/04/381484504.db2.gz AJNKBXKQTVEYCH-UHFFFAOYSA-N -1 0 300.336 -0.385 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000547545892 381484711 /nfs/dbraw/zinc/48/47/11/381484711.db2.gz VZSDWGSWQJAEIQ-APPZFPTMSA-N -1 0 319.339 -0.866 20 0 DBADRM N#Cc1ccc(F)c(CS(=O)(=O)N[C@H](CCO)C(=O)[O-])c1 ZINC000547544368 381484763 /nfs/dbraw/zinc/48/47/63/381484763.db2.gz VPMOUSQZYVMBTK-LLVKDONJSA-N -1 0 316.310 -0.048 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-] ZINC000547548774 381484800 /nfs/dbraw/zinc/48/48/00/381484800.db2.gz SQMWDXBZVVNLOH-QMMMGPOBSA-N -1 0 303.340 -0.260 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547548156 381484911 /nfs/dbraw/zinc/48/49/11/381484911.db2.gz FDAPUVBASRQITG-HLTSFMKQSA-N -1 0 309.340 -0.795 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000547925187 381503534 /nfs/dbraw/zinc/50/35/34/381503534.db2.gz ROJWKDUZUBUDRQ-CIUDSAMLSA-N -1 0 308.356 -0.998 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000547921617 381504360 /nfs/dbraw/zinc/50/43/60/381504360.db2.gz QBLYZQQXFXMXLT-UWVGGRQHSA-N -1 0 321.399 -0.531 20 0 DBADRM C[C@H](CCNS(=O)(=O)CCCS(C)(=O)=O)CC(=O)[O-] ZINC000547912913 381504672 /nfs/dbraw/zinc/50/46/72/381504672.db2.gz FZROESHAYUDLOA-SECBINFHSA-N -1 0 315.413 -0.159 20 0 DBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)CCC(=O)[O-] ZINC000547932074 381504695 /nfs/dbraw/zinc/50/46/95/381504695.db2.gz VJZHOMMHIAJUCM-QMMMGPOBSA-N -1 0 316.401 -0.902 20 0 DBADRM CN1CC[C@@H](NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1=O ZINC000548113997 381515296 /nfs/dbraw/zinc/51/52/96/381515296.db2.gz HOEOIGXZTDQROC-SNVBAGLBSA-N -1 0 302.290 -0.010 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000548198421 381516686 /nfs/dbraw/zinc/51/66/86/381516686.db2.gz QJSHHEFPTNIGBE-PSASIEDQSA-N -1 0 305.356 -0.250 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000548200046 381518256 /nfs/dbraw/zinc/51/82/56/381518256.db2.gz XUHQVMVCFOADAU-SECBINFHSA-N -1 0 322.364 -0.525 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1cn(C(C)C)cn1)C(=O)[O-] ZINC000548204868 381519028 /nfs/dbraw/zinc/51/90/28/381519028.db2.gz SQYVNTJVQGGXLU-QMMMGPOBSA-N -1 0 319.339 -0.241 20 0 DBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cnc2n1CCC2 ZINC000548251459 381521179 /nfs/dbraw/zinc/52/11/79/381521179.db2.gz SUQANEJCSNTYRD-SECBINFHSA-N -1 0 317.367 -0.061 20 0 DBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000547584180 381486624 /nfs/dbraw/zinc/48/66/24/381486624.db2.gz CWPDESGMOCELCB-HBNTYKKESA-N -1 0 324.399 -0.502 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000547568921 381486733 /nfs/dbraw/zinc/48/67/33/381486733.db2.gz NKWZCBKITDINIG-LURJTMIESA-N -1 0 319.726 -0.060 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-] ZINC000547616716 381488032 /nfs/dbraw/zinc/48/80/32/381488032.db2.gz AUTMLNRLPZUADA-GHMZBOCLSA-N -1 0 313.335 -0.154 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)o1 ZINC000548208063 381519565 /nfs/dbraw/zinc/51/95/65/381519565.db2.gz QQQRIXXEVKZXPC-MUWHJKNJSA-N -1 0 321.307 -0.431 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000547608573 381488572 /nfs/dbraw/zinc/48/85/72/381488572.db2.gz DXPDSEZTTPAJHX-LDYMZIIASA-N -1 0 317.367 -0.278 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)CCC(=O)OCC)C(=O)[O-] ZINC000547608623 381488640 /nfs/dbraw/zinc/48/86/40/381488640.db2.gz HIBJYYVKNHQSDW-WCBMZHEXSA-N -1 0 311.356 -0.527 20 0 DBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)C[C@H]1CCCO1 ZINC000547607497 381488698 /nfs/dbraw/zinc/48/86/98/381488698.db2.gz ZKRHJFNOOWPRPI-IDHHQXPSSA-N -1 0 311.381 -0.987 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)NCCOCC(=O)[O-])c1 ZINC000547614311 381488745 /nfs/dbraw/zinc/48/87/45/381488745.db2.gz SQUBZGZJKLZICW-UHFFFAOYSA-N -1 0 305.356 -0.081 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548202566 381519636 /nfs/dbraw/zinc/51/96/36/381519636.db2.gz FOCVURAVRZVXSF-WDEREUQCSA-N -1 0 319.383 -0.011 20 0 DBADRM CN1CCc2ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc21 ZINC000547875908 381500491 /nfs/dbraw/zinc/50/04/91/381500491.db2.gz UGQSSLAGDGCBLL-JTQLQIEISA-N -1 0 300.336 -0.597 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cc(Cl)cnc1N)C(=O)[O-] ZINC000547895582 381501832 /nfs/dbraw/zinc/50/18/32/381501832.db2.gz HDOOSLZCGXUIOR-LURJTMIESA-N -1 0 309.731 -0.305 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000547891724 381501969 /nfs/dbraw/zinc/50/19/69/381501969.db2.gz ITVBDILZPMPACT-QMMMGPOBSA-N -1 0 317.323 -0.272 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000547901306 381502018 /nfs/dbraw/zinc/50/20/18/381502018.db2.gz UMSXITRGZFDUSV-LLVKDONJSA-N -1 0 318.399 -0.162 20 0 DBADRM CS(=O)(=O)N[C@@H](Cc1cn(-c2ccccc2)nn1)C(=O)[O-] ZINC000548541130 381537530 /nfs/dbraw/zinc/53/75/30/381537530.db2.gz WYPDOFROQZPMOF-NSHDSACASA-N -1 0 310.335 -0.188 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-] ZINC000548540396 381538041 /nfs/dbraw/zinc/53/80/41/381538041.db2.gz MDOABMPKHOPFFX-SECBINFHSA-N -1 0 302.308 -0.837 20 0 DBADRM CCCCN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000548580337 381539891 /nfs/dbraw/zinc/53/98/91/381539891.db2.gz UTPMWOJQKDUHLQ-UWVGGRQHSA-N -1 0 321.399 -0.386 20 0 DBADRM C[C@@H]1CCCCN1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000548584668 381540859 /nfs/dbraw/zinc/54/08/59/381540859.db2.gz BJFDTGJAQGDWFJ-HQVAUKCESA-N -1 0 324.424 -0.377 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000548587136 381541025 /nfs/dbraw/zinc/54/10/25/381541025.db2.gz VCHXQGKFQFLGFQ-DYBLOJMWSA-N -1 0 312.413 -0.664 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000548592840 381541043 /nfs/dbraw/zinc/54/10/43/381541043.db2.gz UAXKZRXWMAZELR-SCZZXKLOSA-N -1 0 305.356 -0.379 20 0 DBADRM COCCN(CCOC)S(=O)(=O)NC[C@@H](C)CC(=O)[O-] ZINC000548595049 381541183 /nfs/dbraw/zinc/54/11/83/381541183.db2.gz MLQZEFYURGHRGD-JTQLQIEISA-N -1 0 312.388 -0.474 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000548587139 381541710 /nfs/dbraw/zinc/54/17/10/381541710.db2.gz VCHXQGKFQFLGFQ-YYSFKGJASA-N -1 0 312.413 -0.664 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])C1 ZINC000548586606 381541729 /nfs/dbraw/zinc/54/17/29/381541729.db2.gz XIQAFLXUGVDFKR-QVMDTKBZSA-N -1 0 324.424 -0.519 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000548585906 381541769 /nfs/dbraw/zinc/54/17/69/381541769.db2.gz URFKXUUTMFZUBZ-LZVRBXCZSA-N -1 0 310.397 -0.910 20 0 DBADRM O=C([O-])[C@@H](Cc1ccco1)NS(=O)(=O)N1CCOCC1 ZINC000548588780 381541829 /nfs/dbraw/zinc/54/18/29/381541829.db2.gz WFRZVQAFLFFKDY-SNVBAGLBSA-N -1 0 304.324 -0.558 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])C[C@@H](C)O1 ZINC000548683920 381545114 /nfs/dbraw/zinc/54/51/14/381545114.db2.gz RWMHPSZAXYRARW-FOGDFJRCSA-N -1 0 324.399 -0.597 20 0 DBADRM C[C@H](CN(C)C(=O)[C@](C)(O)Cn1ccccc1=O)c1nnn[n-]1 ZINC000548720313 381546344 /nfs/dbraw/zinc/54/63/44/381546344.db2.gz IRQPQOWYIXGMQI-QMTHXVAHSA-N -1 0 320.353 -0.626 20 0 DBADRM C[C@@](CO)(CNS(=O)(=O)c1cnc2n1CCC2)CC(=O)[O-] ZINC000548683763 381546677 /nfs/dbraw/zinc/54/66/77/381546677.db2.gz APJUFDNLNZOHNY-LBPRGKRZSA-N -1 0 317.367 -0.419 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000548770803 381550167 /nfs/dbraw/zinc/55/01/67/381550167.db2.gz COXCUMXVQMILAZ-LLVKDONJSA-N -1 0 301.324 -0.506 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])CCO1 ZINC000548235855 381521311 /nfs/dbraw/zinc/52/13/11/381521311.db2.gz QNYLPCQAMRFVQT-MRVPVSSYSA-N -1 0 310.397 -0.199 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000548256696 381521709 /nfs/dbraw/zinc/52/17/09/381521709.db2.gz DZNDWTFKMIVXEX-IDHHQXPSSA-N -1 0 310.397 -0.767 20 0 DBADRM CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000136247959 381525686 /nfs/dbraw/zinc/52/56/86/381525686.db2.gz PVKYGCWXQCMJFE-SECBINFHSA-N -1 0 317.367 -0.098 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cn1 ZINC000548837313 381551939 /nfs/dbraw/zinc/55/19/39/381551939.db2.gz WEMIQIOYJBCWNL-LLVKDONJSA-N -1 0 303.340 -0.014 20 0 DBADRM CCn1cnc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])c1 ZINC000548356234 381529336 /nfs/dbraw/zinc/52/93/36/381529336.db2.gz VEINGZVHEVLSMJ-LLVKDONJSA-N -1 0 305.356 -0.345 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC(=O)NC(C)C ZINC000136426441 381530893 /nfs/dbraw/zinc/53/08/93/381530893.db2.gz IDGGLZURANHCBD-UHFFFAOYSA-N -1 0 321.380 -0.267 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000548527583 381535392 /nfs/dbraw/zinc/53/53/92/381535392.db2.gz NUVWKQDCRDQJCG-ZETCQYMHSA-N -1 0 322.364 -0.667 20 0 DBADRM COCCN(C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)[O-] ZINC000551238997 381577837 /nfs/dbraw/zinc/57/78/37/381577837.db2.gz XRHWTQXPCAAAAF-VHSXEESVSA-N -1 0 322.383 -0.353 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CCCS(C)(=O)=O ZINC000548867787 381553638 /nfs/dbraw/zinc/55/36/38/381553638.db2.gz WAZXCKGRNSIYPX-RKDXNWHRSA-N -1 0 313.397 -0.454 20 0 DBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)c1cccc2c1OCO2 ZINC000548876061 381554754 /nfs/dbraw/zinc/55/47/54/381554754.db2.gz LSGNVOQUGGHRCH-ZETCQYMHSA-N -1 0 303.292 -0.471 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)[C@@H]2CN3CCN2CCC3)s[n-]1 ZINC000549373082 381562046 /nfs/dbraw/zinc/56/20/46/381562046.db2.gz VHMAWXUFCUOVOW-ZJUUUORDSA-N -1 0 311.411 -0.004 20 0 DBADRM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000081902752 381569090 /nfs/dbraw/zinc/56/90/90/381569090.db2.gz AYBYNXOEXQFBDK-SSDOTTSWSA-N -1 0 324.380 -0.565 20 0 DBADRM C[C@H](O)CN1CCN(S(=O)(=O)[N-]CC(F)(F)F)[C@@H](C)C1 ZINC000249529806 381602390 /nfs/dbraw/zinc/60/23/90/381602390.db2.gz JIAVPGMAOKWULT-IUCAKERBSA-N -1 0 319.349 -0.230 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](CC)C(=O)[O-])C1 ZINC000089069157 381605117 /nfs/dbraw/zinc/60/51/17/381605117.db2.gz GRBZGRXJGPVSLK-NXEZZACHSA-N -1 0 322.383 -0.041 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000551786665 381588051 /nfs/dbraw/zinc/58/80/51/381588051.db2.gz BMWNSPSCJZNFHG-LLVKDONJSA-N -1 0 323.401 -0.638 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H](C)CC(=O)[O-])C1 ZINC000252431958 381613668 /nfs/dbraw/zinc/61/36/68/381613668.db2.gz SVSZXECNKJUBLJ-ZJUUUORDSA-N -1 0 322.383 -0.041 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-] ZINC000252860751 381616139 /nfs/dbraw/zinc/61/61/39/381616139.db2.gz NCUCARZJQYGVLC-AEJSXWLSSA-N -1 0 322.383 -0.043 20 0 DBADRM CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000627276514 381619254 /nfs/dbraw/zinc/61/92/54/381619254.db2.gz HNJOFFQDFJTSHX-NSHDSACASA-N -1 0 313.354 -0.515 20 0 DBADRM C[C@@]1(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCCO1 ZINC000153080287 381627667 /nfs/dbraw/zinc/62/76/67/381627667.db2.gz SGEMVXIMUVPLMW-AWEZNQCLSA-N -1 0 304.306 -0.090 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC000262762113 381631263 /nfs/dbraw/zinc/63/12/63/381631263.db2.gz ZYTOQLHFEOHYCR-ZJUUUORDSA-N -1 0 304.306 -0.135 20 0 DBADRM CCCN(C)C(=O)[C@@H]1CSCN1C(=O)CCc1nnn[n-]1 ZINC000630873502 381633467 /nfs/dbraw/zinc/63/34/67/381633467.db2.gz QSHHLRSUWHGOAP-VIFPVBQESA-N -1 0 312.399 -0.098 20 0 DBADRM CCOC(=O)C(NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)C(=O)OCC ZINC000566301992 381649111 /nfs/dbraw/zinc/64/91/11/381649111.db2.gz XGBVHQLFOOYDDF-JGVFFNPUSA-N -1 0 315.322 -0.046 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000566677750 381667969 /nfs/dbraw/zinc/66/79/69/381667969.db2.gz DHFFMBIDEZQINH-DTWKUNHWSA-N -1 0 306.384 -0.211 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC000566694053 381669269 /nfs/dbraw/zinc/66/92/69/381669269.db2.gz OWXOCNGETRYPEL-VIFPVBQESA-N -1 0 305.356 -0.425 20 0 DBADRM O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1nc(=O)[nH][n-]1 ZINC000153584198 381678100 /nfs/dbraw/zinc/67/81/00/381678100.db2.gz VIXLMLLYAHAKKN-MRVPVSSYSA-N -1 0 323.259 -0.089 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000567044217 381678331 /nfs/dbraw/zinc/67/83/31/381678331.db2.gz ZKKBKIYDIWMOLN-LURJTMIESA-N -1 0 314.241 -0.176 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CCC1 ZINC000567158201 381684892 /nfs/dbraw/zinc/68/48/92/381684892.db2.gz NBQNPDDCQMKLOL-SFYZADRCSA-N -1 0 309.340 -0.917 20 0 DBADRM CN(C(=O)C(=O)Nc1cccc(C(=O)[O-])c1)[C@@H]1COC[C@H]1O ZINC000567501806 381699662 /nfs/dbraw/zinc/69/96/62/381699662.db2.gz IYKLCUSEVUUKDA-GHMZBOCLSA-N -1 0 308.290 -0.459 20 0 DBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(Cc2nnn(CC(F)(F)F)n2)C1 ZINC000568067479 381735601 /nfs/dbraw/zinc/73/56/01/381735601.db2.gz WMSZHVJFFSLOOI-BQBZGAKWSA-N -1 0 309.248 -0.091 20 0 DBADRM CCCC[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000063142486 184273813 /nfs/dbraw/zinc/27/38/13/184273813.db2.gz JUFOQLXALZXDIR-MRVPVSSYSA-N -1 0 301.386 -0.406 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000567881177 381722792 /nfs/dbraw/zinc/72/27/92/381722792.db2.gz UKBVKFPMSFSEOB-DYCLVXDSSA-N -1 0 304.368 -0.665 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCCC1)[C@@H]1CCc2nnnn2CC1 ZINC000569009448 381783663 /nfs/dbraw/zinc/78/36/63/381783663.db2.gz WZABBVMUOKUFPI-SECBINFHSA-N -1 0 317.357 -0.276 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000572787042 381801007 /nfs/dbraw/zinc/80/10/07/381801007.db2.gz OLCUSSGTCWMFKZ-QMMMGPOBSA-N -1 0 303.292 -0.207 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC000569100462 381787722 /nfs/dbraw/zinc/78/77/22/381787722.db2.gz JCGLNLIPDKMUMI-FOGDFJRCSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NCCCC(=O)[O-] ZINC000569123730 381787841 /nfs/dbraw/zinc/78/78/41/381787841.db2.gz WDVKDYJAIDLHKE-NXEZZACHSA-N -1 0 302.327 -0.722 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)CCc1scnc1C)[C@H](C)O ZINC000569238054 381794560 /nfs/dbraw/zinc/79/45/60/381794560.db2.gz ONNAZGPBAWYPQQ-WCBMZHEXSA-N -1 0 322.408 -0.164 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)cn1C ZINC000568741500 381772671 /nfs/dbraw/zinc/77/26/71/381772671.db2.gz VVTOEKCECPIDQX-NSHDSACASA-N -1 0 303.340 -0.359 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000568769543 381775439 /nfs/dbraw/zinc/77/54/39/381775439.db2.gz YLHLVNZWMFFZRI-AEJSXWLSSA-N -1 0 306.384 -0.022 20 0 DBADRM COC(=O)c1cc(F)cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1 ZINC000568782442 381775572 /nfs/dbraw/zinc/77/55/72/381775572.db2.gz QKLYDYMZULGGPB-SECBINFHSA-N -1 0 321.282 -0.664 20 0 DBADRM C[C@@H]1CCCCN1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000167251364 381821504 /nfs/dbraw/zinc/82/15/04/381821504.db2.gz ZNRIQEYCMUMPJT-SECBINFHSA-N -1 0 317.371 -0.429 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCc2cccnn2)C[C@@H]1C(=O)[O-] ZINC000573564468 381833096 /nfs/dbraw/zinc/83/30/96/381833096.db2.gz JKXPOJSNSJMZLF-ONGXEEELSA-N -1 0 306.322 -0.338 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2cccnn2)C[C@H]1C(=O)[O-] ZINC000573564467 381833175 /nfs/dbraw/zinc/83/31/75/381833175.db2.gz JKXPOJSNSJMZLF-MWLCHTKSSA-N -1 0 306.322 -0.338 20 0 DBADRM Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)NCCCC(=O)[O-] ZINC000573609186 381834679 /nfs/dbraw/zinc/83/46/79/381834679.db2.gz WZCDUZZHSAZBHB-JTQLQIEISA-N -1 0 308.338 -0.105 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@](C)(O)C2)C[C@@H]1C(=O)[O-] ZINC000573683902 381837234 /nfs/dbraw/zinc/83/72/34/381837234.db2.gz MPYMKEWNHKIHIA-JRPNMDOOSA-N -1 0 312.366 -0.071 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000573124711 381814294 /nfs/dbraw/zinc/81/42/94/381814294.db2.gz HGGOAZPQUJDFQD-OIBJUYFYSA-N -1 0 304.324 -0.407 20 0 DBADRM Cc1noc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000573120279 381815023 /nfs/dbraw/zinc/81/50/23/381815023.db2.gz KTHDRZKOKIUOHL-IONNQARKSA-N -1 0 310.310 -0.437 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)C1CC1)C(=O)[O-] ZINC000573189520 381815837 /nfs/dbraw/zinc/81/58/37/381815837.db2.gz SBWZCNSHTBYOFP-JTQLQIEISA-N -1 0 313.354 -0.756 20 0 DBADRM NS(=O)(=O)C1(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000573211900 381817702 /nfs/dbraw/zinc/81/77/02/381817702.db2.gz BVFIJCAIEYLOKI-UHFFFAOYSA-N -1 0 322.350 -0.696 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cn(C)nc1C ZINC000573243906 381820118 /nfs/dbraw/zinc/82/01/18/381820118.db2.gz HBYNQOSIDKFAJR-NSHDSACASA-N -1 0 305.356 -0.113 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cn(C)c(C(C)C)n1)C(=O)[O-] ZINC000574734279 381876350 /nfs/dbraw/zinc/87/63/50/381876350.db2.gz RFGCEEXGAQFMJW-MRVPVSSYSA-N -1 0 305.356 -0.079 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(C(N)=O)cc1OC)C(=O)[O-] ZINC000574755915 381876609 /nfs/dbraw/zinc/87/66/09/381876609.db2.gz JGUJUDDDIDKUKQ-MRVPVSSYSA-N -1 0 323.305 -0.288 20 0 DBADRM Cc1c(C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)nnn1C ZINC000573982541 381847431 /nfs/dbraw/zinc/84/74/31/381847431.db2.gz QNGQYTLDFVKYCZ-GXSJLCMTSA-N -1 0 323.353 -0.437 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@H](CCC(=O)OC)C(=O)[O-])c1 ZINC000168811502 381855462 /nfs/dbraw/zinc/85/54/62/381855462.db2.gz QBKGJMPQOSBIHQ-MRVPVSSYSA-N -1 0 319.339 -0.412 20 0 DBADRM Cc1csc2ncc(C(=O)NC[C@](C)(O)C(=O)[O-])c(=O)n12 ZINC000574204407 381855797 /nfs/dbraw/zinc/85/57/97/381855797.db2.gz FEYVMJKDCXQGRL-LBPRGKRZSA-N -1 0 311.319 -0.370 20 0 DBADRM CC(C)c1n[nH]cc1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000574571831 381870026 /nfs/dbraw/zinc/87/00/26/381870026.db2.gz AEPIKRYOHAVDIK-SECBINFHSA-N -1 0 315.351 -0.143 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C2(c3cccnc3)CC2)CCS1(=O)=O ZINC000574630165 381871546 /nfs/dbraw/zinc/87/15/46/381871546.db2.gz MTKAQGONVQIGDS-LLVKDONJSA-N -1 0 324.358 -0.177 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000574683640 381874133 /nfs/dbraw/zinc/87/41/33/381874133.db2.gz YMFURXBJYVDVPI-NSHDSACASA-N -1 0 300.355 -0.069 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000576240665 381917810 /nfs/dbraw/zinc/91/78/10/381917810.db2.gz DYRICXPDZBNVCE-ONGXEEELSA-N -1 0 317.367 -0.251 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)CCC2CCOCC2)CCO1 ZINC000576276535 381918798 /nfs/dbraw/zinc/91/87/98/381918798.db2.gz PZYSXTCMWLVCIW-LLVKDONJSA-N -1 0 307.368 -0.082 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cccc2c1OCC2)C(=O)[O-] ZINC000576337064 381919760 /nfs/dbraw/zinc/91/97/60/381919760.db2.gz QCOOAZDKHXKDJD-VIFPVBQESA-N -1 0 301.320 -0.001 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000575312638 381890572 /nfs/dbraw/zinc/89/05/72/381890572.db2.gz ZIVWQHMLCUJDPZ-WCBMZHEXSA-N -1 0 324.337 -0.394 20 0 DBADRM Cn1c2ccc(C(=O)NCCc3nc(=O)o[n-]3)cc2[nH]c1=O ZINC000580519929 381890785 /nfs/dbraw/zinc/89/07/85/381890785.db2.gz AFVPKOLGPBLCBC-UHFFFAOYSA-N -1 0 303.278 -0.072 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000577651308 381970459 /nfs/dbraw/zinc/97/04/59/381970459.db2.gz GACXSAGPZSVXEY-IWSPIJDZSA-N -1 0 306.384 -0.070 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000577107372 381947286 /nfs/dbraw/zinc/94/72/86/381947286.db2.gz OULGKEUIVBVYJP-JTQLQIEISA-N -1 0 305.381 -0.033 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)C(=O)[O-])cn1 ZINC000577109632 381948212 /nfs/dbraw/zinc/94/82/12/381948212.db2.gz KARBZNBWIKQLSF-ZETCQYMHSA-N -1 0 301.324 -0.465 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NCCCC(=O)[O-])[C@@H]1C ZINC000577730822 381972855 /nfs/dbraw/zinc/97/28/55/381972855.db2.gz WKOGHHJHQBKANU-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1=O ZINC000578185252 382000467 /nfs/dbraw/zinc/00/04/67/382000467.db2.gz PJDLORGKVREEEK-UHFFFAOYSA-N -1 0 323.280 -0.237 20 0 DBADRM CNS(=O)(=O)c1cccc(CNC(=O)N(C)CC(=O)[O-])c1 ZINC000578155596 382000709 /nfs/dbraw/zinc/00/07/09/382000709.db2.gz BBAOKNYKVMYAGF-UHFFFAOYSA-N -1 0 315.351 -0.179 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000578237346 382007238 /nfs/dbraw/zinc/00/72/38/382007238.db2.gz JHKBNBGAGDZGCB-ONGXEEELSA-N -1 0 313.354 -0.850 20 0 DBADRM Cc1oc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1C(=O)[O-] ZINC000577845863 381974622 /nfs/dbraw/zinc/97/46/22/381974622.db2.gz KXPWVJXJFNOFJW-UHFFFAOYSA-N -1 0 323.348 -0.295 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000577946693 381979658 /nfs/dbraw/zinc/97/96/58/381979658.db2.gz BBVZVJBWRUANOF-AMJWSMQMSA-N -1 0 323.349 -0.953 20 0 DBADRM CN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC000578070453 381990013 /nfs/dbraw/zinc/99/00/13/381990013.db2.gz UAHBESASSWRBMS-UHFFFAOYSA-N -1 0 304.299 -0.353 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000578981861 382042381 /nfs/dbraw/zinc/04/23/81/382042381.db2.gz SPBAKDFZDVLFQU-OPRDCNLKSA-N -1 0 320.367 -0.289 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1)C(=O)NC ZINC000579122484 382050787 /nfs/dbraw/zinc/05/07/87/382050787.db2.gz RWBUZZBEXLAGOR-JTQLQIEISA-N -1 0 307.306 -0.036 20 0 DBADRM O=C([O-])C[C@@]1(NS(=O)(=O)c2cnc3n2CCC3)CCOC1 ZINC000579345006 382063321 /nfs/dbraw/zinc/06/33/21/382063321.db2.gz SHTPLZQQJCVFPU-LBPRGKRZSA-N -1 0 315.351 -0.259 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-] ZINC000579442152 382067220 /nfs/dbraw/zinc/06/72/20/382067220.db2.gz LPOQCUYDMFYHRD-QMMMGPOBSA-N -1 0 303.340 -0.029 20 0 DBADRM COCCN(C(=O)N1CCS(=O)(=O)CC1)[C@H](C)C(=O)[O-] ZINC000578599402 382023010 /nfs/dbraw/zinc/02/30/10/382023010.db2.gz QAJCCPPMFCZUNF-SECBINFHSA-N -1 0 308.356 -0.742 20 0 DBADRM C/C=C\C[C@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000578753464 382031806 /nfs/dbraw/zinc/03/18/06/382031806.db2.gz XELUKSFPMWCAQY-QKMQQOOLSA-N -1 0 319.383 -0.261 20 0 DBADRM C/C=C\C[C@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000578753461 382032666 /nfs/dbraw/zinc/03/26/66/382032666.db2.gz XELUKSFPMWCAQY-CMIOBCHKSA-N -1 0 319.383 -0.261 20 0 DBADRM O=c1nc(CCNS(=O)(=O)c2ccc3c(c2)COC3)[n-]o1 ZINC000580920812 382121417 /nfs/dbraw/zinc/12/14/17/382121417.db2.gz OOEAFFAKTJJFKJ-UHFFFAOYSA-N -1 0 311.319 -0.086 20 0 DBADRM COC(=O)c1cn(CC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)nn1 ZINC000580956638 382123517 /nfs/dbraw/zinc/12/35/17/382123517.db2.gz DOMPRMWESPCUIK-DTWKUNHWSA-N -1 0 310.310 -0.366 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000579494962 382071072 /nfs/dbraw/zinc/07/10/72/382071072.db2.gz HRUNJUGMROLXPQ-ZJUUUORDSA-N -1 0 309.384 -0.101 20 0 DBADRM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccc([O-])c(Cl)c1 ZINC000579613033 382080758 /nfs/dbraw/zinc/08/07/58/382080758.db2.gz XBSQJRUTHKVTRA-PSASIEDQSA-N -1 0 305.739 -0.067 20 0 DBADRM COCCOCCCCNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000581129637 382131569 /nfs/dbraw/zinc/13/15/69/382131569.db2.gz YBTLGCSIEZXBTO-LLVKDONJSA-N -1 0 324.399 -0.187 20 0 DBADRM COc1cncnc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000581462136 382149655 /nfs/dbraw/zinc/14/96/55/382149655.db2.gz IKYJPYUMUQUBTB-UHFFFAOYSA-N -1 0 311.323 -0.277 20 0 DBADRM COC(=O)c1cn(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)nn1 ZINC000581491828 382152838 /nfs/dbraw/zinc/15/28/38/382152838.db2.gz IZSVFYSDZYSULA-IUCAKERBSA-N -1 0 310.310 -0.224 20 0 DBADRM Cn1c(N2CCO[C@@H](CC(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000581551183 382157449 /nfs/dbraw/zinc/15/74/49/382157449.db2.gz DRWHVSQYYZMZKY-ZETCQYMHSA-N -1 0 323.309 -0.948 20 0 DBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c1 ZINC000384583907 382168234 /nfs/dbraw/zinc/16/82/34/382168234.db2.gz ZKMFXVZLOWABGZ-VIFPVBQESA-N -1 0 320.348 -0.818 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N2CC[C@H]2C(=O)[O-])CC1 ZINC000384660476 382170444 /nfs/dbraw/zinc/17/04/44/382170444.db2.gz RVSLVFBJRLEGAA-VIFPVBQESA-N -1 0 306.340 -0.725 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC[C@H]1C(=O)[O-] ZINC000384662024 382170758 /nfs/dbraw/zinc/17/07/58/382170758.db2.gz UWGOUXASRFHETO-DTWKUNHWSA-N -1 0 306.340 -0.582 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCn3cnnc3C2)C[C@@H]1C(=O)[O-] ZINC000581726621 382173306 /nfs/dbraw/zinc/17/33/06/382173306.db2.gz VRXSLCNOGLOKKY-ZJUUUORDSA-N -1 0 321.337 -0.811 20 0 DBADRM CC(C)C[C@@H](CNC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)C(=O)[O-] ZINC000386666171 382196113 /nfs/dbraw/zinc/19/61/13/382196113.db2.gz NMCAZQJPJSMUBT-LPEHRKFASA-N -1 0 311.338 -0.353 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC(=O)N1 ZINC000387109305 382201183 /nfs/dbraw/zinc/20/11/83/382201183.db2.gz GTEWSXDACDWRCK-SSDOTTSWSA-N -1 0 301.324 -0.768 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCOCCN2)c1 ZINC000615482994 382203237 /nfs/dbraw/zinc/20/32/37/382203237.db2.gz LTORCCXPCLULMU-UHFFFAOYSA-N -1 0 301.324 -0.983 20 0 DBADRM Cn1c(=O)oc2ccc(CNC(=O)C(=O)NCCC(=O)[O-])cc21 ZINC000627277297 382212771 /nfs/dbraw/zinc/21/27/71/382212771.db2.gz FALYZQLOCLANCC-UHFFFAOYSA-N -1 0 321.289 -0.661 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCCOC2)CCO1 ZINC000627280282 382215431 /nfs/dbraw/zinc/21/54/31/382215431.db2.gz DGDQJHSBCBSJJL-MNOVXSKESA-N -1 0 314.338 -0.769 20 0 DBADRM CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000627279942 382215752 /nfs/dbraw/zinc/21/57/52/382215752.db2.gz WRRCMAMVQUIVHA-ONGXEEELSA-N -1 0 313.354 -0.660 20 0 DBADRM CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@@H](C)O ZINC000615861315 382282081 /nfs/dbraw/zinc/28/20/81/382282081.db2.gz YFDVETICKJTGRR-GMSGAONNSA-N -1 0 302.352 -0.071 20 0 DBADRM COCC(COC)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000615858952 382282702 /nfs/dbraw/zinc/28/27/02/382282702.db2.gz ZAGTVQNOZDBBSM-UHFFFAOYSA-N -1 0 318.351 -0.569 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C[C@H]2C[C@H]2C1 ZINC000627283914 382246654 /nfs/dbraw/zinc/24/66/54/382246654.db2.gz NLBRNOALYRAXLM-BQVMBELUSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC000089696342 382334702 /nfs/dbraw/zinc/33/47/02/382334702.db2.gz JWXYYZQFNNXMDB-SECBINFHSA-N -1 0 317.371 -0.457 20 0 DBADRM CC(C)Cc1nc(=NC(=O)CN2C(=O)CN(C)C2=O)s[n-]1 ZINC000618345923 382358951 /nfs/dbraw/zinc/35/89/51/382358951.db2.gz AVDCMPCNOZXRNT-UHFFFAOYSA-N -1 0 311.367 -0.009 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000402534393 382397349 /nfs/dbraw/zinc/39/73/49/382397349.db2.gz SSQSJXIHIVYDRB-JTQLQIEISA-N -1 0 319.339 -0.582 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)N(CC(=O)[O-])C2CC2)CC1 ZINC000400198922 382389570 /nfs/dbraw/zinc/38/95/70/382389570.db2.gz QIKJDRHAVSROHE-UHFFFAOYSA-N -1 0 319.383 -0.331 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)c2cc(C(=O)[O-])co2)C1 ZINC000400235291 382392194 /nfs/dbraw/zinc/39/21/94/382392194.db2.gz URHCSFIKYIHUJW-MRVPVSSYSA-N -1 0 302.308 -0.259 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1 ZINC000619956464 382434368 /nfs/dbraw/zinc/43/43/68/382434368.db2.gz YMLAQXWZLHRZJW-UHFFFAOYSA-N -1 0 310.335 -0.225 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000619980981 382436022 /nfs/dbraw/zinc/43/60/22/382436022.db2.gz DYKBCSOSBWWHRW-SECBINFHSA-N -1 0 323.353 -0.686 20 0 DBADRM CN=c1[nH]c(CNC(=O)N=c2ccc(C(=O)OC)n[n-]2)cs1 ZINC000619628679 382413746 /nfs/dbraw/zinc/41/37/46/382413746.db2.gz USYBMWHPIFPNFD-UHFFFAOYSA-N -1 0 322.350 -0.073 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000619708801 382421080 /nfs/dbraw/zinc/42/10/80/382421080.db2.gz SKYSUBFUSFICQW-NSHDSACASA-N -1 0 309.340 -0.507 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@H]1C[C@H](O)C1 ZINC000620867390 382457918 /nfs/dbraw/zinc/45/79/18/382457918.db2.gz VBERUEZEXRPOLG-ZKCHVHJHSA-N -1 0 320.317 -0.117 20 0 DBADRM CN1CC[C@H](C(=O)N2CCSC[C@H](C(=O)[O-])C2)S1(=O)=O ZINC000621606750 382492694 /nfs/dbraw/zinc/49/26/94/382492694.db2.gz DBRFCWUVSIXTDM-RKDXNWHRSA-N -1 0 322.408 -0.704 20 0 DBADRM CN(CC(=O)N1CCSC[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000621603391 382493119 /nfs/dbraw/zinc/49/31/19/382493119.db2.gz MBANGTXXBRFCLK-MRVPVSSYSA-N -1 0 310.397 -0.846 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]1CCCC2 ZINC000621616984 382493215 /nfs/dbraw/zinc/49/32/15/382493215.db2.gz HEPJVNFEPMMQBF-GBIKHYSHSA-N -1 0 316.379 -0.219 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC000621607158 382493286 /nfs/dbraw/zinc/49/32/86/382493286.db2.gz NNPGBJPLIIYPLI-DTWKUNHWSA-N -1 0 307.393 -0.160 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000621584846 382490671 /nfs/dbraw/zinc/49/06/71/382490671.db2.gz JRKULMUGZOGLTG-CYBMUJFWSA-N -1 0 313.354 -0.612 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])nn1 ZINC000621598774 382491307 /nfs/dbraw/zinc/49/13/07/382491307.db2.gz XWCQNAOMYRASSA-VHSXEESVSA-N -1 0 323.353 -0.261 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCC2(C(=O)[O-])CC2)o1 ZINC000621571573 382491592 /nfs/dbraw/zinc/49/15/92/382491592.db2.gz FJKQKERVNJCJLZ-UHFFFAOYSA-N -1 0 302.308 -0.218 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C1CCCCC1 ZINC000621586288 382491762 /nfs/dbraw/zinc/49/17/62/382491762.db2.gz YATVOMOADYFSJZ-ZJUUUORDSA-N -1 0 304.368 -0.172 20 0 DBADRM O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1c[n-]n2c1nccc2=O ZINC000621900584 382521587 /nfs/dbraw/zinc/52/15/87/382521587.db2.gz ANLPAJKEWRGVQA-MRVPVSSYSA-N -1 0 301.306 -0.484 20 0 DBADRM Cn1ccc(N2CCC[C@@H](NC(=O)N3CC(C(=O)[O-])C3)C2=O)n1 ZINC000621831299 382511135 /nfs/dbraw/zinc/51/11/35/382511135.db2.gz ZHYBJBASVSARPT-SNVBAGLBSA-N -1 0 321.337 -0.359 20 0 DBADRM CN(CCc1ccccn1)C(=O)CNC(=O)N1CC(C(=O)[O-])C1 ZINC000621829849 382511335 /nfs/dbraw/zinc/51/13/35/382511335.db2.gz NBSNGXFUCHBNQY-UHFFFAOYSA-N -1 0 320.349 -0.192 20 0 DBADRM CCN(CCCNC(=O)N1CC(C(=O)[O-])C1)S(C)(=O)=O ZINC000621830087 382511374 /nfs/dbraw/zinc/51/13/74/382511374.db2.gz XVQNDDHTOAIZSR-UHFFFAOYSA-N -1 0 307.372 -0.616 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](CO)C1)C(=O)[O-] ZINC000621835520 382512706 /nfs/dbraw/zinc/51/27/06/382512706.db2.gz CHFKLHAMIWMMJN-UTUOFQBUSA-N -1 0 314.382 -0.064 20 0 DBADRM O=C([O-])C1CN(C(=O)NCCC2CCS(=O)(=O)CC2)C1 ZINC000621832764 382512873 /nfs/dbraw/zinc/51/28/73/382512873.db2.gz MAGKSZARWVOGGP-UHFFFAOYSA-N -1 0 304.368 -0.073 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C[C@H]1CO ZINC000622045844 382538886 /nfs/dbraw/zinc/53/88/86/382538886.db2.gz ADCDCDJGUPYOJZ-UTUOFQBUSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@H](C)[C@@H](CO)C1)C(=O)[O-] ZINC000622046104 382540513 /nfs/dbraw/zinc/54/05/13/382540513.db2.gz ISGGCKQZTHRJEN-HBNTYKKESA-N -1 0 300.355 -0.358 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](CO)C1)C(=O)[O-] ZINC000622046103 382540737 /nfs/dbraw/zinc/54/07/37/382540737.db2.gz ISGGCKQZTHRJEN-GMTAPVOTSA-N -1 0 300.355 -0.358 20 0 DBADRM O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1n[nH]c(=O)[n-]1 ZINC000080328212 382553658 /nfs/dbraw/zinc/55/36/58/382553658.db2.gz NYSXWNNTERIAAZ-LBPRGKRZSA-N -1 0 317.349 -0.099 20 0 DBADRM N#Cc1ccccc1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000315897068 382555207 /nfs/dbraw/zinc/55/52/07/382555207.db2.gz MDFFVMVNWNQUHV-UHFFFAOYSA-N -1 0 321.318 -0.174 20 0 DBADRM CC(C)(CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(N)=O ZINC000624255787 382608473 /nfs/dbraw/zinc/60/84/73/382608473.db2.gz UTECYWFEYZCCFL-UHFFFAOYSA-N -1 0 314.367 -0.306 20 0 DBADRM C[C@H]1CN(C(=O)NCCN2C(=O)CCC2=O)CC[C@H]1C(=O)[O-] ZINC000405373357 382645804 /nfs/dbraw/zinc/64/58/04/382645804.db2.gz DRFKUYOZBWUVGE-VHSXEESVSA-N -1 0 311.338 -0.112 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NCc2cn(C)nn2)cc1 ZINC000631203943 382646583 /nfs/dbraw/zinc/64/65/83/382646583.db2.gz VXXGUEOYYVFRTL-UHFFFAOYSA-N -1 0 300.326 -0.108 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=N[C@H]2COC[C@H]2OC)cc1 ZINC000631298985 382646954 /nfs/dbraw/zinc/64/69/54/382646954.db2.gz NEYMEVTZWLZLSP-QWHCGFSZSA-N -1 0 305.338 -0.022 20 0 DBADRM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ncc[n-]1 ZINC000631881891 382652852 /nfs/dbraw/zinc/65/28/52/382652852.db2.gz LMCLOGRQFAVMCZ-QMMMGPOBSA-N -1 0 304.397 -0.048 20 0 DBADRM O=S(=O)(NC[C@H]1CN2CCN1CC2)c1cc([O-])cc(F)c1 ZINC000632129151 382662173 /nfs/dbraw/zinc/66/21/73/382662173.db2.gz FRQPTVPCDBBWJS-NSHDSACASA-N -1 0 315.370 -0.191 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)sn1 ZINC000632187757 382663401 /nfs/dbraw/zinc/66/34/01/382663401.db2.gz GCMAZLSYSDHRCV-ZETCQYMHSA-N -1 0 316.364 -0.624 20 0 DBADRM COC1(CS(=O)(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CCC1 ZINC000632188808 382663424 /nfs/dbraw/zinc/66/34/24/382663424.db2.gz UWFMGKQBEIHIFE-VIFPVBQESA-N -1 0 317.367 -0.879 20 0 DBADRM Cc1cc(S(=O)(=O)NCC(=O)N2CCOCC2)sn1 ZINC000632185237 382663433 /nfs/dbraw/zinc/66/34/33/382663433.db2.gz YJZVFAGHMLJNOV-UHFFFAOYSA-N -1 0 305.381 -0.411 20 0 DBADRM COC1(CS(=O)(=O)NCC(=O)N2CCOCC2)CCCC1 ZINC000632185045 382663557 /nfs/dbraw/zinc/66/35/57/382663557.db2.gz QUCMVXUYPWXWPI-UHFFFAOYSA-N -1 0 320.411 -0.276 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@@H]1COCC[C@H]1O)C1CCOCC1 ZINC000632707819 382676921 /nfs/dbraw/zinc/67/69/21/382676921.db2.gz WMSXTATUMMYABF-JHJVBQTASA-N -1 0 323.411 -0.503 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCSCC2)C1 ZINC000633062689 382680654 /nfs/dbraw/zinc/68/06/54/382680654.db2.gz JFRKQCFHGIVKRH-ZDUSSCGKSA-N -1 0 316.379 -0.489 20 0 DBADRM COCCCN(C)C(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000633063640 382680821 /nfs/dbraw/zinc/68/08/21/382680821.db2.gz BSNDQTUXEVCHDC-AWEZNQCLSA-N -1 0 316.354 -0.569 20 0 DBADRM CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000633067315 382680919 /nfs/dbraw/zinc/68/09/19/382680919.db2.gz HFFYCGCUYWVUCT-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C[C@H]1CO ZINC000633068868 382680926 /nfs/dbraw/zinc/68/09/26/382680926.db2.gz ADCDCDJGUPYOJZ-SRVKXCTJSA-N -1 0 312.366 -0.214 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)C1 ZINC000633069499 382680965 /nfs/dbraw/zinc/68/09/65/382680965.db2.gz NWIYMKAEDSFMFR-QJPTWQEYSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3COC[C@@H]3C2)C1 ZINC000633069502 382680966 /nfs/dbraw/zinc/68/09/66/382680966.db2.gz NWIYMKAEDSFMFR-TUAOUCFPSA-N -1 0 310.350 -0.196 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000633070045 382680986 /nfs/dbraw/zinc/68/09/86/382680986.db2.gz TXPMFAMISUKMDE-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCn3cncc3C2)C1 ZINC000633071913 382680990 /nfs/dbraw/zinc/68/09/90/382680990.db2.gz GQJSADXJKXIGQZ-JTQLQIEISA-N -1 0 306.322 -0.452 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C3CC3)C2)C1 ZINC000633066440 382681003 /nfs/dbraw/zinc/68/10/03/382681003.db2.gz KLCWPWUAJRJDMP-RYUDHWBXSA-N -1 0 310.350 -0.053 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC3CC2(C)C3)C1 ZINC000633068874 382681020 /nfs/dbraw/zinc/68/10/20/382681020.db2.gz AIKBOLHENMERPG-XWFMALBVSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C(N1CCCC1)N1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000631699342 382639818 /nfs/dbraw/zinc/63/98/18/382639818.db2.gz HYMDQKXBZCWYDD-UHFFFAOYSA-N -1 0 313.383 -0.068 20 0 DBADRM CCN(Cc1ccccc1)S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000274902572 285115305 /nfs/dbraw/zinc/11/53/05/285115305.db2.gz IMQMDKRBDGTIJQ-NSHDSACASA-N -1 0 302.352 -0.212 20 0 DBADRM COCc1nc(=NC(=O)[C@H]2CC[C@H](C(=O)OC)O2)s[n-]1 ZINC000355567602 220623157 /nfs/dbraw/zinc/62/31/57/220623157.db2.gz AGSDKFHGQJTGOY-RNFRBKRXSA-N -1 0 301.324 -0.235 20 0 DBADRM O=C1OC[C@@H]2CN(S(=O)(=O)[N-]CC(F)(F)F)CCN12 ZINC000367024757 220855294 /nfs/dbraw/zinc/85/52/94/220855294.db2.gz SFLORDSAWINPTG-LURJTMIESA-N -1 0 303.262 -0.481 20 0 DBADRM CCN1CCO[C@@H](CN2CCN(C(=O)CNC(=O)[O-])CC2)C1 ZINC000376114485 285356873 /nfs/dbraw/zinc/35/68/73/285356873.db2.gz JMVRPFWSUXFXBK-GFCCVEGCSA-N -1 0 314.386 -0.881 20 0 DBADRM COc1cccc(C[C@@H](O)C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000447638016 533542947 /nfs/dbraw/zinc/54/29/47/533542947.db2.gz YPRDUNMDFAXLBC-LLVKDONJSA-N -1 0 307.306 -0.366 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCOC(N)=O ZINC000272207382 130007293 /nfs/dbraw/zinc/00/72/93/130007293.db2.gz ILBKLLUCDLAXGR-UHFFFAOYSA-N -1 0 301.324 -0.117 20 0 DBADRM O=C1CN(CC[N-]S(=O)(=O)c2c(F)cccc2F)CCN1 ZINC000272730506 130058919 /nfs/dbraw/zinc/05/89/19/130058919.db2.gz ZOFXZNLLCWFIGQ-UHFFFAOYSA-N -1 0 319.333 -0.325 20 0 DBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)[N-]n1cn[nH]c1=O ZINC000272918736 130073429 /nfs/dbraw/zinc/07/34/29/130073429.db2.gz SUMPYKHAJHCWRI-UHFFFAOYSA-N -1 0 315.311 -0.893 20 0 DBADRM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000273696252 130155769 /nfs/dbraw/zinc/15/57/69/130155769.db2.gz CKRSKDHIMVXONC-UHFFFAOYSA-N -1 0 316.310 -0.047 20 0 DBADRM NC(=O)[C@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CCO1 ZINC000273711551 130156040 /nfs/dbraw/zinc/15/60/40/130156040.db2.gz PDBAZLQUEIZGFK-SNVBAGLBSA-N -1 0 314.319 -0.740 20 0 DBADRM COCc1cccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1 ZINC000274426858 130234042 /nfs/dbraw/zinc/23/40/42/130234042.db2.gz FXWCJFVVYNOAFO-UHFFFAOYSA-N -1 0 313.335 -0.080 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000274868365 130267967 /nfs/dbraw/zinc/26/79/67/130267967.db2.gz ACCLTKZKJRNJGX-SSDOTTSWSA-N -1 0 316.291 -0.978 20 0 DBADRM COCCn1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])cn1 ZINC000274916124 130272771 /nfs/dbraw/zinc/27/27/71/130272771.db2.gz ACLHXIPWXUXMNW-SECBINFHSA-N -1 0 321.380 -0.322 20 0 DBADRM Cc1cc(F)cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000274933908 130275480 /nfs/dbraw/zinc/27/54/80/130275480.db2.gz PNOBYNYTKNQTLK-VIFPVBQESA-N -1 0 304.299 -0.259 20 0 DBADRM COCCn1cc(S(=O)(=O)NC[C@@H](C)CC(=O)[O-])cn1 ZINC000274976901 130279296 /nfs/dbraw/zinc/27/92/96/130279296.db2.gz JHJYQMYYHBKCLK-VIFPVBQESA-N -1 0 305.356 -0.081 20 0 DBADRM CCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])c1c(C)nn(C)c1C ZINC000275052220 130288690 /nfs/dbraw/zinc/28/86/90/130288690.db2.gz ILGVANQCPYTJBR-SNVBAGLBSA-N -1 0 304.372 -0.051 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)nc1)C(=O)[O-] ZINC000275068307 130289122 /nfs/dbraw/zinc/28/91/22/130289122.db2.gz KWDFWEZYUNPBSI-ZETCQYMHSA-N -1 0 321.742 -0.268 20 0 DBADRM CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cnc([O-])n(C)c1=O ZINC000275118717 130292984 /nfs/dbraw/zinc/29/29/84/130292984.db2.gz GLOIFKROXIOXCJ-SSDOTTSWSA-N -1 0 309.244 -0.129 20 0 DBADRM COc1cc(OC)cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1 ZINC000275130817 130293524 /nfs/dbraw/zinc/29/35/24/130293524.db2.gz VKGQEDSYUWWULA-NSHDSACASA-N -1 0 319.335 -0.182 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)[O-] ZINC000275242283 130299681 /nfs/dbraw/zinc/29/96/81/130299681.db2.gz KJVJLVRNSUDHKY-VIFPVBQESA-N -1 0 302.308 -0.437 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c(C)c1F ZINC000275255762 130301346 /nfs/dbraw/zinc/30/13/46/130301346.db2.gz LRUOAZMDMPJZTK-ZETCQYMHSA-N -1 0 307.299 -0.133 20 0 DBADRM Cn1cc(C[C@H](NS(=O)(=O)C[C@@H]2CCCO2)C(=O)[O-])cn1 ZINC000275265210 130301414 /nfs/dbraw/zinc/30/14/14/130301414.db2.gz MRPAMNCYONEFFB-QWRGUYRKSA-N -1 0 317.367 -0.486 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1C ZINC000275330959 130306302 /nfs/dbraw/zinc/30/63/02/130306302.db2.gz QLXKFDCWYUZSJK-NXEZZACHSA-N -1 0 317.367 -0.272 20 0 DBADRM COCCCS(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275369144 130307402 /nfs/dbraw/zinc/30/74/02/130307402.db2.gz YILLHMATMQARRT-SNVBAGLBSA-N -1 0 305.356 -0.628 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000275378318 130311134 /nfs/dbraw/zinc/31/11/34/130311134.db2.gz XBTIOMFWKJWFPY-UHFFFAOYSA-N -1 0 309.731 -0.615 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-] ZINC000275533067 130330471 /nfs/dbraw/zinc/33/04/71/130330471.db2.gz BZTUJOLGBYCXGU-GFCCVEGCSA-N -1 0 319.383 -0.211 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])cn1 ZINC000275595746 130345097 /nfs/dbraw/zinc/34/50/97/130345097.db2.gz IRYDGGVSTVSDLV-LLVKDONJSA-N -1 0 305.356 -0.345 20 0 DBADRM CCCN(C(=O)C(=O)N=c1nc(C)n(C)[n-]1)[C@@H]1CCN(C)C1 ZINC000646763920 391936831 /nfs/dbraw/zinc/93/68/31/391936831.db2.gz LCFPFOUJIHPLKK-LLVKDONJSA-N -1 0 308.386 -0.573 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC000507397375 391913538 /nfs/dbraw/zinc/91/35/38/391913538.db2.gz AQXULTRFANNLOI-ZJUUUORDSA-N -1 0 304.368 -0.409 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000646577534 391916016 /nfs/dbraw/zinc/91/60/16/391916016.db2.gz PRTJLGDKZQOWGT-QMMMGPOBSA-N -1 0 302.356 -0.470 20 0 DBADRM O=C(CN1CC(=O)NC1=O)N[C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000646720978 391931626 /nfs/dbraw/zinc/93/16/26/391931626.db2.gz HEHDVGFMQVLEFN-QUBYGPBYSA-N -1 0 309.244 -0.500 20 0 DBADRM O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000646720977 391931925 /nfs/dbraw/zinc/93/19/25/391931925.db2.gz HEHDVGFMQVLEFN-LHLIQPBNSA-N -1 0 309.244 -0.500 20 0 DBADRM CC[C@](C)(NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400140669 391986145 /nfs/dbraw/zinc/98/61/45/391986145.db2.gz WMPDHMZZKDXHTI-CABZTGNLSA-N -1 0 321.399 -0.037 20 0 DBADRM COc1ccc(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000277432976 130611824 /nfs/dbraw/zinc/61/18/24/130611824.db2.gz IXFQXOJIDZXLKY-UHFFFAOYSA-N -1 0 314.363 -0.180 20 0 DBADRM Cc1nccn1CCCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000649450060 392070805 /nfs/dbraw/zinc/07/08/05/392070805.db2.gz ICWPAQQYNARMRO-LLVKDONJSA-N -1 0 301.368 -0.235 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCCCc2nnc[nH]2)o1 ZINC000552587325 392071583 /nfs/dbraw/zinc/07/15/83/392071583.db2.gz DGLXJWCHJLEIIT-UHFFFAOYSA-N -1 0 313.339 -0.332 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000649453120 392072922 /nfs/dbraw/zinc/07/29/22/392072922.db2.gz BWCPDGPQTLNRSF-DTWKUNHWSA-N -1 0 306.384 -0.069 20 0 DBADRM CN(CCc1ccccn1)C(=O)CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000649463322 392075046 /nfs/dbraw/zinc/07/50/46/392075046.db2.gz GFLZULHHECVKGJ-VXGBXAGGSA-N -1 0 305.334 -0.081 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000649463104 392075517 /nfs/dbraw/zinc/07/55/17/392075517.db2.gz XBWRFVBVZXAPPF-NXEZZACHSA-N -1 0 316.321 -0.506 20 0 DBADRM O=C([O-])CCC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000553730042 392087853 /nfs/dbraw/zinc/08/78/53/392087853.db2.gz PZWGBZVHLZRGST-UHFFFAOYSA-N -1 0 310.397 -0.654 20 0 DBADRM CN1CC[C@H](C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])S1(=O)=O ZINC000649249998 392022863 /nfs/dbraw/zinc/02/28/63/392022863.db2.gz YVWDLYRNVXXWIC-LNFKQOIKSA-N -1 0 316.379 -0.268 20 0 DBADRM O=C([O-])Cn1ccc(=NC(=O)[C@@H]2CCCN2C(=O)C2CC2)[nH]1 ZINC000649245177 392022960 /nfs/dbraw/zinc/02/29/60/392022960.db2.gz VJNNWJLGMVSRER-JTQLQIEISA-N -1 0 306.322 -0.271 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000649246646 392023486 /nfs/dbraw/zinc/02/34/86/392023486.db2.gz UAAHHSKRHXNGEQ-GZMMTYOYSA-N -1 0 308.356 -0.984 20 0 DBADRM CN1CC[C@H](C(=O)N2CCSC[C@@H]2CC(=O)[O-])S1(=O)=O ZINC000649244636 392023574 /nfs/dbraw/zinc/02/35/74/392023574.db2.gz PVITVZQRLWZVSX-DTWKUNHWSA-N -1 0 322.408 -0.561 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1 ZINC000649257397 392024097 /nfs/dbraw/zinc/02/40/97/392024097.db2.gz IMDUDNSKEQFNQY-UWVGGRQHSA-N -1 0 320.367 -0.888 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@@H](C(=O)[O-])C1 ZINC000649251260 392024978 /nfs/dbraw/zinc/02/49/78/392024978.db2.gz SADCMVOSLZMEPT-BBBLOLIVSA-N -1 0 304.368 -0.268 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cccc(F)c1 ZINC000278167071 130668246 /nfs/dbraw/zinc/66/82/46/130668246.db2.gz CYLQJBSNJWPHQT-UHFFFAOYSA-N -1 0 304.299 -0.305 20 0 DBADRM Cn1nnnc1SCCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000551925657 392055138 /nfs/dbraw/zinc/05/51/38/392055138.db2.gz YIKVPKCAAVGNIJ-MRVPVSSYSA-N -1 0 323.386 -0.388 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(c2cncc(C(=O)[O-])n2)CC1 ZINC000649384748 392061437 /nfs/dbraw/zinc/06/14/37/392061437.db2.gz CRFHJIHYJBICEI-UHFFFAOYSA-N -1 0 315.355 -0.897 20 0 DBADRM O=C([O-])c1cnc(NCCCN2CCCS2(=O)=O)nc1 ZINC000649387950 392062643 /nfs/dbraw/zinc/06/26/43/392062643.db2.gz TZGTYSALOYUJNH-UHFFFAOYSA-N -1 0 300.340 -0.566 20 0 DBADRM C[C@H]1OCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)[C@H]1C ZINC000380381883 392062961 /nfs/dbraw/zinc/06/29/61/392062961.db2.gz QQFIGXVPNOYSID-DTWKUNHWSA-N -1 0 303.340 -0.234 20 0 DBADRM COCc1nc2n(n1)C[C@H](Nc1ccc(C(=O)[O-])nn1)CC2 ZINC000649396554 392062988 /nfs/dbraw/zinc/06/29/88/392062988.db2.gz UGSHCNJAIWMWBG-MRVPVSSYSA-N -1 0 304.310 -0.239 20 0 DBADRM Cc1sc(NC[C@H]2CS(=O)(=O)CCO2)nc1C(=O)[O-] ZINC000649397613 392063417 /nfs/dbraw/zinc/06/34/17/392063417.db2.gz QTUQGLZZIYNIML-ZETCQYMHSA-N -1 0 306.365 -0.203 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC000554433351 392092998 /nfs/dbraw/zinc/09/29/98/392092998.db2.gz HSLDTKGUKSJCRR-QMMMGPOBSA-N -1 0 305.356 -0.425 20 0 DBADRM COCC(COC)NC(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000384154343 392119133 /nfs/dbraw/zinc/11/91/33/392119133.db2.gz HYGHXHMZOMQSHU-ZDUSSCGKSA-N -1 0 304.343 -0.220 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(N2CCCC2)nn1 ZINC000280090061 130781936 /nfs/dbraw/zinc/78/19/36/130781936.db2.gz LLUMFHAEOGSNFQ-UHFFFAOYSA-N -1 0 304.310 -0.274 20 0 DBADRM COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000274170356 392123013 /nfs/dbraw/zinc/12/30/13/392123013.db2.gz MOOCNUNZCQTFQG-UHFFFAOYSA-N -1 0 321.333 -0.138 20 0 DBADRM O=C([O-])C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000274165483 392123321 /nfs/dbraw/zinc/12/33/21/392123321.db2.gz LTQYPOILMBGORN-UHFFFAOYSA-N -1 0 316.310 -0.257 20 0 DBADRM O=C([O-])C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000274126922 392123395 /nfs/dbraw/zinc/12/33/95/392123395.db2.gz DCLVHHNWKCOWMF-UHFFFAOYSA-N -1 0 322.346 -0.515 20 0 DBADRM Cc1cc(C)n2nc(C(=O)NCCc3nc(=O)o[n-]3)nc2n1 ZINC000280241620 130791337 /nfs/dbraw/zinc/79/13/37/130791337.db2.gz YMEBGKWLZSPPAX-UHFFFAOYSA-N -1 0 303.282 -0.610 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000035085915 392350232 /nfs/dbraw/zinc/35/02/32/392350232.db2.gz FQZNROHYQXXCAR-UHFFFAOYSA-N -1 0 314.319 -0.899 20 0 DBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000035085362 392350866 /nfs/dbraw/zinc/35/08/66/392350866.db2.gz HRNNCOFNNDMPHA-UHFFFAOYSA-N -1 0 314.319 -0.632 20 0 DBADRM COCCOc1cncc(C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000283898104 131032562 /nfs/dbraw/zinc/03/25/62/131032562.db2.gz XJUZWRSUYBDCKB-UHFFFAOYSA-N -1 0 308.294 -0.244 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cc(C(=O)NC)n(C)c1)C(=O)[O-] ZINC000035186588 392354380 /nfs/dbraw/zinc/35/43/80/392354380.db2.gz UCYGMGPNAFMFOX-MRVPVSSYSA-N -1 0 303.340 -0.474 20 0 DBADRM CN(CC(=O)NC1CC1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000035207923 392355684 /nfs/dbraw/zinc/35/56/84/392355684.db2.gz MZQFIMLGQYNXLK-UHFFFAOYSA-N -1 0 315.351 -0.378 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)[C@H](C)C(=O)NC2CC2)[n-]1 ZINC000285117564 131139179 /nfs/dbraw/zinc/13/91/79/131139179.db2.gz NGWDMQUASYVMMX-ZCFIWIBFSA-N -1 0 301.324 -0.363 20 0 DBADRM CO[C@H]1C[C@@H](CN(C)C(=O)CSc2n[nH]c(=O)[n-]2)[N@H+](C)C1 ZINC000285111772 131139487 /nfs/dbraw/zinc/13/94/87/131139487.db2.gz UVBORKJDUMQBON-IUCAKERBSA-N -1 0 315.399 -0.632 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)CCc1ccccc1)C(=O)[O-] ZINC000037462769 392375993 /nfs/dbraw/zinc/37/59/93/392375993.db2.gz AMLYBLSLGRJVHB-SNVBAGLBSA-N -1 0 300.336 -0.523 20 0 DBADRM CN(C)c1n[nH]c([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)n1 ZINC000285158264 131143789 /nfs/dbraw/zinc/14/37/89/131143789.db2.gz SDOVUFPCACMANB-UHFFFAOYSA-N -1 0 313.343 -0.891 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000367480563 392370541 /nfs/dbraw/zinc/37/05/41/392370541.db2.gz LOETWQOLBICJDB-VIFPVBQESA-N -1 0 323.367 -0.309 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)Nc1nncn1C1CC1 ZINC000285659301 131191103 /nfs/dbraw/zinc/19/11/03/131191103.db2.gz FGCHWSFYSVUYIZ-UHFFFAOYSA-N -1 0 317.371 -0.493 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000037326239 392371638 /nfs/dbraw/zinc/37/16/38/392371638.db2.gz HFERBDFAGJFHPG-QMMMGPOBSA-N -1 0 322.289 -0.038 20 0 DBADRM CCOc1ccc(S(=O)(=O)N(C)CC(N)=O)cc1C(=O)[O-] ZINC000037268726 392371838 /nfs/dbraw/zinc/37/18/38/392371838.db2.gz CDEJJRSTRDSXNA-UHFFFAOYSA-N -1 0 316.335 -0.111 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000037326240 392372117 /nfs/dbraw/zinc/37/21/17/392372117.db2.gz HFERBDFAGJFHPG-MRVPVSSYSA-N -1 0 322.289 -0.038 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)[O-] ZINC000037374572 392372399 /nfs/dbraw/zinc/37/23/99/392372399.db2.gz KQZOPWVNAANQQY-XRGYYRRGSA-N -1 0 317.348 -0.196 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-] ZINC000037406449 392373870 /nfs/dbraw/zinc/37/38/70/392373870.db2.gz GJUSYBCFAZSDAU-VIFPVBQESA-N -1 0 314.319 -0.772 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1C(N)=O ZINC000037419976 392373980 /nfs/dbraw/zinc/37/39/80/392373980.db2.gz YBZCQDNDOTWNBG-ZCFIWIBFSA-N -1 0 302.308 -0.455 20 0 DBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000037418236 392374015 /nfs/dbraw/zinc/37/40/15/392374015.db2.gz GHWOUQVWIRQRPG-ZETCQYMHSA-N -1 0 322.364 -0.654 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1C(N)=O ZINC000037418367 392374166 /nfs/dbraw/zinc/37/41/66/392374166.db2.gz RCBPROSJSPYGCU-QMMMGPOBSA-N -1 0 301.324 -0.638 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])cc1 ZINC000037463200 392374942 /nfs/dbraw/zinc/37/49/42/392374942.db2.gz NLVJKBGOXMIFDK-SECBINFHSA-N -1 0 316.360 -0.066 20 0 DBADRM Cn1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])cc1C(N)=O ZINC000037463212 392375421 /nfs/dbraw/zinc/37/54/21/392375421.db2.gz OMIQYCGQJUPRDT-MRVPVSSYSA-N -1 0 319.364 -0.728 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)N(C)CC(=O)[O-])CC1 ZINC000037465259 392375442 /nfs/dbraw/zinc/37/54/42/392375442.db2.gz BTIUIFIXWSJGEZ-UHFFFAOYSA-N -1 0 308.356 -0.477 20 0 DBADRM CC[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H](C)[S@@]1=O ZINC000286425388 131235690 /nfs/dbraw/zinc/23/56/90/131235690.db2.gz BKZYGECLXHUAJT-UAXAAPNGSA-N -1 0 318.424 -0.052 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000646912996 392385952 /nfs/dbraw/zinc/38/59/52/392385952.db2.gz SBJBVKRTPNGONL-QMMMGPOBSA-N -1 0 303.322 -0.639 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)[O-] ZINC000287062710 131262313 /nfs/dbraw/zinc/26/23/13/131262313.db2.gz AWEVCANOOUNYNE-ZETCQYMHSA-N -1 0 305.312 -0.977 20 0 DBADRM CCCCN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000037837242 392377244 /nfs/dbraw/zinc/37/72/44/392377244.db2.gz NYUIHZHNDMMNCY-UHFFFAOYSA-N -1 0 317.367 -0.001 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000037591691 392377909 /nfs/dbraw/zinc/37/79/09/392377909.db2.gz WSMBZOJLSXSSIP-MRVPVSSYSA-N -1 0 317.367 -0.002 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CF)C(=O)OC)o1 ZINC000287314162 131274475 /nfs/dbraw/zinc/27/44/75/131274475.db2.gz FCYFTNUTEORLBH-ZCFIWIBFSA-N -1 0 309.271 -0.144 20 0 DBADRM Cc1cc(S(=O)(=O)NCc2nnn(C)n2)sc1C(=O)[O-] ZINC000398118845 392380829 /nfs/dbraw/zinc/38/08/29/392380829.db2.gz FVRJTMIKJCQXFW-UHFFFAOYSA-N -1 0 317.352 -0.243 20 0 DBADRM CC(C)NC(=O)OC1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC000287976951 131309080 /nfs/dbraw/zinc/30/90/80/131309080.db2.gz BIZXNBSJZGWQHU-UHFFFAOYSA-N -1 0 315.355 -0.465 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1 ZINC000288315988 131320412 /nfs/dbraw/zinc/32/04/12/131320412.db2.gz SMBRTUMZGOHQGS-UHFFFAOYSA-N -1 0 313.310 -0.166 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cn(C)nc2C)C1=O ZINC000289301987 131371832 /nfs/dbraw/zinc/37/18/32/131371832.db2.gz ZQFBYWSAIHIVSM-NSHDSACASA-N -1 0 315.355 -0.358 20 0 DBADRM Cn1cnc(=NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)[n-]1 ZINC000647079737 392413535 /nfs/dbraw/zinc/41/35/35/392413535.db2.gz LYXWLZUSPFWZCG-UHFFFAOYSA-N -1 0 323.378 -0.419 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000558487318 392449016 /nfs/dbraw/zinc/44/90/16/392449016.db2.gz VJQUXPXZXSVGBP-UHFFFAOYSA-N -1 0 307.719 -0.729 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000092494255 392455469 /nfs/dbraw/zinc/45/54/69/392455469.db2.gz FCAURHFOMSAJRF-SECBINFHSA-N -1 0 308.356 -0.742 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000117740315 392523907 /nfs/dbraw/zinc/52/39/07/392523907.db2.gz OMRMTNFSFHLLGZ-UHFFFAOYSA-N -1 0 312.355 -0.101 20 0 DBADRM CCOC[C@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-] ZINC000290488868 131492726 /nfs/dbraw/zinc/49/27/26/131492726.db2.gz GUBIXQMDWUNSQC-JTQLQIEISA-N -1 0 304.324 -0.142 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1=O ZINC000583433805 392531306 /nfs/dbraw/zinc/53/13/06/392531306.db2.gz MCNRRJXBOVXUMC-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM COCCN(CCOC)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000402770475 392475890 /nfs/dbraw/zinc/47/58/90/392475890.db2.gz MVDFRELTUIJWSJ-LLVKDONJSA-N -1 0 314.342 -0.150 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CCOCC(F)F)CCS1(=O)=O ZINC000424243491 392477750 /nfs/dbraw/zinc/47/77/50/392477750.db2.gz NCBPNKCGRUHHSH-SSDOTTSWSA-N -1 0 315.294 -0.632 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cncc(-n2ccnn2)c1 ZINC000647204508 392480901 /nfs/dbraw/zinc/48/09/01/392480901.db2.gz QSJPNNTYFCUOPS-UHFFFAOYSA-N -1 0 305.294 -0.165 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000647204105 392481248 /nfs/dbraw/zinc/48/12/48/392481248.db2.gz QEDCFXYCDWOPMI-MRVPVSSYSA-N -1 0 317.367 -0.132 20 0 DBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000040699799 392482446 /nfs/dbraw/zinc/48/24/46/392482446.db2.gz FISPELRHDGQCIK-VIFPVBQESA-N -1 0 317.319 -0.428 20 0 DBADRM O=C([O-])CNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000647209202 392484085 /nfs/dbraw/zinc/48/40/85/392484085.db2.gz XVLYMMDLLLBZPX-UHFFFAOYSA-N -1 0 307.266 -0.995 20 0 DBADRM O=C(CN1CCCCCCC1=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000370856361 392507407 /nfs/dbraw/zinc/50/74/07/392507407.db2.gz LBIYQLVTIVWKIL-NSHDSACASA-N -1 0 322.369 -0.108 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000427755626 392553084 /nfs/dbraw/zinc/55/30/84/392553084.db2.gz GQBCCNVIUWVRTQ-UHFFFAOYSA-N -1 0 307.372 -0.775 20 0 DBADRM COc1ccc(C(=O)NCC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000427981497 392564568 /nfs/dbraw/zinc/56/45/68/392564568.db2.gz FSVUGDKVVLCFFW-GFCCVEGCSA-N -1 0 322.317 -0.263 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(C(N)=O)cn1 ZINC000643850517 392573435 /nfs/dbraw/zinc/57/34/35/392573435.db2.gz TYXNGXXMXYDPEW-AWEZNQCLSA-N -1 0 307.306 -0.114 20 0 DBADRM COCCN(CCOC)S(=O)(=O)NCc1ncccc1O ZINC000360024775 392581877 /nfs/dbraw/zinc/58/18/77/392581877.db2.gz QAWHTWDXRWJUKH-UHFFFAOYSA-N -1 0 319.383 -0.284 20 0 DBADRM O=C(CNC(=O)c1nn(-c2ccccc2F)cc1[O-])NCCO ZINC000448267065 392595269 /nfs/dbraw/zinc/59/52/69/392595269.db2.gz JXKCPAVTEQCFKE-UHFFFAOYSA-N -1 0 322.296 -0.445 20 0 DBADRM CC(C)CO[N-]C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000153431701 392596457 /nfs/dbraw/zinc/59/64/57/392596457.db2.gz KXLVVKCTNIOLTF-UHFFFAOYSA-N -1 0 309.326 -0.863 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000647488541 392596677 /nfs/dbraw/zinc/59/66/77/392596677.db2.gz APVOAWQFJGKSSU-NSHDSACASA-N -1 0 319.317 -0.110 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)NC2(C(=O)[O-])CCC2)CC1 ZINC000164795749 392599848 /nfs/dbraw/zinc/59/98/48/392599848.db2.gz UWMPGRHFHPHNPD-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM CC(C)CCS(=O)(=O)N1Cc2nncn2C[C@H]1C(=O)[O-] ZINC000643972748 392604535 /nfs/dbraw/zinc/60/45/35/392604535.db2.gz YTVGOIVOOVQDBL-VIFPVBQESA-N -1 0 302.356 -0.077 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCC(=O)N2CCOCC2)nc1 ZINC000317567841 392610556 /nfs/dbraw/zinc/61/05/56/392610556.db2.gz ODHGILAASBRPAT-UHFFFAOYSA-N -1 0 307.306 -0.242 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C[C@H]2CCCCO2)CCS1(=O)=O ZINC000424231664 392665087 /nfs/dbraw/zinc/66/50/87/392665087.db2.gz BKFUJOCESOKJSW-NXEZZACHSA-N -1 0 305.352 -0.344 20 0 DBADRM CCOCC1(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000424230542 392665112 /nfs/dbraw/zinc/66/51/12/392665112.db2.gz AAPJXASFVXCXNW-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM Cc1ncsc1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424231624 392665137 /nfs/dbraw/zinc/66/51/37/392665137.db2.gz BHYUUCWZMDFUSB-SSDOTTSWSA-N -1 0 304.349 -0.225 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C[C@@H]2CCCCO2)CCS1(=O)=O ZINC000424231668 392665165 /nfs/dbraw/zinc/66/51/65/392665165.db2.gz BKFUJOCESOKJSW-VHSXEESVSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)CCS1(=O)=O ZINC000424234680 392665186 /nfs/dbraw/zinc/66/51/86/392665186.db2.gz FKNOMMFPWAOAPK-MRVPVSSYSA-N -1 0 306.727 -0.008 20 0 DBADRM CC[C@@H]1CC[C@@H](C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)O1 ZINC000424237104 392665608 /nfs/dbraw/zinc/66/56/08/392665608.db2.gz HNPMMSGMPRILDU-UTLUCORTSA-N -1 0 305.352 -0.346 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H](O)C2CCCCC2)CCS1(=O)=O ZINC000424255746 392667450 /nfs/dbraw/zinc/66/74/50/392667450.db2.gz ZXGSKKXSSYCVAK-QWRGUYRKSA-N -1 0 319.379 -0.362 20 0 DBADRM CC(C)c1cc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)[nH]n1 ZINC000424247809 392667485 /nfs/dbraw/zinc/66/74/85/392667485.db2.gz RCOGSXKHFTVRNU-SNVBAGLBSA-N -1 0 315.351 -0.143 20 0 DBADRM CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424265738 392667697 /nfs/dbraw/zinc/66/76/97/392667697.db2.gz VVRNSKYATLUVLZ-VWYCJHECSA-N -1 0 319.379 -0.242 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccco2)CCS1(=O)=O ZINC000424368830 392668548 /nfs/dbraw/zinc/66/85/48/392668548.db2.gz QPDVJTIJYWIRID-ZETCQYMHSA-N -1 0 309.321 -0.848 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)o1 ZINC000424373056 392668639 /nfs/dbraw/zinc/66/86/39/392668639.db2.gz XHWMWAPZSFVHSB-QMMMGPOBSA-N -1 0 323.348 -0.540 20 0 DBADRM CCC[C@H](CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)OC ZINC000424397309 392668788 /nfs/dbraw/zinc/66/87/88/392668788.db2.gz JOWZXULVWSAGDK-ZJUUUORDSA-N -1 0 322.383 -0.305 20 0 DBADRM CCC[C@@H](CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)OC ZINC000424397306 392668811 /nfs/dbraw/zinc/66/88/11/392668811.db2.gz JOWZXULVWSAGDK-UWVGGRQHSA-N -1 0 322.383 -0.305 20 0 DBADRM CC(C)CCS(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424374513 392668817 /nfs/dbraw/zinc/66/88/17/392668817.db2.gz ZGMBSBXQESCVJW-VIFPVBQESA-N -1 0 313.397 -0.454 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N2CCSCC2)CCS1(=O)=O ZINC000424371822 392669019 /nfs/dbraw/zinc/66/90/19/392669019.db2.gz VRZMQQQMGBZKLS-QMMMGPOBSA-N -1 0 308.381 -0.661 20 0 DBADRM C[C@@H]1CC[C@H](CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)O1 ZINC000424400036 392670364 /nfs/dbraw/zinc/67/03/64/392670364.db2.gz SKLQGCRAZJRTDD-OPRDCNLKSA-N -1 0 320.367 -0.553 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NCc1nnnn1C1CC1)C(=O)[O-] ZINC000644202001 392693415 /nfs/dbraw/zinc/69/34/15/392693415.db2.gz BWDOCHHNCZKAGM-UHFFFAOYSA-N -1 0 324.341 -0.759 20 0 DBADRM COC[C@@H](NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C1CC1 ZINC000424404447 392670472 /nfs/dbraw/zinc/67/04/72/392670472.db2.gz GLIPHXMNHBMDFW-NXEZZACHSA-N -1 0 320.367 -0.695 20 0 DBADRM CO[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C1CC1 ZINC000424401242 392670754 /nfs/dbraw/zinc/67/07/54/392670754.db2.gz YXEGATDMQKXESW-NXEZZACHSA-N -1 0 320.367 -0.695 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@H]2CCCS2)CCS1(=O)=O ZINC000424404458 392670822 /nfs/dbraw/zinc/67/08/22/392670822.db2.gz GMCMWEWIKTWKBM-RKDXNWHRSA-N -1 0 322.408 -0.225 20 0 DBADRM CC[C@@H](COC)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424406955 392670830 /nfs/dbraw/zinc/67/08/30/392670830.db2.gz KCXBMSFCRBHIFY-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM O=C([O-])[C@@H]1CN(c2cncc(-n3cccn3)n2)CCS1(=O)=O ZINC000424468631 392671824 /nfs/dbraw/zinc/67/18/24/392671824.db2.gz JVQQYXVEIBLRSS-VIFPVBQESA-N -1 0 323.334 -0.650 20 0 DBADRM CC(C)(O)CCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424456068 392672034 /nfs/dbraw/zinc/67/20/34/392672034.db2.gz VZDXQJGGVNDHEC-MRVPVSSYSA-N -1 0 308.356 -0.959 20 0 DBADRM COCc1nc(C)cc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424472703 392672110 /nfs/dbraw/zinc/67/21/10/392672110.db2.gz PKEHIGBSOGXJBT-SECBINFHSA-N -1 0 315.351 -0.381 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCC2(O)CCC2)CCS1(=O)=O ZINC000424443212 392672904 /nfs/dbraw/zinc/67/29/04/392672904.db2.gz ARVSESANHONYEQ-SECBINFHSA-N -1 0 320.367 -0.815 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000491272858 392676973 /nfs/dbraw/zinc/67/69/73/392676973.db2.gz HSICIBNEHZCXIB-UHFFFAOYSA-N -1 0 305.312 -0.158 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@H]2C2CCC2)CCO1 ZINC000644202655 392694486 /nfs/dbraw/zinc/69/44/86/392694486.db2.gz ACADFTJSGHUMSV-SRVKXCTJSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000647503742 392620517 /nfs/dbraw/zinc/62/05/17/392620517.db2.gz GGMJJGNPAODTBQ-YFKTTZPYSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1C(=O)[O-] ZINC000647503961 392622204 /nfs/dbraw/zinc/62/22/04/392622204.db2.gz YQVHZGNNBRHGDG-WYUUTHIRSA-N -1 0 310.350 -0.055 20 0 DBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccccc2F)n1 ZINC000174010291 392626528 /nfs/dbraw/zinc/62/65/28/392626528.db2.gz RFZVHVAMSSZLSU-UHFFFAOYSA-N -1 0 313.314 -0.036 20 0 DBADRM CCc1nn(C)cc1CN1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000644182451 392632399 /nfs/dbraw/zinc/63/23/99/392632399.db2.gz FTODKZZMPMKMAC-SNVBAGLBSA-N -1 0 306.326 -0.251 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NC[C@@H]2CCCO2)CCOCC1 ZINC000647577496 392645891 /nfs/dbraw/zinc/64/58/91/392645891.db2.gz HGSRWXQWEAZCLN-JTQLQIEISA-N -1 0 314.338 -0.721 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647581870 392647747 /nfs/dbraw/zinc/64/77/47/392647747.db2.gz QZMHZZREHMUATQ-SNVBAGLBSA-N -1 0 316.354 -0.617 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000647581348 392647754 /nfs/dbraw/zinc/64/77/54/392647754.db2.gz ZJAWKCHLGPAZIK-SKDRFNHKSA-N -1 0 320.349 -0.030 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC000647584210 392647840 /nfs/dbraw/zinc/64/78/40/392647840.db2.gz XEMNQWPBYSBDJK-DVVUODLYSA-N -1 0 320.349 -0.247 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)OC ZINC000647588399 392649376 /nfs/dbraw/zinc/64/93/76/392649376.db2.gz RBZWXAXFHVODRY-AEJSXWLSSA-N -1 0 302.327 -0.867 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NCCCC(=O)[O-] ZINC000647589895 392649414 /nfs/dbraw/zinc/64/94/14/392649414.db2.gz KSAIYTSUGZPXPW-BDAKNGLRSA-N -1 0 322.383 -0.753 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)OC ZINC000647588101 392649629 /nfs/dbraw/zinc/64/96/29/392649629.db2.gz FUVFPJWXSJFKKP-JTQLQIEISA-N -1 0 316.354 -0.523 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)C1 ZINC000647592572 392650815 /nfs/dbraw/zinc/65/08/15/392650815.db2.gz JXKMXGYGOGRFPR-JRPNMDOOSA-N -1 0 310.350 -0.005 20 0 DBADRM CCN(Cc1cn(C)nn1)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647591528 392650862 /nfs/dbraw/zinc/65/08/62/392650862.db2.gz BVZKUMLAHWFTRQ-VHSXEESVSA-N -1 0 323.353 -0.467 20 0 DBADRM CN(CCn1cccn1)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647591177 392651141 /nfs/dbraw/zinc/65/11/41/392651141.db2.gz QBWPADDOESPPQA-WDEREUQCSA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647592533 392651238 /nfs/dbraw/zinc/65/12/38/392651238.db2.gz IVKBTMNGWCVBTL-KXUCPTDWSA-N -1 0 311.338 -0.955 20 0 DBADRM CCN(C)S(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000647624245 392657329 /nfs/dbraw/zinc/65/73/29/392657329.db2.gz VYHAQGQHHTWYKV-VIFPVBQESA-N -1 0 317.371 -0.190 20 0 DBADRM COc1ccc(F)cc1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000647639546 392660683 /nfs/dbraw/zinc/66/06/83/392660683.db2.gz CWQMIWIZSWYVFH-LLVKDONJSA-N -1 0 307.299 -0.052 20 0 DBADRM COCC(=O)N[C@H](C(=O)Nc1cnn(CC(=O)[O-])c1)C(C)C ZINC000647746815 392837096 /nfs/dbraw/zinc/83/70/96/392837096.db2.gz MLXJJGGAOILGJR-LBPRGKRZSA-N -1 0 312.326 -0.307 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)CCC(=O)N2CCOCC2)cn1 ZINC000647746948 392837507 /nfs/dbraw/zinc/83/75/07/392837507.db2.gz OFEUAKNMHLPGCL-UHFFFAOYSA-N -1 0 310.310 -0.455 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC000644576277 392778688 /nfs/dbraw/zinc/77/86/88/392778688.db2.gz GHEVHDOEJPPCCK-GFCCVEGCSA-N -1 0 317.367 -0.051 20 0 DBADRM O=C([O-])C1(O)CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1 ZINC000644572988 392778739 /nfs/dbraw/zinc/77/87/39/392778739.db2.gz CTQGZOLCTVDKNX-SNVBAGLBSA-N -1 0 307.368 -0.203 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@H](CNC(=O)OC(C)(C)C)OC ZINC000497226454 392803860 /nfs/dbraw/zinc/80/38/60/392803860.db2.gz KMMBYXHYRBOSPR-QMMMGPOBSA-N -1 0 310.372 -0.008 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000390254188 392807184 /nfs/dbraw/zinc/80/71/84/392807184.db2.gz MYSLPUODMVONOE-SNVBAGLBSA-N -1 0 323.415 -0.028 20 0 DBADRM COCC(C)(C)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000644800992 392808734 /nfs/dbraw/zinc/80/87/34/392808734.db2.gz JVNJGLQKLQGCPX-UHFFFAOYSA-N -1 0 311.342 -0.534 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000647755960 392842914 /nfs/dbraw/zinc/84/29/14/392842914.db2.gz RLNLOTOAGDYFKY-OUAUKWLOSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000221696928 392824093 /nfs/dbraw/zinc/82/40/93/392824093.db2.gz PAZQIEJVHWYOGH-OPRDCNLKSA-N -1 0 308.356 -0.874 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)cc1C(=O)[O-] ZINC000020551103 392825814 /nfs/dbraw/zinc/82/58/14/392825814.db2.gz QFWCVJKZUXPERI-MRVPVSSYSA-N -1 0 315.351 -0.391 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCC[C@@H](CC(=O)[O-])C2)S1(=O)=O ZINC000647727962 392827424 /nfs/dbraw/zinc/82/74/24/392827424.db2.gz NCNGOJLWLBMHIB-UWVGGRQHSA-N -1 0 304.368 -0.266 20 0 DBADRM CC(=O)NCCNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000273760318 392834835 /nfs/dbraw/zinc/83/48/35/392834835.db2.gz OYJZMABALVBUEZ-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM C[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@@H]1C(=O)[O-] ZINC000647743526 392835911 /nfs/dbraw/zinc/83/59/11/392835911.db2.gz LNKJITRZLISTSU-UTLUCORTSA-N -1 0 304.368 -0.268 20 0 DBADRM C[C@@H]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1C(=O)[O-] ZINC000647743524 392836130 /nfs/dbraw/zinc/83/61/30/392836130.db2.gz LNKJITRZLISTSU-OPRDCNLKSA-N -1 0 304.368 -0.268 20 0 DBADRM CC(C)C[C@H](CNC(=O)[C@@H]1CCN(C)S1(=O)=O)C(=O)[O-] ZINC000647743573 392836155 /nfs/dbraw/zinc/83/61/55/392836155.db2.gz NHECXBLUKKWNSG-ZJUUUORDSA-N -1 0 306.384 -0.117 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000261688902 392899088 /nfs/dbraw/zinc/89/90/88/392899088.db2.gz MUQHSZXYNJXRQV-QMMMGPOBSA-N -1 0 317.323 -0.176 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CC[NH2+]CC2(C)C)cn1 ZINC000647841310 392904753 /nfs/dbraw/zinc/90/47/53/392904753.db2.gz IYOLKEZQLLLURH-UHFFFAOYSA-N -1 0 312.395 -0.186 20 0 DBADRM CCNC(=O)CN1CCCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000647895852 392919783 /nfs/dbraw/zinc/91/97/83/392919783.db2.gz LPHRXMQCZANHMK-UHFFFAOYSA-N -1 0 315.399 -0.758 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000262424200 392850613 /nfs/dbraw/zinc/85/06/13/392850613.db2.gz GULNKGKRBYBKST-UHFFFAOYSA-N -1 0 321.380 -0.215 20 0 DBADRM Cc1ccn(CC(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c(=O)c1 ZINC000647769460 392859854 /nfs/dbraw/zinc/85/98/54/392859854.db2.gz YKLWHIDGPOATJL-CYBMUJFWSA-N -1 0 304.306 -0.168 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CCCNC(=O)C1CC1)C(=O)[O-] ZINC000647773598 392872555 /nfs/dbraw/zinc/87/25/55/392872555.db2.gz BGTIQFFDAVBHNK-LBPRGKRZSA-N -1 0 308.338 -0.032 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000647780788 392876405 /nfs/dbraw/zinc/87/64/05/392876405.db2.gz NPLACJZVPVILPR-UHFFFAOYSA-N -1 0 318.355 -0.238 20 0 DBADRM COC(=O)CN(CC(=O)[N-]OCc1ccccc1)CC(=O)OC ZINC000271375250 392930164 /nfs/dbraw/zinc/93/01/64/392930164.db2.gz NYQBUSYOMSHUOV-UHFFFAOYSA-N -1 0 324.333 -0.118 20 0 DBADRM CC(C)(CO)O[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000297125525 132000666 /nfs/dbraw/zinc/00/06/66/132000666.db2.gz HFDHELSWIOMAOH-GFCCVEGCSA-N -1 0 320.349 -0.075 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)[N-]OC)cc1 ZINC000298123000 132047774 /nfs/dbraw/zinc/04/77/74/132047774.db2.gz UPXGPHRZKMTVQB-UHFFFAOYSA-N -1 0 316.335 -0.181 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCOCCO ZINC000298323349 132056656 /nfs/dbraw/zinc/05/66/56/132056656.db2.gz KIHCAGKEFZZZCE-UHFFFAOYSA-N -1 0 302.352 -0.203 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)[O-])c1 ZINC000299247056 132094925 /nfs/dbraw/zinc/09/49/25/132094925.db2.gz BLQOPHBIXLGKAC-UHFFFAOYSA-N -1 0 304.299 -0.110 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cs1 ZINC000274951918 392940356 /nfs/dbraw/zinc/94/03/56/392940356.db2.gz STQSKHBYRNMMEM-LURJTMIESA-N -1 0 309.321 -0.742 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1C ZINC000274946779 392940522 /nfs/dbraw/zinc/94/05/22/392940522.db2.gz RVWOOKUMTCZTPB-SNVBAGLBSA-N -1 0 317.319 -0.495 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-])CC1 ZINC000042702547 132151312 /nfs/dbraw/zinc/15/13/12/132151312.db2.gz MVFISSGDKFXNAH-SECBINFHSA-N -1 0 322.383 -0.231 20 0 DBADRM CNC(=O)N1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000277039952 392948453 /nfs/dbraw/zinc/94/84/53/392948453.db2.gz DUVVDGBWECDIQV-UHFFFAOYSA-N -1 0 324.303 -0.073 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000282132121 392951812 /nfs/dbraw/zinc/95/18/12/392951812.db2.gz IPWCEVDTTWLLIC-RCOVLWMOSA-N -1 0 317.305 -0.310 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000532003404 392978431 /nfs/dbraw/zinc/97/84/31/392978431.db2.gz XNTWJVCORJXEMT-QWRGUYRKSA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000532003402 392978715 /nfs/dbraw/zinc/97/87/15/392978715.db2.gz XNTWJVCORJXEMT-GHMZBOCLSA-N -1 0 319.379 -0.097 20 0 DBADRM COC[C@@](C)([N-]S(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)OC ZINC000340909133 392981890 /nfs/dbraw/zinc/98/18/90/392981890.db2.gz APBOKXMDLRTGIP-LDYMZIIASA-N -1 0 311.356 -0.707 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](N=c2ncnc3[nH][nH]cc2-3)C1=O ZINC000416438212 393007046 /nfs/dbraw/zinc/00/70/46/393007046.db2.gz AHJJSXQTYUKSQA-NXEZZACHSA-N -1 0 318.337 -0.152 20 0 DBADRM C[C@H]1CN(S(=O)(=O)[N-]CC(F)(F)F)[C@@H](C)CN1CCO ZINC000416650220 393014291 /nfs/dbraw/zinc/01/42/91/393014291.db2.gz AINUFTCBQBNSMK-IUCAKERBSA-N -1 0 319.349 -0.230 20 0 DBADRM CC(C)[C@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)[O-] ZINC000428043854 393026589 /nfs/dbraw/zinc/02/65/89/393026589.db2.gz IDWSRYXDMGZBJF-PUUHTONNSA-N -1 0 311.338 -0.020 20 0 DBADRM COC(=O)[C@@H](CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)OC ZINC000347870480 393099153 /nfs/dbraw/zinc/09/91/53/393099153.db2.gz WAAGEZUQCMQVGA-MRVPVSSYSA-N -1 0 322.277 -0.646 20 0 DBADRM CCNS(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417445513 393046943 /nfs/dbraw/zinc/04/69/43/393046943.db2.gz HGFCCWGQAZKFSM-DTWKUNHWSA-N -1 0 307.372 -0.860 20 0 DBADRM CC(C)NS(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417448590 393047793 /nfs/dbraw/zinc/04/77/93/393047793.db2.gz VHPCRXFBLCBVQK-VHSXEESVSA-N -1 0 321.399 -0.471 20 0 DBADRM Cn1c2ccc(NC(=O)CN3CC(=O)NC3=O)cc2oc1=O ZINC000348826609 393170169 /nfs/dbraw/zinc/17/01/69/393170169.db2.gz HPNNBHYCRYTCOK-UHFFFAOYSA-N -1 0 304.262 -0.378 20 0 DBADRM COC(=O)C[C@@H](C)CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000348270174 393135139 /nfs/dbraw/zinc/13/51/39/393135139.db2.gz TWHYPWSFVSKLHK-LURJTMIESA-N -1 0 304.328 -0.264 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2cnn(-c3ncccn3)c2)c1[O-] ZINC000348582279 393161761 /nfs/dbraw/zinc/16/17/61/393161761.db2.gz PYURRFUKQNZBIJ-VIFPVBQESA-N -1 0 316.277 -0.350 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)CC(=O)NCC2CCC2)[n-]1 ZINC000350239165 393233958 /nfs/dbraw/zinc/23/39/58/393233958.db2.gz HQVQVFRIDJWPDZ-UHFFFAOYSA-N -1 0 315.351 -0.114 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)N2CCN(CCO)CC2)s[n-]1 ZINC000350655416 393243742 /nfs/dbraw/zinc/24/37/42/393243742.db2.gz WTPYYOBZQYRHMC-VIFPVBQESA-N -1 0 315.399 -0.191 20 0 DBADRM C[C@@](O)(CNC(=O)c1cccc(C(=O)N2CCCC2)n1)C(=O)[O-] ZINC000349045892 393186939 /nfs/dbraw/zinc/18/69/39/393186939.db2.gz BHQRBJKIINICKA-OAHLLOKOSA-N -1 0 321.333 -0.117 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])nn1 ZINC000349057994 393188907 /nfs/dbraw/zinc/18/89/07/393188907.db2.gz VWEVGCNBRQMVRW-CYBMUJFWSA-N -1 0 312.326 -0.541 20 0 DBADRM CCn1nc(C(=O)NC[C@@](C)(O)C(=O)[O-])c(=O)c2ccccc21 ZINC000349082377 393189977 /nfs/dbraw/zinc/18/99/77/393189977.db2.gz LRTGOVSDIVABRA-OAHLLOKOSA-N -1 0 319.317 -0.018 20 0 DBADRM C[C@@](O)(CNC(=O)COc1ccc2c(c1)CCC(=O)N2)C(=O)[O-] ZINC000349102585 393192068 /nfs/dbraw/zinc/19/20/68/393192068.db2.gz LPEAERKAIBDPKY-OAHLLOKOSA-N -1 0 322.317 -0.098 20 0 DBADRM C[C@@H](CNS(=O)(=O)[N-]CC(F)(F)F)N1CCOCC1 ZINC000192013317 393266640 /nfs/dbraw/zinc/26/66/40/393266640.db2.gz YBGSEXSNOZZHOI-QMMMGPOBSA-N -1 0 305.322 -0.307 20 0 DBADRM Cc1ccc(-n2[n-]nnc2=NC[C@H]2CS(=O)(=O)CCO2)cc1 ZINC000351504407 393276081 /nfs/dbraw/zinc/27/60/81/393276081.db2.gz JKAMWYIGWRJKTH-LBPRGKRZSA-N -1 0 323.378 -0.382 20 0 DBADRM CN(CCO)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000352608945 393389431 /nfs/dbraw/zinc/38/94/31/393389431.db2.gz CUOUIMZUUNTOOF-UHFFFAOYSA-N -1 0 308.306 -0.306 20 0 DBADRM COc1n[nH]c(NC(=O)c2coc(S(=O)(=O)N(C)C)c2)n1 ZINC000352644019 393393693 /nfs/dbraw/zinc/39/36/93/393393693.db2.gz CPBYVFKYDUYPQX-UHFFFAOYSA-N -1 0 315.311 -0.091 20 0 DBADRM COc1n[nH]c(NC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)n1 ZINC000352643522 393393745 /nfs/dbraw/zinc/39/37/45/393393745.db2.gz KAANEIRGZMNFRT-ZETCQYMHSA-N -1 0 318.355 -0.266 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000352686734 393396988 /nfs/dbraw/zinc/39/69/88/393396988.db2.gz PJZCSGYZAOQJOB-VIFPVBQESA-N -1 0 323.280 -0.019 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000352038205 393342650 /nfs/dbraw/zinc/34/26/50/393342650.db2.gz FSFKXFPRIDPYAV-ZDUSSCGKSA-N -1 0 318.337 -0.774 20 0 DBADRM CS(=O)(=O)NC1CC(NS(=O)(=O)c2cscn2)C1 ZINC000645697535 393494155 /nfs/dbraw/zinc/49/41/55/393494155.db2.gz NXJFITYOHBOJHY-UHFFFAOYSA-N -1 0 311.410 -0.498 20 0 DBADRM CN1C(=O)C[C@H](NS(=O)(=O)CCC[C@@H]2CCOC2)C1=O ZINC000645696046 393494261 /nfs/dbraw/zinc/49/42/61/393494261.db2.gz PBXXEELSLVOUOY-ZJUUUORDSA-N -1 0 304.368 -0.520 20 0 DBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N(C)CC(=O)[O-] ZINC000037438199 393501658 /nfs/dbraw/zinc/50/16/58/393501658.db2.gz SUSHMOHMLHODDO-MRVPVSSYSA-N -1 0 312.413 -0.410 20 0 DBADRM C[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000037417395 393501963 /nfs/dbraw/zinc/50/19/63/393501963.db2.gz CHKDUKKSUAYDBG-LURJTMIESA-N -1 0 308.337 -0.915 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NC[C@@](C)(O)CO)c1 ZINC000424813203 393511064 /nfs/dbraw/zinc/51/10/64/393511064.db2.gz PKXYLUHTJZCJOA-ZUOKHONESA-N -1 0 301.364 -0.338 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])o1 ZINC000275089452 292015650 /nfs/dbraw/zinc/01/56/50/292015650.db2.gz JYJVXBLSIRNPCE-SSDOTTSWSA-N -1 0 319.291 -0.460 20 0 DBADRM COC(=O)[C@]1(C)CN(C(=O)C(=O)NCCC(=O)[O-])C[C@H]1C ZINC000420605096 393593356 /nfs/dbraw/zinc/59/33/56/393593356.db2.gz ZZQDDUIZYKGRGM-AMIZOPFISA-N -1 0 300.311 -0.765 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@H](C(=O)[O-])C(C)C ZINC000261746468 393595798 /nfs/dbraw/zinc/59/57/98/393595798.db2.gz VTKKWDVCDWRTDD-JTQLQIEISA-N -1 0 312.388 -0.475 20 0 DBADRM CCc1nnsc1C(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424230486 393635304 /nfs/dbraw/zinc/63/53/04/393635304.db2.gz ABHOTPCNJPQHAA-LURJTMIESA-N -1 0 324.322 -0.493 20 0 DBADRM Cc1ccc(C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])n1C ZINC000424233930 393635996 /nfs/dbraw/zinc/63/59/96/393635996.db2.gz QLEQAPHMJHRWJP-VIFPVBQESA-N -1 0 305.294 -0.260 20 0 DBADRM CCOC(=O)C1(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000424247299 393636059 /nfs/dbraw/zinc/63/60/59/393636059.db2.gz QOUBJVDQNKYSSF-MRVPVSSYSA-N -1 0 319.335 -0.960 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCCCF ZINC000424383088 393637717 /nfs/dbraw/zinc/63/77/17/393637717.db2.gz AKKLMWWKMUWHHF-SSDOTTSWSA-N -1 0 322.318 -0.668 20 0 DBADRM CN(C)c1nccc(CN2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])n1 ZINC000424414596 393639498 /nfs/dbraw/zinc/63/94/98/393639498.db2.gz QTXGDKQOKUSEHN-SECBINFHSA-N -1 0 319.325 -0.691 20 0 DBADRM CC(C)(CCNC(=O)NCCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000424414535 393639606 /nfs/dbraw/zinc/63/96/06/393639606.db2.gz SNFPSHKSOODSHU-UHFFFAOYSA-N -1 0 314.342 -0.272 20 0 DBADRM CSC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424410940 393639638 /nfs/dbraw/zinc/63/96/38/393639638.db2.gz NXDCLSYJSXVWDY-JGVFFNPUSA-N -1 0 310.397 -0.369 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCO1 ZINC000424428131 393639928 /nfs/dbraw/zinc/63/99/28/393639928.db2.gz WUSIWVYWMKRRTH-MNOVXSKESA-N -1 0 315.370 -0.110 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NCC(=O)N1CCCC1)C(=O)[O-] ZINC000424464447 393640591 /nfs/dbraw/zinc/64/05/91/393640591.db2.gz IFDLBVUERFMUJL-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCn2ncnc2C1)C(=O)[O-] ZINC000424475304 393642685 /nfs/dbraw/zinc/64/26/85/393642685.db2.gz BMVSROSIGZZSEB-SNVBAGLBSA-N -1 0 323.353 -0.517 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424485638 393643574 /nfs/dbraw/zinc/64/35/74/393643574.db2.gz YRFNQEOFOCFDNV-VIFPVBQESA-N -1 0 314.338 -0.375 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424482278 393644057 /nfs/dbraw/zinc/64/40/57/393644057.db2.gz MQEUHNSSYGCYTR-SNVBAGLBSA-N -1 0 315.370 -0.556 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@](F)(CO)C1)C(=O)[O-] ZINC000424486004 393644360 /nfs/dbraw/zinc/64/43/60/393644360.db2.gz DPWCKZWPCUCOGL-YGRLFVJLSA-N -1 0 318.345 -0.218 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CCC[C@H]1CCO)C(=O)[O-] ZINC000424489119 393645144 /nfs/dbraw/zinc/64/51/44/393645144.db2.gz ORYQSECSHIFVNP-JTQLQIEISA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CCO1 ZINC000424488862 393645211 /nfs/dbraw/zinc/64/52/11/393645211.db2.gz NLYBEIYOWQLUCC-NXEZZACHSA-N -1 0 316.354 -0.788 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N[C@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC000424529730 393646318 /nfs/dbraw/zinc/64/63/18/393646318.db2.gz ZYGWCXNSDOEFIC-UWVGGRQHSA-N -1 0 313.354 -0.804 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424524357 393646405 /nfs/dbraw/zinc/64/64/05/393646405.db2.gz VCXMEOASNPDWNM-JTQLQIEISA-N -1 0 315.370 -0.508 20 0 DBADRM Cn1nnc(CNC(=O)c2ccccc2[N-]S(C)(=O)=O)n1 ZINC000428517415 393675558 /nfs/dbraw/zinc/67/55/58/393675558.db2.gz PTLDYZSIDRPWCN-UHFFFAOYSA-N -1 0 310.339 -0.488 20 0 DBADRM CN(CCn1cccn1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000645968509 393736347 /nfs/dbraw/zinc/73/63/47/393736347.db2.gz VROIMSCTRNVEML-SNVBAGLBSA-N -1 0 302.356 -0.391 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCOC[C@@H]1CCCO1 ZINC000645958738 393736837 /nfs/dbraw/zinc/73/68/37/393736837.db2.gz FUMSQPPOSGTANG-JTQLQIEISA-N -1 0 310.372 -0.577 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000645981317 393737606 /nfs/dbraw/zinc/73/76/06/393737606.db2.gz IAQNYWZMPMQAEG-SNVBAGLBSA-N -1 0 317.371 -0.434 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC000645974397 393737942 /nfs/dbraw/zinc/73/79/42/393737942.db2.gz ZFYYIXPDZIGQTB-NSHDSACASA-N -1 0 322.383 -0.625 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCOC2(CCOCC2)C1 ZINC000645991473 393738890 /nfs/dbraw/zinc/73/88/90/393738890.db2.gz KQGZKZBYCFHRAK-UHFFFAOYSA-N -1 0 322.383 -0.481 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@](C)(COC)C(=O)[O-])cn1 ZINC000646029161 393741780 /nfs/dbraw/zinc/74/17/80/393741780.db2.gz BBEXDNPFQAPAGW-LLVKDONJSA-N -1 0 321.355 -0.703 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-] ZINC000646029262 393742078 /nfs/dbraw/zinc/74/20/78/393742078.db2.gz OMRSQPYHCFIFHG-LLVKDONJSA-N -1 0 303.340 -0.260 20 0 DBADRM Cn1nncc1S(=O)(=O)NC1(C(=O)[O-])CCSCC1 ZINC000646027811 393742092 /nfs/dbraw/zinc/74/20/92/393742092.db2.gz GGEZDJUEWZPYHK-UHFFFAOYSA-N -1 0 306.369 -0.556 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-])C1CC1 ZINC000646042334 393743187 /nfs/dbraw/zinc/74/31/87/393743187.db2.gz GPNSBHKZBCBYMD-WDEREUQCSA-N -1 0 307.368 -0.083 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cnnn2C)C1 ZINC000646044536 393743790 /nfs/dbraw/zinc/74/37/90/393743790.db2.gz GOTFUHIZRSBDOO-LLVKDONJSA-N -1 0 318.355 -0.683 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000646154705 393755539 /nfs/dbraw/zinc/75/55/39/393755539.db2.gz ARSVHKJAGZODRF-BDAKNGLRSA-N -1 0 309.326 -0.308 20 0 DBADRM CC[C@@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)C(=O)NC ZINC000646166323 393755544 /nfs/dbraw/zinc/75/55/44/393755544.db2.gz FUYGGHPJJYEOCO-SECBINFHSA-N -1 0 301.343 -0.308 20 0 DBADRM CCN1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1=O ZINC000646169071 393755574 /nfs/dbraw/zinc/75/55/74/393755574.db2.gz HOLOBUWDSLRNHL-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM Cn1cc(N2CCN(C(=O)NCCCC(=O)[O-])CC2=O)cn1 ZINC000646165418 393755602 /nfs/dbraw/zinc/75/56/02/393755602.db2.gz YHAMQHRQFAMOJY-UHFFFAOYSA-N -1 0 309.326 -0.357 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC000646178103 393756067 /nfs/dbraw/zinc/75/60/67/393756067.db2.gz ZDCXUOGRGNIMHT-HRDYMLBCSA-N -1 0 310.310 -0.815 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000646178557 393756298 /nfs/dbraw/zinc/75/62/98/393756298.db2.gz UJXRNMRBVVGNGS-IVZWLZJFSA-N -1 0 319.383 -0.298 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCCCO)cc-2c(=O)[n-]1 ZINC000429323719 393691583 /nfs/dbraw/zinc/69/15/83/393691583.db2.gz YDLIDQMGVWAXSK-UHFFFAOYSA-N -1 0 314.323 -0.513 20 0 DBADRM CN(C)c1ncc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cn1 ZINC000443462659 393715940 /nfs/dbraw/zinc/71/59/40/393715940.db2.gz HTSFPGAMBRTAHZ-UHFFFAOYSA-N -1 0 324.366 -0.219 20 0 DBADRM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000443519639 393718055 /nfs/dbraw/zinc/71/80/55/393718055.db2.gz PGCXJVDVUFRASM-NSHDSACASA-N -1 0 318.337 -0.024 20 0 DBADRM CCCCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@@H]([N@H+](C)CC(=O)[O-])C1 ZINC000487469126 393767267 /nfs/dbraw/zinc/76/72/67/393767267.db2.gz FJHHPCKBJRLVAX-FRRDWIJNSA-N -1 0 315.414 -0.257 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)OC)C1 ZINC000491488495 393814973 /nfs/dbraw/zinc/81/49/73/393814973.db2.gz MYUQIHCITQSOMU-VHSXEESVSA-N -1 0 322.383 -0.054 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)OC)C1 ZINC000491477008 393815179 /nfs/dbraw/zinc/81/51/79/393815179.db2.gz OSBHEIGGRRLGMT-JTQLQIEISA-N -1 0 322.383 -0.053 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])[C@H]1OC ZINC000420549836 286338528 /nfs/dbraw/zinc/33/85/28/286338528.db2.gz CBCMJQDNGKPIRF-IQJOONFLSA-N -1 0 302.327 -0.772 20 0 DBADRM CN(CC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000262805897 289468292 /nfs/dbraw/zinc/46/82/92/289468292.db2.gz ASLURJIQMOEHSX-NGZCFLSTSA-N -1 0 304.368 -0.411 20 0 DBADRM CN(CC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000262805898 289468303 /nfs/dbraw/zinc/46/83/03/289468303.db2.gz ASLURJIQMOEHSX-QXEWZRGKSA-N -1 0 304.368 -0.411 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000037492684 292490015 /nfs/dbraw/zinc/49/00/15/292490015.db2.gz GTOXNOHYNMKFEA-NSHDSACASA-N -1 0 324.399 -0.235 20 0 DBADRM CC[C@@H]1CC[C@H](C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])O1 ZINC000333580839 287105683 /nfs/dbraw/zinc/10/56/83/287105683.db2.gz NXEWUOVXIKXPGD-IWSPIJDZSA-N -1 0 310.310 -0.263 20 0 DBADRM C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C[C@H]1O ZINC000388001226 411634266 /nfs/dbraw/zinc/63/42/66/411634266.db2.gz GAVVPURXGHJUCN-RDDDGLTNSA-N -1 0 300.336 -0.151 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCCS(C)(=O)=O ZINC000650232806 411638273 /nfs/dbraw/zinc/63/82/73/411638273.db2.gz NUNQRTACRKEPJG-RKDXNWHRSA-N -1 0 313.397 -0.312 20 0 DBADRM CC[C@](C)(NC(=O)CC1(n2cnnn2)CCOCC1)C(=O)[O-] ZINC000659123973 411709309 /nfs/dbraw/zinc/70/93/09/411709309.db2.gz ACDHFHABFMKMCM-LBPRGKRZSA-N -1 0 311.342 -0.062 20 0 DBADRM CN(CC1=CCSC1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000662912460 411657328 /nfs/dbraw/zinc/65/73/28/411657328.db2.gz GRFYHTAQTYZOQC-SNVBAGLBSA-N -1 0 314.363 -0.570 20 0 DBADRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CCNC(=O)C1 ZINC000071415264 411657823 /nfs/dbraw/zinc/65/78/23/411657823.db2.gz PJLYBPPVBUMGPY-UHFFFAOYSA-N -1 0 304.349 -0.125 20 0 DBADRM CO[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000662911746 411658007 /nfs/dbraw/zinc/65/80/07/411658007.db2.gz HOZVARSUTXBLSG-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM O=C([O-])[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000663075128 411669489 /nfs/dbraw/zinc/66/94/89/411669489.db2.gz JUHYYTHOWCLHBA-VXGBXAGGSA-N -1 0 310.350 -0.053 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1 ZINC000663115646 411669759 /nfs/dbraw/zinc/66/97/59/411669759.db2.gz XTFPDCGPCHIZRJ-OAHLLOKOSA-N -1 0 311.382 -0.232 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000663129913 411670417 /nfs/dbraw/zinc/67/04/17/411670417.db2.gz ABHORGAQBKWYTR-LLVKDONJSA-N -1 0 308.356 -0.934 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1(C(=O)[O-])CC=CC1 ZINC000663126978 411670577 /nfs/dbraw/zinc/67/05/77/411670577.db2.gz FCPNAVWSHYTEIU-IUCAKERBSA-N -1 0 303.336 -0.664 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000663101889 411670841 /nfs/dbraw/zinc/67/08/41/411670841.db2.gz RIWWIRFOYYTUSH-IUCAKERBSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)[C@@H]1CCCS1(=O)=O ZINC000655391385 411676637 /nfs/dbraw/zinc/67/66/37/411676637.db2.gz JWPNLGLJPIQOIG-WDEREUQCSA-N -1 0 321.362 -0.018 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCC[C@H]2CCCO2)cn1 ZINC000038095919 411682727 /nfs/dbraw/zinc/68/27/27/411682727.db2.gz VXTSAUISWSGFKR-SECBINFHSA-N -1 0 303.340 -0.185 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NCCOCCF)CC1 ZINC000663631684 411682789 /nfs/dbraw/zinc/68/27/89/411682789.db2.gz VLSZMYZTZGBFRC-UHFFFAOYSA-N -1 0 304.318 -0.198 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CC[C@@](C)(O)C2)n1 ZINC000659054380 411688048 /nfs/dbraw/zinc/68/80/48/411688048.db2.gz PJPFIRVIJACLNR-CQSZACIVSA-N -1 0 324.337 -0.375 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1cncc(F)c1)C2 ZINC000659066493 411688852 /nfs/dbraw/zinc/68/88/52/411688852.db2.gz AATJQKIHXZCSKZ-XLKFXECMSA-N -1 0 323.280 -0.281 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)Cn2c(C)c(C)sc2=O)[n-]n1 ZINC000650815858 411690803 /nfs/dbraw/zinc/69/08/03/411690803.db2.gz CINNUJCJXNNMQB-UHFFFAOYSA-N -1 0 321.362 -0.263 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)CCNC(=O)CC(C)C)[n-]n1 ZINC000650816934 411691075 /nfs/dbraw/zinc/69/10/75/411691075.db2.gz MOCABMRMACETKB-UHFFFAOYSA-N -1 0 307.354 -0.251 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@H](C)Cc2cnn(C)c2)[n-]n1 ZINC000650819541 411691110 /nfs/dbraw/zinc/69/11/10/411691110.db2.gz XTAXKMCCYXIJDU-VIFPVBQESA-N -1 0 302.338 -0.191 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)CCOC2CCOCC2)[n-]n1 ZINC000650817478 411691327 /nfs/dbraw/zinc/69/13/27/411691327.db2.gz DUNAUNPGONKMKN-UHFFFAOYSA-N -1 0 308.338 -0.218 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000653316604 411737604 /nfs/dbraw/zinc/73/76/04/411737604.db2.gz RYLDSKQSXHQXET-PSASIEDQSA-N -1 0 309.326 -0.556 20 0 DBADRM COC[C@H](OC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000659147221 411737906 /nfs/dbraw/zinc/73/79/06/411737906.db2.gz ZEZGJXWHCQTKMX-UWVGGRQHSA-N -1 0 304.343 -0.621 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC000653311660 411738022 /nfs/dbraw/zinc/73/80/22/411738022.db2.gz YODFCHPIRGWQKS-NSHDSACASA-N -1 0 320.349 -0.193 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)NC1(CC(=O)[O-])CCC1 ZINC000653321477 411743171 /nfs/dbraw/zinc/74/31/71/411743171.db2.gz QWVKZCLNTOPKCP-UHFFFAOYSA-N -1 0 304.310 -0.078 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(C(=O)C2(n3cnnn3)CC2)C1 ZINC000659153699 411743723 /nfs/dbraw/zinc/74/37/23/411743723.db2.gz KHHBNJDXCNVDRU-GFCCVEGCSA-N -1 0 309.326 -0.498 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000390370539 411745942 /nfs/dbraw/zinc/74/59/42/411745942.db2.gz UNLBVTKTFQOMBI-DTWKUNHWSA-N -1 0 307.372 -0.522 20 0 DBADRM Cn1cnn(CC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c1=O ZINC000653323353 411751867 /nfs/dbraw/zinc/75/18/67/411751867.db2.gz RFJJPNUWVOYQRQ-HNNXBMFYSA-N -1 0 318.333 -0.260 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@H]2CCS(=O)(=O)N2)CCc2ccccc21 ZINC000652055813 411753411 /nfs/dbraw/zinc/75/34/11/411753411.db2.gz NJQCOFFRTUQXDX-RISCZKNCSA-N -1 0 324.358 -0.279 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1cccs1 ZINC000652068756 411753466 /nfs/dbraw/zinc/75/34/66/411753466.db2.gz ODQHPBJWOBKEIV-HTRCEHHLSA-N -1 0 304.349 -0.318 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)[C@H]2CCS(=O)(=O)N2)c1 ZINC000652058711 411753518 /nfs/dbraw/zinc/75/35/18/411753518.db2.gz CGGUSJVCXSAVRI-SNVBAGLBSA-N -1 0 314.319 -0.220 20 0 DBADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652055063 411753750 /nfs/dbraw/zinc/75/37/50/411753750.db2.gz TZUCGSQCLONCPN-RYUDHWBXSA-N -1 0 324.358 -0.284 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652056995 411754076 /nfs/dbraw/zinc/75/40/76/411754076.db2.gz PMFMCRHMBJRYJB-JGVFFNPUSA-N -1 0 308.381 -0.903 20 0 DBADRM C[C@@](NC(=O)[C@@H]1CCS(=O)(=O)N1)(C(=O)[O-])c1ccccc1 ZINC000652056066 411754087 /nfs/dbraw/zinc/75/40/87/411754087.db2.gz VEDKZUNFQQZNHX-GWCFXTLKSA-N -1 0 312.347 -0.206 20 0 DBADRM COCC[C@H](NC(=O)C1(n2cnnn2)CCCCC1)C(=O)[O-] ZINC000652068710 411754354 /nfs/dbraw/zinc/75/43/54/411754354.db2.gz LYEKKUZLFUVQBM-JTQLQIEISA-N -1 0 311.342 -0.062 20 0 DBADRM COC1(C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)C(=O)[O-])CCC1 ZINC000652106260 411758420 /nfs/dbraw/zinc/75/84/20/411758420.db2.gz DHYLIQBWBHGCAW-RKDXNWHRSA-N -1 0 307.368 -0.052 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)[n-]1 ZINC000651585137 411761656 /nfs/dbraw/zinc/76/16/56/411761656.db2.gz ISZUREQQKHFTTI-WDEREUQCSA-N -1 0 309.370 -0.113 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@H]2C[C@@H](C)O)[n-]1 ZINC000651634741 411766290 /nfs/dbraw/zinc/76/62/90/411766290.db2.gz AHIMLADBSOZGRX-MNOVXSKESA-N -1 0 309.370 -0.019 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)[n-]1 ZINC000651684992 411768669 /nfs/dbraw/zinc/76/86/69/411768669.db2.gz FBAXPDFYNFVHFI-UWVGGRQHSA-N -1 0 322.369 -0.668 20 0 DBADRM CC[C@]1(CO)CCCN1C(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651740575 411772369 /nfs/dbraw/zinc/77/23/69/411772369.db2.gz FAHIUXXSRMFAQD-CQSZACIVSA-N -1 0 309.370 -0.017 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CNC(=O)c1cccc(F)c1 ZINC000659173375 411774359 /nfs/dbraw/zinc/77/43/59/411774359.db2.gz AWKHWGSVIKFTRW-CMPLNLGQSA-N -1 0 310.281 -0.086 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCOCC(F)(F)C2)[n-]1 ZINC000651807255 411778451 /nfs/dbraw/zinc/77/84/51/411778451.db2.gz TXUZOTFLIDFUAO-UHFFFAOYSA-N -1 0 317.296 -0.287 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C(=O)C3CC3)C2)[n-]1 ZINC000651855509 411779231 /nfs/dbraw/zinc/77/92/31/411779231.db2.gz ASNOISMSYGGXRX-UHFFFAOYSA-N -1 0 320.353 -0.742 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC000653304597 411724914 /nfs/dbraw/zinc/72/49/14/411724914.db2.gz QRWDPHCLBRPZRW-MFKMUULPSA-N -1 0 316.379 -0.052 20 0 DBADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@H]1CCS(=O)(=O)N1 ZINC000651226586 411725071 /nfs/dbraw/zinc/72/50/71/411725071.db2.gz GXZFHLMDIYAJRB-SECBINFHSA-N -1 0 324.318 -0.340 20 0 DBADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H]1CCS(=O)(=O)N1 ZINC000651226587 411725253 /nfs/dbraw/zinc/72/52/53/411725253.db2.gz GXZFHLMDIYAJRB-VIFPVBQESA-N -1 0 324.318 -0.340 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000653304839 411725950 /nfs/dbraw/zinc/72/59/50/411725950.db2.gz YQRSMWNZYSOFOR-UTLUCORTSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cn(C)nn2)C1 ZINC000652656101 411810353 /nfs/dbraw/zinc/81/03/53/411810353.db2.gz UTRPJMIQHYLICV-BDAKNGLRSA-N -1 0 309.326 -1.000 20 0 DBADRM C[C@@H](CO)C1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC000652653056 411810377 /nfs/dbraw/zinc/81/03/77/411810377.db2.gz DVUGYXRBMJKSAT-JTQLQIEISA-N -1 0 300.355 -0.166 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCn2c(CC3CC3)nnc2C1 ZINC000652654627 411810531 /nfs/dbraw/zinc/81/05/31/411810531.db2.gz LZCGLYZIENFRJJ-UHFFFAOYSA-N -1 0 321.337 -0.836 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000653340919 411814541 /nfs/dbraw/zinc/81/45/41/411814541.db2.gz VFAKXIOYNIDMCC-VIFPVBQESA-N -1 0 318.355 -0.758 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC000655538411 411816819 /nfs/dbraw/zinc/81/68/19/411816819.db2.gz FVPVOIAMFKZVFA-SECBINFHSA-N -1 0 302.294 -0.006 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000653343373 411816832 /nfs/dbraw/zinc/81/68/32/411816832.db2.gz UBIUIUFOURKAAZ-SECBINFHSA-N -1 0 320.305 -0.031 20 0 DBADRM COCCOCCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659395953 411821346 /nfs/dbraw/zinc/82/13/46/411821346.db2.gz AGAJJPDTIHOLDD-BXUZGUMPSA-N -1 0 316.354 -0.218 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@](C)(CCF)C(=O)[O-] ZINC000659216955 411822762 /nfs/dbraw/zinc/82/27/62/411822762.db2.gz WAIZNSXEIVYJFE-LLVKDONJSA-N -1 0 312.363 -0.023 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)CCC1 ZINC000659422292 411823844 /nfs/dbraw/zinc/82/38/44/411823844.db2.gz AJGXESAAVRKRDZ-UWVGGRQHSA-N -1 0 311.338 -0.460 20 0 DBADRM CC(C)n1cnc(=NC(=O)c2cc(S(N)(=O)=O)cn2C)[n-]1 ZINC000652728627 411823942 /nfs/dbraw/zinc/82/39/42/411823942.db2.gz SXJRZGJGGLSSCV-UHFFFAOYSA-N -1 0 312.355 -0.481 20 0 DBADRM C[C@@H](CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)[O-] ZINC000655558438 411833138 /nfs/dbraw/zinc/83/31/38/411833138.db2.gz GGLBITDANAJSOC-ZETCQYMHSA-N -1 0 320.305 -0.917 20 0 DBADRM C[C@H](CNC(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000655559908 411834091 /nfs/dbraw/zinc/83/40/91/411834091.db2.gz RZKLQVSBBBQIRZ-SECBINFHSA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@H](CNC(=O)c1ccc(CS(N)(=O)=O)cc1)C(=O)[O-] ZINC000655560502 411834525 /nfs/dbraw/zinc/83/45/25/411834525.db2.gz IDWWVZFTEUQYIK-MRVPVSSYSA-N -1 0 300.336 -0.074 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655564408 411834534 /nfs/dbraw/zinc/83/45/34/411834534.db2.gz FYZLPCUUQACRCN-SNVBAGLBSA-N -1 0 324.399 -0.585 20 0 DBADRM CCN1CCN(CC(=O)NC[C@@H](C(=O)[O-])C(C)C)C(=O)C1=O ZINC000655570213 411834553 /nfs/dbraw/zinc/83/45/53/411834553.db2.gz YEOCHKIJNJHDFN-SNVBAGLBSA-N -1 0 313.354 -0.850 20 0 DBADRM C[C@H](CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000655562077 411834577 /nfs/dbraw/zinc/83/45/77/411834577.db2.gz RISWVXFRZACMKI-ZCFIWIBFSA-N -1 0 306.278 -0.515 20 0 DBADRM CC(C)[C@@H](CNC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000655569915 411834628 /nfs/dbraw/zinc/83/46/28/411834628.db2.gz RJNIUIJLGUSFHQ-SNVBAGLBSA-N -1 0 321.399 -0.625 20 0 DBADRM CC(C)[C@H](CNC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000655563720 411834886 /nfs/dbraw/zinc/83/48/86/411834886.db2.gz BCMMIPCLYPOKLE-VIFPVBQESA-N -1 0 315.351 -0.184 20 0 DBADRM C[C@@H](NC(=O)CN1CC(=O)NC1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655581444 411835820 /nfs/dbraw/zinc/83/58/20/411835820.db2.gz ZAPUYPADQUEHEI-HRDYMLBCSA-N -1 0 311.338 -0.210 20 0 DBADRM Cc1oc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000659243049 411836237 /nfs/dbraw/zinc/83/62/37/411836237.db2.gz MGHKEQNRMNQWKX-LJGSYFOKSA-N -1 0 302.308 -0.172 20 0 DBADRM Cc1nn(CC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c(=O)n1C ZINC000655597170 411836711 /nfs/dbraw/zinc/83/67/11/411836711.db2.gz OEORLWMTIONRQY-LLVKDONJSA-N -1 0 319.321 -0.903 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N(CC(=O)[O-])C2CCC2)ccn1 ZINC000655587669 411837007 /nfs/dbraw/zinc/83/70/07/411837007.db2.gz KKMOMSIOTFURMA-UHFFFAOYSA-N -1 0 313.335 -0.192 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659649264 411858222 /nfs/dbraw/zinc/85/82/22/411858222.db2.gz TZDIHKQJYQFPRQ-SNVBAGLBSA-N -1 0 308.338 -0.241 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCO[C@H]1CC1(F)F)C(=O)[O-] ZINC000659662439 411859051 /nfs/dbraw/zinc/85/90/51/411859051.db2.gz SQPMMMGQGGHPTB-IUCAKERBSA-N -1 0 322.308 0.000 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1COCCO1)C(=O)[O-] ZINC000659660416 411859078 /nfs/dbraw/zinc/85/90/78/411859078.db2.gz AAUXIGKBJDGIHL-GHMZBOCLSA-N -1 0 316.354 -0.667 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1(F)F ZINC000659662744 411859561 /nfs/dbraw/zinc/85/95/61/411859561.db2.gz BPJJUJCKOXOWMV-WRWORJQWSA-N -1 0 306.265 -0.540 20 0 DBADRM COC[C@@H](CCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)OC ZINC000659670168 411860129 /nfs/dbraw/zinc/86/01/29/411860129.db2.gz IYFNKCMKGQISQD-SNVBAGLBSA-N -1 0 316.354 -0.475 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000659773176 411887939 /nfs/dbraw/zinc/88/79/39/411887939.db2.gz OYUPHATWADVJDE-GHMZBOCLSA-N -1 0 313.331 -0.073 20 0 DBADRM CCOCCO[C@H](C)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659780366 411889283 /nfs/dbraw/zinc/88/92/83/411889283.db2.gz ZGMYWHDMUJTROQ-JTNHKYCSSA-N -1 0 301.339 -0.012 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CCn1ccccc1=O)C(=O)[O-] ZINC000402584269 411914675 /nfs/dbraw/zinc/91/46/75/411914675.db2.gz WEYIQOBSRSXLDM-ZDUSSCGKSA-N -1 0 304.306 -0.086 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)C1 ZINC000386870027 411926007 /nfs/dbraw/zinc/92/60/07/411926007.db2.gz XHHYSMOABGPJQF-SNVBAGLBSA-N -1 0 306.384 -0.125 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000653537207 411877086 /nfs/dbraw/zinc/87/70/86/411877086.db2.gz MPQAUYOKVUMWBN-JTQLQIEISA-N -1 0 324.399 -0.490 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC000400178332 411883781 /nfs/dbraw/zinc/88/37/81/411883781.db2.gz FVKWUNHJTFJQOZ-IUCAKERBSA-N -1 0 305.356 -0.721 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)NC[C@H](C)C(=O)[O-])C2=O)n(C)n1 ZINC000655868584 411974732 /nfs/dbraw/zinc/97/47/32/411974732.db2.gz FQYPPSLOQZGFCW-WPRPVWTQSA-N -1 0 323.353 -0.146 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)NC[C@H](C)C(=O)[O-])C2=O)n(C)n1 ZINC000655868583 411975302 /nfs/dbraw/zinc/97/53/02/411975302.db2.gz FQYPPSLOQZGFCW-WCBMZHEXSA-N -1 0 323.353 -0.146 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CCO1 ZINC000655892639 411975939 /nfs/dbraw/zinc/97/59/39/411975939.db2.gz DCKOTTAWYZASHK-NWDGAFQWSA-N -1 0 315.370 -0.110 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655885586 411976235 /nfs/dbraw/zinc/97/62/35/411976235.db2.gz RULYTUHJGQLERL-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM COCCN(C(=O)NC[C@@H](C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000655889569 411976314 /nfs/dbraw/zinc/97/63/14/411976314.db2.gz SOIOVDVHQRKVIG-NXEZZACHSA-N -1 0 322.383 -0.448 20 0 DBADRM C[C@H](CNC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000655888905 411976490 /nfs/dbraw/zinc/97/64/90/411976490.db2.gz PDKQVKJZWMBOBS-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1)C(=O)[O-] ZINC000655883550 411976502 /nfs/dbraw/zinc/97/65/02/411976502.db2.gz BJWWKHATYFJKFH-USWWRNFRSA-N -1 0 310.354 -0.142 20 0 DBADRM C[C@H](CNC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1)C(=O)[O-] ZINC000655881029 411976596 /nfs/dbraw/zinc/97/65/96/411976596.db2.gz FQJYLLZJHVKGAZ-NXEZZACHSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000655940329 411979699 /nfs/dbraw/zinc/97/96/99/411979699.db2.gz RLIVELXMYSAYER-MRVPVSSYSA-N -1 0 319.317 -0.252 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NC[C@H]1COc2ccccc2O1)C(=O)[O-] ZINC000655977221 411981476 /nfs/dbraw/zinc/98/14/76/411981476.db2.gz FUPKKNSZMYZJII-UWVGGRQHSA-N -1 0 322.317 -0.221 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCNC(=O)C(C)(C)C)C(=O)[O-] ZINC000655983253 411981550 /nfs/dbraw/zinc/98/15/50/411981550.db2.gz IRNDYXOQGCQMEH-MRVPVSSYSA-N -1 0 301.343 -0.898 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655981941 411981564 /nfs/dbraw/zinc/98/15/64/411981564.db2.gz QBLAFCPNHLILLT-SECBINFHSA-N -1 0 301.343 -0.898 20 0 DBADRM COc1cc(CCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])ccc1O ZINC000655977689 411981791 /nfs/dbraw/zinc/98/17/91/411981791.db2.gz ITAQAKLCMIITDF-SECBINFHSA-N -1 0 324.333 -0.104 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655980503 411981831 /nfs/dbraw/zinc/98/18/31/411981831.db2.gz HBLITTJBDQWOFO-BDAKNGLRSA-N -1 0 301.343 -0.756 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1)C(=O)[O-] ZINC000655982513 411981920 /nfs/dbraw/zinc/98/19/20/411981920.db2.gz VVNFAVJANLMHIQ-MNOVXSKESA-N -1 0 322.365 -0.144 20 0 DBADRM CCOc1ncccc1CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655979185 411982210 /nfs/dbraw/zinc/98/22/10/411982210.db2.gz ANQVJIIJAUAVOY-SECBINFHSA-N -1 0 309.322 -0.067 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCCOCC(F)(F)F)C(=O)[O-] ZINC000655981266 411982474 /nfs/dbraw/zinc/98/24/74/411982474.db2.gz YFFHFVDTLQVPLM-ZETCQYMHSA-N -1 0 314.260 -0.092 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCNC(=O)C1CC1)C(=O)[O-] ZINC000655977440 411982478 /nfs/dbraw/zinc/98/24/78/411982478.db2.gz HWDZGJRHIAAODX-JTQLQIEISA-N -1 0 313.354 -0.898 20 0 DBADRM Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C2 ZINC000655977898 411982491 /nfs/dbraw/zinc/98/24/91/411982491.db2.gz LKSRFJSTVWQQMI-GZMMTYOYSA-N -1 0 320.349 -0.405 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCNC(=O)c1ccccc1)C(=O)[O-] ZINC000655978955 411982511 /nfs/dbraw/zinc/98/25/11/411982511.db2.gz XYQUKVVSUKJWLS-JTQLQIEISA-N -1 0 321.333 -0.631 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1)C(=O)[O-] ZINC000655982516 411982552 /nfs/dbraw/zinc/98/25/52/411982552.db2.gz VVNFAVJANLMHIQ-WDEREUQCSA-N -1 0 322.365 -0.144 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCCn1cncn1)C(=O)[O-] ZINC000655977092 411982561 /nfs/dbraw/zinc/98/25/61/411982561.db2.gz BXRVPXNNJKPFMR-SNVBAGLBSA-N -1 0 311.342 -0.743 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1ccn2ccnc2c1)C(=O)[O-] ZINC000655988800 411983042 /nfs/dbraw/zinc/98/30/42/411983042.db2.gz UWTGUJIHBBCOBV-VIFPVBQESA-N -1 0 304.306 -0.213 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCC[C@H](C)CO)C(=O)[O-] ZINC000655994913 411983105 /nfs/dbraw/zinc/98/31/05/411983105.db2.gz WRWBAQZRZSHELR-QWRGUYRKSA-N -1 0 302.371 -0.016 20 0 DBADRM CC(C)C[C@H](CCO)CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655993048 411983125 /nfs/dbraw/zinc/98/31/25/411983125.db2.gz KITQZBWDDHKGMN-MNOVXSKESA-N -1 0 302.371 -0.016 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCc1ccn(C)n1)C(=O)[O-] ZINC000655993741 411983196 /nfs/dbraw/zinc/98/31/96/411983196.db2.gz PMCIAYAQZVAPEL-LLVKDONJSA-N -1 0 310.354 -0.448 20 0 DBADRM C[C@H](COCC(F)(F)F)NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655984618 411983213 /nfs/dbraw/zinc/98/32/13/411983213.db2.gz XPGANGKKMMMLKQ-NKWVEPMBSA-N -1 0 314.260 -0.093 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)[O-] ZINC000655993198 411983225 /nfs/dbraw/zinc/98/32/25/411983225.db2.gz LHCVTDLXLQYFLE-DTWKUNHWSA-N -1 0 313.354 -0.661 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])[C@H]1OC ZINC000655994632 411983361 /nfs/dbraw/zinc/98/33/61/411983361.db2.gz UIKNIBZFKLMGLI-UTINFBMNSA-N -1 0 302.327 -0.868 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1)C(=O)[O-] ZINC000655988679 411983458 /nfs/dbraw/zinc/98/34/58/411983458.db2.gz SSLKENOMXPMJIC-ZJUUUORDSA-N -1 0 313.354 -0.804 20 0 DBADRM Cc1cc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)ncn1 ZINC000655986871 411983526 /nfs/dbraw/zinc/98/35/26/411983526.db2.gz HZTRLGMMJHZMGS-LLVKDONJSA-N -1 0 308.338 -0.126 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655987675 411983723 /nfs/dbraw/zinc/98/37/23/411983723.db2.gz MFAJBVQNWVGCQC-IVZWLZJFSA-N -1 0 302.327 -0.867 20 0 DBADRM CO[C@H](CCNC(=O)C(=O)NC[C@H](C)C(=O)[O-])C(F)(F)F ZINC000655992760 411983973 /nfs/dbraw/zinc/98/39/73/411983973.db2.gz GKFRQMKKYRBXIM-NKWVEPMBSA-N -1 0 314.260 -0.093 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@]1(C)CCC(=O)N1)C(=O)[O-] ZINC000655995848 411983994 /nfs/dbraw/zinc/98/39/94/411983994.db2.gz JFRRRTASRRXMDW-XPTSAGLGSA-N -1 0 313.354 -0.756 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)[C@H](C)C(=O)NC(C)(C)C)C(=O)[O-] ZINC000656005428 411984626 /nfs/dbraw/zinc/98/46/26/411984626.db2.gz ZUVXMKJCNLBWNZ-RKDXNWHRSA-N -1 0 315.370 -0.415 20 0 DBADRM Cc1noc([C@@H]2CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C2)n1 ZINC000656002029 411984653 /nfs/dbraw/zinc/98/46/53/411984653.db2.gz RVEGDLIDNIRDCU-WCBMZHEXSA-N -1 0 324.337 -0.079 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCc1cn(C)cn1)C(=O)[O-] ZINC000655998025 411984669 /nfs/dbraw/zinc/98/46/69/411984669.db2.gz SGEQOSPJQWRIQW-NSHDSACASA-N -1 0 310.354 -0.448 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)C(=O)[O-] ZINC000656005901 411984704 /nfs/dbraw/zinc/98/47/04/411984704.db2.gz MYHFIOLQYJZCFG-RITPCOANSA-N -1 0 300.233 -0.795 20 0 DBADRM C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656005407 411984899 /nfs/dbraw/zinc/98/48/99/411984899.db2.gz ZOPIOAKEUOADLR-GARJFASQSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O)C(=O)[O-] ZINC000655998945 411985124 /nfs/dbraw/zinc/98/51/24/411985124.db2.gz YYCUDBCGWDUAGC-IUCAKERBSA-N -1 0 313.354 -0.661 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1)C(=O)[O-] ZINC000656004611 411985154 /nfs/dbraw/zinc/98/51/54/411985154.db2.gz GHGONYUUKYMKTR-PSASIEDQSA-N -1 0 311.338 -0.907 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@]1(C)CCCO)C(=O)[O-] ZINC000656001488 411985228 /nfs/dbraw/zinc/98/52/28/411985228.db2.gz ITTARPAEDZQDER-YGRLFVJLSA-N -1 0 300.355 -0.023 20 0 DBADRM COCCO[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000656003020 411985308 /nfs/dbraw/zinc/98/53/08/411985308.db2.gz AZOFEBWPQKLISY-GHMZBOCLSA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@@]1(C)CCCO)C(=O)[O-] ZINC000656001485 411985524 /nfs/dbraw/zinc/98/55/24/411985524.db2.gz ITTARPAEDZQDER-HZMBPMFUSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC(O)(C(F)F)CC1)C(=O)[O-] ZINC000656001507 411985578 /nfs/dbraw/zinc/98/55/78/411985578.db2.gz JGXWCUATPQNMQL-SSDOTTSWSA-N -1 0 308.281 -0.558 20 0 DBADRM CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656002006 411985844 /nfs/dbraw/zinc/98/58/44/411985844.db2.gz RIZIMCCUSRPOKS-UWVGGRQHSA-N -1 0 313.354 -0.707 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H](c2ncc[nH]2)C1)C(=O)[O-] ZINC000656008115 411986587 /nfs/dbraw/zinc/98/65/87/411986587.db2.gz QKKKOFVBYSRBTQ-ZJUUUORDSA-N -1 0 308.338 -0.047 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)O)C1)C(=O)[O-] ZINC000656007507 411986868 /nfs/dbraw/zinc/98/68/68/411986868.db2.gz GWPOLRJOVYOIHP-DCAQKATOSA-N -1 0 316.354 -0.932 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]([C@@H](C)O)C1)C(=O)[O-] ZINC000656008299 411986904 /nfs/dbraw/zinc/98/69/04/411986904.db2.gz HVJCBZMTWAAESI-VWYCJHECSA-N -1 0 300.355 -0.311 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)n1 ZINC000656008512 411986968 /nfs/dbraw/zinc/98/69/68/411986968.db2.gz VXRIITMLICGFRC-SECBINFHSA-N -1 0 312.326 -0.191 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCOC1)C(=O)[O-] ZINC000656011868 411987026 /nfs/dbraw/zinc/98/70/26/411987026.db2.gz SZMQCAXRJBCJKC-GHMZBOCLSA-N -1 0 300.355 -0.046 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N(C)CC1(CO)CC1)C(=O)[O-] ZINC000656008026 411987065 /nfs/dbraw/zinc/98/70/65/411987065.db2.gz DEOBWJHKBIOXAN-JTQLQIEISA-N -1 0 300.355 -0.310 20 0 DBADRM CC(C)OC[C@H]1CN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CCO1 ZINC000656004706 411987139 /nfs/dbraw/zinc/98/71/39/411987139.db2.gz HIZDOCGYRLNEAX-WDEREUQCSA-N -1 0 316.354 -0.524 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC(C(C)(C)O)C1)C(=O)[O-] ZINC000656010240 411987217 /nfs/dbraw/zinc/98/72/17/411987217.db2.gz AZQRADXSYWARLD-SNVBAGLBSA-N -1 0 300.355 -0.311 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CCO1 ZINC000656014241 411987284 /nfs/dbraw/zinc/98/72/84/411987284.db2.gz VCYKVYQCNQVIKG-WDEREUQCSA-N -1 0 316.354 -0.667 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N(C)CCn1cccn1)C(=O)[O-] ZINC000656012120 411988738 /nfs/dbraw/zinc/98/87/38/411988738.db2.gz ZTRDWGBWDJGRBL-LLVKDONJSA-N -1 0 310.354 -0.186 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(C)C(=O)[C@H]1C)C(=O)[O-] ZINC000656012585 411988849 /nfs/dbraw/zinc/98/88/49/411988849.db2.gz GMXOHEXGLCIRPH-ZJUUUORDSA-N -1 0 313.354 -0.852 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N(C)Cc1nccn1C)C(=O)[O-] ZINC000656012787 411989128 /nfs/dbraw/zinc/98/91/28/411989128.db2.gz IFXDTGKKRQOFBP-JTQLQIEISA-N -1 0 310.354 -0.149 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)CC2)C(=O)[O-] ZINC000656155969 411997199 /nfs/dbraw/zinc/99/71/99/411997199.db2.gz MVHUNDSUGQJGLO-KRTXAFLBSA-N -1 0 313.331 -0.072 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)C(=O)[O-] ZINC000656231303 411999648 /nfs/dbraw/zinc/99/96/48/411999648.db2.gz GGLDOHWLXYIWKB-QMMMGPOBSA-N -1 0 305.290 -0.061 20 0 DBADRM C[C@@H](O[C@@H](C)C(=O)NCc1nc(C(N)=O)cs1)C(=O)[O-] ZINC000656486129 412007217 /nfs/dbraw/zinc/00/72/17/412007217.db2.gz UHRYAUFXYHKIMV-NTSWFWBYSA-N -1 0 301.324 -0.264 20 0 DBADRM COC1CCN(S(=O)(=O)N2CC([C@H](C)C(=O)[O-])C2)CC1 ZINC000656515443 412007294 /nfs/dbraw/zinc/00/72/94/412007294.db2.gz GZJABWAAEJONDI-VIFPVBQESA-N -1 0 306.384 -0.006 20 0 DBADRM CCc1nn(C)c(CC)c1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000656528200 412007561 /nfs/dbraw/zinc/00/75/61/412007561.db2.gz ZZKNYOQJKATMIV-SECBINFHSA-N -1 0 305.356 -0.731 20 0 DBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)NCCOCC(=O)[O-])c1 ZINC000656511886 412007683 /nfs/dbraw/zinc/00/76/83/412007683.db2.gz FQJROVFFJKRIML-UHFFFAOYSA-N -1 0 316.335 -0.527 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCOCC2)C[C@H]1CC(=O)[O-] ZINC000656525055 412007785 /nfs/dbraw/zinc/00/77/85/412007785.db2.gz YGSJEHSKKRADJS-GHMZBOCLSA-N -1 0 306.384 -0.004 20 0 DBADRM COC1CCN(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)CC1 ZINC000656515246 412007891 /nfs/dbraw/zinc/00/78/91/412007891.db2.gz DBAYNHBTGDXILN-LLVKDONJSA-N -1 0 308.356 -0.825 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)Cc1ccon1)C2 ZINC000656562519 412008788 /nfs/dbraw/zinc/00/87/88/412008788.db2.gz RXXIBGRUVYTXIE-LDYMZIIASA-N -1 0 302.308 -0.463 20 0 DBADRM COCCCCS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656561619 412008886 /nfs/dbraw/zinc/00/88/86/412008886.db2.gz KBQWCHAWSHLETE-ZYHUDNBSSA-N -1 0 307.368 -0.224 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCOC[C@@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC000656562585 412009232 /nfs/dbraw/zinc/00/92/32/412009232.db2.gz JWWJTWJTVSRAEH-GMTAPVOTSA-N -1 0 323.367 -0.847 20 0 DBADRM CC[C@@H](CS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)OC ZINC000656564107 412009770 /nfs/dbraw/zinc/00/97/70/412009770.db2.gz APMOLXQEZVQIRP-JFGNBEQYSA-N -1 0 307.368 -0.226 20 0 DBADRM Cn1nccc1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656561095 412009814 /nfs/dbraw/zinc/00/98/14/412009814.db2.gz BMJHNYQVJBIBBO-LDYMZIIASA-N -1 0 301.324 -0.858 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)C[C@H]1CCCCO1)C2 ZINC000656561194 412009855 /nfs/dbraw/zinc/00/98/55/412009855.db2.gz DMJJFXWYEXYGTM-NQBHXWOUSA-N -1 0 319.379 -0.082 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NC[C@@H](OC)[C@@H]1CCOC1 ZINC000656585963 412010318 /nfs/dbraw/zinc/01/03/18/412010318.db2.gz HSEQLYJMIWKAPT-GHMZBOCLSA-N -1 0 304.343 -0.220 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-]c1n[nH]cc1C(N)=O)[C@@H]1CCOC1 ZINC000656629801 412010332 /nfs/dbraw/zinc/01/03/32/412010332.db2.gz YPEOHAKLPVNHPF-APPZFPTMSA-N -1 0 318.355 -0.698 20 0 DBADRM COc1cc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nn1C ZINC000656604085 412011109 /nfs/dbraw/zinc/01/11/09/412011109.db2.gz JOJJPDCHXLQWKP-AMIZOPFISA-N -1 0 310.310 -0.006 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])cn1 ZINC000656718329 412011901 /nfs/dbraw/zinc/01/19/01/412011901.db2.gz WJZYHNQKKLUDFX-ZJUUUORDSA-N -1 0 303.340 -0.016 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NCCO[C@H]1CC1(F)F ZINC000656719502 412011976 /nfs/dbraw/zinc/01/19/76/412011976.db2.gz JOGXXBMLTJMQMT-SFYZADRCSA-N -1 0 314.310 -0.206 20 0 DBADRM CO[C@H](CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC000656719278 412012034 /nfs/dbraw/zinc/01/20/34/412012034.db2.gz URCUHIAKRIQCFP-OUAUKWLOSA-N -1 0 322.383 -0.579 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000656720345 412012445 /nfs/dbraw/zinc/01/24/45/412012445.db2.gz RSSDWOFASHCOHW-UHFFFAOYSA-N -1 0 311.381 -0.700 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NCCO[C@@H]1CC1(F)F ZINC000656719484 412012564 /nfs/dbraw/zinc/01/25/64/412012564.db2.gz JOGXXBMLTJMQMT-HTQZYQBOSA-N -1 0 314.310 -0.206 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cnn2c1OCCC2 ZINC000656717255 412012697 /nfs/dbraw/zinc/01/26/97/412012697.db2.gz LRMLEGHMMMYDKN-IONNQARKSA-N -1 0 317.323 -0.814 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC000656852369 412013458 /nfs/dbraw/zinc/01/34/58/412013458.db2.gz ZLBLXGYBNNNVEH-VIFPVBQESA-N -1 0 302.352 -0.443 20 0 DBADRM C[C@@](CNC(=O)CN1CCNCC1=O)(C(=O)[O-])c1ccccc1 ZINC000656857099 412013646 /nfs/dbraw/zinc/01/36/46/412013646.db2.gz ZNFLPCMVPBYIND-INIZCTEOSA-N -1 0 319.361 -0.423 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccccc1[O-] ZINC000656952476 412017686 /nfs/dbraw/zinc/01/76/86/412017686.db2.gz YQFYWXJPSBWARI-VIFPVBQESA-N -1 0 320.392 -0.166 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)N1CCS(=O)(=O)CC1)CC1CC1 ZINC000405391689 411946698 /nfs/dbraw/zinc/94/66/98/411946698.db2.gz GSHCIDXPIUWBPB-SNVBAGLBSA-N -1 0 304.368 -0.073 20 0 DBADRM Cc1nn(CC(=O)Nc2n[nH]c(-c3ccco3)n2)c(=O)n1C ZINC000654702680 411948246 /nfs/dbraw/zinc/94/82/46/411948246.db2.gz ZXKHGOXJRMDENP-UHFFFAOYSA-N -1 0 303.282 -0.093 20 0 DBADRM O=S(=O)(NC[C@]1(OCCO)CCOC1)c1ccccc1[O-] ZINC000657092675 412028869 /nfs/dbraw/zinc/02/88/69/412028869.db2.gz WCSKVJNRUHWSHN-CYBMUJFWSA-N -1 0 317.363 -0.162 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccccc1[O-] ZINC000657100260 412029211 /nfs/dbraw/zinc/02/92/11/412029211.db2.gz KVHHZFHWWVPEFA-WPRPVWTQSA-N -1 0 321.376 -0.518 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cncc2c1CCCC2 ZINC000657655864 412041813 /nfs/dbraw/zinc/04/18/13/412041813.db2.gz JTGDGCWVMKZQPH-UHFFFAOYSA-N -1 0 301.310 -0.272 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-]CC(F)(F)CN)[C@@H]1CCOC1 ZINC000658371555 412053646 /nfs/dbraw/zinc/05/36/46/412053646.db2.gz KHWFTPKLVXYGJO-BDAKNGLRSA-N -1 0 302.343 -0.449 20 0 DBADRM O=S(=O)(c1ccccc1[O-])N(CCO)CCOCCO ZINC000657012225 412021958 /nfs/dbraw/zinc/02/19/58/412021958.db2.gz GNMHQPKYNAQTIG-UHFFFAOYSA-N -1 0 305.352 -0.616 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCC[C@@H](CO)C1 ZINC000659054259 412076638 /nfs/dbraw/zinc/07/66/38/412076638.db2.gz OIAWVEDODKMCAN-SECBINFHSA-N -1 0 307.306 -0.051 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC[C@H]1O ZINC000659059155 412076718 /nfs/dbraw/zinc/07/67/18/412076718.db2.gz RJXVGKUMCVNVNH-PSASIEDQSA-N -1 0 307.306 -0.052 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659057427 412076820 /nfs/dbraw/zinc/07/68/20/412076820.db2.gz HAFZANPDHWMCKK-ZETCQYMHSA-N -1 0 306.278 -0.935 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659054420 412077197 /nfs/dbraw/zinc/07/71/97/412077197.db2.gz AKMDQPWVMZSRNB-ZETCQYMHSA-N -1 0 308.294 -0.641 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@H]1O ZINC000659055967 412076311 /nfs/dbraw/zinc/07/63/11/412076311.db2.gz QTJKMASZRKYPJC-WCBMZHEXSA-N -1 0 307.306 -0.052 20 0 DBADRM CN(C(=O)CC1(n2cnnn2)CCOCC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659231390 412083011 /nfs/dbraw/zinc/08/30/11/412083011.db2.gz JJSSUUGIVIQJNH-PHIMTYICSA-N -1 0 323.353 -0.110 20 0 DBADRM COCCn1nc(C)c(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c1C ZINC000659062384 412078482 /nfs/dbraw/zinc/07/84/82/412078482.db2.gz GJGYXCUVYGCFTN-MRVPVSSYSA-N -1 0 312.326 -0.326 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C)C(=O)[O-] ZINC000659062828 412078533 /nfs/dbraw/zinc/07/85/33/412078533.db2.gz MWPGAXPSNBCHBN-SSDOTTSWSA-N -1 0 321.289 -0.430 20 0 DBADRM Cc1noc(C)c1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659066093 412078606 /nfs/dbraw/zinc/07/86/06/412078606.db2.gz JFVIPHHWYMOCRS-YMTOWFKASA-N -1 0 323.305 -0.210 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cnn1C ZINC000659066014 412078743 /nfs/dbraw/zinc/07/87/43/412078743.db2.gz GXRVLXYOQPWFBL-YMTOWFKASA-N -1 0 322.321 -0.773 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659067845 412078827 /nfs/dbraw/zinc/07/88/27/412078827.db2.gz PYMMJHKHQCMEPQ-VIFPVBQESA-N -1 0 323.305 -0.408 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000659169959 412081011 /nfs/dbraw/zinc/08/10/11/412081011.db2.gz NEFQLWCLQRWAPX-SUZMYJTESA-N -1 0 322.317 -0.014 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N[C@]2(CC(=O)[O-])CCOC2)n1 ZINC000659152118 412081440 /nfs/dbraw/zinc/08/14/40/412081440.db2.gz QQOMJNICSYSXPM-ZDUSSCGKSA-N -1 0 311.342 -0.279 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)Cn1nnnc1-c1ccsc1 ZINC000659173996 412082079 /nfs/dbraw/zinc/08/20/79/412082079.db2.gz WLJOGTIRMBXRNS-WCBMZHEXSA-N -1 0 323.334 -0.240 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCC(=O)[O-])CCN1S(C)(=O)=O ZINC000659405713 412087283 /nfs/dbraw/zinc/08/72/83/412087283.db2.gz FTRRPUSLVBVZMK-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM C[C@@H](CNC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)C(=O)[O-] ZINC000659412143 412087404 /nfs/dbraw/zinc/08/74/04/412087404.db2.gz PWBVYSDQFFEQLQ-DTWKUNHWSA-N -1 0 307.372 -0.618 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCC1(C(=O)[O-])CCC1 ZINC000659411723 412087564 /nfs/dbraw/zinc/08/75/64/412087564.db2.gz DIZAPGZXFKNULF-BDAKNGLRSA-N -1 0 320.367 -0.648 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)N[C@@H]1CCn3ccnc3C1)C2 ZINC000659401571 412087577 /nfs/dbraw/zinc/08/75/77/412087577.db2.gz MBUUYQOYACHDOS-UEKVPHQBSA-N -1 0 320.349 -0.060 20 0 DBADRM C[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ncnn1C ZINC000659401321 412087680 /nfs/dbraw/zinc/08/76/80/412087680.db2.gz ISMQRICRTMHHAX-IGJMFERPSA-N -1 0 309.326 -0.381 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCC1(C(=O)[O-])CCC1 ZINC000659411724 412087799 /nfs/dbraw/zinc/08/77/99/412087799.db2.gz DIZAPGZXFKNULF-DTWKUNHWSA-N -1 0 320.367 -0.648 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NC1CCCCC1)C2 ZINC000659644985 412096409 /nfs/dbraw/zinc/09/64/09/412096409.db2.gz RYTSVMHYAJSVCI-MEBBXXQBSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000659655111 412098404 /nfs/dbraw/zinc/09/84/04/412098404.db2.gz HOAMBKQQVCBQGW-SNVBAGLBSA-N -1 0 309.326 -0.892 20 0 DBADRM C[C@@H](CO)[C@@H]1CCCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000659655464 412098889 /nfs/dbraw/zinc/09/88/89/412098889.db2.gz IZKBYZDODDUUHI-QWRGUYRKSA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659651704 412098943 /nfs/dbraw/zinc/09/89/43/412098943.db2.gz ZYOSATFIRDESID-YYHMBLRTSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CCC1 ZINC000659654184 412099323 /nfs/dbraw/zinc/09/93/23/412099323.db2.gz ZYMINAWSEVVEHN-SECBINFHSA-N -1 0 323.349 -0.763 20 0 DBADRM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659654928 412099376 /nfs/dbraw/zinc/09/93/76/412099376.db2.gz CPCNDKBGKKFHKT-QMUJVDTISA-N -1 0 308.334 -0.539 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)NCCO[C@@H]2CC2(F)F)C1 ZINC000659662516 412099770 /nfs/dbraw/zinc/09/97/70/412099770.db2.gz GCQHFOYKYKICIV-DTWKUNHWSA-N -1 0 320.292 -0.150 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000659660310 412099784 /nfs/dbraw/zinc/09/97/84/412099784.db2.gz JURZGYNITLESTQ-JXOGKFFTSA-N -1 0 322.361 -0.149 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCNC(=O)C1)CC(=O)[O-] ZINC000659666562 412099845 /nfs/dbraw/zinc/09/98/45/412099845.db2.gz PIBKLGKSVKURKC-JTQLQIEISA-N -1 0 313.354 -0.802 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)C1 ZINC000659661703 412099857 /nfs/dbraw/zinc/09/98/57/412099857.db2.gz XCHHIHINRDKWMK-KKOKHZNYSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@@H]1CCC[C@H](CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)O1 ZINC000659663638 412099931 /nfs/dbraw/zinc/09/99/31/412099931.db2.gz HYWGKPGYCWETJX-MXWKQRLJSA-N -1 0 314.338 -0.628 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)NCCO[C@@H]2CC2(F)F)CC1 ZINC000659665979 412100126 /nfs/dbraw/zinc/10/01/26/412100126.db2.gz ZVLVYGXJYIUJJS-SECBINFHSA-N -1 0 320.292 -0.150 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2COC[C@H]2C1)C(=O)[O-] ZINC000659661103 412100139 /nfs/dbraw/zinc/10/01/39/412100139.db2.gz GWCACELIUQCYIY-UTUOFQBUSA-N -1 0 312.366 -0.046 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])[C@H]1CCO ZINC000659656488 412100165 /nfs/dbraw/zinc/10/01/65/412100165.db2.gz SAMQLKQZRWLWBS-QWRGUYRKSA-N -1 0 300.355 -0.023 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000659660363 412100337 /nfs/dbraw/zinc/10/03/37/412100337.db2.gz POJSWRWZBZVENY-HMACKLAMSA-N -1 0 308.334 -0.539 20 0 DBADRM COC[C@H](CCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)OC ZINC000659661647 412100481 /nfs/dbraw/zinc/10/04/81/412100481.db2.gz VPXNHZWBHPXVOO-AXFHLTTASA-N -1 0 316.354 -0.476 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1C[C@H]2COC[C@]2(C)C1)C(=O)[O-] ZINC000659660494 412100631 /nfs/dbraw/zinc/10/06/31/412100631.db2.gz BNQQPYWYDJLPKM-PGUXBMHVSA-N -1 0 312.366 -0.046 20 0 DBADRM Cc1ccncc1CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000659664572 412100831 /nfs/dbraw/zinc/10/08/31/412100831.db2.gz SEZLZSXMKIBACY-GFCCVEGCSA-N -1 0 305.334 -0.018 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CCc2nccnc2C1)C(=O)[O-] ZINC000659659049 412100862 /nfs/dbraw/zinc/10/08/62/412100862.db2.gz FWSVTFSXTOULPD-UHFFFAOYSA-N -1 0 320.349 -0.022 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000659761325 412122597 /nfs/dbraw/zinc/12/25/97/412122597.db2.gz ZMPDUWFROZROIU-NSHDSACASA-N -1 0 319.317 0.000 20 0 DBADRM CCN(C(=O)Cn1cnc2c(cnn2C)c1=O)[C@H](C)C(=O)[O-] ZINC000659775610 412122950 /nfs/dbraw/zinc/12/29/50/412122950.db2.gz KVWJOGCPBCPBTA-MRVPVSSYSA-N -1 0 307.310 -0.548 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC000659763806 412123035 /nfs/dbraw/zinc/12/30/35/412123035.db2.gz JGTPJRMKJOJSKO-GHMZBOCLSA-N -1 0 323.353 -0.252 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)N[C@H]3CCCC[C@@H]32)CCO1 ZINC000659762355 412123111 /nfs/dbraw/zinc/12/31/11/412123111.db2.gz FTSPDHJDYRGYFH-RHYQMDGZSA-N -1 0 310.350 -0.007 20 0 DBADRM CCN(C(=O)c1ccnc2c(C(N)=O)cnn21)[C@H](C)C(=O)[O-] ZINC000659770705 412123346 /nfs/dbraw/zinc/12/33/46/412123346.db2.gz OWVSGNSTZZZNJO-SSDOTTSWSA-N -1 0 305.294 -0.237 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659779023 412124065 /nfs/dbraw/zinc/12/40/65/412124065.db2.gz AXBPTPAJZPOROH-YMTOWFKASA-N -1 0 307.306 -0.703 20 0 DBADRM Cc1nc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(=O)[nH]c1C ZINC000659780236 412125133 /nfs/dbraw/zinc/12/51/33/412125133.db2.gz QMPJRQZMZBKZKW-YMTOWFKASA-N -1 0 307.306 -0.440 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000422716868 412182469 /nfs/dbraw/zinc/18/24/69/412182469.db2.gz KDNWHESULWQVHA-OOCWMUITSA-N -1 0 310.350 -0.008 20 0 DBADRM Nc1c(-n2cccn2)ncnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662885976 412208034 /nfs/dbraw/zinc/20/80/34/412208034.db2.gz QBVSJMUOOFYCHL-YMTOWFKASA-N -1 0 316.321 -0.218 20 0 DBADRM CCOc1cc(N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])nc(C)n1 ZINC000662880814 412208041 /nfs/dbraw/zinc/20/80/41/412208041.db2.gz CIYPHLRXFOPOJC-QMMMGPOBSA-N -1 0 320.309 -0.046 20 0 DBADRM Cn1c(=O)cc(N[C@H](Cc2ccncc2)C(=O)[O-])n(C)c1=O ZINC000662883046 412208075 /nfs/dbraw/zinc/20/80/75/412208075.db2.gz LPMKWAFPGXEJGM-SNVBAGLBSA-N -1 0 304.306 -0.413 20 0 DBADRM Cn1c(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)nc2c1c(=O)[nH]c(=O)n2C ZINC000662896106 412209165 /nfs/dbraw/zinc/20/91/65/412209165.db2.gz JXUGURMKOZNPLT-QYNIQEEDSA-N -1 0 323.309 -0.991 20 0 DBADRM Cc1nc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)sc1S(N)(=O)=O ZINC000662895638 412209314 /nfs/dbraw/zinc/20/93/14/412209314.db2.gz DWJIVAWPRYXBSK-XVMARJQXSA-N -1 0 321.380 -0.265 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)[C@@H](Nc2nccc(N3CCOCC3)n2)C1 ZINC000662896285 412209746 /nfs/dbraw/zinc/20/97/46/412209746.db2.gz JIHJLGDGYCXHRU-GARJFASQSA-N -1 0 308.338 -0.051 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2cn(C)nn2)C1 ZINC000662910512 412211397 /nfs/dbraw/zinc/21/13/97/412211397.db2.gz ORMJGAFVSZQCSV-NXEZZACHSA-N -1 0 323.353 -0.657 20 0 DBADRM C[C@]12COC[C@@H]1CN(C(=O)C(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC000662911393 412211533 /nfs/dbraw/zinc/21/15/33/412211533.db2.gz DNLHSDAHPRKTOZ-NHYWBVRUSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCC[C@](O)(C3CC3)C2)C1 ZINC000662914690 412212634 /nfs/dbraw/zinc/21/26/34/412212634.db2.gz UCBPRUHSYUETGR-ZUZCIYMTSA-N -1 0 310.350 -0.317 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCc2nccnc2C1)C(=O)[O-] ZINC000662914955 412212855 /nfs/dbraw/zinc/21/28/55/412212855.db2.gz VCDJFSZGULKQLT-VIFPVBQESA-N -1 0 306.322 -0.460 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)Cc1n[n-]c(=O)o1 ZINC000660849766 412148028 /nfs/dbraw/zinc/14/80/28/412148028.db2.gz FGYUXXKTDCMZSP-IUCAKERBSA-N -1 0 311.342 -0.681 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)N(C)Cc2n[n-]c(=O)o2)CC1 ZINC000660851119 412148912 /nfs/dbraw/zinc/14/89/12/412148912.db2.gz XVUOKWMFYQDOSC-VIFPVBQESA-N -1 0 311.342 -0.714 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1Cc1coc(S(N)(=O)=O)c1 ZINC000662217377 412172493 /nfs/dbraw/zinc/17/24/93/412172493.db2.gz YTRGVHKPHXEEKV-LBPRGKRZSA-N -1 0 318.351 -0.007 20 0 DBADRM Cc1cccc([C@@H]2C(=O)NCCN2CC(=O)NCC(=O)[O-])c1 ZINC000662229788 412173135 /nfs/dbraw/zinc/17/31/35/412173135.db2.gz MRMHHHTULVGYKO-CQSZACIVSA-N -1 0 305.334 -0.331 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccn2nnnc2c1)[C@@H](C)C(=O)[O-] ZINC000663027444 412223872 /nfs/dbraw/zinc/22/38/72/412223872.db2.gz TZAYZGQQTQDLOZ-QMMMGPOBSA-N -1 0 320.309 -0.824 20 0 DBADRM Cc1cccn2c(=O)c(C(=O)N3CCOC[C@@H]3C(=O)[O-])cnc12 ZINC000663027603 412223918 /nfs/dbraw/zinc/22/39/18/412223918.db2.gz OBOHDVABLXIKSB-LLVKDONJSA-N -1 0 317.301 -0.071 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000663048024 412223952 /nfs/dbraw/zinc/22/39/52/412223952.db2.gz JQAPHIBLZYHMCE-RVBZMBCESA-N -1 0 302.327 -0.772 20 0 DBADRM C[C@H]1CN(C(=O)[C@H](C(=O)[O-])C2CC2)CCN1S(C)(=O)=O ZINC000663051607 412223999 /nfs/dbraw/zinc/22/39/99/412223999.db2.gz ZEAGCOZLRLGPDG-WCBMZHEXSA-N -1 0 304.368 -0.411 20 0 DBADRM NS(=O)(=O)NC[C@H]1CCCN(C(=O)C2(C(=O)[O-])CCC2)C1 ZINC000663040113 412224165 /nfs/dbraw/zinc/22/41/65/412224165.db2.gz NZPSGEXXIZRUPD-SECBINFHSA-N -1 0 319.383 -0.727 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC000663051109 412224171 /nfs/dbraw/zinc/22/41/71/412224171.db2.gz LPNXMMUXHKAJNO-JTQLQIEISA-N -1 0 316.379 -0.195 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000663028494 412224463 /nfs/dbraw/zinc/22/44/63/412224463.db2.gz VQXAXIHQJORLSR-JTQLQIEISA-N -1 0 314.319 -0.740 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000663045096 412224537 /nfs/dbraw/zinc/22/45/37/412224537.db2.gz WZMRKSAEEDIFGY-XPTSAGLGSA-N -1 0 324.337 -0.560 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC000663062607 412225061 /nfs/dbraw/zinc/22/50/61/412225061.db2.gz HKMAZNTXQVCZRF-SNVBAGLBSA-N -1 0 316.379 -0.052 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC000663068874 412225098 /nfs/dbraw/zinc/22/50/98/412225098.db2.gz HGUMSPYJWKJPEI-GXSJLCMTSA-N -1 0 318.395 -0.115 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000663074393 412225162 /nfs/dbraw/zinc/22/51/62/412225162.db2.gz CYZPFKMCVAAUMY-HZMBPMFUSA-N -1 0 314.338 -0.674 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC000663068876 412225336 /nfs/dbraw/zinc/22/53/36/412225336.db2.gz HGUMSPYJWKJPEI-MWLCHTKSSA-N -1 0 318.395 -0.115 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@](C)(OC)C(=O)[O-])C1 ZINC000663062646 412225386 /nfs/dbraw/zinc/22/53/86/412225386.db2.gz HVQWUXXKROWPCH-KWQFWETISA-N -1 0 308.356 -0.984 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663055238 412225520 /nfs/dbraw/zinc/22/55/20/412225520.db2.gz WVIQBVGNLRBSCJ-BDAKNGLRSA-N -1 0 307.372 -0.919 20 0 DBADRM C[C@H](CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])[C@H]1CCCO1 ZINC000663053531 412225605 /nfs/dbraw/zinc/22/56/05/412225605.db2.gz CVELXSZZBQHIRL-OUAUKWLOSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C1CC1 ZINC000663053666 412225629 /nfs/dbraw/zinc/22/56/29/412225629.db2.gz DRHYYERTGUSXGU-RKDXNWHRSA-N -1 0 319.383 -0.634 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H](C(=O)[O-])C2CC2)CCN1S(C)(=O)=O ZINC000663051608 412225720 /nfs/dbraw/zinc/22/57/20/412225720.db2.gz ZEAGCOZLRLGPDG-WPRPVWTQSA-N -1 0 304.368 -0.411 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663055239 412225724 /nfs/dbraw/zinc/22/57/24/412225724.db2.gz WVIQBVGNLRBSCJ-DTWKUNHWSA-N -1 0 307.372 -0.919 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)C2(C(=O)[O-])CCC2)C1 ZINC000663061605 412225749 /nfs/dbraw/zinc/22/57/49/412225749.db2.gz CRANMMDWGFLXFY-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc(OCC(=O)[O-])cc2)O1 ZINC000663063753 412225762 /nfs/dbraw/zinc/22/57/62/412225762.db2.gz YZFFJZSPJLBIND-RYUDHWBXSA-N -1 0 322.317 -0.087 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC000663052696 412225784 /nfs/dbraw/zinc/22/57/84/412225784.db2.gz VVHINXJLKMRHAO-WCBMZHEXSA-N -1 0 304.368 -0.505 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC000663126573 412226157 /nfs/dbraw/zinc/22/61/57/412226157.db2.gz ACERIESADVLITH-VHSXEESVSA-N -1 0 314.319 -0.678 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000663105748 412226206 /nfs/dbraw/zinc/22/62/06/412226206.db2.gz KOWJGKAWFBZWSX-LLVKDONJSA-N -1 0 302.308 -0.087 20 0 DBADRM Cn1cc(N2CCN(C(=O)C3(C(=O)[O-])CCC3)CC2=O)cn1 ZINC000663102664 412226325 /nfs/dbraw/zinc/22/63/25/412226325.db2.gz WTQGPDWVIXATPV-UHFFFAOYSA-N -1 0 306.322 -0.150 20 0 DBADRM CCN(CCCNC(=O)[C@@H](C(=O)[O-])C1CC1)S(C)(=O)=O ZINC000663095415 412226394 /nfs/dbraw/zinc/22/63/94/412226394.db2.gz ZRCPRSCNMIAGIO-JTQLQIEISA-N -1 0 306.384 -0.115 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCC(=O)NCc1cccnc1 ZINC000663102058 412226399 /nfs/dbraw/zinc/22/63/99/412226399.db2.gz KLZNHJXBYBAHIP-AWEZNQCLSA-N -1 0 309.322 -0.306 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663122146 412226420 /nfs/dbraw/zinc/22/64/20/412226420.db2.gz ZOVXACGDOBTFGU-UWVGGRQHSA-N -1 0 321.399 -0.625 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)NC2(CC(=O)[O-])CCC2)C1 ZINC000663119221 412226465 /nfs/dbraw/zinc/22/64/65/412226465.db2.gz JIPGYQNJDYENOM-VIFPVBQESA-N -1 0 319.383 -0.585 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000663120430 412226564 /nfs/dbraw/zinc/22/65/64/412226564.db2.gz WLASGWDKGZULQT-CQSZACIVSA-N -1 0 305.290 -0.200 20 0 DBADRM Cn1ccnc(N2CCN(C(=O)C3(C(=O)[O-])CCC3)CC2)c1=O ZINC000663100355 412226813 /nfs/dbraw/zinc/22/68/13/412226813.db2.gz CFSZRNRUQUKJCS-UHFFFAOYSA-N -1 0 320.349 -0.316 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@H](C(=O)[O-])C3CC3)CC2=O)cn1 ZINC000663099613 412226866 /nfs/dbraw/zinc/22/68/66/412226866.db2.gz CCNHYERTYSHLAP-GFCCVEGCSA-N -1 0 306.322 -0.294 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC000663101408 412226996 /nfs/dbraw/zinc/22/69/96/412226996.db2.gz OVBMOAJHTRYFPM-VIFPVBQESA-N -1 0 302.352 -0.443 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000663132488 412227276 /nfs/dbraw/zinc/22/72/76/412227276.db2.gz ZJELLUSDWCUSJB-KCPJHIHWSA-N -1 0 310.350 -0.196 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)CCNS(C)(=O)=O)n1 ZINC000663139864 412227356 /nfs/dbraw/zinc/22/73/56/412227356.db2.gz FGPZATCXJWVWJU-UHFFFAOYSA-N -1 0 318.355 -0.419 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000663140806 412227486 /nfs/dbraw/zinc/22/74/86/412227486.db2.gz PMIWXLHEVVAQEO-SSDOTTSWSA-N -1 0 318.355 -0.421 20 0 DBADRM CN1CC[C@H](C(=O)N(CC(=O)[O-])CC(C)(C)C)S1(=O)=O ZINC000663137945 412227582 /nfs/dbraw/zinc/22/75/82/412227582.db2.gz RKSHLVBWZGNNQP-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000663136449 412227655 /nfs/dbraw/zinc/22/76/55/412227655.db2.gz GVEVLCCWPAWAHU-ZANVPECISA-N -1 0 301.343 -0.310 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000663127561 412227664 /nfs/dbraw/zinc/22/76/64/412227664.db2.gz NZBQXVIGTAXVHM-UWVGGRQHSA-N -1 0 314.319 -0.678 20 0 DBADRM O=C([O-])[C@]1(NC(=O)C(=O)NCc2ccc(F)cc2)CCOC1 ZINC000663130847 412227762 /nfs/dbraw/zinc/22/77/62/412227762.db2.gz NUZAFGMZFFUEAV-AWEZNQCLSA-N -1 0 310.281 -0.198 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NCC2(C(=O)[O-])CCC2)ccn1 ZINC000663142375 412227794 /nfs/dbraw/zinc/22/77/94/412227794.db2.gz ZFKULGGPJNZEJC-UHFFFAOYSA-N -1 0 313.335 -0.286 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1cnc3n[nH]nc3c1)C2 ZINC000663128644 412227930 /nfs/dbraw/zinc/22/79/30/412227930.db2.gz BFIZBYPHDOEQBH-AMIZOPFISA-N -1 0 303.278 -0.474 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)no1 ZINC000663131832 412227974 /nfs/dbraw/zinc/22/79/74/412227974.db2.gz VCZVAAUQNHFUBQ-AMIZOPFISA-N -1 0 309.278 -0.519 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)NC1(C(=O)[O-])CCOCC1 ZINC000663142077 412228070 /nfs/dbraw/zinc/22/80/70/412228070.db2.gz ACEJJHBTRVGZIA-VIFPVBQESA-N -1 0 301.343 -0.037 20 0 DBADRM O=C([O-])CN1CC[C@H](n2c(=O)onc2-c2ccncc2)C1=O ZINC000663220451 412228935 /nfs/dbraw/zinc/22/89/35/412228935.db2.gz RLVMNPDPKFSGHY-VIFPVBQESA-N -1 0 304.262 -0.244 20 0 DBADRM O=C([O-])CN1CC[C@H](Oc2ccc(-n3cnnn3)cc2)C1=O ZINC000663218779 412229098 /nfs/dbraw/zinc/22/90/98/412229098.db2.gz HAMZOYQTODAMMT-NSHDSACASA-N -1 0 303.278 -0.273 20 0 DBADRM CC1([C@]2(C)NC(=O)N([C@@H]3CCN(CC(=O)[O-])C3=O)C2=O)CC1 ZINC000663220913 412229124 /nfs/dbraw/zinc/22/91/24/412229124.db2.gz WBRYATATZDSVSE-XLKFXECMSA-N -1 0 309.322 -0.218 20 0 DBADRM O=C([O-])[C@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCC1 ZINC000663218067 412229263 /nfs/dbraw/zinc/22/92/63/412229263.db2.gz YKJSXMUQGUPRSN-NXEZZACHSA-N -1 0 304.368 -0.026 20 0 DBADRM CC1([C@@]2(C)NC(=O)N([C@H]3CCN(CC(=O)[O-])C3=O)C2=O)CC1 ZINC000663220912 412229463 /nfs/dbraw/zinc/22/94/63/412229463.db2.gz WBRYATATZDSVSE-RTHLEPHNSA-N -1 0 309.322 -0.218 20 0 DBADRM O=C([O-])CN1CC[C@H](n2c(=O)onc2-c2ncccn2)C1=O ZINC000663221107 412229553 /nfs/dbraw/zinc/22/95/53/412229553.db2.gz YRNFMSVENKCKDL-ZETCQYMHSA-N -1 0 305.250 -0.849 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N1CC2(CCOCC2)[C@H]1C(=O)[O-] ZINC000663288547 412230263 /nfs/dbraw/zinc/23/02/63/412230263.db2.gz OGCGOIRYPDETNJ-NXEZZACHSA-N -1 0 307.368 -0.083 20 0 DBADRM COCCCS(=O)(=O)N1CC2(CCOCC2)[C@@H]1C(=O)[O-] ZINC000663291027 412230338 /nfs/dbraw/zinc/23/03/38/412230338.db2.gz XPULXGGVOSNONL-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM CN(C1CC1)S(=O)(=O)N1CC2(CCOCC2)[C@H]1C(=O)[O-] ZINC000663291079 412230430 /nfs/dbraw/zinc/23/04/30/412230430.db2.gz YHIUMPMQMPIOKZ-SNVBAGLBSA-N -1 0 304.368 -0.109 20 0 DBADRM CCNS(=O)(=O)N1CCC[C@@H](N(CC(=O)[O-])C(C)=O)CC1 ZINC000663253150 412231030 /nfs/dbraw/zinc/23/10/30/412231030.db2.gz ILUKVZBRLNUOOE-LLVKDONJSA-N -1 0 321.399 -0.372 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)[O-] ZINC000663287846 412231056 /nfs/dbraw/zinc/23/10/56/412231056.db2.gz LBZSJMHHZDLKDX-RKDXNWHRSA-N -1 0 304.368 -0.268 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663254873 412231135 /nfs/dbraw/zinc/23/11/35/412231135.db2.gz DOUDTZLBLGHQRS-SCZZXKLOSA-N -1 0 306.384 -0.117 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000663437615 412232564 /nfs/dbraw/zinc/23/25/64/412232564.db2.gz MWQIBEWVGGGSRL-SNVBAGLBSA-N -1 0 316.326 -0.006 20 0 DBADRM CC(C)(O)CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663625184 412236804 /nfs/dbraw/zinc/23/68/04/412236804.db2.gz OWWGDMHJMICCFT-JTQLQIEISA-N -1 0 300.355 -0.119 20 0 DBADRM CC(C)(O)C1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663633185 412236878 /nfs/dbraw/zinc/23/68/78/412236878.db2.gz FRUTWMIBASRMSX-NSHDSACASA-N -1 0 312.366 -0.167 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663637248 412237732 /nfs/dbraw/zinc/23/77/32/412237732.db2.gz YCCJLAYSAOCJCJ-XHDPSFHLSA-N -1 0 312.366 -0.023 20 0 DBADRM CNS(=O)(=O)CCNC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665310124 412306968 /nfs/dbraw/zinc/30/69/68/412306968.db2.gz JDIOJQNRMLUYNM-VIFPVBQESA-N -1 0 307.372 -0.664 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)N1CCN2C(=O)NC[C@@H]2C1)C1CCC1 ZINC000665323965 412308598 /nfs/dbraw/zinc/30/85/98/412308598.db2.gz JKTIRXJXXBNREJ-MNOVXSKESA-N -1 0 310.354 -0.094 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)C1CCC1 ZINC000665321158 412308656 /nfs/dbraw/zinc/30/86/56/412308656.db2.gz AGBBSHNOPCKPPG-UWVGGRQHSA-N -1 0 324.337 -0.567 20 0 DBADRM CC(C)(C)n1nnc(C(=O)[N-]c2n[nH]c(SCCO)n2)n1 ZINC000621916061 412309047 /nfs/dbraw/zinc/30/90/47/412309047.db2.gz XHAVFXVLCFRPPV-UHFFFAOYSA-N -1 0 312.359 -0.117 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCO1 ZINC000665322999 412309123 /nfs/dbraw/zinc/30/91/23/412309123.db2.gz SHZNFXSESDBDDD-MNOVXSKESA-N -1 0 313.354 -0.356 20 0 DBADRM CC(C)C[C@@H](CNc1ccc(C(=O)NCCO)nn1)C(=O)[O-] ZINC000424375130 412324024 /nfs/dbraw/zinc/32/40/24/412324024.db2.gz MIASNHUBRITXBJ-JTQLQIEISA-N -1 0 310.354 0.358 20 0 DBADRM CC(C)C[C@H](CNc1ccc(C(=O)NCCO)nn1)C(=O)[O-] ZINC000424375131 412326045 /nfs/dbraw/zinc/32/60/45/412326045.db2.gz MIASNHUBRITXBJ-SNVBAGLBSA-N -1 0 310.354 0.358 20 0 DBADRM COC(=O)CCN1CC[C@@H](Nc2cnc(C(=O)[O-])cn2)C1=O ZINC000416415092 412360644 /nfs/dbraw/zinc/36/06/44/412360644.db2.gz JESKVEPZBPESAG-MRVPVSSYSA-N -1 0 308.294 -0.249 20 0 DBADRM CCc1[n-][nH]c(=O)c1C(=O)Nc1nc2nc(C)cc(C)n2n1 ZINC000574680380 412378865 /nfs/dbraw/zinc/37/88/65/412378865.db2.gz INSUIRCMCWXSII-SECBINFHSA-N -1 0 301.310 0.192 20 0 DBADRM COC(=O)c1ccc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)nc1OC ZINC000595977240 412381954 /nfs/dbraw/zinc/38/19/54/412381954.db2.gz FPBUGEDBXDWJMI-SFGNSQDASA-N -1 0 310.306 0.513 20 0 DBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2c(C)cnn2C)cn1 ZINC000351354865 412384500 /nfs/dbraw/zinc/38/45/00/412384500.db2.gz WIPGNLQXXGFUNG-UHFFFAOYSA-N -1 0 311.323 0.106 20 0 DBADRM COC1(C(=O)[N-]S(=O)(=O)c2c(C)onc2N)CCOCC1 ZINC000408474986 412485911 /nfs/dbraw/zinc/48/59/11/412485911.db2.gz AIFTVTJGFXKWIN-UHFFFAOYSA-N -1 0 319.339 -0.434 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCCc2nc(N)n[nH]2)c1 ZINC000597668625 412488909 /nfs/dbraw/zinc/48/89/09/412488909.db2.gz XRQHOOCBQZLWDZ-QFIPXVFZSA-N -1 0 323.378 -0.138 20 0 DBADRM CCS(=O)(=O)N1CCC(Nc2ccc(C(=O)[O-])nn2)CC1 ZINC000583146381 412440308 /nfs/dbraw/zinc/44/03/08/412440308.db2.gz XDDYUVBAWZZIJJ-UHFFFAOYSA-N -1 0 314.367 0.401 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)Nc1ccc(C(=O)[O-])c(OC)n1 ZINC000565040859 412444551 /nfs/dbraw/zinc/44/45/51/412444551.db2.gz LVABANPPSSLQJJ-QMMMGPOBSA-N -1 0 317.367 0.528 20 0 DBADRM COc1nc(NC[C@]2(O)CCS(=O)(=O)C2)ccc1C(=O)[O-] ZINC000563813680 412456433 /nfs/dbraw/zinc/45/64/33/412456433.db2.gz OBTUCCYVVQVLHO-GFCCVEGCSA-N -1 0 316.335 -0.250 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](Nc2ccc(C(=O)[O-])nn2)C1 ZINC000400138056 412458596 /nfs/dbraw/zinc/45/85/96/412458596.db2.gz UXOQDHLXSOLWAS-MRVPVSSYSA-N -1 0 300.340 0.011 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1ncncc1C(=O)[O-] ZINC000579838325 412460611 /nfs/dbraw/zinc/46/06/11/412460611.db2.gz QTNFJOUWZOIHOE-SCZZXKLOSA-N -1 0 314.367 0.305 20 0 DBADRM CC[C@@H]1C[C@@H](C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])CCO1 ZINC000333579111 287270857 /nfs/dbraw/zinc/27/08/57/287270857.db2.gz NOXSHMHSFMXNDL-AEJSXWLSSA-N -1 0 324.337 -0.016 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCS(C)(=O)=O ZINC000215513838 287410759 /nfs/dbraw/zinc/41/07/59/287410759.db2.gz VZRUYNMDBKCHFY-JTQLQIEISA-N -1 0 313.397 -0.310 20 0 DBADRM COCCNC(=O)CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000665608288 418974492 /nfs/dbraw/zinc/97/44/92/418974492.db2.gz XGYBZYARHFUBDI-UHFFFAOYSA-N -1 0 320.305 -0.478 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000650402857 418942011 /nfs/dbraw/zinc/94/20/11/418942011.db2.gz VFAUCYWRKQWMDL-LSJOCFKGSA-N -1 0 317.367 -0.487 20 0 DBADRM COc1cncc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c1 ZINC000558590479 418942174 /nfs/dbraw/zinc/94/21/74/418942174.db2.gz OBJKEYMJHVKUMQ-XVKPBYJWSA-N -1 0 302.308 -0.701 20 0 DBADRM Cn1nncc1S(=O)(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000650413578 418942194 /nfs/dbraw/zinc/94/21/94/418942194.db2.gz IIUGCFGMYZZLKP-JTQLQIEISA-N -1 0 324.318 -0.144 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)c1 ZINC000558591241 418942227 /nfs/dbraw/zinc/94/22/27/418942227.db2.gz SZAMXSXLJWWITF-UHFFFAOYSA-N -1 0 315.351 -0.116 20 0 DBADRM CC(C)OCCS(=O)(=O)N1CCN([C@@H](C)C(=O)[O-])CC1 ZINC000093297641 418942363 /nfs/dbraw/zinc/94/23/63/418942363.db2.gz GSNLLAOAIFXXAU-NSHDSACASA-N -1 0 308.400 -0.168 20 0 DBADRM Cn1nncc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)(F)F ZINC000650419796 418943140 /nfs/dbraw/zinc/94/31/40/418943140.db2.gz YMEHNCYCDCJXKO-YFKPBYRVSA-N -1 0 316.261 -0.253 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1)C1CC1 ZINC000650446673 418946915 /nfs/dbraw/zinc/94/69/15/418946915.db2.gz GQKOAOCZBSRCJB-IEBDPFPHSA-N -1 0 307.368 -0.085 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@H](C(=O)[O-])O1 ZINC000650445697 418947069 /nfs/dbraw/zinc/94/70/69/418947069.db2.gz RXMCDDQIKIBABU-UKKRHICBSA-N -1 0 322.383 -0.486 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000666007305 418963767 /nfs/dbraw/zinc/96/37/67/418963767.db2.gz CGNIHQHOWKUGAY-NSHDSACASA-N -1 0 323.397 -0.202 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000666176795 418977913 /nfs/dbraw/zinc/97/79/13/418977913.db2.gz ICWJUWFVPOVRHG-QMMMGPOBSA-N -1 0 302.356 -0.341 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1=O ZINC000666534620 418983568 /nfs/dbraw/zinc/98/35/68/418983568.db2.gz MDKLBUALMRSRCY-RCWTZXSCSA-N -1 0 311.338 -0.509 20 0 DBADRM COc1ccnc(N2CCN(C(=O)c3cc(=O)n(C)[n-]3)CC2)n1 ZINC000666965593 418988754 /nfs/dbraw/zinc/98/87/54/418988754.db2.gz FLYAOFRXRAUFOT-UHFFFAOYSA-N -1 0 318.337 -0.113 20 0 DBADRM C[C@H]1OCC[C@]12CN(C(=O)Cn1cc(C(=O)[O-])nn1)C[C@@H](C)O2 ZINC000668314996 544423784 /nfs/dbraw/zinc/42/37/84/544423784.db2.gz CCAIIHZCQOZBPX-RULNRJAQSA-N -1 0 324.337 -0.229 20 0 DBADRM O=C([O-])CCC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000668299599 544424637 /nfs/dbraw/zinc/42/46/37/544424637.db2.gz MEBUHWXNVYNVFG-SNVBAGLBSA-N -1 0 304.368 -0.122 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000668308707 544424741 /nfs/dbraw/zinc/42/47/41/544424741.db2.gz ISBQMIJYGVCRER-NSHDSACASA-N -1 0 307.368 -0.194 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000668299900 544424887 /nfs/dbraw/zinc/42/48/87/544424887.db2.gz WUPNPONOXDBYEL-OUAUKWLOSA-N -1 0 316.379 -0.266 20 0 DBADRM C[C@@]1(C(F)F)CN(C(=O)Cn2cc(C(=O)[O-])nn2)CCO1 ZINC000668297094 544425049 /nfs/dbraw/zinc/42/50/49/544425049.db2.gz HPDMPVQPNKURSY-NSHDSACASA-N -1 0 304.253 -0.141 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000668299898 544425164 /nfs/dbraw/zinc/42/51/64/544425164.db2.gz WUPNPONOXDBYEL-GMTAPVOTSA-N -1 0 316.379 -0.266 20 0 DBADRM COCCCS(=O)(=O)N1CCN(C(=O)CCC(=O)[O-])CC1 ZINC000668303771 544425189 /nfs/dbraw/zinc/42/51/89/544425189.db2.gz TZKDQUXJQKWJPI-UHFFFAOYSA-N -1 0 322.383 -0.638 20 0 DBADRM COCCNC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000170302975 544433199 /nfs/dbraw/zinc/43/31/99/544433199.db2.gz VVJRBMCYYXUTBV-SNVBAGLBSA-N -1 0 313.354 -0.260 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)cc1C(N)=O ZINC000092181763 544446555 /nfs/dbraw/zinc/44/65/55/544446555.db2.gz JJEJBVZVXZXASV-JGVFFNPUSA-N -1 0 313.335 -0.568 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650429593 544448517 /nfs/dbraw/zinc/44/85/17/544448517.db2.gz QILQJVZNXLNTBK-QMMMGPOBSA-N -1 0 311.323 -0.518 20 0 DBADRM CN(C1CC1)S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650429798 544448591 /nfs/dbraw/zinc/44/85/91/544448591.db2.gz XMBVQRVQTCDNEO-VIFPVBQESA-N -1 0 300.340 -0.599 20 0 DBADRM O=C(NCCN1C(=O)CCC1=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000668747450 544492305 /nfs/dbraw/zinc/49/23/05/544492305.db2.gz GMKQXXGMUZFEAV-UHFFFAOYSA-N -1 0 304.262 -0.193 20 0 DBADRM O=C([O-])c1csc(CNC(=O)N2CCS(=O)(=O)CC2)n1 ZINC000090933956 544471252 /nfs/dbraw/zinc/47/12/52/544471252.db2.gz GXZPQQSHFNFEAM-UHFFFAOYSA-N -1 0 319.364 -0.219 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000074733768 544475067 /nfs/dbraw/zinc/47/50/67/544475067.db2.gz FNAKHCSTZBVKRE-UHFFFAOYSA-N -1 0 319.296 -0.028 20 0 DBADRM CCN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000231816188 544476419 /nfs/dbraw/zinc/47/64/19/544476419.db2.gz JZNNOSOLZIMXRD-UHFFFAOYSA-N -1 0 303.340 -0.298 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)Cn1nc2n(c1=O)CCCC2)C1CC1 ZINC000653289050 544501781 /nfs/dbraw/zinc/50/17/81/544501781.db2.gz ICKWHXUDVKNIFG-SECBINFHSA-N -1 0 308.338 -0.155 20 0 DBADRM C[C@H](CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])n1ccnc1 ZINC000653289980 544502706 /nfs/dbraw/zinc/50/27/06/544502706.db2.gz FHUYPKSSGASBBN-ZJUUUORDSA-N -1 0 315.351 -0.456 20 0 DBADRM C[C@@H](CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])n1ccnc1 ZINC000653289979 544502717 /nfs/dbraw/zinc/50/27/17/544502717.db2.gz FHUYPKSSGASBBN-VHSXEESVSA-N -1 0 315.351 -0.456 20 0 DBADRM CC(C)(CCNC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)[O-] ZINC000653289846 544502834 /nfs/dbraw/zinc/50/28/34/544502834.db2.gz ABDLABWPEHHMJC-UHFFFAOYSA-N -1 0 310.354 -0.002 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)Cn2nc3n(c2=O)CCCC3)cn1 ZINC000653291133 544502850 /nfs/dbraw/zinc/50/28/50/544502850.db2.gz SHSNLYYTGYGSHE-UHFFFAOYSA-N -1 0 320.309 -0.699 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@@H]1C(=O)[O-] ZINC000653291071 544502896 /nfs/dbraw/zinc/50/28/96/544502896.db2.gz QSBTWXKCSUVWLH-MNOVXSKESA-N -1 0 322.365 -0.050 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC000653290028 544502947 /nfs/dbraw/zinc/50/29/47/544502947.db2.gz HMMQHUWEQDTDBS-MNOVXSKESA-N -1 0 322.365 -0.050 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000111252311 544519832 /nfs/dbraw/zinc/51/98/32/544519832.db2.gz XYCQILCLHNCRDR-BBBLOLIVSA-N -1 0 304.368 -0.411 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000044613341 544528768 /nfs/dbraw/zinc/52/87/68/544528768.db2.gz ZATDDFAKUALDKQ-SNVBAGLBSA-N -1 0 306.384 -0.020 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000044612872 544528777 /nfs/dbraw/zinc/52/87/77/544528777.db2.gz OOEIZJNXILOGOV-MRVPVSSYSA-N -1 0 303.340 -0.392 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2cc(=O)n(C)[n-]2)C(=O)N1c1cnn(C)c1 ZINC000669360509 544555481 /nfs/dbraw/zinc/55/54/81/544555481.db2.gz GWOIWIZJNGNCLM-LDYMZIIASA-N -1 0 318.337 -0.217 20 0 DBADRM COCCN1C[C@@H](C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1=O ZINC000087477322 544581376 /nfs/dbraw/zinc/58/13/76/544581376.db2.gz OKOWOVOYXAUMCB-QWRGUYRKSA-N -1 0 300.355 -0.046 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400255487 544636345 /nfs/dbraw/zinc/63/63/45/544636345.db2.gz FIYJTMQBMWRZAP-BDAKNGLRSA-N -1 0 306.384 -0.117 20 0 DBADRM CC(C)(CNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)NS(C)(=O)=O ZINC000097091428 544618115 /nfs/dbraw/zinc/61/81/15/544618115.db2.gz DMHVXNFOHUCHQY-DTWKUNHWSA-N -1 0 321.399 -0.133 20 0 DBADRM CCn1cc(CNS(=O)(=O)c2scnc2C(=O)[O-])nn1 ZINC000404453469 544645815 /nfs/dbraw/zinc/64/58/15/544645815.db2.gz ICNMUGWEYQJFHK-UHFFFAOYSA-N -1 0 317.352 -0.069 20 0 DBADRM C[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@H](C(=O)[O-])O1 ZINC000262087474 544652800 /nfs/dbraw/zinc/65/28/00/544652800.db2.gz AAGJRDHVRPOTPU-NXEZZACHSA-N -1 0 319.379 -0.098 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000262195696 544655685 /nfs/dbraw/zinc/65/56/85/544655685.db2.gz UALAZWYBDIMNRR-NXEZZACHSA-N -1 0 304.368 -0.505 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])O2)CCN1S(C)(=O)=O ZINC000683341284 544660266 /nfs/dbraw/zinc/66/02/66/544660266.db2.gz NURXJSQOKYLCOC-IVZWLZJFSA-N -1 0 320.367 -0.889 20 0 DBADRM CC(C)[C@H](CNC(=O)NCC(=O)N1CCOCC1)C(=O)[O-] ZINC000385550906 544668703 /nfs/dbraw/zinc/66/87/03/544668703.db2.gz IPBOJYDBDXSEGN-JTQLQIEISA-N -1 0 301.343 -0.499 20 0 DBADRM CC(C)[C@H](CNC(=O)Cn1nc2ccccn2c1=O)C(=O)[O-] ZINC000387787157 544679340 /nfs/dbraw/zinc/67/93/40/544679340.db2.gz JZIIXWDAHGFXEP-JTQLQIEISA-N -1 0 306.322 -0.031 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000111823940 544680070 /nfs/dbraw/zinc/68/00/70/544680070.db2.gz DBJOBNYECLFSII-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000682521395 544643355 /nfs/dbraw/zinc/64/33/55/544643355.db2.gz KPNCIMIRMMMQON-UWVGGRQHSA-N -1 0 320.367 -0.888 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N(CC(=O)[O-])CC1CC1 ZINC000036884521 544733609 /nfs/dbraw/zinc/73/36/09/544733609.db2.gz QZAZQBKBTAVNJX-SNVBAGLBSA-N -1 0 304.368 -0.266 20 0 DBADRM CCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@H]1CC(=O)NC1=O ZINC000667694525 544747222 /nfs/dbraw/zinc/74/72/22/544747222.db2.gz RVOHPJFABJYJOH-ZETCQYMHSA-N -1 0 304.262 -0.194 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000672296804 544768824 /nfs/dbraw/zinc/76/88/24/544768824.db2.gz VGUNVNNPERTHBF-UHFFFAOYSA-N -1 0 321.215 -0.871 20 0 DBADRM COCCOCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000667187677 544737492 /nfs/dbraw/zinc/73/74/92/544737492.db2.gz NWCAZHCISUDCKI-UHFFFAOYSA-N -1 0 318.351 -0.568 20 0 DBADRM CN1C[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)CCC1=O ZINC000318886496 544743227 /nfs/dbraw/zinc/74/32/27/544743227.db2.gz HENWDGOXKGLRNM-JTQLQIEISA-N -1 0 313.354 -0.212 20 0 DBADRM CN1CCC(=O)Nc2cc(C(=O)NCc3nnn[n-]3)ccc21 ZINC000673668296 544808455 /nfs/dbraw/zinc/80/84/55/544808455.db2.gz TZFUUONOHXDFLY-UHFFFAOYSA-N -1 0 301.310 -0.092 20 0 DBADRM CN1CCOc2ccc(NC(=O)C(=O)NCc3nnn[n-]3)cc21 ZINC000673784558 544809582 /nfs/dbraw/zinc/80/95/82/544809582.db2.gz JVXOWFRFWHEEGB-UHFFFAOYSA-N -1 0 317.309 -0.717 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000673122525 544796314 /nfs/dbraw/zinc/79/63/14/544796314.db2.gz UWRCDOCHTNBFEX-OOZYFLPDSA-N -1 0 311.367 -0.285 20 0 DBADRM Cc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1S(N)(=O)=O ZINC000674719300 544835538 /nfs/dbraw/zinc/83/55/38/544835538.db2.gz VYRBYFYKNZSDAK-UHFFFAOYSA-N -1 0 311.323 -0.604 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)C1 ZINC000674744038 544835946 /nfs/dbraw/zinc/83/59/46/544835946.db2.gz ZUFAEXPTYATZBR-NWDGAFQWSA-N -1 0 302.338 -0.264 20 0 DBADRM O=C([O-])CCN(C(=O)CCN1CCCS1(=O)=O)C1CC1 ZINC000675969586 544855984 /nfs/dbraw/zinc/85/59/84/544855984.db2.gz YKJNDVJSDFDUFH-UHFFFAOYSA-N -1 0 304.368 -0.122 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CCO1 ZINC000676019689 544855552 /nfs/dbraw/zinc/85/55/52/544855552.db2.gz UYHNAWISUMOVDD-DCAQKATOSA-N -1 0 324.333 -0.526 20 0 DBADRM Cc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1-n1cnnn1 ZINC000676019600 544856339 /nfs/dbraw/zinc/85/63/39/544856339.db2.gz RHNCRLHLUPYUBW-LBPRGKRZSA-N -1 0 317.305 -0.104 20 0 DBADRM CC(C)CCn1ccc(NC(=O)C(=O)NCc2nnn[n-]2)n1 ZINC000675927711 544854818 /nfs/dbraw/zinc/85/48/18/544854818.db2.gz FAJXAZLWPQMULR-UHFFFAOYSA-N -1 0 306.330 -0.303 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000676209656 544859786 /nfs/dbraw/zinc/85/97/86/544859786.db2.gz BWHDGRAWKBRRKT-UHFFFAOYSA-N -1 0 318.307 -0.885 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)COc1ccc(C(N)=O)cc1 ZINC000676209291 544859854 /nfs/dbraw/zinc/85/98/54/544859854.db2.gz LCZCAJFCMMVPHY-UHFFFAOYSA-N -1 0 310.306 -0.276 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N1CCO[C@H](C(=O)[O-])C1)n1cccn1 ZINC000676215895 544859983 /nfs/dbraw/zinc/85/99/83/544859983.db2.gz QWQWKHIXIUHGGE-QWRGUYRKSA-N -1 0 324.337 -0.786 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c1[O-] ZINC000676698032 544875639 /nfs/dbraw/zinc/87/56/39/544875639.db2.gz KLKRZTHVHJLACQ-VIFPVBQESA-N -1 0 304.310 -0.307 20 0 DBADRM COCCN(C(=O)c1n[nH]c(C)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000676689092 544876277 /nfs/dbraw/zinc/87/62/77/544876277.db2.gz PLVPLRHYCHIUMP-SECBINFHSA-N -1 0 317.367 -0.301 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000677111367 544884606 /nfs/dbraw/zinc/88/46/06/544884606.db2.gz IBPSDKKNJJRZHW-MRVPVSSYSA-N -1 0 302.356 -0.565 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000050929871 544951654 /nfs/dbraw/zinc/95/16/54/544951654.db2.gz GEVBAFSSQDOGRT-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H](c2nnn[n-]2)C1)N1C(=O)CCC1=O ZINC000678754931 544920237 /nfs/dbraw/zinc/92/02/37/544920237.db2.gz PANUNHBEOFOVRR-IUCAKERBSA-N -1 0 306.326 -0.557 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000678978872 544924057 /nfs/dbraw/zinc/92/40/57/544924057.db2.gz MGYNXWVHFDAXHD-SNVBAGLBSA-N -1 0 324.399 -0.442 20 0 DBADRM O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000678995184 544924658 /nfs/dbraw/zinc/92/46/58/544924658.db2.gz YLDQEPZPWHFBRN-QMMMGPOBSA-N -1 0 315.289 -0.182 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C(C)(C)C1 ZINC000679116237 544925284 /nfs/dbraw/zinc/92/52/84/544925284.db2.gz UNEJCEFDWMKEHU-UHFFFAOYSA-N -1 0 324.341 -0.499 20 0 DBADRM CCNC(=O)CCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000679655169 544936339 /nfs/dbraw/zinc/93/63/39/544936339.db2.gz RHYFJJLSQAGBCS-SECBINFHSA-N -1 0 301.343 -0.660 20 0 DBADRM COc1ccc(C(=O)NCc2nnn[n-]2)cc1-n1cnnn1 ZINC000679800924 544938582 /nfs/dbraw/zinc/93/85/82/544938582.db2.gz YXYSVLSKVWJCMN-UHFFFAOYSA-N -1 0 301.270 -0.886 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000679904232 544940517 /nfs/dbraw/zinc/94/05/17/544940517.db2.gz BEQKWLRXOUWYID-UHFFFAOYSA-N -1 0 301.310 -0.272 20 0 DBADRM COc1c(NC(=O)NCc2n[nH]c(=O)[n-]2)cccc1C(N)=O ZINC000679886993 544941051 /nfs/dbraw/zinc/94/10/51/544941051.db2.gz AJALVPKUPXCUOL-UHFFFAOYSA-N -1 0 306.282 -0.061 20 0 DBADRM COCCC(=O)N1CCO[C@@H](CN(CC(=O)[O-])C(C)=O)C1 ZINC000681942839 544988841 /nfs/dbraw/zinc/98/88/41/544988841.db2.gz FKVJMXDAUOXRLE-LLVKDONJSA-N -1 0 302.327 -0.817 20 0 DBADRM O=C(N[C@@H]1CN(c2ccccc2)C1=O)c1n[nH]c(=O)[n-]c1=O ZINC000681067819 544961844 /nfs/dbraw/zinc/96/18/44/544961844.db2.gz TVORLSWVHZIQSO-MRVPVSSYSA-N -1 0 301.262 -0.572 20 0 DBADRM C[C@](O)(CNC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)[O-] ZINC000681130077 544963780 /nfs/dbraw/zinc/96/37/80/544963780.db2.gz PQBPVSXDXQXJKQ-AWEZNQCLSA-N -1 0 321.289 -0.545 20 0 DBADRM Cc1noc2ncc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc12 ZINC000681555588 544974498 /nfs/dbraw/zinc/97/44/98/544974498.db2.gz DDFGJCNVRLLVFZ-MUWHJKNJSA-N -1 0 315.307 -0.356 20 0 DBADRM COc1cc(F)c(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(F)c1 ZINC000681558570 544974661 /nfs/dbraw/zinc/97/46/61/544974661.db2.gz UKINTOICURVMIY-QMMMGPOBSA-N -1 0 311.262 -0.303 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)CC[C@H]1CCCO1 ZINC000681555491 544975043 /nfs/dbraw/zinc/97/50/43/544975043.db2.gz BPQRZIUHVFIWGB-GHMZBOCLSA-N -1 0 317.367 -0.106 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N(CCO)CCC(=O)[O-])C[C@H](C)O1 ZINC000681585526 544975750 /nfs/dbraw/zinc/97/57/50/544975750.db2.gz WJFRSZFUNMGVBX-UWVGGRQHSA-N -1 0 310.372 -0.891 20 0 DBADRM CC(C)N(CCC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC000681583246 544975959 /nfs/dbraw/zinc/97/59/59/544975959.db2.gz HTTDEBXYQQITSR-UHFFFAOYSA-N -1 0 315.413 -0.064 20 0 DBADRM CC[C@@H](CNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000681569756 544976085 /nfs/dbraw/zinc/97/60/85/544976085.db2.gz DYSVMKKOPVXQPY-QMMMGPOBSA-N -1 0 301.386 -0.549 20 0 DBADRM NC(=O)c1cc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)n[nH]1 ZINC000681661636 544978344 /nfs/dbraw/zinc/97/83/44/544978344.db2.gz ZIDLEPDWHJGXJM-UHFFFAOYSA-N -1 0 320.281 -0.229 20 0 DBADRM CCN(C(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1)[C@H](C)CS(C)(=O)=O ZINC000682522502 545000279 /nfs/dbraw/zinc/00/02/79/545000279.db2.gz HFUYBNLZAREUBW-UTLUCORTSA-N -1 0 307.368 -0.100 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H](C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)O1 ZINC000682524294 545000316 /nfs/dbraw/zinc/00/03/16/545000316.db2.gz QJBZFVUZYARFOM-DCAQKATOSA-N -1 0 317.363 -0.203 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC000682525352 545000612 /nfs/dbraw/zinc/00/06/12/545000612.db2.gz QNSCACUPIRWWQM-TUAOUCFPSA-N -1 0 306.318 -0.169 20 0 DBADRM CC(=O)N1CC(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)C1 ZINC000682687496 545003727 /nfs/dbraw/zinc/00/37/27/545003727.db2.gz NBOOHHQFNFZADX-GFCCVEGCSA-N -1 0 300.322 -0.116 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)C2CC(C(=O)[O-])C2)C1 ZINC000682702055 545004715 /nfs/dbraw/zinc/00/47/15/545004715.db2.gz XWRFSSYAFCHRSO-RTBKNWGFSA-N -1 0 304.368 -0.363 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)C3CC(C(=O)[O-])C3)C2=O)cn1 ZINC000682703387 545005122 /nfs/dbraw/zinc/00/51/22/545005122.db2.gz GVMCCSAIJATPDX-AMUVOQDHSA-N -1 0 306.322 -0.248 20 0 DBADRM CN(C1CC1)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000683434224 545009753 /nfs/dbraw/zinc/00/97/53/545009753.db2.gz MNVXZNSTXBHSTB-CMPLNLGQSA-N -1 0 304.368 -0.252 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)c[nH]1 ZINC000683433774 545010320 /nfs/dbraw/zinc/01/03/20/545010320.db2.gz FWPYQXGWYMRBLY-CABZTGNLSA-N -1 0 315.351 -0.170 20 0 DBADRM CN1CC[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000684488449 545021111 /nfs/dbraw/zinc/02/11/11/545021111.db2.gz SHAFRNDOWYBMDO-MRVPVSSYSA-N -1 0 317.305 -0.213 20 0 DBADRM CN1CC[C@H](C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)C1=O ZINC000684492866 545021228 /nfs/dbraw/zinc/02/12/28/545021228.db2.gz NDMBMBWCFHDZKV-SNVBAGLBSA-N -1 0 302.294 -0.215 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)NCCCS(C)(=O)=O ZINC000684727049 545023165 /nfs/dbraw/zinc/02/31/65/545023165.db2.gz UFRUHQVNGODAOQ-VIFPVBQESA-N -1 0 310.372 -0.448 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)NCCCN(C)S(C)(=O)=O)C1CC1 ZINC000684721128 545023334 /nfs/dbraw/zinc/02/33/34/545023334.db2.gz NEMMFABGZQABJI-SECBINFHSA-N -1 0 321.399 -0.085 20 0 DBADRM Cc1nnnn1-c1cccc(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)O)c1 ZINC000684746535 545023840 /nfs/dbraw/zinc/02/38/40/545023840.db2.gz XMOXQIGIDSZOQB-WRWORJQWSA-N -1 0 320.309 -0.074 20 0 DBADRM CC(C)c1nc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c[nH]1 ZINC000685598441 545033250 /nfs/dbraw/zinc/03/32/50/545033250.db2.gz OHAFUUICVAMCNY-UHFFFAOYSA-N -1 0 301.328 -0.270 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(CN2CCOCC2)cn1 ZINC000685770714 545034369 /nfs/dbraw/zinc/03/43/69/545034369.db2.gz ADILSIYYIQTGSO-UHFFFAOYSA-N -1 0 318.337 -0.333 20 0 DBADRM O=C(NCCCc1nc(=O)[nH][nH]1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000176267883 545036018 /nfs/dbraw/zinc/03/60/18/545036018.db2.gz VOUYUYUZEOUVJZ-SNVBAGLBSA-N -1 0 321.381 -0.062 20 0 DBADRM COCC[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000052784660 545037946 /nfs/dbraw/zinc/03/79/46/545037946.db2.gz BFXFCGUCBPKXCO-VHSXEESVSA-N -1 0 322.383 -0.594 20 0 DBADRM COCCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000228690671 265676624 /nfs/dbraw/zinc/67/66/24/265676624.db2.gz XRCHJZJONATJQT-UHFFFAOYSA-N -1 0 320.323 -0.673 20 0 DBADRM C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000396638858 265721991 /nfs/dbraw/zinc/72/19/91/265721991.db2.gz GIIMAGCEVWLQDV-RYUDHWBXSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000399096038 265722166 /nfs/dbraw/zinc/72/21/66/265722166.db2.gz SPGFGPBROAEQQX-RKDXNWHRSA-N -1 0 311.338 -0.114 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)CNC(=O)c1ncccc1O)C1CC1 ZINC000417430481 265745282 /nfs/dbraw/zinc/74/52/82/265745282.db2.gz XRWVMGTYFKRJLD-QMMMGPOBSA-N -1 0 307.306 -0.019 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])CC1=O ZINC000420563540 265861431 /nfs/dbraw/zinc/86/14/31/265861431.db2.gz ORQFMSBRWXHYJA-KXUCPTDWSA-N -1 0 311.338 -0.907 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000420535926 265861524 /nfs/dbraw/zinc/86/15/24/265861524.db2.gz YEEGXGZATNIOSL-UHFFFAOYSA-N -1 0 308.290 -0.035 20 0 DBADRM CCNC(=O)C1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000422625720 265879251 /nfs/dbraw/zinc/87/92/51/265879251.db2.gz HMPVENARTSFRLW-UHFFFAOYSA-N -1 0 319.317 -0.082 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCN(c2ccccn2)CC1 ZINC000422707246 265879585 /nfs/dbraw/zinc/87/95/85/265879585.db2.gz HAOOVJHHNDCCSE-UHFFFAOYSA-N -1 0 320.349 -0.337 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000422697504 265880115 /nfs/dbraw/zinc/88/01/15/265880115.db2.gz UTPWSYGXPYMFHK-VHSXEESVSA-N -1 0 314.338 -0.375 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@H]1C(C)(C)O)C(=O)[O-] ZINC000422828621 265881232 /nfs/dbraw/zinc/88/12/32/265881232.db2.gz OOOADTDCDCTWLY-UWVGGRQHSA-N -1 0 300.355 -0.073 20 0 DBADRM COCCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC000422875061 265882008 /nfs/dbraw/zinc/88/20/08/265882008.db2.gz BLPILEOCJIDAPF-MNOVXSKESA-N -1 0 316.354 -0.571 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C[C@H]1OC ZINC000422868821 265882446 /nfs/dbraw/zinc/88/24/46/265882446.db2.gz WFHDMIXIJQVDRB-IVZWLZJFSA-N -1 0 302.327 -0.962 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](CF)C2)C1 ZINC000422931382 265883318 /nfs/dbraw/zinc/88/33/18/265883318.db2.gz XNSXMTVEEROYET-ZANVPECISA-N -1 0 302.302 -0.494 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000422927012 265883766 /nfs/dbraw/zinc/88/37/66/265883766.db2.gz XWYSUKCXXRYSNB-UHFFFAOYSA-N -1 0 311.338 -0.953 20 0 DBADRM CCOCCOC1CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC000422911171 265883999 /nfs/dbraw/zinc/88/39/99/265883999.db2.gz KBWFYIBXEQTERI-JTQLQIEISA-N -1 0 316.354 -0.571 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)C(=O)N(C)CCCC(=O)[O-])C1 ZINC000422880453 265884021 /nfs/dbraw/zinc/88/40/21/265884021.db2.gz LXRZBVLJMYVXBO-CQSZACIVSA-N -1 0 314.338 -0.279 20 0 DBADRM Cc1[nH]nc([N-]S(=O)(=O)CCOCC2CC2)c1C(N)=O ZINC000424067674 265922645 /nfs/dbraw/zinc/92/26/45/265922645.db2.gz WPKVMRQPFVVSRQ-UHFFFAOYSA-N -1 0 302.356 -0.015 20 0 DBADRM CCCn1cc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cn1 ZINC000424235114 265927198 /nfs/dbraw/zinc/92/71/98/265927198.db2.gz FLDDWVNOJWPWED-SNVBAGLBSA-N -1 0 315.351 -0.383 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(F)(F)F ZINC000424245495 265928249 /nfs/dbraw/zinc/92/82/49/265928249.db2.gz PAXSRWFHDUMOHW-RITPCOANSA-N -1 0 303.258 -0.105 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1cccnc1 ZINC000424248651 265928741 /nfs/dbraw/zinc/92/87/41/265928741.db2.gz SIDFWNLIGXNDQS-ONGXEEELSA-N -1 0 312.347 -0.105 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424365403 265930585 /nfs/dbraw/zinc/93/05/85/265930585.db2.gz GVKIOTRAUODDIJ-OPRDCNLKSA-N -1 0 306.384 -0.022 20 0 DBADRM CC[C@@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)OC ZINC000424395816 265931935 /nfs/dbraw/zinc/93/19/35/265931935.db2.gz FWDGGLCTYZBJES-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM COc1nc(C)cc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424469887 265935079 /nfs/dbraw/zinc/93/50/79/265935079.db2.gz KSSKTBWTHXMARM-QMMMGPOBSA-N -1 0 301.324 -0.518 20 0 DBADRM CCOC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424457363 265935511 /nfs/dbraw/zinc/93/55/11/265935511.db2.gz YOISFTWXYXCKSO-VIFPVBQESA-N -1 0 322.383 -0.305 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCc1ccnn1C)C(=O)[O-] ZINC000424522632 265938341 /nfs/dbraw/zinc/93/83/41/265938341.db2.gz RZDYAMUQICQYSX-JTQLQIEISA-N -1 0 310.354 -0.101 20 0 DBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000430327774 266002808 /nfs/dbraw/zinc/00/28/08/266002808.db2.gz MRJYTZVAEGNTEF-ZCFIWIBFSA-N -1 0 321.370 -0.193 20 0 DBADRM NC(=O)COCCNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000433050834 266036269 /nfs/dbraw/zinc/03/62/69/266036269.db2.gz DLCPQRFYRXTXBF-UHFFFAOYSA-N -1 0 322.296 -0.051 20 0 DBADRM CCOC[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)NC)o1 ZINC000433352767 266039397 /nfs/dbraw/zinc/03/93/97/266039397.db2.gz JZZATFXONOQXDL-QMMMGPOBSA-N -1 0 306.340 -0.685 20 0 DBADRM CCOC[C@H](O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000433365149 266041148 /nfs/dbraw/zinc/04/11/48/266041148.db2.gz PFUHJVWUIHZXRY-MRVPVSSYSA-N -1 0 308.294 -0.437 20 0 DBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2nnn[n-]2)c1 ZINC000435199191 266058797 /nfs/dbraw/zinc/05/87/97/266058797.db2.gz VEINLQPXHFEXHJ-UHFFFAOYSA-N -1 0 312.355 -0.560 20 0 DBADRM COC(=O)[C@H](C)CN(C(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC000435372752 266061460 /nfs/dbraw/zinc/06/14/60/266061460.db2.gz SJHREJWTHUFTEL-MRVPVSSYSA-N -1 0 309.322 -0.100 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C)nn2C)cn1 ZINC000437403304 266074694 /nfs/dbraw/zinc/07/46/94/266074694.db2.gz GBUAUGZSBHZYIU-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM CCC[C@]1(C)C(=O)NCCN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000438627293 266081914 /nfs/dbraw/zinc/08/19/14/266081914.db2.gz AFHCHSFXCZCNOF-CYBMUJFWSA-N -1 0 309.326 -0.399 20 0 DBADRM CC[C@@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)N1CCCC1=O ZINC000439153722 266087410 /nfs/dbraw/zinc/08/74/10/266087410.db2.gz PTMJOKMGPNVIAG-ZETCQYMHSA-N -1 0 315.355 -0.452 20 0 DBADRM Cn1nnc2cc(C(=O)NCc3cn(CC(=O)[O-])nn3)ccc21 ZINC000439701418 266092952 /nfs/dbraw/zinc/09/29/52/266092952.db2.gz WSSCLXSJHDAXQF-UHFFFAOYSA-N -1 0 315.293 -0.426 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2cnc(C(=O)[O-])cn2)CC1=O ZINC000439925773 266094173 /nfs/dbraw/zinc/09/41/73/266094173.db2.gz CFAIIKDIZXZNAJ-VHSKPIJISA-N -1 0 304.306 -0.086 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)c2cnn3c2CCCC3)n[n-]1 ZINC000442570771 266125795 /nfs/dbraw/zinc/12/57/95/266125795.db2.gz JMKNRYLIOKZNJA-UHFFFAOYSA-N -1 0 310.339 -0.007 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]c2ncn(C)c2C(N)=O)nc1C ZINC000442613905 266127089 /nfs/dbraw/zinc/12/70/89/266127089.db2.gz FQCBZFKHIACJMT-UHFFFAOYSA-N -1 0 312.355 -0.155 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000442755690 266128410 /nfs/dbraw/zinc/12/84/10/266128410.db2.gz ZREPXFYOWZUFNC-SECBINFHSA-N -1 0 321.399 -0.386 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@@H]1C)C(=O)OC ZINC000442735572 266128567 /nfs/dbraw/zinc/12/85/67/266128567.db2.gz JNDXDNHOYWXMSH-VGMNWLOBSA-N -1 0 309.340 -0.812 20 0 DBADRM CC(C)N1C[C@H](NS(=O)(=O)[N-]CC(F)(F)F)CC1=O ZINC000442990506 266133239 /nfs/dbraw/zinc/13/32/39/266133239.db2.gz LYESOUIAOZRYPN-SSDOTTSWSA-N -1 0 303.306 -0.018 20 0 DBADRM CC(C)N1C[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)CC1=O ZINC000442990508 266133821 /nfs/dbraw/zinc/13/38/21/266133821.db2.gz LYESOUIAOZRYPN-ZETCQYMHSA-N -1 0 303.306 -0.018 20 0 DBADRM NC(=O)[C@H]1CSCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000443051409 266135829 /nfs/dbraw/zinc/13/58/29/266135829.db2.gz SRPGLRGSDKKWAG-RXMQYKEDSA-N -1 0 307.319 -0.714 20 0 DBADRM CCN1CCN(S(=O)(=O)[N-]CC(F)(F)F)[C@H](C)C1=O ZINC000443199233 266138462 /nfs/dbraw/zinc/13/84/62/266138462.db2.gz DONBUHAWCFVOLN-SSDOTTSWSA-N -1 0 303.306 -0.064 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)NC[C@H](CO)[C@H]1CCOC1 ZINC000443222611 266139036 /nfs/dbraw/zinc/13/90/36/266139036.db2.gz LIIDKAOCAPGQTK-JGVFFNPUSA-N -1 0 306.306 -0.382 20 0 DBADRM Cn1cc(/C=C\C(=O)NC2(C(=O)[O-])CCCC2)c(=O)n(C)c1=O ZINC000492159019 266155265 /nfs/dbraw/zinc/15/52/65/266155265.db2.gz XXVSZGGISLQAOY-WAYWQWQTSA-N -1 0 321.333 -0.389 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000492143090 266155727 /nfs/dbraw/zinc/15/57/27/266155727.db2.gz XZSUWGAGPZOLCK-WAYWQWQTSA-N -1 0 309.322 -0.580 20 0 DBADRM Cn1cc(/C=C/C(=O)NC2(C(=O)[O-])CCC2)c(=O)n(C)c1=O ZINC000492385364 266159738 /nfs/dbraw/zinc/15/97/38/266159738.db2.gz IUHWWYLZRCJGQK-SNAWJCMRSA-N -1 0 307.306 -0.779 20 0 DBADRM CCCC[C@@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000492473805 266161379 /nfs/dbraw/zinc/16/13/79/266161379.db2.gz NLPNNCQLXNGLMY-SKVAFPRGSA-N -1 0 323.349 -0.143 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000492424759 266161775 /nfs/dbraw/zinc/16/17/75/266161775.db2.gz FQRDXNYLJXSAPK-RQOWECAXSA-N -1 0 312.303 -0.640 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000492620975 266163019 /nfs/dbraw/zinc/16/30/19/266163019.db2.gz ULVJWZBGNIQLJL-DUXPYHPUSA-N -1 0 310.331 -0.434 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)/C=C/c1cnc(OC)nc1 ZINC000492732814 266164226 /nfs/dbraw/zinc/16/42/26/266164226.db2.gz GUSXFSJRBIOXOY-ONEGZZNKSA-N -1 0 301.324 -0.409 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)/C=C\c1cnc(OC)nc1 ZINC000492732969 266164437 /nfs/dbraw/zinc/16/44/37/266164437.db2.gz HAQSORNEVPMPIE-WBSSQXGSSA-N -1 0 315.351 -0.021 20 0 DBADRM Cc1c(/C=C/C(=O)[N-]S(=O)(=O)c2cnnn2C)cnn1C ZINC000492743125 266165537 /nfs/dbraw/zinc/16/55/37/266165537.db2.gz XVTXUOBPCCFHMU-SNAWJCMRSA-N -1 0 310.339 -0.625 20 0 DBADRM CCC(CC)(NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000493022983 266168561 /nfs/dbraw/zinc/16/85/61/266168561.db2.gz LEKGESRSOOVNRO-FPLPWBNLSA-N -1 0 323.349 -0.143 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)/C=C\c2cncc(O)c2)C1 ZINC000493151849 266170432 /nfs/dbraw/zinc/17/04/32/266170432.db2.gz MTUVLIAGTQUKLL-OTDNITJGSA-N -1 0 311.363 -0.050 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)/C=C/c1cncc(F)c1 ZINC000493088155 266170643 /nfs/dbraw/zinc/17/06/43/266170643.db2.gz HDMKHVZCQDDQNQ-NSCUHMNNSA-N -1 0 311.298 -0.133 20 0 DBADRM CN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(C)(C)C(=O)[O-] ZINC000493225259 266173552 /nfs/dbraw/zinc/17/35/52/266173552.db2.gz FEEMLCUTGWNQJM-SREVYHEPSA-N -1 0 309.322 -0.581 20 0 DBADRM CCn1nccc1/C=C\C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000493351501 266174499 /nfs/dbraw/zinc/17/44/99/266174499.db2.gz KDRXJWDFTWKBSS-ARJAWSKDSA-N -1 0 304.310 -0.091 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)C=Cc1cscn1 ZINC000493402633 266175288 /nfs/dbraw/zinc/17/52/88/266175288.db2.gz QLODQOFNUVWGHC-JQSQLHRZSA-N -1 0 321.318 -0.051 20 0 DBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)/C=C\c2ccnn2C)cn1 ZINC000493524695 266178264 /nfs/dbraw/zinc/17/82/64/266178264.db2.gz MMXZLFYCXNUBIM-ARJAWSKDSA-N -1 0 309.351 -0.187 20 0 DBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1)C(C)C ZINC000495084302 266200604 /nfs/dbraw/zinc/20/06/04/266200604.db2.gz FIUNRZBVOBPRNJ-ZJUUUORDSA-N -1 0 322.383 -0.008 20 0 DBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1)C(C)C ZINC000495084301 266200699 /nfs/dbraw/zinc/20/06/99/266200699.db2.gz FIUNRZBVOBPRNJ-UWVGGRQHSA-N -1 0 322.383 -0.008 20 0 DBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CNC(=O)OC)cn1 ZINC000495281971 266202284 /nfs/dbraw/zinc/20/22/84/266202284.db2.gz QXECTVMXEKETMM-UHFFFAOYSA-N -1 0 317.323 -0.359 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)[N-]OCCO)=NO1 ZINC000495418701 266205935 /nfs/dbraw/zinc/20/59/35/266205935.db2.gz OOMNQBZLEAROPI-MRVPVSSYSA-N -1 0 303.315 -0.304 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000495851714 266220235 /nfs/dbraw/zinc/22/02/35/266220235.db2.gz SIOVULIATPRGFR-UHFFFAOYSA-N -1 0 324.355 -0.622 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000495957031 266222873 /nfs/dbraw/zinc/22/28/73/266222873.db2.gz KHAUMNLWVFSCJG-UHFFFAOYSA-N -1 0 307.353 -0.045 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)OC[C@H]2CCCO2)CCS1(=O)=O ZINC000496110551 266226385 /nfs/dbraw/zinc/22/63/85/266226385.db2.gz XNNKFHNTPKGXIO-BDAKNGLRSA-N -1 0 307.324 -0.514 20 0 DBADRM COC(=O)N1CCC(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC000496229237 266229615 /nfs/dbraw/zinc/22/96/15/266229615.db2.gz RYBXWBOXAHTFFX-VHSXEESVSA-N -1 0 300.311 -0.034 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)OCC(F)(F)F)CCS1(=O)=O ZINC000496380626 266233762 /nfs/dbraw/zinc/23/37/62/266233762.db2.gz ALCIOPNUMRJOJR-YFKPBYRVSA-N -1 0 305.230 -0.131 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ncc(Cl)cn1 ZINC000496376609 266234411 /nfs/dbraw/zinc/23/44/11/266234411.db2.gz QMMWHJHIFGNNMC-YFKPBYRVSA-N -1 0 322.730 -0.321 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000496449233 266236397 /nfs/dbraw/zinc/23/63/97/266236397.db2.gz GKVZYESVVTULGJ-UHFFFAOYSA-N -1 0 317.323 -0.407 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000496518100 266238122 /nfs/dbraw/zinc/23/81/22/266238122.db2.gz ILRJYPBAXONQHE-IUYQGCFVSA-N -1 0 321.340 -0.655 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)Nc1n[nH]nc1C(N)=O ZINC000496686408 266243051 /nfs/dbraw/zinc/24/30/51/266243051.db2.gz RVEOFTVMNLIPBZ-NTSWFWBYSA-N -1 0 310.314 -0.245 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)NCC(=O)[O-])cc1 ZINC000514685314 266263661 /nfs/dbraw/zinc/26/36/61/266263661.db2.gz OXOIEONSYSMORC-UHFFFAOYSA-N -1 0 315.351 -0.343 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCCCC(=O)[O-])cn1 ZINC000515060065 266267861 /nfs/dbraw/zinc/26/78/61/266267861.db2.gz UOKVHPUPSKXBGS-UHFFFAOYSA-N -1 0 301.324 -0.416 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1C ZINC000515265976 266270714 /nfs/dbraw/zinc/27/07/14/266270714.db2.gz UBZXTNIDQHOONW-SNVBAGLBSA-N -1 0 320.371 -0.733 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)C1 ZINC000515302374 266270900 /nfs/dbraw/zinc/27/09/00/266270900.db2.gz RUFLMLCWZOUFCS-YFCNSXCBSA-N -1 0 313.350 -0.012 20 0 DBADRM COC[C@@H](NC(=O)NCCCOC[C@@H]1CCCO1)C(=O)[O-] ZINC000515582246 266273842 /nfs/dbraw/zinc/27/38/42/266273842.db2.gz KUWJEQIPOKRQGA-WDEREUQCSA-N -1 0 304.343 -0.029 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)N1CCOCC1 ZINC000515500741 266274144 /nfs/dbraw/zinc/27/41/44/266274144.db2.gz UMYZVPURXRRBEX-WDEREUQCSA-N -1 0 309.370 -0.063 20 0 DBADRM CS(=O)(=O)Nc1cccc(CNC(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000515936446 266276066 /nfs/dbraw/zinc/27/60/66/266276066.db2.gz UHUKDEWNPZTIGS-UHFFFAOYSA-N -1 0 311.323 -0.188 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)CCCC1 ZINC000516001562 266276641 /nfs/dbraw/zinc/27/66/41/266276641.db2.gz SJCFTKONRWDVRW-DTWKUNHWSA-N -1 0 323.367 -0.527 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](CF)C(=O)[O-])cn1C ZINC000516058589 266276814 /nfs/dbraw/zinc/27/68/14/266276814.db2.gz IROHJPAMOINSNP-SSDOTTSWSA-N -1 0 307.303 -0.914 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000516290884 266280791 /nfs/dbraw/zinc/28/07/91/266280791.db2.gz ALENYEZDAYITBQ-VIFPVBQESA-N -1 0 322.383 -0.594 20 0 DBADRM Cc1ccc(CNC(=O)c2cnc([O-])n(C)c2=O)c(=O)n1C ZINC000516615571 266283365 /nfs/dbraw/zinc/28/33/65/266283365.db2.gz ZQVHLMYTCQPQJN-UHFFFAOYSA-N -1 0 304.306 -0.577 20 0 DBADRM O=C([O-])c1cn(CCNc2cc(N3CCOCC3)ncn2)nn1 ZINC000516773893 266285178 /nfs/dbraw/zinc/28/51/78/266285178.db2.gz CEEJTYJBRAPEBH-UHFFFAOYSA-N -1 0 319.325 -0.285 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)N(C)[C@@H]2COC[C@H]2O)s[n-]1 ZINC000516895575 266287199 /nfs/dbraw/zinc/28/71/99/266287199.db2.gz HVJWASXYCWOTQA-BWZBUEFSSA-N -1 0 302.356 -0.109 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cnn(C)c1C ZINC000517138153 266290412 /nfs/dbraw/zinc/29/04/12/266290412.db2.gz XTXVHMLNVAHQBP-LLVKDONJSA-N -1 0 305.356 -0.113 20 0 DBADRM COCCCN(C(=O)[C@@H](C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000517142583 266290486 /nfs/dbraw/zinc/29/04/86/266290486.db2.gz RXAKTILWCYXSJQ-ZJUUUORDSA-N -1 0 307.368 -0.241 20 0 DBADRM C[C@@H](COC1CCCC1)CS(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000517377500 266293602 /nfs/dbraw/zinc/29/36/02/266293602.db2.gz VHCCTUSMOIWRAK-ONGXEEELSA-N -1 0 309.384 -0.053 20 0 DBADRM CCOc1ccnc(N2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)n1 ZINC000517984488 266297629 /nfs/dbraw/zinc/29/76/29/266297629.db2.gz TXONPNRGNYDUKM-UHFFFAOYSA-N -1 0 319.325 -0.339 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000518038647 266298710 /nfs/dbraw/zinc/29/87/10/266298710.db2.gz WQYGPYPAGNKJDX-LLVKDONJSA-N -1 0 324.399 -0.235 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000518184754 266300074 /nfs/dbraw/zinc/30/00/74/266300074.db2.gz DNTHOSNGTAVSDB-ZJUUUORDSA-N -1 0 321.399 -0.625 20 0 DBADRM COC[C@@H](NC(=O)NCCCOC1CCOCC1)C(=O)[O-] ZINC000518294761 266300436 /nfs/dbraw/zinc/30/04/36/266300436.db2.gz VOIHMPYDQGKNME-LLVKDONJSA-N -1 0 304.343 -0.029 20 0 DBADRM CCNC(=O)COc1ccc(CN=c2nn[n-]n2C)cc1OC ZINC000518595120 266302701 /nfs/dbraw/zinc/30/27/01/266302701.db2.gz KONWLGDGMNYCCW-UHFFFAOYSA-N -1 0 320.353 -0.232 20 0 DBADRM Cn1ccnc(N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c1=O ZINC000518542557 266302727 /nfs/dbraw/zinc/30/27/27/266302727.db2.gz ZHYRQRGYFWMZOT-VIFPVBQESA-N -1 0 304.310 -0.089 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1c(C)cnn1C ZINC000518765091 266302983 /nfs/dbraw/zinc/30/29/83/266302983.db2.gz KEQQRTAXUPSXFH-LLVKDONJSA-N -1 0 305.356 -0.113 20 0 DBADRM CN1CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1=O ZINC000519541989 266310169 /nfs/dbraw/zinc/31/01/69/266310169.db2.gz VVATWAXOAJQHEN-SNVBAGLBSA-N -1 0 311.338 -1.000 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000519595082 266311320 /nfs/dbraw/zinc/31/13/20/266311320.db2.gz GIUZMGBHJCZWTQ-SNVBAGLBSA-N -1 0 304.372 -0.032 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccnn2C)C1 ZINC000519759434 266314950 /nfs/dbraw/zinc/31/49/50/266314950.db2.gz JQAXNSHGSBRGLB-GFCCVEGCSA-N -1 0 317.367 -0.078 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NC[C@H](CC(=O)[O-])OC)CCC1 ZINC000519737265 266315328 /nfs/dbraw/zinc/31/53/28/266315328.db2.gz BYUHSKWQUICCQR-VIFPVBQESA-N -1 0 323.367 -0.261 20 0 DBADRM NC(=O)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]1)Cc1ccc(F)cc1 ZINC000521628217 266329774 /nfs/dbraw/zinc/32/97/74/266329774.db2.gz LPYJBXIAEKVKFL-MRVPVSSYSA-N -1 0 307.285 -0.277 20 0 DBADRM CS(=O)(=O)c1cccc(CS(=O)(=O)NCCC(=O)[O-])c1 ZINC000521869949 266330085 /nfs/dbraw/zinc/33/00/85/266330085.db2.gz YRGYQWAFFFJWIZ-UHFFFAOYSA-N -1 0 321.376 -0.016 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000522060168 266333813 /nfs/dbraw/zinc/33/38/13/266333813.db2.gz GFQJANQGDIXCRG-LLVKDONJSA-N -1 0 320.301 -0.112 20 0 DBADRM O=C(NC[C@H]1CS(=O)(=O)CCO1)c1cccc2n[nH]nc21 ZINC000527112305 266354102 /nfs/dbraw/zinc/35/41/02/266354102.db2.gz GSFOMFXSSLRFJO-QMMMGPOBSA-N -1 0 310.335 -0.499 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000527484525 266358218 /nfs/dbraw/zinc/35/82/18/266358218.db2.gz QWRWRWZYIGQEMO-ZJUUUORDSA-N -1 0 322.383 -0.231 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]1(C)Br ZINC000528993110 266382649 /nfs/dbraw/zinc/38/26/49/266382649.db2.gz IGHSDFPUPAVEMT-YLWLKBPMSA-N -1 0 323.172 -0.207 20 0 DBADRM CC1(c2nc(=NC(=O)[C@@H]3CCS(=O)(=O)N3)s[n-]2)CC1 ZINC000529699805 266393162 /nfs/dbraw/zinc/39/31/62/266393162.db2.gz BLDYDKSFWOJULZ-LURJTMIESA-N -1 0 302.381 -0.358 20 0 DBADRM CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(=O)[nH][n-]1 ZINC000529752795 266398189 /nfs/dbraw/zinc/39/81/89/266398189.db2.gz OVLLLZDUAKFQRR-CQSZACIVSA-N -1 0 310.354 -0.539 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530148897 266405593 /nfs/dbraw/zinc/40/55/93/266405593.db2.gz CARHNOQQTRGETE-BDAKNGLRSA-N -1 0 303.340 -0.409 20 0 DBADRM C[C@H](NS(=O)(=O)c1c(C(=O)[O-])cnn1C)c1cnn(C)c1 ZINC000530155324 266405658 /nfs/dbraw/zinc/40/56/58/266405658.db2.gz RIVBDHYDJGQDSB-ZETCQYMHSA-N -1 0 313.339 -0.109 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cnc2n1CCC2)CC(=O)[O-] ZINC000530382760 266409917 /nfs/dbraw/zinc/40/99/17/266409917.db2.gz XXUYUDDNKFKWQU-QMMMGPOBSA-N -1 0 303.340 -0.403 20 0 DBADRM C[C@H](C(=O)[O-])C1CN(S(=O)(=O)N2CCOC(C)(C)C2)C1 ZINC000530424633 266410553 /nfs/dbraw/zinc/41/05/53/266410553.db2.gz XBKOXXLRICFZPJ-VIFPVBQESA-N -1 0 306.384 -0.006 20 0 DBADRM CC(C)(NC(=O)Cc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000531999402 269567859 /nfs/dbraw/zinc/56/78/59/269567859.db2.gz ZFRHGZJWVBPBKZ-UHFFFAOYSA-N -1 0 300.336 -0.144 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CSC(=O)N1)[C@@H](C)C(=O)[O-] ZINC000262282811 278106262 /nfs/dbraw/zinc/10/62/62/278106262.db2.gz WYKDIBOLSAFLSC-XPUUQOCRSA-N -1 0 303.340 -0.751 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cn(C)cn1 ZINC000262496517 278112971 /nfs/dbraw/zinc/11/29/71/278112971.db2.gz YIKWDUYDLCUBNG-QMMMGPOBSA-N -1 0 318.355 -0.980 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000263339387 278932934 /nfs/dbraw/zinc/93/29/34/278932934.db2.gz XDISEUWPPIGPMW-SNVBAGLBSA-N -1 0 307.368 -0.241 20 0 DBADRM CC(C)C[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000063142299 279193378 /nfs/dbraw/zinc/19/33/78/279193378.db2.gz LJNPQGVZUPTJJO-QMMMGPOBSA-N -1 0 301.386 -0.550 20 0 DBADRM CC(C)[C@@H]1C(=O)NCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC000332749464 279939798 /nfs/dbraw/zinc/93/97/98/279939798.db2.gz UNNRFOUTQGEBJE-LLVKDONJSA-N -1 0 303.322 -0.381 20 0 DBADRM CC(C)[C@H](C(=O)N1CC[C@H](C(=O)[O-])C1)N1CCCS1(=O)=O ZINC000262097509 280158611 /nfs/dbraw/zinc/15/86/11/280158611.db2.gz HANUBHZJBULSKD-WDEREUQCSA-N -1 0 318.395 -0.020 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)Cc2cnn(C)c2)C1=O ZINC000358715387 280188391 /nfs/dbraw/zinc/18/83/91/280188391.db2.gz OCZWOBZYRAVTLC-WCQYABFASA-N -1 0 322.365 -0.211 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000424511272 289579692 /nfs/dbraw/zinc/57/96/92/289579692.db2.gz SUSYXSSMWBYGEJ-SNVBAGLBSA-N -1 0 309.326 -0.625 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CCCCS1(=O)=O ZINC000262864445 293242433 /nfs/dbraw/zinc/24/24/33/293242433.db2.gz DTCYPJRJIZAQJI-SKDRFNHKSA-N -1 0 307.368 -0.050 20 0 DBADRM CO[C@@H](CNC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)[O-] ZINC000263059872 293530084 /nfs/dbraw/zinc/53/00/84/293530084.db2.gz HKHSLUDVDKQBSA-NSHDSACASA-N -1 0 307.306 -0.444 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)NC[C@H](C)S(N)(=O)=O)s[n-]1 ZINC000350640925 294340740 /nfs/dbraw/zinc/34/07/40/294340740.db2.gz ZQSPFYTXUSSXSL-NTSWFWBYSA-N -1 0 323.400 -0.534 20 0 DBADRM CO[C@H](CNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)C(=O)[O-] ZINC000261642348 294449607 /nfs/dbraw/zinc/44/96/07/294449607.db2.gz LANOEZUENLUKMN-JOAULVNJSA-N -1 0 302.352 -0.344 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c(C)c1 ZINC000274907368 295198737 /nfs/dbraw/zinc/19/87/37/295198737.db2.gz JORJNUUOLONWBB-VIFPVBQESA-N -1 0 316.335 -0.389 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000080989089 295504656 /nfs/dbraw/zinc/50/46/56/295504656.db2.gz AFDWHHKGGWCJMF-VIFPVBQESA-N -1 0 313.397 -0.310 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC000262257395 295517130 /nfs/dbraw/zinc/51/71/30/295517130.db2.gz XHDUJJNENXQMDQ-ZJUUUORDSA-N -1 0 304.368 -0.409 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)N(C)CCC(=O)[O-])CC1=O ZINC000420573440 297306407 /nfs/dbraw/zinc/30/64/07/297306407.db2.gz ZSNTYPRGBYKFFK-UTLUCORTSA-N -1 0 311.338 -0.955 20 0 DBADRM C[C@@H]1[C@H](C)N(S(=O)(=O)[N-]CC(F)(F)F)CCS1(=O)=O ZINC000195270940 297761914 /nfs/dbraw/zinc/76/19/14/297761914.db2.gz IIJIQGZUXOPZET-NKWVEPMBSA-N -1 0 324.346 -0.110 20 0 DBADRM C[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1N1CCOCC1 ZINC000333114128 300205771 /nfs/dbraw/zinc/20/57/71/300205771.db2.gz FZJHYARPVVBGLK-JQWIXIFHSA-N -1 0 322.365 -0.721 20 0 DBADRM Cc1cc(C)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])s1 ZINC000292423828 301199148 /nfs/dbraw/zinc/19/91/48/301199148.db2.gz KZUDQOQEQFAJPN-SSDOTTSWSA-N -1 0 306.365 -0.028 20 0 DBADRM Cc1cccc(F)c1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000274897353 301992380 /nfs/dbraw/zinc/99/23/80/301992380.db2.gz HHSFWWJXKPJSJW-QMMMGPOBSA-N -1 0 304.299 -0.259 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000129473042 302484514 /nfs/dbraw/zinc/48/45/14/302484514.db2.gz LMLUSZVOEFRHFS-SECBINFHSA-N -1 0 303.340 -0.109 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000037414639 302748179 /nfs/dbraw/zinc/74/81/79/302748179.db2.gz XILTVIHUQPGWNA-RKDXNWHRSA-N -1 0 303.340 -0.755 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CC1OCCCO1 ZINC000408125596 302748327 /nfs/dbraw/zinc/74/83/27/302748327.db2.gz BRNXQRJOMSDATJ-UHFFFAOYSA-N -1 0 317.367 -0.005 20 0 DBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)c1=O ZINC000408498297 303031957 /nfs/dbraw/zinc/03/19/57/303031957.db2.gz MTNICERMRREHNL-KXUCPTDWSA-N -1 0 314.367 -0.784 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC000271394186 303252467 /nfs/dbraw/zinc/25/24/67/303252467.db2.gz LQVNYZFYQMBMAZ-ZDUSSCGKSA-N -1 0 311.313 -0.268 20 0 DBADRM NC(=O)Cn1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)nn1 ZINC000262385835 303262517 /nfs/dbraw/zinc/26/25/17/303262517.db2.gz MBNABXCAWSNZDS-LSJOCFKGSA-N -1 0 321.337 -0.379 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)O1 ZINC000408116084 303303982 /nfs/dbraw/zinc/30/39/82/303303982.db2.gz UDUIRBLPTOHYQJ-KXUCPTDWSA-N -1 0 320.367 -0.966 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)[N-]CC(F)(F)F ZINC000369617204 303321347 /nfs/dbraw/zinc/32/13/47/303321347.db2.gz MKVJOZAWPLPOKJ-FXQIFTODSA-N -1 0 315.317 -0.031 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)NC3CCCC3)cc-2c(=O)[n-]1 ZINC000175326575 304813875 /nfs/dbraw/zinc/81/38/75/304813875.db2.gz SYGHQUZVILNLGA-UHFFFAOYSA-N -1 0 310.335 -0.168 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000427747211 533696795 /nfs/dbraw/zinc/69/67/95/533696795.db2.gz KKHAADKCGLTRAO-SSDOTTSWSA-N -1 0 320.305 -0.775 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000570629777 332787114 /nfs/dbraw/zinc/78/71/14/332787114.db2.gz WNTNVLCWRBRHNS-APPZFPTMSA-N -1 0 301.324 -0.093 20 0 DBADRM CNC(=O)[C@@H](CN=c1nn[n-]n1C)Cc1ccc(OC)c(F)c1 ZINC000570839880 332827460 /nfs/dbraw/zinc/82/74/60/332827460.db2.gz RAEHDKUIZKJOQE-SNVBAGLBSA-N -1 0 322.344 -0.204 20 0 DBADRM CCS(=O)(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000170306530 332850562 /nfs/dbraw/zinc/85/05/62/332850562.db2.gz WMXJOIGFTQBWIV-VIFPVBQESA-N -1 0 304.368 -0.266 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000584056359 331655740 /nfs/dbraw/zinc/65/57/40/331655740.db2.gz NKZRFOXUNVRHND-SECBINFHSA-N -1 0 310.372 -0.831 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-] ZINC000584057265 331656682 /nfs/dbraw/zinc/65/66/82/331656682.db2.gz XGTDNOXQAAQDDZ-GJMOJQLCSA-N -1 0 310.397 -0.359 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CC(=O)N1 ZINC000584107406 331741958 /nfs/dbraw/zinc/74/19/58/331741958.db2.gz XKKNJDNLCMKKHP-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)[C@@H]1CCO[C@H]1C)C(=O)[O-] ZINC000584116967 331834457 /nfs/dbraw/zinc/83/44/57/331834457.db2.gz QIABBUHCPTVHLC-LPEHRKFASA-N -1 0 323.367 -0.120 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC000569366684 332064735 /nfs/dbraw/zinc/06/47/35/332064735.db2.gz GABZNLSCYNZGJH-HTQZYQBOSA-N -1 0 313.335 -0.178 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)CCOCC1CCCC1 ZINC000569438604 332082947 /nfs/dbraw/zinc/08/29/47/332082947.db2.gz ALGNHCIXEDOEIL-UHFFFAOYSA-N -1 0 322.383 -0.687 20 0 DBADRM COCC1(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)CC1 ZINC000569461087 332093372 /nfs/dbraw/zinc/09/33/72/332093372.db2.gz MIDYZCUSXJUYEM-BDAKNGLRSA-N -1 0 320.367 -0.854 20 0 DBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1cnn2c1OCCC2 ZINC000569481461 332101074 /nfs/dbraw/zinc/10/10/74/332101074.db2.gz HOWNTFRQMJVBJC-QMMMGPOBSA-N -1 0 317.323 -0.860 20 0 DBADRM CC(C)(CCS(=O)(=O)N[C@H](CF)C(=O)[O-])S(C)(=O)=O ZINC000569599170 332191580 /nfs/dbraw/zinc/19/15/80/332191580.db2.gz NQHORCXNWQAXHE-SSDOTTSWSA-N -1 0 319.376 -0.458 20 0 DBADRM CC(C)(CCS(=O)(=O)N[C@@H](CF)C(=O)[O-])S(C)(=O)=O ZINC000569599171 332191636 /nfs/dbraw/zinc/19/16/36/332191636.db2.gz NQHORCXNWQAXHE-ZETCQYMHSA-N -1 0 319.376 -0.458 20 0 DBADRM COCCNC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000566227893 332260643 /nfs/dbraw/zinc/26/06/43/332260643.db2.gz PSGPBLANXRXNAY-UHFFFAOYSA-N -1 0 323.305 -0.798 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)C2(C(=O)[O-])CC2)cn1 ZINC000566301786 332326033 /nfs/dbraw/zinc/32/60/33/332326033.db2.gz VLYLTLDAVKOBDC-UHFFFAOYSA-N -1 0 310.310 -0.551 20 0 DBADRM CC(C)(CCS(C)(=O)=O)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000582125127 332342069 /nfs/dbraw/zinc/34/20/69/332342069.db2.gz HOUPAXHRPVNURA-DTWKUNHWSA-N -1 0 307.368 -0.052 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cccc2c1OCC2 ZINC000574799271 332428461 /nfs/dbraw/zinc/42/84/61/332428461.db2.gz ZRFYPJVONIDQCV-UHFFFAOYSA-N -1 0 314.319 -0.899 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Cc2ccccc2O)CCS1(=O)=O ZINC000572720794 332657263 /nfs/dbraw/zinc/65/72/63/332657263.db2.gz AKEQGMIZZYFOKJ-LLVKDONJSA-N -1 0 313.331 -0.355 20 0 DBADRM COc1nc(N2CCN(S(C)(=O)=O)CC2)ccc1C(=O)[O-] ZINC000569726711 332672839 /nfs/dbraw/zinc/67/28/39/332672839.db2.gz CXSWAWGFXVTSEJ-UHFFFAOYSA-N -1 0 315.351 -0.130 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C(=O)[O-] ZINC000569847418 332685251 /nfs/dbraw/zinc/68/52/51/332685251.db2.gz VBMZTWGMTSYYGQ-IQJOONFLSA-N -1 0 323.367 -0.168 20 0 DBADRM COC(=O)COc1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000570010423 332702816 /nfs/dbraw/zinc/70/28/16/332702816.db2.gz CABFZTLQRAKMGZ-UHFFFAOYSA-N -1 0 321.289 -0.113 20 0 DBADRM CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)C1 ZINC000570166455 332720352 /nfs/dbraw/zinc/72/03/52/332720352.db2.gz IQEHSVWYTDIETI-CABZTGNLSA-N -1 0 306.384 -0.020 20 0 DBADRM CO[C@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2ccn(C)n2)C1 ZINC000570276144 332733104 /nfs/dbraw/zinc/73/31/04/332733104.db2.gz CVTWCMLLZAYUHN-IUCAKERBSA-N -1 0 303.340 -0.327 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-] ZINC000570412597 332752249 /nfs/dbraw/zinc/75/22/49/332752249.db2.gz AYWUKCRWIBKYKN-SECBINFHSA-N -1 0 317.367 -0.019 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000570450421 332757272 /nfs/dbraw/zinc/75/72/72/332757272.db2.gz FGIZTSKWJPUQRZ-UHFFFAOYSA-N -1 0 321.333 -0.153 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)[C@H]1CCCS1(=O)=O ZINC000580216441 333015987 /nfs/dbraw/zinc/01/59/87/333015987.db2.gz YFMIVQOKHQVFPV-DTWKUNHWSA-N -1 0 307.393 -0.018 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000584326015 333033372 /nfs/dbraw/zinc/03/33/72/333033372.db2.gz MMFHFHYSSHJDHO-KXUCPTDWSA-N -1 0 323.367 -0.717 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)cn1 ZINC000571407479 333785819 /nfs/dbraw/zinc/78/58/19/333785819.db2.gz AOSUXRVOFVKRNP-GZMMTYOYSA-N -1 0 316.335 -0.142 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cs1 ZINC000571581354 333817686 /nfs/dbraw/zinc/81/76/86/333817686.db2.gz DDQBJVBBOKBCKZ-ZCFIWIBFSA-N -1 0 309.321 -0.742 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000584346527 335678291 /nfs/dbraw/zinc/67/82/91/335678291.db2.gz ORRNDPASSPKDKE-SNVBAGLBSA-N -1 0 302.356 -0.278 20 0 DBADRM Cc1cccc(CNC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)n1 ZINC000583663993 336035184 /nfs/dbraw/zinc/03/51/84/336035184.db2.gz DUTLOHMAIIWHFZ-LLVKDONJSA-N -1 0 303.322 -0.164 20 0 DBADRM CN(C(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000580373347 336261480 /nfs/dbraw/zinc/26/14/80/336261480.db2.gz RORLZORORNJQFK-SBMIAAHKSA-N -1 0 302.352 -0.368 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000390183053 336934874 /nfs/dbraw/zinc/93/48/74/336934874.db2.gz CNRVZPSKNQZIHY-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCn3cncc3C2)C[C@H]1C(=O)[O-] ZINC000582546688 337103350 /nfs/dbraw/zinc/10/33/50/337103350.db2.gz FFZPJGYIMKXLFJ-CMPLNLGQSA-N -1 0 320.349 -0.206 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(C)C ZINC000394355775 337111576 /nfs/dbraw/zinc/11/15/76/337111576.db2.gz VEDNUSMQSFVUOT-JTQLQIEISA-N -1 0 305.356 -0.083 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)NCCCO[C@H]2CCOC2)CCOC1 ZINC000582643867 337114136 /nfs/dbraw/zinc/11/41/36/337114136.db2.gz DEJZOVPKVPHPIA-GXFFZTMASA-N -1 0 302.327 -0.275 20 0 DBADRM CC[C@@H]1CN(CCNC(=O)c2cnc([O-])n(C)c2=O)CCO1 ZINC000582702212 337122047 /nfs/dbraw/zinc/12/20/47/337122047.db2.gz YWBJILDOVFHDCF-SNVBAGLBSA-N -1 0 310.354 -0.674 20 0 DBADRM O=C(NC1CC1)c1n[nH]nc1NC(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000582712015 337123806 /nfs/dbraw/zinc/12/38/06/337123806.db2.gz NJFKTSQPORWWNT-ZETCQYMHSA-N -1 0 318.337 -0.354 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H](Cn2cc(C)cn2)C(=O)[O-])CC1 ZINC000582730892 337126714 /nfs/dbraw/zinc/12/67/14/337126714.db2.gz NZPZMOXUSZFOHH-JTQLQIEISA-N -1 0 317.367 -0.257 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)CCC2CCOCC2)CCOC1 ZINC000582941697 337220210 /nfs/dbraw/zinc/22/02/10/337220210.db2.gz BSZNUBZHJQNUSP-LBPRGKRZSA-N -1 0 307.368 -0.034 20 0 DBADRM CC(=O)NCCN(C(=O)c1cn2c(n1)CCC2)[C@@H](C)C(=O)[O-] ZINC000582964766 337220890 /nfs/dbraw/zinc/22/08/90/337220890.db2.gz IEYHBEMRIMGZNE-VIFPVBQESA-N -1 0 308.338 -0.119 20 0 DBADRM CNS(=O)(=O)c1ccc2c(c1)N(C[C@@](C)(O)C(=O)[O-])CC2 ZINC000582971184 337224565 /nfs/dbraw/zinc/22/45/65/337224565.db2.gz USVVLAVDUJPBGU-CYBMUJFWSA-N -1 0 314.363 -0.207 20 0 DBADRM C[C@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)N(C)CC2)C(=O)[O-] ZINC000583011740 337228809 /nfs/dbraw/zinc/22/88/09/337228809.db2.gz QCMALRRNWPDVSP-UFBFGSQYSA-N -1 0 314.363 -0.209 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)nn1 ZINC000583028748 337230707 /nfs/dbraw/zinc/23/07/07/337230707.db2.gz UHGUJQKADFOTLL-BDAKNGLRSA-N -1 0 310.310 -0.366 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NCCCn1cccn1 ZINC000583082455 337237337 /nfs/dbraw/zinc/23/73/37/337237337.db2.gz XZTSGZKSPPXPKE-SNVBAGLBSA-N -1 0 302.356 -0.343 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cn1 ZINC000583147769 337246025 /nfs/dbraw/zinc/24/60/25/337246025.db2.gz RABMKGMKCIZAGN-DGIBIBHMSA-N -1 0 318.376 -0.404 20 0 DBADRM O=C(Cn1nnnc1-c1ccsc1)NCCc1nc(=O)o[n-]1 ZINC000583265798 337294730 /nfs/dbraw/zinc/29/47/30/337294730.db2.gz ROKZKGSIWVVMBH-UHFFFAOYSA-N -1 0 321.322 -0.563 20 0 DBADRM COCCNC(=O)CNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013314255 337311124 /nfs/dbraw/zinc/31/11/24/337311124.db2.gz DTZVIPXEJWAYMH-UHFFFAOYSA-N -1 0 316.335 -0.574 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)CSCC(=O)[O-])O1 ZINC000583752623 337329487 /nfs/dbraw/zinc/32/94/87/337329487.db2.gz TUNXLIWQMDAICW-RKDXNWHRSA-N -1 0 304.368 -0.444 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C1 ZINC000020549486 337331416 /nfs/dbraw/zinc/33/14/16/337331416.db2.gz VHERRUBCQCWVNR-BDAKNGLRSA-N -1 0 307.372 -0.729 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c(C)c1F ZINC000583763835 337331585 /nfs/dbraw/zinc/33/15/85/337331585.db2.gz LRUOAZMDMPJZTK-SSDOTTSWSA-N -1 0 307.299 -0.133 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000020557769 337331747 /nfs/dbraw/zinc/33/17/47/337331747.db2.gz JZJWFVYNHWVAML-SSDOTTSWSA-N -1 0 322.364 -0.811 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000583814538 337337844 /nfs/dbraw/zinc/33/78/44/337337844.db2.gz BHTVZGRIPUPZDK-UHFFFAOYSA-N -1 0 306.384 -0.067 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(F)cc1Cl ZINC000035186347 337340347 /nfs/dbraw/zinc/34/03/47/337340347.db2.gz LXOIPQDILAZEIU-UHFFFAOYSA-N -1 0 324.717 -0.042 20 0 DBADRM CS(=O)(=O)NCCNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000035207859 337340473 /nfs/dbraw/zinc/34/04/73/337340473.db2.gz XWADSTMJQGDEPI-UHFFFAOYSA-N -1 0 322.364 -0.788 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(F)ccc1F ZINC000035094995 337341117 /nfs/dbraw/zinc/34/11/17/337341117.db2.gz YGCVCDNOCXSFKX-UHFFFAOYSA-N -1 0 308.262 -0.556 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cccc(Cl)c1F ZINC000035384507 337344394 /nfs/dbraw/zinc/34/43/94/337344394.db2.gz KGZOSOBYNSRWKX-UHFFFAOYSA-N -1 0 324.717 -0.042 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000037253052 337362338 /nfs/dbraw/zinc/36/23/38/337362338.db2.gz AGVIIAXTSPLIQO-UHFFFAOYSA-N -1 0 316.335 -0.484 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1C(N)=O ZINC000037420082 337363756 /nfs/dbraw/zinc/36/37/56/337363756.db2.gz AKTRKENUAXNKNF-XCBNKYQSSA-N -1 0 316.335 -0.794 20 0 DBADRM NS(=O)(=O)c1ccc(NC[C@H]2COCCO2)c(C(=O)[O-])c1 ZINC000038063144 337373799 /nfs/dbraw/zinc/37/37/99/337373799.db2.gz GYRQPHPFHXOPKU-QMMMGPOBSA-N -1 0 316.335 -0.141 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@H](OC)C[C@@H]1CC(=O)[O-] ZINC000571759296 337575370 /nfs/dbraw/zinc/57/53/70/337575370.db2.gz JFPVUNAMGIMIKZ-NXEZZACHSA-N -1 0 310.372 -0.627 20 0 DBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@H](CO)C1)C2 ZINC000572234221 337599571 /nfs/dbraw/zinc/59/95/71/337599571.db2.gz JVUISGYYTCEMDL-MQIPJXDCSA-N -1 0 324.377 -0.069 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-])cn1 ZINC000572400044 337632099 /nfs/dbraw/zinc/63/20/99/337632099.db2.gz MVBMSZIRMFDYBJ-IUCAKERBSA-N -1 0 305.356 -0.083 20 0 DBADRM CC(C)CN1C[C@H](C(=O)NCc2cn(CC(=O)[O-])nn2)CC1=O ZINC000321875380 337664710 /nfs/dbraw/zinc/66/47/10/337664710.db2.gz QZPCWNNWURMCNO-SNVBAGLBSA-N -1 0 323.353 -0.517 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)cn1 ZINC000566115647 341548011 /nfs/dbraw/zinc/54/80/11/341548011.db2.gz FFLJPUNHFAYWNO-NSHDSACASA-N -1 0 303.340 -0.185 20 0 DBADRM C[C@H]1CCN(C(=O)NCC(=O)N2CCOCC2)C[C@@H]1C(=O)[O-] ZINC000566181497 341550124 /nfs/dbraw/zinc/55/01/24/341550124.db2.gz MXJYIIRZPIZJMV-QWRGUYRKSA-N -1 0 313.354 -0.403 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC000566237788 341551563 /nfs/dbraw/zinc/55/15/63/341551563.db2.gz UECZQRGFAFMFHA-UHFFFAOYSA-N -1 0 313.354 -0.706 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2ncn(C)n2)C[C@H]1C(=O)[O-] ZINC000566241038 341551751 /nfs/dbraw/zinc/55/17/51/341551751.db2.gz QKAGDSJUDMZCOG-RKDXNWHRSA-N -1 0 309.326 -1.000 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NCCOCC(=O)[O-])s1 ZINC000566623599 341563388 /nfs/dbraw/zinc/56/33/88/341563388.db2.gz PMHNHQSVVQMEFJ-UHFFFAOYSA-N -1 0 323.352 -0.519 20 0 DBADRM CC(C)(C)c1cc(CS(=O)(=O)N[C@H](CO)C(=O)[O-])no1 ZINC000566740714 341566745 /nfs/dbraw/zinc/56/67/45/341566745.db2.gz MUVXRFLKCXMBCE-MRVPVSSYSA-N -1 0 306.340 -0.163 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)N2CCOCC2)CCSCC1 ZINC000566795457 341567959 /nfs/dbraw/zinc/56/79/59/341567959.db2.gz OZHYXEUNOAPLMD-UHFFFAOYSA-N -1 0 310.397 -0.497 20 0 DBADRM COC[C@H](C)S(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000567324173 341594841 /nfs/dbraw/zinc/59/48/41/341594841.db2.gz QZVPSUBIFNWZMG-UWVGGRQHSA-N -1 0 305.356 -0.401 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)CCCOCc1ccccc1 ZINC000309735502 341596625 /nfs/dbraw/zinc/59/66/25/341596625.db2.gz BVWKPLAQAHVEDV-GFCCVEGCSA-N -1 0 317.363 -0.042 20 0 DBADRM COC(=O)CCCS(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000311488732 341616899 /nfs/dbraw/zinc/61/68/99/341616899.db2.gz JFEPSRTUEMQGAX-LURJTMIESA-N -1 0 303.283 -0.033 20 0 DBADRM COC[C@@H](NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(C)C ZINC000567673571 341626672 /nfs/dbraw/zinc/62/66/72/341626672.db2.gz LILSXGQHCLZGAM-ZJUUUORDSA-N -1 0 322.383 -0.449 20 0 DBADRM C[C@@H](COC1CCCC1)CS(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000567754227 341631752 /nfs/dbraw/zinc/63/17/52/341631752.db2.gz VHCCTUSMOIWRAK-GXSJLCMTSA-N -1 0 309.384 -0.053 20 0 DBADRM CCO[C@@H]1C[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H]1OC ZINC000567794419 341633793 /nfs/dbraw/zinc/63/37/93/341633793.db2.gz XAWUIJGJVUTPLD-YIZRAAEISA-N -1 0 319.339 -0.421 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000567860271 341637365 /nfs/dbraw/zinc/63/73/65/341637365.db2.gz FROHFMGPGDCCSP-HLTSFMKQSA-N -1 0 304.368 -0.377 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)CSCC(=O)[O-])C1 ZINC000567860623 341637371 /nfs/dbraw/zinc/63/73/71/341637371.db2.gz UNKGVSWYGWPLND-QMMMGPOBSA-N -1 0 310.397 -0.656 20 0 DBADRM C[C@H]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)C[C@H]1C(=O)[O-] ZINC000567866306 341637743 /nfs/dbraw/zinc/63/77/43/341637743.db2.gz SNQOQXMFNXUWMP-JGVFFNPUSA-N -1 0 321.337 -0.080 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC(C)(C)[C@@H]1C(=O)[O-] ZINC000568000917 341644871 /nfs/dbraw/zinc/64/48/71/341644871.db2.gz FMBKNISFOZJPJO-IUCAKERBSA-N -1 0 306.384 -0.022 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(OC)nc1 ZINC000568002571 341644988 /nfs/dbraw/zinc/64/49/88/341644988.db2.gz GFKQFNKEBHBMJN-SECBINFHSA-N -1 0 304.324 -0.190 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)C[C@H]2CCCO2)CCOCC1 ZINC000165950576 341715206 /nfs/dbraw/zinc/71/52/06/341715206.db2.gz NMXGRVPKLNIFHS-SNVBAGLBSA-N -1 0 307.368 -0.034 20 0 DBADRM Cc1nnc([C@H]2CCCN(C(=O)C(=O)NCCCC(=O)[O-])C2)[nH]1 ZINC000573488648 341729694 /nfs/dbraw/zinc/72/96/94/341729694.db2.gz BMVRDSLNURXWKR-JTQLQIEISA-N -1 0 323.353 -0.200 20 0 DBADRM CCOc1ccncc1S(=O)(=O)NC[C@@H](OC)C(=O)[O-] ZINC000573680962 341735779 /nfs/dbraw/zinc/73/57/79/341735779.db2.gz LTIVYXPEPZCHBB-SECBINFHSA-N -1 0 304.324 -0.142 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000575321309 341792378 /nfs/dbraw/zinc/79/23/78/341792378.db2.gz WXOAEBYAMXXNRA-BDAKNGLRSA-N -1 0 322.383 -0.608 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)C(=O)[O-] ZINC000575969038 341817591 /nfs/dbraw/zinc/81/75/91/341817591.db2.gz IYEVGACGSOHCHZ-SECBINFHSA-N -1 0 317.367 -0.132 20 0 DBADRM C[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C(=O)[O-] ZINC000576466563 341847779 /nfs/dbraw/zinc/84/77/79/341847779.db2.gz STWRKVSNAWFXLS-VHSXEESVSA-N -1 0 306.384 -0.163 20 0 DBADRM CCCN(CC1CC1)S(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-] ZINC000576680311 341858186 /nfs/dbraw/zinc/85/81/86/341858186.db2.gz JAWCXRFJCAQDFE-SNVBAGLBSA-N -1 0 322.383 -0.041 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CCO)C[C@@H]1C(=O)[O-] ZINC000576876250 341867580 /nfs/dbraw/zinc/86/75/80/341867580.db2.gz RIRXXTPVNGVTLA-WOPDTQHZSA-N -1 0 312.366 -0.071 20 0 DBADRM NS(=O)(=O)c1cccnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC000580569272 341878472 /nfs/dbraw/zinc/87/84/72/341878472.db2.gz HJUXQHQIMSSATG-QMMMGPOBSA-N -1 0 301.324 -0.591 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)N2CCCC2)C[C@@]12CCOC2 ZINC000577045045 341880298 /nfs/dbraw/zinc/88/02/98/341880298.db2.gz BMCOFAQOGWHMDD-ZYHUDNBSSA-N -1 0 304.368 -0.250 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c(C(F)(F)F)n1 ZINC000580581416 341881251 /nfs/dbraw/zinc/88/12/51/341881251.db2.gz JWLNHQTURDUHCK-SCSAIBSYSA-N -1 0 317.245 -0.837 20 0 DBADRM Cc1cccnc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000192885373 341896229 /nfs/dbraw/zinc/89/62/29/341896229.db2.gz QYAIFXNJBQGANL-UHFFFAOYSA-N -1 0 310.335 -0.412 20 0 DBADRM CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)NCCCC(=O)[O-])C1 ZINC000577391965 341907701 /nfs/dbraw/zinc/90/77/01/341907701.db2.gz ZGCATYKSJDPMGH-JTQLQIEISA-N -1 0 321.399 -0.037 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N(C)[C@H](C)CC(=O)[O-] ZINC000577652060 341927549 /nfs/dbraw/zinc/92/75/49/341927549.db2.gz ZZKNLDJZNDVMDA-SNVBAGLBSA-N -1 0 324.399 -0.348 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC000577955832 341958100 /nfs/dbraw/zinc/95/81/00/341958100.db2.gz IYXFFWVFIBCGHZ-QMMMGPOBSA-N -1 0 304.324 -0.406 20 0 DBADRM CCCN(CCC)S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000578020244 341972334 /nfs/dbraw/zinc/97/23/34/341972334.db2.gz BFUHHPZIOQXSIC-UHFFFAOYSA-N -1 0 309.388 -0.466 20 0 DBADRM CCCc1nc(=NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)s[n-]1 ZINC000330868353 521468295 /nfs/dbraw/zinc/46/82/95/521468295.db2.gz WEONVLVIKZHYPD-SSDOTTSWSA-N -1 0 319.412 -0.193 20 0 DBADRM CC[C@H](C)[C@H](NS(=O)(=O)N(C)CCC(=O)OC)C(=O)[O-] ZINC000261619339 521981647 /nfs/dbraw/zinc/98/16/47/521981647.db2.gz BQYVSJUFGQKHIB-WPRPVWTQSA-N -1 0 310.372 -0.185 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000496265796 533858478 /nfs/dbraw/zinc/85/84/78/533858478.db2.gz SHARITAPNGZGBK-UHFFFAOYSA-N -1 0 304.328 -0.936 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000390133587 517744243 /nfs/dbraw/zinc/74/42/43/517744243.db2.gz CJWZBTRIFBZDAB-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)c1 ZINC000572714335 518191687 /nfs/dbraw/zinc/19/16/87/518191687.db2.gz FCGUSNBIZDZHRT-UHFFFAOYSA-N -1 0 315.351 -0.428 20 0 DBADRM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262444941 518569979 /nfs/dbraw/zinc/56/99/79/518569979.db2.gz DBESCAKNMDPMQG-OQPBUACISA-N -1 0 318.395 -0.114 20 0 DBADRM CC(C)(CCNC(=O)NCCCCS(N)(=O)=O)C(=O)[O-] ZINC000336830897 519215699 /nfs/dbraw/zinc/21/56/99/519215699.db2.gz HTRLWQSBQKJQRY-UHFFFAOYSA-N -1 0 309.388 -0.145 20 0 DBADRM CC(C)(CCNC(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000314469258 519216285 /nfs/dbraw/zinc/21/62/85/519216285.db2.gz FCZWTKMAACTDCS-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000373884987 519300969 /nfs/dbraw/zinc/30/09/69/519300969.db2.gz GOMIUNLPFQXLQM-VIFPVBQESA-N -1 0 323.315 -0.014 20 0 DBADRM CC(C)C[C@H](CNS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000094702929 519352017 /nfs/dbraw/zinc/35/20/17/519352017.db2.gz AJKYZSNKQBWGHB-SECBINFHSA-N -1 0 315.413 -0.303 20 0 DBADRM CC(=O)NCCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000299432297 534428335 /nfs/dbraw/zinc/42/83/35/534428335.db2.gz ATOOJJUSNQBIJA-UHFFFAOYSA-N -1 0 320.374 -0.063 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000263466558 519528888 /nfs/dbraw/zinc/52/88/88/519528888.db2.gz GIUOKOQYLKBCBV-NSHDSACASA-N -1 0 305.356 -0.347 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)NC1CCCC1 ZINC000263506861 519662737 /nfs/dbraw/zinc/66/27/37/519662737.db2.gz WAIMRYLWTSLYQV-VIFPVBQESA-N -1 0 321.399 -0.325 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000033450128 519663382 /nfs/dbraw/zinc/66/33/82/519663382.db2.gz KYLHAKQYJIOSIG-GFCCVEGCSA-N -1 0 301.343 -0.756 20 0 DBADRM CC(=O)N[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)C1CCCC1 ZINC000364528259 519691788 /nfs/dbraw/zinc/69/17/88/519691788.db2.gz GKWNZQMTGJDGJK-RYUDHWBXSA-N -1 0 322.369 -0.206 20 0 DBADRM CC(C)[C@H](NC(=O)COCC(=O)NCc1cccnc1)C(=O)[O-] ZINC000262721533 519818630 /nfs/dbraw/zinc/81/86/30/519818630.db2.gz AKCHJNWPKQFJSZ-AWEZNQCLSA-N -1 0 323.349 -0.060 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)CSCC(=O)[O-])C1 ZINC000262887779 520046908 /nfs/dbraw/zinc/04/69/08/520046908.db2.gz YOPRVCMWEDHTGX-QMMMGPOBSA-N -1 0 310.397 -0.656 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cnc2c(c1)NC(=O)CO2 ZINC000447634558 534500973 /nfs/dbraw/zinc/50/09/73/534500973.db2.gz RTKGDSPIXKELIS-UHFFFAOYSA-N -1 0 305.250 -0.939 20 0 DBADRM CCC[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(N)=O ZINC000343444717 520757579 /nfs/dbraw/zinc/75/75/79/520757579.db2.gz ILIOVWOPDWLNFX-MRVPVSSYSA-N -1 0 305.294 -0.180 20 0 DBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C)C(N)=O ZINC000346435407 520861188 /nfs/dbraw/zinc/86/11/88/520861188.db2.gz CVTNCZKHBLMIOW-NTSWFWBYSA-N -1 0 320.289 -0.336 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCc2cccc3c2OCO3)C1 ZINC000420542762 534536190 /nfs/dbraw/zinc/53/61/90/534536190.db2.gz LIKJKTTUSMUHKR-JTQLQIEISA-N -1 0 320.301 -0.035 20 0 DBADRM CCC[C@H](NC(=O)CCC(=O)N1CCOCC1)c1nnn[n-]1 ZINC000343772415 521123936 /nfs/dbraw/zinc/12/39/36/521123936.db2.gz ZPGLNOSRXLDORY-JTQLQIEISA-N -1 0 310.358 -0.204 20 0 DBADRM CCC[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000360571014 521169150 /nfs/dbraw/zinc/16/91/50/521169150.db2.gz SVOBWQYTQAXVCZ-QMMMGPOBSA-N -1 0 301.386 -0.406 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000037932301 521310099 /nfs/dbraw/zinc/31/00/99/521310099.db2.gz OIEGFTKOGGCBLQ-SECBINFHSA-N -1 0 308.356 -0.335 20 0 DBADRM CCCc1nc(=NC(=O)c2cn(CC(=O)N(C)C)nn2)s[n-]1 ZINC000338643160 521470450 /nfs/dbraw/zinc/47/04/50/521470450.db2.gz LUACNBFOMQUXBB-UHFFFAOYSA-N -1 0 323.382 -0.156 20 0 DBADRM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000061181574 521472568 /nfs/dbraw/zinc/47/25/68/521472568.db2.gz DHLLHBWIWCRZBK-QMMMGPOBSA-N -1 0 317.367 -0.002 20 0 DBADRM CCCN(CC(N)=O)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000346942752 521593946 /nfs/dbraw/zinc/59/39/46/521593946.db2.gz NEBJWMYATBLRRJ-UHFFFAOYSA-N -1 0 305.294 -0.227 20 0 DBADRM CCN1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1=O ZINC000331410662 521602136 /nfs/dbraw/zinc/60/21/36/521602136.db2.gz FZGJOQUWKZEMLA-SNVBAGLBSA-N -1 0 311.338 -1.000 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000338016086 521655649 /nfs/dbraw/zinc/65/56/49/521655649.db2.gz KDJHWOKRTUJVMV-ZETCQYMHSA-N -1 0 322.412 -0.113 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N[C@@](C)(COC)CC(=O)[O-] ZINC000262185666 521656277 /nfs/dbraw/zinc/65/62/77/521656277.db2.gz YATNNRUZKFAPKA-LLVKDONJSA-N -1 0 310.372 -0.736 20 0 DBADRM CCNC(=O)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000037498733 521736872 /nfs/dbraw/zinc/73/68/72/521736872.db2.gz DACRGMURDYIOQF-UHFFFAOYSA-N -1 0 317.367 -0.130 20 0 DBADRM CN(C)CCn1ccc(=NC(=O)N=c2[n-]nc3ccccn32)[nH]1 ZINC000347511585 521817357 /nfs/dbraw/zinc/81/73/57/521817357.db2.gz HRPOTZBWZALSEK-UHFFFAOYSA-N -1 0 314.353 -0.025 20 0 DBADRM COCC[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)[O-] ZINC000262319629 521839627 /nfs/dbraw/zinc/83/96/27/521839627.db2.gz RQQVWPIURVCRTP-LLVKDONJSA-N -1 0 319.321 -0.054 20 0 DBADRM COCC[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000262263967 521954917 /nfs/dbraw/zinc/95/49/17/521954917.db2.gz FILYIIDHOOJRER-NSHDSACASA-N -1 0 320.301 -0.112 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC(O)C2)c1 ZINC000343736545 521989156 /nfs/dbraw/zinc/98/91/56/521989156.db2.gz VSRLDTXFDQZYQQ-UHFFFAOYSA-N -1 0 300.336 -0.541 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC000090276802 522156153 /nfs/dbraw/zinc/15/61/53/522156153.db2.gz NQFBWKUGMLKEST-GFCCVEGCSA-N -1 0 317.319 -0.413 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-] ZINC000033455874 522305337 /nfs/dbraw/zinc/30/53/37/522305337.db2.gz OISFNSDUMNWWGW-NOZJJQNGSA-N -1 0 315.370 -0.366 20 0 DBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000270488940 522308760 /nfs/dbraw/zinc/30/87/60/522308760.db2.gz LPNZBJYXCYSREH-ZETCQYMHSA-N -1 0 322.364 -0.654 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000268995081 522370465 /nfs/dbraw/zinc/37/04/65/522370465.db2.gz VHGUBWGVSXKJEO-VACNFSINSA-N -1 0 323.349 -0.287 20 0 DBADRM COC[C@@](C)(NC(=O)c1nc2nc(C)cc(C)n2n1)C(=O)[O-] ZINC000262183252 522527334 /nfs/dbraw/zinc/52/73/34/522527334.db2.gz IZJOPBGXXPRGDX-CYBMUJFWSA-N -1 0 307.310 -0.039 20 0 DBADRM CN(CC(N)=O)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000037268721 522590429 /nfs/dbraw/zinc/59/04/29/522590429.db2.gz HOGSQVQAONPSHW-UHFFFAOYSA-N -1 0 302.308 -0.744 20 0 DBADRM CN(CCC(=O)[O-])C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000262917836 522685108 /nfs/dbraw/zinc/68/51/08/522685108.db2.gz UNTRWSGPWPVCKO-UHFFFAOYSA-N -1 0 320.305 -0.821 20 0 DBADRM COC[C@](C)(NC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000345883133 522884338 /nfs/dbraw/zinc/88/43/38/522884338.db2.gz JXMFVYWJCREWPY-AWEZNQCLSA-N -1 0 320.305 -0.603 20 0 DBADRM COC(=O)CCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000035255074 523100380 /nfs/dbraw/zinc/10/03/80/523100380.db2.gz PHKLEUWRBAMCJP-UHFFFAOYSA-N -1 0 317.319 -0.009 20 0 DBADRM CO[C@@H](CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000262937259 523517361 /nfs/dbraw/zinc/51/73/61/523517361.db2.gz YVHMPZJHZUZLJZ-JTQLQIEISA-N -1 0 321.289 -0.682 20 0 DBADRM CC[C@@H]1OCC[C@H]1NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000333655492 523600971 /nfs/dbraw/zinc/60/09/71/523600971.db2.gz ZVYUTFWTUWBBNW-UTLUCORTSA-N -1 0 320.367 -0.553 20 0 DBADRM CN(Cc1nnnn1C)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000343764948 523614548 /nfs/dbraw/zinc/61/45/48/523614548.db2.gz AFFPWMGOWVDIET-UHFFFAOYSA-N -1 0 315.293 -0.174 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000345289509 523649846 /nfs/dbraw/zinc/64/98/46/523649846.db2.gz DSZYBGVYDCXPIP-JTQLQIEISA-N -1 0 323.280 -0.019 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)NCc2ccc(C(=O)[O-])cc2)C1=O ZINC000337358750 523679524 /nfs/dbraw/zinc/67/95/24/523679524.db2.gz GLAJXTKPVYBLBH-UHFFFAOYSA-N -1 0 319.273 -0.578 20 0 DBADRM COc1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1OCCO ZINC000344116373 523702147 /nfs/dbraw/zinc/70/21/47/523702147.db2.gz NVHJTIKABNIBIS-UHFFFAOYSA-N -1 0 323.305 -0.285 20 0 DBADRM COC(=O)[C@H](O)CNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000345289510 523936303 /nfs/dbraw/zinc/93/63/03/523936303.db2.gz DSZYBGVYDCXPIP-SNVBAGLBSA-N -1 0 323.280 -0.019 20 0 DBADRM COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)[O-])cc1 ZINC000360393311 523959283 /nfs/dbraw/zinc/95/92/83/523959283.db2.gz GAIMBFXKIOLJLY-UHFFFAOYSA-N -1 0 316.335 -0.688 20 0 DBADRM CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000267614059 524014004 /nfs/dbraw/zinc/01/40/04/524014004.db2.gz PLKRCCBKBZTWND-QMMMGPOBSA-N -1 0 312.351 -0.911 20 0 DBADRM CNC(=O)[C@@H]1CN(CC(=O)NCC(=O)[O-])c2ccccc2O1 ZINC000262178576 524085103 /nfs/dbraw/zinc/08/51/03/524085103.db2.gz FDJJNEOMEURFDN-NSHDSACASA-N -1 0 307.306 -0.799 20 0 DBADRM Cc1cccc2c(=O)n(CC(=O)NCCOCC(=O)[O-])cnc12 ZINC000448996031 534779730 /nfs/dbraw/zinc/77/97/30/534779730.db2.gz REVKCGDWJPVYCO-UHFFFAOYSA-N -1 0 319.317 -0.078 20 0 DBADRM C[C@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H](C)S1(=O)=O ZINC000329659083 524482223 /nfs/dbraw/zinc/48/22/23/524482223.db2.gz NRMVZFAHRYKKIL-BQBZGAKWSA-N -1 0 320.396 -0.364 20 0 DBADRM C[C@H](CO)N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000338432844 524543259 /nfs/dbraw/zinc/54/32/59/524543259.db2.gz ZYSKNIIGOKUHQA-ZCFIWIBFSA-N -1 0 314.323 -0.563 20 0 DBADRM C[C@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H](CO)O1 ZINC000347694032 524547109 /nfs/dbraw/zinc/54/71/09/524547109.db2.gz QGRVRVGYSXARPP-CBAPKCEASA-N -1 0 320.305 -0.342 20 0 DBADRM C[C@@H](CNC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000262175543 524729924 /nfs/dbraw/zinc/72/99/24/524729924.db2.gz WWUUELLZZYXJRG-ZETCQYMHSA-N -1 0 304.324 -0.020 20 0 DBADRM C[C@@H]1CN(C(=O)CCN2CCCS2(=O)=O)C[C@H]1C(=O)[O-] ZINC000262917235 524766665 /nfs/dbraw/zinc/76/66/65/524766665.db2.gz GJUSIDJGWQAPNB-NXEZZACHSA-N -1 0 304.368 -0.409 20 0 DBADRM COc1ccccc1[C@H](O)CNC(=O)c1cnc([O-])n(C)c1=O ZINC000268001859 524799684 /nfs/dbraw/zinc/79/96/84/524799684.db2.gz NGEQJNRMAANCRY-LLVKDONJSA-N -1 0 319.317 -0.042 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1N1CCOCC1 ZINC000333114129 524880992 /nfs/dbraw/zinc/88/09/92/524880992.db2.gz FZJHYARPVVBGLK-PWSUYJOCSA-N -1 0 322.365 -0.721 20 0 DBADRM C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(N)=O ZINC000339350294 524964404 /nfs/dbraw/zinc/96/44/04/524964404.db2.gz VMVVOYSAGKQTRL-LURJTMIESA-N -1 0 321.305 -0.767 20 0 DBADRM COc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1OC ZINC000275318567 525014690 /nfs/dbraw/zinc/01/46/90/525014690.db2.gz OYDGLLVJAGPZOR-UHFFFAOYSA-N -1 0 319.335 -0.229 20 0 DBADRM C[C@](O)(CNC(=O)CCn1cnc2ccccc2c1=O)C(=O)[O-] ZINC000262520683 525171583 /nfs/dbraw/zinc/17/15/83/525171583.db2.gz NURIGYYEXSOWKY-HNNXBMFYSA-N -1 0 319.317 -0.262 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(C(=O)[O-])co2)C1 ZINC000262404806 525212807 /nfs/dbraw/zinc/21/28/07/525212807.db2.gz WCUWTZMOJOQCGB-QMMMGPOBSA-N -1 0 302.308 -0.259 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCn3ccnc3C2)C1 ZINC000332639440 525364624 /nfs/dbraw/zinc/36/46/24/525364624.db2.gz RFSHLUXGLFIWDX-MNOVXSKESA-N -1 0 320.349 -0.206 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000263370758 525366708 /nfs/dbraw/zinc/36/67/08/525366708.db2.gz VGYBIEHGXHQFSY-NOOOWODRSA-N -1 0 323.353 -0.030 20 0 DBADRM C[C@@H]1C[C@H](C)CN(C(=O)CS(=O)(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000350185954 525376810 /nfs/dbraw/zinc/37/68/10/525376810.db2.gz ZJNSAJDJXCTQEO-OCAPTIKFSA-N -1 0 302.356 -0.212 20 0 DBADRM Cc1c(C(=O)NC(C)(C)c2nnn[n-]2)cccc1S(N)(=O)=O ZINC000338258989 525601692 /nfs/dbraw/zinc/60/16/92/525601692.db2.gz SEIHQUAHGCBSPD-UHFFFAOYSA-N -1 0 324.366 -0.179 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1cnc2sccc2c1=O)C(=O)[O-] ZINC000090274637 525770184 /nfs/dbraw/zinc/77/01/84/525770184.db2.gz VZFPPCPCDQMKSZ-GFCCVEGCSA-N -1 0 311.319 -0.590 20 0 DBADRM C[C@@H](O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000339249393 525801776 /nfs/dbraw/zinc/80/17/76/525801776.db2.gz TZRUBNAKIGFUMU-SSDOTTSWSA-N -1 0 308.306 -0.260 20 0 DBADRM CCCC[C@@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000273190949 534903545 /nfs/dbraw/zinc/90/35/45/534903545.db2.gz NLPNNCQLXNGLMY-WSKFYRRCSA-N -1 0 323.349 -0.143 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](c3nnn[n-]3)C2)C1 ZINC000368904882 526263464 /nfs/dbraw/zinc/26/34/64/526263464.db2.gz ILDXEEZOZSIPLO-UWVGGRQHSA-N -1 0 308.342 -0.642 20 0 DBADRM C[C@H]1CCCN(C(=O)CN2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])C1 ZINC000333628979 526264712 /nfs/dbraw/zinc/26/47/12/526264712.db2.gz VLYVFCFNDCNJGI-UWVGGRQHSA-N -1 0 323.353 -0.489 20 0 DBADRM Cc1cc(C(=O)NCC(=O)N(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266717083 526265022 /nfs/dbraw/zinc/26/50/22/526265022.db2.gz KYPTUDCXCGCVAF-UHFFFAOYSA-N -1 0 305.294 -0.438 20 0 DBADRM Cc1cc(C(=O)NCCC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000262286525 526266166 /nfs/dbraw/zinc/26/61/66/526266166.db2.gz XRKBLDXIJOZMML-UHFFFAOYSA-N -1 0 320.305 -0.855 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@H]2CCSC2)CCS1(=O)=O ZINC000333601241 526284234 /nfs/dbraw/zinc/28/42/34/526284234.db2.gz QNAUKWXFIJTPIY-BDAKNGLRSA-N -1 0 322.408 -0.367 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCC1CC1 ZINC000333576691 526292782 /nfs/dbraw/zinc/29/27/82/526292782.db2.gz NEJLRZUJUGCMPA-QMMMGPOBSA-N -1 0 316.339 -0.618 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)C[C@@H]1CCCCO1 ZINC000333650921 526292957 /nfs/dbraw/zinc/29/29/57/526292957.db2.gz YZNOVOMSCXGBQP-IUCAKERBSA-N -1 0 310.310 -0.262 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CCOC1 ZINC000262251206 526296968 /nfs/dbraw/zinc/29/69/68/526296968.db2.gz XTBKYBAJIURASL-ZUZCIYMTSA-N -1 0 322.317 -0.012 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)C1 ZINC000331779335 526325499 /nfs/dbraw/zinc/32/54/99/526325499.db2.gz KSHGRHCFMPTGRE-WDEREUQCSA-N -1 0 321.337 -0.625 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCN(c3ncccn3)CC2)O1 ZINC000262321374 526327688 /nfs/dbraw/zinc/32/76/88/526327688.db2.gz RXNREPXXZNRXGX-WDEREUQCSA-N -1 0 306.322 -0.243 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000262341552 526332661 /nfs/dbraw/zinc/33/26/61/526332661.db2.gz UIBPOQLWVCUZBE-JGVFFNPUSA-N -1 0 324.255 -0.291 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CCOC1 ZINC000262057350 526339188 /nfs/dbraw/zinc/33/91/88/526339188.db2.gz DOYYUWJVRUPWMR-NHYWBVRUSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)nn1 ZINC000263353504 526401375 /nfs/dbraw/zinc/40/13/75/526401375.db2.gz QPTATJSXFUSLNP-PSASIEDQSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C([O-])c1cn(CCNS(=O)(=O)C[C@@H]2CCCO2)nn1 ZINC000089696067 526401760 /nfs/dbraw/zinc/40/17/60/526401760.db2.gz XDSUQWBLWOJDNW-QMMMGPOBSA-N -1 0 304.328 -0.925 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)[N-]c1cnn(CC(=O)N(C)C)c1 ZINC000347387959 526559932 /nfs/dbraw/zinc/55/99/32/526559932.db2.gz GQMADXPJJZNXMU-UHFFFAOYSA-N -1 0 312.355 -0.196 20 0 DBADRM O=C(CN1CCCS1(=O)=O)NC1(C(=O)[O-])CCSCC1 ZINC000262185234 526748618 /nfs/dbraw/zinc/74/86/18/526748618.db2.gz PFNHJXUGQCHZQI-UHFFFAOYSA-N -1 0 322.408 -0.512 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000343695900 526924802 /nfs/dbraw/zinc/92/48/02/526924802.db2.gz BKVXZEQFWCETLW-UHFFFAOYSA-N -1 0 319.277 -0.655 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2cccc(CC(=O)[O-])c2)c1=O ZINC000322295213 527034920 /nfs/dbraw/zinc/03/49/20/527034920.db2.gz DEPQGLMJPPYNBS-UHFFFAOYSA-N -1 0 317.301 -0.187 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)c1=O ZINC000322463872 527035519 /nfs/dbraw/zinc/03/55/19/527035519.db2.gz JVMVPGNCKPQTRP-ZDUSSCGKSA-N -1 0 317.301 -0.511 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NCc2cccc(C(=O)[O-])c2)c1=O ZINC000336864703 527035559 /nfs/dbraw/zinc/03/55/59/527035559.db2.gz QUWPRHYREVCHBK-UHFFFAOYSA-N -1 0 317.301 -0.438 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)nc1 ZINC000262869778 527041122 /nfs/dbraw/zinc/04/11/22/527041122.db2.gz WILYJPYEPKHKLJ-GXSJLCMTSA-N -1 0 307.306 -0.210 20 0 DBADRM O=c1[n-]c(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)n[nH]1 ZINC000350241135 527129904 /nfs/dbraw/zinc/12/99/04/527129904.db2.gz ODXBTLKMXNRBIC-UHFFFAOYSA-N -1 0 322.302 -0.420 20 0 DBADRM NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1 ZINC000222496019 527316265 /nfs/dbraw/zinc/31/62/65/527316265.db2.gz SDVFVQZPOQWYEN-ZJUUUORDSA-N -1 0 314.319 -0.095 20 0 DBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CCNC(=O)C1 ZINC000266928358 527357345 /nfs/dbraw/zinc/35/73/45/527357345.db2.gz LEDVURADWDGYFC-UHFFFAOYSA-N -1 0 318.358 -0.356 20 0 DBADRM O=C([O-])C1(C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000154805371 527552435 /nfs/dbraw/zinc/55/24/35/527552435.db2.gz NSYXJZKGBRSUSG-UHFFFAOYSA-N -1 0 308.338 -0.248 20 0 DBADRM O=C(NCCCCCCO)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000182291391 527641118 /nfs/dbraw/zinc/64/11/18/527641118.db2.gz XRQGNQPEBRINCJ-UHFFFAOYSA-N -1 0 306.322 -0.106 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000319957602 527649121 /nfs/dbraw/zinc/64/91/21/527649121.db2.gz IJBZTRAVPAYITR-LLVKDONJSA-N -1 0 317.301 -0.239 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)N(C)CCCC(=O)[O-] ZINC000414650244 527746935 /nfs/dbraw/zinc/74/69/35/527746935.db2.gz WVVSIAIDVHFZPM-UHFFFAOYSA-N -1 0 324.403 -0.675 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)NCCc1nc(=O)o[n-]1 ZINC000447638038 528203008 /nfs/dbraw/zinc/20/30/08/528203008.db2.gz YUVVVDIHZUCSNE-UHFFFAOYSA-N -1 0 305.356 -0.518 20 0 DBADRM CCN(CC)S(=O)(=O)CCNC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000507420783 528208681 /nfs/dbraw/zinc/20/86/81/528208681.db2.gz BKMYCEYFPVVVSG-VHSXEESVSA-N -1 0 306.384 -0.115 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cncn2C)C1=O ZINC000455775120 528375671 /nfs/dbraw/zinc/37/56/71/528375671.db2.gz BIRZEWFHEKACDT-ONGXEEELSA-N -1 0 308.338 -0.140 20 0 DBADRM CC(C)C[C@H]1C[C@H](C(=O)NCCc2nc(=O)o[n-]2)CC(=O)N1 ZINC000447638039 528602524 /nfs/dbraw/zinc/60/25/24/528602524.db2.gz VDOQTFFLWUOZLL-UWVGGRQHSA-N -1 0 310.354 -0.038 20 0 DBADRM CCOC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CCOC)C1 ZINC000491354205 528979489 /nfs/dbraw/zinc/97/94/89/528979489.db2.gz DOOWHRANNLNWKT-JTQLQIEISA-N -1 0 322.383 -0.053 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000496198501 529061839 /nfs/dbraw/zinc/06/18/39/529061839.db2.gz ROAZKLZTBKWCOK-UHFFFAOYSA-N -1 0 318.355 -0.330 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)c1 ZINC000274994624 534920348 /nfs/dbraw/zinc/92/03/48/534920348.db2.gz ZTXDYRPKVSELCJ-WPRPVWTQSA-N -1 0 305.356 -0.349 20 0 DBADRM CCN1CCN(C(=O)c2cnc([O-])n(C)c2=O)C(C)(C)C1=O ZINC000275289095 535647447 /nfs/dbraw/zinc/64/74/47/535647447.db2.gz UOCUVOUYGNHSGH-UHFFFAOYSA-N -1 0 308.338 -0.431 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1)C(N)=O ZINC000357696362 535807366 /nfs/dbraw/zinc/80/73/66/535807366.db2.gz GXLZOBUSJGSPLP-SNVBAGLBSA-N -1 0 316.335 -0.308 20 0 DBADRM CCn1nccc1/C=C/C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000277325168 535844477 /nfs/dbraw/zinc/84/44/77/535844477.db2.gz CCQFCESPRBCLAF-SNAWJCMRSA-N -1 0 314.367 -0.502 20 0 DBADRM CCc1cccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000275090024 535911284 /nfs/dbraw/zinc/91/12/84/535911284.db2.gz OTLMIOZXUITRTF-SNVBAGLBSA-N -1 0 300.336 -0.144 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2c(C)cnn2C)C1=O ZINC000289199161 536073463 /nfs/dbraw/zinc/07/34/63/536073463.db2.gz OSHPEDVQXGSDPN-LLVKDONJSA-N -1 0 315.355 -0.358 20 0 DBADRM CNC(=O)[C@H]1CN(CC(=O)[N-]OCc2ccccc2)CCO1 ZINC000272953823 536399568 /nfs/dbraw/zinc/39/95/68/536399568.db2.gz YZSCENGOXFOADH-CYBMUJFWSA-N -1 0 307.350 -0.319 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cs1 ZINC000275178977 536582608 /nfs/dbraw/zinc/58/26/08/536582608.db2.gz DDQBJVBBOKBCKZ-LURJTMIESA-N -1 0 309.321 -0.742 20 0 DBADRM COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)[N-]OCC(N)=O)cc1 ZINC000271353176 536592304 /nfs/dbraw/zinc/59/23/04/536592304.db2.gz FHDXBPZKPYKCKN-VHODGJRUSA-N -1 0 321.333 -0.254 20 0 DBADRM COc1cc(CNC(=O)C(=O)[O-])ccc1OCC(=O)N(C)C ZINC000274213541 536778151 /nfs/dbraw/zinc/77/81/51/536778151.db2.gz XFCVQYSXWYHIII-UHFFFAOYSA-N -1 0 310.306 -0.137 20 0 DBADRM COC(=O)c1csc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000274926151 536853396 /nfs/dbraw/zinc/85/33/96/536853396.db2.gz NYOIXOWSEPOFET-ZCFIWIBFSA-N -1 0 309.321 -0.742 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738140808 598859396 /nfs/dbraw/zinc/85/93/96/598859396.db2.gz WWIZPKLJQOUKFF-SNVBAGLBSA-N -1 0 323.334 -0.285 20 0 DBADRM c1nc(-c2nnn[n-]2)nn1C[C@H]1CN=C(N2CCOCC2)S1 ZINC000738451125 598892565 /nfs/dbraw/zinc/89/25/65/598892565.db2.gz COEXJIYXDYXEOB-MRVPVSSYSA-N -1 0 321.370 -0.738 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C[C@H](C)NC(=O)[O-] ZINC000828579815 603584436 /nfs/dbraw/zinc/58/44/36/603584436.db2.gz QQZIFRREALBTPQ-IUCAKERBSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@@H]1C[C@@H](C)N(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000736226934 598973000 /nfs/dbraw/zinc/97/30/00/598973000.db2.gz JSCUUSFNPDUHPY-HTQZYQBOSA-N -1 0 305.342 -0.501 20 0 DBADRM Cc1ccc(N2C[C@@H](C(=O)N[C@H](CO)C(=O)[O-])CC2=O)cc1 ZINC000170581054 599743463 /nfs/dbraw/zinc/74/34/63/599743463.db2.gz BIWADVFDADPBOD-CMPLNLGQSA-N -1 0 306.318 -0.090 20 0 DBADRM C[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)[C@H]1CCOC1 ZINC000820450057 599043349 /nfs/dbraw/zinc/04/33/49/599043349.db2.gz GMZUOAZPNKILKL-SFYZADRCSA-N -1 0 321.341 -0.899 20 0 DBADRM COc1ccnc(N2CCN(C(=O)CCNC(=O)[O-])CC2)n1 ZINC000738143270 599749407 /nfs/dbraw/zinc/74/94/07/599749407.db2.gz OTBUSYVGIBVRAI-UHFFFAOYSA-N -1 0 309.326 -0.209 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(Sc2ncc[nH]2)n(C)c1=O ZINC000822604566 599065863 /nfs/dbraw/zinc/06/58/63/599065863.db2.gz HKUVEAOGWBZPIB-UHFFFAOYSA-N -1 0 306.311 -0.862 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCC(C)(C)C(=O)[O-] ZINC000831024965 601684405 /nfs/dbraw/zinc/68/44/05/601684405.db2.gz KECZASBYENZJBV-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=S)NCCS(C)(=O)=O ZINC000739162012 602712985 /nfs/dbraw/zinc/71/29/85/602712985.db2.gz RWFQBCHUEUAXSF-MRVPVSSYSA-N -1 0 309.413 -0.410 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000829674260 603147587 /nfs/dbraw/zinc/14/75/87/603147587.db2.gz PBWGDCTZEOPUPD-MRVPVSSYSA-N -1 0 314.385 -0.907 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000737122818 603259934 /nfs/dbraw/zinc/25/99/34/603259934.db2.gz RIMLBXBWCTZJIB-VIFPVBQESA-N -1 0 322.387 -0.633 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N(C)CCCNC(=O)[O-] ZINC000738859667 603283391 /nfs/dbraw/zinc/28/33/91/603283391.db2.gz JPHLANINILVZKB-UHFFFAOYSA-N -1 0 324.403 -0.387 20 0 DBADRM C[C@@H](CC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)NC(=O)[O-] ZINC000824582121 603325383 /nfs/dbraw/zinc/32/53/83/603325383.db2.gz NWNJMKOMTYPIPL-IUCAKERBSA-N -1 0 307.372 -0.427 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCOCC1 ZINC000736367715 599842358 /nfs/dbraw/zinc/84/23/58/599842358.db2.gz KYQNTTRDCURXLS-LLVKDONJSA-N -1 0 301.343 -0.356 20 0 DBADRM CN(CC(=O)[O-])C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000739626198 596899982 /nfs/dbraw/zinc/89/99/82/596899982.db2.gz AKFUCFPMBGRXFX-NSHDSACASA-N -1 0 304.306 -0.350 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000036970713 596932696 /nfs/dbraw/zinc/93/26/96/596932696.db2.gz TWAOAVUYTQZJML-UHFFFAOYSA-N -1 0 315.351 -0.391 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCc2nnc3n2CCC3)CCO1 ZINC000819310592 596959947 /nfs/dbraw/zinc/95/99/47/596959947.db2.gz JIYFDVUKXVRQHO-SECBINFHSA-N -1 0 309.326 -0.738 20 0 DBADRM CN(CC(N)=O)C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000739635953 596960647 /nfs/dbraw/zinc/96/06/47/596960647.db2.gz VWELHDCXFQRGPL-NSHDSACASA-N -1 0 304.306 -0.350 20 0 DBADRM CN(CCC(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000400139490 596992194 /nfs/dbraw/zinc/99/21/94/596992194.db2.gz VSNJZLSEMJSPAW-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N(C)CCC(=O)[O-] ZINC000818113899 597004879 /nfs/dbraw/zinc/00/48/79/597004879.db2.gz RZORCKDACTYION-VHSXEESVSA-N -1 0 321.399 -0.228 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)N(C)CCC(=O)[O-])CC2 ZINC000818552501 597005853 /nfs/dbraw/zinc/00/58/53/597005853.db2.gz QCPWTXCRFCLQKR-VIFPVBQESA-N -1 0 311.342 -0.145 20 0 DBADRM CC(C)[C@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000817956516 597038220 /nfs/dbraw/zinc/03/82/20/597038220.db2.gz HCLNBVSGLHFOQP-JTQLQIEISA-N -1 0 307.306 -0.051 20 0 DBADRM Cc1nccn1-c1ccc(NC(=O)C(=O)NCC(=O)[O-])cn1 ZINC000740238260 597044045 /nfs/dbraw/zinc/04/40/45/597044045.db2.gz ZHWYCTYUJYJHCO-UHFFFAOYSA-N -1 0 303.278 -0.285 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccccc1Cn1cncn1 ZINC000740482770 597044278 /nfs/dbraw/zinc/04/42/78/597044278.db2.gz DVWJJZUWVMRNBD-UHFFFAOYSA-N -1 0 303.278 -0.534 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000739993202 597044515 /nfs/dbraw/zinc/04/45/15/597044515.db2.gz FBBGREZYNNGEKR-UHFFFAOYSA-N -1 0 300.292 -0.771 20 0 DBADRM C[C@H]1Oc2ccc(NC(=O)C(=O)NCC(=O)[O-])cc2NC1=O ZINC000739215959 597046127 /nfs/dbraw/zinc/04/61/27/597046127.db2.gz SVEJRWLPCOEJNN-ZCFIWIBFSA-N -1 0 307.262 -0.455 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000740483030 597046451 /nfs/dbraw/zinc/04/64/51/597046451.db2.gz MXQHTSJXKGKCTR-UHFFFAOYSA-N -1 0 308.294 -0.943 20 0 DBADRM CCNC(=O)COc1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000739464395 597047021 /nfs/dbraw/zinc/04/70/21/597047021.db2.gz YNKVPBDTKOIRTA-UHFFFAOYSA-N -1 0 323.305 -0.659 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000740483070 597047878 /nfs/dbraw/zinc/04/78/78/597047878.db2.gz OYADECLMJNGGEC-UHFFFAOYSA-N -1 0 321.289 -0.222 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827312815 603500773 /nfs/dbraw/zinc/50/07/73/603500773.db2.gz JWMXSJOYTYNRHR-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000063142709 597053458 /nfs/dbraw/zinc/05/34/58/597053458.db2.gz YRCPBLJZLHLKQP-VIFPVBQESA-N -1 0 313.397 -0.453 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000817863333 597067055 /nfs/dbraw/zinc/06/70/55/597067055.db2.gz MBOSIWAZEXVEML-JTQLQIEISA-N -1 0 306.384 -0.668 20 0 DBADRM COCC(=O)NC1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000128163284 597087984 /nfs/dbraw/zinc/08/79/84/597087984.db2.gz XFUCJVWVFFMLNC-UHFFFAOYSA-N -1 0 304.368 -0.442 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)CSCC(=O)[O-])n1 ZINC000739983325 597095879 /nfs/dbraw/zinc/09/58/79/597095879.db2.gz IZWDGOWIOFQRPG-UHFFFAOYSA-N -1 0 321.380 -0.316 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)CSCC(=O)[O-])CC1 ZINC000739595880 597101089 /nfs/dbraw/zinc/10/10/89/597101089.db2.gz GCOWUXLXFOZDFT-UHFFFAOYSA-N -1 0 317.411 -0.527 20 0 DBADRM O=C([O-])CSCC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000740485614 597101583 /nfs/dbraw/zinc/10/15/83/597101583.db2.gz BBVFQEFNFLJTGN-WDEREUQCSA-N -1 0 302.396 -0.138 20 0 DBADRM CS(=O)(=O)Cc1noc(NC(=O)CSCC(=O)[O-])n1 ZINC000739984360 597103136 /nfs/dbraw/zinc/10/31/36/597103136.db2.gz GCLZKNWWEYRIRR-UHFFFAOYSA-N -1 0 309.325 -0.630 20 0 DBADRM CN(C)C(=O)CCN1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000818369059 597115142 /nfs/dbraw/zinc/11/51/42/597115142.db2.gz SVKRONAPOOITKU-UHFFFAOYSA-N -1 0 317.411 -0.573 20 0 DBADRM O=C([O-])CCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000740480900 597116585 /nfs/dbraw/zinc/11/65/85/597116585.db2.gz UOGXMDVIEJOHAK-UHFFFAOYSA-N -1 0 312.303 -0.578 20 0 DBADRM Cn1[nH]cnc1=NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000819084254 597135019 /nfs/dbraw/zinc/13/50/19/597135019.db2.gz HRPWTBKCGWKMQF-NSHDSACASA-N -1 0 314.305 -0.105 20 0 DBADRM CC(C)[C@@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)C(=O)[O-] ZINC000817943710 597208145 /nfs/dbraw/zinc/20/81/45/597208145.db2.gz UAXADIYSWGSFOB-SECBINFHSA-N -1 0 312.330 -0.403 20 0 DBADRM NS(=O)(=O)c1cccc(CNC(=O)NCCC(=O)[O-])c1 ZINC000819130600 597222558 /nfs/dbraw/zinc/22/25/58/597222558.db2.gz KHXVZLZSTKKPRR-UHFFFAOYSA-N -1 0 301.324 -0.392 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)NCCCCCC(=O)[O-])C1 ZINC000818645281 597236682 /nfs/dbraw/zinc/23/66/82/597236682.db2.gz HUVRETBKXUHEPM-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738142097 597252718 /nfs/dbraw/zinc/25/27/18/597252718.db2.gz QHZUBKBAHJDTHQ-NRFANRHFSA-N -1 0 312.347 -0.253 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000738013760 597256518 /nfs/dbraw/zinc/25/65/18/597256518.db2.gz GEBXYPOGBBXXPN-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM Cn1ccnc1-c1csc(NC(=O)C(=O)NCC(=O)[O-])n1 ZINC000819078407 597260924 /nfs/dbraw/zinc/26/09/24/597260924.db2.gz RIYAJBGJEADZHA-UHFFFAOYSA-N -1 0 309.307 -0.317 20 0 DBADRM C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000738952888 597308614 /nfs/dbraw/zinc/30/86/14/597308614.db2.gz BSODFZXUUVGVNU-WRWORJQWSA-N -1 0 322.296 -0.165 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)C(=O)[O-] ZINC000818022536 597325285 /nfs/dbraw/zinc/32/52/85/597325285.db2.gz JSYNHEQCMHVUPH-ZETCQYMHSA-N -1 0 304.266 -0.810 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000818213447 597333099 /nfs/dbraw/zinc/33/30/99/597333099.db2.gz HPRYBFQHJUBCQS-SECBINFHSA-N -1 0 301.343 -0.356 20 0 DBADRM COC[C@H](O)CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000820710274 597339936 /nfs/dbraw/zinc/33/99/36/597339936.db2.gz KHYXDYZEBVBILE-YPMHNXCESA-N -1 0 321.333 -0.171 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cnn(Cc2ccncc2)c1)C(=O)[O-] ZINC000820115818 597344389 /nfs/dbraw/zinc/34/43/89/597344389.db2.gz ZDWVHVIELHZWBK-SECBINFHSA-N -1 0 317.305 -0.146 20 0 DBADRM O=C([O-])Cn1cc(COC(=O)c2cnn3cccnc23)nn1 ZINC000821539277 597358461 /nfs/dbraw/zinc/35/84/61/597358461.db2.gz GFOJDLJSSQFLBK-UHFFFAOYSA-N -1 0 302.250 -0.238 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1)C(=O)[O-] ZINC000737676785 597358460 /nfs/dbraw/zinc/35/84/60/597358460.db2.gz PTDQEXPMVBXEOT-WPRPVWTQSA-N -1 0 322.321 -0.234 20 0 DBADRM O=C([O-])Cn1cc(COC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)nn1 ZINC000821539454 597359407 /nfs/dbraw/zinc/35/94/07/597359407.db2.gz XFFQEUMSVPKAHJ-PBINXNQUSA-N -1 0 323.305 -0.352 20 0 DBADRM CC(C)CN1C[C@H](C(=O)OCc2cn(CC(=O)[O-])nn2)CC1=O ZINC000819977107 597360002 /nfs/dbraw/zinc/36/00/02/597360002.db2.gz XDPMYVPDVVLBDC-SNVBAGLBSA-N -1 0 324.337 -0.090 20 0 DBADRM O=C([O-])COC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000739819800 599886738 /nfs/dbraw/zinc/88/67/38/599886738.db2.gz ZCJJDIVURQHUKI-UHFFFAOYSA-N -1 0 315.303 -0.377 20 0 DBADRM NC(=O)c1ccc(C(=O)OCc2cn(CC(=O)[O-])nn2)s1 ZINC000821353479 597361739 /nfs/dbraw/zinc/36/17/39/597361739.db2.gz UWPYRIZTJPNNGI-UHFFFAOYSA-N -1 0 310.291 -0.120 20 0 DBADRM COCCn1nc(C)c(NC(=O)C(=O)NCCC(=O)[O-])c1C ZINC000820738629 597389170 /nfs/dbraw/zinc/38/91/70/597389170.db2.gz ONHPGIAYNOGKFZ-UHFFFAOYSA-N -1 0 312.326 -0.324 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)c1 ZINC000821536845 597392788 /nfs/dbraw/zinc/39/27/88/597392788.db2.gz AWLIBYWDWOOAEQ-OAHLLOKOSA-N -1 0 322.317 -0.480 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCC2CCS(=O)(=O)CC2)CCO1 ZINC000821510428 597401665 /nfs/dbraw/zinc/40/16/65/597401665.db2.gz CZAXVPDAXGGQIR-SNVBAGLBSA-N -1 0 320.367 -0.694 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cncc(N3CCOCC3)c2)CCO1 ZINC000821513324 597412858 /nfs/dbraw/zinc/41/28/58/597412858.db2.gz UOWLSTYSGQNKFI-CYBMUJFWSA-N -1 0 321.333 -0.156 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C ZINC000819889469 597427810 /nfs/dbraw/zinc/42/78/10/597427810.db2.gz PXBVMGHHFOYEGX-YUMQZZPRSA-N -1 0 317.342 -0.313 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C ZINC000819889467 597427838 /nfs/dbraw/zinc/42/78/38/597427838.db2.gz PXBVMGHHFOYEGX-JGVFFNPUSA-N -1 0 317.342 -0.313 20 0 DBADRM C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000196235683 597438020 /nfs/dbraw/zinc/43/80/20/597438020.db2.gz CEOBKYCMQIBZCX-RNFRBKRXSA-N -1 0 303.315 -0.656 20 0 DBADRM Cc1onc2c1c(C)nn(CN1CCO[C@H](C(=O)[O-])C1)c2=O ZINC000738379854 597445428 /nfs/dbraw/zinc/44/54/28/597445428.db2.gz VZUPBVRRCAQTPH-VIFPVBQESA-N -1 0 308.294 -0.256 20 0 DBADRM COC(=O)c1nn(CN(C)[C@@H](C)C(=O)[O-])c(=O)c2noc(C)c21 ZINC000818527945 597483446 /nfs/dbraw/zinc/48/34/46/597483446.db2.gz AAHYBLBFCPBCNF-LURJTMIESA-N -1 0 324.293 -0.158 20 0 DBADRM O=C([O-])COC(=O)Cc1nn(CCO)c(=O)c2ccccc12 ZINC000819532500 597485726 /nfs/dbraw/zinc/48/57/26/597485726.db2.gz NEOHWCPMOLDJSP-UHFFFAOYSA-N -1 0 306.274 -0.441 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N1CC[C@H](C(=O)[O-])C1)n1cccn1 ZINC000261761530 597497141 /nfs/dbraw/zinc/49/71/41/597497141.db2.gz IBCJOWKVDPRPKU-QWRGUYRKSA-N -1 0 308.338 -0.164 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)cs1 ZINC000261909458 597497926 /nfs/dbraw/zinc/49/79/26/597497926.db2.gz WFHOQBCWIOINJV-LURJTMIESA-N -1 0 304.349 -0.058 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000261912774 597504181 /nfs/dbraw/zinc/50/41/81/597504181.db2.gz WQWVPYBRTLGORE-GHMZBOCLSA-N -1 0 318.395 -0.019 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000818018350 597517187 /nfs/dbraw/zinc/51/71/87/597517187.db2.gz OKFOINSMBUNPOQ-SSDOTTSWSA-N -1 0 314.319 -0.382 20 0 DBADRM COCC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000818530704 597517724 /nfs/dbraw/zinc/51/77/24/597517724.db2.gz RLYSWYUCUPPXIN-MRVPVSSYSA-N -1 0 323.305 -0.201 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)C(=O)[O-] ZINC000818019048 597518815 /nfs/dbraw/zinc/51/88/15/597518815.db2.gz VQEQASRBNLUSJD-LURJTMIESA-N -1 0 322.256 -0.671 20 0 DBADRM NC(=O)c1ccc(F)c(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000819121030 597522120 /nfs/dbraw/zinc/52/21/20/597522120.db2.gz SASBBIMJFAIHRQ-MRVPVSSYSA-N -1 0 323.280 -0.204 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000818490819 597522177 /nfs/dbraw/zinc/52/21/77/597522177.db2.gz JLTNBPPKANWLFU-SNVBAGLBSA-N -1 0 319.317 -0.082 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000261696908 597533521 /nfs/dbraw/zinc/53/35/21/597533521.db2.gz NNXDURBZZKTPIZ-ZETCQYMHSA-N -1 0 317.323 -0.318 20 0 DBADRM CCc1nnc2n1C[C@@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)CC2 ZINC000820504191 597665829 /nfs/dbraw/zinc/66/58/29/597665829.db2.gz YPHBJQMOBRUIGQ-UWVGGRQHSA-N -1 0 323.353 -0.350 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CCO1 ZINC000821510346 597667667 /nfs/dbraw/zinc/66/76/67/597667667.db2.gz BBJJXFJSISXPSK-KOLCDFICSA-N -1 0 311.338 -0.508 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CCO1 ZINC000821510349 597667775 /nfs/dbraw/zinc/66/77/75/597667775.db2.gz BBJJXFJSISXPSK-MWLCHTKSSA-N -1 0 311.338 -0.508 20 0 DBADRM CC(=O)NCCN(C(=O)C[C@@](C)(O)C1CC1)[C@H](C)C(=O)[O-] ZINC000819744431 597684767 /nfs/dbraw/zinc/68/47/67/597684767.db2.gz LZLACQJRAOQUAL-YMTOWFKASA-N -1 0 300.355 -0.025 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCc2n[nH]cc2C1)[C@@H](C)C(=O)[O-] ZINC000819744616 597688229 /nfs/dbraw/zinc/68/82/29/597688229.db2.gz WCDGAIFPPDMFOD-ONGXEEELSA-N -1 0 322.365 -0.048 20 0 DBADRM CC(=O)NCCN(C(=O)c1c(C)nc(N)nc1C)[C@H](C)C(=O)[O-] ZINC000819753080 597697579 /nfs/dbraw/zinc/69/75/79/597697579.db2.gz MLQWCZHMPGMROW-SECBINFHSA-N -1 0 323.353 -0.273 20 0 DBADRM CC(=O)NCCN(C(=O)c1cnc(C)nc1N)[C@@H](C)C(=O)[O-] ZINC000819758363 597700898 /nfs/dbraw/zinc/70/08/98/597700898.db2.gz ZVNYEFWLPBXMQX-ZETCQYMHSA-N -1 0 309.326 -0.581 20 0 DBADRM CC(=O)NCCN(C(=O)c1cnc(C)nc1N)[C@H](C)C(=O)[O-] ZINC000819758362 597700999 /nfs/dbraw/zinc/70/09/99/597700999.db2.gz ZVNYEFWLPBXMQX-SSDOTTSWSA-N -1 0 309.326 -0.581 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)cn(C)c1=O ZINC000821008766 597714806 /nfs/dbraw/zinc/71/48/06/597714806.db2.gz LYOBWNZGDJWHEG-SNVBAGLBSA-N -1 0 309.322 -0.142 20 0 DBADRM CNC(=O)c1ccc(C[S@@](=O)CC(=O)NCC(=O)[O-])cc1 ZINC000820637408 597736909 /nfs/dbraw/zinc/73/69/09/597736909.db2.gz KJXHEZASMQHVMG-OAQYLSRUSA-N -1 0 312.347 -0.504 20 0 DBADRM O=C([O-])CNC(=O)CNc1ccccc1C(=O)N1CCOCC1 ZINC000821531354 597744948 /nfs/dbraw/zinc/74/49/48/597744948.db2.gz QRYVRGUQHIJVSY-UHFFFAOYSA-N -1 0 321.333 -0.228 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000821529871 597751240 /nfs/dbraw/zinc/75/12/40/597751240.db2.gz PSKAUUFBDCQQPO-UHFFFAOYSA-N -1 0 319.273 -0.822 20 0 DBADRM CS(=O)(=O)c1nc2ccccc2n1CC(=O)NCC(=O)[O-] ZINC000820899876 597752274 /nfs/dbraw/zinc/75/22/74/597752274.db2.gz HWJUNOVQXWTIMR-UHFFFAOYSA-N -1 0 311.319 -0.359 20 0 DBADRM C[C@H]1CCC[C@H](C)C12NC(=O)N(CC(=O)NCC(=O)[O-])C2=O ZINC000820235583 597753448 /nfs/dbraw/zinc/75/34/48/597753448.db2.gz PDVGXQWWOQGHEI-IUCAKERBSA-N -1 0 311.338 -0.066 20 0 DBADRM C[C@]1(c2ccccn2)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000820214953 597753487 /nfs/dbraw/zinc/75/34/87/597753487.db2.gz LAPCFWBKZOBDDV-CYBMUJFWSA-N -1 0 306.278 -0.951 20 0 DBADRM Cn1cncc1[C@H]1CC(=O)N(CN2CCO[C@H](C(=O)[O-])C2)C1 ZINC000821310840 597759285 /nfs/dbraw/zinc/75/92/85/597759285.db2.gz RZFQXMYOICMZOJ-JQWIXIFHSA-N -1 0 308.338 -0.521 20 0 DBADRM CCOC(=O)/C=C1\SCC(=O)N1CC(=O)NCC(=O)[O-] ZINC000820364783 597760011 /nfs/dbraw/zinc/76/00/11/597760011.db2.gz WLEMQAUVSFAYPK-OQFOIZHKSA-N -1 0 302.308 -0.833 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000821530299 597765104 /nfs/dbraw/zinc/76/51/04/597765104.db2.gz FFZVYCQNMKZXJW-UHFFFAOYSA-N -1 0 323.324 -0.216 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC(C(=O)N2CCCCC2)CC1 ZINC000821530077 597768315 /nfs/dbraw/zinc/76/83/15/597768315.db2.gz XIDKNKFCYAGDHE-UHFFFAOYSA-N -1 0 311.382 -0.088 20 0 DBADRM CC(C)c1nc([C@@H]2CN(CC(=O)NCC(=O)[O-])CCO2)no1 ZINC000820061621 597772577 /nfs/dbraw/zinc/77/25/77/597772577.db2.gz LQZNDKWFQRBYBS-VIFPVBQESA-N -1 0 312.326 -0.233 20 0 DBADRM C[C@@H]1CN(C[C@@H]2CCCN2CC(=O)NCC(=O)[O-])C[C@H](C)O1 ZINC000820251780 597772660 /nfs/dbraw/zinc/77/26/60/597772660.db2.gz JHFUKKDDWKNGGH-XQQFMLRXSA-N -1 0 313.398 -0.239 20 0 DBADRM CN(CCCCC(=O)[O-])CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000719342767 597792380 /nfs/dbraw/zinc/79/23/80/597792380.db2.gz FNDSYROEZXWGIO-JTQLQIEISA-N -1 0 306.384 -0.524 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000821529309 597804732 /nfs/dbraw/zinc/80/47/32/597804732.db2.gz GNLZJKYMXGOHRZ-LLVKDONJSA-N -1 0 300.355 -0.295 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@@H]2CCCCS2(=O)=O)CCO1 ZINC000821511564 597815895 /nfs/dbraw/zinc/81/58/95/597815895.db2.gz YYKACRFTGBGKTI-VHSXEESVSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@H]2CCCCS2(=O)=O)CCO1 ZINC000821511565 597816286 /nfs/dbraw/zinc/81/62/86/597816286.db2.gz YYKACRFTGBGKTI-ZJUUUORDSA-N -1 0 320.367 -0.551 20 0 DBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NCCC(=O)[O-] ZINC000820374762 597819100 /nfs/dbraw/zinc/81/91/00/597819100.db2.gz XLYCVGKZAAHINY-UHFFFAOYSA-N -1 0 312.282 -0.874 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O ZINC000821530648 597825181 /nfs/dbraw/zinc/82/51/81/597825181.db2.gz BGTMBPJMPDQHRZ-UHFFFAOYSA-N -1 0 320.257 -0.973 20 0 DBADRM C=C1c2ccccc2C(=O)N1CC(=O)OCC(=O)NCC(=O)[O-] ZINC000819713322 597831229 /nfs/dbraw/zinc/83/12/29/597831229.db2.gz JLOXZVUJGOPOBA-UHFFFAOYSA-N -1 0 318.285 -0.143 20 0 DBADRM C[C@H](NC(=O)c1cccs1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000820136595 597831845 /nfs/dbraw/zinc/83/18/45/597831845.db2.gz UFRNSBCOGMHXNH-ZETCQYMHSA-N -1 0 314.319 -0.390 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000821532560 597832220 /nfs/dbraw/zinc/83/22/20/597832220.db2.gz ULVNKFLWHRHMFV-UHFFFAOYSA-N -1 0 321.289 -0.426 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000819901457 597832925 /nfs/dbraw/zinc/83/29/25/597832925.db2.gz FIOLIEBQXBHKSI-VIFPVBQESA-N -1 0 314.338 -0.233 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1sccc1-n1cnnn1 ZINC000821533029 597834691 /nfs/dbraw/zinc/83/46/91/597834691.db2.gz WJVDLGBWQXKJQI-UHFFFAOYSA-N -1 0 311.279 -0.919 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)CS(=O)(=O)C1CCCC1 ZINC000821532460 597835470 /nfs/dbraw/zinc/83/54/70/597835470.db2.gz RZYBNGCBPRAYMY-UHFFFAOYSA-N -1 0 307.324 -0.912 20 0 DBADRM Cc1cc2nc(C)cc(C(=O)OCC(=O)NCC(=O)[O-])n2n1 ZINC000820963578 597835905 /nfs/dbraw/zinc/83/59/05/597835905.db2.gz DFKWQDINQCHEFK-UHFFFAOYSA-N -1 0 306.278 -0.296 20 0 DBADRM CCCC(=O)N1CCC[C@@H](C(=O)OCC(=O)NCC(=O)[O-])C1 ZINC000820296985 597837181 /nfs/dbraw/zinc/83/71/81/597837181.db2.gz IGYOAMHYDRYHBM-SNVBAGLBSA-N -1 0 314.338 -0.231 20 0 DBADRM CCCN(C(=O)[C@@H](C)N(C)CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000820317092 598042368 /nfs/dbraw/zinc/04/23/68/598042368.db2.gz BLYGELZHGXPAII-MNOVXSKESA-N -1 0 320.411 -0.183 20 0 DBADRM CC(C)N(CC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000050351142 598058802 /nfs/dbraw/zinc/05/88/02/598058802.db2.gz DVVZAIQSDCPOHA-UHFFFAOYSA-N -1 0 313.397 -0.312 20 0 DBADRM CCN(C(=O)CN(CC(=O)[O-])C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000037995227 598079397 /nfs/dbraw/zinc/07/93/97/598079397.db2.gz KWSZWCGPBIHWOR-NSHDSACASA-N -1 0 320.411 -0.183 20 0 DBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000821510457 598086989 /nfs/dbraw/zinc/08/69/89/598086989.db2.gz FRQURLAIEFHNTE-JTQLQIEISA-N -1 0 320.367 -0.523 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)N1CCN(C(=O)CO)CC1 ZINC000821539355 598093213 /nfs/dbraw/zinc/09/32/13/598093213.db2.gz HVKVZUFBIYBFDI-UHFFFAOYSA-N -1 0 321.333 -0.018 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)n1 ZINC000821310803 598114333 /nfs/dbraw/zinc/11/43/33/598114333.db2.gz QMHFAEBIWBRZHM-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cc1nn(C)c(N2CCOCC2)c1CN1CCO[C@H](C(=O)[O-])C1 ZINC000821209354 598126296 /nfs/dbraw/zinc/12/62/96/598126296.db2.gz UBGDMIPOVFWCMZ-ZDUSSCGKSA-N -1 0 324.381 -0.149 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCCN2CCNC(=O)C2)cc1 ZINC000821557537 598160739 /nfs/dbraw/zinc/16/07/39/598160739.db2.gz WEPTVTOYYXMZRT-UHFFFAOYSA-N -1 0 305.334 -0.064 20 0 DBADRM CCCc1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)n(C)n1 ZINC000820326067 598162032 /nfs/dbraw/zinc/16/20/32/598162032.db2.gz PRSJKSACJBGFRZ-SNVBAGLBSA-N -1 0 324.337 -0.377 20 0 DBADRM O=C([O-])CCCCNS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000821520489 598165103 /nfs/dbraw/zinc/16/51/03/598165103.db2.gz DFYYHOCNDVSGOB-UHFFFAOYSA-N -1 0 322.383 -0.085 20 0 DBADRM O=C([O-])CCCCNC(=O)NCCC(=O)N1CCOCC1 ZINC000124845154 598166462 /nfs/dbraw/zinc/16/64/62/598166462.db2.gz NTDCMEICCONDAX-UHFFFAOYSA-N -1 0 301.343 -0.211 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)NCCCCC(=O)[O-])CC1 ZINC000820641205 598167577 /nfs/dbraw/zinc/16/75/77/598167577.db2.gz NBVGNSQMVQRZSF-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM C[S@](=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1F ZINC000820899733 598169659 /nfs/dbraw/zinc/16/96/59/598169659.db2.gz DFSDYJLPRCNQRO-FQEVSTJZSA-N -1 0 302.283 -0.298 20 0 DBADRM COCCCN(C(=O)NCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000820715107 598169700 /nfs/dbraw/zinc/16/97/00/598169700.db2.gz ODKPRQHYLPNXTD-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NCCc2nnc[nH]2)c1 ZINC000821537886 598170952 /nfs/dbraw/zinc/17/09/52/598170952.db2.gz LLIDCMCQTRBRSW-UHFFFAOYSA-N -1 0 317.305 -0.271 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NCC(=O)NC1CC1 ZINC000821383456 598173070 /nfs/dbraw/zinc/17/30/70/598173070.db2.gz DBZOBLITVAEEJS-UHFFFAOYSA-N -1 0 305.290 -0.282 20 0 DBADRM CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820626951 598174534 /nfs/dbraw/zinc/17/45/34/598174534.db2.gz XIIQFLRULXBRAE-JTQLQIEISA-N -1 0 321.333 -0.230 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCO[C@H](CO)C1 ZINC000821470311 598175331 /nfs/dbraw/zinc/17/53/31/598175331.db2.gz KJRCSUFMAFRKNF-VIFPVBQESA-N -1 0 308.290 -0.457 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N(C)CCC(=O)[O-])O1 ZINC000820524304 598180251 /nfs/dbraw/zinc/18/02/51/598180251.db2.gz RBEWRUAPEZBHDO-UWVGGRQHSA-N -1 0 301.343 -0.262 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)C2=NN(CCO)C(=O)CC2)c1 ZINC000821441947 598185531 /nfs/dbraw/zinc/18/55/31/598185531.db2.gz IZDDCXWRBKONSG-UHFFFAOYSA-N -1 0 319.317 -0.028 20 0 DBADRM O=C([O-])CCCCCNC(=O)NCC(=O)N1CCOCC1 ZINC000313582262 598194501 /nfs/dbraw/zinc/19/45/01/598194501.db2.gz LSOGGRONWIFNGL-UHFFFAOYSA-N -1 0 301.343 -0.211 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000820154094 598220537 /nfs/dbraw/zinc/22/05/37/598220537.db2.gz FZPHLMORXBWGHL-CWSCBRNRSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000820154096 598220583 /nfs/dbraw/zinc/22/05/83/598220583.db2.gz FZPHLMORXBWGHL-OPQQBVKSSA-N -1 0 312.366 -0.025 20 0 DBADRM NC(=O)c1cn(C2CN(C(=O)c3ccc(C(=O)[O-])cc3)C2)nn1 ZINC000821357011 598220723 /nfs/dbraw/zinc/22/07/23/598220723.db2.gz ANWPAQRXBHCHOB-UHFFFAOYSA-N -1 0 315.289 -0.228 20 0 DBADRM C[C@@H]1CCCCN1S(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC000035680376 600832831 /nfs/dbraw/zinc/83/28/31/600832831.db2.gz FZBUERPPOVILKQ-LLVKDONJSA-N -1 0 305.400 -0.192 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N1CCC[C@H](C(=O)[O-])C1 ZINC000738138791 600971647 /nfs/dbraw/zinc/97/16/47/600971647.db2.gz HKDQBTIJUWHKFE-QMMMGPOBSA-N -1 0 309.413 -0.793 20 0 DBADRM O=C(CSc1ccc(-c2nn[nH]n2)cc1)NCc1nnn[n-]1 ZINC000737941366 598697669 /nfs/dbraw/zinc/69/76/69/598697669.db2.gz MHBDWYWQSQVICW-UHFFFAOYSA-N -1 0 317.338 -0.212 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)COc1ccccc1-c1nn[nH]n1 ZINC000736659213 598752247 /nfs/dbraw/zinc/75/22/47/598752247.db2.gz QBRFEHOBKYBMIS-UHFFFAOYSA-N -1 0 311.323 -0.289 20 0 DBADRM CC[C@H](C)[C@H](O)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736326642 598773944 /nfs/dbraw/zinc/77/39/44/598773944.db2.gz BZAMTHLPUDRLGI-JGVFFNPUSA-N -1 0 323.357 -0.917 20 0 DBADRM CCOC(=O)CN(C(C)C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000088770074 601256144 /nfs/dbraw/zinc/25/61/44/601256144.db2.gz LYMGLUHOPHYUCN-UHFFFAOYSA-N -1 0 310.372 -0.089 20 0 DBADRM CSC[C@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000737175104 599443386 /nfs/dbraw/zinc/44/33/86/599443386.db2.gz ASNSOZIPYRCUFO-LURJTMIESA-N -1 0 311.371 -0.573 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCCC2CC2)n(C)c1=O ZINC000737595823 599443710 /nfs/dbraw/zinc/44/37/10/599443710.db2.gz LKQHRZSEJISDCR-UHFFFAOYSA-N -1 0 305.342 -0.134 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)OCC(=O)NC(=O)NCC(F)(F)F ZINC000739322636 599700923 /nfs/dbraw/zinc/70/09/23/599700923.db2.gz SVOPLBLWVCKKKN-CRCLSJGQSA-N -1 0 312.200 -0.362 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000737067070 599703240 /nfs/dbraw/zinc/70/32/40/599703240.db2.gz GTBIRFDXBKLBRF-VHSXEESVSA-N -1 0 314.338 -0.377 20 0 DBADRM CN(CCCC(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000737415982 599725837 /nfs/dbraw/zinc/72/58/37/599725837.db2.gz XKQHMBGBLCLOAP-UHFFFAOYSA-N -1 0 301.343 -0.306 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062132656 599727306 /nfs/dbraw/zinc/72/73/06/599727306.db2.gz HCCRBSKPZWDOIH-UWVGGRQHSA-N -1 0 320.367 -0.335 20 0 DBADRM C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(C[C@@H](F)C(=O)[O-])C1=O ZINC000736743242 599731343 /nfs/dbraw/zinc/73/13/43/599731343.db2.gz YKJZVDFPEITHAQ-YMTOWFKASA-N -1 0 323.280 -0.025 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000736133566 599733136 /nfs/dbraw/zinc/73/31/36/599733136.db2.gz AAGFNTKDBZWEQG-UHFFFAOYSA-N -1 0 300.359 -0.687 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)CCCN2C(=O)CNC2=O)n1 ZINC000739915657 599742274 /nfs/dbraw/zinc/74/22/74/599742274.db2.gz ZWLGRYVURUZMJW-UHFFFAOYSA-N -1 0 309.282 -0.762 20 0 DBADRM O=C([O-])NCCCC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000739955379 599742407 /nfs/dbraw/zinc/74/24/07/599742407.db2.gz ZRKRVJJPRMGBIS-UHFFFAOYSA-N -1 0 312.370 -0.543 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H](CO)C(=O)[O-])ccc1Cl ZINC000209542887 599742487 /nfs/dbraw/zinc/74/24/87/599742487.db2.gz QRCSWNKKSMTNME-SSDOTTSWSA-N -1 0 322.726 -0.837 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N[C@@H](CO)C(=O)[O-])ccc1Cl ZINC000037451244 599744056 /nfs/dbraw/zinc/74/40/56/599744056.db2.gz LKPZSHCYSVJOFB-QMMMGPOBSA-N -1 0 321.738 -0.081 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000737122239 599744408 /nfs/dbraw/zinc/74/44/08/599744408.db2.gz VILGIVZGLSCUFL-UHFFFAOYSA-N -1 0 300.359 -0.686 20 0 DBADRM O=C([O-])CSCCC(=O)NCCC(=O)N1CCOCC1 ZINC000739844109 599744815 /nfs/dbraw/zinc/74/48/15/599744815.db2.gz DSIHFIKCSXXOAV-UHFFFAOYSA-N -1 0 304.368 -0.441 20 0 DBADRM C[C@H](OC(=O)CNC(=O)CC1CCCC1)C(=O)NCC(=O)[O-] ZINC000736694464 599748756 /nfs/dbraw/zinc/74/87/56/599748756.db2.gz VKTUWLDKKVZDLK-VIFPVBQESA-N -1 0 314.338 -0.185 20 0 DBADRM CC(C)[C@@H](C(=O)OCC(=O)NCC(=O)[O-])N1CCCC1=O ZINC000736350244 599750335 /nfs/dbraw/zinc/75/03/35/599750335.db2.gz VGWZDLIFCFTCJL-LBPRGKRZSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CNC(=O)Cc1ccccc1 ZINC000737606249 599753947 /nfs/dbraw/zinc/75/39/47/599753947.db2.gz VCKHFLMQBSACKZ-UHFFFAOYSA-N -1 0 322.317 -0.569 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC000737222985 599756084 /nfs/dbraw/zinc/75/60/84/599756084.db2.gz QFCDRFVJJXSYMQ-UHFFFAOYSA-N -1 0 324.424 -0.312 20 0 DBADRM CC(=O)N1CCN(C(=O)CCNc2ccc(C(=O)[O-])nn2)CC1 ZINC000736135045 599762470 /nfs/dbraw/zinc/76/24/70/599762470.db2.gz VRXXINQIQJXOTH-UHFFFAOYSA-N -1 0 321.337 -0.333 20 0 DBADRM NC(=O)CN1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000738440972 599763962 /nfs/dbraw/zinc/76/39/62/599763962.db2.gz ORJNFWXOYXGBSN-UHFFFAOYSA-N -1 0 320.349 -0.574 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCN2CCOCC2)o1 ZINC000020593355 599765657 /nfs/dbraw/zinc/76/56/57/599765657.db2.gz QAWSGIYGNBJPTF-UHFFFAOYSA-N -1 0 304.324 -0.412 20 0 DBADRM CNC(=O)c1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000737546964 599769190 /nfs/dbraw/zinc/76/91/90/599769190.db2.gz PTRSKKSQBPDLGB-UHFFFAOYSA-N -1 0 303.278 -0.025 20 0 DBADRM Cc1ccnc(NC(=O)CN(C)[C@H](C)C(=O)NCC(=O)[O-])c1 ZINC000738792471 599772067 /nfs/dbraw/zinc/77/20/67/599772067.db2.gz JGXJEINBWUQNKX-SNVBAGLBSA-N -1 0 308.338 -0.150 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)CCCNC(=O)[O-])CC1 ZINC000737116836 599785060 /nfs/dbraw/zinc/78/50/60/599785060.db2.gz ZWYVVIPDVZBUBX-UHFFFAOYSA-N -1 0 300.359 -0.686 20 0 DBADRM C[C@@H](OC(=O)CN(C)C(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC000736693612 599785167 /nfs/dbraw/zinc/78/51/67/599785167.db2.gz QFGSZROCHCRJQD-MRVPVSSYSA-N -1 0 318.326 -0.014 20 0 DBADRM O=C([O-])CCNC(=O)Cn1nnc(COc2ccccc2)n1 ZINC000739734102 599816343 /nfs/dbraw/zinc/81/63/43/599816343.db2.gz RBEJJQQDUGXCCF-UHFFFAOYSA-N -1 0 305.294 -0.157 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC000737350203 599826305 /nfs/dbraw/zinc/82/63/05/599826305.db2.gz OHFHHNONTUOWGH-UHFFFAOYSA-N -1 0 317.411 -0.573 20 0 DBADRM CN(C(=O)Cn1ccc(=O)n(C)c1=O)c1ccccc1C(=O)[O-] ZINC000320739714 599838350 /nfs/dbraw/zinc/83/83/50/599838350.db2.gz YPNOMBTYBREMED-UHFFFAOYSA-N -1 0 317.301 -0.092 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N(C)CC(=O)N1CCOCC1 ZINC000736359845 599840651 /nfs/dbraw/zinc/84/06/51/599840651.db2.gz MUGAIWDEMRXVTB-LLVKDONJSA-N -1 0 301.343 -0.404 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCC1(C(N)=O)CCOCC1 ZINC000736365872 599842956 /nfs/dbraw/zinc/84/29/56/599842956.db2.gz AFBLFCAEKLGLGQ-SECBINFHSA-N -1 0 301.343 -0.323 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000736366933 599845150 /nfs/dbraw/zinc/84/51/50/599845150.db2.gz YSGYUYDYFVIUKW-NXEZZACHSA-N -1 0 321.399 -0.181 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000736369272 599845825 /nfs/dbraw/zinc/84/58/25/599845825.db2.gz ICHIFWVGVPZKIN-SECBINFHSA-N -1 0 307.372 -0.570 20 0 DBADRM CN(C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(C)(C)C(=O)[O-] ZINC000737341970 599848061 /nfs/dbraw/zinc/84/80/61/599848061.db2.gz WCKDWMAOHDRNRF-UHFFFAOYSA-N -1 0 320.305 -0.031 20 0 DBADRM CN(C(=O)C1CCN(S(N)(=O)=O)CC1)C(C)(C)C(=O)[O-] ZINC000737313417 599848528 /nfs/dbraw/zinc/84/85/28/599848528.db2.gz JIBONPOQWNZPBE-UHFFFAOYSA-N -1 0 307.372 -0.777 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O ZINC000736332034 599864167 /nfs/dbraw/zinc/86/41/67/599864167.db2.gz FPJNHZMPOINJKJ-QMMMGPOBSA-N -1 0 315.326 -0.558 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000737541050 599872712 /nfs/dbraw/zinc/87/27/12/599872712.db2.gz UNRFAZBSLNHCQQ-LLVKDONJSA-N -1 0 300.359 -0.831 20 0 DBADRM C[C@H](OC(=O)c1ccc(NCCO)cc1)C(=O)NCC(=O)[O-] ZINC000736690148 599882357 /nfs/dbraw/zinc/88/23/57/599882357.db2.gz MHTKOBFJEQFWRW-VIFPVBQESA-N -1 0 310.306 -0.163 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCCSCC(=O)[O-])s1 ZINC000739190020 599888111 /nfs/dbraw/zinc/88/81/11/599888111.db2.gz LZJRFJQTKTYLCD-UHFFFAOYSA-N -1 0 324.405 -0.057 20 0 DBADRM Cc1ccc(CN2C[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])CC2=O)cc1 ZINC000738594875 599897051 /nfs/dbraw/zinc/89/70/51/599897051.db2.gz VEXFQDDESPLCJZ-STQMWFEESA-N -1 0 320.345 -0.095 20 0 DBADRM CN(C(=O)NCCSCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000389435206 599906592 /nfs/dbraw/zinc/90/65/92/599906592.db2.gz BROKDUGYCJJPDR-MRVPVSSYSA-N -1 0 310.397 -0.367 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCCN(c2cccnn2)CC1 ZINC000736209773 599914587 /nfs/dbraw/zinc/91/45/87/599914587.db2.gz VWVVARWGFHGWCT-LLVKDONJSA-N -1 0 307.354 -0.422 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCCN(Cc2cnn(C)c2)CC1 ZINC000736207989 599917497 /nfs/dbraw/zinc/91/74/97/599917497.db2.gz LTYNZBRAMQGZLS-LBPRGKRZSA-N -1 0 323.397 -0.483 20 0 DBADRM C[C@H](CN(C(=O)CN1CCCS1(=O)=O)C1CC1)C(=O)[O-] ZINC000262073559 599917573 /nfs/dbraw/zinc/91/75/73/599917573.db2.gz ATCJSKBACCKZIS-SECBINFHSA-N -1 0 304.368 -0.266 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCN(C[C@@H](C)O)CC1)C(=O)[O-] ZINC000736413854 599921235 /nfs/dbraw/zinc/92/12/35/599921235.db2.gz VOMLOMCVHYOEGM-CHWSQXEVSA-N -1 0 315.414 -0.400 20 0 DBADRM CC(C)C[C@H](NC(=O)CN(C)C[C@H]1CN(C)CCO1)C(=O)[O-] ZINC000736414696 599923804 /nfs/dbraw/zinc/92/38/04/599923804.db2.gz ZVNXIFXRGLWGAL-OLZOCXBDSA-N -1 0 315.414 -0.136 20 0 DBADRM Nc1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc(Cl)n1 ZINC000739203864 599928213 /nfs/dbraw/zinc/92/82/13/599928213.db2.gz JSXSPRGDARNQDX-SSDOTTSWSA-N -1 0 312.713 -0.268 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)C ZINC000037656566 599929519 /nfs/dbraw/zinc/92/95/19/599929519.db2.gz OSCPZMFQRWIMAC-JTQLQIEISA-N -1 0 322.383 -0.185 20 0 DBADRM O=C([O-])c1ccc(OC[C@H](O)CN2CCCNC(=O)C2)cc1 ZINC000740307809 599939148 /nfs/dbraw/zinc/93/91/48/599939148.db2.gz VPGVBILOILHGQY-GFCCVEGCSA-N -1 0 308.334 -0.054 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CCn2cc[nH]c(=O)c2=O)c1O ZINC000739267702 599950175 /nfs/dbraw/zinc/95/01/75/599950175.db2.gz JVLBZMIDIMKHIF-UHFFFAOYSA-N -1 0 319.273 -0.031 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)c2cccc(N)c2C1=O ZINC000737615174 599953638 /nfs/dbraw/zinc/95/36/38/599953638.db2.gz IQKSPOJPKUEDAE-UHFFFAOYSA-N -1 0 321.289 -0.618 20 0 DBADRM CC(C)CN1C(=O)C(=O)N(CN2CCO[C@@H](C(=O)[O-])C2)C1=O ZINC000736432588 599956376 /nfs/dbraw/zinc/95/63/76/599956376.db2.gz PVIAGXWEIJVEAS-SECBINFHSA-N -1 0 313.310 -0.824 20 0 DBADRM CN(CCCNC(=O)CCSCC(=O)[O-])S(C)(=O)=O ZINC000737439596 599961893 /nfs/dbraw/zinc/96/18/93/599961893.db2.gz XYJBLPJWWOTKHZ-UHFFFAOYSA-N -1 0 312.413 -0.408 20 0 DBADRM O=C([O-])[C@@H]1CN(CCNS(=O)(=O)c2ccccc2)CCO1 ZINC000738547916 599966381 /nfs/dbraw/zinc/96/63/81/599966381.db2.gz DZGFQSRSCSJSOY-LBPRGKRZSA-N -1 0 314.363 -0.250 20 0 DBADRM O=C(CN1CCO[C@@H](C(=O)[O-])C1)NC[C@@H]1Cc2ccccc2O1 ZINC000738463944 599967410 /nfs/dbraw/zinc/96/74/10/599967410.db2.gz BZESDYUNVBWIFN-GXTWGEPZSA-N -1 0 320.345 -0.108 20 0 DBADRM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000736541062 599967974 /nfs/dbraw/zinc/96/79/74/599967974.db2.gz OYYINXRJCZCZMH-ZYHUDNBSSA-N -1 0 322.365 0.000 20 0 DBADRM CNC(=O)c1ccc(CN2C(=O)N[C@H](CC(=O)[O-])C2=O)cc1 ZINC000737547723 599969199 /nfs/dbraw/zinc/96/91/99/599969199.db2.gz ZAPDHECETNEIBI-SNVBAGLBSA-N -1 0 305.290 -0.059 20 0 DBADRM C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCO[C@H](C(=O)[O-])C1 ZINC000736211353 599973147 /nfs/dbraw/zinc/97/31/47/599973147.db2.gz KHJIHGLELUTWQQ-BDAKNGLRSA-N -1 0 301.343 -0.215 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCO[C@H](C(=O)[O-])C1)C(=O)OC ZINC000736881981 599974571 /nfs/dbraw/zinc/97/45/71/599974571.db2.gz GPYBHJVCOUVTDB-JBLDHEPKSA-N -1 0 316.354 -0.524 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])CCO1 ZINC000737586839 599975299 /nfs/dbraw/zinc/97/52/99/599975299.db2.gz JRXFEXPQBSCROD-MNOVXSKESA-N -1 0 316.354 -0.524 20 0 DBADRM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC000316200030 599981084 /nfs/dbraw/zinc/98/10/84/599981084.db2.gz VAAKQFNSABHTHH-TUAOUCFPSA-N -1 0 311.382 -0.234 20 0 DBADRM CCOc1cc(C(=O)NC2=NCC(=O)N2)ccc1OCC(=O)[O-] ZINC000737186017 599988974 /nfs/dbraw/zinc/98/89/74/599988974.db2.gz TUDGXXIXQGSJKA-UHFFFAOYSA-N -1 0 321.289 -0.236 20 0 DBADRM CNC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])cn1 ZINC000737544255 600002600 /nfs/dbraw/zinc/00/26/00/600002600.db2.gz CBRIOTUVAKRZOA-ZETCQYMHSA-N -1 0 309.278 -0.813 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000315307690 600004156 /nfs/dbraw/zinc/00/41/56/600004156.db2.gz JTZNEYJJNUFWSH-LLVKDONJSA-N -1 0 315.370 -0.855 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cc1c(C)nc(C)[nH]c1=O ZINC000737606445 600007647 /nfs/dbraw/zinc/00/76/47/600007647.db2.gz YYWGANXBHOIULW-UHFFFAOYSA-N -1 0 311.294 -0.572 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CS(=O)(=O)C1CCCC1 ZINC000737605496 600009618 /nfs/dbraw/zinc/00/96/18/600009618.db2.gz NAUROIJHMMWIFQ-UHFFFAOYSA-N -1 0 321.351 -0.570 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000737601982 600009852 /nfs/dbraw/zinc/00/98/52/600009852.db2.gz BKMWXAIKLLVHOR-LLVKDONJSA-N -1 0 321.285 -0.146 20 0 DBADRM Cn1ccc(C(=O)Cn2cnc3c(cnn3CC(=O)[O-])c2=O)c1 ZINC000739039882 600031728 /nfs/dbraw/zinc/03/17/28/600031728.db2.gz ZYVQHZZVMJCLBA-UHFFFAOYSA-N -1 0 315.289 -0.101 20 0 DBADRM CC(C)(C)NC(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000736262889 600032023 /nfs/dbraw/zinc/03/20/23/600032023.db2.gz PBMCASKIVVZXGV-UHFFFAOYSA-N -1 0 307.310 -0.408 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCNC(=O)c2cccnc2)CCO1 ZINC000738499710 600035408 /nfs/dbraw/zinc/03/54/08/600035408.db2.gz HOMKLVXEWXLDLR-NSHDSACASA-N -1 0 322.321 -0.694 20 0 DBADRM CC[C@@H](C)NC(=O)CCNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000045013942 600036544 /nfs/dbraw/zinc/03/65/44/600036544.db2.gz JFOBJGOVUOLMPI-ZJUUUORDSA-N -1 0 301.343 -0.214 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000737632857 600040181 /nfs/dbraw/zinc/04/01/81/600040181.db2.gz JVYVOOQJMGJIPZ-UWVGGRQHSA-N -1 0 315.326 -0.288 20 0 DBADRM CC1(C)CN(CCNC(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC000736735775 600040393 /nfs/dbraw/zinc/04/03/93/600040393.db2.gz RBFCHLCQQMFQIX-NSHDSACASA-N -1 0 315.370 -0.408 20 0 DBADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CCNC(=O)C1 ZINC000740306499 600046716 /nfs/dbraw/zinc/04/67/16/600046716.db2.gz GLEXRFNGBREGRS-ZDUSSCGKSA-N -1 0 317.345 -0.544 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000737536827 600046867 /nfs/dbraw/zinc/04/68/67/600046867.db2.gz MYDBTVXBVIDDNR-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)OCO3)CCO1 ZINC000739481470 600051669 /nfs/dbraw/zinc/05/16/69/600051669.db2.gz XMBCNZKRPCVZKC-NSHDSACASA-N -1 0 322.273 -0.334 20 0 DBADRM CS(=O)(=O)CCN1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000738153288 600073477 /nfs/dbraw/zinc/07/34/77/600073477.db2.gz PGMYGQJCUQMJLI-MNOVXSKESA-N -1 0 318.395 -0.668 20 0 DBADRM O=C([O-])CCN1CCN(S(=O)(=O)C[C@H]2CCOC2)CC1 ZINC000739727759 600083479 /nfs/dbraw/zinc/08/34/79/600083479.db2.gz CJKYEUVGHHJETH-NSHDSACASA-N -1 0 306.384 -0.555 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCOC[C@H]2CCOC2)CCO1 ZINC000738546974 600098663 /nfs/dbraw/zinc/09/86/63/600098663.db2.gz VQIAGHFCJDENAU-QWRGUYRKSA-N -1 0 302.327 -0.466 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000736840428 600106290 /nfs/dbraw/zinc/10/62/90/600106290.db2.gz YMDXBNCUPSBLMH-HTQZYQBOSA-N -1 0 318.351 -0.570 20 0 DBADRM CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NCC(=O)[O-])C1 ZINC000736280671 600111413 /nfs/dbraw/zinc/11/14/13/600111413.db2.gz IOFHIONKXXXPSN-VIFPVBQESA-N -1 0 301.343 -0.214 20 0 DBADRM COc1cc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])ccc1OCC(N)=O ZINC000737880488 600112029 /nfs/dbraw/zinc/11/20/29/600112029.db2.gz DVVDCNMZLSKIIN-UWVGGRQHSA-N -1 0 322.317 -0.104 20 0 DBADRM NC(=O)c1cccnc1N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000739184150 600116843 /nfs/dbraw/zinc/11/68/43/600116843.db2.gz MZTCYNJDNJETIR-QWRGUYRKSA-N -1 0 318.333 -0.450 20 0 DBADRM CC[C@@](NCC(=O)N1CCNC(=O)C1)(C(=O)[O-])c1ccccc1 ZINC000736915407 600131209 /nfs/dbraw/zinc/13/12/09/600131209.db2.gz CSTBKXCOWWZIRY-INIZCTEOSA-N -1 0 319.361 -0.076 20 0 DBADRM CCN(C(=O)CN(C)C(C)(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000061172752 600133989 /nfs/dbraw/zinc/13/39/89/600133989.db2.gz JWIBIXQQYIXYSX-SNVBAGLBSA-N -1 0 320.411 -0.183 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000740056753 600139222 /nfs/dbraw/zinc/13/92/22/600139222.db2.gz KONYBYIRPUPEMH-FVCCEPFGSA-N -1 0 312.366 -0.324 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000737642662 600140641 /nfs/dbraw/zinc/14/06/41/600140641.db2.gz HTQSRBJFSPBUCQ-NEPJUHHUSA-N -1 0 322.317 -0.069 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])o1 ZINC000737375271 600143013 /nfs/dbraw/zinc/14/30/13/600143013.db2.gz CZUNMCSJQGYNFS-SCZZXKLOSA-N -1 0 318.351 -0.450 20 0 DBADRM CC(C)[C@H](C)NC(=O)CN(CCN1CCOCC1)CC(=O)[O-] ZINC000736350832 600145700 /nfs/dbraw/zinc/14/57/00/600145700.db2.gz AKUKHZUBDVMVLZ-ZDUSSCGKSA-N -1 0 315.414 -0.134 20 0 DBADRM O=C([O-])c1ccc(F)cc1S(=O)(=O)N1CCNC(=O)C1 ZINC000229770331 600146058 /nfs/dbraw/zinc/14/60/58/600146058.db2.gz UVKQTJWYXXWKGK-UHFFFAOYSA-N -1 0 302.283 -0.356 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC000736147500 600166928 /nfs/dbraw/zinc/16/69/28/600166928.db2.gz BJOPNTJNKMXZDC-OUAUKWLOSA-N -1 0 312.322 -0.623 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC000736147498 600166962 /nfs/dbraw/zinc/16/69/62/600166962.db2.gz BJOPNTJNKMXZDC-MXWKQRLJSA-N -1 0 312.322 -0.623 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000736263221 600167107 /nfs/dbraw/zinc/16/71/07/600167107.db2.gz RIEVSJDRXGRMCD-HTQZYQBOSA-N -1 0 300.311 -0.719 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000736147494 600167110 /nfs/dbraw/zinc/16/71/10/600167110.db2.gz BJOPNTJNKMXZDC-GMTAPVOTSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)Sc1nncn1C ZINC000737603534 600170644 /nfs/dbraw/zinc/17/06/44/600170644.db2.gz DWLKXXXUADFCOO-ZETCQYMHSA-N -1 0 316.339 -0.618 20 0 DBADRM COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cn1 ZINC000737920401 600171351 /nfs/dbraw/zinc/17/13/51/600171351.db2.gz DEHVPIGALVHUSO-UHFFFAOYSA-N -1 0 323.349 -0.051 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000737580277 600174304 /nfs/dbraw/zinc/17/43/04/600174304.db2.gz WJTZJLPRQDESOR-ZJUUUORDSA-N -1 0 313.306 -0.338 20 0 DBADRM COC(=O)[C@H]1C[C@@H]1C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000737580271 600174451 /nfs/dbraw/zinc/17/44/51/600174451.db2.gz WJTZJLPRQDESOR-UWVGGRQHSA-N -1 0 313.306 -0.338 20 0 DBADRM CS(=O)(=O)C1(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)CCCC1 ZINC000738151263 600181139 /nfs/dbraw/zinc/18/11/39/600181139.db2.gz SOEBZTCUGGYTND-UHFFFAOYSA-N -1 0 316.339 -0.272 20 0 DBADRM O=C([O-])c1ccc(C(=O)OCCCN2C(=O)CNC2=O)nc1 ZINC000740120045 600185946 /nfs/dbraw/zinc/18/59/46/600185946.db2.gz BZEZEHQHNKITGK-UHFFFAOYSA-N -1 0 307.262 -0.122 20 0 DBADRM C[C@@](NC(=O)C1CCN(S(N)(=O)=O)CC1)(C(=O)[O-])C1CC1 ZINC000736632741 600199310 /nfs/dbraw/zinc/19/93/10/600199310.db2.gz ZTJHHTHFRHUJLB-LBPRGKRZSA-N -1 0 319.383 -0.729 20 0 DBADRM COCCn1nc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)ccc1=O ZINC000386560644 600200200 /nfs/dbraw/zinc/20/02/00/600200200.db2.gz NVCPZWBERSRQEG-CQSZACIVSA-N -1 0 309.322 -0.127 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCNC(=O)[O-])CC1 ZINC000736134833 600200530 /nfs/dbraw/zinc/20/05/30/600200530.db2.gz QQBIGZBLSKMKNQ-VIFPVBQESA-N -1 0 315.326 -0.734 20 0 DBADRM O=C([O-])NCCC(=O)OCC(=O)NC(=O)NCC(F)(F)F ZINC000739949548 600203484 /nfs/dbraw/zinc/20/34/84/600203484.db2.gz WYOLJCHBSCVKMH-UHFFFAOYSA-N -1 0 315.204 -0.425 20 0 DBADRM CS(=O)(=O)NCCC(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC000738164734 600204343 /nfs/dbraw/zinc/20/43/43/600204343.db2.gz DLAFERVDSPKPEI-UHFFFAOYSA-N -1 0 322.368 -0.567 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)N(C)CC(=O)[O-] ZINC000736746325 600218394 /nfs/dbraw/zinc/21/83/94/600218394.db2.gz JKADYBPQLNZLHN-UWVGGRQHSA-N -1 0 306.384 -0.573 20 0 DBADRM C[C@@H]1[C@H](C)N(CCC(=O)N(C)CC(=O)[O-])CCS1(=O)=O ZINC000736746329 600218376 /nfs/dbraw/zinc/21/83/76/600218376.db2.gz JKADYBPQLNZLHN-VHSXEESVSA-N -1 0 306.384 -0.573 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1C[C@H](O)C[C@H]1C(=O)OC)C(=O)[O-] ZINC000736889334 600230645 /nfs/dbraw/zinc/23/06/45/600230645.db2.gz XDTOMZVCOGGCTK-SVDPJWKOSA-N -1 0 316.354 -0.790 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@H](O)C[C@H]1C(=O)OC)C(=O)[O-] ZINC000736889336 600230708 /nfs/dbraw/zinc/23/07/08/600230708.db2.gz XDTOMZVCOGGCTK-WYFGTUCQSA-N -1 0 316.354 -0.790 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-])C(=O)OC ZINC000736889309 600230799 /nfs/dbraw/zinc/23/07/99/600230799.db2.gz XBBNYPFDWLKQIH-MWGHHZFTSA-N -1 0 316.354 -0.790 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1C[C@H](O)C[C@H]1C(=O)OC)C(=O)[O-] ZINC000736889332 600230860 /nfs/dbraw/zinc/23/08/60/600230860.db2.gz XDTOMZVCOGGCTK-MWGHHZFTSA-N -1 0 316.354 -0.790 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000037435616 600236365 /nfs/dbraw/zinc/23/63/65/600236365.db2.gz GWDPOZWSYKSLDS-JTQLQIEISA-N -1 0 304.368 -0.266 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000737220747 600237523 /nfs/dbraw/zinc/23/75/23/600237523.db2.gz NXIMUDDYXKCGAA-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM CNC(=O)c1ccc(C(=O)N[C@H](CC(=O)OC)C(=O)[O-])cn1 ZINC000737544296 600243009 /nfs/dbraw/zinc/24/30/09/600243009.db2.gz FTRNJZFBMAWPLJ-SECBINFHSA-N -1 0 309.278 -0.813 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CN(C)C(=O)OC(C)(C)C ZINC000737569211 600243851 /nfs/dbraw/zinc/24/38/51/600243851.db2.gz ZCMXJZJNUZVZRV-MRVPVSSYSA-N -1 0 318.326 -0.014 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](C)OC[C@H]1CCCO1 ZINC000737566116 600245717 /nfs/dbraw/zinc/24/57/17/600245717.db2.gz KZQCFSJEUGJSGV-BBBLOLIVSA-N -1 0 303.311 -0.297 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@@H](C)OC[C@H]1CCCO1)C(=O)[O-] ZINC000737598426 600245902 /nfs/dbraw/zinc/24/59/02/600245902.db2.gz PKGJTXRKYPZDHX-BBBLOLIVSA-N -1 0 303.311 -0.297 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc(C(N)=O)s1)C(=O)[O-] ZINC000737594264 600246129 /nfs/dbraw/zinc/24/61/29/600246129.db2.gz ZDUPUYZMAVZHCM-RXMQYKEDSA-N -1 0 300.292 -0.407 20 0 DBADRM Cn1cc(C(=O)NC2(C(=O)[O-])CCCCC2)c(=O)n(C)c1=O ZINC000739027964 600249345 /nfs/dbraw/zinc/24/93/45/600249345.db2.gz ZXXVGVXBCJWCJC-UHFFFAOYSA-N -1 0 309.322 -0.399 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CNC(=O)OCC(F)(F)F)CCO1 ZINC000738486170 600251358 /nfs/dbraw/zinc/25/13/58/600251358.db2.gz CCHHJRYGSAKHQK-ZCFIWIBFSA-N -1 0 314.216 -0.413 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)NCCSCCC(=O)[O-] ZINC000738157968 600253627 /nfs/dbraw/zinc/25/36/27/600253627.db2.gz NKCFCUINFSSZEO-VIFPVBQESA-N -1 0 324.424 -0.266 20 0 DBADRM O=C([O-])CCSCCNC(=O)Cn1nc2ccccn2c1=O ZINC000739746040 600254081 /nfs/dbraw/zinc/25/40/81/600254081.db2.gz YJSGFMIBNYAOGQ-UHFFFAOYSA-N -1 0 324.362 -0.180 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CCCn1ccccc1=O ZINC000737569214 600254959 /nfs/dbraw/zinc/25/49/59/600254959.db2.gz ZCPKCDIORKZSKP-JTQLQIEISA-N -1 0 310.306 -0.239 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCCSCCC(=O)[O-])o1 ZINC000739188926 600261773 /nfs/dbraw/zinc/26/17/73/600261773.db2.gz HFPJFUIZTWJIOM-UHFFFAOYSA-N -1 0 322.364 -0.135 20 0 DBADRM Cn1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])ccc1=O ZINC000739025844 600262925 /nfs/dbraw/zinc/26/29/25/600262925.db2.gz MKHKAJHQHDTLQF-UHFFFAOYSA-N -1 0 323.349 -0.756 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1cnns1 ZINC000739789541 600263298 /nfs/dbraw/zinc/26/32/98/600263298.db2.gz BSIGNPWZSQSKDF-UHFFFAOYSA-N -1 0 300.340 -0.603 20 0 DBADRM CCO[C@@H]1C[C@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737164207 600263413 /nfs/dbraw/zinc/26/34/13/600263413.db2.gz AYDMQHHZUOGLDL-VXGBXAGGSA-N -1 0 300.355 -0.343 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737580474 600265518 /nfs/dbraw/zinc/26/55/18/600265518.db2.gz XODHIEITXDTDDP-WDEREUQCSA-N -1 0 314.338 -0.959 20 0 DBADRM COC(=O)[C@H]1C[C@@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737580471 600265619 /nfs/dbraw/zinc/26/56/19/600265619.db2.gz XODHIEITXDTDDP-QWRGUYRKSA-N -1 0 314.338 -0.959 20 0 DBADRM Cc1cnn(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])c1 ZINC000738810208 600265953 /nfs/dbraw/zinc/26/59/53/600265953.db2.gz UJFFMIZUAHUEPO-UHFFFAOYSA-N -1 0 310.354 -0.563 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC000736672516 600268712 /nfs/dbraw/zinc/26/87/12/600268712.db2.gz QGROOOYUTZNKCC-RXMQYKEDSA-N -1 0 322.368 -0.569 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1=O ZINC000262383943 600271027 /nfs/dbraw/zinc/27/10/27/600271027.db2.gz PKBHAQCDUPAKDS-SNVBAGLBSA-N -1 0 321.333 -0.740 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(C(=O)Cn1ccc(=O)[nH]c1=O)CC2 ZINC000405329725 600274031 /nfs/dbraw/zinc/27/40/31/600274031.db2.gz YZECCLVVIDXBAV-VIFPVBQESA-N -1 0 307.306 -0.338 20 0 DBADRM CCOC(=O)[C@H]1CSCCN1CCC(=O)NCC(=O)[O-] ZINC000737136705 600289846 /nfs/dbraw/zinc/28/98/46/600289846.db2.gz VLNCRFZNEIDBEL-SECBINFHSA-N -1 0 304.368 -0.442 20 0 DBADRM NC(=O)CCCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000739158396 600305186 /nfs/dbraw/zinc/30/51/86/600305186.db2.gz ZUQZCISPQLEVJV-UHFFFAOYSA-N -1 0 311.269 -0.156 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737537058 600309695 /nfs/dbraw/zinc/30/96/95/600309695.db2.gz RZXZXVOKWKZEIK-UHFFFAOYSA-N -1 0 311.269 -0.333 20 0 DBADRM COCc1ccc(CNC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000737834657 600310259 /nfs/dbraw/zinc/31/02/59/600310259.db2.gz TXPDSPDLTFRGFG-KGLIPLIRSA-N -1 0 322.361 -0.031 20 0 DBADRM COCc1cccc(CNC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000737834262 600311790 /nfs/dbraw/zinc/31/17/90/600311790.db2.gz NJULQLMDSFTLIT-KGLIPLIRSA-N -1 0 322.361 -0.031 20 0 DBADRM Cn1c(CN2C[C@H](O)C[C@H]2C(=O)[O-])nc2ccccc2c1=O ZINC000739013952 600311903 /nfs/dbraw/zinc/31/19/03/600311903.db2.gz JWFKQKHNVKHENR-SKDRFNHKSA-N -1 0 303.318 -0.047 20 0 DBADRM CN(CC1CC1)C(=O)CN(CCN1CCOCC1)CC(=O)[O-] ZINC000737408818 600316507 /nfs/dbraw/zinc/31/65/07/600316507.db2.gz DEXDLBJLNQBWCX-UHFFFAOYSA-N -1 0 313.398 -0.426 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCC(=O)[O-])ccc1-n1cnnn1 ZINC000738233501 600335088 /nfs/dbraw/zinc/33/50/88/600335088.db2.gz CFXWGANGMYQAPZ-UHFFFAOYSA-N -1 0 318.293 -0.500 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)c1C(=O)[O-] ZINC000070197595 600338975 /nfs/dbraw/zinc/33/89/75/600338975.db2.gz KQIWMMWRDCCSMW-ZETCQYMHSA-N -1 0 316.339 -0.698 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])ccc1C(N)=O ZINC000738410033 600343514 /nfs/dbraw/zinc/34/35/14/600343514.db2.gz BEIWLHBTHYYLKI-MRVPVSSYSA-N -1 0 307.306 -0.131 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000736587608 600343969 /nfs/dbraw/zinc/34/39/69/600343969.db2.gz YUMDECGCSUQCHO-MRVPVSSYSA-N -1 0 318.293 -0.562 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000736589320 600346672 /nfs/dbraw/zinc/34/66/72/600346672.db2.gz YTLPZHDKPCSZCM-QMMMGPOBSA-N -1 0 323.305 -0.674 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000737540082 600347252 /nfs/dbraw/zinc/34/72/52/600347252.db2.gz KTJWKFKNGUNLQV-VIFPVBQESA-N -1 0 321.333 -0.250 20 0 DBADRM CC(C)(O)CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736343666 600347610 /nfs/dbraw/zinc/34/76/10/600347610.db2.gz HYITVYAXZKDXTR-UHFFFAOYSA-N -1 0 310.306 -0.024 20 0 DBADRM CN1CCN(C)[C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000225331551 600347677 /nfs/dbraw/zinc/34/76/77/600347677.db2.gz SMQFNAKVVBKCDP-VIFPVBQESA-N -1 0 317.367 -0.498 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCn2cncn2)c(F)c1 ZINC000739433165 600348430 /nfs/dbraw/zinc/34/84/30/600348430.db2.gz WYGVAPQIUXOFJS-UHFFFAOYSA-N -1 0 321.268 -0.130 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738180705 600348661 /nfs/dbraw/zinc/34/86/61/600348661.db2.gz YLDSUGPHYRZDQU-OAQYLSRUSA-N -1 0 316.310 -0.043 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)c2ccccc21 ZINC000740306312 600366022 /nfs/dbraw/zinc/36/60/22/600366022.db2.gz BIUYBASNHWPDJG-SECBINFHSA-N -1 0 303.274 -0.247 20 0 DBADRM C[C@H](CN(C)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000736576370 600376912 /nfs/dbraw/zinc/37/69/12/600376912.db2.gz YUNLPRHJWVGNEP-MXWKQRLJSA-N -1 0 320.411 -0.327 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCC(=O)[O-] ZINC000736268142 600387581 /nfs/dbraw/zinc/38/75/81/600387581.db2.gz PFAKZBHOTGDWOT-BDAKNGLRSA-N -1 0 302.327 -0.052 20 0 DBADRM C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000737676892 600387268 /nfs/dbraw/zinc/38/72/68/600387268.db2.gz RPZAKTITXSVPKO-DJLDLDEBSA-N -1 0 302.327 -0.054 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCCC(=O)[O-] ZINC000736268144 600387667 /nfs/dbraw/zinc/38/76/67/600387667.db2.gz PFAKZBHOTGDWOT-DTWKUNHWSA-N -1 0 302.327 -0.052 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000037464640 600399598 /nfs/dbraw/zinc/39/95/98/600399598.db2.gz NNPRXWGRNJCCBU-UHFFFAOYSA-N -1 0 308.356 -0.045 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC000314806843 600420697 /nfs/dbraw/zinc/42/06/97/600420697.db2.gz FGVCQHAKQBGNNK-UHFFFAOYSA-N -1 0 313.310 -0.312 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCn3cnnc3C2)cc1 ZINC000738511366 600421267 /nfs/dbraw/zinc/42/12/67/600421267.db2.gz MKKUKYXPPSPAQI-UHFFFAOYSA-N -1 0 315.289 -0.043 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCS(=O)(=O)[C@@H](C)C1)C(=O)[O-] ZINC000736889089 600433400 /nfs/dbraw/zinc/43/34/00/600433400.db2.gz WVDFSTAOXRPSJB-JBLDHEPKSA-N -1 0 320.411 -0.279 20 0 DBADRM Cc1nc(CN2CCN(CC(=O)NCCC(=O)[O-])CC2)no1 ZINC000738859307 600442867 /nfs/dbraw/zinc/44/28/67/600442867.db2.gz XOMKJLVJONSAFY-UHFFFAOYSA-N -1 0 311.342 -0.913 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)NCCCCC(=O)[O-])CCO1 ZINC000736148235 600465288 /nfs/dbraw/zinc/46/52/88/600465288.db2.gz OTEORVKEWULZNZ-NSHDSACASA-N -1 0 301.343 -0.212 20 0 DBADRM CN(CCNC(=O)N1CCO[C@@H](C(=O)[O-])C1)CC(F)(F)F ZINC000737442736 600471058 /nfs/dbraw/zinc/47/10/58/600471058.db2.gz JJDROOZQWWYMIQ-MRVPVSSYSA-N -1 0 313.276 -0.025 20 0 DBADRM CC(C)C[C@@H](NC(=O)Cn1cnnc1[S@@](C)=O)C(=O)[O-] ZINC000736414832 600475102 /nfs/dbraw/zinc/47/51/02/600475102.db2.gz JSDGATVPWCXZJK-ZPWHCFADSA-N -1 0 302.356 -0.369 20 0 DBADRM CC(C)C[C@H](NC(=O)Cn1cnnc1[S@](C)=O)C(=O)[O-] ZINC000736414829 600475128 /nfs/dbraw/zinc/47/51/28/600475128.db2.gz JSDGATVPWCXZJK-FHZGZLOMSA-N -1 0 302.356 -0.369 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000263019903 600492475 /nfs/dbraw/zinc/49/24/75/600492475.db2.gz OJBSVDKVQQFRSS-SNVBAGLBSA-N -1 0 321.399 -0.180 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)NCCCN2C(=O)CNC2=O)C1 ZINC000738537800 600495297 /nfs/dbraw/zinc/49/52/97/600495297.db2.gz LAYADXFNDWJCCJ-SECBINFHSA-N -1 0 312.326 -0.566 20 0 DBADRM NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)CCCC(=O)[O-] ZINC000738437125 600496338 /nfs/dbraw/zinc/49/63/38/600496338.db2.gz LVSZAEQQSXLDTI-LLVKDONJSA-N -1 0 314.363 -0.133 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCC(=O)Nc1cccnc1 ZINC000738582746 600497647 /nfs/dbraw/zinc/49/76/47/600497647.db2.gz RNBPGKQIYYUBPC-UHFFFAOYSA-N -1 0 301.324 -0.196 20 0 DBADRM C[C@@H](NS(=O)(=O)CCCC(=O)[O-])[C@@H](C)N1CCOCC1 ZINC000736665814 600498666 /nfs/dbraw/zinc/49/86/66/600498666.db2.gz ZJAQNRSOGGVBNZ-GHMZBOCLSA-N -1 0 308.400 -0.120 20 0 DBADRM CCc1nnc2n1CCN(S(=O)(=O)CCCC(=O)[O-])C2 ZINC000737287338 600499935 /nfs/dbraw/zinc/49/99/35/600499935.db2.gz GJMFBZMAQURPLV-UHFFFAOYSA-N -1 0 302.356 -0.149 20 0 DBADRM C[C@H](CN(C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C(=O)[O-] ZINC000736570767 600506810 /nfs/dbraw/zinc/50/68/10/600506810.db2.gz GOLYGASVWZTBJQ-SSDOTTSWSA-N -1 0 324.337 -0.299 20 0 DBADRM CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)C1=O ZINC000737515524 600509771 /nfs/dbraw/zinc/50/97/71/600509771.db2.gz XHXMSTHIEZKTKL-LLVKDONJSA-N -1 0 319.317 -0.401 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)N[C@H]2CCS(=O)(=O)C2)o1 ZINC000094555605 600543577 /nfs/dbraw/zinc/54/35/77/600543577.db2.gz IWQDBXXQUAEUPH-ZETCQYMHSA-N -1 0 302.308 -0.036 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccnc(N2CCCC2)n1 ZINC000737574956 600546920 /nfs/dbraw/zinc/54/69/20/600546920.db2.gz OXQRDDHRZSJOHB-SNVBAGLBSA-N -1 0 322.321 -0.177 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Oc2cccc(C(=O)[O-])c2)C1=O ZINC000737510833 600551190 /nfs/dbraw/zinc/55/11/90/600551190.db2.gz YSWWTZWHIZTMBE-UHFFFAOYSA-N -1 0 306.230 -0.289 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N[C@H](CO)C2CC2)c1 ZINC000738615513 600551451 /nfs/dbraw/zinc/55/14/51/600551451.db2.gz JDCJXWRBZZSFOC-GFCCVEGCSA-N -1 0 322.317 -0.024 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2cccc(F)c2C(=O)[O-])C1=O ZINC000737506702 600555912 /nfs/dbraw/zinc/55/59/12/600555912.db2.gz CVBFPXUHZAPGHD-UHFFFAOYSA-N -1 0 323.236 -0.117 20 0 DBADRM CC(C)N(CCC(=O)[O-])C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000736464577 600559472 /nfs/dbraw/zinc/55/94/72/600559472.db2.gz IPMLSPCVMSGVBV-UHFFFAOYSA-N -1 0 307.310 -0.217 20 0 DBADRM CN(CCCNC(=O)N1CCC(C(=O)[O-])CC1)S(C)(=O)=O ZINC000737439032 600561128 /nfs/dbraw/zinc/56/11/28/600561128.db2.gz DERNTFXPFFPDCT-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM CCc1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)CC2 ZINC000737283315 600566274 /nfs/dbraw/zinc/56/62/74/600566274.db2.gz GUDILZBACMHDER-UWVGGRQHSA-N -1 0 323.353 -0.350 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000738164965 600569013 /nfs/dbraw/zinc/56/90/13/600569013.db2.gz JLFMYKCYDXOCRA-UHFFFAOYSA-N -1 0 319.343 -0.972 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NCCCN2CCOCC2)n1 ZINC000739913009 600571079 /nfs/dbraw/zinc/57/10/79/600571079.db2.gz BVUBUWUAIVBPEQ-UHFFFAOYSA-N -1 0 311.342 -0.189 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000227692649 600571797 /nfs/dbraw/zinc/57/17/97/600571797.db2.gz VNKHMNBIZAPRBL-JTQLQIEISA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000227692643 600572111 /nfs/dbraw/zinc/57/21/11/600572111.db2.gz VNKHMNBIZAPRBL-SNVBAGLBSA-N -1 0 318.395 -0.572 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCn2c(nnc2C(F)(F)F)C1 ZINC000739809170 600575873 /nfs/dbraw/zinc/57/58/73/600575873.db2.gz OGLPMNZCCRXGEH-UHFFFAOYSA-N -1 0 321.259 -0.297 20 0 DBADRM CNC(=O)CNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000037224904 600576818 /nfs/dbraw/zinc/57/68/18/600576818.db2.gz DUVKYGYSWFQFDR-UHFFFAOYSA-N -1 0 302.308 -0.582 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000228735185 600586738 /nfs/dbraw/zinc/58/67/38/600586738.db2.gz DFLMIDNSFKWZEI-ZETCQYMHSA-N -1 0 323.348 -0.215 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000736148189 600593531 /nfs/dbraw/zinc/59/35/31/600593531.db2.gz HINABWYPGQVHPG-GXSJLCMTSA-N -1 0 313.354 -0.707 20 0 DBADRM C[C@H](CN(C)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000736574423 600593900 /nfs/dbraw/zinc/59/39/00/600593900.db2.gz CXIBAAGLWXFCRS-SSDOTTSWSA-N -1 0 320.305 -0.173 20 0 DBADRM C[C@@H](CSCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000736613293 600604321 /nfs/dbraw/zinc/60/43/21/600604321.db2.gz KQHYDTYPIXJGIJ-LURJTMIESA-N -1 0 315.351 -0.697 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCS(=O)(=O)C[C@@H]1C)C(=O)[O-] ZINC000736888547 600623041 /nfs/dbraw/zinc/62/30/41/600623041.db2.gz UXXYNFGEUKZYLY-NHCYSSNCSA-N -1 0 320.411 -0.279 20 0 DBADRM Cc1nn(C)cc1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000738920304 600631549 /nfs/dbraw/zinc/63/15/49/600631549.db2.gz YAWDQYVDFIJPDX-UHFFFAOYSA-N -1 0 310.354 -0.412 20 0 DBADRM O=C([O-])CCCc1nnc(NC(=O)N2CCNC(=O)C2)s1 ZINC000739708061 600632076 /nfs/dbraw/zinc/63/20/76/600632076.db2.gz MKYQNIJJORUAOB-UHFFFAOYSA-N -1 0 313.339 -0.091 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000737799404 600633910 /nfs/dbraw/zinc/63/39/10/600633910.db2.gz QMKCPUNLYVKJIV-UHFFFAOYSA-N -1 0 320.323 -0.510 20 0 DBADRM COc1ccc(NC(=O)CN2CC(=O)NC2=O)c(C(=O)[O-])c1 ZINC000738028397 600639887 /nfs/dbraw/zinc/63/98/87/600639887.db2.gz QMUKEHRIRZFNNH-UHFFFAOYSA-N -1 0 307.262 -0.116 20 0 DBADRM COc1ccc([C@@H](NC(=O)CN2CC(=O)NC2=O)C(=O)[O-])cc1 ZINC000737961639 600640951 /nfs/dbraw/zinc/64/09/51/600640951.db2.gz VUGLVOGZMOHOSR-GFCCVEGCSA-N -1 0 321.289 -0.511 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)CN1CC(=O)NC1=O ZINC000739717186 600641534 /nfs/dbraw/zinc/64/15/34/600641534.db2.gz QDINXRWJGCINFY-SECBINFHSA-N -1 0 313.310 -0.980 20 0 DBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CCC(=O)N(C)CC(=O)[O-] ZINC000736223958 600642249 /nfs/dbraw/zinc/64/22/49/600642249.db2.gz MWSKAJUDWKGLOQ-UWVGGRQHSA-N -1 0 308.400 -0.327 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(CC(=O)NCCC(=O)[O-])C1CC1 ZINC000736607615 600642459 /nfs/dbraw/zinc/64/24/59/600642459.db2.gz UWYIKHUOQAAZGJ-VIFPVBQESA-N -1 0 306.384 -0.525 20 0 DBADRM C[C@H](OC(=O)C(C)(C)NC(=O)[O-])C(=O)NC(=O)NC1CC1 ZINC000827804471 600661489 /nfs/dbraw/zinc/66/14/89/600661489.db2.gz YWTSWZAQNANXNF-LURJTMIESA-N -1 0 301.299 -0.048 20 0 DBADRM C[C@@H](OC(=O)C(C)(C)NC(=O)[O-])C(=O)NC(=O)NC1CC1 ZINC000827804472 600661494 /nfs/dbraw/zinc/66/14/94/600661494.db2.gz YWTSWZAQNANXNF-ZCFIWIBFSA-N -1 0 301.299 -0.048 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000831176338 600676108 /nfs/dbraw/zinc/67/61/08/600676108.db2.gz YQKWCTAQPYRUQL-APPZFPTMSA-N -1 0 304.299 -0.501 20 0 DBADRM Cn1cc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1=O ZINC000037789823 600676942 /nfs/dbraw/zinc/67/69/42/600676942.db2.gz RSPZPYJLYISFML-UHFFFAOYSA-N -1 0 312.307 -0.533 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC000739192628 600680189 /nfs/dbraw/zinc/68/01/89/600680189.db2.gz MUIBFRBLZMQAKG-SECBINFHSA-N -1 0 313.335 -0.327 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccccc1)C(N)=O ZINC000736155340 600681149 /nfs/dbraw/zinc/68/11/49/600681149.db2.gz BZKROPRYKURKPW-NEPJUHHUSA-N -1 0 321.333 -0.301 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)CC1CCOCC1)C(=O)[O-] ZINC000831134279 600700710 /nfs/dbraw/zinc/70/07/10/600700710.db2.gz OZCUZOQACOYCMI-SECBINFHSA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)c1cn(CN2CCSC[C@H]2CC(=O)[O-])nn1 ZINC000737711400 600702477 /nfs/dbraw/zinc/70/24/77/600702477.db2.gz GHAUHMWGWYJZOT-MRVPVSSYSA-N -1 0 300.340 -0.086 20 0 DBADRM CC(C)N1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000036170851 600703977 /nfs/dbraw/zinc/70/39/77/600703977.db2.gz IDPSAMVNCODLOU-UHFFFAOYSA-N -1 0 316.383 -0.318 20 0 DBADRM COC(=O)C[C@H]1CSCCN1Cn1cnc(C(=O)[O-])n1 ZINC000737589394 600704824 /nfs/dbraw/zinc/70/48/24/600704824.db2.gz ATMBUZGSGHAZFT-QMMMGPOBSA-N -1 0 300.340 -0.086 20 0 DBADRM CN(C)c1cc2c(nn1)CCN(Cn1cnc(C(=O)[O-])n1)C2 ZINC000737373590 600706103 /nfs/dbraw/zinc/70/61/03/600706103.db2.gz CTYRTDPTOPDXOS-UHFFFAOYSA-N -1 0 303.326 -0.152 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N(CC(=O)[O-])C(C)C)cn1 ZINC000262428098 600709322 /nfs/dbraw/zinc/70/93/22/600709322.db2.gz NWIDAVCIVWOFNB-UHFFFAOYSA-N -1 0 319.339 -0.460 20 0 DBADRM C[C@@H](CN1CCOCC1)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037016575 600710443 /nfs/dbraw/zinc/71/04/43/600710443.db2.gz ZKVRKVZKEGXDNN-VIFPVBQESA-N -1 0 317.367 -0.288 20 0 DBADRM CN1CCN(CC(=O)Nc2nc(CC(=O)[O-])cs2)CC1=O ZINC000737526836 600716304 /nfs/dbraw/zinc/71/63/04/600716304.db2.gz XLKCXVVBXHIKHF-UHFFFAOYSA-N -1 0 312.351 -0.517 20 0 DBADRM CN(C)C(=O)CCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000390346318 600722977 /nfs/dbraw/zinc/72/29/77/600722977.db2.gz NPHRFXWVXMCRFM-UHFFFAOYSA-N -1 0 318.355 -0.886 20 0 DBADRM CN(C)C(=O)CCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000390331376 600723098 /nfs/dbraw/zinc/72/30/98/600723098.db2.gz KIUSACXUHZIBCY-UHFFFAOYSA-N -1 0 303.340 -0.140 20 0 DBADRM CCOC(=O)CCN(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000045699607 600725472 /nfs/dbraw/zinc/72/54/72/600725472.db2.gz GBDHURULDCWYTF-UHFFFAOYSA-N -1 0 319.339 -0.459 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCC(=O)OCC2CC2)cn1 ZINC000833274439 600734335 /nfs/dbraw/zinc/73/43/35/600734335.db2.gz UXKASGJDIBPPRX-UHFFFAOYSA-N -1 0 317.323 -0.801 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)N1CCN(C(=O)[O-])CC1 ZINC000829674987 600754795 /nfs/dbraw/zinc/75/47/95/600754795.db2.gz UVCQTGIRWNYFCH-UHFFFAOYSA-N -1 0 323.371 -0.947 20 0 DBADRM COc1ccc(NC(=O)C[C@H](NC(C)=O)C(N)=O)c(C(=O)[O-])c1 ZINC000738032525 600758108 /nfs/dbraw/zinc/75/81/08/600758108.db2.gz ZUFKOJRZZJMFBR-NSHDSACASA-N -1 0 323.305 -0.288 20 0 DBADRM CCCCn1c(N)c(N(C)C[C@](C)(O)C(=O)[O-])c(=O)[nH]c1=O ZINC000737005034 600761727 /nfs/dbraw/zinc/76/17/27/600761727.db2.gz ZLAMCWRKRSAECH-ZDUSSCGKSA-N -1 0 314.342 -0.397 20 0 DBADRM COCCOC[C@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000831762920 600770236 /nfs/dbraw/zinc/77/02/36/600770236.db2.gz MHOZICQPLUTAAR-JTQLQIEISA-N -1 0 324.399 -0.331 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000827767467 600780302 /nfs/dbraw/zinc/78/03/02/600780302.db2.gz AQIFTGADBFKZDU-KOLCDFICSA-N -1 0 314.363 -0.091 20 0 DBADRM CC[S@@](=O)CCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000132144036 600781674 /nfs/dbraw/zinc/78/16/74/600781674.db2.gz DMUAEXANULYRML-SFHVURJKSA-N -1 0 308.381 -0.230 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC000738154951 600784521 /nfs/dbraw/zinc/78/45/21/600784521.db2.gz NDTLKUAYBDECCV-SFYZADRCSA-N -1 0 301.324 -0.413 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC000738154949 600784633 /nfs/dbraw/zinc/78/46/33/600784633.db2.gz NDTLKUAYBDECCV-HTQZYQBOSA-N -1 0 301.324 -0.413 20 0 DBADRM O=C([O-])c1ccsc1N1CC[C@@H](N2CCNC(=O)C2)C1=O ZINC000833359125 600793886 /nfs/dbraw/zinc/79/38/86/600793886.db2.gz UTPCRHQRQKOQRU-SECBINFHSA-N -1 0 309.347 -0.017 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(c2ccc(C(=O)[O-])nn2)C1 ZINC000833089691 600802769 /nfs/dbraw/zinc/80/27/69/600802769.db2.gz ULMARGYKXWBAKL-MRVPVSSYSA-N -1 0 300.340 -0.320 20 0 DBADRM CN(CCCC(=O)N1CCN(CC[S@](C)=O)CC1)C(=O)[O-] ZINC000737417464 600802888 /nfs/dbraw/zinc/80/28/88/600802888.db2.gz GNYUHMSJOYIZTH-NRFANRHFSA-N -1 0 319.427 -0.101 20 0 DBADRM CN(CCCC(=O)N1CCN(CC[S@@](C)=O)CC1)C(=O)[O-] ZINC000737417465 600803007 /nfs/dbraw/zinc/80/30/07/600803007.db2.gz GNYUHMSJOYIZTH-OAQYLSRUSA-N -1 0 319.427 -0.101 20 0 DBADRM CCO[C@@H]1C[C@@H](O)C12CCN(CC(=O)NCC(=O)[O-])CC2 ZINC000737164918 600808555 /nfs/dbraw/zinc/80/85/55/600808555.db2.gz LBNBYQKWOGGDDC-GHMZBOCLSA-N -1 0 300.355 -0.561 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCC[C@H](C(=O)[O-])C1 ZINC000736206322 600843048 /nfs/dbraw/zinc/84/30/48/600843048.db2.gz DKUNPWQRLFYUNP-VWYCJHECSA-N -1 0 318.395 -0.525 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCC[C@H](C(=O)[O-])C1 ZINC000825999551 600843214 /nfs/dbraw/zinc/84/32/14/600843214.db2.gz DKUNPWQRLFYUNP-DCAQKATOSA-N -1 0 318.395 -0.525 20 0 DBADRM NC(=O)Cn1cc(C(=O)Nc2cc(C(=O)[O-])ccc2F)nn1 ZINC000833083026 600852108 /nfs/dbraw/zinc/85/21/08/600852108.db2.gz MAHHOLLWTBVXEF-UHFFFAOYSA-N -1 0 307.241 -0.147 20 0 DBADRM NC(=O)Cn1cc(C(=O)NC2(C(=O)[O-])CCCCCC2)nn1 ZINC000833082809 600854488 /nfs/dbraw/zinc/85/44/88/600854488.db2.gz HEQXGFHBCBAGRK-UHFFFAOYSA-N -1 0 309.326 -0.329 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1csc2cncn21 ZINC000833208217 600887683 /nfs/dbraw/zinc/88/76/83/600887683.db2.gz XDRMAYNYEZPCKU-SSDOTTSWSA-N -1 0 308.319 -0.189 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000390228139 600888119 /nfs/dbraw/zinc/88/81/19/600888119.db2.gz GGZQJLUBMRYIOH-ZJUUUORDSA-N -1 0 306.384 -0.067 20 0 DBADRM COC[C@@](C)(O)CNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC000831637275 600899459 /nfs/dbraw/zinc/89/94/59/600899459.db2.gz HZHPASJSVBGITR-LBPRGKRZSA-N -1 0 316.335 -0.102 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000739553829 600913852 /nfs/dbraw/zinc/91/38/52/600913852.db2.gz RVZHSKWPJMRJHQ-WDEREUQCSA-N -1 0 322.321 -0.599 20 0 DBADRM CC(C)C[C@@H](CNC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000736404717 600924851 /nfs/dbraw/zinc/92/48/51/600924851.db2.gz XROBDCMWVFEXFT-NSHDSACASA-N -1 0 320.411 -0.420 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000226740456 600943645 /nfs/dbraw/zinc/94/36/45/600943645.db2.gz LKIRWLIGIYYSLC-UWVGGRQHSA-N -1 0 306.384 -0.067 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000707472172 600946945 /nfs/dbraw/zinc/94/69/45/600946945.db2.gz AMGDBSOCHZQWGB-OPRDCNLKSA-N -1 0 304.368 -0.233 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000707472169 600946971 /nfs/dbraw/zinc/94/69/71/600946971.db2.gz AMGDBSOCHZQWGB-LPEHRKFASA-N -1 0 304.368 -0.233 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCO[C@@H](COC)C1)C(=O)[O-] ZINC000736887958 600969375 /nfs/dbraw/zinc/96/93/75/600969375.db2.gz SYAYVJPTDTVBDX-LOWVWBTDSA-N -1 0 302.371 -0.051 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000831000820 600972646 /nfs/dbraw/zinc/97/26/46/600972646.db2.gz NANSZVNJMAQDGO-RKDXNWHRSA-N -1 0 309.326 -0.146 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC000827767772 600974386 /nfs/dbraw/zinc/97/43/86/600974386.db2.gz KLHRZZMXTRDADQ-VXNVDRBHSA-N -1 0 301.324 -0.739 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC000827767770 600974452 /nfs/dbraw/zinc/97/44/52/600974452.db2.gz KLHRZZMXTRDADQ-IONNQARKSA-N -1 0 301.324 -0.739 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cnn(C(C)C)c1)C(=O)[O-] ZINC000737592435 600981294 /nfs/dbraw/zinc/98/12/94/600981294.db2.gz QGGNFZXWTMXRMY-SECBINFHSA-N -1 0 319.339 -0.241 20 0 DBADRM NC(=O)NC(=O)CCn1nnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000739168881 600989530 /nfs/dbraw/zinc/98/95/30/600989530.db2.gz VTXWSWZDTCXKNO-UHFFFAOYSA-N -1 0 304.266 -0.377 20 0 DBADRM CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000088768355 600991605 /nfs/dbraw/zinc/99/16/05/600991605.db2.gz PNOPSLIMUGLMTE-SECBINFHSA-N -1 0 307.372 -0.810 20 0 DBADRM CCCN(CC(=O)OCC)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000088771737 600994317 /nfs/dbraw/zinc/99/43/17/600994317.db2.gz PXLOSYPGTYPPOB-UHFFFAOYSA-N -1 0 310.372 -0.087 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCNC(=O)[C@H]1c1cccs1 ZINC000833250524 601035817 /nfs/dbraw/zinc/03/58/17/601035817.db2.gz JODMTOSSFSTSPD-GFCCVEGCSA-N -1 0 311.363 -0.188 20 0 DBADRM Cn1nc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1C1CC1 ZINC000739049798 601055006 /nfs/dbraw/zinc/05/50/06/601055006.db2.gz HRLMNGVMROHNKC-LLVKDONJSA-N -1 0 306.322 -0.287 20 0 DBADRM CN(C(=O)Nc1ccn(CC(=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 ZINC000830507839 601059013 /nfs/dbraw/zinc/05/90/13/601059013.db2.gz QMSSLUYHXBOPSL-QMMMGPOBSA-N -1 0 316.339 -0.382 20 0 DBADRM CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC000830978607 601060191 /nfs/dbraw/zinc/06/01/91/601060191.db2.gz FLCNBZULNGKOBX-SECBINFHSA-N -1 0 309.326 -0.042 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCCS(=O)(=O)CC2)n1 ZINC000833275482 601062551 /nfs/dbraw/zinc/06/25/51/601062551.db2.gz IZWSZJJVFRZAKT-UHFFFAOYSA-N -1 0 316.339 -0.380 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NCCCN2C(=O)CNC2=O)n1 ZINC000833276701 601068346 /nfs/dbraw/zinc/06/83/46/601068346.db2.gz VEEAMSFXSIZALT-UHFFFAOYSA-N -1 0 324.297 -0.969 20 0 DBADRM C[C@H](OC(=O)[C@]12CCC(=O)N1CCS2)C(=O)NCC(=O)[O-] ZINC000827816541 601074548 /nfs/dbraw/zinc/07/45/48/601074548.db2.gz ADMOFTKRBYJCJF-JVXZTZIISA-N -1 0 316.335 -0.816 20 0 DBADRM CC(C)c1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n(C)n1 ZINC000827101783 601080443 /nfs/dbraw/zinc/08/04/43/601080443.db2.gz GBCZLYGWWSRZLM-SNVBAGLBSA-N -1 0 308.338 -0.041 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000829541477 601085354 /nfs/dbraw/zinc/08/53/54/601085354.db2.gz OSFWGSLROKDLHY-LLVKDONJSA-N -1 0 320.411 -0.181 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000827361434 601085561 /nfs/dbraw/zinc/08/55/61/601085561.db2.gz AGRRXGCQABXCFL-LLVKDONJSA-N -1 0 320.411 -0.183 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)C(C)(C)S(C)(=O)=O)CC1 ZINC000827356893 601091917 /nfs/dbraw/zinc/09/19/17/601091917.db2.gz UONPMNSOLCRLAZ-SNVBAGLBSA-N -1 0 320.411 -0.183 20 0 DBADRM NS(=O)(=O)CCCOC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000833089026 601116416 /nfs/dbraw/zinc/11/64/16/601116416.db2.gz WWDJYGMHJHOJSV-UHFFFAOYSA-N -1 0 317.319 -0.015 20 0 DBADRM O=C([O-])CCc1nnc(NC(=O)N2CCO[C@H](CO)C2)s1 ZINC000833241281 601131952 /nfs/dbraw/zinc/13/19/52/601131952.db2.gz DUWKENISQUPFAJ-ZETCQYMHSA-N -1 0 316.339 -0.220 20 0 DBADRM CCN(C/C=C(/C)C(=O)[O-])CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000829692906 601154050 /nfs/dbraw/zinc/15/40/50/601154050.db2.gz QPIZRSRUTJGBKI-NEOSZVFXSA-N -1 0 318.395 -0.358 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCC(NC(N)=O)CC1)C(=O)[O-] ZINC000828718131 601154346 /nfs/dbraw/zinc/15/43/46/601154346.db2.gz LNBAFHLVHWKXJV-CABZTGNLSA-N -1 0 314.386 -0.265 20 0 DBADRM Cn1cc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000833046548 601159265 /nfs/dbraw/zinc/15/92/65/601159265.db2.gz YGQHEIKIVWAKIC-IUCAKERBSA-N -1 0 309.322 -0.087 20 0 DBADRM Cn1cc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000833046547 601159291 /nfs/dbraw/zinc/15/92/91/601159291.db2.gz YGQHEIKIVWAKIC-DTWKUNHWSA-N -1 0 309.322 -0.087 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCN(C2CC2)C(=O)C1)C(=O)[O-] ZINC000826786464 601181218 /nfs/dbraw/zinc/18/12/18/601181218.db2.gz NPYQZEPZWDTFGH-GFCCVEGCSA-N -1 0 311.382 -0.092 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)n1 ZINC000833274127 601185144 /nfs/dbraw/zinc/18/51/44/601185144.db2.gz QZNDJBIFTIDTCU-QMMMGPOBSA-N -1 0 318.293 -0.318 20 0 DBADRM CN(C)[C@@H](CNC(=O)Cn1cc(C(=O)[O-])nn1)c1ccco1 ZINC000830581460 601194892 /nfs/dbraw/zinc/19/48/92/601194892.db2.gz OIFSZOKDIANONR-JTQLQIEISA-N -1 0 307.310 -0.012 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCNC(=O)c2ccccc2)nn1 ZINC000833120527 601195681 /nfs/dbraw/zinc/19/56/81/601195681.db2.gz BBVKUXBVQLSXRB-UHFFFAOYSA-N -1 0 317.305 -0.478 20 0 DBADRM NC(=O)c1cccc(CCNC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000833087042 601199862 /nfs/dbraw/zinc/19/98/62/601199862.db2.gz YHLTZZXZPFAEFN-UHFFFAOYSA-N -1 0 317.305 -0.566 20 0 DBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@@H](C)C(N)=O ZINC000831930308 601211850 /nfs/dbraw/zinc/21/18/50/601211850.db2.gz XDMQGJBFRULYOS-BYPYZUCNSA-N -1 0 308.337 -0.393 20 0 DBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@@H](C)CC(N)=O ZINC000831929968 601216925 /nfs/dbraw/zinc/21/69/25/601216925.db2.gz SXDOBPRAAQNZSQ-YFKPBYRVSA-N -1 0 322.364 -0.003 20 0 DBADRM Cc1oc(S(=O)(=O)N[C@@H]2CCN(C)C2=O)cc1C(=O)[O-] ZINC000833029058 601223159 /nfs/dbraw/zinc/22/31/59/601223159.db2.gz YIDKMNVSUQRXGM-MRVPVSSYSA-N -1 0 302.308 -0.205 20 0 DBADRM O=C([O-])c1ccc(NC(=O)CS(=O)(=O)C[C@@H](O)CO)cc1 ZINC000833114983 601228258 /nfs/dbraw/zinc/22/82/58/601228258.db2.gz RBFRLIQEYSOSDD-JTQLQIEISA-N -1 0 317.319 -0.909 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])on1 ZINC000832884993 601229482 /nfs/dbraw/zinc/22/94/82/601229482.db2.gz HAMAGFXDWXNEMV-VIFPVBQESA-N -1 0 317.323 -0.912 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000821543211 601244470 /nfs/dbraw/zinc/24/44/70/601244470.db2.gz FENBBSCDHJUEOX-SNVBAGLBSA-N -1 0 303.274 -0.239 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000831175406 601246031 /nfs/dbraw/zinc/24/60/31/601246031.db2.gz MYZKLZOKCMUJQN-UHFFFAOYSA-N -1 0 310.262 -0.432 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccnc(C(=O)OC)c1 ZINC000831170229 601245864 /nfs/dbraw/zinc/24/58/64/601245864.db2.gz JVVVLSOMHYXHPJ-UHFFFAOYSA-N -1 0 310.262 -0.432 20 0 DBADRM CN(C)c1ccc(CNS(=O)(=O)N(C)CCC(=O)[O-])cn1 ZINC000830639852 601254473 /nfs/dbraw/zinc/25/44/73/601254473.db2.gz QZSBWLMXMIJZTH-UHFFFAOYSA-N -1 0 316.383 -0.112 20 0 DBADRM C[C@@H](CN1CCCC1=O)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000088769239 601255479 /nfs/dbraw/zinc/25/54/79/601255479.db2.gz ZOUPVRODEKQJAC-VIFPVBQESA-N -1 0 307.372 -0.762 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)[C@@H]2CCOC2)CC1 ZINC000827384927 601257749 /nfs/dbraw/zinc/25/77/49/601257749.db2.gz AHLUWBYHDCDBFQ-GHMZBOCLSA-N -1 0 306.384 -0.414 20 0 DBADRM CC(C)N1C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])CC1=O ZINC000826961588 601258313 /nfs/dbraw/zinc/25/83/13/601258313.db2.gz ULGCRDWBKFWFCW-SECBINFHSA-N -1 0 307.372 -0.763 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC(C2OCCO2)CC1 ZINC000830734714 601258416 /nfs/dbraw/zinc/25/84/16/601258416.db2.gz HXSNOUHMPJINQU-UHFFFAOYSA-N -1 0 322.383 -0.277 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CCCC(=O)[O-])C[C@H]1N1CCOCC1 ZINC000828470670 601258652 /nfs/dbraw/zinc/25/86/52/601258652.db2.gz IGGDIRQGAZLZPX-NWDGAFQWSA-N -1 0 320.411 -0.167 20 0 DBADRM CNC(=O)C1(NS(=O)(=O)N(C)CCC(=O)[O-])CCCC1 ZINC000830978411 601258635 /nfs/dbraw/zinc/25/86/35/601258635.db2.gz ADMIPIWSARSWGS-UHFFFAOYSA-N -1 0 307.372 -0.714 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1cn2c(n1)CCCC2 ZINC000830751725 601258785 /nfs/dbraw/zinc/25/87/85/601258785.db2.gz BTUOSAMKVPQHIQ-UHFFFAOYSA-N -1 0 316.383 -0.040 20 0 DBADRM CCOCCS(=O)(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000830017019 601259164 /nfs/dbraw/zinc/25/91/64/601259164.db2.gz HGMDEYCDCIJABE-LLVKDONJSA-N -1 0 308.400 -0.167 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2cn(C)cn2)CC1 ZINC000827386956 601259212 /nfs/dbraw/zinc/25/92/12/601259212.db2.gz ZSNGZAKKQVNQJZ-SNVBAGLBSA-N -1 0 316.383 -0.410 20 0 DBADRM Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000833006120 601259823 /nfs/dbraw/zinc/25/98/23/601259823.db2.gz BQSHEPYHYRQMIA-SECBINFHSA-N -1 0 317.371 -0.338 20 0 DBADRM CO[C@H](CNS(=O)(=O)N(C)CCC(=O)[O-])C(F)(F)F ZINC000831519755 601261839 /nfs/dbraw/zinc/26/18/39/601261839.db2.gz RHZHSLGHWVWEQZ-ZCFIWIBFSA-N -1 0 308.278 -0.195 20 0 DBADRM O=C([O-])CC1(NS(=O)(=O)C[C@@H]2CCOC2)CCOCC1 ZINC000833205628 601270268 /nfs/dbraw/zinc/27/02/68/601270268.db2.gz JGFOTVFQNLOLNH-SNVBAGLBSA-N -1 0 307.368 -0.034 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccnc(C(=O)OC)c1)C(=O)[O-] ZINC000831133578 601272007 /nfs/dbraw/zinc/27/20/07/601272007.db2.gz GQJRXBNLTXEKAL-QMMMGPOBSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)ccn1 ZINC000831235632 601272327 /nfs/dbraw/zinc/27/23/27/601272327.db2.gz ARKCNATUJNCUTR-VIFPVBQESA-N -1 0 310.262 -0.386 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H](C(N)=O)c1ccccc1)C(=O)[O-] ZINC000827545445 601273587 /nfs/dbraw/zinc/27/35/87/601273587.db2.gz AGPJVZSXRBSDIR-PSASIEDQSA-N -1 0 300.336 -0.147 20 0 DBADRM O=C([O-])c1cn(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)nn1 ZINC000833121516 601273716 /nfs/dbraw/zinc/27/37/16/601273716.db2.gz HFWZQGVTTHMMAG-UHFFFAOYSA-N -1 0 314.265 -0.205 20 0 DBADRM NC(=O)COc1cccc(NC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000833080802 601273761 /nfs/dbraw/zinc/27/37/61/601273761.db2.gz CSXLELNCBUBJJY-UHFFFAOYSA-N -1 0 319.277 -0.521 20 0 DBADRM CN(Cc1cccc(C(N)=O)c1)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000830845168 601277815 /nfs/dbraw/zinc/27/78/15/601277815.db2.gz QSXXHQNKCMMALL-UHFFFAOYSA-N -1 0 317.305 -0.266 20 0 DBADRM CC1(C)CN(CCNC(=O)Cn2cc(C(=O)[O-])nn2)CCO1 ZINC000828074950 601280099 /nfs/dbraw/zinc/28/00/99/601280099.db2.gz VOXBXDACVPFIIW-UHFFFAOYSA-N -1 0 311.342 -0.797 20 0 DBADRM CCc1nnc2n1C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)CC2 ZINC000830338795 601280112 /nfs/dbraw/zinc/28/01/12/601280112.db2.gz ANYFEJJFYLGTFS-QMMMGPOBSA-N -1 0 319.325 -0.739 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000831204572 601280633 /nfs/dbraw/zinc/28/06/33/601280633.db2.gz XJVBWHQNFSGFHS-QMMMGPOBSA-N -1 0 311.298 -0.677 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)CC2 ZINC000833006132 601281351 /nfs/dbraw/zinc/28/13/51/601281351.db2.gz BTAQIEZXSPXHSO-QMMMGPOBSA-N -1 0 305.298 -0.993 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000769459869 601284966 /nfs/dbraw/zinc/28/49/66/601284966.db2.gz SADCHTFIBZIHBK-VIFPVBQESA-N -1 0 310.310 -0.678 20 0 DBADRM C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)N1CCCC[C@H]1C ZINC000827635664 601285463 /nfs/dbraw/zinc/28/54/63/601285463.db2.gz GVVWVKKJSZYNAH-ZJUUUORDSA-N -1 0 323.353 -0.118 20 0 DBADRM C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)N1CCCC[C@H]1C ZINC000827635661 601285593 /nfs/dbraw/zinc/28/55/93/601285593.db2.gz GVVWVKKJSZYNAH-NXEZZACHSA-N -1 0 323.353 -0.118 20 0 DBADRM COC(=O)[C@H]1CC12CCN(C(=O)Cn1cc(C(=O)[O-])nn1)CC2 ZINC000831099007 601286302 /nfs/dbraw/zinc/28/63/02/601286302.db2.gz CAGUNATUCNIUTE-SECBINFHSA-N -1 0 322.321 -0.222 20 0 DBADRM COCCN1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@@H]1C ZINC000831744052 601287337 /nfs/dbraw/zinc/28/73/37/601287337.db2.gz FEBZXIAEEVCJEM-JTQLQIEISA-N -1 0 311.342 -0.845 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H](Cn3cncn3)C2)nn1 ZINC000833340319 601288570 /nfs/dbraw/zinc/28/85/70/601288570.db2.gz RBHVGYMAKITNFX-SNVBAGLBSA-N -1 0 319.325 -0.493 20 0 DBADRM C[C@H](CNC(=O)Cn1cc(C(=O)[O-])nn1)CN1CCOCC1 ZINC000827470649 601288916 /nfs/dbraw/zinc/28/89/16/601288916.db2.gz YKVTVLWOOORVLM-SNVBAGLBSA-N -1 0 311.342 -0.939 20 0 DBADRM CC(C)(CCS(C)(=O)=O)NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000826547070 601290951 /nfs/dbraw/zinc/29/09/51/601290951.db2.gz RCLQNEOHIDWCET-UHFFFAOYSA-N -1 0 318.355 -0.694 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CC1SC(=N)NC1=O ZINC000831549360 601293097 /nfs/dbraw/zinc/29/30/97/601293097.db2.gz WXNRYSVQVYQSQM-UPONEAKYSA-N -1 0 303.340 -0.461 20 0 DBADRM CCC(CC)(CC(=O)[O-])NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000262108474 601306485 /nfs/dbraw/zinc/30/64/85/601306485.db2.gz NVQQZUZYOFWINO-UHFFFAOYSA-N -1 0 311.338 -0.303 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC000818368932 601312395 /nfs/dbraw/zinc/31/23/95/601312395.db2.gz QDUVBJHSMDTOHX-MRVPVSSYSA-N -1 0 310.314 -0.695 20 0 DBADRM Cn1cc(NC(=O)Cn2ccc(=O)n(C)c2=O)cc1C(=O)[O-] ZINC000833046680 601316085 /nfs/dbraw/zinc/31/60/85/601316085.db2.gz CHTVMXUSKHKSAY-UHFFFAOYSA-N -1 0 306.278 -0.778 20 0 DBADRM O=C([O-])CC1(NC(=O)CCN2C(=O)CCC2=O)CCOCC1 ZINC000833202812 601326902 /nfs/dbraw/zinc/32/69/02/601326902.db2.gz RMSHIEDDCNYYKB-UHFFFAOYSA-N -1 0 312.322 -0.334 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000831025722 601341473 /nfs/dbraw/zinc/34/14/73/601341473.db2.gz WENFZEGKVOYDGA-NSHDSACASA-N -1 0 316.335 -0.514 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)c1=O ZINC000833037574 601342005 /nfs/dbraw/zinc/34/20/05/601342005.db2.gz HCOGXHIEDHWRRT-VIFPVBQESA-N -1 0 304.262 -0.563 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1=O ZINC000833037726 601342238 /nfs/dbraw/zinc/34/22/38/601342238.db2.gz QAOPBWFFULGKAU-VIFPVBQESA-N -1 0 307.306 -0.187 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC000831800007 601345963 /nfs/dbraw/zinc/34/59/63/601345963.db2.gz DFIIXYBDVCPGJT-SNVBAGLBSA-N -1 0 324.337 -0.209 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC000831800006 601345969 /nfs/dbraw/zinc/34/59/69/601345969.db2.gz DFIIXYBDVCPGJT-JTQLQIEISA-N -1 0 324.337 -0.209 20 0 DBADRM Cc1sc(NC(=O)C(=O)NC(CO)CO)c(C(=O)[O-])c1C ZINC000833035580 601346857 /nfs/dbraw/zinc/34/68/57/601346857.db2.gz NEYIJVBVUYFURU-UHFFFAOYSA-N -1 0 316.335 -0.529 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)Cn1ccnc1S(C)(=O)=O)C(=O)[O-] ZINC000828728106 601347114 /nfs/dbraw/zinc/34/71/14/601347114.db2.gz HKVDTYYUGHZSJE-WCBMZHEXSA-N -1 0 317.367 -0.098 20 0 DBADRM CC(C)C[C@H](NC(=O)Cn1ccnc1S(C)(=O)=O)C(=O)[O-] ZINC000826793601 601347178 /nfs/dbraw/zinc/34/71/78/601347178.db2.gz QAIGIIOALYWVCG-VIFPVBQESA-N -1 0 317.367 -0.098 20 0 DBADRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)N[C@H]2CCCNC2=O)c1 ZINC000833151748 601349288 /nfs/dbraw/zinc/34/92/88/601349288.db2.gz PSAXQALCSYKPLN-VIFPVBQESA-N -1 0 323.280 -0.143 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1=O ZINC000830912836 601350094 /nfs/dbraw/zinc/35/00/94/601350094.db2.gz CRIUUTSOHNUHNR-LLVKDONJSA-N -1 0 319.317 -0.401 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)cc1C(=O)[O-] ZINC000832938797 601350692 /nfs/dbraw/zinc/35/06/92/601350692.db2.gz AKPWQPGITZSGJG-SNVBAGLBSA-N -1 0 319.317 -0.021 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CC1=O ZINC000830913396 601351039 /nfs/dbraw/zinc/35/10/39/601351039.db2.gz OQXLFNLQRADGFK-SNVBAGLBSA-N -1 0 305.290 -0.330 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000820088848 601365834 /nfs/dbraw/zinc/36/58/34/601365834.db2.gz HTDOIGNYELWNAM-LURJTMIESA-N -1 0 311.269 -0.158 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000827398230 601366195 /nfs/dbraw/zinc/36/61/95/601366195.db2.gz UQRMSQHOTFZKME-ZCFIWIBFSA-N -1 0 311.269 -0.158 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000827398199 601366244 /nfs/dbraw/zinc/36/62/44/601366244.db2.gz TVZDJRXFOAQFNA-QMMMGPOBSA-N -1 0 323.305 -0.531 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=S)NCCN2CCOCC2)C1 ZINC000833174152 601367819 /nfs/dbraw/zinc/36/78/19/601367819.db2.gz BODJSPXYMGOFSQ-GFCCVEGCSA-N -1 0 305.375 -0.308 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CC[C@](F)(C(=O)[O-])C2)C1=O ZINC000831660667 601371593 /nfs/dbraw/zinc/37/15/93/601371593.db2.gz NMYVVRBKRVUNNO-NWDGAFQWSA-N -1 0 303.290 -0.601 20 0 DBADRM Nc1cccc2c1C(=O)N(CN1CCO[C@H](CC(=O)[O-])C1)C2=O ZINC000833091831 601377075 /nfs/dbraw/zinc/37/70/75/601377075.db2.gz WZDQFNLXAWOLIO-SECBINFHSA-N -1 0 319.317 -0.002 20 0 DBADRM CO[C@@H](C)c1noc(CN(C)[C@@H](C)C(=O)NCC(=O)[O-])n1 ZINC000831505931 601380340 /nfs/dbraw/zinc/38/03/40/601380340.db2.gz WASRGUDKWZQBOT-YUMQZZPRSA-N -1 0 300.315 -0.202 20 0 DBADRM CO[C@@H](C)c1noc(CN(C)[C@H](C)C(=O)NCC(=O)[O-])n1 ZINC000831505930 601380630 /nfs/dbraw/zinc/38/06/30/601380630.db2.gz WASRGUDKWZQBOT-SFYZADRCSA-N -1 0 300.315 -0.202 20 0 DBADRM NC(=O)c1cc(Cl)nnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC000833084352 601381978 /nfs/dbraw/zinc/38/19/78/601381978.db2.gz DWPMYLJWNTXRRA-LURJTMIESA-N -1 0 300.702 -0.091 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1C(N)=O ZINC000833053823 601391893 /nfs/dbraw/zinc/39/18/93/601391893.db2.gz SOFDGTQZYHLCGZ-LLVKDONJSA-N -1 0 319.314 -0.689 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1C(N)=O ZINC000833053824 601392015 /nfs/dbraw/zinc/39/20/15/601392015.db2.gz SOFDGTQZYHLCGZ-NSHDSACASA-N -1 0 319.314 -0.689 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc(C(N)=O)o1 ZINC000830752060 601394241 /nfs/dbraw/zinc/39/42/41/601394241.db2.gz OLPGCSZAYSXJJX-UHFFFAOYSA-N -1 0 305.312 -0.881 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CC(=O)N(C3CC3)C2)c[nH]1 ZINC000833303084 601395548 /nfs/dbraw/zinc/39/55/48/601395548.db2.gz HLDQNVCGLQMOEE-ZETCQYMHSA-N -1 0 313.335 -0.246 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c[nH]1 ZINC000833303083 601395669 /nfs/dbraw/zinc/39/56/69/601395669.db2.gz HLDQNVCGLQMOEE-SSDOTTSWSA-N -1 0 313.335 -0.246 20 0 DBADRM C/C(=C/COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000825758847 601413166 /nfs/dbraw/zinc/41/31/66/601413166.db2.gz RDLSDVCDFOPGJI-WXOLFVLTSA-N -1 0 308.290 -0.329 20 0 DBADRM O=C([O-])/C=C1/SCC(=O)N1CCCN1CCO[C@@H](CO)C1 ZINC000833196449 601426517 /nfs/dbraw/zinc/42/65/17/601426517.db2.gz ULJCUZZTQMEKKI-HAAVITCDSA-N -1 0 316.379 -0.429 20 0 DBADRM O=C([O-])c1ccc(OC[C@@H](O)CN2CCO[C@@H](CO)C2)cc1 ZINC000833322172 601427147 /nfs/dbraw/zinc/42/71/47/601427147.db2.gz YAUQFLAVCINISV-GXTWGEPZSA-N -1 0 311.334 -0.182 20 0 DBADRM O=C([O-])[C@]1(F)CCN(CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000833104925 601437145 /nfs/dbraw/zinc/43/71/45/601437145.db2.gz GAQIUEVGLQYTAL-VIFPVBQESA-N -1 0 315.223 -0.127 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CC[C@](F)(C(=O)[O-])C2)CC1 ZINC000825842018 601441482 /nfs/dbraw/zinc/44/14/82/601441482.db2.gz YPQXGQCWKCOMJV-CYBMUJFWSA-N -1 0 301.318 -0.824 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000825972153 601442264 /nfs/dbraw/zinc/44/22/64/601442264.db2.gz LMSNTVFIWSFOGN-YMTOWFKASA-N -1 0 315.345 -0.390 20 0 DBADRM COCCCS(=O)(=O)N1CCN(CCCC(=O)[O-])CC1 ZINC000820718836 601443856 /nfs/dbraw/zinc/44/38/56/601443856.db2.gz FMQZIHCQTWPIER-UHFFFAOYSA-N -1 0 308.400 -0.165 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCO[C@H](CO)C2)cccc1C(=O)[O-] ZINC000832855034 601456045 /nfs/dbraw/zinc/45/60/45/601456045.db2.gz KVRHYUDHJVQSLA-JTQLQIEISA-N -1 0 322.317 -0.149 20 0 DBADRM O=C([O-])C[C@@H]1CN([C@@H]2CCN(C3CCOCC3)C2=O)CCO1 ZINC000833221983 601456932 /nfs/dbraw/zinc/45/69/32/601456932.db2.gz OPSVXIKCTMFZAT-CHWSQXEVSA-N -1 0 312.366 -0.058 20 0 DBADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000767051551 601458715 /nfs/dbraw/zinc/45/87/15/601458715.db2.gz NDVOHEDXOIDODD-LQYUOIDQSA-N -1 0 323.349 -0.143 20 0 DBADRM CCCNC(=O)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818176324 601467101 /nfs/dbraw/zinc/46/71/01/601467101.db2.gz JXCVPNHZGPDSFU-UHFFFAOYSA-N -1 0 321.333 -0.105 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818213424 601467218 /nfs/dbraw/zinc/46/72/18/601467218.db2.gz FFVOJJONBNMBDP-SECBINFHSA-N -1 0 321.333 -0.107 20 0 DBADRM CC[C@](C)(CC(=O)[O-])NC(=S)NCCNS(C)(=O)=O ZINC000828652751 601472642 /nfs/dbraw/zinc/47/26/42/601472642.db2.gz RMYRPHOSOJOUBM-SNVBAGLBSA-N -1 0 311.429 -0.357 20 0 DBADRM COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818530657 601473183 /nfs/dbraw/zinc/47/31/83/601473183.db2.gz RCNIAXSSELVKGA-HNNXBMFYSA-N -1 0 324.333 -0.234 20 0 DBADRM CC(C)OCCS(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000093665621 601475764 /nfs/dbraw/zinc/47/57/64/601475764.db2.gz LRMUOEXRZMHNSE-SECBINFHSA-N -1 0 308.356 -0.984 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)n(C)n1 ZINC000830224752 601482012 /nfs/dbraw/zinc/48/20/12/601482012.db2.gz UYFHOVABLDPAGR-ZDUSSCGKSA-N -1 0 312.301 -0.054 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)cc1 ZINC000833286977 601483433 /nfs/dbraw/zinc/48/34/33/601483433.db2.gz ZLAFLULSTCPCOL-PHIMTYICSA-N -1 0 323.305 -0.331 20 0 DBADRM O=C([O-])C[C@H]1CN(C[C@H](O)COC2CCOCC2)CCO1 ZINC000833221656 601484374 /nfs/dbraw/zinc/48/43/74/601484374.db2.gz MCXUXYFZOKPZCX-AAEUAGOBSA-N -1 0 303.355 -0.282 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1=O ZINC000818478152 601488778 /nfs/dbraw/zinc/48/87/78/601488778.db2.gz DLHZCYDZONXJGV-JTQLQIEISA-N -1 0 319.317 -0.401 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)n(C)n1 ZINC000832892165 601491968 /nfs/dbraw/zinc/49/19/68/601491968.db2.gz GRRNALKYQFTDTB-VIFPVBQESA-N -1 0 310.310 -0.631 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccccc1CC(=O)[O-])C(=O)N(C)C ZINC000818669958 601496521 /nfs/dbraw/zinc/49/65/21/601496521.db2.gz NTMGUFDQFRGYJN-SECBINFHSA-N -1 0 321.333 -0.155 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000831001084 601496814 /nfs/dbraw/zinc/49/68/14/601496814.db2.gz UURSLFWARZUKAE-MRVPVSSYSA-N -1 0 307.306 -0.118 20 0 DBADRM CC(C)[C@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000817965280 601497728 /nfs/dbraw/zinc/49/77/28/601497728.db2.gz CBRMQKUAKNRQCW-ONGXEEELSA-N -1 0 306.384 -0.669 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000833202725 601505162 /nfs/dbraw/zinc/50/51/62/601505162.db2.gz PBCXTUQJHQJEPB-MRVPVSSYSA-N -1 0 311.381 -0.652 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N[C@@H]2CCCCNC2=O)CC1 ZINC000833202896 601508053 /nfs/dbraw/zinc/50/80/53/601508053.db2.gz SJHQBEJRNJEEKG-SECBINFHSA-N -1 0 304.368 -0.171 20 0 DBADRM CN1CCO[C@@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000830965731 601511647 /nfs/dbraw/zinc/51/16/47/601511647.db2.gz VRHNWNXMUWJPOY-JTQLQIEISA-N -1 0 306.384 -0.509 20 0 DBADRM CC[C@H]1C(=O)NCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000829076039 601514443 /nfs/dbraw/zinc/51/44/43/601514443.db2.gz ZKGVEBWDSDMGSJ-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000833202190 601520810 /nfs/dbraw/zinc/52/08/10/601520810.db2.gz UXNAZFMZHIAMGZ-UHFFFAOYSA-N -1 0 316.379 -0.122 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000833201250 601521630 /nfs/dbraw/zinc/52/16/30/601521630.db2.gz AUZHNAQRPQAGTC-SECBINFHSA-N -1 0 317.367 -0.720 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)C1CC1 ZINC000833198093 601535737 /nfs/dbraw/zinc/53/57/37/601535737.db2.gz WQXZCBPJEPUCIN-SNVBAGLBSA-N -1 0 304.368 -0.914 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)Cn1nnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000828728097 601546225 /nfs/dbraw/zinc/54/62/25/601546225.db2.gz HGYRAMKTANJYAR-OIBJUYFYSA-N -1 0 322.325 -0.860 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1nnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000828728099 601546348 /nfs/dbraw/zinc/54/63/48/601546348.db2.gz HGYRAMKTANJYAR-XVKPBYJWSA-N -1 0 322.325 -0.860 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000833250327 601550646 /nfs/dbraw/zinc/55/06/46/601550646.db2.gz HGAPHOCFEBLMLF-WDEREUQCSA-N -1 0 318.395 -0.381 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000833236235 601550836 /nfs/dbraw/zinc/55/08/36/601550836.db2.gz ABXITXDSQXKHOH-QWRGUYRKSA-N -1 0 318.395 -0.381 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1 ZINC000833085547 601556418 /nfs/dbraw/zinc/55/64/18/601556418.db2.gz SPURBSXETYZBEX-JTQLQIEISA-N -1 0 322.321 -0.434 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000818013702 601556727 /nfs/dbraw/zinc/55/67/27/601556727.db2.gz KKNPCGORUWPAGE-GMTAPVOTSA-N -1 0 302.327 -0.325 20 0 DBADRM O=C([O-])[C@H]1COCCN1CC(=O)NCC(=O)c1ccccc1 ZINC000833107564 601558682 /nfs/dbraw/zinc/55/86/82/601558682.db2.gz FSTUPUSRSXKSMF-GFCCVEGCSA-N -1 0 306.318 -0.229 20 0 DBADRM O=C(CN1CCOC[C@H]1C(=O)[O-])NCC(=O)c1cccs1 ZINC000833108317 601559139 /nfs/dbraw/zinc/55/91/39/601559139.db2.gz NVUWYTPRRMABKH-VIFPVBQESA-N -1 0 312.347 -0.168 20 0 DBADRM Cn1ncc2c1nnn(CN1CCCC[C@@H]1CC(=O)[O-])c2=O ZINC000833061717 601559215 /nfs/dbraw/zinc/55/92/15/601559215.db2.gz GRAAPGFLTUNBRB-SECBINFHSA-N -1 0 306.326 -0.188 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)SC(C)(C)C1=O ZINC000831170627 601559702 /nfs/dbraw/zinc/55/97/02/601559702.db2.gz SNIOSBULIMRVMM-UHFFFAOYSA-N -1 0 304.324 -0.023 20 0 DBADRM Cn1ncc2c1nnn(CN1CCSC[C@@H]1CC(=O)[O-])c2=O ZINC000833062960 601559958 /nfs/dbraw/zinc/55/99/58/601559958.db2.gz SUAGWRSGIZXUPB-QMMMGPOBSA-N -1 0 324.366 -0.625 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000137175546 601562860 /nfs/dbraw/zinc/56/28/60/601562860.db2.gz KWTMWPADQUNVRU-SECBINFHSA-N -1 0 315.351 -0.344 20 0 DBADRM CN(CC(=O)N[C@@H](CC(=O)[O-])C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000830669895 601563547 /nfs/dbraw/zinc/56/35/47/601563547.db2.gz QXUHYHKFBOBJIM-QWRGUYRKSA-N -1 0 318.395 -0.525 20 0 DBADRM NC(=O)c1ccc(CNS(=O)(=O)CCCC(=O)[O-])cn1 ZINC000833085437 601564493 /nfs/dbraw/zinc/56/44/93/601564493.db2.gz OWGMBKIYTSVOBF-UHFFFAOYSA-N -1 0 301.324 -0.535 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCNC(=O)C2)cc(F)c1F ZINC000273741348 601567011 /nfs/dbraw/zinc/56/70/11/601567011.db2.gz LVNIIWLKSKREAU-UHFFFAOYSA-N -1 0 320.273 -0.217 20 0 DBADRM CC(C)NC(=O)CN(C)S(=O)(=O)c1csnc1C(=O)[O-] ZINC000826971156 601567812 /nfs/dbraw/zinc/56/78/12/601567812.db2.gz FQYZEDFQKXCYQL-UHFFFAOYSA-N -1 0 321.380 -0.014 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN2C(=O)NC[C@H]2C1 ZINC000825977642 601579010 /nfs/dbraw/zinc/57/90/10/601579010.db2.gz LIPSQYPNEXILKF-PWSUYJOCSA-N -1 0 324.381 -0.593 20 0 DBADRM Cc1nc2n(n1)CCN(S(=O)(=O)CC1(CC(=O)[O-])CC1)C2 ZINC000833007480 601580317 /nfs/dbraw/zinc/58/03/17/601580317.db2.gz SSLZAOSHQOSAES-UHFFFAOYSA-N -1 0 314.367 -0.013 20 0 DBADRM C[C@]1([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)NC(=O)NC1=O ZINC000828088227 601583429 /nfs/dbraw/zinc/58/34/29/601583429.db2.gz HLPUNGJZCYVIMJ-LVAGBLAWSA-N -1 0 309.322 -0.456 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000833039989 601587975 /nfs/dbraw/zinc/58/79/75/601587975.db2.gz YZVCCUFGLQXDAU-UHFFFAOYSA-N -1 0 311.327 -0.293 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)c1cnn(C)c1N)C(=O)[O-] ZINC000828727772 601589922 /nfs/dbraw/zinc/58/99/22/601589922.db2.gz FGSULQXBHNYEPX-XCBNKYQSSA-N -1 0 312.326 -0.225 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](C(=O)[O-])C2CC2)C1=O ZINC000828082329 601593117 /nfs/dbraw/zinc/59/31/17/601593117.db2.gz NVAJAXVOEQSKFR-QMTHXVAHSA-N -1 0 309.322 -0.314 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1cnc2sccn2c1=O ZINC000088375224 601606605 /nfs/dbraw/zinc/60/66/05/601606605.db2.gz XYZGQAKPVMQRCM-MRVPVSSYSA-N -1 0 309.303 -0.318 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H](C)C(=O)[O-] ZINC000820149483 601610546 /nfs/dbraw/zinc/61/05/46/601610546.db2.gz XEXSPYJQSAEIPD-RQJHMYQMSA-N -1 0 305.312 -0.897 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccn(CC(F)F)n1)C(=O)[O-] ZINC000827466877 601629739 /nfs/dbraw/zinc/62/97/39/601629739.db2.gz VUQSEAGZAOFFGY-ZCFIWIBFSA-N -1 0 304.253 -0.076 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000831807611 601629826 /nfs/dbraw/zinc/62/98/26/601629826.db2.gz QYBQDXUTPRERRE-JTQLQIEISA-N -1 0 324.337 -0.209 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1=O ZINC000833056361 601630170 /nfs/dbraw/zinc/63/01/70/601630170.db2.gz PBFNTXUCBGNZPQ-SECBINFHSA-N -1 0 307.306 -0.353 20 0 DBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H](C(=O)[O-])C1CC1 ZINC000054502986 601630417 /nfs/dbraw/zinc/63/04/17/601630417.db2.gz GRXMYLSIGOKOMF-PSASIEDQSA-N -1 0 307.393 -0.114 20 0 DBADRM C[C@H]1CN(C(=O)NCCC(=O)N2CCOCC2)C[C@H]1C(=O)[O-] ZINC000317953844 601649467 /nfs/dbraw/zinc/64/94/67/601649467.db2.gz HKJRFCJTPDMKEE-WDEREUQCSA-N -1 0 313.354 -0.403 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000390317785 601660007 /nfs/dbraw/zinc/66/00/07/601660007.db2.gz HTMOYKOXHKBQOJ-IUCAKERBSA-N -1 0 307.372 -0.712 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCN2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC000828354139 601660724 /nfs/dbraw/zinc/66/07/24/601660724.db2.gz GATZYUGLGXMADG-RKDXNWHRSA-N -1 0 312.326 -0.710 20 0 DBADRM C[C@H]1CN(C(=O)NCCCN2C(=O)CNC2=O)C[C@@H]1C(=O)[O-] ZINC000828354138 601660760 /nfs/dbraw/zinc/66/07/60/601660760.db2.gz GATZYUGLGXMADG-IUCAKERBSA-N -1 0 312.326 -0.710 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262421743 601666048 /nfs/dbraw/zinc/66/60/48/601666048.db2.gz FMABZRHHLVOUAB-MRVPVSSYSA-N -1 0 308.356 -0.984 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1=O ZINC000317011657 601670817 /nfs/dbraw/zinc/67/08/17/601670817.db2.gz SCTGXXLQIDLJAI-MRVPVSSYSA-N -1 0 313.310 -0.981 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1=O ZINC000316999236 601670856 /nfs/dbraw/zinc/67/08/56/601670856.db2.gz QNQHVADQRABUSE-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000262109838 601671102 /nfs/dbraw/zinc/67/11/02/601671102.db2.gz OBHSERBQTNHRGE-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N(CC(=O)[O-])C1CC1 ZINC000262143813 601672825 /nfs/dbraw/zinc/67/28/25/601672825.db2.gz KKMDNIPRMPDTHL-UHFFFAOYSA-N -1 0 322.383 -0.594 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000829624067 601678333 /nfs/dbraw/zinc/67/83/33/601678333.db2.gz MCYBUQODFGQDLC-MRVPVSSYSA-N -1 0 318.355 -0.980 20 0 DBADRM COC[C@H](C)CC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000831637759 601679689 /nfs/dbraw/zinc/67/96/89/601679689.db2.gz LMIOWXDSPOVHQQ-GFCCVEGCSA-N -1 0 302.371 -0.096 20 0 DBADRM Cc1oc(-c2cnn(C)c2)nc1C(=O)OCC(=O)NCC(=O)[O-] ZINC000821248842 601683139 /nfs/dbraw/zinc/68/31/39/601683139.db2.gz XSKGYBGPVRBVPY-UHFFFAOYSA-N -1 0 322.277 -0.259 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@@H]2CSCCS2)nn1 ZINC000229640614 601689758 /nfs/dbraw/zinc/68/97/58/601689758.db2.gz GVWJRQZYZVAZLE-SSDOTTSWSA-N -1 0 302.381 -0.059 20 0 DBADRM C[C@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)C[C@H]1C(=O)[O-] ZINC000828349090 601691941 /nfs/dbraw/zinc/69/19/41/601691941.db2.gz NCRIEKRZCICYDT-GXSJLCMTSA-N -1 0 316.317 -0.029 20 0 DBADRM COC[C@@](C)(NC(=O)CN(C)CC(=O)NC(C)C)C(=O)[O-] ZINC000831608277 601693437 /nfs/dbraw/zinc/69/34/37/601693437.db2.gz JPBTYMPDUVAQCF-CYBMUJFWSA-N -1 0 303.359 -0.951 20 0 DBADRM COC[C@@](C)(NC(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000262068404 601693722 /nfs/dbraw/zinc/69/37/22/601693722.db2.gz IDVWZUNRJJMRMV-CYBMUJFWSA-N -1 0 305.294 -0.118 20 0 DBADRM COC[C@@](C)(NC(=O)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000262115370 601694589 /nfs/dbraw/zinc/69/45/89/601694589.db2.gz OUEFGMSBENZORO-LLVKDONJSA-N -1 0 308.356 -0.982 20 0 DBADRM COC[C@@](C)(NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-] ZINC000831597749 601698381 /nfs/dbraw/zinc/69/83/81/601698381.db2.gz ZGMYDUBOVCLEOA-AMIZOPFISA-N -1 0 310.310 -0.632 20 0 DBADRM COC[C@@](C)(NC(=O)Cn1cnc2c1ncnc2N)C(=O)[O-] ZINC000831613621 601700841 /nfs/dbraw/zinc/70/08/41/601700841.db2.gz YYTBUVOADWFFLH-GFCCVEGCSA-N -1 0 308.298 -0.986 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])C2CC2)s1 ZINC000833089093 601703714 /nfs/dbraw/zinc/70/37/14/601703714.db2.gz VIULRRLZQIFRGE-MRVPVSSYSA-N -1 0 304.349 -0.012 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000828042085 601709153 /nfs/dbraw/zinc/70/91/53/601709153.db2.gz NVNDEHCVHGERDK-LBPRGKRZSA-N -1 0 301.274 -0.658 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000833092255 601709317 /nfs/dbraw/zinc/70/93/17/601709317.db2.gz VFTFNVOMDJVJHX-OQPBUACISA-N -1 0 310.285 -0.212 20 0 DBADRM CC(C)(CNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)[O-] ZINC000826562030 601714476 /nfs/dbraw/zinc/71/44/76/601714476.db2.gz XAYXINAMJVCUOE-AWEZNQCLSA-N -1 0 311.338 -0.066 20 0 DBADRM COC(=O)[C@]1(F)CCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000831090230 601714901 /nfs/dbraw/zinc/71/49/01/601714901.db2.gz YFLUKXRPHLPWBV-NSHDSACASA-N -1 0 300.246 -0.910 20 0 DBADRM C[C@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000828339865 601719695 /nfs/dbraw/zinc/71/96/95/601719695.db2.gz BCBKACDMKRVBHF-DTWKUNHWSA-N -1 0 306.384 -0.117 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])cs1 ZINC000262540627 601721120 /nfs/dbraw/zinc/72/11/20/601721120.db2.gz UXZKNCPFEZYUEZ-ZETCQYMHSA-N -1 0 320.348 -0.679 20 0 DBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000825982419 601721572 /nfs/dbraw/zinc/72/15/72/601721572.db2.gz DXCULRDEMBVJKI-FRRDWIJNSA-N -1 0 323.393 -0.138 20 0 DBADRM O=C([O-])[C@]1(NC(=O)Cn2c(=O)cnc3ccccc32)CCOC1 ZINC000833119482 601725347 /nfs/dbraw/zinc/72/53/47/601725347.db2.gz NFHOYOWSNIGXFW-HNNXBMFYSA-N -1 0 317.301 -0.244 20 0 DBADRM O=C(CNC(=O)OCC(F)(F)F)N[C@]1(C(=O)[O-])CCOC1 ZINC000833108394 601726577 /nfs/dbraw/zinc/72/65/77/601726577.db2.gz HGODRBFBJXFBOQ-SECBINFHSA-N -1 0 314.216 -0.365 20 0 DBADRM COCCn1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)ccc1=O ZINC000831800682 601726879 /nfs/dbraw/zinc/72/68/79/601726879.db2.gz QZIFGWNVNNMRRL-AWEZNQCLSA-N -1 0 310.306 -0.532 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCO1 ZINC000833216081 601737082 /nfs/dbraw/zinc/73/70/82/601737082.db2.gz YZKLXXSZIVZJBQ-GXSJLCMTSA-N -1 0 322.321 -0.535 20 0 DBADRM Cc1nc(SCC(=O)N2CCO[C@H](CC(=O)[O-])C2)n[nH]1 ZINC000832991692 601737782 /nfs/dbraw/zinc/73/77/82/601737782.db2.gz YZVZYZZAMLROES-MRVPVSSYSA-N -1 0 300.340 -0.093 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)CNC(=O)c2ccccn2)CCO1 ZINC000833215960 601739379 /nfs/dbraw/zinc/73/93/79/601739379.db2.gz FSYOTQUWIYBJSD-SNVBAGLBSA-N -1 0 307.306 -0.487 20 0 DBADRM Cn1cc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c(=O)n(C)c1=O ZINC000833041082 601754793 /nfs/dbraw/zinc/75/47/93/601754793.db2.gz CUJSHLRJJQOUGK-LLVKDONJSA-N -1 0 323.349 -0.153 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000829680416 601758565 /nfs/dbraw/zinc/75/85/65/601758565.db2.gz ZRMVHFQUWOXPJZ-ZJUUUORDSA-N -1 0 306.384 -0.163 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@@H]1C(=O)[O-] ZINC000828400797 601758731 /nfs/dbraw/zinc/75/87/31/601758731.db2.gz CJBVMLJDLGLCNQ-BQBZGAKWSA-N -1 0 302.308 -0.280 20 0 DBADRM CN(CC(=O)N1CC[C@](F)(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000830665597 601758902 /nfs/dbraw/zinc/75/89/02/601758902.db2.gz DJGMFXSVJMGHDB-JOYOIKCWSA-N -1 0 322.358 -0.870 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCCO[C@@H]2CCOC2)CCO1 ZINC000819310577 601760228 /nfs/dbraw/zinc/76/02/28/601760228.db2.gz HTZHSXXCNIHUPP-MNOVXSKESA-N -1 0 302.327 -0.323 20 0 DBADRM CC[C@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000828939674 601761675 /nfs/dbraw/zinc/76/16/75/601761675.db2.gz PSCSUUSKKRIATM-JTQLQIEISA-N -1 0 316.335 -0.308 20 0 DBADRM C[C@H](CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1)N1CCOCC1 ZINC000827477420 601765076 /nfs/dbraw/zinc/76/50/76/601765076.db2.gz KAAGKDUUWDOVNB-NEPJUHHUSA-N -1 0 315.370 -0.408 20 0 DBADRM O=C([O-])[C@]1(NC(=O)CNC(=O)Cc2ccccc2)CCOC1 ZINC000262132671 601766600 /nfs/dbraw/zinc/76/66/00/601766600.db2.gz QTQIMXGJFAYMMF-HNNXBMFYSA-N -1 0 306.318 -0.295 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2n[nH]c(=O)c3ccccc32)CCOC1 ZINC000315892261 601767283 /nfs/dbraw/zinc/76/72/83/601767283.db2.gz BWCNTNBMTKAOHL-CQSZACIVSA-N -1 0 303.274 -0.103 20 0 DBADRM C[C@@H](CN1CCCC1=O)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000827456001 601768814 /nfs/dbraw/zinc/76/88/14/601768814.db2.gz QKTZQLCZTHCGEW-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H](CS(=O)(=O)NCc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000827563508 601771606 /nfs/dbraw/zinc/77/16/06/601771606.db2.gz NWHJSWOHFWXQAH-MRVPVSSYSA-N -1 0 300.336 -0.074 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1=O ZINC000826966529 601775342 /nfs/dbraw/zinc/77/53/42/601775342.db2.gz RKSJTFYJPWYWRQ-QWRGUYRKSA-N -1 0 313.354 -0.119 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000830125534 601775733 /nfs/dbraw/zinc/77/57/33/601775733.db2.gz FJHIICPRAFQBTG-UWVGGRQHSA-N -1 0 322.383 -0.305 20 0 DBADRM C[C@@H](CS(=O)(=O)NCCN1C(=O)CSC1=O)C(=O)[O-] ZINC000827559949 601778539 /nfs/dbraw/zinc/77/85/39/601778539.db2.gz YNRMULARHLQOMC-LURJTMIESA-N -1 0 310.353 -0.678 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000818638848 601780365 /nfs/dbraw/zinc/78/03/65/601780365.db2.gz LBSPVZGTBRSUMK-SECBINFHSA-N -1 0 304.368 -0.073 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CCO1 ZINC000833217485 601781503 /nfs/dbraw/zinc/78/15/03/601781503.db2.gz OLGIDLULJWKJGK-ONGXEEELSA-N -1 0 311.338 -0.365 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@H](Cc1ccccc1)C(N)=O)C(=O)[O-] ZINC000827554081 601781775 /nfs/dbraw/zinc/78/17/75/601781775.db2.gz SNFVVORQTJWSPK-GXSJLCMTSA-N -1 0 314.363 -0.277 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@H](C)C(=O)NCc1ccco1)C(=O)[O-] ZINC000827547856 601782597 /nfs/dbraw/zinc/78/25/97/601782597.db2.gz XNDPVQHFOGTQAG-DTWKUNHWSA-N -1 0 318.351 -0.076 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@@H](C)C(=O)NCc1ccco1)C(=O)[O-] ZINC000827547859 601782675 /nfs/dbraw/zinc/78/26/75/601782675.db2.gz XNDPVQHFOGTQAG-IUCAKERBSA-N -1 0 318.351 -0.076 20 0 DBADRM CCOCCN1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000830011899 601789691 /nfs/dbraw/zinc/78/96/91/601789691.db2.gz POXUITSZHYVIEV-NSHDSACASA-N -1 0 308.400 -0.309 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCO[C@H](Cn2cncn2)C1)C(=O)[O-] ZINC000827546208 601792112 /nfs/dbraw/zinc/79/21/12/601792112.db2.gz IWYMTBAGLGXTJF-NXEZZACHSA-N -1 0 318.355 -0.971 20 0 DBADRM C[C@H]1CN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)C[C@H]1C(=O)[O-] ZINC000828387998 601795572 /nfs/dbraw/zinc/79/55/72/601795572.db2.gz VDMGXWFCBKCSLT-DTWKUNHWSA-N -1 0 324.341 -0.449 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCc2nn(C)c(=O)cc2C1)C(=O)[O-] ZINC000827545459 601797000 /nfs/dbraw/zinc/79/70/00/601797000.db2.gz AQHZSNJQTDIFJK-MRVPVSSYSA-N -1 0 315.351 -0.811 20 0 DBADRM O=C([O-])[C@H]1Cc2ccccc2CN1CC(=O)N1CCNC(=O)C1 ZINC000833359341 601800516 /nfs/dbraw/zinc/80/05/16/601800516.db2.gz XPHRPIKJKNRKTI-CYBMUJFWSA-N -1 0 317.345 -0.544 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1)C(=O)[O-] ZINC000827545697 601800768 /nfs/dbraw/zinc/80/07/68/601800768.db2.gz CPYYMQFRKXEBCS-MWLCHTKSSA-N -1 0 317.367 -0.156 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCO[C@H]([C@H]2CCCO2)C1)C(=O)[O-] ZINC000827545710 601803090 /nfs/dbraw/zinc/80/30/90/601803090.db2.gz CUXNDFHTVWDZBC-MXWKQRLJSA-N -1 0 307.368 -0.083 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(C(=O)NC)CC1)C(=O)[O-] ZINC000828720060 601843600 /nfs/dbraw/zinc/84/36/00/601843600.db2.gz UGXSEACHMNNHOJ-JQWIXIFHSA-N -1 0 314.386 -0.441 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCN(C(=O)NC)CC1)C(=O)[O-] ZINC000828720063 601843606 /nfs/dbraw/zinc/84/36/06/601843606.db2.gz UGXSEACHMNNHOJ-ZYHUDNBSSA-N -1 0 314.386 -0.441 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=S)NCCNS(C)(=O)=O)C1 ZINC000828020379 601852939 /nfs/dbraw/zinc/85/29/39/601852939.db2.gz PCPUPEGLRHRHGV-JTQLQIEISA-N -1 0 309.413 -0.793 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)CCO1 ZINC000819219582 601854275 /nfs/dbraw/zinc/85/42/75/601854275.db2.gz KOYQZMRZXSPBAP-NSHDSACASA-N -1 0 322.321 -0.456 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(F)F)c1)C(=O)[O-] ZINC000827466698 601859137 /nfs/dbraw/zinc/85/91/37/601859137.db2.gz QGWKXKHDLAXQIK-LURJTMIESA-N -1 0 304.253 -0.076 20 0 DBADRM CN(C)c1nc(N)nc(CN2CCSC[C@H]2CC(=O)[O-])n1 ZINC000830647762 601888870 /nfs/dbraw/zinc/88/88/70/601888870.db2.gz VQORZGOPXFZFPX-MRVPVSSYSA-N -1 0 312.399 -0.088 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000739579192 601898052 /nfs/dbraw/zinc/89/80/52/601898052.db2.gz NRGVTDLAKONTSI-SNVBAGLBSA-N -1 0 319.383 -0.377 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)NCCCCCC(=O)[O-])O1 ZINC000833081542 601908705 /nfs/dbraw/zinc/90/87/05/601908705.db2.gz IKKWEPOZWGGARI-VHSXEESVSA-N -1 0 301.343 -0.037 20 0 DBADRM CC(C)N(CCCNC(=O)CN(C)CC(=O)[O-])S(C)(=O)=O ZINC000826947705 601914251 /nfs/dbraw/zinc/91/42/51/601914251.db2.gz ZCNXPLUUGNBLRA-UHFFFAOYSA-N -1 0 323.415 -0.821 20 0 DBADRM Cn1cc(C(=O)NCc2cccc(C(=O)[O-])c2)c(=O)n(C)c1=O ZINC000776209073 601921871 /nfs/dbraw/zinc/92/18/71/601921871.db2.gz KVUBKAKAAJORKW-UHFFFAOYSA-N -1 0 317.301 -0.288 20 0 DBADRM C[C@@H](C(=O)NC1CC1)N1CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC000826000043 601930635 /nfs/dbraw/zinc/93/06/35/601930635.db2.gz LTOQROBRDZVATK-JTQLQIEISA-N -1 0 319.365 -0.036 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000740014291 601939197 /nfs/dbraw/zinc/93/91/97/601939197.db2.gz YVKRLFCMWSNIIM-JGVFFNPUSA-N -1 0 305.356 -0.912 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)Cn1cc([C@H](C)O)nn1 ZINC000831554034 601943855 /nfs/dbraw/zinc/94/38/55/601943855.db2.gz QLZXARBWYDWPEJ-UFBFGSQYSA-N -1 0 300.315 -0.673 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)Cn1cc([C@@H](C)O)nn1 ZINC000831554032 601943956 /nfs/dbraw/zinc/94/39/56/601943956.db2.gz QLZXARBWYDWPEJ-PRHODGIISA-N -1 0 300.315 -0.673 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739764418 601971672 /nfs/dbraw/zinc/97/16/72/601971672.db2.gz YYQMCQBFHMLFCC-VHSXEESVSA-N -1 0 301.343 -0.262 20 0 DBADRM O=C([O-])N(CCNC(=S)NCCN1CCOCC1)C1CC1 ZINC000740489580 601978926 /nfs/dbraw/zinc/97/89/26/601978926.db2.gz QQNQSNYRKKBHPQ-UHFFFAOYSA-N -1 0 316.427 -0.075 20 0 DBADRM Cn1nnnc1SCCC(=O)NCCN(C(=O)[O-])C1CC1 ZINC000740303211 601982677 /nfs/dbraw/zinc/98/26/77/601982677.db2.gz HTSNEUMUQVIDEZ-UHFFFAOYSA-N -1 0 314.371 -0.049 20 0 DBADRM O=C(CN1CCCS1(=O)=O)NCCN(C(=O)[O-])C1CC1 ZINC000740369524 601983780 /nfs/dbraw/zinc/98/37/80/601983780.db2.gz NFWGLLPBFWVDGQ-UHFFFAOYSA-N -1 0 305.356 -0.720 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](CNC(=O)[O-])C2)C[C@@H](C)O1 ZINC000739196265 601996657 /nfs/dbraw/zinc/99/66/57/601996657.db2.gz VKSOVOSVPMCESU-MXWKQRLJSA-N -1 0 321.399 -0.070 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)[C@H](C)C1 ZINC000825841872 602000310 /nfs/dbraw/zinc/00/03/10/602000310.db2.gz WEBYAJJEOMYLHR-MRVPVSSYSA-N -1 0 315.351 -0.046 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)c1ccn(C)n1 ZINC000739620821 602001928 /nfs/dbraw/zinc/00/19/28/602001928.db2.gz NXQGXNDCYVPXGF-UHFFFAOYSA-N -1 0 309.326 -0.686 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)N(CCN2CCOCC2)CC(=O)[O-])O1 ZINC000828207543 602006979 /nfs/dbraw/zinc/00/69/79/602006979.db2.gz MLWBETFKBREDLR-VXGBXAGGSA-N -1 0 300.355 -0.201 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000827991593 602008805 /nfs/dbraw/zinc/00/88/05/602008805.db2.gz SHCSJHISQCNNOI-GFCCVEGCSA-N -1 0 304.368 -0.960 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000833206466 602021362 /nfs/dbraw/zinc/02/13/62/602021362.db2.gz UWQLMGHHQIBCIS-LDYMZIIASA-N -1 0 306.322 -0.369 20 0 DBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)c2c[nH]cn2)C1 ZINC000740658268 602028133 /nfs/dbraw/zinc/02/81/33/602028133.db2.gz CPYDKUDKCBTURR-VIFPVBQESA-N -1 0 309.326 -0.354 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)NC[C@H]1CN(C)CCO1 ZINC000740016714 602029756 /nfs/dbraw/zinc/02/97/56/602029756.db2.gz LKTLHNSDWIEYCR-VHSXEESVSA-N -1 0 305.400 -0.178 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Cn2cnc3c2ncnc3N)C1 ZINC000827996890 602038725 /nfs/dbraw/zinc/03/87/25/602038725.db2.gz WQKYNRYYZPWETC-CYBMUJFWSA-N -1 0 304.310 -0.268 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2nccs2)c1=O ZINC000825799682 607542256 /nfs/dbraw/zinc/54/22/56/607542256.db2.gz QRTFJSXBILROIX-UHFFFAOYSA-N -1 0 305.323 -0.285 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCN(CC(N)=O)CC1 ZINC000740018078 602066851 /nfs/dbraw/zinc/06/68/51/602066851.db2.gz QYHPSRUVRZELGL-SECBINFHSA-N -1 0 318.399 -0.995 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)NS(C)(=O)=O ZINC000111774640 602068159 /nfs/dbraw/zinc/06/81/59/602068159.db2.gz KMDTWGAJNQBLEZ-GFCCVEGCSA-N -1 0 321.399 -0.180 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)O1 ZINC000821345231 602068710 /nfs/dbraw/zinc/06/87/10/602068710.db2.gz PVLJRKFKEUCXOF-LXKPXOPUSA-N -1 0 313.354 -0.038 20 0 DBADRM Cn1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)c(=O)n(C)c1=O ZINC000738405260 602069419 /nfs/dbraw/zinc/06/94/19/602069419.db2.gz LQORCZYLCMWWDU-UHFFFAOYSA-N -1 0 317.301 -0.037 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000827263049 602081218 /nfs/dbraw/zinc/08/12/18/602081218.db2.gz NPPJQVZLVLDGJO-QWRGUYRKSA-N -1 0 311.382 -0.092 20 0 DBADRM CC(C)NC(=O)CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000738856355 602083550 /nfs/dbraw/zinc/08/35/50/602083550.db2.gz WXBAQWMFWBGSCN-UHFFFAOYSA-N -1 0 323.309 -0.249 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739595568 602084040 /nfs/dbraw/zinc/08/40/40/602084040.db2.gz DZZTVWGJRJBFHS-UHFFFAOYSA-N -1 0 309.282 -0.686 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739462586 602084336 /nfs/dbraw/zinc/08/43/36/602084336.db2.gz OEGKKHZCMJDFTF-ZETCQYMHSA-N -1 0 323.309 -0.249 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)NCCOCCS(C)(=O)=O)C1 ZINC000828002959 602085108 /nfs/dbraw/zinc/08/51/08/602085108.db2.gz QYKCBHJGPGCHOD-LBPRGKRZSA-N -1 0 322.383 -0.446 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CC1 ZINC000739731286 602087336 /nfs/dbraw/zinc/08/73/36/602087336.db2.gz NDAMIKPRVOTHPS-UHFFFAOYSA-N -1 0 307.310 -0.116 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)C1 ZINC000740326189 602089720 /nfs/dbraw/zinc/08/97/20/602089720.db2.gz CIPVXAURBJCVMM-ZETCQYMHSA-N -1 0 321.293 -0.556 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000833013467 602092575 /nfs/dbraw/zinc/09/25/75/602092575.db2.gz ARQZRECRQMEPTR-JTQLQIEISA-N -1 0 324.337 -0.783 20 0 DBADRM C[C@H](NC(=O)NCCS(N)(=O)=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738973779 602098420 /nfs/dbraw/zinc/09/84/20/602098420.db2.gz BFZWGHDZVBUAJR-IUCAKERBSA-N -1 0 322.387 -0.647 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000827296369 602101321 /nfs/dbraw/zinc/10/13/21/602101321.db2.gz TVTFFPZUSSUVTL-VIFPVBQESA-N -1 0 321.333 -0.371 20 0 DBADRM O=C([O-])NCCC(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000740645861 602125222 /nfs/dbraw/zinc/12/52/22/602125222.db2.gz NQGLGPZOXABIFE-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM O=C([O-])CCNC(=O)Cn1cncc(Br)c1=O ZINC000833237491 602125893 /nfs/dbraw/zinc/12/58/93/602125893.db2.gz ZPTPSFBSLFGCPP-UHFFFAOYSA-N -1 0 304.100 -0.403 20 0 DBADRM COC[C@H](CCO)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000831650273 602133954 /nfs/dbraw/zinc/13/39/54/602133954.db2.gz IVPHLWGWQMSZGS-LBPRGKRZSA-N -1 0 324.333 -0.234 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000830742845 602136237 /nfs/dbraw/zinc/13/62/37/602136237.db2.gz SBJDUNVWPNKEKS-SECBINFHSA-N -1 0 302.356 -0.492 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)CC[C@H]1CCCO1 ZINC000831074256 602143327 /nfs/dbraw/zinc/14/33/27/602143327.db2.gz WHJXVHHAAXKFOZ-RKDXNWHRSA-N -1 0 309.340 -0.509 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000827316531 602169986 /nfs/dbraw/zinc/16/99/86/602169986.db2.gz AWQRRCQLGNJALY-QMMMGPOBSA-N -1 0 303.340 -0.023 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccccc1NC(=O)[O-] ZINC000738549332 602173606 /nfs/dbraw/zinc/17/36/06/602173606.db2.gz GDFDSOFAZHNTNZ-UHFFFAOYSA-N -1 0 308.294 -0.033 20 0 DBADRM COC(=O)COc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000261620862 602174155 /nfs/dbraw/zinc/17/41/55/602174155.db2.gz CDSQYFZVFLTGKD-MRVPVSSYSA-N -1 0 317.319 -0.010 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)[O-])cs2)C1=O ZINC000830894976 602181021 /nfs/dbraw/zinc/18/10/21/602181021.db2.gz QMYVWANOHAHZCQ-UHFFFAOYSA-N -1 0 311.275 -0.195 20 0 DBADRM O=C([O-])NC[C@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000740636612 602188077 /nfs/dbraw/zinc/18/80/77/602188077.db2.gz RIFSBMZUJCLBFT-SNVBAGLBSA-N -1 0 324.337 -0.567 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740368344 602189532 /nfs/dbraw/zinc/18/95/32/602189532.db2.gz UFTUNQLXLCZLQP-JTQLQIEISA-N -1 0 324.337 -0.567 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000827246576 602190413 /nfs/dbraw/zinc/19/04/13/602190413.db2.gz BAAFFTYRGCGENR-QWRGUYRKSA-N -1 0 320.411 -0.326 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000827292099 602190907 /nfs/dbraw/zinc/19/09/07/602190907.db2.gz OYCJCJVQAXBHAS-MRVPVSSYSA-N -1 0 319.339 -0.679 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)c2cccnc2)CC1)C(=O)[O-] ZINC000739620786 602193129 /nfs/dbraw/zinc/19/31/29/602193129.db2.gz MDFZKCBUBTZWOF-UHFFFAOYSA-N -1 0 306.322 -0.024 20 0 DBADRM CN1CCO[C@H]2CN(C(=O)NCCSCC(=O)[O-])C[C@@H]21 ZINC000830964382 602196738 /nfs/dbraw/zinc/19/67/38/602196738.db2.gz JVRGNESYVHRRBA-UWVGGRQHSA-N -1 0 303.384 -0.471 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)CN(C)C(=O)[O-])C1 ZINC000738543449 602204391 /nfs/dbraw/zinc/20/43/91/602204391.db2.gz TXZVPIIBCCGUDQ-JTQLQIEISA-N -1 0 315.326 -0.734 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)NCCSCC(=O)[O-])C1 ZINC000829794260 602205541 /nfs/dbraw/zinc/20/55/41/602205541.db2.gz DCFGFCHJOBKQJK-VIFPVBQESA-N -1 0 318.399 -0.093 20 0 DBADRM CN(CC(=O)OCC(=O)NC(=O)NCC(F)(F)F)C(=O)[O-] ZINC000739630892 602211087 /nfs/dbraw/zinc/21/10/87/602211087.db2.gz LVPNWCOXFNENCA-UHFFFAOYSA-N -1 0 315.204 -0.473 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)C(=O)Nc2cccnc2)CC1 ZINC000740439611 602211750 /nfs/dbraw/zinc/21/17/50/602211750.db2.gz MKFKSIXSFMZYSR-UHFFFAOYSA-N -1 0 321.337 -0.568 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCS2(=O)=O)o1 ZINC000133934544 602222382 /nfs/dbraw/zinc/22/23/82/602222382.db2.gz LUXBCRABTQOILP-ZETCQYMHSA-N -1 0 323.348 -0.167 20 0 DBADRM Cc1nnc([C@H]2CCCN(C(=O)Cn3cc(C(=O)[O-])nn3)C2)[nH]1 ZINC000832997059 602242293 /nfs/dbraw/zinc/24/22/93/602242293.db2.gz OCFYJHBCSQOJRK-VIFPVBQESA-N -1 0 319.325 -0.191 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000262243433 602246585 /nfs/dbraw/zinc/24/65/85/602246585.db2.gz YIWFWSIDAWNDLH-VIFPVBQESA-N -1 0 307.368 -0.098 20 0 DBADRM C[C@H](C(=O)NCCNC(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC000738626033 602247781 /nfs/dbraw/zinc/24/77/81/602247781.db2.gz APRUDXQGCRAEPB-MRVPVSSYSA-N -1 0 312.326 -0.377 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N(C)CCS(C)(=O)=O ZINC000739997440 602249561 /nfs/dbraw/zinc/24/95/61/602249561.db2.gz MABNFVJBDIFRCT-QMMMGPOBSA-N -1 0 312.413 -0.121 20 0 DBADRM CN1CCO[C@H]2CN(CC(=O)N3CCC(C(=O)[O-])CC3)C[C@H]21 ZINC000830966092 602260933 /nfs/dbraw/zinc/26/09/33/602260933.db2.gz XOYMEKUXVJCVTM-OLZOCXBDSA-N -1 0 311.382 -0.676 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000827324583 602271458 /nfs/dbraw/zinc/27/14/58/602271458.db2.gz IMJAVUVDYAIGJH-BDAKNGLRSA-N -1 0 314.338 -0.234 20 0 DBADRM COC(=O)[C@@H](C)NC(=O)c1cccc(C(=O)N[C@H](C)C(=O)[O-])n1 ZINC000831214849 602273645 /nfs/dbraw/zinc/27/36/45/602273645.db2.gz ASQYQMNCRAKLBC-HTQZYQBOSA-N -1 0 323.305 -0.424 20 0 DBADRM COC(=O)CNC(=O)CN1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000739759742 602274656 /nfs/dbraw/zinc/27/46/56/602274656.db2.gz CZMICCSDORURIF-NXEZZACHSA-N -1 0 301.343 -0.214 20 0 DBADRM CN1CCO[C@@H]2CN(C(=O)Nc3ccn(CC(=O)[O-])n3)C[C@@H]21 ZINC000830966260 602279751 /nfs/dbraw/zinc/27/97/51/602279751.db2.gz YQNXFZVEPGILAU-VHSXEESVSA-N -1 0 309.326 -0.486 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000827261946 602295472 /nfs/dbraw/zinc/29/54/72/602295472.db2.gz CSOHVLVNFHRGLH-SNVBAGLBSA-N -1 0 320.349 -0.060 20 0 DBADRM CN(CCNC(=O)CSCC(=O)N1CCOCC1)C(=O)[O-] ZINC000739692266 602297569 /nfs/dbraw/zinc/29/75/69/602297569.db2.gz PFUSORNNNWZODC-UHFFFAOYSA-N -1 0 319.383 -0.696 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000833178183 602297836 /nfs/dbraw/zinc/29/78/36/602297836.db2.gz CLRALZGYELAORT-FRRDWIJNSA-N -1 0 312.366 -0.343 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000738993855 602302361 /nfs/dbraw/zinc/30/23/61/602302361.db2.gz GIIAMORJYRPETL-JTQLQIEISA-N -1 0 311.342 -0.190 20 0 DBADRM CN(CCNC(=O)CNS(=O)(=O)c1cccs1)C(=O)[O-] ZINC000739691507 602302908 /nfs/dbraw/zinc/30/29/08/602302908.db2.gz IECCZYDZWOPJSF-UHFFFAOYSA-N -1 0 321.380 -0.248 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)CCN1CCCS1(=O)=O ZINC000738752406 602305473 /nfs/dbraw/zinc/30/54/73/602305473.db2.gz XWJHTSZDGBJNDM-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM Cn1cc(/C=C/C(=O)NC(C)(C)CNC(=O)[O-])c(=O)n(C)c1=O ZINC000740287926 602308428 /nfs/dbraw/zinc/30/84/28/602308428.db2.gz RGSWCLYLUQMNIO-AATRIKPKSA-N -1 0 324.337 -0.740 20 0 DBADRM COCCNC(=O)C1CCN(C(=O)NCCNC(=O)[O-])CC1 ZINC000739831301 602320084 /nfs/dbraw/zinc/32/00/84/602320084.db2.gz MCAUUKAVAIJDCR-UHFFFAOYSA-N -1 0 316.358 -0.562 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)NCCNC(=O)[O-] ZINC000738703246 602320471 /nfs/dbraw/zinc/32/04/71/602320471.db2.gz FRRLBMNXMCZVMD-UHFFFAOYSA-N -1 0 310.376 -0.729 20 0 DBADRM Cc1ncc(NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000740241434 602322048 /nfs/dbraw/zinc/32/20/48/602322048.db2.gz ZXRXBMUJDAUJKU-UHFFFAOYSA-N -1 0 322.325 -0.271 20 0 DBADRM C[C@@H](CCNC(=S)NCCNS(C)(=O)=O)NC(=O)[O-] ZINC000738902615 602322653 /nfs/dbraw/zinc/32/26/53/602322653.db2.gz CZBWSCDKQAZSPS-ZETCQYMHSA-N -1 0 312.417 -0.954 20 0 DBADRM COC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739799957 602338426 /nfs/dbraw/zinc/33/84/26/602338426.db2.gz AUTCUUVCAHBYRY-WDEREUQCSA-N -1 0 315.370 -0.109 20 0 DBADRM CN(CCNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-] ZINC000739699254 602341344 /nfs/dbraw/zinc/34/13/44/602341344.db2.gz XEVWMLBVADFQGM-UHFFFAOYSA-N -1 0 306.278 -0.444 20 0 DBADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Cn1cc(CO)nn1 ZINC000833194128 602345812 /nfs/dbraw/zinc/34/58/12/602345812.db2.gz AIWMJRMPYNLDDM-CYBMUJFWSA-N -1 0 316.317 -0.192 20 0 DBADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCCCNC(=O)[O-] ZINC000740274708 602346488 /nfs/dbraw/zinc/34/64/88/602346488.db2.gz RBUJLORHNAIWJQ-UHFFFAOYSA-N -1 0 319.339 -0.069 20 0 DBADRM O=C([O-])NCCCNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000740655473 602348620 /nfs/dbraw/zinc/34/86/20/602348620.db2.gz OTYPSOZCKKTBLA-UHFFFAOYSA-N -1 0 306.278 -0.396 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCCNC(=O)[O-] ZINC000739991140 602348843 /nfs/dbraw/zinc/34/88/43/602348843.db2.gz KNLJFOWJJUHRLC-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM CC1(C)NC(=O)N(CCCC(=O)NCCCNC(=O)[O-])C1=O ZINC000739074883 602349266 /nfs/dbraw/zinc/34/92/66/602349266.db2.gz MKBDMSZBLZKNCA-UHFFFAOYSA-N -1 0 314.342 -0.129 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@H]1CSCN1C(=O)[O-] ZINC000739621291 602349664 /nfs/dbraw/zinc/34/96/64/602349664.db2.gz AJRKTYPDBMQLCU-SECBINFHSA-N -1 0 317.367 -0.644 20 0 DBADRM O=C([O-])NCCCNC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000740653875 602350172 /nfs/dbraw/zinc/35/01/72/602350172.db2.gz YLZRUDWYUALSOR-QMMMGPOBSA-N -1 0 310.397 -0.319 20 0 DBADRM CN(C(=O)[C@H]1CSCN1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739593230 602350556 /nfs/dbraw/zinc/35/05/56/602350556.db2.gz GYLJBRGALIEXPX-JGVFFNPUSA-N -1 0 308.381 -0.315 20 0 DBADRM COc1ncc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1C(N)=O ZINC000818638774 602367655 /nfs/dbraw/zinc/36/76/55/602367655.db2.gz DHNVTZRZHDUPLO-VIFPVBQESA-N -1 0 324.293 -0.494 20 0 DBADRM COc1ncc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C(N)=O ZINC000818638772 602367715 /nfs/dbraw/zinc/36/77/15/602367715.db2.gz DHNVTZRZHDUPLO-SECBINFHSA-N -1 0 324.293 -0.494 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000739316370 602373281 /nfs/dbraw/zinc/37/32/81/602373281.db2.gz UMWPPEKRXGXRMC-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000737120970 602375783 /nfs/dbraw/zinc/37/57/83/602375783.db2.gz AJWLATGEOWIBRI-LBPRGKRZSA-N -1 0 314.386 -0.441 20 0 DBADRM CC(C)N(CCC(=O)NCCCNS(C)(=O)=O)C(=O)[O-] ZINC000738842152 602375987 /nfs/dbraw/zinc/37/59/87/602375987.db2.gz KWQBUNWZQFGQGH-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM Cn1cc(S(=O)(=O)NCCCNC(=O)[O-])cc1C(N)=O ZINC000740290826 602389480 /nfs/dbraw/zinc/38/94/80/602389480.db2.gz QYFGNCXRAYJAQW-UHFFFAOYSA-N -1 0 304.328 -0.940 20 0 DBADRM NC(=O)C1(CNC(=O)[C@H]2CSCN2C(=O)[O-])CCOCC1 ZINC000740325166 602391296 /nfs/dbraw/zinc/39/12/96/602391296.db2.gz MIUFFBMEUDGVEF-MRVPVSSYSA-N -1 0 317.367 -0.562 20 0 DBADRM NC(=O)Cn1cc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)nn1 ZINC000833083425 602394987 /nfs/dbraw/zinc/39/49/87/602394987.db2.gz YIDPNGDGABDAGD-UHFFFAOYSA-N -1 0 307.241 -0.147 20 0 DBADRM COC(=O)[C@@H](C)NC(=O)C1(C(=O)N[C@H](C)C(=O)[O-])CCC1 ZINC000831215481 602396563 /nfs/dbraw/zinc/39/65/63/602396563.db2.gz WJXVOBJCBKQHPL-HTQZYQBOSA-N -1 0 300.311 -0.576 20 0 DBADRM NC(=O)NC[C@@H]1CCCN(C(=O)NCCCNC(=O)[O-])C1 ZINC000740333282 602404017 /nfs/dbraw/zinc/40/40/17/602404017.db2.gz SXEDQQAKTFMGEI-VIFPVBQESA-N -1 0 301.347 -0.266 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCCCNC(=O)[O-])C1 ZINC000739991119 602404082 /nfs/dbraw/zinc/40/40/82/602404082.db2.gz KFTIUGZMBVPVHO-SECBINFHSA-N -1 0 322.387 -0.633 20 0 DBADRM CN(CCNC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC000739698077 602406174 /nfs/dbraw/zinc/40/61/74/602406174.db2.gz RKDOZZRIMOFWQI-UHFFFAOYSA-N -1 0 304.328 -0.988 20 0 DBADRM COCCS(=O)(=O)CC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000739838296 602420513 /nfs/dbraw/zinc/42/05/13/602420513.db2.gz PHTTTWZTCOCHHP-SNVBAGLBSA-N -1 0 322.383 -0.446 20 0 DBADRM CN(CC(=O)N[C@@](C)(CNC(=O)[O-])C1CC1)S(C)(=O)=O ZINC000739621297 602426387 /nfs/dbraw/zinc/42/63/87/602426387.db2.gz ANWIAFKTDPJUNZ-NSHDSACASA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000738614632 602433532 /nfs/dbraw/zinc/43/35/32/602433532.db2.gz MNQNFGSYDHNEEX-MWLCHTKSSA-N -1 0 312.370 -0.559 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)Cn1nnc2ccccc2c1=O ZINC000738925608 602446221 /nfs/dbraw/zinc/44/62/21/602446221.db2.gz AWHZUKLGFUFQLI-SECBINFHSA-N -1 0 319.321 -0.094 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NC2(CNC(=O)[O-])CCCC2)c1=O ZINC000740274954 602453194 /nfs/dbraw/zinc/45/31/94/602453194.db2.gz DLHJBSOUWMWNEK-UHFFFAOYSA-N -1 0 324.337 -0.756 20 0 DBADRM O=C([O-])N1CC[C@@H](CCNS(=O)(=O)N2CCOCC2)C1 ZINC000740496938 602456259 /nfs/dbraw/zinc/45/62/59/602456259.db2.gz JZIFEGQXORABMD-SNVBAGLBSA-N -1 0 307.372 -0.457 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000740342789 602458612 /nfs/dbraw/zinc/45/86/12/602458612.db2.gz WJBWVPZYNLFPIV-MRVPVSSYSA-N -1 0 319.325 -0.475 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=S)NCCCN2CCOCC2)C1 ZINC000740505035 602459115 /nfs/dbraw/zinc/45/91/15/602459115.db2.gz IWNQSSMABRROSL-LLVKDONJSA-N -1 0 316.427 -0.075 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000739039182 602460988 /nfs/dbraw/zinc/46/09/88/602460988.db2.gz YYFMOLCFFHMMPE-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000739039176 602461071 /nfs/dbraw/zinc/46/10/71/602461071.db2.gz YYFMOLCFFHMMPE-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000738923563 602465170 /nfs/dbraw/zinc/46/51/70/602465170.db2.gz HVDMQLGBWHMQRH-SECBINFHSA-N -1 0 321.399 -0.228 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739983704 602471162 /nfs/dbraw/zinc/47/11/62/602471162.db2.gz DEBXSZPURXRHQC-SNVBAGLBSA-N -1 0 319.383 -0.474 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739991804 602471170 /nfs/dbraw/zinc/47/11/70/602471170.db2.gz NQKBKSLACHCOFJ-RKDXNWHRSA-N -1 0 305.356 -0.721 20 0 DBADRM CCN(CCNC(=O)CN(C)c1ncnc2nc[nH]c21)C(=O)[O-] ZINC000739421481 602472367 /nfs/dbraw/zinc/47/23/67/602472367.db2.gz SHKSSIMRBVQLHZ-UHFFFAOYSA-N -1 0 321.341 -0.095 20 0 DBADRM CN(CC(=O)N[C@@H]1CCN(C(=O)[O-])C1)c1ncnc2nc[nH]c21 ZINC000739623707 602473743 /nfs/dbraw/zinc/47/37/43/602473743.db2.gz JWGSRARMARLVFI-MRVPVSSYSA-N -1 0 319.325 -0.342 20 0 DBADRM CN(C[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1)C(=O)[O-] ZINC000739650271 602485260 /nfs/dbraw/zinc/48/52/60/602485260.db2.gz MWNAMNCYYNAWAS-SNVBAGLBSA-N -1 0 324.337 -0.995 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738538248 602491765 /nfs/dbraw/zinc/49/17/65/602491765.db2.gz UMNOBMNSRCHPDV-SNVBAGLBSA-N -1 0 300.359 -0.735 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1ccc[n+]([O-])c1 ZINC000739688020 602492490 /nfs/dbraw/zinc/49/24/90/602492490.db2.gz JGHNDJRNGNYDKW-UHFFFAOYSA-N -1 0 308.338 -0.312 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)Cn1ccccc1=O ZINC000739685124 602493021 /nfs/dbraw/zinc/49/30/21/602493021.db2.gz NBFCFSXXDSRRHO-UHFFFAOYSA-N -1 0 322.365 -0.398 20 0 DBADRM C[C@@H](C(=O)N(C)CCN1CCN(C(=O)[O-])CC1)S(C)(=O)=O ZINC000738605491 602495960 /nfs/dbraw/zinc/49/59/60/602495960.db2.gz VYJGHTITTDMYGI-JTQLQIEISA-N -1 0 321.399 -0.827 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000739284510 602496062 /nfs/dbraw/zinc/49/60/62/602496062.db2.gz JIWQVFOVMQSVES-LLVKDONJSA-N -1 0 322.387 -0.840 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000739516189 602498404 /nfs/dbraw/zinc/49/84/04/602498404.db2.gz QFEQXHMQCPOMOZ-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)[O-])CC1 ZINC000739805633 602501551 /nfs/dbraw/zinc/50/15/51/602501551.db2.gz OYHGPDXHURUEBQ-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM Cn1cc(C(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)c(=O)[nH]c1=O ZINC000740280173 602506659 /nfs/dbraw/zinc/50/66/59/602506659.db2.gz JQPJNVDAVFXZIY-ZDUSSCGKSA-N -1 0 310.310 -0.348 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)[O-])CCO1 ZINC000739757482 602513224 /nfs/dbraw/zinc/51/32/24/602513224.db2.gz XVZSEJQOILBGPU-UWVGGRQHSA-N -1 0 300.311 -0.081 20 0 DBADRM CCCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739343169 602515819 /nfs/dbraw/zinc/51/58/19/602515819.db2.gz KAWQVMHEBJDCFB-SNVBAGLBSA-N -1 0 321.399 -0.131 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCC(S(=O)(=O)NC)CC1 ZINC000739304402 602517956 /nfs/dbraw/zinc/51/79/56/602517956.db2.gz GEPKPPWAZVZSLK-SNVBAGLBSA-N -1 0 321.399 -0.037 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)CCCN1C(=O)CNC1=O ZINC000738922339 602525833 /nfs/dbraw/zinc/52/58/33/602525833.db2.gz DTJXQSAPHCDDGY-QMMMGPOBSA-N -1 0 300.315 -0.567 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000737931418 602527421 /nfs/dbraw/zinc/52/74/21/602527421.db2.gz YYTPBQSYIRJGKB-UHFFFAOYSA-N -1 0 310.310 -0.450 20 0 DBADRM C[C@@H](NC(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1)C(=O)N(C)C ZINC000738962502 602528428 /nfs/dbraw/zinc/52/84/28/602528428.db2.gz RUJYYBBUIPHNEN-GHMZBOCLSA-N -1 0 314.386 -0.489 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N[C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000739725626 602532892 /nfs/dbraw/zinc/53/28/92/602532892.db2.gz ZOSFTJCVVZNMLG-VIFPVBQESA-N -1 0 312.326 -0.471 20 0 DBADRM C[C@H](NC(=O)CN1CCC(N(C)C(=O)[O-])CC1)C(=O)N(C)C ZINC000737682171 602535113 /nfs/dbraw/zinc/53/51/13/602535113.db2.gz CBFGBLVYJINJPG-JTQLQIEISA-N -1 0 314.386 -0.347 20 0 DBADRM CN(C)c1nc(N)nc(CN2CC[C@H](CN(C)C(=O)[O-])C2)n1 ZINC000739666682 602535307 /nfs/dbraw/zinc/53/53/07/602535307.db2.gz UADCPGYKCHMEIP-SECBINFHSA-N -1 0 309.374 -0.049 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)o1 ZINC000739751406 602537212 /nfs/dbraw/zinc/53/72/12/602537212.db2.gz DUVZFMHHWHQMCL-ZETCQYMHSA-N -1 0 317.323 -0.330 20 0 DBADRM CCOCCS(=O)(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739492727 602549554 /nfs/dbraw/zinc/54/95/54/602549554.db2.gz IVXBDWUHCJDORC-UHFFFAOYSA-N -1 0 323.415 -0.420 20 0 DBADRM CN1CCO[C@H](CNC(=O)NC2CCN(C(=O)[O-])CC2)C1 ZINC000737529885 602554375 /nfs/dbraw/zinc/55/43/75/602554375.db2.gz MCTGYEKCSMKWLE-LLVKDONJSA-N -1 0 300.359 -0.241 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000739761170 602556321 /nfs/dbraw/zinc/55/63/21/602556321.db2.gz LGXHSNUGTZJWPB-QMMMGPOBSA-N -1 0 302.283 -0.649 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)NC1CCN(CC(N)=O)CC1 ZINC000739309497 602564743 /nfs/dbraw/zinc/56/47/43/602564743.db2.gz DOETVFWPQKAAHT-SNVBAGLBSA-N -1 0 300.359 -0.511 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000739196144 602566627 /nfs/dbraw/zinc/56/66/27/602566627.db2.gz VFEYCSTWZXCBMA-IVZWLZJFSA-N -1 0 309.388 -0.072 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000739196157 602566679 /nfs/dbraw/zinc/56/66/79/602566679.db2.gz VFEYCSTWZXCBMA-LPEHRKFASA-N -1 0 309.388 -0.072 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)NC)CC1 ZINC000739241774 602566976 /nfs/dbraw/zinc/56/69/76/602566976.db2.gz ZSKQKFQHCAVYCY-CMPLNLGQSA-N -1 0 314.386 -0.441 20 0 DBADRM CN(CC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000739627878 602569409 /nfs/dbraw/zinc/56/94/09/602569409.db2.gz HCDWKYGWKYVDAB-UHFFFAOYSA-N -1 0 321.293 -0.820 20 0 DBADRM COC(C)(C)C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739791252 602569865 /nfs/dbraw/zinc/56/98/65/602569865.db2.gz HQJASSNNZODLIZ-UHFFFAOYSA-N -1 0 301.343 -0.308 20 0 DBADRM O=C(CNC(=O)N[C@H]1CCN(C(=O)[O-])C1)NCc1ccco1 ZINC000740377376 602576623 /nfs/dbraw/zinc/57/66/23/602576623.db2.gz JMOIDMUYDAQJOE-VIFPVBQESA-N -1 0 310.310 -0.053 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000738854149 602577144 /nfs/dbraw/zinc/57/71/44/602577144.db2.gz ALWLLTFZNCXXGN-LLVKDONJSA-N -1 0 314.386 -0.299 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000738859018 602582969 /nfs/dbraw/zinc/58/29/69/602582969.db2.gz FYQZUHRUQWUXGZ-SECBINFHSA-N -1 0 322.387 -0.634 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NCCNC(=O)c2cccnc2)C1 ZINC000740442132 602585419 /nfs/dbraw/zinc/58/54/19/602585419.db2.gz RTAYOGJVHAYTGJ-NSHDSACASA-N -1 0 321.337 -0.137 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000739989410 602585477 /nfs/dbraw/zinc/58/54/77/602585477.db2.gz BCXJTZFNRWVGGQ-NXEZZACHSA-N -1 0 319.383 -0.331 20 0 DBADRM CCN(CCCNC(=O)CN1CCC(=O)NC1=O)C(=O)[O-] ZINC000739418805 602588277 /nfs/dbraw/zinc/58/82/77/602588277.db2.gz XTQRTYGEHRQGEF-UHFFFAOYSA-N -1 0 300.315 -0.566 20 0 DBADRM COCCN1C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)[O-])CC1=O ZINC000739828816 602588485 /nfs/dbraw/zinc/58/84/85/602588485.db2.gz LPVVYVRRFITGQL-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM COCCN1C[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)[O-])CC1=O ZINC000739828818 602588583 /nfs/dbraw/zinc/58/85/83/602588583.db2.gz LPVVYVRRFITGQL-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)NCCCN(C(=O)[O-])C1CC1 ZINC000740366572 602588693 /nfs/dbraw/zinc/58/86/93/602588693.db2.gz GZIWMQDFDZHDCD-UHFFFAOYSA-N -1 0 312.326 -0.423 20 0 DBADRM CN1CCCC[C@H]1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739728615 602589300 /nfs/dbraw/zinc/58/93/00/602589300.db2.gz RYNODTWPBMCKJF-NSHDSACASA-N -1 0 312.370 -0.591 20 0 DBADRM C[C@@H](NC(=O)CN1CC(=O)NC1=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738963420 602589923 /nfs/dbraw/zinc/58/99/23/602589923.db2.gz XONZYGBVJWQIMH-RKDXNWHRSA-N -1 0 312.326 -0.567 20 0 DBADRM CC(C)N(CCCNC(=O)CN1CCC(=O)NC1=O)C(=O)[O-] ZINC000738850068 602591598 /nfs/dbraw/zinc/59/15/98/602591598.db2.gz QRDKZHAWIBQYDL-UHFFFAOYSA-N -1 0 314.342 -0.177 20 0 DBADRM CC(C)(NC(=O)[O-])c1noc(COC(=O)[C@@H]2CNC(=O)N2)n1 ZINC000738755913 602596528 /nfs/dbraw/zinc/59/65/28/602596528.db2.gz UUJDHBNPWBZWTD-YFKPBYRVSA-N -1 0 313.270 -0.703 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000740421361 602596639 /nfs/dbraw/zinc/59/66/39/602596639.db2.gz YXUJADTYOPYSDB-VHSXEESVSA-N -1 0 319.383 -0.137 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCc2cocn2)CC1 ZINC000740405841 602599253 /nfs/dbraw/zinc/59/92/53/602599253.db2.gz ZGVHUZXQCMTDTE-UHFFFAOYSA-N -1 0 311.298 -0.704 20 0 DBADRM CN1CCO[C@H](CNC(=O)NC[C@H]2CCCN2C(=O)[O-])C1 ZINC000739742104 602600602 /nfs/dbraw/zinc/60/06/02/602600602.db2.gz ICFXRGLAMHBZOT-GHMZBOCLSA-N -1 0 300.359 -0.241 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NCCCN2CCOCC2)C1 ZINC000740428730 602611402 /nfs/dbraw/zinc/61/14/02/602611402.db2.gz OOGDCBMQTYVBCC-LLVKDONJSA-N -1 0 300.359 -0.240 20 0 DBADRM CNC(=O)CNC(=O)NCCCN(Cc1cccnc1)C(=O)[O-] ZINC000739740697 602611593 /nfs/dbraw/zinc/61/15/93/602611593.db2.gz RZIUJTBUZMSTIT-UHFFFAOYSA-N -1 0 323.353 -0.003 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N2CCn3cnnc3C2)CC1 ZINC000740527828 602623673 /nfs/dbraw/zinc/62/36/73/602623673.db2.gz ZSSGKHZURYNWJI-UHFFFAOYSA-N -1 0 323.357 -0.901 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000738861778 602623915 /nfs/dbraw/zinc/62/39/15/602623915.db2.gz ZFODWBQIKJCZMQ-VIFPVBQESA-N -1 0 324.403 -0.388 20 0 DBADRM CCn1ccnc1CN1CCN(C(=O)NCCNC(=O)[O-])CC1 ZINC000739570215 602625054 /nfs/dbraw/zinc/62/50/54/602625054.db2.gz MWIYMZSUOYBLAX-UHFFFAOYSA-N -1 0 324.385 -0.002 20 0 DBADRM CN(CCNC(=O)N1CCO[C@@H](Cn2cccn2)C1)C(=O)[O-] ZINC000739693097 602629037 /nfs/dbraw/zinc/62/90/37/602629037.db2.gz SLMFUZLXVDOHNT-LLVKDONJSA-N -1 0 311.342 -0.097 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)NCCCN1C(=O)CCC1=O ZINC000738925882 602629670 /nfs/dbraw/zinc/62/96/70/602629670.db2.gz IWXPUTQUMLXLEY-VIFPVBQESA-N -1 0 314.342 -0.177 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000739465846 602631309 /nfs/dbraw/zinc/63/13/09/602631309.db2.gz NRLKHMPYFYZYAP-MRVPVSSYSA-N -1 0 310.376 -0.777 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739755505 602633303 /nfs/dbraw/zinc/63/33/03/602633303.db2.gz JGDPWDGIBRDLJH-RKDXNWHRSA-N -1 0 301.299 -0.678 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739755502 602633408 /nfs/dbraw/zinc/63/34/08/602633408.db2.gz JGDPWDGIBRDLJH-BDAKNGLRSA-N -1 0 301.299 -0.678 20 0 DBADRM CN(C(=O)N[C@H]1CCN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000739578172 602635332 /nfs/dbraw/zinc/63/53/32/602635332.db2.gz XKGKBJSURPAKDO-DTWKUNHWSA-N -1 0 305.356 -0.433 20 0 DBADRM CCN(CCNC(=O)N1CCO[C@H](C(=O)OC)C1)C(=O)[O-] ZINC000739428593 602636621 /nfs/dbraw/zinc/63/66/21/602636621.db2.gz CYCCCCQXNBTMQU-VIFPVBQESA-N -1 0 303.315 -0.430 20 0 DBADRM O=C([O-])N1CCC[C@H](C(=O)NCCCN2C(=O)CNC2=O)C1 ZINC000738500463 602639338 /nfs/dbraw/zinc/63/93/38/602639338.db2.gz KJSDCAULGLXGRM-VIFPVBQESA-N -1 0 312.326 -0.566 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC000739288197 602639866 /nfs/dbraw/zinc/63/98/66/602639866.db2.gz PCPVXYQYBWMZHA-CYBMUJFWSA-N -1 0 314.342 -0.129 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000740205115 602640003 /nfs/dbraw/zinc/64/00/03/602640003.db2.gz VISZMZKJLZOCPE-UHFFFAOYSA-N -1 0 309.370 -0.019 20 0 DBADRM C[C@@H](CCNC(=O)NCCCN1C(=O)CNC1=O)NC(=O)[O-] ZINC000738903055 602651757 /nfs/dbraw/zinc/65/17/57/602651757.db2.gz XYLNLGVUUCPLKV-QMMMGPOBSA-N -1 0 315.330 -0.726 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NCC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739034442 602652455 /nfs/dbraw/zinc/65/24/55/602652455.db2.gz AASZQQKEMBYHHS-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM CN(CCOC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000737996388 602659037 /nfs/dbraw/zinc/65/90/37/602659037.db2.gz CYHKHQMOUHAZDR-SECBINFHSA-N -1 0 308.356 -0.047 20 0 DBADRM CNC(=O)c1ccc(CNC(=O)COCCNC(=O)[O-])cc1 ZINC000739744699 602659834 /nfs/dbraw/zinc/65/98/34/602659834.db2.gz ITKLYCHQPGKVFL-UHFFFAOYSA-N -1 0 309.322 -0.053 20 0 DBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)[C@H]1CCCN1C(=O)[O-] ZINC000739613783 602662597 /nfs/dbraw/zinc/66/25/97/602662597.db2.gz CMZNJQCBTFUCEX-SECBINFHSA-N -1 0 323.371 -0.590 20 0 DBADRM CCOC(=O)N1CCCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000739474924 602663694 /nfs/dbraw/zinc/66/36/94/602663694.db2.gz AKFAZXOQOWEMSO-UHFFFAOYSA-N -1 0 317.342 -0.039 20 0 DBADRM O=C([O-])NCCOCC(=O)NCc1nnnn1-c1ccccc1 ZINC000740665465 602663874 /nfs/dbraw/zinc/66/38/74/602663874.db2.gz XGACUUQSXLUKOR-UHFFFAOYSA-N -1 0 320.309 -0.437 20 0 DBADRM CC(=O)NC1CCC(NC(=O)COCCNC(=O)[O-])CC1 ZINC000738541836 602664447 /nfs/dbraw/zinc/66/44/47/602664447.db2.gz PGUCJPONFNWUAN-UHFFFAOYSA-N -1 0 301.343 -0.166 20 0 DBADRM CN(C)C(=O)[C@@H]1CSCN1C(=O)COCCNC(=O)[O-] ZINC000739598460 602664785 /nfs/dbraw/zinc/66/47/85/602664785.db2.gz ZFOOWCSRWNDLAZ-QMMMGPOBSA-N -1 0 305.356 -0.740 20 0 DBADRM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)COCCNC(=O)[O-] ZINC000740329949 602666763 /nfs/dbraw/zinc/66/67/63/602666763.db2.gz WPUVYDKEFABHJF-ZDUSSCGKSA-N -1 0 321.333 -0.118 20 0 DBADRM CCc1nc(CN2CCC[C@@H](NC(=O)CNC(=O)[O-])C2)no1 ZINC000737279583 602667897 /nfs/dbraw/zinc/66/78/97/602667897.db2.gz KOWOTHKLIXBABX-SECBINFHSA-N -1 0 311.342 -0.020 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(N)=NOCC(=O)N1CCO[C@@H](C)C1 ZINC000739130277 602672341 /nfs/dbraw/zinc/67/23/41/602672341.db2.gz BWULVPRVGCGCLF-ZJUUUORDSA-N -1 0 316.358 -0.022 20 0 DBADRM CS(=O)(=O)CCCC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739984258 602673918 /nfs/dbraw/zinc/67/39/18/602673918.db2.gz RHEYGWTYSPZSIQ-UHFFFAOYSA-N -1 0 321.399 -0.777 20 0 DBADRM CNC(=O)C1(C(=O)N(C)CCN2CCN(C(=O)[O-])CC2)CC1 ZINC000739740652 602674831 /nfs/dbraw/zinc/67/48/31/602674831.db2.gz AIQLADHYQDMESO-UHFFFAOYSA-N -1 0 312.370 -0.733 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000739520999 602675484 /nfs/dbraw/zinc/67/54/84/602675484.db2.gz KNXDVQZQCUWKAP-ZJUUUORDSA-N -1 0 322.383 -0.305 20 0 DBADRM CCN(CCNC(=O)NCCCN1C(=O)CCC1=O)C(=O)[O-] ZINC000739432990 602679000 /nfs/dbraw/zinc/67/90/00/602679000.db2.gz UHHMTMBEBTXPTM-UHFFFAOYSA-N -1 0 314.342 -0.175 20 0 DBADRM CN(CCCNC(=O)NCCCN1C(=O)CCC1=O)C(=O)[O-] ZINC000739673495 602679802 /nfs/dbraw/zinc/67/98/02/602679802.db2.gz NNDUHFJSOFKZAW-UHFFFAOYSA-N -1 0 314.342 -0.175 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)O[C@@H]1CCN(C(=O)[O-])C1 ZINC000739990576 602683873 /nfs/dbraw/zinc/68/38/73/602683873.db2.gz HSLIPFDPCZNFKO-BDAKNGLRSA-N -1 0 306.340 -0.294 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739203189 602684077 /nfs/dbraw/zinc/68/40/77/602684077.db2.gz NUNBWGCMRNQMDH-UHFFFAOYSA-N -1 0 305.298 -0.769 20 0 DBADRM NC(=O)Cn1cc(NC(=O)c2csc(CNC(=O)[O-])n2)cn1 ZINC000740334101 602698856 /nfs/dbraw/zinc/69/88/56/602698856.db2.gz XVPGVOZJCWVLRB-UHFFFAOYSA-N -1 0 324.322 -0.155 20 0 DBADRM NC(=O)[C@@H]1Cc2ccccc2N(C(=O)COCCNC(=O)[O-])C1 ZINC000740329922 602711097 /nfs/dbraw/zinc/71/10/97/602711097.db2.gz ZKAFNIVDAKMPAI-LLVKDONJSA-N -1 0 321.333 -0.039 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)NCCc1nncn1C ZINC000740018584 602712585 /nfs/dbraw/zinc/71/25/85/602712585.db2.gz SIQLDNGNJQVRLW-MRVPVSSYSA-N -1 0 301.372 -0.137 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=S)NCCN1CCOCC1 ZINC000739159290 602713221 /nfs/dbraw/zinc/71/32/21/602713221.db2.gz GGIAPYUTCLVCCF-NSHDSACASA-N -1 0 316.427 -0.123 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1CCCN(C(=O)[O-])C1)NS(C)(=O)=O ZINC000737589868 602713575 /nfs/dbraw/zinc/71/35/75/602713575.db2.gz RJFCOHKVVTUGQS-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCSc1nnnn1C ZINC000739149945 602722243 /nfs/dbraw/zinc/72/22/43/602722243.db2.gz QXCCCWRPKCLOHS-MRVPVSSYSA-N -1 0 314.371 -0.097 20 0 DBADRM C[C@H](OC(=O)c1csc(CNC(=O)[O-])n1)C(=O)NC(N)=O ZINC000739041348 602723412 /nfs/dbraw/zinc/72/34/12/602723412.db2.gz AFYKSAXNMDSSQU-BYPYZUCNSA-N -1 0 316.295 -0.349 20 0 DBADRM CC(C)[C@](C)(O)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000738774394 602725070 /nfs/dbraw/zinc/72/50/70/602725070.db2.gz WLHIEOCWJYIZJV-CQSZACIVSA-N -1 0 316.402 -0.012 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CS(=O)(=O)NC(C)(C)C ZINC000739147891 602730997 /nfs/dbraw/zinc/73/09/97/602730997.db2.gz HPJPNDNKTGPSQY-SECBINFHSA-N -1 0 321.399 -0.085 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000737350948 602733030 /nfs/dbraw/zinc/73/30/30/602733030.db2.gz YCJZPLCYTFQQFH-UHFFFAOYSA-N -1 0 314.386 -0.299 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000739151688 602746030 /nfs/dbraw/zinc/74/60/30/602746030.db2.gz IERXSDJCVJTMMX-UWVGGRQHSA-N -1 0 319.383 -0.185 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@H]1CN(C)CCO1 ZINC000739155033 602749758 /nfs/dbraw/zinc/74/97/58/602749758.db2.gz RLQBMOVTHYSQDA-MNOVXSKESA-N -1 0 300.359 -0.289 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000739155117 602752887 /nfs/dbraw/zinc/75/28/87/602752887.db2.gz SARPATBFFXEAGB-IUCAKERBSA-N -1 0 305.356 -0.433 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NCCCN(C)C(=O)[O-] ZINC000739465742 602754895 /nfs/dbraw/zinc/75/48/95/602754895.db2.gz LVHYTIMEHAOSSE-UHFFFAOYSA-N -1 0 310.376 -0.775 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)NCCNC(=O)[O-])CC1 ZINC000739595445 602755639 /nfs/dbraw/zinc/75/56/39/602755639.db2.gz AZSPBVHDFBLNDC-UHFFFAOYSA-N -1 0 315.374 -0.894 20 0 DBADRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)CN1CCCS1(=O)=O ZINC000740620073 602762636 /nfs/dbraw/zinc/76/26/36/602762636.db2.gz GNJZHRPMNQZBAR-ZJUUUORDSA-N -1 0 319.383 -0.426 20 0 DBADRM COCCn1cc(NC(=O)C(=O)NCCN(C)C(=O)[O-])cn1 ZINC000739838327 602765438 /nfs/dbraw/zinc/76/54/38/602765438.db2.gz CSRRKZGXWPNMSF-UHFFFAOYSA-N -1 0 313.314 -0.806 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H](C)N1C(=O)[O-] ZINC000739139767 602765826 /nfs/dbraw/zinc/76/58/26/602765826.db2.gz ZGDQFAJRDQGBMY-AOOOYVTPSA-N -1 0 319.383 -0.379 20 0 DBADRM CN(CCNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000739690909 602767065 /nfs/dbraw/zinc/76/70/65/602767065.db2.gz VRFFQYDLKVLIOS-UHFFFAOYSA-N -1 0 320.305 -0.154 20 0 DBADRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)CN1CCC(=O)NC1=O ZINC000740624225 602768061 /nfs/dbraw/zinc/76/80/61/602768061.db2.gz TVBLVEITUVYXDL-RKDXNWHRSA-N -1 0 312.326 -0.519 20 0 DBADRM C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H](C)N1C(=O)[O-] ZINC000739127625 602771475 /nfs/dbraw/zinc/77/14/75/602771475.db2.gz SJQMHKMQSNTXLA-DTORHVGOSA-N -1 0 307.372 -0.523 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])cc1 ZINC000739743235 602771547 /nfs/dbraw/zinc/77/15/47/602771547.db2.gz BFDITGVUQXZONV-UHFFFAOYSA-N -1 0 322.321 -0.289 20 0 DBADRM O=C(C[C@@H]1CCCN1C(=O)[O-])NCCN1CCCS1(=O)=O ZINC000831335172 602771783 /nfs/dbraw/zinc/77/17/83/602771783.db2.gz QWDLJFPKDREHHE-JTQLQIEISA-N -1 0 319.383 -0.329 20 0 DBADRM CCN(CCNC(=O)C(=O)Nc1ccc(=O)n(CC)c1)C(=O)[O-] ZINC000739419313 602772042 /nfs/dbraw/zinc/77/20/42/602772042.db2.gz NZUMBAMDYVNGID-UHFFFAOYSA-N -1 0 324.337 -0.077 20 0 DBADRM CC(C)[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)NC(=O)[O-] ZINC000738779242 602774191 /nfs/dbraw/zinc/77/41/91/602774191.db2.gz VIJIQRFMANRTOS-QMMMGPOBSA-N -1 0 300.315 -0.711 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@H](NC(=O)[O-])C(C)C ZINC000737768066 602794960 /nfs/dbraw/zinc/79/49/60/602794960.db2.gz NKGXWFRLAUEOTE-LLVKDONJSA-N -1 0 303.359 -0.158 20 0 DBADRM COC1(C(=O)N[C@@H](C)C(=O)N(C)C)CCN(C(=O)[O-])CC1 ZINC000739798827 602795292 /nfs/dbraw/zinc/79/52/92/602795292.db2.gz LEKSURYGFYGIEN-VIFPVBQESA-N -1 0 301.343 -0.262 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000739815049 602795804 /nfs/dbraw/zinc/79/58/04/602795804.db2.gz XSWAPTZNXDNWQH-VIFPVBQESA-N -1 0 319.383 -0.398 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739981983 602803530 /nfs/dbraw/zinc/80/35/30/602803530.db2.gz GKEVFVCIXWNBPQ-QMMMGPOBSA-N -1 0 314.385 -0.907 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NC[C@@H](NC(=O)[O-])C(C)C ZINC000739464472 602804709 /nfs/dbraw/zinc/80/47/09/602804709.db2.gz FMNKLHHWBHGDRD-SECBINFHSA-N -1 0 324.403 -0.483 20 0 DBADRM C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@@H](C)N1C(=O)[O-] ZINC000739129131 602804918 /nfs/dbraw/zinc/80/49/18/602804918.db2.gz LRCPIYNMEPWMMC-HLTSFMKQSA-N -1 0 312.326 -0.426 20 0 DBADRM C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@@H](C)N1C(=O)[O-] ZINC000739129133 602805007 /nfs/dbraw/zinc/80/50/07/602805007.db2.gz LRCPIYNMEPWMMC-IWSPIJDZSA-N -1 0 312.326 -0.426 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOCC2)CC[C@@H]1NC(=O)[O-] ZINC000739189636 602808987 /nfs/dbraw/zinc/80/89/87/602808987.db2.gz IAKAUJIWGBHDGA-ZJUUUORDSA-N -1 0 307.372 -0.459 20 0 DBADRM C[C@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H](C)N1C(=O)[O-] ZINC000739125030 602809293 /nfs/dbraw/zinc/80/92/93/602809293.db2.gz LHFNCSXCGZXINY-IUCAKERBSA-N -1 0 307.372 -0.475 20 0 DBADRM C[C@@H]1CN(C(=O)NCCNS(C)(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739141650 602815660 /nfs/dbraw/zinc/81/56/60/602815660.db2.gz QEUCXXUORZWEJO-BDAKNGLRSA-N -1 0 322.387 -0.777 20 0 DBADRM C[C@H]1CN(C(=O)NCCNS(C)(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739141653 602815721 /nfs/dbraw/zinc/81/57/21/602815721.db2.gz QEUCXXUORZWEJO-DTWKUNHWSA-N -1 0 322.387 -0.777 20 0 DBADRM CCN(CC(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O)C(=O)[O-] ZINC000739397713 602816927 /nfs/dbraw/zinc/81/69/27/602816927.db2.gz CDPZXXBVLIJORD-SECBINFHSA-N -1 0 315.326 -0.604 20 0 DBADRM CCOC(=O)N1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739475683 602821114 /nfs/dbraw/zinc/82/11/14/602821114.db2.gz FTKCWXWPULLWPO-JTQLQIEISA-N -1 0 315.326 -0.334 20 0 DBADRM COc1ccc(C(=O)NCCN2CCN(C(=O)[O-])CC2)nn1 ZINC000739885722 602824476 /nfs/dbraw/zinc/82/44/76/602824476.db2.gz MVOVKCZFFFUISG-UHFFFAOYSA-N -1 0 309.326 -0.489 20 0 DBADRM CN(C(=O)[C@H]1COCCN1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739575630 602829130 /nfs/dbraw/zinc/82/91/30/602829130.db2.gz VZKNKRBYECTNKG-RKDXNWHRSA-N -1 0 306.340 -0.989 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCc1nnc2n1CCCCC2 ZINC000740452262 602836595 /nfs/dbraw/zinc/83/65/95/602836595.db2.gz JURTYIOJIJZAAN-JTQLQIEISA-N -1 0 323.353 -0.001 20 0 DBADRM CC(C)(CCC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)NC(=O)[O-] ZINC000738741366 602838707 /nfs/dbraw/zinc/83/87/07/602838707.db2.gz WXHTWHVHKLHEBY-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1COCCN1C(=O)[O-])N1CCOCC1 ZINC000738912626 602841680 /nfs/dbraw/zinc/84/16/80/602841680.db2.gz CYUJGNXRCSYOAT-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCCN(C(=O)[O-])CC1 ZINC000738799317 602845772 /nfs/dbraw/zinc/84/57/72/602845772.db2.gz YZIZYOZHBPCKKX-SNVBAGLBSA-N -1 0 321.399 -0.228 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)NCCN1C(=O)CNC1=O ZINC000739235614 602850678 /nfs/dbraw/zinc/85/06/78/602850678.db2.gz JAPDOIUCLBJNOJ-CBAPKCEASA-N -1 0 300.315 -0.663 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000738946776 602851218 /nfs/dbraw/zinc/85/12/18/602851218.db2.gz UANCPJXQISEVHR-QWRGUYRKSA-N -1 0 311.342 -0.058 20 0 DBADRM O=C([O-])N[C@@H](C(=O)NCCN1C(=O)CNC1=O)c1ccccc1 ZINC000740687604 602851351 /nfs/dbraw/zinc/85/13/51/602851351.db2.gz ULWSIRHETKDROC-LLVKDONJSA-N -1 0 320.305 -0.337 20 0 DBADRM COCCN(CC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000739816724 602852772 /nfs/dbraw/zinc/85/27/72/602852772.db2.gz ALMWWPOBAONKCA-NXEZZACHSA-N -1 0 301.343 -0.227 20 0 DBADRM CC(C)[C@@H](CNC(=O)N(C)CCS(C)(=O)=O)NC(=O)[O-] ZINC000738778933 602853093 /nfs/dbraw/zinc/85/30/93/602853093.db2.gz UYMCUAWYBOVRDX-SECBINFHSA-N -1 0 309.388 -0.035 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 ZINC000739316057 602854520 /nfs/dbraw/zinc/85/45/20/602854520.db2.gz UGKCCYXXAQPKLJ-VHSXEESVSA-N -1 0 321.399 -0.037 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000739751705 602855297 /nfs/dbraw/zinc/85/52/97/602855297.db2.gz VCOWGIDRPLVSJB-ZJUUUORDSA-N -1 0 319.383 -0.331 20 0 DBADRM COC(=O)N1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739774815 602856270 /nfs/dbraw/zinc/85/62/70/602856270.db2.gz HDDRQRUFTHVXDY-SECBINFHSA-N -1 0 301.299 -0.724 20 0 DBADRM CC[C@@H](C)CS(=O)(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739238905 602862838 /nfs/dbraw/zinc/86/28/38/602862838.db2.gz RLZKHVVZRHFSGX-SNVBAGLBSA-N -1 0 321.399 -0.226 20 0 DBADRM CCCN1C(=O)C(=O)N(CN2CCN(C(=O)[O-])C[C@H]2C)C1=O ZINC000739364034 602863319 /nfs/dbraw/zinc/86/33/19/602863319.db2.gz OZEVPHPVXOPFCO-SECBINFHSA-N -1 0 312.326 -0.171 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000738551763 602867270 /nfs/dbraw/zinc/86/72/70/602867270.db2.gz PBRCOMWLCXTKJB-NWDGAFQWSA-N -1 0 313.354 -0.260 20 0 DBADRM CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739244289 602868126 /nfs/dbraw/zinc/86/81/26/602868126.db2.gz JRRZPAQRUFYNJA-LPEHRKFASA-N -1 0 301.343 -0.215 20 0 DBADRM CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739244285 602868241 /nfs/dbraw/zinc/86/82/41/602868241.db2.gz JRRZPAQRUFYNJA-GUBZILKMSA-N -1 0 301.343 -0.215 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCCNc1ncccn1 ZINC000740426971 602870711 /nfs/dbraw/zinc/87/07/11/602870711.db2.gz GSQNJHFGQDSKNN-JTQLQIEISA-N -1 0 309.326 -0.226 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCN(CC(F)F)CC1 ZINC000740346659 602870797 /nfs/dbraw/zinc/87/07/97/602870797.db2.gz GIOWJDCWXZGDTD-SECBINFHSA-N -1 0 307.297 -0.226 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)Cc1nnnn1C1CC1 ZINC000739683786 602875891 /nfs/dbraw/zinc/87/58/91/602875891.db2.gz FTLZOAHOMVAAJG-UHFFFAOYSA-N -1 0 309.374 -0.265 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCC(C2OCCO2)CC1 ZINC000740344706 602880698 /nfs/dbraw/zinc/88/06/98/602880698.db2.gz INPJCTUMUGSAKJ-LLVKDONJSA-N -1 0 314.338 -0.023 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCC(=O)Nc1cccnc1 ZINC000740380786 602880785 /nfs/dbraw/zinc/88/07/85/602880785.db2.gz ZJGJWSLTURGNBJ-JTQLQIEISA-N -1 0 308.294 -0.485 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCC(=O)Nc1cccnc1 ZINC000740356787 602880812 /nfs/dbraw/zinc/88/08/12/602880812.db2.gz OLIMRIBCQDKTMR-NSHDSACASA-N -1 0 322.321 -0.095 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000740351884 602881838 /nfs/dbraw/zinc/88/18/38/602881838.db2.gz UANVWOXUAWHFQW-WDEREUQCSA-N -1 0 314.338 -0.023 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000740351877 602881951 /nfs/dbraw/zinc/88/19/51/602881951.db2.gz UANVWOXUAWHFQW-MNOVXSKESA-N -1 0 314.338 -0.023 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000740351873 602882143 /nfs/dbraw/zinc/88/21/43/602882143.db2.gz UANVWOXUAWHFQW-GHMZBOCLSA-N -1 0 314.338 -0.023 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])CC2 ZINC000740233361 602883117 /nfs/dbraw/zinc/88/31/17/602883117.db2.gz RLDNQRHMINTFJK-UWVGGRQHSA-N -1 0 309.326 -0.604 20 0 DBADRM C[C@H]1CN(C(=O)NCCN(C(=O)[O-])C2CC2)CCS1(=O)=O ZINC000739135318 602883557 /nfs/dbraw/zinc/88/35/57/602883557.db2.gz MENQSDCJAOBTFG-VIFPVBQESA-N -1 0 319.383 -0.043 20 0 DBADRM O=C([O-])N(CC(=O)N1CCS(=O)(=O)CC1)C[C@H]1CCCO1 ZINC000740493655 602884947 /nfs/dbraw/zinc/88/49/47/602884947.db2.gz YEYKWGKTPQCSJE-SNVBAGLBSA-N -1 0 320.367 -0.598 20 0 DBADRM Cc1nnc(CNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])n1C ZINC000740257643 602892677 /nfs/dbraw/zinc/89/26/77/602892677.db2.gz IIALNEJSODQNNU-SNVBAGLBSA-N -1 0 311.342 -0.101 20 0 DBADRM CC1(C)NC(=O)N(CCOC(=O)[C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000739072382 602895056 /nfs/dbraw/zinc/89/50/56/602895056.db2.gz CSPFCQJFMOSKHP-QMMMGPOBSA-N -1 0 313.310 -0.140 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000827266476 602899275 /nfs/dbraw/zinc/89/92/75/602899275.db2.gz SVOSMUGIDHSZII-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739134076 602900819 /nfs/dbraw/zinc/90/08/19/602900819.db2.gz MEFFSNSMCZGQBQ-NXEZZACHSA-N -1 0 300.311 -0.223 20 0 DBADRM NC(=O)N1CC[C@H](NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC000740333263 602903896 /nfs/dbraw/zinc/90/38/96/602903896.db2.gz SGEUILZLZNKEKP-UWVGGRQHSA-N -1 0 314.342 -0.585 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)[C@@H]2CCN(C(=O)[O-])C2)n1 ZINC000739618754 602904065 /nfs/dbraw/zinc/90/40/65/602904065.db2.gz GEXUGBQYQZZMII-SSDOTTSWSA-N -1 0 310.314 -0.437 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000736341265 602907809 /nfs/dbraw/zinc/90/78/09/602907809.db2.gz RXKMLFJPUTVDJA-QMMMGPOBSA-N -1 0 307.372 -0.427 20 0 DBADRM CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1COCCN1C(=O)[O-])CC2 ZINC000739558782 602908453 /nfs/dbraw/zinc/90/84/53/602908453.db2.gz VBHLJXQCXGLKHG-VHSXEESVSA-N -1 0 323.353 -0.350 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(C(=O)NCCCNC(=O)[O-])c1 ZINC000740343045 602910622 /nfs/dbraw/zinc/91/06/22/602910622.db2.gz NGFUNJBZNDZQNZ-UHFFFAOYSA-N -1 0 319.314 -0.139 20 0 DBADRM C[C@H](CNC(=O)[C@H]1COCCN1C(=O)[O-])CN1CCOCC1 ZINC000738914611 602914971 /nfs/dbraw/zinc/91/49/71/602914971.db2.gz LOCSFHDSVYPFAY-VXGBXAGGSA-N -1 0 315.370 -0.550 20 0 DBADRM O=C([O-])N1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000738645368 602917067 /nfs/dbraw/zinc/91/70/67/602917067.db2.gz XCLMOSAWYPUVRN-SNVBAGLBSA-N -1 0 308.342 -0.012 20 0 DBADRM C[C@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)CCN1C(=O)[O-] ZINC000739169608 602921187 /nfs/dbraw/zinc/92/11/87/602921187.db2.gz SKRDLSUKURUFIW-VIFPVBQESA-N -1 0 324.341 -0.809 20 0 DBADRM CN1CC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)C1=O ZINC000739729344 602924484 /nfs/dbraw/zinc/92/44/84/602924484.db2.gz QKJLBPWNXHHZAQ-QMMMGPOBSA-N -1 0 321.293 -0.543 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H]1NC(=O)[O-] ZINC000739140256 602929316 /nfs/dbraw/zinc/92/93/16/602929316.db2.gz ZBSXVOWWGMISHO-OPRDCNLKSA-N -1 0 319.383 -0.139 20 0 DBADRM C[C@H](CO)[C@H](C)NC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000738938446 602935762 /nfs/dbraw/zinc/93/57/62/602935762.db2.gz HRTZJEWQKQKZQQ-MNOVXSKESA-N -1 0 302.375 -0.402 20 0 DBADRM C[C@@H]1CN(C(=O)CCN2CCCS2(=O)=O)CCN1C(=O)[O-] ZINC000739129309 602949091 /nfs/dbraw/zinc/94/90/91/602949091.db2.gz ZNVHDARBLKSDLS-SNVBAGLBSA-N -1 0 319.383 -0.377 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[C@@H]1NC(=O)[O-] ZINC000739126605 602949305 /nfs/dbraw/zinc/94/93/05/602949305.db2.gz XHFFGUDRNUVVQN-IUCAKERBSA-N -1 0 309.326 -0.137 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CCN(C(=O)[O-])[C@H](C)C2)CC1=O ZINC000739829378 602949704 /nfs/dbraw/zinc/94/97/04/602949704.db2.gz PQGZCASDLZNDAV-MNOVXSKESA-N -1 0 313.354 -0.308 20 0 DBADRM COCCN1C[C@H](C(=O)N2CCN(C(=O)[O-])[C@H](C)C2)CC1=O ZINC000739829377 602949812 /nfs/dbraw/zinc/94/98/12/602949812.db2.gz PQGZCASDLZNDAV-GHMZBOCLSA-N -1 0 313.354 -0.308 20 0 DBADRM COC(=O)Cc1nc(NC(=O)C[C@@H]2CCCN2C(=O)[O-])n[nH]1 ZINC000828699445 602952185 /nfs/dbraw/zinc/95/21/85/602952185.db2.gz GSJJVCRCVIHJPP-ZETCQYMHSA-N -1 0 311.298 -0.009 20 0 DBADRM Cn1cc(C(=O)NC2(CNC(=O)[O-])CCCC2)c(=O)n(C)c1=O ZINC000740282203 602958716 /nfs/dbraw/zinc/95/87/16/602958716.db2.gz YUZBPTDGFNFTMC-UHFFFAOYSA-N -1 0 324.337 -0.606 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C2CCN(C(=O)[O-])CC2)C1 ZINC000738134588 602961771 /nfs/dbraw/zinc/96/17/71/602961771.db2.gz CSBHMPRORFKJGQ-JTQLQIEISA-N -1 0 319.383 -0.474 20 0 DBADRM O=C([O-])N(CC(=O)N1CCO[C@@H](Cn2cncn2)C1)CC1CC1 ZINC000831821703 602961933 /nfs/dbraw/zinc/96/19/33/602961933.db2.gz WTWZCFVBZVZWDF-GFCCVEGCSA-N -1 0 323.353 -0.105 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000736360529 602962912 /nfs/dbraw/zinc/96/29/12/602962912.db2.gz GOEOTXHDRXOGKX-IUCAKERBSA-N -1 0 307.372 -0.571 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000739293657 602963426 /nfs/dbraw/zinc/96/34/26/602963426.db2.gz XXXDXVJQJFCMQV-SKDRFNHKSA-N -1 0 321.399 -0.037 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000739991042 602963547 /nfs/dbraw/zinc/96/35/47/602963547.db2.gz JKBFYFARBULFMZ-JGVFFNPUSA-N -1 0 323.396 -0.811 20 0 DBADRM Cn1cc(C(=O)OC[C@@H]2CCCN2C(=O)[O-])c(=O)n(C)c1=O ZINC000740288023 602971729 /nfs/dbraw/zinc/97/17/29/602971729.db2.gz SXGPASWPUZXSKX-QMMMGPOBSA-N -1 0 311.294 -0.617 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000738860163 602974570 /nfs/dbraw/zinc/97/45/70/602974570.db2.gz LZJBHEZRRPTTLX-UWVGGRQHSA-N -1 0 321.399 -0.133 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)N[C@H]2CCCCN(C(=O)[O-])C2)CCO1 ZINC000740327700 602975745 /nfs/dbraw/zinc/97/57/45/602975745.db2.gz OKXCEZBTSMCTLN-VHSXEESVSA-N -1 0 314.342 -0.585 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000738757685 602975801 /nfs/dbraw/zinc/97/58/01/602975801.db2.gz LAPWRKDLJNGYKM-IUCAKERBSA-N -1 0 321.399 -0.133 20 0 DBADRM O=C([O-])N1CC[C@@H](CN2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000740393142 602979020 /nfs/dbraw/zinc/97/90/20/602979020.db2.gz SSDZODYUIFJFTO-NSHDSACASA-N -1 0 324.381 -0.591 20 0 DBADRM CCS(=O)(=O)N1CCN(C[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739517241 602980446 /nfs/dbraw/zinc/98/04/46/602980446.db2.gz KXCKPZRYRXZWJK-LLVKDONJSA-N -1 0 305.400 -0.046 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)CC[C@H]1NC(=O)NC1=O ZINC000740624137 602980996 /nfs/dbraw/zinc/98/09/96/602980996.db2.gz SHHAZJUFHHMESL-DJLDLDEBSA-N -1 0 312.326 -0.473 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC000740625190 602981062 /nfs/dbraw/zinc/98/10/62/602981062.db2.gz VMHCINVNJFKMMV-UWVGGRQHSA-N -1 0 324.337 -0.521 20 0 DBADRM CN(C(=O)CN1CCC(=O)NC1=O)C1CCN(C(=O)[O-])CC1 ZINC000739571945 602981792 /nfs/dbraw/zinc/98/17/92/602981792.db2.gz KHCZYBZBJXTGLK-UHFFFAOYSA-N -1 0 312.326 -0.471 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000739996372 602991741 /nfs/dbraw/zinc/99/17/41/602991741.db2.gz PJIQFBWLRRHRPR-ZJUUUORDSA-N -1 0 321.399 -0.132 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000739996368 602991864 /nfs/dbraw/zinc/99/18/64/602991864.db2.gz PJIQFBWLRRHRPR-NXEZZACHSA-N -1 0 321.399 -0.132 20 0 DBADRM C[C@H]1CN(C(=O)CC2SC(=N)NC2=O)CCN1C(=O)[O-] ZINC000825984272 602996099 /nfs/dbraw/zinc/99/60/99/602996099.db2.gz WMPZTODJCQHOHR-NKWVEPMBSA-N -1 0 300.340 -0.246 20 0 DBADRM NC(=O)CN1C[C@H](OC(=O)[C@H]2CCCN(C(=O)[O-])C2)CC1=O ZINC000738439195 602998768 /nfs/dbraw/zinc/99/87/68/602998768.db2.gz FDEYMHMEORHCRJ-DTWKUNHWSA-N -1 0 313.310 -0.994 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCS(=O)(=O)C2)CCN1C(=O)[O-] ZINC000825996669 603001586 /nfs/dbraw/zinc/00/15/86/603001586.db2.gz PMDIUTLKTPGYDY-BDAKNGLRSA-N -1 0 305.356 -0.433 20 0 DBADRM COCCN1CCN(C(=O)NCCN(C)C(=O)[O-])C[C@@H]1C ZINC000739834481 603002965 /nfs/dbraw/zinc/00/29/65/603002965.db2.gz OGCRIXBJLOORGK-NSHDSACASA-N -1 0 302.375 -0.042 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000832465635 603003039 /nfs/dbraw/zinc/00/30/39/603003039.db2.gz HERNQCSJTDZEIO-LPEHRKFASA-N -1 0 319.383 -0.091 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])nn1 ZINC000831200270 603006073 /nfs/dbraw/zinc/00/60/73/603006073.db2.gz YNOYIJWXBPSZBF-DTWKUNHWSA-N -1 0 324.341 -0.680 20 0 DBADRM CC(=O)NCC(=O)NCc1nc([C@@H](C)CN(C)C(=O)[O-])no1 ZINC000738551853 603006500 /nfs/dbraw/zinc/00/65/00/603006500.db2.gz QCWHEFYZNSCGNX-ZETCQYMHSA-N -1 0 313.314 -0.465 20 0 DBADRM CC1(C)CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CCCO1 ZINC000739071279 603007223 /nfs/dbraw/zinc/00/72/23/603007223.db2.gz NRGCJCUTTLVNBJ-UHFFFAOYSA-N -1 0 313.354 -0.164 20 0 DBADRM C[C@@H]1CSCCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739187623 603008749 /nfs/dbraw/zinc/00/87/49/603008749.db2.gz HQAYXUKDZXOULM-SECBINFHSA-N -1 0 301.368 -0.228 20 0 DBADRM COC(=O)CC(C)(C)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739760551 603010686 /nfs/dbraw/zinc/01/06/86/603010686.db2.gz LANXSHGROIJFNH-UHFFFAOYSA-N -1 0 315.326 -0.734 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)CCCN(C)C(=O)[O-])CCO1 ZINC000736149251 603013802 /nfs/dbraw/zinc/01/38/02/603013802.db2.gz VZCZYGQZPMCNPI-NSHDSACASA-N -1 0 301.343 -0.260 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000740348085 603014474 /nfs/dbraw/zinc/01/44/74/603014474.db2.gz KVYJJVHZLNSCMN-GHMZBOCLSA-N -1 0 315.395 -0.028 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738943273 603014800 /nfs/dbraw/zinc/01/48/00/603014800.db2.gz GGGDBWYJLOVMNE-SNVBAGLBSA-N -1 0 309.326 -0.790 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)[O-])C2=O)cn1 ZINC000740289412 603015466 /nfs/dbraw/zinc/01/54/66/603015466.db2.gz IASJVOITXQYOME-WDEREUQCSA-N -1 0 321.337 -0.216 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCc3n[nH]cc3C2)C(=O)C1 ZINC000740526567 603016511 /nfs/dbraw/zinc/01/65/11/603016511.db2.gz LCEZJEHBJKBVIC-UHFFFAOYSA-N -1 0 307.310 -0.883 20 0 DBADRM NC(=O)c1ccc(N2CCN(C(=O)CNC(=O)[O-])CC2)cc1 ZINC000738442849 603016764 /nfs/dbraw/zinc/01/67/64/603016764.db2.gz LAHBSPYQFWMBIY-UHFFFAOYSA-N -1 0 306.322 -0.298 20 0 DBADRM CC(C)n1cnnc1CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738887013 603023945 /nfs/dbraw/zinc/02/39/45/603023945.db2.gz CRHQCOKDMWLQLS-UHFFFAOYSA-N -1 0 324.341 -0.703 20 0 DBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCCNC(=O)[O-])C1 ZINC000740339331 603024257 /nfs/dbraw/zinc/02/42/57/603024257.db2.gz YUUBHYUIVQTMGM-VIFPVBQESA-N -1 0 322.387 -0.934 20 0 DBADRM CN(C[C@H]1CCCOC1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739643087 603026417 /nfs/dbraw/zinc/02/64/17/603026417.db2.gz CRKRHYVYKZBLEZ-LLVKDONJSA-N -1 0 313.354 -0.306 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCc2nncn2C2CC2)C(=O)C1 ZINC000740369528 603026842 /nfs/dbraw/zinc/02/68/42/603026842.db2.gz QPUFEWQLPDJVHD-UHFFFAOYSA-N -1 0 322.325 -0.949 20 0 DBADRM CCn1cc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)cn1 ZINC000739565376 603030498 /nfs/dbraw/zinc/03/04/98/603030498.db2.gz AJEHSPCSYHDCBS-UHFFFAOYSA-N -1 0 309.326 -0.659 20 0 DBADRM CC(C)n1ccc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000738888017 603031907 /nfs/dbraw/zinc/03/19/07/603031907.db2.gz ATPINYPTAZFOHN-UHFFFAOYSA-N -1 0 323.353 -0.098 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NC[C@@H]1CCCC[C@H]1O ZINC000740370335 603032825 /nfs/dbraw/zinc/03/28/25/603032825.db2.gz TXKYFJSQZMVVAV-WDEREUQCSA-N -1 0 313.354 -0.524 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)[O-])CCO1 ZINC000739472933 603033291 /nfs/dbraw/zinc/03/32/91/603033291.db2.gz HMPNXJPPKBHGQI-NXEZZACHSA-N -1 0 300.311 -0.081 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)CC(C)(C)NC(=O)[O-])CC1 ZINC000739517412 603035168 /nfs/dbraw/zinc/03/51/68/603035168.db2.gz MNTFBTHYIPETCO-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739515086 603035621 /nfs/dbraw/zinc/03/56/21/603035621.db2.gz LFQLFBBJSXBDAG-UWVGGRQHSA-N -1 0 321.399 -0.132 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000832663027 603038846 /nfs/dbraw/zinc/03/88/46/603038846.db2.gz QGSXWZUTIBTDJN-LBPRGKRZSA-N -1 0 315.370 -0.406 20 0 DBADRM O=C([O-])NC[C@H]1CCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC000740643849 603038925 /nfs/dbraw/zinc/03/89/25/603038925.db2.gz YRGABGRAOVRYNB-SNVBAGLBSA-N -1 0 306.322 -0.073 20 0 DBADRM CC(C)(CC(=O)N1CCC(CS(N)(=O)=O)CC1)NC(=O)[O-] ZINC000738731544 603040979 /nfs/dbraw/zinc/04/09/79/603040979.db2.gz LZIKWQYCGSQXMY-UHFFFAOYSA-N -1 0 321.399 -0.050 20 0 DBADRM Cc1cnn(CCNC(=O)NCCN2CCN(C(=O)[O-])CC2)c1 ZINC000740201480 603046190 /nfs/dbraw/zinc/04/61/90/603046190.db2.gz RJFFXCQNDCKWSU-UHFFFAOYSA-N -1 0 324.385 -0.214 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)CC(C)(C)NC(=O)[O-])CC1 ZINC000739729900 603049644 /nfs/dbraw/zinc/04/96/44/603049644.db2.gz FKODPZZQNDEJHH-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739814538 603050824 /nfs/dbraw/zinc/05/08/24/603050824.db2.gz SRPXVJMPMAIQGR-MNOVXSKESA-N -1 0 315.370 -0.014 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)CC(C)(C)NC(=O)[O-])C1 ZINC000739750244 603051706 /nfs/dbraw/zinc/05/17/06/603051706.db2.gz MXUMKGPGGZFMDL-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])n[nH]1 ZINC000739767915 603052246 /nfs/dbraw/zinc/05/22/46/603052246.db2.gz BWPICGIBBVNBBM-BQBZGAKWSA-N -1 0 311.298 -0.105 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])n[nH]1 ZINC000739767916 603052283 /nfs/dbraw/zinc/05/22/83/603052283.db2.gz BWPICGIBBVNBBM-NKWVEPMBSA-N -1 0 311.298 -0.105 20 0 DBADRM COC1CN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C1 ZINC000739804601 603052432 /nfs/dbraw/zinc/05/24/32/603052432.db2.gz IAFXZBGIUXORMN-UHFFFAOYSA-N -1 0 312.326 -0.661 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CCN(C(=O)[O-])[C@H](C)C2)n1 ZINC000739781213 603053911 /nfs/dbraw/zinc/05/39/11/603053911.db2.gz SQHGCJHRXJBXCN-SECBINFHSA-N -1 0 310.310 -0.329 20 0 DBADRM CCCN1C(=O)C(=O)N(CN2CCN(C(=O)[O-])[C@@H](C)C2)C1=O ZINC000739361955 603053930 /nfs/dbraw/zinc/05/39/30/603053930.db2.gz IKLFFEULGJSEKU-VIFPVBQESA-N -1 0 312.326 -0.171 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])n[nH]1 ZINC000739767917 603054534 /nfs/dbraw/zinc/05/45/34/603054534.db2.gz BWPICGIBBVNBBM-RNFRBKRXSA-N -1 0 311.298 -0.105 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000740578206 603056257 /nfs/dbraw/zinc/05/62/57/603056257.db2.gz SPDTYBPWSQNHSA-SDDRHHMPSA-N -1 0 323.353 -0.058 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@@H](C)NC(=O)[O-])CC2)n1C ZINC000740259878 603057077 /nfs/dbraw/zinc/05/70/77/603057077.db2.gz UHDLMFGEJQYHMC-SECBINFHSA-N -1 0 310.358 -0.576 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000736365699 603058856 /nfs/dbraw/zinc/05/88/56/603058856.db2.gz SBJAJFOFEJKUHT-MNOVXSKESA-N -1 0 311.342 -0.202 20 0 DBADRM O=C([O-])N1CCC[C@H]1C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000740347656 603061137 /nfs/dbraw/zinc/06/11/37/603061137.db2.gz PKTWIEZUSBYGDK-MNOVXSKESA-N -1 0 309.326 -0.352 20 0 DBADRM CCN(CC)C(=O)CN(C)C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739404091 603061844 /nfs/dbraw/zinc/06/18/44/603061844.db2.gz UKZLFTYWEWVJCD-NXEZZACHSA-N -1 0 301.343 -0.574 20 0 DBADRM CCN(CC)C(=O)CN(C)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739404092 603062690 /nfs/dbraw/zinc/06/26/90/603062690.db2.gz UKZLFTYWEWVJCD-UWVGGRQHSA-N -1 0 301.343 -0.574 20 0 DBADRM CCN(CC)C(=O)CN(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739404099 603062809 /nfs/dbraw/zinc/06/28/09/603062809.db2.gz UKZLFTYWEWVJCD-ZJUUUORDSA-N -1 0 301.343 -0.574 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)S(=O)(=O)[C@@H]1CCOC1 ZINC000739683373 603064181 /nfs/dbraw/zinc/06/41/81/603064181.db2.gz ATTDPLZGXABZAL-LLVKDONJSA-N -1 0 321.399 -0.668 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCNC(=O)c1ccccc1 ZINC000740439399 603065178 /nfs/dbraw/zinc/06/51/78/603065178.db2.gz LMLVDPGKJZYBPL-RYUDHWBXSA-N -1 0 321.333 -0.354 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCNC(=O)c1ccccc1 ZINC000740439401 603065497 /nfs/dbraw/zinc/06/54/97/603065497.db2.gz LMLVDPGKJZYBPL-VXGBXAGGSA-N -1 0 321.333 -0.354 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000738761444 603066106 /nfs/dbraw/zinc/06/61/06/603066106.db2.gz BTKKWQHDVGOOJW-GHMZBOCLSA-N -1 0 313.354 -0.574 20 0 DBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)NCCNC(=O)[O-])c1 ZINC000740341998 603068515 /nfs/dbraw/zinc/06/85/15/603068515.db2.gz XPNJYWFQRYASSN-UHFFFAOYSA-N -1 0 320.302 -0.138 20 0 DBADRM CCN(CC(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O)C(=O)[O-] ZINC000827001943 603070500 /nfs/dbraw/zinc/07/05/00/603070500.db2.gz GIPIZWGTCXSBSU-SNVBAGLBSA-N -1 0 323.353 -0.050 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCC(=O)N1CCCCC1 ZINC000740420177 603071160 /nfs/dbraw/zinc/07/11/60/603071160.db2.gz YFJMRXFFUBENQQ-MNOVXSKESA-N -1 0 313.354 -0.382 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCC(=O)NCc1ccco1 ZINC000740376553 603071369 /nfs/dbraw/zinc/07/13/69/603071369.db2.gz GLLJGIRSJIYJBZ-SCZZXKLOSA-N -1 0 311.294 -0.875 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739245452 603072163 /nfs/dbraw/zinc/07/21/63/603072163.db2.gz NDRYGUKAYYFAPF-AEJSXWLSSA-N -1 0 301.343 -0.479 20 0 DBADRM CC(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000738511588 603073577 /nfs/dbraw/zinc/07/35/77/603073577.db2.gz NSRGTJAGCDWQNI-RYUDHWBXSA-N -1 0 313.354 -0.431 20 0 DBADRM C[C@@H]1CN(C(=O)COCCNC(=O)[O-])C[C@H]1N1CCOCC1 ZINC000739137365 603073859 /nfs/dbraw/zinc/07/38/59/603073859.db2.gz UPWJGKPNOYXBQO-VXGBXAGGSA-N -1 0 315.370 -0.550 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCN(CC(F)F)CC1 ZINC000740342032 603075472 /nfs/dbraw/zinc/07/54/72/603075472.db2.gz QCQOTGSMLUTHIZ-IUCAKERBSA-N -1 0 307.297 -0.491 20 0 DBADRM CCN(CCNC(=O)CS(=O)(=O)N(CC)CC)C(=O)[O-] ZINC000739420699 603078728 /nfs/dbraw/zinc/07/87/28/603078728.db2.gz MPFUKUNTUIVLEC-UHFFFAOYSA-N -1 0 309.388 -0.226 20 0 DBADRM NC(=O)c1cc([C@H]2CCCN(C(=O)CCNC(=O)[O-])C2)n[nH]1 ZINC000738441609 603083114 /nfs/dbraw/zinc/08/31/14/603083114.db2.gz AYIGVUNYODQNTN-QMMMGPOBSA-N -1 0 309.326 -0.128 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)NCCN(CC)C(=O)[O-])CCO1 ZINC000739471787 603084509 /nfs/dbraw/zinc/08/45/09/603084509.db2.gz DQZOOCXEEUTQIX-SNVBAGLBSA-N -1 0 317.342 -0.040 20 0 DBADRM CN1CCO[C@@H](CNC(=O)N[C@H](CNC(=O)[O-])C2CC2)C1 ZINC000739742638 603084802 /nfs/dbraw/zinc/08/48/02/603084802.db2.gz KJPMCUKWZMGKRN-WDEREUQCSA-N -1 0 300.359 -0.338 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NS(=O)(=O)N1CCOCC1 ZINC000738810948 603084861 /nfs/dbraw/zinc/08/48/61/603084861.db2.gz KPUZPBVVNJQPMW-JTQLQIEISA-N -1 0 309.388 -0.165 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)n[nH]1 ZINC000738033166 603087214 /nfs/dbraw/zinc/08/72/14/603087214.db2.gz XAAQKOSKOKHPNI-ZETCQYMHSA-N -1 0 311.298 -0.151 20 0 DBADRM COCCN(CC(=O)N[C@H](C(N)=O)c1ccccc1)C(=O)[O-] ZINC000739822067 603090327 /nfs/dbraw/zinc/09/03/27/603090327.db2.gz IINJDQLYVCUZMW-LBPRGKRZSA-N -1 0 309.322 -0.044 20 0 DBADRM COCCN(CC(=O)NC1(C(N)=O)CCCCC1)C(=O)[O-] ZINC000739818589 603092136 /nfs/dbraw/zinc/09/21/36/603092136.db2.gz JTZXKIBRWOLMNG-UHFFFAOYSA-N -1 0 301.343 -0.083 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)CN(CCOC)C(=O)[O-])cn1 ZINC000739751090 603094432 /nfs/dbraw/zinc/09/44/32/603094432.db2.gz ZXUFYYYMIOVVDG-UHFFFAOYSA-N -1 0 313.314 -0.806 20 0 DBADRM C[C@](CNC(=O)[O-])(NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)C1CC1 ZINC000738924371 603096652 /nfs/dbraw/zinc/09/66/52/603096652.db2.gz IREIRCKDMFXBBH-GFCCVEGCSA-N -1 0 311.298 -0.364 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)NCCCN(C)C(=O)[O-] ZINC000739190294 603098883 /nfs/dbraw/zinc/09/88/83/603098883.db2.gz OBDNHVKPHQVPSV-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NC[C@H](O)c2ccco2)C(=O)C1 ZINC000740370626 603102228 /nfs/dbraw/zinc/10/22/28/603102228.db2.gz WXGPPBXYCXNXGD-VIFPVBQESA-N -1 0 311.294 -0.749 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)[O-])CC2)c[nH]1 ZINC000738048315 603105971 /nfs/dbraw/zinc/10/59/71/603105971.db2.gz JQTOIQITKQCKHS-UHFFFAOYSA-N -1 0 317.323 -0.214 20 0 DBADRM CNC(=O)[C@@H]1CCCCN1C(=O)CN(CCOC)C(=O)[O-] ZINC000739739124 603106684 /nfs/dbraw/zinc/10/66/84/603106684.db2.gz QKMOILIEARYVDC-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM COCCN(CC(=O)N1C[C@H](C(N)=O)CC[C@H]1C)C(=O)[O-] ZINC000739815181 603106780 /nfs/dbraw/zinc/10/67/80/603106780.db2.gz BEISUGULNWACEY-NXEZZACHSA-N -1 0 301.343 -0.275 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCN1CCOCC1 ZINC000739202472 603107033 /nfs/dbraw/zinc/10/70/33/603107033.db2.gz OHJLOAAAHZSZGT-WDEREUQCSA-N -1 0 315.370 -0.062 20 0 DBADRM COCCN(CC(=O)N1CCC[C@@H](CNC(N)=O)C1)C(=O)[O-] ZINC000739818668 603107108 /nfs/dbraw/zinc/10/71/08/603107108.db2.gz ZHSKNFBHNSCZGJ-JTQLQIEISA-N -1 0 316.358 -0.480 20 0 DBADRM COCCN(CC(=O)N1CCC[C@H](CNC(N)=O)C1)C(=O)[O-] ZINC000739818672 603107584 /nfs/dbraw/zinc/10/75/84/603107584.db2.gz ZHSKNFBHNSCZGJ-SNVBAGLBSA-N -1 0 316.358 -0.480 20 0 DBADRM CCCNC(=O)[C@@H](C)OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739361984 603107652 /nfs/dbraw/zinc/10/76/52/603107652.db2.gz BTPTZPQZBRSGCI-SECBINFHSA-N -1 0 315.326 -0.734 20 0 DBADRM COCCN(CC(=O)N[C@@H](C)CN1CCCC1=O)C(=O)[O-] ZINC000739821786 603108773 /nfs/dbraw/zinc/10/87/73/603108773.db2.gz GBOYZGQIRDPHSD-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM O=C([O-])N1CCN(CC(=O)OCCn2ccccc2=O)C(=O)C1 ZINC000740374148 603109776 /nfs/dbraw/zinc/10/97/76/603109776.db2.gz QCUGXJZCVVUGTO-UHFFFAOYSA-N -1 0 323.305 -0.786 20 0 DBADRM COc1ccnc(COC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000739986934 603110975 /nfs/dbraw/zinc/11/09/75/603110975.db2.gz ZNXNNXMTDTVSGC-UHFFFAOYSA-N -1 0 323.305 -0.044 20 0 DBADRM CC(C)(C(=O)OCCOCCO)N1CCN(C(=O)[O-])CC1 ZINC000738666550 603111107 /nfs/dbraw/zinc/11/11/07/603111107.db2.gz SEVIIDVUZOBFIS-UHFFFAOYSA-N -1 0 304.343 -0.387 20 0 DBADRM COCCN(CC(=O)N1CCN(C[C@@H](C)O)CC1)C(=O)[O-] ZINC000739815621 603111797 /nfs/dbraw/zinc/11/17/97/603111797.db2.gz DSGUWDOGCKEFAF-LLVKDONJSA-N -1 0 303.359 -0.862 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000740400421 603113799 /nfs/dbraw/zinc/11/37/99/603113799.db2.gz YEKVUJKMHOJFMQ-JGVFFNPUSA-N -1 0 308.381 -0.267 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCC[C@H]2CNC(=O)[O-])S1 ZINC000831240010 603114018 /nfs/dbraw/zinc/11/40/18/603114018.db2.gz LJLQQPUXIPEVSF-NKWVEPMBSA-N -1 0 300.340 -0.199 20 0 DBADRM CN(CCCC(=O)N1CCC[C@H]1CS(N)(=O)=O)C(=O)[O-] ZINC000737419781 603116143 /nfs/dbraw/zinc/11/61/43/603116143.db2.gz YZICBIADIWYQCB-VIFPVBQESA-N -1 0 307.372 -0.344 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCN(C(N)=O)C1 ZINC000740014413 603116479 /nfs/dbraw/zinc/11/64/79/603116479.db2.gz AWIZLYBGAOURIJ-HTQZYQBOSA-N -1 0 304.372 -0.355 20 0 DBADRM NC(=O)N1CC[C@@H](NC(=O)c2csc(CNC(=O)[O-])n2)C1 ZINC000740331129 603116670 /nfs/dbraw/zinc/11/66/70/603116670.db2.gz DXFXTIVAMHVESC-ZCFIWIBFSA-N -1 0 313.339 -0.207 20 0 DBADRM CC(C)[C@H](CNS(=O)(=O)CCS(C)(=O)=O)NC(=O)[O-] ZINC000824122910 603118397 /nfs/dbraw/zinc/11/83/97/603118397.db2.gz KHWCDFSKUPDWNL-QMMMGPOBSA-N -1 0 316.401 -0.757 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)OCCCN1C(=O)CNC1=O ZINC000740582338 603125244 /nfs/dbraw/zinc/12/52/44/603125244.db2.gz QZHFVLSNNLFSOA-BDAKNGLRSA-N -1 0 313.310 -0.092 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000828971365 603130021 /nfs/dbraw/zinc/13/00/21/603130021.db2.gz WXWNICORFQDMAH-UWVGGRQHSA-N -1 0 309.388 -0.165 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CCO1 ZINC000739757533 603133177 /nfs/dbraw/zinc/13/31/77/603133177.db2.gz YMGOIRJZYOQKNO-VHSXEESVSA-N -1 0 315.326 -0.384 20 0 DBADRM C[C@H](NC(=O)COC(=O)CC(C)(C)NC(=O)[O-])C(=O)N(C)C ZINC000738964575 603134099 /nfs/dbraw/zinc/13/40/99/603134099.db2.gz CVBDDVIIBSTTFO-QMMMGPOBSA-N -1 0 317.342 -0.441 20 0 DBADRM CNC(=O)c1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000739744631 603134163 /nfs/dbraw/zinc/13/41/63/603134163.db2.gz HCKTWLYJRWXFRR-NWDGAFQWSA-N -1 0 321.333 -0.224 20 0 DBADRM O=C([O-])NC[C@@H]1CCCC[C@@H]1NS(=O)(=O)N1CCOCC1 ZINC000832511824 603136964 /nfs/dbraw/zinc/13/69/64/603136964.db2.gz ANIPJZDGLSQYDD-QWRGUYRKSA-N -1 0 321.399 -0.021 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N[C@H](CNC(=O)[O-])C2CC2)cn1 ZINC000740233427 603139607 /nfs/dbraw/zinc/13/96/07/603139607.db2.gz VKFDPIJBVMJBNB-SNVBAGLBSA-N -1 0 307.310 -0.114 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NCc1ccco1 ZINC000740379950 603150726 /nfs/dbraw/zinc/15/07/26/603150726.db2.gz VJLCBVREIYYKAG-WPRPVWTQSA-N -1 0 312.278 -0.448 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)NC2CCC(NC(=O)[O-])CC2)CCO1 ZINC000740327151 603154520 /nfs/dbraw/zinc/15/45/20/603154520.db2.gz KQRQAOGRMCGPPF-UDNWOFFPSA-N -1 0 314.342 -0.539 20 0 DBADRM CC(C)(CC(=O)O[C@@H]1CC(=O)N(CC(N)=O)C1)NC(=O)[O-] ZINC000738739746 603162365 /nfs/dbraw/zinc/16/23/65/603162365.db2.gz XLJYOWBQCYPWKL-SSDOTTSWSA-N -1 0 301.299 -0.948 20 0 DBADRM O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])NC1CCCC1 ZINC000740378137 603162828 /nfs/dbraw/zinc/16/28/28/603162828.db2.gz OCJLYZWTPBFEFF-ZJUUUORDSA-N -1 0 300.311 -0.298 20 0 DBADRM O=C(COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])NC1CCCC1 ZINC000740378133 603162832 /nfs/dbraw/zinc/16/28/32/603162832.db2.gz OCJLYZWTPBFEFF-VHSXEESVSA-N -1 0 300.311 -0.298 20 0 DBADRM O=C(COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])NC1CCCC1 ZINC000740378129 603162996 /nfs/dbraw/zinc/16/29/96/603162996.db2.gz OCJLYZWTPBFEFF-UWVGGRQHSA-N -1 0 300.311 -0.298 20 0 DBADRM Cc1cc(NC(=O)COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])no1 ZINC000740083889 603163004 /nfs/dbraw/zinc/16/30/04/603163004.db2.gz HTIWNOVFSNGQCW-JGVFFNPUSA-N -1 0 313.266 -0.422 20 0 DBADRM COCCS(=O)(=O)CC(=O)OC[C@@H]1CCN(C(=O)[O-])C1 ZINC000739838339 603163466 /nfs/dbraw/zinc/16/34/66/603163466.db2.gz QGJVOTBURCVFQC-SECBINFHSA-N -1 0 309.340 -0.409 20 0 DBADRM CN(C)C(=O)CNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1 ZINC000739597189 603164121 /nfs/dbraw/zinc/16/41/21/603164121.db2.gz YLJBXWRKQJXNDI-UHFFFAOYSA-N -1 0 305.334 -0.004 20 0 DBADRM CC(C)(C(=O)NCCS(C)(=O)=O)N1CCN(C(=O)[O-])CC1 ZINC000738660313 603169986 /nfs/dbraw/zinc/16/99/86/603169986.db2.gz ZAJLJTKOOIRGEM-UHFFFAOYSA-N -1 0 321.399 -0.779 20 0 DBADRM CS(=O)(=O)CCNC(=S)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000738153757 603172880 /nfs/dbraw/zinc/17/28/80/603172880.db2.gz ZZZNCNNGXUJHQC-QMMMGPOBSA-N -1 0 309.413 -0.363 20 0 DBADRM Cn1cc(C(=O)OC[C@@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740286078 603174074 /nfs/dbraw/zinc/17/40/74/603174074.db2.gz BJWWGFGMGBJKIQ-MRVPVSSYSA-N -1 0 311.294 -0.759 20 0 DBADRM COCCN1C[C@@H](C(=O)N(C)CCCNC(=O)[O-])CC1=O ZINC000739831080 603183739 /nfs/dbraw/zinc/18/37/39/603183739.db2.gz YFPRNQSZGLMMAZ-JTQLQIEISA-N -1 0 301.343 -0.403 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCc1nnc2n1CCCC2 ZINC000740452766 603190406 /nfs/dbraw/zinc/19/04/06/603190406.db2.gz QSLPZNWDUNRSNX-BDAKNGLRSA-N -1 0 309.326 -0.656 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)[C@@H]2CSC(=O)N2)CC1 ZINC000740731140 603195454 /nfs/dbraw/zinc/19/54/54/603195454.db2.gz CGANKLCPUDOKLN-VIFPVBQESA-N -1 0 316.383 -0.387 20 0 DBADRM CC(C)C[C@](C)(CNC(=O)[O-])NC(=O)CN1CC(=O)NC1=O ZINC000738806498 603199563 /nfs/dbraw/zinc/19/95/63/603199563.db2.gz QBKSOBJUGFCSOV-CYBMUJFWSA-N -1 0 314.342 -0.273 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000737825857 603199683 /nfs/dbraw/zinc/19/96/83/603199683.db2.gz MRPOBUIRLIUVFL-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000825185536 603204557 /nfs/dbraw/zinc/20/45/57/603204557.db2.gz FFPREXQSWQACDH-SFYZADRCSA-N -1 0 316.339 -0.163 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NCCN2C(=O)CNC2=O)C1 ZINC000740570873 603206187 /nfs/dbraw/zinc/20/61/87/603206187.db2.gz SGXHKBJTPAHTTG-DTWKUNHWSA-N -1 0 312.326 -0.519 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000825851827 603206478 /nfs/dbraw/zinc/20/64/78/603206478.db2.gz JNGOPOTXBWAQKQ-NQMVMOMDSA-N -1 0 309.326 -0.314 20 0 DBADRM C[C@H]1C[C@H](NC(=O)CCNC(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825794251 603206494 /nfs/dbraw/zinc/20/64/94/603206494.db2.gz ICHFWMVPQUOULB-WPRPVWTQSA-N -1 0 309.326 -0.312 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000825851829 603206628 /nfs/dbraw/zinc/20/66/28/603206628.db2.gz JNGOPOTXBWAQKQ-XKSSXDPKSA-N -1 0 309.326 -0.314 20 0 DBADRM NC(=O)NCCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[O-] ZINC000740333570 603209455 /nfs/dbraw/zinc/20/94/55/603209455.db2.gz RFVDQLTUOMODRW-LLVKDONJSA-N -1 0 306.322 -0.124 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000738705801 603221112 /nfs/dbraw/zinc/22/11/12/603221112.db2.gz ZZPWGUFXWOIHFA-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739984140 603224878 /nfs/dbraw/zinc/22/48/78/603224878.db2.gz NJMACYMWNJQXAH-UWVGGRQHSA-N -1 0 322.383 -0.400 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739984142 603224885 /nfs/dbraw/zinc/22/48/85/603224885.db2.gz NJMACYMWNJQXAH-ZJUUUORDSA-N -1 0 322.383 -0.400 20 0 DBADRM O=C([O-])NCCOCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000740666448 603225173 /nfs/dbraw/zinc/22/51/73/603225173.db2.gz FQNHDLFXVQEJGX-NSHDSACASA-N -1 0 323.353 -0.154 20 0 DBADRM C[C@@H](CC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)NC(=O)[O-] ZINC000824592989 603230921 /nfs/dbraw/zinc/23/09/21/603230921.db2.gz WQBSBYIWXPCTOB-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM Cn1c(N[C@@H]2CCCN(C(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000739014919 603232948 /nfs/dbraw/zinc/23/29/48/603232948.db2.gz YAQFZJHNTCYBDP-SSDOTTSWSA-N -1 0 322.325 -0.073 20 0 DBADRM COCCNC(=O)CNC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739831826 603234271 /nfs/dbraw/zinc/23/42/71/603234271.db2.gz PNCWRXAIVZAUOB-VHSXEESVSA-N -1 0 301.343 -0.308 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N1CCC[C@H]1CNC(=O)[O-] ZINC000829687833 603238159 /nfs/dbraw/zinc/23/81/59/603238159.db2.gz NXKGGOKPHDLRHO-QMMMGPOBSA-N -1 0 324.428 -0.858 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)CCCN1C(=O)CN(C)C1=O ZINC000739672953 603240387 /nfs/dbraw/zinc/24/03/87/603240387.db2.gz XPQHZGJETGYEFB-UHFFFAOYSA-N -1 0 314.342 -0.223 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739760954 603240670 /nfs/dbraw/zinc/24/06/70/603240670.db2.gz ICOSBTFACLVYEW-QMMMGPOBSA-N -1 0 302.283 -0.839 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000739323636 603244040 /nfs/dbraw/zinc/24/40/40/603244040.db2.gz ARHSVMGJGZQAMC-ZCFIWIBFSA-N -1 0 320.327 -0.011 20 0 DBADRM NS(=O)(=O)CCCNC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000740343126 603246292 /nfs/dbraw/zinc/24/62/92/603246292.db2.gz UKBFGRWMNARACK-IUCAKERBSA-N -1 0 307.372 -0.392 20 0 DBADRM CN(C)C(=O)[C@H]1CSCN1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739597050 603246604 /nfs/dbraw/zinc/24/66/04/603246604.db2.gz PGTWSHPOQDQECD-DTWKUNHWSA-N -1 0 301.368 -0.024 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@H]3CCN(C(=O)[O-])C3)C2=O)cn1 ZINC000740291117 603252991 /nfs/dbraw/zinc/25/29/91/603252991.db2.gz PGYVOIFYSXTKQP-ONGXEEELSA-N -1 0 321.337 -0.359 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)[C@H]3CCN(C(=O)[O-])C3)C2=O)cn1 ZINC000740291099 603253097 /nfs/dbraw/zinc/25/30/97/603253097.db2.gz PGYVOIFYSXTKQP-GXSJLCMTSA-N -1 0 321.337 -0.359 20 0 DBADRM CN1CCO[C@@H](CNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000737530324 603258244 /nfs/dbraw/zinc/25/82/44/603258244.db2.gz TYODUCNNJKFTEP-QWRGUYRKSA-N -1 0 300.359 -0.241 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739664988 603259263 /nfs/dbraw/zinc/25/92/63/603259263.db2.gz VMFKHANYARYZGD-VHSXEESVSA-N -1 0 304.368 -0.121 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)C[C@H]2CCCN2C(=O)[O-])CC1 ZINC000829683470 603261670 /nfs/dbraw/zinc/26/16/70/603261670.db2.gz SLRTUBNXZRKZNB-SNVBAGLBSA-N -1 0 319.383 -0.377 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC000740561243 603271313 /nfs/dbraw/zinc/27/13/13/603271313.db2.gz CEQPWYSOIOTUNG-QIBSRJKCSA-N -1 0 324.337 -0.377 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000740561241 603271358 /nfs/dbraw/zinc/27/13/58/603271358.db2.gz CEQPWYSOIOTUNG-ATEUNZGCSA-N -1 0 324.337 -0.377 20 0 DBADRM CC(C)(C(=O)O[C@H]1CCOC1=O)N1CCN(C(=O)[O-])CC1 ZINC000738662318 603278837 /nfs/dbraw/zinc/27/88/37/603278837.db2.gz PRCUDSUFHOGYNQ-VIFPVBQESA-N -1 0 300.311 -0.081 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)C1CCN(C(=O)[O-])CC1 ZINC000738126119 603284777 /nfs/dbraw/zinc/28/47/77/603284777.db2.gz ARAVGHDFYRXLCN-UHFFFAOYSA-N -1 0 322.383 -0.446 20 0 DBADRM CCN(CCCNC(=O)[C@H]1CCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000739418829 603284773 /nfs/dbraw/zinc/28/47/73/603284773.db2.gz YEGRVTSOOGYKAQ-JTQLQIEISA-N -1 0 321.399 -0.226 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739806207 603289443 /nfs/dbraw/zinc/28/94/43/603289443.db2.gz CSHLEANTZYILPZ-SNVBAGLBSA-N -1 0 301.343 -0.403 20 0 DBADRM O=C([O-])N1CC[C@@H](C(=O)NCCC(=O)Nc2ccncc2)C1 ZINC000740355748 603295463 /nfs/dbraw/zinc/29/54/63/603295463.db2.gz BGSYIQWUPNYJEH-SNVBAGLBSA-N -1 0 306.322 -0.052 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736606358 603298721 /nfs/dbraw/zinc/29/87/21/603298721.db2.gz AIMVSEKNAYPQNP-DTWKUNHWSA-N -1 0 307.372 -0.139 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000740343120 603300546 /nfs/dbraw/zinc/30/05/46/603300546.db2.gz UHGMFZRGJRXQFP-JTQLQIEISA-N -1 0 319.383 -0.487 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000739160050 603301998 /nfs/dbraw/zinc/30/19/98/603301998.db2.gz LPRUSQYTCKLUHK-RKDXNWHRSA-N -1 0 300.315 -0.976 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])c1=O ZINC000740275944 603303209 /nfs/dbraw/zinc/30/32/09/603303209.db2.gz YSDHYGWWRFNAKK-ZJUUUORDSA-N -1 0 324.337 -0.901 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000827471827 603304851 /nfs/dbraw/zinc/30/48/51/603304851.db2.gz MPDVPMDQWZHFLH-VIFPVBQESA-N -1 0 307.372 -0.137 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NC[C@@H](O)C2CCOCC2)C1 ZINC000740406438 603308665 /nfs/dbraw/zinc/30/86/65/603308665.db2.gz XIHIDXGZHKITDV-GHMZBOCLSA-N -1 0 301.343 -0.175 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000739674130 603310354 /nfs/dbraw/zinc/31/03/54/603310354.db2.gz BZWDPCNAIQCWHH-UHFFFAOYSA-N -1 0 318.355 -0.598 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739732676 603313384 /nfs/dbraw/zinc/31/33/84/603313384.db2.gz ZWVYDARVALBESZ-LLVKDONJSA-N -1 0 312.370 -0.733 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@H]3CCN(C(=O)[O-])C3)CC2)[nH]1 ZINC000740218044 603317558 /nfs/dbraw/zinc/31/75/58/603317558.db2.gz FYMTZSGGNWQQDD-NSHDSACASA-N -1 0 322.369 -0.243 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000827481203 603317846 /nfs/dbraw/zinc/31/78/46/603317846.db2.gz TXBABASAORFXJH-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(C[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739615397 603323604 /nfs/dbraw/zinc/32/36/04/603323604.db2.gz UMPHUJNLISCLAM-LLVKDONJSA-N -1 0 320.415 -0.590 20 0 DBADRM C[C@H](CC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)NC(=O)[O-] ZINC000824582119 603325549 /nfs/dbraw/zinc/32/55/49/603325549.db2.gz NWNJMKOMTYPIPL-BDAKNGLRSA-N -1 0 307.372 -0.427 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000823562424 603330966 /nfs/dbraw/zinc/33/09/66/603330966.db2.gz VATTVDZIEDCHQL-JTQLQIEISA-N -1 0 300.359 -0.687 20 0 DBADRM C[C@H](CC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)NC(=O)[O-] ZINC000824584117 603340832 /nfs/dbraw/zinc/34/08/32/603340832.db2.gz XGPPRNLJTQNDIW-RKDXNWHRSA-N -1 0 322.387 -0.936 20 0 DBADRM Cn1cccc(NC(=O)NCCN2CCN(C(=O)[O-])CC2)c1=O ZINC000831026968 603342167 /nfs/dbraw/zinc/34/21/67/603342167.db2.gz SGEIFDIJZOPWLO-UHFFFAOYSA-N -1 0 323.353 -0.198 20 0 DBADRM COCC(=O)N1CCN(C(=O)C[C@H]2CCCN2C(=O)[O-])CC1 ZINC000828880585 603348709 /nfs/dbraw/zinc/34/87/09/603348709.db2.gz MFTWKAHWCSBPBK-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCCn2cccn2)CC1 ZINC000740447979 603357648 /nfs/dbraw/zinc/35/76/48/603357648.db2.gz UDLSZZCVEKHXQF-UHFFFAOYSA-N -1 0 324.341 -0.996 20 0 DBADRM CN(C)C(=O)CNC(=S)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000739598438 603375493 /nfs/dbraw/zinc/37/54/93/603375493.db2.gz ZZTMAJHXOPTCIU-IUCAKERBSA-N -1 0 302.400 -0.025 20 0 DBADRM NC(=O)C1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000740328602 603381181 /nfs/dbraw/zinc/38/11/81/603381181.db2.gz RUWANFZZMQBGDM-LLVKDONJSA-N -1 0 313.354 -0.131 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])c(OC)c1 ZINC000739741169 603382604 /nfs/dbraw/zinc/38/26/04/603382604.db2.gz YHLBBIPVRMPZQR-UHFFFAOYSA-N -1 0 324.293 -0.414 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])NCCNC(=O)C1CC1 ZINC000740363527 603384720 /nfs/dbraw/zinc/38/47/20/603384720.db2.gz JDJXXSSRFUHZAY-NSHDSACASA-N -1 0 313.354 -0.212 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC000740363673 603387236 /nfs/dbraw/zinc/38/72/36/603387236.db2.gz KCCBNNLOFNGQRS-NXEZZACHSA-N -1 0 320.367 -0.551 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000739662613 603388669 /nfs/dbraw/zinc/38/86/69/603388669.db2.gz BINPPHQBXBDZHD-IUCAKERBSA-N -1 0 322.408 -0.068 20 0 DBADRM Cn1c(N2CCC(NC(=O)[O-])CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000740281321 603401206 /nfs/dbraw/zinc/40/12/06/603401206.db2.gz FWKJDEYAVFQKLA-UHFFFAOYSA-N -1 0 322.325 -0.391 20 0 DBADRM C[C@@H](CC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)NC(=O)[O-] ZINC000824621823 603406177 /nfs/dbraw/zinc/40/61/77/603406177.db2.gz HTLSTMREWVIFIW-IUCAKERBSA-N -1 0 307.372 -0.427 20 0 DBADRM Cn1ccc(NC(=O)C(=O)NC[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000740293170 603406364 /nfs/dbraw/zinc/40/63/64/603406364.db2.gz LXOQEXPGRAVIPC-SECBINFHSA-N -1 0 309.326 -0.135 20 0 DBADRM CC(C)[C@@H](CNC(=O)CN1CCC(=O)NC1=O)NC(=O)[O-] ZINC000738775595 603414754 /nfs/dbraw/zinc/41/47/54/603414754.db2.gz BVOSALJCJNVGPM-MRVPVSSYSA-N -1 0 300.315 -0.663 20 0 DBADRM CC(C)[C@H](CNC(=O)CN1CCC(=O)NC1=O)NC(=O)[O-] ZINC000738775597 603414931 /nfs/dbraw/zinc/41/49/31/603414931.db2.gz BVOSALJCJNVGPM-QMMMGPOBSA-N -1 0 300.315 -0.663 20 0 DBADRM CN1C[C@@H](NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CCC1=O ZINC000739724331 603427173 /nfs/dbraw/zinc/42/71/73/603427173.db2.gz PVPZGJKYYKIYGB-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])[C@H]1CCN(C)C1=O ZINC000739733800 603427310 /nfs/dbraw/zinc/42/73/10/603427310.db2.gz WCYDVWRFHZXWCW-QWRGUYRKSA-N -1 0 313.354 -0.166 20 0 DBADRM CCN(CC(=O)N1CCC[C@H](CS(N)(=O)=O)C1)C(=O)[O-] ZINC000739390366 603433031 /nfs/dbraw/zinc/43/30/31/603433031.db2.gz OOIPSNYPBPHHQH-VIFPVBQESA-N -1 0 307.372 -0.487 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])n1 ZINC000739599426 603434756 /nfs/dbraw/zinc/43/47/56/603434756.db2.gz JFMOPCNFTAQZJI-IUCAKERBSA-N -1 0 324.341 -0.259 20 0 DBADRM CCOC(=O)[C@H](C)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000827284869 603439207 /nfs/dbraw/zinc/43/92/07/603439207.db2.gz QOIQTPICODLXDV-SECBINFHSA-N -1 0 316.310 -0.449 20 0 DBADRM COC(=O)[C@]1(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)CCOC1 ZINC000828623754 603441819 /nfs/dbraw/zinc/44/18/19/603441819.db2.gz GDVOFARJBLQFLB-ZANVPECISA-N -1 0 300.311 -0.175 20 0 DBADRM CN(C(=O)NCC(C)(C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000827793794 603442295 /nfs/dbraw/zinc/44/22/95/603442295.db2.gz DOFVXZUOCKQFEK-MRVPVSSYSA-N -1 0 307.372 -0.139 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C)nn1 ZINC000828803661 603444692 /nfs/dbraw/zinc/44/46/92/603444692.db2.gz DJVWLMYMTWZPKP-QMMMGPOBSA-N -1 0 311.298 -0.725 20 0 DBADRM CC(C)N1CC[C@@H](OC(=O)COC2CN(C(=O)[O-])C2)C1=O ZINC000824362489 603447609 /nfs/dbraw/zinc/44/76/09/603447609.db2.gz DFIHLGZOAZBHIL-SNVBAGLBSA-N -1 0 300.311 -0.082 20 0 DBADRM C[C@@H](CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1)NC(=O)[O-] ZINC000824680325 603448330 /nfs/dbraw/zinc/44/83/30/603448330.db2.gz UFONNOAQWTUZLP-LURJTMIESA-N -1 0 308.294 -0.131 20 0 DBADRM C[C@@H](OC(=O)COC1CN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000825593315 603448878 /nfs/dbraw/zinc/44/88/78/603448878.db2.gz YOHRLDKBTFHMME-SECBINFHSA-N -1 0 316.310 -0.844 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN(CCn2cncn2)CC1 ZINC000737609842 603448951 /nfs/dbraw/zinc/44/89/51/603448951.db2.gz VUZAPCYGWRDTGM-LBPRGKRZSA-N -1 0 324.385 -0.286 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCN(CCn2cncn2)CC1 ZINC000824842450 603449721 /nfs/dbraw/zinc/44/97/21/603449721.db2.gz YFRCGUJYSGRVDN-LBPRGKRZSA-N -1 0 324.385 -0.332 20 0 DBADRM Nc1nc(N)nc(COC(=O)c2ccc(CNC(=O)[O-])o2)n1 ZINC000831265363 603455683 /nfs/dbraw/zinc/45/56/83/603455683.db2.gz IRPYQGGTODJKEW-UHFFFAOYSA-N -1 0 308.254 -0.246 20 0 DBADRM C[C@H](CC(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C)NC(=O)[O-] ZINC000824622007 603460793 /nfs/dbraw/zinc/46/07/93/603460793.db2.gz JMFDDDMOKVGIHV-BBBLOLIVSA-N -1 0 321.399 -0.181 20 0 DBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CN(C)C(=O)[O-] ZINC000826073950 603461761 /nfs/dbraw/zinc/46/17/61/603461761.db2.gz FFOYZPXVICBKSV-DTWKUNHWSA-N -1 0 307.372 -0.618 20 0 DBADRM CCN(CC(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C)C(=O)[O-] ZINC000827002631 603462553 /nfs/dbraw/zinc/46/25/53/603462553.db2.gz OGOCPKSFJYMYNS-ZJUUUORDSA-N -1 0 321.399 -0.228 20 0 DBADRM CN(CC(=O)OCCN1C(=O)c2ccncc2C1=O)C(=O)[O-] ZINC000828120806 603473060 /nfs/dbraw/zinc/47/30/60/603473060.db2.gz XHTANKYFPKJWBO-UHFFFAOYSA-N -1 0 307.262 -0.169 20 0 DBADRM NS(=O)(=O)CCNC(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000831246351 603485335 /nfs/dbraw/zinc/48/53/35/603485335.db2.gz PWIBAQVTTXJZHX-JTQLQIEISA-N -1 0 315.351 -0.558 20 0 DBADRM COC(=O)c1cn(CC(=O)NCCN(C(=O)[O-])C2CC2)nn1 ZINC000828804392 603485901 /nfs/dbraw/zinc/48/59/01/603485901.db2.gz MGTGLGZWLHWGIB-UHFFFAOYSA-N -1 0 311.298 -0.677 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828902484 603491065 /nfs/dbraw/zinc/49/10/65/603491065.db2.gz FONBUIKKRNQZAX-VHSXEESVSA-N -1 0 316.358 -0.469 20 0 DBADRM COC(=O)c1cn(CC(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)nn1 ZINC000828804247 603501390 /nfs/dbraw/zinc/50/13/90/603501390.db2.gz KIDBBFFORXRBMJ-QMMMGPOBSA-N -1 0 311.298 -0.725 20 0 DBADRM O=C(CC[C@H]1CCOC1)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000831422788 603505093 /nfs/dbraw/zinc/50/50/93/603505093.db2.gz DDIKYSADWDOPGU-NSHDSACASA-N -1 0 313.354 -0.259 20 0 DBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000828146278 603507524 /nfs/dbraw/zinc/50/75/24/603507524.db2.gz FRRLYBLSVPXUMF-UHFFFAOYSA-N -1 0 313.314 -0.164 20 0 DBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)CC[C@H]1NC(=O)NC1=O ZINC000828129969 603509495 /nfs/dbraw/zinc/50/94/95/603509495.db2.gz VZPBYYZTHPBVJO-MRVPVSSYSA-N -1 0 314.342 -0.273 20 0 DBADRM CN(CC(=O)O[C@@H]1CCC[C@H]1CNC(=O)[O-])S(C)(=O)=O ZINC000828120551 603515336 /nfs/dbraw/zinc/51/53/36/603515336.db2.gz RCKWWHCXBUGNTH-DTWKUNHWSA-N -1 0 308.356 -0.143 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000827836219 603516466 /nfs/dbraw/zinc/51/64/66/603516466.db2.gz WLBDGMGUINVOQE-UWVGGRQHSA-N -1 0 319.383 -0.379 20 0 DBADRM O=C([O-])NCCCC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000832609449 603516499 /nfs/dbraw/zinc/51/64/99/603516499.db2.gz YBDZUQLEPUDXED-LLVKDONJSA-N -1 0 313.354 -0.070 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000827836220 603516537 /nfs/dbraw/zinc/51/65/37/603516537.db2.gz WLBDGMGUINVOQE-VHSXEESVSA-N -1 0 319.383 -0.379 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)CC1=O ZINC000828984840 603518766 /nfs/dbraw/zinc/51/87/66/603518766.db2.gz KDJUSGGHUWXLON-QWRGUYRKSA-N -1 0 313.354 -0.308 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)n1C ZINC000830887143 603521520 /nfs/dbraw/zinc/52/15/20/603521520.db2.gz ACVYVFFXDVKLSQ-LLVKDONJSA-N -1 0 324.385 -0.234 20 0 DBADRM CCN(CCNC(=O)c1cc(S(N)(=O)=O)c(C)o1)C(=O)[O-] ZINC000827150651 603524372 /nfs/dbraw/zinc/52/43/72/603524372.db2.gz LLYXIIUKYSMONZ-UHFFFAOYSA-N -1 0 319.339 -0.035 20 0 DBADRM O=C([O-])NCCNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000832653463 603528417 /nfs/dbraw/zinc/52/84/17/603528417.db2.gz XEPLCRDRWXHRLY-JTQLQIEISA-N -1 0 314.342 -0.667 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NCCCNC(=O)[O-])c(C)o1 ZINC000828580100 603534616 /nfs/dbraw/zinc/53/46/16/603534616.db2.gz UTFIQQQVGOBEGA-UHFFFAOYSA-N -1 0 319.339 -0.116 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1=O ZINC000824350161 603545672 /nfs/dbraw/zinc/54/56/72/603545672.db2.gz CCURNMXYACJXGS-OQPBUACISA-N -1 0 315.301 -0.270 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000824960908 603546482 /nfs/dbraw/zinc/54/64/82/603546482.db2.gz WTPRCPRXRVKZDL-VHSXEESVSA-N -1 0 321.399 -0.780 20 0 DBADRM C[C@]1(C2CCN(C(=O)CCNC(=O)[O-])CC2)NC(=O)NC1=O ZINC000825744313 603551336 /nfs/dbraw/zinc/55/13/36/603551336.db2.gz NGCAJKZNVOLOQC-CYBMUJFWSA-N -1 0 312.326 -0.519 20 0 DBADRM CCOC(=O)C1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000827295849 603554019 /nfs/dbraw/zinc/55/40/19/603554019.db2.gz DBTABUBFABAONH-WDEREUQCSA-N -1 0 314.338 -0.099 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)N[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000827967150 603558615 /nfs/dbraw/zinc/55/86/15/603558615.db2.gz RACHSNBNYCIUCJ-VIFPVBQESA-N -1 0 324.341 -0.155 20 0 DBADRM Cn1cc([C@H]2CN(C(=O)[C@H]3COCCN3C(=O)[O-])CCO2)cn1 ZINC000831000273 603559160 /nfs/dbraw/zinc/55/91/60/603559160.db2.gz WXGKFRDOFGKPJX-VXGBXAGGSA-N -1 0 324.337 -0.301 20 0 DBADRM CC(=O)N1CCN(C(=O)CN(C)[C@@H](C)CNC(=O)[O-])CC1 ZINC000823556570 603559746 /nfs/dbraw/zinc/55/97/46/603559746.db2.gz OITSIBRWEADNOC-JTQLQIEISA-N -1 0 300.359 -0.735 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000826744618 603560193 /nfs/dbraw/zinc/56/01/93/603560193.db2.gz QNACYZBULRLSTK-RYUDHWBXSA-N -1 0 317.386 -0.426 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000824128084 603560892 /nfs/dbraw/zinc/56/08/92/603560892.db2.gz CCFIBCUBYULHBR-NEPJUHHUSA-N -1 0 317.386 -0.570 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000827514852 603561584 /nfs/dbraw/zinc/56/15/84/603561584.db2.gz VRPVHUUDDHCDOS-QWRGUYRKSA-N -1 0 303.359 -0.816 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)CC1CN(C(=O)[O-])C1 ZINC000828162018 603561800 /nfs/dbraw/zinc/56/18/00/603561800.db2.gz KFLDBFSCYJUNKB-LBPRGKRZSA-N -1 0 315.370 -0.862 20 0 DBADRM CCN(CC(=O)N(C)C[C@H](O)CN1CCOCC1)C(=O)[O-] ZINC000826996728 603561834 /nfs/dbraw/zinc/56/18/34/603561834.db2.gz IQZWLMFFLAIVOC-NSHDSACASA-N -1 0 303.359 -0.862 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000824968026 603562670 /nfs/dbraw/zinc/56/26/70/603562670.db2.gz YNKJVOIJESGLLR-SECBINFHSA-N -1 0 319.387 -0.714 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000828541918 603563190 /nfs/dbraw/zinc/56/31/90/603563190.db2.gz IDTVZROPXXNPCE-UHFFFAOYSA-N -1 0 312.370 -0.687 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)CC2CN(C(=O)[O-])C2)C1 ZINC000829683559 603567836 /nfs/dbraw/zinc/56/78/36/603567836.db2.gz UXLATEAKEBJLPJ-SNVBAGLBSA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@H]1CN(Cc2nc(CS(C)(=O)=O)no2)CCN1C(=O)[O-] ZINC000826067327 603568404 /nfs/dbraw/zinc/56/84/04/603568404.db2.gz KFWAMVQYULRVKX-QMMMGPOBSA-N -1 0 318.355 -0.202 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[O-] ZINC000828580142 603583863 /nfs/dbraw/zinc/58/38/63/603583863.db2.gz VWCHBAZUVDXIHD-NXEZZACHSA-N -1 0 319.383 -0.331 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000828578737 603584793 /nfs/dbraw/zinc/58/47/93/603584793.db2.gz CUPCVUOYLJQCHJ-ZJUUUORDSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)c1cnccn1 ZINC000825592802 603584850 /nfs/dbraw/zinc/58/48/50/603584850.db2.gz RNRIDSSOHCUWFO-VIFPVBQESA-N -1 0 308.294 -0.097 20 0 DBADRM CC(=O)N[C@H]1CCCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000823575722 603585260 /nfs/dbraw/zinc/58/52/60/603585260.db2.gz XNTCFRFRSHJXTC-LBPRGKRZSA-N -1 0 324.381 -0.243 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000828580219 603586148 /nfs/dbraw/zinc/58/61/48/603586148.db2.gz WXSZDMPHJGMETB-ZJUUUORDSA-N -1 0 321.399 -0.181 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)NS(C)(=O)=O ZINC000823900152 603588157 /nfs/dbraw/zinc/58/81/57/603588157.db2.gz CKCATSJUCZDCTC-RKDXNWHRSA-N -1 0 321.399 -0.133 20 0 DBADRM CNS(=O)(=O)CC(=O)N(C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000828573585 603591390 /nfs/dbraw/zinc/59/13/90/603591390.db2.gz UFXIQENXFCJAST-UHFFFAOYSA-N -1 0 319.383 -0.331 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828572724 603591632 /nfs/dbraw/zinc/59/16/32/603591632.db2.gz HHNPHYUJJCKPFI-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000828572725 603591930 /nfs/dbraw/zinc/59/19/30/603591930.db2.gz HHNPHYUJJCKPFI-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM COC(=O)c1ccc(=O)n(CN(C)[C@H]2CCN(C(=O)[O-])C2)n1 ZINC000828767138 603594328 /nfs/dbraw/zinc/59/43/28/603594328.db2.gz ULWWVOZNVYUAOM-VIFPVBQESA-N -1 0 310.310 -0.329 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000828572905 603594801 /nfs/dbraw/zinc/59/48/01/603594801.db2.gz KMRSYMAZSOACLL-BDAKNGLRSA-N -1 0 305.356 -0.721 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N[C@](C)(CNC(=O)[O-])C2CC2)c1=O ZINC000830962857 603594937 /nfs/dbraw/zinc/59/49/37/603594937.db2.gz BXZAEFMYBHHMIR-CYBMUJFWSA-N -1 0 310.310 -0.348 20 0 DBADRM CC(C)N1C(=O)C(=O)N(CN(C)[C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000824351210 603597197 /nfs/dbraw/zinc/59/71/97/603597197.db2.gz LOYTVLWARIDXTL-VIFPVBQESA-N -1 0 312.326 -0.173 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)CN1C(=O)CC12CCC2 ZINC000828096156 603597667 /nfs/dbraw/zinc/59/76/67/603597667.db2.gz YCFHNHDNNJPFMD-UHFFFAOYSA-N -1 0 324.381 -0.147 20 0 DBADRM CCN(CC(=O)OC)CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O ZINC000827014797 603601946 /nfs/dbraw/zinc/60/19/46/603601946.db2.gz UJFVBIXAKWMAMT-SNVBAGLBSA-N -1 0 314.342 -0.461 20 0 DBADRM C[C@H](COC(=O)Cn1nnc2ccccc2c1=O)NC(=O)[O-] ZINC000824995664 603612978 /nfs/dbraw/zinc/61/29/78/603612978.db2.gz PXCPBDKMBKRGHF-MRVPVSSYSA-N -1 0 306.278 -0.009 20 0 DBADRM Cc1ccnc2nc(C(=O)O[C@H]3CN(C(=O)[O-])CCC3=O)nn21 ZINC000830611716 603614586 /nfs/dbraw/zinc/61/45/86/603614586.db2.gz NJQPRESPPNAVSI-VIFPVBQESA-N -1 0 319.277 -0.089 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(=O)[O-])C1 ZINC000740343726 603621391 /nfs/dbraw/zinc/62/13/91/603621391.db2.gz WGCMBKYUDAYSNG-NXEZZACHSA-N -1 0 319.383 -0.202 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)C1 ZINC000831199638 603622784 /nfs/dbraw/zinc/62/27/84/603622784.db2.gz FYKJFONAFKBRIL-WPRPVWTQSA-N -1 0 313.310 -0.358 20 0 DBADRM CS(=O)(=O)NCCNC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000829687956 603624031 /nfs/dbraw/zinc/62/40/31/603624031.db2.gz PCQFPFGPARREGO-UHFFFAOYSA-N -1 0 307.372 -0.520 20 0 DBADRM COCCCS(=O)(=O)NCCN1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000828964473 603626939 /nfs/dbraw/zinc/62/69/39/603626939.db2.gz WCSYMXOEDBOSTF-NSHDSACASA-N -1 0 323.415 -0.374 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)C(C)(C)CNC(=O)[O-])CC1 ZINC000828542756 603630062 /nfs/dbraw/zinc/63/00/62/603630062.db2.gz NZKGAZABHSRYTK-UHFFFAOYSA-N -1 0 314.386 -0.393 20 0 DBADRM O=C(C[C@@H]1CCS(=O)(=O)C1)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000831350892 603632443 /nfs/dbraw/zinc/63/24/43/603632443.db2.gz SMMXNKYILRNEGJ-WCBMZHEXSA-N -1 0 319.335 -0.324 20 0 DBADRM O=C([O-])N1CCC(=O)[C@H](OC(=O)C[C@H]2C=CS(=O)(=O)C2)C1 ZINC000831300380 603634922 /nfs/dbraw/zinc/63/49/22/603634922.db2.gz WHAMJXLDWSQSEJ-PSASIEDQSA-N -1 0 317.319 -0.201 20 0 DBADRM NC(=O)c1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000831222292 603635023 /nfs/dbraw/zinc/63/50/23/603635023.db2.gz AYFDYTRWPYDQDJ-GHMZBOCLSA-N -1 0 307.306 -0.485 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000831041159 603639916 /nfs/dbraw/zinc/63/99/16/603639916.db2.gz MDHBKMWHADKIFZ-UHFFFAOYSA-N -1 0 311.342 -0.647 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CC1CN(C(=O)[O-])C1)C(=O)OC ZINC000828647001 603643805 /nfs/dbraw/zinc/64/38/05/603643805.db2.gz OBGLPLYPFFMUOU-MRVPVSSYSA-N -1 0 302.283 -0.793 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCc1nnc2n1CCCCC2 ZINC000831730830 603644551 /nfs/dbraw/zinc/64/45/51/603644551.db2.gz NUJSQVQPSSSULK-VHSXEESVSA-N -1 0 323.353 -0.266 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000831758139 603647984 /nfs/dbraw/zinc/64/79/84/603647984.db2.gz TULWCYLHZXBIJD-VHSXEESVSA-N -1 0 318.293 -0.286 20 0 DBADRM Cc1nn(C)c(C)c1CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000830853566 603655153 /nfs/dbraw/zinc/65/51/53/603655153.db2.gz YNRRYZIZMYDLAU-CMPLNLGQSA-N -1 0 310.354 -0.191 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000827846260 603660827 /nfs/dbraw/zinc/66/08/27/603660827.db2.gz HPLSWFYLZVUGKY-UWVGGRQHSA-N -1 0 308.342 -0.013 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000824191025 603664513 /nfs/dbraw/zinc/66/45/13/603664513.db2.gz RYRLFFCWOJPGAS-UWVGGRQHSA-N -1 0 316.358 -0.436 20 0 DBADRM NC(=O)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000831229857 603664798 /nfs/dbraw/zinc/66/47/98/603664798.db2.gz VDMMYCWLTMOIRG-GMSGAONNSA-N -1 0 311.269 -0.024 20 0 DBADRM CCC(CC)(CNC(=O)N1CCO[C@H](C(N)=O)C1)NC(=O)[O-] ZINC000826141936 603669799 /nfs/dbraw/zinc/66/97/99/603669799.db2.gz ODIFULJFUMMCIQ-VIFPVBQESA-N -1 0 316.358 -0.292 20 0 DBADRM CCNC(=O)CN(C)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000827237630 603671050 /nfs/dbraw/zinc/67/10/50/603671050.db2.gz WOWIVUUTQMBVFG-UHFFFAOYSA-N -1 0 314.386 -0.345 20 0 DBADRM CCN1CCO[C@H](C(=O)NCCN2CCN(C(=O)[O-])CC2)C1 ZINC000827227803 603672568 /nfs/dbraw/zinc/67/25/68/603672568.db2.gz JGNCMHPSZBHMIB-LBPRGKRZSA-N -1 0 314.386 -0.881 20 0 DBADRM CNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000828543838 603676551 /nfs/dbraw/zinc/67/65/51/603676551.db2.gz ZMHDQTSBKYEDFD-SDBXPKJASA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])NCC1(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)CCCC1 ZINC000832433285 603679982 /nfs/dbraw/zinc/67/99/82/603679982.db2.gz MWAYVVJSRGGTLQ-CQSZACIVSA-N -1 0 324.337 -0.375 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000823749505 603681897 /nfs/dbraw/zinc/68/18/97/603681897.db2.gz ZHVFDSAMQJFUBV-SNVBAGLBSA-N -1 0 312.370 -0.606 20 0 DBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)CC1CN(C(=O)[O-])C1 ZINC000829669571 603682855 /nfs/dbraw/zinc/68/28/55/603682855.db2.gz OFOXGSXONGNWQS-JTQLQIEISA-N -1 0 322.408 -0.068 20 0 DBADRM C[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H]1CNC(=O)[O-] ZINC000825920560 603684284 /nfs/dbraw/zinc/68/42/84/603684284.db2.gz ZDWOINKXGUFVSL-PSASIEDQSA-N -1 0 324.341 -0.728 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000826751970 603685061 /nfs/dbraw/zinc/68/50/61/603685061.db2.gz QZQKHWSIZRIPHL-JTQLQIEISA-N -1 0 314.386 -0.169 20 0 DBADRM C[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)[C@H]1CNC(=O)[O-] ZINC000825904950 603688727 /nfs/dbraw/zinc/68/87/27/603688727.db2.gz JMWSDWLGPWGAIA-BDAKNGLRSA-N -1 0 312.326 -0.567 20 0 DBADRM CC(=O)NCC1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000823579811 603692928 /nfs/dbraw/zinc/69/29/28/603692928.db2.gz MBROZZDDCADEJR-NEPJUHHUSA-N -1 0 313.354 -0.526 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](C)[C@H]1CNC(=O)[O-] ZINC000825508670 603693931 /nfs/dbraw/zinc/69/39/31/603693931.db2.gz JHIMCTJSZVPZMO-LPEHRKFASA-N -1 0 321.399 -0.181 20 0 DBADRM CN(CCNC(=O)N(C)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000828321355 603694684 /nfs/dbraw/zinc/69/46/84/603694684.db2.gz NZKWDZLFTNCHDV-UHFFFAOYSA-N -1 0 322.387 -0.727 20 0 DBADRM O=C([O-])NCc1cccc(NC(=O)C(=O)N2CCNC(=O)C2)c1 ZINC000832718960 603695556 /nfs/dbraw/zinc/69/55/56/603695556.db2.gz AWWYOGAUZVALHX-UHFFFAOYSA-N -1 0 320.305 -0.649 20 0 DBADRM CCOC[C@@H]1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000827387591 603696085 /nfs/dbraw/zinc/69/60/85/603696085.db2.gz FFJYIZWVSSYHQT-LLVKDONJSA-N -1 0 313.354 -0.306 20 0 DBADRM CN(C(=O)Cn1nc2ccccn2c1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827781185 603698608 /nfs/dbraw/zinc/69/86/08/603698608.db2.gz HBRPNARTLWXDIC-SNVBAGLBSA-N -1 0 319.321 -0.293 20 0 DBADRM CNC(=O)CN1CCN(C(=O)C(C)(C)CNC(=O)[O-])CC1 ZINC000828542766 603700410 /nfs/dbraw/zinc/70/04/10/603700410.db2.gz OEWFHTKJQPKGPB-UHFFFAOYSA-N -1 0 300.359 -0.830 20 0 DBADRM CN(Cc1ccccc1NC(=O)C(=O)N(C)CC(N)=O)C(=O)[O-] ZINC000828387773 603700938 /nfs/dbraw/zinc/70/09/38/603700938.db2.gz KHBSZIMFUADILN-UHFFFAOYSA-N -1 0 322.321 -0.321 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)C(C)(C)CNC(=O)[O-] ZINC000828162324 603702239 /nfs/dbraw/zinc/70/22/39/603702239.db2.gz MYMBJYRUPNKSAY-NSHDSACASA-N -1 0 317.386 -0.568 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCCC[C@@H]1CNC(=O)[O-] ZINC000831259359 603703136 /nfs/dbraw/zinc/70/31/36/603703136.db2.gz FFYUUZJKVHLNNQ-ZCFIWIBFSA-N -1 0 311.298 -0.268 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)CCNC(=O)[O-])C1=O ZINC000828444598 603707866 /nfs/dbraw/zinc/70/78/66/603707866.db2.gz GMHQAJUPNRNZBL-OQPBUACISA-N -1 0 312.326 -0.519 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000825509533 603719536 /nfs/dbraw/zinc/71/95/36/603719536.db2.gz QNDDBLLVNAOCQC-LPEHRKFASA-N -1 0 321.399 -0.039 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000831283518 603720073 /nfs/dbraw/zinc/72/00/73/603720073.db2.gz OJNNMANPUUYVPI-TUAOUCFPSA-N -1 0 314.338 -0.228 20 0 DBADRM Cc1nnc(CN(C)CC(=O)NCC[C@H](C)NC(=O)[O-])n1C ZINC000830887709 603722043 /nfs/dbraw/zinc/72/20/43/603722043.db2.gz QVYONUBCVAOPLT-VIFPVBQESA-N -1 0 312.374 -0.282 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000825178282 603726364 /nfs/dbraw/zinc/72/63/64/603726364.db2.gz RLSOMCMWQJLLBL-VIFPVBQESA-N -1 0 309.326 -0.915 20 0 DBADRM CS(=O)(=O)[C@H]1CC[C@@H](OC(=O)COCCNC(=O)[O-])C1 ZINC000829665989 603730011 /nfs/dbraw/zinc/73/00/11/603730011.db2.gz YLDBAVLZAGMHOL-BDAKNGLRSA-N -1 0 309.340 -0.221 20 0 DBADRM CS(=O)(=O)[C@H]1CC[C@H](OC(=O)COCCNC(=O)[O-])C1 ZINC000829665995 603731047 /nfs/dbraw/zinc/73/10/47/603731047.db2.gz YLDBAVLZAGMHOL-IUCAKERBSA-N -1 0 309.340 -0.221 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)NC2CCN(C(=O)[O-])CC2)cn1 ZINC000830992796 603732484 /nfs/dbraw/zinc/73/24/84/603732484.db2.gz BEAONWFFBGIQLU-LLVKDONJSA-N -1 0 311.342 -0.105 20 0 DBADRM CC1(C)CN(C(=O)[C@@H]2COCCN2C(=O)[O-])CCS1(=O)=O ZINC000825718718 603734808 /nfs/dbraw/zinc/73/48/08/603734808.db2.gz IULYFXIQLDRWRG-VIFPVBQESA-N -1 0 320.367 -0.599 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)CC2CN(C(=O)[O-])C2)n1 ZINC000827967412 603735260 /nfs/dbraw/zinc/73/52/60/603735260.db2.gz VQNKAIVLLHZQPL-UHFFFAOYSA-N -1 0 309.326 -0.090 20 0 DBADRM C[C@H](CC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O)NC(=O)[O-] ZINC000824636625 603736561 /nfs/dbraw/zinc/73/65/61/603736561.db2.gz PBDUQFHKFRQWKU-KXUCPTDWSA-N -1 0 321.399 -0.133 20 0 DBADRM Cc1nnc(CN(C)CC(=O)NCCN(C(=O)[O-])C2CC2)n1C ZINC000830887381 603739301 /nfs/dbraw/zinc/73/93/01/603739301.db2.gz JIMXEQXCABIMSF-UHFFFAOYSA-N -1 0 324.385 -0.186 20 0 DBADRM CO[C@H](CNC(=O)CN1CCN(C(=O)[O-])CC1=O)C(C)(C)C ZINC000828844477 603739695 /nfs/dbraw/zinc/73/96/95/603739695.db2.gz VXLFFSDROAZLLW-SNVBAGLBSA-N -1 0 315.370 -0.014 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)NCCN(C(=O)[O-])C1CC1 ZINC000825695271 603740782 /nfs/dbraw/zinc/74/07/82/603740782.db2.gz AFKQZXRRESCNHF-UHFFFAOYSA-N -1 0 312.326 -0.425 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCCCN1CCOCC1 ZINC000831534090 603742653 /nfs/dbraw/zinc/74/26/53/603742653.db2.gz UPVYVWYLXYXRKX-UHFFFAOYSA-N -1 0 301.343 -0.796 20 0 DBADRM NC(=O)[C@H](NC(=O)COC1CN(C(=O)[O-])C1)c1ccccc1 ZINC000831167368 603742761 /nfs/dbraw/zinc/74/27/61/603742761.db2.gz JMYFMIYHQYVCNW-GFCCVEGCSA-N -1 0 307.306 -0.292 20 0 DBADRM COC(=O)[C@H]1COCCN1C(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000828641882 603743644 /nfs/dbraw/zinc/74/36/44/603743644.db2.gz RPIGWSFEYOFSFD-VHSXEESVSA-N -1 0 300.311 -0.223 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000823774238 603744093 /nfs/dbraw/zinc/74/40/93/603744093.db2.gz XVBICEUYSWAVSC-RKDXNWHRSA-N -1 0 301.343 -0.479 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000827524592 603746230 /nfs/dbraw/zinc/74/62/30/603746230.db2.gz NSHBPMILGUCNMW-UTLUCORTSA-N -1 0 321.399 -0.133 20 0 DBADRM O=C([O-])N1CC(OCC(=O)NCCc2nnc3ccccn32)C1 ZINC000831533221 603753686 /nfs/dbraw/zinc/75/36/86/603753686.db2.gz GFMLHPPJOLJIBM-UHFFFAOYSA-N -1 0 319.321 -0.233 20 0 DBADRM O=C([O-])NCC1(C(=O)OCCN2C(=O)CNC2=O)CCCC1 ZINC000832446739 603754777 /nfs/dbraw/zinc/75/47/77/603754777.db2.gz ANIHODTZBUPVMD-UHFFFAOYSA-N -1 0 313.310 -0.091 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)[C@@H]1CSC(=O)N1 ZINC000828312745 603754747 /nfs/dbraw/zinc/75/47/47/603754747.db2.gz RGHWQLIUDBMRMK-VIFPVBQESA-N -1 0 316.383 -0.435 20 0 DBADRM CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000826853207 603755543 /nfs/dbraw/zinc/75/55/43/603755543.db2.gz JHNMDTIFEXFZLG-ZJUUUORDSA-N -1 0 321.399 -0.085 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CC1=O ZINC000828452911 603756198 /nfs/dbraw/zinc/75/61/98/603756198.db2.gz WEYTXWPGDQEKME-QMMMGPOBSA-N -1 0 321.293 -0.543 20 0 DBADRM CC(=O)N1CCC(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000823549910 603757453 /nfs/dbraw/zinc/75/74/53/603757453.db2.gz LTNGQHOSXANWSD-VXGBXAGGSA-N -1 0 313.354 -0.526 20 0 DBADRM COC(=O)CSCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000828688064 603758226 /nfs/dbraw/zinc/75/82/26/603758226.db2.gz GHDUSINAXWOBEK-SFYZADRCSA-N -1 0 306.340 -0.878 20 0 DBADRM C[C@H]1CCCN(S(=O)(=O)N2CCOCC2)[C@@H]1CNC(=O)[O-] ZINC000825931788 603759692 /nfs/dbraw/zinc/75/96/92/603759692.db2.gz NAOHHFGIQGSXCW-WDEREUQCSA-N -1 0 321.399 -0.069 20 0 DBADRM CCc1nnc2n1CCN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])C2 ZINC000827657337 603759763 /nfs/dbraw/zinc/75/97/63/603759763.db2.gz YNWZSOQLQFLHLO-BDAKNGLRSA-N -1 0 309.326 -0.704 20 0 DBADRM CCc1nnc2n1CCN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])C2 ZINC000827657339 603759898 /nfs/dbraw/zinc/75/98/98/603759898.db2.gz YNWZSOQLQFLHLO-IUCAKERBSA-N -1 0 309.326 -0.704 20 0 DBADRM COC(=O)C1CCC(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000828625292 603761834 /nfs/dbraw/zinc/76/18/34/603761834.db2.gz YNYVKMPBIZOIEI-WFBLGPOFSA-N -1 0 314.338 -0.052 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000827479986 603764738 /nfs/dbraw/zinc/76/47/38/603764738.db2.gz AKOIACPVODBPKA-VIFPVBQESA-N -1 0 322.387 -0.633 20 0 DBADRM NC(=O)NC1CCN(C(=O)N[C@H](CNC(=O)[O-])C2CC2)CC1 ZINC000831208038 603765401 /nfs/dbraw/zinc/76/54/01/603765401.db2.gz JFDYZAUGXMWJCI-SNVBAGLBSA-N -1 0 313.358 -0.125 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)NCCN(C(=O)[O-])C2CC2)cn1 ZINC000830995200 603766003 /nfs/dbraw/zinc/76/60/03/603766003.db2.gz WOWKMJRNHDRPLF-NSHDSACASA-N -1 0 311.342 -0.105 20 0 DBADRM O=C([O-])N1CC(OCC(=O)NCCNC(=O)c2cccnc2)C1 ZINC000831533367 603766167 /nfs/dbraw/zinc/76/61/67/603766167.db2.gz KGKMKNUIMWLRMU-UHFFFAOYSA-N -1 0 322.321 -0.694 20 0 DBADRM CCN1C(=S)N=NC1CNC(=O)COC1CN(C(=O)[O-])C1 ZINC000827694080 603766528 /nfs/dbraw/zinc/76/65/28/603766528.db2.gz PZKSOPMBFIGSGL-UHFFFAOYSA-N -1 0 315.355 -0.418 20 0 DBADRM C[C@H](C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O)N1C(=O)CCC1=O ZINC000823731274 603771920 /nfs/dbraw/zinc/77/19/20/603771920.db2.gz LEFOBXNQEUKJOQ-VXNVDRBHSA-N -1 0 312.278 -0.612 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])C1 ZINC000827961084 603772254 /nfs/dbraw/zinc/77/22/54/603772254.db2.gz PSKBUSNEAPKMHL-QWRGUYRKSA-N -1 0 313.354 -0.262 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@@]2(C)CCN(C(=O)[O-])C2)C1 ZINC000827960814 603772373 /nfs/dbraw/zinc/77/23/73/603772373.db2.gz MCRCBAVGCVEAPT-AWEZNQCLSA-N -1 0 313.354 -0.308 20 0 DBADRM CC[C@@H](NC(=O)[C@H](C)CN(C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000826592851 603773825 /nfs/dbraw/zinc/77/38/25/603773825.db2.gz ODLVMFVKWDVOCW-GHMZBOCLSA-N -1 0 315.370 -0.014 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCN(C(=O)[O-])C2CC2)cnn1C ZINC000829877744 603774545 /nfs/dbraw/zinc/77/45/45/603774545.db2.gz SGERSAGQDPNKKO-UHFFFAOYSA-N -1 0 309.326 -0.074 20 0 DBADRM COCCN(CC(=O)N1CCO[C@@H](CC(=O)OC)C1)C(=O)[O-] ZINC000828971225 603776147 /nfs/dbraw/zinc/77/61/47/603776147.db2.gz SALLTCFNBVNNCI-JTQLQIEISA-N -1 0 318.326 -0.597 20 0 DBADRM COCCN(CC(=O)N1CCO[C@H](CC(=O)OC)C1)C(=O)[O-] ZINC000828971226 603776245 /nfs/dbraw/zinc/77/62/45/603776245.db2.gz SALLTCFNBVNNCI-SNVBAGLBSA-N -1 0 318.326 -0.597 20 0 DBADRM CCOCCN1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000827399891 603777232 /nfs/dbraw/zinc/77/72/32/603777232.db2.gz SFRBZSNGQZHERZ-RYUDHWBXSA-N -1 0 315.370 -0.720 20 0 DBADRM CCOCCN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000827399889 603777430 /nfs/dbraw/zinc/77/74/30/603777430.db2.gz SFRBZSNGQZHERZ-NEPJUHHUSA-N -1 0 315.370 -0.720 20 0 DBADRM Cc1c(NC(=O)C(=O)NC2CCN(C(=O)[O-])CC2)cnn1C ZINC000829877514 603778057 /nfs/dbraw/zinc/77/80/57/603778057.db2.gz NJFVEVCEYJYRAN-UHFFFAOYSA-N -1 0 309.326 -0.074 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)cnn1C ZINC000829876675 603778288 /nfs/dbraw/zinc/77/82/88/603778288.db2.gz HSDILWUDOKMYMV-VIFPVBQESA-N -1 0 309.326 -0.122 20 0 DBADRM C[C@@H](NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C(=O)N(C)C ZINC000738959914 603779422 /nfs/dbraw/zinc/77/94/22/603779422.db2.gz XWLZECLEQCMEQJ-ZJUUUORDSA-N -1 0 301.343 -0.262 20 0 DBADRM CNC(=O)Cc1noc(CN2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)n1 ZINC000828547136 603780204 /nfs/dbraw/zinc/78/02/04/603780204.db2.gz LFUUMPXPHMODCE-RKDXNWHRSA-N -1 0 311.342 -0.069 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000824204704 603780652 /nfs/dbraw/zinc/78/06/52/603780652.db2.gz VAGNKYGXEIBOTL-ZCFIWIBFSA-N -1 0 313.314 -0.118 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000827266582 603780848 /nfs/dbraw/zinc/78/08/48/603780848.db2.gz UZZWFPPDRYHXEK-SECBINFHSA-N -1 0 322.387 -0.633 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)[C@H](C)NS(C)(=O)=O ZINC000824182186 603780783 /nfs/dbraw/zinc/78/07/83/603780783.db2.gz IANZYJRVIRYRQA-IUCAKERBSA-N -1 0 309.388 -0.277 20 0 DBADRM CCCS(=O)(=O)CC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000826945184 603781328 /nfs/dbraw/zinc/78/13/28/603781328.db2.gz VCBKGHTUUKUUGL-SECBINFHSA-N -1 0 307.324 -0.324 20 0 DBADRM CCOC(=O)[C@H](C)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000827284929 603781901 /nfs/dbraw/zinc/78/19/01/603781901.db2.gz ROIZYKKJCFFFKP-SECBINFHSA-N -1 0 315.326 -0.876 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000827046640 603782135 /nfs/dbraw/zinc/78/21/35/603782135.db2.gz XVZZSCBHSDRALZ-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000827046642 603782220 /nfs/dbraw/zinc/78/22/20/603782220.db2.gz XVZZSCBHSDRALZ-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM O=C(COC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)NC[C@@H]1CCCO1 ZINC000831499683 603782301 /nfs/dbraw/zinc/78/23/01/603782301.db2.gz UOMNNWGKNHGVSK-TVQRCGJNSA-N -1 0 318.301 -0.083 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])CC(F)(F)F ZINC000828320922 603786436 /nfs/dbraw/zinc/78/64/36/603786436.db2.gz AAKCVVUEVCRYNP-JGVFFNPUSA-N -1 0 313.276 -0.290 20 0 DBADRM CC[C@H](NC(=O)C[C@@H](C)NC(=O)[O-])C(=O)N1CCOCC1 ZINC000826591489 603790744 /nfs/dbraw/zinc/79/07/44/603790744.db2.gz AHDLIJCTJSBOBD-ZJUUUORDSA-N -1 0 301.343 -0.214 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000828606599 603791148 /nfs/dbraw/zinc/79/11/48/603791148.db2.gz CBFQXLVWECMQMI-BDAKNGLRSA-N -1 0 308.356 -0.143 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000828607768 603792011 /nfs/dbraw/zinc/79/20/11/603792011.db2.gz MEYQXPNYCZGIFC-IONNQARKSA-N -1 0 308.356 -0.239 20 0 DBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)CNC(=O)[O-])C[C@H]2C)CC1 ZINC000823562291 603792586 /nfs/dbraw/zinc/79/25/86/603792586.db2.gz SMJRWNFBUITNFM-ZYHUDNBSSA-N -1 0 312.370 -0.735 20 0 DBADRM CNC(=O)CCCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000828538162 603792953 /nfs/dbraw/zinc/79/29/53/603792953.db2.gz QFGPBYHBCFSVHS-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828552382 603797105 /nfs/dbraw/zinc/79/71/05/603797105.db2.gz PTCNZDFQFBGBMN-UPONEAKYSA-N -1 0 305.262 -0.534 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)OCC(=O)N2CCNC2=O)C1 ZINC000831915455 603797937 /nfs/dbraw/zinc/79/79/37/603797937.db2.gz YLPGKIKWTXTCGR-NSHDSACASA-N -1 0 303.246 -0.827 20 0 DBADRM C[C@@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)[O-])C(=O)NC(N)=O ZINC000825598373 603800253 /nfs/dbraw/zinc/80/02/53/603800253.db2.gz KJINJLOSPVHECM-SCZZXKLOSA-N -1 0 323.305 -0.008 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(CC(=O)NCC(=O)N2CCCC2)C1 ZINC000827883438 603801607 /nfs/dbraw/zinc/80/16/07/603801607.db2.gz YCVLYHHBVOTDKI-NSHDSACASA-N -1 0 312.370 -0.591 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCOC[C@@H]1CCCO1 ZINC000831693352 603804113 /nfs/dbraw/zinc/80/41/13/603804113.db2.gz NAGFZBAEIMCEKD-GARJFASQSA-N -1 0 302.327 -0.589 20 0 DBADRM CC(C)(C)N1C[C@H](NC(=O)COC2CN(C(=O)[O-])C2)CC1=O ZINC000823773417 603805326 /nfs/dbraw/zinc/80/53/26/603805326.db2.gz URLAYXWFPLBLCR-SECBINFHSA-N -1 0 313.354 -0.119 20 0 DBADRM CC(C)(C)N1C[C@@H](NC(=O)COC2CN(C(=O)[O-])C2)CC1=O ZINC000823773677 603805521 /nfs/dbraw/zinc/80/55/21/603805521.db2.gz URLAYXWFPLBLCR-VIFPVBQESA-N -1 0 313.354 -0.119 20 0 DBADRM COC(=O)[C@H]1COCCN1C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828639900 603807814 /nfs/dbraw/zinc/80/78/14/603807814.db2.gz IQEGKQASIVBXRJ-PELKAZGASA-N -1 0 304.274 -0.521 20 0 DBADRM COC(=O)[C@H]1COCCN1C(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000828640129 603807987 /nfs/dbraw/zinc/80/79/87/603807987.db2.gz JSGQXEHTPAOBGB-VHSXEESVSA-N -1 0 300.311 -0.081 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)CC3CN(C(=O)[O-])C3)CC2)[nH]1 ZINC000830752179 603813870 /nfs/dbraw/zinc/81/38/70/603813870.db2.gz UKMKVDVWUQUIOS-UHFFFAOYSA-N -1 0 322.369 -0.243 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N[C@@H](CC(N)=O)C1CCOCC1 ZINC000827518374 603814395 /nfs/dbraw/zinc/81/43/95/603814395.db2.gz JGOLHSOBIFSQTO-UWVGGRQHSA-N -1 0 301.343 -0.181 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000828684158 603816568 /nfs/dbraw/zinc/81/65/68/603816568.db2.gz QKXFBNXHAYOCEI-RKDXNWHRSA-N -1 0 316.310 -0.260 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)N[C@H](CNC(=O)[O-])C2CC2)cn1 ZINC000830993859 603819075 /nfs/dbraw/zinc/81/90/75/603819075.db2.gz NPHGGJYBFYHXFV-GHMZBOCLSA-N -1 0 311.342 -0.201 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000831274471 603821198 /nfs/dbraw/zinc/82/11/98/603821198.db2.gz WQMWVYPWBCXFNN-UTUOFQBUSA-N -1 0 323.353 -0.370 20 0 DBADRM Cc1nc2n(c1C)CCN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])C2 ZINC000830800151 603821491 /nfs/dbraw/zinc/82/14/91/603821491.db2.gz UMRBNMNNZIIMCR-QWRGUYRKSA-N -1 0 308.338 -0.045 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000829669908 603822577 /nfs/dbraw/zinc/82/25/77/603822577.db2.gz RLWSYGRYYXVXOE-RKDXNWHRSA-N -1 0 320.367 -0.959 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])CN1CCOCC1 ZINC000824915254 603823948 /nfs/dbraw/zinc/82/39/48/603823948.db2.gz KIYWYNXTXUAPJP-WOPDTQHZSA-N -1 0 315.370 -0.816 20 0 DBADRM COCCCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000828950667 603826795 /nfs/dbraw/zinc/82/67/95/603826795.db2.gz OVYGFQWMFLZYBB-GUBZILKMSA-N -1 0 318.326 -0.816 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3CCCN3C(=O)[O-])CCN2C1=O ZINC000827200025 603828277 /nfs/dbraw/zinc/82/82/77/603828277.db2.gz QVMUTZIJUWAUMI-ZJUUUORDSA-N -1 0 324.337 -0.376 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)CC3CN(C(=O)[O-])C3)CCN2C1=O ZINC000827199694 603828294 /nfs/dbraw/zinc/82/82/94/603828294.db2.gz PVBBGKKXNHQAQU-JTQLQIEISA-N -1 0 324.337 -0.519 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCCOC[C@@H]1CCOC1 ZINC000831680064 603830602 /nfs/dbraw/zinc/83/06/02/603830602.db2.gz AVKCLZGHTUKUMW-SRVKXCTJSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])N1CCC(NC(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000831948610 603830879 /nfs/dbraw/zinc/83/08/79/603830879.db2.gz YVBXGKVQJHPSGT-SNVBAGLBSA-N -1 0 311.342 -0.452 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000829688507 603833471 /nfs/dbraw/zinc/83/34/71/603833471.db2.gz SJAAVJIMPRGUFW-JTQLQIEISA-N -1 0 311.335 -0.866 20 0 DBADRM CNC(=O)Cc1noc(CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)n1 ZINC000828546331 603833536 /nfs/dbraw/zinc/83/35/36/603833536.db2.gz CRONCJBJRPZPFI-IUCAKERBSA-N -1 0 311.342 -0.164 20 0 DBADRM CC1N=NC(=S)N1CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000830894727 603833946 /nfs/dbraw/zinc/83/39/46/603833946.db2.gz XKMRGVBQCNWWEP-JGVFFNPUSA-N -1 0 315.355 -0.895 20 0 DBADRM C[C@H](CNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)N1CCOCC1 ZINC000824916580 603837317 /nfs/dbraw/zinc/83/73/17/603837317.db2.gz SSFCWAQZCIYDHR-ZWNOBZJWSA-N -1 0 303.334 -0.085 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000828162344 603840323 /nfs/dbraw/zinc/84/03/23/603840323.db2.gz NQALSCLCIANLGE-GFCCVEGCSA-N -1 0 314.386 -0.306 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C[C@@H]1C ZINC000825528514 603845363 /nfs/dbraw/zinc/84/53/63/603845363.db2.gz OOULCMFOGJKDGN-YFKTTZPYSA-N -1 0 315.370 -0.987 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000828552224 603847342 /nfs/dbraw/zinc/84/73/42/603847342.db2.gz NTEHRTVXGMRVND-RNJXMRFFSA-N -1 0 301.299 -0.190 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000828684412 603847525 /nfs/dbraw/zinc/84/75/25/603847525.db2.gz VAAYOXHTJCSWTB-CIUDSAMLSA-N -1 0 316.310 -0.356 20 0 DBADRM O=C([O-])N1CCC(=O)[C@H](OC(=O)CNC(=O)c2ccccn2)C1 ZINC000831492537 603849883 /nfs/dbraw/zinc/84/98/83/603849883.db2.gz DULDRNOKXFOYGL-LLVKDONJSA-N -1 0 321.289 -0.324 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000831259517 603850601 /nfs/dbraw/zinc/85/06/01/603850601.db2.gz GUHVNFDABNNKMR-DGUCWDHESA-N -1 0 323.309 -0.127 20 0 DBADRM NC(=O)c1nccnc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000831240454 603850737 /nfs/dbraw/zinc/85/07/37/603850737.db2.gz OJBNGYRROXLFRL-CBLAIPOGSA-N -1 0 319.321 -0.021 20 0 DBADRM CCn1nc2c(cc1=O)CN(C(=O)NCCN(C)C(=O)[O-])CC2 ZINC000827724200 603852162 /nfs/dbraw/zinc/85/21/62/603852162.db2.gz HXOOBYFTSZVUFL-UHFFFAOYSA-N -1 0 323.353 -0.059 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000831646805 603862729 /nfs/dbraw/zinc/86/27/29/603862729.db2.gz JLKHZRBQNAOCAM-ZJUUUORDSA-N -1 0 311.342 -0.452 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N)C(=O)[O-] ZINC000828211887 603865384 /nfs/dbraw/zinc/86/53/84/603865384.db2.gz MPFWTQLWIFMJRM-LURJTMIESA-N -1 0 311.298 -0.316 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000828096002 603866713 /nfs/dbraw/zinc/86/67/13/603866713.db2.gz RNWWDNAEUFQZHX-CQSZACIVSA-N -1 0 313.354 -0.306 20 0 DBADRM C[C@@]1(C(=O)N2CCN(S(C)(=O)=O)CC2)CCN(C(=O)[O-])C1 ZINC000825657260 603867573 /nfs/dbraw/zinc/86/75/73/603867573.db2.gz QNKUOTJFRNZGGB-GFCCVEGCSA-N -1 0 319.383 -0.520 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CCN2C(=O)NC[C@H]2C1)NC(=O)[O-] ZINC000824117676 603868901 /nfs/dbraw/zinc/86/89/01/603868901.db2.gz QVSGCOBLNYXANZ-UWVGGRQHSA-N -1 0 313.358 -0.302 20 0 DBADRM O=C(CC1CN(C(=O)[O-])C1)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000831356090 603870767 /nfs/dbraw/zinc/87/07/67/603870767.db2.gz VFGPMBOIOPWYGN-LKFCYVNXSA-N -1 0 324.337 -0.519 20 0 DBADRM CN(C(=O)CN1C(=O)NC(=O)C1(C)C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827766043 603872279 /nfs/dbraw/zinc/87/22/79/603872279.db2.gz YXXWZTPZTIQASZ-MRVPVSSYSA-N -1 0 312.326 -0.473 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)n1C ZINC000830887514 603873290 /nfs/dbraw/zinc/87/32/90/603873290.db2.gz MMGUGWDHUOQLJX-LLVKDONJSA-N -1 0 324.385 -0.234 20 0 DBADRM CN(CCN1CCOCC1)C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828316103 603873973 /nfs/dbraw/zinc/87/39/73/603873973.db2.gz JYUIUUAQBODTMG-ZDUSSCGKSA-N -1 0 303.334 -0.131 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000826093607 603879456 /nfs/dbraw/zinc/87/94/56/603879456.db2.gz IGKHESQKINOCML-GXFFZTMASA-N -1 0 303.334 -0.085 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])CC2)cn1 ZINC000831009409 603884496 /nfs/dbraw/zinc/88/44/96/603884496.db2.gz TWQKIVOWMDPEQT-NWDGAFQWSA-N -1 0 323.353 -0.818 20 0 DBADRM C[C@H](C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)c1cnn(C)c1 ZINC000823684781 603891569 /nfs/dbraw/zinc/89/15/69/603891569.db2.gz DDMOBBKAAMCRQZ-JTQLQIEISA-N -1 0 323.353 -0.538 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000827228400 603898527 /nfs/dbraw/zinc/89/85/27/603898527.db2.gz OJLBAGWXAMAWIK-GWCFXTLKSA-N -1 0 303.334 -0.085 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000824381129 603901161 /nfs/dbraw/zinc/90/11/61/603901161.db2.gz FGFDIQICXKHDGI-LBPRGKRZSA-N -1 0 321.399 -0.180 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000827248486 603901594 /nfs/dbraw/zinc/90/15/94/603901594.db2.gz BZUMULOJXICXKH-JGVFFNPUSA-N -1 0 317.298 -0.857 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1COCCN1C(=O)[O-])C(=O)Nc1ncccn1 ZINC000825570882 603901870 /nfs/dbraw/zinc/90/18/70/603901870.db2.gz LULVTWIBRVKPTL-BDAKNGLRSA-N -1 0 324.293 -0.274 20 0 DBADRM CN(CC1CC1)C(=O)COC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000828167701 603902228 /nfs/dbraw/zinc/90/22/28/603902228.db2.gz BUQUYMHJXPTYIK-SNVBAGLBSA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCS1(=O)=O ZINC000825969897 603902531 /nfs/dbraw/zinc/90/25/31/603902531.db2.gz ROPQYTDBWAAEIT-KCJUWKMLSA-N -1 0 308.331 -0.276 20 0 DBADRM O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])NCC1CCC1 ZINC000831504692 603902587 /nfs/dbraw/zinc/90/25/87/603902587.db2.gz YQZHVSJMIFXJPJ-JTQLQIEISA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NC[C@H](O)C2CCOCC2)C1 ZINC000831894188 603903114 /nfs/dbraw/zinc/90/31/14/603903114.db2.gz GOUWXAORTOAHHZ-GXFFZTMASA-N -1 0 304.318 -0.018 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000826093774 603904083 /nfs/dbraw/zinc/90/40/83/603904083.db2.gz LNQXPPSNCXAQEO-GZMMTYOYSA-N -1 0 308.331 -0.276 20 0 DBADRM O=C([O-])NCCC(=O)NCC1(O)CCC2(CC1)OCCO2 ZINC000832599477 603907129 /nfs/dbraw/zinc/90/71/29/603907129.db2.gz PRUFVSVRHVSVFD-UHFFFAOYSA-N -1 0 302.327 -0.192 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NCc1nnnn1C1CC1 ZINC000826025546 603908462 /nfs/dbraw/zinc/90/84/62/603908462.db2.gz ATBKPEFJCMUVQB-MRVPVSSYSA-N -1 0 309.330 -0.098 20 0 DBADRM O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])NCC(F)(F)F ZINC000831503953 603910763 /nfs/dbraw/zinc/91/07/63/603910763.db2.gz QQQSRJRMWRJBFR-LURJTMIESA-N -1 0 314.216 -0.413 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CC[C@@H](N(C)C(=O)[O-])C2)C1=O ZINC000828920107 603916951 /nfs/dbraw/zinc/91/69/51/603916951.db2.gz DJJRNCODCAAVNM-RNCFNFMXSA-N -1 0 314.342 -0.415 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CC[C@H](N(C)C(=O)[O-])C2)C1=O ZINC000828920108 603917202 /nfs/dbraw/zinc/91/72/02/603917202.db2.gz DJJRNCODCAAVNM-TVQRCGJNSA-N -1 0 314.342 -0.415 20 0 DBADRM CC(C)CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000824256823 603917168 /nfs/dbraw/zinc/91/71/68/603917168.db2.gz IBEUOOTYECGESQ-UHFFFAOYSA-N -1 0 305.400 -0.048 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CC[C@@H](N(C)C(=O)[O-])C2)n1 ZINC000828766376 603917783 /nfs/dbraw/zinc/91/77/83/603917783.db2.gz NTQQARADMFZZIQ-SECBINFHSA-N -1 0 310.310 -0.329 20 0 DBADRM O=C(COC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])NC1CC1 ZINC000831507323 603920978 /nfs/dbraw/zinc/92/09/78/603920978.db2.gz HQIGIVJLLAZFDH-SNVBAGLBSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C(COC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])NC1CC1 ZINC000831507322 603921156 /nfs/dbraw/zinc/92/11/56/603921156.db2.gz HQIGIVJLLAZFDH-JTQLQIEISA-N -1 0 300.311 -0.033 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)OC ZINC000828646405 603921427 /nfs/dbraw/zinc/92/14/27/603921427.db2.gz IPXCFWAKDKGAOX-KRTXAFLBSA-N -1 0 320.273 -0.701 20 0 DBADRM CCCC[C@H](CNC(=O)[O-])NS(=O)(=O)N1CCOCC1 ZINC000826814808 603921529 /nfs/dbraw/zinc/92/15/29/603921529.db2.gz NWSGSEADPPITGU-SNVBAGLBSA-N -1 0 309.388 -0.021 20 0 DBADRM CN1C(=O)C(=O)N(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1=O ZINC000828441220 603923633 /nfs/dbraw/zinc/92/36/33/603923633.db2.gz KQXIUVULEFWTTF-BDAKNGLRSA-N -1 0 310.310 -0.419 20 0 DBADRM C[C@]1(C(=O)N2CCCN(CC(N)=O)CC2)CCN(C(=O)[O-])C1 ZINC000825650077 603925940 /nfs/dbraw/zinc/92/59/40/603925940.db2.gz CNTAZTPPFBSCSI-AWEZNQCLSA-N -1 0 312.370 -0.604 20 0 DBADRM NC(=O)c1ccc(CNC(=O)[C@@H]2CSCN2C(=O)[O-])cn1 ZINC000831223093 603927916 /nfs/dbraw/zinc/92/79/16/603927916.db2.gz VVPDZFPRJMLCAG-VIFPVBQESA-N -1 0 310.335 -0.150 20 0 DBADRM CC(C)(CNC(=O)NC[C@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000823930878 603930678 /nfs/dbraw/zinc/93/06/78/603930678.db2.gz QLAIRYHQDXVLAY-MRVPVSSYSA-N -1 0 307.372 -0.234 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])N[C@@H]1CC[S@@](=O)C1 ZINC000831473589 603933954 /nfs/dbraw/zinc/93/39/54/603933954.db2.gz DIOSGPYUAUNFMD-ZJNREGCTSA-N -1 0 304.368 -0.217 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC1CCS(=O)(=O)CC1 ZINC000831604883 603935461 /nfs/dbraw/zinc/93/54/61/603935461.db2.gz ZBUOOJATZDEYBF-SECBINFHSA-N -1 0 306.340 -0.941 20 0 DBADRM C[C@]1(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCN(C(=O)[O-])C1 ZINC000825650020 603946945 /nfs/dbraw/zinc/94/69/45/603946945.db2.gz BJJTYIZMELXDLE-SKDRFNHKSA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@]1(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)CCN(C(=O)[O-])C1 ZINC000825651601 603949101 /nfs/dbraw/zinc/94/91/01/603949101.db2.gz YHEHDWZDUIOZCW-QWHCGFSZSA-N -1 0 310.310 -0.813 20 0 DBADRM Cn1cc(C(=O)N2CCN(C(=O)[O-])CC2(C)C)c(=O)[nH]c1=O ZINC000830989287 603949330 /nfs/dbraw/zinc/94/93/30/603949330.db2.gz NTRCQHYEGCIUDX-UHFFFAOYSA-N -1 0 310.310 -0.300 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NC[C@@H](O)COCC2CC2)C1 ZINC000831894814 603950547 /nfs/dbraw/zinc/95/05/47/603950547.db2.gz JRRBGBOTKNGDRK-ZWNOBZJWSA-N -1 0 304.318 -0.018 20 0 DBADRM O=C([O-])N1CCC(n2cc(C(=O)NCc3cn[nH]n3)nn2)CC1 ZINC000831709622 603952396 /nfs/dbraw/zinc/95/23/96/603952396.db2.gz XJJJLEOCCAWUOQ-UHFFFAOYSA-N -1 0 320.313 -0.359 20 0 DBADRM COC(=O)C[C@@H](C)N1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000828646714 603952440 /nfs/dbraw/zinc/95/24/40/603952440.db2.gz LDOJQSYTHSLSAV-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM O=C(C[C@H]1CCOC1)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000831351687 603955068 /nfs/dbraw/zinc/95/50/68/603955068.db2.gz ZKLTZGSGKRSINZ-SECBINFHSA-N -1 0 324.341 -0.030 20 0 DBADRM O=C(COCC1CC1)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000831545707 603956467 /nfs/dbraw/zinc/95/64/67/603956467.db2.gz UOGCZRUKRWOGAW-UHFFFAOYSA-N -1 0 324.341 -0.030 20 0 DBADRM CC(C)OCC(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000824394456 603958499 /nfs/dbraw/zinc/95/84/99/603958499.db2.gz RDTZPPXXKYQHHY-UHFFFAOYSA-N -1 0 312.330 -0.032 20 0 DBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3cnsn3)n2)CC1 ZINC000831815406 603958593 /nfs/dbraw/zinc/95/85/93/603958593.db2.gz HLZGMGYFFXJBOH-UHFFFAOYSA-N -1 0 324.326 -0.292 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827312795 603959344 /nfs/dbraw/zinc/95/93/44/603959344.db2.gz JNVVOCNQZCRTGX-BDAKNGLRSA-N -1 0 315.326 -0.700 20 0 DBADRM COCCCC(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000828944694 603961456 /nfs/dbraw/zinc/96/14/56/603961456.db2.gz DXLRBLZPYALRNS-UHFFFAOYSA-N -1 0 312.330 -0.030 20 0 DBADRM CN1CCC[C@H](NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1=O ZINC000828480177 603962086 /nfs/dbraw/zinc/96/20/86/603962086.db2.gz DNSPPXQJMYVHSN-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)[C@H]3CCCOC3)n2)CC1 ZINC000831810717 603962234 /nfs/dbraw/zinc/96/22/34/603962234.db2.gz QXWSDHNIIHTCGI-VIFPVBQESA-N -1 0 324.341 -0.030 20 0 DBADRM Cn1cc(C[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])C2)cn1 ZINC000831000241 603963801 /nfs/dbraw/zinc/96/38/01/603963801.db2.gz VXVCHGFPNBYJLY-DRZSPHRISA-N -1 0 322.365 -0.076 20 0 DBADRM CCN(CC(=O)N[C@@H]1CCc2nc(COC)nn2C1)C(=O)[O-] ZINC000827002758 603971776 /nfs/dbraw/zinc/97/17/76/603971776.db2.gz RTYWTGUZDFZINO-SECBINFHSA-N -1 0 311.342 -0.145 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000828684218 603975322 /nfs/dbraw/zinc/97/53/22/603975322.db2.gz RJAWVWBVAKRUDF-AXFHLTTASA-N -1 0 313.354 -0.119 20 0 DBADRM CCN(CC(=O)NCC1(O)CCS(=O)(=O)CC1)C(=O)[O-] ZINC000827002246 603988343 /nfs/dbraw/zinc/98/83/43/603988343.db2.gz JUVPFHLTRADPDC-UHFFFAOYSA-N -1 0 308.356 -0.958 20 0 DBADRM CNC(=O)C1CCC(NC(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000828531398 603989822 /nfs/dbraw/zinc/98/98/22/603989822.db2.gz GZLIHDPHVOJMCN-UHFFFAOYSA-N -1 0 313.354 -0.214 20 0 DBADRM O=C([O-])N1CC(OCC(=O)NCCC(=O)Nc2cccnc2)C1 ZINC000831534416 603994447 /nfs/dbraw/zinc/99/44/47/603994447.db2.gz ZGGFEAUJVRBIOY-UHFFFAOYSA-N -1 0 322.321 -0.095 20 0 DBADRM NC(=O)N1CCCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000831199644 603995723 /nfs/dbraw/zinc/99/57/23/603995723.db2.gz GALVPJZUOFOQNV-GFCCVEGCSA-N -1 0 302.306 -0.309 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC[C@@H](C3OCCO3)C2)C1 ZINC000831852830 603996725 /nfs/dbraw/zinc/99/67/25/603996725.db2.gz VMJBRLCRUBGQAE-SNVBAGLBSA-N -1 0 314.338 -0.023 20 0 DBADRM C[C@H](CC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)NC(=O)[O-] ZINC000824598624 603996760 /nfs/dbraw/zinc/99/67/60/603996760.db2.gz FYFREGPHFAQXFF-SECBINFHSA-N -1 0 309.326 -0.359 20 0 DBADRM Cn1cc(N2CCN(C(=O)C(C)(C)NC(=O)[O-])CC2=O)cn1 ZINC000831009023 603997272 /nfs/dbraw/zinc/99/72/72/603997272.db2.gz HWUMGQSQHSBALA-UHFFFAOYSA-N -1 0 309.326 -0.359 20 0 DBADRM NS(=O)(=O)CCNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000831246335 604002989 /nfs/dbraw/zinc/00/29/89/604002989.db2.gz PQJKBOFJMIYHFW-JGVFFNPUSA-N -1 0 308.360 -0.990 20 0 DBADRM CN(C)c1ncc(CNC(=O)COC2CN(C(=O)[O-])C2)n1C ZINC000828080475 604007491 /nfs/dbraw/zinc/00/74/91/604007491.db2.gz DFPWUKNFVKJQSI-UHFFFAOYSA-N -1 0 311.342 -0.519 20 0 DBADRM NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)COC1CN(C(=O)[O-])C1 ZINC000831173748 604007726 /nfs/dbraw/zinc/00/77/26/604007726.db2.gz NZMDYBWZPYXUFP-MNOVXSKESA-N -1 0 313.354 -0.084 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)COC1CN(C(=O)[O-])C1 ZINC000823738334 604008200 /nfs/dbraw/zinc/00/82/00/604008200.db2.gz WHENUJVQTKAXJV-BDAKNGLRSA-N -1 0 322.383 -0.355 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC[C@H]2Cn2cncn2)C1 ZINC000831857630 604008670 /nfs/dbraw/zinc/00/86/70/604008670.db2.gz CVTHDUQCWBRCDG-JTQLQIEISA-N -1 0 309.326 -0.352 20 0 DBADRM COCCN1CCN(C(=O)COC2CN(C(=O)[O-])C2)C[C@H]1C ZINC000828989671 604010807 /nfs/dbraw/zinc/01/08/07/604010807.db2.gz AQHGVYZOIMDPTE-LLVKDONJSA-N -1 0 315.370 -0.456 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000825179460 604011691 /nfs/dbraw/zinc/01/16/91/604011691.db2.gz ZMAYANPETLHYPX-ZCFIWIBFSA-N -1 0 300.344 -0.575 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000825779190 604012369 /nfs/dbraw/zinc/01/23/69/604012369.db2.gz WPFCYBIDUFPVFA-IUCAKERBSA-N -1 0 320.367 -0.601 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000825779188 604012576 /nfs/dbraw/zinc/01/25/76/604012576.db2.gz WPFCYBIDUFPVFA-BDAKNGLRSA-N -1 0 320.367 -0.601 20 0 DBADRM CCCC[C@H](CNC(=O)[O-])NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000826782029 604012633 /nfs/dbraw/zinc/01/26/33/604012633.db2.gz UOAGJNSKVXFJIA-RKDXNWHRSA-N -1 0 309.388 -0.133 20 0 DBADRM CCCC[C@H](CNC(=O)[O-])NC(=O)[C@H](C)NS(C)(=O)=O ZINC000826782027 604012978 /nfs/dbraw/zinc/01/29/78/604012978.db2.gz UOAGJNSKVXFJIA-DTWKUNHWSA-N -1 0 309.388 -0.133 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000826093495 604014833 /nfs/dbraw/zinc/01/48/33/604014833.db2.gz FUKVJTGMSQLBCZ-QMMMGPOBSA-N -1 0 306.340 -0.989 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000831852319 604019597 /nfs/dbraw/zinc/01/95/97/604019597.db2.gz NFNGICGNGZEYTJ-NSHDSACASA-N -1 0 313.354 -0.702 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000825267513 604023979 /nfs/dbraw/zinc/02/39/79/604023979.db2.gz YYHFVVXXPSLBCE-DTWKUNHWSA-N -1 0 312.326 -0.267 20 0 DBADRM CN(CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])S(C)(=O)=O ZINC000828090112 604025673 /nfs/dbraw/zinc/02/56/73/604025673.db2.gz KIIUKFXIMXESNL-ZJUUUORDSA-N -1 0 319.383 -0.379 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825510356 604027145 /nfs/dbraw/zinc/02/71/45/604027145.db2.gz WXDSMDANCWFOJH-BBBLOLIVSA-N -1 0 319.383 -0.333 20 0 DBADRM O=C([O-])NCc1nnnn1CC(=O)NCCOc1ccccc1 ZINC000832738159 604030655 /nfs/dbraw/zinc/03/06/55/604030655.db2.gz GTRPIKRKNQMDLB-UHFFFAOYSA-N -1 0 320.309 -0.364 20 0 DBADRM COc1ccc(CNC(=O)Cn2nnnc2CNC(=O)[O-])cc1 ZINC000829380188 604032286 /nfs/dbraw/zinc/03/22/86/604032286.db2.gz BOUHIRPLWLFXAN-UHFFFAOYSA-N -1 0 320.309 -0.234 20 0 DBADRM COC1(C(=O)N[C@@H]2CCCN(C)C2=O)CCN(C(=O)[O-])CC1 ZINC000828857047 604035035 /nfs/dbraw/zinc/03/50/35/604035035.db2.gz YQYDCRRRMUCDSD-SNVBAGLBSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000824755697 604057544 /nfs/dbraw/zinc/05/75/44/604057544.db2.gz YYNSRXBKVVPFPC-VIFPVBQESA-N -1 0 300.359 -0.559 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@]2(C)CCN(C(=O)[O-])C2)CC1 ZINC000828542321 604061502 /nfs/dbraw/zinc/06/15/02/604061502.db2.gz JGOVBDFWZWEJKM-CQSZACIVSA-N -1 0 312.370 -0.733 20 0 DBADRM CCNC(=O)C1CN(C(=O)C2(OC)CCN(C(=O)[O-])CC2)C1 ZINC000827237238 604065224 /nfs/dbraw/zinc/06/52/24/604065224.db2.gz PXFBBEIHMOVQOX-UHFFFAOYSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(C)(CNC(=O)NCCN1CCCS1(=O)=O)NC(=O)[O-] ZINC000823936595 604078842 /nfs/dbraw/zinc/07/88/42/604078842.db2.gz JKQVCESBSQGISD-UHFFFAOYSA-N -1 0 322.387 -0.633 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)NCC(C)(C)NC(=O)[O-] ZINC000824382614 604078890 /nfs/dbraw/zinc/07/88/90/604078890.db2.gz SNWVSYXGWJOWIK-UHFFFAOYSA-N -1 0 324.403 -0.340 20 0 DBADRM C[C@@H](CC(=O)N1CCN(c2nc(N)ns2)CC1)NC(=O)[O-] ZINC000824598385 604079499 /nfs/dbraw/zinc/07/94/99/604079499.db2.gz CNSOZJXYOGJWIO-ZETCQYMHSA-N -1 0 314.371 -0.185 20 0 DBADRM CS(=O)(=O)Cc1noc(CN2CCC[C@H]2CNC(=O)[O-])n1 ZINC000829679111 604080056 /nfs/dbraw/zinc/08/00/56/604080056.db2.gz GIWBERXXPPDENO-QMMMGPOBSA-N -1 0 318.355 -0.154 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000824840301 604080121 /nfs/dbraw/zinc/08/01/21/604080121.db2.gz JXHBRZPHCZYEGS-JTQLQIEISA-N -1 0 321.399 -0.274 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)CC(C)(C)NC(=O)[O-])n1 ZINC000828547976 604083789 /nfs/dbraw/zinc/08/37/89/604083789.db2.gz ZDNFIWYBSPBAED-UHFFFAOYSA-N -1 0 314.298 -0.162 20 0 DBADRM COCCONC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000829007841 604086547 /nfs/dbraw/zinc/08/65/47/604086547.db2.gz QFOSOKHFOICCOF-UHFFFAOYSA-N -1 0 313.314 -0.099 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000828656327 604089338 /nfs/dbraw/zinc/08/93/38/604089338.db2.gz QNOPQUMCYVZGIF-DTWKUNHWSA-N -1 0 315.326 -0.878 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000828656329 604089492 /nfs/dbraw/zinc/08/94/92/604089492.db2.gz QNOPQUMCYVZGIF-RKDXNWHRSA-N -1 0 315.326 -0.878 20 0 DBADRM C[C@H](NC(=O)CN1CCC[C@@H]1CN(C)C(=O)[O-])C(=O)N(C)C ZINC000825120297 604089792 /nfs/dbraw/zinc/08/97/92/604089792.db2.gz DIWCWIQLOYDEEQ-WDEREUQCSA-N -1 0 314.386 -0.347 20 0 DBADRM COC(=O)/C(C)=C\CN(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000828599689 604092008 /nfs/dbraw/zinc/09/20/08/604092008.db2.gz BZHJIUFTQCWPDF-WCIBSUBMSA-N -1 0 313.354 -0.140 20 0 DBADRM COC[C@H](C)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828895964 604099906 /nfs/dbraw/zinc/09/99/06/604099906.db2.gz FAWCZKFFBDVBQD-JTQLQIEISA-N -1 0 321.399 -0.669 20 0 DBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(CCCCO)C2)CC1 ZINC000832042190 604100261 /nfs/dbraw/zinc/10/02/61/604100261.db2.gz LASICZUNIQZEQW-UHFFFAOYSA-N -1 0 321.399 -0.932 20 0 DBADRM COCC(=O)NC1CCN(C(=O)[C@H](C)CN(C)C(=O)[O-])CC1 ZINC000828880864 604100961 /nfs/dbraw/zinc/10/09/61/604100961.db2.gz POUVHVIBGUGOEF-SNVBAGLBSA-N -1 0 315.370 -0.014 20 0 DBADRM C[C@@H](OC(=O)[C@]1(C)CCN(C(=O)[O-])C1)C(=O)N1CCNC1=O ZINC000825535363 604106434 /nfs/dbraw/zinc/10/64/34/604106434.db2.gz KVWHDPMQCPPHBV-AMIZOPFISA-N -1 0 313.310 -0.140 20 0 DBADRM C[C@H](CCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)NC(=O)[O-] ZINC000824787419 604109443 /nfs/dbraw/zinc/10/94/43/604109443.db2.gz XIYWFLDTDNWZFI-BDAKNGLRSA-N -1 0 309.326 -0.075 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000832372141 604113857 /nfs/dbraw/zinc/11/38/57/604113857.db2.gz VWLZDCXXNPMITH-RKDXNWHRSA-N -1 0 307.310 -0.369 20 0 DBADRM C[C@]1(C(=O)OCCCN2C(=O)CNC2=O)CCN(C(=O)[O-])C1 ZINC000825690762 604115592 /nfs/dbraw/zinc/11/55/92/604115592.db2.gz MVARHMJPNGAQEA-ZDUSSCGKSA-N -1 0 313.310 -0.139 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000825017257 604134343 /nfs/dbraw/zinc/13/43/43/604134343.db2.gz YVMFZCROJCNFMA-DTWKUNHWSA-N -1 0 307.372 -0.187 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000825017258 604134428 /nfs/dbraw/zinc/13/44/28/604134428.db2.gz YVMFZCROJCNFMA-IUCAKERBSA-N -1 0 307.372 -0.187 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000824830144 604135513 /nfs/dbraw/zinc/13/55/13/604135513.db2.gz CDGKQNBUHGADAD-AMIZOPFISA-N -1 0 312.326 -0.615 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCCCN1CCCS1(=O)=O ZINC000824853588 604140369 /nfs/dbraw/zinc/14/03/69/604140369.db2.gz BLIKXHLOULULHA-SNVBAGLBSA-N -1 0 321.399 -0.226 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1cccn(C)c1=O ZINC000826019788 604145875 /nfs/dbraw/zinc/14/58/75/604145875.db2.gz IGIHGVLARGGCGD-SECBINFHSA-N -1 0 322.321 -0.466 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N[C@@H](CNC(=O)[O-])C2CC2)c1=O ZINC000831022047 604148180 /nfs/dbraw/zinc/14/81/80/604148180.db2.gz AIQNIMTVTKEAGQ-JTQLQIEISA-N -1 0 322.321 -0.514 20 0 DBADRM COC[C@](C)(O)C(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000828886425 604153537 /nfs/dbraw/zinc/15/35/37/604153537.db2.gz VPIFSRGNHCPTSZ-ZDUSSCGKSA-N -1 0 303.359 -0.862 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCN(CCO)CC1 ZINC000826099161 604159476 /nfs/dbraw/zinc/15/94/76/604159476.db2.gz ADQWUDXZWNLWBB-QWRGUYRKSA-N -1 0 315.370 -0.374 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCC[S@](C)=O ZINC000828316732 604161214 /nfs/dbraw/zinc/16/12/14/604161214.db2.gz TZIMXFXRMLQWPF-NRFANRHFSA-N -1 0 320.415 -0.698 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](CN2CCN(C(=O)[O-])CC2)C1 ZINC000829683488 604161421 /nfs/dbraw/zinc/16/14/21/604161421.db2.gz SYHAPXWZOHSEDX-NSHDSACASA-N -1 0 305.400 -0.046 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)CC1(NC(=O)[O-])CCC1 ZINC000827266516 604162451 /nfs/dbraw/zinc/16/24/51/604162451.db2.gz UKQABJBTFPKXHK-UHFFFAOYSA-N -1 0 307.372 -0.378 20 0 DBADRM CC(C)[C@@H](CO)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000824435787 604164161 /nfs/dbraw/zinc/16/41/61/604164161.db2.gz YWLBTNCXYOQAOS-SNVBAGLBSA-N -1 0 316.358 -0.875 20 0 DBADRM CCNS(=O)(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000827265768 604164744 /nfs/dbraw/zinc/16/47/44/604164744.db2.gz NXABJYOGOVHNFO-UHFFFAOYSA-N -1 0 309.388 -0.021 20 0 DBADRM COC(=O)CNC(=O)CN1CCC[C@@H](C)[C@H]1CNC(=O)[O-] ZINC000828683152 604169652 /nfs/dbraw/zinc/16/96/52/604169652.db2.gz HGMSJTCBMWVZAI-NXEZZACHSA-N -1 0 301.343 -0.356 20 0 DBADRM COC(=O)CNC(=O)CN1CCC[C@H](C)[C@H]1CNC(=O)[O-] ZINC000828683158 604170232 /nfs/dbraw/zinc/17/02/32/604170232.db2.gz HGMSJTCBMWVZAI-VHSXEESVSA-N -1 0 301.343 -0.356 20 0 DBADRM O=C([O-])N1CCC[C@@H](CNC(=O)N2CCO[C@@H](CO)C2)C1 ZINC000831981279 604170291 /nfs/dbraw/zinc/17/02/91/604170291.db2.gz VLISKWDJAJCXKR-WDEREUQCSA-N -1 0 301.343 -0.221 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)CC1(NC(=O)[O-])CCC1 ZINC000831246111 604171249 /nfs/dbraw/zinc/17/12/49/604171249.db2.gz OPWFIVZZQGOAEJ-VIFPVBQESA-N -1 0 319.383 -0.154 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)[C@@H](C)CN(C)C(=O)[O-])CCO1 ZINC000823579437 604179209 /nfs/dbraw/zinc/17/92/09/604179209.db2.gz IBRVQQVKVBFCNJ-ONGXEEELSA-N -1 0 301.343 -0.404 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825508624 604180492 /nfs/dbraw/zinc/18/04/92/604180492.db2.gz IRTUITHRUTUYAR-GUBZILKMSA-N -1 0 321.399 -0.181 20 0 DBADRM O=C([O-])NC1(CC(=O)N2CC[C@]3(C2)NC(=O)NC3=O)CCC1 ZINC000832194379 604182937 /nfs/dbraw/zinc/18/29/37/604182937.db2.gz SJKWASGPEKZRMT-CYBMUJFWSA-N -1 0 310.310 -0.623 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000824853683 604187690 /nfs/dbraw/zinc/18/76/90/604187690.db2.gz BNIYFDMYSHQPCM-SECBINFHSA-N -1 0 322.383 -0.712 20 0 DBADRM C[C@]1(C(=O)O[C@H]2CC(=O)N(CC(N)=O)C2)CCN(C(=O)[O-])C1 ZINC000825684453 604188051 /nfs/dbraw/zinc/18/80/51/604188051.db2.gz GYVRTHKCOURVJO-SDBXPKJASA-N -1 0 313.310 -0.994 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC000825209171 604194913 /nfs/dbraw/zinc/19/49/13/604194913.db2.gz BGGOZJDMMRGFOG-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@H](COC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)NC(=O)[O-] ZINC000824988472 604195421 /nfs/dbraw/zinc/19/54/21/604195421.db2.gz SCNRKTJNQJDVKW-FUXBKTLASA-N -1 0 313.310 -0.094 20 0 DBADRM COCCN(CC(=O)N[C@@H]1CCCC[C@@H]1C(N)=O)C(=O)[O-] ZINC000828976206 604207348 /nfs/dbraw/zinc/20/73/48/604207348.db2.gz KEZDXRNPPKEEIO-VHSXEESVSA-N -1 0 301.343 -0.227 20 0 DBADRM C[C@H](COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)NC(=O)[O-] ZINC000824989419 604208415 /nfs/dbraw/zinc/20/84/15/604208415.db2.gz YISGDDFRFGISCX-PULIVWKDSA-N -1 0 311.294 -0.704 20 0 DBADRM C[C@@H](COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)NC(=O)[O-] ZINC000824989422 604208516 /nfs/dbraw/zinc/20/85/16/604208516.db2.gz YISGDDFRFGISCX-ZJELKQJVSA-N -1 0 311.294 -0.704 20 0 DBADRM C[C@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)[C@H]1CCOC1 ZINC000825592174 604210839 /nfs/dbraw/zinc/21/08/39/604210839.db2.gz HRWDVOAIPCGOGW-UWVGGRQHSA-N -1 0 300.311 -0.223 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)[C@H]2CSCN2C(=O)[O-])C1=O ZINC000824350095 604211873 /nfs/dbraw/zinc/21/18/73/604211873.db2.gz AANNFKGOQKMISO-HTQZYQBOSA-N -1 0 315.351 -0.309 20 0 DBADRM C[C@]1([C@H]2CCCN(C(=O)CCNC(=O)[O-])C2)NC(=O)NC1=O ZINC000825740277 604212577 /nfs/dbraw/zinc/21/25/77/604212577.db2.gz VGAGNQXIHKSOBW-ISVAXAHUSA-N -1 0 312.326 -0.519 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000825178371 604212832 /nfs/dbraw/zinc/21/28/32/604212832.db2.gz RRHOOGMWACXDLN-DAROEXNTSA-N -1 0 312.326 -0.521 20 0 DBADRM Cn1c(N2CCC[C@H](NC(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000830978754 604216688 /nfs/dbraw/zinc/21/66/88/604216688.db2.gz MCSZDZCLBDYOCS-ZETCQYMHSA-N -1 0 322.325 -0.391 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CCNC(N)=O ZINC000826115167 604223935 /nfs/dbraw/zinc/22/39/35/604223935.db2.gz BXTIUASDRSINLR-YUMQZZPRSA-N -1 0 302.331 -0.336 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(c2ncc(S(N)(=O)=O)s2)C1 ZINC000827901792 604225564 /nfs/dbraw/zinc/22/55/64/604225564.db2.gz ZYYODXNTKRZKGY-ZCFIWIBFSA-N -1 0 306.369 -0.021 20 0 DBADRM CC(C)(C(=O)OCC(=O)N1CCC1)N1CCN(C(=O)[O-])CC1 ZINC000823744081 604227193 /nfs/dbraw/zinc/22/71/93/604227193.db2.gz WIZFMHSYKPWGAD-UHFFFAOYSA-N -1 0 313.354 -0.164 20 0 DBADRM COCCN(CC(=O)N1C[C@H](C)[C@@H](C(=O)OC)C1)C(=O)[O-] ZINC000828970917 604244379 /nfs/dbraw/zinc/24/43/79/604244379.db2.gz JGLIJYHOAUQQHO-UWVGGRQHSA-N -1 0 302.327 -0.120 20 0 DBADRM CC(C)[C@@H](OC(=O)[C@H](C)CN(C)C(=O)[O-])C(=O)NC(N)=O ZINC000824880914 604248297 /nfs/dbraw/zinc/24/82/97/604248297.db2.gz PQXFVVHIJAMADV-HTQZYQBOSA-N -1 0 303.315 -0.005 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])OCCN1CCNC1=O ZINC000831478676 604253429 /nfs/dbraw/zinc/25/34/29/604253429.db2.gz DEMSXGAFQZAGBU-JTQLQIEISA-N -1 0 315.326 -0.286 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000828573941 604260940 /nfs/dbraw/zinc/26/09/40/604260940.db2.gz YNVNBPLRAPSGJS-IUCAKERBSA-N -1 0 307.372 -0.570 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828573937 604260960 /nfs/dbraw/zinc/26/09/60/604260960.db2.gz YNVNBPLRAPSGJS-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828573943 604260978 /nfs/dbraw/zinc/26/09/78/604260978.db2.gz YNVNBPLRAPSGJS-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM CC(C)(C)N1C[C@@H](NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1=O ZINC000823773729 604265095 /nfs/dbraw/zinc/26/50/95/604265095.db2.gz VIHYFOWYBUHQKX-UWVGGRQHSA-N -1 0 313.354 -0.119 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@@]1(CCO)CCOC1 ZINC000831626880 604269553 /nfs/dbraw/zinc/26/95/53/604269553.db2.gz AZAGKGFCRBWLMV-ZWNOBZJWSA-N -1 0 302.327 -0.730 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NC[C@]1(CCO)CCOC1 ZINC000831627150 604269987 /nfs/dbraw/zinc/26/99/87/604269987.db2.gz GRLNHRBEWCJNRP-KWBADKCTSA-N -1 0 302.327 -0.995 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)NC[C@@]2(O)CCSC2)C1 ZINC000831381439 604270782 /nfs/dbraw/zinc/27/07/82/604270782.db2.gz KBGFEBJTUZSVQG-SKDRFNHKSA-N -1 0 304.368 -0.261 20 0 DBADRM COCCCOC1CN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828950332 604271859 /nfs/dbraw/zinc/27/18/59/604271859.db2.gz GHKCMTLZPBQSOM-LLVKDONJSA-N -1 0 302.327 -0.371 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000824351368 604272231 /nfs/dbraw/zinc/27/22/31/604272231.db2.gz MWMZAHSTAHYTKR-DTWKUNHWSA-N -1 0 313.310 -0.983 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000828662581 604275021 /nfs/dbraw/zinc/27/50/21/604275021.db2.gz BHQBTIFUIQYCGG-VHSXEESVSA-N -1 0 316.310 -0.844 20 0 DBADRM O=C([O-])NC[C@@H](NC(=O)NC[C@H]1CCCS1(=O)=O)C1CC1 ZINC000832428908 604276570 /nfs/dbraw/zinc/27/65/70/604276570.db2.gz XRUIMMFUMUNASO-NXEZZACHSA-N -1 0 319.383 -0.091 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)nn1 ZINC000825528730 604278769 /nfs/dbraw/zinc/27/87/69/604278769.db2.gz SAICNAATIQQGHY-BBBLOLIVSA-N -1 0 311.342 -0.069 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])nn1 ZINC000825528370 604278799 /nfs/dbraw/zinc/27/87/99/604278799.db2.gz LVVJBMPULXSHMR-GUBZILKMSA-N -1 0 311.342 -0.116 20 0 DBADRM CC(C)(CNC(=O)NC[C@@H]1CCCS1(=O)=O)NC(=O)[O-] ZINC000823931019 604279887 /nfs/dbraw/zinc/27/98/87/604279887.db2.gz UMCZNMCDJSWVMR-QMMMGPOBSA-N -1 0 307.372 -0.091 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CC[C@@H](NC(=O)[O-])C2)C1=O ZINC000739809804 604291321 /nfs/dbraw/zinc/29/13/21/604291321.db2.gz GVFRQGBMFRLJET-PRHODGIISA-N -1 0 300.315 -0.757 20 0 DBADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])C1CC1)S(=O)(=O)C1CCOCC1 ZINC000825989109 604297489 /nfs/dbraw/zinc/29/74/89/604297489.db2.gz ASONKYAFUBNXTM-GZMMTYOYSA-N -1 0 319.379 -0.052 20 0 DBADRM COc1cc2c(nn1)CCN(C(=O)[C@H]1COCCN1C(=O)[O-])C2 ZINC000829225100 604308658 /nfs/dbraw/zinc/30/86/58/604308658.db2.gz NUZBOHAJWOCLHE-LLVKDONJSA-N -1 0 322.321 -0.251 20 0 DBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)[C@@H](C)NC(=O)[O-] ZINC000826690763 604311272 /nfs/dbraw/zinc/31/12/72/604311272.db2.gz MFAJXDQFZNCIGJ-OPRDCNLKSA-N -1 0 321.399 -0.181 20 0 DBADRM CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000827334119 604323727 /nfs/dbraw/zinc/32/37/27/604323727.db2.gz OUSIRQWMYOMYNO-HBNTYKKESA-N -1 0 314.338 -0.099 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000828902316 604332308 /nfs/dbraw/zinc/33/23/08/604332308.db2.gz DORLRFNCBDYEHR-ZJUUUORDSA-N -1 0 309.388 -0.765 20 0 DBADRM C[C@@H](CC(=O)NC1CCC(C(=O)NC(N)=O)CC1)NC(=O)[O-] ZINC000824614960 604343858 /nfs/dbraw/zinc/34/38/58/604343858.db2.gz RAIWEHLZAAOBSY-UEJVZZJDSA-N -1 0 314.342 -0.098 20 0 DBADRM C[C@H](CC(=O)NC1CCC(C(=O)NC(N)=O)CC1)NC(=O)[O-] ZINC000824614958 604344069 /nfs/dbraw/zinc/34/40/69/604344069.db2.gz RAIWEHLZAAOBSY-AFPNSQJFSA-N -1 0 314.342 -0.098 20 0 DBADRM C[C@]1(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CCN(C(=O)[O-])C1 ZINC000825656858 604345008 /nfs/dbraw/zinc/34/50/08/604345008.db2.gz MKYHEIKIKNLEQZ-SDBXPKJASA-N -1 0 310.310 -0.861 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)CN2CCN(C(=O)[O-])CC2=O)o1 ZINC000830880668 604345443 /nfs/dbraw/zinc/34/54/43/604345443.db2.gz NMMAAGMWALYFST-SSDOTTSWSA-N -1 0 311.298 -0.623 20 0 DBADRM CN(CCCNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)C(=O)[O-] ZINC000828294079 604352131 /nfs/dbraw/zinc/35/21/31/604352131.db2.gz URMVXNSISUYUCW-DTWKUNHWSA-N -1 0 302.331 -0.682 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)O1 ZINC000831174500 604352413 /nfs/dbraw/zinc/35/24/13/604352413.db2.gz UPWXZEGYBRHLBO-HLTSFMKQSA-N -1 0 300.315 -0.929 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@H]2CCN(C(=O)[O-])C2)O1 ZINC000831174499 604352599 /nfs/dbraw/zinc/35/25/99/604352599.db2.gz UPWXZEGYBRHLBO-CIUDSAMLSA-N -1 0 300.315 -0.929 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@@H](CNC(=O)[O-])C2CC2)O1 ZINC000831174593 604352670 /nfs/dbraw/zinc/35/26/70/604352670.db2.gz WCLQUGRCCNPKDJ-GUBZILKMSA-N -1 0 314.342 -0.635 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CCN1C(=O)[O-] ZINC000825996204 604354393 /nfs/dbraw/zinc/35/43/93/604354393.db2.gz KWHILNLNBQZUFR-BBBLOLIVSA-N -1 0 314.342 -0.587 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000830122661 604355153 /nfs/dbraw/zinc/35/51/53/604355153.db2.gz OGYYFYNMDHGDFV-SNVBAGLBSA-N -1 0 309.322 -0.022 20 0 DBADRM CC(C)[C@H](CNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)NC(=O)[O-] ZINC000824117684 604355200 /nfs/dbraw/zinc/35/52/00/604355200.db2.gz QWSYGHMOGVXUJZ-UTLUCORTSA-N -1 0 316.358 -0.389 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC[C@@H]2CNC(=O)[O-])O1 ZINC000831173381 604356110 /nfs/dbraw/zinc/35/61/10/604356110.db2.gz MEZDPFLHBATCSU-UTLUCORTSA-N -1 0 314.342 -0.539 20 0 DBADRM CCOC(=O)C1CCN(C(=O)CN(C)CCNC(=O)[O-])CC1 ZINC000827297567 604362802 /nfs/dbraw/zinc/36/28/02/604362802.db2.gz KOROODUXBCBHCR-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM O=C([O-])NCCN1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000832642199 604368982 /nfs/dbraw/zinc/36/89/82/604368982.db2.gz VMNCXSQGELMRNW-UHFFFAOYSA-N -1 0 318.355 -0.610 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)N2CCO[C@@H](CO)C2)c(C(=O)[O-])c1C ZINC000825929316 604369120 /nfs/dbraw/zinc/36/91/20/604369120.db2.gz PPCNVYIZWLQCKM-SNVBAGLBSA-N -1 0 324.333 -0.014 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)[C@@H](NC(=O)[O-])C(C)C)n1 ZINC000828546576 604385605 /nfs/dbraw/zinc/38/56/05/604385605.db2.gz DXBDYWNLBSYLAW-JTQLQIEISA-N -1 0 314.298 -0.307 20 0 DBADRM CC(C)N(CCC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC000824336838 604393414 /nfs/dbraw/zinc/39/34/14/604393414.db2.gz ZYKAWCHAYDBOQR-ZJUUUORDSA-N -1 0 301.343 -0.086 20 0 DBADRM CC(C)N(CCC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC000824336836 604393475 /nfs/dbraw/zinc/39/34/75/604393475.db2.gz ZYKAWCHAYDBOQR-UWVGGRQHSA-N -1 0 301.343 -0.086 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)CC2CCN(C(=O)[O-])CC2)O1 ZINC000831174026 604394220 /nfs/dbraw/zinc/39/42/20/604394220.db2.gz QFNVXSMVSYERMT-MNOVXSKESA-N -1 0 313.354 -0.084 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)CC2CCN(C(=O)[O-])CC2)O1 ZINC000831174028 604394344 /nfs/dbraw/zinc/39/43/44/604394344.db2.gz QFNVXSMVSYERMT-QWRGUYRKSA-N -1 0 313.354 -0.084 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000826945202 604394419 /nfs/dbraw/zinc/39/44/19/604394419.db2.gz VLOYXFYRKXZOGK-SNVBAGLBSA-N -1 0 321.399 -0.779 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)C2CCC(NC(=O)[O-])CC2)O1 ZINC000831174763 604394765 /nfs/dbraw/zinc/39/47/65/604394765.db2.gz ZEFSPDWUZRVEFD-JPPWEJMLSA-N -1 0 313.354 -0.038 20 0 DBADRM COC(=O)N(C)CC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000828700794 604400869 /nfs/dbraw/zinc/40/08/69/604400869.db2.gz ZMCMZPAZHBTXIA-SECBINFHSA-N -1 0 302.331 -0.905 20 0 DBADRM CN1CCN(C(=O)c2cnn3cccnc23)[C@@H](CNC(=O)[O-])C1 ZINC000828512993 604401781 /nfs/dbraw/zinc/40/17/81/604401781.db2.gz DRBRKJJQXSNDMH-JTQLQIEISA-N -1 0 318.337 -0.247 20 0 DBADRM CN1CCN(C(=O)COC2CCOCC2)[C@H](CNC(=O)[O-])C1 ZINC000828500275 604402965 /nfs/dbraw/zinc/40/29/65/604402965.db2.gz IBCJVXQBWOXKIP-LLVKDONJSA-N -1 0 315.370 -0.408 20 0 DBADRM CN1CCN(C(=O)c2c[nH]c(C(N)=O)c2)[C@@H](CNC(=O)[O-])C1 ZINC000828507823 604403269 /nfs/dbraw/zinc/40/32/69/604403269.db2.gz UAUXQFLSOAZCCK-VIFPVBQESA-N -1 0 309.326 -0.863 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])n1 ZINC000830018270 604408140 /nfs/dbraw/zinc/40/81/40/604408140.db2.gz WAPNFBIROCLXTC-LBPRGKRZSA-N -1 0 309.370 -0.090 20 0 DBADRM CC(C)OC(=O)[C@H](C)N(C)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000824387801 604408228 /nfs/dbraw/zinc/40/82/28/604408228.db2.gz HXCBKSKIOHVDAK-GUBZILKMSA-N -1 0 302.327 -0.102 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)[C@@H](CNC(=O)[O-])C1 ZINC000828494156 604411683 /nfs/dbraw/zinc/41/16/83/604411683.db2.gz HRTKIERHVISKOS-PWSUYJOCSA-N -1 0 321.381 -0.075 20 0 DBADRM CN1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)[C@H](CNC(=O)[O-])C1 ZINC000828494154 604411805 /nfs/dbraw/zinc/41/18/05/604411805.db2.gz HRTKIERHVISKOS-CMPLNLGQSA-N -1 0 321.381 -0.075 20 0 DBADRM O=C([O-])N1CC(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)C1 ZINC000833358610 604413519 /nfs/dbraw/zinc/41/35/19/604413519.db2.gz WFDMHERDHBQNOA-UHFFFAOYSA-N -1 0 312.303 -0.003 20 0 DBADRM Cc1ccc(S(=O)(=O)NC2CN(C(=O)[O-])C2)cc1C(N)=O ZINC000740148189 604414432 /nfs/dbraw/zinc/41/44/32/604414432.db2.gz SLGZRWNJNYRQNN-UHFFFAOYSA-N -1 0 313.335 -0.266 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000828508361 604415533 /nfs/dbraw/zinc/41/55/33/604415533.db2.gz CONKGHSRTIRKRB-BXKDBHETSA-N -1 0 322.317 -0.069 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CC[C@H](CNC(=O)[O-])C2)O1 ZINC000831174786 604417401 /nfs/dbraw/zinc/41/74/01/604417401.db2.gz ZLYIKWONDLESFW-UTLUCORTSA-N -1 0 314.342 -0.682 20 0 DBADRM C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000827747848 604418683 /nfs/dbraw/zinc/41/86/83/604418683.db2.gz VBXXNZMABJHFHG-KCJUWKMLSA-N -1 0 317.367 -0.290 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@H]2OCCN(C)[C@H]2C1)C(=O)[O-] ZINC000826788604 604423788 /nfs/dbraw/zinc/42/37/88/604423788.db2.gz ZDIIHZCHYVGHAB-RWMBFGLXSA-N -1 0 313.398 -0.383 20 0 DBADRM CC[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)CCCOC)CC1 ZINC000828603927 604423930 /nfs/dbraw/zinc/42/39/30/604423930.db2.gz RBACPDZXQGBDQU-NSHDSACASA-N -1 0 308.400 -0.167 20 0 DBADRM CN1CCO[C@@H]2CN(Cc3noc(CCCC(=O)[O-])n3)C[C@@H]21 ZINC000830965439 604424241 /nfs/dbraw/zinc/42/42/41/604424241.db2.gz RBSXISXNDPENHY-WDEREUQCSA-N -1 0 310.354 -0.008 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000826994815 604439706 /nfs/dbraw/zinc/43/97/06/604439706.db2.gz CKRHMHSYAVDTGF-VHSXEESVSA-N -1 0 307.368 -0.242 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(c2nc3c(cnn3C)c(=O)[nH]2)CCO1 ZINC000825370574 604450381 /nfs/dbraw/zinc/45/03/81/604450381.db2.gz BEVPRAUPCZSMEL-VXNVDRBHSA-N -1 0 322.325 -0.070 20 0 DBADRM C[C@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)[C@@H]1CN(C)CCO1 ZINC000827681741 604473314 /nfs/dbraw/zinc/47/33/14/604473314.db2.gz PLJRBTBUKREJBJ-UWVGGRQHSA-N -1 0 311.342 -0.192 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCOC[C@H]1CCO)C(=O)[O-] ZINC000833640454 604478471 /nfs/dbraw/zinc/47/84/71/604478471.db2.gz YHMJAHBONHKAOY-DMDPSCGWSA-N -1 0 302.371 -0.315 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N2CC[C@@H](NC(=O)[O-])C2)C1=O ZINC000739724372 604478458 /nfs/dbraw/zinc/47/84/58/604478458.db2.gz QNJBWOOFDLNADQ-SECBINFHSA-N -1 0 312.326 -0.471 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828904878 604491475 /nfs/dbraw/zinc/49/14/75/604491475.db2.gz XTWLHJMZGOTGMK-LPEHRKFASA-N -1 0 310.372 -0.292 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CC[C@@H](NC(=O)[O-])C2)n1C ZINC000830887497 604493733 /nfs/dbraw/zinc/49/37/33/604493733.db2.gz LZEDTMROMAZUAZ-SNVBAGLBSA-N -1 0 310.358 -0.576 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)CCO1 ZINC000825371634 604496053 /nfs/dbraw/zinc/49/60/53/604496053.db2.gz HCCMTXOYRYFHMD-WPRPVWTQSA-N -1 0 318.355 -0.534 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000740342131 604505649 /nfs/dbraw/zinc/50/56/49/604505649.db2.gz YNBNAKXSKCGOCA-SECBINFHSA-N -1 0 313.335 -0.184 20 0 DBADRM CNC(=O)[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(C)C ZINC000830979426 604506944 /nfs/dbraw/zinc/50/69/44/604506944.db2.gz VKRAQAFZRCZZOK-SNVBAGLBSA-N -1 0 318.355 -0.983 20 0 DBADRM CC(C)(CNC(=O)N1CCC[C@@H]1CC(=O)[O-])NS(C)(=O)=O ZINC000111774779 604511719 /nfs/dbraw/zinc/51/17/19/604511719.db2.gz GAFOSEILODOWHB-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000231020047 604511883 /nfs/dbraw/zinc/51/18/83/604511883.db2.gz JUBYQSLCVXVPQK-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM CCc1noc(C)c1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000820503859 604520226 /nfs/dbraw/zinc/52/02/26/604520226.db2.gz ILPQZLCBVZPJBS-VIFPVBQESA-N -1 0 311.294 -0.204 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000831283040 604522433 /nfs/dbraw/zinc/52/24/33/604522433.db2.gz JNPNIGZJBUDXIE-SFYZADRCSA-N -1 0 301.324 -0.298 20 0 DBADRM C[C@]1([C@@H]2CCCN(C(=O)C3(NC(=O)[O-])CC3)C2)NC(=O)NC1=O ZINC000825740212 604523641 /nfs/dbraw/zinc/52/36/41/604523641.db2.gz SZXYQVRPNCZGHG-AMIZOPFISA-N -1 0 324.337 -0.377 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@H]2CCCS2(=O)=O)CCO1 ZINC000134194621 604538017 /nfs/dbraw/zinc/53/80/17/604538017.db2.gz SRTVNOGGNOOOTB-BDAKNGLRSA-N -1 0 306.340 -0.941 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)C1(NC(=O)[O-])CC1)CC2 ZINC000829049925 604547337 /nfs/dbraw/zinc/54/73/37/604547337.db2.gz MGUXMOSSONENQJ-MRVPVSSYSA-N -1 0 309.326 -0.344 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)N[C@@H]2CCCNC2=O)c1 ZINC000833150157 604549205 /nfs/dbraw/zinc/54/92/05/604549205.db2.gz DLQCSSXGZSVSKQ-SSDOTTSWSA-N -1 0 311.319 -0.220 20 0 DBADRM CC[S@](=O)CCNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827486964 604553293 /nfs/dbraw/zinc/55/32/93/604553293.db2.gz BKKIIGOICYMDNV-QDXVKYEASA-N -1 0 321.399 -0.179 20 0 DBADRM CC[S@](=O)CCNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827486966 604553525 /nfs/dbraw/zinc/55/35/25/604553525.db2.gz BKKIIGOICYMDNV-YRMIWKTRSA-N -1 0 321.399 -0.179 20 0 DBADRM C[C@](O)(CC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1CC1 ZINC000833526381 604555864 /nfs/dbraw/zinc/55/58/64/604555864.db2.gz VFCKYPPNXKQQSV-HNNXBMFYSA-N -1 0 314.382 -0.217 20 0 DBADRM Cc1noc(CNC(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)n1 ZINC000830925227 604561935 /nfs/dbraw/zinc/56/19/35/604561935.db2.gz TXFFPTNYFJFYKI-IONNQARKSA-N -1 0 313.314 -0.055 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000829683560 604569797 /nfs/dbraw/zinc/56/97/97/604569797.db2.gz UYQLVECESQRSOD-UHFFFAOYSA-N -1 0 320.371 -0.928 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)NC1CN(C(=O)[O-])C1 ZINC000827476162 604573037 /nfs/dbraw/zinc/57/30/37/604573037.db2.gz USYQNRSPJNHCGF-UHFFFAOYSA-N -1 0 322.387 -0.681 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827250916 604576514 /nfs/dbraw/zinc/57/65/14/604576514.db2.gz VQMOSTQVYLALDX-JTQLQIEISA-N -1 0 313.358 -0.205 20 0 DBADRM COC(=O)N1CCC(NC(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000828704531 604577310 /nfs/dbraw/zinc/57/73/10/604577310.db2.gz KXIKSFOWINGGKD-UHFFFAOYSA-N -1 0 300.315 -0.121 20 0 DBADRM C[C@@H](CC(=O)NCCS(N)(=O)=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824654444 604578098 /nfs/dbraw/zinc/57/80/98/604578098.db2.gz FXNLDIIKXPCRKQ-VHSXEESVSA-N -1 0 321.399 -0.193 20 0 DBADRM Cn1cc(/C=C\C(=O)N2CCC[C@H]2CC(=O)[O-])c(=O)n(C)c1=O ZINC000833043572 604580232 /nfs/dbraw/zinc/58/02/32/604580232.db2.gz CRXJSLJHWSRJPN-GZTOBOFZSA-N -1 0 321.333 -0.437 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000828705492 604582453 /nfs/dbraw/zinc/58/24/53/604582453.db2.gz WDRTZXXNZLZSPJ-MRVPVSSYSA-N -1 0 300.315 -0.121 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000827242229 604585974 /nfs/dbraw/zinc/58/59/74/604585974.db2.gz MMLUZBXFXKCZID-DTWKUNHWSA-N -1 0 316.383 -0.041 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000827243262 604587120 /nfs/dbraw/zinc/58/71/20/604587120.db2.gz XGXNALXUIZWKTR-RNCFNFMXSA-N -1 0 316.333 -0.002 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000827251309 604587196 /nfs/dbraw/zinc/58/71/96/604587196.db2.gz XVNWWTXBEXCGPF-SECBINFHSA-N -1 0 314.342 -0.715 20 0 DBADRM O=C([O-])N1CC(NC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000831609949 604587616 /nfs/dbraw/zinc/58/76/16/604587616.db2.gz FGOKYKPZFTYZJO-SSDOTTSWSA-N -1 0 324.259 -0.189 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)NC3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000831004395 604589034 /nfs/dbraw/zinc/58/90/34/604589034.db2.gz JDGSFFYOJIHSOR-SNVBAGLBSA-N -1 0 322.325 -0.813 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000740586389 604589084 /nfs/dbraw/zinc/58/90/84/604589084.db2.gz FEUMBLHCASCLSU-RKDXNWHRSA-N -1 0 305.356 -0.527 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000740586387 604589472 /nfs/dbraw/zinc/58/94/72/604589472.db2.gz FEUMBLHCASCLSU-DTWKUNHWSA-N -1 0 305.356 -0.527 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000829669296 604589511 /nfs/dbraw/zinc/58/95/11/604589511.db2.gz MKYYMVBHOXFAEO-SNVBAGLBSA-N -1 0 320.367 -0.599 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)NC1CN(C(=O)[O-])C1)CC2 ZINC000829049262 604596291 /nfs/dbraw/zinc/59/62/91/604596291.db2.gz BTIZTYUKUIESFE-QMMMGPOBSA-N -1 0 324.341 -0.599 20 0 DBADRM CCOCCNC(=O)CN1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827404946 604597526 /nfs/dbraw/zinc/59/75/26/604597526.db2.gz JMGCGFYFIYGXPY-QWRGUYRKSA-N -1 0 303.359 -0.504 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CCCC(=O)NC(N)=O)CCO1 ZINC000825349303 604600550 /nfs/dbraw/zinc/60/05/50/604600550.db2.gz AUXNXMHYAXVUIS-DTWKUNHWSA-N -1 0 302.331 -0.682 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828684613 604609238 /nfs/dbraw/zinc/60/92/38/604609238.db2.gz YNNPVGAPLCDHRQ-UTLUCORTSA-N -1 0 317.342 -0.979 20 0 DBADRM COC(=O)CNC(=O)CCN1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828683695 604612275 /nfs/dbraw/zinc/61/22/75/604612275.db2.gz MEDBXRBWSYNZRN-ZJUUUORDSA-N -1 0 317.342 -0.977 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NC1CN(C(=O)[O-])C1 ZINC000827472723 604613110 /nfs/dbraw/zinc/61/31/10/604613110.db2.gz YBLLCUGLJFHPFG-MRVPVSSYSA-N -1 0 307.372 -0.187 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CCCS(=O)(=O)N(C)C)CCO1 ZINC000825353909 604614178 /nfs/dbraw/zinc/61/41/78/604614178.db2.gz YSUJOCNBVVAGLQ-GHMZBOCLSA-N -1 0 323.415 -0.375 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CCCS(=O)(=O)N(C)C)CCO1 ZINC000825353912 604614344 /nfs/dbraw/zinc/61/43/44/604614344.db2.gz YSUJOCNBVVAGLQ-WDEREUQCSA-N -1 0 323.415 -0.375 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NC1CN(C(=O)[O-])C1 ZINC000823737282 604616620 /nfs/dbraw/zinc/61/66/20/604616620.db2.gz GHANDKKOPQJHHW-HTQZYQBOSA-N -1 0 307.372 -0.188 20 0 DBADRM COC(=O)CCNC(=O)CN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828675845 604623253 /nfs/dbraw/zinc/62/32/53/604623253.db2.gz RGYYYSFFNOENBS-NXEZZACHSA-N -1 0 317.342 -0.977 20 0 DBADRM CCN(C(=O)c1cn(CC(=O)N(C)C)nn1)C1CN(C(=O)[O-])C1 ZINC000826983250 604628795 /nfs/dbraw/zinc/62/87/95/604628795.db2.gz IVQFXJNHVZPNDO-UHFFFAOYSA-N -1 0 324.341 -0.809 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCc1csc(=O)[nH]1 ZINC000831489295 604633418 /nfs/dbraw/zinc/63/34/18/604633418.db2.gz QUXXXSLXXGPPIY-UHFFFAOYSA-N -1 0 314.323 -0.713 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)[C@@H]1CCC(=O)O1)C(=O)[O-] ZINC000826785916 604643688 /nfs/dbraw/zinc/64/36/88/604643688.db2.gz HIYUQCJGNNLFLB-IUCAKERBSA-N -1 0 301.295 -0.149 20 0 DBADRM CN(CC(=O)[O-])CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000833691798 604644975 /nfs/dbraw/zinc/64/49/75/604644975.db2.gz CLAJGJHJCHVZLW-UHFFFAOYSA-N -1 0 309.322 -0.817 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000831756572 604649653 /nfs/dbraw/zinc/64/96/53/604649653.db2.gz DBBOEXXECIAREQ-NSHDSACASA-N -1 0 318.293 -0.020 20 0 DBADRM CC(C)C(=O)NCCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000824043087 604651352 /nfs/dbraw/zinc/65/13/52/604651352.db2.gz GCUZJQLZKQFQDC-JTQLQIEISA-N -1 0 301.343 -0.356 20 0 DBADRM C[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C(=O)[O-] ZINC000833625848 604653580 /nfs/dbraw/zinc/65/35/80/604653580.db2.gz VERVQAUQSWMJST-HTRCEHHLSA-N -1 0 302.308 -0.280 20 0 DBADRM COc1coc(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1=O ZINC000829655102 604653939 /nfs/dbraw/zinc/65/39/39/604653939.db2.gz QGLMUKZYIXNKGM-APPZFPTMSA-N -1 0 313.262 -0.195 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCc2nnc3ccccn32)C1 ZINC000831704550 604660570 /nfs/dbraw/zinc/66/05/70/604660570.db2.gz PSCNQVDMYXJTQS-JTQLQIEISA-N -1 0 319.321 -0.233 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000833696965 604663143 /nfs/dbraw/zinc/66/31/43/604663143.db2.gz ZLAZEQMPCSKYBX-JTQLQIEISA-N -1 0 305.290 -0.059 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CCN2CCOCC2)CCO1 ZINC000825302922 604665493 /nfs/dbraw/zinc/66/54/93/604665493.db2.gz TZENGKODKMFXHW-NWDGAFQWSA-N -1 0 315.370 -0.408 20 0 DBADRM CNC(=O)C1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828532084 604667351 /nfs/dbraw/zinc/66/73/51/604667351.db2.gz NJPVSMHJNHTELL-LLVKDONJSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCO1 ZINC000825334007 604671848 /nfs/dbraw/zinc/67/18/48/604671848.db2.gz DPVPVYSZWBUHOB-MWLCHTKSSA-N -1 0 309.322 -0.118 20 0 DBADRM C[C@@]1(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCS(=O)(=O)C1 ZINC000825755421 604672704 /nfs/dbraw/zinc/67/27/04/604672704.db2.gz MVUOVTYJSBFOSL-JOYOIKCWSA-N -1 0 320.367 -0.551 20 0 DBADRM C[C@H](C(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1)S(C)(=O)=O ZINC000825295928 604675324 /nfs/dbraw/zinc/67/53/24/604675324.db2.gz YAYNNAPJIUAZLN-YIZRAAEISA-N -1 0 308.356 -0.697 20 0 DBADRM CCN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000826971470 604673735 /nfs/dbraw/zinc/67/37/35/604673735.db2.gz XPBCVDCCMYSZEC-UWVGGRQHSA-N -1 0 320.367 -0.599 20 0 DBADRM NC(=O)[C@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)c1ccccc1 ZINC000831167894 604674833 /nfs/dbraw/zinc/67/48/33/604674833.db2.gz SEOCVVNCDKZJCJ-GHMZBOCLSA-N -1 0 307.306 -0.292 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCc2nnc3n2CCCCC3)C1 ZINC000831730382 604674756 /nfs/dbraw/zinc/67/47/56/604674756.db2.gz FIVWDQYZOOFJLY-SNVBAGLBSA-N -1 0 323.353 -0.001 20 0 DBADRM COC(=O)NCCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828714191 604678727 /nfs/dbraw/zinc/67/87/27/604678727.db2.gz QAXXMRVMPYKZCK-RKDXNWHRSA-N -1 0 303.315 -0.384 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000825294542 604684636 /nfs/dbraw/zinc/68/46/36/604684636.db2.gz MBWUJPDHFDSESI-LPEHRKFASA-N -1 0 320.367 -0.695 20 0 DBADRM CN(C)C(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833687715 604689948 /nfs/dbraw/zinc/68/99/48/604689948.db2.gz QZPVCBTZMIWETR-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM C[C@@H](OC(=O)Cn1ccccc1=O)c1cn(CC(=O)[O-])nn1 ZINC000827838524 604690615 /nfs/dbraw/zinc/69/06/15/604690615.db2.gz HPSIDVBMRIFWDY-SECBINFHSA-N -1 0 306.278 -0.171 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CCO1 ZINC000825342863 604692300 /nfs/dbraw/zinc/69/23/00/604692300.db2.gz FEDBDXFCNXYRPV-YUMQZZPRSA-N -1 0 323.309 -0.927 20 0 DBADRM NC(=O)c1cccc(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831234076 604695861 /nfs/dbraw/zinc/69/58/61/604695861.db2.gz KTSLLBMICYHIRK-LLVKDONJSA-N -1 0 307.306 -0.220 20 0 DBADRM CCNC(=O)CCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827236673 604700770 /nfs/dbraw/zinc/70/07/70/604700770.db2.gz ISUDWUGIYLJLPN-VHSXEESVSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cn(CC(=O)[O-])nn1 ZINC000827817166 604701072 /nfs/dbraw/zinc/70/10/72/604701072.db2.gz JBZHVFBUNOKIEP-DTWKUNHWSA-N -1 0 322.321 -0.022 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCO1 ZINC000825326200 604708710 /nfs/dbraw/zinc/70/87/10/604708710.db2.gz NTVTWWVXGQVTHO-GUBZILKMSA-N -1 0 314.342 -0.587 20 0 DBADRM O=C(CNC(=O)[C@H]1CN(C(=O)[O-])CCO1)NCc1ccccc1 ZINC000831488414 604708926 /nfs/dbraw/zinc/70/89/26/604708926.db2.gz DWYNYJGRULVQHD-GFCCVEGCSA-N -1 0 321.333 -0.202 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000831688586 604711030 /nfs/dbraw/zinc/71/10/30/604711030.db2.gz DPACEMBYTUIDOG-NSHDSACASA-N -1 0 322.321 -0.694 20 0 DBADRM CN([C@@H]1CCNC1=O)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000833692388 604714499 /nfs/dbraw/zinc/71/44/99/604714499.db2.gz WDBHEAOCWJTRLM-MRVPVSSYSA-N -1 0 301.324 -0.768 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO1 ZINC000825015351 604725958 /nfs/dbraw/zinc/72/59/58/604725958.db2.gz DZPFXOGXSVKVQR-OPRDCNLKSA-N -1 0 322.383 -0.449 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825301109 604726036 /nfs/dbraw/zinc/72/60/36/604726036.db2.gz IFQCFKJXBPUBNX-UWVGGRQHSA-N -1 0 322.383 -0.307 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)C(=O)c2cnn(C)c2)CCO1 ZINC000825294349 604726089 /nfs/dbraw/zinc/72/60/89/604726089.db2.gz KWFGRDSGFXGDPA-PSASIEDQSA-N -1 0 310.310 -0.514 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828633931 604726991 /nfs/dbraw/zinc/72/69/91/604726991.db2.gz YBYOCUNFGAVPCR-VHSXEESVSA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CCCS(C)(=O)=O)CCO1 ZINC000825303916 604727455 /nfs/dbraw/zinc/72/74/55/604727455.db2.gz XPCVQHOAOXHICU-NXEZZACHSA-N -1 0 322.383 -0.305 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CS(=O)(=O)NC(C)(C)C ZINC000829955298 604729384 /nfs/dbraw/zinc/72/93/84/604729384.db2.gz NRNIFLXWIFVAFG-SECBINFHSA-N -1 0 324.399 -0.348 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)Cn2ccccc2=O)CCO1 ZINC000825310937 604729703 /nfs/dbraw/zinc/72/97/03/604729703.db2.gz QYGHMWAOUQNHSM-WDEREUQCSA-N -1 0 309.322 -0.268 20 0 DBADRM C[C@H](CN1CCCC1=O)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824900837 604730625 /nfs/dbraw/zinc/73/06/25/604730625.db2.gz DSECGYKUAROAJX-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(CC(=O)Nc1nc(CCC(=O)[O-])cs1)S(C)(=O)=O ZINC000830683922 604732434 /nfs/dbraw/zinc/73/24/34/604732434.db2.gz REHIVDYPIYFLCR-UHFFFAOYSA-N -1 0 321.380 -0.010 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000262118651 604735525 /nfs/dbraw/zinc/73/55/25/604735525.db2.gz KZDCUQBEMBBMKB-JTQLQIEISA-N -1 0 322.383 -0.592 20 0 DBADRM NC(=O)Cn1ccc(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)n1 ZINC000831199870 604740502 /nfs/dbraw/zinc/74/05/02/604740502.db2.gz LOGNHJVFEYFUGF-MRVPVSSYSA-N -1 0 311.298 -0.924 20 0 DBADRM Cc1cc(Cn2cnc3c(cnn3CC(=O)[O-])c2=O)nn1C ZINC000832886853 604745395 /nfs/dbraw/zinc/74/53/95/604745395.db2.gz OBZJVHDFCVIBNF-UHFFFAOYSA-N -1 0 302.294 -0.232 20 0 DBADRM COC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828630549 604745820 /nfs/dbraw/zinc/74/58/20/604745820.db2.gz IRZBMSAJSZJCKY-ZJUUUORDSA-N -1 0 300.311 -0.081 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000386713995 604746820 /nfs/dbraw/zinc/74/68/20/604746820.db2.gz XTCXQOQEJSLXII-UHFFFAOYSA-N -1 0 317.305 -0.286 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)NCCNc2cnccn2)C1 ZINC000831383456 604751611 /nfs/dbraw/zinc/75/16/11/604751611.db2.gz VEHMEAFNOAGFBM-SNVBAGLBSA-N -1 0 309.326 -0.226 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)C2(NC(=O)[O-])CC2)C[C@@H](C)O1 ZINC000825989251 604753530 /nfs/dbraw/zinc/75/35/30/604753530.db2.gz UPFHOIHEUXXUBA-RKDXNWHRSA-N -1 0 300.311 -0.034 20 0 DBADRM CC(=O)N[C@H](CC(=O)OCC(=O)NCC(=O)[O-])c1ccccc1 ZINC000833396034 604757137 /nfs/dbraw/zinc/75/71/37/604757137.db2.gz NHZHBBRLQKTNTB-GFCCVEGCSA-N -1 0 322.317 -0.002 20 0 DBADRM COc1cc(C(=O)NC2CN(C(=O)[O-])C2)ccc1OCC(N)=O ZINC000739854195 604758708 /nfs/dbraw/zinc/75/87/08/604758708.db2.gz WEFYPAQUUVZVGS-UHFFFAOYSA-N -1 0 323.305 -0.349 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(Cc2cnn(C)c2)CC1 ZINC000825999704 604758787 /nfs/dbraw/zinc/75/87/87/604758787.db2.gz HSGQEQRFMFGFCP-NSHDSACASA-N -1 0 309.370 -0.873 20 0 DBADRM CC(C)(C)NC(=O)NC(=O)COC(=O)C1(NC(=O)[O-])CC1 ZINC000823773884 604762590 /nfs/dbraw/zinc/76/25/90/604762590.db2.gz WQXGJTUUDCVKFA-UHFFFAOYSA-N -1 0 301.299 -0.046 20 0 DBADRM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC1CN(C(=O)[O-])C1 ZINC000740366502 604764246 /nfs/dbraw/zinc/76/42/46/604764246.db2.gz GEBHEUOFPBEQSA-UWVGGRQHSA-N -1 0 309.322 -0.360 20 0 DBADRM CN(C)C(=O)CCN1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000827954040 604764425 /nfs/dbraw/zinc/76/44/25/604764425.db2.gz PFQPVEMUJBVGIP-UHFFFAOYSA-N -1 0 300.359 -0.733 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CCS(C)(=O)=O)CCO1 ZINC000825301339 604772471 /nfs/dbraw/zinc/77/24/71/604772471.db2.gz IRIHHYDLYAEEAX-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)Nc2cccnc2-n2cncn2)C1 ZINC000831802233 604782095 /nfs/dbraw/zinc/78/20/95/604782095.db2.gz GQQFDTYWOIVXFL-SNVBAGLBSA-N -1 0 318.293 -0.020 20 0 DBADRM CCNC(=O)CNC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827243321 604782698 /nfs/dbraw/zinc/78/26/98/604782698.db2.gz XTJKVFDCIVQJBG-IUCAKERBSA-N -1 0 302.331 -0.811 20 0 DBADRM O=C(CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)NC1CCCC1 ZINC000831381479 604787894 /nfs/dbraw/zinc/78/78/94/604787894.db2.gz KPJSUHBEBALFMR-LLVKDONJSA-N -1 0 313.354 -0.070 20 0 DBADRM C[C@@H](OC(=O)CN(C)C(=O)C1CC1)c1cn(CC(=O)[O-])nn1 ZINC000833528884 604788759 /nfs/dbraw/zinc/78/87/59/604788759.db2.gz MBABYMNFPVKXGY-MRVPVSSYSA-N -1 0 310.310 -0.165 20 0 DBADRM CN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827954463 604806402 /nfs/dbraw/zinc/80/64/02/604806402.db2.gz TWYONDTWQUORAC-BDAKNGLRSA-N -1 0 317.367 -0.645 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCC(=O)Nc2cccnc2)C1 ZINC000831433814 604807070 /nfs/dbraw/zinc/80/70/70/604807070.db2.gz VLZZSGGDRRIMED-LLVKDONJSA-N -1 0 322.321 -0.095 20 0 DBADRM CNC(=O)C(C)(C)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000230387009 604808873 /nfs/dbraw/zinc/80/88/73/604808873.db2.gz QEVHTSIQMHVCBH-UHFFFAOYSA-N -1 0 318.355 -0.982 20 0 DBADRM CC(C)N1C[C@H](NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1=O ZINC000824357013 604810362 /nfs/dbraw/zinc/81/03/62/604810362.db2.gz LBWXESVXIAOIRR-GHMZBOCLSA-N -1 0 313.354 -0.119 20 0 DBADRM NC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831208004 604811061 /nfs/dbraw/zinc/81/10/61/604811061.db2.gz IHEBYOCEZLODNA-UWVGGRQHSA-N -1 0 314.342 -0.585 20 0 DBADRM CN(CC(=O)N1CC[C@@H](OCCN2CCOCC2)C1)C(=O)[O-] ZINC000828090847 604813282 /nfs/dbraw/zinc/81/32/82/604813282.db2.gz SBFGAUCEBSPPCD-GFCCVEGCSA-N -1 0 315.370 -0.454 20 0 DBADRM C[C@H](C(=O)NCCN(C)C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC000823693218 604813290 /nfs/dbraw/zinc/81/32/90/604813290.db2.gz KKSKWJQDGPWRBQ-SECBINFHSA-N -1 0 322.383 -0.305 20 0 DBADRM NC(=O)CC[C@H]1CCCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831183953 604816531 /nfs/dbraw/zinc/81/65/31/604816531.db2.gz CQYKTBVNVRPWNT-GHMZBOCLSA-N -1 0 313.354 -0.131 20 0 DBADRM NC(=O)CC[C@H]1CCCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831183955 604816661 /nfs/dbraw/zinc/81/66/61/604816661.db2.gz CQYKTBVNVRPWNT-MNOVXSKESA-N -1 0 313.354 -0.131 20 0 DBADRM COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828630225 604817734 /nfs/dbraw/zinc/81/77/34/604817734.db2.gz CFXCTNRAMMRHLS-ZJUUUORDSA-N -1 0 300.311 -0.223 20 0 DBADRM CCNC(=O)CN1CCN([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC000829790395 604823163 /nfs/dbraw/zinc/82/31/63/604823163.db2.gz SHPNZUJZWBVGNX-AWEZNQCLSA-N -1 0 306.366 -0.039 20 0 DBADRM CCS(=O)(=O)CCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000827471199 604823753 /nfs/dbraw/zinc/82/37/53/604823753.db2.gz HDOXNJLHLPLMDK-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM O=C([O-])c1ccc(C(=O)OCCN2CCCS2(=O)=O)nc1 ZINC000833312262 604836666 /nfs/dbraw/zinc/83/66/66/604836666.db2.gz SJCUCKRZCSOMIN-UHFFFAOYSA-N -1 0 314.319 -0.028 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000824809545 604836687 /nfs/dbraw/zinc/83/66/87/604836687.db2.gz HTHLMXRDZCCLEV-RKDXNWHRSA-N -1 0 307.372 -0.139 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000824809542 604836814 /nfs/dbraw/zinc/83/68/14/604836814.db2.gz HTHLMXRDZCCLEV-BDAKNGLRSA-N -1 0 307.372 -0.139 20 0 DBADRM C[C@H]([C@H](C)NC(=O)[C@H]1CN(C(=O)[O-])CCO1)N1CCOCC1 ZINC000825094982 604838892 /nfs/dbraw/zinc/83/88/92/604838892.db2.gz VFGQUNJIFQXDJE-QJPTWQEYSA-N -1 0 315.370 -0.409 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N[C@]2(C(=O)[O-])CCSC2)C1=O ZINC000043510884 604843485 /nfs/dbraw/zinc/84/34/85/604843485.db2.gz USHFWOODVQICTH-GFCCVEGCSA-N -1 0 315.351 -0.607 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)o1 ZINC000833762179 604844213 /nfs/dbraw/zinc/84/42/13/604844213.db2.gz MQCPBVTVVWNQAK-SNVBAGLBSA-N -1 0 320.348 -0.383 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000833501599 604848911 /nfs/dbraw/zinc/84/89/11/604848911.db2.gz DFOXTKTVPPLEKV-CYBMUJFWSA-N -1 0 317.411 -0.481 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCCOC[C@H]1CCOC1 ZINC000831380570 604854039 /nfs/dbraw/zinc/85/40/39/604854039.db2.gz FMFVHQRBBDPMHZ-RYUDHWBXSA-N -1 0 316.354 -0.075 20 0 DBADRM CCN1CCO[C@H](CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000827229189 604861399 /nfs/dbraw/zinc/86/13/99/604861399.db2.gz WRMGDGSDNCIDTI-NWDGAFQWSA-N -1 0 315.370 -0.408 20 0 DBADRM COC(=O)c1ccncc1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000831457627 604867661 /nfs/dbraw/zinc/86/76/61/604867661.db2.gz NRRRMOYWUWTLLI-SSDOTTSWSA-N -1 0 310.262 -0.386 20 0 DBADRM CC(=O)NCCNC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000823580460 604874789 /nfs/dbraw/zinc/87/47/89/604874789.db2.gz SPMGIWMPKJQBTK-PSASIEDQSA-N -1 0 316.358 -0.075 20 0 DBADRM CCNC(=O)CNC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000827242037 604875195 /nfs/dbraw/zinc/87/51/95/604875195.db2.gz HRCSWDHWYLOHGU-DTWKUNHWSA-N -1 0 316.358 -0.075 20 0 DBADRM C[C@](CO)(NC(=O)NCCN1CCN(C(=O)[O-])CC1)C1CC1 ZINC000824981687 604876142 /nfs/dbraw/zinc/87/61/42/604876142.db2.gz ZWFREXYSCXSLFL-CQSZACIVSA-N -1 0 314.386 -0.258 20 0 DBADRM C[C@@](CO)(NC(=O)NCCN1CCN(C(=O)[O-])CC1)C1CC1 ZINC000824981686 604876358 /nfs/dbraw/zinc/87/63/58/604876358.db2.gz ZWFREXYSCXSLFL-AWEZNQCLSA-N -1 0 314.386 -0.258 20 0 DBADRM CCc1nncn1CCNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827655823 604876552 /nfs/dbraw/zinc/87/65/52/604876552.db2.gz LNXXDBCHTZQSBH-SNVBAGLBSA-N -1 0 311.342 -0.274 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC2(C(=O)[O-])CCC2)C1=O ZINC000833564551 604879033 /nfs/dbraw/zinc/87/90/33/604879033.db2.gz SRMAPFUGXZDICF-ZDUSSCGKSA-N -1 0 309.322 -0.170 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCCS(=O)(=O)CC2)C1 ZINC000832061427 604879741 /nfs/dbraw/zinc/87/97/41/604879741.db2.gz YPBMYXMCMWPTDA-SNVBAGLBSA-N -1 0 320.367 -0.598 20 0 DBADRM CCOCCN1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827400218 604880514 /nfs/dbraw/zinc/88/05/14/604880514.db2.gz ZIAHZJDUEXULKL-GFCCVEGCSA-N -1 0 315.370 -0.454 20 0 DBADRM CNC(=O)CC1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828532346 604882550 /nfs/dbraw/zinc/88/25/50/604882550.db2.gz QVQOVAYYOOEXST-LLVKDONJSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1)S(C)(=O)=O ZINC000823906515 604887076 /nfs/dbraw/zinc/88/70/76/604887076.db2.gz FMZGCRDAUIYLEF-QMMMGPOBSA-N -1 0 308.356 -0.695 20 0 DBADRM CC(C)NC(=O)CCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833501487 604888966 /nfs/dbraw/zinc/88/89/66/604888966.db2.gz AHIYIGLAFDFTRI-LBPRGKRZSA-N -1 0 315.370 -0.232 20 0 DBADRM COc1ccc([C@H](O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000829310959 604895579 /nfs/dbraw/zinc/89/55/79/604895579.db2.gz KLTFQVBWGKUSNM-KGYLQXTDSA-N -1 0 324.333 -0.042 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCCO[C@@H]2CCOC2)C1 ZINC000831680047 604895607 /nfs/dbraw/zinc/89/56/07/604895607.db2.gz ATYAEUJGLBTKTO-GHMZBOCLSA-N -1 0 302.327 -0.323 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NC[C@H](O)COc1ccccc1 ZINC000831620257 604897778 /nfs/dbraw/zinc/89/77/78/604897778.db2.gz GJXVDYPRMKKYNF-GMXVVIOVSA-N -1 0 324.333 -0.344 20 0 DBADRM C[C@]1(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCCOC1 ZINC000235749909 604903101 /nfs/dbraw/zinc/90/31/01/604903101.db2.gz MCQQUKSRTDVQGP-NSHDSACASA-N -1 0 303.340 -0.185 20 0 DBADRM CC(=O)N[C@H](C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)C(C)C ZINC000833396227 604904064 /nfs/dbraw/zinc/90/40/64/604904064.db2.gz ZHLLPKIFDXGTNU-RYUDHWBXSA-N -1 0 300.355 -0.169 20 0 DBADRM CCN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)[C@H](C)CS(C)(=O)=O ZINC000826970373 604904179 /nfs/dbraw/zinc/90/41/79/604904179.db2.gz QKDYFJGUOBPIHP-NXEZZACHSA-N -1 0 322.383 -0.353 20 0 DBADRM CC(C)(C)OC(=O)NCCN1C(=O)N[C@H](CC(=O)[O-])C1=O ZINC000833441131 604904252 /nfs/dbraw/zinc/90/42/52/604904252.db2.gz FMQPQMZVRYMSIA-SSDOTTSWSA-N -1 0 301.299 -0.094 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(C)c2)C1 ZINC000827815563 604907328 /nfs/dbraw/zinc/90/73/28/604907328.db2.gz BMKRAKBMPXPVNY-SNVBAGLBSA-N -1 0 309.326 -0.041 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000831009435 604910009 /nfs/dbraw/zinc/91/00/09/604910009.db2.gz UHFKADWVCOPGQP-SECBINFHSA-N -1 0 309.326 -0.135 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)C(=O)Nc2cnn(C)c2)CC1 ZINC000827829447 604910280 /nfs/dbraw/zinc/91/02/80/604910280.db2.gz JUGYJZDHMDBDIP-UHFFFAOYSA-N -1 0 309.326 -0.041 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cn1 ZINC000833681550 604910658 /nfs/dbraw/zinc/91/06/58/604910658.db2.gz DTSBZJUSHWCXKY-NSHDSACASA-N -1 0 324.337 -0.474 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])cn1 ZINC000831009421 604914251 /nfs/dbraw/zinc/91/42/51/604914251.db2.gz TYXSESJIWPXFND-WPRPVWTQSA-N -1 0 309.326 -0.089 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCCN1C(=O)CCC1=O ZINC000831382853 604914811 /nfs/dbraw/zinc/91/48/11/604914811.db2.gz RHTDABLTJWFRKU-VIFPVBQESA-N -1 0 313.310 -0.980 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)[C@@H]2CSCN2C(=O)[O-])cn1 ZINC000830994231 604918885 /nfs/dbraw/zinc/91/88/85/604918885.db2.gz PSJVVZYSGZTHKO-DTWKUNHWSA-N -1 0 300.340 -0.377 20 0 DBADRM C[C@@H](C(=O)NC1CN(C(=O)[O-])C1)S(=O)(=O)C1CCOCC1 ZINC000823684533 604921581 /nfs/dbraw/zinc/92/15/81/604921581.db2.gz BTHTUCQPJTUTHR-QMMMGPOBSA-N -1 0 320.367 -0.553 20 0 DBADRM NC(=O)CCn1ccc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)n1 ZINC000831189999 604928066 /nfs/dbraw/zinc/92/80/66/604928066.db2.gz JUODLCAXIDYUQU-QMMMGPOBSA-N -1 0 311.298 -0.924 20 0 DBADRM O=C([O-])N1CC(OCC(=O)NC[C@]2(CCO)CCOC2)C1 ZINC000831528737 604934126 /nfs/dbraw/zinc/93/41/26/604934126.db2.gz AZJHLLZRVIAXFU-ZDUSSCGKSA-N -1 0 302.327 -0.730 20 0 DBADRM CC(C)N1C(=O)N[C@]2(CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)C1=O ZINC000833499845 604940894 /nfs/dbraw/zinc/94/08/94/604940894.db2.gz IHEOXVMJFHIBSD-NUPCCRGMSA-N -1 0 309.322 -0.362 20 0 DBADRM COC(=O)[C@@](C)(NC(=O)[C@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000828602651 604941005 /nfs/dbraw/zinc/94/10/05/604941005.db2.gz XFBZRJMCRLFVQX-RNCFNFMXSA-N -1 0 300.311 -0.177 20 0 DBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000825779463 604942902 /nfs/dbraw/zinc/94/29/02/604942902.db2.gz ZQTOWDGQUGYRFA-CGHNHLAMSA-N -1 0 304.368 -0.267 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@H](Cn3cncn3)C2)C1 ZINC000832051408 604945782 /nfs/dbraw/zinc/94/57/82/604945782.db2.gz WDKKMISMBSFLTC-RYUDHWBXSA-N -1 0 323.353 -0.105 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@@H](Cn3cncn3)C2)C1 ZINC000832051409 604946027 /nfs/dbraw/zinc/94/60/27/604946027.db2.gz WDKKMISMBSFLTC-VXGBXAGGSA-N -1 0 323.353 -0.105 20 0 DBADRM Cc1cc(C(=O)NC2CN(C(=O)[O-])C2)ccc1S(N)(=O)=O ZINC000740059002 604946815 /nfs/dbraw/zinc/94/68/15/604946815.db2.gz GNKNYZVMPWJDLF-UHFFFAOYSA-N -1 0 313.335 -0.266 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)NC1CN(C(=O)[O-])C1)n1cccn1 ZINC000738604375 604948627 /nfs/dbraw/zinc/94/86/27/604948627.db2.gz RDILFBPGEMAYJA-VIFPVBQESA-N -1 0 309.326 -0.619 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)OCC(=O)NC(=O)NCC(F)(F)F ZINC000833740099 604960990 /nfs/dbraw/zinc/96/09/90/604960990.db2.gz BSVZXQRTIOOFKH-BYPYZUCNSA-N -1 0 315.204 -0.426 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000833530794 604963168 /nfs/dbraw/zinc/96/31/68/604963168.db2.gz IXZQDISDNAREEB-XHNCKOQMSA-N -1 0 315.326 -0.702 20 0 DBADRM CC(C)(CCS(C)(=O)=O)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000823895204 604966051 /nfs/dbraw/zinc/96/60/51/604966051.db2.gz QSXLEFGCRSRDTP-VIFPVBQESA-N -1 0 322.383 -0.305 20 0 DBADRM COC(=O)[C@@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)c1ccccn1 ZINC000828606485 604966649 /nfs/dbraw/zinc/96/66/49/604966649.db2.gz BGLHSVDQFIYHIY-MNOVXSKESA-N -1 0 323.305 -0.209 20 0 DBADRM COCC[C@@](C)(O)CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828933653 604972109 /nfs/dbraw/zinc/97/21/09/604972109.db2.gz FPHABMLSPLEJQF-ZWNOBZJWSA-N -1 0 304.343 -0.341 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)NCC2(O)CCOCC2)C1 ZINC000831380051 604972950 /nfs/dbraw/zinc/97/29/50/604972950.db2.gz BXHBSGLXCBPXQF-JTQLQIEISA-N -1 0 302.327 -0.587 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000831050590 604976272 /nfs/dbraw/zinc/97/62/72/604976272.db2.gz NKPDJVDQZZADSE-LLVKDONJSA-N -1 0 322.321 -0.956 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)nc2)C[C@@H]1C(=O)[O-] ZINC000833625471 605009974 /nfs/dbraw/zinc/00/99/74/605009974.db2.gz YCNRPTQSLFCFQU-CBAPKCEASA-N -1 0 313.335 -0.478 20 0 DBADRM CN(C)C(=O)CNS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC000147353861 605013653 /nfs/dbraw/zinc/01/36/53/605013653.db2.gz GBEARVAEDOMCBG-UHFFFAOYSA-N -1 0 300.336 -0.108 20 0 DBADRM CC[C@@H](OC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C(=O)[O-] ZINC000833646074 605013933 /nfs/dbraw/zinc/01/39/33/605013933.db2.gz SDQSRTUPEAOHEK-ZCFIWIBFSA-N -1 0 324.293 -0.299 20 0 DBADRM CC[C@H](OC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C(=O)[O-] ZINC000833646073 605014158 /nfs/dbraw/zinc/01/41/58/605014158.db2.gz SDQSRTUPEAOHEK-LURJTMIESA-N -1 0 324.293 -0.299 20 0 DBADRM CN(C)C(=O)CNS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833688125 605014686 /nfs/dbraw/zinc/01/46/86/605014686.db2.gz LCJAGZJSWJGTGX-UHFFFAOYSA-N -1 0 304.299 -0.110 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(Cc2cccnc2)CC1 ZINC000833404437 605015040 /nfs/dbraw/zinc/01/50/40/605015040.db2.gz LJPAABYHGGANNR-GFCCVEGCSA-N -1 0 306.366 -0.212 20 0 DBADRM CCC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC000833649392 605023345 /nfs/dbraw/zinc/02/33/45/605023345.db2.gz PJBKIZPGHKFNDE-MRVPVSSYSA-N -1 0 301.324 -0.288 20 0 DBADRM CCC[C@H](NC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC000833649393 605023404 /nfs/dbraw/zinc/02/34/04/605023404.db2.gz PJBKIZPGHKFNDE-QMMMGPOBSA-N -1 0 301.324 -0.288 20 0 DBADRM CC(C)C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])N1CCCCC1=O ZINC000833474406 605025235 /nfs/dbraw/zinc/02/52/35/605025235.db2.gz QDHBALBOVBFWRF-QWRGUYRKSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)C[C@H](C(=O)NC[C@H](O)C(=O)[O-])N1CCCCC1=O ZINC000833474405 605025276 /nfs/dbraw/zinc/02/52/76/605025276.db2.gz QDHBALBOVBFWRF-MNOVXSKESA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000110662537 605025525 /nfs/dbraw/zinc/02/55/25/605025525.db2.gz IZDJKUWLPFXGGB-ZCFIWIBFSA-N -1 0 304.349 -0.045 20 0 DBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000821352927 605026290 /nfs/dbraw/zinc/02/62/90/605026290.db2.gz DJWPIBLQHORZDL-MRVPVSSYSA-N -1 0 323.280 -0.204 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000833677757 605029772 /nfs/dbraw/zinc/02/97/72/605029772.db2.gz BQQMZXURSMNDPH-CYBMUJFWSA-N -1 0 312.301 -0.054 20 0 DBADRM CN1CC[C@@H](NS(=O)(=O)c2ccsc2C(=O)[O-])C1=O ZINC000230225999 605030069 /nfs/dbraw/zinc/03/00/69/605030069.db2.gz VKUYYCPXQUADMC-ZCFIWIBFSA-N -1 0 304.349 -0.045 20 0 DBADRM C[C@@H](O)C1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000235323994 605032746 /nfs/dbraw/zinc/03/27/46/605032746.db2.gz GKSCJRMYGFOGTM-SECBINFHSA-N -1 0 317.367 -0.251 20 0 DBADRM C[C@H]1CCOCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000829458721 605062327 /nfs/dbraw/zinc/06/23/27/605062327.db2.gz UFOMSYTYVWFVAB-VIFPVBQESA-N -1 0 303.340 -0.233 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000831647756 605074335 /nfs/dbraw/zinc/07/43/35/605074335.db2.gz QABIPFPBBXIDHE-HTQZYQBOSA-N -1 0 308.381 -0.267 20 0 DBADRM COCCN(CC(=O)NC[C@@H]1CCCS1(=O)=O)C(=O)[O-] ZINC000828976571 605075480 /nfs/dbraw/zinc/07/54/80/605075480.db2.gz OMMOWHILWYHHIN-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000831647415 605075723 /nfs/dbraw/zinc/07/57/23/605075723.db2.gz MGAVBKZWKVXKOG-RKDXNWHRSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NC[C@@H]1CCCS1(=O)=O ZINC000831380875 605077514 /nfs/dbraw/zinc/07/75/14/605077514.db2.gz HPQGJTCYBQNUOB-UWVGGRQHSA-N -1 0 320.367 -0.551 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)O[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000827531218 605080572 /nfs/dbraw/zinc/08/05/72/605080572.db2.gz DKAIOUNDEBEAQZ-SVRRBLITSA-N -1 0 301.299 -0.048 20 0 DBADRM CC(C)NC(=O)CNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000166128276 605085951 /nfs/dbraw/zinc/08/59/51/605085951.db2.gz SRCPERREIOEAKS-UHFFFAOYSA-N -1 0 301.343 -0.308 20 0 DBADRM C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000833403608 605085931 /nfs/dbraw/zinc/08/59/31/605085931.db2.gz BDCBYYCDNZVXLI-QEYWKRMJSA-N -1 0 312.322 -0.888 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)NCCCN2CCOCC2)C1 ZINC000740588407 605090383 /nfs/dbraw/zinc/09/03/83/605090383.db2.gz OYCLWHHOKOFEHC-NSHDSACASA-N -1 0 300.359 -0.240 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC000833501588 605103444 /nfs/dbraw/zinc/10/34/44/605103444.db2.gz CWRKZBIMTPTQSZ-UHFFFAOYSA-N -1 0 322.365 -0.118 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@H](NC(=O)[O-])C1)S(C)(=O)=O ZINC000823917859 605106306 /nfs/dbraw/zinc/10/63/06/605106306.db2.gz MTPTWFRHGUJVAX-QMMMGPOBSA-N -1 0 307.372 -0.139 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CC[C@H](NC(=O)[O-])C2)O1 ZINC000831171808 605110633 /nfs/dbraw/zinc/11/06/33/605110633.db2.gz GAWRFTUPBUAFMI-CIUDSAMLSA-N -1 0 300.315 -0.929 20 0 DBADRM CC(C)Cn1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cn1 ZINC000833493660 605118746 /nfs/dbraw/zinc/11/87/46/605118746.db2.gz HMZGRODIKYEDFA-NSHDSACASA-N -1 0 308.338 -0.046 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000832372133 605138428 /nfs/dbraw/zinc/13/84/28/605138428.db2.gz VWLZDCXXNPMITH-BDAKNGLRSA-N -1 0 307.310 -0.369 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N1CC[C@H](NC(=O)[O-])C1)n1cccn1 ZINC000738605530 605140775 /nfs/dbraw/zinc/14/07/75/605140775.db2.gz WNUKLWHWFWWNNW-QWRGUYRKSA-N -1 0 323.353 -0.229 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCN2C(=O)CC[C@H]2C1)C(=O)[O-] ZINC000833478880 605147026 /nfs/dbraw/zinc/14/70/26/605147026.db2.gz VXVRUDYOLAYAKD-NWDGAFQWSA-N -1 0 311.382 -0.092 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000833699063 605148105 /nfs/dbraw/zinc/14/81/05/605148105.db2.gz DZIJDUXQTIBLEA-AXFHLTTASA-N -1 0 313.354 -0.214 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN2C(=O)CC[C@@H]2C1)C(=O)[O-] ZINC000833638848 605148293 /nfs/dbraw/zinc/14/82/93/605148293.db2.gz KOMPLHZZVMEUNV-WDMOLILDSA-N -1 0 311.382 -0.092 20 0 DBADRM Cc1c(CN(C)CC(=O)N2CCN(C(=O)[O-])CC2)cnn1C ZINC000829859351 605148528 /nfs/dbraw/zinc/14/85/28/605148528.db2.gz LZIKSPMXJKDKCT-UHFFFAOYSA-N -1 0 309.370 -0.017 20 0 DBADRM C[C@H](CC[S@@](C)=O)NC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000824810291 605158895 /nfs/dbraw/zinc/15/88/95/605158895.db2.gz PAXKZYAYMHPHLJ-LADRHHBVSA-N -1 0 319.427 -0.008 20 0 DBADRM CS[C@@H](CO)[C@@H](C)NC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000829710464 605160371 /nfs/dbraw/zinc/16/03/71/605160371.db2.gz NCBXSKKMNVYGHQ-KOLCDFICSA-N -1 0 319.427 -0.053 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)c1cnn(C)c1 ZINC000833620537 605160754 /nfs/dbraw/zinc/16/07/54/605160754.db2.gz LCFOOZRTYHCGBR-SNVBAGLBSA-N -1 0 308.338 -0.390 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000828541870 605169740 /nfs/dbraw/zinc/16/97/40/605169740.db2.gz HIXLUCPMALDLNT-LLVKDONJSA-N -1 0 312.370 -0.733 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2cncc(C(=O)[O-])c2)C1=O ZINC000833697606 605171956 /nfs/dbraw/zinc/17/19/56/605171956.db2.gz JDBSGGJSJALDLB-UHFFFAOYSA-N -1 0 306.234 -0.861 20 0 DBADRM Cc1ccc2nc(Cn3nnnc3CNC(=O)[O-])cc(=O)n2c1 ZINC000830460164 605175613 /nfs/dbraw/zinc/17/56/13/605175613.db2.gz PLWUKSHCKSNKQK-UHFFFAOYSA-N -1 0 315.293 -0.195 20 0 DBADRM O=C([O-])NCc1nnnn1Cc1nnnn1Cc1ccccc1 ZINC000832744788 605176670 /nfs/dbraw/zinc/17/66/70/605176670.db2.gz ODWOKVFDNKBWRF-UHFFFAOYSA-N -1 0 315.297 -0.476 20 0 DBADRM CC(C)(C(=O)O[C@H]1CCCNC1=O)N1CCN(C(=O)[O-])CC1 ZINC000823743841 605193308 /nfs/dbraw/zinc/19/33/08/605193308.db2.gz PZKJNAINONYNFG-JTQLQIEISA-N -1 0 313.354 -0.118 20 0 DBADRM CC(C)[C@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)NC(N)=O ZINC000824149549 605198550 /nfs/dbraw/zinc/19/85/50/605198550.db2.gz HKFUXUWRGXHNGB-SFYZADRCSA-N -1 0 317.298 -0.872 20 0 DBADRM COCCN(CC(=O)OC)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833723415 605204638 /nfs/dbraw/zinc/20/46/38/605204638.db2.gz CRHNHNKFGDIFOM-UHFFFAOYSA-N -1 0 321.307 -0.212 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)CCO1 ZINC000829901623 605206845 /nfs/dbraw/zinc/20/68/45/605206845.db2.gz YNXGQYFIOYUGHC-LLVKDONJSA-N -1 0 310.347 -0.159 20 0 DBADRM O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NC[C@@H]1CCCO1 ZINC000831499120 605206935 /nfs/dbraw/zinc/20/69/35/605206935.db2.gz PWFLYYWLVHUPIY-UWVGGRQHSA-N -1 0 316.310 -0.796 20 0 DBADRM CC(C)(O)C(C)(C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000229024062 605207966 /nfs/dbraw/zinc/20/79/66/605207966.db2.gz SWHMNSBOOAAPMC-UHFFFAOYSA-N -1 0 305.356 -0.205 20 0 DBADRM COCCCNC(=O)[C@H](C)OC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828950546 605210622 /nfs/dbraw/zinc/21/06/22/605210622.db2.gz LXQQNCSFHLBCBY-VHSXEESVSA-N -1 0 318.326 -0.550 20 0 DBADRM O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)NCC1CCC1 ZINC000831497528 605212960 /nfs/dbraw/zinc/21/29/60/605212960.db2.gz DYOZTQPXIIFAJQ-SNVBAGLBSA-N -1 0 300.311 -0.175 20 0 DBADRM NC(=O)C1(NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)CCOCC1 ZINC000831166590 605220726 /nfs/dbraw/zinc/22/07/26/605220726.db2.gz DQQWUAJYSXLAPW-NXEZZACHSA-N -1 0 313.354 -0.037 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CSCN1C(=O)[O-])[C@@H]1CN(C)CCO1 ZINC000825459092 605221810 /nfs/dbraw/zinc/22/18/10/605221810.db2.gz MHJPKLIZNKKIEO-BBBLOLIVSA-N -1 0 303.384 -0.125 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828551522 605222907 /nfs/dbraw/zinc/22/29/07/605222907.db2.gz BKXQIZIZZGEWQP-JGVFFNPUSA-N -1 0 317.298 -0.857 20 0 DBADRM CN(CCCC(=O)NC[C@H](O)CN1CCOCC1)C(=O)[O-] ZINC000828279133 605224177 /nfs/dbraw/zinc/22/41/77/605224177.db2.gz UDHUEFKWLUGVMQ-NSHDSACASA-N -1 0 303.359 -0.814 20 0 DBADRM C[C@@H](COC(=O)C[C@H]1CN(C(=O)[O-])CCO1)CS(C)(=O)=O ZINC000824987584 605225988 /nfs/dbraw/zinc/22/59/88/605225988.db2.gz OMRCMQALVDEODK-UWVGGRQHSA-N -1 0 323.367 -0.021 20 0 DBADRM COC(=O)N1CC(NC(=O)NC[C@H]2CCCN2C(=O)[O-])C1 ZINC000828705724 605229600 /nfs/dbraw/zinc/22/96/00/605229600.db2.gz ZPRZEIZELXLQBX-SECBINFHSA-N -1 0 300.315 -0.121 20 0 DBADRM CCS(=O)(=O)NCC(=O)NCC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827476076 605230866 /nfs/dbraw/zinc/23/08/66/605230866.db2.gz SQZZGCRMULLDBU-JTQLQIEISA-N -1 0 321.399 -0.178 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)C1 ZINC000828705202 605231906 /nfs/dbraw/zinc/23/19/06/605231906.db2.gz UIRUQRITMOZWQA-SECBINFHSA-N -1 0 300.315 -0.169 20 0 DBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NCCN1CCOCC1 ZINC000831513256 605241380 /nfs/dbraw/zinc/24/13/80/605241380.db2.gz OJYUJPBUKGIURO-GFCCVEGCSA-N -1 0 315.370 -0.406 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827236861 605242266 /nfs/dbraw/zinc/24/22/66/605242266.db2.gz KXWCYRAVAYDZBY-NXEZZACHSA-N -1 0 301.343 -0.214 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000823759194 605251051 /nfs/dbraw/zinc/25/10/51/605251051.db2.gz GLMALIJEXSMNRH-RKDXNWHRSA-N -1 0 321.399 -0.181 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000833689720 605257175 /nfs/dbraw/zinc/25/71/75/605257175.db2.gz RNJVRUSOJBFISQ-UHFFFAOYSA-N -1 0 301.324 0.000 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NC[C@@H](CO)Cc2ccco2)C1 ZINC000831615798 605259007 /nfs/dbraw/zinc/25/90/07/605259007.db2.gz FOGHUVNCWKMVNW-JQWIXIFHSA-N -1 0 312.322 -0.074 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(C(=O)[O-])CC1 ZINC000823759829 605262506 /nfs/dbraw/zinc/26/25/06/605262506.db2.gz LVQYVPDEJKHMHV-VIFPVBQESA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@@H](OC(=O)CSc1nncs1)C(=O)NCC(=O)[O-] ZINC000833533477 605276310 /nfs/dbraw/zinc/27/63/10/605276310.db2.gz XIHSREZLDKITCV-RXMQYKEDSA-N -1 0 305.337 -0.237 20 0 DBADRM CN(CCNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC000828316917 605286776 /nfs/dbraw/zinc/28/67/76/605286776.db2.gz YDXYOLXHOSKUAJ-QMMMGPOBSA-N -1 0 309.388 -0.324 20 0 DBADRM C[C@H](NC(=O)COC1CN(C(=O)[O-])C1)[C@@H]1CN(C)CCO1 ZINC000825128919 605296350 /nfs/dbraw/zinc/29/63/50/605296350.db2.gz YFFXLUXBEBQESJ-ONGXEEELSA-N -1 0 301.343 -0.800 20 0 DBADRM CC(C)OC[C@H](O)CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O ZINC000824393412 605297340 /nfs/dbraw/zinc/29/73/40/605297340.db2.gz IVSZIAPGSKBQFK-NOZJJQNGSA-N -1 0 315.326 -0.553 20 0 DBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)CCC(=O)[O-])C1=O ZINC000833760016 605302151 /nfs/dbraw/zinc/30/21/51/605302151.db2.gz KITFWVVNEFTUCW-JTQLQIEISA-N -1 0 308.338 -0.108 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825016208 605308283 /nfs/dbraw/zinc/30/82/83/605308283.db2.gz NQCXJDNQWDBMKU-VHSXEESVSA-N -1 0 322.383 -0.305 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)CCOC1CN(C(=O)[O-])C1 ZINC000833838011 605308404 /nfs/dbraw/zinc/30/84/04/605308404.db2.gz LJZIGFIDBJHOGX-VIFPVBQESA-N -1 0 320.367 -0.599 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000833894499 605309238 /nfs/dbraw/zinc/30/92/38/605309238.db2.gz ARBNVBMPHDLQHP-SCZZXKLOSA-N -1 0 300.311 -0.177 20 0 DBADRM O=C([O-])NCCC(=O)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000834228777 605310205 /nfs/dbraw/zinc/31/02/05/605310205.db2.gz OXXDYEMCXMPZHW-SNVBAGLBSA-N -1 0 300.311 -0.175 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)C=C1CN(C(=O)[O-])C1 ZINC000833879528 605311097 /nfs/dbraw/zinc/31/10/97/605311097.db2.gz PQRFRLZGUUFYHR-UHFFFAOYSA-N -1 0 300.267 -0.871 20 0 DBADRM CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000833865994 605311605 /nfs/dbraw/zinc/31/16/05/605311605.db2.gz HASFXORGDYJGEP-UTLUCORTSA-N -1 0 323.353 -0.095 20 0 DBADRM CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000833865990 605311684 /nfs/dbraw/zinc/31/16/84/605311684.db2.gz HASFXORGDYJGEP-KXUCPTDWSA-N -1 0 323.353 -0.095 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000834134956 605317943 /nfs/dbraw/zinc/31/79/43/605317943.db2.gz VPFLRZAHNKFWSQ-NTSWFWBYSA-N -1 0 320.252 -0.960 20 0 DBADRM COC(=O)C1=C(C)O[C@@H](CN2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC000833703397 605318246 /nfs/dbraw/zinc/31/82/46/605318246.db2.gz IZSMKEOPCQKEFJ-KOLCDFICSA-N -1 0 312.322 -0.503 20 0 DBADRM COC(=O)C1=C(C)O[C@@H](CN2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC000833703399 605318613 /nfs/dbraw/zinc/31/86/13/605318613.db2.gz IZSMKEOPCQKEFJ-MWLCHTKSSA-N -1 0 312.322 -0.503 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000834134968 605319061 /nfs/dbraw/zinc/31/90/61/605319061.db2.gz VPFLRZAHNKFWSQ-WDSKDSINSA-N -1 0 320.252 -0.960 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)OCCN1C(=O)CNC1=O ZINC000834137281 605319149 /nfs/dbraw/zinc/31/91/49/605319149.db2.gz JMAQJSJVZNMHBL-RXMQYKEDSA-N -1 0 309.225 -0.627 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@@H]2c2ncc[nH]2)C(=O)C1 ZINC000834113950 605321707 /nfs/dbraw/zinc/32/17/07/605321707.db2.gz ZWKDLSSARUDSMJ-SNVBAGLBSA-N -1 0 321.337 -0.105 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)OCCN1C(=O)CCC1=O ZINC000834137238 605321837 /nfs/dbraw/zinc/32/18/37/605321837.db2.gz JCYXTAYPAUEAJY-LURJTMIESA-N -1 0 308.237 -0.030 20 0 DBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)O[C@H]1CCCNC1=O ZINC000831525372 605328477 /nfs/dbraw/zinc/32/84/77/605328477.db2.gz YUTMTYROBGZKGF-ZJUUUORDSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)O[C@@H]1CCCNC1=O ZINC000831525368 605328701 /nfs/dbraw/zinc/32/87/01/605328701.db2.gz YUTMTYROBGZKGF-NXEZZACHSA-N -1 0 300.311 -0.033 20 0 DBADRM Cn1c(CNC(=O)CNC(=O)CNC(=O)[O-])nc2ccccc21 ZINC000833942199 605332693 /nfs/dbraw/zinc/33/26/93/605332693.db2.gz XATGTNNDJPGQJP-UHFFFAOYSA-N -1 0 319.321 -0.427 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cnc2c(c1)COCC2 ZINC000833984483 605334579 /nfs/dbraw/zinc/33/45/79/605334579.db2.gz QOIOKUDUIQFTCW-SNVBAGLBSA-N -1 0 308.294 -0.396 20 0 DBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)OCC(=O)N1CCC1 ZINC000831523128 605335278 /nfs/dbraw/zinc/33/52/78/605335278.db2.gz GXWABGZEXRNHRM-SNVBAGLBSA-N -1 0 300.311 -0.079 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCc1cn2ccccc2n1 ZINC000834196916 605338699 /nfs/dbraw/zinc/33/86/99/605338699.db2.gz RGTUPWWVDONNDJ-UHFFFAOYSA-N -1 0 319.321 -0.623 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000834199305 605339265 /nfs/dbraw/zinc/33/92/65/605339265.db2.gz YCCFAKFLWYDGEV-UHFFFAOYSA-N -1 0 318.293 -0.410 20 0 DBADRM Cn1c(Cl)cnc1CNC(=O)CNC(=O)CNC(=O)[O-] ZINC000833942631 605340086 /nfs/dbraw/zinc/34/00/86/605340086.db2.gz ZCVHGCLBFOWVHA-UHFFFAOYSA-N -1 0 303.706 -0.927 20 0 DBADRM O=C(COC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)NC1CC1 ZINC000831508147 605340146 /nfs/dbraw/zinc/34/01/46/605340146.db2.gz XEEXROKJKKVNCG-JTQLQIEISA-N -1 0 300.311 -0.033 20 0 DBADRM Cc1noc(CCCN2C(=O)N[C@@]3(CCN(C(=O)[O-])C3)C2=O)n1 ZINC000830920426 605342524 /nfs/dbraw/zinc/34/25/24/605342524.db2.gz LEZYOCRJZNZPGZ-CYBMUJFWSA-N -1 0 323.309 -0.015 20 0 DBADRM Cc1noc(CCCN2C(=O)N[C@]3(CCN(C(=O)[O-])C3)C2=O)n1 ZINC000830920427 605342648 /nfs/dbraw/zinc/34/26/48/605342648.db2.gz LEZYOCRJZNZPGZ-ZDUSSCGKSA-N -1 0 323.309 -0.015 20 0 DBADRM Cc1nccn1C[C@H](C)CNC(=O)CNC(=O)CNC(=O)[O-] ZINC000833916730 605343667 /nfs/dbraw/zinc/34/36/67/605343667.db2.gz AIEHPNVDJWPJAZ-SECBINFHSA-N -1 0 311.342 -0.672 20 0 DBADRM CCCCNC(=O)CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O ZINC000826836775 605343947 /nfs/dbraw/zinc/34/39/47/605343947.db2.gz QIOZGBYXOOQTED-ZDUSSCGKSA-N -1 0 312.326 -0.423 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCN(c2ccccc2)C1 ZINC000834196802 605347076 /nfs/dbraw/zinc/34/70/76/605347076.db2.gz NRWOBRGKBGXCLS-NSHDSACASA-N -1 0 320.349 -0.235 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(n2ccnc2)CC1 ZINC000834195564 605347138 /nfs/dbraw/zinc/34/71/38/605347138.db2.gz VIDYNOLGQURPLB-UHFFFAOYSA-N -1 0 309.326 -0.570 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000834195149 605348707 /nfs/dbraw/zinc/34/87/07/605348707.db2.gz RQCQDLQSKAQOMX-JTQLQIEISA-N -1 0 309.326 -0.153 20 0 DBADRM Cn1cc(C[C@@H]2CCN(C(=O)CNC(=O)CNC(=O)[O-])C2)cn1 ZINC000833947195 605350682 /nfs/dbraw/zinc/35/06/82/605350682.db2.gz LYWUQBXBEMKTFT-JTQLQIEISA-N -1 0 323.353 -0.805 20 0 DBADRM Cn1ccnc1[C@H]1CCN(C(=O)CNC(=O)CNC(=O)[O-])C1 ZINC000833955352 605351520 /nfs/dbraw/zinc/35/15/20/605351520.db2.gz RHLBJUDSMAJMGY-VIFPVBQESA-N -1 0 309.326 -0.880 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000834195259 605352448 /nfs/dbraw/zinc/35/24/48/605352448.db2.gz BPXYKFSCDIEHGV-GGZOMVNGSA-N -1 0 311.338 -0.556 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCc1ccc(Cl)nc1 ZINC000834195685 605352844 /nfs/dbraw/zinc/35/28/44/605352844.db2.gz DALLVAWKNKNMHE-UHFFFAOYSA-N -1 0 314.729 -0.223 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000834192049 605352852 /nfs/dbraw/zinc/35/28/52/605352852.db2.gz AQYLDYANQWCDLI-SNVBAGLBSA-N -1 0 322.321 -0.555 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NC[C@@H](O)C2CCOCC2)C1 ZINC000831622501 605353735 /nfs/dbraw/zinc/35/37/35/605353735.db2.gz VYNVCITZTHWTMW-MNOVXSKESA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)NC[C@H](O)CO)cc2C1 ZINC000834194097 605361945 /nfs/dbraw/zinc/36/19/45/605361945.db2.gz FDCJQWCVIPXINA-KOLCDFICSA-N -1 0 324.337 -0.319 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825778724 605362129 /nfs/dbraw/zinc/36/21/29/605362129.db2.gz RYOHBNFDIHYYTC-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825778727 605362440 /nfs/dbraw/zinc/36/24/40/605362440.db2.gz RYOHBNFDIHYYTC-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000825509055 605364377 /nfs/dbraw/zinc/36/43/77/605364377.db2.gz MDUTWOYNEMUSDP-XHNCKOQMSA-N -1 0 307.372 -0.429 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000834195745 605364603 /nfs/dbraw/zinc/36/46/03/605364603.db2.gz FIGFEJUYFRMWCY-JTQLQIEISA-N -1 0 322.321 -0.335 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)NC2CCN(C(=O)[O-])CC2)cn1 ZINC000833946265 605368317 /nfs/dbraw/zinc/36/83/17/605368317.db2.gz LGNCIHDODJYCEL-LLVKDONJSA-N -1 0 311.342 -0.105 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(-n2nccn2)cc1 ZINC000834199133 605369043 /nfs/dbraw/zinc/36/90/43/605369043.db2.gz UVZPHRVNHWKKGV-UHFFFAOYSA-N -1 0 318.293 -0.410 20 0 DBADRM O=C([O-])NCCC(=O)N1CCN(CCn2ccccc2=O)CC1 ZINC000834225164 605369637 /nfs/dbraw/zinc/36/96/37/605369637.db2.gz HXIUKFSINHZQPF-UHFFFAOYSA-N -1 0 322.365 -0.350 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@@H]1C(F)(F)F ZINC000834193417 605371890 /nfs/dbraw/zinc/37/18/90/605371890.db2.gz GCGNKWSCEVXCRW-ZCFIWIBFSA-N -1 0 313.232 -0.840 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)N2CCC(OCCO)CC2)C1 ZINC000834086981 605372713 /nfs/dbraw/zinc/37/27/13/605372713.db2.gz XDWXWERSQFOBGO-JTQLQIEISA-N -1 0 301.343 -0.078 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)NC[C@@H]2CCCN2C(=O)[O-])cn1 ZINC000833946264 605372940 /nfs/dbraw/zinc/37/29/40/605372940.db2.gz LDQYNRZJJIQMQF-WDEREUQCSA-N -1 0 311.342 -0.105 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000834195019 605374941 /nfs/dbraw/zinc/37/49/41/605374941.db2.gz QWDIVXSDQTXXQM-IINYFYTJSA-N -1 0 313.354 -0.476 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000834195015 605375163 /nfs/dbraw/zinc/37/51/63/605375163.db2.gz QWDIVXSDQTXXQM-HZMBPMFUSA-N -1 0 313.354 -0.476 20 0 DBADRM Cc1noc2ncc(NC(=O)CNC(=O)CNC(=O)[O-])cc12 ZINC000833933719 605377288 /nfs/dbraw/zinc/37/72/88/605377288.db2.gz MKRBQTMXJPODCP-UHFFFAOYSA-N -1 0 307.266 -0.146 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000834194061 605378282 /nfs/dbraw/zinc/37/82/82/605378282.db2.gz JXHOHKOYSPZQSC-VIFPVBQESA-N -1 0 309.326 -0.501 20 0 DBADRM Cc1cccn2cc(CNC(=O)CNC(=O)CNC(=O)[O-])nc12 ZINC000833910679 605379474 /nfs/dbraw/zinc/37/94/74/605379474.db2.gz MRKTXNCSAHAAAZ-UHFFFAOYSA-N -1 0 319.321 -0.357 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000828525974 605382122 /nfs/dbraw/zinc/38/21/22/605382122.db2.gz DMWCNTNHIXOCGZ-QWRGUYRKSA-N -1 0 315.370 -0.014 20 0 DBADRM O=C(C[C@@H]1NC(=O)NC1=O)NCC[C@H]1CCCN(C(=O)[O-])C1 ZINC000834013201 605382804 /nfs/dbraw/zinc/38/28/04/605382804.db2.gz UVPSHTODVFMCMU-BDAKNGLRSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OC[C@@H]1Cc2ccccc2O1 ZINC000834199428 605384719 /nfs/dbraw/zinc/38/47/19/605384719.db2.gz VQSJGLRBCDCIJU-JTQLQIEISA-N -1 0 308.290 -0.083 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@H](O)C1CCCCC1 ZINC000834196583 605388712 /nfs/dbraw/zinc/38/87/12/605388712.db2.gz LHKZKMRZZPQCCB-SNVBAGLBSA-N -1 0 301.343 -0.572 20 0 DBADRM O=C([O-])N1CCC(S(=O)(=O)N[C@H]2CCCCNC2=O)CC1 ZINC000738720053 605389708 /nfs/dbraw/zinc/38/97/08/605389708.db2.gz GEMIPQTYQKQVPA-JTQLQIEISA-N -1 0 319.383 -0.283 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000834195960 605392157 /nfs/dbraw/zinc/39/21/57/605392157.db2.gz GMAMQMBJRGZIMI-QWRGUYRKSA-N -1 0 315.370 -0.182 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H](CO)Cc1ccccc1 ZINC000834197521 605393639 /nfs/dbraw/zinc/39/36/39/605393639.db2.gz UYXXEMCWTLRYGQ-LLVKDONJSA-N -1 0 309.322 -0.910 20 0 DBADRM O=C([O-])N1CC[C@@H](CNC(=O)NCc2nnnn2C2CC2)C1 ZINC000834049326 605396652 /nfs/dbraw/zinc/39/66/52/605396652.db2.gz OMCMNRNEPFCKDD-QMMMGPOBSA-N -1 0 309.330 -0.193 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cc(-c2cccnc2)[nH]n1 ZINC000834199336 605399945 /nfs/dbraw/zinc/39/99/45/605399945.db2.gz YYKZKOYKPFHADQ-UHFFFAOYSA-N -1 0 318.293 -0.206 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NC[C@H](O)COCC1CC1 ZINC000831619715 605403251 /nfs/dbraw/zinc/40/32/51/605403251.db2.gz BJHMVJPSGSEOLE-VHSXEESVSA-N -1 0 304.368 -0.057 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000833795784 605406339 /nfs/dbraw/zinc/40/63/39/605406339.db2.gz WDTAQCMDSDSREH-NEPJUHHUSA-N -1 0 317.386 -0.522 20 0 DBADRM O=C([O-])N1CCCC[C@@H]1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000831620660 605406493 /nfs/dbraw/zinc/40/64/93/605406493.db2.gz HXOXSYITLMMYCJ-VXGBXAGGSA-N -1 0 315.370 -0.672 20 0 DBADRM O=C([O-])NC1(CC(=O)NC[C@H](O)CN2CCOCC2)CCC1 ZINC000834156022 605408524 /nfs/dbraw/zinc/40/85/24/605408524.db2.gz UDSHHVGISINKNG-NSHDSACASA-N -1 0 315.370 -0.624 20 0 DBADRM CNC(=O)c1cccc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])c1C ZINC000833876642 605411388 /nfs/dbraw/zinc/41/13/88/605411388.db2.gz IEYTWHPMRDCBAS-SNVBAGLBSA-N -1 0 322.321 -0.195 20 0 DBADRM COCCN(CCNC(=O)NCc1noc(C)n1)C(=O)[O-] ZINC000833886010 605413954 /nfs/dbraw/zinc/41/39/54/605413954.db2.gz NTGFVMVBDMVSTD-UHFFFAOYSA-N -1 0 301.303 -0.196 20 0 DBADRM Cn1cnn(CC(=O)NC[C@@]2(C)CCCN(C(=O)[O-])C2)c1=O ZINC000833956640 605415753 /nfs/dbraw/zinc/41/57/53/605415753.db2.gz MLPBREAKICJWAX-CYBMUJFWSA-N -1 0 311.342 -0.522 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000833983939 605417037 /nfs/dbraw/zinc/41/70/37/605417037.db2.gz LQIGXKQQMNLPSF-MRVPVSSYSA-N -1 0 319.281 -0.888 20 0 DBADRM CCOC(=O)[C@@H](C)[C@@H](C)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000833658215 605424667 /nfs/dbraw/zinc/42/46/67/605424667.db2.gz ZHKPPWBNPFWZRO-DTWKUNHWSA-N -1 0 310.372 -0.185 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)[C@@H](CC(F)F)NC(=O)[O-])cn1 ZINC000833944603 605436445 /nfs/dbraw/zinc/43/64/45/605436445.db2.gz CGFGZWQYLFJUBO-SFYZADRCSA-N -1 0 306.269 -0.139 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)[C@H](CC(F)F)NC(=O)[O-])cn1 ZINC000833944602 605436871 /nfs/dbraw/zinc/43/68/71/605436871.db2.gz CGFGZWQYLFJUBO-JGVFFNPUSA-N -1 0 306.269 -0.139 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC000832689943 605443582 /nfs/dbraw/zinc/44/35/82/605443582.db2.gz CMXBEZGRAMWYNC-JTQLQIEISA-N -1 0 305.290 -0.011 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCOC2(CCOCC2)C1 ZINC000832662497 605444092 /nfs/dbraw/zinc/44/40/92/605444092.db2.gz KWIUVMXHFFKPNF-UHFFFAOYSA-N -1 0 302.327 -0.321 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N[C@H]1CCC(=O)NC1=O ZINC000826108346 605445711 /nfs/dbraw/zinc/44/57/11/605445711.db2.gz GADGCVNVSBCGLA-ZKWXMUAHSA-N -1 0 313.310 -0.589 20 0 DBADRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NC1=O ZINC000832139876 605446824 /nfs/dbraw/zinc/44/68/24/605446824.db2.gz DBTAWKGUAMCCQK-QWRGUYRKSA-N -1 0 319.317 -0.213 20 0 DBADRM O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCO[C@H](CO)C1 ZINC000831402639 605447260 /nfs/dbraw/zinc/44/72/60/605447260.db2.gz NMSQCYLFHYWDSP-UWVGGRQHSA-N -1 0 304.368 -0.308 20 0 DBADRM COC1(C(=O)N[C@H]2CCC(=O)NC2=O)CCN(C(=O)[O-])CC1 ZINC000828856244 605447271 /nfs/dbraw/zinc/44/72/71/605447271.db2.gz MIXDCKVVYGNNAB-QMMMGPOBSA-N -1 0 313.310 -0.933 20 0 DBADRM Cn1cnnc1[C@H]1CCCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000833955779 605447790 /nfs/dbraw/zinc/44/77/90/605447790.db2.gz FZFNKBVDTYOUGE-NXEZZACHSA-N -1 0 309.326 -0.143 20 0 DBADRM O=C([O-])N[C@H](C(=O)N[C@H]1CCC(=O)NC1=O)c1ccccc1 ZINC000832790423 605447858 /nfs/dbraw/zinc/44/78/58/605447858.db2.gz WGDYKHNKJRZWHJ-ONGXEEELSA-N -1 0 305.290 -0.083 20 0 DBADRM O=C([O-])NC[C@@H](C(=O)N[C@H]1CCC(=O)NC1=O)c1ccccc1 ZINC000832404069 605448122 /nfs/dbraw/zinc/44/81/22/605448122.db2.gz XQVFHAZHUQZZBC-MNOVXSKESA-N -1 0 319.317 -0.041 20 0 DBADRM Cn1ncc(NC(=O)C(=O)NCCNC(=O)[O-])c1C(F)F ZINC000833962366 605452376 /nfs/dbraw/zinc/45/23/76/605452376.db2.gz RSHAXJUSEYLOHB-UHFFFAOYSA-N -1 0 305.241 -0.320 20 0 DBADRM COCCN(CCNC(=O)N[C@H]1CCCNC1=O)C(=O)[O-] ZINC000833885672 605453337 /nfs/dbraw/zinc/45/33/37/605453337.db2.gz JIXDEIFJCIQALV-VIFPVBQESA-N -1 0 302.331 -0.809 20 0 DBADRM CNC(=O)Cc1noc(C[C@@H]2CSCCN2C(=O)[O-])n1 ZINC000828547867 605458369 /nfs/dbraw/zinc/45/83/69/605458369.db2.gz ZANLCNXQIJZSIP-SSDOTTSWSA-N -1 0 300.340 -0.004 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CC[C@@H](NC(=O)[O-])C[C@@H]2C)nn1 ZINC000825528264 605459038 /nfs/dbraw/zinc/45/90/38/605459038.db2.gz LKPUVOQEKJPGKC-LPEHRKFASA-N -1 0 311.342 -0.022 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000825507073 605464554 /nfs/dbraw/zinc/46/45/54/605464554.db2.gz AYHXRKGUFARSPR-WCBMZHEXSA-N -1 0 319.383 -0.333 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000825507062 605464944 /nfs/dbraw/zinc/46/49/44/605464944.db2.gz AYHXRKGUFARSPR-PSASIEDQSA-N -1 0 319.383 -0.333 20 0 DBADRM CC(C)(C)OC(=O)CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000833434803 605469008 /nfs/dbraw/zinc/46/90/08/605469008.db2.gz OUJXKQYCXMDUPI-UHFFFAOYSA-N -1 0 307.368 -0.050 20 0 DBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)NC[C@H](O)C(=O)[O-] ZINC000833544327 605470054 /nfs/dbraw/zinc/47/00/54/605470054.db2.gz FLKSXZRJFYVJQN-VDTYLAMSSA-N -1 0 301.328 -0.950 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000833860426 605479151 /nfs/dbraw/zinc/47/91/51/605479151.db2.gz VWGWMGTYJYFYAT-SCZZXKLOSA-N -1 0 316.358 -0.964 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000833983014 605479432 /nfs/dbraw/zinc/47/94/32/605479432.db2.gz DZYRDRXCWQFQGT-SECBINFHSA-N -1 0 318.293 -0.283 20 0 DBADRM CCOCCC1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000825590252 607758642 /nfs/dbraw/zinc/75/86/42/607758642.db2.gz RLAPSAGIYYYUDS-UHFFFAOYSA-N -1 0 320.357 -0.219 20 0 DBADRM O=C([O-])NC(CNC(=O)c1cnco1)CNC(=O)c1cnco1 ZINC000834146768 605493306 /nfs/dbraw/zinc/49/33/06/605493306.db2.gz LYVVDOJTYURJAR-UHFFFAOYSA-N -1 0 323.265 -0.541 20 0 DBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3cnco3)n2)CC1 ZINC000834057519 605493642 /nfs/dbraw/zinc/49/36/42/605493642.db2.gz FNEWJRYKSRASAT-UHFFFAOYSA-N -1 0 307.270 -0.155 20 0 DBADRM C[C@@H](CC(=O)c1ccco1)NC(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833802930 605503636 /nfs/dbraw/zinc/50/36/36/605503636.db2.gz XEQWTVPVPPEBDD-YUMQZZPRSA-N -1 0 311.294 -0.131 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)CC[C@H]2CCN(C(=O)[O-])C2)O1 ZINC000833982488 605506781 /nfs/dbraw/zinc/50/67/81/605506781.db2.gz WNJBYKYQVLGBRU-AXFHLTTASA-N -1 0 313.354 -0.084 20 0 DBADRM COCC1(O)CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000833881604 605512012 /nfs/dbraw/zinc/51/20/12/605512012.db2.gz GNHYWWLRLDMWGD-SNVBAGLBSA-N -1 0 301.343 -0.078 20 0 DBADRM NC(=O)CNC(=O)c1cccc(NC(=O)C2CN(C(=O)[O-])C2)c1 ZINC000833984281 605513547 /nfs/dbraw/zinc/51/35/47/605513547.db2.gz AXLASRYOHUJBHP-UHFFFAOYSA-N -1 0 320.305 -0.550 20 0 DBADRM Cc1noc(COC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)n1 ZINC000833933730 605513548 /nfs/dbraw/zinc/51/35/48/605513548.db2.gz MYHFDNYRBLQRNO-JTQLQIEISA-N -1 0 314.298 -0.170 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N[C@H]2CCCC[C@@H]2CO)C(=O)C1 ZINC000834004824 605524665 /nfs/dbraw/zinc/52/46/65/605524665.db2.gz IEBANIJPRBWMCG-MNOVXSKESA-N -1 0 313.354 -0.524 20 0 DBADRM NC(=O)C1(NC(=O)CC[C@@H]2CCN(C(=O)[O-])C2)CCOCC1 ZINC000833980594 605526661 /nfs/dbraw/zinc/52/66/61/605526661.db2.gz LNQWXFNMNNWGGE-SNVBAGLBSA-N -1 0 313.354 -0.083 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCCC3(C2)OCCO3)C1 ZINC000834116026 605529030 /nfs/dbraw/zinc/52/90/30/605529030.db2.gz HEDXHJUSBBZWQN-JTQLQIEISA-N -1 0 300.311 -0.269 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000833473720 605536700 /nfs/dbraw/zinc/53/67/00/605536700.db2.gz NWGDXSVETFZNHV-UHFFFAOYSA-N -1 0 323.353 -0.088 20 0 DBADRM COCC(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000833883187 605538735 /nfs/dbraw/zinc/53/87/35/605538735.db2.gz VVARUUMMLXPBIQ-JTQLQIEISA-N -1 0 303.359 -0.064 20 0 DBADRM CN(C)C(=O)CCCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000780317718 605539200 /nfs/dbraw/zinc/53/92/00/605539200.db2.gz PZHASIBSBOHCMR-UHFFFAOYSA-N -1 0 309.326 -0.382 20 0 DBADRM NS(=O)(=O)CCNC(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000831245277 605540225 /nfs/dbraw/zinc/54/02/25/605540225.db2.gz HJVWTNWJAGKZDM-VHSXEESVSA-N -1 0 321.399 -0.002 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000780315055 605540798 /nfs/dbraw/zinc/54/07/98/605540798.db2.gz NDRHGBJUBPAMQQ-ONGXEEELSA-N -1 0 324.337 -0.056 20 0 DBADRM O=C(CN1CCCS1(=O)=O)NC[C@@H]1CCN(C(=O)[O-])C1 ZINC000834007668 605540747 /nfs/dbraw/zinc/54/07/47/605540747.db2.gz OCLPSXMIPCKIEK-VIFPVBQESA-N -1 0 305.356 -0.862 20 0 DBADRM CC(C)(C(=O)NCC1(C)OCCO1)N1CCN(C(=O)[O-])CC1 ZINC000833824334 605543134 /nfs/dbraw/zinc/54/31/34/605543134.db2.gz VOBDDUGJCYPUFI-UHFFFAOYSA-N -1 0 315.370 -0.060 20 0 DBADRM Cn1nnnc1SCCC(=O)NC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833960336 605546709 /nfs/dbraw/zinc/54/67/09/605546709.db2.gz IMTGUSMKJVRWAX-QMMMGPOBSA-N -1 0 314.371 -0.192 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000834172134 605546843 /nfs/dbraw/zinc/54/68/43/605546843.db2.gz INFOTRUJDDNDPW-IWSPIJDZSA-N -1 0 310.310 -0.815 20 0 DBADRM COCC1(O)CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000833881909 605548120 /nfs/dbraw/zinc/54/81/20/605548120.db2.gz KCWUUFWHEFIOED-VHSXEESVSA-N -1 0 302.327 -0.901 20 0 DBADRM COCCN(CC(=O)N[C@]1(C(=O)OC)CCSC1)C(=O)[O-] ZINC000833884586 605549270 /nfs/dbraw/zinc/54/92/70/605549270.db2.gz PIKBPZUJACHLME-GFCCVEGCSA-N -1 0 320.367 -0.222 20 0 DBADRM COCCN(CC(=O)N1CCC(O)(COC)CC1)C(=O)[O-] ZINC000833884094 605549305 /nfs/dbraw/zinc/54/93/05/605549305.db2.gz BOUNHNCUWVBBDB-UHFFFAOYSA-N -1 0 304.343 -0.387 20 0 DBADRM C[C@@]1(C(=O)OCCN2CCCS2(=O)=O)CCN(C(=O)[O-])C1 ZINC000825690451 605549802 /nfs/dbraw/zinc/54/98/02/605549802.db2.gz JEGHMKUMKMLFAL-GFCCVEGCSA-N -1 0 320.367 -0.045 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)[C@H]1CSCN1C(=O)[O-] ZINC000833863502 605554705 /nfs/dbraw/zinc/55/47/05/605554705.db2.gz OHIKZLLRIOZBKZ-MRVPVSSYSA-N -1 0 310.397 -0.068 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000833863503 605555097 /nfs/dbraw/zinc/55/50/97/605555097.db2.gz OHIKZLLRIOZBKZ-QMMMGPOBSA-N -1 0 310.397 -0.068 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)C3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000833950847 605555512 /nfs/dbraw/zinc/55/55/12/605555512.db2.gz RDVPNJOBYOFEBB-JTQLQIEISA-N -1 0 307.310 -0.749 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000833863869 605555616 /nfs/dbraw/zinc/55/56/16/605555616.db2.gz TVRKSJWVEIUAGQ-LLVKDONJSA-N -1 0 310.347 -0.029 20 0 DBADRM C[C@@H](O)c1cn(C2CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C2)nn1 ZINC000833518848 605559023 /nfs/dbraw/zinc/55/90/23/605559023.db2.gz JZGDDOLOWPNGFI-HTQZYQBOSA-N -1 0 318.355 -0.761 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000823986717 605561840 /nfs/dbraw/zinc/56/18/40/605561840.db2.gz WMFNMXORNKAGSC-MRVPVSSYSA-N -1 0 307.372 -0.234 20 0 DBADRM COCCN1CCN(C(=O)c2cnc(C(=O)[O-])cn2)C[C@H]1C ZINC000833724614 605568385 /nfs/dbraw/zinc/56/83/85/605568385.db2.gz PDLGUJZDGPCACA-SNVBAGLBSA-N -1 0 308.338 -0.033 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)N2CCN(C(=O)CO)CC2)o1 ZINC000834246381 605573726 /nfs/dbraw/zinc/57/37/26/605573726.db2.gz MJXFFRQROYGDKG-UHFFFAOYSA-N -1 0 311.294 -0.676 20 0 DBADRM O=C([O-])N1CC[C@@H](CNC(=O)CNC(=O)c2ccccn2)C1 ZINC000834004696 605584274 /nfs/dbraw/zinc/58/42/74/605584274.db2.gz HCCQJEQVNHWZHO-JTQLQIEISA-N -1 0 306.322 -0.073 20 0 DBADRM O=C(C[C@@H]1CSCCN1C(=O)[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC000831408792 605586776 /nfs/dbraw/zinc/58/67/76/605586776.db2.gz PKGGCKMLVWXOFF-RKDXNWHRSA-N -1 0 322.408 -0.225 20 0 DBADRM CN(C)C(=O)CN(C)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827961255 605586984 /nfs/dbraw/zinc/58/69/84/605586984.db2.gz SDGROLNFOKCYEN-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NC1CCN(CC(N)=O)CC1 ZINC000824291907 605598496 /nfs/dbraw/zinc/59/84/96/605598496.db2.gz ISBZQUCATIBSJE-NSHDSACASA-N -1 0 314.386 -0.265 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NC1CCN(CC(N)=O)CC1 ZINC000823843801 605598587 /nfs/dbraw/zinc/59/85/87/605598587.db2.gz QNPYTZQKRHJELC-LLVKDONJSA-N -1 0 314.386 -0.265 20 0 DBADRM NC(=O)CN(CC(N)=O)C(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000833984513 605602988 /nfs/dbraw/zinc/60/29/88/605602988.db2.gz FFVXMWRKPZEWSW-JTQLQIEISA-N -1 0 322.321 -0.815 20 0 DBADRM O=C([O-])N1CC(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000834065760 605605571 /nfs/dbraw/zinc/60/55/71/605605571.db2.gz MXDLCRFLMAIGKY-LLVKDONJSA-N -1 0 311.338 -0.554 20 0 DBADRM C[C@H](O)[C@H]1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000167701146 605613101 /nfs/dbraw/zinc/61/31/01/605613101.db2.gz VDEAOFHJLXCARD-IUCAKERBSA-N -1 0 303.340 -0.641 20 0 DBADRM NC(=O)CN1CCC(NC(=O)C[C@H](NC(=O)[O-])C2CC2)CC1 ZINC000833985815 605619191 /nfs/dbraw/zinc/61/91/91/605619191.db2.gz XULVGPZPPKOLQC-NSHDSACASA-N -1 0 312.370 -0.511 20 0 DBADRM O=C([O-])N1[C@H](C(=O)NCC(=O)NCCO)C[C@H]2CCCC[C@@H]21 ZINC000834005353 605620664 /nfs/dbraw/zinc/62/06/64/605620664.db2.gz OCYIJKSJDBGUSK-VWYCJHECSA-N -1 0 313.354 -0.478 20 0 DBADRM O=C([O-])N1CCc2ccccc2[C@H]1C(=O)NCC(=O)NCCO ZINC000834004955 605623575 /nfs/dbraw/zinc/62/35/75/605623575.db2.gz JQLJFBCAYMRZJK-ZDUSSCGKSA-N -1 0 321.333 -0.512 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NC[C@H](CO)Cc1ccco1 ZINC000831616276 605624453 /nfs/dbraw/zinc/62/44/53/605624453.db2.gz RRMDDDFURAJNFB-FOGDFJRCSA-N -1 0 312.322 -0.340 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCCNC(=O)[O-])cn1 ZINC000833880836 605627413 /nfs/dbraw/zinc/62/74/13/605627413.db2.gz ORFRFUYFMQWPPK-UHFFFAOYSA-N -1 0 303.296 -0.586 20 0 DBADRM Cn1cc(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)nn1 ZINC000833949010 605629676 /nfs/dbraw/zinc/62/96/76/605629676.db2.gz LANGZGLQVXAKSP-UHFFFAOYSA-N -1 0 308.298 -0.621 20 0 DBADRM O=C([O-])N[C@H](CC(=O)NC[C@@H](O)CN1CCOCC1)C1CC1 ZINC000834124489 605630373 /nfs/dbraw/zinc/63/03/73/605630373.db2.gz GNKNQGMKBDIHMK-VXGBXAGGSA-N -1 0 315.370 -0.768 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000739765064 605631250 /nfs/dbraw/zinc/63/12/50/605631250.db2.gz WTPSKUDVMNORTK-VIFPVBQESA-N -1 0 308.356 -0.047 20 0 DBADRM O=C([O-])NC1CCN(CC(=O)NCCCn2cncn2)CC1 ZINC000832386590 605641491 /nfs/dbraw/zinc/64/14/91/605641491.db2.gz HJYNKXMVMNRCPN-UHFFFAOYSA-N -1 0 310.358 -0.484 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)(C)C)CC1 ZINC000828880247 605643346 /nfs/dbraw/zinc/64/33/46/605643346.db2.gz HQHMEKMGWFALOS-LLVKDONJSA-N -1 0 315.370 -0.014 20 0 DBADRM O=C([O-])N1CC(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 ZINC000834012670 605646888 /nfs/dbraw/zinc/64/68/88/605646888.db2.gz WYOMONWROIYUBR-UHFFFAOYSA-N -1 0 307.310 -0.290 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NC[C@@H]2CN3CCN2CC3)C1 ZINC000834085611 605651441 /nfs/dbraw/zinc/65/14/41/605651441.db2.gz SEQPSUCEMBFBBX-MFKMUULPSA-N -1 0 300.334 -0.806 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN(C)C(C)=O ZINC000833703846 605652601 /nfs/dbraw/zinc/65/26/01/605652601.db2.gz CMUNXPBZMKKYRX-UWVGGRQHSA-N -1 0 300.311 -0.671 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC000833664785 605655569 /nfs/dbraw/zinc/65/55/69/605655569.db2.gz AGLSLBLXAYPLTJ-BDAKNGLRSA-N -1 0 321.351 -0.714 20 0 DBADRM O=C([O-])NCC1(C(=O)NC[C@@H]2CN3CCN2CC3)CCCC1 ZINC000834205585 605656081 /nfs/dbraw/zinc/65/60/81/605656081.db2.gz BWKQUIXWBNWOBS-GFCCVEGCSA-N -1 0 310.398 -0.070 20 0 DBADRM CN1CC[C@@H](NC(=O)C[C@H]2CSCCN2C(=O)[O-])C1=O ZINC000828466121 605658850 /nfs/dbraw/zinc/65/88/50/605658850.db2.gz LDEIXSXMNSBZBX-DTWKUNHWSA-N -1 0 301.368 -0.181 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NC[C@@H]1CCCn2ccnc21 ZINC000834031864 605659091 /nfs/dbraw/zinc/65/90/91/605659091.db2.gz LCLTVMIOGLTSSW-GARJFASQSA-N -1 0 308.338 -0.010 20 0 DBADRM O=C([O-])N1CCCC[C@@H]1CNC(=O)NCC1(CO)COC1 ZINC000834027542 605659368 /nfs/dbraw/zinc/65/93/68/605659368.db2.gz WCEKENZHNKAVRK-SNVBAGLBSA-N -1 0 301.343 -0.173 20 0 DBADRM O=C([O-])NC1CCN(CC(=O)NCCNc2ncccn2)CC1 ZINC000832386350 605666500 /nfs/dbraw/zinc/66/65/00/605666500.db2.gz AQDNTOYBQVAINO-UHFFFAOYSA-N -1 0 322.369 -0.263 20 0 DBADRM NC(=O)[C@@H]1COCCN1C(=O)c1csc(CNC(=O)[O-])n1 ZINC000833980338 605667665 /nfs/dbraw/zinc/66/76/65/605667665.db2.gz KWXJIWOCURJWLG-ZETCQYMHSA-N -1 0 314.323 -0.763 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCN(CC(N)=O)CC1 ZINC000823844041 605670110 /nfs/dbraw/zinc/67/01/10/605670110.db2.gz ZYCCDIMAGTWSBB-SNVBAGLBSA-N -1 0 300.359 -0.702 20 0 DBADRM O=C([O-])Nc1ccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cn1 ZINC000834260844 605675479 /nfs/dbraw/zinc/67/54/79/605675479.db2.gz ZLSOWSZKWOFNKP-SNVBAGLBSA-N -1 0 319.321 -0.686 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000736420995 605687374 /nfs/dbraw/zinc/68/73/74/605687374.db2.gz KNNCFGBKQVFYEY-VIFPVBQESA-N -1 0 322.387 -0.984 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC(NC(=O)[O-])CC1)C(N)=O ZINC000824129599 605707636 /nfs/dbraw/zinc/70/76/36/605707636.db2.gz RPDCYHBZETUGNT-NSHDSACASA-N -1 0 300.359 -0.656 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C1 ZINC000834016654 605715675 /nfs/dbraw/zinc/71/56/75/605715675.db2.gz FWDVXUWKSYLOHM-GYSYKLTISA-N -1 0 314.338 -0.181 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N[C@H](CO)CC(F)(F)F ZINC000834017000 605723610 /nfs/dbraw/zinc/72/36/10/605723610.db2.gz YNXUISVEUHIKJW-ACZMJKKPSA-N -1 0 300.233 -0.471 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000823839162 605727581 /nfs/dbraw/zinc/72/75/81/605727581.db2.gz NXKFJMMZZWGPMY-RKDXNWHRSA-N -1 0 321.399 -0.181 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000829017634 605730134 /nfs/dbraw/zinc/73/01/34/605730134.db2.gz CBHOLSFFBMKUMD-NXEZZACHSA-N -1 0 322.383 -0.305 20 0 DBADRM CN(C)c1cnc(C(=O)NCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000833871538 605732059 /nfs/dbraw/zinc/73/20/59/605732059.db2.gz RRVXMOBMJWRVEA-UHFFFAOYSA-N -1 0 322.369 -0.432 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CN1CCCS1(=O)=O ZINC000825810285 605737508 /nfs/dbraw/zinc/73/75/08/605737508.db2.gz UGAOVXXHGFFHHS-ZJUUUORDSA-N -1 0 319.383 -0.331 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NC[C@H](O)C2CCOCC2)C1 ZINC000834033271 605738324 /nfs/dbraw/zinc/73/83/24/605738324.db2.gz HKJHLRMCLYEAPU-NSHDSACASA-N -1 0 301.343 -0.317 20 0 DBADRM O=C([O-])N1CC(CNC(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000834068411 605740424 /nfs/dbraw/zinc/74/04/24/605740424.db2.gz VIAYDBMPWFQZKH-LBPRGKRZSA-N -1 0 312.370 -0.288 20 0 DBADRM O=C([O-])N1CC(CNC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000834068523 605743149 /nfs/dbraw/zinc/74/31/49/605743149.db2.gz WKWKRIVMQOHCPD-UHFFFAOYSA-N -1 0 320.353 -0.082 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCC1CN(C(=O)[O-])C1 ZINC000834008441 605745432 /nfs/dbraw/zinc/74/54/32/605745432.db2.gz ZJQGCTWCGMJXFQ-GHMZBOCLSA-N -1 0 323.349 -0.112 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000834016570 605747538 /nfs/dbraw/zinc/74/75/38/605747538.db2.gz DGBPKUIDHIGBCX-UHIISALHSA-N -1 0 314.338 -0.181 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000834016567 605747747 /nfs/dbraw/zinc/74/77/47/605747747.db2.gz DGBPKUIDHIGBCX-SUNKGSAMSA-N -1 0 314.338 -0.181 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)NCC2CN(C(=O)[O-])C2)C1=O ZINC000833847290 605748366 /nfs/dbraw/zinc/74/83/66/605748366.db2.gz XBYWVACJQFTNPR-ZDUSSCGKSA-N -1 0 312.326 -0.567 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCCc1nc2ccccc2[nH]1 ZINC000833983443 605750935 /nfs/dbraw/zinc/75/09/35/605750935.db2.gz VITAKNWMLIYBMC-SNVBAGLBSA-N -1 0 319.321 -0.267 20 0 DBADRM Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833960958 605751521 /nfs/dbraw/zinc/75/15/21/605751521.db2.gz HQZLNLUBXMDRCM-DTWKUNHWSA-N -1 0 309.326 -0.575 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CC1 ZINC000834020660 605751894 /nfs/dbraw/zinc/75/18/94/605751894.db2.gz VKEAZBXIVNZVOD-WCQGTBRESA-N -1 0 311.338 -0.650 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)Nc1cc(S(N)(=O)=O)ccc1O ZINC000833894683 605752216 /nfs/dbraw/zinc/75/22/16/605752216.db2.gz FIOOOXODMVCUDS-RXMQYKEDSA-N -1 0 303.296 -0.366 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCCc1cn2c(n1)CCCC2 ZINC000833983375 605752675 /nfs/dbraw/zinc/75/26/75/605752675.db2.gz SXNDPIJUFURJGF-SNVBAGLBSA-N -1 0 323.353 -0.610 20 0 DBADRM Cc1nccn1C[C@H](C)CNC(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833916795 605753252 /nfs/dbraw/zinc/75/32/52/605753252.db2.gz BRRLBUZCTNXFBF-SCZZXKLOSA-N -1 0 311.342 -0.545 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CCNS(C)(=O)=O ZINC000825810720 605754164 /nfs/dbraw/zinc/75/41/64/605754164.db2.gz XDUANQSQDYGFII-RKDXNWHRSA-N -1 0 307.372 -0.427 20 0 DBADRM O=C([O-])N1CC(CNC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000834011905 605754468 /nfs/dbraw/zinc/75/44/68/605754468.db2.gz COHWAFUUDYORFT-UHFFFAOYSA-N -1 0 317.305 -0.483 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000825837763 605755947 /nfs/dbraw/zinc/75/59/47/605755947.db2.gz JKJZIDRRMXGNQV-BDAKNGLRSA-N -1 0 324.337 -0.655 20 0 DBADRM CC[C@]1(C(=O)NCCNS(=O)(=O)CC)CCCN1C(=O)[O-] ZINC000833844427 605756111 /nfs/dbraw/zinc/75/61/11/605756111.db2.gz UCXKPLGSRJBRHS-GFCCVEGCSA-N -1 0 321.399 -0.036 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CCC(C2OCCO2)CC1 ZINC000833980477 605757210 /nfs/dbraw/zinc/75/72/10/605757210.db2.gz MRJJRSFCONJZRY-SECBINFHSA-N -1 0 315.326 -0.891 20 0 DBADRM Cc1ncsc1CN(C)C(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833917850 605757782 /nfs/dbraw/zinc/75/77/82/605757782.db2.gz LSHPNLCDKPFVJM-ZETCQYMHSA-N -1 0 300.340 -0.078 20 0 DBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)NCC1CN(C(=O)[O-])C1 ZINC000834009694 605757810 /nfs/dbraw/zinc/75/78/10/605757810.db2.gz BEVGJXCUCXHBEV-SECBINFHSA-N -1 0 322.408 -0.367 20 0 DBADRM Cn1cc([C@H]2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])C2)cn1 ZINC000833946534 605758341 /nfs/dbraw/zinc/75/83/41/605758341.db2.gz HMEBIVCETXGFNG-WCBMZHEXSA-N -1 0 309.326 -0.752 20 0 DBADRM Cc1noc(C)c1CCCNC(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833931350 605761836 /nfs/dbraw/zinc/76/18/36/605761836.db2.gz OVWGQESSNCGCFZ-SNVBAGLBSA-N -1 0 312.326 -0.148 20 0 DBADRM Cn1ccnc1-c1cc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])n[nH]1 ZINC000833952220 605763423 /nfs/dbraw/zinc/76/34/23/605763423.db2.gz JFKQDERBKWSELU-ZETCQYMHSA-N -1 0 321.297 -0.740 20 0 DBADRM Cc1nnc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)s1 ZINC000833924789 605764001 /nfs/dbraw/zinc/76/40/01/605764001.db2.gz YEVFJJOZPSCALE-UHFFFAOYSA-N -1 0 313.339 -0.715 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000834216683 605765007 /nfs/dbraw/zinc/76/50/07/605765007.db2.gz VAIGGRCSBMQHSO-VIFPVBQESA-N -1 0 324.341 -0.419 20 0 DBADRM O=C([O-])NCCNC(=O)C(=O)Nc1ccnn1-c1ccncc1 ZINC000834239554 605766909 /nfs/dbraw/zinc/76/69/09/605766909.db2.gz NIFRSFMRXLWPEQ-UHFFFAOYSA-N -1 0 318.293 -0.410 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000833982996 605767405 /nfs/dbraw/zinc/76/74/05/605767405.db2.gz DSCBNNFFCDXKKW-MRVPVSSYSA-N -1 0 319.281 -0.683 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CNC(=O)C2CC2)[C@H](C(=O)[O-])C1 ZINC000833711390 605769009 /nfs/dbraw/zinc/76/90/09/605769009.db2.gz WUCAVSULJJMBAR-ZJUUUORDSA-N -1 0 312.322 -0.623 20 0 DBADRM C=CC(=O)NCCC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC000833372381 605769013 /nfs/dbraw/zinc/76/90/13/605769013.db2.gz RTWJLPZADPAJSI-VHSXEESVSA-N -1 0 312.322 -0.457 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)NCC1CN(C(=O)[O-])C1)CC2 ZINC000833956445 605771299 /nfs/dbraw/zinc/77/12/99/605771299.db2.gz ASAPJEDWDPVISB-UHFFFAOYSA-N -1 0 321.337 -0.542 20 0 DBADRM O=C([O-])N1CC(CNC(=O)N2CCO[C@@H](Cn3cncn3)C2)C1 ZINC000834066800 605771733 /nfs/dbraw/zinc/77/17/33/605771733.db2.gz JJRBEDXBDWTMAC-LLVKDONJSA-N -1 0 324.341 -0.702 20 0 DBADRM COC(=O)CCNC(=O)CN1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000833879207 605772397 /nfs/dbraw/zinc/77/23/97/605772397.db2.gz LSHYRJRWTICYMU-UWVGGRQHSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC000825808962 605772959 /nfs/dbraw/zinc/77/29/59/605772959.db2.gz LNIAKEJRLROXPV-VHSXEESVSA-N -1 0 324.337 -0.426 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000834018712 605775391 /nfs/dbraw/zinc/77/53/91/605775391.db2.gz LTZWYYDOWPVISQ-FOUMNBMASA-N -1 0 306.318 -0.126 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N(CCO)Cc2cccnc2)C1 ZINC000834116493 605776703 /nfs/dbraw/zinc/77/67/03/605776703.db2.gz KYVSILUHHWOASK-LBPRGKRZSA-N -1 0 309.322 -0.219 20 0 DBADRM Cn1nnnc1CCNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000833961488 605786024 /nfs/dbraw/zinc/78/60/24/605786024.db2.gz UAQRMTITQSUJDA-VIFPVBQESA-N -1 0 312.330 -0.972 20 0 DBADRM Cn1nnnc1CCNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000833961487 605786034 /nfs/dbraw/zinc/78/60/34/605786034.db2.gz UAQRMTITQSUJDA-SECBINFHSA-N -1 0 312.330 -0.972 20 0 DBADRM O=C([O-])N1CCN(CC(=O)Nc2cc(Cl)[nH]n2)C(=O)C1 ZINC000834005323 605786723 /nfs/dbraw/zinc/78/67/23/605786723.db2.gz MFDGCIZCTRHMFN-UHFFFAOYSA-N -1 0 301.690 -0.176 20 0 DBADRM O=C([O-])N1CCC[C@H](C(=O)NCCCN2CCNC(=O)C2)C1 ZINC000834289646 605787127 /nfs/dbraw/zinc/78/71/27/605787127.db2.gz NPMRYQFTCHLNOE-NSHDSACASA-N -1 0 312.370 -0.686 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NCCC(=O)N1CCOCC1 ZINC000833806032 605789935 /nfs/dbraw/zinc/78/99/35/605789935.db2.gz BTLLTWCGTWLDBC-JTQLQIEISA-N -1 0 316.358 -0.562 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NCCCN1C(=O)CNC1=O ZINC000833809366 605792383 /nfs/dbraw/zinc/79/23/83/605792383.db2.gz UAWHMEKKQGQZBO-QMMMGPOBSA-N -1 0 315.330 -0.869 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834144832 605793216 /nfs/dbraw/zinc/79/32/16/605793216.db2.gz MDMNZYLWJNSEOB-RKDXNWHRSA-N -1 0 305.356 -0.481 20 0 DBADRM COCCc1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])n(C)n1 ZINC000829024111 605803801 /nfs/dbraw/zinc/80/38/01/605803801.db2.gz KBOSCGPMCNLFIS-ZJUUUORDSA-N -1 0 312.326 -0.339 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)NC[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834148789 605810144 /nfs/dbraw/zinc/81/01/44/605810144.db2.gz XRKYRTYQCCFFLE-PSASIEDQSA-N -1 0 319.383 -0.234 20 0 DBADRM Cc1oc(C(=O)NC[C@@H](C)CNC(=O)[O-])cc1S(N)(=O)=O ZINC000833936512 605812128 /nfs/dbraw/zinc/81/21/28/605812128.db2.gz YPOMCXYVJOARRI-ZCFIWIBFSA-N -1 0 319.339 -0.131 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000833808342 605813149 /nfs/dbraw/zinc/81/31/49/605813149.db2.gz CYRCXCMQLSWQKF-XNPJLODASA-N -1 0 324.337 -0.883 20 0 DBADRM O=C([O-])Nc1cccc(CC(=O)NCCN2C(=O)CNC2=O)c1 ZINC000834266790 605813496 /nfs/dbraw/zinc/81/34/96/605813496.db2.gz KEEHWLUSTXBYFH-UHFFFAOYSA-N -1 0 320.305 -0.013 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000833808729 605813653 /nfs/dbraw/zinc/81/36/53/605813653.db2.gz GKVQQAJCGBUVEH-ZETCQYMHSA-N -1 0 300.315 -0.663 20 0 DBADRM Cn1cnnc1CN1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000831046016 605814906 /nfs/dbraw/zinc/81/49/06/605814906.db2.gz IPVNTOOJXOHEDT-SNVBAGLBSA-N -1 0 310.358 -0.589 20 0 DBADRM O=C([O-])N1CCC[C@@H](C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834041390 605818920 /nfs/dbraw/zinc/81/89/20/605818920.db2.gz KGEXEFSIEDZXMG-SECBINFHSA-N -1 0 309.326 -0.354 20 0 DBADRM O=C([O-])N1CCC[C@H](C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834041392 605818977 /nfs/dbraw/zinc/81/89/77/605818977.db2.gz KGEXEFSIEDZXMG-VIFPVBQESA-N -1 0 309.326 -0.354 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834169907 605819017 /nfs/dbraw/zinc/81/90/17/605819017.db2.gz MEPPKMRIMPFXNW-RKDXNWHRSA-N -1 0 309.326 -0.308 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)N2CCN3C(=O)OCC[C@@H]3C2)C1 ZINC000834085950 605819321 /nfs/dbraw/zinc/81/93/21/605819321.db2.gz UAWFHMFSRQLHPM-VHSXEESVSA-N -1 0 312.326 -0.025 20 0 DBADRM NC(=O)NC(=O)COC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000831207979 605820286 /nfs/dbraw/zinc/82/02/86/605820286.db2.gz ICHUSJLMEXWZBH-ZCFIWIBFSA-N -1 0 305.312 -0.790 20 0 DBADRM C[C@@H](OC(=O)C[C@@H]1CSCCN1C(=O)[O-])C(=O)NC(N)=O ZINC000825585084 605821236 /nfs/dbraw/zinc/82/12/36/605821236.db2.gz HWTHEZGQYPCIAB-RNFRBKRXSA-N -1 0 319.339 -0.402 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)NCc1nnnn1C1CC1)C1CC1 ZINC000834144796 605821824 /nfs/dbraw/zinc/82/18/24/605821824.db2.gz RTMPJLKUVXPKDL-VIFPVBQESA-N -1 0 309.330 -0.147 20 0 DBADRM Cn1nnnc1CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833960704 605823099 /nfs/dbraw/zinc/82/30/99/605823099.db2.gz LWWUEJGMDHGQME-ZJUUUORDSA-N -1 0 323.357 -0.321 20 0 DBADRM O=C([O-])N1CCC2(C[C@H]2C(=O)N2CCN(CCO)CC2)CC1 ZINC000834088876 605823952 /nfs/dbraw/zinc/82/39/52/605823952.db2.gz NOJVXQXKYQSUGM-LBPRGKRZSA-N -1 0 311.382 -0.097 20 0 DBADRM Cc1nnc(CN(C)CC(=O)NC[C@H](C)CNC(=O)[O-])n1C ZINC000833924764 605827569 /nfs/dbraw/zinc/82/75/69/605827569.db2.gz XQRVFCFMFMTTGX-VIFPVBQESA-N -1 0 312.374 -0.425 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000833809690 605828498 /nfs/dbraw/zinc/82/84/98/605828498.db2.gz LTIDEYGDEIMGCI-SSDOTTSWSA-N -1 0 300.315 -0.663 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)NC[C@H](NC(=O)[O-])C1CC1 ZINC000833838110 605845535 /nfs/dbraw/zinc/84/55/35/605845535.db2.gz MLKBLWMWFFJUDX-WPRPVWTQSA-N -1 0 319.383 -0.139 20 0 DBADRM O=C([O-])Nc1cccc(CC(=O)N2CCN(C(=O)CO)CC2)c1 ZINC000834264189 605846678 /nfs/dbraw/zinc/84/66/78/605846678.db2.gz BYWJSXUOGQMBFL-UHFFFAOYSA-N -1 0 321.333 -0.018 20 0 DBADRM NC(=O)CNC(=S)Nc1cnc2c(c1)CN(C(=O)[O-])CC2 ZINC000833984337 605856560 /nfs/dbraw/zinc/85/65/60/605856560.db2.gz DESDGFPTZCMJDX-UHFFFAOYSA-N -1 0 309.351 -0.111 20 0 DBADRM O=C([O-])Nc1cccc(C(=O)NCCN2CCNC(=O)C2)c1 ZINC000834263054 605860611 /nfs/dbraw/zinc/86/06/11/605860611.db2.gz PDWPLQSWWCSWFA-UHFFFAOYSA-N -1 0 306.322 -0.062 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)CCC(=O)N1CCOCC1)C1CC1 ZINC000834140346 605871780 /nfs/dbraw/zinc/87/17/80/605871780.db2.gz NLTRZNQRXMBAEO-NSHDSACASA-N -1 0 313.354 -0.212 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCO[C@@H](CO)C1 ZINC000826099205 605876229 /nfs/dbraw/zinc/87/62/29/605876229.db2.gz AQHVKVJIXNLJSZ-IVZWLZJFSA-N -1 0 302.327 -0.291 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000833950394 605878778 /nfs/dbraw/zinc/87/87/78/605878778.db2.gz HSLRFAIZXUFNAI-NSHDSACASA-N -1 0 311.294 -0.914 20 0 DBADRM C[C@H](CC(=O)N1CCCC[C@H]1CS(N)(=O)=O)NC(=O)[O-] ZINC000824583573 605880107 /nfs/dbraw/zinc/88/01/07/605880107.db2.gz UXTLBTUAVJFKLX-BDAKNGLRSA-N -1 0 307.372 -0.298 20 0 DBADRM Cc1c[nH]cc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])c1=O ZINC000833912425 605880404 /nfs/dbraw/zinc/88/04/04/605880404.db2.gz NPLIOHDMBXAJSY-SNVBAGLBSA-N -1 0 308.338 -0.293 20 0 DBADRM CCN(CC(=O)N1CCCC[C@@H]1CS(N)(=O)=O)C(=O)[O-] ZINC000826996865 605880656 /nfs/dbraw/zinc/88/06/56/605880656.db2.gz NBVGBIWMSFKUOL-SECBINFHSA-N -1 0 307.372 -0.344 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000827514444 605880839 /nfs/dbraw/zinc/88/08/39/605880839.db2.gz OLXTXWRISBHXFI-BDAKNGLRSA-N -1 0 307.372 -0.298 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000831244865 605881694 /nfs/dbraw/zinc/88/16/94/605881694.db2.gz DCMVWVKJLAHFMB-UWVGGRQHSA-N -1 0 319.383 -0.344 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000833688239 605884200 /nfs/dbraw/zinc/88/42/00/605884200.db2.gz MZLYVZSMFPXMPY-UHFFFAOYSA-N -1 0 311.269 -0.333 20 0 DBADRM O=C([O-])NCCCCC(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000834236583 605899383 /nfs/dbraw/zinc/89/93/83/605899383.db2.gz QYZXLLGQYKWCQK-NSHDSACASA-N -1 0 311.342 -0.057 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(CN2CC[C@H](NC(=O)[O-])C2)c1 ZINC000739614957 605899767 /nfs/dbraw/zinc/89/97/67/605899767.db2.gz QIJSHBKLUAMGBG-VIFPVBQESA-N -1 0 317.371 -0.567 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)[C@H]2CC23CCN(C(=O)[O-])CC3)CCO1 ZINC000833980480 605904038 /nfs/dbraw/zinc/90/40/38/605904038.db2.gz MUFKIMVPUCVHAC-NXEZZACHSA-N -1 0 311.338 -0.521 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NCC[C@H](C)NC(=O)[O-])CCO1 ZINC000833876575 605908708 /nfs/dbraw/zinc/90/87/08/605908708.db2.gz IFFXRPSRSIUYAE-IUCAKERBSA-N -1 0 302.331 -0.811 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000833875988 605910879 /nfs/dbraw/zinc/91/08/79/605910879.db2.gz CTUVEZRZGDWZKF-ZJUUUORDSA-N -1 0 314.342 -0.715 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)C[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834141227 605911046 /nfs/dbraw/zinc/91/10/46/605911046.db2.gz VDKJTFONGLQKKH-WCBMZHEXSA-N -1 0 304.368 -0.026 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NC[C@H](NC(=O)[O-])C2CC2)CCO1 ZINC000833879111 605911422 /nfs/dbraw/zinc/91/14/22/605911422.db2.gz WVROSJUJYOMWCX-UWVGGRQHSA-N -1 0 314.342 -0.811 20 0 DBADRM NC(=O)COCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[O-] ZINC000833985780 605912384 /nfs/dbraw/zinc/91/23/84/605912384.db2.gz WATURLWIHTZRNM-AXFHLTTASA-N -1 0 313.354 -0.084 20 0 DBADRM CS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820885737 605920185 /nfs/dbraw/zinc/92/01/85/605920185.db2.gz IZBFGBNGNHDACW-UHFFFAOYSA-N -1 0 314.319 -0.516 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)ccc1=O ZINC000833949450 605920538 /nfs/dbraw/zinc/92/05/38/605920538.db2.gz JPBVHPWVZWYJPX-VIFPVBQESA-N -1 0 322.321 -0.560 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)ccc1=O ZINC000833948699 605921925 /nfs/dbraw/zinc/92/19/25/605921925.db2.gz CJYVCFVYUMBTJE-SECBINFHSA-N -1 0 308.294 -0.808 20 0 DBADRM O=C([O-])N1CCc2ncc(NC(=O)N(CCO)CCO)cc2C1 ZINC000834122289 605925095 /nfs/dbraw/zinc/92/50/95/605925095.db2.gz YITPSBXLDJNSAC-UHFFFAOYSA-N -1 0 324.337 -0.064 20 0 DBADRM COC(=O)C1CCN(C(=O)CN2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000739756509 605926522 /nfs/dbraw/zinc/92/65/22/605926522.db2.gz QWCNXCHPTUWDKC-NSHDSACASA-N -1 0 313.354 -0.260 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)CC2CCN(C(=O)[O-])CC2)CCO1 ZINC000833875922 605929775 /nfs/dbraw/zinc/92/97/75/605929775.db2.gz BPASPUQILFNWRA-LLVKDONJSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000834242244 605930313 /nfs/dbraw/zinc/93/03/13/605930313.db2.gz DRMYVEMOXGHDBD-SECBINFHSA-N -1 0 301.299 -0.676 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[C@H](NC(=O)[O-])C1 ZINC000738612448 605932619 /nfs/dbraw/zinc/93/26/19/605932619.db2.gz HAAZNZQKNANQHE-MXWKQRLJSA-N -1 0 312.370 -0.559 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NN1Cc2ccccc2C1=O ZINC000834199313 605935233 /nfs/dbraw/zinc/93/52/33/605935233.db2.gz YJVIUMFZECSZFG-UHFFFAOYSA-N -1 0 306.278 -0.943 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[C@H](NC(=O)[O-])C1 ZINC000823661185 605935474 /nfs/dbraw/zinc/93/54/74/605935474.db2.gz HAAZNZQKNANQHE-AXFHLTTASA-N -1 0 312.370 -0.559 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@@H](NC(=O)[O-])c2ccccc2)CCO1 ZINC000833875252 605935906 /nfs/dbraw/zinc/93/59/06/605935906.db2.gz MGMPJSTYLJDEPV-NEPJUHHUSA-N -1 0 321.333 -0.031 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000833864181 605937376 /nfs/dbraw/zinc/93/73/76/605937376.db2.gz JWUHZEJIACHSOQ-QMMMGPOBSA-N -1 0 312.326 -0.425 20 0 DBADRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000834217439 605937428 /nfs/dbraw/zinc/93/74/28/605937428.db2.gz UZUPZJZQJJZATK-YIZRAAEISA-N -1 0 312.326 -0.473 20 0 DBADRM O=C([O-])NC1CCC(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC000834162326 605941634 /nfs/dbraw/zinc/94/16/34/605941634.db2.gz CVFIWNURBYUUIE-UDNWOFFPSA-N -1 0 324.337 -0.425 20 0 DBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000833769437 605941988 /nfs/dbraw/zinc/94/19/88/605941988.db2.gz CEXXXXKJBMWNES-UHFFFAOYSA-N -1 0 307.262 -0.168 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000834287917 605942206 /nfs/dbraw/zinc/94/22/06/605942206.db2.gz BDVWJYUVIFJIDF-BDAKNGLRSA-N -1 0 310.310 -0.719 20 0 DBADRM CN(C)c1ncc(NC(=O)C(=O)NCCCN(C)C(=O)[O-])cn1 ZINC000833873332 605943551 /nfs/dbraw/zinc/94/35/51/605943551.db2.gz TTWNNSLWCLDGDO-UHFFFAOYSA-N -1 0 324.341 -0.403 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)N1CCN2C(=O)NC[C@H]2C1)C1CC1 ZINC000834145000 605944710 /nfs/dbraw/zinc/94/47/10/605944710.db2.gz NMZACDGCWWENIT-VHSXEESVSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)N1CCN2C(=O)NC[C@@H]2C1)C1CC1 ZINC000834145002 605944872 /nfs/dbraw/zinc/94/48/72/605944872.db2.gz NMZACDGCWWENIT-ZJUUUORDSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCCN2CCC2)cn1 ZINC000834261939 605947259 /nfs/dbraw/zinc/94/72/59/605947259.db2.gz HNGZIUIZBPOBOJ-UHFFFAOYSA-N -1 0 307.310 -0.068 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)CNC(=O)c2ccc(O)cc2)C1 ZINC000740590049 605949444 /nfs/dbraw/zinc/94/94/44/605949444.db2.gz SYLVSGPDAIAUBT-JTQLQIEISA-N -1 0 307.306 -0.010 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@H](NC(=O)[O-])C2)cs1 ZINC000740338250 605951438 /nfs/dbraw/zinc/95/14/38/605951438.db2.gz MRZIHPPOPQMYAJ-ZETCQYMHSA-N -1 0 319.364 -0.122 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)Nc2n[nH]c(SCCO)n2)C1 ZINC000834084150 605952184 /nfs/dbraw/zinc/95/21/84/605952184.db2.gz LIPUMZSSURZCJY-JTQLQIEISA-N -1 0 319.318 -0.080 20 0 DBADRM O=C(CN(C(=O)[O-])C1CC1)NCCN1C(=O)CSC1=O ZINC000833997070 605962417 /nfs/dbraw/zinc/96/24/17/605962417.db2.gz AUFKOTRGJSHFMK-UHFFFAOYSA-N -1 0 301.324 -0.060 20 0 DBADRM Cn1nnnc1CCNC(=O)N1CCCC[C@@H]1CNC(=O)[O-] ZINC000833960430 605971998 /nfs/dbraw/zinc/97/19/98/605971998.db2.gz KWBRJTMAOSZZPM-SECBINFHSA-N -1 0 311.346 -0.416 20 0 DBADRM COC(=O)CCN1CCN(C(=O)C2(NC(=O)[O-])CC2)[C@H](C)C1 ZINC000833877645 605972468 /nfs/dbraw/zinc/97/24/68/605972468.db2.gz AZXIGYDNSIIGRG-SNVBAGLBSA-N -1 0 313.354 -0.118 20 0 DBADRM Cn1c(=O)cc(COC(=O)CN(C(=O)[O-])C2CC2)n(C)c1=O ZINC000833941582 605979612 /nfs/dbraw/zinc/97/96/12/605979612.db2.gz CKEPJVUJBBNVDP-UHFFFAOYSA-N -1 0 311.294 -0.730 20 0 DBADRM O=C(COC(=O)CN(C(=O)[O-])C1CC1)NC[C@H]1CCCO1 ZINC000834008754 605980634 /nfs/dbraw/zinc/98/06/34/605980634.db2.gz UWQIZIYPASVIHD-SNVBAGLBSA-N -1 0 300.311 -0.033 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)CN(C(=O)[O-])C1CC1 ZINC000833986310 605984304 /nfs/dbraw/zinc/98/43/04/605984304.db2.gz NVRXEPUIUKAKIJ-SECBINFHSA-N -1 0 305.356 -0.592 20 0 DBADRM O=C([O-])NCCOCC(=O)OCC1CCS(=O)(=O)CC1 ZINC000834242513 605984820 /nfs/dbraw/zinc/98/48/20/605984820.db2.gz LHGBXKJYXNBMJW-UHFFFAOYSA-N -1 0 309.340 -0.361 20 0 DBADRM O=C([O-])NCCNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000834238971 605985807 /nfs/dbraw/zinc/98/58/07/605985807.db2.gz CDJTYLBMIAIWIW-UHFFFAOYSA-N -1 0 318.293 -0.206 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)N[C@H](CO)C1CCOCC1 ZINC000834011725 605987951 /nfs/dbraw/zinc/98/79/51/605987951.db2.gz ZQXQNCGNFBYJQO-LLVKDONJSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C1CC1 ZINC000834141465 605991298 /nfs/dbraw/zinc/99/12/98/605991298.db2.gz CTVPMZTXJSKDDP-GXSJLCMTSA-N -1 0 321.337 -0.075 20 0 DBADRM O=C([O-])N1CCC(C(=O)NCCCN2CCNC(=O)C2)CC1 ZINC000834288617 605993395 /nfs/dbraw/zinc/99/33/95/605993395.db2.gz COUJZIRGVXLVEU-UHFFFAOYSA-N -1 0 312.370 -0.686 20 0 DBADRM N=C1NC(=O)C(CC(=O)NC[C@H](NC(=O)[O-])C2CC2)S1 ZINC000833986124 605994238 /nfs/dbraw/zinc/99/42/38/605994238.db2.gz ISITUCMFQBMLCV-NKWVEPMBSA-N -1 0 300.340 -0.295 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000834135790 606002077 /nfs/dbraw/zinc/00/20/77/606002077.db2.gz ZWCZLUZMAMDLKG-RITPCOANSA-N -1 0 300.283 -0.419 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)O[C@H]2CCS(=O)(=O)C2)cn1 ZINC000834279589 606013790 /nfs/dbraw/zinc/01/37/90/606013790.db2.gz UXUAKZAZGNSJHU-LURJTMIESA-N -1 0 301.280 -0.090 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)[C@]2(O)CCSC2)CC1 ZINC000834113679 606013931 /nfs/dbraw/zinc/01/39/31/606013931.db2.gz ZLJSFWBMAGWVPP-ZDUSSCGKSA-N -1 0 317.411 -0.344 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCN(C(=O)[O-])[C@@H](C)[C@H]1C ZINC000833883695 606014401 /nfs/dbraw/zinc/01/44/01/606014401.db2.gz PUFGWSJTUJDIEB-VHSXEESVSA-N -1 0 309.388 -0.118 20 0 DBADRM NS(=O)(=O)CCCNC(=O)CCC1CCN(C(=O)[O-])CC1 ZINC000833986290 606018189 /nfs/dbraw/zinc/01/81/89/606018189.db2.gz NHTSGEATBKPBKN-UHFFFAOYSA-N -1 0 321.399 -0.049 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NCC(=O)N2CCOCC2)C1 ZINC000834168593 606023849 /nfs/dbraw/zinc/02/38/49/606023849.db2.gz OZZASEKXKCQPQY-GHMZBOCLSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])N1CCC[C@@H](CNC(=O)NC[C@@]2(O)CCOC2)C1 ZINC000834026512 606025322 /nfs/dbraw/zinc/02/53/22/606025322.db2.gz JQBCSIKHVBFPAO-GWCFXTLKSA-N -1 0 301.343 -0.173 20 0 DBADRM O=C([O-])N1CC[C@H](CCNC(=O)NC[C@@]2(O)CCOC2)C1 ZINC000834036816 606027083 /nfs/dbraw/zinc/02/70/83/606027083.db2.gz FPYIYTLCYWXFDU-GWCFXTLKSA-N -1 0 301.343 -0.173 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NC[C@]1(O)CCOC1 ZINC000834210184 606027948 /nfs/dbraw/zinc/02/79/48/606027948.db2.gz HZPKZBMEDAQQOQ-OPQQBVKSSA-N -1 0 301.343 -0.127 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@H](CC(F)F)NC(=O)[O-])CC1 ZINC000833984292 606036761 /nfs/dbraw/zinc/03/67/61/606036761.db2.gz BJMPLAWWJTZVEF-QMMMGPOBSA-N -1 0 322.312 -0.703 20 0 DBADRM COCC(C)(C)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000833883192 606049591 /nfs/dbraw/zinc/04/95/91/606049591.db2.gz VXJYHUNDQKWGHF-UHFFFAOYSA-N -1 0 301.343 -0.403 20 0 DBADRM NC(=O)C1(CNC(=O)c2cnc(NC(=O)[O-])cn2)CCOCC1 ZINC000833979687 606054466 /nfs/dbraw/zinc/05/44/66/606054466.db2.gz DYCHEVINRLMYLY-UHFFFAOYSA-N -1 0 323.309 -0.422 20 0 DBADRM NC(=O)CN1CCCN(C(=O)c2cnc(NC(=O)[O-])cn2)CC1 ZINC000833985021 606055118 /nfs/dbraw/zinc/05/51/18/606055118.db2.gz MNISZHIMOQLAIL-UHFFFAOYSA-N -1 0 322.325 -0.800 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H](CC(F)F)NC(=O)[O-] ZINC000833838725 606055119 /nfs/dbraw/zinc/05/51/19/606055119.db2.gz PUSCOYLEFYVEHC-RQJHMYQMSA-N -1 0 314.310 -0.077 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000834226905 606060045 /nfs/dbraw/zinc/06/00/45/606060045.db2.gz XGDBJIMQGLKVEE-JTQLQIEISA-N -1 0 314.342 -0.856 20 0 DBADRM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCCC(=O)NC(N)=O ZINC000833824558 606065177 /nfs/dbraw/zinc/06/51/77/606065177.db2.gz FOHICVISGWZKIG-ISVAXAHUSA-N -1 0 314.342 -0.096 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000834128295 606065666 /nfs/dbraw/zinc/06/56/66/606065666.db2.gz AXFRWWPXVJUBAV-RQJHMYQMSA-N -1 0 306.269 -0.486 20 0 DBADRM NC(=O)COCCNC(=O)CCC1CCN(C(=O)[O-])CC1 ZINC000833985223 606071031 /nfs/dbraw/zinc/07/10/31/606071031.db2.gz OZNMHLQNAVVPMQ-UHFFFAOYSA-N -1 0 301.343 -0.225 20 0 DBADRM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCC(=O)NCCO ZINC000833828361 606071113 /nfs/dbraw/zinc/07/11/13/606071113.db2.gz ZZLKIXLYSJHDRS-TVQRCGJNSA-N -1 0 301.343 -0.572 20 0 DBADRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCC(=O)NCCO ZINC000833828360 606071367 /nfs/dbraw/zinc/07/13/67/606071367.db2.gz ZZLKIXLYSJHDRS-RNCFNFMXSA-N -1 0 301.343 -0.572 20 0 DBADRM NC(=O)CNC(=S)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1 ZINC000833985856 606076496 /nfs/dbraw/zinc/07/64/96/606076496.db2.gz YUIGDFCXCNPPQP-YIZRAAEISA-N -1 0 300.384 -0.286 20 0 DBADRM Cn1ccnc1[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000833954356 606083505 /nfs/dbraw/zinc/08/35/05/606083505.db2.gz HSLQVWWUDQAUTJ-VWYCJHECSA-N -1 0 308.338 -0.151 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000834031819 606087073 /nfs/dbraw/zinc/08/70/73/606087073.db2.gz PKWBXTPUGVVBPX-SNVBAGLBSA-N -1 0 320.367 -0.694 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)OCC(=O)N1CCOCC1 ZINC000834136537 606087803 /nfs/dbraw/zinc/08/78/03/606087803.db2.gz CKQLKVYJEZHFEP-ZETCQYMHSA-N -1 0 310.253 -0.320 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000833480744 606092827 /nfs/dbraw/zinc/09/28/27/606092827.db2.gz SAXJMRQWGSPLPE-QWRGUYRKSA-N -1 0 315.370 -0.280 20 0 DBADRM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)CCOC1CN(C(=O)[O-])C1 ZINC000833979911 606098773 /nfs/dbraw/zinc/09/87/73/606098773.db2.gz FGQTYPLNKAHPQD-QWRGUYRKSA-N -1 0 313.354 -0.084 20 0 DBADRM Cn1c(=O)cccc1C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000833940447 606100258 /nfs/dbraw/zinc/10/02/58/606100258.db2.gz MKDKEDFQXQRTDP-UHFFFAOYSA-N -1 0 322.365 -0.199 20 0 DBADRM CNC(=O)[C@H]1CCCCN1C(=O)CCOC1CN(C(=O)[O-])C1 ZINC000833876303 606110574 /nfs/dbraw/zinc/11/05/74/606110574.db2.gz FZAVVMFVGVEJKW-LLVKDONJSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@@H]1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C(C)(C)C1 ZINC000820770152 606140088 /nfs/dbraw/zinc/14/00/88/606140088.db2.gz ZAIKCNKAFGKJSP-QMMMGPOBSA-N -1 0 319.369 -0.111 20 0 DBADRM C[C@H](NS(=O)(=O)Cc1ccccc1-c1nn[nH]n1)C(=O)[O-] ZINC000822000277 606178428 /nfs/dbraw/zinc/17/84/28/606178428.db2.gz DZMXASLLGDKRNT-ZETCQYMHSA-N -1 0 311.323 -0.241 20 0 DBADRM O=C(CNc1ccc(-c2nn[nH]n2)cc1)NCc1n[nH]c(=O)[n-]1 ZINC000823009802 606197355 /nfs/dbraw/zinc/19/73/55/606197355.db2.gz VDQMVQRQCXYZHZ-UHFFFAOYSA-N -1 0 315.297 -0.581 20 0 DBADRM O=C(COc1ccc(-c2nn[nH]n2)cc1)NCc1n[nH]c(=O)[n-]1 ZINC000823037399 606299822 /nfs/dbraw/zinc/29/98/22/606299822.db2.gz XFDKLEHQGOLJCD-UHFFFAOYSA-N -1 0 316.281 -0.614 20 0 DBADRM Cn1cc(-c2nn[nH]n2)cc1C(=O)[N-]S(=O)(=O)CCCF ZINC000822645542 606411620 /nfs/dbraw/zinc/41/16/20/606411620.db2.gz CJYZPKRMGXOVTQ-UHFFFAOYSA-N -1 0 316.318 -0.376 20 0 DBADRM CCC[C@@H]1C[C@H]1Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821034824 606420135 /nfs/dbraw/zinc/42/01/35/606420135.db2.gz UXFXQGRHZSJXNA-HTQZYQBOSA-N -1 0 305.342 -0.135 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCC2(C)CCC2)n(C)c1=O ZINC000822601001 606429190 /nfs/dbraw/zinc/42/91/90/606429190.db2.gz SHIIKBHKVHQUKV-UHFFFAOYSA-N -1 0 305.342 -0.134 20 0 DBADRM COC(=O)[C@H](NC(=O)c1ccc(-c2nn[nH]n2)cn1)C1CC1 ZINC000821640087 606522189 /nfs/dbraw/zinc/52/21/89/606522189.db2.gz AJHGIWPRDSXYTK-SNVBAGLBSA-N -1 0 302.294 -0.057 20 0 DBADRM Cc1nc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)cn1C ZINC000822453415 606709198 /nfs/dbraw/zinc/70/91/98/606709198.db2.gz IIBFIKXJRFCMFG-UHFFFAOYSA-N -1 0 323.342 -0.557 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)cn1 ZINC000822685116 606711770 /nfs/dbraw/zinc/71/17/70/606711770.db2.gz SIUUBYDHDNKXMY-UHFFFAOYSA-N -1 0 309.315 -0.866 20 0 DBADRM CC[C@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000820988871 606725756 /nfs/dbraw/zinc/72/57/56/606725756.db2.gz IILNZKPCLIXIIZ-QMMMGPOBSA-N -1 0 305.342 -0.500 20 0 DBADRM Cc1cc(=O)[nH]c(Cn2nc(C)c(C)c(-c3nnn[n-]3)c2=O)n1 ZINC000822210645 606783274 /nfs/dbraw/zinc/78/32/74/606783274.db2.gz LMDIOUVLKXGTBD-UHFFFAOYSA-N -1 0 314.309 -0.107 20 0 DBADRM CC[C@@](C)(CCO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820853007 606792023 /nfs/dbraw/zinc/79/20/23/606792023.db2.gz IYWYAIMZOHHXAQ-ZDUSSCGKSA-N -1 0 323.357 -0.773 20 0 DBADRM CCC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)cn1C)c1nnn[n-]1 ZINC000821023123 606912204 /nfs/dbraw/zinc/91/22/04/606912204.db2.gz WZWIJOFUPAECLC-MRVPVSSYSA-N -1 0 316.329 -0.011 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]c1ncc(-c2nn[nH]n2)s1 ZINC000822709968 607025761 /nfs/dbraw/zinc/02/57/61/607025761.db2.gz SRCZSPBHVGKAHO-UHFFFAOYSA-N -1 0 312.340 -0.143 20 0 DBADRM Cn1ccc(S(=O)(=O)[N-]c2ncc(-c3nn[nH]n3)s2)n1 ZINC000822688834 607026072 /nfs/dbraw/zinc/02/60/72/607026072.db2.gz ASMVAHJTVASYHD-UHFFFAOYSA-N -1 0 312.340 -0.143 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000387184618 607109728 /nfs/dbraw/zinc/10/97/28/607109728.db2.gz XNZIYBRUEMDOQK-JTQLQIEISA-N -1 0 303.278 -0.208 20 0 DBADRM CCOc1ncccc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821437277 607207232 /nfs/dbraw/zinc/20/72/32/607207232.db2.gz MLKKIHBQZRGBSA-UHFFFAOYSA-N -1 0 315.297 -0.109 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@H]1CC1(Cl)Cl ZINC000823126325 607207756 /nfs/dbraw/zinc/20/77/56/607207756.db2.gz HZHQCGVJEJENIZ-RXMQYKEDSA-N -1 0 317.140 -0.232 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1cccc(F)c1 ZINC000823131104 607207872 /nfs/dbraw/zinc/20/78/72/607207872.db2.gz CCCSOVFFQDVEMY-UHFFFAOYSA-N -1 0 302.273 -0.086 20 0 DBADRM C[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)Cn1cccn1 ZINC000820259912 607208199 /nfs/dbraw/zinc/20/81/99/607208199.db2.gz CMLUKZWRWPMAMX-VIFPVBQESA-N -1 0 316.329 -0.893 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCOC1CCCC1 ZINC000823131102 607209360 /nfs/dbraw/zinc/20/93/60/607209360.db2.gz CAPROHNSUADXSO-UHFFFAOYSA-N -1 0 306.330 -0.466 20 0 DBADRM CN(C)c1ncccc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821590996 607209632 /nfs/dbraw/zinc/20/96/32/607209632.db2.gz PVRREVKPGLOVAG-UHFFFAOYSA-N -1 0 314.313 -0.442 20 0 DBADRM CCOC(=O)CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)C(C)C ZINC000821330879 607212320 /nfs/dbraw/zinc/21/23/20/607212320.db2.gz WTQLNKPWIDQORS-UHFFFAOYSA-N -1 0 322.329 -0.742 20 0 DBADRM CC[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@@H](C)O1 ZINC000820988321 607216069 /nfs/dbraw/zinc/21/60/69/607216069.db2.gz FOMRDTSGFLWAHM-BDAKNGLRSA-N -1 0 306.330 -0.516 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC1(O)CCCCCC1 ZINC000823126055 607218480 /nfs/dbraw/zinc/21/84/80/607218480.db2.gz GQEDVFJTXRDIRF-UHFFFAOYSA-N -1 0 320.357 -0.340 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1CCCC[C@H]1O ZINC000823127048 607219211 /nfs/dbraw/zinc/21/92/11/607219211.db2.gz RIPBQGKBQGNOKQ-DTWKUNHWSA-N -1 0 306.330 -0.875 20 0 DBADRM CC(C)Cn1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cn1 ZINC000820108319 607219837 /nfs/dbraw/zinc/21/98/37/607219837.db2.gz IIUGICMEGJGMSQ-UHFFFAOYSA-N -1 0 316.329 -0.051 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cnn(CC2CC2)c1 ZINC000823135991 607220485 /nfs/dbraw/zinc/22/04/85/607220485.db2.gz DZTHBMVDTRJNEH-UHFFFAOYSA-N -1 0 314.313 -0.297 20 0 DBADRM CO[C@]1(C)C[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1(C)C ZINC000821678349 607221030 /nfs/dbraw/zinc/22/10/30/607221030.db2.gz MRKDVGYYGZCPHI-ISVAXAHUSA-N -1 0 320.357 -0.222 20 0 DBADRM C[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccncc1 ZINC000820260486 607221296 /nfs/dbraw/zinc/22/12/96/607221296.db2.gz HENBTSBDOWQMPQ-VIFPVBQESA-N -1 0 313.325 -0.227 20 0 DBADRM COC(=O)[C@H]1CCCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821655029 607221495 /nfs/dbraw/zinc/22/14/95/607221495.db2.gz CUJSZVKECKNEMM-MRVPVSSYSA-N -1 0 320.313 -0.988 20 0 DBADRM CC(C)OC(=O)[C@@H](C)N(C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820137895 607223633 /nfs/dbraw/zinc/22/36/33/607223633.db2.gz PRVPYJHJSFTXCH-MRVPVSSYSA-N -1 0 322.329 -0.743 20 0 DBADRM CSC[C@@H]1CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821962004 607224988 /nfs/dbraw/zinc/22/49/88/607224988.db2.gz NKPRKBMSSVEPSD-QMMMGPOBSA-N -1 0 308.371 -0.188 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC1(C(F)(F)F)CC1 ZINC000823126342 607240263 /nfs/dbraw/zinc/24/02/63/607240263.db2.gz IKDHDPVKHZUMCW-UHFFFAOYSA-N -1 0 302.220 -0.331 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826449800 607778189 /nfs/dbraw/zinc/77/81/89/607778189.db2.gz KHYCBPZQBKAULW-LURJTMIESA-N -1 0 312.311 -0.957 20 0 DBADRM CN(C[C@@H]1CCC[C@H]1O)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825909011 607862778 /nfs/dbraw/zinc/86/27/78/607862778.db2.gz PRQAJYJUDHKBOS-DTWKUNHWSA-N -1 0 306.330 -0.922 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1)C(=O)[O-] ZINC000824640702 608010683 /nfs/dbraw/zinc/01/06/83/608010683.db2.gz NQRASDLTGNPNTQ-RXMQYKEDSA-N -1 0 315.286 -0.243 20 0 DBADRM O=C([O-])CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000826461024 608010859 /nfs/dbraw/zinc/01/08/59/608010859.db2.gz CCHYCWQRXCYKNG-UHFFFAOYSA-N -1 0 301.259 -0.631 20 0 DBADRM Cc1cccc(S(=O)(=O)NCCC(=O)[O-])c1-c1nn[nH]n1 ZINC000826303227 608010903 /nfs/dbraw/zinc/01/09/03/608010903.db2.gz GDYWKNYOVYMYKD-UHFFFAOYSA-N -1 0 311.323 -0.072 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCCC[C@H]1CCO ZINC000826425104 608054451 /nfs/dbraw/zinc/05/44/51/608054451.db2.gz PYHGOARNJOFKMZ-VIFPVBQESA-N -1 0 306.330 -0.778 20 0 DBADRM CCc1cnc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)o1 ZINC000825736285 608095690 /nfs/dbraw/zinc/09/56/90/608095690.db2.gz YRLLKWCLPXADQD-UHFFFAOYSA-N -1 0 303.282 -0.674 20 0 DBADRM CC(C)n1ccc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)n1 ZINC000824371749 608096308 /nfs/dbraw/zinc/09/63/08/608096308.db2.gz QTRIXGIDPQHGDR-UHFFFAOYSA-N -1 0 316.325 -0.447 20 0 DBADRM COc1ccc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)cn1 ZINC000826208581 608096380 /nfs/dbraw/zinc/09/63/80/608096380.db2.gz QSVKTHPBDPRAFU-UHFFFAOYSA-N -1 0 315.293 -0.821 20 0 DBADRM O=C(Cc1[nH]c(O)nc1O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826421768 608122359 /nfs/dbraw/zinc/12/23/59/608122359.db2.gz YEPGZXNNSZIYSZ-QMMMGPOBSA-N -1 0 319.256 -0.458 20 0 DBADRM O=C(Cc1[nH]c(O)nc1O)Nc1cc(-c2nnn[n-]2)ccc1O ZINC000826421324 608171263 /nfs/dbraw/zinc/17/12/63/608171263.db2.gz CIFCCTGDIPTBFD-ZETCQYMHSA-N -1 0 317.265 -0.891 20 0 DBADRM C[C@H]1C[C@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000824892944 608800932 /nfs/dbraw/zinc/80/09/32/608800932.db2.gz OAFBLQWWDMJFAP-JGVFFNPUSA-N -1 0 321.341 -0.757 20 0 DBADRM O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000826479996 609221865 /nfs/dbraw/zinc/22/18/65/609221865.db2.gz OFISXMHDFDGQBI-BDAKNGLRSA-N -1 0 301.310 -0.312 20 0 DBADRM O=C(OCc1n[nH]c(=O)[n-]1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826467854 609628912 /nfs/dbraw/zinc/62/89/12/609628912.db2.gz OQUGAOKBZQXMBZ-VIFPVBQESA-N -1 0 317.265 -0.533 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC/C=C\C(=O)[O-])C1 ZINC000313804655 665438558 /nfs/dbraw/zinc/43/85/58/665438558.db2.gz GQRBUQLFOARENX-NWPZZWLHSA-N -1 0 320.367 -0.263 20 0 DBADRM CN(C[C@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O)C(=O)C1CC1 ZINC000977234146 665451144 /nfs/dbraw/zinc/45/11/44/665451144.db2.gz OCTMEXBKLMCDMT-SNVBAGLBSA-N -1 0 320.349 -0.431 20 0 DBADRM CN(C[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1CCC1 ZINC000977265914 665455384 /nfs/dbraw/zinc/45/53/84/665455384.db2.gz WQIXBYYBCXJPFJ-SNVBAGLBSA-N -1 0 323.353 -0.451 20 0 DBADRM Cn1ncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CC2(C)C)n1 ZINC000977335647 665458601 /nfs/dbraw/zinc/45/86/01/665458601.db2.gz MOHSSAJNBAYYBR-SECBINFHSA-N -1 0 320.357 -0.721 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ncccn1 ZINC000977388930 665463482 /nfs/dbraw/zinc/46/34/82/665463482.db2.gz JHRPKQWOKSGSLE-SECBINFHSA-N -1 0 317.353 -0.059 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cccnn1 ZINC000977395789 665466065 /nfs/dbraw/zinc/46/60/65/665466065.db2.gz ZPDQOSUDEWKBJY-JTQLQIEISA-N -1 0 317.353 -0.059 20 0 DBADRM CC(=O)N1CC[C@@H]1CN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC000977738806 665498561 /nfs/dbraw/zinc/49/85/61/665498561.db2.gz JLICBWYGBJZSPX-SNVBAGLBSA-N -1 0 303.322 -0.285 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@H]1CCOC1 ZINC000977949361 665507520 /nfs/dbraw/zinc/50/75/20/665507520.db2.gz ZSKXUSPOYLHFES-XWLWVQCSSA-N -1 0 307.354 -0.659 20 0 DBADRM Cn1[nH]c(CN2C[C@@H]3[C@@H](CNC(=O)c4cocn4)[C@@H]3C2)nc1=O ZINC000977972027 665510572 /nfs/dbraw/zinc/51/05/72/665510572.db2.gz VACSNXIOINLSHX-OWUUHHOZSA-N -1 0 318.337 -0.796 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001027580417 665513017 /nfs/dbraw/zinc/51/30/17/665513017.db2.gz WUBHYLSMQSDSLN-BBBLOLIVSA-N -1 0 322.369 -0.946 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cncnc1 ZINC000978053378 665516353 /nfs/dbraw/zinc/51/63/53/665516353.db2.gz XOLGNPOWJCRGBA-RTCCRHLQSA-N -1 0 315.337 -0.592 20 0 DBADRM CC(C)C(=O)N1CC[C@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978068822 665516956 /nfs/dbraw/zinc/51/69/56/665516956.db2.gz GPBKGQRHOIUZEU-QMMMGPOBSA-N -1 0 309.326 -0.388 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978074228 665517534 /nfs/dbraw/zinc/51/75/34/665517534.db2.gz SARGXJYRWCCWBN-IWSPIJDZSA-N -1 0 321.337 -0.388 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)C1CCC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978074862 665517546 /nfs/dbraw/zinc/51/75/46/665517546.db2.gz SXUWUIYXEQRVJD-VIFPVBQESA-N -1 0 321.337 -0.244 20 0 DBADRM CCCC(=O)N1CC[C@@H]1CN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000978120485 665520364 /nfs/dbraw/zinc/52/03/64/665520364.db2.gz CCIMJPZQAFUTQW-SNVBAGLBSA-N -1 0 322.365 -0.041 20 0 DBADRM CCC(=O)N1CC[C@H]1CN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000978124019 665520673 /nfs/dbraw/zinc/52/06/73/665520673.db2.gz PXEVRFKPOINQLT-VIFPVBQESA-N -1 0 308.338 -0.431 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000978150847 665521387 /nfs/dbraw/zinc/52/13/87/665521387.db2.gz FOMAIIHGANYMFI-OPRDCNLKSA-N -1 0 323.353 -0.595 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000314014010 665530132 /nfs/dbraw/zinc/53/01/32/665530132.db2.gz VRDZXXOSJODUMZ-VHSXEESVSA-N -1 0 321.399 -0.322 20 0 DBADRM O=C(N[C@H]1C[C@@H](CNC(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000978479723 665540689 /nfs/dbraw/zinc/54/06/89/665540689.db2.gz UZFXNCHVQUFTBG-WRXNHJIOSA-N -1 0 307.310 -0.683 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1csnn1 ZINC000978535729 665541783 /nfs/dbraw/zinc/54/17/83/665541783.db2.gz QNZJUYPQCJIONH-WHUPJOBBSA-N -1 0 321.366 -0.530 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)c3cnon3)C2)c1[O-] ZINC000978721939 665562630 /nfs/dbraw/zinc/56/26/30/665562630.db2.gz LYQGLJRIPHLDNJ-OCAPTIKFSA-N -1 0 320.309 -0.255 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001027672041 665568788 /nfs/dbraw/zinc/56/87/88/665568788.db2.gz QTSKDXSWEGWMPI-JTQLQIEISA-N -1 0 320.357 -0.775 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ncccn1 ZINC000978866817 665578874 /nfs/dbraw/zinc/57/88/74/665578874.db2.gz LHRPNHCEGGKVNS-OWUUHHOZSA-N -1 0 315.337 -0.592 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1cnccn1 ZINC001027730818 665605305 /nfs/dbraw/zinc/60/53/05/665605305.db2.gz ZQCDGMYZKDPPRZ-VIFPVBQESA-N -1 0 303.326 -0.305 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)C1=COCCO1 ZINC001027738673 665612384 /nfs/dbraw/zinc/61/23/84/665612384.db2.gz BMDSSEHLCHXYLH-VIFPVBQESA-N -1 0 309.326 -0.521 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1ccc(=O)[nH]n1 ZINC001027737504 665613257 /nfs/dbraw/zinc/61/32/57/665613257.db2.gz OXYJWFZDEKIYIT-MRVPVSSYSA-N -1 0 319.325 -0.600 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1COCCO1 ZINC001027766667 665629821 /nfs/dbraw/zinc/62/98/21/665629821.db2.gz UQVNGIUOWBMVAP-VHSXEESVSA-N -1 0 311.342 -0.994 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000979439389 665653521 /nfs/dbraw/zinc/65/35/21/665653521.db2.gz RPGLPACJVPZDNB-XKNYDFJKSA-N -1 0 323.353 -0.644 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000979560787 665670727 /nfs/dbraw/zinc/67/07/27/665670727.db2.gz MAEKSTXRZRYPNG-XHNCKOQMSA-N -1 0 307.310 -0.731 20 0 DBADRM Cn1ncc(C(=O)NC[C@H]2C[C@H](NC(=O)c3cn[nH]n3)C2)c1N ZINC000979670094 665678582 /nfs/dbraw/zinc/67/85/82/665678582.db2.gz VWVVUOVNLARINQ-ZKCHVHJHSA-N -1 0 318.341 -0.941 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1CCNC(=O)C1 ZINC001027827820 665679821 /nfs/dbraw/zinc/67/98/21/665679821.db2.gz ZTLICOHDBMIBGU-VHSXEESVSA-N -1 0 322.369 -0.883 20 0 DBADRM CC[C@H](C(N)=O)N1CCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001027832233 665684133 /nfs/dbraw/zinc/68/41/33/665684133.db2.gz BJOHJIIATZFHAQ-NXEZZACHSA-N -1 0 309.370 -0.118 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2[C@H]2CCN(C)C2=O)c1[O-] ZINC001027833438 665684480 /nfs/dbraw/zinc/68/44/80/665684480.db2.gz QEKSEIOOHGTLHP-QWRGUYRKSA-N -1 0 321.381 -0.151 20 0 DBADRM CC(C)C(=O)N1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001010034862 665689385 /nfs/dbraw/zinc/68/93/85/665689385.db2.gz ZDNFAAORHAWBAC-BDAKNGLRSA-N -1 0 323.353 -0.094 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)c1ccc(=O)n(CCOC)c1 ZINC000739207782 665693527 /nfs/dbraw/zinc/69/35/27/665693527.db2.gz FHEIPURYJYDUIS-UHFFFAOYSA-N -1 0 302.352 -0.036 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCC(NC(=O)C(N)=O)CC2)c1[O-] ZINC000980133524 665723837 /nfs/dbraw/zinc/72/38/37/665723837.db2.gz WCGJLEKGHVOJDY-UHFFFAOYSA-N -1 0 309.326 -0.934 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](CNC(=O)c3cnon3)C2)c1[O-] ZINC000980268933 665743398 /nfs/dbraw/zinc/74/33/98/665743398.db2.gz YVGFEJSUVVTCBM-ZKCHVHJHSA-N -1 0 320.309 -0.255 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000980313563 665747163 /nfs/dbraw/zinc/74/71/63/665747163.db2.gz STXJFWIYSOKZHG-JTQLQIEISA-N -1 0 318.337 -0.043 20 0 DBADRM C[C@H]1C[C@@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)c1cnn(C)c1 ZINC000980361088 665752188 /nfs/dbraw/zinc/75/21/88/665752188.db2.gz WDDADFQGJZYRPC-UWVGGRQHSA-N -1 0 319.369 -0.116 20 0 DBADRM NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000314670630 665764882 /nfs/dbraw/zinc/76/48/82/665764882.db2.gz PVGYAMLIILBLMP-ZJUUUORDSA-N -1 0 319.383 -0.775 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCNC1=O ZINC001027948035 665772443 /nfs/dbraw/zinc/77/24/43/665772443.db2.gz XJSMVNMCNRVILA-NXEZZACHSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC000314727529 665769730 /nfs/dbraw/zinc/76/97/30/665769730.db2.gz GCEVQIZIMQSBQM-MXWKQRLJSA-N -1 0 318.395 -0.020 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCNC1=O ZINC001027948037 665772093 /nfs/dbraw/zinc/77/20/93/665772093.db2.gz XJSMVNMCNRVILA-VHSXEESVSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NC1CCC(NC(=O)C(N)=O)CC1 ZINC000980488848 665766636 /nfs/dbraw/zinc/76/66/36/665766636.db2.gz ONRHQNJIGLWKKJ-UHFFFAOYSA-N -1 0 321.337 -0.867 20 0 DBADRM Cc1ncn(C)c1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027952820 665779064 /nfs/dbraw/zinc/77/90/64/665779064.db2.gz VKHSSWDGLSTHJT-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(CCn1cncn1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980714996 665791201 /nfs/dbraw/zinc/79/12/01/665791201.db2.gz APLVQMLLLBJDLL-UHFFFAOYSA-N -1 0 320.357 -0.774 20 0 DBADRM CCO[C@H]1C[C@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980764057 665797313 /nfs/dbraw/zinc/79/73/13/665797313.db2.gz BCYMJPCTPQGTCV-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM CC[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCS(C)(=O)=O ZINC000843296797 665801507 /nfs/dbraw/zinc/80/15/07/665801507.db2.gz CAEMEXZICSNXTM-RKDXNWHRSA-N -1 0 313.397 -0.312 20 0 DBADRM O=C(c1cc[nH]c(=O)c1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980957523 665813341 /nfs/dbraw/zinc/81/33/41/665813341.db2.gz BSYWXQLHYVLYDO-UHFFFAOYSA-N -1 0 318.337 -0.041 20 0 DBADRM CC[C@H](C(N)=O)N1CCCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC000980979536 665813996 /nfs/dbraw/zinc/81/39/96/665813996.db2.gz MVQKCPZRNVZAQY-SNVBAGLBSA-N -1 0 309.370 -0.164 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN(Cc3cnn(C)n3)CC2)c1[O-] ZINC000980981960 665815355 /nfs/dbraw/zinc/81/53/55/665815355.db2.gz PPKRKCCNYLOMIW-UHFFFAOYSA-N -1 0 319.369 -0.100 20 0 DBADRM O=C(CCn1ccnn1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981050741 665818908 /nfs/dbraw/zinc/81/89/08/665818908.db2.gz WVEWTPHRWGXWGY-UHFFFAOYSA-N -1 0 320.357 -0.774 20 0 DBADRM O=C(CCc1ncc[nH]1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981079366 665818965 /nfs/dbraw/zinc/81/89/65/665818965.db2.gz CAVHXZMLKSBJPZ-UHFFFAOYSA-N -1 0 319.369 -0.100 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001028079191 665841515 /nfs/dbraw/zinc/84/15/15/665841515.db2.gz CIWWVUVETAVVHU-UWVGGRQHSA-N -1 0 322.369 -0.788 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001028079192 665841629 /nfs/dbraw/zinc/84/16/29/665841629.db2.gz CIWWVUVETAVVHU-ZJUUUORDSA-N -1 0 322.369 -0.788 20 0 DBADRM CN1CC[C@@H](C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)C1=O ZINC001028086619 665845178 /nfs/dbraw/zinc/84/51/78/665845178.db2.gz XDWNBOKQBNBXBG-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CN1CC[C@H](C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)C1=O ZINC001028086618 665845384 /nfs/dbraw/zinc/84/53/84/665845384.db2.gz XDWNBOKQBNBXBG-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C([C@H]1CCC(=O)NC1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981523283 665855332 /nfs/dbraw/zinc/85/53/32/665855332.db2.gz NMLLGWCKZUFQII-JTQLQIEISA-N -1 0 322.369 -0.929 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCCN(Cc2cnon2)CC1 ZINC000981555352 665856913 /nfs/dbraw/zinc/85/69/13/665856913.db2.gz PATCYSLYCUEYCG-UHFFFAOYSA-N -1 0 321.297 -0.986 20 0 DBADRM O=C([C@H]1CCOC1)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC000981655763 665864406 /nfs/dbraw/zinc/86/44/06/665864406.db2.gz HJVDJYHECNQWNK-NSHDSACASA-N -1 0 321.381 -0.029 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC000981748263 665873566 /nfs/dbraw/zinc/87/35/66/665873566.db2.gz YBGAEMBBNJEMEB-GFCCVEGCSA-N -1 0 323.397 -0.048 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(C[C@@H]2CCCCO2)CC1 ZINC000949111014 665889943 /nfs/dbraw/zinc/88/99/43/665889943.db2.gz CHUGABCTSJQHHK-JTQLQIEISA-N -1 0 323.353 -0.390 20 0 DBADRM Cc1cc(CN2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)no1 ZINC000949111517 665890157 /nfs/dbraw/zinc/89/01/57/665890157.db2.gz ZIPCSBYFJLKANI-UHFFFAOYSA-N -1 0 320.309 -0.463 20 0 DBADRM O=C(c1cnon1)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC000982076805 665912374 /nfs/dbraw/zinc/91/23/74/665912374.db2.gz MEXAKSDVBREBSD-UHFFFAOYSA-N -1 0 319.325 -0.369 20 0 DBADRM CCOC(=O)CN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC1(F)F ZINC000893698982 665913160 /nfs/dbraw/zinc/91/31/60/665913160.db2.gz WWOBCDFDMROBCO-LURJTMIESA-N -1 0 300.283 -0.503 20 0 DBADRM CCOC(=O)CN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC1(F)F ZINC000893698983 665913519 /nfs/dbraw/zinc/91/35/19/665913519.db2.gz WWOBCDFDMROBCO-ZCFIWIBFSA-N -1 0 300.283 -0.503 20 0 DBADRM O=C(C[C@@H]1CCC(=O)N1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000982189992 665921946 /nfs/dbraw/zinc/92/19/46/665921946.db2.gz GGVBVSUNWYIQMJ-JTQLQIEISA-N -1 0 322.369 -0.787 20 0 DBADRM Cn1cc(S(=O)(=O)NCCC(C)(C)C(=O)[O-])cc1C(N)=O ZINC000261596944 665926356 /nfs/dbraw/zinc/92/63/56/665926356.db2.gz AJXGXNUZMOBLGI-UHFFFAOYSA-N -1 0 317.367 -0.097 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2[C@H]2CCN(C)C2=O)c1[O-] ZINC001038162306 665934048 /nfs/dbraw/zinc/93/40/48/665934048.db2.gz UQFJFWVNQQLKJS-UWVGGRQHSA-N -1 0 307.354 -0.541 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2Cc2ncnn2C)c1[O-] ZINC001038163916 665959823 /nfs/dbraw/zinc/95/98/23/665959823.db2.gz CSXAJHFKKHRVRB-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM CNC(=O)N[N-]S(=O)(=O)c1cccc(C)c1C(=O)OC ZINC000064477117 663812910 /nfs/dbraw/zinc/81/29/10/663812910.db2.gz YDDXXSKWDOQMKV-UHFFFAOYSA-N -1 0 301.324 -0.096 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001020485362 663822480 /nfs/dbraw/zinc/82/24/80/663822480.db2.gz DCYSLDRDIXWVHI-XKNYDFJKSA-N -1 0 323.353 -0.549 20 0 DBADRM C[C@H](NC(=O)c1nccnc1N)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969425258 663829736 /nfs/dbraw/zinc/82/97/36/663829736.db2.gz XJQFLCDIZAROSO-ZETCQYMHSA-N -1 0 318.341 -0.867 20 0 DBADRM Cc1cc(=O)[nH]c(N2CCN(C(=O)[C@]3(C)CCNC3=O)CC2)n1 ZINC000924295627 663835058 /nfs/dbraw/zinc/83/50/58/663835058.db2.gz AFXVSYOZSCRIEN-OAHLLOKOSA-N -1 0 319.365 -0.335 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN([C@H]3CCNC3=O)C2)c1[O-] ZINC000969506189 663838814 /nfs/dbraw/zinc/83/88/14/663838814.db2.gz OLODDYTUICAADU-XCBNKYQSSA-N -1 0 307.354 -0.638 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN([C@H]3CCNC3=O)C2)c1[O-] ZINC000969506190 663838862 /nfs/dbraw/zinc/83/88/62/663838862.db2.gz OLODDYTUICAADU-XVKPBYJWSA-N -1 0 307.354 -0.638 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(Cc3nnnn3C)C2)c1[O-] ZINC000969505857 663838993 /nfs/dbraw/zinc/83/89/93/663838993.db2.gz IBLXJVCCGHFVQF-SSDOTTSWSA-N -1 0 320.357 -0.802 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN([C@@H]3CCCNC3=O)C2)c1[O-] ZINC000969505755 663839035 /nfs/dbraw/zinc/83/90/35/663839035.db2.gz FCOSSIYQDCEJCH-GZMMTYOYSA-N -1 0 321.381 -0.248 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN([C@H]3CCCNC3=O)C2)c1[O-] ZINC000969505756 663839113 /nfs/dbraw/zinc/83/91/13/663839113.db2.gz FCOSSIYQDCEJCH-KCJUWKMLSA-N -1 0 321.381 -0.248 20 0 DBADRM C[C@H](NC(=O)c1cnn(C)c1N)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969533204 663841402 /nfs/dbraw/zinc/84/14/02/663841402.db2.gz WBTFRHDDXQIGGW-ZETCQYMHSA-N -1 0 320.357 -0.924 20 0 DBADRM C[C@H](NC(=O)C1=CCOCC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969547996 663842985 /nfs/dbraw/zinc/84/29/85/663842985.db2.gz GVUGJQYPLFDYDS-VIFPVBQESA-N -1 0 307.354 -0.207 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2C)[C@@H](O)C1 ZINC000969553642 663844547 /nfs/dbraw/zinc/84/45/47/663844547.db2.gz GYILJLSSAJKZQD-WKJUBOCMSA-N -1 0 320.349 -0.552 20 0 DBADRM C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)CCC(=O)NC1 ZINC000969675542 663855883 /nfs/dbraw/zinc/85/58/83/663855883.db2.gz UOSJTUCVGYFBKJ-YMTOWFKASA-N -1 0 322.369 -0.883 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCC[C@@H](N(C)C)C(F)(F)F ZINC000932464063 663894264 /nfs/dbraw/zinc/89/42/64/663894264.db2.gz UAMFZDHBWSHVJK-MRVPVSSYSA-N -1 0 315.292 -0.321 20 0 DBADRM Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)c(=O)[nH]1 ZINC000970096539 663902374 /nfs/dbraw/zinc/90/23/74/663902374.db2.gz ZEZFSEWMSAPCIB-SECBINFHSA-N -1 0 318.337 -0.076 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1COc2c(cccc2OC)C1 ZINC000804675263 663904510 /nfs/dbraw/zinc/90/45/10/663904510.db2.gz PXPYJEAWBIGCJL-LLVKDONJSA-N -1 0 324.333 -0.191 20 0 DBADRM CC(C)COC(=O)[C@H](C)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000288302271 663915102 /nfs/dbraw/zinc/91/51/02/663915102.db2.gz DTMCPCUEUHFSGX-ZETCQYMHSA-N -1 0 302.356 -0.106 20 0 DBADRM O=C(NC[C@@H]1CCN1CCn1cncn1)c1ncccc1O ZINC001038183210 663935736 /nfs/dbraw/zinc/93/57/36/663935736.db2.gz HPAYROGHQHXNKS-NSHDSACASA-N -1 0 302.338 -0.117 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970244597 663952293 /nfs/dbraw/zinc/95/22/93/663952293.db2.gz LGKITYYHLSQCDH-ZETCQYMHSA-N -1 0 305.342 -0.208 20 0 DBADRM CC(=O)N1C[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC000970983741 664088354 /nfs/dbraw/zinc/08/83/54/664088354.db2.gz BOMXEMIYUWZJOV-MWLCHTKSSA-N -1 0 306.322 -0.821 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC000970993668 664089742 /nfs/dbraw/zinc/08/97/42/664089742.db2.gz KIQJNCGBSUMGBJ-VIFPVBQESA-N -1 0 303.326 -0.353 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC000971021797 664095647 /nfs/dbraw/zinc/09/56/47/664095647.db2.gz VJOCGFJHNQCOLO-MRVPVSSYSA-N -1 0 319.325 -0.648 20 0 DBADRM CC(=O)N1C[C@@H]2CCN(C(=O)c3c[n-]n4c3nccc4=O)[C@@H]2C1 ZINC001021687022 664101229 /nfs/dbraw/zinc/10/12/29/664101229.db2.gz XFBOKZWACGTBKC-CMPLNLGQSA-N -1 0 315.333 -0.285 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC000971051566 664101587 /nfs/dbraw/zinc/10/15/87/664101587.db2.gz HQHFAUAHCUNHKV-SNVBAGLBSA-N -1 0 305.342 -0.410 20 0 DBADRM CN(Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)c2cncs2)C1 ZINC000971151586 664117571 /nfs/dbraw/zinc/11/75/71/664117571.db2.gz SZJVDBIGXRAHJJ-VIFPVBQESA-N -1 0 322.394 -0.089 20 0 DBADRM Cc1nn(C)cc1C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000971221807 664125772 /nfs/dbraw/zinc/12/57/72/664125772.db2.gz RDZZQNZNRLGJFW-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC000971228726 664126346 /nfs/dbraw/zinc/12/63/46/664126346.db2.gz GMGCNXUKKRXSLJ-MRVPVSSYSA-N -1 0 318.341 -0.771 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000910034394 674591539 /nfs/dbraw/zinc/59/15/39/674591539.db2.gz WSZUMTGKDMGRCA-VHSXEESVSA-N -1 0 306.384 -0.165 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC000971248899 664130157 /nfs/dbraw/zinc/13/01/57/664130157.db2.gz HEPWJSKUFZSZEA-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM C/C=C(/C)C(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001010957314 664138673 /nfs/dbraw/zinc/13/86/73/664138673.db2.gz QEXUECHNCLWWLA-WMZJFQQLSA-N -1 0 320.349 -0.264 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)Cc3cnnn3C)C2)c1[O-] ZINC000971359330 664147398 /nfs/dbraw/zinc/14/73/98/664147398.db2.gz DQLZRAIPXZQBOZ-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)Cc3ncnn3C)C2)c1[O-] ZINC000971367990 664148787 /nfs/dbraw/zinc/14/87/87/664148787.db2.gz YBVXDXMMIUVJMZ-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1cc(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)cnn1 ZINC000971416803 664163598 /nfs/dbraw/zinc/16/35/98/664163598.db2.gz FZTJWEFNXYNHPB-NSHDSACASA-N -1 0 317.353 -0.045 20 0 DBADRM CC(=O)N1CC(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC000971419860 664163935 /nfs/dbraw/zinc/16/39/35/664163935.db2.gz DTXNBHAAVRVZJG-NSHDSACASA-N -1 0 322.369 -0.979 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC000910334958 674601856 /nfs/dbraw/zinc/60/18/56/674601856.db2.gz WHVOCDNTCLFKBI-LLVKDONJSA-N -1 0 305.334 -0.170 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)Cc2ccnn2C)C1 ZINC000971429029 664167982 /nfs/dbraw/zinc/16/79/82/664167982.db2.gz GNZLTQHFTVCQGQ-LLVKDONJSA-N -1 0 319.369 -0.481 20 0 DBADRM Cc1cccnc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001021941990 664174024 /nfs/dbraw/zinc/17/40/24/664174024.db2.gz TWQJISHXHFUYCL-PHIMTYICSA-N -1 0 316.365 -0.138 20 0 DBADRM Cc1ccnc(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000971438203 664174224 /nfs/dbraw/zinc/17/42/24/664174224.db2.gz FVOKKCGVFRQXIE-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000910195760 674596789 /nfs/dbraw/zinc/59/67/89/674596789.db2.gz NYEGNTUWFITSKD-VIFPVBQESA-N -1 0 304.368 -0.266 20 0 DBADRM Cc1nscc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001021986579 664184440 /nfs/dbraw/zinc/18/44/40/664184440.db2.gz PXZLQIJYHMBYIW-DTORHVGOSA-N -1 0 322.394 -0.076 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000650430170 664190808 /nfs/dbraw/zinc/19/08/08/664190808.db2.gz HHADMKVSFMOHBR-WPRPVWTQSA-N -1 0 306.384 -0.117 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC000971669724 664233951 /nfs/dbraw/zinc/23/39/51/664233951.db2.gz DRYNEJSPQMRFLI-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC000971669723 664233976 /nfs/dbraw/zinc/23/39/76/664233976.db2.gz DRYNEJSPQMRFLI-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSCCS1)C(=O)[O-] ZINC000910286201 674601652 /nfs/dbraw/zinc/60/16/52/674601652.db2.gz ZHEFWWMJFBUFKG-FXQIFTODSA-N -1 0 306.409 -0.071 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC000910334959 674602510 /nfs/dbraw/zinc/60/25/10/674602510.db2.gz WHVOCDNTCLFKBI-NSHDSACASA-N -1 0 305.334 -0.170 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(C(=O)CC(=O)NCC(F)(F)F)CCO1 ZINC000910323340 674603231 /nfs/dbraw/zinc/60/32/31/674603231.db2.gz GUODXHNMAFLYJY-JTQLQIEISA-N -1 0 312.244 -0.243 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1 ZINC000924052807 664246419 /nfs/dbraw/zinc/24/64/19/664246419.db2.gz QOMBGWYDABUCOF-KWBADKCTSA-N -1 0 301.343 -0.310 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC000971750813 664249542 /nfs/dbraw/zinc/24/95/42/664249542.db2.gz SICANTDTQNSPRF-VHSXEESVSA-N -1 0 322.369 -0.788 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC3(F)F)C2)nc1=O ZINC001022259469 664250140 /nfs/dbraw/zinc/25/01/40/664250140.db2.gz NHUNRNGRKIYHLR-HRDYMLBCSA-N -1 0 315.324 -0.110 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001006861819 664258928 /nfs/dbraw/zinc/25/89/28/664258928.db2.gz HMNDSLFCKAUVON-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM CCCC(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001022316325 664259817 /nfs/dbraw/zinc/25/98/17/664259817.db2.gz BCCBFGFXKAYEOX-VHSXEESVSA-N -1 0 323.353 -0.451 20 0 DBADRM COC[C@@H]1COCCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000926276205 664273271 /nfs/dbraw/zinc/27/32/71/664273271.db2.gz IHDYJCKTFMNACQ-QMTHXVAHSA-N -1 0 314.338 -0.817 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC000971841852 664273706 /nfs/dbraw/zinc/27/37/06/664273706.db2.gz UTKAKSJQRNEMFC-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)NCCCOC[C@H]1CCOC1 ZINC000866856931 664306955 /nfs/dbraw/zinc/30/69/55/664306955.db2.gz RDKXFJYEJBXJTR-SNVBAGLBSA-N -1 0 314.429 -0.008 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC000972003445 664311792 /nfs/dbraw/zinc/31/17/92/664311792.db2.gz WWIMDWOEXILAPG-YMTOWFKASA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)[C@H]1CO ZINC000926344016 664312020 /nfs/dbraw/zinc/31/20/20/664312020.db2.gz VMQFJLWGOYEIQW-SYEHKZFSSA-N -1 0 324.377 -0.215 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cc[n+]([O-])cc1 ZINC001038042142 664321923 /nfs/dbraw/zinc/32/19/23/664321923.db2.gz HIPBOKLFMLUVPC-SNVBAGLBSA-N -1 0 304.310 -0.852 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000972064319 664324491 /nfs/dbraw/zinc/32/44/91/664324491.db2.gz RTEVSTDJXQEFAQ-QMMMGPOBSA-N -1 0 306.330 -0.717 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nccc(N3CCOCC3)n2)C1 ZINC000910480933 674611516 /nfs/dbraw/zinc/61/15/16/674611516.db2.gz VPMWCXVDIUJBTE-AWEZNQCLSA-N -1 0 308.338 -0.007 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC000972083128 664327825 /nfs/dbraw/zinc/32/78/25/664327825.db2.gz VMYJNNBJQNSNGK-QMMMGPOBSA-N -1 0 321.341 -0.704 20 0 DBADRM CC[C@@H]1CN(C(=O)COCc2nncn2C)C[C@@]1(F)C(=O)[O-] ZINC000910548386 674617469 /nfs/dbraw/zinc/61/74/69/674617469.db2.gz DCISHGWOAMGTFT-RNCFNFMXSA-N -1 0 314.317 -0.007 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC000972131439 664337242 /nfs/dbraw/zinc/33/72/42/664337242.db2.gz ZMWLPPLXPULABI-NXEZZACHSA-N -1 0 322.369 -0.979 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC000972150167 664340825 /nfs/dbraw/zinc/34/08/25/664340825.db2.gz HVZDWOALJAZYKG-SNVBAGLBSA-N -1 0 306.326 -0.226 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC000910521683 674613190 /nfs/dbraw/zinc/61/31/90/674613190.db2.gz SNQMWZAAQIVGFX-MATHAZKKSA-N -1 0 313.228 -0.619 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CCS[C@H]1C ZINC000910493687 674613633 /nfs/dbraw/zinc/61/36/33/674613633.db2.gz MQNZQVBAYMDUNW-VHSXEESVSA-N -1 0 318.395 -0.054 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CCS[C@@H]1C ZINC000910493689 674613668 /nfs/dbraw/zinc/61/36/68/674613668.db2.gz MQNZQVBAYMDUNW-ZJUUUORDSA-N -1 0 318.395 -0.054 20 0 DBADRM O=C(C1CC1)N1CC[C@]2(C1)CN(Cc1n[nH]c(=O)[n-]1)CCO2 ZINC000972208416 664351679 /nfs/dbraw/zinc/35/16/79/664351679.db2.gz STHPJPNAOZWADZ-CQSZACIVSA-N -1 0 307.354 -0.276 20 0 DBADRM O=C(C1CC1)N1CC[C@@]2(C1)CN(Cc1n[nH]c(=O)[n-]1)CCO2 ZINC000972208413 664352087 /nfs/dbraw/zinc/35/20/87/664352087.db2.gz STHPJPNAOZWADZ-AWEZNQCLSA-N -1 0 307.354 -0.276 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)CN2Cc3ccccc3C2=O)C1 ZINC000910527130 674613892 /nfs/dbraw/zinc/61/38/92/674613892.db2.gz MOVQJBSBMJBMIR-OAHLLOKOSA-N -1 0 304.302 -0.310 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000910496712 674613903 /nfs/dbraw/zinc/61/39/03/674613903.db2.gz NRVCCFIMUPZNGR-IKCGXLOGSA-N -1 0 322.361 -0.152 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000910497846 674614070 /nfs/dbraw/zinc/61/40/70/674614070.db2.gz ROWIDXVQOLQTET-RXSPXGNFSA-N -1 0 322.361 -0.008 20 0 DBADRM C[C@]12CSC[C@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])C2 ZINC000910496948 674614238 /nfs/dbraw/zinc/61/42/38/674614238.db2.gz VCWJCACFHYKPDJ-RNCFNFMXSA-N -1 0 316.379 -0.585 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC000972262977 664358825 /nfs/dbraw/zinc/35/88/25/664358825.db2.gz LWHRSLAQHKTYAQ-OTYXRUKQSA-N -1 0 322.369 -0.788 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC000972270635 664359490 /nfs/dbraw/zinc/35/94/90/664359490.db2.gz CSPMDHPUIGVRKS-SSDOTTSWSA-N -1 0 309.305 -0.281 20 0 DBADRM CCCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000910532604 674615086 /nfs/dbraw/zinc/61/50/86/674615086.db2.gz ZABSXAXPNISSMK-NOZJJQNGSA-N -1 0 316.379 -0.264 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@]3(C2)CN(C[C@H](C)O)CCO3)c1[O-] ZINC000972347000 664371799 /nfs/dbraw/zinc/37/17/99/664371799.db2.gz QXGRLXIUFLRWHA-BONVTDFDSA-N -1 0 324.381 -0.279 20 0 DBADRM O=C(c1ncccc1O)N1CC[C@]2(C1)CN(CCO)CCO2 ZINC000972356000 664374205 /nfs/dbraw/zinc/37/42/05/664374205.db2.gz SQKSNVHVLPBGDM-OAHLLOKOSA-N -1 0 307.350 -0.304 20 0 DBADRM NC(=O)CN1CCO[C@@]2(CCN(C(=O)c3ncccc3O)C2)C1 ZINC000972355194 664374245 /nfs/dbraw/zinc/37/42/45/664374245.db2.gz KBNIQNLDROXBET-HNNXBMFYSA-N -1 0 320.349 -0.811 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)CNS(=O)(=O)CCCOC ZINC000262192178 664396367 /nfs/dbraw/zinc/39/63/67/664396367.db2.gz RFUOQTVMCAEDBQ-UHFFFAOYSA-N -1 0 310.372 -0.735 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2ccnnc2)C1 ZINC000972418404 664396756 /nfs/dbraw/zinc/39/67/56/664396756.db2.gz JRCDAXGOCXQKFH-JTQLQIEISA-N -1 0 303.326 -0.353 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccco3)C2)c1[O-] ZINC001022928527 664410971 /nfs/dbraw/zinc/41/09/71/664410971.db2.gz YYVJAKIJJFPMTP-RKDXNWHRSA-N -1 0 320.305 -0.368 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NC2(C(=O)[O-])CCSCC2)c1=O ZINC000262254131 664421674 /nfs/dbraw/zinc/42/16/74/664421674.db2.gz YALKZULROGFVQM-UHFFFAOYSA-N -1 0 313.335 -0.434 20 0 DBADRM O=C(CN1CSCC1=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC000910579083 674619356 /nfs/dbraw/zinc/61/93/56/674619356.db2.gz CFNYXPXZWRMOJR-IUCAKERBSA-N -1 0 302.352 -0.342 20 0 DBADRM CCCC[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000262265662 664425337 /nfs/dbraw/zinc/42/53/37/664425337.db2.gz HDUMDKHZNIAXII-JTQLQIEISA-N -1 0 321.399 -0.339 20 0 DBADRM Cc1nc(CN[C@H]2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)co1 ZINC001023027518 664427025 /nfs/dbraw/zinc/42/70/25/664427025.db2.gz KEZBPSHOUSKYIG-DTORHVGOSA-N -1 0 322.325 -0.577 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@@]2(C1)CN(Cc1n[nH]c(=O)[n-]1)CCO2 ZINC000972506993 664435190 /nfs/dbraw/zinc/43/51/90/664435190.db2.gz SRPDAFGWJHXOEU-PGUXBMHVSA-N -1 0 321.381 -0.030 20 0 DBADRM C[C@@H]1Oc2c(cccc2C(=O)NC[C@](C)(O)C(=O)[O-])NC1=O ZINC000262331074 664450567 /nfs/dbraw/zinc/45/05/67/664450567.db2.gz AXVUQBMMIVMLBO-WJWGPLDTSA-N -1 0 308.290 -0.029 20 0 DBADRM C[C@@](O)(CNC(=O)c1cn(Cc2ccccc2)nn1)C(=O)[O-] ZINC000262347261 664471263 /nfs/dbraw/zinc/47/12/63/664471263.db2.gz DLEJUKQVOGLPOF-CQSZACIVSA-N -1 0 304.306 -0.108 20 0 DBADRM Cn1cc(C(=O)NC[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001023223037 664473346 /nfs/dbraw/zinc/47/33/46/664473346.db2.gz IJZLQOBQRXJEGY-JTQLQIEISA-N -1 0 319.369 -0.114 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3ccc(C)nn3)C2)c1[O-] ZINC000991276449 674631605 /nfs/dbraw/zinc/63/16/05/674631605.db2.gz OBVZBDBJVZEEEM-UHFFFAOYSA-N -1 0 316.321 -0.223 20 0 DBADRM C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)N(C)C)C[C@H]1CC(=O)[O-] ZINC000910857461 674648950 /nfs/dbraw/zinc/64/89/50/674648950.db2.gz HMCCKWKWDMCUJE-NXEZZACHSA-N -1 0 321.399 -0.706 20 0 DBADRM CNC(=O)NCCNC(=O)CSc1n[n-]c(=S)s1 ZINC000910897231 674653554 /nfs/dbraw/zinc/65/35/54/674653554.db2.gz LBDCEYMEWHHMJX-UHFFFAOYSA-N -1 0 307.426 -0.036 20 0 DBADRM O=C(NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cncnc1 ZINC001023330080 664817521 /nfs/dbraw/zinc/81/75/21/664817521.db2.gz BYQHDASBJRXMBP-JTQLQIEISA-N -1 0 317.353 -0.058 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccco3)C[C@H]2O)c1[O-] ZINC001023411488 664824160 /nfs/dbraw/zinc/82/41/60/664824160.db2.gz COCOGGZKQZDKDD-RKDXNWHRSA-N -1 0 320.305 -0.368 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2O)c1[O-] ZINC001023412058 664824520 /nfs/dbraw/zinc/82/45/20/664824520.db2.gz MEVGZKNRECBQMZ-NXEZZACHSA-N -1 0 319.321 -0.633 20 0 DBADRM CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001023412630 664824524 /nfs/dbraw/zinc/82/45/24/664824524.db2.gz ZCWHIBJJULWOAS-HTQZYQBOSA-N -1 0 314.367 -0.912 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2ccncn2)C1 ZINC000972576082 664830800 /nfs/dbraw/zinc/83/08/00/664830800.db2.gz RERKDFBPYKLSNU-SECBINFHSA-N -1 0 303.326 -0.353 20 0 DBADRM COCC[C@H](NC(=O)c1sccc1-n1cnnn1)C(=O)[O-] ZINC000052784946 664836281 /nfs/dbraw/zinc/83/62/81/664836281.db2.gz PISZDGXOZCGFJX-ZETCQYMHSA-N -1 0 311.323 -0.057 20 0 DBADRM O=C(NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ncccn1 ZINC001023662738 664849006 /nfs/dbraw/zinc/84/90/06/664849006.db2.gz OBBWYBJNNILYTD-JTQLQIEISA-N -1 0 317.353 -0.058 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)c1[O-] ZINC001024101418 664873691 /nfs/dbraw/zinc/87/36/91/664873691.db2.gz WTPNDEVCDJVIHC-NXEZZACHSA-N -1 0 319.321 -0.633 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1C(=O)[O-] ZINC000235339141 664873788 /nfs/dbraw/zinc/87/37/88/664873788.db2.gz SPVDOCPZIPMYDS-OUAUKWLOSA-N -1 0 318.395 -0.163 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC000972863132 664877687 /nfs/dbraw/zinc/87/76/87/664877687.db2.gz WYVURZCMWIUSTP-RKDXNWHRSA-N -1 0 322.369 -0.885 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1CCOC1 ZINC000972847318 664877721 /nfs/dbraw/zinc/87/77/21/664877721.db2.gz VWEAIYHXWXXMMN-VHSXEESVSA-N -1 0 309.370 -0.127 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1C ZINC001011350825 664878891 /nfs/dbraw/zinc/87/88/91/664878891.db2.gz ZFWQLMRGOGXIET-CBAPKCEASA-N -1 0 304.310 -0.843 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000972920928 664893321 /nfs/dbraw/zinc/89/33/21/664893321.db2.gz AAPUVJCUPLYSOZ-XAMCCFCMSA-N -1 0 307.310 -0.684 20 0 DBADRM O=C(N[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@H]1O)c1cn[nH]n1 ZINC001024544629 664895843 /nfs/dbraw/zinc/89/58/43/664895843.db2.gz CZRULIJNWLSFAI-BNPPUKTJSA-N -1 0 319.365 -0.458 20 0 DBADRM O=C(NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001024607390 664903560 /nfs/dbraw/zinc/90/35/60/664903560.db2.gz XODAVYAZLBVVFI-MEWQQHAOSA-N -1 0 321.381 -0.127 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cnn2c1CCC2 ZINC001038320791 664941658 /nfs/dbraw/zinc/94/16/58/664941658.db2.gz BHYKKQUDZZWHQT-VIFPVBQESA-N -1 0 317.353 -0.343 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)C1(C)COC1 ZINC000782604238 664945649 /nfs/dbraw/zinc/94/56/49/664945649.db2.gz PAVOZIIMQVRSGD-VIFPVBQESA-N -1 0 320.367 -0.589 20 0 DBADRM C[C@@H]1[C@H](NC(=O)c2cn[nH]n2)CCN1C(=O)c1cnsn1 ZINC001011531001 664945797 /nfs/dbraw/zinc/94/57/97/664945797.db2.gz XOLRIQVYZASRMK-RNFRBKRXSA-N -1 0 307.339 -0.311 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)Cn3cncn3)C2)c1[O-] ZINC000936147352 664949795 /nfs/dbraw/zinc/94/97/95/664949795.db2.gz RQVXJNULQJAKTO-SECBINFHSA-N -1 0 319.325 -0.954 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@H]3CCNC3=O)CC2(C)C)c1[O-] ZINC000973043646 664951817 /nfs/dbraw/zinc/95/18/17/664951817.db2.gz PLDKPMWPURSCBQ-VHSXEESVSA-N -1 0 321.381 -0.248 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N[C@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000973057706 664956011 /nfs/dbraw/zinc/95/60/11/664956011.db2.gz LVJZZESFPWPDBQ-MGCOHNPYSA-N -1 0 316.321 -0.095 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3cnsn3)C2)c1[O-] ZINC000973064809 664958678 /nfs/dbraw/zinc/95/86/78/664958678.db2.gz USKYQCOGPHMIFU-LJGSYFOKSA-N -1 0 322.350 -0.034 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C2CCC2)C1 ZINC001006494555 664963572 /nfs/dbraw/zinc/96/35/72/664963572.db2.gz PRICGBBNCUAGDY-ZETCQYMHSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCOC3)C2)c1[O-] ZINC000973080360 664964837 /nfs/dbraw/zinc/96/48/37/664964837.db2.gz QJXDNHQORPGSNA-GUBZILKMSA-N -1 0 308.338 -0.163 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)c1[O-] ZINC000973098626 664983196 /nfs/dbraw/zinc/98/31/96/664983196.db2.gz HXEGPLJWPCYMDL-IWSPIJDZSA-N -1 0 321.337 -0.921 20 0 DBADRM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000973136969 664994719 /nfs/dbraw/zinc/99/47/19/664994719.db2.gz GSVOPECFEXQCFQ-XVYDVKMFSA-N -1 0 321.337 -0.294 20 0 DBADRM O=C(C=C1CCC1)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973158093 664998579 /nfs/dbraw/zinc/99/85/79/664998579.db2.gz MKQHKJFUFQFESR-MGCOHNPYSA-N -1 0 321.337 -0.437 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](NC(=O)c3nonc3C)C2)c1[O-] ZINC000973178525 665000930 /nfs/dbraw/zinc/00/09/30/665000930.db2.gz PPUZWOVIBKWHHF-ZKCHVHJHSA-N -1 0 320.309 -0.194 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccn3)C2)c1[O-] ZINC000973181378 665001749 /nfs/dbraw/zinc/00/17/49/665001749.db2.gz PGZFZRCZNHFONO-KYZUINATSA-N -1 0 316.321 -0.095 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3cccnn3)C2)c1[O-] ZINC000973182081 665001757 /nfs/dbraw/zinc/00/17/57/665001757.db2.gz VEMTTZQQKJWMSF-KYZUINATSA-N -1 0 316.321 -0.095 20 0 DBADRM CC1(C)C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973185179 665002596 /nfs/dbraw/zinc/00/25/96/665002596.db2.gz YVNCBGCSXLFYMF-FXQIFTODSA-N -1 0 321.337 -0.294 20 0 DBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)c3cn[nH]n3)C2)C1 ZINC000973327053 665024350 /nfs/dbraw/zinc/02/43/50/665024350.db2.gz WVHIJGNXYYMKMA-ZYUZMQFOSA-N -1 0 320.353 -0.904 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973476751 665039808 /nfs/dbraw/zinc/03/98/08/665039808.db2.gz SPZIVCSOVJEKSK-BZNPZCIMSA-N -1 0 321.337 -0.294 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973490997 665041563 /nfs/dbraw/zinc/04/15/63/665041563.db2.gz FIEIWWKOUGEHOX-JXUBOQSCSA-N -1 0 323.353 -0.501 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(Cc2ncnn2C)C1 ZINC000949900135 665056742 /nfs/dbraw/zinc/05/67/42/665056742.db2.gz JNDZEQWTEMOCDY-UHFFFAOYSA-N -1 0 319.369 -0.101 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(Cc2nncn2C)C1 ZINC000949901194 665057255 /nfs/dbraw/zinc/05/72/55/665057255.db2.gz SLAFOBVLJRKDML-UHFFFAOYSA-N -1 0 319.369 -0.101 20 0 DBADRM CCO[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001025694506 665078384 /nfs/dbraw/zinc/07/83/84/665078384.db2.gz GRNSXBWULULQLW-GOVZDWNOSA-N -1 0 307.354 -0.518 20 0 DBADRM CCC(=O)N[C@@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C12CCC2 ZINC001025829305 665092448 /nfs/dbraw/zinc/09/24/48/665092448.db2.gz KHRATFDJQCNPRZ-BDAKNGLRSA-N -1 0 323.353 -0.357 20 0 DBADRM CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C12CCC2 ZINC001025842457 665092851 /nfs/dbraw/zinc/09/28/51/665092851.db2.gz SMQKCAPMUOWPDK-DTWKUNHWSA-N -1 0 309.326 -0.747 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)c1[O-] ZINC001025901352 665110026 /nfs/dbraw/zinc/11/00/26/665110026.db2.gz CLKIVCQJQSIKPT-HTQZYQBOSA-N -1 0 321.337 -0.934 20 0 DBADRM C[C@H]1OCC[C@@]1(C)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001025925234 665112857 /nfs/dbraw/zinc/11/28/57/665112857.db2.gz XHYMNMGTRMDWKE-ZNXLTMBDSA-N -1 0 321.381 -0.128 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H](OC)c1ccccc1 ZINC000295134422 665124338 /nfs/dbraw/zinc/12/43/38/665124338.db2.gz KDTLWUXILXJYHL-NWDGAFQWSA-N -1 0 317.363 -0.173 20 0 DBADRM C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCO1 ZINC001026125590 665125184 /nfs/dbraw/zinc/12/51/84/665125184.db2.gz GAMKZOCPIJAGTJ-HKLXJQGRSA-N -1 0 321.381 -0.128 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@H]1C[C@]12CCOC2 ZINC001026136496 665126249 /nfs/dbraw/zinc/12/62/49/665126249.db2.gz CWWNLCKDXGPZAO-DDRZYQNWSA-N -1 0 319.365 -0.517 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccnn3C)C2)c1[O-] ZINC000973935634 665145216 /nfs/dbraw/zinc/14/52/16/665145216.db2.gz ACSWTWSBYOFCIE-DTORHVGOSA-N -1 0 318.337 -0.152 20 0 DBADRM C[C@H]1CCCN(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)C1 ZINC000035680379 665147774 /nfs/dbraw/zinc/14/77/74/665147774.db2.gz ZMWHOSFPFCGQOB-NSHDSACASA-N -1 0 305.400 -0.335 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)c1[O-] ZINC000973949846 665148092 /nfs/dbraw/zinc/14/80/92/665148092.db2.gz HXEGPLJWPCYMDL-HRDYMLBCSA-N -1 0 321.337 -0.921 20 0 DBADRM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1)c1ccnn1C ZINC000974185005 665177182 /nfs/dbraw/zinc/17/71/82/665177182.db2.gz VKWMCRHSGGRTSQ-BBBLOLIVSA-N -1 0 317.353 -0.281 20 0 DBADRM O=C(N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cc[nH]c1 ZINC000974221773 665179652 /nfs/dbraw/zinc/17/96/52/665179652.db2.gz ZLCWGHPNEFVXHM-OCAPTIKFSA-N -1 0 318.293 -0.698 20 0 DBADRM CN1C[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)CCC1=O ZINC000974225263 665181220 /nfs/dbraw/zinc/18/12/20/665181220.db2.gz RQEITGXFXSEMND-LPEHRKFASA-N -1 0 320.353 -0.950 20 0 DBADRM Cn1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)cc1=O ZINC000974293998 665187653 /nfs/dbraw/zinc/18/76/53/665187653.db2.gz WMVMJUGXTWIQCS-AOOOYVTPSA-N -1 0 316.321 -0.806 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)CC1=O ZINC000974293786 665187971 /nfs/dbraw/zinc/18/79/71/665187971.db2.gz SGKQSIMPWYFCIX-LPEHRKFASA-N -1 0 320.353 -0.950 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000974297382 665188377 /nfs/dbraw/zinc/18/83/77/665188377.db2.gz LRTKLHMMTSLNFH-WCABBAIRSA-N -1 0 320.353 -0.807 20 0 DBADRM CCCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)nn1 ZINC000974297378 665188400 /nfs/dbraw/zinc/18/84/00/665188400.db2.gz LOMQZHPESZKPRQ-DTORHVGOSA-N -1 0 318.341 -0.503 20 0 DBADRM COCc1nc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)co1 ZINC000974297385 665188423 /nfs/dbraw/zinc/18/84/23/665188423.db2.gz LULLZQKPLIMPNF-OCAPTIKFSA-N -1 0 320.309 -0.370 20 0 DBADRM CC1(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CCC1 ZINC000974348510 665195221 /nfs/dbraw/zinc/19/52/21/665195221.db2.gz TVFGJZPFHCTTSD-DTORHVGOSA-N -1 0 323.353 -0.357 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000974348040 665195420 /nfs/dbraw/zinc/19/54/20/665195420.db2.gz FIEIWWKOUGEHOX-QCLAVDOMSA-N -1 0 323.353 -0.501 20 0 DBADRM CCC(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C(C)(C)C1 ZINC001008370550 665195948 /nfs/dbraw/zinc/19/59/48/665195948.db2.gz JPTKHAXIZHHWBP-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC1(C(=O)[O-])CCC1 ZINC000330363012 665209939 /nfs/dbraw/zinc/20/99/39/665209939.db2.gz GUSWCOKYRUPVEH-UHFFFAOYSA-N -1 0 304.306 -0.003 20 0 DBADRM NC(=O)C(=O)N1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000949970938 665210678 /nfs/dbraw/zinc/21/06/78/665210678.db2.gz AEEAKBSGEQZZFA-UHFFFAOYSA-N -1 0 321.362 -0.474 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](CNCc3nnn(C)n3)C2)c1[O-] ZINC001026785542 665226721 /nfs/dbraw/zinc/22/67/21/665226721.db2.gz OHIMUHADXKCBAB-SECBINFHSA-N -1 0 320.357 -0.801 20 0 DBADRM Cn1nncc1C(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC000974547514 665230926 /nfs/dbraw/zinc/23/09/26/665230926.db2.gz KKNZDBKCYGYNMF-VIFPVBQESA-N -1 0 320.357 -0.721 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC000974705020 665241527 /nfs/dbraw/zinc/24/15/27/665241527.db2.gz UVOKWOKTPMAETC-NXEZZACHSA-N -1 0 321.337 -0.841 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000866894111 665254387 /nfs/dbraw/zinc/25/43/87/665254387.db2.gz WOYUDKIWCXDIQF-ITCWWNTESA-N -1 0 323.440 -0.052 20 0 DBADRM CCOC(=O)CCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)SC ZINC000893422013 665313931 /nfs/dbraw/zinc/31/39/31/665313931.db2.gz KVVUNFHUMSVXIL-QMMMGPOBSA-N -1 0 312.413 -0.016 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC001027283379 665315862 /nfs/dbraw/zinc/31/58/62/665315862.db2.gz KHUYYZIURLFCTM-JTQLQIEISA-N -1 0 323.353 -0.179 20 0 DBADRM O=C(CC1CC1)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000976040130 665320397 /nfs/dbraw/zinc/32/03/97/665320397.db2.gz OGTYAQCXAIIXCS-MBTKJCJQSA-N -1 0 319.321 -0.731 20 0 DBADRM O=C(Cn1cccn1)N[C@@H]1CCCC[C@H]1NC(=O)c1cn[nH]n1 ZINC000976272654 665345648 /nfs/dbraw/zinc/34/56/48/665345648.db2.gz BJVCYYLNKDFKSA-GHMZBOCLSA-N -1 0 317.353 -0.141 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC([C@H](C)NC(=O)c3cnon3)C2)c1[O-] ZINC001006703356 665348784 /nfs/dbraw/zinc/34/87/84/665348784.db2.gz MJXJLMSGUWWVHB-LURJTMIESA-N -1 0 320.309 -0.303 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H](O)C(C)C)C[C@H]32)c1[O-] ZINC000976367834 665352825 /nfs/dbraw/zinc/35/28/25/665352825.db2.gz XIXWOZHFJQKAIZ-FYLLDIAZSA-N -1 0 322.365 -0.373 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N[C@@]1(C(=O)[O-])CCSC1)CC2 ZINC000909357591 665357178 /nfs/dbraw/zinc/35/71/78/665357178.db2.gz NTQZPOGFEVRUMK-OQPBUACISA-N -1 0 310.379 -0.004 20 0 DBADRM c1ccc(Cn2[n-]nnc2=NCc2nnc3n2CCOC3)cc1 ZINC000893459717 665384269 /nfs/dbraw/zinc/38/42/69/665384269.db2.gz BSDGDODPSUEQPK-UHFFFAOYSA-N -1 0 312.337 -0.123 20 0 DBADRM COc1nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]n2)co1 ZINC000976810541 665395268 /nfs/dbraw/zinc/39/52/68/665395268.db2.gz TYWJELPZUNIIAH-MTBHXBHISA-N -1 0 318.293 -0.698 20 0 DBADRM CC(C)=CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000976890528 665403393 /nfs/dbraw/zinc/40/33/93/665403393.db2.gz SWVOPBDVARFLRG-MBTKJCJQSA-N -1 0 319.321 -0.564 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN(c3cnn(C)c3)CC2)O[C@H]1C(=O)[O-] ZINC000911383697 674713793 /nfs/dbraw/zinc/71/37/93/674713793.db2.gz UJZFYMZXZDFHGF-RAIGVLPGSA-N -1 0 322.365 -0.053 20 0 DBADRM CO[C@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])C1CC1 ZINC000911363730 674710006 /nfs/dbraw/zinc/71/00/06/674710006.db2.gz GISPQBYWKOSXNR-ZDUSSCGKSA-N -1 0 300.355 -0.343 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCc2cnc(N(C)C)n2C)O[C@H]1C(=O)[O-] ZINC000911369457 674714913 /nfs/dbraw/zinc/71/49/13/674714913.db2.gz RNWIFFSAHCYOFL-FBIMIBRVSA-N -1 0 310.354 -0.020 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000911448322 674724205 /nfs/dbraw/zinc/72/42/05/674724205.db2.gz UKUYGPUYVBSVJL-KRTXAFLBSA-N -1 0 312.351 -0.225 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@]1(C(F)(F)F)CCCN1 ZINC000911453520 674727660 /nfs/dbraw/zinc/72/76/60/674727660.db2.gz CZIADOAHWWZTBN-JTQLQIEISA-N -1 0 313.276 -0.519 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC000911594210 674741173 /nfs/dbraw/zinc/74/11/73/674741173.db2.gz LELCRMSTWNVPCG-UHFFFAOYSA-N -1 0 318.337 -0.336 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN(c3nccn3C)CC2)O[C@H]1C(=O)[O-] ZINC000911593937 674742116 /nfs/dbraw/zinc/74/21/16/674742116.db2.gz JOEOOWWHZRCBGJ-IJLUTSLNSA-N -1 0 322.365 -0.053 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C ZINC000911742951 674746453 /nfs/dbraw/zinc/74/64/53/674746453.db2.gz BZLUWQJSXITYKG-NXEZZACHSA-N -1 0 306.384 -0.020 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000911742649 674746539 /nfs/dbraw/zinc/74/65/39/674746539.db2.gz LPNFJLBKTHCHKZ-UWVGGRQHSA-N -1 0 306.384 -0.020 20 0 DBADRM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(C)(C)C(=O)[O-])C1 ZINC000911743106 674746758 /nfs/dbraw/zinc/74/67/58/674746758.db2.gz QHCOXZDSHZUDDY-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)[N-]Oc1ccc(F)cc1 ZINC000912261180 674760897 /nfs/dbraw/zinc/76/08/97/674760897.db2.gz CCEMLJQWEXKLAG-UHFFFAOYSA-N -1 0 305.331 -0.026 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001011737484 674762276 /nfs/dbraw/zinc/76/22/76/674762276.db2.gz CLQVDDDZHIVLRO-MRVPVSSYSA-N -1 0 319.321 -0.633 20 0 DBADRM C[C@H]1CC[C@H](C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000991411731 674787281 /nfs/dbraw/zinc/78/72/81/674787281.db2.gz QZOUANZSBQPUJP-YUMQZZPRSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(NC[C@]1(CO)COCCN1)c1c(F)ccc(O)c1F ZINC000913181539 674792346 /nfs/dbraw/zinc/79/23/46/674792346.db2.gz LQGKSFORGIUOEZ-ZDUSSCGKSA-N -1 0 302.277 -0.249 20 0 DBADRM O=C(NC[C@@]1(CO)COCCN1)c1cc(F)c(F)c([O-])c1F ZINC000913183980 674793421 /nfs/dbraw/zinc/79/34/21/674793421.db2.gz WYTLMPGJYACCQR-CYBMUJFWSA-N -1 0 320.267 -0.110 20 0 DBADRM CN1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@@H]1CO ZINC000913545147 674803648 /nfs/dbraw/zinc/80/36/48/674803648.db2.gz VSCYOYFJYUPOFN-MRVPVSSYSA-N -1 0 311.304 -0.422 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001030076132 674818707 /nfs/dbraw/zinc/81/87/07/674818707.db2.gz WVRAGZDQKGOZSX-SKDRFNHKSA-N -1 0 301.350 -0.021 20 0 DBADRM Cc1ccnn1CC(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000991584320 674831287 /nfs/dbraw/zinc/83/12/87/674831287.db2.gz AODNFSDPKACVQS-UHFFFAOYSA-N -1 0 318.337 -0.431 20 0 DBADRM CCN1CC[C@@H](N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)C1=O ZINC001030222035 674846661 /nfs/dbraw/zinc/84/66/61/674846661.db2.gz CWDIVTQRBHHYPD-SNVBAGLBSA-N -1 0 307.354 -0.541 20 0 DBADRM Cc1cc(F)ccc1S(=O)(=O)[N-]NC(=O)C(=O)NC(C)C ZINC000058611839 674855700 /nfs/dbraw/zinc/85/57/00/674855700.db2.gz DGLJEFMPEATISR-UHFFFAOYSA-N -1 0 317.342 -0.032 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCc2n[nH]cc21 ZINC001030314661 674862733 /nfs/dbraw/zinc/86/27/33/674862733.db2.gz XGVITSQDTZKGAA-VIFPVBQESA-N -1 0 317.353 -0.346 20 0 DBADRM CC(C)N1C[C@@H](C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001030387637 674875458 /nfs/dbraw/zinc/87/54/58/674875458.db2.gz AGEKKLSMIFYDTA-VIFPVBQESA-N -1 0 322.369 -0.932 20 0 DBADRM CNC(=O)CN1CC(NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001030491461 674895763 /nfs/dbraw/zinc/89/57/63/674895763.db2.gz IXEBSRDLFPLYGN-UHFFFAOYSA-N -1 0 305.338 -0.780 20 0 DBADRM O=C(NC1CN([C@H]2CCNC2=O)C1)c1cc(=O)[nH]c(C2CC2)n1 ZINC001030491534 674895831 /nfs/dbraw/zinc/89/58/31/674895831.db2.gz LASHAIHCAJJHSO-NSHDSACASA-N -1 0 317.349 -0.638 20 0 DBADRM CC(=O)NCC1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000991833117 674901723 /nfs/dbraw/zinc/90/17/23/674901723.db2.gz QJXONCVLPGFFSA-UHFFFAOYSA-N -1 0 303.322 -0.333 20 0 DBADRM O=C(NC1CC(CNC(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000991837484 674902399 /nfs/dbraw/zinc/90/23/99/674902399.db2.gz UZFXNCHVQUFTBG-UHFFFAOYSA-N -1 0 307.310 -0.683 20 0 DBADRM NC(=O)C1CCC(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001030590713 674908566 /nfs/dbraw/zinc/90/85/66/674908566.db2.gz NLCSTSOVKJLFKJ-UHFFFAOYSA-N -1 0 322.369 -0.898 20 0 DBADRM O=C(NC1CN(Cc2cscn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030615668 674912711 /nfs/dbraw/zinc/91/27/11/674912711.db2.gz SGRLYNCORNQOIV-UHFFFAOYSA-N -1 0 308.323 -0.647 20 0 DBADRM Cc1ncc(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001030616755 674913218 /nfs/dbraw/zinc/91/32/18/674913218.db2.gz HKWSXVPAVZYYIU-UHFFFAOYSA-N -1 0 306.282 -0.807 20 0 DBADRM C[C@@H](c1cnccn1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030616648 674913236 /nfs/dbraw/zinc/91/32/36/674913236.db2.gz CZBXBFKTYLUFSX-ZETCQYMHSA-N -1 0 317.309 -0.752 20 0 DBADRM O=C(NC1CN(CC[C@@H]2CCOC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030616830 674913246 /nfs/dbraw/zinc/91/32/46/674913246.db2.gz LNROOASGBZAQLX-MRVPVSSYSA-N -1 0 309.326 -0.877 20 0 DBADRM O=C(NC1CN(Cc2ccsc2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030618208 674913258 /nfs/dbraw/zinc/91/32/58/674913258.db2.gz BCHLTMKJOZMJER-UHFFFAOYSA-N -1 0 307.335 -0.042 20 0 DBADRM C[C@@H](c1ncccn1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030616990 674913295 /nfs/dbraw/zinc/91/32/95/674913295.db2.gz RKQRACUHSIQPQT-ZETCQYMHSA-N -1 0 317.309 -0.752 20 0 DBADRM O=C(NC1CN(Cc2cncs2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030617219 674913312 /nfs/dbraw/zinc/91/33/12/674913312.db2.gz ZQXRUBIBTXMNBW-UHFFFAOYSA-N -1 0 308.323 -0.647 20 0 DBADRM C[C@H]1CC[C@@H](CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC001030617055 674913352 /nfs/dbraw/zinc/91/33/52/674913352.db2.gz VEMPLWPWAFLEMF-CBAPKCEASA-N -1 0 309.326 -0.736 20 0 DBADRM Cc1cnc(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001030617020 674913437 /nfs/dbraw/zinc/91/34/37/674913437.db2.gz SSUJMSITFFXHKW-UHFFFAOYSA-N -1 0 306.282 -0.807 20 0 DBADRM CCOC1CC(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC001030616998 674913511 /nfs/dbraw/zinc/91/35/11/674913511.db2.gz RTPXIMVBFIADSK-UHFFFAOYSA-N -1 0 323.353 -0.488 20 0 DBADRM CCOc1nc(C(=O)[N-]S(=O)(=O)CCC(=O)OC)co1 ZINC000842356603 674914532 /nfs/dbraw/zinc/91/45/32/674914532.db2.gz UVIXFOGEQRWFST-UHFFFAOYSA-N -1 0 306.296 -0.304 20 0 DBADRM COCc1ccc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001030643867 674917117 /nfs/dbraw/zinc/91/71/17/674917117.db2.gz AVTQEVAJLQCTPF-UHFFFAOYSA-N -1 0 307.310 -0.136 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc2n(n1)CCCO2 ZINC001030659686 674919303 /nfs/dbraw/zinc/91/93/03/674919303.db2.gz GUMIFBZIWZMQCR-UHFFFAOYSA-N -1 0 319.325 -0.897 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000231019765 674920375 /nfs/dbraw/zinc/92/03/75/674920375.db2.gz OXHFJMFFERCRRR-SECBINFHSA-N -1 0 309.388 -0.418 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000231019569 674920498 /nfs/dbraw/zinc/92/04/98/674920498.db2.gz YQTMTKHRCJLPHW-JTQLQIEISA-N -1 0 323.415 -0.028 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000063142523 674920825 /nfs/dbraw/zinc/92/08/25/674920825.db2.gz AYUFXXABMULBBM-QMMMGPOBSA-N -1 0 301.386 -0.454 20 0 DBADRM Cn1c(Cl)ncc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030677350 674921855 /nfs/dbraw/zinc/92/18/55/674921855.db2.gz NKBSBSSIXSXQGP-UHFFFAOYSA-N -1 0 311.733 -0.489 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2cnns2)c1[O-] ZINC000948941779 674927215 /nfs/dbraw/zinc/92/72/15/674927215.db2.gz STUPWBYQSWJYPF-ZETCQYMHSA-N -1 0 322.350 -0.080 20 0 DBADRM O=C(NC1CC(CNC(=O)[C@@H]2CCCCO2)C1)c1cn[nH]n1 ZINC000992033587 674933639 /nfs/dbraw/zinc/93/36/39/674933639.db2.gz WAOSDSSGDFPRHH-CBINBANVSA-N -1 0 307.354 -0.002 20 0 DBADRM Cc1cncc(CC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001030747881 674936684 /nfs/dbraw/zinc/93/66/84/674936684.db2.gz AVHJBFYKTVBPPJ-UHFFFAOYSA-N -1 0 302.338 -0.243 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc(C2CC2)on1 ZINC001030756983 674940258 /nfs/dbraw/zinc/94/02/58/674940258.db2.gz XRNXFOBYUJVLHB-UHFFFAOYSA-N -1 0 304.310 -0.010 20 0 DBADRM CCCc1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001030770314 674946831 /nfs/dbraw/zinc/94/68/31/674946831.db2.gz QQRZCTMKXHYUGE-UHFFFAOYSA-N -1 0 305.342 -0.200 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CC(CNC(=O)c3cn[nH]n3)C2)c1[O-] ZINC000992222759 674975761 /nfs/dbraw/zinc/97/57/61/674975761.db2.gz RIUFUQJXTCQMEV-UHFFFAOYSA-N -1 0 319.325 -0.520 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739839158 674980998 /nfs/dbraw/zinc/98/09/98/674980998.db2.gz WEATYBNXSYDEJX-SNVBAGLBSA-N -1 0 322.383 -0.352 20 0 DBADRM Cc1nnccc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015121028 674990321 /nfs/dbraw/zinc/99/03/21/674990321.db2.gz SAJNWEYVRWXPRF-VIFPVBQESA-N -1 0 303.326 -0.387 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC000913745429 675001762 /nfs/dbraw/zinc/00/17/62/675001762.db2.gz DIXVZQUJMGJFOR-WDZFZDKYSA-N -1 0 308.367 -0.048 20 0 DBADRM O=C(N1CCC(c2nnn[n-]2)CC1)C1(N2CCOCC2)CC1 ZINC000913746027 675002024 /nfs/dbraw/zinc/00/20/24/675002024.db2.gz UESALFNZDFVUPM-UHFFFAOYSA-N -1 0 306.370 -0.230 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007111939 674999934 /nfs/dbraw/zinc/99/99/34/674999934.db2.gz LWJUBUJGLVIMNH-VHSXEESVSA-N -1 0 323.353 -0.456 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1conc1C1CC1 ZINC001030934611 675000980 /nfs/dbraw/zinc/00/09/80/675000980.db2.gz DMHGEMNNBXAHBR-UHFFFAOYSA-N -1 0 304.310 -0.010 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1cccc(C(=O)N(C)C)c1 ZINC000914087778 675019501 /nfs/dbraw/zinc/01/95/01/675019501.db2.gz SJAQHWPAPFGMBK-UHFFFAOYSA-N -1 0 308.338 -0.135 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000753944675 675027232 /nfs/dbraw/zinc/02/72/32/675027232.db2.gz DLZMSYITWDIUER-CBAPKCEASA-N -1 0 318.301 0.000 20 0 DBADRM CO[C@@H](C)CN1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001031064979 675035797 /nfs/dbraw/zinc/03/57/97/675035797.db2.gz MXRPSDMASQOKOE-VIFPVBQESA-N -1 0 305.338 -0.529 20 0 DBADRM COC[C@H](C)N1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001031069297 675036257 /nfs/dbraw/zinc/03/62/57/675036257.db2.gz XGCZVGPTCHMOSP-VIFPVBQESA-N -1 0 305.338 -0.529 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCOCC(F)(F)F ZINC000730522240 675036440 /nfs/dbraw/zinc/03/64/40/675036440.db2.gz OUACIGWSLGFEID-UHFFFAOYSA-N -1 0 319.243 -0.234 20 0 DBADRM CC[C@H](F)CN1CC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001031116701 675041091 /nfs/dbraw/zinc/04/10/91/675041091.db2.gz VGBMPUKZTUITCT-VIFPVBQESA-N -1 0 322.344 -0.380 20 0 DBADRM CC(C)[C@@H]1C(=O)NCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000731189899 675059053 /nfs/dbraw/zinc/05/90/53/675059053.db2.gz CHTCXDNJQOLWOU-LLVKDONJSA-N -1 0 318.337 -0.946 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2[C@@H](C)c2nnnn2C)c1[O-] ZINC001038165267 670569735 /nfs/dbraw/zinc/56/97/35/670569735.db2.gz OZMHEASIXSUVFR-DTWKUNHWSA-N -1 0 320.357 -0.487 20 0 DBADRM CC(F)(F)CCCS(=O)(=O)[N-]C(=O)CS(C)(=O)=O ZINC000893808010 670570852 /nfs/dbraw/zinc/57/08/52/670570852.db2.gz XQPVISMRSVNCIK-UHFFFAOYSA-N -1 0 307.340 -0.088 20 0 DBADRM CC[C@@H](C)C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982464612 670592547 /nfs/dbraw/zinc/59/25/47/670592547.db2.gz DQCUAIPKAXPDDH-BDAKNGLRSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1nc[nH]c1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001028352736 670707803 /nfs/dbraw/zinc/70/78/03/670707803.db2.gz KUUMRATVBWFMLH-VIFPVBQESA-N -1 0 305.342 -0.064 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000937077137 670722866 /nfs/dbraw/zinc/72/28/66/670722866.db2.gz YRXNBEZMDVALNG-FWAPLPHYSA-N -1 0 323.353 -0.285 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc[n+]([O-])cc1 ZINC001028391316 670724186 /nfs/dbraw/zinc/72/41/86/670724186.db2.gz HQOFPDRURONZIM-SNVBAGLBSA-N -1 0 318.337 -0.604 20 0 DBADRM Cc1c(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001028412823 670737748 /nfs/dbraw/zinc/73/77/48/670737748.db2.gz RQEGLCOBPITMBT-SNVBAGLBSA-N -1 0 319.369 -0.196 20 0 DBADRM O=C(NC[C@@H]1CCCCN1C(=O)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC000937149607 670800150 /nfs/dbraw/zinc/80/01/50/670800150.db2.gz XTKLGCPTZLEZQG-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cc(=O)[nH][n-]2)C1 ZINC000732277769 677352689 /nfs/dbraw/zinc/35/26/89/677352689.db2.gz OVOBZSLLGCACMN-NXEZZACHSA-N -1 0 310.354 -0.748 20 0 DBADRM CC(=O)NC[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000982769142 670862062 /nfs/dbraw/zinc/86/20/62/670862062.db2.gz IFACETDBWOGVKZ-SNVBAGLBSA-N -1 0 303.322 -0.379 20 0 DBADRM NC(=O)COc1ccccc1C(=O)[N-]S(=O)(=O)CCCF ZINC000747133606 670867738 /nfs/dbraw/zinc/86/77/38/670867738.db2.gz WUTTZNGJOFNXQT-UHFFFAOYSA-N -1 0 318.326 -0.030 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)c[nH]1 ZINC000726348047 670869800 /nfs/dbraw/zinc/86/98/00/670869800.db2.gz FBQPPQFGHRCRHW-SECBINFHSA-N -1 0 315.351 -0.258 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cn[nH]c(=O)c1 ZINC001028612805 670887451 /nfs/dbraw/zinc/88/74/51/670887451.db2.gz VUOVJZFRMJDSFR-MRVPVSSYSA-N -1 0 319.325 -0.742 20 0 DBADRM COC1CC(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001028617690 670887986 /nfs/dbraw/zinc/88/79/86/670887986.db2.gz PBOCCZHNCIITSC-KPPDAEKUSA-N -1 0 309.370 -0.127 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCN(C2CCC2)CC1)C(=O)[O-] ZINC000927954097 670898139 /nfs/dbraw/zinc/89/81/39/670898139.db2.gz UXMNCGJQOMBOES-LLVKDONJSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983033256 670929946 /nfs/dbraw/zinc/92/99/46/670929946.db2.gz AULAHXFIFICCMH-CIUDSAMLSA-N -1 0 321.337 -0.483 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3cnon3)C2)c1[O-] ZINC000983166101 670974468 /nfs/dbraw/zinc/97/44/68/670974468.db2.gz DUGAXVOUQLCCMR-QMMMGPOBSA-N -1 0 320.309 -0.301 20 0 DBADRM COc1nc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001028716570 670985212 /nfs/dbraw/zinc/98/52/12/670985212.db2.gz BGZXZNLXSMKFHA-MRVPVSSYSA-N -1 0 322.325 -0.241 20 0 DBADRM Cn1c(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c[nH]c1=O ZINC001028738737 671015121 /nfs/dbraw/zinc/01/51/21/671015121.db2.gz ZLPGAUUCJBBQTP-QMMMGPOBSA-N -1 0 321.341 -0.799 20 0 DBADRM CCn1cc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001028897439 671093182 /nfs/dbraw/zinc/09/31/82/671093182.db2.gz MAQAFGVMIWWQHL-VIFPVBQESA-N -1 0 320.357 -0.626 20 0 DBADRM NC(=O)CN1CC[C@@H](CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001028926900 671100091 /nfs/dbraw/zinc/10/00/91/671100091.db2.gz RXSUNNRKUJPJAI-QMMMGPOBSA-N -1 0 319.321 -0.535 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc(=O)[nH]c1 ZINC001028968943 671128958 /nfs/dbraw/zinc/12/89/58/671128958.db2.gz IPLMSQBNSGKXKJ-SECBINFHSA-N -1 0 318.337 -0.137 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCC[C@H](NC(=O)C2CC2)C1 ZINC000983407896 671131681 /nfs/dbraw/zinc/13/16/81/671131681.db2.gz QXGHQMMKRDAWCW-ZJUUUORDSA-N -1 0 323.353 -0.357 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](CNCc3nnn(C)n3)C2)c1[O-] ZINC000983480740 671164559 /nfs/dbraw/zinc/16/45/59/671164559.db2.gz IGVUIBCPIHJEJB-KYZUINATSA-N -1 0 320.357 -0.755 20 0 DBADRM Cc1nc[nH]c1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001029025931 671171874 /nfs/dbraw/zinc/17/18/74/671171874.db2.gz JTGKNJSFCNYGCX-SECBINFHSA-N -1 0 305.342 -0.206 20 0 DBADRM CCC(=O)N1CCC[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983721806 671249169 /nfs/dbraw/zinc/24/91/69/671249169.db2.gz LOICYTHKQIMERT-MRVPVSSYSA-N -1 0 309.326 -0.244 20 0 DBADRM CCC(=O)N1CCC[C@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000983725497 671251614 /nfs/dbraw/zinc/25/16/14/671251614.db2.gz LTRPPCRWBYDTFV-JTQLQIEISA-N -1 0 322.365 -0.041 20 0 DBADRM CC(=O)N1CCC[C@@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000983732930 671252528 /nfs/dbraw/zinc/25/25/28/671252528.db2.gz SBHCUWHELGTFSG-SNVBAGLBSA-N -1 0 308.338 -0.431 20 0 DBADRM O=C(c1cnsn1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029226077 671278157 /nfs/dbraw/zinc/27/81/57/671278157.db2.gz SXODDIZQCHOPNZ-OCAPTIKFSA-N -1 0 321.366 -0.149 20 0 DBADRM Cn1ncc(C(=O)OCCOCC[N-]C(=O)C(F)(F)F)n1 ZINC000793189244 671278191 /nfs/dbraw/zinc/27/81/91/671278191.db2.gz GPKLSFAKCNKCSU-UHFFFAOYSA-N -1 0 310.232 -0.333 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)[C@@](C)(O)C1CC1 ZINC000909426230 671283418 /nfs/dbraw/zinc/28/34/18/671283418.db2.gz GGNFKYVTCQTTBI-BMIGLBTASA-N -1 0 312.366 -0.071 20 0 DBADRM Cc1ccn(CC(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000909433932 671288946 /nfs/dbraw/zinc/28/89/46/671288946.db2.gz TUHALNIPMBIQTG-LBPRGKRZSA-N -1 0 322.365 -0.027 20 0 DBADRM CCCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CCOC ZINC000732524178 677363973 /nfs/dbraw/zinc/36/39/73/677363973.db2.gz QSSPZVOKPKXCDU-SNVBAGLBSA-N -1 0 306.384 -0.130 20 0 DBADRM O=C([O-])CC1CCN(C(=O)CN2CCCS2(=O)=O)CC1 ZINC000262123461 671306917 /nfs/dbraw/zinc/30/69/17/671306917.db2.gz LOOAFPFRXIBYRP-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000320720927 671314571 /nfs/dbraw/zinc/31/45/71/671314571.db2.gz CQQNSZPKXQJVPF-UHFFFAOYSA-N -1 0 321.253 -0.836 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H](C)CCC(=O)[O-] ZINC000262140607 671317118 /nfs/dbraw/zinc/31/71/18/671317118.db2.gz LYTCNFGVVPTQAP-VIFPVBQESA-N -1 0 310.372 -0.688 20 0 DBADRM CC(C)C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001012309128 671318161 /nfs/dbraw/zinc/31/81/61/671318161.db2.gz NKOGUUVVBONKRW-YUMQZZPRSA-N -1 0 309.326 -0.342 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N(CCC(=O)[O-])C(C)C ZINC000262183833 671338590 /nfs/dbraw/zinc/33/85/90/671338590.db2.gz QIHPSXXGUBZQMR-UHFFFAOYSA-N -1 0 324.399 -0.346 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@H](C)CC(=O)[O-] ZINC000262206240 671344290 /nfs/dbraw/zinc/34/42/90/671344290.db2.gz KCENRYMFWIAUFQ-JTQLQIEISA-N -1 0 324.399 -0.442 20 0 DBADRM O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029430939 671349426 /nfs/dbraw/zinc/34/94/26/671349426.db2.gz PZIHCOJRBXRQIQ-RNFDROQYSA-N -1 0 319.365 -0.422 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000732524144 677363844 /nfs/dbraw/zinc/36/38/44/677363844.db2.gz PHSYMXSYWNSYKR-MRVPVSSYSA-N -1 0 304.324 -0.510 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@H](c2ccnn2C)C1 ZINC000895570844 671358771 /nfs/dbraw/zinc/35/87/71/671358771.db2.gz RABJMBJTSUJIIE-NSHDSACASA-N -1 0 311.342 -0.429 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCOC[C@H]1C[C@H]1CCCO1 ZINC000896703421 671422819 /nfs/dbraw/zinc/42/28/19/671422819.db2.gz XFRUZQGWYAGMIJ-GHMZBOCLSA-N -1 0 301.343 -0.357 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000262320668 671430933 /nfs/dbraw/zinc/43/09/33/671430933.db2.gz QZPPDSRNLYSEBZ-GFCCVEGCSA-N -1 0 321.333 -0.429 20 0 DBADRM CC(C)C(=O)N1CC([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006496055 671442505 /nfs/dbraw/zinc/44/25/05/671442505.db2.gz UYJOEWDDNCCNGW-SSDOTTSWSA-N -1 0 309.326 -0.485 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2cn[nH]n2)CN1C(=O)c1cn(C)cn1 ZINC001012478803 671443050 /nfs/dbraw/zinc/44/30/50/671443050.db2.gz KDWKYPDJPWTZHV-IUCAKERBSA-N -1 0 303.326 -0.429 20 0 DBADRM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262387171 671445981 /nfs/dbraw/zinc/44/59/81/671445981.db2.gz LMVSJRMWZXZCPR-MWODSPESSA-N -1 0 318.395 -0.114 20 0 DBADRM Cn1ccnc1[C@](O)(CCN=c1nn[n-]n1C)C(F)(F)F ZINC000728294041 671451122 /nfs/dbraw/zinc/45/11/22/671451122.db2.gz WPLQWOAIBGEFCP-SECBINFHSA-N -1 0 305.264 -0.382 20 0 DBADRM C[C@@](O)(CNC(=O)CNC(=O)NC1CCCCC1)C(=O)[O-] ZINC000262433843 671454669 /nfs/dbraw/zinc/45/46/69/671454669.db2.gz SUHPRMIIZYAFTI-CYBMUJFWSA-N -1 0 301.343 -0.430 20 0 DBADRM CCC(CC)N1C[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])CC1=O ZINC000262472740 671458628 /nfs/dbraw/zinc/45/86/28/671458628.db2.gz HBLMXJUBYWPKCV-LKFCYVNXSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000728519591 671458740 /nfs/dbraw/zinc/45/87/40/671458740.db2.gz LWVHBUJIZASSJM-YPMHNXCESA-N -1 0 313.354 -0.312 20 0 DBADRM O=C1C[C@@H]([N-]S(=O)(=O)N=S2(=O)CCCC2)CN1C1CC1 ZINC000866914068 671466291 /nfs/dbraw/zinc/46/62/91/671466291.db2.gz AEJNLUZSRLRWEF-SECBINFHSA-N -1 0 321.424 -0.154 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1cscn1)c1n[nH]c(=O)[n-]c1=O ZINC001038460373 671468091 /nfs/dbraw/zinc/46/80/91/671468091.db2.gz VEEXXLJNMWEPRF-MRVPVSSYSA-N -1 0 322.350 -0.256 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC([N@@H+](C)[C@@H](C)C(N)=O)CC2)c1[O-] ZINC000985382611 671469709 /nfs/dbraw/zinc/46/97/09/671469709.db2.gz CBQSSNSFHVAAIL-VIFPVBQESA-N -1 0 309.370 -0.166 20 0 DBADRM Cn1cc(C(=O)[N-]N2CC(=O)N(C)C2=O)c(Br)n1 ZINC000897283647 671472695 /nfs/dbraw/zinc/47/26/95/671472695.db2.gz HTDZOXCUCMEKQG-UHFFFAOYSA-N -1 0 316.115 -0.279 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)on1 ZINC000797300017 671499234 /nfs/dbraw/zinc/49/92/34/671499234.db2.gz AAYJFVDQVPQCEH-YFKPBYRVSA-N -1 0 320.279 -0.918 20 0 DBADRM CC(C)(F)C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000937600164 671499887 /nfs/dbraw/zinc/49/98/87/671499887.db2.gz SLQHYJBTXQDRKM-ZETCQYMHSA-N -1 0 315.305 -0.846 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)NC[C@](C)(O)C(=O)[O-])C1=O ZINC000262563566 671505852 /nfs/dbraw/zinc/50/58/52/671505852.db2.gz XDKZQECYXFTKAU-LBPRGKRZSA-N -1 0 315.326 -0.951 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)Cn1nnc2c1CCCC2 ZINC000909618942 671505862 /nfs/dbraw/zinc/50/58/62/671505862.db2.gz CDPGSJPTJCOHIP-JTQLQIEISA-N -1 0 308.338 -0.141 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)Cn1nnc2c1CCCC2 ZINC000909618943 671506199 /nfs/dbraw/zinc/50/61/99/671506199.db2.gz CDPGSJPTJCOHIP-SNVBAGLBSA-N -1 0 308.338 -0.141 20 0 DBADRM CC(F)(F)C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000937605053 671509662 /nfs/dbraw/zinc/50/96/62/671509662.db2.gz AWAVUKNRPAVPNN-LURJTMIESA-N -1 0 319.268 -0.938 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000262642475 671529368 /nfs/dbraw/zinc/52/93/68/671529368.db2.gz HQHQMHMDGNIDQQ-SNVBAGLBSA-N -1 0 324.399 -0.442 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NCc3nnn(C)n3)[C@@H]2C)c1[O-] ZINC000986156319 671568774 /nfs/dbraw/zinc/56/87/74/671568774.db2.gz FZAGOXOCOWZRFP-DTWKUNHWSA-N -1 0 320.357 -0.660 20 0 DBADRM C[C@@H]1[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CCN1C(=O)c1ncn(C)n1 ZINC000986250299 671579089 /nfs/dbraw/zinc/57/90/89/671579089.db2.gz IKVAUPNIAYLINF-HTQZYQBOSA-N -1 0 306.330 -0.968 20 0 DBADRM O=C(CN1CCCS1(=O)=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000262772792 671579209 /nfs/dbraw/zinc/57/92/09/671579209.db2.gz LMKJDSGRNLNDHR-GXSJLCMTSA-N -1 0 320.367 -0.982 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)F ZINC000798828578 671608615 /nfs/dbraw/zinc/60/86/15/671608615.db2.gz UUBISJGNRQXCDL-MRVPVSSYSA-N -1 0 316.326 -0.955 20 0 DBADRM CC(=O)N1CCC([C@H](C)NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000986704178 671613940 /nfs/dbraw/zinc/61/39/40/671613940.db2.gz MELIJKUYMDGNDA-VIFPVBQESA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)N1CCCCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000986804398 671621607 /nfs/dbraw/zinc/62/16/07/671621607.db2.gz XSEOZZUOSYFRDT-SNVBAGLBSA-N -1 0 311.342 -0.403 20 0 DBADRM CC(=O)N[C@H](C)C1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000986935574 671626072 /nfs/dbraw/zinc/62/60/72/671626072.db2.gz ARJHHVZYFCVFAQ-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N[C@H](C)C1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000986949054 671627507 /nfs/dbraw/zinc/62/75/07/671627507.db2.gz WCEACKXVSNKYGM-SECBINFHSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001013493781 671627623 /nfs/dbraw/zinc/62/76/23/671627623.db2.gz WRXKIMLKEDKGTA-DTWKUNHWSA-N -1 0 311.342 -0.549 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCSC)CC1 ZINC000729077020 671630296 /nfs/dbraw/zinc/63/02/96/671630296.db2.gz PYTVBIFVVIEOFI-UHFFFAOYSA-N -1 0 324.424 -0.015 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000729096489 671634008 /nfs/dbraw/zinc/63/40/08/671634008.db2.gz JWIBENFMFFAVII-NXEZZACHSA-N -1 0 306.384 -0.084 20 0 DBADRM CC(=O)N[C@H]1CCCCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000987093519 671645341 /nfs/dbraw/zinc/64/53/41/671645341.db2.gz BYBMZAZTUKSACF-VIFPVBQESA-N -1 0 309.326 -0.196 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC000987172709 671652941 /nfs/dbraw/zinc/65/29/41/671652941.db2.gz XWHVXSHVFFINJJ-BDAKNGLRSA-N -1 0 323.353 -0.269 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2cccs2)C1 ZINC000170313177 671662239 /nfs/dbraw/zinc/66/22/39/671662239.db2.gz DZGKYSPGLYCKTL-MRVPVSSYSA-N -1 0 318.376 -0.041 20 0 DBADRM C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cc1ncc[nH]1 ZINC000987261634 671666415 /nfs/dbraw/zinc/66/64/15/671666415.db2.gz SIAVBAAALBMQLQ-UWVGGRQHSA-N -1 0 319.369 -0.847 20 0 DBADRM C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000987352517 671678100 /nfs/dbraw/zinc/67/81/00/671678100.db2.gz MNPLKQCFPKIUBP-HTQZYQBOSA-N -1 0 319.321 -0.394 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC000263299709 671680308 /nfs/dbraw/zinc/68/03/08/671680308.db2.gz GKRTVWRKKBOBRB-RKDXNWHRSA-N -1 0 306.384 -0.117 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C)c1[O-] ZINC000987608820 671702288 /nfs/dbraw/zinc/70/22/88/671702288.db2.gz RVYXHCWDJFFWLR-SFYZADRCSA-N -1 0 319.325 -0.425 20 0 DBADRM CC(C)C(=O)N1CC[C@H](CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000987754880 671714850 /nfs/dbraw/zinc/71/48/50/671714850.db2.gz KBHMVPQJTYEKOA-SECBINFHSA-N -1 0 323.353 -0.141 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000321685362 671738344 /nfs/dbraw/zinc/73/83/44/671738344.db2.gz USFZFKRCXYIVGP-MRVPVSSYSA-N -1 0 323.353 -0.090 20 0 DBADRM C[C@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)Cc1cc[nH]n1 ZINC000988447670 671802512 /nfs/dbraw/zinc/80/25/12/671802512.db2.gz KFLODTVNSXKVIV-WCBMZHEXSA-N -1 0 305.342 -0.445 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NCc3nnn(C)n3)C[C@@H]2C)c1[O-] ZINC000988661443 671831968 /nfs/dbraw/zinc/83/19/68/671831968.db2.gz IQJPALCIIYYMNP-IONNQARKSA-N -1 0 320.357 -0.660 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000937791716 671836783 /nfs/dbraw/zinc/83/67/83/671836783.db2.gz ZQKWYWKVFNSWOZ-CBAPKCEASA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000937791810 671836852 /nfs/dbraw/zinc/83/68/52/671836852.db2.gz IFBPMPLTNSXWHO-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCO3)C2)c1[O-] ZINC000937833059 671840152 /nfs/dbraw/zinc/84/01/52/671840152.db2.gz WGYFRJZWTQWQLS-UWVGGRQHSA-N -1 0 308.338 -0.067 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cn[nH]c3)C2)c1[O-] ZINC000937831913 671840303 /nfs/dbraw/zinc/84/03/03/671840303.db2.gz MDDRLMUYDZULMK-VIFPVBQESA-N -1 0 304.310 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3ccnn3C)C2)c1[O-] ZINC000937831304 671840326 /nfs/dbraw/zinc/84/03/26/671840326.db2.gz GPBILKACGLCPFR-VIFPVBQESA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cccnn3)C2)c1[O-] ZINC000937834747 671840347 /nfs/dbraw/zinc/84/03/47/671840347.db2.gz CYZDCANRFKSHKF-VIFPVBQESA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3n[nH]cc3F)C2)c1[O-] ZINC000937836491 671840630 /nfs/dbraw/zinc/84/06/30/671840630.db2.gz QELGKZINDYKSDT-ZETCQYMHSA-N -1 0 322.300 -0.070 20 0 DBADRM COC(=O)[C@H]1COCCN1S(=O)(=O)c1ccccc1[O-] ZINC000163461973 671854570 /nfs/dbraw/zinc/85/45/70/671854570.db2.gz MKTYNBXSPDEIEX-SECBINFHSA-N -1 0 301.320 -0.045 20 0 DBADRM CC1(C(=O)N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000938080890 671867956 /nfs/dbraw/zinc/86/79/56/671867956.db2.gz ZKMJUWBPESTOQT-QMMMGPOBSA-N -1 0 309.326 -0.794 20 0 DBADRM CCOc1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cn1 ZINC000263466008 671877796 /nfs/dbraw/zinc/87/77/96/671877796.db2.gz GGMKVPQXROOZGZ-LLVKDONJSA-N -1 0 304.324 -0.406 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC000989113917 671879359 /nfs/dbraw/zinc/87/93/59/671879359.db2.gz MNKZDGLMJLKACW-CNTVWIKJSA-N -1 0 321.337 -0.032 20 0 DBADRM C[C@H]1C[C@H](NCc2cnon2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989114349 671879585 /nfs/dbraw/zinc/87/95/85/671879585.db2.gz XMKVQNAVMACXQN-BQBZGAKWSA-N -1 0 321.297 -0.941 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC000989325570 672481698 /nfs/dbraw/zinc/48/16/98/672481698.db2.gz HJNPRQZCXAUOTP-JXUBOQSCSA-N -1 0 323.353 -0.549 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000729885666 672496532 /nfs/dbraw/zinc/49/65/32/672496532.db2.gz GJFYKRKCZLAKTQ-UHFFFAOYSA-N -1 0 316.383 -0.242 20 0 DBADRM NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2cocn2)cc1 ZINC000729893061 672496819 /nfs/dbraw/zinc/49/68/19/672496819.db2.gz WELRGQSKHQIBCR-UHFFFAOYSA-N -1 0 324.318 -0.038 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC000729912652 672497724 /nfs/dbraw/zinc/49/77/24/672497724.db2.gz FPVWJOFONJMBFN-UHFFFAOYSA-N -1 0 305.400 -0.006 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)N(C)C(C)C)C1 ZINC000729911701 672497864 /nfs/dbraw/zinc/49/78/64/672497864.db2.gz BXFZUSJAGZGNPF-NSHDSACASA-N -1 0 305.400 -0.054 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)Cc1nc2ncccn2n1 ZINC000729913708 672498359 /nfs/dbraw/zinc/49/83/59/672498359.db2.gz FDDPQYIOJZPTLN-UHFFFAOYSA-N -1 0 312.355 -0.632 20 0 DBADRM C[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)c1n[nH]cc1F ZINC000989416548 672500854 /nfs/dbraw/zinc/50/08/54/672500854.db2.gz CEMFKKWJJCVLMH-BQBZGAKWSA-N -1 0 309.305 -0.235 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014396556 672559257 /nfs/dbraw/zinc/55/92/57/672559257.db2.gz UUVOGYDEWANSDI-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM C[C@H]1C[C@@H](NCc2ccon2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000989717432 672589589 /nfs/dbraw/zinc/58/95/89/672589589.db2.gz FLMVDIHRXNCCEW-WCBMZHEXSA-N -1 0 322.325 -0.544 20 0 DBADRM O=C(CC1CC1)NC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000990048189 672636041 /nfs/dbraw/zinc/63/60/41/672636041.db2.gz FLQWNODOBHRVOB-UHFFFAOYSA-N -1 0 315.333 -0.237 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)c2cccs2)C1 ZINC000990113858 672649136 /nfs/dbraw/zinc/64/91/36/672649136.db2.gz DALMTWMAUHNBHR-UHFFFAOYSA-N -1 0 323.334 -0.608 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3ccc(=O)[nH]n3)C2)c1[O-] ZINC000990146869 672660063 /nfs/dbraw/zinc/66/00/63/672660063.db2.gz CFJJPDCFWVDXJC-UHFFFAOYSA-N -1 0 318.293 -0.826 20 0 DBADRM Cc1ccc(C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC000990155843 672661797 /nfs/dbraw/zinc/66/17/97/672661797.db2.gz KTNHJFQCEGUMMB-UHFFFAOYSA-N -1 0 321.293 -0.768 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccsc1 ZINC000990176644 672667867 /nfs/dbraw/zinc/66/78/67/672667867.db2.gz ZZMORMXTVWHLCQ-UHFFFAOYSA-N -1 0 321.318 -0.401 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]23CCC[C@@H]2N(CC(N)=O)CC3)c1[O-] ZINC000990194120 672672526 /nfs/dbraw/zinc/67/25/26/672672526.db2.gz PMJOLYYHBCGREX-XPTSAGLGSA-N -1 0 307.354 -0.364 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000916784287 677424387 /nfs/dbraw/zinc/42/43/87/677424387.db2.gz JNASZZZJQOZIAL-MRVPVSSYSA-N -1 0 316.383 -0.243 20 0 DBADRM CC(C)c1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001031188783 677339829 /nfs/dbraw/zinc/33/98/29/677339829.db2.gz BSKMXFABEHMNPP-UHFFFAOYSA-N -1 0 319.369 -0.019 20 0 DBADRM NC(=O)C1(C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC000731729610 677345241 /nfs/dbraw/zinc/34/52/41/677345241.db2.gz RKBFCQLGHWWGJT-UHFFFAOYSA-N -1 0 323.330 -0.183 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000731871769 677346375 /nfs/dbraw/zinc/34/63/75/677346375.db2.gz NCOLCENNAVCQHI-UHFFFAOYSA-N -1 0 324.362 -0.571 20 0 DBADRM C[C@@H]1CN(c2ccc(CNC(=O)c3cc(=O)[nH][n-]3)cn2)CCO1 ZINC000731869917 677346386 /nfs/dbraw/zinc/34/63/86/677346386.db2.gz QZWZQKGQJDOEAN-SNVBAGLBSA-N -1 0 317.349 -0.201 20 0 DBADRM COc1ccc(C(=O)NCCNC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000731895925 677346939 /nfs/dbraw/zinc/34/69/39/677346939.db2.gz ALZIXWHNOMYNDM-UHFFFAOYSA-N -1 0 304.306 -0.583 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(OC)cc1OC ZINC000731921259 677347762 /nfs/dbraw/zinc/34/77/62/677347762.db2.gz QTJMMJCVTCQHHK-UHFFFAOYSA-N -1 0 317.319 -0.064 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCCOC ZINC000731918577 677347774 /nfs/dbraw/zinc/34/77/74/677347774.db2.gz HVWZETLHTFTMMJ-SNVBAGLBSA-N -1 0 322.383 -0.199 20 0 DBADRM CNC(=O)CN1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H]1C ZINC000993214968 677350187 /nfs/dbraw/zinc/35/01/87/677350187.db2.gz FFJFWTWDXKQIPC-UWVGGRQHSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732091589 677350428 /nfs/dbraw/zinc/35/04/28/677350428.db2.gz KAHKWSLNMCRCLG-WCBMZHEXSA-N -1 0 306.326 -0.890 20 0 DBADRM O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732089179 677350630 /nfs/dbraw/zinc/35/06/30/677350630.db2.gz KHFKXNMPPYREAP-JTQLQIEISA-N -1 0 315.293 -0.005 20 0 DBADRM O=C(N1CCO[C@H](c2nnn[n-]2)C1)[C@]12CCC(=O)N1CCS2 ZINC000732091031 677350926 /nfs/dbraw/zinc/35/09/26/677350926.db2.gz YFQNVQJHQUUVCE-QPUJVOFHSA-N -1 0 324.366 -0.835 20 0 DBADRM O=C(NCCS(=O)(=O)Cc1ccccc1)c1cc(=O)[nH][n-]1 ZINC000732277697 677352785 /nfs/dbraw/zinc/35/27/85/677352785.db2.gz MVCFUDPSBLUILO-UHFFFAOYSA-N -1 0 309.347 -0.407 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000732269005 677352918 /nfs/dbraw/zinc/35/29/18/677352918.db2.gz NNHOCGRVBRNFJX-UHFFFAOYSA-N -1 0 316.317 -0.448 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2n[n-]c3ccccc3c2=O)CC1 ZINC000732280586 677352955 /nfs/dbraw/zinc/35/29/55/677352955.db2.gz ZNMOXHQQISIOPH-UHFFFAOYSA-N -1 0 315.333 -0.422 20 0 DBADRM O=C(NCCS(=O)(=O)NCc1ccccc1)c1cc(=O)[nH][n-]1 ZINC000732272416 677352967 /nfs/dbraw/zinc/35/29/67/677352967.db2.gz SJOZYFFQRNYMFO-UHFFFAOYSA-N -1 0 324.362 -0.902 20 0 DBADRM COc1ccc(-c2nnc(CNC(=O)c3cc(=O)[nH][n-]3)[nH]2)cc1 ZINC000732286106 677353093 /nfs/dbraw/zinc/35/30/93/677353093.db2.gz AAUIIIXGACIAJY-UHFFFAOYSA-N -1 0 314.305 -0.028 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993296739 677356613 /nfs/dbraw/zinc/35/66/13/677356613.db2.gz IVUJURFWKIXJRJ-BDAKNGLRSA-N -1 0 320.357 -0.578 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000732506095 677361954 /nfs/dbraw/zinc/36/19/54/677361954.db2.gz BGMFSEWYBCVQPP-UHFFFAOYSA-N -1 0 322.383 -0.892 20 0 DBADRM CN1CCCC[C@H](C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1=O ZINC001031247993 677361961 /nfs/dbraw/zinc/36/19/61/677361961.db2.gz FUBPADMZHPFORB-SNVBAGLBSA-N -1 0 322.369 -0.931 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000732507983 677362117 /nfs/dbraw/zinc/36/21/17/677362117.db2.gz IDIPZPIBNXBEFC-NSHDSACASA-N -1 0 322.408 -0.466 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)C1CCCC1 ZINC000732520288 677363749 /nfs/dbraw/zinc/36/37/49/677363749.db2.gz BJXZRIXUJPXYDE-NSHDSACASA-N -1 0 306.384 -0.226 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2 ZINC000732523767 677363936 /nfs/dbraw/zinc/36/39/36/677363936.db2.gz WEBJKALAIGZCTI-SNVBAGLBSA-N -1 0 308.381 -0.856 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CCn1c(C)csc1=O ZINC000732522887 677363994 /nfs/dbraw/zinc/36/39/94/677363994.db2.gz HGSNNOZVDMBIOR-UHFFFAOYSA-N -1 0 308.381 -0.299 20 0 DBADRM CCCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CCOC ZINC000732524177 677364056 /nfs/dbraw/zinc/36/40/56/677364056.db2.gz QSSPZVOKPKXCDU-JTQLQIEISA-N -1 0 306.384 -0.130 20 0 DBADRM CCOCC(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000732618647 677366428 /nfs/dbraw/zinc/36/64/28/677366428.db2.gz GZTYXXOIJVYUMK-UHFFFAOYSA-N -1 0 300.336 -0.065 20 0 DBADRM O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1cc(=O)[nH][n-]1 ZINC000732835818 677374879 /nfs/dbraw/zinc/37/48/79/677374879.db2.gz QHFAYBCGCCRFJM-SECBINFHSA-N -1 0 304.281 -0.077 20 0 DBADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000732905174 677376588 /nfs/dbraw/zinc/37/65/88/677376588.db2.gz IOSBGMYAOJGGHP-MRVPVSSYSA-N -1 0 317.367 -0.018 20 0 DBADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000732905177 677376703 /nfs/dbraw/zinc/37/67/03/677376703.db2.gz IOSBGMYAOJGGHP-QMMMGPOBSA-N -1 0 317.367 -0.018 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC000993676300 677384793 /nfs/dbraw/zinc/38/47/93/677384793.db2.gz XAKZCWTVDFHSMZ-RKDXNWHRSA-N -1 0 320.357 -0.280 20 0 DBADRM C[C@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993887540 677393114 /nfs/dbraw/zinc/39/31/14/677393114.db2.gz REUCOQYLWABFQS-ONGXEEELSA-N -1 0 319.369 -0.055 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC(=O)N1CCc2ccccc21 ZINC000916121073 677414317 /nfs/dbraw/zinc/41/43/17/677414317.db2.gz JBLFEWLURRNDSG-UHFFFAOYSA-N -1 0 306.322 -0.448 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(CCOC2CCC2)C1 ZINC001031315059 677416486 /nfs/dbraw/zinc/41/64/86/677416486.db2.gz RSESIPJUKCFFTL-UHFFFAOYSA-N -1 0 311.342 -0.941 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(CC2CC(F)(F)C2)C1 ZINC001031315304 677416835 /nfs/dbraw/zinc/41/68/35/677416835.db2.gz ZONNPZXJYRDZIX-UHFFFAOYSA-N -1 0 317.296 -0.465 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(Cc2cccnc2)C1 ZINC001031316423 677417539 /nfs/dbraw/zinc/41/75/39/677417539.db2.gz KXQOMOMOAFPKFP-UHFFFAOYSA-N -1 0 304.310 -0.915 20 0 DBADRM O=C([N-]S(=O)(=O)c1cccnc1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000916781388 677424516 /nfs/dbraw/zinc/42/45/16/677424516.db2.gz QGHNIIUNUOLBGO-SECBINFHSA-N -1 0 309.347 -0.103 20 0 DBADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)c2cnn(C)c2)no1 ZINC000916821675 677424770 /nfs/dbraw/zinc/42/47/70/677424770.db2.gz OBKMONNERHYZEH-UHFFFAOYSA-N -1 0 300.296 -0.400 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000916822699 677424884 /nfs/dbraw/zinc/42/48/84/677424884.db2.gz IHKGWDHINZOLDF-MRVPVSSYSA-N -1 0 316.383 -0.224 20 0 DBADRM CS(=O)(=O)N1CCN(CC(=O)[N-]OCC(F)(F)F)CC1 ZINC000766765401 677435209 /nfs/dbraw/zinc/43/52/09/677435209.db2.gz QGNYOGOWYSYPMB-UHFFFAOYSA-N -1 0 319.305 -0.826 20 0 DBADRM C[C@@H]1[C@H](NC(=O)Cn2ccnc2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994506571 677435705 /nfs/dbraw/zinc/43/57/05/677435705.db2.gz LCZURJMFXHUHDS-GHMZBOCLSA-N -1 0 319.369 -0.124 20 0 DBADRM C[C@H](C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCC1 ZINC000994510408 677436373 /nfs/dbraw/zinc/43/63/73/677436373.db2.gz ZBTBNHASJMOQOD-ZETCQYMHSA-N -1 0 321.337 -0.340 20 0 DBADRM COCc1nc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cs1 ZINC001031472245 677454842 /nfs/dbraw/zinc/45/48/42/677454842.db2.gz QYTCYHXEVIJGLW-UHFFFAOYSA-N -1 0 324.366 -0.273 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1Cl ZINC000918399249 677455558 /nfs/dbraw/zinc/45/55/58/677455558.db2.gz NIDZQDJYMDDNDV-UHFFFAOYSA-N -1 0 318.746 -0.444 20 0 DBADRM CN(CC(N)=O)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000918573766 677459143 /nfs/dbraw/zinc/45/91/43/677459143.db2.gz BRNUWBNQFQTDGO-UHFFFAOYSA-N -1 0 306.347 -0.221 20 0 DBADRM C[C@H](C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)C1CCOCC1 ZINC001031498478 677459384 /nfs/dbraw/zinc/45/93/84/677459384.db2.gz VOGUTPIOIRWKLH-VIFPVBQESA-N -1 0 309.370 -0.127 20 0 DBADRM CC(=O)N1CCC(C(=O)[N-]S(=O)(=O)N2CCCC2)CC1 ZINC000919671162 677478963 /nfs/dbraw/zinc/47/89/63/677478963.db2.gz YLRWYCCZKNMIQL-UHFFFAOYSA-N -1 0 303.384 -0.298 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(Cc3nncn3C)C2)c1[O-] ZINC001031617518 677480962 /nfs/dbraw/zinc/48/09/62/677480962.db2.gz HFZVKOWBFMDTTB-UHFFFAOYSA-N -1 0 305.342 -0.586 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN([C@@H]3CCN(C)C3=O)C2)c1[O-] ZINC001031616046 677480993 /nfs/dbraw/zinc/48/09/93/677480993.db2.gz MBCPQLUZRKSOSI-SNVBAGLBSA-N -1 0 307.354 -0.684 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN([C@H](C)c3nnnn3C)C2)c1[O-] ZINC001031617853 677481028 /nfs/dbraw/zinc/48/10/28/677481028.db2.gz RYZZRKUURUETJR-MRVPVSSYSA-N -1 0 320.357 -0.630 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(CCS(C)(=O)=O)C2)c1[O-] ZINC001031617555 677481132 /nfs/dbraw/zinc/48/11/32/677481132.db2.gz IHFYVLQKWVWFLW-UHFFFAOYSA-N -1 0 316.383 -0.870 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(Cc3ncnn3C)C2)c1[O-] ZINC001031617628 677481183 /nfs/dbraw/zinc/48/11/83/677481183.db2.gz KIRYJUCPGUPONH-UHFFFAOYSA-N -1 0 305.342 -0.586 20 0 DBADRM CCn1ncc(CN2CC(CNC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001031617281 677481184 /nfs/dbraw/zinc/48/11/84/677481184.db2.gz BUVGTNOQDZRMBM-UHFFFAOYSA-N -1 0 319.369 -0.103 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc(F)cn1 ZINC001031625838 677484338 /nfs/dbraw/zinc/48/43/38/677484338.db2.gz MQPPWGKZAATFKO-UHFFFAOYSA-N -1 0 306.301 -0.094 20 0 DBADRM C[C@H]1OCCC[C@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031638022 677488789 /nfs/dbraw/zinc/48/87/89/677488789.db2.gz REWXOLVBVDJSJA-MWLCHTKSSA-N -1 0 309.370 -0.127 20 0 DBADRM CCO[N-]C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000920442637 677493778 /nfs/dbraw/zinc/49/37/78/677493778.db2.gz PHBMFGBOSOAUQW-UHFFFAOYSA-N -1 0 315.307 -0.690 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CC1(Cl)Cl ZINC000175176428 677507709 /nfs/dbraw/zinc/50/77/09/677507709.db2.gz IZBYSPWIPUPGKV-ZCFIWIBFSA-N -1 0 303.167 -0.127 20 0 DBADRM O=C(CC1CCC1)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938349398 677515968 /nfs/dbraw/zinc/51/59/68/677515968.db2.gz IFJXDKUVYDMXSH-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938349347 677516033 /nfs/dbraw/zinc/51/60/33/677516033.db2.gz GHUJEHSCAUUIAA-PFPYCLJUSA-N -1 0 307.310 -0.420 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2ccco2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000938349430 677516071 /nfs/dbraw/zinc/51/60/71/677516071.db2.gz JOEOIXLAFJGANT-ZETCQYMHSA-N -1 0 319.277 -0.480 20 0 DBADRM CC(C)=CC(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938350232 677516391 /nfs/dbraw/zinc/51/63/91/677516391.db2.gz PPDDJBQJKVZJIF-QMMMGPOBSA-N -1 0 307.310 -0.420 20 0 DBADRM CC1(C(=O)N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CCC1 ZINC000938388368 677519880 /nfs/dbraw/zinc/51/98/80/677519880.db2.gz QTAOSPRWMMFAAR-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H](C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000938388646 677519919 /nfs/dbraw/zinc/51/99/19/677519919.db2.gz GYSPLDGZSTWFRV-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938388229 677519950 /nfs/dbraw/zinc/51/99/50/677519950.db2.gz NWTZJEFZCYUWNV-CIUDSAMLSA-N -1 0 309.326 -0.938 20 0 DBADRM CC1(C)C[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938388602 677519980 /nfs/dbraw/zinc/51/99/80/677519980.db2.gz FDCLLOBSQDTKHE-IUCAKERBSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3ccncn3)C2)c1[O-] ZINC000938502721 677531218 /nfs/dbraw/zinc/53/12/18/677531218.db2.gz YEJKQLGNZSITNK-VIFPVBQESA-N -1 0 316.321 -0.142 20 0 DBADRM Cn1cc(CN2CC(CNC(=O)c3cnc[nH]c3=O)C2)nn1 ZINC001031757271 677564562 /nfs/dbraw/zinc/56/45/62/677564562.db2.gz MLFWAZCSBLYEON-UHFFFAOYSA-N -1 0 303.326 -0.828 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC000938976024 677565681 /nfs/dbraw/zinc/56/56/81/677565681.db2.gz VUQOPAMPOQDESK-IUCAKERBSA-N -1 0 321.337 -0.794 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938984634 677566404 /nfs/dbraw/zinc/56/64/04/677566404.db2.gz VRGLVHIFAKMVOZ-GUBZILKMSA-N -1 0 323.353 -0.595 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938984633 677566425 /nfs/dbraw/zinc/56/64/25/677566425.db2.gz VRGLVHIFAKMVOZ-AEJSXWLSSA-N -1 0 323.353 -0.595 20 0 DBADRM CN(C(=O)C1CC1)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938987627 677566971 /nfs/dbraw/zinc/56/69/71/677566971.db2.gz NKYUJXVOLAKJHZ-VIFPVBQESA-N -1 0 309.326 -0.841 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000939065199 677574647 /nfs/dbraw/zinc/57/46/47/677574647.db2.gz HMLWJYQQVZMWLM-UYXSQOIJSA-N -1 0 321.337 -0.485 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(C(=O)c3nc[nH]n3)C2)c1[O-] ZINC000939080627 677575629 /nfs/dbraw/zinc/57/56/29/677575629.db2.gz DTHFNKGJVBIZMS-QMMMGPOBSA-N -1 0 319.325 -0.471 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccco1 ZINC000939144031 677580907 /nfs/dbraw/zinc/58/09/07/677580907.db2.gz NIPXDPYXWUQPAT-SSDOTTSWSA-N -1 0 319.277 -0.480 20 0 DBADRM CO[C@H]1CC[C@@H](C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001031793053 677581783 /nfs/dbraw/zinc/58/17/83/677581783.db2.gz XOMMOXSTGOPMMY-MNOVXSKESA-N -1 0 309.370 -0.127 20 0 DBADRM O=C(NCC1CN(Cc2ccon2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001031816000 677599892 /nfs/dbraw/zinc/59/98/92/677599892.db2.gz SPQGHCRKCOVZQY-UHFFFAOYSA-N -1 0 306.282 -0.867 20 0 DBADRM Cc1cnc(CN2CC(CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001031817903 677603100 /nfs/dbraw/zinc/60/31/00/677603100.db2.gz ZLPSNNUACIDPDG-UHFFFAOYSA-N -1 0 320.309 -0.559 20 0 DBADRM COc1cnc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)nc1 ZINC001031834010 677617989 /nfs/dbraw/zinc/61/79/89/677617989.db2.gz KOXYPIIAKRBACQ-UHFFFAOYSA-N -1 0 319.325 -0.829 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cccnn3)C2)c1[O-] ZINC000940047366 677645540 /nfs/dbraw/zinc/64/55/40/677645540.db2.gz CYZDCANRFKSHKF-SECBINFHSA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)c1[O-] ZINC000940047351 677645596 /nfs/dbraw/zinc/64/55/96/677645596.db2.gz CKNCQKKFGQSLKB-BDAKNGLRSA-N -1 0 321.337 -0.967 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3ccncn3)C2)c1[O-] ZINC000940047328 677645634 /nfs/dbraw/zinc/64/56/34/677645634.db2.gz BEPKHUQTFRNYNB-SECBINFHSA-N -1 0 316.321 -0.142 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1nnc[nH]1 ZINC000941110675 677752277 /nfs/dbraw/zinc/75/22/77/677752277.db2.gz HUPWZFRSACUURD-QMMMGPOBSA-N -1 0 320.357 -0.341 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CCN(C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000941294951 677775195 /nfs/dbraw/zinc/77/51/95/677775195.db2.gz DMYUJLCIOAYEDB-PWSUYJOCSA-N -1 0 320.397 -0.505 20 0 DBADRM CC1(C(=O)N2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)CC1 ZINC000941293740 677775337 /nfs/dbraw/zinc/77/53/37/677775337.db2.gz LLHDQPLJQNSHNS-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM COc1ncccc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031948979 677801313 /nfs/dbraw/zinc/80/13/13/677801313.db2.gz XFPNZKKFNBGFOE-UHFFFAOYSA-N -1 0 318.337 -0.224 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2ncccc2F)C1)c1cn[nH]n1 ZINC000941446479 677805626 /nfs/dbraw/zinc/80/56/26/677805626.db2.gz UJXUMUIEEFBKFM-MRVPVSSYSA-N -1 0 304.285 -0.017 20 0 DBADRM O=C(CCc1ncccn1)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000941446106 677805783 /nfs/dbraw/zinc/80/57/83/677805783.db2.gz DBCNBTQJMUZVIP-SNVBAGLBSA-N -1 0 315.337 -0.442 20 0 DBADRM C[C@H](CC(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)C1)n1cccn1 ZINC000941448190 677809957 /nfs/dbraw/zinc/80/99/57/677809957.db2.gz SFCTXSSBMQDYRM-GHMZBOCLSA-N -1 0 317.353 -0.017 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)C1)c1cn[nH]n1 ZINC000941448187 677810074 /nfs/dbraw/zinc/81/00/74/677810074.db2.gz RVGVUCNQBQMFIB-ZJUUUORDSA-N -1 0 320.353 -0.806 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)[C@H]2CCCCC(=O)N2)C1)c1cn[nH]n1 ZINC000941448186 677810455 /nfs/dbraw/zinc/81/04/55/677810455.db2.gz RVGVUCNQBQMFIB-NXEZZACHSA-N -1 0 320.353 -0.806 20 0 DBADRM Cn1ccc(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)n1 ZINC000183266404 677820886 /nfs/dbraw/zinc/82/08/86/677820886.db2.gz PUZRRWJHACTNMG-NSHDSACASA-N -1 0 301.368 -0.022 20 0 DBADRM C[C@H]1COCC[C@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031958252 677824146 /nfs/dbraw/zinc/82/41/46/677824146.db2.gz ACZAADBYMCDHFR-GXSJLCMTSA-N -1 0 309.370 -0.269 20 0 DBADRM CCc1cc(C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)n(C)n1 ZINC000995174059 677847003 /nfs/dbraw/zinc/84/70/03/677847003.db2.gz SKFFFEJHLBNWGK-UHFFFAOYSA-N -1 0 303.326 -0.645 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)C1 ZINC000995177950 677853286 /nfs/dbraw/zinc/85/32/86/677853286.db2.gz SQPDSLFDFOXHKU-BDAKNGLRSA-N -1 0 320.353 -0.963 20 0 DBADRM Cn1nc(C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)cc1C1CC1 ZINC000995177642 677853565 /nfs/dbraw/zinc/85/35/65/677853565.db2.gz ASEZLQPEVNIRFY-UHFFFAOYSA-N -1 0 315.337 -0.330 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC000941933908 677864481 /nfs/dbraw/zinc/86/44/81/677864481.db2.gz GPGMVUWWFLQKBD-UMBAGQNISA-N -1 0 321.337 -0.627 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000941933936 677864741 /nfs/dbraw/zinc/86/47/41/677864741.db2.gz GYSPLDGZSTWFRV-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM CC[C@@H](F)C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000941939968 677864793 /nfs/dbraw/zinc/86/47/93/677864793.db2.gz QHUARRNVYZFFBM-HTQZYQBOSA-N -1 0 315.305 -0.846 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)CC2CC2)C1 ZINC000941934138 677864838 /nfs/dbraw/zinc/86/48/38/677864838.db2.gz NMXNOVZXHPJRQJ-SECBINFHSA-N -1 0 309.326 -0.794 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cn(C)nn1 ZINC000942021102 677876549 /nfs/dbraw/zinc/87/65/49/677876549.db2.gz QQRDWSVAVHXAQV-IUCAKERBSA-N -1 0 320.357 -0.721 20 0 DBADRM Cn1ccc(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000995220321 677900466 /nfs/dbraw/zinc/90/04/66/677900466.db2.gz BMEZPZVJKWJVIA-ZJUUUORDSA-N -1 0 319.369 -0.068 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2ncccc2O)C1)c1cnon1 ZINC000942256371 677900512 /nfs/dbraw/zinc/90/05/12/677900512.db2.gz GVTJVGRKBQSMOB-MRVPVSSYSA-N -1 0 303.278 -0.185 20 0 DBADRM CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000942376334 677923116 /nfs/dbraw/zinc/92/31/16/677923116.db2.gz JMGDGMZAFMWWCL-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM CCn1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)c(C)n1 ZINC001032014456 677924419 /nfs/dbraw/zinc/92/44/19/677924419.db2.gz CEFALRYOGXVOLE-UHFFFAOYSA-N -1 0 319.369 -0.103 20 0 DBADRM CCC(=O)N1CC[C@H](N(CC)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000942881771 677967748 /nfs/dbraw/zinc/96/77/48/677967748.db2.gz IJBZGCMPTNBCCJ-QMMMGPOBSA-N -1 0 309.326 -0.244 20 0 DBADRM CCC(=O)N[C@H]1CCCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000942999356 677974266 /nfs/dbraw/zinc/97/42/66/677974266.db2.gz DRNLAGPNSOBVFT-QMMMGPOBSA-N -1 0 309.326 -0.196 20 0 DBADRM CC(=O)N1CCC(NC(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC000943145189 677980681 /nfs/dbraw/zinc/98/06/81/677980681.db2.gz MIXTXJFWSDKKLB-UHFFFAOYSA-N -1 0 303.322 -0.237 20 0 DBADRM CC(=O)N1CCC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000943161094 677981013 /nfs/dbraw/zinc/98/10/13/677981013.db2.gz XECYNZRVRKIDBV-UHFFFAOYSA-N -1 0 318.337 -0.802 20 0 DBADRM O=C(NC1CCN(C(=O)C2CC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC000943235117 677984039 /nfs/dbraw/zinc/98/40/39/677984039.db2.gz UXFPDXJQQJRJLN-UHFFFAOYSA-N -1 0 307.310 -0.586 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)CCO1 ZINC001032078416 677991892 /nfs/dbraw/zinc/99/18/92/677991892.db2.gz TVNLSMWRVJLRFQ-MWLCHTKSSA-N -1 0 309.370 -0.127 20 0 DBADRM CC(=O)N[C@H]1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000943582499 678005671 /nfs/dbraw/zinc/00/56/71/678005671.db2.gz NNDDHRJBZHDXFP-MGCOHNPYSA-N -1 0 308.338 -0.337 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1nnc[nH]1 ZINC000943701371 678012276 /nfs/dbraw/zinc/01/22/76/678012276.db2.gz HIFJFVRNILDVNP-SFYZADRCSA-N -1 0 306.330 -0.731 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1nnc[nH]1 ZINC000943701372 678012512 /nfs/dbraw/zinc/01/25/12/678012512.db2.gz HIFJFVRNILDVNP-YUMQZZPRSA-N -1 0 306.330 -0.731 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032160617 678047027 /nfs/dbraw/zinc/04/70/27/678047027.db2.gz CKQBBNACMDJBMT-JTQLQIEISA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)C(F)F)CCO2)c1[O-] ZINC000944550964 678099044 /nfs/dbraw/zinc/09/90/44/678099044.db2.gz VPRACWICQWIDHX-SSDOTTSWSA-N -1 0 318.280 -0.354 20 0 DBADRM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000945083802 678141784 /nfs/dbraw/zinc/14/17/84/678141784.db2.gz OCAZTMBHPRRLFD-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@@H]1C ZINC000945416372 678155002 /nfs/dbraw/zinc/15/50/02/678155002.db2.gz YIDSIGMGGBCILD-WCBMZHEXSA-N -1 0 318.337 -0.596 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000945428768 678155154 /nfs/dbraw/zinc/15/51/54/678155154.db2.gz KBMIQGBNZBNMOI-SFYZADRCSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@H]1NC(=O)C1CC1 ZINC000945433210 678155546 /nfs/dbraw/zinc/15/55/46/678155546.db2.gz VCWGAUYMSITKNE-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000945549761 678165258 /nfs/dbraw/zinc/16/52/58/678165258.db2.gz BFRCFFHULBMNLR-KOLCDFICSA-N -1 0 322.365 -0.137 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)C(N)=O)C2)c1[O-] ZINC000945671894 678170465 /nfs/dbraw/zinc/17/04/65/678170465.db2.gz WKOOSCLYAUPTDS-CBAPKCEASA-N -1 0 323.353 -0.734 20 0 DBADRM CC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000945788032 678175038 /nfs/dbraw/zinc/17/50/38/678175038.db2.gz KUMDPHCYKMFMLT-JOYOIKCWSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)NC[C@H]1[C@H](C)CCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000945788034 678175237 /nfs/dbraw/zinc/17/52/37/678175237.db2.gz KUMDPHCYKMFMLT-SKDRFNHKSA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)Cn1ccnc1 ZINC000945807408 678177283 /nfs/dbraw/zinc/17/72/83/678177283.db2.gz JBTYVCIYCXJSKA-QWRGUYRKSA-N -1 0 319.369 -0.266 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)Cn1ccnc1 ZINC000945807406 678177505 /nfs/dbraw/zinc/17/75/05/678177505.db2.gz JBTYVCIYCXJSKA-GHMZBOCLSA-N -1 0 319.369 -0.266 20 0 DBADRM CC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000945816954 678179790 /nfs/dbraw/zinc/17/97/90/678179790.db2.gz XQFUGQNSJVRRGR-CMPLNLGQSA-N -1 0 320.349 -0.431 20 0 DBADRM CCC(=O)N1CC[C@@H]2[C@H](CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000945817717 678179955 /nfs/dbraw/zinc/17/99/55/678179955.db2.gz ZBOXKYOVNPOWJP-NXEZZACHSA-N -1 0 323.353 -0.451 20 0 DBADRM CC(=O)N1CC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)CC[C@@H]21 ZINC000946007991 678192184 /nfs/dbraw/zinc/19/21/84/678192184.db2.gz YMGIKXVOTMYOIQ-JQWIXIFHSA-N -1 0 320.349 -0.431 20 0 DBADRM CC(C)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000946136385 678205916 /nfs/dbraw/zinc/20/59/16/678205916.db2.gz WRLNDBBINQSJRE-RKDXNWHRSA-N -1 0 323.353 -0.047 20 0 DBADRM CO[C@@H](C)C(=O)N1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000996398429 678240953 /nfs/dbraw/zinc/24/09/53/678240953.db2.gz UUIHXVUUWDLCAZ-ZETCQYMHSA-N -1 0 320.305 -0.096 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cs1 ZINC000733715211 678253778 /nfs/dbraw/zinc/25/37/78/678253778.db2.gz QFTBDMNQFXZINN-LURJTMIESA-N -1 0 306.365 -0.059 20 0 DBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)COC)cn1 ZINC000733717652 678254025 /nfs/dbraw/zinc/25/40/25/678254025.db2.gz NJHALJKTQWESLE-MRVPVSSYSA-N -1 0 315.351 -0.464 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC000733716687 678254221 /nfs/dbraw/zinc/25/42/21/678254221.db2.gz SGSDTELGIOELEL-QWRGUYRKSA-N -1 0 320.411 -0.028 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000733716190 678254305 /nfs/dbraw/zinc/25/43/05/678254305.db2.gz NUMISBJPVXRROK-ZCFIWIBFSA-N -1 0 306.365 -0.059 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)s1 ZINC000733720741 678255691 /nfs/dbraw/zinc/25/56/91/678255691.db2.gz VULDUTASUKZFCF-LURJTMIESA-N -1 0 304.349 -0.305 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1 ZINC000733714077 678255749 /nfs/dbraw/zinc/25/57/49/678255749.db2.gz BCGYLSRJRPWQKC-MRVPVSSYSA-N -1 0 300.336 -0.120 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733721543 678255872 /nfs/dbraw/zinc/25/58/72/678255872.db2.gz AXMFXEPTIYWWSF-SECBINFHSA-N -1 0 306.384 -0.226 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Sc1nncn1C ZINC000733714098 678255934 /nfs/dbraw/zinc/25/59/34/678255934.db2.gz BMFCFYLIJXIVDQ-YUMQZZPRSA-N -1 0 322.412 -0.223 20 0 DBADRM CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733721138 678255944 /nfs/dbraw/zinc/25/59/44/678255944.db2.gz YYSLYHUCFVPTFL-JTQLQIEISA-N -1 0 306.384 -0.226 20 0 DBADRM O=C(CCOC[C@H]1CCCO1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733723099 678256278 /nfs/dbraw/zinc/25/62/78/678256278.db2.gz JGBXWMBRUOCCMS-MNOVXSKESA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733723159 678256323 /nfs/dbraw/zinc/25/63/23/678256323.db2.gz KLEYXJMJCDJSPT-KOLCDFICSA-N -1 0 318.395 -0.084 20 0 DBADRM CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)C1CCCC1 ZINC000733721684 678256461 /nfs/dbraw/zinc/25/64/61/678256461.db2.gz CNZHOLAVBNTLPA-RYUDHWBXSA-N -1 0 318.395 -0.084 20 0 DBADRM CC(=O)Nc1nc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cs1 ZINC000733725697 678256483 /nfs/dbraw/zinc/25/64/83/678256483.db2.gz RBKWQRMAARNNJN-SSDOTTSWSA-N -1 0 319.364 -0.050 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733721669 678256537 /nfs/dbraw/zinc/25/65/37/678256537.db2.gz CLECRRRAUJJGIE-GARJFASQSA-N -1 0 307.368 -0.195 20 0 DBADRM NC(=O)C1(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCCC1 ZINC000733778995 678261513 /nfs/dbraw/zinc/26/15/13/678261513.db2.gz AGMAKHQKPZWWOE-UHFFFAOYSA-N -1 0 317.305 -0.036 20 0 DBADRM CC1(C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CCCC1 ZINC000996616613 678270872 /nfs/dbraw/zinc/27/08/72/678270872.db2.gz HMVJIGGKLCUYQK-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1c[nH]c(C(N)=O)c1 ZINC000734088179 678275126 /nfs/dbraw/zinc/27/51/26/678275126.db2.gz HDKQJVRLLRWOJE-UHFFFAOYSA-N -1 0 317.323 -0.874 20 0 DBADRM O=C([C@H]1CCCOC1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032313721 678276771 /nfs/dbraw/zinc/27/67/71/678276771.db2.gz NYKFONGSFZFYPQ-DCAQKATOSA-N -1 0 307.354 -0.278 20 0 DBADRM CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)cn1 ZINC001032321946 678291028 /nfs/dbraw/zinc/29/10/28/678291028.db2.gz JTWNKVSMJIGFGM-QWRGUYRKSA-N -1 0 317.353 -0.174 20 0 DBADRM O=C(NC1CN(C(=O)c2cc(F)c[nH]2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996752844 678291539 /nfs/dbraw/zinc/29/15/39/678291539.db2.gz HNSSHBOXCCOKMS-UHFFFAOYSA-N -1 0 322.256 -0.996 20 0 DBADRM C[C@H](CC(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000996755013 678291782 /nfs/dbraw/zinc/29/17/82/678291782.db2.gz QWCNWYRINLBCTK-SSDOTTSWSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(Cc1ccon1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032324989 678297423 /nfs/dbraw/zinc/29/74/23/678297423.db2.gz CUDODYKQVCCDJL-UWVGGRQHSA-N -1 0 304.310 -0.474 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H]2CCCNC2=O)c1[O-] ZINC001032355414 678341439 /nfs/dbraw/zinc/34/14/39/678341439.db2.gz CCMCLKUGSBVHNK-DCAQKATOSA-N -1 0 319.365 -0.399 20 0 DBADRM COc1cc(OC)cc([C@H](O)CNC(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000735689467 678341559 /nfs/dbraw/zinc/34/15/59/678341559.db2.gz ANGXBEQJLWDTNZ-SNVBAGLBSA-N -1 0 308.294 -0.009 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NC2CC2)c1[O-] ZINC001032355844 678341862 /nfs/dbraw/zinc/34/18/62/678341862.db2.gz IFQKSXKUUJYGCG-QWRGUYRKSA-N -1 0 319.365 -0.399 20 0 DBADRM CCOCC(=O)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC ZINC000735768456 678343484 /nfs/dbraw/zinc/34/34/84/678343484.db2.gz LVDYHPUUHLHLDD-VIFPVBQESA-N -1 0 308.356 -0.589 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nnn(C)n2)c1[O-] ZINC001032356407 678343784 /nfs/dbraw/zinc/34/37/84/678343784.db2.gz SCUXLSZWTKWORT-IUCAKERBSA-N -1 0 318.341 -0.954 20 0 DBADRM C[C@@](O)(CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001032361544 678347841 /nfs/dbraw/zinc/34/78/41/678347841.db2.gz RKUVFJWGZNTDTD-ZIBATOQPSA-N -1 0 321.381 -0.154 20 0 DBADRM COC(=O)[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)(C)C ZINC000736101855 678364355 /nfs/dbraw/zinc/36/43/55/678364355.db2.gz ZPAASGOYKKVLHG-JTQLQIEISA-N -1 0 321.337 -0.225 20 0 DBADRM CO[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001032382886 678384740 /nfs/dbraw/zinc/38/47/40/678384740.db2.gz IMMZYXNFIGZQGG-JBLDHEPKSA-N -1 0 307.354 -0.280 20 0 DBADRM CO[C@H]1COC[C@H]1S(=O)(=O)NCc1cnc(Cl)cn1 ZINC000921532584 678394706 /nfs/dbraw/zinc/39/47/06/678394706.db2.gz LRCIPTVAOVIYHQ-DTWKUNHWSA-N -1 0 307.759 -0.037 20 0 DBADRM Cc1c[nH]nc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032394640 678394760 /nfs/dbraw/zinc/39/47/60/678394760.db2.gz DSKUFQKLSCSVDG-IUCAKERBSA-N -1 0 303.326 -0.359 20 0 DBADRM C[C@H](CN(C)C(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000736569470 678408775 /nfs/dbraw/zinc/40/87/75/678408775.db2.gz RZBFVOFMOVGMNM-MRVPVSSYSA-N -1 0 307.372 -0.919 20 0 DBADRM CC(C)[C@@H](C)C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997257638 678423276 /nfs/dbraw/zinc/42/32/76/678423276.db2.gz HJXSYPWYLNTIBG-MRVPVSSYSA-N -1 0 311.342 -0.692 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)c2ccccc2)C1 ZINC000997263813 678424173 /nfs/dbraw/zinc/42/41/73/678424173.db2.gz HCXVOAFZPLDISP-UHFFFAOYSA-N -1 0 317.305 -0.670 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)c2ccsc2)C1 ZINC000997267862 678424619 /nfs/dbraw/zinc/42/46/19/678424619.db2.gz WDVCQPCVYSFTME-UHFFFAOYSA-N -1 0 323.334 -0.608 20 0 DBADRM CC[C@H](C)C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997357941 678434243 /nfs/dbraw/zinc/43/42/43/678434243.db2.gz KPVHPYPOZLULDA-QMMMGPOBSA-N -1 0 308.338 -0.527 20 0 DBADRM CC[C@@H](F)C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997360586 678434776 /nfs/dbraw/zinc/43/47/76/678434776.db2.gz ITUWHTOSCZKWDW-SECBINFHSA-N -1 0 312.301 -0.825 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000888327199 678437015 /nfs/dbraw/zinc/43/70/15/678437015.db2.gz UOQSAPRAZYPMIQ-WDEREUQCSA-N -1 0 309.374 -0.558 20 0 DBADRM CC[C@@H]1CN(C(=O)N=c2nn[n-]n2CC)C[C@@H](C)[S@@]1=O ZINC000888327205 678437183 /nfs/dbraw/zinc/43/71/83/678437183.db2.gz UQFJGACYTOUDLR-ZLVALASMSA-N -1 0 300.388 -0.122 20 0 DBADRM COC1CC(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)C1 ZINC001032464841 678445480 /nfs/dbraw/zinc/44/54/80/678445480.db2.gz FEOFQIXYELGPDR-SEQHWMEXSA-N -1 0 307.354 -0.280 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000888332874 678464233 /nfs/dbraw/zinc/46/42/33/678464233.db2.gz MGOVFCLTKAGFRU-NWDGAFQWSA-N -1 0 323.401 -0.120 20 0 DBADRM CCN(CC)C(=O)[C@H]1CCCN1C(=O)N=c1nn[n-]n1CC ZINC000888334728 678465199 /nfs/dbraw/zinc/46/51/99/678465199.db2.gz QSGJVDJGAXQCOI-SNVBAGLBSA-N -1 0 309.374 -0.020 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000888334185 678465205 /nfs/dbraw/zinc/46/52/05/678465205.db2.gz GQXXFJCKIRVCIR-SNVBAGLBSA-N -1 0 304.358 -0.055 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000888338010 678466109 /nfs/dbraw/zinc/46/61/09/678466109.db2.gz KYBIWJKVWXUGSH-SNVBAGLBSA-N -1 0 307.358 -0.266 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H]1CCC[C@@H]1CNC(C)=O ZINC000946254420 678485670 /nfs/dbraw/zinc/48/56/70/678485670.db2.gz RLRIUKPDJZWJFG-BDAKNGLRSA-N -1 0 324.337 -0.069 20 0 DBADRM O=C([C@H]1CCOC1)N1CCC(C[NH2+]Cc2n[nH]c(=O)[n-]2)CC1 ZINC000997596738 678485834 /nfs/dbraw/zinc/48/58/34/678485834.db2.gz BZYAWGGFILQLHH-NSHDSACASA-N -1 0 309.370 -0.125 20 0 DBADRM CC(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000946326251 678510123 /nfs/dbraw/zinc/51/01/23/678510123.db2.gz BRUFWNLJNZRJGF-JQWIXIFHSA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@@]1(C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C=CCC1 ZINC000997847943 678522159 /nfs/dbraw/zinc/52/21/59/678522159.db2.gz TVUZVXCDMYOVRR-CQSZACIVSA-N -1 0 319.321 -0.420 20 0 DBADRM CC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000946409545 678530827 /nfs/dbraw/zinc/53/08/27/678530827.db2.gz ITNKZYUZFBESGQ-ZYHUDNBSSA-N -1 0 322.365 -0.089 20 0 DBADRM COCC(=O)N1CCC[C@H]([NH2+]Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000998324296 678588379 /nfs/dbraw/zinc/58/83/79/678588379.db2.gz DFQFRXPFENCFJQ-NSHDSACASA-N -1 0 319.365 -0.250 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C/C=C\Cl)C1 ZINC001016109215 678602314 /nfs/dbraw/zinc/60/23/14/678602314.db2.gz BDEMXAUUWOBBBQ-CJKINAQCSA-N -1 0 301.734 -0.368 20 0 DBADRM CC[C@]1(C)C[C@@H]1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000998859799 678651990 /nfs/dbraw/zinc/65/19/90/678651990.db2.gz ANDUJXFVNIWJEL-XLKFXECMSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC000999031001 678666837 /nfs/dbraw/zinc/66/68/37/678666837.db2.gz UUNLSBAGUZUKFH-UTLUCORTSA-N -1 0 323.353 -0.407 20 0 DBADRM Cc1ccnn1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032656195 678682507 /nfs/dbraw/zinc/68/25/07/678682507.db2.gz QFFGZORJENNYLZ-QWRGUYRKSA-N -1 0 317.353 -0.499 20 0 DBADRM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)CCOC1 ZINC001032701435 678699915 /nfs/dbraw/zinc/69/99/15/678699915.db2.gz YYDFAAJKCUFLQL-PKFCDNJMSA-N -1 0 307.354 -0.278 20 0 DBADRM Cc1nonc1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032709070 678701977 /nfs/dbraw/zinc/70/19/77/678701977.db2.gz MWPDHJKMXPEBAI-IUCAKERBSA-N -1 0 319.325 -0.770 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@@H](NCc2ccon2)C1 ZINC000999605664 678725008 /nfs/dbraw/zinc/72/50/08/678725008.db2.gz AKYWXLRZLWYUBC-SECBINFHSA-N -1 0 320.309 -0.335 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H]2C[C@H]1CN2Cc1ccon1 ZINC001032754726 678813781 /nfs/dbraw/zinc/81/37/81/678813781.db2.gz MUKFPIPDPLASMC-UWVGGRQHSA-N -1 0 320.309 -0.837 20 0 DBADRM CC[C@@H](F)CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001032755751 678816954 /nfs/dbraw/zinc/81/69/54/678816954.db2.gz KTWWKUSYPHCDEQ-UTLUCORTSA-N -1 0 313.333 -0.278 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001000292016 678831426 /nfs/dbraw/zinc/83/14/26/678831426.db2.gz FGKQWSWDGSOJHP-PSASIEDQSA-N -1 0 320.349 -0.527 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCOC1 ZINC001000495686 678847429 /nfs/dbraw/zinc/84/74/29/678847429.db2.gz KUUROWYJWHVNLH-LLVKDONJSA-N -1 0 307.354 -0.205 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)[C@@H]3CCCO3)C2)c1[O-] ZINC001000811307 678873921 /nfs/dbraw/zinc/87/39/21/678873921.db2.gz ZQOXCKBJZHXJKK-JTQLQIEISA-N -1 0 308.338 -0.209 20 0 DBADRM CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc([O-])n(C)c1=O ZINC001000930868 678884416 /nfs/dbraw/zinc/88/44/16/678884416.db2.gz LZFJZHVVIGOAEM-IEBDPFPHSA-N -1 0 306.322 -0.633 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1n[nH]cc1F ZINC001001120701 678906687 /nfs/dbraw/zinc/90/66/87/678906687.db2.gz DOJHOUJBXLWEPT-UHFFFAOYSA-N -1 0 321.316 -0.065 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnccn1 ZINC001001153838 678911287 /nfs/dbraw/zinc/91/12/87/678911287.db2.gz JVSFDPLWHRJBCQ-UHFFFAOYSA-N -1 0 317.353 -0.058 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ncccn1 ZINC001001281011 678923809 /nfs/dbraw/zinc/92/38/09/678923809.db2.gz DSDVNBHSEJMDTI-UHFFFAOYSA-N -1 0 315.337 -0.138 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccncn1 ZINC001001281913 678924093 /nfs/dbraw/zinc/92/40/93/678924093.db2.gz OGOAHEGIROJQPN-UHFFFAOYSA-N -1 0 315.337 -0.138 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3ccon3)C2)c1[O-] ZINC001001455181 678933250 /nfs/dbraw/zinc/93/32/50/678933250.db2.gz MTPDDUWNISEBDO-UHFFFAOYSA-N -1 0 305.294 -0.086 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3cn(C)nn3)C2)c1[O-] ZINC001001456743 678933449 /nfs/dbraw/zinc/93/34/49/678933449.db2.gz UJYMTRVODKPXPA-UHFFFAOYSA-N -1 0 319.325 -0.946 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3cn[nH]n3)C2)c1[O-] ZINC001001454322 678936538 /nfs/dbraw/zinc/93/65/38/678936538.db2.gz XRKBWFNXFFHBLQ-UHFFFAOYSA-N -1 0 305.298 -0.956 20 0 DBADRM Cc1nc[nH]c1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[nH]1 ZINC001032820427 678959566 /nfs/dbraw/zinc/95/95/66/678959566.db2.gz XVLMHKXFYPZIHU-UWVGGRQHSA-N -1 0 317.353 -0.761 20 0 DBADRM CC(=O)N1CCC[C@H]1CN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001001992265 678964962 /nfs/dbraw/zinc/96/49/62/678964962.db2.gz XREIOLGMXWTBPV-JTQLQIEISA-N -1 0 308.338 -0.431 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnccn1 ZINC001002258576 678973839 /nfs/dbraw/zinc/97/38/39/678973839.db2.gz NFNFWPWYPYHPEF-UHFFFAOYSA-N -1 0 303.326 -0.305 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-]CCO[C@@H]1CCOC1 ZINC000921882630 678976123 /nfs/dbraw/zinc/97/61/23/678976123.db2.gz DSSMHILJOBKVTB-SNVBAGLBSA-N -1 0 312.413 -0.112 20 0 DBADRM Cc1nn(C)cc1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002474176 678985161 /nfs/dbraw/zinc/98/51/61/678985161.db2.gz UJEKGFIFGIPTBE-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1ncc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)[nH]1 ZINC001002479235 678985444 /nfs/dbraw/zinc/98/54/44/678985444.db2.gz GUYCHDAWHNHKEQ-UHFFFAOYSA-N -1 0 305.342 -0.064 20 0 DBADRM O=C(Cc1ccon1)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002500414 678985460 /nfs/dbraw/zinc/98/54/60/678985460.db2.gz MREVOXOIAXBYEE-UHFFFAOYSA-N -1 0 306.326 -0.178 20 0 DBADRM Cc1cc(CC(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n[nH]1 ZINC001002588184 678990447 /nfs/dbraw/zinc/99/04/47/678990447.db2.gz NSFGJNNCUHLJMC-UHFFFAOYSA-N -1 0 319.369 -0.135 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1=CCOCC1 ZINC001002658748 678994734 /nfs/dbraw/zinc/99/47/34/678994734.db2.gz GOVYTERWCKVHJI-UHFFFAOYSA-N -1 0 307.354 -0.062 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)c1nnn[n-]1 ZINC000358384903 679006996 /nfs/dbraw/zinc/00/69/96/679006996.db2.gz UVMDPQOLIVRNTH-DTWKUNHWSA-N -1 0 318.341 -0.462 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)c1nnn[n-]1 ZINC000358384902 679007216 /nfs/dbraw/zinc/00/72/16/679007216.db2.gz UVMDPQOLIVRNTH-BDAKNGLRSA-N -1 0 318.341 -0.462 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCC(=O)NC1 ZINC001003225078 679028419 /nfs/dbraw/zinc/02/84/19/679028419.db2.gz GRNZEIZRMCMTOW-SECBINFHSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001038089741 679035882 /nfs/dbraw/zinc/03/58/82/679035882.db2.gz NTSZHEZUPIVJOK-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM CC(C)[C@H](C)C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003391620 679037584 /nfs/dbraw/zinc/03/75/84/679037584.db2.gz ORWQFYALXIBZJB-QMMMGPOBSA-N -1 0 323.353 -0.237 20 0 DBADRM NC(=O)[C@H]1CC[C@@H]1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003430031 679040345 /nfs/dbraw/zinc/04/03/45/679040345.db2.gz VJRIHCRYRXCRMW-UWVGGRQHSA-N -1 0 322.369 -0.898 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@]1(F)CCOC1 ZINC001003491825 679043739 /nfs/dbraw/zinc/04/37/39/679043739.db2.gz HKVJNXVDBDQTHO-CYBMUJFWSA-N -1 0 313.333 -0.281 20 0 DBADRM O=C(Cc1cnoc1)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003482742 679043900 /nfs/dbraw/zinc/04/39/00/679043900.db2.gz JWIWJTCVUQKTEW-UHFFFAOYSA-N -1 0 306.326 -0.178 20 0 DBADRM CN(C(=O)c1cnsn1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032931449 679082898 /nfs/dbraw/zinc/08/28/98/679082898.db2.gz OFMUNFXEXPZSMK-SSDOTTSWSA-N -1 0 309.355 -0.292 20 0 DBADRM CN(C(=O)[C@H]1CCNC(=O)C1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032998890 679095935 /nfs/dbraw/zinc/09/59/35/679095935.db2.gz HCJIBCBJDIJYSV-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(Cc3ncnn3C)C2)c1[O-] ZINC001033008671 679097746 /nfs/dbraw/zinc/09/77/46/679097746.db2.gz HOZFGHIVRGSNIH-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(CC(=O)N3CCC3)C2)c1[O-] ZINC001033008473 679098000 /nfs/dbraw/zinc/09/80/00/679098000.db2.gz GJMPAWULJHBSLR-NSHDSACASA-N -1 0 321.381 -0.198 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(CC(=O)N(C)C)C2)c1[O-] ZINC001033009846 679099133 /nfs/dbraw/zinc/09/91/33/679099133.db2.gz PBEKDVFKRKIODZ-JTQLQIEISA-N -1 0 309.370 -0.342 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(Cc3nncn3C)C2)c1[O-] ZINC001033010017 679099212 /nfs/dbraw/zinc/09/92/12/679099212.db2.gz PKFZDCLZQLKTGP-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C(=O)c1ncccc1O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033034500 679106356 /nfs/dbraw/zinc/10/63/56/679106356.db2.gz BHBBPHSBRBJFGZ-VIFPVBQESA-N -1 0 318.337 -0.043 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3n[nH]cc3F)C2)c1[O-] ZINC001004143706 679108711 /nfs/dbraw/zinc/10/87/11/679108711.db2.gz XLBQCESZSVTDTE-UHFFFAOYSA-N -1 0 322.300 -0.212 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21 ZINC000922504793 679113599 /nfs/dbraw/zinc/11/35/99/679113599.db2.gz DFGRTGVFNVZIHX-SDDRHHMPSA-N -1 0 312.370 -0.390 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1nc2c(s1)CCC2 ZINC000841431381 805572839 /nfs/dbraw/zinc/57/28/39/805572839.db2.gz ZWVQRTIKWVXMCL-UHFFFAOYSA-N -1 0 317.392 -0.173 20 0 DBADRM C[C@@H](Sc1nc(CC(=O)[N-]OCC(N)=O)cs1)C(N)=O ZINC001295746006 805589190 /nfs/dbraw/zinc/58/91/90/805589190.db2.gz PWDZSXHACVSIBU-RXMQYKEDSA-N -1 0 318.380 -0.815 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000842303912 805589357 /nfs/dbraw/zinc/58/93/57/805589357.db2.gz RSOLICFNCNBOFS-SSDOTTSWSA-N -1 0 309.340 -0.417 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)C(=O)OC(C)(C)C ZINC000842318177 805589953 /nfs/dbraw/zinc/58/99/53/805589953.db2.gz CTHWYKRMKKLAOE-VIFPVBQESA-N -1 0 324.399 -0.097 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cnc2n1CCCC2 ZINC000842355302 805590607 /nfs/dbraw/zinc/59/06/07/805590607.db2.gz GDLRLNSHOVORGL-UHFFFAOYSA-N -1 0 315.351 -0.158 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)CC(=O)OCC)CC1=O ZINC000842330207 805590668 /nfs/dbraw/zinc/59/06/68/805590668.db2.gz GIXAHSLADFTBTQ-SECBINFHSA-N -1 0 320.367 -0.746 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)C[C@H](C)OC)CC1=O ZINC000842349870 805591095 /nfs/dbraw/zinc/59/10/95/805591095.db2.gz QCFYSNATKIWWPV-VHSXEESVSA-N -1 0 306.384 -0.274 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cccc(OC)n1 ZINC000842357112 805591186 /nfs/dbraw/zinc/59/11/86/805591186.db2.gz UFIQNHJLSXICHB-UHFFFAOYSA-N -1 0 302.308 -0.287 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CN(C)[C@H]1CCSC1 ZINC000842355981 805591260 /nfs/dbraw/zinc/59/12/60/805591260.db2.gz PNBDGNRLNFUJOZ-VIFPVBQESA-N -1 0 324.424 -0.567 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1cn(C2CCC2)nn1 ZINC000842716845 805598191 /nfs/dbraw/zinc/59/81/91/805598191.db2.gz QUYRFNXTNMKPAM-VIFPVBQESA-N -1 0 300.340 -0.148 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)C2CCCC2)S1(=O)=O ZINC000842733699 805598414 /nfs/dbraw/zinc/59/84/14/805598414.db2.gz MWOPXFVYXXTLTM-SECBINFHSA-N -1 0 310.397 -0.591 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cn(C2CCC2)nn1 ZINC000842735553 805599449 /nfs/dbraw/zinc/59/94/49/805599449.db2.gz PHRRXBHMTISDPG-UHFFFAOYSA-N -1 0 317.371 -0.444 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C12CC(C(=O)OC)(C1)C2 ZINC000842757683 805599838 /nfs/dbraw/zinc/59/98/38/805599838.db2.gz ZNHSUVZWISLJMC-PUVKNVPGSA-N -1 0 319.335 -0.663 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000842771150 805599915 /nfs/dbraw/zinc/59/99/15/805599915.db2.gz FVFWULFFZNYKMV-RKDXNWHRSA-N -1 0 309.322 -0.733 20 0 DBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)c3ccnn3C)(C1)C2 ZINC000842760854 805600134 /nfs/dbraw/zinc/60/01/34/805600134.db2.gz MJYJXADVYKGRTQ-UHFFFAOYSA-N -1 0 313.335 -0.432 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)C1 ZINC000842763745 805600386 /nfs/dbraw/zinc/60/03/86/805600386.db2.gz CEDIQHJYTPBFGR-HRDYMLBCSA-N -1 0 305.352 -0.001 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)Cc1nc(C2CC2)nn1C ZINC000842773424 805601244 /nfs/dbraw/zinc/60/12/44/805601244.db2.gz FNRVGWQAHDAQTF-MRVPVSSYSA-N -1 0 316.383 -0.284 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000842774922 805601274 /nfs/dbraw/zinc/60/12/74/805601274.db2.gz UTJQTIICQWJMTK-ONGXEEELSA-N -1 0 318.395 -0.132 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCc1ccnc(C)n1 ZINC000842799682 805601473 /nfs/dbraw/zinc/60/14/73/805601473.db2.gz ZJEABAQGTIZXRE-UHFFFAOYSA-N -1 0 315.351 -0.273 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2cn(C3CCC3)nn2)c1 ZINC000842817504 805602892 /nfs/dbraw/zinc/60/28/92/805602892.db2.gz GAPBPSWSIUOQGJ-UHFFFAOYSA-N -1 0 310.339 -0.145 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000843256403 805612280 /nfs/dbraw/zinc/61/22/80/805612280.db2.gz FDDDRSHRQZQUNH-VIFPVBQESA-N -1 0 315.326 -0.686 20 0 DBADRM Cn1nccc1[C@H](NS(=O)(=O)C[C@H]1CCCOC1)C(=O)[O-] ZINC000843304866 805616923 /nfs/dbraw/zinc/61/69/23/805616923.db2.gz QNRXAOKUCJNYQI-ONGXEEELSA-N -1 0 317.367 -0.108 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000843339226 805619244 /nfs/dbraw/zinc/61/92/44/805619244.db2.gz YLLONICPYMFVCJ-ZJUUUORDSA-N -1 0 312.351 -0.417 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cccc2nsnc21 ZINC000843769133 805633914 /nfs/dbraw/zinc/63/39/14/805633914.db2.gz CWOLKYNMSGUBHX-UHFFFAOYSA-N -1 0 302.337 -0.353 20 0 DBADRM C/C=C(/C)C(=O)N1CCC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001296454794 805635860 /nfs/dbraw/zinc/63/58/60/805635860.db2.gz VXCZDRGBVFZOFU-BNFOFFDWSA-N -1 0 323.353 -0.237 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)[N-]OCCO)cc1C ZINC000843859230 805637686 /nfs/dbraw/zinc/63/76/86/805637686.db2.gz OTSNYFXUBAHYFZ-UHFFFAOYSA-N -1 0 302.352 -0.378 20 0 DBADRM CC(C)(CO)O[N-]C(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC000843899924 805637700 /nfs/dbraw/zinc/63/77/00/805637700.db2.gz QDWGLRIKNMPAKN-UHFFFAOYSA-N -1 0 320.342 -0.077 20 0 DBADRM CCN(OC)C(=O)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000844062191 805643458 /nfs/dbraw/zinc/64/34/58/805643458.db2.gz DRPBEXGYESVFFM-UHFFFAOYSA-N -1 0 313.276 -0.030 20 0 DBADRM O=C(NC[C@@H]1CCCCN1C(=O)C(F)(F)F)c1cc(=O)[nH][n-]1 ZINC000844056267 805643630 /nfs/dbraw/zinc/64/36/30/805643630.db2.gz ISXNCXBZEAXOJZ-ZETCQYMHSA-N -1 0 320.271 -0.078 20 0 DBADRM CN1CC[C@H](C(=O)N[C@]2(CC(=O)[O-])CCCOC2)S1(=O)=O ZINC000844155309 805649442 /nfs/dbraw/zinc/64/94/42/805649442.db2.gz MVUNPTZJOJDWKT-SKDRFNHKSA-N -1 0 320.367 -0.840 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(c2ncncc2C(=O)[O-])C1 ZINC000844208343 805653410 /nfs/dbraw/zinc/65/34/10/805653410.db2.gz IOZNQHILUXGJLI-QMMMGPOBSA-N -1 0 300.340 -0.320 20 0 DBADRM CNS(=O)(=O)c1ccc(CNC(=O)COCC(=O)[O-])s1 ZINC000844242577 805654063 /nfs/dbraw/zinc/65/40/63/805654063.db2.gz GHEBJRAJDUXDNF-UHFFFAOYSA-N -1 0 322.364 -0.626 20 0 DBADRM COc1ccc(C(=O)NCCNC(=O)COCC(=O)[O-])cc1 ZINC000844243730 805654132 /nfs/dbraw/zinc/65/41/32/805654132.db2.gz GNDAOHSYBYNCHW-UHFFFAOYSA-N -1 0 310.306 -0.358 20 0 DBADRM NC(=O)CCNC(=O)c1ccccc1NC(=O)COCC(=O)[O-] ZINC000844250376 805654932 /nfs/dbraw/zinc/65/49/32/805654932.db2.gz VOIZRSZGJXQFGC-UHFFFAOYSA-N -1 0 323.305 -0.669 20 0 DBADRM CCOC(=O)[C@@]1(COC)CCCN(C(=O)COCC(=O)[O-])C1 ZINC000844254360 805655036 /nfs/dbraw/zinc/65/50/36/805655036.db2.gz RXNDPRYKCDVCQP-AWEZNQCLSA-N -1 0 317.338 -0.094 20 0 DBADRM CS(=O)(=O)Nc1ccc(CNC(=O)COCC(=O)[O-])cc1 ZINC000844247213 805655234 /nfs/dbraw/zinc/65/52/34/805655234.db2.gz FTVIHAJEFXIKJQ-UHFFFAOYSA-N -1 0 316.335 -0.225 20 0 DBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)COCC(=O)[O-])C1 ZINC000844245492 805655567 /nfs/dbraw/zinc/65/55/67/805655567.db2.gz RRBYBJYQZDNOLY-JTQLQIEISA-N -1 0 321.333 -0.418 20 0 DBADRM O=C([O-])COCC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000844249145 805655653 /nfs/dbraw/zinc/65/56/53/805655653.db2.gz HTXJNPHYHYMZCN-UHFFFAOYSA-N -1 0 322.317 -0.222 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC000844254951 805655701 /nfs/dbraw/zinc/65/57/01/805655701.db2.gz CFQRUHINNSWLPC-UHFFFAOYSA-N -1 0 300.311 -0.669 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000844488457 805661604 /nfs/dbraw/zinc/66/16/04/805661604.db2.gz VVNQCWBXELCNBX-UHFFFAOYSA-N -1 0 305.298 -0.149 20 0 DBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844789521 805671840 /nfs/dbraw/zinc/67/18/40/805671840.db2.gz ILSVSFHOVHEDJG-ZETCQYMHSA-N -1 0 312.706 -0.012 20 0 DBADRM COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cn1 ZINC000844790764 805671948 /nfs/dbraw/zinc/67/19/48/805671948.db2.gz CREHZSMLDFUYDV-VXNVDRBHSA-N -1 0 302.308 -0.701 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844792666 805672297 /nfs/dbraw/zinc/67/22/97/805672297.db2.gz AACCEPFGRYAXQL-UHFFFAOYSA-N -1 0 312.706 -0.058 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC000844787751 805672337 /nfs/dbraw/zinc/67/23/37/805672337.db2.gz ZDTCHOMZBZSCSJ-VIFPVBQESA-N -1 0 318.355 -0.637 20 0 DBADRM COC1(C(=O)[O-])CCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)CC1 ZINC000844800052 805673089 /nfs/dbraw/zinc/67/30/89/805673089.db2.gz VYOBKEPMFIGWCO-VIFPVBQESA-N -1 0 322.383 -0.642 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-n2nnnc2C)cc1 ZINC000845475386 805706366 /nfs/dbraw/zinc/70/63/66/805706366.db2.gz GTGRYTFHAJQQOS-UHFFFAOYSA-N -1 0 324.366 -0.103 20 0 DBADRM CC[C@H](CNC(=O)C1CC=CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001297375063 805702195 /nfs/dbraw/zinc/70/21/95/805702195.db2.gz COOHTZJNWSXPKS-SNVBAGLBSA-N -1 0 323.353 -0.334 20 0 DBADRM COC/C(C)=C/C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000845437115 805703831 /nfs/dbraw/zinc/70/38/31/805703831.db2.gz RBPTXUJAAGRMJL-XBXARRHUSA-N -1 0 315.351 -0.478 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C[C@H](OC)C(F)(F)F ZINC000845467147 805704753 /nfs/dbraw/zinc/70/47/53/805704753.db2.gz WLKIKXLPDKPWEM-YFKPBYRVSA-N -1 0 307.246 -0.427 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000845484931 805705856 /nfs/dbraw/zinc/70/58/56/805705856.db2.gz AQQMWBMDWPAKAC-UHFFFAOYSA-N -1 0 300.340 -0.556 20 0 DBADRM CO[C@H](CC(=O)[N-]S(=O)(=O)c1cnnn1C)C(F)(F)F ZINC000845523969 805708778 /nfs/dbraw/zinc/70/87/78/805708778.db2.gz PESSQTGNPBPMST-RXMQYKEDSA-N -1 0 316.261 -0.413 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000845530330 805709298 /nfs/dbraw/zinc/70/92/98/805709298.db2.gz LHBVDPQOQQINMX-IJLUTSLNSA-N -1 0 315.370 -0.375 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1nc(-c2ccccn2)n[nH]1 ZINC000845530689 805709427 /nfs/dbraw/zinc/70/94/27/805709427.db2.gz SJCLKLHIFOOWRC-UHFFFAOYSA-N -1 0 319.325 -0.266 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000845530247 805709974 /nfs/dbraw/zinc/70/99/74/805709974.db2.gz IVNJZDYDUXMHDF-SNVBAGLBSA-N -1 0 316.358 -0.074 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC1(S(C)(=O)=O)CCCC1 ZINC000845531135 805709981 /nfs/dbraw/zinc/70/99/81/805709981.db2.gz BVEKECVPVOFHTC-UHFFFAOYSA-N -1 0 321.399 -0.289 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@@H](CN2CCOC2=O)C1 ZINC000845532876 805709988 /nfs/dbraw/zinc/70/99/88/805709988.db2.gz SVHNZQLJIUKDGW-SNVBAGLBSA-N -1 0 314.342 -0.462 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@H](CS(C)(=O)=O)C1 ZINC000845532865 805710031 /nfs/dbraw/zinc/71/00/31/805710031.db2.gz SOPWVGTVPILHRB-JTQLQIEISA-N -1 0 321.399 -0.480 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000845543034 805712920 /nfs/dbraw/zinc/71/29/20/805712920.db2.gz CYXDQGJAHYSQNU-UHFFFAOYSA-N -1 0 316.358 -0.027 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000845536424 805710853 /nfs/dbraw/zinc/71/08/53/805710853.db2.gz ZIBAIWUFNLOYKQ-MNOVXSKESA-N -1 0 301.343 -0.357 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000845534600 805711054 /nfs/dbraw/zinc/71/10/54/805711054.db2.gz IEZHUTXLPOMHLN-ZDUSSCGKSA-N -1 0 301.343 -0.355 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@]1(CO)C[C@@H](OCC)C1(C)C ZINC000845536496 805712049 /nfs/dbraw/zinc/71/20/49/805712049.db2.gz AJXNCFXOQGMFEL-YGRLFVJLSA-N -1 0 317.386 -0.081 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC1(N2CCOCC2)CC1 ZINC000845538858 805712081 /nfs/dbraw/zinc/71/20/81/805712081.db2.gz RPZCTEFZTORBAN-UHFFFAOYSA-N -1 0 300.359 -0.782 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@H]1CCCCS1(=O)=O ZINC000845539324 805712221 /nfs/dbraw/zinc/71/22/21/805712221.db2.gz DKPMVQUCEZNZRP-SECBINFHSA-N -1 0 307.372 -0.679 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000845543535 805713191 /nfs/dbraw/zinc/71/31/91/805713191.db2.gz JRDUTPUELMOFDF-UHFFFAOYSA-N -1 0 310.358 -0.681 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCNC(=O)OC(C)(C)C ZINC000845548644 805714141 /nfs/dbraw/zinc/71/41/41/805714141.db2.gz MBOGXMRHUWISGP-UHFFFAOYSA-N -1 0 304.347 -0.122 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000845548669 805714309 /nfs/dbraw/zinc/71/43/09/805714309.db2.gz LNMAZIXZFPAEMX-ZDUSSCGKSA-N -1 0 320.349 -0.063 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC000845550598 805715484 /nfs/dbraw/zinc/71/54/84/805715484.db2.gz OHVJZBZYFBLOEZ-VIFPVBQESA-N -1 0 312.326 -0.349 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)C(C)(C)CNC(C)=O ZINC000845570389 805719807 /nfs/dbraw/zinc/71/98/07/805719807.db2.gz YQLAVBIZROOWAN-UHFFFAOYSA-N -1 0 308.356 -0.842 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)C[C@H](OC)C(F)(F)F ZINC000845570222 805720000 /nfs/dbraw/zinc/72/00/00/805720000.db2.gz VCPFLZFTNDVTEH-LURJTMIESA-N -1 0 321.273 -0.037 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)CC2OCCO2)c1 ZINC000845882196 805730572 /nfs/dbraw/zinc/73/05/72/805730572.db2.gz CXLGGROCWGQOPE-UHFFFAOYSA-N -1 0 319.291 -0.366 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)c1 ZINC000845880501 805730934 /nfs/dbraw/zinc/73/09/34/805730934.db2.gz PTZAWCBEMQVEAS-MRVPVSSYSA-N -1 0 319.291 -0.714 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000846001099 805738670 /nfs/dbraw/zinc/73/86/70/805738670.db2.gz AYCOBBMUOURYIL-UHFFFAOYSA-N -1 0 316.335 -0.196 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1c(C)nn(C)c1Cl ZINC000846001818 805739003 /nfs/dbraw/zinc/73/90/03/805739003.db2.gz IBNZSSOVIMLXMZ-UHFFFAOYSA-N -1 0 310.763 -0.272 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000846001709 805739265 /nfs/dbraw/zinc/73/92/65/805739265.db2.gz GCTSHMWIEQNKLO-UHFFFAOYSA-N -1 0 301.324 -0.869 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1c(C)nn(CC)c1C ZINC000846003519 805739666 /nfs/dbraw/zinc/73/96/66/805739666.db2.gz FGOBQSGZNANMCA-UHFFFAOYSA-N -1 0 304.372 -0.134 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)CC1(OC)CCOCC1 ZINC000846003583 805739980 /nfs/dbraw/zinc/73/99/80/805739980.db2.gz ZGIYGQXMDLSDTN-UHFFFAOYSA-N -1 0 310.372 -0.831 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000846003730 805740328 /nfs/dbraw/zinc/74/03/28/805740328.db2.gz LZSJNLCPKMWZEN-UHFFFAOYSA-N -1 0 320.323 -0.279 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C(=O)OC)o1 ZINC000846003778 805740339 /nfs/dbraw/zinc/74/03/39/805740339.db2.gz NVDOQAFBJMCQCK-UHFFFAOYSA-N -1 0 306.296 -0.588 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C=C1CCC1 ZINC001298053888 805742484 /nfs/dbraw/zinc/74/24/84/805742484.db2.gz BEDYXTNZTONIQW-UHFFFAOYSA-N -1 0 321.337 -0.077 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)[C@H]2CCNC2=O)c1[O-] ZINC001298059357 805742926 /nfs/dbraw/zinc/74/29/26/805742926.db2.gz COVXEJYPZAPZKY-VIFPVBQESA-N -1 0 323.353 -0.910 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C)c2nccn2c1 ZINC000846133111 805745088 /nfs/dbraw/zinc/74/50/88/805745088.db2.gz WEIZRASRTKSDRC-UHFFFAOYSA-N -1 0 319.321 -0.235 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000846133220 805745282 /nfs/dbraw/zinc/74/52/82/805745282.db2.gz XSUXCJZASHEMQH-UHFFFAOYSA-N -1 0 321.337 -0.449 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cnn(CC(C)C)c1 ZINC000846132863 805745363 /nfs/dbraw/zinc/74/53/63/805745363.db2.gz FOFSLOJMQXQQSR-UHFFFAOYSA-N -1 0 311.342 -0.339 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccnc(OC(C)C)c1 ZINC000846132864 805745426 /nfs/dbraw/zinc/74/54/26/805745426.db2.gz FPTRPZORHJODEF-UHFFFAOYSA-N -1 0 324.337 -0.009 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000846132337 805745465 /nfs/dbraw/zinc/74/54/65/805745465.db2.gz YGDQKWRIGBCUJD-UHFFFAOYSA-N -1 0 309.278 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C1CC1 ZINC000846137194 805746286 /nfs/dbraw/zinc/74/62/86/805746286.db2.gz KWBUQKVZNFCIQV-VHSXEESVSA-N -1 0 307.306 -0.482 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000846133613 805746610 /nfs/dbraw/zinc/74/66/10/805746610.db2.gz WDYNCIAZZCSHEQ-SECBINFHSA-N -1 0 323.353 -0.024 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)CCO1 ZINC000846325479 805752034 /nfs/dbraw/zinc/75/20/34/805752034.db2.gz ADLFOIYJLVPYSK-GJMOJQLCSA-N -1 0 304.249 -0.978 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000846492536 805756627 /nfs/dbraw/zinc/75/66/27/805756627.db2.gz CGQBJRLGSZUZTO-UHFFFAOYSA-N -1 0 309.322 -0.765 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CCCN1C(=O)NC(C)C ZINC000846493587 805756980 /nfs/dbraw/zinc/75/69/80/805756980.db2.gz CBYYYASACMBGLS-JTQLQIEISA-N -1 0 300.359 -0.247 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC000846492259 805757200 /nfs/dbraw/zinc/75/72/00/805757200.db2.gz YYUNHQDTLMZKIU-UHFFFAOYSA-N -1 0 320.305 -0.834 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(CN2CCOCC2)cn1 ZINC000846491180 805757222 /nfs/dbraw/zinc/75/72/22/805757222.db2.gz NDOXSEPPAHMIQO-UHFFFAOYSA-N -1 0 322.365 -0.289 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccn(CCn2cccn2)n1 ZINC000846489622 805757252 /nfs/dbraw/zinc/75/72/52/805757252.db2.gz AGPANBAZSBQEAH-UHFFFAOYSA-N -1 0 306.326 -0.423 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CN1CCN(c2ccccn2)CC1 ZINC000846495525 805757876 /nfs/dbraw/zinc/75/78/76/805757876.db2.gz SBOOIQJIFBZUKZ-UHFFFAOYSA-N -1 0 321.381 -0.613 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCCc1ccccc1 ZINC000846495655 805758145 /nfs/dbraw/zinc/75/81/45/805758145.db2.gz IJIJTQPUXQKPMM-UHFFFAOYSA-N -1 0 307.350 -0.081 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000846496945 805758180 /nfs/dbraw/zinc/75/81/80/805758180.db2.gz INBMLYJWJIWNBV-NSHDSACASA-N -1 0 307.306 -0.040 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000846496374 805758395 /nfs/dbraw/zinc/75/83/95/805758395.db2.gz IROFUKDUTYSTNA-UHFFFAOYSA-N -1 0 318.355 -0.938 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000846496497 805758504 /nfs/dbraw/zinc/75/85/04/805758504.db2.gz BARXDZNABRGGCW-UHFFFAOYSA-N -1 0 312.326 -0.965 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000846498447 805759027 /nfs/dbraw/zinc/75/90/27/805759027.db2.gz XNARMCKMFCKIRP-UHFFFAOYSA-N -1 0 321.399 -0.624 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccccc1S(C)(=O)=O ZINC000846499625 805759464 /nfs/dbraw/zinc/75/94/64/805759464.db2.gz SZWPMYGBGNUEBD-UHFFFAOYSA-N -1 0 300.336 -0.112 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNC(=O)COc1ccccc1 ZINC000846499060 805759563 /nfs/dbraw/zinc/75/95/63/805759563.db2.gz KMSQPFOBEBEZNR-UHFFFAOYSA-N -1 0 309.322 -0.635 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000846497930 805759620 /nfs/dbraw/zinc/75/96/20/805759620.db2.gz YXOJLIUPCWASHJ-QPUJVOFHSA-N -1 0 301.368 -0.376 20 0 DBADRM CCON(C)C(=O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000846502045 805760799 /nfs/dbraw/zinc/76/07/99/805760799.db2.gz QJSKBUBPGJBGNM-UHFFFAOYSA-N -1 0 321.293 -0.424 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000846706437 805772583 /nfs/dbraw/zinc/77/25/83/805772583.db2.gz YTUCHVGHNZXRNO-ZDUSSCGKSA-N -1 0 319.379 -0.025 20 0 DBADRM C[C@H](O[C@@H](C)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1)C(=O)[O-] ZINC000846759270 805775863 /nfs/dbraw/zinc/77/58/63/805775863.db2.gz QJYFJZMMENMRDT-NRPADANISA-N -1 0 300.311 -0.036 20 0 DBADRM CCN1C[C@H](CNC(=O)C(=O)[N-]OCCSC)CC1=O ZINC000846741659 805774771 /nfs/dbraw/zinc/77/47/71/805774771.db2.gz MGQPXZIYWJQZML-VIFPVBQESA-N -1 0 303.384 -0.618 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)[C@@H]2CCOC2)c1[O-] ZINC001298296405 805781355 /nfs/dbraw/zinc/78/13/55/805781355.db2.gz UTBSEOXZKRWOMA-VMZHVLLKSA-N -1 0 308.338 -0.138 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1ccn(CC(=O)OCC)n1 ZINC000847248304 805788591 /nfs/dbraw/zinc/78/85/91/805788591.db2.gz NIFUFPDXHWKBIG-UHFFFAOYSA-N -1 0 313.314 -0.365 20 0 DBADRM C[C@H](C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001298335310 805788848 /nfs/dbraw/zinc/78/88/48/805788848.db2.gz QFKRHDIWYFVBRR-SGJFDWMWSA-N -1 0 321.337 -0.269 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(n1)OCCO2 ZINC000847646902 805810482 /nfs/dbraw/zinc/81/04/82/805810482.db2.gz FZDNARYHNUQSJI-QMMMGPOBSA-N -1 0 316.335 -0.053 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000847846101 805816097 /nfs/dbraw/zinc/81/60/97/805816097.db2.gz GVOSTYFTTXMNTC-UHFFFAOYSA-N -1 0 302.356 -0.718 20 0 DBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)COC[C@@H]2CCCO2)cn1 ZINC000847846700 805816185 /nfs/dbraw/zinc/81/61/85/805816185.db2.gz RGDORSJOMJAAMC-NSHDSACASA-N -1 0 317.367 -0.438 20 0 DBADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)cn1 ZINC000847844309 805816425 /nfs/dbraw/zinc/81/64/25/805816425.db2.gz LLATZLSDXTYMTB-ONEGZZNKSA-N -1 0 309.351 -0.187 20 0 DBADRM COCCCOCC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000847846724 805816649 /nfs/dbraw/zinc/81/66/49/805816649.db2.gz TWFJQXUQZJNUPF-UHFFFAOYSA-N -1 0 305.356 -0.581 20 0 DBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2cnn(CCF)c2)cn1 ZINC000847847754 805816660 /nfs/dbraw/zinc/81/66/60/805816660.db2.gz TWEMCTSZNVOOLO-UHFFFAOYSA-N -1 0 315.330 -0.154 20 0 DBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2cnn3c2CCC3)cn1 ZINC000847848820 805816732 /nfs/dbraw/zinc/81/67/32/805816732.db2.gz WEOLCXSFOYWMMD-UHFFFAOYSA-N -1 0 309.351 -0.177 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)O[C@H]1CNOC1 ZINC000848061436 805823816 /nfs/dbraw/zinc/82/38/16/805823816.db2.gz SOLODXKJHBSAFJ-ZETCQYMHSA-N -1 0 322.289 -0.310 20 0 DBADRM CC[C@@H](SC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996718 805819356 /nfs/dbraw/zinc/81/93/56/805819356.db2.gz OVYRDYGCECEWOZ-ZCFIWIBFSA-N -1 0 307.353 -0.280 20 0 DBADRM CC[C@](C)(OC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847997859 805819536 /nfs/dbraw/zinc/81/95/36/805819536.db2.gz CUFMNDZCIKHDRJ-JTQLQIEISA-N -1 0 305.312 -0.607 20 0 DBADRM COC1(CC(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CCC1 ZINC000847998432 805819888 /nfs/dbraw/zinc/81/98/88/805819888.db2.gz WDUFFKUFGGYENQ-UHFFFAOYSA-N -1 0 317.323 -0.462 20 0 DBADRM COC1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CCCC1 ZINC000847998063 805819949 /nfs/dbraw/zinc/81/99/49/805819949.db2.gz KOHKAMFEIGZVMH-UHFFFAOYSA-N -1 0 317.323 -0.462 20 0 DBADRM O=C(NC[C@@H](CO)Cc1ccncc1Cl)c1cc(=O)[nH][n-]1 ZINC000848020168 805821053 /nfs/dbraw/zinc/82/10/53/805821053.db2.gz VIFCYSWXXAVVIK-QMMMGPOBSA-N -1 0 310.741 -0.122 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C(=O)O1 ZINC000848078965 805825614 /nfs/dbraw/zinc/82/56/14/805825614.db2.gz YJWYFKTXTDCAIW-SVGQVSJJSA-N -1 0 304.262 -0.130 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)CCO1 ZINC000848595556 805841569 /nfs/dbraw/zinc/84/15/69/805841569.db2.gz YZERJIUEPHFJIF-NXEZZACHSA-N -1 0 313.310 -0.535 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCC[S@](=O)C(C)(C)C)C(=O)[O-] ZINC000848608049 805841884 /nfs/dbraw/zinc/84/18/84/805841884.db2.gz OVOPQUXJLHJUDJ-FHZGZLOMSA-N -1 0 306.384 -0.513 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)C(=O)[O-] ZINC000848608101 805842140 /nfs/dbraw/zinc/84/21/40/805842140.db2.gz QGSLQBCHZMXGMA-MRVPVSSYSA-N -1 0 322.383 -0.847 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCCC2(C1)OCCO2)C(=O)[O-] ZINC000848608355 805842310 /nfs/dbraw/zinc/84/23/10/805842310.db2.gz FDUZQUFHZDHBNG-SECBINFHSA-N -1 0 300.311 -0.811 20 0 DBADRM CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000848607915 805842417 /nfs/dbraw/zinc/84/24/17/805842417.db2.gz LZNJBYXKVDJMNX-SECBINFHSA-N -1 0 322.383 -0.990 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)Cc1nnc2ccccn21)C(=O)[O-] ZINC000848608455 805842487 /nfs/dbraw/zinc/84/24/87/805842487.db2.gz GEOXYLPWQSWVTE-SECBINFHSA-N -1 0 319.321 -0.475 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCc1ccnn1C)C(=O)[O-] ZINC000848612237 805842773 /nfs/dbraw/zinc/84/27/73/805842773.db2.gz YGGMZSAVFIHVTN-LLVKDONJSA-N -1 0 310.354 -0.448 20 0 DBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000848612225 805842945 /nfs/dbraw/zinc/84/29/45/805842945.db2.gz YDDAESPSKWIDSE-IUCAKERBSA-N -1 0 315.326 -0.830 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@H](c2nccn2C)C1)C(=O)[O-] ZINC000848610616 805843424 /nfs/dbraw/zinc/84/34/24/805843424.db2.gz VFZWKIHJUXJYSB-GHMZBOCLSA-N -1 0 322.365 -0.037 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NCc1nocc1C(=O)[O-] ZINC000848681536 805845335 /nfs/dbraw/zinc/84/53/35/805845335.db2.gz GZHYQGFCULRCBQ-UHFFFAOYSA-N -1 0 319.339 -0.182 20 0 DBADRM CS(=O)(=O)N1CCC(CC(=O)OCc2n[nH]c(=O)[n-]2)CC1 ZINC000848843620 805849336 /nfs/dbraw/zinc/84/93/36/805849336.db2.gz XWQGUJSOAGSYQN-UHFFFAOYSA-N -1 0 318.355 -0.385 20 0 DBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000848967679 805853083 /nfs/dbraw/zinc/85/30/83/805853083.db2.gz KSHBCRUGPIYUSO-UHFFFAOYSA-N -1 0 312.373 -0.599 20 0 DBADRM O=C(C[C@]1(C(=O)[O-])CCOC1)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000849181604 805858441 /nfs/dbraw/zinc/85/84/41/805858441.db2.gz REHKJGBBSDNDSK-IINYFYTJSA-N -1 0 312.322 -0.033 20 0 DBADRM O=C([O-])[C@H](O)[C@H]1CCCN(S(=O)(=O)c2c[nH]nc2Cl)C1 ZINC000849218650 805859662 /nfs/dbraw/zinc/85/96/62/805859662.db2.gz DWBOWDCHQXGJGP-POYBYMJQSA-N -1 0 323.758 -0.091 20 0 DBADRM COc1cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cnc1Cl ZINC000849221369 805860106 /nfs/dbraw/zinc/86/01/06/805860106.db2.gz NJKAIDMMTGZWIE-ZCFIWIBFSA-N -1 0 310.715 -0.533 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000849231394 805861363 /nfs/dbraw/zinc/86/13/63/805861363.db2.gz CSQJWKIQXWOZRB-ZYHUDNBSSA-N -1 0 321.351 -0.698 20 0 DBADRM CS(=O)(=O)NC1CC(NS(=O)(=O)c2ccccc2[O-])C1 ZINC000849393223 805866932 /nfs/dbraw/zinc/86/69/32/805866932.db2.gz QANHEUUYARCSPP-UHFFFAOYSA-N -1 0 320.392 -0.249 20 0 DBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c(=O)o1 ZINC000849986402 805882563 /nfs/dbraw/zinc/88/25/63/805882563.db2.gz SSXJUMTVBVNMTI-UHFFFAOYSA-N -1 0 311.319 -0.042 20 0 DBADRM CNC(=O)NCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001299792929 805901689 /nfs/dbraw/zinc/90/16/89/805901689.db2.gz PQQAGOJIXLMVJR-UHFFFAOYSA-N -1 0 315.355 -0.888 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C(N)=O ZINC000850736762 805901823 /nfs/dbraw/zinc/90/18/23/805901823.db2.gz RKBYQEDFTQKENG-BRPSZJMVSA-N -1 0 311.363 -0.025 20 0 DBADRM COC(=O)N1CC(NC(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000850787038 805902310 /nfs/dbraw/zinc/90/23/10/805902310.db2.gz RTPIBRNCIJDTKY-UHFFFAOYSA-N -1 0 322.277 -0.715 20 0 DBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000850735795 805902317 /nfs/dbraw/zinc/90/23/17/805902317.db2.gz BXMXSLFCSBYMHT-VIFPVBQESA-N -1 0 305.356 -0.497 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)Cn2cc(C3CC3)cn2)cn1 ZINC000850741058 805902406 /nfs/dbraw/zinc/90/24/06/805902406.db2.gz KJGSEURXQWADCP-UHFFFAOYSA-N -1 0 309.351 -0.001 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)CC1(n2cnnn2)CCOCC1 ZINC000850797662 805903623 /nfs/dbraw/zinc/90/36/23/805903623.db2.gz PBLDGDFTVOCZMU-UHFFFAOYSA-N -1 0 317.371 -0.577 20 0 DBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)n1 ZINC000850844296 805904621 /nfs/dbraw/zinc/90/46/21/805904621.db2.gz WYFPAEAFGLNQEL-SSDOTTSWSA-N -1 0 303.344 -0.723 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccccn1)[C@H]1CCOC1 ZINC000850847585 805905953 /nfs/dbraw/zinc/90/59/53/805905953.db2.gz GAPBHRMWOULXTG-GXSJLCMTSA-N -1 0 300.336 -0.062 20 0 DBADRM Cc1ccn2cnc(C(=O)[N-]S(=O)(=O)N3CCOCC3)c2c1 ZINC000850862177 805905962 /nfs/dbraw/zinc/90/59/62/805905962.db2.gz KGRDHHPVVMBSKE-UHFFFAOYSA-N -1 0 324.362 -0.050 20 0 DBADRM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)[C@@H]1CCCNC1=O ZINC001301648262 805906293 /nfs/dbraw/zinc/90/62/93/805906293.db2.gz AHJZUVKJHKZADA-GHMZBOCLSA-N -1 0 300.322 -0.069 20 0 DBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000850909832 805907143 /nfs/dbraw/zinc/90/71/43/805907143.db2.gz TVFSZNSGJBOBQJ-VIFPVBQESA-N -1 0 305.356 -0.070 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1c(Cl)cnn1C ZINC000850920443 805907998 /nfs/dbraw/zinc/90/79/98/805907998.db2.gz AJHGYTOHNBYKKF-UHFFFAOYSA-N -1 0 309.731 -0.304 20 0 DBADRM COC1(C(=O)[N-]S(=O)(=O)CC(N)=O)CCC(F)(F)CC1 ZINC000850939964 805908082 /nfs/dbraw/zinc/90/80/82/805908082.db2.gz FKRYIGCEWIBNTN-UHFFFAOYSA-N -1 0 314.310 -0.488 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccnn1C(F)F ZINC000850924193 805908131 /nfs/dbraw/zinc/90/81/31/805908131.db2.gz ZPEWCXVTTDCNMY-UHFFFAOYSA-N -1 0 311.266 -0.099 20 0 DBADRM CC(C)(C)OC(=O)[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C1CC1 ZINC000850940011 805908350 /nfs/dbraw/zinc/90/83/50/805908350.db2.gz GFHMJPBGXZBXJR-VIFPVBQESA-N -1 0 320.367 -0.714 20 0 DBADRM Cn1ncc2cc(C(=O)N3CCOC[C@@H]3c3nnn[n-]3)cnc21 ZINC001302136255 805908570 /nfs/dbraw/zinc/90/85/70/805908570.db2.gz CMNAFNFJHOTLCQ-SNVBAGLBSA-N -1 0 314.309 -0.305 20 0 DBADRM COCCCOCCC(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000850953205 805909030 /nfs/dbraw/zinc/90/90/30/805909030.db2.gz ZMPWJOKTDFVPJV-UHFFFAOYSA-N -1 0 305.356 -0.332 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)Cn1cc(C2CC2)cn1 ZINC000850951683 805909100 /nfs/dbraw/zinc/90/91/00/805909100.db2.gz ICBMUCWWFFMDPD-UHFFFAOYSA-N -1 0 309.351 -0.001 20 0 DBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCOCC1 ZINC000850942922 805909112 /nfs/dbraw/zinc/90/91/12/805909112.db2.gz MTDVUQBNPXMEHC-VIFPVBQESA-N -1 0 317.371 -0.577 20 0 DBADRM Cc1ccn([C@H](C)CC(=O)[N-]S(=O)(=O)c2cnnn2C)n1 ZINC000850972073 805909217 /nfs/dbraw/zinc/90/92/17/805909217.db2.gz KIHLEBTVERGOJU-SECBINFHSA-N -1 0 312.355 -0.224 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850959692 805909260 /nfs/dbraw/zinc/90/92/60/805909260.db2.gz YKSUKLPHBXTJGE-KGDYZURWSA-N -1 0 305.352 -0.478 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cnc2n1CCC2 ZINC000851026608 805911476 /nfs/dbraw/zinc/91/14/76/805911476.db2.gz RSDKBVNFTPKZPN-UHFFFAOYSA-N -1 0 309.351 -0.010 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001302937573 805912145 /nfs/dbraw/zinc/91/21/45/805912145.db2.gz NPEJKKJCXHISDU-VIFPVBQESA-N -1 0 316.387 -0.636 20 0 DBADRM O=C(N[C@@H]1Cc2cnccc2NC1=O)c1c[n-]n2c1nccc2=O ZINC001303215133 805914068 /nfs/dbraw/zinc/91/40/68/805914068.db2.gz VFBMYEQXTPGJAS-LLVKDONJSA-N -1 0 324.300 -0.289 20 0 DBADRM O=C([N-]S(=O)(=O)CC(F)F)[C@H]1COCCN1CC(F)F ZINC000851362476 805915283 /nfs/dbraw/zinc/91/52/83/805915283.db2.gz BUYGDOSAPWHDLW-ZCFIWIBFSA-N -1 0 322.280 -0.337 20 0 DBADRM COc1cc(CS(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)sn1 ZINC000851433656 805916960 /nfs/dbraw/zinc/91/69/60/805916960.db2.gz BKHAOBNYOBXHJM-QMMMGPOBSA-N -1 0 322.364 -0.487 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cn(C)nc1C ZINC000851500038 805917577 /nfs/dbraw/zinc/91/75/77/805917577.db2.gz DLVVXCOKKBJHIJ-UHFFFAOYSA-N -1 0 305.356 -0.550 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cc(C)nn1C ZINC000851499928 805917801 /nfs/dbraw/zinc/91/78/01/805917801.db2.gz AGIZPQSLQTZOHI-UHFFFAOYSA-N -1 0 305.356 -0.550 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)C(COC)COC ZINC000851500412 805917896 /nfs/dbraw/zinc/91/78/96/805917896.db2.gz QHFIWVDWRFGXHV-UHFFFAOYSA-N -1 0 310.372 -0.990 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCc1cnn(C)c1 ZINC000851500830 805918024 /nfs/dbraw/zinc/91/80/24/805918024.db2.gz XCKFEUIMOHMSAG-UHFFFAOYSA-N -1 0 319.383 -0.540 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)o1 ZINC000851503317 805918646 /nfs/dbraw/zinc/91/86/46/805918646.db2.gz UQVRYPDEIARDJD-UHFFFAOYSA-N -1 0 320.323 -0.901 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C1(C(=O)OC)CC1 ZINC000851501685 805918691 /nfs/dbraw/zinc/91/86/91/805918691.db2.gz FIHFYABEJIFCFX-UHFFFAOYSA-N -1 0 309.340 -0.953 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1C[C@]12CCOC2 ZINC000851503369 805918870 /nfs/dbraw/zinc/91/88/70/805918870.db2.gz WVJSWFXELTWEGT-PWSUYJOCSA-N -1 0 307.368 -0.480 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](OC)C1 ZINC000851504561 805919355 /nfs/dbraw/zinc/91/93/55/805919355.db2.gz YMJBQBFWMLNYQY-ZJUUUORDSA-N -1 0 309.384 -0.091 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@]1(C)CCCOC1 ZINC000851503376 805919530 /nfs/dbraw/zinc/91/95/30/805919530.db2.gz XCFMEVNEHZWJCS-LBPRGKRZSA-N -1 0 309.384 -0.090 20 0 DBADRM O=C([O-])[C@@]1(F)CN(C(=O)[C@H]2CCS(=O)(=O)N2)CC12CCC2 ZINC000851614675 805920304 /nfs/dbraw/zinc/92/03/04/805920304.db2.gz RDNRPQONPDGJPY-PELKAZGASA-N -1 0 320.342 -0.517 20 0 DBADRM CO[C@H](C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)[C@H]1CCOC1 ZINC000851603154 805920347 /nfs/dbraw/zinc/92/03/47/805920347.db2.gz JVQQXOZZCTVUIB-JUFZMCDQSA-N -1 0 313.350 -0.012 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](OC)[C@@H]2CCOC2)C1 ZINC000851607730 805920743 /nfs/dbraw/zinc/92/07/43/805920743.db2.gz RRTXFFZDFOIAQQ-SUNKGSAMSA-N -1 0 301.339 -0.012 20 0 DBADRM COCC(=O)N[C@H](C(=O)[N-]OCCCC(=O)OC)C(C)C ZINC001304130308 805920576 /nfs/dbraw/zinc/92/05/76/805920576.db2.gz ZDCLCMFBBBWPDP-LBPRGKRZSA-N -1 0 304.343 -0.225 20 0 DBADRM CS(=O)(=O)NCCNC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851595139 805920970 /nfs/dbraw/zinc/92/09/70/805920970.db2.gz NAEANJSYMGNXID-HWKANZROSA-N -1 0 302.308 -0.344 20 0 DBADRM CCn1c2ccc(C(=O)NCC(=O)[N-]OC)cc2[nH]c(=O)c1=O ZINC001304258604 805921166 /nfs/dbraw/zinc/92/11/66/805921166.db2.gz LREWZCRARYXODE-UHFFFAOYSA-N -1 0 320.305 -0.883 20 0 DBADRM CO[N-]C(=O)CNC(=O)COC1CN(C(=O)OC(C)(C)C)C1 ZINC001304257950 805921399 /nfs/dbraw/zinc/92/13/99/805921399.db2.gz ACNAEFMAVTYXIE-UHFFFAOYSA-N -1 0 317.342 -0.584 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NC[C@@H]1CCC=CO1)C2 ZINC000851681772 805924535 /nfs/dbraw/zinc/92/45/35/805924535.db2.gz ODGVVQVISUKLIN-JRPNMDOOSA-N -1 0 324.333 -0.645 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)O1 ZINC000851680788 805924788 /nfs/dbraw/zinc/92/47/88/805924788.db2.gz JVHMTRCLUVUWOK-SECBINFHSA-N -1 0 314.338 -0.375 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCC[C@@]23CCOC3=O)CCC1 ZINC000851687712 805926495 /nfs/dbraw/zinc/92/64/95/805926495.db2.gz XVOSDCUFFJSZBR-HNNXBMFYSA-N -1 0 324.333 -0.334 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc(C(=O)OC)cc1C ZINC001309915624 805941997 /nfs/dbraw/zinc/94/19/97/805941997.db2.gz GMVYBZGKCVRLGG-UHFFFAOYSA-N -1 0 316.335 -0.262 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC001311544271 805948109 /nfs/dbraw/zinc/94/81/09/805948109.db2.gz XEHDFGPTIAIYTH-UHFFFAOYSA-N -1 0 316.264 -0.120 20 0 DBADRM O=C(NCCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001311729212 805948162 /nfs/dbraw/zinc/94/81/62/805948162.db2.gz XONDUOJSDLVAAU-SNVBAGLBSA-N -1 0 322.369 -0.075 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H]1CC(=O)c2ccccc2O1 ZINC001313164046 805959736 /nfs/dbraw/zinc/95/97/36/805959736.db2.gz LIQBESYBUOKQNS-VIFPVBQESA-N -1 0 307.306 -0.003 20 0 DBADRM CNC(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852737443 805971794 /nfs/dbraw/zinc/97/17/94/805971794.db2.gz SRNDXAMXRYDCBJ-SVRRBLITSA-N -1 0 311.260 -0.672 20 0 DBADRM CNC(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852737440 805971992 /nfs/dbraw/zinc/97/19/92/805971992.db2.gz SRNDXAMXRYDCBJ-HTRCEHHLSA-N -1 0 311.260 -0.672 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC2=C(CCC(=O)N2)C1)C(=O)[O-] ZINC000852915674 805991060 /nfs/dbraw/zinc/99/10/60/805991060.db2.gz ZNYFDLYMXWPRAA-VIFPVBQESA-N -1 0 323.349 -0.438 20 0 DBADRM COC(=O)N(C)CCN(C)C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000852915123 805991483 /nfs/dbraw/zinc/99/14/83/805991483.db2.gz QLKGVYDUDHKTFJ-VIFPVBQESA-N -1 0 317.342 -0.678 20 0 DBADRM COCCN(CCF)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000852915403 805991566 /nfs/dbraw/zinc/99/15/66/805991566.db2.gz FCIFDWUEJRAQKM-ZDUSSCGKSA-N -1 0 304.318 -0.246 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC000852946555 805994201 /nfs/dbraw/zinc/99/42/01/805994201.db2.gz WZGNMDMFECCVDQ-JTQLQIEISA-N -1 0 316.379 -0.052 20 0 DBADRM CCC1N=NC(=S)N1CCNC(=O)[C@@](C)(OC)C(=O)[O-] ZINC000852946616 805994213 /nfs/dbraw/zinc/99/42/13/805994213.db2.gz YIMVHQSJJRDJDR-LLVKDONJSA-N -1 0 302.356 -0.265 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000852941517 805994270 /nfs/dbraw/zinc/99/42/70/805994270.db2.gz PBDGFJQMLMMAMK-NXEZZACHSA-N -1 0 321.399 -0.386 20 0 DBADRM NC(=O)c1ccc(/C=C\C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)o1 ZINC000852953722 805994710 /nfs/dbraw/zinc/99/47/10/805994710.db2.gz GTQFUEPCODLQKC-OXKVGUGDSA-N -1 0 320.301 -0.049 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC000852952957 805995304 /nfs/dbraw/zinc/99/53/04/805995304.db2.gz YEHJEXFWPNDDHP-JTQLQIEISA-N -1 0 312.322 -0.669 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000853069542 805996439 /nfs/dbraw/zinc/99/64/39/805996439.db2.gz PMKHZFGFYDONTE-SECBINFHSA-N -1 0 311.381 -0.486 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N1CC2(CCC2)[C@@H]1C(=O)[O-] ZINC000853069650 805997773 /nfs/dbraw/zinc/99/77/73/805997773.db2.gz FTBRCDWVAYYSHY-QMMMGPOBSA-N -1 0 311.381 -0.700 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cc(C)[nH]c(=O)c1)OC ZINC000853205170 806001240 /nfs/dbraw/zinc/00/12/40/806001240.db2.gz CDGDVPAOCLOVAI-JTQLQIEISA-N -1 0 318.351 -0.183 20 0 DBADRM CCn1cc(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)cn1 ZINC000853203426 806001248 /nfs/dbraw/zinc/00/12/48/806001248.db2.gz MYUONKLHPVILAY-JTQLQIEISA-N -1 0 305.356 -0.376 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)C[C@@H](COC)OC ZINC000853202492 806001253 /nfs/dbraw/zinc/00/12/53/806001253.db2.gz FZYJEFVVCMSUNX-SNVBAGLBSA-N -1 0 324.399 -0.600 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)/C=C\c1ccc(C(N)=O)o1 ZINC000853109508 805997974 /nfs/dbraw/zinc/99/79/74/805997974.db2.gz FMMVAWZLUMIACS-ALCCZGGFSA-N -1 0 301.324 -0.296 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)Cc1cncs1)OC ZINC000853206263 806001798 /nfs/dbraw/zinc/00/17/98/806001798.db2.gz NLOWMRMVXWDSQK-MRVPVSSYSA-N -1 0 308.381 -0.207 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cccnc1OC)OC ZINC000853205795 806002280 /nfs/dbraw/zinc/00/22/80/806002280.db2.gz HUAWEZWSRHLZTI-VIFPVBQESA-N -1 0 318.351 -0.189 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)Cc1ccc(F)cn1)OC ZINC000853207577 806002526 /nfs/dbraw/zinc/00/25/26/806002526.db2.gz DZVJRHYNUVONBH-NSHDSACASA-N -1 0 320.342 -0.129 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)OC ZINC000853209184 806002774 /nfs/dbraw/zinc/00/27/74/806002774.db2.gz IHLLKFSHBHNUPR-LNFKQOIKSA-N -1 0 319.379 -0.291 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)C[C@H](COC)OC ZINC000853210185 806003080 /nfs/dbraw/zinc/00/30/80/806003080.db2.gz SXUAVIVNHRDWKY-QMMMGPOBSA-N -1 0 306.344 -0.981 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@](C)(OC)C1CC1)OC ZINC000853209127 806003354 /nfs/dbraw/zinc/00/33/54/806003354.db2.gz HCSRLQJTSUJFSL-CMPLNLGQSA-N -1 0 309.384 -0.091 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@]12C[C@H]1COC2(C)C)OC ZINC000853209702 806003457 /nfs/dbraw/zinc/00/34/57/806003457.db2.gz QJEILTUYGKPKHX-CWSCBRNRSA-N -1 0 321.395 -0.091 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](OC)C1)OC ZINC000853211256 806003879 /nfs/dbraw/zinc/00/38/79/806003879.db2.gz RCMBMKIOURJTKO-HBNTYKKESA-N -1 0 309.384 -0.091 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cnn2c1CCC2)OC ZINC000853210544 806004502 /nfs/dbraw/zinc/00/45/02/806004502.db2.gz ZIYMIPHBQWIPKA-VIFPVBQESA-N -1 0 317.367 -0.450 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC(C)(C)[C@]1(O)CCCOC1 ZINC000854215158 806029358 /nfs/dbraw/zinc/02/93/58/806029358.db2.gz CNTKQIOQJAGCMH-AWEZNQCLSA-N -1 0 317.386 -0.079 20 0 DBADRM C[C@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000854610411 806045544 /nfs/dbraw/zinc/04/55/44/806045544.db2.gz HIWNGBPAGNZOJN-BWZBUEFSSA-N -1 0 323.309 -0.677 20 0 DBADRM Cc1cc(C(F)(F)F)nn1CC(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854611344 806045649 /nfs/dbraw/zinc/04/56/49/806045649.db2.gz UTVTUTJXCRZINL-UHFFFAOYSA-N -1 0 306.204 -0.017 20 0 DBADRM CCn1ncn([N-]C(=O)c2nnn(-c3ccn(C)n3)c2C)c1=O ZINC000854628037 806047327 /nfs/dbraw/zinc/04/73/27/806047327.db2.gz TWJUYQMPNYZPTD-UHFFFAOYSA-N -1 0 317.313 -0.929 20 0 DBADRM CCn1ncn([N-]C(=O)c2ccnc(N3CCCC3)n2)c1=O ZINC000854630221 806047437 /nfs/dbraw/zinc/04/74/37/806047437.db2.gz XWRCMCYSAJMSNW-UHFFFAOYSA-N -1 0 303.326 -0.161 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC3(C2)CCOC3)c1 ZINC000854672413 806050024 /nfs/dbraw/zinc/05/00/24/806050024.db2.gz CNOOSVMCXXSLGD-UHFFFAOYSA-N -1 0 312.347 -0.098 20 0 DBADRM CON1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000854861098 806064041 /nfs/dbraw/zinc/06/40/41/806064041.db2.gz DTAIANKCUSAICD-UHFFFAOYSA-N -1 0 305.294 -0.245 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)CN1CCC(=O)NC1=O ZINC000855133566 806070473 /nfs/dbraw/zinc/07/04/73/806070473.db2.gz IQNCMSSVQNCLRL-UHFFFAOYSA-N -1 0 301.299 -0.682 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)COCc1nncn1C ZINC000855131948 806070581 /nfs/dbraw/zinc/07/05/81/806070581.db2.gz IAWRYNWZZBDSHI-UHFFFAOYSA-N -1 0 300.315 -0.279 20 0 DBADRM O=C(Cn1nc2ccccn2c1=O)[N-]OCCN1CCCC1=O ZINC000856038070 806094155 /nfs/dbraw/zinc/09/41/55/806094155.db2.gz WTKXPXSECSJBHT-UHFFFAOYSA-N -1 0 319.321 -0.834 20 0 DBADRM CCC[C@@H](C(=O)[N-]OCCN1CCCC1=O)S(N)(=O)=O ZINC000856044030 806094280 /nfs/dbraw/zinc/09/42/80/806094280.db2.gz BOMIGVIWLSCBRH-VIFPVBQESA-N -1 0 307.372 -0.886 20 0 DBADRM CN(C)[C@H](C(=O)[N-]OCCN1CCCC1=O)c1cncn1C ZINC000856042702 806094812 /nfs/dbraw/zinc/09/48/12/806094812.db2.gz DCTOPJBDDOCKPG-ZDUSSCGKSA-N -1 0 309.370 -0.307 20 0 DBADRM O=C(Cn1nnc2c1CCCC2)[N-]OCCN1CCCC1=O ZINC000856043855 806095078 /nfs/dbraw/zinc/09/50/78/806095078.db2.gz LUWGDURTGPGWMR-UHFFFAOYSA-N -1 0 307.354 -0.173 20 0 DBADRM O=c1[n-]c(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)n[nH]1 ZINC000856555604 806101518 /nfs/dbraw/zinc/10/15/18/806101518.db2.gz FFWHOYINSUDBER-WDEREUQCSA-N -1 0 302.338 -0.139 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cnc2n1CCCCC2 ZINC000857021711 806107497 /nfs/dbraw/zinc/10/74/97/806107497.db2.gz ZHOPKMCTXHMPLX-UHFFFAOYSA-N -1 0 324.366 -0.143 20 0 DBADRM CC(C)(CO)O[N-]C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 ZINC000857284938 806113815 /nfs/dbraw/zinc/11/38/15/806113815.db2.gz MLAZJGPZKLPMLS-UHFFFAOYSA-N -1 0 307.306 -0.079 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000857097591 806108560 /nfs/dbraw/zinc/10/85/60/806108560.db2.gz BFCGKDIOVFHWIZ-SECBINFHSA-N -1 0 319.321 -0.017 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCCCC(=O)[O-])C[C@H]1CO ZINC000857100214 806108618 /nfs/dbraw/zinc/10/86/18/806108618.db2.gz ACUTYRZNEYGEDQ-MNOVXSKESA-N -1 0 300.355 -0.166 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C[C@@H]1CO ZINC000857253150 806113064 /nfs/dbraw/zinc/11/30/64/806113064.db2.gz HMZRIXLNAWGXQM-HFAKWTLXSA-N -1 0 312.366 -0.214 20 0 DBADRM O=C(N[C@H]1CS(=O)(=O)Cc2ccccc21)c1cc(=O)[nH][n-]1 ZINC000857726605 806124423 /nfs/dbraw/zinc/12/44/23/806124423.db2.gz CGSXUJJBHXINPB-NSHDSACASA-N -1 0 307.331 -0.352 20 0 DBADRM COCCS(=O)(=O)CC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000857793767 806128816 /nfs/dbraw/zinc/12/88/16/806128816.db2.gz CXFXUQWIEGCJAG-UHFFFAOYSA-N -1 0 302.308 -0.221 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC(=O)OC(C)C)on1 ZINC000858946205 806163601 /nfs/dbraw/zinc/16/36/01/806163601.db2.gz DIKPPBZYCNAKTO-UHFFFAOYSA-N -1 0 306.296 -0.309 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C2(C(N)=O)CCCC2)on1 ZINC000858991890 806168775 /nfs/dbraw/zinc/16/87/75/806168775.db2.gz AEPYVDUYNHARFU-UHFFFAOYSA-N -1 0 317.323 -0.462 20 0 DBADRM COC(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000859183235 806177439 /nfs/dbraw/zinc/17/74/39/806177439.db2.gz OZRSXJGEVSPRDR-UHFFFAOYSA-N -1 0 307.284 -0.905 20 0 DBADRM CCON(C)C(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000859208326 806179127 /nfs/dbraw/zinc/17/91/27/806179127.db2.gz MCNKNANADCEDAG-UHFFFAOYSA-N -1 0 321.311 -0.851 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCN(C)C(=O)OC)on1 ZINC000859225630 806179227 /nfs/dbraw/zinc/17/92/27/806179227.db2.gz RXKLIZAVDVUJJF-UHFFFAOYSA-N -1 0 321.311 -0.562 20 0 DBADRM CC(C)n1nccc1C(=O)N(C)CCNCc1nc(=O)n(C)[nH]1 ZINC001317588186 806195940 /nfs/dbraw/zinc/19/59/40/806195940.db2.gz FDZQINKZELVZLX-UHFFFAOYSA-N -1 0 321.385 -0.252 20 0 DBADRM CCOC(=O)C[C@H](O)COC(=O)c1cc(=O)[n-]c(OC)n1 ZINC000859641793 806202336 /nfs/dbraw/zinc/20/23/36/806202336.db2.gz QCGPDQRRORMKTN-ZETCQYMHSA-N -1 0 300.267 -0.338 20 0 DBADRM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)C(=O)Nc1ccccc1 ZINC001317604709 806203204 /nfs/dbraw/zinc/20/32/04/806203204.db2.gz IJCYQAXPUPSGFL-UHFFFAOYSA-N -1 0 318.337 -0.303 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)OCc2n[nH]c(=O)[n-]2)C1 ZINC000860041748 806216577 /nfs/dbraw/zinc/21/65/77/806216577.db2.gz OFQQZTWONLBCCA-ZETCQYMHSA-N -1 0 304.328 -0.775 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)N(C)CCNCc1nc(=O)n(C)[nH]1 ZINC001317658891 806218588 /nfs/dbraw/zinc/21/85/88/806218588.db2.gz POSFEOQEWLKOAK-UHFFFAOYSA-N -1 0 321.385 -0.761 20 0 DBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)c2ccccc2)C1=O ZINC000860446523 806231752 /nfs/dbraw/zinc/23/17/52/806231752.db2.gz SXJCUAVCDPLTGY-UHFFFAOYSA-N -1 0 311.319 -0.615 20 0 DBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)C2CCCCC2)C1=O ZINC000860508752 806234302 /nfs/dbraw/zinc/23/43/02/806234302.db2.gz NEFXVQRPMVZIRD-UHFFFAOYSA-N -1 0 317.367 -0.341 20 0 DBADRM COc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)c1 ZINC000860509804 806234314 /nfs/dbraw/zinc/23/43/14/806234314.db2.gz HIRZULYPGHGTMC-VIFPVBQESA-N -1 0 300.292 -0.392 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(C(=O)OC)cn1 ZINC000860546066 806235663 /nfs/dbraw/zinc/23/56/63/806235663.db2.gz XKWQUTCQMAZGDU-MRVPVSSYSA-N -1 0 319.339 -0.849 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@@H]1CNC(=O)c2ccccc21 ZINC000860545555 806235097 /nfs/dbraw/zinc/23/50/97/806235097.db2.gz FEGSJTSKWSNELN-JOYOIKCWSA-N -1 0 324.358 -0.252 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@H]1CNC(=O)c2ccccc21 ZINC000860545556 806235125 /nfs/dbraw/zinc/23/51/25/806235125.db2.gz FEGSJTSKWSNELN-SKDRFNHKSA-N -1 0 324.358 -0.252 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cn1cncc1C ZINC000860550773 806236470 /nfs/dbraw/zinc/23/64/70/806236470.db2.gz ZELYVTCIJPGCIU-UHFFFAOYSA-N -1 0 303.340 -0.409 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)oc1C ZINC000860567585 806236990 /nfs/dbraw/zinc/23/69/90/806236990.db2.gz JVQKWMUQHOVJSZ-UHFFFAOYSA-N -1 0 324.380 -0.082 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cn(C2CC2)nn1 ZINC000860550516 806237016 /nfs/dbraw/zinc/23/70/16/806237016.db2.gz USVCORJZGXPGFN-UHFFFAOYSA-N -1 0 316.339 -0.374 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccnn1 ZINC000860665241 806241676 /nfs/dbraw/zinc/24/16/76/806241676.db2.gz IEJRODXCWORQLF-JGVFFNPUSA-N -1 0 301.324 -0.266 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000860598337 806237634 /nfs/dbraw/zinc/23/76/34/806237634.db2.gz MNSTVCGMGYDBPF-NAKRPEOUSA-N -1 0 308.400 -0.015 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC2CCC2)O1 ZINC000860624531 806239103 /nfs/dbraw/zinc/23/91/03/806239103.db2.gz BJYWLUOAXZVEEY-ZJUUUORDSA-N -1 0 305.352 -0.047 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cnn(C2CC2)c1 ZINC000860613093 806239220 /nfs/dbraw/zinc/23/92/20/806239220.db2.gz SNLOMHJIERPITM-UHFFFAOYSA-N -1 0 317.367 -0.059 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1cn(C2CC2)nn1 ZINC000860642154 806240328 /nfs/dbraw/zinc/24/03/28/806240328.db2.gz FXTXBTNWCJITOV-SECBINFHSA-N -1 0 300.340 -0.148 20 0 DBADRM O=C([N-]S(=O)(=O)Cc1cccc(F)c1)[C@@H]1COC(=O)N1 ZINC000860651154 806240393 /nfs/dbraw/zinc/24/03/93/806240393.db2.gz IFCRESCWKCXSTC-VIFPVBQESA-N -1 0 302.283 -0.120 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1cn2c(n1)COCC2 ZINC000860645941 806240706 /nfs/dbraw/zinc/24/07/06/806240706.db2.gz XBEUSLYTYDBKLJ-VIFPVBQESA-N -1 0 315.351 -0.348 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccnn1 ZINC000860665243 806241604 /nfs/dbraw/zinc/24/16/04/806241604.db2.gz IEJRODXCWORQLF-SFYZADRCSA-N -1 0 301.324 -0.266 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cn2c(n1)COCC2 ZINC000860707160 806243480 /nfs/dbraw/zinc/24/34/80/806243480.db2.gz QHQDYEANWRPLEN-MRVPVSSYSA-N -1 0 303.340 -0.492 20 0 DBADRM Cc1ccsc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000860751216 806244742 /nfs/dbraw/zinc/24/47/42/806244742.db2.gz ZGLZJQUGRODKEI-SFYZADRCSA-N -1 0 318.376 -0.106 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1nn(C)cc1Cl ZINC000860758021 806244809 /nfs/dbraw/zinc/24/48/09/806244809.db2.gz AVBYVGDKXOOOBQ-UHFFFAOYSA-N -1 0 309.731 -0.304 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cn(C2CC2)nn1 ZINC000860759012 806244979 /nfs/dbraw/zinc/24/49/79/806244979.db2.gz WJNVCPAJNPLBMD-UHFFFAOYSA-N -1 0 302.312 -0.764 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)CC1 ZINC000860760041 806245149 /nfs/dbraw/zinc/24/51/49/806245149.db2.gz UOUVPCAHYGGKQH-RVBSWOSCSA-N -1 0 315.347 -0.295 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000860859152 806249629 /nfs/dbraw/zinc/24/96/29/806249629.db2.gz IZLMRINUEFPTRL-JTQLQIEISA-N -1 0 302.356 -0.863 20 0 DBADRM CCC[C@H](OCC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000860864534 806250310 /nfs/dbraw/zinc/25/03/10/806250310.db2.gz BFBMOSRZLJJXJJ-QMMMGPOBSA-N -1 0 319.339 -0.216 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)C(COC)COC)C1CC1 ZINC000860884639 806251097 /nfs/dbraw/zinc/25/10/97/806251097.db2.gz QBWNQYDZSBWFLO-NSHDSACASA-N -1 0 309.384 -0.091 20 0 DBADRM CCc1nocc1C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC ZINC000860890665 806251132 /nfs/dbraw/zinc/25/11/32/806251132.db2.gz FLHDTNJJNUYROG-MRVPVSSYSA-N -1 0 306.340 -0.042 20 0 DBADRM CCn1cc(C(=O)[N-]S(=O)(=O)C(COC)COC)c(C)n1 ZINC000860884957 806251172 /nfs/dbraw/zinc/25/11/72/806251172.db2.gz XWBGERKBQGTJOC-UHFFFAOYSA-N -1 0 319.383 -0.068 20 0 DBADRM CCO[C@@H](C(=O)[N-]S(=O)(=O)C(COC)COC)C1CC1 ZINC000860884638 806251240 /nfs/dbraw/zinc/25/12/40/806251240.db2.gz QBWNQYDZSBWFLO-LLVKDONJSA-N -1 0 309.384 -0.091 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12 ZINC001318022350 806252938 /nfs/dbraw/zinc/25/29/38/806252938.db2.gz LRSZUCDNPDCEOK-WEDXCCLWSA-N -1 0 321.424 -0.212 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)c2cc[n+]([O-])cc2)CO1 ZINC000861139431 806257240 /nfs/dbraw/zinc/25/72/40/806257240.db2.gz IAIJIUFRZIWXFJ-JTQLQIEISA-N -1 0 300.336 -0.053 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000861140671 806257402 /nfs/dbraw/zinc/25/74/02/806257402.db2.gz UGOIRHZDNREEAB-SECBINFHSA-N -1 0 322.383 -0.895 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)CO1 ZINC000861136824 806257510 /nfs/dbraw/zinc/25/75/10/806257510.db2.gz HTRHDKLGLKBCJN-HLTSFMKQSA-N -1 0 320.367 -0.967 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)CCCNC(=O)C2CC2)n[n-]1 ZINC001318062625 806257702 /nfs/dbraw/zinc/25/77/02/806257702.db2.gz HLUSKPGGAVMPPF-UHFFFAOYSA-N -1 0 315.355 -0.547 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000861139012 806258025 /nfs/dbraw/zinc/25/80/25/806258025.db2.gz NNNJWGIUBPAOFP-BDAKNGLRSA-N -1 0 304.368 -0.379 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCCn2cncn2)C1 ZINC000861726638 806285698 /nfs/dbraw/zinc/28/56/98/806285698.db2.gz LOMDSONRYGMNCZ-ZDUSSCGKSA-N -1 0 309.326 -0.892 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCO[C@@H](CCF)C1 ZINC000861718592 806282922 /nfs/dbraw/zinc/28/29/22/806282922.db2.gz NJKKYRLMANTVHU-JTQLQIEISA-N -1 0 304.318 -0.056 20 0 DBADRM COC(=O)C1=CC[C@@H](NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000861720729 806283557 /nfs/dbraw/zinc/28/35/57/806283557.db2.gz FUPSHUFBLDLMMO-MEBBXXQBSA-N -1 0 324.333 -0.312 20 0 DBADRM COC(=O)C1=CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000861724071 806284528 /nfs/dbraw/zinc/28/45/28/806284528.db2.gz NQGQXFNAAKWFEK-JMJZKYOTSA-N -1 0 324.333 -0.266 20 0 DBADRM CCOC(=O)C1=CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000861723477 806284618 /nfs/dbraw/zinc/28/46/18/806284618.db2.gz JNJFIDONOCBKOU-PSASIEDQSA-N -1 0 312.322 -0.409 20 0 DBADRM COC(=O)C1=CC[C@@H](NC(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC000861724067 806284624 /nfs/dbraw/zinc/28/46/24/806284624.db2.gz NOPVFTKKRROUPV-SNVBAGLBSA-N -1 0 312.322 -0.265 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000861817606 806298740 /nfs/dbraw/zinc/29/87/40/806298740.db2.gz ONQIXZHAABPLPZ-SNVBAGLBSA-N -1 0 317.305 -0.078 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2COCO2)cn1 ZINC000861983145 806307001 /nfs/dbraw/zinc/30/70/01/806307001.db2.gz OHSZFNWKXHZVRI-VIFPVBQESA-N -1 0 301.324 -0.444 20 0 DBADRM O=C(NN1CC(=O)NC1=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001318503343 806307886 /nfs/dbraw/zinc/30/78/86/806307886.db2.gz AWMNUYUZMMRGBD-UHFFFAOYSA-N -1 0 303.234 -0.774 20 0 DBADRM O=C([N-]N1CC(=O)NC1=O)c1cn(Cc2cccs2)nn1 ZINC001318765637 806326426 /nfs/dbraw/zinc/32/64/26/806326426.db2.gz QTYQSKRUPJSPFR-UHFFFAOYSA-N -1 0 306.307 -0.416 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000862841195 806338805 /nfs/dbraw/zinc/33/88/05/806338805.db2.gz JDIVPKSBZVACBU-UHFFFAOYSA-N -1 0 322.346 -0.291 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001319032854 806339828 /nfs/dbraw/zinc/33/98/28/806339828.db2.gz GFVHIZXIZFVNQF-CRCLSJGQSA-N -1 0 307.232 -0.416 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC(=O)C1CCCC1 ZINC000863060103 806344975 /nfs/dbraw/zinc/34/49/75/806344975.db2.gz BBKVZAHPHLKEMK-UHFFFAOYSA-N -1 0 303.322 -0.053 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)n1C ZINC000863409879 806356042 /nfs/dbraw/zinc/35/60/42/806356042.db2.gz NJKAMJWWOWTLKD-GXSJLCMTSA-N -1 0 317.367 -0.113 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)n1C ZINC000863409882 806356221 /nfs/dbraw/zinc/35/62/21/806356221.db2.gz NJKAMJWWOWTLKD-ONGXEEELSA-N -1 0 317.367 -0.113 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@H]2CCCOC2)C1 ZINC000863430003 806357268 /nfs/dbraw/zinc/35/72/68/806357268.db2.gz NHPDTLYFNHRSPB-JQWIXIFHSA-N -1 0 307.368 -0.082 20 0 DBADRM CC(=O)C[C@@H](NS(=O)(=O)c1c(Cl)cnn1C)C(=O)[O-] ZINC000863409061 806356623 /nfs/dbraw/zinc/35/66/23/806356623.db2.gz WXPMHAQUZNHIQM-SSDOTTSWSA-N -1 0 309.731 -0.216 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000863709292 806369900 /nfs/dbraw/zinc/36/99/00/806369900.db2.gz MXTBVDHOQYLBCA-ZCFIWIBFSA-N -1 0 313.276 -0.032 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)C1 ZINC000863748133 806370730 /nfs/dbraw/zinc/37/07/30/806370730.db2.gz WKYKYDPDJYTPBT-KNXALSJPSA-N -1 0 324.377 -0.069 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)C1 ZINC000863749405 806370832 /nfs/dbraw/zinc/37/08/32/806370832.db2.gz PQZIMNXWXMTBDB-SQYUCLKFSA-N -1 0 310.350 -0.319 20 0 DBADRM COC(=O)Cc1cccc(NC(=O)C(=O)NCc2nnn[n-]2)c1 ZINC001319369898 806372337 /nfs/dbraw/zinc/37/23/37/806372337.db2.gz RVIBGDXWVCTVHL-UHFFFAOYSA-N -1 0 318.293 -0.830 20 0 DBADRM CN(CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)CC(F)F ZINC000863809606 806376991 /nfs/dbraw/zinc/37/69/91/806376991.db2.gz FCEJKWWUCSMVRL-UHFFFAOYSA-N -1 0 314.296 -0.616 20 0 DBADRM C[C@H](C(=O)NCc1nc(=O)o[n-]1)n1nnc(-c2ccccc2)n1 ZINC001319441487 806379939 /nfs/dbraw/zinc/37/99/39/806379939.db2.gz APVAPUPYKRHUBZ-MRVPVSSYSA-N -1 0 315.293 -0.106 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)c2cc(C(=O)[O-])nn2C)CS1(=O)=O ZINC000864057813 806386314 /nfs/dbraw/zinc/38/63/14/806386314.db2.gz NJIUEAGKUFFAGN-JGVFFNPUSA-N -1 0 315.351 -0.186 20 0 DBADRM Cc1oc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1S(C)(=O)=O ZINC000864118769 806390078 /nfs/dbraw/zinc/39/00/78/806390078.db2.gz NARRJNDKTORJGY-QMMMGPOBSA-N -1 0 317.319 -0.083 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000864113368 806390399 /nfs/dbraw/zinc/39/03/99/806390399.db2.gz SHYLYMBQDSLZSU-BDAKNGLRSA-N -1 0 315.244 -0.108 20 0 DBADRM CS(=O)(=O)NCCNC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864109249 806390649 /nfs/dbraw/zinc/39/06/49/806390649.db2.gz OZMQMKDAVGGFQD-NSCUHMNNSA-N -1 0 302.308 -0.344 20 0 DBADRM CN1N=C(C(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])CCC1=O ZINC000864173720 806391196 /nfs/dbraw/zinc/39/11/96/806391196.db2.gz DAPCHODRMLYKNL-MWLCHTKSSA-N -1 0 311.338 -0.019 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)CCN2CCCS2(=O)=O)C1 ZINC000864162820 806391384 /nfs/dbraw/zinc/39/13/84/806391384.db2.gz NWXZVWWENRDJDK-SNVBAGLBSA-N -1 0 302.352 -0.298 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC000864208494 806391833 /nfs/dbraw/zinc/39/18/33/806391833.db2.gz GEDZZXCRMFMYHW-NRUUGDAUSA-N -1 0 316.379 -0.219 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)NC2CC(C(=O)[O-])C2)o1 ZINC000864208152 806392518 /nfs/dbraw/zinc/39/25/18/806392518.db2.gz ZZUNOKAFMGCCNQ-UHFFFAOYSA-N -1 0 316.335 -0.078 20 0 DBADRM CN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000864502139 806395394 /nfs/dbraw/zinc/39/53/94/806395394.db2.gz RJTZOZVKZKTISS-NXEZZACHSA-N -1 0 316.383 -0.283 20 0 DBADRM Cc1ccc2ncc(C(=O)NCc3nc(=O)o[n-]3)c(=O)n2c1 ZINC001319591773 806395362 /nfs/dbraw/zinc/39/53/62/806395362.db2.gz SFZVUQQWWJTFRR-UHFFFAOYSA-N -1 0 301.262 -0.391 20 0 DBADRM CCON(C)C(=O)CN=c1nn[n-]n1Cc1ccc(OC)cc1 ZINC000865908369 806427236 /nfs/dbraw/zinc/42/72/36/806427236.db2.gz NTYDGAAQHYNDKE-UHFFFAOYSA-N -1 0 320.353 -0.026 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H]1COCCO1 ZINC000866560295 806445305 /nfs/dbraw/zinc/44/53/05/806445305.db2.gz RPEFPQTZFMKOFV-VIFPVBQESA-N -1 0 300.402 -0.256 20 0 DBADRM COCCOCC[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000866598340 806445755 /nfs/dbraw/zinc/44/57/55/806445755.db2.gz ZIAJNIHTXOMORE-UHFFFAOYSA-N -1 0 300.402 -0.254 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(C(C)C)C1=O ZINC000866792124 806460810 /nfs/dbraw/zinc/46/08/10/806460810.db2.gz UHJNRLYTRXFBEV-LZVRBXCZSA-N -1 0 311.429 -0.052 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)nc1Cl ZINC001320279754 806468855 /nfs/dbraw/zinc/46/88/55/806468855.db2.gz YUXICGBIZDWCME-UHFFFAOYSA-N -1 0 307.719 -0.839 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H](COC)OC ZINC000867077517 806470977 /nfs/dbraw/zinc/47/09/77/806470977.db2.gz TYBRNYVTCCHZFE-SECBINFHSA-N -1 0 302.418 -0.010 20 0 DBADRM CCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)N=S(C)(C)=O ZINC000867106173 806471486 /nfs/dbraw/zinc/47/14/86/806471486.db2.gz XGNIVBKKXJBUQD-BDAKNGLRSA-N -1 0 300.402 -0.258 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)[C@H]1CCCO1 ZINC000867206904 806479633 /nfs/dbraw/zinc/47/96/33/806479633.db2.gz ODQLZAWKDVDUGP-RKDXNWHRSA-N -1 0 300.402 -0.258 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](CCOC)COC ZINC000867282874 806485233 /nfs/dbraw/zinc/48/52/33/806485233.db2.gz VISUNUKBKGQUFZ-XYZCENFISA-N -1 0 302.418 -0.010 20 0 DBADRM O=C(CN1CCCS1(=O)=O)NCCc1n[n-]c(=S)o1 ZINC001320429365 806489210 /nfs/dbraw/zinc/48/92/10/806489210.db2.gz QHYBCSDRPMJYKE-UHFFFAOYSA-N -1 0 306.369 -0.948 20 0 DBADRM CCN1C[C@@H]([N-]S(=O)(=O)N=S(=O)(CC)CC)CC1=O ZINC000867352894 806491347 /nfs/dbraw/zinc/49/13/47/806491347.db2.gz SFNJNXAXEUNFLL-VIFPVBQESA-N -1 0 311.429 -0.051 20 0 DBADRM Cn1ncc(C(=O)[N-]N2CC(=O)NC2=O)c1Br ZINC001320462573 806492028 /nfs/dbraw/zinc/49/20/28/806492028.db2.gz IKFFBGBDYMLLKQ-UHFFFAOYSA-N -1 0 302.088 -0.621 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@H]1C[C@@H]2CCCCN2C1=O ZINC000867378305 806493235 /nfs/dbraw/zinc/49/32/35/806493235.db2.gz UCYHXKRXZAFINS-IUCAKERBSA-N -1 0 309.413 -0.298 20 0 DBADRM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)N=[S@@](C)(=O)CC ZINC000867367671 806493265 /nfs/dbraw/zinc/49/32/65/806493265.db2.gz GJGBCWPOEXIBHA-MHIIWPAESA-N -1 0 300.402 -0.258 20 0 DBADRM O=[S@](CCNS(=O)(=O)c1ncc[n-]1)CC(F)(F)F ZINC000867498013 806503188 /nfs/dbraw/zinc/50/31/88/806503188.db2.gz HODAFHUXBPMMQH-QGZVFWFLSA-N -1 0 305.303 -0.001 20 0 DBADRM COC(=O)c1sccc1NC(=O)C(=O)[N-]OCC(N)=O ZINC001320604413 806508312 /nfs/dbraw/zinc/50/83/12/806508312.db2.gz XWZUKTLZWKRVFB-UHFFFAOYSA-N -1 0 301.280 -0.994 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]N2CCCC2=O)c(Br)n1 ZINC000867592750 806510152 /nfs/dbraw/zinc/51/01/52/806510152.db2.gz KDHBCTKZKKKURX-UHFFFAOYSA-N -1 0 323.172 -0.002 20 0 DBADRM CC(=O)N1CCc2cc(NC(=O)C(=O)[N-]OCC(N)=O)ccc21 ZINC001320618271 806510368 /nfs/dbraw/zinc/51/03/68/806510368.db2.gz IWUYVJYJOGUSML-UHFFFAOYSA-N -1 0 320.305 -0.933 20 0 DBADRM O=C1CCCN1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000867595046 806510371 /nfs/dbraw/zinc/51/03/71/806510371.db2.gz WVAAJYVDOUQGLX-UHFFFAOYSA-N -1 0 309.347 -0.212 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC001320728784 806521933 /nfs/dbraw/zinc/52/19/33/806521933.db2.gz QDTHPJPZWXLZAK-UHFFFAOYSA-N -1 0 301.324 -0.648 20 0 DBADRM Cn1ncc2cc(S(=O)(=O)[N-]N3CC(=O)N(C)C3=O)cnc21 ZINC001320730596 806522693 /nfs/dbraw/zinc/52/26/93/806522693.db2.gz XXZJVPFLAHCQFU-UHFFFAOYSA-N -1 0 324.322 -0.944 20 0 DBADRM CCN(CCNCc1nccn1C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001320782873 806527949 /nfs/dbraw/zinc/52/79/49/806527949.db2.gz UDXHJROUYAUGNZ-UHFFFAOYSA-N -1 0 321.341 -0.732 20 0 DBADRM NC(=O)NCCCCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC001320785911 806529307 /nfs/dbraw/zinc/52/93/07/806529307.db2.gz MZXRGORGVAHEMO-VIFPVBQESA-N -1 0 307.372 -0.550 20 0 DBADRM CCNC(=O)CNC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000867978926 806533561 /nfs/dbraw/zinc/53/35/61/806533561.db2.gz ZBQPINIPUFDCJV-LLVKDONJSA-N -1 0 324.303 -0.025 20 0 DBADRM CCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC000868334234 806544441 /nfs/dbraw/zinc/54/44/41/806544441.db2.gz JYQBPQARWMEUKK-WDEREUQCSA-N -1 0 322.365 -0.085 20 0 DBADRM CO[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000868350598 806543970 /nfs/dbraw/zinc/54/39/70/806543970.db2.gz YVCTZJMNBWDJOA-HBNTYKKESA-N -1 0 314.338 -0.676 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](OC)C2)C1 ZINC000868334966 806544675 /nfs/dbraw/zinc/54/46/75/806544675.db2.gz ACLUPYAIDSQVSC-QMTHXVAHSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)N[C@H]2CCNC2=O)C1 ZINC000868758034 806563973 /nfs/dbraw/zinc/56/39/73/806563973.db2.gz KEINBSCCZUOZBE-CPCISQLKSA-N -1 0 322.287 -0.273 20 0 DBADRM Cc1ncn(C)c1C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001321109925 806573822 /nfs/dbraw/zinc/57/38/22/806573822.db2.gz YELLJJBQTVNNDS-ONEGZZNKSA-N -1 0 305.342 -0.372 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)no1 ZINC001321135351 806577959 /nfs/dbraw/zinc/57/79/59/806577959.db2.gz OXUIJACOLNMQMX-PSASIEDQSA-N -1 0 311.294 -0.082 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)no1 ZINC001321135352 806578152 /nfs/dbraw/zinc/57/81/52/806578152.db2.gz OXUIJACOLNMQMX-SCZZXKLOSA-N -1 0 311.294 -0.082 20 0 DBADRM CC[S@](=O)CC(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869489999 806582872 /nfs/dbraw/zinc/58/28/72/806582872.db2.gz RCWOZKSRKKESQW-FQEVSTJZSA-N -1 0 317.285 -0.064 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C\C1CCOCC1 ZINC001321245538 806593710 /nfs/dbraw/zinc/59/37/10/806593710.db2.gz CAYYEKHVCFOWEW-IHWYPQMZSA-N -1 0 304.368 -0.449 20 0 DBADRM COCCn1ncc(C(=O)[N-]S(=O)(=O)N2CCCC2)c1C ZINC000870170121 806596098 /nfs/dbraw/zinc/59/60/98/806596098.db2.gz UMLXSIKWIRPHSY-UHFFFAOYSA-N -1 0 316.383 -0.092 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)/C=C\COC1CCOCC1 ZINC000870198584 806596258 /nfs/dbraw/zinc/59/62/58/806596258.db2.gz DANWIXVYNSPWLO-IHWYPQMZSA-N -1 0 307.368 -0.169 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cnn(CCOC)c1C ZINC000870199019 806597073 /nfs/dbraw/zinc/59/70/73/806597073.db2.gz HGERGPDDCKLGRH-UHFFFAOYSA-N -1 0 319.383 -0.066 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000870200315 806597302 /nfs/dbraw/zinc/59/73/02/806597302.db2.gz USMLWNRCAPSNCD-RQJHMYQMSA-N -1 0 321.273 -0.575 20 0 DBADRM Cc1cnc(F)c(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000870213804 806597504 /nfs/dbraw/zinc/59/75/04/806597504.db2.gz CJOPIUQLXDOEAR-UHFFFAOYSA-N -1 0 303.315 -0.164 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000870243840 806598285 /nfs/dbraw/zinc/59/82/85/806598285.db2.gz QUNOTLRPYBURSX-GMTAPVOTSA-N -1 0 309.384 -0.091 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)cn1 ZINC000870276158 806598342 /nfs/dbraw/zinc/59/83/42/806598342.db2.gz SUKQMVZBBWJFSP-LLVKDONJSA-N -1 0 317.367 -0.232 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000870278214 806598415 /nfs/dbraw/zinc/59/84/15/806598415.db2.gz SJNOOFTZETXIFA-QWRGUYRKSA-N -1 0 304.368 -0.378 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)N(C)CCOC)[C@@H]1CCOC1 ZINC000870236922 806598876 /nfs/dbraw/zinc/59/88/76/806598876.db2.gz YNURURLXNLIXMO-MNOVXSKESA-N -1 0 324.399 -0.633 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(C)=O)CC1 ZINC000870375665 806601184 /nfs/dbraw/zinc/60/11/84/806601184.db2.gz NLXNWLJNCUOMLT-JTQLQIEISA-N -1 0 304.368 -0.378 20 0 DBADRM CN(C)Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cn(C)nn1 ZINC000870645196 806604246 /nfs/dbraw/zinc/60/42/46/806604246.db2.gz VWTDMCKOVYTMBT-UHFFFAOYSA-N -1 0 323.378 -0.005 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NC[C@H](O)[C@H](C)O)c1 ZINC000871140689 806620435 /nfs/dbraw/zinc/62/04/35/806620435.db2.gz KZPOPLUJTYETIF-GWUBFIHGSA-N -1 0 301.364 -0.339 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NC[C@H](O)[C@@H](C)O)c1 ZINC000871140686 806620548 /nfs/dbraw/zinc/62/05/48/806620548.db2.gz KZPOPLUJTYETIF-GNGCRJPWSA-N -1 0 301.364 -0.339 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC001321416785 806624103 /nfs/dbraw/zinc/62/41/03/806624103.db2.gz SRUNCRZCGKFJPM-UHFFFAOYSA-N -1 0 316.335 -0.277 20 0 DBADRM COCCOCCS(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC000871776431 806642744 /nfs/dbraw/zinc/64/27/44/806642744.db2.gz KINASYGCSZRUSG-OUAUKWLOSA-N -1 0 307.368 -0.368 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC001321579084 806642934 /nfs/dbraw/zinc/64/29/34/806642934.db2.gz CXAWWICJAKKXSR-LLVKDONJSA-N -1 0 321.333 -0.077 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C(F)F)C2)C1 ZINC000872183781 806647413 /nfs/dbraw/zinc/64/74/13/806647413.db2.gz KAMXZBBTJQRWHF-JGVFFNPUSA-N -1 0 306.265 -0.588 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCO[C@H](C(F)F)C2)CC1 ZINC000872184014 806647491 /nfs/dbraw/zinc/64/74/91/806647491.db2.gz NMFGFJVUVZBLOH-VIFPVBQESA-N -1 0 320.292 -0.198 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCCn1cccn1 ZINC001321621991 806647817 /nfs/dbraw/zinc/64/78/17/806647817.db2.gz UJHMWJPCDBFWON-UHFFFAOYSA-N -1 0 301.310 -0.526 20 0 DBADRM COCCOCCS(=O)(=O)[N-]c1cc2n(n1)CCN(C)C2 ZINC000872411893 806657674 /nfs/dbraw/zinc/65/76/74/806657674.db2.gz YVLNQDWLUAAFEZ-UHFFFAOYSA-N -1 0 318.399 -0.267 20 0 DBADRM CS(=O)(=O)CCCNC(=O)C(=O)[N-]OCc1ccccc1 ZINC001321765707 806667803 /nfs/dbraw/zinc/66/78/03/806667803.db2.gz BWOFDZXKJPTLGC-UHFFFAOYSA-N -1 0 314.363 -0.215 20 0 DBADRM CN(CC(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12)S(C)(=O)=O ZINC000872767664 806672020 /nfs/dbraw/zinc/67/20/20/806672020.db2.gz BFPINGXBNMYZPX-JOYOIKCWSA-N -1 0 304.368 -0.266 20 0 DBADRM O=C([O-])CCCC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000872987602 806681288 /nfs/dbraw/zinc/68/12/88/806681288.db2.gz RJMICOHWQQKESM-UHFFFAOYSA-N -1 0 304.368 -0.122 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000873499841 806686273 /nfs/dbraw/zinc/68/62/73/806686273.db2.gz HXOGPYWAVYPCQL-JTQLQIEISA-N -1 0 303.384 -0.157 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000873514160 806687441 /nfs/dbraw/zinc/68/74/41/806687441.db2.gz NFAZVBHPDYTMNX-KXUCPTDWSA-N -1 0 305.352 -0.332 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000873513805 806687862 /nfs/dbraw/zinc/68/78/62/806687862.db2.gz AWJPCKGFOIDJJR-MNOVXSKESA-N -1 0 318.395 -0.132 20 0 DBADRM COC(=O)CCCCNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001321972618 806695080 /nfs/dbraw/zinc/69/50/80/806695080.db2.gz HBLWBWIZSZIVJU-UHFFFAOYSA-N -1 0 302.327 -0.327 20 0 DBADRM COc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1OC ZINC001321982469 806696972 /nfs/dbraw/zinc/69/69/72/806696972.db2.gz BAAFGIDCQNBYBA-UHFFFAOYSA-N -1 0 306.282 -0.528 20 0 DBADRM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC000874262684 806703487 /nfs/dbraw/zinc/70/34/87/806703487.db2.gz VESOIMCERCAUHK-NTZNESFSSA-N -1 0 308.338 -0.009 20 0 DBADRM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC000874262682 806703589 /nfs/dbraw/zinc/70/35/89/806703589.db2.gz VESOIMCERCAUHK-GMXVVIOVSA-N -1 0 308.338 -0.009 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000874408431 806707030 /nfs/dbraw/zinc/70/70/30/806707030.db2.gz HVHVTPKDTFRTCW-SNVBAGLBSA-N -1 0 302.327 -0.118 20 0 DBADRM CC[C@@H]1COCCN1CCNC(=O)c1cnc([O-])n(C)c1=O ZINC000874705771 806714373 /nfs/dbraw/zinc/71/43/73/806714373.db2.gz ZIWMWKPWYKSJSJ-SNVBAGLBSA-N -1 0 310.354 -0.674 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NCCS(=O)(=O)NC(C)C ZINC001322220987 806722705 /nfs/dbraw/zinc/72/27/05/806722705.db2.gz ZCYYQHVHROGTBY-UHFFFAOYSA-N -1 0 309.388 -0.866 20 0 DBADRM CCN1CCN(CC(=O)[N-]Oc2ccccc2F)C(=O)C1=O ZINC000874912794 806722935 /nfs/dbraw/zinc/72/29/35/806722935.db2.gz SJMHTMAMSYZGAR-UHFFFAOYSA-N -1 0 309.297 -0.074 20 0 DBADRM COc1ccc(C=O)c(OCC(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000874966237 806724908 /nfs/dbraw/zinc/72/49/08/806724908.db2.gz SYICCKFARJYXRP-CQSZACIVSA-N -1 0 311.290 -0.162 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCNc1cnccn1 ZINC001322566132 806754478 /nfs/dbraw/zinc/75/44/78/806754478.db2.gz RTLJUDGVYVUBGV-UHFFFAOYSA-N -1 0 314.309 -0.911 20 0 DBADRM CNS(=O)(=O)CCNC(=O)C(=O)[N-]OC1CCCCC1 ZINC001322667647 806767166 /nfs/dbraw/zinc/76/71/66/806767166.db2.gz XBXWRIRIMYGDDJ-UHFFFAOYSA-N -1 0 307.372 -0.968 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)[C@@H]1CCCCN(C)C1=O ZINC000875697951 806763249 /nfs/dbraw/zinc/76/32/49/806763249.db2.gz JAYHROINUWSBBI-SNVBAGLBSA-N -1 0 300.359 -0.294 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC001322658922 806765487 /nfs/dbraw/zinc/76/54/87/806765487.db2.gz PKRDEAFUXOFTGC-SNVBAGLBSA-N -1 0 313.354 -0.802 20 0 DBADRM Cc1nn2cccnc2c1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001322692223 806769304 /nfs/dbraw/zinc/76/93/04/806769304.db2.gz VVXCWZGRMOJTDE-VIFPVBQESA-N -1 0 314.309 -0.235 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCCC(=O)NC(C)(C)C ZINC001322740022 806773554 /nfs/dbraw/zinc/77/35/54/806773554.db2.gz JDNVDAGJFMGKJK-UHFFFAOYSA-N -1 0 303.359 -0.508 20 0 DBADRM C[C@H](O)CC(C)(C)CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001323143087 806828708 /nfs/dbraw/zinc/82/87/08/806828708.db2.gz GMXGSTZBLDKDCT-WDEREUQCSA-N -1 0 302.371 -0.016 20 0 DBADRM Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001323267141 806847375 /nfs/dbraw/zinc/84/73/75/806847375.db2.gz REOCYMDBJBEKKD-JQWIXIFHSA-N -1 0 322.365 -0.002 20 0 DBADRM Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001323267140 806847402 /nfs/dbraw/zinc/84/74/02/806847402.db2.gz REOCYMDBJBEKKD-CMPLNLGQSA-N -1 0 322.365 -0.002 20 0 DBADRM O=C(CCN1C(=O)c2ccccc2C1=O)NCc1nc(=O)o[n-]1 ZINC001323318122 806855267 /nfs/dbraw/zinc/85/52/67/806855267.db2.gz GNCSDBKHTUWRQF-UHFFFAOYSA-N -1 0 316.273 -0.335 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1cnn(CCOC)c1 ZINC001323373405 806864886 /nfs/dbraw/zinc/86/48/86/806864886.db2.gz LMGGJYOZPGYRKD-UHFFFAOYSA-N -1 0 300.315 -0.448 20 0 DBADRM Cn1ccnc1[C@](O)(CC(=O)[N-]OCC(N)=O)C(F)(F)F ZINC001323392343 806867234 /nfs/dbraw/zinc/86/72/34/806867234.db2.gz METFMMICCBNHLE-SECBINFHSA-N -1 0 310.232 -0.907 20 0 DBADRM CC[C@@H](C)n1nc(NC(=O)C(=O)NCc2nnn[n-]2)cc1C ZINC001323472198 806877805 /nfs/dbraw/zinc/87/78/05/806877805.db2.gz ODZOJZFGXZSJHB-SSDOTTSWSA-N -1 0 306.330 -0.069 20 0 DBADRM CO[C@H](CNC(=O)C(=O)[N-]OC1CCOCC1)C(F)(F)F ZINC001323493881 806880228 /nfs/dbraw/zinc/88/02/28/806880228.db2.gz CWLQGFFCSPIPGL-MRVPVSSYSA-N -1 0 314.260 -0.093 20 0 DBADRM COC[C@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)[C@H]1CCCO1 ZINC001323585266 806891797 /nfs/dbraw/zinc/89/17/97/806891797.db2.gz KCEXYSXSSBNHPR-GRYCIOLGSA-N -1 0 316.354 -0.619 20 0 DBADRM C[S@@](=N)(=O)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000879945935 806907148 /nfs/dbraw/zinc/90/71/48/806907148.db2.gz VNWMPKZFKQKKIZ-NRFANRHFSA-N -1 0 310.383 -0.268 20 0 DBADRM CCOC(=O)C[C@@H](C)CNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001323726817 806907575 /nfs/dbraw/zinc/90/75/75/806907575.db2.gz ASXLXDXXDOCWGL-SNVBAGLBSA-N -1 0 316.354 -0.081 20 0 DBADRM CC(C)C(=O)NCCCNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001323728639 806907923 /nfs/dbraw/zinc/90/79/23/806907923.db2.gz DACBEJXEBZNMAV-UHFFFAOYSA-N -1 0 315.370 -0.508 20 0 DBADRM Cc1ccnc2nc(C(=O)N(C)C[C@H](C)c3nnn[n-]3)nn21 ZINC001323860351 806923005 /nfs/dbraw/zinc/92/30/05/806923005.db2.gz UAVGCDNPGZOBNP-ZETCQYMHSA-N -1 0 301.314 -0.178 20 0 DBADRM O=C(c1cnc2nccnc2c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001323864809 806923110 /nfs/dbraw/zinc/92/31/10/806923110.db2.gz XNPMSUOQSZRYFG-JTQLQIEISA-N -1 0 312.293 -0.248 20 0 DBADRM C[C@H](CN(C)C(=O)CCCN1C(=O)CN(C)C1=O)c1nnn[n-]1 ZINC001323858468 806923260 /nfs/dbraw/zinc/92/32/60/806923260.db2.gz BMBWRLMCIZGLGU-SECBINFHSA-N -1 0 323.357 -0.564 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCCCC(N)=O)cn1 ZINC001323919239 806928042 /nfs/dbraw/zinc/92/80/42/806928042.db2.gz NRVTYGVNUYUHRS-UHFFFAOYSA-N -1 0 302.356 -0.246 20 0 DBADRM O=C([N-]S(=O)(=O)Cc1ccon1)c1cccn2c(=O)[nH]nc12 ZINC001323988635 806935308 /nfs/dbraw/zinc/93/53/08/806935308.db2.gz MLDUOGOZPAHWOV-UHFFFAOYSA-N -1 0 323.290 -0.317 20 0 DBADRM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001324071393 806942374 /nfs/dbraw/zinc/94/23/74/806942374.db2.gz PJJFUAUYVLHVHI-CMPLNLGQSA-N -1 0 316.354 -0.477 20 0 DBADRM Cn1nnc(C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)n1 ZINC000881446715 806942744 /nfs/dbraw/zinc/94/27/44/806942744.db2.gz LWWQTINFDKDPSQ-VIFPVBQESA-N -1 0 306.248 -0.507 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)CCCCNC(N)=O)CC1 ZINC001324193135 806950869 /nfs/dbraw/zinc/95/08/69/806950869.db2.gz PURPGFUGWZSMTO-UHFFFAOYSA-N -1 0 307.372 -0.550 20 0 DBADRM Cc1cc(C(F)(F)F)ncc1NC(=O)C(=O)[N-]OCC(N)=O ZINC001324171148 806948592 /nfs/dbraw/zinc/94/85/92/806948592.db2.gz MPISVQDXDCZPCY-UHFFFAOYSA-N -1 0 320.227 -0.120 20 0 DBADRM COc1ncc(NC(=O)C(=O)[N-]OCC2CC2)cc1C(N)=O ZINC001324257402 806957404 /nfs/dbraw/zinc/95/74/04/806957404.db2.gz QQUWXXHLENJTDX-UHFFFAOYSA-N -1 0 308.294 -0.415 20 0 DBADRM CC(C)(C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O ZINC001324267294 806958276 /nfs/dbraw/zinc/95/82/76/806958276.db2.gz ZKRGGSDLTCXZIH-UHFFFAOYSA-N -1 0 305.356 -0.437 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)/C=C/c1ccncn1 ZINC001324288440 806960103 /nfs/dbraw/zinc/96/01/03/806960103.db2.gz YOBVOGIABJKGLJ-NSCUHMNNSA-N -1 0 315.351 -0.401 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cnc(C(=O)OC)cn2)C1=O ZINC001324318638 806963314 /nfs/dbraw/zinc/96/33/14/806963314.db2.gz AIDNUPHCUDLZCX-CYBMUJFWSA-N -1 0 321.293 -0.372 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1 ZINC001324383115 806970006 /nfs/dbraw/zinc/97/00/06/806970006.db2.gz QFABOTOZGNTLRT-UHFFFAOYSA-N -1 0 311.294 -0.435 20 0 DBADRM C[C@H]([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)C(F)(F)F ZINC000882200067 806971209 /nfs/dbraw/zinc/97/12/09/806971209.db2.gz ZHXXUUFZUQOLLO-LURJTMIESA-N -1 0 312.335 -0.252 20 0 DBADRM O=C(NC[C@H]1CN(CCCF)CCO1)c1n[nH]c(=O)[n-]c1=O ZINC001035436328 814937748 /nfs/dbraw/zinc/93/77/48/814937748.db2.gz PSABNEZYPXKGMC-QMMMGPOBSA-N -1 0 315.305 -0.927 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001035477581 814953306 /nfs/dbraw/zinc/95/33/06/814953306.db2.gz IDLVLSNNDAQXMS-NOOOWODRSA-N -1 0 321.381 -0.127 20 0 DBADRM Cn1nc(C(=O)N[N-]C(=O)c2cnccn2)c2ccccc2c1=O ZINC000017192316 803749751 /nfs/dbraw/zinc/74/97/51/803749751.db2.gz UMQONLOEUDEOFL-UHFFFAOYSA-N -1 0 324.300 -0.202 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000035219824 803759245 /nfs/dbraw/zinc/75/92/45/803759245.db2.gz HNHDMIFUPIXVBQ-ZCFIWIBFSA-N -1 0 321.742 -0.268 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)[N-]NC(=O)C(C)C)cn1C ZINC000031666609 803759775 /nfs/dbraw/zinc/75/97/75/803759775.db2.gz PDYLDTWBLSKVAI-UHFFFAOYSA-N -1 0 302.356 -0.650 20 0 DBADRM CCNC(=O)CN(C)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000037838301 803760476 /nfs/dbraw/zinc/76/04/76/803760476.db2.gz YPEABSHUQZYZDX-UHFFFAOYSA-N -1 0 316.335 -0.153 20 0 DBADRM COCCN(C(=O)CCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000037828022 803760614 /nfs/dbraw/zinc/76/06/14/803760614.db2.gz LKWSKADPBAPRML-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM COCCN(C(=O)CCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000037828023 803760847 /nfs/dbraw/zinc/76/08/47/803760847.db2.gz LKWSKADPBAPRML-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)COCC(=O)[O-] ZINC000041073554 803763191 /nfs/dbraw/zinc/76/31/91/803763191.db2.gz KDLNUSBFOFBQOH-SNVBAGLBSA-N -1 0 322.383 -0.592 20 0 DBADRM C[C@H](NC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000042477680 803765416 /nfs/dbraw/zinc/76/54/16/803765416.db2.gz KDSQNFMZAAHWDG-QMMMGPOBSA-N -1 0 315.351 -0.351 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000090275058 803800162 /nfs/dbraw/zinc/80/01/62/803800162.db2.gz KKHIOXZLOPFXSZ-LKFCYVNXSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)C(=O)[O-] ZINC000090275733 803801013 /nfs/dbraw/zinc/80/10/13/803801013.db2.gz SQQUPHPXWCBNBH-CQFDHEJISA-N -1 0 302.352 -0.608 20 0 DBADRM O=C(NCCN1CCOCC1)c1n[n-]c2ccccc2c1=O ZINC000109932696 803806716 /nfs/dbraw/zinc/80/67/16/803806716.db2.gz OTEDHEZQNSHMLT-UHFFFAOYSA-N -1 0 302.334 -0.015 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCC[C@@H](C)C(=O)[O-] ZINC000128890440 803812659 /nfs/dbraw/zinc/81/26/59/803812659.db2.gz XJESRECHIYULOX-NXEZZACHSA-N -1 0 322.383 -0.041 20 0 DBADRM CS(=O)(=O)NCCNC(=O)Cc1ccccc1C(=O)[O-] ZINC000135834329 803817417 /nfs/dbraw/zinc/81/74/17/803817417.db2.gz LQHNZERXOMHBLA-UHFFFAOYSA-N -1 0 300.336 -0.407 20 0 DBADRM CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000141183584 803819365 /nfs/dbraw/zinc/81/93/65/803819365.db2.gz HBPNBHYQSJRBDY-QMMMGPOBSA-N -1 0 315.351 -0.305 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)n1 ZINC000316948479 803839251 /nfs/dbraw/zinc/83/92/51/803839251.db2.gz BCELIPWKWKRBAR-UHFFFAOYSA-N -1 0 304.310 -0.127 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000316932763 803839352 /nfs/dbraw/zinc/83/93/52/803839352.db2.gz WVKRSDGBMWELAN-WPRPVWTQSA-N -1 0 301.320 -0.642 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)ccc1F ZINC000316412421 803839512 /nfs/dbraw/zinc/83/95/12/803839512.db2.gz OFFOORBORKEVGU-HQJQHLMTSA-N -1 0 319.310 -0.502 20 0 DBADRM CS(=O)(=O)N1CCC([N-]S(=O)(=O)CC(F)(F)F)CC1 ZINC000355562853 803846831 /nfs/dbraw/zinc/84/68/31/803846831.db2.gz OZRJYRUUSGWZNY-UHFFFAOYSA-N -1 0 324.346 -0.108 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)CC(F)(F)F)C(=O)OC ZINC000355599837 803847038 /nfs/dbraw/zinc/84/70/38/803847038.db2.gz OJGZERCIAOWLEP-YFKPBYRVSA-N -1 0 307.246 -0.427 20 0 DBADRM COCCCCN1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001278851138 803848157 /nfs/dbraw/zinc/84/81/57/803848157.db2.gz PJVCRYATTUFNGZ-UHFFFAOYSA-N -1 0 312.370 -0.373 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC2CS(=O)(=O)C2)cc1 ZINC000380140992 803852367 /nfs/dbraw/zinc/85/23/67/803852367.db2.gz QABKPLMJTZEDCJ-UHFFFAOYSA-N -1 0 305.333 -0.540 20 0 DBADRM COc1ccc(S(=O)(=O)N2CC(C(N)=O)C2)cc1C(=O)[O-] ZINC000381958404 803852938 /nfs/dbraw/zinc/85/29/38/803852938.db2.gz BLIOVLIDPLUDIH-UHFFFAOYSA-N -1 0 314.319 -0.501 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000382549473 803855064 /nfs/dbraw/zinc/85/50/64/803855064.db2.gz FKDOFNSXMUGMJH-CYBMUJFWSA-N -1 0 317.363 -0.011 20 0 DBADRM COC[C@@](C)(O)CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000382549479 803855222 /nfs/dbraw/zinc/85/52/22/803855222.db2.gz FKDOFNSXMUGMJH-ZDUSSCGKSA-N -1 0 317.363 -0.011 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000386410925 803855467 /nfs/dbraw/zinc/85/54/67/803855467.db2.gz GATDUMNFRRYKNR-LBPRGKRZSA-N -1 0 311.319 -0.227 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)C1 ZINC000386472600 803855662 /nfs/dbraw/zinc/85/56/62/803855662.db2.gz PEDHAJQHIWCWQA-JFGNBEQYSA-N -1 0 306.384 -0.270 20 0 DBADRM C[C@]12CCC(=O)N1[C@H](C(=O)N1CC[C@](O)(C(=O)[O-])C1)CS2 ZINC000386479523 803855779 /nfs/dbraw/zinc/85/57/79/803855779.db2.gz QCZOXEKPVYUXJZ-AQUOVQTQSA-N -1 0 314.363 -0.512 20 0 DBADRM Cc1cc(OCC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)no1 ZINC000387865767 803856757 /nfs/dbraw/zinc/85/67/57/803856757.db2.gz MKZNAWCDGDWJQI-UHFFFAOYSA-N -1 0 307.266 -0.265 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000389938342 803858832 /nfs/dbraw/zinc/85/88/32/803858832.db2.gz BOSHOGKKCLHOJO-CQSZACIVSA-N -1 0 315.370 -0.013 20 0 DBADRM COC[C@@](C)(O)CNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000394600880 803860238 /nfs/dbraw/zinc/86/02/38/803860238.db2.gz PHFVVLGSMLITGP-LBPRGKRZSA-N -1 0 319.335 -0.234 20 0 DBADRM CN(C)c1ccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cn1 ZINC000396656755 803861167 /nfs/dbraw/zinc/86/11/67/803861167.db2.gz QNWZPEQKFQKNJQ-UHFFFAOYSA-N -1 0 306.322 -0.483 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000396729269 803861857 /nfs/dbraw/zinc/86/18/57/803861857.db2.gz CQYJAAANOJQBJZ-GFCCVEGCSA-N -1 0 304.302 -0.255 20 0 DBADRM C[C@H]1C[C@@H](CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCO1 ZINC000396712517 803861879 /nfs/dbraw/zinc/86/18/79/803861879.db2.gz INPXGSCYOHTELP-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cccc3c2OCCO3)CC1 ZINC000396749873 803862317 /nfs/dbraw/zinc/86/23/17/803862317.db2.gz TZVACYYDHBUZLI-UHFFFAOYSA-N -1 0 320.301 -0.173 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cc2cn3ccccc3n2)CC1 ZINC000396741857 803862514 /nfs/dbraw/zinc/86/25/14/803862514.db2.gz GJGICKNQOBKNPP-UHFFFAOYSA-N -1 0 316.317 -0.368 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)NC[C@H]2CCCS2)CC1 ZINC000396735728 803862553 /nfs/dbraw/zinc/86/25/53/803862553.db2.gz JBXACWJKZRAOFW-SECBINFHSA-N -1 0 301.368 -0.180 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)CCS(C)(=O)=O ZINC000397085578 803863741 /nfs/dbraw/zinc/86/37/41/803863741.db2.gz ITEQRAPMYJHPKF-RKDXNWHRSA-N -1 0 313.397 -0.454 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CCOC[C@H](O)C1 ZINC000399914581 803864050 /nfs/dbraw/zinc/86/40/50/803864050.db2.gz GQLVZUKNQREELW-SECBINFHSA-N -1 0 301.320 -0.233 20 0 DBADRM C[C@@H]1COCCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000399105099 803864302 /nfs/dbraw/zinc/86/43/02/803864302.db2.gz GPHLKQUXKYQKAR-WDEREUQCSA-N -1 0 306.384 -0.004 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2ncc[n-]2)C1 ZINC000400256514 803865109 /nfs/dbraw/zinc/86/51/09/803865109.db2.gz QJUWTBPLRMNBHN-MRVPVSSYSA-N -1 0 308.385 -0.888 20 0 DBADRM Cn1cc(S(=O)(=O)NCC[C@]2(O)CCOC2)cc1C(=O)[O-] ZINC000403124945 803866589 /nfs/dbraw/zinc/86/65/89/803866589.db2.gz OKLPZYPZBHYIBK-LBPRGKRZSA-N -1 0 318.351 -0.457 20 0 DBADRM CN(C)S(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000586063918 803877913 /nfs/dbraw/zinc/87/79/13/803877913.db2.gz IAVUQKXWBPBCCQ-SSDOTTSWSA-N -1 0 303.306 -0.064 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000650418673 803898443 /nfs/dbraw/zinc/89/84/43/803898443.db2.gz PTTTXRNNXMDWDI-ZPFDUUQYSA-N -1 0 319.379 -0.083 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cn1 ZINC000650392370 803898467 /nfs/dbraw/zinc/89/84/67/803898467.db2.gz BWEAPRRUCNSFKH-QMMMGPOBSA-N -1 0 317.323 -0.913 20 0 DBADRM COCCN(CCOC)S(=O)(=O)NC1([C@@H](C)C(=O)[O-])CC1 ZINC000650427044 803898519 /nfs/dbraw/zinc/89/85/19/803898519.db2.gz ZZBSSNXQVKYFLP-JTQLQIEISA-N -1 0 324.399 -0.331 20 0 DBADRM COc1ccc(F)cc1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC000650390194 803898536 /nfs/dbraw/zinc/89/85/36/803898536.db2.gz QPRJBYSAQVQPPN-QMMMGPOBSA-N -1 0 307.299 -0.052 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650428752 803898554 /nfs/dbraw/zinc/89/85/54/803898554.db2.gz SKHPQJKWLJBLBU-UWVGGRQHSA-N -1 0 314.367 -0.209 20 0 DBADRM COc1ncc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc1Cl ZINC000650389734 803898655 /nfs/dbraw/zinc/89/86/55/803898655.db2.gz YGSFABHPHSFTPC-MRVPVSSYSA-N -1 0 324.742 -0.143 20 0 DBADRM CCCN(C)S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000650428514 803898665 /nfs/dbraw/zinc/89/86/65/803898665.db2.gz MYVTWBCEMHSZCA-SECBINFHSA-N -1 0 302.356 -0.352 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000650418672 803898680 /nfs/dbraw/zinc/89/86/80/803898680.db2.gz PTTTXRNNXMDWDI-SRRSOLGSSA-N -1 0 319.379 -0.083 20 0 DBADRM Cn1nncc1S(=O)(=O)NCCc1cccc(C(=O)[O-])n1 ZINC000650418774 803898813 /nfs/dbraw/zinc/89/88/13/803898813.db2.gz DDAMYXKMTRUZQH-UHFFFAOYSA-N -1 0 311.323 -0.571 20 0 DBADRM Cc1ncsc1[C@H](NS(=O)(=O)c1cnnn1C)C(=O)[O-] ZINC000650418465 803898895 /nfs/dbraw/zinc/89/88/95/803898895.db2.gz OJCKMUFJOHWVER-ZETCQYMHSA-N -1 0 317.352 -0.316 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000650418445 803899008 /nfs/dbraw/zinc/89/90/08/803899008.db2.gz MNTZILXGVQSYCA-IONNQARKSA-N -1 0 304.328 -0.927 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)c1cc(C(=O)[O-])oc1C ZINC000689112791 803907137 /nfs/dbraw/zinc/90/71/37/803907137.db2.gz VVDOPYPOSMZOML-UHFFFAOYSA-N -1 0 304.324 -0.045 20 0 DBADRM CN(C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000694953768 803910746 /nfs/dbraw/zinc/91/07/46/803910746.db2.gz NRKTXLXKIAWHPP-ZJUUUORDSA-N -1 0 302.352 -0.012 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)C2(C(=O)[O-])CCC2)C1 ZINC000702995813 803915510 /nfs/dbraw/zinc/91/55/10/803915510.db2.gz KZYCTMMXUXATOL-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNS(=O)(=O)N2CCOCC2)C1(F)F ZINC000715252532 803923563 /nfs/dbraw/zinc/92/35/63/803923563.db2.gz UORWAOCHONPUEE-BQBZGAKWSA-N -1 0 300.283 -0.881 20 0 DBADRM CO[C@]1(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CCSC1 ZINC000719216193 803926158 /nfs/dbraw/zinc/92/61/58/803926158.db2.gz BJRDFPMZMBLEPA-LNLATYFQSA-N -1 0 304.368 -0.262 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000737615503 803934304 /nfs/dbraw/zinc/93/43/04/803934304.db2.gz ATLZJHXXZQPKCC-UWVGGRQHSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@@H](NC(=O)CN1CC[C@H](CNC(=O)[O-])C1)C(=O)N(C)C ZINC000738962942 803938550 /nfs/dbraw/zinc/93/85/50/803938550.db2.gz UWZRWWNYTOZEBD-NXEZZACHSA-N -1 0 300.359 -0.831 20 0 DBADRM C[C@H](CC(=O)NC1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000738895597 803938649 /nfs/dbraw/zinc/93/86/49/803938649.db2.gz NTCFAKGWGLTFJY-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 ZINC000738517001 803939236 /nfs/dbraw/zinc/93/92/36/803939236.db2.gz MMCVVOZMZDEGBN-UHFFFAOYSA-N -1 0 318.329 -0.081 20 0 DBADRM C[C@@H]1CN(C(=S)NCC(=O)N(C)C)CC[C@@H]1NC(=O)[O-] ZINC000739171040 803940098 /nfs/dbraw/zinc/94/00/98/803940098.db2.gz GIJVRKSWAIKSBL-BDAKNGLRSA-N -1 0 302.400 -0.073 20 0 DBADRM C[C@@H]1CN(C(=S)NCCS(C)(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739171153 803940515 /nfs/dbraw/zinc/94/05/15/803940515.db2.gz HBEGXZYIEVBXJF-BDAKNGLRSA-N -1 0 323.440 -0.117 20 0 DBADRM CC[C@H](O)CN1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739262669 803941246 /nfs/dbraw/zinc/94/12/46/803941246.db2.gz BBSKBOBERKVRLD-NWDGAFQWSA-N -1 0 315.370 -0.720 20 0 DBADRM CCN(CC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000739394391 803941423 /nfs/dbraw/zinc/94/14/23/803941423.db2.gz VDEQBNRYNNPKQO-SNVBAGLBSA-N -1 0 309.326 -0.359 20 0 DBADRM CCN(CCNC(=O)N1CCN(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000739427248 803941682 /nfs/dbraw/zinc/94/16/82/803941682.db2.gz QVIGQTDTGQVMJT-UHFFFAOYSA-N -1 0 315.374 -0.005 20 0 DBADRM COCCN(CC(=O)NCCN1CCOCC1(C)C)C(=O)[O-] ZINC000739819324 803942279 /nfs/dbraw/zinc/94/22/79/803942279.db2.gz XTLIKTINSCUYNM-UHFFFAOYSA-N -1 0 317.386 -0.160 20 0 DBADRM COCCN(CC(=O)N[C@@H](C)[C@@H](C)N1CCOCC1)C(=O)[O-] ZINC000739823202 803942859 /nfs/dbraw/zinc/94/28/59/803942859.db2.gz QESBXBNUXZWNKK-NWDGAFQWSA-N -1 0 317.386 -0.162 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000740006691 803943526 /nfs/dbraw/zinc/94/35/26/803943526.db2.gz QUZUTJMYNYTJOF-FIKIJFGZSA-N -1 0 317.411 -0.491 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)Nc1nc(C2CC2)no1 ZINC000740371001 803946149 /nfs/dbraw/zinc/94/61/49/803946149.db2.gz IMAHEAUWTABFPO-UHFFFAOYSA-N -1 0 309.282 -0.292 20 0 DBADRM CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1cc(=O)[nH][n-]1 ZINC000740928479 803949902 /nfs/dbraw/zinc/94/99/02/803949902.db2.gz NLYXUYZTMXTJBK-UHFFFAOYSA-N -1 0 309.347 -0.076 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1nccs1 ZINC001035555869 814980230 /nfs/dbraw/zinc/98/02/30/814980230.db2.gz MNGGHOIQHSRZTH-MRVPVSSYSA-N -1 0 324.366 -0.402 20 0 DBADRM CC(C)(C)C(=O)C(=O)N1CC(CCO)(NC(=O)c2cn[nH]n2)C1 ZINC001280560915 803980201 /nfs/dbraw/zinc/98/02/01/803980201.db2.gz VVCRTLBUMOBMFH-UHFFFAOYSA-N -1 0 323.353 -0.887 20 0 DBADRM CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000744059110 803986675 /nfs/dbraw/zinc/98/66/75/803986675.db2.gz NOTATDCHRQOZHD-UHFFFAOYSA-N -1 0 305.400 -0.004 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)CCCC(=O)OC ZINC000744143610 803987514 /nfs/dbraw/zinc/98/75/14/803987514.db2.gz VOZQJEWZLGYKRC-UHFFFAOYSA-N -1 0 322.383 -0.308 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000744241240 803988261 /nfs/dbraw/zinc/98/82/61/803988261.db2.gz DEEZUDIXYMYCBN-QMMMGPOBSA-N -1 0 303.340 -0.289 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000744238632 803988308 /nfs/dbraw/zinc/98/83/08/803988308.db2.gz JBHDOOIYYDWMRF-SNVBAGLBSA-N -1 0 305.400 -0.054 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)cc1 ZINC000744241375 803988378 /nfs/dbraw/zinc/98/83/78/803988378.db2.gz FOCICAUZBARWIZ-UHFFFAOYSA-N -1 0 315.351 -0.523 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000744242173 803988554 /nfs/dbraw/zinc/98/85/54/803988554.db2.gz VPICVOIMABXUOA-SNVBAGLBSA-N -1 0 305.400 -0.196 20 0 DBADRM CCOCC(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000744952397 803996757 /nfs/dbraw/zinc/99/67/57/803996757.db2.gz ZGNANSTYOMDMTF-UHFFFAOYSA-N -1 0 315.351 -0.304 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)[N-]S(=O)(=O)N2CCCC2)CC1 ZINC000747110218 804024202 /nfs/dbraw/zinc/02/42/02/804024202.db2.gz PKAMIRXDXYAFLS-UHFFFAOYSA-N -1 0 324.424 -0.342 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000747185832 804025745 /nfs/dbraw/zinc/02/57/45/804025745.db2.gz YFHVLVWVLFPDPM-UHFFFAOYSA-N -1 0 303.340 -0.217 20 0 DBADRM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747756900 804031044 /nfs/dbraw/zinc/03/10/44/804031044.db2.gz FLUBDJOQWCVJOI-GHMZBOCLSA-N -1 0 322.383 -0.736 20 0 DBADRM COCc1nc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cs1 ZINC000747747294 804031306 /nfs/dbraw/zinc/03/13/06/804031306.db2.gz QQFMELNLWVFMGU-UHFFFAOYSA-N -1 0 321.380 -0.404 20 0 DBADRM Cn1nc(C(=O)NCc2n[nH]c(=O)[n-]2)c2ccccc2c1=O ZINC000748419879 804038784 /nfs/dbraw/zinc/03/87/84/804038784.db2.gz UQVKTLATYOJMJB-UHFFFAOYSA-N -1 0 300.278 -0.313 20 0 DBADRM CC(C)(C)OC(=O)NCCOCC(=O)NCc1n[nH]c(=O)[n-]1 ZINC000748422391 804038939 /nfs/dbraw/zinc/03/89/39/804038939.db2.gz VSYUSGMWIIHYFP-UHFFFAOYSA-N -1 0 315.330 -0.332 20 0 DBADRM COCCO[N-]C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000748770541 804043672 /nfs/dbraw/zinc/04/36/72/804043672.db2.gz YOVHFRGMRHOSLI-GFCCVEGCSA-N -1 0 324.312 -0.060 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)COC[C@H]2CCCO2)cn1 ZINC000749220309 804047195 /nfs/dbraw/zinc/04/71/95/804047195.db2.gz VMZWKDUAGIAIDV-SNVBAGLBSA-N -1 0 317.367 -0.097 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCn2ccccc2=O)cn1 ZINC000749226094 804047627 /nfs/dbraw/zinc/04/76/27/804047627.db2.gz IQMNHIIQNQHOMO-UHFFFAOYSA-N -1 0 324.362 -0.040 20 0 DBADRM COC(=O)CC1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCC1 ZINC000750151527 804058013 /nfs/dbraw/zinc/05/80/13/804058013.db2.gz GIEKBTVYWQIWPS-UHFFFAOYSA-N -1 0 319.321 -0.327 20 0 DBADRM COCc1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)o1 ZINC000750726156 804064274 /nfs/dbraw/zinc/06/42/74/804064274.db2.gz PTFVJHPAXWUADH-UHFFFAOYSA-N -1 0 304.324 -0.267 20 0 DBADRM CCn1c(S)nnc1CCNC(=O)c1cnc([O-])n(C)c1=O ZINC000751538481 804076747 /nfs/dbraw/zinc/07/67/47/804076747.db2.gz PTSGWWANTJHQCM-UHFFFAOYSA-N -1 0 324.366 -0.642 20 0 DBADRM CCOCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000751830680 804081228 /nfs/dbraw/zinc/08/12/28/804081228.db2.gz HAHCXZBPOYNLGB-UHFFFAOYSA-N -1 0 322.383 -0.341 20 0 DBADRM C[C@H](O)C[C@H]1CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000752519817 804090426 /nfs/dbraw/zinc/09/04/26/804090426.db2.gz UPJCGDIZQDVGBZ-VHSXEESVSA-N -1 0 305.338 -0.167 20 0 DBADRM O=C(NC[C@@H]1CN(CCO)CCO1)c1ccc2oc(=O)nc-2[n-]1 ZINC001035578769 814990961 /nfs/dbraw/zinc/99/09/61/814990961.db2.gz ZHFZKGNLHWHUII-SECBINFHSA-N -1 0 322.321 -0.649 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccn(-c2ccccc2)n1 ZINC000753951835 804113526 /nfs/dbraw/zinc/11/35/26/804113526.db2.gz XPQAEXNJLHKPPU-UHFFFAOYSA-N -1 0 308.319 -0.583 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(Br)c1 ZINC000753951650 804113599 /nfs/dbraw/zinc/11/35/99/804113599.db2.gz WLTQEWJCBLRAEL-UHFFFAOYSA-N -1 0 321.152 -0.006 20 0 DBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)C2CCCC2)CC1=O ZINC000754742989 804125893 /nfs/dbraw/zinc/12/58/93/804125893.db2.gz GZRZWAAHNCBCLI-SNVBAGLBSA-N -1 0 318.395 -0.130 20 0 DBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)C1CCCC1 ZINC000754743611 804126451 /nfs/dbraw/zinc/12/64/51/804126451.db2.gz PTBOHKAUJIECLY-UHFFFAOYSA-N -1 0 310.397 -0.590 20 0 DBADRM C/C=C(/C)C(=O)N(C)C[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001281248912 804132957 /nfs/dbraw/zinc/13/29/57/804132957.db2.gz UKIFJFFTTGMBLF-DAGBOUIGSA-N -1 0 310.354 -0.061 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000755244627 804134301 /nfs/dbraw/zinc/13/43/01/804134301.db2.gz UACGXKLWMWCKMN-UHFFFAOYSA-N -1 0 313.281 -0.965 20 0 DBADRM CCN(CC)C(=O)CCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000755343384 804136018 /nfs/dbraw/zinc/13/60/18/804136018.db2.gz DNGILVWQOYNVSA-SNVBAGLBSA-N -1 0 310.358 -0.252 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)OC ZINC000755686943 804138139 /nfs/dbraw/zinc/13/81/39/804138139.db2.gz NAIQSOSVWDPUDG-JTQLQIEISA-N -1 0 322.383 -0.894 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)n1nnnc1C(C)(C)C ZINC000755708653 804140699 /nfs/dbraw/zinc/14/06/99/804140699.db2.gz QUGQPPHGEWDGBO-MRVPVSSYSA-N -1 0 318.403 -0.156 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000757328891 804161348 /nfs/dbraw/zinc/16/13/48/804161348.db2.gz FNFXYPMXWOZNJM-UHFFFAOYSA-N -1 0 321.380 -0.600 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCO2 ZINC000757316366 804161952 /nfs/dbraw/zinc/16/19/52/804161952.db2.gz LWAKACSUFKNXTE-UHFFFAOYSA-N -1 0 316.335 -0.032 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC000757323457 804162008 /nfs/dbraw/zinc/16/20/08/804162008.db2.gz KCONWPYJCXVFHM-LLVKDONJSA-N -1 0 321.399 -0.816 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)c1cnn(C)c1 ZINC000757320141 804162048 /nfs/dbraw/zinc/16/20/48/804162048.db2.gz QTFDCKDGKKYWQF-SECBINFHSA-N -1 0 304.372 -0.537 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCNC(=O)CC(C)C ZINC000757331599 804162082 /nfs/dbraw/zinc/16/20/82/804162082.db2.gz LFCIYWSMJRVUBK-UHFFFAOYSA-N -1 0 323.415 -0.522 20 0 DBADRM CCCc1cc(C(=O)[N-]S(=O)(=O)N(C)CCOC)[nH]n1 ZINC000757323511 804162306 /nfs/dbraw/zinc/16/23/06/804162306.db2.gz KKNSMLQOHHMRSN-UHFFFAOYSA-N -1 0 304.372 -0.085 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)COc1cc(C)on1 ZINC000757335416 804162802 /nfs/dbraw/zinc/16/28/02/804162802.db2.gz NWHZCGZKMSZMBB-UHFFFAOYSA-N -1 0 307.328 -0.699 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCCNC(=O)OC ZINC000757336322 804162839 /nfs/dbraw/zinc/16/28/39/804162839.db2.gz SWZIZJJWUYRKDF-UHFFFAOYSA-N -1 0 311.360 -0.938 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1C1CC1 ZINC000757334382 804163411 /nfs/dbraw/zinc/16/34/11/804163411.db2.gz YYRAJRSHCXTXNF-UHFFFAOYSA-N -1 0 316.383 -0.150 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cc1c(C)noc1C ZINC000757342655 804163484 /nfs/dbraw/zinc/16/34/84/804163484.db2.gz VFGCRPMKRRFDSS-UHFFFAOYSA-N -1 0 305.356 -0.227 20 0 DBADRM CN(CCCN1CCOCC1)S(=O)(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC001465116720 804166393 /nfs/dbraw/zinc/16/63/93/804166393.db2.gz SWPWVDJVAKEPIG-NWDGAFQWSA-N -1 0 320.411 -0.167 20 0 DBADRM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(=O)[nH][n-]1 ZINC000757915714 804171130 /nfs/dbraw/zinc/17/11/30/804171130.db2.gz BOBQEEHOVSXZFG-LBPRGKRZSA-N -1 0 302.334 -0.322 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758577545 804190385 /nfs/dbraw/zinc/19/03/85/804190385.db2.gz LBVSUBMPNMGSKF-VHSXEESVSA-N -1 0 315.351 -0.134 20 0 DBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758579510 804190724 /nfs/dbraw/zinc/19/07/24/804190724.db2.gz SCWLHCUINLVFMZ-SECBINFHSA-N -1 0 303.340 -0.277 20 0 DBADRM O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)c1cnccn1 ZINC000758581061 804191028 /nfs/dbraw/zinc/19/10/28/804191028.db2.gz ZSHLJFCEVAUZEP-VIFPVBQESA-N -1 0 301.324 -0.523 20 0 DBADRM COCC(=O)N(C)CC(=O)OCC(=O)[N-]OCc1ccccc1 ZINC000758802204 804195205 /nfs/dbraw/zinc/19/52/05/804195205.db2.gz YDFYIPZBQFMYPM-UHFFFAOYSA-N -1 0 324.333 -0.118 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000759170413 804200884 /nfs/dbraw/zinc/20/08/84/804200884.db2.gz ANSAQVUPOYPJIV-UHFFFAOYSA-N -1 0 319.339 -0.799 20 0 DBADRM Cc1c(CCC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cnn1C ZINC000759347042 804201568 /nfs/dbraw/zinc/20/15/68/804201568.db2.gz PQQCPSJEQPLVPR-NSHDSACASA-N -1 0 301.368 -0.104 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[N-]OCC(F)F ZINC000759330226 804201850 /nfs/dbraw/zinc/20/18/50/804201850.db2.gz ALLFRIDYLRJRRX-LURJTMIESA-N -1 0 312.298 -0.600 20 0 DBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C)s1 ZINC000759512642 804204134 /nfs/dbraw/zinc/20/41/34/804204134.db2.gz ZANADZHJYUWANP-INEUFUBQSA-N -1 0 304.353 -0.043 20 0 DBADRM COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000760180954 804221767 /nfs/dbraw/zinc/22/17/67/804221767.db2.gz KOSQAVOGXFAEON-UHFFFAOYSA-N -1 0 324.318 -0.280 20 0 DBADRM CC1(Cn2cc(C(=O)[N-]S(=O)(=O)CC3CC3)nn2)COC1 ZINC000760217510 804222728 /nfs/dbraw/zinc/22/27/28/804222728.db2.gz PNXNGCRTTUYWSR-UHFFFAOYSA-N -1 0 314.367 -0.216 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cncc(C(=O)OC)c1 ZINC000760216226 804222829 /nfs/dbraw/zinc/22/28/29/804222829.db2.gz HKWUIUJGRUSDOA-UHFFFAOYSA-N -1 0 301.324 -0.206 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1cnc2nccnc2c1 ZINC000760220973 804222952 /nfs/dbraw/zinc/22/29/52/804222952.db2.gz UHHZWEJINZGXBN-VIFPVBQESA-N -1 0 308.319 -0.127 20 0 DBADRM COC(=O)[C@H](CNC(=O)c1cc(=O)[nH][n-]1)Oc1ccc(F)cc1 ZINC000760843543 804229301 /nfs/dbraw/zinc/22/93/01/804229301.db2.gz LINMZRTWGWUBRR-NSHDSACASA-N -1 0 323.280 -0.262 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2cncnc2)c1Cl ZINC000761105373 804233402 /nfs/dbraw/zinc/23/34/02/804233402.db2.gz GUPAXXJFVNYJNY-UHFFFAOYSA-N -1 0 301.715 -0.018 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCc2ccccc21)[C@H]1CCNC(=O)C1 ZINC000761135717 804234408 /nfs/dbraw/zinc/23/44/08/804234408.db2.gz KGTWBBJUJNNYJF-NSHDSACASA-N -1 0 323.374 -0.064 20 0 DBADRM COc1c(F)cc(F)cc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000761133146 804235062 /nfs/dbraw/zinc/23/50/62/804235062.db2.gz XMRKMEGWHPVBPU-UHFFFAOYSA-N -1 0 312.236 -0.259 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000761733838 804241333 /nfs/dbraw/zinc/24/13/33/804241333.db2.gz KCKNTFXKKMVAFN-VIFPVBQESA-N -1 0 306.388 -0.520 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762131268 804244613 /nfs/dbraw/zinc/24/46/13/804244613.db2.gz UGBBROTWIQDZOS-VIFPVBQESA-N -1 0 308.356 -0.395 20 0 DBADRM CNC(=O)CC(=O)N1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001282030859 804244655 /nfs/dbraw/zinc/24/46/55/804244655.db2.gz DWXKTKUZAJUKKN-SECBINFHSA-N -1 0 323.353 -0.767 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000762148577 804246180 /nfs/dbraw/zinc/24/61/80/804246180.db2.gz JJKUSRFCISSJNC-UWVGGRQHSA-N -1 0 316.379 -0.520 20 0 DBADRM COc1ccc(C[C@H](CO)CNC(=O)c2cc(=O)[nH][n-]2)cc1O ZINC000762555143 804251064 /nfs/dbraw/zinc/25/10/64/804251064.db2.gz SBCBQZPPPXDEMW-JTQLQIEISA-N -1 0 321.333 -0.456 20 0 DBADRM CC(C)OC[C@H](CO)N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000762541894 804251195 /nfs/dbraw/zinc/25/11/95/804251195.db2.gz OXXHPBACYGSZLG-JTQLQIEISA-N -1 0 323.353 -0.685 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000763015402 804259357 /nfs/dbraw/zinc/25/93/57/804259357.db2.gz ZKXCTQANXWZJBN-KOLCDFICSA-N -1 0 306.384 -0.069 20 0 DBADRM COC(=O)[C@@H](CO)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000763285040 804265431 /nfs/dbraw/zinc/26/54/31/804265431.db2.gz ZTIXDBAHHGCRMJ-SECBINFHSA-N -1 0 323.330 -0.112 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763448101 804267506 /nfs/dbraw/zinc/26/75/06/804267506.db2.gz APPWKWQWKRDHAO-UWVGGRQHSA-N -1 0 322.383 -0.847 20 0 DBADRM COCCC1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCC1 ZINC000763457131 804268426 /nfs/dbraw/zinc/26/84/26/804268426.db2.gz OYUTUBBGOWTZEY-UHFFFAOYSA-N -1 0 306.384 -0.225 20 0 DBADRM CCCc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)[nH]n1 ZINC000763456684 804268981 /nfs/dbraw/zinc/26/89/81/804268981.db2.gz NYEKJOJAPLTSJP-UHFFFAOYSA-N -1 0 302.356 -0.442 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000763976802 804277098 /nfs/dbraw/zinc/27/70/98/804277098.db2.gz HKGGPSJLHAAUMX-BDAKNGLRSA-N -1 0 301.368 -0.005 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000764174400 804278957 /nfs/dbraw/zinc/27/89/57/804278957.db2.gz URONZYZDXQGFGG-IUCAKERBSA-N -1 0 318.351 -0.121 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C ZINC000764174353 804279245 /nfs/dbraw/zinc/27/92/45/804279245.db2.gz TVACFPLFSOJUGO-ZETCQYMHSA-N -1 0 303.340 -0.782 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC000764212395 804280670 /nfs/dbraw/zinc/28/06/70/804280670.db2.gz WPINNDXDQMOVJR-MNOVXSKESA-N -1 0 320.411 -0.028 20 0 DBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)CS(C)(=O)=O ZINC000764286250 804281842 /nfs/dbraw/zinc/28/18/42/804281842.db2.gz ASFPUHMPEGPLJQ-UHFFFAOYSA-N -1 0 301.386 -0.708 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000764764140 804288088 /nfs/dbraw/zinc/28/80/88/804288088.db2.gz TXFNBXHPQKFRAE-UHFFFAOYSA-N -1 0 311.363 -0.064 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(F)cc1 ZINC000764771305 804288216 /nfs/dbraw/zinc/28/82/16/804288216.db2.gz ZYIBRKGWJMLLFK-UHFFFAOYSA-N -1 0 318.326 -0.352 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1cnc2nccnc2c1 ZINC000765650321 804304550 /nfs/dbraw/zinc/30/45/50/804304550.db2.gz KWUUKXYADJERNC-UHFFFAOYSA-N -1 0 318.318 -0.123 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)COC[C@@H]1CCCO1 ZINC000765649879 804304613 /nfs/dbraw/zinc/30/46/13/804304613.db2.gz BYKXDGGGEVFOAL-VIFPVBQESA-N -1 0 303.340 -0.579 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765649385 804305110 /nfs/dbraw/zinc/30/51/10/804305110.db2.gz LZEHHWVPBPOJEL-UHFFFAOYSA-N -1 0 303.340 -0.186 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765663495 804305409 /nfs/dbraw/zinc/30/54/09/804305409.db2.gz RZBOLPKBFWEMGU-MRVPVSSYSA-N -1 0 316.383 -0.224 20 0 DBADRM CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765657923 804305436 /nfs/dbraw/zinc/30/54/36/804305436.db2.gz NCSFHPUVIBFFJM-UHFFFAOYSA-N -1 0 316.383 -0.223 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1 ZINC000765653802 804305722 /nfs/dbraw/zinc/30/57/22/804305722.db2.gz CQCPEZGKCXNCAU-UHFFFAOYSA-N -1 0 308.319 -0.362 20 0 DBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2ccnn2C)c1 ZINC000765654919 804305791 /nfs/dbraw/zinc/30/57/91/804305791.db2.gz ACVOZYDYBHZWEP-UHFFFAOYSA-N -1 0 322.346 -0.102 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCS(N)(=O)=O ZINC000765983434 804308919 /nfs/dbraw/zinc/30/89/19/804308919.db2.gz PNISVTRUTIBKQR-LURJTMIESA-N -1 0 319.305 -0.906 20 0 DBADRM Cc1nc[nH]c1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035622518 815007662 /nfs/dbraw/zinc/00/76/62/815007662.db2.gz VERMHBUTQQTLDV-SECBINFHSA-N -1 0 321.341 -0.827 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000766013533 804310159 /nfs/dbraw/zinc/31/01/59/804310159.db2.gz PODGLSIQWZXTMV-ZYHUDNBSSA-N -1 0 306.384 -0.006 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccccn1)c1cccn2c(=O)[nH]nc12 ZINC000766281104 804314569 /nfs/dbraw/zinc/31/45/69/804314569.db2.gz ITLTUZPPWYNCIZ-UHFFFAOYSA-N -1 0 319.302 -0.051 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1cccn2c(=O)[nH]nc12 ZINC000766274033 804315370 /nfs/dbraw/zinc/31/53/70/804315370.db2.gz GIMVWQPCUWMMAO-UHFFFAOYSA-N -1 0 311.323 -0.495 20 0 DBADRM CCCc1nc(C)c(C(=O)[N-]S(=O)(=O)CC(N)=O)s1 ZINC000766911504 804320636 /nfs/dbraw/zinc/32/06/36/804320636.db2.gz WJJLGBMQUUQRET-UHFFFAOYSA-N -1 0 305.381 -0.051 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)C1=NN(CC(C)C)C(=O)CC1 ZINC000766874921 804321071 /nfs/dbraw/zinc/32/10/71/804321071.db2.gz SREZLMWPMQFHTE-UHFFFAOYSA-N -1 0 319.383 -0.287 20 0 DBADRM COc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766920545 804321477 /nfs/dbraw/zinc/32/14/77/804321477.db2.gz HHINPQUUTIHVSE-UHFFFAOYSA-N -1 0 314.363 -0.096 20 0 DBADRM CCC(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766916672 804321666 /nfs/dbraw/zinc/32/16/66/804321666.db2.gz NMRGISMDGKCPLB-UHFFFAOYSA-N -1 0 313.335 -0.420 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CNC(=O)CCC1CCCC1 ZINC000766916095 804321964 /nfs/dbraw/zinc/32/19/64/804321964.db2.gz MKOJUBCMFCAJFW-UHFFFAOYSA-N -1 0 319.383 -0.996 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCCOCc1ccccc1 ZINC000766922372 804322300 /nfs/dbraw/zinc/32/23/00/804322300.db2.gz MVBXPFKEHKHYMY-UHFFFAOYSA-N -1 0 314.363 -0.085 20 0 DBADRM Cn1c(Cl)c(Cl)cc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766924466 804322539 /nfs/dbraw/zinc/32/25/39/804322539.db2.gz UTADNHCOEAXSPA-UHFFFAOYSA-N -1 0 314.150 -0.123 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000766924854 804322611 /nfs/dbraw/zinc/32/26/11/804322611.db2.gz PNZDGACBRDALEA-BQBZGAKWSA-N -1 0 318.301 0.000 20 0 DBADRM Cc1nc(C(=O)[N-]S(=O)(=O)CC(N)=O)nn1-c1ccccc1 ZINC000766923856 804322676 /nfs/dbraw/zinc/32/26/76/804322676.db2.gz QYZKYJCXQVRMAO-UHFFFAOYSA-N -1 0 323.334 -0.879 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(C(F)(F)F)nc1 ZINC000766923058 804322863 /nfs/dbraw/zinc/32/28/63/804322863.db2.gz GDOLGQMVYONPGN-UHFFFAOYSA-N -1 0 311.241 -0.355 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)COc1ccc(F)c(Cl)c1 ZINC000766925807 804323209 /nfs/dbraw/zinc/32/32/09/804323209.db2.gz DFCFLKWSPFNITP-UHFFFAOYSA-N -1 0 324.717 -0.211 20 0 DBADRM COc1cccc(OCC(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766927606 804323356 /nfs/dbraw/zinc/32/33/56/804323356.db2.gz NUAJDHSCRFYYTB-UHFFFAOYSA-N -1 0 302.308 -0.995 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCn1ccc2ccccc21 ZINC000766927454 804323397 /nfs/dbraw/zinc/32/33/97/804323397.db2.gz VJVWGTPLGFWYAY-UHFFFAOYSA-N -1 0 309.347 -0.037 20 0 DBADRM COc1ccc(CCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1F ZINC000766927870 804323527 /nfs/dbraw/zinc/32/35/27/804323527.db2.gz OLJATTFJUXTMOX-UHFFFAOYSA-N -1 0 318.326 -0.302 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CSc2ccccc21 ZINC000766925686 804323645 /nfs/dbraw/zinc/32/36/45/804323645.db2.gz RXGWAZRDFKLPSZ-MRVPVSSYSA-N -1 0 300.361 -0.193 20 0 DBADRM COc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)ccc1Cl ZINC000766929663 804324413 /nfs/dbraw/zinc/32/44/13/804324413.db2.gz PXVGKOAWNORMAB-UHFFFAOYSA-N -1 0 306.727 -0.107 20 0 DBADRM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766928373 804324469 /nfs/dbraw/zinc/32/44/69/804324469.db2.gz TZJZLQXNTNIJAH-ZCFIWIBFSA-N -1 0 322.289 -0.337 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)COCCc1ccccc1 ZINC000766928998 804324607 /nfs/dbraw/zinc/32/46/07/804324607.db2.gz JQANYHOHIAKRQO-UHFFFAOYSA-N -1 0 300.336 -0.823 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cnc(OC)nc1 ZINC000768210459 804337407 /nfs/dbraw/zinc/33/74/07/804337407.db2.gz OCWNLWUCDAGMSI-UHFFFAOYSA-N -1 0 319.339 -0.792 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cn(C)nc1C ZINC000768214198 804337426 /nfs/dbraw/zinc/33/74/26/804337426.db2.gz UCCSOACMHOZQQS-UHFFFAOYSA-N -1 0 305.356 -0.549 20 0 DBADRM CCc1c(C(=O)[N-]S(=O)(=O)CCOCCOC)cnn1C ZINC000768209938 804337478 /nfs/dbraw/zinc/33/74/78/804337478.db2.gz LNUJCAFTNRYRGO-UHFFFAOYSA-N -1 0 319.383 -0.295 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)COc1cc(C)on1 ZINC000768215582 804337616 /nfs/dbraw/zinc/33/76/16/804337616.db2.gz CPVRAOOUVJDELU-UHFFFAOYSA-N -1 0 322.339 -0.529 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H](C)OCC1CC1 ZINC000768217612 804337693 /nfs/dbraw/zinc/33/76/93/804337693.db2.gz BLPXDOPGEJGJHD-JTQLQIEISA-N -1 0 309.384 -0.090 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)OC ZINC000768218824 804337856 /nfs/dbraw/zinc/33/78/56/804337856.db2.gz JQHXVHAWZMDEOC-VIFPVBQESA-N -1 0 311.356 -0.705 20 0 DBADRM CCn1cc(C(=O)[N-]S(=O)(=O)CCOCCOC)cn1 ZINC000768213539 804338101 /nfs/dbraw/zinc/33/81/01/804338101.db2.gz VJRFDSVXUVQZRE-UHFFFAOYSA-N -1 0 305.356 -0.374 20 0 DBADRM CS[C@H](CO)[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000769340389 804348267 /nfs/dbraw/zinc/34/82/67/804348267.db2.gz JCKKICVNUSJGPC-VXNVDRBHSA-N -1 0 311.367 -0.700 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(C(=O)OC)no2)C1=O ZINC000769813873 804353202 /nfs/dbraw/zinc/35/32/02/804353202.db2.gz CTVJXWDUCNDXEU-GFCCVEGCSA-N -1 0 310.266 -0.174 20 0 DBADRM O=C([N-]S(=O)(=O)c1cccnc1)c1ccc2n[nH]c(=O)n2c1 ZINC000770092550 804357683 /nfs/dbraw/zinc/35/76/83/804357683.db2.gz PHNIVXFCUSEIES-UHFFFAOYSA-N -1 0 319.302 -0.051 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000770129044 804358738 /nfs/dbraw/zinc/35/87/38/804358738.db2.gz KROXBLXPWAFESZ-ZETCQYMHSA-N -1 0 314.323 -0.471 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccccn1)c1ccc2n[nH]c(=O)n2c1 ZINC000770133174 804359245 /nfs/dbraw/zinc/35/92/45/804359245.db2.gz MUOQRTUUUXCIGF-UHFFFAOYSA-N -1 0 319.302 -0.051 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1OC ZINC000770356876 804362467 /nfs/dbraw/zinc/36/24/67/804362467.db2.gz PVYQLPXVNFFDOF-UHFFFAOYSA-N -1 0 319.339 -0.640 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cnn2cccnc12 ZINC000770361803 804362604 /nfs/dbraw/zinc/36/26/04/804362604.db2.gz VSWRVRHPPIBSQN-UHFFFAOYSA-N -1 0 312.307 -0.648 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCN1CCCC1=O ZINC000770359168 804362612 /nfs/dbraw/zinc/36/26/12/804362612.db2.gz HLTSCYDHEIOSIB-UHFFFAOYSA-N -1 0 306.340 -0.992 20 0 DBADRM CCOC(=O)[C@@H](CO)NC(=O)c1n[n-]c2ccccc2c1=O ZINC000770429194 804363191 /nfs/dbraw/zinc/36/31/91/804363191.db2.gz BBZZROAQOSQUBN-SNVBAGLBSA-N -1 0 305.290 -0.011 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)CO[C@@H]2CCOC2)c1[O-] ZINC001282974502 804364797 /nfs/dbraw/zinc/36/47/97/804364797.db2.gz LJEUUQOTMFZDRT-SECBINFHSA-N -1 0 312.326 -0.925 20 0 DBADRM COc1nc(C(=O)OCC(=O)N2CCO[C@@H](C)C2)cc(=O)[n-]1 ZINC000770515433 804364920 /nfs/dbraw/zinc/36/49/20/804364920.db2.gz AWVMSQSSVPJFPW-QMMMGPOBSA-N -1 0 311.294 -0.405 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)COc2cccnc2)c1[O-] ZINC001282974868 804365514 /nfs/dbraw/zinc/36/55/14/804365514.db2.gz MQURJDVXGVOWLE-UHFFFAOYSA-N -1 0 319.321 -0.256 20 0 DBADRM COc1nc(C(=O)OCc2nc(N)nc(N(C)C)n2)cc(=O)[n-]1 ZINC000770516195 804365443 /nfs/dbraw/zinc/36/54/43/804365443.db2.gz DCACMTGLTFOOIS-UHFFFAOYSA-N -1 0 321.297 -0.619 20 0 DBADRM COc1nc(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)cc(=O)[n-]1 ZINC000770515362 804365462 /nfs/dbraw/zinc/36/54/62/804365462.db2.gz BZOZEVWOWWXMHA-LURJTMIESA-N -1 0 310.266 -0.712 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC000770618871 804366833 /nfs/dbraw/zinc/36/68/33/804366833.db2.gz PQFVGMLMEZGBNQ-GFCCVEGCSA-N -1 0 305.400 -0.052 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000770617004 804366985 /nfs/dbraw/zinc/36/69/85/804366985.db2.gz OKQZGSRWDPFBFO-UHFFFAOYSA-N -1 0 319.383 -0.382 20 0 DBADRM CCCCn1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)c(C)n1 ZINC000770911510 804371624 /nfs/dbraw/zinc/37/16/24/804371624.db2.gz DLXXJMAPERKFBA-UHFFFAOYSA-N -1 0 302.356 -0.463 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(CC(=O)[N-]OCc2ccccc2)C1 ZINC000772217681 804384165 /nfs/dbraw/zinc/38/41/65/804384165.db2.gz BQQSAEZEEPUONS-GFCCVEGCSA-N -1 0 313.379 -0.403 20 0 DBADRM Cc1ccn(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)c(=O)c1 ZINC000772227263 804385778 /nfs/dbraw/zinc/38/57/78/804385778.db2.gz SXHAYQBNVSTFOJ-JTQLQIEISA-N -1 0 304.310 -0.730 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCO2)cc1C(N)=O ZINC000772547993 804389538 /nfs/dbraw/zinc/38/95/38/804389538.db2.gz OXEVOXPOTGTOAB-JTQLQIEISA-N -1 0 315.351 -0.502 20 0 DBADRM CCOCCO[N-]C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000772695557 804390692 /nfs/dbraw/zinc/39/06/92/804390692.db2.gz KJLXQYRYZQJRRK-UHFFFAOYSA-N -1 0 317.367 -0.214 20 0 DBADRM CCOCCO[N-]C(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000772689814 804390806 /nfs/dbraw/zinc/39/08/06/804390806.db2.gz KGEIESQCDJQUEI-LLVKDONJSA-N -1 0 301.343 -0.802 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)[N-]OC1CCOCC1 ZINC000772719734 804391914 /nfs/dbraw/zinc/39/19/14/804391914.db2.gz VPQOZZYYPWSQNS-UHFFFAOYSA-N -1 0 324.399 -0.442 20 0 DBADRM NC(=O)CO[N-]C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000772931778 804393551 /nfs/dbraw/zinc/39/35/51/804393551.db2.gz QRFIJJPLOCVDSX-UHFFFAOYSA-N -1 0 313.364 -0.172 20 0 DBADRM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000772929223 804393846 /nfs/dbraw/zinc/39/38/46/804393846.db2.gz CVZBPQGPRPJDHW-LLVKDONJSA-N -1 0 305.338 -0.187 20 0 DBADRM COc1cc2c(cc1OC)CN(CC(=O)[N-]OCC(N)=O)CC2 ZINC000772935332 804394806 /nfs/dbraw/zinc/39/48/06/804394806.db2.gz HCUOCQCSKCGQIP-UHFFFAOYSA-N -1 0 323.349 -0.405 20 0 DBADRM Cc1c(CC(=O)[N-]OCC(N)=O)nnn1-c1ccc(C)cc1 ZINC000772933387 804394831 /nfs/dbraw/zinc/39/48/31/804394831.db2.gz NABDTLRCMQPQBZ-UHFFFAOYSA-N -1 0 303.322 -0.040 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)N(C)C(C)C)C1 ZINC000772979569 804395598 /nfs/dbraw/zinc/39/55/98/804395598.db2.gz HXLIDQZCDREGJA-SNVBAGLBSA-N -1 0 305.400 -0.054 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000773619020 804405397 /nfs/dbraw/zinc/40/53/97/804405397.db2.gz KZLJJKSUBCJQCC-UHFFFAOYSA-N -1 0 320.309 -0.315 20 0 DBADRM COc1cc(SC)ccc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000773729096 804407255 /nfs/dbraw/zinc/40/72/55/804407255.db2.gz YXCBEBSAMJDJJE-UHFFFAOYSA-N -1 0 313.335 -0.111 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C1=O ZINC000773943544 804409514 /nfs/dbraw/zinc/40/95/14/804409514.db2.gz ZHVTXWGKVCXGHA-MRVPVSSYSA-N -1 0 301.324 -0.425 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C1=O ZINC000773940955 804409696 /nfs/dbraw/zinc/40/96/96/804409696.db2.gz KGASEQXGRLWROS-VIFPVBQESA-N -1 0 314.367 -0.680 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)C1=O ZINC000774038608 804412425 /nfs/dbraw/zinc/41/24/25/804412425.db2.gz RQONOKDBSQGJKU-NXEZZACHSA-N -1 0 304.368 -0.520 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)C1=O ZINC000774037961 804412621 /nfs/dbraw/zinc/41/26/21/804412621.db2.gz MJMFYLSHRKYJAS-NSHDSACASA-N -1 0 323.374 -0.112 20 0 DBADRM CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)o1 ZINC000774110765 804415371 /nfs/dbraw/zinc/41/53/71/804415371.db2.gz SOWDPQQEBOWDSK-UHFFFAOYSA-N -1 0 302.308 -0.211 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCCCc1c[nH]nn1 ZINC000774134875 804415482 /nfs/dbraw/zinc/41/54/82/804415482.db2.gz OCISBJWQAYJFCW-UHFFFAOYSA-N -1 0 319.387 -0.543 20 0 DBADRM CC(C)Oc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)nc1 ZINC000774198560 804417951 /nfs/dbraw/zinc/41/79/51/804417951.db2.gz BTGKUQGVGWHLEY-UHFFFAOYSA-N -1 0 301.324 -0.586 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCCCc1c[nH]nn1 ZINC000774265613 804420068 /nfs/dbraw/zinc/42/00/68/804420068.db2.gz GDPIHHSDOVNGEM-SECBINFHSA-N -1 0 304.372 -0.002 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)nc1 ZINC000774370846 804421950 /nfs/dbraw/zinc/42/19/50/804421950.db2.gz QGNMIDOJGBOADJ-UHFFFAOYSA-N -1 0 312.351 -0.773 20 0 DBADRM CN(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccnn2C)ccn1 ZINC000774482569 804423985 /nfs/dbraw/zinc/42/39/85/804423985.db2.gz LVYKYBSFAYBQCY-UHFFFAOYSA-N -1 0 309.351 0.000 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(C(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000774901386 804432743 /nfs/dbraw/zinc/43/27/43/804432743.db2.gz IPCGVGVDAOMTJO-UHFFFAOYSA-N -1 0 316.270 -0.346 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)OCc1n[nH]c(=O)[n-]1)n1cccn1 ZINC000774934734 804434226 /nfs/dbraw/zinc/43/42/26/804434226.db2.gz WHYQSOSIHJDPMV-MRVPVSSYSA-N -1 0 308.298 -0.530 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)o1 ZINC000774917175 804434268 /nfs/dbraw/zinc/43/42/68/804434268.db2.gz DSHCYQYUIQABRH-UHFFFAOYSA-N -1 0 316.295 -0.289 20 0 DBADRM O=C(OCc1n[nH]c(=O)[n-]1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000774919503 804434302 /nfs/dbraw/zinc/43/43/02/804434302.db2.gz QIOHDLHJRSYWRF-YFKPBYRVSA-N -1 0 308.216 -0.036 20 0 DBADRM O=C(N[C@@H](CO)C(=O)OCc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000774935735 804434316 /nfs/dbraw/zinc/43/43/16/804434316.db2.gz RGRMITSOUHSTCJ-VIFPVBQESA-N -1 0 306.278 -0.656 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)OCc2n[nH]c(=O)[n-]2)C1 ZINC000774931114 804434345 /nfs/dbraw/zinc/43/43/45/804434345.db2.gz HEWXBKMTCVEIHP-QMMMGPOBSA-N -1 0 318.355 -0.385 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)OCc2n[nH]c(=O)[n-]2)CC1 ZINC000774909639 804434439 /nfs/dbraw/zinc/43/44/39/804434439.db2.gz SSGIPVRSEUOKJY-UHFFFAOYSA-N -1 0 318.355 -0.385 20 0 DBADRM O=C(Cc1ccc(O)cc1)NCC(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774941879 804434694 /nfs/dbraw/zinc/43/46/94/804434694.db2.gz UGOJFJZQPRAQGB-UHFFFAOYSA-N -1 0 306.278 -0.382 20 0 DBADRM O=C(NCCCNC(=O)C1CCCC1)c1n[nH]c(=O)[n-]c1=O ZINC001283162483 804436024 /nfs/dbraw/zinc/43/60/24/804436024.db2.gz JGMDOSOAWLUVKM-UHFFFAOYSA-N -1 0 309.326 -0.291 20 0 DBADRM CCCC(=O)NCCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001283166357 804437247 /nfs/dbraw/zinc/43/72/47/804437247.db2.gz DSHFNWYLBCXSMJ-UHFFFAOYSA-N -1 0 320.353 -0.506 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(=O)[N-]OC2CCCC2)cn1C ZINC000775269119 804439337 /nfs/dbraw/zinc/43/93/37/804439337.db2.gz BGLFOTOHDTUOJF-UHFFFAOYSA-N -1 0 316.383 -0.003 20 0 DBADRM CC(C)=CC(=O)NCCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001283175559 804440121 /nfs/dbraw/zinc/44/01/21/804440121.db2.gz ZDTUXKUEVIPCCA-UHFFFAOYSA-N -1 0 323.353 -0.196 20 0 DBADRM C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)CCC1=O ZINC000775536980 804443460 /nfs/dbraw/zinc/44/34/60/804443460.db2.gz WJIZJPKHRCSFTQ-VHSXEESVSA-N -1 0 304.368 -0.315 20 0 DBADRM COc1ncc(C=CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)cn1 ZINC000775845228 804447390 /nfs/dbraw/zinc/44/73/90/804447390.db2.gz NYQCHOODQOUMMC-ZMWSMAPVSA-N -1 0 317.309 -0.388 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccn(C(F)F)n1 ZINC000776094893 804448145 /nfs/dbraw/zinc/44/81/45/804448145.db2.gz RMLJURCMDSEPQV-UHFFFAOYSA-N -1 0 310.282 -0.415 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)C1=O ZINC000776123612 804449734 /nfs/dbraw/zinc/44/97/34/804449734.db2.gz VUVMPFHJMUPRFN-GHMZBOCLSA-N -1 0 300.322 -0.116 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H]1OC ZINC000776228902 804451518 /nfs/dbraw/zinc/45/15/18/804451518.db2.gz SXDJVEAHYGLRTA-FOGDFJRCSA-N -1 0 321.337 -0.620 20 0 DBADRM O=C(NCc1cccc(N2CCOCC2)n1)c1cc(=O)[nH][n-]1 ZINC000776269917 804453031 /nfs/dbraw/zinc/45/30/31/804453031.db2.gz KWUHGAGILCWOIJ-UHFFFAOYSA-N -1 0 303.322 -0.590 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCCC2(C1)OCCO2 ZINC000776357437 804454193 /nfs/dbraw/zinc/45/41/93/804454193.db2.gz MQUHUIPEUGTLPA-UHFFFAOYSA-N -1 0 300.340 -0.032 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)C(=O)[O-] ZINC000776492631 804456589 /nfs/dbraw/zinc/45/65/89/804456589.db2.gz VRIGDUVDWUTSTQ-ZCFIWIBFSA-N -1 0 307.715 -0.658 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])C2CCOCC2)cn1 ZINC000776525434 804456952 /nfs/dbraw/zinc/45/69/52/804456952.db2.gz LFIOHTPTRMWBTJ-JTQLQIEISA-N -1 0 303.340 -0.422 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)nc1Cl ZINC000776504798 804457182 /nfs/dbraw/zinc/45/71/82/804457182.db2.gz VGRDEXVCOOCGJV-HTRCEHHLSA-N -1 0 323.758 -0.159 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)OC2)C(=O)[O-] ZINC000776494762 804457318 /nfs/dbraw/zinc/45/73/18/804457318.db2.gz CKUPWPYWWCSANE-LDWIPMOCSA-N -1 0 315.303 -0.531 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)N1CCOCC1)C1CCOCC1 ZINC000776524747 804457340 /nfs/dbraw/zinc/45/73/40/804457340.db2.gz IPTONZPEYOKUES-JTQLQIEISA-N -1 0 308.356 -0.967 20 0 DBADRM CCOCCOCC(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000776562757 804458381 /nfs/dbraw/zinc/45/83/81/804458381.db2.gz FHXGVJRUHWPMMI-SECBINFHSA-N -1 0 301.372 -0.131 20 0 DBADRM COCCN(CCOC)S(=O)(=O)NCC[C@H](C)C(=O)[O-] ZINC000776589239 804459791 /nfs/dbraw/zinc/45/97/91/804459791.db2.gz IBEDFWGNDCDODI-JTQLQIEISA-N -1 0 312.388 -0.474 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1cn2c(n1)CCCC2 ZINC000776589577 804459835 /nfs/dbraw/zinc/45/98/35/804459835.db2.gz YRUTYLVPSGFFPT-UHFFFAOYSA-N -1 0 303.340 -0.401 20 0 DBADRM O=C([N-]OCCO)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000776582861 804459840 /nfs/dbraw/zinc/45/98/40/804459840.db2.gz AHMNHQAQGHKAKL-SECBINFHSA-N -1 0 320.392 -0.059 20 0 DBADRM C[C@@H](CCNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000776589575 804459970 /nfs/dbraw/zinc/45/99/70/804459970.db2.gz YRNVMORUTAYKCF-QMMMGPOBSA-N -1 0 301.386 -0.549 20 0 DBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CNS(=O)(=O)CCCOC ZINC000776628802 804460570 /nfs/dbraw/zinc/46/05/70/804460570.db2.gz NODQIJZXTTUPJD-LBPRGKRZSA-N -1 0 324.399 -0.298 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)N(C)C(C)C)C(=O)[O-])c1 ZINC000776642909 804460626 /nfs/dbraw/zinc/46/06/26/804460626.db2.gz ASCKHBVGEOTNHP-SNVBAGLBSA-N -1 0 304.372 -0.181 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)N(C)C2CC2)C(=O)[O-])c1 ZINC000776644334 804460880 /nfs/dbraw/zinc/46/08/80/804460880.db2.gz LACHGSMSRAMTIS-SNVBAGLBSA-N -1 0 302.356 -0.427 20 0 DBADRM Cn1cc(S(=O)(=O)N(CCO)CCC(=O)[O-])nc1Cl ZINC000776681010 804461573 /nfs/dbraw/zinc/46/15/73/804461573.db2.gz WQZJQEBLFBCHDM-UHFFFAOYSA-N -1 0 311.747 -0.469 20 0 DBADRM CC(C)c1nc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c[nH]1 ZINC000776685364 804461643 /nfs/dbraw/zinc/46/16/43/804461643.db2.gz PRYRSUOQIYAMAJ-HTQZYQBOSA-N -1 0 303.340 -0.258 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000776702290 804461706 /nfs/dbraw/zinc/46/17/06/804461706.db2.gz YVMOTSVBADTNLU-LURJTMIESA-N -1 0 311.747 -0.206 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ncn(C)c1Cl ZINC000776700457 804461850 /nfs/dbraw/zinc/46/18/50/804461850.db2.gz JWHVGDCTPUCKLD-ZCFIWIBFSA-N -1 0 311.747 -0.206 20 0 DBADRM CC[C@@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCS(C)(=O)=O ZINC000776715244 804462136 /nfs/dbraw/zinc/46/21/36/804462136.db2.gz AXELJZSANBSGSX-BDAKNGLRSA-N -1 0 315.413 -0.208 20 0 DBADRM O=C([O-])CCN(CCO)S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777910719 804477370 /nfs/dbraw/zinc/47/73/70/804477370.db2.gz IXFDOKBVTMPCIE-UHFFFAOYSA-N -1 0 317.367 -0.249 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000777949746 804477488 /nfs/dbraw/zinc/47/74/88/804477488.db2.gz JFCSVNYZTFKLJA-XCBNKYQSSA-N -1 0 315.351 -0.013 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777909549 804477740 /nfs/dbraw/zinc/47/77/40/804477740.db2.gz AZPKHTOVLYXALR-KOLCDFICSA-N -1 0 315.351 -0.498 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)NCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001283308820 804481323 /nfs/dbraw/zinc/48/13/23/804481323.db2.gz KPVKHGXVIRXGDQ-RKDXNWHRSA-N -1 0 311.342 -0.642 20 0 DBADRM Cc1cccc(CS(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)c1 ZINC000778820721 804488710 /nfs/dbraw/zinc/48/87/10/804488710.db2.gz QEDFNYSGTICASG-UHFFFAOYSA-N -1 0 324.362 -0.464 20 0 DBADRM Cc1cccc(CS(=O)(=O)[N-]C(=O)CS(C)(=O)=O)c1 ZINC000778817953 804489330 /nfs/dbraw/zinc/48/93/30/804489330.db2.gz SBMLBBHQALEXLY-UHFFFAOYSA-N -1 0 305.377 -0.014 20 0 DBADRM CN(CCOCCNC(=O)c1ccncc1)Cc1n[nH]c(=O)[n-]1 ZINC001283350679 804490178 /nfs/dbraw/zinc/49/01/78/804490178.db2.gz JMNBCEZXBCXMAI-UHFFFAOYSA-N -1 0 320.353 -0.216 20 0 DBADRM Cc1cnn(-c2c(C(=O)[N-]N3CN=NC3=O)c(C)nn2C)c1 ZINC000779400429 804496524 /nfs/dbraw/zinc/49/65/24/804496524.db2.gz TWRCPRDMZMQPRL-UHFFFAOYSA-N -1 0 302.298 -0.096 20 0 DBADRM CS(=O)(=O)NC1(CNC(=O)NCC(=O)[O-])CCCCC1 ZINC000780368832 804513370 /nfs/dbraw/zinc/51/33/70/804513370.db2.gz PUFDTPOUTHEPNY-UHFFFAOYSA-N -1 0 307.372 -0.378 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CCCNC(=O)C3CC3)C2)nn1 ZINC000780311572 804514006 /nfs/dbraw/zinc/51/40/06/804514006.db2.gz HGOFQGHLBXEZOU-UHFFFAOYSA-N -1 0 321.337 -0.334 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000780444425 804514590 /nfs/dbraw/zinc/51/45/90/804514590.db2.gz BHMUJCLNRLUAHG-AXFHLTTASA-N -1 0 307.368 -0.480 20 0 DBADRM C[C@H](NC(=O)NCc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000780392593 804514736 /nfs/dbraw/zinc/51/47/36/804514736.db2.gz MDKJIFGWJZEGRF-ZETCQYMHSA-N -1 0 301.324 -0.394 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CSCCS1 ZINC000780430688 804514848 /nfs/dbraw/zinc/51/48/48/804514848.db2.gz PHOXHERMKAMKNY-QMMMGPOBSA-N -1 0 314.454 -0.226 20 0 DBADRM C[C@@H](NC(=O)NCc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000780392589 804514990 /nfs/dbraw/zinc/51/49/90/804514990.db2.gz MDKJIFGWJZEGRF-SSDOTTSWSA-N -1 0 301.324 -0.394 20 0 DBADRM CCCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000780407725 804514998 /nfs/dbraw/zinc/51/49/98/804514998.db2.gz ZUOVWOPNFPPZAA-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM CCCS(=O)(=O)N1CCC(NC(=O)N(C)CC(=O)[O-])CC1 ZINC000780405741 804515158 /nfs/dbraw/zinc/51/51/58/804515158.db2.gz HBFLZDJBRSFKCH-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM CCCS(=O)(=O)N1CCC(NC(=O)NCC(=O)[O-])CC1 ZINC000780407672 804515424 /nfs/dbraw/zinc/51/54/24/804515424.db2.gz XTQWEPAUGCCTFK-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM CCCS(=O)(=O)N1CCC(NC(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000780407727 804515451 /nfs/dbraw/zinc/51/54/51/804515451.db2.gz ZUOVWOPNFPPZAA-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM CN(C)c1ncc(CNC(=O)N2CCOC[C@H]2C(=O)[O-])n1C ZINC000780570841 804517580 /nfs/dbraw/zinc/51/75/80/804517580.db2.gz OSLHJULXSNVPPE-JTQLQIEISA-N -1 0 311.342 -0.519 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)c[nH]1 ZINC000780624274 804517672 /nfs/dbraw/zinc/51/76/72/804517672.db2.gz MEFVQSIBDJPFAL-MRVPVSSYSA-N -1 0 301.324 -0.648 20 0 DBADRM O=C(CCN1CCCC1=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780616827 804517723 /nfs/dbraw/zinc/51/77/23/804517723.db2.gz OJXXBOAOMJIJDY-JTQLQIEISA-N -1 0 304.368 -0.376 20 0 DBADRM CCN(CC(=O)[O-])C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000780697930 804518524 /nfs/dbraw/zinc/51/85/24/804518524.db2.gz XPVUQEFSSCJTPT-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM COC1(CNC(=O)N2CCOC[C@H]2C(=O)[O-])CCOCC1 ZINC000780693641 804518705 /nfs/dbraw/zinc/51/87/05/804518705.db2.gz DNVIBHIJVMRFMU-JTQLQIEISA-N -1 0 302.327 -0.323 20 0 DBADRM CCN(CC(=O)[O-])C(=O)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000780655042 804518938 /nfs/dbraw/zinc/51/89/38/804518938.db2.gz HHSGNLSGIXLTTQ-SECBINFHSA-N -1 0 311.342 -0.145 20 0 DBADRM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2nc[nH]n2)C1=O ZINC000781416635 804528483 /nfs/dbraw/zinc/52/84/83/804528483.db2.gz POGFLAQREGMUJQ-CYBMUJFWSA-N -1 0 300.278 -0.083 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781503851 804529696 /nfs/dbraw/zinc/52/96/96/804529696.db2.gz WJKPPBFJUAVEMH-VIFPVBQESA-N -1 0 315.351 -0.637 20 0 DBADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)no1 ZINC000781514788 804529757 /nfs/dbraw/zinc/52/97/57/804529757.db2.gz MDQXONVGGLVKPY-VIFPVBQESA-N -1 0 304.324 -0.013 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1)C(=O)C1CC1 ZINC000781513331 804529816 /nfs/dbraw/zinc/52/98/16/804529816.db2.gz YBOJFECZHORLMV-JTQLQIEISA-N -1 0 304.368 -0.520 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781503850 804530073 /nfs/dbraw/zinc/53/00/73/804530073.db2.gz WJKPPBFJUAVEMH-SECBINFHSA-N -1 0 315.351 -0.637 20 0 DBADRM O=C(CCCNC(=O)C1CC1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781515110 804530931 /nfs/dbraw/zinc/53/09/31/804530931.db2.gz RVGBORQJEBOLPH-NSHDSACASA-N -1 0 318.395 -0.082 20 0 DBADRM CC(=O)Nc1ccc(C)c(C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000781547822 804530990 /nfs/dbraw/zinc/53/09/90/804530990.db2.gz VYPDGTZBRMRJQW-UHFFFAOYSA-N -1 0 313.335 -0.502 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1COc2ccccc21 ZINC000781728442 804533274 /nfs/dbraw/zinc/53/32/74/804533274.db2.gz IBSFNZFSHDPWMD-VIFPVBQESA-N -1 0 308.319 -0.204 20 0 DBADRM Cc1ccn2cc(C(=O)[N-]S(=O)(=O)c3cnnn3C)nc2c1 ZINC000781737797 804534424 /nfs/dbraw/zinc/53/44/24/804534424.db2.gz QRGWTUOOVREMFS-UHFFFAOYSA-N -1 0 320.334 -0.110 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)C[C@@H]1CSCCS1 ZINC000781739351 804534484 /nfs/dbraw/zinc/53/44/84/804534484.db2.gz AJERLSRXOZYNIL-SSDOTTSWSA-N -1 0 322.437 -0.141 20 0 DBADRM CC(C)c1nn(C)cc1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781738419 804534522 /nfs/dbraw/zinc/53/45/22/804534522.db2.gz NQDFKFAHZYHBQQ-UHFFFAOYSA-N -1 0 312.355 -0.209 20 0 DBADRM CC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnnn2C)n(C)c1 ZINC000781737191 804534729 /nfs/dbraw/zinc/53/47/29/804534729.db2.gz KAMRPXITURFWHQ-UHFFFAOYSA-N -1 0 311.323 -0.525 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000781802963 804535389 /nfs/dbraw/zinc/53/53/89/804535389.db2.gz SPBVXELUNFUHOP-UHFFFAOYSA-N -1 0 311.323 -0.250 20 0 DBADRM CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cn1 ZINC000781811412 804535467 /nfs/dbraw/zinc/53/54/67/804535467.db2.gz QDUOGUYRJZYZPQ-UHFFFAOYSA-N -1 0 316.383 -0.154 20 0 DBADRM CCOc1cccnc1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781741602 804535773 /nfs/dbraw/zinc/53/57/73/804535773.db2.gz LOSYKDWCOFQLAQ-UHFFFAOYSA-N -1 0 311.323 -0.273 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCO2 ZINC000781740514 804535927 /nfs/dbraw/zinc/53/59/27/804535927.db2.gz AWJJZEYQDLTCAI-UHFFFAOYSA-N -1 0 322.346 -0.202 20 0 DBADRM COc1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1-n1cnnn1 ZINC000781777078 804536002 /nfs/dbraw/zinc/53/60/02/804536002.db2.gz BHBGPLDWHWCTQK-UHFFFAOYSA-N -1 0 317.265 -0.148 20 0 DBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CN(C)C(C)=O)cn1 ZINC000781864836 804536491 /nfs/dbraw/zinc/53/64/91/804536491.db2.gz NLGMOTOATYKVKM-UHFFFAOYSA-N -1 0 315.351 -0.237 20 0 DBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)cn1 ZINC000781854705 804536902 /nfs/dbraw/zinc/53/69/02/804536902.db2.gz LORIEWGCFWNMGU-SNVBAGLBSA-N -1 0 316.335 -0.299 20 0 DBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)cn1 ZINC000781854704 804537027 /nfs/dbraw/zinc/53/70/27/804537027.db2.gz LORIEWGCFWNMGU-JTQLQIEISA-N -1 0 316.335 -0.299 20 0 DBADRM COc1ccc(C(=O)NCC(=O)[N-]S(C)(=O)=O)cc1OC ZINC000782572961 804549374 /nfs/dbraw/zinc/54/93/74/804549374.db2.gz GSOHRIORDOLGKS-UHFFFAOYSA-N -1 0 316.335 -0.491 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cn(CCOC)nc1C ZINC000782600555 804550443 /nfs/dbraw/zinc/55/04/43/804550443.db2.gz YLEJKEHWRPTNOW-UHFFFAOYSA-N -1 0 319.383 -0.066 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cc(C)[nH]c(=O)c1 ZINC000782619810 804551390 /nfs/dbraw/zinc/55/13/90/804551390.db2.gz IUENNCDINONEEO-UHFFFAOYSA-N -1 0 318.351 -0.182 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)C1(C)COC1 ZINC000782604233 804551806 /nfs/dbraw/zinc/55/18/06/804551806.db2.gz PAVOZIIMQVRSGD-SECBINFHSA-N -1 0 320.367 -0.589 20 0 DBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000782702605 804552542 /nfs/dbraw/zinc/55/25/42/804552542.db2.gz OPLYMTBRMCYQFR-SECBINFHSA-N -1 0 316.383 -0.131 20 0 DBADRM O=C(OCCOCC[N-]C(=O)C(F)(F)F)[C@H]1COCCO1 ZINC000782648755 804552817 /nfs/dbraw/zinc/55/28/17/804552817.db2.gz INMPZVUFSIUEPA-MRVPVSSYSA-N -1 0 315.244 -0.360 20 0 DBADRM CS(=O)(=O)CC(=O)OCCOCC[N-]C(=O)C(F)(F)F ZINC000782645941 804552926 /nfs/dbraw/zinc/55/29/26/804552926.db2.gz HQHQBDWZZHZZKC-UHFFFAOYSA-N -1 0 321.273 -0.731 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1cnc2n[nH]nc2c1 ZINC000783138451 804562194 /nfs/dbraw/zinc/56/21/94/804562194.db2.gz YHCCUHQABVRVNI-UHFFFAOYSA-N -1 0 313.339 -0.161 20 0 DBADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)[N-]N1CCCNC1=O ZINC000783603181 804566713 /nfs/dbraw/zinc/56/67/13/804566713.db2.gz NHKGHZLUGUTFDS-UHFFFAOYSA-N -1 0 316.339 -0.396 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]N2CCCNC2=O)cn1C ZINC000784724552 804585798 /nfs/dbraw/zinc/58/57/98/804585798.db2.gz RAHKMIHZTKNHNG-UHFFFAOYSA-N -1 0 316.339 -0.580 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)CC(C)C ZINC000784857285 804588188 /nfs/dbraw/zinc/58/81/88/804588188.db2.gz LRJHFEBHLAQVIJ-UHFFFAOYSA-N -1 0 314.429 -0.240 20 0 DBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)CS(=O)(=O)N(CC)CC ZINC000785091984 804591622 /nfs/dbraw/zinc/59/16/22/804591622.db2.gz BXDQZQKRUNUAIK-VIFPVBQESA-N -1 0 314.429 -0.098 20 0 DBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000785088723 804592103 /nfs/dbraw/zinc/59/21/03/804592103.db2.gz XAUKHLWGYFOKEG-JTQLQIEISA-N -1 0 306.384 -0.130 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000785385094 804597388 /nfs/dbraw/zinc/59/73/88/804597388.db2.gz LBCISXDLXFVTRK-UHFFFAOYSA-N -1 0 321.268 -0.517 20 0 DBADRM CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785387091 804597481 /nfs/dbraw/zinc/59/74/81/804597481.db2.gz XDRUABMEUTZSLN-SECBINFHSA-N -1 0 311.342 -0.038 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1C ZINC000785358385 804597669 /nfs/dbraw/zinc/59/76/69/804597669.db2.gz JUAQDGIBIVIWMT-UHFFFAOYSA-N -1 0 315.351 -0.091 20 0 DBADRM COC(=O)c1cc(C)ccc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785390185 804598347 /nfs/dbraw/zinc/59/83/47/804598347.db2.gz PVYFUSMRPKOPGY-UHFFFAOYSA-N -1 0 309.278 -0.747 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccccc1OCC1CC1 ZINC000785387309 804598736 /nfs/dbraw/zinc/59/87/36/804598736.db2.gz CMPFQSLYHSDNGN-UHFFFAOYSA-N -1 0 307.306 -0.053 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)NCc2n[nH]c(=O)[n-]2)ccc1F ZINC000786271971 804614279 /nfs/dbraw/zinc/61/42/79/804614279.db2.gz AHBXRZBMROVANN-UHFFFAOYSA-N -1 0 314.298 -0.017 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCOCC1 ZINC000786470282 804614990 /nfs/dbraw/zinc/61/49/90/804614990.db2.gz HRUOADJEFCSVPZ-LLVKDONJSA-N -1 0 309.384 -0.088 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)nc1 ZINC000786457402 804615160 /nfs/dbraw/zinc/61/51/60/804615160.db2.gz PZDGGMZSQGSREZ-UHFFFAOYSA-N -1 0 310.335 -0.027 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000786459858 804615351 /nfs/dbraw/zinc/61/53/51/804615351.db2.gz SNHSONHZYIGROB-LBPRGKRZSA-N -1 0 317.386 -0.846 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCc2nc(C)ncc2C1 ZINC000786675457 804620090 /nfs/dbraw/zinc/62/00/90/804620090.db2.gz UXBFMGUKDVNNAE-LLVKDONJSA-N -1 0 308.338 -0.547 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC000786958321 804626491 /nfs/dbraw/zinc/62/64/91/804626491.db2.gz GTYREZRPOZSCJL-UWVGGRQHSA-N -1 0 321.399 -0.783 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000786961640 804626621 /nfs/dbraw/zinc/62/66/21/804626621.db2.gz SKQMMFKDOMPQDI-NXEZZACHSA-N -1 0 305.400 -0.019 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnccn2)C1 ZINC000786957308 804626665 /nfs/dbraw/zinc/62/66/65/804626665.db2.gz JJIZQWAEPTVVPX-BDAKNGLRSA-N -1 0 312.351 -0.427 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000786967287 804626671 /nfs/dbraw/zinc/62/66/71/804626671.db2.gz KQUWTSIUZIRJHZ-MXWKQRLJSA-N -1 0 318.395 -0.239 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000786967285 804626677 /nfs/dbraw/zinc/62/66/77/804626677.db2.gz KQUWTSIUZIRJHZ-GMTAPVOTSA-N -1 0 318.395 -0.239 20 0 DBADRM CCNC(=O)c1ccc(CNC(=O)C(=O)[N-]OCCOC)cc1 ZINC000787183629 804628984 /nfs/dbraw/zinc/62/89/84/804628984.db2.gz KOWWARZHUHRIER-UHFFFAOYSA-N -1 0 323.349 -0.253 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)[N-]OCCO ZINC000787293502 804632461 /nfs/dbraw/zinc/63/24/61/804632461.db2.gz YTWDYSYGDWGDIK-QMMMGPOBSA-N -1 0 306.315 -0.467 20 0 DBADRM O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)[N-]OCCO ZINC000787293120 804632577 /nfs/dbraw/zinc/63/25/77/804632577.db2.gz PBJFJLYHGHZOKZ-UHFFFAOYSA-N -1 0 316.335 -0.965 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NOCCO)c1 ZINC000787294671 804632756 /nfs/dbraw/zinc/63/27/56/804632756.db2.gz XLTYDRLYOYBSSL-UHFFFAOYSA-N -1 0 304.324 -0.704 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)C(=O)[N-]OCCOC)c1 ZINC000787863090 804643916 /nfs/dbraw/zinc/64/39/16/804643916.db2.gz LNGCTVINTXXOMY-UHFFFAOYSA-N -1 0 309.322 -0.643 20 0 DBADRM COCCN(C)S(=O)(=O)N(CC(=O)[O-])Cc1ccncc1 ZINC000787935875 804646955 /nfs/dbraw/zinc/64/69/55/804646955.db2.gz WQJDNIUINYAOAH-UHFFFAOYSA-N -1 0 317.367 -0.209 20 0 DBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]OC[C@@H]1CCOC1 ZINC000788119491 804650850 /nfs/dbraw/zinc/65/08/50/804650850.db2.gz DOAYJRHZWCSAKM-SNVBAGLBSA-N -1 0 304.306 -0.124 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC/C=C\C(=O)[O-])cn1 ZINC000788446737 804661274 /nfs/dbraw/zinc/66/12/74/804661274.db2.gz KIIJKNGESOPNHA-IHWYPQMZSA-N -1 0 300.292 -0.213 20 0 DBADRM NS(=O)(=O)c1ccc(S(=O)(=O)NC/C=C/C(=O)[O-])cc1 ZINC000788447285 804661670 /nfs/dbraw/zinc/66/16/70/804661670.db2.gz LELDJWKUSVPKKK-OWOJBTEDSA-N -1 0 320.348 -0.747 20 0 DBADRM Cn1nnnc1-c1cccc(S(=O)(=O)NC/C=C\C(=O)[O-])c1 ZINC000788448209 804661695 /nfs/dbraw/zinc/66/16/95/804661695.db2.gz QXBNPRCNOHWYFP-UTCJRWHESA-N -1 0 323.334 -0.204 20 0 DBADRM Cn1nnnc1-c1cccc(S(=O)(=O)NC/C=C/C(=O)[O-])c1 ZINC000788448210 804661935 /nfs/dbraw/zinc/66/19/35/804661935.db2.gz QXBNPRCNOHWYFP-ZZXKWVIFSA-N -1 0 323.334 -0.204 20 0 DBADRM CNC(=O)CC(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000789098878 804670102 /nfs/dbraw/zinc/67/01/02/804670102.db2.gz XITUCHMDPWYSLW-UHFFFAOYSA-N -1 0 311.319 -0.312 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccn(CC(F)F)n1 ZINC000789435338 804673574 /nfs/dbraw/zinc/67/35/74/804673574.db2.gz SGQVLIUKFNVIED-UHFFFAOYSA-N -1 0 324.309 -0.545 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1n[nH]c2c1CCCCC2 ZINC000789429496 804673912 /nfs/dbraw/zinc/67/39/12/804673912.db2.gz SEBCSFGGIDHADS-UHFFFAOYSA-N -1 0 324.366 -0.074 20 0 DBADRM Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)c3cc[nH]n3)c2n1 ZINC000789791783 804676261 /nfs/dbraw/zinc/67/62/61/804676261.db2.gz UOEZTQVAUIOCRA-UHFFFAOYSA-N -1 0 306.307 -0.120 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@]1(C)C=CCC1 ZINC001284289203 804676278 /nfs/dbraw/zinc/67/62/78/804676278.db2.gz QCXVWDQJPXQBMM-CLAHSXSESA-N -1 0 321.337 -0.126 20 0 DBADRM CC(=O)Nc1nc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cs1 ZINC000789794427 804676667 /nfs/dbraw/zinc/67/66/67/804676667.db2.gz WLDKAATYJLJMPO-UHFFFAOYSA-N -1 0 315.336 -0.057 20 0 DBADRM CCOC(=O)c1cc(NC(=O)C(=O)[N-]OCCOC)cn1C ZINC000789826895 804677593 /nfs/dbraw/zinc/67/75/93/804677593.db2.gz PPANXLCREAGLED-UHFFFAOYSA-N -1 0 313.310 -0.166 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCCc1c(C)nn(C)c1C ZINC000789877748 804678516 /nfs/dbraw/zinc/67/85/16/804678516.db2.gz AXIXZICQMHPFSU-UHFFFAOYSA-N -1 0 312.370 -0.220 20 0 DBADRM COc1ccc(CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)nc1 ZINC000789938140 804679703 /nfs/dbraw/zinc/67/97/03/804679703.db2.gz MSLNUIDIBLMXMR-LLVKDONJSA-N -1 0 304.310 -0.254 20 0 DBADRM CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc(=O)[nH][n-]1 ZINC000789921292 804679861 /nfs/dbraw/zinc/67/98/61/804679861.db2.gz KXZWEWHJHDGEML-LLVKDONJSA-N -1 0 304.306 -0.452 20 0 DBADRM Cc1cc2nc(C)cc(C(=O)NCCc3nc(=O)o[n-]3)n2n1 ZINC000790073841 804683715 /nfs/dbraw/zinc/68/37/15/804683715.db2.gz XIGGALVEEIEHLF-UHFFFAOYSA-N -1 0 302.294 -0.005 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000790264590 804686248 /nfs/dbraw/zinc/68/62/48/804686248.db2.gz NAROTLAURYEEIY-NSHDSACASA-N -1 0 323.353 -0.744 20 0 DBADRM COc1cccc(Cl)c1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000790791676 804695754 /nfs/dbraw/zinc/69/57/54/804695754.db2.gz SQRRDTZGXDPVDG-UHFFFAOYSA-N -1 0 320.754 -0.178 20 0 DBADRM CS(=O)(=O)C[C@@H](NC(=O)c1cc(=O)[nH][n-]1)c1ccccc1 ZINC000791377947 804703032 /nfs/dbraw/zinc/70/30/32/804703032.db2.gz GDEHRPMMFHJEIC-LLVKDONJSA-N -1 0 309.347 -0.236 20 0 DBADRM C[C@H](CCNC(=O)C=C1CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001284426706 804703610 /nfs/dbraw/zinc/70/36/10/804703610.db2.gz OXRYPXBHEYJCDM-SECBINFHSA-N -1 0 323.353 -0.189 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCCS1(=O)=O ZINC000791809715 804708780 /nfs/dbraw/zinc/70/87/80/804708780.db2.gz QBWZCFYWNCHIOZ-DTWKUNHWSA-N -1 0 313.397 -0.565 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1SC ZINC000791829915 804708787 /nfs/dbraw/zinc/70/87/87/804708787.db2.gz LXMJFPOIJYACBQ-UHFFFAOYSA-N -1 0 322.412 -0.305 20 0 DBADRM COc1cncc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)n1 ZINC000791869807 804709542 /nfs/dbraw/zinc/70/95/42/804709542.db2.gz KQSBNKOZUPICKC-QMMMGPOBSA-N -1 0 301.324 -0.276 20 0 DBADRM CC[C@H](C)n1ncc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1C ZINC000791875190 804709609 /nfs/dbraw/zinc/70/96/09/804709609.db2.gz ZJKRANQPDSDGGF-ZETCQYMHSA-N -1 0 302.356 -0.293 20 0 DBADRM CSc1c(C(=O)[N-]S(=O)(=O)c2ccnn2C)cnn1C ZINC000791878242 804709749 /nfs/dbraw/zinc/70/97/49/804709749.db2.gz KAMZKOATXWPBCH-UHFFFAOYSA-N -1 0 315.380 -0.006 20 0 DBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000793114153 804724963 /nfs/dbraw/zinc/72/49/63/804724963.db2.gz ZCVGRKMBWIEKNO-UHFFFAOYSA-N -1 0 310.335 -0.163 20 0 DBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000793192970 804726001 /nfs/dbraw/zinc/72/60/01/804726001.db2.gz ZRTKXCHMXJJCFY-NSHDSACASA-N -1 0 317.367 -0.438 20 0 DBADRM COCc1ncsc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000793165244 804726027 /nfs/dbraw/zinc/72/60/27/804726027.db2.gz ZGGZEDDWEBETGI-UHFFFAOYSA-N -1 0 321.380 -0.404 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000793198060 804727481 /nfs/dbraw/zinc/72/74/81/804727481.db2.gz UMUHTCFKMZKUJO-JTQLQIEISA-N -1 0 310.331 -0.322 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000793311386 804728569 /nfs/dbraw/zinc/72/85/69/804728569.db2.gz FLZJQBNSGRQGNZ-LBPRGKRZSA-N -1 0 313.379 -0.252 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCC(OCC(=O)[O-])CC1 ZINC000794759193 804751394 /nfs/dbraw/zinc/75/13/94/804751394.db2.gz JGUUSVKTPODHRI-UHFFFAOYSA-N -1 0 317.367 -0.017 20 0 DBADRM CC(=O)N1CCCC[C@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000796263614 804770085 /nfs/dbraw/zinc/77/00/85/804770085.db2.gz ANYGYXDTAIPDKP-WDEREUQCSA-N -1 0 308.342 -0.499 20 0 DBADRM C[C@@H]1C(=O)CC[C@H]1CC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000796730118 804773656 /nfs/dbraw/zinc/77/36/56/804773656.db2.gz BNJXLRJUVOOZEA-UWVGGRQHSA-N -1 0 304.368 -0.315 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796867174 804774251 /nfs/dbraw/zinc/77/42/51/804774251.db2.gz AACVTUVFILWUEZ-UHFFFAOYSA-N -1 0 313.339 -0.356 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2 ZINC000796863162 804774328 /nfs/dbraw/zinc/77/43/28/804774328.db2.gz BLULZLBMVPUJJJ-UHFFFAOYSA-N -1 0 303.340 -0.238 20 0 DBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cn1 ZINC000796875558 804774764 /nfs/dbraw/zinc/77/47/64/804774764.db2.gz FHORFPXAMXPQAX-UHFFFAOYSA-N -1 0 311.279 -0.895 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796882272 804774797 /nfs/dbraw/zinc/77/47/97/804774797.db2.gz FLXVRYFLTMYNSJ-SSDOTTSWSA-N -1 0 302.356 -0.235 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)C1 ZINC000796873142 804774886 /nfs/dbraw/zinc/77/48/86/804774886.db2.gz JZCXFTTXPBVUFB-HTQZYQBOSA-N -1 0 300.340 -0.494 20 0 DBADRM CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796879772 804774999 /nfs/dbraw/zinc/77/49/99/804774999.db2.gz YLLMYDYTBOBYGM-UHFFFAOYSA-N -1 0 302.356 -0.091 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)c1cccn2c(=O)[nH]nc12 ZINC000796868724 804775030 /nfs/dbraw/zinc/77/50/30/804775030.db2.gz MHDIZNNCRASERC-UHFFFAOYSA-N -1 0 308.279 -0.723 20 0 DBADRM O=C(CCOC[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796876074 804775037 /nfs/dbraw/zinc/77/50/37/804775037.db2.gz JHIOLGRBGRFWFT-VIFPVBQESA-N -1 0 303.340 -0.200 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)[C@]12CCC(=O)N1CCS2 ZINC000796882908 804775079 /nfs/dbraw/zinc/77/50/79/804775079.db2.gz KUGNSKQBHZGEMN-SNVBAGLBSA-N -1 0 316.364 -0.720 20 0 DBADRM O=C(CCCn1ccccc1=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796875162 804775118 /nfs/dbraw/zinc/77/51/18/804775118.db2.gz OXZYOADOBNEZKQ-UHFFFAOYSA-N -1 0 310.335 -0.143 20 0 DBADRM CC(C)C(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796869262 804775138 /nfs/dbraw/zinc/77/51/38/804775138.db2.gz PSVAXHJDZFCLDI-VIFPVBQESA-N -1 0 314.367 -0.138 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)[nH]1 ZINC000796882179 804775190 /nfs/dbraw/zinc/77/51/90/804775190.db2.gz LEZPJXBNKRAROY-ZETCQYMHSA-N -1 0 304.324 -0.104 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)c1ccc2n[nH]c(=O)n2c1 ZINC000796884884 804775637 /nfs/dbraw/zinc/77/56/37/804775637.db2.gz VNPLVJVGJMNPOT-UHFFFAOYSA-N -1 0 308.279 -0.723 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cn(C(C)C)nn1 ZINC000796979747 804776544 /nfs/dbraw/zinc/77/65/44/804776544.db2.gz AXGQGBHPOLICKT-UHFFFAOYSA-N -1 0 320.371 -0.418 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)CCOC)CCOCC1 ZINC000797007821 804776655 /nfs/dbraw/zinc/77/66/55/804776655.db2.gz GUFZCPFVZUVSQL-UHFFFAOYSA-N -1 0 323.367 -0.561 20 0 DBADRM Cn1ccc(CCC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)n1 ZINC000797049688 804776739 /nfs/dbraw/zinc/77/67/39/804776739.db2.gz RINRQVBMDIXNJQ-NSHDSACASA-N -1 0 301.368 -0.022 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccoc1CC(N)=O ZINC000796989193 804776891 /nfs/dbraw/zinc/77/68/91/804776891.db2.gz LKGJJDAHKSUIBE-UHFFFAOYSA-N -1 0 303.340 -0.378 20 0 DBADRM CC(C)n1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)nn1 ZINC000796995578 804776959 /nfs/dbraw/zinc/77/69/59/804776959.db2.gz CWIHSHGIVORDOQ-VIFPVBQESA-N -1 0 302.356 -0.045 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000797136407 804777481 /nfs/dbraw/zinc/77/74/81/804777481.db2.gz XLOARQIWZHNFHQ-KWQFWETISA-N -1 0 314.367 -0.168 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000797278208 804778687 /nfs/dbraw/zinc/77/86/87/804778687.db2.gz BTZXWVFXPGKEIS-HTQZYQBOSA-N -1 0 315.351 -0.478 20 0 DBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)C(C)C ZINC000797283159 804778700 /nfs/dbraw/zinc/77/87/00/804778700.db2.gz BQSCFYRMJWGUTO-SFYZADRCSA-N -1 0 324.355 -0.626 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccnc(N(C)C)c1 ZINC000797280401 804778956 /nfs/dbraw/zinc/77/89/56/804778956.db2.gz BKWKZZZEISMRDX-MRVPVSSYSA-N -1 0 315.351 -0.231 20 0 DBADRM CCn1cc(CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)cn1 ZINC000797282863 804779009 /nfs/dbraw/zinc/77/90/09/804779009.db2.gz OFDNJKTYNVWZKB-QMMMGPOBSA-N -1 0 303.340 -0.547 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)Cc2cnn(C)c2C)CC1 ZINC000797274179 804779034 /nfs/dbraw/zinc/77/90/34/804779034.db2.gz BVGQEWVKVHDMMH-UHFFFAOYSA-N -1 0 301.368 -0.104 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000797295264 804779635 /nfs/dbraw/zinc/77/96/35/804779635.db2.gz SVOJQTZRCPYYOK-SFYZADRCSA-N -1 0 318.351 -0.995 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)CC(C)C ZINC000797285443 804779720 /nfs/dbraw/zinc/77/97/20/804779720.db2.gz NHUWNQOVVVCYNJ-SECBINFHSA-N -1 0 322.383 -0.454 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000797295262 804779758 /nfs/dbraw/zinc/77/97/58/804779758.db2.gz SVOJQTZRCPYYOK-JGVFFNPUSA-N -1 0 318.351 -0.995 20 0 DBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000797289961 804779963 /nfs/dbraw/zinc/77/99/63/804779963.db2.gz HWXODMHJVFJXCI-RKDXNWHRSA-N -1 0 311.356 -0.565 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)C1 ZINC000797290685 804779980 /nfs/dbraw/zinc/77/99/80/804779980.db2.gz CBPWMJCFDWLJLJ-BDAKNGLRSA-N -1 0 320.367 -0.748 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC000797299146 804780355 /nfs/dbraw/zinc/78/03/55/804780355.db2.gz OSPCNLYGPBHAJG-QPUJVOFHSA-N -1 0 320.367 -0.748 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C(C)(C)C)nn1 ZINC000797300556 804780509 /nfs/dbraw/zinc/78/05/09/804780509.db2.gz DYLHSFHQPHSHOH-SSDOTTSWSA-N -1 0 318.355 -0.346 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@@H]1CCC(=O)[C@H]1C ZINC000797301752 804780524 /nfs/dbraw/zinc/78/05/24/804780524.db2.gz WXSCVSDAZBLWJA-CIUDSAMLSA-N -1 0 305.352 -0.001 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C\c1cnn(C)c1 ZINC000797300889 804780535 /nfs/dbraw/zinc/78/05/35/804780535.db2.gz XAQVYTDBXJABIH-PULIVWKDSA-N -1 0 301.324 -0.559 20 0 DBADRM CCc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)cnn1C ZINC000797305055 804780572 /nfs/dbraw/zinc/78/05/72/804780572.db2.gz PLJQTXWLWFHZOE-ZETCQYMHSA-N -1 0 303.340 -0.396 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C/c1cnn(C)c1 ZINC000797300890 804780722 /nfs/dbraw/zinc/78/07/22/804780722.db2.gz XAQVYTDBXJABIH-WTSVBCDHSA-N -1 0 301.324 -0.559 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCCCc1c[nH]nn1 ZINC000797300522 804780818 /nfs/dbraw/zinc/78/08/18/804780818.db2.gz QAZGBBUHDTVEJN-MRVPVSSYSA-N -1 0 318.355 -0.475 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cs1 ZINC000797306079 804781269 /nfs/dbraw/zinc/78/12/69/804781269.db2.gz RWVOGILAKUISEB-YFKPBYRVSA-N -1 0 320.348 -0.532 20 0 DBADRM CCCCC[C@@H](NC(=O)NCCNS(C)(=O)=O)C(=O)[O-] ZINC000797706413 804783867 /nfs/dbraw/zinc/78/38/67/804783867.db2.gz XGVBFQJVWLICRL-SECBINFHSA-N -1 0 309.388 -0.132 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000798205836 804786902 /nfs/dbraw/zinc/78/69/02/804786902.db2.gz FDJOMHYCZYRXDM-UHFFFAOYSA-N -1 0 322.346 -0.221 20 0 DBADRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000798200194 804787479 /nfs/dbraw/zinc/78/74/79/804787479.db2.gz OQMOBGUWOGOUFU-VIFPVBQESA-N -1 0 322.383 -0.310 20 0 DBADRM COC(C)(C)C(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000798615111 804796971 /nfs/dbraw/zinc/79/69/71/804796971.db2.gz UDTLFZRHYYBXDI-UHFFFAOYSA-N -1 0 308.294 -0.392 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@H](OC)c1cnn(C)c1 ZINC000798838510 804802023 /nfs/dbraw/zinc/80/20/23/804802023.db2.gz LWAJMDPKDVCHOT-SNVBAGLBSA-N -1 0 304.372 -0.190 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](OC)c1cnn(C)c1 ZINC000798830187 804802308 /nfs/dbraw/zinc/80/23/08/804802308.db2.gz OIHXUPFKUXZMGC-WCBMZHEXSA-N -1 0 305.356 -0.412 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)c1cnn(C)c1 ZINC000798830988 804802525 /nfs/dbraw/zinc/80/25/25/804802525.db2.gz YKIAEDVEFOPCBI-NXEZZACHSA-N -1 0 303.340 -0.658 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCC(=O)NC2)cn1 ZINC000798837060 804802671 /nfs/dbraw/zinc/80/26/71/804802671.db2.gz CITUEBATBMOCFR-LBPRGKRZSA-N -1 0 314.367 -0.376 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC000798828610 804802676 /nfs/dbraw/zinc/80/26/76/804802676.db2.gz VIJNFMBEHKVPAU-SECBINFHSA-N -1 0 301.368 -0.383 20 0 DBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000798823682 804802692 /nfs/dbraw/zinc/80/26/92/804802692.db2.gz PTWAPGMEXQEZQZ-UHFFFAOYSA-N -1 0 307.335 -0.148 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1)c1cnn(C)c1 ZINC000798850521 804802881 /nfs/dbraw/zinc/80/28/81/804802881.db2.gz MPWOYEZBNQQBTI-WDEREUQCSA-N -1 0 317.367 -0.267 20 0 DBADRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC000798899826 804803833 /nfs/dbraw/zinc/80/38/33/804803833.db2.gz JPXQZCANNSJUKH-UHFFFAOYSA-N -1 0 324.362 -0.464 20 0 DBADRM COCC[C@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000799087185 804807692 /nfs/dbraw/zinc/80/76/92/804807692.db2.gz ONVYPDKSBIOBTR-SSDOTTSWSA-N -1 0 300.277 -0.043 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C ZINC000799263243 804809787 /nfs/dbraw/zinc/80/97/87/804809787.db2.gz LZWKQDDDDNNRJR-UHFFFAOYSA-N -1 0 323.305 -0.326 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)c2cnn(CC3CC3)c2)CCOC1 ZINC000800025369 804819150 /nfs/dbraw/zinc/81/91/50/804819150.db2.gz OJVIXAGRMHVVTE-GFCCVEGCSA-N -1 0 315.351 -0.185 20 0 DBADRM O=C(COc1ccsc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000800395462 804824337 /nfs/dbraw/zinc/82/43/37/804824337.db2.gz PCRWPOPOUMMWIO-UHFFFAOYSA-N -1 0 306.365 -0.180 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCC(C)=O ZINC000800390776 804824361 /nfs/dbraw/zinc/82/43/61/804824361.db2.gz FFZUKJVWTMTYBA-JTQLQIEISA-N -1 0 320.367 -0.256 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H](O)C1CCCCC1 ZINC000800551089 804825505 /nfs/dbraw/zinc/82/55/05/804825505.db2.gz PEJGOZUDMRHMCM-LLVKDONJSA-N -1 0 306.384 -0.490 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1coc(C2CC2)n1 ZINC000800551334 804825540 /nfs/dbraw/zinc/82/55/40/804825540.db2.gz AJJVWPHETCXBFY-UHFFFAOYSA-N -1 0 301.324 -0.252 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccnc2ccncc21 ZINC000800550179 804825578 /nfs/dbraw/zinc/82/55/78/804825578.db2.gz VLUNYNMOJMINJL-UHFFFAOYSA-N -1 0 322.346 -0.175 20 0 DBADRM Cc1ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(C)n1 ZINC000800549217 804825871 /nfs/dbraw/zinc/82/58/71/804825871.db2.gz IMBIUHNOPBLQBU-UHFFFAOYSA-N -1 0 300.340 -0.711 20 0 DBADRM CN1C(=O)CN([N-]S(=O)(=O)c2cccc3c2OCO3)C1=O ZINC000800929414 804829224 /nfs/dbraw/zinc/82/92/24/804829224.db2.gz REAOUUGRWVFOSF-UHFFFAOYSA-N -1 0 313.291 -0.497 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CN(C)C(C)=O ZINC000802154406 804842310 /nfs/dbraw/zinc/84/23/10/804842310.db2.gz HODITFSRZXPWIH-HTQZYQBOSA-N -1 0 308.356 -0.892 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCn1ccnn1 ZINC000802155121 804842613 /nfs/dbraw/zinc/84/26/13/804842613.db2.gz MMNXRTHMGGPDSW-IUCAKERBSA-N -1 0 318.355 -0.688 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cncnc1 ZINC000802167008 804843198 /nfs/dbraw/zinc/84/31/98/804843198.db2.gz KNJRYYBYZCNMJR-SFYZADRCSA-N -1 0 301.324 -0.266 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccnn1C ZINC000802167910 804843439 /nfs/dbraw/zinc/84/34/39/804843439.db2.gz QZYHPCYSEATFHQ-JGVFFNPUSA-N -1 0 303.340 -0.323 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccnn1C ZINC000802162985 804843543 /nfs/dbraw/zinc/84/35/43/804843543.db2.gz ZIMXMXDKAHVDCM-BDAKNGLRSA-N -1 0 317.367 -0.394 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnnn1C ZINC000802162983 804843805 /nfs/dbraw/zinc/84/38/05/804843805.db2.gz FHTACBLLBQZAFV-RNFRBKRXSA-N -1 0 304.328 -0.928 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)nn1C ZINC000802166222 804843901 /nfs/dbraw/zinc/84/39/01/804843901.db2.gz YUAYLXDIMLFQPE-IUCAKERBSA-N -1 0 317.367 -0.014 20 0 DBADRM COC[C@H](O)CNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000802216406 804844457 /nfs/dbraw/zinc/84/44/57/804844457.db2.gz HEZCOFUQRKBBNV-SFYZADRCSA-N -1 0 300.277 -0.187 20 0 DBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000802205646 804844826 /nfs/dbraw/zinc/84/48/26/804844826.db2.gz HFKCEKFKCUEHPE-UHFFFAOYSA-N -1 0 317.367 -0.313 20 0 DBADRM COC[C@@H](O)CNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000802224034 804844842 /nfs/dbraw/zinc/84/48/42/804844842.db2.gz HEZCOFUQRKBBNV-YUMQZZPRSA-N -1 0 300.277 -0.187 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CC1OCCO1 ZINC000802766501 804847069 /nfs/dbraw/zinc/84/70/69/804847069.db2.gz DSKPMPRIIWPAMO-YUMQZZPRSA-N -1 0 309.340 -0.607 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)COC(F)F ZINC000802767117 804847407 /nfs/dbraw/zinc/84/74/07/804847407.db2.gz LJVZLLUCQPVCAF-RITPCOANSA-N -1 0 303.283 -0.131 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)CCc1scnc1C ZINC000803026952 804849002 /nfs/dbraw/zinc/84/90/02/804849002.db2.gz MPMQIZPGXFCYPX-UHFFFAOYSA-N -1 0 305.381 -0.424 20 0 DBADRM COc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)nn1C ZINC000803011009 804849156 /nfs/dbraw/zinc/84/91/56/804849156.db2.gz NNXVYPXFQJMVJU-SECBINFHSA-N -1 0 317.367 -0.085 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)c[nH]1 ZINC000803005814 804849392 /nfs/dbraw/zinc/84/93/92/804849392.db2.gz RMFWALNNBKFYRD-QMMMGPOBSA-N -1 0 315.351 -0.400 20 0 DBADRM O=C(CCN1CCCC1=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000803003064 804849422 /nfs/dbraw/zinc/84/94/22/804849422.db2.gz RUAKDGGTDYJWFR-NSHDSACASA-N -1 0 318.395 -0.129 20 0 DBADRM CCc1nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(C)o1 ZINC000803182039 804850950 /nfs/dbraw/zinc/85/09/50/804850950.db2.gz SPOCCYDYJWVBPN-UHFFFAOYSA-N -1 0 303.340 -0.259 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1occ2c1CCC2 ZINC000803182104 804851016 /nfs/dbraw/zinc/85/10/16/804851016.db2.gz UGYYMUDTBPCAMU-UHFFFAOYSA-N -1 0 300.336 -0.036 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccc(Cl)cn1 ZINC000803182083 804851353 /nfs/dbraw/zinc/85/13/53/804851353.db2.gz UBLRGMKJJMUJAE-UHFFFAOYSA-N -1 0 319.770 -0.140 20 0 DBADRM Nc1cc(C(=O)OCc2n[nH]c(=O)[n-]2)ccc1S(N)(=O)=O ZINC000803702649 804857376 /nfs/dbraw/zinc/85/73/76/804857376.db2.gz ALDYZYJGZGVXPU-UHFFFAOYSA-N -1 0 313.295 -0.903 20 0 DBADRM CC/C=C(\C)C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001285424856 804877059 /nfs/dbraw/zinc/87/70/59/804877059.db2.gz XEYOJTPOLYLGEY-YVFTVSHDSA-N -1 0 310.354 -0.013 20 0 DBADRM COCCCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000805045591 804882784 /nfs/dbraw/zinc/88/27/84/804882784.db2.gz RPNSRWXHUKCCEC-SECBINFHSA-N -1 0 320.371 -0.829 20 0 DBADRM Cn1ncc(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n1 ZINC000805211854 804887479 /nfs/dbraw/zinc/88/74/79/804887479.db2.gz CNQBYJWZSDZPFC-UHFFFAOYSA-N -1 0 301.266 -0.506 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1cccc(-n2cncn2)c1 ZINC000805745734 804902409 /nfs/dbraw/zinc/90/24/09/804902409.db2.gz FZCRUJSJCYWWAO-UHFFFAOYSA-N -1 0 319.321 -0.422 20 0 DBADRM CCOC(=O)C(C)(C)CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000805914829 804904889 /nfs/dbraw/zinc/90/48/89/804904889.db2.gz BGHUKUVKNLUKGN-MRVPVSSYSA-N -1 0 323.367 -0.027 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(F)cn1 ZINC000805915817 804905382 /nfs/dbraw/zinc/90/53/82/804905382.db2.gz QIWKPPPOQXYJOJ-ZETCQYMHSA-N -1 0 304.299 -0.229 20 0 DBADRM O=C(COCc1ccccn1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000805881961 804905503 /nfs/dbraw/zinc/90/55/03/804905503.db2.gz NCWQBNKWEAAJQK-NSHDSACASA-N -1 0 300.336 -0.167 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2cccnn2)c1[O-] ZINC001285523575 804907359 /nfs/dbraw/zinc/90/73/59/804907359.db2.gz LRVQRPATYGXHDT-NSCUHMNNSA-N -1 0 316.321 -0.070 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC001325051112 807027514 /nfs/dbraw/zinc/02/75/14/807027514.db2.gz OYNINJFMAIBNCC-ZJUUUORDSA-N -1 0 320.334 -0.480 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000806639408 804920567 /nfs/dbraw/zinc/92/05/67/804920567.db2.gz UUJPVYOUFYBRQH-SECBINFHSA-N -1 0 308.356 -0.431 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)Cc2[nH]nc3c2CCCC3)n[n-]1 ZINC000806695596 804922534 /nfs/dbraw/zinc/92/25/34/804922534.db2.gz ROMANMVHPFUMMD-UHFFFAOYSA-N -1 0 324.366 -0.009 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001285600716 804924158 /nfs/dbraw/zinc/92/41/58/804924158.db2.gz XRVIDTFFSRXCIA-BNEREYBLSA-N -1 0 321.337 -0.269 20 0 DBADRM CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)[N-]OCCSC ZINC000807131489 804931528 /nfs/dbraw/zinc/93/15/28/804931528.db2.gz UETAJITUCOUMLN-UWVGGRQHSA-N -1 0 306.384 -0.293 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCOC[C@@H]1OCC ZINC000807126049 804931819 /nfs/dbraw/zinc/93/18/19/804931819.db2.gz VHDDNHFWLWBINU-MNOVXSKESA-N -1 0 304.343 -0.619 20 0 DBADRM CN(CC(C)(C)S(C)(=O)=O)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000807174717 804932429 /nfs/dbraw/zinc/93/24/29/804932429.db2.gz BVOOMZGYVAUYKC-UHFFFAOYSA-N -1 0 322.412 -0.116 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000807638002 804938940 /nfs/dbraw/zinc/93/89/40/804938940.db2.gz CWUPBNMNBMBASC-VIFPVBQESA-N -1 0 312.370 -0.222 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000807690173 804939464 /nfs/dbraw/zinc/93/94/64/804939464.db2.gz AQPKXSNNKGTMDQ-LLVKDONJSA-N -1 0 308.338 -0.529 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cn(C)c(C)n2)C1=O ZINC000808309502 804956803 /nfs/dbraw/zinc/95/68/03/804956803.db2.gz DTQQJKCMRAVIRA-NSHDSACASA-N -1 0 315.355 -0.358 20 0 DBADRM C/C=C(\C)C(=O)NC[C@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001285750733 804958915 /nfs/dbraw/zinc/95/89/15/804958915.db2.gz AGULQBKPWSAPEC-SGDMMICCSA-N -1 0 323.353 -0.198 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cnnn1C ZINC000808564875 804961635 /nfs/dbraw/zinc/96/16/35/804961635.db2.gz KRKOLSMMCZLSBZ-UHFFFAOYSA-N -1 0 300.300 -0.484 20 0 DBADRM Cn1nncc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000808564369 804961662 /nfs/dbraw/zinc/96/16/62/804961662.db2.gz PQDLUECZXJOUFO-UHFFFAOYSA-N -1 0 321.318 -0.158 20 0 DBADRM Cn1cc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)nn1 ZINC000808661644 804962820 /nfs/dbraw/zinc/96/28/20/804962820.db2.gz WJKPYBGUICRSIX-UHFFFAOYSA-N -1 0 321.318 -0.006 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCC[C@H](OC)C(F)(F)F ZINC000808972575 804966753 /nfs/dbraw/zinc/96/67/53/804966753.db2.gz GPHBDVSLULGMRR-ZETCQYMHSA-N -1 0 302.249 -0.236 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)nn1 ZINC000809002318 804967639 /nfs/dbraw/zinc/96/76/39/804967639.db2.gz AAWLXZGYJGOICQ-UHFFFAOYSA-N -1 0 310.339 -0.460 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cn1cc(Cl)cn1 ZINC000808993578 804967814 /nfs/dbraw/zinc/96/78/14/804967814.db2.gz YASZHFNTXPCXEV-UHFFFAOYSA-N -1 0 310.763 -0.524 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccnc(Cl)c2)nn1 ZINC000808997938 804967873 /nfs/dbraw/zinc/96/78/73/804967873.db2.gz RCIXADLXJOYLTE-UHFFFAOYSA-N -1 0 301.715 -0.018 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)Cn1ccc(C)cc1=O ZINC000809031737 804968964 /nfs/dbraw/zinc/96/89/64/804968964.db2.gz MBEICELNGILHAY-UHFFFAOYSA-N -1 0 324.362 -0.296 20 0 DBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000809033294 804969128 /nfs/dbraw/zinc/96/91/28/804969128.db2.gz KCCSQPGZFXUKCK-UHFFFAOYSA-N -1 0 305.356 -0.413 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)/C=C/c1cnn(C)c1 ZINC000809034682 804970148 /nfs/dbraw/zinc/97/01/48/804970148.db2.gz MYWNWCNUKSSANQ-SNAWJCMRSA-N -1 0 309.351 -0.020 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccc2nncn2c1 ZINC000809035562 804970364 /nfs/dbraw/zinc/97/03/64/804970364.db2.gz GTBALDLFHOWTNT-UHFFFAOYSA-N -1 0 320.334 -0.110 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)[N-]OC2CCOCC2)C[N@@H+]1C1CC1 ZINC000809363183 804975562 /nfs/dbraw/zinc/97/55/62/804975562.db2.gz MNQBDRSNLUZCTN-GHMZBOCLSA-N -1 0 311.382 -0.045 20 0 DBADRM COC[C@@H](NC(=O)C(=O)[N-]OC1CCOCC1)[C@H]1CCCO1 ZINC000809454159 804978039 /nfs/dbraw/zinc/97/80/39/804978039.db2.gz YXVKGFATWHRNCC-VXGBXAGGSA-N -1 0 316.354 -0.477 20 0 DBADRM COC[C@@H](NC(=O)C(=O)[N-]OC1CCOCC1)[C@@H]1CCCO1 ZINC000809454156 804978244 /nfs/dbraw/zinc/97/82/44/804978244.db2.gz YXVKGFATWHRNCC-NEPJUHHUSA-N -1 0 316.354 -0.477 20 0 DBADRM COC[C@H](NC(=O)C(=O)[N-]OCCSC)[C@H]1CCCO1 ZINC000809453940 804978261 /nfs/dbraw/zinc/97/82/61/804978261.db2.gz UDYPYMBZQOFFLN-VHSXEESVSA-N -1 0 306.384 -0.293 20 0 DBADRM O=c1nc(CCNS(=O)(=O)c2cnn(CC3CC3)c2)[n-]o1 ZINC000810076808 804988355 /nfs/dbraw/zinc/98/83/55/804988355.db2.gz OKBZKRFIYQEBPI-UHFFFAOYSA-N -1 0 313.339 -0.510 20 0 DBADRM COCC1(C(=O)[N-]S(=O)(=O)N2CCCC2)CCOCC1 ZINC000810548156 804995577 /nfs/dbraw/zinc/99/55/77/804995577.db2.gz RYYDYALFHOWEJP-UHFFFAOYSA-N -1 0 306.384 -0.114 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1conc1C1CC1 ZINC000810597573 804996437 /nfs/dbraw/zinc/99/64/37/804996437.db2.gz FOQNUERXRMGMAB-UHFFFAOYSA-N -1 0 301.324 -0.141 20 0 DBADRM O=C(NC1(CNC(=O)C2CC=CC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001285914756 804998004 /nfs/dbraw/zinc/99/80/04/804998004.db2.gz PKJWJSGSPFQEKU-UHFFFAOYSA-N -1 0 319.321 -0.372 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ncccc1OC ZINC000810671621 804998416 /nfs/dbraw/zinc/99/84/16/804998416.db2.gz WEKSQDGTOZPNDE-QMMMGPOBSA-N -1 0 316.335 -0.360 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)/C=C\c1cnn(C)c1 ZINC000810831417 805000534 /nfs/dbraw/zinc/00/05/34/805000534.db2.gz DCSBALFSCXXPCE-ARJAWSKDSA-N -1 0 311.323 -0.183 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C ZINC000810831301 805000619 /nfs/dbraw/zinc/00/06/19/805000619.db2.gz XXXNGYBCMGUBBU-UHFFFAOYSA-N -1 0 318.355 -0.468 20 0 DBADRM COc1cncc(C(=O)[N-]S(=O)(=O)c2c(N)noc2C)n1 ZINC000810829380 805000937 /nfs/dbraw/zinc/00/09/37/805000937.db2.gz NHSMCAPLFUBFJO-UHFFFAOYSA-N -1 0 313.295 -0.517 20 0 DBADRM O=C([N-]N1CCCNC1=O)c1ccc(CN2CCOCC2)cn1 ZINC000810941867 805002088 /nfs/dbraw/zinc/00/20/88/805002088.db2.gz KSHIUYNRUDYBPH-UHFFFAOYSA-N -1 0 319.365 -0.026 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC000811153394 805004639 /nfs/dbraw/zinc/00/46/39/805004639.db2.gz JNCMWZVXHHHMHA-LLVKDONJSA-N -1 0 318.395 -0.130 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)CCc2cnn(C)c2)CC1 ZINC000811153462 805005005 /nfs/dbraw/zinc/00/50/05/805005005.db2.gz MCVFEXKYRGCDGB-UHFFFAOYSA-N -1 0 301.368 -0.022 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCCO3)CC1 ZINC000811150875 805005074 /nfs/dbraw/zinc/00/50/74/805005074.db2.gz AUSVCFDFLCVIHL-UHFFFAOYSA-N -1 0 315.351 -0.096 20 0 DBADRM CCOCCO[N-]C(=O)CNS(=O)(=O)c1c(C)noc1C ZINC000811163766 805005623 /nfs/dbraw/zinc/00/56/23/805005623.db2.gz ZZKBFWRMZCOPHM-UHFFFAOYSA-N -1 0 321.355 -0.346 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cncc(OC)n2)CC1 ZINC000811154341 805005812 /nfs/dbraw/zinc/00/58/12/805005812.db2.gz CQAPUDVFFLNJHP-UHFFFAOYSA-N -1 0 301.324 -0.276 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)C2(COC)CC2)CCC1 ZINC000811154351 805005979 /nfs/dbraw/zinc/00/59/79/805005979.db2.gz ZKCPKYLHDXGMHM-UHFFFAOYSA-N -1 0 304.368 -0.472 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2ccc(=O)n(C)c2)CC1 ZINC000811155910 805006353 /nfs/dbraw/zinc/00/63/53/805006353.db2.gz CYINNUSWDZQVKD-UHFFFAOYSA-N -1 0 300.336 -0.376 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)c1n[n-]c2ccccc2c1=O ZINC000812390893 805018100 /nfs/dbraw/zinc/01/81/00/805018100.db2.gz BHQANNUETQURLF-UHFFFAOYSA-N -1 0 324.362 -0.043 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)[N-]OC/C=C\Cl ZINC000812401896 805018983 /nfs/dbraw/zinc/01/89/83/805018983.db2.gz ORYTWNGVGMPKJF-ARJAWSKDSA-N -1 0 300.764 -0.257 20 0 DBADRM CC(C)OCCO[N-]C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000812808273 805022224 /nfs/dbraw/zinc/02/22/24/805022224.db2.gz AKONEWHDCSFZJL-UHFFFAOYSA-N -1 0 309.326 -0.397 20 0 DBADRM CCOC(=O)C(C)(C)CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000813534326 805029059 /nfs/dbraw/zinc/02/90/59/805029059.db2.gz PUVZPFHZFXVKRI-UHFFFAOYSA-N -1 0 322.383 -0.452 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC000813943987 805035561 /nfs/dbraw/zinc/03/55/61/805035561.db2.gz JKIXTTXBBNBDRA-RYUDHWBXSA-N -1 0 317.411 -0.196 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1)C(C)C ZINC000813946180 805035570 /nfs/dbraw/zinc/03/55/70/805035570.db2.gz WFGCRJSECSFBSH-NSHDSACASA-N -1 0 321.399 -0.818 20 0 DBADRM COCCCCC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813946988 805036256 /nfs/dbraw/zinc/03/62/56/805036256.db2.gz VBJLYKHWKIHBEX-UHFFFAOYSA-N -1 0 321.399 -0.672 20 0 DBADRM COCC(C)(C)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813947717 805036440 /nfs/dbraw/zinc/03/64/40/805036440.db2.gz UOHYOKOFZCKRBD-UHFFFAOYSA-N -1 0 321.399 -0.816 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCC(F)F)CC1 ZINC000813948861 805036468 /nfs/dbraw/zinc/03/64/68/805036468.db2.gz NCHJCVSQFITFHF-UHFFFAOYSA-N -1 0 313.326 -0.443 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCOC(C)C)CC1 ZINC000813949121 805036537 /nfs/dbraw/zinc/03/65/37/805036537.db2.gz OMPGVHVZSWKWLV-UHFFFAOYSA-N -1 0 321.399 -0.673 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C2CC2)CC1 ZINC000813950558 805036546 /nfs/dbraw/zinc/03/65/46/805036546.db2.gz VWURXPVNBUGRJW-VXGBXAGGSA-N -1 0 315.395 -0.442 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C(\C)C2CC2)CC1 ZINC000813947513 805036736 /nfs/dbraw/zinc/03/67/36/805036736.db2.gz MKTLGEQOJXJEAA-MDZDMXLPSA-N -1 0 315.395 -0.132 20 0 DBADRM CS[C@H](C)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813948093 805036909 /nfs/dbraw/zinc/03/69/09/805036909.db2.gz CKPKLMNQTKOZDA-MRVPVSSYSA-N -1 0 309.413 -0.737 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cc2ccoc2)CC1 ZINC000813947210 805036962 /nfs/dbraw/zinc/03/69/62/805036962.db2.gz CMOFVIFAJOJUJZ-UHFFFAOYSA-N -1 0 315.351 -0.653 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCSC2)CC1 ZINC000813949800 805037202 /nfs/dbraw/zinc/03/72/02/805037202.db2.gz DLDJHTMTHZCDMG-JTQLQIEISA-N -1 0 321.424 -0.735 20 0 DBADRM CS[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813948095 805037218 /nfs/dbraw/zinc/03/72/18/805037218.db2.gz CKPKLMNQTKOZDA-QMMMGPOBSA-N -1 0 309.413 -0.737 20 0 DBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000813951128 805037391 /nfs/dbraw/zinc/03/73/91/805037391.db2.gz UOJPVWRATLZLQB-SNVBAGLBSA-N -1 0 319.383 -0.025 20 0 DBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000813985801 805037401 /nfs/dbraw/zinc/03/74/01/805037401.db2.gz PQQCMXPTKIVRCS-SNVBAGLBSA-N -1 0 319.383 -0.025 20 0 DBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000813951127 805037715 /nfs/dbraw/zinc/03/77/15/805037715.db2.gz UOJPVWRATLZLQB-JTQLQIEISA-N -1 0 319.383 -0.025 20 0 DBADRM Cc1c(S(=O)(=O)[N-]C(=O)CN(C)C(=O)C2CC2)cnn1C ZINC000813952848 805037788 /nfs/dbraw/zinc/03/77/88/805037788.db2.gz OGAYUEXFSKBHJD-UHFFFAOYSA-N -1 0 314.367 -0.598 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1 ZINC000813991964 805038265 /nfs/dbraw/zinc/03/82/65/805038265.db2.gz RHEYQZGCHVGJRY-UHFFFAOYSA-N -1 0 322.346 -0.054 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cnc2n[nH]nc2c1 ZINC000813991028 805038803 /nfs/dbraw/zinc/03/88/03/805038803.db2.gz SQAXIYATKVEIRG-UHFFFAOYSA-N -1 0 321.322 -0.486 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)OCc1n[nH]c(=O)[n-]1 ZINC000815473823 805055575 /nfs/dbraw/zinc/05/55/75/805055575.db2.gz LETBTHYTYMUYIA-OCAPTIKFSA-N -1 0 306.278 -0.495 20 0 DBADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000815893634 805060616 /nfs/dbraw/zinc/06/06/16/805060616.db2.gz ORSDIZLVPXGPAR-UHFFFAOYSA-N -1 0 324.362 -0.215 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000815895641 805060698 /nfs/dbraw/zinc/06/06/98/805060698.db2.gz APIFNQAAXXTIIJ-UHFFFAOYSA-N -1 0 312.355 -0.233 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCCC1)[C@@H]1CCNC(=O)CC1 ZINC000815921143 805061415 /nfs/dbraw/zinc/06/14/15/805061415.db2.gz XLWVAYKQSZIDGV-JTQLQIEISA-N -1 0 303.384 -0.250 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)CC2CC2)nnn1-c1ccn(C)n1 ZINC000815947746 805062252 /nfs/dbraw/zinc/06/22/52/805062252.db2.gz OJTUEHNJROEEIP-UHFFFAOYSA-N -1 0 324.366 -0.221 20 0 DBADRM CO[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000815962861 805062932 /nfs/dbraw/zinc/06/29/32/805062932.db2.gz DPXMUFBNBPRBJQ-QWRGUYRKSA-N -1 0 306.384 -0.115 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)COc1ccc(Cl)c(F)c1 ZINC000816014327 805064454 /nfs/dbraw/zinc/06/44/54/805064454.db2.gz UUVRCBOPAGQTBR-UHFFFAOYSA-N -1 0 324.717 -0.211 20 0 DBADRM CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000816035030 805064842 /nfs/dbraw/zinc/06/48/42/805064842.db2.gz ZLEYEQAOVMIMFS-RKDXNWHRSA-N -1 0 302.356 -0.175 20 0 DBADRM CCCOCC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816202184 805066536 /nfs/dbraw/zinc/06/65/36/805066536.db2.gz GXVYQFJFDQQTPT-UHFFFAOYSA-N -1 0 303.340 -0.103 20 0 DBADRM CN1CC[C@H](OC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1=O ZINC000816449474 805069929 /nfs/dbraw/zinc/06/99/29/805069929.db2.gz AIRUXJQBKAITLP-DTWKUNHWSA-N -1 0 306.384 -0.276 20 0 DBADRM CC(=O)NCCC[C@@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001287257123 805070034 /nfs/dbraw/zinc/07/00/34/805070034.db2.gz CQHWOCSLGRUITE-MRVPVSSYSA-N -1 0 311.342 -0.364 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ncccc1Cl ZINC000816449003 805070498 /nfs/dbraw/zinc/07/04/98/805070498.db2.gz PENULKXNFIHZCH-UHFFFAOYSA-N -1 0 305.743 -0.069 20 0 DBADRM C[C@H](CCCNC(=O)C(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001287272183 805071857 /nfs/dbraw/zinc/07/18/57/805071857.db2.gz FTMKSVUNDWJKMC-RXMQYKEDSA-N -1 0 319.268 -0.437 20 0 DBADRM C[C@@H](CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001287290957 805072662 /nfs/dbraw/zinc/07/26/62/805072662.db2.gz JCLGJQOEOXUOSL-CIUDSAMLSA-N -1 0 323.353 -0.047 20 0 DBADRM CN1C(=O)CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1=O ZINC000816546017 805072835 /nfs/dbraw/zinc/07/28/35/805072835.db2.gz RTTQQDNOHVPWAB-UHFFFAOYSA-N -1 0 309.244 -0.729 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1nnc2[nH]cnn12 ZINC000816656433 805074207 /nfs/dbraw/zinc/07/42/07/805074207.db2.gz RIXZDESEBKLUKX-UHFFFAOYSA-N -1 0 305.220 -0.152 20 0 DBADRM Cc1cc(-n2cncn2)ccc1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816731380 805078113 /nfs/dbraw/zinc/07/81/13/805078113.db2.gz ORHPPHATMFYELD-UHFFFAOYSA-N -1 0 301.266 -0.038 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1COCCN1CC(F)(F)F ZINC000816731125 805078853 /nfs/dbraw/zinc/07/88/53/805078853.db2.gz BZNGUXNQZJEOMJ-YFKPBYRVSA-N -1 0 311.220 -0.978 20 0 DBADRM O=C(CCn1cnc2ccccc2c1=O)Nn1c(=O)[n-][nH]c1=O ZINC000816730469 805078869 /nfs/dbraw/zinc/07/88/69/805078869.db2.gz AGTFBCBCLCWAMZ-UHFFFAOYSA-N -1 0 316.277 -0.440 20 0 DBADRM Cc1cccc2c(=O)n(CC(=O)Nn3c(=O)[n-][nH]c3=O)cnc12 ZINC000816732271 805079586 /nfs/dbraw/zinc/07/95/86/805079586.db2.gz ZPIVFDHKDKATSO-UHFFFAOYSA-N -1 0 316.277 -0.522 20 0 DBADRM C[C@@H](CC(=O)Nn1c(=O)[n-][nH]c1=O)NC(=O)c1ccccc1 ZINC000816731974 805079633 /nfs/dbraw/zinc/07/96/33/805079633.db2.gz NEMPFMVYTZZTHW-QMMMGPOBSA-N -1 0 305.294 -0.032 20 0 DBADRM CCC(CC)[C@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1CCOCC1 ZINC000816733345 805080022 /nfs/dbraw/zinc/08/00/22/805080022.db2.gz SEMOTNGEWSDQKB-SNVBAGLBSA-N -1 0 313.358 -0.104 20 0 DBADRM O=C(CNC(=O)c1cccc(Cl)c1)Nn1c(=O)[n-][nH]c1=O ZINC000816732027 805080131 /nfs/dbraw/zinc/08/01/31/805080131.db2.gz PKSBMCSFFRAPGN-UHFFFAOYSA-N -1 0 311.685 -0.157 20 0 DBADRM CCn1ncn([N-]C(=O)c2c(C)nn(C)c2-n2cccn2)c1=O ZINC000816736838 805080895 /nfs/dbraw/zinc/08/08/95/805080895.db2.gz NXOSIAPRZCHHJX-UHFFFAOYSA-N -1 0 316.325 -0.324 20 0 DBADRM C[C@@H]1Oc2ccccc2N(CC(=O)Nn2c(=O)[n-][nH]c2=O)C1=O ZINC000816734522 805081127 /nfs/dbraw/zinc/08/11/27/805081127.db2.gz SDQFFNIGLPPTMD-ZETCQYMHSA-N -1 0 319.277 -0.427 20 0 DBADRM CS[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000817116277 805091997 /nfs/dbraw/zinc/09/19/97/805091997.db2.gz RYBCKCFGSUBBJG-BBBLOLIVSA-N -1 0 316.379 -0.301 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H]3COC[C@@H]32)C1 ZINC000817907169 805103538 /nfs/dbraw/zinc/10/35/38/805103538.db2.gz LHFDXZLTPYQFGE-JRPNMDOOSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCO[C@@H](C(F)F)C1)C(=O)[O-] ZINC000817900399 805103560 /nfs/dbraw/zinc/10/35/60/805103560.db2.gz MQRJNECQVLRZMZ-JGVFFNPUSA-N -1 0 308.281 -0.342 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](C(F)F)C2)C1 ZINC000817900607 805103741 /nfs/dbraw/zinc/10/37/41/805103741.db2.gz OMOMHTAWKKYLPW-SDBXPKJASA-N -1 0 320.292 -0.198 20 0 DBADRM COc1ncc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)cn1 ZINC000818315717 805111233 /nfs/dbraw/zinc/11/12/33/805111233.db2.gz ADRLEHDRJYXBJO-SECBINFHSA-N -1 0 318.293 -0.138 20 0 DBADRM CSC[C@H]1CCCN1C(=O)C(=O)NCCOCC(=O)[O-] ZINC000884474131 807051295 /nfs/dbraw/zinc/05/12/95/807051295.db2.gz QSJUXXCCIVQERX-SECBINFHSA-N -1 0 304.368 -0.442 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000884476923 807051323 /nfs/dbraw/zinc/05/13/23/807051323.db2.gz GPXVNYVRIONPBI-LLVKDONJSA-N -1 0 306.265 -0.539 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCNC[C@H]1C(F)F ZINC000818585739 805113897 /nfs/dbraw/zinc/11/38/97/805113897.db2.gz NZNGIGUWANNXRE-QMMMGPOBSA-N -1 0 312.280 -0.863 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000884478377 807051507 /nfs/dbraw/zinc/05/15/07/807051507.db2.gz ZFNOOUFGJVIYBH-NXEZZACHSA-N -1 0 316.379 -0.585 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCCC(F)(F)CC1 ZINC000884478106 807051731 /nfs/dbraw/zinc/05/17/31/807051731.db2.gz QEWZLUQAZWRXHY-UHFFFAOYSA-N -1 0 308.281 -0.148 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000818658036 805116226 /nfs/dbraw/zinc/11/62/26/805116226.db2.gz OWACOAVCQDIDGG-UHFFFAOYSA-N -1 0 322.383 -0.894 20 0 DBADRM CSC1CCN(C(=O)C(=O)NCCOCC(=O)[O-])CC1 ZINC000884478148 807051997 /nfs/dbraw/zinc/05/19/97/807051997.db2.gz RYRWWCUPTLGSIW-UHFFFAOYSA-N -1 0 304.368 -0.442 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CCC2(C1)OCCO2)C(=O)[O-] ZINC000818659179 805116842 /nfs/dbraw/zinc/11/68/42/805116842.db2.gz MGIRXVXIOAFQFJ-UHFFFAOYSA-N -1 0 314.338 -0.421 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2cccc3c2OCC3)C1 ZINC000819094276 805120786 /nfs/dbraw/zinc/12/07/86/805120786.db2.gz JCCKWTSJQKLHDR-CYBMUJFWSA-N -1 0 313.331 -0.168 20 0 DBADRM COc1ccsc1S(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000819095612 805120932 /nfs/dbraw/zinc/12/09/32/805120932.db2.gz XWFVCIPMJOQWJD-SNVBAGLBSA-N -1 0 307.349 -0.033 20 0 DBADRM Cc1nc(C)c(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)s1 ZINC000819094206 805120958 /nfs/dbraw/zinc/12/09/58/805120958.db2.gz BQXNMCDGNVFZDL-JTQLQIEISA-N -1 0 306.365 -0.030 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2cn3c(n2)CCCC3)C1 ZINC000819095079 805121167 /nfs/dbraw/zinc/12/11/67/805121167.db2.gz SYUKVFUJJQLHMB-LBPRGKRZSA-N -1 0 315.351 -0.571 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC000819107331 805122523 /nfs/dbraw/zinc/12/25/23/805122523.db2.gz WLOHRPCHANHVFJ-GFCCVEGCSA-N -1 0 322.383 -0.435 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC000819107332 805122757 /nfs/dbraw/zinc/12/27/57/805122757.db2.gz WLOHRPCHANHVFJ-LBPRGKRZSA-N -1 0 322.383 -0.435 20 0 DBADRM C[C@@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)n1cccn1 ZINC000819508547 805129027 /nfs/dbraw/zinc/12/90/27/805129027.db2.gz FVJUSXIGPNIJIT-VIFPVBQESA-N -1 0 302.356 -0.584 20 0 DBADRM COC(=O)C1(C)CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000819757149 805135650 /nfs/dbraw/zinc/13/56/50/805135650.db2.gz HYLBRBGWHXBRQE-UHFFFAOYSA-N -1 0 305.294 -0.907 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1cc2c(cn1)OCCO2 ZINC000819960018 805137771 /nfs/dbraw/zinc/13/77/71/805137771.db2.gz QCWLTGYQETYIQX-UHFFFAOYSA-N -1 0 313.335 -0.077 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1cc2c(cn1)OCCO2 ZINC000820069024 805143290 /nfs/dbraw/zinc/14/32/90/805143290.db2.gz XBFRWIDXCKXXAQ-QMMMGPOBSA-N -1 0 314.319 -0.299 20 0 DBADRM C[C@]1(C(=O)Nn2c(=O)[n-][nH]c2=O)Cc2ccccc2C(=O)O1 ZINC000820288394 805151857 /nfs/dbraw/zinc/15/18/57/805151857.db2.gz LANIEFIEUHHIIU-CYBMUJFWSA-N -1 0 304.262 -0.069 20 0 DBADRM COc1ccc(C(=O)NCC(=O)Nn2c(=O)[n-][nH]c2=O)cc1 ZINC000820282248 805152018 /nfs/dbraw/zinc/15/20/18/805152018.db2.gz MCXOJVSUZOZRGY-UHFFFAOYSA-N -1 0 307.266 -0.802 20 0 DBADRM NC(=O)N[C@H](CC(=O)Nn1c(=O)[n-][nH]c1=O)c1cccs1 ZINC000820287726 805152148 /nfs/dbraw/zinc/15/21/48/805152148.db2.gz BWNPWTIOMAGHFD-RXMQYKEDSA-N -1 0 312.311 -0.379 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000820292180 805152941 /nfs/dbraw/zinc/15/29/41/805152941.db2.gz QSVDVWIHMHKBJN-BYPYZUCNSA-N -1 0 309.204 -0.830 20 0 DBADRM Cc1ccccc1[C@@H](CC(=O)Nn1c(=O)[n-][nH]c1=O)NC(N)=O ZINC000820291729 805153082 /nfs/dbraw/zinc/15/30/82/805153082.db2.gz KRVOFKXDNBTRSQ-SECBINFHSA-N -1 0 320.309 -0.132 20 0 DBADRM CCn1ncn([N-]C(=O)c2cc(N3CCOCC3)ccn2)c1=O ZINC000820392047 805155423 /nfs/dbraw/zinc/15/54/23/805155423.db2.gz SYOXMPAKVLZSQE-UHFFFAOYSA-N -1 0 318.337 -0.320 20 0 DBADRM CCn1ncn([N-]C(=O)c2cccc3c2oc(=O)n3C)c1=O ZINC000820390369 805155746 /nfs/dbraw/zinc/15/57/46/805155746.db2.gz AIPXSDOFCGOMDK-UHFFFAOYSA-N -1 0 303.278 -0.107 20 0 DBADRM COCCO[N-]C(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000820613429 805160823 /nfs/dbraw/zinc/16/08/23/805160823.db2.gz CIMIMNPIUCGELW-RNFRBKRXSA-N -1 0 305.274 -0.096 20 0 DBADRM COc1ccccc1C(F)(F)C(=O)NC(C(N)=O)C(N)=O ZINC000820617013 805162598 /nfs/dbraw/zinc/16/25/98/805162598.db2.gz OBRJXRCIZJVBBH-UHFFFAOYSA-N -1 0 301.249 -0.758 20 0 DBADRM COC[C@@H](CCO)NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820710309 805164099 /nfs/dbraw/zinc/16/40/99/805164099.db2.gz LGLBQQCHOVHMMR-SECBINFHSA-N -1 0 310.306 -0.163 20 0 DBADRM CC(C)(C)C[C@H](O)[C@@H](NS(=O)(=O)[C@H]1CCOC1)C(=O)[O-] ZINC000821248299 805176779 /nfs/dbraw/zinc/17/67/79/805176779.db2.gz KGGNTMFWJLPRHC-LPEHRKFASA-N -1 0 309.384 -0.055 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)CC(C)(C)C)cn1 ZINC000821251966 805177249 /nfs/dbraw/zinc/17/72/49/805177249.db2.gz WUXIEMPUOWAAOK-NXEZZACHSA-N -1 0 319.383 -0.051 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]1CCCO1 ZINC000821598704 805187188 /nfs/dbraw/zinc/18/71/88/805187188.db2.gz PATGPHRRHBOQNI-VHSXEESVSA-N -1 0 323.367 -0.420 20 0 DBADRM CC(C)[C@@H]1C[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC000824213911 805251931 /nfs/dbraw/zinc/25/19/31/805251931.db2.gz DHHCWJJOLRZQTI-ZJUUUORDSA-N -1 0 320.357 -0.222 20 0 DBADRM CC(C)[C@H]1C[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC000824213903 805251992 /nfs/dbraw/zinc/25/19/92/805251992.db2.gz DHHCWJJOLRZQTI-NXEZZACHSA-N -1 0 320.357 -0.222 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cccc(Cn2cncn2)c1 ZINC001291766100 805264054 /nfs/dbraw/zinc/26/40/54/805264054.db2.gz JSGACSGJDZGZAO-UHFFFAOYSA-N -1 0 315.293 -0.032 20 0 DBADRM CCCNC(=O)CNC(=O)Cc1noc(C)c1-c1nn[nH]n1 ZINC000825328371 805277109 /nfs/dbraw/zinc/27/71/09/805277109.db2.gz QSYCUHIAJBLFJG-UHFFFAOYSA-N -1 0 307.314 -0.652 20 0 DBADRM COC(=O)C(C)(C)n1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)n1 ZINC000825379076 805277848 /nfs/dbraw/zinc/27/78/48/805277848.db2.gz LQMXWXWOPTZXRE-UHFFFAOYSA-N -1 0 323.313 -0.063 20 0 DBADRM Cc1occc(=O)c1OCC(=O)[N-]OCCN1CCCC1=O ZINC000825565672 805283562 /nfs/dbraw/zinc/28/35/62/805283562.db2.gz JHKRVMCVTICNFZ-UHFFFAOYSA-N -1 0 310.306 -0.003 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826149242 805302015 /nfs/dbraw/zinc/30/20/15/805302015.db2.gz CYAHCXNFZDIFDG-ZCFIWIBFSA-N -1 0 314.327 -0.711 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826149241 805302860 /nfs/dbraw/zinc/30/28/60/805302860.db2.gz CYAHCXNFZDIFDG-LURJTMIESA-N -1 0 314.327 -0.711 20 0 DBADRM O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000826469439 805309440 /nfs/dbraw/zinc/30/94/40/805309440.db2.gz HCJOJTWZYNFCEG-SSDOTTSWSA-N -1 0 314.313 -0.272 20 0 DBADRM C[S@@](=O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000826700648 805318788 /nfs/dbraw/zinc/31/87/88/805318788.db2.gz QQOWKXYPWCKZLB-GOSISDBHSA-N -1 0 306.365 -0.852 20 0 DBADRM CCN(CC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)C(=O)[O-] ZINC000827002951 805324353 /nfs/dbraw/zinc/32/43/53/805324353.db2.gz XTELKUAAHHZKBR-LLVKDONJSA-N -1 0 313.354 -0.118 20 0 DBADRM CCN(CC(=O)N[C@H]1CCN(C2CCOCC2)C1=O)C(=O)[O-] ZINC000827002952 805325238 /nfs/dbraw/zinc/32/52/38/805325238.db2.gz XTELKUAAHHZKBR-NSHDSACASA-N -1 0 313.354 -0.118 20 0 DBADRM CC(C)OCCN1CC[NH+](CCC(=O)N(C)CC(=O)[O-])CC1 ZINC000827030439 805325696 /nfs/dbraw/zinc/32/56/96/805325696.db2.gz GNDREEXPQDUGLN-UHFFFAOYSA-N -1 0 315.414 -0.038 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000827577139 805344314 /nfs/dbraw/zinc/34/43/14/805344314.db2.gz ZFAWOPDTOGXYOU-BHVCSQLQSA-N -1 0 313.375 -0.243 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)n1 ZINC000827965641 805357627 /nfs/dbraw/zinc/35/76/27/805357627.db2.gz DWUWPJKJOMTPPR-RKDXNWHRSA-N -1 0 324.341 -0.259 20 0 DBADRM CC[C@@H]1CCC[C@@H]1C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001293012712 805372628 /nfs/dbraw/zinc/37/26/28/805372628.db2.gz JLYWZCDGYDEROW-BDAKNGLRSA-N -1 0 323.353 -0.045 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)[C@H]1CC[C@@H](F)C1 ZINC001293029208 805375488 /nfs/dbraw/zinc/37/54/88/805375488.db2.gz XWUBVRDCWTYOLL-JGVFFNPUSA-N -1 0 315.305 -0.940 20 0 DBADRM CC(C)(C)CC(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001293146873 805388762 /nfs/dbraw/zinc/38/87/62/805388762.db2.gz YASWTSUSVDWQRG-UHFFFAOYSA-N -1 0 311.342 -0.045 20 0 DBADRM CCCC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000829177106 805389730 /nfs/dbraw/zinc/38/97/30/805389730.db2.gz HYEBQJDCYLSTMM-UWVGGRQHSA-N -1 0 314.338 -0.090 20 0 DBADRM CCS(=O)(=O)CCNS(=O)(=O)CCCCCC(=O)[O-] ZINC000829211895 805390723 /nfs/dbraw/zinc/39/07/23/805390723.db2.gz ICLJRACGVXOJMG-UHFFFAOYSA-N -1 0 315.413 -0.015 20 0 DBADRM COCCn1cc(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)cn1 ZINC000829899938 805404916 /nfs/dbraw/zinc/40/49/16/805404916.db2.gz GMXKWOXEYJGREB-LLVKDONJSA-N -1 0 321.330 -0.283 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC000829957852 805408712 /nfs/dbraw/zinc/40/87/12/805408712.db2.gz BUDPHYVOYVYRCK-LBPRGKRZSA-N -1 0 317.367 -0.013 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC000829957851 805408932 /nfs/dbraw/zinc/40/89/32/805408932.db2.gz BUDPHYVOYVYRCK-GFCCVEGCSA-N -1 0 317.367 -0.013 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC000830097357 805420201 /nfs/dbraw/zinc/42/02/01/805420201.db2.gz KIXZIYNGVAKKJW-SNVBAGLBSA-N -1 0 304.328 -0.883 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)Cn2cnnn2)C1 ZINC000830840019 805440298 /nfs/dbraw/zinc/44/02/98/805440298.db2.gz FKVAFRVJORNSJJ-VIFPVBQESA-N -1 0 306.248 -0.657 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000830795739 805440817 /nfs/dbraw/zinc/44/08/17/805440817.db2.gz OIQKJOAPJNEOBL-WRWORJQWSA-N -1 0 307.272 -0.208 20 0 DBADRM CN1CC[C@H](NC(=O)C(=O)Nc2sccc2C(=O)[O-])C1=O ZINC000830929403 805443340 /nfs/dbraw/zinc/44/33/40/805443340.db2.gz ZMSSNDMRQGBGRQ-ZETCQYMHSA-N -1 0 311.319 -0.268 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCCCC(=O)NC1CC1 ZINC000831380834 805452395 /nfs/dbraw/zinc/45/23/95/805452395.db2.gz HEZSHTLSOSINCN-LLVKDONJSA-N -1 0 313.354 -0.070 20 0 DBADRM O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])NC[C@@H]1CCCO1 ZINC000831504687 805455066 /nfs/dbraw/zinc/45/50/66/805455066.db2.gz YOQBHYOUQXOSQI-UWVGGRQHSA-N -1 0 316.310 -0.796 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000831574563 805458093 /nfs/dbraw/zinc/45/80/93/805458093.db2.gz WSRAGXALUKYHMG-WDEREUQCSA-N -1 0 311.338 -0.365 20 0 DBADRM O=C([O-])NCCCOC1CCN(C(=O)Cn2cncn2)CC1 ZINC000832625263 805484937 /nfs/dbraw/zinc/48/49/37/805484937.db2.gz MUGRQPNFXMZCDI-UHFFFAOYSA-N -1 0 311.342 -0.057 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000832746060 805490057 /nfs/dbraw/zinc/49/00/57/805490057.db2.gz WGGZUKKVNOSAEO-SFYZADRCSA-N -1 0 314.260 -0.236 20 0 DBADRM NC(=O)C[C@H]1COCCN1CC(=O)[N-]OCc1ccccc1 ZINC000832751052 805490719 /nfs/dbraw/zinc/49/07/19/805490719.db2.gz KZSCDLJWVRWDKZ-ZDUSSCGKSA-N -1 0 307.350 -0.189 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000832773429 805491409 /nfs/dbraw/zinc/49/14/09/805491409.db2.gz NXNVBYBKSLKPBE-NSHDSACASA-N -1 0 312.370 -0.292 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000832767025 805491691 /nfs/dbraw/zinc/49/16/91/805491691.db2.gz RWBSFRCCQXXADK-MRVPVSSYSA-N -1 0 303.384 -0.272 20 0 DBADRM CO[N-]C(=O)CNC(=O)CSCC(=O)N1CCCCC1 ZINC000832773153 805491958 /nfs/dbraw/zinc/49/19/58/805491958.db2.gz CTAZMZRAFJIKJQ-UHFFFAOYSA-N -1 0 303.384 -0.474 20 0 DBADRM CO[N-]C(=O)CNC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000832776066 805491986 /nfs/dbraw/zinc/49/19/86/805491986.db2.gz DPUWGZWERZOWMY-UHFFFAOYSA-N -1 0 321.333 -0.014 20 0 DBADRM O=C([O-])c1cn(CC(=O)Nc2cccnc2-n2cncn2)nn1 ZINC000833121635 805493704 /nfs/dbraw/zinc/49/37/04/805493704.db2.gz JTDZVLSGSOEFMK-UHFFFAOYSA-N -1 0 314.265 -0.409 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N[C@H](CC(=O)[O-])C1CC1)c2=O ZINC000833063060 805493711 /nfs/dbraw/zinc/49/37/11/805493711.db2.gz VJHCUPFLLMZPIU-SNVBAGLBSA-N -1 0 319.321 -0.501 20 0 DBADRM O=CN1CCC[C@@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000832831520 805493992 /nfs/dbraw/zinc/49/39/92/805493992.db2.gz JHCUZRKLIQDFRT-LLVKDONJSA-N -1 0 302.294 -0.073 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)C(=O)[O-] ZINC000833517429 805495074 /nfs/dbraw/zinc/49/50/74/805495074.db2.gz AYIXRLIZGFWYBT-WOPDTQHZSA-N -1 0 320.411 -0.432 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC000833689758 805495192 /nfs/dbraw/zinc/49/51/92/805495192.db2.gz UZTMBJDMJGIPHZ-UHFFFAOYSA-N -1 0 316.383 -0.363 20 0 DBADRM O=C([O-])N1CC(NC(=O)NC[C@H]2COC3(CCOCC3)O2)C1 ZINC000834039335 805496053 /nfs/dbraw/zinc/49/60/53/805496053.db2.gz YTWCFFSHRJUYRF-JTQLQIEISA-N -1 0 315.326 -0.430 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCCC2(C1)OCCO2 ZINC000834196182 805496284 /nfs/dbraw/zinc/49/62/84/805496284.db2.gz HYCFZLNSTUKVLG-SECBINFHSA-N -1 0 315.326 -0.828 20 0 DBADRM O=C([O-])NCC1(C(=O)N2CCN(C(=O)CO)CC2)CCCC1 ZINC000834206585 805496354 /nfs/dbraw/zinc/49/63/54/805496354.db2.gz LGLQDNNRDZIVJJ-UHFFFAOYSA-N -1 0 313.354 -0.523 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ncnc2[nH]ccc21 ZINC000834324685 805497289 /nfs/dbraw/zinc/49/72/89/805497289.db2.gz FXGHBZYDKFTVFX-UHFFFAOYSA-N -1 0 311.323 -0.895 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCc2cccnc21 ZINC000834324878 805497394 /nfs/dbraw/zinc/49/73/94/805497394.db2.gz MFGUHLOGWBNKPI-SNVBAGLBSA-N -1 0 311.363 -0.307 20 0 DBADRM CC(C)(O)CO[N-]C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000834624443 805513420 /nfs/dbraw/zinc/51/34/20/805513420.db2.gz HGKFKNNMGBIQMV-SNVBAGLBSA-N -1 0 315.351 -0.465 20 0 DBADRM CCCc1nnc(SCC(=O)[N-]OCC(C)(C)O)n1N ZINC000834618208 805513595 /nfs/dbraw/zinc/51/35/95/805513595.db2.gz HPMOAGZTEUGJSW-UHFFFAOYSA-N -1 0 303.388 -0.145 20 0 DBADRM CSCCO[N-]C(=O)CNS(=O)(=O)c1ccccc1N ZINC000834825769 805518222 /nfs/dbraw/zinc/51/82/22/805518222.db2.gz JFCPDMAOXNIQTI-UHFFFAOYSA-N -1 0 319.408 -0.042 20 0 DBADRM O=C(C[C@@H]1CCC(=O)NC1)[N-]S(=O)(=O)N1CCCCC1 ZINC000835099459 805519095 /nfs/dbraw/zinc/51/90/95/805519095.db2.gz YSLHKOSNAINPBI-JTQLQIEISA-N -1 0 303.384 -0.250 20 0 DBADRM COC[C@]1(C(=O)[N-]S(=O)(=O)N2CCCCC2)CCOC1 ZINC000835096441 805519628 /nfs/dbraw/zinc/51/96/28/805519628.db2.gz BRHBVYUCBBKKKY-GFCCVEGCSA-N -1 0 306.384 -0.114 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccn1 ZINC000835218315 805521104 /nfs/dbraw/zinc/52/11/04/805521104.db2.gz FVDVCEPVIRBACZ-JTQLQIEISA-N -1 0 317.367 -0.212 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000835738423 805521763 /nfs/dbraw/zinc/52/17/63/805521763.db2.gz DAQDCTIRYTXHOC-UTLUCORTSA-N -1 0 303.384 -0.060 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(F)(F)C(=O)N1CCOCC1 ZINC000836208018 805525912 /nfs/dbraw/zinc/52/59/12/805525912.db2.gz YSCOQDULSBFBFP-VIFPVBQESA-N -1 0 308.281 -0.435 20 0 DBADRM CC(C)OCCO[N-]C(=O)C(F)(F)C(=O)N1CCOCC1 ZINC000836211450 805526846 /nfs/dbraw/zinc/52/68/46/805526846.db2.gz HTEQEFBXDIPZQP-UHFFFAOYSA-N -1 0 310.297 -0.047 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)C(F)(F)C(=O)N1CCOCC1 ZINC000836232455 805527215 /nfs/dbraw/zinc/52/72/15/805527215.db2.gz BCPLFKPQJRRXQP-SECBINFHSA-N -1 0 310.297 -0.455 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)[N-]O[C@H](CO)C(C)C ZINC000836898280 805529645 /nfs/dbraw/zinc/52/96/45/805529645.db2.gz JKPXAOUQGPNPMC-IUODEOHRSA-N -1 0 312.366 -0.028 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000836902737 805529849 /nfs/dbraw/zinc/52/98/49/805529849.db2.gz UITXCKDKOSXHQG-WDEREUQCSA-N -1 0 308.400 -0.135 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000836902735 805530154 /nfs/dbraw/zinc/53/01/54/805530154.db2.gz UITXCKDKOSXHQG-MNOVXSKESA-N -1 0 308.400 -0.135 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@@H](F)C(=O)[O-] ZINC000837295636 805532961 /nfs/dbraw/zinc/53/29/61/805532961.db2.gz BOYWHVNTZFPAJG-SFYZADRCSA-N -1 0 312.319 -0.729 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CN1CCc2ccccc21 ZINC000838801341 805545726 /nfs/dbraw/zinc/54/57/26/805545726.db2.gz JJIHBEWEXDNTTM-UHFFFAOYSA-N -1 0 312.347 -0.332 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000838804372 805545970 /nfs/dbraw/zinc/54/59/70/805545970.db2.gz TZXVQXLNUDVQGG-QMMMGPOBSA-N -1 0 320.367 -0.748 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)N(C)CC(F)(F)F ZINC000838800347 805546117 /nfs/dbraw/zinc/54/61/17/805546117.db2.gz YVEINOVBMNPNFX-LURJTMIESA-N -1 0 320.289 -0.512 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(N(C)C)c1 ZINC000838799937 805546123 /nfs/dbraw/zinc/54/61/23/805546123.db2.gz IMCFJYIKGQNBKK-UHFFFAOYSA-N -1 0 300.336 -0.015 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cc(C(C)=O)cn1C ZINC000838849349 805546599 /nfs/dbraw/zinc/54/65/99/805546599.db2.gz SVDQUJLMDIDDQE-UHFFFAOYSA-N -1 0 316.335 -0.150 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)OC(C)(C)C ZINC000838807449 805546628 /nfs/dbraw/zinc/54/66/28/805546628.db2.gz NGIGIVOBRNJOSG-SSDOTTSWSA-N -1 0 324.355 -0.481 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)CC(=O)OCC)cn1 ZINC000838845789 805546825 /nfs/dbraw/zinc/54/68/25/805546825.db2.gz WDJGTWXRBSXMNV-UHFFFAOYSA-N -1 0 303.340 -0.084 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)OC)c1 ZINC000838846137 805547023 /nfs/dbraw/zinc/54/70/23/805547023.db2.gz OIZLQFJOSFRCOK-UHFFFAOYSA-N -1 0 318.307 -0.576 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCOC[C@H]1CCCO1 ZINC000838848389 805547095 /nfs/dbraw/zinc/54/70/95/805547095.db2.gz RHIUHNTVVLAKFK-SNVBAGLBSA-N -1 0 323.367 -0.419 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCOC[C@@H]1CCCO1 ZINC000838848388 805547193 /nfs/dbraw/zinc/54/71/93/805547193.db2.gz RHIUHNTVVLAKFK-JTQLQIEISA-N -1 0 323.367 -0.419 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CNC(=O)CCC(C)C ZINC000838846820 805547319 /nfs/dbraw/zinc/54/73/19/805547319.db2.gz FTJIXVILZRBPTI-UHFFFAOYSA-N -1 0 322.383 -0.452 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCCN(C)C(=O)OC ZINC000838849936 805548037 /nfs/dbraw/zinc/54/80/37/805548037.db2.gz GEQRGXVOJYKCSS-UHFFFAOYSA-N -1 0 324.355 -0.526 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1cnn(C)n1 ZINC000838896620 805548501 /nfs/dbraw/zinc/54/85/01/805548501.db2.gz ZKWBSSLOVZOXIC-SECBINFHSA-N -1 0 318.355 -0.394 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC001324950859 807017967 /nfs/dbraw/zinc/01/79/67/807017967.db2.gz BNKNJXIZADMVJJ-SNVBAGLBSA-N -1 0 316.321 -0.042 20 0 DBADRM CCOCCCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001324950887 807018171 /nfs/dbraw/zinc/01/81/71/807018171.db2.gz DQEZWLXTYKPGBT-UHFFFAOYSA-N -1 0 322.383 -0.256 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CF)C2)CCO1 ZINC000883635235 807018839 /nfs/dbraw/zinc/01/88/39/807018839.db2.gz NJDDFOPDKCIZQA-NXEZZACHSA-N -1 0 302.302 -0.494 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](CF)C2)C1 ZINC000883636704 807019140 /nfs/dbraw/zinc/01/91/40/807019140.db2.gz XZEZGUXLMJHHGN-IINYFYTJSA-N -1 0 316.329 -0.246 20 0 DBADRM C[C@H]1SCCN(C(=O)C(=O)NCCOCC(=O)[O-])[C@H]1C ZINC000884476447 807050721 /nfs/dbraw/zinc/05/07/21/807050721.db2.gz QDARBNURWHMRGZ-DTWKUNHWSA-N -1 0 304.368 -0.444 20 0 DBADRM CC(C)CN1CCN(C(=O)C(=O)NCCOCC(=O)[O-])CC1 ZINC000884476762 807050841 /nfs/dbraw/zinc/05/08/41/807050841.db2.gz ZTMJDKGMGXWJJK-UHFFFAOYSA-N -1 0 315.370 -0.996 20 0 DBADRM NC(=O)c1csc(NC(=O)c2c[n-]n3c2nccc3=O)n1 ZINC001325316605 807060921 /nfs/dbraw/zinc/06/09/21/807060921.db2.gz RDYGFGUCDDBUAS-UHFFFAOYSA-N -1 0 304.291 -0.170 20 0 DBADRM CCOC(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCC(=O)[O-] ZINC001325399962 807067103 /nfs/dbraw/zinc/06/71/03/807067103.db2.gz VMEIAKMYVSBUOP-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)NC1CN(C(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC001325439179 807070596 /nfs/dbraw/zinc/07/05/96/807070596.db2.gz SZMNBBVWEVANCR-UHFFFAOYSA-N -1 0 315.326 -0.686 20 0 DBADRM COc1ncccc1CNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001325533150 807078624 /nfs/dbraw/zinc/07/86/24/807078624.db2.gz AKFYTBGXMZVFQR-JTQLQIEISA-N -1 0 309.322 -0.209 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC001325760493 807100828 /nfs/dbraw/zinc/10/08/28/807100828.db2.gz DMSGHKGNMJPEMX-UHFFFAOYSA-N -1 0 320.309 -0.315 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC1 ZINC000887051872 807145413 /nfs/dbraw/zinc/14/54/13/807145413.db2.gz CASFRNZKAPDSTP-GRYCIOLGSA-N -1 0 310.350 -0.461 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C[C@H]1C(=O)[O-] ZINC000887051980 807146912 /nfs/dbraw/zinc/14/69/12/807146912.db2.gz FYTHPFUHEZXTRA-YYHQMBLXSA-N -1 0 324.377 -0.215 20 0 DBADRM O=C(C[C@]1(C(=O)[O-])CCOC1)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000887318027 807155105 /nfs/dbraw/zinc/15/51/05/807155105.db2.gz YQOLBCXJJXNENT-XHDPSFHLSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C(C[C@]1(C(=O)[O-])CCOC1)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000887318025 807155148 /nfs/dbraw/zinc/15/51/48/807155148.db2.gz YQOLBCXJJXNENT-IAQYHMDHSA-N -1 0 310.350 -0.005 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1 ZINC001326199012 807160302 /nfs/dbraw/zinc/16/03/02/807160302.db2.gz HGBGBJLJTWPUID-QWRGUYRKSA-N -1 0 312.366 -0.071 20 0 DBADRM CCOCCN1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001326239822 807163333 /nfs/dbraw/zinc/16/33/33/807163333.db2.gz JYNZRJOJJIRKGZ-UHFFFAOYSA-N -1 0 315.370 -0.852 20 0 DBADRM C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ncnn1C ZINC001326548236 807192378 /nfs/dbraw/zinc/19/23/78/807192378.db2.gz VXFKQUOSPUOJMW-HRDYMLBCSA-N -1 0 309.326 -0.638 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)[N-]OCCOc1ccccc1 ZINC000889445369 807195640 /nfs/dbraw/zinc/19/56/40/807195640.db2.gz XLWZCIIZUINNDQ-UHFFFAOYSA-N -1 0 317.367 -0.491 20 0 DBADRM O=C([N-]OCCOc1ccccc1)[C@@H]1CCS(=O)(=O)N1 ZINC000889443391 807195680 /nfs/dbraw/zinc/19/56/80/807195680.db2.gz DHODLLMNZINPFL-NSHDSACASA-N -1 0 300.336 -0.195 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001326650938 807202106 /nfs/dbraw/zinc/20/21/06/807202106.db2.gz IKFDYAAPLFOMLP-ZCFIWIBFSA-N -1 0 320.289 -0.464 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1CCSCC1 ZINC001326681102 807204946 /nfs/dbraw/zinc/20/49/46/807204946.db2.gz JDEQGTRFQHVMMO-UHFFFAOYSA-N -1 0 303.384 -0.570 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H](CC(C)C)OC ZINC001326688853 807205608 /nfs/dbraw/zinc/20/56/08/807205608.db2.gz MDPIAJUQDQRMJB-JTQLQIEISA-N -1 0 303.359 -0.652 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(c3ccc4nnnn4n3)C2)nn1 ZINC001326692643 807205641 /nfs/dbraw/zinc/20/56/41/807205641.db2.gz LRWVBKNBSVUWLA-QMMMGPOBSA-N -1 0 315.297 -0.350 20 0 DBADRM Cn1cc(CCCNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cn1 ZINC001326917024 807224672 /nfs/dbraw/zinc/22/46/72/807224672.db2.gz VPWUQDFLZACEKX-UHFFFAOYSA-N -1 0 315.337 -0.446 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1 ZINC000898709741 807234899 /nfs/dbraw/zinc/23/48/99/807234899.db2.gz NQDMTSIXVAHVQB-MJVIPROJSA-N -1 0 316.354 -0.477 20 0 DBADRM COC[C@@H](NC(=O)C(=O)[N-]OCCSC)[C@H]1CCCOC1 ZINC000898749803 807235748 /nfs/dbraw/zinc/23/57/48/807235748.db2.gz LLBUBGZSIJBQEA-WDEREUQCSA-N -1 0 320.411 -0.045 20 0 DBADRM COC[C@@H](NC(=O)C(=O)[N-]OCCSC)[C@@H]1CCCOC1 ZINC000898749800 807235782 /nfs/dbraw/zinc/23/57/82/807235782.db2.gz LLBUBGZSIJBQEA-GHMZBOCLSA-N -1 0 320.411 -0.045 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC2(CC2(F)F)CC1 ZINC001327048144 807237071 /nfs/dbraw/zinc/23/70/71/807237071.db2.gz BTMVUTZVAUIXOF-UHFFFAOYSA-N -1 0 319.308 -0.182 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCCO[C@H]1CCOC1 ZINC001327108882 807242034 /nfs/dbraw/zinc/24/20/34/807242034.db2.gz YEJNMODFLJRBFV-NEPJUHHUSA-N -1 0 316.354 -0.618 20 0 DBADRM COCCn1ncc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)c1C ZINC000899038724 807244002 /nfs/dbraw/zinc/24/40/02/807244002.db2.gz AJSXCGWCSQDRSY-SECBINFHSA-N -1 0 309.326 -0.235 20 0 DBADRM Cc1cn2ccnc(C(=O)[N-]N3C(=O)[C@@H](C)N(C)C3=O)c2n1 ZINC000899036494 807244191 /nfs/dbraw/zinc/24/41/91/807244191.db2.gz USOYKCPXHQUVCV-MRVPVSSYSA-N -1 0 302.294 -0.035 20 0 DBADRM CCOC(=O)c1[nH]ccc1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC001327152369 807245538 /nfs/dbraw/zinc/24/55/38/807245538.db2.gz ZPXRRMXBFIKDFU-SSDOTTSWSA-N -1 0 311.294 -0.033 20 0 DBADRM CC(C)(C)n1[n-]cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1=O ZINC000899238143 807254105 /nfs/dbraw/zinc/25/41/05/807254105.db2.gz XHJHSGPQGKTWSB-BDAKNGLRSA-N -1 0 301.368 -0.468 20 0 DBADRM CCN([C@H](C)C(=O)[O-])S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000899565611 807263268 /nfs/dbraw/zinc/26/32/68/807263268.db2.gz HDWIOQFSDZELGY-PSASIEDQSA-N -1 0 304.368 -0.126 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCCOCC2)CC[C@H]1C(=O)[O-] ZINC000899566425 807263333 /nfs/dbraw/zinc/26/33/33/807263333.db2.gz RQQAKBPVYIUDNL-WDEREUQCSA-N -1 0 306.384 -0.004 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)N2CCCOCC2)C1 ZINC000899555757 807263845 /nfs/dbraw/zinc/26/38/45/807263845.db2.gz ULENZDOORBNIQZ-WDEREUQCSA-N -1 0 306.384 -0.004 20 0 DBADRM COC1CCN(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1 ZINC000899938623 807277912 /nfs/dbraw/zinc/27/79/12/807277912.db2.gz UBHNNLSBRKUMMO-URLYPYJESA-N -1 0 304.368 -0.396 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC001327426937 807281599 /nfs/dbraw/zinc/28/15/99/807281599.db2.gz LPRYNXMVYOFFNP-UHFFFAOYSA-N -1 0 307.310 -0.943 20 0 DBADRM CC(C)CNC(=O)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001327444534 807284248 /nfs/dbraw/zinc/28/42/48/807284248.db2.gz JVGHRUSSORJZFD-UHFFFAOYSA-N -1 0 322.321 -0.393 20 0 DBADRM COC[C@](C)(O)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001327480349 807289664 /nfs/dbraw/zinc/28/96/64/807289664.db2.gz PMBCRFKENJVTPH-CYBMUJFWSA-N -1 0 311.294 -0.768 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)nn1 ZINC001327499480 807293305 /nfs/dbraw/zinc/29/33/05/807293305.db2.gz GKYNXHSKBNFUPE-UHFFFAOYSA-N -1 0 323.353 -0.373 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1(C)CCOCC1 ZINC001327507819 807295769 /nfs/dbraw/zinc/29/57/69/807295769.db2.gz PQGNVRNUHXKBIZ-UHFFFAOYSA-N -1 0 301.343 -0.897 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC001327526569 807299047 /nfs/dbraw/zinc/29/90/47/807299047.db2.gz PJAQCHCWZMAAHH-GHMZBOCLSA-N -1 0 313.354 -0.756 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CCOC(C)(C)C1 ZINC001327546306 807301809 /nfs/dbraw/zinc/30/18/09/807301809.db2.gz CCKZNYCCSQVJCN-JTQLQIEISA-N -1 0 315.370 -0.508 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCOC(C)(C)CC ZINC001327571324 807304842 /nfs/dbraw/zinc/30/48/42/807304842.db2.gz JRHJMFCQHUYQIZ-UHFFFAOYSA-N -1 0 303.359 -0.508 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1CSC ZINC001327571897 807305113 /nfs/dbraw/zinc/30/51/13/807305113.db2.gz QSBBPDOFVCUCQJ-SECBINFHSA-N -1 0 303.384 -0.476 20 0 DBADRM COC[C@@H](C)n1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])n1 ZINC001327680841 807322652 /nfs/dbraw/zinc/32/26/52/807322652.db2.gz SWKKERFJNLZBRL-RKDXNWHRSA-N -1 0 312.326 -0.134 20 0 DBADRM COCCCC(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1 ZINC001327813477 807339660 /nfs/dbraw/zinc/33/96/60/807339660.db2.gz RTJDROFPKVNOEC-UHFFFAOYSA-N -1 0 306.384 -0.130 20 0 DBADRM C[C@@H](C(=O)[N-]S(=O)(=O)C1CCCCC1)N1CCNCC1=O ZINC000901021215 807341408 /nfs/dbraw/zinc/34/14/08/807341408.db2.gz VZFMMYMMUOGQRI-JTQLQIEISA-N -1 0 317.411 -0.415 20 0 DBADRM O=C(CN1CCNCC1=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000901059951 807344168 /nfs/dbraw/zinc/34/41/68/807344168.db2.gz UOUIRZGONPIRED-VWYCJHECSA-N -1 0 315.395 -0.947 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001327932347 807357943 /nfs/dbraw/zinc/35/79/43/807357943.db2.gz JJXNRAVTCYJSPC-NSHDSACASA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCc3nccnc3C2)CC1 ZINC001327931738 807358245 /nfs/dbraw/zinc/35/82/45/807358245.db2.gz BNUZVYMENLKRND-UHFFFAOYSA-N -1 0 318.333 -0.316 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000901616461 807365291 /nfs/dbraw/zinc/36/52/91/807365291.db2.gz FGKRFCIRLGYLLV-RNFRBKRXSA-N -1 0 312.244 -0.245 20 0 DBADRM O=C([O-])CCN(C(=O)CN1CCOC1=O)C1CCOCC1 ZINC000901577606 807365378 /nfs/dbraw/zinc/36/53/78/807365378.db2.gz IPCIAFVMVOMISB-UHFFFAOYSA-N -1 0 300.311 -0.079 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000901637042 807365604 /nfs/dbraw/zinc/36/56/04/807365604.db2.gz MNKICYVZRQTYFW-CQSZACIVSA-N -1 0 320.345 -0.001 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000901797962 807365804 /nfs/dbraw/zinc/36/58/04/807365804.db2.gz IBCVBRIQWPUWHH-SKDRFNHKSA-N -1 0 304.368 -0.409 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCO[C@@H](C(F)(F)F)C2)nn1 ZINC000901776479 807366251 /nfs/dbraw/zinc/36/62/51/807366251.db2.gz XAJDZSFEXYBNFO-SSDOTTSWSA-N -1 0 308.216 -0.234 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000901811966 807366275 /nfs/dbraw/zinc/36/62/75/807366275.db2.gz XQQQUFUOYQTTCZ-SKDRFNHKSA-N -1 0 319.383 -0.952 20 0 DBADRM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H](OC)C(=O)[O-])C1 ZINC000901704867 807366427 /nfs/dbraw/zinc/36/64/27/807366427.db2.gz LXZRZSDZLXQLFH-LHLIQPBNSA-N -1 0 312.244 -0.387 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000901745830 807366436 /nfs/dbraw/zinc/36/64/36/807366436.db2.gz DYWXFDJQRYGDPR-RYUDHWBXSA-N -1 0 308.334 -0.098 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCCN(c2nc(C)ns2)CC1 ZINC000901740747 807366481 /nfs/dbraw/zinc/36/64/81/807366481.db2.gz NIYPBKRHVTWTKI-SECBINFHSA-N -1 0 314.367 -0.015 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000901917064 807367257 /nfs/dbraw/zinc/36/72/57/807367257.db2.gz FZVCRHSFRHDHCM-BMIGLBTASA-N -1 0 320.349 -0.460 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000902112658 807368068 /nfs/dbraw/zinc/36/80/68/807368068.db2.gz YVMDJXWHDXZZJB-CQSZACIVSA-N -1 0 308.338 -0.153 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2c(C(=O)[O-])cnn2C)C1 ZINC000902072783 807368089 /nfs/dbraw/zinc/36/80/89/807368089.db2.gz VNBVYHDSFKHLKR-SECBINFHSA-N -1 0 323.353 -0.054 20 0 DBADRM C[C@]1(C(F)F)CN(C(=O)c2cn(CC(=O)[O-])nn2)CCO1 ZINC000902093958 807368226 /nfs/dbraw/zinc/36/82/26/807368226.db2.gz GKHYXWPPSVBYRN-LLVKDONJSA-N -1 0 304.253 -0.141 20 0 DBADRM C[C@@]1(C(F)F)CN(C(=O)c2cn(CC(=O)[O-])nn2)CCO1 ZINC000902093959 807368283 /nfs/dbraw/zinc/36/82/83/807368283.db2.gz GKHYXWPPSVBYRN-NSHDSACASA-N -1 0 304.253 -0.141 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCCCS2(=O)=O)CC[C@H]1C(=O)[O-] ZINC000902162730 807369517 /nfs/dbraw/zinc/36/95/17/807369517.db2.gz UPRNLSXXUWNSLB-WDEREUQCSA-N -1 0 318.395 -0.019 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC000902179341 807370051 /nfs/dbraw/zinc/37/00/51/807370051.db2.gz SGGYREWDWUHBKO-NSHDSACASA-N -1 0 321.333 -0.374 20 0 DBADRM O=C([O-])COCCNC(=O)Cn1cc(Br)cn1 ZINC000902293963 807372071 /nfs/dbraw/zinc/37/20/71/807372071.db2.gz RYOBPFLDUAUDBM-UHFFFAOYSA-N -1 0 306.116 -0.137 20 0 DBADRM O=C(CSCC(=O)N1CCOCC1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000902663570 807379826 /nfs/dbraw/zinc/37/98/26/807379826.db2.gz NAICUTWBYRJCFV-MGCOHNPYSA-N -1 0 316.379 -0.442 20 0 DBADRM CO[C@]1(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCSC1 ZINC000902770376 807381131 /nfs/dbraw/zinc/38/11/31/807381131.db2.gz KPJLSIJRJRUIHD-GFCCVEGCSA-N -1 0 302.352 -0.736 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000902772530 807381482 /nfs/dbraw/zinc/38/14/82/807381482.db2.gz DKDSRIJSTGKVGQ-JTQLQIEISA-N -1 0 311.338 -0.859 20 0 DBADRM CCO[C@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)[C@H]1CCOC1 ZINC000902773690 807381552 /nfs/dbraw/zinc/38/15/52/807381552.db2.gz WIOZBRCXFIPTOE-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cnn(C(F)F)c2)CC1 ZINC000902773641 807381651 /nfs/dbraw/zinc/38/16/51/807381651.db2.gz WCXAGNAVHQOCQK-UHFFFAOYSA-N -1 0 302.237 -0.353 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cn2cc3ccccc3n2)CC1 ZINC000902778981 807382101 /nfs/dbraw/zinc/38/21/01/807382101.db2.gz LOZRCYFBHFNCFG-UHFFFAOYSA-N -1 0 316.317 -0.208 20 0 DBADRM Cn1nccc1CCN1c2c(cnn2C)C([O-])=CS1(=O)=O ZINC000902833854 807382913 /nfs/dbraw/zinc/38/29/13/807382913.db2.gz ODSNCUWAZWZQFK-UHFFFAOYSA-N -1 0 309.351 -0.271 20 0 DBADRM CO[C@@H]1CCCN([N-]C(=O)C(F)(F)C(=O)N2CCOCC2)C1 ZINC000902926633 807383865 /nfs/dbraw/zinc/38/38/65/807383865.db2.gz VUVVXWPZECDTKI-SNVBAGLBSA-N -1 0 321.324 -0.378 20 0 DBADRM CC[C@@H]1CN(S(=O)(=O)N(C)CCOC)C[C@@]1(F)C(=O)[O-] ZINC000903025764 807387006 /nfs/dbraw/zinc/38/70/06/807387006.db2.gz ISMDTRJGPVGWEU-KOLCDFICSA-N -1 0 312.363 -0.056 20 0 DBADRM CSC[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC000903055030 807387336 /nfs/dbraw/zinc/38/73/36/807387336.db2.gz WCLOANOWXLTCCD-QMMMGPOBSA-N -1 0 312.413 -0.252 20 0 DBADRM CC[C@H](CS(=O)(=O)[N-]C1(CS(C)(=O)=O)COC1)OC ZINC000903175414 807387928 /nfs/dbraw/zinc/38/79/28/807387928.db2.gz QFPRBJDXKJIIRE-SECBINFHSA-N -1 0 315.413 -0.856 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000903511870 807392654 /nfs/dbraw/zinc/39/26/54/807392654.db2.gz YVZBYJTZCPOBCN-USZNOCQGSA-N -1 0 316.379 -0.039 20 0 DBADRM COC[C@H]1COCCN1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000903533019 807393325 /nfs/dbraw/zinc/39/33/25/807393325.db2.gz ZHYLDDHXGWUIHE-QWRGUYRKSA-N -1 0 322.383 -0.625 20 0 DBADRM COC[C@@H]1COCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000903532941 807393636 /nfs/dbraw/zinc/39/36/36/807393636.db2.gz WARPBOONKHDEIG-LLVKDONJSA-N -1 0 322.383 -0.625 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)no1 ZINC001328209834 807393927 /nfs/dbraw/zinc/39/39/27/807393927.db2.gz QVGRUVCGEQHGHD-SNVBAGLBSA-N -1 0 311.294 -0.082 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCc2ccc(O)cc21 ZINC001328213197 807394431 /nfs/dbraw/zinc/39/44/31/807394431.db2.gz MYOORVFEJPKKIB-GFCCVEGCSA-N -1 0 321.333 -0.320 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCO[C@H]1CC1(F)F ZINC001328242266 807398282 /nfs/dbraw/zinc/39/82/82/807398282.db2.gz UQBYKRZQSHEUGN-IUCAKERBSA-N -1 0 308.281 -0.389 20 0 DBADRM COCCCn1nc(C(=O)NCCOCC(=O)[O-])ccc1=O ZINC001328336516 807413874 /nfs/dbraw/zinc/41/38/74/807413874.db2.gz DVWUIYGODRYXMH-UHFFFAOYSA-N -1 0 313.310 -0.889 20 0 DBADRM CNC(=O)CCCCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC001328388921 807420772 /nfs/dbraw/zinc/42/07/72/807420772.db2.gz VPHMQYQZVGDWFT-JTQLQIEISA-N -1 0 315.370 -0.269 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000904941010 807427584 /nfs/dbraw/zinc/42/75/84/807427584.db2.gz SUGYXRXOQPCRRG-DTORHVGOSA-N -1 0 320.292 -0.340 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@@H](OC)C1 ZINC000904935941 807427706 /nfs/dbraw/zinc/42/77/06/807427706.db2.gz FANNVGBNKLBVFD-LLVKDONJSA-N -1 0 316.354 -0.427 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@H](CF)C1 ZINC000904941752 807427770 /nfs/dbraw/zinc/42/77/70/807427770.db2.gz ROMNRKHFEWGPMK-SNVBAGLBSA-N -1 0 320.317 -0.867 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1C[C@H](C)OC[C@H]1C ZINC000904936270 807427843 /nfs/dbraw/zinc/42/78/43/807427843.db2.gz KDEIWIPHQBXSFS-MNOVXSKESA-N -1 0 316.354 -0.428 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@H](COC)C1 ZINC000904937447 807427853 /nfs/dbraw/zinc/42/78/53/807427853.db2.gz YCBQWKDRZPNAGA-LLVKDONJSA-N -1 0 316.354 -0.569 20 0 DBADRM CCN(C(=O)C(=O)NCCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001328449337 807427877 /nfs/dbraw/zinc/42/78/77/807427877.db2.gz CIZVHYQREIECLJ-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N(C)C[C@@H]1CCCO1 ZINC000904936784 807428014 /nfs/dbraw/zinc/42/80/14/807428014.db2.gz RBIBIWNDZRAKMA-NSHDSACASA-N -1 0 316.354 -0.427 20 0 DBADRM C[C@@H]1CSCCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000904943268 807428033 /nfs/dbraw/zinc/42/80/33/807428033.db2.gz LTSSCOBPKFHGLY-NXEZZACHSA-N -1 0 316.379 -0.348 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001328477210 807431561 /nfs/dbraw/zinc/43/15/61/807431561.db2.gz IMAPYCVGALJIQC-UHFFFAOYSA-N -1 0 309.366 -0.312 20 0 DBADRM NC(=O)NCCCCC(=O)[N-]S(=O)(=O)c1ccccn1 ZINC001328552582 807441572 /nfs/dbraw/zinc/44/15/72/807441572.db2.gz YSRWLDRRBDMZGE-UHFFFAOYSA-N -1 0 300.340 -0.275 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCOC[C@@]23CCOC3)CCC1 ZINC000905039207 807443892 /nfs/dbraw/zinc/44/38/92/807443892.db2.gz SGWVFFFKCVQKOH-NSHDSACASA-N -1 0 305.352 -0.185 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc2c1COC2=O ZINC001328728439 807461381 /nfs/dbraw/zinc/46/13/81/807461381.db2.gz QUGWSVMWQKESTF-UHFFFAOYSA-N -1 0 321.289 -0.521 20 0 DBADRM COC1CCN(S(=O)(=O)N[C@H](CSC)C(=O)[O-])CC1 ZINC000906005435 807475744 /nfs/dbraw/zinc/47/57/44/807475744.db2.gz QJPLWCHWHXTEGI-SECBINFHSA-N -1 0 312.413 -0.252 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1c2c(nn1C)CCCC2 ZINC000906297952 807482648 /nfs/dbraw/zinc/48/26/48/807482648.db2.gz QJIOBUYXDUPFPX-UHFFFAOYSA-N -1 0 305.342 -0.394 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCCn2cncn2)CC[C@@H]1C(=O)[O-] ZINC001328966117 807496654 /nfs/dbraw/zinc/49/66/54/807496654.db2.gz VETSBTKZKNDMNB-QWRGUYRKSA-N -1 0 323.353 -0.646 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H]1c1ccccn1 ZINC001328998507 807503422 /nfs/dbraw/zinc/50/34/22/807503422.db2.gz GZMLQLGCRAKQOF-LBPRGKRZSA-N -1 0 320.349 -0.071 20 0 DBADRM CCOC[C@@H]1CCCN(C(=O)C(=O)NCC(=O)[N-]OCC)C1 ZINC001328999641 807503507 /nfs/dbraw/zinc/50/35/07/807503507.db2.gz NFJNBZRQKOUSRF-LLVKDONJSA-N -1 0 315.370 -0.555 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCS[C@H](CC)C1 ZINC001329001431 807503854 /nfs/dbraw/zinc/50/38/54/807503854.db2.gz VADLVACDCSAMOU-SECBINFHSA-N -1 0 303.384 -0.476 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1)C(=O)[O-] ZINC001329113347 807523272 /nfs/dbraw/zinc/52/32/72/807523272.db2.gz JFLJZQVVKLSRHW-ZJUUUORDSA-N -1 0 324.337 -0.305 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC2(CCC2)OC[C@@H]1C ZINC001329113570 807523478 /nfs/dbraw/zinc/52/34/78/807523478.db2.gz LCNXLCAJMSASRF-JTQLQIEISA-N -1 0 313.354 -0.660 20 0 DBADRM CCN1C[C@@H](C(=O)N2CCSC[C@H]2c2nnn[n-]2)CC1=O ZINC000907477078 807531093 /nfs/dbraw/zinc/53/10/93/807531093.db2.gz PNJOVVATHLCQEW-IUCAKERBSA-N -1 0 310.383 -0.315 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907472492 807531910 /nfs/dbraw/zinc/53/19/10/807531910.db2.gz OEAQZHHWWIJGKU-VHSXEESVSA-N -1 0 310.383 -0.173 20 0 DBADRM CN1CCC[C@@H](C(=O)N2CCSC[C@@H]2c2nnn[n-]2)C1=O ZINC000907474933 807532004 /nfs/dbraw/zinc/53/20/04/807532004.db2.gz ICWZNPPPQFXQBS-RKDXNWHRSA-N -1 0 310.383 -0.315 20 0 DBADRM O=C([N-]OCCO)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC000907482801 807533117 /nfs/dbraw/zinc/53/31/17/807533117.db2.gz JNFOWCWIIIJFLN-ONGXEEELSA-N -1 0 309.240 -0.163 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCc2cnn(C)c2)CC[C@H]1C(=O)[O-] ZINC001329434226 807564629 /nfs/dbraw/zinc/56/46/29/807564629.db2.gz QRYXQMGKRCHYEJ-ZYHUDNBSSA-N -1 0 322.365 -0.352 20 0 DBADRM COC(=O)[C@](C)(Cn1cccn1)[N-]S(=O)(=O)C[C@@H](C)OC ZINC000908397952 807592121 /nfs/dbraw/zinc/59/21/21/807592121.db2.gz XDLPXURQIVWMRB-PWSUYJOCSA-N -1 0 319.383 -0.231 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC[C@@H]1O ZINC001329609035 807593317 /nfs/dbraw/zinc/59/33/17/807593317.db2.gz OLGNVWDOBZNYRG-WYUUTHIRSA-N -1 0 312.366 -0.215 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(c2nncn2C)CC1 ZINC001329635321 807595845 /nfs/dbraw/zinc/59/58/45/807595845.db2.gz FUOGVICDWXAIPI-UHFFFAOYSA-N -1 0 310.358 -0.228 20 0 DBADRM CCCN(C(=O)NC[C@H]1COCCO1)[C@@H](COC)C(=O)[O-] ZINC000908689589 807602587 /nfs/dbraw/zinc/60/25/87/807602587.db2.gz URESHZWELMEQIA-QWRGUYRKSA-N -1 0 304.343 -0.077 20 0 DBADRM COCCOCCNC(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC000908889311 807604608 /nfs/dbraw/zinc/60/46/08/807604608.db2.gz OQUKRGSCPJTISR-GXFFZTMASA-N -1 0 304.343 -0.077 20 0 DBADRM COCC1(CNC(=O)N2CCOC[C@H]2C(=O)[O-])CCOCC1 ZINC000909164153 807608776 /nfs/dbraw/zinc/60/87/76/807608776.db2.gz UZWSFSSNHULKFV-NSHDSACASA-N -1 0 316.354 -0.075 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC001329795806 807621012 /nfs/dbraw/zinc/62/10/12/807621012.db2.gz XYNYWLAIEZVZNG-LLVKDONJSA-N -1 0 314.386 -0.982 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)c2ncnn21 ZINC001329823340 807624826 /nfs/dbraw/zinc/62/48/26/807624826.db2.gz KNAIAHNMEXJPRR-DTWKUNHWSA-N -1 0 321.337 -0.229 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)c2ncnn21 ZINC001329823341 807625144 /nfs/dbraw/zinc/62/51/44/807625144.db2.gz KNAIAHNMEXJPRR-IUCAKERBSA-N -1 0 321.337 -0.229 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC2=C(CCC(=O)N2)C1 ZINC001329823321 807625256 /nfs/dbraw/zinc/62/52/56/807625256.db2.gz JUFASOPEXHPRFG-UHFFFAOYSA-N -1 0 309.322 -0.636 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCN(C(=O)OCC)C1 ZINC001329847473 807630500 /nfs/dbraw/zinc/63/05/00/807630500.db2.gz DEQKJAOXQGDJLD-SNVBAGLBSA-N -1 0 317.342 -0.582 20 0 DBADRM CCOC(=O)N1CC[C@@H](NC(=O)C(=O)[N-]OCCSC)C1 ZINC001329851578 807630532 /nfs/dbraw/zinc/63/05/32/807630532.db2.gz ZPLSGUCBZNNWTQ-SECBINFHSA-N -1 0 319.383 -0.256 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1nn(C)cc1Br ZINC000922710655 807634534 /nfs/dbraw/zinc/63/45/34/807634534.db2.gz KVGQNVNQXBQZPQ-UHFFFAOYSA-N -1 0 320.147 -0.341 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@@]1(OC(C)C)CCOC1 ZINC000923078350 807647955 /nfs/dbraw/zinc/64/79/55/807647955.db2.gz FOLMYJASPLQLHU-ZDUSSCGKSA-N -1 0 303.359 -0.063 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H](C)c1nnnn1C1CC1 ZINC001329995714 807655633 /nfs/dbraw/zinc/65/56/33/807655633.db2.gz NJRJNITWENUKRL-QMMMGPOBSA-N -1 0 312.330 -0.731 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nn1 ZINC001330007366 807658712 /nfs/dbraw/zinc/65/87/12/807658712.db2.gz GXVWGLGZPYVSDV-GXSJLCMTSA-N -1 0 323.353 -0.517 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCc2ccnn2C)CC[C@H]1C(=O)[O-] ZINC001330009335 807658961 /nfs/dbraw/zinc/65/89/61/807658961.db2.gz RFLLWCVXYXWRRY-CMPLNLGQSA-N -1 0 322.365 -0.352 20 0 DBADRM Cn1cnc2cc(NC(=O)C(=O)NCc3nnn[n-]3)ccc21 ZINC001330112188 807674735 /nfs/dbraw/zinc/67/47/35/807674735.db2.gz CYBVKIHGLNBOOZ-UHFFFAOYSA-N -1 0 300.282 -0.659 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCCCS(C)(=O)=O)O[C@H]1C(=O)[O-] ZINC001330252673 807690147 /nfs/dbraw/zinc/69/01/47/807690147.db2.gz JDPGSZBAJRVMCF-OPRDCNLKSA-N -1 0 307.368 -0.194 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCCC1(CO)CC1 ZINC001330508313 807725346 /nfs/dbraw/zinc/72/53/46/807725346.db2.gz YHRVWGSFAOYMKA-UHFFFAOYSA-N -1 0 307.306 -0.003 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](CCF)C1 ZINC001330647381 807740889 /nfs/dbraw/zinc/74/08/89/807740889.db2.gz ZUCOSIZQGWTUHW-JTQLQIEISA-N -1 0 303.334 -0.232 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCOC[C@@H]2CC2CC2)C1 ZINC000926276093 807756092 /nfs/dbraw/zinc/75/60/92/807756092.db2.gz GNCBWYZOZGZVTI-RYUDHWBXSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC000926339315 807761757 /nfs/dbraw/zinc/76/17/57/807761757.db2.gz LYFCOLHPQBSING-XYJRDEOASA-N -1 0 324.377 -0.215 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)[C@@H]1CO ZINC000926344013 807762326 /nfs/dbraw/zinc/76/23/26/807762326.db2.gz VMQFJLWGOYEIQW-FTYKPCCVSA-N -1 0 324.377 -0.215 20 0 DBADRM C[C@@]1(CO)CCCN1C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926343380 807762460 /nfs/dbraw/zinc/76/24/60/807762460.db2.gz RROAOEYSSJPVQH-OZVIIMIRSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@]1(O)CCCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC000926347769 807762670 /nfs/dbraw/zinc/76/26/70/807762670.db2.gz RUAPGVJQYSDYKW-OZVIIMIRSA-N -1 0 324.377 -0.071 20 0 DBADRM CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1(C)C ZINC001331052263 807766714 /nfs/dbraw/zinc/76/67/14/807766714.db2.gz WCMYMXKOTHSWQE-WDEREUQCSA-N -1 0 311.382 -0.092 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC001331080434 807768641 /nfs/dbraw/zinc/76/86/41/807768641.db2.gz NKHKUWXAORGKAP-GARJFASQSA-N -1 0 310.350 -0.007 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN(C)CC2)C1 ZINC000926405232 807768977 /nfs/dbraw/zinc/76/89/77/807768977.db2.gz ATFUJJOGFJHILA-HNNXBMFYSA-N -1 0 311.382 -0.136 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(C)C[C@H](C)O)C1 ZINC000926406459 807769487 /nfs/dbraw/zinc/76/94/87/807769487.db2.gz CCSGCMHUVSRSAW-HZMBPMFUSA-N -1 0 300.355 -0.071 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(c2ccccc2O)CC1 ZINC000927205475 807783256 /nfs/dbraw/zinc/78/32/56/807783256.db2.gz JNSJODOOKNCXKN-UHFFFAOYSA-N -1 0 308.338 -0.099 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(Cc2cscn2)CC1 ZINC000927206603 807783436 /nfs/dbraw/zinc/78/34/36/807783436.db2.gz NQFBNKHEPBQODT-UHFFFAOYSA-N -1 0 313.383 -0.352 20 0 DBADRM CC[C@@H]1CN(C(=O)NCC(=O)[N-]OC)C[C@@H]1N1CCOCC1 ZINC000927211815 807784568 /nfs/dbraw/zinc/78/45/68/807784568.db2.gz GJPHRQFXJAMRQF-NEPJUHHUSA-N -1 0 314.386 -0.584 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000927212303 807784636 /nfs/dbraw/zinc/78/46/36/807784636.db2.gz RYTPISRETJRMJV-NSHDSACASA-N -1 0 312.370 -0.292 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(c2cc(C)ccn2)CC1 ZINC000927213460 807784876 /nfs/dbraw/zinc/78/48/76/807784876.db2.gz VBNFROHVUUNKEI-UHFFFAOYSA-N -1 0 307.354 -0.101 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000927212255 807785044 /nfs/dbraw/zinc/78/50/44/807785044.db2.gz RCQRXAZHLJGEJB-NSHDSACASA-N -1 0 311.342 -0.720 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC ZINC000927214213 807785871 /nfs/dbraw/zinc/78/58/71/807785871.db2.gz HOLYAKPSXABVMB-TUAOUCFPSA-N -1 0 315.370 -0.111 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000927216902 807786056 /nfs/dbraw/zinc/78/60/56/807786056.db2.gz UBTFJROJZKPEJA-CYBMUJFWSA-N -1 0 320.349 -0.145 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCCCCCNC(=O)CC1 ZINC000927219638 807786786 /nfs/dbraw/zinc/78/67/86/807786786.db2.gz ICJVQRCXLYFKSY-UHFFFAOYSA-N -1 0 300.359 -0.244 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000927217184 807787173 /nfs/dbraw/zinc/78/71/73/807787173.db2.gz SLLPOVKIPQCSOC-LLVKDONJSA-N -1 0 312.370 -0.150 20 0 DBADRM CO[N-]C(=O)CNC(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 ZINC000927217043 807787178 /nfs/dbraw/zinc/78/71/78/807787178.db2.gz IYSQQHGZLIWBFM-LBPRGKRZSA-N -1 0 314.386 -0.584 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCN(CC2CC2)CC1)C(=O)[O-] ZINC000927957332 807800784 /nfs/dbraw/zinc/80/07/84/807800784.db2.gz UVRZQZLJEOPKQY-LBPRGKRZSA-N -1 0 311.382 -0.232 20 0 DBADRM COC[C@H](NC(=O)N1CCOC[C@@H]1C(=O)[O-])[C@@H]1CCCO1 ZINC000929048675 807822543 /nfs/dbraw/zinc/82/25/43/807822543.db2.gz GOWOPTCPCVDYFQ-AXFHLTTASA-N -1 0 302.327 -0.325 20 0 DBADRM Cc1cnc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001038034792 815151568 /nfs/dbraw/zinc/15/15/68/815151568.db2.gz HVEQVFHJHABRJI-SECBINFHSA-N -1 0 303.326 -0.387 20 0 DBADRM COC(=O)C[C@@H](C)N1CCN(C(=O)[C@H](OC)C(=O)[O-])CC1 ZINC001331934212 807853155 /nfs/dbraw/zinc/85/31/55/807853155.db2.gz LGEOWCHSRCXTRM-KOLCDFICSA-N -1 0 302.327 -0.818 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCCSC)C1 ZINC001332136751 807877096 /nfs/dbraw/zinc/87/70/96/807877096.db2.gz JKMPDRVWBCYMCH-CYBMUJFWSA-N -1 0 318.395 -0.195 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCCSC)C1 ZINC001332136752 807877305 /nfs/dbraw/zinc/87/73/05/807877305.db2.gz JKMPDRVWBCYMCH-ZDUSSCGKSA-N -1 0 318.395 -0.195 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001332167165 807880650 /nfs/dbraw/zinc/88/06/50/807880650.db2.gz PHTWLXRSOGIECD-DZHLUBAWSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCO[C@@H](C(F)F)C1 ZINC001332183035 807881405 /nfs/dbraw/zinc/88/14/05/807881405.db2.gz NYGFXWJESYQJRA-BWZBUEFSSA-N -1 0 306.265 -0.542 20 0 DBADRM COC/C(C)=C/C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001332208470 807884968 /nfs/dbraw/zinc/88/49/68/807884968.db2.gz PRICCCVQPFBBHD-FMIVXFBMSA-N -1 0 300.355 -0.176 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCc2nc(C(F)(F)F)n[nH]2)cn1 ZINC001332239662 807888426 /nfs/dbraw/zinc/88/84/26/807888426.db2.gz WDUPSGANTMPJGA-UHFFFAOYSA-N -1 0 317.231 -0.188 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC2(CNC(=O)C2)CC1 ZINC001332390100 807911036 /nfs/dbraw/zinc/91/10/36/807911036.db2.gz DXZVUBHYIDLJJC-UHFFFAOYSA-N -1 0 311.338 -0.904 20 0 DBADRM O=C([O-])C1(C(=O)N2CCSCC2)CCS(=O)(=O)CC1 ZINC001332422773 807916392 /nfs/dbraw/zinc/91/63/92/807916392.db2.gz KANYMLOJXKGWAS-UHFFFAOYSA-N -1 0 307.393 -0.159 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2[C@@H](C)C(=O)N(C)C)c1[O-] ZINC001038164226 815160455 /nfs/dbraw/zinc/16/04/55/815160455.db2.gz GDUOPUBSSJOZDE-UWVGGRQHSA-N -1 0 309.370 -0.295 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1cc(F)ccc1F ZINC001332607777 807948399 /nfs/dbraw/zinc/94/83/99/807948399.db2.gz BSSSXOWLESIAGT-UHFFFAOYSA-N -1 0 301.249 -0.625 20 0 DBADRM COCCOCCN1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC001332610232 807949377 /nfs/dbraw/zinc/94/93/77/807949377.db2.gz JAGPYBBJNUGXFW-UHFFFAOYSA-N -1 0 317.386 -0.159 20 0 DBADRM C/C(=C\C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)CN1CCOCC1 ZINC001332629452 807954325 /nfs/dbraw/zinc/95/43/25/807954325.db2.gz PLKMUWHNJJIGFN-OXJBHRBVSA-N -1 0 312.366 -0.035 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCc1nc2c(s1)CCC2 ZINC000932361346 807965201 /nfs/dbraw/zinc/96/52/01/807965201.db2.gz ULPUVCPFRBIMMH-UHFFFAOYSA-N -1 0 313.379 -0.015 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(C(=O)CC(C)C)CC1 ZINC001332743917 807972527 /nfs/dbraw/zinc/97/25/27/807972527.db2.gz NBKURVMWGSYJQB-UHFFFAOYSA-N -1 0 314.386 -0.046 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001332818092 807983526 /nfs/dbraw/zinc/98/35/26/807983526.db2.gz HVKUZFVLFFRUNC-QMMMGPOBSA-N -1 0 313.276 -0.567 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(F)c(Cl)c1 ZINC001333059046 808010638 /nfs/dbraw/zinc/01/06/38/808010638.db2.gz PTGBHUUKZLKZCW-UHFFFAOYSA-N -1 0 317.704 -0.111 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC001333124460 808018693 /nfs/dbraw/zinc/01/86/93/808018693.db2.gz IPKCBOSOMOWGKH-QMTHXVAHSA-N -1 0 314.338 -0.628 20 0 DBADRM COCCOCc1cc(=O)n([C@@H]2CCCS(=O)(=O)C2)[n-]1 ZINC001333218556 808030293 /nfs/dbraw/zinc/03/02/93/808030293.db2.gz LBPVWSYXPROBSZ-LLVKDONJSA-N -1 0 304.368 -0.185 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2ccccc2CC1 ZINC001333297788 808041386 /nfs/dbraw/zinc/04/13/86/808041386.db2.gz RWJDTADBWGYDAS-UHFFFAOYSA-N -1 0 305.334 -0.592 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCCN1CCOCC1 ZINC001333316800 808043355 /nfs/dbraw/zinc/04/33/55/808043355.db2.gz QNMMXJMCQPAAPR-QWRGUYRKSA-N -1 0 303.334 -0.085 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC001333333841 808045181 /nfs/dbraw/zinc/04/51/81/808045181.db2.gz GCHVCPJOSYWOMW-MADCSZMMSA-N -1 0 323.296 -0.949 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC001333334774 808046162 /nfs/dbraw/zinc/04/61/62/808046162.db2.gz JYVSTMQOBUBJFV-WDEREUQCSA-N -1 0 313.354 -0.802 20 0 DBADRM C/C(=C\C(=O)NCCn1cnc(C(=O)[O-])c1)CN1CCOCC1 ZINC001333335743 808046484 /nfs/dbraw/zinc/04/64/84/808046484.db2.gz WLJCPVCJEQDWIE-XYOKQWHBSA-N -1 0 322.365 -0.024 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001333346165 808047834 /nfs/dbraw/zinc/04/78/34/808047834.db2.gz GOOKAMZADCBRPQ-WRWGMCAJSA-N -1 0 310.350 -0.149 20 0 DBADRM COc1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001038259412 815171122 /nfs/dbraw/zinc/17/11/22/815171122.db2.gz XRLIOASSHQVIQB-MRVPVSSYSA-N -1 0 319.325 -0.687 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCC(=O)NC1CC1 ZINC001333515858 808071001 /nfs/dbraw/zinc/07/10/01/808071001.db2.gz NESDDXBKRBMKJV-UHFFFAOYSA-N -1 0 306.278 -0.887 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC001333540648 808073249 /nfs/dbraw/zinc/07/32/49/808073249.db2.gz YVNXSSYGRXSVCA-UHFFFAOYSA-N -1 0 307.228 -0.339 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCSC[C@@H]1C ZINC001333599346 808079017 /nfs/dbraw/zinc/07/90/17/808079017.db2.gz PJAGMAFOUDKOFE-VIFPVBQESA-N -1 0 303.384 -0.476 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1)c1cn[nH]n1 ZINC000938238198 808086325 /nfs/dbraw/zinc/08/63/25/808086325.db2.gz HLNGNIZOMSAQFM-LOWVWBTDSA-N -1 0 319.365 -0.050 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)N1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000938238439 808087121 /nfs/dbraw/zinc/08/71/21/808087121.db2.gz XFSPNMKVXHWBAD-IUCAKERBSA-N -1 0 307.310 -0.911 20 0 DBADRM Cc1cc(CC(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)C2)no1 ZINC000938238122 808087463 /nfs/dbraw/zinc/08/74/63/808087463.db2.gz REFZUINQBWUYRS-VIFPVBQESA-N -1 0 304.310 -0.325 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1)c1cn[nH]n1 ZINC000938238164 808087541 /nfs/dbraw/zinc/08/75/41/808087541.db2.gz GCDLIITTYWPLBU-MRBYEJRBSA-N -1 0 319.365 -0.050 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2ccc(F)nc2)C1)c1cn[nH]n1 ZINC000938238249 808087810 /nfs/dbraw/zinc/08/78/10/808087810.db2.gz RVHCFZCQFBBFFN-VIFPVBQESA-N -1 0 304.285 -0.017 20 0 DBADRM O=C([O-])[C@H]1Cn2cnnc2CN1S(=O)(=O)CCCCF ZINC001333860127 808104364 /nfs/dbraw/zinc/10/43/64/808104364.db2.gz TYRVSXYNSSKAFY-MRVPVSSYSA-N -1 0 306.319 -0.374 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC001334313614 808151710 /nfs/dbraw/zinc/15/17/10/808151710.db2.gz IHEQSIUUASBVBC-JTQLQIEISA-N -1 0 301.343 -0.309 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)CC[C@@H]2CCCO2)C1=O ZINC001334341541 808154362 /nfs/dbraw/zinc/15/43/62/808154362.db2.gz BHADASCFOLKILJ-VHSXEESVSA-N -1 0 304.368 -0.520 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1=O ZINC001334406130 808161878 /nfs/dbraw/zinc/16/18/78/808161878.db2.gz ZCWCETQYIVYWTM-XLKFXECMSA-N -1 0 321.337 -0.282 20 0 DBADRM CC1(C(=O)N2CCC(NC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)CC1 ZINC000947009024 808163233 /nfs/dbraw/zinc/16/32/33/808163233.db2.gz XYIQFDDZLUNFTQ-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CN1C[C@@H](C(=O)N2CCC(NC(=O)c3cn[nH]n3)CC2)CC1=O ZINC000947029498 808165846 /nfs/dbraw/zinc/16/58/46/808165846.db2.gz CSVYXPUHANAADC-VIFPVBQESA-N -1 0 320.353 -0.996 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)Cn2cccn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947057364 808168563 /nfs/dbraw/zinc/16/85/63/808168563.db2.gz QZSWGQJKQCBUQU-MNOVXSKESA-N -1 0 319.369 -0.124 20 0 DBADRM CCSCC[C@H](C)N(C)C(=O)C(=O)NCC(=O)[N-]OC ZINC001334510882 808173944 /nfs/dbraw/zinc/17/39/44/808173944.db2.gz MZTDNSHNCIWENO-VIFPVBQESA-N -1 0 305.400 -0.230 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1Cc2ccccc2C[C@@H]1C ZINC001334510807 808174047 /nfs/dbraw/zinc/17/40/47/808174047.db2.gz MOUDHMHJTFGDQA-JTQLQIEISA-N -1 0 305.334 -0.246 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001334530363 808175757 /nfs/dbraw/zinc/17/57/57/808175757.db2.gz IBMRBLZWTOEBGH-ONGXEEELSA-N -1 0 310.358 -0.256 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001334606926 808183496 /nfs/dbraw/zinc/18/34/96/808183496.db2.gz WGXKLHQWGGSEQY-MNOVXSKESA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000947577486 808205247 /nfs/dbraw/zinc/20/52/47/808205247.db2.gz OBUKRZHYBDRJPL-APPZFPTMSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(NC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1)C(F)F ZINC000947577522 808205321 /nfs/dbraw/zinc/20/53/21/808205321.db2.gz PQXHKBLAVJZRJM-UHFFFAOYSA-N -1 0 317.252 -0.731 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000947659005 808212266 /nfs/dbraw/zinc/21/22/66/808212266.db2.gz DNMCVLMMCJHKQO-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)C(=O)NC1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000947683310 808216006 /nfs/dbraw/zinc/21/60/06/808216006.db2.gz VDRXSDNRQDNHEU-UHFFFAOYSA-N -1 0 322.365 -0.137 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCO[C@@](C)(C(F)F)C1 ZINC001335085017 808234152 /nfs/dbraw/zinc/23/41/52/808234152.db2.gz XLJPZKUENHCAFC-LLVKDONJSA-N -1 0 320.300 -0.399 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cnc[nH]c1=O ZINC001038387560 815187269 /nfs/dbraw/zinc/18/72/69/815187269.db2.gz SEZDHMWCLUPHOH-SSDOTTSWSA-N -1 0 305.298 -0.990 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2sccc2[C@H]1C ZINC001335145362 808243906 /nfs/dbraw/zinc/24/39/06/808243906.db2.gz UJHSTMZVRHMDLR-MRVPVSSYSA-N -1 0 311.363 -0.012 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1cc2c([nH]c1=O)CCC2)C(=O)[O-] ZINC001335156348 808245465 /nfs/dbraw/zinc/24/54/65/808245465.db2.gz MHFYINIGTCWQIA-MRVPVSSYSA-N -1 0 321.333 -0.271 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCc2cn(C)cn2)CC[C@H]1C(=O)[O-] ZINC001335215932 808255284 /nfs/dbraw/zinc/25/52/84/808255284.db2.gz HOMWKRJXKMNLAT-CMPLNLGQSA-N -1 0 322.365 -0.352 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C1CC1 ZINC001335226164 808259250 /nfs/dbraw/zinc/25/92/50/808259250.db2.gz YQWFQLUZMLENMH-RNWYCLNJSA-N -1 0 308.334 -0.683 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)Cn2ccnc2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000948089588 808263550 /nfs/dbraw/zinc/26/35/50/808263550.db2.gz CXVFBFCORQNMLM-MNOVXSKESA-N -1 0 319.369 -0.124 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NCCOCCCO)cc1 ZINC001335508029 808293708 /nfs/dbraw/zinc/29/37/08/808293708.db2.gz WDCZYXBHVCDHFF-UHFFFAOYSA-N -1 0 307.354 -0.037 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CCC2)C1 ZINC001335543083 808296131 /nfs/dbraw/zinc/29/61/31/808296131.db2.gz QQRDLKJWWKRVEP-LLVKDONJSA-N -1 0 307.272 -0.112 20 0 DBADRM Cc1ccnc2nc(C(=O)N3CCC[C@H](c4nnn[n-]4)C3)nn21 ZINC001335572449 808298358 /nfs/dbraw/zinc/29/83/58/808298358.db2.gz HZWHYBVCKUFRQE-VIFPVBQESA-N -1 0 313.325 -0.034 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC001335575795 808299439 /nfs/dbraw/zinc/29/94/39/808299439.db2.gz JLAUMNBQVZSQMM-NSHDSACASA-N -1 0 309.297 -0.277 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1nc(=O)o[n-]1 ZINC001335621029 808303549 /nfs/dbraw/zinc/30/35/49/808303549.db2.gz NODRMPRNOIWOAK-OCAPTIKFSA-N -1 0 308.294 -0.846 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C1CCC1 ZINC000948616553 808307835 /nfs/dbraw/zinc/30/78/35/808307835.db2.gz LZLKGSWYFWXRQP-QMMMGPOBSA-N -1 0 307.310 -0.586 20 0 DBADRM CC(=O)NCC(=O)N[C@H](C)CCCNC(=O)c1cnc[nH]c1=O ZINC001335822954 808323863 /nfs/dbraw/zinc/32/38/63/808323863.db2.gz WZNIAOVYSUCJOA-SECBINFHSA-N -1 0 323.353 -0.667 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2cnccn2)c1[O-] ZINC000948769367 808328138 /nfs/dbraw/zinc/32/81/38/808328138.db2.gz HKDLAJLJTNXMFC-SECBINFHSA-N -1 0 316.321 -0.142 20 0 DBADRM CCOC[C@@H]1CCCN(c2nnnn2CC(=O)[N-]OCC)C1 ZINC001335911103 808329973 /nfs/dbraw/zinc/32/99/73/808329973.db2.gz KIGBMPAKIWKSJG-LLVKDONJSA-N -1 0 312.374 -0.006 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)C2=COCCO2)c1[O-] ZINC000948830157 808337084 /nfs/dbraw/zinc/33/70/84/808337084.db2.gz ANJRCWCCPVDJAN-VIFPVBQESA-N -1 0 322.321 -0.357 20 0 DBADRM Cc1nc(CN2CC[C@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)co1 ZINC001038465082 815197095 /nfs/dbraw/zinc/19/70/95/815197095.db2.gz JNKZQVPRDKFBSN-VIFPVBQESA-N -1 0 320.309 -0.416 20 0 DBADRM O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948869258 808348606 /nfs/dbraw/zinc/34/86/06/808348606.db2.gz ALBPECYNUKRKPY-NXEZZACHSA-N -1 0 317.353 -0.319 20 0 DBADRM Cn1cc(CN2CC[C@@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)cn1 ZINC001038466047 815197767 /nfs/dbraw/zinc/19/77/67/815197767.db2.gz QGWKLHDQBPIQOK-SECBINFHSA-N -1 0 319.325 -0.979 20 0 DBADRM CO[C@@H]1CCC[C@@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948957331 808365671 /nfs/dbraw/zinc/36/56/71/808365671.db2.gz KABANKPQBADTAF-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM C[C@H]1C[C@@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC(=O)N1 ZINC000949029342 808377901 /nfs/dbraw/zinc/37/79/01/808377901.db2.gz FRSKGDMHHUYNLW-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2ccnn2C)c1[O-] ZINC000949051582 808383165 /nfs/dbraw/zinc/38/31/65/808383165.db2.gz UBVBMAXRHOMIRG-VIFPVBQESA-N -1 0 318.337 -0.198 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(F)(F)C[C@@H]1C ZINC001336538771 808386836 /nfs/dbraw/zinc/38/68/36/808386836.db2.gz WLSIZYQHGUTTAR-QMMMGPOBSA-N -1 0 307.297 -0.184 20 0 DBADRM CCc1c(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cnn1C ZINC000949076121 808390411 /nfs/dbraw/zinc/39/04/11/808390411.db2.gz FCIRUOGYENMKMI-UHFFFAOYSA-N -1 0 319.369 -0.236 20 0 DBADRM Cc1oncc1CN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000949111011 808395587 /nfs/dbraw/zinc/39/55/87/808395587.db2.gz CCVYYIRQIULOBS-UHFFFAOYSA-N -1 0 320.309 -0.463 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(Cc2ncccn2)CC1 ZINC000949111356 808395993 /nfs/dbraw/zinc/39/59/93/808395993.db2.gz QKHZEWXNLHEWME-UHFFFAOYSA-N -1 0 317.309 -0.969 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(Cc2ccccn2)CC1 ZINC000949111335 808396225 /nfs/dbraw/zinc/39/62/25/808396225.db2.gz PBHOXKLOHBBEGX-UHFFFAOYSA-N -1 0 316.321 -0.364 20 0 DBADRM COc1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1C ZINC001038506896 815202068 /nfs/dbraw/zinc/20/20/68/815202068.db2.gz NEGIKZKMUOGQSD-MRVPVSSYSA-N -1 0 321.341 -0.743 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(CNC(=O)C2CC2)CC1 ZINC000949223840 808423800 /nfs/dbraw/zinc/42/38/00/808423800.db2.gz ZUAAEMAPMVQPSB-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM C/C=C(\C)C(=O)N(C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001337108310 808437398 /nfs/dbraw/zinc/43/73/98/808437398.db2.gz LGEQEVPLODOHKZ-WVXIBAHESA-N -1 0 309.326 -0.174 20 0 DBADRM C/C=C(/C)C(=O)N(C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001337108307 808437483 /nfs/dbraw/zinc/43/74/83/808437483.db2.gz LGEQEVPLODOHKZ-GRKOMRHMSA-N -1 0 309.326 -0.174 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001337258029 808444588 /nfs/dbraw/zinc/44/45/88/808444588.db2.gz JPNREPASSYDTPM-GRYCIOLGSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCO[C@H](CCF)C1 ZINC001337274963 808445348 /nfs/dbraw/zinc/44/53/48/808445348.db2.gz KAGHEOQZQPYEKA-OPRDCNLKSA-N -1 0 302.302 -0.447 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC3(CCC3)CO2)C1 ZINC001337298690 808446564 /nfs/dbraw/zinc/44/65/64/808446564.db2.gz NPVONTMFGMMJNQ-QWRGUYRKSA-N -1 0 310.350 -0.005 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC000949400911 808454622 /nfs/dbraw/zinc/45/46/22/808454622.db2.gz QCUNLSCKGCFHLA-ZNSHCXBVSA-N -1 0 320.349 -0.353 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2cn(C)cn2)c1[O-] ZINC000949404833 808455912 /nfs/dbraw/zinc/45/59/12/808455912.db2.gz JRWWVJXXGFYOLY-VIFPVBQESA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2cnn(C)c2)c1[O-] ZINC000949426884 808458675 /nfs/dbraw/zinc/45/86/75/808458675.db2.gz SRFZMDZWGNWEJG-SNVBAGLBSA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2cnnn2C)c1[O-] ZINC000949424968 808458830 /nfs/dbraw/zinc/45/88/30/808458830.db2.gz GHRMYZSVAGVPNY-MRVPVSSYSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2n[nH]cc2F)c1[O-] ZINC000949429528 808459784 /nfs/dbraw/zinc/45/97/84/808459784.db2.gz CQKNSQQMYWDKOW-ZETCQYMHSA-N -1 0 322.300 -0.070 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2cccnn2)c1[O-] ZINC000949435691 808461162 /nfs/dbraw/zinc/46/11/62/808461162.db2.gz SNCAJTOEWLBJON-VIFPVBQESA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2csnn2)c1[O-] ZINC000949435656 808461323 /nfs/dbraw/zinc/46/13/23/808461323.db2.gz SARLDGFGEAHSAJ-SSDOTTSWSA-N -1 0 322.350 -0.080 20 0 DBADRM C[C@@H]1OCC[C@]1(C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949448507 808463434 /nfs/dbraw/zinc/46/34/34/808463434.db2.gz WLETZGOVDOMXCC-HZMBPMFUSA-N -1 0 309.370 -0.030 20 0 DBADRM CO[C@@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1CCC1 ZINC000949519884 808476811 /nfs/dbraw/zinc/47/68/11/808476811.db2.gz RDNPKHAGEDAVHL-GFCCVEGCSA-N -1 0 309.370 -0.030 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@H](OC)C(C)(C)C1 ZINC001337646015 808481876 /nfs/dbraw/zinc/48/18/76/808481876.db2.gz NDPXIMQVJPCKDG-JTQLQIEISA-N -1 0 312.374 -0.008 20 0 DBADRM CC(=O)N1CCC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000949585196 808490394 /nfs/dbraw/zinc/49/03/94/808490394.db2.gz UJZMWJYKCJGJRR-JTQLQIEISA-N -1 0 303.322 -0.237 20 0 DBADRM COc1nn(C)cc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949623868 808499226 /nfs/dbraw/zinc/49/92/26/808499226.db2.gz QIFCOAXQRJWKET-UHFFFAOYSA-N -1 0 321.341 -0.790 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCN(C(=O)CC2CC2)C1 ZINC000949670172 808509250 /nfs/dbraw/zinc/50/92/50/808509250.db2.gz WOWLHJINYBERPP-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001338127088 808519413 /nfs/dbraw/zinc/51/94/13/808519413.db2.gz BONLQOJYZZBUEI-UFVYQPJESA-N -1 0 321.337 -0.032 20 0 DBADRM CCO[C@H]1C[C@@H]1C(=O)N(CC)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949716460 808522925 /nfs/dbraw/zinc/52/29/25/808522925.db2.gz UYTGLFJOSZBQEM-QWRGUYRKSA-N -1 0 309.370 -0.032 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccn(CCOC)n1 ZINC001338277484 808530013 /nfs/dbraw/zinc/53/00/13/808530013.db2.gz UZKCBAJPBULHAO-UHFFFAOYSA-N -1 0 300.315 -0.448 20 0 DBADRM COCCCS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC001338386856 808537806 /nfs/dbraw/zinc/53/78/06/808537806.db2.gz BWNYGMPQNISZDR-IUCAKERBSA-N -1 0 308.356 -0.997 20 0 DBADRM CCN(C(=O)[C@@H]1CCCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949780617 808540158 /nfs/dbraw/zinc/54/01/58/808540158.db2.gz QEMWWPQSGOTZOH-SNVBAGLBSA-N -1 0 309.370 -0.030 20 0 DBADRM CCN(C(=O)c1cccc(=O)[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949843057 808553728 /nfs/dbraw/zinc/55/37/28/808553728.db2.gz UCKLJRBEBCOREU-UHFFFAOYSA-N -1 0 318.337 -0.043 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038616494 815217420 /nfs/dbraw/zinc/21/74/20/815217420.db2.gz NVBUFQJWYMDNSV-QMMMGPOBSA-N -1 0 319.325 -0.681 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN([C@@H]2CCCNC2=O)C1 ZINC000949901272 808561447 /nfs/dbraw/zinc/56/14/47/808561447.db2.gz UHSOBYJGQKVSLQ-LLVKDONJSA-N -1 0 321.381 -0.151 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)[N-]O[C@H]2CCCCO2)n1 ZINC001338723399 808564751 /nfs/dbraw/zinc/56/47/51/808564751.db2.gz HBORQCSGDWTVEO-JTQLQIEISA-N -1 0 308.294 -0.307 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC001338724981 808565120 /nfs/dbraw/zinc/56/51/20/808565120.db2.gz YTVKFUUXRPCKLI-UHFFFAOYSA-N -1 0 304.262 -0.187 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC001338724752 808565525 /nfs/dbraw/zinc/56/55/25/808565525.db2.gz UDGPCJWXYJSEMP-UHFFFAOYSA-N -1 0 302.290 -0.092 20 0 DBADRM CCN(C(=O)c1cncnc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949944000 808567554 /nfs/dbraw/zinc/56/75/54/808567554.db2.gz DZHABNYAZDITPD-UHFFFAOYSA-N -1 0 303.326 -0.353 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001338842929 808569040 /nfs/dbraw/zinc/56/90/40/808569040.db2.gz UOTOSWCDKYXAAZ-SECBINFHSA-N -1 0 319.325 -0.667 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001339169036 808581852 /nfs/dbraw/zinc/58/18/52/808581852.db2.gz NOYNHWRWWPQOGN-ABAIWWIYSA-N -1 0 314.382 -0.361 20 0 DBADRM CN1Cc2ccc(NC(=O)C(=O)NCc3nnn[n-]3)cc2C1 ZINC001339326818 808586786 /nfs/dbraw/zinc/58/67/86/808586786.db2.gz BYZKRAYTEQYAKW-UHFFFAOYSA-N -1 0 301.310 -0.600 20 0 DBADRM CC(C)Cc1cc(NC(=O)C(=O)NCc2nnn[n-]2)n(C)n1 ZINC001339326829 808587037 /nfs/dbraw/zinc/58/70/37/808587037.db2.gz CNBCYSJMFGOAEE-UHFFFAOYSA-N -1 0 306.330 -0.613 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2ccn(C)n2)c1[O-] ZINC000950079945 808588490 /nfs/dbraw/zinc/58/84/90/808588490.db2.gz BUUKEGDVHBCMNH-VIFPVBQESA-N -1 0 318.337 -0.198 20 0 DBADRM CO[C@H](CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)CC(C)C ZINC001339948722 808611600 /nfs/dbraw/zinc/61/16/00/808611600.db2.gz YGYABOWXWMOBQA-NSHDSACASA-N -1 0 315.370 -0.014 20 0 DBADRM CC[C@H]1COCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001339948700 808611667 /nfs/dbraw/zinc/61/16/67/808611667.db2.gz XVOQXVNRBRJSER-NSHDSACASA-N -1 0 304.343 -0.075 20 0 DBADRM CCN1C(=S)N=NC1CNC(=O)c1c[n-]n2c1nccc2=O ZINC001340106693 808621200 /nfs/dbraw/zinc/62/12/00/808621200.db2.gz WNXUYWJMSFBUGV-UHFFFAOYSA-N -1 0 319.350 -0.147 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N(C)CCN1CCOCC1)C(=O)[O-] ZINC001340163242 808625909 /nfs/dbraw/zinc/62/59/09/808625909.db2.gz NSCDNNFYNSNGLV-NSHDSACASA-N -1 0 315.370 -0.996 20 0 DBADRM C/C=C(/C)C(=O)N1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000950344626 808634264 /nfs/dbraw/zinc/63/42/64/808634264.db2.gz SXQBWCLSZTYGHS-BNFOFFDWSA-N -1 0 323.353 -0.237 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)[C@]23C[C@H]2COC3)c1[O-] ZINC000950343770 808634544 /nfs/dbraw/zinc/63/45/44/808634544.db2.gz ZTOVDSCNKYHGFI-YHAQOWFVSA-N -1 0 320.349 -0.209 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCOCC2(CC2)C1 ZINC001340568455 808643259 /nfs/dbraw/zinc/64/32/59/808643259.db2.gz BTNQREGMRRZOJE-UHFFFAOYSA-N -1 0 316.354 -0.074 20 0 DBADRM CCN(C(=O)[C@@H]1CC(=O)N(C)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950457331 808648994 /nfs/dbraw/zinc/64/89/94/808648994.db2.gz CAVSYSKHNJBMIF-SECBINFHSA-N -1 0 322.369 -0.979 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001341265139 808677414 /nfs/dbraw/zinc/67/74/14/808677414.db2.gz HQXIEGIIASJCJN-WDEREUQCSA-N -1 0 309.297 -0.408 20 0 DBADRM C[C@@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC000950624142 808682849 /nfs/dbraw/zinc/68/28/49/808682849.db2.gz ZPFCGQWUIDIVOM-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000950623770 808682881 /nfs/dbraw/zinc/68/28/81/808682881.db2.gz VQDHLECYVFBFOB-MXWKQRLJSA-N -1 0 307.354 -0.278 20 0 DBADRM C[C@H]1CCC[C@@H](CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)O1 ZINC001341435101 808684922 /nfs/dbraw/zinc/68/49/22/808684922.db2.gz ZCMNUEYEGZCABN-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM CCN(C(=O)[C@H]1CCC(=O)NC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950705433 808699684 /nfs/dbraw/zinc/69/96/84/808699684.db2.gz ZVRXVDCMOYWALS-VIFPVBQESA-N -1 0 322.369 -0.931 20 0 DBADRM CCN(C(=O)c1ccnnc1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950769951 808710779 /nfs/dbraw/zinc/71/07/79/808710779.db2.gz HSMDSVSAYUVDAJ-UHFFFAOYSA-N -1 0 317.353 -0.045 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)NCC(=O)[N-]OC)[C@@H](CC)CO1 ZINC001342028989 808712603 /nfs/dbraw/zinc/71/26/03/808712603.db2.gz AVISPNDXBRKGOU-UWVGGRQHSA-N -1 0 301.343 -0.804 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1c(F)cc(C)cc1F ZINC001342029001 808712776 /nfs/dbraw/zinc/71/27/76/808712776.db2.gz BBNIXZGKVKCUQC-UHFFFAOYSA-N -1 0 315.276 -0.317 20 0 DBADRM COCc1nc(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)no1 ZINC001342447935 808730702 /nfs/dbraw/zinc/73/07/02/808730702.db2.gz GJXHDPLVXVZHQH-UHFFFAOYSA-N -1 0 320.265 -0.656 20 0 DBADRM COc1ncccc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038669505 815231712 /nfs/dbraw/zinc/23/17/12/815231712.db2.gz OYSBEJQKKJUFMX-VIFPVBQESA-N -1 0 318.337 -0.082 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001342655696 808738785 /nfs/dbraw/zinc/73/87/85/808738785.db2.gz AZVBTRWLKIFVIJ-WDEREUQCSA-N -1 0 304.343 -0.762 20 0 DBADRM CC1(C(=O)N2CCC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000951055271 808758778 /nfs/dbraw/zinc/75/87/78/808758778.db2.gz LQNDQDAKZPVVIP-MRVPVSSYSA-N -1 0 321.337 -0.196 20 0 DBADRM Cn1c(=O)cccc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038688888 815233863 /nfs/dbraw/zinc/23/38/63/815233863.db2.gz XEFJJVMNJKPPFI-SECBINFHSA-N -1 0 318.337 -0.787 20 0 DBADRM CCN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(CCCO)C1 ZINC000951121776 808769272 /nfs/dbraw/zinc/76/92/72/808769272.db2.gz LEQNTWPPPOKURS-UHFFFAOYSA-N -1 0 310.354 -0.985 20 0 DBADRM CCN(C(=O)[C@H]1CCN(C)C1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000951190374 808778579 /nfs/dbraw/zinc/77/85/79/808778579.db2.gz KVEZNTKFPDYMRU-JTQLQIEISA-N -1 0 322.369 -0.979 20 0 DBADRM O=C(/C=C/C1CC1)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297558 808794628 /nfs/dbraw/zinc/79/46/28/808794628.db2.gz DATGUPWVBYIXOV-NWALNABHSA-N -1 0 319.321 -0.420 20 0 DBADRM CC1(C)C[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951298078 808794932 /nfs/dbraw/zinc/79/49/32/808794932.db2.gz PWWYBULHEROFFN-YUMQZZPRSA-N -1 0 321.337 -0.340 20 0 DBADRM CC1(CC(=O)N2CC[C@@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000951300865 808795566 /nfs/dbraw/zinc/79/55/66/808795566.db2.gz ZQTOQIHWYPAXHG-MRVPVSSYSA-N -1 0 321.337 -0.196 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)c3cn[nH]n3)C2)c1[O-] ZINC000951309625 808797102 /nfs/dbraw/zinc/79/71/02/808797102.db2.gz IGHYAQCOKSHNRZ-QMMMGPOBSA-N -1 0 319.325 -0.424 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC000951442444 808816976 /nfs/dbraw/zinc/81/69/76/808816976.db2.gz ULGZCYNOTSKYIS-MRVPVSSYSA-N -1 0 319.325 -0.505 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951450425 808819492 /nfs/dbraw/zinc/81/94/92/808819492.db2.gz AFLYRLAHGPLNSJ-GUBZILKMSA-N -1 0 320.349 -0.527 20 0 DBADRM O=C(N[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000951461142 808824781 /nfs/dbraw/zinc/82/47/81/808824781.db2.gz KKPZDIIQKNMHME-MRVPVSSYSA-N -1 0 307.310 -0.586 20 0 DBADRM O=C(N[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCC1 ZINC000951462331 808824855 /nfs/dbraw/zinc/82/48/55/808824855.db2.gz ZSFYWSDJTNXHAO-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H](NC(=O)C2CCC2)C1 ZINC000951512985 808835172 /nfs/dbraw/zinc/83/51/72/808835172.db2.gz NSUNGYYRPSNCSJ-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM COCCN1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC000951550982 808842652 /nfs/dbraw/zinc/84/26/52/808842652.db2.gz WAQSLQNFGFQVRI-UHFFFAOYSA-N -1 0 305.338 -0.573 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2ncccn2)c1[O-] ZINC000951782343 808900528 /nfs/dbraw/zinc/90/05/28/808900528.db2.gz GHAQHFCWVRGCQK-VIFPVBQESA-N -1 0 316.321 -0.142 20 0 DBADRM COCc1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)no1 ZINC001038778864 815245809 /nfs/dbraw/zinc/24/58/09/815245809.db2.gz HRBABHRUAZOMSJ-MRVPVSSYSA-N -1 0 322.325 -0.351 20 0 DBADRM C[C@]1(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCCOC1 ZINC000952449897 808991234 /nfs/dbraw/zinc/99/12/34/808991234.db2.gz LQZFSGZEFFOCJK-AWEZNQCLSA-N -1 0 309.370 -0.029 20 0 DBADRM CC(=O)N1CC[C@@]2(CCN(C(=O)c3cnc([O-])n(C)c3=O)C2)C1 ZINC000953027414 809014920 /nfs/dbraw/zinc/01/49/20/809014920.db2.gz CECYJENPKLCEGL-OAHLLOKOSA-N -1 0 320.349 -0.430 20 0 DBADRM CN(C(=O)C(C)(F)F)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000953521097 809053123 /nfs/dbraw/zinc/05/31/23/809053123.db2.gz NYRRQPXXWMBHDQ-UHFFFAOYSA-N -1 0 317.252 -0.779 20 0 DBADRM CN(C(=O)C(C)(C)F)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000953512542 809053230 /nfs/dbraw/zinc/05/32/30/809053230.db2.gz DJVGYLRGRQDPFT-UHFFFAOYSA-N -1 0 313.289 -0.686 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)[C@H]3CCCO3)C2)c1[O-] ZINC000953666655 809066667 /nfs/dbraw/zinc/06/66/67/809066667.db2.gz AIZLHJOWUIDAEI-SNVBAGLBSA-N -1 0 308.338 -0.114 20 0 DBADRM CCCn1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001038855474 815259331 /nfs/dbraw/zinc/25/93/31/815259331.db2.gz DMCJEOLQNSYOCB-VIFPVBQESA-N -1 0 320.357 -0.484 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3cc[nH]n3)C2)c1[O-] ZINC000953771306 809084325 /nfs/dbraw/zinc/08/43/25/809084325.db2.gz IBYCRZWWKZLXOS-UHFFFAOYSA-N -1 0 304.310 -0.257 20 0 DBADRM COc1ncc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001038879844 815263265 /nfs/dbraw/zinc/26/32/65/815263265.db2.gz ZSPGHBUCRSQABZ-SECBINFHSA-N -1 0 319.325 -0.687 20 0 DBADRM CN(C(=O)CC1CCC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000953962720 809141352 /nfs/dbraw/zinc/14/13/52/809141352.db2.gz VNVRZIWJMRQTAL-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)CC(C)(C)O)C2)c1[O-] ZINC000954069818 809154703 /nfs/dbraw/zinc/15/47/03/809154703.db2.gz GFOWYBRINRDBFT-UHFFFAOYSA-N -1 0 310.354 -0.132 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CCN(C(=O)C2CC2)CC1 ZINC000954125027 809167011 /nfs/dbraw/zinc/16/70/11/809167011.db2.gz YDKRITOUIXGESB-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3cn(C)nn3)C2)c1[O-] ZINC000954211507 809189534 /nfs/dbraw/zinc/18/95/34/809189534.db2.gz RUXPXTREZANTDZ-UHFFFAOYSA-N -1 0 319.325 -0.851 20 0 DBADRM CN(C(=O)c1cc[nH]c1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954481735 809240279 /nfs/dbraw/zinc/24/02/79/809240279.db2.gz IBKBWZVNQIIMAI-UHFFFAOYSA-N -1 0 320.309 -1.000 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3cn[nH]n3)C2)c1[O-] ZINC000954722238 809277627 /nfs/dbraw/zinc/27/76/27/809277627.db2.gz KGUCSUYDJNAOCN-UHFFFAOYSA-N -1 0 305.298 -0.862 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3cnn(C)n3)C2)c1[O-] ZINC000954778565 809289903 /nfs/dbraw/zinc/28/99/03/809289903.db2.gz GDLYWTHJVVAQOD-UHFFFAOYSA-N -1 0 319.325 -0.851 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C2(C)CC2)C1 ZINC000954876432 809304537 /nfs/dbraw/zinc/30/45/37/809304537.db2.gz CAVBKGJANUMJLR-UHFFFAOYSA-N -1 0 307.310 -0.634 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)c2cc[nH]c2)C1 ZINC000954876703 809304795 /nfs/dbraw/zinc/30/47/95/809304795.db2.gz FKZQZYFBGAEQJY-UHFFFAOYSA-N -1 0 318.293 -0.793 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954880711 809305214 /nfs/dbraw/zinc/30/52/14/809305214.db2.gz UXYGSMPYJDGZMN-VXNVDRBHSA-N -1 0 321.337 -0.388 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C2CCC2)C1 ZINC000954877561 809305307 /nfs/dbraw/zinc/30/53/07/809305307.db2.gz ZDUXMTYRWDJSKR-UHFFFAOYSA-N -1 0 307.310 -0.634 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954934209 809311362 /nfs/dbraw/zinc/31/13/62/809311362.db2.gz WRRHPNKKZWLYMB-VXNVDRBHSA-N -1 0 309.326 -0.986 20 0 DBADRM CC1CC(C(=O)N2CC(N(C)C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000954933419 809311370 /nfs/dbraw/zinc/31/13/70/809311370.db2.gz BKCCEUJLEBYAEE-UHFFFAOYSA-N -1 0 323.353 -0.595 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)[C@@H]2CC2(C)C)C1 ZINC000954933979 809311530 /nfs/dbraw/zinc/31/15/30/809311530.db2.gz ORBNKNIMCUVYDS-VIFPVBQESA-N -1 0 323.353 -0.595 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C(C)(F)F)C1 ZINC000954934282 809311714 /nfs/dbraw/zinc/31/17/14/809311714.db2.gz YVKGIRPCIOWPEK-UHFFFAOYSA-N -1 0 319.268 -0.986 20 0 DBADRM CC(C)=CC(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954934299 809311839 /nfs/dbraw/zinc/31/18/39/809311839.db2.gz ZBFLUSPYSXBYSE-UHFFFAOYSA-N -1 0 309.326 -0.675 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)CC2(C)CC2)C1 ZINC000954938130 809312732 /nfs/dbraw/zinc/31/27/32/809312732.db2.gz GJYVXLZZEGJZQA-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)Cc3cnoc3)C2)c1[O-] ZINC000955065801 809346837 /nfs/dbraw/zinc/34/68/37/809346837.db2.gz ZEUYXQZDRRXSGF-UHFFFAOYSA-N -1 0 319.321 -0.063 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000955446223 809418892 /nfs/dbraw/zinc/41/88/92/809418892.db2.gz BHPFCDXWODNWLC-RKDXNWHRSA-N -1 0 311.342 -0.405 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C1CC1 ZINC000955466746 809420665 /nfs/dbraw/zinc/42/06/65/809420665.db2.gz SJGJBJZDGSEQQS-CBAPKCEASA-N -1 0 321.337 -0.198 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C)c1[O-] ZINC000955629429 809430968 /nfs/dbraw/zinc/43/09/68/809430968.db2.gz QFDQUSZQOWUPPF-HTRCEHHLSA-N -1 0 309.326 -0.982 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C2CC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000955752133 809440782 /nfs/dbraw/zinc/44/07/82/809440782.db2.gz AZANWNJEHHXIEY-CBAPKCEASA-N -1 0 321.337 -0.198 20 0 DBADRM O=C(NC[C@@H]1CCCN1C(=O)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC000955843666 809455802 /nfs/dbraw/zinc/45/58/02/809455802.db2.gz QPWRVUBUJSNITG-QMMMGPOBSA-N -1 0 307.310 -0.586 20 0 DBADRM CC(C)C(=O)N1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000955894456 809461313 /nfs/dbraw/zinc/46/13/13/809461313.db2.gz XKBMZSABDCYZFQ-QMMMGPOBSA-N -1 0 309.326 -0.340 20 0 DBADRM CCn1nc(C)c(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001039079249 815290612 /nfs/dbraw/zinc/29/06/12/815290612.db2.gz FKEKZLFHZLTENF-VIFPVBQESA-N -1 0 320.357 -0.566 20 0 DBADRM CC(=O)N1CC[C@H](N2CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)C1 ZINC000956593590 809526151 /nfs/dbraw/zinc/52/61/51/809526151.db2.gz XNFCKEOKFBWSLX-LBPRGKRZSA-N -1 0 321.381 -0.198 20 0 DBADRM COc1cccc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000957029015 809578814 /nfs/dbraw/zinc/57/88/14/809578814.db2.gz QOEJNVNUJIMCOA-UHFFFAOYSA-N -1 0 318.337 -0.128 20 0 DBADRM CCN(C(=O)[C@H]1C[C@@]12CCOC2)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000957111066 809587563 /nfs/dbraw/zinc/58/75/63/809587563.db2.gz AWLHSCPGXUUXJL-IAQYHMDHSA-N -1 0 321.381 -0.030 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@](O)(C3CC3)C2)C1 ZINC000957134284 809590835 /nfs/dbraw/zinc/59/08/35/809590835.db2.gz NYLIIGGMXSXIRK-LSDHHAIUSA-N -1 0 310.350 -0.317 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(C3CC3)C2)C[C@H]1C(=O)[O-] ZINC000957134296 809590918 /nfs/dbraw/zinc/59/09/18/809590918.db2.gz WWFWUDAUGBISLA-XDMRBOTDSA-N -1 0 310.350 -0.461 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957236406 809608030 /nfs/dbraw/zinc/60/80/30/809608030.db2.gz ZNKUKFYDJZRVQF-PXYYCUNGSA-N -1 0 321.337 -0.030 20 0 DBADRM COCc1nocc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957298485 809617419 /nfs/dbraw/zinc/61/74/19/809617419.db2.gz UAMGQXORCFXRJU-UHFFFAOYSA-N -1 0 322.325 -0.397 20 0 DBADRM CCN(C(=O)c1ccnc(C)n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000957402087 809638243 /nfs/dbraw/zinc/63/82/43/809638243.db2.gz LYDUIEHOYGNLIJ-UHFFFAOYSA-N -1 0 317.353 -0.045 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(Cc2ccns2)CC1 ZINC000957474598 809647691 /nfs/dbraw/zinc/64/76/91/809647691.db2.gz VLHRZOVATIOGRN-UHFFFAOYSA-N -1 0 324.366 -0.510 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(Cc2cncs2)CC1 ZINC000957474126 809647864 /nfs/dbraw/zinc/64/78/64/809647864.db2.gz MSHWPTWBKCYRDQ-UHFFFAOYSA-N -1 0 324.366 -0.510 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(C/C=C\Cl)CC1 ZINC000957473750 809648113 /nfs/dbraw/zinc/64/81/13/809648113.db2.gz FOLXJEWUUYHLOS-UPHRSURJSA-N -1 0 301.734 -0.414 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957500865 809650933 /nfs/dbraw/zinc/65/09/33/809650933.db2.gz RJRPVIQBCDUTEF-SNVBAGLBSA-N -1 0 322.369 -0.835 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957629082 809661078 /nfs/dbraw/zinc/66/10/78/809661078.db2.gz QDWJHNOVJALBGF-UHFFFAOYSA-N -1 0 319.369 -0.263 20 0 DBADRM O=C(C[C@@H]1CCCOC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957685814 809665389 /nfs/dbraw/zinc/66/53/89/809665389.db2.gz TWZJHYFVSWNCIX-NSHDSACASA-N -1 0 309.370 -0.029 20 0 DBADRM O=C(CCN1CCCC1=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957691444 809666165 /nfs/dbraw/zinc/66/61/65/809666165.db2.gz ULFQPAPJVGDBNQ-UHFFFAOYSA-N -1 0 322.369 -0.833 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccccn1 ZINC000957803975 809678320 /nfs/dbraw/zinc/67/83/20/809678320.db2.gz OJWBZLNGFUGRFE-MWLCHTKSSA-N -1 0 318.337 -0.872 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cccnc1 ZINC000957811779 809680088 /nfs/dbraw/zinc/68/00/88/809680088.db2.gz KPSFFMYQOLQZSR-WDEREUQCSA-N -1 0 318.337 -0.872 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccoc1 ZINC000957878364 809698819 /nfs/dbraw/zinc/69/88/19/809698819.db2.gz LBMLIKGHMPWBKQ-ZJUUUORDSA-N -1 0 307.310 -0.674 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC(N)=O)c1[O-] ZINC001039547110 815312944 /nfs/dbraw/zinc/31/29/44/815312944.db2.gz QRHWDTSHVYZOJA-AOOOYVTPSA-N -1 0 307.354 -0.412 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cncs1 ZINC000957911510 809715671 /nfs/dbraw/zinc/71/56/71/809715671.db2.gz QVZUEPPOMHULQQ-SFYZADRCSA-N -1 0 324.366 -0.811 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3cnon3)C[C@@H]2O)c1[O-] ZINC000957985567 809735510 /nfs/dbraw/zinc/73/55/10/809735510.db2.gz IPMQQCDQEGTLRU-SCZZXKLOSA-N -1 0 322.325 -0.971 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ccncc1 ZINC000958078432 809760940 /nfs/dbraw/zinc/76/09/40/809760940.db2.gz AXZDURHSFZYODO-IAZYJMLFSA-N -1 0 300.322 -0.235 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccns1 ZINC000958116503 809771800 /nfs/dbraw/zinc/77/18/00/809771800.db2.gz DVHZJPFNPPVNAO-SFYZADRCSA-N -1 0 324.366 -0.811 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)no1 ZINC000958173192 809794763 /nfs/dbraw/zinc/79/47/63/809794763.db2.gz ZCIKSAKEMDKFDO-VROVMSAKSA-N -1 0 304.310 -0.333 20 0 DBADRM Cn1cccc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958259036 809832438 /nfs/dbraw/zinc/83/24/38/809832438.db2.gz DUOUTBNMODANLG-GDGBQDQQSA-N -1 0 302.338 -0.291 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000958339820 809866265 /nfs/dbraw/zinc/86/62/65/809866265.db2.gz NWNVNQQJTGCXFV-KNZXXDILSA-N -1 0 321.381 -0.535 20 0 DBADRM Cc1nocc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000958367015 809880496 /nfs/dbraw/zinc/88/04/96/809880496.db2.gz XSQIKQDEOQNWIH-SCZZXKLOSA-N -1 0 322.325 -0.971 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ccncc1F ZINC000958460329 809917991 /nfs/dbraw/zinc/91/79/91/809917991.db2.gz GDKLWMPDULPRQA-GDGBQDQQSA-N -1 0 318.312 -0.095 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1nccs1 ZINC000958519947 809949639 /nfs/dbraw/zinc/94/96/39/809949639.db2.gz QVVXVHMNQXTVIY-HTQZYQBOSA-N -1 0 324.366 -0.811 20 0 DBADRM CCn1nccc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958665199 809999327 /nfs/dbraw/zinc/99/93/27/809999327.db2.gz YUIDPJVLFLNHEM-GDGBQDQQSA-N -1 0 317.353 -0.413 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CN(C(=O)C3CCC3)C[C@@H]2O)c1[O-] ZINC000958824928 810040779 /nfs/dbraw/zinc/04/07/79/810040779.db2.gz NHGVALCTODCAEH-QWRGUYRKSA-N -1 0 322.365 -0.132 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CN(C(=O)C3CC3)C[C@@H]2O)c1[O-] ZINC000958825119 810040864 /nfs/dbraw/zinc/04/08/64/810040864.db2.gz UVOMVODQKQJSFU-UWVGGRQHSA-N -1 0 308.338 -0.523 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCN(C(=O)C2CC2)C1 ZINC000959001755 810076005 /nfs/dbraw/zinc/07/60/05/810076005.db2.gz USGBLQRDMDLLOL-APPZFPTMSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H]2CCN(C(=O)CC(N)=O)C2)c1[O-] ZINC000959095649 810079923 /nfs/dbraw/zinc/07/99/23/810079923.db2.gz PHXDJVGPDSMSCY-VXNVDRBHSA-N -1 0 323.353 -0.734 20 0 DBADRM CC(=O)N1C[C@H](C)[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000959304017 810094359 /nfs/dbraw/zinc/09/43/59/810094359.db2.gz DVOZLHAMEFIGTG-WCBMZHEXSA-N -1 0 308.338 -0.670 20 0 DBADRM COCC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000959321267 810095297 /nfs/dbraw/zinc/09/52/97/810095297.db2.gz JRUVASHZWWPWBO-WPRPVWTQSA-N -1 0 310.354 -0.106 20 0 DBADRM CCCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000959337509 810096573 /nfs/dbraw/zinc/09/65/73/810096573.db2.gz JYYAZRAAKPAHAM-DTWKUNHWSA-N -1 0 323.353 -0.093 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@@H]1C ZINC000959469059 810103926 /nfs/dbraw/zinc/10/39/26/810103926.db2.gz AWLALBNNIQDUIV-GXSJLCMTSA-N -1 0 317.349 -0.133 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC000959516982 810106795 /nfs/dbraw/zinc/10/67/95/810106795.db2.gz WTCIOQUCIGHFCJ-WPRPVWTQSA-N -1 0 323.353 -0.554 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1CNC(=O)C1CC1 ZINC000959531330 810108210 /nfs/dbraw/zinc/10/82/10/810108210.db2.gz OCYFGURFUQCVCI-SCZZXKLOSA-N -1 0 323.353 -0.690 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC000959538747 810108786 /nfs/dbraw/zinc/10/87/86/810108786.db2.gz RNCSJPBWLDURIM-WPRPVWTQSA-N -1 0 308.338 -0.670 20 0 DBADRM COCC(=O)N1C[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2C1 ZINC000959787193 810123276 /nfs/dbraw/zinc/12/32/76/810123276.db2.gz UBOJLNNZDLIPDB-AOOOYVTPSA-N -1 0 308.338 -0.399 20 0 DBADRM CCCC(=O)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC000959792319 810124245 /nfs/dbraw/zinc/12/42/45/810124245.db2.gz LDBKYBFFZWGNMS-AOOOYVTPSA-N -1 0 323.353 -0.594 20 0 DBADRM COCC(=O)N1C[C@H]2OCCN(C(=O)c3n[nH]c(C)c3[O-])[C@H]2C1 ZINC000960244840 810163256 /nfs/dbraw/zinc/16/32/56/810163256.db2.gz CIIIHAQGAYJOBN-VHSXEESVSA-N -1 0 324.337 -0.878 20 0 DBADRM CSCC(=O)N1CCC[C@@H]1CN(C)Cc1nn(C)c(=O)[n-]1 ZINC000960398604 810172719 /nfs/dbraw/zinc/17/27/19/810172719.db2.gz GNDSDKZFKGQECG-SNVBAGLBSA-N -1 0 313.427 -0.106 20 0 DBADRM Cc1ncn(C)c1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000960408325 810173660 /nfs/dbraw/zinc/17/36/60/810173660.db2.gz BHQCAKLVGYJJBL-JZYVYDRUSA-N -1 0 317.353 -0.588 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)Cn1cccn1 ZINC000960414628 810174764 /nfs/dbraw/zinc/17/47/64/810174764.db2.gz FNXPGBDIXMPITK-LLVKDONJSA-N -1 0 319.369 -0.170 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC000960485702 810179272 /nfs/dbraw/zinc/17/92/72/810179272.db2.gz DWEQZRMBHSFVCB-VHSXEESVSA-N -1 0 322.369 -0.788 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)c1cn(C)nn1 ZINC000960604469 810186800 /nfs/dbraw/zinc/18/68/00/810186800.db2.gz GGPXHAWFAKDHHV-SECBINFHSA-N -1 0 320.357 -0.625 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)[C@@H]1CCNC1=O ZINC000960802087 810201755 /nfs/dbraw/zinc/20/17/55/810201755.db2.gz NSYUNQSEXCFNSR-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000960815869 810203753 /nfs/dbraw/zinc/20/37/53/810203753.db2.gz NHTWITCLMVSMKI-DCQANWLSSA-N -1 0 321.381 -0.175 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)c1nc[nH]n1 ZINC000960922091 810212180 /nfs/dbraw/zinc/21/21/80/810212180.db2.gz CJQFEWZXXQOMPE-QMMMGPOBSA-N -1 0 306.330 -0.635 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)c1cnn(C)n1 ZINC000960922068 810212410 /nfs/dbraw/zinc/21/24/10/810212410.db2.gz LUXWAGIMKGALLR-SECBINFHSA-N -1 0 320.357 -0.625 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)c1cnon1 ZINC000960944009 810214048 /nfs/dbraw/zinc/21/40/48/810214048.db2.gz PNWLEYOIIRGNKF-MRVPVSSYSA-N -1 0 307.314 -0.370 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)c1ccn(C)n1 ZINC000961009558 810217404 /nfs/dbraw/zinc/21/74/04/810217404.db2.gz JFGFFXBJEDRDAI-SNVBAGLBSA-N -1 0 319.369 -0.020 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@](O)(CNC(=O)C3(C)CC3)C2)c1[O-] ZINC001040073342 815352965 /nfs/dbraw/zinc/35/29/65/815352965.db2.gz JULUOXBUPDTLAG-HNNXBMFYSA-N -1 0 322.365 -0.083 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000961432030 810279920 /nfs/dbraw/zinc/27/99/20/810279920.db2.gz UOYVMEKCVUODTJ-JZYVYDRUSA-N -1 0 303.326 -0.598 20 0 DBADRM C[C@H]1[C@@H](Nc2ncccn2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001040157951 815363284 /nfs/dbraw/zinc/36/32/84/815363284.db2.gz WQDFIJAMSCAAQP-IUCAKERBSA-N -1 0 319.325 -0.419 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)CC3CCC3)[C@@H](O)C2)c1[O-] ZINC000962059488 810435206 /nfs/dbraw/zinc/43/52/06/810435206.db2.gz UPDHHCFBNBOEEZ-MNOVXSKESA-N -1 0 322.365 -0.085 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ccncn1 ZINC000962078681 810440010 /nfs/dbraw/zinc/44/00/10/810440010.db2.gz ANFXDJFOOPFBMR-VROVMSAKSA-N -1 0 301.310 -0.840 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C(C)(F)F)C[C@@H]2O)c1[O-] ZINC000962301650 810502213 /nfs/dbraw/zinc/50/22/13/810502213.db2.gz AHIAYCXVKAIHQQ-RQJHMYQMSA-N -1 0 318.280 -0.620 20 0 DBADRM CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000963412809 810625847 /nfs/dbraw/zinc/62/58/47/810625847.db2.gz HCUHIAOELKIYIZ-BDAKNGLRSA-N -1 0 307.310 -0.492 20 0 DBADRM CC(=O)N1CC[C@@](O)(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001040348502 815387567 /nfs/dbraw/zinc/38/75/67/815387567.db2.gz WEVGOKWPDRZESB-CQSZACIVSA-N -1 0 320.305 -0.359 20 0 DBADRM COCC(=O)N1CCOC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC000964149366 810713158 /nfs/dbraw/zinc/71/31/58/810713158.db2.gz GTZFORMXJMDVIP-VIFPVBQESA-N -1 0 312.326 -0.973 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCCC[C@@H]1CNC(=O)C1CC1 ZINC000964541531 810783117 /nfs/dbraw/zinc/78/31/17/810783117.db2.gz XHKGAPHCAWAVLX-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000964651091 810792723 /nfs/dbraw/zinc/79/27/23/810792723.db2.gz OUTKMMZGTSOSCW-SNVBAGLBSA-N -1 0 308.338 -0.383 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cnccn1 ZINC000964778407 810800259 /nfs/dbraw/zinc/80/02/59/810800259.db2.gz YQKMSARIBMWHMM-KOLCDFICSA-N -1 0 317.353 -0.059 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)CC2)c1[O-] ZINC000964847747 810804402 /nfs/dbraw/zinc/80/44/02/810804402.db2.gz SFLBYAYRYSXYHM-MRVPVSSYSA-N -1 0 309.326 -0.980 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ccn[nH]1 ZINC000965328064 810863955 /nfs/dbraw/zinc/86/39/55/810863955.db2.gz UORDKCQIDZQNAK-WPRPVWTQSA-N -1 0 305.342 -0.126 20 0 DBADRM C[C@@H]1CN(C(=O)C2CC2)C[C@@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000966048729 811007851 /nfs/dbraw/zinc/00/78/51/811007851.db2.gz MUBFWFWCWJUESC-KCJUWKMLSA-N -1 0 320.349 -0.527 20 0 DBADRM CC(C)CC(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC000966089123 811014660 /nfs/dbraw/zinc/01/46/60/811014660.db2.gz FABRESOCJYMZLL-IUCAKERBSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@@H]1C ZINC000966444101 811075492 /nfs/dbraw/zinc/07/54/92/811075492.db2.gz HTURXSHXLVSTOU-GZMMTYOYSA-N -1 0 303.322 -0.381 20 0 DBADRM CCC(=O)N[C@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000966587518 811104516 /nfs/dbraw/zinc/10/45/16/811104516.db2.gz ZQTRIJPXJXHKQC-SCZZXKLOSA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NC(=O)C(F)F ZINC000966642327 811112747 /nfs/dbraw/zinc/11/27/47/811112747.db2.gz NHGIBMPSGSBJKU-WHFBIAKZSA-N -1 0 317.252 -0.875 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C(F)F ZINC000966642310 811113056 /nfs/dbraw/zinc/11/30/56/811113056.db2.gz NHGIBMPSGSBJKU-CRCLSJGQSA-N -1 0 317.252 -0.875 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NC(=O)C(F)F ZINC000966642322 811113351 /nfs/dbraw/zinc/11/33/51/811113351.db2.gz NHGIBMPSGSBJKU-UHNVWZDZSA-N -1 0 317.252 -0.875 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C(C)(C)C ZINC000966645891 811114028 /nfs/dbraw/zinc/11/40/28/811114028.db2.gz YCUOLTLCWMXFOI-JGVFFNPUSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1CCC1 ZINC000966646968 811114267 /nfs/dbraw/zinc/11/42/67/811114267.db2.gz GEQMLCBHRKUDIQ-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)C(=O)N[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC000966663657 811117057 /nfs/dbraw/zinc/11/70/57/811117057.db2.gz QCNZDKNLEAYQHT-KOLCDFICSA-N -1 0 322.365 -0.281 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1(C)C ZINC000966911328 811184001 /nfs/dbraw/zinc/18/40/01/811184001.db2.gz BCWYYBWDJVLABJ-QMMMGPOBSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C(C)(C)C1 ZINC000967082406 811195506 /nfs/dbraw/zinc/19/55/06/811195506.db2.gz GURABMQMTOABOE-MRVPVSSYSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N(C)C[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000967150118 811205089 /nfs/dbraw/zinc/20/50/89/811205089.db2.gz YIFPJOICNZKHFQ-VIFPVBQESA-N -1 0 309.326 -0.387 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cn[nH]n1 ZINC000967187758 811218269 /nfs/dbraw/zinc/21/82/69/811218269.db2.gz XDBWMLIWUDKVOV-VXNVDRBHSA-N -1 0 306.330 -0.731 20 0 DBADRM CC(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2CC1 ZINC000967292440 811241062 /nfs/dbraw/zinc/24/10/62/811241062.db2.gz AURNSJZBLFNYCV-PHIMTYICSA-N -1 0 323.353 -0.594 20 0 DBADRM CC(=O)N(C)[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000967431831 811258090 /nfs/dbraw/zinc/25/80/90/811258090.db2.gz YKYRMHQSDNBSIL-SNVBAGLBSA-N -1 0 311.342 -0.451 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1C ZINC000967683214 811279085 /nfs/dbraw/zinc/27/90/85/811279085.db2.gz ZBROLAQSEHDOOT-APPZFPTMSA-N -1 0 320.357 -0.423 20 0 DBADRM CCN(C(=O)C1CC1)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000967716592 811285264 /nfs/dbraw/zinc/28/52/64/811285264.db2.gz VIHGDQVUWIZVLZ-UHFFFAOYSA-N -1 0 320.349 -0.431 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)[C@@H]2C[C@@H]2C)C1 ZINC000968172673 811358347 /nfs/dbraw/zinc/35/83/47/811358347.db2.gz XZWMBWXKZKTZFY-IONNQARKSA-N -1 0 321.337 -0.388 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cc1c[nH]cn1 ZINC000968361372 811394391 /nfs/dbraw/zinc/39/43/91/811394391.db2.gz WDYHHCIPKNRTTB-KOLCDFICSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](N[C@H](C)c3nnnn3C)C2)c1[O-] ZINC000968415745 811402950 /nfs/dbraw/zinc/40/29/50/811402950.db2.gz DPOQAJCCEFURSK-RKDXNWHRSA-N -1 0 320.357 -0.487 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cnon1 ZINC000968444469 811411183 /nfs/dbraw/zinc/41/11/83/811411183.db2.gz KVKAFZAYSDCFRH-CBAPKCEASA-N -1 0 307.314 -0.466 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1ncc[nH]1 ZINC000968477077 811421750 /nfs/dbraw/zinc/42/17/50/811421750.db2.gz PMNKJJARMUPBCL-VHSXEESVSA-N -1 0 319.369 -0.197 20 0 DBADRM CCC(=O)N1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](O)C1 ZINC000969054015 811539779 /nfs/dbraw/zinc/53/97/79/811539779.db2.gz IHWOQMKSHSXHDZ-BDAKNGLRSA-N -1 0 320.305 -0.360 20 0 DBADRM C[C@H](NC(=O)c1cnn(C)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969276617 811557804 /nfs/dbraw/zinc/55/78/04/811557804.db2.gz LLLLXGDSWZFFPW-QMMMGPOBSA-N -1 0 305.342 -0.506 20 0 DBADRM Cn1nccc1C(=O)NC1CN(C(=O)c2ncccc2O)C1 ZINC000990427498 811631407 /nfs/dbraw/zinc/63/14/07/811631407.db2.gz NEMXIVMOQMVSAP-UHFFFAOYSA-N -1 0 301.306 -0.225 20 0 DBADRM CC(=O)N1CCCC[C@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000990441393 811638672 /nfs/dbraw/zinc/63/86/72/811638672.db2.gz PIEXMLFIUIQTSL-VIFPVBQESA-N -1 0 309.326 -0.244 20 0 DBADRM C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC000990519317 811682367 /nfs/dbraw/zinc/68/23/67/811682367.db2.gz RJBBHUQYVNQXFD-NSHDSACASA-N -1 0 304.350 -0.178 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)C[C@H]3COC(=O)C3)C2)c1[O-] ZINC000990831507 811780429 /nfs/dbraw/zinc/78/04/29/811780429.db2.gz JNDSIDCHVBGMRP-MRVPVSSYSA-N -1 0 322.321 -0.682 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3nonc3C)C2)c1[O-] ZINC000990853947 811789392 /nfs/dbraw/zinc/78/93/92/811789392.db2.gz JLXCOEPANKEUFO-UHFFFAOYSA-N -1 0 306.282 -0.630 20 0 DBADRM COC1CC(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)C1 ZINC000990857431 811790880 /nfs/dbraw/zinc/79/08/80/811790880.db2.gz DFPCAJHRJGUUSP-UHFFFAOYSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@@]3(C)CCOC3)C2)c1[O-] ZINC000990860140 811792094 /nfs/dbraw/zinc/79/20/94/811792094.db2.gz LZHNLTFHIINXSN-AWEZNQCLSA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001040976970 815475496 /nfs/dbraw/zinc/47/54/96/815475496.db2.gz XNMSTEZJVCUXDI-HTQZYQBOSA-N -1 0 324.366 -0.437 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cnn(C)c3)C2)c1[O-] ZINC000990864181 811792644 /nfs/dbraw/zinc/79/26/44/811792644.db2.gz KFBGXSFDVHBXRS-UHFFFAOYSA-N -1 0 304.310 -0.588 20 0 DBADRM Cc1c[nH]nc1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990864272 811792756 /nfs/dbraw/zinc/79/27/56/811792756.db2.gz LEOYVYPLBZDQIS-UHFFFAOYSA-N -1 0 304.310 -0.290 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@H]3C[C@@]34CCOC4)C2)c1[O-] ZINC000990863194 811792847 /nfs/dbraw/zinc/79/28/47/811792847.db2.gz QDQQCHMYZFZFMA-MEBBXXQBSA-N -1 0 320.349 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cnc(C)cn3)C2)c1[O-] ZINC000990863725 811793058 /nfs/dbraw/zinc/79/30/58/811793058.db2.gz HHHKLGSTLWIZQG-UHFFFAOYSA-N -1 0 316.321 -0.223 20 0 DBADRM CCn1nccc1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990864096 811793088 /nfs/dbraw/zinc/79/30/88/811793088.db2.gz JCTSEQYPKZZIMI-UHFFFAOYSA-N -1 0 318.337 -0.105 20 0 DBADRM COC(=O)[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990864969 811794045 /nfs/dbraw/zinc/79/40/45/811794045.db2.gz OKWHFDAHPQMVSO-BDAKNGLRSA-N -1 0 322.321 -0.827 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC(NCc3nnn(C)n3)CC2)c1[O-] ZINC000991108689 811884205 /nfs/dbraw/zinc/88/42/05/811884205.db2.gz AWDDADYBSWQSRX-UHFFFAOYSA-N -1 0 320.357 -0.658 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@H]1O ZINC000991159134 811915845 /nfs/dbraw/zinc/91/58/45/811915845.db2.gz WRYSBJUZJSMKHT-PSASIEDQSA-N -1 0 320.305 -0.360 20 0 DBADRM Cc1nnc(CC(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)o1 ZINC000991166710 811926209 /nfs/dbraw/zinc/92/62/09/811926209.db2.gz HIIUPXHHUFZDDA-UHFFFAOYSA-N -1 0 320.309 -0.702 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC(N)=O)CC[C@H]2C)c1[O-] ZINC001004742029 812004843 /nfs/dbraw/zinc/00/48/43/812004843.db2.gz YFPQVDZOKJJGLI-VXNVDRBHSA-N -1 0 323.353 -0.734 20 0 DBADRM CCC(=O)N1CC[C@@H](C)[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001005102942 812029026 /nfs/dbraw/zinc/02/90/26/812029026.db2.gz YIGZUTZJTMXWSF-BDAKNGLRSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)N1CC[C@H](C)[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001005117919 812030227 /nfs/dbraw/zinc/03/02/27/812030227.db2.gz SHFLFUHTEDFCSI-KWQFWETISA-N -1 0 308.338 -0.527 20 0 DBADRM CN(C(=O)c1ccnn1C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005172436 812040172 /nfs/dbraw/zinc/04/01/72/812040172.db2.gz XWFYKDDIOQRZES-UHFFFAOYSA-N -1 0 319.369 -0.020 20 0 DBADRM CC(=O)NCC1(O)CN(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC001041055282 815497549 /nfs/dbraw/zinc/49/75/49/815497549.db2.gz MTBKUNAHRFSZKL-UHFFFAOYSA-N -1 0 316.317 -0.342 20 0 DBADRM CC(=O)NC[C@@H]1CCCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001005316116 812059832 /nfs/dbraw/zinc/05/98/32/812059832.db2.gz LPBGXGUFPSTYOE-JTQLQIEISA-N -1 0 311.342 -0.403 20 0 DBADRM CN(C(=O)c1cn[nH]n1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005649056 812085252 /nfs/dbraw/zinc/08/52/52/812085252.db2.gz SNRKZCVFZQOESK-UHFFFAOYSA-N -1 0 306.330 -0.635 20 0 DBADRM CNC(=O)CN1CCC(N(C)C(=O)c2c(C)nc[nH]c2=O)CC1 ZINC001005859744 812126222 /nfs/dbraw/zinc/12/62/22/812126222.db2.gz HMZUIRRLFBPOMF-UHFFFAOYSA-N -1 0 321.381 -0.227 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(C(=O)c3cnon3)C2)c1[O-] ZINC001005921713 812132887 /nfs/dbraw/zinc/13/28/87/812132887.db2.gz KIDRGGVTMXLOJB-LURJTMIESA-N -1 0 320.309 -0.303 20 0 DBADRM C[C@@H](NC(=O)[C@H]1C[C@@H]1C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006629226 812229515 /nfs/dbraw/zinc/22/95/15/812229515.db2.gz ZCPRHYDQWBVCBA-OOZYFLPDSA-N -1 0 321.337 -0.485 20 0 DBADRM CC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001006804759 812249789 /nfs/dbraw/zinc/24/97/89/812249789.db2.gz YBMMHRGGFJOQFL-SDBXPKJASA-N -1 0 307.310 -0.586 20 0 DBADRM CNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001007132608 812269898 /nfs/dbraw/zinc/26/98/98/812269898.db2.gz ANXXTMMYESXSQN-VHSXEESVSA-N -1 0 309.370 -0.248 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(CC(=O)NC3CC3)C2)c1[O-] ZINC001007132741 812270046 /nfs/dbraw/zinc/27/00/46/812270046.db2.gz CCMVGMGVFAQYPD-LLVKDONJSA-N -1 0 321.381 -0.103 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001007161482 812272483 /nfs/dbraw/zinc/27/24/83/812272483.db2.gz HSFYAASTLONPSB-VHSXEESVSA-N -1 0 320.357 -0.556 20 0 DBADRM O=C(c1cn[nH]c1)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041105502 815516309 /nfs/dbraw/zinc/51/63/09/815516309.db2.gz SFKHSDNBZXLPTH-AWEZNQCLSA-N -1 0 317.353 -0.028 20 0 DBADRM CN1C[C@@H](C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001007453123 812312047 /nfs/dbraw/zinc/31/20/47/812312047.db2.gz QHSWUYICFZSMND-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM CO[C@@H](C)C(=O)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041115795 815519344 /nfs/dbraw/zinc/51/93/44/815519344.db2.gz RKBAHBKFBABMPB-IINYFYTJSA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCC(=O)NC1 ZINC001007736790 812351300 /nfs/dbraw/zinc/35/13/00/812351300.db2.gz HSZYHVGBQXMGJU-UWVGGRQHSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@@]1(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CNC(=O)C1 ZINC001008036824 812378155 /nfs/dbraw/zinc/37/81/55/812378155.db2.gz RMUKPWZAJSQQIU-XPTSAGLGSA-N -1 0 322.369 -0.883 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]c1=O ZINC001008421376 812427804 /nfs/dbraw/zinc/42/78/04/812427804.db2.gz IPEPOMQWBVCERW-MRVPVSSYSA-N -1 0 321.341 -0.656 20 0 DBADRM C[C@@]1(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CCC(=O)N1 ZINC001008437613 812429988 /nfs/dbraw/zinc/42/99/88/812429988.db2.gz PASMCODXKIDCGP-OTYXRUKQSA-N -1 0 322.369 -0.740 20 0 DBADRM O=C(Cc1c[nH]cn1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008683456 812459473 /nfs/dbraw/zinc/45/94/73/812459473.db2.gz PLIJHZSJVIUPMO-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1nnsc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010122132 812627650 /nfs/dbraw/zinc/62/76/50/812627650.db2.gz FBKLTKAQYCSZIH-SSDOTTSWSA-N -1 0 309.355 -0.325 20 0 DBADRM C[C@@H]1C[C@H](CNC(=O)C2CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001010236858 812641715 /nfs/dbraw/zinc/64/17/15/812641715.db2.gz LQQBOLAGMYBICQ-HTQZYQBOSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1ncncc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010321752 812661503 /nfs/dbraw/zinc/66/15/03/812661503.db2.gz BUIVFIPMVMBAJG-SECBINFHSA-N -1 0 303.326 -0.387 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001010337529 812664984 /nfs/dbraw/zinc/66/49/84/812664984.db2.gz FXXLGGUVLVAOIC-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1cc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001010399933 812683021 /nfs/dbraw/zinc/68/30/21/812683021.db2.gz ZDGCEIJXEODUJM-VIFPVBQESA-N -1 0 306.326 -0.260 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cccc(=O)[nH]1 ZINC001010453100 812699922 /nfs/dbraw/zinc/69/99/22/812699922.db2.gz CDEVYCXCNTXAEH-MRVPVSSYSA-N -1 0 304.310 -0.385 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cccc(=O)[nH]1 ZINC001010453109 812700006 /nfs/dbraw/zinc/70/00/06/812700006.db2.gz CDEVYCXCNTXAEH-QMMMGPOBSA-N -1 0 304.310 -0.385 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3cnnn3C)C2)c1[O-] ZINC001010620474 812727415 /nfs/dbraw/zinc/72/74/15/812727415.db2.gz NIVROBKBPWEEAG-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ncccc1O ZINC001010730752 812756137 /nfs/dbraw/zinc/75/61/37/812756137.db2.gz HIVFFEFLQOVEMR-QMMMGPOBSA-N -1 0 304.310 -0.385 20 0 DBADRM CC(=O)N1CCCC2(CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC001010765088 812763496 /nfs/dbraw/zinc/76/34/96/812763496.db2.gz YHXNDEGGHUVMDS-UHFFFAOYSA-N -1 0 309.326 -0.840 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3ncc[nH]3)CC2)c1[O-] ZINC001011006845 812811471 /nfs/dbraw/zinc/81/14/71/812811471.db2.gz IITQQEBZOQDWSZ-UHFFFAOYSA-N -1 0 304.310 -0.255 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001011009296 812812099 /nfs/dbraw/zinc/81/20/99/812812099.db2.gz BRNGPCSNLDSMEI-UHFFFAOYSA-N -1 0 319.325 -0.552 20 0 DBADRM O=C(c1ncc[nH]1)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041266718 815559446 /nfs/dbraw/zinc/55/94/46/815559446.db2.gz VLHJIQVGUZVJBX-CQSZACIVSA-N -1 0 317.353 -0.028 20 0 DBADRM C[C@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C(F)F ZINC001011349928 812884156 /nfs/dbraw/zinc/88/41/56/812884156.db2.gz UGPJFCVQUVJMBS-WHFBIAKZSA-N -1 0 317.252 -0.733 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)[C@H]1C ZINC001011759601 812942737 /nfs/dbraw/zinc/94/27/37/812942737.db2.gz CNMUHDDQNGKJSB-GZMMTYOYSA-N -1 0 303.322 -0.238 20 0 DBADRM C[C@H]1[C@@H](NC(=O)C2CCC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001011929280 812973000 /nfs/dbraw/zinc/97/30/00/812973000.db2.gz GWSSNLTVUGQENK-CBAPKCEASA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@@H]1[C@H](NC(=O)C2(C)CC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001011933146 812973128 /nfs/dbraw/zinc/97/31/28/812973128.db2.gz ZOOLEVHXPBCHTL-HTQZYQBOSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@H]1[C@H](NC(=O)C2CCC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001011943246 812973838 /nfs/dbraw/zinc/97/38/38/812973838.db2.gz IXAONDXJJFKFCK-WCBMZHEXSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(C)C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001011944977 812974231 /nfs/dbraw/zinc/97/42/31/812974231.db2.gz POCYRBTYTHJRCD-IUCAKERBSA-N -1 0 311.342 -0.549 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)CN1C(=O)C1CC1 ZINC001012140963 813016207 /nfs/dbraw/zinc/01/62/07/813016207.db2.gz GGFRHLXSRGEDFU-SCZZXKLOSA-N -1 0 320.349 -0.385 20 0 DBADRM CC(C)=CC(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001012238585 813025463 /nfs/dbraw/zinc/02/54/63/813025463.db2.gz YMCGKZRFLMDMMZ-DTWKUNHWSA-N -1 0 321.337 -0.032 20 0 DBADRM C/C=C(/C)C(=O)N1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001012449405 813057673 /nfs/dbraw/zinc/05/76/73/813057673.db2.gz LKEBECMHYYQWLF-QPGUZKIZSA-N -1 0 323.353 -0.239 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3cnon3)C[C@H]2C)c1[O-] ZINC001012495076 813060444 /nfs/dbraw/zinc/06/04/44/813060444.db2.gz NDGABZJTPSZLAT-SVRRBLITSA-N -1 0 320.309 -0.160 20 0 DBADRM CC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001012616521 813079702 /nfs/dbraw/zinc/07/97/02/813079702.db2.gz KBAZYCXJWYHETL-SCZZXKLOSA-N -1 0 303.322 -0.238 20 0 DBADRM CC(=O)N[C@H]1C[C@@H](C)N(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001013143806 813110945 /nfs/dbraw/zinc/11/09/45/813110945.db2.gz WMJAEGHHCIXTLQ-APPZFPTMSA-N -1 0 309.326 -0.659 20 0 DBADRM CC(=O)N[C@H]1C[C@H](C)N(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001013143807 813111054 /nfs/dbraw/zinc/11/10/54/813111054.db2.gz WMJAEGHHCIXTLQ-CBAPKCEASA-N -1 0 309.326 -0.659 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C2(C)CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013413682 813138214 /nfs/dbraw/zinc/13/82/14/813138214.db2.gz PHFQIQCIFYOFKF-SFYZADRCSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C2(C)CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013487784 813141567 /nfs/dbraw/zinc/14/15/67/813141567.db2.gz NRRXAVYEVGJPRA-DTWKUNHWSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(C)C(=O)N[C@H]1C[C@@H](C)N(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001013493780 813141673 /nfs/dbraw/zinc/14/16/73/813141673.db2.gz WRXKIMLKEDKGTA-BDAKNGLRSA-N -1 0 311.342 -0.549 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C2CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013493169 813141723 /nfs/dbraw/zinc/14/17/23/813141723.db2.gz SHAVLKPNFRNCOK-CBAPKCEASA-N -1 0 309.326 -0.795 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(F)F)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013493574 813141758 /nfs/dbraw/zinc/14/17/58/813141758.db2.gz VFGGYYGOIDTXCH-RITPCOANSA-N -1 0 319.268 -0.940 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C2CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013493171 813141808 /nfs/dbraw/zinc/14/18/08/813141808.db2.gz SHAVLKPNFRNCOK-IONNQARKSA-N -1 0 309.326 -0.795 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3cnon3)C2)c1[O-] ZINC001013823282 813173024 /nfs/dbraw/zinc/17/30/24/813173024.db2.gz RGUPDLSGIITGOJ-XPUUQOCRSA-N -1 0 320.309 -0.160 20 0 DBADRM CCC(=O)N[C@@]12CCC[C@H]1N(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC001014106187 813209900 /nfs/dbraw/zinc/20/99/00/813209900.db2.gz FMFYOMLYRZUJKO-XLKFXECMSA-N -1 0 321.337 -0.054 20 0 DBADRM CCC(=O)N1CC[C@@]2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CCC[C@H]12 ZINC001014353289 813222437 /nfs/dbraw/zinc/22/24/37/813222437.db2.gz MMRWMUADWZPADI-XPTSAGLGSA-N -1 0 323.353 -0.261 20 0 DBADRM CC(=O)N1CC[C@]2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CCC[C@@H]12 ZINC001014355817 813222441 /nfs/dbraw/zinc/22/24/41/813222441.db2.gz RHOFXZLBEVHSHL-NOZJJQNGSA-N -1 0 309.326 -0.651 20 0 DBADRM CCn1nncc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014369273 813223890 /nfs/dbraw/zinc/22/38/90/813223890.db2.gz LGHVAHBPRURESX-QMMMGPOBSA-N -1 0 306.330 -0.874 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC001014512380 813257835 /nfs/dbraw/zinc/25/78/35/813257835.db2.gz DQZKGGLCYJWLLP-DCAQKATOSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c(C)nn1 ZINC001014561464 813265719 /nfs/dbraw/zinc/26/57/19/813265719.db2.gz TVXUHYIRPQZXLU-SNVBAGLBSA-N -1 0 317.353 -0.079 20 0 DBADRM O=C(C[C@@H]1CCC(=O)NC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014702027 813296323 /nfs/dbraw/zinc/29/63/23/813296323.db2.gz VAGIVKYHNWMLPG-VHSXEESVSA-N -1 0 322.369 -0.883 20 0 DBADRM CN1CC[C@H](CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1=O ZINC001014857748 813324421 /nfs/dbraw/zinc/32/44/21/813324421.db2.gz XFLSRLGTKLDNKA-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM CN1CC[C@@H](CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1=O ZINC001014857746 813325214 /nfs/dbraw/zinc/32/52/14/813325214.db2.gz XFLSRLGTKLDNKA-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc[nH]c1=O ZINC001014874840 813329487 /nfs/dbraw/zinc/32/94/87/813329487.db2.gz POQSLQKTLAORHW-SSDOTTSWSA-N -1 0 305.298 -0.990 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001014968689 813343172 /nfs/dbraw/zinc/34/31/72/813343172.db2.gz PGGZCGQZUVUYTH-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1n[nH]c2c1CCC2 ZINC001015069186 813362698 /nfs/dbraw/zinc/36/26/98/813362698.db2.gz CVUCAAIRXCYMGB-MRVPVSSYSA-N -1 0 317.353 -0.274 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1n[nH]c2c1CCC2 ZINC001015069189 813362895 /nfs/dbraw/zinc/36/28/95/813362895.db2.gz CVUCAAIRXCYMGB-QMMMGPOBSA-N -1 0 317.353 -0.274 20 0 DBADRM Cn1ccc(CN2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001015109988 813370325 /nfs/dbraw/zinc/37/03/25/813370325.db2.gz ORXZPQIBDQEUQS-MRVPVSSYSA-N -1 0 319.325 -0.979 20 0 DBADRM O=C(N[C@H]1CCN(Cc2cscn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015121564 813372698 /nfs/dbraw/zinc/37/26/98/813372698.db2.gz VAJKHGIAKNXLDE-ZETCQYMHSA-N -1 0 322.350 -0.256 20 0 DBADRM Cc1conc1CN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015120175 813373091 /nfs/dbraw/zinc/37/30/91/813373091.db2.gz OMGDNAVYMZMUBI-MRVPVSSYSA-N -1 0 320.309 -0.416 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)[C@@H]2C)c1[O-] ZINC001015176645 813381214 /nfs/dbraw/zinc/38/12/14/813381214.db2.gz FKACSTYTHKTQAZ-JGVFFNPUSA-N -1 0 309.326 -0.982 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)[C@@H]2C)c1[O-] ZINC001015176650 813381300 /nfs/dbraw/zinc/38/13/00/813381300.db2.gz FKACSTYTHKTQAZ-YUMQZZPRSA-N -1 0 309.326 -0.982 20 0 DBADRM Cn1ccc(=O)c(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001015217036 813393498 /nfs/dbraw/zinc/39/34/98/813393498.db2.gz BEYFSOFZOFGLJB-VIFPVBQESA-N -1 0 318.337 -0.787 20 0 DBADRM CCC(=O)N[C@H]1CC[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001015264416 813400748 /nfs/dbraw/zinc/40/07/48/813400748.db2.gz LPWUHKOPTXUPES-ZJUUUORDSA-N -1 0 322.365 -0.089 20 0 DBADRM Cc1cncn1CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015296162 813403516 /nfs/dbraw/zinc/40/35/16/813403516.db2.gz VOPPIIBOKPFGAK-SNVBAGLBSA-N -1 0 305.342 -0.594 20 0 DBADRM O=C(Cc1ccc(=O)[nH]c1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015310669 813404964 /nfs/dbraw/zinc/40/49/64/813404964.db2.gz ONGCJZKMKLYLMT-SNVBAGLBSA-N -1 0 318.337 -0.456 20 0 DBADRM CC(C)C(=O)N[C@H]1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015344720 813410015 /nfs/dbraw/zinc/41/00/15/813410015.db2.gz SDOPXIDMDAHAMN-BDAKNGLRSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C(N[C@H]1CC[C@H](CNC(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015504808 813439367 /nfs/dbraw/zinc/43/93/67/813439367.db2.gz MYLZEMMJMHXHMC-CBAPKCEASA-N -1 0 321.337 -0.293 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c(=O)[nH]1 ZINC001015759062 813518010 /nfs/dbraw/zinc/51/80/10/813518010.db2.gz MHNOAHNANMVDCG-SECBINFHSA-N -1 0 318.337 -0.076 20 0 DBADRM Cc1n[nH]c(C)c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015863359 813542586 /nfs/dbraw/zinc/54/25/86/813542586.db2.gz VIAWDJFRJFSHQD-VIFPVBQESA-N -1 0 305.342 -0.145 20 0 DBADRM CCCn1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001015915655 813562750 /nfs/dbraw/zinc/56/27/50/813562750.db2.gz VBVIUCXVFGRJMU-SECBINFHSA-N -1 0 320.357 -0.484 20 0 DBADRM CCn1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001015916777 813563560 /nfs/dbraw/zinc/56/35/60/813563560.db2.gz QDTCMIROFIICCM-QMMMGPOBSA-N -1 0 306.330 -0.874 20 0 DBADRM COc1cccc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001015931558 813567029 /nfs/dbraw/zinc/56/70/29/813567029.db2.gz FABNGZGNXKHBCJ-SECBINFHSA-N -1 0 318.337 -0.082 20 0 DBADRM Cc1cc(=O)c(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c[nH]1 ZINC001015939590 813568973 /nfs/dbraw/zinc/56/89/73/813568973.db2.gz WCQXPYCQTXDSNA-SECBINFHSA-N -1 0 318.337 -0.489 20 0 DBADRM CCn1cc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001015975832 813578632 /nfs/dbraw/zinc/57/86/32/813578632.db2.gz VOXJPXFTACYOFJ-NSHDSACASA-N -1 0 319.369 -0.340 20 0 DBADRM CCn1cc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001015975831 813578913 /nfs/dbraw/zinc/57/89/13/813578913.db2.gz VOXJPXFTACYOFJ-LLVKDONJSA-N -1 0 319.369 -0.340 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016107145 813598382 /nfs/dbraw/zinc/59/83/82/813598382.db2.gz PJZPWVQHOKIRMD-VIFPVBQESA-N -1 0 305.342 -0.525 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016107138 813598847 /nfs/dbraw/zinc/59/88/47/813598847.db2.gz PJZPWVQHOKIRMD-SECBINFHSA-N -1 0 305.342 -0.525 20 0 DBADRM Cc1cnc(CN2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001016111115 813599811 /nfs/dbraw/zinc/59/98/11/813599811.db2.gz PNJMIZPRXBCGLX-VIFPVBQESA-N -1 0 322.325 -0.624 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(Cc2cccnc2)C1 ZINC001016109266 813600027 /nfs/dbraw/zinc/60/00/27/813600027.db2.gz BRSFGKDTRYBSAM-NSHDSACASA-N -1 0 318.337 -0.525 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC(NC(=O)C2(C)CC2)C1 ZINC001016791374 813720132 /nfs/dbraw/zinc/72/01/32/813720132.db2.gz HJECLAQGCPKQMX-UHFFFAOYSA-N -1 0 321.337 -0.198 20 0 DBADRM CN(C(=O)c1cnc([O-])n(C)c1=O)C1CC(NC(=O)C2CC2)C1 ZINC001016828222 813727999 /nfs/dbraw/zinc/72/79/99/813727999.db2.gz YNKATTZKTWTINJ-UHFFFAOYSA-N -1 0 320.349 -0.385 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)C1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001016874672 813734955 /nfs/dbraw/zinc/73/49/55/813734955.db2.gz APMFLSYUFKUZJC-KRTGUUSXSA-N -1 0 321.337 -0.342 20 0 DBADRM Cc1nonc1C(=O)N1CC=C(CNC(=O)c2cn[nH]n2)CC1 ZINC001017567534 813809234 /nfs/dbraw/zinc/80/92/34/813809234.db2.gz SJYITZFCECETPN-UHFFFAOYSA-N -1 0 317.309 -0.302 20 0 DBADRM CCC(=O)N[C@@H]1CC[C@H](C)N(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001017864963 813844139 /nfs/dbraw/zinc/84/41/39/813844139.db2.gz OLAOFVDFFODOJW-DTWKUNHWSA-N -1 0 311.342 -0.405 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)CC(N)=O)C2)c1[O-] ZINC001018088385 813862550 /nfs/dbraw/zinc/86/25/50/813862550.db2.gz NQBLJNHILJDSSA-APPZFPTMSA-N -1 0 323.353 -0.592 20 0 DBADRM CCC(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@@H]1C ZINC001018288319 813887090 /nfs/dbraw/zinc/88/70/90/813887090.db2.gz IRARKFXAUZPMSE-JGVFFNPUSA-N -1 0 309.326 -0.198 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)CC[C@H]1C ZINC001018307004 813887835 /nfs/dbraw/zinc/88/78/35/813887835.db2.gz JZLVNNWQTQHWEY-PSASIEDQSA-N -1 0 308.338 -0.385 20 0 DBADRM CCC(=O)N1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@H]1C ZINC001018307336 813887907 /nfs/dbraw/zinc/88/79/07/813887907.db2.gz RVOCRIWJMBMFJO-RKDXNWHRSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(=O)N1CC[C@H](C)[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001018467037 813917000 /nfs/dbraw/zinc/91/70/00/813917000.db2.gz VWAQSHPBRQNCIW-ONGXEEELSA-N -1 0 322.365 -0.280 20 0 DBADRM CC(=O)N1CC[C@H](C)[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001018467025 813917064 /nfs/dbraw/zinc/91/70/64/813917064.db2.gz VWAQSHPBRQNCIW-GXSJLCMTSA-N -1 0 322.365 -0.280 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@@H]1C ZINC001018598230 813935386 /nfs/dbraw/zinc/93/53/86/813935386.db2.gz LWYAWQWVZLCSGY-WPRPVWTQSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)C(N)=O)CC[C@@H]2C)c1[O-] ZINC001018619249 813939452 /nfs/dbraw/zinc/93/94/52/813939452.db2.gz PHFVCYCKBUKSGF-CBAPKCEASA-N -1 0 323.353 -0.877 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC2(CN(C(=O)C3CC3)C2)C1 ZINC001018663213 813953834 /nfs/dbraw/zinc/95/38/34/813953834.db2.gz WFJLRFRQHJTWQI-UHFFFAOYSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1ccnc1CN[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001019094653 814068556 /nfs/dbraw/zinc/06/85/56/814068556.db2.gz GBZGHEOSDVPNDX-QMMMGPOBSA-N -1 0 319.325 -0.979 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](NCc2nncs2)C1 ZINC001019094659 814069134 /nfs/dbraw/zinc/06/91/34/814069134.db2.gz GGVVOGUIZVLPTM-LURJTMIESA-N -1 0 323.338 -0.861 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](NCc2nccs2)C1 ZINC001019094751 814070438 /nfs/dbraw/zinc/07/04/38/814070438.db2.gz KWEVTIIZSOOWIC-ZETCQYMHSA-N -1 0 322.350 -0.256 20 0 DBADRM Cc1nnc(CN[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001020352873 814361391 /nfs/dbraw/zinc/36/13/91/814361391.db2.gz CTCYUVVMXDTGJW-LJGSYFOKSA-N -1 0 321.297 -0.975 20 0 DBADRM Cc1cc(=O)c(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1C ZINC001030482578 814396499 /nfs/dbraw/zinc/39/64/99/814396499.db2.gz AYFABJDHCCQKGX-UHFFFAOYSA-N -1 0 318.337 -0.868 20 0 DBADRM CN(C(=O)[C@H]1CCCC(=O)N1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033174970 814435208 /nfs/dbraw/zinc/43/52/08/814435208.db2.gz BRXHGTZGHHADOS-NXEZZACHSA-N -1 0 322.369 -0.788 20 0 DBADRM COC1CC(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001033175899 814435364 /nfs/dbraw/zinc/43/53/64/814435364.db2.gz IWCIIYVIIQSNJE-HSOILSAZSA-N -1 0 309.370 -0.032 20 0 DBADRM CN(C(=O)[C@@H]1CCCNC1=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033171529 814435695 /nfs/dbraw/zinc/43/56/95/814435695.db2.gz ZGCBKTAEOLAADL-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C(=O)[C@@H]1CCCNC1=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033171525 814436346 /nfs/dbraw/zinc/43/63/46/814436346.db2.gz ZGCBKTAEOLAADL-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C(=O)c1cncn1C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033231688 814450904 /nfs/dbraw/zinc/45/09/04/814450904.db2.gz CICZACIHPXWNTK-VIFPVBQESA-N -1 0 305.342 -0.410 20 0 DBADRM CN(C(=O)c1cncn1C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033231687 814450977 /nfs/dbraw/zinc/45/09/77/814450977.db2.gz CICZACIHPXWNTK-SECBINFHSA-N -1 0 305.342 -0.410 20 0 DBADRM CN(C(=O)[C@@H]1CCN(C)C1=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033341074 814482356 /nfs/dbraw/zinc/48/23/56/814482356.db2.gz LAXWKYLLHWIIEQ-NXEZZACHSA-N -1 0 322.369 -0.979 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033431279 814508351 /nfs/dbraw/zinc/50/83/51/814508351.db2.gz HJCOMNXYPRTUDD-SCVCMEIPSA-N -1 0 309.370 -0.032 20 0 DBADRM CN(C(=O)c1ncccn1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033527896 814531148 /nfs/dbraw/zinc/53/11/48/814531148.db2.gz YHXSRTMEYMRQOM-VIFPVBQESA-N -1 0 303.326 -0.353 20 0 DBADRM CCn1cc(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001033549602 814538785 /nfs/dbraw/zinc/53/87/85/814538785.db2.gz QOCGOTHUWJUCKS-SECBINFHSA-N -1 0 320.357 -0.532 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(C/C=C\Cl)C1 ZINC001033617538 814553827 /nfs/dbraw/zinc/55/38/27/814553827.db2.gz VNJSCIPJDBXZQY-FIFYQCSRSA-N -1 0 315.761 -0.026 20 0 DBADRM CN(C(=O)c1ccc(=O)[nH]c1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033634837 814557083 /nfs/dbraw/zinc/55/70/83/814557083.db2.gz YZFHYKDILOIVFL-JTQLQIEISA-N -1 0 318.337 -0.043 20 0 DBADRM Cc1nccn1CC(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033663889 814566911 /nfs/dbraw/zinc/56/69/11/814566911.db2.gz AJSBXWRIHBVAJJ-NSHDSACASA-N -1 0 319.369 -0.252 20 0 DBADRM Cc1nc[nH]c1C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033711412 814578811 /nfs/dbraw/zinc/57/88/11/814578811.db2.gz NHLPYZXEYIBPIZ-VIFPVBQESA-N -1 0 305.342 -0.112 20 0 DBADRM CCN(C(=O)c1cc[nH]n1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033763852 814583360 /nfs/dbraw/zinc/58/33/60/814583360.db2.gz INRBNRXGBZYYJC-SECBINFHSA-N -1 0 305.342 -0.030 20 0 DBADRM CCN(C(=O)c1ccnn1C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033770616 814584571 /nfs/dbraw/zinc/58/45/71/814584571.db2.gz ZHYAMURBMZKKOB-SNVBAGLBSA-N -1 0 319.369 -0.020 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])[C@@H]1CCN([C@@H](C)C(N)=O)C1 ZINC001033795901 814586655 /nfs/dbraw/zinc/58/66/55/814586655.db2.gz PCANGGMMRUKIAY-VHSXEESVSA-N -1 0 309.370 -0.166 20 0 DBADRM CCN(C(=O)c1ncc[nH]1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033825851 814593754 /nfs/dbraw/zinc/59/37/54/814593754.db2.gz JQNSBGWMRYZKJD-SECBINFHSA-N -1 0 305.342 -0.030 20 0 DBADRM CCN(C(=O)c1cnc([O-])n(C)c1=O)[C@H]1CCN(CCF)C1 ZINC001033919044 814607158 /nfs/dbraw/zinc/60/71/58/814607158.db2.gz JJCGWCQGADCCIH-JTQLQIEISA-N -1 0 312.345 -0.008 20 0 DBADRM O=C(N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)c1nnc[nH]1 ZINC001034449607 814684016 /nfs/dbraw/zinc/68/40/16/814684016.db2.gz YUTGTTWIBKOJPJ-MRVPVSSYSA-N -1 0 306.330 -0.587 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCCCN(CCF)C1 ZINC001034510313 814691673 /nfs/dbraw/zinc/69/16/73/814691673.db2.gz HQSGUAGHODIYCE-VIFPVBQESA-N -1 0 301.322 -0.371 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]2CNCc2cnn(C)n2)c1[O-] ZINC001034909083 814742248 /nfs/dbraw/zinc/74/22/48/814742248.db2.gz ZWMFRFZTRJEGNG-LLVKDONJSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)no1 ZINC001035289895 814878317 /nfs/dbraw/zinc/87/83/17/814878317.db2.gz SMGKSZYRQFUPIB-VIFPVBQESA-N -1 0 322.325 -0.562 20 0 DBADRM CC1CC(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)C1 ZINC001035338664 814897655 /nfs/dbraw/zinc/89/76/55/814897655.db2.gz XDHYWDDWNPWUOG-ILDUYXDCSA-N -1 0 309.370 -0.127 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ccsn1 ZINC001035413062 814924039 /nfs/dbraw/zinc/92/40/39/814924039.db2.gz ZYZHAGUSCOFRDV-MRVPVSSYSA-N -1 0 324.366 -0.402 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]3CCN(CC(N)=O)[C@H]3C2)c1[O-] ZINC001042016411 815797989 /nfs/dbraw/zinc/79/79/89/815797989.db2.gz PIBWIKQFKJJFBT-UWVGGRQHSA-N -1 0 307.354 -0.555 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]3CCN(CC(N)=O)[C@@H]3C2)c1[O-] ZINC001042016413 815798492 /nfs/dbraw/zinc/79/84/92/815798492.db2.gz PIBWIKQFKJJFBT-VHSXEESVSA-N -1 0 307.354 -0.555 20 0 DBADRM O=C(c1cn[nH]n1)N1CC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001042131947 815837201 /nfs/dbraw/zinc/83/72/01/815837201.db2.gz ZRVMMWIYUOBGGX-WCBMZHEXSA-N -1 0 318.341 -0.635 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C3CC(C)C3)C2)c1[O-] ZINC001042465712 815922035 /nfs/dbraw/zinc/92/20/35/815922035.db2.gz XCNCVLWWHHEUKS-UHFFFAOYSA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)[C@H]3C[C@H]3C)C2)c1[O-] ZINC001042572263 815956745 /nfs/dbraw/zinc/95/67/45/815956745.db2.gz ILQHQAHSJHCVCO-APPZFPTMSA-N -1 0 308.338 -0.617 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)C[C@@H]3C[C@@H]3C)C2)c1[O-] ZINC001042575887 815959138 /nfs/dbraw/zinc/95/91/38/815959138.db2.gz FPLHEONARDSHGC-WPRPVWTQSA-N -1 0 322.365 -0.227 20 0 DBADRM CN(C(=O)C[C@@H]1COC(=O)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042615509 815968561 /nfs/dbraw/zinc/96/85/61/815968561.db2.gz HPCUQDQAHSORIZ-QMMMGPOBSA-N -1 0 309.326 -0.894 20 0 DBADRM Cc1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cnn1 ZINC001042659190 815984108 /nfs/dbraw/zinc/98/41/08/815984108.db2.gz QXDBGGRQXKKKNY-UHFFFAOYSA-N -1 0 303.326 -0.435 20 0 DBADRM Cc1ccnc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001042670275 815988129 /nfs/dbraw/zinc/98/81/29/815988129.db2.gz YHHJTPAZSRXINU-UHFFFAOYSA-N -1 0 303.326 -0.435 20 0 DBADRM CN(C(=O)C1(F)CCOCC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042868548 816049874 /nfs/dbraw/zinc/04/98/74/816049874.db2.gz YMICBSMWCSDMSE-UHFFFAOYSA-N -1 0 313.333 -0.328 20 0 DBADRM CN(C(=O)C[C@H]1CCN(C)C1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043011885 816093171 /nfs/dbraw/zinc/09/31/71/816093171.db2.gz OVHNPXJGUBIHIO-SECBINFHSA-N -1 0 322.369 -0.979 20 0 DBADRM CN(C(=O)[C@@H]1CCN(C)C(=O)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043113149 816115360 /nfs/dbraw/zinc/11/53/60/816115360.db2.gz MVGPUGKOQRFHDJ-SECBINFHSA-N -1 0 322.369 -0.979 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(Cc2ccccn2)C1 ZINC001043230900 816149922 /nfs/dbraw/zinc/14/99/22/816149922.db2.gz HXJBNLXRHVASGR-UHFFFAOYSA-N -1 0 316.321 -0.366 20 0 DBADRM CCc1nnsc1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043258437 816152371 /nfs/dbraw/zinc/15/23/71/816152371.db2.gz RMCJEKYAQDDKMT-UHFFFAOYSA-N -1 0 323.382 -0.119 20 0 DBADRM CC[C@H](CN1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1)OC ZINC001043509492 816207052 /nfs/dbraw/zinc/20/70/52/816207052.db2.gz FFTNWQGGUUIPAT-LLVKDONJSA-N -1 0 324.381 -0.333 20 0 DBADRM CN(C(=O)C[C@H]1CCC(=O)N1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043510411 816207127 /nfs/dbraw/zinc/20/71/27/816207127.db2.gz NNNPWYWSHXUFFE-SECBINFHSA-N -1 0 322.369 -0.836 20 0 DBADRM CN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(C/C=C/Cl)C1 ZINC001043511925 816207814 /nfs/dbraw/zinc/20/78/14/816207814.db2.gz YCALLPXNVNYOJN-ONEGZZNKSA-N -1 0 312.757 -0.005 20 0 DBADRM CN(C(=O)c1cccc(=O)n1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043822871 816280691 /nfs/dbraw/zinc/28/06/91/816280691.db2.gz BNZJNROOVWOYGT-UHFFFAOYSA-N -1 0 318.337 -0.835 20 0 DBADRM CC(=O)N1CC(O)(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001043989308 816331042 /nfs/dbraw/zinc/33/10/42/816331042.db2.gz YSXHZMCVJPLEJK-UHFFFAOYSA-N -1 0 306.278 -0.749 20 0 DBADRM CN(C(=O)Cc1cscn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044010624 816334823 /nfs/dbraw/zinc/33/48/23/816334823.db2.gz YJBLEMHHJWYSOM-UHFFFAOYSA-N -1 0 308.367 -0.148 20 0 DBADRM Cc1nocc1CN1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001044235760 816389636 /nfs/dbraw/zinc/38/96/36/816389636.db2.gz BRHSBVBHCXSLGQ-UHFFFAOYSA-N -1 0 322.325 -0.671 20 0 DBADRM CC(=O)N1CC[C@@H](C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001044239427 816390438 /nfs/dbraw/zinc/39/04/38/816390438.db2.gz CMUQQRVOOPJHSA-SNVBAGLBSA-N -1 0 322.369 -0.979 20 0 DBADRM CN(C(=O)[C@H]1CCCC(=O)N1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044244656 816391882 /nfs/dbraw/zinc/39/18/82/816391882.db2.gz QBFFATXUMTWNDF-SNVBAGLBSA-N -1 0 322.369 -0.836 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044287217 816401865 /nfs/dbraw/zinc/40/18/65/816401865.db2.gz XZHYSPBLBMFYAO-UHFFFAOYSA-N -1 0 319.369 -0.264 20 0 DBADRM CCC(=O)N1CCN([C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001045989565 816707651 /nfs/dbraw/zinc/70/76/51/816707651.db2.gz LUAQDMOXNVDJPH-NSHDSACASA-N -1 0 308.386 -0.361 20 0 DBADRM O=C(C1CC1)N1CCN([C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001045993024 816709302 /nfs/dbraw/zinc/70/93/02/816709302.db2.gz RRRZQKSTLZCGAI-GFCCVEGCSA-N -1 0 320.397 -0.361 20 0 DBADRM C[C@]1(NC(=O)c2cnccn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046113065 816757840 /nfs/dbraw/zinc/75/78/40/816757840.db2.gz CLNAXSFAODJTEK-ZDUSSCGKSA-N -1 0 303.326 -0.305 20 0 DBADRM C[C@]1(NC(=O)c2cnns2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046165519 816769597 /nfs/dbraw/zinc/76/95/97/816769597.db2.gz MLPOJCFUZQBJDO-NSHDSACASA-N -1 0 309.355 -0.244 20 0 DBADRM C[C@]1(NC(=O)c2cnsn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046169371 816770939 /nfs/dbraw/zinc/77/09/39/816770939.db2.gz SMRAZURAHCAWKC-NSHDSACASA-N -1 0 309.355 -0.244 20 0 DBADRM Cc1nn(C)cc1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046201787 816777747 /nfs/dbraw/zinc/77/77/47/816777747.db2.gz DBBUJMUXMNPTBO-AWEZNQCLSA-N -1 0 319.369 -0.053 20 0 DBADRM CC[C@H](C(N)=O)N1CC[C@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001046238568 816790272 /nfs/dbraw/zinc/79/02/72/816790272.db2.gz GVHAOSAWOZNDTF-OTYXRUKQSA-N -1 0 309.370 -0.118 20 0 DBADRM CNC(=O)[C@@H](C)N1CC[C@@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001046240007 816791391 /nfs/dbraw/zinc/79/13/91/816791391.db2.gz OLEAVSLANZPJQO-YMTOWFKASA-N -1 0 309.370 -0.248 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN([C@@H]3CCNC3=O)C2)c1[O-] ZINC001046246674 816792330 /nfs/dbraw/zinc/79/23/30/816792330.db2.gz MQAGFUAYCOZLHI-YMTOWFKASA-N -1 0 307.354 -0.494 20 0 DBADRM C[C@@]1(NC(=O)C2=CCOCC2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046263330 816798305 /nfs/dbraw/zinc/79/83/05/816798305.db2.gz FTIFFWWGKZWQDK-CQSZACIVSA-N -1 0 307.354 -0.062 20 0 DBADRM Cn1nncc1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046286233 816804673 /nfs/dbraw/zinc/80/46/73/816804673.db2.gz UBGGDJUDWNTIIK-LBPRGKRZSA-N -1 0 306.330 -0.967 20 0 DBADRM CCn1nncc1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046299567 816812390 /nfs/dbraw/zinc/81/23/90/816812390.db2.gz OAMZVRAXHSIFFX-ZDUSSCGKSA-N -1 0 320.357 -0.484 20 0 DBADRM Cc1c[nH]nc1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046311804 816814914 /nfs/dbraw/zinc/81/49/14/816814914.db2.gz QJYPRHGGLBVMNN-ZDUSSCGKSA-N -1 0 305.342 -0.064 20 0 DBADRM CN1C[C@H](C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001046360939 816826222 /nfs/dbraw/zinc/82/62/22/816826222.db2.gz ZIIMOJKRBLBPOT-OTYXRUKQSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@@]1(NC(=O)[C@H]2CCCNC2=O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046395020 816835861 /nfs/dbraw/zinc/83/58/61/816835861.db2.gz ZLUHZKVVBNYRAH-LKFCYVNXSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@]1(NC(=O)c2cn[nH]c(=O)c2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046399345 816837239 /nfs/dbraw/zinc/83/72/39/816837239.db2.gz GWRUNMKOMISEQU-ZDUSSCGKSA-N -1 0 319.325 -0.600 20 0 DBADRM Cn1cncc1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046454001 816853908 /nfs/dbraw/zinc/85/39/08/816853908.db2.gz CSGRUBDQTTTWLP-ZDUSSCGKSA-N -1 0 305.342 -0.362 20 0 DBADRM C[C@]1(NC(=O)c2csnn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046518939 816867244 /nfs/dbraw/zinc/86/72/44/816867244.db2.gz ZMIOYBGYVGKTOZ-NSHDSACASA-N -1 0 309.355 -0.244 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046569478 816890620 /nfs/dbraw/zinc/89/06/20/816890620.db2.gz ZGELDGLHQVKSPY-YMTOWFKASA-N -1 0 322.369 -0.788 20 0 DBADRM C[C@@]1(NC(=O)c2ncccn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046718403 816932706 /nfs/dbraw/zinc/93/27/06/816932706.db2.gz CIDVMHFGNPHXHU-CYBMUJFWSA-N -1 0 303.326 -0.305 20 0 DBADRM C[C@]1(NC(=O)c2cccnn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046723035 816934281 /nfs/dbraw/zinc/93/42/81/816934281.db2.gz XMUZZZHFIDOFTO-ZDUSSCGKSA-N -1 0 303.326 -0.305 20 0 DBADRM Cc1nonc1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046876911 816967715 /nfs/dbraw/zinc/96/77/15/816967715.db2.gz KXBBDXQLFVNAKG-LBPRGKRZSA-N -1 0 307.314 -0.404 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC34CC4)C2)c1[O-] ZINC001047141478 817013920 /nfs/dbraw/zinc/01/39/20/817013920.db2.gz UJJXSVHGZTZPKQ-VIFPVBQESA-N -1 0 320.349 -0.473 20 0 DBADRM CN(C(=O)C[C@H]1C=CCC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047297177 817043466 /nfs/dbraw/zinc/04/34/66/817043466.db2.gz HXSTURHYFIGNJG-SRVKXCTJSA-N -1 0 321.381 -0.130 20 0 DBADRM Cc1occc1C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047297455 817044411 /nfs/dbraw/zinc/04/44/11/817044411.db2.gz OMRORVOFFFAPBO-QWRGUYRKSA-N -1 0 321.337 -0.271 20 0 DBADRM O=C([C@@H]1CCCO1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048667369 817393732 /nfs/dbraw/zinc/39/37/32/817393732.db2.gz ZQINRCFUQMSCRI-AXFHLTTASA-N -1 0 307.354 -0.421 20 0 DBADRM O=C([C@@H]1CCOC1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048714137 817409077 /nfs/dbraw/zinc/40/90/77/817409077.db2.gz HHJNDPHRINDEOH-MXWKQRLJSA-N -1 0 307.354 -0.563 20 0 DBADRM O=C([C@H]1CCCOC1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048720949 817412011 /nfs/dbraw/zinc/41/20/11/817412011.db2.gz WMVTYAAJDIAFHD-SDDRHHMPSA-N -1 0 321.381 -0.173 20 0 DBADRM Cc1n[nH]cc1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048970301 817495920 /nfs/dbraw/zinc/49/59/20/817495920.db2.gz CAHWEKWDZMEYRK-AOOOYVTPSA-N -1 0 317.353 -0.254 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001049066833 817522558 /nfs/dbraw/zinc/52/25/58/817522558.db2.gz QTDUPZIUODJYQF-DCQANWLSSA-N -1 0 321.381 -0.175 20 0 DBADRM O=C(c1ccnnc1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001049077296 817525027 /nfs/dbraw/zinc/52/50/27/817525027.db2.gz PJFJYHPSAXZSMB-PHIMTYICSA-N -1 0 315.337 -0.496 20 0 DBADRM O=C(c1ncccn1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001049125356 817537324 /nfs/dbraw/zinc/53/73/24/817537324.db2.gz FHFBAKPPCWBCNH-AOOOYVTPSA-N -1 0 315.337 -0.496 20 0 DBADRM C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001049138560 817541559 /nfs/dbraw/zinc/54/15/59/817541559.db2.gz SCGTYGOFIAOPFD-NNYUYHANSA-N -1 0 321.381 -0.175 20 0 DBADRM O=C(c1cn[nH]n1)N1CCC[C@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001049571343 817611263 /nfs/dbraw/zinc/61/12/63/817611263.db2.gz RURKSCCRGXSTBI-VHSXEESVSA-N -1 0 318.341 -0.493 20 0 DBADRM O=C(c1nc[nH]n1)N1CCC[C@@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001049797128 817638367 /nfs/dbraw/zinc/63/83/67/817638367.db2.gz GMZYODLCBBFRHE-RKDXNWHRSA-N -1 0 318.341 -0.493 20 0 DBADRM O=C([C@@H]1CCOC1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001050452344 817716777 /nfs/dbraw/zinc/71/67/77/817716777.db2.gz LEMKCFVAEDNFFE-LLVKDONJSA-N -1 0 321.381 -0.029 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1c1ncccn1 ZINC001050502766 817722678 /nfs/dbraw/zinc/72/26/78/817722678.db2.gz OHKAPIBUYPGXPH-BDAKNGLRSA-N -1 0 319.325 -0.737 20 0 DBADRM O=C(c1cn[nH]n1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001050578332 817733068 /nfs/dbraw/zinc/73/30/68/817733068.db2.gz NOGPENUOKAFNIL-UHFFFAOYSA-N -1 0 318.341 -0.633 20 0 DBADRM Cn1cccc1C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001050819612 817765897 /nfs/dbraw/zinc/76/58/97/817765897.db2.gz VMYISUTWRGXLLC-SNVBAGLBSA-N -1 0 320.353 -0.520 20 0 DBADRM Cc1ncc(C(=O)NC[C@H]2COCCN2Cc2n[nH]c(=O)[n-]2)[nH]1 ZINC001050845450 817774559 /nfs/dbraw/zinc/77/45/59/817774559.db2.gz RELOBYFQQDIMHS-VIFPVBQESA-N -1 0 321.341 -0.827 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2COCCN2Cc2cnon2)c1[O-] ZINC001050877045 817782295 /nfs/dbraw/zinc/78/22/95/817782295.db2.gz SBKXQZVRZXDLLP-SNVBAGLBSA-N -1 0 322.325 -0.562 20 0 DBADRM CO[C@@H](C)CN1CCOC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001050875455 817782597 /nfs/dbraw/zinc/78/25/97/817782597.db2.gz BZSKOMJOGPGAQX-ONGXEEELSA-N -1 0 312.370 -0.111 20 0 DBADRM CO[C@H](C)CN1CCOC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001050875452 817782900 /nfs/dbraw/zinc/78/29/00/817782900.db2.gz BZSKOMJOGPGAQX-KOLCDFICSA-N -1 0 312.370 -0.111 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1CC1(F)F ZINC001050910068 817791490 /nfs/dbraw/zinc/79/14/90/817791490.db2.gz BVZFRGRCCZZVJH-JGVFFNPUSA-N -1 0 317.296 -0.518 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ccns1 ZINC001050942391 817800362 /nfs/dbraw/zinc/80/03/62/817800362.db2.gz ARCOQCYOJSNWQH-QMMMGPOBSA-N -1 0 324.366 -0.402 20 0 DBADRM CC(C)CN1CCOC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001051006349 817821316 /nfs/dbraw/zinc/82/13/16/817821316.db2.gz PZHOLGWCBJVLPN-VIFPVBQESA-N -1 0 311.342 -0.631 20 0 DBADRM CCN1CCOC[C@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC001051148789 817857891 /nfs/dbraw/zinc/85/78/91/817857891.db2.gz AYGXWUXVLPDLRA-SNVBAGLBSA-N -1 0 305.338 -0.527 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1nccs1 ZINC001051180383 817870357 /nfs/dbraw/zinc/87/03/57/817870357.db2.gz GLPXFLPOMCYWSL-QMMMGPOBSA-N -1 0 324.366 -0.402 20 0 DBADRM Cc1cnoc1C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001051192255 817873197 /nfs/dbraw/zinc/87/31/97/817873197.db2.gz GQKMSIKNPDRUNK-SECBINFHSA-N -1 0 322.325 -0.562 20 0 DBADRM Cc1c[nH]cc1C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001051247127 817887947 /nfs/dbraw/zinc/88/79/47/817887947.db2.gz YRNXISDWXLTBTI-JTQLQIEISA-N -1 0 320.353 -0.222 20 0 DBADRM CC(=O)N1C[C@@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC001051706776 818009729 /nfs/dbraw/zinc/00/97/29/818009729.db2.gz MYMYCSLZCBJSMR-PSASIEDQSA-N -1 0 323.353 -0.554 20 0 DBADRM C[C@@H]1CN(C(=O)C2CC2)C[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001051720953 818016373 /nfs/dbraw/zinc/01/63/73/818016373.db2.gz KKPVEYLUEADXNX-SCZZXKLOSA-N -1 0 323.353 -0.690 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)[C@H]1CC12CC2 ZINC001053937588 818045505 /nfs/dbraw/zinc/04/55/05/818045505.db2.gz GWPZUOBHKKNUCC-NXEZZACHSA-N -1 0 319.365 -0.230 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)[C@@H]1CC12CC2 ZINC001053937591 818045985 /nfs/dbraw/zinc/04/59/85/818045985.db2.gz GWPZUOBHKKNUCC-ZJUUUORDSA-N -1 0 319.365 -0.230 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NCc3ncnn3C)C2)c1[O-] ZINC001054566252 818140772 /nfs/dbraw/zinc/14/07/72/818140772.db2.gz ABQJOQZZSVSDFO-PSASIEDQSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H](NCc3ncnn3C)C2)c1[O-] ZINC001054566256 818141023 /nfs/dbraw/zinc/14/10/23/818141023.db2.gz ABQJOQZZSVSDFO-WCBMZHEXSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H](NCc3nncn3C)C2)c1[O-] ZINC001054579738 818141869 /nfs/dbraw/zinc/14/18/69/818141869.db2.gz JAPCFGWGHOKQBI-WCBMZHEXSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)[C@@H](C)C2)c1[O-] ZINC001054572206 818142076 /nfs/dbraw/zinc/14/20/76/818142076.db2.gz MIBAYFBZYWZSEC-XPUUQOCRSA-N -1 0 321.341 -0.502 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NCc3cnn(C)n3)[C@@H](C)C2)c1[O-] ZINC001054572054 818142086 /nfs/dbraw/zinc/14/20/86/818142086.db2.gz LOWFAZKUIHWVDD-KWQFWETISA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1ccnc(N[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001056681115 818433973 /nfs/dbraw/zinc/43/39/73/818433973.db2.gz WEFNYGUYYZBNRV-SECBINFHSA-N -1 0 319.325 -0.499 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](Nc2cc(F)ncn2)C1 ZINC001056680973 818434005 /nfs/dbraw/zinc/43/40/05/818434005.db2.gz NNIFVCISGGCKJD-SSDOTTSWSA-N -1 0 323.288 -0.669 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)C(C)(F)F)c1[O-] ZINC001056782431 818471377 /nfs/dbraw/zinc/47/13/77/818471377.db2.gz SKPLNEWLTZCVFQ-UHFFFAOYSA-N -1 0 320.296 -0.370 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)c2ccon2)c1[O-] ZINC001057092407 818587443 /nfs/dbraw/zinc/58/74/43/818587443.db2.gz KBJKCDQDTQJTET-UHFFFAOYSA-N -1 0 323.309 -0.724 20 0 DBADRM CO[C@H](C)C(=O)N(CCO)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001057113327 818600331 /nfs/dbraw/zinc/60/03/31/818600331.db2.gz ZNBBJYWQOXFEPM-SECBINFHSA-N -1 0 314.342 -0.991 20 0 DBADRM CO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001057113328 818600662 /nfs/dbraw/zinc/60/06/62/818600662.db2.gz ZNBBJYWQOXFEPM-VIFPVBQESA-N -1 0 314.342 -0.991 20 0 DBADRM Cc1ccc(N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)nn1 ZINC001058413078 818945504 /nfs/dbraw/zinc/94/55/04/818945504.db2.gz KMVZKGDITRHXJJ-VIFPVBQESA-N -1 0 319.325 -0.817 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](Nc2cc(F)ncn2)C1 ZINC001058936517 819081507 /nfs/dbraw/zinc/08/15/07/819081507.db2.gz NNIFVCISGGCKJD-ZETCQYMHSA-N -1 0 323.288 -0.669 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)[C@@H]2CC23CC3)c1[O-] ZINC001058940095 819083477 /nfs/dbraw/zinc/08/34/77/819083477.db2.gz ZOPBYTVAEDGQOG-JTQLQIEISA-N -1 0 322.365 -0.225 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](Nc2ncccn2)C1 ZINC001059118840 819111114 /nfs/dbraw/zinc/11/11/14/819111114.db2.gz YBYSITDCROPKJZ-ZETCQYMHSA-N -1 0 303.282 -0.601 20 0 DBADRM Cc1nccc(N[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001059118810 819111167 /nfs/dbraw/zinc/11/11/67/819111167.db2.gz XGUIWZFVLCNXFU-QMMMGPOBSA-N -1 0 317.309 -0.292 20 0 DBADRM Cc1ccnc(N[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001059118756 819111381 /nfs/dbraw/zinc/11/13/81/819111381.db2.gz UGJJTZNLQLGRMF-QMMMGPOBSA-N -1 0 317.309 -0.292 20 0 DBADRM Cc1cc(N[C@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)ncn1 ZINC001059270944 819126740 /nfs/dbraw/zinc/12/67/40/819126740.db2.gz YCPHSWHMPMFMJM-KYZUINATSA-N -1 0 319.325 -0.453 20 0 DBADRM Cc1nccc(N[C@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001059270882 819126807 /nfs/dbraw/zinc/12/68/07/819126807.db2.gz UAMNIQREACKOEV-KYZUINATSA-N -1 0 319.325 -0.453 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](Nc2cnc(F)cn2)C1 ZINC001059270957 819127271 /nfs/dbraw/zinc/12/72/71/819127271.db2.gz YUWRBLKAHMNVBL-LJGSYFOKSA-N -1 0 323.288 -0.622 20 0 DBADRM Cc1ccnc(N[C@H]2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001059689527 819167224 /nfs/dbraw/zinc/16/72/24/819167224.db2.gz QFRVPQVQILKMKM-DTORHVGOSA-N -1 0 319.325 -0.453 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](Nc2ncccn2)C1 ZINC001059689543 819167323 /nfs/dbraw/zinc/16/73/23/819167323.db2.gz QKZZTQDCZZSCLI-OCAPTIKFSA-N -1 0 305.298 -0.761 20 0 DBADRM Cc1nccc(N[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001059882314 819183813 /nfs/dbraw/zinc/18/38/13/819183813.db2.gz FGWVTFIUTZDTND-OCAPTIKFSA-N -1 0 317.309 -0.246 20 0 DBADRM CC(C)C(=O)NCC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001060001680 819190476 /nfs/dbraw/zinc/19/04/76/819190476.db2.gz DLLNCGHIKJNNNJ-VIFPVBQESA-N -1 0 323.353 -0.093 20 0 DBADRM CC(=O)NCC(=O)NCC1(NC(=O)c2[nH]nc(C)c2[O-])CCC1 ZINC001062410299 819480494 /nfs/dbraw/zinc/48/04/94/819480494.db2.gz LJWDIIUXAVLFSN-UHFFFAOYSA-N -1 0 323.353 -0.671 20 0 DBADRM CC(C)C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001063788748 819638771 /nfs/dbraw/zinc/63/87/71/819638771.db2.gz SETCBUJKWUZAEX-UHFFFAOYSA-N -1 0 309.326 -0.293 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(c3ncccn3)C[C@@H]2O)c1[O-] ZINC001067667760 820115621 /nfs/dbraw/zinc/11/56/21/820115621.db2.gz PJEFLLRAIMPALZ-ZJUUUORDSA-N -1 0 318.337 -0.559 20 0 DBADRM CCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(C(C)=O)CC1 ZINC001069073309 820284714 /nfs/dbraw/zinc/28/47/14/820284714.db2.gz XLAHAOCXJOMVOS-UHFFFAOYSA-N -1 0 309.326 -0.196 20 0 DBADRM CCC1(NC(=O)C(N)=O)CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001069305900 820292372 /nfs/dbraw/zinc/29/23/72/820292372.db2.gz XPYINLJOJVYLOL-UHFFFAOYSA-N -1 0 323.353 -0.590 20 0 DBADRM CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001069884835 820323862 /nfs/dbraw/zinc/32/38/62/820323862.db2.gz DHSGRVMUGQQSQU-BDAKNGLRSA-N -1 0 306.330 -0.947 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)C2=COCCO2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071329352 820670096 /nfs/dbraw/zinc/67/00/96/820670096.db2.gz KDQAWFIUNWFKDR-NXEZZACHSA-N -1 0 323.353 -0.132 20 0 DBADRM CC(=O)N1C[C@H](C)[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001071421605 820679416 /nfs/dbraw/zinc/67/94/16/820679416.db2.gz GGTRUGNYFJJDDV-WCBMZHEXSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001071734875 820763752 /nfs/dbraw/zinc/76/37/52/820763752.db2.gz CFEWJEXFCSSUOP-APPZFPTMSA-N -1 0 320.357 -0.280 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071747331 820767814 /nfs/dbraw/zinc/76/78/14/820767814.db2.gz BREMKFLRQIXMTO-HKLXJQGRSA-N -1 0 321.381 -0.128 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)Cc2c[nH]cn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071846441 820793453 /nfs/dbraw/zinc/79/34/53/820793453.db2.gz AMTPUSOIDHTBAX-UWVGGRQHSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)c2cnon2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071913679 820808206 /nfs/dbraw/zinc/80/82/06/820808206.db2.gz HFUSQFBHMIIJDX-YUMQZZPRSA-N -1 0 307.314 -0.324 20 0 DBADRM CC(C)=CC(=O)N[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001072453560 820923480 /nfs/dbraw/zinc/92/34/80/820923480.db2.gz LSKCDHGJDWKNIF-IUCAKERBSA-N -1 0 321.337 -0.174 20 0 DBADRM CCCC(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001072483118 820929371 /nfs/dbraw/zinc/92/93/71/820929371.db2.gz CTXJLYHEBLGDJH-RKDXNWHRSA-N -1 0 311.342 -0.548 20 0 DBADRM CCCC(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001072483116 820929405 /nfs/dbraw/zinc/92/94/05/820929405.db2.gz CTXJLYHEBLGDJH-DTWKUNHWSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1cc(C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)[nH]n1 ZINC001072519989 820939990 /nfs/dbraw/zinc/93/99/90/820939990.db2.gz UBLQAGSPHDWGOH-UHFFFAOYSA-N -1 0 317.353 -0.110 20 0 DBADRM CCC(=O)NC1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001073170084 821103344 /nfs/dbraw/zinc/10/33/44/821103344.db2.gz UBQOUNHEHPQLMB-UHFFFAOYSA-N -1 0 309.326 -0.196 20 0 DBADRM O=C(Cn1ccnc1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001073483899 821137662 /nfs/dbraw/zinc/13/76/62/821137662.db2.gz UHGVCHQTZKUSNW-UHFFFAOYSA-N -1 0 317.353 -0.559 20 0 DBADRM Cc1nc[nH]c1C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001073493624 821138296 /nfs/dbraw/zinc/13/82/96/821138296.db2.gz BRVIOFFWWJCUFY-UHFFFAOYSA-N -1 0 317.353 -0.110 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001073736196 821225092 /nfs/dbraw/zinc/22/50/92/821225092.db2.gz LRJKRAJUQRUILS-AXFHLTTASA-N -1 0 309.370 -0.127 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)CC(N)=O)[C@H](C)C2)c1[O-] ZINC001073841041 821250906 /nfs/dbraw/zinc/25/09/06/821250906.db2.gz ZTGJSAQQORZBAG-APPZFPTMSA-N -1 0 323.353 -0.734 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3OCCN(CCO)[C@H]3C2)c1[O-] ZINC001074219938 821310724 /nfs/dbraw/zinc/31/07/24/821310724.db2.gz ZJISRTZBMGNPBN-WDEREUQCSA-N -1 0 310.354 -0.669 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3OCCN(CCCO)[C@@H]3C2)c1[O-] ZINC001074219554 821311356 /nfs/dbraw/zinc/31/13/56/821311356.db2.gz QZXPZTXILRPTHM-VXGBXAGGSA-N -1 0 324.381 -0.279 20 0 DBADRM CCCN1CCO[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC001074286340 821328363 /nfs/dbraw/zinc/32/83/63/821328363.db2.gz NCBSNJTVROAUIC-VHSXEESVSA-N -1 0 323.353 -0.392 20 0 DBADRM CCCN1CCO[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001074286335 821328516 /nfs/dbraw/zinc/32/85/16/821328516.db2.gz NCBSNJTVROAUIC-NXEZZACHSA-N -1 0 323.353 -0.392 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)c2cn[nH]n2)c1[O-] ZINC001076166431 821677747 /nfs/dbraw/zinc/67/77/47/821677747.db2.gz KDSNHHRMWFPCKD-LURJTMIESA-N -1 0 307.314 -0.520 20 0 DBADRM C[C@@H](CCNC(=O)[C@H]1CC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001076176060 821679307 /nfs/dbraw/zinc/67/93/07/821679307.db2.gz FVLGUZSYKZWJMP-JGVFFNPUSA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)s1 ZINC001076691766 821807461 /nfs/dbraw/zinc/80/74/61/821807461.db2.gz PQFSMXNPZXHMTO-RKDXNWHRSA-N -1 0 323.378 -0.145 20 0 DBADRM O=C(C[C@H]1C=CCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076725874 821823744 /nfs/dbraw/zinc/82/37/44/821823744.db2.gz KTGMMCKVFHQAER-HBNTYKKESA-N -1 0 307.354 -0.472 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccccc1O ZINC001076757977 821837818 /nfs/dbraw/zinc/83/78/18/821837818.db2.gz HVSYVGNBMDTRNR-MWLCHTKSSA-N -1 0 319.321 -0.809 20 0 DBADRM C[C@H](OCC1CC1)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001112674548 828373924 /nfs/dbraw/zinc/37/39/24/828373924.db2.gz YWEAOXRWCCWMKY-JTQLQIEISA-N -1 0 309.370 -0.030 20 0 DBADRM C[C@@H](CCNC(=O)c1cc[nH]c1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001076874455 821898352 /nfs/dbraw/zinc/89/83/52/821898352.db2.gz FZHLVKDBRAUTNU-ZETCQYMHSA-N -1 0 320.309 -0.451 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cncn3C)C[C@H]2O)c1[O-] ZINC001076889938 821907385 /nfs/dbraw/zinc/90/73/85/821907385.db2.gz AQSPMFGBBRBWSB-GHMZBOCLSA-N -1 0 320.353 -0.868 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cnsn3)C[C@H]2O)c1[O-] ZINC001076890282 821908461 /nfs/dbraw/zinc/90/84/61/821908461.db2.gz SHYHGLHSQMQMAP-RKDXNWHRSA-N -1 0 324.366 -0.750 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cncs3)C[C@H]2O)c1[O-] ZINC001076892397 821909205 /nfs/dbraw/zinc/90/92/05/821909205.db2.gz KXNOBBINNQMGQE-NXEZZACHSA-N -1 0 323.378 -0.145 20 0 DBADRM Cc1coc(C)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076954863 821940099 /nfs/dbraw/zinc/94/00/99/821940099.db2.gz BYFFVQKNUXMAAE-NXEZZACHSA-N -1 0 321.337 -0.305 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1(C2CC2)CC1 ZINC001077190312 822024966 /nfs/dbraw/zinc/02/49/66/822024966.db2.gz BJNQUBGVABRXDD-NXEZZACHSA-N -1 0 307.354 -0.638 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@@H]1CCC1(F)F ZINC001077203637 822029570 /nfs/dbraw/zinc/02/95/70/822029570.db2.gz FROLUKWFHQCBDN-XLPZGREQSA-N -1 0 317.296 -0.783 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@H]1CCC1(F)F ZINC001077203636 822030381 /nfs/dbraw/zinc/03/03/81/822030381.db2.gz FROLUKWFHQCBDN-BWZBUEFSSA-N -1 0 317.296 -0.783 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CCC1 ZINC001077211668 822033351 /nfs/dbraw/zinc/03/33/51/822033351.db2.gz DMODWMOZYJBYKG-FBIMIBRVSA-N -1 0 309.370 -0.392 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CCC1 ZINC001077211669 822033634 /nfs/dbraw/zinc/03/36/34/822033634.db2.gz DMODWMOZYJBYKG-JMJZKYOTSA-N -1 0 309.370 -0.392 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1(C2CC2)CCC1 ZINC001077460188 822119051 /nfs/dbraw/zinc/11/90/51/822119051.db2.gz SIBGVPLRQVOTPW-GHMZBOCLSA-N -1 0 321.381 -0.248 20 0 DBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(C)C ZINC001077578121 822159368 /nfs/dbraw/zinc/15/93/68/822159368.db2.gz MXYYSCUVVSSANE-ZETCQYMHSA-N -1 0 311.342 -0.047 20 0 DBADRM CSCC(=O)N[C@@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077577011 822159492 /nfs/dbraw/zinc/15/94/92/822159492.db2.gz MSWLSYPNDQJBOB-LURJTMIESA-N -1 0 315.355 -0.730 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077639388 822176577 /nfs/dbraw/zinc/17/65/77/822176577.db2.gz DPVGRHUBMXZJBS-GWOFURMSSA-N -1 0 309.370 -0.392 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC2(CC2)C1 ZINC001077653253 822179806 /nfs/dbraw/zinc/17/98/06/822179806.db2.gz OWPKJBGIRWZROO-NXEZZACHSA-N -1 0 307.354 -0.638 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C=C1CCC1 ZINC001077679781 822186568 /nfs/dbraw/zinc/18/65/68/822186568.db2.gz CKEVYNIRUCZNQE-VIFPVBQESA-N -1 0 323.353 -0.189 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1cc[nH]c1 ZINC001077681034 822187857 /nfs/dbraw/zinc/18/78/57/822187857.db2.gz HXBAEKZPHOOOOP-QMMMGPOBSA-N -1 0 322.325 -0.658 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1CC12CC2 ZINC001077681219 822188000 /nfs/dbraw/zinc/18/80/00/822188000.db2.gz PBDSERUVQNLBPK-IUCAKERBSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@@H](CCNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)CC1CC1 ZINC001077709425 822198449 /nfs/dbraw/zinc/19/84/49/822198449.db2.gz KBIYLIGAZCVCRW-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@H]1CC12CCC2 ZINC001077752713 822216048 /nfs/dbraw/zinc/21/60/48/822216048.db2.gz ZPBZTQIZGHREMD-OPRDCNLKSA-N -1 0 307.354 -0.638 20 0 DBADRM CCC(=O)N[C@@H](C)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001077820234 822233173 /nfs/dbraw/zinc/23/31/73/822233173.db2.gz KIOHAQJFKFNZTA-VIFPVBQESA-N -1 0 320.353 -0.508 20 0 DBADRM CC[C@H](F)C(=O)NCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077837614 822244749 /nfs/dbraw/zinc/24/47/49/822244749.db2.gz MHAGRPYDTLCVEQ-BQBZGAKWSA-N -1 0 315.305 -0.345 20 0 DBADRM CC[C@@H](F)C(=O)NCC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077837064 822245136 /nfs/dbraw/zinc/24/51/36/822245136.db2.gz ALKPRRHVZVAXLY-JGVFFNPUSA-N -1 0 317.321 -0.552 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001077903470 822273031 /nfs/dbraw/zinc/27/30/31/822273031.db2.gz FQKNEAOZXOJHDH-CPOMMVLXSA-N -1 0 322.365 -0.059 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C(C1CC1)C1CC1 ZINC001077971172 822294931 /nfs/dbraw/zinc/29/49/31/822294931.db2.gz BTUPDNPMHZQYKN-GHMZBOCLSA-N -1 0 321.381 -0.392 20 0 DBADRM CCO[C@@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1CC1 ZINC001112860872 828424618 /nfs/dbraw/zinc/42/46/18/828424618.db2.gz DKBCXOQXXVLCLH-GFCCVEGCSA-N -1 0 309.370 -0.030 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001112875530 828428077 /nfs/dbraw/zinc/42/80/77/828428077.db2.gz WQHHUSXREDVRPU-VIFPVBQESA-N -1 0 310.358 -0.931 20 0 DBADRM C[C@H](O)CCCN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001113071348 828455810 /nfs/dbraw/zinc/45/58/10/828455810.db2.gz RPLSNCZPTXSMRB-VIFPVBQESA-N -1 0 311.342 -0.798 20 0 DBADRM Cc1cc(N[C@H](C)[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001113110722 828459253 /nfs/dbraw/zinc/45/92/53/828459253.db2.gz WFFWUDMDIVHEQN-RKDXNWHRSA-N -1 0 321.341 -0.207 20 0 DBADRM C[C@@H](Nc1cc(F)ncn1)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001113364034 828488737 /nfs/dbraw/zinc/48/87/37/828488737.db2.gz HUWUVUJBWGDIOI-RITPCOANSA-N -1 0 323.288 -0.169 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)Nc1ncc(F)cn1 ZINC001113364379 828488759 /nfs/dbraw/zinc/48/87/59/828488759.db2.gz MYZLLNLXRZVPSF-WDSKDSINSA-N -1 0 323.288 -0.169 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113371061 828489479 /nfs/dbraw/zinc/48/94/79/828489479.db2.gz JQVIIRJMSSJPAP-JTQLQIEISA-N -1 0 310.358 -0.931 20 0 DBADRM CCCNC(=O)CCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113554835 828516528 /nfs/dbraw/zinc/51/65/28/828516528.db2.gz ZKUFOGCJYZTYRS-UHFFFAOYSA-N -1 0 324.385 -0.539 20 0 DBADRM Cc1ccnc(N(C)[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001113681701 828538677 /nfs/dbraw/zinc/53/86/77/828538677.db2.gz GBAHSEWMWXKKLS-SECBINFHSA-N -1 0 321.341 -0.571 20 0 DBADRM Cc1cc(N(C)[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001113682411 828538386 /nfs/dbraw/zinc/53/83/86/828538386.db2.gz ZVISMRZLMIOTLB-SECBINFHSA-N -1 0 321.341 -0.571 20 0 DBADRM CC(C)C[C@H](C(N)=O)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113742011 828546831 /nfs/dbraw/zinc/54/68/31/828546831.db2.gz MWYINWRHBBSRCN-SNVBAGLBSA-N -1 0 324.385 -0.698 20 0 DBADRM C[C@@H](CCNC(=O)C(N)=O)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001078115895 823707080 /nfs/dbraw/zinc/70/70/80/823707080.db2.gz AKSVOFGYBRCJGF-LURJTMIESA-N -1 0 321.293 -0.962 20 0 DBADRM CCN(C(=O)C(F)F)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001079187236 823849643 /nfs/dbraw/zinc/84/96/43/823849643.db2.gz VDEHXGMATCJXJI-UHFFFAOYSA-N -1 0 317.252 -0.779 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@@H]3CCN(C)C3=O)C[C@H]2C)c1[O-] ZINC001079573723 823917668 /nfs/dbraw/zinc/91/76/68/823917668.db2.gz LYTLCEFPLPHJER-FBIMIBRVSA-N -1 0 321.381 -0.295 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(C(=O)CNC(C)=O)C1 ZINC001079612083 823924385 /nfs/dbraw/zinc/92/43/85/823924385.db2.gz YIIARFNGXDMODW-UHFFFAOYSA-N -1 0 323.353 -0.767 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)cnn1 ZINC001079627359 823925576 /nfs/dbraw/zinc/92/55/76/823925576.db2.gz XAWXGRRQRIQXCL-LDYMZIIASA-N -1 0 317.353 -0.141 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cc(=O)n(C)o1 ZINC001079629446 823926349 /nfs/dbraw/zinc/92/63/49/823926349.db2.gz LECIMGICGJEBPE-HTQZYQBOSA-N -1 0 322.325 -0.948 20 0 DBADRM Cc1cc(N(C)[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001113967370 828597824 /nfs/dbraw/zinc/59/78/24/828597824.db2.gz BXQJDCILQPANEU-MRVPVSSYSA-N -1 0 319.325 -0.364 20 0 DBADRM CCN(C(=O)C1(C)CC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001079904179 823979931 /nfs/dbraw/zinc/97/99/31/823979931.db2.gz SEDYIGLOICGECT-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM Cc1ncn(C)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001079902347 823980383 /nfs/dbraw/zinc/98/03/83/823980383.db2.gz VRQAQVWRAJHHOF-PSASIEDQSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1cncn1CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001080139718 824005597 /nfs/dbraw/zinc/00/55/97/824005597.db2.gz TUTJMMVAWAMBOR-MWLCHTKSSA-N -1 0 319.369 -0.348 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)c1ncccn1 ZINC001113967503 828597620 /nfs/dbraw/zinc/59/76/20/828597620.db2.gz GQZUUOPFGNVQSB-ZETCQYMHSA-N -1 0 305.298 -0.673 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)c1nccnc1F ZINC001113968523 828597738 /nfs/dbraw/zinc/59/77/38/828597738.db2.gz VUBJYOXHRIAFBG-ZCFIWIBFSA-N -1 0 323.288 -0.533 20 0 DBADRM C/C=C(/C)C(=O)N1CC(N(CC)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001080201101 824011575 /nfs/dbraw/zinc/01/15/75/824011575.db2.gz PNZCANPEVMNDAF-WTKPLQERSA-N -1 0 323.353 -0.285 20 0 DBADRM CCO[C@H](CC)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001113977277 828600395 /nfs/dbraw/zinc/60/03/95/828600395.db2.gz SCLYFXNHLUHXDX-KLBPJQLPSA-N -1 0 309.370 -0.128 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cn(C)c(=O)[nH]1 ZINC001080388715 824037180 /nfs/dbraw/zinc/03/71/80/824037180.db2.gz ZTSIOGUIUSRLEF-HTQZYQBOSA-N -1 0 321.341 -0.800 20 0 DBADRM C[C@H](OCC1CC1)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001113993366 828603663 /nfs/dbraw/zinc/60/36/63/828603663.db2.gz WXUJHTKKJCYKPS-MVVXRAEJSA-N -1 0 321.381 -0.128 20 0 DBADRM CCn1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)n1 ZINC001080555777 824056448 /nfs/dbraw/zinc/05/64/48/824056448.db2.gz MYJUVLJFZUYTIS-MWLCHTKSSA-N -1 0 319.369 -0.023 20 0 DBADRM CCn1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)nn1 ZINC001080687805 824081130 /nfs/dbraw/zinc/08/11/30/824081130.db2.gz HVVTWNRIQNHAFP-RKDXNWHRSA-N -1 0 320.357 -0.628 20 0 DBADRM CCn1cnc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)c1 ZINC001080794317 824095989 /nfs/dbraw/zinc/09/59/89/824095989.db2.gz RUIXRPRNWXOPMJ-NXEZZACHSA-N -1 0 319.369 -0.023 20 0 DBADRM CCCC(=O)NC[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC001081175664 824149709 /nfs/dbraw/zinc/14/97/09/824149709.db2.gz OBIGPVFZQUNMGX-UWVGGRQHSA-N -1 0 310.354 -0.227 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnc(C)[nH]1 ZINC001081448416 824255128 /nfs/dbraw/zinc/25/51/28/824255128.db2.gz BAZFUBVLEIELJE-NXEZZACHSA-N -1 0 321.341 -0.829 20 0 DBADRM O=C(CC[C@@H]1CCOC1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114133813 828630481 /nfs/dbraw/zinc/63/04/81/828630481.db2.gz DVKXSWMLHJYRKD-PUHVVEEASA-N -1 0 321.381 -0.127 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccn(C)c1 ZINC001081529516 824284692 /nfs/dbraw/zinc/28/46/92/824284692.db2.gz CMKYJKHBNNYNMV-GHMZBOCLSA-N -1 0 320.353 -0.522 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1nccs1 ZINC001082266374 824416933 /nfs/dbraw/zinc/41/69/33/824416933.db2.gz FJHDFOVAQGOUAC-HTQZYQBOSA-N -1 0 324.366 -0.404 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1[nH]cnc1C ZINC001082399057 824435221 /nfs/dbraw/zinc/43/52/21/824435221.db2.gz IKZIXSKTQDMDIY-RKDXNWHRSA-N -1 0 321.341 -0.829 20 0 DBADRM O=C(C1CC=CC1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083032066 824484564 /nfs/dbraw/zinc/48/45/64/824484564.db2.gz FQXPHSMECXNJMP-NWDGAFQWSA-N -1 0 319.365 -0.112 20 0 DBADRM COC[C@@H](C)N1C[C@H]2OCCN(C(=O)c3n[nH]c(C)c3[O-])[C@H]2C1 ZINC001083052462 824487169 /nfs/dbraw/zinc/48/71/69/824487169.db2.gz OKCNDGRJZJBJHX-ADEWGFFLSA-N -1 0 324.381 -0.016 20 0 DBADRM Cc1ncc(CN2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)o1 ZINC001083410105 824605770 /nfs/dbraw/zinc/60/57/70/824605770.db2.gz TYBGWCFMBGVMNS-MNOVXSKESA-N -1 0 321.337 -0.305 20 0 DBADRM CC[C@H](F)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001083409981 824606472 /nfs/dbraw/zinc/60/64/72/824606472.db2.gz PBTMHMIODWALIY-AEJSXWLSSA-N -1 0 300.334 -0.053 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]2O)c1[O-] ZINC001083410400 824606859 /nfs/dbraw/zinc/60/68/59/824606859.db2.gz DFUVKECZEKSLLM-MNOVXSKESA-N -1 0 320.353 -0.868 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccnn3C)C[C@@H]2O)c1[O-] ZINC001083410387 824607187 /nfs/dbraw/zinc/60/71/87/824607187.db2.gz CTNNDYYOHDYICF-MNOVXSKESA-N -1 0 320.353 -0.868 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3csnn3)C[C@@H]2O)c1[O-] ZINC001083410651 824607613 /nfs/dbraw/zinc/60/76/13/824607613.db2.gz OVFQBIDNDUWEJH-BDAKNGLRSA-N -1 0 324.366 -0.750 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCC1 ZINC001083561070 824674963 /nfs/dbraw/zinc/67/49/63/824674963.db2.gz DMODWMOZYJBYKG-GDPRMGEGSA-N -1 0 309.370 -0.392 20 0 DBADRM O=C(C[C@H]1C=CCCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083562713 824675883 /nfs/dbraw/zinc/67/58/83/824675883.db2.gz MVNCKNMICVYCQF-TUAOUCFPSA-N -1 0 321.381 -0.082 20 0 DBADRM COCCC1(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CC1 ZINC001114386840 828686311 /nfs/dbraw/zinc/68/63/11/828686311.db2.gz HERDDOSRROYZDF-IAZYJMLFSA-N -1 0 321.381 -0.127 20 0 DBADRM CC1(C)CC[C@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C1 ZINC001083757869 824762179 /nfs/dbraw/zinc/76/21/79/824762179.db2.gz YKICUAXXYCYGJE-AXFHLTTASA-N -1 0 323.397 -0.002 20 0 DBADRM CCc1oncc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083826232 824785054 /nfs/dbraw/zinc/78/50/54/824785054.db2.gz HXOCQGSEQIYHQF-BDAKNGLRSA-N -1 0 322.325 -0.964 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C(C1CC1)C1CC1 ZINC001083934138 824833987 /nfs/dbraw/zinc/83/39/87/824833987.db2.gz BTUPDNPMHZQYKN-MNOVXSKESA-N -1 0 321.381 -0.392 20 0 DBADRM Cc1cc(C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)[nH]n1 ZINC001084214401 824909994 /nfs/dbraw/zinc/90/99/94/824909994.db2.gz OBQNQCTVVIDHJZ-MWLCHTKSSA-N -1 0 317.353 -0.112 20 0 DBADRM C[C@@]1(C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCOC1 ZINC001084742492 824971963 /nfs/dbraw/zinc/97/19/63/824971963.db2.gz RXIDJEIQACVWFB-UEKVPHQBSA-N -1 0 321.381 -0.030 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cnns1 ZINC001085500899 825027832 /nfs/dbraw/zinc/02/78/32/825027832.db2.gz NCOQNBISVLZZRL-ZETCQYMHSA-N -1 0 309.355 -0.292 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001085542559 825037801 /nfs/dbraw/zinc/03/78/01/825037801.db2.gz AJSJQLQOCSVJTR-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2CC(=O)NC2CC2)c1[O-] ZINC001085549714 825040679 /nfs/dbraw/zinc/04/06/79/825040679.db2.gz BSSPFAWMCJLIJO-LLVKDONJSA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2Cc2nnnn2C)c1[O-] ZINC001085549850 825041994 /nfs/dbraw/zinc/04/19/94/825041994.db2.gz FLLACKDYPZYTRG-SECBINFHSA-N -1 0 320.357 -0.706 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2Cc2nnnn2C)c1[O-] ZINC001085549851 825042688 /nfs/dbraw/zinc/04/26/88/825042688.db2.gz FLLACKDYPZYTRG-VIFPVBQESA-N -1 0 320.357 -0.706 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085658674 825076517 /nfs/dbraw/zinc/07/65/17/825076517.db2.gz YDBLYADUQNGLPZ-MRVPVSSYSA-N -1 0 321.341 -0.406 20 0 DBADRM CN(C[C@H]1CCN1Cc1cnon1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001085700809 825088770 /nfs/dbraw/zinc/08/87/70/825088770.db2.gz YMVKWHWHDHYEEL-MRVPVSSYSA-N -1 0 321.297 -0.988 20 0 DBADRM Cc1nnccc1C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085699857 825089046 /nfs/dbraw/zinc/08/90/46/825089046.db2.gz XQSPQADKPFRERV-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cn(C)c(=O)[nH]1 ZINC001085800354 825115684 /nfs/dbraw/zinc/11/56/84/825115684.db2.gz RNDQGTVNZBWEJR-MRVPVSSYSA-N -1 0 321.341 -0.704 20 0 DBADRM CO[C@@H](C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C(C)C ZINC001114781874 828743071 /nfs/dbraw/zinc/74/30/71/828743071.db2.gz YNPGQBAABMKLLS-LLHIFLOGSA-N -1 0 309.370 -0.272 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ccc(=O)[nH]c1 ZINC001085957762 825144357 /nfs/dbraw/zinc/14/43/57/825144357.db2.gz JFADOFBJIMMLRU-JTQLQIEISA-N -1 0 318.337 -0.043 20 0 DBADRM CC1(C)[C@H](NC(=O)C(N)=O)[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)[C@@H]21 ZINC001087302072 825326112 /nfs/dbraw/zinc/32/61/12/825326112.db2.gz MZZGKCUCLGGLPG-SFGNSQDASA-N -1 0 322.369 -0.899 20 0 DBADRM CO[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001087899006 825370975 /nfs/dbraw/zinc/37/09/75/825370975.db2.gz IOCDEOCLVUMABD-AXFHLTTASA-N -1 0 309.370 -0.175 20 0 DBADRM CO[C@H](C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001087899007 825371033 /nfs/dbraw/zinc/37/10/33/825371033.db2.gz IOCDEOCLVUMABD-MXWKQRLJSA-N -1 0 309.370 -0.175 20 0 DBADRM O=C(c1cc[nH]n1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001087894567 825371248 /nfs/dbraw/zinc/37/12/48/825371248.db2.gz XOIWCDHQJDPWNF-ZJUUUORDSA-N -1 0 317.353 -0.173 20 0 DBADRM O=C([C@H]1CCOC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001087904985 825374364 /nfs/dbraw/zinc/37/43/64/825374364.db2.gz XWSJOYNATKXQQN-WOPDTQHZSA-N -1 0 321.381 -0.173 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088519291 825431736 /nfs/dbraw/zinc/43/17/36/825431736.db2.gz PMFORVCGYPZVSU-UTLUCORTSA-N -1 0 322.369 -0.885 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3nncn3C)[C@@H]2C)c1[O-] ZINC001088525879 825433287 /nfs/dbraw/zinc/43/32/87/825433287.db2.gz RCAMROPMSHUJEV-ZJUUUORDSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)N(C)C)[C@@H]2C)c1[O-] ZINC001088524023 825433597 /nfs/dbraw/zinc/43/35/97/825433597.db2.gz BIMMCEPJXCYILX-ZJUUUORDSA-N -1 0 309.370 -0.295 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cncnc2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088535738 825434322 /nfs/dbraw/zinc/43/43/22/825434322.db2.gz KGZNZZZQZUKZAG-SCZZXKLOSA-N -1 0 303.326 -0.307 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)o1 ZINC001088553591 825439103 /nfs/dbraw/zinc/43/91/03/825439103.db2.gz PAIWUFOEBJBKPK-APPZFPTMSA-N -1 0 321.341 -0.477 20 0 DBADRM Cc1c[nH]nc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001088559638 825440906 /nfs/dbraw/zinc/44/09/06/825440906.db2.gz YYJJUMRWCKCSHU-BDAKNGLRSA-N -1 0 305.342 -0.065 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088580802 825443945 /nfs/dbraw/zinc/44/39/45/825443945.db2.gz GTDPRHLATUEZCJ-YCWTYVPXSA-N -1 0 307.354 -0.374 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCNC2=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088638585 825447210 /nfs/dbraw/zinc/44/72/10/825447210.db2.gz MVNAJFFVJAHZJI-BBBLOLIVSA-N -1 0 322.369 -0.885 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1Cc1cnon1 ZINC001088709106 825453676 /nfs/dbraw/zinc/45/36/76/825453676.db2.gz SVWSDQSACRPQSL-SVRRBLITSA-N -1 0 321.297 -0.941 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088765837 825456780 /nfs/dbraw/zinc/45/67/80/825456780.db2.gz QOUOSCJFHAJJSJ-ITMYJUKJSA-N -1 0 322.369 -0.885 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001088784182 825457779 /nfs/dbraw/zinc/45/77/79/825457779.db2.gz MDCZSXRHUGPIOE-SCZZXKLOSA-N -1 0 305.342 -0.065 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088839330 825468130 /nfs/dbraw/zinc/46/81/30/825468130.db2.gz GDEZDSNOZUWLOD-ITMYJUKJSA-N -1 0 322.369 -0.742 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088840881 825468497 /nfs/dbraw/zinc/46/84/97/825468497.db2.gz ZFRBMPYATMETEZ-SVRRBLITSA-N -1 0 309.305 -0.235 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001089076269 825491371 /nfs/dbraw/zinc/49/13/71/825491371.db2.gz RGMOFVFNZVBKSY-SFYZADRCSA-N -1 0 307.314 -0.405 20 0 DBADRM CCC(=O)N[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O ZINC001089982679 825536217 /nfs/dbraw/zinc/53/62/17/825536217.db2.gz YJBYBGLDTZVESG-RYUDHWBXSA-N -1 0 319.365 -0.516 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccncc1 ZINC001090018166 825547332 /nfs/dbraw/zinc/54/73/32/825547332.db2.gz ZBIMXBSFPHYVFR-MNOVXSKESA-N -1 0 318.337 -0.730 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)no1 ZINC001090033372 825551609 /nfs/dbraw/zinc/55/16/09/825551609.db2.gz ZUHWLMBAPPLVAY-WCBMZHEXSA-N -1 0 322.325 -0.828 20 0 DBADRM Cn1cccc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090095654 825563880 /nfs/dbraw/zinc/56/38/80/825563880.db2.gz ZLAMQDQDGVKHQU-GXSJLCMTSA-N -1 0 320.353 -0.786 20 0 DBADRM Cc1[nH]ccc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090175632 825588877 /nfs/dbraw/zinc/58/88/77/825588877.db2.gz VBNWRQWPZSDTML-MNOVXSKESA-N -1 0 320.353 -0.488 20 0 DBADRM Cc1[nH]ccc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090175634 825588914 /nfs/dbraw/zinc/58/89/14/825588914.db2.gz VBNWRQWPZSDTML-WDEREUQCSA-N -1 0 320.353 -0.488 20 0 DBADRM Cc1ncoc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090174333 825589451 /nfs/dbraw/zinc/58/94/51/825589451.db2.gz KMQYIGCRMUHLGR-BDAKNGLRSA-N -1 0 322.325 -0.828 20 0 DBADRM Cc1nc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)co1 ZINC001090207435 825597196 /nfs/dbraw/zinc/59/71/96/825597196.db2.gz VVMZACJZIXKVDN-SCZZXKLOSA-N -1 0 322.325 -0.828 20 0 DBADRM O=C(Cc1ccoc1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090213254 825598105 /nfs/dbraw/zinc/59/81/05/825598105.db2.gz IITUHLPNTNECNZ-QWRGUYRKSA-N -1 0 321.337 -0.603 20 0 DBADRM CC1(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CCC1 ZINC001090494464 825719978 /nfs/dbraw/zinc/71/99/78/825719978.db2.gz YPQOGBFFZXISAF-VHSXEESVSA-N -1 0 309.370 -0.248 20 0 DBADRM CC1(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CC=CC1 ZINC001090550178 825744950 /nfs/dbraw/zinc/74/49/50/825744950.db2.gz OGMXAWBYRJAIAQ-WDEREUQCSA-N -1 0 321.381 -0.082 20 0 DBADRM CO[C@H](C)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001091520312 825965496 /nfs/dbraw/zinc/96/54/96/825965496.db2.gz KQACUAHLKYGMPU-RULNRJAQSA-N -1 0 309.370 -0.175 20 0 DBADRM C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)c1cncn1C ZINC001092789616 826064744 /nfs/dbraw/zinc/06/47/44/826064744.db2.gz LIZJNQUSCXWAJH-NXEZZACHSA-N -1 0 319.369 -0.258 20 0 DBADRM CCN1CC(OC2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)C1 ZINC001093550338 826139030 /nfs/dbraw/zinc/13/90/30/826139030.db2.gz NIVZIRBOPDTLAQ-UHFFFAOYSA-N -1 0 323.353 -0.392 20 0 DBADRM COc1cc(C)nc(NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001093779511 826167625 /nfs/dbraw/zinc/16/76/25/826167625.db2.gz MKOCBLUCDONGOZ-UHFFFAOYSA-N -1 0 323.313 -0.975 20 0 DBADRM CCc1cc(C)nc(NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001093779194 826167897 /nfs/dbraw/zinc/16/78/97/826167897.db2.gz CPNYTDWHJZCNGJ-UHFFFAOYSA-N -1 0 321.341 -0.422 20 0 DBADRM CC(C)c1nccc(NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001093779579 826167949 /nfs/dbraw/zinc/16/79/49/826167949.db2.gz PBDBEDFFNSKREB-UHFFFAOYSA-N -1 0 321.341 -0.169 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCNc1ncccn1 ZINC001093962520 826182309 /nfs/dbraw/zinc/18/23/09/826182309.db2.gz NJQVOLONDRWBKS-UHFFFAOYSA-N -1 0 307.314 -0.512 20 0 DBADRM Cc1cc(NCCNC(=O)c2cnc([O-])n(C)c2=O)nc(C)n1 ZINC001094032268 826189907 /nfs/dbraw/zinc/18/99/07/826189907.db2.gz FTRRUUFGCCJLEU-UHFFFAOYSA-N -1 0 318.337 -0.265 20 0 DBADRM COc1nc(C)cc(NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001094253109 826211189 /nfs/dbraw/zinc/21/11/89/826211189.db2.gz DOTUBRCDAGFTDD-UHFFFAOYSA-N -1 0 321.297 -0.768 20 0 DBADRM Cc1cc(NCCNC(=O)CCc2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001094256940 826211845 /nfs/dbraw/zinc/21/18/45/826211845.db2.gz URZWQBMQCWKLRR-UHFFFAOYSA-N -1 0 319.325 -0.458 20 0 DBADRM Cc1nonc1CNCC=CCNC(=O)c1cnc[nH]c1=O ZINC001274118469 833032013 /nfs/dbraw/zinc/03/20/13/833032013.db2.gz BVWIIIVXWVXZLA-IHWYPQMZSA-N -1 0 304.310 -0.051 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCO1 ZINC001095148923 826308350 /nfs/dbraw/zinc/30/83/50/826308350.db2.gz LYSCRDIREXHOMC-RCWTZXSCSA-N -1 0 307.354 -0.089 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H]2CCNC2=O)c1[O-] ZINC001095323023 826316262 /nfs/dbraw/zinc/31/62/62/826316262.db2.gz HGMTVQRAYFGHIR-VPOLOUISSA-N -1 0 319.365 -0.353 20 0 DBADRM CN(CCCNC(=O)c1cnc([O-])n(C)c1=O)c1ncccn1 ZINC001095695797 826339095 /nfs/dbraw/zinc/33/90/95/826339095.db2.gz KTDIPKCLFBPJIG-UHFFFAOYSA-N -1 0 318.337 -0.468 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1ccnnc1 ZINC001096059936 826355838 /nfs/dbraw/zinc/35/58/38/826355838.db2.gz BERHWYFYENICJB-VWYCJHECSA-N -1 0 315.337 -0.164 20 0 DBADRM O=C(Cn1cncn1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001096496910 826385013 /nfs/dbraw/zinc/38/50/13/826385013.db2.gz MPNWQBAENIVATF-UTLUCORTSA-N -1 0 318.341 -0.977 20 0 DBADRM O=C(Cn1cccn1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001096808296 826398214 /nfs/dbraw/zinc/39/82/14/826398214.db2.gz LZRZFQCFWDUQEZ-MXWKQRLJSA-N -1 0 317.353 -0.372 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)nn1 ZINC001097030340 826407981 /nfs/dbraw/zinc/40/79/81/826407981.db2.gz OEAXZFREGHBFFA-MRTMQBJTSA-N -1 0 318.341 -0.826 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001097677174 826426070 /nfs/dbraw/zinc/42/60/70/826426070.db2.gz HCUKRBCDWXIGRH-JYMMUIJESA-N -1 0 319.365 -0.376 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1ncc(F)cn1 ZINC001097976640 826443309 /nfs/dbraw/zinc/44/33/09/826443309.db2.gz NHCGGSXZCURFEU-LURJTMIESA-N -1 0 311.277 -0.765 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1nccnc1F ZINC001097976685 826444082 /nfs/dbraw/zinc/44/40/82/826444082.db2.gz OIZGSQDNWOTICR-ZCFIWIBFSA-N -1 0 311.277 -0.765 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)Nc1cnc(F)cn1 ZINC001098178241 826452957 /nfs/dbraw/zinc/45/29/57/826452957.db2.gz GNGDMAWNRKUSNH-ZETCQYMHSA-N -1 0 322.300 -0.355 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1nccnc1F ZINC001098436010 826482200 /nfs/dbraw/zinc/48/22/00/826482200.db2.gz VIOCONNTVRGJIN-YFKPBYRVSA-N -1 0 309.261 -0.558 20 0 DBADRM Cc1nnc([C@@H](C)NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001161864028 833060506 /nfs/dbraw/zinc/06/05/06/833060506.db2.gz VHAWSWSXGGXAAU-ZCFIWIBFSA-N -1 0 323.313 -0.555 20 0 DBADRM NC(=O)C(=O)NCC=CC[NH2+]Cc1nc(=O)c2sccc2[n-]1 ZINC001274325244 833062208 /nfs/dbraw/zinc/06/22/08/833062208.db2.gz LKXNMIWWOIPYLF-UPHRSURJSA-N -1 0 321.362 -0.356 20 0 DBADRM C[C@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1ncccn1 ZINC001099361726 826565215 /nfs/dbraw/zinc/56/52/15/826565215.db2.gz KIEPLNBWVQCJMK-MRVPVSSYSA-N -1 0 307.314 -0.514 20 0 DBADRM CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)[nH][n-]1 ZINC001274428222 833075235 /nfs/dbraw/zinc/07/52/35/833075235.db2.gz ASAZQVQKUKFOLK-AOOOYVTPSA-N -1 0 307.354 -0.508 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1C[C@H]2CN(Cc3cn[nH]c3)C[C@@H](C1)O2 ZINC001274428742 833075385 /nfs/dbraw/zinc/07/53/85/833075385.db2.gz OHHSWRSJULCMDT-PHIMTYICSA-N -1 0 318.337 -0.436 20 0 DBADRM CC(C)CCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099662597 826608558 /nfs/dbraw/zinc/60/85/58/826608558.db2.gz ATSDXGNGDYKPSA-GHMZBOCLSA-N -1 0 311.386 -0.002 20 0 DBADRM Cn1[nH]c(CNC/C=C\CNC(=O)c2nccs2)nc1=O ZINC001274465312 833081122 /nfs/dbraw/zinc/08/11/22/833081122.db2.gz VDSPDJKORCPETJ-IHWYPQMZSA-N -1 0 308.367 -0.359 20 0 DBADRM O=C(CCC1CC1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099753511 826651424 /nfs/dbraw/zinc/65/14/24/826651424.db2.gz VTFVMVGERRBPNB-WDEREUQCSA-N -1 0 309.370 -0.248 20 0 DBADRM CN1CCO[C@@]2(CCCN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C2)C1 ZINC001274501852 833087001 /nfs/dbraw/zinc/08/70/01/833087001.db2.gz KRPTVQNKKUSJBJ-AWEZNQCLSA-N -1 0 308.338 -1.000 20 0 DBADRM CC/C(C)=C/C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099818983 826686470 /nfs/dbraw/zinc/68/64/70/826686470.db2.gz QMSZIKDZAUMFCP-WHTZOINASA-N -1 0 309.370 -0.082 20 0 DBADRM O=C(CCCF)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099954502 826745503 /nfs/dbraw/zinc/74/55/03/826745503.db2.gz MZSGBCPFOGJSFJ-DTWKUNHWSA-N -1 0 301.322 -0.689 20 0 DBADRM Cc1nccc(N(C)CCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001100263307 826921673 /nfs/dbraw/zinc/92/16/73/826921673.db2.gz GYCDZXDOVFGLFD-UHFFFAOYSA-N -1 0 318.337 -0.549 20 0 DBADRM CC(C)(C)[C@H](NC(=O)CN1C(=O)CNC1=O)c1nc(=O)o[n-]1 ZINC001162936970 833124382 /nfs/dbraw/zinc/12/43/82/833124382.db2.gz WENHFRLWPIKXRQ-MRVPVSSYSA-N -1 0 311.298 -0.882 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1cnc(F)cn1 ZINC001100415685 826961512 /nfs/dbraw/zinc/96/15/12/826961512.db2.gz CKZNLWPDRHSLNR-UHFFFAOYSA-N -1 0 309.261 -0.922 20 0 DBADRM O=C([O-])c1ccc(NCc2cc(=O)n3c(n2)CNCCC3)nn1 ZINC001163115609 833134194 /nfs/dbraw/zinc/13/41/94/833134194.db2.gz HDVVJNPVEZBWAV-UHFFFAOYSA-N -1 0 316.321 -0.163 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ncc(F)cn1 ZINC001100765595 827017597 /nfs/dbraw/zinc/01/75/97/827017597.db2.gz POHFKPHEOKJJMC-UHFFFAOYSA-N -1 0 323.288 -0.532 20 0 DBADRM Cc1cc(NCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)nc(C)n1 ZINC001101719333 827140576 /nfs/dbraw/zinc/14/05/76/827140576.db2.gz QOZVLPBISRESKQ-UHFFFAOYSA-N -1 0 321.341 -0.333 20 0 DBADRM CN(CCNc1ncc(F)cn1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001101719310 827140914 /nfs/dbraw/zinc/14/09/14/827140914.db2.gz PLAUMXIFXMXTRC-UHFFFAOYSA-N -1 0 311.277 -0.811 20 0 DBADRM Cc1ccnc(NCCN(C)C(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001101886961 827159181 /nfs/dbraw/zinc/15/91/81/827159181.db2.gz MFLLRXAPUDPQFT-UHFFFAOYSA-N -1 0 318.337 -0.232 20 0 DBADRM CN(CCNc1ncc(F)cn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001102050473 827181931 /nfs/dbraw/zinc/18/19/31/827181931.db2.gz QXCYGIVTQSKHBZ-UHFFFAOYSA-N -1 0 309.261 -0.604 20 0 DBADRM CN(CCNc1nccnc1F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001102050201 827182376 /nfs/dbraw/zinc/18/23/76/827182376.db2.gz AXMWVPMWKLNTOW-UHFFFAOYSA-N -1 0 309.261 -0.604 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1N[C@H]1SC(=O)[N-]C1=O ZINC001163662636 833161916 /nfs/dbraw/zinc/16/19/16/833161916.db2.gz QLRXNAWEQXYPAY-ZETCQYMHSA-N -1 0 302.337 -0.090 20 0 DBADRM NS(=O)(=O)Cc1ccc(N[C@@H]2SC(=O)[N-]C2=O)nc1 ZINC001163665764 833162082 /nfs/dbraw/zinc/16/20/82/833162082.db2.gz OOTKOMXTFOCRMO-MRVPVSSYSA-N -1 0 302.337 -0.409 20 0 DBADRM COc1cc(N[C@@H]2SC(=O)[N-]C2=O)nc([S@](C)=O)n1 ZINC001163662168 833162436 /nfs/dbraw/zinc/16/24/36/833162436.db2.gz KSSSJMOQJAELOS-XJZHNMMOSA-N -1 0 302.337 -0.056 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1cc(C)ncn1 ZINC001103158224 827269269 /nfs/dbraw/zinc/26/92/69/827269269.db2.gz AEHPTHBUDOJHTN-VIFPVBQESA-N -1 0 321.341 -0.205 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNc1nccnc1F ZINC001104272652 827335321 /nfs/dbraw/zinc/33/53/21/827335321.db2.gz HVPHZIBJWRGVKP-ZCFIWIBFSA-N -1 0 323.288 -0.310 20 0 DBADRM Cc1nccc(NC[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001104272429 827335556 /nfs/dbraw/zinc/33/55/56/827335556.db2.gz BTMRFDYQEANFSD-SSDOTTSWSA-N -1 0 319.325 -0.141 20 0 DBADRM Cc1ccc(NC[C@@H](C)N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001104643640 827364240 /nfs/dbraw/zinc/36/42/40/827364240.db2.gz AEVKPWFKQSJLSO-SECBINFHSA-N -1 0 321.341 -0.253 20 0 DBADRM CN(C)C(=O)C[C@H]1C[C@@H]2CN(C(=O)c3cc(=O)n(C)[n-]3)C[C@@H]2O1 ZINC001275609803 833193779 /nfs/dbraw/zinc/19/37/79/833193779.db2.gz CTUXGLPAKZZZAJ-FOGDFJRCSA-N -1 0 322.365 -0.167 20 0 DBADRM Cc1ccc(NC[C@@H](C)N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001104881459 827376771 /nfs/dbraw/zinc/37/67/71/827376771.db2.gz OMSZOQWAPKFKAW-MRVPVSSYSA-N -1 0 319.325 -0.046 20 0 DBADRM Cc1cc(NC[C@H](C)N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001104881942 827376890 /nfs/dbraw/zinc/37/68/90/827376890.db2.gz WUUSCPJLKINQOB-QMMMGPOBSA-N -1 0 319.325 -0.046 20 0 DBADRM CN(C)C(=O)c1n[nH]c2c1CN(C(=O)c1cc(=O)n(C)[n-]1)CC2 ZINC001275609805 833193903 /nfs/dbraw/zinc/19/39/03/833193903.db2.gz CUFKAOMFPWYPRN-UHFFFAOYSA-N -1 0 318.337 -0.251 20 0 DBADRM CON(C)CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001163999737 833189386 /nfs/dbraw/zinc/18/93/86/833189386.db2.gz IORQKMWITMUQAW-UHFFFAOYSA-N -1 0 303.340 -0.737 20 0 DBADRM CC[C@]1(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001275583983 833192949 /nfs/dbraw/zinc/19/29/49/833192949.db2.gz YWMANJNJFOVLCO-XPTSAGLGSA-N -1 0 324.385 -0.637 20 0 DBADRM Cc1ccc(N(C)CCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001105613128 827460556 /nfs/dbraw/zinc/46/05/56/827460556.db2.gz CGTHHGSRXJUJFX-UHFFFAOYSA-N -1 0 319.325 -0.410 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCc1cc(=O)n2ccccc2n1 ZINC001164405357 833207037 /nfs/dbraw/zinc/20/70/37/833207037.db2.gz TULHGRUBOJWKEJ-UHFFFAOYSA-N -1 0 313.321 -0.153 20 0 DBADRM Cc1nsc(NC[C@H](O)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001105819586 827521885 /nfs/dbraw/zinc/52/18/85/827521885.db2.gz GMRFYWNWKDUVFT-SSDOTTSWSA-N -1 0 312.355 -0.214 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNc2cnc(F)cn2)c1[O-] ZINC001105819674 827522293 /nfs/dbraw/zinc/52/22/93/827522293.db2.gz INWRYNIDBVQEKG-SSDOTTSWSA-N -1 0 310.289 -0.444 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001275820441 833212435 /nfs/dbraw/zinc/21/24/35/833212435.db2.gz IUAGUFVQZDQRHV-RTHLEPHNSA-N -1 0 306.322 -0.819 20 0 DBADRM NC(=O)C1=NO[C@@H]2CN(C(=O)c3cc(Cl)ncc3[O-])C[C@H]12 ZINC001275835469 833212666 /nfs/dbraw/zinc/21/26/66/833212666.db2.gz RSIYZVDNFCUTLR-POYBYMJQSA-N -1 0 310.697 -0.247 20 0 DBADRM C[C@H](CCNc1cc(F)ncn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001106644223 827667547 /nfs/dbraw/zinc/66/75/47/827667547.db2.gz MIJBFQDCROLJIK-ZCFIWIBFSA-N -1 0 323.288 -0.168 20 0 DBADRM CCN(CCNc1ccc(C)nn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001107000758 827691763 /nfs/dbraw/zinc/69/17/63/827691763.db2.gz PNLIYTCBLQIFKV-UHFFFAOYSA-N -1 0 319.325 -0.045 20 0 DBADRM O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276018459 833235783 /nfs/dbraw/zinc/23/57/83/833235783.db2.gz DQKLNZPWFIEDNY-FUXBKTLASA-N -1 0 302.294 -0.061 20 0 DBADRM CN(C)C(=O)[C@@H]1CCN(C(=O)c2cc(=O)[nH][n-]2)Cc2ccnn21 ZINC001276024642 833236548 /nfs/dbraw/zinc/23/65/48/833236548.db2.gz CHYFMAVXFHWMCS-NSHDSACASA-N -1 0 318.337 -0.013 20 0 DBADRM NC(=O)C1=NO[C@@H]2CN(C(=O)c3cc(F)cc(F)c3[O-])C[C@H]12 ZINC001276035466 833237605 /nfs/dbraw/zinc/23/76/05/833237605.db2.gz HWCMEVUMMIGPAK-IONNQARKSA-N -1 0 311.244 -0.018 20 0 DBADRM O=C(NCC=CCNc1ncccn1)c1n[nH]c(=O)[n-]c1=O ZINC001107604882 827756336 /nfs/dbraw/zinc/75/63/36/827756336.db2.gz MNQSJVAQHVLXSD-UPHRSURJSA-N -1 0 303.282 -0.529 20 0 DBADRM CSCC(=O)NC[C@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107718885 827777557 /nfs/dbraw/zinc/77/75/57/827777557.db2.gz RTAYSPAZJPHBNG-GFCCVEGCSA-N -1 0 315.399 -0.420 20 0 DBADRM C[C@H](CNc1cccc(F)n1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001107874490 827819807 /nfs/dbraw/zinc/81/98/07/827819807.db2.gz FJLZZWNTPLHDGZ-SSDOTTSWSA-N -1 0 310.289 -0.160 20 0 DBADRM C[C@]1(CNC(=O)c2cc[nH]c2)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107963642 827851157 /nfs/dbraw/zinc/85/11/57/827851157.db2.gz VSOBLTHBDCNNTC-AWEZNQCLSA-N -1 0 320.353 -0.141 20 0 DBADRM Cc1cc(NC[C@@H](C)NC(=O)c2cnc([O-])n(C)c2=O)ncn1 ZINC001108052451 827882001 /nfs/dbraw/zinc/88/20/01/827882001.db2.gz DHUKAIPSTVTPQF-SECBINFHSA-N -1 0 318.337 -0.185 20 0 DBADRM Cc1nsc(NC[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001108208521 827920722 /nfs/dbraw/zinc/92/07/22/827920722.db2.gz KOPDKKPBNXHPFK-SCSAIBSYSA-N -1 0 311.327 -0.327 20 0 DBADRM Cc1ccc(NC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001108466102 827980206 /nfs/dbraw/zinc/98/02/06/827980206.db2.gz MSWDKKJTIIATOG-QMMMGPOBSA-N -1 0 307.314 -0.595 20 0 DBADRM COc1ccnc(NC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001108466181 827980299 /nfs/dbraw/zinc/98/02/99/827980299.db2.gz QVDDLEMMSFGQJD-ZETCQYMHSA-N -1 0 323.313 -0.895 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2CC(OC(C)=O)C2)nc1 ZINC001166640286 833276715 /nfs/dbraw/zinc/27/67/15/833276715.db2.gz IXNRCYGSBJWDFI-UHFFFAOYSA-N -1 0 313.335 -0.342 20 0 DBADRM Cc1ncc(C)c(NC[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001108781764 828047003 /nfs/dbraw/zinc/04/70/03/828047003.db2.gz AUTHJKQXCNOLQF-ZETCQYMHSA-N -1 0 319.325 -0.080 20 0 DBADRM Cc1cc(NC[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)nc(C)n1 ZINC001108782186 828047284 /nfs/dbraw/zinc/04/72/84/828047284.db2.gz OZVGXCDOUNPRDS-ZETCQYMHSA-N -1 0 319.325 -0.080 20 0 DBADRM COc1ccnc(NC[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001108782343 828047762 /nfs/dbraw/zinc/04/77/62/828047762.db2.gz SIRMRURDUKVWFK-LURJTMIESA-N -1 0 321.297 -0.688 20 0 DBADRM Cc1cc(C)nc(NC[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001108782175 828047824 /nfs/dbraw/zinc/04/78/24/828047824.db2.gz OKZMKOVGDMNTOH-QMMMGPOBSA-N -1 0 319.325 -0.080 20 0 DBADRM Cc1ccc(N(C)C[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001109044009 828081129 /nfs/dbraw/zinc/08/11/29/828081129.db2.gz KEIVJYUHFWULPU-SECBINFHSA-N -1 0 321.341 -0.571 20 0 DBADRM Cc1cc(N(C)C[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001109044033 828081301 /nfs/dbraw/zinc/08/13/01/828081301.db2.gz KXNDBBRAHHYRJL-SECBINFHSA-N -1 0 321.341 -0.571 20 0 DBADRM Cc1cc(N(C)C[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001109044034 828081600 /nfs/dbraw/zinc/08/16/00/828081600.db2.gz KXNDBBRAHHYRJL-VIFPVBQESA-N -1 0 321.341 -0.571 20 0 DBADRM Cc1nccc(NCCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001109495409 828119442 /nfs/dbraw/zinc/11/94/42/828119442.db2.gz TUXRGVURIHKVJW-UHFFFAOYSA-N -1 0 321.341 -0.252 20 0 DBADRM CN(CCCNc1ncccn1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001109495505 828119830 /nfs/dbraw/zinc/11/98/30/828119830.db2.gz XHZPAOWZPVGEBX-UHFFFAOYSA-N -1 0 307.314 -0.560 20 0 DBADRM CC(=O)Nc1cccnc1C(=O)[N-]N1C(=O)[C@@H](C)N(C)C1=O ZINC001167404756 833297508 /nfs/dbraw/zinc/29/75/08/833297508.db2.gz GBECYEVWLMSCSK-SSDOTTSWSA-N -1 0 305.294 -0.033 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2cn(-c3cccnc3)nn2)C(=O)N1C ZINC001167404914 833297557 /nfs/dbraw/zinc/29/75/57/833297557.db2.gz JYXTUBILTBNWMX-QMMMGPOBSA-N -1 0 315.293 -0.410 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)nc1 ZINC001167405814 833297606 /nfs/dbraw/zinc/29/76/06/833297606.db2.gz WRFDVJPRNFLALW-ZETCQYMHSA-N -1 0 306.278 -0.205 20 0 DBADRM Cn1cnnc1[C@@H](CO)NC(=O)c1n[n-]c2ccccc2c1=O ZINC001167481161 833300015 /nfs/dbraw/zinc/30/00/15/833300015.db2.gz HFGLTNFOPQZHCJ-SNVBAGLBSA-N -1 0 314.305 -0.073 20 0 DBADRM Cn1cnnc1[C@H](CO)NC(=O)c1n[n-]c2ccccc2c1=O ZINC001167481160 833300125 /nfs/dbraw/zinc/30/01/25/833300125.db2.gz HFGLTNFOPQZHCJ-JTQLQIEISA-N -1 0 314.305 -0.073 20 0 DBADRM O=C1[N-]OC[C@H]1Nc1ccc(OCCN2CCOCC2)nc1 ZINC001167523001 833302423 /nfs/dbraw/zinc/30/24/23/833302423.db2.gz VCHVNIIYCCOJDD-GFCCVEGCSA-N -1 0 308.338 -0.366 20 0 DBADRM CC(C)(C(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110694984 828193616 /nfs/dbraw/zinc/19/36/16/828193616.db2.gz WIOKDZYIKSFZMU-HLTSFMKQSA-N -1 0 322.369 -0.757 20 0 DBADRM C[C@H]1[C@H](Nc2cc3nccnc3cn2)C(=O)N1S(=O)(=O)[O-] ZINC001167857627 833311592 /nfs/dbraw/zinc/31/15/92/833311592.db2.gz GTIYLTPGRZRQOJ-WKEGUHRASA-N -1 0 309.307 -0.161 20 0 DBADRM COc1c(Cl)ncnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167858321 833311612 /nfs/dbraw/zinc/31/16/12/833311612.db2.gz NUNDWMPXKDPSIK-WHFBIAKZSA-N -1 0 322.730 -0.047 20 0 DBADRM CCOc1cc(C)nc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001167858353 833311715 /nfs/dbraw/zinc/31/17/15/833311715.db2.gz NZTKWNQVLJKVRG-CBAPKCEASA-N -1 0 316.339 -0.002 20 0 DBADRM Cc1c(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cncc1C(N)=O ZINC001167862030 833311879 /nfs/dbraw/zinc/31/18/79/833311879.db2.gz XUMZOPDYBDNVTF-RCOVLWMOSA-N -1 0 314.323 -0.697 20 0 DBADRM COc1cc(Cl)nnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167859207 833311911 /nfs/dbraw/zinc/31/19/11/833311911.db2.gz VWGOPUBWDOWYNF-FFWSUHOLSA-N -1 0 322.730 -0.047 20 0 DBADRM C[C@H]1[C@H](Nc2ccnc(N(C)C)n2)C(=O)N1S(=O)(=O)[O-] ZINC001167859022 833311942 /nfs/dbraw/zinc/31/19/42/833311942.db2.gz UBYQSOBVZPEZBE-XPUUQOCRSA-N -1 0 301.328 -0.643 20 0 DBADRM C[C@H]1[C@H](Nc2cc(F)c(=O)n(C)c2)C(=O)N1S(=O)(=O)[O-] ZINC001167861237 833311974 /nfs/dbraw/zinc/31/19/74/833311974.db2.gz HVZYXMXAGWFHND-XNCJUZBTSA-N -1 0 305.287 -0.662 20 0 DBADRM COc1ncc(OC)c(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001167858684 833311987 /nfs/dbraw/zinc/31/19/87/833311987.db2.gz RHBIKLFANDNIMM-FSPLSTOPSA-N -1 0 318.311 -0.692 20 0 DBADRM Cc1nc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc2nc[nH]c21 ZINC001167858859 833312035 /nfs/dbraw/zinc/31/20/35/833312035.db2.gz TUUQZXCOZLHSRM-FSPLSTOPSA-N -1 0 312.311 -0.573 20 0 DBADRM C[C@H]1[C@H](Nc2cnc3c(ccn3C)n2)C(=O)N1S(=O)(=O)[O-] ZINC001167859901 833312050 /nfs/dbraw/zinc/31/20/50/833312050.db2.gz WKTWSZGTKVJVEY-RCOVLWMOSA-N -1 0 311.323 -0.218 20 0 DBADRM C[C@H]1[C@H](Nc2ncnc3c2COC3)C(=O)N1S(=O)(=O)[O-] ZINC001167859562 833312099 /nfs/dbraw/zinc/31/20/99/833312099.db2.gz YUOXOWZFEZLJEO-XNCJUZBTSA-N -1 0 300.296 -0.679 20 0 DBADRM Cc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cn(C)c1=O ZINC001167862193 833312425 /nfs/dbraw/zinc/31/24/25/833312425.db2.gz QTEYYPRWHKQWRK-CBAPKCEASA-N -1 0 301.324 -0.492 20 0 DBADRM C[C@H]1[C@H](Nc2cnc([S@](C)=O)nc2)C(=O)N1S(=O)(=O)[O-] ZINC001167862499 833312501 /nfs/dbraw/zinc/31/25/01/833312501.db2.gz WMTWGRMMCYVLNX-DOKIEFESSA-N -1 0 320.352 -0.972 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNc2nccnc2F)c1[O-] ZINC001111457373 828272407 /nfs/dbraw/zinc/27/24/07/828272407.db2.gz VNPKBRQSCMBYMH-UHFFFAOYSA-N -1 0 324.316 -0.101 20 0 DBADRM CS(=O)(=O)N1CC(Nc2cccc(S(=O)(=O)[O-])n2)C1 ZINC001168219871 833319488 /nfs/dbraw/zinc/31/94/88/833319488.db2.gz NNVLRKROMGLQJN-UHFFFAOYSA-N -1 0 307.353 -0.616 20 0 DBADRM O=C(NCC1(Nc2ncccn2)CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001111928191 828323224 /nfs/dbraw/zinc/32/32/24/828323224.db2.gz JXYPPHKHERBEMO-UHFFFAOYSA-N -1 0 317.309 -0.163 20 0 DBADRM Cc1ccnc(N[C@H](C)CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001115801713 828865563 /nfs/dbraw/zinc/86/55/63/828865563.db2.gz NZMWBPYSSMCYIY-SECBINFHSA-N -1 0 321.341 -0.253 20 0 DBADRM Cc1cc(N[C@H](C)CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001115802381 828865864 /nfs/dbraw/zinc/86/58/64/828865864.db2.gz ZAVYBBODLZMLAU-SECBINFHSA-N -1 0 321.341 -0.253 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@H](c3nnn[n-]3)C2)no1 ZINC001116028764 828872864 /nfs/dbraw/zinc/87/28/64/828872864.db2.gz PZCBKEGMPRURSA-ZETCQYMHSA-N -1 0 307.270 -0.965 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)C1CCN(C(C)=O)CC1 ZINC001116041804 828873210 /nfs/dbraw/zinc/87/32/10/828873210.db2.gz PAAGREULBXVHOD-UHFFFAOYSA-N -1 0 306.384 -0.273 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1 ZINC001116103749 828877442 /nfs/dbraw/zinc/87/74/42/828877442.db2.gz NDAAUYJSZQYFAA-UHFFFAOYSA-N -1 0 304.266 -0.759 20 0 DBADRM O=C(CCn1cnc2sccc2c1=O)NCc1nc(=O)o[n-]1 ZINC001116367733 828890852 /nfs/dbraw/zinc/89/08/52/828890852.db2.gz PTJKBJHOOVCNPN-UHFFFAOYSA-N -1 0 321.318 -0.159 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)CCC1 ZINC001116409322 828893785 /nfs/dbraw/zinc/89/37/85/828893785.db2.gz YFROXNNWTXUZAL-VIFPVBQESA-N -1 0 304.368 -0.615 20 0 DBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)[N-]n1ccc(=O)[nH]c1=O ZINC001168868490 833329898 /nfs/dbraw/zinc/32/98/98/833329898.db2.gz DVWIKOWZMVMMJY-UHFFFAOYSA-N -1 0 315.293 -0.440 20 0 DBADRM NC(=O)NCCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC001116520428 828899661 /nfs/dbraw/zinc/89/96/61/828899661.db2.gz IJTONEAGZWFCIJ-SECBINFHSA-N -1 0 307.372 -0.550 20 0 DBADRM CC1(Cn2cc(C(=O)NCCCc3n[nH]c(=O)[n-]3)nn2)COC1 ZINC001116599262 828902893 /nfs/dbraw/zinc/90/28/93/828902893.db2.gz PKXZRJKZPQUPLX-UHFFFAOYSA-N -1 0 321.341 -0.499 20 0 DBADRM C[C@@]1(C2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)NC(=O)NC1=O ZINC001116614552 828903700 /nfs/dbraw/zinc/90/37/00/828903700.db2.gz JIHNJSYEOSYEIC-ZDUSSCGKSA-N -1 0 309.322 -0.312 20 0 DBADRM CNC(=O)c1cncc(/C=C\C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001116625684 828904475 /nfs/dbraw/zinc/90/44/75/828904475.db2.gz NVPSRVMPSOPXSO-VQTKUKTRSA-N -1 0 307.306 -0.594 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC001116684628 828907645 /nfs/dbraw/zinc/90/76/45/828907645.db2.gz IAPSJOYNCLAQIF-DTWKUNHWSA-N -1 0 311.381 -0.630 20 0 DBADRM COc1cc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)ccc1F ZINC001116714106 828908786 /nfs/dbraw/zinc/90/87/86/828908786.db2.gz YVXZQLNGCXWZMV-UHFFFAOYSA-N -1 0 309.257 -0.087 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC001116716845 828908790 /nfs/dbraw/zinc/90/87/90/828908790.db2.gz AVGSDIOJGPDYPK-SECBINFHSA-N -1 0 305.290 -0.492 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC001116735097 828910558 /nfs/dbraw/zinc/91/05/58/828910558.db2.gz LIQKLIOLFPVZER-JTQLQIEISA-N -1 0 319.317 -0.102 20 0 DBADRM O=C(Cn1c(=O)oc2ccccc21)NCCc1nc(=O)o[n-]1 ZINC001116844033 828915748 /nfs/dbraw/zinc/91/57/48/828915748.db2.gz LHNJDFTWPHBHAE-UHFFFAOYSA-N -1 0 304.262 -0.370 20 0 DBADRM Cc1nn(C)c(Br)c1C(=O)[N-]N1CC(=O)NC1=O ZINC001116930323 828920591 /nfs/dbraw/zinc/92/05/91/828920591.db2.gz VRCAUFCFAIEVNK-UHFFFAOYSA-N -1 0 316.115 -0.312 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)NCCCN1CCCC1=O ZINC001116970867 828926992 /nfs/dbraw/zinc/92/69/92/828926992.db2.gz LXQBSMIUFSEGDQ-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](Nc2ccc(-n3[n-]c(C)cc3=O)nn2)CN1 ZINC001169130143 833335569 /nfs/dbraw/zinc/33/55/69/833335569.db2.gz OUGSABXUBYIPIR-ZJUUUORDSA-N -1 0 318.337 -0.095 20 0 DBADRM Cc1cc(=O)n(-c2ccc(NC[C@H]3CNC(=O)CO3)nn2)[n-]1 ZINC001169274274 833337048 /nfs/dbraw/zinc/33/70/48/833337048.db2.gz JUWGBPDPLJIARE-VIFPVBQESA-N -1 0 304.310 -0.484 20 0 DBADRM O=C1[N-]S(=O)(=O)c2cc(NC[C@@H]3CNC(=O)CO3)ccc21 ZINC001169278374 833337271 /nfs/dbraw/zinc/33/72/71/833337271.db2.gz UMUCIUBQPCCCMU-MRVPVSSYSA-N -1 0 311.319 -0.954 20 0 DBADRM O=C1[N-]S(=O)(=O)c2cc(NC[C@H]3CNC(=O)CO3)ccc21 ZINC001169278431 833337337 /nfs/dbraw/zinc/33/73/37/833337337.db2.gz UMUCIUBQPCCCMU-QMMMGPOBSA-N -1 0 311.319 -0.954 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001117149365 828948449 /nfs/dbraw/zinc/94/84/49/828948449.db2.gz RFGFTXXAGBJYMZ-SNVBAGLBSA-N -1 0 321.399 -0.770 20 0 DBADRM CCc1nncn1CCNC(=O)C(=O)[N-]OCCSC ZINC001117460977 828981153 /nfs/dbraw/zinc/98/11/53/828981153.db2.gz MJGQWDOOTPSUMD-UHFFFAOYSA-N -1 0 301.372 -0.633 20 0 DBADRM CN(C)c1cccc(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)n1 ZINC001117540547 828989953 /nfs/dbraw/zinc/98/99/53/828989953.db2.gz CBWOMQLINPFPHY-LLVKDONJSA-N -1 0 322.365 -0.152 20 0 DBADRM NC(=O)CCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC001117641357 829002711 /nfs/dbraw/zinc/00/27/11/829002711.db2.gz UIYTWMHPJSPCRP-SNVBAGLBSA-N -1 0 306.384 -0.095 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)NCCCc1n[nH]c(=O)[n-]1)CC2 ZINC001117638943 829002925 /nfs/dbraw/zinc/00/29/25/829002925.db2.gz ZUDDGQOCGKPBQT-MRVPVSSYSA-N -1 0 305.342 -0.507 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC001117699813 829008659 /nfs/dbraw/zinc/00/86/59/829008659.db2.gz LLXGVADQKJYEPT-UHFFFAOYSA-N -1 0 312.229 -0.367 20 0 DBADRM C[C@H](C(=O)[N-]OCC(C)(C)O)S(=O)(=O)C1CCOCC1 ZINC001117759132 829014055 /nfs/dbraw/zinc/01/40/55/829014055.db2.gz KHQNLPUNIWBTGA-SECBINFHSA-N -1 0 309.384 -0.213 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(c3ccc4nncn4n3)C2)nn1 ZINC001118222140 829052507 /nfs/dbraw/zinc/05/25/07/829052507.db2.gz QCLWBDMYZVMLKJ-MRVPVSSYSA-N -1 0 300.282 -0.135 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)n(C)n1 ZINC001118241970 829054581 /nfs/dbraw/zinc/05/45/81/829054581.db2.gz TWPDDUIEFNZBPA-SNVBAGLBSA-N -1 0 320.309 -0.657 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1nc(COC)cs1 ZINC001118246993 829056247 /nfs/dbraw/zinc/05/62/47/829056247.db2.gz WRXIZNLAUIFLHT-UHFFFAOYSA-N -1 0 316.339 -0.588 20 0 DBADRM O=C([O-])c1ccc(N2C(=O)C[C@H](N3C[C@@H](O)[C@@H](O)C3)C2=O)cc1 ZINC001118278101 829061417 /nfs/dbraw/zinc/06/14/17/829061417.db2.gz SGFGZFONBZMOIB-SDDRHHMPSA-N -1 0 320.301 -0.946 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCOc1ccccc1C ZINC001118281831 829062601 /nfs/dbraw/zinc/06/26/01/829062601.db2.gz CMFHVHGMAXUCBJ-UHFFFAOYSA-N -1 0 323.349 -0.326 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC(C)(C)c1ccncc1 ZINC001118284753 829062736 /nfs/dbraw/zinc/06/27/36/829062736.db2.gz ISISFEWCDWMPBN-UHFFFAOYSA-N -1 0 322.365 -0.341 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)[C@@](C)(OC)C1CC1 ZINC001118297109 829064479 /nfs/dbraw/zinc/06/44/79/829064479.db2.gz KFUBNKWDZVNSEF-LKFCYVNXSA-N -1 0 315.370 -0.510 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(C(F)F)CC1 ZINC001118300791 829065812 /nfs/dbraw/zinc/06/58/12/829065812.db2.gz BSDGKPOWXSJEMY-UHFFFAOYSA-N -1 0 307.297 -0.326 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCc2ccccc2NC1=O ZINC001118347446 829073118 /nfs/dbraw/zinc/07/31/18/829073118.db2.gz UIEKGOBVVBFJOR-GFCCVEGCSA-N -1 0 321.333 -0.250 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cccc2c1OCO2 ZINC001118347934 829073579 /nfs/dbraw/zinc/07/35/79/829073579.db2.gz GBEQGXKIRVCVOP-UHFFFAOYSA-N -1 0 323.305 -0.785 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC001118352995 829074129 /nfs/dbraw/zinc/07/41/29/829074129.db2.gz ATDXYZQQZMRFMD-VIFPVBQESA-N -1 0 315.370 -0.367 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](C)OC2(CCC2)C1 ZINC001118366178 829076986 /nfs/dbraw/zinc/07/69/86/829076986.db2.gz SBPUUVQBBSCADY-JTQLQIEISA-N -1 0 313.354 -0.660 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cccc1C(N)=O ZINC001118389617 829078230 /nfs/dbraw/zinc/07/82/30/829078230.db2.gz NHVVFTDEGILCEJ-ZETCQYMHSA-N -1 0 307.306 -0.131 20 0 DBADRM COC(=O)N1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC001118389067 829078274 /nfs/dbraw/zinc/07/82/74/829078274.db2.gz IXWDIGYISRPYAP-VIFPVBQESA-N -1 0 315.326 -0.876 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)Nc2nc3n(n2)CCCC3)CCC1 ZINC001118480921 829090103 /nfs/dbraw/zinc/09/01/03/829090103.db2.gz TVZPNEBNBGGXAK-UHFFFAOYSA-N -1 0 321.337 -0.076 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CC[C@@H](CO)C2)n1 ZINC001118542540 829102524 /nfs/dbraw/zinc/10/25/24/829102524.db2.gz PQLWQRFJIQQMAW-SECBINFHSA-N -1 0 324.337 -0.518 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@](C)(CCF)C(=O)[O-] ZINC001118546841 829103230 /nfs/dbraw/zinc/10/32/30/829103230.db2.gz VCGGTWXESATAFH-ZDUSSCGKSA-N -1 0 319.333 -0.662 20 0 DBADRM COC(=O)CNC(=O)CNc1ccc(-n2[n-]c(C)cc2=O)nn1 ZINC001170947647 833362706 /nfs/dbraw/zinc/36/27/06/833362706.db2.gz WRVWNEOINFOGJG-UHFFFAOYSA-N -1 0 320.309 -0.710 20 0 DBADRM COC(=O)CNC(=O)CNc1cccc(S(=O)(=O)[O-])c1 ZINC001170949498 833362857 /nfs/dbraw/zinc/36/28/57/833362857.db2.gz FPUHWTFALLTVJF-UHFFFAOYSA-N -1 0 302.308 -0.366 20 0 DBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC001118757060 829130035 /nfs/dbraw/zinc/13/00/35/829130035.db2.gz DQFOAQZKTKEVCD-GHMZBOCLSA-N -1 0 313.354 -0.388 20 0 DBADRM CN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(C)(C)CC(=O)[O-] ZINC001118807462 829134795 /nfs/dbraw/zinc/13/47/95/829134795.db2.gz JLKGMAIQWUVMMJ-VOTSOKGWSA-N -1 0 323.349 -0.191 20 0 DBADRM COCCCOCCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001118818884 829135583 /nfs/dbraw/zinc/13/55/83/829135583.db2.gz UTDFHPCAEZFFFW-UHFFFAOYSA-N -1 0 306.344 -0.410 20 0 DBADRM CC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001119337448 829249536 /nfs/dbraw/zinc/24/95/36/829249536.db2.gz KJGOPGNCKIMGPN-PHIMTYICSA-N -1 0 311.382 -0.092 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[C@H](C2CC2)O1 ZINC001119398483 829257685 /nfs/dbraw/zinc/25/76/85/829257685.db2.gz WWZXIRIYONXVRQ-PDEGPIFNSA-N -1 0 310.350 -0.008 20 0 DBADRM O=C([O-])CSCCNC(=O)[C@@H]1COCCN1CC(F)F ZINC001119577439 829277795 /nfs/dbraw/zinc/27/77/95/829277795.db2.gz IWFBCVKUBNBLEG-QMMMGPOBSA-N -1 0 312.338 -0.114 20 0 DBADRM COCCOCCN1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1 ZINC001119602332 829280650 /nfs/dbraw/zinc/28/06/50/829280650.db2.gz MSZRWJOUTWKHIK-DOMZBBRYSA-N -1 0 314.382 -0.096 20 0 DBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(O)cc1 ZINC001175041993 833387088 /nfs/dbraw/zinc/38/70/88/833387088.db2.gz MQNGLNJEYFDPHT-UHFFFAOYSA-N -1 0 313.295 -0.597 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCCN(C)c1ccccc1 ZINC001119739960 829299185 /nfs/dbraw/zinc/29/91/85/829299185.db2.gz CIPSRZFMQHCAMR-UHFFFAOYSA-N -1 0 322.365 -0.577 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@H](SC)C1 ZINC001119848636 829313360 /nfs/dbraw/zinc/31/33/60/829313360.db2.gz QEJKZLYIIMWSHD-VIFPVBQESA-N -1 0 303.384 -0.476 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1Cc2ccc(Cl)cc2C1 ZINC001119924511 829323792 /nfs/dbraw/zinc/32/37/92/829323792.db2.gz BFDUSXIJQZOYIK-UHFFFAOYSA-N -1 0 311.725 -0.024 20 0 DBADRM O=C([O-])Cn1cc(Nc2ncnc3c2ncn3CCO)cn1 ZINC001176264369 833402763 /nfs/dbraw/zinc/40/27/63/833402763.db2.gz BTQMGOUBLVDNEU-UHFFFAOYSA-N -1 0 303.282 -0.157 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ncccn1 ZINC001120928878 829411690 /nfs/dbraw/zinc/41/16/90/829411690.db2.gz QURZVINRMZUSIX-ZETCQYMHSA-N -1 0 305.298 -0.355 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)Nc2cnc(F)cn2)c1[O-] ZINC001121456320 829484531 /nfs/dbraw/zinc/48/45/31/829484531.db2.gz WGNMOIYYSBYAOI-SSDOTTSWSA-N -1 0 310.289 -0.444 20 0 DBADRM C[C@@H]1CC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C[C@@H](C)O1 ZINC001121899714 829526212 /nfs/dbraw/zinc/52/62/12/829526212.db2.gz FHQCUJJCPJHEGS-NXEZZACHSA-N -1 0 313.354 -0.119 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C[C@H](C)O1 ZINC001121899713 829526259 /nfs/dbraw/zinc/52/62/59/829526259.db2.gz FHQCUJJCPJHEGS-JGPRNRPPSA-N -1 0 313.354 -0.119 20 0 DBADRM CC[C@@H]1CN(C(=O)NCCOCCOCC(=O)[O-])CCO1 ZINC001121920373 829528144 /nfs/dbraw/zinc/52/81/44/829528144.db2.gz IDRCULDVBDKKFQ-LLVKDONJSA-N -1 0 304.343 -0.075 20 0 DBADRM CN1CCN(c2ncccc2NC(=O)Cc2nnn[n-]2)CC1 ZINC001176837878 833421503 /nfs/dbraw/zinc/42/15/03/833421503.db2.gz LPWZZVANKAWDQM-UHFFFAOYSA-N -1 0 302.342 -0.472 20 0 DBADRM O=C(Cc1nnn[n-]1)Nc1ncnc2c1ncn2[C@H]1CCCO1 ZINC001176837973 833422171 /nfs/dbraw/zinc/42/21/71/833422171.db2.gz NZGUKHNDUKZUHZ-SECBINFHSA-N -1 0 315.297 -0.170 20 0 DBADRM CCOC(=O)c1c2c(nn1C)CN(C(=O)Cc1nnn[n-]1)C2 ZINC001176842453 833422846 /nfs/dbraw/zinc/42/28/46/833422846.db2.gz IPHKJZSWLQPXBI-UHFFFAOYSA-N -1 0 305.298 -0.805 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001176840892 833423260 /nfs/dbraw/zinc/42/32/60/833423260.db2.gz YDGNUFJLSLPCEE-MISXGVKJSA-N -1 0 307.354 -0.073 20 0 DBADRM CNS(=O)(=O)CCc1ccc(NC(=O)Cc2nnn[n-]2)cc1 ZINC001176842073 833423286 /nfs/dbraw/zinc/42/32/86/833423286.db2.gz BFMVWMQKWPVIGY-UHFFFAOYSA-N -1 0 324.366 -0.527 20 0 DBADRM COc1cc(N2CCN(C(=O)Cc3nnn[n-]3)CC2)ccn1 ZINC001176842335 833423438 /nfs/dbraw/zinc/42/34/38/833423438.db2.gz HZFWRBNVIRCKRP-UHFFFAOYSA-N -1 0 303.326 -0.505 20 0 DBADRM CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)Cc1nnn[n-]1)C2 ZINC001176840645 833423643 /nfs/dbraw/zinc/42/36/43/833423643.db2.gz VEBLVMSULBCAHW-NOZJJQNGSA-N -1 0 309.326 -0.687 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)N[C@@H]3CNOC3)cc2[n-]c1=S ZINC001122307941 829568902 /nfs/dbraw/zinc/56/89/02/829568902.db2.gz CBAVTWNQKVUHQB-MRVPVSSYSA-N -1 0 306.347 -0.145 20 0 DBADRM CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)Cc1nnn[n-]1 ZINC001176846962 833424436 /nfs/dbraw/zinc/42/44/36/833424436.db2.gz CFTICXIVBMZNGX-SNVBAGLBSA-N -1 0 304.310 -0.572 20 0 DBADRM O=C(Cc1nnn[n-]1)NCC1CCN(c2cnccn2)CC1 ZINC001176847391 833424567 /nfs/dbraw/zinc/42/45/67/833424567.db2.gz VBUYDBXHGBDFKN-UHFFFAOYSA-N -1 0 302.342 -0.435 20 0 DBADRM O=C(Cc1ccc(-n2cnnn2)cc1)NCc1n[nH]c(=O)[n-]1 ZINC001176869505 833428283 /nfs/dbraw/zinc/42/82/83/833428283.db2.gz ONNVXYREKAFKGY-UHFFFAOYSA-N -1 0 300.282 -0.655 20 0 DBADRM O=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H]1SC(=O)[N-]C1=O ZINC001176868397 833428413 /nfs/dbraw/zinc/42/84/13/833428413.db2.gz LUYQUFSPSMBAOI-LLVKDONJSA-N -1 0 318.318 -0.370 20 0 DBADRM Cn1nc(C(=O)[N-]N2CC(=O)N(C)C2=O)cc1C(F)(F)F ZINC001123775638 829677860 /nfs/dbraw/zinc/67/78/60/829677860.db2.gz ACFRZWVIQBZUKP-UHFFFAOYSA-N -1 0 305.216 -0.022 20 0 DBADRM CN1C[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)[O-])CC1=O ZINC001180176616 833571787 /nfs/dbraw/zinc/57/17/87/833571787.db2.gz IZELRQSGFNBYQI-RXMQYKEDSA-N -1 0 300.208 -0.064 20 0 DBADRM CN1C[C@@H]2CN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])C[C@@H]2C1=O ZINC001180172369 833571865 /nfs/dbraw/zinc/57/18/65/833571865.db2.gz VGPKWYSBFDGJDF-RITPCOANSA-N -1 0 312.219 -0.112 20 0 DBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)NCCCc1c[nH][nH]c1=O ZINC001180176212 833571966 /nfs/dbraw/zinc/57/19/66/833571966.db2.gz RFYSWAFQXYCRQZ-RXMQYKEDSA-N -1 0 313.207 -0.030 20 0 DBADRM O=C(CN1C[C@H](c2ccccc2)CC1=O)NCS(=O)(=O)[O-] ZINC001180311800 833580977 /nfs/dbraw/zinc/58/09/77/833580977.db2.gz FYXGCFWYRUDCGB-LLVKDONJSA-N -1 0 312.347 -0.036 20 0 DBADRM CCC(=O)NCc1cnn2c1CN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001128143115 830064710 /nfs/dbraw/zinc/06/47/10/830064710.db2.gz XYVUZIHBJUPEPA-UHFFFAOYSA-N -1 0 305.342 -0.251 20 0 DBADRM CC(C)(C)OC(=O)N1CCS[C@@H]1C(=O)N[C@@H]1CO[N-]C1=O ZINC001180737462 833600033 /nfs/dbraw/zinc/60/00/33/833600033.db2.gz URCVURVVKBSJNU-GMSGAONNSA-N -1 0 317.367 -0.157 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](C)N1CCCC1=O ZINC001181312981 833626592 /nfs/dbraw/zinc/62/65/92/833626592.db2.gz JEBCZZQPNACBDD-IUCAKERBSA-N -1 0 300.311 -0.480 20 0 DBADRM CCSCCC(=O)N1CC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 ZINC001181263109 833623932 /nfs/dbraw/zinc/62/39/32/833623932.db2.gz WZDJFGATZUZPAT-SNVBAGLBSA-N -1 0 313.427 -0.058 20 0 DBADRM Cc1cnc(CNCCNC(=O)CCc2n[nH]c(=O)[n-]c2=O)o1 ZINC001130753985 830376874 /nfs/dbraw/zinc/37/68/74/830376874.db2.gz HSEVVRGOWCNCOU-UHFFFAOYSA-N -1 0 322.325 -0.582 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001131834821 830539676 /nfs/dbraw/zinc/53/96/76/830539676.db2.gz RQNOPTIGZNSTKW-ONGXEEELSA-N -1 0 324.385 -0.542 20 0 DBADRM CCC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001131912533 830559653 /nfs/dbraw/zinc/55/96/53/830559653.db2.gz ZLFOBPAUQDQQLP-NXEZZACHSA-N -1 0 324.385 -0.494 20 0 DBADRM Cc1ccnc(CNCCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001132242040 830611801 /nfs/dbraw/zinc/61/18/01/830611801.db2.gz HBCCPZWULBLWPW-UHFFFAOYSA-N -1 0 318.337 -0.896 20 0 DBADRM Cc1nc(CNCCNC(=O)c2cnc([O-])n(C)c2=O)c(C)o1 ZINC001132242338 830611895 /nfs/dbraw/zinc/61/18/95/830611895.db2.gz NSDVDFJXNNRQNV-UHFFFAOYSA-N -1 0 321.337 -0.390 20 0 DBADRM Cc1nc([C@@H](C)NCCNC(=O)c2cnc([O-])n(C)c2=O)no1 ZINC001132242550 830612022 /nfs/dbraw/zinc/61/20/22/830612022.db2.gz SDZSSRLNTHFFIP-SSDOTTSWSA-N -1 0 322.325 -0.742 20 0 DBADRM C[C@H](NCCNC(=O)c1cnc([O-])n(C)c1=O)c1csnn1 ZINC001132242141 830612057 /nfs/dbraw/zinc/61/20/57/830612057.db2.gz JQAYDZYEZSRYKA-ZETCQYMHSA-N -1 0 324.366 -0.582 20 0 DBADRM Cc1cnc([C@@H](C)NCCNC(=O)c2cnc([O-])n(C)c2=O)o1 ZINC001132242611 830612094 /nfs/dbraw/zinc/61/20/94/830612094.db2.gz VOHSDXLPDBQXSR-SECBINFHSA-N -1 0 321.337 -0.137 20 0 DBADRM Cc1nc(CNCCNC(=O)c2cnc([O-])n(C)c2=O)oc1C ZINC001132242530 830612267 /nfs/dbraw/zinc/61/22/67/830612267.db2.gz RBFGOGAMKXEWMB-UHFFFAOYSA-N -1 0 321.337 -0.390 20 0 DBADRM CC(=O)N[C@H](CC(F)(F)F)C(=O)NCC(=O)CCC(=O)[O-] ZINC001181340990 833628006 /nfs/dbraw/zinc/62/80/06/833628006.db2.gz NPKAGZXROJEZOY-MRVPVSSYSA-N -1 0 312.244 -0.006 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001132261588 830616690 /nfs/dbraw/zinc/61/66/90/830616690.db2.gz NKMYKTZBOFZRRL-DTWKUNHWSA-N -1 0 322.369 -0.755 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1CO[N-]C1=O ZINC001181601095 833637541 /nfs/dbraw/zinc/63/75/41/833637541.db2.gz MIYXUHHMPAHICS-OLZOCXBDSA-N -1 0 303.318 -0.494 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cc1csc(N2CCCC2=O)n1 ZINC001134414076 830934862 /nfs/dbraw/zinc/93/48/62/830934862.db2.gz IJJMPDHTAZQEFR-UHFFFAOYSA-N -1 0 312.351 -0.394 20 0 DBADRM COCCN(CC(=O)NCC(=O)[N-]OC)C(=O)OC(C)(C)C ZINC001134414857 830935385 /nfs/dbraw/zinc/93/53/85/830935385.db2.gz SLMTZMWPBJVITF-UHFFFAOYSA-N -1 0 319.358 -0.336 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(OCc2nc(C)no2)nc1 ZINC001134634560 830958548 /nfs/dbraw/zinc/95/85/48/830958548.db2.gz HYJSJBUWGIVUNU-UHFFFAOYSA-N -1 0 321.293 -0.241 20 0 DBADRM CC(=O)N[C@H](CCc1ccccc1)C(=O)NCc1nnn[n-]1 ZINC001182795242 833690558 /nfs/dbraw/zinc/69/05/58/833690558.db2.gz XUASYFFGYBPIEZ-GFCCVEGCSA-N -1 0 302.338 -0.047 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1cccnc1-n1cccn1 ZINC001136356655 831161783 /nfs/dbraw/zinc/16/17/83/831161783.db2.gz DXIHMVGJEZIHGP-UHFFFAOYSA-N -1 0 315.293 -0.414 20 0 DBADRM O=C(c1cnc2n[nH]cc2c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001136656413 831164996 /nfs/dbraw/zinc/16/49/96/831164996.db2.gz FLEFAICDXYOVLO-VIFPVBQESA-N -1 0 300.282 -0.315 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001136655875 831165192 /nfs/dbraw/zinc/16/51/92/831165192.db2.gz LJOHADYRFPXVKG-SOBCLFBASA-N -1 0 310.339 -0.854 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCOC[C@H]1CCCO1 ZINC001136835223 831166842 /nfs/dbraw/zinc/16/68/42/831166842.db2.gz PAZHSEVNVOTXLO-MRVPVSSYSA-N -1 0 302.356 -0.086 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)c3c[n-]ncc3=O)CCN2C1=O ZINC001137226122 831168998 /nfs/dbraw/zinc/16/89/98/831168998.db2.gz BZEDPZPLFJOFRU-VIFPVBQESA-N -1 0 305.294 -0.709 20 0 DBADRM CC(=O)N[C@@H](CC(=O)Nc1cc(C(C)=O)ccc1[O-])C(N)=O ZINC001137921040 831172678 /nfs/dbraw/zinc/17/26/78/831172678.db2.gz SCNHPACFADUREA-NSHDSACASA-N -1 0 307.306 -0.087 20 0 DBADRM O=C(C[C@H]1CC(=O)NC1=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC001138638970 831176750 /nfs/dbraw/zinc/17/67/50/831176750.db2.gz HDWOBHRMVKQGQW-BYPYZUCNSA-N -1 0 305.216 -0.508 20 0 DBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)CCc2nnn[n-]2)C1 ZINC001139658182 831181586 /nfs/dbraw/zinc/18/15/86/831181586.db2.gz NHLDVNVQUACRGI-GHMZBOCLSA-N -1 0 313.358 -0.995 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)[N-]OC(C)(C)CO)C1=O ZINC001141025068 831188730 /nfs/dbraw/zinc/18/87/30/831188730.db2.gz KBEKXAIXQKRSMC-SECBINFHSA-N -1 0 302.327 -0.783 20 0 DBADRM COCCOc1ccc(CNC(=O)CCc2nnn[n-]2)cn1 ZINC001141752291 831194823 /nfs/dbraw/zinc/19/48/23/831194823.db2.gz GHKJRHCRFAMBCY-UHFFFAOYSA-N -1 0 306.326 -0.131 20 0 DBADRM Nc1c2c(=O)nccc-2[n-]n1C(=O)CNC(=O)c1ccco1 ZINC001142123963 831204288 /nfs/dbraw/zinc/20/42/88/831204288.db2.gz PJKUYFRDPABUDB-UHFFFAOYSA-N -1 0 301.262 -0.078 20 0 DBADRM COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)Cn1nccn1 ZINC001142186634 831206778 /nfs/dbraw/zinc/20/67/78/831206778.db2.gz CZZIPYLDQCJOSY-UHFFFAOYSA-N -1 0 307.266 -0.182 20 0 DBADRM O=C(CCC(=O)NCc1cccnc1)NCc1n[nH]c(=O)[n-]1 ZINC001142330277 831211167 /nfs/dbraw/zinc/21/11/67/831211167.db2.gz ZIFHCIRPACMOTC-UHFFFAOYSA-N -1 0 304.310 -0.382 20 0 DBADRM O=C(CCC(=O)NCS(=O)(=O)[O-])NCc1cccnc1 ZINC001142330184 831211236 /nfs/dbraw/zinc/21/12/36/831211236.db2.gz VLMLGTTVTWCROR-UHFFFAOYSA-N -1 0 301.324 -0.561 20 0 DBADRM COc1cc(NCCCNC(=O)CCCc2nnn[n-]2)ncn1 ZINC001142841478 831221381 /nfs/dbraw/zinc/22/13/81/831221381.db2.gz XAGIGEJAJXPWOK-UHFFFAOYSA-N -1 0 320.357 -0.061 20 0 DBADRM COC1(OC)CCN(C(=O)c2c[n-]n3c2nccc3=O)C[C@H]1O ZINC001142922251 831222060 /nfs/dbraw/zinc/22/20/60/831222060.db2.gz ZJTZIFUBAOCOCP-SNVBAGLBSA-N -1 0 322.321 -0.782 20 0 DBADRM Cc1ccc(S(=O)(=O)CC(=O)NCS(=O)(=O)[O-])cc1 ZINC001143004926 831224763 /nfs/dbraw/zinc/22/47/63/831224763.db2.gz RDLCEZGMIVCPCC-UHFFFAOYSA-N -1 0 307.349 -0.270 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)NCS(=O)(=O)[O-])cc1 ZINC001143072627 831227854 /nfs/dbraw/zinc/22/78/54/831227854.db2.gz MFDMZKNMAPCTAT-UHFFFAOYSA-N -1 0 322.364 -0.765 20 0 DBADRM CN1CCO[C@@H](C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)C1=O ZINC001143305671 831236013 /nfs/dbraw/zinc/23/60/13/831236013.db2.gz INXINWHVAAZADP-JTQLQIEISA-N -1 0 318.289 -0.174 20 0 DBADRM CNC(=O)c1cncc(C=CC(=O)N(C)Cc2nc(=O)o[n-]2)c1 ZINC001143360760 831236272 /nfs/dbraw/zinc/23/62/72/831236272.db2.gz HVVQNXQFXVNSLG-ARJAWSKDSA-N -1 0 317.305 -0.211 20 0 DBADRM COc1cc(OC)nc(CN2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC001143412860 831236872 /nfs/dbraw/zinc/23/68/72/831236872.db2.gz CMHRZZVAEYZTMJ-UHFFFAOYSA-N -1 0 310.310 -0.777 20 0 DBADRM COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)C(=O)[O-] ZINC001143418515 831237091 /nfs/dbraw/zinc/23/70/91/831237091.db2.gz BXGDYSLWXRNNFN-QMTHXVAHSA-N -1 0 314.338 -0.674 20 0 DBADRM O=C([O-])C(=O)N(Cc1cn2c(n1)CNCC2)c1ccccn1 ZINC001143420787 831237166 /nfs/dbraw/zinc/23/71/66/831237166.db2.gz XRSWBVAEXCZZGH-UHFFFAOYSA-N -1 0 301.306 -0.001 20 0 DBADRM Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)C(=O)[O-])C1 ZINC001143420105 831237189 /nfs/dbraw/zinc/23/71/89/831237189.db2.gz ROKWGTFVNXTPOW-OAHLLOKOSA-N -1 0 320.349 -0.064 20 0 DBADRM COc1cc(C[C@H](O)C(=O)NCc2n[nH]c(=O)[n-]2)ccc1O ZINC001143603216 831240524 /nfs/dbraw/zinc/24/05/24/831240524.db2.gz RZMABZHZFIGNRS-VIFPVBQESA-N -1 0 308.294 -0.556 20 0 DBADRM CC(C)=CC(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001143919479 831244074 /nfs/dbraw/zinc/24/40/74/831244074.db2.gz RCCSTWHHSKKWQO-UHFFFAOYSA-N -1 0 303.300 -0.685 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCS(=O)(=O)[O-] ZINC001145104454 831265182 /nfs/dbraw/zinc/26/51/82/831265182.db2.gz GMUOXNJOWUTPMJ-RQJHMYQMSA-N -1 0 312.344 -0.778 20 0 DBADRM CC(C)(C)OC(=O)N[C@@](C)(CO)C(=O)NCc1nnn[n-]1 ZINC001146189671 831266558 /nfs/dbraw/zinc/26/65/58/831266558.db2.gz VEVRQUNICNLOEM-NSHDSACASA-N -1 0 300.319 -0.908 20 0 DBADRM CC(C)(C)OC(=O)N[C@@](C)(CO)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001146188454 831267068 /nfs/dbraw/zinc/26/70/68/831267068.db2.gz HVSQGVBTMBYKMU-LBPRGKRZSA-N -1 0 315.330 -0.598 20 0 DBADRM O=C(CCc1nnn[n-]1)NCCNC(=O)c1c(F)cccc1F ZINC001146862825 831302889 /nfs/dbraw/zinc/30/28/89/831302889.db2.gz YZYVVBCFHFJVTC-UHFFFAOYSA-N -1 0 324.291 -0.043 20 0 DBADRM COCCCn1cc(C(=O)NCC[NH2+]Cc2n[nH]c(=O)[n-]2)cn1 ZINC001147055937 831331564 /nfs/dbraw/zinc/33/15/64/831331564.db2.gz DVRNRKMHJCAAJG-UHFFFAOYSA-N -1 0 323.357 -0.737 20 0 DBADRM COCCCOCCC(=O)NCC[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001147070225 831335542 /nfs/dbraw/zinc/33/55/42/831335542.db2.gz ZPTXBTXXJPTDMM-UHFFFAOYSA-N -1 0 301.347 -0.841 20 0 DBADRM COC[C@@H](C)C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001147211944 831349383 /nfs/dbraw/zinc/34/93/83/831349383.db2.gz KDLWMDAAXGGGMN-SNVBAGLBSA-N -1 0 309.370 -0.173 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCOC(F)(F)C(F)(F)F ZINC001177052436 833452866 /nfs/dbraw/zinc/45/28/66/833452866.db2.gz SOUGGLBFXLWYEQ-UHFFFAOYSA-N -1 0 320.174 -0.023 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2ccnc3c2CC(=O)N3)C(=O)N1C ZINC001148186517 831434784 /nfs/dbraw/zinc/43/47/84/831434784.db2.gz FAAVNXHNHJEADR-LURJTMIESA-N -1 0 303.278 -0.497 20 0 DBADRM Cn1ccc(C(=O)NCCC(=O)N2CCOCC2)c1CC(=O)[O-] ZINC001177361029 833464779 /nfs/dbraw/zinc/46/47/79/833464779.db2.gz GOJUSHUDZVLSST-UHFFFAOYSA-N -1 0 323.349 -0.369 20 0 DBADRM Cn1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)c1CC(=O)[O-] ZINC001177364644 833465043 /nfs/dbraw/zinc/46/50/43/833465043.db2.gz VHQMZYUSHHUTPK-OLZOCXBDSA-N -1 0 307.350 -0.193 20 0 DBADRM CSCC[C@H](NC(=O)c1ccn(C)c1CC(=O)[O-])C(N)=O ZINC001177370009 833465134 /nfs/dbraw/zinc/46/51/34/833465134.db2.gz ZDESETCSCHOBMO-VIFPVBQESA-N -1 0 313.379 -0.011 20 0 DBADRM O=C(c1cc(S(=O)(=O)[O-])ccc1O)N1CCn2cnnc2C1 ZINC001148915719 831477558 /nfs/dbraw/zinc/47/75/58/831477558.db2.gz ZVXLHZGVVNPQAV-UHFFFAOYSA-N -1 0 324.318 -0.114 20 0 DBADRM O=C(NC1(CCO)COC1)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148927452 831479420 /nfs/dbraw/zinc/47/94/20/831479420.db2.gz PWWHCMHCNMRNGN-UHFFFAOYSA-N -1 0 317.319 -0.480 20 0 DBADRM Cc1cnc([C@@H](C)NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001149160767 831501753 /nfs/dbraw/zinc/50/17/53/831501753.db2.gz DUVGAZGYGXCMQB-MRVPVSSYSA-N -1 0 310.314 -0.547 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNCC(F)(F)C(F)F ZINC001149161210 831503037 /nfs/dbraw/zinc/50/30/37/831503037.db2.gz QOWCINFERSTKRK-UHFFFAOYSA-N -1 0 315.227 -0.705 20 0 DBADRM CN(C(=O)c1n[nH]cc1I)c1nnn[n-]1 ZINC001149219590 831509051 /nfs/dbraw/zinc/50/90/51/831509051.db2.gz CMRLGYOOYUAPIK-UHFFFAOYSA-N -1 0 319.066 -0.196 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cc2ncc(Br)cn2n1 ZINC001150797813 831646942 /nfs/dbraw/zinc/64/69/42/831646942.db2.gz NBIFQWSDTRLJBR-UHFFFAOYSA-N -1 0 323.114 -0.065 20 0 DBADRM Cn1cnc2c1nccc2C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001150803279 831646987 /nfs/dbraw/zinc/64/69/87/831646987.db2.gz KGSDBEDQLXPKJZ-SECBINFHSA-N -1 0 314.309 -0.305 20 0 DBADRM CN(C)c1ncnc2c1cc(C(=O)NCc1nc(=O)o[n-]1)n2C ZINC001151978286 831718465 /nfs/dbraw/zinc/71/84/65/831718465.db2.gz SVYQPIPADXLXLT-UHFFFAOYSA-N -1 0 317.309 -0.359 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cccc2ncnn21 ZINC001152891752 831781048 /nfs/dbraw/zinc/78/10/48/831781048.db2.gz WHGMRNXTMHMDEZ-QMMMGPOBSA-N -1 0 306.278 -0.135 20 0 DBADRM O=C(c1cnc2[nH]c(=O)[nH]c2c1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001153002039 831785903 /nfs/dbraw/zinc/78/59/03/831785903.db2.gz QAVNDRSROFRKJE-LURJTMIESA-N -1 0 300.282 -0.194 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)Cc1nnc(C)[nH]1 ZINC001153252379 831799885 /nfs/dbraw/zinc/79/98/85/831799885.db2.gz FYKNCWKXEQCFEK-MRVPVSSYSA-N -1 0 322.373 -0.494 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2c[nH]c3cccnc23)C(=O)N1S(=O)(=O)[O-] ZINC001153249011 831800164 /nfs/dbraw/zinc/80/01/64/831800164.db2.gz SIGWRVJCFWBKBS-RCOVLWMOSA-N -1 0 324.318 -0.305 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)Cc1ccn(C)n1 ZINC001153274143 831800620 /nfs/dbraw/zinc/80/06/20/831800620.db2.gz ZFSJYAPOOZOTRD-SNVBAGLBSA-N -1 0 321.385 -0.187 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2c[n-]c3cccnc3c2=O)CCO1 ZINC001153855509 831841222 /nfs/dbraw/zinc/84/12/22/831841222.db2.gz DXIFBWQXPXDKGL-SNVBAGLBSA-N -1 0 302.290 -0.751 20 0 DBADRM O=C(c1c[n-]c2cccnc2c1=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001153859205 831842251 /nfs/dbraw/zinc/84/22/51/831842251.db2.gz YKNLUBJUIIWWGF-SKDRFNHKSA-N -1 0 303.318 -0.262 20 0 DBADRM O=C(N[C@H]1C=CS(=O)(=O)C1)c1c[n-]c2cccnc2c1=O ZINC001153859963 831842352 /nfs/dbraw/zinc/84/23/52/831842352.db2.gz CXPVIZVZTBXZDU-QMMMGPOBSA-N -1 0 305.315 -0.036 20 0 DBADRM COC(=O)c1cccc2c1n[nH]c2C(=O)NCc1nnn[n-]1 ZINC001154146364 831863456 /nfs/dbraw/zinc/86/34/56/831863456.db2.gz CZRJXZGRSJCANO-UHFFFAOYSA-N -1 0 301.266 -0.207 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001154894693 831905492 /nfs/dbraw/zinc/90/54/92/831905492.db2.gz ZYMPNLBJZAFVBB-MRVPVSSYSA-N -1 0 321.341 -0.766 20 0 DBADRM O=C(CN1CCCCS1(=O)=O)NCCc1n[n-]c(=S)o1 ZINC001154907155 831906236 /nfs/dbraw/zinc/90/62/36/831906236.db2.gz LNTDOYUIGXUDOM-UHFFFAOYSA-N -1 0 320.396 -0.557 20 0 DBADRM CNC(=O)C1(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)CCC1 ZINC001155134419 831918721 /nfs/dbraw/zinc/91/87/21/831918721.db2.gz HRNAYEIBKSQINS-JTQLQIEISA-N -1 0 306.370 -0.103 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1ccc2c(n1)NC(=O)CO2 ZINC001155734920 831948741 /nfs/dbraw/zinc/94/87/41/831948741.db2.gz UOUGHLQKQOJGST-SNVBAGLBSA-N -1 0 308.275 -0.549 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1cnn(C)n1 ZINC001155807185 831953255 /nfs/dbraw/zinc/95/32/55/831953255.db2.gz OGNFKOCIEOVHOP-MRVPVSSYSA-N -1 0 308.346 -0.721 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cnc2nccn2c1 ZINC001155921442 831959483 /nfs/dbraw/zinc/95/94/83/831959483.db2.gz XCETXDZKXZUKNR-VIFPVBQESA-N -1 0 306.278 -0.135 20 0 DBADRM NS(=O)(=O)c1cccc(NCC[N-]C(=O)C(F)(F)F)n1 ZINC001156210938 831974944 /nfs/dbraw/zinc/97/49/44/831974944.db2.gz XAWKFUWAULNVHU-UHFFFAOYSA-N -1 0 312.273 -0.181 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1cnc2c(C(F)(F)F)cnn2c1 ZINC001156223411 831975043 /nfs/dbraw/zinc/97/50/43/831975043.db2.gz PMHLXDKDQALNJE-SSDOTTSWSA-N -1 0 315.211 -0.092 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001156470469 831984710 /nfs/dbraw/zinc/98/47/10/831984710.db2.gz HYCIUKLSHNQQHF-BDAKNGLRSA-N -1 0 310.358 -0.885 20 0 DBADRM O=C(NCCO[C@@H]1CCOC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001156519271 831988353 /nfs/dbraw/zinc/98/83/53/831988353.db2.gz KCPQOVUUACJPKY-SECBINFHSA-N -1 0 320.305 -0.029 20 0 DBADRM CC1(C)NC(=O)N(Cc2ccc(N[C@@H]3CO[N-]C3=O)nc2)C1=O ZINC001156697510 831995683 /nfs/dbraw/zinc/99/56/83/831995683.db2.gz UGBHZTBQSRFLPJ-SECBINFHSA-N -1 0 319.321 -0.246 20 0 DBADRM Cn1cc(-c2nn(C)cc2NC(=O)Cn2c(=O)[n-][nH]c2=O)cn1 ZINC001156934380 832010338 /nfs/dbraw/zinc/01/03/38/832010338.db2.gz QGMGODYZHYZMMY-UHFFFAOYSA-N -1 0 318.297 -0.538 20 0 DBADRM COC(=O)c1cncnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001157071864 832019230 /nfs/dbraw/zinc/01/92/30/832019230.db2.gz ZIPWPHUQKRGQQU-FSPLSTOPSA-N -1 0 316.295 -0.923 20 0 DBADRM CNC(=O)c1cccnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001157070595 832019285 /nfs/dbraw/zinc/01/92/85/832019285.db2.gz GYILCKJTFJGGHM-XPUUQOCRSA-N -1 0 314.323 -0.745 20 0 DBADRM C[C@H]1[C@H](Nc2cccc(Cl)[n+]2[O-])C(=O)N1S(=O)(=O)[O-] ZINC001157067877 832019407 /nfs/dbraw/zinc/01/94/07/832019407.db2.gz XAYRQZXLJREFCO-XNCJUZBTSA-N -1 0 307.715 -0.213 20 0 DBADRM O=C([O-])Cc1nccnc1NCCNC(=O)N1CCOCC1 ZINC001157109559 832022333 /nfs/dbraw/zinc/02/23/33/832022333.db2.gz UYJPBPDOPFIVPA-UHFFFAOYSA-N -1 0 309.326 -0.443 20 0 DBADRM CCOC(=O)c1cnn2ccc(C(=O)N[C@@H]3CO[N-]C3=O)cc12 ZINC001157146555 832024318 /nfs/dbraw/zinc/02/43/18/832024318.db2.gz OULPJUUBCBEXSU-SNVBAGLBSA-N -1 0 318.289 -0.329 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001157227215 832028300 /nfs/dbraw/zinc/02/83/00/832028300.db2.gz DBRDOGZQRCSVME-GHMZBOCLSA-N -1 0 324.337 -0.583 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)Cn1ccnc1 ZINC001157293570 832031536 /nfs/dbraw/zinc/03/15/36/832031536.db2.gz ITDPFEGFKIJENO-SNVBAGLBSA-N -1 0 307.358 -0.266 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NC2(CO)COC2)nc1 ZINC001157397567 832040858 /nfs/dbraw/zinc/04/08/58/832040858.db2.gz CDVZGIRTHKVQRO-UHFFFAOYSA-N -1 0 301.324 -0.920 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC001157837522 832066249 /nfs/dbraw/zinc/06/62/49/832066249.db2.gz YYBQLWGZLOUFIZ-MRVPVSSYSA-N -1 0 301.299 -0.733 20 0 DBADRM NC(=O)[C@H](CO)NC(F)(F)c1cc(Cl)nnc1C(=O)[O-] ZINC001158443212 832112845 /nfs/dbraw/zinc/11/28/45/832112845.db2.gz HMDVDZSTUSRUAY-BYPYZUCNSA-N -1 0 310.644 -0.687 20 0 DBADRM CC(C)(CO)ONC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC001158455519 832114633 /nfs/dbraw/zinc/11/46/33/832114633.db2.gz OOVZRCNNHKIBIO-UHFFFAOYSA-N -1 0 308.381 -0.243 20 0 DBADRM NC(=O)[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)c1ccccn1 ZINC001159195430 832163525 /nfs/dbraw/zinc/16/35/25/832163525.db2.gz RDRAOFXWSIONDT-NSHDSACASA-N -1 0 312.289 -0.626 20 0 DBADRM Cc1cc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])cc(=O)o1 ZINC001185653127 833804169 /nfs/dbraw/zinc/80/41/69/833804169.db2.gz CLCXLOYNXNPKFT-UHFFFAOYSA-N -1 0 318.226 -0.564 20 0 DBADRM CO[C@@H]1CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])[C@H](C)C1 ZINC001185663479 833804385 /nfs/dbraw/zinc/80/43/85/833804385.db2.gz ZKUGZMRFMLVDMJ-RKDXNWHRSA-N -1 0 322.302 -0.439 20 0 DBADRM CO[C@@H](C)C1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185661330 833804924 /nfs/dbraw/zinc/80/49/24/833804924.db2.gz INBKRFIHMONRES-ZETCQYMHSA-N -1 0 308.275 -0.971 20 0 DBADRM C[C@@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1ccno1 ZINC001185667824 833805382 /nfs/dbraw/zinc/80/53/82/833805382.db2.gz QLAPYZTWOBZCGX-ZCFIWIBFSA-N -1 0 305.231 -0.599 20 0 DBADRM C[C@H]1COCC[C@@H]1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664709 833805454 /nfs/dbraw/zinc/80/54/54/833805454.db2.gz YPNDHJSSHIXQPI-YUMQZZPRSA-N -1 0 308.275 -0.924 20 0 DBADRM CN(CC(=O)NCC(=O)C(C)(C)C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664571 833805682 /nfs/dbraw/zinc/80/56/82/833805682.db2.gz VBYITFSECSOJPV-UHFFFAOYSA-N -1 0 308.275 -0.733 20 0 DBADRM CN(CC(=O)NCCn1cccc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663820 833806035 /nfs/dbraw/zinc/80/60/35/833806035.db2.gz PGJWWJUNAVIKJR-UHFFFAOYSA-N -1 0 303.259 -0.847 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)ccc1F ZINC001186202162 833837325 /nfs/dbraw/zinc/83/73/25/833837325.db2.gz XULADHVJGGKJDK-GHMZBOCLSA-N -1 0 319.310 -0.048 20 0 DBADRM CCOCCC[N@@H+]1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001269336828 832417381 /nfs/dbraw/zinc/41/73/81/832417381.db2.gz FHYWDXBAOYPPJQ-SNVBAGLBSA-N -1 0 313.358 -0.694 20 0 DBADRM CC[C@H](C)N1C[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269576437 832451223 /nfs/dbraw/zinc/45/12/23/832451223.db2.gz MAIXUYGNDQANAG-IINYFYTJSA-N -1 0 322.369 -0.629 20 0 DBADRM CC(C)CN1CC[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269578268 832451742 /nfs/dbraw/zinc/45/17/42/832451742.db2.gz ZCUMZNHYIKVBPY-CQSZACIVSA-N -1 0 306.370 -0.151 20 0 DBADRM CC(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1nnn[n-]1 ZINC001269578125 832452094 /nfs/dbraw/zinc/45/20/94/832452094.db2.gz SULBENOGPMTRFP-GHMZBOCLSA-N -1 0 306.370 -0.010 20 0 DBADRM CC(C)CN1C[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269577909 832452098 /nfs/dbraw/zinc/45/20/98/832452098.db2.gz PUJUGYHVDCQRTH-AWEZNQCLSA-N -1 0 322.369 -0.772 20 0 DBADRM CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(=O)[nH]cn1)C2 ZINC001270121756 832501910 /nfs/dbraw/zinc/50/19/10/832501910.db2.gz XTYATVMVHOZAHW-MNOVXSKESA-N -1 0 319.365 -0.583 20 0 DBADRM CC(C)NC(=O)N1CC2(C1)CCCN(C(=O)Cc1nnn[n-]1)C2 ZINC001270182497 832509205 /nfs/dbraw/zinc/50/92/05/832509205.db2.gz GWODDCMNSNEZEM-UHFFFAOYSA-N -1 0 321.385 -0.215 20 0 DBADRM CC(C)(C)NC(=O)[C@H]1CCC2(CN(C(=O)Cc3nnn[n-]3)C2)O1 ZINC001270783989 832577246 /nfs/dbraw/zinc/57/72/46/832577246.db2.gz BMNMFQUSWKSDKO-SECBINFHSA-N -1 0 322.369 -0.583 20 0 DBADRM Cn1ccnc1NC(=O)[C@]12C[C@H]1CCN2C(=O)Cc1nnn[n-]1 ZINC001270784167 832577930 /nfs/dbraw/zinc/57/79/30/832577930.db2.gz DHJCBAJZIMJPKZ-OQPBUACISA-N -1 0 316.325 -0.895 20 0 DBADRM O=C(Cc1nnn[n-]1)N1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N1CC=CC1 ZINC001270789000 832578163 /nfs/dbraw/zinc/57/81/63/832578163.db2.gz LMOKTFNWFGHONK-GNXNZQSNSA-N -1 0 316.365 -0.375 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@H]2C[C@]21C(=O)NCC(F)F ZINC001270788650 832578447 /nfs/dbraw/zinc/57/84/47/832578447.db2.gz ILCQKJXNRJEIGG-UPONEAKYSA-N -1 0 300.269 -0.886 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC2(C[C@H]2C(=O)N2CCCCO2)C1 ZINC001270789167 832579032 /nfs/dbraw/zinc/57/90/32/832579032.db2.gz NZZCQJGPKJYEHG-VIFPVBQESA-N -1 0 306.326 -0.855 20 0 DBADRM CN(C)C(=O)[C@@H]1CCSC12CN(C(=O)Cc1nnn[n-]1)C2 ZINC001270789137 832579116 /nfs/dbraw/zinc/57/91/16/832579116.db2.gz MQCYKQHIKSMYFR-QMMMGPOBSA-N -1 0 310.383 -0.836 20 0 DBADRM O=C(Cc1nnn[n-]1)N1C[C@H]2C[C@@]2(C(=O)N2CCCCO2)C1 ZINC001270789644 832579183 /nfs/dbraw/zinc/57/91/83/832579183.db2.gz SSQJMTLCXRPMIC-NOZJJQNGSA-N -1 0 306.326 -0.855 20 0 DBADRM C[C@H](O)CC(=O)N1CCc2onc(C(=O)[N-]c3nnco3)c2C1 ZINC001271935588 832717727 /nfs/dbraw/zinc/71/77/27/832717727.db2.gz SOPHYLISMKBVDD-ZETCQYMHSA-N -1 0 321.293 -0.035 20 0 DBADRM CCOC(=O)C(F)(F)C[N-]S(=O)(=O)CCC(=O)OC ZINC001188402293 833982860 /nfs/dbraw/zinc/98/28/60/833982860.db2.gz JENOGLJKZRLRNR-UHFFFAOYSA-N -1 0 303.283 -0.333 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(Cc1ccco1)C2 ZINC001277390493 833954240 /nfs/dbraw/zinc/95/42/40/833954240.db2.gz PCEOKMAEMFXESG-UHFFFAOYSA-N -1 0 314.309 -0.284 20 0 DBADRM NC(=O)[C@@H]1CC12CCN(C(=O)C[N-]C(=O)C(F)(F)F)CC2 ZINC001272264862 832764388 /nfs/dbraw/zinc/76/43/88/832764388.db2.gz KKTIYAJVNNRHPH-ZETCQYMHSA-N -1 0 307.272 -0.221 20 0 DBADRM CN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)C[N-]C(=O)C(F)(F)F ZINC001272263309 832764443 /nfs/dbraw/zinc/76/44/43/832764443.db2.gz KVEGEHXJCJJIDF-WRWORJQWSA-N -1 0 307.272 -0.256 20 0 DBADRM NC(=O)c1noc2c1CN(C(=O)C[N-]C(=O)C(F)(F)F)CC2 ZINC001272265158 832764817 /nfs/dbraw/zinc/76/48/17/832764817.db2.gz MWMOCYSXRVIFLA-UHFFFAOYSA-N -1 0 320.227 -0.663 20 0 DBADRM CCOCCN1CC2(CN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O ZINC001272282842 832766852 /nfs/dbraw/zinc/76/68/52/832766852.db2.gz LAUVWFMCZOGABK-UHFFFAOYSA-N -1 0 324.337 -0.795 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCC[C@@]12CCN(C1COC1)C2=O ZINC001272287668 832768073 /nfs/dbraw/zinc/76/80/73/832768073.db2.gz ZEALUMMRWOMEII-AWEZNQCLSA-N -1 0 306.322 -0.279 20 0 DBADRM CC[C@@H](C)N1C(=O)COCC12CN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001272355659 832775422 /nfs/dbraw/zinc/77/54/22/832775422.db2.gz WVWOYHRLJGROOT-SNVBAGLBSA-N -1 0 322.365 -0.022 20 0 DBADRM Cn1[n-]c(C(=O)N2CC[C@]3(CCN(C4COC4)C3=O)C2)cc1=O ZINC001272355446 832775537 /nfs/dbraw/zinc/77/55/37/832775537.db2.gz GAZXFBXOZBRKBC-HNNXBMFYSA-N -1 0 320.349 -0.411 20 0 DBADRM CN1C[C@@]2(CC1=O)COCCN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001272356737 832776232 /nfs/dbraw/zinc/77/62/32/832776232.db2.gz YWMSSSWFBPHWGC-CQSZACIVSA-N -1 0 308.338 -0.553 20 0 DBADRM CCCOCC(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001272843649 832839194 /nfs/dbraw/zinc/83/91/94/832839194.db2.gz TUIHHIJWSOGEIU-SNVBAGLBSA-N -1 0 313.358 -0.746 20 0 DBADRM CCCOCC(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001272843647 832839693 /nfs/dbraw/zinc/83/96/93/832839693.db2.gz TUIHHIJWSOGEIU-JTQLQIEISA-N -1 0 313.358 -0.746 20 0 DBADRM COC(=O)C[C@H](C)N(OC)C(=O)c1c[n-]n2c1nccc2=O ZINC001159966911 832862338 /nfs/dbraw/zinc/86/23/38/832862338.db2.gz PCDFFYNIGQOGSY-QMMMGPOBSA-N -1 0 308.294 -0.022 20 0 DBADRM Cc1cc(Cn2nnc(C(=O)[N-]N3CC(=O)NC3=O)c2C)on1 ZINC001160530531 832913459 /nfs/dbraw/zinc/91/34/59/832913459.db2.gz SLHJYCANYGNGSX-UHFFFAOYSA-N -1 0 319.281 -0.872 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1cn(-c2cccnc2)nn1 ZINC001160880114 832955921 /nfs/dbraw/zinc/95/59/21/832955921.db2.gz UGJHFFWTNGEDTJ-UHFFFAOYSA-N -1 0 314.309 -0.151 20 0 DBADRM NC(=O)[C@H]1CCCN1c1cc(NCC(=O)CCC(=O)[O-])ncn1 ZINC001160876142 832956540 /nfs/dbraw/zinc/95/65/40/832956540.db2.gz GXLZGGQEXBHHIQ-SNVBAGLBSA-N -1 0 321.337 -0.224 20 0 DBADRM CN1C(=O)C[C@H](C(=O)NCS(=O)(=O)[O-])[C@H]1c1cccnc1 ZINC001177649280 833478802 /nfs/dbraw/zinc/47/88/02/833478802.db2.gz WCOCLCZCEOXHLO-GXSJLCMTSA-N -1 0 313.335 -0.438 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1n[nH]c(-c2ccncc2)n1 ZINC001177735469 833480521 /nfs/dbraw/zinc/48/05/21/833480521.db2.gz IPXHCMIXWKZHGZ-UHFFFAOYSA-N -1 0 303.311 -0.219 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1cncc(N2CCOCC2)n1 ZINC001177735663 833480550 /nfs/dbraw/zinc/48/05/50/833480550.db2.gz MWOQJLDIDCMSHU-UHFFFAOYSA-N -1 0 322.354 -0.773 20 0 DBADRM O=C(Cn1nn[n-]c1=S)Nc1ncccc1N1CCOCC1 ZINC001177736661 833480614 /nfs/dbraw/zinc/48/06/14/833480614.db2.gz YFQRQMZHUMHZBF-UHFFFAOYSA-N -1 0 321.366 -0.168 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NCCc1cn2ccccc2n1 ZINC001177742748 833481044 /nfs/dbraw/zinc/48/10/44/833481044.db2.gz FHNSRDCXFOUUDU-UHFFFAOYSA-N -1 0 303.351 -0.032 20 0 DBADRM CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)Cn1nn[n-]c1=S ZINC001177743182 833481063 /nfs/dbraw/zinc/48/10/63/833481063.db2.gz LCOMVIALWPHEKN-SFYZADRCSA-N -1 0 315.355 -0.954 20 0 DBADRM Cc1cc2n(n1)c(=O)cc(C)n2C(=O)Cn1nn[n-]c1=S ZINC001177739950 833481203 /nfs/dbraw/zinc/48/12/03/833481203.db2.gz YMRIIZQHZQCYBF-UHFFFAOYSA-N -1 0 305.323 -0.272 20 0 DBADRM CCOC(=O)c1c[nH]nc1CNC(=O)Cn1nn[n-]c1=S ZINC001177745832 833481591 /nfs/dbraw/zinc/48/15/91/833481591.db2.gz GFEHBFJJLSYCQI-UHFFFAOYSA-N -1 0 311.327 -0.822 20 0 DBADRM O=C(CNC(=O)Cn1nn[n-]c1=S)NCc1ccc(F)cc1 ZINC001177744054 833481616 /nfs/dbraw/zinc/48/16/16/833481616.db2.gz TZSUGYILPNYPFK-UHFFFAOYSA-N -1 0 324.341 -0.467 20 0 DBADRM COC(=O)[C@H](NC(=O)Cn1nn[n-]c1=S)c1ccc(O)cc1 ZINC001177743957 833481619 /nfs/dbraw/zinc/48/16/19/833481619.db2.gz OZDDPTWAWGHBTB-SNVBAGLBSA-N -1 0 323.334 -0.302 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N[C@H]1CCc2[nH]c(=O)ccc2C1 ZINC001177743910 833481722 /nfs/dbraw/zinc/48/17/22/833481722.db2.gz NGVULOPHHBGOLW-QMMMGPOBSA-N -1 0 306.351 -0.264 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1nnn[n-]1 ZINC001177828331 833483231 /nfs/dbraw/zinc/48/32/31/833483231.db2.gz NDQCVMHKLXUXLM-LLVKDONJSA-N -1 0 314.309 -0.102 20 0 DBADRM O=CNc1nc(CC(=O)N[C@H]2SC(=O)[N-]C2=O)cs1 ZINC001178034819 833488664 /nfs/dbraw/zinc/48/86/64/833488664.db2.gz SZSUZDBXGPVBGC-ZETCQYMHSA-N -1 0 300.321 -0.321 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CCCN(c2ccncn2)C1 ZINC001178136764 833494822 /nfs/dbraw/zinc/49/48/22/833494822.db2.gz MSVCEKYVKONONH-VIFPVBQESA-N -1 0 303.326 -0.167 20 0 DBADRM O=C(Cc1cn(Cc2ccccc2)nn1)NCS(=O)(=O)[O-] ZINC001178324361 833501990 /nfs/dbraw/zinc/50/19/90/833501990.db2.gz LLBVBGWJPXKBOB-UHFFFAOYSA-N -1 0 310.335 -0.170 20 0 DBADRM C[C@H]1[C@H](NC(=O)C2Cc3ccccc3C2)C(=O)N1S(=O)(=O)[O-] ZINC001178545768 833513238 /nfs/dbraw/zinc/51/32/38/833513238.db2.gz ZYRKFIJZGVGXJN-UFBFGSQYSA-N -1 0 324.358 -0.080 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@H]2CC23CCOCC3)C(=O)N1S(=O)(=O)[O-] ZINC001179317495 833542691 /nfs/dbraw/zinc/54/26/91/833542691.db2.gz PIFJAXWILLKBHT-YIZRAAEISA-N -1 0 318.351 -0.679 20 0 DBADRM O=C(CN1c2ccccc2C(=O)C1=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001180052328 833567891 /nfs/dbraw/zinc/56/78/91/833567891.db2.gz OLCWWZGMHNYXIP-LLVKDONJSA-N -1 0 319.298 -0.359 20 0 DBADRM NS(=O)(=O)c1ccc(CCC(=O)NCc2nnn[n-]2)cc1 ZINC001180382501 833582978 /nfs/dbraw/zinc/58/29/78/833582978.db2.gz UVAYSCSDEDMMLM-UHFFFAOYSA-N -1 0 310.339 -0.904 20 0 DBADRM CS(=O)(=O)N1CC(NC(=O)C2(C(=O)[O-])CCCCC2)C1 ZINC001180438441 833585748 /nfs/dbraw/zinc/58/57/48/833585748.db2.gz HQCXYIPEHKBOAJ-UHFFFAOYSA-N -1 0 304.368 -0.219 20 0 DBADRM Nc1c2c(=O)nccc-2[n-]n1C(=O)CCC(=O)N1CCOCC1 ZINC001180499399 833587879 /nfs/dbraw/zinc/58/78/79/833587879.db2.gz VOBYJYXPDSWTRB-UHFFFAOYSA-N -1 0 319.321 -0.462 20 0 DBADRM O=C(CN1CCS(=O)(=O)CC1)Nc1cc(=O)[n-]c(Cl)n1 ZINC001180591419 833592022 /nfs/dbraw/zinc/59/20/22/833592022.db2.gz QCPACPGUNXMSLG-UHFFFAOYSA-N -1 0 320.758 -0.496 20 0 DBADRM CCOC(=O)c1[nH]cnc1NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1 ZINC001181130387 833618069 /nfs/dbraw/zinc/61/80/69/833618069.db2.gz YGWIONDQFMWUCU-LURJTMIESA-N -1 0 309.282 -0.535 20 0 DBADRM CC1(C)C[C@@H]1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001181292990 833624719 /nfs/dbraw/zinc/62/47/19/833624719.db2.gz HCDMXBBRLPECNI-SCSAIBSYSA-N -1 0 317.327 -0.605 20 0 DBADRM CC(=O)N[C@@H](CC(F)(F)F)C(=O)NCC(=O)CCC(=O)[O-] ZINC001181341006 833627653 /nfs/dbraw/zinc/62/76/53/833627653.db2.gz NPKAGZXROJEZOY-QMMMGPOBSA-N -1 0 312.244 -0.006 20 0 DBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)C2(O)CC2)cc1 ZINC001181527813 833633965 /nfs/dbraw/zinc/63/39/65/833633965.db2.gz FIYSOIBFLMBYIF-UHFFFAOYSA-N -1 0 312.347 -0.232 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@@H]2C[C@]2(F)Cl)C(=O)N1S(=O)(=O)[O-] ZINC001181665697 833639256 /nfs/dbraw/zinc/63/92/56/833639256.db2.gz DVCFPVIGQGFHBQ-KALNXVOASA-N -1 0 300.695 -0.571 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@@H]2C[C@@]2(F)Cl)C(=O)N1S(=O)(=O)[O-] ZINC001181665709 833639304 /nfs/dbraw/zinc/63/93/04/833639304.db2.gz DVCFPVIGQGFHBQ-RGDLXGNYSA-N -1 0 300.695 -0.571 20 0 DBADRM CC1(C)OC[C@@H](C(=O)NC(=N)SCCS(=O)(=O)[O-])O1 ZINC001181747231 833643012 /nfs/dbraw/zinc/64/30/12/833643012.db2.gz TVJWEPUDGPAXHC-LURJTMIESA-N -1 0 312.369 -0.190 20 0 DBADRM C[C@@H]1C(=O)OC[C@H]1C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001182084380 833656035 /nfs/dbraw/zinc/65/60/35/833656035.db2.gz DGTIZVRZVRALAL-NTSWFWBYSA-N -1 0 310.353 -0.533 20 0 DBADRM O=C(CNC(=O)c1ccc(O)cc1)NC1C(=O)N=CN=C1[O-] ZINC001182968205 833697938 /nfs/dbraw/zinc/69/79/38/833697938.db2.gz QAAQERIXCADUCM-UHFFFAOYSA-N -1 0 304.262 -0.038 20 0 DBADRM C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCc1nnn[n-]1 ZINC001182977156 833698552 /nfs/dbraw/zinc/69/85/52/833698552.db2.gz YWPPYZBJDKHTPH-VIFPVBQESA-N -1 0 324.366 -0.676 20 0 DBADRM O=C(Nc1ccc(F)cc1O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001183054410 833704119 /nfs/dbraw/zinc/70/41/19/833704119.db2.gz LIRRNDIEDFVLME-QMMMGPOBSA-N -1 0 302.283 -0.617 20 0 DBADRM CN1C[C@@H](C(=O)Nc2nc[n-]c(=O)c2Br)NC1=O ZINC001183069138 833705667 /nfs/dbraw/zinc/70/56/67/833705667.db2.gz CEOUCKCOAPUTSA-BYPYZUCNSA-N -1 0 316.115 -0.093 20 0 DBADRM CN1C[C@@H](C(=O)Nc2ncc(Br)[nH]c2=O)NC1=O ZINC001183075265 833706253 /nfs/dbraw/zinc/70/62/53/833706253.db2.gz QUINPBWSJMBCPH-BYPYZUCNSA-N -1 0 316.115 -0.506 20 0 DBADRM CN1C[C@@H](C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)NC1=O ZINC001183074273 833706387 /nfs/dbraw/zinc/70/63/87/833706387.db2.gz OZUUXMVSSYSCQE-QMMMGPOBSA-N -1 0 324.318 -0.919 20 0 DBADRM C[C@]1(O)C=C[C@@H](O)C(C(=O)NCCCC[P@@](=O)([O-])O)=C1 ZINC001183544053 833721804 /nfs/dbraw/zinc/72/18/04/833721804.db2.gz KERSCOOHMRAYPW-PWSUYJOCSA-N -1 0 305.267 -0.331 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)C1=C[C@@](C)(O)C=C[C@@H]1O ZINC001183551711 833722821 /nfs/dbraw/zinc/72/28/21/833722821.db2.gz KYVOGESGKGLQKF-BHDSKKPTSA-N -1 0 313.306 -0.883 20 0 DBADRM Nc1c2c(=O)nccc-2[n-]n1C(=O)Cn1cc(F)c(=O)[nH]c1=O ZINC001183665015 833728292 /nfs/dbraw/zinc/72/82/92/833728292.db2.gz SLEYECNTCACLIU-UHFFFAOYSA-N -1 0 320.240 -1.000 20 0 DBADRM CC[C@@H]1CCN(CC(=O)N[C@@H](CCC(=O)[O-])C(=O)OC)C1=O ZINC001183674111 833728947 /nfs/dbraw/zinc/72/89/47/833728947.db2.gz MEIBWMHQRXYBMI-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@@H]2C[C@]23CCCOC3)C(=O)N1S(=O)(=O)[O-] ZINC001183734907 833735404 /nfs/dbraw/zinc/73/54/04/833735404.db2.gz LBZDYNQDWYMAJO-PEFMBERDSA-N -1 0 318.351 -0.679 20 0 DBADRM Cn1[nH]cnc1=NC(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183901663 833740604 /nfs/dbraw/zinc/74/06/04/833740604.db2.gz BOQZVTKZFKGILZ-UHFFFAOYSA-N -1 0 306.278 -0.282 20 0 DBADRM O=C([O-])COc1ccc(OCC(=O)NC[C@H]2CNC(=O)C2)cc1 ZINC001183909046 833741091 /nfs/dbraw/zinc/74/10/91/833741091.db2.gz ABOQRACPDWCRKB-SNVBAGLBSA-N -1 0 322.317 -0.219 20 0 DBADRM O=C([O-])COc1ccc(OCC(=O)NCc2nc[nH]n2)cc1 ZINC001183909844 833741499 /nfs/dbraw/zinc/74/14/99/833741499.db2.gz JZBAJXJHRCGFOI-UHFFFAOYSA-N -1 0 306.278 -0.037 20 0 DBADRM O=C([O-])CCC(=O)CNS(=O)(=O)c1cnc(Cl)nc1 ZINC001185075640 833779422 /nfs/dbraw/zinc/77/94/22/833779422.db2.gz LFDZHVBGMYZLGP-UHFFFAOYSA-N -1 0 307.715 -0.158 20 0 DBADRM CSc1ncc([O-])c(C(=O)N[C@@H]2C=CS(=O)(=O)C2)n1 ZINC001185187080 833782049 /nfs/dbraw/zinc/78/20/49/833782049.db2.gz WCOXLBCAPWLSMQ-ZCFIWIBFSA-N -1 0 301.349 -0.055 20 0 DBADRM CSc1ncc([O-])c(C(=O)N[C@H]2C=CS(=O)(=O)C2)n1 ZINC001185187079 833782069 /nfs/dbraw/zinc/78/20/69/833782069.db2.gz WCOXLBCAPWLSMQ-LURJTMIESA-N -1 0 301.349 -0.055 20 0 DBADRM CN(Cc1ccccc1)[C@@H](CO)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001185235871 833784038 /nfs/dbraw/zinc/78/40/38/833784038.db2.gz UEXREIWFLDYPCZ-NSHDSACASA-N -1 0 305.338 -0.381 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H]2COC2=O)cc1C(=O)[O-] ZINC001185326011 833791908 /nfs/dbraw/zinc/79/19/08/833791908.db2.gz GFNOCTRKYPBNCM-QMMMGPOBSA-N -1 0 301.276 -0.403 20 0 DBADRM COCCNC(=O)Nc1ccc(S(=O)(=O)[N-]C(N)=O)cc1 ZINC001186542226 833856602 /nfs/dbraw/zinc/85/66/02/833856602.db2.gz PNLVIVCNPMAXCW-UHFFFAOYSA-N -1 0 316.339 -0.189 20 0 DBADRM COCCCCN1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001276920511 833910881 /nfs/dbraw/zinc/91/08/81/833910881.db2.gz ZFRFUADWIQUXSS-UHFFFAOYSA-N -1 0 320.357 -0.650 20 0 DBADRM COC[C@H](C)C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001187305530 833915759 /nfs/dbraw/zinc/91/57/59/833915759.db2.gz XUNXLFXMOWDYSY-GARJFASQSA-N -1 0 309.370 -0.175 20 0 DBADRM COc1cccc(OC)c1NC(=O)C(=O)N=c1nn[n-]n1C ZINC001187471903 833927485 /nfs/dbraw/zinc/92/74/85/833927485.db2.gz AKRZHRIRQCYKKI-UHFFFAOYSA-N -1 0 306.282 -0.774 20 0 DBADRM C[C@@H]1C[C@@H]1CN1CCc2c([nH]nc2C(=O)N=c2nn[n-]n2C)C1 ZINC001277135286 833927745 /nfs/dbraw/zinc/92/77/45/833927745.db2.gz XVZAGLJFHHXMTG-RKDXNWHRSA-N -1 0 316.369 -0.379 20 0 DBADRM C[C@@H]1C[C@@H]1CN1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001277133544 833927856 /nfs/dbraw/zinc/92/78/56/833927856.db2.gz DBUGUYSPEFDKLP-HTQZYQBOSA-N -1 0 302.342 -0.421 20 0 DBADRM C[C@H]1C[C@@H]1CN1CCc2onc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001277133521 833928228 /nfs/dbraw/zinc/92/82/28/833928228.db2.gz CQTBBSCINWFHMU-DTWKUNHWSA-N -1 0 317.353 -0.114 20 0 DBADRM CC(C)NC(=O)N1CCC12CN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001277166915 833930195 /nfs/dbraw/zinc/93/01/95/833930195.db2.gz AIOUCBSXAKIFHO-UHFFFAOYSA-N -1 0 313.383 -0.024 20 0 DBADRM COCCOCN1C[C@H]2C[C@@H](C1)N2S(=O)(=O)c1ncc[n-]1 ZINC001277167508 833930786 /nfs/dbraw/zinc/93/07/86/833930786.db2.gz YWSHXNFZFCTSIN-PHIMTYICSA-N -1 0 316.383 -0.523 20 0 DBADRM CN1CCO[C@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1 ZINC001277167232 833930911 /nfs/dbraw/zinc/93/09/11/833930911.db2.gz NCBOZEWDGJYDIN-GFCCVEGCSA-N -1 0 300.384 -0.105 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(CC1CC1)C2 ZINC001277239526 833936680 /nfs/dbraw/zinc/93/66/80/833936680.db2.gz QXCHLWSKRVPJQE-UHFFFAOYSA-N -1 0 302.342 -0.625 20 0 DBADRM COCCn1nccc1C(=O)n1[n-]c2ccnc(=O)c-2c1N ZINC001187874912 833955236 /nfs/dbraw/zinc/95/52/36/833955236.db2.gz SCJAODRUSASHLB-UHFFFAOYSA-N -1 0 302.294 -0.210 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001188766053 834012108 /nfs/dbraw/zinc/01/21/08/834012108.db2.gz UVYURRDMWJSGOY-SCZZXKLOSA-N -1 0 310.358 -0.932 20 0 DBADRM CCNC(=O)CC(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001189779498 834111555 /nfs/dbraw/zinc/11/15/55/834111555.db2.gz SRDLGGNEXBFHQN-VIFPVBQESA-N -1 0 310.358 -0.931 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@H]2CC[NH2+]C2)cc(S(=O)(=O)[O-])c1 ZINC001189932980 834127336 /nfs/dbraw/zinc/12/73/36/834127336.db2.gz FJGGGSLCGROYHO-VIFPVBQESA-N -1 0 314.319 -0.277 20 0 DBADRM COc1nc(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)ccc1F ZINC001190112331 834139386 /nfs/dbraw/zinc/13/93/86/834139386.db2.gz RQHKFNXKWVASGE-QMMMGPOBSA-N -1 0 321.311 -0.183 20 0 DBADRM COc1nc(S(=O)(=O)NCS(=O)(=O)[O-])ccc1F ZINC001190118847 834140227 /nfs/dbraw/zinc/14/02/27/834140227.db2.gz VKTGKDWWMDWDQC-UHFFFAOYSA-N -1 0 300.289 -0.647 20 0 DBADRM CCn1nc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1C ZINC001190122792 834141172 /nfs/dbraw/zinc/14/11/72/834141172.db2.gz BHVWDUMDXDTVJI-CBAPKCEASA-N -1 0 316.339 -0.657 20 0 DBADRM CN1CCOC[C@@H]1C[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190207097 834146816 /nfs/dbraw/zinc/14/68/16/834146816.db2.gz FAGRCFJHIJMKQT-VIFPVBQESA-N -1 0 307.322 -0.031 20 0 DBADRM O=S(=O)([N-]CCN1CC2(COC2)C1)c1ncc(F)cc1F ZINC001190209246 834146915 /nfs/dbraw/zinc/14/69/15/834146915.db2.gz SFHRHLQLTGWJRA-UHFFFAOYSA-N -1 0 319.333 -0.030 20 0 DBADRM Cn1c(=O)cc([N-]S(=O)(=O)c2ncc(F)cc2F)[nH]c1=O ZINC001190207544 834146994 /nfs/dbraw/zinc/14/69/94/834146994.db2.gz QRTNKBOAEVTQSV-UHFFFAOYSA-N -1 0 318.261 -0.040 20 0 DBADRM COCCN1C[C@@H]2CN(S(=O)(=O)c3ncc[n-]3)C[C@@H]2C1=O ZINC001190706154 834181731 /nfs/dbraw/zinc/18/17/31/834181731.db2.gz QZKDRWLCCMVJBH-ZJUUUORDSA-N -1 0 314.367 -0.865 20 0 DBADRM CC1(C)CN(C2CN(S(=O)(=O)c3ncc[n-]3)C2)CCO1 ZINC001190708224 834182984 /nfs/dbraw/zinc/18/29/84/834182984.db2.gz ZDXLXCCTSVSFCA-UHFFFAOYSA-N -1 0 300.384 -0.107 20 0 DBADRM COCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001190715877 834184449 /nfs/dbraw/zinc/18/44/49/834184449.db2.gz MKYQYAKNCJFAJI-SECBINFHSA-N -1 0 302.356 -0.675 20 0 DBADRM COC(=O)CC[C@H]1COCCN1S(=O)(=O)c1ncc[n-]1 ZINC001190719019 834184511 /nfs/dbraw/zinc/18/45/11/834184511.db2.gz XSZLCABMMOLAEY-VIFPVBQESA-N -1 0 303.340 -0.248 20 0 DBADRM CCOC(=O)C[C@@H](NS(=O)(=O)c1ncc[n-]1)C(=O)OCC ZINC001190746388 834187915 /nfs/dbraw/zinc/18/79/15/834187915.db2.gz UONJSSUOJZYMCY-MRVPVSSYSA-N -1 0 319.339 -0.427 20 0 DBADRM O=S(=O)(NCc1ccccc1-n1cnnn1)c1ncc[n-]1 ZINC001190755297 834187945 /nfs/dbraw/zinc/18/79/45/834187945.db2.gz OSWOYVZGZJZFAZ-UHFFFAOYSA-N -1 0 305.323 -0.136 20 0 DBADRM CCOC(=O)CN1CCC(NS(=O)(=O)c2ncc[n-]2)CC1 ZINC001190755626 834187969 /nfs/dbraw/zinc/18/79/69/834187969.db2.gz WEUMBQWZBPMKTG-UHFFFAOYSA-N -1 0 316.383 -0.285 20 0 DBADRM O=C(CC(F)(F)F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191525078 834261917 /nfs/dbraw/zinc/26/19/17/834261917.db2.gz WOSHPKXISLMVQA-PHDIDXHHSA-N -1 0 309.248 -0.876 20 0 DBADRM CC(C)[C@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191705094 834279185 /nfs/dbraw/zinc/27/91/85/834279185.db2.gz CWUUZWJYVXGSIG-GMTAPVOTSA-N -1 0 311.386 -0.146 20 0 DBADRM CN(C[C@H](O)CO)C(=O)c1nc(Br)ccc1[O-] ZINC001191737943 834284979 /nfs/dbraw/zinc/28/49/79/834284979.db2.gz WSWFBOQICIRAGS-LURJTMIESA-N -1 0 305.128 -0.025 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001191746326 834286441 /nfs/dbraw/zinc/28/64/41/834286441.db2.gz SRCKRTFEPWFUOA-BDAKNGLRSA-N -1 0 310.358 -0.946 20 0 DBADRM COC[C@H](OC)C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001192266571 834348313 /nfs/dbraw/zinc/34/83/13/834348313.db2.gz GDFJQOUKVCCBII-ZJUUUORDSA-N -1 0 313.358 -0.796 20 0 DBADRM Cc1nnc(-c2cccc(S(=O)(=O)N[C@@H]3CO[N-]C3=O)c2)o1 ZINC001192280442 834351612 /nfs/dbraw/zinc/35/16/12/834351612.db2.gz ULAWCWMWQWHLMB-SNVBAGLBSA-N -1 0 324.318 -0.247 20 0 DBADRM CS[C@@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001192312769 834355239 /nfs/dbraw/zinc/35/52/39/834355239.db2.gz FZMSKHYRMDZQGU-DJLDLDEBSA-N -1 0 315.399 -0.687 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)NC(CCO)CCO)c1 ZINC001238732648 834363122 /nfs/dbraw/zinc/36/31/22/834363122.db2.gz GLTLTXUVFDNUAK-UHFFFAOYSA-N -1 0 321.326 -0.064 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC(CCO)CCO)ccc1F ZINC001238732120 834363216 /nfs/dbraw/zinc/36/32/16/834363216.db2.gz BCANCRKUIKBISW-UHFFFAOYSA-N -1 0 321.326 -0.064 20 0 DBADRM CCOC(=O)[C@H](N)CNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001238839713 834367085 /nfs/dbraw/zinc/36/70/85/834367085.db2.gz INRWQCRXCJXTHC-SNVBAGLBSA-N -1 0 316.335 -0.447 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001192471102 834385609 /nfs/dbraw/zinc/38/56/09/834385609.db2.gz BGOQBJDBQHDUFG-WDEREUQCSA-N -1 0 324.385 -0.542 20 0 DBADRM CCCC[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001192639744 834407516 /nfs/dbraw/zinc/40/75/16/834407516.db2.gz HGDQAYIMLXNMIE-GMTAPVOTSA-N -1 0 311.386 -0.002 20 0 DBADRM CN(C[C@@H](O)CO)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192693518 834411285 /nfs/dbraw/zinc/41/12/85/834411285.db2.gz JMILBUOJWXGKKH-SECBINFHSA-N -1 0 319.335 -0.876 20 0 DBADRM CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)N=c1nn[n-]n1C ZINC001192707551 834411989 /nfs/dbraw/zinc/41/19/89/834411989.db2.gz UNNHTXWXOXALOB-LLVKDONJSA-N -1 0 318.337 -0.072 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCOC(=O)C2)cc1 ZINC001192703828 834411969 /nfs/dbraw/zinc/41/19/69/834411969.db2.gz HROQTUOBBLYSKI-UHFFFAOYSA-N -1 0 315.303 -0.303 20 0 DBADRM O=C(c1c([O-])ccc(F)c1F)N1CC(N2CCNC(=O)C2)C1 ZINC001192753942 834417580 /nfs/dbraw/zinc/41/75/80/834417580.db2.gz NFRANWNWNZYIHQ-UHFFFAOYSA-N -1 0 311.288 -0.073 20 0 DBADRM CC(C)(CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC1 ZINC001192779679 834422189 /nfs/dbraw/zinc/42/21/89/834422189.db2.gz XUFDZFMECNTAFQ-GHMZBOCLSA-N -1 0 323.397 -0.002 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccnc(C(N)=O)c1 ZINC001193024880 834455003 /nfs/dbraw/zinc/45/50/03/834455003.db2.gz YVVFWOYQOVKGFQ-UHFFFAOYSA-N -1 0 315.351 -0.314 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001193123844 834464874 /nfs/dbraw/zinc/46/48/74/834464874.db2.gz SKZCCJMFVRVYRP-JTQLQIEISA-N -1 0 322.369 -0.931 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)C(F)F ZINC001248719308 834475744 /nfs/dbraw/zinc/47/57/44/834475744.db2.gz PRARXOUZBHAOHV-KNVOCYPGSA-N -1 0 324.305 -0.170 20 0 DBADRM CC(C)C(C)(C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001193267736 834479714 /nfs/dbraw/zinc/47/97/14/834479714.db2.gz LEGOYDTVSXPAEF-NXEZZACHSA-N -1 0 311.386 -0.146 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)CCCCC(N)=O)C1 ZINC001193389519 834491406 /nfs/dbraw/zinc/49/14/06/834491406.db2.gz DEBRXPJRLKQXSN-SNVBAGLBSA-N -1 0 324.385 -0.411 20 0 DBADRM CC(=O)N1CCC[C@]2(C1)CN(C(=O)c1cc(=O)[nH][n-]1)CCO2 ZINC001193466613 834498656 /nfs/dbraw/zinc/49/86/56/834498656.db2.gz BEYOGZLGGSBPGE-AWEZNQCLSA-N -1 0 308.338 -0.031 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@](O)(CNCS(=O)(=O)[O-])C1 ZINC001251453893 834498768 /nfs/dbraw/zinc/49/87/68/834498768.db2.gz XLCCYLKAYHERGU-LLVKDONJSA-N -1 0 310.372 -0.207 20 0 DBADRM COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)c1cc(=O)[nH][n-]1 ZINC001193467018 834499858 /nfs/dbraw/zinc/49/98/58/834499858.db2.gz JWNHZQKIQZGPQA-HZGVNTEJSA-N -1 0 315.307 -0.655 20 0 DBADRM CCOCc1nc([C@H](C)NC(=O)NCC(=O)[N-]OC)no1 ZINC001251578273 834501014 /nfs/dbraw/zinc/50/10/14/834501014.db2.gz PAWVZBRLYFMGSQ-ZETCQYMHSA-N -1 0 301.303 -0.356 20 0 DBADRM COCCC1(NC(=O)c2cc(=O)[nH][n-]2)CCS(=O)(=O)CC1 ZINC001193474922 834501698 /nfs/dbraw/zinc/50/16/98/834501698.db2.gz NBPIJNGHZBMHJN-UHFFFAOYSA-N -1 0 317.367 -0.171 20 0 DBADRM CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC001251838875 834506611 /nfs/dbraw/zinc/50/66/11/834506611.db2.gz BEQGCOVJURDOPV-NSHDSACASA-N -1 0 306.384 -0.082 20 0 DBADRM Cn1ccnc1S(=O)(=O)[N-]c1nccnc1N1CCOCC1 ZINC001193556313 834508622 /nfs/dbraw/zinc/50/86/22/834508622.db2.gz FIHOKJMBHXGKKB-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC[C@H](O)CO)cc1 ZINC001252067521 834525456 /nfs/dbraw/zinc/52/54/56/834525456.db2.gz WLPZCIZUMBIGGK-NSHDSACASA-N -1 0 302.352 -0.930 20 0 DBADRM O=S(=O)(CC[N-]S(=O)(=O)C(F)(F)F)N1CCCC1 ZINC001252378337 834528080 /nfs/dbraw/zinc/52/80/80/834528080.db2.gz IULUQHGBNQFQEU-UHFFFAOYSA-N -1 0 310.319 -0.149 20 0 DBADRM CN(C)C(=O)c1nc(C[N-]S(=O)(=O)C(F)(F)F)no1 ZINC001252367454 834528187 /nfs/dbraw/zinc/52/81/87/834528187.db2.gz FRUMGQKCNKQQFU-UHFFFAOYSA-N -1 0 302.234 -0.289 20 0 DBADRM O=C(c1ccc(F)c([O-])c1F)N1CC(N2CCNC(=O)C2)C1 ZINC001193778513 834531032 /nfs/dbraw/zinc/53/10/32/834531032.db2.gz CSJKUFSIQOCZAY-UHFFFAOYSA-N -1 0 311.288 -0.073 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001252653925 834547695 /nfs/dbraw/zinc/54/76/95/834547695.db2.gz PHKLFCYVEMNEJX-DTWKUNHWSA-N -1 0 300.315 -0.806 20 0 DBADRM CS(=O)(=O)N1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001252701119 834550281 /nfs/dbraw/zinc/55/02/81/834550281.db2.gz FQZQNUMXZDROHP-UHFFFAOYSA-N -1 0 300.402 -0.768 20 0 DBADRM COC(=O)c1ncc(=O)[nH]c1[N-]S(=O)(=O)CC(F)(F)F ZINC001253228538 834566455 /nfs/dbraw/zinc/56/64/55/834566455.db2.gz HJLQWXNGJXBEDS-UHFFFAOYSA-N -1 0 315.229 -0.140 20 0 DBADRM C[C@H]1[C@H](NC[C@@H](O)COC(C)(C)C)C(=O)N1S(=O)(=O)[O-] ZINC001253471873 834570175 /nfs/dbraw/zinc/57/01/75/834570175.db2.gz JNHUEDYHUNXMCN-YIZRAAEISA-N -1 0 310.372 -0.846 20 0 DBADRM CCNC(=O)CO[C@@H]1CCCN(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC001194199707 834575852 /nfs/dbraw/zinc/57/58/52/834575852.db2.gz GHHCYXJAJBQWQA-SNVBAGLBSA-N -1 0 310.354 -0.117 20 0 DBADRM CCOC(=O)C(=CNC(=O)c1cc(=O)n(C)[n-]1)C(=O)OCC ZINC001194202461 834576389 /nfs/dbraw/zinc/57/63/89/834576389.db2.gz IKDHICXURNSBNL-UHFFFAOYSA-N -1 0 311.294 -0.134 20 0 DBADRM CC(C)[C@H](NC(=O)c1cc(=O)n(C)[n-]1)C(=O)N1CCOCC1 ZINC001194212211 834577880 /nfs/dbraw/zinc/57/78/80/834577880.db2.gz NFEWZEMHPXSBAO-LBPRGKRZSA-N -1 0 310.354 -0.261 20 0 DBADRM CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc(=O)n(C)[n-]1 ZINC001194211141 834578103 /nfs/dbraw/zinc/57/81/03/834578103.db2.gz MRNKBVRSHWLAPU-JTQLQIEISA-N -1 0 307.310 -0.247 20 0 DBADRM COCC(=O)N[C@H]1CC[C@H](NC(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC001194211802 834578476 /nfs/dbraw/zinc/57/84/76/834578476.db2.gz VWJHUTVOGODGPG-MGCOHNPYSA-N -1 0 310.354 -0.071 20 0 DBADRM COc1ccc(C(=O)N[C@@H]2CO[N-]C2=O)cc1S(C)(=O)=O ZINC001194247389 834579764 /nfs/dbraw/zinc/57/97/64/834579764.db2.gz PXKKQYSEZBMGIV-MRVPVSSYSA-N -1 0 314.319 -0.742 20 0 DBADRM CSCC[C@H](NC(=O)c1ccco1)C(=O)[N-]OCC(N)=O ZINC001254103887 834586568 /nfs/dbraw/zinc/58/65/68/834586568.db2.gz AMMBBYBFWJWDQN-QMMMGPOBSA-N -1 0 315.351 -0.336 20 0 DBADRM Cc1cn(CCOCCOCCOCCOCC(=O)[O-])nn1 ZINC001254089009 834586905 /nfs/dbraw/zinc/58/69/05/834586905.db2.gz ONZARBWRGAAWNZ-UHFFFAOYSA-N -1 0 317.342 -0.262 20 0 DBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC001255235109 834606466 /nfs/dbraw/zinc/60/64/66/834606466.db2.gz XFWKCYVGIXTSSS-MRVPVSSYSA-N -1 0 308.743 -0.010 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccnn1CCF ZINC001194539526 834610297 /nfs/dbraw/zinc/61/02/97/834610297.db2.gz SBHDPZFPQHYRLD-QMMMGPOBSA-N -1 0 301.274 -0.011 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC001255532176 834612098 /nfs/dbraw/zinc/61/20/98/834612098.db2.gz WBVPOUFTDANQJD-UHFFFAOYSA-N -1 0 307.306 -0.225 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC001255532375 834612420 /nfs/dbraw/zinc/61/24/20/834612420.db2.gz ZJZWBCJEXPQENQ-UHFFFAOYSA-N -1 0 320.349 -0.310 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC001255994979 834617774 /nfs/dbraw/zinc/61/77/74/834617774.db2.gz ODENRQBETWKURJ-NWDGAFQWSA-N -1 0 311.338 -0.552 20 0 DBADRM COc1ncccc1S(=O)(=O)[N-]c1c(C(N)=O)cnn1C ZINC001194676965 834617879 /nfs/dbraw/zinc/61/78/79/834617879.db2.gz SXPBBFITGXBVIE-UHFFFAOYSA-N -1 0 311.323 -0.277 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cnn(Cc2ccncc2)c1 ZINC001256220497 834621722 /nfs/dbraw/zinc/62/17/22/834621722.db2.gz XGYBSFCQGAJNKV-UHFFFAOYSA-N -1 0 319.321 -0.041 20 0 DBADRM Nc1c2c(=O)nccc-2[n-]n1C(=O)c1cn(-c2cnccn2)cn1 ZINC001194732097 834626206 /nfs/dbraw/zinc/62/62/06/834626206.db2.gz ABYCSLLCHHTXCO-UHFFFAOYSA-N -1 0 322.288 -0.077 20 0 DBADRM Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC001194758245 834630020 /nfs/dbraw/zinc/63/00/20/834630020.db2.gz ULXPCJPFVXMJRM-UHFFFAOYSA-N -1 0 300.340 -0.228 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H](C)c1nnc2n1CCC2 ZINC001256956331 834639581 /nfs/dbraw/zinc/63/95/81/834639581.db2.gz RYRTVOPYISGKHL-VIFPVBQESA-N -1 0 311.342 -0.514 20 0 DBADRM Cc1nn(C)c(C)c1CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001257118013 834643038 /nfs/dbraw/zinc/64/30/38/834643038.db2.gz DHIOCLPPUFDMGW-LLVKDONJSA-N -1 0 310.354 -0.263 20 0 DBADRM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NC(CO)CO)C(=O)C2 ZINC001258974509 834689365 /nfs/dbraw/zinc/68/93/65/834689365.db2.gz JROHFRYXZZBYDR-ZANVPECISA-N -1 0 305.396 -0.346 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]c2cncc(N3CCOCC3)n2)c1 ZINC001258992827 834690023 /nfs/dbraw/zinc/69/00/23/834690023.db2.gz DVMZWIAEVQCHGW-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM CCOC(=O)c1nonc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC001258992755 834690150 /nfs/dbraw/zinc/69/01/50/834690150.db2.gz JRGNCNTYUKHLCH-UHFFFAOYSA-N -1 0 301.284 -0.219 20 0 DBADRM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N[C@@H]1CO[N-]C1=O)C(=O)C2 ZINC001258988664 834690438 /nfs/dbraw/zinc/69/04/38/834690438.db2.gz RRZOIJOGSBFUDU-JRKPZEMJSA-N -1 0 316.379 -0.269 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1nccnc1N1CCOCC1 ZINC001259018032 834692293 /nfs/dbraw/zinc/69/22/93/834692293.db2.gz PSXMRZFLUBNEEF-UHFFFAOYSA-N -1 0 316.339 -0.772 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cncc(N2CCOCC2)n1 ZINC001259018136 834692782 /nfs/dbraw/zinc/69/27/82/834692782.db2.gz VJIFHKRLKVXXOA-UHFFFAOYSA-N -1 0 316.339 -0.772 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cc2n(n1)CC(F)(F)CO2 ZINC001259020321 834693709 /nfs/dbraw/zinc/69/37/09/834693709.db2.gz PBBDVCHTWRRIHR-UHFFFAOYSA-N -1 0 311.266 -0.175 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cccc2c1OCC(=O)N2 ZINC001259024014 834695277 /nfs/dbraw/zinc/69/52/77/834695277.db2.gz AFHRTFZKLKRSAV-UHFFFAOYSA-N -1 0 300.292 -0.068 20 0 DBADRM CONC(=O)c1ccccc1[N-]S(=O)(=O)CC(=O)OC ZINC001259026752 834696161 /nfs/dbraw/zinc/69/61/61/834696161.db2.gz BKKUUACYCBNFKN-UHFFFAOYSA-N -1 0 302.308 -0.108 20 0 DBADRM COC(=O)CS(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)OC ZINC001259030241 834696196 /nfs/dbraw/zinc/69/61/96/834696196.db2.gz RWHFGQNQGFOYGY-QMMMGPOBSA-N -1 0 311.356 -0.565 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1ccc(OC)cc1C(N)=O ZINC001259026427 834696571 /nfs/dbraw/zinc/69/65/71/834696571.db2.gz UKZJAAYASQZJMD-UHFFFAOYSA-N -1 0 302.308 -0.291 20 0 DBADRM CCOC(=O)c1ccncc1S(=O)(=O)[N-]c1nnnn1C ZINC001195590095 834704528 /nfs/dbraw/zinc/70/45/28/834704528.db2.gz IURLDGVXVBCCKB-UHFFFAOYSA-N -1 0 312.311 -0.417 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2cnc(OC3COC3)nc2)cn1 ZINC001259820656 834707591 /nfs/dbraw/zinc/70/75/91/834707591.db2.gz ISUDBKCDPHXDCC-UHFFFAOYSA-N -1 0 311.323 -0.212 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)cnn2C)cn1 ZINC001195684567 834715129 /nfs/dbraw/zinc/71/51/29/834715129.db2.gz LMOHLSWNTZPLET-UHFFFAOYSA-N -1 0 311.323 -0.277 20 0 DBADRM Cn1ccc(S(=O)(=O)[N-]c2ncnc3c2ncn3CCO)n1 ZINC001259938099 834715820 /nfs/dbraw/zinc/71/58/20/834715820.db2.gz CYZDKQGEIRIRBE-UHFFFAOYSA-N -1 0 323.338 -0.647 20 0 DBADRM Cn1ccc(S(=O)(=O)[N-]c2cnc(N3CCOCC3)nc2)n1 ZINC001259937816 834715841 /nfs/dbraw/zinc/71/58/41/834715841.db2.gz SQCAKGUFIVLOOH-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)c1ccn(C)n1)C(F)(F)F ZINC001259947181 834717270 /nfs/dbraw/zinc/71/72/70/834717270.db2.gz BCERKIXWDPAHLE-LURJTMIESA-N -1 0 301.246 -0.198 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccnc(C(N)=O)c1 ZINC001260105674 834726056 /nfs/dbraw/zinc/72/60/56/834726056.db2.gz ODYICBIJJJKPNO-UHFFFAOYSA-N -1 0 309.351 -0.246 20 0 DBADRM CC[C@H]([N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1)C(N)=O ZINC001260166232 834727728 /nfs/dbraw/zinc/72/77/28/834727728.db2.gz ANNXEUVOYQZIOB-YFKPBYRVSA-N -1 0 318.746 -0.680 20 0 DBADRM O=S(=O)([N-][C@@H]1COC[C@@H]1F)c1nc2nc(Cl)ccn2n1 ZINC001260181910 834729945 /nfs/dbraw/zinc/72/99/45/834729945.db2.gz POSMVWJGAOJNBR-NTSWFWBYSA-N -1 0 321.721 -0.207 20 0 DBADRM COC(=O)C1(NS(=O)(=O)c2cccc(C(=O)[O-])c2)COC1 ZINC001260191989 834730204 /nfs/dbraw/zinc/73/02/04/834730204.db2.gz NSCYTEPISZXJAQ-UHFFFAOYSA-N -1 0 315.303 -0.395 20 0 DBADRM C[C@H](CO)C[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260178657 834730326 /nfs/dbraw/zinc/73/03/26/834730326.db2.gz KVNLTSGJTKJGBF-LURJTMIESA-N -1 0 305.747 -0.316 20 0 DBADRM O=C1C[C@H]([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)CO1 ZINC001260179290 834730528 /nfs/dbraw/zinc/73/05/28/834730528.db2.gz GXXOFZUKUDHWCQ-YFKPBYRVSA-N -1 0 317.714 -0.629 20 0 DBADRM C[C@@H](O)CC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260181010 834730586 /nfs/dbraw/zinc/73/05/86/834730586.db2.gz HJERSZCWZXDHAL-ZCFIWIBFSA-N -1 0 305.747 -0.173 20 0 DBADRM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260180628 834730686 /nfs/dbraw/zinc/73/06/86/834730686.db2.gz UVNWBEYREDTUPP-YFKPBYRVSA-N -1 0 318.746 -0.810 20 0 DBADRM O=S(=O)([N-]C[C@H](O)CF)c1nc2nc(Cl)ccn2n1 ZINC001260181357 834730766 /nfs/dbraw/zinc/73/07/66/834730766.db2.gz FMQKGMBKLMWEFZ-RXMQYKEDSA-N -1 0 309.710 -0.614 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC2CC(CO)(CO)C2)cc1 ZINC001260229845 834731094 /nfs/dbraw/zinc/73/10/94/834731094.db2.gz MLMNMFKGXUDYSM-UHFFFAOYSA-N -1 0 315.347 -0.204 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)NC[C@@H]2CNC(=O)CO2)c1 ZINC001260193134 834731107 /nfs/dbraw/zinc/73/11/07/834731107.db2.gz ZFKUMMJNLQSSJC-VIFPVBQESA-N -1 0 314.319 -0.822 20 0 DBADRM NC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC001260225299 834731172 /nfs/dbraw/zinc/73/11/72/834731172.db2.gz RRDUNNJLUHMAHB-UHFFFAOYSA-N -1 0 313.335 -0.230 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N2C[C@H](O)C[C@@H]2CO)c1 ZINC001260218287 834731352 /nfs/dbraw/zinc/73/13/52/834731352.db2.gz BQASAGNLUKZDPD-RKDXNWHRSA-N -1 0 319.310 -0.360 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC2CN(C3COC3)C2)cc1 ZINC001260232257 834731401 /nfs/dbraw/zinc/73/14/01/834731401.db2.gz FLEHQCGOZMOVHS-UHFFFAOYSA-N -1 0 312.347 -0.254 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCN2C(=O)C=CC2=O)cc1 ZINC001260229989 834731645 /nfs/dbraw/zinc/73/16/45/834731645.db2.gz WXWIJUAPAXWULU-UHFFFAOYSA-N -1 0 324.314 -0.412 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCN2CCNC2=O)cc1 ZINC001260221379 834731676 /nfs/dbraw/zinc/73/16/76/834731676.db2.gz PJLGLTOAQXBVCJ-UHFFFAOYSA-N -1 0 313.335 -0.312 20 0 DBADRM COC(=O)C1(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)COC1 ZINC001260229601 834731717 /nfs/dbraw/zinc/73/17/17/834731717.db2.gz CSGZMIYLBZSUKA-UHFFFAOYSA-N -1 0 315.303 -0.395 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N[C@H]2COCC[C@@H]2O)c1 ZINC001260217850 834731799 /nfs/dbraw/zinc/73/17/99/834731799.db2.gz IBRJKKWCVNSOFS-UWVGGRQHSA-N -1 0 319.310 -0.048 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1 ZINC001260401035 834732448 /nfs/dbraw/zinc/73/24/48/834732448.db2.gz RUABXLHGUWUUKY-UHFFFAOYSA-N -1 0 300.292 -0.613 20 0 DBADRM CC(=O)OCCNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260405077 834733324 /nfs/dbraw/zinc/73/33/24/834733324.db2.gz OHIDBGJKOARBJA-UHFFFAOYSA-N -1 0 303.292 -0.068 20 0 DBADRM NC(=O)c1ncc([N-]S(=O)(=O)c2cccc3nonc32)cn1 ZINC001260436190 834733633 /nfs/dbraw/zinc/73/36/33/834733633.db2.gz RDQKDELXVJFMCW-UHFFFAOYSA-N -1 0 320.290 -0.088 20 0 DBADRM CNC(=O)c1nccnc1[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC001260543482 834734484 /nfs/dbraw/zinc/73/44/84/834734484.db2.gz ZSKZYBXCZVUTPK-UHFFFAOYSA-N -1 0 310.339 -0.321 20 0 DBADRM Cc1nc(S(=O)(=O)NCCCC[P@@](=O)([O-])O)cn1C ZINC001260551206 834735225 /nfs/dbraw/zinc/73/52/25/834735225.db2.gz QZFNUXFXVNEISO-UHFFFAOYSA-N -1 0 311.300 -0.035 20 0 DBADRM COc1ccc([N-]S(=O)(=O)CS(C)(=O)=O)nc1OC ZINC001260583453 834736515 /nfs/dbraw/zinc/73/65/15/834736515.db2.gz FHBRQBMWJXQEEP-UHFFFAOYSA-N -1 0 310.353 -0.157 20 0 DBADRM Cc1cc(C(N)=O)c([N-]S(=O)(=O)CS(C)(=O)=O)s1 ZINC001260584117 834736653 /nfs/dbraw/zinc/73/66/53/834736653.db2.gz UIPPMRLHYTXSJA-UHFFFAOYSA-N -1 0 312.394 -0.101 20 0 DBADRM CCOC(=O)c1cnoc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260583596 834736898 /nfs/dbraw/zinc/73/68/98/834736898.db2.gz GMFPSXNLENWANQ-UHFFFAOYSA-N -1 0 312.325 -0.405 20 0 DBADRM CN(C)CCn1cc([N-]S(=O)(=O)CS(C)(=O)=O)cn1 ZINC001260583095 834736936 /nfs/dbraw/zinc/73/69/36/834736936.db2.gz MZGDLRSUAPWWDR-UHFFFAOYSA-N -1 0 310.401 -0.812 20 0 DBADRM CC(=O)Nc1cncc([N-]S(=O)(=O)CS(C)(=O)=O)c1 ZINC001260584859 834737549 /nfs/dbraw/zinc/73/75/49/834737549.db2.gz CQYVLSROWCNRCJ-UHFFFAOYSA-N -1 0 307.353 -0.216 20 0 DBADRM COC(=O)c1ccnc(C)c1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260585273 834737896 /nfs/dbraw/zinc/73/78/96/834737896.db2.gz XAEGNOKNBAQPDB-UHFFFAOYSA-N -1 0 322.364 -0.080 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1nc(F)ccc1C(N)=O ZINC001195942218 834738367 /nfs/dbraw/zinc/73/83/67/834738367.db2.gz LFXVTQYWHNMISM-UHFFFAOYSA-N -1 0 305.287 -0.376 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cc(C(=O)OC)nn1C ZINC001195939459 834738468 /nfs/dbraw/zinc/73/84/68/834738468.db2.gz ZLEOHWMRNDTKAD-UHFFFAOYSA-N -1 0 305.312 -0.489 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1ccc2c(c1)CNC2=O ZINC001260590535 834739740 /nfs/dbraw/zinc/73/97/40/834739740.db2.gz HCQQMEXEXBBYCO-UHFFFAOYSA-N -1 0 304.349 -0.326 20 0 DBADRM Cc1ccc(C(N)=O)cc1NS(=O)(=O)CS(C)(=O)=O ZINC001260591687 834740791 /nfs/dbraw/zinc/74/07/91/834740791.db2.gz GUQCZDOXBRYOKZ-UHFFFAOYSA-N -1 0 306.365 -0.162 20 0 DBADRM Cc1ccc2c(c1)[C@H](NS(=O)(=O)CS(C)(=O)=O)C(=O)N2 ZINC001260593170 834741026 /nfs/dbraw/zinc/74/10/26/834741026.db2.gz ABSFYIQFZNTILE-JTQLQIEISA-N -1 0 318.376 -0.090 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2nnnn2C)s1 ZINC001260699485 834744614 /nfs/dbraw/zinc/74/46/14/834744614.db2.gz FRYRAEILQDWKPD-UHFFFAOYSA-N -1 0 303.329 -0.574 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C1(C(=O)OC)CCOCC1 ZINC001195995185 834745077 /nfs/dbraw/zinc/74/50/77/834745077.db2.gz SSZHGPSFPMDTOH-UHFFFAOYSA-N -1 0 309.340 -0.809 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@]2(CO)CCOC2)s1 ZINC001260711691 834745569 /nfs/dbraw/zinc/74/55/69/834745569.db2.gz QZTUSPPFDJMJAG-JTQLQIEISA-N -1 0 321.380 -0.469 20 0 DBADRM CN1CCN(c2ncc([N-]S(=O)(=O)c3cn[nH]c3)cn2)CC1 ZINC001260953985 834747130 /nfs/dbraw/zinc/74/71/30/834747130.db2.gz CWUIFWXKHFKVSX-UHFFFAOYSA-N -1 0 323.382 -0.248 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-][C@@](C)(C(=O)OC)C(F)(F)F ZINC001196004950 834747434 /nfs/dbraw/zinc/74/74/34/834747434.db2.gz SNMDNLGHDBYOFD-QMMMGPOBSA-N -1 0 321.273 -0.037 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001261083933 834751173 /nfs/dbraw/zinc/75/11/73/834751173.db2.gz UCQWUPVXXNFUHJ-SDDRHHMPSA-N -1 0 316.354 -0.619 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1csc(CO)n1 ZINC001196384203 834782203 /nfs/dbraw/zinc/78/22/03/834782203.db2.gz NJGGQQFGPDHDQJ-LURJTMIESA-N -1 0 302.308 -0.228 20 0 DBADRM CS(=O)(=O)c1cccc(C(=O)N[C@H]2SC(=O)[N-]C2=O)n1 ZINC001196415572 834785070 /nfs/dbraw/zinc/78/50/70/834785070.db2.gz DHGVRZQVWYSOKK-VIFPVBQESA-N -1 0 315.332 -0.476 20 0 DBADRM CC(C)[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O ZINC001196560592 834792223 /nfs/dbraw/zinc/79/22/23/834792223.db2.gz UBLOUZBGVRRHIA-HBNTYKKESA-N -1 0 311.386 -0.938 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCCN(CC(F)F)CC1 ZINC001261488623 834793562 /nfs/dbraw/zinc/79/35/62/834793562.db2.gz VKIFLZDQSVLAKT-UHFFFAOYSA-N -1 0 321.324 -0.233 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1cccc(C(=O)OC)n1 ZINC001261513098 834796622 /nfs/dbraw/zinc/79/66/22/834796622.db2.gz JSXGAQSCQIFVGY-UHFFFAOYSA-N -1 0 311.294 -0.109 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC001261515120 834797542 /nfs/dbraw/zinc/79/75/42/834797542.db2.gz XKFCHISXBSYEFO-UHFFFAOYSA-N -1 0 309.326 -0.969 20 0 DBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)Nc1c(N)c(=O)c1=O ZINC001196721544 834800174 /nfs/dbraw/zinc/80/01/74/834800174.db2.gz MXFIKRRGTAUYLC-UHFFFAOYSA-N -1 0 315.332 -0.450 20 0 DBADRM NC(=O)C1(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CC1 ZINC001261531161 834801383 /nfs/dbraw/zinc/80/13/83/834801383.db2.gz XZJOJKNQEQFOHJ-VIFPVBQESA-N -1 0 323.349 -0.824 20 0 DBADRM CCC(CO)(CO)NC(=O)c1sccc1[N-]S(C)(=O)=O ZINC001196738697 834802881 /nfs/dbraw/zinc/80/28/81/834802881.db2.gz DPBYUOQLVQDSON-UHFFFAOYSA-N -1 0 322.408 -0.017 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC001261536874 834803086 /nfs/dbraw/zinc/80/30/86/834803086.db2.gz BYMXPRWLZVUQDF-WDEREUQCSA-N -1 0 315.370 -0.510 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccccc1OC ZINC001261543522 834805136 /nfs/dbraw/zinc/80/51/36/834805136.db2.gz QGHGFHXSGUSSDH-UHFFFAOYSA-N -1 0 323.349 -0.163 20 0 DBADRM CCOCCN1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC001261555142 834806828 /nfs/dbraw/zinc/80/68/28/834806828.db2.gz XJSJJGZKUMNCMD-NSHDSACASA-N -1 0 315.370 -0.996 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1nnc2n1CCCCC2)C(=O)[O-] ZINC001261554710 834807381 /nfs/dbraw/zinc/80/73/81/834807381.db2.gz LDDYRBIQHOLGDY-SECBINFHSA-N -1 0 323.353 -0.542 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1nnc2n1CCCCC2)C(=O)[O-] ZINC001261554711 834807528 /nfs/dbraw/zinc/80/75/28/834807528.db2.gz LDDYRBIQHOLGDY-VIFPVBQESA-N -1 0 323.353 -0.542 20 0 DBADRM CCOc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)nc1C ZINC001261600567 834812463 /nfs/dbraw/zinc/81/24/63/834812463.db2.gz JLFPAWMNHZWKKC-UHFFFAOYSA-N -1 0 305.298 -0.443 20 0 DBADRM COC(=O)CCCCS(=O)(=O)[N-]c1c(C(N)=O)cnn1C ZINC001196915005 834817169 /nfs/dbraw/zinc/81/71/69/834817169.db2.gz PQXSXPCUQUHKPK-UHFFFAOYSA-N -1 0 318.355 -0.396 20 0 DBADRM COC(=O)CCCCS(=O)(=O)[N-]c1nccnc1C(N)=O ZINC001196922581 834817958 /nfs/dbraw/zinc/81/79/58/834817958.db2.gz OBZWEKVTURNJIC-UHFFFAOYSA-N -1 0 316.339 -0.340 20 0 DBADRM CN1CC(=O)N(CC(=O)NC2(CC(=O)[O-])CCOCC2)C1=O ZINC001261646442 834826156 /nfs/dbraw/zinc/82/61/56/834826156.db2.gz JCFQGQWJXNBCDT-UHFFFAOYSA-N -1 0 313.310 -0.980 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCCOC(C)(C)C ZINC001261720458 834839051 /nfs/dbraw/zinc/83/90/51/834839051.db2.gz DDJQZVSZGUDOBW-UHFFFAOYSA-N -1 0 303.359 -0.508 20 0 DBADRM O=C(c1ccnc2ccnn21)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001261796183 834848841 /nfs/dbraw/zinc/84/88/41/834848841.db2.gz SBDFYYBMDOWIMG-SECBINFHSA-N -1 0 300.282 -0.544 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccn(C)c2=O)CC[C@H]1C(=O)[O-] ZINC001261810289 834852325 /nfs/dbraw/zinc/85/23/25/834852325.db2.gz XNBWYMVFGLIDCN-NXEZZACHSA-N -1 0 321.333 -0.107 20 0 DBADRM CCn1nnc(C)c1CNC(=O)c1c[n-]n2c1nccc2=O ZINC001261826848 834860140 /nfs/dbraw/zinc/86/01/40/834860140.db2.gz CWAMORDSHXUHLS-UHFFFAOYSA-N -1 0 301.310 -0.128 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)CC2)CC[C@H]1C(=O)[O-] ZINC001261837519 834861867 /nfs/dbraw/zinc/86/18/67/834861867.db2.gz GKPCBOKMEPJQND-WCQYABFASA-N -1 0 323.393 -0.138 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)CC2)CC[C@@H]1C(=O)[O-] ZINC001261837517 834861939 /nfs/dbraw/zinc/86/19/39/834861939.db2.gz GKPCBOKMEPJQND-AAEUAGOBSA-N -1 0 323.393 -0.138 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCn3cncc3C2)C1 ZINC001261874668 834868887 /nfs/dbraw/zinc/86/88/87/834868887.db2.gz GQJSADXJKXIGQZ-SNVBAGLBSA-N -1 0 306.322 -0.452 20 0 DBADRM CCN(C)c1ccccc1CNC(=O)C(=O)NCC(=O)[N-]OC ZINC001262251665 834924814 /nfs/dbraw/zinc/92/48/14/834924814.db2.gz XVJZAUKURHKMME-UHFFFAOYSA-N -1 0 322.365 -0.447 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCC1SCCS1 ZINC001262294875 834929557 /nfs/dbraw/zinc/92/95/57/834929557.db2.gz HUSSHLYTFURNJI-UHFFFAOYSA-N -1 0 307.397 -0.907 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001262312857 834932621 /nfs/dbraw/zinc/93/26/21/834932621.db2.gz OZGWXBMYBUXWPK-JLLWLGSASA-N -1 0 314.338 -0.867 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1cccc(OC)c1 ZINC001262314924 834933492 /nfs/dbraw/zinc/93/34/92/834933492.db2.gz AOJNNWYAANMBPR-UHFFFAOYSA-N -1 0 309.322 -0.553 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001262463904 834942593 /nfs/dbraw/zinc/94/25/93/834942593.db2.gz YLNNPIPHHCGCDV-WDEREUQCSA-N -1 0 310.358 -0.396 20 0 DBADRM NC(=O)CCCC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001198386843 834943076 /nfs/dbraw/zinc/94/30/76/834943076.db2.gz WZWJOEBTLDAIKJ-UHFFFAOYSA-N -1 0 310.358 -0.800 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1cnc(C)n1C ZINC001198414987 834945471 /nfs/dbraw/zinc/94/54/71/834945471.db2.gz FIWIXBYUSTVIKG-QMMMGPOBSA-N -1 0 319.339 -0.587 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001198749162 834966605 /nfs/dbraw/zinc/96/66/05/834966605.db2.gz GXWCLMHMAHZGIH-KOLCDFICSA-N -1 0 315.347 -0.251 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])[C@@H](C)O ZINC001198792175 834968158 /nfs/dbraw/zinc/96/81/58/834968158.db2.gz HFGHFBFYOKKURH-XCBNKYQSSA-N -1 0 317.319 -0.415 20 0 DBADRM COC(=O)C(NS(=O)(=O)c1ccccc1C(=O)[O-])=C(C)O ZINC001198802035 834969152 /nfs/dbraw/zinc/96/91/52/834969152.db2.gz RWLKIXYENOWFMH-SNVBAGLBSA-N -1 0 315.303 -0.206 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)NC1(CCO)COC1 ZINC001198798406 834969308 /nfs/dbraw/zinc/96/93/08/834969308.db2.gz ZREVOMGMEKUBER-UHFFFAOYSA-N -1 0 301.320 -0.186 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N[C@@]1(CO)CCOC1 ZINC001198807144 834969688 /nfs/dbraw/zinc/96/96/88/834969688.db2.gz DHCFOHUFGGTJEP-GFCCVEGCSA-N -1 0 301.320 -0.186 20 0 DBADRM CC[C@@H](NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[C@@H]1CCCO1 ZINC001263063570 834970678 /nfs/dbraw/zinc/97/06/78/834970678.db2.gz YOLUZAVZVJRQPM-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CCC[C@@H](OC3CCC3)C2)C[NH2+]CCO1 ZINC001263152524 834973926 /nfs/dbraw/zinc/97/39/26/834973926.db2.gz LMXKZPCELOAUFA-IUODEOHRSA-N -1 0 312.366 -0.010 20 0 DBADRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cncc(N2CCOCC2)c1 ZINC001199273217 835006309 /nfs/dbraw/zinc/00/63/09/835006309.db2.gz QZCBLMMXHUFHSB-GFCCVEGCSA-N -1 0 322.346 -0.043 20 0 DBADRM Nc1c2c(=O)nccc-2[n-]n1C(=O)c1cn(-c2ncccn2)cn1 ZINC001199557936 835033674 /nfs/dbraw/zinc/03/36/74/835033674.db2.gz BNBNBZQMAGLLRR-UHFFFAOYSA-N -1 0 322.288 -0.077 20 0 DBADRM O=C(NCCCc1c[nH][nH]c1=O)c1cn(-c2ncccn2)cn1 ZINC001199556138 835034141 /nfs/dbraw/zinc/03/41/41/835034141.db2.gz QAOHNCFCVOPWAJ-JTQLQIEISA-N -1 0 313.321 -0.096 20 0 DBADRM Cc1nnccc1C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001265007070 835071014 /nfs/dbraw/zinc/07/10/14/835071014.db2.gz BPYUMZKQLITSKU-UHFFFAOYSA-N -1 0 305.342 -0.139 20 0 DBADRM Cn1cnc2cc(C(=O)NCc3n[nH]c(=O)[n-]3)ccc2c1=O ZINC001201344956 835184888 /nfs/dbraw/zinc/18/48/88/835184888.db2.gz RTSNLJOVIDOMHY-UHFFFAOYSA-N -1 0 300.278 -0.313 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]c1cnn(C)c1C(N)=O ZINC001201903846 835217759 /nfs/dbraw/zinc/21/77/59/835217759.db2.gz JSTKRLNASYWXRQ-UHFFFAOYSA-N -1 0 304.328 -0.786 20 0 DBADRM COCCOCC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001266453293 835310086 /nfs/dbraw/zinc/31/00/86/835310086.db2.gz BUGQIOMVGJTCFS-JTQLQIEISA-N -1 0 313.358 -0.746 20 0 DBADRM CCOC(=O)CO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001204709276 835325490 /nfs/dbraw/zinc/32/54/90/835325490.db2.gz XUMBUQYSDNOLLA-JTQLQIEISA-N -1 0 311.356 -0.845 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC001266635504 835350113 /nfs/dbraw/zinc/35/01/13/835350113.db2.gz IIMPIEUIXBHJIH-UHFFFAOYSA-N -1 0 315.268 -0.431 20 0 DBADRM CCCC(=O)NCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001206372651 835394895 /nfs/dbraw/zinc/39/48/95/835394895.db2.gz QFRFLODELFLNGN-NXEZZACHSA-N -1 0 324.385 -0.637 20 0 DBADRM Cc1nc(CNCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001267018078 835429792 /nfs/dbraw/zinc/42/97/92/835429792.db2.gz XJBUZYHEBZGLBG-UHFFFAOYSA-N -1 0 310.314 -0.766 20 0 DBADRM CNC(=O)C1(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)CC1 ZINC001267278962 835475254 /nfs/dbraw/zinc/47/52/54/835475254.db2.gz URNPFUUUHDQKHP-VIFPVBQESA-N -1 0 322.369 -0.883 20 0 DBADRM CCOCCOCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001267735604 835582577 /nfs/dbraw/zinc/58/25/77/835582577.db2.gz XJEFFHXGENLGQL-JTQLQIEISA-N -1 0 313.358 -0.746 20 0 DBADRM CN(C(=O)C(=O)NCC1CC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001267775245 835594494 /nfs/dbraw/zinc/59/44/94/835594494.db2.gz PTNRAJGFCHWKST-SNVBAGLBSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C(=O)C(=O)NCC1CC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001267775243 835595225 /nfs/dbraw/zinc/59/52/25/835595225.db2.gz PTNRAJGFCHWKST-JTQLQIEISA-N -1 0 322.369 -0.931 20 0 DBADRM NC(=O)CCCCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001268229575 835641051 /nfs/dbraw/zinc/64/10/51/835641051.db2.gz VBBLIXMEFVOVNH-JTQLQIEISA-N -1 0 324.385 -0.363 20 0 DBADRM Cn1cc(CC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cn1 ZINC001268526359 835716849 /nfs/dbraw/zinc/71/68/49/835716849.db2.gz VPEZGQGXWORCLT-NSCUHMNNSA-N -1 0 305.342 -0.752 20 0 DBADRM Cn1cc(CC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cn1 ZINC001268526358 835717475 /nfs/dbraw/zinc/71/74/75/835717475.db2.gz VPEZGQGXWORCLT-IHWYPQMZSA-N -1 0 305.342 -0.752 20 0 DBADRM O=C(Cn1ccccc1=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001268623581 835756871 /nfs/dbraw/zinc/75/68/71/835756871.db2.gz PCAOJFQXVJPLLR-NSCUHMNNSA-N -1 0 318.337 -0.866 20 0 DBADRM CN(CC(=O)N1CCCC1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000321465562 970774270 /nfs/dbraw/zinc/77/42/70/970774270.db2.gz CTQHYGBXEQZJIT-UHFFFAOYSA-N -1 0 324.341 -0.760 20 0 DBADRM COc1ccccc1OCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000321812189 970811306 /nfs/dbraw/zinc/81/13/06/970811306.db2.gz BWTMTTHMMUIUGM-SNVBAGLBSA-N -1 0 322.317 -0.124 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cc1cn2ccccc2n1 ZINC000321997453 970835315 /nfs/dbraw/zinc/83/53/15/970835315.db2.gz MRLYKUWBQVYLIK-NSHDSACASA-N -1 0 316.317 -0.322 20 0 DBADRM NC(=O)CN1CCCN(C(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000322420250 970885431 /nfs/dbraw/zinc/88/54/31/970885431.db2.gz VLSFBESVJJSDJU-UHFFFAOYSA-N -1 0 319.361 -0.053 20 0 DBADRM Cn1ncc(Br)c1CC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001601020054 970908419 /nfs/dbraw/zinc/90/84/19/970908419.db2.gz WDPYIGUBKRWQJS-JTQLQIEISA-N -1 0 320.143 -0.323 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)cc1 ZINC000323059330 970962974 /nfs/dbraw/zinc/96/29/74/970962974.db2.gz KRGBTSMCMQFZEJ-MNOVXSKESA-N -1 0 301.320 -0.648 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)ccc1C(=O)[O-] ZINC000323104638 970967371 /nfs/dbraw/zinc/96/73/71/970967371.db2.gz WFBQKFNPGWRAGF-MNOVXSKESA-N -1 0 301.320 -0.269 20 0 DBADRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1COC[C@H]1O ZINC000323362096 970994883 /nfs/dbraw/zinc/99/48/83/970994883.db2.gz CQONHLLWWOMUGA-NXEZZACHSA-N -1 0 319.310 -0.130 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC001601575565 971023563 /nfs/dbraw/zinc/02/35/63/971023563.db2.gz RHXYHNIECLFUKK-OPVBNTEQSA-N -1 0 324.255 -0.509 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000323927715 971060529 /nfs/dbraw/zinc/06/05/29/971060529.db2.gz OVZYIOWQBHNPQJ-ZJUUUORDSA-N -1 0 306.384 -0.006 20 0 DBADRM CC(=O)N1CCO[C@H]([C@@H](C)Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573451752 945844112 /nfs/dbraw/zinc/84/41/12/945844112.db2.gz ZOPQCJJGDMLHLG-SCZZXKLOSA-N -1 0 318.341 -0.874 20 0 DBADRM CC(=O)NC1(CNc2ccnc(-c3nnn[n-]3)n2)CCOCC1 ZINC001573488558 946268446 /nfs/dbraw/zinc/26/84/46/946268446.db2.gz CPCOSTNESWTPNJ-UHFFFAOYSA-N -1 0 318.341 -0.824 20 0 DBADRM CC(=O)NCCN(C)C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001573529106 946671997 /nfs/dbraw/zinc/67/19/97/946671997.db2.gz KSTGWNADCZBTGP-UHFFFAOYSA-N -1 0 319.325 -0.516 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H]2OCC[C@@H]2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573646817 947879882 /nfs/dbraw/zinc/87/98/82/947879882.db2.gz WUZKSBMYDQHUSM-AEJSXWLSSA-N -1 0 318.341 -0.343 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H]2OCC[C@@H]2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573646818 947879957 /nfs/dbraw/zinc/87/99/57/947879957.db2.gz WUZKSBMYDQHUSM-BBBLOLIVSA-N -1 0 318.341 -0.343 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CC12CCOCC2)n1cnc(-c2nnn[n-]2)n1 ZINC001573667465 948098957 /nfs/dbraw/zinc/09/89/57/948098957.db2.gz ZTYYYYBBCRXLTL-RKDXNWHRSA-N -1 0 318.341 -0.296 20 0 DBADRM CC(=O)N1CC[C@@H](C)[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573435537 948232104 /nfs/dbraw/zinc/23/21/04/948232104.db2.gz YIOCQLJCISOKFG-KOLCDFICSA-N -1 0 316.369 -0.005 20 0 DBADRM C[C@H](C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C1CC1 ZINC001573717263 948505751 /nfs/dbraw/zinc/50/57/51/948505751.db2.gz KVHQCLGEVPBJDS-ZETCQYMHSA-N -1 0 319.325 -0.709 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001570918568 948577206 /nfs/dbraw/zinc/57/72/06/948577206.db2.gz HBNCJCZZVFGZRY-ZJUUUORDSA-N -1 0 314.353 -0.039 20 0 DBADRM CN(Cc1ccccn1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001570920326 948597134 /nfs/dbraw/zinc/59/71/34/948597134.db2.gz JRBVIVQIRUFEGN-UHFFFAOYSA-N -1 0 314.309 -0.715 20 0 DBADRM CC(C)C(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001570921246 948616535 /nfs/dbraw/zinc/61/65/35/948616535.db2.gz SFCZEZGYNOGRBX-VHSXEESVSA-N -1 0 316.369 -0.007 20 0 DBADRM COC(=O)c1coc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)c1 ZINC001570921527 948622006 /nfs/dbraw/zinc/62/20/06/948622006.db2.gz DKFLYRXPNRGXDH-UHFFFAOYSA-N -1 0 318.249 -0.443 20 0 DBADRM COCn1cc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)cn1 ZINC001570922241 948636882 /nfs/dbraw/zinc/63/68/82/948636882.db2.gz XHWKWCJXJXKURA-ZETCQYMHSA-N -1 0 318.301 -0.542 20 0 DBADRM O=C(COCC1CCCC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001570922822 948646720 /nfs/dbraw/zinc/64/67/20/948646720.db2.gz NLCIVTVZLGQMJD-UHFFFAOYSA-N -1 0 320.357 -0.219 20 0 DBADRM C[C@H](C(=O)N[C@]12CCC[C@H]1OCC2)n1cnc(-c2nnn[n-]2)n1 ZINC001573755356 948762860 /nfs/dbraw/zinc/76/28/60/948762860.db2.gz CDCZURZVVHWKLM-KKFJDGPESA-N -1 0 318.341 -0.153 20 0 DBADRM O=C([O-])c1cc(NC(=O)Cn2ccc(=O)[nH]c2=O)ccc1O ZINC000001592676 948765367 /nfs/dbraw/zinc/76/53/67/948765367.db2.gz XDFSXRRXDXLSBM-UHFFFAOYSA-N -1 0 305.246 -0.421 20 0 DBADRM CC[C@H](CO)N(C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589555109 948782500 /nfs/dbraw/zinc/78/25/00/948782500.db2.gz GWYRCJHPJBPZBQ-MNOVXSKESA-N -1 0 315.370 -0.136 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001589555278 948786343 /nfs/dbraw/zinc/78/63/43/948786343.db2.gz OPXBWANBDZZOMD-IUCAKERBSA-N -1 0 309.388 -0.324 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@@H](CC)C(=O)[O-] ZINC001589555508 948788993 /nfs/dbraw/zinc/78/89/93/948788993.db2.gz UYEDXRZXEOJVSN-RKDXNWHRSA-N -1 0 309.388 -0.276 20 0 DBADRM CC[C@@](COC)(N[C@H]1CCN(CC(=O)[O-])C1=O)C(=O)OC ZINC001589558979 948805462 /nfs/dbraw/zinc/80/54/62/948805462.db2.gz YKHAIVZNPQHYAS-ZANVPECISA-N -1 0 302.327 -0.770 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2sccc2C(=O)[O-])c1=O ZINC000036976935 948823286 /nfs/dbraw/zinc/82/32/86/948823286.db2.gz WVCAJPMUHSLFLI-UHFFFAOYSA-N -1 0 309.303 -0.055 20 0 DBADRM C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1nncn1C ZINC000037657037 948840802 /nfs/dbraw/zinc/84/08/02/948840802.db2.gz VRZHXFGJRATCCN-QMMMGPOBSA-N -1 0 317.371 -0.493 20 0 DBADRM CC(C)[C@@H](O)CCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001574082736 948864813 /nfs/dbraw/zinc/86/48/13/948864813.db2.gz IIGFBBULOCATQA-QMMMGPOBSA-N -1 0 323.357 -0.917 20 0 DBADRM C[C@H](CN(C)S(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000050351186 948918898 /nfs/dbraw/zinc/91/88/98/948918898.db2.gz OEVXOZKHGARLFY-MRVPVSSYSA-N -1 0 313.397 -0.454 20 0 DBADRM CC[C@](O)(CN1CCS(=O)(=O)C[C@H]1C(=O)[O-])C(F)(F)F ZINC001589573132 948920364 /nfs/dbraw/zinc/92/03/64/948920364.db2.gz JXJHGFRRPSYPCK-CBAPKCEASA-N -1 0 319.301 -0.127 20 0 DBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC(C(=O)[O-])C1 ZINC000071173088 948990204 /nfs/dbraw/zinc/99/02/04/948990204.db2.gz GXOZUKBHQKVDCQ-VIFPVBQESA-N -1 0 324.424 -0.410 20 0 DBADRM CC[C@H](OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)[O-] ZINC001589578853 948993989 /nfs/dbraw/zinc/99/39/89/948993989.db2.gz QMVSDTNDTJKUQF-VIFPVBQESA-N -1 0 321.289 -0.348 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)NC(C)(C)CC(=O)[O-] ZINC000084145931 949042384 /nfs/dbraw/zinc/04/23/84/949042384.db2.gz SAYOQUSHUSCSRO-UHFFFAOYSA-N -1 0 303.340 -0.344 20 0 DBADRM CC[C@](C)(NC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000362338921 971534982 /nfs/dbraw/zinc/53/49/82/971534982.db2.gz HMYRONNMIOZODZ-ZDUSSCGKSA-N -1 0 307.310 -0.501 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)c1ncn(C)n1)n1cnc(-c2nnn[n-]2)n1 ZINC001575250380 949113456 /nfs/dbraw/zinc/11/34/56/949113456.db2.gz FVKHKARLHDLVHJ-NKWVEPMBSA-N -1 0 317.317 -0.975 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000097090933 949204357 /nfs/dbraw/zinc/20/43/57/949204357.db2.gz MXPMTYTVIZTEOH-ZJUUUORDSA-N -1 0 319.383 -0.474 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3CCOC[C@]3(CO)C2)nc1 ZINC001595215193 949211139 /nfs/dbraw/zinc/21/11/39/949211139.db2.gz JXUARCLNWOGSGH-OAHLLOKOSA-N -1 0 321.333 -0.701 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@H](CO)CN2CCOCC2)cc1 ZINC001595215490 949219697 /nfs/dbraw/zinc/21/96/97/949219697.db2.gz KBCWQSVYDFLXCF-ZDUSSCGKSA-N -1 0 308.334 -0.192 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCN2CCC3(C2)OCCO3)nc1 ZINC001595220633 949235625 /nfs/dbraw/zinc/23/56/25/949235625.db2.gz YCLAATCSNHKMCQ-UHFFFAOYSA-N -1 0 321.333 -0.042 20 0 DBADRM O=C([O-])c1ccc(C=CC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)o1 ZINC001595226685 949304812 /nfs/dbraw/zinc/30/48/12/949304812.db2.gz NZUZEXZPVAZEFS-HDMKULJXSA-N -1 0 319.273 -0.246 20 0 DBADRM CC[C@]1(C2CC2)NC(=O)N(CN2CCO[C@@H](C(=O)[O-])C2)C1=O ZINC001589610540 949316419 /nfs/dbraw/zinc/31/64/19/949316419.db2.gz IHZMSKQDCSYSEQ-QMTHXVAHSA-N -1 0 311.338 -0.160 20 0 DBADRM CC[C@@]1(C2CC2)NC(=O)N(CN2CCO[C@@H](C(=O)[O-])C2)C1=O ZINC001589610541 949317085 /nfs/dbraw/zinc/31/70/85/949317085.db2.gz IHZMSKQDCSYSEQ-YGRLFVJLSA-N -1 0 311.338 -0.160 20 0 DBADRM C[C@@H]1C(=O)CCCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001575863769 949353729 /nfs/dbraw/zinc/35/37/29/949353729.db2.gz FDSDZYRTOMFBKV-MRVPVSSYSA-N -1 0 319.329 -0.779 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)N(OC)[C@H](C)C(=O)[O-])C1=O ZINC001589614885 949354530 /nfs/dbraw/zinc/35/45/30/949354530.db2.gz AXVMQWGFGMWVAQ-MRVPVSSYSA-N -1 0 315.326 -0.040 20 0 DBADRM C[C@H]1CCC[C@H]1NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576155666 949414213 /nfs/dbraw/zinc/41/42/13/949414213.db2.gz JYYAXVGUTUDBSO-IONNQARKSA-N -1 0 319.325 -0.566 20 0 DBADRM CC(C)CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574116991 949441215 /nfs/dbraw/zinc/44/12/15/949441215.db2.gz IVVRJFOOZQPKPH-VIFPVBQESA-N -1 0 320.357 -0.986 20 0 DBADRM CC[C@@H]1CN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C[C@@H](C)[S@]1=O ZINC001589624908 949463842 /nfs/dbraw/zinc/46/38/42/949463842.db2.gz PGXPJSJJIFZNIT-TWWDXIGWSA-N -1 0 302.352 -0.026 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C[C@H]1O ZINC001589625243 949470344 /nfs/dbraw/zinc/47/03/44/949470344.db2.gz YYPWXAHDZMHLDC-RKDXNWHRSA-N -1 0 310.310 -0.865 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1C[C@H]1C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574955137 949563295 /nfs/dbraw/zinc/56/32/95/949563295.db2.gz BIBJRRBGGAHNHM-IVZWLZJFSA-N -1 0 316.369 -0.101 20 0 DBADRM C[S@](=O)CCCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000229337911 949650206 /nfs/dbraw/zinc/65/02/06/949650206.db2.gz QAZOSBWRIAPDMF-FQEVSTJZSA-N -1 0 306.384 -0.064 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2CCC[C@@H]2CO)CC1 ZINC000231286816 949749463 /nfs/dbraw/zinc/74/94/63/949749463.db2.gz IDACTPSZEDQIRV-GHMZBOCLSA-N -1 0 306.384 -0.222 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCc3c(=O)[nH]cnc3C2)cn1 ZINC001595267256 949763556 /nfs/dbraw/zinc/76/35/56/949763556.db2.gz DMMNXJUPHXALDO-UHFFFAOYSA-N -1 0 301.262 -0.131 20 0 DBADRM O=C([O-])c1cnc(C(=O)N[C@H]2C(=O)NCC23CCOCC3)cn1 ZINC001595267846 949775883 /nfs/dbraw/zinc/77/58/83/949775883.db2.gz LOHLJKHSTJDUKE-JTQLQIEISA-N -1 0 320.305 -0.800 20 0 DBADRM CCCCS(=O)(=O)CC(=O)NC1(C(=O)[O-])CCOCC1 ZINC001589654458 949803112 /nfs/dbraw/zinc/80/31/12/949803112.db2.gz HVHOURRVXDRWRC-UHFFFAOYSA-N -1 0 307.368 -0.049 20 0 DBADRM CCCN(C)C(=O)[C@H]1CSCN1C(=O)[C@H](OC)C(=O)[O-] ZINC001589659132 949836955 /nfs/dbraw/zinc/83/69/55/949836955.db2.gz FHHLPYXFEDRBDZ-BDAKNGLRSA-N -1 0 304.368 -0.144 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CNC(=O)c1ccccc1)C(=O)[O-] ZINC000379196952 971612916 /nfs/dbraw/zinc/61/29/16/971612916.db2.gz WVPGYSHAYYDFDE-SNVBAGLBSA-N -1 0 308.290 -0.451 20 0 DBADRM CCCN([C@@H]1CCN(CC(=O)[O-])C1=O)[C@@H]1CC(=O)N(C)C1=O ZINC001589660583 949864725 /nfs/dbraw/zinc/86/47/25/949864725.db2.gz QMPCEUMACDSGOZ-NXEZZACHSA-N -1 0 311.338 -0.859 20 0 DBADRM CCCN([C@@H]1CCN(CC(=O)[O-])C1=O)[C@H]1CC(=O)N(C)C1=O ZINC001589660586 949865040 /nfs/dbraw/zinc/86/50/40/949865040.db2.gz QMPCEUMACDSGOZ-ZJUUUORDSA-N -1 0 311.338 -0.859 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC001589666091 949894970 /nfs/dbraw/zinc/89/49/70/949894970.db2.gz JMSNOBNCLYUQSS-UHFFFAOYSA-N -1 0 301.324 -0.334 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001589670577 949934280 /nfs/dbraw/zinc/93/42/80/949934280.db2.gz HEJCNHNDGGQFQK-KRWDZBQOSA-N -1 0 301.390 -0.398 20 0 DBADRM CCCN1C[C@@H](CNC(=O)c2cn(CC(=O)[O-])nn2)CC1=O ZINC001589673607 949960392 /nfs/dbraw/zinc/96/03/92/949960392.db2.gz NKFLYWLYEJWCGP-SECBINFHSA-N -1 0 309.326 -0.649 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CCCO1 ZINC001595279967 949965864 /nfs/dbraw/zinc/96/58/64/949965864.db2.gz GLVLDGUWISBXNT-CPCISQLKSA-N -1 0 324.255 -0.100 20 0 DBADRM CCCN1C[C@@H](C(=O)N(CCC(=O)OC)CC(=O)[O-])CC1=O ZINC001589673742 949966469 /nfs/dbraw/zinc/96/64/69/949966469.db2.gz SPQJGBUZWTUCPF-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM CCCN(CCO)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001589674303 949972788 /nfs/dbraw/zinc/97/27/88/949972788.db2.gz LTSIUNHNXAWJFR-WDEREUQCSA-N -1 0 300.355 -0.214 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCC3(CNC(=O)C3)CC2)cn1 ZINC001595283305 949989761 /nfs/dbraw/zinc/98/97/61/949989761.db2.gz SHDPMKIWYRKMQC-UHFFFAOYSA-N -1 0 304.306 -0.083 20 0 DBADRM CCCNC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589675137 949990047 /nfs/dbraw/zinc/99/00/47/949990047.db2.gz ODVWBYMHMHJEDK-ZJUUUORDSA-N -1 0 313.354 -0.660 20 0 DBADRM CCCNC(=O)CCC(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001589676892 950001415 /nfs/dbraw/zinc/00/14/15/950001415.db2.gz KJOSESLWQRIVOC-CQSZACIVSA-N -1 0 316.354 -0.379 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCC[C@@H]1CNC(=O)C1)C2 ZINC001595285059 950004447 /nfs/dbraw/zinc/00/44/47/950004447.db2.gz JUCXIQDMPPDHGM-IMSIIYSGSA-N -1 0 311.338 -0.745 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000250935893 950010314 /nfs/dbraw/zinc/01/03/14/950010314.db2.gz GFQZDVUJLMRUNW-KXUCPTDWSA-N -1 0 304.368 -0.220 20 0 DBADRM O=C([O-])[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H]1CC(=O)N1 ZINC001595285395 950015585 /nfs/dbraw/zinc/01/55/85/950015585.db2.gz NDTARFRYHMMECZ-QWRGUYRKSA-N -1 0 320.301 -0.422 20 0 DBADRM O=C(C[C@H]1CCC(=O)NC1)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001595286892 950044842 /nfs/dbraw/zinc/04/48/42/950044842.db2.gz ZRKKWOSQBZEDNQ-MRVPVSSYSA-N -1 0 322.321 -0.034 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CCCCC1 ZINC001595290957 950066009 /nfs/dbraw/zinc/06/60/09/950066009.db2.gz DTZQCLATZIWOFJ-VIFPVBQESA-N -1 0 309.322 -0.216 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CCCCC1 ZINC001595290954 950066102 /nfs/dbraw/zinc/06/61/02/950066102.db2.gz DTZQCLATZIWOFJ-SECBINFHSA-N -1 0 309.322 -0.216 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)cn1 ZINC001595293922 950099412 /nfs/dbraw/zinc/09/94/12/950099412.db2.gz XGRRURCXHXOGMG-QWRGUYRKSA-N -1 0 305.290 -0.491 20 0 DBADRM O=C([O-])C1(C(=O)N2CC3(C2)CNC(=O)O3)CCSCC1 ZINC001595294054 950101577 /nfs/dbraw/zinc/10/15/77/950101577.db2.gz WRBBZQFAVMYGLP-UHFFFAOYSA-N -1 0 300.336 -0.095 20 0 DBADRM O=CN1CCC[C@H]1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001595295749 950131770 /nfs/dbraw/zinc/13/17/70/950131770.db2.gz DBVRRDRBSSIKGO-QWRGUYRKSA-N -1 0 311.338 -0.811 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)CCOCC1 ZINC001595295836 950134976 /nfs/dbraw/zinc/13/49/76/950134976.db2.gz HJVDBOVMOJRKHW-JTQLQIEISA-N -1 0 312.322 -0.033 20 0 DBADRM CCN(C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)[C@@H]1CCNC1=O ZINC001589696856 950172404 /nfs/dbraw/zinc/17/24/04/950172404.db2.gz DVJNKBRKCBEIID-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN(C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)[C@H](C)C(=O)[O-] ZINC001589698461 950203324 /nfs/dbraw/zinc/20/33/24/950203324.db2.gz QFRGGPDPFXAQBX-ZJUUUORDSA-N -1 0 315.370 -0.286 20 0 DBADRM CCN(C(=O)c1cc(S(N)(=O)=O)cnc1C)[C@@H](C)C(=O)[O-] ZINC001589705627 950279074 /nfs/dbraw/zinc/27/90/74/950279074.db2.gz KXXUDAYHZPKKIR-QMMMGPOBSA-N -1 0 315.351 -0.027 20 0 DBADRM CCN(C(=O)c1ccc(S(N)(=O)=O)nc1)[C@H](C)C(=O)[O-] ZINC001589710720 950319762 /nfs/dbraw/zinc/31/97/62/950319762.db2.gz BDAWPEVJAXHOIA-SSDOTTSWSA-N -1 0 301.324 -0.336 20 0 DBADRM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001589721358 950425349 /nfs/dbraw/zinc/42/53/49/950425349.db2.gz KXAHXOXZHBIOPS-NSHDSACASA-N -1 0 323.353 -0.164 20 0 DBADRM C[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H](C(=O)[O-])C1 ZINC000379997044 971668601 /nfs/dbraw/zinc/66/86/01/971668601.db2.gz ODHLBMXJOVZESA-BDAKNGLRSA-N -1 0 307.372 -0.906 20 0 DBADRM CCN(CC)S(=O)(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589725623 950454350 /nfs/dbraw/zinc/45/43/50/950454350.db2.gz KWYOVFHUSDQSTE-SNVBAGLBSA-N -1 0 321.399 -0.372 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1CC(C(=O)[O-])=NO1)S(C)(=O)=O ZINC001589730722 950505250 /nfs/dbraw/zinc/50/52/50/950505250.db2.gz SKLFARBIAUBIDR-VIFPVBQESA-N -1 0 321.355 -0.996 20 0 DBADRM C[S@](=O)C1(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000380119066 971677878 /nfs/dbraw/zinc/67/78/78/971677878.db2.gz OYCGQFTUYKLCCM-YBYGRFCBSA-N -1 0 304.368 -0.217 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N(CCOC)CCC(=O)[O-])CC1=O ZINC001589742225 950622300 /nfs/dbraw/zinc/62/23/00/950622300.db2.gz LWKMSJHJZMWHMO-JTQLQIEISA-N -1 0 322.383 -0.640 20 0 DBADRM CCN1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])[C@H](C)C1 ZINC001589744590 950659267 /nfs/dbraw/zinc/65/92/67/950659267.db2.gz VLFFEFMFVXMPQS-MNOVXSKESA-N -1 0 305.400 -0.194 20 0 DBADRM O=C([O-])/C=C\c1ccc(S(=O)(=O)NCCn2ncnn2)cc1 ZINC000380180867 971682850 /nfs/dbraw/zinc/68/28/50/971682850.db2.gz OPZSIUFQSBCGHM-UTCJRWHESA-N -1 0 323.334 -0.251 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589881938 950688711 /nfs/dbraw/zinc/68/87/11/950688711.db2.gz FCXQILLENLUDJT-ZETCQYMHSA-N -1 0 308.294 -0.641 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)C1 ZINC001589883155 950701940 /nfs/dbraw/zinc/70/19/40/950701940.db2.gz YSNXCASTCZTPBS-FZMZJTMJSA-N -1 0 316.354 -0.964 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCn2ncnn2)c(F)c1 ZINC000380203716 971685205 /nfs/dbraw/zinc/68/52/05/971685205.db2.gz RTCDDFHVPKVMBF-UHFFFAOYSA-N -1 0 315.286 -0.511 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589961909 950740600 /nfs/dbraw/zinc/74/06/00/950740600.db2.gz CVIVIJYAZMKUIS-UHFFFAOYSA-N -1 0 316.339 -0.159 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC001590036931 950749031 /nfs/dbraw/zinc/74/90/31/950749031.db2.gz CRZQUDTUMYEXJI-ZJUUUORDSA-N -1 0 312.322 -0.669 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001590057235 950766929 /nfs/dbraw/zinc/76/69/29/950766929.db2.gz DCVZYOMHENXKSD-LHGDVCQASA-N -1 0 314.338 -0.330 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001590057598 950770047 /nfs/dbraw/zinc/77/00/47/950770047.db2.gz GCJPXICAWSBNRT-OYNCUSHFSA-N -1 0 314.338 -0.330 20 0 DBADRM COC[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000380369591 971691155 /nfs/dbraw/zinc/69/11/55/971691155.db2.gz QRVJNUXOPNASCS-ZETCQYMHSA-N -1 0 307.299 -0.191 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@@H](C)C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001590137797 950826767 /nfs/dbraw/zinc/82/67/67/950826767.db2.gz MUFGVUSMIKOINI-IEBDPFPHSA-N -1 0 310.306 -0.116 20 0 DBADRM CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC001590138031 950828553 /nfs/dbraw/zinc/82/85/53/950828553.db2.gz OOIYBRPUJVPXDZ-MRVPVSSYSA-N -1 0 304.299 -0.356 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC000314937247 950830575 /nfs/dbraw/zinc/83/05/75/950830575.db2.gz MIBCXZUGOYUXLK-ZWNOBZJWSA-N -1 0 319.379 -0.097 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC000314937239 950830778 /nfs/dbraw/zinc/83/07/78/950830778.db2.gz MIBCXZUGOYUXLK-GWCFXTLKSA-N -1 0 319.379 -0.097 20 0 DBADRM CCOC(=O)C1(C(=O)N2CCO[C@H](C(=O)[O-])C2)CCOCC1 ZINC001590139200 950835593 /nfs/dbraw/zinc/83/55/93/950835593.db2.gz XMDJPPZIWCKBHQ-JTQLQIEISA-N -1 0 315.322 -0.342 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)Nc2cnn(CC(=O)[O-])c2)c1C ZINC000315074621 950838087 /nfs/dbraw/zinc/83/80/87/950838087.db2.gz JHKUTBYILJELLD-UHFFFAOYSA-N -1 0 305.294 -0.069 20 0 DBADRM CCOC(=O)[C@]1(C)CN(CCS(=O)(=O)CC(=O)[O-])CCO1 ZINC001590177012 950838884 /nfs/dbraw/zinc/83/88/84/950838884.db2.gz DLYVHZILDZLJKO-LBPRGKRZSA-N -1 0 323.367 -0.860 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCCS(N)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000315281913 950841239 /nfs/dbraw/zinc/84/12/39/950841239.db2.gz VYCIIXNZHKDNDA-ZJUUUORDSA-N -1 0 321.399 -0.193 20 0 DBADRM CCOC(=O)[C@@]1(C)CN(C(=O)c2cc(C(=O)[O-])n[nH]2)CCO1 ZINC001590177382 950844902 /nfs/dbraw/zinc/84/49/02/950844902.db2.gz IDQORXBQBJHBTR-CYBMUJFWSA-N -1 0 311.294 -0.098 20 0 DBADRM CCOC(=O)[C@@]1(C)CN(C(=O)[C@@](C)(OC)C(=O)[O-])CCO1 ZINC001590178046 950850220 /nfs/dbraw/zinc/85/02/20/950850220.db2.gz NYZCMPDTDFWKTQ-CHWSQXEVSA-N -1 0 303.311 -0.343 20 0 DBADRM CCOC(=O)[C@@]1(CNC(=O)[C@](C)(OC)C(=O)[O-])CCCOC1 ZINC001590179004 950862114 /nfs/dbraw/zinc/86/21/14/950862114.db2.gz WEALLNUZNAVRAM-UONOGXRCSA-N -1 0 317.338 -0.048 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2ccnc(C(=O)[O-])c2)c1=O ZINC000316004362 950864295 /nfs/dbraw/zinc/86/42/95/950864295.db2.gz JJVLJUPYLVZCIU-UHFFFAOYSA-N -1 0 304.262 -0.721 20 0 DBADRM O=C([O-])CC1(C(=O)N2C[C@H](CO)[C@H](CCO)C2)CCOCC1 ZINC001594972811 950873003 /nfs/dbraw/zinc/87/30/03/950873003.db2.gz YLCLDUNHRRRGGY-VXGBXAGGSA-N -1 0 315.366 -0.293 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CCn3cnnc3C2)CCOCC1 ZINC000316511050 950881321 /nfs/dbraw/zinc/88/13/21/950881321.db2.gz BLXCGQKKVZHWAI-UHFFFAOYSA-N -1 0 309.326 -0.315 20 0 DBADRM O=C([O-])CC1(C(=O)N[C@H](CO)CC2OCCO2)CCOCC1 ZINC001594973268 950887656 /nfs/dbraw/zinc/88/76/56/950887656.db2.gz UAMSEPSGBSFMEG-JTQLQIEISA-N -1 0 317.338 -0.502 20 0 DBADRM CCOC(=O)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC001590208729 950888416 /nfs/dbraw/zinc/88/84/16/950888416.db2.gz MQZVFRYEUUNKKK-UWVGGRQHSA-N -1 0 312.322 -0.669 20 0 DBADRM O=C([O-])CC1(C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)CCOCC1 ZINC001594974260 950904311 /nfs/dbraw/zinc/90/43/11/950904311.db2.gz NKYKSLVDSXZULR-MXWKQRLJSA-N -1 0 301.339 -0.352 20 0 DBADRM CC1(C)C[C@@]1(C)NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001575640991 950905839 /nfs/dbraw/zinc/90/58/39/950905839.db2.gz NCYCHARGNCIKSP-CYBMUJFWSA-N -1 0 319.325 -0.566 20 0 DBADRM CCOC(=O)CCN(C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001590414092 950953167 /nfs/dbraw/zinc/95/31/67/950953167.db2.gz QKDMGDXAYRKECK-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCC(=O)N2CCCC2)C1 ZINC000319290792 950954353 /nfs/dbraw/zinc/95/43/53/950954353.db2.gz HIRAUDRWRCEUTP-AWEZNQCLSA-N -1 0 313.354 -0.259 20 0 DBADRM CCOC(=O)COCCNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001590648319 950961365 /nfs/dbraw/zinc/96/13/65/950961365.db2.gz GPWKRVSUQYSAMD-GHMZBOCLSA-N -1 0 317.338 -0.048 20 0 DBADRM CCOC(=O)CN(CC)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001590648631 950970812 /nfs/dbraw/zinc/97/08/12/950970812.db2.gz XUEGEIIRLWPKPA-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM CCOC(=O)Cn1cccc(NC(=O)COCC(=O)[O-])c1=O ZINC001590729230 950997368 /nfs/dbraw/zinc/99/73/68/950997368.db2.gz ULHAGOUXVHSMTL-UHFFFAOYSA-N -1 0 312.278 -0.549 20 0 DBADRM CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)NCCC(=O)[O-])C1 ZINC001590873673 951006428 /nfs/dbraw/zinc/00/64/28/951006428.db2.gz NZSSVNXQULITFQ-DTWKUNHWSA-N -1 0 303.315 -0.791 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](O)[C@@H](F)C2)C1 ZINC001594987477 951026563 /nfs/dbraw/zinc/02/65/63/951026563.db2.gz DADHWMXFZLTXOP-GARJFASQSA-N -1 0 316.329 -0.369 20 0 DBADRM CCOC(=O)c1cc(CN2CCN(C(=O)C(=O)[O-])CC2)on1 ZINC001591092404 951066609 /nfs/dbraw/zinc/06/66/09/951066609.db2.gz YOZXBZCOEBYOBY-UHFFFAOYSA-N -1 0 311.294 -0.420 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)CO1 ZINC001595002652 951153140 /nfs/dbraw/zinc/15/31/40/951153140.db2.gz JKDORZYFOFZTFH-YTWPOYAVSA-N -1 0 301.364 -0.012 20 0 DBADRM CCO[C@H](C(=O)N(CCC(=O)OC)CC(=O)[O-])[C@@H]1CCOC1 ZINC001591531649 951158153 /nfs/dbraw/zinc/15/81/53/951158153.db2.gz NBHZAFWUIWVEJO-MFKMUULPSA-N -1 0 317.338 -0.096 20 0 DBADRM CCO[C@@H](C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[C@H]1CCOC1 ZINC001591531784 951159233 /nfs/dbraw/zinc/15/92/33/951159233.db2.gz WOHMCTCPFOFMLH-OHTBPHCPSA-N -1 0 313.350 -0.012 20 0 DBADRM CCO[C@@H](C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001591531787 951159393 /nfs/dbraw/zinc/15/93/93/951159393.db2.gz WOHMCTCPFOFMLH-ZAZJYDDPSA-N -1 0 313.350 -0.012 20 0 DBADRM CCOC(CC(=O)N1CCN(C(=O)C(=O)[O-])CC1)OCC ZINC001591703124 951162236 /nfs/dbraw/zinc/16/22/36/951162236.db2.gz DULFLYUYRUVGSX-UHFFFAOYSA-N -1 0 302.327 -0.469 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N[C@H](CO)Cc2c[nH]cn2)CO1 ZINC001595003271 951164375 /nfs/dbraw/zinc/16/43/75/951164375.db2.gz CNIFPGROTZTIGP-ADEWGFFLSA-N -1 0 311.338 -0.301 20 0 DBADRM CCO[C@@H]1[C@H](C)[C@H]1C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001591739634 951183347 /nfs/dbraw/zinc/18/33/47/951183347.db2.gz YGROKOIVYWVZIS-BIAAXOCRSA-N -1 0 301.339 -0.014 20 0 DBADRM CCO[C@H]1C[C@@H]1c1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1 ZINC001591762222 951205378 /nfs/dbraw/zinc/20/53/78/951205378.db2.gz OIUQDZRPGWHJGX-XPUUQOCRSA-N -1 0 322.277 -0.024 20 0 DBADRM CCOCCOC[C@@H](O)CNC(=O)c1cc(C(=O)[O-])nn1C ZINC001591925755 951242322 /nfs/dbraw/zinc/24/23/22/951242322.db2.gz BKVUFGQLODFIPJ-VIFPVBQESA-N -1 0 315.326 -0.738 20 0 DBADRM CCOC[C@H](C)NC(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001591986998 951258561 /nfs/dbraw/zinc/25/85/61/951258561.db2.gz LCUPWQZVKKPMIG-GXFFZTMASA-N -1 0 304.343 -0.077 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)c1ccc(C(=O)[O-])nc1 ZINC000383797633 951260168 /nfs/dbraw/zinc/26/01/68/951260168.db2.gz YBJKOIKYVYTTHE-UHFFFAOYSA-N -1 0 301.324 -0.422 20 0 DBADRM O=C([O-])CC[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](CO)C2)C1 ZINC001595012483 951262898 /nfs/dbraw/zinc/26/28/98/951262898.db2.gz IUHFVHAWIYOQNQ-NEPJUHHUSA-N -1 0 312.366 -0.069 20 0 DBADRM CCON(C)C(=O)CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001591997413 951269240 /nfs/dbraw/zinc/26/92/40/951269240.db2.gz NYKFGNBEOHXYBI-UHFFFAOYSA-N -1 0 324.293 -0.756 20 0 DBADRM CCON(CC)C(=O)CNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001591997936 951274671 /nfs/dbraw/zinc/27/46/71/951274671.db2.gz UXSDTOSDGOCDFY-SECBINFHSA-N -1 0 303.315 -0.719 20 0 DBADRM CN(C)C(=O)c1ccc(=NCC2(C(=O)[O-])CCOCC2)[nH]n1 ZINC000387551334 951318629 /nfs/dbraw/zinc/31/86/29/951318629.db2.gz ZLNSYQIEVNZQQQ-UHFFFAOYSA-N -1 0 308.338 -0.106 20 0 DBADRM O=C([O-])CCCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001595025274 951343995 /nfs/dbraw/zinc/34/39/95/951343995.db2.gz HWIQXCCEOBDOIO-NSHDSACASA-N -1 0 318.395 -0.427 20 0 DBADRM O=C([O-])CCCCC(=O)N(CCO)CCN1CCOCC1 ZINC001595031796 951375526 /nfs/dbraw/zinc/37/55/26/951375526.db2.gz XLRUAMAKTAJUJD-UHFFFAOYSA-N -1 0 302.371 -0.216 20 0 DBADRM CCN1C[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1=O ZINC000391467356 951397407 /nfs/dbraw/zinc/39/74/07/951397407.db2.gz DFQVYOGPSQWQSR-SNVBAGLBSA-N -1 0 319.383 -0.762 20 0 DBADRM O=C([O-])CCCCCNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001595035901 951404533 /nfs/dbraw/zinc/40/45/33/951404533.db2.gz KYXYDTUVXKZPPW-VIFPVBQESA-N -1 0 320.367 -0.949 20 0 DBADRM CCc1nnc(CNC(=O)N2CC[C@@](COC)(C(=O)[O-])C2)[nH]1 ZINC000392302431 951417143 /nfs/dbraw/zinc/41/71/43/951417143.db2.gz AJWGYWGSEBPSQX-CYBMUJFWSA-N -1 0 311.342 0.000 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCC2(C1)OCCO2 ZINC001595041217 951426660 /nfs/dbraw/zinc/42/66/60/951426660.db2.gz VBJREAKZQCBVAB-UHFFFAOYSA-N -1 0 300.311 -0.667 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCC[C@H](O)CC2)CC1 ZINC000393225784 951431931 /nfs/dbraw/zinc/43/19/31/951431931.db2.gz YGISTKXDHZHXQF-NSHDSACASA-N -1 0 306.384 -0.125 20 0 DBADRM O=C([O-])C1(CNC(=O)NCC(=O)NCC(F)F)CCOCC1 ZINC000393690194 951438388 /nfs/dbraw/zinc/43/83/88/951438388.db2.gz PABGJKGGUYJEFL-UHFFFAOYSA-N -1 0 323.296 -0.452 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC000394299550 951450956 /nfs/dbraw/zinc/45/09/56/951450956.db2.gz SSZHNLNAZHGELH-IONNQARKSA-N -1 0 304.324 -0.749 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000396741847 951485179 /nfs/dbraw/zinc/48/51/79/951485179.db2.gz GIGIGFPBSCMUJM-UHFFFAOYSA-N -1 0 321.289 -0.107 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CCc2ccccc2NC1=O ZINC001595055696 951494924 /nfs/dbraw/zinc/49/49/24/951494924.db2.gz CQFLLZXVOBBQAX-LLVKDONJSA-N -1 0 319.317 -0.353 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000397012167 951498182 /nfs/dbraw/zinc/49/81/82/951498182.db2.gz IXDDYVZXHZQGCS-GMTAPVOTSA-N -1 0 318.395 -0.525 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCCc1nc2c(s1)CCC2 ZINC001595056126 951501822 /nfs/dbraw/zinc/50/18/22/951501822.db2.gz OYCLFRNILNKKIM-UHFFFAOYSA-N -1 0 311.363 -0.119 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCc1n[nH]cc1Br ZINC001595056247 951503830 /nfs/dbraw/zinc/50/38/30/951503830.db2.gz WBYSBOUATMEXHV-UHFFFAOYSA-N -1 0 319.115 -0.621 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cnn(Cc2cccnc2)c1 ZINC001595057602 951505969 /nfs/dbraw/zinc/50/59/69/951505969.db2.gz RBOXBNDOYPTFFQ-UHFFFAOYSA-N -1 0 317.305 -0.144 20 0 DBADRM CNC(=O)CCCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000398387529 951589603 /nfs/dbraw/zinc/58/96/03/951589603.db2.gz WOWRGSNIMLBAJI-UHFFFAOYSA-N -1 0 301.343 -0.307 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)C1=O ZINC001595073850 951619871 /nfs/dbraw/zinc/61/98/71/951619871.db2.gz JYGLTADWOZECNX-AXFHLTTASA-N -1 0 316.379 -0.962 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)COC2CCOCC2)C1=O ZINC001595080497 951671927 /nfs/dbraw/zinc/67/19/27/951671927.db2.gz BQTUZUUCEAKWPD-JTQLQIEISA-N -1 0 301.295 -0.589 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)c2ccnc3ccnn32)C1=O ZINC001595080896 951675199 /nfs/dbraw/zinc/67/51/99/951675199.db2.gz CLCHVGOALBYYRP-VIFPVBQESA-N -1 0 304.262 -0.428 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)[C@H]2CCc3n[nH]cc3C2)C1=O ZINC001595082180 951693008 /nfs/dbraw/zinc/69/30/08/951693008.db2.gz ZPHAPOLCIUBQSZ-KWQFWETISA-N -1 0 307.306 -0.257 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)Cc2cnn3c2CCCC3)C1=O ZINC001595082717 951701103 /nfs/dbraw/zinc/70/11/03/951701103.db2.gz UMWZHPKCMIZTHM-GFCCVEGCSA-N -1 0 321.333 -0.009 20 0 DBADRM O=C([O-])CN1CC[C@H](n2cc(C3CC4(C3)OCCO4)nn2)C1=O ZINC001595083137 951706594 /nfs/dbraw/zinc/70/65/94/951706594.db2.gz ZQBXGYIIPXNDBL-NSHDSACASA-N -1 0 322.321 -0.243 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@H]2CCc3n[nH]cc3C2)C1=O ZINC001595083810 951711224 /nfs/dbraw/zinc/71/12/24/951711224.db2.gz MBIMSIYLOBJYAU-QWRGUYRKSA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCc3[nH]cnc3C2)C1=O ZINC001595084927 951719431 /nfs/dbraw/zinc/71/94/31/951719431.db2.gz QKXFDSCYAHRULW-SECBINFHSA-N -1 0 306.322 -0.382 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)Nc2nc3cnccn3n2)C1=O ZINC001595086477 951733970 /nfs/dbraw/zinc/73/39/70/951733970.db2.gz CWKIMSFWRXSOGD-QMMMGPOBSA-N -1 0 318.293 -0.614 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CCN(C3CC3)CC2)C1=O ZINC001595086775 951737218 /nfs/dbraw/zinc/73/72/18/951737218.db2.gz NBBCFXKSZPYIPA-LBPRGKRZSA-N -1 0 309.366 -0.384 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@H](O)[C@@H](F)C2)C1=O ZINC001595086998 951740534 /nfs/dbraw/zinc/74/05/34/951740534.db2.gz PRGPUTZYOMXJQB-GUBZILKMSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC([C@@H]3CCOC3)C2)C1=O ZINC001595087166 951742610 /nfs/dbraw/zinc/74/26/10/951742610.db2.gz QUXDJOYRCBAUFG-PWSUYJOCSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC(F)(F)C[C@H]2CO)C1=O ZINC001595087762 951750398 /nfs/dbraw/zinc/75/03/98/951750398.db2.gz XWWMXKKRBKGTSB-DTWKUNHWSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)O[C@H]2CCN(CCF)C2)C1=O ZINC001595087999 951754065 /nfs/dbraw/zinc/75/40/65/951754065.db2.gz VXYYHYKPEAWDRC-WDEREUQCSA-N -1 0 316.329 -0.103 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)OCCO[C@@H]2CCOC2)C1=O ZINC001595088109 951755110 /nfs/dbraw/zinc/75/51/10/951755110.db2.gz YUWONMSXMZIWJY-MNOVXSKESA-N -1 0 315.322 -0.342 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)/C=C\Cn2cncn2)C1=O ZINC001595089826 951761409 /nfs/dbraw/zinc/76/14/09/951761409.db2.gz JAOMDTCDTONBEY-USEMIUTHSA-N -1 0 321.337 -0.584 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N2C[C@H]3C[C@@]3(O)C2)C1=O ZINC001595090132 951765287 /nfs/dbraw/zinc/76/52/87/951765287.db2.gz LZBYKWFGETYODJ-ISTVAULSSA-N -1 0 311.338 -0.772 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NCC(F)(F)CO)C1=O ZINC001595091544 951779902 /nfs/dbraw/zinc/77/99/02/951779902.db2.gz SBUYPMAYBCYYNH-QMMMGPOBSA-N -1 0 323.296 -0.621 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](N2C(=O)N[C@@H](CCF)C2=O)C1=O ZINC001595091898 951784869 /nfs/dbraw/zinc/78/48/69/951784869.db2.gz GKYIYQYRAYLWRQ-DTWKUNHWSA-N -1 0 315.301 -0.268 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)O[C@H]2CCOC2)C1=O ZINC001595093973 951801251 /nfs/dbraw/zinc/80/12/51/951801251.db2.gz NENKRBNBWVNGHM-VHSXEESVSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)c2ccc(=O)[nH]c2)C1=O ZINC001595094909 951806026 /nfs/dbraw/zinc/80/60/26/951806026.db2.gz XYMKVGREJFWBLW-JTQLQIEISA-N -1 0 307.306 -0.017 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NS(=O)(=O)C2CCC2)C1=O ZINC001595097183 951828159 /nfs/dbraw/zinc/82/81/59/951828159.db2.gz XNHIIYJXUPANNJ-JTQLQIEISA-N -1 0 304.368 -0.076 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC001595098780 951843793 /nfs/dbraw/zinc/84/37/93/951843793.db2.gz QDMASEALCSEQFS-SNVBAGLBSA-N -1 0 306.274 -0.742 20 0 DBADRM O=C([O-])CNC(=O)COc1cccc(C(=O)N2CCOCC2)c1 ZINC001595099162 951847249 /nfs/dbraw/zinc/84/72/49/951847249.db2.gz NUTFXLQBLUJZLS-UHFFFAOYSA-N -1 0 322.317 -0.261 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC001595099962 951850722 /nfs/dbraw/zinc/85/07/22/951850722.db2.gz GMJVZBJDGTWSJL-JTQLQIEISA-N -1 0 324.289 -0.393 20 0 DBADRM O=C([O-])COCC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001595107188 951883820 /nfs/dbraw/zinc/88/38/20/951883820.db2.gz LYYOTYJQTOORPJ-CQSZACIVSA-N -1 0 322.361 -0.377 20 0 DBADRM O=C([O-])COCC(=O)Nc1cccc(CN2CCOCC2)n1 ZINC001595108389 951900425 /nfs/dbraw/zinc/90/04/25/951900425.db2.gz ZHEQABTZRACXFX-UHFFFAOYSA-N -1 0 309.322 -0.047 20 0 DBADRM O=C([O-])COCC(=O)OCC1=NS(=O)(=O)c2ccccc21 ZINC001595110368 951901429 /nfs/dbraw/zinc/90/14/29/951901429.db2.gz AOWIFUIJOISFCG-UHFFFAOYSA-N -1 0 313.287 -0.178 20 0 DBADRM O=C([O-])COCC(=O)OCCN1C(=O)c2ccccc2C1=O ZINC001595110981 951905680 /nfs/dbraw/zinc/90/56/80/951905680.db2.gz PMQHWSPBBGIJCA-UHFFFAOYSA-N -1 0 307.258 -0.073 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCOC[C@H]1CC1CC1 ZINC001595111978 951910408 /nfs/dbraw/zinc/91/04/08/951910408.db2.gz GCPKFHGEZLOWGT-LLVKDONJSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCC[C@H]1c1cccnc1 ZINC001595112582 951915519 /nfs/dbraw/zinc/91/55/19/951915519.db2.gz ZZZJYUUMUCYIGN-LBPRGKRZSA-N -1 0 321.333 -0.038 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CC[C@H](O)[C@@H](F)C1 ZINC001595113689 951928866 /nfs/dbraw/zinc/92/88/66/951928866.db2.gz GRQSAEMQIZJCGR-UWVGGRQHSA-N -1 0 308.306 -0.782 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1cccc2ncnn21 ZINC001595114751 951938798 /nfs/dbraw/zinc/93/87/98/951938798.db2.gz IWPTUJUNVACCKU-UHFFFAOYSA-N -1 0 308.294 -0.423 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1cn2c(n1)COCC2 ZINC001595114822 951939923 /nfs/dbraw/zinc/93/99/23/951939923.db2.gz MNLKJLHCRAFIFW-UHFFFAOYSA-N -1 0 313.310 -0.739 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1ccn2nccc2n1 ZINC001595115033 951940580 /nfs/dbraw/zinc/94/05/80/951940580.db2.gz SYHLVKWWVHHJSP-UHFFFAOYSA-N -1 0 308.294 -0.423 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1c[nH]cc(Cl)c1=O ZINC001595115884 951944484 /nfs/dbraw/zinc/94/44/84/951944484.db2.gz DICDFLYFPMEZLQ-UHFFFAOYSA-N -1 0 318.713 -0.124 20 0 DBADRM O=C([O-])COc1ccc(C(=O)OCCN2C(=O)CNC2=O)cc1 ZINC001595119119 951961701 /nfs/dbraw/zinc/96/17/01/951961701.db2.gz IFBCGEVPBUEOGK-UHFFFAOYSA-N -1 0 322.273 -0.141 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001595123565 951987431 /nfs/dbraw/zinc/98/74/31/951987431.db2.gz ICUMXPZRQQKBPB-ZJUUUORDSA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCOC[C@H]1C(F)(F)F ZINC001595123689 951990024 /nfs/dbraw/zinc/99/00/24/951990024.db2.gz AHIXWLYFHLJPEF-ZETCQYMHSA-N -1 0 305.274 -0.251 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCN(C[C@H]2CCOC2)CC1 ZINC001595123930 951993613 /nfs/dbraw/zinc/99/36/13/951993613.db2.gz HEOOLQMFCUFTHD-GFCCVEGCSA-N -1 0 320.411 -0.860 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC(C2OCCO2)CC1 ZINC001595124137 951995849 /nfs/dbraw/zinc/99/58/49/951995849.db2.gz YQRKUJHHBQAMAW-UHFFFAOYSA-N -1 0 307.368 -0.429 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCCCCNC(=O)CC1 ZINC001595124278 951998769 /nfs/dbraw/zinc/99/87/69/951998769.db2.gz PAZMLZGAEYAXIR-UHFFFAOYSA-N -1 0 306.384 -0.522 20 0 DBADRM O=C([O-])CS(=O)(=O)CCNc1ccc(C2(O)COC2)cc1 ZINC001595125129 952008128 /nfs/dbraw/zinc/00/81/28/952008128.db2.gz MCSGAHCMDIVPMC-UHFFFAOYSA-N -1 0 315.347 -0.184 20 0 DBADRM O=C([O-])CSCC(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC001595125432 952011896 /nfs/dbraw/zinc/01/18/96/952011896.db2.gz ZODMIIXLVCFYAS-UHFFFAOYSA-N -1 0 300.258 -0.005 20 0 DBADRM O=C([O-])CSCC(=O)N1CCC(O)(COCCO)CC1 ZINC001595125418 952011944 /nfs/dbraw/zinc/01/19/44/952011944.db2.gz ZKBSKBLRKYADGR-UHFFFAOYSA-N -1 0 307.368 -0.833 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N(CCO)CCO ZINC001595138437 952067898 /nfs/dbraw/zinc/06/78/98/952067898.db2.gz LZCYXSMZVNNUEE-UHFFFAOYSA-N -1 0 310.306 -0.935 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)nn1 ZINC001595140333 952074366 /nfs/dbraw/zinc/07/43/66/952074366.db2.gz RERWFXHAORJJNC-SCZZXKLOSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC(Oc3nccs3)C2)nn1 ZINC001595140655 952077248 /nfs/dbraw/zinc/07/72/48/952077248.db2.gz XVGRJLJBWYOVAQ-UHFFFAOYSA-N -1 0 309.307 -0.277 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@H](CO)c2ccccc2)nn1 ZINC001595141535 952082705 /nfs/dbraw/zinc/08/27/05/952082705.db2.gz GTVOGIGPLKIVPP-LLVKDONJSA-N -1 0 304.306 -0.131 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCOC[C@@H]2C[C@@H]2CCOC2)nn1 ZINC001595141762 952084449 /nfs/dbraw/zinc/08/44/49/952084449.db2.gz FCQRLZYXTBTOAW-QWRGUYRKSA-N -1 0 324.337 -0.370 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@@H]2COc3ccccc3C2=O)nn1 ZINC001595141983 952085584 /nfs/dbraw/zinc/08/55/84/952085584.db2.gz JEVXSWGZMIHZRJ-SNVBAGLBSA-N -1 0 316.273 -0.264 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC2(c3ncccn3)CCC2)nn1 ZINC001595142088 952088279 /nfs/dbraw/zinc/08/82/79/952088279.db2.gz KGQGZFWYAVAYOQ-UHFFFAOYSA-N -1 0 302.294 -0.038 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCO[C@H](C(F)F)CC2)nn1 ZINC001595143158 952097926 /nfs/dbraw/zinc/09/79/26/952097926.db2.gz VOUIMRBRHRYZHK-QMMMGPOBSA-N -1 0 304.253 -0.141 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCc2cn3ccccc3n2)nn1 ZINC001595143426 952100798 /nfs/dbraw/zinc/10/07/98/952100798.db2.gz DMDJPTBDOODBRH-UHFFFAOYSA-N -1 0 300.278 -0.060 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@]23CC(=O)N[C@H]2CCCC3)nn1 ZINC001595143656 952102644 /nfs/dbraw/zinc/10/26/44/952102644.db2.gz NQYJOWQBFMNFMU-TVQRCGJNSA-N -1 0 307.310 -0.706 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)c2cnn3c2OCCC3)nn1 ZINC001595146646 952116908 /nfs/dbraw/zinc/11/69/08/952116908.db2.gz OKHWIHPHDACNKB-UHFFFAOYSA-N -1 0 321.293 -0.259 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@@H]2COC3(CCC3)C2)n1 ZINC001595147395 952119690 /nfs/dbraw/zinc/11/96/90/952119690.db2.gz AELAAUCANZXERS-VIFPVBQESA-N -1 0 322.321 -0.266 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CCO[C@H](CF)C2)n1 ZINC001595147915 952123312 /nfs/dbraw/zinc/12/33/12/952123312.db2.gz KPDLRADTMACWGA-MRVPVSSYSA-N -1 0 314.273 -0.897 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CC[C@](O)(C3CC3)C2)n1 ZINC001595148448 952127064 /nfs/dbraw/zinc/12/70/64/952127064.db2.gz RMUYBISCWVBONF-CQSZACIVSA-N -1 0 322.321 -0.720 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@H]2CCCOCC2)n1 ZINC001595148650 952129408 /nfs/dbraw/zinc/12/94/08/952129408.db2.gz TYEDFLGIWOPNFH-VIFPVBQESA-N -1 0 310.310 -0.409 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCc2ncccn2)n1 ZINC001595151275 952133249 /nfs/dbraw/zinc/13/32/49/952133249.db2.gz MKPCWRLROYUNJU-UHFFFAOYSA-N -1 0 304.266 -0.987 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2O)n1 ZINC001595151330 952134193 /nfs/dbraw/zinc/13/41/93/952134193.db2.gz QDGGAQCRHJYIPU-BDAKNGLRSA-N -1 0 310.310 -0.817 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCCC2(CO)CCC2)n1 ZINC001595151368 952134213 /nfs/dbraw/zinc/13/42/13/952134213.db2.gz RYVBRBUQKSIZIC-UHFFFAOYSA-N -1 0 324.337 -0.425 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCCCC2(O)CCC2)n1 ZINC001595151320 952134410 /nfs/dbraw/zinc/13/44/10/952134410.db2.gz PSGPNNATXLDELY-UHFFFAOYSA-N -1 0 324.337 -0.282 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)Cc2nc3ncccn3n2)n1 ZINC001595151307 952134450 /nfs/dbraw/zinc/13/44/50/952134450.db2.gz OCKYYMNACMGGQK-UHFFFAOYSA-N -1 0 301.266 -0.413 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CC[C@H](c3ncon3)C2)c1=O ZINC001595154092 952155215 /nfs/dbraw/zinc/15/52/15/952155215.db2.gz JILKJPSSARJKBI-VIFPVBQESA-N -1 0 318.289 -0.054 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@]2(CCO)CCOC2)c1=O ZINC001595154465 952157427 /nfs/dbraw/zinc/15/74/27/952157427.db2.gz HWUFWYCMXZCMEV-AWEZNQCLSA-N -1 0 310.306 -0.796 20 0 DBADRM O=C([O-])Cn1cnc(N2C(=O)[C@@H]3CC(F)(F)CN3C2=O)n1 ZINC001595158523 952182004 /nfs/dbraw/zinc/18/20/04/952182004.db2.gz YHUITFUOOSCLAA-YFKPBYRVSA-N -1 0 301.209 -0.461 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](n3cncn3)C2)C1 ZINC001595162639 952201305 /nfs/dbraw/zinc/20/13/05/952201305.db2.gz WMLGXFYKPMRUKV-MNOVXSKESA-N -1 0 321.337 -0.625 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@H](CO)[C@H]1CCCOC1 ZINC001595169461 952219959 /nfs/dbraw/zinc/21/99/59/952219959.db2.gz OKOKGKIIKYCAKF-AXFHLTTASA-N -1 0 322.383 -0.843 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC1(CCO)CCC1 ZINC001595169515 952220599 /nfs/dbraw/zinc/22/05/99/952220599.db2.gz QDSPDNXFDXOKQH-JTQLQIEISA-N -1 0 306.384 -0.078 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCC1(O)CCOCC1 ZINC001595169925 952221612 /nfs/dbraw/zinc/22/16/12/952221612.db2.gz WXEMMYCUVGOKPB-JTQLQIEISA-N -1 0 322.383 -0.699 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@@H](O)c1ccco1 ZINC001595170082 952222641 /nfs/dbraw/zinc/22/26/41/952222641.db2.gz ZJLORCBHTFGPCR-DTWKUNHWSA-N -1 0 304.324 -0.304 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001595173274 952228198 /nfs/dbraw/zinc/22/81/98/952228198.db2.gz UZYRTACLERIWDJ-XWLWVQCSSA-N -1 0 301.364 -0.010 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001595177342 952238783 /nfs/dbraw/zinc/23/87/83/952238783.db2.gz BIFNEDULPVLESY-CHWSQXEVSA-N -1 0 323.393 -0.136 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C1CC1 ZINC001595185618 952261972 /nfs/dbraw/zinc/26/19/72/952261972.db2.gz YCKAZGZNUCLHTP-WDEREUQCSA-N -1 0 323.349 -0.112 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnc(CCO)n1CC1CC1)C2 ZINC001595203424 952320023 /nfs/dbraw/zinc/32/00/23/952320023.db2.gz XVRQYCHQKKZMAR-IAQYHMDHSA-N -1 0 322.365 -0.240 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)[nH]n1 ZINC001595206541 952330126 /nfs/dbraw/zinc/33/01/26/952330126.db2.gz DTFBFTVRYGXMGD-QMMMGPOBSA-N -1 0 307.310 -0.262 20 0 DBADRM COC[C@@](C)(O)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000382568746 971823723 /nfs/dbraw/zinc/82/37/23/971823723.db2.gz PRCWVIHIHTVQCM-NSHDSACASA-N -1 0 310.372 -0.985 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CC(C3CS(=O)(=O)C3)C2)nc1 ZINC001595214291 952366032 /nfs/dbraw/zinc/36/60/32/952366032.db2.gz RVDYZQKACTYENY-UHFFFAOYSA-N -1 0 310.331 -0.104 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)CCC1CCC1 ZINC000383527827 971873744 /nfs/dbraw/zinc/87/37/44/971873744.db2.gz AGLUDJZJHUXHDR-SNVBAGLBSA-N -1 0 304.368 -0.219 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000383721220 971889171 /nfs/dbraw/zinc/88/91/71/971889171.db2.gz DMENAIWFMJXFLT-LLVKDONJSA-N -1 0 307.372 -0.904 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1 ZINC001593353729 953351691 /nfs/dbraw/zinc/35/16/91/953351691.db2.gz GMLCRKVDEKFPEC-ZDUSSCGKSA-N -1 0 318.395 -0.019 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001593354072 953353103 /nfs/dbraw/zinc/35/31/03/953353103.db2.gz QVCLNBFOORYKQS-UHFFFAOYSA-N -1 0 301.324 0.000 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)N[C@H](C)CC(=O)[O-] ZINC001593353919 953353382 /nfs/dbraw/zinc/35/33/82/953353382.db2.gz NCKOSHGZFHDDTO-SECBINFHSA-N -1 0 309.388 -0.180 20 0 DBADRM CCS(=O)(=O)N1CCC(CNC(=O)COCC(=O)[O-])CC1 ZINC001593354133 953353835 /nfs/dbraw/zinc/35/38/35/953353835.db2.gz VRUPHDBTLNJJTM-UHFFFAOYSA-N -1 0 322.383 -0.735 20 0 DBADRM Cn1nccc1[C@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-] ZINC000402509736 953354282 /nfs/dbraw/zinc/35/42/82/953354282.db2.gz FHKXXYAXSMNPAU-NSHDSACASA-N -1 0 321.318 -0.209 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC001593355024 953354830 /nfs/dbraw/zinc/35/48/30/953354830.db2.gz CAWHYIWTUWATNT-SECBINFHSA-N -1 0 322.383 -0.594 20 0 DBADRM Cc1cc(CS(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)no1 ZINC000402522083 953355170 /nfs/dbraw/zinc/35/51/70/953355170.db2.gz KYHWAZVABHZTKY-SNVBAGLBSA-N -1 0 314.323 -0.038 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001593355369 953358407 /nfs/dbraw/zinc/35/84/07/953358407.db2.gz YIOFCKMQQUOLSM-AEJSXWLSSA-N -1 0 306.384 -0.117 20 0 DBADRM Cc1ccnc2nc(C(=O)N[C@H](C(=O)[O-])c3ccnn3C)nn21 ZINC000402693441 953362155 /nfs/dbraw/zinc/36/21/55/953362155.db2.gz ZIGRMHOOOOYLLB-VIFPVBQESA-N -1 0 315.293 -0.278 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589266359 953373201 /nfs/dbraw/zinc/37/32/01/953373201.db2.gz RNJAPYJZUFKSGZ-PKZYVASSSA-N -1 0 312.366 -0.169 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCn3ncnc3C2)C1 ZINC001589266794 953374924 /nfs/dbraw/zinc/37/49/24/953374924.db2.gz WYFANBZHTUTIBJ-VHSXEESVSA-N -1 0 321.337 -0.811 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2nccn2C)C1 ZINC001589266825 953376231 /nfs/dbraw/zinc/37/62/31/953376231.db2.gz XSJWXTOKEOEJKC-GHMZBOCLSA-N -1 0 322.365 -0.052 20 0 DBADRM O=C([O-])c1cc(C(=O)NCC2(OCCO)CCOCC2)[nH]n1 ZINC001594745489 953382120 /nfs/dbraw/zinc/38/21/20/953382120.db2.gz AZFDAZGIXKVIBY-UHFFFAOYSA-N -1 0 313.310 -0.604 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@H]2CCN=C3C2=NNN3C)C1 ZINC001589268042 953382252 /nfs/dbraw/zinc/38/22/52/953382252.db2.gz IAJPOMISQHDYGZ-BBBLOLIVSA-N -1 0 307.354 -0.220 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@H]2CCN=C3C2=NNN3C)C1 ZINC001589268043 953382679 /nfs/dbraw/zinc/38/26/79/953382679.db2.gz IAJPOMISQHDYGZ-KXUCPTDWSA-N -1 0 307.354 -0.220 20 0 DBADRM COc1cccc(O)c1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000404815146 953382962 /nfs/dbraw/zinc/38/29/62/953382962.db2.gz BAFPJTOFJRVIFY-UHFFFAOYSA-N -1 0 308.290 -0.230 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCN2CCCS2(=O)=O)C1 ZINC001589268736 953389146 /nfs/dbraw/zinc/38/91/46/953389146.db2.gz IXJRGWKROBZYKT-WDEREUQCSA-N -1 0 318.395 -0.019 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cncc(C(=O)OC)c1)C(=O)[O-] ZINC001593598609 953390698 /nfs/dbraw/zinc/39/06/98/953390698.db2.gz AOGKWUKWIBWZDN-SECBINFHSA-N -1 0 309.278 -0.214 20 0 DBADRM CC[C@@H](NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001593607054 953437682 /nfs/dbraw/zinc/43/76/82/953437682.db2.gz QAUNUTIQNDPAOB-RKDXNWHRSA-N -1 0 313.397 -0.406 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCSC2)CCO1 ZINC001594751566 953444188 /nfs/dbraw/zinc/44/41/88/953444188.db2.gz UDMVJSSNQIKPIC-IUCAKERBSA-N -1 0 302.352 -0.832 20 0 DBADRM CC[C@@H](O)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001593609121 953445903 /nfs/dbraw/zinc/44/59/03/953445903.db2.gz JNYMLFMHLMIIEZ-MRVPVSSYSA-N -1 0 312.326 -0.472 20 0 DBADRM CC[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593609773 953458169 /nfs/dbraw/zinc/45/81/69/953458169.db2.gz SMIVIYKPFRCWAR-BDAKNGLRSA-N -1 0 310.310 -0.410 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC[C@@]1(O)CCOC1)C2 ZINC001594754347 953461795 /nfs/dbraw/zinc/46/17/95/953461795.db2.gz QGEJECYPPBDNQB-GDLCADMTSA-N -1 0 314.338 -0.730 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCCN1CCOCC1 ZINC001594758224 953483073 /nfs/dbraw/zinc/48/30/73/953483073.db2.gz LFPYSBJEBKPTMG-UHFFFAOYSA-N -1 0 322.321 -0.833 20 0 DBADRM CC[C@H](C)[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)OC)C(=O)[O-] ZINC001593614852 953494744 /nfs/dbraw/zinc/49/47/44/953494744.db2.gz SAQVSLFLWJSMST-XPUUQOCRSA-N -1 0 319.339 -0.026 20 0 DBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCO)C1=O ZINC001594758868 953495524 /nfs/dbraw/zinc/49/55/24/953495524.db2.gz NJJXUROEQNYHRE-NEPJUHHUSA-N -1 0 321.333 -0.295 20 0 DBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCO)C1=O ZINC001594758871 953496045 /nfs/dbraw/zinc/49/60/45/953496045.db2.gz NJJXUROEQNYHRE-VXGBXAGGSA-N -1 0 321.333 -0.295 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2ccccn2)CCO1 ZINC001594763298 953520674 /nfs/dbraw/zinc/52/06/74/953520674.db2.gz WDOPNGYZSASJGW-NSHDSACASA-N -1 0 307.306 -0.948 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCCc1cn[nH]c1 ZINC001594765501 953526035 /nfs/dbraw/zinc/52/60/35/953526035.db2.gz IIWYWISHTXGZEC-UHFFFAOYSA-N -1 0 303.278 -0.200 20 0 DBADRM CC[C@H](NC(=O)Nc1ccn(CCS(C)(=O)=O)n1)C(=O)[O-] ZINC001593620944 953528222 /nfs/dbraw/zinc/52/82/22/953528222.db2.gz NJUJKXGIWAHDKA-QMMMGPOBSA-N -1 0 318.355 -0.088 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nnc([C@]3(O)CCOC3)n2C)C1 ZINC001589282129 953530961 /nfs/dbraw/zinc/53/09/61/953530961.db2.gz MCEBCJRNSLZVSR-BFVZDQMLSA-N -1 0 310.354 -0.030 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NCCn2cncn2)c1 ZINC001594766386 953534352 /nfs/dbraw/zinc/53/43/52/953534352.db2.gz XDLFDNVQDOSRND-UHFFFAOYSA-N -1 0 304.266 -0.874 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)C[C@H]2CN(C)CCO2)C1 ZINC001589282457 953535308 /nfs/dbraw/zinc/53/53/08/953535308.db2.gz RBGOKYAJTLGDEV-GRYCIOLGSA-N -1 0 320.411 -0.311 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)C(=O)N2CC[C@@](F)(CO)C2)cc1 ZINC001594769214 953550162 /nfs/dbraw/zinc/55/01/62/953550162.db2.gz WTULFZVDQDSGMK-HNNXBMFYSA-N -1 0 324.308 -0.066 20 0 DBADRM CCc1c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])ccn1C ZINC001593626819 953555673 /nfs/dbraw/zinc/55/56/73/953555673.db2.gz RUYFQLZIGNAWSS-LLVKDONJSA-N -1 0 314.363 -0.089 20 0 DBADRM CCc1c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])ccn1C ZINC001593626821 953555783 /nfs/dbraw/zinc/55/57/83/953555783.db2.gz RUYFQLZIGNAWSS-NSHDSACASA-N -1 0 314.363 -0.089 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1C[C@H](C)C[C@@H](CO)C1)C(=O)[O-] ZINC001589285762 953568508 /nfs/dbraw/zinc/56/85/08/953568508.db2.gz FZQRBINYEWYWEK-IJLUTSLNSA-N -1 0 314.382 -0.064 20 0 DBADRM O=C([O-])c1ccccc1CNC(=O)C(=O)N1CC[C@](F)(CO)C1 ZINC001594773284 953576976 /nfs/dbraw/zinc/57/69/76/953576976.db2.gz KESIGJVINWEAJB-OAHLLOKOSA-N -1 0 324.308 -0.066 20 0 DBADRM C[C@H]1C[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])c2ncnn21 ZINC001589291272 953599494 /nfs/dbraw/zinc/59/94/94/953599494.db2.gz BIYQLWMBEVZXIA-CIUDSAMLSA-N -1 0 315.355 -0.333 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)c2ncnn21 ZINC001589291737 953608103 /nfs/dbraw/zinc/60/81/03/953608103.db2.gz RAWFRHUMLCDNHX-WCBMZHEXSA-N -1 0 317.305 -0.040 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)NCCOCCOCC(=O)[O-])CCO1 ZINC001589293398 953621166 /nfs/dbraw/zinc/62/11/66/953621166.db2.gz NNAMHOSRVIFTRY-QWRGUYRKSA-N -1 0 304.343 -0.029 20 0 DBADRM C[C@H]1C[C@H](NC(=O)NCCOCCOCC(=O)[O-])CCO1 ZINC001589293400 953621018 /nfs/dbraw/zinc/62/10/18/953621018.db2.gz NNAMHOSRVIFTRY-WDEREUQCSA-N -1 0 304.343 -0.029 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)NCCOCCOCC(=O)[O-])[C@@H](C)O1 ZINC001589293712 953624103 /nfs/dbraw/zinc/62/41/03/953624103.db2.gz RBFBSYNWLHMHPB-GMTAPVOTSA-N -1 0 304.343 -0.031 20 0 DBADRM C[C@@H]1C[C@@H](c2nc(-c3cn(CC(=O)[O-])c(=O)[nH]c3=O)no2)CO1 ZINC001589294156 953627759 /nfs/dbraw/zinc/62/77/59/953627759.db2.gz FGXFWRQEWQHULI-RNFRBKRXSA-N -1 0 322.277 -0.024 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC001589298671 953670678 /nfs/dbraw/zinc/67/06/78/953670678.db2.gz PYZTZBCDWLYAPP-ZJUUUORDSA-N -1 0 309.322 -0.362 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC001589298668 953670883 /nfs/dbraw/zinc/67/08/83/953670883.db2.gz PYZTZBCDWLYAPP-NXEZZACHSA-N -1 0 309.322 -0.362 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1nc2n(n1)CCCN2 ZINC001594786445 953674446 /nfs/dbraw/zinc/67/44/46/953674446.db2.gz KSYSUVHMJJORJI-NSHDSACASA-N -1 0 315.333 -0.223 20 0 DBADRM CCc1csc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC001593647058 953676139 /nfs/dbraw/zinc/67/61/39/953676139.db2.gz IQFWNPFIUJRLPW-MRVPVSSYSA-N -1 0 313.335 -0.044 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001594786921 953678518 /nfs/dbraw/zinc/67/85/18/953678518.db2.gz PIYTUMFQMURBSN-AAVRWANBSA-N -1 0 321.329 -0.789 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](CCCO)C2)C1 ZINC001594789729 953686798 /nfs/dbraw/zinc/68/67/98/953686798.db2.gz CWADQANLGVPISC-UTUOFQBUSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCCC2(C1)OCCO2 ZINC001594792644 953697145 /nfs/dbraw/zinc/69/71/45/953697145.db2.gz VJTSNJZGVPMILV-AOOOYVTPSA-N -1 0 312.322 -0.669 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)C1 ZINC001594792684 953698690 /nfs/dbraw/zinc/69/86/90/953698690.db2.gz ZUYMWPOFWPRTQC-VLEAKVRGSA-N -1 0 306.322 -0.604 20 0 DBADRM CCc1nnc([C@@H](C)NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])[nH]1 ZINC001593649156 953698983 /nfs/dbraw/zinc/69/89/83/953698983.db2.gz VYPPEBBMGNELRK-SFYZADRCSA-N -1 0 317.371 -0.189 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCN(c3nccnn3)CC2)C1 ZINC001594793667 953701143 /nfs/dbraw/zinc/70/11/43/953701143.db2.gz RYAINIXXZIBNCG-AOOOYVTPSA-N -1 0 306.326 -0.434 20 0 DBADRM CCc1nc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])c[nH]1 ZINC001593649751 953702833 /nfs/dbraw/zinc/70/28/33/953702833.db2.gz LMXLMFSPFMUFMO-VIFPVBQESA-N -1 0 302.356 -0.145 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCC(CCCO)CC1 ZINC001594794852 953705886 /nfs/dbraw/zinc/70/58/86/953705886.db2.gz CFHQBLUDKBPHEH-HAQNSBGRSA-N -1 0 312.366 -0.023 20 0 DBADRM CCc1nncn1CCNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593653905 953728663 /nfs/dbraw/zinc/72/86/63/953728663.db2.gz SNAGCTRUWUXUJI-UHFFFAOYSA-N -1 0 319.321 -0.483 20 0 DBADRM CCc1ncoc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001593654082 953731621 /nfs/dbraw/zinc/73/16/21/953731621.db2.gz MCEYYTUMCTWKMC-MRVPVSSYSA-N -1 0 302.308 -0.439 20 0 DBADRM CCn1cnc2c1CCN(C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C2 ZINC001593669288 953866786 /nfs/dbraw/zinc/86/67/86/953866786.db2.gz DRNZYYSIEFDTAP-MGCOHNPYSA-N -1 0 320.349 -0.233 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N[C@@H](CO)CC(F)F)c1 ZINC001594816871 953869241 /nfs/dbraw/zinc/86/92/41/953869241.db2.gz PRNDDIXRJUFJAK-MRVPVSSYSA-N -1 0 317.248 -0.149 20 0 DBADRM CCn1cnc2c1CCN(C(=O)c1cn(CC(=O)[O-])nn1)C2 ZINC001593669725 953871778 /nfs/dbraw/zinc/87/17/78/953871778.db2.gz YIXBREPIDSZLER-UHFFFAOYSA-N -1 0 304.310 -0.222 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001589320950 953871918 /nfs/dbraw/zinc/87/19/18/953871918.db2.gz YZTLDPGNXCDLIV-ZJUUUORDSA-N -1 0 312.322 -0.526 20 0 DBADRM CCn1cnnc1CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001593669722 953872171 /nfs/dbraw/zinc/87/21/71/953872171.db2.gz XXGCQTOCRNHHSQ-UHFFFAOYSA-N -1 0 318.293 -0.354 20 0 DBADRM CCn1nc(C)c(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001593670792 953881096 /nfs/dbraw/zinc/88/10/96/953881096.db2.gz WNBFHERYFXBSHU-SNVBAGLBSA-N -1 0 323.353 -0.198 20 0 DBADRM CN(C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1)[C@@H]1CCNC1=O ZINC001593674380 953902693 /nfs/dbraw/zinc/90/26/93/953902693.db2.gz PLCABKXJYBNCQL-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC001593674573 953905350 /nfs/dbraw/zinc/90/53/50/953905350.db2.gz UZISGIWONCQVGR-JQWIXIFHSA-N -1 0 309.366 -0.385 20 0 DBADRM O=C([O-])C(=O)COC(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC001594822721 953916450 /nfs/dbraw/zinc/91/64/50/953916450.db2.gz GTRWORDTJBYWNG-UHFFFAOYSA-N -1 0 320.257 -0.451 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1 ZINC001594825091 953933905 /nfs/dbraw/zinc/93/39/05/953933905.db2.gz AUYVNSFPYVLSLT-VIFPVBQESA-N -1 0 306.322 -0.730 20 0 DBADRM C[C@@H]1CCCN(C(=O)c2nc(N)nc(N(C)C)n2)[C@@H]1C(=O)[O-] ZINC001589328974 953938315 /nfs/dbraw/zinc/93/83/15/953938315.db2.gz VWFRCIYMSVZTFJ-SFYZADRCSA-N -1 0 308.342 -0.155 20 0 DBADRM CN(C(=O)C(=O)Nc1cncc(C(=O)[O-])c1)[C@@H]1CCNC1=O ZINC001593676919 953939284 /nfs/dbraw/zinc/93/92/84/953939284.db2.gz YPURJDKMXLUOTP-SECBINFHSA-N -1 0 306.278 -0.935 20 0 DBADRM C[C@@H]1CCCc2nc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cn21 ZINC001589332205 953949988 /nfs/dbraw/zinc/94/99/88/953949988.db2.gz CZTIQTDPMDWYTR-PELKAZGASA-N -1 0 317.367 -0.106 20 0 DBADRM O=C([O-])C(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC001594827905 953951656 /nfs/dbraw/zinc/95/16/56/953951656.db2.gz QOFLJPQXWDHOMF-ZCFIWIBFSA-N -1 0 314.095 -0.092 20 0 DBADRM O=C([O-])C(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC001594827903 953951796 /nfs/dbraw/zinc/95/17/96/953951796.db2.gz QOFLJPQXWDHOMF-LURJTMIESA-N -1 0 314.095 -0.092 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]23CCOC3)C[C@@H]1C(=O)[O-] ZINC001589332254 953951737 /nfs/dbraw/zinc/95/17/37/953951737.db2.gz DQSFDDZTKYJBRR-JRPNMDOOSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)C[C@H]1C(=O)[O-] ZINC001589333094 953960002 /nfs/dbraw/zinc/96/00/02/953960002.db2.gz WUKLPELBKDYYRL-JNIYBQFBSA-N -1 0 310.350 -0.461 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)C[C@@H]1C(=O)[O-] ZINC001589333093 953960326 /nfs/dbraw/zinc/96/03/26/953960326.db2.gz WUKLPELBKDYYRL-DZHLUBAWSA-N -1 0 310.350 -0.461 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001589333166 953961555 /nfs/dbraw/zinc/96/15/55/953961555.db2.gz ZZCWJNRDCKBLOG-NHCYSSNCSA-N -1 0 304.368 -0.252 20 0 DBADRM O=C([O-])[C@@H](C(=O)N1CCN(CCn2cncn2)CC1)C1CC1 ZINC001594831638 953970882 /nfs/dbraw/zinc/97/08/82/953970882.db2.gz FWDFHJSUEAJCNO-GFCCVEGCSA-N -1 0 307.354 -0.467 20 0 DBADRM O=C([O-])[C@@H](C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)C1CCCC1 ZINC001594831647 953971150 /nfs/dbraw/zinc/97/11/50/953971150.db2.gz FXKAJUFLRBSMIP-VHSXEESVSA-N -1 0 309.322 -0.360 20 0 DBADRM CN(C)C(=O)CCCn1nnnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001593683605 953978725 /nfs/dbraw/zinc/97/87/25/953978725.db2.gz FLGCWMAXUBIKDK-CYBMUJFWSA-N -1 0 310.358 -0.158 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1 ZINC001593686745 953992037 /nfs/dbraw/zinc/99/20/37/953992037.db2.gz GHQQODBTTPFDFX-MRVPVSSYSA-N -1 0 309.326 -0.016 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001593686606 953992422 /nfs/dbraw/zinc/99/24/22/953992422.db2.gz BJEMYFJCFXXOFO-MNOVXSKESA-N -1 0 312.370 -0.640 20 0 DBADRM CC1CCN(C(=O)C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001589336331 953994392 /nfs/dbraw/zinc/99/43/92/953994392.db2.gz JMHXJXSKFPFBAT-JTQLQIEISA-N -1 0 312.322 -0.526 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001593687159 953995807 /nfs/dbraw/zinc/99/58/07/953995807.db2.gz NSZWZFNZSDKXRD-SCZZXKLOSA-N -1 0 312.326 -0.522 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)C2(C(=O)[O-])CC=CC2)n1 ZINC001593687535 953998771 /nfs/dbraw/zinc/99/87/71/953998771.db2.gz SQBGZEUTVRSVSH-UHFFFAOYSA-N -1 0 307.310 -0.274 20 0 DBADRM CN(C)C(=O)NC1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001593687699 954000481 /nfs/dbraw/zinc/00/04/81/954000481.db2.gz ZFQDVQAUWJBWGH-AWEZNQCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593688309 954003613 /nfs/dbraw/zinc/00/36/13/954003613.db2.gz KDBQBTYTASVMEF-UHFFFAOYSA-N -1 0 307.306 -0.795 20 0 DBADRM C[C@@H]1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C(=O)[O-] ZINC001589352537 954087260 /nfs/dbraw/zinc/08/72/60/954087260.db2.gz CLNPUKVIGVPZCV-MXWKQRLJSA-N -1 0 318.395 -0.668 20 0 DBADRM C[C@H]1CCN(C(=S)NCCNS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC001589353560 954106470 /nfs/dbraw/zinc/10/64/70/954106470.db2.gz VHPGPBINEFIFEV-DTWKUNHWSA-N -1 0 323.440 -0.547 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)CCN2CCOC2=O)C[C@H]1C(=O)[O-] ZINC001589355609 954135211 /nfs/dbraw/zinc/13/52/11/954135211.db2.gz PFDGMEXWYSHPHQ-NXEZZACHSA-N -1 0 320.367 -0.189 20 0 DBADRM O=C([O-])C1(C(=O)N2CC[C@H](CO)C2)CCS(=O)(=O)CC1 ZINC001594845940 954146272 /nfs/dbraw/zinc/14/62/72/954146272.db2.gz HOJFTNHPWVIMDS-VIFPVBQESA-N -1 0 305.352 -0.893 20 0 DBADRM C[C@H]1CCOCCN1C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589360480 954151619 /nfs/dbraw/zinc/15/16/19/954151619.db2.gz BCZICOZRGRTHML-VIFPVBQESA-N -1 0 310.310 -0.456 20 0 DBADRM C[C@@H]1CCOCCN1C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589360479 954151751 /nfs/dbraw/zinc/15/17/51/954151751.db2.gz BCZICOZRGRTHML-SECBINFHSA-N -1 0 310.310 -0.456 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(NC(=O)NCC(=O)[O-])nc1 ZINC001593707582 954153215 /nfs/dbraw/zinc/15/32/15/954153215.db2.gz RZJOKRCCCDUTDS-UHFFFAOYSA-N -1 0 302.312 -0.462 20 0 DBADRM C[C@H]1CCN(c2nnnn2CCN2CCOCC2)C[C@H]1C(=O)[O-] ZINC001589360794 954154277 /nfs/dbraw/zinc/15/42/77/954154277.db2.gz DVQZOIDGEBMVLN-NWDGAFQWSA-N -1 0 324.385 -0.448 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN1CCC[C@@H](C(=O)[O-])C1 ZINC001593708442 954161210 /nfs/dbraw/zinc/16/12/10/954161210.db2.gz AWEJNTVWOPQASY-SNVBAGLBSA-N -1 0 316.383 -0.166 20 0 DBADRM C[C@H]1CCN(c2nnc(CS(C)(=O)=O)n2C)C[C@@H]1C(=O)[O-] ZINC001589362598 954161954 /nfs/dbraw/zinc/16/19/54/954161954.db2.gz QAUDKNWHMIBFBQ-IUCAKERBSA-N -1 0 316.383 -0.093 20 0 DBADRM O=C([O-])C1(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)CCOCC1 ZINC001594848775 954162507 /nfs/dbraw/zinc/16/25/07/954162507.db2.gz ARWRPDLAZKEQGA-LLVKDONJSA-N -1 0 324.337 -0.613 20 0 DBADRM C[C@@H]1[C@H](O)CCCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001589364922 954182388 /nfs/dbraw/zinc/18/23/88/954182388.db2.gz DBSFTPWJTIPFDD-DDHJBXDOSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](O)[C@H]2C)CC[C@H]1C(=O)[O-] ZINC001589364923 954182743 /nfs/dbraw/zinc/18/27/43/954182743.db2.gz DBSFTPWJTIPFDD-IRCOFANPSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[C@@H]1C(=O)[O-] ZINC001589365595 954188300 /nfs/dbraw/zinc/18/83/00/954188300.db2.gz QZEZGPMVWCGUDD-MROQNXINSA-N -1 0 323.393 -0.282 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N[C@@H](CO)CN2CCOCC2)CC=CCC1 ZINC001594851572 954195891 /nfs/dbraw/zinc/19/58/91/954195891.db2.gz APVWISFRMIJELM-DOMZBBRYSA-N -1 0 312.366 -0.393 20 0 DBADRM CN(C)c1cccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC001593714855 954204016 /nfs/dbraw/zinc/20/40/16/954204016.db2.gz SDYZOCMFUYTTTF-SNVBAGLBSA-N -1 0 320.349 -0.303 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H](CO)CC2OCCO2)CCSCC1 ZINC001594852467 954206210 /nfs/dbraw/zinc/20/62/10/954206210.db2.gz VBEMXEXBPVGPSL-SECBINFHSA-N -1 0 319.379 -0.176 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCC[S@@](C)=O)CC[C@H]1C(=O)[O-] ZINC001589367375 954207211 /nfs/dbraw/zinc/20/72/11/954207211.db2.gz WCNCSEPVSMEESH-ZUNJMDCASA-N -1 0 304.368 -0.950 20 0 DBADRM C[C@H]1CN(C(=O)C2CN(S(C)(=O)=O)C2)CC[C@H]1C(=O)[O-] ZINC001589371887 954213951 /nfs/dbraw/zinc/21/39/51/954213951.db2.gz HHSOLPSYIDCRBK-WCBMZHEXSA-N -1 0 304.368 -0.553 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CCOCC1 ZINC001594854819 954217557 /nfs/dbraw/zinc/21/75/57/954217557.db2.gz UJENTALUBWZTLX-GFCCVEGCSA-N -1 0 314.382 -0.169 20 0 DBADRM CN(C)c1ncc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)n1C ZINC001593715819 954218375 /nfs/dbraw/zinc/21/83/75/954218375.db2.gz ZBZVNDXZQXNBHX-VIFPVBQESA-N -1 0 323.353 -0.965 20 0 DBADRM Cn1nccc1[C@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C(=O)[O-] ZINC001593716469 954221998 /nfs/dbraw/zinc/22/19/98/954221998.db2.gz NLPAHVQOFGRMDL-XWIASGKRSA-N -1 0 310.354 -0.493 20 0 DBADRM O=C([O-])[C@]1(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)CC=CCC1 ZINC001594855765 954231825 /nfs/dbraw/zinc/23/18/25/954231825.db2.gz CIIFEJQFJVIJSK-CHWSQXEVSA-N -1 0 317.363 -0.537 20 0 DBADRM C[C@H]1CN(C(=O)C2(CC(=O)[O-])CCOCC2)C[C@@H](CO)O1 ZINC001589375095 954246289 /nfs/dbraw/zinc/24/62/89/954246289.db2.gz PKHAZNFAZOABLO-QWRGUYRKSA-N -1 0 301.339 -0.134 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CC[C@@H]1C(=O)[O-] ZINC001589375727 954253219 /nfs/dbraw/zinc/25/32/19/954253219.db2.gz OJWQUJDDRJKFEE-MNOVXSKESA-N -1 0 318.395 -0.714 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@H]2CCCCO2)CCS(=O)(=O)CC1 ZINC001594858689 954257177 /nfs/dbraw/zinc/25/71/77/954257177.db2.gz AYQXPXSMKVAAOJ-JTQLQIEISA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)CCOCC1 ZINC001594859382 954264312 /nfs/dbraw/zinc/26/43/12/954264312.db2.gz HGGNCGBFWRHJLK-JTQLQIEISA-N -1 0 319.379 -0.191 20 0 DBADRM C[C@H]1CN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CCO1 ZINC001589377333 954273504 /nfs/dbraw/zinc/27/35/04/954273504.db2.gz KNUBSUYIHOEVNH-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[C@@H]1C(=O)[O-] ZINC001589377737 954278734 /nfs/dbraw/zinc/27/87/34/954278734.db2.gz SCXAIHGIKJFRPQ-ZJUUUORDSA-N -1 0 319.321 -0.540 20 0 DBADRM CN(C[C@H](O)C(F)(F)F)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593728005 954297206 /nfs/dbraw/zinc/29/72/06/954297206.db2.gz XMXOIOPGYKHGAY-BQBZGAKWSA-N -1 0 320.289 -0.365 20 0 DBADRM C[C@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@H]1C(=O)[O-] ZINC001589383993 954301219 /nfs/dbraw/zinc/30/12/19/954301219.db2.gz SEZWIRMQYAMRGW-NKWVEPMBSA-N -1 0 316.339 -0.760 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593728776 954301588 /nfs/dbraw/zinc/30/15/88/954301588.db2.gz NDZULWPGFSZIPH-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])C1(C(=O)NCc2ccncc2)CCS(=O)(=O)CC1 ZINC001594863738 954303767 /nfs/dbraw/zinc/30/37/67/954303767.db2.gz SAIRCODPUSJCBP-UHFFFAOYSA-N -1 0 312.347 -0.023 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000385558487 972003109 /nfs/dbraw/zinc/00/31/09/972003109.db2.gz OQUAIBHUPUVHCB-UHFFFAOYSA-N -1 0 315.351 -0.352 20 0 DBADRM CN(C[C@H]1CCCOC1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001593729801 954312564 /nfs/dbraw/zinc/31/25/64/954312564.db2.gz PZRQQWYXWGIVKF-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC001593730964 954316077 /nfs/dbraw/zinc/31/60/77/954316077.db2.gz ATAUBHQYENHDTB-UHFFFAOYSA-N -1 0 311.269 -0.204 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC001593731269 954317823 /nfs/dbraw/zinc/31/78/23/954317823.db2.gz HUEOHELZILKFJW-UHFFFAOYSA-N -1 0 321.337 -0.942 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC001593731662 954320904 /nfs/dbraw/zinc/32/09/04/954320904.db2.gz RQVDCIRLGMEVDS-UHFFFAOYSA-N -1 0 307.306 -0.414 20 0 DBADRM CN(CCC(N)=O)C(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001593742102 954359233 /nfs/dbraw/zinc/35/92/33/954359233.db2.gz RDCYQBBWSOXQEL-SNVBAGLBSA-N -1 0 313.354 -0.576 20 0 DBADRM O=C([O-])C1(C(=O)OC[C@@]2(F)CCOC2)CCS(=O)(=O)CC1 ZINC001594874630 954368772 /nfs/dbraw/zinc/36/87/72/954368772.db2.gz CYNUTJNLLOOLQT-LLVKDONJSA-N -1 0 324.326 -0.062 20 0 DBADRM C[C@H]1OCC[C@]12CN([C@@H]1CCN(CC(=O)[O-])C1=O)C[C@@H](C)O2 ZINC001589395973 954371697 /nfs/dbraw/zinc/37/16/97/954371697.db2.gz PXHVYMHZZZHOFZ-BLTAXRJOSA-N -1 0 312.366 -0.060 20 0 DBADRM CN(CCS(=O)(=O)CC(=O)[O-])Cc1nnc2ccccn21 ZINC001593755597 954450421 /nfs/dbraw/zinc/45/04/21/954450421.db2.gz NCVLFVDYWSCLPQ-UHFFFAOYSA-N -1 0 312.351 -0.340 20 0 DBADRM CN(Cc1cc[nH]n1)C(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001593755776 954451293 /nfs/dbraw/zinc/45/12/93/954451293.db2.gz QNFWSZBYDNNMNH-UHFFFAOYSA-N -1 0 324.337 -0.634 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)C1 ZINC001594884905 954454151 /nfs/dbraw/zinc/45/41/51/954454151.db2.gz AQHPROZTLDHMBL-GXSJLCMTSA-N -1 0 323.309 -0.837 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)C1 ZINC001594885010 954455130 /nfs/dbraw/zinc/45/51/30/954455130.db2.gz CKAINRTXWOMVQR-LDYMZIIASA-N -1 0 309.322 -0.267 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)C1 ZINC001594885815 954461437 /nfs/dbraw/zinc/46/14/37/954461437.db2.gz NCIYWNOYFONQAG-RCOVLWMOSA-N -1 0 322.277 -0.567 20 0 DBADRM CN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001593759748 954473153 /nfs/dbraw/zinc/47/31/53/954473153.db2.gz HJMJLLCGHQWLQS-LBPRGKRZSA-N -1 0 319.317 -0.009 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589407421 954473256 /nfs/dbraw/zinc/47/32/56/954473256.db2.gz SKNALWDIZTWJIY-KCJUWKMLSA-N -1 0 323.305 -0.674 20 0 DBADRM C[C@H]1CS(=O)(=O)CCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001589408224 954485118 /nfs/dbraw/zinc/48/51/18/954485118.db2.gz ASZWLMINQZBUPK-UWVGGRQHSA-N -1 0 304.368 -0.819 20 0 DBADRM C[C@@H]1COCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001589408225 954485550 /nfs/dbraw/zinc/48/55/50/954485550.db2.gz HPIBCCDOBWYWKS-BBBLOLIVSA-N -1 0 305.352 -0.631 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCc2ccc3c(c2)C(=O)NCC3)C1 ZINC001594888918 954495839 /nfs/dbraw/zinc/49/58/39/954495839.db2.gz HNFWNECOYQWLNR-LBPRGKRZSA-N -1 0 317.301 -0.182 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001589408997 954498073 /nfs/dbraw/zinc/49/80/73/954498073.db2.gz QTUWIEWKEGISEJ-GMTAPVOTSA-N -1 0 319.379 -0.098 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)C1 ZINC001594889566 954503900 /nfs/dbraw/zinc/50/39/00/954503900.db2.gz IFUAPYGQIZCNPH-UTLUCORTSA-N -1 0 316.335 -0.606 20 0 DBADRM CN(Cc1nc[nH]n1)C(=O)NCCOCCOCC(=O)[O-] ZINC001593765448 954512716 /nfs/dbraw/zinc/51/27/16/954512716.db2.gz PTVXQNAVOWVSRO-UHFFFAOYSA-N -1 0 301.303 -0.936 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@@H]2Cc3ccccc3NC2=O)C1 ZINC001594890548 954518535 /nfs/dbraw/zinc/51/85/35/954518535.db2.gz JIHRGSJJKARSFS-KOLCDFICSA-N -1 0 303.274 -0.105 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NC2CCN(C(=O)C3CC3)CC2)C1 ZINC001594890950 954522861 /nfs/dbraw/zinc/52/28/61/954522861.db2.gz MBYPGMZZERMHPZ-LLVKDONJSA-N -1 0 309.322 -0.267 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NC2CCN(c3cccnn3)CC2)C1 ZINC001594891014 954524467 /nfs/dbraw/zinc/52/44/67/954524467.db2.gz KZKYJIJJZGRSKQ-NSHDSACASA-N -1 0 319.321 -0.209 20 0 DBADRM CN1CC(=O)Nc2cc(C(=O)NC[C@](C)(O)C(=O)[O-])cnc21 ZINC001593772229 954549304 /nfs/dbraw/zinc/54/93/04/954549304.db2.gz CIYHRQGUHHFIIZ-ZDUSSCGKSA-N -1 0 308.294 -0.965 20 0 DBADRM CN1C[C@H](COC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1=O ZINC001593772284 954549913 /nfs/dbraw/zinc/54/99/13/954549913.db2.gz FNPRAVXFCUEVMY-ZJUUUORDSA-N -1 0 312.322 -0.669 20 0 DBADRM CN1C[C@@H](COC(=O)c2cccn(CC(=O)[O-])c2=O)CC1=O ZINC001593772338 954551219 /nfs/dbraw/zinc/55/12/19/954551219.db2.gz HQCGIMPTLFDJJU-VIFPVBQESA-N -1 0 308.290 -0.432 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)CC1=O ZINC001593772459 954552126 /nfs/dbraw/zinc/55/21/26/954552126.db2.gz LFTUHLDLEXDYGY-PAPNWUEJSA-N -1 0 310.350 -0.007 20 0 DBADRM CN1C[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])c2ccccc2C1=O ZINC001593772663 954555275 /nfs/dbraw/zinc/55/52/75/954555275.db2.gz OBLXKTFZEALWBY-XHDPSFHLSA-N -1 0 306.318 -0.192 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589416788 954557086 /nfs/dbraw/zinc/55/70/86/954557086.db2.gz QTARMWHVSRFMSS-OTYXRUKQSA-N -1 0 310.306 -0.797 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)NC1=O ZINC001593773058 954558835 /nfs/dbraw/zinc/55/88/35/954558835.db2.gz XEGRGULWGJWUAV-USQDWFKJSA-N -1 0 311.338 -0.461 20 0 DBADRM CN1C[C@H](O)C[C@@H]1c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C ZINC001593773483 954563691 /nfs/dbraw/zinc/56/36/91/954563691.db2.gz GQZNWYGUOUGLDZ-HBNTYKKESA-N -1 0 309.370 -0.146 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001594896108 954566509 /nfs/dbraw/zinc/56/65/09/954566509.db2.gz MGXCCYPEXKLWEV-ONGXEEELSA-N -1 0 323.349 -0.953 20 0 DBADRM C[C@@H]1OCC[C@@H]1N(CCO)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589418002 954573374 /nfs/dbraw/zinc/57/33/74/954573374.db2.gz YYZYQWQWEHHXPI-UWVGGRQHSA-N -1 0 312.326 -0.029 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)C1=O ZINC001593774082 954576774 /nfs/dbraw/zinc/57/67/74/954576774.db2.gz MLQTTYDHBJXQEL-DTWKUNHWSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCC[C@@H](C(=O)NC3CC3)C2)C1 ZINC001594897578 954581299 /nfs/dbraw/zinc/58/12/99/954581299.db2.gz ADHBJIFVWYKJEM-GHMZBOCLSA-N -1 0 309.366 -0.132 20 0 DBADRM CN1CC[C@@H](C(=O)NCC2(C(=O)[O-])CCOCC2)S1(=O)=O ZINC001593774532 954584633 /nfs/dbraw/zinc/58/46/33/954584633.db2.gz OQBDNLXKRHFCDJ-VIFPVBQESA-N -1 0 320.367 -0.982 20 0 DBADRM CN1CC[C@H](C(=O)NCC2(C(=O)[O-])CCOCC2)S1(=O)=O ZINC001593774531 954584839 /nfs/dbraw/zinc/58/48/39/954584839.db2.gz OQBDNLXKRHFCDJ-SECBINFHSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001594898265 954589891 /nfs/dbraw/zinc/58/98/91/954589891.db2.gz ZVZREXCEZPYJFO-MRVPVSSYSA-N -1 0 307.310 -0.658 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(c3cnc(CO)cn3)CC2)C1 ZINC001594898491 954593624 /nfs/dbraw/zinc/59/36/24/954593624.db2.gz LOGORWRCCBROCO-JTQLQIEISA-N -1 0 320.349 -0.129 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCC[C@@H]2CN2CCOCC2)C1 ZINC001594898926 954598590 /nfs/dbraw/zinc/59/85/90/954598590.db2.gz VFLDWGQDIKEEFE-CHWSQXEVSA-N -1 0 311.382 -0.326 20 0 DBADRM C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001593780271 954641747 /nfs/dbraw/zinc/64/17/47/954641747.db2.gz XHSZRGJLPSARFT-UHFFFAOYSA-N -1 0 309.326 -0.930 20 0 DBADRM CN1CCC[C@@H](OC(=O)c2cccn(CC(=O)[O-])c2=O)C1=O ZINC001593781746 954678355 /nfs/dbraw/zinc/67/83/55/954678355.db2.gz WIUMNVFXQJCTPQ-SNVBAGLBSA-N -1 0 308.290 -0.290 20 0 DBADRM CN1CCOC[C@]1(CO)CNC(=O)NCCC(C)(C)C(=O)[O-] ZINC001593787314 954721297 /nfs/dbraw/zinc/72/12/97/954721297.db2.gz BEECWFWJBRNYMY-CQSZACIVSA-N -1 0 317.386 -0.520 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001593787469 954724206 /nfs/dbraw/zinc/72/42/06/954724206.db2.gz KYDOZFPUVJUSSR-GRYCIOLGSA-N -1 0 300.355 -0.297 20 0 DBADRM O=C([O-])C1CCN(C(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)CC1 ZINC001594914316 954725804 /nfs/dbraw/zinc/72/58/04/954725804.db2.gz BBHDTDPNCGPUQV-VXGBXAGGSA-N -1 0 320.349 -0.261 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCC3(C2)CCOCC3)C1 ZINC001594915909 954750637 /nfs/dbraw/zinc/75/06/37/954750637.db2.gz HVADBVJSTBYEBY-NSHDSACASA-N -1 0 310.350 -0.051 20 0 DBADRM CNC(=O)CCCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC001593790595 954755197 /nfs/dbraw/zinc/75/51/97/954755197.db2.gz BSMIEBXFVHKAQS-VIFPVBQESA-N -1 0 301.343 -0.660 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@H](n3cccn3)C2)C1 ZINC001594916304 954756432 /nfs/dbraw/zinc/75/64/32/954756432.db2.gz MEXXBJVKFDOMPQ-QWRGUYRKSA-N -1 0 306.322 -0.410 20 0 DBADRM CNC(=O)CCCN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001593791240 954759546 /nfs/dbraw/zinc/75/95/46/954759546.db2.gz UTDLARLDBPKSHX-UHFFFAOYSA-N -1 0 321.399 -0.514 20 0 DBADRM CNC(=O)CC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001593792402 954767331 /nfs/dbraw/zinc/76/73/31/954767331.db2.gz YPCRALQIYMCXMV-VIFPVBQESA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)C1 ZINC001594917312 954768370 /nfs/dbraw/zinc/76/83/70/954768370.db2.gz RJFRHMJQJUBSPS-LLVKDONJSA-N -1 0 309.366 -0.384 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001594917689 954774211 /nfs/dbraw/zinc/77/42/11/954774211.db2.gz WKPAVUCJTBJZJV-IJLUTSLNSA-N -1 0 310.350 -0.053 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)n1 ZINC001593793030 954775063 /nfs/dbraw/zinc/77/50/63/954775063.db2.gz HUOFUFMOVNFWRU-IHWYPQMZSA-N -1 0 319.277 -0.033 20 0 DBADRM CNC(=O)CNC(=O)c1cccc(NC(=O)N[C@H](C)C(=O)[O-])c1 ZINC001593793371 954780774 /nfs/dbraw/zinc/78/07/74/954780774.db2.gz MHEMEALXFLUHBD-MRVPVSSYSA-N -1 0 322.321 -0.243 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)n1 ZINC001593793444 954781642 /nfs/dbraw/zinc/78/16/42/954781642.db2.gz PNZFTLSLCUYOMY-HYXAFXHYSA-N -1 0 319.277 -0.033 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)[C@H](C(=O)[O-])C(C)C)CCO1 ZINC001593794515 954795345 /nfs/dbraw/zinc/79/53/45/954795345.db2.gz AYJKWECIZPEPHO-VHSXEESVSA-N -1 0 301.343 -0.500 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001593794552 954795489 /nfs/dbraw/zinc/79/54/89/954795489.db2.gz CULDVVLABMYSER-VWYCJHECSA-N -1 0 313.354 -0.356 20 0 DBADRM CNC(=O)c1c(C)[nH]nc1NC(=O)C1(C(=O)[O-])CCOCC1 ZINC001593794376 954796029 /nfs/dbraw/zinc/79/60/29/954796029.db2.gz MPVWOGIANBZJCX-UHFFFAOYSA-N -1 0 310.310 -0.102 20 0 DBADRM CNC(=O)N[C@@H]1CCN(C(=O)C2(CC(=O)[O-])CCOCC2)C1 ZINC001593794614 954797230 /nfs/dbraw/zinc/79/72/30/954797230.db2.gz FBQBDGKVASOTLL-SNVBAGLBSA-N -1 0 313.354 -0.212 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)CCCCC(=O)[O-] ZINC001593795182 954804755 /nfs/dbraw/zinc/80/47/55/954804755.db2.gz OSWMGDCTYXEGKM-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM CNC(=O)c1ccc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1 ZINC001593796859 954811638 /nfs/dbraw/zinc/81/16/38/954811638.db2.gz NEXDGENBGVCZNV-LLVKDONJSA-N -1 0 305.290 -0.108 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(N3CCOCC3)ncn2)C1 ZINC001594925636 954815287 /nfs/dbraw/zinc/81/52/87/954815287.db2.gz PSINSUCIOMBEBQ-SNVBAGLBSA-N -1 0 306.322 -0.140 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H](C)CC(=O)[O-])C1 ZINC001593797514 954819510 /nfs/dbraw/zinc/81/95/10/954819510.db2.gz LWFLPALGYLOXIE-RKDXNWHRSA-N -1 0 307.372 -0.427 20 0 DBADRM CNC(=O)c1cccc(C(=O)NC2(C(=O)[O-])CCOCC2)n1 ZINC001593798389 954833525 /nfs/dbraw/zinc/83/35/25/954833525.db2.gz ALEIWYDYKNIJJQ-UHFFFAOYSA-N -1 0 307.306 -0.195 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)n1 ZINC001593798675 954839179 /nfs/dbraw/zinc/83/91/79/954839179.db2.gz OVIJQZIKTXJILY-NSHDSACASA-N -1 0 317.305 -0.270 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)c1 ZINC001593798753 954840740 /nfs/dbraw/zinc/84/07/40/954840740.db2.gz UPMHJVOOADBOQN-NSHDSACASA-N -1 0 305.290 -0.108 20 0 DBADRM O=C([O-])C1CCN(Cc2cn(CC(=O)N3CCC3)nn2)CC1 ZINC001594934020 954845912 /nfs/dbraw/zinc/84/59/12/954845912.db2.gz QHFNMQOLAUAUNC-UHFFFAOYSA-N -1 0 307.354 -0.193 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC001594934817 954846991 /nfs/dbraw/zinc/84/69/91/954846991.db2.gz AVEKJQQXTSZUQG-PWSUYJOCSA-N -1 0 304.368 -0.658 20 0 DBADRM CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](C)C(=O)[O-])c1 ZINC001593801115 954848187 /nfs/dbraw/zinc/84/81/87/954848187.db2.gz DKWJAYSWKLDTDA-ZCFIWIBFSA-N -1 0 302.308 -0.041 20 0 DBADRM CNS(=O)(=O)c1ccc(CN2CCO[C@H](C(=O)[O-])C2)cc1 ZINC001593802277 954858318 /nfs/dbraw/zinc/85/83/18/954858318.db2.gz WMVVCLXHZSFFFT-LBPRGKRZSA-N -1 0 314.363 -0.120 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC001594935752 954858616 /nfs/dbraw/zinc/85/86/16/954858616.db2.gz XFHZZWPCKLBBSQ-PHIMTYICSA-N -1 0 320.367 -0.873 20 0 DBADRM CC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589459274 954859610 /nfs/dbraw/zinc/85/96/10/954859610.db2.gz ZLYUTULNGWALGM-UTLUCORTSA-N -1 0 321.399 -0.327 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@H](CCO)C2CC2)CC1 ZINC001594935775 954860553 /nfs/dbraw/zinc/86/05/53/954860553.db2.gz YHLVXQMJQGYTOG-LLVKDONJSA-N -1 0 306.384 -0.222 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@H]2CCn3ccnc32)CC1 ZINC001594939197 954865217 /nfs/dbraw/zinc/86/52/17/954865217.db2.gz KHNWWORYVVRFSR-JTQLQIEISA-N -1 0 314.367 -0.041 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC001594940685 954885853 /nfs/dbraw/zinc/88/58/53/954885853.db2.gz MJOGQLNMIGSPCU-SCZZXKLOSA-N -1 0 306.326 -0.480 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC001594940684 954885951 /nfs/dbraw/zinc/88/59/51/954885951.db2.gz MJOGQLNMIGSPCU-PSASIEDQSA-N -1 0 306.326 -0.480 20 0 DBADRM CNc1nnc(CC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)s1 ZINC001593804838 954889453 /nfs/dbraw/zinc/88/94/53/954889453.db2.gz VINHLJARIRCVDL-MADCSZMMSA-N -1 0 312.351 -0.318 20 0 DBADRM O=C([O-])C1CN(C(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)C1 ZINC001594941564 954901103 /nfs/dbraw/zinc/90/11/03/954901103.db2.gz UFAXMBQXAVYXFG-OLZOCXBDSA-N -1 0 322.361 -0.029 20 0 DBADRM O=C([O-])C1CN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC001594942574 954905201 /nfs/dbraw/zinc/90/52/01/954905201.db2.gz MXCKQMXUXWMWLE-JTQLQIEISA-N -1 0 311.319 -0.741 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC001594947353 954922133 /nfs/dbraw/zinc/92/21/33/954922133.db2.gz NTQOUTSKKZXBQO-ZJUUUORDSA-N -1 0 320.367 -0.694 20 0 DBADRM O=C([O-])C1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC001594947405 954923112 /nfs/dbraw/zinc/92/31/12/954923112.db2.gz QULNYQFXSXXZJT-UHFFFAOYSA-N -1 0 303.274 -0.355 20 0 DBADRM COC(=O)[C@@H](COC1CCC1)N(C)C(=O)[C@H](OC)C(=O)[O-] ZINC001593809821 954924272 /nfs/dbraw/zinc/92/42/72/954924272.db2.gz BYRWULWKYPQGSC-ZJUUUORDSA-N -1 0 303.311 -0.345 20 0 DBADRM COC(=O)[C@H](NC(=O)[C@H](OC)C(=O)[O-])[C@H]1CCC[C@H](OC)C1 ZINC001593810289 954929124 /nfs/dbraw/zinc/92/91/24/954929124.db2.gz GWLOVRHURWKJJR-MMWGEVLESA-N -1 0 317.338 -0.051 20 0 DBADRM COC(=O)[C@@H](Cn1ccnc1)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001593810311 954929207 /nfs/dbraw/zinc/92/92/07/954929207.db2.gz HFSPHXBJGORWHN-LLVKDONJSA-N -1 0 318.289 -0.052 20 0 DBADRM COC(=O)[C@H](NC(=O)[C@H](OC)C(=O)[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC001593810287 954929320 /nfs/dbraw/zinc/92/93/20/954929320.db2.gz GWLOVRHURWKJJR-DBIOUOCHSA-N -1 0 317.338 -0.051 20 0 DBADRM COC(=O)[C@@H](Cn1ccnc1)NC(=O)c1ccc(C(=O)[O-])cn1 ZINC001593811092 954939176 /nfs/dbraw/zinc/93/91/76/954939176.db2.gz MXJXIEBKONHVHF-LLVKDONJSA-N -1 0 318.289 -0.052 20 0 DBADRM COC(=O)[C@H](NCC(=O)NCC(=O)[O-])c1ccc2c(c1)CCO2 ZINC001593811141 954940391 /nfs/dbraw/zinc/94/03/91/954940391.db2.gz KNHADKMPJDWBRH-CQSZACIVSA-N -1 0 322.317 -0.374 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCOC3)CCO1 ZINC001594948980 954942446 /nfs/dbraw/zinc/94/24/46/954942446.db2.gz QMSIGPUGPBCUIH-NSHDSACASA-N -1 0 308.290 -0.215 20 0 DBADRM COC(=O)[C@@H](Cn1cncn1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001593811325 954942869 /nfs/dbraw/zinc/94/28/69/954942869.db2.gz PSYRAOKRHTWRDI-LLVKDONJSA-N -1 0 318.289 -0.052 20 0 DBADRM COC(=O)[C@H](CNC(=O)c1cnc(C(=O)[O-])cn1)[C@@H]1CCOC1 ZINC001593811584 954945586 /nfs/dbraw/zinc/94/55/86/954945586.db2.gz QVWWKKBYBKDPQF-RKDXNWHRSA-N -1 0 323.305 -0.270 20 0 DBADRM COC(=O)[C@H](CNC(=O)c1cnc(C(=O)[O-])cn1)[C@H]1CCOC1 ZINC001593811582 954945967 /nfs/dbraw/zinc/94/59/67/954945967.db2.gz QVWWKKBYBKDPQF-DTWKUNHWSA-N -1 0 323.305 -0.270 20 0 DBADRM COC(=O)[C@H](O)C1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001593811751 954948398 /nfs/dbraw/zinc/94/83/98/954948398.db2.gz RTIFPRKOHBDBJX-YGRLFVJLSA-N -1 0 315.322 -0.607 20 0 DBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593812101 954953821 /nfs/dbraw/zinc/95/38/21/954953821.db2.gz YLZFXGYSPFAQFI-AEJSXWLSSA-N -1 0 310.310 -0.563 20 0 DBADRM O=C([O-])C1CN(C(=O)c2cccn2CCN2CCOCC2)C1 ZINC001594951641 954957854 /nfs/dbraw/zinc/95/78/54/954957854.db2.gz YMYNXCOVTPRZBB-UHFFFAOYSA-N -1 0 307.350 -0.023 20 0 DBADRM COC(=O)[C@]1(C(F)(F)F)CCN(CC(=O)NCC(=O)[O-])C1 ZINC001593813303 954968698 /nfs/dbraw/zinc/96/86/98/954968698.db2.gz PEJIWONLHITJOX-JTQLQIEISA-N -1 0 312.244 -0.385 20 0 DBADRM CSc1nc(=O)[nH]c(C)c1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000386520904 972061872 /nfs/dbraw/zinc/06/18/72/972061872.db2.gz XSCALKPQNSINSK-GFCCVEGCSA-N -1 0 313.335 -0.126 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2CC[C@@H]2CCCCO2)CCO1 ZINC001594954508 954975962 /nfs/dbraw/zinc/97/59/62/954975962.db2.gz HLHYTDVKKZHTQE-QWRGUYRKSA-N -1 0 311.342 -0.078 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nc3ccccc3n3nnnc23)CCO1 ZINC001594954787 954980013 /nfs/dbraw/zinc/98/00/13/954980013.db2.gz XMCKZHRKEQAQOT-JTQLQIEISA-N -1 0 300.278 -0.038 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)CCO1 ZINC001594954919 954984081 /nfs/dbraw/zinc/98/40/81/954984081.db2.gz GSFNELNGJNRRMT-YPMHNXCESA-N -1 0 318.395 -0.413 20 0 DBADRM COC(=O)C1(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCC1 ZINC001593814237 954983897 /nfs/dbraw/zinc/98/38/97/954983897.db2.gz LFAFWORMXDQYPF-SECBINFHSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001594957282 954988861 /nfs/dbraw/zinc/98/88/61/954988861.db2.gz DRVVZJSDRNGGBF-SECBINFHSA-N -1 0 304.266 -0.813 20 0 DBADRM COC(=O)[C@@]1(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCSC1 ZINC001593814717 954990337 /nfs/dbraw/zinc/99/03/37/954990337.db2.gz QPMQVKWBMZCDES-RDDDGLTNSA-N -1 0 302.308 -0.619 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001593815075 954996123 /nfs/dbraw/zinc/99/61/23/954996123.db2.gz BDZVSQPRRINXCX-UKKRHICBSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001593816018 955002448 /nfs/dbraw/zinc/00/24/48/955002448.db2.gz MBLFMNZDWNQZJA-JGVFFNPUSA-N -1 0 309.278 -0.829 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001594959763 955002294 /nfs/dbraw/zinc/00/22/94/955002294.db2.gz FAVHRTKQLLEFBY-AKKLPLMASA-N -1 0 315.347 -0.880 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCN1CC[C@@H](F)C1 ZINC001594959797 955002425 /nfs/dbraw/zinc/00/24/25/955002425.db2.gz FWNGZTKXTFSOLE-ZJUUUORDSA-N -1 0 322.358 -0.870 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@H]1CCCC[C@@H]1O ZINC001594960010 955005789 /nfs/dbraw/zinc/00/57/89/955005789.db2.gz MLCBQAZEKKCNJV-VWYCJHECSA-N -1 0 319.379 -0.362 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001594960177 955008398 /nfs/dbraw/zinc/00/83/98/955008398.db2.gz RKDCFVJFXOTVDX-IWTNGPMKSA-N -1 0 313.375 -0.011 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001593816926 955009552 /nfs/dbraw/zinc/00/95/52/955009552.db2.gz VQJKSMZADXQYHG-WPRPVWTQSA-N -1 0 310.310 -0.224 20 0 DBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1cc(C(=O)[O-])nn1C ZINC001593817148 955011108 /nfs/dbraw/zinc/01/11/08/955011108.db2.gz ZWLXAPYFKOWPHU-UWVGGRQHSA-N -1 0 311.294 -0.743 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CCC(=O)N1CCCCC1 ZINC001594961924 955020158 /nfs/dbraw/zinc/02/01/58/955020158.db2.gz OPBWXMQOCRPCAT-LLVKDONJSA-N -1 0 318.395 -0.427 20 0 DBADRM CC(C)n1cnnc1SCC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000386529455 972062404 /nfs/dbraw/zinc/06/24/04/972062404.db2.gz ZEYQSIWCMQLYCO-GFCCVEGCSA-N -1 0 314.367 -0.001 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CCOCC(F)(F)F ZINC001594962373 955023344 /nfs/dbraw/zinc/02/33/44/955023344.db2.gz RWQCLFAZNLOFHS-SSDOTTSWSA-N -1 0 305.274 -0.251 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)C[C@@H]1CC(=O)N1)C[C@H]2C(=O)[O-] ZINC001593820059 955024765 /nfs/dbraw/zinc/02/47/65/955024765.db2.gz ICUDWZJVINTKPN-HJGICBPCSA-N -1 0 324.333 -0.623 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H]1CCC(=O)N1)C[C@H]2C(=O)[O-] ZINC001593822937 955057020 /nfs/dbraw/zinc/05/70/20/955057020.db2.gz DBSXOKKJIHVVCR-DNCVYYJJSA-N -1 0 324.333 -0.623 20 0 DBADRM Cn1nnc(Br)c1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000386577995 972065714 /nfs/dbraw/zinc/06/57/14/972065714.db2.gz SRYCBQDAUYHRTO-VIFPVBQESA-N -1 0 319.115 -0.761 20 0 DBADRM CC[C@@H](CCO)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589515282 955065930 /nfs/dbraw/zinc/06/59/30/955065930.db2.gz WNHMBMRLJAAGMP-QWRGUYRKSA-N -1 0 300.355 -0.166 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CC[C@H](C2OCCO2)C1)C(=O)[O-] ZINC001589517062 955069065 /nfs/dbraw/zinc/06/90/65/955069065.db2.gz AKTSABISKJEENW-ZJUUUORDSA-N -1 0 314.338 -0.565 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCOC[C@@H]1COC)C(=O)[O-] ZINC001589517241 955070843 /nfs/dbraw/zinc/07/08/43/955070843.db2.gz CRBRYEGMQBYSEU-ZJUUUORDSA-N -1 0 302.327 -0.913 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCSC[C@@H]1CCO)C(=O)[O-] ZINC001589518024 955077242 /nfs/dbraw/zinc/07/72/42/955077242.db2.gz JKAZVEYNQNSIHV-ZJUUUORDSA-N -1 0 318.395 -0.460 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1)C(=O)[O-] ZINC001589518710 955080844 /nfs/dbraw/zinc/08/08/44/955080844.db2.gz NKLNBJSXSVUIGP-YGRLFVJLSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])/C=C\c1cc(C(=O)NC[C@]2(CO)COCCN2)co1 ZINC001594968720 955083755 /nfs/dbraw/zinc/08/37/55/955083755.db2.gz BNXZWGDJKVRWKZ-BOPNBLERSA-N -1 0 310.306 -0.542 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCC[C@@](C)(CO)C1)C(=O)[O-] ZINC001589519350 955087240 /nfs/dbraw/zinc/08/72/40/955087240.db2.gz RSSMTYVCOIICKS-QMTHXVAHSA-N -1 0 300.355 -0.166 20 0 DBADRM O=C([O-])CC1(C(=O)N(CCO)CCN2CCOCC2)CCC1 ZINC001594970156 955103529 /nfs/dbraw/zinc/10/35/29/955103529.db2.gz DFYJATCFXBKFSS-UHFFFAOYSA-N -1 0 314.382 -0.216 20 0 DBADRM CC[C@@H](CNC(=O)CN1CCC[C@H](C(=O)OC)C1=O)C(=O)[O-] ZINC001589526304 955118717 /nfs/dbraw/zinc/11/87/17/955118717.db2.gz RGACAEJXUGWEAI-UWVGGRQHSA-N -1 0 314.338 -0.375 20 0 DBADRM COC(=O)C1CCN(C(=O)C(=O)NCCCCC(=O)[O-])CC1 ZINC001593827959 955118968 /nfs/dbraw/zinc/11/89/68/955118968.db2.gz AIDLIVFEJMZGNL-UHFFFAOYSA-N -1 0 314.338 -0.231 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(C(=O)[O-])n[nH]2)C1=O ZINC001593828222 955122733 /nfs/dbraw/zinc/12/27/33/955122733.db2.gz GOCRUQWKRDHMLO-SSDOTTSWSA-N -1 0 324.293 -0.542 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000386636344 972070814 /nfs/dbraw/zinc/07/08/14/972070814.db2.gz HRIADOZVXPLLAF-AOOOYVTPSA-N -1 0 324.314 -0.722 20 0 DBADRM COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3CC(C(=O)[O-])=NO3)[C@@H]2C1 ZINC001593829263 955134162 /nfs/dbraw/zinc/13/41/62/955134162.db2.gz FVOMBMVYTXXORI-BIIVNPBRSA-N -1 0 310.306 -0.080 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC001593829357 955135873 /nfs/dbraw/zinc/13/58/73/955135873.db2.gz QGBIWIQTURWPLW-LNLATYFQSA-N -1 0 323.367 -0.527 20 0 DBADRM CC[C@H](CNC(=O)N1CCN(CC(=O)N(C)C)CC1)C(=O)[O-] ZINC001589529866 955146577 /nfs/dbraw/zinc/14/65/77/955146577.db2.gz ZZKBJSULYLRXNU-LLVKDONJSA-N -1 0 314.386 -0.487 20 0 DBADRM COC(=O)CC(C)(C)CC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001593830923 955149937 /nfs/dbraw/zinc/14/99/37/955149937.db2.gz UCFBWULWPURLBV-UHFFFAOYSA-N -1 0 314.338 -0.279 20 0 DBADRM CC[C@H](CNC(=O)NCC1(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC001589535425 955158691 /nfs/dbraw/zinc/15/86/91/955158691.db2.gz RJOVLPGTYAYFBS-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001593833168 955169911 /nfs/dbraw/zinc/16/99/11/955169911.db2.gz QMPCKKKFRHZDKP-SNVBAGLBSA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001593834398 955174584 /nfs/dbraw/zinc/17/45/84/955174584.db2.gz LCZIVQZNQKJPAR-UHFFFAOYSA-N -1 0 314.338 -0.185 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC000386728853 972076396 /nfs/dbraw/zinc/07/63/96/972076396.db2.gz BONJDDBVBYGSQG-HZMBPMFUSA-N -1 0 306.322 -0.507 20 0 DBADRM CC[C@H](CNC(=O)NCc1cn(CC)c(=O)[nH]c1=O)C(=O)[O-] ZINC001589539409 955190719 /nfs/dbraw/zinc/19/07/19/955190719.db2.gz STHDELDTYFPPIR-MRVPVSSYSA-N -1 0 312.326 -0.121 20 0 DBADRM CC[C@H](CNC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001589550886 955214835 /nfs/dbraw/zinc/21/48/35/955214835.db2.gz MCFRCIVEDLBODF-HTQZYQBOSA-N -1 0 311.298 -0.773 20 0 DBADRM CC[C@H](CNC(=O)c1cccn(CC(=O)[O-])c1=O)C(=O)OC ZINC001589551128 955215295 /nfs/dbraw/zinc/21/52/95/955215295.db2.gz UYRMXUAUHGRWPF-SECBINFHSA-N -1 0 310.306 -0.138 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001593836131 955313601 /nfs/dbraw/zinc/31/36/01/955313601.db2.gz RLTPCQIASIULOF-SECBINFHSA-N -1 0 312.322 -0.526 20 0 DBADRM Cc1noc(CNC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)n1 ZINC001594499729 955314943 /nfs/dbraw/zinc/31/49/43/955314943.db2.gz ADODYNQHWKIOAG-SECBINFHSA-N -1 0 310.310 -0.292 20 0 DBADRM COC(=O)CCCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC001593837737 955325767 /nfs/dbraw/zinc/32/57/67/955325767.db2.gz YOYIFFFAPZZLOC-SECBINFHSA-N -1 0 302.327 -0.233 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)Cn1nnc2c1CCCC2 ZINC001593838848 955331681 /nfs/dbraw/zinc/33/16/81/955331681.db2.gz AXTCNKNXFKYHQZ-UHFFFAOYSA-N -1 0 324.337 -0.367 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001593838851 955333597 /nfs/dbraw/zinc/33/35/97/955333597.db2.gz BAYKHDBMWLGXOL-OUJBWJOFSA-N -1 0 315.322 -0.486 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)COCc1nccn1C ZINC001593839382 955341506 /nfs/dbraw/zinc/34/15/06/955341506.db2.gz VAVDXUHMIOLTFD-UHFFFAOYSA-N -1 0 313.310 -0.587 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CCCCN1C(C)=O ZINC001593839828 955350033 /nfs/dbraw/zinc/35/00/33/955350033.db2.gz XOCJIJMZCMUYKK-NSHDSACASA-N -1 0 314.338 -0.136 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000386885703 972088422 /nfs/dbraw/zinc/08/84/22/972088422.db2.gz YUSDBATUOCUZBX-UHFFFAOYSA-N -1 0 304.324 -0.108 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1cn2c(n1)COCC2 ZINC001593840007 955352557 /nfs/dbraw/zinc/35/25/57/955352557.db2.gz JCYDZMNIIBHSPO-UHFFFAOYSA-N -1 0 311.294 -0.497 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])[C@@H](C)C(=O)Nc1ncccn1 ZINC001593840669 955356699 /nfs/dbraw/zinc/35/66/99/955356699.db2.gz ALSLHCVYJCJAFV-VIFPVBQESA-N -1 0 310.310 -0.247 20 0 DBADRM CN(C(=O)NCCCCC(=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000386897876 972089179 /nfs/dbraw/zinc/08/91/79/972089179.db2.gz FUEPODKXNVOMOC-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)[C@H]1CCOC[C@H]1C ZINC001593841623 955370510 /nfs/dbraw/zinc/37/05/10/955370510.db2.gz FCFAUMJGAULTAO-ZJUUUORDSA-N -1 0 323.367 -0.309 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)[C@H]1CCOC[C@@H]1C ZINC001593841621 955370842 /nfs/dbraw/zinc/37/08/42/955370842.db2.gz FCFAUMJGAULTAO-UWVGGRQHSA-N -1 0 323.367 -0.309 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)CC1(N(C)C)CC1 ZINC001593841655 955371505 /nfs/dbraw/zinc/37/15/05/955371505.db2.gz GABRWGVNSGPDQV-UHFFFAOYSA-N -1 0 322.383 -0.640 20 0 DBADRM C[C@@H](CC(C)(C)O)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589007938 955378186 /nfs/dbraw/zinc/37/81/86/955378186.db2.gz SKQXQRNMTPMMNY-VHSXEESVSA-N -1 0 300.355 -0.025 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])c1ccc(S(C)(=O)=O)cn1 ZINC001593843122 955378557 /nfs/dbraw/zinc/37/85/57/955378557.db2.gz GNCZFXLYORYMAY-UHFFFAOYSA-N -1 0 316.335 -0.061 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CN1CCCCC1=O)C(=O)[O-] ZINC001593845085 955404727 /nfs/dbraw/zinc/40/47/27/955404727.db2.gz FEKUUWAWBWTZPN-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM COC(=O)CC[C@H](NC(=O)/C=C1/SCC(=O)N1C)C(=O)[O-] ZINC001593845521 955409218 /nfs/dbraw/zinc/40/92/18/955409218.db2.gz GIKCFOWXQMPMIF-OYSUNCFMSA-N -1 0 316.335 -0.444 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CCCN(C)C(=O)OC)C(=O)[O-] ZINC001593846054 955416436 /nfs/dbraw/zinc/41/64/36/955416436.db2.gz MERTXQMCRUUVQC-VIFPVBQESA-N -1 0 318.326 -0.013 20 0 DBADRM Cn1c(-c2cccnn2)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001594516256 955416588 /nfs/dbraw/zinc/41/65/88/955416588.db2.gz XVVNHMMGGHEOHQ-YMTOWFKASA-N -1 0 316.321 -0.191 20 0 DBADRM Cn1c([C@H]2CC=NO2)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001594517587 955426419 /nfs/dbraw/zinc/42/64/19/955426419.db2.gz DOAAGVFYTWUJGK-JRKPZEMJSA-N -1 0 307.310 -0.200 20 0 DBADRM Cn1c(=O)n2c(c1C(=O)N[C@@]1(C(=O)[O-])CCOC1)CCCC2 ZINC001594517885 955430470 /nfs/dbraw/zinc/43/04/70/955430470.db2.gz SHKSVFXWEZRYRT-AWEZNQCLSA-N -1 0 309.322 -0.503 20 0 DBADRM C[C@H](CCO)CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589015550 955433519 /nfs/dbraw/zinc/43/35/19/955433519.db2.gz QMTNIJPELUDSTC-MNOVXSKESA-N -1 0 315.370 -0.230 20 0 DBADRM Cn1c(=O)n2c(c1C(=O)N[C@]1(C(=O)[O-])CCOC1)CCCC2 ZINC001594517986 955433706 /nfs/dbraw/zinc/43/37/06/955433706.db2.gz SHKSVFXWEZRYRT-CQSZACIVSA-N -1 0 309.322 -0.503 20 0 DBADRM COC(=O)CCc1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC001593850068 955449449 /nfs/dbraw/zinc/44/94/49/955449449.db2.gz ZYILWTVVZCCWIO-UHFFFAOYSA-N -1 0 308.290 -0.069 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1)C(=O)[O-] ZINC001589019246 955449520 /nfs/dbraw/zinc/44/95/20/955449520.db2.gz CSFWDIIPVCGCIC-RKDXNWHRSA-N -1 0 321.324 -0.379 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)c1ccc(C(=O)[O-])nc1 ZINC001593850905 955455709 /nfs/dbraw/zinc/45/57/09/955455709.db2.gz VPOLRZQPJFPBNZ-ZETCQYMHSA-N -1 0 310.262 -0.386 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NCCC1(C)OCCO1)C(=O)[O-] ZINC001589019714 955457371 /nfs/dbraw/zinc/45/73/71/955457371.db2.gz IVHPLJINKANUBN-VIFPVBQESA-N -1 0 302.327 -0.565 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001594521875 955461566 /nfs/dbraw/zinc/46/15/66/955461566.db2.gz KWICJVVXXMMNJA-JGVFFNPUSA-N -1 0 314.367 -0.010 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001593851466 955463612 /nfs/dbraw/zinc/46/36/12/955463612.db2.gz PAESGJGTTZXZPC-UHFFFAOYSA-N -1 0 310.266 -0.810 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1)C(=O)[O-] ZINC001589020334 955464129 /nfs/dbraw/zinc/46/41/29/955464129.db2.gz RQMVMCOHMCHHSH-ZJUUUORDSA-N -1 0 313.354 -0.721 20 0 DBADRM COC(=O)COc1ccc(CN(C)CC(=O)NCC(=O)[O-])cc1 ZINC001593851537 955465378 /nfs/dbraw/zinc/46/53/78/955465378.db2.gz SSAJVVBATCDTDQ-UHFFFAOYSA-N -1 0 324.333 -0.129 20 0 DBADRM COC(=O)COCCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001593851580 955466320 /nfs/dbraw/zinc/46/63/20/955466320.db2.gz VQYYEZBSHTXNQW-WDEREUQCSA-N -1 0 314.338 -0.072 20 0 DBADRM C[C@@H](CN(C)C(=O)CNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC001589020953 955471670 /nfs/dbraw/zinc/47/16/70/955471670.db2.gz QDJBBMNGCHJOFS-VIFPVBQESA-N -1 0 315.351 -0.461 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@]12CCOC2=O)C(=O)[O-] ZINC001589021233 955471886 /nfs/dbraw/zinc/47/18/86/955471886.db2.gz YYCXLJMORUEJIA-YMTOWFKASA-N -1 0 312.322 -0.526 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC001589021331 955473207 /nfs/dbraw/zinc/47/32/07/955473207.db2.gz ZUGHWWHCEVXWBJ-MRVPVSSYSA-N -1 0 322.383 -0.895 20 0 DBADRM COC(=O)Cc1csc(N(C)C(=O)COCC(=O)[O-])n1 ZINC001593853068 955475019 /nfs/dbraw/zinc/47/50/19/955475019.db2.gz CPXMJCQEUOYFIW-UHFFFAOYSA-N -1 0 302.308 -0.077 20 0 DBADRM COC(=O)Cc1cccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)n1 ZINC001593854181 955482386 /nfs/dbraw/zinc/48/23/86/955482386.db2.gz SYXCABOXROWCQJ-VIFPVBQESA-N -1 0 307.262 -0.035 20 0 DBADRM Cn1cc(C(=O)C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cn1 ZINC001594525548 955498560 /nfs/dbraw/zinc/49/85/60/955498560.db2.gz HUUYKOREVNBVCQ-SNVBAGLBSA-N -1 0 322.321 -0.815 20 0 DBADRM Cn1cc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c(C(F)F)n1 ZINC001594527033 955508300 /nfs/dbraw/zinc/50/83/00/955508300.db2.gz RRWLIVLPNWJUHM-UHFFFAOYSA-N -1 0 316.264 -0.273 20 0 DBADRM Cn1cc(C(=O)NC[C@](C)(O)C(=O)[O-])c(Br)n1 ZINC001594526885 955509063 /nfs/dbraw/zinc/50/90/63/955509063.db2.gz OOLIRKNIPFWLTE-VIFPVBQESA-N -1 0 306.116 -0.252 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)C2(CC(=O)[O-])CCOCC2)cn1 ZINC001594529834 955515766 /nfs/dbraw/zinc/51/57/66/955515766.db2.gz NBQAFGRDYICTAL-NSHDSACASA-N -1 0 311.338 -0.159 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)Nc2ccn(CC(=O)[O-])n2)cn1 ZINC001594529917 955515775 /nfs/dbraw/zinc/51/57/75/955515775.db2.gz ORVUXMBAILSEPZ-VIFPVBQESA-N -1 0 308.298 -0.444 20 0 DBADRM Cn1cc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)c(Cl)n1 ZINC001594529940 955517645 /nfs/dbraw/zinc/51/76/45/955517645.db2.gz PPAOKIDGASQUPB-ZETCQYMHSA-N -1 0 301.686 -0.084 20 0 DBADRM COC(=O)[C@@H](CNC(=O)COCC(=O)[O-])Oc1ccccc1 ZINC001593860086 955526964 /nfs/dbraw/zinc/52/69/64/955526964.db2.gz CCGHHBSPBGCNIL-LLVKDONJSA-N -1 0 311.290 -0.176 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnc(C(=O)[O-])cn2)C[C@@H](C)O1 ZINC001593860532 955533502 /nfs/dbraw/zinc/53/35/02/955533502.db2.gz BVNPAANOTXDOBK-XCBNKYQSSA-N -1 0 309.278 -0.423 20 0 DBADRM COC(=O)[C@@H](O)CCNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001593860898 955540987 /nfs/dbraw/zinc/54/09/87/955540987.db2.gz GZXCTMAWLSMIHA-NSHDSACASA-N -1 0 311.290 -0.196 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cn1 ZINC001594532420 955545091 /nfs/dbraw/zinc/54/50/91/955545091.db2.gz RYXPYPHJEICULX-CMPLNLGQSA-N -1 0 324.337 -0.965 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)Nc3c[nH]nc3C(=O)[O-])C2)cn1 ZINC001594532651 955545485 /nfs/dbraw/zinc/54/54/85/955545485.db2.gz SYIMJAUMTPIHQO-SECBINFHSA-N -1 0 304.266 -0.027 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001593862360 955552406 /nfs/dbraw/zinc/55/24/06/955552406.db2.gz APQISQDZEHHNJU-KKFJDGPESA-N -1 0 301.295 -0.686 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@@]2(CCO[C@H]2C)C1)C(=O)[O-] ZINC001589036672 955554067 /nfs/dbraw/zinc/55/40/67/955554067.db2.gz HWPAFRWSAVPBMY-BFVZDQMLSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[S@@](=O)[C@@H](C)[C@H]1C)C(=O)[O-] ZINC001589036796 955554124 /nfs/dbraw/zinc/55/41/24/955554124.db2.gz MNKGPIZYYNRNRB-GNYUHXDFSA-N -1 0 304.368 -0.809 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCO[C@]2(CCSC2)C1)C(=O)[O-] ZINC001589037140 955558607 /nfs/dbraw/zinc/55/86/07/955558607.db2.gz WUYYJSVVAPZDNN-TVQRCGJNSA-N -1 0 316.379 -0.442 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)nnn2C)C(=O)[O-] ZINC001589037099 955558712 /nfs/dbraw/zinc/55/87/12/955558712.db2.gz VNCSRDVVWGQQAK-ZETCQYMHSA-N -1 0 305.294 -0.256 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(C(=O)[O-])nn1C ZINC001593862749 955558895 /nfs/dbraw/zinc/55/88/95/955558895.db2.gz RKRDUQDMKXNZIF-GMSGAONNSA-N -1 0 311.294 -0.574 20 0 DBADRM COC(=O)[C@H]1CC(F)(F)CN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001593864180 955570132 /nfs/dbraw/zinc/57/01/32/955570132.db2.gz ZPVZYNJVXIKFML-HTQZYQBOSA-N -1 0 306.265 -0.446 20 0 DBADRM COC(=O)[C@@]1(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)C[C@H](O)C1 ZINC001593865263 955572292 /nfs/dbraw/zinc/57/22/92/955572292.db2.gz IZVQWLAPAXCWFK-ZSJJWGNYSA-N -1 0 315.322 -0.561 20 0 DBADRM C[C@H](CN(C)c1nnnn1CCCN1CCCC1=O)C(=O)[O-] ZINC001589039165 955576163 /nfs/dbraw/zinc/57/61/63/955576163.db2.gz XVUHSJMGCKZUFR-SNVBAGLBSA-N -1 0 310.358 -0.158 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N(C)CCC(=O)[O-])CN1CCOCC1 ZINC001589039297 955579212 /nfs/dbraw/zinc/57/92/12/955579212.db2.gz MIZYVOJUXCVRCU-NSHDSACASA-N -1 0 315.370 -0.996 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@H](C2OCCO2)C1)C(=O)[O-] ZINC001589039675 955582819 /nfs/dbraw/zinc/58/28/19/955582819.db2.gz QUTHGHBZHPGJRT-BDAKNGLRSA-N -1 0 300.311 -0.955 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC(C(=O)[O-])CC1)Cn1cccn1 ZINC001589039553 955583169 /nfs/dbraw/zinc/58/31/69/955583169.db2.gz OIDPJHURIXRLGP-LLVKDONJSA-N -1 0 322.365 -0.041 20 0 DBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)c3ncn(C)n3)C2)cn1 ZINC001594538632 955605801 /nfs/dbraw/zinc/60/58/01/955605801.db2.gz MNIPOSNCCAYEEB-UWVGGRQHSA-N -1 0 318.337 -0.121 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])s2)CC(=O)N1 ZINC000387229264 972111770 /nfs/dbraw/zinc/11/17/70/972111770.db2.gz IDIDCGJNHWSLBS-ZCFIWIBFSA-N -1 0 304.349 -0.045 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)S(C)(=O)=O ZINC001589044966 955619474 /nfs/dbraw/zinc/61/94/74/955619474.db2.gz PRICJOOQTVYGMD-OPRDCNLKSA-N -1 0 307.368 -0.194 20 0 DBADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)[C@@H]3COC(=O)N3)C2)cn1 ZINC001594540089 955628830 /nfs/dbraw/zinc/62/88/30/955628830.db2.gz POYQFXXICAGWMA-NGZCFLSTSA-N -1 0 322.321 -0.455 20 0 DBADRM C[C@H](CNC(=O)N1CCN(CC(=O)N(C)C)CC1)C(=O)[O-] ZINC001589049509 955645439 /nfs/dbraw/zinc/64/54/39/955645439.db2.gz CUIXVLVGTNMKSX-SNVBAGLBSA-N -1 0 300.359 -0.878 20 0 DBADRM C[C@H](CNC(=O)N1CCN(Cc2cnn(C)c2)CC1)C(=O)[O-] ZINC001589050094 955651404 /nfs/dbraw/zinc/65/14/04/955651404.db2.gz RXZUMJVDOITIMJ-LLVKDONJSA-N -1 0 309.370 -0.032 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)CCNC(N)=O)C2)cn1 ZINC001594541436 955653462 /nfs/dbraw/zinc/65/34/62/955653462.db2.gz XTSQNBAETTYSBO-ZJUUUORDSA-N -1 0 323.353 -0.505 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCCC(=O)[O-])n(C)c1 ZINC001593874774 955654010 /nfs/dbraw/zinc/65/40/10/955654010.db2.gz KIBUDGPEMMSEFF-UHFFFAOYSA-N -1 0 304.324 -0.045 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)cn1 ZINC001594541580 955657065 /nfs/dbraw/zinc/65/70/65/955657065.db2.gz CUKQJKCPNJWFCH-UHFFFAOYSA-N -1 0 322.365 -0.162 20 0 DBADRM Cn1cc(C[C@@H](CO)CNC(=O)c2cnc(C(=O)[O-])cn2)cn1 ZINC001594541638 955657927 /nfs/dbraw/zinc/65/79/27/955657927.db2.gz GMMHKTSFUPVGGR-SNVBAGLBSA-N -1 0 319.321 -0.511 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)CC(=O)[O-])cnc1C ZINC001593875223 955658597 /nfs/dbraw/zinc/65/85/97/955658597.db2.gz BOVZXXNBONQMOO-UHFFFAOYSA-N -1 0 302.308 -0.118 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])C(C)C)on1 ZINC001593875273 955659929 /nfs/dbraw/zinc/65/99/29/955659929.db2.gz FEEAWTUCKYNNDS-UHFFFAOYSA-N -1 0 306.296 -0.055 20 0 DBADRM C[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1)C(=O)[O-] ZINC001589050741 955660896 /nfs/dbraw/zinc/66/08/96/955660896.db2.gz NOPZGUUACPNOED-HOTUBEGUSA-N -1 0 304.368 -0.217 20 0 DBADRM Cn1cc(CCCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC001594541855 955661185 /nfs/dbraw/zinc/66/11/85/955661185.db2.gz SPZCODFCRVFVPY-NSHDSACASA-N -1 0 308.338 -0.598 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])CC2CC2)n[nH]1 ZINC001593875494 955664156 /nfs/dbraw/zinc/66/41/56/955664156.db2.gz WQPOSAKICCGBNI-UHFFFAOYSA-N -1 0 317.323 -0.318 20 0 DBADRM COC(=O)c1ccc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)o1 ZINC001593876430 955674561 /nfs/dbraw/zinc/67/45/61/955674561.db2.gz GFZLAMWVFFAKAC-SSDOTTSWSA-N -1 0 311.246 -0.092 20 0 DBADRM C[C@@H](CNC(=O)NCC1(OCCO)CCOCC1)C(=O)[O-] ZINC001589053587 955678844 /nfs/dbraw/zinc/67/88/44/955678844.db2.gz GYFMODGXQLCFEW-JTQLQIEISA-N -1 0 304.343 -0.436 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2=O)cn1 ZINC001594546485 955687190 /nfs/dbraw/zinc/68/71/90/955687190.db2.gz RNBAIERUPGDSDC-OPRDCNLKSA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1cc(I)c(CNC(=O)C(=O)[O-])n1 ZINC001594546600 955688252 /nfs/dbraw/zinc/68/82/52/955688252.db2.gz VUUSLQUKTFQEEM-UHFFFAOYSA-N -1 0 309.063 -0.275 20 0 DBADRM C[C@@H](CNC(=O)NCCOCC(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC001589055173 955690264 /nfs/dbraw/zinc/69/02/64/955690264.db2.gz WMYKVQJTZGXYHU-SDDRHHMPSA-N -1 0 317.386 -0.116 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)ccc1=O ZINC001594547925 955691575 /nfs/dbraw/zinc/69/15/75/955691575.db2.gz DHRKEXYZRNJNRV-LLVKDONJSA-N -1 0 321.333 -0.059 20 0 DBADRM Cn1ccc(CCC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001594550053 955718688 /nfs/dbraw/zinc/71/86/88/955718688.db2.gz ZHSBLHCELPDYTG-LBPRGKRZSA-N -1 0 322.365 -0.065 20 0 DBADRM Cn1ccc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)cc1=O ZINC001594550627 955723481 /nfs/dbraw/zinc/72/34/81/955723481.db2.gz OVWNSRYISPSRQL-JTQLQIEISA-N -1 0 307.306 -0.353 20 0 DBADRM Cn1ccn2c(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)nnc2c1=O ZINC001594551682 955733862 /nfs/dbraw/zinc/73/38/62/955733862.db2.gz RKPKUOLJDQQXRN-OCAPTIKFSA-N -1 0 320.309 -0.910 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001594556495 955766575 /nfs/dbraw/zinc/76/65/75/955766575.db2.gz JVVXZXKYCULFTN-SNVBAGLBSA-N -1 0 307.310 -0.702 20 0 DBADRM Cn1cnc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cc1=O ZINC001594556517 955766625 /nfs/dbraw/zinc/76/66/25/955766625.db2.gz KUEXVLKGNFEKHN-NSHDSACASA-N -1 0 302.290 -0.399 20 0 DBADRM Cn1cnc(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1 ZINC001594556741 955770515 /nfs/dbraw/zinc/77/05/15/955770515.db2.gz YXRIYVKASZXFIH-JTQLQIEISA-N -1 0 320.349 -0.042 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC001594557829 955781287 /nfs/dbraw/zinc/78/12/87/955781287.db2.gz MACNTFUPKLEDHL-SNVBAGLBSA-N -1 0 308.338 -0.250 20 0 DBADRM Cn1cnc(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)n1 ZINC001594558031 955783473 /nfs/dbraw/zinc/78/34/73/955783473.db2.gz SWHWEQDBNBHKTC-UHFFFAOYSA-N -1 0 302.312 -0.967 20 0 DBADRM Cn1cnc(NC(=O)C(=O)N[C@H](C(=O)[O-])c2ccccc2)n1 ZINC001594558110 955784268 /nfs/dbraw/zinc/78/42/68/955784268.db2.gz XIHCDXZDTXLSNY-VIFPVBQESA-N -1 0 303.278 -0.304 20 0 DBADRM Cn1cnc(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1=O ZINC001594558117 955785122 /nfs/dbraw/zinc/78/51/22/955785122.db2.gz XUJOHFVSJVBXCF-SDBXPKJASA-N -1 0 308.294 -0.655 20 0 DBADRM C[C@](CO)(NCCS(=O)(=O)CC(=O)[O-])c1cccc(O)c1 ZINC001589073590 955794465 /nfs/dbraw/zinc/79/44/65/955794465.db2.gz QCIAERMONZTDEQ-CYBMUJFWSA-N -1 0 317.363 -0.311 20 0 DBADRM COC(=O)c1n[nH]c2c1CN(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)CC2 ZINC001593894875 955818236 /nfs/dbraw/zinc/81/82/36/955818236.db2.gz JHPZJAIRWBBURZ-VIFPVBQESA-N -1 0 322.277 -0.690 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001589076536 955820816 /nfs/dbraw/zinc/82/08/16/955820816.db2.gz SCQGEWSISSETAQ-VIFPVBQESA-N -1 0 307.368 -0.193 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001594564469 955825582 /nfs/dbraw/zinc/82/55/82/955825582.db2.gz SZUNVZVLNBMZKO-SFYZADRCSA-N -1 0 308.294 -0.311 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589077032 955829774 /nfs/dbraw/zinc/82/97/74/955829774.db2.gz OGCZNTOJAMLAPA-FFVOIRBGSA-N -1 0 300.336 -0.570 20 0 DBADRM Cn1nnc2c1CC[C@H](NC(=O)c1cc(C(=O)[O-])nn1C)C2 ZINC001594564741 955831038 /nfs/dbraw/zinc/83/10/38/955831038.db2.gz CTBFCAMSGGLMDC-ZETCQYMHSA-N -1 0 304.310 -0.466 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@H](CO)[C@H](O)c1cccnc1 ZINC001594564862 955831515 /nfs/dbraw/zinc/83/15/15/955831515.db2.gz INPSHZJYAMIJJY-ZYHUDNBSSA-N -1 0 320.305 -0.662 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@H]1CCCS1(=O)=O ZINC001594565922 955846830 /nfs/dbraw/zinc/84/68/30/955846830.db2.gz UUMILMRVQISCIS-SSDOTTSWSA-N -1 0 301.324 -0.575 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N(C)Cc1ccccc1S(N)(=O)=O ZINC001593900609 955864532 /nfs/dbraw/zinc/86/45/32/955864532.db2.gz JTBOZQVVXAUDIL-JTQLQIEISA-N -1 0 316.335 -0.608 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001593901865 955876527 /nfs/dbraw/zinc/87/65/27/955876527.db2.gz GUGZHGAAVKSEOL-RQJHMYQMSA-N -1 0 312.244 -0.387 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001589083771 955883846 /nfs/dbraw/zinc/88/38/46/955883846.db2.gz ROPBVLWTMUWXFH-GXSJLCMTSA-N -1 0 309.322 -0.173 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)c1cnn(C)c1 ZINC001589086159 955901618 /nfs/dbraw/zinc/90/16/18/955901618.db2.gz GGEPZVUUROIUJN-ZJUUUORDSA-N -1 0 308.338 -0.080 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)N(C)C)CC1(C)C ZINC001593905129 955902763 /nfs/dbraw/zinc/90/27/63/955902763.db2.gz DOOGUBNOIBMBIZ-SECBINFHSA-N -1 0 301.343 -0.310 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccnn1C ZINC001589086459 955903770 /nfs/dbraw/zinc/90/37/70/955903770.db2.gz NEFUAOWTXXQKBK-VHSXEESVSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C(F)(F)F ZINC001589086485 955905498 /nfs/dbraw/zinc/90/54/98/955905498.db2.gz NMTRUFZGVHEIIM-YFKPBYRVSA-N -1 0 308.216 -0.027 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1 ZINC001593905878 955912048 /nfs/dbraw/zinc/91/20/48/955912048.db2.gz VAOZGTUELPAEPL-GHMZBOCLSA-N -1 0 310.306 -0.014 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001593905949 955912568 /nfs/dbraw/zinc/91/25/68/955912568.db2.gz NCPLYACUKPRLSB-GFCCVEGCSA-N -1 0 322.317 -0.224 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC001593906018 955914410 /nfs/dbraw/zinc/91/44/10/955914410.db2.gz WSCQMUOBXMROHG-WDEREUQCSA-N -1 0 324.337 -0.760 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC001593906015 955914468 /nfs/dbraw/zinc/91/44/68/955914468.db2.gz WSCQMUOBXMROHG-GHMZBOCLSA-N -1 0 324.337 -0.760 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 ZINC001593906099 955915881 /nfs/dbraw/zinc/91/58/81/955915881.db2.gz PFIJMHYOSJHWKJ-NXEZZACHSA-N -1 0 305.352 -0.488 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001593906436 955921841 /nfs/dbraw/zinc/92/18/41/955921841.db2.gz XDQWIYVBQXXLFY-QJPTWQEYSA-N -1 0 306.318 -0.187 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(C2=NC[C@@H](C)S2)CC1 ZINC001593906507 955923139 /nfs/dbraw/zinc/92/31/39/955923139.db2.gz ZJEWUBHLVZEHQW-BDAKNGLRSA-N -1 0 301.368 -0.279 20 0 DBADRM Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)NCC(=O)[O-] ZINC001594577277 955928448 /nfs/dbraw/zinc/92/84/48/955928448.db2.gz RVOCYDQQOPZXJT-QMMMGPOBSA-N -1 0 310.310 -0.547 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC1CCN(C(=O)c2ccncc2)CC1 ZINC001593906996 955931627 /nfs/dbraw/zinc/93/16/27/955931627.db2.gz NSMWTXWZXNVMSQ-LBPRGKRZSA-N -1 0 321.333 -0.098 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC1CCN(C(=O)c2ccncc2)CC1 ZINC001593906995 955931654 /nfs/dbraw/zinc/93/16/54/955931654.db2.gz NSMWTXWZXNVMSQ-GFCCVEGCSA-N -1 0 321.333 -0.098 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@H]1CCCN(c2nc(C)cc(=O)[nH]2)C1 ZINC001593907343 955938930 /nfs/dbraw/zinc/93/89/30/955938930.db2.gz WBAUUUGBOXDWDQ-GXSJLCMTSA-N -1 0 324.337 -0.325 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001593907644 955942963 /nfs/dbraw/zinc/94/29/63/955942963.db2.gz KHKHMVWHMDGUCW-UPBARMNASA-N -1 0 305.352 -0.442 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC001593907956 955946685 /nfs/dbraw/zinc/94/66/85/955946685.db2.gz CJBXYLZSFYUZMB-SNVBAGLBSA-N -1 0 316.335 -0.226 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001593908077 955948067 /nfs/dbraw/zinc/94/80/67/955948067.db2.gz RJPUVWPFRUIWTK-LDYMZIIASA-N -1 0 313.331 -0.227 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCCC1N=NC(=S)N1C1CC1 ZINC001593908211 955949526 /nfs/dbraw/zinc/94/95/26/955949526.db2.gz FMGXLKIVGSLZQW-MRVPVSSYSA-N -1 0 300.340 -0.340 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ncnn1C ZINC001589092229 955954383 /nfs/dbraw/zinc/95/43/83/955954383.db2.gz LGPQYXJFJMKIPZ-RKDXNWHRSA-N -1 0 309.326 -0.685 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC001593908916 955956360 /nfs/dbraw/zinc/95/63/60/955956360.db2.gz OMFZUILNKURTSX-NSHDSACASA-N -1 0 313.331 -0.268 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC001593909290 955959424 /nfs/dbraw/zinc/95/94/24/955959424.db2.gz VKPMFKPDYODYST-YMTOWFKASA-N -1 0 321.289 -0.416 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC001593909289 955959929 /nfs/dbraw/zinc/95/99/29/955959929.db2.gz VKPMFKPDYODYST-XPTSAGLGSA-N -1 0 321.289 -0.416 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN1CCN([S@@](C)(=N)=O)CC1 ZINC001594580673 955964014 /nfs/dbraw/zinc/96/40/14/955964014.db2.gz BFEDSWDQWJTSGS-HXUWFJFHSA-N -1 0 301.372 -0.173 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)C1(S(C)(=O)=O)CC1 ZINC001589101331 955997299 /nfs/dbraw/zinc/99/72/99/955997299.db2.gz FBGCLIOTNAVCFI-DTWKUNHWSA-N -1 0 320.367 -0.553 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1cccc(NS(N)(=O)=O)c1 ZINC001593913728 956000179 /nfs/dbraw/zinc/00/01/79/956000179.db2.gz WJZUJTBXKKMFLI-QMMMGPOBSA-N -1 0 303.296 -0.660 20 0 DBADRM Cn1ncc(NC(=O)NCC2(C(=O)[O-])CCOCC2)cc1=O ZINC001594587153 956011030 /nfs/dbraw/zinc/01/10/30/956011030.db2.gz XBIUVLJZBXIKPT-UHFFFAOYSA-N -1 0 310.310 -0.217 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H](CO)c1nc(-c2ccccc2)no1 ZINC001593915028 956012278 /nfs/dbraw/zinc/01/22/78/956012278.db2.gz BYSAJHHEHQLYDA-UWVGGRQHSA-N -1 0 321.289 -0.014 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001594587749 956014287 /nfs/dbraw/zinc/01/42/87/956014287.db2.gz LTLYQUNXPGFKAC-SNVBAGLBSA-N -1 0 315.351 -0.513 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)C(=O)[O-] ZINC001594587885 956015748 /nfs/dbraw/zinc/01/57/48/956015748.db2.gz OLPIBTZEFFRICZ-KKZNHRDASA-N -1 0 308.338 -0.046 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1)C(=O)[O-] ZINC001594587887 956015881 /nfs/dbraw/zinc/01/58/81/956015881.db2.gz OLPIBTZEFFRICZ-NGZCFLSTSA-N -1 0 308.338 -0.046 20 0 DBADRM Cn1nccc1[C@H](NC(=O)C(=O)Nc1cncnc1)C(=O)[O-] ZINC001594587995 956017387 /nfs/dbraw/zinc/01/73/87/956017387.db2.gz PRNGTCZMSDUGOS-VIFPVBQESA-N -1 0 304.266 -0.909 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CNC(=O)N1CCCC1)C(=O)[O-] ZINC001594588492 956022737 /nfs/dbraw/zinc/02/27/37/956022737.db2.gz HQMOMSMDCFMNFB-LLVKDONJSA-N -1 0 309.326 -0.533 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000387989346 972151649 /nfs/dbraw/zinc/15/16/49/972151649.db2.gz UJHJWQOFSIXJKS-UHFFFAOYSA-N -1 0 311.342 -0.355 20 0 DBADRM Cn1nccc1[C@H](NC(=O)Cn1nnc2c1CCCC2)C(=O)[O-] ZINC001594589070 956030206 /nfs/dbraw/zinc/03/02/06/956030206.db2.gz OSRQJEOGQKOXGL-ZDUSSCGKSA-N -1 0 318.337 -0.168 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2 ZINC001593917225 956034375 /nfs/dbraw/zinc/03/43/75/956034375.db2.gz JRDACAJQELPFPW-NPZRNVLXSA-N -1 0 323.349 -0.139 20 0 DBADRM Cn1nccc1[C@H](NC(=O)Cc1nc2ncccn2n1)C(=O)[O-] ZINC001594589484 956038268 /nfs/dbraw/zinc/03/82/68/956038268.db2.gz WTXSUYLZRIRTGG-NSHDSACASA-N -1 0 315.293 -0.658 20 0 DBADRM Cn1nccc1[C@@H](NCC(=O)N1CCOC[C@@H]1C1CC1)C(=O)[O-] ZINC001594590103 956047982 /nfs/dbraw/zinc/04/79/82/956047982.db2.gz CONVBHQVPVSGCF-TZMCWYRMSA-N -1 0 322.365 -0.227 20 0 DBADRM Cn1nccc1[C@@H](O)CNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001594592031 956058710 /nfs/dbraw/zinc/05/87/10/956058710.db2.gz ASWHIRQQHNLLNI-NSHDSACASA-N -1 0 311.338 -0.159 20 0 DBADRM Cn1nccc1[C@@H](O)C1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC001594592121 956060905 /nfs/dbraw/zinc/06/09/05/956060905.db2.gz CVBIACMTQNECBZ-AWEZNQCLSA-N -1 0 310.354 -0.634 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC(O)(c2nccn2C)CC1 ZINC001593919964 956065821 /nfs/dbraw/zinc/06/58/21/956065821.db2.gz WQSFRAUANCYZCS-CYBMUJFWSA-N -1 0 311.338 -0.280 20 0 DBADRM CO[C@H](C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O)[C@H]1CCOC1 ZINC001593920349 956070012 /nfs/dbraw/zinc/07/00/12/956070012.db2.gz PRXZDHRCLQRAFS-QXEWZRGKSA-N -1 0 301.295 -0.733 20 0 DBADRM CO[C@H](C(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001593921100 956076737 /nfs/dbraw/zinc/07/67/37/956076737.db2.gz STKQXODIGULJNT-IUCAKERBSA-N -1 0 303.311 -0.345 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)OCC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001593921265 956079419 /nfs/dbraw/zinc/07/94/19/956079419.db2.gz XISMAIMWLRIWMU-FWKUWYBHSA-N -1 0 306.336 -0.015 20 0 DBADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)C1(S(C)(=O)=O)CC1 ZINC001589114853 956087294 /nfs/dbraw/zinc/08/72/94/956087294.db2.gz IVSCPJJXYKOVNB-ZCFIWIBFSA-N -1 0 301.324 -0.197 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCCN(CC(=O)N(C)C)CC1 ZINC001593921963 956087636 /nfs/dbraw/zinc/08/76/36/956087636.db2.gz DSEFRGZJUHATBN-CQSZACIVSA-N -1 0 315.370 -0.901 20 0 DBADRM Cn1nccc1[C@H]1COCCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001594596341 956094418 /nfs/dbraw/zinc/09/44/18/956094418.db2.gz FZOYPUIFIBYTNU-MNOVXSKESA-N -1 0 308.294 -0.451 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC001593922409 956095110 /nfs/dbraw/zinc/09/51/10/956095110.db2.gz NTAACAVAJJLOQC-GYSYKLTISA-N -1 0 300.355 -0.466 20 0 DBADRM Cn1nccc1CN1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001594596954 956101292 /nfs/dbraw/zinc/10/12/92/956101292.db2.gz NQIGCQXAIITGDO-UHFFFAOYSA-N -1 0 318.337 -0.201 20 0 DBADRM Cn1nccc1CNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001594597270 956104565 /nfs/dbraw/zinc/10/45/65/956104565.db2.gz SNMOQYWBRRRGCE-UHFFFAOYSA-N -1 0 308.338 -0.204 20 0 DBADRM C[C@H]([C@H](C)NC(=O)c1cn(CC(=O)[O-])nn1)N1CCOCC1 ZINC001589119814 956109008 /nfs/dbraw/zinc/10/90/08/956109008.db2.gz BCZLCYFQNSOYTI-VHSXEESVSA-N -1 0 311.342 -0.798 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC001593925220 956113428 /nfs/dbraw/zinc/11/34/28/956113428.db2.gz NAJCVFXXMYMTFN-HNXYLICVSA-N -1 0 324.337 -0.480 20 0 DBADRM C[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)C1(S(C)(=O)=O)CC1 ZINC001589120360 956113745 /nfs/dbraw/zinc/11/37/45/956113745.db2.gz KHLUQLWBQJHELP-ZETCQYMHSA-N -1 0 313.335 -0.130 20 0 DBADRM Cn1nncc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001594598582 956114948 /nfs/dbraw/zinc/11/49/48/956114948.db2.gz WQJZYADLDAJVTP-JTQLQIEISA-N -1 0 317.305 -0.434 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)C1 ZINC001594599351 956119705 /nfs/dbraw/zinc/11/97/05/956119705.db2.gz PDCUHMXDRVNHEY-JTQLQIEISA-N -1 0 308.338 -0.264 20 0 DBADRM Cn1nnnc1CCCNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594601033 956130584 /nfs/dbraw/zinc/13/05/84/956130584.db2.gz IYIHWJKEQPKKTD-ZJUUUORDSA-N -1 0 311.342 -0.471 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N2CCSC[C@H]2CO)c1 ZINC000388143811 972156745 /nfs/dbraw/zinc/15/67/45/972156745.db2.gz GPTMRCAMKOAEAN-SECBINFHSA-N -1 0 318.376 -0.122 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1cccc(NC(=O)C(N)=O)c1 ZINC001593930743 956175862 /nfs/dbraw/zinc/17/58/62/956175862.db2.gz FCAJFHLIQNNVOM-ZDUSSCGKSA-N -1 0 309.278 -0.461 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000388254185 972162748 /nfs/dbraw/zinc/16/27/48/972162748.db2.gz IZWJONNTDODNEB-ZCFIWIBFSA-N -1 0 310.353 -0.795 20 0 DBADRM CO[C@@](C)(CO)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001593937273 956229135 /nfs/dbraw/zinc/22/91/35/956229135.db2.gz NTGGMQRHMXVMCI-CQSZACIVSA-N -1 0 310.306 -0.163 20 0 DBADRM CO[C@H](C)CN(C)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593937711 956235263 /nfs/dbraw/zinc/23/52/63/956235263.db2.gz FADLIVBURKPPGJ-SECBINFHSA-N -1 0 307.368 -0.241 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001593938013 956240881 /nfs/dbraw/zinc/24/08/81/956240881.db2.gz AOJMULKDXWZUOM-GARJFASQSA-N -1 0 314.338 -0.913 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1nc(C2CC2)cs1)C(=O)[O-] ZINC001589138260 956244982 /nfs/dbraw/zinc/24/49/82/956244982.db2.gz LTVFSDBXYILLGE-GFCCVEGCSA-N -1 0 313.335 -0.089 20 0 DBADRM C[C@](O)(CNC(=O)CNC(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC001589138520 956249075 /nfs/dbraw/zinc/24/90/75/956249075.db2.gz FPLKKOJSMSGNOS-ZDUSSCGKSA-N -1 0 316.260 -0.354 20 0 DBADRM C[C@@](O)(CNC(=O)CNC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC001589138866 956253530 /nfs/dbraw/zinc/25/35/30/956253530.db2.gz JVLYRJCMDMGFBU-OAHLLOKOSA-N -1 0 319.317 -0.151 20 0 DBADRM C[C@@](O)(CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-] ZINC001589138874 956253553 /nfs/dbraw/zinc/25/35/53/956253553.db2.gz JWAGHIOLCDVAJC-YMTOWFKASA-N -1 0 310.306 -0.420 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1cccc(C2CC2)n1)C(=O)[O-] ZINC001589139161 956257693 /nfs/dbraw/zinc/25/76/93/956257693.db2.gz YWPXCNKCBFLEJC-CQSZACIVSA-N -1 0 307.306 -0.151 20 0 DBADRM C[C@](O)(CNC(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1)C(=O)[O-] ZINC001589139498 956260251 /nfs/dbraw/zinc/26/02/51/956260251.db2.gz WSPGPUNWJBADFC-RBZYPMLTSA-N -1 0 317.338 -0.361 20 0 DBADRM C[C@](O)(CNC(=O)c1ccc(Cn2ccnn2)cc1)C(=O)[O-] ZINC001589144522 956277811 /nfs/dbraw/zinc/27/78/11/956277811.db2.gz NTCUFJHXWWSHAW-AWEZNQCLSA-N -1 0 304.306 -0.108 20 0 DBADRM COC1(C)CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC001593941882 956283538 /nfs/dbraw/zinc/28/35/38/956283538.db2.gz LANTUIDVHQXFLI-SNVBAGLBSA-N -1 0 314.338 -0.674 20 0 DBADRM CCCNC(=O)[C@H](C)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000388362037 972167456 /nfs/dbraw/zinc/16/74/56/972167456.db2.gz LWPFXAVOPJEOEM-QMMMGPOBSA-N -1 0 312.330 -0.810 20 0 DBADRM C[C@](O)(CNC(=O)c1cc(S(C)(=O)=O)cs1)C(=O)[O-] ZINC001589144897 956285102 /nfs/dbraw/zinc/28/51/02/956285102.db2.gz YNASFVLRVSZGGM-JTQLQIEISA-N -1 0 307.349 -0.283 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CCOC1 ZINC001593943231 956297145 /nfs/dbraw/zinc/29/71/45/956297145.db2.gz AYCRGBDZINNEFV-TVQRCGJNSA-N -1 0 302.327 -0.913 20 0 DBADRM CO[C@@]1(C(=O)N2CCC[C@H](CC(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001593943359 956298019 /nfs/dbraw/zinc/29/80/19/956298019.db2.gz JSUJCJYNUMIZEI-MFKMUULPSA-N -1 0 319.379 -0.097 20 0 DBADRM CO[C@]1(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001593943367 956299376 /nfs/dbraw/zinc/29/93/76/956299376.db2.gz KBQJHGCXMCHVNL-VDDIYKPWSA-N -1 0 305.352 -0.440 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCN(C3CC3)CC2)nn1 ZINC000388394363 972169112 /nfs/dbraw/zinc/16/91/12/972169112.db2.gz STRWTDZMJMJTCC-UHFFFAOYSA-N -1 0 308.342 -0.534 20 0 DBADRM CO[C@@]1(C(=O)N2CCC(C(=O)[O-])CC2)CCS(=O)(=O)C1 ZINC001593943773 956305122 /nfs/dbraw/zinc/30/51/22/956305122.db2.gz RRTMRCCVLJXIAT-LBPRGKRZSA-N -1 0 305.352 -0.487 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC001589147340 956307321 /nfs/dbraw/zinc/30/73/21/956307321.db2.gz QYTDUKFZOFTFMK-SECBINFHSA-N -1 0 307.306 -0.555 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001589147431 956308161 /nfs/dbraw/zinc/30/81/61/956308161.db2.gz SKVOUKAUOHYKCD-CYBMUJFWSA-N -1 0 306.278 -0.341 20 0 DBADRM COC1([C@@H](C)NC(=O)C(=O)NCCCC(=O)[O-])CCOCC1 ZINC001593944161 956310166 /nfs/dbraw/zinc/31/01/66/956310166.db2.gz ZAJPRBFVOZVFAU-SNVBAGLBSA-N -1 0 316.354 -0.332 20 0 DBADRM CO[C@@]1(CNC(=O)[C@]2(C(=O)[O-])C[C@H]2C)CCS(=O)(=O)C1 ZINC001593945700 956326118 /nfs/dbraw/zinc/32/61/18/956326118.db2.gz GEMCXBSDKYJRSJ-FXAINCCUSA-N -1 0 305.352 -0.583 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N(C[C@H](C)O)C1CC1)C(=O)[O-] ZINC001589151971 956328371 /nfs/dbraw/zinc/32/83/71/956328371.db2.gz GCNOYXNBHGDJEZ-ONGXEEELSA-N -1 0 300.355 -0.169 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCO1 ZINC001589152727 956341382 /nfs/dbraw/zinc/34/13/82/956341382.db2.gz KSTRXWPJSLKULE-WDEREUQCSA-N -1 0 316.354 -0.341 20 0 DBADRM C[C@@H](O)CC(C)(C)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001589152820 956342532 /nfs/dbraw/zinc/34/25/32/956342532.db2.gz MCLMKSLCTIJYJY-ZJUUUORDSA-N -1 0 300.355 -0.167 20 0 DBADRM COC1(OC)CCOC[C@@H]1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001593948035 956347275 /nfs/dbraw/zinc/34/72/75/956347275.db2.gz PXZMLGGVIMVAFV-JTQLQIEISA-N -1 0 311.294 -0.317 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CCO1 ZINC001589153352 956347641 /nfs/dbraw/zinc/34/76/41/956347641.db2.gz QVBHRCHUSSDXSN-CABZTGNLSA-N -1 0 322.317 -0.069 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CCO1 ZINC001589153334 956347939 /nfs/dbraw/zinc/34/79/39/956347939.db2.gz PMTDABQPHBZAAW-SKDRFNHKSA-N -1 0 322.317 -0.069 20 0 DBADRM CO[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)[C@@H](C)C1 ZINC001593948869 956356146 /nfs/dbraw/zinc/35/61/46/956356146.db2.gz AGNMQONMYRWJQX-UWVGGRQHSA-N -1 0 324.337 -0.068 20 0 DBADRM C[C@@H](O)c1ncc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)s1 ZINC001589154774 956368231 /nfs/dbraw/zinc/36/82/31/956368231.db2.gz ZWAGRZBADZMAEG-SSDOTTSWSA-N -1 0 313.335 -0.435 20 0 DBADRM NC(=O)[C@@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1ccc(F)cc1 ZINC001594636053 956372778 /nfs/dbraw/zinc/37/27/78/956372778.db2.gz AQOQFLCBARHILI-UWVGGRQHSA-N -1 0 309.253 -0.302 20 0 DBADRM CO[C@H]1COCC[C@H]1CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593950573 956377138 /nfs/dbraw/zinc/37/71/38/956377138.db2.gz CACVLTNFRVWXRA-OZTPJHRESA-N -1 0 313.350 -0.012 20 0 DBADRM NC(=O)[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)c1ccc(F)cc1 ZINC001594637196 956383537 /nfs/dbraw/zinc/38/35/37/956383537.db2.gz YQQFJIUDQJZRNS-NSHDSACASA-N -1 0 321.268 -0.542 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC001593950977 956383763 /nfs/dbraw/zinc/38/37/63/956383763.db2.gz IIVKKYSCIDZVDA-IVZWLZJFSA-N -1 0 302.327 -0.914 20 0 DBADRM NC(=O)[C@@H]1CC(C(=O)OCC(=O)[O-])=NN1c1ccc(F)cc1 ZINC001594637941 956386755 /nfs/dbraw/zinc/38/67/55/956386755.db2.gz FZLKHQCHMVXXEE-JTQLQIEISA-N -1 0 309.253 -0.127 20 0 DBADRM CO[C@H]1COCC[C@H]1N(C)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593951224 956388002 /nfs/dbraw/zinc/38/80/02/956388002.db2.gz LUXDHQWGRRDHSK-DBIOUOCHSA-N -1 0 314.338 -0.772 20 0 DBADRM NC(=O)C1(O)CN(Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001594638059 956389593 /nfs/dbraw/zinc/38/95/93/956389593.db2.gz KBTAPOJJCGXFAQ-JTQLQIEISA-N -1 0 323.349 -0.387 20 0 DBADRM CO[C@@H]1CN(C(=O)NCCOCCOCC(=O)[O-])CCO1 ZINC001593951585 956393237 /nfs/dbraw/zinc/39/32/37/956393237.db2.gz UPLWQIXTHPFOKK-NSHDSACASA-N -1 0 306.315 -0.882 20 0 DBADRM NC(=O)CCC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001594638509 956394269 /nfs/dbraw/zinc/39/42/69/956394269.db2.gz KBEQZSJILJBEBJ-VIFPVBQESA-N -1 0 311.338 -0.824 20 0 DBADRM C[C@@H](OC(=O)[C@@H](C)C(=O)[O-])C(=O)NCCN1CCOCC1 ZINC001589159384 956395187 /nfs/dbraw/zinc/39/51/87/956395187.db2.gz SOLUWZFCDZOIAD-VHSXEESVSA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@H](OC(=O)C1(CC(=O)[O-])CCOCC1)C(=O)NC(N)=O ZINC001589159413 956395867 /nfs/dbraw/zinc/39/58/67/956395867.db2.gz TYUXFCQTHJTYML-ZETCQYMHSA-N -1 0 302.283 -0.616 20 0 DBADRM CN1CCN(C(=O)CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC001598604522 1017333221 /nfs/dbraw/zinc/33/32/21/1017333221.db2.gz MOLRBBPSSGLJOJ-NWDGAFQWSA-N -1 0 311.382 -0.232 20 0 DBADRM CO[C@@H]1COCC[C@H]1Cn1nnnc1N(C)C[C@H](C)C(=O)[O-] ZINC001593952076 956400901 /nfs/dbraw/zinc/40/09/01/956400901.db2.gz ZKRQNUWQSBBVPX-GARJFASQSA-N -1 0 313.358 -0.119 20 0 DBADRM NC(=O)C[C@@H]1COCCN1C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594639210 956402200 /nfs/dbraw/zinc/40/22/00/956402200.db2.gz ROECVQKNHMAANX-MXWKQRLJSA-N -1 0 314.338 -0.641 20 0 DBADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])cn1)C(=O)N1CCNC1=O ZINC001589160411 956405629 /nfs/dbraw/zinc/40/56/29/956405629.db2.gz IGBWGTKUVKPMEY-SSDOTTSWSA-N -1 0 307.262 -0.123 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)C2(C(=O)[O-])CCCCC2)C[C@@H]1C(N)=O ZINC001594640078 956410491 /nfs/dbraw/zinc/41/04/91/956410491.db2.gz ABOXYVSIUSOBQY-IUCAKERBSA-N -1 0 311.338 -0.933 20 0 DBADRM NC(=O)CN1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1 ZINC001594640904 956418703 /nfs/dbraw/zinc/41/87/03/956418703.db2.gz CPIOHICYANSNGP-RQOWECAXSA-N -1 0 307.306 -0.380 20 0 DBADRM COC[C@@H](C)CNC(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001593955072 956421393 /nfs/dbraw/zinc/42/13/93/956421393.db2.gz XQVWMEIOHJDTLR-IINYFYTJSA-N -1 0 316.354 -0.665 20 0 DBADRM NC(=O)CNC(=O)c1ccc(OC(=O)[C@H](C(=O)[O-])C2CC2)cc1 ZINC001594641521 956424501 /nfs/dbraw/zinc/42/45/01/956424501.db2.gz REMRHBZZJVFKJH-LBPRGKRZSA-N -1 0 320.301 -0.082 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1=O ZINC001594641695 956425783 /nfs/dbraw/zinc/42/57/83/956425783.db2.gz YUHDCUSODVXRHL-UHFFFAOYSA-N -1 0 305.290 -0.846 20 0 DBADRM NC(=O)CN1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1=O ZINC001594641674 956426297 /nfs/dbraw/zinc/42/62/97/956426297.db2.gz XVRYVUQPCPQWTP-RQOWECAXSA-N -1 0 321.289 -0.853 20 0 DBADRM NC(=O)Cc1occc1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001594642232 956428694 /nfs/dbraw/zinc/42/86/94/956428694.db2.gz JHAUCEOPGKUFIF-MRVPVSSYSA-N -1 0 310.262 -0.850 20 0 DBADRM NC(=O)Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC001594642446 956429871 /nfs/dbraw/zinc/42/98/71/956429871.db2.gz PBMVTTLNZMHDJP-NSHDSACASA-N -1 0 319.317 -0.272 20 0 DBADRM COC[C@H](C)OC[C@@H](O)CN1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001593956420 956430520 /nfs/dbraw/zinc/43/05/20/956430520.db2.gz WIRIQTCVGBNOFQ-OBJOEFQTSA-N -1 0 321.370 -0.799 20 0 DBADRM COC[C@@H](C)NC(=S)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593956467 956432044 /nfs/dbraw/zinc/43/20/44/956432044.db2.gz XWCBBSNBSXGCJG-ZJUUUORDSA-N -1 0 317.411 -0.049 20 0 DBADRM COC[C@H](Cn1nnnc1N1C[C@H](C)C[C@@H](C(=O)[O-])C1)OC ZINC001593956526 956433384 /nfs/dbraw/zinc/43/33/84/956433384.db2.gz AQACRFJLVQKYMO-MXWKQRLJSA-N -1 0 313.358 -0.119 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001594644647 956434685 /nfs/dbraw/zinc/43/46/85/956434685.db2.gz IMXQKSQLDNIQFM-DTWKUNHWSA-N -1 0 313.310 -0.994 20 0 DBADRM NC(=O)Cn1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)cn1 ZINC001594645096 956435962 /nfs/dbraw/zinc/43/59/62/956435962.db2.gz NIKTWPLUPLTGSR-PSASIEDQSA-N -1 0 310.310 -0.423 20 0 DBADRM NC(=O)Cn1cnc(-c2noc([C@H]3CC[C@@H](C(=O)[O-])C3)n2)n1 ZINC001594645678 956438458 /nfs/dbraw/zinc/43/84/58/956438458.db2.gz UUQVDSQPCDFXET-NKWVEPMBSA-N -1 0 306.282 -0.218 20 0 DBADRM COC[C@H](CCNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)OC ZINC001593957107 956441908 /nfs/dbraw/zinc/44/19/08/956441908.db2.gz ADBHGFBRTUDIEE-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N(CCC(=O)[O-])C2CCOCC2)O1 ZINC001594647686 956446122 /nfs/dbraw/zinc/44/61/22/956446122.db2.gz CDIKSYBLYIXESF-WDEREUQCSA-N -1 0 314.338 -0.498 20 0 DBADRM COC[C@@H](CCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)OC ZINC001593958074 956456757 /nfs/dbraw/zinc/45/67/57/956456757.db2.gz OKYCPTRIEXNUJR-JTNHKYCSSA-N -1 0 316.354 -0.220 20 0 DBADRM COC[C@H](CO)NC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001593958144 956458535 /nfs/dbraw/zinc/45/85/35/956458535.db2.gz PWHZQXNWBJETOH-JXJNQWLDSA-N -1 0 316.354 -0.295 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)OC ZINC001593958307 956460436 /nfs/dbraw/zinc/46/04/36/956460436.db2.gz XOPCYCFQMCGYOB-VHSXEESVSA-N -1 0 302.327 -0.913 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cc(C)on2)C1 ZINC001593958864 956466669 /nfs/dbraw/zinc/46/66/69/956466669.db2.gz NNZGECLOKFQBLJ-CYBMUJFWSA-N -1 0 311.294 -0.129 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H](F)C2)C1 ZINC001593959244 956470327 /nfs/dbraw/zinc/47/03/27/956470327.db2.gz UXWAGOPADLIASS-QMTHXVAHSA-N -1 0 316.329 -0.103 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H](F)C2)C1 ZINC001593959245 956470347 /nfs/dbraw/zinc/47/03/47/956470347.db2.gz UXWAGOPADLIASS-YGRLFVJLSA-N -1 0 316.329 -0.103 20 0 DBADRM COC[C@H](OC)C(=O)O[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593959468 956471855 /nfs/dbraw/zinc/47/18/55/956471855.db2.gz YZPFQEQTOMTKFN-ZJUUUORDSA-N -1 0 303.311 -0.343 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CC[C@H](C)O)C1 ZINC001593959391 956472233 /nfs/dbraw/zinc/47/22/33/956472233.db2.gz WLIUHZZRNWMMLY-HZMBPMFUSA-N -1 0 316.354 -0.835 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC001593959728 956474657 /nfs/dbraw/zinc/47/46/57/956474657.db2.gz CYNBIMATJJKMFG-SWHYSGLUSA-N -1 0 300.355 -0.609 20 0 DBADRM NC(=O)c1ccccc1NC(=O)CN[C@@]1(C(=O)[O-])CCOC1 ZINC001594652475 956482193 /nfs/dbraw/zinc/48/21/93/956482193.db2.gz WCZPRBNZLCBPHT-AWEZNQCLSA-N -1 0 307.306 -0.443 20 0 DBADRM NC(=O)c1cn(C2CN(C(=O)[C@@H](C(=O)[O-])C3CCCC3)C2)nn1 ZINC001594653293 956486157 /nfs/dbraw/zinc/48/61/57/956486157.db2.gz IORMMQNSZVUTCG-NSHDSACASA-N -1 0 321.337 -0.349 20 0 DBADRM NC(=O)c1cnn(CCOC(=O)c2cnc(C(=O)[O-])cn2)c1 ZINC001594653532 956487386 /nfs/dbraw/zinc/48/73/86/956487386.db2.gz QKSYKXJBKCBCIZ-UHFFFAOYSA-N -1 0 305.250 -0.673 20 0 DBADRM NC(=O)c1cn(CCCCNC(=O)C2(C(=O)[O-])CC=CC2)nn1 ZINC001594653619 956488925 /nfs/dbraw/zinc/48/89/25/956488925.db2.gz RGDNJGCUISMAKN-UHFFFAOYSA-N -1 0 321.337 -0.306 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC001594653606 956489021 /nfs/dbraw/zinc/48/90/21/956489021.db2.gz AWBHUIIBURKNEG-RTBKNWGFSA-N -1 0 319.383 -0.298 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccncc2)C1 ZINC001593961663 956489771 /nfs/dbraw/zinc/48/97/71/956489771.db2.gz MCDYKZVEDDQJRX-HNNXBMFYSA-N -1 0 321.333 -0.239 20 0 DBADRM NC(=O)c1coc(CNC(=O)C2(C(=O)[O-])CCSCC2)n1 ZINC001594653734 956489775 /nfs/dbraw/zinc/48/97/75/956489775.db2.gz URVDJBXJVDIQDY-UHFFFAOYSA-N -1 0 313.335 -0.012 20 0 DBADRM NC(=O)c1ncn(CC(=O)N2CCC(CCC(=O)[O-])CC2)n1 ZINC001594653890 956492796 /nfs/dbraw/zinc/49/27/96/956492796.db2.gz FSNDLIAHMVTGGP-UHFFFAOYSA-N -1 0 309.326 -0.520 20 0 DBADRM NC(=O)c1ncn(CC(=O)NCc2cccc(C(=O)[O-])c2)n1 ZINC001594654202 956493839 /nfs/dbraw/zinc/49/38/39/956493839.db2.gz LCANZOVZOYWIPW-UHFFFAOYSA-N -1 0 303.278 -0.608 20 0 DBADRM C[C@@H](c1ccccn1)N(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001589175362 956495702 /nfs/dbraw/zinc/49/57/02/956495702.db2.gz AJGOKDKXSCZSKP-CMPLNLGQSA-N -1 0 321.333 -0.087 20 0 DBADRM NS(=O)(=O)C1(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)CC1 ZINC001594654752 956498185 /nfs/dbraw/zinc/49/81/85/956498185.db2.gz WNCHNBZAIHZOED-UHFFFAOYSA-N -1 0 300.292 -0.150 20 0 DBADRM NC(=O)c1ncn(CC(=O)N(CC(=O)[O-])c2ccccc2)n1 ZINC001594654783 956498209 /nfs/dbraw/zinc/49/82/09/956498209.db2.gz XEVJPTUDTJGTKW-UHFFFAOYSA-N -1 0 303.278 -0.505 20 0 DBADRM NS(=O)(=O)C1CN(CCOc2ccccc2C(=O)[O-])C1 ZINC001594654776 956498266 /nfs/dbraw/zinc/49/82/66/956498266.db2.gz XAHTVUXOLKMRQV-UHFFFAOYSA-N -1 0 300.336 -0.264 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCC2N=NC(=O)N2C)C1 ZINC001593962186 956498699 /nfs/dbraw/zinc/49/86/99/956498699.db2.gz KEBICKTWOPCEED-GFCCVEGCSA-N -1 0 313.314 -0.847 20 0 DBADRM NS(=O)(=O)NC1CN(C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001594655056 956501950 /nfs/dbraw/zinc/50/19/50/956501950.db2.gz IKKIYSMFLDXGMW-UHFFFAOYSA-N -1 0 319.383 -0.585 20 0 DBADRM NS(=O)(=O)NC1CCN(C(=O)CCCCC(=O)[O-])CC1 ZINC001594655055 956502306 /nfs/dbraw/zinc/50/23/06/956502306.db2.gz IKAWMBCPNCGSQC-UHFFFAOYSA-N -1 0 307.372 -0.585 20 0 DBADRM NS(=O)(=O)CCOCCNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001594657128 956506506 /nfs/dbraw/zinc/50/65/06/956506506.db2.gz AZZKUQRVJDQGOM-JTQLQIEISA-N -1 0 322.383 -0.701 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001594657716 956508107 /nfs/dbraw/zinc/50/81/07/956508107.db2.gz KTNKJFVXIMQGNC-UHFFFAOYSA-N -1 0 322.383 -0.557 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)C2(CC(=O)[O-])CCC2)C1 ZINC001594658147 956511226 /nfs/dbraw/zinc/51/12/26/956511226.db2.gz WRISTZDJKSWBIB-SECBINFHSA-N -1 0 304.368 -0.232 20 0 DBADRM Nc1c(C(=O)N2CCOC[C@@H]2C(=O)[O-])cnn1-c1ccccn1 ZINC001594658835 956513608 /nfs/dbraw/zinc/51/36/08/956513608.db2.gz BLWCJPKJCHRVJS-SNVBAGLBSA-N -1 0 317.305 -0.225 20 0 DBADRM NS(=O)(=O)c1ccc(OCC(=O)NCCCC(=O)[O-])cc1 ZINC001594660717 956534495 /nfs/dbraw/zinc/53/44/95/956534495.db2.gz YGJGSTUQKQUPEZ-UHFFFAOYSA-N -1 0 316.335 -0.306 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001593965756 956535826 /nfs/dbraw/zinc/53/58/26/956535826.db2.gz DGIGFAQQWDLNMK-CQSZACIVSA-N -1 0 307.306 -0.256 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)CNC(=O)c1ncccc1O ZINC001589185166 956558952 /nfs/dbraw/zinc/55/89/52/956558952.db2.gz XRVNKYUXHVPWIY-AWEZNQCLSA-N -1 0 307.306 -0.017 20 0 DBADRM Nc1ncc2c(n1)CCN(C(=O)C1(C(=O)[O-])CCOCC1)C2 ZINC001594664976 956564119 /nfs/dbraw/zinc/56/41/19/956564119.db2.gz JSDDOGSTRFVZEP-UHFFFAOYSA-N -1 0 306.322 -0.175 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C)nn2)C1 ZINC001593967226 956566364 /nfs/dbraw/zinc/56/63/64/956566364.db2.gz GJQFQSNBHRVHID-LBPRGKRZSA-N -1 0 315.351 -0.103 20 0 DBADRM Nc1ccc(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1 ZINC001594665353 956568679 /nfs/dbraw/zinc/56/86/79/956568679.db2.gz ACTHWAZNXXKKEZ-ZANVPECISA-N -1 0 312.347 -0.010 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCO[C@@H]2CCOC2)C1 ZINC001589187745 956571401 /nfs/dbraw/zinc/57/14/01/956571401.db2.gz HHWDVPKYAJMEFZ-QMTHXVAHSA-N -1 0 314.338 -0.769 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@H](CCO)C2)C1 ZINC001589187876 956572855 /nfs/dbraw/zinc/57/28/55/956572855.db2.gz IYRQXWBUDXJUOR-ABAIWWIYSA-N -1 0 312.366 -0.069 20 0 DBADRM COC[C@@]1(C(=O)[O-])CC[N@@H+]([C@H]2CS(=O)(=O)C[C@H]2OC)C1 ZINC001593967602 956573069 /nfs/dbraw/zinc/57/30/69/956573069.db2.gz KBGIOHTWXFCQDA-HOSYDEDBSA-N -1 0 307.368 -0.779 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H](CCO)C2)C1 ZINC001589187878 956573060 /nfs/dbraw/zinc/57/30/60/956573060.db2.gz IYRQXWBUDXJUOR-NHYWBVRUSA-N -1 0 312.366 -0.069 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C2(S(C)(=O)=O)CCOCC2)C1 ZINC001589188124 956574967 /nfs/dbraw/zinc/57/49/67/956574967.db2.gz AGRYDGTXUPARQL-LBPRGKRZSA-N -1 0 319.379 -0.097 20 0 DBADRM Nc1nc(C2CC2)ncc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001594666731 956581869 /nfs/dbraw/zinc/58/18/69/956581869.db2.gz VNNVXAJDZMIZSQ-UHFFFAOYSA-N -1 0 319.321 -0.695 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C1CN(CC(F)F)C1)C2 ZINC001594667254 956588533 /nfs/dbraw/zinc/58/85/33/956588533.db2.gz DKFWWENNQAWNGI-NOZJJQNGSA-N -1 0 304.293 -0.257 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2nccc(S(C)(=O)=O)n2)C1 ZINC001593969752 956595309 /nfs/dbraw/zinc/59/53/09/956595309.db2.gz CWOSBPDZSZDOTN-LBPRGKRZSA-N -1 0 315.351 -0.192 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C(C)(C)CNC(C)=O)CCO1 ZINC001593969891 956597554 /nfs/dbraw/zinc/59/75/54/956597554.db2.gz HRMZGYZLIBEFDF-AWEZNQCLSA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2nnnn2[C@H]2COC[C@@H]2C)C1 ZINC001593969925 956597781 /nfs/dbraw/zinc/59/77/81/956597781.db2.gz IEKITEWVZDPQPM-KWBADKCTSA-N -1 0 311.342 -0.192 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C[C@H]2CCCC(=O)N2)CCO1 ZINC001593971429 956622589 /nfs/dbraw/zinc/62/25/89/956622589.db2.gz GKWWNTJMEVTLFD-QMTHXVAHSA-N -1 0 314.338 -0.626 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@@H](C)C[S@@](C)=O)CCO1 ZINC001593971632 956624727 /nfs/dbraw/zinc/62/47/27/956624727.db2.gz DEYOLXHXMXAJEC-BJWRNBNPSA-N -1 0 322.383 -0.735 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NC2CCOCC2)CCO1 ZINC001593971878 956627981 /nfs/dbraw/zinc/62/79/81/956627981.db2.gz QWJGEOPTEOQNPP-ZDUSSCGKSA-N -1 0 302.327 -0.323 20 0 DBADRM C[C@@]1(C(N)=O)CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001589202835 956644722 /nfs/dbraw/zinc/64/47/22/956644722.db2.gz FFQMBIUNNYFSTL-YMTOWFKASA-N -1 0 311.338 -0.967 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@]2(C)CCC(=O)NC2)CCO1 ZINC001593974411 956651392 /nfs/dbraw/zinc/65/13/92/956651392.db2.gz LSLMKTLACHVAJP-UONOGXRCSA-N -1 0 314.338 -0.769 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CCc2nccn2C)CCO1 ZINC001593974734 956653704 /nfs/dbraw/zinc/65/37/04/956653704.db2.gz OKUGEPLNBBSXSR-AWEZNQCLSA-N -1 0 311.338 -0.319 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C2=C[S@](=O)CCC2)CCO1 ZINC001593976318 956667091 /nfs/dbraw/zinc/66/70/91/956667091.db2.gz XIHGHQJYSBMGAB-YEJXKQKISA-N -1 0 317.363 -0.259 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@]2(C)CCN(C)C2=O)CCO1 ZINC001593976442 956668495 /nfs/dbraw/zinc/66/84/95/956668495.db2.gz YKBUJPPINOAKAL-KGLIPLIRSA-N -1 0 314.338 -0.817 20 0 DBADRM CC1(C)CC(=O)NCCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589209733 956677480 /nfs/dbraw/zinc/67/74/80/956677480.db2.gz DJOKBOLJRDEBSO-UHFFFAOYSA-N -1 0 321.333 -0.326 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCc2nnc(C)o2)CCO1 ZINC001593977454 956678859 /nfs/dbraw/zinc/67/88/59/956678859.db2.gz BHBHJDFBCUXIOP-GFCCVEGCSA-N -1 0 314.298 -0.610 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCc2ncccn2)CCO1 ZINC001593977921 956681790 /nfs/dbraw/zinc/68/17/90/956681790.db2.gz DETYSOZMDGBHKN-CYBMUJFWSA-N -1 0 310.310 -0.512 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCc2ncccn2)CCO1 ZINC001593977925 956682289 /nfs/dbraw/zinc/68/22/89/956682289.db2.gz DETYSOZMDGBHKN-ZDUSSCGKSA-N -1 0 310.310 -0.512 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)CCC(=O)N2CCC(O)CC2)CCOC1 ZINC001594678879 956684985 /nfs/dbraw/zinc/68/49/85/956684985.db2.gz MDESTGLMUGGIQN-CQSZACIVSA-N -1 0 314.338 -0.890 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cc(C=O)n(C)n2)CCO1 ZINC001593979525 956702433 /nfs/dbraw/zinc/70/24/33/956702433.db2.gz BEAHOWGBENOSMJ-ZDUSSCGKSA-N -1 0 311.294 -0.825 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC(NS(N)(=O)=O)CC1 ZINC001589212766 956706827 /nfs/dbraw/zinc/70/68/27/956706827.db2.gz SOISQXFDOVLNRV-GFCCVEGCSA-N -1 0 319.383 -0.729 20 0 DBADRM O=C([O-])c1c[nH]nc1NC(=O)CCN1CCCS1(=O)=O ZINC001594685382 956709849 /nfs/dbraw/zinc/70/98/49/956709849.db2.gz ZCIJKPICANSFNX-UHFFFAOYSA-N -1 0 302.312 -0.528 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2ccc(C(N)=O)nc2)CCO1 ZINC001593981055 956713144 /nfs/dbraw/zinc/71/31/44/956713144.db2.gz WTHJDBBDBUEXNO-CQSZACIVSA-N -1 0 323.305 -0.877 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2cn(C)nc2OC)CCO1 ZINC001593982662 956723869 /nfs/dbraw/zinc/72/38/69/956723869.db2.gz IVXUYRXBFILLOJ-ZDUSSCGKSA-N -1 0 313.310 -0.629 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(S(=O)(=O)N(C)CC2CC2)CCO1 ZINC001593984020 956741177 /nfs/dbraw/zinc/74/11/77/956741177.db2.gz NADAIWCVBFLNEH-LBPRGKRZSA-N -1 0 322.383 -0.625 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCCc1nnc2n1CCNC2=O ZINC001589218407 956743711 /nfs/dbraw/zinc/74/37/11/956743711.db2.gz SEKDMOLDNGTVCV-CQSZACIVSA-N -1 0 321.337 -0.819 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001589218767 956748449 /nfs/dbraw/zinc/74/84/49/956748449.db2.gz YEVPHEOJQQMHHN-GFCCVEGCSA-N -1 0 304.368 -0.505 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)CCn1cnccc1=O ZINC001594691496 956752445 /nfs/dbraw/zinc/75/24/45/956752445.db2.gz MGBSKHQDKSJCAI-LBPRGKRZSA-N -1 0 316.317 -0.160 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2C2CC=CC2)CCO1 ZINC001593984715 956754322 /nfs/dbraw/zinc/75/43/22/956754322.db2.gz KOFMZDBYJRUUSK-ZDUSSCGKSA-N -1 0 309.326 -0.129 20 0 DBADRM O=C(CN1CCCC2(CC2)S1(=O)=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594692445 956756444 /nfs/dbraw/zinc/75/64/44/956756444.db2.gz OXKJWVYOKFXERY-AOOOYVTPSA-N -1 0 316.379 -0.076 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2ccc3nc(C)nn3n2)CCO1 ZINC001593984968 956758738 /nfs/dbraw/zinc/75/87/38/956758738.db2.gz NXBNUSNXDMAOAX-ZDUSSCGKSA-N -1 0 307.310 -0.261 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(S(=O)(=O)[C@@H]2CCO[C@H]2C)CCO1 ZINC001593985321 956766300 /nfs/dbraw/zinc/76/63/00/956766300.db2.gz WTTFLVYKFRUPMA-UMNHJUIQSA-N -1 0 323.367 -0.704 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@H](O)CC2(O)CCCC2)CCO1 ZINC001593985421 956768413 /nfs/dbraw/zinc/76/84/13/956768413.db2.gz GRSVLLGLKAALFN-DOMZBBRYSA-N -1 0 317.382 -0.156 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CC(=O)N2CCCCC2)CCO1 ZINC001593985487 956769834 /nfs/dbraw/zinc/76/98/34/956769834.db2.gz HULWQZCISDKMSS-AWEZNQCLSA-N -1 0 300.355 -0.199 20 0 DBADRM O=C(CN1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1)NC1CC1 ZINC001594695894 956770056 /nfs/dbraw/zinc/77/00/56/956770056.db2.gz DPFQHPIGSZSAAY-VXGBXAGGSA-N -1 0 309.366 -0.480 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2nnnn2C2CC(C)C2)CCO1 ZINC001593985789 956776518 /nfs/dbraw/zinc/77/65/18/956776518.db2.gz VTCRNUQHWXVNOZ-SRHKJQAYSA-N -1 0 311.342 -0.050 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2C2CC(C)C2)CCO1 ZINC001593985790 956776758 /nfs/dbraw/zinc/77/67/58/956776758.db2.gz VTCRNUQHWXVNOZ-ZPPKWKGLSA-N -1 0 311.342 -0.050 20 0 DBADRM COC[C@@]1(C(=O)OC)CCCN1C(=O)[C@@](C)(OC)C(=O)[O-] ZINC001593985964 956780174 /nfs/dbraw/zinc/78/01/74/956780174.db2.gz XREDHGMJIZJQEL-CHWSQXEVSA-N -1 0 303.311 -0.343 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CCOC2CCOCC2)CCO1 ZINC001593986232 956785696 /nfs/dbraw/zinc/78/56/96/956785696.db2.gz QPCGMVCUFJYIKQ-CQSZACIVSA-N -1 0 303.355 -0.016 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CCN2CCO[C@H](C)C2)CCO1 ZINC001593986357 956788866 /nfs/dbraw/zinc/78/88/66/956788866.db2.gz ULXWEYRJKDBVGE-OCCSQVGLSA-N -1 0 302.371 -0.491 20 0 DBADRM COC[C@@]1(C)CN(C(=O)C(=O)N(C)CCC(=O)[O-])CCO1 ZINC001593986586 956795193 /nfs/dbraw/zinc/79/51/93/956795193.db2.gz AVQNBAOXXNLPPC-CYBMUJFWSA-N -1 0 302.327 -0.817 20 0 DBADRM O=C([O-])C1CN(C(=O)COCC(=O)NCc2cccnc2)C1 ZINC001594701450 956803823 /nfs/dbraw/zinc/80/38/23/956803823.db2.gz FGNIYKAHPGBBSC-UHFFFAOYSA-N -1 0 307.306 -0.743 20 0 DBADRM COCC1=CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001593988892 956812841 /nfs/dbraw/zinc/81/28/41/956812841.db2.gz QKUMVTKAFAXIKX-UHFFFAOYSA-N -1 0 322.321 -0.289 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)NCCCCC(=O)[O-])CCO1 ZINC001593989393 956817645 /nfs/dbraw/zinc/81/76/45/956817645.db2.gz KYGWQEISNBGSTA-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM CC1(C)CN(C(=O)NCCOCC(=O)[O-])[C@@H]2COC[C@H]2O1 ZINC001589230579 956820717 /nfs/dbraw/zinc/82/07/17/956820717.db2.gz ZEPNDYNEMBUMLD-NXEZZACHSA-N -1 0 302.327 -0.325 20 0 DBADRM CC1(C)CN([C@@H]2CCN(CC(=O)[O-])C2=O)CCS1(=O)=O ZINC001589231297 956820900 /nfs/dbraw/zinc/82/09/00/956820900.db2.gz DCRVVSRQWDXXLZ-SECBINFHSA-N -1 0 304.368 -0.819 20 0 DBADRM COC[C@@H]1COCCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001593989778 956825431 /nfs/dbraw/zinc/82/54/31/956825431.db2.gz DHZGYUJRTPABEB-SNVBAGLBSA-N -1 0 314.338 -0.769 20 0 DBADRM CC1(C)CN(CCNC(=O)[C@@]2(C(=O)[O-])CCCO2)CCO1 ZINC001589231634 956827434 /nfs/dbraw/zinc/82/74/34/956827434.db2.gz WFLVNVYHYHWNJS-CQSZACIVSA-N -1 0 300.355 -0.153 20 0 DBADRM CC1(C)COCCN1CCNC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001589233780 956841293 /nfs/dbraw/zinc/84/12/93/956841293.db2.gz MTZMYCIJEJUAPW-AWEZNQCLSA-N -1 0 300.355 -0.153 20 0 DBADRM CC1(C)[C@H]2[C@H](CCCN2C(=O)C(=O)NCCCC(=O)[O-])[C@@H]1O ZINC001589238559 956849760 /nfs/dbraw/zinc/84/97/60/956849760.db2.gz VPWSAXMBZYLQIS-WCQGTBRESA-N -1 0 312.366 -0.025 20 0 DBADRM O=C([O-])c1ccccc1CC(=O)NC[C@H](O)Cn1ccnn1 ZINC001594707670 956852468 /nfs/dbraw/zinc/85/24/68/956852468.db2.gz HYMMICIDUKWSLX-NSHDSACASA-N -1 0 304.306 -0.304 20 0 DBADRM COCCC[C@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001593992863 956854300 /nfs/dbraw/zinc/85/43/00/956854300.db2.gz JIOKWIIXHOOWCE-VHSXEESVSA-N -1 0 307.368 -0.241 20 0 DBADRM COCCCN(C(=O)[C@H](OC)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001593993986 956865105 /nfs/dbraw/zinc/86/51/05/956865105.db2.gz ZXAKOMJBCHTHFF-ZJUUUORDSA-N -1 0 323.367 -0.862 20 0 DBADRM COCCCS(=O)(=O)N1CCN(C(=O)[C@H](C)C(=O)[O-])CC1 ZINC001593994709 956869521 /nfs/dbraw/zinc/86/95/21/956869521.db2.gz CWGTZZSRDSDWPP-JTQLQIEISA-N -1 0 322.383 -0.782 20 0 DBADRM COCCCS(=O)(=O)N1CCN(C(=O)[C@@H](C)C(=O)[O-])CC1 ZINC001593994710 956869556 /nfs/dbraw/zinc/86/95/56/956869556.db2.gz CWGTZZSRDSDWPP-SNVBAGLBSA-N -1 0 322.383 -0.782 20 0 DBADRM COCCCNC(=O)C1CCN(C(=O)[C@H](OC)C(=O)[O-])CC1 ZINC001593994667 956869912 /nfs/dbraw/zinc/86/99/12/956869912.db2.gz QMMXOGIZRYTKRX-NSHDSACASA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@@]1(CCCC(=O)N2CCO[C@H](C(=O)[O-])C2)NC(=O)NC1=O ZINC001589239916 956871385 /nfs/dbraw/zinc/87/13/85/956871385.db2.gz UUCDRBQAHGJMCL-SDBXPKJASA-N -1 0 313.310 -0.933 20 0 DBADRM CC1(C)OCC[C@H]1Cn1nnnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001589240112 956873963 /nfs/dbraw/zinc/87/39/63/956873963.db2.gz NGAZPAVIRLUYRJ-VHSXEESVSA-N -1 0 311.342 -0.222 20 0 DBADRM C[C@]1(C[C@@H]2CCCN2C(=O)C2(C(=O)[O-])CC2)NC(=O)NC1=O ZINC001589240302 956878834 /nfs/dbraw/zinc/87/88/34/956878834.db2.gz ZQMPHSLTFUJAOH-ISVAXAHUSA-N -1 0 309.322 -0.170 20 0 DBADRM CC1(C)OCC(NC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CO1 ZINC001589240740 956884419 /nfs/dbraw/zinc/88/44/19/956884419.db2.gz XBXPWVKTTSWJTP-UHFFFAOYSA-N -1 0 323.305 -0.014 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCCO1 ZINC001589240910 956886650 /nfs/dbraw/zinc/88/66/50/956886650.db2.gz BWJOKVXXAKWORL-YGRLFVJLSA-N -1 0 314.338 -0.626 20 0 DBADRM CN1CCN(C(=O)C(=O)N2CCSC[C@@H](C(=O)[O-])C2)CC1 ZINC001598603713 1017333709 /nfs/dbraw/zinc/33/37/09/1017333709.db2.gz QDHHEKPRMOFLDR-JTQLQIEISA-N -1 0 315.395 -0.963 20 0 DBADRM CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC000011569165 956891291 /nfs/dbraw/zinc/89/12/91/956891291.db2.gz JXKQDAWURLHNIU-QMMMGPOBSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCC(=O)N1 ZINC001589241649 956892505 /nfs/dbraw/zinc/89/25/05/956892505.db2.gz NZOFGFXKJLLZKV-ITMYJUKJSA-N -1 0 311.338 -0.859 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001593996674 956898965 /nfs/dbraw/zinc/89/89/65/956898965.db2.gz HCEKDIYWTHQJAK-LLVKDONJSA-N -1 0 308.356 -0.982 20 0 DBADRM C[C@@]1(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCOC1 ZINC001589244342 956898921 /nfs/dbraw/zinc/89/89/21/956898921.db2.gz CRLGUIBWNPGHHX-LBPRGKRZSA-N -1 0 319.379 -0.191 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001593996827 956901341 /nfs/dbraw/zinc/90/13/41/956901341.db2.gz YIMBLTLGQBBDPR-SNVBAGLBSA-N -1 0 319.379 -0.239 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC001593996858 956901380 /nfs/dbraw/zinc/90/13/80/956901380.db2.gz CQHKDJABIJEUNR-UHFFFAOYSA-N -1 0 324.333 -0.390 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CCn1cnc2c1ncnc2N ZINC001593996951 956903240 /nfs/dbraw/zinc/90/32/40/956903240.db2.gz PLEBEBHCTNGZSM-UHFFFAOYSA-N -1 0 322.325 -0.642 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@H](NS(C)(=O)=O)C(C)C ZINC001593997687 956908997 /nfs/dbraw/zinc/90/89/97/956908997.db2.gz XUBQQHQCIMOLLR-SNVBAGLBSA-N -1 0 310.372 -0.880 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001594714529 956912170 /nfs/dbraw/zinc/91/21/70/956912170.db2.gz ZSISZZBLMOTNHW-JTQLQIEISA-N -1 0 318.289 -0.844 20 0 DBADRM O=C([O-])[C@H](C(=O)Nc1cnn(CC(=O)NCCO)c1)C1CC1 ZINC001594715007 956917407 /nfs/dbraw/zinc/91/74/07/956917407.db2.gz USAHUYUNJBFMOY-NSHDSACASA-N -1 0 310.310 -0.959 20 0 DBADRM C[C@]1(NC(=O)C(F)(F)F)CCN(CC(=O)NCC(=O)[O-])C1 ZINC001589246416 956927175 /nfs/dbraw/zinc/92/71/75/956927175.db2.gz OGEAVEITUNSDLJ-JTQLQIEISA-N -1 0 311.260 -0.670 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@H](O)[C@H](C)C1 ZINC001594001481 956932747 /nfs/dbraw/zinc/93/27/47/956932747.db2.gz RXZWAPOVMCHLOJ-MNOVXSKESA-N -1 0 316.354 -0.835 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)no1 ZINC001594001950 956936401 /nfs/dbraw/zinc/93/64/01/956936401.db2.gz WYQURCYTAREYON-UHFFFAOYSA-N -1 0 322.295 -0.817 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@H](C)c1nnnn1C ZINC001594004477 956948324 /nfs/dbraw/zinc/94/83/24/956948324.db2.gz LIOJQBQTICSNOT-MRVPVSSYSA-N -1 0 300.319 -0.596 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@H]2CC(c3ccccn3)=NO2)CCOC1 ZINC001594723877 956983907 /nfs/dbraw/zinc/98/39/07/956983907.db2.gz HDYGVIBKKDCPMM-BXUZGUMPSA-N -1 0 305.290 -0.066 20 0 DBADRM O=C([O-])C1(NC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CCOCC1 ZINC001594724665 956991418 /nfs/dbraw/zinc/99/14/18/956991418.db2.gz SRTYOXULFTZJIU-NXEZZACHSA-N -1 0 310.310 -0.663 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)NC(C)(C)CC(=O)[O-] ZINC001589256266 956993354 /nfs/dbraw/zinc/99/33/54/956993354.db2.gz AMSQELIHZWTTDX-UHFFFAOYSA-N -1 0 303.340 -0.109 20 0 DBADRM CC1=C(C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@@H](C)n2nnnc2N1C ZINC001589256450 956996006 /nfs/dbraw/zinc/99/60/06/956996006.db2.gz QNISVQWNXWVTFJ-BDAKNGLRSA-N -1 0 322.325 -0.730 20 0 DBADRM C[C@@H]1C(=O)N(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)C(=O)N1C ZINC001589258298 957017396 /nfs/dbraw/zinc/01/73/96/957017396.db2.gz HTHREWIAGHKXDY-HLTSFMKQSA-N -1 0 313.310 -0.430 20 0 DBADRM COCCN(CCOC)C1CN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC001594014568 957018816 /nfs/dbraw/zinc/01/88/16/957018816.db2.gz NLYPPSSWMGHKOJ-CYBMUJFWSA-N -1 0 314.382 -0.097 20 0 DBADRM COCCN1CC(=O)N(CC2(C(=O)[O-])CCOCC2)C1=O ZINC001594014685 957020123 /nfs/dbraw/zinc/02/01/23/957020123.db2.gz JNODMTVIOFLXKA-UHFFFAOYSA-N -1 0 300.311 -0.222 20 0 DBADRM COCCN1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C(C)(C)C1 ZINC001594015048 957025253 /nfs/dbraw/zinc/02/52/53/957025253.db2.gz NXPLMUYUTVXZJE-NSHDSACASA-N -1 0 313.354 -0.215 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)C1(C(=O)NC3CC3)CCC1)C2 ZINC001594730982 957039056 /nfs/dbraw/zinc/03/90/56/957039056.db2.gz ICRYHGAWWWRPTL-QFYYESIMSA-N -1 0 322.361 -0.005 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)C1 ZINC001594730998 957039539 /nfs/dbraw/zinc/03/95/39/957039539.db2.gz IUAKZYOTAZGZAO-OUAUKWLOSA-N -1 0 323.349 -0.811 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc(C(=O)[O-])nn1C ZINC001589261957 957041308 /nfs/dbraw/zinc/04/13/08/957041308.db2.gz ITCDTSIZUWZXDD-YUMQZZPRSA-N -1 0 315.351 -0.234 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)C1(C(=O)[O-])CCOCC1 ZINC001589262546 957047269 /nfs/dbraw/zinc/04/72/69/957047269.db2.gz OTKFZOGRKRQXMU-ZJUUUORDSA-N -1 0 319.379 -0.098 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001594017793 957048748 /nfs/dbraw/zinc/04/87/48/957048748.db2.gz DCPWUAQXRXICBE-HZMBPMFUSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCOC1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001594018322 957053341 /nfs/dbraw/zinc/05/33/41/957053341.db2.gz RAALZTQXSZVEPB-NSHDSACASA-N -1 0 300.311 -0.130 20 0 DBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)N[C@@H](C)CC(=O)[O-] ZINC001594018316 957053912 /nfs/dbraw/zinc/05/39/12/957053912.db2.gz QXIRBCAVRYCBOZ-HBNTYKKESA-N -1 0 304.343 -0.031 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)C1 ZINC001594734615 957056944 /nfs/dbraw/zinc/05/69/44/957056944.db2.gz FPKHZVSNDGBRHS-BDAKNGLRSA-N -1 0 319.308 -0.625 20 0 DBADRM COCCO[C@@H]1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001594018546 957058507 /nfs/dbraw/zinc/05/85/07/957058507.db2.gz RWGROTOAYKWHOE-LLVKDONJSA-N -1 0 324.333 -0.190 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001589263406 957065902 /nfs/dbraw/zinc/06/59/02/957065902.db2.gz LRTXGXGXEMBCFM-VIFPVBQESA-N -1 0 311.338 -0.906 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ccnn2C)C1 ZINC001589265337 957075754 /nfs/dbraw/zinc/07/57/54/957075754.db2.gz FNVYNAPYTUYFOL-NXEZZACHSA-N -1 0 308.338 -0.395 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NC1COCCOC1)C2 ZINC001594736699 957076315 /nfs/dbraw/zinc/07/63/15/957076315.db2.gz IMTGCRJGGRLEIJ-NOZJJQNGSA-N -1 0 300.311 -0.856 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ccnn2C)C1 ZINC001589265339 957076266 /nfs/dbraw/zinc/07/62/66/957076266.db2.gz FNVYNAPYTUYFOL-UWVGGRQHSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CCO1 ZINC001589265440 957076294 /nfs/dbraw/zinc/07/62/94/957076294.db2.gz GOXNSBXNRHHGLO-KXUCPTDWSA-N -1 0 305.352 -0.488 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001594021514 957083857 /nfs/dbraw/zinc/08/38/57/957083857.db2.gz DCJFTRNTMOFQBM-UWVGGRQHSA-N -1 0 307.368 -0.241 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001594021818 957086498 /nfs/dbraw/zinc/08/64/98/957086498.db2.gz MMUJLVZJEBWCJC-UWVGGRQHSA-N -1 0 307.368 -0.383 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC(O)(C(F)(F)F)CC2)nn1 ZINC000389827216 972249926 /nfs/dbraw/zinc/24/99/26/972249926.db2.gz SYIGEQGNCSASND-UHFFFAOYSA-N -1 0 322.243 -0.108 20 0 DBADRM N#CCCN(CCC#N)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000035651834 957215358 /nfs/dbraw/zinc/21/53/58/957215358.db2.gz ZFRKPJVBALMZAE-UHFFFAOYSA-N -1 0 311.323 -0.214 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](C)CO)c(CC(=O)[O-])c1 ZINC000036889173 957243846 /nfs/dbraw/zinc/24/38/46/957243846.db2.gz KRCKHPFOKIHXRM-MRVPVSSYSA-N -1 0 303.336 -0.019 20 0 DBADRM CN(C)C(=O)CNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000037225469 957266697 /nfs/dbraw/zinc/26/66/97/957266697.db2.gz XJBMNWOXVKSACJ-UHFFFAOYSA-N -1 0 300.336 -0.108 20 0 DBADRM CNC(=O)NC(=O)[C@@H](C)Sc1[nH]c(=O)nc(C)c1C(=O)[O-] ZINC000037404618 957276930 /nfs/dbraw/zinc/27/69/30/957276930.db2.gz RASQKGACLRTFDT-RXMQYKEDSA-N -1 0 314.323 -0.287 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)Cn1cc(Br)ccc1=O ZINC000037451626 957297217 /nfs/dbraw/zinc/29/72/17/957297217.db2.gz MORCNGLTEOSQFT-ZETCQYMHSA-N -1 0 319.111 -0.828 20 0 DBADRM CCOC(=O)C[C@H]1CCCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC001325715750 957311755 /nfs/dbraw/zinc/31/17/55/957311755.db2.gz DVENTZXMXLGBPS-SNVBAGLBSA-N -1 0 314.338 -0.136 20 0 DBADRM CC(C)N(CCC(=O)[O-])CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000037596101 957312929 /nfs/dbraw/zinc/31/29/29/957312929.db2.gz PTOJANRSXOTXJI-SNVBAGLBSA-N -1 0 306.384 -0.525 20 0 DBADRM NS(=O)(=O)NC[C@H]1CCCN(C(=O)CCCCC(=O)[O-])C1 ZINC000037835015 957332380 /nfs/dbraw/zinc/33/23/80/957332380.db2.gz VHCZFVJCXFDARN-SNVBAGLBSA-N -1 0 321.399 -0.337 20 0 DBADRM COC(=O)CCCN(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037837311 957333499 /nfs/dbraw/zinc/33/34/99/957333499.db2.gz LSNCCYOHXPNWPP-UHFFFAOYSA-N -1 0 305.312 -0.318 20 0 DBADRM CCOC(=O)CN(C1CC1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037838810 957335604 /nfs/dbraw/zinc/33/56/04/957335604.db2.gz JNKGXTQNLYNZPC-UHFFFAOYSA-N -1 0 317.323 -0.176 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N(CCO)CCO)cc1 ZINC000037838786 957335783 /nfs/dbraw/zinc/33/57/83/957335783.db2.gz ZBEFHCWLTHEEMH-UHFFFAOYSA-N -1 0 303.336 -0.711 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)CSCC(=O)N1CCOCC1 ZINC000038022871 957348533 /nfs/dbraw/zinc/34/85/33/957348533.db2.gz BCADTUCPJHDBRG-UHFFFAOYSA-N -1 0 318.395 -0.098 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000042162331 957401284 /nfs/dbraw/zinc/40/12/84/957401284.db2.gz ZIGZCHVZMVDREN-ZJUUUORDSA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])C[C@H]1CCCN1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000042162330 957401521 /nfs/dbraw/zinc/40/15/21/957401521.db2.gz ZIGZCHVZMVDREN-NXEZZACHSA-N -1 0 304.368 -0.771 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)N[C@@]2(C(=O)[O-])CCSC2)C1 ZINC000043508958 957433569 /nfs/dbraw/zinc/43/35/69/957433569.db2.gz CWMXEUKLCBSXMQ-PELKAZGASA-N -1 0 301.368 -0.146 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)cn1 ZINC000052007718 957508630 /nfs/dbraw/zinc/50/86/30/957508630.db2.gz ZWBNQWMGRVEGNR-NXEZZACHSA-N -1 0 303.340 -0.451 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)NCCOCCO)c1 ZINC000052925608 957515387 /nfs/dbraw/zinc/51/53/87/957515387.db2.gz XJKQMLKCIWZESM-UHFFFAOYSA-N -1 0 307.299 -0.189 20 0 DBADRM O=C([O-])[C@H](NC(=O)CNS(=O)(=O)c1ccccc1)C1CC1 ZINC000054500934 957531766 /nfs/dbraw/zinc/53/17/66/957531766.db2.gz NLGBZKKSIVKBLH-GFCCVEGCSA-N -1 0 312.347 -0.056 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCN1CCOCC1 ZINC000055311129 957543026 /nfs/dbraw/zinc/54/30/26/957543026.db2.gz NYQYAZBXOLHCBO-UHFFFAOYSA-N -1 0 318.351 -0.103 20 0 DBADRM Cn1c(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)ccc1[N+](=O)[O-] ZINC000390349569 972277683 /nfs/dbraw/zinc/27/76/83/972277683.db2.gz LQLVOTDOZNIHJB-UHFFFAOYSA-N -1 0 320.265 -0.080 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)NCCNS(C)(=O)=O)C1 ZINC000062873943 957617561 /nfs/dbraw/zinc/61/75/61/957617561.db2.gz OTVQOTOFXAGOPZ-NSHDSACASA-N -1 0 307.372 -0.568 20 0 DBADRM COCCCNC(=O)[C@@H](C)SC[C@H](NC(C)=O)C(=O)[O-] ZINC000069555134 957652404 /nfs/dbraw/zinc/65/24/04/957652404.db2.gz MHZLBGYQVSJPFV-SCZZXKLOSA-N -1 0 306.384 -0.150 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)nn1 ZINC001574738368 957677171 /nfs/dbraw/zinc/67/71/71/957677171.db2.gz QVAPCCVUYNMHQY-JTQLQIEISA-N -1 0 324.337 -0.179 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC3(CNC(=O)O3)CC2)nn1 ZINC001574738580 957678761 /nfs/dbraw/zinc/67/87/61/957678761.db2.gz UOPLWJTXPVDUNU-UHFFFAOYSA-N -1 0 309.282 -0.923 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000070523377 957679367 /nfs/dbraw/zinc/67/93/67/957679367.db2.gz PEBSWMLLZHSPPD-RKDXNWHRSA-N -1 0 315.351 -0.344 20 0 DBADRM COCCn1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])c(=O)cc1C ZINC001594023065 957683227 /nfs/dbraw/zinc/68/32/27/957683227.db2.gz AKIBWGHHLOVRCP-CQSZACIVSA-N -1 0 312.322 -0.631 20 0 DBADRM COCCS(=O)(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594023911 957690277 /nfs/dbraw/zinc/69/02/77/957690277.db2.gz MOYGDNKAGNCZEE-SECBINFHSA-N -1 0 308.356 -0.982 20 0 DBADRM COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001594024077 957691813 /nfs/dbraw/zinc/69/18/13/957691813.db2.gz KSLQFPDNLFHHFZ-VHSXEESVSA-N -1 0 323.353 -0.214 20 0 DBADRM COCCn1cc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001594025555 957715002 /nfs/dbraw/zinc/71/50/02/957715002.db2.gz VKBHDJPRGOQXJL-JTQLQIEISA-N -1 0 311.294 -0.628 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(C)nn1 ZINC001594276168 957719518 /nfs/dbraw/zinc/71/95/18/957719518.db2.gz RTUGIJZWUAAYRS-SNVBAGLBSA-N -1 0 313.335 -0.583 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001330605295 957724865 /nfs/dbraw/zinc/72/48/65/957724865.db2.gz CWJANIVDQBUJAR-ZDUSSCGKSA-N -1 0 311.382 -0.234 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)C1 ZINC001574761374 957736752 /nfs/dbraw/zinc/73/67/52/957736752.db2.gz PVUHSTDTFCIUOO-TUAOUCFPSA-N -1 0 324.377 -0.023 20 0 DBADRM COCc1n[nH]c(CNC(=O)c2cccn(CC(=O)[O-])c2=O)n1 ZINC001594031259 957760505 /nfs/dbraw/zinc/76/05/05/957760505.db2.gz LVFLLOOPSKKRLU-UHFFFAOYSA-N -1 0 321.293 -0.873 20 0 DBADRM COCc1nn(C)cc1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594032446 957771688 /nfs/dbraw/zinc/77/16/88/957771688.db2.gz DYVXSAPXWHQEFS-XPTSAGLGSA-N -1 0 309.322 -0.260 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)[C@@H]1COC[C@H]1O ZINC001574781791 957783278 /nfs/dbraw/zinc/78/32/78/957783278.db2.gz UVWQZIXJRAAITP-QJPTWQEYSA-N -1 0 315.347 -0.639 20 0 DBADRM CON(C(=O)c1cccc(CS(N)(=O)=O)c1)[C@@H](C)C(=O)[O-] ZINC001594038982 957843633 /nfs/dbraw/zinc/84/36/33/957843633.db2.gz IZZUGCHSAZVRAT-QMMMGPOBSA-N -1 0 316.335 -0.048 20 0 DBADRM CON(C(=O)c1ccc(S(N)(=O)=O)s1)[C@@H](C)C(=O)[O-] ZINC001594039154 957845501 /nfs/dbraw/zinc/84/55/01/957845501.db2.gz KALKPWDZBPNVJL-YFKPBYRVSA-N -1 0 308.337 -0.128 20 0 DBADRM CON(C(=O)c1oc(S(N)(=O)=O)cc1C)[C@H](C)C(=O)[O-] ZINC001594040842 957872479 /nfs/dbraw/zinc/87/24/79/957872479.db2.gz QSCQTZLEZUWPOP-ZCFIWIBFSA-N -1 0 306.296 -0.288 20 0 DBADRM Cc1cc(C)n(CC(=O)NC2(C(=O)[O-])CCOCC2)c(=O)n1 ZINC001594298603 957888968 /nfs/dbraw/zinc/88/89/68/957888968.db2.gz VINQXLYRJUMWFO-UHFFFAOYSA-N -1 0 309.322 -0.390 20 0 DBADRM COc1c[nH]c(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1=O ZINC001594047647 957946760 /nfs/dbraw/zinc/94/67/60/957946760.db2.gz JCDUYUUFRWPDPP-XLKFXECMSA-N -1 0 308.290 -0.443 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)C1 ZINC001574827711 957950260 /nfs/dbraw/zinc/95/02/60/957950260.db2.gz TWMWDVWXVATLBH-HRDYMLBCSA-N -1 0 323.309 -0.630 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H]2COC[C@H]2O)ccc1C(=O)[O-] ZINC001594314193 958054935 /nfs/dbraw/zinc/05/49/35/958054935.db2.gz AFHNTLRINSBSQP-GHMZBOCLSA-N -1 0 308.290 -0.492 20 0 DBADRM COc1cc(COCC(=O)N[C@@]2(C(=O)[O-])CCOC2)ccn1 ZINC001594058589 958065036 /nfs/dbraw/zinc/06/50/36/958065036.db2.gz GPJONDBVGNBQCK-AWEZNQCLSA-N -1 0 310.306 -0.033 20 0 DBADRM Cc1cc(NC(=O)CN(C)[C@@H]2CCN(CC(=O)[O-])C2=O)no1 ZINC001594317111 958078144 /nfs/dbraw/zinc/07/81/44/958078144.db2.gz MXOIHXNGFKUSSJ-SECBINFHSA-N -1 0 310.310 -0.461 20 0 DBADRM COc1cc(CS(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])sn1 ZINC001594059221 958078482 /nfs/dbraw/zinc/07/84/82/958078482.db2.gz YNWFMGIHBNHKBE-MRVPVSSYSA-N -1 0 322.364 -0.233 20 0 DBADRM C[C@H](CNC(=O)C(=O)NC[C@H]1CCCN1CC(F)F)C(=O)[O-] ZINC001348306933 958081240 /nfs/dbraw/zinc/08/12/40/958081240.db2.gz IIDPTWVCRXRZQG-RKDXNWHRSA-N -1 0 321.324 -0.331 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CO)C2)CC[C@H]1C(=O)[O-] ZINC001348446488 958081569 /nfs/dbraw/zinc/08/15/69/958081569.db2.gz HCLSPDXGGIRZOA-GRYCIOLGSA-N -1 0 312.366 -0.214 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CNC(=O)C1)C(=O)[O-] ZINC001348945118 958087314 /nfs/dbraw/zinc/08/73/14/958087314.db2.gz VREUAHXMSJCWGA-VHSXEESVSA-N -1 0 313.354 -0.898 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC(=O)NC2=O)o1 ZINC000089754726 958088093 /nfs/dbraw/zinc/08/80/93/958088093.db2.gz XCXXJWOAKHTIBC-RXMQYKEDSA-N -1 0 302.264 -0.939 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC(=O)NC1=O ZINC000089754836 958088891 /nfs/dbraw/zinc/08/88/91/958088891.db2.gz BJBIEJUGOUVAFK-ZCFIWIBFSA-N -1 0 316.291 -0.630 20 0 DBADRM COc1cc(NC(=O)C(=O)N([C@@H](C)C(=O)[O-])C2CC2)nn1C ZINC001594062234 958100636 /nfs/dbraw/zinc/10/06/36/958100636.db2.gz SKDVPWAYEYVHRL-ZETCQYMHSA-N -1 0 310.310 -0.169 20 0 DBADRM COc1cc(NC(=O)NCCOCCOCC(=O)[O-])ncn1 ZINC001594062524 958104018 /nfs/dbraw/zinc/10/40/18/958104018.db2.gz JDJSTTHKUFEUQI-UHFFFAOYSA-N -1 0 314.298 -0.276 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)n1 ZINC001351685675 958117258 /nfs/dbraw/zinc/11/72/58/958117258.db2.gz TYKDZARWOVLRRG-PSASIEDQSA-N -1 0 324.337 -0.094 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001353916523 958162384 /nfs/dbraw/zinc/16/23/84/958162384.db2.gz UZGALDHRTVACMB-WBMJQRKESA-N -1 0 323.393 -0.136 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001354247031 958168686 /nfs/dbraw/zinc/16/86/86/958168686.db2.gz KLVCQFPSRLOQDK-LPTSXCQYSA-N -1 0 324.377 -0.215 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000092697426 958173352 /nfs/dbraw/zinc/17/33/52/958173352.db2.gz GSHVKRKDBKNZCB-UHFFFAOYSA-N -1 0 312.311 -0.747 20 0 DBADRM Cc1cc(=O)[nH]c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC001594326402 958176117 /nfs/dbraw/zinc/17/61/17/958176117.db2.gz DITKIZMOSQQNHO-VIFPVBQESA-N -1 0 314.319 -0.581 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001594327453 958186187 /nfs/dbraw/zinc/18/61/87/958186187.db2.gz ZZMLZDBYRUDNQV-CYBMUJFWSA-N -1 0 320.305 -0.462 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001594327403 958187282 /nfs/dbraw/zinc/18/72/82/958187282.db2.gz WVDWPADGKSIPFT-CQSZACIVSA-N -1 0 310.306 -0.388 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001594330313 958211510 /nfs/dbraw/zinc/21/15/10/958211510.db2.gz CEGUBDIAKKSFEE-LLVKDONJSA-N -1 0 318.307 -0.791 20 0 DBADRM CCN(CC(C)(C)O)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000092970238 958234787 /nfs/dbraw/zinc/23/47/87/958234787.db2.gz CAHIXHUAXXFQIS-UHFFFAOYSA-N -1 0 305.356 -0.251 20 0 DBADRM COc1ccc(C(=O)OCC(=O)NCC(=O)[O-])c(N)c1F ZINC001594080069 958252251 /nfs/dbraw/zinc/25/22/51/958252251.db2.gz KOWLHLHQGOOJMN-UHFFFAOYSA-N -1 0 300.242 -0.226 20 0 DBADRM NC(=O)c1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)nc1 ZINC001549220247 958252156 /nfs/dbraw/zinc/25/21/56/958252156.db2.gz HQCFQWDUKULNMZ-XPTSAGLGSA-N -1 0 305.290 -0.646 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2 ZINC001549225749 958258115 /nfs/dbraw/zinc/25/81/15/958258115.db2.gz UGVIQLVBJPEDAH-HZMBPMFUSA-N -1 0 302.290 -0.098 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)Cn1ncc3cccnc31)C2 ZINC001550344261 958289193 /nfs/dbraw/zinc/28/91/93/958289193.db2.gz GCEFGNVISIQKPA-NHYWBVRUSA-N -1 0 316.317 -0.009 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552655309 958320346 /nfs/dbraw/zinc/32/03/46/958320346.db2.gz REORMSYXRGYDIY-RVBZMBCESA-N -1 0 315.326 -0.863 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC000391469591 972339672 /nfs/dbraw/zinc/33/96/72/972339672.db2.gz SFIVGOUQGJVNBK-ZDUSSCGKSA-N -1 0 324.341 -0.856 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCC2(CCO)CC2)cn1 ZINC000097817519 958350493 /nfs/dbraw/zinc/35/04/93/958350493.db2.gz GZJWCDOXJUXMJV-UHFFFAOYSA-N -1 0 303.340 -0.591 20 0 DBADRM CC1(C)C(=O)NCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000110661688 958392966 /nfs/dbraw/zinc/39/29/66/958392966.db2.gz PILGJTZHZHJJTR-UHFFFAOYSA-N -1 0 302.312 -0.993 20 0 DBADRM NS(=O)(=O)CCNC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000111339138 958427194 /nfs/dbraw/zinc/42/71/94/958427194.db2.gz MJLJXWHDHIJUOP-UHFFFAOYSA-N -1 0 317.323 -0.440 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC001594107798 958489017 /nfs/dbraw/zinc/48/90/17/958489017.db2.gz YOXJUAAVLASXCK-LLVKDONJSA-N -1 0 305.308 -0.485 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000123338065 958500170 /nfs/dbraw/zinc/50/01/70/958500170.db2.gz RDMKWHHRWDWDJS-TUAOUCFPSA-N -1 0 318.395 -0.270 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCSC1 ZINC000124614412 958539507 /nfs/dbraw/zinc/53/95/07/958539507.db2.gz VEGFZIRZCKODCR-BDAKNGLRSA-N -1 0 307.393 -0.160 20 0 DBADRM CCOC(=O)CCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000125895299 958571544 /nfs/dbraw/zinc/57/15/44/958571544.db2.gz RKMYPJONUBJJLS-SECBINFHSA-N -1 0 321.351 -0.570 20 0 DBADRM Cc1cnc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])cn1 ZINC000125912705 958572604 /nfs/dbraw/zinc/57/26/04/958572604.db2.gz BXNBGUCFRDEMMU-VIFPVBQESA-N -1 0 313.335 -0.501 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@@H]1CCCO1 ZINC000125951922 958575816 /nfs/dbraw/zinc/57/58/16/958575816.db2.gz MRZOOCRKKWQCHL-ZJUUUORDSA-N -1 0 305.352 -0.344 20 0 DBADRM CC1(C)[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@@H]1O ZINC000128026218 958628305 /nfs/dbraw/zinc/62/83/05/958628305.db2.gz ZXUWJNKBTNEHRK-BDAKNGLRSA-N -1 0 303.340 -0.595 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C[C@H](C)N1C ZINC000130956232 958740236 /nfs/dbraw/zinc/74/02/36/958740236.db2.gz JHBZARAVKQQYLD-OCAPTIKFSA-N -1 0 302.356 -0.179 20 0 DBADRM CC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000133948283 958827936 /nfs/dbraw/zinc/82/79/36/958827936.db2.gz QOALSTPKCJCTCN-QMMMGPOBSA-N -1 0 302.308 -0.123 20 0 DBADRM CC(=O)NC1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC000133936017 958828475 /nfs/dbraw/zinc/82/84/75/958828475.db2.gz LJUMYGKUKLPYLL-UHFFFAOYSA-N -1 0 316.339 -0.603 20 0 DBADRM COC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)[O-] ZINC000158306119 959089314 /nfs/dbraw/zinc/08/93/14/959089314.db2.gz TUHJEJKOLFDYKM-JTQLQIEISA-N -1 0 316.335 -0.113 20 0 DBADRM CO[C@@]1(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCOC1 ZINC000160015611 959136575 /nfs/dbraw/zinc/13/65/75/959136575.db2.gz DYOHUILHUVWREU-LLVKDONJSA-N -1 0 304.324 -0.203 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000160149938 959140762 /nfs/dbraw/zinc/14/07/62/959140762.db2.gz ILGSJHNTDCPJOC-NXEZZACHSA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ncn(C)n1 ZINC000392173310 972421214 /nfs/dbraw/zinc/42/12/14/972421214.db2.gz PGGHRJMPBBPYQL-ZETCQYMHSA-N -1 0 314.327 -0.864 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CN1CSCC1=O)C(=O)[O-] ZINC000168790382 959393222 /nfs/dbraw/zinc/39/32/22/959393222.db2.gz PAEGNXZYJRMCEV-SSDOTTSWSA-N -1 0 304.324 -0.958 20 0 DBADRM COc1ccc(N2C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])CC2=O)cc1 ZINC000170572022 959414933 /nfs/dbraw/zinc/41/49/33/959414933.db2.gz SJSOEXWJWQZWKG-SKDRFNHKSA-N -1 0 322.317 -0.390 20 0 DBADRM C[C@H](NC(=O)Cn1cnc(C(N)=O)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573617392 959499673 /nfs/dbraw/zinc/49/96/73/959499673.db2.gz YXYKJKQHVAKOAI-XHNCKOQMSA-N -1 0 323.353 -0.371 20 0 DBADRM CN(C(=O)N1CCSC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000215093789 959747566 /nfs/dbraw/zinc/74/75/66/959747566.db2.gz BLFGJQZIGUGYEB-IUCAKERBSA-N -1 0 322.408 -0.273 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000222560996 959819887 /nfs/dbraw/zinc/81/98/87/959819887.db2.gz WSGXUIKZQDMMRU-ZJUUUORDSA-N -1 0 320.367 -0.841 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC000222569327 959820603 /nfs/dbraw/zinc/82/06/03/959820603.db2.gz YYKGHDCVOBEJQI-AEJSXWLSSA-N -1 0 320.367 -0.841 20 0 DBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCNC(=O)C1 ZINC000223688518 959837478 /nfs/dbraw/zinc/83/74/78/959837478.db2.gz OVZJBIKBIGBSPG-UHFFFAOYSA-N -1 0 314.319 -0.486 20 0 DBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)NCC(=O)N(C)C ZINC000223693182 959837807 /nfs/dbraw/zinc/83/78/07/959837807.db2.gz NPZBMBPBIUTONC-UHFFFAOYSA-N -1 0 316.335 -0.240 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000223701344 959839891 /nfs/dbraw/zinc/83/98/91/959839891.db2.gz SOABLZZTNVAABS-ZETCQYMHSA-N -1 0 316.335 -0.194 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227142824 959922468 /nfs/dbraw/zinc/92/24/68/959922468.db2.gz UDUFYRSLTIFLBY-HLTSFMKQSA-N -1 0 303.384 -0.045 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC(O)(C(C)C)C2)c1C(=O)[O-] ZINC000227253168 959939099 /nfs/dbraw/zinc/93/90/99/959939099.db2.gz JPSSHAONAADCRE-UHFFFAOYSA-N -1 0 303.340 -0.192 20 0 DBADRM O=C([O-])/C=C/c1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000227254831 959940593 /nfs/dbraw/zinc/94/05/93/959940593.db2.gz MUMVQOZNCSCMBV-FCVNMTFCSA-N -1 0 313.331 -0.490 20 0 DBADRM COC[C@@H](CCO)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000228224180 960003666 /nfs/dbraw/zinc/00/36/66/960003666.db2.gz RIWNXDGQILFVHU-LLVKDONJSA-N -1 0 317.363 -0.011 20 0 DBADRM CCc1nnc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)[nH]1 ZINC000392345350 972474841 /nfs/dbraw/zinc/47/48/41/972474841.db2.gz HKGOXAJGAXXERI-UHFFFAOYSA-N -1 0 317.371 -0.502 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000229031264 960053873 /nfs/dbraw/zinc/05/38/73/960053873.db2.gz CSTAUDCEXYOTCR-SECBINFHSA-N -1 0 319.335 -0.321 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000229030493 960054131 /nfs/dbraw/zinc/05/41/31/960054131.db2.gz CEJQOTLMZLHWFQ-QMMMGPOBSA-N -1 0 319.335 -0.321 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000229032614 960054226 /nfs/dbraw/zinc/05/42/26/960054226.db2.gz KAUFCJNHYQZRDG-VIFPVBQESA-N -1 0 319.335 -0.564 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000229030266 960054529 /nfs/dbraw/zinc/05/45/29/960054529.db2.gz MYTUEJPLTJJSKJ-QMMMGPOBSA-N -1 0 307.324 -0.120 20 0 DBADRM O=C([O-])c1ccc(F)cc1S(=O)(=O)N(CCO)CCO ZINC000229771737 960094124 /nfs/dbraw/zinc/09/41/24/960094124.db2.gz ZVZFVVSKLQQZKA-UHFFFAOYSA-N -1 0 307.299 -0.501 20 0 DBADRM COC[C@H](O)CCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000230131799 960128487 /nfs/dbraw/zinc/12/84/87/960128487.db2.gz STIBMIGAXISCGZ-MRVPVSSYSA-N -1 0 306.340 -0.601 20 0 DBADRM COC[C@@H](O)CCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000230131794 960128927 /nfs/dbraw/zinc/12/89/27/960128927.db2.gz STIBMIGAXISCGZ-QMMMGPOBSA-N -1 0 306.340 -0.601 20 0 DBADRM COCC[C@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000230222796 960131529 /nfs/dbraw/zinc/13/15/29/960131529.db2.gz MEXWRNQZFUHMGV-LBPRGKRZSA-N -1 0 320.367 -0.211 20 0 DBADRM Cn1nccc1CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000230771448 960164457 /nfs/dbraw/zinc/16/44/57/960164457.db2.gz SQYALPFNSBEDPB-UHFFFAOYSA-N -1 0 313.339 -0.778 20 0 DBADRM CN(C)S(=O)(=O)CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000231014966 960176550 /nfs/dbraw/zinc/17/65/50/960176550.db2.gz MSNPEOVPKHMXHA-UHFFFAOYSA-N -1 0 318.311 -0.009 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000231024666 960178444 /nfs/dbraw/zinc/17/84/44/960178444.db2.gz WQCNYYGVBZLLAG-UWVGGRQHSA-N -1 0 306.384 -0.115 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000231022309 960178615 /nfs/dbraw/zinc/17/86/15/960178615.db2.gz AWIJDEPWDIKKTR-VIFPVBQESA-N -1 0 307.372 -0.616 20 0 DBADRM CCN(CC(N)=O)S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000231816110 960206200 /nfs/dbraw/zinc/20/62/00/960206200.db2.gz YGFAJWZMKJLZIB-UHFFFAOYSA-N -1 0 316.335 -0.111 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)Cc1ncnn1CC(C)C)C(=O)[O-] ZINC000232650654 960290127 /nfs/dbraw/zinc/29/01/27/960290127.db2.gz SEPPVKSXULUDFI-CHNSCGDPSA-N -1 0 316.383 -0.228 20 0 DBADRM CCCn1ncnc1C[S@@](=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000233398333 960318460 /nfs/dbraw/zinc/31/84/60/960318460.db2.gz ZBQPAGBYPJJXFB-LXGOIASLSA-N -1 0 302.356 -0.474 20 0 DBADRM CCN(CC)C(=O)[C@@H](C)S(=O)(=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000233445301 960321246 /nfs/dbraw/zinc/32/12/46/960321246.db2.gz FZHHHYNFVYWFIF-SCZZXKLOSA-N -1 0 322.383 -0.753 20 0 DBADRM CC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000233984031 960335265 /nfs/dbraw/zinc/33/52/65/960335265.db2.gz VOFUUPUNMHELTO-NRPADANISA-N -1 0 322.383 -0.706 20 0 DBADRM CS(=O)(=O)Cc1ccc(C(=O)NCC[C@H](O)C(=O)[O-])cc1 ZINC000235019258 960381332 /nfs/dbraw/zinc/38/13/32/960381332.db2.gz BXQVEROTTBCACE-NSHDSACASA-N -1 0 315.347 -0.203 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)[C@@H](C)C(=O)NC(C)(C)C)C(=O)[O-] ZINC000235121525 960388546 /nfs/dbraw/zinc/38/85/46/960388546.db2.gz CXZBBKAMURSFCJ-FLXSWFNYSA-N -1 0 306.384 -0.372 20 0 DBADRM C[C@@H]1CN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC000235340919 960414361 /nfs/dbraw/zinc/41/43/61/960414361.db2.gz UIQJBTYGTIFQHP-KXUCPTDWSA-N -1 0 304.368 -0.122 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])s1 ZINC000235969067 960539242 /nfs/dbraw/zinc/53/92/42/960539242.db2.gz MKQRCWQNILUOIS-SSDOTTSWSA-N -1 0 319.364 -0.585 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccoc1Br ZINC000236421183 960572509 /nfs/dbraw/zinc/57/25/09/960572509.db2.gz AMXMHLRSFBTSBP-UHFFFAOYSA-N -1 0 305.084 -0.027 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)CCNC(=O)c1ccsc1 ZINC000236521022 960695988 /nfs/dbraw/zinc/69/59/88/960695988.db2.gz DJKXBAZORGFECC-VIFPVBQESA-N -1 0 300.336 -0.180 20 0 DBADRM O=C([O-])c1cccc(CS(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c1 ZINC000236597083 960713475 /nfs/dbraw/zinc/71/34/75/960713475.db2.gz UTIIXPVCDYCQLQ-QWRGUYRKSA-N -1 0 301.320 -0.748 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001571076783 960961430 /nfs/dbraw/zinc/96/14/30/960961430.db2.gz JQGLSQJXFYUEFS-ZETCQYMHSA-N -1 0 302.308 -0.075 20 0 DBADRM CCN1CC(CCO)(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001485419825 1013217078 /nfs/dbraw/zinc/21/70/78/1013217078.db2.gz UQTZIYRYPLXSRZ-UHFFFAOYSA-N -1 0 305.338 -0.791 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCc2cnc3n2CCOC3)cn1 ZINC001571080520 960999623 /nfs/dbraw/zinc/99/96/23/960999623.db2.gz XDZQTWVSBOLNAB-UHFFFAOYSA-N -1 0 303.278 -0.169 20 0 DBADRM O=C([O-])[C@@H]1CCCN1C(=O)Cn1nc2n(c1=O)CCCCC2 ZINC000238071026 961092121 /nfs/dbraw/zinc/09/21/21/961092121.db2.gz CTJYMVICJYIWAP-JTQLQIEISA-N -1 0 308.338 -0.153 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCC3(COC(=O)N3)CC2)cn1 ZINC001571091342 961101920 /nfs/dbraw/zinc/10/19/20/961101920.db2.gz DQMBORFFXCQLAJ-UHFFFAOYSA-N -1 0 306.278 -0.111 20 0 DBADRM Cc1cn2nc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2c(=O)[nH]1 ZINC001571091576 961104379 /nfs/dbraw/zinc/10/43/79/961104379.db2.gz HKLGXFPCWXHVNI-JTQLQIEISA-N -1 0 306.278 -0.743 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)C1 ZINC001571092945 961129915 /nfs/dbraw/zinc/12/99/15/961129915.db2.gz ZUYMWPOFWPRTQC-XWLWVQCSSA-N -1 0 306.322 -0.604 20 0 DBADRM CN(C)c1nccc(CNC(=O)C(=O)NCCCC(=O)[O-])n1 ZINC001327055952 961141445 /nfs/dbraw/zinc/14/14/45/961141445.db2.gz QKNRTNPHAKPLFE-UHFFFAOYSA-N -1 0 309.326 -0.860 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCOC[C@H]2CC(=O)[O-])C[C@@H](C)O1 ZINC000251689895 961255509 /nfs/dbraw/zinc/25/55/09/961255509.db2.gz NBCLLPUXMISOBY-IJLUTSLNSA-N -1 0 300.355 -0.202 20 0 DBADRM Cn1cnnc1COCC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001571112057 961345065 /nfs/dbraw/zinc/34/50/65/961345065.db2.gz IDTPSQPCMMGMFA-UHFFFAOYSA-N -1 0 312.326 -0.671 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001571123830 961477478 /nfs/dbraw/zinc/47/74/78/961477478.db2.gz UPYQDPPZOJSSKR-NSHDSACASA-N -1 0 314.363 -0.133 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001571129114 961532252 /nfs/dbraw/zinc/53/22/52/961532252.db2.gz YIWWCMWCCMPPET-JTQLQIEISA-N -1 0 316.317 -0.055 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC001571133415 961589595 /nfs/dbraw/zinc/58/95/95/961589595.db2.gz NCZJGPFACZVDEX-ZJUUUORDSA-N -1 0 317.363 -0.344 20 0 DBADRM C[C@](O)(CNC(=O)Cn1cnc2ccccc2c1=O)C(=O)[O-] ZINC000262273880 961610965 /nfs/dbraw/zinc/61/09/65/961610965.db2.gz JBPXXNHFJWXRDU-AWEZNQCLSA-N -1 0 305.290 -0.652 20 0 DBADRM Cn1ncc2cc(C(=O)NCCOCCOCC(=O)[O-])cnc21 ZINC001574472932 961615940 /nfs/dbraw/zinc/61/59/40/961615940.db2.gz RQWROJVANVCUHZ-UHFFFAOYSA-N -1 0 322.321 -0.184 20 0 DBADRM CC(C)(O)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001485567337 1013278067 /nfs/dbraw/zinc/27/80/67/1013278067.db2.gz KHSGVUCCSNJQJQ-SECBINFHSA-N -1 0 311.386 -0.002 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001485573943 1013279238 /nfs/dbraw/zinc/27/92/38/1013279238.db2.gz KGCHCLNXUHWQJQ-IUCAKERBSA-N -1 0 324.385 -0.652 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001574497273 961738481 /nfs/dbraw/zinc/73/84/81/961738481.db2.gz UVCURGHGXKOBAX-LAEOZQHASA-N -1 0 307.310 -0.911 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-] ZINC000262554983 961769375 /nfs/dbraw/zinc/76/93/75/961769375.db2.gz WDSLWAYENPKOPR-GZMMTYOYSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(C)C[C@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001588862769 962007318 /nfs/dbraw/zinc/00/73/18/962007318.db2.gz IWVVVUVSEYXDND-VIFPVBQESA-N -1 0 319.339 -0.427 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCO[C@@H](CCF)C1 ZINC001349958239 962508035 /nfs/dbraw/zinc/50/80/35/962508035.db2.gz KAGHEOQZQPYEKA-AEJSXWLSSA-N -1 0 302.302 -0.447 20 0 DBADRM CN(CCOCCNC(=O)c1ccccn1)Cc1n[nH]c(=O)[n-]1 ZINC001485769637 1013355334 /nfs/dbraw/zinc/35/53/34/1013355334.db2.gz GOLBAAVMVURBCH-UHFFFAOYSA-N -1 0 320.353 -0.216 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)CC(=O)N1CCCCCC1)C(=O)[O-] ZINC000300448449 963009481 /nfs/dbraw/zinc/00/94/81/963009481.db2.gz RXDLIWUDAFONFL-WIUDPPPLSA-N -1 0 318.395 -0.273 20 0 DBADRM COC[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)OC ZINC000300578740 963019916 /nfs/dbraw/zinc/01/99/16/963019916.db2.gz RWZBFJTWBJIZMH-QMMMGPOBSA-N -1 0 306.340 -0.337 20 0 DBADRM CNC(=O)C1(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCOCC1 ZINC001598635617 1017361674 /nfs/dbraw/zinc/36/16/74/1017361674.db2.gz KIWUFCBSIBZNPN-BDAKNGLRSA-N -1 0 300.311 -0.970 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)Nc1sccc1C(=O)[O-] ZINC000311494042 963484424 /nfs/dbraw/zinc/48/44/24/963484424.db2.gz CTFXEEFKFLSSPH-UHFFFAOYSA-N -1 0 307.353 -0.219 20 0 DBADRM COc1ncc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])s1 ZINC000311545351 963489594 /nfs/dbraw/zinc/48/95/94/963489594.db2.gz HVDIUUYUFHPBPK-LURJTMIESA-N -1 0 308.337 -0.374 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)OC ZINC000312295345 963551279 /nfs/dbraw/zinc/55/12/79/963551279.db2.gz VOMBEHVBERNUGV-QMMMGPOBSA-N -1 0 304.324 -0.047 20 0 DBADRM NC(=O)[C@]1(O)CCN(S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000312306865 963552943 /nfs/dbraw/zinc/55/29/43/963552943.db2.gz OUMGBXIJNXBUGC-JTQLQIEISA-N -1 0 320.348 -0.943 20 0 DBADRM Cc1cc(S(=O)(=O)N(CCO)CCO)ccc1C(=O)[O-] ZINC000312799440 963594098 /nfs/dbraw/zinc/59/40/98/963594098.db2.gz QPOXMSCMZGZRHD-UHFFFAOYSA-N -1 0 303.336 -0.331 20 0 DBADRM CCNC(=O)C(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000312863639 963600041 /nfs/dbraw/zinc/60/00/41/963600041.db2.gz XVYVNPBBGYKVID-UHFFFAOYSA-N -1 0 317.367 -0.084 20 0 DBADRM C[C@](O)(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1CC1 ZINC000312945216 963607365 /nfs/dbraw/zinc/60/73/65/963607365.db2.gz HANBUQFVXJNGCS-LBPRGKRZSA-N -1 0 306.384 -0.222 20 0 DBADRM CC1(C)COC[C@@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000313000905 963612163 /nfs/dbraw/zinc/61/21/63/963612163.db2.gz AXOWWFOSMNABTP-VIFPVBQESA-N -1 0 303.340 -0.329 20 0 DBADRM CCN([C@H]1CCOC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000313125165 963620156 /nfs/dbraw/zinc/62/01/56/963620156.db2.gz PNLSGFGKODXRJO-VIFPVBQESA-N -1 0 303.340 -0.233 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000313305495 963636156 /nfs/dbraw/zinc/63/61/56/963636156.db2.gz HTEJVGRIDKKATG-VIFPVBQESA-N -1 0 303.336 -0.251 20 0 DBADRM C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@](C)(CO)C(=O)[O-] ZINC000313507750 963652268 /nfs/dbraw/zinc/65/22/68/963652268.db2.gz MRQIQYPLVRUZDP-KRTXAFLBSA-N -1 0 300.336 -0.182 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])c1 ZINC000313545532 963665326 /nfs/dbraw/zinc/66/53/26/963665326.db2.gz OKVMDSOATLMLAA-GFCCVEGCSA-N -1 0 317.319 -0.413 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@](O)(CO)C2)cc1 ZINC000313676741 963674258 /nfs/dbraw/zinc/67/42/58/963674258.db2.gz KULQGQPICJOWNH-CYBMUJFWSA-N -1 0 315.347 -0.107 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])C1=O ZINC000313933449 963692332 /nfs/dbraw/zinc/69/23/32/963692332.db2.gz NBRYTWJDYWQGLG-RXMQYKEDSA-N -1 0 311.216 -0.598 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000314183739 963721806 /nfs/dbraw/zinc/72/18/06/963721806.db2.gz FBERHWVQXHHSHV-WCQGTBRESA-N -1 0 310.350 -0.176 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000314183735 963721847 /nfs/dbraw/zinc/72/18/47/963721847.db2.gz FBERHWVQXHHSHV-JLLWLGSASA-N -1 0 310.350 -0.176 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccn(-c2ccccc2)n1 ZINC000314269772 963733633 /nfs/dbraw/zinc/73/36/33/963733633.db2.gz UNMGZQHSDFFTOI-UHFFFAOYSA-N -1 0 302.290 -0.197 20 0 DBADRM CNC(=O)CC(=O)N[C@@H](CCC(=O)[O-])C(=O)OC(C)(C)C ZINC001598639969 1017363478 /nfs/dbraw/zinc/36/34/78/1017363478.db2.gz OXSZKYJRCRSYPH-QMMMGPOBSA-N -1 0 302.327 -0.186 20 0 DBADRM CC(=O)N1CCC(N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CC1 ZINC000314340959 963743056 /nfs/dbraw/zinc/74/30/56/963743056.db2.gz HITWXTYOQKFRAB-LBPRGKRZSA-N -1 0 318.395 -0.429 20 0 DBADRM CCN(CC)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000314467868 963758079 /nfs/dbraw/zinc/75/80/79/963758079.db2.gz NIJKJLBTBPNFBQ-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000314735244 963800947 /nfs/dbraw/zinc/80/09/47/963800947.db2.gz GWNJWHYMHXEMEN-JTQLQIEISA-N -1 0 317.319 -0.495 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598639734 1017364074 /nfs/dbraw/zinc/36/40/74/1017364074.db2.gz VGOYGTAUEWQKNJ-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCN(C(=O)NCCOCC(=O)[O-])C1 ZINC000315149706 963861587 /nfs/dbraw/zinc/86/15/87/963861587.db2.gz XCDXYAQYQLINDT-SNVBAGLBSA-N -1 0 322.383 -0.446 20 0 DBADRM O=C(CN1C(=O)CNC1=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000315291589 963875728 /nfs/dbraw/zinc/87/57/28/963875728.db2.gz DJYXMZUTIJJKFO-JTQLQIEISA-N -1 0 305.290 -0.477 20 0 DBADRM COc1ccc(O)c(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000315373357 963891547 /nfs/dbraw/zinc/89/15/47/963891547.db2.gz JNPYRMDYSMXFJP-JTQLQIEISA-N -1 0 308.290 -0.184 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC000315399953 963895627 /nfs/dbraw/zinc/89/56/27/963895627.db2.gz LUWNDZFZFQQLMS-QWRGUYRKSA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000315438429 963901043 /nfs/dbraw/zinc/90/10/43/963901043.db2.gz QEFICDJJHKDHKL-ZYHUDNBSSA-N -1 0 304.302 -0.208 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000315438423 963901135 /nfs/dbraw/zinc/90/11/35/963901135.db2.gz QEFICDJJHKDHKL-CMPLNLGQSA-N -1 0 304.302 -0.208 20 0 DBADRM O=C([O-])c1ccccc1CCNC(=O)CN1C(=O)CNC1=O ZINC000315494106 963909227 /nfs/dbraw/zinc/90/92/27/963909227.db2.gz XJNFVRWYBFOJEB-UHFFFAOYSA-N -1 0 305.290 -0.405 20 0 DBADRM CCn1ccc(=O)n(CC(=O)N2CCC(C(=O)[O-])CC2)c1=O ZINC000315938185 963955525 /nfs/dbraw/zinc/95/55/25/963955525.db2.gz YGXQALIITZPLBU-UHFFFAOYSA-N -1 0 309.322 -0.647 20 0 DBADRM CC1(C)C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000316008785 963965219 /nfs/dbraw/zinc/96/52/19/963965219.db2.gz RRLLJSHCDXBPLA-UHFFFAOYSA-N -1 0 303.296 -0.728 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC000316228635 963992321 /nfs/dbraw/zinc/99/23/21/963992321.db2.gz SJKUWXUGOLWEIZ-LLVKDONJSA-N -1 0 315.370 -0.855 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCO[C@@H]3CCC[C@@H]32)nn1 ZINC000316513436 964021245 /nfs/dbraw/zinc/02/12/45/964021245.db2.gz YHGUDMKXIQKHBK-WDEREUQCSA-N -1 0 309.326 -0.061 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)N2C[C@@H](O)[C@H](CO)C2)cc1 ZINC000316706672 964045933 /nfs/dbraw/zinc/04/59/33/964045933.db2.gz QUOGRRCALZJJSI-QWHCGFSZSA-N -1 0 308.334 -0.078 20 0 DBADRM CCNC(=O)c1ccc(NCCn2cc(C(=O)[O-])nn2)nn1 ZINC000316787425 964055169 /nfs/dbraw/zinc/05/51/69/964055169.db2.gz UXPAKGAARPKUQB-UHFFFAOYSA-N -1 0 305.298 -0.372 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CCO1 ZINC001598638859 1017365039 /nfs/dbraw/zinc/36/50/39/1017365039.db2.gz NFFQTFDTJOFESE-SFNBMPIDSA-N -1 0 310.350 -0.005 20 0 DBADRM Cc1ccnc2nc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)nn21 ZINC000316985289 964083430 /nfs/dbraw/zinc/08/34/30/964083430.db2.gz OWCKAJDFABCMAG-SECBINFHSA-N -1 0 305.294 -0.252 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2cc(C(=O)[O-])oc2C)CC1 ZINC001598644519 1017365556 /nfs/dbraw/zinc/36/55/56/1017365556.db2.gz FCEUEWJLNVGHLQ-UHFFFAOYSA-N -1 0 309.322 -0.210 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001598642482 1017366574 /nfs/dbraw/zinc/36/65/74/1017366574.db2.gz QSAQGLBJVVCENL-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM Cc1nscc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001485990791 1013519485 /nfs/dbraw/zinc/51/94/85/1013519485.db2.gz WQMQUXVYGFSXFI-ZETCQYMHSA-N -1 0 312.355 -0.844 20 0 DBADRM CC(C)(C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C1CCC1 ZINC001486021684 1013575805 /nfs/dbraw/zinc/57/58/05/1013575805.db2.gz YFPMDESRGHMAQA-SNVBAGLBSA-N -1 0 311.386 -0.097 20 0 DBADRM CNC(=O)[C@@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)C(C)C ZINC001598655553 1017372682 /nfs/dbraw/zinc/37/26/82/1017372682.db2.gz CBONFDMUOKTVEE-JTQLQIEISA-N -1 0 315.351 -0.171 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H]1CC12CCCC2 ZINC001486050591 1013628077 /nfs/dbraw/zinc/62/80/77/1013628077.db2.gz HXVYJBAVCAICKT-VHSXEESVSA-N -1 0 309.370 -0.343 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H](OC)[C@@H]1CCOC1)C(=O)[O-] ZINC001598855815 1017449299 /nfs/dbraw/zinc/44/92/99/1017449299.db2.gz OBGZXGLSWXTMNQ-KKZNHRDASA-N -1 0 303.311 -0.440 20 0 DBADRM COC1(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])CS(=O)(=O)C1 ZINC001599065006 1017502229 /nfs/dbraw/zinc/50/22/29/1017502229.db2.gz RTWVXTMTGXXHLL-RXMQYKEDSA-N -1 0 319.257 -0.678 20 0 DBADRM CS[C@H](CO)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001599786658 1017630908 /nfs/dbraw/zinc/63/09/08/1017630908.db2.gz DOMVRJOFCXAFIB-CAHLUQPWSA-N -1 0 309.369 -0.501 20 0 DBADRM COCCOCCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001599251291 1017572762 /nfs/dbraw/zinc/57/27/62/1017572762.db2.gz BIQLYALIDJZSQT-YTWAJWBKSA-N -1 0 307.368 -0.322 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC(NC(=O)N(C)C)CC1 ZINC001604450332 1018382987 /nfs/dbraw/zinc/38/29/87/1018382987.db2.gz GMPXWLQPXBBUSJ-ZDUSSCGKSA-N -1 0 301.343 -0.262 20 0 DBADRM CN1CCN(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC000035838762 967506058 /nfs/dbraw/zinc/50/60/58/967506058.db2.gz AFLNZGPJPBRFEJ-UHFFFAOYSA-N -1 0 305.400 -0.144 20 0 DBADRM O=C([O-])C[C@@H]1CCCCN1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000038027854 967516088 /nfs/dbraw/zinc/51/60/88/967516088.db2.gz ZRCHDZHKXAYNDG-MNOVXSKESA-N -1 0 318.395 -0.381 20 0 DBADRM CCN(CC(=O)OC)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000044414938 967527313 /nfs/dbraw/zinc/52/73/13/967527313.db2.gz RFGRNMJOTUULJU-UHFFFAOYSA-N -1 0 308.356 -0.477 20 0 DBADRM CC[C@H]1C(=O)NCCN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001605150591 1018538001 /nfs/dbraw/zinc/53/80/01/1018538001.db2.gz MTLLXTVUTXJSPW-UTLUCORTSA-N -1 0 304.368 -0.220 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC000090276728 967587636 /nfs/dbraw/zinc/58/76/36/967587636.db2.gz HTLYZLUSPUVZKY-GFCCVEGCSA-N -1 0 316.335 -0.840 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc1OC ZINC000090276712 967588679 /nfs/dbraw/zinc/58/86/79/967588679.db2.gz MWOXWZISQLAPTO-GFCCVEGCSA-N -1 0 319.335 -0.182 20 0 DBADRM C[C@@H](CN(C)C(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000111774601 967611506 /nfs/dbraw/zinc/61/15/06/967611506.db2.gz VIQCNVBFLBFBJJ-QMMMGPOBSA-N -1 0 309.388 -0.324 20 0 DBADRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(=O)[nH]n1 ZINC000170565667 967681224 /nfs/dbraw/zinc/68/12/24/967681224.db2.gz MQCNAEKBJFWWIG-NSHDSACASA-N -1 0 303.274 -0.099 20 0 DBADRM CNc1nnc(CC(=O)N[C@H](CC(=O)[O-])C(=O)OC)s1 ZINC001606315917 1018809010 /nfs/dbraw/zinc/80/90/10/1018809010.db2.gz ZBWSLEDEMIWZKX-RXMQYKEDSA-N -1 0 302.312 -0.745 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000250809164 967792188 /nfs/dbraw/zinc/79/21/88/967792188.db2.gz SSDRZTRNIVYDNZ-JOYOIKCWSA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])C[C@H]1CCCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000251099853 967793451 /nfs/dbraw/zinc/79/34/51/967793451.db2.gz JVACGICAHSFRHR-MNOVXSKESA-N -1 0 318.395 -0.524 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263174016 967858098 /nfs/dbraw/zinc/85/80/98/967858098.db2.gz JQTXHKZSVJAJGH-VHSXEESVSA-N -1 0 306.384 -0.020 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)CS(C)(=O)=O)C1 ZINC000315109062 967972008 /nfs/dbraw/zinc/97/20/08/967972008.db2.gz ISDKIMBKZJANQU-CABZTGNLSA-N -1 0 322.383 -0.448 20 0 DBADRM COC(=O)CSCCC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001606474674 1018846962 /nfs/dbraw/zinc/84/69/62/1018846962.db2.gz KXEUKVPHXDKGEN-LBPRGKRZSA-N -1 0 319.379 -0.033 20 0 DBADRM COC(=O)C[C@@H](OC(=O)C[C@H]1CCOC[C@@H]1OC)C(=O)[O-] ZINC001606476878 1018847232 /nfs/dbraw/zinc/84/72/32/1018847232.db2.gz OTPWPVJSJCHAEP-BBBLOLIVSA-N -1 0 304.295 -0.013 20 0 DBADRM CC(C)C[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)C(=O)[O-] ZINC000380363695 968081112 /nfs/dbraw/zinc/08/11/12/968081112.db2.gz OLYWOEPTOIIGAD-VIFPVBQESA-N -1 0 309.388 -0.755 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=S)NCCCC(=O)[O-])CC1 ZINC001607372821 1018995373 /nfs/dbraw/zinc/99/53/73/1018995373.db2.gz BMNWAXYNUMUPJH-UHFFFAOYSA-N -1 0 323.440 -0.261 20 0 DBADRM CCc1nnc(C)cc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000396633405 968229270 /nfs/dbraw/zinc/22/92/70/968229270.db2.gz GQEUTMPCQJXCQS-UHFFFAOYSA-N -1 0 306.322 -0.284 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC000396999926 968234573 /nfs/dbraw/zinc/23/45/73/968234573.db2.gz ABGJHOPSLSZWHS-HBNTYKKESA-N -1 0 318.395 -0.115 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC001609787880 1019563623 /nfs/dbraw/zinc/56/36/23/1019563623.db2.gz FMXOUIADFHFXSG-SECBINFHSA-N -1 0 304.368 -0.754 20 0 DBADRM O=C([O-])CC1(NC(=O)C2=COCC2)CCS(=O)(=O)CC1 ZINC001610756025 1019730146 /nfs/dbraw/zinc/73/01/46/1019730146.db2.gz GBOIFEIJGGGNGS-UHFFFAOYSA-N -1 0 303.336 -0.171 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1CCNC(=O)CC1 ZINC001610883809 1019743924 /nfs/dbraw/zinc/74/39/24/1019743924.db2.gz SGHXBMQEYYQQBT-UHFFFAOYSA-N -1 0 305.337 -0.648 20 0 DBADRM COCCN(CCNC(=O)c1ccco1)Cc1n[nH]c(=O)[n-]1 ZINC001486425511 1013837927 /nfs/dbraw/zinc/83/79/27/1013837927.db2.gz CQILGYPVVSQDKX-UHFFFAOYSA-N -1 0 309.326 -0.018 20 0 DBADRM CC(C)CC(=O)NC[C@H](C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001486787145 1013881672 /nfs/dbraw/zinc/88/16/72/1013881672.db2.gz FLACTCREXDHUDK-VIFPVBQESA-N -1 0 313.358 -0.302 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001596181354 1017117438 /nfs/dbraw/zinc/11/74/38/1017117438.db2.gz QXLSBGIVMZKNCZ-ONGXEEELSA-N -1 0 315.370 -0.280 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCO[C@@H](CC(N)=O)C1)C(=O)[O-] ZINC001590798261 1021580712 /nfs/dbraw/zinc/58/07/12/1021580712.db2.gz PCDHQQXFTBXZEE-QMMMGPOBSA-N -1 0 308.356 -0.997 20 0 DBADRM C/C=C(/C)C(=O)N(C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001486940748 1013905105 /nfs/dbraw/zinc/90/51/05/1013905105.db2.gz MIUOFRMPRCXATH-GRKOMRHMSA-N -1 0 309.326 -0.174 20 0 DBADRM C[C@]1(CC(=O)Nc2cc(C(=O)[O-])n[nH]2)CCS(=O)(=O)N1 ZINC001573619758 969823378 /nfs/dbraw/zinc/82/33/78/969823378.db2.gz JHIXCUAZXBCWNC-SNVBAGLBSA-N -1 0 302.312 -0.482 20 0 DBADRM C[C@H](CNC(=O)C(C)(C)C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001486993334 1013920102 /nfs/dbraw/zinc/92/01/02/1013920102.db2.gz UFPKBFFTYTZNDG-MRVPVSSYSA-N -1 0 313.358 -0.302 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CCO)(NC(=O)C(F)F)C2)c1[O-] ZINC001487014877 1013924799 /nfs/dbraw/zinc/92/47/99/1013924799.db2.gz ORTZWMRCPQHENS-UHFFFAOYSA-N -1 0 318.280 -0.618 20 0 DBADRM CCC(=O)N1CC([C@@H](C)NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001487195109 1013957229 /nfs/dbraw/zinc/95/72/29/1013957229.db2.gz PGZKVMPOJUTLAG-MRVPVSSYSA-N -1 0 323.353 -0.412 20 0 DBADRM CCN(CC(=O)OC)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001596228065 1017120130 /nfs/dbraw/zinc/12/01/30/1017120130.db2.gz BYWFXCIMXAMDET-UHFFFAOYSA-N -1 0 302.308 -0.037 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)C1 ZINC001594888262 970272661 /nfs/dbraw/zinc/27/26/61/970272661.db2.gz AVRWYMHGNRYHDE-SECBINFHSA-N -1 0 322.277 -0.871 20 0 DBADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000317074081 970323949 /nfs/dbraw/zinc/32/39/49/970323949.db2.gz HBDYAJCZRIYZJR-VIFPVBQESA-N -1 0 311.338 -0.112 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)CN1C(=O)CNC1=O ZINC000317126222 970330537 /nfs/dbraw/zinc/33/05/37/970330537.db2.gz HSNWUQVODVZGBZ-UHFFFAOYSA-N -1 0 305.290 -0.518 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@H]2CNC(=O)C2)c1 ZINC001606556022 970341522 /nfs/dbraw/zinc/34/15/22/970341522.db2.gz RGZVXWYCOJDZIK-MRVPVSSYSA-N -1 0 305.290 -0.424 20 0 DBADRM COCCn1nc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)ccc1=O ZINC000317425507 970357819 /nfs/dbraw/zinc/35/78/19/970357819.db2.gz KYXONCIWNYITOR-VHSXEESVSA-N -1 0 309.322 -0.175 20 0 DBADRM COCCn1nc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)ccc1=O ZINC000317425501 970358162 /nfs/dbraw/zinc/35/81/62/970358162.db2.gz KYXONCIWNYITOR-NXEZZACHSA-N -1 0 309.322 -0.175 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1=O ZINC000317780476 970387153 /nfs/dbraw/zinc/38/71/53/970387153.db2.gz XHHWAQWTMNYWNG-IUCAKERBSA-N -1 0 313.310 -0.981 20 0 DBADRM Cc1n[nH]c(C(=O)NCCOCCN(C)C(=O)C(F)F)c1[O-] ZINC001487579968 1014006068 /nfs/dbraw/zinc/00/60/68/1014006068.db2.gz HDVAOPWLQVVZQA-UHFFFAOYSA-N -1 0 320.296 -0.106 20 0 DBADRM COC(=O)C(C)(C)CNC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000319596168 970551198 /nfs/dbraw/zinc/55/11/98/970551198.db2.gz VFYCPCSRHJLDHG-UHFFFAOYSA-N -1 0 313.314 -0.525 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000319722607 970565872 /nfs/dbraw/zinc/56/58/72/970565872.db2.gz PVHUYDKLMXNUMY-LLVKDONJSA-N -1 0 320.261 -0.044 20 0 DBADRM COc1cc(NC(=O)NCCn2cc(C(=O)[O-])nn2)nn1C ZINC000320006094 970601148 /nfs/dbraw/zinc/60/11/48/970601148.db2.gz ZPNSNYOORYUVSH-UHFFFAOYSA-N -1 0 309.286 -0.460 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](CNC(=O)C1CC1)C1CC1 ZINC001487669967 1014015597 /nfs/dbraw/zinc/01/55/97/1014015597.db2.gz WQXYJRALRGMMII-SECBINFHSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H](CN(C)C(=O)C1CC1)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001487690765 1014017478 /nfs/dbraw/zinc/01/74/78/1014017478.db2.gz YZPUCRCAXUSXMV-MRVPVSSYSA-N -1 0 323.353 -0.412 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc(-n2cncn2)nc1)C(=O)[O-] ZINC000320616127 970686263 /nfs/dbraw/zinc/68/62/63/970686263.db2.gz BHJPDSQAZJPHRC-VIFPVBQESA-N -1 0 319.277 -0.592 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H](C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001487856875 1014045024 /nfs/dbraw/zinc/04/50/24/1014045024.db2.gz VDGHBTHYVQZCOQ-IUCAKERBSA-N -1 0 313.358 -0.302 20 0 DBADRM O=C([O-])Cc1sccc1C(=O)NCC(=O)N1CCOCC1 ZINC000393484456 972603003 /nfs/dbraw/zinc/60/30/03/972603003.db2.gz DTGUAPRCQCSRGG-UHFFFAOYSA-N -1 0 312.347 -0.036 20 0 DBADRM CN(c1ccnc(C(=O)[O-])n1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000394309525 972699327 /nfs/dbraw/zinc/69/93/27/972699327.db2.gz ZEVXLCNEXRCAAB-MRVPVSSYSA-N -1 0 300.340 -0.355 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC[C@H](O)CC2)cn1 ZINC000394426681 972713334 /nfs/dbraw/zinc/71/33/34/972713334.db2.gz ACJLIVXFBIYHJX-VIFPVBQESA-N -1 0 303.340 -0.497 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NC[C@H]1CN2CCN1CCC2 ZINC000394662212 972732408 /nfs/dbraw/zinc/73/24/08/972732408.db2.gz AEALMFPIYNGYEA-NSHDSACASA-N -1 0 305.400 -0.840 20 0 DBADRM CC(=O)NCCCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000394781660 972757209 /nfs/dbraw/zinc/75/72/09/972757209.db2.gz ZMEKJWPASJAZGA-UHFFFAOYSA-N -1 0 315.351 -0.030 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)Cn2c(=O)oc3ccccc32)C1 ZINC000395443866 972799209 /nfs/dbraw/zinc/79/92/09/972799209.db2.gz WCFNDLUQLFGOQA-AWEZNQCLSA-N -1 0 306.274 -0.358 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])C[C@H]1O ZINC000395827589 972835537 /nfs/dbraw/zinc/83/55/37/972835537.db2.gz SXPBAOIMVSQHRL-PHDIDXHHSA-N -1 0 308.337 -0.779 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1CC[C@@H]1CCNC1=O ZINC000395949972 972842122 /nfs/dbraw/zinc/84/21/22/972842122.db2.gz YDWCVFVBAZOJIN-UWVGGRQHSA-N -1 0 304.368 -0.914 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C[C@H]1O ZINC000395970844 972844171 /nfs/dbraw/zinc/84/41/71/972844171.db2.gz MMSIHEAWWVZCLJ-RKDXNWHRSA-N -1 0 302.308 -0.840 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])oc2C)C[C@H]1O ZINC000396002513 972845053 /nfs/dbraw/zinc/84/50/53/972845053.db2.gz YCVAWRSOBRKVEU-VXNVDRBHSA-N -1 0 305.308 -0.334 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC000396883878 972948937 /nfs/dbraw/zinc/94/89/37/972948937.db2.gz MRYPDWIEXUVALB-SFYZADRCSA-N -1 0 321.376 -0.190 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC000396905355 972950082 /nfs/dbraw/zinc/95/00/82/972950082.db2.gz YYUKLYNKHUIDRZ-RQJHMYQMSA-N -1 0 322.364 -0.795 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000396905354 972950121 /nfs/dbraw/zinc/95/01/21/972950121.db2.gz YYUKLYNKHUIDRZ-RNFRBKRXSA-N -1 0 322.364 -0.795 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC000397367612 972993772 /nfs/dbraw/zinc/99/37/72/972993772.db2.gz DGEQSJDBELZZJU-VHSXEESVSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H]1CSC[C@@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000397971972 973045371 /nfs/dbraw/zinc/04/53/71/973045371.db2.gz ICHRMNTWVKOWGE-APPZFPTMSA-N -1 0 305.381 -0.003 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC000398233751 973087981 /nfs/dbraw/zinc/08/79/81/973087981.db2.gz KCHYHTOBVSAAAD-SECBINFHSA-N -1 0 317.319 -0.413 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000398235544 973088763 /nfs/dbraw/zinc/08/87/63/973088763.db2.gz LJRCZVRDVLLWMA-SNVBAGLBSA-N -1 0 318.307 -0.150 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)N1CCc2ccccc2C1 ZINC000398252691 973092990 /nfs/dbraw/zinc/09/29/90/973092990.db2.gz XNVJJBQDOZVBEM-GFCCVEGCSA-N -1 0 314.363 -0.285 20 0 DBADRM CSc1nc(=O)[nH]c(C)c1C(=O)NC[C@H](O)CC(=O)[O-] ZINC000398271246 973099330 /nfs/dbraw/zinc/09/93/30/973099330.db2.gz QFNGTUPALWBGDM-ZCFIWIBFSA-N -1 0 301.324 -0.222 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NC[C@@H]1CNC(=O)C1 ZINC000398327165 973118614 /nfs/dbraw/zinc/11/86/14/973118614.db2.gz BCDXLSXNLNSDIC-YFKPBYRVSA-N -1 0 305.337 -0.744 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CNC(=O)C2)cc1F ZINC000398374695 973129990 /nfs/dbraw/zinc/12/99/90/973129990.db2.gz RPCXYNAQZHZDJY-ZETCQYMHSA-N -1 0 316.310 -0.062 20 0 DBADRM O=C([O-])c1csc(S(=O)(=O)NC[C@@H]2CNC(=O)C2)c1 ZINC000398395375 973133452 /nfs/dbraw/zinc/13/34/52/973133452.db2.gz KVXACLKVHLDHIB-LURJTMIESA-N -1 0 304.349 -0.139 20 0 DBADRM CNC(=O)[C@H]1CCN(S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000398595193 973156970 /nfs/dbraw/zinc/15/69/70/973156970.db2.gz UFOWDNYUIJKTJU-LURJTMIESA-N -1 0 319.364 -0.402 20 0 DBADRM C[C@@H](CCCCO)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000398812007 973172995 /nfs/dbraw/zinc/17/29/95/973172995.db2.gz YJJLHQVQELHALU-VIFPVBQESA-N -1 0 305.356 -0.203 20 0 DBADRM C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000398955852 973185190 /nfs/dbraw/zinc/18/51/90/973185190.db2.gz PFNVWFGVYMGIIT-FWCARGHBSA-N -1 0 310.353 -0.240 20 0 DBADRM Cn1ncc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1C(F)(F)F ZINC001571130650 1025850392 /nfs/dbraw/zinc/85/03/92/1025850392.db2.gz HOOPMUWTWKAYSH-BYPYZUCNSA-N -1 0 317.245 -0.837 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC000401310558 973354220 /nfs/dbraw/zinc/35/42/20/973354220.db2.gz XALGUMAYWYSLBK-MRVPVSSYSA-N -1 0 309.388 -0.612 20 0 DBADRM CC(C)(CNC(=O)Cn1ccc(C(=O)[O-])n1)S(C)(=O)=O ZINC001571080295 1025814134 /nfs/dbraw/zinc/81/41/34/1025814134.db2.gz PUYOWDABFRWXPC-UHFFFAOYSA-N -1 0 303.340 -0.479 20 0 DBADRM CS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])C[C@H](O)C2)nc1 ZINC000401774438 973384305 /nfs/dbraw/zinc/38/43/05/973384305.db2.gz BXTZKNOISUNBSI-BDAKNGLRSA-N -1 0 300.336 -0.243 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401781203 973387724 /nfs/dbraw/zinc/38/77/24/973387724.db2.gz HLOSHYCQWPHUQT-UWVGGRQHSA-N -1 0 315.370 -0.232 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401819805 973419103 /nfs/dbraw/zinc/41/91/03/973419103.db2.gz JVDXVMPMWGTDMH-VHSXEESVSA-N -1 0 301.343 -0.668 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(S(=O)(=O)c2cccnc2F)C1 ZINC000401835759 973434123 /nfs/dbraw/zinc/43/41/23/973434123.db2.gz PXIBFVMJYRVOJC-YUMQZZPRSA-N -1 0 304.299 -0.323 20 0 DBADRM Cc1ccnc2nc(C(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)nn21 ZINC000401839737 973438430 /nfs/dbraw/zinc/43/84/30/973438430.db2.gz SKGQFLMVFQBGSZ-BDAKNGLRSA-N -1 0 305.294 -0.660 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1cnn(C)n1 ZINC001596326659 1017124818 /nfs/dbraw/zinc/12/48/18/1017124818.db2.gz JTZZFXLKNGQUSE-NWDGAFQWSA-N -1 0 309.370 -0.136 20 0 DBADRM CC(C)S(=O)(=O)CCNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401844250 973443460 /nfs/dbraw/zinc/44/34/60/973443460.db2.gz WBFLFMDTPVUOCY-UWVGGRQHSA-N -1 0 322.383 -0.713 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1 ZINC000401845625 973444890 /nfs/dbraw/zinc/44/48/90/973444890.db2.gz ARCLQIQXCBHAJC-NEPJUHHUSA-N -1 0 321.333 -0.238 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000401868376 973470005 /nfs/dbraw/zinc/47/00/05/973470005.db2.gz WMYVHVKOWXXZAN-BDAKNGLRSA-N -1 0 310.331 -0.097 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000401868381 973470290 /nfs/dbraw/zinc/47/02/90/973470290.db2.gz WMYVHVKOWXXZAN-IUCAKERBSA-N -1 0 310.331 -0.097 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000401906791 973517087 /nfs/dbraw/zinc/51/70/87/973517087.db2.gz UKDZSFQWOGRZCO-LMLFDSFASA-N -1 0 322.383 -0.892 20 0 DBADRM C[S@](=O)C1(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC000401907281 973517869 /nfs/dbraw/zinc/51/78/69/973517869.db2.gz IKTHMGKICXWYLX-FRUKKLPWSA-N -1 0 304.368 -0.626 20 0 DBADRM C[C@@]1(C(=O)[O-])CN(C(=O)CC2SC(=N)NC2=O)CCO1 ZINC001573602254 1026599369 /nfs/dbraw/zinc/59/93/69/1026599369.db2.gz UHOXMJLBLJJJQE-KGFZYKRKSA-N -1 0 301.324 -0.755 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(Cc2nnnn2-c2ccccc2)C1 ZINC000401940349 973546810 /nfs/dbraw/zinc/54/68/10/973546810.db2.gz FQTZYVSUFZDKPE-PWSUYJOCSA-N -1 0 303.322 -0.070 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC000401939089 973547105 /nfs/dbraw/zinc/54/71/05/973547105.db2.gz NYHVZUBDYWQVEZ-UTUOFQBUSA-N -1 0 320.349 -0.261 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(Cc2nnnn2-c2ccccc2)C1 ZINC000401940348 973547232 /nfs/dbraw/zinc/54/72/32/973547232.db2.gz FQTZYVSUFZDKPE-JQWIXIFHSA-N -1 0 303.322 -0.070 20 0 DBADRM C[C@@H]1CCCCN1S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401969877 973576205 /nfs/dbraw/zinc/57/62/05/973576205.db2.gz KLLFBPLQCFTJJB-GMTAPVOTSA-N -1 0 306.384 -0.127 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(S(=O)(=O)c2cncc(F)c2)C1 ZINC000401971077 973577353 /nfs/dbraw/zinc/57/73/53/973577353.db2.gz MLMILOUARQMTPB-APPZFPTMSA-N -1 0 304.299 -0.323 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401975248 973583407 /nfs/dbraw/zinc/58/34/07/973583407.db2.gz SLZBJZCKCJACIY-DTWKUNHWSA-N -1 0 309.340 -0.963 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401975956 973585120 /nfs/dbraw/zinc/58/51/20/973585120.db2.gz ULICKGFTHSOXHN-IUCAKERBSA-N -1 0 303.340 -0.517 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CC[C@@H](c2n[nH]cc2C(=O)[O-])C1 ZINC001573807619 1026638162 /nfs/dbraw/zinc/63/81/62/1026638162.db2.gz QDENHONNFJGFDE-MRVPVSSYSA-N -1 0 315.351 -0.142 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NCC[C@]2(O)CCOC2)c1 ZINC000403120299 973661630 /nfs/dbraw/zinc/66/16/30/973661630.db2.gz LZPIMLHFUKHGQA-LBPRGKRZSA-N -1 0 316.335 -0.400 20 0 DBADRM CCn1cc(CNC(=O)NCCn2cc(C(=O)[O-])nn2)nn1 ZINC000404423635 973725985 /nfs/dbraw/zinc/72/59/85/973725985.db2.gz VURXMNFIOCVMKV-UHFFFAOYSA-N -1 0 308.302 -0.913 20 0 DBADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)NCC(=O)N1CCOCC1 ZINC000405221855 973790019 /nfs/dbraw/zinc/79/00/19/973790019.db2.gz QXNPJUIZCHWEJJ-WDEREUQCSA-N -1 0 313.354 -0.212 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC=CC1 ZINC001526820327 1014143851 /nfs/dbraw/zinc/14/38/51/1014143851.db2.gz BQOAXWMPTMXFOU-ZETCQYMHSA-N -1 0 307.310 -0.517 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NCCN2CCCC2=O)c1 ZINC000405491328 973890405 /nfs/dbraw/zinc/89/04/05/973890405.db2.gz OQJAXABCMWNWMU-UHFFFAOYSA-N -1 0 313.335 -0.320 20 0 DBADRM C[C@@H](CNC(=O)CCCF)NC(=O)c1cnc([O-])n(C)c1=O ZINC001526880384 1014149390 /nfs/dbraw/zinc/14/93/90/1014149390.db2.gz ROQXYHRLXANVAX-QMMMGPOBSA-N -1 0 314.317 -0.530 20 0 DBADRM CC(C)(CCNC(=O)NCCN1CCCS1(=O)=O)C(=O)[O-] ZINC000406035526 973915180 /nfs/dbraw/zinc/91/51/80/973915180.db2.gz LWVRVDMBVDPLED-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1ncccn1 ZINC001596333517 1017128707 /nfs/dbraw/zinc/12/87/07/1017128707.db2.gz RMUKLMWEOSANMB-UWVGGRQHSA-N -1 0 306.322 -0.224 20 0 DBADRM COC[C@](C)(CC(=O)OC)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000519781262 974335026 /nfs/dbraw/zinc/33/50/26/974335026.db2.gz WIOVAIKVBGYIIT-RWEMILLDSA-N -1 0 303.311 -0.297 20 0 DBADRM C/C=C(/C)C(=O)NC[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001527231669 1014204320 /nfs/dbraw/zinc/20/43/20/1014204320.db2.gz KLHLGJHUUQZYBP-BNFOFFDWSA-N -1 0 323.353 -0.380 20 0 DBADRM O=C(CC1CC1)NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001527225381 1014205999 /nfs/dbraw/zinc/20/59/99/1014205999.db2.gz TXMGNISRCHAMRC-SECBINFHSA-N -1 0 321.337 -0.339 20 0 DBADRM CCN(CCNCc1ncnn1CC)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596339668 1017130607 /nfs/dbraw/zinc/13/06/07/1017130607.db2.gz NYVUYTMNMFWDOT-QWRGUYRKSA-N -1 0 309.370 -0.043 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000585867821 974961535 /nfs/dbraw/zinc/96/15/35/974961535.db2.gz KSOFAYTVLFAWDQ-SECBINFHSA-N -1 0 311.685 -0.509 20 0 DBADRM CC(C)OC[C@H](CO)N(C)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001591717971 975623557 /nfs/dbraw/zinc/62/35/57/975623557.db2.gz KMDZVPGEUFOVMQ-JTQLQIEISA-N -1 0 309.384 -0.101 20 0 DBADRM CC(C)OCCCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001591720196 975648874 /nfs/dbraw/zinc/64/88/74/975648874.db2.gz XXGNUMBSEFCCBC-SNVBAGLBSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)OCC[C@@H](O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC001591720271 975650684 /nfs/dbraw/zinc/65/06/84/975650684.db2.gz ZBZPMWBIXWUHJU-SNVBAGLBSA-N -1 0 324.337 -0.146 20 0 DBADRM CC(C)OC[C@H](CO)N(C)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001591720346 975652165 /nfs/dbraw/zinc/65/21/65/975652165.db2.gz MNZUYUAVIVPEJQ-DCAQKATOSA-N -1 0 316.354 -0.790 20 0 DBADRM CC(C)OCCCNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001591722723 975666055 /nfs/dbraw/zinc/66/60/55/975666055.db2.gz LLPPPBPQKAYVIK-WDEREUQCSA-N -1 0 316.354 -0.788 20 0 DBADRM CC(C)OCCCNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001591722720 975666501 /nfs/dbraw/zinc/66/65/01/975666501.db2.gz LLPPPBPQKAYVIK-GHMZBOCLSA-N -1 0 316.354 -0.788 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(F)F ZINC001527676858 1014279132 /nfs/dbraw/zinc/27/91/32/1014279132.db2.gz HYNBMRXKMSEFIT-SCSAIBSYSA-N -1 0 305.241 -0.828 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)Cn2cccn2)c1[O-] ZINC001527919290 1014312999 /nfs/dbraw/zinc/31/29/99/1014312999.db2.gz RQRSXKHUMSCMJH-UHFFFAOYSA-N -1 0 306.326 -0.491 20 0 DBADRM Cc1ccn(CC(=O)N(C)CCNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001528042510 1014343304 /nfs/dbraw/zinc/34/33/04/1014343304.db2.gz RPHGXRVVAZYPLL-UHFFFAOYSA-N -1 0 320.353 -0.183 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)CCn2cncn2)c1[O-] ZINC001528042865 1014343887 /nfs/dbraw/zinc/34/38/87/1014343887.db2.gz VWAZVPBMXNRDEF-UHFFFAOYSA-N -1 0 321.341 -0.706 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)CCn2ccnc2)c1[O-] ZINC001528451375 1014416155 /nfs/dbraw/zinc/41/61/55/1014416155.db2.gz HJHUJJGSTDILDY-UHFFFAOYSA-N -1 0 320.353 -0.101 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1COC(=O)N1 ZINC001052353092 977707081 /nfs/dbraw/zinc/70/70/81/977707081.db2.gz XYPRLXDKXGYMET-BDAKNGLRSA-N -1 0 324.341 -0.911 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001052642431 977787744 /nfs/dbraw/zinc/78/77/44/977787744.db2.gz YQIIORVWTFSACU-DCQANWLSSA-N -1 0 321.381 -0.127 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001052792065 977815219 /nfs/dbraw/zinc/81/52/19/977815219.db2.gz LAMQUAWBHGSIEQ-VIFPVBQESA-N -1 0 320.357 -0.577 20 0 DBADRM Cn1ncc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001052792064 977816340 /nfs/dbraw/zinc/81/63/40/977816340.db2.gz LAMQUAWBHGSIEQ-SECBINFHSA-N -1 0 320.357 -0.577 20 0 DBADRM O=C(Cn1cncn1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052918006 977836330 /nfs/dbraw/zinc/83/63/30/977836330.db2.gz LOOAOGAHWNIWSZ-SNVBAGLBSA-N -1 0 320.357 -0.727 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052975938 977845489 /nfs/dbraw/zinc/84/54/89/977845489.db2.gz LLXORCDNCMTSEW-VIFPVBQESA-N -1 0 321.341 -0.014 20 0 DBADRM CC(C)C(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001053075661 977849327 /nfs/dbraw/zinc/84/93/27/977849327.db2.gz UOABJTXLRDMPRJ-RKDXNWHRSA-N -1 0 323.353 -0.237 20 0 DBADRM CCCC(=O)NC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001053075313 977849396 /nfs/dbraw/zinc/84/93/96/977849396.db2.gz SQRAECUPEOVZCI-IUCAKERBSA-N -1 0 323.353 -0.093 20 0 DBADRM CN(CCNC(=O)[C@]1(C)C=CCC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001528527706 1014432239 /nfs/dbraw/zinc/43/22/39/1014432239.db2.gz LPABUTCYYQVBGM-CQSZACIVSA-N -1 0 323.353 -0.380 20 0 DBADRM O=C([C@@H]1CCCO1)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053147299 977863360 /nfs/dbraw/zinc/86/33/60/977863360.db2.gz OXPMPQCQQVKULD-JTQLQIEISA-N -1 0 323.353 -0.898 20 0 DBADRM CC[C@H](C)C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053164792 977868826 /nfs/dbraw/zinc/86/88/26/977868826.db2.gz CFVMFHXAMJRVQN-JTQLQIEISA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(c1cocn1)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053187292 977876434 /nfs/dbraw/zinc/87/64/34/977876434.db2.gz JKJNLXXWENCLHN-UHFFFAOYSA-N -1 0 320.309 -0.775 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053223090 977884322 /nfs/dbraw/zinc/88/43/22/977884322.db2.gz VHAMKTSLHFZYOB-SNVBAGLBSA-N -1 0 321.381 -0.030 20 0 DBADRM CC1(C(=O)N2CCOC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)CC1 ZINC001053268500 977898795 /nfs/dbraw/zinc/89/87/95/977898795.db2.gz MJQYOHYOEOTEBX-UHFFFAOYSA-N -1 0 307.354 -0.276 20 0 DBADRM CC[C@H](F)C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053375242 977943697 /nfs/dbraw/zinc/94/36/97/977943697.db2.gz BZYWORKTOUZYCL-VIFPVBQESA-N -1 0 313.333 -0.328 20 0 DBADRM CCCN1CC2(C1)CN(C(=O)Cn1c(=O)[n-][nH]c1=O)CCO2 ZINC001053519186 977982962 /nfs/dbraw/zinc/98/29/62/977982962.db2.gz NRQXCBSODAVNML-UHFFFAOYSA-N -1 0 311.342 -0.988 20 0 DBADRM CCN1CC2(C1)CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)O2 ZINC001053627134 978013737 /nfs/dbraw/zinc/01/37/37/978013737.db2.gz ONQIJUQIDRQVDF-QMMMGPOBSA-N -1 0 309.326 -0.734 20 0 DBADRM COCCN(CCNC(=O)COC)C(=O)c1n[nH]c(C)c1[O-] ZINC001488528288 1014454652 /nfs/dbraw/zinc/45/46/52/1014454652.db2.gz QIDQOWQFWMCPJG-UHFFFAOYSA-N -1 0 314.342 -0.725 20 0 DBADRM CC(C)CN1CC2(C1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053859018 978119228 /nfs/dbraw/zinc/11/92/28/978119228.db2.gz YAHATIUWOCVKBD-VIFPVBQESA-N -1 0 323.353 -0.488 20 0 DBADRM Cc1cnccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001174537033 978157153 /nfs/dbraw/zinc/15/71/53/978157153.db2.gz SHEYGKGEGYXFTD-UHFFFAOYSA-N -1 0 312.311 -0.599 20 0 DBADRM CN1CCn2c(C[N-]C(=O)C(F)(F)C(F)F)nnc2C1=O ZINC001528817776 1014480909 /nfs/dbraw/zinc/48/09/09/1014480909.db2.gz MIYRKLQATORCID-UHFFFAOYSA-N -1 0 309.223 -0.120 20 0 DBADRM COCC1(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)CC1 ZINC001488644838 1014493183 /nfs/dbraw/zinc/49/31/83/1014493183.db2.gz ZFAQQMMESMUDNE-SNVBAGLBSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1cc(-n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)c(C)o1 ZINC001210279470 978506591 /nfs/dbraw/zinc/50/65/91/978506591.db2.gz UDOWYYJFWHHYIQ-UHFFFAOYSA-N -1 0 315.311 -0.092 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001488668449 1014500507 /nfs/dbraw/zinc/50/05/07/1014500507.db2.gz CGCVXICFSQHESP-SNVBAGLBSA-N -1 0 324.385 -0.542 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001488668447 1014501989 /nfs/dbraw/zinc/50/19/89/1014501989.db2.gz CGCVXICFSQHESP-JTQLQIEISA-N -1 0 324.385 -0.542 20 0 DBADRM CC[C@H](F)C(=O)NCCN(CC)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001529008239 1014502788 /nfs/dbraw/zinc/50/27/88/1014502788.db2.gz GNIQOEZZURTTIP-QMMMGPOBSA-N -1 0 317.321 -0.598 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H](C)SC ZINC001211911072 978592059 /nfs/dbraw/zinc/59/20/59/978592059.db2.gz BNFOATVMUKOFGZ-DJLDLDEBSA-N -1 0 315.399 -0.423 20 0 DBADRM Cc1ncc(-n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)s1 ZINC001212128019 978623586 /nfs/dbraw/zinc/62/35/86/978623586.db2.gz DKBGNNSXDMUDHD-UHFFFAOYSA-N -1 0 318.340 -0.537 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)Cc1cccc(C(=O)OC)c1 ZINC001213912952 978698633 /nfs/dbraw/zinc/69/86/33/978698633.db2.gz QIMHIFYYMXJQNQ-UHFFFAOYSA-N -1 0 316.335 -0.430 20 0 DBADRM COC(=O)/C=C/[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC001214069682 978708623 /nfs/dbraw/zinc/70/86/23/978708623.db2.gz KPAMHQPSYKLSGI-KPJROHGDSA-N -1 0 318.307 -0.143 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)Cn2cccc(N)c2=O)[n-]1 ZINC001218527262 978827624 /nfs/dbraw/zinc/82/76/24/978827624.db2.gz HEPNFMUKLRABOL-UHFFFAOYSA-N -1 0 305.294 -0.031 20 0 DBADRM O=C(Nc1nc[n-]c(=O)c1Br)[C@@H]1CNC(=O)N1 ZINC001218680233 978844618 /nfs/dbraw/zinc/84/46/18/978844618.db2.gz SZMXJKIHLUPBPH-VKHMYHEASA-N -1 0 302.088 -0.435 20 0 DBADRM [NH3+][C@@H](Cc1nnn[n-]1)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC001218851285 978855392 /nfs/dbraw/zinc/85/53/92/978855392.db2.gz LNKMVVVDNMUULG-ZETCQYMHSA-N -1 0 303.282 -0.961 20 0 DBADRM C[C@H](C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC1 ZINC001488728465 1014535875 /nfs/dbraw/zinc/53/58/75/1014535875.db2.gz GKZXLVWUIYERQL-RQJHMYQMSA-N -1 0 309.326 -0.294 20 0 DBADRM CC(=O)N[C@H](C)C[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001488727930 1014536685 /nfs/dbraw/zinc/53/66/85/1014536685.db2.gz YYPURDSZXQMJFD-RKDXNWHRSA-N -1 0 320.353 -0.509 20 0 DBADRM C[C@H](CC(F)F)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220030001 979073048 /nfs/dbraw/zinc/07/30/48/979073048.db2.gz SMQMCMVDAFJHCH-PRJMDXOYSA-N -1 0 319.312 -0.537 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1(CCF)CC1 ZINC001220056937 979080053 /nfs/dbraw/zinc/08/00/53/979080053.db2.gz MKUPBXOGKUORKC-BDAKNGLRSA-N -1 0 313.333 -0.689 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cnc(CN)s1 ZINC001220105011 979097826 /nfs/dbraw/zinc/09/78/26/979097826.db2.gz RSLMIHUGCMWIJC-LURJTMIESA-N -1 0 301.324 -0.262 20 0 DBADRM N=C(NC(=O)C(N)C(F)(F)F)SCCS(=O)(=O)[O-] ZINC001220127472 979105806 /nfs/dbraw/zinc/10/58/06/979105806.db2.gz WOZAWMRKLWBKOI-GSVOUGTGSA-N -1 0 309.291 -0.452 20 0 DBADRM O=C(NCCOP(=O)([O-])[O-])[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220221195 979140154 /nfs/dbraw/zinc/14/01/54/979140154.db2.gz UWRXKKVZTPMBAE-WDEREUQCSA-N -1 0 321.314 -0.714 20 0 DBADRM CCOC(=O)C1([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])C[NH2+]C1 ZINC001220851130 979305448 /nfs/dbraw/zinc/30/54/48/979305448.db2.gz IUNMTBQSRLQTGB-UHFFFAOYSA-N -1 0 316.207 -0.637 20 0 DBADRM CCC(C)(CC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001221018281 979352693 /nfs/dbraw/zinc/35/26/93/979352693.db2.gz ZZSPUTHBLSXSEE-ZJUUUORDSA-N -1 0 311.386 -0.002 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221736773 979457225 /nfs/dbraw/zinc/45/72/25/979457225.db2.gz DQDILFMDZRMDCB-OPRDCNLKSA-N -1 0 322.369 -0.946 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OCc1cnccn1 ZINC001222475051 979515089 /nfs/dbraw/zinc/51/50/89/979515089.db2.gz MOEMFRZPSNRHOA-LBPRGKRZSA-N -1 0 317.367 -0.418 20 0 DBADRM CCNC(=O)CC(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001222919895 979530545 /nfs/dbraw/zinc/53/05/45/979530545.db2.gz DTHULDSONIYTOA-UHFFFAOYSA-N -1 0 324.385 -0.635 20 0 DBADRM Cn1ccnc1CO[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001222938064 979532219 /nfs/dbraw/zinc/53/22/19/979532219.db2.gz BMVZPICZACYERA-LLVKDONJSA-N -1 0 319.383 -0.475 20 0 DBADRM NC(=O)C1(C(=O)NCC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001224276757 979563467 /nfs/dbraw/zinc/56/34/67/979563467.db2.gz IVHWTBUASLNVOT-UHFFFAOYSA-N -1 0 322.369 -0.896 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1=O ZINC001596401295 1017137487 /nfs/dbraw/zinc/13/74/87/1017137487.db2.gz ATPBSHOYHNHNIE-KXUCPTDWSA-N -1 0 304.368 -0.268 20 0 DBADRM O=C([O-])CC[C@@H](O)C(=O)OCc1nc(-c2cnccn2)no1 ZINC001224253588 979565580 /nfs/dbraw/zinc/56/55/80/979565580.db2.gz BFKCXAUPXJGOQX-MRVPVSSYSA-N -1 0 308.250 -0.205 20 0 DBADRM C[NH+]1CCC(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])CC1 ZINC001224454181 979572499 /nfs/dbraw/zinc/57/24/99/979572499.db2.gz OFYPPSXSARZAPL-KOLCDFICSA-N -1 0 303.311 -0.592 20 0 DBADRM O=C([O-])C[C@H](C(=O)OCCC[NH+]1CCCCC1)[C@@H](O)C(=O)[O-] ZINC001224861273 979587632 /nfs/dbraw/zinc/58/76/32/979587632.db2.gz VPQCNMNAMCNBIG-CMPLNLGQSA-N -1 0 317.338 -0.058 20 0 DBADRM Cc1ccc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])nn1 ZINC001225641077 979600823 /nfs/dbraw/zinc/60/08/23/979600823.db2.gz YPUCLQLYDWVAAB-NSHDSACASA-N -1 0 317.367 -0.248 20 0 DBADRM O=c1cc[nH]c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001225605128 979601727 /nfs/dbraw/zinc/60/17/27/979601727.db2.gz QTCHZJMWAVJHFX-LLVKDONJSA-N -1 0 318.351 -0.245 20 0 DBADRM COC(=O)c1cc(=O)[n-]c(OC2CCS(=O)(=O)CC2)n1 ZINC001225732075 979602782 /nfs/dbraw/zinc/60/27/82/979602782.db2.gz CBNFQBIIFMEVEE-UHFFFAOYSA-N -1 0 302.308 -0.075 20 0 DBADRM C[C@H](Oc1c([O-])c(=O)c(=O)c1=O)C(=O)OCc1ccccc1 ZINC001225831078 979607752 /nfs/dbraw/zinc/60/77/52/979607752.db2.gz QXAUNUTVQZLNKP-QMMMGPOBSA-N -1 0 304.254 -0.141 20 0 DBADRM CCOC(=O)[C@H](C)[C@H](Oc1c([O-])c(=O)c(=O)c1=O)C(F)(F)F ZINC001225833401 979608287 /nfs/dbraw/zinc/60/82/87/979608287.db2.gz LLRRHIUIIQRXAS-KNODYTOMSA-N -1 0 324.207 -0.143 20 0 DBADRM COC(=O)c1ncc2n1CCC[C@@H]2Oc1c([O-])c(=O)c(=O)c1=O ZINC001225832838 979608571 /nfs/dbraw/zinc/60/85/71/979608571.db2.gz RSIZDPDRRXFPDJ-ZETCQYMHSA-N -1 0 320.257 -0.755 20 0 DBADRM CCOC(=O)C(F)(F)[C@H](CC)Oc1c([O-])c(=O)c(=O)c1=O ZINC001225833041 979608605 /nfs/dbraw/zinc/60/86/05/979608605.db2.gz JXTJWPIVZVBKNG-YFKPBYRVSA-N -1 0 306.217 -0.296 20 0 DBADRM O=C(CNC(=O)C1CC1)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001226252743 979626965 /nfs/dbraw/zinc/62/69/65/979626965.db2.gz QQBZFQSFUVVPFG-UHFFFAOYSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1cc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n[nH]1 ZINC001226667010 979640975 /nfs/dbraw/zinc/64/09/75/979640975.db2.gz KHJYBONOKQCFQB-SNVBAGLBSA-N -1 0 305.356 -0.314 20 0 DBADRM Cc1cnnc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001226719361 979646137 /nfs/dbraw/zinc/64/61/37/979646137.db2.gz YINUSUAZPSHXIT-LLVKDONJSA-N -1 0 317.367 -0.248 20 0 DBADRM COC(=O)CN1C[C@@H](Oc2nc3ncnc-3c(S)[n-]2)CC1=O ZINC001226786874 979648268 /nfs/dbraw/zinc/64/82/68/979648268.db2.gz SXINSXGQDQWYKD-LURJTMIESA-N -1 0 323.334 -0.206 20 0 DBADRM CC(=O)OC[C@H](COc1[n-]c(=O)nc2nc[nH]c21)OC(C)=O ZINC001227070022 979658629 /nfs/dbraw/zinc/65/86/29/979658629.db2.gz LIFIDNRPCURWKQ-MRVPVSSYSA-N -1 0 310.266 -0.068 20 0 DBADRM CC[C@@H](CNC(=O)Nc1ncn(CC(=O)N(C)C)n1)C(=O)[O-] ZINC001595154260 979658931 /nfs/dbraw/zinc/65/89/31/979658931.db2.gz MTTWAKPUDYUYML-QMMMGPOBSA-N -1 0 312.330 -0.401 20 0 DBADRM CC[C@@H](CNC(=O)c1cn(C)nn1)Nc1ccnc(C(=O)[O-])n1 ZINC001595162925 979690904 /nfs/dbraw/zinc/69/09/04/979690904.db2.gz FBSOZIITQOBFKM-QMMMGPOBSA-N -1 0 319.325 -0.654 20 0 DBADRM O=C([O-])CCCNS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001326704966 979758289 /nfs/dbraw/zinc/75/82/89/979758289.db2.gz QKENLQKMXCBAMF-SECBINFHSA-N -1 0 313.397 -0.405 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001326818321 979771265 /nfs/dbraw/zinc/77/12/65/979771265.db2.gz TWTCGUZHSGKKPJ-NWDGAFQWSA-N -1 0 316.354 -0.477 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1cccn(C)c1=O)C(=O)[O-] ZINC001326845624 979773242 /nfs/dbraw/zinc/77/32/42/979773242.db2.gz JKVGMQXDQLMBKQ-VIFPVBQESA-N -1 0 309.322 -0.203 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1cccc(OC)c1 ZINC001326948757 979780795 /nfs/dbraw/zinc/78/07/95/979780795.db2.gz PIBILJMIHYCUHO-UHFFFAOYSA-N -1 0 323.349 -0.462 20 0 DBADRM COCCNC(=O)CN1CCN(c2ncccc2C(=O)[O-])CC1 ZINC001326970882 979785238 /nfs/dbraw/zinc/78/52/38/979785238.db2.gz LIFPHPKLIZPZIH-UHFFFAOYSA-N -1 0 322.365 -0.336 20 0 DBADRM COCCn1cc(CNC(=O)C(=O)NCCCC(=O)[O-])cn1 ZINC001327055075 979788060 /nfs/dbraw/zinc/78/80/60/979788060.db2.gz KLPFNGPQTPJAMK-UHFFFAOYSA-N -1 0 312.326 -0.873 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001327207069 979797693 /nfs/dbraw/zinc/79/76/93/979797693.db2.gz YTMPPEPGPVXNQI-SECBINFHSA-N -1 0 321.337 -0.245 20 0 DBADRM COCCN(CC(F)F)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001331061328 979852518 /nfs/dbraw/zinc/85/25/18/979852518.db2.gz IJWVDUZNPWAVOH-OCAPTIKFSA-N -1 0 308.281 -0.294 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc3n[nH]nc3n2)C1=O ZINC001331171774 979864986 /nfs/dbraw/zinc/86/49/86/979864986.db2.gz ZICYPYPYQOLMCQ-GFCCVEGCSA-N -1 0 303.282 -0.282 20 0 DBADRM CO[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC001331510178 979884561 /nfs/dbraw/zinc/88/45/61/979884561.db2.gz SOFYYAYQDBZMQC-JTQLQIEISA-N -1 0 312.244 -0.243 20 0 DBADRM CN(C)c1cccc(CNC(=O)C(=O)[N-]OC2CCOCC2)n1 ZINC001342913585 979911359 /nfs/dbraw/zinc/91/13/59/979911359.db2.gz MPWRISANFXENKL-UHFFFAOYSA-N -1 0 322.365 -0.009 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@@]2(C1)CCCOC2 ZINC001344826951 980014477 /nfs/dbraw/zinc/01/44/77/980014477.db2.gz NKEHFUHEFLBMLX-CYBMUJFWSA-N -1 0 310.358 -0.252 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC001344829144 980014811 /nfs/dbraw/zinc/01/48/11/980014811.db2.gz GNBGKUQCRPQBLR-UHFFFAOYSA-N -1 0 301.387 -0.083 20 0 DBADRM COc1cc(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)ccn1 ZINC001344930171 980020804 /nfs/dbraw/zinc/02/08/04/980020804.db2.gz JMEOVRUOCVZMCE-LLVKDONJSA-N -1 0 309.322 -0.209 20 0 DBADRM O=C(CCCNC(=O)C(=O)[N-]OC1CCOCC1)NC1CC1 ZINC001345202415 980038060 /nfs/dbraw/zinc/03/80/60/980038060.db2.gz WXFBJPXBRIZPNH-UHFFFAOYSA-N -1 0 313.354 -0.612 20 0 DBADRM CCN1CC[C@H]1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001596414324 1017138722 /nfs/dbraw/zinc/13/87/22/1017138722.db2.gz CCCARUTUUDZNHM-WFASDCNBSA-N -1 0 311.382 -0.532 20 0 DBADRM CC(C)(C)n1ncnc1CNC(=O)C(=O)NCCCC(=O)[O-] ZINC001345989473 980107539 /nfs/dbraw/zinc/10/75/39/980107539.db2.gz MEQUDJLVARGYFI-UHFFFAOYSA-N -1 0 311.342 -0.370 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC001346370694 980135794 /nfs/dbraw/zinc/13/57/94/980135794.db2.gz NUUZETNKFMDRKW-RKDXNWHRSA-N -1 0 301.343 -0.758 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)c1cncc(F)c1 ZINC001346397795 980139529 /nfs/dbraw/zinc/13/95/29/980139529.db2.gz VKNUCWIOPXSXHD-QMMMGPOBSA-N -1 0 312.301 -0.418 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CCO)CC(C)(C)C ZINC001346415965 980141154 /nfs/dbraw/zinc/14/11/54/980141154.db2.gz RVFWPXFTVJFBBE-UHFFFAOYSA-N -1 0 303.359 -0.963 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](c2ccco2)C1 ZINC001346415970 980141524 /nfs/dbraw/zinc/14/15/24/980141524.db2.gz RXCCEZGHRAQXQU-JTQLQIEISA-N -1 0 309.322 -0.221 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCSC(C)(C)CC1 ZINC001346413602 980142026 /nfs/dbraw/zinc/14/20/26/980142026.db2.gz DFBFZAIFTZVXST-UHFFFAOYSA-N -1 0 317.411 -0.086 20 0 DBADRM COCCOCCS(=O)(=O)NCc1nocc1C(=O)[O-] ZINC001346540139 980150944 /nfs/dbraw/zinc/15/09/44/980150944.db2.gz IOHBEOLPWQZXTL-UHFFFAOYSA-N -1 0 308.312 -0.545 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001346577004 980157061 /nfs/dbraw/zinc/15/70/61/980157061.db2.gz JDDTWZMDLJCXSO-VIFPVBQESA-N -1 0 317.367 -0.503 20 0 DBADRM COCCO[C@@H]1CCCN(c2nnc(-c3nn[nH]n3)n2C)C1 ZINC001346791566 980170104 /nfs/dbraw/zinc/17/01/04/980170104.db2.gz RDGVQNZJNBQQKZ-SECBINFHSA-N -1 0 308.346 -0.373 20 0 DBADRM COCCCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001347046994 980191301 /nfs/dbraw/zinc/19/13/01/980191301.db2.gz RDPFPWAOCGRDIG-UHFFFAOYSA-N -1 0 312.326 -0.206 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC001347103697 980199044 /nfs/dbraw/zinc/19/90/44/980199044.db2.gz BQFBNJKZKXTCTA-GXFFZTMASA-N -1 0 318.395 -0.149 20 0 DBADRM CN1CCC[C@H](C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)C1=O ZINC001347307435 980213243 /nfs/dbraw/zinc/21/32/43/980213243.db2.gz SETNODMIZKKJBB-QWRGUYRKSA-N -1 0 306.370 -0.151 20 0 DBADRM Cc1nn(C)c2cc(NC(=O)C(=O)[N-]OCC(N)=O)ccc12 ZINC001347454200 980221649 /nfs/dbraw/zinc/22/16/49/980221649.db2.gz NEEAJQVNKKEYOJ-UHFFFAOYSA-N -1 0 305.294 -0.647 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C1=O ZINC001347552034 980231683 /nfs/dbraw/zinc/23/16/83/980231683.db2.gz STWWMAXMYDXTSW-MRVPVSSYSA-N -1 0 300.340 -0.988 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC001347566614 980232891 /nfs/dbraw/zinc/23/28/91/980232891.db2.gz UCRAZLZMMSTLAR-UHFFFAOYSA-N -1 0 322.383 -0.846 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H](OC)C1CCCC1 ZINC001347653565 980238877 /nfs/dbraw/zinc/23/88/77/980238877.db2.gz ZXBHKXUUIZHPEH-NSHDSACASA-N -1 0 315.370 -0.508 20 0 DBADRM O=C(c1nc2ncccn2n1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001347762972 980248196 /nfs/dbraw/zinc/24/81/96/980248196.db2.gz MOBMBJPDFMOYDG-QMMMGPOBSA-N -1 0 314.309 -0.032 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001595279553 980320857 /nfs/dbraw/zinc/32/08/57/980320857.db2.gz SBZPVDFTEBMNMD-MNOVXSKESA-N -1 0 315.370 -0.367 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001595279589 980321034 /nfs/dbraw/zinc/32/10/34/980321034.db2.gz SONBQLXKXFEYBC-OUAUKWLOSA-N -1 0 314.338 -0.234 20 0 DBADRM CC(C)OCC(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001348590894 980325439 /nfs/dbraw/zinc/32/54/39/980325439.db2.gz GLFHKYZCYKHUFF-UHFFFAOYSA-N -1 0 321.337 -0.706 20 0 DBADRM CC(C)(C)/C=C\C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001348648436 980340085 /nfs/dbraw/zinc/34/00/85/980340085.db2.gz ODRUHQQCQOKKHA-PLNGDYQASA-N -1 0 309.326 -0.269 20 0 DBADRM C/C=C(\C)C(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001348745036 980356802 /nfs/dbraw/zinc/35/68/02/980356802.db2.gz ICOLANCDYDGPLO-YCRREMRBSA-N -1 0 303.322 -0.165 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001349354963 980458489 /nfs/dbraw/zinc/45/84/89/980458489.db2.gz KKRSGENOKXUQGL-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)nn1 ZINC001349572449 980487724 /nfs/dbraw/zinc/48/77/24/980487724.db2.gz JRDDIAYWLVRWIK-UHFFFAOYSA-N -1 0 323.353 -0.104 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)Cc1ccc(C(N)=O)cc1 ZINC001349674488 980496518 /nfs/dbraw/zinc/49/65/18/980496518.db2.gz OPEKZKXTXATHNL-UHFFFAOYSA-N -1 0 308.338 -0.005 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC001349753039 980505350 /nfs/dbraw/zinc/50/53/50/980505350.db2.gz JVBCJKQQRRNDBB-QWRGUYRKSA-N -1 0 314.386 -0.889 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCC(C)(C)N1CCOCC1)C(=O)[O-] ZINC001349841634 980517165 /nfs/dbraw/zinc/51/71/65/980517165.db2.gz VWHWHVCBEPTZKU-SNVBAGLBSA-N -1 0 315.370 -0.950 20 0 DBADRM CCN1C[C@@H](C)N(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[C@@H]1C ZINC001349959504 980527605 /nfs/dbraw/zinc/52/76/05/980527605.db2.gz XHVJGZXPPWPCSR-WHOHXGKFSA-N -1 0 311.382 -0.093 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(F)F)CC1)C(=O)[O-] ZINC001349952688 980527649 /nfs/dbraw/zinc/52/76/49/980527649.db2.gz UJYJWXFOVIJEKS-HTQZYQBOSA-N -1 0 308.281 -0.294 20 0 DBADRM CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001349969698 980529355 /nfs/dbraw/zinc/52/93/55/980529355.db2.gz DFEZHHJVTQRTOD-IJLUTSLNSA-N -1 0 311.382 -0.236 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NCCCNC(=O)c1cn(C)nn1 ZINC001349979849 980530788 /nfs/dbraw/zinc/53/07/88/980530788.db2.gz RLYQHQUYNJDKBZ-UHFFFAOYSA-N -1 0 319.325 -0.831 20 0 DBADRM CCC(O)(CC)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001595325346 980532027 /nfs/dbraw/zinc/53/20/27/980532027.db2.gz URCWVIJQZGRQIG-SNVBAGLBSA-N -1 0 300.355 -0.023 20 0 DBADRM NC(=O)C1CN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC001350171260 980544665 /nfs/dbraw/zinc/54/46/65/980544665.db2.gz GVDJQHWWSWSFIJ-UHFFFAOYSA-N -1 0 318.358 -0.371 20 0 DBADRM O=C(C[C@@H]1CCS(=O)(=O)C1)[N-]S(=O)(=O)C1(Cl)CC1 ZINC001350280324 980556532 /nfs/dbraw/zinc/55/65/32/980556532.db2.gz IKTPEMJPPRDAOR-ZETCQYMHSA-N -1 0 315.800 -0.014 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)NCCCC(=O)[O-])[C@H]1CCOC1 ZINC001350331590 980561249 /nfs/dbraw/zinc/56/12/49/980561249.db2.gz LJDQMEMWVUHSPN-UWVGGRQHSA-N -1 0 302.327 -0.865 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001350423694 980571587 /nfs/dbraw/zinc/57/15/87/980571587.db2.gz PISHUCSHRTYLFR-MFKMUULPSA-N -1 0 323.393 -0.092 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N2CCSC[C@@H]2C(=O)[O-])nn1 ZINC001595332657 980580933 /nfs/dbraw/zinc/58/09/33/980580933.db2.gz YPFBQSOIFKKOHF-PSASIEDQSA-N -1 0 314.367 -0.309 20 0 DBADRM CC[C@@H](OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C(=O)OC ZINC001595340437 980618300 /nfs/dbraw/zinc/61/83/00/980618300.db2.gz OPQCBZDOVDVJBQ-RKDXNWHRSA-N -1 0 301.295 -0.196 20 0 DBADRM CCC(=O)NCc1nc(CNCC(=O)NCC2CC2)cc(=O)[nH]1 ZINC001489071071 1014671439 /nfs/dbraw/zinc/67/14/39/1014671439.db2.gz QWUPDNVIUFCGPS-UHFFFAOYSA-N -1 0 321.381 -0.176 20 0 DBADRM O=C(NOCCN1CCCC1=O)c1c[n-]n2c1nccc2=O ZINC001351095772 980624080 /nfs/dbraw/zinc/62/40/80/980624080.db2.gz UAVWXIMWDQZFJL-UHFFFAOYSA-N -1 0 305.294 -0.694 20 0 DBADRM O=C(CNCc1cc(=O)[nH]c(CNC(=O)C2CC2)n1)N1CCC1 ZINC001489070992 1014671994 /nfs/dbraw/zinc/67/19/94/1014671994.db2.gz BXBKMKDDRIQLLU-UHFFFAOYSA-N -1 0 319.365 -0.470 20 0 DBADRM CC[C@@H](C)C(=O)NCCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001351253589 980637095 /nfs/dbraw/zinc/63/70/95/980637095.db2.gz WNTRHKBSQRNCGF-SECBINFHSA-N -1 0 313.358 -0.300 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NC[C@H]1CCCN1CC(F)F ZINC001351547023 980665001 /nfs/dbraw/zinc/66/50/01/980665001.db2.gz WSGRJAPWAMJIPY-SECBINFHSA-N -1 0 321.324 -0.187 20 0 DBADRM COCC1(C)CCN(C(=O)C(=O)NCC(=O)[N-]OC)CC1 ZINC001351648260 980678688 /nfs/dbraw/zinc/67/86/88/980678688.db2.gz XPNXDBYCXWZVIR-UHFFFAOYSA-N -1 0 301.343 -0.945 20 0 DBADRM CCN(CCCNC(C)=O)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001351991545 980704616 /nfs/dbraw/zinc/70/46/16/980704616.db2.gz MBKHKBDFVHKWGK-UHFFFAOYSA-N -1 0 320.353 -0.554 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1cc2n(n1)CCN(C)C2 ZINC001352184311 980713581 /nfs/dbraw/zinc/71/35/81/980713581.db2.gz ADWWLLQZNMNYNK-UHFFFAOYSA-N -1 0 311.342 -0.649 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCO[C@](C)(C(F)F)C1 ZINC001352609542 980734900 /nfs/dbraw/zinc/73/49/00/980734900.db2.gz PMTHADAVPLBPFA-JTQLQIEISA-N -1 0 306.273 -0.789 20 0 DBADRM C/C=C(\C)C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001352795058 980749900 /nfs/dbraw/zinc/74/99/00/980749900.db2.gz FPUFWPHOARXXFK-IPQKIJNHSA-N -1 0 309.326 -0.627 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001353138341 980781623 /nfs/dbraw/zinc/78/16/23/980781623.db2.gz CQYAEDJGHBANPF-XXFSISAASA-N -1 0 309.322 -0.899 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001353923087 980826376 /nfs/dbraw/zinc/82/63/76/980826376.db2.gz UFTLPRYFNQHTOF-VXGBXAGGSA-N -1 0 316.398 -0.115 20 0 DBADRM CCOCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001354026451 980828653 /nfs/dbraw/zinc/82/86/53/980828653.db2.gz DTOVJAJVRKVDAS-UHFFFAOYSA-N -1 0 303.359 -0.549 20 0 DBADRM C[C@@H](CNC(=O)C[C@@H]1C=CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001354236833 980839070 /nfs/dbraw/zinc/83/90/70/980839070.db2.gz SMUPZXPWYDGBDL-DTWKUNHWSA-N -1 0 321.337 -0.126 20 0 DBADRM CCNC(=O)CC(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001354345954 980845436 /nfs/dbraw/zinc/84/54/36/980845436.db2.gz JLTGFDDVSKDNCZ-SSDOTTSWSA-N -1 0 311.342 -0.816 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)Cc1ccccc1C ZINC001354419053 980850127 /nfs/dbraw/zinc/85/01/27/980850127.db2.gz FNTMIJJYEDCEHG-NSHDSACASA-N -1 0 307.350 -0.164 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)/C=C/C1CC1 ZINC001354605360 980862474 /nfs/dbraw/zinc/86/24/74/980862474.db2.gz ZLUPHXFGWOXCOV-ZJELKQJVSA-N -1 0 309.326 -0.724 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)/C=C\C1CC1 ZINC001354605358 980862504 /nfs/dbraw/zinc/86/25/04/980862504.db2.gz ZLUPHXFGWOXCOV-PULIVWKDSA-N -1 0 309.326 -0.724 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001354879320 980876291 /nfs/dbraw/zinc/87/62/91/980876291.db2.gz FNRNJAMHOMATJR-SFYZADRCSA-N -1 0 314.260 -0.093 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC[C@H]1CCC(F)(F)C1 ZINC001354970321 980880615 /nfs/dbraw/zinc/88/06/15/980880615.db2.gz VDBXVJHYSNRGAI-MRVPVSSYSA-N -1 0 307.297 -0.278 20 0 DBADRM CCO[C@H]1C[C@@H](N(C)C(=O)C(=O)NCC(=O)[N-]OC)C1(C)C ZINC001354968344 980880685 /nfs/dbraw/zinc/88/06/85/980880685.db2.gz NPFCPKNWGJSLDU-ZJUUUORDSA-N -1 0 315.370 -0.558 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H]1c1cccc(F)c1 ZINC001354967239 980881049 /nfs/dbraw/zinc/88/10/49/980881049.db2.gz JYCLVENIUPURBX-NSHDSACASA-N -1 0 309.297 -0.107 20 0 DBADRM CC/C(C)=C/C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001355772783 980909234 /nfs/dbraw/zinc/90/92/34/980909234.db2.gz BUVZGXOSZNZCSK-BQYQJAHWSA-N -1 0 309.326 -0.173 20 0 DBADRM COC[C@H]1CCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001357185944 981040125 /nfs/dbraw/zinc/04/01/25/981040125.db2.gz ZIGNUMRRRDQYJR-LLVKDONJSA-N -1 0 304.343 -0.075 20 0 DBADRM CC[C@H](F)C(=O)NC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001357990550 981105488 /nfs/dbraw/zinc/10/54/88/981105488.db2.gz XTWMRMZFQIIYTL-RTMURIBGSA-N -1 0 315.305 -0.774 20 0 DBADRM CCc1nc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)co1 ZINC001361450747 981235486 /nfs/dbraw/zinc/23/54/86/981235486.db2.gz GZJWNSIFNNLJQG-UHFFFAOYSA-N -1 0 302.294 -0.062 20 0 DBADRM CCCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H](C)C(=O)OC ZINC001361540722 981254143 /nfs/dbraw/zinc/25/41/43/981254143.db2.gz JPOSZNJFWDOBMN-SECBINFHSA-N -1 0 321.337 -0.129 20 0 DBADRM Cc1oc(C(=O)N(C)c2nnn[n-]2)cc1S(=O)(=O)N(C)C ZINC001361566826 981261256 /nfs/dbraw/zinc/26/12/56/981261256.db2.gz YBYZZJPNHRYESH-UHFFFAOYSA-N -1 0 314.327 -0.372 20 0 DBADRM O=C(N1CCCc2c(=O)[nH]cnc21)[C@]1(F)CCS(=O)(=O)C1 ZINC001361599444 981268188 /nfs/dbraw/zinc/26/81/88/981268188.db2.gz PRGWPKKBOCLUSD-LBPRGKRZSA-N -1 0 315.326 -0.012 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001361609433 981272080 /nfs/dbraw/zinc/27/20/80/981272080.db2.gz KZAMWCNXNVMCBC-WDEREUQCSA-N -1 0 321.337 -0.667 20 0 DBADRM CN(C)C(=O)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001361610136 981273072 /nfs/dbraw/zinc/27/30/72/981273072.db2.gz BSHASBOPULLPKL-UHFFFAOYSA-N -1 0 305.294 -0.916 20 0 DBADRM O=C(NCCc1cn2c(n1)CCCC2)c1n[nH]c(=O)[n-]c1=O ZINC001361622570 981276905 /nfs/dbraw/zinc/27/69/05/981276905.db2.gz LVXAUCZHUNHSSQ-UHFFFAOYSA-N -1 0 304.310 -0.212 20 0 DBADRM COCCn1nnnc1NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001361635498 981282055 /nfs/dbraw/zinc/28/20/55/981282055.db2.gz GLBLLXMQVMYRJY-UHFFFAOYSA-N -1 0 323.357 -0.354 20 0 DBADRM NC(=O)NC[C@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001361650689 981288566 /nfs/dbraw/zinc/28/85/66/981288566.db2.gz KKBUYSWGQFORCN-SECBINFHSA-N -1 0 318.337 -0.457 20 0 DBADRM COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1nnn[n-]1 ZINC001361673041 981295146 /nfs/dbraw/zinc/29/51/46/981295146.db2.gz ITRYOLMBLAXYSI-ZETCQYMHSA-N -1 0 300.319 -0.298 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001361702559 981301242 /nfs/dbraw/zinc/30/12/42/981301242.db2.gz WRLNFIAVKQQEKQ-JTQLQIEISA-N -1 0 311.342 -0.988 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)OC(C)(C)C ZINC001361716135 981304852 /nfs/dbraw/zinc/30/48/52/981304852.db2.gz FWFGDNUFWRQMPV-UHFFFAOYSA-N -1 0 315.330 -0.328 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)Nc2ccn(C)c(=O)n2)cc1=O ZINC001361774329 981318307 /nfs/dbraw/zinc/31/83/07/981318307.db2.gz KLKSXMWUKZPHKH-UHFFFAOYSA-N -1 0 305.338 -0.059 20 0 DBADRM O=C(c1ncc2n1CCCC2)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001361783844 981321319 /nfs/dbraw/zinc/32/13/19/981321319.db2.gz LYZQYONMLPBFIK-SNVBAGLBSA-N -1 0 303.326 -0.054 20 0 DBADRM O=C(C[C@@H]1CCCS1(=O)=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001361785150 981323633 /nfs/dbraw/zinc/32/36/33/981323633.db2.gz RPTFVVATQHVSOP-IUCAKERBSA-N -1 0 315.355 -0.933 20 0 DBADRM CC(=O)Nc1cccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001361845218 981339700 /nfs/dbraw/zinc/33/97/00/981339700.db2.gz NDTZGJCNHMJGEA-UHFFFAOYSA-N -1 0 305.294 -0.036 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001361857191 981342007 /nfs/dbraw/zinc/34/20/07/981342007.db2.gz QVABWAVEUAHHRJ-MRVPVSSYSA-N -1 0 304.310 -0.244 20 0 DBADRM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001361870870 981346052 /nfs/dbraw/zinc/34/60/52/981346052.db2.gz NYJGJWSESSYVGN-IUCAKERBSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC1CCCCC1 ZINC001361887502 981350952 /nfs/dbraw/zinc/35/09/52/981350952.db2.gz YFURIGOFBWVACV-UHFFFAOYSA-N -1 0 309.326 -0.148 20 0 DBADRM O=C(Nc1cnn(CCN2CCOCC2)c1)c1c[n-]ncc1=O ZINC001361913456 981358317 /nfs/dbraw/zinc/35/83/17/981358317.db2.gz OKPNWAQJHBZJQD-UHFFFAOYSA-N -1 0 318.337 -0.037 20 0 DBADRM CC[C@@H](C)NC(=O)CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001361952608 981370000 /nfs/dbraw/zinc/37/00/00/981370000.db2.gz KLTPJAWRCGWQKQ-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001361963221 981374762 /nfs/dbraw/zinc/37/47/62/981374762.db2.gz DHWVKBNRRNDLAE-QMMMGPOBSA-N -1 0 320.305 -0.052 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)c2c[n-]ncc2=O)C1 ZINC001361971650 981375609 /nfs/dbraw/zinc/37/56/09/981375609.db2.gz URYRKSHBMQIFQI-MRVPVSSYSA-N -1 0 300.340 -0.664 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCC2(CNC(=O)C2)CC1 ZINC001361987634 981382008 /nfs/dbraw/zinc/38/20/08/981382008.db2.gz HJFBXDQKVJYOHN-UHFFFAOYSA-N -1 0 315.333 -0.235 20 0 DBADRM COC(=O)[C@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C1CC1 ZINC001362008743 981385374 /nfs/dbraw/zinc/38/53/74/981385374.db2.gz LIHVNWXCQTWUDV-LLVKDONJSA-N -1 0 316.321 -0.244 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C1CC1 ZINC001362008744 981385700 /nfs/dbraw/zinc/38/57/00/981385700.db2.gz LIHVNWXCQTWUDV-NSHDSACASA-N -1 0 316.321 -0.244 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001362016359 981386892 /nfs/dbraw/zinc/38/68/92/981386892.db2.gz YRFNPYNPQNYTHE-LLVKDONJSA-N -1 0 322.369 -0.628 20 0 DBADRM COc1cccc2c1OC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001362034720 981392802 /nfs/dbraw/zinc/39/28/02/981392802.db2.gz CPZGCEKSSYYMST-SECBINFHSA-N -1 0 320.305 -0.182 20 0 DBADRM CCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCS(=O)(=O)C1 ZINC001362047428 981398789 /nfs/dbraw/zinc/39/87/89/981398789.db2.gz OBCJVEXQKRYUTA-QMMMGPOBSA-N -1 0 318.355 -0.885 20 0 DBADRM CN(C)[C@]1(C(=O)NCc2nnn[n-]2)COc2ccccc2C1 ZINC001362047339 981398968 /nfs/dbraw/zinc/39/89/68/981398968.db2.gz YUWFQVKTWHAWGN-AWEZNQCLSA-N -1 0 302.338 -0.249 20 0 DBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362065084 981405978 /nfs/dbraw/zinc/40/59/78/981405978.db2.gz SOJXUARTOFGWSO-YUMQZZPRSA-N -1 0 311.346 -0.817 20 0 DBADRM CCC[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)c1nnn[n-]1 ZINC001362070139 981409450 /nfs/dbraw/zinc/40/94/50/981409450.db2.gz QOICSGRHKLYWMQ-QMMMGPOBSA-N -1 0 302.360 -0.952 20 0 DBADRM C[C@@H](CCNC(=O)CCCn1c(=O)[n-][nH]c1=O)[S@](C)=O ZINC001362086088 981414217 /nfs/dbraw/zinc/41/42/17/981414217.db2.gz XRRLYAWKDDZGRE-FHZGZLOMSA-N -1 0 304.372 -0.257 20 0 DBADRM O=C(c1noc2c1COCC2)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362092954 981416781 /nfs/dbraw/zinc/41/67/81/981416781.db2.gz XIZNOZDLGRUCGM-VIFPVBQESA-N -1 0 306.282 -0.526 20 0 DBADRM COC(=O)[C@H](C)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362098292 981420183 /nfs/dbraw/zinc/42/01/83/981420183.db2.gz GFICCKOHZKDXJY-MRVPVSSYSA-N -1 0 304.310 -0.386 20 0 DBADRM O=C(NC[C@H](O)COc1ccc(F)cc1)c1n[nH]c(=O)[n-]c1=O ZINC001362104071 981421169 /nfs/dbraw/zinc/42/11/69/981421169.db2.gz BMCNELUZQUPCPP-QMMMGPOBSA-N -1 0 324.268 -0.408 20 0 DBADRM CC(=O)N[C@](C)(C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)C(C)C ZINC001362122421 981428662 /nfs/dbraw/zinc/42/86/62/981428662.db2.gz GNCWNFDWZHBBTM-MFKMUULPSA-N -1 0 310.358 -0.350 20 0 DBADRM COc1ccccc1[C@H](O)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362128120 981430733 /nfs/dbraw/zinc/43/07/33/981430733.db2.gz YADLTPLDPPSESR-RYUDHWBXSA-N -1 0 319.321 -0.158 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)CCCc3nnn[n-]3)C2)cn1 ZINC001362163907 981445852 /nfs/dbraw/zinc/44/58/52/981445852.db2.gz CZBWLPIPJBCLMH-JTQLQIEISA-N -1 0 304.358 -0.349 20 0 DBADRM Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362167799 981447163 /nfs/dbraw/zinc/44/71/63/981447163.db2.gz QTVXVAYANRKYJZ-VIFPVBQESA-N -1 0 322.325 -0.371 20 0 DBADRM CC(C)(CCS(C)(=O)=O)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362179173 981449750 /nfs/dbraw/zinc/44/97/50/981449750.db2.gz VPCZDPLTVOITJQ-UHFFFAOYSA-N -1 0 306.344 -0.981 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001362183193 981451009 /nfs/dbraw/zinc/45/10/09/981451009.db2.gz YFFXRRDFESNSBH-MRVPVSSYSA-N -1 0 312.326 -0.121 20 0 DBADRM NC(=O)COc1cccc(CNC(=O)CCCc2nnn[n-]2)c1 ZINC001362182871 981451995 /nfs/dbraw/zinc/45/19/95/981451995.db2.gz YSSSPFDKSKMDGE-UHFFFAOYSA-N -1 0 318.337 -0.297 20 0 DBADRM CC[S@](=O)CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362181563 981452066 /nfs/dbraw/zinc/45/20/66/981452066.db2.gz TWTRHWOOJVZOSE-NRFANRHFSA-N -1 0 308.367 -0.427 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362208539 981460912 /nfs/dbraw/zinc/46/09/12/981460912.db2.gz NAWCONUULHXJEL-UWVGGRQHSA-N -1 0 310.358 -0.961 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)CSc2n[nH]c(=O)[n-]2)n1 ZINC001362217821 981465252 /nfs/dbraw/zinc/46/52/52/981465252.db2.gz AZGYFUWPCIXYFN-UHFFFAOYSA-N -1 0 312.311 -0.389 20 0 DBADRM C[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)[C@@H]1CN(C)CCO1 ZINC001362240640 981476856 /nfs/dbraw/zinc/47/68/56/981476856.db2.gz YZJQNKHDNGNMOA-SFYZADRCSA-N -1 0 301.372 -0.562 20 0 DBADRM Cc1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)ncc1C(N)=O ZINC001362246881 981480140 /nfs/dbraw/zinc/48/01/40/981480140.db2.gz QVSSHAGCHIKROB-SNVBAGLBSA-N -1 0 317.309 -0.784 20 0 DBADRM CN(C)c1ccc(NC(=O)CCc2nnn[n-]2)c(C(N)=O)c1 ZINC001362270024 981491014 /nfs/dbraw/zinc/49/10/14/981491014.db2.gz PIVGRWVVDUSPPT-UHFFFAOYSA-N -1 0 303.326 -0.064 20 0 DBADRM CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1nc(=O)o[n-]1 ZINC001362273789 981492823 /nfs/dbraw/zinc/49/28/23/981492823.db2.gz YIMUCTKAFHPMHY-ZETCQYMHSA-N -1 0 316.314 -0.481 20 0 DBADRM NS(=O)(=O)c1ccc2c(c1)N(C(=O)CCc1nnn[n-]1)CC2 ZINC001362285116 981498017 /nfs/dbraw/zinc/49/80/17/981498017.db2.gz OMTIUIRZWVHXFL-UHFFFAOYSA-N -1 0 322.350 -0.631 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)nn1 ZINC001362298096 981502405 /nfs/dbraw/zinc/50/24/05/981502405.db2.gz HCTWXXIGRKIYEF-BDAKNGLRSA-N -1 0 308.346 -0.562 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1nc(=O)o[n-]1 ZINC001362317455 981511796 /nfs/dbraw/zinc/51/17/96/981511796.db2.gz FRKFDDBJCSPZTD-OIBJUYFYSA-N -1 0 312.326 -0.965 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@]12CCCO2 ZINC001362323043 981513382 /nfs/dbraw/zinc/51/33/82/981513382.db2.gz HDRCUZWKJSTBCQ-JRKPZEMJSA-N -1 0 312.326 -0.468 20 0 DBADRM C[C@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C(=O)N(C)C ZINC001362321701 981513627 /nfs/dbraw/zinc/51/36/27/981513627.db2.gz FXLFKVRFJVPABR-QMMMGPOBSA-N -1 0 303.326 -0.719 20 0 DBADRM COc1ccccc1[C@@H](CO)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362327075 981515332 /nfs/dbraw/zinc/51/53/32/981515332.db2.gz PAILGRYTXNOHRG-SECBINFHSA-N -1 0 308.294 -0.452 20 0 DBADRM CCO[C@@H](C(=O)Nc1n[nH]c(CC(=O)OC)n1)[C@H]1CCOC1 ZINC001362342211 981522089 /nfs/dbraw/zinc/52/20/89/981522089.db2.gz XKEAJRUKMIKGKY-GZMMTYOYSA-N -1 0 312.326 -0.100 20 0 DBADRM CC1(C)CO[C@@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC001362345489 981524377 /nfs/dbraw/zinc/52/43/77/981524377.db2.gz GZKUQERTLWANQZ-VIFPVBQESA-N -1 0 306.384 -0.226 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362353212 981526270 /nfs/dbraw/zinc/52/62/70/981526270.db2.gz WJPLPRRPGTXDCZ-PJLCYMMNSA-N -1 0 324.362 -0.237 20 0 DBADRM COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001362354433 981527899 /nfs/dbraw/zinc/52/78/99/981527899.db2.gz JNJHCLPUMMJBRR-GXSJLCMTSA-N -1 0 320.305 -0.839 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC[S@@](=O)C1 ZINC001362356836 981529598 /nfs/dbraw/zinc/52/95/98/981529598.db2.gz NAFHCFJGDWABCR-PVBMHHQDSA-N -1 0 323.378 -0.702 20 0 DBADRM COCCn1cc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)cn1 ZINC001362366839 981532940 /nfs/dbraw/zinc/53/29/40/981532940.db2.gz MLBWUOKYSIHBRE-SNVBAGLBSA-N -1 0 323.382 -0.027 20 0 DBADRM Cn1cc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)n(C)c1=O ZINC001362368949 981534554 /nfs/dbraw/zinc/53/45/54/981534554.db2.gz PIQFPCJHTFISEP-QMMMGPOBSA-N -1 0 309.355 -0.833 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362368992 981534846 /nfs/dbraw/zinc/53/48/46/981534846.db2.gz QURYJZQZXVRTPT-YWVKMMECSA-N -1 0 323.353 -0.418 20 0 DBADRM O=C([C@H]1CCc2c[nH]nc2C1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362391395 981543159 /nfs/dbraw/zinc/54/31/59/981543159.db2.gz VVONFSHBYWVBDX-VIFPVBQESA-N -1 0 317.353 -0.462 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1c[n-]ncc1=O ZINC001362390410 981543390 /nfs/dbraw/zinc/54/33/90/981543390.db2.gz TUXYHSWBONSCLQ-MRVPVSSYSA-N -1 0 300.340 -0.664 20 0 DBADRM CCCn1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)nn1 ZINC001362390086 981543518 /nfs/dbraw/zinc/54/35/18/981543518.db2.gz TZLPSNSGHUCVAZ-UHFFFAOYSA-N -1 0 306.330 -0.675 20 0 DBADRM Cc1cc(CCC(=O)N2CCC(O)(c3nnn[n-]3)CC2)no1 ZINC001362387948 981543812 /nfs/dbraw/zinc/54/38/12/981543812.db2.gz NQRQHQUJORRJOL-UHFFFAOYSA-N -1 0 306.326 -0.061 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1c[n-]ncc1=O ZINC001362390411 981544260 /nfs/dbraw/zinc/54/42/60/981544260.db2.gz TUXYHSWBONSCLQ-QMMMGPOBSA-N -1 0 300.340 -0.664 20 0 DBADRM O=C(COCc1ccccn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362393280 981546077 /nfs/dbraw/zinc/54/60/77/981546077.db2.gz YMJQGWKSXSGYAT-UHFFFAOYSA-N -1 0 318.337 -0.379 20 0 DBADRM CN1CC[C@@H](NC(=O)c2nc[n-]c(=O)c2Br)C1=O ZINC001362409298 981555142 /nfs/dbraw/zinc/55/51/42/981555142.db2.gz VFSJDHYRZUKWGH-RXMQYKEDSA-N -1 0 315.127 -0.095 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362407155 981555219 /nfs/dbraw/zinc/55/52/19/981555219.db2.gz NPQGVDXMYOIEIF-IUCAKERBSA-N -1 0 301.372 -0.414 20 0 DBADRM O=C(c1cnn(CCO)c1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362413255 981556720 /nfs/dbraw/zinc/55/67/20/981556720.db2.gz YGOKMBRTUIFCQR-SECBINFHSA-N -1 0 309.355 -0.681 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@H]1O ZINC001362413064 981556969 /nfs/dbraw/zinc/55/69/69/981556969.db2.gz WJSAMIFSFATSRI-BXKDBHETSA-N -1 0 302.338 -0.082 20 0 DBADRM NC(=O)C[C@@H]1CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001362413253 981557550 /nfs/dbraw/zinc/55/75/50/981557550.db2.gz GSTWUAUWKFFIIW-VIFPVBQESA-N -1 0 311.342 -0.417 20 0 DBADRM C[C@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@H]1O ZINC001362413066 981557973 /nfs/dbraw/zinc/55/79/73/981557973.db2.gz WJSAMIFSFATSRI-JOYOIKCWSA-N -1 0 302.338 -0.082 20 0 DBADRM CCN(CC(N)=O)C(=O)c1nc[n-]c(=O)c1Br ZINC001362421026 981562557 /nfs/dbraw/zinc/56/25/57/981562557.db2.gz BBCFBZRECQANMO-UHFFFAOYSA-N -1 0 303.116 -0.108 20 0 DBADRM O=C(NCCn1ncnn1)c1nc[n-]c(=O)c1Br ZINC001362431320 981565566 /nfs/dbraw/zinc/56/55/66/981565566.db2.gz XSLMNEVHZAYXMM-UHFFFAOYSA-N -1 0 314.103 -0.639 20 0 DBADRM Cc1nnc(CCC(=O)N2CCC(O)(c3nnn[n-]3)CC2)o1 ZINC001362438627 981571699 /nfs/dbraw/zinc/57/16/99/981571699.db2.gz UVPLDCAIJCZSKX-UHFFFAOYSA-N -1 0 307.314 -0.666 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1CC(c2cnn(C)c2)=NO1)c1nnn[n-]1 ZINC001362453468 981578237 /nfs/dbraw/zinc/57/82/37/981578237.db2.gz LTTZOOMJSUGNDZ-LDYMZIIASA-N -1 0 318.341 -0.312 20 0 DBADRM CCOC1CC2(C[C@H]2C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC001362468579 981585804 /nfs/dbraw/zinc/58/58/04/981585804.db2.gz OKEHWOQOAZKAHY-QUNCOHTASA-N -1 0 318.395 -0.226 20 0 DBADRM CC1(C)C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCO1 ZINC001362471501 981588787 /nfs/dbraw/zinc/58/87/87/981588787.db2.gz YTXDIXHBWADVIB-VIFPVBQESA-N -1 0 306.384 -0.226 20 0 DBADRM CSC[C@@H](CCO)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362476693 981590303 /nfs/dbraw/zinc/59/03/03/981590303.db2.gz WSJANHRVJWNDIB-SNVBAGLBSA-N -1 0 322.394 -0.081 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC(OCCO)CC1 ZINC001362489678 981597545 /nfs/dbraw/zinc/59/75/45/981597545.db2.gz ZSEOODZZNBJNHD-UHFFFAOYSA-N -1 0 302.356 -0.398 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001362490899 981598534 /nfs/dbraw/zinc/59/85/34/981598534.db2.gz WUIOVGDYRVHECL-UWVGGRQHSA-N -1 0 305.313 -0.109 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@](CO)(c2ccccc2)C1 ZINC001362492469 981599173 /nfs/dbraw/zinc/59/91/73/981599173.db2.gz IMYGAIKRNBFDMQ-HNNXBMFYSA-N -1 0 318.333 -0.148 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC(F)(F)C[C@H]1CO ZINC001362498145 981602262 /nfs/dbraw/zinc/60/22/62/981602262.db2.gz CZIZGYLSRYLSLK-ZETCQYMHSA-N -1 0 306.269 -0.302 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@@H]1CSCC(=O)N1 ZINC001362502234 981603994 /nfs/dbraw/zinc/60/39/94/981603994.db2.gz CFVLSWNSDIYUIZ-VIFPVBQESA-N -1 0 320.334 -0.462 20 0 DBADRM CCO[C@H]1C[C@](CO)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1(C)C ZINC001362502531 981604251 /nfs/dbraw/zinc/60/42/51/981604251.db2.gz VQBDZABSGAJCFD-ISVAXAHUSA-N -1 0 314.342 -0.628 20 0 DBADRM C[C@H](CN(C)C(=O)C[C@]1(C)CCS(=O)(=O)N1)c1nnn[n-]1 ZINC001362504732 981605493 /nfs/dbraw/zinc/60/54/93/981605493.db2.gz XQGMAJXULJABRK-KCJUWKMLSA-N -1 0 316.387 -0.767 20 0 DBADRM CN1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001362509930 981609165 /nfs/dbraw/zinc/60/91/65/981609165.db2.gz WUCBXQJIMZYHPA-RISCZKNCSA-N -1 0 318.337 -0.239 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCC(N2CCCNC2=O)CC1 ZINC001362513185 981614368 /nfs/dbraw/zinc/61/43/68/981614368.db2.gz CUSJSOXJDFGRAO-UHFFFAOYSA-N -1 0 307.358 -0.461 20 0 DBADRM O=C(c1cn2c(n1)COCC2)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362522053 981618878 /nfs/dbraw/zinc/61/88/78/981618878.db2.gz VFQGHSRFOYODRS-VIFPVBQESA-N -1 0 321.366 -0.143 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc1=O ZINC001362525707 981626208 /nfs/dbraw/zinc/62/62/08/981626208.db2.gz UPTSILFDKPFSST-JTQLQIEISA-N -1 0 323.353 -0.879 20 0 DBADRM C[C@H](NC(=O)c1c[n-]n2c1nccc2=O)C1(S(C)(=O)=O)CC1 ZINC001362529829 981629224 /nfs/dbraw/zinc/62/92/24/981629224.db2.gz XOOGYNZHLRRFBQ-QMMMGPOBSA-N -1 0 324.362 -0.282 20 0 DBADRM O=C(c1nc[n-]c(=O)c1Br)N1C[C@H](O)[C@H](CO)C1 ZINC001362535455 981639009 /nfs/dbraw/zinc/63/90/09/981639009.db2.gz MACJTAPVSZKRPM-WDSKDSINSA-N -1 0 318.127 -0.630 20 0 DBADRM Cn1[n-]c(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)cc1=O ZINC001362539767 981649017 /nfs/dbraw/zinc/64/90/17/981649017.db2.gz ZVCCTGPAXNBHDU-UWVGGRQHSA-N -1 0 315.351 -0.846 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC1(CO)CCSCC1 ZINC001362544145 981651020 /nfs/dbraw/zinc/65/10/20/981651020.db2.gz ZTNJMHWFHBWDEK-UHFFFAOYSA-N -1 0 304.397 -0.023 20 0 DBADRM O=C([C@H]1CCc2cncn2C1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362558211 981677230 /nfs/dbraw/zinc/67/72/30/981677230.db2.gz BTYPWFNHQUGLKN-JTQLQIEISA-N -1 0 317.353 -0.531 20 0 DBADRM C[C@H](CC(=O)N1CCC(O)(c2nnn[n-]2)CC1)n1cccn1 ZINC001362558208 981677589 /nfs/dbraw/zinc/67/75/89/981677589.db2.gz BTYJHKVOQXZHFJ-SNVBAGLBSA-N -1 0 305.342 -0.143 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)CCCc2nnn[n-]2)O1 ZINC001362565286 981695256 /nfs/dbraw/zinc/69/52/56/981695256.db2.gz BRVIDWVMSQPRIS-VHSXEESVSA-N -1 0 310.358 -0.726 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC001362569579 981700827 /nfs/dbraw/zinc/70/08/27/981700827.db2.gz IUWDFNWIVMWWTG-NXEZZACHSA-N -1 0 313.383 -0.300 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H](CO)c1cccnc1 ZINC001362572298 981706258 /nfs/dbraw/zinc/70/62/58/981706258.db2.gz DGNUHFNZQDBEIZ-JTQLQIEISA-N -1 0 307.310 -0.286 20 0 DBADRM CC1(C)CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@H](CO)O1 ZINC001362576941 981716390 /nfs/dbraw/zinc/71/63/90/981716390.db2.gz LTIBEVATIGDYMF-VIFPVBQESA-N -1 0 321.337 -0.931 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001362580865 981721659 /nfs/dbraw/zinc/72/16/59/981721659.db2.gz LYZKSOIBWUWHQB-RCOVLWMOSA-N -1 0 304.266 -0.197 20 0 DBADRM C[C@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H](C)S1=O ZINC001362579869 981722160 /nfs/dbraw/zinc/72/21/60/981722160.db2.gz JPPMDJCOMZALJE-IUCAKERBSA-N -1 0 316.383 -0.163 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001362580854 981722449 /nfs/dbraw/zinc/72/24/49/981722449.db2.gz LYZKSOIBWUWHQB-IMTBSYHQSA-N -1 0 304.266 -0.197 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc2c(c1)C(=O)NCCO2 ZINC001362592855 981736456 /nfs/dbraw/zinc/73/64/56/981736456.db2.gz SNGBWWIVIYSHCQ-UHFFFAOYSA-N -1 0 318.289 -0.542 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC(OCCO)CC1 ZINC001362597438 981739272 /nfs/dbraw/zinc/73/92/72/981739272.db2.gz LMYNSFXVSRPKLG-UHFFFAOYSA-N -1 0 314.342 -0.531 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001362601827 981743367 /nfs/dbraw/zinc/74/33/67/981743367.db2.gz CTENEYFBGHEQLA-CQSZACIVSA-N -1 0 322.321 -0.757 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001362605718 981747416 /nfs/dbraw/zinc/74/74/16/981747416.db2.gz NGFOPLVLFCLPEA-NTSWFWBYSA-N -1 0 322.243 -0.364 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CNC(=O)c1cccc(O)c1 ZINC001362603650 981748063 /nfs/dbraw/zinc/74/80/63/981748063.db2.gz HTDOYTVFFQYRIE-UHFFFAOYSA-N -1 0 306.278 -0.543 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CNC(=O)OCC(F)(F)F ZINC001362609289 981749523 /nfs/dbraw/zinc/74/95/23/981749523.db2.gz ZIABYMOMQFKDOC-UHFFFAOYSA-N -1 0 312.204 -0.390 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC001362615016 981761174 /nfs/dbraw/zinc/76/11/74/981761174.db2.gz ATYNPIOOIRTNAR-MRVPVSSYSA-N -1 0 305.342 -0.260 20 0 DBADRM C[C@H]1OCC[C@@]12CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C[C@@H](C)O2 ZINC001362621480 981766835 /nfs/dbraw/zinc/76/68/35/981766835.db2.gz PXGSOOXXXACDJZ-JRKPZEMJSA-N -1 0 312.326 -0.516 20 0 DBADRM NC(=O)[C@@H](O)CNC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001362624587 981770949 /nfs/dbraw/zinc/77/09/49/981770949.db2.gz WNSIVJMSDDTCGK-VIFPVBQESA-N -1 0 308.269 -0.707 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@@H](c2cc(=O)[nH][nH]2)C1 ZINC001362639010 981784447 /nfs/dbraw/zinc/78/44/47/981784447.db2.gz LJKMEAPKRGSXNH-MRVPVSSYSA-N -1 0 322.325 -0.086 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1C[C@H]1[C@H]1CCCO1 ZINC001362638337 981785395 /nfs/dbraw/zinc/78/53/95/981785395.db2.gz NMKRZQSPMYQNEJ-FBIMIBRVSA-N -1 0 303.322 -0.245 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)CC[S@@](=O)C1 ZINC001362656275 981801378 /nfs/dbraw/zinc/80/13/78/981801378.db2.gz FPLSLIOADVEXJE-AOUSDQRYSA-N -1 0 308.363 -0.137 20 0 DBADRM C[C@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)CC[S@](=O)C1 ZINC001362656277 981802321 /nfs/dbraw/zinc/80/23/21/981802321.db2.gz FPLSLIOADVEXJE-FPVGNUTFSA-N -1 0 308.363 -0.137 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)[N-]N2CCOC2=O)oc1Cl ZINC001362665584 981807085 /nfs/dbraw/zinc/80/70/85/981807085.db2.gz ITQNPTQGAIBWDO-UHFFFAOYSA-N -1 0 309.687 -0.323 20 0 DBADRM O=C(NCCC1CS(=O)(=O)C1)c1c[n-]n2c1nccc2=O ZINC001362668918 981809680 /nfs/dbraw/zinc/80/96/80/981809680.db2.gz YXEWIYLTALAODC-UHFFFAOYSA-N -1 0 310.335 -0.813 20 0 DBADRM CO[C@H](C(=O)N1CCSC[C@H]1c1nnn[n-]1)c1cnn(C)c1 ZINC001362672832 981811534 /nfs/dbraw/zinc/81/15/34/981811534.db2.gz OXLWMQJLZCTJGW-UWVGGRQHSA-N -1 0 323.382 -0.063 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NCc2nc(=O)o[n-]2)C1 ZINC001362682462 981816231 /nfs/dbraw/zinc/81/62/31/981816231.db2.gz KSNNAGZAKLJGOY-SSDOTTSWSA-N -1 0 312.282 -0.534 20 0 DBADRM CC(C)(C)OC(=O)Cn1cc(C(=O)[N-]N2CCCC2=O)nn1 ZINC001362690360 981819643 /nfs/dbraw/zinc/81/96/43/981819643.db2.gz YKZPIQVCGWFPPH-UHFFFAOYSA-N -1 0 309.326 -0.113 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC(=O)N1 ZINC001362697756 981827520 /nfs/dbraw/zinc/82/75/20/981827520.db2.gz VASXPMBXVNDMQP-MRVPVSSYSA-N -1 0 317.305 -0.773 20 0 DBADRM C[C@H](C[S@@](C)=O)N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362701828 981830245 /nfs/dbraw/zinc/83/02/45/981830245.db2.gz ONSXNUDBPNGGNA-ZPWHCFADSA-N -1 0 304.372 -0.305 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H](CO)c1ccc(F)cc1F ZINC001362711248 981837873 /nfs/dbraw/zinc/83/78/73/981837873.db2.gz NPSQDOFWGFIXKF-SECBINFHSA-N -1 0 314.248 -0.183 20 0 DBADRM CN(C(=O)c1ccc2c(c1)NC(=O)CNC2=O)c1nnn[n-]1 ZINC001362718602 981844410 /nfs/dbraw/zinc/84/44/10/981844410.db2.gz HRWQWWBQQUGOPP-UHFFFAOYSA-N -1 0 301.266 -0.842 20 0 DBADRM O=C([C@@H](O)c1ccccn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362724004 981848720 /nfs/dbraw/zinc/84/87/20/981848720.db2.gz KSTDUKSYBDYKCC-JTQLQIEISA-N -1 0 304.310 -0.862 20 0 DBADRM Cn1ncc(Cl)c1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362726717 981851024 /nfs/dbraw/zinc/85/10/24/981851024.db2.gz CFAGRLNPOFQVCM-UHFFFAOYSA-N -1 0 311.733 -0.290 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n(C)c1=O ZINC001362727664 981851239 /nfs/dbraw/zinc/85/12/39/981851239.db2.gz VJFYTFWDSVPLMK-MRVPVSSYSA-N -1 0 306.326 -0.433 20 0 DBADRM Cc1noc(CCCC(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001362729375 981853695 /nfs/dbraw/zinc/85/36/95/981853695.db2.gz WZNFXDLQHXRFMC-UHFFFAOYSA-N -1 0 321.341 -0.276 20 0 DBADRM O=C(COc1ccc(O)cc1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001362757396 981867808 /nfs/dbraw/zinc/86/78/08/981867808.db2.gz DTUIUWWOZYDARN-NSHDSACASA-N -1 0 305.294 -0.116 20 0 DBADRM CSc1nccnc1C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001362757198 981867858 /nfs/dbraw/zinc/86/78/58/981867858.db2.gz CCNJHYPRESKLOC-ZETCQYMHSA-N -1 0 307.339 -0.075 20 0 DBADRM O=C(c1ccnn1CC(F)F)N1CCOC[C@H]1c1nnn[n-]1 ZINC001362757168 981868081 /nfs/dbraw/zinc/86/80/81/981868081.db2.gz BLUAPPMPDVUJPD-QMMMGPOBSA-N -1 0 313.268 -0.125 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)CCO2)cn1 ZINC001362759013 981870237 /nfs/dbraw/zinc/87/02/37/981870237.db2.gz JCLKGQKDTAXHBC-IUCAKERBSA-N -1 0 320.309 -0.334 20 0 DBADRM COC1([C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)CCOCC1 ZINC001362779524 981882915 /nfs/dbraw/zinc/88/29/15/981882915.db2.gz NENBGEDWLRQDQM-MRVPVSSYSA-N -1 0 300.315 -0.610 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@@H]1CCCS(=O)(=O)C1 ZINC001362784081 981883594 /nfs/dbraw/zinc/88/35/94/981883594.db2.gz ICFBXHMEBUPAGD-ZETCQYMHSA-N -1 0 320.396 -0.457 20 0 DBADRM COC(=O)[C@@H](CF)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362783885 981883978 /nfs/dbraw/zinc/88/39/78/981883978.db2.gz XRQUTXIZKTYXQI-SECBINFHSA-N -1 0 308.273 -0.684 20 0 DBADRM CCC(CC)(NC(=O)c1cn(CCOC)nn1)c1nnn[n-]1 ZINC001362788282 981887817 /nfs/dbraw/zinc/88/78/17/981887817.db2.gz VDNYHXLQBMWRGU-UHFFFAOYSA-N -1 0 308.346 -0.117 20 0 DBADRM CCOCn1nc(C)c(CC(=O)Nn2c(=O)[n-][nH]c2=O)c1C ZINC001362795316 981893105 /nfs/dbraw/zinc/89/31/05/981893105.db2.gz MYGRZQMBNFELFB-UHFFFAOYSA-N -1 0 310.314 -0.191 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1C[C@H](CO)[C@H](CO)C1 ZINC001362800107 981894903 /nfs/dbraw/zinc/89/49/03/981894903.db2.gz RPHQAEDGERMMKU-DTORHVGOSA-N -1 0 320.305 -0.891 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC001362799551 981895678 /nfs/dbraw/zinc/89/56/78/981895678.db2.gz OGMQFRLHHASREC-LURJTMIESA-N -1 0 305.294 -0.093 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCn2c(nnc2C(F)F)C1 ZINC001362805728 981898731 /nfs/dbraw/zinc/89/87/31/981898731.db2.gz LAMCIJJWWKUXGU-UHFFFAOYSA-N -1 0 315.240 -0.739 20 0 DBADRM COC(=O)N1CCC(C(=O)N2CC[C@H](c3nnn[n-]3)C2)CC1 ZINC001362804103 981899345 /nfs/dbraw/zinc/89/93/45/981899345.db2.gz BXEOPRBABSTGMC-JTQLQIEISA-N -1 0 308.342 -0.006 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCN(CCc2cnccn2)CC1 ZINC001362804951 981899398 /nfs/dbraw/zinc/89/93/98/981899398.db2.gz QMDUFSXXCIAREW-UHFFFAOYSA-N -1 0 316.369 -0.691 20 0 DBADRM CC[C@](COC)(NC(=O)c1c[n-]n2c1nccc2=O)C(=O)OC ZINC001362815587 981910858 /nfs/dbraw/zinc/91/08/58/981910858.db2.gz IGBPCKRECDBDAR-CQSZACIVSA-N -1 0 322.321 -0.279 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362816910 981913855 /nfs/dbraw/zinc/91/38/55/981913855.db2.gz IPGMNGJXTLFOPG-VIFPVBQESA-N -1 0 317.353 -0.329 20 0 DBADRM COC(=O)[C@]12CN(C(=O)CCc3nnn[n-]3)C[C@H]1COCC2 ZINC001362838732 981928889 /nfs/dbraw/zinc/92/88/89/981928889.db2.gz NZRLFJQAOLKBAY-TVQRCGJNSA-N -1 0 309.326 -0.830 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1Cc2cnccc2NC1=O ZINC001362839165 981929192 /nfs/dbraw/zinc/92/91/92/981929192.db2.gz ISDISBLSUSUDSD-MRVPVSSYSA-N -1 0 320.334 -0.323 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CCO1 ZINC001362849261 981942890 /nfs/dbraw/zinc/94/28/90/981942890.db2.gz ZIUNPIBIELBMFC-LDYMZIIASA-N -1 0 304.310 -0.517 20 0 DBADRM Cc1nc(CNC(=O)CCCc2nnn[n-]2)sc1C(N)=O ZINC001362849920 981943067 /nfs/dbraw/zinc/94/30/67/981943067.db2.gz BMTBJJNMNNPSGW-UHFFFAOYSA-N -1 0 309.355 -0.297 20 0 DBADRM CC[C@H]1COCCN1CCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362859939 981952543 /nfs/dbraw/zinc/95/25/43/981952543.db2.gz PPABZBKBFINONH-VIFPVBQESA-N -1 0 315.399 -0.171 20 0 DBADRM CC1(CCNC(=O)CCCn2c(=O)[n-][nH]c2=O)OCCO1 ZINC001362860198 981953242 /nfs/dbraw/zinc/95/32/42/981953242.db2.gz VOGRQTIKUSJHOE-UHFFFAOYSA-N -1 0 300.315 -0.261 20 0 DBADRM C[C@H](C(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC001530727460 1014785979 /nfs/dbraw/zinc/78/59/79/1014785979.db2.gz GTIAUMFICGCBGJ-QMMMGPOBSA-N -1 0 323.353 -0.690 20 0 DBADRM C[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)CCS1(=O)=O ZINC001362896498 981978572 /nfs/dbraw/zinc/97/85/72/981978572.db2.gz BLFVIGAXUKVOTI-SECBINFHSA-N -1 0 324.362 -0.328 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CCc2nncn2CC1)c1nnn[n-]1 ZINC001362899299 981981104 /nfs/dbraw/zinc/98/11/04/981981104.db2.gz LYQWNZSLDLWEOK-RKDXNWHRSA-N -1 0 306.330 -0.752 20 0 DBADRM C[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC[S@]1=O ZINC001362898110 981981146 /nfs/dbraw/zinc/98/11/46/981981146.db2.gz GROTWKVVAARANH-AOUSDQRYSA-N -1 0 316.383 -0.161 20 0 DBADRM C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362902670 981983599 /nfs/dbraw/zinc/98/35/99/981983599.db2.gz DWXAMGSDHKZOCL-ZETCQYMHSA-N -1 0 315.330 -0.281 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)nn1 ZINC001362901614 981983748 /nfs/dbraw/zinc/98/37/48/981983748.db2.gz CGWWUSFGMLKMGY-UWVGGRQHSA-N -1 0 320.357 -0.674 20 0 DBADRM COC[C@H](NC(=O)[C@H](O)c1ccccc1OC)c1nnn[n-]1 ZINC001362901039 981983929 /nfs/dbraw/zinc/98/39/29/981983929.db2.gz PIZSZKRTKQGBAH-GXSJLCMTSA-N -1 0 307.310 -0.254 20 0 DBADRM CCC(=O)N1CCC[C@@H](C(=O)N[C@H](COC)c2nnn[n-]2)C1 ZINC001362904281 981986779 /nfs/dbraw/zinc/98/67/79/981986779.db2.gz AGNQGWPZNGRDQY-NXEZZACHSA-N -1 0 310.358 -0.348 20 0 DBADRM C[C@]1(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)CCC(=O)NC1 ZINC001362910162 981994034 /nfs/dbraw/zinc/99/40/34/981994034.db2.gz ZJQPKUGADYZLKU-YGRLFVJLSA-N -1 0 306.370 -0.103 20 0 DBADRM COC[C@@H](NC(=O)c1ccnn1CC(F)F)c1nnn[n-]1 ZINC001362911547 981997177 /nfs/dbraw/zinc/99/71/77/981997177.db2.gz SZSIFMFQKSVHOJ-ZCFIWIBFSA-N -1 0 301.257 -0.221 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)Cc2nnc3n2CCNC3=O)c1[O-] ZINC001362913751 981998261 /nfs/dbraw/zinc/99/82/61/981998261.db2.gz ZYSUTWOPXZYIBU-UHFFFAOYSA-N -1 0 305.298 -0.969 20 0 DBADRM CC(C)OC[C@@H](CO)N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362925155 982004799 /nfs/dbraw/zinc/00/47/99/982004799.db2.gz RXNPAVXZOQZTMM-SNVBAGLBSA-N -1 0 316.358 -0.286 20 0 DBADRM Cc1nc([C@@](C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C2CC2)no1 ZINC001362937885 982013673 /nfs/dbraw/zinc/01/36/73/982013673.db2.gz NQUZMCFEJNJHCM-LBPRGKRZSA-N -1 0 308.298 -0.178 20 0 DBADRM C[C@@H](O)CN(CC(F)F)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001362944641 982017850 /nfs/dbraw/zinc/01/78/50/982017850.db2.gz PKHGTNYIQZCFCD-SSDOTTSWSA-N -1 0 315.280 -0.454 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC001362947602 982020920 /nfs/dbraw/zinc/02/09/20/982020920.db2.gz FOILWGFRHXASQZ-SSDOTTSWSA-N -1 0 321.380 -0.758 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ncc(C(N)=O)cc1Cl ZINC001362947895 982021847 /nfs/dbraw/zinc/02/18/47/982021847.db2.gz IRYWBRLBAQCZGC-UHFFFAOYSA-N -1 0 311.685 -0.218 20 0 DBADRM CO[C@@H]1CCC[C@@H]([C@H](CO)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001362959241 982027708 /nfs/dbraw/zinc/02/77/08/982027708.db2.gz VAXMUWRZGUZAGR-BBBLOLIVSA-N -1 0 314.342 -0.628 20 0 DBADRM C[C@H]1CS(=O)(=O)CCCN1C(=O)CCCc1nnn[n-]1 ZINC001362964104 982032356 /nfs/dbraw/zinc/03/23/56/982032356.db2.gz FYTKIEAHOJUPMM-VIFPVBQESA-N -1 0 301.372 -0.442 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@@H](n2cncn2)C1 ZINC001362966499 982035197 /nfs/dbraw/zinc/03/51/97/982035197.db2.gz ATUFSZMOCPHIKG-SECBINFHSA-N -1 0 307.314 -0.465 20 0 DBADRM Cc1nc2cc[n-]n2c(=O)c1CC(=O)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001362978235 982044200 /nfs/dbraw/zinc/04/42/00/982044200.db2.gz KCEVIXILKFNDPA-GDNZZTSVSA-N -1 0 302.334 -0.430 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)CCc3nnn[n-]3)[C@H]2C1 ZINC001362982575 982044784 /nfs/dbraw/zinc/04/47/84/982044784.db2.gz RJZMVTLYPHABQX-SRVKXCTJSA-N -1 0 306.370 -0.105 20 0 DBADRM CSCC[C@H](NC(=O)[C@@]1(C)C[C@H](O)CN1C)c1nnn[n-]1 ZINC001363001943 982058030 /nfs/dbraw/zinc/05/80/30/982058030.db2.gz SXXOIZFLZOCYJQ-HOTUBEGUSA-N -1 0 314.415 -0.435 20 0 DBADRM CC1(C)[C@H](N2CCOCC2)C[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001363000015 982058559 /nfs/dbraw/zinc/05/85/59/982058559.db2.gz GZKMIKGDGQBANP-DTWKUNHWSA-N -1 0 323.353 -0.488 20 0 DBADRM COCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1OC ZINC001489502176 1014796871 /nfs/dbraw/zinc/79/68/71/1014796871.db2.gz OWPGVSQEPDRQLW-RKDXNWHRSA-N -1 0 312.326 -0.974 20 0 DBADRM Cc1nccn1CCCC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363025540 982080655 /nfs/dbraw/zinc/08/06/55/982080655.db2.gz CGIBXMLPQFIREZ-UHFFFAOYSA-N -1 0 319.369 -0.005 20 0 DBADRM Cn1nccc1[C@H]1CN(C(=O)CCCc2nnn[n-]2)CCO1 ZINC001363026708 982083598 /nfs/dbraw/zinc/08/35/98/982083598.db2.gz FNIMENVUNVGEAK-LLVKDONJSA-N -1 0 305.342 -0.144 20 0 DBADRM CN(C)c1cccnc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363029175 982083764 /nfs/dbraw/zinc/08/37/64/982083764.db2.gz PCWUVLYQTFEJMI-UHFFFAOYSA-N -1 0 317.353 -0.216 20 0 DBADRM O=C([C@H]1CCCc2nn[nH]c21)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363031481 982087118 /nfs/dbraw/zinc/08/71/18/982087118.db2.gz YNVUXLYXPKMRLI-QMMMGPOBSA-N -1 0 318.341 -0.752 20 0 DBADRM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001363044815 982096966 /nfs/dbraw/zinc/09/69/66/982096966.db2.gz SWTUISMTJLQSEI-RKDXNWHRSA-N -1 0 312.326 -0.397 20 0 DBADRM CNC(=O)NCCC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC001363061805 982110167 /nfs/dbraw/zinc/11/01/67/982110167.db2.gz VMVNMBMSBJJONZ-LLVKDONJSA-N -1 0 303.326 -0.276 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC001363072197 982117348 /nfs/dbraw/zinc/11/73/48/982117348.db2.gz MPIDGGFZJMLJQC-LLVKDONJSA-N -1 0 319.321 -0.432 20 0 DBADRM COC(=O)[C@@H](O)CCNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001363081595 982122492 /nfs/dbraw/zinc/12/24/92/982122492.db2.gz YGWQZLPMSJCZJD-NSHDSACASA-N -1 0 313.354 -0.585 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@@H](C(=O)NCCc2nc(=O)o[n-]2)C1 ZINC001363093848 982131844 /nfs/dbraw/zinc/13/18/44/982131844.db2.gz VFQMXKOWGCJRBV-SNVBAGLBSA-N -1 0 320.309 -0.743 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001363094075 982132948 /nfs/dbraw/zinc/13/29/48/982132948.db2.gz VRUAOVOWYCYQON-QMMMGPOBSA-N -1 0 310.310 -0.682 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@@H](CCSC)c1nnn[n-]1 ZINC001363098170 982134651 /nfs/dbraw/zinc/13/46/51/982134651.db2.gz DTKJNZFUZWVIIZ-QMMMGPOBSA-N -1 0 321.428 -0.065 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001363097326 982135449 /nfs/dbraw/zinc/13/54/49/982135449.db2.gz WGNXBLFJXYXOIE-MYJAWHEDSA-N -1 0 302.290 -0.254 20 0 DBADRM CCCN1C[C@@H](C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CC1=O ZINC001363114703 982147727 /nfs/dbraw/zinc/14/77/27/982147727.db2.gz YUYUJZVTDMVLQZ-ZETCQYMHSA-N -1 0 315.355 -0.595 20 0 DBADRM Cc1nc(C)c(CC(=O)N2CCOC[C@H]2c2nnn[n-]2)c(=O)[nH]1 ZINC001363115803 982150215 /nfs/dbraw/zinc/15/02/15/982150215.db2.gz FXLQWIPLMMEVDO-JTQLQIEISA-N -1 0 319.325 -0.545 20 0 DBADRM O=C([C@H]1CCCc2n[nH]cc21)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363117665 982150407 /nfs/dbraw/zinc/15/04/07/982150407.db2.gz YNNSTXNJYBVQRS-GZMMTYOYSA-N -1 0 303.326 -0.057 20 0 DBADRM CCO[C@H](C(=O)N1CCOC[C@@H]1c1nnn[n-]1)[C@@H]1CCOC1 ZINC001363117440 982150506 /nfs/dbraw/zinc/15/05/06/982150506.db2.gz WZSTYTJDKPWHIL-MXWKQRLJSA-N -1 0 311.342 -0.459 20 0 DBADRM CC/C=C(/C)C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001530836662 1014805474 /nfs/dbraw/zinc/80/54/74/1014805474.db2.gz FJTYXKJBVOCPLJ-YWEYNIOJSA-N -1 0 321.337 -0.173 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1cc(N2CCOCC2)ccn1 ZINC001363134692 982159034 /nfs/dbraw/zinc/15/90/34/982159034.db2.gz FSVZMULMZHRWOC-UHFFFAOYSA-N -1 0 319.321 -0.133 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(C(=O)c2ccco2)C1 ZINC001530845600 1014807156 /nfs/dbraw/zinc/80/71/56/1014807156.db2.gz OOLOBFPCUSYFIM-UHFFFAOYSA-N -1 0 321.293 -0.829 20 0 DBADRM O=C(CNC(=O)c1ccccc1Cl)Nn1c(=O)[n-][nH]c1=O ZINC001363137934 982165342 /nfs/dbraw/zinc/16/53/42/982165342.db2.gz LUFXRNJDGVFXIU-UHFFFAOYSA-N -1 0 311.685 -0.157 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccsc1S(N)(=O)=O ZINC001363140563 982168105 /nfs/dbraw/zinc/16/81/05/982168105.db2.gz IZRUUTIYFLZKSJ-UHFFFAOYSA-N -1 0 318.336 -0.656 20 0 DBADRM COc1cc(COCC(=O)N(C)Cc2nc(=O)o[n-]2)ccn1 ZINC001363143511 982172561 /nfs/dbraw/zinc/17/25/61/982172561.db2.gz YAQQPOIYXOUYNK-UHFFFAOYSA-N -1 0 308.294 -0.058 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(CC(=O)Nn2c(=O)[n-][nH]c2=O)C1 ZINC001363143077 982173044 /nfs/dbraw/zinc/17/30/44/982173044.db2.gz ZVKCSXZTHJLJPD-MRVPVSSYSA-N -1 0 313.314 -0.966 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCCC[C@@H]1CN1CCCC1=O ZINC001363147763 982177193 /nfs/dbraw/zinc/17/71/93/982177193.db2.gz CXCCIGJHJNVDIE-SECBINFHSA-N -1 0 321.337 -0.100 20 0 DBADRM C[C@H](C(=O)NCc1nc([O-])cc(=O)[nH]1)[C@@H](C)S(C)(=O)=O ZINC001363150100 982180501 /nfs/dbraw/zinc/18/05/01/982180501.db2.gz LXTKSCAZPQXADC-NKWVEPMBSA-N -1 0 303.340 -0.427 20 0 DBADRM CN1C(=O)CN=C1NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001363154901 982185091 /nfs/dbraw/zinc/18/50/91/982185091.db2.gz RVADSOHNZWREGM-UHFFFAOYSA-N -1 0 311.323 -0.989 20 0 DBADRM C[C@@H](O)[C@H](O)CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC001363164734 982190708 /nfs/dbraw/zinc/19/07/08/982190708.db2.gz JIAXEDGTIUVCQI-RDDDGLTNSA-N -1 0 320.342 -0.331 20 0 DBADRM CN(CCNC(=O)CCCn1c(=O)[n-][nH]c1=O)CC(F)F ZINC001363173470 982196711 /nfs/dbraw/zinc/19/67/11/982196711.db2.gz OVTWACRUSQGGJK-UHFFFAOYSA-N -1 0 307.301 -0.217 20 0 DBADRM CNC(=O)NC[C@H]1CCCCN1C(=O)CCCc1nnn[n-]1 ZINC001363173705 982197105 /nfs/dbraw/zinc/19/71/05/982197105.db2.gz LGVZNADHEVZDIW-SNVBAGLBSA-N -1 0 309.374 -0.168 20 0 DBADRM CC[C@](COC)(NC(=O)CSc1n[nH]c(=O)[n-]1)C(=O)OC ZINC001363182398 982203951 /nfs/dbraw/zinc/20/39/51/982203951.db2.gz BTFCLTRFGBAQKO-LLVKDONJSA-N -1 0 318.355 -0.313 20 0 DBADRM COc1c[nH]c(C(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1=O ZINC001363203006 982218697 /nfs/dbraw/zinc/21/86/97/982218697.db2.gz GKWTZNJHRWZQGT-QMMMGPOBSA-N -1 0 306.282 -0.890 20 0 DBADRM Cc1ccn(C[C@H](C)C(=O)N2CCOC[C@H]2c2nnn[n-]2)n1 ZINC001363202630 982220605 /nfs/dbraw/zinc/22/06/05/982220605.db2.gz DKCHHIDZOLQGIL-ONGXEEELSA-N -1 0 305.342 -0.059 20 0 DBADRM Cc1cc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)ncc1C(N)=O ZINC001363204477 982222539 /nfs/dbraw/zinc/22/25/39/982222539.db2.gz OVTCVJQUMKGJMB-SNVBAGLBSA-N -1 0 317.309 -0.784 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC001363209885 982227159 /nfs/dbraw/zinc/22/71/59/982227159.db2.gz USJMIUUSAYCKMB-CABZTGNLSA-N -1 0 308.342 -0.972 20 0 DBADRM CCN1CC[C@@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C1=O ZINC001363240029 982252459 /nfs/dbraw/zinc/25/24/59/982252459.db2.gz JYWTUHZMAMCJMF-LLVKDONJSA-N -1 0 315.337 -0.575 20 0 DBADRM CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001530931509 1014818748 /nfs/dbraw/zinc/81/87/48/1014818748.db2.gz VURNIUVDMYVJBF-IUCAKERBSA-N -1 0 321.337 -0.102 20 0 DBADRM COC(=O)C1=NO[C@@]2(CCN(C(=O)CCCc3nnn[n-]3)C2)C1 ZINC001363264415 982285848 /nfs/dbraw/zinc/28/58/48/982285848.db2.gz CTTZHUYWGPFNEX-ZDUSSCGKSA-N -1 0 322.325 -0.557 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CC[C@](CO)(COC)C1)C(=O)[O-] ZINC001594891750 982291468 /nfs/dbraw/zinc/29/14/68/982291468.db2.gz MJXYCYDFUFQAOV-WHOFXGATSA-N -1 0 316.398 -0.067 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)CCCF)[C@@H](O)C2)c1[O-] ZINC001489612343 1014823280 /nfs/dbraw/zinc/82/32/80/1014823280.db2.gz DUNWMFMDVHVOEO-BDAKNGLRSA-N -1 0 314.317 -0.525 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)c1nc2n(n1)CCCN2 ZINC001363277215 982299313 /nfs/dbraw/zinc/29/93/13/982299313.db2.gz RKMIYSNPMGMRJI-UHFFFAOYSA-N -1 0 305.346 -0.837 20 0 DBADRM CN(C)c1noc(CCC(=O)NC2(c3nnn[n-]3)CCC2)n1 ZINC001363277074 982301264 /nfs/dbraw/zinc/30/12/64/982301264.db2.gz JHOXVBCNYLUMSL-UHFFFAOYSA-N -1 0 306.330 -0.223 20 0 DBADRM Cc1nc(C(=O)N2CCC(c3nnn[n-]3)CC2)c(=O)[nH]c1C ZINC001363281091 982302933 /nfs/dbraw/zinc/30/29/33/982302933.db2.gz FFLXTMUWSBJSNX-UHFFFAOYSA-N -1 0 303.326 -0.080 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](O)C[C@H]1C(=O)OC)C(=O)[O-] ZINC001594893731 982310591 /nfs/dbraw/zinc/31/05/91/982310591.db2.gz XDTOMZVCOGGCTK-GMOBBJLQSA-N -1 0 316.354 -0.790 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CN1CC[C@H](c2nn[nH]n2)C1 ZINC001363292836 982316296 /nfs/dbraw/zinc/31/62/96/982316296.db2.gz UHFMNJOCRUVMNH-VIFPVBQESA-N -1 0 309.374 -0.980 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@H](CCCO)C1 ZINC001363308338 982330438 /nfs/dbraw/zinc/33/04/38/982330438.db2.gz BNUNVZUPBZUFTQ-JTQLQIEISA-N -1 0 305.338 -0.308 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)c([O-])c2)C[C@H]1C(N)=O ZINC001363314858 982333103 /nfs/dbraw/zinc/33/31/03/982333103.db2.gz MGHLHDQSHQPWLD-HTQZYQBOSA-N -1 0 311.725 -0.296 20 0 DBADRM O=C(NCCn1ccc(C(F)(F)F)n1)c1n[nH]c(=O)[n-]c1=O ZINC001363315048 982334845 /nfs/dbraw/zinc/33/48/45/982334845.db2.gz XHVFAGJBRGZKNR-UHFFFAOYSA-N -1 0 318.215 -0.072 20 0 DBADRM Cn1nnc(C(=O)NCc2nc([O-])cc(=O)[nH]2)c1C(F)(F)F ZINC001363328915 982343727 /nfs/dbraw/zinc/34/37/27/982343727.db2.gz OZBJNQUPGNUUAO-UHFFFAOYSA-N -1 0 318.215 -0.035 20 0 DBADRM CN1C[C@H](C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)NC1=O ZINC001363343723 982354623 /nfs/dbraw/zinc/35/46/23/982354623.db2.gz IMHFMYVOVPINFH-ZJUUUORDSA-N -1 0 301.310 -0.571 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@@H]1CCCS1(=O)=O ZINC001363354718 982360253 /nfs/dbraw/zinc/36/02/53/982360253.db2.gz JBNMJWXNNZQEEZ-VIFPVBQESA-N -1 0 301.372 -0.239 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C(=O)O1 ZINC001363372987 982366987 /nfs/dbraw/zinc/36/69/87/982366987.db2.gz DYSVVWBKYZTQKL-XCBNKYQSSA-N -1 0 302.294 -0.491 20 0 DBADRM Cc1cc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc(=O)[nH]1 ZINC001363394048 982384628 /nfs/dbraw/zinc/38/46/28/982384628.db2.gz ZBSBZKRYDQDKFJ-UHFFFAOYSA-N -1 0 314.305 -0.203 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001363401861 982390717 /nfs/dbraw/zinc/39/07/17/982390717.db2.gz UMQCZCYUUPOBCV-QWRGUYRKSA-N -1 0 324.385 -0.886 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363406546 982395849 /nfs/dbraw/zinc/39/58/49/982395849.db2.gz BQDAWVDHVHFODU-VIFPVBQESA-N -1 0 317.371 -0.686 20 0 DBADRM CN(C)c1ccnc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)c1 ZINC001363409908 982396569 /nfs/dbraw/zinc/39/65/69/982396569.db2.gz ISSINWLRWZBYBC-NSHDSACASA-N -1 0 303.326 -0.126 20 0 DBADRM COC[C@H](NC(=O)CN1CCCCCCC1=O)c1nnn[n-]1 ZINC001363410702 982396822 /nfs/dbraw/zinc/39/68/22/982396822.db2.gz FNMHVRNOFALMOB-JTQLQIEISA-N -1 0 310.358 -0.204 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)ccn1 ZINC001363410614 982397014 /nfs/dbraw/zinc/39/70/14/982397014.db2.gz LXRAJBIPPOWXCZ-SNVBAGLBSA-N -1 0 318.293 -0.405 20 0 DBADRM COc1cccc([C@H](O)C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1 ZINC001363412837 982398557 /nfs/dbraw/zinc/39/85/57/982398557.db2.gz WLAGRRPHPKYVIA-NEPJUHHUSA-N -1 0 319.321 -0.158 20 0 DBADRM COC[C@@H](NC(=O)CCn1c(C)csc1=O)c1nnn[n-]1 ZINC001363410878 982398793 /nfs/dbraw/zinc/39/87/93/982398793.db2.gz GJVDQOGLLILDNC-MRVPVSSYSA-N -1 0 312.355 -0.375 20 0 DBADRM COC[C@H](NC(=O)c1cc(C(F)F)n(C)n1)c1nnn[n-]1 ZINC001363414776 982400105 /nfs/dbraw/zinc/40/01/05/982400105.db2.gz MDKCTZSJJSFHCR-LURJTMIESA-N -1 0 301.257 -0.012 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CCCc2nn(C)cc21)c1nnn[n-]1 ZINC001363414098 982400295 /nfs/dbraw/zinc/40/02/95/982400295.db2.gz KQCAECQPFMYTLA-GZMMTYOYSA-N -1 0 305.342 -0.143 20 0 DBADRM C[N@H+](CC(=O)N1CCC[C@H](Cc2nnn[n-]2)C1)[C@@H]1CCC[C@H]1O ZINC001363429959 982406231 /nfs/dbraw/zinc/40/62/31/982406231.db2.gz FJWHZUCEARRUCV-JHJVBQTASA-N -1 0 322.413 -0.174 20 0 DBADRM COC[C@H](NC(=O)COCc1cc[nH]c(=O)c1)c1nnn[n-]1 ZINC001363429020 982406334 /nfs/dbraw/zinc/40/63/34/982406334.db2.gz CSRPIXSCDJVESS-VIFPVBQESA-N -1 0 308.298 -0.679 20 0 DBADRM COC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001363438811 982413266 /nfs/dbraw/zinc/41/32/66/982413266.db2.gz VEILTSCEDRTIQJ-JGVFFNPUSA-N -1 0 314.346 -0.083 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CCO1 ZINC001363443561 982415378 /nfs/dbraw/zinc/41/53/78/982415378.db2.gz OSVOBZOMTXKHOM-RKDXNWHRSA-N -1 0 300.315 -0.922 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@H](N2CCCC2=O)CC1 ZINC001363445753 982418301 /nfs/dbraw/zinc/41/83/01/982418301.db2.gz KLSHLNGBRNLXDI-VIFPVBQESA-N -1 0 321.337 -0.100 20 0 DBADRM O=C(NC[C@@H]1CNC(=O)C1)c1nc[n-]c(=O)c1Br ZINC001363443727 982418362 /nfs/dbraw/zinc/41/83/62/982418362.db2.gz VPICATSRLKFICW-YFKPBYRVSA-N -1 0 315.127 -0.189 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001363449611 982419429 /nfs/dbraw/zinc/41/94/29/982419429.db2.gz IDARZGIISJWYTK-UHFFFAOYSA-N -1 0 304.262 -0.034 20 0 DBADRM NC(=O)C[C@@H]1COCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001363453923 982426136 /nfs/dbraw/zinc/42/61/36/982426136.db2.gz KSWUBAOGQAVLOV-SSDOTTSWSA-N -1 0 306.278 -0.355 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1CC(c2ccccn2)=NO1 ZINC001363454518 982427257 /nfs/dbraw/zinc/42/72/57/982427257.db2.gz XEEOQPQGHNWPMX-JTQLQIEISA-N -1 0 303.278 -0.091 20 0 DBADRM Cc1ccnc(NC(=O)CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001363477948 982443571 /nfs/dbraw/zinc/44/35/71/982443571.db2.gz XLLNXGFVEHQVPJ-UHFFFAOYSA-N -1 0 320.309 -0.510 20 0 DBADRM CO[C@@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)[C@@H]1CCOC1 ZINC001363481276 982445389 /nfs/dbraw/zinc/44/53/89/982445389.db2.gz ATHRJVHGIWCRCS-ZJUUUORDSA-N -1 0 314.342 -0.363 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@H](CO)[C@@H](O)C1CCCCC1 ZINC001363493234 982455197 /nfs/dbraw/zinc/45/51/97/982455197.db2.gz BZUDFOQAONXOPG-RISCZKNCSA-N -1 0 311.386 -0.059 20 0 DBADRM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)[C@@H]1CCOC(=O)N1 ZINC001363496563 982457927 /nfs/dbraw/zinc/45/79/27/982457927.db2.gz QGBNTLGTAFUBNU-VHSXEESVSA-N -1 0 302.294 -0.096 20 0 DBADRM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1cc(F)cc(F)c1[O-] ZINC001363498733 982459606 /nfs/dbraw/zinc/45/96/06/982459606.db2.gz QHFVWDIOMYHJSZ-RKDXNWHRSA-N -1 0 307.274 -0.442 20 0 DBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H]1CCCC[C@H]1O ZINC001363507679 982470637 /nfs/dbraw/zinc/47/06/37/982470637.db2.gz HFLFCPDJECYASM-GHMZBOCLSA-N -1 0 305.338 -0.167 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363512385 982474825 /nfs/dbraw/zinc/47/48/25/982474825.db2.gz MPCQZNIUQBXXLL-SNVBAGLBSA-N -1 0 321.341 -0.471 20 0 DBADRM Cc1noc(CCCC(=O)N2CCOC[C@@H]2c2nnn[n-]2)n1 ZINC001363514500 982476878 /nfs/dbraw/zinc/47/68/78/982476878.db2.gz SYKNDQCSMFHKQC-SECBINFHSA-N -1 0 307.314 -0.186 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363522881 982483476 /nfs/dbraw/zinc/48/34/76/982483476.db2.gz GYGYHIGBZVZZQZ-SNVBAGLBSA-N -1 0 308.342 -0.845 20 0 DBADRM O=C(N[C@@H]1C[C@@H](O)[C@@H](O)C1)c1nc[n-]c(=O)c1Br ZINC001363525762 982487273 /nfs/dbraw/zinc/48/72/73/982487273.db2.gz KLEAFJHCHATANB-STNDOWJSSA-N -1 0 318.127 -0.441 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC001363528864 982488517 /nfs/dbraw/zinc/48/85/17/982488517.db2.gz KFKNDOBCOKAMLN-MWLCHTKSSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)O2)[C@H]1C ZINC001363533922 982491932 /nfs/dbraw/zinc/49/19/32/982491932.db2.gz VRDZRQZPWAALRE-PJPCKVBYSA-N -1 0 324.337 -0.015 20 0 DBADRM CSCC[C@H](NC(=O)[C@]1(O)CCSC1)c1nnn[n-]1 ZINC001363536342 982493716 /nfs/dbraw/zinc/49/37/16/982493716.db2.gz OMNTVQJGHFQIKQ-XVKPBYJWSA-N -1 0 303.413 -0.022 20 0 DBADRM CO[C@]1(C(F)(F)F)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001363538988 982494814 /nfs/dbraw/zinc/49/48/14/982494814.db2.gz KVAZDSISKIECLB-SECBINFHSA-N -1 0 310.232 -0.131 20 0 DBADRM O=C(NCc1nnc2n1CCNC2=O)c1cc(F)c([O-])c(F)c1 ZINC001363544391 982500159 /nfs/dbraw/zinc/50/01/59/982500159.db2.gz HKYODAGDAKNFOX-UHFFFAOYSA-N -1 0 323.259 -0.065 20 0 DBADRM NC(=O)CN(C(=O)c1c[n-]n2c1nccc2=O)C1CCOCC1 ZINC001363549896 982504546 /nfs/dbraw/zinc/50/45/46/982504546.db2.gz YFYHFIXWKJFOFF-UHFFFAOYSA-N -1 0 319.321 -0.871 20 0 DBADRM Cn1ccnc1C1(O)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001363555434 982507403 /nfs/dbraw/zinc/50/74/03/982507403.db2.gz XBGFJVXTUQPIOB-UHFFFAOYSA-N -1 0 320.309 -0.860 20 0 DBADRM O=C(NC[C@H]1C[C@@H](O)C1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001363557005 982509090 /nfs/dbraw/zinc/50/90/90/982509090.db2.gz GMGBCSSLBZHSHX-DKTWLAJQSA-N -1 0 304.306 -0.233 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC001363573744 982515893 /nfs/dbraw/zinc/51/58/93/982515893.db2.gz UHVNLVZNBWVAPG-UHFFFAOYSA-N -1 0 318.289 -0.010 20 0 DBADRM Cn1[n-]c(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1=O ZINC001363572480 982516484 /nfs/dbraw/zinc/51/64/84/982516484.db2.gz HLSZXYUKEUXTMP-SNVBAGLBSA-N -1 0 308.338 -0.365 20 0 DBADRM COC[C@@H](NC(=O)Cc1ccc(C(=O)OC)nc1)c1nnn[n-]1 ZINC001363582372 982521308 /nfs/dbraw/zinc/52/13/08/982521308.db2.gz ACZKKNFKSUPZPT-SNVBAGLBSA-N -1 0 320.309 -0.572 20 0 DBADRM O=C([C@@H]1CSCC(=O)N1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001363584868 982521460 /nfs/dbraw/zinc/52/14/60/982521460.db2.gz OPQMBRNPARZMSM-BDAKNGLRSA-N -1 0 310.383 -0.788 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CCCN(CC(F)F)C1)c1nnn[n-]1 ZINC001363586713 982523279 /nfs/dbraw/zinc/52/32/79/982523279.db2.gz KWJBWBMYNCKAMU-IUCAKERBSA-N -1 0 318.328 -0.020 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1CC(=O)N[C@@H](COC)c1nnn[n-]1 ZINC001363586603 982523575 /nfs/dbraw/zinc/52/35/75/982523575.db2.gz KKUSFKOYSWUPKT-OUAUKWLOSA-N -1 0 313.358 -0.165 20 0 DBADRM COC[C@@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)c1nnn[n-]1 ZINC001363589853 982526042 /nfs/dbraw/zinc/52/60/42/982526042.db2.gz QIGIBVSQNHZDEV-MRVPVSSYSA-N -1 0 305.298 -0.310 20 0 DBADRM CCc1nc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c[nH]1 ZINC001363594250 982530822 /nfs/dbraw/zinc/53/08/22/982530822.db2.gz CQBULFJGIRZEOT-UHFFFAOYSA-N -1 0 301.310 -0.327 20 0 DBADRM COC[C@H]1COCCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363594301 982530965 /nfs/dbraw/zinc/53/09/65/982530965.db2.gz HJRDAWWITMRJCM-LBPRGKRZSA-N -1 0 318.337 -0.438 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CC(=O)NC[C@H]1c1ccccc1 ZINC001363597415 982532488 /nfs/dbraw/zinc/53/24/88/982532488.db2.gz QFASXZFPEPJAMJ-NSHDSACASA-N -1 0 300.322 -0.168 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOc2ccccc2[C@H]1CO ZINC001363626189 982542294 /nfs/dbraw/zinc/54/22/94/982542294.db2.gz GFMGAFVKMFTURD-SNVBAGLBSA-N -1 0 320.305 -0.356 20 0 DBADRM Cc1c[nH]c(C2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CCOCC2)n1 ZINC001363633231 982544643 /nfs/dbraw/zinc/54/46/43/982544643.db2.gz QNVGVYSFPHZXPB-UHFFFAOYSA-N -1 0 322.325 -0.457 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)CCS1(=O)=O ZINC001363635221 982546704 /nfs/dbraw/zinc/54/67/04/982546704.db2.gz XGKYVMJJNBRSOZ-IUCAKERBSA-N -1 0 324.362 -0.282 20 0 DBADRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cn1cnnn1 ZINC001363648905 982552707 /nfs/dbraw/zinc/55/27/07/982552707.db2.gz YWJMNVSZWMZOGN-YUMQZZPRSA-N -1 0 320.275 -0.269 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCC(c3nnn[n-]3)CC2)c(=O)n1 ZINC001363663378 982559728 /nfs/dbraw/zinc/55/97/28/982559728.db2.gz WUTSSUSUJRMAJH-UHFFFAOYSA-N -1 0 317.353 -0.221 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@H](C)c1nn(C)cc1[O-] ZINC001363663751 982559900 /nfs/dbraw/zinc/55/99/00/982559900.db2.gz IXUKCOPTTXSLLR-MRVPVSSYSA-N -1 0 305.356 -0.636 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCC2N=NC(=O)N2C1)c1nn(C)cc1[O-] ZINC001363662044 982560124 /nfs/dbraw/zinc/56/01/24/982560124.db2.gz HGYJZMYHWMTHHS-HTQZYQBOSA-N -1 0 306.326 -0.137 20 0 DBADRM C[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)c1nn(C)cc1[O-] ZINC001363668649 982562816 /nfs/dbraw/zinc/56/28/16/982562816.db2.gz URKISWZRRKYZCE-ZETCQYMHSA-N -1 0 304.372 -0.369 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCO[C@@H]2COCC[C@@H]21 ZINC001363703338 982579357 /nfs/dbraw/zinc/57/93/57/982579357.db2.gz MOOLACGODHGJAE-WDEREUQCSA-N -1 0 304.306 -0.348 20 0 DBADRM Cn1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c(Cl)n1 ZINC001363707729 982580533 /nfs/dbraw/zinc/58/05/33/982580533.db2.gz MUZOVIKZQCHKOV-UHFFFAOYSA-N -1 0 304.719 -0.153 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(c3nnc(C)n3C)CC2)c1[O-] ZINC001363719755 982588204 /nfs/dbraw/zinc/58/82/04/982588204.db2.gz TWKLVLBBNJDXRJ-UHFFFAOYSA-N -1 0 305.342 -0.177 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCc2ccccc2NC1=O ZINC001363722117 982589206 /nfs/dbraw/zinc/58/92/06/982589206.db2.gz SPANEOOTOCRTNR-JTQLQIEISA-N -1 0 317.305 -0.241 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H](O)CC2(CCOCC2)C1 ZINC001363722778 982589391 /nfs/dbraw/zinc/58/93/91/982589391.db2.gz QYOCANWIVDJYDF-SECBINFHSA-N -1 0 312.326 -0.921 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(C)C ZINC001363729504 982591581 /nfs/dbraw/zinc/59/15/81/982591581.db2.gz LNLLRPLBCYAEKM-DCXZOGHSSA-N -1 0 315.417 -0.407 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N(C)Cc1n[n-]c(=O)o1 ZINC001363735261 982598068 /nfs/dbraw/zinc/59/80/68/982598068.db2.gz OMEXNSCTJYXRHU-QMMMGPOBSA-N -1 0 306.344 -0.693 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CCS(C)(=O)=O ZINC001363751980 982607674 /nfs/dbraw/zinc/60/76/74/982607674.db2.gz ORCMOJJGSPZXMC-KRWDZBQOSA-N -1 0 320.458 -0.238 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001363765266 982617463 /nfs/dbraw/zinc/61/74/63/982617463.db2.gz PZZSSTZMOQJUPJ-MRVPVSSYSA-N -1 0 308.385 -0.888 20 0 DBADRM COC(=O)c1cnn(CC(=O)NC2(c3nnn[n-]3)CCC2)c1 ZINC001363822391 982658369 /nfs/dbraw/zinc/65/83/69/982658369.db2.gz REDPRCAXFBAYJQ-UHFFFAOYSA-N -1 0 305.298 -0.622 20 0 DBADRM COCC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1cccnc1 ZINC001363827257 982661723 /nfs/dbraw/zinc/66/17/23/982661723.db2.gz GEGPZWRJPIEYHT-JTQLQIEISA-N -1 0 307.310 -0.022 20 0 DBADRM Cc1nnc(CN2CCN(S(=O)(=O)c3ncc[n-]3)CC2)[nH]1 ZINC001363829254 982662076 /nfs/dbraw/zinc/66/20/76/982662076.db2.gz AVMLCRUWKPDKSJ-UHFFFAOYSA-N -1 0 311.371 -0.657 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ncc[n-]1 ZINC001363833601 982664985 /nfs/dbraw/zinc/66/49/85/982664985.db2.gz HJHWIMZPYNIXHD-IUCAKERBSA-N -1 0 303.340 -0.249 20 0 DBADRM C[C@@H](NC(=O)C[C@]1(C)CCS(=O)(=O)N1)c1nn(C)cc1[O-] ZINC001363842035 982670638 /nfs/dbraw/zinc/67/06/38/982670638.db2.gz SOGLTXWEERBYCI-PELKAZGASA-N -1 0 316.383 -0.225 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001363844238 982670676 /nfs/dbraw/zinc/67/06/76/982670676.db2.gz WUQPJEAOWMPYCI-MRVPVSSYSA-N -1 0 314.385 -0.993 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1cccc2c1OCCO2 ZINC001363846269 982672222 /nfs/dbraw/zinc/67/22/22/982672222.db2.gz CPDVDDPRSDCPAP-UHFFFAOYSA-N -1 0 306.278 -0.223 20 0 DBADRM Nc1nc2nc(CN3CCO[C@]4(CCCOC4)C3)cc(=O)n2[n-]1 ZINC001363880526 982688297 /nfs/dbraw/zinc/68/82/97/982688297.db2.gz SRUOZPTVMXQJFS-CQSZACIVSA-N -1 0 320.353 -0.619 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H]1CC12CC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001531518557 1014869334 /nfs/dbraw/zinc/86/93/34/1014869334.db2.gz MXMOAWOCWYDKKZ-YUMQZZPRSA-N -1 0 321.337 -0.293 20 0 DBADRM C[S@@](=N)(=O)N1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001363894734 982703426 /nfs/dbraw/zinc/70/34/26/982703426.db2.gz HHUUUAPLFFVIOC-FQEVSTJZSA-N -1 0 301.376 -0.742 20 0 DBADRM COC(=O)[C@]12CCC[C@H]1N(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC001363900435 982707319 /nfs/dbraw/zinc/70/73/19/982707319.db2.gz AWHFNVYMMCNFFM-OQPBUACISA-N -1 0 310.310 -0.367 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)c2c[n-]ncc2=O)CC12COC2 ZINC001363897226 982708388 /nfs/dbraw/zinc/70/83/88/982708388.db2.gz MGQVWEOJDQPHKW-JTQLQIEISA-N -1 0 307.306 -0.166 20 0 DBADRM COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)C[C@H]1CCC2(CCC2)O1 ZINC001363941938 982739737 /nfs/dbraw/zinc/73/97/37/982739737.db2.gz PQGHQJZXYOEQAK-ZYHUDNBSSA-N -1 0 321.395 -0.069 20 0 DBADRM O=c1nc(CNS(=O)(=O)C[C@@H]2CC[C@@H](C3CC3)O2)[n-]o1 ZINC001363952054 982745140 /nfs/dbraw/zinc/74/51/40/982745140.db2.gz XALVGBBWVLLRIZ-IUCAKERBSA-N -1 0 303.340 -0.260 20 0 DBADRM CN(C)C(=O)c1c[nH]nc1NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001363964330 982752490 /nfs/dbraw/zinc/75/24/90/982752490.db2.gz GMBLWSRBZWIOKU-UHFFFAOYSA-N -1 0 311.327 -0.334 20 0 DBADRM Cn1ccnc1CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001363964811 982753142 /nfs/dbraw/zinc/75/31/42/982753142.db2.gz VKVNABFBPHPFRU-UHFFFAOYSA-N -1 0 324.362 -0.254 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](CCOC)C(N)=O ZINC001363975122 982759750 /nfs/dbraw/zinc/75/97/50/982759750.db2.gz OXYXBOUNYUSGGM-QMMMGPOBSA-N -1 0 315.417 -0.781 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](CCOC)C(N)=O ZINC001363975110 982759775 /nfs/dbraw/zinc/75/97/75/982759775.db2.gz OXYXBOUNYUSGGM-MRVPVSSYSA-N -1 0 315.417 -0.781 20 0 DBADRM CC[C@H]1CN(S(=O)(=O)c2cc(C(=O)OC)[nH]n2)C[C@@H]1O ZINC001363984023 982765047 /nfs/dbraw/zinc/76/50/47/982765047.db2.gz SUGBHXUAUHXKHK-CBAPKCEASA-N -1 0 303.340 -0.412 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@H](O)[C@@H]1CCCO1 ZINC001364008524 982782447 /nfs/dbraw/zinc/78/24/47/982782447.db2.gz INMNTPJVUWREPG-UWVGGRQHSA-N -1 0 312.413 -0.378 20 0 DBADRM COC(=O)C[C@H](O)C[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001364029557 982799227 /nfs/dbraw/zinc/79/92/27/982799227.db2.gz YVGGEXRTTAZJGK-ZETCQYMHSA-N -1 0 321.307 -0.732 20 0 DBADRM COC[C@H](NC(=O)c1ccc2c(n1)OCCO2)c1nnn[n-]1 ZINC001364037279 982801884 /nfs/dbraw/zinc/80/18/84/982801884.db2.gz UIQXOEKALZIDCZ-QMMMGPOBSA-N -1 0 306.282 -0.517 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)CC2(O)CCOCC2)n[n-]1 ZINC001364051164 982807740 /nfs/dbraw/zinc/80/77/40/982807740.db2.gz WHKUPZMEOUMCTH-UHFFFAOYSA-N -1 0 304.328 -0.922 20 0 DBADRM C[C@]1(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)CCNC(=O)C1 ZINC001364049394 982808415 /nfs/dbraw/zinc/80/84/15/982808415.db2.gz GMMJDRSRAHBHSA-HZMBPMFUSA-N -1 0 306.370 -0.103 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[nH]2)C1 ZINC001364053265 982809917 /nfs/dbraw/zinc/80/99/17/982809917.db2.gz VZXMZMMWIQGVHQ-LLVKDONJSA-N -1 0 307.354 -0.288 20 0 DBADRM CCOC(=O)[C@@H](CSC)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001364058783 982812737 /nfs/dbraw/zinc/81/27/37/982812737.db2.gz WLINUARNUJSMMA-RXMQYKEDSA-N -1 0 302.312 -0.693 20 0 DBADRM CC[C@@H](CS(=O)(=O)N[C@](C)(Cn1cccn1)C(N)=O)OC ZINC001364077792 982819329 /nfs/dbraw/zinc/81/93/29/982819329.db2.gz XMPBNDXWNPIWQJ-CMPLNLGQSA-N -1 0 318.399 -0.529 20 0 DBADRM CC[C@@H](CS(=O)(=O)N[C@@](C)(Cn1cccn1)C(N)=O)OC ZINC001364077794 982819907 /nfs/dbraw/zinc/81/99/07/982819907.db2.gz XMPBNDXWNPIWQJ-JQWIXIFHSA-N -1 0 318.399 -0.529 20 0 DBADRM COC(=O)[C@@H](F)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001364080899 982821296 /nfs/dbraw/zinc/82/12/96/982821296.db2.gz FPNCOQFBFFROOU-ZETCQYMHSA-N -1 0 302.349 -0.406 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](c2ncccn2)C1 ZINC001364111332 982830105 /nfs/dbraw/zinc/83/01/05/982830105.db2.gz SOUAHLDSFWOBNY-SECBINFHSA-N -1 0 304.310 -0.115 20 0 DBADRM CCN1C[C@H](S(=O)(=O)[N-]c2nnn(C(C)C)n2)CC1=O ZINC001364110988 982830565 /nfs/dbraw/zinc/83/05/65/982830565.db2.gz YLUTXSUDUBCBDG-MRVPVSSYSA-N -1 0 302.360 -0.384 20 0 DBADRM C[S@](=O)[C@H]1CC[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001364126148 982835165 /nfs/dbraw/zinc/83/51/65/982835165.db2.gz LQQCZJDEQSUQGV-PCVAMMEBSA-N -1 0 323.378 -0.513 20 0 DBADRM COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)c2n[nH]c(=O)[n-]2)O1 ZINC001364142422 982837957 /nfs/dbraw/zinc/83/79/57/982837957.db2.gz RMLSOPPFPHUVND-IVZWLZJFSA-N -1 0 312.326 -0.455 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC2(CC1)C[C@@H](O)CCO2 ZINC001364221337 982861287 /nfs/dbraw/zinc/86/12/87/982861287.db2.gz PMFMPIOBUAFSDQ-VIFPVBQESA-N -1 0 312.326 -0.778 20 0 DBADRM Cc1[n-][nH]c(=O)c1Sc1nnc(-c2n[nH]c3c2CCC3)n1N ZINC001364278561 982881760 /nfs/dbraw/zinc/88/17/60/982881760.db2.gz HZUIVZHCZGQLSV-VIFPVBQESA-N -1 0 318.366 -0.163 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC000926582094 982910598 /nfs/dbraw/zinc/91/05/98/982910598.db2.gz FTLVSZHHPSWRQI-LLVKDONJSA-N -1 0 308.400 -0.309 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2c[n-]ncc2=O)C1 ZINC001364356584 982935183 /nfs/dbraw/zinc/93/51/83/982935183.db2.gz QZYLJKKQAYOHKF-SECBINFHSA-N -1 0 314.367 -0.416 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 ZINC001364368625 982942250 /nfs/dbraw/zinc/94/22/50/982942250.db2.gz NEFLYJHAPLTPHH-SECBINFHSA-N -1 0 305.346 -0.751 20 0 DBADRM CCO[C@@H]1C[C@@](CO)(NC(=O)N=c2nn[n-]n2CC)C1(C)C ZINC001364369908 982945729 /nfs/dbraw/zinc/94/57/29/982945729.db2.gz QPLOXDWQYKQYCA-RNCFNFMXSA-N -1 0 312.374 -0.198 20 0 DBADRM Cc1c(CCC(=O)N2CCOC[C@H]2c2nnn[n-]2)cnn1C ZINC001364381928 982949773 /nfs/dbraw/zinc/94/97/73/982949773.db2.gz AHVNZKXHEQBOTE-NSHDSACASA-N -1 0 305.342 -0.226 20 0 DBADRM Cn1nc2c(c1C(=O)N1CCOC[C@H]1c1nnn[n-]1)CCC2 ZINC001364382468 982950769 /nfs/dbraw/zinc/95/07/69/982950769.db2.gz FEUGHNFLZMORSH-JTQLQIEISA-N -1 0 303.326 -0.364 20 0 DBADRM O=C([C@@H]1CCc2ncncc2C1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001364384452 982953807 /nfs/dbraw/zinc/95/38/07/982953807.db2.gz VPZMVPPQHPVNRS-BXKDBHETSA-N -1 0 315.337 -0.305 20 0 DBADRM Cc1cc(COCC(=O)N2CCOC[C@@H]2c2nnn[n-]2)no1 ZINC001364382879 982954184 /nfs/dbraw/zinc/95/41/84/982954184.db2.gz LCVYMLOXWCYOEB-SNVBAGLBSA-N -1 0 308.298 -0.387 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCc2nnnn2CC1)c1nn(C)cc1[O-] ZINC001364395775 982958089 /nfs/dbraw/zinc/95/80/89/982958089.db2.gz GDBIPYPKXVQSTR-RKDXNWHRSA-N -1 0 305.342 -0.058 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C(=O)OC ZINC001364439038 982987299 /nfs/dbraw/zinc/98/72/99/982987299.db2.gz IULKTFFOZTVDMM-OCAPTIKFSA-N -1 0 311.294 -0.542 20 0 DBADRM COC(=O)NC1CCN(Cc2cc(=O)n3[n-]c(N)nc3n2)CC1 ZINC001364478443 983015423 /nfs/dbraw/zinc/01/54/23/983015423.db2.gz KIPDDQDVNWJDGH-UHFFFAOYSA-N -1 0 321.341 -0.680 20 0 DBADRM COC(=O)c1cn(C)nc1NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001364485622 983018026 /nfs/dbraw/zinc/01/80/26/983018026.db2.gz SDEZGRXARAFBKN-UHFFFAOYSA-N -1 0 312.311 -0.239 20 0 DBADRM COC(=O)c1cccn(CC(=O)N(C)Cc2n[n-]c(=O)o2)c1=O ZINC001364512140 983030892 /nfs/dbraw/zinc/03/08/92/983030892.db2.gz KKTCATHTAWDFEA-UHFFFAOYSA-N -1 0 322.277 -0.618 20 0 DBADRM COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1c[n-]ncc1=O ZINC001364538736 983046425 /nfs/dbraw/zinc/04/64/25/983046425.db2.gz ZPZCTTQBOHDONA-SECBINFHSA-N -1 0 311.294 -0.393 20 0 DBADRM C[C@H](O)C1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001364548297 983050225 /nfs/dbraw/zinc/05/02/25/983050225.db2.gz HCLGAVAQSRSSMS-QMMMGPOBSA-N -1 0 304.306 -0.281 20 0 DBADRM O=C(NCC1CN(C(=O)[C@H]2CCNC(=O)C2)C1)C(F)(F)F ZINC001364557016 983051435 /nfs/dbraw/zinc/05/14/35/983051435.db2.gz KKUIAIVSJUALTE-QMMMGPOBSA-N -1 0 307.272 -0.351 20 0 DBADRM O=C(C1CC2(C1)CS(=O)(=O)C2)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001364567444 983054417 /nfs/dbraw/zinc/05/44/17/983054417.db2.gz JHALHMJZZJVADK-MRVPVSSYSA-N -1 0 311.367 -0.660 20 0 DBADRM O=C([C@H]1CCc2nnnn2CC1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001364569862 983057295 /nfs/dbraw/zinc/05/72/95/983057295.db2.gz XXGLUQRNNRYURZ-IUCAKERBSA-N -1 0 303.330 -0.845 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@]12CCOC2)Cc1n[nH]c(=O)[n-]1 ZINC001490268125 1014913654 /nfs/dbraw/zinc/91/36/54/1014913654.db2.gz HXPYBQRUFHLFIN-HZMBPMFUSA-N -1 0 309.370 -0.125 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)NC1(c2nnn[n-]2)CCC1 ZINC001364661707 983087900 /nfs/dbraw/zinc/08/79/00/983087900.db2.gz GJXSFGCYQOYUDK-UHFFFAOYSA-N -1 0 308.342 -0.666 20 0 DBADRM CN(C)[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(F)(F)F ZINC001364729438 983111515 /nfs/dbraw/zinc/11/15/15/983111515.db2.gz MUSLMYOYYFAXQZ-YFKPBYRVSA-N -1 0 309.248 -0.105 20 0 DBADRM NC(=O)C1(O)CN(Cc2ncc(Br)cc2[O-])C1 ZINC001364764335 983125985 /nfs/dbraw/zinc/12/59/85/983125985.db2.gz YUVHGGQAOUOMMS-UHFFFAOYSA-N -1 0 302.128 -0.418 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@H](c2ncon2)C1 ZINC001364791946 983135150 /nfs/dbraw/zinc/13/51/50/983135150.db2.gz BXLUJQXMYXJAKQ-QMMMGPOBSA-N -1 0 308.298 -0.131 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)CCn1nc(C)oc1=O)C1CC1 ZINC001364790663 983135888 /nfs/dbraw/zinc/13/58/88/983135888.db2.gz YAWSPSDAGQRFQK-VIFPVBQESA-N -1 0 319.339 -0.984 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NC(C)C)nn1 ZINC001364796419 983139730 /nfs/dbraw/zinc/13/97/30/983139730.db2.gz QAJJJPOCJQNVSF-UHFFFAOYSA-N -1 0 322.412 -0.609 20 0 DBADRM C[C@@H](NS(=O)(=O)N=S(C)(C)=O)c1nnc2n1CCC2 ZINC001364797568 983140327 /nfs/dbraw/zinc/14/03/27/983140327.db2.gz SKAYHBWNFGHCPK-SSDOTTSWSA-N -1 0 307.401 -0.153 20 0 DBADRM COC[C@@H](NC(=O)CN(C)C(=O)c1cccs1)c1nnn[n-]1 ZINC001364811599 983146951 /nfs/dbraw/zinc/14/69/51/983146951.db2.gz BIFYAEPMGBIISP-MRVPVSSYSA-N -1 0 324.366 -0.163 20 0 DBADRM COC[C@@H](NC(=O)Cc1cn2c(n1)CCCC2)c1nnn[n-]1 ZINC001364816144 983151880 /nfs/dbraw/zinc/15/18/80/983151880.db2.gz SWAFUQWQNVQOSD-SNVBAGLBSA-N -1 0 305.342 -0.221 20 0 DBADRM NC(=O)c1cc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)co1 ZINC001364818492 983153831 /nfs/dbraw/zinc/15/38/31/983153831.db2.gz KYRZISSGWYMLTR-QMMMGPOBSA-N -1 0 304.310 -0.014 20 0 DBADRM O=C(C1=C2CCCN=C2NN1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001364819398 983154521 /nfs/dbraw/zinc/15/45/21/983154521.db2.gz PQTLHFOUBNFIOX-VIFPVBQESA-N -1 0 316.369 -0.465 20 0 DBADRM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)c1nnn[n-]1)C2=O ZINC001532480266 1014918153 /nfs/dbraw/zinc/91/81/53/1014918153.db2.gz AVXZYWMAYIQELL-SDBXPKJASA-N -1 0 321.341 -0.337 20 0 DBADRM CCOC(=O)[C@@H](CSC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001364823830 983157790 /nfs/dbraw/zinc/15/77/90/983157790.db2.gz OJBABNDVGXJEIR-ZCFIWIBFSA-N -1 0 304.328 -0.900 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC(C)(O)CC2)n[nH]1 ZINC001364824279 983158611 /nfs/dbraw/zinc/15/86/11/983158611.db2.gz SAESMGTXPIPWAD-UHFFFAOYSA-N -1 0 303.340 -0.268 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H]1CC2(CCC2)CO1 ZINC001364830846 983161693 /nfs/dbraw/zinc/16/16/93/983161693.db2.gz RETPLGIVZMQRFC-UWVGGRQHSA-N -1 0 307.368 -0.601 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC001364857021 983172123 /nfs/dbraw/zinc/17/21/23/983172123.db2.gz RSQKASQGGAQCIL-MRVPVSSYSA-N -1 0 321.355 -0.443 20 0 DBADRM CO[C@@]1(CNC(=O)c2c[n-]ncc2=O)CCS(=O)(=O)C1 ZINC001364878189 983181305 /nfs/dbraw/zinc/18/13/05/983181305.db2.gz DHYKKJFZUSWJJU-LLVKDONJSA-N -1 0 301.324 -0.884 20 0 DBADRM COC(=O)[C@](C)(CO)NS(=O)(=O)CC1(C)CCOCC1 ZINC001364886167 983185136 /nfs/dbraw/zinc/18/51/36/983185136.db2.gz YUXIZQDMDJEQJH-LBPRGKRZSA-N -1 0 309.384 -0.354 20 0 DBADRM COCC1(CCNS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001364887807 983185385 /nfs/dbraw/zinc/18/53/85/983185385.db2.gz SXGVXNYZZJYADA-UHFFFAOYSA-N -1 0 317.367 -0.419 20 0 DBADRM CCOC(=O)CCS(=O)(=O)NCC(=O)N=S(C)(C)=O ZINC001364887300 983185490 /nfs/dbraw/zinc/18/54/90/983185490.db2.gz KUESYLGHADSAGI-UHFFFAOYSA-N -1 0 314.385 -0.887 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@H](CO)Cc2cnn(C)c2)nn1 ZINC001364888010 983185965 /nfs/dbraw/zinc/18/59/65/983185965.db2.gz NIONKDUULKCSJO-NSHDSACASA-N -1 0 311.367 -0.600 20 0 DBADRM NC(=O)c1csc(CNS(=O)(=O)Cc2ccno2)n1 ZINC001364888042 983186242 /nfs/dbraw/zinc/18/62/42/983186242.db2.gz LGMXOZYECFYFBX-UHFFFAOYSA-N -1 0 302.337 -0.150 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001364892061 983187281 /nfs/dbraw/zinc/18/72/81/983187281.db2.gz MUDBEFJEHYAGQF-ZSPDNNCOSA-N -1 0 314.363 -0.328 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H](O)CC(=O)OC ZINC001364897994 983189687 /nfs/dbraw/zinc/18/96/87/983189687.db2.gz YNZBMAYICFKERQ-MRVPVSSYSA-N -1 0 316.401 -0.747 20 0 DBADRM COC(=O)C1(O)CN(S(=O)(=O)c2cccc(Cl)c2[O-])C1 ZINC001364909138 983194319 /nfs/dbraw/zinc/19/43/19/983194319.db2.gz ZKJZKNMTTGHRDL-UHFFFAOYSA-N -1 0 321.738 -0.046 20 0 DBADRM CN(CCS(N)(=O)=O)S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001364915303 983195770 /nfs/dbraw/zinc/19/57/70/983195770.db2.gz SAEYXSZFPPWHCA-UHFFFAOYSA-N -1 0 312.344 -0.560 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@H](F)C(=O)OC ZINC001364916658 983197581 /nfs/dbraw/zinc/19/75/81/983197581.db2.gz ORNKCLRZMQGJTC-ZETCQYMHSA-N -1 0 309.271 -0.144 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2nccn2C)n[nH]1 ZINC001364916592 983197945 /nfs/dbraw/zinc/19/79/45/983197945.db2.gz UCIDBBOPAZYZBT-ZETCQYMHSA-N -1 0 313.339 -0.031 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)CC1(C(=O)OC)CC1 ZINC001364917488 983198852 /nfs/dbraw/zinc/19/88/52/983198852.db2.gz XMLNWCKFWCFOGB-VIFPVBQESA-N -1 0 323.367 -0.563 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)[N-][C@H](CCO)C(F)(F)F ZINC001364934441 983203680 /nfs/dbraw/zinc/20/36/80/983203680.db2.gz LECRLQPGJDIWFV-ZCFIWIBFSA-N -1 0 313.319 -0.736 20 0 DBADRM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2nnn(C)n2)c1 ZINC001364950225 983209554 /nfs/dbraw/zinc/20/95/54/983209554.db2.gz IKJWTUFEWFYYPI-UHFFFAOYSA-N -1 0 315.286 -0.063 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](CC(C)C)OC)[C@@H](C)O ZINC001364959563 983213287 /nfs/dbraw/zinc/21/32/87/983213287.db2.gz HYXWNGBEGUQASO-VWYCJHECSA-N -1 0 311.400 -0.111 20 0 DBADRM O=C1OCCN1CCS(=O)(=O)NC1(c2ncon2)CC1 ZINC001364979620 983219450 /nfs/dbraw/zinc/21/94/50/983219450.db2.gz GORBWKSGROMUMY-UHFFFAOYSA-N -1 0 302.312 -0.570 20 0 DBADRM COC(=O)C1(NS(=O)(=O)CC2CCOCC2)CC(CO)C1 ZINC001364979233 983220364 /nfs/dbraw/zinc/22/03/64/983220364.db2.gz YPQICJLNNLGQRA-UHFFFAOYSA-N -1 0 321.395 -0.354 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1nncn1C ZINC001365015525 983230283 /nfs/dbraw/zinc/23/02/83/983230283.db2.gz FDFPJYMMYQPDJW-UHFFFAOYSA-N -1 0 300.296 -0.327 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOC[C@@H]1C[C@H]1CCOC1 ZINC001365043993 983239927 /nfs/dbraw/zinc/23/99/27/983239927.db2.gz RLGQTIWNTMQSID-BDAKNGLRSA-N -1 0 310.310 -0.450 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(CN2CCNC2=O)CC1 ZINC001365056529 983244692 /nfs/dbraw/zinc/24/46/92/983244692.db2.gz PRNAJMXZQCICSL-UHFFFAOYSA-N -1 0 322.373 -0.616 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H](O)COc1ccc(F)cc1 ZINC001365055443 983244745 /nfs/dbraw/zinc/24/47/45/983244745.db2.gz NNIRWQBLSAPHJO-SNVBAGLBSA-N -1 0 324.316 -0.185 20 0 DBADRM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc3n(n2)CCCC3=O)n1 ZINC001365181214 983288304 /nfs/dbraw/zinc/28/83/04/983288304.db2.gz BNKGDXAUGZLHJC-UHFFFAOYSA-N -1 0 324.322 -0.367 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](C)C(=O)NCC(F)(F)F ZINC001365200992 983295200 /nfs/dbraw/zinc/29/52/00/983295200.db2.gz DJXZJLXEUPECPR-YFKPBYRVSA-N -1 0 309.252 -0.697 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC(=O)NC[C@@H]1c1ccccc1 ZINC001365202213 983296338 /nfs/dbraw/zinc/29/63/38/983296338.db2.gz SRWZKNZEPOKXER-LLVKDONJSA-N -1 0 315.337 -0.180 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1c2ccccc2CN(C)C1=O ZINC001365201831 983296364 /nfs/dbraw/zinc/29/63/64/983296364.db2.gz MRPREBCHABDLNA-LLVKDONJSA-N -1 0 315.337 -0.050 20 0 DBADRM O=C(NCc1nc2c(c(=O)[nH]1)COCC2)N[C@H]1C[C@@H](CO)C1 ZINC001365243754 983309183 /nfs/dbraw/zinc/30/91/83/983309183.db2.gz UCZOJUZTDOHZDB-DTORHVGOSA-N -1 0 308.338 -0.175 20 0 DBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001365299643 983327377 /nfs/dbraw/zinc/32/73/77/983327377.db2.gz WRPZVLSFOAXAEU-AAEUAGOBSA-N -1 0 323.349 -0.247 20 0 DBADRM CC(C)(NCc1cc(=O)n2nc(N)[nH]c2n1)C(=O)N1CCCC1 ZINC001365331219 983341279 /nfs/dbraw/zinc/34/12/79/983341279.db2.gz ATAUSJSOBRHALS-UHFFFAOYSA-N -1 0 319.369 -0.510 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]N1CCCNC1=O ZINC001365377533 983354869 /nfs/dbraw/zinc/35/48/69/983354869.db2.gz IDKMYHNWZODJBS-UHFFFAOYSA-N -1 0 303.296 -0.325 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)N[C@@H](CCO)C1CCOCC1 ZINC001365391254 983361164 /nfs/dbraw/zinc/36/11/64/983361164.db2.gz XECVHIWZALTLBX-JTQLQIEISA-N -1 0 314.429 -0.274 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H]1CCCNC1=O ZINC001365396222 983362321 /nfs/dbraw/zinc/36/23/21/983362321.db2.gz AUOPSPSAPMBWJE-QMMMGPOBSA-N -1 0 302.308 -0.377 20 0 DBADRM Cn1nnc(C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)n1 ZINC001365395476 983362643 /nfs/dbraw/zinc/36/26/43/983362643.db2.gz ORRUBGUUEHYAAY-SFHVURJKSA-N -1 0 310.405 -0.559 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1)[C@@H](C)O ZINC001365458683 983394840 /nfs/dbraw/zinc/39/48/40/983394840.db2.gz HKNSISQBRIEZSC-KLHWPWHYSA-N -1 0 321.395 -0.214 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[C@H](NS(=O)(=O)c3ncc[n-]3)C2)n1 ZINC001365459837 983396138 /nfs/dbraw/zinc/39/61/38/983396138.db2.gz DKYDIFSFOISESK-VIFPVBQESA-N -1 0 324.366 -0.229 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@]1(C)CCNC1=O ZINC001365463100 983397569 /nfs/dbraw/zinc/39/75/69/983397569.db2.gz UNNKVQLVGUATKI-MGNBDDOMSA-N -1 0 311.429 -0.004 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365589112 983434234 /nfs/dbraw/zinc/43/42/34/983434234.db2.gz FMGLEBGLUOHFOO-IUCAKERBSA-N -1 0 310.358 -0.076 20 0 DBADRM Cc1c(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cnn1C ZINC001365621278 983442905 /nfs/dbraw/zinc/44/29/05/983442905.db2.gz PTIBFUPCPKOZGQ-UHFFFAOYSA-N -1 0 305.342 -0.490 20 0 DBADRM CCCn1nccc1C(=O)NCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596120784 983456193 /nfs/dbraw/zinc/45/61/93/983456193.db2.gz YQOZQLORJKXIPA-VHSXEESVSA-N -1 0 308.338 -0.140 20 0 DBADRM CCCn1nccc1NC(=O)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001596121809 983460231 /nfs/dbraw/zinc/46/02/31/983460231.db2.gz JZJHAEOHSRUDAD-ONGXEEELSA-N -1 0 324.337 -0.332 20 0 DBADRM CC[C@H](C)[C@@H](O)CNS(=O)(=O)c1cc(C(=O)OC)[nH]n1 ZINC001365660909 983462515 /nfs/dbraw/zinc/46/25/15/983462515.db2.gz VHIBXHGWBBIVPU-CBAPKCEASA-N -1 0 305.356 -0.118 20 0 DBADRM CCN(C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)[C@@H]1CCNC1=O ZINC001596128919 983475475 /nfs/dbraw/zinc/47/54/75/983475475.db2.gz WFECQIHCUHQZEZ-SECBINFHSA-N -1 0 322.321 -0.601 20 0 DBADRM CC(C)(C)[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(N)=O ZINC001365680322 983476645 /nfs/dbraw/zinc/47/66/45/983476645.db2.gz GASJRKKHOVXIDT-MRVPVSSYSA-N -1 0 311.429 -0.017 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-][C@@H](CO)C(=O)OC ZINC001365683742 983478469 /nfs/dbraw/zinc/47/84/69/983478469.db2.gz BNIFYDAJEFLKTP-DTWKUNHWSA-N -1 0 311.356 -0.829 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H]1CCN(C)C(=O)C1 ZINC001365700166 983485213 /nfs/dbraw/zinc/48/52/13/983485213.db2.gz DMCPSJDMZRAHAJ-MRVPVSSYSA-N -1 0 316.335 -0.035 20 0 DBADRM O=S(=O)(N[C@@H](c1nc[nH]n1)c1ccccc1)[C@@H]1COC[C@H]1O ZINC001365701634 983486721 /nfs/dbraw/zinc/48/67/21/983486721.db2.gz VAMVZVKJDZFIDD-IJLUTSLNSA-N -1 0 324.362 -0.427 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC(=O)N(C)C[C@H]2C)n[nH]1 ZINC001365701751 983487570 /nfs/dbraw/zinc/48/75/70/983487570.db2.gz YMRMJJQNQHNETF-SSDOTTSWSA-N -1 0 316.339 -0.953 20 0 DBADRM Cn1nnc(C[N-]S(=O)(=O)c2nc[nH]c2Br)n1 ZINC001365704483 983489933 /nfs/dbraw/zinc/48/99/33/983489933.db2.gz ORRSYFKOLYFTTP-UHFFFAOYSA-N -1 0 322.148 -0.826 20 0 DBADRM Cn1nc(C2CC2)cc1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC001365703656 983490126 /nfs/dbraw/zinc/49/01/26/983490126.db2.gz JXIURAAWUJCBES-UHFFFAOYSA-N -1 0 313.339 -0.505 20 0 DBADRM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001365706908 983492185 /nfs/dbraw/zinc/49/21/85/983492185.db2.gz JGWHOKVOEDYDGT-ASCAZGACSA-N -1 0 315.417 -0.265 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1c(C)nn2cccnc12)C(=O)NC ZINC001365715079 983495839 /nfs/dbraw/zinc/49/58/39/983495839.db2.gz HNISWBMWUDNTTH-SECBINFHSA-N -1 0 311.367 -0.159 20 0 DBADRM CCN(C(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1)C1CC1 ZINC001596143600 983497850 /nfs/dbraw/zinc/49/78/50/983497850.db2.gz QMLVGCVZNYXBLK-CHWSQXEVSA-N -1 0 323.393 -0.138 20 0 DBADRM CCCNS(=O)(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[nH]2)C1 ZINC001365736803 983511031 /nfs/dbraw/zinc/51/10/31/983511031.db2.gz HISYWDCBOCCAGA-SNVBAGLBSA-N -1 0 315.399 -0.097 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)N2CC(CO)(CO)C2)c1 ZINC001365737132 983511123 /nfs/dbraw/zinc/51/11/23/983511123.db2.gz RZJZKCWJUUPERX-UHFFFAOYSA-N -1 0 303.336 -0.624 20 0 DBADRM NS(=O)(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ncc[n-]2)C1 ZINC001365751617 983522177 /nfs/dbraw/zinc/52/21/77/983522177.db2.gz VVUUEIYTMBDQGQ-JGVFFNPUSA-N -1 0 308.385 -0.855 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1ccccc1S(C)(=O)=O ZINC001365819218 983541716 /nfs/dbraw/zinc/54/17/16/983541716.db2.gz BMNLJVHOFSOZRX-UHFFFAOYSA-N -1 0 324.366 -0.160 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1Cc2ccccc2NC1=O ZINC001365820504 983542422 /nfs/dbraw/zinc/54/24/22/983542422.db2.gz GJJOHGRCHKKWRQ-SNVBAGLBSA-N -1 0 301.310 -0.200 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCN1C(=O)Cc2ccccc21 ZINC001365823861 983544205 /nfs/dbraw/zinc/54/42/05/983544205.db2.gz TZBSZNVNTFWSQP-UHFFFAOYSA-N -1 0 315.337 -0.174 20 0 DBADRM O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C1CCCC1 ZINC001365955039 983610315 /nfs/dbraw/zinc/61/03/15/983610315.db2.gz NXXXCGRZNPEZHV-UHFFFAOYSA-N -1 0 322.413 -0.066 20 0 DBADRM CSCC[C@H](NC(=O)Nc1cc(=O)n(C)cn1)c1nnn[n-]1 ZINC001365973686 983628944 /nfs/dbraw/zinc/62/89/44/983628944.db2.gz FCPHFZHNQATTRZ-ZETCQYMHSA-N -1 0 324.370 -0.091 20 0 DBADRM CC(C)SCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001366111537 983701820 /nfs/dbraw/zinc/70/18/20/983701820.db2.gz IXFBJBMJENRLTC-MGCOHNPYSA-N -1 0 313.427 -0.013 20 0 DBADRM O=C(Cc1c[nH]cn1)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366176261 983730803 /nfs/dbraw/zinc/73/08/03/983730803.db2.gz CJRGOKZZNKEPNI-JTQLQIEISA-N -1 0 319.369 -0.196 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366180110 983732657 /nfs/dbraw/zinc/73/26/57/983732657.db2.gz KQNSVACFPWUGBY-KOLCDFICSA-N -1 0 324.385 -0.637 20 0 DBADRM CCC(=O)NCC(=O)N1CCC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001366432347 983830560 /nfs/dbraw/zinc/83/05/60/983830560.db2.gz ZAHVSJKUIXJCFU-JTQLQIEISA-N -1 0 324.385 -0.541 20 0 DBADRM C[C@H]1C[C@@H]1CC(=O)N(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001533026159 1014984194 /nfs/dbraw/zinc/98/41/94/1014984194.db2.gz MVLBKTVGRMUGPW-DTWKUNHWSA-N -1 0 323.353 -0.141 20 0 DBADRM CCN(CCNC(=O)CC1OCCCO1)Cc1n[nH]c(=O)[n-]1 ZINC001366604757 983875591 /nfs/dbraw/zinc/87/55/91/983875591.db2.gz HNAPWYURODMVGA-UHFFFAOYSA-N -1 0 313.358 -0.399 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC001366682961 983906725 /nfs/dbraw/zinc/90/67/25/983906725.db2.gz LXKOYYFFKIXAAE-QWRGUYRKSA-N -1 0 319.369 -0.094 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN(Cc2ccon2)C1 ZINC001366711363 983937430 /nfs/dbraw/zinc/93/74/30/983937430.db2.gz JJADVGKESGILLR-VIFPVBQESA-N -1 0 322.325 -0.684 20 0 DBADRM COCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001366862025 984027625 /nfs/dbraw/zinc/02/76/25/984027625.db2.gz PITCJUJFGBTZLB-NSHDSACASA-N -1 0 311.386 -0.575 20 0 DBADRM CCC(=O)NCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366899312 984048418 /nfs/dbraw/zinc/04/84/18/984048418.db2.gz NZJKPGIKDDECBU-VIFPVBQESA-N -1 0 310.358 -0.883 20 0 DBADRM CC(=O)N[C@@H](C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)C(C)C ZINC001366984846 984100543 /nfs/dbraw/zinc/10/05/43/984100543.db2.gz JVGQMNUOXRDDTG-GFCCVEGCSA-N -1 0 324.385 -0.781 20 0 DBADRM CC1(C(=O)NCCN2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001490494281 1015006934 /nfs/dbraw/zinc/00/69/34/1015006934.db2.gz XEAHTFNNRIAWOT-UHFFFAOYSA-N -1 0 308.386 -0.456 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CN[C@H](C)c2nnnn2C)c1[O-] ZINC001367357488 984281098 /nfs/dbraw/zinc/28/10/98/984281098.db2.gz YZVNWSLURCZZPU-IONNQARKSA-N -1 0 322.373 -0.241 20 0 DBADRM CN(CCN(C)C(=O)c1cnn(C)c1N)Cc1n[nH]c(=O)[n-]1 ZINC001367507074 984325980 /nfs/dbraw/zinc/32/59/80/984325980.db2.gz PUSYQSLKAZDEQI-UHFFFAOYSA-N -1 0 308.346 -0.970 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)C[C@H]2C=CCC2)c1[O-] ZINC001533171266 1015034987 /nfs/dbraw/zinc/03/49/87/1015034987.db2.gz MUEWJQJBAAEMTP-QWRGUYRKSA-N -1 0 322.365 -0.013 20 0 DBADRM Cc1c(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001367783100 984619025 /nfs/dbraw/zinc/61/90/25/984619025.db2.gz DVHWEHMXEHJNRT-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM CCc1c[nH]c(CC(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001367805098 984633806 /nfs/dbraw/zinc/63/38/06/984633806.db2.gz PSMPCNBDORLAGW-VIFPVBQESA-N -1 0 321.385 -0.025 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001490585158 1015054318 /nfs/dbraw/zinc/05/43/18/1015054318.db2.gz UIGDLEZSUDPJGB-SNVBAGLBSA-N -1 0 322.369 -0.883 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001367963053 984820940 /nfs/dbraw/zinc/82/09/40/984820940.db2.gz JBROJCMWVJEETA-SECBINFHSA-N -1 0 310.358 -0.885 20 0 DBADRM O=C(Cc1cncs1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001368005125 984839438 /nfs/dbraw/zinc/83/94/38/984839438.db2.gz AOGRZITZDCUHJE-UHFFFAOYSA-N -1 0 308.367 -0.052 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)c1cnn(CCF)c1 ZINC001368010809 984841921 /nfs/dbraw/zinc/84/19/21/984841921.db2.gz DUQMNPXIRYOMII-UHFFFAOYSA-N -1 0 323.332 -0.272 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368083473 984865679 /nfs/dbraw/zinc/86/56/79/984865679.db2.gz MCJLMLUMDORPPQ-UHFFFAOYSA-N -1 0 324.385 -0.685 20 0 DBADRM CC/C(C)=C/C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001533233018 1015085554 /nfs/dbraw/zinc/08/55/54/1015085554.db2.gz UJUUIUXJNZHBKQ-VHODGJRUSA-N -1 0 310.354 -0.013 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCC1(F)F ZINC001368302856 985066671 /nfs/dbraw/zinc/06/66/71/985066671.db2.gz KYZFQSDOWGTPLV-ZETCQYMHSA-N -1 0 317.296 -0.782 20 0 DBADRM CC[C@H]1CCC[C@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368315798 985082460 /nfs/dbraw/zinc/08/24/60/985082460.db2.gz NHPHPHYROCEHKZ-WDEREUQCSA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(CCCF)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368372961 985127942 /nfs/dbraw/zinc/12/79/42/985127942.db2.gz JXQKPRODLPBXJN-CYBMUJFWSA-N -1 0 315.349 -0.297 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H](N(CCO)Cc2n[nH]c(=O)[n-]2)C1 ZINC001368720578 985374344 /nfs/dbraw/zinc/37/43/44/985374344.db2.gz WERQTQOHUSEZDZ-LLVKDONJSA-N -1 0 311.386 -0.048 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001368782069 985426081 /nfs/dbraw/zinc/42/60/81/985426081.db2.gz GYVZWZREFDSSAX-HLTSFMKQSA-N -1 0 310.358 -0.899 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NCc2cn(C)nn2)c1[O-] ZINC001368833327 985493060 /nfs/dbraw/zinc/49/30/60/985493060.db2.gz BIAHCYGBTWXZEJ-JGVFFNPUSA-N -1 0 307.358 -0.151 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NCc2cn(C)nn2)c1[O-] ZINC001368833334 985493376 /nfs/dbraw/zinc/49/33/76/985493376.db2.gz BIAHCYGBTWXZEJ-SFYZADRCSA-N -1 0 307.358 -0.151 20 0 DBADRM C[C@H](CNC(=O)Cc1ccn(C)n1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001368947072 985589894 /nfs/dbraw/zinc/58/98/94/985589894.db2.gz YATHYXOFNHLLAH-SECBINFHSA-N -1 0 307.358 -0.577 20 0 DBADRM C[C@H](CNC(=O)c1cc2n(n1)CCO2)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001368958468 985607714 /nfs/dbraw/zinc/60/77/14/985607714.db2.gz UXZNNPROVTUVMW-MRVPVSSYSA-N -1 0 321.341 -0.651 20 0 DBADRM Cc1cc(CN(C)[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001368969542 985618430 /nfs/dbraw/zinc/61/84/30/985618430.db2.gz OYSMFIDHZCXTNI-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM C[C@H](CNC(=O)CCc1cnccn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001368993354 985635524 /nfs/dbraw/zinc/63/55/24/985635524.db2.gz CTTXQRJEFMSKMF-SNVBAGLBSA-N -1 0 319.369 -0.130 20 0 DBADRM C[C@@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)N(C)CC(N)=O ZINC001368998933 985638619 /nfs/dbraw/zinc/63/86/19/985638619.db2.gz PHHYDJVANNHQOX-ZETCQYMHSA-N -1 0 307.310 -0.536 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccncc1 ZINC001369015050 985655797 /nfs/dbraw/zinc/65/57/97/985655797.db2.gz XTUPKLGSUAOTHK-UHFFFAOYSA-N -1 0 318.337 -0.728 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CCO)CN(CCCF)C2)c1[O-] ZINC001369024686 985667782 /nfs/dbraw/zinc/66/77/82/985667782.db2.gz XDAMATLBNGRCRX-UHFFFAOYSA-N -1 0 300.334 -0.050 20 0 DBADRM O=C(NC1(CCO)CN(CCC2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001369023877 985668058 /nfs/dbraw/zinc/66/80/58/985668058.db2.gz MPMDOEAHUNLNGD-UHFFFAOYSA-N -1 0 323.353 -0.751 20 0 DBADRM CC[C@@H](C)C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001533381874 1015161718 /nfs/dbraw/zinc/16/17/18/1015161718.db2.gz KDVYLRLHEPHXDV-WTSVBCDHSA-N -1 0 309.326 -0.269 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)N[C@H](C)c2nnnn2C)c1[O-] ZINC001369239525 985824547 /nfs/dbraw/zinc/82/45/47/985824547.db2.gz JCWWGLOUYHTGPB-IONNQARKSA-N -1 0 322.373 -0.241 20 0 DBADRM O=C(CC[C@@H]1CCCO1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001369313489 985865765 /nfs/dbraw/zinc/86/57/65/985865765.db2.gz YVCPSLSLWDDAMV-UWVGGRQHSA-N -1 0 313.358 -0.964 20 0 DBADRM Cc1cnccc1CC(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001369330908 985899052 /nfs/dbraw/zinc/89/90/52/985899052.db2.gz YGOGMCHQPFRVBF-LLVKDONJSA-N -1 0 320.353 -0.977 20 0 DBADRM C[C@@H](C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C(C)(F)F ZINC001369359481 985963460 /nfs/dbraw/zinc/96/34/60/985963460.db2.gz FVUVOCLGEFUJBA-BQBZGAKWSA-N -1 0 307.301 -0.632 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2ncn(C)n2)c1[O-] ZINC001533454493 1015176940 /nfs/dbraw/zinc/17/69/40/1015176940.db2.gz LCKWWOPQQGPEFH-ONEGZZNKSA-N -1 0 319.325 -0.732 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2cncn2C)c1[O-] ZINC001533462054 1015178971 /nfs/dbraw/zinc/17/89/71/1015178971.db2.gz ZACJMVVZYQCKIL-ONEGZZNKSA-N -1 0 318.337 -0.127 20 0 DBADRM CCNC(=O)CC(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001596456424 1017149317 /nfs/dbraw/zinc/14/93/17/1017149317.db2.gz OFADUBMILHCVGQ-VIFPVBQESA-N -1 0 314.338 -0.233 20 0 DBADRM O=C(NCC=CCNC(=O)[C@H]1CC12CC2)c1n[nH]c(=O)[n-]c1=O ZINC001533575367 1015198343 /nfs/dbraw/zinc/19/83/43/1015198343.db2.gz GFKGNCYRJFYKSJ-FHKCNRDCSA-N -1 0 319.321 -0.515 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)C1CCCC1 ZINC001369489202 986221440 /nfs/dbraw/zinc/22/14/40/986221440.db2.gz NBFJSVIOWZCCRH-NSHDSACASA-N -1 0 311.386 -0.048 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2cc[n+]([O-])cc2)c1[O-] ZINC001533627273 1015204236 /nfs/dbraw/zinc/20/42/36/1015204236.db2.gz WDMVSIULKKZVHP-MRVPVSSYSA-N -1 0 319.321 -0.395 20 0 DBADRM CC(=O)N1CCC[C@H]1CN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001369592006 986298544 /nfs/dbraw/zinc/29/85/44/986298544.db2.gz AHZZNLYRRXXDJF-JTQLQIEISA-N -1 0 323.353 -0.315 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)NC(=O)C1CCC1 ZINC001369658135 986316504 /nfs/dbraw/zinc/31/65/04/986316504.db2.gz NWOQCYMEZHVJPK-SFYZADRCSA-N -1 0 311.342 -0.501 20 0 DBADRM C[C@H](CNC(=O)c1ccoc1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001369791976 986366211 /nfs/dbraw/zinc/36/62/11/986366211.db2.gz YZHBCLYBOGIJDG-MRVPVSSYSA-N -1 0 323.309 -0.441 20 0 DBADRM Cc1cc(OCC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001369986312 986534322 /nfs/dbraw/zinc/53/43/22/986534322.db2.gz LQYMRFUGKWFAOJ-SECBINFHSA-N -1 0 322.325 -0.424 20 0 DBADRM C[C@@H](CNC(=O)C1(C)CC=CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001534303409 1015245474 /nfs/dbraw/zinc/24/54/74/1015245474.db2.gz BZTXEZHPXXOJCQ-QMMMGPOBSA-N -1 0 321.337 -0.126 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC001370462117 986750312 /nfs/dbraw/zinc/75/03/12/986750312.db2.gz LDOXRDRMXJTECB-VXNVDRBHSA-N -1 0 323.353 -0.721 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1CC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001370478630 986761833 /nfs/dbraw/zinc/76/18/33/986761833.db2.gz FGOXDQWFFFGNGR-JGVFFNPUSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)NC(=O)c1cn[nH]n1 ZINC001370515122 986781920 /nfs/dbraw/zinc/78/19/20/986781920.db2.gz NHCLAWCHHBJKNH-NXEZZACHSA-N -1 0 322.369 -0.702 20 0 DBADRM CCNC(=O)CN1CC=C(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001596461480 1017151862 /nfs/dbraw/zinc/15/18/62/1017151862.db2.gz BDOUCSDYNCMBBK-NEPJUHHUSA-N -1 0 309.366 -0.409 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(C)C ZINC001370568972 986802885 /nfs/dbraw/zinc/80/28/85/986802885.db2.gz FCUWCMJXIFOSGH-MRVPVSSYSA-N -1 0 313.358 -0.302 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(C)C ZINC001370568977 986803201 /nfs/dbraw/zinc/80/32/01/986803201.db2.gz FCUWCMJXIFOSGH-QMMMGPOBSA-N -1 0 313.358 -0.302 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@@H](F)C(C)C)c1[O-] ZINC001370676684 986876022 /nfs/dbraw/zinc/87/60/22/986876022.db2.gz DSOMEQXCRYRXGE-IUCAKERBSA-N -1 0 316.333 -0.375 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2ccn(CCn3cccn3)n2)CCOC1 ZINC001594723599 987219955 /nfs/dbraw/zinc/21/99/55/987219955.db2.gz HNFBBQPGAWHDHX-CQSZACIVSA-N -1 0 319.321 -0.247 20 0 DBADRM C/C=C(\C)C(=O)NCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001491212279 1015293178 /nfs/dbraw/zinc/29/31/78/1015293178.db2.gz DRZJRZJZVAAHBX-FPYGCLRLSA-N -1 0 309.326 -0.586 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1Cc2cccnc2C1)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001371443860 987348951 /nfs/dbraw/zinc/34/89/51/987348951.db2.gz SDWKUQKNSVNLKY-GXSJLCMTSA-N -1 0 316.365 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2ccn(C)c(=O)c2)c1[O-] ZINC001491233191 1015301114 /nfs/dbraw/zinc/30/11/14/1015301114.db2.gz SEPVGLZJQCUYRX-UHFFFAOYSA-N -1 0 319.321 -0.718 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001491232733 1015302250 /nfs/dbraw/zinc/30/22/50/1015302250.db2.gz RLRBBNMKOFQQGQ-VIFPVBQESA-N -1 0 311.342 -0.816 20 0 DBADRM CC1(C(=O)NC[C@@H]2CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001534953334 1015311359 /nfs/dbraw/zinc/31/13/59/1015311359.db2.gz FMDLTTLSRDCNPS-QMMMGPOBSA-N -1 0 321.337 -0.196 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001596485629 1017152543 /nfs/dbraw/zinc/15/25/43/1017152543.db2.gz QGMIPPNMESDFLF-PRJMDXOYSA-N -1 0 302.283 -0.604 20 0 DBADRM Cc1csc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001372025019 987614778 /nfs/dbraw/zinc/61/47/78/987614778.db2.gz PMZGQBXWNAGONR-UHFFFAOYSA-N -1 0 324.366 -0.090 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001372041807 987625236 /nfs/dbraw/zinc/62/52/36/987625236.db2.gz PUZSMPZLXRGFQM-HTQZYQBOSA-N -1 0 315.305 -0.846 20 0 DBADRM CCN(CCNC(=O)CCc1cnn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001372413382 987758192 /nfs/dbraw/zinc/75/81/92/987758192.db2.gz KASOXRJWIUFARN-UHFFFAOYSA-N -1 0 322.373 -0.790 20 0 DBADRM Cc1nnc(CC(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)[nH]1 ZINC001372508428 987786896 /nfs/dbraw/zinc/78/68/96/987786896.db2.gz RVWKYTZBMMMRKQ-VIFPVBQESA-N -1 0 320.357 -0.740 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2cnns2)c1[O-] ZINC001372818072 987895108 /nfs/dbraw/zinc/89/51/08/987895108.db2.gz HMKCLIUEAJBQEP-RXMQYKEDSA-N -1 0 310.339 -0.176 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3ccn[nH]3)CC2)c1[O-] ZINC001535210295 1015353262 /nfs/dbraw/zinc/35/32/62/1015353262.db2.gz FMSWBWFWZKAKEP-UHFFFAOYSA-N -1 0 304.310 -0.161 20 0 DBADRM CC1(C)C[C@H]1C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001535213174 1015353927 /nfs/dbraw/zinc/35/39/27/1015353927.db2.gz UXHSXTAURHTLFD-QMMMGPOBSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1CC12CC2 ZINC001373010538 988035573 /nfs/dbraw/zinc/03/55/73/988035573.db2.gz CTUHZQSDMMEZRG-JGVFFNPUSA-N -1 0 309.326 -0.890 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1CC12CC2 ZINC001373010540 988038338 /nfs/dbraw/zinc/03/83/38/988038338.db2.gz CTUHZQSDMMEZRG-YUMQZZPRSA-N -1 0 309.326 -0.890 20 0 DBADRM COC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001373048459 988063412 /nfs/dbraw/zinc/06/34/12/988063412.db2.gz WPVHDLHVLYEXAB-GARJFASQSA-N -1 0 309.370 -0.032 20 0 DBADRM CCCC(=O)NC[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001373170269 988133641 /nfs/dbraw/zinc/13/36/41/988133641.db2.gz NYQVHCOWCLCQMR-VIFPVBQESA-N -1 0 311.342 -0.546 20 0 DBADRM CCO[C@@H](C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001373508255 988410783 /nfs/dbraw/zinc/41/07/83/988410783.db2.gz NFGMIGMLIRYKHG-GFCCVEGCSA-N -1 0 309.370 -0.127 20 0 DBADRM C[NH+](C)C1(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)CCC1 ZINC001373510923 988415158 /nfs/dbraw/zinc/41/51/58/988415158.db2.gz CGSNIQJJIRCBBP-UHFFFAOYSA-N -1 0 308.386 -0.457 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)C[C@H]2CCC(=O)N2)c1[O-] ZINC001373555792 988446506 /nfs/dbraw/zinc/44/65/06/988446506.db2.gz QBTOLIZGOSAINC-SECBINFHSA-N -1 0 323.353 -0.719 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(CCC(F)(F)F)C1 ZINC001373553114 988446991 /nfs/dbraw/zinc/44/69/91/988446991.db2.gz PJJAFGCAFXMJBV-UHFFFAOYSA-N -1 0 323.275 -0.310 20 0 DBADRM CN(CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)C1CC1 ZINC001373611906 988489050 /nfs/dbraw/zinc/48/90/50/988489050.db2.gz DIMARYGNTQDFAL-UHFFFAOYSA-N -1 0 318.337 -0.944 20 0 DBADRM COC[C@H](OC)C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373681181 988544518 /nfs/dbraw/zinc/54/45/18/988544518.db2.gz JMOXTCYWPIVEDG-ZJUUUORDSA-N -1 0 313.358 -0.796 20 0 DBADRM CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001596515815 1017154657 /nfs/dbraw/zinc/15/46/57/1017154657.db2.gz HTFLLGSLBSAWFC-NSHDSACASA-N -1 0 321.307 -0.430 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)CC(=O)[O-] ZINC001596519041 1017154761 /nfs/dbraw/zinc/15/47/61/1017154761.db2.gz JHYSZSRNXIPZTH-HLTSFMKQSA-N -1 0 302.327 -0.330 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NCc2nc(N(C)C)no2)c1[O-] ZINC001491431222 1015415959 /nfs/dbraw/zinc/41/59/59/1015415959.db2.gz JHTUYXUQNNWPMI-ZETCQYMHSA-N -1 0 323.357 -0.219 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N[C@@H](C)c2nnnn2C)c1[O-] ZINC001491429711 1015416355 /nfs/dbraw/zinc/41/63/55/1015416355.db2.gz CVYTYQUGZMEYTK-XPUUQOCRSA-N -1 0 308.346 -0.584 20 0 DBADRM CCn1nncc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001374081431 988772245 /nfs/dbraw/zinc/77/22/45/988772245.db2.gz VVWQIYGOHHUAAJ-UHFFFAOYSA-N -1 0 306.330 -0.920 20 0 DBADRM O=C(Cc1ccc[nH]1)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001374144102 988801716 /nfs/dbraw/zinc/80/17/16/988801716.db2.gz ROAGYICJWKGJBN-NSHDSACASA-N -1 0 320.353 -0.602 20 0 DBADRM CCOCC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(=O)n2[n-]ccc2n1 ZINC001374192258 988813792 /nfs/dbraw/zinc/81/37/92/988813792.db2.gz BWEZJJUNAZDYQI-NSHDSACASA-N -1 0 321.381 -0.004 20 0 DBADRM COC(=O)[C@H]1C[C@H]1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001374473131 988883415 /nfs/dbraw/zinc/88/34/15/988883415.db2.gz YONBHNUXXZHCLY-BDAKNGLRSA-N -1 0 311.342 -0.790 20 0 DBADRM CN(CCN(C)C(=O)CCN1CCCC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001374558204 988922714 /nfs/dbraw/zinc/92/27/14/988922714.db2.gz XRLMOBDXKJIRGP-UHFFFAOYSA-N -1 0 324.385 -0.587 20 0 DBADRM CCc1nn(C)c(OC)c1CNCc1cn(CC(=O)[O-])nn1 ZINC001597717576 988987132 /nfs/dbraw/zinc/98/71/32/988987132.db2.gz FQOBJZAESITXBI-UHFFFAOYSA-N -1 0 308.342 -0.043 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001597722548 988999295 /nfs/dbraw/zinc/99/92/95/988999295.db2.gz BDIFMZONEDBFSS-GHMZBOCLSA-N -1 0 324.337 -0.643 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001597722551 988999618 /nfs/dbraw/zinc/99/96/18/988999618.db2.gz BDIFMZONEDBFSS-WDEREUQCSA-N -1 0 324.337 -0.643 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001597723415 989008917 /nfs/dbraw/zinc/00/89/17/989008917.db2.gz JKAGOKWSBGFREV-GFCCVEGCSA-N -1 0 317.367 -0.153 20 0 DBADRM CC[C@H](F)C(=O)NC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001374733918 989177174 /nfs/dbraw/zinc/17/71/74/989177174.db2.gz PYZCGJLDUIKADG-JTQLQIEISA-N -1 0 321.312 -0.289 20 0 DBADRM Cc1nsc(N(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001374794541 989220391 /nfs/dbraw/zinc/22/03/91/989220391.db2.gz GOWZJVZPVYKODG-UHFFFAOYSA-N -1 0 313.343 -0.898 20 0 DBADRM CCCC(=O)N[C@]1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001536726228 1015457312 /nfs/dbraw/zinc/45/73/12/1015457312.db2.gz DNWFNJIREOYWQE-CYBMUJFWSA-N -1 0 311.342 -0.403 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001375026418 989370311 /nfs/dbraw/zinc/37/03/11/989370311.db2.gz KFYRZZQZTCIEMK-DTWKUNHWSA-N -1 0 323.353 -0.673 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1C/C=C/Cl ZINC001375365811 989574671 /nfs/dbraw/zinc/57/46/71/989574671.db2.gz HQVZSUGRISRHFL-LKVYWMSASA-N -1 0 301.734 -0.368 20 0 DBADRM CCNC(=O)CCCC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001375368168 989575670 /nfs/dbraw/zinc/57/56/70/989575670.db2.gz ZLPREFSXRHXRPO-JTQLQIEISA-N -1 0 324.385 -0.493 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCNC(=O)CC1 ZINC001375454039 989609624 /nfs/dbraw/zinc/60/96/24/989609624.db2.gz KYDQTRPPNKSQNY-VIFPVBQESA-N -1 0 322.369 -0.835 20 0 DBADRM Cn1[nH]c(CNC2(CNC(=O)c3n[nH]cc3F)CC2)nc1=O ZINC001375477968 989619272 /nfs/dbraw/zinc/61/92/72/989619272.db2.gz LHYGZLAOFRJVII-UHFFFAOYSA-N -1 0 309.305 -0.977 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N[C@@]1(CC(=O)[O-])CCOC1)C(C)=O ZINC001596525425 1017155572 /nfs/dbraw/zinc/15/55/72/1017155572.db2.gz BSZZLSDAFUCGLA-IINYFYTJSA-N -1 0 315.322 -0.105 20 0 DBADRM CNC(=O)CCCC(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375817258 989810069 /nfs/dbraw/zinc/81/00/69/989810069.db2.gz FDYJAFVXESUCJL-AWEZNQCLSA-N -1 0 324.385 -0.493 20 0 DBADRM C[C@@]1(NC(=O)C[C@H]2COC(=O)C2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375819935 989811939 /nfs/dbraw/zinc/81/19/39/989811939.db2.gz JQCYUXUWVZXZPH-YMTOWFKASA-N -1 0 323.353 -0.456 20 0 DBADRM C[C@@]1(NC(=O)COCC(F)F)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001375835922 989815166 /nfs/dbraw/zinc/81/51/66/989815166.db2.gz IKOSPDFRBLLZCZ-GFCCVEGCSA-N -1 0 319.312 -0.127 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001376014059 989843187 /nfs/dbraw/zinc/84/31/87/989843187.db2.gz WPQLGLXTZVPHBQ-GOMXZESMSA-N -1 0 321.381 -0.391 20 0 DBADRM O=C(CCc1cn[nH]c1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376068667 989864702 /nfs/dbraw/zinc/86/47/02/989864702.db2.gz TWPFTVDCZOAHOO-LLVKDONJSA-N -1 0 319.369 -0.053 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1nnn(Cc2cc(C)no2)c1C ZINC001539091019 1015517134 /nfs/dbraw/zinc/51/71/34/1015517134.db2.gz JFBBBRVSKAGBHK-UHFFFAOYSA-N -1 0 308.298 -0.661 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC001539085603 1015517542 /nfs/dbraw/zinc/51/75/42/1015517542.db2.gz YUUQEUAYMSMIOS-UHFFFAOYSA-N -1 0 324.362 -0.131 20 0 DBADRM CCS(=O)(=O)c1ccccc1C(=O)NCC(=O)[N-]OC ZINC001538748163 1015518094 /nfs/dbraw/zinc/51/80/94/1015518094.db2.gz ZSTCCYSJOUGIAH-UHFFFAOYSA-N -1 0 300.336 -0.112 20 0 DBADRM Cc1noc(CCC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001376149268 989915352 /nfs/dbraw/zinc/91/53/52/989915352.db2.gz RKDXEHDPWFQUNN-SECBINFHSA-N -1 0 321.341 -0.475 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C[C@H]3CCCCO3)C2)c1[O-] ZINC001376167767 989928931 /nfs/dbraw/zinc/92/89/31/989928931.db2.gz NUNMAFRKJHFBIX-LLVKDONJSA-N -1 0 324.381 -0.231 20 0 DBADRM CCO[N-]C(=O)[C@H](NS(=O)(=O)c1cccs1)[C@H](C)O ZINC001540567991 1015522629 /nfs/dbraw/zinc/52/26/29/1015522629.db2.gz ILWDBCHYLISJLT-IONNQARKSA-N -1 0 308.381 -0.157 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCN1CCCCCC1=O ZINC001540447897 1015522840 /nfs/dbraw/zinc/52/28/40/1015522840.db2.gz LUFMMQUTZQZIBK-UHFFFAOYSA-N -1 0 311.342 -0.402 20 0 DBADRM C[C@H]1CC[C@H](CC(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001376231247 989967610 /nfs/dbraw/zinc/96/76/10/989967610.db2.gz XLULRQVQVZQVTB-QWRGUYRKSA-N -1 0 323.397 -0.001 20 0 DBADRM COC[C@@H](O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-] ZINC001376299618 990009260 /nfs/dbraw/zinc/00/92/60/990009260.db2.gz SIFUVJHHGKLLSJ-TUAOUCFPSA-N -1 0 324.381 -0.280 20 0 DBADRM CN(C)C(=O)/C=C/C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC001542221593 1015529368 /nfs/dbraw/zinc/52/93/68/1015529368.db2.gz IPVLZQFPZIDQTG-SNAWJCMRSA-N -1 0 319.368 -0.508 20 0 DBADRM CC1(C)C[C@H]1C(=O)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376455672 990073822 /nfs/dbraw/zinc/07/38/22/990073822.db2.gz FRUVUEJMIJRHDX-BONVTDFDSA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(C=Cc1ccc2c(c1)NC(=O)CO2)NCc1nnn[n-]1 ZINC001542883041 1015534786 /nfs/dbraw/zinc/53/47/86/1015534786.db2.gz QQGBTXKSFPIVGT-DUXPYHPUSA-N -1 0 300.278 -0.140 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376484827 990104723 /nfs/dbraw/zinc/10/47/23/990104723.db2.gz VTEHOIJHUJHZNU-UEKVPHQBSA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(Cc1cc[nH]n1)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001376584593 990202781 /nfs/dbraw/zinc/20/27/81/990202781.db2.gz YBGQZYVDSQWHNO-NSHDSACASA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N[C@@H](C)c1ncccn1 ZINC001491655339 1015548627 /nfs/dbraw/zinc/54/86/27/1015548627.db2.gz VMDTZXXYVNBPDO-IUCAKERBSA-N -1 0 321.341 -0.665 20 0 DBADRM CCn1cc(C(=O)NCCCNC(=O)c2[nH]nc(C)c2[O-])nn1 ZINC001491668803 1015558022 /nfs/dbraw/zinc/55/80/22/1015558022.db2.gz FOJBFFPTOOKISG-UHFFFAOYSA-N -1 0 321.341 -0.415 20 0 DBADRM CC[C@H](F)C(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001377086858 990439319 /nfs/dbraw/zinc/43/93/19/990439319.db2.gz LKBNKJMQJULLGV-IUCAKERBSA-N -1 0 313.333 -0.282 20 0 DBADRM CCN1CC2(C1)C[C@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)CO2 ZINC001377088126 990440046 /nfs/dbraw/zinc/44/00/46/990440046.db2.gz OICIGPMZGQOPNK-VIFPVBQESA-N -1 0 323.353 -0.805 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ccns1 ZINC001377191822 990476873 /nfs/dbraw/zinc/47/68/73/990476873.db2.gz SWKLOLKAOWIBPA-UHFFFAOYSA-N -1 0 310.339 -0.399 20 0 DBADRM CCCN(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)Cc1n[nH]c(=O)[n-]1 ZINC001377496517 990631148 /nfs/dbraw/zinc/63/11/48/990631148.db2.gz MEFLKUWDHSIBCO-IAZYJMLFSA-N -1 0 309.370 -0.269 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C2CC2)[C@@H]2CCCNC2=O)c1[O-] ZINC001377521261 990639148 /nfs/dbraw/zinc/63/91/48/990639148.db2.gz GBJLWKMYTAUYJD-LLVKDONJSA-N -1 0 321.381 -0.103 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)Cc2c[nH]cn2)c1[O-] ZINC001377536769 990644814 /nfs/dbraw/zinc/64/48/14/990644814.db2.gz KOHMMPGYYIIXGN-ZETCQYMHSA-N -1 0 306.326 -0.376 20 0 DBADRM C[C@](O)(CC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001377966290 990812295 /nfs/dbraw/zinc/81/22/95/990812295.db2.gz NWJPJIUIHUVQFU-AWEZNQCLSA-N -1 0 309.370 -0.391 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)Cc2ccon2)c1[O-] ZINC001378285135 990914553 /nfs/dbraw/zinc/91/45/53/990914553.db2.gz KECSZJGAYIGTKE-JTQLQIEISA-N -1 0 319.321 -0.015 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001378312327 990926438 /nfs/dbraw/zinc/92/64/38/990926438.db2.gz PIVHAZQLKAYUMP-WCBMZHEXSA-N -1 0 323.353 -0.721 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001378312326 990926888 /nfs/dbraw/zinc/92/68/88/990926888.db2.gz PIVHAZQLKAYUMP-SCZZXKLOSA-N -1 0 323.353 -0.721 20 0 DBADRM CCOC(=O)[C@@]1(C)CN(C(=O)NCCOCC(=O)[O-])CCO1 ZINC001596552903 1017157653 /nfs/dbraw/zinc/15/76/53/1017157653.db2.gz SNKSWZQFNFRQRU-CYBMUJFWSA-N -1 0 318.326 -0.549 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNCc2nnn(C)n2)c1[O-] ZINC001378557075 991032959 /nfs/dbraw/zinc/03/29/59/991032959.db2.gz SETCHXHCWPVVTN-ZETCQYMHSA-N -1 0 308.346 -0.897 20 0 DBADRM O=C(Cc1ccoc1)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001378659245 991091428 /nfs/dbraw/zinc/09/14/28/991091428.db2.gz NXNOMINMWLJLRC-NSHDSACASA-N -1 0 321.337 -0.337 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001378731173 991131167 /nfs/dbraw/zinc/13/11/67/991131167.db2.gz UXHSXTAURHTLFD-MRVPVSSYSA-N -1 0 323.353 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)Cc3c[nH]cn3)CC2)c1[O-] ZINC001378752167 991147238 /nfs/dbraw/zinc/14/72/38/991147238.db2.gz ZSCNUJIKFXULKL-UHFFFAOYSA-N -1 0 318.337 -0.232 20 0 DBADRM C[C@H](CNCc1ccon1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001378795095 991183966 /nfs/dbraw/zinc/18/39/66/991183966.db2.gz FQOISWABNUVENR-SSDOTTSWSA-N -1 0 308.298 -0.479 20 0 DBADRM CC[C@@H](F)C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001378984759 991261281 /nfs/dbraw/zinc/26/12/81/991261281.db2.gz GIOBIDXLWQNYSU-SSDOTTSWSA-N -1 0 315.305 -0.798 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001378985736 991262892 /nfs/dbraw/zinc/26/28/92/991262892.db2.gz KRNGPOYMDQIMRF-IUCAKERBSA-N -1 0 323.353 -0.500 20 0 DBADRM Cc1cc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001379021095 991282905 /nfs/dbraw/zinc/28/29/05/991282905.db2.gz BDWMEGOBHSIJBM-UHFFFAOYSA-N -1 0 307.358 -0.244 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C(C)=O ZINC001596526349 1017158500 /nfs/dbraw/zinc/15/85/00/1017158500.db2.gz MHVYGANJZQKNBW-OPRDCNLKSA-N -1 0 301.295 -0.809 20 0 DBADRM CCCC(=O)N(C)C1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001379255220 991483553 /nfs/dbraw/zinc/48/35/53/991483553.db2.gz SLURMKYNQPNIQA-UHFFFAOYSA-N -1 0 323.353 -0.315 20 0 DBADRM Cc1ncc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)s1 ZINC001379372687 991601675 /nfs/dbraw/zinc/60/16/75/991601675.db2.gz WTEMKXJVNFEWTB-ZETCQYMHSA-N -1 0 312.355 -0.844 20 0 DBADRM CN(C(=O)CC1(C)CC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001379404649 991638536 /nfs/dbraw/zinc/63/85/36/991638536.db2.gz XNHQOGCHGFLFOW-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNCc2nc(N(C)C)no2)c1[O-] ZINC001379491610 991721043 /nfs/dbraw/zinc/72/10/43/991721043.db2.gz CJRJTKSHWXJANK-ZETCQYMHSA-N -1 0 323.357 -0.219 20 0 DBADRM CC(=O)NC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CCCC1 ZINC001379572580 991800830 /nfs/dbraw/zinc/80/08/30/991800830.db2.gz HVHMUMVAYGLLRB-JTQLQIEISA-N -1 0 311.342 -0.500 20 0 DBADRM CC(=O)NC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CCCC1 ZINC001379572583 991801341 /nfs/dbraw/zinc/80/13/41/991801341.db2.gz HVHMUMVAYGLLRB-SNVBAGLBSA-N -1 0 311.342 -0.500 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)CCO1 ZINC001596580766 1017159444 /nfs/dbraw/zinc/15/94/44/1017159444.db2.gz OBVSWPBISNQLHB-SNVBAGLBSA-N -1 0 311.294 -0.628 20 0 DBADRM Cc1ccnc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001379669688 991842684 /nfs/dbraw/zinc/84/26/84/991842684.db2.gz YIWWWIBSIWZSPL-SECBINFHSA-N -1 0 305.342 -0.141 20 0 DBADRM C[C@H](CN(C)Cc1nccn1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001379700638 991856878 /nfs/dbraw/zinc/85/68/78/991856878.db2.gz AGJRIJBTXBLPBW-MRVPVSSYSA-N -1 0 321.341 -0.733 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001491906063 1015665493 /nfs/dbraw/zinc/66/54/93/1015665493.db2.gz CUSBXYBIXZUMNG-ONGXEEELSA-N -1 0 324.385 -0.542 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001379726438 991864467 /nfs/dbraw/zinc/86/44/67/991864467.db2.gz VOUPQXZMJSDYHC-XPTSAGLGSA-N -1 0 324.385 -0.637 20 0 DBADRM C[C@@H](CN(C)Cc1ccn(C)n1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001379783602 991911203 /nfs/dbraw/zinc/91/12/03/991911203.db2.gz HFHYNHSQZUQOHN-VIFPVBQESA-N -1 0 323.357 -0.941 20 0 DBADRM CCC(=O)NC[C@@]1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001379888014 992007993 /nfs/dbraw/zinc/00/79/93/992007993.db2.gz SRRRCDVEQMKLDZ-CYBMUJFWSA-N -1 0 309.326 -0.339 20 0 DBADRM COCCC(=O)NC[C@H]1CCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC001379933806 992041431 /nfs/dbraw/zinc/04/14/31/992041431.db2.gz FXRKDCICNPTBPN-GFCCVEGCSA-N -1 0 319.365 -0.250 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001379973835 992074642 /nfs/dbraw/zinc/07/46/42/992074642.db2.gz VBVKVMSFCMHXAA-QCNOEVLYSA-N -1 0 323.397 -0.193 20 0 DBADRM Cn1[nH]c(CNC2(CNC(=O)C3=CCOCC3)CC2)nc1=O ZINC001380067532 992118965 /nfs/dbraw/zinc/11/89/65/992118965.db2.gz BRAMOHRGDCXGGI-UHFFFAOYSA-N -1 0 307.354 -0.807 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@]2(O)CCN(C(=O)C3CCC3)C2)c1[O-] ZINC001380141352 992173418 /nfs/dbraw/zinc/17/34/18/992173418.db2.gz USROBXGNXLRMAY-OAHLLOKOSA-N -1 0 322.365 -0.083 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)CCO1 ZINC001596579887 1017160764 /nfs/dbraw/zinc/16/07/64/1017160764.db2.gz GQRMZRDXZYPQJW-JTQLQIEISA-N -1 0 311.294 -0.628 20 0 DBADRM CCC(=O)NC1CC(CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001380245714 992210755 /nfs/dbraw/zinc/21/07/55/992210755.db2.gz MXYXSDZKBIAZLX-UHFFFAOYSA-N -1 0 323.353 -0.364 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H](C)NC(=O)C(C)(C)F ZINC001380361226 992276676 /nfs/dbraw/zinc/27/66/76/992276676.db2.gz SCEWUHSDQHUETD-PHDIDXHHSA-N -1 0 315.305 -0.346 20 0 DBADRM CC(F)(F)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380521764 992351868 /nfs/dbraw/zinc/35/18/68/992351868.db2.gz PECMDNSOTOHXNK-LLVKDONJSA-N -1 0 305.285 -0.782 20 0 DBADRM Cn1ccc(C(=O)NC[C@@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001380528274 992360901 /nfs/dbraw/zinc/36/09/01/992360901.db2.gz VNWGQMLUWYQRJL-AWEZNQCLSA-N -1 0 320.353 -0.784 20 0 DBADRM Cc1ccc(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001380576864 992410422 /nfs/dbraw/zinc/41/04/22/992410422.db2.gz JQRYRHMRFWNMKD-UHFFFAOYSA-N -1 0 318.337 -0.810 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001380601851 992430433 /nfs/dbraw/zinc/43/04/33/992430433.db2.gz TYHJBGNJARUCOL-GMTAPVOTSA-N -1 0 321.381 -0.391 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCC(=O)N[C@@H]2c2cncn2C)c1[O-] ZINC001549169462 1015709015 /nfs/dbraw/zinc/70/90/15/1015709015.db2.gz ZIBLJLMXHJNOMX-KCJUWKMLSA-N -1 0 318.337 -0.093 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)CCn1ccccc1=O)C2 ZINC001549218646 1015709888 /nfs/dbraw/zinc/70/98/88/1015709888.db2.gz CDLKNIUBHKZCLY-ABAIWWIYSA-N -1 0 306.318 -0.202 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)CNC(=O)c1ccccn1)C2 ZINC001549218499 1015710114 /nfs/dbraw/zinc/71/01/14/1015710114.db2.gz BBUYGQSDTATAOD-ZUZCIYMTSA-N -1 0 319.317 -0.629 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCc1nnc(C3CC3)[nH]1)C2 ZINC001549207517 1015710732 /nfs/dbraw/zinc/71/07/32/1015710732.db2.gz COJXEWSZLHHIOF-XPTSAGLGSA-N -1 0 321.337 -0.075 20 0 DBADRM C[C@H](CNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C)C(=O)[O-] ZINC001549175003 1015711467 /nfs/dbraw/zinc/71/14/67/1015711467.db2.gz BZQYPPWEDPMHLO-LNLATYFQSA-N -1 0 323.353 -0.288 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549222011 1015712087 /nfs/dbraw/zinc/71/20/87/1015712087.db2.gz LOONBRBGXWPHTR-RNCFNFMXSA-N -1 0 319.379 -0.241 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)c1nccn3ccnc13)C2 ZINC001549223366 1015712351 /nfs/dbraw/zinc/71/23/51/1015712351.db2.gz OQGLZNAXZBZRAN-LKFCYVNXSA-N -1 0 302.290 -0.098 20 0 DBADRM COCCn1ccc(C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001549219685 1015712755 /nfs/dbraw/zinc/71/27/55/1015712755.db2.gz CJQPKSSLZAWOJK-YGRLFVJLSA-N -1 0 309.322 -0.297 20 0 DBADRM Cc1nc(C(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)c(=O)[nH]c1C ZINC001549223938 1015713091 /nfs/dbraw/zinc/71/30/91/1015713091.db2.gz QMPJRQZMZBKZKW-LKFCYVNXSA-N -1 0 307.306 -0.440 20 0 DBADRM CO[C@H](C(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1)c1cnn(C)c1 ZINC001549227299 1015713421 /nfs/dbraw/zinc/71/34/21/1015713421.db2.gz APEYYOASHCKNPP-COPLHBTASA-N -1 0 309.322 -0.333 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549219222 1015713700 /nfs/dbraw/zinc/71/37/00/1015713700.db2.gz AXBPTPAJZPOROH-XPTSAGLGSA-N -1 0 307.306 -0.703 20 0 DBADRM CCOC(=O)CNC(=O)[C@@H]1COCCN1C/C=C(/C)C(=O)[O-] ZINC001596624478 1017162487 /nfs/dbraw/zinc/16/24/87/1017162487.db2.gz KYXDGFYOPILQMS-FGUAACIASA-N -1 0 314.338 -0.603 20 0 DBADRM Cn1cc(C(=O)NCC2(NCc3nc(=O)n(C)[nH]3)CCC2)cn1 ZINC001380844570 992560675 /nfs/dbraw/zinc/56/06/75/992560675.db2.gz SUHZCNHYLDQZTB-UHFFFAOYSA-N -1 0 319.369 -0.716 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001596595138 1017162564 /nfs/dbraw/zinc/16/25/64/1017162564.db2.gz QOKXIVDQOSLJGW-GHMZBOCLSA-N -1 0 310.306 -0.492 20 0 DBADRM NC(=O)c1cc(Cl)nnc1N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001549300563 1015718569 /nfs/dbraw/zinc/71/85/69/1015718569.db2.gz YCPVEQSTOMXZCW-PWCHPLFNSA-N -1 0 312.713 -0.234 20 0 DBADRM CCC(=O)NCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001380926882 992594962 /nfs/dbraw/zinc/59/49/62/992594962.db2.gz QNRTZUYJKMAMIM-JTQLQIEISA-N -1 0 324.385 -0.493 20 0 DBADRM CN(CCCN(C)C(=O)c1ncn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001380956739 992608208 /nfs/dbraw/zinc/60/82/08/992608208.db2.gz LRYVOAIIHPCPPX-UHFFFAOYSA-N -1 0 308.346 -0.767 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1CCC(=O)N1C)Cc1n[nH]c(=O)[n-]1 ZINC001380968459 992612936 /nfs/dbraw/zinc/61/29/36/992612936.db2.gz FAFSRCPRVWVHIW-SNVBAGLBSA-N -1 0 324.385 -0.589 20 0 DBADRM CC(=O)N1CC(CCO)(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001380987666 992621493 /nfs/dbraw/zinc/62/14/93/992621493.db2.gz JKVXUMUAIPDGAU-UHFFFAOYSA-N -1 0 320.305 -0.359 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001549307074 1015722326 /nfs/dbraw/zinc/72/23/26/1015722326.db2.gz ZJELLUSDWCUSJB-CQDKDKBSSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C(C(F)F)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001381033534 992635707 /nfs/dbraw/zinc/63/57/07/992635707.db2.gz UYTAHXXSGYJNCK-NSHDSACASA-N -1 0 305.285 -0.782 20 0 DBADRM CCOC(=O)CN(C)C(=O)COC(=O)c1ccc(C(=O)[O-])nc1 ZINC001596616230 1017162692 /nfs/dbraw/zinc/16/26/92/1017162692.db2.gz UOOSWFQASUPHBF-UHFFFAOYSA-N -1 0 324.289 -0.042 20 0 DBADRM CCOC(=O)CCC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001596600012 1017162774 /nfs/dbraw/zinc/16/27/74/1017162774.db2.gz HIWFEHFMWBGAMJ-UHFFFAOYSA-N -1 0 321.351 -0.522 20 0 DBADRM CCOCC(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001492189387 1015732163 /nfs/dbraw/zinc/73/21/63/1015732163.db2.gz SOJRYJHLDJKREV-UHFFFAOYSA-N -1 0 307.354 -0.393 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001596620241 1017162822 /nfs/dbraw/zinc/16/28/22/1017162822.db2.gz RIRURLLGHOFOMR-MGCOHNPYSA-N -1 0 314.338 -0.246 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381522543 992825838 /nfs/dbraw/zinc/82/58/38/992825838.db2.gz ATAXHXKOGQDKOF-IUCAKERBSA-N -1 0 312.374 -0.639 20 0 DBADRM Cc1cc(C)n(CC(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001381543916 992832122 /nfs/dbraw/zinc/83/21/22/992832122.db2.gz JVKILUYZBPIBLE-NSHDSACASA-N -1 0 321.385 -0.040 20 0 DBADRM C[C@@H](CNC(=O)c1cn(C)ccc1=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381547587 992835070 /nfs/dbraw/zinc/83/50/70/992835070.db2.gz UJKDLSYWPYUIGU-VIFPVBQESA-N -1 0 320.353 -0.541 20 0 DBADRM CCNC(=O)CCC(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381767816 992875413 /nfs/dbraw/zinc/87/54/13/992875413.db2.gz DBYLCWBIWQRARC-SECBINFHSA-N -1 0 324.385 -0.637 20 0 DBADRM CC[C@H](C)C(=O)N(C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001381859257 992900925 /nfs/dbraw/zinc/90/09/25/992900925.db2.gz LMPPWGCPQHMSTK-JGVFFNPUSA-N -1 0 311.342 -0.094 20 0 DBADRM CC[C@H](C)C(=O)N(C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001381859265 992900964 /nfs/dbraw/zinc/90/09/64/992900964.db2.gz LMPPWGCPQHMSTK-YUMQZZPRSA-N -1 0 311.342 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)Cc2cc[nH]n2)c1[O-] ZINC001381908303 992918301 /nfs/dbraw/zinc/91/83/01/992918301.db2.gz BNMCVNIMUOTAET-MRVPVSSYSA-N -1 0 320.353 -0.034 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)c2cnnn2C)c1[O-] ZINC001381950255 992933817 /nfs/dbraw/zinc/93/38/17/992933817.db2.gz UFBRJGNOQWKBBS-ZETCQYMHSA-N -1 0 321.341 -0.557 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001382120745 992996988 /nfs/dbraw/zinc/99/69/88/992996988.db2.gz LXMVPKXLWYWWRT-NKWVEPMBSA-N -1 0 315.305 -0.392 20 0 DBADRM CCOC(=O)CC1(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)COC1 ZINC001596594882 1017163109 /nfs/dbraw/zinc/16/31/09/1017163109.db2.gz XAIXEJZMKLDNMF-BDAKNGLRSA-N -1 0 301.295 -0.543 20 0 DBADRM CN(CCNC(=O)c1c(Cl)cnn1C)Cc1n[nH]c(=O)[n-]1 ZINC001492257850 1015754571 /nfs/dbraw/zinc/75/45/71/1015754571.db2.gz UVHNLNACYMGJDK-UHFFFAOYSA-N -1 0 313.749 -0.241 20 0 DBADRM Cc1sccc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001382202176 993048209 /nfs/dbraw/zinc/04/82/09/993048209.db2.gz LXSFNBAAFXLRFF-MRVPVSSYSA-N -1 0 311.367 -0.239 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001596607204 1017163094 /nfs/dbraw/zinc/16/30/94/1017163094.db2.gz HMOVVVIEDYBGGN-GFCCVEGCSA-N -1 0 323.367 -0.260 20 0 DBADRM CCc1ccccc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001382233388 993075467 /nfs/dbraw/zinc/07/54/67/993075467.db2.gz GSYPQMYVZPOQHP-NSHDSACASA-N -1 0 319.365 -0.047 20 0 DBADRM CCC(=O)NC[C@@H](CO)NC(=O)c1n[n-]c2ccccc2c1=O ZINC001382262392 993102805 /nfs/dbraw/zinc/10/28/05/993102805.db2.gz GXJKOOPZXIOJBA-VIFPVBQESA-N -1 0 318.333 -0.048 20 0 DBADRM CCOC(=O)CC1(NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)COC1 ZINC001596594237 1017163255 /nfs/dbraw/zinc/16/32/55/1017163255.db2.gz LKRUHTMDHVSUPD-DTORHVGOSA-N -1 0 321.351 -0.509 20 0 DBADRM CCOC(=O)C[C@H](SCC(=O)NCC(=O)[O-])C(=O)OCC ZINC001596594651 1017163299 /nfs/dbraw/zinc/16/32/99/1017163299.db2.gz SIICAYYQFCHEQD-QMMMGPOBSA-N -1 0 321.351 -0.195 20 0 DBADRM O=C(CCC(F)(F)F)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001382371440 993178045 /nfs/dbraw/zinc/17/80/45/993178045.db2.gz QHLAXXJECHSGCE-ZCFIWIBFSA-N -1 0 309.248 -0.646 20 0 DBADRM Cc1c[nH]cc1C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001382480296 993314204 /nfs/dbraw/zinc/31/42/04/993314204.db2.gz IECSPVGZLIJGGS-JTQLQIEISA-N -1 0 322.369 -0.288 20 0 DBADRM CN(CCNC(=O)c1cn2cccnc2n1)Cc1n[nH]c(=O)[n-]1 ZINC001492321279 1015775528 /nfs/dbraw/zinc/77/55/28/1015775528.db2.gz NJSGGKRRXJLXNZ-UHFFFAOYSA-N -1 0 316.325 -0.585 20 0 DBADRM Cc1noc(C)c1CN(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001492323356 1015777532 /nfs/dbraw/zinc/77/75/32/1015777532.db2.gz BEGPJQSSVIAHDJ-UHFFFAOYSA-N -1 0 322.325 -0.251 20 0 DBADRM C[C@@H](NC(=O)CC1CC1)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001382714468 993405137 /nfs/dbraw/zinc/40/51/37/993405137.db2.gz VHBOZRLQFOSOCY-RQJHMYQMSA-N -1 0 309.326 -0.294 20 0 DBADRM C[C@H](NC(=O)CC1CC1)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001382714462 993405162 /nfs/dbraw/zinc/40/51/62/993405162.db2.gz VHBOZRLQFOSOCY-BQBZGAKWSA-N -1 0 309.326 -0.294 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NC(=O)Cn2cncn2)c1[O-] ZINC001382765744 993417833 /nfs/dbraw/zinc/41/78/33/993417833.db2.gz NILFSGWOVAQNBE-HTQZYQBOSA-N -1 0 321.341 -0.662 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NC(=O)Cn2cncn2)c1[O-] ZINC001382765748 993418401 /nfs/dbraw/zinc/41/84/01/993418401.db2.gz NILFSGWOVAQNBE-JGVFFNPUSA-N -1 0 321.341 -0.662 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)NC(=O)C1=CCCC1 ZINC001382770348 993419932 /nfs/dbraw/zinc/41/99/32/993419932.db2.gz RHUZBVAHQKDVBS-IUCAKERBSA-N -1 0 323.353 -0.191 20 0 DBADRM C[C@@H](CNC(=O)C1(C)CC1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001382980936 993481496 /nfs/dbraw/zinc/48/14/96/993481496.db2.gz DMAALDYFIWJSNX-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@H](CC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001492360056 1015787133 /nfs/dbraw/zinc/78/71/33/1015787133.db2.gz YAUTZMVHZLEPQW-SNVBAGLBSA-N -1 0 321.385 -0.014 20 0 DBADRM CC(C)(C)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC1 ZINC001383196403 993578027 /nfs/dbraw/zinc/57/80/27/993578027.db2.gz MEFFDJRLLJGGOH-MRVPVSSYSA-N -1 0 323.353 -0.047 20 0 DBADRM CN(CCCNC(=O)C1(C)CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001492385476 1015794283 /nfs/dbraw/zinc/79/42/83/1015794283.db2.gz VHBMIPPRXZBAEG-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM CC(=O)N[C@H]1C[C@H](CNC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001383434997 993650168 /nfs/dbraw/zinc/65/01/68/993650168.db2.gz RKKLOYUZUMQOBA-MGCOHNPYSA-N -1 0 311.342 -0.500 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC[C@H]1C ZINC001383483962 993665617 /nfs/dbraw/zinc/66/56/17/993665617.db2.gz CORVNTGLFATTAB-PSASIEDQSA-N -1 0 323.353 -0.269 20 0 DBADRM CC(C)N1C(=O)CC[C@@H]1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001550346613 1015802740 /nfs/dbraw/zinc/80/27/40/1015802740.db2.gz RFELUQMSXGMXEP-RWSFTLGLSA-N -1 0 310.350 -0.055 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CNC(=O)N1CCCC1)C2 ZINC001550345744 1015802971 /nfs/dbraw/zinc/80/29/71/1015802971.db2.gz MBBIQPZBGFRYAB-HZMBPMFUSA-N -1 0 311.338 -0.649 20 0 DBADRM CCOC(=O)N1CC[C@H](NC(=O)NCCOCC(=O)[O-])C1 ZINC001596645913 1017165886 /nfs/dbraw/zinc/16/58/86/1017165886.db2.gz FPPFPVQBWWMKCY-VIFPVBQESA-N -1 0 303.315 -0.382 20 0 DBADRM CCN(C(=O)C1CC1)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001383767777 993741342 /nfs/dbraw/zinc/74/13/42/993741342.db2.gz NMIWOQGEVNRPLP-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)NC1)NC(=O)c1cn[nH]n1 ZINC001383806007 993752004 /nfs/dbraw/zinc/75/20/04/993752004.db2.gz JGVVFVXJHCZREP-YMTOWFKASA-N -1 0 322.369 -0.702 20 0 DBADRM CCOC(=O)N1CSC[C@@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001596654213 1017165680 /nfs/dbraw/zinc/16/56/80/1017165680.db2.gz CAEBXQOTKWHSNB-PRJMDXOYSA-N -1 0 306.340 -0.532 20 0 DBADRM CCOC(=O)c1nc[nH]c1CNS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001596690987 1017167096 /nfs/dbraw/zinc/16/70/96/1017167096.db2.gz BONVAKANSBENCT-ZETCQYMHSA-N -1 0 319.339 -0.274 20 0 DBADRM Cn1nccc1[C@H]1[C@@H](N=c2nn[n-]n2C)CCC(=O)N1C1CC1 ZINC001551185513 1015818399 /nfs/dbraw/zinc/81/83/99/1015818399.db2.gz XKXDYAQXBKIWGX-GXFFZTMASA-N -1 0 316.369 -0.328 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001384100296 993957793 /nfs/dbraw/zinc/95/77/93/993957793.db2.gz DKCSRUVTZMPAFN-IWSPIJDZSA-N -1 0 323.353 -0.094 20 0 DBADRM CN(CCNC(=O)[C@H]1CC12CCOCC2)Cc1n[nH]c(=O)[n-]1 ZINC001492894619 1015822873 /nfs/dbraw/zinc/82/28/73/1015822873.db2.gz JEWWPROIHNVJFB-SNVBAGLBSA-N -1 0 309.370 -0.125 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H]2C[C@@H]2C)c1[O-] ZINC001384231043 994045405 /nfs/dbraw/zinc/04/54/05/994045405.db2.gz SRRSMIDZCPQFEG-HGNGGELXSA-N -1 0 310.354 -0.371 20 0 DBADRM O=C(COc1cccnc1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400421677 994137438 /nfs/dbraw/zinc/13/74/38/994137438.db2.gz YZEMMGWMKHFYJP-UHFFFAOYSA-N -1 0 304.310 -0.715 20 0 DBADRM Cc1nn(C)cc1CC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400501037 994190388 /nfs/dbraw/zinc/19/03/88/994190388.db2.gz CBLCPTWCWQVPMZ-UHFFFAOYSA-N -1 0 319.369 -0.657 20 0 DBADRM CCC(=O)NCCC1(CNC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001384649333 994210783 /nfs/dbraw/zinc/21/07/83/994210783.db2.gz KEYSZSKYHIHDRU-UHFFFAOYSA-N -1 0 322.365 -0.088 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3cnnn3C)CC2)c1[O-] ZINC001400553761 994225146 /nfs/dbraw/zinc/22/51/46/994225146.db2.gz RCQHOKKTDYBFQX-UHFFFAOYSA-N -1 0 319.325 -0.755 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3cncn3C)CC2)c1[O-] ZINC001400616500 994259269 /nfs/dbraw/zinc/25/92/69/994259269.db2.gz MNZBVUWHRAISKE-UHFFFAOYSA-N -1 0 318.337 -0.150 20 0 DBADRM CC(=O)N1CC[C@@]2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CCC[C@@H]12 ZINC001385187132 994398039 /nfs/dbraw/zinc/39/80/39/994398039.db2.gz QRIOSRWYKRDVOB-QMTHXVAHSA-N -1 0 323.353 -0.403 20 0 DBADRM CN1C[C@H](NC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)CCC1=O ZINC001552398350 1015857599 /nfs/dbraw/zinc/85/75/99/1015857599.db2.gz GZGGUPWEPLIIME-IMSIIYSGSA-N -1 0 311.338 -0.650 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552403290 1015857946 /nfs/dbraw/zinc/85/79/46/1015857946.db2.gz NDQQDKUREINJFU-RBZYPMLTSA-N -1 0 313.354 -0.404 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)NCCN1CCCC1=O)C2 ZINC001552397375 1015858068 /nfs/dbraw/zinc/85/80/68/1015858068.db2.gz FNXWTHKMTCGHKN-YGRLFVJLSA-N -1 0 311.338 -0.649 20 0 DBADRM C[C@H](NC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1)c1ncnn1C ZINC001552401980 1015858074 /nfs/dbraw/zinc/85/80/74/1015858074.db2.gz ISMQRICRTMHHAX-MWODSPESSA-N -1 0 309.326 -0.381 20 0 DBADRM C[C@@H](NC[C@@H](O)COc1ccc(C(=O)[O-])cc1)c1nnnn1C ZINC001593246166 994446777 /nfs/dbraw/zinc/44/67/77/994446777.db2.gz IAWQLOQHZJMDMX-MWLCHTKSSA-N -1 0 321.337 -0.001 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552655311 1015866523 /nfs/dbraw/zinc/86/65/23/1015866523.db2.gz REORMSYXRGYDIY-RWEMILLDSA-N -1 0 315.326 -0.863 20 0 DBADRM CC(C)CC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001493201543 1015868054 /nfs/dbraw/zinc/86/80/54/1015868054.db2.gz DZCLODVIZBPNPW-QMMMGPOBSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001385575113 994543773 /nfs/dbraw/zinc/54/37/73/994543773.db2.gz DHKYCJYLODMEOG-SCZZXKLOSA-N -1 0 323.353 -0.721 20 0 DBADRM CCO[C@@H]1C[C@H](N2C(=O)N[C@H](CCC(=O)[O-])C2=O)[C@@H]1OC ZINC001596814530 1017169768 /nfs/dbraw/zinc/16/97/68/1017169768.db2.gz ZIYCGUBMQHNSJT-LOKLDPHHSA-N -1 0 300.311 -0.036 20 0 DBADRM CN(CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ccon1 ZINC001401424303 994567926 /nfs/dbraw/zinc/56/79/26/994567926.db2.gz BCWXNJZIFMBJNO-UHFFFAOYSA-N -1 0 310.314 -0.732 20 0 DBADRM CC1(CC(=O)N[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001385668958 994587365 /nfs/dbraw/zinc/58/73/65/994587365.db2.gz CELQQLSALUMFGW-QMMMGPOBSA-N -1 0 321.337 -0.196 20 0 DBADRM COC[C@@H](OC)C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001493236978 1015873719 /nfs/dbraw/zinc/87/37/19/1015873719.db2.gz OQWRSKQKRSFNMV-NXEZZACHSA-N -1 0 313.358 -0.890 20 0 DBADRM COC[C@H](OC)C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001493236981 1015873795 /nfs/dbraw/zinc/87/37/95/1015873795.db2.gz OQWRSKQKRSFNMV-ZJUUUORDSA-N -1 0 313.358 -0.890 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001385683189 994595389 /nfs/dbraw/zinc/59/53/89/994595389.db2.gz LOOLXPMPYNWEMK-APPZFPTMSA-N -1 0 323.353 -0.047 20 0 DBADRM O=C(NC[C@H](NC(=O)C1CC1)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001385925761 994687762 /nfs/dbraw/zinc/68/77/62/994687762.db2.gz STDLZPPOCANKOB-QMMMGPOBSA-N -1 0 307.310 -0.683 20 0 DBADRM CC1(C(=O)N[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C2CC2)CC1 ZINC001385927446 994690175 /nfs/dbraw/zinc/69/01/75/994690175.db2.gz YBEBUAMFEVTIRF-MRVPVSSYSA-N -1 0 321.337 -0.293 20 0 DBADRM CCCN(CCNC(=O)c1cc[n+]([O-])cc1)Cc1n[nH]c(=O)[n-]1 ZINC001493273133 1015883354 /nfs/dbraw/zinc/88/33/54/1015883354.db2.gz GIPRCHPAESQRPF-UHFFFAOYSA-N -1 0 320.353 -0.214 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)CCCF)C1 ZINC001386097899 994744822 /nfs/dbraw/zinc/74/48/22/994744822.db2.gz INTZULRNIQKRCQ-QMMMGPOBSA-N -1 0 315.305 -0.844 20 0 DBADRM CC(C)CCC(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386160122 994775996 /nfs/dbraw/zinc/77/59/96/994775996.db2.gz OAFBEXZQUDDELC-MRVPVSSYSA-N -1 0 311.342 -0.047 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)CCn2cncn2)c1[O-] ZINC001386168385 994780226 /nfs/dbraw/zinc/78/02/26/994780226.db2.gz DEXCSYHXBMKHNN-MRVPVSSYSA-N -1 0 321.341 -0.660 20 0 DBADRM CCC[C@@H](C)C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001386199902 994799844 /nfs/dbraw/zinc/79/98/44/994799844.db2.gz IXFWLISRYWDUNF-RKDXNWHRSA-N -1 0 313.358 -0.254 20 0 DBADRM CCC[C@@H](C)C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001386199895 994800321 /nfs/dbraw/zinc/80/03/21/994800321.db2.gz IXFWLISRYWDUNF-BDAKNGLRSA-N -1 0 313.358 -0.254 20 0 DBADRM CC[C@H](F)C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001386208258 994804081 /nfs/dbraw/zinc/80/40/81/994804081.db2.gz KZTGCQXCTFOKPI-ACZMJKKPSA-N -1 0 313.289 -0.592 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)CC2(O)CCC2)c1[O-] ZINC001386228118 994813457 /nfs/dbraw/zinc/81/34/57/994813457.db2.gz NSUXSUYXVDKQCH-QMMMGPOBSA-N -1 0 310.354 -0.037 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2cnnn2C)c1[O-] ZINC001386240596 994818714 /nfs/dbraw/zinc/81/87/14/994818714.db2.gz CMARXQXRRLCMFW-ZCFIWIBFSA-N -1 0 307.314 -0.899 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2cnnn2C)c1[O-] ZINC001386240592 994818770 /nfs/dbraw/zinc/81/87/70/994818770.db2.gz CMARXQXRRLCMFW-LURJTMIESA-N -1 0 307.314 -0.899 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2ccn(C)n2)c1[O-] ZINC001386269021 994838357 /nfs/dbraw/zinc/83/83/57/994838357.db2.gz IYTIMHCGZOTXPJ-ZETCQYMHSA-N -1 0 306.326 -0.294 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2CC(=O)NC(C)C)c1[O-] ZINC001401898019 994846986 /nfs/dbraw/zinc/84/69/86/994846986.db2.gz VVUZZOWEXCGCIL-JTQLQIEISA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(CCc1cnccn1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001401977584 994874316 /nfs/dbraw/zinc/87/43/16/994874316.db2.gz XNXDVXTZPKHQCT-UHFFFAOYSA-N -1 0 317.353 -0.329 20 0 DBADRM O=C(CCCn1cccn1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001401988206 994878614 /nfs/dbraw/zinc/87/86/14/994878614.db2.gz PROGJLNXQXWHSZ-UHFFFAOYSA-N -1 0 319.369 -0.074 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001402010288 994882572 /nfs/dbraw/zinc/88/25/72/994882572.db2.gz YNCPXPGEMFBLIN-CQSZACIVSA-N -1 0 322.369 -0.929 20 0 DBADRM CCC(CC)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386403805 994888796 /nfs/dbraw/zinc/88/87/96/994888796.db2.gz NUSWMRABYAJUMT-SSDOTTSWSA-N -1 0 311.342 -0.047 20 0 DBADRM CCN1C(=O)CO[C@H](C(=O)[N-]OCCF)[C@@H]1c1nccn1C ZINC001553622877 1015902719 /nfs/dbraw/zinc/90/27/19/1015902719.db2.gz BMHSQTAPBBJFEK-MNOVXSKESA-N -1 0 314.317 -0.274 20 0 DBADRM CCN(CCOCCO)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001556326710 1015915428 /nfs/dbraw/zinc/91/54/28/1015915428.db2.gz YUXPACYHQYFPNZ-UHFFFAOYSA-N -1 0 320.353 -0.454 20 0 DBADRM O=C(NCC1(O)CN(Cc2cc(=O)n3[n-]ccc3n2)C1)C1CC1 ZINC001402287257 995046151 /nfs/dbraw/zinc/04/61/51/995046151.db2.gz PAVJUJLOJQJLGX-UHFFFAOYSA-N -1 0 317.349 -0.905 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3ccn(C)n3)C2)c1[O-] ZINC001402318969 995072785 /nfs/dbraw/zinc/07/27/85/995072785.db2.gz KAKUTFNRDOLWPZ-UHFFFAOYSA-N -1 0 320.353 -0.866 20 0 DBADRM C[C@@H](Sc1nc(CC(=O)[N-]OCCO)cs1)C(N)=O ZINC001556278777 1015915866 /nfs/dbraw/zinc/91/58/66/1015915866.db2.gz GSIIBAATFYCBLQ-ZCFIWIBFSA-N -1 0 305.381 -0.308 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCCO ZINC001556279625 1015916710 /nfs/dbraw/zinc/91/67/10/1015916710.db2.gz LCYTUOKEQOCYDP-SECBINFHSA-N -1 0 320.342 -0.127 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)CCn2ccnn2)c1[O-] ZINC001386850088 995127928 /nfs/dbraw/zinc/12/79/28/995127928.db2.gz GYRWOBOUYGGVQQ-UHFFFAOYSA-N -1 0 321.341 -0.706 20 0 DBADRM C[C@H](C(=O)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001402446885 995142322 /nfs/dbraw/zinc/14/23/22/995142322.db2.gz HQUSDRKLBDMPCA-ZUZCIYMTSA-N -1 0 323.397 -0.001 20 0 DBADRM CC[C@]1(C)NC(=O)N(NC(=O)c2c[n-]n3c2nccc3=O)C1=O ZINC001556439381 1015919323 /nfs/dbraw/zinc/91/93/23/1015919323.db2.gz MQHCVFNBEXMGLL-ZDUSSCGKSA-N -1 0 318.293 -0.612 20 0 DBADRM C[C@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)C1(C)CC1 ZINC001386920941 995174526 /nfs/dbraw/zinc/17/45/26/995174526.db2.gz MKGGBPZVGMPMRQ-MRVPVSSYSA-N -1 0 323.353 -0.364 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC1CCC1 ZINC001386983620 995201579 /nfs/dbraw/zinc/20/15/79/995201579.db2.gz OOHGLSSBYOIPGE-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM CN(CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C(=O)C1CCC1 ZINC001386988029 995202636 /nfs/dbraw/zinc/20/26/36/995202636.db2.gz UJGFPSPIOCYIBS-UHFFFAOYSA-N -1 0 323.353 -0.410 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1ccccc1 ZINC001387006630 995211474 /nfs/dbraw/zinc/21/14/74/995211474.db2.gz LXJGAOFNPMAULM-SECBINFHSA-N -1 0 319.321 -0.376 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)N(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001387014819 995214997 /nfs/dbraw/zinc/21/49/97/995214997.db2.gz ODQXIKPGFGXSHQ-BDAKNGLRSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@H]1CC[C@H](C(=O)N(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001387014823 995215141 /nfs/dbraw/zinc/21/51/41/995215141.db2.gz ODQXIKPGFGXSHQ-IUCAKERBSA-N -1 0 323.353 -0.093 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1CCCC1 ZINC001387012599 995215215 /nfs/dbraw/zinc/21/52/15/995215215.db2.gz BAMLQEOTEJDUKT-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001387024969 995217874 /nfs/dbraw/zinc/21/78/74/995217874.db2.gz KAURYIKJGHKBJR-CBAPKCEASA-N -1 0 314.317 -0.532 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)CCC1CC1 ZINC001387029129 995220752 /nfs/dbraw/zinc/22/07/52/995220752.db2.gz MACBNRDBZNVYQJ-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CC1CC(C(=O)N(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001387026466 995220935 /nfs/dbraw/zinc/22/09/35/995220935.db2.gz AITFKPSYHKENAR-UHFFFAOYSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1n[nH]nc1C(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001402652697 995236611 /nfs/dbraw/zinc/23/66/11/995236611.db2.gz FXAUGZYMDFQLLW-UHFFFAOYSA-N -1 0 308.346 -0.469 20 0 DBADRM CN(CCNC(=O)Cc1ccco1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387062575 995239352 /nfs/dbraw/zinc/23/93/52/995239352.db2.gz WQAFIQMYHGVAEU-UHFFFAOYSA-N -1 0 323.309 -0.900 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCCCN1CCF ZINC001402739240 995266505 /nfs/dbraw/zinc/26/65/05/995266505.db2.gz UIKXEACLZNPAHB-SECBINFHSA-N -1 0 301.322 -0.371 20 0 DBADRM CC(C)[C@H](C)C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387170902 995281398 /nfs/dbraw/zinc/28/13/98/995281398.db2.gz XRSVWSMJDLYWPW-IUCAKERBSA-N -1 0 313.358 -0.398 20 0 DBADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001556694649 1015932970 /nfs/dbraw/zinc/93/29/70/1015932970.db2.gz QKQNLROSFVJYNE-OLQVQODUSA-N -1 0 302.246 -0.727 20 0 DBADRM CCN(CCNC(=O)[C@H](C)CC(N)=O)C(=O)c1ncccc1O ZINC001387267347 995308343 /nfs/dbraw/zinc/30/83/43/995308343.db2.gz MJRCGXIJEMFRLH-SNVBAGLBSA-N -1 0 322.365 -0.123 20 0 DBADRM CC(=O)N1CCC[C@@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001387366110 995334739 /nfs/dbraw/zinc/33/47/39/995334739.db2.gz PAZBZAODRKQFBP-SECBINFHSA-N -1 0 309.326 -0.658 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1C[C@@H]1C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387403308 995342859 /nfs/dbraw/zinc/34/28/59/995342859.db2.gz ZTJMZNPJZWOZBT-DTWKUNHWSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@H](CCNC(=O)C1(C)CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387486372 995364023 /nfs/dbraw/zinc/36/40/23/995364023.db2.gz BVNHBHHMOAKDON-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM CC(=O)N(C)CCN1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001387591727 995386025 /nfs/dbraw/zinc/38/60/25/995386025.db2.gz NAUQPBCQUQIKHT-UHFFFAOYSA-N -1 0 309.370 -0.340 20 0 DBADRM C[C@H](CNC(=O)c1ncccc1O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403121260 995414202 /nfs/dbraw/zinc/41/42/02/995414202.db2.gz QUKSWQOZVPUOPG-MRVPVSSYSA-N -1 0 306.326 -0.139 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2ccnnc2)c1[O-] ZINC001387680919 995419933 /nfs/dbraw/zinc/41/99/33/995419933.db2.gz GMMABZNRLHEMHA-UHFFFAOYSA-N -1 0 304.310 -0.284 20 0 DBADRM C[C@H](CNC(=O)CCc1ccn(C)n1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403133629 995420288 /nfs/dbraw/zinc/42/02/88/995420288.db2.gz NYHDZARMGCKPKZ-SNVBAGLBSA-N -1 0 321.385 -0.187 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2cnn(C)c2)c1[O-] ZINC001387681190 995420916 /nfs/dbraw/zinc/42/09/16/995420916.db2.gz JKGFUQIVWWDRFW-UHFFFAOYSA-N -1 0 306.326 -0.341 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001403209908 995452994 /nfs/dbraw/zinc/45/29/94/995452994.db2.gz FPWALJJIKZVVFM-IAZYJMLFSA-N -1 0 321.381 -0.391 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)CCNC(=O)c1c[n-]n2c1nccc2=O ZINC001387750458 995466671 /nfs/dbraw/zinc/46/66/71/995466671.db2.gz XGGVFIBOMHHROO-UWVGGRQHSA-N -1 0 317.349 -0.133 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001403294447 995477706 /nfs/dbraw/zinc/47/77/06/995477706.db2.gz DKYOGAYCTWFOMC-RKDXNWHRSA-N -1 0 324.385 -0.639 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001557206868 1015947526 /nfs/dbraw/zinc/94/75/26/1015947526.db2.gz UBLPHZKJYMYHEH-DTORHVGOSA-N -1 0 320.305 -0.728 20 0 DBADRM Cc1cn2nc(C(=O)N(C)Cc3nc(=O)o[n-]3)cc2c(=O)[nH]1 ZINC001557205355 1015948180 /nfs/dbraw/zinc/94/81/80/1015948180.db2.gz ALVHRYUZUNWFEQ-UHFFFAOYSA-N -1 0 304.266 -0.720 20 0 DBADRM COC[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001403474400 995537994 /nfs/dbraw/zinc/53/79/94/995537994.db2.gz GPSSYQKPFIHCPS-XWLWVQCSSA-N -1 0 309.370 -0.413 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)[C@H](O)C(C)C)C2)c1[O-] ZINC001387917904 995538292 /nfs/dbraw/zinc/53/82/92/995538292.db2.gz RSAVFAZVXBWYJY-LLVKDONJSA-N -1 0 310.354 -0.371 20 0 DBADRM CN(C(=O)c1cc[nH]n1)[C@@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001403494796 995541492 /nfs/dbraw/zinc/54/14/92/995541492.db2.gz OLKBEXHVBOWSKC-JTQLQIEISA-N -1 0 305.342 -0.126 20 0 DBADRM CCOCC(=O)N(C)C[C@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001596861103 1017172578 /nfs/dbraw/zinc/17/25/78/1017172578.db2.gz KMNGSOJESZWYIM-SNVBAGLBSA-N -1 0 312.326 -0.558 20 0 DBADRM C[C@H](O)[C@@H](O)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC001557729552 1015959022 /nfs/dbraw/zinc/95/90/22/1015959022.db2.gz GZMWYEFFOVAOEL-CPCISQLKSA-N -1 0 323.374 -0.306 20 0 DBADRM CN(CCNC(=O)c1cc(C2CC2)n(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001403588783 995586937 /nfs/dbraw/zinc/58/69/37/995586937.db2.gz VVZJYBGFULZVAN-UHFFFAOYSA-N -1 0 319.369 -0.017 20 0 DBADRM Cc1nccnc1CN(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001403620914 995601027 /nfs/dbraw/zinc/60/10/27/995601027.db2.gz VSGAYWDORXCRHX-UHFFFAOYSA-N -1 0 319.325 -0.757 20 0 DBADRM CCN(CCNC(=O)C(C)C)C(=O)c1cnc([O-])n(C)c1=O ZINC001388185895 995628507 /nfs/dbraw/zinc/62/85/07/995628507.db2.gz HRIDPXCLNAIIQD-UHFFFAOYSA-N -1 0 310.354 -0.280 20 0 DBADRM CCN(CCNC(=O)[C@H](C)C1CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001388224090 995638686 /nfs/dbraw/zinc/63/86/86/995638686.db2.gz IBQPZFGZCFSSDT-MRVPVSSYSA-N -1 0 323.353 -0.093 20 0 DBADRM CCC(=O)N[C@@](C)(CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001388241264 995641512 /nfs/dbraw/zinc/64/15/12/995641512.db2.gz DICHRCVUAZDOKN-ZDUSSCGKSA-N -1 0 309.326 -0.293 20 0 DBADRM Cn1nnc(C(=O)N[C@H](Cc2ccccc2)c2n[nH]c(=O)[n-]2)n1 ZINC001557910780 1015964429 /nfs/dbraw/zinc/96/44/29/1015964429.db2.gz HXRZOUDZFUHEMK-SECBINFHSA-N -1 0 314.309 -0.252 20 0 DBADRM C[C@@H](C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC001403728226 995676343 /nfs/dbraw/zinc/67/63/43/995676343.db2.gz OLKCMBILUYJAGD-ZYHUDNBSSA-N -1 0 319.365 -0.119 20 0 DBADRM Cc1cncc(CN(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001403757111 995693019 /nfs/dbraw/zinc/69/30/19/995693019.db2.gz XCENJSPMZOLDJN-UHFFFAOYSA-N -1 0 320.353 -0.359 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)[C@H]1CC12CC2 ZINC001388470396 995698110 /nfs/dbraw/zinc/69/81/10/995698110.db2.gz IXFTWKRDAGEUBA-JGVFFNPUSA-N -1 0 321.337 -0.435 20 0 DBADRM CC(=O)N(CCNC(=O)c1c[n-]n2c1nccc2=O)C1CC1 ZINC001388629140 995718533 /nfs/dbraw/zinc/71/85/33/995718533.db2.gz SSTHFHRTSBOAMU-UHFFFAOYSA-N -1 0 303.322 -0.237 20 0 DBADRM CCN1CC[C@@H]1CN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001388645899 995721457 /nfs/dbraw/zinc/72/14/57/995721457.db2.gz AKSLZQMQGJQHRC-SNVBAGLBSA-N -1 0 304.354 -0.376 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])Cc1cnn(C)n1 ZINC001403842660 995726393 /nfs/dbraw/zinc/72/63/93/995726393.db2.gz KYPCVUHKNXEJHV-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM CC(=O)NC[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccccc1 ZINC001388710955 995738653 /nfs/dbraw/zinc/73/86/53/995738653.db2.gz DDFLVTZPOLLHFR-JTQLQIEISA-N -1 0 317.305 -0.110 20 0 DBADRM CCN(CCNC(=O)C[C@@H]1CCCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001403867983 995743409 /nfs/dbraw/zinc/74/34/09/995743409.db2.gz FPFLBCRYJRJJQJ-JTQLQIEISA-N -1 0 324.385 -0.493 20 0 DBADRM CCN(CCNC(=O)Cn1cncc1C)Cc1n[nH]c(=O)[n-]1 ZINC001403881714 995754118 /nfs/dbraw/zinc/75/41/18/995754118.db2.gz LUEYYJXVKQJXOG-UHFFFAOYSA-N -1 0 307.358 -0.346 20 0 DBADRM Cc1nocc1C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001403901823 995764461 /nfs/dbraw/zinc/76/44/61/995764461.db2.gz DZEPFJTUYUSRDQ-SECBINFHSA-N -1 0 324.341 -0.628 20 0 DBADRM CC(C)[C@H](CNC(=O)C1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001388848866 995769333 /nfs/dbraw/zinc/76/93/33/995769333.db2.gz RODLFCQITBEDBU-NSHDSACASA-N -1 0 322.365 -0.234 20 0 DBADRM CC(C)[C@@H](CNC(=O)C1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001388848864 995770490 /nfs/dbraw/zinc/77/04/90/995770490.db2.gz RODLFCQITBEDBU-LLVKDONJSA-N -1 0 322.365 -0.234 20 0 DBADRM CC(=O)N[C@@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)C(C)C ZINC001388913771 995778795 /nfs/dbraw/zinc/77/87/95/995778795.db2.gz GQQVHDOFQGWPDT-JTQLQIEISA-N -1 0 313.358 -0.254 20 0 DBADRM CC(=O)N[C@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)C(C)C ZINC001388913773 995779968 /nfs/dbraw/zinc/77/99/68/995779968.db2.gz GQQVHDOFQGWPDT-SNVBAGLBSA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1nonc1CC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001404029837 995805761 /nfs/dbraw/zinc/80/57/61/995805761.db2.gz YEHWKPALKCVOIC-SECBINFHSA-N -1 0 321.341 -0.475 20 0 DBADRM O=C(CC1(O)CCC1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404077704 995814017 /nfs/dbraw/zinc/81/40/17/995814017.db2.gz XOTULINRJPEPLL-SNVBAGLBSA-N -1 0 309.370 -0.247 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@]1(F)CCOC1 ZINC001404077023 995814207 /nfs/dbraw/zinc/81/42/07/995814207.db2.gz WOHZPZBMDLQTKS-RNCFNFMXSA-N -1 0 313.333 -0.423 20 0 DBADRM CC1(C(=O)NCC2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001404109899 995820788 /nfs/dbraw/zinc/82/07/88/995820788.db2.gz KSCRVKQLQUENDY-UHFFFAOYSA-N -1 0 321.337 -0.293 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)CC(F)(F)F)c1[O-] ZINC001389076609 995830815 /nfs/dbraw/zinc/83/08/15/995830815.db2.gz RUVCHXFMGBJPEP-LURJTMIESA-N -1 0 324.259 -0.417 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(Cc2cnnn2C)C2CC2)c1[O-] ZINC001404218840 995837269 /nfs/dbraw/zinc/83/72/69/995837269.db2.gz IWCDKBJSEHCGDY-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)c1cnc[nH]c1=O ZINC001404244394 995840713 /nfs/dbraw/zinc/84/07/13/995840713.db2.gz PBSOPGRMRUCVHH-UHFFFAOYSA-N -1 0 319.325 -0.600 20 0 DBADRM C[C@H](CNC(=O)C1CCC1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001404267620 995843066 /nfs/dbraw/zinc/84/30/66/995843066.db2.gz DVMKDZVZJPQTFM-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1cnc([C@@H](C)NCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001404337110 995858938 /nfs/dbraw/zinc/85/89/38/995858938.db2.gz GINWWGLFGRXYJO-SECBINFHSA-N -1 0 324.341 -0.205 20 0 DBADRM COCC(=O)N(C)[C@H](C)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001404345308 995860717 /nfs/dbraw/zinc/86/07/17/995860717.db2.gz DQSDHEFZTFFGHD-SECBINFHSA-N -1 0 321.337 -0.754 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2ccncn2)c1[O-] ZINC001389164520 995880312 /nfs/dbraw/zinc/88/03/12/995880312.db2.gz DFFFTDZPMCDZAY-SSDOTTSWSA-N -1 0 304.310 -0.238 20 0 DBADRM C[C@H](CNC(=O)[C@@H](C)C1CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001389238040 995905919 /nfs/dbraw/zinc/90/59/19/995905919.db2.gz AUGBODWFGKEZHY-SFYZADRCSA-N -1 0 323.353 -0.047 20 0 DBADRM CS[C@H](C)C(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001389312934 995931851 /nfs/dbraw/zinc/93/18/51/995931851.db2.gz LPVUQKOVAIYHPE-NKWVEPMBSA-N -1 0 317.371 -0.938 20 0 DBADRM CC(C)C[C@@H](C)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389324710 995937657 /nfs/dbraw/zinc/93/76/57/995937657.db2.gz KIDLNNGHEBJZDH-MRVPVSSYSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)CCn3ccnc3)C2)c1[O-] ZINC001389330210 995939208 /nfs/dbraw/zinc/93/92/08/995939208.db2.gz VTPFQKVTTJDOHG-UHFFFAOYSA-N -1 0 318.337 -0.349 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001389515545 996019373 /nfs/dbraw/zinc/01/93/73/996019373.db2.gz WOLWVXKKZKVBLD-XLPZGREQSA-N -1 0 309.326 -0.437 20 0 DBADRM CC(C)[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001389520110 996021013 /nfs/dbraw/zinc/02/10/13/996021013.db2.gz ORNXKDSGAMGYLC-YUMQZZPRSA-N -1 0 311.342 -0.191 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001389522339 996023246 /nfs/dbraw/zinc/02/32/46/996023246.db2.gz OGVJEDKVEKYKCZ-QMMMGPOBSA-N -1 0 323.353 -0.863 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001389920364 996138820 /nfs/dbraw/zinc/13/88/20/996138820.db2.gz HBNRTCDAGSBWLK-HTQZYQBOSA-N -1 0 321.337 -0.293 20 0 DBADRM CC[C@@H](CNC(=O)C(C)(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001390174339 996197444 /nfs/dbraw/zinc/19/74/44/996197444.db2.gz ZAJVJZLFJAMIEC-YFKPBYRVSA-N -1 0 319.268 -0.437 20 0 DBADRM COc1cc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)ccn1 ZINC001390779841 996370007 /nfs/dbraw/zinc/37/00/07/996370007.db2.gz MVFWLOLDFQTGLU-UHFFFAOYSA-N -1 0 306.326 -0.224 20 0 DBADRM CCC(=O)N[C@](C)(CNC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001390782669 996371625 /nfs/dbraw/zinc/37/16/25/996371625.db2.gz CVQKBPJGYQYTSP-OAHLLOKOSA-N -1 0 322.365 -0.089 20 0 DBADRM CN(CCNC(=O)c1cn(C)ccc1=O)Cc1n[nH]c(=O)[n-]1 ZINC001390787009 996373689 /nfs/dbraw/zinc/37/36/89/996373689.db2.gz YJJNBYHFVKFUJJ-UHFFFAOYSA-N -1 0 306.326 -0.929 20 0 DBADRM CC[C@@H](C(N)=O)N(C)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001390838266 996388805 /nfs/dbraw/zinc/38/88/05/996388805.db2.gz NURJHPAEUFFPHT-VIFPVBQESA-N -1 0 321.337 -0.146 20 0 DBADRM C[C@H](Oc1ccccn1)C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001390845483 996390476 /nfs/dbraw/zinc/39/04/76/996390476.db2.gz GTAVJHGKRVYWHH-JTQLQIEISA-N -1 0 320.353 -0.079 20 0 DBADRM Cc1ncoc1CN(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001390849982 996395043 /nfs/dbraw/zinc/39/50/43/996395043.db2.gz KRUAIMKKLSUJCU-UHFFFAOYSA-N -1 0 310.314 -0.766 20 0 DBADRM CCN(CCNC(=O)c1cn(C)nc1C)Cc1n[nH]c(=O)[n-]1 ZINC001390888965 996403169 /nfs/dbraw/zinc/40/31/69/996403169.db2.gz OHDXIZRRFPDGSS-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM CC(=O)N1CCC[C@@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001391017473 996422172 /nfs/dbraw/zinc/42/21/72/996422172.db2.gz WOFPTHDSCHDMNE-SNVBAGLBSA-N -1 0 318.337 -0.802 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@H](O)[C@@H](F)C2)C1 ZINC001593761613 996423137 /nfs/dbraw/zinc/42/31/37/996423137.db2.gz BVFIAYQVVCLGFI-BHDSKKPTSA-N -1 0 316.329 -0.369 20 0 DBADRM O=C(CCn1ccnn1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391087847 996444865 /nfs/dbraw/zinc/44/48/65/996444865.db2.gz SSBFUCIAOOHDLE-SNVBAGLBSA-N -1 0 320.357 -0.870 20 0 DBADRM O=C(Cc1ncc[nH]1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391106331 996454588 /nfs/dbraw/zinc/45/45/88/996454588.db2.gz BUFHWZOUBXQGJS-VIFPVBQESA-N -1 0 305.342 -0.586 20 0 DBADRM Cc1cc(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)[nH]n1 ZINC001391149525 996468664 /nfs/dbraw/zinc/46/86/64/996468664.db2.gz WNUCCZBOXNWUBU-UHFFFAOYSA-N -1 0 305.342 -0.064 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)[C@@H]1CC12CC2 ZINC001391314556 996512776 /nfs/dbraw/zinc/51/27/76/996512776.db2.gz FIBNZOMNWNPOBM-IUCAKERBSA-N -1 0 323.353 -0.642 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(c2nnnn2CC(=O)N2CCCCC2)C1 ZINC001593800402 996520272 /nfs/dbraw/zinc/52/02/72/996520272.db2.gz FAIXBTLZQNBXKH-CQSZACIVSA-N -1 0 322.369 -0.013 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(c2nnnn2CC(=O)N2CCCCC2)C1 ZINC001593800401 996520350 /nfs/dbraw/zinc/52/03/50/996520350.db2.gz FAIXBTLZQNBXKH-AWEZNQCLSA-N -1 0 322.369 -0.013 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391623089 996595880 /nfs/dbraw/zinc/59/58/80/996595880.db2.gz QLENNRTWKSRLJF-MNOVXSKESA-N -1 0 324.385 -0.542 20 0 DBADRM CC1(C)CC(C(=O)NC[C@@H](CO)Nc2ccnc(C(=O)[O-])n2)C1 ZINC001593848426 996619660 /nfs/dbraw/zinc/61/96/60/996619660.db2.gz QLTPMJHROUFSPU-JTQLQIEISA-N -1 0 322.365 -0.078 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ncc(C)o1 ZINC001391746250 996622798 /nfs/dbraw/zinc/62/27/98/996622798.db2.gz XCHVCEBJAZNYOM-SECBINFHSA-N -1 0 324.341 -0.330 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)[C@H]2CCOC2)c1[O-] ZINC001391767698 996628268 /nfs/dbraw/zinc/62/82/68/996628268.db2.gz ILZVGNQCICGCLQ-JTQLQIEISA-N -1 0 310.354 -0.009 20 0 DBADRM CCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001391907921 996653994 /nfs/dbraw/zinc/65/39/94/996653994.db2.gz KWHYENJDJWLGPQ-RKDXNWHRSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)CCC2CC2)c1[O-] ZINC001392044122 996702951 /nfs/dbraw/zinc/70/29/51/996702951.db2.gz VJBOFHPPIQCZTN-JTQLQIEISA-N -1 0 310.354 -0.179 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)[C@H]1CC(=O)N(CC)C1 ZINC001596884969 1017176224 /nfs/dbraw/zinc/17/62/24/1017176224.db2.gz VLNRLQGGCNDTCA-UWVGGRQHSA-N -1 0 322.383 -0.642 20 0 DBADRM CCNC(=O)CCC(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001392260747 996766292 /nfs/dbraw/zinc/76/62/92/996766292.db2.gz UYCNSNXYYQYEPQ-UHFFFAOYSA-N -1 0 312.374 -0.683 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)Cc2cn(C)nn2)c1[O-] ZINC001392270755 996771753 /nfs/dbraw/zinc/77/17/53/996771753.db2.gz MDLGXETZUIEWIE-UHFFFAOYSA-N -1 0 307.358 -0.244 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)Cn1cc(C(=O)OC)cn1 ZINC001596872055 1017176401 /nfs/dbraw/zinc/17/64/01/1017176401.db2.gz AUFWIRBKCGQXRW-SNVBAGLBSA-N -1 0 313.310 -0.382 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001596884964 1017176412 /nfs/dbraw/zinc/17/64/12/1017176412.db2.gz VLNRLQGGCNDTCA-NXEZZACHSA-N -1 0 322.383 -0.642 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1(C(=O)OC)CCC1 ZINC001596884863 1017176440 /nfs/dbraw/zinc/17/64/40/1017176440.db2.gz SUWJRNUVHFDPBJ-VIFPVBQESA-N -1 0 323.367 -0.167 20 0 DBADRM CN(CCN(C)C(=O)CCc1cncn1C)Cc1n[nH]c(=O)[n-]1 ZINC001392321037 996792205 /nfs/dbraw/zinc/79/22/05/996792205.db2.gz IBBIMGDQLNZOJZ-UHFFFAOYSA-N -1 0 321.385 -0.233 20 0 DBADRM CN(CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ccn(C)n1 ZINC001392321048 996793224 /nfs/dbraw/zinc/79/32/24/996793224.db2.gz FKIQFRKCPPNOHX-UHFFFAOYSA-N -1 0 323.357 -0.987 20 0 DBADRM Cc1nc[nH]c1CC(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001392322890 996796829 /nfs/dbraw/zinc/79/68/29/996796829.db2.gz WGLGDQRLAFQSCE-UHFFFAOYSA-N -1 0 307.358 -0.325 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001599075652 996857427 /nfs/dbraw/zinc/85/74/27/996857427.db2.gz MMVGRQPWYZYJMH-IINYFYTJSA-N -1 0 324.337 -0.370 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001599075750 996858378 /nfs/dbraw/zinc/85/83/78/996858378.db2.gz SANBQLJMRKJZAZ-OAHLLOKOSA-N -1 0 322.317 -0.134 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001599075743 996859381 /nfs/dbraw/zinc/85/93/81/996859381.db2.gz RWQGVFQHFBHXNJ-CYBMUJFWSA-N -1 0 306.278 -0.021 20 0 DBADRM CC1(C)CN(C(=O)Cn2cc(C(=O)[O-])nn2)[C@@H]2COC[C@H]2O1 ZINC001593929090 996885317 /nfs/dbraw/zinc/88/53/17/996885317.db2.gz JBXKSKGNRVNECJ-NXEZZACHSA-N -1 0 310.310 -0.619 20 0 DBADRM O=C(CC[C@H]1CCOC1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404866397 996889232 /nfs/dbraw/zinc/88/92/32/996889232.db2.gz QQQDFWRCSHGVJQ-JTQLQIEISA-N -1 0 309.370 -0.125 20 0 DBADRM CC1(C)CN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C[C@@H](CO)O1 ZINC001593929276 996890704 /nfs/dbraw/zinc/89/07/04/996890704.db2.gz RCZSGHJNWQOQTP-JTQLQIEISA-N -1 0 324.333 -0.455 20 0 DBADRM CC1(C)CN(CCc2cn(CC(=O)[O-])nn2)[C@@H]2COC[C@H]2O1 ZINC001593939377 996926583 /nfs/dbraw/zinc/92/65/83/996926583.db2.gz GHQFFBUZIKOUGH-VXGBXAGGSA-N -1 0 310.354 -0.217 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccnc2c1nnn2C ZINC001596879556 1017176793 /nfs/dbraw/zinc/17/67/93/1017176793.db2.gz MUOVCFLCTBCDAF-VIFPVBQESA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1nncc1C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001392634614 997104472 /nfs/dbraw/zinc/10/44/72/997104472.db2.gz ANVBQHGSYACREQ-QMMMGPOBSA-N -1 0 308.346 -0.628 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CN(C)C(=O)C1CC1 ZINC001392654307 997114763 /nfs/dbraw/zinc/11/47/63/997114763.db2.gz ARHZFTWFELVSQL-VIFPVBQESA-N -1 0 324.385 -0.685 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001593968682 997122019 /nfs/dbraw/zinc/12/20/19/997122019.db2.gz IEYTZZDLVMIRTQ-UHFFFAOYSA-N -1 0 314.294 -0.460 20 0 DBADRM Cc1c(CC(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001392662517 997122840 /nfs/dbraw/zinc/12/28/40/997122840.db2.gz YGZWXRBCSSCVBH-VIFPVBQESA-N -1 0 321.385 -0.269 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NCc2cc(C(=O)[O-])co2)C1=O ZINC001593968948 997124507 /nfs/dbraw/zinc/12/45/07/997124507.db2.gz PJGFLIPTIZFAAA-UHFFFAOYSA-N -1 0 309.278 -0.076 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1=O ZINC001593969014 997126394 /nfs/dbraw/zinc/12/63/94/997126394.db2.gz SCNTTYDQSLKCLW-BQBZGAKWSA-N -1 0 301.274 -0.660 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)c1ccc[nH]1 ZINC001392668151 997127625 /nfs/dbraw/zinc/12/76/25/997127625.db2.gz KPDDVWCIFBWJMA-QMMMGPOBSA-N -1 0 319.321 -0.638 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])O1 ZINC001593972666 997144584 /nfs/dbraw/zinc/14/45/84/997144584.db2.gz BXBGSFBRLMJPEA-UWVGGRQHSA-N -1 0 314.338 -0.280 20 0 DBADRM CCOCCN1CC(CCO)(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001596929217 1017177942 /nfs/dbraw/zinc/17/79/42/1017177942.db2.gz SUWMIFKKKJUFQT-GHMZBOCLSA-N -1 0 300.355 -0.703 20 0 DBADRM C[C@@H](CN(C)Cc1ncccn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001392714674 997161191 /nfs/dbraw/zinc/16/11/91/997161191.db2.gz VUDXJSRZKIPUQF-VIFPVBQESA-N -1 0 321.341 -0.884 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1cncn1C ZINC001392715816 997162158 /nfs/dbraw/zinc/16/21/58/997162158.db2.gz IUOHPLHRWSMEFK-SNVBAGLBSA-N -1 0 321.385 -0.187 20 0 DBADRM CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001405286666 997162213 /nfs/dbraw/zinc/16/22/13/997162213.db2.gz KIIOUDAMDJXAGE-IUCAKERBSA-N -1 0 314.342 -0.944 20 0 DBADRM CCCN(C(=O)CC(N)=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001493950085 1016098204 /nfs/dbraw/zinc/09/82/04/1016098204.db2.gz UDWMDSAKGZJMEA-SECBINFHSA-N -1 0 310.358 -0.801 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1CC(=O)N=[S@@](C)(=O)N(C)C ZINC001599193870 997178860 /nfs/dbraw/zinc/17/88/60/997178860.db2.gz YPJDQQDEAQMZEI-XUSGNXJCSA-N -1 0 321.399 -0.347 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2cnn(C)n2)c1[O-] ZINC001392748318 997180744 /nfs/dbraw/zinc/18/07/44/997180744.db2.gz CXUKRGROZRURJO-LURJTMIESA-N -1 0 307.314 -0.899 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cnc(C)n1C ZINC001599194582 997191042 /nfs/dbraw/zinc/19/10/42/997191042.db2.gz JMVLWNGFWBROQR-GFCCVEGCSA-N -1 0 317.367 -0.017 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)c2cn(C)nn2)c1[O-] ZINC001392785398 997207952 /nfs/dbraw/zinc/20/79/52/997207952.db2.gz HNJYWEBOYLQOCJ-LURJTMIESA-N -1 0 307.314 -0.899 20 0 DBADRM Cc1ccnn1CC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001392856551 997269382 /nfs/dbraw/zinc/26/93/82/997269382.db2.gz VFPHBJYNBZZNBY-JTQLQIEISA-N -1 0 305.342 -0.594 20 0 DBADRM O=C(CCc1cn[nH]c1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001392857851 997272583 /nfs/dbraw/zinc/27/25/83/997272583.db2.gz CTVBLXJNWRAHCP-SNVBAGLBSA-N -1 0 305.342 -0.443 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001392879577 997295412 /nfs/dbraw/zinc/29/54/12/997295412.db2.gz CONQORQBDNJXJY-GXSJLCMTSA-N -1 0 319.369 -0.262 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)c1cc2n(n1)CCO2 ZINC001392914197 997319554 /nfs/dbraw/zinc/31/95/54/997319554.db2.gz WEPJOGMRVRHBOT-UHFFFAOYSA-N -1 0 319.325 -0.849 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(NCc2ccon2)CC1 ZINC001392948752 997340764 /nfs/dbraw/zinc/34/07/64/997340764.db2.gz NYTSTXKYUJGIDE-UHFFFAOYSA-N -1 0 308.298 -0.884 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)Cc2cncn2C)c1[O-] ZINC001392958915 997341870 /nfs/dbraw/zinc/34/18/70/997341870.db2.gz ZZIDUICTXNKNEC-QMMMGPOBSA-N -1 0 320.353 -0.366 20 0 DBADRM Cn1cc(CCC(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC001392962956 997342707 /nfs/dbraw/zinc/34/27/07/997342707.db2.gz HFMNJDUHYPMFAB-UHFFFAOYSA-N -1 0 319.369 -0.385 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CC1(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001392980647 997344543 /nfs/dbraw/zinc/34/45/43/997344543.db2.gz SDJDUBVKLWFUPV-JGVFFNPUSA-N -1 0 311.342 -0.644 20 0 DBADRM CC(=O)N[C@H](C)C[C@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001405883146 997458234 /nfs/dbraw/zinc/45/82/34/997458234.db2.gz BZVGMOJJKFTMII-SFYZADRCSA-N -1 0 311.342 -0.365 20 0 DBADRM COCC(=O)NC[C@H]1CCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001393227857 997462302 /nfs/dbraw/zinc/46/23/02/997462302.db2.gz KRRLBUIWZSRKHK-MRVPVSSYSA-N -1 0 320.305 -0.095 20 0 DBADRM CS[C@@H](C)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393234187 997469447 /nfs/dbraw/zinc/46/94/47/997469447.db2.gz KBKIQVJKBMNBLF-UFBFGSQYSA-N -1 0 315.399 -0.685 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)C(C)C ZINC001406008776 997485902 /nfs/dbraw/zinc/48/59/02/997485902.db2.gz QBWHCBCOZJRQNQ-QWRGUYRKSA-N -1 0 313.402 -0.236 20 0 DBADRM CC[C@@H](C)CC(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393250038 997494882 /nfs/dbraw/zinc/49/48/82/997494882.db2.gz WMCFTTGUGRVRDU-QMTHXVAHSA-N -1 0 311.386 -0.001 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C/C=C\Cl)C2)c1[O-] ZINC001393312203 997569831 /nfs/dbraw/zinc/56/98/31/997569831.db2.gz MEJYAVLXLJYWMI-IHWYPQMZSA-N -1 0 300.746 -0.047 20 0 DBADRM CC(C)N1CC(O)(CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001393336397 997596992 /nfs/dbraw/zinc/59/69/92/997596992.db2.gz DRSUFPOCVLNOCK-UHFFFAOYSA-N -1 0 305.338 -0.793 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001596887188 1017179090 /nfs/dbraw/zinc/17/90/90/1017179090.db2.gz ZQPYBPBJMOIVNP-KXUCPTDWSA-N -1 0 303.311 -0.345 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001393406841 997638103 /nfs/dbraw/zinc/63/81/03/997638103.db2.gz AWTIUGBOVROXHU-RKDXNWHRSA-N -1 0 323.353 -0.548 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1COCCO1)Cc1n[nH]c(=O)[n-]1 ZINC001393606248 997762342 /nfs/dbraw/zinc/76/23/42/997762342.db2.gz JZIRBKOLEIEQKF-JTQLQIEISA-N -1 0 313.358 -0.794 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)[C@]34C[C@H]3COC4)CC2)c1[O-] ZINC001393672464 997799240 /nfs/dbraw/zinc/79/92/40/997799240.db2.gz BTHPELAFXKXGTF-VFZGTOFNSA-N -1 0 320.349 -0.161 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3csnn3)CC2)c1[O-] ZINC001393748595 997830149 /nfs/dbraw/zinc/83/01/49/997830149.db2.gz ADAMYKKQYUEDQD-UHFFFAOYSA-N -1 0 322.350 -0.032 20 0 DBADRM Cc1c(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001394038162 997934780 /nfs/dbraw/zinc/93/47/80/997934780.db2.gz QGKMRVZGIANYMD-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM Cc1ccnc(C(=O)NCC2(NCc3nc(=O)n(C)[nH]3)CC2)n1 ZINC001406918242 997935163 /nfs/dbraw/zinc/93/51/63/997935163.db2.gz GULGNBRTAZKRAO-UHFFFAOYSA-N -1 0 317.353 -0.741 20 0 DBADRM COCCN(CCOC)C1CN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C1 ZINC001599236844 997962454 /nfs/dbraw/zinc/96/24/54/997962454.db2.gz CLOZUGLOTMQHDV-OLZOCXBDSA-N -1 0 314.382 -0.097 20 0 DBADRM COCCN(CCOC)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599237276 997968704 /nfs/dbraw/zinc/96/87/04/997968704.db2.gz SJVXPLFTAAMAHB-NWDGAFQWSA-N -1 0 300.355 -0.487 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1cncn1C ZINC001394089578 997972253 /nfs/dbraw/zinc/97/22/53/997972253.db2.gz LEBNPOGEZLXQRK-QMMMGPOBSA-N -1 0 321.341 -0.733 20 0 DBADRM CN(C(=O)CCc1ccn(C)n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407046202 997987782 /nfs/dbraw/zinc/98/77/82/997987782.db2.gz CWGLXJKUNALNMI-UHFFFAOYSA-N -1 0 319.369 -0.481 20 0 DBADRM COCCN(CCNC(=O)C(F)F)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599238592 997992648 /nfs/dbraw/zinc/99/26/48/997992648.db2.gz OQKCLERUPAOTHF-JGVFFNPUSA-N -1 0 308.281 -0.437 20 0 DBADRM COCCN(CCNC(=O)C(F)F)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001599238590 997992948 /nfs/dbraw/zinc/99/29/48/997992948.db2.gz OQKCLERUPAOTHF-HTQZYQBOSA-N -1 0 308.281 -0.437 20 0 DBADRM COCCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1ccc[nH]1 ZINC001599238935 998000370 /nfs/dbraw/zinc/00/03/70/998000370.db2.gz SJJYAFOXMWCEMR-QWRGUYRKSA-N -1 0 323.349 -0.060 20 0 DBADRM C[C@@H](C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC001394153737 998013825 /nfs/dbraw/zinc/01/38/25/998013825.db2.gz OHQSEHLOYYFLKL-SNVBAGLBSA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(Cc1ccoc1)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001394154841 998017176 /nfs/dbraw/zinc/01/71/76/998017176.db2.gz UAKAYDCPRDCSFP-UHFFFAOYSA-N -1 0 321.337 -0.601 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001407112934 998021398 /nfs/dbraw/zinc/02/13/98/998021398.db2.gz XCADKXMSQAZBQK-SECBINFHSA-N -1 0 324.385 -0.494 20 0 DBADRM C[C@]1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(C(=O)CC2CC2)C1 ZINC001394305282 998086326 /nfs/dbraw/zinc/08/63/26/998086326.db2.gz DQONOENPGFQZNE-AWEZNQCLSA-N -1 0 323.353 -0.403 20 0 DBADRM CC(F)(F)CC(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407365834 998135092 /nfs/dbraw/zinc/13/50/92/998135092.db2.gz PZBCOBCGVWVEMD-LBPRGKRZSA-N -1 0 319.312 -0.391 20 0 DBADRM CCOCCn1cc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cn1 ZINC001596945372 1017181335 /nfs/dbraw/zinc/18/13/35/1017181335.db2.gz ZJNGIVNLXSCLCF-PWSUYJOCSA-N -1 0 311.338 -0.173 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc(F)cc1 ZINC001407385900 998157187 /nfs/dbraw/zinc/15/71/87/998157187.db2.gz WHHCNHAREPVVBB-UHFFFAOYSA-N -1 0 321.312 -0.374 20 0 DBADRM Cc1conc1CN[C@@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001394496761 998165966 /nfs/dbraw/zinc/16/59/66/998165966.db2.gz AWSLWXDXDILSJB-QMMMGPOBSA-N -1 0 322.325 -0.170 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(CC[C@H]3CCOC3)C2)c1[O-] ZINC001407405879 998176753 /nfs/dbraw/zinc/17/67/53/998176753.db2.gz HNPPULAJVXGAHE-NSHDSACASA-N -1 0 324.381 -0.373 20 0 DBADRM CC1(C)CC(CC(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001407423765 998189212 /nfs/dbraw/zinc/18/92/12/998189212.db2.gz WKJZGPAUEOAFSD-UHFFFAOYSA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(NCC1(O)CN(CC2CC2)C1)c1c[n-]n2c1nccc2=O ZINC001407441541 998201628 /nfs/dbraw/zinc/20/16/28/998201628.db2.gz VISXGUNNZKUQDD-UHFFFAOYSA-N -1 0 317.349 -0.791 20 0 DBADRM CC[C@H](C)C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001407486592 998231840 /nfs/dbraw/zinc/23/18/40/998231840.db2.gz PVALAAWVVFXRLS-IUCAKERBSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1ncccc1CC(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001394634784 998323887 /nfs/dbraw/zinc/32/38/87/998323887.db2.gz KVPRJRHSOAAYQZ-NSHDSACASA-N -1 0 320.353 -0.977 20 0 DBADRM CC(C)OCC(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001407741145 998343392 /nfs/dbraw/zinc/34/33/92/998343392.db2.gz NNRYYXDDXRDPJC-SNVBAGLBSA-N -1 0 313.358 -0.748 20 0 DBADRM O=C(CCC1CC1)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001407771445 998361295 /nfs/dbraw/zinc/36/12/95/998361295.db2.gz AKHXPPDHXXJRCP-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1CC2CCC1CC2 ZINC001394657284 998362370 /nfs/dbraw/zinc/36/23/70/998362370.db2.gz NCBARGFOOFODKQ-KIDURHIOSA-N -1 0 323.397 -0.097 20 0 DBADRM Cc1cccc(F)c1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001394660299 998364008 /nfs/dbraw/zinc/36/40/08/998364008.db2.gz UWACFPDMSYYYIF-SECBINFHSA-N -1 0 323.328 -0.162 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001407815904 998383770 /nfs/dbraw/zinc/38/37/70/998383770.db2.gz XVDKXZTVWLTURA-IWSPIJDZSA-N -1 0 311.342 -0.501 20 0 DBADRM CCC(=O)NC[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001407927321 998427585 /nfs/dbraw/zinc/42/75/85/998427585.db2.gz OTFVNJDQLWVHRT-JTQLQIEISA-N -1 0 322.365 -0.136 20 0 DBADRM O=C([C@H]1CC12CC2)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001408036779 998464392 /nfs/dbraw/zinc/46/43/92/998464392.db2.gz QKSMMRNTKMBAIN-MEBBXXQBSA-N -1 0 321.381 -0.247 20 0 DBADRM CC(=O)NC1CCC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001408052532 998470644 /nfs/dbraw/zinc/47/06/44/998470644.db2.gz RYICOHHCOJBCHU-UHFFFAOYSA-N -1 0 323.353 -0.221 20 0 DBADRM CCC(=O)NCC(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001408102640 998494705 /nfs/dbraw/zinc/49/47/05/998494705.db2.gz IDPMGEGICVSCMZ-ZETCQYMHSA-N -1 0 311.342 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)C[C@H]2CCNC2=O)c1[O-] ZINC001408130199 998512911 /nfs/dbraw/zinc/51/29/11/998512911.db2.gz ZYOTUQUGSFXBRB-IONNQARKSA-N -1 0 323.353 -0.816 20 0 DBADRM CCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001394925789 998542934 /nfs/dbraw/zinc/54/29/34/998542934.db2.gz KJKHGIVWCJLXQR-RKDXNWHRSA-N -1 0 310.354 -0.091 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1CC12CCC2 ZINC001408259425 998575759 /nfs/dbraw/zinc/57/57/59/998575759.db2.gz MBWSMDICWUZQGA-BDAKNGLRSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CCC1(C)C ZINC001408262888 998578190 /nfs/dbraw/zinc/57/81/90/998578190.db2.gz RPABUAPLECLBLB-YUMQZZPRSA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNC(=O)c2cnnn2C)c1[O-] ZINC001395076085 998597796 /nfs/dbraw/zinc/59/77/96/998597796.db2.gz LFWINCPZAWFXTC-ZETCQYMHSA-N -1 0 321.341 -0.557 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNC(=O)Cn2ccnc2)c1[O-] ZINC001395109089 998608822 /nfs/dbraw/zinc/60/88/22/998608822.db2.gz LCMDEULBVAILIE-VIFPVBQESA-N -1 0 320.353 -0.103 20 0 DBADRM CCCC(=O)N1CC[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001408364407 998614430 /nfs/dbraw/zinc/61/44/30/998614430.db2.gz NGTCBOQMAMRVQG-VIFPVBQESA-N -1 0 311.342 -0.546 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)c1ccoc1 ZINC001395135920 998616675 /nfs/dbraw/zinc/61/66/75/998616675.db2.gz TXMLTYWQIHFXSA-QMMMGPOBSA-N -1 0 323.309 -0.441 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C1CC(C)C1 ZINC001395146716 998617760 /nfs/dbraw/zinc/61/77/60/998617760.db2.gz WNXVNNAEEHFQNB-QJAFJHJLSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(=O)N(C)[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001395480872 998671580 /nfs/dbraw/zinc/67/15/80/998671580.db2.gz WSIDYOCRWNYZGI-LLVKDONJSA-N -1 0 308.338 -0.527 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001395633316 998697560 /nfs/dbraw/zinc/69/75/60/998697560.db2.gz ZYAFWLZEXXATEX-YUMQZZPRSA-N -1 0 311.342 -0.094 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001395718590 998738272 /nfs/dbraw/zinc/73/82/72/998738272.db2.gz DDJSSPLTDNFIBM-JGVFFNPUSA-N -1 0 302.306 -0.621 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@@H](C)C2CC2)c1[O-] ZINC001395732343 998747970 /nfs/dbraw/zinc/74/79/70/998747970.db2.gz YHCDBWCKNKWDCK-OIBJUYFYSA-N -1 0 310.354 -0.323 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC001395787477 998776086 /nfs/dbraw/zinc/77/60/86/998776086.db2.gz QOJVWMXHTZPUHI-VPOLOUISSA-N -1 0 322.365 -0.323 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1C[C@H](C)N(C(=O)c2cnc[nH]c2=O)C1 ZINC001395866781 998796999 /nfs/dbraw/zinc/79/69/99/998796999.db2.gz HPJJJWCWPJJKJJ-WPRPVWTQSA-N -1 0 321.337 -0.963 20 0 DBADRM Cc1cc(C)nc(N(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001396160480 998834569 /nfs/dbraw/zinc/83/45/69/998834569.db2.gz UQDYLDMSIZGJTN-UHFFFAOYSA-N -1 0 321.341 -0.651 20 0 DBADRM CC(C)C(=O)N(C)C[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001396459922 998866361 /nfs/dbraw/zinc/86/63/61/998866361.db2.gz HKZFEFTUQCUBEB-MRVPVSSYSA-N -1 0 309.326 -0.388 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)COCC1CC1 ZINC001396987835 998936418 /nfs/dbraw/zinc/93/64/18/998936418.db2.gz DNNZHMYLQJUIHJ-NSHDSACASA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@H](O)C(C)C)C2)c1[O-] ZINC001397187046 998986243 /nfs/dbraw/zinc/98/62/43/998986243.db2.gz LDDRDRORKWYPTO-FXPVBKGRSA-N -1 0 310.354 -0.182 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)Cc2cnn(C)c2)c1[O-] ZINC001397387969 999029226 /nfs/dbraw/zinc/02/92/26/999029226.db2.gz BNMLABVVPLBPNX-MRVPVSSYSA-N -1 0 320.353 -0.366 20 0 DBADRM Cc1ccn(CC(=O)N[C@H](C)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001397422680 999041815 /nfs/dbraw/zinc/04/18/15/999041815.db2.gz SWIWAVXOMAEDKO-SECBINFHSA-N -1 0 320.353 -0.137 20 0 DBADRM C[C@@H](CNC(=O)C1(C2CC2)CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397468903 999057652 /nfs/dbraw/zinc/05/76/52/999057652.db2.gz VZSAHJXACWASQM-QMMMGPOBSA-N -1 0 323.353 -0.500 20 0 DBADRM CC[C@@H](C)CC(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397521449 999071269 /nfs/dbraw/zinc/07/12/69/999071269.db2.gz NCRKQOTYINWFME-SFYZADRCSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@@H](CNC(=O)C1(C)CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397529097 999072656 /nfs/dbraw/zinc/07/26/56/999072656.db2.gz YYLCOEAEINMLAC-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001397691437 999112852 /nfs/dbraw/zinc/11/28/52/999112852.db2.gz OREJJNMZTHTKAQ-KXUCPTDWSA-N -1 0 323.353 -0.690 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H](C)NC(C)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001397741971 999119254 /nfs/dbraw/zinc/11/92/54/999119254.db2.gz ZUXKXUPRHTZZKK-DVVUODLYSA-N -1 0 324.385 -0.496 20 0 DBADRM C[C@@H](CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC001494475911 1016287512 /nfs/dbraw/zinc/28/75/12/1016287512.db2.gz DOZFNVHXISNZNC-VIFPVBQESA-N -1 0 305.342 -0.342 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001398222369 999224104 /nfs/dbraw/zinc/22/41/04/999224104.db2.gz AHJQJXPSLYPYJL-VHSXEESVSA-N -1 0 313.358 -0.748 20 0 DBADRM O=C(CCn1cccn1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001398294135 999242007 /nfs/dbraw/zinc/24/20/07/999242007.db2.gz UGTALMRQSAZGEZ-JTQLQIEISA-N -1 0 305.342 -0.512 20 0 DBADRM O=C(CCc1cn[nH]c1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001398345581 999254492 /nfs/dbraw/zinc/25/44/92/999254492.db2.gz XQLGFDYPDJPTFA-SNVBAGLBSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)Cc2c[nH]cn2)c1[O-] ZINC001399337541 999414092 /nfs/dbraw/zinc/41/40/92/999414092.db2.gz FSAOOVLLVPGPDD-MRVPVSSYSA-N -1 0 320.353 -0.128 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001399341020 999414751 /nfs/dbraw/zinc/41/47/51/999414751.db2.gz HHCJGBADSUJLGY-DTWKUNHWSA-N -1 0 313.358 -0.396 20 0 DBADRM CCc1nocc1CN(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001399505180 999439018 /nfs/dbraw/zinc/43/90/18/999439018.db2.gz SRGFSOGJNSMBDT-UHFFFAOYSA-N -1 0 322.325 -0.305 20 0 DBADRM CC(C)C(=O)N[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)C ZINC001399601705 999451573 /nfs/dbraw/zinc/45/15/73/999451573.db2.gz GRCOWPHGVXCWQP-QMMMGPOBSA-N -1 0 311.342 -0.191 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1CCCC1 ZINC001399856112 999505923 /nfs/dbraw/zinc/50/59/23/999505923.db2.gz QCOJAJUCCJYWGU-SECBINFHSA-N -1 0 322.365 -0.089 20 0 DBADRM Cc1cncn1CC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001399856043 999505949 /nfs/dbraw/zinc/50/59/49/999505949.db2.gz FYEVCAZDGXKIIO-LLVKDONJSA-N -1 0 319.369 -0.204 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)Cc2cnn(C)c2)c1[O-] ZINC001399920370 999523910 /nfs/dbraw/zinc/52/39/10/999523910.db2.gz XSOFSEMQMXSYOI-MRVPVSSYSA-N -1 0 320.353 -0.366 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2cccnn2)c1[O-] ZINC001399941636 999530797 /nfs/dbraw/zinc/53/07/97/999530797.db2.gz PJQUWVZRDHNLOI-SSDOTTSWSA-N -1 0 304.310 -0.238 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)c1cnsn1 ZINC001399986956 999539238 /nfs/dbraw/zinc/53/92/38/999539238.db2.gz CUGQAZGFVNZKOW-UHFFFAOYSA-N -1 0 309.355 -0.244 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001400065135 999556996 /nfs/dbraw/zinc/55/69/96/999556996.db2.gz WEBKTBHVYCAVNB-PHDIDXHHSA-N -1 0 301.278 -0.735 20 0 DBADRM NC(=O)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001400108613 999564594 /nfs/dbraw/zinc/56/45/94/999564594.db2.gz DULNVCUFHVGETI-AOOOYVTPSA-N -1 0 322.369 -0.659 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1=CCCC1 ZINC001400166319 999574338 /nfs/dbraw/zinc/57/43/38/999574338.db2.gz YAMYNDFOOYEJJM-QMMMGPOBSA-N -1 0 309.326 -0.580 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)NC(=O)c1cn[nH]n1 ZINC001400259275 999595150 /nfs/dbraw/zinc/59/51/50/999595150.db2.gz ZRUXNZPCZHMXQR-GXSJLCMTSA-N -1 0 324.385 -0.410 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001597223862 1017190538 /nfs/dbraw/zinc/19/05/38/1017190538.db2.gz BEQRQIOXZFIRLQ-QMMMGPOBSA-N -1 0 315.351 -0.276 20 0 DBADRM CCS(=O)(=O)C1CN([C@@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001597208442 1017188837 /nfs/dbraw/zinc/18/88/37/1017188837.db2.gz STUMVRNTIVXXBT-SNVBAGLBSA-N -1 0 304.368 -0.819 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC001597208535 1017189049 /nfs/dbraw/zinc/18/90/49/1017189049.db2.gz XMIZKCYZXCRZRG-SNVBAGLBSA-N -1 0 307.368 -0.193 20 0 DBADRM CCS(=O)(=O)CCCNC(=O)c1cnc(C(=O)[O-])cn1 ZINC001597210076 1017189171 /nfs/dbraw/zinc/18/91/71/1017189171.db2.gz VOCDWANQINBALV-UHFFFAOYSA-N -1 0 301.324 -0.271 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)N[C@@H](CCF)C(=O)[O-])CC1 ZINC001597215636 1017189438 /nfs/dbraw/zinc/18/94/38/1017189438.db2.gz BBLHMXQOOPFPFO-JTQLQIEISA-N -1 0 324.374 -0.023 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)NCCSCCC(=O)[O-] ZINC001597224028 1017191588 /nfs/dbraw/zinc/19/15/88/1017191588.db2.gz HYDILFFKTYPGGS-QMMMGPOBSA-N -1 0 312.413 -0.362 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001597225994 1017192923 /nfs/dbraw/zinc/19/29/23/1017192923.db2.gz ZYPFSAOJIKUZEA-CABZTGNLSA-N -1 0 304.368 -0.361 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001597249015 1017193094 /nfs/dbraw/zinc/19/30/94/1017193094.db2.gz FMQGZAIPGZFDAE-ZSEKCTLFSA-N -1 0 318.395 -0.416 20 0 DBADRM CCS(=O)(=O)Cc1noc(Cn2cc(C(=O)[O-])cn2)n1 ZINC001597216044 1017191777 /nfs/dbraw/zinc/19/17/77/1017191777.db2.gz QIGJWYJDUNMWPS-UHFFFAOYSA-N -1 0 300.296 -0.053 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001597225881 1017194257 /nfs/dbraw/zinc/19/42/57/1017194257.db2.gz XRGZOCDIXJKQHN-MRVPVSSYSA-N -1 0 310.397 -0.798 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001597225820 1017194265 /nfs/dbraw/zinc/19/42/65/1017194265.db2.gz WIRXXOXCCIBFGC-SKDRFNHKSA-N -1 0 304.368 -0.219 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)c1csc(C(=O)[O-])n1 ZINC001597225340 1017193864 /nfs/dbraw/zinc/19/38/64/1017193864.db2.gz QFZBPYOSVDKPJN-UHFFFAOYSA-N -1 0 321.380 -0.100 20 0 DBADRM CCS(=O)(=O)c1ccc(C(=O)NC[C@H](O)C(=O)[O-])c(N)c1 ZINC001597235872 1017193891 /nfs/dbraw/zinc/19/38/91/1017193891.db2.gz LMQWRVRHZCXGGV-JTQLQIEISA-N -1 0 316.335 -0.762 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001597224812 1017194174 /nfs/dbraw/zinc/19/41/74/1017194174.db2.gz BYJFUPQMAVDUOP-UHFFFAOYSA-N -1 0 303.340 -0.228 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001591035782 1016373926 /nfs/dbraw/zinc/37/39/26/1016373926.db2.gz IENXHMKSPHTCIM-KXUCPTDWSA-N -1 0 322.383 -0.834 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001591036006 1016377805 /nfs/dbraw/zinc/37/78/05/1016377805.db2.gz OAQPQMVGJCNEHB-LPEHRKFASA-N -1 0 322.383 -0.739 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001591035719 1016377959 /nfs/dbraw/zinc/37/79/59/1016377959.db2.gz GIMQXYFHQBLYQS-VIFPVBQESA-N -1 0 318.355 -0.369 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)C[C@H]2COC(=O)C2)c1[O-] ZINC001494682929 1016378267 /nfs/dbraw/zinc/37/82/67/1016378267.db2.gz ZEPLLPDFKVXYJQ-IONNQARKSA-N -1 0 324.337 -0.389 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)C[C@@H]2COC(=O)C2)c1[O-] ZINC001494682923 1016378277 /nfs/dbraw/zinc/37/82/77/1016378277.db2.gz ZEPLLPDFKVXYJQ-APPZFPTMSA-N -1 0 324.337 -0.389 20 0 DBADRM CN(C[C@H]1CCCCO1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591055855 1016379734 /nfs/dbraw/zinc/37/97/34/1016379734.db2.gz HXWCXJVLCFXVBZ-MRVPVSSYSA-N -1 0 321.341 -0.741 20 0 DBADRM CC(C)C1(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001591058032 1016381390 /nfs/dbraw/zinc/38/13/90/1016381390.db2.gz KXUUJAMZWSMCIG-QWRGUYRKSA-N -1 0 324.377 -0.167 20 0 DBADRM CN(CC1CCC1)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591054985 1016381466 /nfs/dbraw/zinc/38/14/66/1016381466.db2.gz XBBWOGPDWBSSOG-UHFFFAOYSA-N -1 0 305.346 -0.100 20 0 DBADRM CN(CC1=CCCOC1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001591049894 1016381510 /nfs/dbraw/zinc/38/15/10/1016381510.db2.gz AJMNPVFTIMGCML-UHFFFAOYSA-N -1 0 304.314 -0.737 20 0 DBADRM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001591067810 1016383071 /nfs/dbraw/zinc/38/30/71/1016383071.db2.gz LQDFWDLSSQCRMG-SECBINFHSA-N -1 0 306.384 -0.117 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)no1 ZINC001597477633 1017200999 /nfs/dbraw/zinc/20/09/99/1017200999.db2.gz HDODKCSBVLZQSG-JGVFFNPUSA-N -1 0 311.294 -0.531 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)CC1CC1 ZINC001591106010 1016385269 /nfs/dbraw/zinc/38/52/69/1016385269.db2.gz HXPYILGRJAZDFK-UHFFFAOYSA-N -1 0 302.342 -0.251 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)/C=C\C1CC1 ZINC001591106022 1016385423 /nfs/dbraw/zinc/38/54/23/1016385423.db2.gz JMBQFLDTXRUJKX-PLNGDYQASA-N -1 0 314.353 -0.085 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)CC(=O)[O-] ZINC001591109243 1016391486 /nfs/dbraw/zinc/39/14/86/1016391486.db2.gz ZEVGSALVXZWOSE-IUCAKERBSA-N -1 0 301.343 -0.628 20 0 DBADRM CC(C)C1CCC(NC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)CC1 ZINC001591081865 1016388322 /nfs/dbraw/zinc/38/83/22/1016388322.db2.gz MCDOORPMPOMILP-UHFFFAOYSA-N -1 0 312.366 -0.025 20 0 DBADRM CC/C(C)=C/C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001494708777 1016391030 /nfs/dbraw/zinc/39/10/30/1016391030.db2.gz MUQVDTLFBTYNCF-QRJSTWQJSA-N -1 0 311.342 -0.334 20 0 DBADRM CC(C)C[C@H](C(N)=O)C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001591124449 1016393958 /nfs/dbraw/zinc/39/39/58/1016393958.db2.gz RSLPZGQEPVZQAO-ZJUUUORDSA-N -1 0 314.338 -0.247 20 0 DBADRM COC(=O)[C@H]1C[C@@H]1C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001408535997 1000212638 /nfs/dbraw/zinc/21/26/38/1000212638.db2.gz ICALWTDDALBJLG-IUCAKERBSA-N -1 0 324.337 -0.579 20 0 DBADRM CN(CCNC(=O)[C@H]1CC1(C)C)C(=O)c1cnc([O-])n(C)c1=O ZINC001408551217 1000219831 /nfs/dbraw/zinc/21/98/31/1000219831.db2.gz JMEAUWGFQJLPRB-SNVBAGLBSA-N -1 0 322.365 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2cccnn2)c1[O-] ZINC001408549600 1000219883 /nfs/dbraw/zinc/21/98/83/1000219883.db2.gz PRKPEOYIJXQHJL-UHFFFAOYSA-N -1 0 304.310 -0.284 20 0 DBADRM CN(c1cnn(C)c1)S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001591159634 1016394761 /nfs/dbraw/zinc/39/47/61/1016394761.db2.gz SLQBGVSACPXKQX-UHFFFAOYSA-N -1 0 320.338 -0.180 20 0 DBADRM CN(CCNC(=O)c1c[n-]n2c1nccc2=O)C(=O)CCCF ZINC001408573917 1000230176 /nfs/dbraw/zinc/23/01/76/1000230176.db2.gz WVTMTJSMRSJLSD-UHFFFAOYSA-N -1 0 323.328 -0.040 20 0 DBADRM CC(C)C[C@@H](CNC(=O)c1nc(N)nc(N(C)C)n1)C(=O)[O-] ZINC001591160353 1016397431 /nfs/dbraw/zinc/39/74/31/1016397431.db2.gz URLBJYQAOFQNBI-QMMMGPOBSA-N -1 0 310.358 -0.004 20 0 DBADRM CN(Cc1ccoc1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591150269 1016398066 /nfs/dbraw/zinc/39/80/66/1016398066.db2.gz SIAGTJKCNCTNNV-UHFFFAOYSA-N -1 0 303.282 -0.517 20 0 DBADRM CN(c1cnc(-c2nn[nH]n2)cn1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001591160212 1016398374 /nfs/dbraw/zinc/39/83/74/1016398374.db2.gz QYCKYSDZGLFJTL-MRVPVSSYSA-N -1 0 324.370 -0.873 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1C(=O)c2nccnc2C1=O)C(=O)[O-] ZINC001591161286 1016399026 /nfs/dbraw/zinc/39/90/26/1016399026.db2.gz HKFQXXOWDGVSSK-MRVPVSSYSA-N -1 0 320.305 -0.312 20 0 DBADRM O=C(Cn1cncn1)NCC[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001420879686 1000278524 /nfs/dbraw/zinc/27/85/24/1000278524.db2.gz AXVPSUGESJFDOL-JTQLQIEISA-N -1 0 320.357 -0.870 20 0 DBADRM O=C(CCCn1ccnc1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001420912167 1000291293 /nfs/dbraw/zinc/29/12/93/1000291293.db2.gz KMKWDKGBFMXKTE-NSHDSACASA-N -1 0 319.369 -0.122 20 0 DBADRM CCC(=O)N1CCC[C@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001408833509 1000306478 /nfs/dbraw/zinc/30/64/78/1000306478.db2.gz LOSQOOGGWXQZEZ-VIFPVBQESA-N -1 0 323.353 -0.267 20 0 DBADRM CN(CC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1)C(=O)C1CC1 ZINC001420952486 1000308249 /nfs/dbraw/zinc/30/82/49/1000308249.db2.gz KLIVKBOPPWVRJD-UHFFFAOYSA-N -1 0 322.369 -0.883 20 0 DBADRM Cn1cncc1CC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001420994607 1000326528 /nfs/dbraw/zinc/32/65/28/1000326528.db2.gz KDGLMLBNFWGVLY-UHFFFAOYSA-N -1 0 305.342 -0.775 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)[C@@H]1COCCO1)C(=O)[O-] ZINC001591172029 1016404495 /nfs/dbraw/zinc/40/44/95/1016404495.db2.gz WQRRWAYRFQXPOL-ZJUUUORDSA-N -1 0 303.311 -0.440 20 0 DBADRM CCOCC(=O)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001421035350 1000337635 /nfs/dbraw/zinc/33/76/35/1000337635.db2.gz JDSMIJXYBSWBBX-CQSZACIVSA-N -1 0 309.370 -0.029 20 0 DBADRM COCCN1CC(N(C)C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001421067092 1000351172 /nfs/dbraw/zinc/35/11/72/1000351172.db2.gz UKKBQKZOUZHOGP-UHFFFAOYSA-N -1 0 313.358 -0.742 20 0 DBADRM CC[C@H](C)CC(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001409088061 1000358784 /nfs/dbraw/zinc/35/87/84/1000358784.db2.gz WLYGVKBEVPHXLF-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM CCCC1(C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001409104926 1000363896 /nfs/dbraw/zinc/36/38/96/1000363896.db2.gz HMFQKOQCUQASON-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421156758 1000390312 /nfs/dbraw/zinc/39/03/12/1000390312.db2.gz IWKWAOXJSXJFTQ-UHFFFAOYSA-N -1 0 324.385 -0.779 20 0 DBADRM CC[C@H](CNC(=O)[C@H](C)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001409252566 1000410585 /nfs/dbraw/zinc/41/05/85/1000410585.db2.gz PGJJXZHCZKZTQU-VXNVDRBHSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@@H](CNC(=O)C1(C)CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001409324095 1000431124 /nfs/dbraw/zinc/43/11/24/1000431124.db2.gz KASRJDZTQQKRDN-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM CCNC(=O)CCC(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421311930 1000437650 /nfs/dbraw/zinc/43/76/50/1000437650.db2.gz VXRMGJIJJUHTJG-JTQLQIEISA-N -1 0 324.385 -0.541 20 0 DBADRM CCC(=O)N[C@H](CC)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001409364162 1000438863 /nfs/dbraw/zinc/43/88/63/1000438863.db2.gz APHWSHOTYISDMB-SECBINFHSA-N -1 0 320.353 -0.508 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCN(CCF)C1 ZINC001421347676 1000456459 /nfs/dbraw/zinc/45/64/59/1000456459.db2.gz FAPIDMASVZTJDL-VIFPVBQESA-N -1 0 301.322 -0.418 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)[C@H](C)c2nnnn2C)c1[O-] ZINC001409539185 1000469939 /nfs/dbraw/zinc/46/99/39/1000469939.db2.gz GRRYRVCGWAEEST-VXNVDRBHSA-N -1 0 322.373 -0.241 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)CC(=O)NC2CC2)c1[O-] ZINC001409553440 1000471997 /nfs/dbraw/zinc/47/19/97/1000471997.db2.gz SYULQKXMNXBUFD-QMMMGPOBSA-N -1 0 309.370 -0.248 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C/C=C/Cl ZINC001409659224 1000499943 /nfs/dbraw/zinc/49/99/43/1000499943.db2.gz RAOWMUYIAKVVRN-MPJRPATESA-N -1 0 303.750 -0.122 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3nncs3)C2)c1[O-] ZINC001421431951 1000504843 /nfs/dbraw/zinc/50/48/43/1000504843.db2.gz VSMWMRMVJNGRKF-UHFFFAOYSA-N -1 0 324.366 -0.748 20 0 DBADRM CC(=O)NC1CCN(Cc2cc(=O)n3[n-]c(N)nc3n2)CC1 ZINC001421486375 1000528773 /nfs/dbraw/zinc/52/87/73/1000528773.db2.gz QBIHJUOORCPLNM-UHFFFAOYSA-N -1 0 305.342 -0.900 20 0 DBADRM CCC[C@H](CC)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421493427 1000531523 /nfs/dbraw/zinc/53/15/23/1000531523.db2.gz LQFMDENRJOJAOJ-JTQLQIEISA-N -1 0 311.386 -0.001 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001409898227 1000546982 /nfs/dbraw/zinc/54/69/82/1000546982.db2.gz DDXJJPSZZDLXML-KWQFWETISA-N -1 0 324.385 -0.639 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001409898220 1000547067 /nfs/dbraw/zinc/54/70/67/1000547067.db2.gz DDXJJPSZZDLXML-KCJUWKMLSA-N -1 0 324.385 -0.639 20 0 DBADRM C[C@@H](NC(=O)C[C@@H]1CCC(=O)N1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001409901551 1000547593 /nfs/dbraw/zinc/54/75/93/1000547593.db2.gz HMTIODRCMPHACH-SCZZXKLOSA-N -1 0 322.369 -0.885 20 0 DBADRM CO[C@@H](C)CC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001421566664 1000550593 /nfs/dbraw/zinc/55/05/93/1000550593.db2.gz ZMHXPAQZASYFMS-GARJFASQSA-N -1 0 309.370 -0.175 20 0 DBADRM CC(C)C(=O)N(C)CCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001409962683 1000563403 /nfs/dbraw/zinc/56/34/03/1000563403.db2.gz KMHVOBIHQSDSAA-UHFFFAOYSA-N -1 0 310.354 -0.328 20 0 DBADRM CC(C)C[C@H]1C(=O)NCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001591197849 1016424244 /nfs/dbraw/zinc/42/42/44/1016424244.db2.gz QYLQAQPYSOLARH-JTQLQIEISA-N -1 0 309.326 -0.651 20 0 DBADRM CC(C)C[C@@H]1C(=O)NCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001591197850 1016424404 /nfs/dbraw/zinc/42/44/04/1016424404.db2.gz QYLQAQPYSOLARH-SNVBAGLBSA-N -1 0 309.326 -0.651 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNCc2nnnn2C)c1[O-] ZINC001421889357 1000657117 /nfs/dbraw/zinc/65/71/17/1000657117.db2.gz LOQQPDJRIIOLRI-SSDOTTSWSA-N -1 0 308.346 -0.802 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@H]2CCNC(=O)C2)c1[O-] ZINC001410190535 1000670224 /nfs/dbraw/zinc/67/02/24/1000670224.db2.gz MRNVAQWKRNZEPO-APPZFPTMSA-N -1 0 323.353 -0.816 20 0 DBADRM CC(C)[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001410254051 1000697272 /nfs/dbraw/zinc/69/72/72/1000697272.db2.gz ZINUUVUSOVMMJA-SFYZADRCSA-N -1 0 311.342 -0.191 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2ccncn2)c1[O-] ZINC001410277703 1000706051 /nfs/dbraw/zinc/70/60/51/1000706051.db2.gz USLZXHLAPQVLCJ-SSDOTTSWSA-N -1 0 304.310 -0.238 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001410285619 1000708349 /nfs/dbraw/zinc/70/83/49/1000708349.db2.gz KCBDJNSFIYLFTL-IWSPIJDZSA-N -1 0 323.353 -0.047 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2cncn2C)c1[O-] ZINC001410344424 1000729949 /nfs/dbraw/zinc/72/99/49/1000729949.db2.gz ISDBKUNHXLIDSI-ZETCQYMHSA-N -1 0 306.326 -0.294 20 0 DBADRM C[C@@H](C(=O)N[C@@H](C)CNC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001410344818 1000731367 /nfs/dbraw/zinc/73/13/67/1000731367.db2.gz KWPFDFOYAHCUOK-DTWKUNHWSA-N -1 0 322.365 -0.234 20 0 DBADRM CCOc1cc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001422168552 1000751090 /nfs/dbraw/zinc/75/10/90/1000751090.db2.gz BNAJSUHHGBOXGM-UHFFFAOYSA-N -1 0 323.357 -0.164 20 0 DBADRM CCn1ccc(CN[C@@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001410604827 1000828293 /nfs/dbraw/zinc/82/82/93/1000828293.db2.gz XPILDMYZGQHLKS-LLVKDONJSA-N -1 0 322.369 -0.479 20 0 DBADRM Cc1csc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001410612175 1000830049 /nfs/dbraw/zinc/83/00/49/1000830049.db2.gz DNKPGIMQZMVFAF-MRVPVSSYSA-N -1 0 311.367 -0.239 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C1(F)CCCC1 ZINC001410675641 1000855329 /nfs/dbraw/zinc/85/53/29/1000855329.db2.gz WSKNNKSGOSIABY-MRVPVSSYSA-N -1 0 301.322 -0.641 20 0 DBADRM CC[C@@H](C)C(=O)NCC1(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001410681405 1000857599 /nfs/dbraw/zinc/85/75/99/1000857599.db2.gz XNEQODVXNJOPHY-SECBINFHSA-N -1 0 322.365 -0.089 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNCc2nnnn2C2CC2)c1[O-] ZINC001422485698 1000882773 /nfs/dbraw/zinc/88/27/73/1000882773.db2.gz VOIVZJRNUBFDBG-SSDOTTSWSA-N -1 0 320.357 -0.347 20 0 DBADRM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422521806 1000894277 /nfs/dbraw/zinc/89/42/77/1000894277.db2.gz NNDCACWZUQTGTL-SECBINFHSA-N -1 0 324.385 -0.685 20 0 DBADRM C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422525616 1000895643 /nfs/dbraw/zinc/89/56/43/1000895643.db2.gz FPWRUMDPIZMTRZ-VIFPVBQESA-N -1 0 320.353 -0.541 20 0 DBADRM CCCCC(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001410777457 1000897363 /nfs/dbraw/zinc/89/73/63/1000897363.db2.gz ZKAGBSIVLVJWID-UHFFFAOYSA-N -1 0 309.326 -0.148 20 0 DBADRM C[C@H](CNC(=O)[C@]1(F)CCOC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422555653 1000908305 /nfs/dbraw/zinc/90/83/05/1000908305.db2.gz XMDMIGWBVZZFNT-PELKAZGASA-N -1 0 301.322 -0.425 20 0 DBADRM O=C(CCCF)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001410790061 1000909500 /nfs/dbraw/zinc/90/95/00/1000909500.db2.gz CMDVRHUKJIXXSF-UHFFFAOYSA-N -1 0 315.305 -0.796 20 0 DBADRM COC(=O)COCCNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591267272 1016456829 /nfs/dbraw/zinc/45/68/29/1016456829.db2.gz AQOFDOPTPSDKOP-UHFFFAOYSA-N -1 0 321.293 -0.508 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001422817714 1001021006 /nfs/dbraw/zinc/02/10/06/1001021006.db2.gz DTQMZVLWFZPEBD-NXEZZACHSA-N -1 0 324.385 -0.637 20 0 DBADRM Cc1ncoc1CN(C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001422837709 1001028465 /nfs/dbraw/zinc/02/84/65/1001028465.db2.gz RSJVFJBXRYRSEX-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591267757 1016460379 /nfs/dbraw/zinc/46/03/79/1016460379.db2.gz FPRAALFVIHMMQA-LURJTMIESA-N -1 0 323.265 -0.706 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3C[C@@H]3C)C2)c1[O-] ZINC001411167888 1001054675 /nfs/dbraw/zinc/05/46/75/1001054675.db2.gz IIAQABFRKGPSEA-KPCOEVGBSA-N -1 0 322.365 -0.227 20 0 DBADRM C[C@@H](CN(C)[C@@H](C)C(N)=O)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001422916110 1001061430 /nfs/dbraw/zinc/06/14/30/1001061430.db2.gz VGYQTELCSSJUSK-YUMQZZPRSA-N -1 0 321.337 -0.148 20 0 DBADRM C[C@@H](NC(=O)CC1CC1)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001411337204 1001100738 /nfs/dbraw/zinc/10/07/38/1001100738.db2.gz BQQKPWBGMASDCQ-SFYZADRCSA-N -1 0 311.342 -0.501 20 0 DBADRM O=C(CCc1c[nH]cn1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001423088648 1001113275 /nfs/dbraw/zinc/11/32/75/1001113275.db2.gz GWDXTLYOQYHIBB-SNVBAGLBSA-N -1 0 305.342 -0.443 20 0 DBADRM O=C(CCc1ncccn1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001423126725 1001128566 /nfs/dbraw/zinc/12/85/66/1001128566.db2.gz AGBTULGFOGKDON-SNVBAGLBSA-N -1 0 317.353 -0.376 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c2ncnn21 ZINC001411481721 1001134727 /nfs/dbraw/zinc/13/47/27/1001134727.db2.gz SRRIWSRKXQJZBT-APPZFPTMSA-N -1 0 314.309 -0.515 20 0 DBADRM CO[C@](C)(CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001591317075 1016473859 /nfs/dbraw/zinc/47/38/59/1016473859.db2.gz CRLOYIFYQXRCCV-ISVAXAHUSA-N -1 0 320.357 -0.050 20 0 DBADRM CC(C)CN(CC(=O)[O-])S(=O)(=O)CCN1CCOC1=O ZINC001591303243 1016474199 /nfs/dbraw/zinc/47/41/99/1016474199.db2.gz MGMARMVMDUYAGQ-UHFFFAOYSA-N -1 0 308.356 -0.189 20 0 DBADRM COc1cc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)on1 ZINC001423206564 1001170767 /nfs/dbraw/zinc/17/07/67/1001170767.db2.gz UZNBOARQSSGFIM-UHFFFAOYSA-N -1 0 308.298 -0.441 20 0 DBADRM O=C(C[C@@H]1CCC(=O)NC1)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001423218988 1001181928 /nfs/dbraw/zinc/18/19/28/1001181928.db2.gz VKTFSQABDGKERP-VIFPVBQESA-N -1 0 322.369 -0.835 20 0 DBADRM CC(C)CN(CC(=O)[O-])C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC001591294619 1016469786 /nfs/dbraw/zinc/46/97/86/1016469786.db2.gz PFSRIJUFIFOKMI-NSHDSACASA-N -1 0 320.411 -0.326 20 0 DBADRM Cn1cnnc1[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001411644014 1001188438 /nfs/dbraw/zinc/18/84/38/1001188438.db2.gz SGXCKFFEELEYQI-QMMMGPOBSA-N -1 0 307.314 -0.776 20 0 DBADRM Cn1[n-]c(C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1=O ZINC001411649039 1001189673 /nfs/dbraw/zinc/18/96/73/1001189673.db2.gz XOPSIVHRKQQKIS-UHFFFAOYSA-N -1 0 317.305 -0.407 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)Cc2ncc[nH]2)c1[O-] ZINC001411654918 1001191816 /nfs/dbraw/zinc/19/18/16/1001191816.db2.gz FRHNFVSXVNHFSR-MRVPVSSYSA-N -1 0 320.353 -0.034 20 0 DBADRM Cc1noc(C2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)n1 ZINC001411669170 1001194872 /nfs/dbraw/zinc/19/48/72/1001194872.db2.gz XOJWFUWKSFHJRY-UHFFFAOYSA-N -1 0 308.298 -0.213 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CN2CCOC2=O)s1 ZINC001411700109 1001201331 /nfs/dbraw/zinc/20/13/31/1001201331.db2.gz RIGRZCJEMTWQNE-UHFFFAOYSA-N -1 0 321.340 -0.700 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001591290076 1016471230 /nfs/dbraw/zinc/47/12/30/1016471230.db2.gz SYGUHIPNPILZMN-SNVBAGLBSA-N -1 0 321.399 -0.516 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2CCOC2)c1 ZINC001591286382 1016471271 /nfs/dbraw/zinc/47/12/71/1016471271.db2.gz FGXLFJNDCGGSPO-MRVPVSSYSA-N -1 0 305.294 -0.149 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H]1Cc2ccccc21 ZINC001423260090 1001213216 /nfs/dbraw/zinc/21/32/16/1001213216.db2.gz UATDQVGAZFXGDM-JQWIXIFHSA-N -1 0 317.349 -0.583 20 0 DBADRM CO[C@](C)(CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001591317073 1016474949 /nfs/dbraw/zinc/47/49/49/1016474949.db2.gz CRLOYIFYQXRCCV-AMIZOPFISA-N -1 0 320.357 -0.050 20 0 DBADRM COC(=O)c1occc1Cn1cncc(-c2nnn[n-]2)c1=O ZINC001591308536 1016475483 /nfs/dbraw/zinc/47/54/83/1016475483.db2.gz JBXFMVQSLCEQEI-UHFFFAOYSA-N -1 0 302.250 -0.149 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)c3c[n-]ncc3=O)C2=O)cn1 ZINC001411800971 1001230262 /nfs/dbraw/zinc/23/02/62/1001230262.db2.gz AATGAAAFRGSLJG-JTQLQIEISA-N -1 0 302.294 -0.549 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H]1CN1CCOCC1 ZINC001411850012 1001236342 /nfs/dbraw/zinc/23/63/42/1001236342.db2.gz GPLCHMLXFOVEIA-SNVBAGLBSA-N -1 0 311.342 -0.988 20 0 DBADRM COC(=O)[C@@H](C)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001411896115 1001243429 /nfs/dbraw/zinc/24/34/29/1001243429.db2.gz AYIZAGYDQXDVKY-SSDOTTSWSA-N -1 0 306.278 -0.443 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCS[C@@H]2COCC[C@H]21 ZINC001411909776 1001247072 /nfs/dbraw/zinc/24/70/72/1001247072.db2.gz CTRMZTBGALXSCK-HTQZYQBOSA-N -1 0 300.340 -0.578 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001411912194 1001247798 /nfs/dbraw/zinc/24/77/98/1001247798.db2.gz UKOCRXZVVOQOAV-SKDRFNHKSA-N -1 0 318.337 -0.703 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC001411918527 1001249498 /nfs/dbraw/zinc/24/94/98/1001249498.db2.gz XHQXMZKPPOUOIU-SECBINFHSA-N -1 0 306.326 -0.134 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC001411937594 1001255407 /nfs/dbraw/zinc/25/54/07/1001255407.db2.gz OPZFJUOCRTVJKF-SECBINFHSA-N -1 0 307.314 -0.780 20 0 DBADRM O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001411938732 1001257218 /nfs/dbraw/zinc/25/72/18/1001257218.db2.gz OQVZAEKJEBMKOC-VHSXEESVSA-N -1 0 311.367 -0.146 20 0 DBADRM CC(C)CN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001591320704 1016479846 /nfs/dbraw/zinc/47/98/46/1016479846.db2.gz XGSMPDIWSSWTSS-UHFFFAOYSA-N -1 0 317.367 -0.145 20 0 DBADRM COC(=O)[C@@]1(NC(=O)CSc2n[nH]c(=O)[n-]2)CCSC1 ZINC001412006980 1001275610 /nfs/dbraw/zinc/27/56/10/1001275610.db2.gz PGKSDPPUHCVQBA-SNVBAGLBSA-N -1 0 318.380 -0.233 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C1(c2cccnc2)CC1 ZINC001412023924 1001280138 /nfs/dbraw/zinc/28/01/38/1001280138.db2.gz GAEOBYYXDBGNDH-UHFFFAOYSA-N -1 0 311.363 -0.305 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CCOC2(CCC2)C1 ZINC001412025338 1001281950 /nfs/dbraw/zinc/28/19/50/1001281950.db2.gz HYIRCAYJCSHAII-JTQLQIEISA-N -1 0 318.395 -0.082 20 0 DBADRM COC(CNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C)OC ZINC001591330386 1016483421 /nfs/dbraw/zinc/48/34/21/1016483421.db2.gz SJKPIDWVDNHHAA-UHFFFAOYSA-N -1 0 308.298 -0.376 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCc1nnnn1CC1CC1 ZINC001412045780 1001287782 /nfs/dbraw/zinc/28/77/82/1001287782.db2.gz DKTXDEZQHHMFNC-UHFFFAOYSA-N -1 0 310.343 -0.685 20 0 DBADRM CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C1CN(CCCF)C1 ZINC001423417640 1001288372 /nfs/dbraw/zinc/28/83/72/1001288372.db2.gz TXFBDSLNCMOKDQ-UHFFFAOYSA-N -1 0 315.349 -0.028 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412058752 1001290335 /nfs/dbraw/zinc/29/03/35/1001290335.db2.gz UNAIXMWMPNCVED-UHFFFAOYSA-N -1 0 305.342 -0.326 20 0 DBADRM COC(=O)C1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCSCC1 ZINC001412059763 1001292579 /nfs/dbraw/zinc/29/25/79/1001292579.db2.gz RFHXYODSYCHNEO-UHFFFAOYSA-N -1 0 316.339 -0.756 20 0 DBADRM C[C@@H](Cc1c[nH]cn1)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423424223 1001293301 /nfs/dbraw/zinc/29/33/01/1001293301.db2.gz DPOQKSPLRKWRQH-VIFPVBQESA-N -1 0 319.369 -0.245 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001412072663 1001294604 /nfs/dbraw/zinc/29/46/04/1001294604.db2.gz IKUUOLKHXUFNQO-VFZGTOFNSA-N -1 0 314.301 -0.068 20 0 DBADRM CC1(C)CCN(C(=O)CCc2nnn[n-]2)CCS1(=O)=O ZINC001412086811 1001297709 /nfs/dbraw/zinc/29/77/09/1001297709.db2.gz AVZXPDIUFAQQMQ-UHFFFAOYSA-N -1 0 301.372 -0.442 20 0 DBADRM C[S@@](=O)Cc1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001412117883 1001306043 /nfs/dbraw/zinc/30/60/43/1001306043.db2.gz LVOPFEONFHVUDY-JOCHJYFZSA-N -1 0 324.362 -0.116 20 0 DBADRM O=C(NC[C@H]1CCCS1(=O)=O)c1c[n-]n2c1nccc2=O ZINC001412132424 1001308706 /nfs/dbraw/zinc/30/87/06/1001308706.db2.gz OAWZCLJRTWZXSJ-MRVPVSSYSA-N -1 0 310.335 -0.670 20 0 DBADRM CO[C@@H]1CC[C@H]1N(C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591353881 1016486869 /nfs/dbraw/zinc/48/68/69/1016486869.db2.gz MFWFSFTWWBWZOV-RKDXNWHRSA-N -1 0 321.345 -0.723 20 0 DBADRM CO[C@H]1CC[C@@H](C)N(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001591347973 1016486390 /nfs/dbraw/zinc/48/63/90/1016486390.db2.gz NBCINMHKBVZVHE-BDAKNGLRSA-N -1 0 306.330 -0.516 20 0 DBADRM CN(C(=O)CCCc1nnn[n-]1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001412168283 1001321398 /nfs/dbraw/zinc/32/13/98/1001321398.db2.gz QPUCCQHRTCXQMU-SECBINFHSA-N -1 0 316.387 -0.985 20 0 DBADRM Cn1nc(C2CCOCC2)cc1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC001412177630 1001323699 /nfs/dbraw/zinc/32/36/99/1001323699.db2.gz BHNVXZJPNJTQAV-UHFFFAOYSA-N -1 0 308.298 -0.299 20 0 DBADRM C[C@H](c1ccccc1)[C@@H](NC(=O)CCc1nnn[n-]1)C(N)=O ZINC001412178745 1001324928 /nfs/dbraw/zinc/32/49/28/1001324928.db2.gz GMZWWAKGEFOPED-NOZJJQNGSA-N -1 0 302.338 -0.094 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCN(C(=O)CCCc2nnn[n-]2)C1 ZINC001412193706 1001329398 /nfs/dbraw/zinc/32/93/98/1001329398.db2.gz TXRPFQONQZNLRU-SNVBAGLBSA-N -1 0 315.399 -0.194 20 0 DBADRM CCNC(=O)C(C)(C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412205514 1001332279 /nfs/dbraw/zinc/33/22/79/1001332279.db2.gz GBNIQQHFDWHGKZ-UHFFFAOYSA-N -1 0 317.353 -0.281 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCO1 ZINC001412232353 1001341250 /nfs/dbraw/zinc/34/12/50/1001341250.db2.gz XCOTZRHZFYLYIP-XVKPBYJWSA-N -1 0 320.305 -0.342 20 0 DBADRM CO[C@@H]([C@@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001591326000 1016482671 /nfs/dbraw/zinc/48/26/71/1016482671.db2.gz FUPQEJWFZNINJI-XCBNKYQSSA-N -1 0 306.330 -0.612 20 0 DBADRM CO[C@@H](C)CC(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001423500926 1001346641 /nfs/dbraw/zinc/34/66/41/1001346641.db2.gz FULMTYXQJRUHSR-UWVGGRQHSA-N -1 0 315.374 -0.814 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001423512113 1001356705 /nfs/dbraw/zinc/35/67/05/1001356705.db2.gz NXWWEWKEMIQPMI-VIFPVBQESA-N -1 0 323.357 -0.893 20 0 DBADRM Cn1nnc2c1CC[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C2 ZINC001412295440 1001359969 /nfs/dbraw/zinc/35/99/69/1001359969.db2.gz FSVMVXFITXPOFZ-MRVPVSSYSA-N -1 0 321.341 -0.728 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)C1(C)CCC1 ZINC001423522716 1001360448 /nfs/dbraw/zinc/36/04/48/1001360448.db2.gz FPEYNEXHYCLTOK-JTQLQIEISA-N -1 0 311.386 -0.048 20 0 DBADRM CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001412297904 1001360513 /nfs/dbraw/zinc/36/05/13/1001360513.db2.gz OBFZLSMQMYSTDL-IONNQARKSA-N -1 0 316.289 -0.561 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412299523 1001361104 /nfs/dbraw/zinc/36/11/04/1001361104.db2.gz VUUWPGYQGKMNAF-XHNCKOQMSA-N -1 0 311.342 -0.407 20 0 DBADRM CC[C@@H]1C(=O)NCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001412303905 1001362131 /nfs/dbraw/zinc/36/21/31/1001362131.db2.gz ROOKEBVWHCGZMM-SNVBAGLBSA-N -1 0 318.337 -0.802 20 0 DBADRM CCCC(=O)N[C@@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001494953102 1016489365 /nfs/dbraw/zinc/48/93/65/1016489365.db2.gz XRZHMSVFBGHVKV-VIFPVBQESA-N -1 0 320.353 -0.508 20 0 DBADRM COCC(=O)N[C@@]1(C)CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001423540228 1001369363 /nfs/dbraw/zinc/36/93/63/1001369363.db2.gz BZYYDTUECBJREI-HNNXBMFYSA-N -1 0 319.365 -0.250 20 0 DBADRM CCOC(=O)[C@H]1CSCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412350407 1001374696 /nfs/dbraw/zinc/37/46/96/1001374696.db2.gz WEONTQHKLNNADO-SSDOTTSWSA-N -1 0 316.339 -0.804 20 0 DBADRM COCC(=O)N[C@@H](C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001591366863 1016490374 /nfs/dbraw/zinc/49/03/74/1016490374.db2.gz VTPYZDLDIMVHTC-QMMMGPOBSA-N -1 0 306.330 -0.968 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC001412368803 1001378673 /nfs/dbraw/zinc/37/86/73/1001378673.db2.gz YVUAIKWLZGFKOY-VIFPVBQESA-N -1 0 324.341 -0.904 20 0 DBADRM CCOc1ccccc1C(=O)NCC(=O)N(C)c1nnn[n-]1 ZINC001412374836 1001380943 /nfs/dbraw/zinc/38/09/43/1001380943.db2.gz JRIAAUHNLCHQJX-UHFFFAOYSA-N -1 0 304.310 -0.009 20 0 DBADRM CC(C)CN1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1=O ZINC001591366539 1016490805 /nfs/dbraw/zinc/49/08/05/1016490805.db2.gz XZKALOMRGQYDLM-UHFFFAOYSA-N -1 0 318.395 -0.019 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC001412393460 1001385798 /nfs/dbraw/zinc/38/57/98/1001385798.db2.gz KLSKGUHHSXIAQJ-UHFFFAOYSA-N -1 0 303.278 -0.176 20 0 DBADRM CCCC(=O)N(C)C[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001412405012 1001388308 /nfs/dbraw/zinc/38/83/08/1001388308.db2.gz DONZDEGJOQHHNN-VIFPVBQESA-N -1 0 310.354 -0.137 20 0 DBADRM COCC(=O)NC1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001412419289 1001395364 /nfs/dbraw/zinc/39/53/64/1001395364.db2.gz QQLHNUOYTRNNOY-UHFFFAOYSA-N -1 0 310.358 -0.724 20 0 DBADRM CNc1nc(C)cc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)n1 ZINC001412429716 1001398784 /nfs/dbraw/zinc/39/87/84/1001398784.db2.gz GYNCHIKJKZGKTA-SECBINFHSA-N -1 0 304.314 -0.446 20 0 DBADRM COC(=O)N1CCC(C(=O)N2CCOC[C@H]2c2nnn[n-]2)CC1 ZINC001412434539 1001400953 /nfs/dbraw/zinc/40/09/53/1001400953.db2.gz WGFOVMHJJBHZAU-JTQLQIEISA-N -1 0 324.341 -0.422 20 0 DBADRM O=C(NC[C@H](n1cncn1)C(F)(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001412444765 1001405536 /nfs/dbraw/zinc/40/55/36/1001405536.db2.gz CCRBQPXLWDWKLQ-BYPYZUCNSA-N -1 0 319.203 -0.592 20 0 DBADRM CC(C)CNC(=O)CNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001591371016 1016492804 /nfs/dbraw/zinc/49/28/04/1016492804.db2.gz UGQCVGFHOXYKSK-UHFFFAOYSA-N -1 0 306.384 -0.067 20 0 DBADRM CO[C@@H]1CC[C@@H]1N(C)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591354458 1016486970 /nfs/dbraw/zinc/48/69/70/1016486970.db2.gz OPVBLFNSTIEOJY-XHNCKOQMSA-N -1 0 306.330 -0.345 20 0 DBADRM CO[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC1 ZINC001591354115 1016487052 /nfs/dbraw/zinc/48/70/52/1016487052.db2.gz KDBUFXCSZWWJQZ-QMMMGPOBSA-N -1 0 321.341 -0.741 20 0 DBADRM CC(C)CN1C[C@@H](C(=O)OCC(=O)NCCC(=O)[O-])CC1=O ZINC001591352366 1016487825 /nfs/dbraw/zinc/48/78/25/1016487825.db2.gz QHTRJQMSDIGKED-JTQLQIEISA-N -1 0 314.338 -0.375 20 0 DBADRM CC1=C(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)S(=O)(=O)CCO1 ZINC001412483811 1001422243 /nfs/dbraw/zinc/42/22/43/1001422243.db2.gz AYOUANZYYBNLIY-MRVPVSSYSA-N -1 0 313.339 -0.808 20 0 DBADRM CCN(C)C(=O)[C@H]1CSCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412486269 1001423397 /nfs/dbraw/zinc/42/33/97/1001423397.db2.gz HPLASUZDLSSODS-SSDOTTSWSA-N -1 0 315.355 -0.931 20 0 DBADRM COC(=O)c1cc(C(=O)N2CCC(c3nnn[n-]3)CC2)n(C)n1 ZINC001412493589 1001425567 /nfs/dbraw/zinc/42/55/67/1001425567.db2.gz SUBUKUORPPHLQS-UHFFFAOYSA-N -1 0 319.325 -0.260 20 0 DBADRM CC(C)[C@@H]1C(=O)NCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412497404 1001426250 /nfs/dbraw/zinc/42/62/50/1001426250.db2.gz CSEHQLLUIDCGNZ-SNVBAGLBSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@@H](C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC001423766337 1001426470 /nfs/dbraw/zinc/42/64/70/1001426470.db2.gz WITZILJNUAFZMH-BMIGLBTASA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(NC[C@H]1CCC2(CCOCC2)CO1)c1n[nH]c(=O)[n-]c1=O ZINC001412515992 1001434589 /nfs/dbraw/zinc/43/45/89/1001434589.db2.gz KGJVUZKQWOXCPV-SECBINFHSA-N -1 0 324.337 -0.012 20 0 DBADRM CC(=O)N[C@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)C(C)(C)C ZINC001412527063 1001438416 /nfs/dbraw/zinc/43/84/16/1001438416.db2.gz NIMXYVLCFAHBHR-NXEZZACHSA-N -1 0 310.358 -0.350 20 0 DBADRM CCCNC(=O)C1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001412534629 1001440815 /nfs/dbraw/zinc/44/08/15/1001440815.db2.gz QNORURFRHIVLJX-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM COC(=O)c1ccn(CC(=O)NC2(c3nnn[n-]3)CCC2)n1 ZINC001412534859 1001440947 /nfs/dbraw/zinc/44/09/47/1001440947.db2.gz AEPAZKDWELWYQR-UHFFFAOYSA-N -1 0 305.298 -0.622 20 0 DBADRM COC[C@](C)(O)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412586158 1001469298 /nfs/dbraw/zinc/46/92/98/1001469298.db2.gz CARPMXDEXMSNQA-CYBMUJFWSA-N -1 0 306.326 -0.798 20 0 DBADRM COC[C@H](NC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1nnn[n-]1 ZINC001412609542 1001491325 /nfs/dbraw/zinc/49/13/25/1001491325.db2.gz PDAXKZCOHQQHQC-QMMMGPOBSA-N -1 0 305.298 -0.310 20 0 DBADRM COC[C@H](NC(=O)c1ccc(NC(C)=O)cn1)c1nnn[n-]1 ZINC001412609410 1001491515 /nfs/dbraw/zinc/49/15/15/1001491515.db2.gz OZKGXRWPYADQDP-JTQLQIEISA-N -1 0 305.298 -0.329 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC2(CCC2)C1 ZINC001423872003 1001496028 /nfs/dbraw/zinc/49/60/28/1001496028.db2.gz VWNGVZNCJILCEH-UHFFFAOYSA-N -1 0 321.381 -0.247 20 0 DBADRM COCC1(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CCC1 ZINC001591389983 1016499457 /nfs/dbraw/zinc/49/94/57/1016499457.db2.gz ZFIKCINPUHKMFY-UHFFFAOYSA-N -1 0 321.341 -0.105 20 0 DBADRM COC[C@H](NC(=O)c1cc(-c2nn[nH]n2)cs1)c1nnn[n-]1 ZINC001591379907 1016499941 /nfs/dbraw/zinc/49/99/41/1016499941.db2.gz FBCQNRACIJCNHL-LURJTMIESA-N -1 0 321.326 -0.441 20 0 DBADRM COC[C@H](Nc1nc(-c2nnn[n-]2)c(Cl)s1)C(N)=O ZINC001591382837 1016501115 /nfs/dbraw/zinc/50/11/15/1016501115.db2.gz OWXHYALPCAJVCE-VKHMYHEASA-N -1 0 303.735 -0.111 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412663940 1001524945 /nfs/dbraw/zinc/52/49/45/1001524945.db2.gz VMLCXVDOHUDWRK-ZJUUUORDSA-N -1 0 314.342 -0.220 20 0 DBADRM COC[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C1CC1 ZINC001591383058 1016502488 /nfs/dbraw/zinc/50/24/88/1016502488.db2.gz SSTSRVWOSUPYIE-SSDOTTSWSA-N -1 0 307.314 -0.497 20 0 DBADRM CN(C(=O)CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CCCCC1 ZINC001412692426 1001533554 /nfs/dbraw/zinc/53/35/54/1001533554.db2.gz MPZXRZWCKSODSA-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2cncc(-c3nn[nH]n3)n2)C1 ZINC001591385980 1016502946 /nfs/dbraw/zinc/50/29/46/1016502946.db2.gz FHICGGFJPJOFIN-GFCCVEGCSA-N -1 0 305.298 -0.416 20 0 DBADRM Cc1nnc(C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)s1 ZINC001423967263 1001535398 /nfs/dbraw/zinc/53/53/98/1001535398.db2.gz XHLBJTNUQIDPLE-KRWDZBQOSA-N -1 0 313.430 -0.245 20 0 DBADRM C[C@]1(NC(=O)c2nc[n-]c(=O)c2Br)CCNC1=O ZINC001412707501 1001536752 /nfs/dbraw/zinc/53/67/52/1001536752.db2.gz MOZBSVFZQKYYHM-JTQLQIEISA-N -1 0 315.127 -0.047 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC001424046797 1001554915 /nfs/dbraw/zinc/55/49/15/1001554915.db2.gz JBCYXZHPWHWFEP-IUCAKERBSA-N -1 0 305.381 -0.250 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC001424046804 1001555478 /nfs/dbraw/zinc/55/54/78/1001555478.db2.gz JBCYXZHPWHWFEP-RKDXNWHRSA-N -1 0 305.381 -0.250 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC001424046792 1001555490 /nfs/dbraw/zinc/55/54/90/1001555490.db2.gz JBCYXZHPWHWFEP-DTWKUNHWSA-N -1 0 305.381 -0.250 20 0 DBADRM Cn1cc([C@@]2(CNC(=O)CCc3nnn[n-]3)CCCO2)cn1 ZINC001412759723 1001563159 /nfs/dbraw/zinc/56/31/59/1001563159.db2.gz LMGSZQPGWSINAH-ZDUSSCGKSA-N -1 0 305.342 -0.312 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001412768951 1001568723 /nfs/dbraw/zinc/56/87/23/1001568723.db2.gz FMHCITCDQSINKZ-VIFPVBQESA-N -1 0 321.341 -0.038 20 0 DBADRM C[C@@H](NC(=O)c1cnn(C[C@H](O)CO)c1)c1nn(C)cc1[O-] ZINC001412771651 1001569977 /nfs/dbraw/zinc/56/99/77/1001569977.db2.gz UPLYHYBGERWGFX-SCZZXKLOSA-N -1 0 309.326 -0.834 20 0 DBADRM CN1Cc2ccccc2[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001412771562 1001570166 /nfs/dbraw/zinc/57/01/66/1001570166.db2.gz HOIAAZFQVCLRQA-NSHDSACASA-N -1 0 303.322 -0.008 20 0 DBADRM C[C@H](CNC(=O)[C@@H](C)C1CC1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001424104196 1001570622 /nfs/dbraw/zinc/57/06/22/1001570622.db2.gz SZTNQEVKJDADJA-SFYZADRCSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CC[C@@H](O)[C@@H](F)C1 ZINC001412774523 1001571299 /nfs/dbraw/zinc/57/12/99/1001571299.db2.gz ODUGDZRIDIMCAM-WDEREUQCSA-N -1 0 322.296 -0.189 20 0 DBADRM COCC1(O)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001412772615 1001571375 /nfs/dbraw/zinc/57/13/75/1001571375.db2.gz KKFYPUXGGKAQEG-UHFFFAOYSA-N -1 0 314.342 -0.531 20 0 DBADRM COC[C@H]1CCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001591394687 1016507024 /nfs/dbraw/zinc/50/70/24/1016507024.db2.gz XCYRKXUIOARBKO-VIFPVBQESA-N -1 0 321.345 -0.864 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)c2ncn(C)n2)c1[O-] ZINC001424120738 1001577278 /nfs/dbraw/zinc/57/72/78/1001577278.db2.gz FOFQEGUOHUHUSB-SSDOTTSWSA-N -1 0 321.341 -0.557 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)c2cnnn2C)c1[O-] ZINC001424131574 1001580353 /nfs/dbraw/zinc/58/03/53/1001580353.db2.gz SAWVRWCWBHCQNB-ZETCQYMHSA-N -1 0 321.341 -0.557 20 0 DBADRM CCO[C@@H](CS(=O)(=O)[N-][C@@](C)(CO)C(=O)OC)C1CC1 ZINC001424195261 1001594232 /nfs/dbraw/zinc/59/42/32/1001594232.db2.gz GBFKRTOPDWCPKA-JQWIXIFHSA-N -1 0 309.384 -0.355 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCN(c2ncc(F)cn2)CC1 ZINC001412808652 1001597013 /nfs/dbraw/zinc/59/70/13/1001597013.db2.gz RYKNYXPXNKYQAF-UHFFFAOYSA-N -1 0 320.332 -0.200 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)C(C)(F)F ZINC001424238374 1001605241 /nfs/dbraw/zinc/60/52/41/1001605241.db2.gz BTXCQWKFAMAORT-LURJTMIESA-N -1 0 321.284 -0.692 20 0 DBADRM C[C@H]1CCN(C(=O)CCCc2nnn[n-]2)CCS1(=O)=O ZINC001412825448 1001605918 /nfs/dbraw/zinc/60/59/18/1001605918.db2.gz ILHDCQABCBMWCM-VIFPVBQESA-N -1 0 301.372 -0.442 20 0 DBADRM C[C@@H]1CCN(C(=O)CCCc2nnn[n-]2)CCS1(=O)=O ZINC001412825444 1001606452 /nfs/dbraw/zinc/60/64/52/1001606452.db2.gz ILHDCQABCBMWCM-SECBINFHSA-N -1 0 301.372 -0.442 20 0 DBADRM CCn1ncc(C(=O)N(C)CCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001424282574 1001614394 /nfs/dbraw/zinc/61/43/94/1001614394.db2.gz CJCUFPIITHYOHG-UHFFFAOYSA-N -1 0 322.373 -0.284 20 0 DBADRM COCC[C@H](COC)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591398089 1016510540 /nfs/dbraw/zinc/51/05/40/1016510540.db2.gz CAEOVEWGEHWEHW-RKDXNWHRSA-N -1 0 324.345 -0.813 20 0 DBADRM CC(C)CN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](C)C1=O ZINC001412843658 1001616279 /nfs/dbraw/zinc/61/62/79/1001616279.db2.gz LLAXPFMYZSKQSW-VIFPVBQESA-N -1 0 311.342 -0.595 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)CNC(=O)c1ccc(O)cc1 ZINC001412853388 1001621529 /nfs/dbraw/zinc/62/15/29/1001621529.db2.gz BXGWLIVIZMTLSF-UHFFFAOYSA-N -1 0 306.278 -0.131 20 0 DBADRM COCCCCCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001591410787 1016511392 /nfs/dbraw/zinc/51/13/92/1016511392.db2.gz JGRRCEUAWYCQFR-UHFFFAOYSA-N -1 0 323.357 -0.507 20 0 DBADRM CSCC[C@@H](O)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412896229 1001639111 /nfs/dbraw/zinc/63/91/11/1001639111.db2.gz GPMAZSDTFQVKGE-MRVPVSSYSA-N -1 0 301.372 -0.876 20 0 DBADRM CSCC[C@H](O)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412896235 1001639849 /nfs/dbraw/zinc/63/98/49/1001639849.db2.gz GPMAZSDTFQVKGE-QMMMGPOBSA-N -1 0 301.372 -0.876 20 0 DBADRM O=C(c1cnn(C(F)F)c1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412898576 1001640611 /nfs/dbraw/zinc/64/06/11/1001640611.db2.gz KTXXXYTYTXOPMZ-UHFFFAOYSA-N -1 0 313.268 -0.085 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412899336 1001640818 /nfs/dbraw/zinc/64/08/18/1001640818.db2.gz VYUXTKSRBWZPQR-YMTOWFKASA-N -1 0 318.337 -0.655 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001412901839 1001642251 /nfs/dbraw/zinc/64/22/51/1001642251.db2.gz PODJOZUEJJKYJT-SSDOTTSWSA-N -1 0 316.339 -0.678 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CO[C@@H](C3CC3)C2)c(=O)[nH]c1=O ZINC001424449506 1001643656 /nfs/dbraw/zinc/64/36/56/1001643656.db2.gz JSQQELRXAMAFFR-RKDXNWHRSA-N -1 0 315.351 -0.668 20 0 DBADRM COCCN(CC(C)C)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591421448 1016514994 /nfs/dbraw/zinc/51/49/94/1016514994.db2.gz KCOVMBGTUCCTSA-UHFFFAOYSA-N -1 0 323.357 -0.638 20 0 DBADRM NS(=O)(=O)CCCC(=O)N1CCC(C2N=NC(=O)O2)CC1 ZINC001412930958 1001653541 /nfs/dbraw/zinc/65/35/41/1001653541.db2.gz KGGJMBCMAFXIPX-UHFFFAOYSA-N -1 0 318.355 -0.450 20 0 DBADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001591422763 1016515695 /nfs/dbraw/zinc/51/56/95/1016515695.db2.gz PBGSDOCGNYGARE-IRCOFANPSA-N -1 0 301.339 -0.643 20 0 DBADRM C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412937536 1001655832 /nfs/dbraw/zinc/65/58/32/1001655832.db2.gz DHEDROJLMKGCFT-UWVGGRQHSA-N -1 0 311.342 -0.989 20 0 DBADRM Nc1nc2nc(CN3CCN4C(=O)OCC[C@H]4C3)cc(=O)n2[n-]1 ZINC001412963450 1001667957 /nfs/dbraw/zinc/66/79/57/1001667957.db2.gz RXZFGXTWZUQVFV-VIFPVBQESA-N -1 0 319.325 -0.974 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC001413021481 1001685366 /nfs/dbraw/zinc/68/53/66/1001685366.db2.gz XBJIJHPCZCBXKL-URLYPYJESA-N -1 0 312.347 -0.650 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)[C@@H]1C ZINC001413037302 1001689301 /nfs/dbraw/zinc/68/93/01/1001689301.db2.gz OYYNSFREDBTAIA-LDYMZIIASA-N -1 0 321.337 -0.963 20 0 DBADRM C[C@H]1C[C@@H](CO)CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001413155204 1001705316 /nfs/dbraw/zinc/70/53/16/1001705316.db2.gz QYTTWLVRLAHLOD-VHSXEESVSA-N -1 0 305.338 -0.452 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(C)C ZINC001424705828 1001747316 /nfs/dbraw/zinc/74/73/16/1001747316.db2.gz LNLLRPLBCYAEKM-CVJBHZAOSA-N -1 0 315.417 -0.407 20 0 DBADRM CCc1ocnc1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597824769 1017208433 /nfs/dbraw/zinc/20/84/33/1017208433.db2.gz QOPJBTGACVJGSZ-IUCAKERBSA-N -1 0 307.306 -0.102 20 0 DBADRM CN(C)S(=O)(=O)C1(CNS(=O)(=O)c2ncc[n-]2)CC1 ZINC001424672469 1001723479 /nfs/dbraw/zinc/72/34/79/1001723479.db2.gz ZGWJWAUPUHQESB-UHFFFAOYSA-N -1 0 308.385 -0.888 20 0 DBADRM CN1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)C[C@H]1CO ZINC001424700865 1001743349 /nfs/dbraw/zinc/74/33/49/1001743349.db2.gz LFHLNQFFJORIAS-JTQLQIEISA-N -1 0 304.343 -0.172 20 0 DBADRM CN1c2ccccc2C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1=O ZINC001413265380 1001788964 /nfs/dbraw/zinc/78/89/64/1001788964.db2.gz BPFOCCLAAHHIMU-VIFPVBQESA-N -1 0 317.305 -0.607 20 0 DBADRM O=C(CCc1nnn[n-]1)NC1CCN(c2ncccn2)CC1 ZINC001413270037 1001794764 /nfs/dbraw/zinc/79/47/64/1001794764.db2.gz KYOOWZRJJYJVMH-UHFFFAOYSA-N -1 0 302.342 -0.293 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)[N-]CC(F)(F)C(=O)OC ZINC001424832367 1001805298 /nfs/dbraw/zinc/80/52/98/1001805298.db2.gz SEVXWMDIZIDWKK-UHFFFAOYSA-N -1 0 318.298 -0.876 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)C1(C(=O)OCC)CCC1 ZINC001413317933 1001812717 /nfs/dbraw/zinc/81/27/17/1001812717.db2.gz DZVLPUFKLYAJNA-SECBINFHSA-N -1 0 323.367 -0.684 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C1CN(C(=O)OC)C1 ZINC001413321017 1001813448 /nfs/dbraw/zinc/81/34/48/1001813448.db2.gz WJFGOXAVWYTUFZ-UHFFFAOYSA-N -1 0 318.307 -0.205 20 0 DBADRM NC(=O)c1cccc2c1CCN(C(=O)CCc1nnn[n-]1)C2 ZINC001413321767 1001813888 /nfs/dbraw/zinc/81/38/88/1001813888.db2.gz MYGOWNBUHKLUQR-UHFFFAOYSA-N -1 0 300.322 -0.184 20 0 DBADRM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)C[C@H](CC(C)C)OC ZINC001413367177 1001828684 /nfs/dbraw/zinc/82/86/84/1001828684.db2.gz ZZZVRQLKAGEENI-JQWIXIFHSA-N -1 0 311.400 -0.109 20 0 DBADRM O=C(c1cc2n(n1)CCC[C@@H]2O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001413384735 1001834634 /nfs/dbraw/zinc/83/46/34/1001834634.db2.gz BYETWLQWRYNAFJ-QWRGUYRKSA-N -1 0 319.325 -0.563 20 0 DBADRM CC(C)(C)n1nnc(C[N-]S(=O)(=O)N=S(C)(C)=O)n1 ZINC001413387983 1001835614 /nfs/dbraw/zinc/83/56/14/1001835614.db2.gz PBNNFSVMBJSJEW-UHFFFAOYSA-N -1 0 310.405 -0.510 20 0 DBADRM CO[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@](C)(CO)C1 ZINC001413404466 1001837911 /nfs/dbraw/zinc/83/79/11/1001837911.db2.gz HAYCGWSAEFUMLU-YMTOWFKASA-N -1 0 321.337 -0.931 20 0 DBADRM CO[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@](C)(CO)C1 ZINC001413404451 1001838817 /nfs/dbraw/zinc/83/88/17/1001838817.db2.gz HAYCGWSAEFUMLU-XPTSAGLGSA-N -1 0 321.337 -0.931 20 0 DBADRM C[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)c1nnnn1C1CC1 ZINC001413415466 1001841501 /nfs/dbraw/zinc/84/15/01/1001841501.db2.gz DEKAVKSUYIOWRV-LURJTMIESA-N -1 0 308.389 -0.369 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@@H](O)CC[C@H]2C)n[nH]1 ZINC001413420208 1001843243 /nfs/dbraw/zinc/84/32/43/1001843243.db2.gz GGAZCPLAIQVUEM-SFYZADRCSA-N -1 0 303.340 -0.270 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@@H](C)C1CC1 ZINC001433385087 1001844007 /nfs/dbraw/zinc/84/40/07/1001844007.db2.gz KWPFDFOYAHCUOK-BDAKNGLRSA-N -1 0 322.365 -0.234 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)C[C@@H](C)C(=O)OC ZINC001413435317 1001847602 /nfs/dbraw/zinc/84/76/02/1001847602.db2.gz GKUHEWNHNBOIDY-BDAKNGLRSA-N -1 0 311.356 -0.707 20 0 DBADRM Cc1ccnc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001433420089 1001850065 /nfs/dbraw/zinc/85/00/65/1001850065.db2.gz MHYIMNZNZJXCEQ-UHFFFAOYSA-N -1 0 303.326 -0.433 20 0 DBADRM O=C(NCc1nc2c(c(=O)[nH]1)COCC2)[C@@H]1CCNC(=O)CC1 ZINC001413452721 1001851783 /nfs/dbraw/zinc/85/17/83/1001851783.db2.gz CILNJUPCMNKGLN-VIFPVBQESA-N -1 0 320.349 -0.213 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591462418 1016530229 /nfs/dbraw/zinc/53/02/29/1016530229.db2.gz ILQORADPYZMCDU-SSDOTTSWSA-N -1 0 320.309 -0.290 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCCC(=O)[C@H]2C)n[nH]1 ZINC001413462377 1001853681 /nfs/dbraw/zinc/85/36/81/1001853681.db2.gz VUQMSUHFTHBWOC-SSDOTTSWSA-N -1 0 301.324 -0.062 20 0 DBADRM Cn1ccnc1C1(O)CN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001413465906 1001854974 /nfs/dbraw/zinc/85/49/74/1001854974.db2.gz AAJFLHGXYKOUQD-UHFFFAOYSA-N -1 0 310.339 -0.934 20 0 DBADRM Cn1cc(C(=O)CCC(=O)N2CC[C@@H](c3nnn[n-]3)C2)cn1 ZINC001413468891 1001856062 /nfs/dbraw/zinc/85/60/62/1001856062.db2.gz MIDRBOQTJGDSET-SECBINFHSA-N -1 0 303.326 -0.088 20 0 DBADRM O=C(c1cn(C[C@@H]2CCOC2)nn1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001413471340 1001857946 /nfs/dbraw/zinc/85/79/46/1001857946.db2.gz QZCQTQNHBRHOSU-UWVGGRQHSA-N -1 0 318.341 -0.543 20 0 DBADRM COC(=O)c1cnn(CC(=O)N(Cc2nnn[n-]2)CC(C)C)c1 ZINC001413501283 1001863933 /nfs/dbraw/zinc/86/39/33/1001863933.db2.gz DKLQROAFPJATMX-UHFFFAOYSA-N -1 0 321.341 -0.132 20 0 DBADRM CNC(=O)CCCC(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001425227580 1001869364 /nfs/dbraw/zinc/86/93/64/1001869364.db2.gz JZLDBMDTGIUXHJ-VIFPVBQESA-N -1 0 324.385 -0.637 20 0 DBADRM C[C@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001425226415 1001870241 /nfs/dbraw/zinc/87/02/41/1001870241.db2.gz IMFJUSDOLAMLNX-VFZGTOFNSA-N -1 0 323.397 -0.002 20 0 DBADRM C[C@@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001425226406 1001870294 /nfs/dbraw/zinc/87/02/94/1001870294.db2.gz IMFJUSDOLAMLNX-PSLIRLAXSA-N -1 0 323.397 -0.002 20 0 DBADRM COCc1nc(C)cc(NCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001591459560 1016532286 /nfs/dbraw/zinc/53/22/86/1016532286.db2.gz DNQTUDHUDLRPHL-UHFFFAOYSA-N -1 0 316.329 -0.185 20 0 DBADRM CCNC(=O)CN1CC([C@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001425228560 1001871111 /nfs/dbraw/zinc/87/11/11/1001871111.db2.gz LBFCIHOJVACSQB-QMMMGPOBSA-N -1 0 309.370 -0.390 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N2CC(CO)(CO)C2)c1 ZINC001413534506 1001872776 /nfs/dbraw/zinc/87/27/76/1001872776.db2.gz HEQKXJICHIGNKP-NRFANRHFSA-N -1 0 313.375 -0.384 20 0 DBADRM Cn1ccnc1CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001413536872 1001874387 /nfs/dbraw/zinc/87/43/87/1001874387.db2.gz QAJJMSDLQSVEPT-UHFFFAOYSA-N -1 0 301.310 -0.836 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)C(C)(C)C(N)=O)C(=O)[O-] ZINC001591453270 1016532996 /nfs/dbraw/zinc/53/29/96/1016532996.db2.gz GFYXYJNNCCLRPL-QMMMGPOBSA-N -1 0 301.343 -0.770 20 0 DBADRM COC[C@H](NC(=O)C1CCN(C(=O)C(C)C)CC1)c1nnn[n-]1 ZINC001413554677 1001877521 /nfs/dbraw/zinc/87/75/21/1001877521.db2.gz OOFHHHHLMCHNEL-NSHDSACASA-N -1 0 324.385 -0.102 20 0 DBADRM COC[C@@H](NC(=O)C[C@H]1CCCS(=O)(=O)C1)c1nnn[n-]1 ZINC001413550323 1001877747 /nfs/dbraw/zinc/87/77/47/1001877747.db2.gz DPPYKXBAWHKABU-RKDXNWHRSA-N -1 0 317.371 -0.782 20 0 DBADRM COC[C@@H](NC(=O)C[C@@H]1CCCS(=O)(=O)C1)c1nnn[n-]1 ZINC001413550319 1001878132 /nfs/dbraw/zinc/87/81/32/1001878132.db2.gz DPPYKXBAWHKABU-DTWKUNHWSA-N -1 0 317.371 -0.782 20 0 DBADRM COC[C@H](NC(=O)C[C@@H]1CCCS(=O)(=O)C1)c1nnn[n-]1 ZINC001413550322 1001878455 /nfs/dbraw/zinc/87/84/55/1001878455.db2.gz DPPYKXBAWHKABU-IUCAKERBSA-N -1 0 317.371 -0.782 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 ZINC001413564011 1001880370 /nfs/dbraw/zinc/88/03/70/1001880370.db2.gz BZPVRPPFOXLLHL-QJPTWQEYSA-N -1 0 321.385 -0.117 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1)S(C)(=O)=O ZINC001413567591 1001882195 /nfs/dbraw/zinc/88/21/95/1001882195.db2.gz ZCMKCYUHCGXTEX-RKDXNWHRSA-N -1 0 301.372 -0.586 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@](C)(CO)c1ccc(O)cc1 ZINC001413568878 1001882292 /nfs/dbraw/zinc/88/22/92/1001882292.db2.gz SMRHBQDRFKHMTQ-ZDUSSCGKSA-N -1 0 306.326 -0.150 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1(c2ncccn2)CCOCC1 ZINC001413621810 1001893370 /nfs/dbraw/zinc/89/33/70/1001893370.db2.gz MUPIJAWSNJXVLT-UHFFFAOYSA-N -1 0 320.309 -0.699 20 0 DBADRM CNC(=O)C1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001433594477 1001893759 /nfs/dbraw/zinc/89/37/59/1001893759.db2.gz CHTZMCRTPDZATG-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)CCCF ZINC001433597703 1001894749 /nfs/dbraw/zinc/89/47/49/1001894749.db2.gz CPADYXZFOHTGFF-QMMMGPOBSA-N -1 0 314.317 -0.530 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H](c1ncon1)C1CC1 ZINC001413632815 1001895270 /nfs/dbraw/zinc/89/52/70/1001895270.db2.gz UYOBZBSQKXEAAC-SNVBAGLBSA-N -1 0 315.293 -0.278 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)c1c[n-]ncc1=O ZINC001433605984 1001896875 /nfs/dbraw/zinc/89/68/75/1001896875.db2.gz QOPRYWGCHBZSLD-UHFFFAOYSA-N -1 0 302.356 -0.370 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)Nn1nnc2c1CCCC2 ZINC001413658652 1001899488 /nfs/dbraw/zinc/89/94/88/1001899488.db2.gz UDSSSJLWRDGWLP-UHFFFAOYSA-N -1 0 307.314 -0.290 20 0 DBADRM C[C@H](C[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1CC1 ZINC001413654211 1001899686 /nfs/dbraw/zinc/89/96/86/1001899686.db2.gz XBHIGYLYCVOFNG-BDAKNGLRSA-N -1 0 322.365 -0.091 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(C)(C)c1ccc(-c2nn[nH]n2)cc1 ZINC001591467073 1016537126 /nfs/dbraw/zinc/53/71/26/1016537126.db2.gz ILDBPOPDMGEZBH-UHFFFAOYSA-N -1 0 318.337 -0.062 20 0 DBADRM NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cnncc2O)CC1 ZINC001433633426 1001917451 /nfs/dbraw/zinc/91/74/51/1001917451.db2.gz CQQBWHJHNIWLBF-LBPRGKRZSA-N -1 0 319.365 -0.264 20 0 DBADRM O=C(NCCN1C(=O)Cc2ccccc21)c1n[nH]c(=O)[n-]c1=O ZINC001433639191 1001919419 /nfs/dbraw/zinc/91/94/19/1001919419.db2.gz ZOIMSAGBQBMIPC-UHFFFAOYSA-N -1 0 315.289 -0.398 20 0 DBADRM COc1c(-c2nnn[n-]2)ccc(=O)n1CC(=O)N(C)C1CC1 ZINC001591473598 1016539994 /nfs/dbraw/zinc/53/99/94/1016539994.db2.gz KDBKVZWXUAAVJY-UHFFFAOYSA-N -1 0 304.310 -0.342 20 0 DBADRM Cc1cc(COCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)no1 ZINC001433662435 1001926959 /nfs/dbraw/zinc/92/69/59/1001926959.db2.gz DPKCFVGHERWFAE-SNVBAGLBSA-N -1 0 308.298 -0.387 20 0 DBADRM CC(C)N1C[C@H](n2nnnc2N2CC[C@@H](C(=O)[O-])C2)CC1=O ZINC001591610431 1016552542 /nfs/dbraw/zinc/55/25/42/1016552542.db2.gz DIFHBEWCWSOXNS-NXEZZACHSA-N -1 0 308.342 -0.234 20 0 DBADRM C[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)[C@@H](C)S(C)(=O)=O ZINC001433666148 1001933222 /nfs/dbraw/zinc/93/32/22/1001933222.db2.gz UENDZJXVHWQOSN-YIZRAAEISA-N -1 0 317.371 -0.831 20 0 DBADRM NC(=O)NC[C@H]1CCCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001433662939 1001935268 /nfs/dbraw/zinc/93/52/68/1001935268.db2.gz UQIGMEGSZQIXPB-SSDOTTSWSA-N -1 0 314.371 -0.348 20 0 DBADRM O=C(CCCc1nnn[n-]1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001433667723 1001937967 /nfs/dbraw/zinc/93/79/67/1001937967.db2.gz BNAHFTAZKXDJMD-JTQLQIEISA-N -1 0 313.383 -0.300 20 0 DBADRM CC(C)Cn1ncnc1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001591538212 1016549294 /nfs/dbraw/zinc/54/92/94/1016549294.db2.gz DIKAHXTYDLWWMO-JTQLQIEISA-N -1 0 316.383 -0.382 20 0 DBADRM CC(C)N(C)CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001591550157 1016549571 /nfs/dbraw/zinc/54/95/71/1016549571.db2.gz BWDKEEGXXNXINO-JTQLQIEISA-N -1 0 306.384 -0.573 20 0 DBADRM CC(C)N(C[C@H](O)CO)C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001591573461 1016550403 /nfs/dbraw/zinc/55/04/03/1016550403.db2.gz GFNDYNYZWIXZOF-JTQLQIEISA-N -1 0 324.333 -0.087 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC(NC2COC2)C1 ZINC001413728169 1001964613 /nfs/dbraw/zinc/96/46/13/1001964613.db2.gz HVPFNRFOJHZEAT-JTQLQIEISA-N -1 0 323.315 -0.111 20 0 DBADRM CC(=O)NCc1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001433691727 1001971291 /nfs/dbraw/zinc/97/12/91/1001971291.db2.gz PSPALKBLQCXYPP-UHFFFAOYSA-N -1 0 305.294 -0.036 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001433696873 1001975393 /nfs/dbraw/zinc/97/53/93/1001975393.db2.gz VOKYJBRHYQWEQG-MRVPVSSYSA-N -1 0 320.371 -0.591 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)CCCc1nnn[n-]1 ZINC001433706158 1001983483 /nfs/dbraw/zinc/98/34/83/1001983483.db2.gz BLJGFDMESGOPNI-VIFPVBQESA-N -1 0 303.388 -0.196 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC(n3ccnc3)C2)c1 ZINC001433707852 1001984933 /nfs/dbraw/zinc/98/49/33/1001984933.db2.gz JEPUVOSOZBIRPJ-UHFFFAOYSA-N -1 0 322.346 -0.067 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001433710725 1001987339 /nfs/dbraw/zinc/98/73/39/1001987339.db2.gz ANUPDWMYJGGPBF-BQBZGAKWSA-N -1 0 320.396 -0.364 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)CCCc2nnn[n-]2)C1 ZINC001433711835 1001988473 /nfs/dbraw/zinc/98/84/73/1001988473.db2.gz PIPZNRAWESEAHU-VHSXEESVSA-N -1 0 315.399 -0.006 20 0 DBADRM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)CCCc2nnn[n-]2)C1 ZINC001433711837 1001990152 /nfs/dbraw/zinc/99/01/52/1001990152.db2.gz PIPZNRAWESEAHU-ZJUUUORDSA-N -1 0 315.399 -0.006 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001591605413 1016553181 /nfs/dbraw/zinc/55/31/81/1016553181.db2.gz MHQWTALMYIWTGU-VHSXEESVSA-N -1 0 311.338 -0.813 20 0 DBADRM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001433734745 1002004525 /nfs/dbraw/zinc/00/45/25/1002004525.db2.gz HFXHPILWNZXXTG-SSDOTTSWSA-N -1 0 308.342 -0.213 20 0 DBADRM CC(C)N(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1nnnn1C ZINC001591590806 1016553937 /nfs/dbraw/zinc/55/39/37/1016553937.db2.gz HWUUIUIQYDSLAC-QWRGUYRKSA-N -1 0 324.385 -0.353 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)C(=O)NCCOCC(=O)[O-] ZINC001591595224 1016554170 /nfs/dbraw/zinc/55/41/70/1016554170.db2.gz DMYIFSZIFKXHSB-UHFFFAOYSA-N -1 0 310.372 -0.448 20 0 DBADRM CC(C)N(C[C@H](O)CO)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001591573930 1016554863 /nfs/dbraw/zinc/55/48/63/1016554863.db2.gz VACKTGNEGRVOSC-ZETCQYMHSA-N -1 0 324.380 -0.406 20 0 DBADRM CCC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)c1nnn[n-]1 ZINC001433761654 1002016779 /nfs/dbraw/zinc/01/67/79/1002016779.db2.gz SVOVVSUDQFHLBJ-MRVPVSSYSA-N -1 0 304.376 -0.561 20 0 DBADRM CN(C)c1nccc2c1CN(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC001413803490 1002018540 /nfs/dbraw/zinc/01/85/40/1002018540.db2.gz WECYFSJNFCTVAN-UHFFFAOYSA-N -1 0 316.321 -0.058 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2c[n-]ncc2=O)C(=O)N1c1cnn(C)c1 ZINC001433763597 1002019306 /nfs/dbraw/zinc/01/93/06/1002019306.db2.gz ZWJMYUCOXKYPOJ-GZMMTYOYSA-N -1 0 316.321 -0.161 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@]2(CCOC2=O)C1 ZINC001413808102 1002019932 /nfs/dbraw/zinc/01/99/32/1002019932.db2.gz DCDYYOBIOHMIQP-ZDUSSCGKSA-N -1 0 310.310 -0.365 20 0 DBADRM CC(C)N1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1=O ZINC001591633314 1016555950 /nfs/dbraw/zinc/55/59/50/1016555950.db2.gz FHPBNOAKLGXVFQ-AOOOYVTPSA-N -1 0 304.368 -0.268 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001591641074 1016556408 /nfs/dbraw/zinc/55/64/08/1016556408.db2.gz HIGUKEIFEWSPOI-ABAIWWIYSA-N -1 0 311.382 -0.092 20 0 DBADRM CC(C)NC(=O)CCCC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001591640403 1016557790 /nfs/dbraw/zinc/55/77/90/1016557790.db2.gz VOCAHWUJXYKTMK-QWRGUYRKSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1=O ZINC001433795512 1002034201 /nfs/dbraw/zinc/03/42/01/1002034201.db2.gz KWQLKKNVUZNPSP-OPRDCNLKSA-N -1 0 323.353 -0.405 20 0 DBADRM CCC(=O)N1CC[C@@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001495121362 1016558676 /nfs/dbraw/zinc/55/86/76/1016558676.db2.gz TYIKCBQEXOYTGV-VIFPVBQESA-N -1 0 323.353 -0.410 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001433805287 1002039012 /nfs/dbraw/zinc/03/90/12/1002039012.db2.gz GFHNFLRFZCAQBL-JTQLQIEISA-N -1 0 322.321 -0.327 20 0 DBADRM CC(C)NC(=O)CN1CC=C(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001591645479 1016559364 /nfs/dbraw/zinc/55/93/64/1016559364.db2.gz VBSABIVHEUUMLU-OLZOCXBDSA-N -1 0 323.393 -0.020 20 0 DBADRM O=C(NCc1nnc2n1CCNC2=O)c1ccc(F)cc1[O-] ZINC001413859662 1002043280 /nfs/dbraw/zinc/04/32/80/1002043280.db2.gz PTQWUNYCJYCBLG-UHFFFAOYSA-N -1 0 305.269 -0.204 20 0 DBADRM CS[C@@H](CO)[C@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001433812690 1002043184 /nfs/dbraw/zinc/04/31/84/1002043184.db2.gz UVFYEHZISRORSD-YUMQZZPRSA-N -1 0 304.372 -0.302 20 0 DBADRM CC(C)NC(=O)CN1CC=C(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001591645480 1016559751 /nfs/dbraw/zinc/55/97/51/1016559751.db2.gz VBSABIVHEUUMLU-QWHCGFSZSA-N -1 0 323.393 -0.020 20 0 DBADRM COc1cncc(Cn2nc(C)c(C)c(-c3nnn[n-]3)c2=O)n1 ZINC001591658575 1016559844 /nfs/dbraw/zinc/55/98/44/1016559844.db2.gz AWOHONYFLDUJLX-UHFFFAOYSA-N -1 0 314.309 -0.113 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001591661312 1016560536 /nfs/dbraw/zinc/56/05/36/1016560536.db2.gz IVKUBZMZYIFTJM-UHFFFAOYSA-N -1 0 318.355 -0.975 20 0 DBADRM CC(C)NC(=O)CNC(=S)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001591645236 1016561083 /nfs/dbraw/zinc/56/10/83/1016561083.db2.gz QVSRLDWZCCRERR-IUCAKERBSA-N -1 0 303.384 -0.847 20 0 DBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](CF)C(=O)[O-])c1 ZINC001591666393 1016564106 /nfs/dbraw/zinc/56/41/06/1016564106.db2.gz BOXYPDZBLLVMRL-VIFPVBQESA-N -1 0 321.330 -0.146 20 0 DBADRM C[C@H](NC(=O)Cn1cnnn1)C(=O)NCc1ccc(O)c(F)c1 ZINC001433844786 1002065750 /nfs/dbraw/zinc/06/57/50/1002065750.db2.gz FWAQPYTWQSRPNA-QMMMGPOBSA-N -1 0 322.300 -0.661 20 0 DBADRM CC(C)NS(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001591666830 1016564513 /nfs/dbraw/zinc/56/45/13/1016564513.db2.gz QCXXYBACBOQLDB-VIFPVBQESA-N -1 0 317.371 -0.144 20 0 DBADRM C[C@](O)(CC(=O)NCC1(NC(=O)c2cn[nH]n2)CC1)C1CC1 ZINC001433868195 1002080827 /nfs/dbraw/zinc/08/08/27/1002080827.db2.gz NBPWWHQJLMDDPI-ZDUSSCGKSA-N -1 0 307.354 -0.266 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCC1CCS(=O)(=O)CC1 ZINC001433876736 1002088857 /nfs/dbraw/zinc/08/88/57/1002088857.db2.gz GTRSXOYQHLGLTI-UHFFFAOYSA-N -1 0 301.372 -0.537 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)CCCc2nnn[n-]2)C1 ZINC001433891594 1002096579 /nfs/dbraw/zinc/09/65/79/1002096579.db2.gz QJIRLIWKORZSHV-SECBINFHSA-N -1 0 301.372 -0.442 20 0 DBADRM COC[C@H](CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)OC ZINC001433894196 1002097491 /nfs/dbraw/zinc/09/74/91/1002097491.db2.gz CHUAJRHVKPPSME-NSHDSACASA-N -1 0 322.321 -0.343 20 0 DBADRM CN(Cc1cc(=O)n2[n-]c(N)nc2n1)C1(C(N)=O)CCCC1 ZINC001413967516 1002100304 /nfs/dbraw/zinc/10/03/04/1002100304.db2.gz HVKDIHYQPHMGOJ-UHFFFAOYSA-N -1 0 305.342 -0.770 20 0 DBADRM Cc1cn2ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc2n1 ZINC001433907314 1002105729 /nfs/dbraw/zinc/10/57/29/1002105729.db2.gz SAIBDRCQJWSPFA-UHFFFAOYSA-N -1 0 324.362 -0.162 20 0 DBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)C1=CCS(=O)(=O)C1 ZINC001433906623 1002105886 /nfs/dbraw/zinc/10/58/86/1002105886.db2.gz MXZLLLHMHTWCNS-UHFFFAOYSA-N -1 0 321.318 -0.339 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCC[C@@H](OCCO)C1 ZINC001433907814 1002105924 /nfs/dbraw/zinc/10/59/24/1002105924.db2.gz XRZNLICYMXMLJK-SNVBAGLBSA-N -1 0 306.322 -0.364 20 0 DBADRM C[C@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@@H](CO)O1 ZINC001433910792 1002107619 /nfs/dbraw/zinc/10/76/19/1002107619.db2.gz JPFBXOIHEBHEAF-IUCAKERBSA-N -1 0 300.315 -0.922 20 0 DBADRM C[C@H](C(=O)N1CCSC[C@@H]1c1nnn[n-]1)[C@H]1CCC(=O)N1 ZINC001433927543 1002119404 /nfs/dbraw/zinc/11/94/04/1002119404.db2.gz ZEWSOISXAIPGFO-DJLDLDEBSA-N -1 0 310.383 -0.269 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCCc2nnc(N)o2)cc1=O ZINC001433927142 1002120001 /nfs/dbraw/zinc/12/00/01/1002120001.db2.gz UXNTZPDJHSGTKA-UHFFFAOYSA-N -1 0 308.342 -0.301 20 0 DBADRM Cn1cc([C@H](O)C(=O)N2CCSC[C@H]2c2nnn[n-]2)cn1 ZINC001433926984 1002120374 /nfs/dbraw/zinc/12/03/74/1002120374.db2.gz WIENONDQLGXUAY-IUCAKERBSA-N -1 0 309.355 -0.717 20 0 DBADRM O=C(C1=C[S@@](=O)CCC1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001433936650 1002124912 /nfs/dbraw/zinc/12/49/12/1002124912.db2.gz RHHLSFBZVSVYSB-NRFANRHFSA-N -1 0 311.367 -0.564 20 0 DBADRM CC(C)OC(=O)[C@H](C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001591686165 1016572216 /nfs/dbraw/zinc/57/22/16/1016572216.db2.gz ZYXMKCYEPNHJTF-QMMMGPOBSA-N -1 0 319.339 -0.414 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)c2n[n-]c3ccccc3c2=O)CC1 ZINC001433941096 1002129057 /nfs/dbraw/zinc/12/90/57/1002129057.db2.gz BRWWRXXOTAOODN-UHFFFAOYSA-N -1 0 316.317 -0.212 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@]2(CCCOC2)O1 ZINC001433951997 1002131344 /nfs/dbraw/zinc/13/13/44/1002131344.db2.gz WVTAPPSAZILSJN-NOZJJQNGSA-N -1 0 312.326 -0.514 20 0 DBADRM CC(C)O[C@]1(CS(=O)(=O)N[C@H](CF)C(=O)[O-])CCOC1 ZINC001591694721 1016573175 /nfs/dbraw/zinc/57/31/75/1016573175.db2.gz ANZBYPMRZUSIRI-MWLCHTKSSA-N -1 0 313.347 -0.087 20 0 DBADRM CNC(=O)CC[C@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001433972017 1002143214 /nfs/dbraw/zinc/14/32/14/1002143214.db2.gz GNXBHHJKRDQEAW-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM CO[C@@H]1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C[C@H]1O ZINC001433992015 1002153131 /nfs/dbraw/zinc/15/31/31/1002153131.db2.gz FOJKUPKWOKDYOE-GHMZBOCLSA-N -1 0 320.305 -0.902 20 0 DBADRM CC(C)(C)C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001433993278 1002153294 /nfs/dbraw/zinc/15/32/94/1002153294.db2.gz OHHGLNZEFNIQOT-UHFFFAOYSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CCn1cnccc1=O ZINC001591703981 1016577353 /nfs/dbraw/zinc/57/73/53/1016577353.db2.gz JDEIIVGBRJBNHZ-NSHDSACASA-N -1 0 311.338 -0.030 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001591703694 1016577783 /nfs/dbraw/zinc/57/77/83/1016577783.db2.gz HPUPNTQEBAFVIV-JTQLQIEISA-N -1 0 307.368 -0.242 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CN1CCOCC1=O ZINC001591703525 1016577904 /nfs/dbraw/zinc/57/79/04/1016577904.db2.gz DKWZXDJMRZLPPD-JTQLQIEISA-N -1 0 302.327 -0.818 20 0 DBADRM CC(C)OCC(=O)NC[C@@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001591704346 1016578059 /nfs/dbraw/zinc/57/80/59/1016578059.db2.gz GTHNZKPSGXHVMX-SNVBAGLBSA-N -1 0 312.326 -0.511 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1cccnc1 ZINC001434006607 1002166310 /nfs/dbraw/zinc/16/63/10/1002166310.db2.gz LKJITBJBGNBAGE-VIFPVBQESA-N -1 0 307.266 -0.885 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CC1C(=O)N=CNC1=O ZINC001591705390 1016578205 /nfs/dbraw/zinc/57/82/05/1016578205.db2.gz YEDPDFONYHXLTE-VIFPVBQESA-N -1 0 313.310 -0.233 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCCN1C(=O)CCc1nnn[n-]1 ZINC001434015517 1002168660 /nfs/dbraw/zinc/16/86/60/1002168660.db2.gz VGBDHMOHIUBUPJ-SECBINFHSA-N -1 0 301.372 -0.442 20 0 DBADRM CS[C@H]1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001591702781 1016578748 /nfs/dbraw/zinc/57/87/48/1016578748.db2.gz XUBDVVVKDDWMGU-IZLXSQMJSA-N -1 0 309.355 -0.028 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(=O)[nH]n2)cn1 ZINC001434023893 1002174567 /nfs/dbraw/zinc/17/45/67/1002174567.db2.gz YRGUVBJJEPTYRW-UHFFFAOYSA-N -1 0 323.334 -0.121 20 0 DBADRM CCn1ncn([N-]C(=O)c2ccc(S(N)(=O)=O)s2)c1=O ZINC001434041820 1002188105 /nfs/dbraw/zinc/18/81/05/1002188105.db2.gz PQUDSRSIOFAGKF-UHFFFAOYSA-N -1 0 317.352 -0.843 20 0 DBADRM CC(=O)NCC[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001434040482 1002189944 /nfs/dbraw/zinc/18/99/44/1002189944.db2.gz FEVJTCBWUKIKFO-JTQLQIEISA-N -1 0 311.342 -0.546 20 0 DBADRM COc1cccc(C2=NO[C@@H](C(=O)Nn3c(=O)[n-][nH]c3=O)C2)c1 ZINC001434045859 1002192620 /nfs/dbraw/zinc/19/26/20/1002192620.db2.gz YVCPJNUXUYLTKV-SNVBAGLBSA-N -1 0 319.277 -0.039 20 0 DBADRM NC(=O)Cc1ccc(CNC(=O)CCCc2nnn[n-]2)cc1 ZINC001434046681 1002195320 /nfs/dbraw/zinc/19/53/20/1002195320.db2.gz PTHICAKIPHDCFE-UHFFFAOYSA-N -1 0 302.338 -0.133 20 0 DBADRM Cc1nnc(CCNC(=O)CCCn2c(=O)[n-][nH]c2=O)s1 ZINC001434048416 1002196259 /nfs/dbraw/zinc/19/62/59/1002196259.db2.gz WCOCDKCLRUSCEM-UHFFFAOYSA-N -1 0 312.355 -0.012 20 0 DBADRM CN(C(=O)CCC1CC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001434050890 1002199197 /nfs/dbraw/zinc/19/91/97/1002199197.db2.gz LXIGDAKAUQYFKW-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NCc2cn(C)nn2)c1[O-] ZINC001425565734 1002199795 /nfs/dbraw/zinc/19/97/95/1002199795.db2.gz MFPOAJQAPAHRLI-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM COC[C@@H](C)C(=O)N(C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001434052772 1002200383 /nfs/dbraw/zinc/20/03/83/1002200383.db2.gz UFSHKNRICSVHAM-MRVPVSSYSA-N -1 0 310.354 -0.011 20 0 DBADRM COC[C@H](C)C(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001434054542 1002203253 /nfs/dbraw/zinc/20/32/53/1002203253.db2.gz FPPNQUNUJFMSLM-QMMMGPOBSA-N -1 0 310.354 -0.011 20 0 DBADRM C[C@@H](NS(=O)(=O)Cc1ccccc1-c1nn[nH]n1)C(=O)[O-] ZINC001591730310 1016583916 /nfs/dbraw/zinc/58/39/16/1016583916.db2.gz DZMXASLLGDKRNT-SSDOTTSWSA-N -1 0 311.323 -0.241 20 0 DBADRM C[C@@H]1CN(CCO)CCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001434078700 1002234031 /nfs/dbraw/zinc/23/40/31/1002234031.db2.gz VGMIYBUZUSWXGO-SNVBAGLBSA-N -1 0 305.338 -0.839 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]CC(=O)NCc1ccccc1 ZINC001414202507 1002248955 /nfs/dbraw/zinc/24/89/55/1002248955.db2.gz XTLDZHWBLJGHHN-UHFFFAOYSA-N -1 0 319.408 -0.135 20 0 DBADRM CN1CC2(CN(C(=O)c3c[n-]n4c3nccc4=O)C2)OC1=O ZINC001434101763 1002254019 /nfs/dbraw/zinc/25/40/19/1002254019.db2.gz QCPICMZZOXKQJX-UHFFFAOYSA-N -1 0 303.278 -0.701 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@]1(O)CCOC1 ZINC001414232081 1002264734 /nfs/dbraw/zinc/26/47/34/1002264734.db2.gz JYLVTGXZODMYJO-MGNBDDOMSA-N -1 0 314.429 -0.132 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CCn2cncc2C1 ZINC001434116547 1002270113 /nfs/dbraw/zinc/27/01/13/1002270113.db2.gz CUNQTZDDUWBOPE-SECBINFHSA-N -1 0 306.326 -0.203 20 0 DBADRM COC[C@@](C)([N-]S(=O)(=O)Cc1nocc1C)C(=O)OC ZINC001414234696 1002273099 /nfs/dbraw/zinc/27/30/99/1002273099.db2.gz WRMBGGARLWHMIC-LLVKDONJSA-N -1 0 306.340 -0.019 20 0 DBADRM COCC1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001434126407 1002279375 /nfs/dbraw/zinc/27/93/75/1002279375.db2.gz OUQHFMNYWIVPCG-UHFFFAOYSA-N -1 0 304.306 -0.015 20 0 DBADRM CCOC(=O)Cn1nc(C)cc1NC(=O)CCc1nnn[n-]1 ZINC001434143498 1002282212 /nfs/dbraw/zinc/28/22/12/1002282212.db2.gz NXQFIEXBBAOOJH-UHFFFAOYSA-N -1 0 307.314 -0.161 20 0 DBADRM CC(=O)N[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CCCC1 ZINC001434133767 1002283900 /nfs/dbraw/zinc/28/39/00/1002283900.db2.gz PGOAMVGYCQXTNE-SNVBAGLBSA-N -1 0 311.342 -0.500 20 0 DBADRM CCC(=O)N[C@H]1CC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001425679182 1002285556 /nfs/dbraw/zinc/28/55/56/1002285556.db2.gz CEQUDQWTDAUOKP-IUCAKERBSA-N -1 0 311.342 -0.500 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)cn1)N1CC(N2CC[C@@H](O)C2)C1 ZINC001434151866 1002288438 /nfs/dbraw/zinc/28/84/38/1002288438.db2.gz HOROUWMBPFQOQT-LLVKDONJSA-N -1 0 315.337 -0.847 20 0 DBADRM CCN(C)C(=O)C[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001414253602 1002290342 /nfs/dbraw/zinc/29/03/42/1002290342.db2.gz SMBZZRSYMFGTNT-UHFFFAOYSA-N -1 0 304.324 -0.177 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2C(=O)OCC2(C)C)n[nH]1 ZINC001414285149 1002306033 /nfs/dbraw/zinc/30/60/33/1002306033.db2.gz WFMAUJHTIUYWNZ-QMMMGPOBSA-N -1 0 317.323 -0.574 20 0 DBADRM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001414302169 1002312587 /nfs/dbraw/zinc/31/25/87/1002312587.db2.gz TTZIQQKTZDGLOR-MRVPVSSYSA-N -1 0 316.376 -0.016 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCC(=O)N(C)C ZINC001591836054 1016601481 /nfs/dbraw/zinc/60/14/81/1016601481.db2.gz VOGGCDZMLBLEAZ-UHFFFAOYSA-N -1 0 305.298 -0.906 20 0 DBADRM C[C@@H]1CC[C@@H](NS(=O)(=O)c2nncn2C)CS1(=O)=O ZINC001414309742 1002317194 /nfs/dbraw/zinc/31/71/94/1002317194.db2.gz QGIPBCHEWCSOGO-HTQZYQBOSA-N -1 0 308.385 -0.941 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NC[C@@H]1COCCO1 ZINC001591835988 1016602402 /nfs/dbraw/zinc/60/24/02/1016602402.db2.gz RUDKARFYEJKTAX-MRVPVSSYSA-N -1 0 320.309 -0.579 20 0 DBADRM CC(C)[C@H](NC(=O)CNC(CO)(CO)C(F)(F)F)C(=O)[O-] ZINC001591870646 1016603673 /nfs/dbraw/zinc/60/36/73/1016603673.db2.gz PAWHLRVCEPRBIQ-QMMMGPOBSA-N -1 0 316.276 -0.913 20 0 DBADRM Cn1ncc(C(F)(F)F)c1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001434220413 1002329117 /nfs/dbraw/zinc/32/91/17/1002329117.db2.gz OCYJCDBIBQUROQ-UHFFFAOYSA-N -1 0 320.231 -0.242 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCO[C@H](C(=O)C2CC2)C1)C(=O)[O-] ZINC001591870599 1016603725 /nfs/dbraw/zinc/60/37/25/1016603725.db2.gz NZOUAXIUIJXOSE-AAEUAGOBSA-N -1 0 312.366 -0.108 20 0 DBADRM CC(C)[C@H](NC(=O)CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001591867635 1016604281 /nfs/dbraw/zinc/60/42/81/1016604281.db2.gz SYMSPKOTTCXAER-NHCYSSNCSA-N -1 0 322.427 -0.035 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC[C@H]2CCNC(=O)[C@@H]21)C(=O)[O-] ZINC001591865870 1016604877 /nfs/dbraw/zinc/60/48/77/1016604877.db2.gz DBBIJXWVKCVQMD-WCFLWFBJSA-N -1 0 311.382 -0.188 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCN(c2cccnn2)CC1)C(=O)[O-] ZINC001591870533 1016604943 /nfs/dbraw/zinc/60/49/43/1016604943.db2.gz MSFJHVWEQUPCIB-AWEZNQCLSA-N -1 0 321.381 -0.176 20 0 DBADRM C[C@@](CO)(Cc1ccccc1F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001434247345 1002343322 /nfs/dbraw/zinc/34/33/22/1002343322.db2.gz CMIOOLJWLRWKBM-AWEZNQCLSA-N -1 0 324.312 -0.062 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001434250454 1002344333 /nfs/dbraw/zinc/34/43/33/1002344333.db2.gz ZJODGKIWVYZBFP-NSHDSACASA-N -1 0 313.354 -0.585 20 0 DBADRM CCCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001414357513 1002346538 /nfs/dbraw/zinc/34/65/38/1002346538.db2.gz PVGOQRNSAMBDFJ-VHSXEESVSA-N -1 0 310.354 -0.085 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@H](CO)[C@H](O)c1ccccn1 ZINC001434274940 1002353591 /nfs/dbraw/zinc/35/35/91/1002353591.db2.gz GJGTXRPQCZKFLV-ZWNOBZJWSA-N -1 0 306.326 -0.872 20 0 DBADRM O=C(c1cnn2c1OCCC2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001434278535 1002356087 /nfs/dbraw/zinc/35/60/87/1002356087.db2.gz VVPOJWCVUACUPP-VIFPVBQESA-N -1 0 305.298 -0.608 20 0 DBADRM O=C([C@H]1CCCCS1(=O)=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001434278569 1002356210 /nfs/dbraw/zinc/35/62/10/1002356210.db2.gz WHHNGKYEYKNQEE-DTWKUNHWSA-N -1 0 315.355 -0.933 20 0 DBADRM Cc1cc(-c2nn[nH]n2)cnc1C(=O)NCCc1nc(=O)o[n-]1 ZINC001591876114 1016609389 /nfs/dbraw/zinc/60/93/89/1016609389.db2.gz SOCVTYBJCYGMSP-UHFFFAOYSA-N -1 0 316.281 -0.781 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)n1 ZINC001591890452 1016610528 /nfs/dbraw/zinc/61/05/28/1016610528.db2.gz GDGLBNOSITYYSL-OCAPTIKFSA-N -1 0 314.309 -0.984 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N(C)CCNC(=O)C2CC2)n1 ZINC001591884329 1016611060 /nfs/dbraw/zinc/61/10/60/1016611060.db2.gz CGYLWWVMPYPGGQ-UHFFFAOYSA-N -1 0 302.342 -0.072 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001434314198 1002372481 /nfs/dbraw/zinc/37/24/81/1002372481.db2.gz GJXFDTMKRIULSZ-VIFPVBQESA-N -1 0 301.372 -0.270 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N1CC[N@H+](CCC(=O)[O-])[C@H](C)C1 ZINC001591894244 1016611324 /nfs/dbraw/zinc/61/13/24/1016611324.db2.gz DVAIYURVXXTLQT-PWSUYJOCSA-N -1 0 314.386 -0.313 20 0 DBADRM CCO[C@H]1C[C@@](O)(CNC(=O)N=c2nn[n-]n2CC)C1(C)C ZINC001414446076 1002373771 /nfs/dbraw/zinc/37/37/71/1002373771.db2.gz JFHYYPPMRQSUCW-TVQRCGJNSA-N -1 0 312.374 -0.198 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC001414445515 1002375388 /nfs/dbraw/zinc/37/53/88/1002375388.db2.gz DGPYVUYIOINMFN-GARJFASQSA-N -1 0 312.374 -0.198 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H](O)COc1cccc(F)c1 ZINC001414448769 1002376860 /nfs/dbraw/zinc/37/68/60/1002376860.db2.gz XANDCJCEFARQIN-JTQLQIEISA-N -1 0 324.316 -0.185 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCO[C@H](c2ccnn2C)C1 ZINC001414446919 1002376957 /nfs/dbraw/zinc/37/69/57/1002376957.db2.gz NHTRJMSKUBUUFH-JTQLQIEISA-N -1 0 306.330 -0.546 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CC(O)(c3ncnn3C)C2)c1 ZINC001591885997 1016612046 /nfs/dbraw/zinc/61/20/46/1016612046.db2.gz ZQZWYEFQRMXHFB-UHFFFAOYSA-N -1 0 313.325 -0.594 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NC[C@]2(OCCO)CCOC2)n1 ZINC001591895017 1016612385 /nfs/dbraw/zinc/61/23/85/1016612385.db2.gz MKFKUFWDMHLXTO-CYBMUJFWSA-N -1 0 321.341 -0.455 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](CO)c1ccccc1OC ZINC001425758816 1002385788 /nfs/dbraw/zinc/38/57/88/1002385788.db2.gz NOXACZVDVUJROD-SNVBAGLBSA-N -1 0 306.326 -0.021 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N[C@@H]2CCC(=O)N(C)C2=O)n1 ZINC001591892814 1016613231 /nfs/dbraw/zinc/61/32/31/1016613231.db2.gz PKJNBLNAEBEZEK-SSDOTTSWSA-N -1 0 302.298 -0.476 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)NC1(c2nnn[n-]2)CCC1 ZINC001434359307 1002413345 /nfs/dbraw/zinc/41/33/45/1002413345.db2.gz GDQGUWWBSDVHHC-ZETCQYMHSA-N -1 0 302.360 -0.977 20 0 DBADRM Cc1nc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)c(=O)[nH]c1C ZINC001434363729 1002416231 /nfs/dbraw/zinc/41/62/31/1002416231.db2.gz DCQTUESIGFMFGN-JTQLQIEISA-N -1 0 317.353 -0.005 20 0 DBADRM COC[C@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)c1nnn[n-]1 ZINC001434363573 1002417053 /nfs/dbraw/zinc/41/70/53/1002417053.db2.gz NMNADZXOKMUFQU-NSHDSACASA-N -1 0 316.321 -0.259 20 0 DBADRM O=C(C[C@@H]1CCCS(=O)(=O)C1)NC1(c2nnn[n-]2)CCC1 ZINC001434363078 1002417710 /nfs/dbraw/zinc/41/77/10/1002417710.db2.gz XNHHFLBLFZBYNJ-VIFPVBQESA-N -1 0 313.383 -0.090 20 0 DBADRM Cn1ncc(CCC(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)n1 ZINC001434366110 1002419972 /nfs/dbraw/zinc/41/99/72/1002419972.db2.gz YAAHDKJGOBBHBX-JTQLQIEISA-N -1 0 304.358 -0.258 20 0 DBADRM O=C(NC[C@@H]1COCCO1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001414542118 1002421701 /nfs/dbraw/zinc/42/17/01/1002421701.db2.gz KNEAXEJTQZKCFJ-VHSXEESVSA-N -1 0 311.342 -0.185 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](CO)[C@H]1CO ZINC001434373614 1002427182 /nfs/dbraw/zinc/42/71/82/1002427182.db2.gz CRUSDCGROMKHNV-VHSXEESVSA-N -1 0 314.342 -0.939 20 0 DBADRM Cc1cc(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)on1 ZINC001591965593 1016620082 /nfs/dbraw/zinc/62/00/82/1016620082.db2.gz XUUNZCVZCQOPQC-ZETCQYMHSA-N -1 0 303.286 -0.368 20 0 DBADRM Cc1cc(COC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)nn1C ZINC001591970089 1016621225 /nfs/dbraw/zinc/62/12/25/1016621225.db2.gz FUDIYMZYOWQCFE-QMMMGPOBSA-N -1 0 317.313 -0.195 20 0 DBADRM CCOC(=O)c1nc[nH]c1CNC(=O)CCCc1nnn[n-]1 ZINC001434394709 1002443044 /nfs/dbraw/zinc/44/30/44/1002443044.db2.gz FVHBFRVWGQOWIA-UHFFFAOYSA-N -1 0 307.314 -0.261 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1c2ccccc2OC[C@H]1CO ZINC001434413362 1002458030 /nfs/dbraw/zinc/45/80/30/1002458030.db2.gz DSRMCULCRGNLNP-PRHODGIISA-N -1 0 320.305 -0.452 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)c1[O-] ZINC001434422249 1002464028 /nfs/dbraw/zinc/46/40/28/1002464028.db2.gz BFSPVJMXVWVBGF-JGVFFNPUSA-N -1 0 302.356 -0.389 20 0 DBADRM CC(C)c1nc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c[nH]1 ZINC001592030835 1016624646 /nfs/dbraw/zinc/62/46/46/1016624646.db2.gz YSRQUECIEQCRFY-IUCAKERBSA-N -1 0 317.367 -0.011 20 0 DBADRM O=C(CC[C@@H]1CC[C@H](C2OCCO2)O1)NCc1n[nH]c(=O)[n-]1 ZINC001434431308 1002468423 /nfs/dbraw/zinc/46/84/23/1002468423.db2.gz OIFSOILTKLUQFP-DTWKUNHWSA-N -1 0 312.326 -0.173 20 0 DBADRM CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001425818485 1002476781 /nfs/dbraw/zinc/47/67/81/1002476781.db2.gz USEALZVAOGLUHZ-GMTAPVOTSA-N -1 0 311.386 -0.241 20 0 DBADRM CSc1nc(=O)n(CC(=O)NC2CCN(C(C)=O)CC2)[n-]1 ZINC001434454729 1002479576 /nfs/dbraw/zinc/47/95/76/1002479576.db2.gz GNUBXNJTQSXPKV-UHFFFAOYSA-N -1 0 313.383 -0.580 20 0 DBADRM Cc1ccc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)nc1C ZINC001592158516 1016630790 /nfs/dbraw/zinc/63/07/90/1016630790.db2.gz MZJJTZJGPHGMOG-UHFFFAOYSA-N -1 0 313.325 -0.214 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1CCCCNC1=O ZINC001434546779 1002515775 /nfs/dbraw/zinc/51/57/75/1002515775.db2.gz VXCXUDZEFMISKC-VIFPVBQESA-N -1 0 311.429 -0.003 20 0 DBADRM O=S(=O)(N[C@H]1CCS(=O)(=O)C1)c1cc([O-])cc(F)c1 ZINC001434545463 1002516151 /nfs/dbraw/zinc/51/61/51/1002516151.db2.gz IBYJGISTLUQVDT-QMMMGPOBSA-N -1 0 309.340 -0.003 20 0 DBADRM CC(C)n1cc(CNS(=O)(=O)N(C)CCC(=O)[O-])nn1 ZINC001592126890 1016633025 /nfs/dbraw/zinc/63/30/25/1016633025.db2.gz NGCDAKLANDPZTL-UHFFFAOYSA-N -1 0 305.360 -0.400 20 0 DBADRM Cn1ccc(N2CCC[C@@H](NS(=O)(=O)c3ncc[n-]3)C2=O)n1 ZINC001434555794 1002521373 /nfs/dbraw/zinc/52/13/73/1002521373.db2.gz SEKQMGPJFXVVKR-SECBINFHSA-N -1 0 324.366 -0.383 20 0 DBADRM C[C@@H]1C[C@@H](NS(=O)(=O)c2ncc[n-]2)C(=O)N1c1cnn(C)c1 ZINC001434555870 1002522341 /nfs/dbraw/zinc/52/23/41/1002522341.db2.gz BYHGJAVJLXYQAO-PSASIEDQSA-N -1 0 324.366 -0.385 20 0 DBADRM C[C@H](CCNC(=O)C1CC(C)C1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001495497598 1016634013 /nfs/dbraw/zinc/63/40/13/1016634013.db2.gz UKHUOYVRZLRVOW-QJAFJHJLSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)C(N)=O ZINC001434561584 1002528115 /nfs/dbraw/zinc/52/81/15/1002528115.db2.gz YMUNWVLFFZVJDS-NTCNTBNZSA-N -1 0 305.381 -0.149 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](CCO)COC ZINC001434560728 1002527612 /nfs/dbraw/zinc/52/76/12/1002527612.db2.gz IKZZSUKZLBZAHB-VIFPVBQESA-N -1 0 302.418 -0.274 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)c1occc1C(=O)OC)C(=O)OC ZINC001434560323 1002528282 /nfs/dbraw/zinc/52/82/82/1002528282.db2.gz UMSIBTZMSPKVHP-QMMMGPOBSA-N -1 0 321.307 -0.468 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NS(=O)(=O)c1cnn2c1OCCC2 ZINC001592212427 1016634273 /nfs/dbraw/zinc/63/42/73/1016634273.db2.gz RNJMJNPTVVWVGU-TUUFMJSCSA-N -1 0 301.324 -0.027 20 0 DBADRM C[C@@H](C1CC1)n1cc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])cn1 ZINC001592180614 1016634784 /nfs/dbraw/zinc/63/47/84/1016634784.db2.gz IPSRCWWSIBUTLA-GZMMTYOYSA-N -1 0 324.337 -0.256 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@H](C)OC2=O)n[nH]1 ZINC001434571415 1002535243 /nfs/dbraw/zinc/53/52/43/1002535243.db2.gz FWKLSFGCGYQSSD-CAHLUQPWSA-N -1 0 303.296 -0.821 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)CNS(=O)(=O)c1cccnc1 ZINC001592203417 1016635697 /nfs/dbraw/zinc/63/56/97/1016635697.db2.gz ZNZFIQICRJBJTH-WBSSQXGSSA-N -1 0 313.335 -0.495 20 0 DBADRM CCn1ncc(C[N-]S(=O)(=O)N=S2(=O)CCCC2)n1 ZINC001434589974 1002549112 /nfs/dbraw/zinc/54/91/12/1002549112.db2.gz LDTIABHZXLYOMR-UHFFFAOYSA-N -1 0 307.401 -0.106 20 0 DBADRM C[C@H](CC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1)NC(N)=O ZINC001592228182 1016637738 /nfs/dbraw/zinc/63/77/38/1016637738.db2.gz ZZRCGVAHRFWUQM-NXEZZACHSA-N -1 0 301.343 -0.084 20 0 DBADRM CCOC(=O)[C@H]1CN(S(=O)(=O)c2ncc[n-]2)CC12COC2 ZINC001434614292 1002554034 /nfs/dbraw/zinc/55/40/34/1002554034.db2.gz XXFODUXGMFDBES-SECBINFHSA-N -1 0 315.351 -0.390 20 0 DBADRM C[C@@H](CC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1)NC(N)=O ZINC001592261985 1016638621 /nfs/dbraw/zinc/63/86/21/1016638621.db2.gz KMIKHZDJEWWPMQ-QMMMGPOBSA-N -1 0 322.321 -0.114 20 0 DBADRM CCCC(=O)NC[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001414817458 1002559964 /nfs/dbraw/zinc/55/99/64/1002559964.db2.gz NQVQUJMWLCEVNP-NSHDSACASA-N -1 0 322.365 -0.089 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1nc2ncc(CCO)cn2n1 ZINC001592218680 1016638965 /nfs/dbraw/zinc/63/89/65/1016638965.db2.gz QIPHRIBGOJPUPP-SGJFDWMWSA-N -1 0 305.294 -0.582 20 0 DBADRM C[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1nnnn1C ZINC001434646852 1002563326 /nfs/dbraw/zinc/56/33/26/1002563326.db2.gz XYTKGSPQCLZERK-SSDOTTSWSA-N -1 0 308.389 -0.633 20 0 DBADRM Cc1ccn(CC(=O)NC(=O)NC2CC2)c(=O)c1-c1nnn[n-]1 ZINC001592265293 1016639842 /nfs/dbraw/zinc/63/98/42/1016639842.db2.gz NCWPSGZTQRDAKJ-UHFFFAOYSA-N -1 0 317.309 -0.675 20 0 DBADRM Cc1ccn(Cc2ncnn2CCF)c(=O)c1-c1nnn[n-]1 ZINC001592265937 1016640503 /nfs/dbraw/zinc/64/05/03/1016640503.db2.gz QQGNFAGRGWYKFH-UHFFFAOYSA-N -1 0 304.289 -0.054 20 0 DBADRM Cn1ccnc(NC(=O)NCc2nnc([O-])n2C2CC2)c1=O ZINC001434718853 1002575729 /nfs/dbraw/zinc/57/57/29/1002575729.db2.gz JTKTWWNGCWGNSY-UHFFFAOYSA-N -1 0 305.298 -0.266 20 0 DBADRM Cc1ccn(CN2CC[C@@H](CC(N)=O)C2)c(=O)c1-c1nnn[n-]1 ZINC001592268235 1016641759 /nfs/dbraw/zinc/64/17/59/1016641759.db2.gz ZXMKKXKQEOHUTR-JTQLQIEISA-N -1 0 317.353 -0.508 20 0 DBADRM CCC(=O)N[C@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001414869793 1002578293 /nfs/dbraw/zinc/57/82/93/1002578293.db2.gz VHXNIOOPRBVYAR-SNVBAGLBSA-N -1 0 323.353 -0.364 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1nc(CN(C)C)cs1 ZINC001434729329 1002579305 /nfs/dbraw/zinc/57/93/05/1002579305.db2.gz CKIBRWQKUKUGHI-UHFFFAOYSA-N -1 0 310.387 -0.045 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCC(=O)N1CCC[C@H](C)C1 ZINC001434730236 1002579345 /nfs/dbraw/zinc/57/93/45/1002579345.db2.gz SDTDUXXAQKQUSR-JTQLQIEISA-N -1 0 309.374 -0.115 20 0 DBADRM CCn1[n-]nnc1=NC(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC001434730202 1002580428 /nfs/dbraw/zinc/58/04/28/1002580428.db2.gz QWFFKEDSUOKPRL-UHFFFAOYSA-N -1 0 307.318 -0.956 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1cc(C(=O)OC)c(C)n1C ZINC001434730614 1002580654 /nfs/dbraw/zinc/58/06/54/1002580654.db2.gz ZWKHNZCBLOCPMX-UHFFFAOYSA-N -1 0 321.341 -0.130 20 0 DBADRM Cc1ccn(C[C@@H]2CCS(=O)(=O)C2)c(=O)c1-c1nnn[n-]1 ZINC001592266804 1016642872 /nfs/dbraw/zinc/64/28/72/1016642872.db2.gz XMCDBWATCKAACL-VIFPVBQESA-N -1 0 309.351 -0.228 20 0 DBADRM CNC(=O)CCN(C)C(=O)Nc1n[nH]nc1C(=O)NC1CC1 ZINC001434752876 1002587383 /nfs/dbraw/zinc/58/73/83/1002587383.db2.gz GPZAQYJXRYVUPF-UHFFFAOYSA-N -1 0 309.330 -0.703 20 0 DBADRM CC(CO)(CO)CNC(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC001434795188 1002609228 /nfs/dbraw/zinc/60/92/28/1002609228.db2.gz CZLRILBVTJIATD-UHFFFAOYSA-N -1 0 311.264 -0.386 20 0 DBADRM CCn1ccnc(NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)c1=O ZINC001597911599 1017213295 /nfs/dbraw/zinc/21/32/95/1017213295.db2.gz WLASOXJPNBTSPA-QPUJVOFHSA-N -1 0 315.351 -0.437 20 0 DBADRM O=C(N[C@H]1C[C@@H](CO)C1)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001434841551 1002642179 /nfs/dbraw/zinc/64/21/79/1002642179.db2.gz QPMJRBOSSORHIM-GARJFASQSA-N -1 0 307.354 -0.169 20 0 DBADRM O=C(N[C@H]1CCN(c2cc(=O)[nH]cn2)C1)N[C@H]1CCC[C@@H]1O ZINC001434841589 1002642813 /nfs/dbraw/zinc/64/28/13/1002642813.db2.gz QZHWWDKKHIQJBA-DCAQKATOSA-N -1 0 307.354 -0.027 20 0 DBADRM C[C@@]1(NC(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)CCOC1=O ZINC001434841698 1002643498 /nfs/dbraw/zinc/64/34/98/1002643498.db2.gz VFACWAPCYUFAGO-LKFCYVNXSA-N -1 0 321.337 -0.234 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1nc(N2CCCC2)ncc1Cl ZINC001435684632 1002659532 /nfs/dbraw/zinc/65/95/32/1002659532.db2.gz RQUGRWXULAXYKD-UHFFFAOYSA-N -1 0 308.733 -0.072 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001436317802 1002669594 /nfs/dbraw/zinc/66/95/94/1002669594.db2.gz FSNTZVYBOPLMJI-MNOVXSKESA-N -1 0 324.385 -0.542 20 0 DBADRM Cc1ncncc1C(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC001415110504 1002672225 /nfs/dbraw/zinc/67/22/25/1002672225.db2.gz VDQWYBPJWRYYEZ-UHFFFAOYSA-N -1 0 317.353 -0.835 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)CCc1cn[nH]n1 ZINC001436323450 1002673298 /nfs/dbraw/zinc/67/32/98/1002673298.db2.gz OWGIWLDCPRORCB-JTQLQIEISA-N -1 0 320.357 -0.706 20 0 DBADRM CC(=O)N1CCC([C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001426085058 1002679400 /nfs/dbraw/zinc/67/94/00/1002679400.db2.gz LMRQZHPLRVFTAS-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N1CCN(c2c[nH]c(=O)nc2N)CC1 ZINC001592375599 1016655876 /nfs/dbraw/zinc/65/58/76/1016655876.db2.gz SGUFQEKGVVDVLY-VIFPVBQESA-N -1 0 323.353 -0.086 20 0 DBADRM CCCC(=O)NC1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001426131161 1002698497 /nfs/dbraw/zinc/69/84/97/1002698497.db2.gz CBIPUZHKUWWXSI-UHFFFAOYSA-N -1 0 311.342 -0.405 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)NCCN(C)CCS(C)(=O)=O ZINC001592387999 1016658189 /nfs/dbraw/zinc/65/81/89/1016658189.db2.gz LOVRWGGIRXWIMW-SNVBAGLBSA-N -1 0 308.400 -0.420 20 0 DBADRM Cc1ncc(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)o1 ZINC001592409848 1016658822 /nfs/dbraw/zinc/65/88/22/1016658822.db2.gz KSGJHCXOZYHEEI-LURJTMIESA-N -1 0 303.286 -0.368 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CC2CS(=O)(=O)C2)CC1 ZINC001592410750 1016659989 /nfs/dbraw/zinc/65/99/89/1016659989.db2.gz ORVPTWMDMSMLMX-JTQLQIEISA-N -1 0 318.395 -0.572 20 0 DBADRM Cc1ncc(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)o1 ZINC001592409849 1016660310 /nfs/dbraw/zinc/66/03/10/1016660310.db2.gz KSGJHCXOZYHEEI-ZCFIWIBFSA-N -1 0 303.286 -0.368 20 0 DBADRM CC[C@H](F)C(=O)N[C@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001495614789 1016660477 /nfs/dbraw/zinc/66/04/77/1016660477.db2.gz DWHXNPZJRKBCRW-RQJHMYQMSA-N -1 0 315.305 -0.345 20 0 DBADRM C[C@@H](CC(=O)[O-])S(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1 ZINC001592420850 1016663480 /nfs/dbraw/zinc/66/34/80/1016663480.db2.gz ITPGPNDIZXYNMK-ONGXEEELSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001592453276 1016673223 /nfs/dbraw/zinc/67/32/23/1016673223.db2.gz TTZOZIICMQRKOK-SFYZADRCSA-N -1 0 309.326 -0.975 20 0 DBADRM CC(C)CC(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001436693507 1002751793 /nfs/dbraw/zinc/75/17/93/1002751793.db2.gz BCLWDOVFBUJJIP-UHFFFAOYSA-N -1 0 310.402 -0.210 20 0 DBADRM Cc1nn(CC(=O)c2ccnn2C)c(=O)c(-c2nnn[n-]2)c1C ZINC001592436653 1016667434 /nfs/dbraw/zinc/66/74/34/1016667434.db2.gz XWPNHNVBJNIFTJ-UHFFFAOYSA-N -1 0 314.309 -0.343 20 0 DBADRM Cc1nn(CC(=O)[C@@H]2CCOC2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592435948 1016667756 /nfs/dbraw/zinc/66/77/56/1016667756.db2.gz IMIDXHBPQGBNFL-SECBINFHSA-N -1 0 304.310 -0.354 20 0 DBADRM CSCCC(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415226641 1002759704 /nfs/dbraw/zinc/75/97/04/1002759704.db2.gz VLKXRHNGFBAVLC-LURJTMIESA-N -1 0 315.355 -0.730 20 0 DBADRM Cc1nn(C[C@@H](O)CC(C)(C)O)c(=O)c(-c2nnn[n-]2)c1C ZINC001592436615 1016668590 /nfs/dbraw/zinc/66/85/90/1016668590.db2.gz WGFWRMOXXYAOCK-VIFPVBQESA-N -1 0 308.342 -0.438 20 0 DBADRM Cc1nn(CCN2CCCC2=O)c(=O)c(-c2nnn[n-]2)c1C ZINC001592437644 1016669606 /nfs/dbraw/zinc/66/96/06/1016669606.db2.gz WHKNQRDZJGJHRP-UHFFFAOYSA-N -1 0 303.326 -0.337 20 0 DBADRM Cc1nn(C[C@H]2CCCN(C)C2=O)c(=O)c(-c2nnn[n-]2)c1C ZINC001592436386 1016669659 /nfs/dbraw/zinc/66/96/59/1016669659.db2.gz PBZNHWPMSGGZRT-SNVBAGLBSA-N -1 0 317.353 -0.091 20 0 DBADRM CC(C)CC(=O)N[C@@H](C)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001426395404 1002786337 /nfs/dbraw/zinc/78/63/37/1002786337.db2.gz DHTAJEJYMGLKPP-IUCAKERBSA-N -1 0 313.358 -0.255 20 0 DBADRM Cc1noc(CN(C)Cn2cccc(-c3nnn[n-]3)c2=O)n1 ZINC001592461798 1016672969 /nfs/dbraw/zinc/67/29/69/1016672969.db2.gz APGFPLBYRGDVRA-UHFFFAOYSA-N -1 0 302.298 -0.191 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001592453695 1016674228 /nfs/dbraw/zinc/67/42/28/1016674228.db2.gz XIJSVMJNGQYXOR-LURJTMIESA-N -1 0 311.269 -0.158 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2cn(C)nn2)c1[O-] ZINC001426445451 1002804313 /nfs/dbraw/zinc/80/43/13/1002804313.db2.gz ZCZNUUNXIAIOMX-BQBZGAKWSA-N -1 0 321.341 -0.511 20 0 DBADRM C[C@@H](NC(=O)CCCF)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001426466371 1002806350 /nfs/dbraw/zinc/80/63/50/1002806350.db2.gz FCLNITPYXMQWSA-RQJHMYQMSA-N -1 0 315.305 -0.345 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)NC(=O)CCCF ZINC001426466364 1002806958 /nfs/dbraw/zinc/80/69/58/1002806958.db2.gz FCLNITPYXMQWSA-NKWVEPMBSA-N -1 0 315.305 -0.345 20 0 DBADRM C[C@](CCF)(NC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001592495653 1016677277 /nfs/dbraw/zinc/67/72/77/1016677277.db2.gz OFPKUQBLLCFDMB-GFCCVEGCSA-N -1 0 324.374 -0.023 20 0 DBADRM C[C@@](CCF)(NC(=O)CCC(=O)N1CCOCC1)C(=O)[O-] ZINC001592496595 1016678043 /nfs/dbraw/zinc/67/80/43/1016678043.db2.gz WKMAMCHXWDNHGE-ZDUSSCGKSA-N -1 0 304.318 -0.056 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CCNC(=O)Cn2ccnc2)c1[O-] ZINC001415403004 1002826778 /nfs/dbraw/zinc/82/67/78/1002826778.db2.gz SZWYBZLWSYHBHI-SECBINFHSA-N -1 0 320.353 -0.055 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H](C)C1CC1 ZINC001415412538 1002829133 /nfs/dbraw/zinc/82/91/33/1002829133.db2.gz MNPDEYWOGFKSOQ-HTQZYQBOSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@@H](CCNC(=O)C1(C(N)=O)CC1)Nc1ncc(C(=O)[O-])cn1 ZINC001592513454 1016680573 /nfs/dbraw/zinc/68/05/73/1016680573.db2.gz PVFBJBSEDPJSLD-QMMMGPOBSA-N -1 0 321.337 -0.253 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)CN2CCCC2=O)c1[O-] ZINC001415441581 1002834135 /nfs/dbraw/zinc/83/41/35/1002834135.db2.gz FFQRZUBCSOWHBP-UHFFFAOYSA-N -1 0 323.353 -0.766 20 0 DBADRM C[C@H](CCNC(=O)[C@@H](C)CC(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592512628 1016682933 /nfs/dbraw/zinc/68/29/33/1016682933.db2.gz AJDGCUXHEJMHCH-DTWKUNHWSA-N -1 0 323.353 -0.007 20 0 DBADRM C[C@@](CCF)(NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001592506857 1016683050 /nfs/dbraw/zinc/68/30/50/1016683050.db2.gz GPMLFSUDDOIRID-SKDRFNHKSA-N -1 0 322.358 -0.128 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)c1cnon1 ZINC001592529557 1016684338 /nfs/dbraw/zinc/68/43/38/1016684338.db2.gz CJEYMLVAWOQGQG-SSDOTTSWSA-N -1 0 306.282 -0.400 20 0 DBADRM Cc1nc(CN[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)cs1 ZINC001437164778 1002872381 /nfs/dbraw/zinc/87/23/81/1002872381.db2.gz IHHQRFKQVWBOQC-LURJTMIESA-N -1 0 324.366 -0.044 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2CCCSC2)c(-c2nnn[n-]2)c1=O ZINC001592546332 1016687881 /nfs/dbraw/zinc/68/78/81/1016687881.db2.gz NAAZUQVIQOWHOW-ZCFIWIBFSA-N -1 0 309.355 -0.027 20 0 DBADRM C[C@H](CC[S@](C)=O)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001592538123 1016688421 /nfs/dbraw/zinc/68/84/21/1016688421.db2.gz QKTYTJGDGGTMCR-BTKVJGODSA-N -1 0 314.363 -0.180 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H]1CCOC1 ZINC001592531496 1016688600 /nfs/dbraw/zinc/68/86/00/1016688600.db2.gz XXSIWBWEHYDBGA-VHSXEESVSA-N -1 0 308.338 -0.060 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)cn(CC(=O)OC(C)(C)C)c1=O ZINC001592545454 1016689166 /nfs/dbraw/zinc/68/91/66/1016689166.db2.gz XTNVTOZNNRKYJY-UHFFFAOYSA-N -1 0 308.298 -0.931 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@H]2CCC=CO2)c(-c2nnn[n-]2)c1=O ZINC001592546352 1016689264 /nfs/dbraw/zinc/68/92/64/1016689264.db2.gz NUFGJXMYPNHVGB-SSDOTTSWSA-N -1 0 305.298 -0.229 20 0 DBADRM C[C@@H](CC[S@](C)=O)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001592538125 1016689585 /nfs/dbraw/zinc/68/95/85/1016689585.db2.gz QKTYTJGDGGTMCR-FPVGNUTFSA-N -1 0 314.363 -0.180 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001592537467 1016690424 /nfs/dbraw/zinc/69/04/24/1016690424.db2.gz NHSOIEVEGCKWCH-HLTSFMKQSA-N -1 0 313.397 -0.408 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@H]2CCSC2)n(C)c1=O ZINC001592555389 1016695462 /nfs/dbraw/zinc/69/54/62/1016695462.db2.gz IVOYSMMCKVMVHT-SSDOTTSWSA-N -1 0 323.382 -0.571 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2COC(C)(C)C2)n(C)c1=O ZINC001592554808 1016697001 /nfs/dbraw/zinc/69/70/01/1016697001.db2.gz ADAVAGAGDNEOJT-SSDOTTSWSA-N -1 0 321.341 -0.757 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC2(C)CC=CC2)n(C)c1=O ZINC001592554924 1016697242 /nfs/dbraw/zinc/69/72/42/1016697242.db2.gz CFLILRSFZCUXJD-UHFFFAOYSA-N -1 0 303.326 -0.215 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2CCC(C)(C)CO2)c1=O ZINC001592557735 1016697379 /nfs/dbraw/zinc/69/73/79/1016697379.db2.gz FODVOZXLPFHWPK-VIFPVBQESA-N -1 0 320.353 -0.068 20 0 DBADRM Cn1c(Cn2cnc(-c3nnn[n-]3)n2)nnc1N1CCCC1 ZINC001592554311 1016697436 /nfs/dbraw/zinc/69/74/36/1016697436.db2.gz ZGZAQVPGTIIGGF-UHFFFAOYSA-N -1 0 301.318 -0.765 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@H]2C[C@H]2C2CC2)n(C)c1=O ZINC001592555760 1016697558 /nfs/dbraw/zinc/69/75/58/1016697558.db2.gz TYNNPEQVXDHXQO-IUCAKERBSA-N -1 0 317.353 -0.278 20 0 DBADRM CCCC(=O)N[C@H]1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001426884882 1002944059 /nfs/dbraw/zinc/94/40/59/1002944059.db2.gz BBDBMNKWCFTTBP-DTORHVGOSA-N -1 0 311.342 -0.500 20 0 DBADRM Cn1cc(-c2nn[nH]n2)cc1C(=O)[N-]S(=O)(=O)C1(C)CC1 ZINC001592561547 1016700228 /nfs/dbraw/zinc/70/02/28/1016700228.db2.gz KMXHHBDIYHBOFA-UHFFFAOYSA-N -1 0 310.339 -0.183 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@H]1C[C@H]1C ZINC001415701019 1002962514 /nfs/dbraw/zinc/96/25/14/1002962514.db2.gz FNFPQVQUUAAJNH-SFYZADRCSA-N -1 0 309.326 -0.483 20 0 DBADRM CC[C@@H](F)C(=O)N(CC)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415697950 1002966124 /nfs/dbraw/zinc/96/61/24/1002966124.db2.gz FCZSVZMOWTZETF-MRVPVSSYSA-N -1 0 317.321 -0.598 20 0 DBADRM CC(=O)N1CCCCC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001426991178 1002982034 /nfs/dbraw/zinc/98/20/34/1002982034.db2.gz KDGRICNUCZIRQS-JTQLQIEISA-N -1 0 311.342 -0.403 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1CCNC1=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592569068 1016705047 /nfs/dbraw/zinc/70/50/47/1016705047.db2.gz BTOVNOLKQCEHQW-PSASIEDQSA-N -1 0 321.337 -0.430 20 0 DBADRM Cn1cc(CSc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)cn1 ZINC001592572573 1016706367 /nfs/dbraw/zinc/70/63/67/1016706367.db2.gz DJMCWMNOJHUNET-UHFFFAOYSA-N -1 0 320.338 -0.721 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1cncn1)Nc1ncc(C(=O)[O-])cn1 ZINC001592574621 1016707994 /nfs/dbraw/zinc/70/79/94/1016707994.db2.gz LZTKFBSOBBXCLR-SECBINFHSA-N -1 0 319.325 -0.275 20 0 DBADRM Cn1ccc([N-]S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)n1 ZINC001592580622 1016711079 /nfs/dbraw/zinc/71/10/79/1016711079.db2.gz SPMRQYZYAOOTGZ-UHFFFAOYSA-N -1 0 306.311 -0.204 20 0 DBADRM C[C@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)Cc1nc[nH]n1 ZINC001592588592 1016711958 /nfs/dbraw/zinc/71/19/58/1016711958.db2.gz MWDHGXZFHUYRTH-MRVPVSSYSA-N -1 0 319.325 -0.524 20 0 DBADRM C[C@@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)c1cn(C)nn1 ZINC001592588568 1016712513 /nfs/dbraw/zinc/71/25/13/1016712513.db2.gz LIAZSYLVGVZABT-QMMMGPOBSA-N -1 0 319.325 -0.442 20 0 DBADRM CN(CCNC(=O)COc1cccnc1)Cc1n[nH]c(=O)[n-]1 ZINC001437540162 1003060653 /nfs/dbraw/zinc/06/06/53/1003060653.db2.gz XMSNHSJNRBRZNH-UHFFFAOYSA-N -1 0 306.326 -0.468 20 0 DBADRM C[C@@H](CC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1)n1cccn1 ZINC001437544576 1003062695 /nfs/dbraw/zinc/06/26/95/1003062695.db2.gz ZEBOGSZHCLSHKK-JTQLQIEISA-N -1 0 307.358 -0.094 20 0 DBADRM CCN(CCNC(=O)c1ccnn1CC)Cc1n[nH]c(=O)[n-]1 ZINC001437588230 1003079854 /nfs/dbraw/zinc/07/98/54/1003079854.db2.gz CCFQTLZKYMLPGB-UHFFFAOYSA-N -1 0 307.358 -0.021 20 0 DBADRM CCN(CCNC(=O)c1ccnc(OC)n1)Cc1n[nH]c(=O)[n-]1 ZINC001437611018 1003091063 /nfs/dbraw/zinc/09/10/63/1003091063.db2.gz MIVMKMDKYITOTF-UHFFFAOYSA-N -1 0 321.341 -0.439 20 0 DBADRM CCN(CCNC(=O)CCc1cncn1C)Cc1n[nH]c(=O)[n-]1 ZINC001437641020 1003106264 /nfs/dbraw/zinc/10/62/64/1003106264.db2.gz IPTATZAZMMPDDV-UHFFFAOYSA-N -1 0 321.385 -0.185 20 0 DBADRM CCC1(C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CCC1 ZINC001416036475 1003109585 /nfs/dbraw/zinc/10/95/85/1003109585.db2.gz LUEGRSVZDQUBGC-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM CC(=O)NC[C@@H](C1CC1)N(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001427413251 1003110132 /nfs/dbraw/zinc/11/01/32/1003110132.db2.gz PKKXJGXTMQAWFH-NSHDSACASA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@@H](CN1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)CS(C)(=O)=O ZINC001592610155 1016726920 /nfs/dbraw/zinc/72/69/20/1016726920.db2.gz DOWHUQYNVCNVOY-VHSXEESVSA-N -1 0 316.383 -0.096 20 0 DBADRM COCC(=O)NCC1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001416060630 1003135768 /nfs/dbraw/zinc/13/57/68/1003135768.db2.gz IOADKESJAUPUPV-UHFFFAOYSA-N -1 0 320.305 -0.237 20 0 DBADRM C[C@H](CN1CCOCC1)NS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001592624393 1016729910 /nfs/dbraw/zinc/72/99/10/1016729910.db2.gz IKGSMAGZHRHTNH-LLVKDONJSA-N -1 0 320.411 -0.119 20 0 DBADRM Cc1cc(CC(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001437700910 1003150176 /nfs/dbraw/zinc/15/01/76/1003150176.db2.gz OXAYTGAOBIKCPU-SNVBAGLBSA-N -1 0 320.353 -0.012 20 0 DBADRM Cc1cc(CC(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001437700908 1003152422 /nfs/dbraw/zinc/15/24/22/1003152422.db2.gz OXAYTGAOBIKCPU-JTQLQIEISA-N -1 0 320.353 -0.012 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001437712364 1003166429 /nfs/dbraw/zinc/16/64/29/1003166429.db2.gz NMGQLNGJBRUTJR-NXEZZACHSA-N -1 0 324.385 -0.637 20 0 DBADRM C[C@H](CN1CCOCC1)N(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001592625411 1016730978 /nfs/dbraw/zinc/73/09/78/1016730978.db2.gz YDTSMDCUFCKHKK-LLVKDONJSA-N -1 0 323.415 -0.710 20 0 DBADRM C[C@](CNC(=O)[C@H](CO)NC(N)=O)(C(=O)[O-])c1ccccc1 ZINC001592636448 1016733059 /nfs/dbraw/zinc/73/30/59/1016733059.db2.gz WEWXJJAZSRCWPE-IINYFYTJSA-N -1 0 309.322 -0.826 20 0 DBADRM CCCN(CCNC(=O)Cc1cnn(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001437739491 1003183514 /nfs/dbraw/zinc/18/35/14/1003183514.db2.gz WCXMRJCDVIKBKN-UHFFFAOYSA-N -1 0 321.385 -0.185 20 0 DBADRM CCn1ccnc1C(=O)N(C)C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001427538339 1003186174 /nfs/dbraw/zinc/18/61/74/1003186174.db2.gz OQBCXRLONWSSKQ-VIFPVBQESA-N -1 0 305.342 -0.088 20 0 DBADRM C[C@@H](CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)S(C)(=O)=O ZINC001592650581 1016734514 /nfs/dbraw/zinc/73/45/14/1016734514.db2.gz JBTCJAZDGVAAIK-LPEHRKFASA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)CNc1ncc(C(=O)[O-])cn1 ZINC001592647245 1016734598 /nfs/dbraw/zinc/73/45/98/1016734598.db2.gz CCNRNVGNNJXIGG-CBAPKCEASA-N -1 0 322.325 -0.980 20 0 DBADRM CCCN(CCNC(=O)Cc1ncc[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001437760489 1003196274 /nfs/dbraw/zinc/19/62/74/1003196274.db2.gz AUGIJIPYLCYJER-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM C[C@H](CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)S(N)(=O)=O ZINC001592640128 1016735133 /nfs/dbraw/zinc/73/51/33/1016735133.db2.gz CISATORMPRQTLH-MRVPVSSYSA-N -1 0 304.368 -0.185 20 0 DBADRM C[C@H](CNC(=O)[C@H](C)n1cncn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592636566 1016735208 /nfs/dbraw/zinc/73/52/08/1016735208.db2.gz ZOLIVEWHXVRYQX-BDAKNGLRSA-N -1 0 319.325 -0.634 20 0 DBADRM C[C@H](CNC(=O)Cc1ccon1)CNc1ccnc(C(=O)[O-])n1 ZINC001592653640 1016736528 /nfs/dbraw/zinc/73/65/28/1016736528.db2.gz JVJTZFWOHNTYDV-VIFPVBQESA-N -1 0 319.321 -0.008 20 0 DBADRM C[C@@H](CNC(=O)CNC(=O)C1CC1)Nc1ncc(C(=O)[O-])cn1 ZINC001592654472 1016736849 /nfs/dbraw/zinc/73/68/49/1016736849.db2.gz WNJWFFNMFVWIAP-QMMMGPOBSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@H](CNC(=O)CNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC001592654497 1016738396 /nfs/dbraw/zinc/73/83/96/1016738396.db2.gz XUZXSDJULYDORB-MRVPVSSYSA-N -1 0 301.324 -0.803 20 0 DBADRM C[C@@H](CNC(=O)NCCn1cc(C(=O)[O-])nn1)Cn1cccn1 ZINC001592673090 1016743301 /nfs/dbraw/zinc/74/33/01/1016743301.db2.gz SDMVNEHVQKQGDU-JTQLQIEISA-N -1 0 321.341 -0.192 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(C)F ZINC001427632954 1003237626 /nfs/dbraw/zinc/23/76/26/1003237626.db2.gz OIHHYGSCKIVCLL-ZCFIWIBFSA-N -1 0 315.305 -0.392 20 0 DBADRM CCCCC(=O)N[C@H](C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001427650825 1003242810 /nfs/dbraw/zinc/24/28/10/1003242810.db2.gz YEYHRNGWDQGTEI-SECBINFHSA-N -1 0 313.358 -0.157 20 0 DBADRM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)CNc1ccnc(C(=O)[O-])n1 ZINC001592688500 1016748412 /nfs/dbraw/zinc/74/84/12/1016748412.db2.gz BZVXBRUWFXAIJV-YHAQOWFVSA-N -1 0 320.349 -0.203 20 0 DBADRM C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)Nc1ncc(C(=O)[O-])cn1 ZINC001592700884 1016748686 /nfs/dbraw/zinc/74/86/86/1016748686.db2.gz AQPCGBFLVKEJPK-ZETCQYMHSA-N -1 0 318.293 -0.099 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)Cn2cncn2)c1[O-] ZINC001427704859 1003275341 /nfs/dbraw/zinc/27/53/41/1003275341.db2.gz BTGDTHFBHNADNL-QMMMGPOBSA-N -1 0 321.341 -0.708 20 0 DBADRM CCCN(C(=O)c1n[nH]c(C)c1[O-])[C@H]1CCN(CC(N)=O)C1 ZINC001437893437 1003278448 /nfs/dbraw/zinc/27/84/48/1003278448.db2.gz SQUNORZUQAEDKD-JTQLQIEISA-N -1 0 309.370 -0.164 20 0 DBADRM C[C@@H](CNC(=O)c1cnon1)CNc1ccnc(C(=O)[O-])n1 ZINC001592706634 1016751808 /nfs/dbraw/zinc/75/18/08/1016751808.db2.gz QZLIABOLNAWVED-SSDOTTSWSA-N -1 0 306.282 -0.542 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438030271 1003322751 /nfs/dbraw/zinc/32/27/51/1003322751.db2.gz KDBZGIJQQWRDNW-UWVGGRQHSA-N -1 0 324.385 -0.494 20 0 DBADRM C[C@@H](CNC(=O)c1cn(C)nn1)N(C)c1ncc(C(=O)[O-])cn1 ZINC001592702087 1016753601 /nfs/dbraw/zinc/75/36/01/1016753601.db2.gz VHFMTZIQXGSUDQ-QMMMGPOBSA-N -1 0 319.325 -0.442 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438112976 1003352096 /nfs/dbraw/zinc/35/20/96/1003352096.db2.gz KEHGFMFNKLFRJU-MRVPVSSYSA-N -1 0 309.326 -0.989 20 0 DBADRM C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])nc1)S(C)(=O)=O ZINC001592723787 1016765358 /nfs/dbraw/zinc/76/53/58/1016765358.db2.gz WLGPIRJTNBQHKA-SSDOTTSWSA-N -1 0 322.364 -0.509 20 0 DBADRM CN(C(=O)CC1(O)CCC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438241499 1003394326 /nfs/dbraw/zinc/39/43/26/1003394326.db2.gz FUCQAIJUTXQEFK-JTQLQIEISA-N -1 0 309.370 -0.152 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])nc1)S(C)(=O)=O ZINC001592723788 1016769214 /nfs/dbraw/zinc/76/92/14/1016769214.db2.gz WLGPIRJTNBQHKA-ZETCQYMHSA-N -1 0 322.364 -0.509 20 0 DBADRM C[C@H](NC(N)=O)C(=O)N(C)[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001592728557 1016770054 /nfs/dbraw/zinc/77/00/54/1016770054.db2.gz HRMXHLMZVBFWKY-YUMQZZPRSA-N -1 0 324.341 -0.510 20 0 DBADRM C[C@@](CNc1ncc(C(=O)[O-])cn1)(NC(=O)C(N)=O)C1CC1 ZINC001592729025 1016770184 /nfs/dbraw/zinc/77/01/84/1016770184.db2.gz JYNPKQPLCLKIDR-ZDUSSCGKSA-N -1 0 307.310 -0.643 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1cccnn1 ZINC001592728606 1016771571 /nfs/dbraw/zinc/77/15/71/1016771571.db2.gz FAMHGCLJXNXUKB-VIFPVBQESA-N -1 0 316.321 -0.041 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC001416749560 1003455027 /nfs/dbraw/zinc/45/50/27/1003455027.db2.gz OBTJOVDVYLPYPX-ZDCRXTMVSA-N -1 0 322.365 -0.323 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001592730484 1016775823 /nfs/dbraw/zinc/77/58/23/1016775823.db2.gz WIKLHIPKQANRDT-WPRPVWTQSA-N -1 0 321.337 -0.288 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)Cc1nnc[nH]1 ZINC001592729676 1016775930 /nfs/dbraw/zinc/77/59/30/1016775930.db2.gz OWZSXCCTKICNGN-QMMMGPOBSA-N -1 0 319.325 -0.784 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)C1(C(N)=O)CC1 ZINC001592729718 1016776519 /nfs/dbraw/zinc/77/65/19/1016776519.db2.gz PPMQYBYSFUFXDY-MRVPVSSYSA-N -1 0 321.337 -0.879 20 0 DBADRM CC(CO)(CO)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001592734014 1016778895 /nfs/dbraw/zinc/77/88/95/1016778895.db2.gz NZRFAPMDZLRIPJ-UHFFFAOYSA-N -1 0 310.306 -0.888 20 0 DBADRM NC(=O)[C@]12CCC[C@H]1CN(c1ccnc(-c3nnn[n-]3)n1)C2 ZINC001592734711 1016780835 /nfs/dbraw/zinc/78/08/35/1016780835.db2.gz OKZMEEFSQNJFDA-SDBXPKJASA-N -1 0 300.326 -0.252 20 0 DBADRM C[C@](CO)(NC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)[O-] ZINC001592742559 1016784805 /nfs/dbraw/zinc/78/48/05/1016784805.db2.gz PNDHDVDNYNMITM-IINYFYTJSA-N -1 0 308.290 -0.272 20 0 DBADRM C[C@](CO)(NC(=O)C1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC001592741604 1016785503 /nfs/dbraw/zinc/78/55/03/1016785503.db2.gz IEVLCCGBTSFBHM-CQSZACIVSA-N -1 0 308.338 -0.355 20 0 DBADRM C[C@@](CO)(NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-] ZINC001592738668 1016785633 /nfs/dbraw/zinc/78/56/33/1016785633.db2.gz FMWYYISVDPKHCJ-JHEQGTHGSA-N -1 0 301.217 -0.716 20 0 DBADRM C[C@](CO)(NC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)[O-] ZINC001592742560 1016786050 /nfs/dbraw/zinc/78/60/50/1016786050.db2.gz PNDHDVDNYNMITM-QMTHXVAHSA-N -1 0 308.290 -0.272 20 0 DBADRM C[C@@](CO)(NC(=O)c1cccc(Cn2ccnn2)c1)C(=O)[O-] ZINC001592744097 1016786936 /nfs/dbraw/zinc/78/69/36/1016786936.db2.gz HTHLHZAIUZNJIZ-AWEZNQCLSA-N -1 0 304.306 -0.108 20 0 DBADRM C[C@@](CO)(NC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC001592744398 1016789055 /nfs/dbraw/zinc/78/90/55/1016789055.db2.gz YNHWWSNLFAUMMS-HNNXBMFYSA-N -1 0 320.301 -0.376 20 0 DBADRM C[C@@](CO)(NC(=O)CN1C(=O)COc2ccccc21)C(=O)[O-] ZINC001592744546 1016790125 /nfs/dbraw/zinc/79/01/25/1016790125.db2.gz ZLTUETDMBIKRCF-AWEZNQCLSA-N -1 0 308.290 -0.636 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)CCOCc1ccccc1)C(=O)[O-] ZINC001592751216 1016791752 /nfs/dbraw/zinc/79/17/52/1016791752.db2.gz UASLADZMTVPVQZ-ZDUSSCGKSA-N -1 0 317.363 -0.042 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1cccc2c1OCC2)C(=O)[O-] ZINC001592755326 1016795233 /nfs/dbraw/zinc/79/52/33/1016795233.db2.gz DQZFUIKRSINKOW-LBPRGKRZSA-N -1 0 301.320 -0.265 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1ccnn1CC1CCC1)C(=O)[O-] ZINC001592755492 1016795678 /nfs/dbraw/zinc/79/56/78/1016795678.db2.gz IVOUSGCTKKBVDX-GFCCVEGCSA-N -1 0 317.367 -0.203 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N[C@](C)(CO)C(=O)[O-] ZINC001592756213 1016795819 /nfs/dbraw/zinc/79/58/19/1016795819.db2.gz SYNKVIBDNHLEPC-DYBLOJMWSA-N -1 0 316.401 -0.447 20 0 DBADRM Nc1ccc(F)cc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592759773 1016796069 /nfs/dbraw/zinc/79/60/69/1016796069.db2.gz WZTOSMVDFHTWMV-UHFFFAOYSA-N -1 0 317.288 -0.391 20 0 DBADRM C[C@H](CS(=O)(=O)NC[C@H](CO)Cc1cccnc1)C(=O)[O-] ZINC001592807382 1016804605 /nfs/dbraw/zinc/80/46/05/1016804605.db2.gz DWJBUQSBARAPSI-ZYHUDNBSSA-N -1 0 316.379 -0.127 20 0 DBADRM C[C@@H](CS(=O)(=O)N(C)[C@@H](C)CN1CCOCC1)C(=O)[O-] ZINC001592788192 1016800283 /nfs/dbraw/zinc/80/02/83/1016800283.db2.gz PNQOACQPVAQIIK-QWRGUYRKSA-N -1 0 308.400 -0.311 20 0 DBADRM C[C@@H](COC(=O)Cn1cc(C(=O)[O-])nn1)CS(C)(=O)=O ZINC001592763484 1016800646 /nfs/dbraw/zinc/80/06/46/1016800646.db2.gz GHJXIGWKPHPXHB-ZETCQYMHSA-N -1 0 305.312 -0.800 20 0 DBADRM C[C@H](CS(=O)(=O)N(C)[C@@H](C)CN1CCOCC1)C(=O)[O-] ZINC001592788190 1016800885 /nfs/dbraw/zinc/80/08/85/1016800885.db2.gz PNQOACQPVAQIIK-MNOVXSKESA-N -1 0 308.400 -0.311 20 0 DBADRM C[C@@H](CO)NC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001592761372 1016801083 /nfs/dbraw/zinc/80/10/83/1016801083.db2.gz AIYHWIAHXCOEEF-LURJTMIESA-N -1 0 310.262 -0.451 20 0 DBADRM C[C@H](CS(=O)(=O)Cc1nc(N)nc(N(C)C)n1)C(=O)[O-] ZINC001592788238 1016801113 /nfs/dbraw/zinc/80/11/13/1016801113.db2.gz QCDPJUNGFMEKAW-ZCFIWIBFSA-N -1 0 303.344 -0.845 20 0 DBADRM CCn1ncc(C(=O)N[C@@H](C)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001416891214 1003636737 /nfs/dbraw/zinc/63/67/37/1003636737.db2.gz JVAIWVPYSKBVFA-ZETCQYMHSA-N -1 0 321.341 -0.417 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@@H](N2CCCC2=O)C1)C(=O)[O-] ZINC001592798055 1016802418 /nfs/dbraw/zinc/80/24/18/1016802418.db2.gz JVEUVMILSABGMW-NXEZZACHSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC(F)(F)[C@@H](CO)C1)C(=O)[O-] ZINC001592798100 1016802608 /nfs/dbraw/zinc/80/26/08/1016802608.db2.gz KPWHOBQWEDUQKA-JGVFFNPUSA-N -1 0 301.311 -0.014 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[C@H](N2CCOCC2)C1)C(=O)[O-] ZINC001592798927 1016802888 /nfs/dbraw/zinc/80/28/88/1016802888.db2.gz RUIMMJXLCMYCMN-RYUDHWBXSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@@H](C)N(CCO)C[C@H]1C)C(=O)[O-] ZINC001592789124 1016803155 /nfs/dbraw/zinc/80/31/55/1016803155.db2.gz DREARHNHLMOBBL-GMTAPVOTSA-N -1 0 308.400 -0.576 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCO[C@]2(CCCOC2)C1)C(=O)[O-] ZINC001592799500 1016804793 /nfs/dbraw/zinc/80/47/93/1016804793.db2.gz DNCILOXRTZBSNR-ZYHUDNBSSA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@H](CS(=O)(=O)NC1CN(c2ccncn2)C1)C(=O)[O-] ZINC001592806744 1016803702 /nfs/dbraw/zinc/80/37/02/1016803702.db2.gz ITKOLBLJXIZBHI-MRVPVSSYSA-N -1 0 300.340 -0.695 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN(C)CCN(C)CC1)C(=O)[O-] ZINC001592799437 1016803775 /nfs/dbraw/zinc/80/37/75/1016803775.db2.gz CCADZRYSTZIREN-LLVKDONJSA-N -1 0 307.416 -0.784 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCCN(C(=O)C2CC2)CC1)C(=O)[O-] ZINC001592799775 1016804231 /nfs/dbraw/zinc/80/42/31/1016804231.db2.gz ZPKOKVPNAJSXAK-SNVBAGLBSA-N -1 0 318.395 -0.019 20 0 DBADRM CC(C)S(=O)(=O)CCNS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001592807907 1016804343 /nfs/dbraw/zinc/80/43/43/1016804343.db2.gz IHVGFIANEPINBM-QMMMGPOBSA-N -1 0 301.386 -0.550 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001592815553 1016805765 /nfs/dbraw/zinc/80/57/65/1016805765.db2.gz JFAUGTSCZLDJMG-QMMMGPOBSA-N -1 0 313.397 -0.312 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@@H]1CCN(CC(F)F)C1)C(=O)[O-] ZINC001592809636 1016805902 /nfs/dbraw/zinc/80/59/02/1016805902.db2.gz XVGCPRMFFKRMGQ-JGVFFNPUSA-N -1 0 300.327 -0.034 20 0 DBADRM C[C@H](CS(=O)(=O)NCc1noc2c1COCC2)C(=O)[O-] ZINC001592815360 1016806043 /nfs/dbraw/zinc/80/60/43/1016806043.db2.gz HKYIMCVXIDEBIL-SSDOTTSWSA-N -1 0 304.324 -0.113 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001592813528 1016806114 /nfs/dbraw/zinc/80/61/14/1016806114.db2.gz BGMIVNOYAUBKHK-SNVBAGLBSA-N -1 0 320.411 -0.326 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@@H](C[NH+]1CCCCC1)C(=O)[O-])C(=O)[O-] ZINC001592809832 1016806706 /nfs/dbraw/zinc/80/67/06/1016806706.db2.gz ZBHODSDJTZVPHW-ZJUUUORDSA-N -1 0 322.383 -0.434 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001592836419 1016807705 /nfs/dbraw/zinc/80/77/05/1016807705.db2.gz ADLVTTQHGLXZRO-UHFFFAOYSA-N -1 0 318.297 -0.543 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)CCc1ocnc1C(=O)[O-] ZINC001592816633 1016807911 /nfs/dbraw/zinc/80/79/11/1016807911.db2.gz YFJGOJUYAKZZCY-ZETCQYMHSA-N -1 0 304.324 -0.145 20 0 DBADRM O=C(C[C@H]1CCCOC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592823316 1016808093 /nfs/dbraw/zinc/80/80/93/1016808093.db2.gz AKFSQAPZEIKDRR-SECBINFHSA-N -1 0 306.330 -0.609 20 0 DBADRM O=C(C[C@H]1CCOC1)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001592826392 1016808114 /nfs/dbraw/zinc/80/81/14/1016808114.db2.gz YLTREQCWUUGHBC-SECBINFHSA-N -1 0 318.341 -0.967 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001592822423 1016808882 /nfs/dbraw/zinc/80/88/82/1016808882.db2.gz MFRUSZYWHRUYLD-UQGZZDPPSA-N -1 0 318.395 -0.114 20 0 DBADRM CC(C)[C@H](C)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001416923997 1003690353 /nfs/dbraw/zinc/69/03/53/1003690353.db2.gz ZINUUVUSOVMMJA-YUMQZZPRSA-N -1 0 311.342 -0.191 20 0 DBADRM O=C(CO)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC001592878414 1016813483 /nfs/dbraw/zinc/81/34/83/1016813483.db2.gz AXTQHHRCPPWPMW-UHFFFAOYSA-N -1 0 319.325 -0.627 20 0 DBADRM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001592909581 1016814878 /nfs/dbraw/zinc/81/48/78/1016814878.db2.gz ZSXWCSLHKZDIPC-MWLCHTKSSA-N -1 0 311.338 -0.069 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@@H]1c1cc[nH]n1 ZINC001592940288 1016821232 /nfs/dbraw/zinc/82/12/32/1016821232.db2.gz XNKDNKUPBOOLJG-SECBINFHSA-N -1 0 314.313 -0.455 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cnn(CCF)c1 ZINC001592941173 1016821732 /nfs/dbraw/zinc/82/17/32/1016821732.db2.gz GQNZMAPYRJHSAA-UHFFFAOYSA-N -1 0 306.265 -0.737 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1cccc(CO)c1 ZINC001592941046 1016821781 /nfs/dbraw/zinc/82/17/81/1016821781.db2.gz QUDIGGCYCDYHRC-UHFFFAOYSA-N -1 0 314.309 -0.733 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCC1(CO)CCC1 ZINC001592941035 1016822275 /nfs/dbraw/zinc/82/22/75/1016822275.db2.gz QCJGSLIADFKASH-UHFFFAOYSA-N -1 0 306.330 -0.873 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)c1cccc(C(=O)[O-])n1)C(N)=O ZINC001592925109 1016816933 /nfs/dbraw/zinc/81/69/33/1016816933.db2.gz SBPNXSUTAUGBMV-CQSZACIVSA-N -1 0 317.305 -0.350 20 0 DBADRM CCO[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1)C1CC1 ZINC001428211605 1003756728 /nfs/dbraw/zinc/75/67/28/1003756728.db2.gz QKEBYTJHMOTISN-CKYFFXLPSA-N -1 0 307.354 -0.003 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001592931426 1016819057 /nfs/dbraw/zinc/81/90/57/1016819057.db2.gz MHSCGTIMDRRUOS-MWLCHTKSSA-N -1 0 323.353 -0.600 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1COC2(CCC2)C1 ZINC001592939713 1016819840 /nfs/dbraw/zinc/81/98/40/1016819840.db2.gz JHXOGRBPPDGLOQ-MRVPVSSYSA-N -1 0 304.314 -0.714 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)nn1)N1CCO[C@H]2CCCC[C@H]21 ZINC001592936217 1016819876 /nfs/dbraw/zinc/81/98/76/1016819876.db2.gz IQTQKGVUYACDBX-MNOVXSKESA-N -1 0 318.341 -0.372 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1CCC2(CCC2)O1 ZINC001592941108 1016820812 /nfs/dbraw/zinc/82/08/12/1016820812.db2.gz SNBJNAUIIQPXIG-VIFPVBQESA-N -1 0 318.341 -0.324 20 0 DBADRM C[C@@H](NC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1cnn(C)c1 ZINC001592972418 1016826988 /nfs/dbraw/zinc/82/69/88/1016826988.db2.gz WKEMZFNOWKLJAY-KKZNHRDASA-N -1 0 308.338 -0.081 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1C(=O)[C@@H]1CC12CC2 ZINC001417054825 1003804196 /nfs/dbraw/zinc/80/41/96/1003804196.db2.gz UBXLQAPQQOVVDK-BDAKNGLRSA-N -1 0 321.337 -0.794 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1nnc2n1CCC2 ZINC001592971345 1016827186 /nfs/dbraw/zinc/82/71/86/1016827186.db2.gz QUJUBBRLTICFSE-DTWKUNHWSA-N -1 0 321.337 -0.665 20 0 DBADRM C[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1nnnn1C1CC1 ZINC001592978690 1016827553 /nfs/dbraw/zinc/82/75/53/1016827553.db2.gz LBCZKSNWGXMXNE-BWZBUEFSSA-N -1 0 322.325 -0.835 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccnn1C ZINC001592970236 1016827725 /nfs/dbraw/zinc/82/77/25/1016827725.db2.gz DJPPVDFHKDBQOW-XPTSAGLGSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1cnn(C)c1 ZINC001592970312 1016827855 /nfs/dbraw/zinc/82/78/55/1016827855.db2.gz FHXYAYPIRCXEOU-GXSJLCMTSA-N -1 0 324.337 -0.701 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3cnns3)CC2)c1[O-] ZINC001417126924 1003826419 /nfs/dbraw/zinc/82/64/19/1003826419.db2.gz OYKGQPMOEFTFIE-UHFFFAOYSA-N -1 0 322.350 -0.032 20 0 DBADRM C[C@H](C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1)C1CC1 ZINC001417123981 1003826504 /nfs/dbraw/zinc/82/65/04/1003826504.db2.gz RAVQLORQUMFZQE-QMMMGPOBSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001593002391 1016828751 /nfs/dbraw/zinc/82/87/51/1016828751.db2.gz GSXVVOIAJRKHHH-KOLCDFICSA-N -1 0 323.353 -0.458 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cc2cc[nH]c2cn1 ZINC001592941837 1016824317 /nfs/dbraw/zinc/82/43/17/1016824317.db2.gz MSKMNZOONXWSKK-UHFFFAOYSA-N -1 0 310.281 -0.027 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2cnns2)c1[O-] ZINC001428521011 1003852394 /nfs/dbraw/zinc/85/23/94/1003852394.db2.gz DLWCYFZBQHYSQC-YFKPBYRVSA-N -1 0 310.339 -0.176 20 0 DBADRM C[C@@H](C[C@H](C)NC(=O)C(F)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001428526226 1003853870 /nfs/dbraw/zinc/85/38/70/1003853870.db2.gz CWFOHGWATWNVTO-WDSKDSINSA-N -1 0 321.284 -0.646 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@@H]2CCC(=O)NC2)c1[O-] ZINC001428576567 1003862161 /nfs/dbraw/zinc/86/21/61/1003862161.db2.gz HHLDAGKYZNAERE-VXNVDRBHSA-N -1 0 323.353 -0.816 20 0 DBADRM CC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001417421306 1003873573 /nfs/dbraw/zinc/87/35/73/1003873573.db2.gz GHNFZJIMWNANHR-AWEZNQCLSA-N -1 0 320.305 -0.359 20 0 DBADRM C[C@@H](NC(=O)CCNS(C)(=O)=O)c1ncc(C(=O)[O-])s1 ZINC001593019003 1016831381 /nfs/dbraw/zinc/83/13/81/1016831381.db2.gz FVHLSVOBUVTDBX-ZCFIWIBFSA-N -1 0 321.380 -0.042 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001417451546 1003883150 /nfs/dbraw/zinc/88/31/50/1003883150.db2.gz CWQMLXTVCXINPY-VIFPVBQESA-N -1 0 315.337 -0.448 20 0 DBADRM C[C@@H](C(=O)N(C)c1nnn[n-]1)S(=O)(=O)C1CCOCC1 ZINC001417565856 1003889631 /nfs/dbraw/zinc/88/96/31/1003889631.db2.gz CXQUPLDLRPTVSW-ZETCQYMHSA-N -1 0 303.344 -0.855 20 0 DBADRM Cn1cnnc1C1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001417608893 1003897656 /nfs/dbraw/zinc/89/76/56/1003897656.db2.gz UTLHHCMDFMXRKN-UHFFFAOYSA-N -1 0 307.314 -0.776 20 0 DBADRM COc1cc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001439321126 1003899980 /nfs/dbraw/zinc/89/99/80/1003899980.db2.gz BTYCRUWGQKLHAS-QMMMGPOBSA-N -1 0 321.341 -0.441 20 0 DBADRM C[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1cnn(C)c1 ZINC001593025637 1016834600 /nfs/dbraw/zinc/83/46/00/1016834600.db2.gz GMASJOPNBXTZCD-GXSJLCMTSA-N -1 0 308.338 -0.080 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001417633457 1003925241 /nfs/dbraw/zinc/92/52/41/1003925241.db2.gz GSQWCCUCMITBFP-CRCLSJGQSA-N -1 0 313.261 -0.961 20 0 DBADRM C[C@H](NC(=O)Cn1nnc(N)n1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593050219 1016835066 /nfs/dbraw/zinc/83/50/66/1016835066.db2.gz LCTJZTCECIFQPG-ONGXEEELSA-N -1 0 318.337 -0.297 20 0 DBADRM CCN1C[C@H](C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001439331306 1003927300 /nfs/dbraw/zinc/92/73/00/1003927300.db2.gz LWMQCAGIAIDDSR-VHSXEESVSA-N -1 0 324.385 -0.685 20 0 DBADRM C[C@](NC(=O)Cn1nc2n(c1=O)CCCC2)(C(=O)[O-])C1CC1 ZINC001593051498 1016835940 /nfs/dbraw/zinc/83/59/40/1016835940.db2.gz SWKWURNBLZXCLQ-CQSZACIVSA-N -1 0 308.338 -0.249 20 0 DBADRM CCC[C@@H](NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1)c1nnn[n-]1 ZINC001417662831 1003949006 /nfs/dbraw/zinc/94/90/06/1003949006.db2.gz ORAIVXCABOWGJE-SZEHBUNVSA-N -1 0 306.330 -0.242 20 0 DBADRM COC(=O)[C@]1(NC(=O)c2c[n-]n3c2nccc3=O)CCOC1 ZINC001417665594 1003950981 /nfs/dbraw/zinc/95/09/81/1003950981.db2.gz JKVGWUUVOMKAQD-ZDUSSCGKSA-N -1 0 306.278 -0.916 20 0 DBADRM O=C(NCCCNc1ccnc(-c2nnn[n-]2)n1)c1ccc[nH]1 ZINC001593076447 1016837682 /nfs/dbraw/zinc/83/76/82/1016837682.db2.gz QOYKXZZLKRJXLD-UHFFFAOYSA-N -1 0 313.325 -0.361 20 0 DBADRM O=C(NCCN1CCOCC1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001593085942 1016837775 /nfs/dbraw/zinc/83/77/75/1016837775.db2.gz ISMHARNURPUNLQ-UHFFFAOYSA-N -1 0 318.337 -0.366 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1cn(C)nn1 ZINC001439420692 1003984040 /nfs/dbraw/zinc/98/40/40/1003984040.db2.gz PEDCKBVKHFEALS-SECBINFHSA-N -1 0 322.373 -0.792 20 0 DBADRM CC(C)OC1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCC1 ZINC001417713466 1003993617 /nfs/dbraw/zinc/99/36/17/1003993617.db2.gz QXHNVVXCEMERQN-UHFFFAOYSA-N -1 0 306.384 -0.084 20 0 DBADRM CNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCc1nnn[n-]1 ZINC001417712317 1003994499 /nfs/dbraw/zinc/99/44/99/1003994499.db2.gz DVOWNXSASSAADB-GFCCVEGCSA-N -1 0 316.365 -0.004 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCCN(C(=O)CCc2nnn[n-]2)C1 ZINC001417730084 1004009790 /nfs/dbraw/zinc/00/97/90/1004009790.db2.gz FDVKFYHWPRYPDR-SECBINFHSA-N -1 0 301.372 -0.442 20 0 DBADRM C[C@@H](NC(=O)NCCOCC(=O)[O-])C(=O)NCc1ccco1 ZINC001593093551 1016841404 /nfs/dbraw/zinc/84/14/04/1016841404.db2.gz ARNIAODHUACFEC-SECBINFHSA-N -1 0 313.310 -0.315 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)NCCc3nc(=O)o[n-]3)nc2C1 ZINC001417729799 1004010444 /nfs/dbraw/zinc/01/04/44/1004010444.db2.gz AZZYQJPKVVWSBO-MRVPVSSYSA-N -1 0 307.310 -0.507 20 0 DBADRM O=C(NCCNCc1cnon1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001593088401 1016841189 /nfs/dbraw/zinc/84/11/89/1016841189.db2.gz HADXPCGTNHXBEN-UHFFFAOYSA-N -1 0 303.286 -0.903 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@@]1(C)CCOC1 ZINC001417749814 1004019478 /nfs/dbraw/zinc/01/94/78/1004019478.db2.gz XVZJGUCUVLXXQE-YGRLFVJLSA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cccn2nccc12 ZINC001593112023 1016845047 /nfs/dbraw/zinc/84/50/47/1016845047.db2.gz GHSDIRNSWXSMOS-UHFFFAOYSA-N -1 0 324.308 -0.464 20 0 DBADRM C[C@](O)(CC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001439519777 1004028383 /nfs/dbraw/zinc/02/83/83/1004028383.db2.gz DEJNCSRZSZJZPR-HZMBPMFUSA-N -1 0 309.370 -0.248 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCCC[C@@H]1O ZINC001593112947 1016845735 /nfs/dbraw/zinc/84/57/35/1016845735.db2.gz SYMZRUXAQOFJMU-IUCAKERBSA-N -1 0 321.345 -0.939 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)Nc1cccc(F)n1 ZINC001593111969 1016845841 /nfs/dbraw/zinc/84/58/41/1016845841.db2.gz JZVKQIHBMAKSPO-UHFFFAOYSA-N -1 0 318.276 -0.186 20 0 DBADRM CCC(CC)(NC(=O)[C@H]1CC(=O)N(CCOC)C1)c1nnn[n-]1 ZINC001417773986 1004032930 /nfs/dbraw/zinc/03/29/30/1004032930.db2.gz MKFXLJABZVVNBX-JTQLQIEISA-N -1 0 324.385 -0.174 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NC1CC(F)(F)C1 ZINC001593110877 1016845922 /nfs/dbraw/zinc/84/59/22/1016845922.db2.gz IDOLDUZYRWEHNL-UHFFFAOYSA-N -1 0 313.272 -0.445 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)Nc1cccnn1 ZINC001593112543 1016846004 /nfs/dbraw/zinc/84/60/04/1016846004.db2.gz PJWRVTDKMJZPQL-UHFFFAOYSA-N -1 0 301.274 -0.930 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001593139189 1016847982 /nfs/dbraw/zinc/84/79/82/1016847982.db2.gz UTTWKHLJTNDVCF-ULHKAFAUSA-N -1 0 320.349 -0.206 20 0 DBADRM COC(=O)Cc1ccccc1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001417819456 1004050831 /nfs/dbraw/zinc/05/08/31/1004050831.db2.gz VUUPVSPWGUSZNM-UHFFFAOYSA-N -1 0 318.289 -0.072 20 0 DBADRM C[C@H](NC(=O)NCCC(=O)NCCC(=O)[O-])[C@H]1CCOC1 ZINC001593088852 1016841692 /nfs/dbraw/zinc/84/16/92/1016841692.db2.gz NBJVNYCWZUEJSQ-UWVGGRQHSA-N -1 0 301.343 -0.308 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001417878554 1004083149 /nfs/dbraw/zinc/08/31/49/1004083149.db2.gz QAYXMQPYBDTOCN-SSDOTTSWSA-N -1 0 320.396 -0.505 20 0 DBADRM CN1C(=O)COc2ccc(C(=O)Nn3c(=O)[n-][nH]c3=O)cc21 ZINC001417884547 1004087655 /nfs/dbraw/zinc/08/76/55/1004087655.db2.gz YPQFEEMUHPGQFB-UHFFFAOYSA-N -1 0 305.250 -0.572 20 0 DBADRM C[C@@H](CC(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001496147089 1016852392 /nfs/dbraw/zinc/85/23/92/1016852392.db2.gz HWKAYHXXYBUIIO-QMMMGPOBSA-N -1 0 323.353 -0.093 20 0 DBADRM COC(=O)[C@@H](CF)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001417886550 1004089461 /nfs/dbraw/zinc/08/94/61/1004089461.db2.gz YBFGBAJAKSNCAT-SECBINFHSA-N -1 0 324.268 -0.493 20 0 DBADRM C[C@@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593139188 1016848663 /nfs/dbraw/zinc/84/86/63/1016848663.db2.gz UTTWKHLJTNDVCF-OMHSBUABSA-N -1 0 320.349 -0.206 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1cccc(F)c1-c1nn[nH]n1 ZINC001593153081 1016849360 /nfs/dbraw/zinc/84/93/60/1016849360.db2.gz UEZHIRMREIWKBH-UHFFFAOYSA-N -1 0 305.229 -0.388 20 0 DBADRM C[C@@](NC(=O)c1ccc(S(N)(=O)=O)nc1)(C(=O)[O-])C1CC1 ZINC001593173453 1016849747 /nfs/dbraw/zinc/84/97/47/1016849747.db2.gz ULZFGFZBTYZDEP-LBPRGKRZSA-N -1 0 313.335 -0.288 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001593181080 1016850168 /nfs/dbraw/zinc/85/01/68/1016850168.db2.gz DVODDVPQFULTQB-GDPRMGEGSA-N -1 0 310.306 -0.308 20 0 DBADRM O=C(Nc1c[nH]nc1-c1nnn[n-]1)c1ccc(-n2ccnc2)nn1 ZINC001593259953 1016857307 /nfs/dbraw/zinc/85/73/07/1016857307.db2.gz FHRIFCWPAWESDV-UHFFFAOYSA-N -1 0 323.280 -0.182 20 0 DBADRM CCC[C@@H](C)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001439981879 1004167677 /nfs/dbraw/zinc/16/76/77/1004167677.db2.gz LJHJWTSNHHMZOK-YGRLFVJLSA-N -1 0 311.386 -0.001 20 0 DBADRM C[C@@H](NS(=O)(=O)CCCC(=O)[O-])C1(S(C)(=O)=O)CC1 ZINC001593318522 1016858187 /nfs/dbraw/zinc/85/81/87/1016858187.db2.gz BFOWTKCLZRZTFL-MRVPVSSYSA-N -1 0 313.397 -0.264 20 0 DBADRM C[C@H](N[C@H]1CCN(CCC(=O)[O-])C1=O)c1nnnn1C1CC1 ZINC001593220918 1016855249 /nfs/dbraw/zinc/85/52/49/1016855249.db2.gz WPBMZONISUHRAC-WPRPVWTQSA-N -1 0 308.342 -0.266 20 0 DBADRM Cc1occc1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001440028122 1004206326 /nfs/dbraw/zinc/20/63/26/1004206326.db2.gz NGTFFKBUDPCINU-UHFFFAOYSA-N -1 0 307.310 -0.612 20 0 DBADRM O=C([O-])/C=C/CNS(=O)(=O)Cc1ccccc1-c1nn[nH]n1 ZINC001593276688 1016856229 /nfs/dbraw/zinc/85/62/29/1016856229.db2.gz NTJKBLOFBKTGPL-ZZXKWVIFSA-N -1 0 323.334 -0.073 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1ncncc1-c1nn[nH]n1)C2 ZINC001593278777 1016856319 /nfs/dbraw/zinc/85/63/19/1016856319.db2.gz ATPCTWTZEPCOHN-JMCQJSRRSA-N -1 0 303.282 -0.806 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)[C@H]1CN(C)CCO1 ZINC001593327385 1016860416 /nfs/dbraw/zinc/86/04/16/1016860416.db2.gz ZMBFRFSBTFHXND-PSASIEDQSA-N -1 0 318.351 -0.025 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)[C@H]1CN(C)CCO1 ZINC001593327388 1016860645 /nfs/dbraw/zinc/86/06/45/1016860645.db2.gz ZMBFRFSBTFHXND-WCBMZHEXSA-N -1 0 318.351 -0.025 20 0 DBADRM COC(=O)[C@H](CC(C)(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001418178839 1004245280 /nfs/dbraw/zinc/24/52/80/1004245280.db2.gz MMBMHSMUQWAUPM-ZETCQYMHSA-N -1 0 300.315 -0.217 20 0 DBADRM O=C(c1cc(-c2nn[nH]n2)ccn1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001593325037 1016861070 /nfs/dbraw/zinc/86/10/70/1016861070.db2.gz NQJPPMFAEHJBLD-MRVPVSSYSA-N -1 0 312.297 -0.596 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1cccnc1N1CCOCC1 ZINC001418188501 1004251011 /nfs/dbraw/zinc/25/10/11/1004251011.db2.gz OWIQCUKXFHZMQU-UHFFFAOYSA-N -1 0 319.321 -0.133 20 0 DBADRM COCCn1cc(C(=O)N(C)Cc2nc(=O)o[n-]2)c(=O)cc1C ZINC001418189190 1004251161 /nfs/dbraw/zinc/25/11/61/1004251161.db2.gz WKDUVBKEGYGRAK-UHFFFAOYSA-N -1 0 322.321 -0.248 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001418188865 1004252770 /nfs/dbraw/zinc/25/27/70/1004252770.db2.gz SKFORVLFODVKIM-RKDXNWHRSA-N -1 0 312.326 -0.263 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CC1(CS(C)(=O)=O)CC1 ZINC001418187825 1004252779 /nfs/dbraw/zinc/25/27/79/1004252779.db2.gz HBBFJRNFPSEWSA-UHFFFAOYSA-N -1 0 303.340 -0.464 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)cn1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001593337615 1016862661 /nfs/dbraw/zinc/86/26/61/1016862661.db2.gz YPQIJMZRZMPAAV-MRVPVSSYSA-N -1 0 312.297 -0.596 20 0 DBADRM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCN[C@@H](c2cn[nH]c2)C1 ZINC001593339751 1016862878 /nfs/dbraw/zinc/86/28/78/1016862878.db2.gz VSTFOHXKVGWVPR-SECBINFHSA-N -1 0 314.309 -0.031 20 0 DBADRM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](CF)C(=O)[O-] ZINC001593344695 1016863071 /nfs/dbraw/zinc/86/30/71/1016863071.db2.gz FGPYMXGYWQGTFN-BQBZGAKWSA-N -1 0 324.355 -0.046 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)cn1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001593337616 1016863142 /nfs/dbraw/zinc/86/31/42/1016863142.db2.gz YPQIJMZRZMPAAV-QMMMGPOBSA-N -1 0 312.297 -0.596 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC001593347144 1016863870 /nfs/dbraw/zinc/86/38/70/1016863870.db2.gz BINCVKWCAPSCEV-MRVPVSSYSA-N -1 0 315.351 -0.324 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)NCCF ZINC001593334359 1016863998 /nfs/dbraw/zinc/86/39/98/1016863998.db2.gz PKGPGMSWJIAYKS-SSDOTTSWSA-N -1 0 319.314 -0.468 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCc2n[nH]nc2C1 ZINC001593335906 1016864441 /nfs/dbraw/zinc/86/44/41/1016864441.db2.gz XWBOKIZQARBXDM-UHFFFAOYSA-N -1 0 312.293 -0.111 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CC[C@@H](CO)[C@H](O)C1 ZINC001593348351 1016865647 /nfs/dbraw/zinc/86/56/47/1016865647.db2.gz UCTDMEBTXFSTLL-GZMMTYOYSA-N -1 0 304.310 -0.923 20 0 DBADRM O=C(c1ccsc1-c1nn[nH]n1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001593361926 1016864871 /nfs/dbraw/zinc/86/48/71/1016864871.db2.gz BRVSZPQJUDKHSE-VXNVDRBHSA-N -1 0 309.351 -0.257 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CCN(C2CC2)C(=O)C1 ZINC001593349026 1016864899 /nfs/dbraw/zinc/86/48/99/1016864899.db2.gz WKLDSZRLXRKNJT-UHFFFAOYSA-N -1 0 313.321 -0.292 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC001593353078 1016865708 /nfs/dbraw/zinc/86/57/08/1016865708.db2.gz MEFCFHJRDCVVPD-WCBMZHEXSA-N -1 0 322.383 -0.690 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CCS(=O)(=O)CC1 ZINC001593348585 1016865152 /nfs/dbraw/zinc/86/51/52/1016865152.db2.gz FYPMIXBJLFQZFX-UHFFFAOYSA-N -1 0 308.323 -0.868 20 0 DBADRM O=C(c1coc(-c2nn[nH]n2)c1)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001593367789 1016866456 /nfs/dbraw/zinc/86/64/56/1016866456.db2.gz PNCMDHFBVAKREM-WCBMZHEXSA-N -1 0 307.310 -0.477 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CCc2n[nH]c(=O)cc2C1 ZINC001593348784 1016866616 /nfs/dbraw/zinc/86/66/16/1016866616.db2.gz POPLKMVLZUCMFS-UHFFFAOYSA-N -1 0 324.304 -0.044 20 0 DBADRM Cn1nccc1[C@H]1COCCN1C(=O)CCCc1nnn[n-]1 ZINC001418277722 1004309721 /nfs/dbraw/zinc/30/97/21/1004309721.db2.gz AUWICOFEYAEJKP-LLVKDONJSA-N -1 0 305.342 -0.144 20 0 DBADRM COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001418278506 1004313758 /nfs/dbraw/zinc/31/37/58/1004313758.db2.gz VGSFETKHIHXXLJ-SNVBAGLBSA-N -1 0 320.305 -0.410 20 0 DBADRM C[C@@](O)(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)C1CCC1 ZINC001593375556 1016868171 /nfs/dbraw/zinc/86/81/71/1016868171.db2.gz FXJJZTYOXIIDCL-TVYUQYBPSA-N -1 0 319.379 -0.458 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1cscn1 ZINC001418300353 1004324280 /nfs/dbraw/zinc/32/42/80/1004324280.db2.gz APXXHIZALGYIBI-ZETCQYMHSA-N -1 0 312.355 -0.560 20 0 DBADRM C[C@](O)(C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)C1CCC1 ZINC001593375557 1016869069 /nfs/dbraw/zinc/86/90/69/1016869069.db2.gz FXJJZTYOXIIDCL-ZWKOPEQDSA-N -1 0 319.379 -0.458 20 0 DBADRM O=C1CCCN1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001593394311 1016870566 /nfs/dbraw/zinc/87/05/66/1016870566.db2.gz CVWGXFWWLAPWGO-UHFFFAOYSA-N -1 0 308.323 -0.318 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001418386514 1004370161 /nfs/dbraw/zinc/37/01/61/1004370161.db2.gz BRRQVEDRUVGNQH-KOLCDFICSA-N -1 0 315.333 -0.237 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC001593398939 1016873153 /nfs/dbraw/zinc/87/31/53/1016873153.db2.gz INUOBXOEQJZJTP-KCJUWKMLSA-N -1 0 305.352 -0.847 20 0 DBADRM O=C(NCC[S@@](=O)CC(F)(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001418428787 1004386604 /nfs/dbraw/zinc/38/66/04/1004386604.db2.gz ZNAKIJCCCGSPDR-HXUWFJFHSA-N -1 0 314.245 -0.676 20 0 DBADRM Cn1[n-]c(C(=O)NCCS(=O)(=O)C(F)(F)F)cc1=O ZINC001418426842 1004387464 /nfs/dbraw/zinc/38/74/64/1004387464.db2.gz ODBLQXTWLZDTCF-UHFFFAOYSA-N -1 0 301.246 -0.210 20 0 DBADRM C[C@@](O)(CNC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)[O-] ZINC001593399305 1016874101 /nfs/dbraw/zinc/87/41/01/1016874101.db2.gz QAACZFBEJZGGFM-OIBJUYFYSA-N -1 0 314.260 -0.799 20 0 DBADRM CC[C@@H](OC)C(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001418451739 1004399949 /nfs/dbraw/zinc/39/99/49/1004399949.db2.gz QKIDZVGPIPNWLF-GFCCVEGCSA-N -1 0 321.381 -0.004 20 0 DBADRM C[C@](O)(CNC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC001593400496 1016875246 /nfs/dbraw/zinc/87/52/46/1016875246.db2.gz IFHAATYRQPFSRC-AWEZNQCLSA-N -1 0 310.306 -0.135 20 0 DBADRM COC(=O)[C@H]1CC(F)(F)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001418457146 1004405990 /nfs/dbraw/zinc/40/59/90/1004405990.db2.gz KAIJXYMEOJAQBT-RXMQYKEDSA-N -1 0 306.225 -0.902 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1cc(C(N)=O)c2ccccc21)C(=O)[O-] ZINC001593404700 1016875423 /nfs/dbraw/zinc/87/54/23/1016875423.db2.gz FDDXYLQSCYHKMO-OAHLLOKOSA-N -1 0 319.317 -0.308 20 0 DBADRM C[C@@](O)(CNC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC001593400497 1016875905 /nfs/dbraw/zinc/87/59/05/1016875905.db2.gz IFHAATYRQPFSRC-CQSZACIVSA-N -1 0 310.306 -0.135 20 0 DBADRM C[C@](O)(CNC(=O)C[C@@H](NC(N)=O)c1cccs1)C(=O)[O-] ZINC001593400632 1016876010 /nfs/dbraw/zinc/87/60/10/1016876010.db2.gz LFXKETNYRJOUKC-KRTXAFLBSA-N -1 0 315.351 -0.201 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001418488662 1004431737 /nfs/dbraw/zinc/43/17/37/1004431737.db2.gz QMHRQARLKZXRFJ-UHFFFAOYSA-N -1 0 307.314 -0.824 20 0 DBADRM C[C@](O)(CNC(=O)c1ccc(S(C)(=O)=O)cc1N)C(=O)[O-] ZINC001593411741 1016877368 /nfs/dbraw/zinc/87/73/68/1016877368.db2.gz PIFAGZKCIVWJTL-LBPRGKRZSA-N -1 0 316.335 -0.762 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccn(CCn2cccn2)n1)C(=O)[O-] ZINC001593411698 1016878188 /nfs/dbraw/zinc/87/81/88/1016878188.db2.gz LUXXOJCHZRHYPD-CYBMUJFWSA-N -1 0 307.310 -0.655 20 0 DBADRM CN1c2ccccc2CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1=O ZINC001418505251 1004441577 /nfs/dbraw/zinc/44/15/77/1004441577.db2.gz GPACRNDTLASRFN-UHFFFAOYSA-N -1 0 317.305 -0.306 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccn(C2CCOCC2)n1 ZINC001418509475 1004442170 /nfs/dbraw/zinc/44/21/70/1004442170.db2.gz YGXFPWXAOQEOCH-UHFFFAOYSA-N -1 0 308.298 -0.124 20 0 DBADRM C[C@H]1C[C@H](C(=O)NCCN(C)Cc2nn(C)c(=O)[n-]2)CCO1 ZINC001418511754 1004444438 /nfs/dbraw/zinc/44/44/38/1004444438.db2.gz DVUNQGYDUUNNKK-WDEREUQCSA-N -1 0 311.386 -0.529 20 0 DBADRM CN(CCNC(=O)[C@@]1(C)CCCOC1)Cc1nc(=O)n(C)[nH]1 ZINC001418516282 1004445429 /nfs/dbraw/zinc/44/54/29/1004445429.db2.gz ZIAVCCVLHQGPPL-AWEZNQCLSA-N -1 0 311.386 -0.527 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC001418547683 1004468916 /nfs/dbraw/zinc/46/89/16/1004468916.db2.gz UUAWRNBNQSSPIU-ZCFIWIBFSA-N -1 0 310.232 -0.131 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(N2CCOC2=O)CC1 ZINC001418553669 1004472327 /nfs/dbraw/zinc/47/23/27/1004472327.db2.gz DMDKTRFHDRZFRI-UHFFFAOYSA-N -1 0 309.282 -0.660 20 0 DBADRM O=C1O[C@@H](Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)CC12CC2 ZINC001593413577 1016880773 /nfs/dbraw/zinc/88/07/73/1016880773.db2.gz VOIYIULPXZVLGB-ZCFIWIBFSA-N -1 0 304.266 -0.775 20 0 DBADRM O=S(=O)(N[C@@H](CO)C1CCC1)c1cccnc1-c1nnn[n-]1 ZINC001593429868 1016883884 /nfs/dbraw/zinc/88/38/84/1016883884.db2.gz DLJMTPCLVSVOCL-VIFPVBQESA-N -1 0 324.366 -0.299 20 0 DBADRM CCN(CCNC(=O)c1ccc(=O)[nH]c1)Cc1n[nH]c(=O)[n-]1 ZINC001418575132 1004482127 /nfs/dbraw/zinc/48/21/27/1004482127.db2.gz RFLOCDFAJDBCJG-UHFFFAOYSA-N -1 0 306.326 -0.137 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001418608924 1004497331 /nfs/dbraw/zinc/49/73/31/1004497331.db2.gz OIOYQKZHBUWFIZ-JTQLQIEISA-N -1 0 310.358 -0.931 20 0 DBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)N(C)c3nnn[n-]3)c2C1 ZINC001418611333 1004500950 /nfs/dbraw/zinc/50/09/50/1004500950.db2.gz DLEIJVJCSIBIKH-VIFPVBQESA-N -1 0 318.341 -0.629 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CC(C)(C(=O)[O-])C1 ZINC001593433098 1016883254 /nfs/dbraw/zinc/88/32/54/1016883254.db2.gz UUHGYSBRCRVQBU-KOLCDFICSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@]1(C(=O)NCc2nc([O-])cc(=O)[nH]2)CCCS1(=O)=O ZINC001418627237 1004508141 /nfs/dbraw/zinc/50/81/41/1004508141.db2.gz VQZZUYAXXPUMFW-NSHDSACASA-N -1 0 301.324 -0.529 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC001593435129 1016883651 /nfs/dbraw/zinc/88/36/51/1016883651.db2.gz DNZCQNYTGQEYDR-FIQHERPVSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC001593435130 1016883711 /nfs/dbraw/zinc/88/37/11/1016883711.db2.gz DNZCQNYTGQEYDR-IRCOFANPSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001593447757 1016889627 /nfs/dbraw/zinc/88/96/27/1016889627.db2.gz MBLWOFREHKXCEP-KPPDAEKUSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC001593439163 1016885279 /nfs/dbraw/zinc/88/52/79/1016885279.db2.gz ZEHNMBAPCPBFNW-FIXISWKDSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](O)[C@@H]1CCCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001593438561 1016885383 /nfs/dbraw/zinc/88/53/83/1016885383.db2.gz WJIGLJKCEKOBLJ-NXEZZACHSA-N -1 0 311.342 -0.221 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)NCC(C)(C)CC(=O)[O-])C1 ZINC001593437667 1016885443 /nfs/dbraw/zinc/88/54/43/1016885443.db2.gz SOZKGQLDKDJLGR-UWVGGRQHSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001593439152 1016885825 /nfs/dbraw/zinc/88/58/25/1016885825.db2.gz YUSFPQPWOZJFSN-ZFRURQGFSA-N -1 0 310.350 -0.415 20 0 DBADRM C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1 ZINC001593438885 1016886166 /nfs/dbraw/zinc/88/61/66/1016886166.db2.gz WRIFEKVHXNBXJX-YMEQNVIZSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC001593437358 1016886321 /nfs/dbraw/zinc/88/63/21/1016886321.db2.gz QZSCIMRARBLCRU-DDHJBXDOSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001593440782 1016887206 /nfs/dbraw/zinc/88/72/06/1016887206.db2.gz BCIBWLAOECROLN-VHSXEESVSA-N -1 0 301.343 -0.620 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C[C@H](C)O ZINC001593441792 1016887633 /nfs/dbraw/zinc/88/76/33/1016887633.db2.gz SXMGLJLOCMLKGY-SFYZADRCSA-N -1 0 312.326 -0.420 20 0 DBADRM O=S(=O)([N-]c1n[nH]cc1-c1nn[nH]n1)c1cnc2n1CCC2 ZINC001593445701 1016889849 /nfs/dbraw/zinc/88/98/49/1016889849.db2.gz BNIBUDVFZCPQRU-UHFFFAOYSA-N -1 0 321.326 -0.467 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCOC[C@@H]1C[C@H](C)O)C(=O)[O-] ZINC001593448796 1016889878 /nfs/dbraw/zinc/88/98/78/1016889878.db2.gz VCESBZDBBKEOPG-GVXVVHGQSA-N -1 0 302.371 -0.317 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NC[C@@H](O)[C@H](C)O)cc2=O)n1 ZINC001418678384 1004560785 /nfs/dbraw/zinc/56/07/85/1004560785.db2.gz MHBGQMBVZPWIBI-GXSJLCMTSA-N -1 0 321.337 -0.956 20 0 DBADRM C[C@@H](O)[C@@H]1CN(CC(=O)NC2(C(=O)[O-])CCCCC2)CCO1 ZINC001593442077 1016888029 /nfs/dbraw/zinc/88/80/29/1016888029.db2.gz KPUJBQOKHYPZHW-NEPJUHHUSA-N -1 0 314.382 -0.028 20 0 DBADRM C[C@@H](O)[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CCO1 ZINC001593443286 1016888042 /nfs/dbraw/zinc/88/80/42/1016888042.db2.gz YATFXOOFAYINDA-NXEZZACHSA-N -1 0 307.368 -0.347 20 0 DBADRM O=S(=O)(N[C@@H]1CCOC1)c1ccsc1-c1nnn[n-]1 ZINC001593443982 1016888358 /nfs/dbraw/zinc/88/83/58/1016888358.db2.gz HDHIWIXIRIDCOK-ZCFIWIBFSA-N -1 0 301.353 -0.005 20 0 DBADRM O=S(=O)(N[C@H]1C[C@H](CO)C1)c1ccsc1-c1nnn[n-]1 ZINC001593446131 1016889310 /nfs/dbraw/zinc/88/93/10/1016889310.db2.gz SMHCLADJLPXUJZ-LJGSYFOKSA-N -1 0 315.380 -0.023 20 0 DBADRM C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCCCCC(=O)[O-] ZINC001593450058 1016889364 /nfs/dbraw/zinc/88/93/64/1016889364.db2.gz IHUVUZPTVNPSKI-QWRGUYRKSA-N -1 0 316.354 -0.644 20 0 DBADRM C[C@H](O)C[C@H]1COCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC001593448759 1016890016 /nfs/dbraw/zinc/89/00/16/1016890016.db2.gz UJIIPERMUPDNGY-UWVGGRQHSA-N -1 0 310.372 -0.891 20 0 DBADRM C[C@@H](O)C[C@H]1COCCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001593448369 1016890023 /nfs/dbraw/zinc/89/00/23/1016890023.db2.gz RLZQHKXWSQNHKY-ZJUUUORDSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001496328667 1016890395 /nfs/dbraw/zinc/89/03/95/1016890395.db2.gz OSMBRPCLSHWUBT-SFYZADRCSA-N -1 0 309.326 -0.483 20 0 DBADRM C[C@@H](O)CN(CCO)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001593458783 1016891336 /nfs/dbraw/zinc/89/13/36/1016891336.db2.gz HTZRTLXGOIFOFL-SECBINFHSA-N -1 0 314.342 -0.090 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@@H](O)c1cccnc1 ZINC001418745196 1004610927 /nfs/dbraw/zinc/61/09/27/1004610927.db2.gz GXVUHZXZXCVFNI-LLVKDONJSA-N -1 0 314.305 -0.684 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001593458964 1016892164 /nfs/dbraw/zinc/89/21/64/1016892164.db2.gz LPXFPQMKKOPHKZ-DCAQKATOSA-N -1 0 309.384 -0.365 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N(CCO)C1CCC1 ZINC001593457604 1016892198 /nfs/dbraw/zinc/89/21/98/1016892198.db2.gz OBLVXQQFFUXWSE-UHFFFAOYSA-N -1 0 324.366 -0.203 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001593460237 1016893252 /nfs/dbraw/zinc/89/32/52/1016893252.db2.gz VPTFKTDWKSWDQH-JTQLQIEISA-N -1 0 317.363 -0.110 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@H](C(=O)[O-])c2cccnc2)nn1 ZINC001593477192 1016895511 /nfs/dbraw/zinc/89/55/11/1016895511.db2.gz LAPVSAPLJHPPOU-UFBFGSQYSA-N -1 0 305.294 -0.332 20 0 DBADRM CCNC(=O)CN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C ZINC001418795744 1004648135 /nfs/dbraw/zinc/64/81/35/1004648135.db2.gz HLFDFVZWLIHLOS-ZJUUUORDSA-N -1 0 309.370 -0.248 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001418814418 1004665592 /nfs/dbraw/zinc/66/55/92/1004665592.db2.gz QNMAATKRSKMIHS-KOLCDFICSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@H](OC(=O)[C@@H](CO)NC(=O)c1ccccc1)C(=O)C(=O)[O-] ZINC001593484463 1016897494 /nfs/dbraw/zinc/89/74/94/1016897494.db2.gz JGIFREKCHSWTOR-WCBMZHEXSA-N -1 0 309.274 -0.637 20 0 DBADRM Cc1ccc(C(=O)N(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001496362352 1016897811 /nfs/dbraw/zinc/89/78/11/1016897811.db2.gz MPTNVWZBDAGLFS-UHFFFAOYSA-N -1 0 323.309 -0.521 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1CCOC[C@H]1CCCO1 ZINC001593489157 1016898902 /nfs/dbraw/zinc/89/89/02/1016898902.db2.gz BPVDICUAOCGPSB-MRVPVSSYSA-N -1 0 308.298 -0.675 20 0 DBADRM C[C@H](OC(=O)C(=O)c1cnn(C)c1)c1cn(CC(=O)[O-])nn1 ZINC001593482870 1016898925 /nfs/dbraw/zinc/89/89/25/1016898925.db2.gz URTWVNHHCOIZKW-ZETCQYMHSA-N -1 0 307.266 -0.417 20 0 DBADRM O=c1[n-]c([C@H]2CCCN(c3ncncc3-c3nn[nH]n3)C2)n[nH]1 ZINC001593497410 1016899569 /nfs/dbraw/zinc/89/95/69/1016899569.db2.gz CCQSZNHNGBWDEI-ZETCQYMHSA-N -1 0 314.313 -0.136 20 0 DBADRM O=c1cc(-c2nnn[n-]2)ncn1C[C@@H](O)CC1(O)CCCCC1 ZINC001593493541 1016899921 /nfs/dbraw/zinc/89/99/21/1016899921.db2.gz JSUVGQRBVACXJY-JTQLQIEISA-N -1 0 320.353 -0.130 20 0 DBADRM COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)CCc1nnn[n-]1 ZINC001418920417 1004715614 /nfs/dbraw/zinc/71/56/14/1004715614.db2.gz JALDMXKXMUIQTF-UWVGGRQHSA-N -1 0 311.342 -0.393 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CCCS1(=O)=O)c1cn(CC(=O)[O-])nn1 ZINC001593499422 1016900906 /nfs/dbraw/zinc/90/09/06/1016900906.db2.gz BATSBXFQYQKHCT-APPZFPTMSA-N -1 0 317.323 -0.456 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CCCCS1(=O)=O)C(=O)NCC(=O)[O-] ZINC001593503136 1016901877 /nfs/dbraw/zinc/90/18/77/1016901877.db2.gz STPHJORZGMQMIX-HTQZYQBOSA-N -1 0 307.324 -0.914 20 0 DBADRM CCN(CC)C(=O)CCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001419001997 1004756837 /nfs/dbraw/zinc/75/68/37/1004756837.db2.gz GXBNJOJNVFMOAU-UHFFFAOYSA-N -1 0 324.385 -0.541 20 0 DBADRM C[C@H](OC(=O)C[C@@H]1NC(=O)c2ccccc21)C(=O)NCC(=O)[O-] ZINC001593513240 1016904321 /nfs/dbraw/zinc/90/43/21/1016904321.db2.gz AKNWCKIEUDOKFN-KWQFWETISA-N -1 0 320.301 -0.006 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CC[C@@H](c3nnn[n-]3)C2)c(=O)n1 ZINC001419043526 1004783015 /nfs/dbraw/zinc/78/30/15/1004783015.db2.gz PMNCXLLXTXELDQ-SNVBAGLBSA-N -1 0 303.326 -0.611 20 0 DBADRM COC[C@@H](O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-] ZINC001419051349 1004786709 /nfs/dbraw/zinc/78/67/09/1004786709.db2.gz WVORJJYUXANJCP-DCAQKATOSA-N -1 0 310.354 -0.670 20 0 DBADRM C[C@H](OC(=O)CCCS(=O)(=O)N1CCCC1)C(=O)C(=O)[O-] ZINC001593526041 1016907426 /nfs/dbraw/zinc/90/74/26/1016907426.db2.gz QVWCHTJAVWBGKW-VIFPVBQESA-N -1 0 321.351 -0.222 20 0 DBADRM COC(=O)[C@@H]1C[C@H](F)CN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001419093343 1004804887 /nfs/dbraw/zinc/80/48/87/1004804887.db2.gz QITQCPDQDSOQMF-YUMQZZPRSA-N -1 0 316.289 -0.419 20 0 DBADRM C[C@@H](OC(=O)CCCS(=O)(=O)N1CCCC1)C(=O)C(=O)[O-] ZINC001593526040 1016908848 /nfs/dbraw/zinc/90/88/48/1016908848.db2.gz QVWCHTJAVWBGKW-SECBINFHSA-N -1 0 321.351 -0.222 20 0 DBADRM C[C@@H](OC(=O)CN1CCCCC1=O)c1cn(CC(=O)[O-])nn1 ZINC001593533509 1016913665 /nfs/dbraw/zinc/91/36/65/1016913665.db2.gz DMNJMFWHENFFJT-SECBINFHSA-N -1 0 310.310 -0.021 20 0 DBADRM CCO[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)C1CC1 ZINC001419469647 1004881741 /nfs/dbraw/zinc/88/17/41/1004881741.db2.gz FQEIHUVMBPHFAA-LOWVWBTDSA-N -1 0 323.397 -0.340 20 0 DBADRM COC[C@H](NC(=O)C(F)(F)C1(O)CCCC1)c1nnn[n-]1 ZINC001419560364 1004900938 /nfs/dbraw/zinc/90/09/38/1004900938.db2.gz ZJEQUCSRLJJOCC-ZETCQYMHSA-N -1 0 305.285 -0.056 20 0 DBADRM C[C@H](OC(=O)Cc1cnn2c1CCCC2)C(=O)NCC(=O)[O-] ZINC001593536926 1016919588 /nfs/dbraw/zinc/91/95/88/1016919588.db2.gz CDJYDSBELNDOEX-VIFPVBQESA-N -1 0 309.322 -0.106 20 0 DBADRM CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC001419666851 1004935524 /nfs/dbraw/zinc/93/55/24/1004935524.db2.gz YVGZILMUGFFMQY-GJMOJQLCSA-N -1 0 308.294 -0.446 20 0 DBADRM c1cc(NC2CC(N3CCOCC3)C2)nc(-c2nnn[n-]2)n1 ZINC001593559494 1016925369 /nfs/dbraw/zinc/92/53/69/1016925369.db2.gz ZJTISTPRAZBYHQ-UHFFFAOYSA-N -1 0 302.342 -0.646 20 0 DBADRM C[C@H](OC(=O)c1c(Br)nnn1C)C(=O)C(=O)[O-] ZINC001593562011 1016925484 /nfs/dbraw/zinc/92/54/84/1016925484.db2.gz CIHYFNWCAGTEGN-VKHMYHEASA-N -1 0 306.072 -0.223 20 0 DBADRM c1ncn(-c2cc(CNc3ccnc(-c4nnn[n-]4)n3)ccn2)n1 ZINC001593557343 1016921788 /nfs/dbraw/zinc/92/17/88/1016921788.db2.gz QJOWRYMPJWFCLE-UHFFFAOYSA-N -1 0 321.308 -0.334 20 0 DBADRM c1cc(N[C@H]2CCO[C@@]3(CCOC3)C2)nc(-c2nnn[n-]2)n1 ZINC001593559478 1016922628 /nfs/dbraw/zinc/92/26/28/1016922628.db2.gz ZDLIJYVWBJAYPJ-ZANVPECISA-N -1 0 303.326 -0.171 20 0 DBADRM C[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)NCC(=O)[O-] ZINC001593584576 1016923218 /nfs/dbraw/zinc/92/32/18/1016923218.db2.gz CHDMKYPSDPGUKR-MRVPVSSYSA-N -1 0 319.277 -0.592 20 0 DBADRM C[C@H](OC(=O)c1ccn(CC(F)F)n1)C(=O)NCC(=O)[O-] ZINC001593592734 1016928548 /nfs/dbraw/zinc/92/85/48/1016928548.db2.gz YBRLSMQYWSEQGY-LURJTMIESA-N -1 0 305.237 -0.106 20 0 DBADRM C[C@H](OCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])c1nccn1C ZINC001593604865 1016928939 /nfs/dbraw/zinc/92/89/39/1016928939.db2.gz WMCOZPQMATUWLG-UWVGGRQHSA-N -1 0 324.337 -0.701 20 0 DBADRM CN(CCN(C)C(=O)CCn1ccnn1)Cc1n[nH]c(=O)[n-]1 ZINC001419966091 1005033093 /nfs/dbraw/zinc/03/30/93/1005033093.db2.gz UXFBSOPBEJIQKJ-UHFFFAOYSA-N -1 0 308.346 -0.918 20 0 DBADRM C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NCC(=O)NCC(=O)[O-] ZINC001593705356 1016934915 /nfs/dbraw/zinc/93/49/15/1016934915.db2.gz GNHCTWGRJMIJDC-ZUZCIYMTSA-N -1 0 308.334 -0.142 20 0 DBADRM C[C@@]1(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CCC(=O)NC1 ZINC001593745391 1016934948 /nfs/dbraw/zinc/93/49/48/1016934948.db2.gz MOEHQVSXPHMRHO-ZIAGYGMSSA-N -1 0 309.322 -0.265 20 0 DBADRM C[C@H](Oc1ccccn1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001593656153 1016932764 /nfs/dbraw/zinc/93/27/64/1016932764.db2.gz SCZYBIXASAPNQQ-VIFPVBQESA-N -1 0 305.294 -0.045 20 0 DBADRM C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001593606332 1016932847 /nfs/dbraw/zinc/93/28/47/1016932847.db2.gz NNQIOAURIPZGKX-NEPJUHHUSA-N -1 0 300.355 -0.201 20 0 DBADRM C[C@H](Oc1cccnc1)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001593656349 1016933039 /nfs/dbraw/zinc/93/30/39/1016933039.db2.gz YDDPEHFKQLZLHJ-ONGXEEELSA-N -1 0 307.306 -0.397 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001593684871 1016933283 /nfs/dbraw/zinc/93/32/83/1016933283.db2.gz DHTBDTBUNLXEOZ-OKTBNZSVSA-N -1 0 300.340 -0.610 20 0 DBADRM C[C@H](Sc1nnc(N2CCOCC2)n1C)C(=O)C(=O)[O-] ZINC001593685027 1016933736 /nfs/dbraw/zinc/93/37/36/1016933736.db2.gz JAICLWACBUFTMQ-ZETCQYMHSA-N -1 0 300.340 -0.214 20 0 DBADRM C[C@@]1(C(=O)NC[C@H](CO)Nc2ccnc(C(=O)[O-])n2)C=CCC1 ZINC001593748765 1016934538 /nfs/dbraw/zinc/93/45/38/1016934538.db2.gz BKPTZHRZYXGHPN-MEBBXXQBSA-N -1 0 320.349 -0.158 20 0 DBADRM C[C@]1(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCNC(=O)C1 ZINC001593745254 1016934622 /nfs/dbraw/zinc/93/46/22/1016934622.db2.gz IFPADLUCOMGAIZ-OTYXRUKQSA-N -1 0 321.337 -0.334 20 0 DBADRM CC1(C(=O)N2CC(CCO)(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001593745557 1016936477 /nfs/dbraw/zinc/93/64/77/1016936477.db2.gz SGVSUXVSYPQYAM-VHSXEESVSA-N -1 0 310.350 -0.413 20 0 DBADRM C[C@]1(C(=O)NCC(=O)NCC(=O)[O-])Cc2ccccc2C(=O)O1 ZINC001593749139 1016938320 /nfs/dbraw/zinc/93/83/20/1016938320.db2.gz IQKJPRINJPVGAG-OAHLLOKOSA-N -1 0 320.301 -0.525 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(OCC(F)F)C2)C1 ZINC001593783500 1016938996 /nfs/dbraw/zinc/93/89/96/1016938996.db2.gz OBBWIVZEUBHGIH-ZDUSSCGKSA-N -1 0 320.292 -0.198 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[C@@H]2CCO[C@H]21 ZINC001593832829 1016941807 /nfs/dbraw/zinc/94/18/07/1016941807.db2.gz KGJUHBHRCIVKKX-OGBGREFGSA-N -1 0 310.350 -0.105 20 0 DBADRM CC1(C)CC(=O)N(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1 ZINC001593843620 1016941288 /nfs/dbraw/zinc/94/12/88/1016941288.db2.gz LDXPAIROLWPTON-SNVBAGLBSA-N -1 0 318.395 -0.224 20 0 DBADRM C[C@@]1(C(N)=O)CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001593815164 1016942071 /nfs/dbraw/zinc/94/20/71/1016942071.db2.gz FTLOEWZCLUXDMP-GFCCVEGCSA-N -1 0 313.335 -0.334 20 0 DBADRM CC1(C)CCC[C@@H](CS(=O)(=O)N2CC(O)(C(=O)[O-])C2)O1 ZINC001593888131 1016943589 /nfs/dbraw/zinc/94/35/89/1016943589.db2.gz QPIQJABQDGTNNE-VIFPVBQESA-N -1 0 307.368 -0.205 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1 ZINC001593869462 1016943603 /nfs/dbraw/zinc/94/36/03/1016943603.db2.gz YVJMGPPVRJOVMT-RKDXNWHRSA-N -1 0 308.338 -0.468 20 0 DBADRM CC1(C)CNC(=O)[C@H]1NS(=O)(=O)c1scnc1C(=O)[O-] ZINC001593948828 1016944993 /nfs/dbraw/zinc/94/49/93/1016944993.db2.gz MPVUFFZJEUFAJP-ZCFIWIBFSA-N -1 0 319.364 -0.356 20 0 DBADRM CC1(C)COC(=O)[C@@H]1NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001593952625 1016945142 /nfs/dbraw/zinc/94/51/42/1016945142.db2.gz DYLDVMYEJCQJOT-JTQLQIEISA-N -1 0 308.290 -0.386 20 0 DBADRM Cc1cc(=O)oc(C)c1C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001420259635 1005175145 /nfs/dbraw/zinc/17/51/45/1005175145.db2.gz DSXBOGMDCMOLAW-UHFFFAOYSA-N -1 0 321.337 -0.058 20 0 DBADRM CC1(C)CO[C@H](CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC001593955291 1016945268 /nfs/dbraw/zinc/94/52/68/1016945268.db2.gz UULYLJNHIFOLPO-UWVGGRQHSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@H](C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001420272081 1005180529 /nfs/dbraw/zinc/18/05/29/1005180529.db2.gz WVMNTAHTZXUKEU-NSHDSACASA-N -1 0 323.357 -0.821 20 0 DBADRM C[C@]1(C2CC2)CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CCO1 ZINC001593991572 1016946071 /nfs/dbraw/zinc/94/60/71/1016946071.db2.gz JWRZLVZFIBHKDG-ZUZCIYMTSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOC[C@@H]1C[C@H]1CCOC1 ZINC001420287075 1005187931 /nfs/dbraw/zinc/18/79/31/1005187931.db2.gz BVRKSXCMKNUKFQ-ZJUUUORDSA-N -1 0 312.326 -0.657 20 0 DBADRM C[C@@]1(CCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])CCC(=O)N1 ZINC001593999693 1016946920 /nfs/dbraw/zinc/94/69/20/1016946920.db2.gz QGFBAGCEHMIMPD-XPTSAGLGSA-N -1 0 311.338 -0.763 20 0 DBADRM C[C@]1(CCC(=O)N[C@H](Cn2cncn2)C(=O)[O-])CCC(=O)N1 ZINC001594000110 1016947678 /nfs/dbraw/zinc/94/76/78/1016947678.db2.gz ZQMRCDLYZBDZGV-RNCFNFMXSA-N -1 0 309.326 -0.704 20 0 DBADRM C[C@@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1 ZINC001594032055 1016948430 /nfs/dbraw/zinc/94/84/30/1016948430.db2.gz LUKKEEJYIGKTIB-XHDPSFHLSA-N -1 0 310.350 -0.103 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001594032294 1016948590 /nfs/dbraw/zinc/94/85/90/1016948590.db2.gz NWQDTDOCOWTNJX-QUBYGPBYSA-N -1 0 322.364 -0.652 20 0 DBADRM C[C@@]1(CO)CCCN1C(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001594031163 1016949548 /nfs/dbraw/zinc/94/95/48/1016949548.db2.gz ZEFJMSFYQNIMIV-NHYWBVRUSA-N -1 0 312.366 -0.023 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001420324837 1005214626 /nfs/dbraw/zinc/21/46/26/1005214626.db2.gz IWRXLCCNSFEXLJ-SNVBAGLBSA-N -1 0 324.385 -0.683 20 0 DBADRM C[C@]1(CCNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C[C@@]1(F)Cl ZINC001594007152 1016949757 /nfs/dbraw/zinc/94/97/57/1016949757.db2.gz VOYGPMZAGJQBJI-JQWIXIFHSA-N -1 0 322.720 -0.535 20 0 DBADRM C[C@@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1 ZINC001594032053 1016949782 /nfs/dbraw/zinc/94/97/82/1016949782.db2.gz LUKKEEJYIGKTIB-IAQYHMDHSA-N -1 0 310.350 -0.103 20 0 DBADRM C[C@@]1(CCF)NC(=O)N(CCC(=O)NCCC(=O)[O-])C1=O ZINC001594006117 1016949842 /nfs/dbraw/zinc/94/98/42/1016949842.db2.gz BYPOAJADHMTWEA-LBPRGKRZSA-N -1 0 303.290 -0.363 20 0 DBADRM C[C@]1(CO)CCCN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001594030725 1016950060 /nfs/dbraw/zinc/95/00/60/1016950060.db2.gz OAPMTZFNBOUFEY-OYFAQSGBSA-N -1 0 324.377 -0.025 20 0 DBADRM Cc1cc(CN(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)on1 ZINC001420334131 1005219272 /nfs/dbraw/zinc/21/92/72/1005219272.db2.gz ATRRYUFSZXQFRO-UHFFFAOYSA-N -1 0 310.314 -0.766 20 0 DBADRM C[C@@]1(CCC(=O)[O-])NC(=O)N(CCCS(C)(=O)=O)C1=O ZINC001594002653 1016950586 /nfs/dbraw/zinc/95/05/86/1016950586.db2.gz MNOSLLJCJUFTFU-NSHDSACASA-N -1 0 306.340 -0.404 20 0 DBADRM C[C@@]1(CO)CCCN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001594030726 1016950781 /nfs/dbraw/zinc/95/07/81/1016950781.db2.gz OAPMTZFNBOUFEY-XMQPUEPBSA-N -1 0 324.377 -0.025 20 0 DBADRM C[C@H](CN[C@@H](C)c1ncccn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001420363117 1005230227 /nfs/dbraw/zinc/23/02/27/1005230227.db2.gz NKIKAPIKPYXGMT-BDAKNGLRSA-N -1 0 321.341 -0.665 20 0 DBADRM C[C@H](CNCc1cscn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001420363301 1005232767 /nfs/dbraw/zinc/23/27/67/1005232767.db2.gz OXFWNTWXGZDZCI-SSDOTTSWSA-N -1 0 312.355 -0.560 20 0 DBADRM CC1(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCN(C(=O)c2cn[nH]n2)CC1 ZINC001594051271 1016951537 /nfs/dbraw/zinc/95/15/37/1016951537.db2.gz CLSRXTLWHTWPTH-RKDXNWHRSA-N -1 0 321.337 -0.364 20 0 DBADRM CC1(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCN(C(=O)c2cnon2)CC1 ZINC001594052915 1016951767 /nfs/dbraw/zinc/95/17/67/1016951767.db2.gz PUHQGMFEKNTKNM-BDAKNGLRSA-N -1 0 322.321 -0.099 20 0 DBADRM CC1(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCN(C(=O)c2cnon2)CC1 ZINC001594052920 1016952267 /nfs/dbraw/zinc/95/22/67/1016952267.db2.gz PUHQGMFEKNTKNM-IUCAKERBSA-N -1 0 322.321 -0.099 20 0 DBADRM CC1(CS(=O)(=O)N2CCOC[C@H]2C(=O)[O-])CCOCC1 ZINC001594037265 1016952367 /nfs/dbraw/zinc/95/23/67/1016952367.db2.gz NUMAANKZUDTCOW-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM CC1(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCN(C(=O)c2cn[nH]n2)CC1 ZINC001594051269 1016953383 /nfs/dbraw/zinc/95/33/83/1016953383.db2.gz CLSRXTLWHTWPTH-IUCAKERBSA-N -1 0 321.337 -0.364 20 0 DBADRM C[C@@]1(NC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CCOC1=O ZINC001594051879 1016954127 /nfs/dbraw/zinc/95/41/27/1016954127.db2.gz DRSYEHVSDLCDAR-OLZOCXBDSA-N -1 0 311.294 -0.293 20 0 DBADRM CC1(CS(=O)(=O)N2CCN(CC(=O)[O-])CC2)CCOCC1 ZINC001594035831 1016954298 /nfs/dbraw/zinc/95/42/98/1016954298.db2.gz BFDUKLGGZXPIDU-UHFFFAOYSA-N -1 0 320.411 -0.165 20 0 DBADRM C[C@@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)Cc1ncccc1F ZINC001420460005 1005267110 /nfs/dbraw/zinc/26/71/10/1005267110.db2.gz YJDNOHQVNLRGEI-QMMMGPOBSA-N -1 0 308.317 -0.119 20 0 DBADRM C[C@]1(c2ccc(C(=O)N[C@@H](CF)C(=O)[O-])cc2)NC(=O)NC1=O ZINC001594071455 1016955075 /nfs/dbraw/zinc/95/50/75/1016955075.db2.gz CMEDXOICWFAXLI-LKFCYVNXSA-N -1 0 323.280 -0.106 20 0 DBADRM C[C@@]1(CO)C[C@@H](O)CN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594032000 1016949308 /nfs/dbraw/zinc/94/93/08/1016949308.db2.gz KIYDZDRUTQBBNQ-OTYXRUKQSA-N -1 0 309.322 -0.464 20 0 DBADRM CC1=C(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)S(=O)(=O)CCO1 ZINC001594092495 1016959016 /nfs/dbraw/zinc/95/90/16/1016959016.db2.gz UMFMSODKPGNXFY-APPZFPTMSA-N -1 0 319.335 -0.637 20 0 DBADRM O=C(C[C@@H]1CCOC1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001420515318 1005286947 /nfs/dbraw/zinc/28/69/47/1005286947.db2.gz IJUFFHHPOCQZSD-QWRGUYRKSA-N -1 0 309.370 -0.125 20 0 DBADRM COC(=O)c1cc(C2CN(C(=O)c3c[n-]ncc3=O)C2)[nH]n1 ZINC001420525063 1005290976 /nfs/dbraw/zinc/29/09/76/1005290976.db2.gz XHWMZPGIWTYANJ-UHFFFAOYSA-N -1 0 303.278 -0.069 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001594125021 1016962641 /nfs/dbraw/zinc/96/26/41/1016962641.db2.gz GMJMTAKOPXCEBW-ZETCQYMHSA-N -1 0 302.308 -0.171 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1ccc(=O)[nH]n1 ZINC001420527620 1005293034 /nfs/dbraw/zinc/29/30/34/1005293034.db2.gz KPALECGIZKTDBV-SSDOTTSWSA-N -1 0 307.314 -0.744 20 0 DBADRM C[C@@H]1C(=O)NCCN1S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001594130276 1016960465 /nfs/dbraw/zinc/96/04/65/1016960465.db2.gz QFUWFLFDTVJYEN-OPRDCNLKSA-N -1 0 304.368 -0.220 20 0 DBADRM COc1cccc([C@@H](O)C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC001594124196 1016960656 /nfs/dbraw/zinc/96/06/56/1016960656.db2.gz RSCYIUIONRWCCE-WCQYABFASA-N -1 0 323.301 -0.043 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001594129198 1016962744 /nfs/dbraw/zinc/96/27/44/1016962744.db2.gz CMBIJJZNUYXICW-SSDOTTSWSA-N -1 0 323.280 -0.191 20 0 DBADRM COc1cccc2c1CN(C(=O)C(=O)NCCOCC(=O)[O-])C2 ZINC001594137212 1016961143 /nfs/dbraw/zinc/96/11/43/1016961143.db2.gz JFBRZRFCLOGSHS-UHFFFAOYSA-N -1 0 322.317 -0.245 20 0 DBADRM C[C@H](CN(C)Cc1nccs1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001420592178 1005315988 /nfs/dbraw/zinc/31/59/88/1005315988.db2.gz GFZIGFKSJWXKLU-SSDOTTSWSA-N -1 0 324.366 -0.010 20 0 DBADRM C[C@]1(c2ccc(C(=O)N[C@H](CF)C(=O)[O-])cc2)NC(=O)NC1=O ZINC001594071458 1016955644 /nfs/dbraw/zinc/95/56/44/1016955644.db2.gz CMEDXOICWFAXLI-YMTOWFKASA-N -1 0 323.280 -0.106 20 0 DBADRM C[C@]1(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)CCOC1=O ZINC001594065995 1016955943 /nfs/dbraw/zinc/95/59/43/1016955943.db2.gz KXEHMHBMLYGMBV-NSHDSACASA-N -1 0 300.292 -0.236 20 0 DBADRM C[C@@]12CN(C(=O)c3csc(C(=O)[O-])n3)C[C@@]1(C)C(=O)NC2=O ZINC001594087448 1016956242 /nfs/dbraw/zinc/95/62/42/1016956242.db2.gz GZXCSQUKJNFGTP-STQMWFEESA-N -1 0 323.330 -0.034 20 0 DBADRM C[C@]1(NS(=O)(=O)[C@@H]2COC[C@H]2O)CCCC[C@@H]1C(=O)[O-] ZINC001594062321 1016956373 /nfs/dbraw/zinc/95/63/73/1016956373.db2.gz ZLJYXUUUMIRPHE-BFLSOPEQSA-N -1 0 307.368 -0.301 20 0 DBADRM C[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)C2 ZINC001594087523 1016956501 /nfs/dbraw/zinc/95/65/01/1016956501.db2.gz HYTNWAUPFBRKKC-HFAKWTLXSA-N -1 0 308.334 -0.229 20 0 DBADRM Cc1c(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)nnn1C ZINC001420648009 1005330180 /nfs/dbraw/zinc/33/01/80/1005330180.db2.gz WHHKTXVSIVSTCL-UHFFFAOYSA-N -1 0 320.357 -0.658 20 0 DBADRM C[C@]12COC[C@@H]1CN(C(=O)C(=O)N1CCC[C@H]1CC(=O)[O-])C2 ZINC001594087791 1016957061 /nfs/dbraw/zinc/95/70/61/1016957061.db2.gz MKNLTONFSJEMRZ-PGUXBMHVSA-N -1 0 310.350 -0.053 20 0 DBADRM CC1=C(C(=O)[O-])C[C@@H](CN(C)Cc2nnc3n2CCNC3=O)O1 ZINC001594100493 1016958282 /nfs/dbraw/zinc/95/82/82/1016958282.db2.gz QECBXZSPSXPKOP-VIFPVBQESA-N -1 0 321.337 -0.399 20 0 DBADRM COc1cccc([S@](=O)CC(=O)OCC(=O)C(=O)[O-])c1 ZINC001594135747 1016962571 /nfs/dbraw/zinc/96/25/71/1016962571.db2.gz SRXRYFVLXQPNNX-HXUWFJFHSA-N -1 0 300.288 0.000 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@H](CCCO)C1 ZINC001594138080 1016965541 /nfs/dbraw/zinc/96/55/41/1016965541.db2.gz GVIXFCUMLYIGHT-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001594139117 1016965807 /nfs/dbraw/zinc/96/58/07/1016965807.db2.gz ROINDFPYGNUMCX-QCNOEVLYSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCOc1cccnc1 ZINC001594139104 1016965889 /nfs/dbraw/zinc/96/58/89/1016965889.db2.gz RNGQTBFYWFFJSG-CMPLNLGQSA-N -1 0 321.333 -0.102 20 0 DBADRM COc1cnc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])nc1 ZINC001594152732 1016966960 /nfs/dbraw/zinc/96/69/60/1016966960.db2.gz FQVJIGHHPFVSMS-QMMMGPOBSA-N -1 0 310.310 -0.463 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001594145600 1016967278 /nfs/dbraw/zinc/96/72/78/1016967278.db2.gz UBHAOHJBHLBCJS-PTRXPTGYSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001594142257 1016967362 /nfs/dbraw/zinc/96/73/62/1016967362.db2.gz RFZKJLZTNFCWPX-WTMYBKBASA-N -1 0 308.334 -0.400 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCCOCCS(C)(=O)=O ZINC001594150115 1016967466 /nfs/dbraw/zinc/96/74/66/1016967466.db2.gz QYRGJYPVOAWMHF-VHSXEESVSA-N -1 0 322.383 -0.448 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCc1nnc2n1CCOC2 ZINC001594153116 1016967776 /nfs/dbraw/zinc/96/77/76/1016967776.db2.gz KXAILAXOLJHAKS-IUCAKERBSA-N -1 0 309.326 -0.187 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CNC(=O)c1ncccc1O ZINC001594146928 1016968139 /nfs/dbraw/zinc/96/81/39/1016968139.db2.gz IGYVVWMTHMANSE-RKDXNWHRSA-N -1 0 307.306 -0.161 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1nnc2n1CCNC2=O ZINC001594154073 1016968204 /nfs/dbraw/zinc/96/82/04/1016968204.db2.gz TXPVFIVLVRGRCP-JGVFFNPUSA-N -1 0 322.325 -0.974 20 0 DBADRM COc1ccnc(N2CCN(C(=O)[C@@H](OC)C(=O)[O-])CC2)n1 ZINC001594150309 1016968386 /nfs/dbraw/zinc/96/83/86/1016968386.db2.gz HELVETIOJVIKRZ-SNVBAGLBSA-N -1 0 310.310 -0.767 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1nnc2n1CCOC2 ZINC001594153114 1016968657 /nfs/dbraw/zinc/96/86/57/1016968657.db2.gz KXAILAXOLJHAKS-DTWKUNHWSA-N -1 0 309.326 -0.187 20 0 DBADRM COc1ncncc1NC(=O)NCCOCCOCC(=O)[O-] ZINC001594159192 1016970223 /nfs/dbraw/zinc/97/02/23/1016970223.db2.gz HQFFXFDNGKLDGX-UHFFFAOYSA-N -1 0 314.298 -0.276 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001594162012 1016970255 /nfs/dbraw/zinc/97/02/55/1016970255.db2.gz VSNBSGUNXYIECA-RKDXNWHRSA-N -1 0 324.337 -0.064 20 0 DBADRM COc1nccc(NC(=O)C(=O)N([C@@H](C)C(=O)[O-])C2CC2)n1 ZINC001594160386 1016970744 /nfs/dbraw/zinc/97/07/44/1016970744.db2.gz FHIGCIRXDIOKKV-ZETCQYMHSA-N -1 0 308.294 -0.112 20 0 DBADRM COc1cncc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC001594155275 1016971134 /nfs/dbraw/zinc/97/11/34/1016971134.db2.gz XEZCIJDYNHPIIT-UHFFFAOYSA-N -1 0 308.294 -0.205 20 0 DBADRM COc1cncc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)n1 ZINC001594155208 1016971188 /nfs/dbraw/zinc/97/11/88/1016971188.db2.gz UPXAJOPQXJXASY-RKDXNWHRSA-N -1 0 322.321 -0.007 20 0 DBADRM CS(=O)(=O)C1(C(=O)Nc2ncn(CC(=O)[O-])n2)CCCC1 ZINC001594162274 1016971212 /nfs/dbraw/zinc/97/12/12/1016971212.db2.gz NGPLGKQYZZZXQU-UHFFFAOYSA-N -1 0 316.339 -0.341 20 0 DBADRM COc1cncc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC001594155015 1016971305 /nfs/dbraw/zinc/97/13/05/1016971305.db2.gz NWPRWIRECUZSJO-IUCAKERBSA-N -1 0 322.321 -0.007 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001594163591 1016971341 /nfs/dbraw/zinc/97/13/41/1016971341.db2.gz GHKLQMMEYYZUGJ-LBPRGKRZSA-N -1 0 305.352 -0.439 20 0 DBADRM COc1cncc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])n1 ZINC001594155318 1016971356 /nfs/dbraw/zinc/97/13/56/1016971356.db2.gz VOSPCKYJSCNRKZ-QMMMGPOBSA-N -1 0 310.310 -0.463 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC001594156641 1016971869 /nfs/dbraw/zinc/97/18/69/1016971869.db2.gz NRDLHFACPSBUGA-DTWKUNHWSA-N -1 0 324.341 -0.307 20 0 DBADRM CS(=O)(=O)C1(C(=O)NCCCCC(=O)[O-])CCOCC1 ZINC001594162942 1016971910 /nfs/dbraw/zinc/97/19/10/1016971910.db2.gz ZSVPVCIKGDPPPW-UHFFFAOYSA-N -1 0 307.368 -0.049 20 0 DBADRM CS(=O)(=O)C1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001594164617 1016973032 /nfs/dbraw/zinc/97/30/32/1016973032.db2.gz UTJYGEJPZNLJND-VIFPVBQESA-N -1 0 304.368 -0.614 20 0 DBADRM CS(=O)(=O)CC1(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)COC1 ZINC001594163692 1016974071 /nfs/dbraw/zinc/97/40/71/1016974071.db2.gz JNFRUFPNWASWEH-DTWKUNHWSA-N -1 0 305.352 -0.583 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001594164520 1016974107 /nfs/dbraw/zinc/97/41/07/1016974107.db2.gz SUAHMHJRRXTXHQ-PSASIEDQSA-N -1 0 318.351 -0.358 20 0 DBADRM CS(=O)(=O)CCCCCNC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001594165718 1016974296 /nfs/dbraw/zinc/97/42/96/1016974296.db2.gz ZXCDPHCXMKTEQO-LBPRGKRZSA-N -1 0 307.368 -0.049 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594164331 1016974385 /nfs/dbraw/zinc/97/43/85/1016974385.db2.gz SGXUAWTYAHLNOV-QIUOEGRZSA-N -1 0 317.319 -0.487 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594163666 1016974469 /nfs/dbraw/zinc/97/44/69/1016974469.db2.gz IQDGRAPMQWQFRV-IONNQARKSA-N -1 0 304.324 -0.891 20 0 DBADRM CS(=O)(=O)CC1(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])COC1 ZINC001594163629 1016974515 /nfs/dbraw/zinc/97/45/15/1016974515.db2.gz HNAJULYRNOJIEX-BDAKNGLRSA-N -1 0 305.352 -0.583 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001594164121 1016974622 /nfs/dbraw/zinc/97/46/22/1016974622.db2.gz RXMWOOIQEXKXQL-LPEHRKFASA-N -1 0 304.368 -0.074 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC001594168722 1016975420 /nfs/dbraw/zinc/97/54/20/1016975420.db2.gz XATHDXCLSYAVPE-JTQLQIEISA-N -1 0 319.383 -0.616 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001594167611 1016975524 /nfs/dbraw/zinc/97/55/24/1016975524.db2.gz AVTXYHGUSULHNQ-UHFFFAOYSA-N -1 0 313.335 -0.599 20 0 DBADRM CS(=O)(=O)Cc1noc(NC(=O)C2(C(=O)[O-])CC=CC2)n1 ZINC001594168655 1016975578 /nfs/dbraw/zinc/97/55/78/1016975578.db2.gz VAMRTKAKFYQGJL-UHFFFAOYSA-N -1 0 315.307 -0.026 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)COCC(=O)[O-] ZINC001594169840 1016975965 /nfs/dbraw/zinc/97/59/65/1016975965.db2.gz BRHUBQQAIDYSHV-NXEZZACHSA-N -1 0 322.383 -0.688 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001594170169 1016976037 /nfs/dbraw/zinc/97/60/37/1016976037.db2.gz UHXMOWXAPXECFC-BBBLOLIVSA-N -1 0 319.383 -0.427 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)C1 ZINC001594167904 1016976207 /nfs/dbraw/zinc/97/62/07/1016976207.db2.gz JEUJMZWGXVMXAZ-UHFFFAOYSA-N -1 0 314.319 -0.080 20 0 DBADRM CS(=O)(=O)Cc1nc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)co1 ZINC001594167992 1016976638 /nfs/dbraw/zinc/97/66/38/1016976638.db2.gz MPSLUZCREBEFMX-MRVPVSSYSA-N -1 0 318.307 -0.855 20 0 DBADRM CS(=O)(=O)NCCNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594169591 1016977053 /nfs/dbraw/zinc/97/70/53/1016977053.db2.gz XIKIQPKSOMDCKN-UHFFFAOYSA-N -1 0 302.312 -0.550 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1c1nnnn1CC(=O)N1CCCCC1 ZINC001594172951 1016978102 /nfs/dbraw/zinc/97/81/02/1016978102.db2.gz IWXFYBMCIKDZJB-WDEREUQCSA-N -1 0 322.369 -0.015 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001594170532 1016979285 /nfs/dbraw/zinc/97/92/85/1016979285.db2.gz PRIFOXQWTVHDLW-OPRDCNLKSA-N -1 0 319.383 -0.427 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cn1 ZINC001594174460 1016979572 /nfs/dbraw/zinc/97/95/72/1016979572.db2.gz WIHRLGCMRARLKV-MRVPVSSYSA-N -1 0 313.291 -0.347 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)C1 ZINC001594171535 1016979615 /nfs/dbraw/zinc/97/96/15/1016979615.db2.gz PHDXSSKWFOAORT-CHWFTXMASA-N -1 0 319.379 -0.052 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594177719 1016979655 /nfs/dbraw/zinc/97/96/55/1016979655.db2.gz CCLJDKMZIQHASI-NRFANRHFSA-N -1 0 312.347 -0.504 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1nnnn1CCO[C@@H]1CCOC1 ZINC001594175037 1016980120 /nfs/dbraw/zinc/98/01/20/1016980120.db2.gz VALWIUZUCWLETB-MXWKQRLJSA-N -1 0 311.342 -0.222 20 0 DBADRM CSC[C@@H](CCO)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001594184981 1016980730 /nfs/dbraw/zinc/98/07/30/1016980730.db2.gz TZPXORYRCUTBET-BDAKNGLRSA-N -1 0 312.413 -0.516 20 0 DBADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001594179055 1016981957 /nfs/dbraw/zinc/98/19/57/1016981957.db2.gz JTPNRCKBYHPVAN-FCIBLNGTSA-N -1 0 316.379 -0.809 20 0 DBADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594179993 1016982029 /nfs/dbraw/zinc/98/20/29/1016982029.db2.gz UUHNLSIGJKOJAR-WJISLZRHSA-N -1 0 322.364 -0.097 20 0 DBADRM CS[C@H]1CCC[C@H](NC(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC001594182055 1016982968 /nfs/dbraw/zinc/98/29/68/1016982968.db2.gz ZPXVPRIQBJADOQ-UWVGGRQHSA-N -1 0 318.395 -0.006 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])[C@@H](C)O1 ZINC001594201227 1016984386 /nfs/dbraw/zinc/98/43/86/1016984386.db2.gz CYSUONSKYMZJHW-ZNSHCXBVSA-N -1 0 319.379 -0.100 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001594198288 1016984629 /nfs/dbraw/zinc/98/46/29/1016984629.db2.gz GITFNFFXMKNJMU-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC001594225087 1016987677 /nfs/dbraw/zinc/98/76/77/1016987677.db2.gz WBKAWTLXJYASJD-BMIGLBTASA-N -1 0 311.382 -0.234 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1nccn1S(=O)(=O)N(C)C ZINC001594220534 1016987714 /nfs/dbraw/zinc/98/77/14/1016987714.db2.gz XRGRORCUBFCDAK-NXEZZACHSA-N -1 0 316.383 -0.025 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC001594225760 1016987794 /nfs/dbraw/zinc/98/77/94/1016987794.db2.gz SFNMKGZNCJXWMV-IOWHJBRQSA-N -1 0 323.349 -0.066 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC001594223823 1016987937 /nfs/dbraw/zinc/98/79/37/1016987937.db2.gz PSRDUGZWHKFVNZ-NRUUGDAUSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCS(=O)(=O)N1CCCC1 ZINC001594225868 1016988014 /nfs/dbraw/zinc/98/80/14/1016988014.db2.gz AIRNRTTWKUUTSW-SKDRFNHKSA-N -1 0 304.368 -0.361 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001594223911 1016988049 /nfs/dbraw/zinc/98/80/49/1016988049.db2.gz WAPIVYDFRMWKQY-WQAKAFBOSA-N -1 0 317.363 -0.487 20 0 DBADRM C[C@@]12C(=O)N(CN3CCO[C@@H](C(=O)[O-])C3)C(=O)[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC001594230793 1016988351 /nfs/dbraw/zinc/98/83/51/1016988351.db2.gz ANYWCTCOCOJDLI-XMQPUEPBSA-N -1 0 320.345 -0.074 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1C[C@@H](C)C[C@H](CO)C1)C(=O)[O-] ZINC001594244179 1016989363 /nfs/dbraw/zinc/98/93/63/1016989363.db2.gz UPCLOGDGUKEDHJ-NAKRPEOUSA-N -1 0 315.370 -0.376 20 0 DBADRM C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])C1 ZINC001594243768 1016989507 /nfs/dbraw/zinc/98/95/07/1016989507.db2.gz POIQRDMBWMDTOH-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H](O)C1CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001594242167 1016990225 /nfs/dbraw/zinc/99/02/25/1016990225.db2.gz AEPHHXCOUVPDEI-QMMMGPOBSA-N -1 0 305.352 -0.895 20 0 DBADRM C[C@H](NC(=O)Nc1ccc2c(c1)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC001594238527 1016990414 /nfs/dbraw/zinc/99/04/14/1016990414.db2.gz GTUSNFREPWJKBJ-ZETCQYMHSA-N -1 0 320.305 -0.168 20 0 DBADRM C[C@@H]1[C@H](NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CCS1(=O)=O ZINC001594231253 1016990485 /nfs/dbraw/zinc/99/04/85/1016990485.db2.gz LXUDGNYXSVLZCN-VPOLOUISSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@@H]1C[C@H](C)CN1C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001594231843 1016991112 /nfs/dbraw/zinc/99/11/12/1016991112.db2.gz VYYNQMHVEOFNHP-VHSXEESVSA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@H](O)C1CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001594241773 1016991344 /nfs/dbraw/zinc/99/13/44/1016991344.db2.gz MDNUBXZHKDYSNK-CMPLNLGQSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)[C@H](C)O1 ZINC001594249002 1016992201 /nfs/dbraw/zinc/99/22/01/1016992201.db2.gz ILIQZQUSGZEAOO-NMUGVGKYSA-N -1 0 314.338 -0.631 20 0 DBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NCCOCC(=O)[O-] ZINC001594249455 1016992670 /nfs/dbraw/zinc/99/26/70/1016992670.db2.gz HWLKXFPWNZTOLC-NEPJUHHUSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@]12CN(C(=O)[C@@]3(C(=O)[O-])CCCO3)C[C@H]1CS(=O)(=O)C2 ZINC001594247967 1016992692 /nfs/dbraw/zinc/99/26/92/1016992692.db2.gz YHOCSHUPXCDRJL-ZWKOPEQDSA-N -1 0 317.363 -0.487 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1n[nH]cc1C(=O)[O-] ZINC001594250511 1016993226 /nfs/dbraw/zinc/99/32/26/1016993226.db2.gz ZSOPQDSLOVZSHM-UHFFFAOYSA-N -1 0 316.277 -0.066 20 0 DBADRM Cc1nc[nH]c1CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594251521 1016993636 /nfs/dbraw/zinc/99/36/36/1016993636.db2.gz QLJAOQDPGWDHSV-UHFFFAOYSA-N -1 0 315.351 -0.386 20 0 DBADRM Cc1c(C(=O)NC[C@](C)(O)C(=O)[O-])nnn1Cc1ccncc1 ZINC001594257144 1016993785 /nfs/dbraw/zinc/99/37/85/1016993785.db2.gz CWDJJEZZLVVIMT-AWEZNQCLSA-N -1 0 319.321 -0.405 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CS1 ZINC001594251404 1016994341 /nfs/dbraw/zinc/99/43/41/1016994341.db2.gz VXZMOWHAAJYPBB-IMSYWVGJSA-N -1 0 316.379 -0.709 20 0 DBADRM C[C@@H]1CC[C@H](CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1 ZINC001594305236 1016999440 /nfs/dbraw/zinc/99/94/40/1016999440.db2.gz KOHSPCBNYKDHSO-KXNHARMFSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001594376578 1016999771 /nfs/dbraw/zinc/99/97/71/1016999771.db2.gz VHEAANYZVLMGTH-CMPLNLGQSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)CC(N)=O)CN1c1ccnc(C(=O)[O-])n1 ZINC001594314691 1016999799 /nfs/dbraw/zinc/99/97/99/1016999799.db2.gz QXBMMYUMZNZULG-IUCAKERBSA-N -1 0 321.337 -0.476 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)C(=O)[O-])cc1 ZINC001594377124 1017000097 /nfs/dbraw/zinc/00/00/97/1017000097.db2.gz DZARQWOHMOKFRP-UHFFFAOYSA-N -1 0 315.303 -0.530 20 0 DBADRM C[C@@H]1CCC[C@H](NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1 ZINC001594350595 1017000705 /nfs/dbraw/zinc/00/07/05/1017000705.db2.gz RNWXBQAVBASINN-WYUUTHIRSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)CC2(C(=O)[O-])CC2)CC1=O ZINC001594276918 1016995868 /nfs/dbraw/zinc/99/58/68/1016995868.db2.gz KHQOWOJFTDYEAZ-OPRDCNLKSA-N -1 0 316.379 -0.220 20 0 DBADRM C[C@@H]1C[C@H]1CNC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001594278094 1016996245 /nfs/dbraw/zinc/99/62/45/1016996245.db2.gz LOBOHHPFRMPEGX-KXUCPTDWSA-N -1 0 321.337 -0.478 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)nnn1C ZINC001594263497 1016996381 /nfs/dbraw/zinc/99/63/81/1016996381.db2.gz XWKLTTOTPUNBAO-VXNVDRBHSA-N -1 0 309.326 -0.369 20 0 DBADRM C[C@@H]1C[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])c2ncnn21 ZINC001594264350 1016996391 /nfs/dbraw/zinc/99/63/91/1016996391.db2.gz OVLABXGNAHUTAO-IYSWYEEDSA-N -1 0 312.311 -0.316 20 0 DBADRM C[C@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cn2C)C(=O)O1 ZINC001594264426 1016996605 /nfs/dbraw/zinc/99/66/05/1016996605.db2.gz QVUISQLOFQMGTG-XPUUQOCRSA-N -1 0 302.308 -0.294 20 0 DBADRM C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC001594259235 1016996823 /nfs/dbraw/zinc/99/68/23/1016996823.db2.gz BSWACMQRKPPXBZ-BBHBSTQDSA-N -1 0 306.322 -0.249 20 0 DBADRM Cc1c(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)nnn1C ZINC001594264776 1016997168 /nfs/dbraw/zinc/99/71/68/1016997168.db2.gz QOXPNKPBHULPAP-UHFFFAOYSA-N -1 0 316.339 -0.658 20 0 DBADRM Cc1c(CN(C)C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])cnn1C ZINC001594261838 1016997189 /nfs/dbraw/zinc/99/71/89/1016997189.db2.gz KAKHISJHJXBDSU-VIFPVBQESA-N -1 0 310.354 -0.134 20 0 DBADRM C[C@H]1C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])c2ncnn21 ZINC001594263547 1016997461 /nfs/dbraw/zinc/99/74/61/1016997461.db2.gz AJSBEWCDGSLGFD-YUMQZZPRSA-N -1 0 303.344 -0.475 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1=O ZINC001594277405 1016997760 /nfs/dbraw/zinc/99/77/60/1016997760.db2.gz PPZOSTQMAWLOKS-XISDXQQDSA-N -1 0 310.350 -0.010 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2cnc(C(=O)[O-])cn2)CCS1(=O)=O ZINC001594262781 1016997887 /nfs/dbraw/zinc/99/78/87/1016997887.db2.gz YZLQSKMPEPNPEC-JGVFFNPUSA-N -1 0 313.335 -0.130 20 0 DBADRM Cc1ccc(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)nn1 ZINC001594376735 1017000935 /nfs/dbraw/zinc/00/09/35/1017000935.db2.gz VYQDBGBKMREEFJ-CABZTGNLSA-N -1 0 313.335 -0.493 20 0 DBADRM C[C@@H]1CCCc2nc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cn21 ZINC001594389080 1017001697 /nfs/dbraw/zinc/00/16/97/1017001697.db2.gz QDYICJQKCCFRMI-HTQZYQBOSA-N -1 0 303.340 -0.496 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[C@@H]1CCO ZINC001594377721 1017002462 /nfs/dbraw/zinc/00/24/62/1017002462.db2.gz CJJUPUVHPKGDCC-NNYUYHANSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1CCCN1C(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001594388963 1017002700 /nfs/dbraw/zinc/00/27/00/1017002700.db2.gz KTSVUEZTYMSCTF-JRPNMDOOSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)[C@@H]1CO ZINC001594392268 1017002833 /nfs/dbraw/zinc/00/28/33/1017002833.db2.gz DJALMBSDQBECAO-IRCOFANPSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C[C@H]1CO ZINC001594392660 1017002862 /nfs/dbraw/zinc/00/28/62/1017002862.db2.gz IRZQTEIQHUFNEN-ZYGVAYEYSA-N -1 0 312.366 -0.167 20 0 DBADRM Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001594378496 1017002904 /nfs/dbraw/zinc/00/29/04/1017002904.db2.gz FILKKAZYICSFHR-LBPRGKRZSA-N -1 0 316.335 -0.792 20 0 DBADRM C[C@H]1CCCN1C(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001594389656 1017003112 /nfs/dbraw/zinc/00/31/12/1017003112.db2.gz STNXZNJUUHDESL-XPTSAGLGSA-N -1 0 309.322 -0.171 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H]1CO ZINC001594387217 1017003351 /nfs/dbraw/zinc/00/33/51/1017003351.db2.gz BDROJFIBBIGWQA-FIQHERPVSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001594377883 1017003713 /nfs/dbraw/zinc/00/37/13/1017003713.db2.gz DKSYMPKYWZEQCK-VIFPVBQESA-N -1 0 309.326 -0.649 20 0 DBADRM Cc1cccc(CCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC001594410374 1017005517 /nfs/dbraw/zinc/00/55/17/1017005517.db2.gz YZLFAKFYZRZAJY-LBPRGKRZSA-N -1 0 321.333 -0.639 20 0 DBADRM CC1CCN(C(=O)CN2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001594400797 1017007108 /nfs/dbraw/zinc/00/71/08/1017007108.db2.gz MBKVMCTXCMFPAB-CHWSQXEVSA-N -1 0 323.393 -0.234 20 0 DBADRM C[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](C(=O)[O-])C1 ZINC001594401082 1017007330 /nfs/dbraw/zinc/00/73/30/1017007330.db2.gz SFKFXLAZRCMEKX-NXEZZACHSA-N -1 0 309.322 -0.362 20 0 DBADRM Cc1cccc2c(=O)n(CC(=O)OCC(=O)C(=O)[O-])cnc12 ZINC001594410929 1017007702 /nfs/dbraw/zinc/00/77/02/1017007702.db2.gz CAQAQZKYVWXILC-UHFFFAOYSA-N -1 0 304.258 -0.098 20 0 DBADRM Cc1ccn2ncc(C(=O)O[C@H]3CCN(CC(=O)[O-])C3=O)c2n1 ZINC001594422379 1017008496 /nfs/dbraw/zinc/00/84/96/1017008496.db2.gz IMFJUZKGCTYYDM-JTQLQIEISA-N -1 0 318.289 -0.120 20 0 DBADRM C[C@H]1CCN(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1=O ZINC001594423539 1017009251 /nfs/dbraw/zinc/00/92/51/1017009251.db2.gz YMXQDNCFQNELRI-VHSXEESVSA-N -1 0 304.368 -0.614 20 0 DBADRM C[C@@H]1CCN(CC(=O)N2CCC(C(N)=O)CC2)[C@@H](C(=O)[O-])C1 ZINC001594422847 1017009437 /nfs/dbraw/zinc/00/94/37/1017009437.db2.gz PBTPNUVMFOJSTI-ZYHUDNBSSA-N -1 0 311.382 -0.105 20 0 DBADRM C[C@@H]1CCN([C@H]2CCN(CCC(=O)[O-])C2=O)CC[S@@]1=O ZINC001594421777 1017009541 /nfs/dbraw/zinc/00/95/41/1017009541.db2.gz BCPVJDGKRYDUFQ-NLQQUQSOSA-N -1 0 302.396 -0.095 20 0 DBADRM Cc1cn2nnc(C(=O)N3CCO[C@H](C(=O)[O-])C3)c2c(=O)[nH]1 ZINC001594426774 1017009724 /nfs/dbraw/zinc/00/97/24/1017009724.db2.gz MPNHMMVWZHTMLK-ZETCQYMHSA-N -1 0 307.266 -0.936 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N[C@@H](CC2OCCO2)C(=O)[O-])C1 ZINC001594429486 1017010152 /nfs/dbraw/zinc/01/01/52/1017010152.db2.gz ZJKZIOUVJWIECW-BDAKNGLRSA-N -1 0 308.356 -0.621 20 0 DBADRM C[C@@H]1CCN(CC(=O)N2CCC(C(N)=O)CC2)[C@H](C(=O)[O-])C1 ZINC001594422844 1017010232 /nfs/dbraw/zinc/01/02/32/1017010232.db2.gz PBTPNUVMFOJSTI-PWSUYJOCSA-N -1 0 311.382 -0.105 20 0 DBADRM Cc1cn2c(n1)CN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)CC2 ZINC001594428447 1017010345 /nfs/dbraw/zinc/01/03/45/1017010345.db2.gz WFGBYMPKDYYCQJ-JTQLQIEISA-N -1 0 306.322 -0.533 20 0 DBADRM Cc1cnn(-c2c(C(=O)NC[C@@](C)(O)C(=O)[O-])c(C)nn2C)c1 ZINC001594433621 1017010375 /nfs/dbraw/zinc/01/03/75/1017010375.db2.gz CWRMTAMGBHVCTO-CQSZACIVSA-N -1 0 321.337 -0.212 20 0 DBADRM Cc1cnc(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)nc1 ZINC001594429070 1017010565 /nfs/dbraw/zinc/01/05/65/1017010565.db2.gz VIHRTCDJGMIKKU-JTQLQIEISA-N -1 0 306.322 -0.276 20 0 DBADRM Cc1[nH]nc(Cl)c1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594441298 1017011454 /nfs/dbraw/zinc/01/14/54/1017011454.db2.gz DKABKXFNHFTVOK-ZCFIWIBFSA-N -1 0 321.742 -0.305 20 0 DBADRM Cc1nc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(C)o1 ZINC001594446315 1017012152 /nfs/dbraw/zinc/01/21/52/1017012152.db2.gz GDCKABHHERIEQG-MRVPVSSYSA-N -1 0 302.308 -0.385 20 0 DBADRM Cc1nc(SCC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n[nH]1 ZINC001594442458 1017012228 /nfs/dbraw/zinc/01/22/28/1017012228.db2.gz XBHWLVMHIQUJKB-PRHODGIISA-N -1 0 312.351 -0.235 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001594438894 1017012323 /nfs/dbraw/zinc/01/23/23/1017012323.db2.gz IRFUGJPDIXAQLJ-DTWKUNHWSA-N -1 0 304.368 -0.315 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C[C@@]1(C)CO ZINC001594454256 1017016448 /nfs/dbraw/zinc/01/64/48/1017016448.db2.gz MMYWOXCJANKUMW-BMIGLBTASA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCCO1 ZINC001594458344 1017019113 /nfs/dbraw/zinc/01/91/13/1017019113.db2.gz NTDBAJJAOWGDEI-DDIVZENXSA-N -1 0 310.350 -0.007 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N3CCC[C@H]3C(=O)[O-])nn2)no1 ZINC001594456949 1017017722 /nfs/dbraw/zinc/01/77/22/1017017722.db2.gz BHGSRFGJJQDLDS-VIFPVBQESA-N -1 0 306.282 -0.293 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])C[C@]2(CCOC2)O1 ZINC001594458810 1017018686 /nfs/dbraw/zinc/01/86/86/1017018686.db2.gz REHJLQIMHAGXRG-YGRLFVJLSA-N -1 0 314.338 -0.626 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1occc1C(=O)[O-] ZINC001594439850 1017013087 /nfs/dbraw/zinc/01/30/87/1017013087.db2.gz XCTDESLMIPSFGY-SVRRBLITSA-N -1 0 302.308 -0.219 20 0 DBADRM Cc1nc2ccccc2c(=O)n1CC(=O)OCC(=O)C(=O)[O-] ZINC001594464403 1017018759 /nfs/dbraw/zinc/01/87/59/1017018759.db2.gz FCZHIIMNRHXFAM-UHFFFAOYSA-N -1 0 304.258 -0.098 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC[C@H]1O ZINC001594455510 1017014211 /nfs/dbraw/zinc/01/42/11/1017014211.db2.gz UQFBWHAAZGZMQP-OVZMXSCWSA-N -1 0 324.377 -0.071 20 0 DBADRM Cc1nc(CN2CCN(C(=O)[C@H]3CC(C(=O)[O-])=NO3)CC2)no1 ZINC001594454426 1017014992 /nfs/dbraw/zinc/01/49/92/1017014992.db2.gz YYWXURNDHJMGOF-SNVBAGLBSA-N -1 0 323.309 -0.748 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)c2ccccc2O1 ZINC001594453375 1017015236 /nfs/dbraw/zinc/01/52/36/1017015236.db2.gz GWFHQFHCIQAJFN-SECBINFHSA-N -1 0 320.301 -0.542 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C[C@H](C2CC2)O1 ZINC001594457702 1017019093 /nfs/dbraw/zinc/01/90/93/1017019093.db2.gz IZRVKMQMGXENFX-FKTZTGRPSA-N -1 0 302.302 -0.449 20 0 DBADRM C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001594462020 1017019531 /nfs/dbraw/zinc/01/95/31/1017019531.db2.gz CFJQEWSWDQUWMB-IUCAKERBSA-N -1 0 321.337 -0.443 20 0 DBADRM Cc1[nH]c(=O)ccc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594460431 1017019876 /nfs/dbraw/zinc/01/98/76/1017019876.db2.gz QJTUHBRWDLYTIP-VIFPVBQESA-N -1 0 314.319 -0.581 20 0 DBADRM Cc1ncc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1C ZINC001594468994 1017020595 /nfs/dbraw/zinc/02/05/95/1017020595.db2.gz UJUIHXSAVKCXII-BXKDBHETSA-N -1 0 315.351 -0.550 20 0 DBADRM C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)CCN1CCC(=O)[O-] ZINC001594466216 1017022163 /nfs/dbraw/zinc/02/21/63/1017022163.db2.gz FNVCJZBRPLPVGX-SNVBAGLBSA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@H]1CN(C(=O)CN[C@@]2(C(=O)[O-])CCOC2)CC(C)(C)O1 ZINC001594469091 1017022628 /nfs/dbraw/zinc/02/26/28/1017022628.db2.gz SVUCORODKUNCKZ-HZMBPMFUSA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001594466800 1017023102 /nfs/dbraw/zinc/02/31/02/1017023102.db2.gz PVFAYUVCJPOBNI-PSASIEDQSA-N -1 0 321.337 -0.443 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](C)CC(=O)[O-] ZINC001594465543 1017023139 /nfs/dbraw/zinc/02/31/39/1017023139.db2.gz HWMMVKFSGRGJHY-LURJTMIESA-N -1 0 306.326 -0.155 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001440442332 1006129284 /nfs/dbraw/zinc/12/92/84/1006129284.db2.gz JLYIIHIVGZXBNA-VIFPVBQESA-N -1 0 312.374 -0.698 20 0 DBADRM Cc1nccn1C[C@H](C)CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001594474926 1017024412 /nfs/dbraw/zinc/02/44/12/1017024412.db2.gz HWFOCQIWBDJYDM-ZYHUDNBSSA-N -1 0 322.365 -0.123 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001594480364 1017024490 /nfs/dbraw/zinc/02/44/90/1017024490.db2.gz MKSHEPKAPPZABA-SECBINFHSA-N -1 0 323.305 -0.552 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@@]2(CCCOC2)O1 ZINC001594471530 1017024836 /nfs/dbraw/zinc/02/48/36/1017024836.db2.gz XTXBIXDVRKLUDA-IINYFYTJSA-N -1 0 324.337 -0.227 20 0 DBADRM C[C@@H]1CN(C(=O)NCCn2cc(C(=O)[O-])nn2)C[C@@]1(C)CO ZINC001594475606 1017025585 /nfs/dbraw/zinc/02/55/85/1017025585.db2.gz MMIVRIHYXZZFIG-RNCFNFMXSA-N -1 0 311.342 -0.364 20 0 DBADRM C[C@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001594507898 1017031433 /nfs/dbraw/zinc/03/14/33/1017031433.db2.gz ORCYAGSSWVZGNH-XVKPBYJWSA-N -1 0 314.367 -0.131 20 0 DBADRM C[C@@H]1CN(C(=O)Nc2ccn(CC(=O)[O-])n2)CCN1CCO ZINC001594482340 1017026932 /nfs/dbraw/zinc/02/69/32/1017026932.db2.gz NNBJCENTDYCBTO-SNVBAGLBSA-N -1 0 311.342 -0.502 20 0 DBADRM C[C@H]1CN(C(=O)c2ccn3nnnc3c2)CCN1CCC(=O)[O-] ZINC001594494553 1017027621 /nfs/dbraw/zinc/02/76/21/1017027621.db2.gz SEMPRNHPMRJSCJ-JTQLQIEISA-N -1 0 318.337 -0.255 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)o1 ZINC001594490932 1017028115 /nfs/dbraw/zinc/02/81/15/1017028115.db2.gz ARPFPLSTNPETPE-UHFFFAOYSA-N -1 0 305.250 -0.274 20 0 DBADRM Cc1nn(CC(=O)NCC(=O)[O-])c(C)c1[C@H]1COCCN1C ZINC001594487747 1017028238 /nfs/dbraw/zinc/02/82/38/1017028238.db2.gz YBOSNWVYXKJZSJ-LLVKDONJSA-N -1 0 310.354 -0.296 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)o1 ZINC001594490909 1017028629 /nfs/dbraw/zinc/02/86/29/1017028629.db2.gz UYNHDFIBAUWAQY-IONNQARKSA-N -1 0 310.310 -0.122 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])n1C ZINC001594491303 1017028639 /nfs/dbraw/zinc/02/86/39/1017028639.db2.gz QZWBEGSTIDPHCD-UHFFFAOYSA-N -1 0 318.293 -0.528 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)n1C ZINC001594491000 1017028655 /nfs/dbraw/zinc/02/86/55/1017028655.db2.gz GQLAMGVFUPDRRH-JTQLQIEISA-N -1 0 323.353 -0.547 20 0 DBADRM Cc1nnc(CN(C)C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)o1 ZINC001594491421 1017028871 /nfs/dbraw/zinc/02/88/71/1017028871.db2.gz ZBSDXLCJRBTHRF-VIFPVBQESA-N -1 0 310.310 -0.340 20 0 DBADRM O=C(c1cc[nH]c1)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001440542087 1006182746 /nfs/dbraw/zinc/18/27/46/1006182746.db2.gz AMGGNPRFFROSRL-AWEZNQCLSA-N -1 0 320.353 -0.405 20 0 DBADRM Cc1nnc(CN(C)C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)s1 ZINC001594491333 1017029025 /nfs/dbraw/zinc/02/90/25/1017029025.db2.gz SOTXLBKZRGZTMG-MRVPVSSYSA-N -1 0 312.351 -0.262 20 0 DBADRM Cc1nnc(CN(C)C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)s1 ZINC001594491334 1017029341 /nfs/dbraw/zinc/02/93/41/1017029341.db2.gz SOTXLBKZRGZTMG-QMMMGPOBSA-N -1 0 312.351 -0.262 20 0 DBADRM Cc1nnnn1-c1cccc(NC(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001594494150 1017029400 /nfs/dbraw/zinc/02/94/00/1017029400.db2.gz RFXTYBVRVANATH-ZDUSSCGKSA-N -1 0 320.309 -0.072 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)CCN1CCC(=O)[O-] ZINC001594492965 1017029902 /nfs/dbraw/zinc/02/99/02/1017029902.db2.gz LICNSLMYUZFPFO-VIFPVBQESA-N -1 0 309.322 -0.001 20 0 DBADRM Cc1nnc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])s1 ZINC001594490902 1017030024 /nfs/dbraw/zinc/03/00/24/1017030024.db2.gz UWARJRPQAQWHFM-ZCFIWIBFSA-N -1 0 305.337 -0.830 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC12CC2 ZINC001429083988 1006219498 /nfs/dbraw/zinc/21/94/98/1006219498.db2.gz AIBDGFSWMFRASC-HTQZYQBOSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(C)F ZINC001429086752 1006224628 /nfs/dbraw/zinc/22/46/28/1006224628.db2.gz PUKXJAGNSWEESA-SSDOTTSWSA-N -1 0 317.321 -0.552 20 0 DBADRM C[C@@H]1CN([C@@H]2CCN(CCC(=O)[O-])C2=O)C[C@H](C)[S@@]1=O ZINC001594507958 1017034027 /nfs/dbraw/zinc/03/40/27/1017034027.db2.gz PGELCTZEACJGKM-LREIFRQCSA-N -1 0 302.396 -0.097 20 0 DBADRM C[C@@H]1CN([C@@H]2CCCN(CCC(=O)[O-])C2=O)C[C@@H](CO)O1 ZINC001594509253 1017034424 /nfs/dbraw/zinc/03/44/24/1017034424.db2.gz XPXVEQPCMCFBET-GRYCIOLGSA-N -1 0 300.355 -0.466 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1C[C@@H](C)O[C@@H](CO)C1 ZINC001594499593 1017034496 /nfs/dbraw/zinc/03/44/96/1017034496.db2.gz OFQMEQOEHJDMLS-NQBHXWOUSA-N -1 0 314.382 -0.220 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc(C=O)n(C)n1 ZINC001594519872 1017037023 /nfs/dbraw/zinc/03/70/23/1017037023.db2.gz HUEKANCQNDBEFR-SNVBAGLBSA-N -1 0 308.338 -0.146 20 0 DBADRM C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001594520277 1017038634 /nfs/dbraw/zinc/03/86/34/1017038634.db2.gz PMNHZBZYEJUSDU-SECBINFHSA-N -1 0 324.337 -0.893 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2cncn2C)c1[O-] ZINC001429218704 1006292902 /nfs/dbraw/zinc/29/29/02/1006292902.db2.gz MGKIVKNDJWHSRV-UHFFFAOYSA-N -1 0 306.326 -0.341 20 0 DBADRM CN(CCN(C)C(=O)[C@]1(C)CCC(=O)NC1)Cc1n[nH]c(=O)[n-]1 ZINC001496766529 1017040586 /nfs/dbraw/zinc/04/05/86/1017040586.db2.gz FSICVTITENSJOU-CQSZACIVSA-N -1 0 324.385 -0.683 20 0 DBADRM C[C@H]1CN(CCNS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1 ZINC001594532154 1017040712 /nfs/dbraw/zinc/04/07/12/1017040712.db2.gz UUDKYTHDACUROT-QMMMGPOBSA-N -1 0 318.355 -0.893 20 0 DBADRM C[C@H]1CN(CCNC(=O)Nc2cc(C(=O)[O-])n(C)n2)CCO1 ZINC001594526589 1017042495 /nfs/dbraw/zinc/04/24/95/1017042495.db2.gz AANOUTOEKPEORH-VIFPVBQESA-N -1 0 311.342 -0.040 20 0 DBADRM C[C@H]1CN(CCc2cn(CC(=O)[O-])nn2)C[C@H](C)S1=O ZINC001594530838 1017042772 /nfs/dbraw/zinc/04/27/72/1017042772.db2.gz DNAROFZRXXCHCD-UWVGGRQHSA-N -1 0 300.384 -0.254 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)C[C@H]1CCOC1 ZINC001594524696 1017042987 /nfs/dbraw/zinc/04/29/87/1017042987.db2.gz CFLGLKAGZFZQJB-RYUDHWBXSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@H]1CN(CN(CCN2CCOCC2)CC(=O)[O-])C(=O)[C@H]1C ZINC001594532146 1017043280 /nfs/dbraw/zinc/04/32/80/1017043280.db2.gz UPZTUKARRPPPBO-STQMWFEESA-N -1 0 313.398 -0.223 20 0 DBADRM C[C@@H]1CN(CCNC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CCO1 ZINC001594528918 1017043403 /nfs/dbraw/zinc/04/34/03/1017043403.db2.gz ZSCZYGNRHPPHLG-WOPDTQHZSA-N -1 0 315.370 -0.409 20 0 DBADRM C[C@H](C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001429396373 1006384973 /nfs/dbraw/zinc/38/49/73/1006384973.db2.gz POFBVHQRSKGMBR-ZETCQYMHSA-N -1 0 309.326 -0.483 20 0 DBADRM CCC[C@@H](C)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429396410 1006386178 /nfs/dbraw/zinc/38/61/78/1006386178.db2.gz QMVISDZUGGQTEB-MRVPVSSYSA-N -1 0 311.342 -0.093 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001429403461 1006388936 /nfs/dbraw/zinc/38/89/36/1006388936.db2.gz ITDLJTFMWUVXTH-JZYVYDRUSA-N -1 0 323.353 -0.690 20 0 DBADRM CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001429412930 1006393270 /nfs/dbraw/zinc/39/32/70/1006393270.db2.gz YFMJDZHKQMGMCP-BBBLOLIVSA-N -1 0 323.353 -0.263 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CCN1CCO ZINC001594555600 1017047611 /nfs/dbraw/zinc/04/76/11/1017047611.db2.gz OUKPLAHLZRFXBC-SECBINFHSA-N -1 0 318.351 -0.335 20 0 DBADRM C[C@H]1CO[C@H](C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001594587573 1017048801 /nfs/dbraw/zinc/04/88/01/1017048801.db2.gz PKUPBNKLLNBGDU-BDAKNGLRSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@@H]1CCOC[C@@H]1C)C(=O)[O-] ZINC001594598080 1017049406 /nfs/dbraw/zinc/04/94/06/1017049406.db2.gz UWCUGGROQOWHSN-NAKRPEOUSA-N -1 0 315.370 -0.064 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001594598958 1017049950 /nfs/dbraw/zinc/04/99/50/1017049950.db2.gz MVDHQVVXGQNIME-ZJUUUORDSA-N -1 0 310.306 -0.845 20 0 DBADRM C[C@H]1Oc2c(cccc2C(=O)NCC[C@H](O)C(=O)[O-])NC1=O ZINC001594651556 1017054916 /nfs/dbraw/zinc/05/49/16/1017054916.db2.gz SWFQAIHYYKIVPG-XCBNKYQSSA-N -1 0 308.290 -0.029 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001594648136 1017055359 /nfs/dbraw/zinc/05/53/59/1017055359.db2.gz FEFQXMGJQWXEFU-XHNCKOQMSA-N -1 0 309.340 -0.701 20 0 DBADRM C[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001594641738 1017055422 /nfs/dbraw/zinc/05/54/22/1017055422.db2.gz AQQZWWGKNNENDR-PHGLEFOZSA-N -1 0 305.352 -0.585 20 0 DBADRM C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NCCCC(=O)[O-])CCO2 ZINC001594643398 1017055449 /nfs/dbraw/zinc/05/54/49/1017055449.db2.gz UQOMMXHOTCJZTD-QMTHXVAHSA-N -1 0 314.338 -0.626 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001594649502 1017055570 /nfs/dbraw/zinc/05/55/70/1017055570.db2.gz XCYDELKEEJRQGM-HOSYDEDBSA-N -1 0 317.367 -0.177 20 0 DBADRM C[C@H]1OCC[C@@H]1N(CCO)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001594643968 1017055806 /nfs/dbraw/zinc/05/58/06/1017055806.db2.gz KGQUGUGCCBOPCE-ZJUUUORDSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@H]1Oc2c(cccc2C(=O)NC[C@H](O)CC(=O)[O-])NC1=O ZINC001594650332 1017055833 /nfs/dbraw/zinc/05/58/33/1017055833.db2.gz CUUNYVJRGWOIGP-HTQZYQBOSA-N -1 0 308.290 -0.029 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@]12C[C@H]1CCC2 ZINC001441055255 1006451420 /nfs/dbraw/zinc/45/14/20/1006451420.db2.gz YTPIWVKWHOVGQU-MEBBXXQBSA-N -1 0 321.381 -0.247 20 0 DBADRM C[C@H]1OCC[C@@]12CN(C(=O)Cn1cc(C(=O)[O-])cn1)CCO2 ZINC001594641757 1017056086 /nfs/dbraw/zinc/05/60/86/1017056086.db2.gz BATSDBQZXTYNDD-QMTHXVAHSA-N -1 0 309.322 -0.012 20 0 DBADRM C[C@@H]1OCC[C@H]1N(CCO)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594643443 1017056319 /nfs/dbraw/zinc/05/63/19/1017056319.db2.gz GCBHRYGFIKGJRT-IONNQARKSA-N -1 0 320.323 -0.467 20 0 DBADRM CCN(CCNC(=O)C1CCC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001429518333 1006456092 /nfs/dbraw/zinc/45/60/92/1006456092.db2.gz LSVIARSRHVGRTP-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM C[C@H]1OCC[C@H]1C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001594643380 1017056453 /nfs/dbraw/zinc/05/64/53/1017056453.db2.gz UGHXJYLNMDRJQH-NXEZZACHSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001594648830 1017056483 /nfs/dbraw/zinc/05/64/83/1017056483.db2.gz NHLMPTIBCPBIAT-WDEREUQCSA-N -1 0 306.384 -0.414 20 0 DBADRM C[C@@H]1COCC[C@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001594595832 1017050623 /nfs/dbraw/zinc/05/06/23/1017050623.db2.gz LOVIIVFBTMFGQC-ORXSELOVSA-N -1 0 319.379 -0.337 20 0 DBADRM C[C@@H]1COCCCN1C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001594603215 1017050878 /nfs/dbraw/zinc/05/08/78/1017050878.db2.gz HYAVTOFFOHOIJK-OZWUEAAUSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@@H]1NC(=O)[C@H](C)N(S(=O)(=O)c2cc(C(=O)[O-])no2)[C@H]1C ZINC001594629209 1017052046 /nfs/dbraw/zinc/05/20/46/1017052046.db2.gz GAGOOTREFPBQAK-ACZMJKKPSA-N -1 0 317.323 -0.341 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)Nc1cc(C(=O)[O-])nn1C ZINC001594607768 1017052061 /nfs/dbraw/zinc/05/20/61/1017052061.db2.gz NDKDDNKHIWITFM-SECBINFHSA-N -1 0 311.342 -0.040 20 0 DBADRM C[C@H]1COCCN1CCN1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC001594607466 1017052270 /nfs/dbraw/zinc/05/22/70/1017052270.db2.gz RDYRUOFPFSWCRH-ZDCRXTMVSA-N -1 0 311.338 -0.652 20 0 DBADRM C[C@H]1COCCN1CCN1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC001594607465 1017052820 /nfs/dbraw/zinc/05/28/20/1017052820.db2.gz RDYRUOFPFSWCRH-LNFKQOIKSA-N -1 0 311.338 -0.652 20 0 DBADRM C[C@@H]1NC(=O)CC[C@H]1c1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1C ZINC001594630841 1017053256 /nfs/dbraw/zinc/05/32/56/1017053256.db2.gz WULOFDPSDDLGIE-IVZWLZJFSA-N -1 0 323.353 -0.513 20 0 DBADRM CCN(C)C(=O)CN1CC([C@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001441152477 1006489247 /nfs/dbraw/zinc/48/92/47/1006489247.db2.gz FUTBPLPKMDQOFG-VIFPVBQESA-N -1 0 323.397 -0.048 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001594636190 1017053538 /nfs/dbraw/zinc/05/35/38/1017053538.db2.gz PWCNXDNRKFEFGS-IBCQBUCCSA-N -1 0 324.337 -0.015 20 0 DBADRM C[C@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1cn[nH]c1 ZINC001594658000 1017057327 /nfs/dbraw/zinc/05/73/27/1017057327.db2.gz LCWNBNMEFSMLDD-VXNVDRBHSA-N -1 0 312.351 -0.096 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC001594761994 1017063454 /nfs/dbraw/zinc/06/34/54/1017063454.db2.gz MLUCNYFSWRMQRI-SNVBAGLBSA-N -1 0 324.337 -0.209 20 0 DBADRM C/C=C/C[C@@H](CO)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001594683701 1017057647 /nfs/dbraw/zinc/05/76/47/1017057647.db2.gz HDWUWNHTXGTCLV-VUDBWIFFSA-N -1 0 306.384 -0.056 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])C1 ZINC001594694864 1017057781 /nfs/dbraw/zinc/05/77/81/1017057781.db2.gz AEUWLMXOYFNPIW-QWRGUYRKSA-N -1 0 308.338 -0.289 20 0 DBADRM C[C@H]1c2nncn2CCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001594671494 1017058536 /nfs/dbraw/zinc/05/85/36/1017058536.db2.gz OSPRJBLQXKATAS-QMMMGPOBSA-N -1 0 300.340 -0.151 20 0 DBADRM C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001594658642 1017058789 /nfs/dbraw/zinc/05/87/89/1017058789.db2.gz OLSFQXSUHRUOTE-JXUBOQSCSA-N -1 0 316.379 -0.709 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001594699740 1017058924 /nfs/dbraw/zinc/05/89/24/1017058924.db2.gz GBVJRVSGCXRSPS-MXWKQRLJSA-N -1 0 313.354 -0.119 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001594699737 1017058941 /nfs/dbraw/zinc/05/89/41/1017058941.db2.gz GBVJRVSGCXRSPS-AXFHLTTASA-N -1 0 313.354 -0.119 20 0 DBADRM CCC(=O)N1CCN(CCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001594705345 1017059821 /nfs/dbraw/zinc/05/98/21/1017059821.db2.gz FKQNXTHUCGLRCQ-RYUDHWBXSA-N -1 0 311.382 -0.280 20 0 DBADRM CCC(=O)NCC(=O)NC[C@H](C)N(C)c1ncc(C(=O)[O-])cn1 ZINC001594707193 1017060426 /nfs/dbraw/zinc/06/04/26/1017060426.db2.gz FFQIKCGLELDXLX-VIFPVBQESA-N -1 0 323.353 -0.358 20 0 DBADRM CCC(=O)NCC(=O)N(C)C[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001594708467 1017060609 /nfs/dbraw/zinc/06/06/09/1017060609.db2.gz XQWGZLFQADJNSK-VIFPVBQESA-N -1 0 323.353 -0.618 20 0 DBADRM CCC(=O)NCC(=O)NCC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001594712599 1017060800 /nfs/dbraw/zinc/06/08/00/1017060800.db2.gz UGNCTWCKRGIPEI-SECBINFHSA-N -1 0 323.353 -0.570 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001594706088 1017060936 /nfs/dbraw/zinc/06/09/36/1017060936.db2.gz JQYRSGBTUCBMAP-UTLUCORTSA-N -1 0 314.338 -0.234 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001594706545 1017061131 /nfs/dbraw/zinc/06/11/31/1017061131.db2.gz RFKRIGVFSLSERU-KXUCPTDWSA-N -1 0 314.338 -0.234 20 0 DBADRM CCC(=O)NCC(=O)N(C)CCN(C)c1ccnc(C(=O)[O-])n1 ZINC001594707133 1017061695 /nfs/dbraw/zinc/06/16/95/1017061695.db2.gz CYAFLBQWZNYENR-UHFFFAOYSA-N -1 0 323.353 -0.404 20 0 DBADRM CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1ncc(C(=O)[O-])cn1 ZINC001594707192 1017061897 /nfs/dbraw/zinc/06/18/97/1017061897.db2.gz FFQIKCGLELDXLX-SECBINFHSA-N -1 0 323.353 -0.358 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001594741898 1017063413 /nfs/dbraw/zinc/06/34/13/1017063413.db2.gz XYLVBGXQXKEZMA-NXEZZACHSA-N -1 0 307.368 -0.241 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC001594752762 1017062594 /nfs/dbraw/zinc/06/25/94/1017062594.db2.gz GCTMUYICEMGSGT-LLVKDONJSA-N -1 0 313.354 -0.706 20 0 DBADRM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001594867486 1017067959 /nfs/dbraw/zinc/06/79/59/1017067959.db2.gz RASQHHUGZVTAPU-BDAKNGLRSA-N -1 0 316.379 -0.408 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)C1CN(C(C)=O)C1)C(=O)[O-] ZINC001594895023 1017069224 /nfs/dbraw/zinc/06/92/24/1017069224.db2.gz AEGTZBSAXCTVOX-PELKAZGASA-N -1 0 314.338 -0.377 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC001594761993 1017063579 /nfs/dbraw/zinc/06/35/79/1017063579.db2.gz MLUCNYFSWRMQRI-JTQLQIEISA-N -1 0 324.337 -0.209 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC001594762013 1017063903 /nfs/dbraw/zinc/06/39/03/1017063903.db2.gz NCMSZLIBAULOKV-LLVKDONJSA-N -1 0 324.337 -0.209 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@@H]2CC(c3cccnc3)=NO2)CCOC1 ZINC001594724192 1017064436 /nfs/dbraw/zinc/06/44/36/1017064436.db2.gz MNUGWTWHFIDMCY-FZMZJTMJSA-N -1 0 305.290 -0.066 20 0 DBADRM CCC(C)(C)C(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1 ZINC001594795106 1017065022 /nfs/dbraw/zinc/06/50/22/1017065022.db2.gz XYGIHHQWVITFIH-VIFPVBQESA-N -1 0 310.354 -0.078 20 0 DBADRM CC[C@@](C)(NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001594840243 1017065504 /nfs/dbraw/zinc/06/55/04/1017065504.db2.gz GQKGZDYXSOBPAI-JOYOIKCWSA-N -1 0 306.384 -0.525 20 0 DBADRM CCC(C)(C)C(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1 ZINC001594795105 1017065650 /nfs/dbraw/zinc/06/56/50/1017065650.db2.gz XYGIHHQWVITFIH-SECBINFHSA-N -1 0 310.354 -0.078 20 0 DBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC001594816547 1017065801 /nfs/dbraw/zinc/06/58/01/1017065801.db2.gz HLGOCMPIMZKPCK-CABZTGNLSA-N -1 0 321.399 -0.339 20 0 DBADRM CC[C@](C)(NC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC001594846645 1017065942 /nfs/dbraw/zinc/06/59/42/1017065942.db2.gz KGOOFEMWJDTYFL-NSHDSACASA-N -1 0 301.324 -0.288 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001429916239 1006616196 /nfs/dbraw/zinc/61/61/96/1006616196.db2.gz OTQQHVQDTZUFQX-IONNQARKSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1nccn1CC(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001496837215 1017065807 /nfs/dbraw/zinc/06/58/07/1017065807.db2.gz ZLPWRQLTBVIHFV-UHFFFAOYSA-N -1 0 307.358 -0.394 20 0 DBADRM CC[C@@](C)(NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC001594837685 1017066369 /nfs/dbraw/zinc/06/63/69/1017066369.db2.gz TYJBBPIEBWEBLY-LLVKDONJSA-N -1 0 307.372 -0.729 20 0 DBADRM CC[C@@](C)(CCO)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001594830739 1017066624 /nfs/dbraw/zinc/06/66/24/1017066624.db2.gz QFGNPVFGFHRJJA-ZDUSSCGKSA-N -1 0 303.359 -0.182 20 0 DBADRM CC(C)[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001429963435 1006637965 /nfs/dbraw/zinc/63/79/65/1006637965.db2.gz YKECFBDDEAMKDF-BDAKNGLRSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1cccc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001441674911 1006800686 /nfs/dbraw/zinc/80/06/86/1006800686.db2.gz ZSWJBVHIPKUMNG-NSHDSACASA-N -1 0 305.338 -0.301 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1CCC1(F)F ZINC001441706026 1006823489 /nfs/dbraw/zinc/82/34/89/1006823489.db2.gz NSQLLWDPHOWTBJ-RQJHMYQMSA-N -1 0 305.285 -0.878 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001430406388 1006844477 /nfs/dbraw/zinc/84/44/77/1006844477.db2.gz PGPFIKIPTKPIAF-WPRPVWTQSA-N -1 0 323.353 -0.690 20 0 DBADRM C[C@H](CNC(=O)CC1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001430409261 1006844786 /nfs/dbraw/zinc/84/47/86/1006844786.db2.gz RZAYBTRQLOIGCL-MRVPVSSYSA-N -1 0 308.338 -0.480 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H](F)c1ccccc1 ZINC001441754179 1006854125 /nfs/dbraw/zinc/85/41/25/1006854125.db2.gz IZQZMESRLOWJOT-JQWIXIFHSA-N -1 0 323.328 -0.212 20 0 DBADRM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001441759310 1006857703 /nfs/dbraw/zinc/85/77/03/1006857703.db2.gz WCVGBSYALSJBAK-UWVGGRQHSA-N -1 0 323.353 -0.451 20 0 DBADRM CCN(C(=O)CCc1n[nH]c(=O)[n-]c1=O)[C@@H]1CCN(C(C)=O)C1 ZINC001430477045 1006868098 /nfs/dbraw/zinc/86/80/98/1006868098.db2.gz CSACRSJZOBLWDF-SNVBAGLBSA-N -1 0 323.353 -0.315 20 0 DBADRM CC[C@H](C)CC(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001430508172 1006876504 /nfs/dbraw/zinc/87/65/04/1006876504.db2.gz PXKZRDAPIKJSQI-IUCAKERBSA-N -1 0 313.358 -0.254 20 0 DBADRM CC(C)n1cccc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001441793310 1006878202 /nfs/dbraw/zinc/87/82/02/1006878202.db2.gz MZBVQHKOLBMMEB-JTQLQIEISA-N -1 0 322.369 -0.227 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NC2CC(C(=O)[O-])C2)O1 ZINC001598118812 1017233519 /nfs/dbraw/zinc/23/35/19/1017233519.db2.gz ONMATVUTJKNDQZ-TVUZUIDESA-N -1 0 313.354 -0.215 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@H]2C[C@H]2C(=O)[O-])O1 ZINC001598116341 1017233759 /nfs/dbraw/zinc/23/37/59/1017233759.db2.gz CCUNJRQAQLFLSG-YTWAJWBKSA-N -1 0 313.354 -0.358 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001598106838 1017233778 /nfs/dbraw/zinc/23/37/78/1017233778.db2.gz VSYGDIZMUZNMJQ-GOSISDBHSA-N -1 0 315.417 -0.009 20 0 DBADRM CN(C(=O)c1cnsn1)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598097279 1017233883 /nfs/dbraw/zinc/23/38/83/1017233883.db2.gz BMYKPZBKHJOABQ-YUMQZZPRSA-N -1 0 310.335 -0.458 20 0 DBADRM CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001598118807 1017234127 /nfs/dbraw/zinc/23/41/27/1017234127.db2.gz OLQKZZXUAUKNMS-GARJFASQSA-N -1 0 318.395 -0.020 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)Cn2ccc(C(=O)[O-])n2)O1 ZINC001598116769 1017234419 /nfs/dbraw/zinc/23/44/19/1017234419.db2.gz FLHOFYPMFOAOJH-GXSJLCMTSA-N -1 0 324.337 -0.667 20 0 DBADRM CN(C)C(=O)/C=C/C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001598118026 1017234528 /nfs/dbraw/zinc/23/45/28/1017234528.db2.gz DIHLXYSHZITFLF-ONEGZZNKSA-N -1 0 309.322 -0.147 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cc(C(=O)[O-])no2)O1 ZINC001598117115 1017234705 /nfs/dbraw/zinc/23/47/05/1017234705.db2.gz HZRXHLZRWFSHEQ-CBAPKCEASA-N -1 0 311.294 -0.262 20 0 DBADRM CN(C)C(=O)C1CCC(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])CC1 ZINC001598114247 1017234723 /nfs/dbraw/zinc/23/47/23/1017234723.db2.gz RHBRJWWTVLUVPM-HCWSGVFWSA-N -1 0 312.366 -0.073 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)c2cc(C(=O)[O-])on2)CC1 ZINC001598127847 1017236283 /nfs/dbraw/zinc/23/62/83/1017236283.db2.gz XFKMWLULVSZBEL-UHFFFAOYSA-N -1 0 324.337 -0.345 20 0 DBADRM CN(C)C(=O)CCN1CCN(C(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC001598126326 1017236502 /nfs/dbraw/zinc/23/65/02/1017236502.db2.gz MVBJDUUQIACJMJ-UHFFFAOYSA-N -1 0 322.365 -0.051 20 0 DBADRM CN(C)C(=O)CCCC(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001598124221 1017237051 /nfs/dbraw/zinc/23/70/51/1017237051.db2.gz FQWRJPLNGPHURK-SNVBAGLBSA-N -1 0 314.338 -0.136 20 0 DBADRM CN(C)C(=O)CN1CCN(Cc2cccc(C(=O)[O-])n2)CC1 ZINC001598130459 1017237290 /nfs/dbraw/zinc/23/72/90/1017237290.db2.gz ZYXBKACCGWVKQQ-UHFFFAOYSA-N -1 0 306.366 -0.014 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(Cc2cn(CC(=O)[O-])nn2)C1 ZINC001598139688 1017238344 /nfs/dbraw/zinc/23/83/44/1017238344.db2.gz ZONGQIRBQJZVMZ-SNVBAGLBSA-N -1 0 310.358 -0.402 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001598138647 1017238375 /nfs/dbraw/zinc/23/83/75/1017238375.db2.gz CKYBGLWKAWELBN-WDEREUQCSA-N -1 0 312.370 -0.435 20 0 DBADRM CN(C)C(=O)c1cc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])cn1C ZINC001598151085 1017238450 /nfs/dbraw/zinc/23/84/50/1017238450.db2.gz RAUQOJUHMLFYID-QMMMGPOBSA-N -1 0 321.330 -0.572 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(CC(=O)NCCC(=O)[O-])C1 ZINC001598138841 1017238755 /nfs/dbraw/zinc/23/87/55/1017238755.db2.gz MFTWIMKNIHGFSI-JTQLQIEISA-N -1 0 300.359 -0.735 20 0 DBADRM CN(C)C(=O)c1cc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])ccn1 ZINC001598151694 1017238851 /nfs/dbraw/zinc/23/88/51/1017238851.db2.gz ZSDDMYJWFDILCV-GFCCVEGCSA-N -1 0 320.349 -0.047 20 0 DBADRM CN(C)C(=O)OCCNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001598146115 1017238990 /nfs/dbraw/zinc/23/89/90/1017238990.db2.gz YWBCCQYKPDKVKS-UHFFFAOYSA-N -1 0 319.339 -0.300 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)c2cc(C(=O)[O-])on2)cn1 ZINC001598134919 1017239376 /nfs/dbraw/zinc/23/93/76/1017239376.db2.gz GBAZTADPAUFVGE-UHFFFAOYSA-N -1 0 307.266 -0.090 20 0 DBADRM CN(C)C(=O)NCCN(C)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001598140516 1017239626 /nfs/dbraw/zinc/23/96/26/1017239626.db2.gz VSASGHUTYHPRTJ-UHFFFAOYSA-N -1 0 319.339 -0.131 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)n1 ZINC001598135581 1017239794 /nfs/dbraw/zinc/23/97/94/1017239794.db2.gz VWOXQTAJKIKFLB-MBTKJCJQSA-N -1 0 322.325 -0.839 20 0 DBADRM CN(C)[C@@]1(C(=O)NC[C@H](O)CC(=O)[O-])COc2ccccc2C1 ZINC001598175383 1017240656 /nfs/dbraw/zinc/24/06/56/1017240656.db2.gz AFNNCCGHEXANJB-MLGOLLRUSA-N -1 0 322.361 -0.126 20 0 DBADRM CN(C)C(=O)c1cccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC001598162999 1017241381 /nfs/dbraw/zinc/24/13/81/1017241381.db2.gz OAMXXFFPOSPQAH-SNVBAGLBSA-N -1 0 316.335 -0.888 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@@H]2COCCO2)ccc1[O-] ZINC001598161435 1017242521 /nfs/dbraw/zinc/24/25/21/1017242521.db2.gz YNDPKFLWCKLMPW-VIFPVBQESA-N -1 0 302.308 -0.607 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2ncccn2)C1 ZINC001597997736 1017226293 /nfs/dbraw/zinc/22/62/93/1017226293.db2.gz AICGEHFLEGIBTQ-UWVGGRQHSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)C1=CCOCC1)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597997257 1017226442 /nfs/dbraw/zinc/22/64/42/1017226442.db2.gz SJYZYGOXJVKARK-NEPJUHHUSA-N -1 0 308.334 -0.277 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001597998423 1017226474 /nfs/dbraw/zinc/22/64/74/1017226474.db2.gz MGGYJGUWZOPWNV-GHMZBOCLSA-N -1 0 319.317 -0.209 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)CCCC(N)=O)C1 ZINC001597998341 1017226658 /nfs/dbraw/zinc/22/66/58/1017226658.db2.gz LAYILSXGHZBGAA-ZJUUUORDSA-N -1 0 311.338 -0.968 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cnccn2)C1 ZINC001597998267 1017226754 /nfs/dbraw/zinc/22/67/54/1017226754.db2.gz JXGFXHYSYNYQAW-VHSXEESVSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)Cc2ccn(C)n2)C1 ZINC001597998635 1017227181 /nfs/dbraw/zinc/22/71/81/1017227181.db2.gz RCKQFIONIWTIDF-RYUDHWBXSA-N -1 0 320.349 -0.648 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001597998517 1017227327 /nfs/dbraw/zinc/22/73/27/1017227327.db2.gz OLQAAOSYUOGWRT-ZJUUUORDSA-N -1 0 321.337 -0.412 20 0 DBADRM CN(C(=O)CN1CCOCC1)[C@H](COC1CCC1)C(=O)[O-] ZINC001598023477 1017228054 /nfs/dbraw/zinc/22/80/54/1017228054.db2.gz VBYQZLGAXDFEKT-GFCCVEGCSA-N -1 0 300.355 -0.201 20 0 DBADRM CN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@H](COC1CCC1)C(=O)[O-] ZINC001598002273 1017228459 /nfs/dbraw/zinc/22/84/59/1017228459.db2.gz BGELBHPBIOXZFX-MWLCHTKSSA-N -1 0 319.379 -0.098 20 0 DBADRM CN(C(=O)Cc1cnoc1)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598040710 1017228954 /nfs/dbraw/zinc/22/89/54/1017228954.db2.gz ZTTWXQGCLRZMEJ-QWRGUYRKSA-N -1 0 307.306 -0.393 20 0 DBADRM CN(C)[C@H](C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1)c1cncn1C ZINC001598163642 1017242012 /nfs/dbraw/zinc/24/20/12/1017242012.db2.gz WHVPEUKYVNSHNC-LOWVWBTDSA-N -1 0 324.381 -0.124 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2ccnnc2)C1 ZINC001597998749 1017229180 /nfs/dbraw/zinc/22/91/80/1017229180.db2.gz UBWSYDWXFFDJAY-QWRGUYRKSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)COC(=O)Cn1cccc(C(=O)[O-])c1=O)C1CC1 ZINC001598028171 1017229202 /nfs/dbraw/zinc/22/92/02/1017229202.db2.gz CBGHYMFRKVHDPM-UHFFFAOYSA-N -1 0 308.290 -0.290 20 0 DBADRM CN(C(=O)Cc1ccon1)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598040241 1017229330 /nfs/dbraw/zinc/22/93/30/1017229330.db2.gz JQGUMEOQMJEFMU-QWRGUYRKSA-N -1 0 307.306 -0.393 20 0 DBADRM CN(C(=O)Cn1ccnc1)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001598041747 1017229601 /nfs/dbraw/zinc/22/96/01/1017229601.db2.gz VRBYQXBZWXSNHD-GHMZBOCLSA-N -1 0 306.322 -0.727 20 0 DBADRM CN(C(=O)NCC(C)(C)NS(C)(=O)=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598046274 1017231428 /nfs/dbraw/zinc/23/14/28/1017231428.db2.gz ACLUMSGKBSEJOD-DTORHVGOSA-N -1 0 321.399 -0.181 20 0 DBADRM CN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])N1CCS(=O)(=O)CC1 ZINC001598068927 1017231627 /nfs/dbraw/zinc/23/16/27/1017231627.db2.gz WVONULQKWJKFJH-WDEREUQCSA-N -1 0 318.395 -0.019 20 0 DBADRM CN(C(=O)NCC1CN(S(C)(=O)=O)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598046745 1017232301 /nfs/dbraw/zinc/23/23/01/1017232301.db2.gz ILHHYHFRVGMBGP-AOOOYVTPSA-N -1 0 319.383 -0.618 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CC2(CC2)C1 ZINC001430696449 1007000581 /nfs/dbraw/zinc/00/05/81/1007000581.db2.gz LTKQRFANDOQXBD-MRVPVSSYSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)NC(=O)C1CC1 ZINC001430720044 1007011489 /nfs/dbraw/zinc/01/14/89/1007011489.db2.gz VETIKJWAJAARBF-MRVPVSSYSA-N -1 0 318.337 -0.898 20 0 DBADRM CC(=O)NCC(=O)NCC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001430932985 1007074273 /nfs/dbraw/zinc/07/42/73/1007074273.db2.gz AMYDIJQFVQNBCI-SSDOTTSWSA-N -1 0 311.342 -0.816 20 0 DBADRM COCC(=O)NC[C@@H](C)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001430945905 1007079116 /nfs/dbraw/zinc/07/91/16/1007079116.db2.gz FYJDTMLJIYYOII-SECBINFHSA-N -1 0 321.337 -0.849 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)no1 ZINC001442049359 1007141637 /nfs/dbraw/zinc/14/16/37/1007141637.db2.gz UWCIERZZWCYEBG-SECBINFHSA-N -1 0 324.341 -0.628 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001431060762 1007168176 /nfs/dbraw/zinc/16/81/76/1007168176.db2.gz CLJYMLMEOKVRMI-BWZBUEFSSA-N -1 0 309.326 -0.437 20 0 DBADRM C[C@H](CCNC(=O)[C@H]1CC12CC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431109237 1007188517 /nfs/dbraw/zinc/18/85/17/1007188517.db2.gz WGKIFEXREOLKHO-HTQZYQBOSA-N -1 0 321.337 -0.293 20 0 DBADRM CCC(=O)NCCN(CCOC)Cc1cc(=O)n2[n-]ccc2n1 ZINC001442171976 1007284483 /nfs/dbraw/zinc/28/44/83/1007284483.db2.gz UJTSCUDTYURUFH-UHFFFAOYSA-N -1 0 321.381 -0.003 20 0 DBADRM C[C@@H](C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C1CCC1 ZINC001431330856 1007355026 /nfs/dbraw/zinc/35/50/26/1007355026.db2.gz GYVNOHRTXYPNJR-MRVPVSSYSA-N -1 0 323.353 -0.093 20 0 DBADRM CCO[C@@H](C)C(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001442368752 1007379025 /nfs/dbraw/zinc/37/90/25/1007379025.db2.gz SBHRTJWHGKXNKF-NSHDSACASA-N -1 0 321.381 -0.004 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@@H]1CCC1(C)C ZINC001431395850 1007393772 /nfs/dbraw/zinc/39/37/72/1007393772.db2.gz CTYHLFQIAQUGHT-QMMMGPOBSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@H](c1ncccn1)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001442467628 1007472197 /nfs/dbraw/zinc/47/21/97/1007472197.db2.gz WVDWRKBUMPHNTG-MRVPVSSYSA-N -1 0 319.325 -0.504 20 0 DBADRM Cc1n[nH]c(=O)c(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)c1C ZINC001442565968 1007552048 /nfs/dbraw/zinc/55/20/48/1007552048.db2.gz LIUMOVNNSAWIPQ-UHFFFAOYSA-N -1 0 321.341 -0.515 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC23CC3)c1[O-] ZINC001431511411 1007553290 /nfs/dbraw/zinc/55/32/90/1007553290.db2.gz IWADBFPFQWSEAX-BDAKNGLRSA-N -1 0 308.338 -0.569 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC23CC3)c1[O-] ZINC001431511425 1007554297 /nfs/dbraw/zinc/55/42/97/1007554297.db2.gz IWADBFPFQWSEAX-IUCAKERBSA-N -1 0 308.338 -0.569 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C2CC2)c1[O-] ZINC001431517092 1007565370 /nfs/dbraw/zinc/56/53/70/1007565370.db2.gz LCWZEDQJADFDOE-GMSGAONNSA-N -1 0 310.354 -0.323 20 0 DBADRM C[C@H](CNC(=O)c1c[n-]n2c1nccc2=O)NC(=O)C(F)F ZINC001431544218 1007590193 /nfs/dbraw/zinc/59/01/93/1007590193.db2.gz VJMKMOHJYXXVDO-ZCFIWIBFSA-N -1 0 313.264 -0.478 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ccn(C)n1 ZINC001442697785 1007620134 /nfs/dbraw/zinc/62/01/34/1007620134.db2.gz VKJRLIRHUAOSIQ-UHFFFAOYSA-N -1 0 321.341 -0.732 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)c1ccc[nH]1 ZINC001431588656 1007622293 /nfs/dbraw/zinc/62/22/93/1007622293.db2.gz KPDDVWCIFBWJMA-MRVPVSSYSA-N -1 0 319.321 -0.638 20 0 DBADRM CCN(CCNC(=O)[C@H]1CCNC(=O)CC1)Cc1n[nH]c(=O)[n-]1 ZINC001442708192 1007626734 /nfs/dbraw/zinc/62/67/34/1007626734.db2.gz QWPXUEMHSUHUGG-SNVBAGLBSA-N -1 0 324.385 -0.635 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@]2(C)CCC(=O)N2)c1[O-] ZINC001431613965 1007637321 /nfs/dbraw/zinc/63/73/21/1007637321.db2.gz IZZYRAIQXCBMIX-UOWDBTKRSA-N -1 0 323.353 -0.673 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1cnn(C)c1 ZINC001442745246 1007641473 /nfs/dbraw/zinc/64/14/73/1007641473.db2.gz LHVHDHVJCOZBOH-UHFFFAOYSA-N -1 0 323.357 -0.939 20 0 DBADRM CCN(CCNC(=O)C1(C)CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001431647391 1007654220 /nfs/dbraw/zinc/65/42/20/1007654220.db2.gz ZFWXOIOFZFIHSQ-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)CCCF ZINC001431679030 1007669125 /nfs/dbraw/zinc/66/91/25/1007669125.db2.gz LBZXRRZMNXJFGV-UHFFFAOYSA-N -1 0 317.321 -0.596 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN1CC[C@](C)(C(=O)[O-])C1 ZINC001598282103 1017255260 /nfs/dbraw/zinc/25/52/60/1017255260.db2.gz FLLUFUMKWZNBNE-LBPRGKRZSA-N -1 0 316.383 -0.166 20 0 DBADRM CN(C)Cc1cc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])no1 ZINC001598246960 1017249061 /nfs/dbraw/zinc/24/90/61/1017249061.db2.gz ISJVGOAURKVCFF-NSHDSACASA-N -1 0 307.310 -0.184 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001598259106 1017249810 /nfs/dbraw/zinc/24/98/10/1017249810.db2.gz ARPLRFLTAAZHNL-UHFFFAOYSA-N -1 0 301.324 -0.713 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC001598261734 1017251935 /nfs/dbraw/zinc/25/19/35/1017251935.db2.gz JCTNABAWLPCYCD-LLVKDONJSA-N -1 0 315.351 -0.395 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001598262218 1017252425 /nfs/dbraw/zinc/25/24/25/1017252425.db2.gz KTNNYSIJONOEDG-ZJUUUORDSA-N -1 0 321.399 -0.516 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NCc1ncc(C(=O)[O-])s1 ZINC001598262613 1017252796 /nfs/dbraw/zinc/25/27/96/1017252796.db2.gz YYOWIKOMOCHRKO-UHFFFAOYSA-N -1 0 321.380 -0.261 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001598261966 1017252827 /nfs/dbraw/zinc/25/28/27/1017252827.db2.gz JWODPVJXKYPJIW-VHSXEESVSA-N -1 0 321.399 -0.516 20 0 DBADRM CN(C)S(=O)(=O)CCN1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598262165 1017252916 /nfs/dbraw/zinc/25/29/16/1017252916.db2.gz QNRZEEDAMKNJNL-NSHDSACASA-N -1 0 305.356 -0.817 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NCc1cc(C(=O)[O-])co1 ZINC001598261764 1017253027 /nfs/dbraw/zinc/25/30/27/1017253027.db2.gz KAMHAJYJIWTXCB-UHFFFAOYSA-N -1 0 304.324 -0.125 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN1CCSC[C@H]1CC(=O)[O-] ZINC001598283500 1017253699 /nfs/dbraw/zinc/25/36/99/1017253699.db2.gz XAJZZMPUFMZTQC-GSDQLPOLSA-N -1 0 323.440 -0.021 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cn1 ZINC001598329995 1017254278 /nfs/dbraw/zinc/25/42/78/1017254278.db2.gz CVQSRTMPOHYCLT-GXSJLCMTSA-N -1 0 315.351 -0.332 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001598283966 1017254976 /nfs/dbraw/zinc/25/49/76/1017254976.db2.gz TWYMVRYKNIBDNA-DCXZOGHSSA-N -1 0 313.401 -0.352 20 0 DBADRM CCC(=O)N1CC[C@@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001432045409 1007799598 /nfs/dbraw/zinc/79/95/98/1007799598.db2.gz QEWBWPCEOKZMRK-MRVPVSSYSA-N -1 0 309.326 -0.658 20 0 DBADRM CC1(CC(=O)NC[C@H]2CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001432065510 1007804433 /nfs/dbraw/zinc/80/44/33/1007804433.db2.gz NCSSCICOBZPRGF-MRVPVSSYSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1C(=O)c1ccco1 ZINC001432088729 1007809358 /nfs/dbraw/zinc/80/93/58/1007809358.db2.gz VYDDEVRFOUDRGZ-QMMMGPOBSA-N -1 0 321.293 -0.687 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)CC2CC2)C1 ZINC001443238248 1007815849 /nfs/dbraw/zinc/81/58/49/1007815849.db2.gz DQGJLJIDJMFARH-MRVPVSSYSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001443408685 1007843607 /nfs/dbraw/zinc/84/36/07/1007843607.db2.gz VTPZVUTWXRZECW-RKDXNWHRSA-N -1 0 310.358 -0.898 20 0 DBADRM COC[C@H](OC)C(=O)NC1(CNC(=O)c2cnc[nH]c2=O)CC1 ZINC001432198128 1007845108 /nfs/dbraw/zinc/84/51/08/1007845108.db2.gz IQOGQQUEDFVGGC-JTQLQIEISA-N -1 0 324.337 -0.778 20 0 DBADRM CCO[C@H](C)C(=O)NC1(CNC(=O)c2cnc[nH]c2=O)CC1 ZINC001432198026 1007845407 /nfs/dbraw/zinc/84/54/07/1007845407.db2.gz IIEOQMXUTMPFSB-SECBINFHSA-N -1 0 308.338 -0.014 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001443444650 1007848410 /nfs/dbraw/zinc/84/84/10/1007848410.db2.gz MWLZWEIGQZLHQG-IVZWLZJFSA-N -1 0 309.326 -0.311 20 0 DBADRM COCC1(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)CC1 ZINC001432209346 1007850821 /nfs/dbraw/zinc/85/08/21/1007850821.db2.gz FBTYVUVNLPESRL-UHFFFAOYSA-N -1 0 308.338 -0.209 20 0 DBADRM O=C(c1cnc2[nH]cnc2c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001443457823 1007851874 /nfs/dbraw/zinc/85/18/74/1007851874.db2.gz YPEWPURJTDVFOJ-SECBINFHSA-N -1 0 300.282 -0.315 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)CO[C@H]3CCOC3)C2)c1[O-] ZINC001432244840 1007866180 /nfs/dbraw/zinc/86/61/80/1007866180.db2.gz UJBLYNJTAKYOEZ-JTQLQIEISA-N -1 0 324.337 -0.830 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)CN1CCOCC1)C(=O)[O-] ZINC001594898617 1017070103 /nfs/dbraw/zinc/07/01/03/1017070103.db2.gz YOGWSFRJZSCAGA-GWCFXTLKSA-N -1 0 316.354 -0.523 20 0 DBADRM CC[C@](COC)(NC(=O)C1=C(C)N(C)c2nnnn2C1)C(=O)[O-] ZINC001595187480 1017079633 /nfs/dbraw/zinc/07/96/33/1017079633.db2.gz MYQSTEIYIKNZET-CYBMUJFWSA-N -1 0 324.341 -0.607 20 0 DBADRM CC(=O)N(C)[C@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001443620040 1007889142 /nfs/dbraw/zinc/88/91/42/1007889142.db2.gz NMQXYQCNIPWXEK-LLVKDONJSA-N -1 0 323.353 -0.412 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(CCOC)CC1)C(=O)[O-] ZINC001594894273 1017070703 /nfs/dbraw/zinc/07/07/03/1017070703.db2.gz OMJLEOHPXPCJFD-JSGCOSHPSA-N -1 0 315.414 -0.134 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@H]1NC(=O)O[C@@H]1C)C(=O)[O-] ZINC001594895575 1017071001 /nfs/dbraw/zinc/07/10/01/1017071001.db2.gz DXTWJCJUIJSLPB-MBLNEYKQSA-N -1 0 316.310 -0.358 20 0 DBADRM CO[C@H](C(=O)NC1CN(C(=O)c2cnc[nH]c2=O)C1)C(C)C ZINC001432346881 1007896140 /nfs/dbraw/zinc/89/61/40/1007896140.db2.gz WROZBUJLFGEIGY-NSHDSACASA-N -1 0 308.338 -0.206 20 0 DBADRM CC[C@@H](C)C[C@H](NC(=O)C1(OC)CS(=O)(=O)C1)C(=O)[O-] ZINC001594935970 1017071687 /nfs/dbraw/zinc/07/16/87/1017071687.db2.gz FBSLFMXQPVXKOI-BDAKNGLRSA-N -1 0 307.368 -0.194 20 0 DBADRM CC[C@H](C)C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)[O-] ZINC001594938705 1017072558 /nfs/dbraw/zinc/07/25/58/1017072558.db2.gz ORSBFXQKMWQIEU-VHSXEESVSA-N -1 0 323.415 -0.270 20 0 DBADRM CC[C@H](C)[C@H](OC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)[O-] ZINC001594922763 1017073134 /nfs/dbraw/zinc/07/31/34/1017073134.db2.gz DPDZNJGPBBJGJE-WPRPVWTQSA-N -1 0 310.372 -0.233 20 0 DBADRM CC[C@H](C[C@@H](C)O)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001595035249 1017073765 /nfs/dbraw/zinc/07/37/65/1017073765.db2.gz AYAKCJRFXZIKHS-MXWKQRLJSA-N -1 0 300.355 -0.025 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)Cn1cnc2c(nnn2C)c1=O ZINC001595047930 1017073968 /nfs/dbraw/zinc/07/39/68/1017073968.db2.gz PRYSBVLTTRPXQP-UHFFFAOYSA-N -1 0 307.310 -0.015 20 0 DBADRM CCC(CC)N1C[C@H](C(=O)N[C@@](C)(CO)C(=O)[O-])CC1=O ZINC001595115291 1017074492 /nfs/dbraw/zinc/07/44/92/1017074492.db2.gz BADBCDKCMXTEFT-OTYXRUKQSA-N -1 0 300.355 -0.025 20 0 DBADRM CC[C@H](CNC(=O)[C@@H]1CCNC1=O)Nc1ccnc(C(=O)[O-])n1 ZINC001595139886 1017076269 /nfs/dbraw/zinc/07/62/69/1017076269.db2.gz ZUQZRWOIRZOXSJ-RKDXNWHRSA-N -1 0 321.337 -0.961 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)[C@H](C)CC(N)=O)C2)c1[O-] ZINC001432436481 1007935402 /nfs/dbraw/zinc/93/54/02/1007935402.db2.gz GOEDGVPETQOPAM-SSDOTTSWSA-N -1 0 323.353 -0.782 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001443818281 1007938790 /nfs/dbraw/zinc/93/87/90/1007938790.db2.gz LUFAYZWDTFCQMY-RKDXNWHRSA-N -1 0 310.358 -0.946 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001595171817 1017077313 /nfs/dbraw/zinc/07/73/13/1017077313.db2.gz PXEKTZLXKYOPKI-BBBLOLIVSA-N -1 0 321.399 -0.181 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)c1cc(C(=O)[O-])ccn1 ZINC001595172390 1017077809 /nfs/dbraw/zinc/07/78/09/1017077809.db2.gz BRKUKHHBFOMLAE-SECBINFHSA-N -1 0 315.351 -0.163 20 0 DBADRM CC[C@](COC)(NC(=O)CSc1nncn1C)C(=O)[O-] ZINC001595188254 1017077959 /nfs/dbraw/zinc/07/79/59/1017077959.db2.gz LZQDYWJWNSPCTO-LLVKDONJSA-N -1 0 302.356 -0.097 20 0 DBADRM CC[C@](COC)(NC(=O)[C@@H]1CC[C@H](C(=O)OC)O1)C(=O)[O-] ZINC001595189587 1017078325 /nfs/dbraw/zinc/07/83/25/1017078325.db2.gz QYDHRVZWMJHTCV-IGJMFERPSA-N -1 0 303.311 -0.297 20 0 DBADRM CC[C@](COC)(NC(=O)c1coc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001595193022 1017078509 /nfs/dbraw/zinc/07/85/09/1017078509.db2.gz AGLLLHLETKPHEY-LLVKDONJSA-N -1 0 320.323 -0.463 20 0 DBADRM CC[C@](COC)(NC(=O)Cc1nc2ncccn2n1)C(=O)[O-] ZINC001595189539 1017079257 /nfs/dbraw/zinc/07/92/57/1017079257.db2.gz PJIPAHVVHZLIRK-CYBMUJFWSA-N -1 0 307.310 -0.337 20 0 DBADRM CCC(=O)N(CC)[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001432529177 1007960993 /nfs/dbraw/zinc/96/09/93/1007960993.db2.gz VIYVOVKOQBCGIN-JTQLQIEISA-N -1 0 322.365 -0.041 20 0 DBADRM CCC(=O)N1CC[C@H](N(CC)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001432537131 1007963921 /nfs/dbraw/zinc/96/39/21/1007963921.db2.gz GGQOCUQKKVEQBY-VIFPVBQESA-N -1 0 311.342 -0.451 20 0 DBADRM CC(=O)N1CC[C@](C)(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001432580919 1007969742 /nfs/dbraw/zinc/96/97/42/1007969742.db2.gz FVOMOORPUYCPOK-AWEZNQCLSA-N -1 0 318.337 -0.802 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H](C)C1CC1 ZINC001443945847 1007971022 /nfs/dbraw/zinc/97/10/22/1007971022.db2.gz YCYSIPDIWUWBHC-YUMQZZPRSA-N -1 0 323.353 -0.094 20 0 DBADRM CC[C@@H](F)C(=O)N(C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001443944011 1007971320 /nfs/dbraw/zinc/97/13/20/1007971320.db2.gz DHLUQRMNBZBTTD-NKWVEPMBSA-N -1 0 315.305 -0.392 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1CC12CC2 ZINC001443953469 1007973233 /nfs/dbraw/zinc/97/32/33/1007973233.db2.gz KONDRFUQTIXADO-IUCAKERBSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)NC[C@@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001444049836 1007996706 /nfs/dbraw/zinc/99/67/06/1007996706.db2.gz RRUCZZAMJKLEFJ-ZETCQYMHSA-N -1 0 313.276 -0.943 20 0 DBADRM CS[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001444103371 1008026149 /nfs/dbraw/zinc/02/61/49/1008026149.db2.gz BSJGEVHMFRJRHR-YUMQZZPRSA-N -1 0 316.383 -0.618 20 0 DBADRM CC(=O)NC1(CNC(=O)c2cnc([O-])n(C)c2=O)CCCC1 ZINC001432825071 1008030770 /nfs/dbraw/zinc/03/07/70/1008030770.db2.gz YWBXMILKWOITJR-UHFFFAOYSA-N -1 0 308.338 -0.335 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)[C@@H](C)C1CC1 ZINC001432949879 1008045965 /nfs/dbraw/zinc/04/59/65/1008045965.db2.gz QOFRIBHAOBKDBG-YUMQZZPRSA-N -1 0 323.353 -0.189 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC2(F)F)c1[O-] ZINC001444147981 1008049630 /nfs/dbraw/zinc/04/96/30/1008049630.db2.gz ONRAILZNIHIANJ-BQBZGAKWSA-N -1 0 318.280 -0.714 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)[C@@H]1C[C@H]1C ZINC001432990130 1008056834 /nfs/dbraw/zinc/05/68/34/1008056834.db2.gz RHFCPTHMCCZNAL-XLPZGREQSA-N -1 0 309.326 -0.579 20 0 DBADRM C[C@@H](CNC(=O)CC1(C)CC1)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001432994469 1008058718 /nfs/dbraw/zinc/05/87/18/1008058718.db2.gz PGMVVRHXSZUHOJ-QMMMGPOBSA-N -1 0 323.353 -0.045 20 0 DBADRM CCC(=O)NC[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C(C)C ZINC001433061372 1008062359 /nfs/dbraw/zinc/06/23/59/1008062359.db2.gz FNDXTOUUDJAIAS-JTQLQIEISA-N -1 0 310.354 -0.234 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001444259763 1008103500 /nfs/dbraw/zinc/10/35/00/1008103500.db2.gz ABELQLVSVVKAGI-HTQZYQBOSA-N -1 0 302.306 -0.621 20 0 DBADRM CCC1(C(=O)NC[C@@H](O)CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001433266963 1008127447 /nfs/dbraw/zinc/12/74/47/1008127447.db2.gz HDMQXXBGTCKPNK-VIFPVBQESA-N -1 0 310.354 -0.179 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)CCCF)c1[O-] ZINC001433266801 1008127899 /nfs/dbraw/zinc/12/78/99/1008127899.db2.gz GEUPZUBWPXVXLX-MRVPVSSYSA-N -1 0 302.306 -0.620 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001444474592 1008168661 /nfs/dbraw/zinc/16/86/61/1008168661.db2.gz PDEWKYRMNIRVLD-BDAKNGLRSA-N -1 0 301.322 -0.425 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)c2c[n-]ncc2=O)n1 ZINC001444568452 1008180343 /nfs/dbraw/zinc/18/03/43/1008180343.db2.gz ZNZZCUFUKMUKJO-UHFFFAOYSA-N -1 0 311.323 -0.324 20 0 DBADRM CCC(=O)N[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)(C)C ZINC001444872901 1008253453 /nfs/dbraw/zinc/25/34/53/1008253453.db2.gz SXGOMIZLJQYWHX-MRVPVSSYSA-N -1 0 313.358 -0.254 20 0 DBADRM CCn1ccc(CC(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001444987171 1008268690 /nfs/dbraw/zinc/26/86/90/1008268690.db2.gz IRRNYYPPSAASPN-UHFFFAOYSA-N -1 0 321.385 -0.140 20 0 DBADRM COc1nc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)co1 ZINC001445015057 1008272649 /nfs/dbraw/zinc/27/26/49/1008272649.db2.gz RPWKORSTAWNHDF-UHFFFAOYSA-N -1 0 310.314 -0.289 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001445770689 1008433941 /nfs/dbraw/zinc/43/39/41/1008433941.db2.gz ZVLINWBIUKLMJQ-NXEZZACHSA-N -1 0 324.385 -0.637 20 0 DBADRM C[C@H](c1ccccc1)N(CC(N)=O)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001445797507 1008436505 /nfs/dbraw/zinc/43/65/05/1008436505.db2.gz NNXXPFSHQFINRG-SECBINFHSA-N -1 0 319.321 -0.236 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001445825225 1008437160 /nfs/dbraw/zinc/43/71/60/1008437160.db2.gz ZKQRJBCMJYODPY-SECBINFHSA-N -1 0 307.358 -0.348 20 0 DBADRM COC(=O)[C@@H](COC(C)C)N(C)C(=O)CCCc1nnn[n-]1 ZINC001446085341 1008472282 /nfs/dbraw/zinc/47/22/82/1008472282.db2.gz HUJWSIQDMGTNFM-SNVBAGLBSA-N -1 0 313.358 -0.053 20 0 DBADRM C[C@]1(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)CCNC(=O)C1 ZINC001446200921 1008487886 /nfs/dbraw/zinc/48/78/86/1008487886.db2.gz BCHWOUHLZRIUIJ-ZDUSSCGKSA-N -1 0 322.369 -0.835 20 0 DBADRM CC1(NC(=O)Cc2ncc[nH]2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001446481176 1008519549 /nfs/dbraw/zinc/51/95/49/1008519549.db2.gz WPBFFTMYYBYTCG-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]N1CC(=O)NC1=O ZINC001457530120 1008532165 /nfs/dbraw/zinc/53/21/65/1008532165.db2.gz QTTYMDRXEJCDOB-UHFFFAOYSA-N -1 0 304.266 -0.420 20 0 DBADRM CC(=O)NC[C@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)C(C)C ZINC001457560848 1008534198 /nfs/dbraw/zinc/53/41/98/1008534198.db2.gz PSNGSQKLJWSHJA-JTQLQIEISA-N -1 0 311.342 -0.508 20 0 DBADRM Cc1nnc(CC(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001446532343 1008540766 /nfs/dbraw/zinc/54/07/66/1008540766.db2.gz KBRVMYUBRPRRET-ZDUSSCGKSA-N -1 0 320.357 -0.740 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)c2cn[nH]c2)c1[O-] ZINC001457720452 1008586263 /nfs/dbraw/zinc/58/62/63/1008586263.db2.gz CEGITYZYQYGXQY-UHFFFAOYSA-N -1 0 306.326 -0.009 20 0 DBADRM Cn1ncc(Br)c1C(=O)NCc1nc(=O)o[n-]1 ZINC001446601929 1008601816 /nfs/dbraw/zinc/60/18/16/1008601816.db2.gz MTTCUGSQLKQONT-UHFFFAOYSA-N -1 0 302.088 -0.211 20 0 DBADRM CCOC(=O)c1n[nH]c(CNC(=O)c2cc(OC)n(C)n2)n1 ZINC001457751799 1008609843 /nfs/dbraw/zinc/60/98/43/1008609843.db2.gz QKVDKAMJKSFGPA-UHFFFAOYSA-N -1 0 308.298 -0.347 20 0 DBADRM C[C@H]1CN(C2CC2)CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001457874539 1008673237 /nfs/dbraw/zinc/67/32/37/1008673237.db2.gz JENDCBPFEICHEQ-JTQLQIEISA-N -1 0 316.365 -0.234 20 0 DBADRM Cc1cc(C(=O)NC[C@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC001446733681 1008716182 /nfs/dbraw/zinc/71/61/82/1008716182.db2.gz AAXVHDMVBKIHPG-CQSZACIVSA-N -1 0 321.337 -0.221 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)c1c([O-])cc(F)cc1F ZINC001458029190 1008810416 /nfs/dbraw/zinc/81/04/16/1008810416.db2.gz VEUODASFLZZDEW-SSDOTTSWSA-N -1 0 309.290 -0.194 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC001458029073 1008810406 /nfs/dbraw/zinc/81/04/06/1008810406.db2.gz UGVOUQAKONTJJI-QMMMGPOBSA-N -1 0 300.340 -0.450 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)c1c([O-])cc(F)cc1F ZINC001458029220 1008810799 /nfs/dbraw/zinc/81/07/99/1008810799.db2.gz VEUODASFLZZDEW-ZETCQYMHSA-N -1 0 309.290 -0.194 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1=CCCC1 ZINC001458377223 1008834365 /nfs/dbraw/zinc/83/43/65/1008834365.db2.gz UBTMUEZIMBGRGU-VIFPVBQESA-N -1 0 320.349 -0.169 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)CC1(C)CC1 ZINC001458476382 1008841814 /nfs/dbraw/zinc/84/18/14/1008841814.db2.gz MXDNKGQSGSTYNU-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001458773222 1008875981 /nfs/dbraw/zinc/87/59/81/1008875981.db2.gz SKXHMJWFQNAZMV-OPRDCNLKSA-N -1 0 323.353 -0.548 20 0 DBADRM CC[C@H](C)C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001458869773 1008889013 /nfs/dbraw/zinc/88/90/13/1008889013.db2.gz SHLGFTIHZBTSTC-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM CC[C@@H](C)C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001458869771 1008889500 /nfs/dbraw/zinc/88/95/00/1008889500.db2.gz SHLGFTIHZBTSTC-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM CC(=O)NC[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC001447072403 1008891660 /nfs/dbraw/zinc/89/16/60/1008891660.db2.gz COEAKSJLNJUKQA-NSHDSACASA-N -1 0 318.337 -0.898 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3ccn(C)n3)CC2)c1[O-] ZINC001458940786 1008904521 /nfs/dbraw/zinc/90/45/21/1008904521.db2.gz CRERDDLXSJZCLU-UHFFFAOYSA-N -1 0 318.337 -0.150 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001447213968 1008957705 /nfs/dbraw/zinc/95/77/05/1008957705.db2.gz DDRLCQMTTHNMDB-FTLITQJKSA-N -1 0 321.337 -0.437 20 0 DBADRM CC(=O)N[C@]1(C)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001459425434 1009022445 /nfs/dbraw/zinc/02/24/45/1009022445.db2.gz MEBVPWGZNYSSJH-CYBMUJFWSA-N -1 0 311.342 -0.403 20 0 DBADRM CNC(=O)[C@H](CC(C)C)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001447314195 1009023369 /nfs/dbraw/zinc/02/33/69/1009023369.db2.gz UPFKKCHXVNGUIE-ZETCQYMHSA-N -1 0 301.372 -0.121 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC001447321725 1009027609 /nfs/dbraw/zinc/02/76/09/1009027609.db2.gz YNQLLKADCKRUDG-RYUDHWBXSA-N -1 0 305.338 -0.267 20 0 DBADRM CC(=O)N1CCC[C@@](C)(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001459592785 1009039220 /nfs/dbraw/zinc/03/92/20/1009039220.db2.gz IHQPFYFZODYVRS-ZDUSSCGKSA-N -1 0 311.342 -0.546 20 0 DBADRM O=c1[n-]c([C@@H]2CCCN(Cc3nnc4c(=O)[nH]ccn34)C2)n[nH]1 ZINC001460171851 1009076214 /nfs/dbraw/zinc/07/62/14/1009076214.db2.gz LXDOZQXDAABSKV-MRVPVSSYSA-N -1 0 316.325 -0.379 20 0 DBADRM O=c1cc(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)nc2cc[n-]n21 ZINC001460743577 1009104235 /nfs/dbraw/zinc/10/42/35/1009104235.db2.gz LIQPIAPXTSBKQE-MNOVXSKESA-N -1 0 322.390 -0.111 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001460790982 1009111242 /nfs/dbraw/zinc/11/12/42/1009111242.db2.gz YPKJNHPAUPLWAC-UHFFFAOYSA-N -1 0 321.341 -0.509 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)[N-][C@@](C)(COC)C(=O)OC)CC1=O ZINC001463323193 1009205301 /nfs/dbraw/zinc/20/53/01/1009205301.db2.gz DIURSZVTRRYULW-CABZTGNLSA-N -1 0 322.383 -0.895 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC001463161983 1009196671 /nfs/dbraw/zinc/19/66/71/1009196671.db2.gz KOISZDQWOGXJGS-JTQLQIEISA-N -1 0 306.322 -0.776 20 0 DBADRM C[C@H](Oc1ccccn1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001447642681 1009209726 /nfs/dbraw/zinc/20/97/26/1009209726.db2.gz BIWMYZTUBGGBPE-VIFPVBQESA-N -1 0 315.351 -0.569 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001463410067 1009215660 /nfs/dbraw/zinc/21/56/60/1009215660.db2.gz SQAUVGFPGBNLPQ-SDDRHHMPSA-N -1 0 321.395 -0.213 20 0 DBADRM COC[C@H](CCO)[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001463459127 1009216307 /nfs/dbraw/zinc/21/63/07/1009216307.db2.gz VXTYKXBHHSKCLK-QMMMGPOBSA-N -1 0 307.324 -0.258 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC001463412103 1009220400 /nfs/dbraw/zinc/22/04/00/1009220400.db2.gz ZYLZSWHAUNUJCU-LWESTGQBSA-N -1 0 316.401 -0.749 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@](C)(CO)C(=O)OC ZINC001463853956 1009253191 /nfs/dbraw/zinc/25/31/91/1009253191.db2.gz HPVWNCQNBXYMAU-SECBINFHSA-N -1 0 316.401 -0.747 20 0 DBADRM CN(C)c1ccnc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC001598346737 1017256869 /nfs/dbraw/zinc/25/68/69/1017256869.db2.gz ZIKMSTBCVGRCOG-LLVKDONJSA-N -1 0 306.322 -0.437 20 0 DBADRM CCn1cc(C[N-]S(=O)(=O)N=S2(=O)CCCC2)nn1 ZINC001464039975 1009288821 /nfs/dbraw/zinc/28/88/21/1009288821.db2.gz VXTZEEDTXHZPRI-UHFFFAOYSA-N -1 0 307.401 -0.106 20 0 DBADRM CN(C)c1nccc(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC001598359469 1017257184 /nfs/dbraw/zinc/25/71/84/1017257184.db2.gz RJHLWEPZJKEKRS-NSHDSACASA-N -1 0 323.353 -0.072 20 0 DBADRM CN(C)c1noc(CCC(=O)N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC001598365202 1017257419 /nfs/dbraw/zinc/25/74/19/1017257419.db2.gz KKPFNLSVQFUBOB-SECBINFHSA-N -1 0 312.326 -0.230 20 0 DBADRM CN(C)c1n[nH]c(CNS(=O)(=O)c2cc(C(=O)[O-])co2)n1 ZINC001598365361 1017257587 /nfs/dbraw/zinc/25/75/87/1017257587.db2.gz OLXOIFXRUOQGTO-UHFFFAOYSA-N -1 0 315.311 -0.360 20 0 DBADRM CN(C)c1cccc(CNS(=O)(=O)N(C)CCC(=O)[O-])n1 ZINC001598340198 1017258165 /nfs/dbraw/zinc/25/81/65/1017258165.db2.gz FLQLRQAJMJXSRU-UHFFFAOYSA-N -1 0 316.383 -0.112 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)C23CC(C(=O)[O-])(C2)C3)n1 ZINC001598352722 1017258285 /nfs/dbraw/zinc/25/82/85/1017258285.db2.gz PXQWPHMSQMNPLD-UHFFFAOYSA-N -1 0 307.310 -0.182 20 0 DBADRM CN(C)c1nccc(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC001598359468 1017258739 /nfs/dbraw/zinc/25/87/39/1017258739.db2.gz RJHLWEPZJKEKRS-LLVKDONJSA-N -1 0 323.353 -0.072 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c1[O-] ZINC001464305167 1009303750 /nfs/dbraw/zinc/30/37/50/1009303750.db2.gz RZJYGHFLKYYQID-SECBINFHSA-N -1 0 316.383 -0.032 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@@]1(CO)CCOC1 ZINC001598379417 1017259825 /nfs/dbraw/zinc/25/98/25/1017259825.db2.gz RMPIMPIQGKUPLX-CQSZACIVSA-N -1 0 300.355 -0.607 20 0 DBADRM CN(C1(CO)CCC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001598366222 1017260379 /nfs/dbraw/zinc/26/03/79/1017260379.db2.gz JCCUWBFFUNQLDE-UHFFFAOYSA-N -1 0 303.340 -0.497 20 0 DBADRM CN([C@@H]1CCNC1=O)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598374433 1017260400 /nfs/dbraw/zinc/26/04/00/1017260400.db2.gz CHXZZDMTBIBYIX-IVZWLZJFSA-N -1 0 304.368 -0.220 20 0 DBADRM CN(CC(=O)N[C@@H](Cn1cncn1)C(=O)[O-])c1ccccc1 ZINC001598386480 1017261109 /nfs/dbraw/zinc/26/11/09/1017261109.db2.gz GYLSCYDBUKTJKW-LBPRGKRZSA-N -1 0 303.322 -0.016 20 0 DBADRM CN(CC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)S(C)(=O)=O ZINC001598380296 1017261270 /nfs/dbraw/zinc/26/12/70/1017261270.db2.gz BFPINGXBNMYZPX-SKDRFNHKSA-N -1 0 304.368 -0.266 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001598380276 1017261463 /nfs/dbraw/zinc/26/14/63/1017261463.db2.gz AAWJXFFDMRUUDW-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)[C@H]1CC(=O)N(CC)C1 ZINC001464502930 1009316029 /nfs/dbraw/zinc/31/60/29/1009316029.db2.gz RJWFFYVBNNKYMX-UWVGGRQHSA-N -1 0 322.383 -0.895 20 0 DBADRM CN(CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])Cc1ccccc1 ZINC001598380368 1017261663 /nfs/dbraw/zinc/26/16/63/1017261663.db2.gz GONSJHHYOUKOOF-CYBMUJFWSA-N -1 0 319.361 -0.080 20 0 DBADRM O=C1NC[C@H](O)CC12CN(S(=O)(=O)c1ccccc1[O-])C2 ZINC001464547086 1009324183 /nfs/dbraw/zinc/32/41/83/1009324183.db2.gz IJQNQXOOZCLUIZ-SECBINFHSA-N -1 0 312.347 -0.736 20 0 DBADRM CN(CC(=O)[O-])C(=O)CC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001598405395 1017263474 /nfs/dbraw/zinc/26/34/74/1017263474.db2.gz USVPDGFXZZMKQJ-VIFPVBQESA-N -1 0 311.342 -0.377 20 0 DBADRM CN(CC(=O)N[C@H](CCF)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001598387995 1017264091 /nfs/dbraw/zinc/26/40/91/1017264091.db2.gz ZMGXBQNBVFIVAN-DTWKUNHWSA-N -1 0 310.347 -0.966 20 0 DBADRM CN(CC(=O)NCCNc1ncc(C(=O)[O-])cn1)C(=O)C1CC1 ZINC001598391898 1017264208 /nfs/dbraw/zinc/26/42/08/1017264208.db2.gz VSGPFIFXSHOBGK-UHFFFAOYSA-N -1 0 321.337 -0.429 20 0 DBADRM COC(=O)N1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001464673402 1009332027 /nfs/dbraw/zinc/33/20/27/1009332027.db2.gz IBTMMEROYNICNH-UHFFFAOYSA-N -1 0 315.355 -0.097 20 0 DBADRM CN(CC(N)=O)C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC001598430628 1017266118 /nfs/dbraw/zinc/26/61/18/1017266118.db2.gz VIJVUPCEOUXHKF-WDEREUQCSA-N -1 0 319.317 -0.097 20 0 DBADRM Cc1nc(C)c(CC(=O)N(C)CCS(C)(=O)=O)c(=O)[nH]1 ZINC001464769628 1009339416 /nfs/dbraw/zinc/33/94/16/1009339416.db2.gz HEALOGAOAQESRK-UHFFFAOYSA-N -1 0 301.368 -0.155 20 0 DBADRM CO[C@H](C)CS(=O)(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001464738293 1009339455 /nfs/dbraw/zinc/33/94/55/1009339455.db2.gz AFIPDHFEQKZMSM-ZJUUUORDSA-N -1 0 316.383 -0.285 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCOC[C@H]1CCOC1 ZINC001464854267 1009345296 /nfs/dbraw/zinc/34/52/96/1009345296.db2.gz HJZCWYPPDQVTEE-JTQLQIEISA-N -1 0 314.342 -0.361 20 0 DBADRM CN(CC(C)(C)CNC(=O)c1nnc[nH]1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598423466 1017267600 /nfs/dbraw/zinc/26/76/00/1017267600.db2.gz DFUPKMREJLSMEI-BDAKNGLRSA-N -1 0 323.353 -0.260 20 0 DBADRM Cc1n[nH]c(=O)c(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1C ZINC001464880143 1009348984 /nfs/dbraw/zinc/34/89/84/1009348984.db2.gz GMKOZRDTOFVCKR-QMMMGPOBSA-N -1 0 305.298 -0.474 20 0 DBADRM CN(C)c1ncc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)n1C ZINC001464899477 1009350463 /nfs/dbraw/zinc/35/04/63/1009350463.db2.gz BKFUMTWBPFXTLS-UHFFFAOYSA-N -1 0 323.357 -0.415 20 0 DBADRM O=C([C@@H]1CCCn2ncnc21)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001464886855 1009350754 /nfs/dbraw/zinc/35/07/54/1009350754.db2.gz WCWYUROBZUNLNS-RKDXNWHRSA-N -1 0 304.314 -0.731 20 0 DBADRM O=C([C@H]1CCCn2ncnc21)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001464886849 1009353442 /nfs/dbraw/zinc/35/34/42/1009353442.db2.gz WCWYUROBZUNLNS-DTWKUNHWSA-N -1 0 304.314 -0.731 20 0 DBADRM CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC001465345100 1009371834 /nfs/dbraw/zinc/37/18/34/1009371834.db2.gz CCOSPUJHORCWRO-IUCAKERBSA-N -1 0 324.337 -0.325 20 0 DBADRM COC(=O)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CCOCC1 ZINC001465475539 1009373342 /nfs/dbraw/zinc/37/33/42/1009373342.db2.gz ZAOZFLPZXVZUSM-UHFFFAOYSA-N -1 0 312.282 -0.923 20 0 DBADRM O=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001465506357 1009374908 /nfs/dbraw/zinc/37/49/08/1009374908.db2.gz BKLLBDNNWRDTJJ-SECBINFHSA-N -1 0 317.305 -0.564 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)c2c[n-]ncc2=O)cn1 ZINC001465541779 1009379679 /nfs/dbraw/zinc/37/96/79/1009379679.db2.gz SVQZFRKPSPXNLL-UHFFFAOYSA-N -1 0 320.309 -0.606 20 0 DBADRM COC(=O)[C@@]1(NC(=O)CSc2n[nH]c(=O)[n-]2)CCOC1 ZINC001465765791 1009384092 /nfs/dbraw/zinc/38/40/92/1009384092.db2.gz ZLMHPBDIAYVWCR-SNVBAGLBSA-N -1 0 302.312 -0.949 20 0 DBADRM COc1ccc([C@H](CCO)NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001466092870 1009395999 /nfs/dbraw/zinc/39/59/99/1009395999.db2.gz XRSBJZJCRZZINE-NSHDSACASA-N -1 0 322.321 -0.062 20 0 DBADRM C[C@@H](CO[N-]C(=O)Cn1cnc(N)n1)NC(=O)OC(C)(C)C ZINC001466138463 1009403968 /nfs/dbraw/zinc/40/39/68/1009403968.db2.gz XWAYVXXBNXNUJQ-QMMMGPOBSA-N -1 0 314.346 -0.179 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(Cn2ccnn2)CC1 ZINC001466138754 1009405522 /nfs/dbraw/zinc/40/55/22/1009405522.db2.gz FXRIENHKADWKMQ-UHFFFAOYSA-N -1 0 305.298 -0.573 20 0 DBADRM COC[C@@H](NC(=O)c1ncc(Br)cc1[O-])C(N)=O ZINC001466154524 1009407532 /nfs/dbraw/zinc/40/75/32/1009407532.db2.gz FFXZMUULWLZIEK-ZCFIWIBFSA-N -1 0 318.127 -0.220 20 0 DBADRM CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C1(C(N)=O)CCCC1 ZINC001466160207 1009408267 /nfs/dbraw/zinc/40/82/67/1009408267.db2.gz NSQZDPQQNYGIJU-UHFFFAOYSA-N -1 0 311.342 -0.274 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCCc1nnc2n1CCCC2 ZINC001466330881 1009416003 /nfs/dbraw/zinc/41/60/03/1009416003.db2.gz UCELPGQHEMNHJQ-UHFFFAOYSA-N -1 0 304.358 -0.191 20 0 DBADRM Cn1c(CNC(=O)Cn2c(=O)[n-][nH]c2=O)nnc1C1CCC1 ZINC001466374973 1009420096 /nfs/dbraw/zinc/42/00/96/1009420096.db2.gz OGZJWZLFVFXMFT-UHFFFAOYSA-N -1 0 307.314 -0.598 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001466435392 1009426895 /nfs/dbraw/zinc/42/68/95/1009426895.db2.gz SIKSPCSXJJIIFJ-ISVAXAHUSA-N -1 0 312.326 -0.073 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@@]2(O)CCSC2)ccc1[O-] ZINC001466544582 1009430313 /nfs/dbraw/zinc/43/03/13/1009430313.db2.gz FCIQBDLITFVPRY-LLVKDONJSA-N -1 0 318.376 -0.154 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC001466547437 1009430604 /nfs/dbraw/zinc/43/06/04/1009430604.db2.gz RCICMVYBDBRNON-GXSJLCMTSA-N -1 0 320.357 -0.110 20 0 DBADRM O=C([N-]N1C(=O)c2ccccc2C1=O)c1nc2n(n1)CCCN2 ZINC001466698369 1009440759 /nfs/dbraw/zinc/44/07/59/1009440759.db2.gz VXNLGIPWCHRIDK-UHFFFAOYSA-N -1 0 312.289 -0.708 20 0 DBADRM CCN1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1=O ZINC001466756978 1009444057 /nfs/dbraw/zinc/44/40/57/1009444057.db2.gz XSPJGEHCRCQOTL-UHFFFAOYSA-N -1 0 315.337 -0.621 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001466838201 1009451986 /nfs/dbraw/zinc/45/19/86/1009451986.db2.gz UEFZGKVMMKFUTF-QWRGUYRKSA-N -1 0 318.395 -0.084 20 0 DBADRM O=C(Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)[N-]OCCO ZINC001467301095 1009478862 /nfs/dbraw/zinc/47/88/62/1009478862.db2.gz IWCLMLFIXWUQSH-MRVPVSSYSA-N -1 0 320.392 -0.372 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1n[n-]c(=S)o1 ZINC001467310122 1009484794 /nfs/dbraw/zinc/48/47/94/1009484794.db2.gz IPGOUDZOOBIVQV-SSDOTTSWSA-N -1 0 320.396 -0.559 20 0 DBADRM O=C(c1ncnc2[nH]ccc21)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001467455176 1009494893 /nfs/dbraw/zinc/49/48/93/1009494893.db2.gz AXBJRQBYIFJLTO-UHFFFAOYSA-N -1 0 314.309 -0.454 20 0 DBADRM O=C(c1cn2c(n1)COCC2)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001467456534 1009496291 /nfs/dbraw/zinc/49/62/91/1009496291.db2.gz VFKPOJZBZPOGGG-UHFFFAOYSA-N -1 0 319.325 -0.950 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC001467456890 1009496973 /nfs/dbraw/zinc/49/69/73/1009496973.db2.gz WVEFSNYYFVVBPO-ZDUSSCGKSA-N -1 0 322.369 -0.732 20 0 DBADRM O=C(c1ccc(CO)cc1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001467456941 1009497059 /nfs/dbraw/zinc/49/70/59/1009497059.db2.gz YRKGIFLWOILIEB-UHFFFAOYSA-N -1 0 303.322 -0.184 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001448082476 1009521416 /nfs/dbraw/zinc/52/14/16/1009521416.db2.gz TWZWNGGXYYNSDP-SSDOTTSWSA-N -1 0 320.275 -0.341 20 0 DBADRM CCC[C@H](C)C(=O)N[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001448107252 1009535159 /nfs/dbraw/zinc/53/51/59/1009535159.db2.gz SYDSCGRHPDOZFJ-DTWKUNHWSA-N -1 0 313.358 -0.254 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@H]1CCCS1(=O)=O ZINC001468074953 1009538546 /nfs/dbraw/zinc/53/85/46/1009538546.db2.gz BIJDQWDMDGCEEI-MRVPVSSYSA-N -1 0 318.355 -0.837 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H](CO)Cc2ccccc21 ZINC001468317599 1009558120 /nfs/dbraw/zinc/55/81/20/1009558120.db2.gz VIDYKGLYZVAYAC-VIFPVBQESA-N -1 0 304.306 -0.113 20 0 DBADRM CN(C[C@H]1CCC[C@H]1O)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001598454955 1017270153 /nfs/dbraw/zinc/27/01/53/1017270153.db2.gz KINQSNYNVPFUFG-MWLCHTKSSA-N -1 0 311.342 -0.221 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC001468500044 1009568308 /nfs/dbraw/zinc/56/83/08/1009568308.db2.gz FOMIJQVMWTXIRO-UHFFFAOYSA-N -1 0 302.356 -0.721 20 0 DBADRM C[C@@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1CSCCSC1 ZINC001468542128 1009572199 /nfs/dbraw/zinc/57/21/99/1009572199.db2.gz QSQSXSBVSKXQPH-LURJTMIESA-N -1 0 305.385 -0.155 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@H](c2nncn2C)C1 ZINC001598470226 1017271997 /nfs/dbraw/zinc/27/19/97/1017271997.db2.gz BKRRDLKANWJEOH-VIFPVBQESA-N -1 0 317.371 -0.744 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@@H]1C1OCCO1 ZINC001598470547 1017272200 /nfs/dbraw/zinc/27/22/00/1017272200.db2.gz OEVQEKABDOKKNB-SECBINFHSA-N -1 0 308.356 -0.525 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCO[C@H]1CCCCO1 ZINC001598471129 1017272692 /nfs/dbraw/zinc/27/26/92/1017272692.db2.gz MDGGKGQLJSPENL-NSHDSACASA-N -1 0 310.372 -0.230 20 0 DBADRM CN(C[C@@H]1COCCO1)c1nnnn1[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001598468064 1017272995 /nfs/dbraw/zinc/27/29/95/1017272995.db2.gz RLNLRGORRKOHMI-OUAUKWLOSA-N -1 0 311.342 -0.050 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCOC[C@@H]1CC(F)F ZINC001598471259 1017273092 /nfs/dbraw/zinc/27/30/92/1017273092.db2.gz YVTDMOFXJBFTFE-QMMMGPOBSA-N -1 0 316.326 -0.006 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@@H](CO)Cc1ccco1 ZINC001598470985 1017273146 /nfs/dbraw/zinc/27/31/46/1017273146.db2.gz DYOXZSLCEPEVNM-JTQLQIEISA-N -1 0 320.367 -0.329 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCOC12CCOCC2 ZINC001598471342 1017274259 /nfs/dbraw/zinc/27/42/59/1017274259.db2.gz ITPIKWIUPMEOOW-SNVBAGLBSA-N -1 0 322.383 -0.435 20 0 DBADRM CN(CCCN(C)c1ccnc(C(=O)[O-])n1)C(=O)c1nc[nH]n1 ZINC001598478165 1017274361 /nfs/dbraw/zinc/27/43/61/1017274361.db2.gz KWDKZDVIJBKDST-UHFFFAOYSA-N -1 0 319.325 -0.109 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC1(c2nc[nH]n2)CCC1 ZINC001598471438 1017275195 /nfs/dbraw/zinc/27/51/95/1017275195.db2.gz MBUAUEDMKIOXQR-UHFFFAOYSA-N -1 0 303.344 -0.575 20 0 DBADRM CN(CCCCCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)C(N)=O ZINC001598475684 1017275443 /nfs/dbraw/zinc/27/54/43/1017275443.db2.gz HJCGTNBDLDUDTN-UWVGGRQHSA-N -1 0 313.354 -0.673 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCOC12CCOCC2 ZINC001598471337 1017275575 /nfs/dbraw/zinc/27/55/75/1017275575.db2.gz ITPIKWIUPMEOOW-JTQLQIEISA-N -1 0 322.383 -0.435 20 0 DBADRM Cc1cocc1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001448186245 1009599560 /nfs/dbraw/zinc/59/95/60/1009599560.db2.gz HZDMGHRLUBBORS-UHFFFAOYSA-N -1 0 321.337 -0.221 20 0 DBADRM CN(CCCNC(=O)c1cnccn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598481084 1017276871 /nfs/dbraw/zinc/27/68/71/1017276871.db2.gz FKJCOZMACJXVAG-NXEZZACHSA-N -1 0 306.322 -0.224 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@@H](C2OCCO2)C1 ZINC001598481045 1017277081 /nfs/dbraw/zinc/27/70/81/1017277081.db2.gz UHWVTJGDPRKQON-SECBINFHSA-N -1 0 308.356 -0.668 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1cncnc1 ZINC001598480727 1017277115 /nfs/dbraw/zinc/27/71/15/1017277115.db2.gz ZNVQXNLETJCMOU-MNOVXSKESA-N -1 0 306.322 -0.224 20 0 DBADRM CN(CCCNC(=O)c1cncn1C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598481156 1017277243 /nfs/dbraw/zinc/27/72/43/1017277243.db2.gz IFKIOTZZMOXTBR-VHSXEESVSA-N -1 0 308.338 -0.281 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)[C@H]1CCN2CCO[C@H]1C2 ZINC001598479835 1017277611 /nfs/dbraw/zinc/27/76/11/1017277611.db2.gz GZJIRQNEFAHSOF-QWRGUYRKSA-N -1 0 321.399 -0.957 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1cn(C)cn1 ZINC001598485188 1017278950 /nfs/dbraw/zinc/27/89/50/1017278950.db2.gz CUMNHUBBWLITDF-ZJUUUORDSA-N -1 0 308.338 -0.329 20 0 DBADRM CN(CCN(C)c1ncc(C(=O)[O-])cn1)C(=O)C1(C(N)=O)CC1 ZINC001598484741 1017279124 /nfs/dbraw/zinc/27/91/24/1017279124.db2.gz HGIRJHBGNAXPGQ-UHFFFAOYSA-N -1 0 321.337 -0.665 20 0 DBADRM CN(CCCNC(=O)c1ccnn1C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598481246 1017280255 /nfs/dbraw/zinc/28/02/55/1017280255.db2.gz KHUASIDZPASSRU-ZJUUUORDSA-N -1 0 308.338 -0.281 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)CCc1cncn1C ZINC001598489508 1017281139 /nfs/dbraw/zinc/28/11/39/1017281139.db2.gz QWZDWPNHGPGGBA-RYUDHWBXSA-N -1 0 322.365 -0.352 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)Cc1cccnc1 ZINC001598489765 1017281772 /nfs/dbraw/zinc/28/17/72/1017281772.db2.gz XHFQRVILROPSCU-NEPJUHHUSA-N -1 0 305.334 -0.081 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])CC(=O)NCC1CCC1 ZINC001598489415 1017281863 /nfs/dbraw/zinc/28/18/63/1017281863.db2.gz PGPAFRBMUORNBF-NEPJUHHUSA-N -1 0 311.382 -0.329 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)CCc1ncccn1 ZINC001598489219 1017281968 /nfs/dbraw/zinc/28/19/68/1017281968.db2.gz LPGHGRSONGUWTP-GHMZBOCLSA-N -1 0 320.349 -0.296 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1c[n-]ncc1=O ZINC001469186514 1009639217 /nfs/dbraw/zinc/63/92/17/1009639217.db2.gz MZUKFQKPCQZIJT-SECBINFHSA-N -1 0 308.294 -0.924 20 0 DBADRM CCOC(=O)C(C)(C)ONC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001469541454 1009670424 /nfs/dbraw/zinc/67/04/24/1009670424.db2.gz PJASCVYPULMQPG-UHFFFAOYSA-N -1 0 316.314 -0.141 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@]1(C)Oc2ccccc2NC1=O ZINC001469794776 1009687932 /nfs/dbraw/zinc/68/79/32/1009687932.db2.gz AZDCGUMSAWWBFD-AWEZNQCLSA-N -1 0 307.306 -0.040 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC[S@@](=O)CC(F)(F)F ZINC001470057500 1009712071 /nfs/dbraw/zinc/71/20/71/1009712071.db2.gz MOPUQNHNAISMJJ-HXUWFJFHSA-N -1 0 316.261 -0.884 20 0 DBADRM O=C(c1cc(F)c[nH]c1=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448343668 1009730991 /nfs/dbraw/zinc/73/09/91/1009730991.db2.gz GQEAYNNTQBLCBL-UHFFFAOYSA-N -1 0 308.273 -0.437 20 0 DBADRM O=C([C@@H]1Cc2cccnc2C1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448354422 1009732254 /nfs/dbraw/zinc/73/22/54/1009732254.db2.gz XEKWXCCRULXOHN-LLVKDONJSA-N -1 0 314.349 -0.180 20 0 DBADRM O=C(C(=O)N1CCC(O)(c2nnn[n-]2)CC1)c1ccc(O)cc1 ZINC001448354811 1009732776 /nfs/dbraw/zinc/73/27/76/1009732776.db2.gz ZBVPFYIPVIPHEJ-UHFFFAOYSA-N -1 0 317.305 -0.402 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCOc2ccc(O)cc2C1 ZINC001470428517 1009744732 /nfs/dbraw/zinc/74/47/32/1009744732.db2.gz UXWIVYXQNDNHIL-UHFFFAOYSA-N -1 0 306.278 -0.184 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCC(CO)(CO)C1 ZINC001470548336 1009752901 /nfs/dbraw/zinc/75/29/01/1009752901.db2.gz OTKFZNOPZWFFNQ-UHFFFAOYSA-N -1 0 319.317 -0.153 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@H]2CC(=O)N(C)C2=O)cc1=O ZINC001448420044 1009762123 /nfs/dbraw/zinc/76/21/23/1009762123.db2.gz OTAVATHXVARSRQ-JTQLQIEISA-N -1 0 308.338 -0.752 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC001470701045 1009777026 /nfs/dbraw/zinc/77/70/26/1009777026.db2.gz HMZRVRHKCNIQRM-ZETCQYMHSA-N -1 0 324.263 -0.252 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1cc(Cn2cccn2)on1 ZINC001470661739 1009777147 /nfs/dbraw/zinc/77/71/47/1009777147.db2.gz SQFKQSIQDSWEPD-UHFFFAOYSA-N -1 0 302.250 -0.434 20 0 DBADRM COc1cccc2c(C(=O)[N-]n3ccc(=O)[nH]c3=O)cnn21 ZINC001470662320 1009779368 /nfs/dbraw/zinc/77/93/68/1009779368.db2.gz ZCOQHPBFBXFABU-UHFFFAOYSA-N -1 0 301.262 -0.011 20 0 DBADRM O=C(NCCCN1CCCS1(=O)=O)c1c[n-]ncc1=O ZINC001470902309 1009798329 /nfs/dbraw/zinc/79/83/29/1009798329.db2.gz HLMJRQAXQINJLE-UHFFFAOYSA-N -1 0 300.340 -0.662 20 0 DBADRM O=C(NC[C@H](CO)[C@H]1CCOC1)c1c[n-]n2c1nccc2=O ZINC001448484341 1009802474 /nfs/dbraw/zinc/80/24/74/1009802474.db2.gz YOISWWKNQWTNJQ-VHSXEESVSA-N -1 0 306.322 -0.603 20 0 DBADRM CC(=O)NCC(=O)N[C@H](C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001448491928 1009803690 /nfs/dbraw/zinc/80/36/90/1009803690.db2.gz CNMOLAIRHRWMLZ-SSDOTTSWSA-N -1 0 311.342 -0.816 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC[C@H](O)C(F)(F)F ZINC001448545907 1009816129 /nfs/dbraw/zinc/81/61/29/1009816129.db2.gz NBNOEYKTLPVQHA-ZETCQYMHSA-N -1 0 319.243 -0.499 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)c1[O-] ZINC001471389478 1009820833 /nfs/dbraw/zinc/82/08/33/1009820833.db2.gz KAURFVZVASFLDU-SECBINFHSA-N -1 0 308.338 -0.473 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001448634256 1009832066 /nfs/dbraw/zinc/83/20/66/1009832066.db2.gz ZKXZKWZNGHLOKX-RQJHMYQMSA-N -1 0 311.216 -0.632 20 0 DBADRM CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)CCc1nnn[n-]1 ZINC001471780083 1009844832 /nfs/dbraw/zinc/84/48/32/1009844832.db2.gz FGGAEXLLNPYEMT-UWVGGRQHSA-N -1 0 311.342 -0.251 20 0 DBADRM COC[C@@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)c1nnn[n-]1 ZINC001471845021 1009848745 /nfs/dbraw/zinc/84/87/45/1009848745.db2.gz CGJQYSGPOUVNJW-GHMZBOCLSA-N -1 0 316.321 -0.122 20 0 DBADRM O=C(c1cnn(CCO)c1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001471855218 1009850946 /nfs/dbraw/zinc/85/09/46/1009850946.db2.gz OJLSYWXRGZDJDI-JTQLQIEISA-N -1 0 305.342 -0.517 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)NCC(=O)[N-]OC)c1 ZINC001472186017 1009871870 /nfs/dbraw/zinc/87/18/70/1009871870.db2.gz RJDKZACETRNHPV-UHFFFAOYSA-N -1 0 307.353 -0.936 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](CNC(=O)OC(C)(C)C)OC ZINC001472185712 1009872233 /nfs/dbraw/zinc/87/22/33/1009872233.db2.gz MTVAJTWZDOUVOI-QMMMGPOBSA-N -1 0 305.331 -0.680 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C)c1nn(C)cc1[O-] ZINC001472236442 1009874621 /nfs/dbraw/zinc/87/46/21/1009874621.db2.gz KTOVLBRGYONNIZ-PSASIEDQSA-N -1 0 318.399 -0.123 20 0 DBADRM COC(=O)[C@@](C)(Cn1cccn1)NC(=O)c1cc(=O)n(C)[n-]1 ZINC001472282911 1009878066 /nfs/dbraw/zinc/87/80/66/1009878066.db2.gz CLIXWSIUDFKJNL-CYBMUJFWSA-N -1 0 307.310 -0.316 20 0 DBADRM Cn1cc([C@@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1 ZINC001472328531 1009880711 /nfs/dbraw/zinc/88/07/11/1009880711.db2.gz MJUMXZOVPDHRLT-SSDOTTSWSA-N -1 0 305.298 -0.569 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)c2cn3c(n2)COCC3)n[n-]1 ZINC001472498061 1009888232 /nfs/dbraw/zinc/88/82/32/1009888232.db2.gz HTGWURMPNTZTIC-UHFFFAOYSA-N -1 0 312.311 -0.813 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2ccccn2)c1[O-] ZINC001448827819 1009916862 /nfs/dbraw/zinc/91/68/62/1009916862.db2.gz DMMWBSORDSPAPT-NSHDSACASA-N -1 0 305.338 -0.301 20 0 DBADRM Cc1ncc(CN[C@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001448844715 1009958969 /nfs/dbraw/zinc/95/89/69/1009958969.db2.gz UXUZZRLRAIUAIS-VIFPVBQESA-N -1 0 309.326 -0.399 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C1(C(F)F)CC1 ZINC001448846441 1009964074 /nfs/dbraw/zinc/96/40/74/1009964074.db2.gz RKICFXPYBQGRAL-LURJTMIESA-N -1 0 305.285 -0.878 20 0 DBADRM O=C1CCCC(=O)N1CCNS(=O)(=O)c1ccns1 ZINC001475012064 1009994766 /nfs/dbraw/zinc/99/47/66/1009994766.db2.gz BIJWBWBYUIKAOH-UHFFFAOYSA-N -1 0 303.365 -0.040 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCC[C@@H](C)CO)n[nH]1 ZINC001475167322 1010003274 /nfs/dbraw/zinc/00/32/74/1010003274.db2.gz OUQKQGGVFWGHKH-MRVPVSSYSA-N -1 0 305.356 -0.117 20 0 DBADRM CCOC(=O)c1n[nH]c([C@H](C)NS(=O)(=O)N2CCCC2)n1 ZINC001475481569 1010029521 /nfs/dbraw/zinc/02/95/21/1010029521.db2.gz YKDKUFDZMCJKNF-QMMMGPOBSA-N -1 0 317.371 -0.027 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)CCOC1CCOCC1 ZINC001475457708 1010029590 /nfs/dbraw/zinc/02/95/90/1010029590.db2.gz BWFONTIWTOWLEG-UHFFFAOYSA-N -1 0 310.372 -0.831 20 0 DBADRM CC[C@@](COC)(NC(=O)c1ccnc2c1nnn2C)C(=O)[O-] ZINC001595194365 1017080513 /nfs/dbraw/zinc/08/05/13/1017080513.db2.gz NZQFFUCYPUGKKE-ZDUSSCGKSA-N -1 0 307.310 -0.027 20 0 DBADRM CCOCCOCC[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC001475716901 1010053174 /nfs/dbraw/zinc/05/31/74/1010053174.db2.gz WLOVFUZXHYGPIX-UHFFFAOYSA-N -1 0 322.339 -0.207 20 0 DBADRM CC[C@](COC)(NCc1nc(CC(=O)NC)no1)C(=O)[O-] ZINC001595199478 1017080943 /nfs/dbraw/zinc/08/09/43/1017080943.db2.gz HULUKSTYZBBERC-GFCCVEGCSA-N -1 0 300.315 -0.673 20 0 DBADRM CC[C@H](NC(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)C(=O)[O-] ZINC001595241497 1017081117 /nfs/dbraw/zinc/08/11/17/1017081117.db2.gz GHVADTXZSDBPBW-QMMMGPOBSA-N -1 0 307.310 -0.019 20 0 DBADRM CC[C@@H](Cc1cn(CCN2CCCS2(=O)=O)nn1)C(=O)[O-] ZINC001595219715 1017081184 /nfs/dbraw/zinc/08/11/84/1017081184.db2.gz RUOYOHBIQZCMSV-JTQLQIEISA-N -1 0 316.383 -0.033 20 0 DBADRM CC[C@@](COC)(NS(=O)(=O)c1c(N)noc1C)C(=O)[O-] ZINC001595200359 1017081235 /nfs/dbraw/zinc/08/12/35/1017081235.db2.gz YKYZOJPOPIBXSY-JTQLQIEISA-N -1 0 307.328 -0.277 20 0 DBADRM CC[C@@](COC)(NS(=O)(=O)CC1(C(=O)OC)CC1)C(=O)[O-] ZINC001595200065 1017081404 /nfs/dbraw/zinc/08/14/04/1017081404.db2.gz SMCJOIKFYLOTKT-LBPRGKRZSA-N -1 0 323.367 -0.261 20 0 DBADRM CC[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@H]1CCCOC1 ZINC001595230117 1017081484 /nfs/dbraw/zinc/08/14/84/1017081484.db2.gz OSBIXYCYGZYFQM-GUBZILKMSA-N -1 0 304.318 -0.153 20 0 DBADRM CC[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@@H]1CCCCO1 ZINC001595228086 1017081563 /nfs/dbraw/zinc/08/15/63/1017081563.db2.gz BVBQLRXXTDRIPF-GUBZILKMSA-N -1 0 304.318 -0.011 20 0 DBADRM CC[C@H](F)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001595222894 1017081670 /nfs/dbraw/zinc/08/16/70/1017081670.db2.gz MLRDVKMYMKOQAP-DJLDLDEBSA-N -1 0 312.301 -0.411 20 0 DBADRM CC[C@H](CS(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])OC ZINC001595203594 1017081723 /nfs/dbraw/zinc/08/17/23/1017081723.db2.gz SXMRNAHBXLJBTQ-ZJUUUORDSA-N -1 0 322.383 -0.594 20 0 DBADRM CC[C@H](COC)NC(=O)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001595198663 1017081838 /nfs/dbraw/zinc/08/18/38/1017081838.db2.gz KSCZRIWLJHCZQF-NXEZZACHSA-N -1 0 318.395 -0.196 20 0 DBADRM CC[C@H](NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O)C(=O)[O-] ZINC001595265874 1017082386 /nfs/dbraw/zinc/08/23/86/1017082386.db2.gz IXQCHVPMGJFCFY-ZETCQYMHSA-N -1 0 316.339 -0.890 20 0 DBADRM CC[C@H](NC(=O)NCC1(C(=O)[O-])CC1)C(=O)N1CCOCC1 ZINC001595248635 1017082674 /nfs/dbraw/zinc/08/26/74/1017082674.db2.gz AYXATDSUJXLMGH-JTQLQIEISA-N -1 0 313.354 -0.212 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](CCSC)C(=O)NC ZINC001476594968 1010073892 /nfs/dbraw/zinc/07/38/92/1010073892.db2.gz IOPBMLNRPDGWBR-ZETCQYMHSA-N -1 0 301.376 -0.896 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC001476594832 1010074858 /nfs/dbraw/zinc/07/48/58/1010074858.db2.gz DZYKWBZFAXHHTE-SNVBAGLBSA-N -1 0 321.385 -0.117 20 0 DBADRM CC[C@@]1(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CCNC1=O ZINC001595366237 1017083553 /nfs/dbraw/zinc/08/35/53/1017083553.db2.gz WXYIHCLHGNGRBF-YMTOWFKASA-N -1 0 314.338 -0.375 20 0 DBADRM CC[C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC001595379435 1017084783 /nfs/dbraw/zinc/08/47/83/1017084783.db2.gz DKUIZSLWHQGJAS-NHYWBVRUSA-N -1 0 312.366 -0.069 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001595392450 1017085101 /nfs/dbraw/zinc/08/51/01/1017085101.db2.gz DHBFTKMTQDOMPF-IINYFYTJSA-N -1 0 314.338 -0.938 20 0 DBADRM CC[C@@H]1CC[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])O1 ZINC001595414332 1017085899 /nfs/dbraw/zinc/08/58/99/1017085899.db2.gz CPBITMSNDXMALI-KXUCPTDWSA-N -1 0 305.352 -0.346 20 0 DBADRM CC[C@@H]1[C@H](CO)CCN1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001595407672 1017087184 /nfs/dbraw/zinc/08/71/84/1017087184.db2.gz HYAQFOCNTFHFHQ-WDEREUQCSA-N -1 0 315.370 -0.230 20 0 DBADRM CC[C@H]1CC(=O)N(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1 ZINC001595406840 1017087433 /nfs/dbraw/zinc/08/74/33/1017087433.db2.gz AQUAPLHCWYUORC-QWRGUYRKSA-N -1 0 318.395 -0.224 20 0 DBADRM CC[C@H](C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1)N1CCO[C@@H](CC)C1 ZINC001595484526 1017087745 /nfs/dbraw/zinc/08/77/45/1017087745.db2.gz RTXNZBDAIPNDFL-UUIJZJDISA-N -1 0 314.382 -0.030 20 0 DBADRM CC[C@@H]1C(=O)NCCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001595404302 1017087771 /nfs/dbraw/zinc/08/77/71/1017087771.db2.gz FLFBCJWDMSMNOZ-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CC[C@H](C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])N1CCO[C@@H](CC)C1 ZINC001595484703 1017087812 /nfs/dbraw/zinc/08/78/12/1017087812.db2.gz XHMWPBFBXLYETE-YVECIDJPSA-N -1 0 314.382 -0.078 20 0 DBADRM CC[C@@H]1CN(CC(=O)NCCC(=O)[O-])C[C@H](C)S1(=O)=O ZINC001595481722 1017087889 /nfs/dbraw/zinc/08/78/89/1017087889.db2.gz ARISXAVSYKWBHD-VHSXEESVSA-N -1 0 306.384 -0.525 20 0 DBADRM CCC[C@H](C(=O)N1CCSC[C@H]1CC(=O)[O-])S(N)(=O)=O ZINC001595532116 1017088830 /nfs/dbraw/zinc/08/88/30/1017088830.db2.gz DMKFWMHETAOVCS-RKDXNWHRSA-N -1 0 324.424 -0.138 20 0 DBADRM CCC[C@@H](C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])S(N)(=O)=O ZINC001595535308 1017088886 /nfs/dbraw/zinc/08/88/86/1017088886.db2.gz AEHZLMZKKLUCQN-RITPCOANSA-N -1 0 320.289 -0.035 20 0 DBADRM CCCC(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)C1 ZINC001595522018 1017088991 /nfs/dbraw/zinc/08/89/91/1017088991.db2.gz JEOOFLYVEHGGEL-CHWSQXEVSA-N -1 0 323.393 -0.138 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)CCc1ncccn1 ZINC001598489220 1017283312 /nfs/dbraw/zinc/28/33/12/1017283312.db2.gz LPGHGRSONGUWTP-MNOVXSKESA-N -1 0 320.349 -0.296 20 0 DBADRM CN(CCNC(=O)[C@]1(C)CCNC1=O)c1ncc(C(=O)[O-])cn1 ZINC001598489024 1017283326 /nfs/dbraw/zinc/28/33/26/1017283326.db2.gz JKHPHNIZAAAVBJ-CQSZACIVSA-N -1 0 321.337 -0.747 20 0 DBADRM CN(CCNC(=O)[C@H]1CCC(=O)NC1)c1ncc(C(=O)[O-])cn1 ZINC001598490469 1017283901 /nfs/dbraw/zinc/28/39/01/1017283901.db2.gz HPDAEZPPVLEGOH-VIFPVBQESA-N -1 0 321.337 -0.747 20 0 DBADRM CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001598543168 1017296652 /nfs/dbraw/zinc/29/66/52/1017296652.db2.gz VSUWLUZYRAPXRT-DTORHVGOSA-N -1 0 304.368 -0.233 20 0 DBADRM CN(CCNC(=O)CNC(=O)C1CC1)c1ncc(C(=O)[O-])cn1 ZINC001598491377 1017285582 /nfs/dbraw/zinc/28/55/82/1017285582.db2.gz XSNRJEWOOIGRIR-UHFFFAOYSA-N -1 0 321.337 -0.747 20 0 DBADRM CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1nc(N(C)C)no1 ZINC001598490832 1017285640 /nfs/dbraw/zinc/28/56/40/1017285640.db2.gz JSSPCYJWIQNWKS-BDAKNGLRSA-N -1 0 311.342 -0.596 20 0 DBADRM CN(CCNC(=O)c1cc[n+]([O-])cc1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598492035 1017285930 /nfs/dbraw/zinc/28/59/30/1017285930.db2.gz CKRUDSCIUAEOQV-MNOVXSKESA-N -1 0 307.306 -0.771 20 0 DBADRM CN(C)c1noc(CNCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001598494965 1017288305 /nfs/dbraw/zinc/28/83/05/1017288305.db2.gz CURAEPAWFCCJPA-DTWKUNHWSA-N -1 0 311.342 -0.596 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC001479462656 1010290067 /nfs/dbraw/zinc/29/00/67/1010290067.db2.gz BVYJCAFPVMHDLH-CMPLNLGQSA-N -1 0 315.370 -0.327 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H](C1CC1)C1(CO)CCOCC1 ZINC001479463520 1010292223 /nfs/dbraw/zinc/29/22/23/1010292223.db2.gz NUSJHQQKCHWFAQ-GFCCVEGCSA-N -1 0 315.370 -0.469 20 0 DBADRM CN(CCNCc1nnc2n1CCCC2)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598496024 1017290345 /nfs/dbraw/zinc/29/03/45/1017290345.db2.gz VTSXQKSIPYTHMM-WDEREUQCSA-N -1 0 321.381 -0.117 20 0 DBADRM CN(CCNc1ccc2nccnc2n1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598495735 1017290351 /nfs/dbraw/zinc/29/03/51/1017290351.db2.gz NEQNEBXASVUKKV-NXEZZACHSA-N -1 0 315.333 -0.011 20 0 DBADRM CN(CCO)CCNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001598496517 1017290408 /nfs/dbraw/zinc/29/04/08/1017290408.db2.gz OOUBFZOTKHCRCQ-UHFFFAOYSA-N -1 0 308.381 -0.351 20 0 DBADRM CN(CCOC(C)(C)C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001598496805 1017290466 /nfs/dbraw/zinc/29/04/66/1017290466.db2.gz HOGRKWGCYBJWTI-JTQLQIEISA-N -1 0 316.354 -0.428 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H]1CCNC(=O)C1 ZINC001598495816 1017290820 /nfs/dbraw/zinc/29/08/20/1017290820.db2.gz OQUKVCFXYJYPRT-VIFPVBQESA-N -1 0 321.337 -0.429 20 0 DBADRM CN(CCNCc1nnc2n1CCCC2)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598496017 1017290944 /nfs/dbraw/zinc/29/09/44/1017290944.db2.gz VTSXQKSIPYTHMM-GHMZBOCLSA-N -1 0 321.381 -0.117 20 0 DBADRM CN(CCNc1ncnc2c1cnn2C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598495860 1017291536 /nfs/dbraw/zinc/29/15/36/1017291536.db2.gz PLUMZDRXCXNYEU-DTWKUNHWSA-N -1 0 318.337 -0.046 20 0 DBADRM CN(CCOCCNC(=O)c1cn[nH]c1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598497809 1017292984 /nfs/dbraw/zinc/29/29/84/1017292984.db2.gz LADBPFRCDLITAF-MNOVXSKESA-N -1 0 324.337 -0.665 20 0 DBADRM CN(CCn1cccn1)C(=O)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001598504052 1017293040 /nfs/dbraw/zinc/29/30/40/1017293040.db2.gz XDSTXWJUGWXSEC-UHFFFAOYSA-N -1 0 308.338 -0.289 20 0 DBADRM CN(CCc1cnccn1)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598502967 1017293149 /nfs/dbraw/zinc/29/31/49/1017293149.db2.gz VYDFFYKQJUBEKD-UHFFFAOYSA-N -1 0 311.323 -0.239 20 0 DBADRM CN(CCOCCNC(=O)c1ccn[nH]1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598498536 1017293280 /nfs/dbraw/zinc/29/32/80/1017293280.db2.gz ZMGCQIGHGADYOY-NXEZZACHSA-N -1 0 324.337 -0.665 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001598500741 1017293447 /nfs/dbraw/zinc/29/34/47/1017293447.db2.gz VTFCNPHRVZCAMK-HWKANZROSA-N -1 0 302.308 -0.262 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001598539573 1017295022 /nfs/dbraw/zinc/29/50/22/1017295022.db2.gz ORNYQZKUAOYACF-UHFFFAOYSA-N -1 0 304.310 -0.222 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001598533874 1017295587 /nfs/dbraw/zinc/29/55/87/1017295587.db2.gz JEFKLJQLORBESL-CQSZACIVSA-N -1 0 324.381 -0.464 20 0 DBADRM CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001598539784 1017295931 /nfs/dbraw/zinc/29/59/31/1017295931.db2.gz XZHNSEQAVSZGEE-ZKCHVHJHSA-N -1 0 320.309 -0.578 20 0 DBADRM CN(Cc1nncn1C)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001598541298 1017296068 /nfs/dbraw/zinc/29/60/68/1017296068.db2.gz PSTNGQOMQXNQHO-UHFFFAOYSA-N -1 0 302.356 -0.168 20 0 DBADRM CN(Cc1ccccc1S(N)(=O)=O)C[C@@](C)(O)C(=O)[O-] ZINC001598530368 1017296151 /nfs/dbraw/zinc/29/61/51/1017296151.db2.gz CCBHHTPOSJTAIL-GFCCVEGCSA-N -1 0 302.352 -0.399 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)CC1CCC1 ZINC001449187290 1010352029 /nfs/dbraw/zinc/35/20/29/1010352029.db2.gz KOCHWAIRPPHVAF-LLVKDONJSA-N -1 0 311.386 -0.048 20 0 DBADRM CCO[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001449191356 1010357782 /nfs/dbraw/zinc/35/77/82/1010357782.db2.gz GXUKXALGMKGWCG-ZJUUUORDSA-N -1 0 315.374 -0.814 20 0 DBADRM Cc1conc1CN(C)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001479781910 1010376232 /nfs/dbraw/zinc/37/62/32/1010376232.db2.gz ABLXIMZRKCYWKR-UHFFFAOYSA-N -1 0 322.325 -0.169 20 0 DBADRM CN(CCCNC(=O)[C@]1(C)CCNC(=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001479777849 1010376759 /nfs/dbraw/zinc/37/67/59/1010376759.db2.gz DUJNWCDLHZBOHD-CQSZACIVSA-N -1 0 324.385 -0.635 20 0 DBADRM CN(CCCNC(=O)[C@@]1(C)CCC(=O)NC1)Cc1n[nH]c(=O)[n-]1 ZINC001479791067 1010384078 /nfs/dbraw/zinc/38/40/78/1010384078.db2.gz BRNHFQFENVUKNA-AWEZNQCLSA-N -1 0 324.385 -0.635 20 0 DBADRM C[C@H](C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1)[C@H]1CCC(=O)N1 ZINC001479798408 1010390596 /nfs/dbraw/zinc/39/05/96/1010390596.db2.gz WRXKKVVRNBZTDA-VHSXEESVSA-N -1 0 324.385 -0.637 20 0 DBADRM COc1cncc(C(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001479800826 1010391297 /nfs/dbraw/zinc/39/12/97/1010391297.db2.gz WVRZJPZXFVJSFW-UHFFFAOYSA-N -1 0 321.341 -0.439 20 0 DBADRM COc1ccc(C(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001479806686 1010396138 /nfs/dbraw/zinc/39/61/38/1010396138.db2.gz YKQACIWUYSRZSA-UHFFFAOYSA-N -1 0 321.341 -0.439 20 0 DBADRM CN1CCO[C@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C1=O ZINC001449240888 1010400217 /nfs/dbraw/zinc/40/02/17/1010400217.db2.gz MZYCOCQCTVCMRN-SNVBAGLBSA-N -1 0 317.305 -0.027 20 0 DBADRM CC1CC(C(=O)NCCN2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001479928156 1010447350 /nfs/dbraw/zinc/44/73/50/1010447350.db2.gz CQNRUJISVSIVBA-UHFFFAOYSA-N -1 0 322.413 -0.210 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)CCCF ZINC001449459569 1010482075 /nfs/dbraw/zinc/48/20/75/1010482075.db2.gz HGEZMGONTJZDMB-UHFFFAOYSA-N -1 0 315.305 -0.389 20 0 DBADRM COCCCOCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001479967778 1010487101 /nfs/dbraw/zinc/48/71/01/1010487101.db2.gz KGCVIOQNZDJIEW-JTQLQIEISA-N -1 0 313.358 -0.746 20 0 DBADRM CCN(CCNC(=O)c1cnon1)C(=O)c1n[nH]c(C)c1[O-] ZINC001449497701 1010492471 /nfs/dbraw/zinc/49/24/71/1010492471.db2.gz WMOQBPSOYOAGTO-UHFFFAOYSA-N -1 0 308.298 -0.301 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCCN1C(=O)C1CCC1 ZINC001449622003 1010527850 /nfs/dbraw/zinc/52/78/50/1010527850.db2.gz NEHHGXUPRUZZCN-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM CCC[C@H](C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])S(N)(=O)=O ZINC001595535301 1017089610 /nfs/dbraw/zinc/08/96/10/1017089610.db2.gz AEHZLMZKKLUCQN-NTSWFWBYSA-N -1 0 320.289 -0.035 20 0 DBADRM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC001595506185 1017090235 /nfs/dbraw/zinc/09/02/35/1017090235.db2.gz RWYRSZHTNVODKX-DQRKKKBRSA-N -1 0 316.379 -0.194 20 0 DBADRM CC[C@H]1COCCN1C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001595500600 1017090359 /nfs/dbraw/zinc/09/03/59/1017090359.db2.gz RBLDWOBHPASLHF-JTQLQIEISA-N -1 0 324.337 -0.148 20 0 DBADRM CCCC(=O)NCC(=O)N(C)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001595527512 1017090423 /nfs/dbraw/zinc/09/04/23/1017090423.db2.gz KUJQQULDTOGXLR-VHSXEESVSA-N -1 0 313.354 -0.802 20 0 DBADRM CCCC(=O)N1CCC(CO)(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001595521747 1017090642 /nfs/dbraw/zinc/09/06/42/1017090642.db2.gz ABTDJUWLUSIPRK-WDEREUQCSA-N -1 0 312.366 -0.023 20 0 DBADRM CCC[C@@H](OC)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001595610371 1017091621 /nfs/dbraw/zinc/09/16/21/1017091621.db2.gz BMGUNGDTCMVEPB-NXEZZACHSA-N -1 0 307.368 -0.098 20 0 DBADRM CCC[C@@H](C(=O)N[C@@]1(CC(=O)[O-])CCOC1)S(N)(=O)=O ZINC001595536340 1017091963 /nfs/dbraw/zinc/09/19/63/1017091963.db2.gz XFVNAIOCSLYGRJ-GZMMTYOYSA-N -1 0 308.356 -0.806 20 0 DBADRM CCC[C@@H](C)N1C[C@H](C(=O)NCC(=O)NCC(=O)[O-])CC1=O ZINC001595580013 1017092175 /nfs/dbraw/zinc/09/21/75/1017092175.db2.gz ZLMYTUSFNKSPTK-NXEZZACHSA-N -1 0 313.354 -0.660 20 0 DBADRM CCC[C@H](C(=O)N[C@H](C(=O)[O-])c1ccn(C)n1)S(N)(=O)=O ZINC001595536159 1017092243 /nfs/dbraw/zinc/09/22/43/1017092243.db2.gz QJENOMRWAMLGPJ-BDAKNGLRSA-N -1 0 318.355 -0.881 20 0 DBADRM CCC[C@H](C)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001595580088 1017092811 /nfs/dbraw/zinc/09/28/11/1017092811.db2.gz YRPFSYXWDPFZBR-DTWKUNHWSA-N -1 0 313.397 -0.312 20 0 DBADRM CCCC(=O)NCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001449780259 1010561957 /nfs/dbraw/zinc/56/19/57/1010561957.db2.gz BZJYPRAKWGMKJI-UHFFFAOYSA-N -1 0 309.326 -0.196 20 0 DBADRM CCC[C@@H](O)[C@H](CO)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001595609092 1017093412 /nfs/dbraw/zinc/09/34/12/1017093412.db2.gz OWVGDDWXVJITEC-WHOHXGKFSA-N -1 0 303.355 -0.106 20 0 DBADRM C[C@H](CNC(=O)C(C)(C)F)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001449789171 1010563640 /nfs/dbraw/zinc/56/36/40/1010563640.db2.gz MGQPSFUSILADBF-SSDOTTSWSA-N -1 0 317.321 -0.600 20 0 DBADRM CCCCC(=O)N1CC(CCO)(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001595625539 1017093923 /nfs/dbraw/zinc/09/39/23/1017093923.db2.gz FDOMIVHPVGMHPS-QWRGUYRKSA-N -1 0 312.366 -0.023 20 0 DBADRM CCCC[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001595635258 1017094470 /nfs/dbraw/zinc/09/44/70/1017094470.db2.gz HPRXGNRXICPNSB-SNVBAGLBSA-N -1 0 306.384 -0.524 20 0 DBADRM CCCC1(CNC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1 ZINC001595617604 1017095024 /nfs/dbraw/zinc/09/50/24/1017095024.db2.gz SBBJENNPKUMVBF-GHMZBOCLSA-N -1 0 312.366 -0.023 20 0 DBADRM CCCC[C@@H](C(=O)[O-])S(=O)(=O)CCCS(=O)(=O)NC ZINC001595629698 1017096443 /nfs/dbraw/zinc/09/64/43/1017096443.db2.gz MEFZUORVMSNUDO-VIFPVBQESA-N -1 0 315.413 -0.016 20 0 DBADRM CCCC1(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1 ZINC001595617605 1017096492 /nfs/dbraw/zinc/09/64/92/1017096492.db2.gz SBBJENNPKUMVBF-MNOVXSKESA-N -1 0 312.366 -0.023 20 0 DBADRM CCCC[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001595635257 1017096630 /nfs/dbraw/zinc/09/66/30/1017096630.db2.gz HPRXGNRXICPNSB-JTQLQIEISA-N -1 0 306.384 -0.524 20 0 DBADRM CC(C)C(=O)N(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001449897138 1010593256 /nfs/dbraw/zinc/59/32/56/1010593256.db2.gz FHRQPONFUHDHDB-UHFFFAOYSA-N -1 0 309.326 -0.340 20 0 DBADRM CCCCCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001595712195 1017098236 /nfs/dbraw/zinc/09/82/36/1017098236.db2.gz KAZNTZWGSKZHGM-MNOVXSKESA-N -1 0 300.355 -0.023 20 0 DBADRM CCCCNC(=O)CCN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001595754395 1017098873 /nfs/dbraw/zinc/09/88/73/1017098873.db2.gz OSRBMUGUWFSGOZ-NSHDSACASA-N -1 0 320.411 -0.134 20 0 DBADRM CCCCOCCNC(=O)CN1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001595771723 1017099262 /nfs/dbraw/zinc/09/92/62/1017099262.db2.gz IPBJYRICCZADRC-YPMHNXCESA-N -1 0 302.371 -0.171 20 0 DBADRM CCCCN(CCO)C(=O)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001595745029 1017099437 /nfs/dbraw/zinc/09/94/37/1017099437.db2.gz PFISFQUBZNDXLU-UHFFFAOYSA-N -1 0 300.355 -0.023 20 0 DBADRM CN1c2ccccc2C[C@@H](NC(=O)NCCOCC(=O)[O-])C1=O ZINC001598548487 1017298784 /nfs/dbraw/zinc/29/87/84/1017298784.db2.gz BYTOJHSXDXENDH-LLVKDONJSA-N -1 0 321.333 -0.026 20 0 DBADRM CN1C(=O)CCc2cc(C(=O)N3CC(O)(C(=O)[O-])C3)ccc21 ZINC001598550716 1017298818 /nfs/dbraw/zinc/29/88/18/1017298818.db2.gz VJGBPKIIPWSMBU-UHFFFAOYSA-N -1 0 304.302 -0.133 20 0 DBADRM CN1C(=O)C[C@@H](NS(=O)(=O)C2CCC(C(=O)[O-])CC2)C1=O ZINC001598549522 1017299252 /nfs/dbraw/zinc/29/92/52/1017299252.db2.gz RCQPKAQRPDUPHR-AMDVSUOASA-N -1 0 318.351 -0.694 20 0 DBADRM CN1C[C@@H](NC(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)CC1=O ZINC001598567515 1017309795 /nfs/dbraw/zinc/30/97/95/1017309795.db2.gz HFEWKZUNLDQWLI-DTWKUNHWSA-N -1 0 321.337 -0.054 20 0 DBADRM CN1C(=O)[C@H]2CN(C(=O)Nc3cc(C(=O)[O-])ccn3)C[C@H]2C1=O ZINC001598556159 1017300380 /nfs/dbraw/zinc/30/03/80/1017300380.db2.gz DFQVKRZEXLUDBF-DTORHVGOSA-N -1 0 318.289 -0.142 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1C[C@H]1C)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001450034765 1010618718 /nfs/dbraw/zinc/61/87/18/1010618718.db2.gz INVUTPAFTBSRRO-OPRDCNLKSA-N -1 0 322.365 -0.281 20 0 DBADRM CN1C(=O)NCC12CCN(C(=O)c1cnc(C(=O)[O-])cn1)CC2 ZINC001598556959 1017300608 /nfs/dbraw/zinc/30/06/08/1017300608.db2.gz PTLAELWCMAUDRP-UHFFFAOYSA-N -1 0 319.321 -0.195 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)C1=O ZINC001598551220 1017300630 /nfs/dbraw/zinc/30/06/30/1017300630.db2.gz NSWGJOWJBJKGHK-LBPRGKRZSA-N -1 0 321.289 -0.472 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001598552710 1017300720 /nfs/dbraw/zinc/30/07/20/1017300720.db2.gz AOHQYQXCIOQQJB-SOUAVXJDSA-N -1 0 300.336 -0.265 20 0 DBADRM CN1C(=O)CN(CC(=O)O[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1=O ZINC001598551939 1017300881 /nfs/dbraw/zinc/30/08/81/1017300881.db2.gz WRSHMUDMMARYQD-KYXWUPHJSA-N -1 0 310.306 -0.077 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001450049169 1010623023 /nfs/dbraw/zinc/62/30/23/1010623023.db2.gz JPJWEBAAOIYEAZ-CPOMMVLXSA-N -1 0 322.365 -0.107 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)NC[C@@H](O)CC(=O)[O-])[C@@H]1c1cccnc1 ZINC001598553922 1017301349 /nfs/dbraw/zinc/30/13/49/1017301349.db2.gz POVZVWISKHKKCC-WDMOLILDSA-N -1 0 321.333 -0.447 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)c3ccc(C(=O)[O-])[nH]3)CC2)C1=O ZINC001598555418 1017301424 /nfs/dbraw/zinc/30/14/24/1017301424.db2.gz LZHIAZSAWQNFDK-UHFFFAOYSA-N -1 0 320.305 -0.131 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1=O ZINC001598555586 1017301453 /nfs/dbraw/zinc/30/14/53/1017301453.db2.gz PUIQQPWYZMNPKM-OFYUCFFLSA-N -1 0 323.349 -0.066 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1=O ZINC001598551973 1017301487 /nfs/dbraw/zinc/30/14/87/1017301487.db2.gz YFJDNWARNRPFKG-RGOKHQFPSA-N -1 0 309.322 -0.504 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001598553258 1017301569 /nfs/dbraw/zinc/30/15/69/1017301569.db2.gz ICMMYZYGMZRSOP-ITXLNXHTSA-N -1 0 300.336 -0.265 20 0 DBADRM CN1C2(CCC2)COC[C@]1(CO)CNc1ccnc(C(=O)[O-])n1 ZINC001598556572 1017301602 /nfs/dbraw/zinc/30/16/02/1017301602.db2.gz QMIRCBMBGLXMKL-OAHLLOKOSA-N -1 0 322.365 -0.376 20 0 DBADRM CN1C(=O)C[C@@H](C(=O)NC[C@H](O)CC(=O)[O-])[C@@H]1c1cccnc1 ZINC001598553921 1017301885 /nfs/dbraw/zinc/30/18/85/1017301885.db2.gz POVZVWISKHKKCC-GYSYKLTISA-N -1 0 321.333 -0.447 20 0 DBADRM CN1C[C@H](C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)NC1=O ZINC001598559796 1017302802 /nfs/dbraw/zinc/30/28/02/1017302802.db2.gz LWQKHDCNYUOBAU-SECBINFHSA-N -1 0 310.310 -0.768 20 0 DBADRM CN1C[C@@H](C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)NC1=O ZINC001598559798 1017303238 /nfs/dbraw/zinc/30/32/38/1017303238.db2.gz LWQKHDCNYUOBAU-VIFPVBQESA-N -1 0 310.310 -0.768 20 0 DBADRM CC(=O)N1CC[C@H](CN(C)C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001450109857 1010637634 /nfs/dbraw/zinc/63/76/34/1010637634.db2.gz IUOBSIZWVRQZMU-SNVBAGLBSA-N -1 0 323.353 -0.458 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@@H](O)CC(=O)[O-])c2ccccc2C1=O ZINC001598558762 1017303365 /nfs/dbraw/zinc/30/33/65/1017303365.db2.gz DVLNJAAKEZVIBN-JOYOIKCWSA-N -1 0 306.318 -0.192 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001598561404 1017304051 /nfs/dbraw/zinc/30/40/51/1017304051.db2.gz AZZQLYZXGYHDFK-FXPVBKGRSA-N -1 0 306.322 -0.723 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1=O ZINC001598559982 1017304169 /nfs/dbraw/zinc/30/41/69/1017304169.db2.gz IAZDPSSIJIRTTK-SNVBAGLBSA-N -1 0 309.322 -0.050 20 0 DBADRM CN1C[C@H](C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])NCC1=O ZINC001598560278 1017304228 /nfs/dbraw/zinc/30/42/28/1017304228.db2.gz QTVXJCLCDZOARH-NWDGAFQWSA-N -1 0 311.382 -0.186 20 0 DBADRM CN1C[C@@H](C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1=O ZINC001598559719 1017304279 /nfs/dbraw/zinc/30/42/79/1017304279.db2.gz KKEBDFPFNXLFBL-IUCAKERBSA-N -1 0 307.310 -0.772 20 0 DBADRM CCCC(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001450208549 1010664058 /nfs/dbraw/zinc/66/40/58/1010664058.db2.gz WRYXCESFWSEQAW-QMMMGPOBSA-N -1 0 309.326 -0.196 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@@H]2Cc3cc(F)ccc3O2)CC1=O ZINC001598564276 1017308669 /nfs/dbraw/zinc/30/86/69/1017308669.db2.gz WYRLXRJWFUNETN-JQWIXIFHSA-N -1 0 322.292 -0.117 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C[C@H](O)CCC2(O)CCC2)CC1=O ZINC001598564108 1017308742 /nfs/dbraw/zinc/30/87/42/1017308742.db2.gz QDMGAYAZAVGVGS-MNOVXSKESA-N -1 0 300.355 -0.730 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2C3CCC2(C(=O)[O-])CC3)C1=O ZINC001598545962 1017297848 /nfs/dbraw/zinc/29/78/48/1017297848.db2.gz SJJHCFZSVJZGNL-UHFFFAOYSA-N -1 0 309.278 -0.985 20 0 DBADRM CC(C)CC(=O)N[C@H](C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001450288778 1010679792 /nfs/dbraw/zinc/67/97/92/1010679792.db2.gz KNHNRXQOPKMOEE-MRVPVSSYSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001450418247 1010724249 /nfs/dbraw/zinc/72/42/49/1010724249.db2.gz JKZYJMWCETVAHN-UHFFFAOYSA-N -1 0 323.353 -0.721 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc(Cn2cncn2)cc1 ZINC001450469661 1010736928 /nfs/dbraw/zinc/73/69/28/1010736928.db2.gz MAMRXYUAZSRVOG-UHFFFAOYSA-N -1 0 301.266 -0.287 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C(=O)O1 ZINC001450605492 1010771312 /nfs/dbraw/zinc/77/13/12/1010771312.db2.gz YHKOOINUNMAZBQ-OIBJUYFYSA-N -1 0 318.289 -0.300 20 0 DBADRM CN(Cc1nncn1C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001450687813 1010787116 /nfs/dbraw/zinc/78/71/16/1010787116.db2.gz GCRFRPOPKFXVDO-UHFFFAOYSA-N -1 0 315.293 -0.163 20 0 DBADRM CC(C)(CNC(=O)c1cccc(-n2[n-]nnc2=N)c1)OCCO ZINC001450722603 1010792488 /nfs/dbraw/zinc/79/24/88/1010792488.db2.gz JBDVNBZTPSEBLP-UHFFFAOYSA-N -1 0 320.353 -0.408 20 0 DBADRM CC[C@@H](CNC(=O)COC)NC(=O)c1c[n-]n2c1nccc2=O ZINC001450809121 1010800645 /nfs/dbraw/zinc/80/06/45/1010800645.db2.gz ZCGOVOJTBFEJMK-VIFPVBQESA-N -1 0 321.337 -0.706 20 0 DBADRM CCC(=O)NC[C@@H](CC)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001450804253 1010800714 /nfs/dbraw/zinc/80/07/14/1010800714.db2.gz YNTICBUGOQEWME-MRVPVSSYSA-N -1 0 311.342 -0.364 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H](CNC(=O)C1CC1)C1CC1 ZINC001450864934 1010809081 /nfs/dbraw/zinc/80/90/81/1010809081.db2.gz SRBLWNOHWBAZJC-JTQLQIEISA-N -1 0 323.353 -0.548 20 0 DBADRM CCN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001481000851 1010826024 /nfs/dbraw/zinc/82/60/24/1010826024.db2.gz IKLFJUSXCTYYJX-ZJUUUORDSA-N -1 0 324.385 -0.650 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@]12CCOC2)Cc1n[nH]c(=O)[n-]1 ZINC001481011377 1010827170 /nfs/dbraw/zinc/82/71/70/1010827170.db2.gz YTSIHYBPEFQHCS-YGRLFVJLSA-N -1 0 309.370 -0.125 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)Cn2ccnc2)c1[O-] ZINC001450996511 1010833243 /nfs/dbraw/zinc/83/32/43/1010833243.db2.gz MIRMBZORUAXBGI-SECBINFHSA-N -1 0 320.353 -0.103 20 0 DBADRM CCC(=O)N[C@@H](CC)CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001450999123 1010834442 /nfs/dbraw/zinc/83/44/42/1010834442.db2.gz IIIFNTNPQRDFLO-QMMMGPOBSA-N -1 0 311.342 -0.364 20 0 DBADRM CC[C@@H](CNC(=O)CCCF)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001451063364 1010845138 /nfs/dbraw/zinc/84/51/38/1010845138.db2.gz CBEHJGBBRKHCPF-ZETCQYMHSA-N -1 0 315.305 -0.343 20 0 DBADRM CCn1cc(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)nn1 ZINC001481191367 1010858751 /nfs/dbraw/zinc/85/87/51/1010858751.db2.gz DAVDHQCRWDINNQ-UHFFFAOYSA-N -1 0 320.357 -0.484 20 0 DBADRM CCC(=O)NC[C@](C)(NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001451267223 1010874598 /nfs/dbraw/zinc/87/45/98/1010874598.db2.gz ARZLTQSJDDEBLI-ZDUSSCGKSA-N -1 0 309.326 -0.293 20 0 DBADRM O=C(NC1CN(CCOCCO)C1)c1ccc2oc(=O)nc-2[n-]1 ZINC001481595961 1010927620 /nfs/dbraw/zinc/92/76/20/1010927620.db2.gz GWUKFWQAODKJLF-UHFFFAOYSA-N -1 0 322.321 -0.649 20 0 DBADRM CC(C)NC(=O)[C@@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001451448940 1010953503 /nfs/dbraw/zinc/95/35/03/1010953503.db2.gz BGGCEDALAGMLAB-SECBINFHSA-N -1 0 317.353 -0.282 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481712656 1010976554 /nfs/dbraw/zinc/97/65/54/1010976554.db2.gz GYEHIQTYIMNLCR-WPRPVWTQSA-N -1 0 310.358 -0.932 20 0 DBADRM CN(C(=O)C(C)(C)C(N)=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481729206 1010983350 /nfs/dbraw/zinc/98/33/50/1010983350.db2.gz AJNKTFSWNLLZOT-QMMMGPOBSA-N -1 0 310.358 -0.946 20 0 DBADRM CCN(C(=O)[C@@H](C)CC(N)=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481772210 1010995493 /nfs/dbraw/zinc/99/54/93/1010995493.db2.gz UKAAIIGWOQKDMO-VHSXEESVSA-N -1 0 324.385 -0.555 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)C(C)(C)C ZINC001451633659 1011016923 /nfs/dbraw/zinc/01/69/23/1011016923.db2.gz WYPVGRGFBFMMHN-QMMMGPOBSA-N -1 0 313.358 -0.396 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCCC1(O)CCC1 ZINC001451693184 1011025832 /nfs/dbraw/zinc/02/58/32/1011025832.db2.gz PIFAFPJBRWDESW-UHFFFAOYSA-N -1 0 305.338 -0.117 20 0 DBADRM CC(=O)N(C)c1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cn1 ZINC001451859125 1011059180 /nfs/dbraw/zinc/05/91/80/1011059180.db2.gz HVYWOARJLNPLMN-UHFFFAOYSA-N -1 0 306.282 -0.294 20 0 DBADRM CC(=O)N1CC[C@@H](C)[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001452310749 1011186304 /nfs/dbraw/zinc/18/63/04/1011186304.db2.gz ZCJDGFOHSZPTOF-PSASIEDQSA-N -1 0 311.342 -0.690 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@@]12CCOC2)Cc1n[nH]c(=O)[n-]1 ZINC001482641844 1011244380 /nfs/dbraw/zinc/24/43/80/1011244380.db2.gz YNJDNKGXYVUPIF-IINYFYTJSA-N -1 0 309.370 -0.173 20 0 DBADRM CN(CCN(C)C(=O)CCc1cnccn1)Cc1n[nH]c(=O)[n-]1 ZINC001482642073 1011247295 /nfs/dbraw/zinc/24/72/95/1011247295.db2.gz VQCAZZRGXZBQDM-UHFFFAOYSA-N -1 0 319.369 -0.177 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001482653423 1011253938 /nfs/dbraw/zinc/25/39/38/1011253938.db2.gz PIGRESRKOSGLAP-LLVKDONJSA-N -1 0 324.385 -0.589 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1c[nH]nc1Br ZINC001452428560 1011262867 /nfs/dbraw/zinc/26/28/67/1011262867.db2.gz BHOWINPOJSBVCT-UHFFFAOYSA-N -1 0 303.076 -0.186 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@]2(C)CNC(=O)C2)c1[O-] ZINC001452489340 1011282729 /nfs/dbraw/zinc/28/27/29/1011282729.db2.gz CJIMFMLGRNESON-UOWDBTKRSA-N -1 0 323.353 -0.816 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCCCC[C@H]1CO ZINC001452538642 1011297294 /nfs/dbraw/zinc/29/72/94/1011297294.db2.gz QDTFYINJEGEOND-JTQLQIEISA-N -1 0 305.338 -0.165 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)C[C@H]2CCC(=O)N2)c1[O-] ZINC001452606680 1011308011 /nfs/dbraw/zinc/30/80/11/1011308011.db2.gz FWSYPUDMSYOQBV-VXNVDRBHSA-N -1 0 323.353 -0.673 20 0 DBADRM CN1C[C@H](OC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)C[C@@H]1C(=O)[O-] ZINC001598568982 1017310196 /nfs/dbraw/zinc/31/01/96/1017310196.db2.gz GIQSZMQUENLEFU-UPUXHGCUSA-N -1 0 311.334 -0.071 20 0 DBADRM CN1C[C@@H](CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)OC1=O ZINC001598567023 1017310631 /nfs/dbraw/zinc/31/06/31/1017310631.db2.gz OZNYQMLBILNAQW-FZMZJTMJSA-N -1 0 313.354 -0.702 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])CCC1=O ZINC001598568880 1017310974 /nfs/dbraw/zinc/31/09/74/1017310974.db2.gz XFUHZZJMBSBVMA-VHSXEESVSA-N -1 0 311.338 -0.811 20 0 DBADRM CN1C[C@@H](CCNC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1=O ZINC001598565787 1017311210 /nfs/dbraw/zinc/31/12/10/1017311210.db2.gz JFVNHTWCOBYEPL-JTQLQIEISA-N -1 0 321.333 -0.469 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(Cc2nc(N)c3ccccc3n2)CC1=O ZINC001598565770 1017311388 /nfs/dbraw/zinc/31/13/88/1017311388.db2.gz IJJWBIDPIJIFSA-LLVKDONJSA-N -1 0 315.333 -0.061 20 0 DBADRM CN1CC[C@](C)(COC(=O)Cn2cccc(C(=O)[O-])c2=O)C1=O ZINC001598577278 1017313057 /nfs/dbraw/zinc/31/30/57/1017313057.db2.gz CJCYFWHTSSZXGM-OAHLLOKOSA-N -1 0 322.317 -0.042 20 0 DBADRM CN1C[C@H](OC(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC001598571971 1017313845 /nfs/dbraw/zinc/31/38/45/1017313845.db2.gz GTZIXVXLHCUFRE-MXWKQRLJSA-N -1 0 319.379 -0.098 20 0 DBADRM CN1CC[C@H](C(=O)OCc2nc(C(=O)[O-])cs2)S1(=O)=O ZINC001598577954 1017316430 /nfs/dbraw/zinc/31/64/30/1017316430.db2.gz KWNFZRNMAQWGDS-SSDOTTSWSA-N -1 0 320.348 -0.082 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1=O ZINC001598588061 1017322632 /nfs/dbraw/zinc/32/26/32/1017322632.db2.gz RTLYQWXVYZKDFR-ZETCQYMHSA-N -1 0 301.324 -0.388 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CC1=O ZINC001598581490 1017319212 /nfs/dbraw/zinc/31/92/12/1017319212.db2.gz VJTFSNZGAOXFBI-VHSXEESVSA-N -1 0 314.338 -0.423 20 0 DBADRM CN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001598585615 1017321261 /nfs/dbraw/zinc/32/12/61/1017321261.db2.gz UDSJACINTAHTPH-SECBINFHSA-N -1 0 313.335 -0.369 20 0 DBADRM CC(C)(F)C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001453086195 1011505800 /nfs/dbraw/zinc/50/58/00/1011505800.db2.gz PYPFMBOGJVSILG-LURJTMIESA-N -1 0 313.289 -0.638 20 0 DBADRM CC(=O)NCC(=O)NCC1(NC(=O)c2ccccc2O)CC1 ZINC001453296208 1011598285 /nfs/dbraw/zinc/59/82/85/1011598285.db2.gz STDYDPVAGNHQJJ-UHFFFAOYSA-N -1 0 305.334 -0.093 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)c2ncnn21 ZINC001453365468 1011639946 /nfs/dbraw/zinc/63/99/46/1011639946.db2.gz JIFAIZMAHXHAOX-JGVFFNPUSA-N -1 0 307.314 -0.117 20 0 DBADRM CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001453383481 1011648787 /nfs/dbraw/zinc/64/87/87/1011648787.db2.gz YFMJDZHKQMGMCP-UTLUCORTSA-N -1 0 323.353 -0.263 20 0 DBADRM O=C(CCN1CCCC1=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001483095705 1011685161 /nfs/dbraw/zinc/68/51/61/1011685161.db2.gz DXSQGTOXACJMNK-OWOJBTEDSA-N -1 0 322.369 -0.715 20 0 DBADRM C[C@@]1(CO)C[C@H](O)CN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001453750915 1011810535 /nfs/dbraw/zinc/81/05/35/1011810535.db2.gz VVLISXIZXTVWOB-RTHLEPHNSA-N -1 0 320.305 -0.606 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)CCCc2nnn[n-]2)CC1 ZINC001453862109 1011825832 /nfs/dbraw/zinc/82/58/32/1011825832.db2.gz ADXZMUFSVABNPG-UHFFFAOYSA-N -1 0 301.372 -0.394 20 0 DBADRM CC(C)(CNC(=O)Cn1c(=O)[n-][nH]c1=O)[C@]1(O)CCCOC1 ZINC001453959229 1011840557 /nfs/dbraw/zinc/84/05/57/1011840557.db2.gz IZNCKIQAGCVWRX-ZDUSSCGKSA-N -1 0 314.342 -0.627 20 0 DBADRM O=C(NCc1nc([O-])cc(=O)[nH]1)c1cccnc1OCCO ZINC001454188084 1011885883 /nfs/dbraw/zinc/88/58/83/1011885883.db2.gz FKJCKUVNJBBDHH-UHFFFAOYSA-N -1 0 306.278 -0.416 20 0 DBADRM CCCN(C(=O)NCCOCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001595823521 1017100645 /nfs/dbraw/zinc/10/06/45/1017100645.db2.gz ZOQRDILOFUUAIG-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N[C@](C)(COC)C(=O)[O-] ZINC001595787784 1017100816 /nfs/dbraw/zinc/10/08/16/1017100816.db2.gz RCIWLJSYKHEQHB-LLVKDONJSA-N -1 0 310.372 -0.688 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001595787559 1017102181 /nfs/dbraw/zinc/10/21/81/1017102181.db2.gz OEABCKSINCJWIA-SNVBAGLBSA-N -1 0 322.383 -0.592 20 0 DBADRM CCCN(CC(N)=O)S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001595864225 1017103880 /nfs/dbraw/zinc/10/38/80/1017103880.db2.gz VSYHCVJEGZNPMQ-UHFFFAOYSA-N -1 0 315.351 -0.026 20 0 DBADRM CCCN(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001595882638 1017104298 /nfs/dbraw/zinc/10/42/98/1017104298.db2.gz KFRYBNDSYHSCJR-FHUSYTEZSA-N -1 0 324.377 -0.046 20 0 DBADRM CCCN(CCNC(=O)c1ncn(C)n1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001595883127 1017104449 /nfs/dbraw/zinc/10/44/49/1017104449.db2.gz RISHUPPEOQYMQO-NXEZZACHSA-N -1 0 323.353 -0.496 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(C(N)=S)cc1)c1nnn[n-]1 ZINC001595889559 1017104661 /nfs/dbraw/zinc/10/46/61/1017104661.db2.gz RSEJFLFBBDURAN-SECBINFHSA-N -1 0 306.351 -0.049 20 0 DBADRM COC[C@@H](NC(=O)COc1ccc(C=O)cc1)c1nnn[n-]1 ZINC001595889734 1017104910 /nfs/dbraw/zinc/10/49/10/1017104910.db2.gz XGBGBXJPQQIJCB-LLVKDONJSA-N -1 0 305.294 -0.105 20 0 DBADRM CCCNC(=O)CCCC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001595920625 1017106051 /nfs/dbraw/zinc/10/60/51/1017106051.db2.gz RLKKSCWUUKOPFK-MNOVXSKESA-N -1 0 300.355 -0.023 20 0 DBADRM COC[C@@H](NC(=O)Cn1nc(C)c2cccnc21)c1nnn[n-]1 ZINC001595895782 1017106104 /nfs/dbraw/zinc/10/61/04/1017106104.db2.gz GYNYAULEQXARJA-SNVBAGLBSA-N -1 0 316.325 -0.243 20 0 DBADRM CCCNC(=O)CCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001595922969 1017107516 /nfs/dbraw/zinc/10/75/16/1017107516.db2.gz YJGKAMYAOQTLJT-SNVBAGLBSA-N -1 0 313.354 -0.658 20 0 DBADRM CCCNC(=O)NC(=O)CN1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC001595926241 1017107542 /nfs/dbraw/zinc/10/75/42/1017107542.db2.gz YJWFYSVGTCDDRN-ZJUUUORDSA-N -1 0 301.343 -0.214 20 0 DBADRM COc1ccccc1C(=O)C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454553840 1012034641 /nfs/dbraw/zinc/03/46/41/1012034641.db2.gz MRFJGDHLUIKHKY-JTQLQIEISA-N -1 0 317.305 -0.009 20 0 DBADRM O=C(Cn1cc(C2CC2)nn1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454552337 1012035213 /nfs/dbraw/zinc/03/52/13/1012035213.db2.gz FGJMSLUMXLMVOB-SNVBAGLBSA-N -1 0 304.314 -0.731 20 0 DBADRM CCCN1C[C@H](C(=O)OCCc2cn(CC(=O)[O-])nn2)CC1=O ZINC001595897275 1017108504 /nfs/dbraw/zinc/10/85/04/1017108504.db2.gz XVGPNQYFZFHGSJ-SNVBAGLBSA-N -1 0 324.337 -0.293 20 0 DBADRM O=C(CNC(=O)c1cccs1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454554546 1012039284 /nfs/dbraw/zinc/03/92/84/1012039284.db2.gz DWPBSXAHNBKGJG-MRVPVSSYSA-N -1 0 322.350 -0.409 20 0 DBADRM O=C(c1cnc2cccnn21)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454556694 1012039451 /nfs/dbraw/zinc/03/94/51/1012039451.db2.gz ZMVFDFMSRWEDCC-SECBINFHSA-N -1 0 300.282 -0.544 20 0 DBADRM NC(=O)C(=O)NC[C@@H]1CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC001483675531 1012043519 /nfs/dbraw/zinc/04/35/19/1012043519.db2.gz BPODFDBIIPVOSB-ZETCQYMHSA-N -1 0 321.362 -0.427 20 0 DBADRM Cc1nonc1CC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001483690035 1012057042 /nfs/dbraw/zinc/05/70/42/1012057042.db2.gz VHOCJQJSCZSNQH-QMMMGPOBSA-N -1 0 307.314 -0.865 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(F)F ZINC001454694534 1012099522 /nfs/dbraw/zinc/09/95/22/1012099522.db2.gz YBXYLRRNYWKBJE-SCSAIBSYSA-N -1 0 305.241 -0.828 20 0 DBADRM CN(C(=O)CC[C@H]1CCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001483859047 1012166859 /nfs/dbraw/zinc/16/68/59/1012166859.db2.gz ODIFFOQXRKVUJG-JTQLQIEISA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C(=O)C[C@@](C)(O)C1CC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001483861057 1012167271 /nfs/dbraw/zinc/16/72/71/1012167271.db2.gz RHCRDSAWZXNYQP-CQSZACIVSA-N -1 0 309.370 -0.296 20 0 DBADRM O=C(c1cccnc1OCCO)N1CCC(c2nnn[n-]2)CC1 ZINC001455024007 1012190428 /nfs/dbraw/zinc/19/04/28/1012190428.db2.gz YMBLFSRJVAAUIX-UHFFFAOYSA-N -1 0 318.337 -0.014 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001455022262 1012191908 /nfs/dbraw/zinc/19/19/08/1012191908.db2.gz PHEWZRRXPZZZPI-QMMMGPOBSA-N -1 0 316.387 -0.767 20 0 DBADRM NC(=O)c1cnc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)c(Cl)c1 ZINC001455129759 1012224632 /nfs/dbraw/zinc/22/46/32/1012224632.db2.gz GAMGUADNDBNIAH-ZCFIWIBFSA-N -1 0 321.728 -0.023 20 0 DBADRM O=C(CS(=O)(=O)C1CCCC1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001455130764 1012229914 /nfs/dbraw/zinc/22/99/14/1012229914.db2.gz HZZSBQGUQZPZJY-SECBINFHSA-N -1 0 313.383 -0.127 20 0 DBADRM C[C@]1(CNC(=O)CC(N)=O)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484155241 1012329671 /nfs/dbraw/zinc/32/96/71/1012329671.db2.gz SUEPQLFXDWNMRW-CYBMUJFWSA-N -1 0 310.358 -0.896 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)CCC(F)F ZINC001455391812 1012376376 /nfs/dbraw/zinc/37/63/76/1012376376.db2.gz BQMSPCPOSOKPTE-UHFFFAOYSA-N -1 0 321.284 -0.691 20 0 DBADRM CCCC(=O)NCCN(CC)C(=O)c1cnc([O-])n(C)c1=O ZINC001455495020 1012421904 /nfs/dbraw/zinc/42/19/04/1012421904.db2.gz BBNCWWZNDTYIBM-UHFFFAOYSA-N -1 0 310.354 -0.136 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@H]1CC1(C)C ZINC001455624600 1012463582 /nfs/dbraw/zinc/46/35/82/1012463582.db2.gz BIDUAOWALMHKML-MRVPVSSYSA-N -1 0 323.353 -0.093 20 0 DBADRM Cc1ccc(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001484258347 1012475124 /nfs/dbraw/zinc/47/51/24/1012475124.db2.gz YJCIGKPSJXRYQA-UHFFFAOYSA-N -1 0 307.310 -0.612 20 0 DBADRM COC[C@H](NC(=O)c1ccnc(C(=O)OC)c1)c1nnn[n-]1 ZINC001455730843 1012495827 /nfs/dbraw/zinc/49/58/27/1012495827.db2.gz SPQFYCSDLTUOCX-VIFPVBQESA-N -1 0 306.282 -0.501 20 0 DBADRM COC[C@@H](NC(=O)CNC(=O)C1CCCCC1)c1nnn[n-]1 ZINC001455738114 1012501123 /nfs/dbraw/zinc/50/11/23/1012501123.db2.gz OEUISPJTBLEBFW-SNVBAGLBSA-N -1 0 310.358 -0.300 20 0 DBADRM CC(C)(C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1)S(C)(=O)=O ZINC001455739277 1012502169 /nfs/dbraw/zinc/50/21/69/1012502169.db2.gz DRQVTYXIQGUFRT-VIFPVBQESA-N -1 0 315.399 -0.196 20 0 DBADRM CN1C[C@@H](CCNC(=O)c2c[n-]n3c2nccc3=O)CC1=O ZINC001455874154 1012535826 /nfs/dbraw/zinc/53/58/26/1012535826.db2.gz NBRVLVBUWJQJPQ-VIFPVBQESA-N -1 0 303.322 -0.379 20 0 DBADRM CN1C[C@H](CCNC(=O)c2c[n-]n3c2nccc3=O)CC1=O ZINC001455874151 1012536544 /nfs/dbraw/zinc/53/65/44/1012536544.db2.gz NBRVLVBUWJQJPQ-SECBINFHSA-N -1 0 303.322 -0.379 20 0 DBADRM CC(C)[C@]1(C)C[C@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484303937 1012557507 /nfs/dbraw/zinc/55/75/07/1012557507.db2.gz RTVSWGZUSWSAIV-HZMBPMFUSA-N -1 0 323.397 -0.145 20 0 DBADRM Cn1nccc1[C@@H](O)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001456191021 1012569125 /nfs/dbraw/zinc/56/91/25/1012569125.db2.gz JMQWRPAOAHWPOZ-VIFPVBQESA-N -1 0 310.314 -0.947 20 0 DBADRM O=C(N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CC12CC2 ZINC001484444269 1012660577 /nfs/dbraw/zinc/66/05/77/1012660577.db2.gz QMCPWSPJLCDIDC-MEBBXXQBSA-N -1 0 321.381 -0.247 20 0 DBADRM CC(C)C(=O)N1CC(CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001456520808 1012743297 /nfs/dbraw/zinc/74/32/97/1012743297.db2.gz AFJSXIQXJZOEIF-UHFFFAOYSA-N -1 0 323.353 -0.554 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCC1CN(C(=O)C2CC2)C1 ZINC001456524840 1012744156 /nfs/dbraw/zinc/74/41/56/1012744156.db2.gz PFKYVIZPSGMGHX-UHFFFAOYSA-N -1 0 321.337 -0.800 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(C(=O)C2=CCCC2)C1 ZINC001456556486 1012757547 /nfs/dbraw/zinc/75/75/47/1012757547.db2.gz UKJRWXKUSLSTBN-UHFFFAOYSA-N -1 0 321.337 -0.626 20 0 DBADRM CC1(C)C[C@H](NC(=O)CCCc2nnn[n-]2)CCS1(=O)=O ZINC001456567910 1012761377 /nfs/dbraw/zinc/76/13/77/1012761377.db2.gz VDYMHZAFMXNGFJ-SECBINFHSA-N -1 0 315.399 -0.006 20 0 DBADRM COCCCC(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001484586917 1012785945 /nfs/dbraw/zinc/78/59/45/1012785945.db2.gz QSEZBSACNLGQKG-JTQLQIEISA-N -1 0 313.358 -0.746 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001484592608 1012787474 /nfs/dbraw/zinc/78/74/74/1012787474.db2.gz GRIUPDABCDCIMI-MWLCHTKSSA-N -1 0 309.370 -0.127 20 0 DBADRM C[C@@H](NC(=O)CCC(=O)N1CCOCC1)c1nn(C)cc1[O-] ZINC001456783728 1012815578 /nfs/dbraw/zinc/81/55/78/1012815578.db2.gz GJTIOPKTNGSVJS-SNVBAGLBSA-N -1 0 310.354 -0.058 20 0 DBADRM C[C@@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)c1nn(C)cc1[O-] ZINC001456793840 1012817604 /nfs/dbraw/zinc/81/76/04/1012817604.db2.gz NUGYMILVOVNFCZ-SSDOTTSWSA-N -1 0 307.310 -0.986 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001484707048 1012838447 /nfs/dbraw/zinc/83/84/47/1012838447.db2.gz RZAUXJQPTAQTBA-LLVKDONJSA-N -1 0 324.385 -0.541 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)c2cn(C)cn2)c1[O-] ZINC001457315426 1012872301 /nfs/dbraw/zinc/87/23/01/1012872301.db2.gz WVAXOPNKFDSLDT-MRVPVSSYSA-N -1 0 320.353 -0.047 20 0 DBADRM CCC(=O)NCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1 ZINC001484969215 1012915559 /nfs/dbraw/zinc/91/55/59/1012915559.db2.gz VKBHPNSUCLQBKO-NXEZZACHSA-N -1 0 324.385 -0.494 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NCc2nncn2C)c1[O-] ZINC001485138820 1013017953 /nfs/dbraw/zinc/01/79/53/1013017953.db2.gz IFWPIDNUCVFEAB-SFYZADRCSA-N -1 0 307.358 -0.151 20 0 DBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC001595979671 1017111121 /nfs/dbraw/zinc/11/11/21/1017111121.db2.gz BSQKYEKWJQWSFH-ZJUUUORDSA-N -1 0 322.383 -0.858 20 0 DBADRM CCCn1cc(NC(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)cn1 ZINC001596116324 1017112290 /nfs/dbraw/zinc/11/22/90/1017112290.db2.gz CBTJJJOQUSDQMJ-CQSZACIVSA-N -1 0 324.337 -0.066 20 0 DBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC001595980186 1017112452 /nfs/dbraw/zinc/11/24/52/1017112452.db2.gz RFPJDKYYJQXWHY-ZJUUUORDSA-N -1 0 322.383 -0.858 20 0 DBADRM CCCn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001596111262 1017112535 /nfs/dbraw/zinc/11/25/35/1017112535.db2.gz NFHCRLKSGQKAGL-ZJUUUORDSA-N -1 0 321.337 -0.651 20 0 DBADRM CCC[C@@H](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001596002247 1017112803 /nfs/dbraw/zinc/11/28/03/1017112803.db2.gz XYQNZAMBRSCYFQ-VHSXEESVSA-N -1 0 304.368 -0.078 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001596001330 1017112848 /nfs/dbraw/zinc/11/28/48/1017112848.db2.gz DZHLLCQMOSGTNX-MRVPVSSYSA-N -1 0 309.326 -0.129 20 0 DBADRM CCCc1nnc(SCC(=O)NC[C@H]2C[C@H]2C(=O)[O-])n1N ZINC001596095392 1017112971 /nfs/dbraw/zinc/11/29/71/1017112971.db2.gz KBRIZVAEAAGTBW-HTQZYQBOSA-N -1 0 313.383 -0.127 20 0 DBADRM CCCn1cc(C(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001596111756 1017113093 /nfs/dbraw/zinc/11/30/93/1017113093.db2.gz DQTCLCBQIGXPST-BDAKNGLRSA-N -1 0 309.326 -0.745 20 0 DBADRM CCCn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001596111259 1017113118 /nfs/dbraw/zinc/11/31/18/1017113118.db2.gz NFHCRLKSGQKAGL-NXEZZACHSA-N -1 0 321.337 -0.651 20 0 DBADRM CCCn1cc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)nn1 ZINC001596111928 1017113940 /nfs/dbraw/zinc/11/39/40/1017113940.db2.gz JAEAHCZQYFYYNX-UHFFFAOYSA-N -1 0 319.325 -0.560 20 0 DBADRM CCC[C@H](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001596022996 1017114006 /nfs/dbraw/zinc/11/40/06/1017114006.db2.gz XYQNZAMBRSCYFQ-ZJUUUORDSA-N -1 0 304.368 -0.078 20 0 DBADRM CCC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)C(=O)[O-] ZINC001595992931 1017114099 /nfs/dbraw/zinc/11/40/99/1017114099.db2.gz MVDVSIZQGOGHGC-NXEZZACHSA-N -1 0 315.370 -0.238 20 0 DBADRM CCCn1cc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001596116709 1017114712 /nfs/dbraw/zinc/11/47/12/1017114712.db2.gz NMQSQSNEAJWTDV-ONGXEEELSA-N -1 0 324.337 -0.474 20 0 DBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C/C(C)=C\C(=O)[O-] ZINC001596207205 1017119979 /nfs/dbraw/zinc/11/99/79/1017119979.db2.gz RBBKTIHMFMMCNO-SDKXAQGSSA-N -1 0 318.395 -0.358 20 0 DBADRM CCN(CC(=O)[O-])C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001596212913 1017120688 /nfs/dbraw/zinc/12/06/88/1017120688.db2.gz VWIYVLSLVSJPLQ-RYUDHWBXSA-N -1 0 307.306 -0.110 20 0 DBADRM CCN(CCC(=O)OC)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001596321051 1017125098 /nfs/dbraw/zinc/12/50/98/1017125098.db2.gz BKANBACIALFBBP-UHFFFAOYSA-N -1 0 310.306 -0.042 20 0 DBADRM CC[N@H+](CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1n[nH]c(=O)[n-]1 ZINC001596327032 1017125615 /nfs/dbraw/zinc/12/56/15/1017125615.db2.gz QLJMAEPMYMJXAU-BDAKNGLRSA-N -1 0 311.342 -0.441 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)C1=CN(C)S(=O)(=O)N=C1C ZINC001596304186 1017125925 /nfs/dbraw/zinc/12/59/25/1017125925.db2.gz UIYIZSAOKSJEMG-UHFFFAOYSA-N -1 0 303.340 -0.155 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC001596311260 1017127045 /nfs/dbraw/zinc/12/70/45/1017127045.db2.gz YPPLZEOBIFPHFC-UHFFFAOYSA-N -1 0 301.324 -0.334 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC001596311151 1017127167 /nfs/dbraw/zinc/12/71/67/1017127167.db2.gz ILAMUCQAMVKSRX-UHFFFAOYSA-N -1 0 305.294 -0.235 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1cnnn1CC ZINC001596331494 1017127905 /nfs/dbraw/zinc/12/79/05/1017127905.db2.gz BGOMOYPWZAGPNC-VHSXEESVSA-N -1 0 323.353 -0.403 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1cnon1 ZINC001596327350 1017127977 /nfs/dbraw/zinc/12/79/77/1017127977.db2.gz ZBWDVSIYZMFMQW-BDAKNGLRSA-N -1 0 310.310 -0.241 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)C(C)(C)C(N)=O ZINC001596333318 1017128134 /nfs/dbraw/zinc/12/81/34/1017128134.db2.gz PQJDYXKNQYPRPR-RKDXNWHRSA-N -1 0 313.354 -0.817 20 0 DBADRM CCN(CCNC(=O)[C@@H]1CCNC1=O)c1ncc(C(=O)[O-])cn1 ZINC001596333265 1017128340 /nfs/dbraw/zinc/12/83/40/1017128340.db2.gz PGLCSUZYYBSJDS-SNVBAGLBSA-N -1 0 321.337 -0.747 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc2nnnn2n1 ZINC001596332633 1017129488 /nfs/dbraw/zinc/12/94/88/1017129488.db2.gz KPCBXUUMAGAZKC-BDAKNGLRSA-N -1 0 319.325 -0.818 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)CNC(=O)OC ZINC001596333632 1017131041 /nfs/dbraw/zinc/13/10/41/1017131041.db2.gz UKTKPSBJEHTRPG-BDAKNGLRSA-N -1 0 315.326 -0.972 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)CNC(=O)OC ZINC001596333635 1017131242 /nfs/dbraw/zinc/13/12/42/1017131242.db2.gz UKTKPSBJEHTRPG-RKDXNWHRSA-N -1 0 315.326 -0.972 20 0 DBADRM CCN(CCNC(=O)c1cncnc1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596335588 1017131958 /nfs/dbraw/zinc/13/19/58/1017131958.db2.gz SRVBXSHLLGFQOX-MNOVXSKESA-N -1 0 306.322 -0.224 20 0 DBADRM CCN(CCNc1ccnc(C(=O)[O-])n1)C(=O)[C@H](C)CC(N)=O ZINC001596340235 1017131966 /nfs/dbraw/zinc/13/19/66/1017131966.db2.gz XQXPLJPUKXBVQQ-SECBINFHSA-N -1 0 323.353 -0.631 20 0 DBADRM CCN(CCNC(=O)c1ncccn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596335003 1017132222 /nfs/dbraw/zinc/13/22/22/1017132222.db2.gz FQDWGDQQQKIRAF-ZJUUUORDSA-N -1 0 306.322 -0.224 20 0 DBADRM CCN1C(=O)[C@H]2CN(Cc3oncc3C(=O)[O-])CCN2C1=O ZINC001596389849 1017133221 /nfs/dbraw/zinc/13/32/21/1017133221.db2.gz OMGPYNPGVVDIEM-SECBINFHSA-N -1 0 308.294 -0.159 20 0 DBADRM CCN(CCS(C)(=O)=O)[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001596346663 1017133829 /nfs/dbraw/zinc/13/38/29/1017133829.db2.gz DNXYMTWQQSSBHI-LLVKDONJSA-N -1 0 320.411 -0.181 20 0 DBADRM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)c1ncn(C)n1 ZINC001596340981 1017134005 /nfs/dbraw/zinc/13/40/05/1017134005.db2.gz NDLJPQQZLSPKKR-UHFFFAOYSA-N -1 0 319.325 -0.123 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)C34CC(C(=O)[O-])(C3)C4)CCN2C1=O ZINC001596389495 1017134483 /nfs/dbraw/zinc/13/44/83/1017134483.db2.gz IEIQVUJFGTZKJE-RAXBXGLRSA-N -1 0 321.333 -0.264 20 0 DBADRM CCN1C(=O)CN(CN2CCSC[C@H](C(=O)[O-])C2)C1=O ZINC001596389214 1017134641 /nfs/dbraw/zinc/13/46/41/1017134641.db2.gz BOQODWHVABYIGC-SECBINFHSA-N -1 0 301.368 -0.022 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)NC3CC(C(=O)[O-])C3)CCN2C1=O ZINC001596389481 1017134844 /nfs/dbraw/zinc/13/48/44/1017134844.db2.gz IAQQJFMSXPWFSW-RTBKNWGFSA-N -1 0 324.337 -0.473 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001596384278 1017134920 /nfs/dbraw/zinc/13/49/20/1017134920.db2.gz QNTQGTQKWJOABK-UHFFFAOYSA-N -1 0 306.296 -0.334 20 0 DBADRM CCN(CCOCCO)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001596345454 1017134992 /nfs/dbraw/zinc/13/49/92/1017134992.db2.gz KKQIXBVMKAXOIC-NSHDSACASA-N -1 0 316.354 -0.833 20 0 DBADRM CCN1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C[C@H]1C ZINC001596396421 1017136155 /nfs/dbraw/zinc/13/61/55/1017136155.db2.gz RXKNZUPNDJXVBX-GRYCIOLGSA-N -1 0 311.382 -0.139 20 0 DBADRM CCN1C[C@H](N2C(=O)[C@H]3C[C@H](C(=O)[O-])CCN3C2=O)CC1=O ZINC001596398521 1017137059 /nfs/dbraw/zinc/13/70/59/1017137059.db2.gz YLPALSRQLRZQDX-OPRDCNLKSA-N -1 0 309.322 -0.265 20 0 DBADRM CCN1C[C@H](S(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1=O ZINC001596402651 1017137125 /nfs/dbraw/zinc/13/71/25/1017137125.db2.gz PEBMIGOEFJWJOX-SECBINFHSA-N -1 0 304.368 -0.076 20 0 DBADRM CCN1C[C@H](c2nnc(N3CCO[C@H](C(=O)[O-])C3)n2C)CC1=O ZINC001596402211 1017137138 /nfs/dbraw/zinc/13/71/38/1017137138.db2.gz KQMVGSWHVCWQKH-ZJUUUORDSA-N -1 0 323.353 -0.559 20 0 DBADRM CCN1C[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1=O ZINC001596398185 1017137275 /nfs/dbraw/zinc/13/72/75/1017137275.db2.gz UICXQMVABPIEQW-SSDOTTSWSA-N -1 0 316.339 -0.745 20 0 DBADRM CCN1CC[C@@H](N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)C1=O ZINC001596409535 1017140119 /nfs/dbraw/zinc/14/01/19/1017140119.db2.gz OWVMTYODAWLJOL-DOMZBBRYSA-N -1 0 311.382 -0.532 20 0 DBADRM CCN1CC[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001596415886 1017142050 /nfs/dbraw/zinc/14/20/50/1017142050.db2.gz WZFSTBSMYHGGSL-ZJUUUORDSA-N -1 0 304.368 -0.819 20 0 DBADRM CCN1CCN([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1=O ZINC001596431031 1017142978 /nfs/dbraw/zinc/14/29/78/1017142978.db2.gz FWERNQRYWGMXQN-LLVKDONJSA-N -1 0 311.382 -0.138 20 0 DBADRM CCN1CCN(CC(=O)N[C@@H](CC2CC2)C(=O)[O-])C(=O)C1=O ZINC001596430492 1017143190 /nfs/dbraw/zinc/14/31/90/1017143190.db2.gz MEWOFOPLIOKPDD-JTQLQIEISA-N -1 0 311.338 -0.953 20 0 DBADRM CCN1CCC[C@H](N2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)C1=O ZINC001596418920 1017143424 /nfs/dbraw/zinc/14/34/24/1017143424.db2.gz YOSOTYZKOQGJRN-IMSYWVGJSA-N -1 0 309.322 -0.362 20 0 DBADRM CCN1CCC[C@@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1=O ZINC001596418519 1017143736 /nfs/dbraw/zinc/14/37/36/1017143736.db2.gz OLEGAAIOZWKKGK-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN1CCN(C(=O)C(=O)Nc2nn(C)cc2C(=O)[O-])[C@@H](C)C1 ZINC001596427895 1017143864 /nfs/dbraw/zinc/14/38/64/1017143864.db2.gz VQIKKNNJLZKDEU-VIFPVBQESA-N -1 0 323.353 -0.391 20 0 DBADRM CCN1CCC[C@H](NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1=O ZINC001596418664 1017144357 /nfs/dbraw/zinc/14/43/57/1017144357.db2.gz SEUCAYLNDFTBQK-VWYCJHECSA-N -1 0 313.354 -0.526 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)C1 ZINC001596442186 1017146418 /nfs/dbraw/zinc/14/64/18/1017146418.db2.gz GPPNGSVSKUGPGS-LBPRGKRZSA-N -1 0 308.338 -0.246 20 0 DBADRM CCN1CCO[C@H](C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])C1 ZINC001596442511 1017147538 /nfs/dbraw/zinc/14/75/38/1017147538.db2.gz MNYXXKSXCOHXEZ-SMDDNHRTSA-N -1 0 310.354 -0.437 20 0 DBADRM CCNC(=O)[C@@H](C)NS(=O)(=O)c1csnc1C(=O)[O-] ZINC001596451887 1017149206 /nfs/dbraw/zinc/14/92/06/1017149206.db2.gz LUDNOGMEIFGEAE-RXMQYKEDSA-N -1 0 307.353 -0.356 20 0 DBADRM CCNC(=O)CC(=O)N(C)[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001596456612 1017149466 /nfs/dbraw/zinc/14/94/66/1017149466.db2.gz VZIIUNBDPMGLCZ-SECBINFHSA-N -1 0 323.353 -0.040 20 0 DBADRM CCNC(=O)CCCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001596456810 1017149496 /nfs/dbraw/zinc/14/94/96/1017149496.db2.gz CKMPRJNTOFYSKH-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM CCNC(=O)CC(=O)NC/C=C\CNc1ncc(C(=O)[O-])cn1 ZINC001596455903 1017149563 /nfs/dbraw/zinc/14/95/63/1017149563.db2.gz BPEHSWBYEWPAGL-ARJAWSKDSA-N -1 0 321.337 -0.215 20 0 DBADRM CCNC(=O)CN(C)S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001596458925 1017150306 /nfs/dbraw/zinc/15/03/06/1017150306.db2.gz WTHNCCKZYPMJEL-UHFFFAOYSA-N -1 0 315.351 -0.155 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001596461777 1017150972 /nfs/dbraw/zinc/15/09/72/1017150972.db2.gz JTKWFZJVFKPUQM-UHFFFAOYSA-N -1 0 323.305 -0.659 20 0 DBADRM CCNC(=O)NC(=O)CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001596484470 1017151214 /nfs/dbraw/zinc/15/12/14/1017151214.db2.gz KKWXUYPHBIKGIG-VIFPVBQESA-N -1 0 324.341 -0.541 20 0 DBADRM CCNC(=O)CN1CCC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001596462296 1017151376 /nfs/dbraw/zinc/15/13/76/1017151376.db2.gz WMRSTWYLUXKLDV-RYUDHWBXSA-N -1 0 311.382 -0.234 20 0 DBADRM CCNC(=O)CN(CC)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001596461574 1017151545 /nfs/dbraw/zinc/15/15/45/1017151545.db2.gz DTAQBYGLNHFRCK-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM CCNC(=O)N1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001596468578 1017151654 /nfs/dbraw/zinc/15/16/54/1017151654.db2.gz PDAJTOVXVJPVLT-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM CCOC(=O)[C@@](C)(O)CNc1cc(C)nc2nc(C(=O)[O-])nn21 ZINC001596516808 1017154018 /nfs/dbraw/zinc/15/40/18/1017154018.db2.gz NMSICOMDYUYKHU-ZDUSSCGKSA-N -1 0 323.309 -0.143 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCOC1)C(C)=O ZINC001596525401 1017154253 /nfs/dbraw/zinc/15/42/53/1017154253.db2.gz AYVNKNSWLTULIX-ZANVPECISA-N -1 0 301.295 -0.495 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001596495849 1017154351 /nfs/dbraw/zinc/15/43/51/1017154351.db2.gz LLLVQPZVSOERCA-NXEZZACHSA-N -1 0 321.399 -0.322 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN([C@@H](CCC(=O)[O-])C(=O)OC)C1 ZINC001596495856 1017155473 /nfs/dbraw/zinc/15/54/73/1017155473.db2.gz LQIPPQDUAYYNMQ-UWVGGRQHSA-N -1 0 322.383 -0.594 20 0 DBADRM CCNS(=O)(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001596495608 1017155516 /nfs/dbraw/zinc/15/55/16/1017155516.db2.gz BOYVPHZFNFEEEH-LBPRGKRZSA-N -1 0 306.384 -0.078 20 0 DBADRM CCOC(=O)[C@](C)(O)CNc1cc(C)nc2nc(C(=O)[O-])nn21 ZINC001596516807 1017155647 /nfs/dbraw/zinc/15/56/47/1017155647.db2.gz NMSICOMDYUYKHU-CYBMUJFWSA-N -1 0 323.309 -0.143 20 0 DBADRM CCOC(=O)[C@H](N)C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC001596534877 1017156880 /nfs/dbraw/zinc/15/68/80/1017156880.db2.gz KZOCOCOQJUXJKS-MRVPVSSYSA-N -1 0 316.339 -0.226 20 0 DBADRM CCOC(=O)[C@@]1(C)CN(S(=O)(=O)C[C@H](C)C(=O)[O-])CCO1 ZINC001596553919 1017157120 /nfs/dbraw/zinc/15/71/20/1017157120.db2.gz YICUBFBXXXVMEW-JOYOIKCWSA-N -1 0 323.367 -0.309 20 0 DBADRM CCOC(=O)C(NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OCC ZINC001596536491 1017157323 /nfs/dbraw/zinc/15/73/23/1017157323.db2.gz ZDNRJAJIOJPECR-OCAPTIKFSA-N -1 0 301.295 -0.292 20 0 DBADRM CCOC(=O)[C@H](CSC)NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001596533942 1017157368 /nfs/dbraw/zinc/15/73/68/1017157368.db2.gz DAKUPFYZTLGGCB-YUMQZZPRSA-N -1 0 313.397 -0.079 20 0 DBADRM CCOC(=O)[C@@H](O)Cn1cc(CN2CCC[C@H]2C(=O)[O-])nn1 ZINC001596545413 1017157781 /nfs/dbraw/zinc/15/77/81/1017157781.db2.gz ZLDYRNSDIXOKCK-QWRGUYRKSA-N -1 0 312.326 -0.749 20 0 DBADRM CCOC(=O)[C@H]1CN([C@H](CCC(=O)[O-])C(=O)OC)CCO1 ZINC001596585602 1017159895 /nfs/dbraw/zinc/15/98/95/1017159895.db2.gz QHKURKMUKJYLDR-NXEZZACHSA-N -1 0 303.311 -0.343 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001596593766 1017162323 /nfs/dbraw/zinc/16/23/23/1017162323.db2.gz AXLHAHQDOGYBHB-DTWKUNHWSA-N -1 0 319.310 -0.977 20 0 DBADRM CCOC(=O)N1CC[C@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC001596646018 1017164681 /nfs/dbraw/zinc/16/46/81/1017164681.db2.gz GFFHDKQBYIUTOY-BDAKNGLRSA-N -1 0 308.356 -0.143 20 0 DBADRM CCOC(=O)NCCCC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001596662445 1017165613 /nfs/dbraw/zinc/16/56/13/1017165613.db2.gz FYHAYQFCNJVRMZ-ZJUUUORDSA-N -1 0 302.327 -0.193 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N(CC)CC(=O)[O-] ZINC001596696411 1017167374 /nfs/dbraw/zinc/16/73/74/1017167374.db2.gz BEOBLIFTJIFQIR-UHFFFAOYSA-N -1 0 319.339 -0.010 20 0 DBADRM CCOC(=O)c1cn(C)cc1NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001596733333 1017167411 /nfs/dbraw/zinc/16/74/11/1017167411.db2.gz XSQKZESZBSMRLF-UHFFFAOYSA-N -1 0 311.294 -0.135 20 0 DBADRM CCOC(=O)[C@H](COC)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001596687860 1017168082 /nfs/dbraw/zinc/16/80/82/1017168082.db2.gz IOSBOBNEBWGLDQ-QMMMGPOBSA-N -1 0 321.307 -0.166 20 0 DBADRM CCOC(=O)c1ccc(C(=O)N2CC(O)(C(=O)[O-])C2)nc1C ZINC001596713216 1017168530 /nfs/dbraw/zinc/16/85/30/1017168530.db2.gz GBYDOLRTNSWCEU-UHFFFAOYSA-N -1 0 308.290 -0.162 20 0 DBADRM CCOC1CC(C(=O)NCCNc2ccnc(C(=O)[O-])n2)C1 ZINC001596804463 1017171309 /nfs/dbraw/zinc/17/13/09/1017171309.db2.gz IDPDMBASISHSAE-UHFFFAOYSA-N -1 0 308.338 -0.060 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@H]1OC ZINC001596814392 1017171435 /nfs/dbraw/zinc/17/14/35/1017171435.db2.gz XUWPPXFAFICPMI-ISUQUUIWSA-N -1 0 314.338 -0.726 20 0 DBADRM CCOC(C)(C)CNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001596768563 1017171600 /nfs/dbraw/zinc/17/16/00/1017171600.db2.gz HPFWMUMSVQQYRX-JTQLQIEISA-N -1 0 316.354 -0.380 20 0 DBADRM CCOCC(=O)NC[C@]1(O)CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001596860537 1017173355 /nfs/dbraw/zinc/17/33/55/1017173355.db2.gz FZDRFZVVCJNWAN-CQSZACIVSA-N -1 0 324.337 -0.731 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)NS(=O)(=O)CC ZINC001596868420 1017174019 /nfs/dbraw/zinc/17/40/19/1017174019.db2.gz KLYWTJQPJNWNAM-DTWKUNHWSA-N -1 0 310.372 -0.738 20 0 DBADRM CCO[C@H]1C[C@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001596846711 1017174165 /nfs/dbraw/zinc/17/41/65/1017174165.db2.gz OLPUGNWIMZSHOG-JDVQERKKSA-N -1 0 305.352 -0.585 20 0 DBADRM CCOCC(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O ZINC001596862489 1017174233 /nfs/dbraw/zinc/17/42/33/1017174233.db2.gz VODBRSWXKUCRCY-MNOVXSKESA-N -1 0 324.337 -0.733 20 0 DBADRM CCO[C@@H]1C[C@@](NC(=O)[C@H]2CN(C)C(=O)N2)(C(=O)[O-])C1(C)C ZINC001596818167 1017174328 /nfs/dbraw/zinc/17/43/28/1017174328.db2.gz LMKVKRWKGCPORK-RFXMVYNHSA-N -1 0 313.354 -0.215 20 0 DBADRM CCO[C@H]1C[C@@](NS(=O)(=O)C2COC2)(C(=O)[O-])C1(C)C ZINC001596836539 1017174336 /nfs/dbraw/zinc/17/43/36/1017174336.db2.gz DMOGPTCFTXBQMR-JOYOIKCWSA-N -1 0 307.368 -0.037 20 0 DBADRM CCOCCCNC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001596916819 1017177507 /nfs/dbraw/zinc/17/75/07/1017177507.db2.gz LYYFYAZVPDZFEK-ZJUUUORDSA-N -1 0 302.327 -0.072 20 0 DBADRM CCOCCOC1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001596935151 1017181896 /nfs/dbraw/zinc/18/18/96/1017181896.db2.gz KTZJIOHBPKZFTE-UHFFFAOYSA-N -1 0 319.339 -0.466 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001596981421 1017183343 /nfs/dbraw/zinc/18/33/43/1017183343.db2.gz ZZJPXIBOWDTSDA-HBNTYKKESA-N -1 0 302.327 -0.325 20 0 DBADRM CCOc1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)on1 ZINC001597005395 1017183712 /nfs/dbraw/zinc/18/37/12/1017183712.db2.gz RVQKPQCINNIMSM-IUCAKERBSA-N -1 0 323.305 -0.265 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001596981106 1017184026 /nfs/dbraw/zinc/18/40/26/1017184026.db2.gz SLGIBKRMWVXZLG-NXEZZACHSA-N -1 0 313.314 -0.921 20 0 DBADRM CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)NC ZINC001597068208 1017185928 /nfs/dbraw/zinc/18/59/28/1017185928.db2.gz OWYSPRFBOGFLPC-UHFFFAOYSA-N -1 0 316.335 -0.192 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001597204346 1017188388 /nfs/dbraw/zinc/18/83/88/1017188388.db2.gz UZPUAYNQSWEDBC-VHSXEESVSA-N -1 0 319.379 -0.098 20 0 DBADRM CCS(=O)(=O)C1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001597208281 1017188925 /nfs/dbraw/zinc/18/89/25/1017188925.db2.gz SOYWECZQDAONNM-UHFFFAOYSA-N -1 0 323.348 -0.215 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)c2ccc(C(=O)[O-])n2C)C1 ZINC001597203683 1017189314 /nfs/dbraw/zinc/18/93/14/1017189314.db2.gz OSGKDCFKHKOGAX-UHFFFAOYSA-N -1 0 300.336 -0.018 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001597225979 1017192448 /nfs/dbraw/zinc/19/24/48/1017192448.db2.gz ZKKVKVSKMHKLJE-YFKPBYRVSA-N -1 0 306.262 -0.553 20 0 DBADRM CCS(=O)(=O)c1ccccc1CC(=O)N[C@@H](CO)C(=O)[O-] ZINC001597245492 1017192603 /nfs/dbraw/zinc/19/26/03/1017192603.db2.gz JEUXWAXSIDBRCB-JTQLQIEISA-N -1 0 315.347 -0.416 20 0 DBADRM CC[C@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001597333220 1017196170 /nfs/dbraw/zinc/19/61/70/1017196170.db2.gz MBCXKNOKIWWMIE-QMMMGPOBSA-N -1 0 317.342 -0.393 20 0 DBADRM CC[C@@H]1C(=O)NCCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001597294246 1017196356 /nfs/dbraw/zinc/19/63/56/1017196356.db2.gz VGOIOPHQBIJNQN-LLVKDONJSA-N -1 0 321.333 -0.326 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COCc1ocnc1C(=O)[O-])C(N)=O ZINC001597316073 1017196764 /nfs/dbraw/zinc/19/67/64/1017196764.db2.gz CJXFWWZTRWVPJA-XVKPBYJWSA-N -1 0 313.310 -0.094 20 0 DBADRM CCc1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001597429401 1017198332 /nfs/dbraw/zinc/19/83/32/1017198332.db2.gz CATHENYUZYZEQP-VHSXEESVSA-N -1 0 306.322 -0.367 20 0 DBADRM CCc1[nH]c(C(=O)N[C@@]2(C(N)=O)CCOC2)c(C)c1C(=O)[O-] ZINC001597363285 1017198474 /nfs/dbraw/zinc/19/84/74/1017198474.db2.gz FCWVLMLWKPLBEG-AWEZNQCLSA-N -1 0 309.322 -0.042 20 0 DBADRM CCc1cc(C(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n(C)n1 ZINC001597431626 1017198561 /nfs/dbraw/zinc/19/85/61/1017198561.db2.gz OOFKXCNBVCMVSL-ZJUUUORDSA-N -1 0 308.338 -0.451 20 0 DBADRM CCc1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001597429400 1017198667 /nfs/dbraw/zinc/19/86/67/1017198667.db2.gz CATHENYUZYZEQP-UWVGGRQHSA-N -1 0 306.322 -0.367 20 0 DBADRM CCc1cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)nn1C ZINC001597426476 1017198673 /nfs/dbraw/zinc/19/86/73/1017198673.db2.gz IWWMXGDWCVNLCI-VHSXEESVSA-N -1 0 309.322 -0.072 20 0 DBADRM CCc1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1C ZINC001597429658 1017198766 /nfs/dbraw/zinc/19/87/66/1017198766.db2.gz NBSHUYGUJVRUBQ-QWRGUYRKSA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1cc(C(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n(C)n1 ZINC001597431624 1017198775 /nfs/dbraw/zinc/19/87/75/1017198775.db2.gz OOFKXCNBVCMVSL-UWVGGRQHSA-N -1 0 308.338 -0.451 20 0 DBADRM CCc1n[nH]cc1C(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597399613 1017199502 /nfs/dbraw/zinc/19/95/02/1017199502.db2.gz JWLSZLSMUVTHTR-IUCAKERBSA-N -1 0 306.322 -0.367 20 0 DBADRM CCc1cc(CNC(=O)NCCn2cc(C(=O)[O-])nn2)[nH]n1 ZINC001597478663 1017201323 /nfs/dbraw/zinc/20/13/23/1017201323.db2.gz QZKFMHLBEBPXDE-UHFFFAOYSA-N -1 0 307.314 -0.239 20 0 DBADRM CCc1c[nH]c(CC(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001597627878 1017201917 /nfs/dbraw/zinc/20/19/17/1017201917.db2.gz XGJMKDCUSLPCJM-GHMZBOCLSA-N -1 0 322.365 -0.190 20 0 DBADRM CCc1nc(OC)ccc1NC(=O)NCC(=O)NCC(=O)[O-] ZINC001597685923 1017203826 /nfs/dbraw/zinc/20/38/26/1017203826.db2.gz IVCVKQWGVDCMNC-UHFFFAOYSA-N -1 0 310.310 -0.025 20 0 DBADRM CCc1nc[nH]c1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597697402 1017204050 /nfs/dbraw/zinc/20/40/50/1017204050.db2.gz CSODGAPDKPLADH-VHSXEESVSA-N -1 0 320.349 -0.024 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001597723597 1017205210 /nfs/dbraw/zinc/20/52/10/1017205210.db2.gz NKKAJYGAOPMKSH-NSHDSACASA-N -1 0 303.340 -0.496 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1COCCN1 ZINC001597785273 1017205229 /nfs/dbraw/zinc/20/52/29/1017205229.db2.gz YYHBFDVMHZEAIN-QMMMGPOBSA-N -1 0 318.351 -0.193 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CNC(=O)C1 ZINC001597784904 1017205491 /nfs/dbraw/zinc/20/54/91/1017205491.db2.gz QZJSNDVSLHZHHW-ZCFIWIBFSA-N -1 0 302.308 -0.293 20 0 DBADRM CCc1nnsc1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597741942 1017206490 /nfs/dbraw/zinc/20/64/90/1017206490.db2.gz TXLQADVYAFCGGJ-SFYZADRCSA-N -1 0 324.362 -0.238 20 0 DBADRM Cn1nncc1NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001597781961 1017207010 /nfs/dbraw/zinc/20/70/10/1017207010.db2.gz ANBQFIDICQEYIT-UHFFFAOYSA-N -1 0 301.266 -0.353 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N=c1nc[nH]n1C ZINC001597792113 1017209050 /nfs/dbraw/zinc/20/90/50/1017209050.db2.gz XVBQJDKIWDCYCH-UHFFFAOYSA-N -1 0 300.296 -0.109 20 0 DBADRM CCn1c([C@@H](O)COC)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001597843274 1017209672 /nfs/dbraw/zinc/20/96/72/1017209672.db2.gz PYSVGESBZYJZGR-IUCAKERBSA-N -1 0 300.315 -0.732 20 0 DBADRM CCn1cc(CNC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001597889679 1017210414 /nfs/dbraw/zinc/21/04/14/1017210414.db2.gz OMGLKHIRMSVTKB-PSASIEDQSA-N -1 0 324.337 -0.169 20 0 DBADRM CCn1cc(CNC2(CC(=O)[O-])CCS(=O)(=O)CC2)nn1 ZINC001597889413 1017210625 /nfs/dbraw/zinc/21/06/25/1017210625.db2.gz AKMBKZGCGIFESC-UHFFFAOYSA-N -1 0 316.383 -0.190 20 0 DBADRM CCn1cc(CC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)nn1 ZINC001597879621 1017210942 /nfs/dbraw/zinc/21/09/42/1017210942.db2.gz BWSYGFQGUDDBAF-ZDUSSCGKSA-N -1 0 307.310 -0.328 20 0 DBADRM CCn1cc(C(=O)NCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])nn1 ZINC001597877100 1017210954 /nfs/dbraw/zinc/21/09/54/1017210954.db2.gz REMLVRGLJWJPDR-DTWKUNHWSA-N -1 0 309.326 -0.793 20 0 DBADRM CCn1cc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)cn1 ZINC001597887474 1017212378 /nfs/dbraw/zinc/21/23/78/1017212378.db2.gz MUYSJMVJRYKRJI-LLVKDONJSA-N -1 0 308.338 -0.158 20 0 DBADRM CCn1ccnc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c1=O ZINC001597911631 1017213534 /nfs/dbraw/zinc/21/35/34/1017213534.db2.gz XVALMSSYUSTDBA-HNNXBMFYSA-N -1 0 322.365 -0.371 20 0 DBADRM CCn1ccnc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597911594 1017213987 /nfs/dbraw/zinc/21/39/87/1017213987.db2.gz WFBKWYQSFGJFEV-MNOVXSKESA-N -1 0 320.349 -0.094 20 0 DBADRM CCn1cnc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001597917061 1017214185 /nfs/dbraw/zinc/21/41/85/1017214185.db2.gz UGTMVGHQRUNTRQ-GHMZBOCLSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1ccc(CC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])n1 ZINC001597904908 1017214219 /nfs/dbraw/zinc/21/42/19/1017214219.db2.gz QVKKNMWGDRSWIU-NSHDSACASA-N -1 0 308.338 -0.363 20 0 DBADRM CCn1cnc(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001597916191 1017214286 /nfs/dbraw/zinc/21/42/86/1017214286.db2.gz GVSJZOJHJXSSQY-QWRGUYRKSA-N -1 0 320.349 -0.094 20 0 DBADRM CCn1ccc(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001597902437 1017214533 /nfs/dbraw/zinc/21/45/33/1017214533.db2.gz MAZDGWKYTBSTOF-WDEREUQCSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1ccc(CN2CC(O)(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001597904235 1017214761 /nfs/dbraw/zinc/21/47/61/1017214761.db2.gz FMRSLBCKPWPZPK-RYUDHWBXSA-N -1 0 322.365 -0.713 20 0 DBADRM CCn1ccnc1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001597910942 1017214770 /nfs/dbraw/zinc/21/47/70/1017214770.db2.gz MSOIISLFJIVXDC-HNNXBMFYSA-N -1 0 322.365 -0.096 20 0 DBADRM CCn1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001597902434 1017214794 /nfs/dbraw/zinc/21/47/94/1017214794.db2.gz MAZDGWKYTBSTOF-GHMZBOCLSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1ccc(CC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])n1 ZINC001597904904 1017214892 /nfs/dbraw/zinc/21/48/92/1017214892.db2.gz QVKKNMWGDRSWIU-LLVKDONJSA-N -1 0 308.338 -0.363 20 0 DBADRM CCn1ccnc1C(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597914964 1017214930 /nfs/dbraw/zinc/21/49/30/1017214930.db2.gz NMXKIXCQQYZMPG-WDEREUQCSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cn1 ZINC001597898320 1017214935 /nfs/dbraw/zinc/21/49/35/1017214935.db2.gz UXWPACBBQJUPKT-UWVGGRQHSA-N -1 0 303.340 -0.498 20 0 DBADRM CCn1cnc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001597917234 1017216197 /nfs/dbraw/zinc/21/61/97/1017216197.db2.gz YBBNGGOSZWYIFT-VHSXEESVSA-N -1 0 306.322 -0.436 20 0 DBADRM CCn1nc(C)c(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001597932589 1017216986 /nfs/dbraw/zinc/21/69/86/1017216986.db2.gz NOHASJURILBSJJ-ZJUUUORDSA-N -1 0 321.337 -0.732 20 0 DBADRM CCn1nc(C)c(CC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1C ZINC001597934677 1017217596 /nfs/dbraw/zinc/21/75/96/1017217596.db2.gz WCADMJHWLLHJOX-GFCCVEGCSA-N -1 0 322.365 -0.184 20 0 DBADRM CCn1nc(C)c(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001597932587 1017217726 /nfs/dbraw/zinc/21/77/26/1017217726.db2.gz NOHASJURILBSJJ-UWVGGRQHSA-N -1 0 321.337 -0.732 20 0 DBADRM CCn1ncc(C(=O)NCCNc2ncc(C(=O)[O-])cn2)n1 ZINC001597953587 1017219512 /nfs/dbraw/zinc/21/95/12/1017219512.db2.gz NCOLRLVMGCAISA-UHFFFAOYSA-N -1 0 305.298 -0.372 20 0 DBADRM CCn1nccc1CNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001597966055 1017219817 /nfs/dbraw/zinc/21/98/17/1017219817.db2.gz NTKOOWAUTNGQDV-SNVBAGLBSA-N -1 0 308.338 -0.015 20 0 DBADRM CCn1nncc1CN(C)CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001597976633 1017221061 /nfs/dbraw/zinc/22/10/61/1017221061.db2.gz ZGYZBPPVRKEWDK-RYUDHWBXSA-N -1 0 309.370 -0.091 20 0 DBADRM CCn1nncc1C(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001597973832 1017221217 /nfs/dbraw/zinc/22/12/17/1017221217.db2.gz HCVYQDMMQACWEV-RKDXNWHRSA-N -1 0 310.310 -0.224 20 0 DBADRM CCn1ncnc1CNC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001597969693 1017221444 /nfs/dbraw/zinc/22/14/44/1017221444.db2.gz UBAYUIBTJPABBU-ZJUUUORDSA-N -1 0 307.354 -0.243 20 0 DBADRM CCn1nncc1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001597973986 1017221985 /nfs/dbraw/zinc/22/19/85/1017221985.db2.gz JZHLBUJGRODFJO-MRVPVSSYSA-N -1 0 305.298 -0.325 20 0 DBADRM CCn1nncc1C(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001597973631 1017222025 /nfs/dbraw/zinc/22/20/25/1017222025.db2.gz CJEPDXZFUJLLIO-UHFFFAOYSA-N -1 0 305.298 -0.372 20 0 DBADRM CCn1nncc1CN(C)CCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001597976632 1017222250 /nfs/dbraw/zinc/22/22/50/1017222250.db2.gz ZGYZBPPVRKEWDK-NWDGAFQWSA-N -1 0 309.370 -0.091 20 0 DBADRM CN(C(=O)C(=O)N1CCn2cncc2C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597981611 1017224855 /nfs/dbraw/zinc/22/48/55/1017224855.db2.gz DRIMNVOMVOTXCK-AOOOYVTPSA-N -1 0 306.322 -0.453 20 0 DBADRM CCn1nncc1Cn1cc(CN2CCC[C@H]2C(=O)[O-])nn1 ZINC001597982910 1017225341 /nfs/dbraw/zinc/22/53/41/1017225341.db2.gz UIFOTWOUZRZPPQ-LBPRGKRZSA-N -1 0 305.342 -0.013 20 0 DBADRM CN(C(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1)C1CC1 ZINC001598023161 1017227922 /nfs/dbraw/zinc/22/79/22/1017227922.db2.gz SEZIIFXKZWFDCD-VXGBXAGGSA-N -1 0 309.366 -0.528 20 0 DBADRM CN(C(=O)NC[C@H]1C[C@H]1C(=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC001598049764 1017231070 /nfs/dbraw/zinc/23/10/70/1017231070.db2.gz AMRORZQCPUDROP-KXUCPTDWSA-N -1 0 319.383 -0.618 20 0 DBADRM CN(C)c1ccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cn1 ZINC001598312468 1017255592 /nfs/dbraw/zinc/25/55/92/1017255592.db2.gz AFAZFEAGPIBEBM-LLVKDONJSA-N -1 0 320.349 -0.047 20 0 DBADRM CN(C[C@@H](O)CN1CC(O)(C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001598437111 1017269508 /nfs/dbraw/zinc/26/95/08/1017269508.db2.gz SWJRNEPYVIEOTR-SECBINFHSA-N -1 0 304.343 -0.655 20 0 DBADRM CN(CCCNC(=O)C1(C(N)=O)CC1)c1ncc(C(=O)[O-])cn1 ZINC001598478614 1017273780 /nfs/dbraw/zinc/27/37/80/1017273780.db2.gz KIAMQDGMPBZBLW-UHFFFAOYSA-N -1 0 321.337 -0.617 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)CCc1cn[nH]n1 ZINC001598495532 1017289747 /nfs/dbraw/zinc/28/97/47/1017289747.db2.gz IWPQVDNTGSFDFI-UHFFFAOYSA-N -1 0 319.325 -0.782 20 0 DBADRM CN(CCNc1ccc2nccnc2n1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598495741 1017289823 /nfs/dbraw/zinc/28/98/23/1017289823.db2.gz NEQNEBXASVUKKV-ZJUUUORDSA-N -1 0 315.333 -0.011 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001598500791 1017292209 /nfs/dbraw/zinc/29/22/09/1017292209.db2.gz YPPGNFRLPRSPFX-UHFFFAOYSA-N -1 0 318.355 -0.892 20 0 DBADRM CN(CCOCCNC(=O)c1ccn[nH]1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598498538 1017292284 /nfs/dbraw/zinc/29/22/84/1017292284.db2.gz ZMGCQIGHGADYOY-VHSXEESVSA-N -1 0 324.337 -0.665 20 0 DBADRM CN(CCn1cccn1)CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001598503672 1017292593 /nfs/dbraw/zinc/29/25/93/1017292593.db2.gz OKZWXHQNHNCULF-CQSZACIVSA-N -1 0 323.353 -0.052 20 0 DBADRM CN(CCOCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1cc[nH]c1 ZINC001598497870 1017292612 /nfs/dbraw/zinc/29/26/12/1017292612.db2.gz NTABPZXLTWPFAB-RYUDHWBXSA-N -1 0 323.349 -0.060 20 0 DBADRM CN(CCS(C)(=O)=O)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001598499029 1017292799 /nfs/dbraw/zinc/29/27/99/1017292799.db2.gz CVRQMBYXIXWNSO-UHFFFAOYSA-N -1 0 313.397 -0.453 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cccc3[nH]ncc32)CC1=O ZINC001598561856 1017305409 /nfs/dbraw/zinc/30/54/09/1017305409.db2.gz FUFGSSKKJMTHDI-LLVKDONJSA-N -1 0 302.290 -0.070 20 0 DBADRM CN(CC(F)(F)F)C(=O)CN1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001598563238 1017305481 /nfs/dbraw/zinc/30/54/81/1017305481.db2.gz IYVGMIUEROEBMJ-ZETCQYMHSA-N -1 0 311.260 -0.766 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2occ3c2CCOC3)CC1=O ZINC001598562597 1017306073 /nfs/dbraw/zinc/30/60/73/1017306073.db2.gz BQKCEQZAOMMSSJ-JTQLQIEISA-N -1 0 308.290 -0.280 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)COc2cccc(C=O)c2)CC1=O ZINC001598565424 1017307250 /nfs/dbraw/zinc/30/72/50/1017307250.db2.gz UFVFPTUPKOHJEW-LBPRGKRZSA-N -1 0 320.301 -0.368 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CCCN(C3CC3)C2=O)CC1=O ZINC001598564325 1017307389 /nfs/dbraw/zinc/30/73/89/1017307389.db2.gz XOZRVZOSAXALHG-MNOVXSKESA-N -1 0 323.349 -0.859 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)Cc2cnn3c2CCCC3)CC1=O ZINC001598564720 1017307501 /nfs/dbraw/zinc/30/75/01/1017307501.db2.gz KNQXLFGHGQJZCC-GFCCVEGCSA-N -1 0 320.349 -0.484 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cncc3[nH]ccc32)CC1=O ZINC001598563810 1017307642 /nfs/dbraw/zinc/30/76/42/1017307642.db2.gz NRQFFWDCXSGCHJ-NSHDSACASA-N -1 0 302.290 -0.070 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)[C@H]2CCCN(C3CC3)C2=O)CC1=O ZINC001598564329 1017308089 /nfs/dbraw/zinc/30/80/89/1017308089.db2.gz XOZRVZOSAXALHG-WDEREUQCSA-N -1 0 323.349 -0.859 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccnc3[nH]cnc32)CC1=O ZINC001598563918 1017308183 /nfs/dbraw/zinc/30/81/83/1017308183.db2.gz WOSKLEFQORZHIC-QMMMGPOBSA-N -1 0 303.278 -0.675 20 0 DBADRM CN1CCC[C@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001598593760 1017323835 /nfs/dbraw/zinc/32/38/35/1017323835.db2.gz NMIAIXBWTASPBX-VIFPVBQESA-N -1 0 307.310 -0.772 20 0 DBADRM CN1CCC[C@H]1c1cc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)n[nH]1 ZINC001598600039 1017327217 /nfs/dbraw/zinc/32/72/17/1017327217.db2.gz ZAJJNSWRVQIQJU-FZMZJTMJSA-N -1 0 308.338 -0.162 20 0 DBADRM CN1CCC[C@H]1c1cc(C(=O)NCC(=O)NCC(=O)[O-])[nH]n1 ZINC001598597339 1017328896 /nfs/dbraw/zinc/32/88/96/1017328896.db2.gz CUDOZDIQBPIATB-JTQLQIEISA-N -1 0 309.326 -0.893 20 0 DBADRM Cn1ccc([C@H](NC(=O)[C@H]2CCCCN(C)C2=O)C(=O)[O-])n1 ZINC001598597448 1017329219 /nfs/dbraw/zinc/32/92/19/1017329219.db2.gz CVVKUMHMXUMOMX-KOLCDFICSA-N -1 0 308.338 -0.080 20 0 DBADRM CN1CCN(C(=O)CCCS(C)(=O)=O)C[C@H](C(=O)[O-])C1 ZINC001598604941 1017330455 /nfs/dbraw/zinc/33/04/55/1017330455.db2.gz BPVXDANGXVFKQR-SNVBAGLBSA-N -1 0 306.384 -0.714 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC001598604287 1017332261 /nfs/dbraw/zinc/33/22/61/1017332261.db2.gz FVTVXTRLJQIRJV-UHFFFAOYSA-N -1 0 320.349 -0.374 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)c2ccoc2CC(=O)[O-])CC1 ZINC001598604357 1017333984 /nfs/dbraw/zinc/33/39/84/1017333984.db2.gz INLAKOQORKWXLD-UHFFFAOYSA-N -1 0 323.349 -0.199 20 0 DBADRM CN1CCN(C(=O)CCCn2ccc(C(=O)[O-])n2)[C@H](CO)C1 ZINC001598606567 1017337587 /nfs/dbraw/zinc/33/75/87/1017337587.db2.gz YFRBVSPNGGBNFE-NSHDSACASA-N -1 0 310.354 -0.504 20 0 DBADRM CN1CCN(C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)CC1=O ZINC001598608345 1017339429 /nfs/dbraw/zinc/33/94/29/1017339429.db2.gz XJFPHGGIGRFHTF-SECBINFHSA-N -1 0 321.337 -0.100 20 0 DBADRM CN1CCN(C)[C@H](CN2C(=O)[C@@H]3CC[C@H](C(=O)[O-])CN3C2=O)C1 ZINC001598611207 1017340686 /nfs/dbraw/zinc/34/06/86/1017340686.db2.gz HJQMGCLMISNFOM-SRVKXCTJSA-N -1 0 324.381 -0.640 20 0 DBADRM CN1CCN(C(=O)Nc2nc3n(c2C(=O)[O-])CCC3)CC1=O ZINC001598610145 1017341495 /nfs/dbraw/zinc/34/14/95/1017341495.db2.gz BCEXBFILVNHDIE-UHFFFAOYSA-N -1 0 307.310 -0.167 20 0 DBADRM CN1CCN(C)[C@H](CNS(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001598614962 1017346578 /nfs/dbraw/zinc/34/65/78/1017346578.db2.gz TXDNQQRVNKLTGA-SNVBAGLBSA-N -1 0 305.400 -0.984 20 0 DBADRM CN1CCN(CC(=O)NCc2ccccc2CC(=O)[O-])CC1=O ZINC001598616081 1017347202 /nfs/dbraw/zinc/34/72/02/1017347202.db2.gz NFKPVKYJXLNQTE-UHFFFAOYSA-N -1 0 319.361 -0.296 20 0 DBADRM CN1CCN(S(=O)(=O)NCc2ccc(C(=O)[O-])o2)CC1 ZINC001598621297 1017351042 /nfs/dbraw/zinc/35/10/42/1017351042.db2.gz MLQJNKVAROKKDK-UHFFFAOYSA-N -1 0 303.340 -0.440 20 0 DBADRM Cn1c([C@@H]2COCCN2C)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001598625719 1017354608 /nfs/dbraw/zinc/35/46/08/1017354608.db2.gz RCOIINYBLSVXGY-ZANVPECISA-N -1 0 313.333 -0.179 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001598624198 1017354867 /nfs/dbraw/zinc/35/48/67/1017354867.db2.gz VLQLTODRVBLMHU-SNVBAGLBSA-N -1 0 321.333 -0.230 20 0 DBADRM CN1CCOC[C@@H]1CN1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001598623230 1017355461 /nfs/dbraw/zinc/35/54/61/1017355461.db2.gz BIHRGJSLMDLTTD-DCAQKATOSA-N -1 0 311.338 -0.556 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001598624111 1017355569 /nfs/dbraw/zinc/35/55/69/1017355569.db2.gz UMHKMWITFLZXBH-MNOVXSKESA-N -1 0 317.411 -0.224 20 0 DBADRM CN1CCO[C@H](C(=O)NCc2ccc(C(=O)[O-])cc2F)C1=O ZINC001598624453 1017355669 /nfs/dbraw/zinc/35/56/69/1017355669.db2.gz XNIGUOIRWFYRSU-LLVKDONJSA-N -1 0 310.281 -0.003 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)C1=O ZINC001598623845 1017355786 /nfs/dbraw/zinc/35/57/86/1017355786.db2.gz BAZXDRSPNFLVEQ-SWLSCSKDSA-N -1 0 321.333 -0.255 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001598623702 1017356170 /nfs/dbraw/zinc/35/61/70/1017356170.db2.gz ODNAPKAUEXXXME-NSHDSACASA-N -1 0 310.354 -0.192 20 0 DBADRM CN1CCO[C@H](C(=O)NC[C@H](C(=O)[O-])c2ccccc2)C1=O ZINC001598623860 1017356624 /nfs/dbraw/zinc/35/66/24/1017356624.db2.gz BEDNOWRGGFTYHC-NWDGAFQWSA-N -1 0 306.318 -0.172 20 0 DBADRM CN1Cc2ccc(NC(=O)C(=O)NCCOCC(=O)[O-])cc2C1 ZINC001598629505 1017357448 /nfs/dbraw/zinc/35/74/48/1017357448.db2.gz ABASUPLYMOABMP-UHFFFAOYSA-N -1 0 321.333 -0.212 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598630465 1017359919 /nfs/dbraw/zinc/35/99/19/1017359919.db2.gz OXXCUHMRLHLSLJ-SECBINFHSA-N -1 0 313.354 -0.802 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001598636672 1017360657 /nfs/dbraw/zinc/36/06/57/1017360657.db2.gz ZOLHSDJBYXKEDM-GWOFURMSSA-N -1 0 313.354 -0.215 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)NCc1ccoc1C(=O)[O-] ZINC001598634335 1017360714 /nfs/dbraw/zinc/36/07/14/1017360714.db2.gz YDRSXDNJBOVUQD-MRVPVSSYSA-N -1 0 305.294 -0.182 20 0 DBADRM CNC(=O)[C@@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001598631715 1017360822 /nfs/dbraw/zinc/36/08/22/1017360822.db2.gz HSVGKRKECKSTOQ-VIFPVBQESA-N -1 0 316.335 -0.922 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001598632723 1017361508 /nfs/dbraw/zinc/36/15/08/1017361508.db2.gz JCTCCGBOKLTOEU-ZJUUUORDSA-N -1 0 307.354 -0.172 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC001598632818 1017362444 /nfs/dbraw/zinc/36/24/44/1017362444.db2.gz KEKWQLVQRJLXJX-LDYMZIIASA-N -1 0 316.321 -0.452 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598639964 1017363163 /nfs/dbraw/zinc/36/31/63/1017363163.db2.gz OOKZQWRIYBITGO-ZETCQYMHSA-N -1 0 308.294 -0.641 20 0 DBADRM CNC(=O)CCCC(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001598641020 1017363184 /nfs/dbraw/zinc/36/31/84/1017363184.db2.gz ZJOCGZCVCFHTBQ-SNVBAGLBSA-N -1 0 314.338 -0.088 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CCO1 ZINC001598637738 1017363624 /nfs/dbraw/zinc/36/36/24/1017363624.db2.gz ORIAZYRHMMVUAK-SECBINFHSA-N -1 0 309.322 -0.083 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001598639836 1017363714 /nfs/dbraw/zinc/36/37/14/1017363714.db2.gz WQWXJBAZQVYQGB-SNVBAGLBSA-N -1 0 322.321 -0.820 20 0 DBADRM CNC(=O)CC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC001598639925 1017363965 /nfs/dbraw/zinc/36/39/65/1017363965.db2.gz NRTXUGWUWBUJRI-UHFFFAOYSA-N -1 0 314.319 -0.137 20 0 DBADRM CNC(=O)[C@H]1CN(Cc2snc(OC)c2C(=O)[O-])CCO1 ZINC001598638161 1017364443 /nfs/dbraw/zinc/36/44/43/1017364443.db2.gz UVVUYVPXSDIOQJ-SSDOTTSWSA-N -1 0 315.351 -0.203 20 0 DBADRM CNC(=O)[C@@H]1CCCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001598639745 1017364875 /nfs/dbraw/zinc/36/48/75/1017364875.db2.gz VLMPPUAAUVRRGX-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)Cc1ccccc1C(=O)[O-] ZINC001598642261 1017366046 /nfs/dbraw/zinc/36/60/46/1017366046.db2.gz MYXVIFMRAHEKDE-UHFFFAOYSA-N -1 0 321.333 -0.752 20 0 DBADRM CNC(=O)CCCNC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001598643402 1017366679 /nfs/dbraw/zinc/36/66/79/1017366679.db2.gz XECKFSHHCHTTDK-IUCAKERBSA-N -1 0 315.326 -0.972 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001598643217 1017366751 /nfs/dbraw/zinc/36/67/51/1017366751.db2.gz XSOTZAXLYYVKAL-UHFFFAOYSA-N -1 0 307.306 -0.164 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001598644712 1017367280 /nfs/dbraw/zinc/36/72/80/1017367280.db2.gz JMDWZQUZBGPCJR-UHFFFAOYSA-N -1 0 318.289 -0.333 20 0 DBADRM CNC(=O)CNC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001598644662 1017367300 /nfs/dbraw/zinc/36/73/00/1017367300.db2.gz HSGWMCFQEOEZQY-ZETCQYMHSA-N -1 0 303.315 -0.783 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)c2ccc(C(=O)[O-])n2C)CC1 ZINC001598642444 1017367464 /nfs/dbraw/zinc/36/74/64/1017367464.db2.gz JRQIVYYGNPRPOX-UHFFFAOYSA-N -1 0 322.365 -0.337 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)c2cc(C(=O)[O-])no2)CCO1 ZINC001598651735 1017368240 /nfs/dbraw/zinc/36/82/40/1017368240.db2.gz LEKGJNAGAAINFZ-ZETCQYMHSA-N -1 0 312.282 -0.857 20 0 DBADRM CNC(=O)NC[C@H]1CCCCN1CC(=O)NCCC(=O)[O-] ZINC001598652282 1017368388 /nfs/dbraw/zinc/36/83/88/1017368388.db2.gz PLQBIXVRFLKZMI-SNVBAGLBSA-N -1 0 300.359 -0.639 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1C ZINC001598651738 1017368552 /nfs/dbraw/zinc/36/85/52/1017368552.db2.gz SRTYBOBKMIZOGS-DTORHVGOSA-N -1 0 309.326 -0.078 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)c2ccc(C(=O)[O-])[nH]2)n1 ZINC001598648394 1017368804 /nfs/dbraw/zinc/36/88/04/1017368804.db2.gz HWHXIRDIVAVKPB-UHFFFAOYSA-N -1 0 308.250 -0.259 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])co2)CCO1 ZINC001598650949 1017368980 /nfs/dbraw/zinc/36/89/80/1017368980.db2.gz GQKSNYBCFSYTBO-SECBINFHSA-N -1 0 311.294 -0.252 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)cn1 ZINC001598650368 1017369013 /nfs/dbraw/zinc/36/90/13/1017369013.db2.gz DTIWERIGTKYIFB-WDEREUQCSA-N -1 0 324.337 -0.020 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)c2ccnc(C(=O)[O-])c2)cn1 ZINC001598651731 1017369198 /nfs/dbraw/zinc/36/91/98/1017369198.db2.gz SMPHPKDZVQHNBO-UHFFFAOYSA-N -1 0 303.278 -0.025 20 0 DBADRM CNC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001598650438 1017369338 /nfs/dbraw/zinc/36/93/38/1017369338.db2.gz BDYYQUPISLNFAT-MXWKQRLJSA-N -1 0 313.354 -0.071 20 0 DBADRM CNC(=O)NCC(=O)NC[C@H](C)N(C)c1ncc(C(=O)[O-])cn1 ZINC001598651527 1017370008 /nfs/dbraw/zinc/37/00/08/1017370008.db2.gz JSUKVVJISXNTBW-QMMMGPOBSA-N -1 0 324.341 -0.955 20 0 DBADRM CNC(=O)N[C@H]1CCCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001598653050 1017370994 /nfs/dbraw/zinc/37/09/94/1017370994.db2.gz MIEBDYLJLVWLOO-VIFPVBQESA-N -1 0 309.326 -0.499 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001598652859 1017371247 /nfs/dbraw/zinc/37/12/47/1017371247.db2.gz HBJAGJMBOFFMQV-MNOVXSKESA-N -1 0 313.354 -0.236 20 0 DBADRM CCN(CCNCc1coc(C)n1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001497417837 1017371945 /nfs/dbraw/zinc/37/19/45/1017371945.db2.gz RHGSZRNLFQSEPB-UHFFFAOYSA-N -1 0 322.325 -0.169 20 0 DBADRM CNC(=O)N[C@H]1CCN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001598653731 1017371958 /nfs/dbraw/zinc/37/19/58/1017371958.db2.gz YIULPUXFMBIDHD-YCWTYVPXSA-N -1 0 310.354 -0.047 20 0 DBADRM CNC(=O)N[C@@H]1CCCN(S(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001598652946 1017372118 /nfs/dbraw/zinc/37/21/18/1017372118.db2.gz LFDIILYAOQEVMJ-SECBINFHSA-N -1 0 319.383 -0.426 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001598654602 1017372400 /nfs/dbraw/zinc/37/24/00/1017372400.db2.gz RGJFSJOZZQYUDK-ZCFIWIBFSA-N -1 0 313.335 -0.056 20 0 DBADRM CNC(=O)N[C@@H]1CCN(C(=O)Nc2nn(C)cc2C(=O)[O-])C1 ZINC001598653083 1017372813 /nfs/dbraw/zinc/37/28/13/1017372813.db2.gz NEIXALUTXYQBES-SSDOTTSWSA-N -1 0 310.314 -0.347 20 0 DBADRM CNC(=O)N[C@H]1CCN(C(=O)Nc2nn(C)cc2C(=O)[O-])C1 ZINC001598653084 1017372884 /nfs/dbraw/zinc/37/28/84/1017372884.db2.gz NEIXALUTXYQBES-ZETCQYMHSA-N -1 0 310.314 -0.347 20 0 DBADRM CNC(=O)N[C@H]1CCCN(S(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001598652948 1017373031 /nfs/dbraw/zinc/37/30/31/1017373031.db2.gz LFDIILYAOQEVMJ-VIFPVBQESA-N -1 0 319.383 -0.426 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001598656235 1017374056 /nfs/dbraw/zinc/37/40/56/1017374056.db2.gz XNJAOUDWWXIAKS-NSHDSACASA-N -1 0 317.305 -0.410 20 0 DBADRM CNC(=O)c1ccc(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)cn1 ZINC001598656873 1017374852 /nfs/dbraw/zinc/37/48/52/1017374852.db2.gz WFGHGIPIAZOMMF-MNOVXSKESA-N -1 0 321.333 -0.092 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001598656234 1017375284 /nfs/dbraw/zinc/37/52/84/1017375284.db2.gz SZEJJFAFGHIXDK-LURJTMIESA-N -1 0 304.299 -0.063 20 0 DBADRM CNC(=O)[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C(C)C ZINC001598656334 1017375301 /nfs/dbraw/zinc/37/53/01/1017375301.db2.gz XZXAQPLWVSFNCQ-VIFPVBQESA-N -1 0 306.384 -0.069 20 0 DBADRM CNC(=O)c1ccc(NC(=O)N2CC[C@](F)(C(=O)[O-])C2)nn1 ZINC001598657198 1017376030 /nfs/dbraw/zinc/37/60/30/1017376030.db2.gz DTDCQBDNIDJBOD-GFCCVEGCSA-N -1 0 311.273 -0.133 20 0 DBADRM CNC(=O)c1ccc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)nn1 ZINC001598658209 1017376168 /nfs/dbraw/zinc/37/61/68/1017376168.db2.gz VDMBCXPXYKVDTL-MRVPVSSYSA-N -1 0 309.282 -0.847 20 0 DBADRM CNS(=O)(=O)CC(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001598669327 1017379076 /nfs/dbraw/zinc/37/90/76/1017379076.db2.gz KOMXHFKRGDMZHM-UHFFFAOYSA-N -1 0 302.308 -0.113 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N(C)C(C)(C)C(=O)[O-])CC1 ZINC001598670512 1017379478 /nfs/dbraw/zinc/37/94/78/1017379478.db2.gz ASNJKTOOCIHXPE-UHFFFAOYSA-N -1 0 321.399 -0.516 20 0 DBADRM CNS(=O)(=O)N1CCN(Cc2occc2C(=O)[O-])CC1 ZINC001598670401 1017379614 /nfs/dbraw/zinc/37/96/14/1017379614.db2.gz DLDGIIXAMBEIHC-UHFFFAOYSA-N -1 0 303.340 -0.440 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN([C@@H](CCC(=O)[O-])C(=O)OC)C1 ZINC001598669320 1017379709 /nfs/dbraw/zinc/37/97/09/1017379709.db2.gz LQPYFQCSXRQCDA-ZJUUUORDSA-N -1 0 322.383 -0.594 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC001598670179 1017379726 /nfs/dbraw/zinc/37/97/26/1017379726.db2.gz YUROZEQFGLTIRT-UHFFFAOYSA-N -1 0 316.379 -0.219 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(Cc2ccc(C(=O)[O-])n2C)C1 ZINC001598669875 1017379884 /nfs/dbraw/zinc/37/98/84/1017379884.db2.gz UAMKIEHKVKDMTM-JTQLQIEISA-N -1 0 301.368 -0.153 20 0 DBADRM CNS(=O)(=O)NC1CCN(c2nccc(C(=O)[O-])n2)CC1 ZINC001598670540 1017380376 /nfs/dbraw/zinc/38/03/76/1017380376.db2.gz DZMJLLQWNONSTF-UHFFFAOYSA-N -1 0 315.355 -0.803 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001598669705 1017380672 /nfs/dbraw/zinc/38/06/72/1017380672.db2.gz RGIIZZIHSGDFQY-NSHDSACASA-N -1 0 316.335 -0.514 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598672411 1017381685 /nfs/dbraw/zinc/38/16/85/1017381685.db2.gz QVUXMKBBAFDRRX-UHFFFAOYSA-N -1 0 316.339 -0.159 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001598671044 1017382942 /nfs/dbraw/zinc/38/29/42/1017382942.db2.gz MKIJIFVEPYJZAQ-MRVPVSSYSA-N -1 0 315.351 -0.133 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1c1cncc(C(=O)[O-])n1 ZINC001598670912 1017383594 /nfs/dbraw/zinc/38/35/94/1017383594.db2.gz LCMMAFCCIMEGTA-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)c1ccc(O)c(NC(=O)COCC(=O)[O-])c1 ZINC001598677167 1017384515 /nfs/dbraw/zinc/38/45/15/1017384515.db2.gz PRHNBWMZNLWXJJ-UHFFFAOYSA-N -1 0 318.307 -0.660 20 0 DBADRM CNS(=O)(=O)c1ccc(N2CC[C@@](O)(C(=O)[O-])C2)c(F)c1 ZINC001598675406 1017384802 /nfs/dbraw/zinc/38/48/02/1017384802.db2.gz UDZVYEZENMTAOB-LBPRGKRZSA-N -1 0 318.326 -0.240 20 0 DBADRM CNc1nc(C)cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)n1 ZINC001598681795 1017385008 /nfs/dbraw/zinc/38/50/08/1017385008.db2.gz ROCLHAQDUMLCSF-RKDXNWHRSA-N -1 0 322.321 -0.227 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H](CF)C(=O)[O-])cc1 ZINC001598674317 1017385208 /nfs/dbraw/zinc/38/52/08/1017385208.db2.gz AIGSBOOACIERGD-SECBINFHSA-N -1 0 304.299 -0.253 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NC2(CC(=O)[O-])CC2)co1 ZINC001598673073 1017385262 /nfs/dbraw/zinc/38/52/62/1017385262.db2.gz FYPYTOWIOYJKDP-UHFFFAOYSA-N -1 0 302.308 -0.075 20 0 DBADRM CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](CO)C(=O)[O-])c1 ZINC001598673165 1017385611 /nfs/dbraw/zinc/38/56/11/1017385611.db2.gz SEICPSNLJHJUDW-SNVBAGLBSA-N -1 0 316.335 -0.922 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CF)C(=O)[O-])cc1 ZINC001598674318 1017385868 /nfs/dbraw/zinc/38/58/68/1017385868.db2.gz AIGSBOOACIERGD-VIFPVBQESA-N -1 0 304.299 -0.253 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H](COC)C(=O)[O-])co1 ZINC001598673564 1017386181 /nfs/dbraw/zinc/38/61/81/1017386181.db2.gz VEKHOPCDOAOEDM-ZETCQYMHSA-N -1 0 306.296 -0.983 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])c(C)o1 ZINC001598672998 1017386550 /nfs/dbraw/zinc/38/65/50/1017386550.db2.gz BXXBRFAOLUACTI-LLVKDONJSA-N -1 0 320.323 -0.938 20 0 DBADRM COC(=O)/C(C)=C/CNC(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001598687510 1017387420 /nfs/dbraw/zinc/38/74/20/1017387420.db2.gz IGQWDSHLGGBTIA-QGQQYVBWSA-N -1 0 300.311 -0.009 20 0 DBADRM CNc1nnc(CC(=O)N2CCC(O)(C(=O)[O-])CC2)s1 ZINC001598682690 1017387985 /nfs/dbraw/zinc/38/79/85/1017387985.db2.gz QZRIWAYLUBXKIJ-UHFFFAOYSA-N -1 0 300.340 -0.440 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001598688654 1017387996 /nfs/dbraw/zinc/38/79/96/1017387996.db2.gz QZDDMGYPKIVXFR-ACZMJKKPSA-N -1 0 315.294 -0.319 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001598688687 1017388489 /nfs/dbraw/zinc/38/84/89/1017388489.db2.gz REVRRQUBNKTLIY-BXKDBHETSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc2nnn(C)c2c1 ZINC001598691469 1017389929 /nfs/dbraw/zinc/38/99/29/1017389929.db2.gz BILHAUIETHGWER-SECBINFHSA-N -1 0 306.278 -0.286 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cnc(C)s1 ZINC001598694020 1017390064 /nfs/dbraw/zinc/39/00/64/1017390064.db2.gz HVBOFOQBCRROHE-ZCFIWIBFSA-N -1 0 308.337 -0.254 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)c1ccccc1 ZINC001598694840 1017390114 /nfs/dbraw/zinc/39/01/14/1017390114.db2.gz WNDCNYMJZJNWJR-JTQLQIEISA-N -1 0 308.290 -0.451 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)c1ccccc1C ZINC001598692212 1017390186 /nfs/dbraw/zinc/39/01/86/1017390186.db2.gz CSQDTKZBHMOKII-NSHDSACASA-N -1 0 322.317 -0.143 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(-n2cncn2)nc1 ZINC001598691412 1017390974 /nfs/dbraw/zinc/39/09/74/1017390974.db2.gz AVEQDPMONZROPK-VIFPVBQESA-N -1 0 319.277 -0.592 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc(Br)n[nH]1 ZINC001598691856 1017391210 /nfs/dbraw/zinc/39/12/10/1017391210.db2.gz AADKEFBACFUZRA-YFKPBYRVSA-N -1 0 320.099 -0.082 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001598695570 1017392341 /nfs/dbraw/zinc/39/23/41/1017392341.db2.gz VSZPOBCSCABKMM-MRVPVSSYSA-N -1 0 323.261 -0.841 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)/C=C/c1cnc(OC)nc1 ZINC001598695818 1017392603 /nfs/dbraw/zinc/39/26/03/1017392603.db2.gz YONSGWJJPSKVLK-CDAZIORVSA-N -1 0 309.278 -0.369 20 0 DBADRM COC(=O)[C@H](C[C@@H]1CCCO1)NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001598697413 1017392632 /nfs/dbraw/zinc/39/26/32/1017392632.db2.gz OBAXEOFGLRPDAI-UTLUCORTSA-N -1 0 323.367 -0.263 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1CCN(CC[S@@](C)=O)CC1 ZINC001598696947 1017393173 /nfs/dbraw/zinc/39/31/73/1017393173.db2.gz CIWQYLZPRLMFJN-WSVYEEACSA-N -1 0 320.411 -0.611 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cnc(C2CC2)nc1N ZINC001598695602 1017393452 /nfs/dbraw/zinc/39/34/52/1017393452.db2.gz WUZDUBNZCJPDKF-MRVPVSSYSA-N -1 0 308.294 -0.318 20 0 DBADRM COC(=O)[C@H](C[C@H]1CCCO1)NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001598697406 1017393749 /nfs/dbraw/zinc/39/37/49/1017393749.db2.gz OBAXEOFGLRPDAI-AEJSXWLSSA-N -1 0 323.367 -0.263 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CCC(N2CCNC2=O)CC1 ZINC001598697880 1017393589 /nfs/dbraw/zinc/39/35/89/1017393589.db2.gz IIVQTPLKPKXVQR-NSHDSACASA-N -1 0 313.354 -0.118 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001598703383 1017395483 /nfs/dbraw/zinc/39/54/83/1017395483.db2.gz FMPYEDQYMUCALL-ZCFIWIBFSA-N -1 0 307.280 -0.902 20 0 DBADRM COC(=O)C1(C)CN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001598717370 1017396178 /nfs/dbraw/zinc/39/61/78/1017396178.db2.gz COPGYKMLNOKJFD-UHFFFAOYSA-N -1 0 308.290 -0.432 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001598705011 1017396449 /nfs/dbraw/zinc/39/64/49/1017396449.db2.gz VTBWYBNGMBHCOO-JTQLQIEISA-N -1 0 317.319 -0.874 20 0 DBADRM COC(=O)[C@@H](Cn1cncn1)NC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001598702211 1017396616 /nfs/dbraw/zinc/39/66/16/1017396616.db2.gz MMXAAQDGUDRNEW-MWBRBAFOSA-N -1 0 308.294 -0.809 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001598704646 1017396832 /nfs/dbraw/zinc/39/68/32/1017396832.db2.gz PAPCJCVWNWJXKY-QMMMGPOBSA-N -1 0 321.282 -0.664 20 0 DBADRM COC(=O)[C@]1(C)C[C@H](OC)CN1S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001598717513 1017397099 /nfs/dbraw/zinc/39/70/99/1017397099.db2.gz AZJONAPARFZQPX-AUTRQRHGSA-N -1 0 323.367 -0.311 20 0 DBADRM COC(=O)[C@@]1(C(=O)NC[C@H](O)C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598717123 1017397123 /nfs/dbraw/zinc/39/71/23/1017397123.db2.gz ZIWJPTLUFBFYQV-PGUXBMHVSA-N -1 0 307.302 -0.105 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])c1ccnn1C ZINC001598709841 1017397287 /nfs/dbraw/zinc/39/72/87/1017397287.db2.gz QIVURANZCDTUMX-CBAPKCEASA-N -1 0 319.339 -0.726 20 0 DBADRM COC(=O)[C@H](NCCc1cn(CC(=O)[O-])nn1)c1ccnn1C ZINC001598707721 1017397311 /nfs/dbraw/zinc/39/73/11/1017397311.db2.gz PLHYPFJEWMYXLS-GFCCVEGCSA-N -1 0 322.325 -0.857 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001497502114 1017397668 /nfs/dbraw/zinc/39/76/68/1017397668.db2.gz DFEPBXWIVZFKLG-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM COC(=O)C1(NC(=O)[C@H](C)CC(N)=O)CCC(C(=O)[O-])CC1 ZINC001598721827 1017398232 /nfs/dbraw/zinc/39/82/32/1017398232.db2.gz LQYVRHJMKGNJCT-NQTXRORDSA-N -1 0 314.338 -0.199 20 0 DBADRM COC(=O)[C@@]1(O)CCN(S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001598724631 1017398487 /nfs/dbraw/zinc/39/84/87/1017398487.db2.gz QWYHGMHIGDWTTI-LLVKDONJSA-N -1 0 319.291 -0.724 20 0 DBADRM COC(=O)C1(O)CN(C(=O)CCCn2ccc(C(=O)[O-])n2)C1 ZINC001598725054 1017398905 /nfs/dbraw/zinc/39/89/05/1017398905.db2.gz UCCLISZSAOBKDT-UHFFFAOYSA-N -1 0 311.294 -0.892 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC001598719401 1017399260 /nfs/dbraw/zinc/39/92/60/1017399260.db2.gz BLWSVPHMDRHXDK-QMMMGPOBSA-N -1 0 307.324 -0.945 20 0 DBADRM COC(=O)[C@]1(F)CCN([C@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001598721300 1017399290 /nfs/dbraw/zinc/39/92/90/1017399290.db2.gz TYUCEMHEZZHSKC-ZANVPECISA-N -1 0 302.302 -0.351 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)CC1 ZINC001598719447 1017400008 /nfs/dbraw/zinc/40/00/08/1017400008.db2.gz FENOPJSZLQCVCZ-GFCCVEGCSA-N -1 0 321.351 -0.650 20 0 DBADRM COC(=O)C12CC(C(=O)NCCn3cc(C(=O)[O-])nn3)(C1)C2 ZINC001598726923 1017400955 /nfs/dbraw/zinc/40/09/55/1017400955.db2.gz GTECYBGGGKAMGW-UHFFFAOYSA-N -1 0 308.294 -0.564 20 0 DBADRM COC(=O)[C@@]1(O)CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001598725154 1017401265 /nfs/dbraw/zinc/40/12/65/1017401265.db2.gz VXJHPMLZLRVVFL-OAHLLOKOSA-N -1 0 322.317 -0.067 20 0 DBADRM COC(=O)C1(O)CN(S(=O)(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC001598725505 1017401713 /nfs/dbraw/zinc/40/17/13/1017401713.db2.gz ZTQAIZPLLQUEDA-UHFFFAOYSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)C1(COC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1 ZINC001598726993 1017402168 /nfs/dbraw/zinc/40/21/68/1017402168.db2.gz KQXUFSHTCCMOMF-SECBINFHSA-N -1 0 313.306 -0.194 20 0 DBADRM COC(=O)[C@@]1(NS(=O)(=O)C2(C(=O)[O-])CCC2)CCSC1 ZINC001598725332 1017402105 /nfs/dbraw/zinc/40/21/05/1017402105.db2.gz KDKOVWVDHOPNRM-SNVBAGLBSA-N -1 0 323.392 -0.038 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])CCC1 ZINC001598726444 1017402307 /nfs/dbraw/zinc/40/23/07/1017402307.db2.gz UJROXOPMUIVWGJ-IUCAKERBSA-N -1 0 321.351 -0.678 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@H]1CCCC(=O)N1 ZINC001598743748 1017403293 /nfs/dbraw/zinc/40/32/93/1017403293.db2.gz DYXCOYLUGNWJAN-IVZWLZJFSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)Cc1cncn1C ZINC001598744844 1017403313 /nfs/dbraw/zinc/40/33/13/1017403313.db2.gz INJRCNFOJOCMBG-ONGXEEELSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@H]1CCC(=O)N1C ZINC001598743726 1017403352 /nfs/dbraw/zinc/40/33/52/1017403352.db2.gz DWYSLAUTZQBCRI-AEJSXWLSSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001598745049 1017403606 /nfs/dbraw/zinc/40/36/06/1017403606.db2.gz RFFUPHCBGZAZNR-VGMNWLOBSA-N -1 0 309.340 -0.965 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cn1ccccc1=O ZINC001598742356 1017404058 /nfs/dbraw/zinc/40/40/58/1017404058.db2.gz AJNSXSICIAELIR-MNOVXSKESA-N -1 0 322.317 -0.287 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CCCS(C)(=O)=O ZINC001598749250 1017404984 /nfs/dbraw/zinc/40/49/84/1017404984.db2.gz FZCBVIATEIWJTJ-ZJUUUORDSA-N -1 0 307.368 -0.241 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cc1nnc(C)o1 ZINC001598745356 1017405080 /nfs/dbraw/zinc/40/50/80/1017405080.db2.gz LPGMCPWMFNRFDJ-RKDXNWHRSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)C1CN(C(C)=O)C1 ZINC001598749832 1017405454 /nfs/dbraw/zinc/40/54/54/1017405454.db2.gz NAEJLWYVFZCMQE-ONGXEEELSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(OC)ncn1 ZINC001598751066 1017405534 /nfs/dbraw/zinc/40/55/34/1017405534.db2.gz LNLPWNYZUUERRS-SCZZXKLOSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cccn(C)c1=O ZINC001598750095 1017405776 /nfs/dbraw/zinc/40/57/76/1017405776.db2.gz IPJBUMURQHUSOU-MWLCHTKSSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCc1nnc[nH]1 ZINC001598748585 1017405945 /nfs/dbraw/zinc/40/59/45/1017405945.db2.gz IIXIKUWUKAVLMX-BDAKNGLRSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@@H](O)c1cccnc1 ZINC001598762189 1017406884 /nfs/dbraw/zinc/40/68/84/1017406884.db2.gz HSEMTZPPYNWMCR-WOPDTQHZSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@H]1C[C@H](OC(=O)CCSCC(=O)[O-])CN1C ZINC001598755371 1017407130 /nfs/dbraw/zinc/40/71/30/1017407130.db2.gz KLTGWSHHLXKVLG-DTWKUNHWSA-N -1 0 305.352 -0.017 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H]1CCC(=O)NC1 ZINC001598751613 1017407379 /nfs/dbraw/zinc/40/73/79/1017407379.db2.gz WBYHJPJQJMIKBO-UTLUCORTSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H](O)c1ccccn1 ZINC001598752371 1017407428 /nfs/dbraw/zinc/40/74/28/1017407428.db2.gz XLSFVCLTSDKZMI-USWWRNFRSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C[C@H]1CN(C)C(=O)O1 ZINC001598754677 1017407451 /nfs/dbraw/zinc/40/74/51/1017407451.db2.gz YHYXXXKMLZYBNB-BBBLOLIVSA-N -1 0 300.311 -0.225 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C(=O)NCC(F)F ZINC001598761126 1017407614 /nfs/dbraw/zinc/40/76/14/1017407614.db2.gz UDCMYCHRWFTNEL-NKWVEPMBSA-N -1 0 322.264 -0.768 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H](O)c1cccnc1 ZINC001598762187 1017407862 /nfs/dbraw/zinc/40/78/62/1017407862.db2.gz HSEMTZPPYNWMCR-SDDRHHMPSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)CCSCC(=O)[O-])C1 ZINC001598753148 1017408008 /nfs/dbraw/zinc/40/80/08/1017408008.db2.gz AJCMVSVWEBQVGX-DTWKUNHWSA-N -1 0 305.352 -0.423 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001598757685 1017408146 /nfs/dbraw/zinc/40/81/46/1017408146.db2.gz QAAQYWNULXFCQM-UWVGGRQHSA-N -1 0 308.290 -0.224 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc[n+]([O-])c1 ZINC001598756074 1017408155 /nfs/dbraw/zinc/40/81/55/1017408155.db2.gz WRKHMIFVEZTVGQ-MWLCHTKSSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001598765173 1017408858 /nfs/dbraw/zinc/40/88/58/1017408858.db2.gz HQICWJWUFUBKGJ-UTINFBMNSA-N -1 0 313.306 -0.340 20 0 DBADRM COC(=O)[C@H]1C[C@H](OC)CCN1CC(=O)NCCC(=O)[O-] ZINC001598764550 1017408963 /nfs/dbraw/zinc/40/89/63/1017408963.db2.gz HVOFKPKDRAELBO-NXEZZACHSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C1CN(C(C)=O)C1 ZINC001598763903 1017409165 /nfs/dbraw/zinc/40/91/65/1017409165.db2.gz WMWSOGQGSNPWBA-KOLCDFICSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001598765170 1017409468 /nfs/dbraw/zinc/40/94/68/1017409468.db2.gz HQICWJWUFUBKGJ-AXTSPUMRSA-N -1 0 313.306 -0.340 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1CCC(=O)N1C ZINC001598763484 1017409949 /nfs/dbraw/zinc/40/99/49/1017409949.db2.gz SDTKOVJNTUBRMQ-GUBZILKMSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)C[C@H]1COC(=O)C1 ZINC001598763713 1017410012 /nfs/dbraw/zinc/41/00/12/1017410012.db2.gz VRCGWZBZPSMGMW-UTLUCORTSA-N -1 0 313.306 -0.196 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N1CCOCC1 ZINC001598765250 1017410073 /nfs/dbraw/zinc/41/00/73/1017410073.db2.gz AHDDDAUENMZPFB-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001598765172 1017410105 /nfs/dbraw/zinc/41/01/05/1017410105.db2.gz HQICWJWUFUBKGJ-RGOKHQFPSA-N -1 0 313.306 -0.340 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CC1OCCO1 ZINC001598763362 1017410259 /nfs/dbraw/zinc/41/02/59/1017410259.db2.gz QPAQTPXCRIFKRS-BDAKNGLRSA-N -1 0 301.295 -0.386 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C[C@H](O)C1(O)CCC1 ZINC001598768228 1017410430 /nfs/dbraw/zinc/41/04/30/1017410430.db2.gz LFKTXFPBYBPAQU-VWYCJHECSA-N -1 0 301.339 -0.400 20 0 DBADRM COC(=O)[C@H]1C[C@@H](OC)CCN1CC(=O)NCCC(=O)[O-] ZINC001598764552 1017410636 /nfs/dbraw/zinc/41/06/36/1017410636.db2.gz HVOFKPKDRAELBO-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C[C@H]1CN(C)C(=O)O1 ZINC001598771936 1017411639 /nfs/dbraw/zinc/41/16/39/1017411639.db2.gz TVODBQVUXWQABF-BBBLOLIVSA-N -1 0 300.311 -0.225 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CSCC(N)=O ZINC001598771025 1017412120 /nfs/dbraw/zinc/41/21/20/1017412120.db2.gz XOLJWWJUJUMBIJ-HTQZYQBOSA-N -1 0 318.351 -0.930 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(=O)n(C)cn1 ZINC001598768822 1017412262 /nfs/dbraw/zinc/41/22/62/1017412262.db2.gz SKKZJVGBLXPLNF-WPRPVWTQSA-N -1 0 323.305 -0.741 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001598772305 1017412590 /nfs/dbraw/zinc/41/25/90/1017412590.db2.gz GBKHZIFBORNVBJ-IVZWLZJFSA-N -1 0 313.306 -0.196 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001598772301 1017412693 /nfs/dbraw/zinc/41/26/93/1017412693.db2.gz GBKHZIFBORNVBJ-AEJSXWLSSA-N -1 0 313.306 -0.196 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C[C@H]1CCS(=O)(=O)C1 ZINC001598768235 1017412897 /nfs/dbraw/zinc/41/28/97/1017412897.db2.gz LHKYYFVNXLTLSK-MXWKQRLJSA-N -1 0 319.379 -0.241 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc[n+]1[O-] ZINC001598770542 1017412917 /nfs/dbraw/zinc/41/29/17/1017412917.db2.gz QPTZHLFEGZRLQU-ONGXEEELSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCCC(N)=O)C1 ZINC001598774798 1017413720 /nfs/dbraw/zinc/41/37/20/1017413720.db2.gz LHYNCUBGKSSEPA-BDAKNGLRSA-N -1 0 300.311 -0.493 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)Cn2nccc2N)C1 ZINC001598774004 1017414669 /nfs/dbraw/zinc/41/46/69/1017414669.db2.gz OXVWJUPRJRMLJU-DTWKUNHWSA-N -1 0 310.310 -0.670 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cn(C)ccc2=O)C1 ZINC001598773567 1017415064 /nfs/dbraw/zinc/41/50/64/1017415064.db2.gz BDDSEMJRMXWMCL-GXSJLCMTSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C/Cn2cncn2)C1 ZINC001598780777 1017416523 /nfs/dbraw/zinc/41/65/23/1017416523.db2.gz LAVZRWVZRUGQQS-NTYHVHHESA-N -1 0 322.321 -0.301 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CN(C)C(=O)OC)C1 ZINC001598779214 1017417062 /nfs/dbraw/zinc/41/70/62/1017417062.db2.gz VZZDWUURDTURQB-BDAKNGLRSA-N -1 0 316.310 -0.451 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc[n+]([O-])c2)C1 ZINC001598782690 1017417139 /nfs/dbraw/zinc/41/71/39/1017417139.db2.gz ZXJLKJOYOIPWIM-WDEREUQCSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)C1CCC(NC(=O)CC(=O)[O-])(C(=O)OC)CC1 ZINC001598785557 1017417163 /nfs/dbraw/zinc/41/71/63/1017417163.db2.gz ZADNUMYQYVLJFZ-UHFFFAOYSA-N -1 0 301.295 -0.148 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc[n+]([O-])c2)C1 ZINC001598782685 1017417821 /nfs/dbraw/zinc/41/78/21/1017417821.db2.gz ZXJLKJOYOIPWIM-GHMZBOCLSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2CCOC(=O)N2)C1 ZINC001598779915 1017417844 /nfs/dbraw/zinc/41/78/44/1017417844.db2.gz JALNQXRXVIJJQF-IWSPIJDZSA-N -1 0 314.294 -0.650 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N[C@H](CCF)C(=O)[O-])C1=O ZINC001598790713 1017418543 /nfs/dbraw/zinc/41/85/43/1017418543.db2.gz RJIPDQLAZPLVKD-RKDXNWHRSA-N -1 0 318.301 -0.673 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@]2(F)CCOC2)[C@H](C(=O)[O-])C1 ZINC001598789313 1017418931 /nfs/dbraw/zinc/41/89/31/1017418931.db2.gz LMUBYRDPGUHURM-ZDMBXUJBSA-N -1 0 303.286 -0.020 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCc2nnc[nH]2)[C@@H](C(=O)[O-])C1 ZINC001598790683 1017419157 /nfs/dbraw/zinc/41/91/57/1017419157.db2.gz FUNGXMOWDRWOOC-RKDXNWHRSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H](C)S(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC001598788988 1017419665 /nfs/dbraw/zinc/41/96/65/1017419665.db2.gz JDPAGBMVIBWLEA-IWSPIJDZSA-N -1 0 321.351 -0.716 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)OC/C=C(/C)C(=O)[O-])C1=O ZINC001598788642 1017419721 /nfs/dbraw/zinc/41/97/21/1017419721.db2.gz GRQYQOJIKDUOGF-HYHWUIIZSA-N -1 0 313.306 -0.028 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H](C)S(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC001598788986 1017419827 /nfs/dbraw/zinc/41/98/27/1017419827.db2.gz JDPAGBMVIBWLEA-DJLDLDEBSA-N -1 0 321.351 -0.716 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cncc(OC)n2)[C@@H](C(=O)[O-])C1 ZINC001598792017 1017419965 /nfs/dbraw/zinc/41/99/65/1017419965.db2.gz CHAJXEIXCDVSHK-WCBMZHEXSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cccn(C)c2=O)[C@H](C(=O)[O-])C1 ZINC001598794933 1017421345 /nfs/dbraw/zinc/42/13/45/1017421345.db2.gz MLQONIHLBGUTPI-KOLCDFICSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cc(CO)on2)[C@H](C(=O)[O-])C1 ZINC001598795129 1017421548 /nfs/dbraw/zinc/42/15/48/1017421548.db2.gz DCCMWPVPPNOVCV-XVKPBYJWSA-N -1 0 312.278 -0.355 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cnc(C)nc2N)[C@@H](C(=O)[O-])C1 ZINC001598795950 1017421672 /nfs/dbraw/zinc/42/16/72/1017421672.db2.gz RDVBXRQMXKSZCW-WCBMZHEXSA-N -1 0 322.321 -0.154 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)[C@@H](C(=O)[O-])C1 ZINC001598793987 1017421784 /nfs/dbraw/zinc/42/17/84/1017421784.db2.gz RUTKIUURKLKSJH-OPRDCNLKSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cc2nnc(C)o2)[C@H](C(=O)[O-])C1 ZINC001598793993 1017422047 /nfs/dbraw/zinc/42/20/47/1017422047.db2.gz NNQXFSBBIRDXAB-IUCAKERBSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cnc(C)nc2N)[C@@H](C(=O)[O-])C1 ZINC001598795948 1017422315 /nfs/dbraw/zinc/42/23/15/1017422315.db2.gz RDVBXRQMXKSZCW-PSASIEDQSA-N -1 0 322.321 -0.154 20 0 DBADRM C[C@H](C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001497563733 1017422474 /nfs/dbraw/zinc/42/24/74/1017422474.db2.gz TWMXLHHISMXYIX-PKRMOACSSA-N -1 0 306.330 -0.875 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cc2nnc(C)o2)[C@@H](C(=O)[O-])C1 ZINC001598793989 1017422627 /nfs/dbraw/zinc/42/26/27/1017422627.db2.gz NNQXFSBBIRDXAB-DTWKUNHWSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H](C)[C@@H]2CCC(=O)N2)C[C@@H]1C(=O)[O-] ZINC001598804047 1017424292 /nfs/dbraw/zinc/42/42/92/1017424292.db2.gz RUTDCGQFTCKDFX-RGOKHQFPSA-N -1 0 312.322 -0.767 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@@H](C)CC(=O)[O-])C[C@H]1C(=O)OC ZINC001598804072 1017424401 /nfs/dbraw/zinc/42/44/01/1017424401.db2.gz SDTVFYVWVKCIQN-XHNCKOQMSA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC001598805053 1017424420 /nfs/dbraw/zinc/42/44/20/1017424420.db2.gz YLBZUTYCYBRBJR-YUMQZZPRSA-N -1 0 321.351 -0.858 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N(C)C2CCC2)C[C@H]1C(=O)[O-] ZINC001598803117 1017424649 /nfs/dbraw/zinc/42/46/49/1017424649.db2.gz ITKVWQXUNFRDGE-ZJUUUORDSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1CCN2C(=O)N(C[C@H]3C[C@H]3C(=O)[O-])C(=O)[C@H]2C1 ZINC001598803113 1017424732 /nfs/dbraw/zinc/42/47/32/1017424732.db2.gz IQDHLWYOZAETJS-ZYUZMQFOSA-N -1 0 310.306 -0.077 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1C(=O)[O-] ZINC001598809844 1017425899 /nfs/dbraw/zinc/42/58/99/1017425899.db2.gz TXPDXVGKFKRNHD-HBNTYKKESA-N -1 0 321.333 -0.222 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCn3ncnc32)C[C@@H]1C(=O)[O-] ZINC001598807406 1017425937 /nfs/dbraw/zinc/42/59/37/1017425937.db2.gz MJFJWSOKZNDFMS-LPEHRKFASA-N -1 0 322.321 -0.512 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1C(=O)[O-] ZINC001598810481 1017426219 /nfs/dbraw/zinc/42/62/19/1017426219.db2.gz LFMOOHWBHGHMBP-GHMZBOCLSA-N -1 0 309.322 -0.315 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1C(=O)[O-] ZINC001598809981 1017426237 /nfs/dbraw/zinc/42/62/37/1017426237.db2.gz JFSOMEBLMRDVJQ-VXGBXAGGSA-N -1 0 323.349 -0.007 20 0 DBADRM COC(=O)C1CN(C(=O)[C@H]2CC[C@@H]2C(=O)N2CC(C(=O)[O-])C2)C1 ZINC001598808116 1017426310 /nfs/dbraw/zinc/42/63/10/1017426310.db2.gz NRPWANUHTSXQGY-QWRGUYRKSA-N -1 0 324.333 -0.813 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C2(C(=O)NC3CC3)CC2)C[C@@H]1C(=O)[O-] ZINC001598809413 1017426408 /nfs/dbraw/zinc/42/64/08/1017426408.db2.gz SAGVGTWOGZPOIV-UWVGGRQHSA-N -1 0 324.333 -0.623 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCCO2)C[C@H]1C(=O)[O-] ZINC001598807374 1017426618 /nfs/dbraw/zinc/42/66/18/1017426618.db2.gz IRGVWFQGBNBAHI-BBBLOLIVSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CC2OCCCO2)C[C@H]1C(=O)[O-] ZINC001598807448 1017426909 /nfs/dbraw/zinc/42/69/09/1017426909.db2.gz AOJJDKNGWJGCTJ-BDAKNGLRSA-N -1 0 301.295 -0.528 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2cncnc2OC)C[C@@H]1C(=O)[O-] ZINC001598814773 1017428207 /nfs/dbraw/zinc/42/82/07/1017428207.db2.gz MVSLCLPPPYOFSL-YUMQZZPRSA-N -1 0 324.293 -0.177 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCCOC2)C[C@@H]1C(=O)[O-] ZINC001598811373 1017429069 /nfs/dbraw/zinc/42/90/69/1017429069.db2.gz WDRYTTAKSIHEBG-OUAUKWLOSA-N -1 0 314.338 -0.072 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N2CCSCC2)C[C@H]1C(=O)[O-] ZINC001598812360 1017429413 /nfs/dbraw/zinc/42/94/13/1017429413.db2.gz ZZBMALCESCOEFM-BDAKNGLRSA-N -1 0 302.352 -0.039 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N[C@H]2CCCOC2)C[C@@H]1C(=O)[O-] ZINC001598813549 1017429481 /nfs/dbraw/zinc/42/94/81/1017429481.db2.gz GPCIMKRRERFOLM-GUBZILKMSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1C(=O)[O-] ZINC001598812046 1017429622 /nfs/dbraw/zinc/42/96/22/1017429622.db2.gz PESCGNWQCXLJRW-GHMZBOCLSA-N -1 0 307.306 -0.259 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)COc2cccnc2)C[C@@H]1C(=O)[O-] ZINC001598813287 1017429632 /nfs/dbraw/zinc/42/96/32/1017429632.db2.gz UIVGUDJLMSXEJA-WDEREUQCSA-N -1 0 308.290 -0.207 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCN2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598813103 1017429834 /nfs/dbraw/zinc/42/98/34/1017429834.db2.gz SILIWLMHGOUISG-QWRGUYRKSA-N -1 0 314.338 -0.959 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@@H]1C(=O)[O-] ZINC001598815306 1017431332 /nfs/dbraw/zinc/43/13/32/1017431332.db2.gz ORJGLFWRQNCDMA-DCAQKATOSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001598815053 1017431495 /nfs/dbraw/zinc/43/14/95/1017431495.db2.gz OFBYLKVGRCNJKW-SGIHWFKDSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)[C@H]1CN(C)CCN(C(=O)c2cc(C(=O)[O-])no2)C1 ZINC001598817979 1017432008 /nfs/dbraw/zinc/43/20/08/1017432008.db2.gz IWDKHESSAQEZFA-QMMMGPOBSA-N -1 0 311.294 -0.450 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H]1C(=O)OC ZINC001598816637 1017432152 /nfs/dbraw/zinc/43/21/52/1017432152.db2.gz SQEXPNVQTZMLIK-YNFQOJQRSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)[C@@H]1CN(C)CCN(C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC001598820947 1017432961 /nfs/dbraw/zinc/43/29/61/1017432961.db2.gz WWZTZLBWQQBBAG-SNVBAGLBSA-N -1 0 321.333 -0.043 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccc(CO)nc2)C[C@@H]1C(=O)[O-] ZINC001598819911 1017433110 /nfs/dbraw/zinc/43/31/10/1017433110.db2.gz VDBMPSBKFZOHNA-QWRGUYRKSA-N -1 0 308.290 -0.480 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cncc(C=O)c2)C[C@H]1C(=O)[O-] ZINC001598822323 1017433584 /nfs/dbraw/zinc/43/35/84/1017433584.db2.gz PWEPNJHJGRMDPP-GHMZBOCLSA-N -1 0 306.274 -0.160 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)N2CCCC2)C[C@H]1C(=O)[O-] ZINC001598823419 1017433919 /nfs/dbraw/zinc/43/39/19/1017433919.db2.gz COHSQPMLNVAIPA-BDAKNGLRSA-N -1 0 306.340 -0.867 20 0 DBADRM Cn1nccc1CCC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497590262 1017436334 /nfs/dbraw/zinc/43/63/34/1017436334.db2.gz HFNMQDOLEBRVCZ-IHWYPQMZSA-N -1 0 319.369 -0.361 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)N(C)CC2CC2)C[C@@H]1C(=O)[O-] ZINC001598826116 1017436663 /nfs/dbraw/zinc/43/66/63/1017436663.db2.gz MFRQJTNXLDCQEL-VHSXEESVSA-N -1 0 320.367 -0.621 20 0 DBADRM COC(=O)[C@@H]1CN(c2cc(-n3ccnc3)ncn2)C[C@H]1C(=O)[O-] ZINC001598824866 1017437049 /nfs/dbraw/zinc/43/70/49/1017437049.db2.gz BFTGLSKOKRTCPM-NXEZZACHSA-N -1 0 317.305 -0.028 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)N2CCCCC2)C[C@H]1C(=O)[O-] ZINC001598824211 1017437172 /nfs/dbraw/zinc/43/71/72/1017437172.db2.gz GGRYETUYWHCZBD-ZJUUUORDSA-N -1 0 320.367 -0.477 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)N(C)CC2CC2)C[C@H]1C(=O)[O-] ZINC001598826117 1017437509 /nfs/dbraw/zinc/43/75/09/1017437509.db2.gz MFRQJTNXLDCQEL-ZJUUUORDSA-N -1 0 320.367 -0.621 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C[C@@H]1C(=O)[O-] ZINC001598827418 1017437612 /nfs/dbraw/zinc/43/76/12/1017437612.db2.gz QERNPYZFNZAKKU-UTINFBMNSA-N -1 0 321.351 -0.701 20 0 DBADRM COC(=O)[C@@H]1CN(c2ccc3nc(C)nn3n2)C[C@H]1C(=O)[O-] ZINC001598828749 1017439387 /nfs/dbraw/zinc/43/93/87/1017439387.db2.gz SCMIWPXZYFWMCY-RKDXNWHRSA-N -1 0 305.294 -0.257 20 0 DBADRM COC(=O)/C=C(\C)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001598832762 1017440386 /nfs/dbraw/zinc/44/03/86/1017440386.db2.gz XAVZSJHVGUTSSK-NAZIUFLLSA-N -1 0 305.352 -0.321 20 0 DBADRM COC(=O)C[C@@H](C)CC(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001598835983 1017440553 /nfs/dbraw/zinc/44/05/53/1017440553.db2.gz QYBOFXXWXYYCCS-IUCAKERBSA-N -1 0 303.311 -0.092 20 0 DBADRM COC(=O)[C@H]1CN(CN2CC(F)(F)CC2=O)C[C@@H]1C(=O)[O-] ZINC001598829514 1017440822 /nfs/dbraw/zinc/44/08/22/1017440822.db2.gz SNKLRHODQIKPFX-YUMQZZPRSA-N -1 0 306.265 -0.383 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cc2c(cn1)OCCO2)C(=O)[O-] ZINC001598837237 1017442312 /nfs/dbraw/zinc/44/23/12/1017442312.db2.gz AKPHQGLIBLJEBX-QMMMGPOBSA-N -1 0 310.262 -0.401 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001598840563 1017442319 /nfs/dbraw/zinc/44/23/19/1017442319.db2.gz QEYNPOJUSWHPGS-QMMMGPOBSA-N -1 0 324.289 -0.637 20 0 DBADRM COC(=O)C[C@H](NC(=O)CC[C@@]1(C)CCC(=O)N1)C(=O)[O-] ZINC001598838196 1017442582 /nfs/dbraw/zinc/44/25/82/1017442582.db2.gz UNHUYEUDTRYAAZ-SDBXPKJASA-N -1 0 300.311 -0.432 20 0 DBADRM COC(=O)C[C@H](O)CNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001598841424 1017442631 /nfs/dbraw/zinc/44/26/31/1017442631.db2.gz QCGDKLIGCXCVSM-LURJTMIESA-N -1 0 323.348 -0.351 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cnc(C2CC2)nc1N)C(=O)[O-] ZINC001598840364 1017442802 /nfs/dbraw/zinc/44/28/02/1017442802.db2.gz KLEVQQFHVHDGPH-MRVPVSSYSA-N -1 0 308.294 -0.318 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cccc(N)c1)C(=O)[O-] ZINC001598840568 1017442851 /nfs/dbraw/zinc/44/28/51/1017442851.db2.gz QSHBLEYFUGTQQA-SECBINFHSA-N -1 0 302.308 -0.437 20 0 DBADRM COC(=O)C[C@H]1CSCCN1CN1C[C@H](C(=O)[O-])CC1=O ZINC001598845021 1017443878 /nfs/dbraw/zinc/44/38/78/1017443878.db2.gz XYMWMSKIKBMHOB-ZJUUUORDSA-N -1 0 316.379 -0.143 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nn2)CCO1 ZINC001598844909 1017444060 /nfs/dbraw/zinc/44/40/60/1017444060.db2.gz HSOONNAKWWWQNV-MRVPVSSYSA-N -1 0 324.293 -0.029 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)NC[C@H](O)CC(=O)[O-])CC1 ZINC001598842146 1017444287 /nfs/dbraw/zinc/44/42/87/1017444287.db2.gz AHDDIFLINMCEEC-MRVPVSSYSA-N -1 0 309.340 -0.915 20 0 DBADRM COC(=O)C[C@H](O)CNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001598842077 1017444398 /nfs/dbraw/zinc/44/43/98/1017444398.db2.gz WWKGZADRWXFIKY-IVZWLZJFSA-N -1 0 323.367 -0.527 20 0 DBADRM COC(=O)C[C@H]1CN(CCc2cn(CC(=O)[O-])nn2)CCO1 ZINC001598845894 1017444435 /nfs/dbraw/zinc/44/44/35/1017444435.db2.gz XAJNFNBUHFTYBQ-NSHDSACASA-N -1 0 312.326 -0.831 20 0 DBADRM COC(=O)C[C@H]1CN(S(=O)(=O)C2(C(=O)[O-])CCC2)CCO1 ZINC001598845261 1017445259 /nfs/dbraw/zinc/44/52/59/1017445259.db2.gz NWZGIVCDKNZNSZ-VIFPVBQESA-N -1 0 321.351 -0.413 20 0 DBADRM COC(=O)CCCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001598851240 1017447056 /nfs/dbraw/zinc/44/70/56/1017447056.db2.gz YSIVETZATUCYIG-QPUJVOFHSA-N -1 0 321.351 -0.666 20 0 DBADRM COC(=O)CCCS(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001598852211 1017447081 /nfs/dbraw/zinc/44/70/81/1017447081.db2.gz IIFGBEKQHNGADQ-NSHDSACASA-N -1 0 309.340 -0.507 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(C(=O)[O-])co1 ZINC001598847395 1017447344 /nfs/dbraw/zinc/44/73/44/1017447344.db2.gz ZJSSFFOVFAYGNO-QMMMGPOBSA-N -1 0 310.262 -0.519 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001598852461 1017448084 /nfs/dbraw/zinc/44/80/84/1017448084.db2.gz QWJGCJBXHMWIQL-BDAKNGLRSA-N -1 0 309.340 -0.557 20 0 DBADRM COC(=O)CCCCCS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001598851481 1017448677 /nfs/dbraw/zinc/44/86/77/1017448677.db2.gz VIZFKDGCGDDAPE-GXSJLCMTSA-N -1 0 323.367 -0.119 20 0 DBADRM COC(=O)CCCc1nc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])no1 ZINC001598852747 1017448776 /nfs/dbraw/zinc/44/87/76/1017448776.db2.gz BAMBWJBZKFSHNS-RKDXNWHRSA-N -1 0 313.310 -0.415 20 0 DBADRM O=C(NCC=CCNCc1cscn1)c1n[nH]c(=O)[n-]c1=O ZINC001497627148 1017449327 /nfs/dbraw/zinc/44/93/27/1017449327.db2.gz PPEFVCVBQQDWBG-UPHRSURJSA-N -1 0 322.350 -0.185 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CCCC(=O)N1C)C(=O)[O-] ZINC001598856286 1017450032 /nfs/dbraw/zinc/45/00/32/1017450032.db2.gz UCGZDHKOPVIPFR-RKDXNWHRSA-N -1 0 300.311 -0.480 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CCCN(C)C1=O)C(=O)[O-] ZINC001598855186 1017450319 /nfs/dbraw/zinc/45/03/19/1017450319.db2.gz GPTFPYQQYHVDFR-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)OC ZINC001598856885 1017450686 /nfs/dbraw/zinc/45/06/86/1017450686.db2.gz KOEIZGMQMJLMMQ-HRDYMLBCSA-N -1 0 317.294 -0.770 20 0 DBADRM COC(=O)CCNC(=O)Cn1nc(C(=O)OC)cc1C(=O)[O-] ZINC001598855520 1017450948 /nfs/dbraw/zinc/45/09/48/1017450948.db2.gz WZGWPGSRSREBPV-UHFFFAOYSA-N -1 0 313.266 -0.953 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CCCCNC(N)=O)C(=O)[O-] ZINC001598856032 1017451455 /nfs/dbraw/zinc/45/14/55/1017451455.db2.gz HFJFATONPLXUAG-MRVPVSSYSA-N -1 0 303.315 -0.652 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CCCc2nn[nH]c21)C(=O)[O-] ZINC001598854792 1017451517 /nfs/dbraw/zinc/45/15/17/1017451517.db2.gz CHUSLFUTCJBARQ-VXNVDRBHSA-N -1 0 310.310 -0.253 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H](OC)[C@H]1CCOC1)C(=O)[O-] ZINC001598855817 1017451553 /nfs/dbraw/zinc/45/15/53/1017451553.db2.gz OBGZXGLSWXTMNQ-NGZCFLSTSA-N -1 0 303.311 -0.440 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CC(c2ccccn2)=NO1 ZINC001598860482 1017452107 /nfs/dbraw/zinc/45/21/07/1017452107.db2.gz CXONZCIEVWIHLQ-NSHDSACASA-N -1 0 321.289 -0.339 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccc2c1NC(=O)CO2 ZINC001598861749 1017452527 /nfs/dbraw/zinc/45/25/27/1017452527.db2.gz KQLSBUXJCREXGB-UHFFFAOYSA-N -1 0 322.273 -0.283 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cscn1)C(=O)[O-] ZINC001598858125 1017452694 /nfs/dbraw/zinc/45/26/94/1017452694.db2.gz IAYVYNYUFCYOTO-ZCFIWIBFSA-N -1 0 308.337 -0.172 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC001598861090 1017452767 /nfs/dbraw/zinc/45/27/67/1017452767.db2.gz VTBDBZVENTXKDL-IUCAKERBSA-N -1 0 300.311 -0.636 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCCNC(=O)C1CC1 ZINC001598860179 1017452828 /nfs/dbraw/zinc/45/28/28/1017452828.db2.gz CYBGFXXENGBTKS-UHFFFAOYSA-N -1 0 300.311 -0.621 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)COc1ccc(CO)cc1 ZINC001598860092 1017453519 /nfs/dbraw/zinc/45/35/19/1017453519.db2.gz NHKJXUAFYRQDKV-UHFFFAOYSA-N -1 0 311.290 -0.356 20 0 DBADRM COC(=O)CCc1nc(CS(=O)(=O)C[C@H](C)C(=O)[O-])no1 ZINC001598859281 1017453856 /nfs/dbraw/zinc/45/38/56/1017453856.db2.gz YOSGVHINDUYYBT-ZETCQYMHSA-N -1 0 320.323 -0.189 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cn1nc2n(c1=O)CCCCC2 ZINC001598862363 1017455047 /nfs/dbraw/zinc/45/50/47/1017455047.db2.gz DRAFHXUXHKNSOG-UHFFFAOYSA-N -1 0 312.326 -0.712 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccnc2c1CC(=O)N2 ZINC001598862014 1017455508 /nfs/dbraw/zinc/45/55/08/1017455508.db2.gz UUQXUCMGNJFWRI-UHFFFAOYSA-N -1 0 307.262 -0.724 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001598863397 1017455543 /nfs/dbraw/zinc/45/55/43/1017455543.db2.gz LPTBXRJUFZBMRV-LLVKDONJSA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc2c(N)ncnc2c1 ZINC001598861986 1017455992 /nfs/dbraw/zinc/45/59/92/1017455992.db2.gz RYUKPXCORFRAAV-UHFFFAOYSA-N -1 0 318.289 -0.088 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1c1ccc(C(=O)[O-])nn1 ZINC001598864330 1017456159 /nfs/dbraw/zinc/45/61/59/1017456159.db2.gz GHDSNXSGJDZZMJ-SECBINFHSA-N -1 0 308.294 -0.567 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)C[C@@H](OC)C1CC1 ZINC001598862306 1017456185 /nfs/dbraw/zinc/45/61/85/1017456185.db2.gz AYLNXTDTIPIWTN-SECBINFHSA-N -1 0 309.340 -0.699 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cncc(C)c1 ZINC001598862368 1017456271 /nfs/dbraw/zinc/45/62/71/1017456271.db2.gz OXGKINLUYBISQQ-UHFFFAOYSA-N -1 0 302.308 -0.362 20 0 DBADRM COC(=O)CN(CC(=O)OC)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001598862157 1017456587 /nfs/dbraw/zinc/45/65/87/1017456587.db2.gz DMWCINCTKMXWIK-SECBINFHSA-N -1 0 301.295 -0.218 20 0 DBADRM COC(=O)COCCNS(=O)(=O)c1scnc1C(=O)[O-] ZINC001598865819 1017457756 /nfs/dbraw/zinc/45/77/56/1017457756.db2.gz LKWQWFSFWAKWCH-UHFFFAOYSA-N -1 0 324.336 -0.691 20 0 DBADRM COC(=O)COCCNC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001598866527 1017457847 /nfs/dbraw/zinc/45/78/47/1017457847.db2.gz WGMDKAIMXGVITJ-NXEZZACHSA-N -1 0 302.327 -0.072 20 0 DBADRM COC(=O)CNC(=O)COC(=O)c1cscc1C(=O)[O-] ZINC001598864941 1017458179 /nfs/dbraw/zinc/45/81/79/1017458179.db2.gz MRMWPLWCRATULI-UHFFFAOYSA-N -1 0 301.276 -0.108 20 0 DBADRM COC(=O)COCC(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC001598866578 1017458367 /nfs/dbraw/zinc/45/83/67/1017458367.db2.gz YFLRCWOMFVFWCF-SNVBAGLBSA-N -1 0 303.311 -0.438 20 0 DBADRM COC(=O)COCC(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001598864758 1017458707 /nfs/dbraw/zinc/45/87/07/1017458707.db2.gz OJXINOYACZWQBW-IUCAKERBSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)CSCCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598867971 1017458853 /nfs/dbraw/zinc/45/88/53/1017458853.db2.gz FZJYXIAYSOXBNO-OCAPTIKFSA-N -1 0 311.381 -0.325 20 0 DBADRM COC(=O)COc1cccc(C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001598867378 1017459160 /nfs/dbraw/zinc/45/91/60/1017459160.db2.gz YBMYHDFLSQXLMF-UHFFFAOYSA-N -1 0 324.289 -0.831 20 0 DBADRM COC(=O)C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC001598871844 1017460270 /nfs/dbraw/zinc/46/02/70/1017460270.db2.gz ULPATAIBUSXOEM-SNVBAGLBSA-N -1 0 320.261 -0.165 20 0 DBADRM COC(=O)N(C)CC(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC001598875823 1017460547 /nfs/dbraw/zinc/46/05/47/1017460547.db2.gz GOJIHYHVOBRMHF-MRVPVSSYSA-N -1 0 301.324 -0.047 20 0 DBADRM COC(=O)N(C)CCN(C)C(=O)C(=O)NCCCC(=O)[O-] ZINC001598877191 1017460749 /nfs/dbraw/zinc/46/07/49/1017460749.db2.gz UVTGHSBVNPYTHE-UHFFFAOYSA-N -1 0 303.315 -0.876 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)NCCOCC(=O)[O-])C[C@H]1C ZINC001598871150 1017460773 /nfs/dbraw/zinc/46/07/73/1017460773.db2.gz ZVCLHAGMEYICNL-NXEZZACHSA-N -1 0 302.327 -0.072 20 0 DBADRM COC(=O)N1CC(C)(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1 ZINC001598875343 1017461010 /nfs/dbraw/zinc/46/10/10/1017461010.db2.gz AZEBJWQJPKWDTB-IWSPIJDZSA-N -1 0 300.311 -0.179 20 0 DBADRM COC(=O)C[C@@H](OC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC001598869667 1017461450 /nfs/dbraw/zinc/46/14/50/1017461450.db2.gz YNKBXOCCZLBIDW-HTQZYQBOSA-N -1 0 302.283 -0.663 20 0 DBADRM COC(=O)NCC(=O)O[C@H]1C[C@H](C(=O)OC)C[C@H](C(=O)[O-])C1 ZINC001598883103 1017462582 /nfs/dbraw/zinc/46/25/82/1017462582.db2.gz KMSSQJPCVRMTMX-DJLDLDEBSA-N -1 0 317.294 -0.072 20 0 DBADRM COC(=O)NCC(=O)NC[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001598882821 1017462820 /nfs/dbraw/zinc/46/28/20/1017462820.db2.gz HQEUYWYKDZRLBU-SSDOTTSWSA-N -1 0 311.298 -0.553 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001598880488 1017463166 /nfs/dbraw/zinc/46/31/66/1017463166.db2.gz SIKRZERSZYVBIN-SECBINFHSA-N -1 0 310.310 -0.072 20 0 DBADRM COC(=O)N1CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])CC1 ZINC001598882002 1017463575 /nfs/dbraw/zinc/46/35/75/1017463575.db2.gz NIACXYRGDNOLJP-LLVKDONJSA-N -1 0 315.370 -0.014 20 0 DBADRM COC(=O)NC1CCN([C@H]2CCN(CCC(=O)[O-])C2=O)CC1 ZINC001598882201 1017463640 /nfs/dbraw/zinc/46/36/40/1017463640.db2.gz QJVYPEOPKVHVJB-NSHDSACASA-N -1 0 313.354 -0.118 20 0 DBADRM COC(=O)NC(C)(C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001598881783 1017463691 /nfs/dbraw/zinc/46/36/91/1017463691.db2.gz JUTUIPYSCCAYAK-UHFFFAOYSA-N -1 0 311.298 -0.506 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)NCc1c(C)nn(CC(=O)[O-])c1C ZINC001598884141 1017464883 /nfs/dbraw/zinc/46/48/83/1017464883.db2.gz KUKHTSHYOWDYHR-QMMMGPOBSA-N -1 0 312.326 -0.055 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001598884026 1017465872 /nfs/dbraw/zinc/46/58/72/1017465872.db2.gz FHANNCYDMYRYMR-XHNCKOQMSA-N -1 0 316.310 -0.404 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001598884024 1017466355 /nfs/dbraw/zinc/46/63/55/1017466355.db2.gz FHANNCYDMYRYMR-CIUDSAMLSA-N -1 0 316.310 -0.404 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CS(=O)(=O)C1CC1 ZINC001598890876 1017466506 /nfs/dbraw/zinc/46/65/06/1017466506.db2.gz YNUDDTAQXPFDSJ-MRVPVSSYSA-N -1 0 307.324 -0.914 20 0 DBADRM COC(=O)[C@@H](NC(=O)CN1C[C@@H](F)C[C@H]1C(=O)[O-])C(C)C ZINC001598894280 1017468047 /nfs/dbraw/zinc/46/80/47/1017468047.db2.gz HSLCZSJJGJVYOC-QXEWZRGKSA-N -1 0 304.318 -0.203 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1ncc(C(=O)[O-])cc1=O)C(C)C ZINC001598894433 1017468233 /nfs/dbraw/zinc/46/82/33/1017468233.db2.gz SGPHMQXGJOYJPL-NSHDSACASA-N -1 0 311.294 -0.745 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNS(=O)(=O)c1scnc1C(=O)[O-] ZINC001598900869 1017471338 /nfs/dbraw/zinc/47/13/38/1017471338.db2.gz XPLUZVLXXJIDHC-PHDIDXHHSA-N -1 0 320.348 -0.071 20 0 DBADRM COC(=O)[C@@H]1CC(F)(F)CN1CCC(=O)N(C)CC(=O)[O-] ZINC001598893345 1017468580 /nfs/dbraw/zinc/46/85/80/1017468580.db2.gz FTJRFZCWRNLNFN-QMMMGPOBSA-N -1 0 308.281 -0.198 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)C1 ZINC001598896400 1017469176 /nfs/dbraw/zinc/46/91/76/1017469176.db2.gz DHEKNWCDNBPCNS-PTRXPTGYSA-N -1 0 321.351 -0.509 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cc2c(cn1)OCCO2 ZINC001598892275 1017469185 /nfs/dbraw/zinc/46/91/85/1017469185.db2.gz LQTJELLKWNIMFG-MRVPVSSYSA-N -1 0 324.289 -0.011 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1nc2nccc(C)n2n1 ZINC001598893680 1017469222 /nfs/dbraw/zinc/46/92/22/1017469222.db2.gz QVAZHJRSKKHMSO-MRVPVSSYSA-N -1 0 321.293 -0.431 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1nc(C)c(C)[nH]c1=O ZINC001598892971 1017469482 /nfs/dbraw/zinc/46/94/82/1017469482.db2.gz IBKAQFNDGGZYLD-MRVPVSSYSA-N -1 0 311.294 -0.477 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cnc2cccnn21 ZINC001598893306 1017469514 /nfs/dbraw/zinc/46/95/14/1017469514.db2.gz NSQVDNFXUYKHRI-MRVPVSSYSA-N -1 0 306.278 -0.135 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cc(C(N)=O)cs1 ZINC001598893414 1017469581 /nfs/dbraw/zinc/46/95/81/1017469581.db2.gz VUUNROBZDXTHAM-SSDOTTSWSA-N -1 0 314.319 -0.017 20 0 DBADRM COC(=O)[C@@H]1CN([C@@H]2CCN(CCC(=O)[O-])C2=O)C[C@@H](C)O1 ZINC001598898237 1017470674 /nfs/dbraw/zinc/47/06/74/1017470674.db2.gz POCDRGLMRMDPOF-MXWKQRLJSA-N -1 0 314.338 -0.676 20 0 DBADRM COC(=O)[C@H]1[C@@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])[nH]n3)C[C@@H]21 ZINC001598901921 1017471468 /nfs/dbraw/zinc/47/14/68/1017471468.db2.gz LHQZNQIXOPCTMN-KPCSLPGQSA-N -1 0 315.307 -0.853 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001598900844 1017472487 /nfs/dbraw/zinc/47/24/87/1017472487.db2.gz ZUZNWHOAUDGGJR-SFYZADRCSA-N -1 0 309.340 -0.965 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001598901787 1017471836 /nfs/dbraw/zinc/47/18/36/1017471836.db2.gz QCMNWVFUEGNXSE-IMTBSYHQSA-N -1 0 319.291 -0.413 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001598901790 1017472122 /nfs/dbraw/zinc/47/21/22/1017472122.db2.gz QDVGUPDRORRLFV-IMTBSYHQSA-N -1 0 310.266 -0.373 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C[C@H]1C ZINC001598901731 1017472159 /nfs/dbraw/zinc/47/21/59/1017472159.db2.gz NBQVUZPJUHRBGL-SOYHJAILSA-N -1 0 303.286 -0.023 20 0 DBADRM COC(=O)[C@@H]1CN([C@H]2CCN(CCC(=O)[O-])C2=O)C[C@@H](C)O1 ZINC001598898238 1017472224 /nfs/dbraw/zinc/47/22/24/1017472224.db2.gz POCDRGLMRMDPOF-VWYCJHECSA-N -1 0 314.338 -0.676 20 0 DBADRM COC(=O)[C@H](C)N(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598902124 1017472523 /nfs/dbraw/zinc/47/25/23/1017472523.db2.gz ZLUCYCSSENCFRU-IUCAKERBSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001598902787 1017473373 /nfs/dbraw/zinc/47/33/73/1017473373.db2.gz MKKVTYGJKSDUNQ-DJLDLDEBSA-N -1 0 309.340 -0.795 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC001598907513 1017473778 /nfs/dbraw/zinc/47/37/78/1017473778.db2.gz QNDMUOWZQRSJQX-TVLCNXBWSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1OCC[C@H]1CNC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001598908675 1017473988 /nfs/dbraw/zinc/47/39/88/1017473988.db2.gz CBVRMSHBDMIOTH-YTWAJWBKSA-N -1 0 314.338 -0.073 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001598905198 1017474138 /nfs/dbraw/zinc/47/41/38/1017474138.db2.gz BDKGFQHBUTVAFL-OCAPTIKFSA-N -1 0 311.298 -0.773 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001598902609 1017474334 /nfs/dbraw/zinc/47/43/34/1017474334.db2.gz CCVCZDAAKMXPTG-BQBZGAKWSA-N -1 0 311.294 -0.491 20 0 DBADRM COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001598903273 1017474576 /nfs/dbraw/zinc/47/45/76/1017474576.db2.gz BLLYTUJIOKLGHV-JTQLQIEISA-N -1 0 321.293 -0.795 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001598905060 1017474820 /nfs/dbraw/zinc/47/48/20/1017474820.db2.gz NAEKUSVZUDNCAI-KXUCPTDWSA-N -1 0 322.321 -0.051 20 0 DBADRM COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001598903917 1017475009 /nfs/dbraw/zinc/47/50/09/1017475009.db2.gz TVPXVSXHHQJYFP-QMMMGPOBSA-N -1 0 319.277 -0.588 20 0 DBADRM COC(=O)[C@H]1CN(CN2C[C@H](C(=O)[O-])CC2=O)C[C@@H](C)O1 ZINC001598905121 1017475295 /nfs/dbraw/zinc/47/52/95/1017475295.db2.gz NWIVOUMEUBGTGP-OPRDCNLKSA-N -1 0 300.311 -0.861 20 0 DBADRM COC(=O)c1cc(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)n(C)n1 ZINC001598919945 1017476581 /nfs/dbraw/zinc/47/65/81/1017476581.db2.gz OSOZNZIQOVXBGD-XNCJUZBTSA-N -1 0 317.248 -0.098 20 0 DBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@@]12CCOC2 ZINC001497721940 1017476675 /nfs/dbraw/zinc/47/66/75/1017476675.db2.gz HPZDZCBMSJKKRV-PNUYRZAZSA-N -1 0 307.354 -0.301 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)NC[C@H](C)C(=O)[O-] ZINC001598912262 1017477046 /nfs/dbraw/zinc/47/70/46/1017477046.db2.gz RDXYGQOBJNIUDR-YFKPBYRVSA-N -1 0 305.312 -0.496 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H](CCF)C(=O)[O-] ZINC001598911865 1017477152 /nfs/dbraw/zinc/47/71/52/1017477152.db2.gz MMIAZAJMVKNJKG-LURJTMIESA-N -1 0 323.302 -0.404 20 0 DBADRM COC(=O)[C@]12C[C@H]1CCCN2CCc1cn(CC(=O)[O-])nn1 ZINC001598909788 1017477387 /nfs/dbraw/zinc/47/73/87/1017477387.db2.gz UKCMBQXABNXWQZ-YGRLFVJLSA-N -1 0 308.338 -0.067 20 0 DBADRM COC(=O)c1cc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)n(C)n1 ZINC001598940829 1017479827 /nfs/dbraw/zinc/47/98/27/1017479827.db2.gz CHSUYSAYLHWEGI-GFCCVEGCSA-N -1 0 312.282 -0.740 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])nc1 ZINC001598958169 1017480105 /nfs/dbraw/zinc/48/01/05/1017480105.db2.gz VZUAMOGDHISMHG-MNOVXSKESA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])c(C)o1 ZINC001598954054 1017480510 /nfs/dbraw/zinc/48/05/10/1017480510.db2.gz WHBVTZAWXAUEKP-ZETCQYMHSA-N -1 0 321.307 -0.511 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])n(C)c1 ZINC001598953954 1017480574 /nfs/dbraw/zinc/48/05/74/1017480574.db2.gz LAUVDUUKYSSKAR-ZETCQYMHSA-N -1 0 308.287 -0.487 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC001598956306 1017480686 /nfs/dbraw/zinc/48/06/86/1017480686.db2.gz FFXQYAKYSJXLQA-VIFPVBQESA-N -1 0 311.294 -0.837 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)on1 ZINC001598952745 1017480776 /nfs/dbraw/zinc/48/07/76/1017480776.db2.gz RBSULKDDRJHVTO-RNFRBKRXSA-N -1 0 318.307 -0.055 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])oc1C ZINC001598952899 1017481018 /nfs/dbraw/zinc/48/10/18/1017481018.db2.gz BDGIXHPKKIAYQN-ZETCQYMHSA-N -1 0 321.307 -0.511 20 0 DBADRM COC(=O)c1cc(NC(=O)NC[C@H](O)CC(=O)[O-])n(C)n1 ZINC001598944675 1017481104 /nfs/dbraw/zinc/48/11/04/1017481104.db2.gz HAOOYYWEHMPSSZ-ZCFIWIBFSA-N -1 0 300.271 -0.836 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)cn1 ZINC001598959062 1017481304 /nfs/dbraw/zinc/48/13/04/1017481304.db2.gz LEOZRHKETJFCBR-SECBINFHSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)n[nH]1 ZINC001598950668 1017481373 /nfs/dbraw/zinc/48/13/73/1017481373.db2.gz FDBOKGKRBQTDBM-QMMMGPOBSA-N -1 0 303.296 -0.662 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)n[nH]1 ZINC001598952142 1017481504 /nfs/dbraw/zinc/48/15/04/1017481504.db2.gz FBHDFUKFAOXRCL-RNFRBKRXSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1C(=O)[O-] ZINC001598986772 1017482768 /nfs/dbraw/zinc/48/27/68/1017482768.db2.gz IANHDAITEHDFCV-UHFFFAOYSA-N -1 0 317.319 -0.216 20 0 DBADRM COC(=O)c1ccc(N2CCC[C@H]2C(=O)NCC(=O)[O-])nn1 ZINC001598982591 1017483553 /nfs/dbraw/zinc/48/35/53/1017483553.db2.gz QKNXUWGLDHAMHT-VIFPVBQESA-N -1 0 308.294 -0.567 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)OC)[nH]1 ZINC001598960418 1017484047 /nfs/dbraw/zinc/48/40/47/1017484047.db2.gz XNPIIZBRLCQBGL-SECBINFHSA-N -1 0 312.278 -0.063 20 0 DBADRM COC(=O)c1ccc(/C=C\C(=O)NCC(=O)NCC(=O)[O-])o1 ZINC001598972120 1017484534 /nfs/dbraw/zinc/48/45/34/1017484534.db2.gz ASFZQMPCLCYINO-HYXAFXHYSA-N -1 0 310.262 -0.604 20 0 DBADRM COC(=O)c1ccc(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])n1C ZINC001598974790 1017484790 /nfs/dbraw/zinc/48/47/90/1017484790.db2.gz SWGPVTOODGUOGH-LLVKDONJSA-N -1 0 323.349 -0.023 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001599004931 1017485897 /nfs/dbraw/zinc/48/58/97/1017485897.db2.gz PQIJSIPUMKIHOJ-LLVKDONJSA-N -1 0 319.291 -0.724 20 0 DBADRM COC(=O)c1ccn(CCCC(=O)NC[C@H](F)C(=O)[O-])n1 ZINC001599006280 1017486497 /nfs/dbraw/zinc/48/64/97/1017486497.db2.gz OQCHBFVCHGHIIQ-QMMMGPOBSA-N -1 0 301.274 -0.011 20 0 DBADRM COC(=O)c1cn([C@@H]2CCN(C(=O)[C@H]3C[C@@H](C(=O)[O-])C3)C2)nn1 ZINC001599005770 1017486893 /nfs/dbraw/zinc/48/68/93/1017486893.db2.gz FPVIBYIXJZABRE-KXUCPTDWSA-N -1 0 322.321 -0.051 20 0 DBADRM COC(=O)c1cnc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)cn1 ZINC001599008093 1017487016 /nfs/dbraw/zinc/48/70/16/1017487016.db2.gz SMLRSAPVJLXHEK-JTQLQIEISA-N -1 0 319.277 -0.448 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CC[C@@H](OC)C[C@@H]2C(=O)[O-])cn1 ZINC001599007525 1017487173 /nfs/dbraw/zinc/48/71/73/1017487173.db2.gz JXZPMFTWAPRWHD-LDYMZIIASA-N -1 0 323.305 -0.033 20 0 DBADRM COC(=O)c1ccnc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c1 ZINC001599005033 1017487391 /nfs/dbraw/zinc/48/73/91/1017487391.db2.gz UIXDNGCLXLRFTM-QMMMGPOBSA-N -1 0 300.292 -0.284 20 0 DBADRM CO[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-])C1CCC1 ZINC001599024233 1017489640 /nfs/dbraw/zinc/48/96/40/1017489640.db2.gz WQTOQEVREJWNTM-ZYHUDNBSSA-N -1 0 319.379 -0.098 20 0 DBADRM COC(=O)c1cnn(CC(=O)N2CCC(O)(C(=O)[O-])CC2)c1 ZINC001599011708 1017489653 /nfs/dbraw/zinc/48/96/53/1017489653.db2.gz YFMVXEVVKMNYSG-UHFFFAOYSA-N -1 0 311.294 -0.892 20 0 DBADRM CO[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])[C@@H]1CCOC1 ZINC001599023422 1017489869 /nfs/dbraw/zinc/48/98/69/1017489869.db2.gz HTVJEIWSROBXGG-SCVCMEIPSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)c1cnn(C)c1 ZINC001599024569 1017489966 /nfs/dbraw/zinc/48/99/66/1017489966.db2.gz MNKAABHHDKIBTQ-LLVKDONJSA-N -1 0 320.309 -0.519 20 0 DBADRM CO[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC001599027494 1017490026 /nfs/dbraw/zinc/49/00/26/1017490026.db2.gz BPEZHVZWXAMQJJ-AATLWQCWSA-N -1 0 302.327 -0.868 20 0 DBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001599011613 1017490038 /nfs/dbraw/zinc/49/00/38/1017490038.db2.gz TZDLASGIJRSLHL-SSDOTTSWSA-N -1 0 324.293 -0.922 20 0 DBADRM COC(=O)c1nccc(NC(=O)Cc2ccc(C(=O)[O-])nc2)n1 ZINC001599016181 1017490734 /nfs/dbraw/zinc/49/07/34/1017490734.db2.gz HNLSZYNUHLARJE-UHFFFAOYSA-N -1 0 316.273 -0.041 20 0 DBADRM COC(=O)c1ncccc1S(=O)(=O)N[C@H](CCF)C(=O)[O-] ZINC001599016490 1017490978 /nfs/dbraw/zinc/49/09/78/1017490978.db2.gz XFQBADXDWADEQW-SSDOTTSWSA-N -1 0 320.298 -0.041 20 0 DBADRM CO[C@](C)(C(=O)NCC[C@H](O)C(=O)[O-])C(=O)OC(C)(C)C ZINC001599031712 1017492364 /nfs/dbraw/zinc/49/23/64/1017492364.db2.gz KUWGFQMXUDFVFO-ISVAXAHUSA-N -1 0 305.327 -0.315 20 0 DBADRM CO[C@H](C(=O)OCCc1cn(CC(=O)[O-])nn1)[C@@H]1CCOC1 ZINC001599028462 1017492753 /nfs/dbraw/zinc/49/27/53/1017492753.db2.gz BQCUERKXZBFSOE-SKDRFNHKSA-N -1 0 313.310 -0.500 20 0 DBADRM COC(C)(C)CNC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599032783 1017492777 /nfs/dbraw/zinc/49/27/77/1017492777.db2.gz IZTDMRCZFRTENU-JTQLQIEISA-N -1 0 316.354 -0.788 20 0 DBADRM COC(C)(C)CN(C)C(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001599033133 1017493441 /nfs/dbraw/zinc/49/34/41/1017493441.db2.gz VBKWWNROUSNBNG-CQSZACIVSA-N -1 0 316.354 -0.428 20 0 DBADRM CO[C@@H](C)CC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001599038682 1017494388 /nfs/dbraw/zinc/49/43/88/1017494388.db2.gz SFYKWJQNUMQESB-AEJSXWLSSA-N -1 0 324.337 -0.735 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)c1ccc2n[nH]nc2n1)OC ZINC001599046514 1017494630 /nfs/dbraw/zinc/49/46/30/1017494630.db2.gz KXOVZEXSFPTJNK-UHFFFAOYSA-N -1 0 323.309 -0.111 20 0 DBADRM CO[C@H](C)C(=O)NC1CC(CNc2ccnc(C(=O)[O-])n2)C1 ZINC001599036670 1017495469 /nfs/dbraw/zinc/49/54/69/1017495469.db2.gz UKBDFIGJFSSLIV-XNWIYYODSA-N -1 0 308.338 -0.062 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001599036982 1017495652 /nfs/dbraw/zinc/49/56/52/1017495652.db2.gz YSQHRXWRXWFJIE-XPTSAGLGSA-N -1 0 324.337 -0.733 20 0 DBADRM CO[C@H](C)CC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001599038683 1017495974 /nfs/dbraw/zinc/49/59/74/1017495974.db2.gz SFYKWJQNUMQESB-BBBLOLIVSA-N -1 0 324.337 -0.735 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)CS(=O)(=O)C1CC1)OC ZINC001599045360 1017496022 /nfs/dbraw/zinc/49/60/22/1017496022.db2.gz JQCOHRCGXPUIMZ-UHFFFAOYSA-N -1 0 323.367 -0.514 20 0 DBADRM CO[C@H](CS(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-])[C@H]1CCOC1 ZINC001599055112 1017497147 /nfs/dbraw/zinc/49/71/47/1017497147.db2.gz BZDQYOKGXWQIBJ-XWLWVQCSSA-N -1 0 307.368 -0.322 20 0 DBADRM COC(CN(CCC(=O)[O-])CC(=O)N1CCN(C)CC1)OC ZINC001599047927 1017497259 /nfs/dbraw/zinc/49/72/59/1017497259.db2.gz LKRYZVRBYBLVFX-UHFFFAOYSA-N -1 0 317.386 -0.844 20 0 DBADRM CO[C@H](CNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001599050947 1017497527 /nfs/dbraw/zinc/49/75/27/1017497527.db2.gz DIEIQFJWXYSISH-KKOKHZNYSA-N -1 0 316.354 -0.079 20 0 DBADRM CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@@H](CO)C(=O)[O-] ZINC001599051501 1017498140 /nfs/dbraw/zinc/49/81/40/1017498140.db2.gz OTHYNBGSJGHIFL-BDAKNGLRSA-N -1 0 320.342 -0.522 20 0 DBADRM COC1(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CS(=O)(=O)C1 ZINC001599062479 1017500536 /nfs/dbraw/zinc/50/05/36/1017500536.db2.gz PTXVIGPHMMJKQA-PELKAZGASA-N -1 0 303.336 -0.734 20 0 DBADRM CO[C@@H](CN1C(=O)N[C@H](CCC(=O)[O-])C1=O)[C@H]1CCOC1 ZINC001599048555 1017498552 /nfs/dbraw/zinc/49/85/52/1017498552.db2.gz UYFVGZDKSLGKJO-AEJSXWLSSA-N -1 0 300.311 -0.177 20 0 DBADRM CO[C@@H](CNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001599050952 1017498691 /nfs/dbraw/zinc/49/86/91/1017498691.db2.gz DIEIQFJWXYSISH-WYUUTHIRSA-N -1 0 316.354 -0.079 20 0 DBADRM CO[C@H](CS(=O)(=O)NC/C=C(/C)C(=O)[O-])[C@@H]1CCOC1 ZINC001599056299 1017498755 /nfs/dbraw/zinc/49/87/55/1017498755.db2.gz MRECYXJSOLFPRW-GIGCTMKZSA-N -1 0 307.368 -0.012 20 0 DBADRM CO[C@H](CS(=O)(=O)NCCn1cc(C(=O)[O-])nn1)C1CC1 ZINC001599056277 1017498771 /nfs/dbraw/zinc/49/87/71/1017498771.db2.gz MIVKGQSQCNORPD-SNVBAGLBSA-N -1 0 318.355 -0.679 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001599055415 1017498813 /nfs/dbraw/zinc/49/88/13/1017498813.db2.gz FWDACEXEOXCNAO-MMWGEVLESA-N -1 0 307.368 -0.180 20 0 DBADRM CO[C@@H](CNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001599050946 1017498978 /nfs/dbraw/zinc/49/89/78/1017498978.db2.gz DIEIQFJWXYSISH-BJDJZHNGSA-N -1 0 316.354 -0.079 20 0 DBADRM CO[C@@]1(C(=O)N2CC[C@](F)(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001599062487 1017499830 /nfs/dbraw/zinc/49/98/30/1017499830.db2.gz PUENWVGROSVZDH-MNOVXSKESA-N -1 0 309.315 -0.785 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC1(CC(=O)[O-])CC1)[C@@H]1CCOC1 ZINC001599056880 1017500202 /nfs/dbraw/zinc/50/02/02/1017500202.db2.gz OAIYVAXOHWPUFL-ZJUUUORDSA-N -1 0 307.368 -0.035 20 0 DBADRM COC(OC)C(=O)N1CCN(Cc2cnc(C(=O)[O-])cn2)CC1 ZINC001599060489 1017500421 /nfs/dbraw/zinc/50/04/21/1017500421.db2.gz SDVKVDVTBXACLT-UHFFFAOYSA-N -1 0 324.337 -0.562 20 0 DBADRM COC1(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CCOCC1 ZINC001599062031 1017500949 /nfs/dbraw/zinc/50/09/49/1017500949.db2.gz IGGRQXGRHANONO-UHFFFAOYSA-N -1 0 310.310 -0.445 20 0 DBADRM COC1(C(=O)N(C)c2ncc(C(=O)[O-])s2)CS(=O)(=O)C1 ZINC001599062776 1017501436 /nfs/dbraw/zinc/50/14/36/1017501436.db2.gz SYMMUSWTGLHYAJ-UHFFFAOYSA-N -1 0 320.348 -0.382 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@]23CCC(=O)N2CCS3)C1 ZINC001599066763 1017502677 /nfs/dbraw/zinc/50/26/77/1017502677.db2.gz YBDONQMHYMQVJN-CHWSQXEVSA-N -1 0 314.363 -0.246 20 0 DBADRM COC1(C(=O)N[C@H](C(=O)[O-])c2ccccc2)CS(=O)(=O)C1 ZINC001599063626 1017502996 /nfs/dbraw/zinc/50/29/96/1017502996.db2.gz SEFWNYVAYAVQPY-JTQLQIEISA-N -1 0 313.331 -0.258 20 0 DBADRM CO[C@]1(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001599064526 1017503067 /nfs/dbraw/zinc/50/30/67/1017503067.db2.gz CEBRBGKPFYOWIF-KBVBSXBZSA-N -1 0 305.352 -0.631 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2cccnc2)C1 ZINC001599066414 1017503078 /nfs/dbraw/zinc/50/30/78/1017503078.db2.gz DDPVFLXEVNTTPA-CQSZACIVSA-N -1 0 307.306 -0.600 20 0 DBADRM COC1(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CCOCC1 ZINC001599065008 1017503098 /nfs/dbraw/zinc/50/30/98/1017503098.db2.gz RUYLUYNEURLJEY-JTQLQIEISA-N -1 0 317.338 -0.096 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C1 ZINC001599065781 1017503232 /nfs/dbraw/zinc/50/32/32/1017503232.db2.gz MYXQHQWELGYREV-SDBXPKJASA-N -1 0 301.343 -0.229 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCOC[C@H]2C)C1 ZINC001599066273 1017503363 /nfs/dbraw/zinc/50/33/63/1017503363.db2.gz MFVIGMVWVQIJSZ-GPCCPHFNSA-N -1 0 314.338 -0.770 20 0 DBADRM COC1(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])CS(=O)(=O)C1 ZINC001599065007 1017503379 /nfs/dbraw/zinc/50/33/79/1017503379.db2.gz RTWVXTMTGXXHLL-YFKPBYRVSA-N -1 0 319.257 -0.678 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2COC(C)(C)C2)C1 ZINC001599068443 1017505079 /nfs/dbraw/zinc/50/50/79/1017505079.db2.gz YJOAUOPVGGMAPO-YMTOWFKASA-N -1 0 314.338 -0.628 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001599068223 1017505286 /nfs/dbraw/zinc/50/52/86/1017505286.db2.gz MDCLQWYETMSDJI-CYBMUJFWSA-N -1 0 313.310 -0.981 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCCOC[C@@H]2C)C1 ZINC001599067649 1017505525 /nfs/dbraw/zinc/50/55/25/1017505525.db2.gz UFMDZSIVGXFAHO-IINYFYTJSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@H]2CCCOC2)C1 ZINC001599068560 1017505685 /nfs/dbraw/zinc/50/56/85/1017505685.db2.gz ZAEIHINPPAGZEL-YGRLFVJLSA-N -1 0 314.338 -0.769 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001599068137 1017505937 /nfs/dbraw/zinc/50/59/37/1017505937.db2.gz KQPHWAZTLGJGFH-GWCFXTLKSA-N -1 0 319.379 -0.097 20 0 DBADRM CCn1cc(CNC[C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])nn1 ZINC001497807497 1017505864 /nfs/dbraw/zinc/50/58/64/1017505864.db2.gz VQLFNXURFOQAJR-MRVPVSSYSA-N -1 0 307.358 -0.057 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cnc(C)nc2)C1 ZINC001599070278 1017506694 /nfs/dbraw/zinc/50/66/94/1017506694.db2.gz UCLLWMXNYRBAQN-ZDUSSCGKSA-N -1 0 308.294 -0.574 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCc2nnnn2C2CC2)C1 ZINC001599069925 1017506806 /nfs/dbraw/zinc/50/68/06/1017506806.db2.gz GKYOPXOACPVDOE-LBPRGKRZSA-N -1 0 310.314 -0.607 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCc2nc3ncccn3n2)C1 ZINC001599070946 1017507456 /nfs/dbraw/zinc/50/74/56/1017507456.db2.gz OJVXJLKPMJZQFP-ZDUSSCGKSA-N -1 0 320.309 -0.491 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCc2ccco2)C1 ZINC001599070836 1017507464 /nfs/dbraw/zinc/50/74/64/1017507464.db2.gz XZXGXZDLUNEBKB-AWEZNQCLSA-N -1 0 310.306 -0.360 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001599070328 1017507506 /nfs/dbraw/zinc/50/75/06/1017507506.db2.gz LGJLXIQVLCTLLJ-HZMBPMFUSA-N -1 0 313.354 -0.119 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001599073637 1017507676 /nfs/dbraw/zinc/50/76/76/1017507676.db2.gz PJWVQYKQDLXUBX-GFCCVEGCSA-N -1 0 317.319 -0.001 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(CC(=O)NCC(=O)NC(C)(C)C)C1 ZINC001599076175 1017509651 /nfs/dbraw/zinc/50/96/51/1017509651.db2.gz IVDKKZZXWYIIMP-AWEZNQCLSA-N -1 0 315.370 -0.807 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnnn2C[C@]2(C)CCCO2)C1 ZINC001599082426 1017512017 /nfs/dbraw/zinc/51/20/17/1017512017.db2.gz YQJWDCXFBIWGOL-STQMWFEESA-N -1 0 311.342 -0.078 20 0 DBADRM COC1(CS(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CCOCC1 ZINC001599092641 1017513033 /nfs/dbraw/zinc/51/30/33/1017513033.db2.gz ZIURZVQKWIAHMK-URLYPYJESA-N -1 0 319.379 -0.226 20 0 DBADRM COC1(c2cnnn2C)CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001599093145 1017513332 /nfs/dbraw/zinc/51/33/32/1017513332.db2.gz CPMOHNAJFUJFGN-BDAKNGLRSA-N -1 0 310.310 -0.869 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2C[C@@H]2CCCCO2)C1 ZINC001599082412 1017513198 /nfs/dbraw/zinc/51/31/98/1017513198.db2.gz YPBINQQHMYHZAN-GXFFZTMASA-N -1 0 311.342 -0.078 20 0 DBADRM COC1CC(CCNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001599093496 1017513354 /nfs/dbraw/zinc/51/33/54/1017513354.db2.gz FWLSMYBWEPZZPQ-UHFFFAOYSA-N -1 0 324.337 -0.012 20 0 DBADRM CO[C@H]1CC[C@@H]1N(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599104208 1017514817 /nfs/dbraw/zinc/51/48/17/1017514817.db2.gz MWUMWQAVFQVIHL-XKNYDFJKSA-N -1 0 301.343 -0.217 20 0 DBADRM COC1(OC)CC(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC001599096143 1017515738 /nfs/dbraw/zinc/51/57/38/1017515738.db2.gz RECGYNVBIOVOOH-SNVBAGLBSA-N -1 0 302.327 -0.120 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)[C@H](O)C(C)(C)O)C(=O)[O-])C1 ZINC001599106532 1017515832 /nfs/dbraw/zinc/51/58/32/1017515832.db2.gz QZRRUFBYJHYMST-ZDCRXTMVSA-N -1 0 303.355 -0.107 20 0 DBADRM CO[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001599114162 1017515974 /nfs/dbraw/zinc/51/59/74/1017515974.db2.gz CFSWTIVMDFDKLA-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@@H]1CCCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001599115412 1017516218 /nfs/dbraw/zinc/51/62/18/1017516218.db2.gz NAQWXGARAKNQQR-LPEHRKFASA-N -1 0 301.343 -0.215 20 0 DBADRM COC1CC(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC001599093649 1017516487 /nfs/dbraw/zinc/51/64/87/1017516487.db2.gz HJHYQLGATNEJHW-VQXHTEKXSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@]1(Cn2nnnc2N2CC[C@H](C(=O)[O-])[C@H]2C)CCOC1 ZINC001599096087 1017516914 /nfs/dbraw/zinc/51/69/14/1017516914.db2.gz QUNLQVQNTDYGBM-NRUUGDAUSA-N -1 0 311.342 -0.222 20 0 DBADRM CO[C@@H]1CCN(C(=O)C2CCS(=O)(=O)CC2)[C@H](C(=O)[O-])C1 ZINC001599119747 1017517801 /nfs/dbraw/zinc/51/78/01/1017517801.db2.gz NVXBLHJUSPYKQY-MNOVXSKESA-N -1 0 319.379 -0.098 20 0 DBADRM CO[C@H]1CCN(C(=O)CNC(=O)N2CCCC2)[C@H](C(=O)[O-])C1 ZINC001599120197 1017517960 /nfs/dbraw/zinc/51/79/60/1017517960.db2.gz VLCBQBNNKYUXEU-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM CO[C@@H]1CCN(C(=O)c2cccc(C(N)=O)n2)[C@@H](C(=O)[O-])C1 ZINC001599120909 1017518192 /nfs/dbraw/zinc/51/81/92/1017518192.db2.gz DGSXZKMUMBFTFH-LDYMZIIASA-N -1 0 307.306 -0.115 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC001599120194 1017518276 /nfs/dbraw/zinc/51/82/76/1017518276.db2.gz QCWJYMMRRAYCQB-HLTSFMKQSA-N -1 0 308.356 -0.985 20 0 DBADRM CO[C@@H]1CCN(CC(=O)N2CCO[C@H](C)C2)[C@H](C(=O)[O-])C1 ZINC001599121561 1017518289 /nfs/dbraw/zinc/51/82/89/1017518289.db2.gz BZNUNMJJVQCYDR-UTUOFQBUSA-N -1 0 300.355 -0.202 20 0 DBADRM CO[C@@H]1CCN(C(=O)CS(=O)(=O)C2CC2)[C@@H](C(=O)[O-])C1 ZINC001599120868 1017518440 /nfs/dbraw/zinc/51/84/40/1017518440.db2.gz YEMPWJDYUUCWDT-PSASIEDQSA-N -1 0 305.352 -0.346 20 0 DBADRM CO[C@@H]1CCN(CC(=O)N=[S@@](C)(=O)N(C)C)[C@@H](C(=O)[O-])C1 ZINC001599121538 1017518557 /nfs/dbraw/zinc/51/85/57/1017518557.db2.gz BQRMPTDTSAHSRQ-FDXSBTRWSA-N -1 0 321.399 -0.349 20 0 DBADRM CO[C@H]1CCN(Cc2coc(S(N)(=O)=O)c2)[C@H](C(=O)[O-])C1 ZINC001599125122 1017520098 /nfs/dbraw/zinc/52/00/98/1017520098.db2.gz VVQSEASYAWGNMS-UWVGGRQHSA-N -1 0 318.351 -0.009 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)CCCOC(C)=O)[C@H](C(=O)[O-])C1 ZINC001599123785 1017520866 /nfs/dbraw/zinc/52/08/66/1017520866.db2.gz MRKRHUQVIHVFMZ-MNOVXSKESA-N -1 0 323.367 -0.167 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H](O)Cc2cnn(C)c2)[C@@](C)(C(=O)[O-])C1 ZINC001599131783 1017521097 /nfs/dbraw/zinc/52/10/97/1017521097.db2.gz UWUORGLFOXPAAD-MISXGVKJSA-N -1 0 311.338 -0.586 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CCO1 ZINC001599136882 1017522945 /nfs/dbraw/zinc/52/29/45/1017522945.db2.gz VYDJCNLLGKWQTH-JTQLQIEISA-N -1 0 304.324 -0.283 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001599136944 1017523285 /nfs/dbraw/zinc/52/32/85/1017523285.db2.gz ASWCFPIHGMDHSU-YUSALJHKSA-N -1 0 311.338 -0.037 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001599137317 1017523640 /nfs/dbraw/zinc/52/36/40/1017523640.db2.gz ADTIKAVEITXHQG-RKDXNWHRSA-N -1 0 319.339 -0.468 20 0 DBADRM CO[C@H]1CN(C(=O)Cc2nnc(N)s2)[C@](C)(C(=O)[O-])C1 ZINC001599135203 1017524000 /nfs/dbraw/zinc/52/40/00/1017524000.db2.gz RTNUNQFZQUZKMV-KBUNVGBDSA-N -1 0 300.340 -0.247 20 0 DBADRM CO[C@H]1COCC[C@H]1CNC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001599137126 1017524022 /nfs/dbraw/zinc/52/40/22/1017524022.db2.gz CCLHDLPUPKEYLV-KXNHARMFSA-N -1 0 316.354 -0.079 20 0 DBADRM CO[C@H]1COCC[C@H]1N(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001599137314 1017524131 /nfs/dbraw/zinc/52/41/31/1017524131.db2.gz ADTIKAVEITXHQG-BDAKNGLRSA-N -1 0 319.339 -0.468 20 0 DBADRM COCC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001599140052 1017526991 /nfs/dbraw/zinc/52/69/91/1017526991.db2.gz VIXPNWDMZJRBNZ-ZJUUUORDSA-N -1 0 300.355 -0.046 20 0 DBADRM COCC(=O)NC1(CNc2ncc(C(=O)[O-])cn2)CCOCC1 ZINC001599142875 1017527797 /nfs/dbraw/zinc/52/77/97/1017527797.db2.gz MRGKMECVAOFTRH-UHFFFAOYSA-N -1 0 324.337 -0.102 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001599142339 1017528023 /nfs/dbraw/zinc/52/80/23/1017528023.db2.gz ZUESGFSNDVRPAW-AEJSXWLSSA-N -1 0 320.367 -0.695 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001599141679 1017528201 /nfs/dbraw/zinc/52/82/01/1017528201.db2.gz YGTPLQQMDUKBGB-GMTAPVOTSA-N -1 0 314.338 -0.770 20 0 DBADRM COCC(=O)NC1CCN(Cc2cn(CC(=O)[O-])nn2)CC1 ZINC001599142874 1017528632 /nfs/dbraw/zinc/52/86/32/1017528632.db2.gz MQVCKDDTUQATKM-UHFFFAOYSA-N -1 0 311.342 -0.910 20 0 DBADRM CO[C@@H]1COCC[C@H]1CNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001599141618 1017528822 /nfs/dbraw/zinc/52/88/22/1017528822.db2.gz XOSNSADQZYNDDN-VHSXEESVSA-N -1 0 307.368 -0.035 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccccc1C(=O)[O-] ZINC001599141533 1017529184 /nfs/dbraw/zinc/52/91/84/1017529184.db2.gz WJZNPDDNZLIQAL-WDEREUQCSA-N -1 0 313.331 -0.073 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001599145455 1017530359 /nfs/dbraw/zinc/53/03/59/1017530359.db2.gz AIRJUGIJINWVOL-LKFCYVNXSA-N -1 0 310.354 -0.084 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@]1(F)CCS(=O)(=O)C1 ZINC001599145763 1017530697 /nfs/dbraw/zinc/53/06/97/1017530697.db2.gz IWHNDFSAOUHCRX-GHMZBOCLSA-N -1 0 311.331 -0.491 20 0 DBADRM COC[C@@](C)(NC(=O)CN1CCCCS1(=O)=O)C(=O)[O-] ZINC001599153267 1017531924 /nfs/dbraw/zinc/53/19/24/1017531924.db2.gz LLJJQGONQQSFGR-LLVKDONJSA-N -1 0 308.356 -0.982 20 0 DBADRM COC[C@@](C)(NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001599151889 1017532179 /nfs/dbraw/zinc/53/21/79/1017532179.db2.gz UNTZNHSZTHELRV-LKFCYVNXSA-N -1 0 324.337 -0.621 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(=O)OC ZINC001599155273 1017532612 /nfs/dbraw/zinc/53/26/12/1017532612.db2.gz PPDSLDYOQQOLBO-VDDIYKPWSA-N -1 0 323.367 -0.263 20 0 DBADRM COC[C@@](C)(NC(=O)c1cnc2c(c1)NC(=O)CN2C)C(=O)[O-] ZINC001599152791 1017532481 /nfs/dbraw/zinc/53/24/81/1017532481.db2.gz LEDQWWVSWLWAJM-CQSZACIVSA-N -1 0 322.321 -0.311 20 0 DBADRM COC[C@](C)(NC(=O)CCc1ocnc1C(=O)[O-])C(=O)OC ZINC001599153376 1017533012 /nfs/dbraw/zinc/53/30/12/1017533012.db2.gz UCBGLTVCSHJNBE-ZDUSSCGKSA-N -1 0 314.294 0.000 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)CC1(C(=O)OC)CC1)C(=O)[O-] ZINC001599154988 1017533088 /nfs/dbraw/zinc/53/30/88/1017533088.db2.gz CSHXHFWGKNJHTK-SNVBAGLBSA-N -1 0 309.340 -0.651 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)[C@H]1CC[C@@H](C(=O)OC)C1)C(=O)[O-] ZINC001599155120 1017533255 /nfs/dbraw/zinc/53/32/55/1017533255.db2.gz JMGSQEDBXCLKKL-VDDIYKPWSA-N -1 0 323.367 -0.263 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001599160079 1017534106 /nfs/dbraw/zinc/53/41/06/1017534106.db2.gz PAWIHQYWKOYPJN-GUBZILKMSA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@H]([C@@H]1CCCO1)N1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC001599158310 1017534818 /nfs/dbraw/zinc/53/48/18/1017534818.db2.gz ADUIQIIMBHVNLO-APLZJWDSSA-N -1 0 312.322 -0.179 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001599160686 1017534842 /nfs/dbraw/zinc/53/48/42/1017534842.db2.gz UDPIAQSCOFXJNH-DJLDLDEBSA-N -1 0 309.340 -0.843 20 0 DBADRM COC[C@@](C)(O)CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001599156328 1017535428 /nfs/dbraw/zinc/53/54/28/1017535428.db2.gz HKBPDDYCOLTXGK-NSHDSACASA-N -1 0 321.355 -0.967 20 0 DBADRM COC[C@](C)(O)C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001599156618 1017535876 /nfs/dbraw/zinc/53/58/76/1017535876.db2.gz MSBFUDPDYKWXAN-ZDUSSCGKSA-N -1 0 312.326 -0.463 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001599164505 1017536670 /nfs/dbraw/zinc/53/66/70/1017536670.db2.gz LSLIYWUACBSNDQ-MRVPVSSYSA-N -1 0 319.335 -0.321 20 0 DBADRM COC[C@H](CCO)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001599162592 1017536829 /nfs/dbraw/zinc/53/68/29/1017536829.db2.gz CAEXEZNHZGMNKJ-QMMMGPOBSA-N -1 0 311.294 -0.768 20 0 DBADRM COC[C@H](CCO)NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001599163530 1017537546 /nfs/dbraw/zinc/53/75/46/1017537546.db2.gz MCSNFMNVFRIHKO-NSHDSACASA-N -1 0 317.363 -0.011 20 0 DBADRM COC[C@@H](CCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)OC ZINC001599162839 1017537600 /nfs/dbraw/zinc/53/76/00/1017537600.db2.gz LUMIOFFHSREGCM-YGRLFVJLSA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)OC ZINC001599163793 1017538534 /nfs/dbraw/zinc/53/85/34/1017538534.db2.gz VGIVUYGUCTWZMP-MXWKQRLJSA-N -1 0 316.354 -0.667 20 0 DBADRM COC[C@@H](CCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-])OC ZINC001599162805 1017538550 /nfs/dbraw/zinc/53/85/50/1017538550.db2.gz KSCGTWIKIOASEY-WDEREUQCSA-N -1 0 316.354 -0.380 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1)C(=O)[O-] ZINC001599167571 1017539661 /nfs/dbraw/zinc/53/96/61/1017539661.db2.gz SYCWLHRSUWVPPV-MNOVXSKESA-N -1 0 310.310 -0.563 20 0 DBADRM COC[C@H](OC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C(=O)[O-] ZINC001599180379 1017544021 /nfs/dbraw/zinc/54/40/21/1017544021.db2.gz KSFVIAOWTJDBSG-QEYWKRMJSA-N -1 0 306.336 -0.015 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001599165690 1017540173 /nfs/dbraw/zinc/54/01/73/1017540173.db2.gz ITBUGJYVIBPQPA-QMMMGPOBSA-N -1 0 314.269 -0.414 20 0 DBADRM COC[C@H](CS(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-])OC ZINC001599167292 1017540445 /nfs/dbraw/zinc/54/04/45/1017540445.db2.gz VGAVSTYLOQULEE-RNFRBKRXSA-N -1 0 323.289 -0.027 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(N)=O ZINC001599177727 1017544240 /nfs/dbraw/zinc/54/42/40/1017544240.db2.gz QHKRZADRLUYECQ-ZCFIWIBFSA-N -1 0 308.337 -0.775 20 0 DBADRM COC[C@@H](NC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(=O)[O-] ZINC001599168972 1017541117 /nfs/dbraw/zinc/54/11/17/1017541117.db2.gz MEMUVKHLLZOHED-SECBINFHSA-N -1 0 308.294 -0.911 20 0 DBADRM COC[C@H](NC(=O)N1CC(O)(C(=O)[O-])C1)[C@H]1CCCOC1 ZINC001599170572 1017541359 /nfs/dbraw/zinc/54/13/59/1017541359.db2.gz UUTTYWKWWOIOFG-UWVGGRQHSA-N -1 0 302.327 -0.731 20 0 DBADRM COC[C@@H](N[C@H](C(=O)OC)c1cccc(C(=O)[O-])c1)C(N)=O ZINC001599174309 1017541605 /nfs/dbraw/zinc/54/16/05/1017541605.db2.gz VPIGATWUFVJSRY-MNOVXSKESA-N -1 0 310.306 -0.311 20 0 DBADRM COC[C@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)C(N)=O ZINC001599170872 1017542042 /nfs/dbraw/zinc/54/20/42/1017542042.db2.gz CVKPQDZQWYCYEJ-ZETCQYMHSA-N -1 0 316.339 -0.218 20 0 DBADRM COC[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@@H]1CCCO1 ZINC001599169416 1017542235 /nfs/dbraw/zinc/54/22/35/1017542235.db2.gz LIQAKRGAYDEMIP-DBIOUOCHSA-N -1 0 314.338 -0.724 20 0 DBADRM COC[C@@H](NC(=O)c1nnn(Cc2cc(C)no2)c1C)C(=O)[O-] ZINC001599175250 1017542305 /nfs/dbraw/zinc/54/23/05/1017542305.db2.gz FBAJLGBYIXXJJF-SNVBAGLBSA-N -1 0 323.309 -0.239 20 0 DBADRM COC[C@@H](NC(=O)N1CC(O)(C(=O)[O-])C1)[C@@H]1CCCOC1 ZINC001599170570 1017542362 /nfs/dbraw/zinc/54/23/62/1017542362.db2.gz UUTTYWKWWOIOFG-NXEZZACHSA-N -1 0 302.327 -0.731 20 0 DBADRM COC[C@H](NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1)C(C)C ZINC001599169723 1017542384 /nfs/dbraw/zinc/54/23/84/1017542384.db2.gz NNDAZRKBAPTXDO-MNOVXSKESA-N -1 0 316.354 -0.524 20 0 DBADRM COC[C@@H](NC(=O)c1ccc(CN2CCOCC2)cn1)C(=O)[O-] ZINC001599171944 1017542391 /nfs/dbraw/zinc/54/23/91/1017542391.db2.gz QNCAKNQIXAYDDY-CYBMUJFWSA-N -1 0 323.349 -0.257 20 0 DBADRM COC[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@H]1CCCO1 ZINC001599169418 1017542452 /nfs/dbraw/zinc/54/24/52/1017542452.db2.gz LIQAKRGAYDEMIP-GWOFURMSSA-N -1 0 314.338 -0.724 20 0 DBADRM COC[C@@H](NC(=O)c1ccc2c(c1)N(C)C(=O)CO2)C(=O)[O-] ZINC001599173986 1017542508 /nfs/dbraw/zinc/54/25/08/1017542508.db2.gz HGFMCFBCSHRQPR-SECBINFHSA-N -1 0 308.290 -0.129 20 0 DBADRM COC[C@@H](NC(=O)Cc1c(Br)cnn1C)C(=O)[O-] ZINC001599168659 1017542532 /nfs/dbraw/zinc/54/25/32/1017542532.db2.gz HAHCBKSTYYJLPS-SSDOTTSWSA-N -1 0 320.143 -0.059 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(N)=O ZINC001599178519 1017543653 /nfs/dbraw/zinc/54/36/53/1017543653.db2.gz UGXCOUHBLGJTFR-VIFPVBQESA-N -1 0 302.308 -0.837 20 0 DBADRM COC[C@H](O)CCNS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599178891 1017544194 /nfs/dbraw/zinc/54/41/94/1017544194.db2.gz FCSPIARCDLZFSE-MRVPVSSYSA-N -1 0 307.324 -0.038 20 0 DBADRM COC[C@H](NS(=O)(=O)C1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC001599176265 1017544345 /nfs/dbraw/zinc/54/43/45/1017544345.db2.gz GFIFTWWIDOSIAJ-RTBKNWGFSA-N -1 0 323.367 -0.263 20 0 DBADRM COC[C@@H](NC(=O)c1cnc2cc(C)ccn2c1=O)C(=O)[O-] ZINC001599175362 1017544661 /nfs/dbraw/zinc/54/46/61/1017544661.db2.gz HYMZPPHLQJQWCC-SNVBAGLBSA-N -1 0 305.290 -0.168 20 0 DBADRM COC[C@H](NS(=O)(=O)C1CCC(C(=O)[O-])CC1)C(=O)OC ZINC001599176071 1017544724 /nfs/dbraw/zinc/54/47/24/1017544724.db2.gz BHQVPIPRMIEHRR-RTBKNWGFSA-N -1 0 323.367 -0.263 20 0 DBADRM COC[C@H](NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])C(N)=O ZINC001599176353 1017544947 /nfs/dbraw/zinc/54/49/47/1017544947.db2.gz JNXKKTWCTFTTMS-CIUDSAMLSA-N -1 0 308.356 -0.951 20 0 DBADRM COC[C@H](OC)C(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001599181011 1017546305 /nfs/dbraw/zinc/54/63/05/1017546305.db2.gz FROHRLKYCOJMCP-UWVGGRQHSA-N -1 0 324.337 -0.469 20 0 DBADRM COC[C@H](OC)C(=O)NCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001599182233 1017546329 /nfs/dbraw/zinc/54/63/29/1017546329.db2.gz MZRRXSTWGZKWHB-VIFPVBQESA-N -1 0 312.326 -0.611 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CN1CCC(=O)NC1=O ZINC001599190037 1017549031 /nfs/dbraw/zinc/54/90/31/1017549031.db2.gz KDLCCRXGLRRKCC-CYBMUJFWSA-N -1 0 313.310 -0.980 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@H](C)CS(C)(=O)=O ZINC001599189620 1017549262 /nfs/dbraw/zinc/54/92/62/1017549262.db2.gz HBFHLSWUALNYTL-SKDRFNHKSA-N -1 0 307.368 -0.241 20 0 DBADRM COCC1(Cn2nnnc2N2CCO[C@H](C(=O)[O-])C2)CCC1 ZINC001599199988 1017550669 /nfs/dbraw/zinc/55/06/69/1017550669.db2.gz DLQYTPYAEJMFEN-JTQLQIEISA-N -1 0 311.342 -0.220 20 0 DBADRM COCC1(CS(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])CCC1 ZINC001599200939 1017550730 /nfs/dbraw/zinc/55/07/30/1017550730.db2.gz LLSQPWCGGWPFDV-ZJUUUORDSA-N -1 0 307.368 -0.035 20 0 DBADRM COCC1(C2CC2)CN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC001599197315 1017551218 /nfs/dbraw/zinc/55/12/18/1017551218.db2.gz QCBFTYRYANGTJO-UHFFFAOYSA-N -1 0 306.384 -0.004 20 0 DBADRM COC[C@]1(CO)CCN(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])C1 ZINC001599201502 1017551233 /nfs/dbraw/zinc/55/12/33/1017551233.db2.gz VEWSBTKNJGJPET-COPLHBTASA-N -1 0 316.354 -0.484 20 0 DBADRM COC[C@H]1CCCN1C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599203533 1017551585 /nfs/dbraw/zinc/55/15/85/1017551585.db2.gz ICTLBEODOLQCMP-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])CCO1 ZINC001599206149 1017552653 /nfs/dbraw/zinc/55/26/53/1017552653.db2.gz BAZHQQDFJKGQIN-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM COC[C@H]1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001599205234 1017553320 /nfs/dbraw/zinc/55/33/20/1017553320.db2.gz FCGPLIZMGPWHTD-GUBZILKMSA-N -1 0 301.343 -0.358 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C[C@H](C)O1 ZINC001599204765 1017553450 /nfs/dbraw/zinc/55/34/50/1017553450.db2.gz CLSHQAVNKATPJO-JGVFFNPUSA-N -1 0 319.339 -0.468 20 0 DBADRM COC[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])C1 ZINC001599205897 1017553500 /nfs/dbraw/zinc/55/35/00/1017553500.db2.gz ZKPTYZBRHXZRDH-DCAQKATOSA-N -1 0 314.338 -0.913 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CCO1 ZINC001599205904 1017553559 /nfs/dbraw/zinc/55/35/59/1017553559.db2.gz UAZPSINSCAYHTJ-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM COC[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001599205384 1017553668 /nfs/dbraw/zinc/55/36/68/1017553668.db2.gz JVTMMXCXIJOROQ-VWYCJHECSA-N -1 0 314.338 -0.818 20 0 DBADRM COCC[C@@H](NC(=O)CN1CCCCC(=O)C1=O)C(=O)[O-] ZINC001599215557 1017557737 /nfs/dbraw/zinc/55/77/37/1017557737.db2.gz XANBRWUEAFGMFG-SECBINFHSA-N -1 0 300.311 -0.826 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)CCO1 ZINC001599207369 1017554034 /nfs/dbraw/zinc/55/40/34/1017554034.db2.gz VCUBPTAAFDIBKR-VIFPVBQESA-N -1 0 323.305 -0.408 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001599206495 1017554052 /nfs/dbraw/zinc/55/40/52/1017554052.db2.gz NCDXVFBRHRJQMQ-AXFHLTTASA-N -1 0 314.338 -0.818 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])CCO1 ZINC001599206146 1017554066 /nfs/dbraw/zinc/55/40/66/1017554066.db2.gz BAZHQQDFJKGQIN-GHMZBOCLSA-N -1 0 314.338 -0.674 20 0 DBADRM COC[C@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])CCO1 ZINC001599205796 1017554230 /nfs/dbraw/zinc/55/42/30/1017554230.db2.gz RGCJLBVMEQCBEU-SNVBAGLBSA-N -1 0 317.342 -0.976 20 0 DBADRM COC[C@@H]1COCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001599207338 1017554279 /nfs/dbraw/zinc/55/42/79/1017554279.db2.gz KIGSOXMWWRSHCB-SSDOTTSWSA-N -1 0 322.364 -0.123 20 0 DBADRM COCC[C@@H](C)NC(=O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001599210817 1017554803 /nfs/dbraw/zinc/55/48/03/1017554803.db2.gz ZFLLAEHKGKVZAP-ZJUUUORDSA-N -1 0 318.395 -0.196 20 0 DBADRM COCC[C@@H](NC(=O)CCC(=O)N1CCOCC1)C(=O)[O-] ZINC001599214863 1017555117 /nfs/dbraw/zinc/55/51/17/1017555117.db2.gz MHMFXVJVSVERKU-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM COCC[C@@H](NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)C(=O)[O-] ZINC001599214243 1017555669 /nfs/dbraw/zinc/55/56/69/1017555669.db2.gz BXKVAUVDNRNTSI-KOLCDFICSA-N -1 0 310.310 -0.481 20 0 DBADRM COCC[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OC ZINC001599219005 1017557626 /nfs/dbraw/zinc/55/76/26/1017557626.db2.gz MNFODBRNTFSQCS-MRVPVSSYSA-N -1 0 311.356 -0.405 20 0 DBADRM COCC[C@H](NC(=O)c1cnn(C)c1-n1cnnc1)C(=O)[O-] ZINC001599217300 1017557824 /nfs/dbraw/zinc/55/78/24/1017557824.db2.gz DUDXAHMJZJYGSP-VIFPVBQESA-N -1 0 308.298 -0.780 20 0 DBADRM COCCC1(Cn2nnnc2N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC001599220267 1017558278 /nfs/dbraw/zinc/55/82/78/1017558278.db2.gz WTBXAHIECLAKGK-SNVBAGLBSA-N -1 0 311.342 -0.220 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(N)=O ZINC001599216789 1017558686 /nfs/dbraw/zinc/55/86/86/1017558686.db2.gz NCMYUHJLISEZBD-RXMQYKEDSA-N -1 0 323.352 -0.990 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)C(N)=O ZINC001599218571 1017558726 /nfs/dbraw/zinc/55/87/26/1017558726.db2.gz IXBRIDCINBOKER-LURJTMIESA-N -1 0 322.364 -0.385 20 0 DBADRM COCC[C@@H](NC(=O)c1coc(CS(C)(=O)=O)n1)C(=O)[O-] ZINC001599218420 1017558838 /nfs/dbraw/zinc/55/88/38/1017558838.db2.gz QLBZMKDMCOCMNS-SSDOTTSWSA-N -1 0 320.323 -0.561 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H](C)/C=C/C(=O)[O-] ZINC001599229535 1017561426 /nfs/dbraw/zinc/56/14/26/1017561426.db2.gz GQYPNMDTIHRCLB-MOVJSRMASA-N -1 0 308.356 -0.912 20 0 DBADRM COCCCS(=O)(=O)NCCN1CCOC[C@H]1CC(=O)[O-] ZINC001599230398 1017562450 /nfs/dbraw/zinc/56/24/50/1017562450.db2.gz SBNMIMOLBOFWNA-LLVKDONJSA-N -1 0 324.399 -0.882 20 0 DBADRM COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)CC(=O)[O-])C1 ZINC001599232154 1017562548 /nfs/dbraw/zinc/56/25/48/1017562548.db2.gz KZNLUGAZVRCKIS-SNVBAGLBSA-N -1 0 322.383 -0.640 20 0 DBADRM COCCCS(=O)(=O)NCCN1CCOC[C@@H]1CC(=O)[O-] ZINC001599230399 1017564543 /nfs/dbraw/zinc/56/45/43/1017564543.db2.gz SBNMIMOLBOFWNA-NSHDSACASA-N -1 0 324.399 -0.882 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001599235453 1017566385 /nfs/dbraw/zinc/56/63/85/1017566385.db2.gz QKOYINQCRMSLLO-SNVBAGLBSA-N -1 0 311.342 -0.425 20 0 DBADRM COCCNC(=O)CNC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001599243147 1017569301 /nfs/dbraw/zinc/56/93/01/1017569301.db2.gz YKTOYNDSPAPQHR-UHFFFAOYSA-N -1 0 312.326 -0.760 20 0 DBADRM COCCO[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001599250135 1017571029 /nfs/dbraw/zinc/57/10/29/1017571029.db2.gz SCWLTICKKZBXFD-QMMMGPOBSA-N -1 0 319.339 -0.466 20 0 DBADRM COCCOC[C@H](C)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001599249497 1017571315 /nfs/dbraw/zinc/57/13/15/1017571315.db2.gz LKMDVVRGNCLLAA-GARJFASQSA-N -1 0 316.354 -0.524 20 0 DBADRM COCCOCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001599246706 1017571328 /nfs/dbraw/zinc/57/13/28/1017571328.db2.gz FHSIQGFFUCUTKD-GWOFURMSSA-N -1 0 314.338 -0.867 20 0 DBADRM COCCOCC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001599248436 1017571453 /nfs/dbraw/zinc/57/14/53/1017571453.db2.gz YCSBEEMUMBOMLE-JTQLQIEISA-N -1 0 324.337 -0.728 20 0 DBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C(=O)[O-])on1 ZINC001599248131 1017571751 /nfs/dbraw/zinc/57/17/51/1017571751.db2.gz RCTUWBVHAWFIIA-LDYMZIIASA-N -1 0 314.294 -0.077 20 0 DBADRM COCCO[C@H]1CCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC001599248492 1017571987 /nfs/dbraw/zinc/57/19/87/1017571987.db2.gz BAZIUPNSALEGIK-JTQLQIEISA-N -1 0 310.372 -0.625 20 0 DBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001599247535 1017572000 /nfs/dbraw/zinc/57/20/00/1017572000.db2.gz OQXKQSVTSRCWTQ-QNWHQSFQSA-N -1 0 315.366 -0.030 20 0 DBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599246901 1017572048 /nfs/dbraw/zinc/57/20/48/1017572048.db2.gz KUJPRUADOASJKR-WHOHXGKFSA-N -1 0 301.339 -0.421 20 0 DBADRM COCCOCC(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001599246714 1017572141 /nfs/dbraw/zinc/57/21/41/1017572141.db2.gz FKNMETTWUXBIAF-JTQLQIEISA-N -1 0 324.337 -0.467 20 0 DBADRM COCCOCC(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001599248114 1017572290 /nfs/dbraw/zinc/57/22/90/1017572290.db2.gz QMHTZIRSULZALT-MGCOHNPYSA-N -1 0 324.337 -0.681 20 0 DBADRM COCCOCCN1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599250687 1017573494 /nfs/dbraw/zinc/57/34/94/1017573494.db2.gz QPYAZPHMLJIBGA-NEPJUHHUSA-N -1 0 300.355 -0.487 20 0 DBADRM COCCOCCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001599250950 1017573737 /nfs/dbraw/zinc/57/37/37/1017573737.db2.gz KJBWYBXTQAKJRO-MNOVXSKESA-N -1 0 317.338 -0.096 20 0 DBADRM COCCOCCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001599250731 1017573892 /nfs/dbraw/zinc/57/38/92/1017573892.db2.gz SWWLSCBPGMLBRF-CQSZACIVSA-N -1 0 316.354 -0.521 20 0 DBADRM COCCOCCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001599250709 1017573937 /nfs/dbraw/zinc/57/39/37/1017573937.db2.gz RIAASJGTIZSRJW-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCOCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001599250951 1017574892 /nfs/dbraw/zinc/57/48/92/1017574892.db2.gz KJBWYBXTQAKJRO-QWRGUYRKSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCn1c(C[C@H](C)O)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001599268062 1017575725 /nfs/dbraw/zinc/57/57/25/1017575725.db2.gz LGTFQUYNMSMJQR-UWVGGRQHSA-N -1 0 314.342 -0.862 20 0 DBADRM COCCn1cc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)ccc1=O ZINC001599270106 1017576696 /nfs/dbraw/zinc/57/66/96/1017576696.db2.gz URQGRHSBBQVUSM-VXGBXAGGSA-N -1 0 324.333 -0.598 20 0 DBADRM COCCn1c(N2CC[C@@](F)(C(=O)[O-])C2)nnc1C1(O)CC1 ZINC001599267815 1017577017 /nfs/dbraw/zinc/57/70/17/1017577017.db2.gz IQQFDGRKSDKTMN-LBPRGKRZSA-N -1 0 314.317 -0.091 20 0 DBADRM COCCn1cc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])ccc1=O ZINC001599272530 1017577858 /nfs/dbraw/zinc/57/78/58/1017577858.db2.gz RQBUMIJGCZKTRT-GHMZBOCLSA-N -1 0 310.306 -0.845 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@@H](C)/C=C\C(=O)[O-])cn1 ZINC001599272754 1017578429 /nfs/dbraw/zinc/57/84/29/1017578429.db2.gz DPAYOSMNNBXWKI-TYRPZCRBSA-N -1 0 303.340 -0.163 20 0 DBADRM COCCn1cc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])cn1 ZINC001599271813 1017578504 /nfs/dbraw/zinc/57/85/04/1017578504.db2.gz LPVOWTLDIYHNBB-NSHDSACASA-N -1 0 307.310 -0.391 20 0 DBADRM COC[C@@H](O)CNC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001599276442 1017578786 /nfs/dbraw/zinc/57/87/86/1017578786.db2.gz WUPDMNIFGZGRCH-DTWKUNHWSA-N -1 0 312.326 -0.277 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)NC[C@H]1C[C@H]1C(=O)[O-])C2 ZINC001599273490 1017578913 /nfs/dbraw/zinc/57/89/13/1017578913.db2.gz RYHTVGMRCREWRV-NXEZZACHSA-N -1 0 323.353 -0.287 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)COCc1ocnc1C(=O)[O-] ZINC001599276116 1017578987 /nfs/dbraw/zinc/57/89/87/1017578987.db2.gz MPFDJLDOZUTRHR-DTWKUNHWSA-N -1 0 314.294 -0.502 20 0 DBADRM COCCn1cc(C(=O)NCc2ccc(C(=O)[O-])nc2)nn1 ZINC001599272334 1017579542 /nfs/dbraw/zinc/57/95/42/1017579542.db2.gz ZAUDHRYQTCRYDC-UHFFFAOYSA-N -1 0 305.294 -0.052 20 0 DBADRM COCCn1nc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])ccc1=O ZINC001599274337 1017579643 /nfs/dbraw/zinc/57/96/43/1017579643.db2.gz VFIDJTUSUPNOAN-BMIGLBTASA-N -1 0 321.333 -0.031 20 0 DBADRM COCc1cc(NC(=O)C(=O)NC[C@@H](C)O)cc(C(=O)[O-])c1 ZINC001599284762 1017580610 /nfs/dbraw/zinc/58/06/10/1017580610.db2.gz OGFHLSNDVGJFKQ-MRVPVSSYSA-N -1 0 310.306 -0.033 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001599277587 1017581507 /nfs/dbraw/zinc/58/15/07/1017581507.db2.gz ZLWSRMQNDPLOSH-DTWKUNHWSA-N -1 0 316.335 -0.450 20 0 DBADRM COCc1cccc(CNC(=O)CN2C[C@@H](O)C[C@@H]2C(=O)[O-])c1 ZINC001599295843 1017581814 /nfs/dbraw/zinc/58/18/14/1017581814.db2.gz NJULQLMDSFTLIT-UONOGXRCSA-N -1 0 322.361 -0.031 20 0 DBADRM COCc1cncc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC001599298904 1017582305 /nfs/dbraw/zinc/58/23/05/1017582305.db2.gz XZHRWCOREFNONF-VXGBXAGGSA-N -1 0 321.333 -0.205 20 0 DBADRM COCc1nsc(N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)n1 ZINC001599306694 1017583075 /nfs/dbraw/zinc/58/30/75/1017583075.db2.gz FZGHQQBIWSFCGH-RNFRBKRXSA-N -1 0 301.324 -0.006 20 0 DBADRM COCc1nn(C)cc1C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001599305789 1017583250 /nfs/dbraw/zinc/58/32/50/1017583250.db2.gz QHPZCBYRYLAPHD-SNVBAGLBSA-N -1 0 307.310 -0.285 20 0 DBADRM COCc1nn(C)cc1C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599305950 1017583727 /nfs/dbraw/zinc/58/37/27/1017583727.db2.gz VPOVRSAPGLLQQK-LBPRGKRZSA-N -1 0 311.338 -0.136 20 0 DBADRM COCn1nccc1S(=O)(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001599308249 1017584448 /nfs/dbraw/zinc/58/44/48/1017584448.db2.gz KJLDDDTUCVIJEK-NSHDSACASA-N -1 0 319.339 -0.649 20 0 DBADRM COCc1n[nH]c(CNC(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)n1 ZINC001599306565 1017584601 /nfs/dbraw/zinc/58/46/01/1017584601.db2.gz YOPMBWVXXWGBMI-HTQZYQBOSA-N -1 0 313.314 -0.665 20 0 DBADRM CON(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001599315253 1017585497 /nfs/dbraw/zinc/58/54/97/1017585497.db2.gz RDUYMUAGZFJQCK-LURJTMIESA-N -1 0 306.296 -0.336 20 0 DBADRM CON1CCC(NC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1 ZINC001599318331 1017585859 /nfs/dbraw/zinc/58/58/59/1017585859.db2.gz JINQUMKOXMTQNU-KOLCDFICSA-N -1 0 301.343 -0.104 20 0 DBADRM CON(C(=O)CCSc1nnnn1C)[C@@H](C)CC(=O)[O-] ZINC001599309795 1017586014 /nfs/dbraw/zinc/58/60/14/1017586014.db2.gz LGQFYTLAZUBJTO-ZETCQYMHSA-N -1 0 303.344 -0.055 20 0 DBADRM CON(C)C(=O)[C@H](C)N1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001599315085 1017586225 /nfs/dbraw/zinc/58/62/25/1017586225.db2.gz MFORRPNEVLHRCK-XHNCKOQMSA-N -1 0 313.310 -0.478 20 0 DBADRM CON1CCC(CC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])CC1 ZINC001599318923 1017586419 /nfs/dbraw/zinc/58/64/19/1017586419.db2.gz WIEUBUDQNVWVPX-LLVKDONJSA-N -1 0 313.354 -0.596 20 0 DBADRM CON(C)C(=O)Cn1cc(CN2CCCC[C@H]2C(=O)[O-])nn1 ZINC001599314430 1017586603 /nfs/dbraw/zinc/58/66/03/1017586603.db2.gz DHVSDMRMVKFCLT-NSHDSACASA-N -1 0 311.342 -0.263 20 0 DBADRM CON(C(=O)C[C@@]1(C)CCS(=O)(=O)N1)[C@@H](C)CC(=O)[O-] ZINC001599312956 1017586612 /nfs/dbraw/zinc/58/66/12/1017586612.db2.gz UWCQRZDGHKHLJB-GZMMTYOYSA-N -1 0 308.356 -0.289 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001599315402 1017586796 /nfs/dbraw/zinc/58/67/96/1017586796.db2.gz SNIZCUJHZYKTRG-UHFFFAOYSA-N -1 0 316.335 -0.388 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2C(=O)[O-])C[C@H]1O ZINC001599322436 1017588458 /nfs/dbraw/zinc/58/84/58/1017588458.db2.gz NCZODJISXIBVBS-VXGBXAGGSA-N -1 0 322.317 -0.150 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599321636 1017588852 /nfs/dbraw/zinc/58/88/52/1017588852.db2.gz BFNANQTXVTWDAF-OPQQBVKSSA-N -1 0 313.310 -0.585 20 0 DBADRM CO[C@@H]1CN([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C[C@H]1O ZINC001599323130 1017588905 /nfs/dbraw/zinc/58/89/05/1017588905.db2.gz ATTHVOJGUVSBQL-MVWJERBFSA-N -1 0 300.355 -0.610 20 0 DBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001599323833 1017588982 /nfs/dbraw/zinc/58/89/82/1017588982.db2.gz FMJHLDFYUCZSCK-NXEZZACHSA-N -1 0 302.308 -0.528 20 0 DBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001599322806 1017589092 /nfs/dbraw/zinc/58/90/92/1017589092.db2.gz VKUUBYCKHYDERJ-WCBMZHEXSA-N -1 0 304.324 -0.585 20 0 DBADRM CO[C@H](C)CNC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001599323679 1017589120 /nfs/dbraw/zinc/58/91/20/1017589120.db2.gz HZHPEAQRNVTMGI-GHMZBOCLSA-N -1 0 315.370 -0.855 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001599322045 1017589568 /nfs/dbraw/zinc/58/95/68/1017589568.db2.gz FIAIPJPCALPONZ-NXEZZACHSA-N -1 0 313.314 -0.921 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599322408 1017589599 /nfs/dbraw/zinc/58/95/99/1017589599.db2.gz MJJRHBAXOPGVIH-ZDCRXTMVSA-N -1 0 302.327 -0.326 20 0 DBADRM CO[C@@H]1CCN(C(=O)C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)C1 ZINC001599321572 1017589803 /nfs/dbraw/zinc/58/98/03/1017589803.db2.gz VOGAGVPYLBNCDV-SNVBAGLBSA-N -1 0 324.337 -0.111 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3oncc3C(=O)[O-])C[C@H]21 ZINC001599324681 1017591509 /nfs/dbraw/zinc/59/15/09/1017591509.db2.gz SSAZQFCYKSCOTQ-GDPRMGEGSA-N -1 0 316.335 -0.383 20 0 DBADRM COc1c(C(=O)[O-])ncnc1N(C)CC(=O)N1CCOCC1 ZINC001599330258 1017591644 /nfs/dbraw/zinc/59/16/44/1017591644.db2.gz SPJIEOYHLKQBHH-UHFFFAOYSA-N -1 0 310.310 -0.522 20 0 DBADRM CO[C@H](C)CNC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001599325146 1017591947 /nfs/dbraw/zinc/59/19/47/1017591947.db2.gz IEFJUAAXMQOSKC-RISCZKNCSA-N -1 0 315.370 -0.408 20 0 DBADRM COc1c2cnn(C)c2ncc1C(=O)NCCOCC(=O)[O-] ZINC001599329416 1017592392 /nfs/dbraw/zinc/59/23/92/1017592392.db2.gz YTRNXTKVEQMKLT-UHFFFAOYSA-N -1 0 308.294 -0.192 20 0 DBADRM CO[C@@H]1C[C@H]1C(=O)N1[C@@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-] ZINC001599324556 1017592800 /nfs/dbraw/zinc/59/28/00/1017592800.db2.gz KPSZOEGSBDRNGP-ZYUZMQFOSA-N -1 0 316.379 -0.098 20 0 DBADRM COc1c[nH]c(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1=O ZINC001599345938 1017593719 /nfs/dbraw/zinc/59/37/19/1017593719.db2.gz VAAMJKSWWIBLNS-RKDXNWHRSA-N -1 0 310.306 -0.149 20 0 DBADRM COc1cc(C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)on1 ZINC001599350203 1017594246 /nfs/dbraw/zinc/59/42/46/1017594246.db2.gz ZRZGTCSABOBPMW-UHFFFAOYSA-N -1 0 321.293 -0.223 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001599373780 1017594301 /nfs/dbraw/zinc/59/43/01/1017594301.db2.gz FSTQWAHGVRTNNI-QMMMGPOBSA-N -1 0 307.262 -0.070 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NCCC(N)=O ZINC001599369159 1017594724 /nfs/dbraw/zinc/59/47/24/1017594724.db2.gz WLRNXALYHGQBGA-UHFFFAOYSA-N -1 0 309.278 -0.677 20 0 DBADRM COc1c(NC(=O)NN2CC(=O)NC2=O)cccc1C(=O)[O-] ZINC001599339183 1017595134 /nfs/dbraw/zinc/59/51/34/1017595134.db2.gz JSVQBEVAOJMZFY-UHFFFAOYSA-N -1 0 308.250 -0.018 20 0 DBADRM COc1cc(NC(=O)C(=O)NCCSCC(=O)[O-])ccn1 ZINC001599429069 1017596677 /nfs/dbraw/zinc/59/66/77/1017596677.db2.gz HKMLLLUBELCCNN-UHFFFAOYSA-N -1 0 313.335 -0.037 20 0 DBADRM CS(=O)(=O)C1(C(=O)NC[C@]2(C(=O)[O-])CCOC2)CCC1 ZINC001599743148 1017615788 /nfs/dbraw/zinc/61/57/88/1017615788.db2.gz CWUQKKVLAXARDH-LLVKDONJSA-N -1 0 305.352 -0.439 20 0 DBADRM COc1cc(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])ccn1 ZINC001599401011 1017597510 /nfs/dbraw/zinc/59/75/10/1017597510.db2.gz PDYOMEUGACZUCY-JTQLQIEISA-N -1 0 307.306 -0.566 20 0 DBADRM COc1cc(CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])ccn1 ZINC001599401012 1017597914 /nfs/dbraw/zinc/59/79/14/1017597914.db2.gz PDYOMEUGACZUCY-SNVBAGLBSA-N -1 0 307.306 -0.566 20 0 DBADRM COc1cc(CO)ccc1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001599417474 1017598023 /nfs/dbraw/zinc/59/80/23/1017598023.db2.gz AVQZXTYUPONYJW-NSHDSACASA-N -1 0 322.317 -0.445 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)ncn1 ZINC001599429920 1017598038 /nfs/dbraw/zinc/59/80/38/1017598038.db2.gz XKWHCHYWHNIWEU-GFCCVEGCSA-N -1 0 312.257 -0.551 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N[C@H](C)CC(N)=O)c1 ZINC001599487521 1017599425 /nfs/dbraw/zinc/59/94/25/1017599425.db2.gz OCACOAIFAZVMAS-SSDOTTSWSA-N -1 0 323.305 -0.288 20 0 DBADRM COc1ccc(-n2cc(C(=O)NC[C@H](O)C(=O)[O-])nn2)cc1 ZINC001599474259 1017599433 /nfs/dbraw/zinc/59/94/33/1017599433.db2.gz ZYLJJNLQRCIMIH-NSHDSACASA-N -1 0 306.278 -0.549 20 0 DBADRM COc1cc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)ccc1C(=O)[O-] ZINC001599459513 1017599873 /nfs/dbraw/zinc/59/98/73/1017599873.db2.gz CPLXXUMBASMQOM-ZJUUUORDSA-N -1 0 317.319 -0.569 20 0 DBADRM COc1cc(NC(=O)c2cn(CC(N)=O)nn2)ccc1C(=O)[O-] ZINC001599442988 1017600338 /nfs/dbraw/zinc/60/03/38/1017600338.db2.gz RHINWUNVJABDCR-UHFFFAOYSA-N -1 0 319.277 -0.278 20 0 DBADRM COc1ccc([C@@H](NC(=O)CCNC(N)=O)C(=O)[O-])cc1O ZINC001599515402 1017600518 /nfs/dbraw/zinc/60/05/18/1017600518.db2.gz FZYZEKSYVIDWLV-LLVKDONJSA-N -1 0 311.294 -0.299 20 0 DBADRM COc1ccc(CCNC(=O)N2CC(O)(C(=O)[O-])C2)cc1O ZINC001599554439 1017601908 /nfs/dbraw/zinc/60/19/08/1017601908.db2.gz JOQIUTYESRIZCV-UHFFFAOYSA-N -1 0 310.306 -0.216 20 0 DBADRM COc1ccc([C@H](NC(=O)[C@@H]2COC(=O)N2)C(=O)[O-])cc1O ZINC001599522100 1017602650 /nfs/dbraw/zinc/60/26/50/1017602650.db2.gz KLFDXGNFEIRZOG-XVKPBYJWSA-N -1 0 310.262 -0.249 20 0 DBADRM COc1ccc(C=O)c(OCC(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001599543630 1017602682 /nfs/dbraw/zinc/60/26/82/1017602682.db2.gz KCCPAKRGEPTDDF-UHFFFAOYSA-N -1 0 324.289 -0.797 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cn1 ZINC001599562504 1017602983 /nfs/dbraw/zinc/60/29/83/1017602983.db2.gz NPALPWRXZBPEFH-MGCOHNPYSA-N -1 0 307.306 -0.314 20 0 DBADRM COc1ccc(NC(=O)C(=O)NC/C=C\CO)c(C(=O)[O-])c1 ZINC001599588010 1017603044 /nfs/dbraw/zinc/60/30/44/1017603044.db2.gz NZKZTUCHZBKWPP-IHWYPQMZSA-N -1 0 308.290 -0.003 20 0 DBADRM COc1ccc(F)cc1NC(=O)C(=O)NCCOCC(=O)[O-] ZINC001599584897 1017603619 /nfs/dbraw/zinc/60/36/19/1017603619.db2.gz XGFITQLPEFTUAI-UHFFFAOYSA-N -1 0 314.269 -0.010 20 0 DBADRM COc1ccc(CN2CC[C@@H]2C(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001599560429 1017603757 /nfs/dbraw/zinc/60/37/57/1017603757.db2.gz JKFBNMNJWAMRKB-CYBMUJFWSA-N -1 0 320.345 -0.073 20 0 DBADRM CS(=O)(=O)CCN(CN1C[C@@H](C(=O)[O-])OC1=O)C1CC1 ZINC001599751191 1017619846 /nfs/dbraw/zinc/61/98/46/1017619846.db2.gz BDLGCXHQZGCRMZ-VIFPVBQESA-N -1 0 306.340 -0.642 20 0 DBADRM COc1ccc(NC(=O)Cn2ncn(C)c2=O)c(C(=O)[O-])c1 ZINC001599591451 1017605192 /nfs/dbraw/zinc/60/51/92/1017605192.db2.gz AFIOMGRXPJKNHD-UHFFFAOYSA-N -1 0 306.278 -0.073 20 0 DBADRM COc1cccc(C2=NO[C@@H](C(=O)NC[C@H](O)C(=O)[O-])C2)c1 ZINC001599667200 1017605553 /nfs/dbraw/zinc/60/55/53/1017605553.db2.gz MVARWHIZSNGHKL-NWDGAFQWSA-N -1 0 308.290 -0.250 20 0 DBADRM COc1ccc2c(c1)ncc(C(=O)N[C@@H](CO)C(=O)[O-])c2O ZINC001599626740 1017606090 /nfs/dbraw/zinc/60/60/90/1017606090.db2.gz VXKXKNCMPQHPCV-NSHDSACASA-N -1 0 306.274 -0.288 20 0 DBADRM COc1ccc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)cn1 ZINC001599611176 1017606756 /nfs/dbraw/zinc/60/67/56/1017606756.db2.gz WCSZSDPFQKFOLH-UHFFFAOYSA-N -1 0 315.351 -0.519 20 0 DBADRM COc1cccc(CN(C)C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001599674355 1017607753 /nfs/dbraw/zinc/60/77/53/1017607753.db2.gz SADGXDJDNKHPEK-UHFFFAOYSA-N -1 0 322.317 -0.689 20 0 DBADRM COc1cccc(C[C@H](O)C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC001599672256 1017607989 /nfs/dbraw/zinc/60/79/89/1017607989.db2.gz SDHAAVOMYXWCFQ-NSHDSACASA-N -1 0 311.290 -0.657 20 0 DBADRM COc1cccc(COCC(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001599675345 1017608471 /nfs/dbraw/zinc/60/84/71/1017608471.db2.gz SZSYTTXPHRDMNA-UHFFFAOYSA-N -1 0 310.306 -0.471 20 0 DBADRM COc1ccccc1CN(C)C(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001599709644 1017609383 /nfs/dbraw/zinc/60/93/83/1017609383.db2.gz YYOQGEIFLOHBAY-UHFFFAOYSA-N -1 0 322.317 -0.689 20 0 DBADRM COc1cccc(C[C@@H](O)C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC001599672253 1017609480 /nfs/dbraw/zinc/60/94/80/1017609480.db2.gz SDHAAVOMYXWCFQ-LLVKDONJSA-N -1 0 311.290 -0.657 20 0 DBADRM COc1cnc(N(C)S(=O)(=O)c2n[nH]cc2C(=O)[O-])nc1 ZINC001599724686 1017610426 /nfs/dbraw/zinc/61/04/26/1017610426.db2.gz NAHALIUSDFOIOO-UHFFFAOYSA-N -1 0 313.295 -0.268 20 0 DBADRM COc1cnc(C(=O)NCCn2cc(C(=O)[O-])nn2)c(F)c1 ZINC001599723032 1017611014 /nfs/dbraw/zinc/61/10/14/1017611014.db2.gz FSKISZRGUZMKMK-UHFFFAOYSA-N -1 0 309.257 -0.051 20 0 DBADRM COc1cncc(NC(=O)C(=O)N[C@@H](CC(=O)[O-])C2CC2)n1 ZINC001599727377 1017611353 /nfs/dbraw/zinc/61/13/53/1017611353.db2.gz YDQUWOUWQNZMCH-QMMMGPOBSA-N -1 0 308.294 -0.207 20 0 DBADRM COc1cncc(C(=O)NCCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC001599726920 1017611927 /nfs/dbraw/zinc/61/19/27/1017611927.db2.gz YOJQHRFAOGSPOW-DTWKUNHWSA-N -1 0 322.321 -0.558 20 0 DBADRM COc1nccc(NC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001599736324 1017613456 /nfs/dbraw/zinc/61/34/56/1017613456.db2.gz ZJORKETWYWUZLP-OCAPTIKFSA-N -1 0 308.294 -0.255 20 0 DBADRM COc1nnccc1NC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001599738121 1017613508 /nfs/dbraw/zinc/61/35/08/1017613508.db2.gz HZJZHTOIJWXFIP-SECBINFHSA-N -1 0 323.309 -0.318 20 0 DBADRM COc1nc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)co1 ZINC001599730437 1017613923 /nfs/dbraw/zinc/61/39/23/1017613923.db2.gz NLIDAFCAJPBNQY-SFYZADRCSA-N -1 0 309.278 -0.656 20 0 DBADRM COc1cccnc1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001599731835 1017614098 /nfs/dbraw/zinc/61/40/98/1017614098.db2.gz ILDRSCRKPHFIBO-NXEZZACHSA-N -1 0 319.317 -0.249 20 0 DBADRM COc1ncncc1CN(CCN1CCOCC1)CC(=O)[O-] ZINC001599738924 1017615169 /nfs/dbraw/zinc/61/51/69/1017615169.db2.gz POCCZZNGDVULGY-UHFFFAOYSA-N -1 0 310.354 -0.296 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001599739359 1017615296 /nfs/dbraw/zinc/61/52/96/1017615296.db2.gz JZVYLMMRXONJOO-UHFFFAOYSA-N -1 0 322.281 -0.562 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001599739965 1017615637 /nfs/dbraw/zinc/61/56/37/1017615637.db2.gz UVTDTYRNCKXYFZ-CYBMUJFWSA-N -1 0 310.310 -0.310 20 0 DBADRM C[S@](=N)(=O)N1CCN(C(=S)NCCCC(=O)[O-])CC1 ZINC001599744240 1017616093 /nfs/dbraw/zinc/61/60/93/1017616093.db2.gz ZCUGQILUSQRXCY-LJQANCHMSA-N -1 0 308.429 -0.065 20 0 DBADRM CSC[C@@H](C)NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599792677 1017634262 /nfs/dbraw/zinc/63/42/62/1017634262.db2.gz MSEWKRWATGDSEO-HLTSFMKQSA-N -1 0 304.368 -0.445 20 0 DBADRM CS(=O)(=O)C1(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CC1 ZINC001599743895 1017616166 /nfs/dbraw/zinc/61/61/66/1017616166.db2.gz LROREZHRVLALOK-QMMMGPOBSA-N -1 0 301.324 -0.901 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CC1 ZINC001599744198 1017616410 /nfs/dbraw/zinc/61/64/10/1017616410.db2.gz QIKARZSQRFSSOJ-SECBINFHSA-N -1 0 305.352 -0.752 20 0 DBADRM CS(=O)(=O)C1(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)CCC1 ZINC001599742985 1017616777 /nfs/dbraw/zinc/61/67/77/1017616777.db2.gz BHCXJKVDPNSKAS-VHSXEESVSA-N -1 0 319.379 -0.193 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NCc2cn(CC(=O)[O-])nn2)C1 ZINC001599744779 1017616792 /nfs/dbraw/zinc/61/67/92/1017616792.db2.gz GANBROLCNOFEPB-GXSJLCMTSA-N -1 0 316.383 -0.192 20 0 DBADRM CCC(CC)C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001498101927 1017617452 /nfs/dbraw/zinc/61/74/52/1017617452.db2.gz MSPQUTTVBPMSLC-UHFFFAOYSA-N -1 0 311.342 -0.548 20 0 DBADRM CS(=O)(=O)CC1CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC001599749594 1017618139 /nfs/dbraw/zinc/61/81/39/1017618139.db2.gz SVHGXDSHBDOHJZ-UHFFFAOYSA-N -1 0 306.384 -0.666 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599746844 1017618780 /nfs/dbraw/zinc/61/87/80/1017618780.db2.gz RITALICZJGNNAV-KXUCPTDWSA-N -1 0 304.368 -0.074 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001599747016 1017618875 /nfs/dbraw/zinc/61/88/75/1017618875.db2.gz XVCYDGVTSUEVTK-UHFFFAOYSA-N -1 0 320.367 -0.997 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(Cc2oncc2C(=O)[O-])CCO1 ZINC001599748189 1017618890 /nfs/dbraw/zinc/61/88/90/1017618890.db2.gz CDWARCRFEZLSAT-QMMMGPOBSA-N -1 0 304.324 -0.382 20 0 DBADRM CS(=O)(=O)CC1(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)COC1 ZINC001599748623 1017618913 /nfs/dbraw/zinc/61/89/13/1017618913.db2.gz NFYLRIBVLRNLRM-ZJUUUORDSA-N -1 0 319.379 -0.193 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1 ZINC001599748653 1017618934 /nfs/dbraw/zinc/61/89/34/1017618934.db2.gz NJMVWOLDCRVOGR-RKDXNWHRSA-N -1 0 305.352 -0.752 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(CN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC001599748894 1017618950 /nfs/dbraw/zinc/61/89/50/1017618950.db2.gz LUHKATRLHZGXHU-NXEZZACHSA-N -1 0 304.368 -0.757 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001599749993 1017619600 /nfs/dbraw/zinc/61/96/00/1017619600.db2.gz ZQCMHPPHSIUPQT-RYEJSQLPSA-N -1 0 317.319 -0.487 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)c1cc(C(=O)[O-])on1 ZINC001599751847 1017620438 /nfs/dbraw/zinc/62/04/38/1017620438.db2.gz QKQXCPRKCXAXAS-UHFFFAOYSA-N -1 0 306.296 -0.836 20 0 DBADRM CS(=O)(=O)CCCN1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001599750796 1017620596 /nfs/dbraw/zinc/62/05/96/1017620596.db2.gz JVQGRVOUQFVTQG-DTWKUNHWSA-N -1 0 318.351 -0.452 20 0 DBADRM CS(=O)(=O)CCCN1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001599750795 1017620962 /nfs/dbraw/zinc/62/09/62/1017620962.db2.gz JVQGRVOUQFVTQG-BDAKNGLRSA-N -1 0 318.351 -0.452 20 0 DBADRM CS(=O)(=O)CCCN1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001599750798 1017621140 /nfs/dbraw/zinc/62/11/40/1017621140.db2.gz JVQGRVOUQFVTQG-RKDXNWHRSA-N -1 0 318.351 -0.452 20 0 DBADRM CS(=O)(=O)CCCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC001599751163 1017621187 /nfs/dbraw/zinc/62/11/87/1017621187.db2.gz VHUWVESJVLOCOE-UHFFFAOYSA-N -1 0 307.368 -0.097 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)C1(C(=O)[O-])CC1 ZINC001599754999 1017622232 /nfs/dbraw/zinc/62/22/32/1017622232.db2.gz BHBNUXAXKMKTMR-QMMMGPOBSA-N -1 0 319.335 -0.613 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)NCc2cc(C(=O)[O-])co2)C1 ZINC001599754317 1017622747 /nfs/dbraw/zinc/62/27/47/1017622747.db2.gz ZNUFZNSNNKGDMD-UHFFFAOYSA-N -1 0 302.308 -0.515 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC001599754037 1017623349 /nfs/dbraw/zinc/62/33/49/1017623349.db2.gz NTXZHQPEMRYWGO-UHFFFAOYSA-N -1 0 319.364 -0.400 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)NCC2(C(=O)[O-])CCCC2)C1 ZINC001599753680 1017623369 /nfs/dbraw/zinc/62/33/69/1017623369.db2.gz FBGHMYBWZSZVSC-UHFFFAOYSA-N -1 0 304.368 -0.361 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(Cn2cnc(C(=O)[O-])n2)C1 ZINC001599758094 1017624156 /nfs/dbraw/zinc/62/41/56/1017624156.db2.gz JADIRJLBXNHGLQ-VIFPVBQESA-N -1 0 317.371 -0.805 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(c2ccc(C(=O)[O-])nn2)C1 ZINC001599759031 1017624906 /nfs/dbraw/zinc/62/49/06/1017624906.db2.gz FLLQWLHZGNSTSP-QMMMGPOBSA-N -1 0 300.340 -0.450 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001599758300 1017625008 /nfs/dbraw/zinc/62/50/08/1017625008.db2.gz LQFCSXUTCLSWPF-VIFPVBQESA-N -1 0 314.367 -0.060 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599757965 1017625019 /nfs/dbraw/zinc/62/50/19/1017625019.db2.gz NTJVFGPPSOZELH-MMWGEVLESA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599757180 1017625297 /nfs/dbraw/zinc/62/52/97/1017625297.db2.gz DFCILTLRIPVOCB-QEYWKRMJSA-N -1 0 304.368 -0.459 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001599758996 1017625308 /nfs/dbraw/zinc/62/53/08/1017625308.db2.gz DCHWNSKJTCYBER-QMMMGPOBSA-N -1 0 300.340 -0.450 20 0 DBADRM CS(=O)(=O)NCCC(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001599759049 1017625396 /nfs/dbraw/zinc/62/53/96/1017625396.db2.gz GACUSSIFSBAIFW-UHFFFAOYSA-N -1 0 301.324 -0.665 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNc1ccc2nccnc2n1)C(=O)[O-] ZINC001599763883 1017626873 /nfs/dbraw/zinc/62/68/73/1017626873.db2.gz WTZFFYSTEACLHB-TVQRCGJNSA-N -1 0 322.346 -0.302 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)COCC(=O)[O-] ZINC001599761513 1017627183 /nfs/dbraw/zinc/62/71/83/1017627183.db2.gz SEOYRVXUWGJNGS-RKDXNWHRSA-N -1 0 308.356 -0.936 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@H]1CCCCO1)C(=O)[O-] ZINC001599762717 1017627389 /nfs/dbraw/zinc/62/73/89/1017627389.db2.gz MVUNQZQDIDUPFD-VDDIYKPWSA-N -1 0 305.352 -0.440 20 0 DBADRM CS(=O)(=O)NCC1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001599759517 1017627911 /nfs/dbraw/zinc/62/79/11/1017627911.db2.gz XKHZUVADKNBMMV-UHFFFAOYSA-N -1 0 314.367 -0.060 20 0 DBADRM CS(=O)(=O)c1ncnn1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001599775118 1017628774 /nfs/dbraw/zinc/62/87/74/1017628774.db2.gz IFWLFOHFSDPNSS-UHFFFAOYSA-N -1 0 316.339 -0.995 20 0 DBADRM CS(=O)(=O)c1ccnc(N2CC(c3cc(C(=O)[O-])n[nH]3)C2)n1 ZINC001599773794 1017629367 /nfs/dbraw/zinc/62/93/67/1017629367.db2.gz MESDGWYYEPKZHQ-UHFFFAOYSA-N -1 0 323.334 -0.095 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NCCOCC(=O)[O-])cn1 ZINC001599768779 1017629662 /nfs/dbraw/zinc/62/96/62/1017629662.db2.gz ZZNKUKUJMGMXEP-UHFFFAOYSA-N -1 0 302.308 -0.684 20 0 DBADRM CS(=O)(=O)c1ccc(N)c(C(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC001599769088 1017629852 /nfs/dbraw/zinc/62/98/52/1017629852.db2.gz AISXJOPTRCIAAQ-JTQLQIEISA-N -1 0 316.335 -0.762 20 0 DBADRM CS(=O)(=O)c1cccnc1CNC(=O)NC[C@H](F)C(=O)[O-] ZINC001599774177 1017629860 /nfs/dbraw/zinc/62/98/60/1017629860.db2.gz VITHGTVSCRMLKK-ZETCQYMHSA-N -1 0 319.314 -0.293 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1cccc(=O)[nH]1)C(=O)[O-] ZINC001599764167 1017629868 /nfs/dbraw/zinc/62/98/68/1017629868.db2.gz BOKDEDHHLFHOGY-QPUJVOFHSA-N -1 0 314.319 -0.595 20 0 DBADRM CS(C)(=O)=NCCNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001599781770 1017631636 /nfs/dbraw/zinc/63/16/36/1017631636.db2.gz VNATXRACWZLTPT-UHFFFAOYSA-N -1 0 321.380 -0.214 20 0 DBADRM CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001599786663 1017631781 /nfs/dbraw/zinc/63/17/81/1017631781.db2.gz DOMVRJOFCXAFIB-VDTYLAMSSA-N -1 0 309.369 -0.501 20 0 DBADRM CSC1(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC001599784296 1017631997 /nfs/dbraw/zinc/63/19/97/1017631997.db2.gz QSWCYHYCVYKOOE-QMMMGPOBSA-N -1 0 302.352 -0.690 20 0 DBADRM C[S@@](=O)CCN1CCN(Cc2cc(C(=O)[O-])no2)CC1 ZINC001599775933 1017632108 /nfs/dbraw/zinc/63/21/08/1017632108.db2.gz ATKJWFJGRVJPOP-HXUWFJFHSA-N -1 0 301.368 -0.131 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)N(CC(=O)[O-])C1CCOCC1 ZINC001599780543 1017632556 /nfs/dbraw/zinc/63/25/56/1017632556.db2.gz FCCNIJIVLBDKRI-UHFFFAOYSA-N -1 0 314.385 -0.476 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC001599776874 1017632268 /nfs/dbraw/zinc/63/22/68/1017632268.db2.gz LOXURTRCIRZVCG-NNOLRYQLSA-N -1 0 318.395 -0.859 20 0 DBADRM CSCCC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001599794854 1017633325 /nfs/dbraw/zinc/63/33/25/1017633325.db2.gz ZJZKGHRSARATDJ-YUMQZZPRSA-N -1 0 315.351 -0.655 20 0 DBADRM CSCC[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(N)=O ZINC001599801351 1017633591 /nfs/dbraw/zinc/63/35/91/1017633591.db2.gz AVAHHNXUEZQIQQ-RNJXMRFFSA-N -1 0 310.397 -0.624 20 0 DBADRM CSCC[C@@H](O)C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001599795988 1017633852 /nfs/dbraw/zinc/63/38/52/1017633852.db2.gz FVIZFXLSNONJQS-BXKDBHETSA-N -1 0 301.368 -0.043 20 0 DBADRM CSCCCN(C)C(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599798907 1017634602 /nfs/dbraw/zinc/63/46/02/1017634602.db2.gz DNJXIBQWGYBIGT-UWVGGRQHSA-N -1 0 318.395 -0.102 20 0 DBADRM CSC[C@H](CCO)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001599791761 1017634674 /nfs/dbraw/zinc/63/46/74/1017634674.db2.gz AOTBOAIJZJGFET-QMMMGPOBSA-N -1 0 317.371 -0.611 20 0 DBADRM CSCC[C@H](O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001599796681 1017634723 /nfs/dbraw/zinc/63/47/23/1017634723.db2.gz TYZMHBAJHBHOJV-UWVGGRQHSA-N -1 0 320.411 -0.168 20 0 DBADRM CSCC[C@H](C)NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001599795180 1017634865 /nfs/dbraw/zinc/63/48/65/1017634865.db2.gz IBTZASQBJADUJU-LPEHRKFASA-N -1 0 318.395 -0.462 20 0 DBADRM CSCC[C@@H](O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599796701 1017634874 /nfs/dbraw/zinc/63/48/74/1017634874.db2.gz UKXHPFMFZFXECE-BXKDBHETSA-N -1 0 302.352 -0.068 20 0 DBADRM C[C@@H](CC(=O)[O-])OC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC001599834920 1017636899 /nfs/dbraw/zinc/63/68/99/1017636899.db2.gz LXNUOIAPRCPBBV-LURJTMIESA-N -1 0 324.293 -0.299 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1CCC(=O)N1C ZINC001599836820 1017636949 /nfs/dbraw/zinc/63/69/49/1017636949.db2.gz VLSLPIQIEBIODS-WCBMZHEXSA-N -1 0 321.337 -0.288 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@]1(C)CCOC1 ZINC001599836994 1017637507 /nfs/dbraw/zinc/63/75/07/1017637507.db2.gz SZZNZGZDXTUTQO-XPTSAGLGSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1cnsn1 ZINC001599836785 1017637517 /nfs/dbraw/zinc/63/75/17/1017637517.db2.gz SYNHFUJLTAHRIT-LURJTMIESA-N -1 0 308.323 -0.321 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cn(Cc2cccs2)nn1)C(=O)[O-] ZINC001599846406 1017638541 /nfs/dbraw/zinc/63/85/41/1017638541.db2.gz ZKESGNCXHYZIKS-XCBNKYQSSA-N -1 0 310.335 -0.048 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cccc(Cn2ccnn2)c1)C(=O)[O-] ZINC001599845918 1017639453 /nfs/dbraw/zinc/63/94/53/1017639453.db2.gz JYVXHCJCNLLCDX-SKDRFNHKSA-N -1 0 304.306 -0.110 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F)C(=O)[O-] ZINC001599844679 1017639497 /nfs/dbraw/zinc/63/94/97/1017639497.db2.gz UBOVZPYUUNIJHW-UNGCPHIMSA-N -1 0 312.244 -0.749 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(CCO)CC2)C[C@H]1C(=O)[O-] ZINC001599849329 1017640770 /nfs/dbraw/zinc/64/07/70/1017640770.db2.gz KTRXWZBOOLZNRB-ZYHUDNBSSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC(C(C)(C)O)C2)C[C@H]1CC(=O)[O-] ZINC001599849555 1017641177 /nfs/dbraw/zinc/64/11/77/1017641177.db2.gz OLZKWZRWUWMTTD-NXEZZACHSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](F)C2)C[C@@H](C(=O)[O-])O1 ZINC001599848759 1017641736 /nfs/dbraw/zinc/64/17/36/1017641736.db2.gz AMQHYSXBATUGKS-BBBLOLIVSA-N -1 0 302.302 -0.353 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)F)C[C@@H](C(=O)[O-])O1 ZINC001599851370 1017643414 /nfs/dbraw/zinc/64/34/14/1017643414.db2.gz SQAQFYGMBFGHCG-BDAKNGLRSA-N -1 0 304.318 -0.059 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001599851431 1017643880 /nfs/dbraw/zinc/64/38/80/1017643880.db2.gz VXHWVRNDANWQQE-MXWKQRLJSA-N -1 0 314.338 -0.628 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CC(c3cnn(C)c3)=NO2)C[C@@H](C(=O)[O-])O1 ZINC001599854470 1017644065 /nfs/dbraw/zinc/64/40/65/1017644065.db2.gz XKVDUIOITGGIRW-FXAINCCUSA-N -1 0 322.321 -0.386 20 0 DBADRM C[C@@H]1CN(C(=O)NCC[C@@]2(O)CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599860591 1017645280 /nfs/dbraw/zinc/64/52/80/1017645280.db2.gz OMZPLHOLJPWDTL-GBIKHYSHSA-N -1 0 302.327 -0.589 20 0 DBADRM C[C@@H]1CN(C(=O)NC2CC(C(=O)[O-])C2)CCN1S(C)(=O)=O ZINC001599857448 1017645532 /nfs/dbraw/zinc/64/55/32/1017645532.db2.gz LAJIGCQLAHUUJK-XNWIYYODSA-N -1 0 319.383 -0.475 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N(C)C2=O)C[C@H]1CC(=O)[O-] ZINC001599857881 1017645563 /nfs/dbraw/zinc/64/55/63/1017645563.db2.gz RZOWJCHUTHECIY-BBBLOLIVSA-N -1 0 311.338 -0.114 20 0 DBADRM C/C=C(/C)C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001498148803 1017646197 /nfs/dbraw/zinc/64/61/97/1017646197.db2.gz SYAXWSLRSGINDW-YWEYNIOJSA-N -1 0 306.322 -0.607 20 0 DBADRM C[C@@H]1CN(Cn2nnc(-c3cscn3)n2)C[C@@H](C(=O)[O-])O1 ZINC001599867579 1017647095 /nfs/dbraw/zinc/64/70/95/1017647095.db2.gz BVPXUYXIOYYQII-APPZFPTMSA-N -1 0 310.339 -0.072 20 0 DBADRM C[C@@H]1CN(c2nnc([C@@]3(O)CCOC3)n2C)C[C@H]1CC(=O)[O-] ZINC001599870357 1017648090 /nfs/dbraw/zinc/64/80/90/1017648090.db2.gz PXUUJPGNGNKZFY-GPCCPHFNSA-N -1 0 310.354 -0.030 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC(C3CS(=O)(=O)C3)C2)O[C@H]1C(=O)[O-] ZINC001599872155 1017648785 /nfs/dbraw/zinc/64/87/85/1017648785.db2.gz LPNUXNNPEYDBLK-AVPPRXQKSA-N -1 0 317.363 -0.632 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)C[C@H]2CN(C)CCO2)C[C@H]1CC(=O)[O-] ZINC001599867661 1017648808 /nfs/dbraw/zinc/64/88/08/1017648808.db2.gz HEMBMPRQQFBSPY-IJLUTSLNSA-N -1 0 320.411 -0.311 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCO[C@@H](c3ncon3)C2)O[C@H]1C(=O)[O-] ZINC001599874205 1017650171 /nfs/dbraw/zinc/65/01/71/1017650171.db2.gz VQCJESCAPPLKGL-ZYUZMQFOSA-N -1 0 311.294 -0.152 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC[C@]2(OCCO)CCOC2)O[C@H]1C(=O)[O-] ZINC001599874471 1017650550 /nfs/dbraw/zinc/65/05/50/1017650550.db2.gz DSCYFJINVBYMGS-ZHSDAYTOSA-N -1 0 317.338 -0.851 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCC[C@H]3CCNC(=O)[C@@H]32)O[C@H]1C(=O)[O-] ZINC001599874856 1017650576 /nfs/dbraw/zinc/65/05/76/1017650576.db2.gz ROOWJVCUSXZMII-IYKVGLELSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC[C@H](O)C2CCOCC2)O[C@H]1C(=O)[O-] ZINC001599874393 1017650602 /nfs/dbraw/zinc/65/06/02/1017650602.db2.gz AJTYGUXBDXTVHM-SASUGWTJSA-N -1 0 301.339 -0.232 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)O[C@H]1C(=O)[O-] ZINC001599875586 1017650612 /nfs/dbraw/zinc/65/06/12/1017650612.db2.gz ZGHZZKOXELJBFM-VVULQXIFSA-N -1 0 300.311 -0.986 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)CCc1cn[nH]c1 ZINC001599891163 1017652592 /nfs/dbraw/zinc/65/25/92/1017652592.db2.gz JWHCLPZDHJNQSU-SECBINFHSA-N -1 0 318.337 -0.131 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)C1CCCC1 ZINC001599891085 1017653032 /nfs/dbraw/zinc/65/30/32/1017653032.db2.gz FUNBPLSDBXRKHL-MVWJERBFSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)C(=O)[O-] ZINC001599893177 1017654464 /nfs/dbraw/zinc/65/44/64/1017654464.db2.gz RBGBYWAWTBAMQG-LURJTMIESA-N -1 0 319.314 -0.526 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCO[C@@H](CCF)C1)C(=O)[O-] ZINC001599896627 1017654771 /nfs/dbraw/zinc/65/47/71/1017654771.db2.gz LZVGVMCBJHBGKH-GUBZILKMSA-N -1 0 319.333 -0.266 20 0 DBADRM C[C@H](NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C(=O)N1CCCC1 ZINC001599894123 1017655071 /nfs/dbraw/zinc/65/50/71/1017655071.db2.gz OIAOPHBKTQAZJK-HBNTYKKESA-N -1 0 313.354 -0.214 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)C[C@@H]1CCCS1(=O)=O)C(=O)[O-] ZINC001599895684 1017655249 /nfs/dbraw/zinc/65/52/49/1017655249.db2.gz CXPSEFIEVIIMLI-CIUDSAMLSA-N -1 0 320.367 -0.952 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)C1(O)CCSCC1)C(=O)[O-] ZINC001599894891 1017655448 /nfs/dbraw/zinc/65/54/48/1017655448.db2.gz AKBGDEIUMYXUQB-YUMQZZPRSA-N -1 0 304.368 -0.662 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)CCn1cccn1 ZINC001599892215 1017655535 /nfs/dbraw/zinc/65/55/35/1017655535.db2.gz ZVFCLGGUBSXUFR-SNVBAGLBSA-N -1 0 318.337 -0.200 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@H]1CC[C@H](O)C1)C(=O)[O-] ZINC001599896967 1017657059 /nfs/dbraw/zinc/65/70/59/1017657059.db2.gz RNOZPLBLTYJFIW-XKNYDFJKSA-N -1 0 301.343 -0.576 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H](CO)C1CCC1)C(=O)[O-] ZINC001599896867 1017657088 /nfs/dbraw/zinc/65/70/88/1017657088.db2.gz QQHFCJGBYQWLOR-NRPADANISA-N -1 0 301.343 -0.576 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1CCc2c[nH]nc2C1)C(=O)[O-] ZINC001599897035 1017657137 /nfs/dbraw/zinc/65/71/37/1017657137.db2.gz SXVKALMIKOXLDT-OYNCUSHFSA-N -1 0 323.353 -0.456 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC[C@@](C)(O)CC1)C(=O)[O-] ZINC001599897577 1017657170 /nfs/dbraw/zinc/65/71/70/1017657170.db2.gz IFQVZNGFTJMWBS-PKFCDNJMSA-N -1 0 315.370 -0.089 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H](CO)C1CCC1)C(=O)[O-] ZINC001599896868 1017657262 /nfs/dbraw/zinc/65/72/62/1017657262.db2.gz QQHFCJGBYQWLOR-OYNCUSHFSA-N -1 0 301.343 -0.576 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H]1CCc2c[nH]nc2C1)C(=O)[O-] ZINC001599897034 1017657306 /nfs/dbraw/zinc/65/73/06/1017657306.db2.gz SXVKALMIKOXLDT-NRPADANISA-N -1 0 323.353 -0.456 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)COc1ccc(C=O)cc1)C(=O)[O-] ZINC001599896700 1017657371 /nfs/dbraw/zinc/65/73/71/1017657371.db2.gz ZUWKBMDMRNRQSC-UWVGGRQHSA-N -1 0 322.317 -0.028 20 0 DBADRM C[C@H]1CC[C@@](NC(=O)c2cn(CC(N)=O)nn2)(C(=O)[O-])CC1 ZINC001599907495 1017658928 /nfs/dbraw/zinc/65/89/28/1017658928.db2.gz FERNLPLCBIRQKP-XCSCGOTBSA-N -1 0 309.326 -0.473 20 0 DBADRM C[C@H]1C(=O)NCCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001599905323 1017659236 /nfs/dbraw/zinc/65/92/36/1017659236.db2.gz GTTIWXGLJBZOAV-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@H]1C(=O)NCCCN1C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001599905626 1017659323 /nfs/dbraw/zinc/65/93/23/1017659323.db2.gz SZRTYISARBUGES-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)Nc1nc2n(n1)CCCC2)C(=O)[O-] ZINC001599899241 1017659646 /nfs/dbraw/zinc/65/96/46/1017659646.db2.gz HVNIZOPNDPZBKX-YUMQZZPRSA-N -1 0 324.341 -0.286 20 0 DBADRM CC/C(C)=C\C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001498170563 1017659907 /nfs/dbraw/zinc/65/99/07/1017659907.db2.gz LASNGTRTEQFIAG-YWEYNIOJSA-N -1 0 309.326 -0.627 20 0 DBADRM CNC(=O)NCCC(=O)NC1CN(C(=O)c2ccccc2O)C1 ZINC001498171938 1017660850 /nfs/dbraw/zinc/66/08/50/1017660850.db2.gz YLMFWQLDOWTSQX-UHFFFAOYSA-N -1 0 320.349 -0.348 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2nccn2C)C[C@]1(C)C(=O)[O-] ZINC001599909110 1017661085 /nfs/dbraw/zinc/66/10/85/1017661085.db2.gz KGHDINDFSSENIZ-BONVTDFDSA-N -1 0 322.365 -0.052 20 0 DBADRM C[C@H]1CC[C@@](NS(=O)(=O)[C@@H]2COC[C@H]2O)(C(=O)[O-])CC1 ZINC001599909321 1017661170 /nfs/dbraw/zinc/66/11/70/1017661170.db2.gz NKOAOAAEAYTUEE-DNRKLUKYSA-N -1 0 307.368 -0.301 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCc2ccc(C(=O)[O-])cc2)CC[NH2+]1 ZINC001599912057 1017662901 /nfs/dbraw/zinc/66/29/01/1017662901.db2.gz DNHNFCDLBGEHTC-NSHDSACASA-N -1 0 319.361 -0.136 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCn2cccc2)C[C@@H](C(=O)[O-])O1 ZINC001599911844 1017663308 /nfs/dbraw/zinc/66/33/08/1017663308.db2.gz NJPKKOJNEAJRLG-QWRGUYRKSA-N -1 0 309.322 -0.695 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCO2)C[C@@H](C(=O)[O-])O1 ZINC001599912038 1017663514 /nfs/dbraw/zinc/66/35/14/1017663514.db2.gz CVIXSIZAFWAYIA-DCAQKATOSA-N -1 0 314.338 -0.628 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@H]2CSC2(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599914022 1017663551 /nfs/dbraw/zinc/66/35/51/1017663551.db2.gz VXSCSPZFGQYDSL-CIUDSAMLSA-N -1 0 316.379 -0.303 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCCCC(=O)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599916488 1017664002 /nfs/dbraw/zinc/66/40/02/1017664002.db2.gz KEJLVMZCARMMEC-ONGXEEELSA-N -1 0 312.322 -0.732 20 0 DBADRM C[C@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@@H](C(=O)[O-])O1 ZINC001599917753 1017664715 /nfs/dbraw/zinc/66/47/15/1017664715.db2.gz WNJPELSRZXFQRC-UWVGGRQHSA-N -1 0 324.337 -0.918 20 0 DBADRM C[C@H]1CN(C(=O)Cc2nnn(C(C)(C)C)n2)C[C@@H](C(=O)[O-])O1 ZINC001599918593 1017664890 /nfs/dbraw/zinc/66/48/90/1017664890.db2.gz OYXXHOITGQPNGV-IUCAKERBSA-N -1 0 311.342 -0.329 20 0 DBADRM C[C@H]1CN(C(=O)NCCCN2CCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001599920577 1017664976 /nfs/dbraw/zinc/66/49/76/1017664976.db2.gz MGWDCPVYJJEMAK-RYUDHWBXSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@H]1CN(C(=O)NCCN2CCNC(=O)C2)C[C@]1(C)C(=O)[O-] ZINC001599919514 1017665048 /nfs/dbraw/zinc/66/50/48/1017665048.db2.gz JSNHPWVNQXZQIQ-HZMBPMFUSA-N -1 0 312.370 -0.830 20 0 DBADRM C[C@H]1CN(C(=O)NCCN2C(=O)CCC2=O)C[C@]1(C)C(=O)[O-] ZINC001599919477 1017665224 /nfs/dbraw/zinc/66/52/24/1017665224.db2.gz GHHCLONVNPWAFN-XPTSAGLGSA-N -1 0 311.338 -0.112 20 0 DBADRM C[C@H]1CN(C(=O)NCCS(=O)(=O)C2CC2)C[C@@H](C(=O)[O-])O1 ZINC001599919481 1017666181 /nfs/dbraw/zinc/66/61/81/1017666181.db2.gz GSKHSIVNMHEVOW-WPRPVWTQSA-N -1 0 320.367 -0.553 20 0 DBADRM C[C@H]1CN(C(=O)NCCN2CCSCC2)C[C@@H](C(=O)[O-])O1 ZINC001599919505 1017666389 /nfs/dbraw/zinc/66/63/89/1017666389.db2.gz IXWCIEJVXJGWJJ-QWRGUYRKSA-N -1 0 317.411 -0.081 20 0 DBADRM C[C@H]1CN(CCn2nc3ccccn3c2=O)C[C@@H](C(=O)[O-])O1 ZINC001599928372 1017667570 /nfs/dbraw/zinc/66/75/70/1017667570.db2.gz HQRPSIAWLZVPRO-QWRGUYRKSA-N -1 0 306.322 -0.330 20 0 DBADRM C[C@H]1CN(c2nnnn2C[C@H]2COCCO2)C[C@]1(C)C(=O)[O-] ZINC001599933671 1017667871 /nfs/dbraw/zinc/66/78/71/1017667871.db2.gz TVTQSFYZBWDLMC-KWBADKCTSA-N -1 0 311.342 -0.365 20 0 DBADRM C[C@H]1CN(Cn2nnc(-c3cscn3)n2)C[C@@H](C(=O)[O-])O1 ZINC001599929916 1017667922 /nfs/dbraw/zinc/66/79/22/1017667922.db2.gz BVPXUYXIOYYQII-CBAPKCEASA-N -1 0 310.339 -0.072 20 0 DBADRM C[C@H]1CN(Cc2nnn(CC(F)(F)F)n2)C[C@@H](C(=O)[O-])O1 ZINC001599931429 1017668261 /nfs/dbraw/zinc/66/82/61/1017668261.db2.gz NUXCLKCYOADBIG-BQBZGAKWSA-N -1 0 309.248 -0.091 20 0 DBADRM C[C@H]1CN(Cc2nnc3c(=O)n(C)ccn23)C[C@]1(C)C(=O)[O-] ZINC001599931284 1017668282 /nfs/dbraw/zinc/66/82/82/1017668282.db2.gz BNJXCJONSIODNC-XPTSAGLGSA-N -1 0 305.338 -0.029 20 0 DBADRM C[C@H]1CN(c2nnnn2CC[C@@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599933264 1017668794 /nfs/dbraw/zinc/66/87/94/1017668794.db2.gz ODQNKOAJANGPBR-AXFHLTTASA-N -1 0 311.342 -0.222 20 0 DBADRM C[C@H]1CN(c2nnc(CC3CC(O)C3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599935937 1017669011 /nfs/dbraw/zinc/66/90/11/1017669011.db2.gz TYGUIPPYXIYHPR-PMUOWJKOSA-N -1 0 310.354 -0.193 20 0 DBADRM Cc1nc[nH]c1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599967448 1017670582 /nfs/dbraw/zinc/67/05/82/1017670582.db2.gz FIZUKFVLFWQWQX-UWVGGRQHSA-N -1 0 306.322 -0.278 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC001599955973 1017670727 /nfs/dbraw/zinc/67/07/27/1017670727.db2.gz ZRFFONDPNOVOGK-ZETCQYMHSA-N -1 0 308.294 -0.310 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCS(=O)(=O)CC1 ZINC001599958741 1017670974 /nfs/dbraw/zinc/67/09/74/1017670974.db2.gz HIUPTQSZDWLCAE-UHFFFAOYSA-N -1 0 300.336 -0.066 20 0 DBADRM C[C@H]1OCCO[C@H]1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599936601 1017671043 /nfs/dbraw/zinc/67/10/43/1017671043.db2.gz XYYUCBUULPJYHO-WCABBAIRSA-N -1 0 310.310 -0.446 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=S)c1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599941842 1017671373 /nfs/dbraw/zinc/67/13/73/1017671373.db2.gz WPRJKTAFFKFQKU-HTRCEHHLSA-N -1 0 313.335 -0.001 20 0 DBADRM Cc1[nH]c(C(=O)CN(C)CCS(N)(=O)=O)c(C)c1C(=O)[O-] ZINC001599945257 1017671434 /nfs/dbraw/zinc/67/14/34/1017671434.db2.gz SSFDNMBNJNTUOE-UHFFFAOYSA-N -1 0 317.367 -0.267 20 0 DBADRM Cc1[nH]c(C(=O)N2CCN(CC(N)=O)C(=O)C2)c(C)c1C(=O)[O-] ZINC001599950140 1017671695 /nfs/dbraw/zinc/67/16/95/1017671695.db2.gz GMKCZPZPCZMCHG-UHFFFAOYSA-N -1 0 322.321 -0.901 20 0 DBADRM Cc1[nH]c(C=O)cc1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001599959796 1017672230 /nfs/dbraw/zinc/67/22/30/1017672230.db2.gz ILZBBLLZTVWRJM-NSHDSACASA-N -1 0 307.306 -0.059 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)OCC(=O)N1CCNC(=O)C1 ZINC001599958335 1017672428 /nfs/dbraw/zinc/67/24/28/1017672428.db2.gz ZVPVWXWNZLCRAB-UHFFFAOYSA-N -1 0 323.305 -0.555 20 0 DBADRM Cc1c(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nnn1C ZINC001599979713 1017673520 /nfs/dbraw/zinc/67/35/20/1017673520.db2.gz GETCFLPIJVAAEN-OKWQPMOJSA-N -1 0 321.337 -0.754 20 0 DBADRM Cc1nc[nH]c1CC(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599968262 1017673593 /nfs/dbraw/zinc/67/35/93/1017673593.db2.gz ODDQQIRPTCRKER-QWRGUYRKSA-N -1 0 320.349 -0.349 20 0 DBADRM Cc1c(C(=O)NC[C@H](O)CC(=O)[O-])cccc1S(N)(=O)=O ZINC001599979655 1017673651 /nfs/dbraw/zinc/67/36/51/1017673651.db2.gz DPRGALWBVXMQOR-MRVPVSSYSA-N -1 0 316.335 -0.792 20 0 DBADRM Cc1nc[nH]c1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599967776 1017674026 /nfs/dbraw/zinc/67/40/26/1017674026.db2.gz OCKUEMINGULOOP-UWVGGRQHSA-N -1 0 306.322 -0.278 20 0 DBADRM Cc1c(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cnn1C ZINC001599975951 1017674105 /nfs/dbraw/zinc/67/41/05/1017674105.db2.gz ZTNPZXCZXSZZRU-MNOVXSKESA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001599969277 1017674654 /nfs/dbraw/zinc/67/46/54/1017674654.db2.gz ALVQRGGBPKTJIZ-ZETCQYMHSA-N -1 0 305.312 -0.787 20 0 DBADRM Cc1nc[nH]c1CC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599968561 1017674868 /nfs/dbraw/zinc/67/48/68/1017674868.db2.gz YXGVUPYBEJAXPB-VHSXEESVSA-N -1 0 306.322 -0.692 20 0 DBADRM Cc1c(C(=O)NC[C@@H](C)Nc2ncc(C(=O)[O-])cn2)nnn1C ZINC001599980690 1017676272 /nfs/dbraw/zinc/67/62/72/1017676272.db2.gz ONBLZUSDPLCBHZ-SSDOTTSWSA-N -1 0 319.325 -0.158 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1C ZINC001599993495 1017676551 /nfs/dbraw/zinc/67/65/51/1017676551.db2.gz UELTWVSRNIPIJG-WDEREUQCSA-N -1 0 309.322 -0.319 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)N2CC[C@@H](NC(N)=O)C2)n1C ZINC001599991696 1017676563 /nfs/dbraw/zinc/67/65/63/1017676563.db2.gz OSZYNFNIYRBZBF-SECBINFHSA-N -1 0 323.353 -0.016 20 0 DBADRM Cc1c(C(=O)NCCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])nnn1C ZINC001599980913 1017677035 /nfs/dbraw/zinc/67/70/35/1017677035.db2.gz ZIWFVPBFOUNMKA-ZJUUUORDSA-N -1 0 323.353 -0.577 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@H](C)OC[C@@H]2C)cnn1CC(=O)[O-] ZINC001600026069 1017677830 /nfs/dbraw/zinc/67/78/30/1017677830.db2.gz ZOJRELNJFAPZFQ-IUCAKERBSA-N -1 0 324.337 -0.150 20 0 DBADRM Cc1c(CC(=O)NCCNc2ccnc(C(=O)[O-])n2)cnn1C ZINC001600011410 1017678058 /nfs/dbraw/zinc/67/80/58/1017678058.db2.gz PWRGELFCHCYZFS-UHFFFAOYSA-N -1 0 318.337 -0.591 20 0 DBADRM Cc1c(CC(=O)NCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cnn1C ZINC001600011532 1017678236 /nfs/dbraw/zinc/67/82/36/1017678236.db2.gz SUYCMSRQZFOGQE-NEPJUHHUSA-N -1 0 322.365 -0.434 20 0 DBADRM Cc1c(CC(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cnn1C ZINC001600010024 1017678245 /nfs/dbraw/zinc/67/82/45/1017678245.db2.gz VUXWMUZKBJNSAF-RYUDHWBXSA-N -1 0 320.349 -0.681 20 0 DBADRM Cc1c(CCC(=O)NCCn2cc(C(=O)[O-])nn2)cnn1C ZINC001600011757 1017678548 /nfs/dbraw/zinc/67/85/48/1017678548.db2.gz SMYPZWCRRLIHMA-UHFFFAOYSA-N -1 0 306.326 -0.233 20 0 DBADRM Cc1c(NC(=O)C(=O)N(C)CC2(C)COC2)cnn1CC(=O)[O-] ZINC001600023078 1017678562 /nfs/dbraw/zinc/67/85/62/1017678562.db2.gz CXSNPMGBVYMXSM-UHFFFAOYSA-N -1 0 324.337 -0.290 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cnn1C ZINC001600010550 1017678816 /nfs/dbraw/zinc/67/88/16/1017678816.db2.gz PYMMTHCEKUHSNO-GXSJLCMTSA-N -1 0 308.338 -0.334 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCOCC(N)=O)cccc1C(=O)[O-] ZINC001600028808 1017679878 /nfs/dbraw/zinc/67/98/78/1017679878.db2.gz LHUFMBYEZATKSV-UHFFFAOYSA-N -1 0 323.305 -0.750 20 0 DBADRM Cc1c(NC(=O)CC[C@H]2NC(=O)NC2=O)cnn1CC(=O)[O-] ZINC001600034473 1017680130 /nfs/dbraw/zinc/68/01/30/1017680130.db2.gz XNCLHGPJNFAIQC-SSDOTTSWSA-N -1 0 309.282 -0.797 20 0 DBADRM Cc1c(NC(=O)CC[C@@H]2NC(=O)NC2=O)cnn1CC(=O)[O-] ZINC001600034474 1017680212 /nfs/dbraw/zinc/68/02/12/1017680212.db2.gz XNCLHGPJNFAIQC-ZETCQYMHSA-N -1 0 309.282 -0.797 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001600066497 1017681503 /nfs/dbraw/zinc/68/15/03/1017681503.db2.gz JZQMHEFUZOOYFJ-ZJUUUORDSA-N -1 0 321.333 -0.046 20 0 DBADRM Cc1c[nH]c(C(=O)NCC=CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001600060493 1017681683 /nfs/dbraw/zinc/68/16/83/1017681683.db2.gz LACNCDFLTIFXSO-HLKOZVMDSA-N -1 0 306.322 -0.159 20 0 DBADRM Cc1cc(C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)on1 ZINC001600079810 1017681833 /nfs/dbraw/zinc/68/18/33/1017681833.db2.gz AFAOVCAUXHXHFD-VHSXEESVSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001600060375 1017681908 /nfs/dbraw/zinc/68/19/08/1017681908.db2.gz PMYZLSNWUPDODP-AWEZNQCLSA-N -1 0 309.322 -0.428 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001600060134 1017681968 /nfs/dbraw/zinc/68/19/68/1017681968.db2.gz HVXWRQROTIYOQA-UHFFFAOYSA-N -1 0 323.349 -0.038 20 0 DBADRM Cc1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)on1 ZINC001600076999 1017681997 /nfs/dbraw/zinc/68/19/97/1017681997.db2.gz DZFZJRVOFKDQFN-NXEZZACHSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1cc(C(=O)N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)oc1C(=O)[O-] ZINC001600084235 1017683429 /nfs/dbraw/zinc/68/34/29/1017683429.db2.gz QLYLRIIZZIBGGW-OCAPTIKFSA-N -1 0 306.274 -0.027 20 0 DBADRM Cc1cc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c(C)n1NC(N)=O ZINC001600082210 1017683621 /nfs/dbraw/zinc/68/36/21/1017683621.db2.gz PRNZUOHBYJVFKC-GHMZBOCLSA-N -1 0 324.337 -0.223 20 0 DBADRM Cc1cc(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)oc1C(=O)[O-] ZINC001600083424 1017683689 /nfs/dbraw/zinc/68/36/89/1017683689.db2.gz YIQHHKZXOKUHSY-VIFPVBQESA-N -1 0 310.306 -0.049 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](CO)Nc2ccnc(C(=O)[O-])n2)co1 ZINC001600091810 1017683804 /nfs/dbraw/zinc/68/38/04/1017683804.db2.gz JFSXRDWAOCJSSP-JTQLQIEISA-N -1 0 320.305 -0.299 20 0 DBADRM Cc1cc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)ncn1 ZINC001600081520 1017683838 /nfs/dbraw/zinc/68/38/38/1017683838.db2.gz XESXPQWYBHERFD-QWRGUYRKSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1cc(C(=O)NCC(=O)NCCO)cc(C)c1OCC(=O)[O-] ZINC001600091087 1017683894 /nfs/dbraw/zinc/68/38/94/1017683894.db2.gz JTOGTDVBXZMMMI-UHFFFAOYSA-N -1 0 324.333 -0.395 20 0 DBADRM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cc(=O)[nH]1 ZINC001600082545 1017684408 /nfs/dbraw/zinc/68/44/08/1017684408.db2.gz IRNXPCTYVVPRMO-SNVBAGLBSA-N -1 0 307.306 -0.099 20 0 DBADRM Cc1cc(C)c(C(=O)NCCC(=O)NCCC(=O)[O-])c(=O)o1 ZINC001600151794 1017685455 /nfs/dbraw/zinc/68/54/55/1017685455.db2.gz NTPJDIZEBFFCNO-UHFFFAOYSA-N -1 0 310.306 -0.033 20 0 DBADRM Cc1cc(CC(=O)N2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)no1 ZINC001600187249 1017686914 /nfs/dbraw/zinc/68/69/14/1017686914.db2.gz BJVZRVVGTNXVMA-RYUDHWBXSA-N -1 0 321.333 -0.179 20 0 DBADRM Cc1cc(C)n2nc(C(=O)NC3(C(=O)[O-])CC(CO)C3)nc2n1 ZINC001600180127 1017686922 /nfs/dbraw/zinc/68/69/22/1017686922.db2.gz WURJEXAQNJYSFC-UHFFFAOYSA-N -1 0 319.321 -0.303 20 0 DBADRM Cc1cc(C)cc([C@H](NC(=O)CN2CCNC(=O)C2)C(=O)[O-])c1 ZINC001600171878 1017687407 /nfs/dbraw/zinc/68/74/07/1017687407.db2.gz LAFGESZWSVDPQO-HNNXBMFYSA-N -1 0 319.361 -0.023 20 0 DBADRM Cc1cc(CCNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])nn1C ZINC001600187721 1017687471 /nfs/dbraw/zinc/68/74/71/1017687471.db2.gz AULIJRZHZOVCGU-LBPRGKRZSA-N -1 0 322.365 -0.147 20 0 DBADRM Cc1cc(C)n(CC(=O)NCCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600178791 1017687488 /nfs/dbraw/zinc/68/74/88/1017687488.db2.gz KODBLTGSYSZLMI-RYUDHWBXSA-N -1 0 322.365 -0.157 20 0 DBADRM Cc1cc(C)n(CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c(=O)n1 ZINC001600178816 1017687796 /nfs/dbraw/zinc/68/77/96/1017687796.db2.gz LVEODRKFWULPQH-ZYHUDNBSSA-N -1 0 309.322 -0.534 20 0 DBADRM Cc1cc(C)n(CC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)c(=O)n1 ZINC001600178422 1017687850 /nfs/dbraw/zinc/68/78/50/1017687850.db2.gz UZQASIVHIOUEFS-QWRGUYRKSA-N -1 0 309.322 -0.439 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N3CCC[C@H](O)[C@@H]3C(=O)[O-])nc2n1 ZINC001600179717 1017687950 /nfs/dbraw/zinc/68/79/50/1017687950.db2.gz LRXVGUZYUYWHPJ-VHSXEESVSA-N -1 0 319.321 -0.209 20 0 DBADRM Cc1cc(C)n(CC(=O)NCCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600178789 1017688061 /nfs/dbraw/zinc/68/80/61/1017688061.db2.gz KODBLTGSYSZLMI-NEPJUHHUSA-N -1 0 322.365 -0.157 20 0 DBADRM Cc1cc(CCn2nnnc2N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)nn1C ZINC001600188467 1017689121 /nfs/dbraw/zinc/68/91/21/1017689121.db2.gz HDLCIYGFFIRKQW-GDNZZTSVSA-N -1 0 317.353 -0.275 20 0 DBADRM Cc1cc(CS(=O)(=O)N[C@@H](CC2OCCO2)C(=O)[O-])on1 ZINC001600215632 1017689170 /nfs/dbraw/zinc/68/91/70/1017689170.db2.gz HTWCIFDQAJKTOH-VIFPVBQESA-N -1 0 320.323 -0.381 20 0 DBADRM Cc1cc(CS(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)on1 ZINC001600215718 1017689901 /nfs/dbraw/zinc/68/99/01/1017689901.db2.gz JZLAYYCFBGKYIP-NSHDSACASA-N -1 0 304.324 -0.106 20 0 DBADRM Cc1cc(CNC(=O)CCn2ncn(C)c2=O)oc1C(=O)[O-] ZINC001600198796 1017689933 /nfs/dbraw/zinc/68/99/33/1017689933.db2.gz ZOULZGBTXNTIJU-UHFFFAOYSA-N -1 0 308.294 -0.112 20 0 DBADRM Cc1cc(F)c(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)cc1C(=O)[O-] ZINC001600228534 1017690121 /nfs/dbraw/zinc/69/01/21/1017690121.db2.gz LCNZYVVRTZWVEC-UWVGGRQHSA-N -1 0 319.310 -0.442 20 0 DBADRM Cc1cc(F)cc(-n2cc(C(=O)N[C@H](CO)C(=O)[O-])nn2)c1 ZINC001600228851 1017690171 /nfs/dbraw/zinc/69/01/71/1017690171.db2.gz NYDGYEZUKUEHML-LLVKDONJSA-N -1 0 308.269 -0.110 20 0 DBADRM Cc1cc(N2CCN3C(=O)NC[C@H]3C2)n2nc(C(=O)[O-])nc2n1 ZINC001600240901 1017691234 /nfs/dbraw/zinc/69/12/34/1017691234.db2.gz AWIQRRIFMCGOQE-QMMMGPOBSA-N -1 0 317.309 -0.655 20 0 DBADRM Cc1cc(N2CCN3CCOC[C@@H]3C2)n2nc(C(=O)[O-])nc2n1 ZINC001600240965 1017691309 /nfs/dbraw/zinc/69/13/09/1017691309.db2.gz FSICTHJRALVOOD-JTQLQIEISA-N -1 0 318.337 -0.348 20 0 DBADRM Cc1cc(N2CCOC[C@@H]2CC(=O)[O-])nc(S(C)(=O)=O)n1 ZINC001600242609 1017691395 /nfs/dbraw/zinc/69/13/95/1017691395.db2.gz YNDPDQNMVHEFDJ-VIFPVBQESA-N -1 0 315.351 -0.132 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCN(C)C(=O)[C@@H]2C)c(C(=O)[O-])[nH]1 ZINC001600245815 1017691740 /nfs/dbraw/zinc/69/17/40/1017691740.db2.gz WVXSOWCVPMDJNB-QMMMGPOBSA-N -1 0 322.321 -0.351 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cn(C)c1=O ZINC001600243439 1017691748 /nfs/dbraw/zinc/69/17/48/1017691748.db2.gz HWNHHYOWDUCBEB-MWLCHTKSSA-N -1 0 321.333 -0.046 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H](C)c2ncnn2C)c(C(=O)[O-])[nH]1 ZINC001600246846 1017691791 /nfs/dbraw/zinc/69/17/91/1017691791.db2.gz ZTTMIINLVQQKCV-SSDOTTSWSA-N -1 0 320.309 -0.034 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCN2CCOCC2)c(C(=O)[O-])[nH]1 ZINC001600247390 1017692083 /nfs/dbraw/zinc/69/20/83/1017692083.db2.gz FFGADFLWRIXCKN-UHFFFAOYSA-N -1 0 324.337 -0.592 20 0 DBADRM Cc1cc(NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n2ncnc2n1 ZINC001600280925 1017693982 /nfs/dbraw/zinc/69/39/82/1017693982.db2.gz JMQVXASGKOAYRD-IUCAKERBSA-N -1 0 304.310 -0.318 20 0 DBADRM Cc1cc(NC(=O)C(=O)Nc2ccnn2CCO)c(C(=O)[O-])[nH]1 ZINC001600248882 1017694116 /nfs/dbraw/zinc/69/41/16/1017694116.db2.gz XUWZAGYDOYKICJ-UHFFFAOYSA-N -1 0 321.293 -0.213 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001600284417 1017694317 /nfs/dbraw/zinc/69/43/17/1017694317.db2.gz KWUXPMXEIPDTSW-UHFFFAOYSA-N -1 0 324.333 -0.309 20 0 DBADRM Cc1cc(NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n2ncnc2n1 ZINC001600280924 1017694439 /nfs/dbraw/zinc/69/44/39/1017694439.db2.gz JMQVXASGKOAYRD-DTWKUNHWSA-N -1 0 304.310 -0.318 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)NCc1ocnc1C(=O)[O-] ZINC001600284487 1017694625 /nfs/dbraw/zinc/69/46/25/1017694625.db2.gz OFQNLFRZMHTLGN-UHFFFAOYSA-N -1 0 307.262 -0.135 20 0 DBADRM Cc1c(CC(=O)N[C@H](CO)C(=O)[O-])nnn1-c1ccc(C)cc1 ZINC001600324233 1017695352 /nfs/dbraw/zinc/69/53/52/1017695352.db2.gz GMTOTCJFVHSFDO-CYBMUJFWSA-N -1 0 318.333 -0.012 20 0 DBADRM Cc1cc(S(=O)(=O)N2C[C@H](O)C[C@]2(C)CO)oc1C(=O)[O-] ZINC001600295491 1017695389 /nfs/dbraw/zinc/69/53/89/1017695389.db2.gz JMRYIXLBSIHURB-PRHODGIISA-N -1 0 319.335 -0.207 20 0 DBADRM Cc1cc(S(=O)(=O)N2C[C@H](CO)[C@H](O)C2)oc1C(=O)[O-] ZINC001600293214 1017695501 /nfs/dbraw/zinc/69/55/01/1017695501.db2.gz JSKQZFXQERGJCX-HTQZYQBOSA-N -1 0 305.308 -0.740 20 0 DBADRM Cc1cc(S(=O)(=O)NCc2ncn(C)n2)oc1C(=O)[O-] ZINC001600300518 1017695794 /nfs/dbraw/zinc/69/57/94/1017695794.db2.gz WDIMLSGVXUKFME-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM Cc1cc(S(=O)(=O)NCCN(C)CCO)oc1C(=O)[O-] ZINC001600299639 1017696124 /nfs/dbraw/zinc/69/61/24/1017696124.db2.gz CHUQGRZGDWHGRF-UHFFFAOYSA-N -1 0 306.340 -0.511 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001600302721 1017695983 /nfs/dbraw/zinc/69/59/83/1017695983.db2.gz WZMJTFKMMJMFRX-RQJHMYQMSA-N -1 0 302.308 -0.172 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@H]2C[C@H](C(N)=O)C2)oc1C(=O)[O-] ZINC001600301687 1017696237 /nfs/dbraw/zinc/69/62/37/1017696237.db2.gz QMMOEKNJTHSBRO-LJGSYFOKSA-N -1 0 302.308 -0.172 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)cnc1N ZINC001600297249 1017696405 /nfs/dbraw/zinc/69/64/05/1017696405.db2.gz NLYBMGMKYHKXIW-LBPRGKRZSA-N -1 0 315.351 -0.116 20 0 DBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NCCC(N)=O ZINC001600290700 1017696442 /nfs/dbraw/zinc/69/64/42/1017696442.db2.gz YKXUGEZSKBHHTB-UHFFFAOYSA-N -1 0 323.305 -0.611 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1C[C@H](O)[C@H](CO)C1 ZINC001600355540 1017697226 /nfs/dbraw/zinc/69/72/26/1017697226.db2.gz WZQLWBFDNBSXAW-AAEUAGOBSA-N -1 0 308.334 -0.083 20 0 DBADRM Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])o1 ZINC001600331145 1017697425 /nfs/dbraw/zinc/69/74/25/1017697425.db2.gz HPWLQAXEOSIPKG-MNOVXSKESA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1ccc(C(=O)NCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001600340540 1017697531 /nfs/dbraw/zinc/69/75/31/1017697531.db2.gz IDMQPNZCKGBHBM-UWVGGRQHSA-N -1 0 306.322 -0.306 20 0 DBADRM Cc1ccc(CCC(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC001600405743 1017697556 /nfs/dbraw/zinc/69/75/56/1017697556.db2.gz GOWFKATWVSFFIN-ABAIWWIYSA-N -1 0 322.361 -0.006 20 0 DBADRM Cc1ccc(C(=O)NC[C@@H](CO)Nc2ccnc(C(=O)[O-])n2)o1 ZINC001600337992 1017697944 /nfs/dbraw/zinc/69/79/44/1017697944.db2.gz CKSUIUPOOPBMOW-VIFPVBQESA-N -1 0 320.305 -0.299 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1C[C@H](CO)[C@H](O)C1 ZINC001600355541 1017698199 /nfs/dbraw/zinc/69/81/99/1017698199.db2.gz WZQLWBFDNBSXAW-DGCLKSJQSA-N -1 0 308.334 -0.083 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c(=O)[nH]1 ZINC001600440602 1017699663 /nfs/dbraw/zinc/69/96/63/1017699663.db2.gz ZYWKFCFANAGLRE-VIFPVBQESA-N -1 0 309.278 -0.654 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cn1 ZINC001600439829 1017699678 /nfs/dbraw/zinc/69/96/78/1017699678.db2.gz PYWYNFYDCMBUIK-MNOVXSKESA-N -1 0 307.306 -0.235 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCOCCO)c(C(=O)[O-])c1 ZINC001600482263 1017700029 /nfs/dbraw/zinc/70/00/29/1017700029.db2.gz JGJIBGIRHUYRME-UHFFFAOYSA-N -1 0 303.336 -0.020 20 0 DBADRM Cc1ccc(NC(=O)NC[C@@H](O)CC(=O)[O-])cc1-n1cnnn1 ZINC001600454343 1017700184 /nfs/dbraw/zinc/70/01/84/1017700184.db2.gz OZHKMNBJJHMXLC-JTQLQIEISA-N -1 0 320.309 -0.072 20 0 DBADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](CF)C(=O)[O-] ZINC001600483969 1017700206 /nfs/dbraw/zinc/70/02/06/1017700206.db2.gz IJOGWEFXAYBBRB-VIFPVBQESA-N -1 0 304.299 -0.205 20 0 DBADRM Cc1ccn(CC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c(=O)c1 ZINC001600595045 1017700830 /nfs/dbraw/zinc/70/08/30/1017700830.db2.gz BBRNPSZZFAIQEC-HNNXBMFYSA-N -1 0 319.317 -0.011 20 0 DBADRM Cc1ccn(CC(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001600595638 1017701825 /nfs/dbraw/zinc/70/18/25/1017701825.db2.gz LIHLYZLAFYLWLK-GHMZBOCLSA-N -1 0 308.338 -0.513 20 0 DBADRM Cc1cccn2c(=O)c(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])cnc12 ZINC001600588520 1017701925 /nfs/dbraw/zinc/70/19/25/1017701925.db2.gz KWFILMKVHKJDHC-WDEREUQCSA-N -1 0 317.301 -0.025 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001600595560 1017701980 /nfs/dbraw/zinc/70/19/80/1017701980.db2.gz IBNRKWVXMUWWAC-VHSXEESVSA-N -1 0 309.322 -0.007 20 0 DBADRM Cc1ccncc1S(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001600606583 1017702901 /nfs/dbraw/zinc/70/29/01/1017702901.db2.gz JNSXFTNCTUYSND-VHSXEESVSA-N -1 0 300.336 -0.154 20 0 DBADRM Cc1ccn(C[C@H](C)C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])n1 ZINC001600597478 1017703076 /nfs/dbraw/zinc/70/30/76/1017703076.db2.gz DSSBVBZQNMJQIS-ONGXEEELSA-N -1 0 308.338 -0.419 20 0 DBADRM Cc1ccnn1CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001600607726 1017703116 /nfs/dbraw/zinc/70/31/16/1017703116.db2.gz OGLJSTRYRMCEED-JTQLQIEISA-N -1 0 315.351 -0.708 20 0 DBADRM Cc1ccncc1CN1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600605628 1017703141 /nfs/dbraw/zinc/70/31/41/1017703141.db2.gz XJIMTZHDGAMDCV-OLZOCXBDSA-N -1 0 319.361 -0.226 20 0 DBADRM Cc1ccnc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600597937 1017703661 /nfs/dbraw/zinc/70/36/61/1017703661.db2.gz CULSWFVXEBWMNG-QWRGUYRKSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)NC[C@@H](O)CC(=O)[O-])c2=O ZINC001600596521 1017704023 /nfs/dbraw/zinc/70/40/23/1017704023.db2.gz HRVJWKZQPKGASM-VIFPVBQESA-N -1 0 305.290 -0.432 20 0 DBADRM Cc1ccn(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])n1 ZINC001600595849 1017704097 /nfs/dbraw/zinc/70/40/97/1017704097.db2.gz PMMOWQGWSMEZSY-UHFFFAOYSA-N -1 0 310.354 -0.563 20 0 DBADRM Cc1cn(C)nc1NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001600612189 1017704223 /nfs/dbraw/zinc/70/42/23/1017704223.db2.gz BOIOCSILMGVORT-VIFPVBQESA-N -1 0 310.310 -0.631 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)c1 ZINC001600624167 1017704659 /nfs/dbraw/zinc/70/46/59/1017704659.db2.gz MCTLSAHUOWGKIE-IUCAKERBSA-N -1 0 315.351 -0.165 20 0 DBADRM Cc1cn2ccnc(C(=O)N3CC(=O)N(C)C[C@H]3C(=O)[O-])c2n1 ZINC001600614590 1017704761 /nfs/dbraw/zinc/70/47/61/1017704761.db2.gz FRHAXMOYYPIXCJ-VIFPVBQESA-N -1 0 317.305 -0.595 20 0 DBADRM Cc1cn2ccnc(C(=O)N3CC(=O)N(C)C[C@@H]3C(=O)[O-])c2n1 ZINC001600614589 1017704836 /nfs/dbraw/zinc/70/48/36/1017704836.db2.gz FRHAXMOYYPIXCJ-SECBINFHSA-N -1 0 317.305 -0.595 20 0 DBADRM Cc1cnc(CCNC(=O)NCCn2cc(C(=O)[O-])nn2)cn1 ZINC001600619804 1017704847 /nfs/dbraw/zinc/70/48/47/1017704847.db2.gz NMCLIMYVDKSHLY-UHFFFAOYSA-N -1 0 319.325 -0.383 20 0 DBADRM Cc1cnc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cn1 ZINC001600617201 1017704888 /nfs/dbraw/zinc/70/48/88/1017704888.db2.gz XOUVALJDEDSQRR-NTYHVHHESA-N -1 0 318.333 -0.092 20 0 DBADRM Cc1cn2nnc(C(=O)N[C@H](CC(F)F)C(=O)[O-])c2c(=O)[nH]1 ZINC001600615660 1017705011 /nfs/dbraw/zinc/70/50/11/1017705011.db2.gz ZNJFTJHEQXZUHP-RXMQYKEDSA-N -1 0 315.236 -0.023 20 0 DBADRM Cc1cn2c(ncc(C(=O)N3CC(O)(C(=O)[O-])C3)c2=O)s1 ZINC001600613975 1017705046 /nfs/dbraw/zinc/70/50/46/1017705046.db2.gz PLJIZMMEQLIRDH-UHFFFAOYSA-N -1 0 309.303 -0.664 20 0 DBADRM Cc1cnc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])o1 ZINC001600620489 1017705443 /nfs/dbraw/zinc/70/54/43/1017705443.db2.gz KKTXPVDHSZZCBR-IUCAKERBSA-N -1 0 308.294 -0.438 20 0 DBADRM Cc1cnc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(O)c1 ZINC001600616107 1017705465 /nfs/dbraw/zinc/70/54/65/1017705465.db2.gz LOFICBKHLHUOGG-QMMMGPOBSA-N -1 0 314.319 -0.581 20 0 DBADRM Cc1cnc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)s1 ZINC001600624327 1017705552 /nfs/dbraw/zinc/70/55/52/1017705552.db2.gz RQVMYDILSDXLNJ-HTQZYQBOSA-N -1 0 313.335 -0.316 20 0 DBADRM Cc1cnc2c(cnn2CC(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001600626368 1017705640 /nfs/dbraw/zinc/70/56/40/1017705640.db2.gz KEZFJPRPWGCTSC-UHFFFAOYSA-N -1 0 305.294 -0.943 20 0 DBADRM Cc1cnc(CCNS(=O)(=O)N(C)CCC(=O)[O-])cn1 ZINC001600620622 1017706002 /nfs/dbraw/zinc/70/60/02/1017706002.db2.gz MEZPKPLPJHBVMM-UHFFFAOYSA-N -1 0 302.356 -0.432 20 0 DBADRM Cc1cnc(CCNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)cn1 ZINC001600619881 1017706012 /nfs/dbraw/zinc/70/60/12/1017706012.db2.gz RENBZGNYAXPSEO-LBPRGKRZSA-N -1 0 320.349 -0.233 20 0 DBADRM Cc1cnc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)s1 ZINC001600624330 1017706118 /nfs/dbraw/zinc/70/61/18/1017706118.db2.gz RQVMYDILSDXLNJ-YUMQZZPRSA-N -1 0 313.335 -0.316 20 0 DBADRM Cc1cncn1CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001600632398 1017706420 /nfs/dbraw/zinc/70/64/20/1017706420.db2.gz KMAZVRXJQAWNND-NSHDSACASA-N -1 0 310.354 -0.077 20 0 DBADRM Cc1cnn(C)c1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001600635552 1017706446 /nfs/dbraw/zinc/70/64/46/1017706446.db2.gz QTTZDLWRANIFCE-UHFFFAOYSA-N -1 0 304.310 -0.519 20 0 DBADRM Cc1cnn(CCC(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001600636469 1017706947 /nfs/dbraw/zinc/70/69/47/1017706947.db2.gz FEGJOPNSFQYQPF-NEPJUHHUSA-N -1 0 320.349 -0.371 20 0 DBADRM Cc1cnccc1CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001600630261 1017707010 /nfs/dbraw/zinc/70/70/10/1017707010.db2.gz RMDFTWNEEKTITF-LLVKDONJSA-N -1 0 312.347 -0.357 20 0 DBADRM Cc1cncc(CN2CC(O)(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001600627911 1017707162 /nfs/dbraw/zinc/70/71/62/1017707162.db2.gz UBMPNSGNFKQUGG-OLZOCXBDSA-N -1 0 319.361 -0.226 20 0 DBADRM Cc1cncc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)c1 ZINC001600627819 1017707594 /nfs/dbraw/zinc/70/75/94/1017707594.db2.gz DCRUGPBCBASVSY-UHFFFAOYSA-N -1 0 300.336 -0.010 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)n1 ZINC001600628726 1017708056 /nfs/dbraw/zinc/70/80/56/1017708056.db2.gz PMQDAJZWLFAGES-ZYHUDNBSSA-N -1 0 320.349 -0.235 20 0 DBADRM Cc1conc1CS(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001600644902 1017708555 /nfs/dbraw/zinc/70/85/55/1017708555.db2.gz IGKIPRURUNKJHO-NSHDSACASA-N -1 0 318.351 -0.030 20 0 DBADRM Cc1coc(C(=O)NC[C@@H](O)CNc2ccnc(C(=O)[O-])n2)c1 ZINC001600640667 1017708569 /nfs/dbraw/zinc/70/85/69/1017708569.db2.gz YCANNVHTWAWTID-VIFPVBQESA-N -1 0 320.305 -0.299 20 0 DBADRM Cc1csc(C(=O)[O-])c1NC(=O)C(=O)NC1(C(N)=O)CC1 ZINC001600649204 1017708945 /nfs/dbraw/zinc/70/89/45/1017708945.db2.gz HLRSSPVHJOEHSV-UHFFFAOYSA-N -1 0 311.319 -0.173 20 0 DBADRM Cc1csc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n1 ZINC001600659984 1017709225 /nfs/dbraw/zinc/70/92/25/1017709225.db2.gz JGJYTJBSNHINOA-HTQZYQBOSA-N -1 0 313.335 -0.316 20 0 DBADRM Cc1cocc1C(=O)N(CCO)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001600643305 1017709372 /nfs/dbraw/zinc/70/93/72/1017709372.db2.gz CUKUTGDXJOVSBY-QWRGUYRKSA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1coc(C(=O)NC[C@H](O)CNc2ccnc(C(=O)[O-])n2)c1 ZINC001600640666 1017709589 /nfs/dbraw/zinc/70/95/89/1017709589.db2.gz YCANNVHTWAWTID-SECBINFHSA-N -1 0 320.305 -0.299 20 0 DBADRM Cc1conc1NC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001600645534 1017709994 /nfs/dbraw/zinc/70/99/94/1017709994.db2.gz SCFMWXMLDVZXGB-SNVBAGLBSA-N -1 0 324.337 -0.071 20 0 DBADRM Cc1csc(NC(=O)C(=O)NCc2nnn(C)n2)c1C(=O)[O-] ZINC001600662176 1017711390 /nfs/dbraw/zinc/71/13/90/1017711390.db2.gz USFFVUYESRLAHT-UHFFFAOYSA-N -1 0 324.322 -0.467 20 0 DBADRM Cc1n[nH]c(C)c1CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001600670405 1017711831 /nfs/dbraw/zinc/71/18/31/1017711831.db2.gz BMVLZXFHWZZJDK-JTQLQIEISA-N -1 0 308.338 -0.034 20 0 DBADRM Cc1[nH]nc(Cl)c1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001600670708 1017712254 /nfs/dbraw/zinc/71/22/54/1017712254.db2.gz KBYCZIDDVBTOCS-ZCFIWIBFSA-N -1 0 300.702 -0.213 20 0 DBADRM Cc1nnc(CNC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CCC2)[nH]1 ZINC001600670213 1017712396 /nfs/dbraw/zinc/71/23/96/1017712396.db2.gz CKPTYFUEEQTPST-VHSXEESVSA-N -1 0 307.354 -0.038 20 0 DBADRM Cc1nc(C)c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])[nH]1 ZINC001600683005 1017716223 /nfs/dbraw/zinc/71/62/23/1017716223.db2.gz SRUQXYSMLQVGEC-QMMMGPOBSA-N -1 0 301.324 -0.650 20 0 DBADRM Cc1nc(-c2ccn(C)n2)sc1CC(=O)NC[C@H](O)C(=O)[O-] ZINC001600680271 1017716278 /nfs/dbraw/zinc/71/62/78/1017716278.db2.gz IWXLPPWIYFXAFB-VIFPVBQESA-N -1 0 324.362 -0.044 20 0 DBADRM Cc1nc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c(C)o1 ZINC001600683898 1017716307 /nfs/dbraw/zinc/71/63/07/1017716307.db2.gz LKHKEAKRUJYZHQ-VHSXEESVSA-N -1 0 307.306 -0.047 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001600675799 1017716389 /nfs/dbraw/zinc/71/63/89/1017716389.db2.gz QJVFNNQVGMYHAP-SSDOTTSWSA-N -1 0 319.325 -0.499 20 0 DBADRM Cc1nc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c[nH]1 ZINC001600682052 1017717095 /nfs/dbraw/zinc/71/70/95/1017717095.db2.gz DQWSXXILHMJIDI-VHSXEESVSA-N -1 0 306.322 -0.278 20 0 DBADRM Cc1nc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c(=O)[nH]c1C ZINC001600682364 1017717217 /nfs/dbraw/zinc/71/72/17/1017717217.db2.gz KDMJKURFLNUZLR-AWEZNQCLSA-N -1 0 320.305 -0.168 20 0 DBADRM Cc1nc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nn1-c1nc[nH]n1 ZINC001600682828 1017717262 /nfs/dbraw/zinc/71/72/62/1017717262.db2.gz TWLMOZAUSSPPKL-IONNQARKSA-N -1 0 319.325 -0.123 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001600675904 1017717394 /nfs/dbraw/zinc/71/73/94/1017717394.db2.gz VTXQALRXRQQQTG-UHFFFAOYSA-N -1 0 305.298 -0.120 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001600675537 1017717781 /nfs/dbraw/zinc/71/77/81/1017717781.db2.gz DVTWASXSXLWUEN-QMMMGPOBSA-N -1 0 317.309 -0.390 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)nn1C ZINC001600710881 1017718237 /nfs/dbraw/zinc/71/82/37/1017718237.db2.gz UIVLBGGCYHBWHH-SECBINFHSA-N -1 0 321.337 -0.225 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N3CC4CC3(C(=O)[O-])C4)nn2)no1 ZINC001600707038 1017719615 /nfs/dbraw/zinc/71/96/15/1017719615.db2.gz YKVVTZQBVYAYSP-UHFFFAOYSA-N -1 0 318.293 -0.293 20 0 DBADRM Cc1ncc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])c(N)n1 ZINC001600733362 1017720604 /nfs/dbraw/zinc/72/06/04/1017720604.db2.gz GMSFOKCSBWLBSE-SECBINFHSA-N -1 0 310.310 -0.297 20 0 DBADRM Cc1ncc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1C ZINC001600733485 1017721243 /nfs/dbraw/zinc/72/12/43/1017721243.db2.gz QLQKVYMDKGNTQW-OAHLLOKOSA-N -1 0 322.365 -0.270 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)CC2 ZINC001600731761 1017721319 /nfs/dbraw/zinc/72/13/19/1017721319.db2.gz QGMISQXZJRGVPR-LPEHRKFASA-N -1 0 314.367 -0.316 20 0 DBADRM Cc1ncc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1C ZINC001600733586 1017721328 /nfs/dbraw/zinc/72/13/28/1017721328.db2.gz HHBGSBVVTNSDJH-UWVGGRQHSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1nc2ccnn2c(C)c1CCC(=O)N[C@H](CO)C(=O)[O-] ZINC001600729646 1017721372 /nfs/dbraw/zinc/72/13/72/1017721372.db2.gz AXBAZWLYPFXPRR-LLVKDONJSA-N -1 0 306.322 -0.160 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001600732122 1017721535 /nfs/dbraw/zinc/72/15/35/1017721535.db2.gz PGJJFSYEQGRMNG-KYZUINATSA-N -1 0 318.337 -0.155 20 0 DBADRM Cc1nn(C)c2nc(C)c(CC(=O)N[C@@H](CO)C(=O)[O-])c(C)c12 ZINC001600723199 1017721573 /nfs/dbraw/zinc/72/15/73/1017721573.db2.gz KSZADNHRUPGONI-NSHDSACASA-N -1 0 320.349 -0.002 20 0 DBADRM Cc1ncc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001600736404 1017721961 /nfs/dbraw/zinc/72/19/61/1017721961.db2.gz YWJMKBYQGCNXNW-VXGBXAGGSA-N -1 0 320.349 -0.831 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)cc1C(=O)[O-] ZINC001600745237 1017722230 /nfs/dbraw/zinc/72/22/30/1017722230.db2.gz NTLYNXJMGRZAGD-MNOVXSKESA-N -1 0 316.335 -0.796 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C)cc1C(=O)[O-] ZINC001600746607 1017722457 /nfs/dbraw/zinc/72/24/57/1017722457.db2.gz AJEGSVCRLDROME-QMMMGPOBSA-N -1 0 315.351 -0.157 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)N(CC(=O)[O-])C1CC1 ZINC001600747310 1017722906 /nfs/dbraw/zinc/72/29/06/1017722906.db2.gz LEWLFDGGKJTTFL-UHFFFAOYSA-N -1 0 313.335 -0.273 20 0 DBADRM Cc1nccc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600749049 1017723173 /nfs/dbraw/zinc/72/31/73/1017723173.db2.gz HPXQHFYSXXOENA-WDEREUQCSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1ncn(C)c1C(=O)NCCCNc1ccnc(C(=O)[O-])n1 ZINC001600758809 1017724085 /nfs/dbraw/zinc/72/40/85/1017724085.db2.gz WSXFBDNYFMXZPI-UHFFFAOYSA-N -1 0 318.337 -0.129 20 0 DBADRM Cc1nccnc1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001600755452 1017724569 /nfs/dbraw/zinc/72/45/69/1017724569.db2.gz BGUJQIFKXKANJJ-QPUJVOFHSA-N -1 0 313.335 -0.597 20 0 DBADRM Cc1ncccc1NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001600754008 1017724660 /nfs/dbraw/zinc/72/46/60/1017724660.db2.gz PRUOUCLZWIXJQT-NXEZZACHSA-N -1 0 307.306 -0.377 20 0 DBADRM Cc1nccn1CC(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001600754717 1017724834 /nfs/dbraw/zinc/72/48/34/1017724834.db2.gz KZLWLHAPGZTDQD-UHFFFAOYSA-N -1 0 304.310 -0.092 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001600770858 1017726538 /nfs/dbraw/zinc/72/65/38/1017726538.db2.gz OWYPSWVANATNHY-LLVKDONJSA-N -1 0 321.337 -0.049 20 0 DBADRM Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@H](CO)C(=O)[O-] ZINC001600767327 1017727110 /nfs/dbraw/zinc/72/71/10/1017727110.db2.gz VBJDBXNTFOMRSO-SECBINFHSA-N -1 0 307.310 -0.602 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)OCCn1cc(C(=O)[O-])nn1 ZINC001600771697 1017727129 /nfs/dbraw/zinc/72/71/29/1017727129.db2.gz ZDPPCJMDOXPRBA-UHFFFAOYSA-N -1 0 323.309 -0.051 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](O)CNC(=O)NC[C@H](F)C(=O)[O-] ZINC001600768936 1017727414 /nfs/dbraw/zinc/72/74/14/1017727414.db2.gz GOQOKIFIVWJVQN-DTWKUNHWSA-N -1 0 302.306 -0.208 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001600768294 1017727269 /nfs/dbraw/zinc/72/72/69/1017727269.db2.gz OQOODZBHNRMNAU-MWLCHTKSSA-N -1 0 309.322 -0.344 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001600768904 1017727436 /nfs/dbraw/zinc/72/74/36/1017727436.db2.gz DVJZVSJYVYGYAL-NSHDSACASA-N -1 0 321.337 -0.219 20 0 DBADRM Cc1nn(C)cc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600775728 1017728023 /nfs/dbraw/zinc/72/80/23/1017728023.db2.gz AQJRWPWNLQQBTH-NXEZZACHSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@@]2(C(=O)[O-])CCOC2)C1 ZINC001600777556 1017728042 /nfs/dbraw/zinc/72/80/42/1017728042.db2.gz JNXCDCNWBGWISS-FZMZJTMJSA-N -1 0 322.321 -0.419 20 0 DBADRM Cc1nn(C)c(NS(=O)(=O)[C@@H](C)C(=O)N(C)C)c1C(=O)[O-] ZINC001600774573 1017728517 /nfs/dbraw/zinc/72/85/17/1017728517.db2.gz SLJYHGGNDYECDR-ZETCQYMHSA-N -1 0 318.355 -0.355 20 0 DBADRM Cc1nn(C)cc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600776880 1017729074 /nfs/dbraw/zinc/72/90/74/1017729074.db2.gz ZEGJVQQFFZMUPC-MNOVXSKESA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@@H]1NC(=O)O[C@@H]1C ZINC001600780858 1017730109 /nfs/dbraw/zinc/73/01/09/1017730109.db2.gz JFDQHRBEZNMPOM-LDYMZIIASA-N -1 0 310.310 -0.302 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)CN1C(=O)CCC1=O ZINC001600781367 1017730120 /nfs/dbraw/zinc/73/01/20/1017730120.db2.gz QKXMZFSQHHYSOX-UHFFFAOYSA-N -1 0 322.321 -0.650 20 0 DBADRM Cc1nn(CCS(=O)(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c(=O)o1 ZINC001600787559 1017730559 /nfs/dbraw/zinc/73/05/59/1017730559.db2.gz IQEMRLDFXQBZAM-SECBINFHSA-N -1 0 317.323 -0.762 20 0 DBADRM Cc1nn(CC(=O)NC(C)(C)c2cc(C(=O)[O-])on2)c(=O)n1C ZINC001600781247 1017730882 /nfs/dbraw/zinc/73/08/82/1017730882.db2.gz ZWDJVTXZZGVVNE-UHFFFAOYSA-N -1 0 323.309 -0.372 20 0 DBADRM Cc1nnc(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])s1 ZINC001600792366 1017731329 /nfs/dbraw/zinc/73/13/29/1017731329.db2.gz MSYMAXPRSTVBOW-SSDOTTSWSA-N -1 0 319.364 -0.901 20 0 DBADRM Cc1nnc(CC(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)o1 ZINC001600792578 1017731966 /nfs/dbraw/zinc/73/19/66/1017731966.db2.gz QEZMYDVMZZTMLO-UWVGGRQHSA-N -1 0 322.321 -0.688 20 0 DBADRM Cc1nnc(COCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])s1 ZINC001600796568 1017732134 /nfs/dbraw/zinc/73/21/34/1017732134.db2.gz NWAKGRIYIYNVLX-OIBJUYFYSA-N -1 0 301.324 -0.279 20 0 DBADRM Cc1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CCS(C)(=O)=O ZINC001600796960 1017732302 /nfs/dbraw/zinc/73/23/02/1017732302.db2.gz CQHCKAXESIULTN-SECBINFHSA-N -1 0 302.356 -0.458 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccnn1C)CC2 ZINC001600799969 1017732674 /nfs/dbraw/zinc/73/26/74/1017732674.db2.gz IQSREDIBBPBVQQ-CABZTGNLSA-N -1 0 318.337 -0.175 20 0 DBADRM Cc1nnccc1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600799602 1017732722 /nfs/dbraw/zinc/73/27/22/1017732722.db2.gz AUVKXOFABFXLMK-QWRGUYRKSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1nnccc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600799585 1017732970 /nfs/dbraw/zinc/73/29/70/1017732970.db2.gz AGCKICHKPYSVRT-VXGBXAGGSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1nnc(CNC(=O)Cn2cc(C(=O)[O-])nn2)n1C1CC1 ZINC001600795648 1017733124 /nfs/dbraw/zinc/73/31/24/1017733124.db2.gz CMLUYKLDALFSAS-UHFFFAOYSA-N -1 0 305.298 -0.472 20 0 DBADRM Cc1nnccc1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001600800348 1017733506 /nfs/dbraw/zinc/73/35/06/1017733506.db2.gz SIGRSXOUQLBVPB-JOYOIKCWSA-N -1 0 313.335 -0.597 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCc2nc(C)no2)c(C(=O)[O-])[nH]1 ZINC001600812210 1017733816 /nfs/dbraw/zinc/73/38/16/1017733816.db2.gz BYTRKFUOKXRNSH-UHFFFAOYSA-N -1 0 307.266 -0.032 20 0 DBADRM Cc1nnc2ccc(C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)cn12 ZINC001600801267 1017733886 /nfs/dbraw/zinc/73/38/86/1017733886.db2.gz NIQMHVHFHDLPOG-WDEREUQCSA-N -1 0 304.306 -0.055 20 0 DBADRM Cc1noc(C)c1NC(=O)C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001600810354 1017734089 /nfs/dbraw/zinc/73/40/89/1017734089.db2.gz LQXOSILWHNEQIZ-CYBMUJFWSA-N -1 0 311.294 -0.020 20 0 DBADRM Cc1noc(C)c1CC(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600808718 1017734100 /nfs/dbraw/zinc/73/41/00/1017734100.db2.gz YCIDZOUUUMJXIE-NEPJUHHUSA-N -1 0 321.333 -0.118 20 0 DBADRM Cc1nnccc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600800610 1017734209 /nfs/dbraw/zinc/73/42/09/1017734209.db2.gz YKZGGNICLSIGBO-CNVPUSNMSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1noc(C)c1CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600808730 1017734526 /nfs/dbraw/zinc/73/45/26/1017734526.db2.gz YCIDZOUUUMJXIE-VXGBXAGGSA-N -1 0 321.333 -0.118 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)n1 ZINC001600812774 1017734642 /nfs/dbraw/zinc/73/46/42/1017734642.db2.gz IMCBLWVCHUOUFQ-APPZFPTMSA-N -1 0 310.310 -0.642 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)[C@H](C)CC(=O)[O-])C2 ZINC001600800770 1017734661 /nfs/dbraw/zinc/73/46/61/1017734661.db2.gz BYNDDPIYRGAADC-PSASIEDQSA-N -1 0 323.353 -0.504 20 0 DBADRM Cc1nocc1S(=O)(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001600818919 1017735471 /nfs/dbraw/zinc/73/54/71/1017735471.db2.gz ZHTVGPHLYIDMTF-VIFPVBQESA-N -1 0 303.340 -0.380 20 0 DBADRM C[C@H](CN(C)CCF)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001498325857 1017735518 /nfs/dbraw/zinc/73/55/18/1017735518.db2.gz RXISEJOEHJEDTM-SECBINFHSA-N -1 0 303.338 -0.125 20 0 DBADRM Cc1noc(CCCNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1 ZINC001600813248 1017735748 /nfs/dbraw/zinc/73/57/48/1017735748.db2.gz SMOXYGOJCYEBNI-SNVBAGLBSA-N -1 0 324.337 -0.250 20 0 DBADRM Cc1nocc1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600816384 1017735795 /nfs/dbraw/zinc/73/57/95/1017735795.db2.gz XDAKYPUWVZSGOQ-VHSXEESVSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1nonc1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600817601 1017735816 /nfs/dbraw/zinc/73/58/16/1017735816.db2.gz JALAINBTIZWJJX-RGOKHQFPSA-N -1 0 322.321 -0.277 20 0 DBADRM Cc1nonc1C(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001600817550 1017736256 /nfs/dbraw/zinc/73/62/56/1017736256.db2.gz GXWQGDQFOMSSHU-LURJTMIESA-N -1 0 306.282 -0.481 20 0 DBADRM Cc1oc(C(=O)[O-])cc1CN1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001600830577 1017737652 /nfs/dbraw/zinc/73/76/52/1017737652.db2.gz ZXKXTYJELRXHSS-JTQLQIEISA-N -1 0 315.351 -0.380 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC001600826888 1017737950 /nfs/dbraw/zinc/73/79/50/1017737950.db2.gz IPHLZOGRZDVTAQ-UHFFFAOYSA-N -1 0 307.262 -0.064 20 0 DBADRM Cc1oc(S(=O)(=O)NCCN2CCOCC2)cc1C(=O)[O-] ZINC001600857984 1017739038 /nfs/dbraw/zinc/73/90/38/1017739038.db2.gz PMMGKOUUJCDEHV-UHFFFAOYSA-N -1 0 318.351 -0.103 20 0 DBADRM Cc1sc(NC(=O)C(=O)NC[C@@H](O)CO)c(C(=O)[O-])c1C ZINC001600884000 1017739258 /nfs/dbraw/zinc/73/92/58/1017739258.db2.gz XTPQSPAULPOWJV-SSDOTTSWSA-N -1 0 316.335 -0.529 20 0 DBADRM Cc1oc(S(=O)(=O)N2CC[C@H](O)[C@@H](CO)C2)cc1C(=O)[O-] ZINC001600858090 1017739396 /nfs/dbraw/zinc/73/93/96/1017739396.db2.gz UTZCYLGZZKXRRF-SCZZXKLOSA-N -1 0 319.335 -0.350 20 0 DBADRM CC1SC(C(=O)NCCC(=O)NCCC(=O)[O-])=NC1=O ZINC001600865750 1017739420 /nfs/dbraw/zinc/73/94/20/1017739420.db2.gz RDOSRBRCDSSPTM-UHFFFAOYSA-N -1 0 301.324 -0.132 20 0 DBADRM Cn1c(=O)[nH]c2ccc(C(=O)N3CC[C@](O)(C(=O)[O-])C3)cc21 ZINC001600896198 1017740457 /nfs/dbraw/zinc/74/04/57/1017740457.db2.gz RMQPCAJRUODNRA-CQSZACIVSA-N -1 0 305.290 -0.060 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NCc2ccoc2C(=O)[O-])c1=O ZINC001600896175 1017740796 /nfs/dbraw/zinc/74/07/96/1017740796.db2.gz GXGIXIDIQHWNRQ-UHFFFAOYSA-N -1 0 307.262 -0.845 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCC(OCC(N)=O)CC1 ZINC001600902187 1017741269 /nfs/dbraw/zinc/74/12/69/1017741269.db2.gz GDHRIYBURNVMQR-UHFFFAOYSA-N -1 0 309.322 -0.170 20 0 DBADRM Cn1c2ccccc2n(CCC(=O)N[C@@H](CO)C(=O)[O-])c1=O ZINC001600897119 1017741384 /nfs/dbraw/zinc/74/13/84/1017741384.db2.gz HGJBFLAIXSRIFN-VIFPVBQESA-N -1 0 307.306 -0.708 20 0 DBADRM Cn1c2ncn(Cc3occc3C(=O)[O-])c2c(=O)n(C)c1=O ZINC001600895032 1017741439 /nfs/dbraw/zinc/74/14/39/1017741439.db2.gz OHVAOMAKFXISSN-UHFFFAOYSA-N -1 0 304.262 -0.227 20 0 DBADRM Cn1c(=O)cc(N2CC[C@H](NC(=O)CCCC(=O)[O-])C2)[nH]c1=O ZINC001600896051 1017741513 /nfs/dbraw/zinc/74/15/13/1017741513.db2.gz ILCPHSZTHLRHMI-VIFPVBQESA-N -1 0 324.337 -0.564 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCC(=O)NCC12COC2 ZINC001600903263 1017741581 /nfs/dbraw/zinc/74/15/81/1017741581.db2.gz UKEBYIDDQIYHGX-UHFFFAOYSA-N -1 0 307.306 -0.546 20 0 DBADRM Cn1c(=O)cccc1C(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600900152 1017741793 /nfs/dbraw/zinc/74/17/93/1017741793.db2.gz JDBHQMWIXCORKG-UWVGGRQHSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N[C@@H](CO)CN1CCOCC1 ZINC001600903623 1017741918 /nfs/dbraw/zinc/74/19/18/1017741918.db2.gz HUXXSQXSPOTLSE-SNVBAGLBSA-N -1 0 311.338 -0.854 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCCS(=O)(=O)CC1 ZINC001600905853 1017742529 /nfs/dbraw/zinc/74/25/29/1017742529.db2.gz UJGSKMXZLIMVGU-UHFFFAOYSA-N -1 0 300.336 -0.016 20 0 DBADRM Cn1c(CCC(N)=O)nnc1SC[C@@H]1CC(C(=O)[O-])=NO1 ZINC001600911445 1017743085 /nfs/dbraw/zinc/74/30/85/1017743085.db2.gz IGWXPPUIUDYDPM-LURJTMIESA-N -1 0 313.339 -0.445 20 0 DBADRM Cn1c([C@@H]2CCNC(=O)C2)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001600912110 1017743810 /nfs/dbraw/zinc/74/38/10/1017743810.db2.gz VXDAVQFDVFUDRN-OQPBUACISA-N -1 0 311.317 -0.188 20 0 DBADRM Cn1c(CN2CCC[C@@H](O)C2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001600915267 1017744022 /nfs/dbraw/zinc/74/40/22/1017744022.db2.gz XONGGEUSNOEKAU-GHMZBOCLSA-N -1 0 309.370 -0.317 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cn(C)ccc1=O ZINC001498335830 1017744160 /nfs/dbraw/zinc/74/41/60/1017744160.db2.gz JASGEYDCNLLYPX-VIFPVBQESA-N -1 0 320.353 -0.541 20 0 DBADRM Cn1c(C[C@@H]2CCNC(=O)C2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001600910821 1017744179 /nfs/dbraw/zinc/74/41/79/1017744179.db2.gz AKJHZWPGXPOUQP-UWVGGRQHSA-N -1 0 307.354 -0.205 20 0 DBADRM Cn1c(C2=NO[C@@H](CO)C2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001600908844 1017744334 /nfs/dbraw/zinc/74/43/34/1017744334.db2.gz WJLNTHGZFOWZAY-SECBINFHSA-N -1 0 309.326 -0.399 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)NCCOCC(=O)[O-] ZINC001600919877 1017745381 /nfs/dbraw/zinc/74/53/81/1017745381.db2.gz HGEUWYLTMRLQJL-UHFFFAOYSA-N -1 0 303.344 -0.953 20 0 DBADRM Cn1cc(C(=O)CCC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cn1 ZINC001600927760 1017745590 /nfs/dbraw/zinc/74/55/90/1017745590.db2.gz CNWYHZCDFKLOFU-KOLCDFICSA-N -1 0 309.322 -0.323 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001600921573 1017745792 /nfs/dbraw/zinc/74/57/92/1017745792.db2.gz FNDSPMHZRMIHLU-SVRRBLITSA-N -1 0 323.758 -0.328 20 0 DBADRM Cn1c(N2CCO[C@H](CC(=O)[O-])C2)nnc1C1(CO)CCC1 ZINC001600919513 1017745980 /nfs/dbraw/zinc/74/59/80/1017745980.db2.gz ATBDNKTWPVKNHU-SNVBAGLBSA-N -1 0 310.354 -0.091 20 0 DBADRM Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)ccc1=O ZINC001600931042 1017746712 /nfs/dbraw/zinc/74/67/12/1017746712.db2.gz FSPXYRKQIIKDOH-MNOVXSKESA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1cc(C(=O)NCC2(Nc3ncc(C(=O)[O-])cn3)CC2)nn1 ZINC001600930205 1017747944 /nfs/dbraw/zinc/74/79/44/1017747944.db2.gz RKNLNIYXPQTBMJ-UHFFFAOYSA-N -1 0 317.309 -0.322 20 0 DBADRM Cn1cc(C(=O)NCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C2CC2)nn1 ZINC001600930950 1017748095 /nfs/dbraw/zinc/74/80/95/1017748095.db2.gz WOSDFQLKBSEEFI-NXEZZACHSA-N -1 0 321.337 -0.743 20 0 DBADRM Cn1cc(C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]c1=O ZINC001600928938 1017748308 /nfs/dbraw/zinc/74/83/08/1017748308.db2.gz KNWKCNJOYCZDBX-DTWKUNHWSA-N -1 0 322.321 -0.965 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)CCCCCS(N)(=O)=O)n1 ZINC001600933888 1017748830 /nfs/dbraw/zinc/74/88/30/1017748830.db2.gz RZNVZVSJZBDGNB-UHFFFAOYSA-N -1 0 318.355 -0.094 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N[C@]1(C)CCOC1=O ZINC001600940398 1017749553 /nfs/dbraw/zinc/74/95/53/1017749553.db2.gz RKYRGAWPKOMGLM-LLVKDONJSA-N -1 0 302.308 -0.293 20 0 DBADRM Cn1cc(/C=C(/CN2CCC(=O)CC2)C(=O)[O-])c(=O)n(C)c1=O ZINC001600946680 1017749808 /nfs/dbraw/zinc/74/98/08/1017749808.db2.gz OJUJVFNFXYBLPS-XFFZJAGNSA-N -1 0 321.333 -0.783 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CCCn2ncnc21 ZINC001600940362 1017749854 /nfs/dbraw/zinc/74/98/54/1017749854.db2.gz RDNHBBXWKKAPJI-UHFFFAOYSA-N -1 0 311.323 -0.086 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])cn1 ZINC001600942230 1017750204 /nfs/dbraw/zinc/75/02/04/1017750204.db2.gz CJXKBTYGWXCBJB-YPMHNXCESA-N -1 0 319.317 -0.029 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)N[C@]3(C(=O)[O-])CCOC3)C2)cn1 ZINC001600944728 1017750459 /nfs/dbraw/zinc/75/04/59/1017750459.db2.gz KALMBNXIWOXKLI-GXFFZTMASA-N -1 0 308.294 -0.727 20 0 DBADRM Cn1cc(C[C@H](CO)CNC(=O)Cn2cc(C(=O)[O-])cn2)cn1 ZINC001600946501 1017750902 /nfs/dbraw/zinc/75/09/02/1017750902.db2.gz GTWTXTLREKNDOB-NSHDSACASA-N -1 0 321.337 -0.718 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)Nc2cc(C(=O)[O-])n(C)n2)cn1 ZINC001600942384 1017751222 /nfs/dbraw/zinc/75/12/22/1017751222.db2.gz FNKKRIIIXDHUHR-VIFPVBQESA-N -1 0 308.298 -0.293 20 0 DBADRM Cn1cc([C@H](O)C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)cn1 ZINC001600941596 1017751267 /nfs/dbraw/zinc/75/12/67/1017751267.db2.gz XDKOIIPPWBZFKS-NSHDSACASA-N -1 0 322.321 -0.324 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N[C@]2(CC(=O)[O-])CCCOC2)cn1 ZINC001600946918 1017752864 /nfs/dbraw/zinc/75/28/64/1017752864.db2.gz JBFLUSFOTSTYJV-FZMZJTMJSA-N -1 0 311.338 -0.536 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@@H]2CCCCNC2=O)cc1C(=O)[O-] ZINC001600959479 1017754303 /nfs/dbraw/zinc/75/43/03/1017754303.db2.gz RLPOZIZDUIBVIM-SECBINFHSA-N -1 0 322.321 -0.553 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(C2CC2)n1 ZINC001600958972 1017754372 /nfs/dbraw/zinc/75/43/72/1017754372.db2.gz MMRBKBHLTTWYBJ-SNVBAGLBSA-N -1 0 322.321 -0.452 20 0 DBADRM Cn1cc(Cn2cc(CN3CCCC[C@H]3C(=O)[O-])nn2)nn1 ZINC001600957509 1017755087 /nfs/dbraw/zinc/75/50/87/1017755087.db2.gz BZTYTXXBLIIGQY-LBPRGKRZSA-N -1 0 305.342 -0.106 20 0 DBADRM Cn1cc(CNC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)cn1 ZINC001600953312 1017755203 /nfs/dbraw/zinc/75/52/03/1017755203.db2.gz AKMIXNYCVWQSBM-SNVBAGLBSA-N -1 0 319.325 -0.134 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@@H](CO)C2CCC2)cc1C(=O)[O-] ZINC001600958356 1017755715 /nfs/dbraw/zinc/75/57/15/1017755715.db2.gz FGEKLPNCJPYRFG-JTQLQIEISA-N -1 0 309.322 -0.061 20 0 DBADRM Cn1cc(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)nn1 ZINC001600953613 1017755721 /nfs/dbraw/zinc/75/57/21/1017755721.db2.gz HHRCWAIQAUZWDX-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cn1cc(NC(=O)C(=O)Nc2cccn(C)c2=O)cc1C(=O)[O-] ZINC001600961204 1017756243 /nfs/dbraw/zinc/75/62/43/1017756243.db2.gz JARZSLCTCIQPIC-UHFFFAOYSA-N -1 0 318.289 -0.001 20 0 DBADRM Cn1cc(NC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])ccc1=O ZINC001600962941 1017756272 /nfs/dbraw/zinc/75/62/72/1017756272.db2.gz PSWAAJJAVNNCKX-JTQLQIEISA-N -1 0 322.321 -0.418 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)NCC3(C(=O)[O-])CC3)CC2=O)cn1 ZINC001600961804 1017756441 /nfs/dbraw/zinc/75/64/41/1017756441.db2.gz MFITZJOFHVJCBS-VIFPVBQESA-N -1 0 306.322 -0.246 20 0 DBADRM Cn1cc(NC(=O)c2cncc(C(=O)[O-])c2)c(=O)n(C)c1=O ZINC001600965429 1017756571 /nfs/dbraw/zinc/75/65/71/1017756571.db2.gz IKEAPUMLCYIJAY-UHFFFAOYSA-N -1 0 304.262 -0.571 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])ccc1=O ZINC001600960326 1017756870 /nfs/dbraw/zinc/75/68/70/1017756870.db2.gz ZQMTVGRIFQESOG-PSLIRLAXSA-N -1 0 319.317 -0.211 20 0 DBADRM Cn1cc(NC(=O)NCCCS(N)(=O)=O)cc1C(=O)[O-] ZINC001600963753 1017757345 /nfs/dbraw/zinc/75/73/45/1017757345.db2.gz VBNLCAMVQCMFHZ-UHFFFAOYSA-N -1 0 304.328 -0.477 20 0 DBADRM Cn1cc(NC(=O)C2(n3cnnn3)CCOCC2)cc1C(=O)[O-] ZINC001600961473 1017757853 /nfs/dbraw/zinc/75/78/53/1017757853.db2.gz NACDHSRPAHHCEQ-UHFFFAOYSA-N -1 0 320.309 -0.146 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)N3CCO[C@H](C(=O)[O-])C3)C2)cn1 ZINC001600961829 1017757884 /nfs/dbraw/zinc/75/78/84/1017757884.db2.gz MSABVKSROUKKJU-PWSUYJOCSA-N -1 0 323.353 -0.506 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)N3CCO[C@@H](C(=O)[O-])C3)C2)cn1 ZINC001600961830 1017758034 /nfs/dbraw/zinc/75/80/34/1017758034.db2.gz MSABVKSROUKKJU-ZYHUDNBSSA-N -1 0 323.353 -0.506 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])c(=O)[nH]c1=O ZINC001600967875 1017758681 /nfs/dbraw/zinc/75/86/81/1017758681.db2.gz JOVZSQNIYQCIBI-SSDOTTSWSA-N -1 0 317.323 -0.983 20 0 DBADRM Cn1ccc(C(=O)NCCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1=O ZINC001600972581 1017759517 /nfs/dbraw/zinc/75/95/17/1017759517.db2.gz KQKMPBXVXKOATC-WDEREUQCSA-N -1 0 321.333 -0.658 20 0 DBADRM Cn1ccc(C(=O)NC[C@@H](CO)Nc2ccnc(C(=O)[O-])n2)c1 ZINC001600972432 1017761321 /nfs/dbraw/zinc/76/13/21/1017761321.db2.gz BHITXGJXVFFPNU-JTQLQIEISA-N -1 0 319.321 -0.862 20 0 DBADRM Cn1ccc(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC001600972660 1017761584 /nfs/dbraw/zinc/76/15/84/1017761584.db2.gz PUGSPZIUSNASRM-NEPJUHHUSA-N -1 0 323.349 -0.704 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)n1 ZINC001600974930 1017762992 /nfs/dbraw/zinc/76/29/92/1017762992.db2.gz BPKYMFYUDGBWBT-NSHDSACASA-N -1 0 322.365 -0.304 20 0 DBADRM Cn1ccc(N2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2=O)n1 ZINC001600974468 1017765682 /nfs/dbraw/zinc/76/56/82/1017765682.db2.gz AZWIPPKYJDKSQQ-IVZWLZJFSA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600972706 1017765856 /nfs/dbraw/zinc/76/58/56/1017765856.db2.gz RTCNQQUGVFXSRO-DBIOUOCHSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1ccnc1C1(O)CN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001600983830 1017766489 /nfs/dbraw/zinc/76/64/89/1017766489.db2.gz BXGDJQPUJOVRFZ-UHFFFAOYSA-N -1 0 303.278 -0.748 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1=O ZINC001600979476 1017767042 /nfs/dbraw/zinc/76/70/42/1017767042.db2.gz KGGMUKCJTVVHDR-MBTKJCJQSA-N -1 0 305.290 -0.887 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001600986642 1017767222 /nfs/dbraw/zinc/76/72/22/1017767222.db2.gz CVFODRCPCLOCOZ-YTWAJWBKSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1ccn2c(CN3CCC[C@@H]4C[C@@]43C(=O)[O-])nnc2c1=O ZINC001600981011 1017767305 /nfs/dbraw/zinc/76/73/05/1017767305.db2.gz OQJJWHRNPCKQAU-OTYXRUKQSA-N -1 0 303.322 -0.133 20 0 DBADRM Cn1ccnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600985670 1017767695 /nfs/dbraw/zinc/76/76/95/1017767695.db2.gz XJLWWPUHQYAYQK-OQEOFVATSA-N -1 0 304.350 -0.313 20 0 DBADRM Cn1ccnc1CCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001600985853 1017767902 /nfs/dbraw/zinc/76/79/02/1017767902.db2.gz RAIBOPRXYBFFHU-SNVBAGLBSA-N -1 0 308.338 -0.456 20 0 DBADRM Cn1ccnc1[C@H](NC(=O)N1CC(O)(C(=O)[O-])C1)C(F)(F)F ZINC001600982048 1017768649 /nfs/dbraw/zinc/76/86/49/1017768649.db2.gz UGTYHHKGMYYTID-LURJTMIESA-N -1 0 322.243 -0.136 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N[C@H](CC(=O)[O-])C2CC2)c1=O ZINC001600979130 1017769049 /nfs/dbraw/zinc/76/90/49/1017769049.db2.gz BFVDIMRVWMQZCD-SNVBAGLBSA-N -1 0 307.306 -0.307 20 0 DBADRM Cn1ccn2c(CN3CC(F)(F)C[C@H]3C(=O)[O-])nnc2c1=O ZINC001600981335 1017769121 /nfs/dbraw/zinc/76/91/21/1017769121.db2.gz RFKXYPPWEYCRNZ-ZETCQYMHSA-N -1 0 313.264 -0.278 20 0 DBADRM Cn1cnc(NC(=O)C(=O)NCc2ccc(CC(=O)[O-])cc2)n1 ZINC001600989915 1017769959 /nfs/dbraw/zinc/76/99/59/1017769959.db2.gz UCZGIQGGZBVEHK-UHFFFAOYSA-N -1 0 317.305 -0.303 20 0 DBADRM Cn1cnc(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001600987219 1017770109 /nfs/dbraw/zinc/77/01/09/1017770109.db2.gz HGSAVCFZPZQOOA-NXEZZACHSA-N -1 0 321.337 -0.743 20 0 DBADRM Cn1cnc(NC(=O)C(=O)NCCc2ccc(C(=O)[O-])cc2)n1 ZINC001600989543 1017771687 /nfs/dbraw/zinc/77/16/87/1017771687.db2.gz LVRJHOIPFQLIRR-UHFFFAOYSA-N -1 0 317.305 -0.189 20 0 DBADRM Cn1cnc(C(=O)N2CC[C@H](Nc3ncc(C(=O)[O-])cn3)C2)n1 ZINC001600987986 1017771963 /nfs/dbraw/zinc/77/19/63/1017771963.db2.gz OYLFEFBDVAQNHJ-VIFPVBQESA-N -1 0 317.309 -0.370 20 0 DBADRM Cn1cnc(CCCN2C(=O)[C@@H]3C[C@@H](C(=O)[O-])CCN3C2=O)n1 ZINC001600989836 1017772671 /nfs/dbraw/zinc/77/26/71/1017772671.db2.gz FCMSZZHIDXFEDE-UWVGGRQHSA-N -1 0 321.337 -0.125 20 0 DBADRM Cn1cnnc1[C@H](CO)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001600994115 1017774906 /nfs/dbraw/zinc/77/49/06/1017774906.db2.gz BCJQBPGOCORABA-VIFPVBQESA-N -1 0 308.338 0.000 20 0 DBADRM Cn1cncc1C(=O)NC1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600992351 1017776706 /nfs/dbraw/zinc/77/67/06/1017776706.db2.gz LOTTWKJOVJWOFN-WDEREUQCSA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1cnc2ccc(C(=O)N[C@H](CC3OCCO3)C(=O)[O-])nc21 ZINC001600993501 1017776782 /nfs/dbraw/zinc/77/67/82/1017776782.db2.gz MFPOPPYTOMSXLQ-SNVBAGLBSA-N -1 0 320.305 -0.086 20 0 DBADRM Cn1cnnc1CNC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCC1 ZINC001600996493 1017777853 /nfs/dbraw/zinc/77/78/53/1017777853.db2.gz WVLGTEQJQULMDY-NXEZZACHSA-N -1 0 307.354 -0.336 20 0 DBADRM Cn1cnnc1CN1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600996722 1017778104 /nfs/dbraw/zinc/77/81/04/1017778104.db2.gz UYYGLBNQXKEHPU-WDEREUQCSA-N -1 0 307.354 -0.430 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN1CCc1cn(CC(=O)[O-])nn1 ZINC001600995769 1017778548 /nfs/dbraw/zinc/77/85/48/1017778548.db2.gz ATBNVNKAKXBBPK-NSHDSACASA-N -1 0 305.342 -0.129 20 0 DBADRM Cn1cnnc1S(=O)(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001600995677 1017778846 /nfs/dbraw/zinc/77/88/46/1017778846.db2.gz YSPOESWZSPOCIY-MRVPVSSYSA-N -1 0 300.340 -0.310 20 0 DBADRM Cn1cnn(CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1=O ZINC001600996726 1017778887 /nfs/dbraw/zinc/77/88/87/1017778887.db2.gz ZAAQXVWVMVVXEC-JBLDHEPKSA-N -1 0 308.338 -0.316 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)N1CCC(CO)(CO)CC1 ZINC001601003388 1017781117 /nfs/dbraw/zinc/78/11/17/1017781117.db2.gz DYDWCSMQMWDHLL-UHFFFAOYSA-N -1 0 312.326 -0.283 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)CCN1CCCS1(=O)=O ZINC001601003033 1017781251 /nfs/dbraw/zinc/78/12/51/1017781251.db2.gz QGMNWMWSTZCFBY-UHFFFAOYSA-N -1 0 316.339 -0.518 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)NCCS(=O)(=O)C1CC1 ZINC001601005410 1017781709 /nfs/dbraw/zinc/78/17/09/1017781709.db2.gz AFTFKFOEEZSXNV-UHFFFAOYSA-N -1 0 316.339 -0.183 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)CNC(=O)c1ncccc1O ZINC001601002542 1017781725 /nfs/dbraw/zinc/78/17/25/1017781725.db2.gz BKZZSSVVHXUDHQ-UHFFFAOYSA-N -1 0 319.277 -0.413 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)NCC(=O)N=S(C)(C)=O ZINC001601004113 1017782844 /nfs/dbraw/zinc/78/28/44/1017782844.db2.gz IYKMSMKFRNOADF-UHFFFAOYSA-N -1 0 317.327 -0.506 20 0 DBADRM Cn1nc(C(=O)N[C@](C)(CO)C(=O)[O-])c2ccccc2c1=O ZINC001601012922 1017783400 /nfs/dbraw/zinc/78/34/00/1017783400.db2.gz QNEYIBUJWNDLJE-CQSZACIVSA-N -1 0 305.290 -0.501 20 0 DBADRM Cn1nc(C2CC2)cc1C(=O)NCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001601012516 1017783444 /nfs/dbraw/zinc/78/34/44/1017783444.db2.gz AUXNMFBJGZHQLZ-UWVGGRQHSA-N -1 0 320.349 -0.136 20 0 DBADRM Cn1nc(NC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC001601014952 1017783744 /nfs/dbraw/zinc/78/37/44/1017783744.db2.gz CLCIHXJRLSICLW-NSHDSACASA-N -1 0 316.339 -0.183 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N[C@@H](CO)CC1CC1 ZINC001601021869 1017785714 /nfs/dbraw/zinc/78/57/14/1017785714.db2.gz MVQWYLGDTGEUML-MRVPVSSYSA-N -1 0 310.310 -0.666 20 0 DBADRM Cn1ncc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1-n1cnnc1 ZINC001601021501 1017786258 /nfs/dbraw/zinc/78/62/58/1017786258.db2.gz DUPJTMXBDSPTKK-ZETCQYMHSA-N -1 0 314.252 -0.161 20 0 DBADRM Cn1ncc(CCCNS(=O)(=O)CC2(CC(=O)[O-])CC2)n1 ZINC001601026250 1017786747 /nfs/dbraw/zinc/78/67/47/1017786747.db2.gz NAFMIODGVBECLG-UHFFFAOYSA-N -1 0 316.383 -0.078 20 0 DBADRM Cn1ncc(CN2CCC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001601026215 1017786835 /nfs/dbraw/zinc/78/68/35/1017786835.db2.gz KYSCYOZFAFUWEC-VXGBXAGGSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1ncc(CCCNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1 ZINC001601026268 1017786855 /nfs/dbraw/zinc/78/68/55/1017786855.db2.gz NLAJJFUWOBAKKY-NSHDSACASA-N -1 0 323.353 -0.813 20 0 DBADRM Cn1ncc(C(=O)Nc2ccn(CC(=O)[O-])n2)c1-n1cnnc1 ZINC001601021315 1017787040 /nfs/dbraw/zinc/78/70/40/1017787040.db2.gz XJOOPGBVTJBHHV-UHFFFAOYSA-N -1 0 316.281 -0.466 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N(CC(C)(C)O)C1CC1 ZINC001601021215 1017787354 /nfs/dbraw/zinc/78/73/54/1017787354.db2.gz BIUCARDFNSVHJN-UHFFFAOYSA-N -1 0 324.337 -0.181 20 0 DBADRM Cn1nccc1[C@H](CO)N[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001601031469 1017788569 /nfs/dbraw/zinc/78/85/69/1017788569.db2.gz FNTVHSWMPNPSKM-QWRGUYRKSA-N -1 0 310.354 -0.491 20 0 DBADRM Cn1ncc(CNC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CCC2)n1 ZINC001601027833 1017788740 /nfs/dbraw/zinc/78/87/40/1017788740.db2.gz RYXSZKSOBPQOHV-WDEREUQCSA-N -1 0 307.354 -0.336 20 0 DBADRM Cn1ncc(I)c1C(=O)NCC(=O)[O-] ZINC001601027110 1017789802 /nfs/dbraw/zinc/78/98/02/1017789802.db2.gz CHSOFXHPHSIVEK-UHFFFAOYSA-N -1 0 309.063 -0.161 20 0 DBADRM Cn1ncc2c1nc(NCCC(=O)NCCC(=O)[O-])[nH]c2=O ZINC001601029281 1017789953 /nfs/dbraw/zinc/78/99/53/1017789953.db2.gz BWXOFLRXNNLVAK-UHFFFAOYSA-N -1 0 308.298 -0.538 20 0 DBADRM Cn1nccc1C(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001601031637 1017790441 /nfs/dbraw/zinc/79/04/41/1017790441.db2.gz IMBNYTIFTQAQFJ-JTQLQIEISA-N -1 0 316.321 -0.083 20 0 DBADRM Cn1ncc(CNC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CCC2)n1 ZINC001601027831 1017790568 /nfs/dbraw/zinc/79/05/68/1017790568.db2.gz RYXSZKSOBPQOHV-MNOVXSKESA-N -1 0 307.354 -0.336 20 0 DBADRM Cn1ncc2c1CN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C2 ZINC001601032415 1017792238 /nfs/dbraw/zinc/79/22/38/1017792238.db2.gz ADHHTHNSBWZGOT-SNVBAGLBSA-N -1 0 306.322 -0.415 20 0 DBADRM Cn1nccc1[C@@H](NCC(=O)NCc1ccccn1)C(=O)[O-] ZINC001601033522 1017792829 /nfs/dbraw/zinc/79/28/29/1017792829.db2.gz JVNYEBMAKCQKAG-CYBMUJFWSA-N -1 0 303.322 -0.153 20 0 DBADRM Cn1ncnc1CN1CCC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601038695 1017794576 /nfs/dbraw/zinc/79/45/76/1017794576.db2.gz HYAISJOUKHFZRP-WDEREUQCSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1ncnc1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001601038722 1017795562 /nfs/dbraw/zinc/79/55/62/1017795562.db2.gz JKJFHGGKDJGALR-MRVPVSSYSA-N -1 0 305.298 -0.418 20 0 DBADRM Cn1nnc(C(=O)N2CCC(O)(C(=O)[O-])CC2)c1C(F)(F)F ZINC001601039381 1017795925 /nfs/dbraw/zinc/79/59/25/1017795925.db2.gz GCXZUFKQBCECEZ-UHFFFAOYSA-N -1 0 322.243 -0.114 20 0 DBADRM Cn1nccc1NC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001601038202 1017796114 /nfs/dbraw/zinc/79/61/14/1017796114.db2.gz XREGXWOGLLVKMY-SNVBAGLBSA-N -1 0 310.310 -0.957 20 0 DBADRM Cn1nnc(CN2CCC(C)(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001601041004 1017797376 /nfs/dbraw/zinc/79/73/76/1017797376.db2.gz YZELFNNBXNYQHP-NXEZZACHSA-N -1 0 322.369 -0.599 20 0 DBADRM Cn1nnc2cc(C(=O)OCC(=O)NCCC(=O)[O-])cnc21 ZINC001601041550 1017797593 /nfs/dbraw/zinc/79/75/93/1017797593.db2.gz MZQYYJXACWBNEH-UHFFFAOYSA-N -1 0 307.266 -0.889 20 0 DBADRM Cn1nnc(CNC(=O)C(=O)Nc2ccsc2C(=O)[O-])n1 ZINC001601040416 1017798316 /nfs/dbraw/zinc/79/83/16/1017798316.db2.gz FSYKUFAWUXEJNC-UHFFFAOYSA-N -1 0 310.295 -0.775 20 0 DBADRM Cn1nncc1CNC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001601042290 1017798837 /nfs/dbraw/zinc/79/88/37/1017798837.db2.gz ACDOGYCFJFGAND-UHFFFAOYSA-N -1 0 305.298 -0.455 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)CC2 ZINC001601042153 1017799544 /nfs/dbraw/zinc/79/95/44/1017799544.db2.gz ILQMDVIDIDPCCG-UWVGGRQHSA-N -1 0 308.338 -0.378 20 0 DBADRM Cn1nnc(CNC2(C)CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001601040915 1017799566 /nfs/dbraw/zinc/79/95/66/1017799566.db2.gz VKTAVZIOQVFEIK-NXEZZACHSA-N -1 0 322.369 -0.599 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001601040812 1017799613 /nfs/dbraw/zinc/79/96/13/1017799613.db2.gz JTTJAFLPWJQHSY-WCBMZHEXSA-N -1 0 305.294 -0.587 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)CC2 ZINC001601042178 1017799692 /nfs/dbraw/zinc/79/96/92/1017799692.db2.gz ILQMDVIDIDPCCG-ZJUUUORDSA-N -1 0 308.338 -0.378 20 0 DBADRM Cn1nnc(CNCC2(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CCCC2)n1 ZINC001601040609 1017799758 /nfs/dbraw/zinc/79/97/58/1017799758.db2.gz LQHKUEQIMHAVHL-NXEZZACHSA-N -1 0 322.369 -0.551 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])CC2 ZINC001601043730 1017800610 /nfs/dbraw/zinc/80/06/10/1017800610.db2.gz YWVGKIPTZYGEBH-LDYMZIIASA-N -1 0 318.337 -0.545 20 0 DBADRM Cn1nnnc1C1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001601044151 1017800653 /nfs/dbraw/zinc/80/06/53/1017800653.db2.gz GFVLTLLDGGOIEN-JTQLQIEISA-N -1 0 308.342 -0.720 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001601042452 1017800901 /nfs/dbraw/zinc/80/09/01/1017800901.db2.gz DSKWTTRVSLRKIC-VHSXEESVSA-N -1 0 308.338 -0.264 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC001601043354 1017800985 /nfs/dbraw/zinc/80/09/85/1017800985.db2.gz RFLLQFCAEIRSNA-UHFFFAOYSA-N -1 0 320.280 -0.004 20 0 DBADRM Cn1nncc1C(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001601043276 1017801170 /nfs/dbraw/zinc/80/11/70/1017801170.db2.gz ZJBODUTVGIXZMM-ZKCHVHJHSA-N -1 0 317.309 -0.902 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N[C@@H](Cn1ccnc1)C(=O)[O-])CC2 ZINC001601043493 1017801203 /nfs/dbraw/zinc/80/12/03/1017801203.db2.gz UHVODBMLHCQOEO-KOLCDFICSA-N -1 0 318.337 -0.614 20 0 DBADRM Cn1oc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cc1=O ZINC001601045926 1017801548 /nfs/dbraw/zinc/80/15/48/1017801548.db2.gz RURCTQJBSOJNEJ-UYXSQOIJSA-N -1 0 323.305 -0.924 20 0 DBADRM NC(=O)C(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CCCCC1 ZINC001601136731 1017807307 /nfs/dbraw/zinc/80/73/07/1017807307.db2.gz DESUCMVRVQXTKX-DTWKUNHWSA-N -1 0 311.338 -0.872 20 0 DBADRM NC(=O)C(=O)N1CCCC[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001601137008 1017807454 /nfs/dbraw/zinc/80/74/54/1017807454.db2.gz JCDUZGWUSWCPKK-SECBINFHSA-N -1 0 307.310 -0.547 20 0 DBADRM NC(=O)C(=O)NCCC1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001601136735 1017807768 /nfs/dbraw/zinc/80/77/68/1017807768.db2.gz DFNAHORCTUGERX-UHFFFAOYSA-N -1 0 321.337 -0.617 20 0 DBADRM NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(C(=O)[O-])n1 ZINC001601136952 1017808030 /nfs/dbraw/zinc/80/80/30/1017808030.db2.gz HYKZEDYQCZHVGC-DTORHVGOSA-N -1 0 319.321 -0.770 20 0 DBADRM NC(=O)C(=O)NC[C@@H]1CCCCN1c1ncc(C(=O)[O-])cn1 ZINC001601136781 1017808159 /nfs/dbraw/zinc/80/81/59/1017808159.db2.gz FGYLQZUYKBZKIG-VIFPVBQESA-N -1 0 307.310 -0.865 20 0 DBADRM NC(=O)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCCCC1 ZINC001601136733 1017808192 /nfs/dbraw/zinc/80/81/92/1017808192.db2.gz DESUCMVRVQXTKX-RKDXNWHRSA-N -1 0 311.338 -0.872 20 0 DBADRM NC(=O)C1(C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)CC1 ZINC001601140118 1017808429 /nfs/dbraw/zinc/80/84/29/1017808429.db2.gz XIFGIBFEEWGBMR-UHFFFAOYSA-N -1 0 307.310 -0.595 20 0 DBADRM NC(=O)C1(NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCCC1 ZINC001601138932 1017808568 /nfs/dbraw/zinc/80/85/68/1017808568.db2.gz OXKYQVHVNMNNRS-BDAKNGLRSA-N -1 0 304.368 -0.043 20 0 DBADRM NC(=O)C1(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CCCC1 ZINC001601138492 1017808592 /nfs/dbraw/zinc/80/85/92/1017808592.db2.gz HZGSWJCZBMEAAF-SECBINFHSA-N -1 0 311.338 -0.776 20 0 DBADRM NC(=O)C(=O)N[C@H]1CCCC[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001601137536 1017808874 /nfs/dbraw/zinc/80/88/74/1017808874.db2.gz URWQJWBDUMYJSS-WPRPVWTQSA-N -1 0 321.337 -0.253 20 0 DBADRM NC(=O)C1(C(=O)N2CCCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)CC1 ZINC001601140116 1017808878 /nfs/dbraw/zinc/80/88/78/1017808878.db2.gz XBOIUCRGZSLVJD-ZJUUUORDSA-N -1 0 323.349 -0.967 20 0 DBADRM NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001601137377 1017808959 /nfs/dbraw/zinc/80/89/59/1017808959.db2.gz OZHXFKYLVFZLSG-SSRBZLIGSA-N -1 0 323.349 -0.922 20 0 DBADRM NC(=O)[C@H](F)C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC001601138130 1017809130 /nfs/dbraw/zinc/80/91/30/1017809130.db2.gz LLRLCSNCJVFYAH-KXUCPTDWSA-N -1 0 302.302 -0.319 20 0 DBADRM NC(=O)[C@@](O)(CN1CCOC[C@H]1CC(=O)[O-])c1ccccc1 ZINC001601138404 1017809388 /nfs/dbraw/zinc/80/93/88/1017809388.db2.gz CREZZBAYIKYRJF-IUODEOHRSA-N -1 0 308.334 -0.465 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC001601141778 1017810082 /nfs/dbraw/zinc/81/00/82/1017810082.db2.gz CTJFJBBHGONZMK-RKDXNWHRSA-N -1 0 321.337 -0.349 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)CCCn2ccc(C(=O)[O-])n2)O1 ZINC001601142616 1017810142 /nfs/dbraw/zinc/81/01/42/1017810142.db2.gz MUHZOIZMLWRGPQ-GXSJLCMTSA-N -1 0 324.337 -0.489 20 0 DBADRM NC(=O)[C@H](OC(=O)Cn1cc(C(=O)[O-])nn1)c1ccc(F)cc1 ZINC001601140444 1017810258 /nfs/dbraw/zinc/81/02/58/1017810258.db2.gz VSWJNUJEHDEYJR-LLVKDONJSA-N -1 0 322.252 -0.115 20 0 DBADRM NC(=O)C1(O)CN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001601140922 1017810569 /nfs/dbraw/zinc/81/05/69/1017810569.db2.gz LUMDNDJSLOKKBZ-UHFFFAOYSA-N -1 0 315.232 -0.273 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])C1 ZINC001601142883 1017810571 /nfs/dbraw/zinc/81/05/71/1017810571.db2.gz UFRABVHWKVXLMX-OUAUKWLOSA-N -1 0 308.338 -0.256 20 0 DBADRM NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])s2)CCO1 ZINC001601145321 1017811272 /nfs/dbraw/zinc/81/12/72/1017811272.db2.gz FDJJJSFXANCHHR-ZCFIWIBFSA-N -1 0 320.348 -0.679 20 0 DBADRM NC(=O)[C@@H]1CSCCN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001601145232 1017811407 /nfs/dbraw/zinc/81/14/07/1017811407.db2.gz ADLOZDLVJDEKNX-VIFPVBQESA-N -1 0 324.362 -0.379 20 0 DBADRM NC(=O)[C@H]1C[NH+](Cc2ccc(C(=O)[O-])cc2F)C[C@@H]1C(N)=O ZINC001601146125 1017811425 /nfs/dbraw/zinc/81/14/25/1017811425.db2.gz MMQUCWKMLBKTKA-UWVGGRQHSA-N -1 0 309.297 -0.458 20 0 DBADRM NC(=O)CC(=O)NC[C@@H]1CCCCN1c1ccnc(C(=O)[O-])n1 ZINC001601146100 1017811563 /nfs/dbraw/zinc/81/15/63/1017811563.db2.gz PJRNZXSAMMFHHU-VIFPVBQESA-N -1 0 321.337 -0.475 20 0 DBADRM NC(=O)CC(=O)N1CCC[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001601145325 1017811601 /nfs/dbraw/zinc/81/16/01/1017811601.db2.gz DYZWWBQZYMCOQR-VIFPVBQESA-N -1 0 307.310 -0.547 20 0 DBADRM NC(=O)C1CCN(C(=O)COC(=O)CCCC(=O)[O-])CC1 ZINC001601143533 1017811685 /nfs/dbraw/zinc/81/16/85/1017811685.db2.gz KQZQXQSWHTUBJK-UHFFFAOYSA-N -1 0 300.311 -0.492 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)NCC2(CC(=O)[O-])CCCC2)CCO1 ZINC001601147106 1017811906 /nfs/dbraw/zinc/81/19/06/1017811906.db2.gz YRLFBOOMPIETMY-SNVBAGLBSA-N -1 0 313.354 -0.083 20 0 DBADRM NC(=O)C[C@H]1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001601147888 1017811964 /nfs/dbraw/zinc/81/19/64/1017811964.db2.gz LJYIGQWXLQQBLB-SECBINFHSA-N -1 0 307.306 -0.730 20 0 DBADRM NC(=O)C[C@H]1CCCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001601147830 1017812002 /nfs/dbraw/zinc/81/20/02/1017812002.db2.gz KEGHWEBDDWGAEW-CKYFFXLPSA-N -1 0 313.354 -0.227 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CCO1 ZINC001601148283 1017812004 /nfs/dbraw/zinc/81/20/04/1017812004.db2.gz LRYGQGWQTCZIGH-GARJFASQSA-N -1 0 313.354 -0.084 20 0 DBADRM NC(=O)CCCC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001601148921 1017812143 /nfs/dbraw/zinc/81/21/43/1017812143.db2.gz BJKVXZIOBABMFJ-VIFPVBQESA-N -1 0 321.337 -0.735 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CCO1 ZINC001601148399 1017812146 /nfs/dbraw/zinc/81/21/46/1017812146.db2.gz MVHOTTQARZCFGH-VWYCJHECSA-N -1 0 313.354 -0.084 20 0 DBADRM NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001601149027 1017812339 /nfs/dbraw/zinc/81/23/39/1017812339.db2.gz YNTMTDOZSRIVAV-ZETCQYMHSA-N -1 0 316.339 -0.616 20 0 DBADRM NC(=O)C[C@@H]1CN([C@H]2CCCN(CCC(=O)[O-])C2=O)CCO1 ZINC001601147921 1017812763 /nfs/dbraw/zinc/81/27/63/1017812763.db2.gz IUTORKZJWOMONA-MNOVXSKESA-N -1 0 313.354 -0.972 20 0 DBADRM NC(=O)CCNC(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC001601150415 1017813719 /nfs/dbraw/zinc/81/37/19/1017813719.db2.gz YOGIZOSJBZGLRJ-UHFFFAOYSA-N -1 0 315.232 -0.407 20 0 DBADRM NC(=O)CCCCC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001601149645 1017813932 /nfs/dbraw/zinc/81/39/32/1017813932.db2.gz UKTGIVMUSSBHJM-ZJUUUORDSA-N -1 0 311.338 -0.920 20 0 DBADRM NC(=O)Cn1cc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)nn1 ZINC001601153268 1017814735 /nfs/dbraw/zinc/81/47/35/1017814735.db2.gz GGHPDRZSLUWQSD-YMTOWFKASA-N -1 0 321.337 -0.520 20 0 DBADRM NC(=O)N1CC[C@@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC001601154347 1017814784 /nfs/dbraw/zinc/81/47/84/1017814784.db2.gz CKYKANKRJIVAHI-VIFPVBQESA-N -1 0 319.383 -0.439 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1 ZINC001601156085 1017815081 /nfs/dbraw/zinc/81/50/81/1017815081.db2.gz LGDFSAUODKYHBN-WDEREUQCSA-N -1 0 307.306 -0.173 20 0 DBADRM NC(=O)N[C@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001601158278 1017815511 /nfs/dbraw/zinc/81/55/11/1017815511.db2.gz VDNKUZISOZXDFW-QMMMGPOBSA-N -1 0 307.310 -0.539 20 0 DBADRM NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])C1 ZINC001601157236 1017815548 /nfs/dbraw/zinc/81/55/48/1017815548.db2.gz HILNPYIZTHUSST-QMMMGPOBSA-N -1 0 313.335 -0.184 20 0 DBADRM NC(=O)NC[C@H]1CCCCN1C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001601158041 1017815814 /nfs/dbraw/zinc/81/58/14/1017815814.db2.gz TWFJNOOXHXXNLN-SECBINFHSA-N -1 0 309.326 -0.369 20 0 DBADRM NC(=O)N[C@H](CC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])c1ccccc1 ZINC001601156436 1017816160 /nfs/dbraw/zinc/81/61/60/1017816160.db2.gz VUPXAJSHDJQGIJ-IJLUTSLNSA-N -1 0 321.333 -0.168 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NCCNc2ncc(C(=O)[O-])cn2)C1 ZINC001601157254 1017816168 /nfs/dbraw/zinc/81/61/68/1017816168.db2.gz SGHCOQYZSUMRLI-BDAKNGLRSA-N -1 0 321.337 -0.396 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)C(=O)Nc2sccc2C(=O)[O-])C1 ZINC001601160577 1017816406 /nfs/dbraw/zinc/81/64/06/1017816406.db2.gz RMQMMLLDZWJGEP-IZLXSQMJSA-N -1 0 311.319 -0.235 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])O1 ZINC001601159957 1017816554 /nfs/dbraw/zinc/81/65/54/1017816554.db2.gz RYXQGBRRBWZWGQ-ZDCRXTMVSA-N -1 0 314.338 -0.595 20 0 DBADRM NC(=O)c1cc(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)co1 ZINC001601160911 1017816746 /nfs/dbraw/zinc/81/67/46/1017816746.db2.gz QTZCFDHEVGEDPC-UHFFFAOYSA-N -1 0 324.289 -0.142 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001601159184 1017816938 /nfs/dbraw/zinc/81/69/38/1017816938.db2.gz DXZCVYFBHYNSRQ-ZJUUUORDSA-N -1 0 310.350 -0.284 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])cn1 ZINC001601162592 1017816975 /nfs/dbraw/zinc/81/69/75/1017816975.db2.gz CYEKKPMBHFAVHQ-JTQLQIEISA-N -1 0 303.278 -0.740 20 0 DBADRM NC(=O)c1cc(C(=O)N[C@@H](CO)C(=O)[O-])nn1-c1ccccc1 ZINC001601163401 1017817056 /nfs/dbraw/zinc/81/70/56/1017817056.db2.gz HAKWSJLPRLZYMV-JTQLQIEISA-N -1 0 318.289 -0.854 20 0 DBADRM NC(=O)c1ccc(CC(=O)N[C@@]2(CC(=O)[O-])CCCOC2)cn1 ZINC001601163662 1017817233 /nfs/dbraw/zinc/81/72/33/1017817233.db2.gz CWZOLLBAQRQJIQ-OAHLLOKOSA-N -1 0 321.333 -0.137 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NC(=O)Nc2nc3n(c2C(=O)[O-])CCC3)C1 ZINC001601160588 1017817263 /nfs/dbraw/zinc/81/72/63/1017817263.db2.gz SIBVBABANWPKJT-KNVOCYPGSA-N -1 0 307.310 -0.087 20 0 DBADRM NC(=O)c1cc(N2CCC([C@H](O)C(=O)[O-])CC2)nc(Cl)n1 ZINC001601161958 1017817322 /nfs/dbraw/zinc/81/73/22/1017817322.db2.gz UKBCGXRCGPEBDB-VIFPVBQESA-N -1 0 314.729 -0.109 20 0 DBADRM NC(=O)c1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cn1 ZINC001601164022 1017817492 /nfs/dbraw/zinc/81/74/92/1017817492.db2.gz APGJVTMQNYYQOB-UHFFFAOYSA-N -1 0 319.277 -0.744 20 0 DBADRM NC(=O)c1ccc(C(=O)OCC(=O)NCC(=O)[O-])nc1Cl ZINC001601165348 1017817681 /nfs/dbraw/zinc/81/76/81/1017817681.db2.gz WNUHRZLIHOKPEA-UHFFFAOYSA-N -1 0 315.669 -0.809 20 0 DBADRM NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])o1 ZINC001601165495 1017817708 /nfs/dbraw/zinc/81/77/08/1017817708.db2.gz YRGBIDHIFVCEKF-KFFBJUEBSA-N -1 0 308.290 -0.172 20 0 DBADRM NC(=O)c1ccc(N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)nn1 ZINC001601166862 1017818078 /nfs/dbraw/zinc/81/80/78/1017818078.db2.gz XQEAWCQQEXGUFS-QMMMGPOBSA-N -1 0 317.309 -0.293 20 0 DBADRM NC(=O)c1ccc(CC(=O)OCCn2cc(C(=O)[O-])nn2)cn1 ZINC001601163808 1017818080 /nfs/dbraw/zinc/81/80/80/1017818080.db2.gz FQQLGUVDWMWOJL-UHFFFAOYSA-N -1 0 319.277 -0.744 20 0 DBADRM NC(=O)c1ccc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)[nH]1 ZINC001601163906 1017818308 /nfs/dbraw/zinc/81/83/08/1017818308.db2.gz WXUOQACRBZIYAE-RMLUDKJBSA-N -1 0 307.306 -0.323 20 0 DBADRM NC(=O)c1ccc(OCC(=O)Nc2ccnc(C(=O)[O-])n2)cc1 ZINC001601167455 1017818378 /nfs/dbraw/zinc/81/83/78/1017818378.db2.gz RRCPGDPXMRXRBX-UHFFFAOYSA-N -1 0 316.273 -0.287 20 0 DBADRM NC(=O)c1ncn(CC(=O)NC[C@H](C(=O)[O-])c2ccccc2)n1 ZINC001601173098 1017818649 /nfs/dbraw/zinc/81/86/49/1017818649.db2.gz HQNNWXSRRFTLTM-JTQLQIEISA-N -1 0 317.305 -0.638 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001601170652 1017819114 /nfs/dbraw/zinc/81/91/14/1017819114.db2.gz ZMDVPVCBDLCNTC-KCJUWKMLSA-N -1 0 307.306 -0.756 20 0 DBADRM NC(=O)c1cn(CC(=O)N2CC(O)(C(=O)[O-])C2)c2ccccc12 ZINC001601171289 1017819338 /nfs/dbraw/zinc/81/93/38/1017819338.db2.gz PLCPKWPCUDPHFJ-UHFFFAOYSA-N -1 0 317.301 -0.602 20 0 DBADRM NC(=O)c1ncn(CC(=O)Nc2cccc(OCC(=O)[O-])c2)n1 ZINC001601174500 1017820124 /nfs/dbraw/zinc/82/01/24/1017820124.db2.gz YOJYVMPWUYGQGK-UHFFFAOYSA-N -1 0 319.277 -0.521 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])S1 ZINC001601177969 1017820455 /nfs/dbraw/zinc/82/04/55/1017820455.db2.gz HJJUSWJDWIYHIC-DTWKUNHWSA-N -1 0 322.346 -0.250 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)c2ccc(C(=O)[O-])nc2)CCC1 ZINC001601191773 1017822677 /nfs/dbraw/zinc/82/26/77/1017822677.db2.gz BCNXILCFYCZMAU-UHFFFAOYSA-N -1 0 313.335 -0.279 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601192815 1017822801 /nfs/dbraw/zinc/82/28/01/1017822801.db2.gz FJOMAKQKHZSSSM-WCBMZHEXSA-N -1 0 308.356 -0.806 20 0 DBADRM NS(=O)(=O)CC1CCN(Cc2cnc(C(=O)[O-])cn2)CC1 ZINC001601193380 1017823303 /nfs/dbraw/zinc/82/33/03/1017823303.db2.gz XXQWTPMZWCWORP-UHFFFAOYSA-N -1 0 314.367 -0.325 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])on2)C1 ZINC001601193887 1017823360 /nfs/dbraw/zinc/82/33/60/1017823360.db2.gz ITTQTBFRBIWPFG-SSDOTTSWSA-N -1 0 317.323 -0.487 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001601193100 1017823442 /nfs/dbraw/zinc/82/34/42/1017823442.db2.gz LNSUWBOTDSUPJN-MWLCHTKSSA-N -1 0 322.383 -0.728 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001601193013 1017823561 /nfs/dbraw/zinc/82/35/61/1017823561.db2.gz JFCVZHSZHUCWND-UHFFFAOYSA-N -1 0 318.355 -0.245 20 0 DBADRM NS(=O)(=O)CCCCNC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001601193374 1017823628 /nfs/dbraw/zinc/82/36/28/1017823628.db2.gz XOTOYICHLPCVLY-SNVBAGLBSA-N -1 0 321.399 -0.145 20 0 DBADRM NS(=O)(=O)CCCC(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001601193262 1017823764 /nfs/dbraw/zinc/82/37/64/1017823764.db2.gz SFCJHDVEJTUTRR-UHFFFAOYSA-N -1 0 322.383 -0.557 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC001601193583 1017824045 /nfs/dbraw/zinc/82/40/45/1017824045.db2.gz CEJQVDZSTARZQG-UHFFFAOYSA-N -1 0 305.356 -0.688 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])s1 ZINC001601197422 1017824527 /nfs/dbraw/zinc/82/45/27/1017824527.db2.gz YKEWJNXRMZZZRM-YLWLKBPMSA-N -1 0 320.348 -0.633 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)[O-])C2CC2)cn1 ZINC001601196907 1017824897 /nfs/dbraw/zinc/82/48/97/1017824897.db2.gz CHIPPIUHGIBAIP-VIFPVBQESA-N -1 0 300.292 -0.251 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])co1 ZINC001601196089 1017824910 /nfs/dbraw/zinc/82/49/10/1017824910.db2.gz NSCJRSKPPNPKOT-QMMMGPOBSA-N -1 0 318.307 -0.757 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC001601194671 1017825115 /nfs/dbraw/zinc/82/51/15/1017825115.db2.gz VUDJWBZOIHSJHL-RQOWECAXSA-N -1 0 300.292 -0.510 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)co1 ZINC001601196126 1017825299 /nfs/dbraw/zinc/82/52/99/1017825299.db2.gz OZJUNFIXMYYPSC-JTQLQIEISA-N -1 0 320.348 -0.383 20 0 DBADRM NS(=O)(=O)Cc1cccc(NS(=O)(=O)CCC(=O)[O-])c1 ZINC001601194867 1017825313 /nfs/dbraw/zinc/82/53/13/1017825313.db2.gz TZLGNEQYBSDVNL-UHFFFAOYSA-N -1 0 322.364 -0.309 20 0 DBADRM NS(=O)(=O)NC1CCN(C(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001601195809 1017825369 /nfs/dbraw/zinc/82/53/69/1017825369.db2.gz YXPHZSWGWIXODR-UHFFFAOYSA-N -1 0 317.323 -0.625 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])c1 ZINC001601199244 1017825491 /nfs/dbraw/zinc/82/54/91/1017825491.db2.gz RNMCRHASPLAHGQ-HTRCEHHLSA-N -1 0 316.310 -0.076 20 0 DBADRM NS(=O)(=O)c1ccc(CNc2ccnc(C(=O)[O-])n2)cc1 ZINC001601199199 1017826539 /nfs/dbraw/zinc/82/65/39/1017826539.db2.gz OWEOYVKQKZTJDK-UHFFFAOYSA-N -1 0 308.319 -0.144 20 0 DBADRM Nc1c(NC(=O)c2cnn(C[C@@H](O)CO)c2)cccc1C(=O)[O-] ZINC001601209472 1017827126 /nfs/dbraw/zinc/82/71/26/1017827126.db2.gz PQNQRHCUSIUJRY-SECBINFHSA-N -1 0 320.305 -0.231 20 0 DBADRM Nc1nc(N)nc(CS[C@H]2CCN(CCC(=O)[O-])C2=O)n1 ZINC001601219953 1017827283 /nfs/dbraw/zinc/82/72/83/1017827283.db2.gz NVJUPLBVDONUKS-LURJTMIESA-N -1 0 312.355 -0.655 20 0 DBADRM Nc1cccc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)c1 ZINC001601217126 1017827296 /nfs/dbraw/zinc/82/72/96/1017827296.db2.gz FJMKWLQBDLIEHW-UHFFFAOYSA-N -1 0 300.336 -0.131 20 0 DBADRM Nc1c(NCCC(=O)NCCC(=O)[O-])ncnc1-n1cccn1 ZINC001601209178 1017827375 /nfs/dbraw/zinc/82/73/75/1017827375.db2.gz LHXRLDVLEZBYKS-UHFFFAOYSA-N -1 0 319.325 -0.363 20 0 DBADRM Nc1nnc(CC(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)s1 ZINC001601223880 1017828145 /nfs/dbraw/zinc/82/81/45/1017828145.db2.gz HYLCVVDUZSBMRP-BQBZGAKWSA-N -1 0 300.340 -0.484 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)C(=O)N2CCc3cc(F)ccc32)C1 ZINC001601222876 1017828757 /nfs/dbraw/zinc/82/87/57/1017828757.db2.gz AHRFQWVHDIEZAR-OAHLLOKOSA-N -1 0 322.292 -0.237 20 0 DBADRM Nc1nsc(N2CCN(c3nccnc3C(=O)[O-])CC2)n1 ZINC001601225393 1017829004 /nfs/dbraw/zinc/82/90/04/1017829004.db2.gz VUPCWGRVUHWLGV-UHFFFAOYSA-N -1 0 307.339 -0.065 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C(=O)N3CC[C@H]4C[C@H]4C3)C[C@H]1COCC2 ZINC001601224471 1017829141 /nfs/dbraw/zinc/82/91/41/1017829141.db2.gz PDXZXWYWGMNZAX-CENBSLRLSA-N -1 0 322.361 -0.196 20 0 DBADRM Nc1nnn(CC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)n1 ZINC001601224608 1017829174 /nfs/dbraw/zinc/82/91/74/1017829174.db2.gz PSYGSLZANIJGLS-UHFFFAOYSA-N -1 0 302.294 -0.462 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)[C@H]1CCS(=O)(=O)N1)CC2 ZINC001601228848 1017829607 /nfs/dbraw/zinc/82/96/07/1017829607.db2.gz YTMLLPCOZWFVNC-LNLATYFQSA-N -1 0 302.352 -0.466 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001601227652 1017829616 /nfs/dbraw/zinc/82/96/16/1017829616.db2.gz UUJDRGKGCLTCTI-GFCCVEGCSA-N -1 0 305.327 -0.164 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001601227784 1017829629 /nfs/dbraw/zinc/82/96/29/1017829629.db2.gz WNIQMYOGEXVNKK-SECBINFHSA-N -1 0 322.292 -0.164 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@H]2CSC(c3ccccc3O)=N2)C1 ZINC001601229369 1017829671 /nfs/dbraw/zinc/82/96/71/1017829671.db2.gz ZOTYGNJJQZAPNT-SECBINFHSA-N -1 0 322.342 -0.088 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)C1 ZINC001601226823 1017829877 /nfs/dbraw/zinc/82/98/77/1017829877.db2.gz DLFFOAHBDBJSMQ-HNHYXYPQSA-N -1 0 316.313 -0.056 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)/C=C/Cn1cncn1 ZINC001601231714 1017829926 /nfs/dbraw/zinc/82/99/26/1017829926.db2.gz OSDZPHSOPWKFEJ-YOLVWIGZSA-N -1 0 310.310 -0.443 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)C[C@@H]2C=CCC2)n1 ZINC001601247792 1017830162 /nfs/dbraw/zinc/83/01/62/1017830162.db2.gz CUEIJTCYWJLSBL-MNOVXSKESA-N -1 0 320.349 -0.158 20 0 DBADRM O=C([O-])c1coc(/C=C/C(=O)N[C@H](CO)CN2CCOCC2)c1 ZINC001601234348 1017830324 /nfs/dbraw/zinc/83/03/24/1017830324.db2.gz XAYUWQCTCUBIBI-ISUDXETCSA-N -1 0 324.333 -0.200 20 0 DBADRM O=C([O-])c1coc(/C=C/C(=O)N[C@@H](CO)CN2CCOCC2)c1 ZINC001601234350 1017830961 /nfs/dbraw/zinc/83/09/61/1017830961.db2.gz XAYUWQCTCUBIBI-YYRQZUAOSA-N -1 0 324.333 -0.200 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001601260558 1017831484 /nfs/dbraw/zinc/83/14/84/1017831484.db2.gz DLPYQSPQMMGIBO-KXNHARMFSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001601257357 1017831820 /nfs/dbraw/zinc/83/18/20/1017831820.db2.gz MBVRSJLPZJNCSH-UONOGXRCSA-N -1 0 322.361 -0.161 20 0 DBADRM O=C(CCN1CCCC1=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001601274907 1017831876 /nfs/dbraw/zinc/83/18/76/1017831876.db2.gz HJMGVWZDBUTDHH-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCCNC(=O)C1CC1 ZINC001601267838 1017831916 /nfs/dbraw/zinc/83/19/16/1017831916.db2.gz DBVQUAMGYLUYRG-NSHDSACASA-N -1 0 308.338 -0.172 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)NCCN2CCNC2=O)n1 ZINC001601272605 1017831956 /nfs/dbraw/zinc/83/19/56/1017831956.db2.gz JDOZHLPIGSBBFM-UHFFFAOYSA-N -1 0 309.326 -0.497 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CC[C@@H]2NC(=O)NC2=O)cn1 ZINC001601265880 1017832050 /nfs/dbraw/zinc/83/20/50/1017832050.db2.gz XYAZHHAOSJAFGC-QMMMGPOBSA-N -1 0 306.278 -0.616 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)CCNC(=O)Cc1ccccc1 ZINC001601278053 1017832335 /nfs/dbraw/zinc/83/23/35/1017832335.db2.gz WUEKNXGKKOITHC-LBPRGKRZSA-N -1 0 308.334 -0.313 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)N[C@H]1CCCS(=O)(=O)C1 ZINC001601283983 1017832503 /nfs/dbraw/zinc/83/25/03/1017832503.db2.gz BFNLAAJCWCTZAF-GARJFASQSA-N -1 0 319.379 -0.050 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)CCc1cn[nH]n1 ZINC001601286691 1017832621 /nfs/dbraw/zinc/83/26/21/1017832621.db2.gz JXBDDTSMZWVOEL-OIDVMBJGSA-N -1 0 321.337 -0.753 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)CCc2c[nH]cn2)CC1 ZINC001601286714 1017832776 /nfs/dbraw/zinc/83/27/76/1017832776.db2.gz LEGXTXVAQKDSSX-GHMZBOCLSA-N -1 0 320.349 -0.172 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)CCc2ccon2)C1 ZINC001601293282 1017832848 /nfs/dbraw/zinc/83/28/48/1017832848.db2.gz ZXCQTEYPZARFLV-NEPJUHHUSA-N -1 0 321.333 -0.098 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC001601277134 1017833317 /nfs/dbraw/zinc/83/33/17/1017833317.db2.gz XUJHZVVDPQTUEJ-AOOOYVTPSA-N -1 0 324.333 -0.790 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCc1nc2ccccc2oc1=O ZINC001601295446 1017833603 /nfs/dbraw/zinc/83/36/03/1017833603.db2.gz RTBWQUVQBVCVJG-SNVBAGLBSA-N -1 0 306.274 -0.318 20 0 DBADRM O=C([O-])c1cn([C@@H]2COC[C@H]2OC(=O)CCn2cccn2)nn1 ZINC001601299385 1017834165 /nfs/dbraw/zinc/83/41/65/1017834165.db2.gz FWSQCFVIUZFLKV-GHMZBOCLSA-N -1 0 321.293 -0.254 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)CCc1cn[nH]c1 ZINC001601293922 1017834357 /nfs/dbraw/zinc/83/43/57/1017834357.db2.gz OPXMVYJELQBMMA-VHYYUZIWSA-N -1 0 320.349 -0.148 20 0 DBADRM O=C([O-])[C@H]1CCS(=O)(=O)N1CC(=O)NCc1cccs1 ZINC001601303188 1017835062 /nfs/dbraw/zinc/83/50/62/1017835062.db2.gz NHBLCKCYTGKOOI-SECBINFHSA-N -1 0 318.376 -0.147 20 0 DBADRM O=C([O-])[C@]1(O)CCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001601303949 1017835094 /nfs/dbraw/zinc/83/50/94/1017835094.db2.gz JBXJAYUJEVAZEF-AWEZNQCLSA-N -1 0 320.305 -0.272 20 0 DBADRM O=C([O-])[C@H]1CCS(=O)(=O)N1CC(=O)NC1CCCCC1 ZINC001601303096 1017835117 /nfs/dbraw/zinc/83/51/17/1017835117.db2.gz IWBUPNXEMOSAEV-SNVBAGLBSA-N -1 0 304.368 -0.076 20 0 DBADRM O=C([O-])c1nc[nH]c1NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001601301653 1017835450 /nfs/dbraw/zinc/83/54/50/1017835450.db2.gz HTDGMODAGQIDBO-OCAPTIKFSA-N -1 0 318.289 -0.002 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NC[C@@H]2CCC[C@@H](O)C2)C1=O ZINC001601309750 1017835908 /nfs/dbraw/zinc/83/59/08/1017835908.db2.gz DDYKYKHPGHFWDX-UTUOFQBUSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C(CN1C[C@@H]2COC[C@H](C1)O2)NC1(C(=O)[O-])CCCCC1 ZINC001601306758 1017836178 /nfs/dbraw/zinc/83/61/78/1017836178.db2.gz NIXRBDKDMJTOOL-TXEJJXNPSA-N -1 0 312.366 -0.010 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NC[C@@H]2CCC[C@H](O)C2)C1=O ZINC001601309751 1017836223 /nfs/dbraw/zinc/83/62/23/1017836223.db2.gz DDYKYKHPGHFWDX-WOPDTQHZSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2cccc(=O)[nH]2)C1=O ZINC001601310121 1017836299 /nfs/dbraw/zinc/83/62/99/1017836299.db2.gz IIHXTKMJWUTGQJ-SNVBAGLBSA-N -1 0 307.306 -0.273 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NC2(CF)CCOCC2)C1=O ZINC001601307462 1017836599 /nfs/dbraw/zinc/83/65/99/1017836599.db2.gz BDOQBMYDLZOFOX-SNVBAGLBSA-N -1 0 316.329 -0.056 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001601314924 1017836852 /nfs/dbraw/zinc/83/68/52/1017836852.db2.gz QMGNBGJDIJKPJA-CYBMUJFWSA-N -1 0 313.379 -0.037 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1CC(=O)NCC(=O)c1ccccc1 ZINC001601310645 1017837279 /nfs/dbraw/zinc/83/72/79/1017837279.db2.gz QICUCHXOJXITDH-WFASDCNBSA-N -1 0 320.345 -0.105 20 0 DBADRM O=C(CN1CCCCC1=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001601314561 1017837361 /nfs/dbraw/zinc/83/73/61/1017837361.db2.gz OWBPPUUITIUOJR-QWRGUYRKSA-N -1 0 323.349 -0.953 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1O)NC(=O)CN1CCCNC1=O ZINC001601315498 1017837586 /nfs/dbraw/zinc/83/75/86/1017837586.db2.gz LRVVAJZFLCTXNH-LLVKDONJSA-N -1 0 321.333 -0.081 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2cc(CO)ccn2)C1=O ZINC001601311453 1017837657 /nfs/dbraw/zinc/83/76/57/1017837657.db2.gz FBTBRPQQRJHIFP-SNVBAGLBSA-N -1 0 307.306 -0.164 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCOCC1=O)c1ccccc1F ZINC001601316996 1017838137 /nfs/dbraw/zinc/83/81/37/1017838137.db2.gz OSGWQOJYZXENFE-CYBMUJFWSA-N -1 0 310.281 -0.074 20 0 DBADRM O=C([O-])c1ccccc1CCNC(=O)CN1CCNCC1=O ZINC001601316934 1017838249 /nfs/dbraw/zinc/83/82/49/1017838249.db2.gz XWVJISSFTIBSBK-UHFFFAOYSA-N -1 0 305.334 -0.525 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2C[C@@H]3C(=O)OC[C@@H]3C2)n1 ZINC001601317675 1017838715 /nfs/dbraw/zinc/83/87/15/1017838715.db2.gz PLNFIWZMNOTERJ-IUCAKERBSA-N -1 0 305.290 -0.177 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CN1CCOCC1=O)Cc1ccccc1 ZINC001601316449 1017838769 /nfs/dbraw/zinc/83/87/69/1017838769.db2.gz DDXVTBDXEVDTOC-ZDUSSCGKSA-N -1 0 320.345 -0.095 20 0 DBADRM O=C([O-])c1ccccc1CCNC(=O)CN1CCNC(=O)C1 ZINC001601316791 1017838849 /nfs/dbraw/zinc/83/88/49/1017838849.db2.gz VVQBTVFYFYTXAK-UHFFFAOYSA-N -1 0 305.334 -0.525 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NCC(=O)NCC1CC1 ZINC001601321777 1017839336 /nfs/dbraw/zinc/83/93/36/1017839336.db2.gz QUVZXVBAHOACNB-UHFFFAOYSA-N -1 0 311.294 -0.468 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC001601326665 1017839595 /nfs/dbraw/zinc/83/95/95/1017839595.db2.gz REIJQJZZRKAOSX-NSHDSACASA-N -1 0 305.290 -0.541 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CN2CCc3ccccc3C2=O)C1 ZINC001601320156 1017839858 /nfs/dbraw/zinc/83/98/58/1017839858.db2.gz QRJYHGSSJLTSSY-UHFFFAOYSA-N -1 0 304.302 -0.657 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CCNC(=O)CO)Cc2ccccc21 ZINC001601330348 1017840207 /nfs/dbraw/zinc/84/02/07/1017840207.db2.gz TZWFRHDKACNZOM-LBPRGKRZSA-N -1 0 306.318 -0.304 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCNC(=O)CO)c1ccc2c(c1)CCO2 ZINC001601329982 1017840562 /nfs/dbraw/zinc/84/05/62/1017840562.db2.gz FIKOGDMIHHJXNF-AWEZNQCLSA-N -1 0 322.317 -0.638 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)COCC(F)F)CC2)CCOC1 ZINC001601337332 1017840604 /nfs/dbraw/zinc/84/06/04/1017840604.db2.gz UCWJXPBGMMARCT-CYBMUJFWSA-N -1 0 322.308 -0.344 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)CO[C@@H]2CCOC2)n1 ZINC001601337243 1017841027 /nfs/dbraw/zinc/84/10/27/1017841027.db2.gz HXPDDAATULAKHJ-SNVBAGLBSA-N -1 0 324.337 -0.680 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)COc1ccc2ccc(=O)oc2c1 ZINC001601342677 1017841416 /nfs/dbraw/zinc/84/14/16/1017841416.db2.gz BDATZXGJBZAQSR-SNVBAGLBSA-N -1 0 307.258 -0.267 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NC[C@@H]1CN2CCN1CC2 ZINC001601341382 1017841431 /nfs/dbraw/zinc/84/14/31/1017841431.db2.gz YEFQYOYHEJFKTG-SNVBAGLBSA-N -1 0 324.337 -0.995 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)Cc1ccc(O)c(F)c1 ZINC001601361048 1017841539 /nfs/dbraw/zinc/84/15/39/1017841539.db2.gz GJIKPYHBEQSGKM-SNVBAGLBSA-N -1 0 308.269 -0.065 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NCC[C@H]1CNC(=O)C1 ZINC001601340901 1017841589 /nfs/dbraw/zinc/84/15/89/1017841589.db2.gz LHLRGMNBMWGPBB-MRVPVSSYSA-N -1 0 311.294 -0.468 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC001601343610 1017841655 /nfs/dbraw/zinc/84/16/55/1017841655.db2.gz DWUXVPVIWNRMJI-LBPRGKRZSA-N -1 0 322.317 -0.246 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NCCNC(=O)c2ccn[nH]2)cn1 ZINC001601357981 1017841722 /nfs/dbraw/zinc/84/17/22/1017841722.db2.gz OGJHBHPBRZPRKN-UHFFFAOYSA-N -1 0 317.305 -0.408 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)COc1ccc(Br)cn1 ZINC001601341554 1017841888 /nfs/dbraw/zinc/84/18/88/1017841888.db2.gz OOVOPXIXLQPWPM-SSDOTTSWSA-N -1 0 319.111 -0.215 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NCCN1CCCC1=O ZINC001601341328 1017841934 /nfs/dbraw/zinc/84/19/34/1017841934.db2.gz WKBPSRKBRWANCL-UHFFFAOYSA-N -1 0 311.294 -0.372 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NCCCN2C(=O)CNC2=O)cn1 ZINC001601357724 1017842059 /nfs/dbraw/zinc/84/20/59/1017842059.db2.gz KUBCHCAPDMUCBO-UHFFFAOYSA-N -1 0 320.305 -0.620 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 ZINC001601370800 1017842414 /nfs/dbraw/zinc/84/24/14/1017842414.db2.gz DMRCAMCQBXBBEG-YFVNTRNASA-N -1 0 318.333 -0.754 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)Cc2ccccc2CO)nn1 ZINC001601369868 1017842663 /nfs/dbraw/zinc/84/26/63/1017842663.db2.gz WMMDFCZBSQTUQC-UHFFFAOYSA-N -1 0 304.306 -0.173 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2ccon2)C1 ZINC001601371582 1017842804 /nfs/dbraw/zinc/84/28/04/1017842804.db2.gz TVYQSBCJJFGRGH-ZDDJMSTPSA-N -1 0 321.333 -0.051 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)Cc3cc[nH]n3)CC2)CCOC1 ZINC001601371014 1017842849 /nfs/dbraw/zinc/84/28/49/1017842849.db2.gz PKDXUMYNHULCPO-AWEZNQCLSA-N -1 0 308.338 -0.660 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001601370789 1017842993 /nfs/dbraw/zinc/84/29/93/1017842993.db2.gz CYMIBFYFUXWKLG-PDEGPIFNSA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 ZINC001601370799 1017843311 /nfs/dbraw/zinc/84/33/11/1017843311.db2.gz DMRCAMCQBXBBEG-VLLVSFFDSA-N -1 0 318.333 -0.754 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001601372597 1017843377 /nfs/dbraw/zinc/84/33/77/1017843377.db2.gz ROWLEYPSELEJFM-FSZOTQKASA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001601370787 1017843459 /nfs/dbraw/zinc/84/34/59/1017843459.db2.gz CYMIBFYFUXWKLG-IELRGYKMSA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])c1cnc(NCCCNC(=O)Cc2nc[nH]n2)nc1 ZINC001601376274 1017843716 /nfs/dbraw/zinc/84/37/16/1017843716.db2.gz PPFRXNPBYMQGQF-UHFFFAOYSA-N -1 0 305.298 -0.546 20 0 DBADRM O=C([O-])c1cnn(CC(=O)Nc2ccc(OCCO)nc2)c1 ZINC001601379247 1017843742 /nfs/dbraw/zinc/84/37/42/1017843742.db2.gz FTNCGPONZGZKFD-UHFFFAOYSA-N -1 0 306.278 -0.014 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001601376217 1017843782 /nfs/dbraw/zinc/84/37/82/1017843782.db2.gz NFLPGHGNEPVRNU-UTINFBMNSA-N -1 0 321.337 -0.921 20 0 DBADRM O=C([O-])C1(CNC(=O)Cc2nc3ncccn3n2)CCOCC1 ZINC001601375706 1017843807 /nfs/dbraw/zinc/84/38/07/1017843807.db2.gz BMFFJGIMLCBSOI-UHFFFAOYSA-N -1 0 319.321 -0.336 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)Cc3ncc[nH]3)C2)nc1 ZINC001601375913 1017843872 /nfs/dbraw/zinc/84/38/72/1017843872.db2.gz DLWPPUSLIQKTIN-JTQLQIEISA-N -1 0 316.321 -0.165 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)Cc1cn2c(n1)CCCC2 ZINC001601372721 1017844579 /nfs/dbraw/zinc/84/45/79/1017844579.db2.gz MTBPWNQVZIKMOG-NSHDSACASA-N -1 0 318.337 -0.377 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCC2(N3CCOCC3)CC2)n1 ZINC001601385414 1017845056 /nfs/dbraw/zinc/84/50/56/1017845056.db2.gz SUDZGIAIQULSCG-UHFFFAOYSA-N -1 0 308.338 -0.438 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N[C@H]2C[C@H]3CCCCN3C2=O)c1 ZINC001601380902 1017845143 /nfs/dbraw/zinc/84/51/43/1017845143.db2.gz KFZVDKBLLKEQDC-MNOVXSKESA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NC[C@@H](CO)Cc2cccnc2)c1 ZINC001601381291 1017845177 /nfs/dbraw/zinc/84/51/77/1017845177.db2.gz OJHMDOGLNPTQFG-LBPRGKRZSA-N -1 0 318.333 -0.056 20 0 DBADRM O=C([O-])c1cnn(CC(=O)O[C@@H]2CCCS(=O)(=O)C2)c1 ZINC001601380546 1017845221 /nfs/dbraw/zinc/84/52/21/1017845221.db2.gz LYCVQZVTLQIWFK-SECBINFHSA-N -1 0 302.308 -0.298 20 0 DBADRM O=C([O-])[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1cccc(O)c1 ZINC001601383975 1017845236 /nfs/dbraw/zinc/84/52/36/1017845236.db2.gz DYUWGSRWFZBADM-LBPRGKRZSA-N -1 0 319.273 -0.403 20 0 DBADRM O=C([O-])[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1cccc(O)c1 ZINC001601383974 1017845562 /nfs/dbraw/zinc/84/55/62/1017845562.db2.gz DYUWGSRWFZBADM-GFCCVEGCSA-N -1 0 319.273 -0.403 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)nn1 ZINC001601382718 1017845633 /nfs/dbraw/zinc/84/56/33/1017845633.db2.gz CHRDKBAPUDETCT-QMMMGPOBSA-N -1 0 307.310 -0.897 20 0 DBADRM O=C([O-])c1cnn(CC(=O)OCCCN2C(=O)CNC2=O)c1 ZINC001601381107 1017845656 /nfs/dbraw/zinc/84/56/56/1017845656.db2.gz XMYVUMOWVNQZEU-UHFFFAOYSA-N -1 0 310.266 -0.934 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCCCO[C@H]2CCOC2)c1=O ZINC001601387891 1017846135 /nfs/dbraw/zinc/84/61/35/1017846135.db2.gz HDSCHMZHGQXIKP-NSHDSACASA-N -1 0 324.333 -0.142 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCC[C@@]2(O)CCCOC2)c1=O ZINC001601388858 1017846240 /nfs/dbraw/zinc/84/62/40/1017846240.db2.gz UCIYFPISZBTMHX-HNNXBMFYSA-N -1 0 324.333 -0.406 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cccn1 ZINC001601389673 1017846312 /nfs/dbraw/zinc/84/63/12/1017846312.db2.gz XOKUMHHGEUSNQV-YFVNTRNASA-N -1 0 318.333 -0.823 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCCCn2cccn2)c1=O ZINC001601388660 1017846364 /nfs/dbraw/zinc/84/63/64/1017846364.db2.gz PQZSYKIGDDGGBJ-UHFFFAOYSA-N -1 0 304.306 -0.051 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N[C@H](CO)CC(F)(F)F)c1=O ZINC001601386894 1017846381 /nfs/dbraw/zinc/84/63/81/1017846381.db2.gz QJEOCUJIKBNLND-ZETCQYMHSA-N -1 0 322.239 -0.024 20 0 DBADRM O=C([O-])c1cccn(CC(=O)O[C@H]2CCN(C3CC3)C2=O)c1=O ZINC001601388839 1017846491 /nfs/dbraw/zinc/84/64/91/1017846491.db2.gz WXDATTHCQNNWEG-NSHDSACASA-N -1 0 320.301 -0.147 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCc2nncn2C2CC2)c1=O ZINC001601388168 1017846513 /nfs/dbraw/zinc/84/65/13/1017846513.db2.gz SQTIIHUCWMQOMM-UHFFFAOYSA-N -1 0 317.305 -0.211 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)Cn2ccnc2)C1 ZINC001601389663 1017846597 /nfs/dbraw/zinc/84/65/97/1017846597.db2.gz XFPKAHBESBLKLW-ZRUFSTJUSA-N -1 0 306.322 -0.633 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)Cn1ncc2cccnc21 ZINC001601391978 1017846942 /nfs/dbraw/zinc/84/69/42/1017846942.db2.gz ZYEPFVNHMMCLQQ-JTQLQIEISA-N -1 0 320.305 -0.236 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001601391531 1017846978 /nfs/dbraw/zinc/84/69/78/1017846978.db2.gz OQOCMQAMFLJGJM-YTWAJWBKSA-N -1 0 320.349 -0.394 20 0 DBADRM O=C([O-])c1coc(COC(=O)Cn2ncn3nccc3c2=O)c1 ZINC001601391301 1017847007 /nfs/dbraw/zinc/84/70/07/1017847007.db2.gz ILKWUBBFJQRZKN-UHFFFAOYSA-N -1 0 318.245 -0.074 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C1CCCCC1 ZINC001601392950 1017847043 /nfs/dbraw/zinc/84/70/43/1017847043.db2.gz GDPFEVPMCNHSCR-FVCCEPFGSA-N -1 0 313.350 -0.451 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)Cn1nnc2ccccc2c1=O ZINC001601392227 1017847087 /nfs/dbraw/zinc/84/70/87/1017847087.db2.gz IXGMQMVLOJQLOP-PSASIEDQSA-N -1 0 302.290 -0.372 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)Cn1nnc2ccccc21 ZINC001601392080 1017847142 /nfs/dbraw/zinc/84/71/42/1017847142.db2.gz GVBAOXIHDPHMCA-LLVKDONJSA-N -1 0 314.305 -0.034 20 0 DBADRM O=C([O-])c1cnoc1COC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001601391042 1017847150 /nfs/dbraw/zinc/84/71/50/1017847150.db2.gz ICVCATBJUDUPSK-UHFFFAOYSA-N -1 0 322.277 -0.189 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001601426200 1017847867 /nfs/dbraw/zinc/84/78/67/1017847867.db2.gz UQUWGXBHOKRWNB-IUCAKERBSA-N -1 0 320.309 -0.988 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cc(F)cc2n[nH]nc21 ZINC001601429168 1017847947 /nfs/dbraw/zinc/84/79/47/1017847947.db2.gz QPGWUMQGHJSGSN-SECBINFHSA-N -1 0 319.256 -0.428 20 0 DBADRM O=C([O-])C1(NC(=O)c2cccc(-n3cnnn3)c2)CC(CO)C1 ZINC001601426822 1017848058 /nfs/dbraw/zinc/84/80/58/1017848058.db2.gz LDRCSRZRYJQIDR-UHFFFAOYSA-N -1 0 317.305 -0.382 20 0 DBADRM O=C([O-])C1(NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)CC(CO)C1 ZINC001601427451 1017848133 /nfs/dbraw/zinc/84/81/33/1017848133.db2.gz SSIALKPBGGEDTG-UHFFFAOYSA-N -1 0 306.278 -0.381 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1ccc2c(c1)OCO2 ZINC001601427484 1017848521 /nfs/dbraw/zinc/84/85/21/1017848521.db2.gz CBOPFPDDNIXVBM-VIFPVBQESA-N -1 0 304.262 -0.110 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001601426613 1017848544 /nfs/dbraw/zinc/84/85/44/1017848544.db2.gz ZNXSPYDNZFVJNB-KOLCDFICSA-N -1 0 306.322 -0.537 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)CCO1 ZINC001601438229 1017849063 /nfs/dbraw/zinc/84/90/63/1017849063.db2.gz URGRCVOISKXYRE-BDAKNGLRSA-N -1 0 320.292 -0.008 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)C(=O)N[C@H]3C=CCC3)C2)nn1 ZINC001601433807 1017849120 /nfs/dbraw/zinc/84/91/20/1017849120.db2.gz BZVBOATWNDTSNA-VHSXEESVSA-N -1 0 319.321 -0.416 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2csnn2)CC1 ZINC001601441461 1017849293 /nfs/dbraw/zinc/84/92/93/1017849293.db2.gz SPHGSHXXYNOUEM-BDAKNGLRSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])C1(C2(O)CCN(C(=O)C(=O)NC3CC3)CC2)CCC1 ZINC001601434120 1017849441 /nfs/dbraw/zinc/84/94/41/1017849441.db2.gz VFDIDSGMRTVMND-UHFFFAOYSA-N -1 0 310.350 -0.127 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC(F)(F)C2)CCO1 ZINC001601436707 1017849537 /nfs/dbraw/zinc/84/95/37/1017849537.db2.gz CVCSPYDUCXCSJI-SFYZADRCSA-N -1 0 306.265 -0.398 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@H]2C(=O)NCC23CCOCC3)no1 ZINC001601434599 1017849706 /nfs/dbraw/zinc/84/97/06/1017849706.db2.gz MRPGWRMAYUNWDQ-VIFPVBQESA-N -1 0 309.278 -0.602 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)O1 ZINC001601433467 1017849768 /nfs/dbraw/zinc/84/97/68/1017849768.db2.gz FUGKRNXRHXYOGC-AXFHLTTASA-N -1 0 311.338 -0.319 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N[C@@H]2CCC(F)(F)C2)C1 ZINC001601436683 1017849854 /nfs/dbraw/zinc/84/98/54/1017849854.db2.gz BKTZGAHUKAGFDU-HLTSFMKQSA-N -1 0 320.292 -0.416 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)c3ccncn3)C2)n1 ZINC001601443616 1017850058 /nfs/dbraw/zinc/85/00/58/1017850058.db2.gz QXRGAVKUQNCFQK-SECBINFHSA-N -1 0 314.305 -0.027 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001601447836 1017850100 /nfs/dbraw/zinc/85/01/00/1017850100.db2.gz KKQPFDYWZGAAML-VHSXEESVSA-N -1 0 318.333 -0.440 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCCNC1=O ZINC001601441711 1017850214 /nfs/dbraw/zinc/85/02/14/1017850214.db2.gz VLKZLXCTDXKGGX-IUCAKERBSA-N -1 0 321.337 -0.006 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2ccnnc2)CC1 ZINC001601442053 1017850544 /nfs/dbraw/zinc/85/05/44/1017850544.db2.gz YVWZCYSZGABDHO-NWDGAFQWSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001601447834 1017850843 /nfs/dbraw/zinc/85/08/43/1017850843.db2.gz KKQPFDYWZGAAML-NXEZZACHSA-N -1 0 318.333 -0.440 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)C1 ZINC001601444040 1017850870 /nfs/dbraw/zinc/85/08/70/1017850870.db2.gz GJWZCDAITUDKOQ-JOYOIKCWSA-N -1 0 300.311 -0.835 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001601448429 1017851106 /nfs/dbraw/zinc/85/11/06/1017851106.db2.gz PRQNXGLLKQCVAZ-UWVGGRQHSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)CNC(=O)c1ccsc1 ZINC001601450062 1017851202 /nfs/dbraw/zinc/85/12/02/1017851202.db2.gz ZHWUKPXWXPUMHR-ONGXEEELSA-N -1 0 312.347 -0.086 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N[C@H]1CCn2ccnc2C1 ZINC001601449048 1017851231 /nfs/dbraw/zinc/85/12/31/1017851231.db2.gz UJBQRSDDGGHVKZ-GUBZILKMSA-N -1 0 306.322 -0.707 20 0 DBADRM O=C([O-])[C@@H]1CCN1C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC001601449917 1017851290 /nfs/dbraw/zinc/85/12/90/1017851290.db2.gz PUYLQQUZCVNHBP-VIFPVBQESA-N -1 0 306.274 -0.169 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)c2ccoc2)n1 ZINC001601466740 1017851500 /nfs/dbraw/zinc/85/15/00/1017851500.db2.gz QAJOVDYRLZJEGC-VIFPVBQESA-N -1 0 306.278 -0.608 20 0 DBADRM O=C([O-])c1cn(-c2cccc(NC(=O)NC[C@H](O)CO)c2)nn1 ZINC001601466323 1017851688 /nfs/dbraw/zinc/85/16/88/1017851688.db2.gz JSZAXTDBNQSDPC-JTQLQIEISA-N -1 0 321.293 -0.560 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001601449033 1017851729 /nfs/dbraw/zinc/85/17/29/1017851729.db2.gz UFLXBIMXJYALKL-SZEHBUNVSA-N -1 0 306.322 -0.637 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)CNC(=O)c1ccsc1 ZINC001601450060 1017851810 /nfs/dbraw/zinc/85/18/10/1017851810.db2.gz ZHWUKPXWXPUMHR-KOLCDFICSA-N -1 0 312.347 -0.086 20 0 DBADRM O=C([O-])[C@H](CNC(=O)c1nc2n(n1)CCCN2)c1ccccc1 ZINC001601455720 1017851861 /nfs/dbraw/zinc/85/18/61/1017851861.db2.gz RZHFXTSMUOIJLA-LLVKDONJSA-N -1 0 315.333 -0.051 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)c2ccc(-n3ccnc3)nn2)CCOC1 ZINC001601471763 1017852697 /nfs/dbraw/zinc/85/26/97/1017852697.db2.gz ICVGTMAHVGYTJP-CQSZACIVSA-N -1 0 317.305 -0.117 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2cn[nH]n2)CCCC1 ZINC001601476072 1017852720 /nfs/dbraw/zinc/85/27/20/1017852720.db2.gz MBJJOEPHDQQETG-DTWKUNHWSA-N -1 0 321.337 -0.316 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)NC[C@@]1(O)CCOC1 ZINC001601475191 1017852842 /nfs/dbraw/zinc/85/28/42/1017852842.db2.gz HEPKJFUWVDWDCF-XPTSAGLGSA-N -1 0 324.337 -0.133 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)Nc2cccc3c2CNC3=O)CC1 ZINC001601468486 1017852890 /nfs/dbraw/zinc/85/28/90/1017852890.db2.gz WKHHRVHBLZBQDF-UHFFFAOYSA-N -1 0 317.301 -0.151 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@]2(OCCO)CCOC2)no1 ZINC001601477353 1017852972 /nfs/dbraw/zinc/85/29/72/1017852972.db2.gz HUPRGIIKAZZJTE-GFCCVEGCSA-N -1 0 300.267 -0.729 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC2SCCS2)CCO1 ZINC001601489235 1017854460 /nfs/dbraw/zinc/85/44/60/1017854460.db2.gz LRHCXPMQZVPFGT-SSDOTTSWSA-N -1 0 320.392 -0.779 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)C(=O)NC[C@@H]2CCCO2)C1 ZINC001601484003 1017853260 /nfs/dbraw/zinc/85/32/60/1017853260.db2.gz MCXXPSWSRAGJPE-UWVGGRQHSA-N -1 0 316.379 -0.442 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)C(=O)NC[C@@H]3CCCO3)[C@@H]2C1 ZINC001601484822 1017853607 /nfs/dbraw/zinc/85/36/07/1017853607.db2.gz SZDQSDIJEMDEGO-IIRVCBMXSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]1CCOC1)C2 ZINC001601485890 1017853626 /nfs/dbraw/zinc/85/36/26/1017853626.db2.gz JQQXHTLDOXUPDH-PGUXBMHVSA-N -1 0 310.350 -0.148 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NC[C@H]2CCC=CCCC2)C1 ZINC001601482600 1017853686 /nfs/dbraw/zinc/85/36/86/1017853686.db2.gz QAOBLZFUCFUTQB-NSHDSACASA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2ncccn2)C1 ZINC001601487767 1017853698 /nfs/dbraw/zinc/85/36/98/1017853698.db2.gz IRBUWTNBAXVNMF-ZJUUUORDSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)C(=O)NC[C@H]2CCCO2)C1 ZINC001601484002 1017853776 /nfs/dbraw/zinc/85/37/76/1017853776.db2.gz MCXXPSWSRAGJPE-NXEZZACHSA-N -1 0 316.379 -0.442 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C2CCCC2)C1 ZINC001601477857 1017854074 /nfs/dbraw/zinc/85/40/74/1017854074.db2.gz QLOWZBMSZPVMDZ-WDEREUQCSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])c1nccc(NCC=CCNC(=O)c2cocn2)n1 ZINC001601491995 1017854330 /nfs/dbraw/zinc/85/43/30/1017854330.db2.gz OHSBVKYBUADXEZ-UPHRSURJSA-N -1 0 303.278 -0.017 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)c1cnc[nH]c1=O ZINC001601491043 1017854516 /nfs/dbraw/zinc/85/45/16/1017854516.db2.gz HSUSQEOQACVHKC-NPIHWTNLSA-N -1 0 320.305 -0.695 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)NCC[C@@H]1CCOC1)C2 ZINC001601493330 1017854525 /nfs/dbraw/zinc/85/45/25/1017854525.db2.gz SORNYKMOQWRNDK-OZWUEAAUSA-N -1 0 310.350 -0.101 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2ncccc2O)C1 ZINC001601488686 1017854692 /nfs/dbraw/zinc/85/46/92/1017854692.db2.gz UHHACNVXCOZHRA-NXEZZACHSA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2ccnnc2)C1 ZINC001601488561 1017854713 /nfs/dbraw/zinc/85/47/13/1017854713.db2.gz SQRGOOFZDQGCBO-QWRGUYRKSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001601488684 1017854788 /nfs/dbraw/zinc/85/47/88/1017854788.db2.gz UFQKUWBUPBXRER-IUCAKERBSA-N -1 0 320.305 -0.909 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)NC[C@H]1CSCCS1 ZINC001601488024 1017854993 /nfs/dbraw/zinc/85/49/93/1017854993.db2.gz MDYUSEYYMRHMDB-HRDYMLBCSA-N -1 0 318.420 -0.212 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)c1cc[n+]([O-])cc1 ZINC001601491370 1017855007 /nfs/dbraw/zinc/85/50/07/1017855007.db2.gz KHMZDEUYHYALNG-HHDBNCKJSA-N -1 0 319.317 -0.557 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NCCCc2ccccc2F)C1 ZINC001601501523 1017855693 /nfs/dbraw/zinc/85/56/93/1017855693.db2.gz ZXXNQQJHSDMGDR-UHFFFAOYSA-N -1 0 324.308 -0.468 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N(CCNC(=O)c1csnn1)C1CC1 ZINC001601501572 1017855747 /nfs/dbraw/zinc/85/57/47/1017855747.db2.gz BWFMKENJHVUAMA-IUCAKERBSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NCC[C@H]2CCCC2(F)F)C1 ZINC001601494107 1017855809 /nfs/dbraw/zinc/85/58/09/1017855809.db2.gz QNCRBMCEENYCNX-MRVPVSSYSA-N -1 0 320.292 -0.414 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCCN2CCCC2=O)C1 ZINC001601497706 1017855906 /nfs/dbraw/zinc/85/59/06/1017855906.db2.gz ZUXRKAOXLSVFPN-SNVBAGLBSA-N -1 0 311.338 -0.952 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)c2cn[nH]c(=O)c2)n1 ZINC001601499427 1017855939 /nfs/dbraw/zinc/85/59/39/1017855939.db2.gz IMENSODQDLOXEB-UHFFFAOYSA-N -1 0 318.293 -0.676 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)NCCCN2C(=O)CCC2=O)C1 ZINC001601498183 1017856017 /nfs/dbraw/zinc/85/60/17/1017856017.db2.gz HDOAFRPTVJUVNZ-SNVBAGLBSA-N -1 0 309.322 -0.002 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCCN1C(=O)CNC1=O ZINC001601497934 1017856029 /nfs/dbraw/zinc/85/60/29/1017856029.db2.gz HZTDQHFPIUQGMN-VHSXEESVSA-N -1 0 311.338 -0.065 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N(CCNC(=O)c1cnccn1)C1CC1 ZINC001601501968 1017856051 /nfs/dbraw/zinc/85/60/51/1017856051.db2.gz VLQHKLLUWTUBJD-QWRGUYRKSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)c2cc[n+]([O-])cc2)n1 ZINC001601499248 1017856113 /nfs/dbraw/zinc/85/61/13/1017856113.db2.gz FSZMWCCENREAPD-UHFFFAOYSA-N -1 0 317.305 -0.538 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N(CCCNC(=O)c1cnon1)C1CC1 ZINC001601498100 1017856283 /nfs/dbraw/zinc/85/62/83/1017856283.db2.gz ACNONMYKBSPQBA-UWVGGRQHSA-N -1 0 322.321 -0.099 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CCCNC(=O)c2ccsc2)C1 ZINC001601494583 1017856427 /nfs/dbraw/zinc/85/64/27/1017856427.db2.gz GGNMSRYZAHHULG-UHFFFAOYSA-N -1 0 312.347 -0.084 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NCCOC1CCOCC1 ZINC001601503903 1017856810 /nfs/dbraw/zinc/85/68/10/1017856810.db2.gz VMKYQILSESMFKH-ZYHUDNBSSA-N -1 0 316.354 -0.029 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1c[nH]nc1C1CC1 ZINC001601502936 1017856942 /nfs/dbraw/zinc/85/69/42/1017856942.db2.gz DRHWLDBUWSFIIO-DTWKUNHWSA-N -1 0 306.322 -0.146 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNC(=O)c1cn(CC2CC2)nn1 ZINC001601503051 1017857005 /nfs/dbraw/zinc/85/70/05/1017857005.db2.gz FAWBURZDYXBAIV-UWVGGRQHSA-N -1 0 321.337 -0.745 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCCN2CCOCC2)c1 ZINC001601502510 1017857373 /nfs/dbraw/zinc/85/73/73/1017857373.db2.gz WONGVNMCSUFKNM-UHFFFAOYSA-N -1 0 321.333 -0.228 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCS(=O)(=O)CC2CC2)CC1 ZINC001601505999 1017857832 /nfs/dbraw/zinc/85/78/32/1017857832.db2.gz DPDBEOQDXZHATH-UHFFFAOYSA-N -1 0 304.368 -0.025 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)C(=O)N[C@@H]2CCOC2)cc1 ZINC001601507775 1017857967 /nfs/dbraw/zinc/85/79/67/1017857967.db2.gz HSBMAVHTJOINOE-GFCCVEGCSA-N -1 0 306.318 -0.051 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCC2(C3(O)CCC3)CC2)nn1 ZINC001601517464 1017858216 /nfs/dbraw/zinc/85/82/16/1017858216.db2.gz KGPHNVDFNBJIQX-UHFFFAOYSA-N -1 0 323.353 -0.029 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)c2ccnc(F)c2)n1 ZINC001601511600 1017858276 /nfs/dbraw/zinc/85/82/76/1017858276.db2.gz QFQAELAUUWIVCD-UHFFFAOYSA-N -1 0 305.269 -0.027 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CC[C@@H](c2nccs2)C1 ZINC001601521094 1017858713 /nfs/dbraw/zinc/85/87/13/1017858713.db2.gz UJTWJPQDSPMNQI-SFYZADRCSA-N -1 0 315.326 -0.002 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@@H](C1CCC1)[C@H]1CCOC1 ZINC001601519941 1017858808 /nfs/dbraw/zinc/85/88/08/1017858808.db2.gz KMISIWGOJKEOFT-DCAQKATOSA-N -1 0 316.329 -0.153 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@]23C[C@H]2CCC3)C1 ZINC001601520701 1017858831 /nfs/dbraw/zinc/85/88/31/1017858831.db2.gz NCHQIVMTIMGTQP-CZFOOCMKSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001601520146 1017858991 /nfs/dbraw/zinc/85/89/91/1017858991.db2.gz NKEDEPSGHUYONP-PBXRRBTRSA-N -1 0 321.248 -0.252 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC001601522635 1017859180 /nfs/dbraw/zinc/85/91/80/1017859180.db2.gz ZBWZKZBALDPMFX-JTQLQIEISA-N -1 0 323.280 -0.109 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NC[C@H](CO)CC2CC2)nn1 ZINC001601518950 1017859441 /nfs/dbraw/zinc/85/94/41/1017859441.db2.gz ZVDKXAKLIUCPGG-SNVBAGLBSA-N -1 0 311.342 -0.316 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC001601519943 1017859470 /nfs/dbraw/zinc/85/94/70/1017859470.db2.gz KMISIWGOJKEOFT-OUAUKWLOSA-N -1 0 316.329 -0.153 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCC(C2OCCO2)CC1 ZINC001601521442 1017859551 /nfs/dbraw/zinc/85/95/51/1017859551.db2.gz UTEBIGRHKRJVED-VIFPVBQESA-N -1 0 318.301 -0.863 20 0 DBADRM O=C([O-])C1CCN(C(=O)NCCC2CS(=O)(=O)C2)CC1 ZINC001601823837 1017887692 /nfs/dbraw/zinc/88/76/92/1017887692.db2.gz HKFRRMXENJQQEI-UHFFFAOYSA-N -1 0 304.368 -0.073 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CO)[C@H]1CCOC1 ZINC001601523452 1017859710 /nfs/dbraw/zinc/85/97/10/1017859710.db2.gz HWMCGTGFQCIFKR-LMLFDSFASA-N -1 0 302.327 -0.827 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001601524333 1017859780 /nfs/dbraw/zinc/85/97/80/1017859780.db2.gz WOLHPHRDRSHXOF-DGSDLBLYSA-N -1 0 311.334 -0.166 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001601525112 1017859998 /nfs/dbraw/zinc/85/99/98/1017859998.db2.gz AYQREWSYNDCOTH-QCLAVDOMSA-N -1 0 306.322 -0.245 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCc2nncn2CC1 ZINC001601524071 1017860007 /nfs/dbraw/zinc/86/00/07/1017860007.db2.gz PHWIXZZAQHDLER-CKYFFXLPSA-N -1 0 308.338 -0.164 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCN(CC2CC2)CC1 ZINC001601526656 1017860146 /nfs/dbraw/zinc/86/01/46/1017860146.db2.gz GAOQHEHQTUAAOH-VXGBXAGGSA-N -1 0 309.366 -0.623 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC001601524543 1017860263 /nfs/dbraw/zinc/86/02/63/1017860263.db2.gz XKLUQWZMKBFONO-KCJUWKMLSA-N -1 0 310.281 -0.260 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1ccccc1S(=O)(=O)C(F)F ZINC001601523434 1017860629 /nfs/dbraw/zinc/86/06/29/1017860629.db2.gz FVBBLYLWUNQRPD-ZETCQYMHSA-N -1 0 323.273 -0.142 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCc2cscn2)C1 ZINC001601548362 1017860788 /nfs/dbraw/zinc/86/07/88/1017860788.db2.gz BAENKAXJXYPRRK-IONNQARKSA-N -1 0 313.335 -0.947 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCN(C2CCC2)CC1 ZINC001601527255 1017860863 /nfs/dbraw/zinc/86/08/63/1017860863.db2.gz VOINHPHQYRMZCN-ZYHUDNBSSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)C(=O)NCc1ccc(F)cc1 ZINC001601538196 1017860963 /nfs/dbraw/zinc/86/09/63/1017860963.db2.gz PXKKWFFLPJWXER-VXGBXAGGSA-N -1 0 324.308 -0.122 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1 ZINC001601530086 1017861433 /nfs/dbraw/zinc/86/14/33/1017861433.db2.gz IFQFUYGDJFRQFR-HQJQHLMTSA-N -1 0 306.265 -0.358 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001601527037 1017861750 /nfs/dbraw/zinc/86/17/50/1017861750.db2.gz ODGLSJJMTBMCSH-JBDRJPRFSA-N -1 0 324.312 -0.106 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)N[C@H]3CCOC3)CC2)CCOC1 ZINC001601569524 1017862062 /nfs/dbraw/zinc/86/20/62/1017862062.db2.gz BGCKDISAMOVKEL-FZMZJTMJSA-N -1 0 313.354 -0.654 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001601570978 1017862202 /nfs/dbraw/zinc/86/22/02/1017862202.db2.gz TWBVSIMYVHZFIA-VLEAKVRGSA-N -1 0 306.322 -0.604 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001601569633 1017862257 /nfs/dbraw/zinc/86/22/57/1017862257.db2.gz KYYVDVUICSSQDG-VFIZFGRHSA-N -1 0 311.290 -0.935 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1cncc(N2CCOCC2)c1 ZINC001601570324 1017862272 /nfs/dbraw/zinc/86/22/72/1017862272.db2.gz JAGFBQUNIVZQQU-QWHCGFSZSA-N -1 0 321.333 -0.110 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)C1 ZINC001601572646 1017862382 /nfs/dbraw/zinc/86/23/82/1017862382.db2.gz QHHBTKIFVPBQAT-IWXIMVSXSA-N -1 0 319.317 -0.063 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)c1cc2n(n1)CCC[C@@H]2O ZINC001601568179 1017862412 /nfs/dbraw/zinc/86/24/12/1017862412.db2.gz JSHLBPSZKUZDNR-PWSUYJOCSA-N -1 0 319.321 -0.141 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cnn(C[C@@H](O)CO)c2)[C@H]2C[C@H]21 ZINC001601573569 1017862456 /nfs/dbraw/zinc/86/24/56/1017862456.db2.gz UCXUNMDCUMLNPZ-ZIQFBCGOSA-N -1 0 309.322 -0.925 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)N1CCOCC3(CC3)C1)C2 ZINC001601573135 1017862546 /nfs/dbraw/zinc/86/25/46/1017862546.db2.gz BHXXBIJXXOJEJJ-GDLVEWKHSA-N -1 0 322.361 -0.005 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2cnsn2)C1 ZINC001601573633 1017862704 /nfs/dbraw/zinc/86/27/04/1017862704.db2.gz IFYFHBDDIJGQSD-KZVJFYERSA-N -1 0 324.362 -0.117 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC001601572582 1017862713 /nfs/dbraw/zinc/86/27/13/1017862713.db2.gz JONQNWCQUAFLJD-BPYAMOTFSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ncccn2)C1 ZINC001601573889 1017862738 /nfs/dbraw/zinc/86/27/38/1017862738.db2.gz NNBLKXHRYSLLGI-QCLAVDOMSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001601568428 1017862751 /nfs/dbraw/zinc/86/27/51/1017862751.db2.gz QZGJQAHSROFNKV-WCBMZHEXSA-N -1 0 304.310 -0.624 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2C[C@H](NC(=O)c3cocn3)C2)n1 ZINC001601573800 1017862932 /nfs/dbraw/zinc/86/29/32/1017862932.db2.gz LDZXIPRGYBZRDF-OCAPTIKFSA-N -1 0 303.278 -0.042 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](O)C2)c2ccccc2O1 ZINC001601574685 1017863201 /nfs/dbraw/zinc/86/32/01/1017863201.db2.gz XWVMRNHJEFGXLZ-VDDIYKPWSA-N -1 0 320.301 -0.495 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)N1C[C@@H]3CC[C@H](O)[C@@H]3C1)C2 ZINC001601574638 1017863292 /nfs/dbraw/zinc/86/32/92/1017863292.db2.gz RGZQOBJMCMSVBM-APWAOZSPSA-N -1 0 322.361 -0.415 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cc3n(n2)CCCC3)CCO1 ZINC001601594468 1017863458 /nfs/dbraw/zinc/86/34/58/1017863458.db2.gz VOIJBVISLKZPIT-JTQLQIEISA-N -1 0 322.321 -0.530 20 0 DBADRM O=C([O-])c1cc2c(cc1NC(=O)C(=O)N[C@H]1C[C@H](O)C1)OCO2 ZINC001601593831 1017863526 /nfs/dbraw/zinc/86/35/26/1017863526.db2.gz HVRMZWAKFCIISH-LJGSYFOKSA-N -1 0 322.273 -0.309 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cn2)CCO1 ZINC001601603823 1017863562 /nfs/dbraw/zinc/86/35/62/1017863562.db2.gz YVNGFTFNHKOYPT-MRVPVSSYSA-N -1 0 313.697 -0.015 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2F)C1 ZINC001601577671 1017863715 /nfs/dbraw/zinc/86/37/15/1017863715.db2.gz QESBLGLMURINFV-XSPKLOCKSA-N -1 0 324.312 -0.106 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)NN2CCCNC2=O)c1 ZINC001601585427 1017863772 /nfs/dbraw/zinc/86/37/72/1017863772.db2.gz ODGIAMXNGXNJGE-UHFFFAOYSA-N -1 0 312.307 -0.169 20 0 DBADRM O=C([O-])c1nc[nH]c1NC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001601580164 1017863858 /nfs/dbraw/zinc/86/38/58/1017863858.db2.gz YSOGVSQUMWDWBK-ZETCQYMHSA-N -1 0 306.282 -0.012 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2F)C1 ZINC001601577669 1017864351 /nfs/dbraw/zinc/86/43/51/1017864351.db2.gz QESBLGLMURINFV-FNCVBFRFSA-N -1 0 324.312 -0.106 20 0 DBADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCCS(=O)(=O)C2)nn1 ZINC001601601136 1017864394 /nfs/dbraw/zinc/86/43/94/1017864394.db2.gz NVAREANKOUDLAQ-SSDOTTSWSA-N -1 0 314.323 -0.127 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC001601656316 1017864897 /nfs/dbraw/zinc/86/48/97/1017864897.db2.gz CWMUCJZBMBGDAF-LLVKDONJSA-N -1 0 323.330 -0.133 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)[C@H]1CCCC12OCCO2 ZINC001601643751 1017864979 /nfs/dbraw/zinc/86/49/79/1017864979.db2.gz FFZJIMREGIBADS-ZJUUUORDSA-N -1 0 315.322 -0.138 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NS(=O)(=O)CCOCC1CC1 ZINC001601646378 1017865146 /nfs/dbraw/zinc/86/51/46/1017865146.db2.gz STVWKFDTYJQGNH-JTQLQIEISA-N -1 0 323.367 -0.451 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)[C@@H](O)c1ccccn1 ZINC001601646747 1017865418 /nfs/dbraw/zinc/86/54/18/1017865418.db2.gz XEICDFDYQROBLJ-JQWIXIFHSA-N -1 0 310.306 -0.163 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NS(=O)(=O)c1ccccn1 ZINC001601643627 1017865435 /nfs/dbraw/zinc/86/54/35/1017865435.db2.gz CXNWZBBTZMCRCK-QMMMGPOBSA-N -1 0 302.308 -0.424 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NS(=O)(=O)c1cccnc1 ZINC001601643718 1017865491 /nfs/dbraw/zinc/86/54/91/1017865491.db2.gz FBOZSNQBILYCAN-SECBINFHSA-N -1 0 302.308 -0.424 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)C1(O)CCOCC1 ZINC001601646415 1017865566 /nfs/dbraw/zinc/86/55/66/1017865566.db2.gz UFLPOTMGDOTMSD-VIFPVBQESA-N -1 0 303.311 -0.750 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC001601656313 1017865673 /nfs/dbraw/zinc/86/56/73/1017865673.db2.gz CWJIBIBVMPBQJG-UWVGGRQHSA-N -1 0 316.379 -0.360 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@@H]1CCOC1 ZINC001601653718 1017865788 /nfs/dbraw/zinc/86/57/88/1017865788.db2.gz KXOSYAFKRRNALU-QNWJLWSRSA-N -1 0 313.350 -0.109 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC001601657369 1017865979 /nfs/dbraw/zinc/86/59/79/1017865979.db2.gz YPYZQLPZSDOAQS-UTUOFQBUSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC001601657370 1017866050 /nfs/dbraw/zinc/86/60/50/1017866050.db2.gz YPYZQLPZSDOAQS-WOPDTQHZSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@H]1CCCCS1(=O)=O ZINC001601662525 1017866224 /nfs/dbraw/zinc/86/62/24/1017866224.db2.gz IRXSJOXLONIMRU-VHSXEESVSA-N -1 0 315.351 -0.580 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC001601657368 1017866619 /nfs/dbraw/zinc/86/66/19/1017866619.db2.gz YPYZQLPZSDOAQS-TUAOUCFPSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)N2CC[C@H](CF)C2)CC1 ZINC001601680734 1017866791 /nfs/dbraw/zinc/86/67/91/1017866791.db2.gz LPVCYRKJFASQON-KOLCDFICSA-N -1 0 316.329 -0.512 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001601662204 1017866824 /nfs/dbraw/zinc/86/68/24/1017866824.db2.gz GUKPJEDWHFEISM-LDYMZIIASA-N -1 0 304.310 -0.309 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC[C@@H](C3OCCO3)C2)CC1 ZINC001601709585 1017867141 /nfs/dbraw/zinc/86/71/41/1017867141.db2.gz CTXXBQVUWBFLPD-SECBINFHSA-N -1 0 305.352 -0.124 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C2=C3CCCN=C3NN2)CC1 ZINC001601683311 1017867379 /nfs/dbraw/zinc/86/73/79/1017867379.db2.gz PHKVKMPVCWIQBZ-NSHDSACASA-N -1 0 308.338 -0.775 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C[C@@H]2C=CS(=O)(=O)C2)CC1 ZINC001601683574 1017867491 /nfs/dbraw/zinc/86/74/91/1017867491.db2.gz QRCGCBVVHOOVQV-JOYOIKCWSA-N -1 0 317.363 -0.381 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC001601684760 1017867504 /nfs/dbraw/zinc/86/75/04/1017867504.db2.gz MQFYKJDLIXLOJO-MNOVXSKESA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)/C=C/CN2CCOCC2)CC1 ZINC001601683062 1017867519 /nfs/dbraw/zinc/86/75/19/1017867519.db2.gz MXWPPBDIDRHWFX-YUKKFKLSSA-N -1 0 312.366 -0.441 20 0 DBADRM O=C([O-])[C@]1(CNS(=O)(=O)c2c[nH]nc2Cl)CCOC1 ZINC001601711035 1017867608 /nfs/dbraw/zinc/86/76/08/1017867608.db2.gz JHXNAAOARDNBSC-VIFPVBQESA-N -1 0 309.731 -0.167 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(S(=O)(=O)C[C@H]2CCOC2)CC1 ZINC001601683955 1017868022 /nfs/dbraw/zinc/86/80/22/1017868022.db2.gz HPBYEBNXMRHTHW-GXSJLCMTSA-N -1 0 307.368 -0.490 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(S(=O)(=O)C3CCC3)CC2)CCOC1 ZINC001601719991 1017868267 /nfs/dbraw/zinc/86/82/67/1017868267.db2.gz QNRKWOHEJKNXLX-CYBMUJFWSA-N -1 0 318.395 -0.270 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@H](CO)[C@@H]2CCOC2)CC1 ZINC001601713918 1017868772 /nfs/dbraw/zinc/86/87/72/1017868772.db2.gz SARKRGWVALNBKD-NXEZZACHSA-N -1 0 307.368 -0.584 20 0 DBADRM O=C([O-])[C@]1(CNS(=O)(=O)c2cncc(F)c2)CCOC1 ZINC001601711570 1017868924 /nfs/dbraw/zinc/86/89/24/1017868924.db2.gz XOBVMSXTSQXSMA-NSHDSACASA-N -1 0 304.299 -0.010 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)CCC[C@@H]2CCOC2)C1 ZINC001601723661 1017869624 /nfs/dbraw/zinc/86/96/24/1017869624.db2.gz STPRXALUAJPSPP-PWSUYJOCSA-N -1 0 307.368 -0.346 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2ccc(F)nc2F)C1 ZINC001601722754 1017869712 /nfs/dbraw/zinc/86/97/12/1017869712.db2.gz LGGCKSCWAMRQJU-SNVBAGLBSA-N -1 0 308.262 -0.430 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)N2CCCCCC2)CC(CO)C1 ZINC001601722125 1017869785 /nfs/dbraw/zinc/86/97/85/1017869785.db2.gz WTYZPSGJAHQVQV-UHFFFAOYSA-N -1 0 306.384 -0.078 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)C[C@@H]2CCCOC2)CC(CO)C1 ZINC001601721990 1017869945 /nfs/dbraw/zinc/86/99/45/1017869945.db2.gz ZGGUBDQVHKXSJI-GRZMOONWSA-N -1 0 307.368 -0.442 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2C[C@@H](CO)[C@H](CCO)C2)CCC1 ZINC001601725666 1017869963 /nfs/dbraw/zinc/86/99/63/1017869963.db2.gz ZNLZKTCESPCFHQ-ZJUUUORDSA-N -1 0 307.368 -0.754 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCCOC[C@H]2CCOC2)CCC1 ZINC001601725253 1017870280 /nfs/dbraw/zinc/87/02/80/1017870280.db2.gz QKWNMTYGLKPTRD-JTQLQIEISA-N -1 0 307.368 -0.034 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2C[C@H](CO)[C@H](CCO)C2)CCC1 ZINC001601725656 1017870334 /nfs/dbraw/zinc/87/03/34/1017870334.db2.gz ZNLZKTCESPCFHQ-NXEZZACHSA-N -1 0 307.368 -0.754 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(c2nnnn2CCc2ccccc2)C1 ZINC001601722905 1017870595 /nfs/dbraw/zinc/87/05/95/1017870595.db2.gz MTFAMGSREDRFND-CQSZACIVSA-N -1 0 303.322 -0.058 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)NCCOCC(F)(F)F)C1 ZINC001601733650 1017871164 /nfs/dbraw/zinc/87/11/64/1017871164.db2.gz FJJQNEZEFAXYBV-QMMMGPOBSA-N -1 0 324.255 -0.029 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CC(N3CCCC3=O)C2)C1 ZINC001601736866 1017871252 /nfs/dbraw/zinc/87/12/52/1017871252.db2.gz LOIMGWGXDONKGL-JTQLQIEISA-N -1 0 321.333 -0.891 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)C2)C1 ZINC001601738785 1017871476 /nfs/dbraw/zinc/87/14/76/1017871476.db2.gz JGYOACPRGMNVKV-NTDWFJSYSA-N -1 0 321.333 -0.267 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC001601736898 1017871508 /nfs/dbraw/zinc/87/15/08/1017871508.db2.gz MCALTDJKTCOEDG-HLTSFMKQSA-N -1 0 300.261 -0.001 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)NCCN3CCCC3=O)C2)C1 ZINC001601746539 1017872031 /nfs/dbraw/zinc/87/20/31/1017872031.db2.gz ZDKDSSAPFRHRAI-CQSZACIVSA-N -1 0 324.337 -0.376 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)c3ccnc4n[nH]nc43)C2)C1 ZINC001601745874 1017872152 /nfs/dbraw/zinc/87/21/52/1017872152.db2.gz ZQKFNTQKXQQRER-ZDUSSCGKSA-N -1 0 316.277 -0.202 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(CCN3CCCS3(=O)=O)C2)C1 ZINC001601747111 1017872375 /nfs/dbraw/zinc/87/23/75/1017872375.db2.gz ZGIPFLFXXUYHAD-LBPRGKRZSA-N -1 0 317.367 -0.673 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)c3cc4n(n3)CCO4)C2)C1 ZINC001601741669 1017872584 /nfs/dbraw/zinc/87/25/84/1017872584.db2.gz APFDVVLJQHFWGR-ZDUSSCGKSA-N -1 0 306.278 -0.279 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1Cc1nnnn1CC(F)(F)F ZINC001601753585 1017873108 /nfs/dbraw/zinc/87/31/08/1017873108.db2.gz MFEUPTBCDDBFAP-SVRRBLITSA-N -1 0 309.248 -0.355 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1cnc2sccn2c1=O ZINC001601758779 1017873184 /nfs/dbraw/zinc/87/31/84/1017873184.db2.gz TZPYCXZWGQEXCQ-RKDXNWHRSA-N -1 0 323.330 -0.194 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1ccc(-n2cnnn2)cn1 ZINC001601758816 1017873329 /nfs/dbraw/zinc/87/33/29/1017873329.db2.gz UTMQKVXGGDBWMB-GHMZBOCLSA-N -1 0 318.293 -0.893 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1cc(Cn2cccn2)on1 ZINC001601756639 1017873485 /nfs/dbraw/zinc/87/34/85/1017873485.db2.gz CWMVCNCNJSRHQU-NWDGAFQWSA-N -1 0 320.305 -0.031 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCN(c3ncccn3)CC2)C1 ZINC001601758656 1017873492 /nfs/dbraw/zinc/87/34/92/1017873492.db2.gz CYYFRMLMFLBTLD-LLVKDONJSA-N -1 0 305.338 -0.511 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001601757521 1017873661 /nfs/dbraw/zinc/87/36/61/1017873661.db2.gz HCKALLCMXNOEQP-DTWKUNHWSA-N -1 0 306.278 -0.286 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1ccc(-n2cncn2)nc1 ZINC001601757323 1017873979 /nfs/dbraw/zinc/87/39/79/1017873979.db2.gz GLWJHXVTNPRSHR-CMPLNLGQSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001601761926 1017874250 /nfs/dbraw/zinc/87/42/50/1017874250.db2.gz AXAHSYTWVXZQNL-BDAKNGLRSA-N -1 0 318.293 -0.831 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCCOC[C@@H]2CCCO2)C1 ZINC001601764792 1017874312 /nfs/dbraw/zinc/87/43/12/1017874312.db2.gz UTTQZEVEZCYWLZ-UTUOFQBUSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001601762122 1017874484 /nfs/dbraw/zinc/87/44/84/1017874484.db2.gz KFMQLMUQWNKJRP-GMTAPVOTSA-N -1 0 308.338 -0.256 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC23CCCC3)C1 ZINC001601760596 1017874666 /nfs/dbraw/zinc/87/46/66/1017874666.db2.gz QJYJAVPAFPAXAF-GHMZBOCLSA-N -1 0 310.350 -0.175 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2ccc3c(n2)OCCO3)C1 ZINC001601763564 1017874848 /nfs/dbraw/zinc/87/48/48/1017874848.db2.gz IZFKCKDUKXMAOT-DTWKUNHWSA-N -1 0 308.290 -0.240 20 0 DBADRM O=C([O-])C1CC(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC001601760172 1017874857 /nfs/dbraw/zinc/87/48/57/1017874857.db2.gz GBHSRRQLNVVZBL-RTBKNWGFSA-N -1 0 315.351 -0.014 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC(F)CC2)C1 ZINC001601760409 1017875045 /nfs/dbraw/zinc/87/50/45/1017875045.db2.gz LMDKZGUDLXVDDZ-PSASIEDQSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001601762645 1017875095 /nfs/dbraw/zinc/87/50/95/1017875095.db2.gz AJKORSKEVPUWAE-GHMZBOCLSA-N -1 0 323.353 -0.374 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)N2CC3(C2)CCCC3)C1 ZINC001601760769 1017875160 /nfs/dbraw/zinc/87/51/60/1017875160.db2.gz SVYSJZPPUKSAIW-QWRGUYRKSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001601768101 1017875366 /nfs/dbraw/zinc/87/53/66/1017875366.db2.gz HNHAGQLVCVYBLV-WDEREUQCSA-N -1 0 320.349 -0.016 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(CCn2cnc(Br)n2)C1 ZINC001601766650 1017875451 /nfs/dbraw/zinc/87/54/51/1017875451.db2.gz COZODSFZUDUDAO-SFYZADRCSA-N -1 0 319.159 -0.192 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCc2nnc3n2CCC3)C1 ZINC001601766842 1017875723 /nfs/dbraw/zinc/87/57/23/1017875723.db2.gz XKAOBRWWMPTBDR-BDAKNGLRSA-N -1 0 309.326 -0.799 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)CCCN2C(=O)CCC2=O)C1 ZINC001601767652 1017876208 /nfs/dbraw/zinc/87/62/08/1017876208.db2.gz SCAZPZHJQCVPKH-ZJUUUORDSA-N -1 0 312.322 -0.790 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(c2nc(Cl)nc3[nH]c(=O)[nH]c32)C1 ZINC001601766599 1017876375 /nfs/dbraw/zinc/87/63/75/1017876375.db2.gz AOLMSXNOPZCUBC-WHFBIAKZSA-N -1 0 313.701 -0.016 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N(CCO)CCNCc1cnsn1 ZINC001601775798 1017876703 /nfs/dbraw/zinc/87/67/03/1017876703.db2.gz LGJLDGUHZPYPDA-UWVGGRQHSA-N -1 0 314.367 -0.831 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCn1cncn1 ZINC001601775489 1017877254 /nfs/dbraw/zinc/87/72/54/1017877254.db2.gz FDTFRCZLDWQISX-QNWHQSFQSA-N -1 0 319.365 -0.326 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001601776150 1017877741 /nfs/dbraw/zinc/87/77/41/1017877741.db2.gz UCDLJQHCCBSJGL-OBPIAQAESA-N -1 0 322.361 -0.293 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCOC2(CN(C(=O)C3CC3)C2)C1 ZINC001601776677 1017877863 /nfs/dbraw/zinc/87/78/63/1017877863.db2.gz DDXFECBSPDSTGI-QWRGUYRKSA-N -1 0 308.334 -0.443 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccccc2)C1 ZINC001601776767 1017878015 /nfs/dbraw/zinc/87/80/15/1017878015.db2.gz CEKMCAPIOIZDKK-NEPJUHHUSA-N -1 0 318.329 -0.290 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(O)CN(CCOC2CCC2)C1 ZINC001601777078 1017878176 /nfs/dbraw/zinc/87/81/76/1017878176.db2.gz CTTKYFFVZKSCLH-RYUDHWBXSA-N -1 0 312.366 -0.561 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001601777833 1017879573 /nfs/dbraw/zinc/87/95/73/1017879573.db2.gz ARPWDIMHTNDMRN-XAVMHZPKSA-N -1 0 309.326 -0.785 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)CC1CCC1 ZINC001601777732 1017879662 /nfs/dbraw/zinc/87/96/62/1017879662.db2.gz FGOQZJCSPQRHIT-NEPJUHHUSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(F)ncn3)C[C@H]21 ZINC001601779011 1017880222 /nfs/dbraw/zinc/88/02/22/1017880222.db2.gz GGEOBROGXOWTID-BLHGMNIDSA-N -1 0 306.297 -0.113 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCN(C(=O)c1ncc[nH]1)C1CC1 ZINC001601779465 1017880638 /nfs/dbraw/zinc/88/06/38/1017880638.db2.gz JAJVUBWXAJOGCG-ZJUUUORDSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)/C=C\C2CC2)C1 ZINC001601778553 1017880799 /nfs/dbraw/zinc/88/07/99/1017880799.db2.gz JCJNIQUJCVGWAQ-CBZSPVTBSA-N -1 0 308.334 -0.637 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2=O)CC1 ZINC001601778771 1017880937 /nfs/dbraw/zinc/88/09/37/1017880937.db2.gz MSBHEZCJEXGYCR-MNOVXSKESA-N -1 0 323.349 -1.000 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(CC(=O)N2CCCCC2)C1 ZINC001601780370 1017881315 /nfs/dbraw/zinc/88/13/15/1017881315.db2.gz KZCSYKPGSSQFKI-QWHCGFSZSA-N -1 0 323.393 -0.232 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)CCc2nnc[nH]2)CC1 ZINC001601780678 1017881410 /nfs/dbraw/zinc/88/14/10/1017881410.db2.gz SYDQKAWJGBPLLZ-ZJUUUORDSA-N -1 0 321.337 -0.871 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNCc1nnc2n1CCCCC2 ZINC001601780883 1017881590 /nfs/dbraw/zinc/88/15/90/1017881590.db2.gz NCNWVJODXNIVLY-QWRGUYRKSA-N -1 0 321.381 -0.069 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNCc1nnc2n1CCCCC2 ZINC001601780884 1017881629 /nfs/dbraw/zinc/88/16/29/1017881629.db2.gz NCNWVJODXNIVLY-WDEREUQCSA-N -1 0 321.381 -0.069 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)C=C2CCC2)C1 ZINC001601780159 1017881746 /nfs/dbraw/zinc/88/17/46/1017881746.db2.gz RGICIFWNHHQUQC-NEPJUHHUSA-N -1 0 322.361 -0.103 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2cccnc2)C1 ZINC001601780029 1017881752 /nfs/dbraw/zinc/88/17/52/1017881752.db2.gz KOLFHEDCRNCMTR-VXGBXAGGSA-N -1 0 303.318 -0.010 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2nnnn2C2CC2)C1 ZINC001601782415 1017882610 /nfs/dbraw/zinc/88/26/10/1017882610.db2.gz QBERIPDBIHWOPI-UUTMEEIUSA-N -1 0 320.353 -0.535 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001601783720 1017882714 /nfs/dbraw/zinc/88/27/14/1017882714.db2.gz UBVIIXVCYBESQF-WDEREUQCSA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)c2cn[nH]n2)CC1 ZINC001601782236 1017882782 /nfs/dbraw/zinc/88/27/82/1017882782.db2.gz XJORWVUAMSYELY-DTWKUNHWSA-N -1 0 307.310 -0.800 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1nc(CNCCF)cc(=O)[nH]1 ZINC001601783220 1017883030 /nfs/dbraw/zinc/88/30/30/1017883030.db2.gz SNKJAZYPQXRYJT-IUCAKERBSA-N -1 0 312.301 -0.422 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2ncccc2O)C1 ZINC001601781719 1017883275 /nfs/dbraw/zinc/88/32/75/1017883275.db2.gz STDFZIJVHQLOKT-DTWKUNHWSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001601783714 1017883295 /nfs/dbraw/zinc/88/32/95/1017883295.db2.gz UBVIIXVCYBESQF-GHMZBOCLSA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2cscn2)C1 ZINC001601783186 1017883360 /nfs/dbraw/zinc/88/33/60/1017883360.db2.gz WFZJMCMLOTVJSJ-VHSXEESVSA-N -1 0 311.363 -0.473 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]2C(=O)N(CCO[C@H]3CCOC3)C(=O)N2C1 ZINC001601798871 1017883815 /nfs/dbraw/zinc/88/38/15/1017883815.db2.gz NTYSPXTVPOUVTK-VWYCJHECSA-N -1 0 312.322 -0.081 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)c1cccnc1 ZINC001601785921 1017883878 /nfs/dbraw/zinc/88/38/78/1017883878.db2.gz ZXVAXWOLLILWDU-NWDGAFQWSA-N -1 0 321.333 -0.647 20 0 DBADRM O=C([O-])C1CCC(S(=O)(=O)NC2CC(CO)(CO)C2)CC1 ZINC001601799504 1017884020 /nfs/dbraw/zinc/88/40/20/1017884020.db2.gz QTRZRLWWYBMJKD-UHFFFAOYSA-N -1 0 321.395 -0.317 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCN(C(=O)Cn1cccn1)C1CC1 ZINC001601784891 1017884051 /nfs/dbraw/zinc/88/40/51/1017884051.db2.gz WGJZKVJVCVUHRA-RYUDHWBXSA-N -1 0 320.349 -0.289 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cncc(F)c2)C1 ZINC001601784510 1017884077 /nfs/dbraw/zinc/88/40/77/1017884077.db2.gz YTUGBKWOOBXUTI-WDEREUQCSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3cnoc3)C[C@H]21 ZINC001601784645 1017884102 /nfs/dbraw/zinc/88/41/02/1017884102.db2.gz WAEBRCMFUIOMET-VLLVSFFDSA-N -1 0 319.317 -0.489 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2cnns2)C1 ZINC001601785452 1017884148 /nfs/dbraw/zinc/88/41/48/1017884148.db2.gz YHEJHXQHHPJNKN-JGVFFNPUSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3cnoc3)C[C@H]21 ZINC001601784642 1017884192 /nfs/dbraw/zinc/88/41/92/1017884192.db2.gz WAEBRCMFUIOMET-HKLXJQGRSA-N -1 0 319.317 -0.489 20 0 DBADRM O=C([O-])C1CCC(S(=O)(=O)N[C@H](CO)[C@H]2CCOC2)CC1 ZINC001601799482 1017884355 /nfs/dbraw/zinc/88/43/55/1017884355.db2.gz QGIRDKHMFNIVBA-POSLAHMBSA-N -1 0 321.395 -0.053 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCN1CCN(Cc2cnon2)CC1 ZINC001601784419 1017884425 /nfs/dbraw/zinc/88/44/25/1017884425.db2.gz VYOMLDZEXLKKSY-NWDGAFQWSA-N -1 0 323.353 -0.976 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCc3n[nH]nc3C2)C1=O ZINC001601816183 1017884667 /nfs/dbraw/zinc/88/46/67/1017884667.db2.gz GEWIOWIDJGSJKD-MRVPVSSYSA-N -1 0 307.310 -0.987 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]2C(=O)N(CCN3CCNC3=O)C(=O)N2C1 ZINC001601800502 1017884875 /nfs/dbraw/zinc/88/48/75/1017884875.db2.gz WZILPUXBHCLWOG-BDAKNGLRSA-N -1 0 310.310 -0.861 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)NCCN1CCOCC1 ZINC001601808968 1017884946 /nfs/dbraw/zinc/88/49/46/1017884946.db2.gz CVJKUGYFFRLWPC-NWDGAFQWSA-N -1 0 320.411 -0.119 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)NCCN1CCNC1=O ZINC001601810117 1017885059 /nfs/dbraw/zinc/88/50/59/1017885059.db2.gz KPKFMPQMUWDFKK-UWVGGRQHSA-N -1 0 319.383 -0.426 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]2C(=O)N(CCN3CCNC3=O)C(=O)N2C1 ZINC001601800505 1017885068 /nfs/dbraw/zinc/88/50/68/1017885068.db2.gz WZILPUXBHCLWOG-RKDXNWHRSA-N -1 0 310.310 -0.861 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)NCCN1CCOCC1 ZINC001601808969 1017885472 /nfs/dbraw/zinc/88/54/72/1017885472.db2.gz CVJKUGYFFRLWPC-RYUDHWBXSA-N -1 0 320.411 -0.119 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC[C@@H](CCCO)C2)C1=O ZINC001601817118 1017885499 /nfs/dbraw/zinc/88/54/99/1017885499.db2.gz DUPDGTBHRRQRNH-NEPJUHHUSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)N1CCN(CCO)CC1 ZINC001601808893 1017885520 /nfs/dbraw/zinc/88/55/20/1017885520.db2.gz PFFLGRKIQPSUPL-RYUDHWBXSA-N -1 0 320.411 -0.431 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC(N3CCCC3=O)C2)C1=O ZINC001601818699 1017885772 /nfs/dbraw/zinc/88/57/72/1017885772.db2.gz OHVXLXQFEMRKKB-LLVKDONJSA-N -1 0 323.349 -0.857 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)C1=O ZINC001601818229 1017885869 /nfs/dbraw/zinc/88/58/69/1017885869.db2.gz PYXSHHRRQPHVAD-QNWHQSFQSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C3OCCO3)C2)C1 ZINC001601819775 1017886502 /nfs/dbraw/zinc/88/65/02/1017886502.db2.gz ILQFLEOGDIVFBV-UWVGGRQHSA-N -1 0 312.322 -0.859 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCC[C@@H](CO)CC2)C1=O ZINC001601818184 1017886513 /nfs/dbraw/zinc/88/65/13/1017886513.db2.gz KKFZDFJGWYTNPS-VXGBXAGGSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@](O)(C(F)F)C2)C1=O ZINC001601818369 1017886550 /nfs/dbraw/zinc/88/65/50/1017886550.db2.gz LSSNKXXHNIDNLW-AMIZOPFISA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001601823907 1017886891 /nfs/dbraw/zinc/88/68/91/1017886891.db2.gz QKGIDJAIIQZZBT-ZJUUUORDSA-N -1 0 321.337 -0.123 20 0 DBADRM O=C([O-])C1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC001601839141 1017887439 /nfs/dbraw/zinc/88/74/39/1017887439.db2.gz CNZPHYXUJSGYRJ-UHFFFAOYSA-N -1 0 311.319 -0.973 20 0 DBADRM O=C([O-])[C@H]1CCS(=O)(=O)N1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001601838346 1017887524 /nfs/dbraw/zinc/88/75/24/1017887524.db2.gz VCLZUUGDXMWEJY-OUAUKWLOSA-N -1 0 304.368 -0.662 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2CCCOC(F)F)CCO1 ZINC001601848878 1017888002 /nfs/dbraw/zinc/88/80/02/1017888002.db2.gz BWSMJWSUXIMZKD-ZETCQYMHSA-N -1 0 307.257 -0.408 20 0 DBADRM O=C([O-])[C@@H]1CN(Cn2ncn(-c3ccccc3)c2=O)CCO1 ZINC001601848891 1017888035 /nfs/dbraw/zinc/88/80/35/1017888035.db2.gz OSSRLOWXCAGZLI-LBPRGKRZSA-N -1 0 304.306 -0.223 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CCO1 ZINC001601844468 1017888142 /nfs/dbraw/zinc/88/81/42/1017888142.db2.gz ILINSUINWUQICH-YFKPBYRVSA-N -1 0 323.231 -0.182 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2[C@H]2CO[C@H](C3CC3)C2)CCO1 ZINC001601849658 1017888158 /nfs/dbraw/zinc/88/81/58/1017888158.db2.gz JNUTYMVTMPTBFE-VWYCJHECSA-N -1 0 309.326 -0.297 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CN2C(=O)Cc3ccccc32)CCO1 ZINC001601843445 1017888445 /nfs/dbraw/zinc/88/84/45/1017888445.db2.gz URKLRVQEWIOKHZ-LBPRGKRZSA-N -1 0 304.302 -0.112 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCCC3)CCO1 ZINC001601844043 1017888596 /nfs/dbraw/zinc/88/85/96/1017888596.db2.gz GXHKEBUSEMLODZ-JTQLQIEISA-N -1 0 324.337 -0.917 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc2nccn2c1 ZINC001601854161 1017889936 /nfs/dbraw/zinc/88/99/36/1017889936.db2.gz ROHDYDYLBLYDKY-JTQLQIEISA-N -1 0 323.330 -0.342 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(F)c[nH]c1=O ZINC001601854111 1017890069 /nfs/dbraw/zinc/89/00/69/1017890069.db2.gz PLFKIPPHECPINY-MRVPVSSYSA-N -1 0 318.282 -0.750 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001601852133 1017890110 /nfs/dbraw/zinc/89/01/10/1017890110.db2.gz XITABEDVXDFKBX-UWVGGRQHSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CCOC1CCOCC1 ZINC001601854565 1017890363 /nfs/dbraw/zinc/89/03/63/1017890363.db2.gz PCQCIVMFGBIALF-LLVKDONJSA-N -1 0 307.368 -0.634 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1csc(=O)[nH]1 ZINC001601854448 1017890546 /nfs/dbraw/zinc/89/05/46/1017890546.db2.gz JBBFSJPAHGXMPK-ZCFIWIBFSA-N -1 0 306.321 -0.828 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C1CC1 ZINC001601906968 1017891014 /nfs/dbraw/zinc/89/10/14/1017891014.db2.gz OGEHNQGUXSYAKY-DTWKUNHWSA-N -1 0 323.309 -0.630 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC001601908591 1017891271 /nfs/dbraw/zinc/89/12/71/1017891271.db2.gz HSCJKEUEGUMIFU-JTQLQIEISA-N -1 0 324.337 -0.112 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1ccncc1 ZINC001601900534 1017891720 /nfs/dbraw/zinc/89/17/20/1017891720.db2.gz XWSTVHPJWOIJGV-NXEZZACHSA-N -1 0 313.335 -0.595 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1cccc2c1COC2=O ZINC001601908106 1017891689 /nfs/dbraw/zinc/89/16/89/1017891689.db2.gz AEZBJDMJBAXSKT-ZETCQYMHSA-N -1 0 322.273 -0.753 20 0 DBADRM COCCOCCN1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001498959972 1017891800 /nfs/dbraw/zinc/89/18/00/1017891800.db2.gz NFQVAFXWZHNWPO-LLVKDONJSA-N -1 0 312.370 -0.109 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)CN1C(=O)c2ccccc2C1=O ZINC001601910140 1017892123 /nfs/dbraw/zinc/89/21/23/1017892123.db2.gz KKDISYBTFWUNFJ-QMMMGPOBSA-N -1 0 306.274 -0.766 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)c1cn(Cc2cccs2)nn1 ZINC001601912773 1017892142 /nfs/dbraw/zinc/89/21/42/1017892142.db2.gz NLRNCKWPFIXFKN-MRVPVSSYSA-N -1 0 310.335 -0.047 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)N1CCc2cc(F)ccc21 ZINC001601908942 1017892236 /nfs/dbraw/zinc/89/22/36/1017892236.db2.gz MSGANUFMRIKDQR-SNVBAGLBSA-N -1 0 310.281 -0.333 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Cn1ccc2ccccc2c1=O ZINC001601911899 1017892703 /nfs/dbraw/zinc/89/27/03/1017892703.db2.gz MUFQXYRXLDSSJL-NSHDSACASA-N -1 0 304.302 -0.047 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC001601909469 1017892707 /nfs/dbraw/zinc/89/27/07/1017892707.db2.gz RONJTZWHNIZYRK-LURJTMIESA-N -1 0 320.252 -0.962 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001601909123 1017892712 /nfs/dbraw/zinc/89/27/12/1017892712.db2.gz AFRNDMQIIMOKIQ-QWHCGFSZSA-N -1 0 320.345 -0.013 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1cccc(C2CC2)n1 ZINC001601908943 1017892777 /nfs/dbraw/zinc/89/27/77/1017892777.db2.gz MWQSOSXRTRWQRQ-SECBINFHSA-N -1 0 307.306 -0.151 20 0 DBADRM O=C([O-])CC1(NC(=O)C[C@@H]2CCOC2)CCS(=O)(=O)CC1 ZINC001601925084 1017893315 /nfs/dbraw/zinc/89/33/15/1017893315.db2.gz COLTULUSVSAXPP-JTQLQIEISA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)C(=O)Nc2cccnc2F)CCOC1 ZINC001601924461 1017893500 /nfs/dbraw/zinc/89/35/00/1017893500.db2.gz RSCZKOOSTOJMIJ-ZDUSSCGKSA-N -1 0 311.269 -0.091 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)[C@@H]2CCCS(=O)(=O)C2)CCCOC1 ZINC001601925962 1017893663 /nfs/dbraw/zinc/89/36/63/1017893663.db2.gz WCOGOGYPNDFIPF-MFKMUULPSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])CC1(CN2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC001601915740 1017893865 /nfs/dbraw/zinc/89/38/65/1017893865.db2.gz STORYQAHKNDZQD-UHFFFAOYSA-N -1 0 309.366 -0.336 20 0 DBADRM O=C([O-])CC1(NC(=O)CNS(=O)(=O)c2cccnc2)CC1 ZINC001601927511 1017894321 /nfs/dbraw/zinc/89/43/21/1017894321.db2.gz MWYZMXPJBJANRO-UHFFFAOYSA-N -1 0 313.335 -0.517 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)[C@@H]2CSCC(=O)N2)CCCOC1 ZINC001601930917 1017894355 /nfs/dbraw/zinc/89/43/55/1017894355.db2.gz WAAYZWCHRMJILT-UFBFGSQYSA-N -1 0 302.352 -0.642 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cc1nnc(C2CC2)[nH]1 ZINC001601938646 1017894900 /nfs/dbraw/zinc/89/49/00/1017894900.db2.gz CYERIULJEOIIHL-MRVPVSSYSA-N -1 0 307.310 -0.974 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001601940153 1017895175 /nfs/dbraw/zinc/89/51/75/1017895175.db2.gz RDTXCPGHMLVDAC-KWQFWETISA-N -1 0 306.322 -0.684 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C[C@@H](O)CC1(CO)CCCC1 ZINC001601939051 1017895295 /nfs/dbraw/zinc/89/52/95/1017895295.db2.gz HSLOUSIWCMEFIP-NWDGAFQWSA-N -1 0 314.382 -0.435 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccnn1CC(F)F ZINC001601939317 1017895344 /nfs/dbraw/zinc/89/53/44/1017895344.db2.gz CCZOQGVLONOVRK-MRVPVSSYSA-N -1 0 316.264 -0.437 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cc2c(cn1)OCCC2 ZINC001601940195 1017895419 /nfs/dbraw/zinc/89/54/19/1017895419.db2.gz HBYFKANCXWOKLL-LLVKDONJSA-N -1 0 319.317 -0.178 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1Cc1n[nH]cc1Br ZINC001601939221 1017895505 /nfs/dbraw/zinc/89/55/05/1017895505.db2.gz KBQWALMNBKMILO-QMMMGPOBSA-N -1 0 317.143 -0.053 20 0 DBADRM O=C([O-])CC1CC(NC(=O)NCCC2CS(=O)(=O)C2)C1 ZINC001601943776 1017896405 /nfs/dbraw/zinc/89/64/05/1017896405.db2.gz WPRRNKKWRJRRRQ-UHFFFAOYSA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)Cn1ncn2nccc2c1=O ZINC001601950287 1017896553 /nfs/dbraw/zinc/89/65/53/1017896553.db2.gz PJSZVILXXMQFRV-SECBINFHSA-N -1 0 305.294 -0.643 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cnc2c[nH]nc2c1 ZINC001601940931 1017896690 /nfs/dbraw/zinc/89/66/90/1017896690.db2.gz KFXZVGUDARGOQO-JTQLQIEISA-N -1 0 303.278 -0.627 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)N2CCC=C(F)C2)CCO1 ZINC001601957966 1017897179 /nfs/dbraw/zinc/89/71/79/1017897179.db2.gz LSKGCJUFYZTACR-JTQLQIEISA-N -1 0 300.286 -0.226 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)NCCCn1ccnc1 ZINC001601953324 1017897536 /nfs/dbraw/zinc/89/75/36/1017897536.db2.gz ZCYHMDZDBCLIEK-NSHDSACASA-N -1 0 308.338 -0.145 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC001601952144 1017897614 /nfs/dbraw/zinc/89/76/14/1017897614.db2.gz POSHNLYYIJJFML-YFKTTZPYSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])CC1CCN(C(=O)C(=O)N2CC[C@H](O)[C@@H](F)C2)CC1 ZINC001601954346 1017897845 /nfs/dbraw/zinc/89/78/45/1017897845.db2.gz XAWNARAFVMMUBU-QWRGUYRKSA-N -1 0 316.329 -0.369 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)N2CC[C@H](C3CC3)C2)CCO1 ZINC001601959431 1017898459 /nfs/dbraw/zinc/89/84/59/1017898459.db2.gz WIUIDAWPUOJUGP-RYUDHWBXSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)[C@H]1CCc2nnnn2CC1 ZINC001601964532 1017899160 /nfs/dbraw/zinc/89/91/60/1017899160.db2.gz BYSOJSIESOKRFX-VHSXEESVSA-N -1 0 309.326 -0.672 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001601964530 1017899661 /nfs/dbraw/zinc/89/96/61/1017899661.db2.gz BYSOJSIESOKRFX-NXEZZACHSA-N -1 0 309.326 -0.672 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCCOCC1 ZINC001601965222 1017899664 /nfs/dbraw/zinc/89/96/64/1017899664.db2.gz LMJGCSWQBFSNEN-GHMZBOCLSA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])C[C@H]1CN(c2nnnn2[C@@H]2C[C@@H]3CC[C@H]2O3)CCO1 ZINC001601964879 1017899787 /nfs/dbraw/zinc/89/97/87/1017899787.db2.gz FADGUMIKQHZLOX-UKKRHICBSA-N -1 0 309.326 -0.155 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCCOCC1 ZINC001601965225 1017899855 /nfs/dbraw/zinc/89/98/55/1017899855.db2.gz LMJGCSWQBFSNEN-WDEREUQCSA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])CCC(=O)COC(=O)[C@H]1COCCN1CC(F)F ZINC001601968510 1017899882 /nfs/dbraw/zinc/89/98/82/1017899882.db2.gz GGKDOMVGQSJLPW-SECBINFHSA-N -1 0 309.265 -0.071 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001601987273 1017901411 /nfs/dbraw/zinc/90/14/11/1017901411.db2.gz ZEEXARWMOHGHIN-QWRGUYRKSA-N -1 0 309.384 -0.364 20 0 DBADRM O=C([O-])CCCCC(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001601980443 1017902095 /nfs/dbraw/zinc/90/20/95/1017902095.db2.gz WWTABYPYZCAKMP-AWEZNQCLSA-N -1 0 314.338 -0.625 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1[C@H]1CCN(C2CC2)C1=O ZINC001601968751 1017902158 /nfs/dbraw/zinc/90/21/58/1017902158.db2.gz UGZIBEQWMHBYAA-MNOVXSKESA-N -1 0 316.379 -0.677 20 0 DBADRM O=C([O-])CCCN1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001601991066 1017902575 /nfs/dbraw/zinc/90/25/75/1017902575.db2.gz SZRKXJVZWOZFEC-UHFFFAOYSA-N -1 0 302.356 -0.419 20 0 DBADRM O=C([O-])CC[C@@H]1CCCN(S(=O)(=O)[C@@H]2COC[C@H]2O)C1 ZINC001601977308 1017902756 /nfs/dbraw/zinc/90/27/56/1017902756.db2.gz KVOBMOHTFFEPGZ-HBNTYKKESA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])CCCNC(=O)N1CCS(=O)(=O)C[C@H]1CCO ZINC001601991458 1017903496 /nfs/dbraw/zinc/90/34/96/1017903496.db2.gz HLOCDCVXMVPWBJ-SECBINFHSA-N -1 0 308.356 -0.958 20 0 DBADRM O=C([O-])CCN1CCN(S(=O)(=O)c2c[nH]c(=O)s2)CC1 ZINC001602013024 1017916015 /nfs/dbraw/zinc/91/60/15/1017916015.db2.gz MTWABPLZZUQEFZ-UHFFFAOYSA-N -1 0 321.380 -0.370 20 0 DBADRM O=C([O-])CCCc1nc(CN2CCN3CCOC[C@H]3C2)no1 ZINC001602000724 1017904625 /nfs/dbraw/zinc/90/46/25/1017904625.db2.gz BPVNEYBJLGWMLO-LLVKDONJSA-N -1 0 310.354 -0.007 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NC1(CO)CCCC1 ZINC001602018716 1017919015 /nfs/dbraw/zinc/91/90/15/1017919015.db2.gz DRNRBXBPOMYAAS-UHFFFAOYSA-N -1 0 301.343 -0.428 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCNC(=O)CC12CCC2 ZINC001601999139 1017905377 /nfs/dbraw/zinc/90/53/77/1017905377.db2.gz YFTVKWVYZSIIFR-UHFFFAOYSA-N -1 0 304.368 -0.074 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cnn(CCO)c1 ZINC001602005085 1017907221 /nfs/dbraw/zinc/90/72/21/1017907221.db2.gz UGMANYHAUMWLMO-GFCCVEGCSA-N -1 0 311.338 -0.029 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N[C@H](C[NH+]1CCCCC1)C(=O)[O-] ZINC001601998919 1017907790 /nfs/dbraw/zinc/90/77/90/1017907790.db2.gz ASMNNCXUTLDDAS-SNVBAGLBSA-N -1 0 322.383 -0.290 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCCCn1cccnc1=O ZINC001601999685 1017907856 /nfs/dbraw/zinc/90/78/56/1017907856.db2.gz YQFODJJCPHFJQS-UHFFFAOYSA-N -1 0 303.340 -0.582 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)c2cn3c(n2)COCC3)C1=O ZINC001602011726 1017909357 /nfs/dbraw/zinc/90/93/57/1017909357.db2.gz SDFKDXJCJBPMSL-SNVBAGLBSA-N -1 0 323.305 -0.354 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](OC(=O)[C@]2(O)CCOC2)C1=O ZINC001602012016 1017909836 /nfs/dbraw/zinc/90/98/36/1017909836.db2.gz PKDSMPSTYRAKFZ-RNCFNFMXSA-N -1 0 301.295 -0.853 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CCN(CC(F)F)CC2)C1=O ZINC001602009412 1017910168 /nfs/dbraw/zinc/91/01/68/1017910168.db2.gz GJDBMNAALBCZSW-JTQLQIEISA-N -1 0 305.325 -0.055 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)S(=O)(=O)[C@@H]1COC[C@H]1O ZINC001602006284 1017911512 /nfs/dbraw/zinc/91/15/12/1017911512.db2.gz PHMWIXJXBDSZHL-GMTAPVOTSA-N -1 0 323.367 -0.968 20 0 DBADRM O=C([O-])CCN1CCC[C@H](OC(=O)CCn2ccnn2)C1=O ZINC001602014379 1017914218 /nfs/dbraw/zinc/91/42/18/1017914218.db2.gz KMNPLNOGFBRFNY-JTQLQIEISA-N -1 0 310.310 -0.323 20 0 DBADRM O=C([O-])CCN1CCC[C@H](OC(=O)C[C@H]2COC(=O)C2)C1=O ZINC001602014289 1017914567 /nfs/dbraw/zinc/91/45/67/1017914567.db2.gz KCRTZXQNLZSGDA-UWVGGRQHSA-N -1 0 313.306 -0.052 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)C(=O)C1CCSCC1 ZINC001602016264 1017914739 /nfs/dbraw/zinc/91/47/39/1017914739.db2.gz INOOGGTVOMNPFY-UHFFFAOYSA-N -1 0 316.379 -0.204 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@H]1CCCCS1(=O)=O ZINC001602017122 1017914980 /nfs/dbraw/zinc/91/49/80/1017914980.db2.gz XBJRLQGTCRUKKZ-SECBINFHSA-N -1 0 320.367 -0.949 20 0 DBADRM O=C([O-])CCN1CCC[C@H](N2CCO[C@]3(CCOC3)C2)C1=O ZINC001602014583 1017915708 /nfs/dbraw/zinc/91/57/08/1017915708.db2.gz ZGXAHTXBSDBJGQ-SWLSCSKDSA-N -1 0 312.366 -0.057 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@@H]1CSCCS1 ZINC001602016483 1017915885 /nfs/dbraw/zinc/91/58/85/1017915885.db2.gz KAYAMCLSYZFYHM-QMMMGPOBSA-N -1 0 306.409 -0.068 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CCO[C@@]3(CCCOC3)C2)C1=O ZINC001602016756 1017915929 /nfs/dbraw/zinc/91/59/29/1017915929.db2.gz PVBCBXWTIYPJLU-DOMZBBRYSA-N -1 0 312.366 -0.057 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cn2cccnc2n1 ZINC001602018639 1017918409 /nfs/dbraw/zinc/91/84/09/1017918409.db2.gz SLGOYTKVGPKBSO-UHFFFAOYSA-N -1 0 305.294 -0.560 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCC2(CCO2)CC1 ZINC001602018246 1017918448 /nfs/dbraw/zinc/91/84/48/1017918448.db2.gz SZIMBAJHILPSHT-UHFFFAOYSA-N -1 0 313.354 -0.068 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@H](CO)CC(F)F ZINC001602019099 1017918564 /nfs/dbraw/zinc/91/85/64/1017918564.db2.gz IGHGEMHVBUIHDP-ZETCQYMHSA-N -1 0 311.285 -0.717 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC[C@H](O)C(F)(F)C1 ZINC001602017720 1017919701 /nfs/dbraw/zinc/91/97/01/1017919701.db2.gz HLROLYPRTDDZBJ-QMMMGPOBSA-N -1 0 323.296 -0.621 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cn(CC2CC2)nn1 ZINC001602018098 1017919991 /nfs/dbraw/zinc/91/99/91/1017919991.db2.gz IABNSTLPIMXNSV-UHFFFAOYSA-N -1 0 309.326 -0.601 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCCC1(CO)CCC1 ZINC001602019436 1017920295 /nfs/dbraw/zinc/92/02/95/1017920295.db2.gz LJCYNGCTANHOBP-UHFFFAOYSA-N -1 0 315.370 -0.181 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1cccc(-n2cnnn2)c1 ZINC001602021872 1017921591 /nfs/dbraw/zinc/92/15/91/1017921591.db2.gz RHJUSWCPPLRZSB-UHFFFAOYSA-N -1 0 319.277 -0.590 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC001602022150 1017922122 /nfs/dbraw/zinc/92/21/22/1017922122.db2.gz QEKYFVDEDPBYKF-LLVKDONJSA-N -1 0 321.381 -0.005 20 0 DBADRM O=C([O-])CCNC(=O)CCN[C@@H](c1nc[nH]n1)c1cccnc1 ZINC001602019905 1017922315 /nfs/dbraw/zinc/92/23/15/1017922315.db2.gz PPGRUGLMLZNVEG-CYBMUJFWSA-N -1 0 318.337 -0.140 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NC[C@H]1CCCC[C@@H]1O ZINC001602021023 1017922736 /nfs/dbraw/zinc/92/27/36/1017922736.db2.gz ZTIHJFOZLHXGBY-MNOVXSKESA-N -1 0 315.370 -0.182 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC001602021030 1017923052 /nfs/dbraw/zinc/92/30/52/1017923052.db2.gz ZYDHZCOAABKOAP-XYPYZODXSA-N -1 0 315.370 -0.182 20 0 DBADRM O=C([O-])CCNC(=O)CCN[C@H](c1nc[nH]n1)c1cccnc1 ZINC001602019907 1017924355 /nfs/dbraw/zinc/92/43/55/1017924355.db2.gz PPGRUGLMLZNVEG-ZDUSSCGKSA-N -1 0 318.337 -0.140 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCc1ccccc1CO ZINC001602020427 1017924589 /nfs/dbraw/zinc/92/45/89/1017924589.db2.gz KKDFROYLYVQJJK-UHFFFAOYSA-N -1 0 323.349 -0.041 20 0 DBADRM O=C([O-])CN(C(=O)[C@H]1CCS(=O)(=O)C1)C1CCOCC1 ZINC001602050160 1017926248 /nfs/dbraw/zinc/92/62/48/1017926248.db2.gz ONJHEBXKKKIJHL-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])CN(C(=O)[C@@]1(F)CCS(=O)(=O)C1)C1CCOCC1 ZINC001602050979 1017927264 /nfs/dbraw/zinc/92/72/64/1017927264.db2.gz GRQJGACGMVZHET-GFCCVEGCSA-N -1 0 323.342 -0.395 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)Cc1nc(CO)cs1 ZINC001602054930 1017930747 /nfs/dbraw/zinc/93/07/47/1017930747.db2.gz AABFPSKLTKUKGQ-UHFFFAOYSA-N -1 0 315.395 -0.146 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)COCC(F)F ZINC001602055142 1017931894 /nfs/dbraw/zinc/93/18/94/1017931894.db2.gz ZRTRMOAFZMGDGG-UHFFFAOYSA-N -1 0 310.297 -0.487 20 0 DBADRM O=C([O-])CN(CCC(F)(F)F)C(=O)CN1CCNC(=O)C1 ZINC001602054537 1017932155 /nfs/dbraw/zinc/93/21/55/1017932155.db2.gz ZGBFDTQHANIHHB-UHFFFAOYSA-N -1 0 311.260 -0.716 20 0 DBADRM O=C([O-])CN1CCN(S(=O)(=O)CC[C@H]2CCCCO2)CC1 ZINC001602062417 1017932264 /nfs/dbraw/zinc/93/22/64/1017932264.db2.gz RVZCHBIVUBSALE-GFCCVEGCSA-N -1 0 320.411 -0.022 20 0 DBADRM O=C([O-])CN1CCN(C(=O)c2cc3c(cc2O)OCO3)CC1 ZINC001602062589 1017932306 /nfs/dbraw/zinc/93/23/06/1017932306.db2.gz RVHYDLPMYWGANQ-UHFFFAOYSA-N -1 0 308.290 -0.037 20 0 DBADRM O=C([O-])CN1CCN(S(=O)(=O)CCC2CCOCC2)CC1 ZINC001602062445 1017932993 /nfs/dbraw/zinc/93/29/93/1017932993.db2.gz UJJZUVYIOUBKCR-UHFFFAOYSA-N -1 0 320.411 -0.165 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CC1(O)CCC1 ZINC001602054894 1017933227 /nfs/dbraw/zinc/93/32/27/1017933227.db2.gz LSJXXVYRVSOWJV-UHFFFAOYSA-N -1 0 300.355 -0.463 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1cc2ncccn2n1 ZINC001602064734 1017934271 /nfs/dbraw/zinc/93/42/71/1017934271.db2.gz AJCBCQTYCVYSEA-SNVBAGLBSA-N -1 0 317.305 -0.465 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@]1([C@@H]2CCCCO2)CCCO1 ZINC001602065979 1017934336 /nfs/dbraw/zinc/93/43/36/1017934336.db2.gz NCGQKNMFUKWOJD-IINYFYTJSA-N -1 0 314.338 -0.578 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@]1([C@H]2CCCCO2)CCCO1 ZINC001602065983 1017934742 /nfs/dbraw/zinc/93/47/42/1017934742.db2.gz NCGQKNMFUKWOJD-YGRLFVJLSA-N -1 0 314.338 -0.578 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCn2ncnc21 ZINC001602064476 1017935606 /nfs/dbraw/zinc/93/56/06/1017935606.db2.gz WPBLXBHYFDUUEL-ZJUUUORDSA-N -1 0 321.337 -0.653 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cc2ncccn2n1 ZINC001602064732 1017935958 /nfs/dbraw/zinc/93/59/58/1017935958.db2.gz AJCBCQTYCVYSEA-JTQLQIEISA-N -1 0 317.305 -0.465 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)/C=C\c1cncc(O)c1 ZINC001602064266 1017936174 /nfs/dbraw/zinc/93/61/74/1017936174.db2.gz NFEVAUSJFRCSCB-VSQXVHSFSA-N -1 0 319.317 -0.008 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccns1 ZINC001602065849 1017936706 /nfs/dbraw/zinc/93/67/06/1017936706.db2.gz OQNSOUKKIGBQPF-ZETCQYMHSA-N -1 0 319.364 -0.503 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001602064262 1017937193 /nfs/dbraw/zinc/93/71/93/1017937193.db2.gz MZQNXFLMCHQLBP-SKDRFNHKSA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)CN1CCSC1=O ZINC001602065386 1017937858 /nfs/dbraw/zinc/93/78/58/1017937858.db2.gz GYUUDDKCGMCIPX-MRVPVSSYSA-N -1 0 315.351 -0.653 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccco1 ZINC001602067040 1017938416 /nfs/dbraw/zinc/93/84/16/1017938416.db2.gz XTYSKFSJKPBLEA-MRVPVSSYSA-N -1 0 302.308 -0.367 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1CC(=O)Nc1ccncc1 ZINC001602066587 1017939254 /nfs/dbraw/zinc/93/92/54/1017939254.db2.gz DHPFHMDAUCTTMK-NSHDSACASA-N -1 0 306.322 -0.893 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C[C@H]1CN(C2CC2)C(=O)O1 ZINC001602067506 1017940620 /nfs/dbraw/zinc/94/06/20/1017940620.db2.gz KBSPEZGUHDHDSL-WDEREUQCSA-N -1 0 311.338 -0.365 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC001602066557 1017941491 /nfs/dbraw/zinc/94/14/91/1017941491.db2.gz WMGKOEBHKIBIGC-NSHDSACASA-N -1 0 323.280 -0.364 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1CC(=O)NCc1ccccn1 ZINC001602067194 1017942049 /nfs/dbraw/zinc/94/20/49/1017942049.db2.gz QFRMSRJPUMNOKA-LBPRGKRZSA-N -1 0 320.349 -0.637 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C[C@H]1CN(C2CC2)C(=O)O1 ZINC001602067505 1017942139 /nfs/dbraw/zinc/94/21/39/1017942139.db2.gz KBSPEZGUHDHDSL-QWRGUYRKSA-N -1 0 311.338 -0.365 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cnc2n1CCOC2 ZINC001602068162 1017942259 /nfs/dbraw/zinc/94/22/59/1017942259.db2.gz ZCIUIQZWLCJCBJ-VIFPVBQESA-N -1 0 322.321 -0.781 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc2c([nH]c1=O)CCCC2=O ZINC001602069417 1017942517 /nfs/dbraw/zinc/94/25/17/1017942517.db2.gz FYGIFLWFYSKNRN-UHFFFAOYSA-N -1 0 321.289 -0.763 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001602069632 1017943814 /nfs/dbraw/zinc/94/38/14/1017943814.db2.gz TWMNJOQICFBKHB-UHFFFAOYSA-N -1 0 303.278 -0.598 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC001602069755 1017944296 /nfs/dbraw/zinc/94/42/96/1017944296.db2.gz BHXXPDJMSUPWNP-QMMMGPOBSA-N -1 0 313.335 -0.075 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccc(Cn2ccnc2)c1 ZINC001602069846 1017945075 /nfs/dbraw/zinc/94/50/75/1017945075.db2.gz IRZVOWPRKGBROM-UHFFFAOYSA-N -1 0 316.317 -0.138 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccc(OCC(F)F)n1 ZINC001602069842 1017946196 /nfs/dbraw/zinc/94/61/96/1017946196.db2.gz IMGUHPRMKIRQIZ-UHFFFAOYSA-N -1 0 317.248 -0.344 20 0 DBADRM O=C([O-])COCCNC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2O ZINC001602079380 1017947173 /nfs/dbraw/zinc/94/71/73/1017947173.db2.gz VCAIDOJIHLPCPY-NSHDSACASA-N -1 0 310.306 -0.012 20 0 DBADRM O=C([O-])COCC(=O)N(CCN1CCOCC1)CC1CC1 ZINC001602076061 1017947524 /nfs/dbraw/zinc/94/75/24/1017947524.db2.gz CUXSFLCODYQUMT-UHFFFAOYSA-N -1 0 300.355 -0.342 20 0 DBADRM O=C([O-])COCC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC001602078362 1017948878 /nfs/dbraw/zinc/94/88/78/1017948878.db2.gz COFPZRLZMKNGBQ-UHFFFAOYSA-N -1 0 312.326 -0.745 20 0 DBADRM O=C([O-])COCC(=O)OCC(=O)NC(=O)NCC(F)(F)F ZINC001602077675 1017949182 /nfs/dbraw/zinc/94/91/82/1017949182.db2.gz QBFPPXJIKGQKPD-UHFFFAOYSA-N -1 0 316.188 -0.981 20 0 DBADRM O=C([O-])COCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1F ZINC001602076851 1017949723 /nfs/dbraw/zinc/94/97/23/1017949723.db2.gz ZCEODOSZCTUZTF-ZDUSSCGKSA-N -1 0 310.281 -0.074 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC001602078081 1017950787 /nfs/dbraw/zinc/95/07/87/1017950787.db2.gz WTTLQVIXTPDHAB-UHFFFAOYSA-N -1 0 324.289 -0.386 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)NCC(=O)NCCO)c1 ZINC001602092831 1017953114 /nfs/dbraw/zinc/95/31/14/1017953114.db2.gz GAOQEVBBHPYELZ-UHFFFAOYSA-N -1 0 311.294 -0.620 20 0 DBADRM O=C([O-])Cc1c2ccccc2[nH]c1C(=O)NCC(=O)NCCO ZINC001602117222 1017956839 /nfs/dbraw/zinc/95/68/39/1017956839.db2.gz WIIXYXODEBSAJH-UHFFFAOYSA-N -1 0 319.317 -0.367 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1F ZINC001602132890 1017957615 /nfs/dbraw/zinc/95/76/15/1017957615.db2.gz GCQPWINJZYPASU-GHMZBOCLSA-N -1 0 319.310 -0.509 20 0 DBADRM O=C([O-])Cc1cccc(C(=O)NCCCN2CCNC(=O)C2)c1 ZINC001602132831 1017957636 /nfs/dbraw/zinc/95/76/36/1017957636.db2.gz QHUILVWRESUHHH-UHFFFAOYSA-N -1 0 319.361 -0.135 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N(CCO)CCCO ZINC001602147936 1017959295 /nfs/dbraw/zinc/95/92/95/1017959295.db2.gz GIJRKJJTTYOKBY-UHFFFAOYSA-N -1 0 324.333 -0.545 20 0 DBADRM O=C([O-])Cc1sccc1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001602158603 1017959349 /nfs/dbraw/zinc/95/93/49/1017959349.db2.gz PTPDWBUHFCFTKF-MRVPVSSYSA-N -1 0 323.330 -0.249 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)C(=O)N[C@H]1CCOC1 ZINC001602143070 1017959802 /nfs/dbraw/zinc/95/98/02/1017959802.db2.gz KNUKJVZSRISETF-LBPRGKRZSA-N -1 0 306.318 -0.165 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)C(=O)N1CC=C[C@H]1CO ZINC001602142803 1017959989 /nfs/dbraw/zinc/95/99/89/1017959989.db2.gz IKOALBBILNSPKG-ZDUSSCGKSA-N -1 0 318.329 -0.311 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@@H](CCCO)C2)cn1 ZINC001602163346 1017965100 /nfs/dbraw/zinc/96/51/00/1017965100.db2.gz JCSVKMPBQPMNOW-SNVBAGLBSA-N -1 0 317.367 -0.249 20 0 DBADRM O=C([O-])Cn1cc(CN2CC[C@H](C(=O)N3CCCC3)C2)nn1 ZINC001602160831 1017965124 /nfs/dbraw/zinc/96/51/24/1017965124.db2.gz GGRNLSKJNZGMKC-NSHDSACASA-N -1 0 307.354 -0.193 20 0 DBADRM O=C([O-])Cn1cc(CCS(=O)(=O)Cc2cncs2)nn1 ZINC001602161384 1017965441 /nfs/dbraw/zinc/96/54/41/1017965441.db2.gz OWDHVOAXCNENER-UHFFFAOYSA-N -1 0 316.364 -0.023 20 0 DBADRM O=C([O-])Cn1cc(CN2CC[C@@H](C(=O)N3CCCC3)C2)nn1 ZINC001602160826 1017965575 /nfs/dbraw/zinc/96/55/75/1017965575.db2.gz GGRNLSKJNZGMKC-LLVKDONJSA-N -1 0 307.354 -0.193 20 0 DBADRM O=C([O-])Cn1cc(CCN2CCO[C@@H](C(=O)C3CC3)C2)nn1 ZINC001602159661 1017965711 /nfs/dbraw/zinc/96/57/11/1017965711.db2.gz SQPCYWJRVVRRQM-GFCCVEGCSA-N -1 0 308.338 -0.415 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@H](CCCO)C2)cn1 ZINC001602163345 1017966305 /nfs/dbraw/zinc/96/63/05/1017966305.db2.gz JCSVKMPBQPMNOW-JTQLQIEISA-N -1 0 317.367 -0.249 20 0 DBADRM O=C([O-])Cn1cc(CN[C@H]2CS(=O)(=O)c3ccccc32)nn1 ZINC001602162492 1017966796 /nfs/dbraw/zinc/96/67/96/1017966796.db2.gz XJESGZAVVVEZMW-NSHDSACASA-N -1 0 322.346 -0.019 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CCC(=O)N1CCCC1)c2=O ZINC001602167821 1017967950 /nfs/dbraw/zinc/96/79/50/1017967950.db2.gz YOUNXONCBIVDFO-UHFFFAOYSA-N -1 0 319.321 -0.310 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCC(N2CCNC2=O)CC1 ZINC001602169504 1017968355 /nfs/dbraw/zinc/96/83/55/1017968355.db2.gz KGJGSVWTTLSKCM-VIFPVBQESA-N -1 0 302.306 -0.392 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)c2cccnc2OCCO)n1 ZINC001602167002 1017969753 /nfs/dbraw/zinc/96/97/53/1017969753.db2.gz QTVQBQOYUDPRDJ-UHFFFAOYSA-N -1 0 306.278 -0.014 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC[C@H](CO)CC2CC2)cn1 ZINC001602164092 1017970205 /nfs/dbraw/zinc/97/02/05/1017970205.db2.gz QNMGYIILJTYBQZ-SNVBAGLBSA-N -1 0 317.367 -0.345 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001602170431 1017971302 /nfs/dbraw/zinc/97/13/02/1017971302.db2.gz XBQJKJHKZXBVCY-GZMMTYOYSA-N -1 0 324.330 -0.992 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2C[C@@H]2COCCO2)C[C@H]1C1CC1 ZINC001602190637 1017971763 /nfs/dbraw/zinc/97/17/63/1017971763.db2.gz XRPJBXGQBBIECB-GRYCIOLGSA-N -1 0 323.353 -0.365 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001602197151 1017971808 /nfs/dbraw/zinc/97/18/08/1017971808.db2.gz QQERODNUBYYDCK-YWVKMMECSA-N -1 0 312.301 -0.048 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(c2nnc3n2CCNC3)CC1 ZINC001602194307 1017972526 /nfs/dbraw/zinc/97/25/26/1017972526.db2.gz WGMQNLSXTJABGR-WDEREUQCSA-N -1 0 319.365 -0.192 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2COCCN2)s1 ZINC001602399737 1017994192 /nfs/dbraw/zinc/99/41/92/1017994192.db2.gz ZDKJYDRMZIDZBP-SSDOTTSWSA-N -1 0 306.365 -0.287 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCS(=O)(=O)CCO2)C1 ZINC001602192030 1017973516 /nfs/dbraw/zinc/97/35/16/1017973516.db2.gz YSTFOWHZTCWKJG-VHSXEESVSA-N -1 0 321.351 -0.555 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCC(=O)N2CCOCC2)C1 ZINC001602180823 1017973764 /nfs/dbraw/zinc/97/37/64/1017973764.db2.gz VCIZNMNEHLLNHK-ZJUUUORDSA-N -1 0 320.367 -0.982 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001602192839 1017973831 /nfs/dbraw/zinc/97/38/31/1017973831.db2.gz YMCRNIRCUZDSRY-RHYQMDGZSA-N -1 0 319.379 -0.206 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@@]12CCC(=O)N1CCS2 ZINC001602201612 1017975477 /nfs/dbraw/zinc/97/54/77/1017975477.db2.gz DOALYLJDWJQSKR-JQEORGNBSA-N -1 0 314.363 -0.342 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001602200925 1017975690 /nfs/dbraw/zinc/97/56/90/1017975690.db2.gz FNMPCLOOYRABFE-RCZSTQMZSA-N -1 0 305.352 -0.285 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)NC[C@H]3CCCS3(=O)=O)C[C@@H]21 ZINC001602205511 1017976643 /nfs/dbraw/zinc/97/66/43/1017976643.db2.gz PYDJTBSQNXSWJH-IMSYWVGJSA-N -1 0 302.352 -0.464 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@]2(CCOC2=O)C1 ZINC001602202183 1017976961 /nfs/dbraw/zinc/97/69/61/1017976961.db2.gz VCHKVPFYZUNBDZ-RULNRJAQSA-N -1 0 312.322 -0.175 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNS(=O)(=O)CC[C@@H]1CCCO1 ZINC001602200882 1017977573 /nfs/dbraw/zinc/97/75/73/1017977573.db2.gz DFYVXUMTTYADIK-OUAUKWLOSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CN1C(=O)N[C@H](C[C@H]2CCCO2)C1=O ZINC001602202683 1017977898 /nfs/dbraw/zinc/97/78/98/1017977898.db2.gz YYNPQCKYGQEQQV-GWOFURMSSA-N -1 0 312.322 -0.034 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CN1C(=O)N[C@@H]([C@@H]2CCCOC2)C1=O ZINC001602202306 1017978134 /nfs/dbraw/zinc/97/81/34/1017978134.db2.gz QYSRASACQDXDJQ-CHWFTXMASA-N -1 0 312.322 -0.177 20 0 DBADRM O=C([O-])[C@]12CN(c3nnnn3C[C@@H]3CCCO3)C[C@H]1COCC2 ZINC001602208564 1017979250 /nfs/dbraw/zinc/97/92/50/1017979250.db2.gz WOFPUYFIFNYRFR-COPLHBTASA-N -1 0 323.353 -0.220 20 0 DBADRM O=C([O-])[C@]12CN(c3nnnn3C[C@H]3CCCO3)C[C@H]1COCC2 ZINC001602208567 1017979618 /nfs/dbraw/zinc/97/96/18/1017979618.db2.gz WOFPUYFIFNYRFR-MISXGVKJSA-N -1 0 323.353 -0.220 20 0 DBADRM O=C([O-])c1c(F)ccc(S(=O)(=O)N[C@H]2CNOC2)c1F ZINC001602228785 1017981235 /nfs/dbraw/zinc/98/12/35/1017981235.db2.gz SVSVCPZBJAAJKX-YFKPBYRVSA-N -1 0 308.262 -0.155 20 0 DBADRM O=C([O-])c1c(NC(=O)[C@H]2C[C@]23CCOC3)[nH]nc1OCCO ZINC001602231896 1017981712 /nfs/dbraw/zinc/98/17/12/1017981712.db2.gz CBDJGSVJYJFCNA-UHLUBPPHSA-N -1 0 311.294 -0.156 20 0 DBADRM O=C([O-])c1c(N2C[C@H]3C[C@@]3(O)C2)ncnc1N1C[C@@H]2C[C@]2(O)C1 ZINC001602230366 1017981821 /nfs/dbraw/zinc/98/18/21/1017981821.db2.gz CNFRNUNMPKKHET-NWQDQBDJSA-N -1 0 318.333 -0.683 20 0 DBADRM O=C([O-])c1c(F)ccc(S(=O)(=O)N[C@@H]2CNOC2)c1F ZINC001602228769 1017982943 /nfs/dbraw/zinc/98/29/43/1017982943.db2.gz SVSVCPZBJAAJKX-RXMQYKEDSA-N -1 0 308.262 -0.155 20 0 DBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)NC[C@@]2(O)CCOC2)c1 ZINC001602273645 1017984237 /nfs/dbraw/zinc/98/42/37/1017984237.db2.gz PHKYEPQIUFGCAQ-LBPRGKRZSA-N -1 0 319.310 -0.046 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H](CO)C2CCOCC2)n[nH]1 ZINC001602294614 1017984543 /nfs/dbraw/zinc/98/45/43/1017984543.db2.gz ZTAYMAGMBGZNFK-VIFPVBQESA-N -1 0 319.339 -0.826 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CO[C@H](C3CC3)C2)n[nH]1 ZINC001602294342 1017985331 /nfs/dbraw/zinc/98/53/31/1017985331.db2.gz YJWKNNILSKMWMG-CBAPKCEASA-N -1 0 301.324 -0.046 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN3C(=O)OC[C@H]3C2)on1 ZINC001602290461 1017985911 /nfs/dbraw/zinc/98/59/11/1017985911.db2.gz DJRYHSMNRBLMDV-ZCFIWIBFSA-N -1 0 317.279 -0.802 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC(O)(COCCO)CC2)o1 ZINC001602317163 1017987041 /nfs/dbraw/zinc/98/70/41/1017987041.db2.gz PLGCECRLYOLZDY-UHFFFAOYSA-N -1 0 313.306 -0.046 20 0 DBADRM O=C([O-])c1ccc(C(=O)CN2C(=O)N[C@]3(CCOC3)C2=O)o1 ZINC001602315720 1017987943 /nfs/dbraw/zinc/98/79/43/1017987943.db2.gz DDKQDOVDIIHFEP-ZDUSSCGKSA-N -1 0 308.246 -0.129 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCNc2ncccn2)n[nH]1 ZINC001602296146 1017988091 /nfs/dbraw/zinc/98/80/91/1017988091.db2.gz RWJMWMOVEPLGBC-UHFFFAOYSA-N -1 0 312.311 -0.712 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@H]2C(=O)NCC23CCOCC3)nc1 ZINC001602319279 1017989472 /nfs/dbraw/zinc/98/94/72/1017989472.db2.gz AHHQSJAOKQYDRD-NSHDSACASA-N -1 0 319.317 -0.195 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CCN(C(=O)C3CC3)CC2)n1 ZINC001602313382 1017989713 /nfs/dbraw/zinc/98/97/13/1017989713.db2.gz DZXGKXAALBRYSK-UHFFFAOYSA-N -1 0 306.322 -0.547 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)cn1 ZINC001602320427 1017989830 /nfs/dbraw/zinc/98/98/30/1017989830.db2.gz VDYONZMQBJCLPY-HNNXBMFYSA-N -1 0 321.333 -0.701 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2COCCN2)cs1 ZINC001602295736 1017989902 /nfs/dbraw/zinc/98/99/02/1017989902.db2.gz SGHIUIYSZJBFSG-SSDOTTSWSA-N -1 0 306.365 -0.287 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)[nH]1 ZINC001602318754 1017990598 /nfs/dbraw/zinc/99/05/98/1017990598.db2.gz OHTJOHCSKUOEHT-GHMZBOCLSA-N -1 0 307.306 -0.168 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H](O)[C@H]2CCCO2)cn1 ZINC001602399712 1017993772 /nfs/dbraw/zinc/99/37/72/1017993772.db2.gz LGTILQVINDXWAP-GHMZBOCLSA-N -1 0 316.335 -0.402 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@]2(O)CCSC2)cn1 ZINC001602400418 1017993829 /nfs/dbraw/zinc/99/38/29/1017993829.db2.gz VJYXEZQVXROETJ-NSHDSACASA-N -1 0 318.376 -0.074 20 0 DBADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)CN1CCNCC1=O)C2 ZINC001602416743 1017993924 /nfs/dbraw/zinc/99/39/24/1017993924.db2.gz RRSQXBBYAIWJAB-UHFFFAOYSA-N -1 0 317.345 -0.299 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)cn1 ZINC001602395397 1017995152 /nfs/dbraw/zinc/99/51/52/1017995152.db2.gz FLRPUGOWHPUHEF-CBAPKCEASA-N -1 0 312.303 -0.427 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H](O)[C@@H]2CCCO2)cn1 ZINC001602399714 1017995667 /nfs/dbraw/zinc/99/56/67/1017995667.db2.gz LGTILQVINDXWAP-MNOVXSKESA-N -1 0 316.335 -0.402 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCC(CO)(CO)C2)cc1 ZINC001602394826 1017996245 /nfs/dbraw/zinc/99/62/45/1017996245.db2.gz FOLVGRWTFHXZEC-UHFFFAOYSA-N -1 0 315.347 -0.250 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCn2cnnn2)s1 ZINC001602400198 1017996476 /nfs/dbraw/zinc/99/64/76/1017996476.db2.gz KQUPPWRGWUEFCD-UHFFFAOYSA-N -1 0 303.325 -0.589 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCN2CCCOCC2)o1 ZINC001602399244 1017996546 /nfs/dbraw/zinc/99/65/46/1017996546.db2.gz XKWCYUXODLBGEE-UHFFFAOYSA-N -1 0 318.351 -0.022 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCc3n[nH]nc3C2)c1=O ZINC001602476345 1017997919 /nfs/dbraw/zinc/99/79/19/1017997919.db2.gz SOOUOVJWVPQJRC-UHFFFAOYSA-N -1 0 303.278 -0.751 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CC(n3ccnc3)C2)c1=O ZINC001602474809 1017998657 /nfs/dbraw/zinc/99/86/57/1017998657.db2.gz AXFMYYCVOYWPND-UHFFFAOYSA-N -1 0 302.290 -0.174 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCC[C@]23CCOC3=O)c1=O ZINC001602475903 1017999440 /nfs/dbraw/zinc/99/94/40/1017999440.db2.gz OMGPXPSYXZMCKA-OAHLLOKOSA-N -1 0 320.301 -0.145 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c1=O ZINC001602475695 1017999623 /nfs/dbraw/zinc/99/96/23/1017999623.db2.gz JMQWBHNSODAWOG-QJHLZDNFSA-N -1 0 310.331 -0.722 20 0 DBADRM O=C([O-])c1cccc2c1CN(C(=O)C(=O)N1CC(CO)C1)CC2 ZINC001602458507 1018000406 /nfs/dbraw/zinc/00/04/06/1018000406.db2.gz XYSQYBFNEFZUMR-UHFFFAOYSA-N -1 0 318.329 -0.280 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)NC[C@H](CO)[C@H]1CCOC1 ZINC001602489108 1018001777 /nfs/dbraw/zinc/00/17/77/1018001777.db2.gz RVXDQKOKSCTIAX-DTWKUNHWSA-N -1 0 319.335 -0.099 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N2CC[C@H](CO)[C@H](O)C2)n1 ZINC001602478494 1018002293 /nfs/dbraw/zinc/00/22/93/1018002293.db2.gz AAVFCGLQOFHOSZ-ZYHUDNBSSA-N -1 0 311.338 -0.437 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)n1 ZINC001602477337 1018002649 /nfs/dbraw/zinc/00/26/49/1018002649.db2.gz NZQWGAHVUGPZEA-DTORHVGOSA-N -1 0 313.335 -0.916 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N2CCOC[C@H]2CCO)n1 ZINC001602478702 1018003801 /nfs/dbraw/zinc/00/38/01/1018003801.db2.gz MGTJQJQVEUAKLV-LLVKDONJSA-N -1 0 311.338 -0.029 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)C3(CO)CCOCC3)C2)nn1 ZINC001602500680 1018004230 /nfs/dbraw/zinc/00/42/30/1018004230.db2.gz NXALMOASGJYWDW-UHFFFAOYSA-N -1 0 310.310 -0.851 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)c3cc(=O)[nH]cn3)C2)nn1 ZINC001602496847 1018004495 /nfs/dbraw/zinc/00/44/95/1018004495.db2.gz GJZCVPLJCBHXKI-SSDOTTSWSA-N -1 0 304.266 -0.441 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)[C@@H]3COCCO3)CC2)nn1 ZINC001602493473 1018004796 /nfs/dbraw/zinc/00/47/96/1018004796.db2.gz TYQGNFIFIKUWMN-NSHDSACASA-N -1 0 310.310 -0.445 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)c3ccnc(CO)c3)C2)nn1 ZINC001602498462 1018005101 /nfs/dbraw/zinc/00/51/01/1018005101.db2.gz MNBFUSBEOMTXGR-NSHDSACASA-N -1 0 317.305 -0.049 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(Cc3ncnn3CCF)C2)nn1 ZINC001602500539 1018006888 /nfs/dbraw/zinc/00/68/88/1018006888.db2.gz IXKKFQUAPRGZAU-VIFPVBQESA-N -1 0 309.305 -0.016 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@@H](n3cncn3)C2)nn1 ZINC001602503543 1018007189 /nfs/dbraw/zinc/00/71/89/1018007189.db2.gz KPAKPIDHPBIFRE-SECBINFHSA-N -1 0 320.313 -0.776 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3noc4c3COCC4)C2)nn1 ZINC001602502279 1018007561 /nfs/dbraw/zinc/00/75/61/1018007561.db2.gz QCQISLXGHWTHFM-UHFFFAOYSA-N -1 0 319.277 -0.266 20 0 DBADRM O=C([O-])c1cn(C2CN(CN3CC4(COC4)CC3=O)C2)nn1 ZINC001602502239 1018008140 /nfs/dbraw/zinc/00/81/40/1018008140.db2.gz PPBDCBPMFXZVGK-UHFFFAOYSA-N -1 0 307.310 -0.961 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC(N3CCOC3=O)CC2)nn1 ZINC001602502710 1018008304 /nfs/dbraw/zinc/00/83/04/1018008304.db2.gz KTOLXYLNIDXERD-UHFFFAOYSA-N -1 0 323.309 -0.581 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@H](CO)[C@@H]1CCCOC1 ZINC001602507724 1018009496 /nfs/dbraw/zinc/00/94/96/1018009496.db2.gz KJVSLSNYYJGPID-VXNVDRBHSA-N -1 0 319.339 -0.826 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCC[C@@]1(O)CCCOC1 ZINC001602507084 1018009559 /nfs/dbraw/zinc/00/95/59/1018009559.db2.gz YDLVBLCWIWDYNO-NSHDSACASA-N -1 0 319.339 -0.682 20 0 DBADRM O=C([O-])c1cnc(CCNC(=O)C2CS(=O)(=O)C2)s1 ZINC001602516152 1018010355 /nfs/dbraw/zinc/01/03/55/1018010355.db2.gz GAULIWKRCPQFOG-UHFFFAOYSA-N -1 0 304.349 -0.455 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCc2nc([C@@H]3CCOC3)n[nH]2)cn1 ZINC001602509329 1018010514 /nfs/dbraw/zinc/01/05/14/1018010514.db2.gz YRXMJQNKAXZIRA-SSDOTTSWSA-N -1 0 318.293 -0.273 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)c2ccncn2)nc1 ZINC001602530663 1018012597 /nfs/dbraw/zinc/01/25/97/1018012597.db2.gz RLQNUDCRPINDST-VIFPVBQESA-N -1 0 318.293 -0.832 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)c2ccncc2)nc1 ZINC001602529496 1018012781 /nfs/dbraw/zinc/01/27/81/1018012781.db2.gz HWLKSCCQADMJKG-NSHDSACASA-N -1 0 317.305 -0.227 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)nc1 ZINC001602527735 1018013084 /nfs/dbraw/zinc/01/30/84/1018013084.db2.gz DLDFMVQINNQJCB-PGUXBMHVSA-N -1 0 318.333 -0.094 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)c2ccncc2)nc1 ZINC001602529141 1018013279 /nfs/dbraw/zinc/01/32/79/1018013279.db2.gz HGVFXFXISJZLCY-LLVKDONJSA-N -1 0 317.305 -0.227 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)c2cccnn2)nc1 ZINC001602529338 1018013337 /nfs/dbraw/zinc/01/33/37/1018013337.db2.gz JORBYEAFQKMGOA-VIFPVBQESA-N -1 0 318.293 -0.832 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)c3cccnn3)C2)nc1 ZINC001602526061 1018013516 /nfs/dbraw/zinc/01/35/16/1018013516.db2.gz WEBQBVKCMZZGTK-JTQLQIEISA-N -1 0 314.305 -0.027 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)c2cncnc2)nc1 ZINC001602530665 1018013783 /nfs/dbraw/zinc/01/37/83/1018013783.db2.gz RLZNUJJSEWHJNX-SNVBAGLBSA-N -1 0 318.293 -0.832 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H](O)[C@H](NC(=O)C3CCC3)C2)nc1 ZINC001602528057 1018013835 /nfs/dbraw/zinc/01/38/35/1018013835.db2.gz QQVVAEUZNLJKGM-GHMZBOCLSA-N -1 0 306.322 -0.359 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)nc1 ZINC001602531307 1018014353 /nfs/dbraw/zinc/01/43/53/1018014353.db2.gz ZRCULHPLASABPQ-QMMMGPOBSA-N -1 0 317.309 -0.133 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCO[C@@]3(CCCOC3)C2)c1 ZINC001602545035 1018015121 /nfs/dbraw/zinc/01/51/21/1018015121.db2.gz LUFZLRJLGJCETQ-AWEZNQCLSA-N -1 0 309.322 -0.011 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c1 ZINC001602541299 1018015137 /nfs/dbraw/zinc/01/51/37/1018015137.db2.gz CYJIKOBZKRTNGV-PSASIEDQSA-N -1 0 312.303 -0.427 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)c1 ZINC001602543401 1018015190 /nfs/dbraw/zinc/01/51/90/1018015190.db2.gz HLOCNFADDULCFL-NXEZZACHSA-N -1 0 302.308 -0.792 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCN(C(=O)C3CC3)CC2)c1 ZINC001602545524 1018015398 /nfs/dbraw/zinc/01/53/98/1018015398.db2.gz SPSSOAHWSSHNCJ-UHFFFAOYSA-N -1 0 306.322 -0.338 20 0 DBADRM O=C([O-])c1coc(C(=O)COC(=O)[C@H]2CCS(=O)(=O)N2)c1 ZINC001602550049 1018016338 /nfs/dbraw/zinc/01/63/38/1018016338.db2.gz NEYMEJFOYHABJK-SSDOTTSWSA-N -1 0 317.275 -0.605 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N2CCCn3nncc3C2)c1 ZINC001602541247 1018016910 /nfs/dbraw/zinc/01/69/10/1018016910.db2.gz AXIYAYDFWZMYHV-UHFFFAOYSA-N -1 0 323.334 -0.034 20 0 DBADRM O=C([O-])c1cncc(C(=O)NC[C@]2(OCCO)CCOC2)c1 ZINC001602537464 1018017127 /nfs/dbraw/zinc/01/71/27/1018017127.db2.gz OJWHHVQAAZJVHH-CQSZACIVSA-N -1 0 310.306 -0.322 20 0 DBADRM O=C([O-])c1coc(CNS(=O)(=O)CCn2cccn2)n1 ZINC001602556759 1018018481 /nfs/dbraw/zinc/01/84/81/1018018481.db2.gz VSDIDTNPFODMJC-UHFFFAOYSA-N -1 0 300.296 -0.311 20 0 DBADRM O=C([O-])c1nccc(NC/C=C/CNC(=O)[C@H]2CCCO2)n1 ZINC001602573056 1018019246 /nfs/dbraw/zinc/01/92/46/1018019246.db2.gz FCXFCNLKCWVMNA-TXXBHVLJSA-N -1 0 306.322 -0.140 20 0 DBADRM O=C([O-])c1n[nH]c2c1CN(C(=O)C1(N3CCOCC3)CC1)CC2 ZINC001602565180 1018019455 /nfs/dbraw/zinc/01/94/55/1018019455.db2.gz NPNOCBZNYSMSGW-UHFFFAOYSA-N -1 0 320.349 -0.143 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)[C@]23C[C@H]2CCC3)n1 ZINC001602574131 1018019880 /nfs/dbraw/zinc/01/98/80/1018019880.db2.gz JEILVEYTWVRRHF-HFBDOXOYSA-N -1 0 320.349 -0.324 20 0 DBADRM O=C([O-])c1nccc(N2C[C@@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)n1 ZINC001602574060 1018020026 /nfs/dbraw/zinc/02/00/26/1018020026.db2.gz QQBCPICKEYRKDP-NXEZZACHSA-N -1 0 317.305 -0.518 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001602577146 1018020058 /nfs/dbraw/zinc/02/00/58/1018020058.db2.gz GPVIACYKHVUDDK-DTWKUNHWSA-N -1 0 316.335 -0.856 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)[C@]23C[C@H]2CCC3)n1 ZINC001602574132 1018020267 /nfs/dbraw/zinc/02/02/67/1018020267.db2.gz JEILVEYTWVRRHF-IQMDTDKHSA-N -1 0 320.349 -0.324 20 0 DBADRM O=C([O-])c1nc(N2CC[C@@H](NC(=O)c3nnc[n-]3)C2)cc[nH+]1 ZINC001602574561 1018020648 /nfs/dbraw/zinc/02/06/48/1018020648.db2.gz VCGHHLIOCXYDJG-SSDOTTSWSA-N -1 0 303.282 -0.698 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)Cn3ccnc3)C2)n1 ZINC001602574282 1018021675 /nfs/dbraw/zinc/02/16/75/1018021675.db2.gz GXEUQLMRGMPISZ-JTQLQIEISA-N -1 0 316.321 -0.494 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CC(n2ccnn2)C1 ZINC001602581756 1018022312 /nfs/dbraw/zinc/02/23/12/1018022312.db2.gz GYADJNGWQRPRNI-UHFFFAOYSA-N -1 0 307.266 -0.436 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1CCC2(C1)OCCO2 ZINC001602587324 1018022927 /nfs/dbraw/zinc/02/29/27/1018022927.db2.gz MBIZOONDFCPHIG-UHFFFAOYSA-N -1 0 320.348 -0.021 20 0 DBADRM O=C([O-])c1nccnc1NCCNS(=O)(=O)c1cccnc1 ZINC001602579661 1018022999 /nfs/dbraw/zinc/02/29/99/1018022999.db2.gz HPLUBHILTXNUIL-UHFFFAOYSA-N -1 0 323.334 -0.040 20 0 DBADRM O=C([O-])C1CCN(C(=O)COC(=O)c2cc3n(n2)CCO3)CC1 ZINC001602611947 1018023184 /nfs/dbraw/zinc/02/31/84/1018023184.db2.gz ZIVXEVGARUBOEF-UHFFFAOYSA-N -1 0 323.305 -0.245 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001602584716 1018023323 /nfs/dbraw/zinc/02/33/23/1018023323.db2.gz JEMMYMNDAFVAON-BDAKNGLRSA-N -1 0 314.294 -0.909 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001602582119 1018023354 /nfs/dbraw/zinc/02/33/54/1018023354.db2.gz DXAMVHGGJDRKRE-ZETCQYMHSA-N -1 0 322.277 -0.932 20 0 DBADRM O=C([O-])c1ncoc1CNC(=O)[C@H]1COCCN1CC(F)F ZINC001602582035 1018023414 /nfs/dbraw/zinc/02/34/14/1018023414.db2.gz NPIDHCLDTZRFOL-SSDOTTSWSA-N -1 0 319.264 -0.045 20 0 DBADRM O=C([O-])c1nccnc1NCC1(O)CCS(=O)(=O)CC1 ZINC001602581554 1018023511 /nfs/dbraw/zinc/02/35/11/1018023511.db2.gz XSJAZICNEXBMIU-UHFFFAOYSA-N -1 0 301.324 -0.474 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)N1CCSC[C@H]1CO ZINC001602578660 1018023742 /nfs/dbraw/zinc/02/37/42/1018023742.db2.gz ZHTMNRUHEANFBA-MRVPVSSYSA-N -1 0 318.376 -0.122 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2ccccc2Cn2ccnn2)C1 ZINC001602627471 1018024322 /nfs/dbraw/zinc/02/43/22/1018024322.db2.gz USRLXCWVZPAGQF-HNNXBMFYSA-N -1 0 316.317 -0.012 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccc3nnc(C(F)F)n3c2)C1 ZINC001602625913 1018024557 /nfs/dbraw/zinc/02/45/57/1018024557.db2.gz GLRNZLPFDPNSJU-UHFFFAOYSA-N -1 0 312.232 -0.062 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2ccccc2-n2ccnn2)C1 ZINC001602627543 1018024846 /nfs/dbraw/zinc/02/48/46/1018024846.db2.gz YOKJFIBFQARDGY-AWEZNQCLSA-N -1 0 302.290 -0.071 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2ccccc2Cn2ccnn2)C1 ZINC001602627472 1018025116 /nfs/dbraw/zinc/02/51/16/1018025116.db2.gz USRLXCWVZPAGQF-OAHLLOKOSA-N -1 0 316.317 -0.012 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001602627925 1018025132 /nfs/dbraw/zinc/02/51/32/1018025132.db2.gz RGYSCMNBQVXGQN-SECBINFHSA-N -1 0 308.216 -0.542 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cccc3nc[nH]c(=O)c32)C1 ZINC001602628619 1018025338 /nfs/dbraw/zinc/02/53/38/1018025338.db2.gz YWKWDJDIGAFGHR-CQSZACIVSA-N -1 0 303.274 -0.003 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)c2ccc3c(n2)OCCO3)CC1 ZINC001602626099 1018025438 /nfs/dbraw/zinc/02/54/38/1018025438.db2.gz NGAFLYJFCABMBA-UHFFFAOYSA-N -1 0 308.290 -0.096 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)c2ccnc(-n3cncn3)c2)CC1 ZINC001602626910 1018025459 /nfs/dbraw/zinc/02/54/59/1018025459.db2.gz XYRZCZGDMGLJNQ-UHFFFAOYSA-N -1 0 317.305 -0.286 20 0 DBADRM O=C([O-])C1(O)CN(c2ccnc(C(=O)N3CCOCC3)c2)C1 ZINC001602623036 1018025567 /nfs/dbraw/zinc/02/55/67/1018025567.db2.gz UCVZWWCMJGZZHX-UHFFFAOYSA-N -1 0 307.306 -0.810 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2ccc(N3CCC(O)CC3)cc2)C1 ZINC001602625984 1018025591 /nfs/dbraw/zinc/02/55/91/1018025591.db2.gz QCBGOOTYONTWDA-UHFFFAOYSA-N -1 0 320.345 -0.081 20 0 DBADRM O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001602634223 1018026810 /nfs/dbraw/zinc/02/68/10/1018026810.db2.gz WEZZQRZBABCQHX-RAWPJBQPSA-N -1 0 324.333 -0.432 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)c2ccccc2O1 ZINC001602633976 1018027011 /nfs/dbraw/zinc/02/70/11/1018027011.db2.gz SAGTXLMNDQPCQE-KWQFWETISA-N -1 0 318.285 -0.082 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(C(=O)[C@H]1CCNC(=O)C1)CC2 ZINC001602632285 1018027765 /nfs/dbraw/zinc/02/77/65/1018027765.db2.gz MDJUWVCSVNZQHY-VIFPVBQESA-N -1 0 309.322 -0.265 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CCC2(CC(=O)N2)CC1 ZINC001602635267 1018028076 /nfs/dbraw/zinc/02/80/76/1018028076.db2.gz MPFXVTWTSZRGCS-UHFFFAOYSA-N -1 0 323.305 -0.230 20 0 DBADRM O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001602634160 1018028344 /nfs/dbraw/zinc/02/83/44/1018028344.db2.gz VRGQQPXZWMKWCD-MWLCHTKSSA-N -1 0 322.292 -0.010 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)c2ccccc2O1 ZINC001602633974 1018028452 /nfs/dbraw/zinc/02/84/52/1018028452.db2.gz SAGTXLMNDQPCQE-GZMMTYOYSA-N -1 0 318.285 -0.082 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)[C@]23CCC(=O)N2CCS3)CC1 ZINC001602642266 1018029108 /nfs/dbraw/zinc/02/91/08/1018029108.db2.gz VNTWBLGCFDHAHL-CYBMUJFWSA-N -1 0 314.363 -0.510 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N[C@H]1CCNC(=O)CC1 ZINC001602638698 1018029617 /nfs/dbraw/zinc/02/96/17/1018029617.db2.gz JIGUJDQBGHQNTF-ZCFIWIBFSA-N -1 0 319.364 -0.212 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC[C@@H](N3CCCC3=O)C2)CC1 ZINC001602644181 1018029796 /nfs/dbraw/zinc/02/97/96/1018029796.db2.gz TVZZHQODDCLOHI-SNVBAGLBSA-N -1 0 316.379 -0.122 20 0 DBADRM O=C([O-])C1([C@@]2(O)CCCN(C(=O)[C@H]3CCC(=O)N3)C2)CCC1 ZINC001602641825 1018030178 /nfs/dbraw/zinc/03/01/78/1018030178.db2.gz GOMWSYKFNMHMIG-MEBBXXQBSA-N -1 0 310.350 -0.127 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CC(N3CCCC3=O)C2)C1 ZINC001602644222 1018030644 /nfs/dbraw/zinc/03/06/44/1018030644.db2.gz VQOPACUGBKPNIJ-WAAGHKOSSA-N -1 0 302.352 -0.514 20 0 DBADRM O=C([O-])c1cc2c(cc1NCC(=O)N1CCNC(=O)C1)OCO2 ZINC001602650150 1018031041 /nfs/dbraw/zinc/03/10/41/1018031041.db2.gz ZLZIAHRMWDPOAH-UHFFFAOYSA-N -1 0 321.289 -0.516 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)[C@H]2CCCC(=O)N2)n1 ZINC001602645954 1018031453 /nfs/dbraw/zinc/03/14/53/1018031453.db2.gz SBADEYFJSHSMEA-SECBINFHSA-N -1 0 321.337 -0.816 20 0 DBADRM O=C([O-])[C@H](Cc1ccc(F)cc1)OC(=O)CN1CC(=O)NC1=O ZINC001602650211 1018031507 /nfs/dbraw/zinc/03/15/07/1018031507.db2.gz FNKOGNWUPDTSIQ-JTQLQIEISA-N -1 0 324.264 -0.084 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC001602645018 1018031604 /nfs/dbraw/zinc/03/16/04/1018031604.db2.gz UAMSLVMIHWYYKX-NSHDSACASA-N -1 0 313.331 -0.071 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N2CC(=O)NCC23COC3)n1 ZINC001602649775 1018031737 /nfs/dbraw/zinc/03/17/37/1018031737.db2.gz YEXPIAKFKAIDBE-UHFFFAOYSA-N -1 0 322.321 -0.911 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CN1CCNC(=O)C1)Cc1ccccc1 ZINC001602648544 1018031950 /nfs/dbraw/zinc/03/19/50/1018031950.db2.gz DVNNWRIKVGGOFX-ZDUSSCGKSA-N -1 0 319.361 -0.522 20 0 DBADRM O=C([O-])[C@@H](Cc1ccc(F)cc1)OC(=O)CN1CC(=O)NC1=O ZINC001602650212 1018032058 /nfs/dbraw/zinc/03/20/58/1018032058.db2.gz FNKOGNWUPDTSIQ-SNVBAGLBSA-N -1 0 324.264 -0.084 20 0 DBADRM O=C([O-])c1cccc(CC(=O)OCC(=O)N2CCNC(=O)C2)c1 ZINC001602648714 1018032200 /nfs/dbraw/zinc/03/22/00/1018032200.db2.gz HXNYNSOHIBUIRP-UHFFFAOYSA-N -1 0 320.301 -0.571 20 0 DBADRM O=C(CN1CCNC(=O)C1)NC[C@@H](Oc1ccccc1)C(=O)[O-] ZINC001602648483 1018032411 /nfs/dbraw/zinc/03/24/11/1018032411.db2.gz BLGCZNWYAJVGKA-GFCCVEGCSA-N -1 0 321.333 -0.933 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC001602644855 1018032549 /nfs/dbraw/zinc/03/25/49/1018032549.db2.gz OGOBIWLKEYTFLN-UHFFFAOYSA-N -1 0 311.319 -0.267 20 0 DBADRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)CN1CCC(=O)NC1=O ZINC001602646335 1018032659 /nfs/dbraw/zinc/03/26/59/1018032659.db2.gz FUEGRCYHDKMLDE-RXMQYKEDSA-N -1 0 311.216 -0.550 20 0 DBADRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)NC[C@@H]2CCC(=O)N2)c1 ZINC001602646932 1018032914 /nfs/dbraw/zinc/03/29/14/1018032914.db2.gz CNUTTXXTGJOVHR-QMMMGPOBSA-N -1 0 323.280 -0.143 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001602649587 1018032948 /nfs/dbraw/zinc/03/29/48/1018032948.db2.gz UPRWIEKZTACUGH-XWLWVQCSSA-N -1 0 323.349 -0.765 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccccc1F ZINC001602652826 1018033437 /nfs/dbraw/zinc/03/34/37/1018033437.db2.gz GPDDDJJUIREFCI-WCBMZHEXSA-N -1 0 309.253 -0.334 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1cccc2c1NC(=O)CO2 ZINC001602652907 1018033518 /nfs/dbraw/zinc/03/35/18/1018033518.db2.gz JDLJPXBNOPOHNE-QPUJVOFHSA-N -1 0 306.274 -0.011 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]1CCCC2 ZINC001602652753 1018033560 /nfs/dbraw/zinc/03/35/60/1018033560.db2.gz BOLLBUYDUBCYLB-TVLCNXBWSA-N -1 0 309.322 -0.312 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cccc3c2NC(=O)CO3)CCO1 ZINC001602651979 1018033812 /nfs/dbraw/zinc/03/38/12/1018033812.db2.gz DJCWWQLQEUOPBZ-SNVBAGLBSA-N -1 0 306.274 -0.057 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccc(F)cc1 ZINC001602653757 1018033830 /nfs/dbraw/zinc/03/38/30/1018033830.db2.gz VOLLWEYOQZEKCD-ZJUUUORDSA-N -1 0 323.280 -0.292 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1O)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001602653765 1018033955 /nfs/dbraw/zinc/03/39/55/1018033955.db2.gz WAIJVCSPDUMWMW-IUCAKERBSA-N -1 0 321.289 -0.898 20 0 DBADRM O=C([O-])c1cccc2c1CCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001602653529 1018034045 /nfs/dbraw/zinc/03/40/45/1018034045.db2.gz UIBTZJVKLHQYIA-VIFPVBQESA-N -1 0 303.274 -0.128 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 ZINC001602651627 1018034061 /nfs/dbraw/zinc/03/40/61/1018034061.db2.gz KSAUZEHMIGCLIQ-GHMZBOCLSA-N -1 0 305.290 -0.491 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CSCC(=O)N1)c1ccc(O)cc1 ZINC001602654112 1018034265 /nfs/dbraw/zinc/03/42/65/1018034265.db2.gz UNKVWBOKVMSBJS-ONGXEEELSA-N -1 0 310.331 -0.134 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CSCC(=O)N1)c1ccc(O)cc1 ZINC001602654111 1018034633 /nfs/dbraw/zinc/03/46/33/1018034633.db2.gz UNKVWBOKVMSBJS-GXSJLCMTSA-N -1 0 310.331 -0.134 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)c2ccnc3c2CC(=O)N3)CC1 ZINC001602653982 1018035117 /nfs/dbraw/zinc/03/51/17/1018035117.db2.gz ZGQZCGDYTOHHSF-LBPRGKRZSA-N -1 0 319.317 -0.126 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Nc2ccc3c(c2)NC(=O)CO3)C1 ZINC001602651959 1018035132 /nfs/dbraw/zinc/03/51/32/1018035132.db2.gz CCRRRTRCWQFLHO-UHFFFAOYSA-N -1 0 307.262 -0.319 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CSCC(=O)N1)C1CCOCC1 ZINC001602653573 1018035193 /nfs/dbraw/zinc/03/51/93/1018035193.db2.gz KBVXBPFPEBYHGV-WCBMZHEXSA-N -1 0 302.352 -0.786 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC001602656868 1018035597 /nfs/dbraw/zinc/03/55/97/1018035597.db2.gz ZRBSCXXDVZBBTC-ZHAHWJHGSA-N -1 0 304.302 -0.092 20 0 DBADRM O=C([O-])c1nc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cs1 ZINC001602654791 1018036518 /nfs/dbraw/zinc/03/65/18/1018036518.db2.gz DWSLRDLCYOPRLA-GFCCVEGCSA-N -1 0 324.318 -0.345 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001499235244 1018036437 /nfs/dbraw/zinc/03/64/37/1018036437.db2.gz CYJCZWRPLBGLDW-GJMOJQLCSA-N -1 0 309.326 -0.437 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)C[C@H]1NC(=O)c2ccccc21 ZINC001602656867 1018036881 /nfs/dbraw/zinc/03/68/81/1018036881.db2.gz ZRBSCXXDVZBBTC-FXAINCCUSA-N -1 0 304.302 -0.092 20 0 DBADRM O=C([O-])c1nc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cs1 ZINC001602654792 1018036903 /nfs/dbraw/zinc/03/69/03/1018036903.db2.gz DWSLRDLCYOPRLA-LBPRGKRZSA-N -1 0 324.318 -0.345 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCC([C@H]3COC(=O)N3)CC2)C(=O)O1 ZINC001602655384 1018037287 /nfs/dbraw/zinc/03/72/87/1018037287.db2.gz GOSMJXRYFQOCKC-ZJUUUORDSA-N -1 0 313.310 -0.330 20 0 DBADRM O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1C(=O)[C@@H]1CCNC1=O ZINC001602658138 1018037798 /nfs/dbraw/zinc/03/77/98/1018037798.db2.gz IZCIHEROVSGUHT-NEPJUHHUSA-N -1 0 304.302 -0.134 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCC[C@H]3CCNC(=O)[C@H]32)CCC1 ZINC001602659830 1018039260 /nfs/dbraw/zinc/03/92/60/1018039260.db2.gz TZJYIOXAWBTODT-UWVGGRQHSA-N -1 0 316.379 -0.076 20 0 DBADRM O=CN1CCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001602663455 1018039311 /nfs/dbraw/zinc/03/93/11/1018039311.db2.gz RSGYVGOMNKJVLM-ZYHUDNBSSA-N -1 0 321.337 -0.239 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](S(=O)(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)C1 ZINC001602659962 1018039732 /nfs/dbraw/zinc/03/97/32/1018039732.db2.gz YVSIRJHDUWDBOJ-AXTSPUMRSA-N -1 0 318.351 -0.390 20 0 DBADRM O=Cc1ccccc1OCC(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001602668665 1018041932 /nfs/dbraw/zinc/04/19/32/1018041932.db2.gz JCBXETUQJZVLBO-LLVKDONJSA-N -1 0 318.289 -0.261 20 0 DBADRM COc1cc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)ccn1 ZINC001499275494 1018053893 /nfs/dbraw/zinc/05/38/93/1018053893.db2.gz VATWEVSZXIPGQP-UHFFFAOYSA-N -1 0 318.337 -0.034 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@H](C)C(=O)[O-])C1 ZINC001602751418 1018056706 /nfs/dbraw/zinc/05/67/06/1018056706.db2.gz XYBWMGMQDGUTSI-PSASIEDQSA-N -1 0 300.311 -0.623 20 0 DBADRM CC(=O)C[C@@H](C)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001602737642 1018057793 /nfs/dbraw/zinc/05/77/93/1018057793.db2.gz TTYUILGWULPNNU-MRVPVSSYSA-N -1 0 305.352 -0.250 20 0 DBADRM CC(=O)N1C[C@@H](C(=O)OCC(=O)C(=O)[O-])Oc2ccccc21 ZINC001602744337 1018058065 /nfs/dbraw/zinc/05/80/65/1018058065.db2.gz PBIQZQWOSOSJIG-LBPRGKRZSA-N -1 0 307.258 -0.003 20 0 DBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@@H](C)C(=O)[O-])c2C1 ZINC001602753417 1018059342 /nfs/dbraw/zinc/05/93/42/1018059342.db2.gz PSXRTKQUIJCYLW-WCBMZHEXSA-N -1 0 308.338 -0.216 20 0 DBADRM CC(=O)NCCN(C(=O)C(=O)OC(C)(C)C)[C@H](C)C(=O)[O-] ZINC001602754166 1018059540 /nfs/dbraw/zinc/05/95/40/1018059540.db2.gz ZJBPWNUSYZWRNX-MRVPVSSYSA-N -1 0 302.327 -0.234 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cn2)CCO1 ZINC001602754195 1018059849 /nfs/dbraw/zinc/05/98/49/1018059849.db2.gz ZOQMNKQIQARKRK-LLVKDONJSA-N -1 0 307.306 -0.243 20 0 DBADRM CC(=O)NCCN(C(=O)c1cn(C)ccc1=O)[C@@H](C)C(=O)[O-] ZINC001602757852 1018061251 /nfs/dbraw/zinc/06/12/51/1018061251.db2.gz OVUCLOWWXCLGSD-VIFPVBQESA-N -1 0 309.322 -0.563 20 0 DBADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccnn1C)N1CCN(C)CC1 ZINC001602788598 1018062190 /nfs/dbraw/zinc/06/21/90/1018062190.db2.gz GZSZOLBSTKNNGQ-CMPLNLGQSA-N -1 0 309.370 -0.702 20 0 DBADRM C[C@@H](C(=O)NC1(C(=O)[O-])CCOCC1)[C@H](C)S(C)(=O)=O ZINC001602788292 1018063964 /nfs/dbraw/zinc/06/39/64/1018063964.db2.gz DTLGHZAATGDYSS-BDAKNGLRSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@H]([C@@H](C)C(=O)NC1(C(=O)[O-])CCOCC1)S(C)(=O)=O ZINC001602788298 1018063994 /nfs/dbraw/zinc/06/39/94/1018063994.db2.gz DTLGHZAATGDYSS-RKDXNWHRSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC001602802256 1018067202 /nfs/dbraw/zinc/06/72/02/1018067202.db2.gz SWXFEEQUIUZHMJ-VHSXEESVSA-N -1 0 318.337 -0.118 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)OCC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC001602808742 1018067664 /nfs/dbraw/zinc/06/76/64/1018067664.db2.gz DHYIJRMCHBZVAT-SSDOTTSWSA-N -1 0 315.303 -0.219 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(N2C(=O)N[C@]3(CCOC3)C2=O)n1 ZINC001602838561 1018070231 /nfs/dbraw/zinc/07/02/31/1018070231.db2.gz SPSDPTQWYSNPBY-ZDUSSCGKSA-N -1 0 308.294 -0.082 20 0 DBADRM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](NC(=O)C(=O)[O-])CO2 ZINC001602881750 1018072981 /nfs/dbraw/zinc/07/29/81/1018072981.db2.gz IXBBORRCOTVGSH-QMMMGPOBSA-N -1 0 300.311 -0.034 20 0 DBADRM CC(C)(C)N1C[C@@H](CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1=O ZINC001602868078 1018073056 /nfs/dbraw/zinc/07/30/56/1018073056.db2.gz DOBIDEQMLCORMC-SCZZXKLOSA-N -1 0 311.338 -0.021 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001602912136 1018075136 /nfs/dbraw/zinc/07/51/36/1018075136.db2.gz LINHEJDEMUHZFI-HRDYMLBCSA-N -1 0 302.327 -0.149 20 0 DBADRM CC(C)(CC(=O)[O-])NC(=O)c1nc2ncc(CCO)cn2n1 ZINC001602933743 1018076789 /nfs/dbraw/zinc/07/67/89/1018076789.db2.gz JOQTTYYIBNJLTP-UHFFFAOYSA-N -1 0 307.310 -0.358 20 0 DBADRM CC(C)(CCNC(=O)NC[C@H](O)CS(C)(=O)=O)C(=O)[O-] ZINC001602940766 1018083499 /nfs/dbraw/zinc/08/34/99/1018083499.db2.gz XEURHLMSLFFCLM-QMMMGPOBSA-N -1 0 310.372 -0.808 20 0 DBADRM CC(C)(CCNC(=O)N1CCS(=O)(=O)CCO1)C(=O)[O-] ZINC001602940747 1018083593 /nfs/dbraw/zinc/08/35/93/1018083593.db2.gz WGYRRUYIJSNIOG-UHFFFAOYSA-N -1 0 308.356 -0.141 20 0 DBADRM C/C(=C/CN1CCCN(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC001602961986 1018084544 /nfs/dbraw/zinc/08/45/44/1018084544.db2.gz BIMNMIAXHUVXOP-WZUFQYTHSA-N -1 0 305.400 -0.169 20 0 DBADRM C[C@@H](Cc1c[nH]cn1)C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001499376370 1018084568 /nfs/dbraw/zinc/08/45/68/1018084568.db2.gz CWQHKEAVASUZTP-VIFPVBQESA-N -1 0 319.369 -0.149 20 0 DBADRM C/C(=C\C(=O)[O-])CN(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001602954187 1018085087 /nfs/dbraw/zinc/08/50/87/1018085087.db2.gz CRDOHCUWMBNPLU-CYNRKNSPSA-N -1 0 304.368 -0.748 20 0 DBADRM CC(C)(CNC(=O)c1cn(CC(=O)[O-])nn1)N1CCOCC1 ZINC001602948281 1018085379 /nfs/dbraw/zinc/08/53/79/1018085379.db2.gz QWDHBAMUUNRSEA-UHFFFAOYSA-N -1 0 311.342 -0.797 20 0 DBADRM C/C(=C\CN1CCCN(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC001602961985 1018085578 /nfs/dbraw/zinc/08/55/78/1018085578.db2.gz BIMNMIAXHUVXOP-VZUCSPMQSA-N -1 0 305.400 -0.169 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001602964227 1018085630 /nfs/dbraw/zinc/08/56/30/1018085630.db2.gz CBXUKVADOAGGDQ-MFKMUULPSA-N -1 0 319.379 -0.241 20 0 DBADRM CC(C)(O)C1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001602954578 1018085751 /nfs/dbraw/zinc/08/57/51/1018085751.db2.gz IMLITVCWMFTCAL-UHFFFAOYSA-N -1 0 310.310 -0.865 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001602964547 1018086181 /nfs/dbraw/zinc/08/61/81/1018086181.db2.gz FESPVHWPTJBZFO-KXUCPTDWSA-N -1 0 306.384 -0.274 20 0 DBADRM CC(C)[C@H](CNC(=O)NC[C@]1(CO)COCCN1C)C(=O)[O-] ZINC001602983391 1018088239 /nfs/dbraw/zinc/08/82/39/1018088239.db2.gz PBIFZTLJTZGJOB-FZMZJTMJSA-N -1 0 317.386 -0.665 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCc1nnc2c(=O)n(C)ccn12 ZINC001602970504 1018089292 /nfs/dbraw/zinc/08/92/92/1018089292.db2.gz WFQFHPAYDMRRRO-SECBINFHSA-N -1 0 307.310 -0.599 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCCN1CCC2(C1)OCCO2 ZINC001602970084 1018090453 /nfs/dbraw/zinc/09/04/53/1018090453.db2.gz KUXUXEVRDHPNPH-LLVKDONJSA-N -1 0 300.355 -0.092 20 0 DBADRM C[C@H](C(=O)N1CCC2(CCO2)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603001241 1018092970 /nfs/dbraw/zinc/09/29/70/1018092970.db2.gz UBFJHXBMMRSSAM-SECBINFHSA-N -1 0 318.341 -0.199 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCC[C@H]1CCO)n1cnc(-c2nnn[n-]2)n1 ZINC001603007360 1018093300 /nfs/dbraw/zinc/09/33/00/1018093300.db2.gz BOXSEYOXVYNHOL-KXUCPTDWSA-N -1 0 320.357 -0.314 20 0 DBADRM CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001602999627 1018094672 /nfs/dbraw/zinc/09/46/72/1018094672.db2.gz IDVBMBYCTBWSIB-SNVBAGLBSA-N -1 0 324.337 -0.210 20 0 DBADRM C[C@@H](C(=O)N1CCO[C@H](CCF)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001603003134 1018094837 /nfs/dbraw/zinc/09/48/37/1018094837.db2.gz CQMIYWWXFJNYIB-DTWKUNHWSA-N -1 0 324.320 -0.394 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCC[C@@H]1CCO)n1cnc(-c2nnn[n-]2)n1 ZINC001603007361 1018095658 /nfs/dbraw/zinc/09/56/58/1018095658.db2.gz BOXSEYOXVYNHOL-OPRDCNLKSA-N -1 0 320.357 -0.314 20 0 DBADRM C[C@H](C(=O)NC[C@H]1COC(C)(C)O1)n1cnc(-c2nnn[n-]2)n1 ZINC001603017166 1018096611 /nfs/dbraw/zinc/09/66/11/1018096611.db2.gz YYNIQSJQHUGNKA-SFYZADRCSA-N -1 0 322.329 -0.713 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCCC1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001603013282 1018096719 /nfs/dbraw/zinc/09/67/19/1018096719.db2.gz SUDIIPOEBAVYFF-JGVFFNPUSA-N -1 0 304.314 -0.495 20 0 DBADRM C[C@H](C(=O)NCCc1cnccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001603017483 1018098246 /nfs/dbraw/zinc/09/82/46/1018098246.db2.gz SQSNLDOSQURLLI-MRVPVSSYSA-N -1 0 314.313 -0.832 20 0 DBADRM C[C@H](C(=O)NCC(=O)OCC1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603009301 1018099938 /nfs/dbraw/zinc/09/99/38/1018099938.db2.gz AFQNOEYZOPRMSK-SSDOTTSWSA-N -1 0 320.313 -0.911 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CC[C@H](O)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603022902 1018102733 /nfs/dbraw/zinc/10/27/33/1018102733.db2.gz FYMFRABDHDQSPB-CIUDSAMLSA-N -1 0 306.330 -0.561 20 0 DBADRM CC(=O)N1CCO[C@H](C(=O)N2CCSC[C@H]2CC(=O)[O-])C1 ZINC001603026037 1018103056 /nfs/dbraw/zinc/10/30/56/1018103056.db2.gz NZGIZKINGGCTPL-MNOVXSKESA-N -1 0 316.379 -0.348 20 0 DBADRM CC(C)COCCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001603030811 1018104124 /nfs/dbraw/zinc/10/41/24/1018104124.db2.gz RIQKSIXKJWOQSR-JTQLQIEISA-N -1 0 307.368 -0.241 20 0 DBADRM C[C@H](C(=O)Nc1ccc(=O)[nH]n1)n1cnc(-c2nnn[n-]2)n1 ZINC001603028655 1018104772 /nfs/dbraw/zinc/10/47/72/1018104772.db2.gz QKVOBYVLKDOPQC-RXMQYKEDSA-N -1 0 302.258 -0.847 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001603022352 1018105327 /nfs/dbraw/zinc/10/53/27/1018105327.db2.gz MZPREZFGHMFBJX-JLIMGVALSA-N -1 0 318.341 -0.297 20 0 DBADRM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1cnccn1 ZINC001603021804 1018105598 /nfs/dbraw/zinc/10/55/98/1018105598.db2.gz AHDYYNDZHWPMRB-YUMQZZPRSA-N -1 0 314.313 -0.313 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001603023814 1018106498 /nfs/dbraw/zinc/10/64/98/1018106498.db2.gz ZFYUIQBDPRCDBE-JQWIXIFHSA-N -1 0 314.338 -0.234 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001603042724 1018108222 /nfs/dbraw/zinc/10/82/22/1018108222.db2.gz PHEFEVONSLBLFA-NSHDSACASA-N -1 0 314.319 -0.331 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001603042430 1018109901 /nfs/dbraw/zinc/10/99/01/1018109901.db2.gz KGDLEAZVOPMGQM-JTQLQIEISA-N -1 0 323.353 -0.088 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)O[C@H](Cc1ccccc1)C(=O)[O-] ZINC001603041949 1018110108 /nfs/dbraw/zinc/11/01/08/1018110108.db2.gz BVBLXCUWBYCAEF-GFCCVEGCSA-N -1 0 322.317 -0.522 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001603035968 1018111238 /nfs/dbraw/zinc/11/12/38/1018111238.db2.gz YOPXFUVJPNDOBY-JGVFFNPUSA-N -1 0 309.326 -0.384 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001603041911 1018111358 /nfs/dbraw/zinc/11/13/58/1018111358.db2.gz BBDKDBPOHNDXML-SECBINFHSA-N -1 0 302.327 -0.519 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001603035609 1018111479 /nfs/dbraw/zinc/11/14/79/1018111479.db2.gz GUWHDOZANAEXHC-MRVPVSSYSA-N -1 0 323.353 -0.572 20 0 DBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[C@H]3C(=O)[O-])c2C1 ZINC001603046047 1018112847 /nfs/dbraw/zinc/11/28/47/1018112847.db2.gz HPOVJKCYNGZZDU-PWSUYJOCSA-N -1 0 320.349 -0.119 20 0 DBADRM CC(C)NC(=O)CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603068441 1018114143 /nfs/dbraw/zinc/11/41/43/1018114143.db2.gz NBDMCBDYHLSFMW-JTQLQIEISA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)C1=O ZINC001603068753 1018114489 /nfs/dbraw/zinc/11/44/89/1018114489.db2.gz QSSDBERSOPSBDY-LLVKDONJSA-N -1 0 321.333 -0.328 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)CC(=O)NCc1ccco1)C(=O)[O-] ZINC001603055193 1018114683 /nfs/dbraw/zinc/11/46/83/1018114683.db2.gz KDNGSINOXKLNPD-CHNSCGDPSA-N -1 0 316.335 -0.766 20 0 DBADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1F ZINC001603074986 1018117096 /nfs/dbraw/zinc/11/70/96/1018117096.db2.gz YLBIGWVRBABKKP-JTQLQIEISA-N -1 0 320.298 -0.492 20 0 DBADRM CC(=O)c1cn(CC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])nn1 ZINC001603123642 1018121690 /nfs/dbraw/zinc/12/16/90/1018121690.db2.gz GZQQUEUKRDTCEB-QMMMGPOBSA-N -1 0 302.237 -0.199 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC001603134647 1018123703 /nfs/dbraw/zinc/12/37/03/1018123703.db2.gz ZRPDMURQKPNAMZ-IUCAKERBSA-N -1 0 324.424 -0.315 20 0 DBADRM CC(=O)c1cn(Cc2cncc(C(=O)[O-])c2)c(=O)n(C)c1=O ZINC001603124189 1018123003 /nfs/dbraw/zinc/12/30/03/1018123003.db2.gz RXYPVUYJRSJHPU-UHFFFAOYSA-N -1 0 303.274 -0.109 20 0 DBADRM CC(=O)c1cn(Cc2cccc(C(=O)[O-])n2)c(=O)n(C)c1=O ZINC001603124356 1018123196 /nfs/dbraw/zinc/12/31/96/1018123196.db2.gz YHPKNUGSSPVUFN-UHFFFAOYSA-N -1 0 303.274 -0.109 20 0 DBADRM C[C@@H](C(=O)N1CC(O)(C(=O)[O-])C1)n1nnc(-c2ccccc2)n1 ZINC001603140485 1018125153 /nfs/dbraw/zinc/12/51/53/1018125153.db2.gz QHEKNTIQHNVBFK-VIFPVBQESA-N -1 0 317.305 -0.441 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])c1cncnc1 ZINC001603145089 1018125544 /nfs/dbraw/zinc/12/55/44/1018125544.db2.gz BGRFXWUOYUHSKP-KOLCDFICSA-N -1 0 306.322 -0.228 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-])c1cncnc1 ZINC001603145087 1018125874 /nfs/dbraw/zinc/12/58/74/1018125874.db2.gz BGRFXWUOYUHSKP-GXSJLCMTSA-N -1 0 306.322 -0.228 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N[C@@H](C)c1nnnn1C1CC1)C(=O)[O-] ZINC001603145290 1018126204 /nfs/dbraw/zinc/12/62/04/1018126204.db2.gz ORCVHQKIWFCFMP-YUMQZZPRSA-N -1 0 324.341 -0.636 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@@](C)(CO)C1)C(=O)[O-] ZINC001603145445 1018127508 /nfs/dbraw/zinc/12/75/08/1018127508.db2.gz RABPTXYDPSZQRY-QMTHXVAHSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)Nc1cccc(C(N)=O)c1)C(=O)[O-] ZINC001603145638 1018128399 /nfs/dbraw/zinc/12/83/99/1018128399.db2.gz UDXCIGMYDSBTTB-QMMMGPOBSA-N -1 0 307.306 -0.097 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])C(F)(F)F ZINC001603148347 1018133033 /nfs/dbraw/zinc/13/30/33/1018133033.db2.gz NTAFGVDXKPDVDU-WDSKDSINSA-N -1 0 303.258 -0.105 20 0 DBADRM C[C@H](C(=O)N[C@H](CF)C(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC001603154429 1018131845 /nfs/dbraw/zinc/13/18/45/1018131845.db2.gz DTOCQCWQHLMQEG-HTQZYQBOSA-N -1 0 315.301 -0.222 20 0 DBADRM C[C@H](C(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-])N1CCN(C)CC1 ZINC001603154547 1018132041 /nfs/dbraw/zinc/13/20/41/1018132041.db2.gz GVTSKQJLICHMJS-AGIUHOORSA-N -1 0 313.398 -0.239 20 0 DBADRM C[C@H](C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-])[C@H]1CCC(=O)N1 ZINC001603155113 1018132288 /nfs/dbraw/zinc/13/22/88/1018132288.db2.gz OKBWMXIBROLICS-AEJSXWLSSA-N -1 0 314.338 -0.376 20 0 DBADRM C[C@@H](C(=O)NC1(C(=O)[O-])CC(CO)C1)N1CCSCC1 ZINC001603154449 1018132995 /nfs/dbraw/zinc/13/29/95/1018132995.db2.gz FDAXXSDFXPKOIR-JBLZRFIASA-N -1 0 302.396 -0.234 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC2(CCC2)S(=O)(=O)CC1 ZINC001603159794 1018134782 /nfs/dbraw/zinc/13/47/82/1018134782.db2.gz FTUCSETWHMMTEZ-JTQLQIEISA-N -1 0 318.395 -0.381 20 0 DBADRM C[C@@H](CN(C)c1nnnn1[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001603158905 1018134893 /nfs/dbraw/zinc/13/48/93/1018134893.db2.gz KGXUNZUQQVTNJY-WPRPVWTQSA-N -1 0 308.342 -0.234 20 0 DBADRM C[C@H](C(=O)NC[C@]1(C(=O)[O-])CCOC1)[C@H](C)S(C)(=O)=O ZINC001603164275 1018135585 /nfs/dbraw/zinc/13/55/85/1018135585.db2.gz LMPYTMKBNSRUTQ-HOTUBEGUSA-N -1 0 307.368 -0.337 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(c2cccc(F)n2)CC1 ZINC001603159609 1018135842 /nfs/dbraw/zinc/13/58/42/1018135842.db2.gz CCEUATVKKNWYQF-SNVBAGLBSA-N -1 0 310.329 -0.068 20 0 DBADRM C[C@@H](C(=O)NCCNc1ccnc(C(=O)[O-])n1)c1cnn(C)c1 ZINC001603165732 1018135934 /nfs/dbraw/zinc/13/59/34/1018135934.db2.gz CUHIPJUMWKLQJF-SECBINFHSA-N -1 0 318.337 -0.338 20 0 DBADRM C[C@@H](CN(C)c1nnnn1[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001603158904 1018136065 /nfs/dbraw/zinc/13/60/65/1018136065.db2.gz KGXUNZUQQVTNJY-WCBMZHEXSA-N -1 0 308.342 -0.234 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(c2cnccn2)[C@H](C)C1 ZINC001603159698 1018136145 /nfs/dbraw/zinc/13/61/45/1018136145.db2.gz COETYDPNABCNKJ-GHMZBOCLSA-N -1 0 307.354 -0.424 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001603158825 1018136586 /nfs/dbraw/zinc/13/65/86/1018136586.db2.gz GELBFRMKWLSYTH-QWRGUYRKSA-N -1 0 315.370 -0.998 20 0 DBADRM C[C@H](C(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1)C1CCC1 ZINC001603164326 1018136759 /nfs/dbraw/zinc/13/67/59/1018136759.db2.gz NCDJJROXVTXDBG-GXSJLCMTSA-N -1 0 322.365 -0.078 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21)C(=O)[O-] ZINC001603158900 1018137870 /nfs/dbraw/zinc/13/78/70/1018137870.db2.gz KASCSGFSOXFWPJ-OPRDCNLKSA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC001603173494 1018141009 /nfs/dbraw/zinc/14/10/09/1018141009.db2.gz NLZDZXLCUCLLOM-XCBNKYQSSA-N -1 0 319.310 -0.450 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001603199532 1018145106 /nfs/dbraw/zinc/14/51/06/1018145106.db2.gz LSKSVQRLQSKMTQ-ULQSSITMSA-N -1 0 318.395 -0.417 20 0 DBADRM CC(C)=CC(=O)NCCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001603184675 1018145327 /nfs/dbraw/zinc/14/53/27/1018145327.db2.gz JMEHNUSYQXQFRO-UHFFFAOYSA-N -1 0 302.342 -0.037 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C1(S(C)(=O)=O)CC1 ZINC001603218845 1018146384 /nfs/dbraw/zinc/14/63/84/1018146384.db2.gz JHHSGTUBJCCFLL-HTRCEHHLSA-N -1 0 304.324 -0.702 20 0 DBADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)c1ncon1 ZINC001603217053 1018146511 /nfs/dbraw/zinc/14/65/11/1018146511.db2.gz XSRYBQCFIKZIKH-SSDOTTSWSA-N -1 0 317.323 -0.474 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(=O)NCC(F)(F)F ZINC001603219453 1018147082 /nfs/dbraw/zinc/14/70/82/1018147082.db2.gz WLJUKUHHBVAZTM-INEUFUBQSA-N -1 0 311.216 -0.601 20 0 DBADRM C[C@@H](NC(=O)CN[C@H](Cc1ccccc1)C(=O)[O-])C(=O)N(C)C ZINC001603220405 1018147175 /nfs/dbraw/zinc/14/71/75/1018147175.db2.gz NNHPIONHWBOKQV-DGCLKSJQSA-N -1 0 321.377 -0.135 20 0 DBADRM C[C@H](NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1)c1ncn(C)n1 ZINC001603210774 1018147461 /nfs/dbraw/zinc/14/74/61/1018147461.db2.gz NZHYWULZCWKHSL-IDKOKCKLSA-N -1 0 323.353 -0.248 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ncn(C)n1 ZINC001603211042 1018148260 /nfs/dbraw/zinc/14/82/60/1018148260.db2.gz SLRGOCKJTVUEFH-SDBXPKJASA-N -1 0 309.326 -0.685 20 0 DBADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)c1 ZINC001603213287 1018148806 /nfs/dbraw/zinc/14/88/06/1018148806.db2.gz HFOWCIZPQGVNFN-UWJYBYFXSA-N -1 0 322.317 -0.623 20 0 DBADRM CC(F)(F)CN1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001603208690 1018148826 /nfs/dbraw/zinc/14/88/26/1018148826.db2.gz ZIATTZIBQATVJC-SNVBAGLBSA-N -1 0 305.325 -0.055 20 0 DBADRM CC(C)[C@@H]1CN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001603245172 1018151619 /nfs/dbraw/zinc/15/16/19/1018151619.db2.gz FZKGJCOLURIALQ-UWVGGRQHSA-N -1 0 320.357 -0.097 20 0 DBADRM CC(C)(C(=O)N[C@H](CC1OCCO1)C(=O)[O-])N1CCOCC1 ZINC001603234835 1018152355 /nfs/dbraw/zinc/15/23/55/1018152355.db2.gz CXIQBXXNPDIAFY-SNVBAGLBSA-N -1 0 316.354 -0.570 20 0 DBADRM CC(C)(C(=O)N1CC[C@@](O)(C(=O)[O-])C1)S(=O)(=O)C1CC1 ZINC001603231889 1018152433 /nfs/dbraw/zinc/15/24/33/1018152433.db2.gz JPLCUDJOEYXWJY-LBPRGKRZSA-N -1 0 305.352 -0.610 20 0 DBADRM CC(C)[C@@H]1CCCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001603245022 1018152772 /nfs/dbraw/zinc/15/27/72/1018152772.db2.gz CRTTYVMBDJWKJB-VIFPVBQESA-N -1 0 319.369 -0.111 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1CC1 ZINC001603265976 1018154817 /nfs/dbraw/zinc/15/48/17/1018154817.db2.gz PUDURGTYDLKIMU-TVYUQYBPSA-N -1 0 324.377 -0.073 20 0 DBADRM C[C@@](O)(Cc1ccccc1)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001603262995 1018155155 /nfs/dbraw/zinc/15/51/55/1018155155.db2.gz GIMXQEQOVLJJSS-MRXNPFEDSA-N -1 0 320.345 -0.265 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)C1CC1 ZINC001603264677 1018155404 /nfs/dbraw/zinc/15/54/04/1018155404.db2.gz ALTBLWUWNAMSTJ-VWYCJHECSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1cccnc1-n1cncn1)C(=O)[O-] ZINC001603257293 1018155645 /nfs/dbraw/zinc/15/56/45/1018155645.db2.gz WQONPJGAYAJOBV-GFCCVEGCSA-N -1 0 306.282 -0.381 20 0 DBADRM C[C@](O)(CNC(=O)Nc1ccnn1C[C@H]1CCOC1)C(=O)[O-] ZINC001603256758 1018156652 /nfs/dbraw/zinc/15/66/52/1018156652.db2.gz GGPRTMQBXQUTDE-RNCFNFMXSA-N -1 0 312.326 -0.123 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@@H]2CC[C@H](C(N)=O)O2)n1 ZINC001603289966 1018158522 /nfs/dbraw/zinc/15/85/22/1018158522.db2.gz IBAUCSKEYGJSQH-SFYZADRCSA-N -1 0 310.310 -0.326 20 0 DBADRM C[C@@H](O)C[C@H](C)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603266387 1018158637 /nfs/dbraw/zinc/15/86/37/1018158637.db2.gz UDPSIHGIIRZNFB-VHSXEESVSA-N -1 0 321.395 -0.211 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CC1 ZINC001603269085 1018158709 /nfs/dbraw/zinc/15/87/09/1018158709.db2.gz SGBZPAFPEYOYAI-YNEHKIRRSA-N -1 0 314.382 -0.219 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N2CC[C@@H](O)[C@@H](O)C2)n1 ZINC001603289102 1018158904 /nfs/dbraw/zinc/15/89/04/1018158904.db2.gz HJAMWJLXKZDRFO-BDAKNGLRSA-N -1 0 312.326 -0.338 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001603295681 1018159572 /nfs/dbraw/zinc/15/95/72/1018159572.db2.gz JGSSEPXLILNTFH-UHFFFAOYSA-N -1 0 309.322 -0.001 20 0 DBADRM C[C@H](O)CCCN1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001499702824 1018160080 /nfs/dbraw/zinc/16/00/80/1018160080.db2.gz KPWYZRYQKPELEX-QMMMGPOBSA-N -1 0 311.342 -0.800 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)CCO1 ZINC001603266703 1018160322 /nfs/dbraw/zinc/16/03/22/1018160322.db2.gz XXNSLEVUTYLALC-MWLCHTKSSA-N -1 0 310.306 -0.845 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N2CCOC[C@H]2CO)n1 ZINC001603289189 1018160623 /nfs/dbraw/zinc/16/06/23/1018160623.db2.gz MUPPVFNFCIZGSM-SECBINFHSA-N -1 0 312.326 -0.072 20 0 DBADRM C[C@H](O)[C@H]1CCCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001603266469 1018160731 /nfs/dbraw/zinc/16/07/31/1018160731.db2.gz WXMPLRDMNPIBHB-RYUDHWBXSA-N -1 0 318.370 -0.093 20 0 DBADRM CC(C)CO[C@@H](C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603299534 1018161969 /nfs/dbraw/zinc/16/19/69/1018161969.db2.gz LVEUPQKWVACAPT-VIFPVBQESA-N -1 0 308.346 -0.365 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC([C@H]3CCOC3)C2)C1 ZINC001603297146 1018163648 /nfs/dbraw/zinc/16/36/48/1018163648.db2.gz IPIRUIHUYLQBNA-ZUZCIYMTSA-N -1 0 310.350 -0.196 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC001603295739 1018164090 /nfs/dbraw/zinc/16/40/90/1018164090.db2.gz MFZHTOBPTXWRAL-ZJUUUORDSA-N -1 0 313.354 -0.973 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cnn(CC(=O)NCCO)c1 ZINC001603324058 1018165740 /nfs/dbraw/zinc/16/57/40/1018165740.db2.gz SRAOESIJSDZMMZ-CQSZACIVSA-N -1 0 324.337 -0.569 20 0 DBADRM CC(C)(C)C[C@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)C(=O)[O-] ZINC001603328514 1018166047 /nfs/dbraw/zinc/16/60/47/1018166047.db2.gz YGPPEUUPOOSMFX-MNOVXSKESA-N -1 0 313.354 -0.145 20 0 DBADRM CC(C)(C)/C=C\C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001603321415 1018166344 /nfs/dbraw/zinc/16/63/44/1018166344.db2.gz SRFBZPAHJJCPSV-KWKBKKAHSA-N -1 0 324.377 -0.001 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001603320933 1018168056 /nfs/dbraw/zinc/16/80/56/1018168056.db2.gz NHSLDHRKHZAIOA-SECBINFHSA-N -1 0 311.342 -0.600 20 0 DBADRM CC1(CO)CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001603341182 1018169324 /nfs/dbraw/zinc/16/93/24/1018169324.db2.gz GSDQJWYYXLZDDR-UHFFFAOYSA-N -1 0 312.366 -0.069 20 0 DBADRM CC1(C)[C@@H](NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CS1(=O)=O ZINC001603336553 1018171178 /nfs/dbraw/zinc/17/11/78/1018171178.db2.gz LUAIIDYEVWMBIA-BBBLOLIVSA-N -1 0 319.379 -0.052 20 0 DBADRM CC1(C)SC[C@@H]1NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603336363 1018172211 /nfs/dbraw/zinc/17/22/11/1018172211.db2.gz GXSOGOFRWVDTCB-ZETCQYMHSA-N -1 0 312.351 -0.084 20 0 DBADRM C[C@@]1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCC(=O)N1 ZINC001603340087 1018172323 /nfs/dbraw/zinc/17/23/23/1018172323.db2.gz SQGQCRGTICCKNU-ZDUSSCGKSA-N -1 0 313.354 -0.164 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001603355439 1018173893 /nfs/dbraw/zinc/17/38/93/1018173893.db2.gz RTNRLCVNSJHZLK-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CCCCO)C1 ZINC001603354079 1018174038 /nfs/dbraw/zinc/17/40/38/1018174038.db2.gz FSZHSRPYRQYCHZ-QWRGUYRKSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)C1 ZINC001603355098 1018174755 /nfs/dbraw/zinc/17/47/55/1018174755.db2.gz NKKNDAPJJZATJA-VHSXEESVSA-N -1 0 321.333 -0.107 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC3(COC3)C2)C1 ZINC001603354862 1018175174 /nfs/dbraw/zinc/17/51/74/1018175174.db2.gz MHMVFQMJPGDMIC-WDEREUQCSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)C[C@H]2C[C@@H](O)C2)C1 ZINC001603355636 1018175218 /nfs/dbraw/zinc/17/52/18/1018175218.db2.gz UZEMYNLFGUHRDK-WYUUTHIRSA-N -1 0 312.366 -0.215 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)Nc1ccnc(C(=O)[O-])n1 ZINC001603373723 1018176032 /nfs/dbraw/zinc/17/60/32/1018176032.db2.gz JUANBIDHXRIKJN-UHFFFAOYSA-N -1 0 311.294 -0.107 20 0 DBADRM CC(C)(C)OC(=O)CN1CC[C@H](N[C@](C)(CO)C(=O)[O-])C1=O ZINC001603373666 1018177363 /nfs/dbraw/zinc/17/73/63/1018177363.db2.gz HGHFGSPFOVZWNJ-LKFCYVNXSA-N -1 0 316.354 -0.646 20 0 DBADRM CC(C)[C@@H](CO)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001603379998 1018177920 /nfs/dbraw/zinc/17/79/20/1018177920.db2.gz AHYJWGHFVTYFDW-MRVPVSSYSA-N -1 0 312.355 -0.443 20 0 DBADRM C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001603376086 1018178824 /nfs/dbraw/zinc/17/88/24/1018178824.db2.gz ZHLYNTSQJJZIMA-GHMZBOCLSA-N -1 0 312.366 -0.214 20 0 DBADRM CC(C)(C)OC(=O)CCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001603371414 1018178912 /nfs/dbraw/zinc/17/89/12/1018178912.db2.gz SQRNKVPYDJTMLR-SECBINFHSA-N -1 0 307.368 -0.098 20 0 DBADRM C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC001603375736 1018179109 /nfs/dbraw/zinc/17/91/09/1018179109.db2.gz VPMIXMSAZVJWHV-ZETOZRRWSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2cc(C(=O)[O-])nn2C)CCS1(=O)=O ZINC001603379716 1018179217 /nfs/dbraw/zinc/17/92/17/1018179217.db2.gz BESLGOIRSCDFHO-HTQZYQBOSA-N -1 0 315.351 -0.186 20 0 DBADRM C[C@@H]1C[C@H](n2nnnc2N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@H](C)O1 ZINC001603381265 1018179253 /nfs/dbraw/zinc/17/92/53/1018179253.db2.gz WDQICQWIKVSYAX-AHMQBVQWSA-N -1 0 323.353 -0.051 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C[C@@H]1F ZINC001603416405 1018181128 /nfs/dbraw/zinc/18/11/28/1018181128.db2.gz OMNSHFQSKYHULP-UTLUCORTSA-N -1 0 302.302 -0.495 20 0 DBADRM C[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C[C@@H]1C(=O)[O-] ZINC001603417576 1018181515 /nfs/dbraw/zinc/18/15/15/1018181515.db2.gz UIDZIXMUPWAJKI-ZJUUUORDSA-N -1 0 304.368 -0.409 20 0 DBADRM C[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C[C@@H]1C(=O)[O-] ZINC001603417574 1018181982 /nfs/dbraw/zinc/18/19/82/1018181982.db2.gz UIDZIXMUPWAJKI-UWVGGRQHSA-N -1 0 304.368 -0.409 20 0 DBADRM C[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C(=O)[O-] ZINC001603417573 1018182454 /nfs/dbraw/zinc/18/24/54/1018182454.db2.gz UIDZIXMUPWAJKI-NXEZZACHSA-N -1 0 304.368 -0.409 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CC(C)(C(=O)[O-])C2)C1 ZINC001603385941 1018182506 /nfs/dbraw/zinc/18/25/06/1018182506.db2.gz XXTDOCZDNHDDHR-UHFFFAOYSA-N -1 0 314.338 -0.099 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)C[C@H]1C(=O)[O-] ZINC001603415710 1018182575 /nfs/dbraw/zinc/18/25/75/1018182575.db2.gz IKTURQXIWMMKNN-MWLCHTKSSA-N -1 0 321.333 -0.107 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CCC(=O)[O-])C[C@@]2(CCOC2)O1 ZINC001603440475 1018183782 /nfs/dbraw/zinc/18/37/82/1018183782.db2.gz WYODFNPCDQNAAH-QMTHXVAHSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@@H]1CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCC1=O ZINC001603439336 1018185871 /nfs/dbraw/zinc/18/58/71/1018185871.db2.gz KKCGETHVBGDVFK-SECBINFHSA-N -1 0 317.363 -0.297 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC001603433419 1018185909 /nfs/dbraw/zinc/18/59/09/1018185909.db2.gz KIVKUEAWZDABNR-IMSYWVGJSA-N -1 0 314.338 -0.197 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCC(=O)[O-])C[C@]2(CCCOC2)O1 ZINC001603440636 1018186197 /nfs/dbraw/zinc/18/61/97/1018186197.db2.gz YYDDHMZYCPXNRS-HZMBPMFUSA-N -1 0 314.338 -0.626 20 0 DBADRM C[C@H]1CN(CCNC(=O)c2cc(C(=O)[O-])nn2C)[C@@H](C)CO1 ZINC001603461991 1018189035 /nfs/dbraw/zinc/18/90/35/1018189035.db2.gz WFVWWGUCWZMMAB-UWVGGRQHSA-N -1 0 310.354 -0.043 20 0 DBADRM C[C@H]1CN(CN2C[C@H](C(=O)[O-])CC2=O)CCS(=O)(=O)C1 ZINC001603460234 1018190095 /nfs/dbraw/zinc/19/00/95/1018190095.db2.gz AUUAENHQICQPDE-VHSXEESVSA-N -1 0 304.368 -0.757 20 0 DBADRM C[C@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@@H]1C(=O)[O-] ZINC001603453825 1018190411 /nfs/dbraw/zinc/19/04/11/1018190411.db2.gz LPHDHEHEVORDBJ-UWVGGRQHSA-N -1 0 323.353 -0.451 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC[C@H](O)CC(=O)[O-] ZINC001603452634 1018190585 /nfs/dbraw/zinc/19/05/85/1018190585.db2.gz QJMYYCMIDWTTAP-DTWKUNHWSA-N -1 0 320.342 -0.786 20 0 DBADRM C[C@@H](C[C@H]1CCOC1)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001603467273 1018191771 /nfs/dbraw/zinc/19/17/71/1018191771.db2.gz UOKNLHRLTZBMNL-JGVFFNPUSA-N -1 0 321.341 -0.107 20 0 DBADRM C[C@H](CCCO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603475994 1018191842 /nfs/dbraw/zinc/19/18/42/1018191842.db2.gz BOAFXYSRFZWSHU-SSDOTTSWSA-N -1 0 301.328 -0.101 20 0 DBADRM C[C@H]1OCC[C@H]1c1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1 ZINC001603479664 1018192252 /nfs/dbraw/zinc/19/22/52/1018192252.db2.gz HSKPNASFEIAKJD-RNFRBKRXSA-N -1 0 322.277 -0.024 20 0 DBADRM C[C@H]1CN(Cn2nnc3c(cnn3C)c2=O)CC[C@@H]1C(=O)[O-] ZINC001603463960 1018192777 /nfs/dbraw/zinc/19/27/77/1018192777.db2.gz MWFZUDXWYDIAQV-IUCAKERBSA-N -1 0 306.326 -0.475 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC001603485372 1018192895 /nfs/dbraw/zinc/19/28/95/1018192895.db2.gz KUIKQWSUKOYYBY-ZYTOWTHASA-N -1 0 314.338 -0.052 20 0 DBADRM C[C@H](C[C@@H]1CCOC1)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001603467597 1018192988 /nfs/dbraw/zinc/19/29/88/1018192988.db2.gz XYELYDXGNULMCS-BDAKNGLRSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@H]1CN(Cn2nnc3c(cnn3C)c2=O)CC[C@H]1C(=O)[O-] ZINC001603463959 1018193606 /nfs/dbraw/zinc/19/36/06/1018193606.db2.gz MWFZUDXWYDIAQV-DTWKUNHWSA-N -1 0 306.326 -0.475 20 0 DBADRM C[C@@H]1[C@H](C(=O)NCC(=O)[O-])[C@H]1C(=O)NCC(=O)OC(C)(C)C ZINC001603481902 1018193796 /nfs/dbraw/zinc/19/37/96/1018193796.db2.gz GVGKWKCMAQWHDA-GGVZMXCHSA-N -1 0 314.338 -0.473 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001603479615 1018193858 /nfs/dbraw/zinc/19/38/58/1018193858.db2.gz GMOCRTSVDPUSBD-VFZGTOFNSA-N -1 0 322.317 -0.021 20 0 DBADRM C[C@@H]1c2cccn2CCN1C(=O)C(=O)NCCOCC(=O)[O-] ZINC001603482866 1018193961 /nfs/dbraw/zinc/19/39/61/1018193961.db2.gz SDGKVKMIEMLIOG-SNVBAGLBSA-N -1 0 309.322 -0.391 20 0 DBADRM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)C(=O)NC1CC1 ZINC001603497949 1018195040 /nfs/dbraw/zinc/19/50/40/1018195040.db2.gz ULGNQNBULIQIAO-VIFPVBQESA-N -1 0 314.338 -0.044 20 0 DBADRM CC[C@@H](CNC(=O)N1CCC(OCC(N)=O)CC1)C(=O)[O-] ZINC001603556692 1018205034 /nfs/dbraw/zinc/20/50/34/1018205034.db2.gz KTKICJSXRSBYKV-VIFPVBQESA-N -1 0 301.343 -0.227 20 0 DBADRM CC[C@H](C)[C@H](O)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603511424 1018197766 /nfs/dbraw/zinc/19/77/66/1018197766.db2.gz ZAZXLAMJOQHVAS-VHSXEESVSA-N -1 0 321.395 -0.211 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)Cc1nccn1S(=O)(=O)N(C)C ZINC001603500749 1018198371 /nfs/dbraw/zinc/19/83/71/1018198371.db2.gz MMRFZQIPJFOXQY-VIFPVBQESA-N -1 0 304.372 -0.167 20 0 DBADRM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@]1(O)CCOC1 ZINC001603497952 1018198656 /nfs/dbraw/zinc/19/86/56/1018198656.db2.gz UPHCQQZZIKSLNA-LKFCYVNXSA-N -1 0 317.338 -0.171 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(=O)OC ZINC001603550437 1018200344 /nfs/dbraw/zinc/20/03/44/1018200344.db2.gz KYICPHLLSINSPI-NXEZZACHSA-N -1 0 314.338 -0.375 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1C[C@@H](C)C[C@H](CO)C1)C(=O)[O-] ZINC001603548940 1018200838 /nfs/dbraw/zinc/20/08/38/1018200838.db2.gz MTPSUYCXSDFLIJ-GARJFASQSA-N -1 0 300.355 -0.310 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](CO)C1)C(=O)[O-] ZINC001603549625 1018201439 /nfs/dbraw/zinc/20/14/39/1018201439.db2.gz UCACFWSVSXQBPF-MXWKQRLJSA-N -1 0 300.355 -0.310 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[C@H](C)O)C(=O)[O-] ZINC001603548435 1018201831 /nfs/dbraw/zinc/20/18/31/1018201831.db2.gz FOJQJTTVXIHKQD-AXFHLTTASA-N -1 0 300.355 -0.025 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)C(=O)[O-] ZINC001603550176 1018202731 /nfs/dbraw/zinc/20/27/31/1018202731.db2.gz ZYOICPMRUAERQG-ZNSALQAWSA-N -1 0 310.350 -0.247 20 0 DBADRM CC[C@H](CCO)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603550053 1018203064 /nfs/dbraw/zinc/20/30/64/1018203064.db2.gz YHVKUVLXKQZICC-SECBINFHSA-N -1 0 307.368 -0.457 20 0 DBADRM CC[C@@H](CCO)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603549351 1018203307 /nfs/dbraw/zinc/20/33/07/1018203307.db2.gz QQPSBLBSGNBKNA-JTQLQIEISA-N -1 0 321.395 -0.209 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[C@@H](C)O)C(=O)[O-] ZINC001603548439 1018203427 /nfs/dbraw/zinc/20/34/27/1018203427.db2.gz FOJQJTTVXIHKQD-MXWKQRLJSA-N -1 0 300.355 -0.025 20 0 DBADRM CC[C@H](CO)N1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001603574497 1018204647 /nfs/dbraw/zinc/20/46/47/1018204647.db2.gz CUULMSCKEXSCNZ-GFCCVEGCSA-N -1 0 314.382 -0.217 20 0 DBADRM CCC[C@@H](O)[C@@H](CO)NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001603633839 1018214483 /nfs/dbraw/zinc/21/44/83/1018214483.db2.gz QGFOHDGENKPUOH-GHMZBOCLSA-N -1 0 303.355 -0.104 20 0 DBADRM CC[C@H](CNS(=O)(=O)CCCCS(N)(=O)=O)C(=O)[O-] ZINC001603573091 1018205415 /nfs/dbraw/zinc/20/54/15/1018205415.db2.gz GACVQVHBCGJVDK-MRVPVSSYSA-N -1 0 316.401 -0.915 20 0 DBADRM CC[C@@H](CNC(=O)NC[C@H]1CCO[C@H]1C(=O)OC)C(=O)[O-] ZINC001603562175 1018205437 /nfs/dbraw/zinc/20/54/37/1018205437.db2.gz STQXLMQKFBWZCY-IVZWLZJFSA-N -1 0 302.327 -0.026 20 0 DBADRM CC(C)(CNC(=O)NCCCCC(=O)[O-])CS(N)(=O)=O ZINC001603632072 1018214544 /nfs/dbraw/zinc/21/45/44/1018214544.db2.gz KWCVARIGFYSIIU-UHFFFAOYSA-N -1 0 309.388 -0.145 20 0 DBADRM CC(CO)(CO)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001603565171 1018206176 /nfs/dbraw/zinc/20/61/76/1018206176.db2.gz LOXRVONDAVUYQL-UHFFFAOYSA-N -1 0 307.310 -0.707 20 0 DBADRM CC(C)(C)n1nnc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])n1 ZINC001603574271 1018206211 /nfs/dbraw/zinc/20/62/11/1018206211.db2.gz OIRXANOKMHUPJR-MRVPVSSYSA-N -1 0 307.314 -0.492 20 0 DBADRM CC[C@H](CNC(=O)NCCS(=O)(=O)N1CCCC1)C(=O)[O-] ZINC001603560749 1018206825 /nfs/dbraw/zinc/20/68/25/1018206825.db2.gz HKGYBNUZLPMNCW-SNVBAGLBSA-N -1 0 321.399 -0.178 20 0 DBADRM CC[C@H](CNC(=O)NCCS(=O)(=O)NC(C)C)C(=O)[O-] ZINC001603561332 1018208210 /nfs/dbraw/zinc/20/82/10/1018208210.db2.gz LVTRWBMISDCNQR-SECBINFHSA-N -1 0 309.388 -0.276 20 0 DBADRM CC[C@@H](CNC(=O)N1CCCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001603556116 1018208506 /nfs/dbraw/zinc/20/85/06/1018208506.db2.gz HTBPOUMAZQPYMV-JTQLQIEISA-N -1 0 321.399 -0.226 20 0 DBADRM CC[C@H](O)[C@H](C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603586496 1018210228 /nfs/dbraw/zinc/21/02/28/1018210228.db2.gz OUTOCJWTFVKXMK-DCAQKATOSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(CC(=O)[O-])NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001603591744 1018210825 /nfs/dbraw/zinc/21/08/25/1018210825.db2.gz JOIFTZKJQQUDCE-VIFPVBQESA-N -1 0 304.368 -0.078 20 0 DBADRM CCC[C@@H](O)[C@@H](CO)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603633821 1018212849 /nfs/dbraw/zinc/21/28/49/1018212849.db2.gz PDKNGMFFXMTVLO-GHMZBOCLSA-N -1 0 312.322 -0.815 20 0 DBADRM CC(C)(CNC(=O)N1CCC(S(N)(=O)=O)CC1)CC(=O)[O-] ZINC001603626870 1018213053 /nfs/dbraw/zinc/21/30/53/1018213053.db2.gz WBOANLZZDJERMP-UHFFFAOYSA-N -1 0 321.399 -0.050 20 0 DBADRM CC(C)(CNC(=O)C(=O)N1CCC[C@]1(C)CO)CC(=O)[O-] ZINC001603618453 1018213100 /nfs/dbraw/zinc/21/31/00/1018213100.db2.gz FWKFZSCIJKWIAP-CQSZACIVSA-N -1 0 300.355 -0.023 20 0 DBADRM CCC[C@@H](O)[C@H](CO)NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001603633842 1018213123 /nfs/dbraw/zinc/21/31/23/1018213123.db2.gz QGFOHDGENKPUOH-WDEREUQCSA-N -1 0 303.355 -0.104 20 0 DBADRM CCC[C@H](O)[C@@H](CO)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603633822 1018213522 /nfs/dbraw/zinc/21/35/22/1018213522.db2.gz PDKNGMFFXMTVLO-MNOVXSKESA-N -1 0 312.322 -0.815 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)OCC(=O)C(=O)[O-])C1=O ZINC001603611937 1018213750 /nfs/dbraw/zinc/21/37/50/1018213750.db2.gz PVHXZDVPYXTJLL-UHFFFAOYSA-N -1 0 300.267 -0.706 20 0 DBADRM CC(C)(CNC(=O)Cn1ccc(C(=O)[O-])n1)NS(C)(=O)=O ZINC001603627573 1018215050 /nfs/dbraw/zinc/21/50/50/1018215050.db2.gz SJWVFDWJNMEWOK-UHFFFAOYSA-N -1 0 318.355 -0.975 20 0 DBADRM CC(C)(CNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)CC(=O)[O-] ZINC001603630756 1018215208 /nfs/dbraw/zinc/21/52/08/1018215208.db2.gz RCQOXMULIMYXGA-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM CCCCC[C@@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001603642182 1018216035 /nfs/dbraw/zinc/21/60/35/1018216035.db2.gz YHTDKBGXICTLAT-VHSXEESVSA-N -1 0 307.368 -0.362 20 0 DBADRM CC(C)(CS(=O)(=O)N1CC[C@@]2(CNC(=O)C2)C1)C(=O)[O-] ZINC001603653895 1018216125 /nfs/dbraw/zinc/21/61/25/1018216125.db2.gz KVULHZWNVLQUNM-GFCCVEGCSA-N -1 0 304.368 -0.361 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCN2C(=O)N=NC2C1)C(=O)[O-] ZINC001603653286 1018216367 /nfs/dbraw/zinc/21/63/67/1018216367.db2.gz ADPNWIFTTWTJSQ-UHFFFAOYSA-N -1 0 304.328 -0.760 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001603639705 1018216433 /nfs/dbraw/zinc/21/64/33/1018216433.db2.gz AZYUTGAXYXHTJJ-RBZYPMLTSA-N -1 0 313.354 -0.227 20 0 DBADRM CC(C)(CNC(=O)c1ccnc(S(N)(=O)=O)c1)CC(=O)[O-] ZINC001603639914 1018216480 /nfs/dbraw/zinc/21/64/80/1018216480.db2.gz STIVHVNUEZZGIG-UHFFFAOYSA-N -1 0 315.351 -0.040 20 0 DBADRM CC(C)(CO)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001603647804 1018217156 /nfs/dbraw/zinc/21/71/56/1018217156.db2.gz XNFAECFHOVOFBR-CQSZACIVSA-N -1 0 300.355 -0.607 20 0 DBADRM C[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@@H](C)N1CCOCC1 ZINC001603685286 1018219092 /nfs/dbraw/zinc/21/90/92/1018219092.db2.gz DAOBDIGFTLPAQB-NXEZZACHSA-N -1 0 304.358 -0.400 20 0 DBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)C(=O)[O-] ZINC001603681577 1018219801 /nfs/dbraw/zinc/21/98/01/1018219801.db2.gz JWSHNHHCVSVZPT-SECBINFHSA-N -1 0 321.351 -0.222 20 0 DBADRM C[C@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@H](C)N1CCOCC1 ZINC001603685287 1018219963 /nfs/dbraw/zinc/21/99/63/1018219963.db2.gz DAOBDIGFTLPAQB-UWVGGRQHSA-N -1 0 304.358 -0.400 20 0 DBADRM CCCNC(=O)CCCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001603674659 1018220542 /nfs/dbraw/zinc/22/05/42/1018220542.db2.gz PQWRVGIBDQZDCK-SNVBAGLBSA-N -1 0 306.384 -0.524 20 0 DBADRM C[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@H](C)N1CCOCC1 ZINC001603685289 1018220616 /nfs/dbraw/zinc/22/06/16/1018220616.db2.gz DAOBDIGFTLPAQB-ZJUUUORDSA-N -1 0 304.358 -0.400 20 0 DBADRM CC(C)(O)C1CN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001603689489 1018221834 /nfs/dbraw/zinc/22/18/34/1018221834.db2.gz JKRAVLBCMIKZTF-OWCSCZDJSA-N -1 0 310.350 -0.415 20 0 DBADRM CC(C)(NS(=O)(=O)CCC1CCOCC1)[C@H](O)C(=O)[O-] ZINC001603686914 1018222105 /nfs/dbraw/zinc/22/21/05/1018222105.db2.gz XNPAQRRNTJTZHC-SNVBAGLBSA-N -1 0 309.384 -0.053 20 0 DBADRM CC(C)(O)[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001603689715 1018223058 /nfs/dbraw/zinc/22/30/58/1018223058.db2.gz URTCKBZETYHVFT-BBKSZCTCSA-N -1 0 324.377 -0.025 20 0 DBADRM CC1(NC(=O)Cc2c[nH]cn2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001499998555 1018223776 /nfs/dbraw/zinc/22/37/76/1018223776.db2.gz RZTXOBPFUYGNKW-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM CC(C)(O)CN1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001603691556 1018223860 /nfs/dbraw/zinc/22/38/60/1018223860.db2.gz WNMQRQPEHKXGQT-PHIMTYICSA-N -1 0 320.411 -0.432 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001603699325 1018227694 /nfs/dbraw/zinc/22/76/94/1018227694.db2.gz HHLYXLLOKJDJCB-SECBINFHSA-N -1 0 306.326 -0.402 20 0 DBADRM CCN(C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)[C@@H]1CC(=O)NC1=O ZINC001603706122 1018228969 /nfs/dbraw/zinc/22/89/69/1018228969.db2.gz TYBOZAZVIKJDOO-LPEHRKFASA-N -1 0 312.322 -0.480 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001603700744 1018229230 /nfs/dbraw/zinc/22/92/30/1018229230.db2.gz PKMLLGPJPIQEOR-LLVKDONJSA-N -1 0 323.353 -0.261 20 0 DBADRM CCOC(=O)[C@H](C[C@@H]1CCCO1)NCC(=O)NCC(=O)[O-] ZINC001603779753 1018240048 /nfs/dbraw/zinc/24/00/48/1018240048.db2.gz GWPLZGJDNBKMJM-UWVGGRQHSA-N -1 0 302.327 -0.722 20 0 DBADRM CC(C)[C@@H](C(=O)NCCn1cc(C(=O)[O-])nn1)N1CCCC1=O ZINC001603709171 1018229933 /nfs/dbraw/zinc/22/99/33/1018229933.db2.gz HQHJISFMTXQHHB-LBPRGKRZSA-N -1 0 323.353 -0.261 20 0 DBADRM CCN(C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)[C@H]1CCOC1 ZINC001603705566 1018230024 /nfs/dbraw/zinc/23/00/24/1018230024.db2.gz IRJVBOLFCHKYPS-VIFPVBQESA-N -1 0 310.310 -0.456 20 0 DBADRM CC(C)C(=O)N1CCC[C@H]1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001603700745 1018230185 /nfs/dbraw/zinc/23/01/85/1018230185.db2.gz PKMLLGPJPIQEOR-NSHDSACASA-N -1 0 323.353 -0.261 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001603740017 1018232110 /nfs/dbraw/zinc/23/21/10/1018232110.db2.gz FZXKFJOCXPEEJJ-VHSXEESVSA-N -1 0 304.368 -0.150 20 0 DBADRM CCN(CCOCCO)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001603739773 1018232567 /nfs/dbraw/zinc/23/25/67/1018232567.db2.gz XKIITUBZYRQEAF-NSHDSACASA-N -1 0 316.354 -0.833 20 0 DBADRM CCN(CCS(C)(=O)=O)C(=O)c1cnc(C(=O)[O-])cn1 ZINC001603747421 1018233626 /nfs/dbraw/zinc/23/36/26/1018233626.db2.gz NLFAHSDABJPMHS-UHFFFAOYSA-N -1 0 301.324 -0.319 20 0 DBADRM CC(C)[C@H](C)N(C)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001603720881 1018233921 /nfs/dbraw/zinc/23/39/21/1018233921.db2.gz FMMDCDARXVNYOP-HBNTYKKESA-N -1 0 300.355 -0.217 20 0 DBADRM CCN1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001603760442 1018234607 /nfs/dbraw/zinc/23/46/07/1018234607.db2.gz SSSQLWWNWWEDBZ-NWDGAFQWSA-N -1 0 311.382 -0.090 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N(CC(=O)[O-])C1CC1 ZINC001603762044 1018235567 /nfs/dbraw/zinc/23/55/67/1018235567.db2.gz VKIWNADGKQMLMP-SNVBAGLBSA-N -1 0 313.354 -0.532 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N(CC(=O)[O-])C1CC1 ZINC001603762043 1018236092 /nfs/dbraw/zinc/23/60/92/1018236092.db2.gz VKIWNADGKQMLMP-JTQLQIEISA-N -1 0 313.354 -0.532 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CC[C@@H](CO)[C@@H](O)C1)C(=O)[O-] ZINC001603776290 1018238379 /nfs/dbraw/zinc/23/83/79/1018238379.db2.gz MNAHOTKLCAJFNL-SRVKXCTJSA-N -1 0 302.371 -0.723 20 0 DBADRM CCN1CCOC[C@H]1C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001603767939 1018239926 /nfs/dbraw/zinc/23/99/26/1018239926.db2.gz IGMGKLXVCOXLIV-STQMWFEESA-N -1 0 307.350 -0.086 20 0 DBADRM CCOC(=O)[C@H](CO)NC(=O)C1(C(=O)[O-])CCSCC1 ZINC001603780717 1018240117 /nfs/dbraw/zinc/24/01/17/1018240117.db2.gz SLHLINCQGCJMEU-QMMMGPOBSA-N -1 0 305.352 -0.375 20 0 DBADRM CC(C)CN(C)C(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001603801479 1018241374 /nfs/dbraw/zinc/24/13/74/1018241374.db2.gz HYYSZOSGFUDVKU-CQSZACIVSA-N -1 0 311.338 -0.067 20 0 DBADRM CC(C)CCC(=O)NCC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001603787776 1018241580 /nfs/dbraw/zinc/24/15/80/1018241580.db2.gz SKQPIPONKATMJY-MNOVXSKESA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)C[C@H]1CN(C)CCN1C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001603784769 1018242357 /nfs/dbraw/zinc/24/23/57/1018242357.db2.gz NVVIQLYTQTVXOK-QWRGUYRKSA-N -1 0 317.361 -0.286 20 0 DBADRM CCOC(=O)C[C@@H](C)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603793417 1018242536 /nfs/dbraw/zinc/24/25/36/1018242536.db2.gz HJRXJDNUHOCXIG-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM CCOC(=O)[C@]1(C)CN([C@H]2CCN(CC(=O)[O-])C2=O)CCO1 ZINC001603786827 1018243238 /nfs/dbraw/zinc/24/32/38/1018243238.db2.gz LENNZENPOQQOBG-HZMBPMFUSA-N -1 0 314.338 -0.674 20 0 DBADRM CCOC(=O)[C@@H](NCC(=O)NCC(=O)[O-])c1cccc(O)c1 ZINC001603786594 1018243284 /nfs/dbraw/zinc/24/32/84/1018243284.db2.gz HFVLDIUVZKUREL-ZDUSSCGKSA-N -1 0 310.306 -0.213 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001603797034 1018243596 /nfs/dbraw/zinc/24/35/96/1018243596.db2.gz WAKFZBNAQOCFSF-CABZTGNLSA-N -1 0 321.351 -0.698 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)[C@](C)(OC)C(=O)[O-])CC12COC2 ZINC001603792054 1018243626 /nfs/dbraw/zinc/24/36/26/1018243626.db2.gz GSKKNJAEVKPHHD-ZANVPECISA-N -1 0 315.322 -0.486 20 0 DBADRM CCOC(=O)c1n[nH]c([C@H](C)NC(=O)[C@H](OC)C(=O)[O-])n1 ZINC001603819336 1018244544 /nfs/dbraw/zinc/24/45/44/1018244544.db2.gz VANJHFMPYKPJKA-WDSKDSINSA-N -1 0 300.271 -0.742 20 0 DBADRM CC(C)COC[C@@H](O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001603822971 1018247385 /nfs/dbraw/zinc/24/73/85/1018247385.db2.gz WUNQNHDYOATCNZ-NEPJUHHUSA-N -1 0 323.411 -0.406 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2coc(-c3nn[nH]n3)c2)C(=O)N1C ZINC001603830105 1018249596 /nfs/dbraw/zinc/24/95/96/1018249596.db2.gz GAYYZHCAMKQUFK-YFKPBYRVSA-N -1 0 305.254 -0.613 20 0 DBADRM CCO[C@@H]1C[C@H](OC(=O)[C@@H](C)C(=O)[O-])[C@@H]1N1C(=O)CCC1=O ZINC001603828666 1018250215 /nfs/dbraw/zinc/25/02/15/1018250215.db2.gz KVYHDRUWBWIIEB-KIKITERTSA-N -1 0 313.306 -0.055 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603830665 1018250368 /nfs/dbraw/zinc/25/03/68/1018250368.db2.gz LTGJENAZFCSNLJ-ZCFIWIBFSA-N -1 0 312.311 -0.732 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603829020 1018250704 /nfs/dbraw/zinc/25/07/04/1018250704.db2.gz NNMKPTGMSXHHSQ-VXGBXAGGSA-N -1 0 324.333 -0.143 20 0 DBADRM CC1=NO[C@@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001603825294 1018251332 /nfs/dbraw/zinc/25/13/32/1018251332.db2.gz AYTFYNIXCLJHDC-SSDOTTSWSA-N -1 0 312.311 -0.097 20 0 DBADRM CC(C)C[C@H](NC(=O)CNc1ccc(C(N)=O)nn1)C(=O)[O-] ZINC001603841161 1018253680 /nfs/dbraw/zinc/25/36/80/1018253680.db2.gz ALUSGFFXJVPQEM-VIFPVBQESA-N -1 0 309.326 -0.397 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)N1CCOCC1)C(=O)[O-] ZINC001603841100 1018255015 /nfs/dbraw/zinc/25/50/15/1018255015.db2.gz XVSMYDXFDBPVQP-JTQLQIEISA-N -1 0 301.343 -0.356 20 0 DBADRM CCOCCOC[C@@H](O)CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001603842073 1018255297 /nfs/dbraw/zinc/25/52/97/1018255297.db2.gz KKORUCOHVUXLGZ-WOPDTQHZSA-N -1 0 318.370 -0.047 20 0 DBADRM C/C=C(/C)C(=O)NC[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001500160089 1018255271 /nfs/dbraw/zinc/25/52/71/1018255271.db2.gz TUAWVGLZSIVPTC-HMXLAXJASA-N -1 0 311.342 -0.476 20 0 DBADRM CC[S@@](=O)CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603894662 1018256288 /nfs/dbraw/zinc/25/62/88/1018256288.db2.gz ISQDGPLQLAYONO-GWNMQOMSSA-N -1 0 304.368 -0.806 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001603869084 1018257931 /nfs/dbraw/zinc/25/79/31/1018257931.db2.gz BPRRCUCKINBBSR-SECBINFHSA-N -1 0 317.371 -0.192 20 0 DBADRM C[C@@H]1CC[C@H](C)N(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001603873837 1018258692 /nfs/dbraw/zinc/25/86/92/1018258692.db2.gz CLNROMVQMSZHLS-SFYZADRCSA-N -1 0 305.342 -0.122 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)Nc1cc(C(=O)[O-])nn1C ZINC001603898002 1018260292 /nfs/dbraw/zinc/26/02/92/1018260292.db2.gz DTEOTKKOFZJWGJ-UHFFFAOYSA-N -1 0 311.342 -0.487 20 0 DBADRM CC(C)NC(=O)CNC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001603898695 1018260341 /nfs/dbraw/zinc/26/03/41/1018260341.db2.gz OIJCTPHXLIEXMP-VIFPVBQESA-N -1 0 303.384 -0.030 20 0 DBADRM CC[C@@H](CO)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603901811 1018260595 /nfs/dbraw/zinc/26/05/95/1018260595.db2.gz XANGHBGPSNYFJS-UWVGGRQHSA-N -1 0 301.343 -0.478 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001603898747 1018260997 /nfs/dbraw/zinc/26/09/97/1018260997.db2.gz PSUJVDWWKPUARQ-MNOVXSKESA-N -1 0 315.370 -0.857 20 0 DBADRM CC(C)OCC(=O)NC[C@@H](CO)Nc1ncc(C(=O)[O-])cn1 ZINC001603916645 1018262458 /nfs/dbraw/zinc/26/24/58/1018262458.db2.gz MNNNCHKGLUWNOA-JTQLQIEISA-N -1 0 312.326 -0.511 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001603967150 1018271392 /nfs/dbraw/zinc/27/13/92/1018271392.db2.gz MSAGICUWVGQRIN-RISCZKNCSA-N -1 0 300.355 -0.609 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)c1cccnc1C(=O)[O-])C(N)=O ZINC001603967489 1018271427 /nfs/dbraw/zinc/27/14/27/1018271427.db2.gz STAOFRQOLNAKGM-MRVPVSSYSA-N -1 0 301.324 -0.432 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC(=O)N[C@H]2CCCC[C@H]21)C(=O)[O-] ZINC001603973273 1018275800 /nfs/dbraw/zinc/27/58/00/1018275800.db2.gz WPIZFHCBGRDBPE-WDMOLILDSA-N -1 0 311.382 -0.045 20 0 DBADRM CC(C)[C@H](NC(=O)CN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)C(=O)[O-] ZINC001603972928 1018276030 /nfs/dbraw/zinc/27/60/30/1018276030.db2.gz PGTDNKSZNIAPMI-UKJIMTQDSA-N -1 0 311.382 -0.202 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC(=O)N[C@H]2CCCC[C@@H]21)C(=O)[O-] ZINC001603973269 1018276781 /nfs/dbraw/zinc/27/67/81/1018276781.db2.gz WPIZFHCBGRDBPE-MJVIPROJSA-N -1 0 311.382 -0.045 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)c1cnc(N(C)C)cn1)C(=O)[O-] ZINC001603973835 1018277152 /nfs/dbraw/zinc/27/71/52/1018277152.db2.gz IIAWRTDJYOSAPV-LBPRGKRZSA-N -1 0 324.337 -0.075 20 0 DBADRM CCn1nc(C)c(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001604022273 1018278136 /nfs/dbraw/zinc/27/81/36/1018278136.db2.gz OUTYXYWRJRZXKR-JTQLQIEISA-N -1 0 323.353 -0.454 20 0 DBADRM CCc1nncn1CCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001603992686 1018278376 /nfs/dbraw/zinc/27/83/76/1018278376.db2.gz CAXBJOUFMBYFQV-CQSZACIVSA-N -1 0 323.353 -0.720 20 0 DBADRM CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])CCN1C ZINC001603983249 1018279789 /nfs/dbraw/zinc/27/97/89/1018279789.db2.gz GYDCCMQRCKJXIW-VHSXEESVSA-N -1 0 303.334 -0.676 20 0 DBADRM CCc1ncsc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001603988668 1018280078 /nfs/dbraw/zinc/28/00/78/1018280078.db2.gz DWCPIOAZYZXSBC-LLVKDONJSA-N -1 0 301.324 -0.404 20 0 DBADRM CCC(C)(C)NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001603984265 1018280989 /nfs/dbraw/zinc/28/09/89/1018280989.db2.gz GIDITZYPLIEXJA-UHFFFAOYSA-N -1 0 307.314 -0.566 20 0 DBADRM CC(C)n1ncc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c1N ZINC001604043067 1018282224 /nfs/dbraw/zinc/28/22/24/1018282224.db2.gz QSJGKPIMMMQMJV-VIFPVBQESA-N -1 0 309.326 -0.586 20 0 DBADRM CN(C)C(=O)O[C@H]1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC001604045579 1018283928 /nfs/dbraw/zinc/28/39/28/1018283928.db2.gz GVYYTFFTRHQWJX-VIFPVBQESA-N -1 0 315.326 -0.781 20 0 DBADRM CC(C)n1ncc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1N ZINC001604043044 1018284646 /nfs/dbraw/zinc/28/46/46/1018284646.db2.gz PULJREVANZOGCN-SNVBAGLBSA-N -1 0 323.353 -0.148 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001604055960 1018285996 /nfs/dbraw/zinc/28/59/96/1018285996.db2.gz RTNALIPUIPNLCH-GFVADAIESA-N -1 0 308.338 -0.083 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC001604058854 1018286285 /nfs/dbraw/zinc/28/62/85/1018286285.db2.gz HNGFFYWCBAUVGH-ZMWSMAPVSA-N -1 0 320.367 -0.311 20 0 DBADRM CC(C)n1[nH]cnc1=NC(=O)C(=O)NC1(CC(=O)[O-])CCC1 ZINC001604048012 1018287091 /nfs/dbraw/zinc/28/70/91/1018287091.db2.gz JOCQVQSZJXBQBC-UHFFFAOYSA-N -1 0 309.326 -0.267 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1coc(CS(C)(=O)=O)n1 ZINC001604058883 1018287839 /nfs/dbraw/zinc/28/78/39/1018287839.db2.gz HXQYRXFAKTUPPD-AVALRIAPSA-N -1 0 302.308 -0.022 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)NCCCCC(=O)[O-])CC1 ZINC001604075067 1018291931 /nfs/dbraw/zinc/29/19/31/1018291931.db2.gz YKQCBSSUAXKBJN-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001604104827 1018294703 /nfs/dbraw/zinc/29/47/03/1018294703.db2.gz CXRYYVJZYHBDPS-GWCFXTLKSA-N -1 0 319.379 -0.097 20 0 DBADRM CC[C@]1(C)CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001604084380 1018296094 /nfs/dbraw/zinc/29/60/94/1018296094.db2.gz PUUZYCAYENMNLI-GFCCVEGCSA-N -1 0 306.330 -0.514 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001604084036 1018296388 /nfs/dbraw/zinc/29/63/88/1018296388.db2.gz YNRLPBOVJNFVMI-BJWRNBNPSA-N -1 0 319.383 -0.880 20 0 DBADRM C[C@]1(NC(=O)CCc2cn[nH]n2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500261076 1018300002 /nfs/dbraw/zinc/30/00/02/1018300002.db2.gz GGFWUDIDGUZHIY-ZDUSSCGKSA-N -1 0 320.357 -0.658 20 0 DBADRM CCCC(=O)N1CC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001604118273 1018300212 /nfs/dbraw/zinc/30/02/12/1018300212.db2.gz NEZMCPKAZVVHRS-VIFPVBQESA-N -1 0 302.342 -0.109 20 0 DBADRM C[C@]1(NC(=O)C[C@@H]2CCC(=O)N2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500269476 1018302468 /nfs/dbraw/zinc/30/24/68/1018302468.db2.gz RUFDUKSJPOUQCK-XPTSAGLGSA-N -1 0 322.369 -0.740 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC2(CNC(=O)O2)CC1)C(=O)[O-] ZINC001604207016 1018321697 /nfs/dbraw/zinc/32/16/97/1018321697.db2.gz WARIEKXKNDXKTJ-QMMMGPOBSA-N -1 0 306.340 -0.389 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCc1cc(C2CC2)n(C)n1 ZINC001604134302 1018303336 /nfs/dbraw/zinc/30/33/36/1018303336.db2.gz VXFAIPXAUVNQIN-UHFFFAOYSA-N -1 0 308.338 -0.153 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC001604134318 1018304098 /nfs/dbraw/zinc/30/40/98/1018304098.db2.gz WQTYLWFRCFBUAK-NSHDSACASA-N -1 0 322.365 -0.256 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCCC(=O)N1CCCCC1 ZINC001604134129 1018304200 /nfs/dbraw/zinc/30/42/00/1018304200.db2.gz QJVYBSBVWQJSBQ-UHFFFAOYSA-N -1 0 313.354 -0.562 20 0 DBADRM CCC[C@](C)(O)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001604128858 1018304441 /nfs/dbraw/zinc/30/44/41/1018304441.db2.gz QFUIVMHMNIKEKK-LBPRGKRZSA-N -1 0 323.361 -0.692 20 0 DBADRM C[C@@]1(NC(=O)Cc2ncc[nH]2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500271080 1018304789 /nfs/dbraw/zinc/30/47/89/1018304789.db2.gz BSXRVIUSXDIEQH-CYBMUJFWSA-N -1 0 305.342 -0.443 20 0 DBADRM CCC[C@H](O)[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001604144823 1018305523 /nfs/dbraw/zinc/30/55/23/1018305523.db2.gz MJFVYGKRFJKJMR-QWRGUYRKSA-N -1 0 321.337 -0.176 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cc[nH]n1)Nc1ccnc(C(=O)[O-])n1 ZINC001604155139 1018306189 /nfs/dbraw/zinc/30/61/89/1018306189.db2.gz FSZCERHWDWZYPL-QMMMGPOBSA-N -1 0 304.310 -0.108 20 0 DBADRM CCCCC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001604158105 1018306515 /nfs/dbraw/zinc/30/65/15/1018306515.db2.gz VBVQOYVPXFKDSX-UHFFFAOYSA-N -1 0 307.314 -0.565 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001604148738 1018306587 /nfs/dbraw/zinc/30/65/87/1018306587.db2.gz ZGDUIGWYYFKMCA-IVZWLZJFSA-N -1 0 322.383 -0.402 20 0 DBADRM C[C@@H](CN(C)C(=O)Cc1cnc[nH]1)Nc1ccnc(C(=O)[O-])n1 ZINC001604154174 1018306665 /nfs/dbraw/zinc/30/66/65/1018306665.db2.gz WLCVJXVJEZXXJE-VIFPVBQESA-N -1 0 318.337 -0.179 20 0 DBADRM C[C@H](CN(C)C(=O)Cc1cnc[nH]1)Nc1ccnc(C(=O)[O-])n1 ZINC001604154173 1018306795 /nfs/dbraw/zinc/30/67/95/1018306795.db2.gz WLCVJXVJEZXXJE-SECBINFHSA-N -1 0 318.337 -0.179 20 0 DBADRM C[C@@H](CN(C(=O)Cn1ncn2nccc2c1=O)C1CC1)C(=O)[O-] ZINC001604150010 1018307177 /nfs/dbraw/zinc/30/71/77/1018307177.db2.gz NBBYTBQPNQUIHV-VIFPVBQESA-N -1 0 319.321 -0.397 20 0 DBADRM C[C@@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)c1nnc[nH]1 ZINC001604142516 1018307684 /nfs/dbraw/zinc/30/76/84/1018307684.db2.gz UCFIAJYCCLKJQJ-ZETCQYMHSA-N -1 0 305.298 -0.087 20 0 DBADRM CCCC[C@@](C)(CO)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001604162615 1018309291 /nfs/dbraw/zinc/30/92/91/1018309291.db2.gz XTTBSPFDWXJNHT-LBPRGKRZSA-N -1 0 308.346 -0.484 20 0 DBADRM CN(CCCC(=O)[O-])S(=O)(=O)CCCCS(N)(=O)=O ZINC001604167707 1018309759 /nfs/dbraw/zinc/30/97/59/1018309759.db2.gz ZWKBDRMURQYFIY-UHFFFAOYSA-N -1 0 316.401 -0.819 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)Cn1cccn1 ZINC001604168152 1018310266 /nfs/dbraw/zinc/31/02/66/1018310266.db2.gz GBMPDOIFCVBHLG-MXWKQRLJSA-N -1 0 308.338 -0.385 20 0 DBADRM C[C@H](CN1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)CS(C)(=O)=O ZINC001604165161 1018310754 /nfs/dbraw/zinc/31/07/54/1018310754.db2.gz MJVHMXDJIJAHGW-BXKDBHETSA-N -1 0 304.368 -0.028 20 0 DBADRM C[C@H](CN(C)C(=O)c1cnon1)Nc1ccnc(C(=O)[O-])n1 ZINC001604158546 1018310893 /nfs/dbraw/zinc/31/08/93/1018310893.db2.gz ZETJMEOSVBBQAB-SSDOTTSWSA-N -1 0 306.282 -0.448 20 0 DBADRM C[C@H](CNC(=O)[C@]1(C)CCNC1=O)Nc1ncc(C(=O)[O-])cn1 ZINC001604172686 1018311529 /nfs/dbraw/zinc/31/15/29/1018311529.db2.gz AOCNWDVKMGDTGX-XLKFXECMSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)Nc1ccnc(C(=O)[O-])n1 ZINC001604172910 1018311889 /nfs/dbraw/zinc/31/18/89/1018311889.db2.gz IQMSBEVDLBIZAM-BDAKNGLRSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@H](CNC(=O)[C@@]1(F)CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001604173387 1018312104 /nfs/dbraw/zinc/31/21/04/1018312104.db2.gz SMLLHHRLISTEJZ-AMIZOPFISA-N -1 0 312.301 -0.358 20 0 DBADRM CN(CCN1CCOC(C)(C)C1)CCS(=O)(=O)CC(=O)[O-] ZINC001604174909 1018312143 /nfs/dbraw/zinc/31/21/43/1018312143.db2.gz KLEAKTJQKBOPLA-UHFFFAOYSA-N -1 0 322.427 -0.472 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001604173003 1018312166 /nfs/dbraw/zinc/31/21/66/1018312166.db2.gz KDUBSQFSCDAMHO-NXEZZACHSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@H](CNC(=O)CN1CCCC2(CC2)S1(=O)=O)C(=O)[O-] ZINC001604174519 1018312577 /nfs/dbraw/zinc/31/25/77/1018312577.db2.gz VAOJLPRKENHRQW-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCOC1)CNc1ccnc(C(=O)[O-])n1 ZINC001604173181 1018312786 /nfs/dbraw/zinc/31/27/86/1018312786.db2.gz NTIZQZQCAQOFLE-NXEZZACHSA-N -1 0 308.338 -0.203 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1)C(=O)[O-] ZINC001604206755 1018322107 /nfs/dbraw/zinc/32/21/07/1018322107.db2.gz RNTGRJSMIFAQOO-UTLUCORTSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@H](CC(N)=O)C(=O)NC[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001604172206 1018312914 /nfs/dbraw/zinc/31/29/14/1018312914.db2.gz SCGXNSSKUIQBGE-RKDXNWHRSA-N -1 0 323.353 -0.150 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)Nc1ccnc(C(=O)[O-])n1 ZINC001604172915 1018313159 /nfs/dbraw/zinc/31/31/59/1018313159.db2.gz IQMSBEVDLBIZAM-RKDXNWHRSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@@H](CNC(=O)N1CC(O)(C(=O)[O-])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001604174742 1018313208 /nfs/dbraw/zinc/31/32/08/1018313208.db2.gz XHPDWTAXDNRNPY-GARJFASQSA-N -1 0 315.370 -0.675 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)[C@@H]1COCCO1 ZINC001604190811 1018314172 /nfs/dbraw/zinc/31/41/72/1018314172.db2.gz OSUCAGYOCMSOJY-UWVGGRQHSA-N -1 0 324.337 -0.729 20 0 DBADRM C[C@H](CNC(=O)c1cnn(C)n1)CNc1ncc(C(=O)[O-])cn1 ZINC001604184573 1018314184 /nfs/dbraw/zinc/31/41/84/1018314184.db2.gz YHDFVQYUFNNUQP-MRVPVSSYSA-N -1 0 319.325 -0.219 20 0 DBADRM C[C@@H](CNC(=O)c1cnns1)CNc1ccnc(C(=O)[O-])n1 ZINC001604184474 1018314200 /nfs/dbraw/zinc/31/42/00/1018314200.db2.gz WEZHPNFALCHTCY-SSDOTTSWSA-N -1 0 322.350 -0.074 20 0 DBADRM C[C@@H](CNC(=O)c1cn(C)nn1)CNc1ncc(C(=O)[O-])cn1 ZINC001604183039 1018314627 /nfs/dbraw/zinc/31/46/27/1018314627.db2.gz AROAHMWWGUJZAK-QMMMGPOBSA-N -1 0 319.325 -0.219 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCNC(=O)CC12CCC2)C(=O)[O-] ZINC001604210688 1018323362 /nfs/dbraw/zinc/32/33/62/1018323362.db2.gz OMDNZASYGUQZHH-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)N(C)C(=O)c1cn(C)nn1 ZINC001604189494 1018315510 /nfs/dbraw/zinc/31/55/10/1018315510.db2.gz APGBWJVEUVKONC-QMMMGPOBSA-N -1 0 319.325 -0.124 20 0 DBADRM CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001604181447 1018315673 /nfs/dbraw/zinc/31/56/73/1018315673.db2.gz QCWUQSYHWYKNDV-SDDRHHMPSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](CS(=O)(=O)NCc1nc(C(F)(F)F)n[nH]1)C(=O)[O-] ZINC001604208218 1018323427 /nfs/dbraw/zinc/32/34/27/1018323427.db2.gz AQXPKFUSNQFLRG-BYPYZUCNSA-N -1 0 316.261 -0.036 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CCC2(CC1)NC(=O)N(C)C2=O ZINC001604196904 1018316286 /nfs/dbraw/zinc/31/62/86/1018316286.db2.gz RAWMQCROEAGULE-UHFFFAOYSA-N -1 0 321.337 -0.366 20 0 DBADRM CN(Cc1cn(C)nn1)C(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001604197423 1018316625 /nfs/dbraw/zinc/31/66/25/1018316625.db2.gz WTXZWDALNRHBAH-UHFFFAOYSA-N -1 0 323.353 -0.467 20 0 DBADRM C[C@](CO)(NC(=O)CNC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC001604192016 1018317424 /nfs/dbraw/zinc/31/74/24/1018317424.db2.gz STZKBLHFVZPKIF-OAHLLOKOSA-N -1 0 319.317 -0.151 20 0 DBADRM C[C@](CO)(NC(=O)c1cccn(CC(F)(F)F)c1=O)C(=O)[O-] ZINC001604193124 1018317893 /nfs/dbraw/zinc/31/78/93/1018317893.db2.gz DYOYTZFYXZEYJB-LLVKDONJSA-N -1 0 322.239 -0.024 20 0 DBADRM C[C@](CO)(NC(=O)[C@H]1CCN(Cc2ccccc2)C1=O)C(=O)[O-] ZINC001604191385 1018318338 /nfs/dbraw/zinc/31/83/38/1018318338.db2.gz OCHAKSBURCKHEK-MLGOLLRUSA-N -1 0 320.345 -0.013 20 0 DBADRM CN1CC(=O)N(CC(=O)NCc2ccccc2C(=O)[O-])C1=O ZINC001604201479 1018318847 /nfs/dbraw/zinc/31/88/47/1018318847.db2.gz UGJOOTQLXCPOQM-UHFFFAOYSA-N -1 0 305.290 -0.105 20 0 DBADRM C[C@](CO)(NS(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1)C(=O)[O-] ZINC001604199206 1018319052 /nfs/dbraw/zinc/31/90/52/1018319052.db2.gz VQUMWBPWUZOKEH-JFGNBEQYSA-N -1 0 307.368 -0.301 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)NCCCCCC(=O)[O-])CCC1=O ZINC001604201538 1018319657 /nfs/dbraw/zinc/31/96/57/1018319657.db2.gz WJGNHSLNFVVRJH-SNVBAGLBSA-N -1 0 313.354 -0.515 20 0 DBADRM CN(Cc1cn(C)nn1)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001604197559 1018319711 /nfs/dbraw/zinc/31/97/11/1018319711.db2.gz ZAESVKRYCPZNHO-VIFPVBQESA-N -1 0 309.326 -0.903 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-] ZINC001604198332 1018320098 /nfs/dbraw/zinc/32/00/98/1018320098.db2.gz FNBQNDDXFRAJRX-ZETCQYMHSA-N -1 0 309.262 -0.680 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)NCCCCCC(=O)[O-])CCC1=O ZINC001604201537 1018320215 /nfs/dbraw/zinc/32/02/15/1018320215.db2.gz WJGNHSLNFVVRJH-JTQLQIEISA-N -1 0 313.354 -0.515 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001604210844 1018321644 /nfs/dbraw/zinc/32/16/44/1018321644.db2.gz LPMUFIYLYIENHR-WPRPVWTQSA-N -1 0 322.383 -0.713 20 0 DBADRM CCCNC(=O)Cn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O ZINC001604222306 1018325711 /nfs/dbraw/zinc/32/57/11/1018325711.db2.gz RXPSJXUTHGCBGA-UHFFFAOYSA-N -1 0 320.309 -0.659 20 0 DBADRM CN1CCN(S(=O)(=O)NCc2ccccc2C(=O)[O-])CC1 ZINC001604221578 1018326176 /nfs/dbraw/zinc/32/61/76/1018326176.db2.gz VBISUNITZDSCMY-UHFFFAOYSA-N -1 0 313.379 -0.033 20 0 DBADRM C[C@H](CS(=O)(=O)NCC1(C2(O)CCOCC2)CC1)C(=O)[O-] ZINC001604212059 1018326202 /nfs/dbraw/zinc/32/62/02/1018326202.db2.gz XRXFPDKDQBOQIU-SNVBAGLBSA-N -1 0 321.395 -0.052 20 0 DBADRM CN1CCN(C(=O)C2(CC(=O)[O-])CCOCC2)C[C@H]1CO ZINC001604221300 1018327183 /nfs/dbraw/zinc/32/71/83/1018327183.db2.gz PJNJXKMWXJEQPW-NSHDSACASA-N -1 0 300.355 -0.607 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001604239797 1018328893 /nfs/dbraw/zinc/32/88/93/1018328893.db2.gz DLDCUWZVULNUDD-SECBINFHSA-N -1 0 321.333 -0.107 20 0 DBADRM CNC(=O)C[C@@H](NC(=O)C(=O)NCCC(=O)[O-])c1ccccc1 ZINC001604231879 1018329007 /nfs/dbraw/zinc/32/90/07/1018329007.db2.gz IWHFYLYOEKJCOS-LLVKDONJSA-N -1 0 321.333 -0.429 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001604227406 1018329346 /nfs/dbraw/zinc/32/93/46/1018329346.db2.gz GMFKTQWOORHZAG-MNOVXSKESA-N -1 0 306.384 -0.557 20 0 DBADRM CN1CCn2c(CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)nnc2C1=O ZINC001604231462 1018329452 /nfs/dbraw/zinc/32/94/52/1018329452.db2.gz STVSCCGLUHXKBR-VIFPVBQESA-N -1 0 323.353 -0.273 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001604231799 1018329843 /nfs/dbraw/zinc/32/98/43/1018329843.db2.gz HNLXBYSKGCQOLW-IVZWLZJFSA-N -1 0 313.354 -0.804 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001604231660 1018330700 /nfs/dbraw/zinc/33/07/00/1018330700.db2.gz ZSHSDEDACDLWGJ-UWVGGRQHSA-N -1 0 307.354 -0.172 20 0 DBADRM CNS(=O)(=O)CCCOC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001604249038 1018331865 /nfs/dbraw/zinc/33/18/65/1018331865.db2.gz DIVQHOWRCSBKEA-UHFFFAOYSA-N -1 0 323.367 -0.260 20 0 DBADRM C[C@H](Cn1cncn1)N1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001604248397 1018332135 /nfs/dbraw/zinc/33/21/35/1018332135.db2.gz CMQBKRPXVJOTTF-UTLUCORTSA-N -1 0 307.310 -0.206 20 0 DBADRM CNS(=O)(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001604248944 1018332646 /nfs/dbraw/zinc/33/26/46/1018332646.db2.gz BUEHSWACZHSBMO-RKDXNWHRSA-N -1 0 302.356 -0.626 20 0 DBADRM C[C@H](Cn1cncn1)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001604249444 1018334597 /nfs/dbraw/zinc/33/45/97/1018334597.db2.gz NLBARBDIMPZQTM-ZCFIWIBFSA-N -1 0 300.300 -0.934 20 0 DBADRM CNc1nc(C)cc(C(=O)NCCOCCOCC(=O)[O-])n1 ZINC001604253769 1018335048 /nfs/dbraw/zinc/33/50/48/1018335048.db2.gz QZMIQWCQYRXLKG-UHFFFAOYSA-N -1 0 312.326 -0.326 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC001604249379 1018335363 /nfs/dbraw/zinc/33/53/63/1018335363.db2.gz JJGVLVYKZLMMNY-SECBINFHSA-N -1 0 302.352 -0.443 20 0 DBADRM COC(=O)[C@](C)(Cn1cccn1)NC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001604262360 1018337339 /nfs/dbraw/zinc/33/73/39/1018337339.db2.gz FBSYLQLBWYEGOA-ZDUSSCGKSA-N -1 0 321.293 -0.334 20 0 DBADRM CCN(C(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCOC1 ZINC001604260718 1018337351 /nfs/dbraw/zinc/33/73/51/1018337351.db2.gz BFSRDHOTBUMRTN-SECBINFHSA-N -1 0 321.345 -0.721 20 0 DBADRM COC(=O)[C@@H](COC(C)C)N(C)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001604267307 1018337610 /nfs/dbraw/zinc/33/76/10/1018337610.db2.gz GDNROGCVEUWAGK-GHMZBOCLSA-N -1 0 316.354 -0.430 20 0 DBADRM COC(=O)[C@H](C)CN(C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604262775 1018338155 /nfs/dbraw/zinc/33/81/55/1018338155.db2.gz NTURBUZOOWVPCX-NXEZZACHSA-N -1 0 314.338 -0.423 20 0 DBADRM C[C@@H](NC(=O)CN1CCSC[C@H](C(=O)[O-])C1)C(=O)N(C)C ZINC001604274970 1018339121 /nfs/dbraw/zinc/33/91/21/1018339121.db2.gz IGLPLNKJVJFRFA-NXEZZACHSA-N -1 0 317.411 -0.671 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC001604274155 1018339058 /nfs/dbraw/zinc/33/90/58/1018339058.db2.gz JJDOWMUWEZEUSC-UHFFFAOYSA-N -1 0 311.323 -0.038 20 0 DBADRM C[C@H](NC(=O)CN1C(=O)CNC1=O)c1ncc(C(=O)[O-])s1 ZINC001604274960 1018340283 /nfs/dbraw/zinc/34/02/83/1018340283.db2.gz IEWRSRDCCZOMSB-YFKPBYRVSA-N -1 0 312.307 -0.430 20 0 DBADRM COC(=O)C1(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)CCC1 ZINC001604276024 1018340626 /nfs/dbraw/zinc/34/06/26/1018340626.db2.gz REJIYQZYUNKORH-SNVBAGLBSA-N -1 0 307.324 -0.755 20 0 DBADRM COC(=O)C1(CNC(=O)NC[C@H](C)C(=O)[O-])CCOCC1 ZINC001604276039 1018340835 /nfs/dbraw/zinc/34/08/35/1018340835.db2.gz RYBVCHDCLPGNIP-VIFPVBQESA-N -1 0 302.327 -0.024 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)C[C@@H]2C(=O)[O-] ZINC001604283155 1018341649 /nfs/dbraw/zinc/34/16/49/1018341649.db2.gz DBSXOKKJIHVVCR-XJGHLBKUSA-N -1 0 324.333 -0.623 20 0 DBADRM C[C@@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1nncn1C ZINC001604290149 1018343593 /nfs/dbraw/zinc/34/35/93/1018343593.db2.gz DAJCLUQCGINXHF-CSMHCCOUSA-N -1 0 312.330 -0.847 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)COCC(=O)[O-] ZINC001604289299 1018343841 /nfs/dbraw/zinc/34/38/41/1018343841.db2.gz CWYTXDCHBXSQIX-DTWKUNHWSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CCCCN(C)C1=O ZINC001604303042 1018344985 /nfs/dbraw/zinc/34/49/85/1018344985.db2.gz HINBHPYVMATWOC-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001604302761 1018345478 /nfs/dbraw/zinc/34/54/78/1018345478.db2.gz APPVGUNDJQCYPW-SECBINFHSA-N -1 0 324.337 -0.604 20 0 DBADRM COC(=O)[C@@H]1CSCCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001604293904 1018346245 /nfs/dbraw/zinc/34/62/45/1018346245.db2.gz ZTNLZFBWMJXYME-YUMQZZPRSA-N -1 0 302.308 -0.667 20 0 DBADRM COC(=O)[C@H]1CN(C)CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001604293587 1018346796 /nfs/dbraw/zinc/34/67/96/1018346796.db2.gz VAHGBYRILHWDQY-IINYFYTJSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@H](NC(=O)Nc1c(C(=O)[O-])cnn1C)C(=O)NCCF ZINC001604296365 1018347305 /nfs/dbraw/zinc/34/73/05/1018347305.db2.gz SGJYFQDTDDYJHB-ZCFIWIBFSA-N -1 0 301.278 -0.286 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)Cc1nc(C2CC2)nn1C ZINC001604305745 1018348276 /nfs/dbraw/zinc/34/82/76/1018348276.db2.gz GIHSSNLOFXPQFD-UHFFFAOYSA-N -1 0 324.337 -0.289 20 0 DBADRM C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001604306947 1018348469 /nfs/dbraw/zinc/34/84/69/1018348469.db2.gz KIHIRYMIOHAGAM-XVKPBYJWSA-N -1 0 320.305 -0.757 20 0 DBADRM C[C@](NC(=O)c1ccc(S(N)(=O)=O)cn1)(C(=O)[O-])C1CC1 ZINC001604315285 1018348854 /nfs/dbraw/zinc/34/88/54/1018348854.db2.gz VJDBGRHIJSCWFS-GFCCVEGCSA-N -1 0 313.335 -0.288 20 0 DBADRM COC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001604304100 1018349271 /nfs/dbraw/zinc/34/92/71/1018349271.db2.gz KNIIBMXUVGNUPI-APPZFPTMSA-N -1 0 300.267 -0.994 20 0 DBADRM COC(=O)CCN1CCC[C@H](OC(=O)[C@@H](C)C(=O)[O-])C1=O ZINC001604317321 1018349397 /nfs/dbraw/zinc/34/93/97/1018349397.db2.gz NDGYMBSOUMGUQV-IUCAKERBSA-N -1 0 301.295 -0.196 20 0 DBADRM COC(=O)CCN1CCC[C@@H](OC(=O)[C@H](C)C(=O)[O-])C1=O ZINC001604317322 1018349907 /nfs/dbraw/zinc/34/99/07/1018349907.db2.gz NDGYMBSOUMGUQV-RKDXNWHRSA-N -1 0 301.295 -0.196 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)N(C)CCCC(=O)[O-] ZINC001604318378 1018350845 /nfs/dbraw/zinc/35/08/45/1018350845.db2.gz UWBDLHRYNDFZNR-UHFFFAOYSA-N -1 0 317.342 -0.438 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1cc2ncccn2n1)C(=O)[O-] ZINC001604320789 1018351907 /nfs/dbraw/zinc/35/19/07/1018351907.db2.gz KPBUCAQJPMGHGD-QMMMGPOBSA-N -1 0 306.278 -0.135 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CN1CCSC1=O)C(=O)[O-] ZINC001604321346 1018352327 /nfs/dbraw/zinc/35/23/27/1018352327.db2.gz UJSNHARZQHRUKI-ZETCQYMHSA-N -1 0 304.324 -0.322 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001604317458 1018352761 /nfs/dbraw/zinc/35/27/61/1018352761.db2.gz VHPBAAMWUKZHKX-IVZWLZJFSA-N -1 0 321.351 -0.414 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)C(=O)[O-] ZINC001604320377 1018352890 /nfs/dbraw/zinc/35/28/90/1018352890.db2.gz ATARCKUSHAVMRN-QMMMGPOBSA-N -1 0 323.367 -0.278 20 0 DBADRM C[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])[C@H]1CN(C)CCO1 ZINC001604351578 1018355767 /nfs/dbraw/zinc/35/57/67/1018355767.db2.gz WVIGQMSSCFQXHX-NXEZZACHSA-N -1 0 308.400 -0.264 20 0 DBADRM COC(=O)N1CCC(NC(=O)C(=O)N(C)CCC(=O)[O-])CC1 ZINC001604344813 1018356615 /nfs/dbraw/zinc/35/66/15/1018356615.db2.gz CZJJOJYWTWLPPD-UHFFFAOYSA-N -1 0 315.326 -0.734 20 0 DBADRM C[C@@H](NCC(=O)N1CCNC(=O)C1)c1ncc(C(=O)[O-])s1 ZINC001604330644 1018357105 /nfs/dbraw/zinc/35/71/05/1018357105.db2.gz VAHQNLWFTFNEMC-SSDOTTSWSA-N -1 0 312.351 -0.550 20 0 DBADRM C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)NCCF ZINC001604354083 1018357652 /nfs/dbraw/zinc/35/76/52/1018357652.db2.gz LBTASBNOMSWSES-ZCFIWIBFSA-N -1 0 307.303 -0.535 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001604358205 1018358947 /nfs/dbraw/zinc/35/89/47/1018358947.db2.gz LKQRKYHZFXWHFG-GMSGAONNSA-N -1 0 316.335 -0.428 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N[C@@]2(C(=O)[O-])CCOC2)C[C@H]1C ZINC001604359793 1018363560 /nfs/dbraw/zinc/36/35/60/1018363560.db2.gz UKCGHYCOYXPSMA-LHGDZMGGSA-N -1 0 301.295 -0.687 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001604378693 1018364713 /nfs/dbraw/zinc/36/47/13/1018364713.db2.gz PXYYZORFWAVLQR-KBPBESRZSA-N -1 0 312.297 -0.376 20 0 DBADRM C[C@](O)(CNC(=O)c1ccnc(O[C@@H]2CCOC2)c1)C(=O)[O-] ZINC001604373647 1018364866 /nfs/dbraw/zinc/36/48/66/1018364866.db2.gz YKSAPDXSNOJHGG-YGRLFVJLSA-N -1 0 310.306 -0.185 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC001604378366 1018365118 /nfs/dbraw/zinc/36/51/18/1018365118.db2.gz OAQNNEAAFXQKRU-LLVKDONJSA-N -1 0 320.345 -0.021 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001604378927 1018365334 /nfs/dbraw/zinc/36/53/34/1018365334.db2.gz PCVJUQJFIDCUJH-XICLSFFLSA-N -1 0 302.302 -0.713 20 0 DBADRM C[C@@H](O)C(C)(C)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001604377214 1018365824 /nfs/dbraw/zinc/36/58/24/1018365824.db2.gz CCQMFJMZTVISEX-NXEZZACHSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCSCC(=O)[O-] ZINC001604378151 1018365868 /nfs/dbraw/zinc/36/58/68/1018365868.db2.gz KSMZNIHEAUSPBK-GMSGAONNSA-N -1 0 304.368 -0.804 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)CCCn2ccc(C(=O)[O-])n2)CCO1 ZINC001604380106 1018366056 /nfs/dbraw/zinc/36/60/56/1018366056.db2.gz JPBGUIFUIRDNSD-JQWIXIFHSA-N -1 0 311.338 -0.030 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001604384907 1018367199 /nfs/dbraw/zinc/36/71/99/1018367199.db2.gz YPQXECZLRIHLAJ-OOCWMUITSA-N -1 0 312.366 -0.169 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1)[C@@H](C)CO ZINC001604387125 1018367308 /nfs/dbraw/zinc/36/73/08/1018367308.db2.gz RYDFUEKQFZHSDS-UWVGGRQHSA-N -1 0 324.333 -0.087 20 0 DBADRM CC(C)N(C[C@H](C)O)C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001604384964 1018367555 /nfs/dbraw/zinc/36/75/55/1018367555.db2.gz ZDCYHDNFUNYLNB-OUAUKWLOSA-N -1 0 300.355 -0.217 20 0 DBADRM C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001604386752 1018368516 /nfs/dbraw/zinc/36/85/16/1018368516.db2.gz DBGNARFFHFQFAG-ZDCRXTMVSA-N -1 0 314.338 -0.941 20 0 DBADRM C[C@@H](O)CN(C(=O)Nc1cc(C(=O)[O-])nn1C)[C@@H](C)CO ZINC001604386188 1018368598 /nfs/dbraw/zinc/36/85/98/1018368598.db2.gz CZWSCTDRISTHGM-JGVFFNPUSA-N -1 0 300.315 -0.286 20 0 DBADRM CCOC(=O)[C@H](C)N(C)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604382563 1018369112 /nfs/dbraw/zinc/36/91/12/1018369112.db2.gz AHLZOAKPUOAMFJ-YUMQZZPRSA-N -1 0 322.329 -0.571 20 0 DBADRM C[C@@H](O)[C@H]1CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC001604381451 1018369268 /nfs/dbraw/zinc/36/92/68/1018369268.db2.gz VTGKGJHPUYQFQJ-CHWFTXMASA-N -1 0 307.368 -0.349 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)NCC(=O)[O-] ZINC001604393350 1018370814 /nfs/dbraw/zinc/37/08/14/1018370814.db2.gz ITQNMLLNLURIMY-DTWKUNHWSA-N -1 0 314.338 -0.234 20 0 DBADRM C[C@@H](OC(=O)CCNC(=O)C(C)(C)C)C(=O)NCC(=O)[O-] ZINC001604397982 1018370946 /nfs/dbraw/zinc/37/09/46/1018370946.db2.gz OHECPTBAGPHAHH-MRVPVSSYSA-N -1 0 302.327 -0.329 20 0 DBADRM COC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])n1 ZINC001604400394 1018371437 /nfs/dbraw/zinc/37/14/37/1018371437.db2.gz YQTLCJGMNSMTAM-SSDOTTSWSA-N -1 0 309.278 -0.356 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1 ZINC001604400823 1018371569 /nfs/dbraw/zinc/37/15/69/1018371569.db2.gz AUUWSHDOOSJNDX-MRVPVSSYSA-N -1 0 319.339 -0.210 20 0 DBADRM C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1)C(=O)C(=O)[O-] ZINC001604402243 1018374922 /nfs/dbraw/zinc/37/49/22/1018374922.db2.gz NGIGWJBARIZMCQ-MRVPVSSYSA-N -1 0 315.303 -0.450 20 0 DBADRM C[C@@H](OC(=O)CNC(=O)c1cccc(O)c1)C(=O)NCC(=O)[O-] ZINC001604402741 1018375594 /nfs/dbraw/zinc/37/55/94/1018375594.db2.gz VKXCAMWMKOEHTJ-MRVPVSSYSA-N -1 0 324.289 -0.746 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@](C)(C(=O)N(C)C)C(F)(F)F ZINC001604423716 1018377409 /nfs/dbraw/zinc/37/74/09/1018377409.db2.gz HLNFWHMCQJMXHD-MLUIRONXSA-N -1 0 300.233 -0.389 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001604423160 1018377571 /nfs/dbraw/zinc/37/75/71/1018377571.db2.gz VNKPIJXVMSVZMX-AXFHLTTASA-N -1 0 312.326 -0.568 20 0 DBADRM C[C@@H](OC[C@@H]1CCCO1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001604423150 1018378055 /nfs/dbraw/zinc/37/80/55/1018378055.db2.gz VDEPVZMCIJQDTF-MMWGEVLESA-N -1 0 316.354 -0.336 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC001604420721 1018378144 /nfs/dbraw/zinc/37/81/44/1018378144.db2.gz BVSCIHOMFSQFGH-NHYWBVRUSA-N -1 0 306.318 -0.258 20 0 DBADRM C[C@@H](OC(=O)c1nccnc1N)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001604418545 1018378478 /nfs/dbraw/zinc/37/84/78/1018378478.db2.gz HERAPPCZWFBDOK-MRVPVSSYSA-N -1 0 322.321 -0.073 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC001604432999 1018379487 /nfs/dbraw/zinc/37/94/87/1018379487.db2.gz XBHSZNICDDCNOS-VIFPVBQESA-N -1 0 320.298 -0.811 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N1CCOCC1 ZINC001604435665 1018379730 /nfs/dbraw/zinc/37/97/30/1018379730.db2.gz XWQAXKIXEJVARO-WDEREUQCSA-N -1 0 316.354 -0.524 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC001604431547 1018380028 /nfs/dbraw/zinc/38/00/28/1018380028.db2.gz DBXUGDBNTNLSKM-MFKMUULPSA-N -1 0 318.395 -0.590 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC001604424817 1018380164 /nfs/dbraw/zinc/38/01/64/1018380164.db2.gz VLWXETDHTUGHRM-RDDDGLTNSA-N -1 0 319.260 -0.080 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC001604424849 1018381164 /nfs/dbraw/zinc/38/11/64/1018381164.db2.gz WEMGRYPUUHWGAZ-GHMZBOCLSA-N -1 0 313.331 -0.128 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC001604424815 1018381583 /nfs/dbraw/zinc/38/15/83/1018381583.db2.gz VLWXETDHTUGHRM-CPCISQLKSA-N -1 0 319.260 -0.080 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cccc(-c2nn[nH]n2)c1C ZINC001604437697 1018381850 /nfs/dbraw/zinc/38/18/50/1018381850.db2.gz DJLLIWBTWFPQCO-UHFFFAOYSA-N -1 0 304.310 -0.027 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1cccnc1N1CCOCC1 ZINC001604432205 1018382318 /nfs/dbraw/zinc/38/23/18/1018382318.db2.gz NKONXMNUVGWBHA-NSHDSACASA-N -1 0 309.322 -0.366 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC001604454942 1018383853 /nfs/dbraw/zinc/38/38/53/1018383853.db2.gz JCDZYUDQDRUQJO-AWEZNQCLSA-N -1 0 315.370 -0.855 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC001604450056 1018383880 /nfs/dbraw/zinc/38/38/80/1018383880.db2.gz ARZGXUZMEHWQPF-BXKDBHETSA-N -1 0 307.368 -0.241 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)CCO)cc1 ZINC001604442987 1018383961 /nfs/dbraw/zinc/38/39/61/1018383961.db2.gz ZKRDKNRWMFXSBF-SNVBAGLBSA-N -1 0 317.319 -0.509 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001604459860 1018384586 /nfs/dbraw/zinc/38/45/86/1018384586.db2.gz WVNCJSGSXRRSEO-APPZFPTMSA-N -1 0 324.366 -0.169 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC001604455569 1018384831 /nfs/dbraw/zinc/38/48/31/1018384831.db2.gz XAYOLPYVXLYOBS-CYBMUJFWSA-N -1 0 312.301 -0.246 20 0 DBADRM CCO[C@@]1(C)C[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604441357 1018385212 /nfs/dbraw/zinc/38/52/12/1018385212.db2.gz YXOREIHSPHSIGI-INWYIAFRSA-N -1 0 307.314 -0.355 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)O[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC001604446057 1018385381 /nfs/dbraw/zinc/38/53/81/1018385381.db2.gz PACYLGIJWOVDDY-NXEZZACHSA-N -1 0 311.294 -0.442 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC(C(=O)NCCCO)CC1 ZINC001604450799 1018385413 /nfs/dbraw/zinc/38/54/13/1018385413.db2.gz MSPWVQXKRSKYDS-AWEZNQCLSA-N -1 0 316.354 -0.787 20 0 DBADRM COC(CN(CCCO)C(=O)c1cc(C(=O)[O-])nn1C)OC ZINC001604471531 1018386034 /nfs/dbraw/zinc/38/60/34/1018386034.db2.gz WCLYBXILYMPTAT-UHFFFAOYSA-N -1 0 315.326 -0.438 20 0 DBADRM COC1(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])CS(=O)(=O)C1 ZINC001604480196 1018386344 /nfs/dbraw/zinc/38/63/44/1018386344.db2.gz HEBZFNGGDUXOJM-IUCAKERBSA-N -1 0 305.352 -0.488 20 0 DBADRM CO[C@@H]([C@H](C)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C1CC1 ZINC001604471690 1018386751 /nfs/dbraw/zinc/38/67/51/1018386751.db2.gz XFHJEAWHLUPUNE-UFBFGSQYSA-N -1 0 324.337 -0.164 20 0 DBADRM C[C@H](c1nc(C(=O)[O-])co1)N1CCC(NS(N)(=O)=O)CC1 ZINC001604476745 1018387124 /nfs/dbraw/zinc/38/71/24/1018387124.db2.gz FKAXBGDTUMCIKB-SSDOTTSWSA-N -1 0 318.355 -0.309 20 0 DBADRM CO[C@@](C)(CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C1CC1 ZINC001604472046 1018388426 /nfs/dbraw/zinc/38/84/26/1018388426.db2.gz PCHKTACERUSYOZ-AWEZNQCLSA-N -1 0 324.337 -0.163 20 0 DBADRM CC1(C(=O)NCC(=O)NCC(=O)[O-])CCC2(CC1)OCCO2 ZINC001604486193 1018388842 /nfs/dbraw/zinc/38/88/42/1018388842.db2.gz DWLLOIVYQAWSNC-UHFFFAOYSA-N -1 0 314.338 -0.373 20 0 DBADRM CC1(C(=O)N2CCC(O)(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)CC1 ZINC001604485093 1018389179 /nfs/dbraw/zinc/38/91/79/1018389179.db2.gz YLRGKONDRCYIGQ-WDEREUQCSA-N -1 0 324.377 -0.023 20 0 DBADRM C[C@@]1(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CCCO1 ZINC001604486524 1018389239 /nfs/dbraw/zinc/38/92/39/1018389239.db2.gz XTRAADGDFFMSCK-LSDHHAIUSA-N -1 0 312.366 -0.057 20 0 DBADRM CO[C@@H](CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@H]1CCOC1 ZINC001604482238 1018389364 /nfs/dbraw/zinc/38/93/64/1018389364.db2.gz URCUHIAKRIQCFP-DCAQKATOSA-N -1 0 322.383 -0.579 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCNC(=O)CC2)C1 ZINC001604489514 1018389920 /nfs/dbraw/zinc/38/99/20/1018389920.db2.gz GJZNQCFXVGNGNR-AWEZNQCLSA-N -1 0 311.338 -0.952 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])CCOC1 ZINC001604487896 1018390202 /nfs/dbraw/zinc/39/02/02/1018390202.db2.gz YMEYBPCEXAXPPR-AWEZNQCLSA-N -1 0 323.305 -0.360 20 0 DBADRM C[C@]1(C(=O)N2CCN(CC(=O)[O-])CC2)CCCS1(=O)=O ZINC001604485490 1018390408 /nfs/dbraw/zinc/39/04/08/1018390408.db2.gz AVXVXRQUTKRBEK-GFCCVEGCSA-N -1 0 304.368 -0.818 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(c2nnnn2CCN2CCOCC2)C1 ZINC001604497582 1018391714 /nfs/dbraw/zinc/39/17/14/1018391714.db2.gz LFXYAGPHDWMYJQ-AWEZNQCLSA-N -1 0 324.385 -0.304 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)C1 ZINC001604490650 1018392118 /nfs/dbraw/zinc/39/21/18/1018392118.db2.gz WQKBQGFGEGOURK-NZVBXONLSA-N -1 0 310.350 -0.460 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)nc2C1 ZINC001604500759 1018392330 /nfs/dbraw/zinc/39/23/30/1018392330.db2.gz FVQNRLPWWBAPRK-XPTSAGLGSA-N -1 0 309.322 -0.182 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 ZINC001604497251 1018392430 /nfs/dbraw/zinc/39/24/30/1018392430.db2.gz DMARMZFNXRFAQJ-BONVTDFDSA-N -1 0 320.349 -0.294 20 0 DBADRM COC1(OC)CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C[C@H]1O ZINC001604491472 1018392580 /nfs/dbraw/zinc/39/25/80/1018392580.db2.gz AJXVBCXNQYACBV-BXKDBHETSA-N -1 0 303.311 -0.798 20 0 DBADRM CO[C@@H]1CCC[C@@H]1Cn1nnnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001604501271 1018393159 /nfs/dbraw/zinc/39/31/59/1018393159.db2.gz UWIXPVUCGYKVIO-GMTAPVOTSA-N -1 0 311.342 -0.222 20 0 DBADRM CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001604500944 1018393174 /nfs/dbraw/zinc/39/31/74/1018393174.db2.gz LEAKXVYSGILVOP-NXEZZACHSA-N -1 0 324.337 -0.163 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001604497250 1018393342 /nfs/dbraw/zinc/39/33/42/1018393342.db2.gz DMARMZFNXRFAQJ-BMIGLBTASA-N -1 0 320.349 -0.294 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@H]2CCCO[C@@H]21 ZINC001604508383 1018394561 /nfs/dbraw/zinc/39/45/61/1018394561.db2.gz FPMJSZLCNZRGAG-RGOKHQFPSA-N -1 0 316.329 -0.155 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C(C)C ZINC001604514451 1018394613 /nfs/dbraw/zinc/39/46/13/1018394613.db2.gz GISLNMNEQNQYMH-WDEREUQCSA-N -1 0 316.354 -0.667 20 0 DBADRM CC1(C)C(=O)N(Cc2oncc2C(=O)[O-])C(=O)N1CC(N)=O ZINC001604507434 1018395088 /nfs/dbraw/zinc/39/50/88/1018395088.db2.gz SHYCOSGNPWXRGM-UHFFFAOYSA-N -1 0 310.266 -0.599 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001604515459 1018395167 /nfs/dbraw/zinc/39/51/67/1018395167.db2.gz UWOFUJXBLDZNKW-GARJFASQSA-N -1 0 315.370 -0.110 20 0 DBADRM COCC(=O)N1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001604505135 1018395477 /nfs/dbraw/zinc/39/54/77/1018395477.db2.gz OEFSIRJEWFCIOV-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM CC1(C(N)=O)CN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC001604506013 1018395495 /nfs/dbraw/zinc/39/54/95/1018395495.db2.gz MRULKENTIDCKPX-UHFFFAOYSA-N -1 0 323.280 -0.204 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001604505007 1018395556 /nfs/dbraw/zinc/39/55/56/1018395556.db2.gz LUXDHQWGRRDHSK-ZRUFSTJUSA-N -1 0 314.338 -0.772 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCc2ccoc2)C1 ZINC001604523473 1018396293 /nfs/dbraw/zinc/39/62/93/1018396293.db2.gz QMFCQKRTVALAFJ-OAHLLOKOSA-N -1 0 324.333 -0.112 20 0 DBADRM COC[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)C1CCOCC1 ZINC001604516453 1018396467 /nfs/dbraw/zinc/39/64/67/1018396467.db2.gz PVVCQWBDOIRJQM-LLVKDONJSA-N -1 0 312.326 -0.466 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NC[C@@]2(C)CCC(=O)N2)C1 ZINC001604533975 1018397158 /nfs/dbraw/zinc/39/71/58/1018397158.db2.gz SVHYTVUZDOPLHW-KGLIPLIRSA-N -1 0 313.354 -0.212 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001604535992 1018397238 /nfs/dbraw/zinc/39/72/38/1018397238.db2.gz SSZZWWCUEQPGBU-CYBMUJFWSA-N -1 0 308.294 -0.861 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@@]2(C)CCC(=O)N2)C1 ZINC001604533977 1018397304 /nfs/dbraw/zinc/39/73/04/1018397304.db2.gz SVHYTVUZDOPLHW-ZIAGYGMSSA-N -1 0 313.354 -0.212 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C2(N3CCOCC3)CC2)C1 ZINC001604522852 1018397430 /nfs/dbraw/zinc/39/74/30/1018397430.db2.gz GXQIGQISFZGBSJ-AWEZNQCLSA-N -1 0 312.366 -0.199 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C[C@H]2COC(=O)C2)CCO1 ZINC001604551597 1018399034 /nfs/dbraw/zinc/39/90/34/1018399034.db2.gz SGCFKTNEOLLQTE-RNCFNFMXSA-N -1 0 301.295 -0.732 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC001604556546 1018399240 /nfs/dbraw/zinc/39/92/40/1018399240.db2.gz ASQGRVMKNRAUQX-YPMHNXCESA-N -1 0 321.395 -0.387 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CN2CCSC2=O)CCO1 ZINC001604549914 1018399408 /nfs/dbraw/zinc/39/94/08/1018399408.db2.gz DSFZLATYMKEFFO-GFCCVEGCSA-N -1 0 318.351 -0.516 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CCc2cncnc2)CCO1 ZINC001604550965 1018399562 /nfs/dbraw/zinc/39/95/62/1018399562.db2.gz MMHJUGGJLQENBM-CQSZACIVSA-N -1 0 309.322 -0.262 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H]2CCc3c[nH]nc3C2)CCO1 ZINC001604549489 1018399697 /nfs/dbraw/zinc/39/96/97/1018399697.db2.gz BRSUZPUEPQBQAY-ZUZCIYMTSA-N -1 0 323.349 -0.157 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CCCn2cncn2)CCO1 ZINC001604551180 1018400100 /nfs/dbraw/zinc/40/01/00/1018400100.db2.gz OMWWVDHPNPXTES-ZDUSSCGKSA-N -1 0 312.326 -0.613 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)N[C@H](C)[C@@H](C)OC)CCO1 ZINC001604549324 1018400128 /nfs/dbraw/zinc/40/01/28/1018400128.db2.gz DMQCPINXFRCNMU-GIPNMCIBSA-N -1 0 304.343 -0.079 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cc(F)c[nH]c2=O)CCO1 ZINC001604556335 1018400145 /nfs/dbraw/zinc/40/01/45/1018400145.db2.gz DHIFOQCRJCEOQH-CYBMUJFWSA-N -1 0 314.269 -0.132 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H]2CCc3c[nH]nc3C2)CCO1 ZINC001604549196 1018400216 /nfs/dbraw/zinc/40/02/16/1018400216.db2.gz BRSUZPUEPQBQAY-BONVTDFDSA-N -1 0 323.349 -0.157 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CC2CCS(=O)(=O)CC2)CCO1 ZINC001604556835 1018402612 /nfs/dbraw/zinc/40/26/12/1018402612.db2.gz BQWGITFEVZAJRJ-ZDUSSCGKSA-N -1 0 321.395 -0.387 20 0 DBADRM CC1(C)OC[C@@H]([C@@H]2CN(C(=O)NC[C@H](F)C(=O)[O-])CCO2)O1 ZINC001604562844 1018402726 /nfs/dbraw/zinc/40/27/26/1018402726.db2.gz YHKYOTMHCNGCNO-GUBZILKMSA-N -1 0 320.317 -0.029 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@@H]2C[C@H]3COC[C@@H]3O2)CCO1 ZINC001604557537 1018402965 /nfs/dbraw/zinc/40/29/65/1018402965.db2.gz HMWDGXZEHDBFNR-MNXVOIDGSA-N -1 0 301.339 -0.408 20 0 DBADRM COC[C@H]1CCN1C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001604566936 1018404508 /nfs/dbraw/zinc/40/45/08/1018404508.db2.gz DFZCJFHBUQUQOQ-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(Cc2nnn(C(C)(C)C)n2)CCO1 ZINC001604565335 1018404639 /nfs/dbraw/zinc/40/46/39/1018404639.db2.gz SZZYIPNCVHDLKA-CYBMUJFWSA-N -1 0 313.358 -0.270 20 0 DBADRM CC1(CC(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])COC1 ZINC001604568350 1018404850 /nfs/dbraw/zinc/40/48/50/1018404850.db2.gz BVRMVNQMYUJUEZ-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM C[C@]1(CC(=O)N2CC[C@@](F)(C(=O)[O-])C2)CCS(=O)(=O)N1 ZINC001604568588 1018405175 /nfs/dbraw/zinc/40/51/75/1018405175.db2.gz FPZKXCYIPITWEP-MNOVXSKESA-N -1 0 308.331 -0.517 20 0 DBADRM C[C@]1(C2CCN(c3cnc(C(=O)[O-])cn3)CC2)NC(=O)NC1=O ZINC001604569148 1018405294 /nfs/dbraw/zinc/40/52/94/1018405294.db2.gz QXVHRNPUEMOBKH-CQSZACIVSA-N -1 0 319.321 -0.011 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2CC[C@@H](C)F)CCO1 ZINC001604565445 1018405453 /nfs/dbraw/zinc/40/54/53/1018405453.db2.gz VHXJJRSHCLDFMZ-SKDRFNHKSA-N -1 0 317.321 -0.272 20 0 DBADRM COCC1(NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCC1 ZINC001604567091 1018405677 /nfs/dbraw/zinc/40/56/77/1018405677.db2.gz GKRDRAQXWICPGL-UHFFFAOYSA-N -1 0 310.310 -0.409 20 0 DBADRM CCc1nn(C)cc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001604578169 1018406508 /nfs/dbraw/zinc/40/65/08/1018406508.db2.gz LDISZFKDQKLEAH-UHFFFAOYSA-N -1 0 302.302 -0.607 20 0 DBADRM COCCN(CC(=O)NCC(=O)[O-])C[C@@H](O)C(F)(F)F ZINC001604583764 1018406874 /nfs/dbraw/zinc/40/68/74/1018406874.db2.gz BTEBNFGDGFDEDL-SSDOTTSWSA-N -1 0 302.249 -0.941 20 0 DBADRM C[C@@]1(CCCC(=O)NCCSCC(=O)[O-])NC(=O)NC1=O ZINC001604573081 1018407263 /nfs/dbraw/zinc/40/72/63/1018407263.db2.gz QIAMYNMPTBFMGI-LBPRGKRZSA-N -1 0 317.367 -0.311 20 0 DBADRM C[C@]1(CO)CCCN1C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001604583736 1018407055 /nfs/dbraw/zinc/40/70/55/1018407055.db2.gz ABMISLOGWBVTJM-MMDVMMEASA-N -1 0 310.350 -0.271 20 0 DBADRM C[C@]1(CCCC(=O)N2CC3CC2(C(=O)[O-])C3)NC(=O)NC1=O ZINC001604572391 1018407172 /nfs/dbraw/zinc/40/71/72/1018407172.db2.gz HEAQIKPHSRYPQH-FEUBCLPYSA-N -1 0 309.322 -0.170 20 0 DBADRM CC1(CO)CCN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001604583507 1018407188 /nfs/dbraw/zinc/40/71/88/1018407188.db2.gz XETXPYMDAAIBRH-LLVKDONJSA-N -1 0 310.350 -0.103 20 0 DBADRM C[C@@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001604583998 1018407433 /nfs/dbraw/zinc/40/74/33/1018407433.db2.gz DCCRLZIIYFPVNQ-JRPNMDOOSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1(F)F ZINC001604575983 1018407481 /nfs/dbraw/zinc/40/74/81/1018407481.db2.gz UNKDGDKBYYZVAE-YVZVNANGSA-N -1 0 320.292 -0.558 20 0 DBADRM COC[C@H]1COCCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604573321 1018407542 /nfs/dbraw/zinc/40/75/42/1018407542.db2.gz CVFKCZFGPISYQA-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@]1(CCCC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)NC(=O)NC1=O ZINC001604571893 1018407596 /nfs/dbraw/zinc/40/75/96/1018407596.db2.gz AELUBHODZUPYBC-CWOKWUPOSA-N -1 0 309.322 -0.456 20 0 DBADRM CC1(CCNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)OCCO1 ZINC001604572678 1018407638 /nfs/dbraw/zinc/40/76/38/1018407638.db2.gz LWQABNWUEYQEIV-UWVGGRQHSA-N -1 0 302.327 -0.384 20 0 DBADRM COCC[C@@](C)(O)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604573942 1018407715 /nfs/dbraw/zinc/40/77/15/1018407715.db2.gz ONUVDBZWPYNSNX-QMTHXVAHSA-N -1 0 316.354 -0.787 20 0 DBADRM CC1(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CCOCC1 ZINC001604582547 1018407756 /nfs/dbraw/zinc/40/77/56/1018407756.db2.gz GCOAPKMDWXRNJD-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])CCO[C@@H]1C1CC1 ZINC001604574907 1018408049 /nfs/dbraw/zinc/40/80/49/1018408049.db2.gz FLVOQXJMAPZSNG-RBZYPMLTSA-N -1 0 316.329 -0.153 20 0 DBADRM CC1(O)CCN(c2cc(N3CC[C@](O)(C(=O)[O-])C3)ncn2)CC1 ZINC001604595976 1018409206 /nfs/dbraw/zinc/40/92/06/1018409206.db2.gz XRTFDCHUVLHOIJ-OAHLLOKOSA-N -1 0 322.365 -0.146 20 0 DBADRM CC1(O)CCC(NC(=O)NCCn2cc(C(=O)[O-])nn2)CC1 ZINC001604596239 1018409228 /nfs/dbraw/zinc/40/92/28/1018409228.db2.gz MEXKRSLAYCRILG-UHFFFAOYSA-N -1 0 311.342 -0.031 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC001604596914 1018409880 /nfs/dbraw/zinc/40/98/80/1018409880.db2.gz VUXYDQYQKJBWHD-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N[C@H](C)CN1CCOCC1 ZINC001604596945 1018410049 /nfs/dbraw/zinc/41/00/49/1018410049.db2.gz WGQWFGITPWWETM-GFCCVEGCSA-N -1 0 317.386 -0.160 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C1(N2CCOCC2)CC1 ZINC001604597768 1018410261 /nfs/dbraw/zinc/41/02/61/1018410261.db2.gz MDSAPROYVLJKAQ-UHFFFAOYSA-N -1 0 300.355 -0.199 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccsn1 ZINC001500689749 1018411101 /nfs/dbraw/zinc/41/11/01/1018411101.db2.gz PZRSFKSSWXYFGT-GFCCVEGCSA-N -1 0 324.366 -0.666 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n([C@H]2COC(C)(C)C2)c1=O ZINC001604599617 1018411412 /nfs/dbraw/zinc/41/14/12/1018411412.db2.gz UXBXKWKCIDXYHL-MRVPVSSYSA-N -1 0 306.326 -0.050 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2CCCCO2)c1=O ZINC001604600610 1018411650 /nfs/dbraw/zinc/41/16/50/1018411650.db2.gz CSXUHIBQVKMRFN-SECBINFHSA-N -1 0 306.326 -0.221 20 0 DBADRM C[C@]12CN(S(=O)(=O)CCCC(=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC001604605642 1018411734 /nfs/dbraw/zinc/41/17/34/1018411734.db2.gz IVFXTYQLCDOHEP-VXGBXAGGSA-N -1 0 318.351 -0.834 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCCc2cnoc2)c1=O ZINC001604600746 1018411972 /nfs/dbraw/zinc/41/19/72/1018411972.db2.gz FMDOIFDQQHPCFT-UHFFFAOYSA-N -1 0 317.309 -0.169 20 0 DBADRM C[C@@]12COC[C@H]1CN(C(=O)NCCn1cc(C(=O)[O-])nn1)C2 ZINC001604607476 1018412349 /nfs/dbraw/zinc/41/23/49/1018412349.db2.gz YOPAMKXFIGXWIX-NOZJJQNGSA-N -1 0 309.326 -0.346 20 0 DBADRM C[C@@]12CN(C(=O)c3ccc(C(=O)[O-])[nH]3)C[C@@]1(C)C(=O)NC2=O ZINC001604605518 1018412575 /nfs/dbraw/zinc/41/25/75/1018412575.db2.gz HHEOOFJQGXXGRB-KBPBESRZSA-N -1 0 305.290 -0.162 20 0 DBADRM CC1=C(C(=O)NCC[C@H](O)C(=O)[O-])[C@@H](C)n2ncnc2N1C ZINC001604607785 1018412739 /nfs/dbraw/zinc/41/27/39/1018412739.db2.gz LZHPXPRAKNXAJX-BDAKNGLRSA-N -1 0 309.326 -0.485 20 0 DBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC001604611553 1018412972 /nfs/dbraw/zinc/41/29/72/1018412972.db2.gz GIGSVXZZVLGVRF-CYZMBNFOSA-N -1 0 315.366 -0.030 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001604621220 1018413919 /nfs/dbraw/zinc/41/39/19/1018413919.db2.gz TVCIZVSTUWMMLI-VIFPVBQESA-N -1 0 311.338 -0.654 20 0 DBADRM C[C@H]1C(=O)N(NC(=O)CCCn2ccc(C(=O)[O-])n2)C(=O)N1C ZINC001604620844 1018414129 /nfs/dbraw/zinc/41/41/29/1018414129.db2.gz CWGQDAHCLFFPTD-QMMMGPOBSA-N -1 0 323.309 -0.325 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1=O ZINC001604614753 1018414544 /nfs/dbraw/zinc/41/45/44/1018414544.db2.gz RIDQWFWORHEGJP-LLVKDONJSA-N -1 0 324.333 -0.216 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H](C)/C=C\C(=O)[O-] ZINC001604618754 1018415311 /nfs/dbraw/zinc/41/53/11/1018415311.db2.gz TVINSPWFUZWOCY-IQXGSHKSSA-N -1 0 301.324 -0.333 20 0 DBADRM COCCS(=O)(=O)CC(=O)Nc1ncccc1C(=O)[O-] ZINC001604628706 1018417032 /nfs/dbraw/zinc/41/70/32/1018417032.db2.gz GOWRJWKGRFIQMC-UHFFFAOYSA-N -1 0 302.308 -0.221 20 0 DBADRM COC[C@@H](O)CNC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001604639865 1018419352 /nfs/dbraw/zinc/41/93/52/1018419352.db2.gz WJZOBIAUDBYIDO-JXJNQWLDSA-N -1 0 316.354 -0.295 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCNc2ccnc(C(=O)[O-])n2)CCO1 ZINC001604647913 1018419963 /nfs/dbraw/zinc/41/99/63/1018419963.db2.gz APMCOXPDZGXZFZ-NXEZZACHSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001604647021 1018420676 /nfs/dbraw/zinc/42/06/76/1018420676.db2.gz JBLBPHCEBCSHJS-MRVPVSSYSA-N -1 0 315.351 -0.378 20 0 DBADRM C[C@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001604661708 1018422161 /nfs/dbraw/zinc/42/21/61/1018422161.db2.gz CAUZUTVWNAKJAK-YFKTTZPYSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H]1CC(CNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C[C@@H](C)C1 ZINC001604657240 1018422773 /nfs/dbraw/zinc/42/27/73/1018422773.db2.gz WOUUGCVNVYRPFH-UWVGGRQHSA-N -1 0 312.366 -0.167 20 0 DBADRM CON(C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)[C@@H](C)C(=O)[O-] ZINC001604651407 1018423166 /nfs/dbraw/zinc/42/31/66/1018423166.db2.gz QLSBEBFDCGKMMD-IUCAKERBSA-N -1 0 317.342 -0.744 20 0 DBADRM CON1CC[C@@H](n2cc(CN3CCC[C@H]3C(=O)[O-])nn2)C1=O ZINC001604661717 1018423250 /nfs/dbraw/zinc/42/32/50/1018423250.db2.gz OVWYVRYXRKVXGY-MNOVXSKESA-N -1 0 309.326 -0.338 20 0 DBADRM CON(C(=O)C1CCN(S(C)(=O)=O)CC1)[C@@H](C)C(=O)[O-] ZINC001604656476 1018423487 /nfs/dbraw/zinc/42/34/87/1018423487.db2.gz OCCWQSGANXIXDL-QMMMGPOBSA-N -1 0 308.356 -0.479 20 0 DBADRM C[C@H]1C[C@@H](C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)CO1 ZINC001604648354 1018423531 /nfs/dbraw/zinc/42/35/31/1018423531.db2.gz OAXBHTBYLJGNAQ-VHSXEESVSA-N -1 0 308.338 -0.108 20 0 DBADRM COCc1nc(C)c(C(=O)OCC(=O)NCC(=O)[O-])s1 ZINC001604648556 1018423568 /nfs/dbraw/zinc/42/35/68/1018423568.db2.gz IROHHCNPMVLAGO-UHFFFAOYSA-N -1 0 302.308 -0.044 20 0 DBADRM CON(C(=O)C1CCN(S(C)(=O)=O)CC1)[C@H](C)C(=O)[O-] ZINC001604656475 1018423807 /nfs/dbraw/zinc/42/38/07/1018423807.db2.gz OCCWQSGANXIXDL-MRVPVSSYSA-N -1 0 308.356 -0.479 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CS1 ZINC001604671976 1018425019 /nfs/dbraw/zinc/42/50/19/1018425019.db2.gz FSLJOIOHLFIRMC-BBBLOLIVSA-N -1 0 316.379 -0.301 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)C[C@@H](CO)C2)C[C@H]1C(=O)[O-] ZINC001604663191 1018425620 /nfs/dbraw/zinc/42/56/20/1018425620.db2.gz NCXZWBGORSFDJM-DDHJBXDOSA-N -1 0 312.366 -0.358 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C(N)=O)CCN1c1ncc(C(=O)[O-])cn1 ZINC001604671759 1018426079 /nfs/dbraw/zinc/42/60/79/1018426079.db2.gz DGIYMLFGDBZESW-IONNQARKSA-N -1 0 307.310 -0.866 20 0 DBADRM CON(C)C(=O)C1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC1 ZINC001604662550 1018426448 /nfs/dbraw/zinc/42/64/48/1018426448.db2.gz HETZDAONPQRJAU-CYBMUJFWSA-N -1 0 302.327 -0.266 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)[C@@H](C)O1 ZINC001604672227 1018427165 /nfs/dbraw/zinc/42/71/65/1018427165.db2.gz ILIQZQUSGZEAOO-APLZJWDSSA-N -1 0 314.338 -0.631 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CS1 ZINC001604672563 1018427179 /nfs/dbraw/zinc/42/71/79/1018427179.db2.gz ODZVMEMEGKLREN-XKNYDFJKSA-N -1 0 316.379 -0.303 20 0 DBADRM C[C@H]1C[C@H](NC(=O)NCCn2cc(C(=O)[O-])nn2)c2ncnn21 ZINC001604677259 1018427326 /nfs/dbraw/zinc/42/73/26/1018427326.db2.gz SIPXCVOXBMSDLV-YUMQZZPRSA-N -1 0 320.313 -0.427 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CCO1 ZINC001604673962 1018427501 /nfs/dbraw/zinc/42/75/01/1018427501.db2.gz ZLZZDBTTWMNOJS-DBIOUOCHSA-N -1 0 314.338 -0.629 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CS1 ZINC001604672556 1018427551 /nfs/dbraw/zinc/42/75/51/1018427551.db2.gz ODZVMEMEGKLREN-IMSYWVGJSA-N -1 0 316.379 -0.303 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CCO1 ZINC001604673975 1018427807 /nfs/dbraw/zinc/42/78/07/1018427807.db2.gz ZLZZDBTTWMNOJS-ZNSHCXBVSA-N -1 0 314.338 -0.629 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)NCCn2cc(C(=O)[O-])nn2)c2ncnn21 ZINC001604677255 1018428173 /nfs/dbraw/zinc/42/81/73/1018428173.db2.gz SIPXCVOXBMSDLV-HTQZYQBOSA-N -1 0 320.313 -0.427 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C(=O)O1 ZINC001604673235 1018428237 /nfs/dbraw/zinc/42/82/37/1018428237.db2.gz ULRXFHWFGXDWNU-OTPXZMOZSA-N -1 0 311.294 -0.295 20 0 DBADRM C[C@H]1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccn2)C(=O)O1 ZINC001604678327 1018428455 /nfs/dbraw/zinc/42/84/55/1018428455.db2.gz YQRNCJDIQUGQQZ-POYBYMJQSA-N -1 0 300.292 -0.238 20 0 DBADRM C[C@@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C(=O)N1c1cnn(C)c1 ZINC001604675887 1018428617 /nfs/dbraw/zinc/42/86/17/1018428617.db2.gz BFICLNSCQDZLPC-SCZZXKLOSA-N -1 0 316.321 -0.064 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CS1 ZINC001604672561 1018428642 /nfs/dbraw/zinc/42/86/42/1018428642.db2.gz ODZVMEMEGKLREN-QEYWKRMJSA-N -1 0 316.379 -0.303 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](N2C(=O)N[C@H](CCC(=O)[O-])C2=O)CC1=O ZINC001604689138 1018430139 /nfs/dbraw/zinc/43/01/39/1018430139.db2.gz UKXUXFNZOFKAGP-ZYUZMQFOSA-N -1 0 309.322 -0.219 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1=O ZINC001604689098 1018431413 /nfs/dbraw/zinc/43/14/13/1018431413.db2.gz UDZJKKMSHFDEBI-BNOQRQDOSA-N -1 0 307.350 -0.032 20 0 DBADRM COc1cc(C(=O)N2CC(C(=O)[O-])C2)sc1S(N)(=O)=O ZINC001604685345 1018431645 /nfs/dbraw/zinc/43/16/45/1018431645.db2.gz VFLVRABPEDYYIG-UHFFFAOYSA-N -1 0 320.348 -0.439 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)[nH]n1 ZINC001604721477 1018433053 /nfs/dbraw/zinc/43/30/53/1018433053.db2.gz BJTRODCEZSYRDJ-HTQZYQBOSA-N -1 0 310.310 -0.074 20 0 DBADRM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1Cc1nc(N)nc(N)n1 ZINC001604713566 1018433064 /nfs/dbraw/zinc/43/30/64/1018433064.db2.gz LJOLNFOMCYEZHK-XGEHTFHBSA-N -1 0 308.342 -0.369 20 0 DBADRM CC1CCC(NS(=O)(=O)CC(=O)N[C@H](CO)C(=O)[O-])CC1 ZINC001604706385 1018434240 /nfs/dbraw/zinc/43/42/40/1018434240.db2.gz NGIBJJFBXLEHCM-UDNWOFFPSA-N -1 0 322.383 -0.954 20 0 DBADRM COc1cc(C(N)=O)ccc1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC001604695261 1018434315 /nfs/dbraw/zinc/43/43/15/1018434315.db2.gz GRLBOENIQVDHQL-SSDOTTSWSA-N -1 0 323.305 -0.431 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](F)C2)C[C@@H](C(=O)[O-])O1 ZINC001604742234 1018435538 /nfs/dbraw/zinc/43/55/38/1018435538.db2.gz SGAOBSZTYOAFJO-ZNSHCXBVSA-N -1 0 316.329 -0.107 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)[C@@H]1CO ZINC001604739850 1018437375 /nfs/dbraw/zinc/43/73/75/1018437375.db2.gz HJWSRYUCVAYDJR-UEKVPHQBSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNc1ccnc(C(=O)[O-])n1 ZINC001604733634 1018437430 /nfs/dbraw/zinc/43/74/30/1018437430.db2.gz DKMJBBNQBFEVPE-RKDXNWHRSA-N -1 0 321.337 -0.879 20 0 DBADRM C[C@H]1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])[C@@H]1CO ZINC001604743713 1018438244 /nfs/dbraw/zinc/43/82/44/1018438244.db2.gz ARHBBWZKMDXFAL-VHSXEESVSA-N -1 0 301.343 -0.620 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)C1 ZINC001604757050 1018438560 /nfs/dbraw/zinc/43/85/60/1018438560.db2.gz CRFJLJUVIGINMC-LLVKDONJSA-N -1 0 305.400 -0.335 20 0 DBADRM C[C@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H](C(=O)[O-])C1 ZINC001604748595 1018438943 /nfs/dbraw/zinc/43/89/43/1018438943.db2.gz DVUIULKZZJETHL-GXSJLCMTSA-N -1 0 323.353 -0.308 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H](C(=O)[O-])C1 ZINC001604748597 1018440308 /nfs/dbraw/zinc/44/03/08/1018440308.db2.gz DVUIULKZZJETHL-MWLCHTKSSA-N -1 0 323.353 -0.308 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CCS1(=O)=O ZINC001604743678 1018440363 /nfs/dbraw/zinc/44/03/63/1018440363.db2.gz AEMRBZAAXMEZHG-VIFPVBQESA-N -1 0 315.351 -0.383 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC[S@@]1=O ZINC001604760475 1018441282 /nfs/dbraw/zinc/44/12/82/1018441282.db2.gz MCLJFASGIDJIBM-IIYDVTGLSA-N -1 0 321.380 -0.361 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001604761252 1018441300 /nfs/dbraw/zinc/44/13/00/1018441300.db2.gz TYZOHIJPGSJJDU-GZMMTYOYSA-N -1 0 319.317 -0.036 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001604761255 1018441644 /nfs/dbraw/zinc/44/16/44/1018441644.db2.gz TYZOHIJPGSJJDU-LDYMZIIASA-N -1 0 319.317 -0.036 20 0 DBADRM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001604766695 1018441952 /nfs/dbraw/zinc/44/19/52/1018441952.db2.gz LELPPGBKLMPPSN-YDEJPDAXSA-N -1 0 320.349 -0.123 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])C[C@@H](C)C1O ZINC001604768838 1018442360 /nfs/dbraw/zinc/44/23/60/1018442360.db2.gz PMAUTZLMDRLZEF-MXWKQRLJSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C[C@@H](CO)O1 ZINC001604768608 1018442486 /nfs/dbraw/zinc/44/24/86/1018442486.db2.gz FUWJTYWVODGDAK-KXNHARMFSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@@H](C)C1O ZINC001604769243 1018444690 /nfs/dbraw/zinc/44/46/90/1018444690.db2.gz SJWCCBXCJVXBFD-DBIOUOCHSA-N -1 0 312.366 -0.217 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C[C@@H](C)C1O ZINC001604770337 1018445039 /nfs/dbraw/zinc/44/50/39/1018445039.db2.gz SBEXCGPFWSYAMS-MXWKQRLJSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C2=CCS(=O)(=O)C2)CCN1CCC(=O)[O-] ZINC001604771827 1018445874 /nfs/dbraw/zinc/44/58/74/1018445874.db2.gz SPOBXFUZNRVNGO-SNVBAGLBSA-N -1 0 316.379 -0.651 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC[S@@](=O)C1 ZINC001604775016 1018446711 /nfs/dbraw/zinc/44/67/11/1018446711.db2.gz DLTKHIRYVRYPCI-OSSIZCQKSA-N -1 0 318.395 -0.114 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)O[C@H]1C(=O)[O-] ZINC001604779856 1018447299 /nfs/dbraw/zinc/44/72/99/1018447299.db2.gz SUHFBCPMPNBXEM-ZKKRXERASA-N -1 0 319.379 -0.101 20 0 DBADRM C[C@@H]1CN([C@H]2CCN(CCC(=O)[O-])C2=O)C[C@]2(CCOC2)O1 ZINC001604785257 1018447770 /nfs/dbraw/zinc/44/77/70/1018447770.db2.gz FYHIOSNNHAXGBT-XUJVJEKNSA-N -1 0 312.366 -0.058 20 0 DBADRM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001604779094 1018448041 /nfs/dbraw/zinc/44/80/41/1018448041.db2.gz ATFNLPOWKQVGOJ-QCNOEVLYSA-N -1 0 300.355 -0.468 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC[S@@](=O)C[C@H](C)C1)C(=O)[O-] ZINC001604786650 1018448491 /nfs/dbraw/zinc/44/84/91/1018448491.db2.gz WBKNYCNHHZTFGW-HTBQSJRVSA-N -1 0 304.412 -0.088 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)O[C@H]1C(=O)[O-] ZINC001604779854 1018448588 /nfs/dbraw/zinc/44/85/88/1018448588.db2.gz SUHFBCPMPNBXEM-ISUQUUIWSA-N -1 0 319.379 -0.101 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C[C@H](C)S1(=O)=O ZINC001604779118 1018448812 /nfs/dbraw/zinc/44/88/12/1018448812.db2.gz BJBBCXQJUDDZRP-RGOKHQFPSA-N -1 0 305.352 -0.347 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001604787251 1018448862 /nfs/dbraw/zinc/44/88/62/1018448862.db2.gz YJUOLYPFEHCTFD-NJBDSQKTSA-N -1 0 300.355 -0.156 20 0 DBADRM C[C@@H]1CN(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C(=O)[C@H]1C ZINC001604798618 1018453383 /nfs/dbraw/zinc/45/33/83/1018453383.db2.gz VXHHUENHCVCIMK-OUAUKWLOSA-N -1 0 318.395 -0.368 20 0 DBADRM C[C@@H]1CN(CCO)[C@@H](C)CN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001604802864 1018453417 /nfs/dbraw/zinc/45/34/17/1018453417.db2.gz OADPTVZZNHGPST-WDEREUQCSA-N -1 0 322.427 -0.186 20 0 DBADRM C[C@@H]1CN(CCNC(=O)Cn2ccc(C(=O)[O-])n2)[C@@H](C)CO1 ZINC001604796154 1018453977 /nfs/dbraw/zinc/45/39/77/1018453977.db2.gz NCLKMTIAYHFHKO-WDEREUQCSA-N -1 0 310.354 -0.193 20 0 DBADRM C[C@H]1CN(CCO)CCN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001604797974 1018454063 /nfs/dbraw/zinc/45/40/63/1018454063.db2.gz OTVLKPMACFTZLH-NSHDSACASA-N -1 0 322.365 -0.283 20 0 DBADRM C[C@@H]1CN(Cc2cn(CC(=O)[O-])nn2)C[C@@H](C)S1(=O)=O ZINC001604802243 1018454141 /nfs/dbraw/zinc/45/41/41/1018454141.db2.gz XHBTUVRBUALDFA-RKDXNWHRSA-N -1 0 302.356 -0.630 20 0 DBADRM C[C@H]1COCCN1CCNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001604819083 1018455543 /nfs/dbraw/zinc/45/55/43/1018455543.db2.gz AXNLAAUAQVVNEC-VIFPVBQESA-N -1 0 318.351 -0.023 20 0 DBADRM C[C@@H]1COC2(CCC2)CN1C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001604816700 1018456068 /nfs/dbraw/zinc/45/60/68/1018456068.db2.gz IBSPLMNUJRYXBO-GMTAPVOTSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@H]1COCC[C@@H]1NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604819817 1018456085 /nfs/dbraw/zinc/45/60/85/1018456085.db2.gz TWDXHJACWBDPCV-UWVGGRQHSA-N -1 0 301.343 -0.308 20 0 DBADRM C[C@H]1COCCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001604819669 1018457107 /nfs/dbraw/zinc/45/71/07/1018457107.db2.gz HSVKLNPZZLFXDU-OZWUEAAUSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001604823473 1018458421 /nfs/dbraw/zinc/45/84/21/1018458421.db2.gz QQAMUTCWNGOQOY-MRVPVSSYSA-N -1 0 301.324 -0.773 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccsc1-c1nn[nH]n1 ZINC001604826790 1018458607 /nfs/dbraw/zinc/45/86/07/1018458607.db2.gz KQOJGHNDHQNYAP-UHFFFAOYSA-N -1 0 307.295 -0.123 20 0 DBADRM C[C@H]1OCC[C@@H]1S(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001604834549 1018458973 /nfs/dbraw/zinc/45/89/73/1018458973.db2.gz LPBGOQGZPNUCAC-XCBNKYQSSA-N -1 0 316.339 -0.660 20 0 DBADRM C[C@H]1OCC[C@]12CN(C(=O)Cn1ccc(C(=O)[O-])n1)CCO2 ZINC001604832657 1018459287 /nfs/dbraw/zinc/45/92/87/1018459287.db2.gz DPVRNBOBEYIGTF-YGRLFVJLSA-N -1 0 309.322 -0.012 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001604836921 1018459380 /nfs/dbraw/zinc/45/93/80/1018459380.db2.gz YKYNPGFSKGYFGV-JOYOIKCWSA-N -1 0 307.368 -0.299 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)cc2CN1 ZINC001604827870 1018459662 /nfs/dbraw/zinc/45/96/62/1018459662.db2.gz NTPXTGRNYPWXNS-LNLATYFQSA-N -1 0 308.338 -0.311 20 0 DBADRM C[C@@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)c1c[nH]cn1 ZINC001604842107 1018460953 /nfs/dbraw/zinc/46/09/53/1018460953.db2.gz OBQCWYSRFGKOHD-CBAPKCEASA-N -1 0 312.351 -0.096 20 0 DBADRM C[C@H]1SCC[C@@H]1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001604842269 1018461723 /nfs/dbraw/zinc/46/17/23/1018461723.db2.gz QFEXEJRKEDDFRM-IMSYWVGJSA-N -1 0 316.379 -0.303 20 0 DBADRM C[C@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)C1CC(=O)C1 ZINC001604838406 1018461815 /nfs/dbraw/zinc/46/18/15/1018461815.db2.gz JWZGWNBVUPXUHB-XCBNKYQSSA-N -1 0 314.363 -0.154 20 0 DBADRM C[C@@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)CCC(N)=O ZINC001604839838 1018461854 /nfs/dbraw/zinc/46/18/54/1018461854.db2.gz ZRFUPNHPDJXBLK-YUMQZZPRSA-N -1 0 317.367 -0.867 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H]1O ZINC001604844350 1018462082 /nfs/dbraw/zinc/46/20/82/1018462082.db2.gz FLFSTUFGDDZXRB-UNLJNPQMSA-N -1 0 306.322 -0.193 20 0 DBADRM C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1ccnnc1 ZINC001604843212 1018462312 /nfs/dbraw/zinc/46/23/12/1018462312.db2.gz YHDWJMXETIGGNG-WCBMZHEXSA-N -1 0 324.362 -0.029 20 0 DBADRM C/C=C/C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)OCC ZINC001604853418 1018464294 /nfs/dbraw/zinc/46/42/94/1018464294.db2.gz YFQWGOBUYHVBGQ-HYYFJVDXSA-N -1 0 310.310 -0.010 20 0 DBADRM COc1ccc2ncc(C(=O)N[C@]3(C(=O)[O-])CCOC3)n2n1 ZINC001604850933 1018466048 /nfs/dbraw/zinc/46/60/48/1018466048.db2.gz DROUCHVDSUUEFT-CYBMUJFWSA-N -1 0 306.278 -0.289 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])C1 ZINC001604860608 1018467839 /nfs/dbraw/zinc/46/78/39/1018467839.db2.gz VCOYACAYVGWMDL-NHCYSSNCSA-N -1 0 313.354 -0.214 20 0 DBADRM CCC(=O)N[C@@H](CCSC)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001604859841 1018468001 /nfs/dbraw/zinc/46/80/01/1018468001.db2.gz OILLHYXSDSCMJY-QMMMGPOBSA-N -1 0 304.368 -0.708 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001604859035 1018468291 /nfs/dbraw/zinc/46/82/91/1018468291.db2.gz CSWJHCNZRHSVRQ-DCAQKATOSA-N -1 0 313.354 -0.526 20 0 DBADRM CCC(=O)N1CCN(C(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001604857424 1018469504 /nfs/dbraw/zinc/46/95/04/1018469504.db2.gz LDOKXQYQPOZQNC-UHFFFAOYSA-N -1 0 311.294 -0.072 20 0 DBADRM Cc1cncc(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001500810011 1018470702 /nfs/dbraw/zinc/47/07/02/1018470702.db2.gz PZHAWCIRBXOFDA-UHFFFAOYSA-N -1 0 318.337 -0.810 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC001604873014 1018471070 /nfs/dbraw/zinc/47/10/70/1018471070.db2.gz FGHLJITUDKLLFV-LPEHRKFASA-N -1 0 305.352 -0.488 20 0 DBADRM CC[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-])[C@H](C)O ZINC001604867696 1018471672 /nfs/dbraw/zinc/47/16/72/1018471672.db2.gz BDFYBARDVOWFJR-AEJSXWLSSA-N -1 0 307.368 -0.506 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001604868367 1018471977 /nfs/dbraw/zinc/47/19/77/1018471977.db2.gz IOIFXQISNRPQGO-HLTSFMKQSA-N -1 0 301.295 -0.482 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3cccnc3)C2)c1[O-] ZINC001500814518 1018474663 /nfs/dbraw/zinc/47/46/63/1018474663.db2.gz BXNBEICRDLDLPN-UHFFFAOYSA-N -1 0 317.349 -0.205 20 0 DBADRM CCC(C)(C)CNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001604896549 1018480952 /nfs/dbraw/zinc/48/09/52/1018480952.db2.gz ZASWSHFHRBSXIE-UWVGGRQHSA-N -1 0 300.355 -0.167 20 0 DBADRM CCC(C)(C)CNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001604896546 1018481321 /nfs/dbraw/zinc/48/13/21/1018481321.db2.gz ZASWSHFHRBSXIE-NXEZZACHSA-N -1 0 300.355 -0.167 20 0 DBADRM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC001604918026 1018484208 /nfs/dbraw/zinc/48/42/08/1018484208.db2.gz IAOCWMDOOKFYKE-AXFHLTTASA-N -1 0 300.355 -0.167 20 0 DBADRM COc1ncncc1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001604912131 1018485325 /nfs/dbraw/zinc/48/53/25/1018485325.db2.gz QNRHFUNCWHBKIR-VIFPVBQESA-N -1 0 301.324 -0.831 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001604921535 1018488681 /nfs/dbraw/zinc/48/86/81/1018488681.db2.gz RWHQHSURHQKZES-BBBLOLIVSA-N -1 0 319.383 -0.570 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001604927617 1018489271 /nfs/dbraw/zinc/48/92/71/1018489271.db2.gz OSZJOIZTGIACSO-GFCCVEGCSA-N -1 0 320.367 -0.840 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCO[C@@H](CC(N)=O)C1)C(=O)[O-] ZINC001604932677 1018491686 /nfs/dbraw/zinc/49/16/86/1018491686.db2.gz PAZCQHKYWUNPMB-OUJBWJOFSA-N -1 0 315.370 -0.822 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCO[C@H](CC(N)=O)C1)C(=O)[O-] ZINC001604932674 1018492496 /nfs/dbraw/zinc/49/24/96/1018492496.db2.gz PAZCQHKYWUNPMB-CWSCBRNRSA-N -1 0 315.370 -0.822 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)[O-] ZINC001604933640 1018493802 /nfs/dbraw/zinc/49/38/02/1018493802.db2.gz YDUIHIVLLQJGOG-YGOYTEALSA-N -1 0 314.338 -0.377 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCO[C@H]([C@H](C)O)C1)C(=O)[O-] ZINC001604932685 1018493842 /nfs/dbraw/zinc/49/38/42/1018493842.db2.gz PBSJEADBFOYNMZ-ZPFDUUQYSA-N -1 0 302.371 -0.317 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](OC)[C@@H](OC)C1)C(=O)[O-] ZINC001604931807 1018494059 /nfs/dbraw/zinc/49/40/59/1018494059.db2.gz KWTODGQMEAHJMW-KQXIARHKSA-N -1 0 302.371 -0.053 20 0 DBADRM C[S@](=O)C1(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1 ZINC001604944454 1018494905 /nfs/dbraw/zinc/49/49/05/1018494905.db2.gz WGTXBARDENEGAJ-MLCOAVLQSA-N -1 0 316.379 -0.360 20 0 DBADRM COC(=O)NCCNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001604950524 1018495217 /nfs/dbraw/zinc/49/52/17/1018495217.db2.gz DCUXCXZANNBGFW-UHFFFAOYSA-N -1 0 321.297 -0.638 20 0 DBADRM COC(=O)N1CCC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001604950318 1018497102 /nfs/dbraw/zinc/49/71/02/1018497102.db2.gz JNJBTYBEGLXWEP-QMMMGPOBSA-N -1 0 304.314 -0.279 20 0 DBADRM CO[C@@H](C(=O)Nc1c[nH]nc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001604996071 1018504087 /nfs/dbraw/zinc/50/40/87/1018504087.db2.gz SJLAIFNRBDOQST-SECBINFHSA-N -1 0 303.286 -0.351 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001605011695 1018504876 /nfs/dbraw/zinc/50/48/76/1018504876.db2.gz FWJZAYYQLPQMAC-RCWTZXSCSA-N -1 0 319.379 -0.194 20 0 DBADRM CO[C@](C)(CO)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001604999905 1018505704 /nfs/dbraw/zinc/50/57/04/1018505704.db2.gz LVRWWMDQKSEBRP-ZDUSSCGKSA-N -1 0 307.310 -0.301 20 0 DBADRM CO[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C1CC1 ZINC001605008566 1018506501 /nfs/dbraw/zinc/50/65/01/1018506501.db2.gz JQTBQNXDBBPTHV-ZETCQYMHSA-N -1 0 307.314 -0.497 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H]1COC(=O)N1)Nc1ccnc(C(=O)[O-])n1 ZINC001605026630 1018509166 /nfs/dbraw/zinc/50/91/66/1018509166.db2.gz FNAMSAPQFYPISC-YUMQZZPRSA-N -1 0 323.309 -0.988 20 0 DBADRM CC[C@@H](CNC(=O)Cn1cccc(C(=O)[O-])c1=O)C(=O)OC ZINC001605032074 1018509355 /nfs/dbraw/zinc/50/93/55/1018509355.db2.gz BCADPWGSDMFJSL-VIFPVBQESA-N -1 0 310.306 -0.138 20 0 DBADRM CC[C@H](CN1CCOCC1)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001605024000 1018509854 /nfs/dbraw/zinc/50/98/54/1018509854.db2.gz DBYDNAAQVGAKSB-LLVKDONJSA-N -1 0 310.354 -0.192 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001605021240 1018510722 /nfs/dbraw/zinc/51/07/22/1018510722.db2.gz VHHTUAFRPGSBDY-PELKAZGASA-N -1 0 304.368 -0.363 20 0 DBADRM CC[C@H](CNC(=O)c1ccn[nH]1)Nc1ccnc(C(=O)[O-])n1 ZINC001605037430 1018511631 /nfs/dbraw/zinc/51/16/31/1018511631.db2.gz JKUIHWHOEHVKCP-MRVPVSSYSA-N -1 0 304.310 -0.060 20 0 DBADRM CC[C@@H](CNC(=O)c1ccn[nH]1)Nc1ccnc(C(=O)[O-])n1 ZINC001605037439 1018512457 /nfs/dbraw/zinc/51/24/57/1018512457.db2.gz JKUIHWHOEHVKCP-QMMMGPOBSA-N -1 0 304.310 -0.060 20 0 DBADRM CC[C@H](CNC(=O)c1cnn(C)n1)Nc1ccnc(C(=O)[O-])n1 ZINC001605039002 1018512696 /nfs/dbraw/zinc/51/26/96/1018512696.db2.gz DHVVSXWVFSQLAX-MRVPVSSYSA-N -1 0 319.325 -0.654 20 0 DBADRM CC[C@H](CNC(=O)Nc1ccc(=O)n(CC(N)=O)c1)C(=O)[O-] ZINC001605035321 1018512894 /nfs/dbraw/zinc/51/28/94/1018512894.db2.gz XVFIRDIZBRMUBW-MRVPVSSYSA-N -1 0 310.310 -0.434 20 0 DBADRM CC[C@H](CO)C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001605043491 1018516369 /nfs/dbraw/zinc/51/63/69/1018516369.db2.gz VDJKHLUZKIDSSM-SECBINFHSA-N -1 0 307.368 -0.457 20 0 DBADRM CC[C@](COC)(NC(=O)Cn1c(C)cc(O)cc1=O)C(=O)[O-] ZINC001605050844 1018518191 /nfs/dbraw/zinc/51/81/91/1018518191.db2.gz ZRSQSCFVYLMEQT-CQSZACIVSA-N -1 0 312.322 -0.142 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(=O)OC ZINC001605049135 1018518362 /nfs/dbraw/zinc/51/83/62/1018518362.db2.gz LJTHFXPTYJTGBP-ZDMBXUJBSA-N -1 0 303.311 -0.297 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H](CO)Nc1ncc(C(=O)[O-])cn1 ZINC001605068678 1018519595 /nfs/dbraw/zinc/51/95/95/1018519595.db2.gz LICYNASRZBAGHB-BDAKNGLRSA-N -1 0 300.290 -0.188 20 0 DBADRM C[C@H]1COCCN1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605063249 1018520581 /nfs/dbraw/zinc/52/05/81/1018520581.db2.gz PIMUXRJVUXVBHR-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM COCC1(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001605067018 1018520919 /nfs/dbraw/zinc/52/09/19/1018520919.db2.gz YVNHALLNKHMOHW-MRVPVSSYSA-N -1 0 306.330 -0.438 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001605069347 1018522019 /nfs/dbraw/zinc/52/20/19/1018522019.db2.gz YLWRHHAYWGRNRQ-HTQZYQBOSA-N -1 0 300.290 -0.766 20 0 DBADRM CC[C@H](NC(=O)NC/C=C(\C)C(=O)[O-])C(=O)N1CCOCC1 ZINC001605077885 1018523099 /nfs/dbraw/zinc/52/30/99/1018523099.db2.gz WECJEOJJPYBCKX-INJWIWPUSA-N -1 0 313.354 -0.046 20 0 DBADRM COCC[C@@H](C)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001605078257 1018525204 /nfs/dbraw/zinc/52/52/04/1018525204.db2.gz CXYFDIHPGMYGLM-BDAKNGLRSA-N -1 0 308.346 -0.192 20 0 DBADRM CC[C@H](NC(=O)NC[C@@H]1C[C@@H]1C(=O)[O-])C(=O)N1CCOCC1 ZINC001605077074 1018525888 /nfs/dbraw/zinc/52/58/88/1018525888.db2.gz VCDMRDSQIDLFED-DCAQKATOSA-N -1 0 313.354 -0.356 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001605090191 1018527788 /nfs/dbraw/zinc/52/77/88/1018527788.db2.gz UZRMPLFYNSLPMV-VHSXEESVSA-N -1 0 320.367 -0.999 20 0 DBADRM CC[C@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(=O)NC ZINC001605104931 1018528801 /nfs/dbraw/zinc/52/88/01/1018528801.db2.gz LZDJQHWQPLFJAB-YFKPBYRVSA-N -1 0 307.353 -0.356 20 0 DBADRM COCCNC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605106041 1018529513 /nfs/dbraw/zinc/52/95/13/1018529513.db2.gz KGHFQYXWFZETEU-ZETCQYMHSA-N -1 0 309.282 -0.232 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)O[C@@H](C)C(=O)C(=O)[O-])C1=O ZINC001605136154 1018534706 /nfs/dbraw/zinc/53/47/06/1018534706.db2.gz XRURYVZRCGJXEG-PWCHPLFNSA-N -1 0 300.267 -0.708 20 0 DBADRM CCC1(C(=O)NCCN(CCO)C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001605133150 1018534797 /nfs/dbraw/zinc/53/47/97/1018534797.db2.gz IXGGMQFFTWIFBB-WDEREUQCSA-N -1 0 312.366 -0.166 20 0 DBADRM CCC1(CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])COC1 ZINC001605142446 1018534841 /nfs/dbraw/zinc/53/48/41/1018534841.db2.gz MBOWGZDZRLAVPE-IUCAKERBSA-N -1 0 301.343 -0.310 20 0 DBADRM Cc1cc(C(=O)[O-])cc(C(=O)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)c1 ZINC001605131312 1018534895 /nfs/dbraw/zinc/53/48/95/1018534895.db2.gz HZQIKDAVGNNZKN-PHIMTYICSA-N -1 0 319.317 -0.648 20 0 DBADRM CON(C)C(=O)Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCC2 ZINC001605141702 1018537519 /nfs/dbraw/zinc/53/75/19/1018537519.db2.gz UGZYRHBOWQMATH-UHFFFAOYSA-N -1 0 304.310 -0.463 20 0 DBADRM CC[C@@]1(O)CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC001605150121 1018538386 /nfs/dbraw/zinc/53/83/86/1018538386.db2.gz VWJWGIHOPSOPAZ-LLVKDONJSA-N -1 0 303.340 -0.048 20 0 DBADRM CCC1(Nc2ncc(C(=O)[O-])cn2)CCN(C(=O)C(N)=O)CC1 ZINC001605148812 1018539122 /nfs/dbraw/zinc/53/91/22/1018539122.db2.gz RTQOODPLIFYFOZ-UHFFFAOYSA-N -1 0 321.337 -0.157 20 0 DBADRM Cc1cc(C2(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)CC2)on1 ZINC001605164161 1018541906 /nfs/dbraw/zinc/54/19/06/1018541906.db2.gz NDFABWAVRMYRDM-UHFFFAOYSA-N -1 0 307.306 -0.230 20 0 DBADRM Cc1cc(Cl)cnc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001605173774 1018541960 /nfs/dbraw/zinc/54/19/60/1018541960.db2.gz RSCNESCJTQQVCT-LBPRGKRZSA-N -1 0 315.713 -0.066 20 0 DBADRM CC[C@H]1CN(C(=O)NCCOCC(=O)[O-])C[C@H](C)S1(=O)=O ZINC001605171062 1018542667 /nfs/dbraw/zinc/54/26/67/1018542667.db2.gz QWLLGGBSEKEDRU-UWVGGRQHSA-N -1 0 322.383 -0.305 20 0 DBADRM Cc1cc(CNC(=O)NCCC(=O)[O-])ccc1S(N)(=O)=O ZINC001605172467 1018542854 /nfs/dbraw/zinc/54/28/54/1018542854.db2.gz JMJDCPCVGWMBKL-UHFFFAOYSA-N -1 0 315.351 -0.084 20 0 DBADRM Cc1cc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)[nH]n1 ZINC001605173269 1018543120 /nfs/dbraw/zinc/54/31/20/1018543120.db2.gz WGQDVKLWCQIAFV-UHFFFAOYSA-N -1 0 324.337 -0.668 20 0 DBADRM CCCC(=O)N1CCC[C@@H](C(=O)N[C@@](C)(CO)C(=O)[O-])C1 ZINC001605188770 1018543946 /nfs/dbraw/zinc/54/39/46/1018543946.db2.gz WGOHPYSSHAVHPB-YGRLFVJLSA-N -1 0 300.355 -0.023 20 0 DBADRM CCC[C@@](C)(NS(=O)(=O)C[C@H]1CN(C)CCO1)C(=O)[O-] ZINC001605199478 1018545359 /nfs/dbraw/zinc/54/53/59/1018545359.db2.gz ROMCKHIRUBCNRB-ZYHUDNBSSA-N -1 0 308.400 -0.120 20 0 DBADRM CCC[C@@H](C(=O)N1CCSC[C@H]1C(=O)[O-])S(N)(=O)=O ZINC001605192407 1018546302 /nfs/dbraw/zinc/54/63/02/1018546302.db2.gz MEBYCPGLLYFOEV-YUMQZZPRSA-N -1 0 310.397 -0.528 20 0 DBADRM CCCC(=O)N1CSC[C@H]1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001605191263 1018547879 /nfs/dbraw/zinc/54/78/79/1018547879.db2.gz YHECHUQNQRFNCJ-QMMMGPOBSA-N -1 0 302.352 -0.654 20 0 DBADRM CCCC[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)C(N)=O ZINC001605237622 1018548910 /nfs/dbraw/zinc/54/89/10/1018548910.db2.gz IHOSFPXYXDDACW-QMMMGPOBSA-N -1 0 309.326 -0.831 20 0 DBADRM CCC[C@]1(CO)CCCN1C(=O)C(=O)NC[C@@H]1C[C@@H]1C(=O)[O-] ZINC001605224526 1018549641 /nfs/dbraw/zinc/54/96/41/1018549641.db2.gz LDHCGJVQOWYHLS-ZIBATOQPSA-N -1 0 312.366 -0.023 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001605245894 1018550625 /nfs/dbraw/zinc/55/06/25/1018550625.db2.gz MWXMBLHAKAHLLQ-NOZJJQNGSA-N -1 0 301.343 -0.037 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCOCCOCC(=O)[O-])o1 ZINC001605306366 1018552392 /nfs/dbraw/zinc/55/23/92/1018552392.db2.gz IYAYFVMTKHFWLT-UHFFFAOYSA-N -1 0 307.324 -0.016 20 0 DBADRM CCCCOCCNC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001605285458 1018553181 /nfs/dbraw/zinc/55/31/81/1018553181.db2.gz SIFIUPDRPZIFEV-GHMZBOCLSA-N -1 0 316.354 -0.380 20 0 DBADRM Cc1ccc(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)nc1 ZINC001605270824 1018553254 /nfs/dbraw/zinc/55/32/54/1018553254.db2.gz JGUJYVJAXXKLSM-GFCCVEGCSA-N -1 0 321.333 -0.639 20 0 DBADRM Cc1ccc(NC(=O)NC[C@](C)(O)C(=O)[O-])cc1-n1cnnn1 ZINC001605289160 1018554073 /nfs/dbraw/zinc/55/40/73/1018554073.db2.gz QPRYJMDRRKTQKR-ZDUSSCGKSA-N -1 0 320.309 -0.072 20 0 DBADRM CCCN1C[C@H](CNS(=O)(=O)C[C@@H](C)C(=O)[O-])CC1=O ZINC001605321045 1018556736 /nfs/dbraw/zinc/55/67/36/1018556736.db2.gz ANLSJOLZNKWIAW-ZJUUUORDSA-N -1 0 306.384 -0.115 20 0 DBADRM COc1cncc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC001605341671 1018557297 /nfs/dbraw/zinc/55/72/97/1018557297.db2.gz AHSJQZSZSJXUND-UHFFFAOYSA-N -1 0 301.270 -0.500 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001605345729 1018557948 /nfs/dbraw/zinc/55/79/48/1018557948.db2.gz OWLOEOZVYRKFDK-LBPRGKRZSA-N -1 0 317.367 -0.333 20 0 DBADRM Cc1cccc(CN(C)C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC001605335176 1018558372 /nfs/dbraw/zinc/55/83/72/1018558372.db2.gz BPSXYPSIADJEBK-GFCCVEGCSA-N -1 0 321.333 -0.340 20 0 DBADRM CCCNC(=O)CCC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001605326438 1018558386 /nfs/dbraw/zinc/55/83/86/1018558386.db2.gz FMCLXSXFNFVZTE-UWVGGRQHSA-N -1 0 314.338 -0.375 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001605320414 1018559020 /nfs/dbraw/zinc/55/90/20/1018559020.db2.gz LYEXQCOAXAXNHA-PGUXBMHVSA-N -1 0 308.334 -0.113 20 0 DBADRM CCC[C@@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-] ZINC001605354803 1018560334 /nfs/dbraw/zinc/56/03/34/1018560334.db2.gz UGZNTDUUMOXLAY-LLVKDONJSA-N -1 0 308.400 -0.119 20 0 DBADRM COc1nn(C)cc1NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001605352653 1018560539 /nfs/dbraw/zinc/56/05/39/1018560539.db2.gz UBVUGYKNFQILDY-LURJTMIESA-N -1 0 318.301 -0.600 20 0 DBADRM CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001605353113 1018561160 /nfs/dbraw/zinc/56/11/60/1018561160.db2.gz ZPADLVIUUIDIRX-DTWKUNHWSA-N -1 0 323.382 -0.154 20 0 DBADRM Cc1ccn(CC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001605360301 1018567793 /nfs/dbraw/zinc/56/77/93/1018567793.db2.gz VYQCNDCGANKIOQ-NSHDSACASA-N -1 0 308.338 -0.227 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)N2CC[C@H](O)C2)cc1-c1nnn[n-]1 ZINC001605379829 1018571468 /nfs/dbraw/zinc/57/14/68/1018571468.db2.gz AQMPIAYWWWPARI-LURJTMIESA-N -1 0 322.350 -0.104 20 0 DBADRM Cc1nc(C(=O)NC2(C(=O)[O-])CCOCC2)nn1-c1nc[nH]n1 ZINC001605398415 1018571999 /nfs/dbraw/zinc/57/19/99/1018571999.db2.gz PBHPLMHIIJRBOV-UHFFFAOYSA-N -1 0 321.297 -0.943 20 0 DBADRM Cc1nc(SCC(=O)N[C@@H](C(=O)[O-])c2ccnn2C)n[nH]1 ZINC001605388293 1018572810 /nfs/dbraw/zinc/57/28/10/1018572810.db2.gz LHZLJLTYBJQDGP-SECBINFHSA-N -1 0 310.339 -0.119 20 0 DBADRM CCN(C(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-])[C@H]1CCNC1=O ZINC001605391220 1018572901 /nfs/dbraw/zinc/57/29/01/1018572901.db2.gz KYVMNOHSDTXYQA-VIFPVBQESA-N -1 0 322.321 -0.303 20 0 DBADRM CCCn1ncnc1CN1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605390812 1018572916 /nfs/dbraw/zinc/57/29/16/1018572916.db2.gz MGFSNAKUOXVOEC-RYUDHWBXSA-N -1 0 321.381 -0.043 20 0 DBADRM Cc1n[nH]cc1CNC(=O)NCCOCCOCC(=O)[O-] ZINC001605394425 1018573280 /nfs/dbraw/zinc/57/32/80/1018573280.db2.gz MUEUURVGNUUSET-UHFFFAOYSA-N -1 0 300.315 -0.365 20 0 DBADRM Cc1nc(CN2CCN([C@H]3CCN(CC(=O)[O-])C3=O)CC2)no1 ZINC001605403406 1018573658 /nfs/dbraw/zinc/57/36/58/1018573658.db2.gz HWHRBHOQNVSPMJ-NSHDSACASA-N -1 0 323.353 -0.819 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001605405922 1018574296 /nfs/dbraw/zinc/57/42/96/1018574296.db2.gz JBLMVKIVWVDHGA-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM Cc1nc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)sc1C(N)=O ZINC001605403151 1018575066 /nfs/dbraw/zinc/57/50/66/1018575066.db2.gz HAEVQHKINLUZQY-LURJTMIESA-N -1 0 312.307 -0.604 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)nn1C ZINC001605408997 1018575904 /nfs/dbraw/zinc/57/59/04/1018575904.db2.gz YQFHLKVLSOPZML-VIFPVBQESA-N -1 0 309.326 -0.225 20 0 DBADRM CCN(C)C(=O)[C@H](C)N1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001605405779 1018576853 /nfs/dbraw/zinc/57/68/53/1018576853.db2.gz BJWRNPIYNUJKBR-LPEHRKFASA-N -1 0 311.338 -0.019 20 0 DBADRM Cc1nccnc1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605424170 1018578138 /nfs/dbraw/zinc/57/81/38/1018578138.db2.gz NMRFETZKUHSAOT-JTQLQIEISA-N -1 0 306.322 -0.019 20 0 DBADRM CCN(CC(=O)OC)C(=O)/C=C(/C)C(=O)N(CC)CC(=O)[O-] ZINC001605417536 1018578271 /nfs/dbraw/zinc/57/82/71/1018578271.db2.gz YTMRPOHLGQCQNC-YFHOEESVSA-N -1 0 314.338 -0.113 20 0 DBADRM Cc1nccc(N2CCN(C(=O)[C@@H]3CC(C(=O)[O-])=NO3)CC2)n1 ZINC001605425356 1018579003 /nfs/dbraw/zinc/57/90/03/1018579003.db2.gz WVWXVWSJBFGAAP-NSHDSACASA-N -1 0 319.321 -0.337 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001605432425 1018581247 /nfs/dbraw/zinc/58/12/47/1018581247.db2.gz GWNIPYWYJRBQLC-GFCCVEGCSA-N -1 0 322.383 -0.735 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1C ZINC001605435875 1018582396 /nfs/dbraw/zinc/58/23/96/1018582396.db2.gz HDHWDDNOFYCTED-IWSPIJDZSA-N -1 0 302.342 -0.349 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](O)CNC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001605433744 1018583188 /nfs/dbraw/zinc/58/31/88/1018583188.db2.gz DVTZUKNQSMRRAM-SNVBAGLBSA-N -1 0 307.310 -0.078 20 0 DBADRM CCN(CCNc1ccc2nnnn2n1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001605447998 1018585233 /nfs/dbraw/zinc/58/52/33/1018585233.db2.gz PCQCUMRYOJFTAB-IUCAKERBSA-N -1 0 319.325 -0.500 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)n1C ZINC001605441350 1018585975 /nfs/dbraw/zinc/58/59/75/1018585975.db2.gz UQYVQVRAPHSFGI-PSASIEDQSA-N -1 0 323.353 -0.691 20 0 DBADRM CCN(CCCNC(=O)c1cn[nH]n1)c1ccnc(C(=O)[O-])n1 ZINC001605447110 1018586550 /nfs/dbraw/zinc/58/65/50/1018586550.db2.gz YBAOYLNVAYDZAP-UHFFFAOYSA-N -1 0 319.325 -0.061 20 0 DBADRM CCN(CCNc1ccnc(C(=O)[O-])n1)C(=O)[C@@H]1COCCO1 ZINC001605447851 1018586810 /nfs/dbraw/zinc/58/68/10/1018586810.db2.gz LIILJSVZBCZWBB-JTQLQIEISA-N -1 0 324.337 -0.728 20 0 DBADRM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H](C)CC(N)=O ZINC001605447702 1018586906 /nfs/dbraw/zinc/58/69/06/1018586906.db2.gz FPTCWBRCEVYGDO-SECBINFHSA-N -1 0 323.353 -0.053 20 0 DBADRM Cc1nn(CCS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])c(=O)o1 ZINC001605440468 1018587272 /nfs/dbraw/zinc/58/72/72/1018587272.db2.gz DVNHEWGLCZBLLK-VXNVDRBHSA-N -1 0 319.339 -0.588 20 0 DBADRM CCN(CCSC)C(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001605453612 1018588769 /nfs/dbraw/zinc/58/87/69/1018588769.db2.gz WCCSGFZBUGXFTH-ZDUSSCGKSA-N -1 0 318.395 -0.100 20 0 DBADRM Cc1occc1C(=O)NCC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001605459972 1018589148 /nfs/dbraw/zinc/58/91/48/1018589148.db2.gz XDHNOESSGDSILB-BONVTDFDSA-N -1 0 322.317 -0.123 20 0 DBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)OCC(N)=O ZINC001605456311 1018590757 /nfs/dbraw/zinc/59/07/57/1018590757.db2.gz AFAABKALEMGAKG-UHFFFAOYSA-N -1 0 320.309 -0.455 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)CC1=O ZINC001605470266 1018592591 /nfs/dbraw/zinc/59/25/91/1018592591.db2.gz ABYKNKBCVQNOLY-VHSXEESVSA-N -1 0 304.368 -0.220 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(C[C@H](O)CCC(C)C)c(=O)n1C ZINC001605462824 1018593689 /nfs/dbraw/zinc/59/36/89/1018593689.db2.gz JZGWDPHLMHYTKF-SNVBAGLBSA-N -1 0 322.369 -0.167 20 0 DBADRM Cn1c(CN2CCC(CO)CC2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001605466406 1018594782 /nfs/dbraw/zinc/59/47/82/1018594782.db2.gz HYKPSKNSMUGYLX-LBPRGKRZSA-N -1 0 323.397 -0.070 20 0 DBADRM CCN1CCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)CC1 ZINC001605479272 1018597280 /nfs/dbraw/zinc/59/72/80/1018597280.db2.gz ZYNITIJHQAOKDX-LBPRGKRZSA-N -1 0 311.382 -0.232 20 0 DBADRM CCN1CC[C@@H](NC(=O)COCc2ocnc2C(=O)[O-])C1=O ZINC001605472407 1018598951 /nfs/dbraw/zinc/59/89/51/1018598951.db2.gz OAUIYJSNSDLDQT-MRVPVSSYSA-N -1 0 311.294 -0.374 20 0 DBADRM CCN1CCO[C@H](C(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)C1 ZINC001605483010 1018599818 /nfs/dbraw/zinc/59/98/18/1018599818.db2.gz VIYZYVWOEWTXTB-AXFHLTTASA-N -1 0 314.338 -0.961 20 0 DBADRM CCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)CC1=O ZINC001605481761 1018600021 /nfs/dbraw/zinc/60/00/21/1018600021.db2.gz IXNMZHYFOCDGGA-UHFFFAOYSA-N -1 0 313.335 -0.367 20 0 DBADRM CCN1CCN(CC(=O)NCc2ccoc2C(=O)[O-])C(=O)C1=O ZINC001605482321 1018600289 /nfs/dbraw/zinc/60/02/89/1018600289.db2.gz QNSGMKBOWBUOTP-UHFFFAOYSA-N -1 0 323.305 -0.715 20 0 DBADRM CCN1CCN(c2nnnn2[C@H]2CC=C(C(=O)[O-])C2)CC1=O ZINC001605483046 1018600388 /nfs/dbraw/zinc/60/03/88/1018600388.db2.gz WZDVXUUDYWKSLD-JTQLQIEISA-N -1 0 306.326 -0.313 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3nnc(CO)n3C)C2)cn1 ZINC001605488289 1018601583 /nfs/dbraw/zinc/60/15/83/1018601583.db2.gz GISBSRYKRIXWSK-NXEZZACHSA-N -1 0 320.353 -0.264 20 0 DBADRM CCN1OC[C@H](N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)C1=O ZINC001605485323 1018601602 /nfs/dbraw/zinc/60/16/02/1018601602.db2.gz GJSXILGPIPEXMX-FZMZJTMJSA-N -1 0 313.354 -0.990 20 0 DBADRM CCNC(=O)CC(=O)N(C)CCNc1ncc(C(=O)[O-])cn1 ZINC001605489052 1018602353 /nfs/dbraw/zinc/60/23/53/1018602353.db2.gz BJJBVQQIINZRDL-UHFFFAOYSA-N -1 0 309.326 -0.429 20 0 DBADRM Cn1cc([C@]2(CNC(=O)[C@H]3CC(C(=O)[O-])=NO3)CCCO2)cn1 ZINC001605483642 1018602459 /nfs/dbraw/zinc/60/24/59/1018602459.db2.gz LJNAJEWLELJWSW-BXUZGUMPSA-N -1 0 322.321 -0.229 20 0 DBADRM CCN1CCN(Cn2nc(C(=O)OC)cc2C(=O)[O-])CC1=O ZINC001605482474 1018602648 /nfs/dbraw/zinc/60/26/48/1018602648.db2.gz XHFNFWGTBZKLBC-UHFFFAOYSA-N -1 0 310.310 -0.511 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3cn[nH]n3)C2)cn1 ZINC001605489362 1018603533 /nfs/dbraw/zinc/60/35/33/1018603533.db2.gz DYHDHHVTYNXULP-RKDXNWHRSA-N -1 0 304.310 -0.131 20 0 DBADRM CCNC(=O)CCC(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001605490326 1018603605 /nfs/dbraw/zinc/60/36/05/1018603605.db2.gz SYDZEYOHEAVBMZ-UHFFFAOYSA-N -1 0 309.326 -0.959 20 0 DBADRM CCNC(=O)CCCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001605492819 1018604128 /nfs/dbraw/zinc/60/41/28/1018604128.db2.gz CYQYQAQHEAMHJX-JTQLQIEISA-N -1 0 313.354 -0.515 20 0 DBADRM CCNC(=O)CC(=O)NC[C@@H](CC)Nc1ccnc(C(=O)[O-])n1 ZINC001605490108 1018605120 /nfs/dbraw/zinc/60/51/20/1018605120.db2.gz QCUQVVUIWRQSBI-SECBINFHSA-N -1 0 323.353 -0.570 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC(=O)N[C@H](C)C1 ZINC001605506688 1018606406 /nfs/dbraw/zinc/60/64/06/1018606406.db2.gz LUAWXYIMHBFRIB-SSDOTTSWSA-N -1 0 317.309 -0.764 20 0 DBADRM Cn1ccc(NC(=O)c2cccn(CC(=O)[O-])c2=O)cc1=O ZINC001605505959 1018608249 /nfs/dbraw/zinc/60/82/49/1018608249.db2.gz VMUBCDAKTKZWPG-UHFFFAOYSA-N -1 0 303.274 -0.116 20 0 DBADRM CCOC(=O)[C@@](C)(O)CNC(=O)Nc1c(C(=O)[O-])cnn1C ZINC001605506982 1018608468 /nfs/dbraw/zinc/60/84/68/1018608468.db2.gz CEGSQEZERYRHDS-LBPRGKRZSA-N -1 0 314.298 -0.446 20 0 DBADRM CCOC(=O)[C@](C)(O)CNC(=O)Nc1c(C(=O)[O-])cnn1C ZINC001605506954 1018608507 /nfs/dbraw/zinc/60/85/07/1018608507.db2.gz CEGSQEZERYRHDS-GFCCVEGCSA-N -1 0 314.298 -0.446 20 0 DBADRM Cn1cc(N2CCN(Cc3c(C(=O)[O-])cnn3C)CC2=O)cn1 ZINC001605502072 1018608571 /nfs/dbraw/zinc/60/85/71/1018608571.db2.gz VWRKUSVZBMEPGC-UHFFFAOYSA-N -1 0 318.337 -0.299 20 0 DBADRM CCOC(=O)C(=O)N1CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC001605504106 1018608696 /nfs/dbraw/zinc/60/86/96/1018608696.db2.gz UTVTXZNPSQIUPT-UHFFFAOYSA-N -1 0 308.294 -0.614 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N1CC[C@@](OC)(C(=O)[O-])C1)C(C)=O ZINC001605509807 1018610215 /nfs/dbraw/zinc/61/02/15/1018610215.db2.gz VDSNWBVCGFFWHA-YGRLFVJLSA-N -1 0 315.322 -0.153 20 0 DBADRM Cn1ccnc1[C@@H]1C[C@@H](NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001605512629 1018610866 /nfs/dbraw/zinc/61/08/66/1018610866.db2.gz YCNMOVZCQXYVIE-INTQDDNPSA-N -1 0 322.321 -0.014 20 0 DBADRM CCOC(=O)[C@]1(C)CN(CN2C[C@H](C(=O)[O-])CC2=O)CCO1 ZINC001605518039 1018610922 /nfs/dbraw/zinc/61/09/22/1018610922.db2.gz WCRGFKANHUQINJ-YGRLFVJLSA-N -1 0 314.338 -0.469 20 0 DBADRM CCOC(=O)C1(C(=O)O[C@H](C)C(=O)C(=O)[O-])CCOCC1 ZINC001605515187 1018611513 /nfs/dbraw/zinc/61/15/13/1018611513.db2.gz LVBAITHZPCXWSV-MRVPVSSYSA-N -1 0 302.279 -0.068 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)n(Cc2nc(N(C)C)no2)c1 ZINC001605510860 1018611636 /nfs/dbraw/zinc/61/16/36/1018611636.db2.gz LFEJEMYPXASJNG-UHFFFAOYSA-N -1 0 302.298 -0.166 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NC[C@@H]1COCO1 ZINC001605509916 1018611918 /nfs/dbraw/zinc/61/19/18/1018611918.db2.gz LMYAMIJTDZTVMH-SSDOTTSWSA-N -1 0 306.282 -0.622 20 0 DBADRM Cn1cncc1CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001605523392 1018613139 /nfs/dbraw/zinc/61/31/39/1018613139.db2.gz YUOLSCOUFDBMMR-NSHDSACASA-N -1 0 308.338 -0.598 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCO1 ZINC001605527417 1018613243 /nfs/dbraw/zinc/61/32/43/1018613243.db2.gz ULKUMFMXFSYUEK-GUBZILKMSA-N -1 0 300.311 -0.177 20 0 DBADRM Cn1cncc1CC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605523129 1018613551 /nfs/dbraw/zinc/61/35/51/1018613551.db2.gz RVIUYXMMQQQWOO-NSHDSACASA-N -1 0 308.338 -0.456 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC001605532888 1018613731 /nfs/dbraw/zinc/61/37/31/1018613731.db2.gz JRSCESGFWRDOPQ-NSHDSACASA-N -1 0 322.365 -0.087 20 0 DBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)CN[C@](C)(CO)C(=O)[O-] ZINC001605524619 1018614063 /nfs/dbraw/zinc/61/40/63/1018614063.db2.gz LYQOJAHDRJOFLT-IINYFYTJSA-N -1 0 316.354 -0.644 20 0 DBADRM CCOCCCNC(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001605632516 1018637405 /nfs/dbraw/zinc/63/74/05/1018637405.db2.gz JJBXJVVYBWFPEO-CYBMUJFWSA-N -1 0 302.327 -0.769 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001605533290 1018614932 /nfs/dbraw/zinc/61/49/32/1018614932.db2.gz YBNYCEDGCBRJMV-RYUDHWBXSA-N -1 0 322.365 -0.211 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@@H](CO)[C@@H](O)c1ccccn1 ZINC001605533402 1018615064 /nfs/dbraw/zinc/61/50/64/1018615064.db2.gz CNPPBMAUTFMCIU-JQWIXIFHSA-N -1 0 320.305 -0.662 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001605536981 1018616240 /nfs/dbraw/zinc/61/62/40/1018616240.db2.gz PGWAOMXOZWHLLB-ZJUUUORDSA-N -1 0 323.367 -0.573 20 0 DBADRM CCOC(=O)CNC(=O)[C@H]1COCCN1CCCCC(=O)[O-] ZINC001605541722 1018616918 /nfs/dbraw/zinc/61/69/18/1018616918.db2.gz BVRVPCRCOVTVKV-LLVKDONJSA-N -1 0 316.354 -0.379 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC001605538984 1018617355 /nfs/dbraw/zinc/61/73/55/1018617355.db2.gz GXLSHADOCDATSN-GHMZBOCLSA-N -1 0 316.354 -0.428 20 0 DBADRM CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cn1cc(C(=O)[O-])nn1 ZINC001605534468 1018617826 /nfs/dbraw/zinc/61/78/26/1018617826.db2.gz BASFFTMPTLEYJP-NXEZZACHSA-N -1 0 312.326 -0.024 20 0 DBADRM CCOC(=O)Cn1ccc(NC(=O)NC[C@@H](O)CC(=O)[O-])n1 ZINC001605543575 1018617835 /nfs/dbraw/zinc/61/78/35/1018617835.db2.gz NQGHPSOEDOFGTL-QMMMGPOBSA-N -1 0 314.298 -0.597 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001605552580 1018619046 /nfs/dbraw/zinc/61/90/46/1018619046.db2.gz SQUCKAASLNNSGW-AOOOYVTPSA-N -1 0 320.367 -0.047 20 0 DBADRM Cn1[nH]c(=O)c2c1CN(C(=O)C1(C(=O)[O-])CCOCC1)CC2 ZINC001605553428 1018620338 /nfs/dbraw/zinc/62/03/38/1018620338.db2.gz LMTGZVOSFMTJTE-UHFFFAOYSA-N -1 0 309.322 -0.108 20 0 DBADRM Cn1nccc1[C@H](CO)NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001605561756 1018623199 /nfs/dbraw/zinc/62/31/99/1018623199.db2.gz QPIVCNNHQUOPIF-QMMMGPOBSA-N -1 0 308.298 -0.444 20 0 DBADRM CCOC(=O)c1cc(S(=O)(=O)NC[C@H](F)C(=O)[O-])cn1C ZINC001605569486 1018623759 /nfs/dbraw/zinc/62/37/59/1018623759.db2.gz GQKKJZPDNSPZIF-QMMMGPOBSA-N -1 0 322.314 -0.097 20 0 DBADRM Cn1ncc(I)c1CNC(=O)C(=O)[O-] ZINC001605559316 1018623884 /nfs/dbraw/zinc/62/38/84/1018623884.db2.gz OMTURDUPMHKDIJ-UHFFFAOYSA-N -1 0 309.063 -0.275 20 0 DBADRM Cn1nccc1[C@H](NS(=O)(=O)N=S(C)(C)=O)C(=O)[O-] ZINC001605569647 1018623934 /nfs/dbraw/zinc/62/39/34/1018623934.db2.gz GHWXTSIIEYEAKU-ZETCQYMHSA-N -1 0 310.357 -0.892 20 0 DBADRM CCOC(=O)[C@H](C)OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001605557696 1018624149 /nfs/dbraw/zinc/62/41/49/1018624149.db2.gz DIOFGJPQZRXGSL-DTWKUNHWSA-N -1 0 301.295 -0.196 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001605563944 1018624585 /nfs/dbraw/zinc/62/45/85/1018624585.db2.gz RLJSYOJHKVUQPB-WPRPVWTQSA-N -1 0 315.351 -0.513 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001605558397 1018624792 /nfs/dbraw/zinc/62/47/92/1018624792.db2.gz QXEYGRPIGZBAIM-GARJFASQSA-N -1 0 319.379 -0.241 20 0 DBADRM Cn1nccc1[C@@H](CO)NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001605561754 1018625714 /nfs/dbraw/zinc/62/57/14/1018625714.db2.gz QPIVCNNHQUOPIF-MRVPVSSYSA-N -1 0 308.298 -0.444 20 0 DBADRM CCO[C@H](C(=O)N(CC(=O)[O-])CC(=O)OC)C1CCOCC1 ZINC001605585033 1018627696 /nfs/dbraw/zinc/62/76/96/1018627696.db2.gz CVABMFWRFNBKKG-ZDUSSCGKSA-N -1 0 317.338 -0.096 20 0 DBADRM CCOC(=O)c1ncc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)s1 ZINC001605582944 1018627751 /nfs/dbraw/zinc/62/77/51/1018627751.db2.gz RGUDMTQPIMULIV-GFCCVEGCSA-N -1 0 314.319 -0.019 20 0 DBADRM Cn1nnc2cc(C(=O)O[C@@H]3CCN(CC(=O)[O-])C3=O)ccc21 ZINC001605576145 1018628745 /nfs/dbraw/zinc/62/87/45/1018628745.db2.gz JCFHERBZZVSMPX-LLVKDONJSA-N -1 0 318.289 -0.189 20 0 DBADRM Cn1ncnc1C1(O)CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC001605570931 1018629164 /nfs/dbraw/zinc/62/91/64/1018629164.db2.gz CAIKEDPPSZTDSA-ZJUUUORDSA-N -1 0 308.338 -0.264 20 0 DBADRM CCO[C@@H](C(=O)N(CC(=O)[O-])CC(=O)OC)C1CCOCC1 ZINC001605585032 1018629843 /nfs/dbraw/zinc/62/98/43/1018629843.db2.gz CVABMFWRFNBKKG-CYBMUJFWSA-N -1 0 317.338 -0.096 20 0 DBADRM CCOC1(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CCOCC1 ZINC001605596368 1018630705 /nfs/dbraw/zinc/63/07/05/1018630705.db2.gz PIXRLBXLDNSADG-UWVGGRQHSA-N -1 0 316.354 -0.334 20 0 DBADRM CCO[C@H]1C[C@](NC(=O)COCC(=O)OC)(C(=O)[O-])C1(C)C ZINC001605604979 1018631588 /nfs/dbraw/zinc/63/15/88/1018631588.db2.gz PXWNKHQIVABLPQ-XPTSAGLGSA-N -1 0 317.338 -0.049 20 0 DBADRM CCOC1(CS(=O)(=O)N[C@@H](CF)C(=O)[O-])CCOCC1 ZINC001605595941 1018633019 /nfs/dbraw/zinc/63/30/19/1018633019.db2.gz PPCNHEBJSHXDKN-VIFPVBQESA-N -1 0 313.347 -0.086 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001605618459 1018634206 /nfs/dbraw/zinc/63/42/06/1018634206.db2.gz KZRXDGALLCDODH-RKDXNWHRSA-N -1 0 312.326 -0.506 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001605625138 1018635258 /nfs/dbraw/zinc/63/52/58/1018635258.db2.gz SJRKEIXOLFZECM-PWSUYJOCSA-N -1 0 318.370 -0.278 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001605625005 1018635548 /nfs/dbraw/zinc/63/55/48/1018635548.db2.gz RFFVDIHMVUZHAJ-NXEZZACHSA-N -1 0 322.383 -0.736 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CCO1 ZINC001605627396 1018638432 /nfs/dbraw/zinc/63/84/32/1018638432.db2.gz ABNYQVXRFQRKIX-OUAUKWLOSA-N -1 0 314.338 -0.641 20 0 DBADRM NC(=O)[C@@]1(O)CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC001605627237 1018638492 /nfs/dbraw/zinc/63/84/92/1018638492.db2.gz XWXAWMNLNJLNJZ-CQSZACIVSA-N -1 0 308.290 -0.788 20 0 DBADRM NC(=O)CC1(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC001605628025 1018638640 /nfs/dbraw/zinc/63/86/40/1018638640.db2.gz RYFQXHOMOFRYNR-YMTOWFKASA-N -1 0 311.338 -0.615 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC001605627185 1018639042 /nfs/dbraw/zinc/63/90/42/1018639042.db2.gz WFPSWEBUUNUMAQ-JNIYBQFBSA-N -1 0 310.350 -0.162 20 0 DBADRM NS(=O)(=O)C1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001605642777 1018639725 /nfs/dbraw/zinc/63/97/25/1018639725.db2.gz FZDSRFLOQNVBOE-UHFFFAOYSA-N -1 0 314.323 -0.932 20 0 DBADRM NC(=O)c1ccc(/C=C/C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)o1 ZINC001605638420 1018640067 /nfs/dbraw/zinc/64/00/67/1018640067.db2.gz ARRLJEBLHGBTDH-XCRNYIDWSA-N -1 0 322.273 -0.380 20 0 DBADRM NC(=O)c1cn(CCOC(=O)[C@@H](C(=O)[O-])C2CCCC2)nn1 ZINC001605643050 1018640124 /nfs/dbraw/zinc/64/01/24/1018640124.db2.gz TYCOHBUGWYYLGW-SNVBAGLBSA-N -1 0 310.310 -0.189 20 0 DBADRM CCOC[C@H](C)NC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001605641127 1018640134 /nfs/dbraw/zinc/64/01/34/1018640134.db2.gz SSRRWLYLHQZDBH-AEJSXWLSSA-N -1 0 302.327 -0.073 20 0 DBADRM NC(=O)c1cn(CCCCNC(=O)[C@H]2CC[C@H]2C(=O)[O-])nn1 ZINC001605642400 1018640242 /nfs/dbraw/zinc/64/02/42/1018640242.db2.gz ANGDLNHXVJOUEW-DTWKUNHWSA-N -1 0 309.326 -0.616 20 0 DBADRM CCOCCN(CC)C(=O)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001605635486 1018640669 /nfs/dbraw/zinc/64/06/69/1018640669.db2.gz DIBRTBIPCAWEOQ-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM CCOCCn1cc(C(=O)NC2(C(=O)[O-])CC(CO)C2)cn1 ZINC001605640846 1018640987 /nfs/dbraw/zinc/64/09/87/1018640987.db2.gz LUVABAPNXOOKAY-UHFFFAOYSA-N -1 0 311.338 -0.125 20 0 DBADRM NC(=O)c1nc(Cc2ccccc2)n(CC(=O)NCC(=O)[O-])n1 ZINC001605642675 1018641228 /nfs/dbraw/zinc/64/12/28/1018641228.db2.gz IFTUJWRVYMDXAR-UHFFFAOYSA-N -1 0 317.305 -0.831 20 0 DBADRM CCOC[C@H](C)NC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001605641128 1018641576 /nfs/dbraw/zinc/64/15/76/1018641576.db2.gz SSRRWLYLHQZDBH-GUBZILKMSA-N -1 0 302.327 -0.073 20 0 DBADRM CCOCCOCC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605638068 1018641671 /nfs/dbraw/zinc/64/16/71/1018641671.db2.gz GDFVCKNQLWYADS-VHSXEESVSA-N -1 0 303.311 -0.628 20 0 DBADRM NC(=O)c1cnn(CCOC(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001605643280 1018642199 /nfs/dbraw/zinc/64/21/99/1018642199.db2.gz ZNJSEMNATMBQSG-UHFFFAOYSA-N -1 0 304.262 -0.068 20 0 DBADRM NS(=O)(=O)c1cnn(CC(=O)NC2(CC(=O)[O-])CCC2)c1 ZINC001605648944 1018642577 /nfs/dbraw/zinc/64/25/77/1018642577.db2.gz KSRYPLVGBZRPJS-UHFFFAOYSA-N -1 0 316.339 -0.956 20 0 DBADRM NS(=O)(=O)C1CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC001605643482 1018643034 /nfs/dbraw/zinc/64/30/34/1018643034.db2.gz WBQSYNHPMCYKHT-UHFFFAOYSA-N -1 0 319.383 -0.296 20 0 DBADRM CCO[C@@]1(C)C[C@H]1NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001605652563 1018643635 /nfs/dbraw/zinc/64/36/35/1018643635.db2.gz ZLQPGGOSSBCMRV-RNCFNFMXSA-N -1 0 301.343 -0.166 20 0 DBADRM CCO[C@@]1(C)C[C@H]1NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001605652548 1018643682 /nfs/dbraw/zinc/64/36/82/1018643682.db2.gz YUUKSCVCXYKQFT-YDEXJTGXSA-N -1 0 301.343 -0.169 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NCCC(=O)NCc2ccccn2)CCCO1 ZINC001605680437 1018645172 /nfs/dbraw/zinc/64/51/72/1018645172.db2.gz PPMWSVLFLNGGCC-HNNXBMFYSA-N -1 0 321.333 -0.162 20 0 DBADRM Nc1nnn(CC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC001605660465 1018646294 /nfs/dbraw/zinc/64/62/94/1018646294.db2.gz ONPQABIOBNQOTQ-VHSXEESVSA-N -1 0 302.294 -0.315 20 0 DBADRM Nc1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1-n1ccnc1 ZINC001605654494 1018646338 /nfs/dbraw/zinc/64/63/38/1018646338.db2.gz CWOFJZBLSNTMFZ-UHFFFAOYSA-N -1 0 318.289 -0.188 20 0 DBADRM Nc1nc(=O)[nH]cc1N1CCN(C(=O)CCCC(=O)[O-])CC1 ZINC001605655099 1018646880 /nfs/dbraw/zinc/64/68/80/1018646880.db2.gz DMDJVNITSXZOEA-UHFFFAOYSA-N -1 0 309.326 -0.332 20 0 DBADRM Cc1cc(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n(C)n1 ZINC001605656406 1018647645 /nfs/dbraw/zinc/64/76/45/1018647645.db2.gz IQZZVEVARAMPKR-QMMMGPOBSA-N -1 0 316.329 -0.622 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)OCCN1CCC[C@@H]1C(=O)[O-] ZINC001605703227 1018648983 /nfs/dbraw/zinc/64/89/83/1018648983.db2.gz ZNJPVSMEXYDPPL-SNVBAGLBSA-N -1 0 305.352 -0.344 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@@H](Cc1ccccc1O)C(=O)[O-] ZINC001605718857 1018649684 /nfs/dbraw/zinc/64/96/84/1018649684.db2.gz PYYMITIJZVWFNB-JTQLQIEISA-N -1 0 315.347 -0.061 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001605725882 1018651539 /nfs/dbraw/zinc/65/15/39/1018651539.db2.gz KKGUEEQCRDLYLY-MRVPVSSYSA-N -1 0 315.351 -0.276 20 0 DBADRM CCS(=O)(=O)CCNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001605726837 1018651559 /nfs/dbraw/zinc/65/15/59/1018651559.db2.gz MUNDLSYCQQEQGJ-UHFFFAOYSA-N -1 0 313.397 -0.405 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001605726205 1018651748 /nfs/dbraw/zinc/65/17/48/1018651748.db2.gz PMGHEGYDOMZEFE-ACZMJKKPSA-N -1 0 314.310 -0.604 20 0 DBADRM CCS(=O)(=O)N1CCN([C@H](CCC(=O)OC)C(=O)[O-])CC1 ZINC001605726193 1018652519 /nfs/dbraw/zinc/65/25/19/1018652519.db2.gz OPVYEKVOKRVSEQ-SNVBAGLBSA-N -1 0 322.383 -0.640 20 0 DBADRM CCS(=O)(=O)NCC(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001605727699 1018652020 /nfs/dbraw/zinc/65/20/20/1018652020.db2.gz MMTBBOGINDFIKN-UHFFFAOYSA-N -1 0 301.324 -0.665 20 0 DBADRM CCS(=O)(=O)N1CCN([C@@H](CCC(=O)[O-])C(=O)OC)CC1 ZINC001605726589 1018652031 /nfs/dbraw/zinc/65/20/31/1018652031.db2.gz XJOADLZXGJPASF-JTQLQIEISA-N -1 0 322.383 -0.640 20 0 DBADRM CCS(=O)(=O)NCCN(C)[C@@H](COC1CCC1)C(=O)[O-] ZINC001605727449 1018652983 /nfs/dbraw/zinc/65/29/83/1018652983.db2.gz FDIUHYGLTWZIBC-NSHDSACASA-N -1 0 308.400 -0.120 20 0 DBADRM CC[S@](=O)CCN1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001605734927 1018654082 /nfs/dbraw/zinc/65/40/82/1018654082.db2.gz ARIWTVWWVCPVKC-FRUKKLPWSA-N -1 0 302.352 -0.118 20 0 DBADRM Cc1cc(N[C@H]2C[C@H](S(C)(=O)=O)C2)cc(-c2nn[nH]n2)n1 ZINC001605745040 1018654317 /nfs/dbraw/zinc/65/43/17/1018654317.db2.gz WZDCRMSFZDDOPQ-MGCOHNPYSA-N -1 0 308.367 -0.020 20 0 DBADRM CCS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC001605730271 1018654717 /nfs/dbraw/zinc/65/47/17/1018654717.db2.gz AXTSEELPCZDIMW-JTQLQIEISA-N -1 0 301.320 -0.345 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1ccc(F)cc1 ZINC001605731658 1018654805 /nfs/dbraw/zinc/65/48/05/1018654805.db2.gz QZECGEATARIQOH-NXEZZACHSA-N -1 0 316.310 -0.241 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC001605744027 1018654908 /nfs/dbraw/zinc/65/49/08/1018654908.db2.gz XSSIQZYDEKRQNS-SFJPCSRHSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC2CCC(F)(F)CC2)CCO1 ZINC001605743881 1018654969 /nfs/dbraw/zinc/65/49/69/1018654969.db2.gz IYSOIUXJYLCAKB-SECBINFHSA-N -1 0 320.292 -0.008 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Nc2n[nH]nc2C(=O)NC2CC2)CCO1 ZINC001605743413 1018655516 /nfs/dbraw/zinc/65/55/16/1018655516.db2.gz KFSIRHXWUGKJJY-SSDOTTSWSA-N -1 0 324.297 -0.986 20 0 DBADRM O=C([O-])C1(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CCCCCC1 ZINC001605736017 1018655802 /nfs/dbraw/zinc/65/58/02/1018655802.db2.gz OOGJEANZBQLVDQ-IJLUTSLNSA-N -1 0 313.350 -0.307 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001605736678 1018656150 /nfs/dbraw/zinc/65/61/50/1018656150.db2.gz PMJATELGLWKRQS-LXGOIASLSA-N -1 0 304.368 -0.663 20 0 DBADRM CCS(=O)(=O)NCC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001605727977 1018656925 /nfs/dbraw/zinc/65/69/25/1018656925.db2.gz SSINIWCGJFLBQV-LLVKDONJSA-N -1 0 314.363 -0.090 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1c1ncc(C(=O)[O-])cn1 ZINC001605754491 1018658854 /nfs/dbraw/zinc/65/88/54/1018658854.db2.gz KJAAAIBFHQAOKF-DTWKUNHWSA-N -1 0 307.310 -0.866 20 0 DBADRM CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001605754371 1018659217 /nfs/dbraw/zinc/65/92/17/1018659217.db2.gz NLBLJMNCGKBPPS-ISTVAULSSA-N -1 0 314.338 -0.628 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CC[C@@H](O)[C@H](F)C2)CCOCC1 ZINC001605761138 1018659718 /nfs/dbraw/zinc/65/97/18/1018659718.db2.gz PKOMBVYRAXECJV-NXEZZACHSA-N -1 0 304.318 -0.018 20 0 DBADRM CCc1cc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)[nH]n1 ZINC001605785417 1018660590 /nfs/dbraw/zinc/66/05/90/1018660590.db2.gz ZONJLODMOLCNSC-WDEREUQCSA-N -1 0 320.349 -0.023 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2cccnc2)CCO1 ZINC001605786323 1018660933 /nfs/dbraw/zinc/66/09/33/1018660933.db2.gz JTQUPAUVHQWPRG-LLVKDONJSA-N -1 0 307.306 -0.948 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1C[C@@H]2C[C@]2(O)C1 ZINC001605801557 1018661616 /nfs/dbraw/zinc/66/16/16/1018661616.db2.gz DNWNVORLNWIDEF-GWCFXTLKSA-N -1 0 321.362 -0.070 20 0 DBADRM CCc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001605786147 1018662337 /nfs/dbraw/zinc/66/23/37/1018662337.db2.gz WALTZTLBAYYTAU-GHMZBOCLSA-N -1 0 320.349 -0.119 20 0 DBADRM CCc1cc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001605785312 1018662367 /nfs/dbraw/zinc/66/23/67/1018662367.db2.gz SWWDMPMNAFFTCJ-WDEREUQCSA-N -1 0 320.349 -0.024 20 0 DBADRM CCc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])nn1C ZINC001605785170 1018662652 /nfs/dbraw/zinc/66/26/52/1018662652.db2.gz NAFGOBXCZFSYGL-JTQLQIEISA-N -1 0 315.351 -0.694 20 0 DBADRM O=C([O-])C1(CNC(=O)NCCN2CCNC2=S)CCC1 ZINC001605780581 1018662697 /nfs/dbraw/zinc/66/26/97/1018662697.db2.gz OBWHTLJVGLPNFW-UHFFFAOYSA-N -1 0 300.384 -0.269 20 0 DBADRM CCc1n[nH]cc1C(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001605777547 1018663180 /nfs/dbraw/zinc/66/31/80/1018663180.db2.gz MUHJGQRLMZURRW-VHSXEESVSA-N -1 0 320.349 -0.119 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1nnn(C)n1 ZINC001605803023 1018663706 /nfs/dbraw/zinc/66/37/06/1018663706.db2.gz VGANUADHORAYJA-UHFFFAOYSA-N -1 0 321.326 -0.501 20 0 DBADRM CCc1nc[nH]c1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001605860524 1018664840 /nfs/dbraw/zinc/66/48/40/1018664840.db2.gz ZONMEILUQYFIMV-QMMMGPOBSA-N -1 0 315.351 -0.314 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC2COCCOC2)c1 ZINC001605857452 1018665160 /nfs/dbraw/zinc/66/51/60/1018665160.db2.gz PIEIBXNWVNWBIZ-UHFFFAOYSA-N -1 0 308.290 -0.145 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCc1nnc3n1CCC3)C2 ZINC001605814548 1018665939 /nfs/dbraw/zinc/66/59/39/1018665939.db2.gz GRADGABAHJQXPA-XPTSAGLGSA-N -1 0 321.337 -0.533 20 0 DBADRM CCc1nnc([C@@H](C)[S@@](=O)C[C@H](NC(C)=O)C(=O)[O-])[nH]1 ZINC001605842582 1018666233 /nfs/dbraw/zinc/66/62/33/1018666233.db2.gz NDKQIJZMIKWFQO-KXCWDCKNSA-N -1 0 302.356 -0.234 20 0 DBADRM CCc1ccc(NC(=O)C(=O)NC(C)(CO)CO)c(C(=O)[O-])c1 ZINC001605818492 1018666251 /nfs/dbraw/zinc/66/62/51/1018666251.db2.gz WWFNSNUIWSYEJG-UHFFFAOYSA-N -1 0 324.333 -0.255 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC001605837424 1018666772 /nfs/dbraw/zinc/66/67/72/1018666772.db2.gz JONQNWCQUAFLJD-ZSGNIPIJSA-N -1 0 310.350 -0.271 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC[C@H]2CO)c(-c2nn[nH]n2)c1 ZINC001605882280 1018668922 /nfs/dbraw/zinc/66/89/22/1018668922.db2.gz PIJPBRDEFXVHBQ-VIFPVBQESA-N -1 0 309.351 -0.070 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CCCN(C3CC3)C2=O)CC1 ZINC001605885418 1018669209 /nfs/dbraw/zinc/66/92/09/1018669209.db2.gz GVJMVWPVSMVFTK-NSHDSACASA-N -1 0 323.349 -0.857 20 0 DBADRM CCc1ncncc1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001605863962 1018669571 /nfs/dbraw/zinc/66/95/71/1018669571.db2.gz UWCQZAICENKRRB-VHSXEESVSA-N -1 0 318.333 -0.300 20 0 DBADRM O=C([O-])C(=O)COC(=O)C(=O)N1CCN(c2ccccc2)CC1 ZINC001605878348 1018669837 /nfs/dbraw/zinc/66/98/37/1018669837.db2.gz AJXZTPGESSEAGF-UHFFFAOYSA-N -1 0 320.301 -0.468 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)Nc1cnn(CCO)c1 ZINC001605873421 1018670479 /nfs/dbraw/zinc/67/04/79/1018670479.db2.gz LGJBLNFSFNWINP-UHFFFAOYSA-N -1 0 319.277 -0.454 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC001605885880 1018672177 /nfs/dbraw/zinc/67/21/77/1018672177.db2.gz TWWLTHIUJLITHT-SECBINFHSA-N -1 0 306.322 -0.730 20 0 DBADRM CCn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1[C@@](C)(O)COC ZINC001605911647 1018672311 /nfs/dbraw/zinc/67/23/11/1018672311.db2.gz MQUOCBADJBMMFZ-RNCFNFMXSA-N -1 0 314.342 -0.558 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)N(C)OC ZINC001605886746 1018672809 /nfs/dbraw/zinc/67/28/09/1018672809.db2.gz LEWAQJWNTFQWTK-UHFFFAOYSA-N -1 0 320.323 -0.162 20 0 DBADRM CCn1cc(C(=O)N2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001605915635 1018674279 /nfs/dbraw/zinc/67/42/79/1018674279.db2.gz SYWSBZWZEFPHIZ-RYUDHWBXSA-N -1 0 320.349 -0.188 20 0 DBADRM O=C([O-])C1(C(=O)N[C@H]2CC23CC(O)C3)CCS(=O)(=O)CC1 ZINC001605917503 1018674450 /nfs/dbraw/zinc/67/44/50/1018674450.db2.gz RLWMCLZZEIUIRE-XEVUQIKYSA-N -1 0 317.363 -0.704 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CCN(CCCCCO)CC2)CCCO1 ZINC001605916178 1018674736 /nfs/dbraw/zinc/67/47/36/1018674736.db2.gz KZLLIQYQANYDIZ-OAHLLOKOSA-N -1 0 314.382 -0.073 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)nn1 ZINC001605920880 1018674944 /nfs/dbraw/zinc/67/49/44/1018674944.db2.gz KUNPNQATMMHYNF-CQSZACIVSA-N -1 0 323.353 -0.373 20 0 DBADRM CCn1cc(CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001605920316 1018675131 /nfs/dbraw/zinc/67/51/31/1018675131.db2.gz ISJWGXAQXNGHKN-VXGBXAGGSA-N -1 0 320.349 -0.507 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CCN(c3cccnn3)CC2)CCCO1 ZINC001605916170 1018675339 /nfs/dbraw/zinc/67/53/39/1018675339.db2.gz KSVRJPZAGXHUAJ-AWEZNQCLSA-N -1 0 306.322 -0.241 20 0 DBADRM CCn1nc(C)c(CNC(=O)N2CC[C@@](OC)(C(=O)[O-])C2)n1 ZINC001605939849 1018676481 /nfs/dbraw/zinc/67/64/81/1018676481.db2.gz OEFFZJWKUDUICO-ZDUSSCGKSA-N -1 0 311.342 -0.008 20 0 DBADRM O=C([O-])C1(C(=O)Nc2ccc(=O)n(CCO)c2)CCOCC1 ZINC001605938023 1018676666 /nfs/dbraw/zinc/67/66/66/1018676666.db2.gz RVSRBVYJUXINMF-UHFFFAOYSA-N -1 0 310.306 -0.340 20 0 DBADRM CCn1cncc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)c1=O ZINC001605932572 1018676890 /nfs/dbraw/zinc/67/68/90/1018676890.db2.gz OFXQIIVFXUTLMW-VIFPVBQESA-N -1 0 322.321 -0.475 20 0 DBADRM CCn1nc(C)c(CNS(=O)(=O)CC2(C(=O)[O-])CC2)n1 ZINC001605939689 1018677206 /nfs/dbraw/zinc/67/72/06/1018677206.db2.gz JLGKRQKXHCQQBS-UHFFFAOYSA-N -1 0 302.356 -0.109 20 0 DBADRM O=C([O-])C1(C(=O)NCCN2CCNC2=S)CCSCC1 ZINC001605928569 1018677252 /nfs/dbraw/zinc/67/72/52/1018677252.db2.gz KTKJJEQPJDFPPP-UHFFFAOYSA-N -1 0 317.436 -0.109 20 0 DBADRM CCn1cncc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)c1=O ZINC001605932571 1018677405 /nfs/dbraw/zinc/67/74/05/1018677405.db2.gz OFXQIIVFXUTLMW-SECBINFHSA-N -1 0 322.321 -0.475 20 0 DBADRM O=C([O-])C1(C(=O)NCCC2(O)CCC2)CCS(=O)(=O)CC1 ZINC001605925344 1018678153 /nfs/dbraw/zinc/67/81/53/1018678153.db2.gz NMIJFCDGQIXPGO-UHFFFAOYSA-N -1 0 319.379 -0.313 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)n1 ZINC001605941609 1018678880 /nfs/dbraw/zinc/67/88/80/1018678880.db2.gz ZPGOMIMMJGXWQK-CQSZACIVSA-N -1 0 323.353 -0.373 20 0 DBADRM CCn1nccc1NC(=O)C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001605945157 1018679150 /nfs/dbraw/zinc/67/91/50/1018679150.db2.gz BMIUYZWGYDCZKG-CYBMUJFWSA-N -1 0 310.310 -0.409 20 0 DBADRM CCn1ncc(C)c1NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001605941118 1018679750 /nfs/dbraw/zinc/67/97/50/1018679750.db2.gz NXJJQPXGBKXKHR-NXEZZACHSA-N -1 0 324.337 -0.556 20 0 DBADRM CCn1nncc1CN1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605947075 1018679928 /nfs/dbraw/zinc/67/99/28/1018679928.db2.gz SMYCTJUESIMKOB-RYUDHWBXSA-N -1 0 307.354 -0.339 20 0 DBADRM CCn1nccc1NC(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001605946374 1018680036 /nfs/dbraw/zinc/68/00/36/1018680036.db2.gz VZSDXZXRKISUNB-ZDUSSCGKSA-N -1 0 310.310 -0.456 20 0 DBADRM CCn1ncc(CN2C(=O)[C@@H]3C[C@@H](C(=O)[O-])CCN3C2=O)n1 ZINC001605941128 1018680220 /nfs/dbraw/zinc/68/02/20/1018680220.db2.gz OCEMJRYLNNQIHN-WPRPVWTQSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1nncc1CN1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001605947100 1018680270 /nfs/dbraw/zinc/68/02/70/1018680270.db2.gz UCUOAAORQFLPIR-WCBMZHEXSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1nccc1NC(=O)C(=O)NCCSCC(=O)[O-] ZINC001605946287 1018680357 /nfs/dbraw/zinc/68/03/57/1018680357.db2.gz RMSQSTONAUFJNC-UHFFFAOYSA-N -1 0 300.340 -0.225 20 0 DBADRM CCn1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001605941135 1018680388 /nfs/dbraw/zinc/68/03/88/1018680388.db2.gz OFPKNEUSDFVQCG-CNVPUSNMSA-N -1 0 307.354 -0.245 20 0 DBADRM CCn1nncc1CNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001605947067 1018680478 /nfs/dbraw/zinc/68/04/78/1018680478.db2.gz RQOOSFTZZZILFC-IINYFYTJSA-N -1 0 323.353 -0.069 20 0 DBADRM CCn1ncc(C)c1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001605941121 1018680547 /nfs/dbraw/zinc/68/05/47/1018680547.db2.gz NXJJQPXGBKXKHR-ZJUUUORDSA-N -1 0 324.337 -0.556 20 0 DBADRM CCn1nncc1CN1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605947073 1018680643 /nfs/dbraw/zinc/68/06/43/1018680643.db2.gz SMYCTJUESIMKOB-NEPJUHHUSA-N -1 0 307.354 -0.339 20 0 DBADRM Cc1ccnc(COC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001605955032 1018681236 /nfs/dbraw/zinc/68/12/36/1018681236.db2.gz QMZXCOTYVPKHCX-QMMMGPOBSA-N -1 0 315.297 -0.139 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cn(C)cn2)C1 ZINC001605957825 1018681780 /nfs/dbraw/zinc/68/17/80/1018681780.db2.gz UZNGXLOCEKJMCZ-UWVGGRQHSA-N -1 0 306.322 -0.576 20 0 DBADRM CN(C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F)[C@@H]1CCNC1=O ZINC001605949890 1018682932 /nfs/dbraw/zinc/68/29/32/1018682932.db2.gz KLHLKRJMZSOUBZ-SNVBAGLBSA-N -1 0 323.280 -0.191 20 0 DBADRM CN(C(=O)CCNS(C)(=O)=O)[C@H](COC1CCC1)C(=O)[O-] ZINC001605961394 1018684432 /nfs/dbraw/zinc/68/44/32/1018684432.db2.gz GIJUJCWEQRMMCS-SNVBAGLBSA-N -1 0 322.383 -0.594 20 0 DBADRM CN(C(=O)CCc1nnc[nH]1)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605960671 1018684545 /nfs/dbraw/zinc/68/45/45/1018684545.db2.gz FHTUECICKVAVQI-ZJUUUORDSA-N -1 0 321.337 -0.873 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001606045172 1018705818 /nfs/dbraw/zinc/70/58/18/1018705818.db2.gz HUEMYSSRJZRLLP-SFHVURJKSA-N -1 0 313.401 -0.398 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@H]2Cc3cccnc3NC2=O)C1 ZINC001605968227 1018684665 /nfs/dbraw/zinc/68/46/65/1018684665.db2.gz UFYOUZJAYBXVSA-CBAPKCEASA-N -1 0 304.262 -0.710 20 0 DBADRM CN(C(=O)CCn1cccn1)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605960750 1018684855 /nfs/dbraw/zinc/68/48/55/1018684855.db2.gz HJGHNSATOVOUTA-NEPJUHHUSA-N -1 0 320.349 -0.337 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NC[C@@H]2CC3(CO2)CCOCC3)C1 ZINC001605966592 1018684993 /nfs/dbraw/zinc/68/49/93/1018684993.db2.gz AMWIYYJPHRSTED-GXSJLCMTSA-N -1 0 312.322 -0.082 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)CCc2ncc[nH]2)C1 ZINC001605958350 1018685313 /nfs/dbraw/zinc/68/53/13/1018685313.db2.gz ZWWQPKYPWQNKAP-QWRGUYRKSA-N -1 0 320.349 -0.268 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCc2nnc(-c3ccncc3)[nH]2)C1 ZINC001605970186 1018685624 /nfs/dbraw/zinc/68/56/24/1018685624.db2.gz MIPCSTKYIOYDKR-SECBINFHSA-N -1 0 316.277 -0.288 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)C1 ZINC001605967085 1018685765 /nfs/dbraw/zinc/68/57/65/1018685765.db2.gz FOUZATWHKHIQDO-UWVGGRQHSA-N -1 0 316.335 -0.749 20 0 DBADRM CN(C(=O)CN1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1)C1CC1 ZINC001605960929 1018686215 /nfs/dbraw/zinc/68/62/15/1018686215.db2.gz OBDBLZXAAYCQDM-NEPJUHHUSA-N -1 0 309.366 -0.624 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC001605967976 1018686306 /nfs/dbraw/zinc/68/63/06/1018686306.db2.gz QTHCAOPDKBNTDZ-USWWRNFRSA-N -1 0 306.274 -0.173 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@@H]2Cc3cccnc3NC2=O)C1 ZINC001605968226 1018686323 /nfs/dbraw/zinc/68/63/23/1018686323.db2.gz UFYOUZJAYBXVSA-APPZFPTMSA-N -1 0 304.262 -0.710 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CC[C@H](CN3CCOC3=O)C2)C1 ZINC001605976635 1018686820 /nfs/dbraw/zinc/68/68/20/1018686820.db2.gz FKWQNMHPJYNNGR-QWRGUYRKSA-N -1 0 311.338 -0.349 20 0 DBADRM CN(C(=O)c1ccnn1C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001605985556 1018687017 /nfs/dbraw/zinc/68/70/17/1018687017.db2.gz VOFPRLVDLYDOMT-VHSXEESVSA-N -1 0 306.322 -0.576 20 0 DBADRM Cc1cnc(CC(=O)NCCn2cnc(-c3nnn[n-]3)n2)s1 ZINC001605976124 1018687879 /nfs/dbraw/zinc/68/78/79/1018687879.db2.gz UAFNCKJGLAAYIA-UHFFFAOYSA-N -1 0 319.354 -0.418 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=S)NCCCC(=O)[O-])O1 ZINC001605990970 1018688464 /nfs/dbraw/zinc/68/84/64/1018688464.db2.gz CNHOTMYADBWXBU-NXEZZACHSA-N -1 0 317.411 -0.049 20 0 DBADRM CN(C(=O)c1ccnn1C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605985557 1018688614 /nfs/dbraw/zinc/68/86/14/1018688614.db2.gz VOFPRLVDLYDOMT-ZJUUUORDSA-N -1 0 306.322 -0.576 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCC(CN3CCNC3=O)CC2)C1 ZINC001605977744 1018688656 /nfs/dbraw/zinc/68/86/56/1018688656.db2.gz MEXKPNPHCZIVRR-GFCCVEGCSA-N -1 0 324.381 -0.386 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NC2CC(CC(=O)[O-])C2)nn1 ZINC001606000272 1018691001 /nfs/dbraw/zinc/69/10/01/1018691001.db2.gz LHHPWAWMTYYYMM-UHFFFAOYSA-N -1 0 309.326 -0.651 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@](O)(C(F)F)C2)C1 ZINC001605999979 1018691570 /nfs/dbraw/zinc/69/15/70/1018691570.db2.gz JVVSPSNLMKQWGK-JMCQJSRRSA-N -1 0 306.265 -0.852 20 0 DBADRM Cc1n[nH]c(C(=O)NCc2ccnc(-c3nn[nH]n3)c2)c1[O-] ZINC001606008636 1018692548 /nfs/dbraw/zinc/69/25/48/1018692548.db2.gz IMWHTTYOFVAFAY-UHFFFAOYSA-N -1 0 300.282 -0.071 20 0 DBADRM Cc1[nH]nc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)c1C ZINC001606013221 1018692585 /nfs/dbraw/zinc/69/25/85/1018692585.db2.gz IDHTZLZJNWEOIK-ZETCQYMHSA-N -1 0 302.302 -0.002 20 0 DBADRM CN(C)C(=O)NCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001606001754 1018693703 /nfs/dbraw/zinc/69/37/03/1018693703.db2.gz CZOOUILQMLCBFI-UHFFFAOYSA-N -1 0 322.321 -0.289 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1 ZINC001606003924 1018694630 /nfs/dbraw/zinc/69/46/30/1018694630.db2.gz IFQFGZAYTRPVEY-UWVGGRQHSA-N -1 0 314.342 -0.463 20 0 DBADRM CN(C)C(=O)c1ccc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)nc1 ZINC001606005985 1018695274 /nfs/dbraw/zinc/69/52/74/1018695274.db2.gz BMGSMXZOTKHZJQ-AWEZNQCLSA-N -1 0 322.321 -0.163 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001606038272 1018702687 /nfs/dbraw/zinc/70/26/87/1018702687.db2.gz YJDYVSCTGCKKFI-JTQLQIEISA-N -1 0 310.397 -0.656 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001606037942 1018703155 /nfs/dbraw/zinc/70/31/55/1018703155.db2.gz RDTMQXCXTMZZLC-VHSXEESVSA-N -1 0 322.383 -0.879 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC001606037520 1018703196 /nfs/dbraw/zinc/70/31/96/1018703196.db2.gz JELXYUYJAFITOS-VIFPVBQESA-N -1 0 324.424 -0.313 20 0 DBADRM CN(C)Cc1cc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)no1 ZINC001606033223 1018704379 /nfs/dbraw/zinc/70/43/79/1018704379.db2.gz ICSIBKRNHBMUQY-UHFFFAOYSA-N -1 0 320.309 -0.277 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001606037161 1018704425 /nfs/dbraw/zinc/70/44/25/1018704425.db2.gz BPQMGUQVXPRYPA-SECBINFHSA-N -1 0 306.365 -0.119 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)NCC(C)(C)CC(=O)[O-] ZINC001606039463 1018705247 /nfs/dbraw/zinc/70/52/47/1018705247.db2.gz TZNCUDZUKZHTKZ-UHFFFAOYSA-N -1 0 309.388 -0.658 20 0 DBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001606039294 1018706222 /nfs/dbraw/zinc/70/62/22/1018706222.db2.gz MMSGYQJWQRIUNQ-UHFFFAOYSA-N -1 0 319.339 -0.392 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CC(C(=O)[O-])C2)n(C)c1 ZINC001606038826 1018706488 /nfs/dbraw/zinc/70/64/88/1018706488.db2.gz ISTDZKIAXPEXPF-UHFFFAOYSA-N -1 0 315.351 -0.568 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001606045545 1018706578 /nfs/dbraw/zinc/70/65/78/1018706578.db2.gz MFZXNYWYUKIUOP-QONUSYMYSA-N -1 0 321.399 -0.301 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCCn1cccn1 ZINC001606053692 1018707999 /nfs/dbraw/zinc/70/79/99/1018707999.db2.gz HVCWUZLDRZWZPO-SNVBAGLBSA-N -1 0 315.351 -0.627 20 0 DBADRM Cc1nc(NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)oc1C ZINC001606057273 1018708837 /nfs/dbraw/zinc/70/88/37/1018708837.db2.gz CCGBAQMYIXVAFD-UHFFFAOYSA-N -1 0 318.301 -0.115 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cnn2ncccc12 ZINC001606057076 1018709417 /nfs/dbraw/zinc/70/94/17/1018709417.db2.gz LHMSRJZXTQRBJE-SNVBAGLBSA-N -1 0 324.318 -0.947 20 0 DBADRM CN(C)c1cnc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)cn1 ZINC001606065887 1018709578 /nfs/dbraw/zinc/70/95/78/1018709578.db2.gz OTXIHNKJVFBLMY-JTQLQIEISA-N -1 0 322.321 -0.225 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1cnn(CCF)c1 ZINC001606057583 1018709675 /nfs/dbraw/zinc/70/96/75/1018709675.db2.gz QTPPMRZNSNCEFH-JTQLQIEISA-N -1 0 305.331 -0.464 20 0 DBADRM O=C([O-])/C=C\c1cc(C(=O)N[C@@H](CO)CN2CCOCC2)co1 ZINC001606062236 1018709914 /nfs/dbraw/zinc/70/99/14/1018709914.db2.gz BLJCODGKBSTOOL-UDSFMNFJSA-N -1 0 324.333 -0.200 20 0 DBADRM CN(C)c1ncccc1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001606068910 1018711080 /nfs/dbraw/zinc/71/10/80/1018711080.db2.gz INPFPSSGQXNIBI-UHFFFAOYSA-N -1 0 308.338 -0.142 20 0 DBADRM CN([C@H]1CC(C)(C)OC1=O)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606072708 1018711482 /nfs/dbraw/zinc/71/14/82/1018711482.db2.gz STUQNSLGZGRBOD-ZETCQYMHSA-N -1 0 317.323 -0.178 20 0 DBADRM CN(C)c1ncc(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)n1C ZINC001606068674 1018711546 /nfs/dbraw/zinc/71/15/46/1018711546.db2.gz UBBGJWGMWIOFQP-WAAGHKOSSA-N -1 0 316.383 -0.231 20 0 DBADRM CN(C)c1noc(CCC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001606070164 1018712622 /nfs/dbraw/zinc/71/26/22/1018712622.db2.gz IXGQFEFVLJTAFQ-IUCAKERBSA-N -1 0 312.326 -0.638 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)NCCn2ccnc2)C1 ZINC001606090776 1018713687 /nfs/dbraw/zinc/71/36/87/1018713687.db2.gz RYHCFBZTLSTPIV-NSHDSACASA-N -1 0 308.338 -0.287 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])n1 ZINC001606082023 1018715012 /nfs/dbraw/zinc/71/50/12/1018715012.db2.gz ZVQGAMRGWWYFJS-SCSAIBSYSA-N -1 0 322.247 -0.345 20 0 DBADRM CN(CC(C)(C)S(C)(=O)=O)[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001606089846 1018715023 /nfs/dbraw/zinc/71/50/23/1018715023.db2.gz DUBOCQGWEOJNGK-JTQLQIEISA-N -1 0 320.411 -0.183 20 0 DBADRM CN(CC(=O)NCC1(C(=O)[O-])CC1)[C@H]1CCS(=O)(=O)C1 ZINC001606080780 1018715485 /nfs/dbraw/zinc/71/54/85/1018715485.db2.gz PILINMGPLMLOML-VIFPVBQESA-N -1 0 304.368 -0.914 20 0 DBADRM CN(C[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)C(C)(C)F ZINC001606095585 1018716458 /nfs/dbraw/zinc/71/64/58/1018716458.db2.gz MWHHINAXISFELU-QMMMGPOBSA-N -1 0 314.317 -0.424 20 0 DBADRM CN(C[C@H](O)CN1CCOC[C@H]1C(=O)[O-])C(=O)OC(C)(C)C ZINC001606094761 1018717758 /nfs/dbraw/zinc/71/77/58/1018717758.db2.gz DCPQBXFWMGVKCF-QWRGUYRKSA-N -1 0 318.370 0.000 20 0 DBADRM O=C([O-])CCN(C(=O)C1=CCS(=O)(=O)C1)C1CCOCC1 ZINC001606182920 1018718568 /nfs/dbraw/zinc/71/85/68/1018718568.db2.gz MIYBZGHEKYZTQJ-UHFFFAOYSA-N -1 0 317.363 -0.177 20 0 DBADRM CN(CC1CCCC1)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001606099559 1018718491 /nfs/dbraw/zinc/71/84/91/1018718491.db2.gz IYITZCGDHDTMAQ-RYUDHWBXSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(CC1CCN(C(=O)C(N)=O)CC1)c1ccnc(C(=O)[O-])n1 ZINC001606101102 1018719407 /nfs/dbraw/zinc/71/94/07/1018719407.db2.gz PCBLSPFAAGISBN-UHFFFAOYSA-N -1 0 321.337 -0.665 20 0 DBADRM CN(c1ccnc(C(=O)[O-])n1)C1CCN(C(=O)C(N)=O)CC1 ZINC001606183691 1018720140 /nfs/dbraw/zinc/72/01/40/1018720140.db2.gz IAILJYSKVBIPLI-UHFFFAOYSA-N -1 0 307.310 -0.913 20 0 DBADRM CN(c1nnnn1CCN1CCOCC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606186402 1018720376 /nfs/dbraw/zinc/72/03/76/1018720376.db2.gz BWUUHQLTUVRRSC-PHIMTYICSA-N -1 0 310.358 -0.695 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@H](C(F)F)C1 ZINC001606105367 1018721787 /nfs/dbraw/zinc/72/17/87/1018721787.db2.gz IABBELWQCFOGGZ-ZETCQYMHSA-N -1 0 302.299 -0.396 20 0 DBADRM CN1CC(=O)Nc2cc(C(=O)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)cnc21 ZINC001606196061 1018721926 /nfs/dbraw/zinc/72/19/26/1018721926.db2.gz AFUPOQGMXFEHHI-GDGBQDQQSA-N -1 0 316.317 -0.128 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])NC1=O ZINC001606197349 1018721950 /nfs/dbraw/zinc/72/19/50/1018721950.db2.gz DIDDXQDSCIDHMH-WDEREUQCSA-N -1 0 307.306 -0.342 20 0 DBADRM CN(CC1(O)CCC1)C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001606109061 1018722503 /nfs/dbraw/zinc/72/25/03/1018722503.db2.gz WXKCXPUIRPWCKG-SNVBAGLBSA-N -1 0 314.338 -0.938 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC001606190343 1018722718 /nfs/dbraw/zinc/72/27/18/1018722718.db2.gz QRLLKMGIKLJWRN-LBPRGKRZSA-N -1 0 322.317 -0.117 20 0 DBADRM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2ccnc(C(=O)[O-])n2)C1=O ZINC001606194173 1018722816 /nfs/dbraw/zinc/72/28/16/1018722816.db2.gz LFNQGWCJPHQQFF-RMLUDKJBSA-N -1 0 319.321 -0.271 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCc1nncn1-c1ccccc1 ZINC001606190213 1018723877 /nfs/dbraw/zinc/72/38/77/1018723877.db2.gz BVGDIACRIOBION-UHFFFAOYSA-N -1 0 317.305 -0.526 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC001606190345 1018724356 /nfs/dbraw/zinc/72/43/56/1018724356.db2.gz QTZCGJVLSGWAON-UHFFFAOYSA-N -1 0 320.349 -0.683 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)Cn2ncc3ccccc32)CC1=O ZINC001606198865 1018725111 /nfs/dbraw/zinc/72/51/11/1018725111.db2.gz ARIKOPJCQOFNPZ-GFCCVEGCSA-N -1 0 316.317 -0.210 20 0 DBADRM Cn1c(Cl)ncc1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001606198850 1018725212 /nfs/dbraw/zinc/72/52/12/1018725212.db2.gz AKDYUXJJJRBKDL-ZETCQYMHSA-N -1 0 300.702 -0.559 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)COCc2cc[nH]c(=O)c2)CC1=O ZINC001606200076 1018725234 /nfs/dbraw/zinc/72/52/34/1018725234.db2.gz MNLGDMPQVGFUPO-JTQLQIEISA-N -1 0 323.305 -0.942 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc(NC(N)=O)cc2)CC1=O ZINC001606200037 1018725896 /nfs/dbraw/zinc/72/58/96/1018725896.db2.gz LFDVZYYYZZGUJI-SNVBAGLBSA-N -1 0 320.305 -0.455 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)Cn1cncn1 ZINC001606121066 1018726081 /nfs/dbraw/zinc/72/60/81/1018726081.db2.gz MKTVHTCFYIMJQY-MNOVXSKESA-N -1 0 323.353 -0.694 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cc(C(F)(F)F)n[nH]2)CC1=O ZINC001606199861 1018726101 /nfs/dbraw/zinc/72/61/01/1018726101.db2.gz JONTVXJNZQIOSI-ZCFIWIBFSA-N -1 0 320.227 -0.204 20 0 DBADRM Cc1nn(Cc2nc(N(C)C)no2)c(=O)c(-c2nnn[n-]2)c1C ZINC001606115737 1018726255 /nfs/dbraw/zinc/72/62/55/1018726255.db2.gz DNDVOYOQUKTLKD-UHFFFAOYSA-N -1 0 317.313 -0.462 20 0 DBADRM CN1C[C@H](C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)NC1=O ZINC001606198608 1018726751 /nfs/dbraw/zinc/72/67/51/1018726751.db2.gz XREYWHOJRYXQFL-RKDXNWHRSA-N -1 0 322.325 -0.837 20 0 DBADRM Cc1nn(CC(=O)N(C)C2CC2)c(=O)c(-c2nnn[n-]2)c1C ZINC001606115316 1018726966 /nfs/dbraw/zinc/72/69/66/1018726966.db2.gz VFNWPYKPWHCSIS-UHFFFAOYSA-N -1 0 303.326 -0.339 20 0 DBADRM Cc1nn(CCn2nc(C)c(C)c(-c3nnn[n-]3)c2=O)c(=O)o1 ZINC001606114584 1018727468 /nfs/dbraw/zinc/72/74/68/1018727468.db2.gz WZKHZIJXNUEVAY-UHFFFAOYSA-N -1 0 318.297 -0.801 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cc(C(F)(F)F)n[nH]2)CC1=O ZINC001606199860 1018727152 /nfs/dbraw/zinc/72/71/52/1018727152.db2.gz JONTVXJNZQIOSI-LURJTMIESA-N -1 0 320.227 -0.204 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(NC(N)=O)cc2)CC1=O ZINC001606200036 1018727629 /nfs/dbraw/zinc/72/76/29/1018727629.db2.gz LFDVZYYYZZGUJI-JTQLQIEISA-N -1 0 320.305 -0.455 20 0 DBADRM CN1C[C@H](C(=O)Nc2nnc(CCCC(=O)[O-])s2)NC1=O ZINC001606197769 1018727644 /nfs/dbraw/zinc/72/76/44/1018727644.db2.gz KOCCCVCCQBYUCD-ZCFIWIBFSA-N -1 0 313.339 -0.093 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc([S@@](C)=O)cc2)CC1=O ZINC001606198936 1018727757 /nfs/dbraw/zinc/72/77/57/1018727757.db2.gz BQZXDMWJWYCRGR-KPWVOAKYSA-N -1 0 324.358 -0.209 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1nc[nH]n1 ZINC001606120543 1018728723 /nfs/dbraw/zinc/72/87/23/1018728723.db2.gz DBNDTQBZGQWKEP-IUCAKERBSA-N -1 0 309.326 -0.554 20 0 DBADRM CN(CCCCCO)C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001606117470 1018728997 /nfs/dbraw/zinc/72/89/97/1018728997.db2.gz QSFDSFWJEHLWEW-ZETOZRRWSA-N -1 0 312.366 -0.023 20 0 DBADRM CN1C[C@@H](OC(=O)CCCN2C(=O)CCC2=O)C[C@H]1C(=O)[O-] ZINC001606204832 1018729729 /nfs/dbraw/zinc/72/97/29/1018729729.db2.gz IZNLAQJJNVUIGJ-UWVGGRQHSA-N -1 0 312.322 -0.384 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(Cc2nc(CC(F)(F)F)no2)CC1=O ZINC001606202841 1018730065 /nfs/dbraw/zinc/73/00/65/1018730065.db2.gz JPHPJEZVORVJRG-ZCFIWIBFSA-N -1 0 322.243 -0.098 20 0 DBADRM CN(CCCNC(=O)[C@H]1CCC(=O)N1)c1ccnc(C(=O)[O-])n1 ZINC001606122463 1018731477 /nfs/dbraw/zinc/73/14/77/1018731477.db2.gz RSFLMSLRVTXQRP-SECBINFHSA-N -1 0 321.337 -0.604 20 0 DBADRM CN(CCCNC(=O)c1nnc[n-]1)c1cc[nH+]c(C(=O)[O-])n1 ZINC001606122317 1018731633 /nfs/dbraw/zinc/73/16/33/1018731633.db2.gz MWXKBGUDJJFMTK-UHFFFAOYSA-N -1 0 305.298 -0.451 20 0 DBADRM CN(CCOCCO)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001606134969 1018738845 /nfs/dbraw/zinc/73/88/45/1018738845.db2.gz LKEDAUNWXJGADY-UHFFFAOYSA-N -1 0 304.324 -0.591 20 0 DBADRM O=C([O-])CCCC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001606137932 1018738863 /nfs/dbraw/zinc/73/88/63/1018738863.db2.gz RKXVATUMJWOZLJ-SECBINFHSA-N -1 0 320.367 -0.949 20 0 DBADRM CN(CCCNC(=O)c1cnon1)c1ncc(C(=O)[O-])cn1 ZINC001606122200 1018732954 /nfs/dbraw/zinc/73/29/54/1018732954.db2.gz LNXRCNVJROURCF-UHFFFAOYSA-N -1 0 306.282 -0.186 20 0 DBADRM CN(CCCO)C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001606122826 1018733228 /nfs/dbraw/zinc/73/32/28/1018733228.db2.gz YFRYRGGWBUVRKA-LBPRGKRZSA-N -1 0 322.317 -0.294 20 0 DBADRM CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)C1(C(N)=O)CC1 ZINC001606122807 1018733717 /nfs/dbraw/zinc/73/37/17/1018733717.db2.gz XRCOTIDQIACVND-UHFFFAOYSA-N -1 0 321.337 -0.877 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)C[C@H]1CCC(=O)N1 ZINC001606132985 1018735631 /nfs/dbraw/zinc/73/56/31/1018735631.db2.gz KPMOFLZSJSNOHT-SNVBAGLBSA-N -1 0 321.337 -0.286 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@@H](O)C2CCC2)c(-c2nnn[n-]2)c1=O ZINC001606205677 1018735806 /nfs/dbraw/zinc/73/58/06/1018735806.db2.gz HWWPZOREQRBPHT-SSDOTTSWSA-N -1 0 307.314 -0.761 20 0 DBADRM CN1CC[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])CC1=O ZINC001606209535 1018736113 /nfs/dbraw/zinc/73/61/13/1018736113.db2.gz WMWDAAYZXMGYFJ-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1C[C@H](OC(=O)[C@H]2CCCCS2(=O)=O)C[C@H]1C(=O)[O-] ZINC001606206819 1018736396 /nfs/dbraw/zinc/73/63/96/1018736396.db2.gz ZDNXQUISCUDIIL-KXUCPTDWSA-N -1 0 305.352 -0.346 20 0 DBADRM CN(CCOCCO)S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001606135107 1018736489 /nfs/dbraw/zinc/73/64/89/1018736489.db2.gz OWKNEECXNGCAJW-UHFFFAOYSA-N -1 0 309.384 -0.098 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2CCOC2(C)C)c(-c2nnn[n-]2)c1=O ZINC001606206174 1018736485 /nfs/dbraw/zinc/73/64/85/1018736485.db2.gz SXPZHELVILPNHC-ZCFIWIBFSA-N -1 0 307.314 -0.355 20 0 DBADRM O=C([O-])CN(C(=O)[C@@H]1CCc2nncn2C1)C1CCOCC1 ZINC001606216522 1018741129 /nfs/dbraw/zinc/74/11/29/1018741129.db2.gz ZXXNRJZIRXNFCH-SNVBAGLBSA-N -1 0 308.338 -0.067 20 0 DBADRM CN1CC[C@@H](NC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001606216079 1018741505 /nfs/dbraw/zinc/74/15/05/1018741505.db2.gz OLEYNJXQYANDNF-DTWKUNHWSA-N -1 0 322.325 -0.837 20 0 DBADRM CN1CC[C@@H](C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1=O ZINC001606212566 1018742334 /nfs/dbraw/zinc/74/23/34/1018742334.db2.gz POLWTRZJPCVPDB-NSHDSACASA-N -1 0 319.317 -0.082 20 0 DBADRM O=C([O-])CN(C(=O)[C@@H]1CCCS(=O)(=O)C1)C1CCOCC1 ZINC001606216231 1018742946 /nfs/dbraw/zinc/74/29/46/1018742946.db2.gz PBQOWLYFUWANDJ-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])CCCCCNC(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC001606147703 1018743737 /nfs/dbraw/zinc/74/37/37/1018743737.db2.gz XYYKJRWISYXAMA-TUAOUCFPSA-N -1 0 312.366 -0.023 20 0 DBADRM CN(Cc1cccnc1)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001606170926 1018743816 /nfs/dbraw/zinc/74/38/16/1018743816.db2.gz JTUGQBMLTWQHLF-NEPJUHHUSA-N -1 0 321.333 -0.666 20 0 DBADRM CN1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001606218436 1018744182 /nfs/dbraw/zinc/74/41/82/1018744182.db2.gz FLLMOLZLKSNRNW-VXGBXAGGSA-N -1 0 311.382 -0.090 20 0 DBADRM CN(Cc1cccnc1)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001606170930 1018745191 /nfs/dbraw/zinc/74/51/91/1018745191.db2.gz JTUGQBMLTWQHLF-RYUDHWBXSA-N -1 0 321.333 -0.666 20 0 DBADRM O=C([O-])CN(C(=O)c1nc2ncc(CCO)cn2n1)C1CCC1 ZINC001606221032 1018747587 /nfs/dbraw/zinc/74/75/87/1018747587.db2.gz MZNSCGBTCQTIEG-UHFFFAOYSA-N -1 0 319.321 -0.262 20 0 DBADRM CN1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001606218341 1018748223 /nfs/dbraw/zinc/74/82/23/1018748223.db2.gz DEMYKNPENQYIES-LLVKDONJSA-N -1 0 321.333 -0.091 20 0 DBADRM O=C([O-])CN(CC1CC1)C(=O)CCN1CCCS1(=O)=O ZINC001606227296 1018751218 /nfs/dbraw/zinc/75/12/18/1018751218.db2.gz JVZXFQYSRVNGFC-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM CN1CCC[C@@H](C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)C1=O ZINC001606222961 1018752733 /nfs/dbraw/zinc/75/27/33/1018752733.db2.gz LCFBBUYTNZZKPN-ZJUUUORDSA-N -1 0 312.322 -0.526 20 0 DBADRM CN1CCC[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCC2)C1=O ZINC001606225727 1018753794 /nfs/dbraw/zinc/75/37/94/1018753794.db2.gz AHANWAJMBVNQOU-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])CN1CC[C@H](N(CCCO)Cc2ccccn2)C1=O ZINC001606231663 1018756038 /nfs/dbraw/zinc/75/60/38/1018756038.db2.gz LBLUEEJAAKEWAY-ZDUSSCGKSA-N -1 0 307.350 -0.049 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)C1=O ZINC001606231014 1018758591 /nfs/dbraw/zinc/75/85/91/1018758591.db2.gz BEMXKSOSPVAQPY-WPRPVWTQSA-N -1 0 322.321 -0.637 20 0 DBADRM CN1CCN(C(=O)C[C@H]2CCCS2(=O)=O)C[C@H](C(=O)[O-])C1 ZINC001606229407 1018760792 /nfs/dbraw/zinc/76/07/92/1018760792.db2.gz XPXRMACYDRAOCU-GHMZBOCLSA-N -1 0 318.395 -0.572 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCN(c3ncc(F)cn3)CC2)C1=O ZINC001606232415 1018761143 /nfs/dbraw/zinc/76/11/43/1018761143.db2.gz VAEQVTQUIXIEQL-LLVKDONJSA-N -1 0 323.328 -0.577 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC(=O)N(CCC(F)(F)F)C2)C1=O ZINC001606232041 1018761538 /nfs/dbraw/zinc/76/15/38/1018761538.db2.gz OXHAJLIHVDDTTI-QMMMGPOBSA-N -1 0 323.271 -0.274 20 0 DBADRM CN1CCN(C(=O)CNC(=O)CCSCC(=O)[O-])CC1 ZINC001606233248 1018763597 /nfs/dbraw/zinc/76/35/97/1018763597.db2.gz IOMXTYKPXPLNGM-UHFFFAOYSA-N -1 0 303.384 -0.916 20 0 DBADRM CN1CCN(C(=O)CNC(=O)c2csc(C(=O)[O-])n2)CC1 ZINC001606232869 1018763946 /nfs/dbraw/zinc/76/39/46/1018763946.db2.gz CGDKMOPOFBABDS-UHFFFAOYSA-N -1 0 312.351 -0.655 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001606260377 1018787790 /nfs/dbraw/zinc/78/77/90/1018787790.db2.gz WXORGHPXDFXBJG-LURJTMIESA-N -1 0 304.299 -0.063 20 0 DBADRM O=C([O-])CN1CC[C@H](N2C(=O)N=NC2c2cccnc2)C1=O ZINC001606247800 1018775522 /nfs/dbraw/zinc/77/55/22/1018775522.db2.gz KBDCVBLTHJOBAW-VIFPVBQESA-N -1 0 303.278 -0.096 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)COCc2ccncc2)C1=O ZINC001606248002 1018775874 /nfs/dbraw/zinc/77/58/74/1018775874.db2.gz MCDOLEAAFLUASR-LLVKDONJSA-N -1 0 308.290 -0.173 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C1 ZINC001606248594 1018775985 /nfs/dbraw/zinc/77/59/85/1018775985.db2.gz CJKHJTDGOPKQRM-QJPTWQEYSA-N -1 0 320.411 -0.120 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001606249157 1018776202 /nfs/dbraw/zinc/77/62/02/1018776202.db2.gz GXGKQJHTKPPNNM-ILDUYXDCSA-N -1 0 306.384 -0.510 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)C1=O ZINC001606247727 1018776317 /nfs/dbraw/zinc/77/63/17/1018776317.db2.gz IFSHNFXRROQOTM-JIROBOQZSA-N -1 0 324.377 -0.071 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001606248851 1018776900 /nfs/dbraw/zinc/77/69/00/1018776900.db2.gz CVBBVXKOHPCFBP-WDEREUQCSA-N -1 0 301.343 -0.798 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@H](c3ncon3)C2)C1=O ZINC001606247354 1018777654 /nfs/dbraw/zinc/77/76/54/1018777654.db2.gz FXOJTJOKJGJOAX-UWVGGRQHSA-N -1 0 322.321 -0.291 20 0 DBADRM CN1CCO[C@H](C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)C1=O ZINC001606246866 1018777964 /nfs/dbraw/zinc/77/79/64/1018777964.db2.gz AHDLVAJJSUKLDQ-NEPJUHHUSA-N -1 0 320.301 -0.278 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCCCc2nnc[nH]2)C1=O ZINC001606250108 1018779155 /nfs/dbraw/zinc/77/91/55/1018779155.db2.gz JAHSDBPWJLLYOR-SECBINFHSA-N -1 0 309.326 -0.823 20 0 DBADRM CN1CCOC[C@@]1(CO)CNC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606250780 1018779588 /nfs/dbraw/zinc/77/95/88/1018779588.db2.gz QWUFGGFTOFVEQE-AWEZNQCLSA-N -1 0 324.337 -0.406 20 0 DBADRM CN1CCOC[C@@H]1CNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001606251635 1018779599 /nfs/dbraw/zinc/77/95/99/1018779599.db2.gz YJLBSYJEQKCSFX-JTQLQIEISA-N -1 0 306.384 -0.509 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C1=O ZINC001606252382 1018779710 /nfs/dbraw/zinc/77/97/10/1018779710.db2.gz XVVTVBFNJOFWIO-XGEMBROFSA-N -1 0 322.361 -0.151 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@@H]3COC[C@@H]3C2)C1=O ZINC001606252358 1018781149 /nfs/dbraw/zinc/78/11/49/1018781149.db2.gz XNLOKZOWWXJDLB-WOPDTQHZSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCc2nnc(C3CC3)[nH]2)C1=O ZINC001606253212 1018782302 /nfs/dbraw/zinc/78/23/02/1018782302.db2.gz MEUNSJLVXQUFLF-SECBINFHSA-N -1 0 321.337 -0.379 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)N2CCC[C@H]2CO)C1=O ZINC001606258534 1018782929 /nfs/dbraw/zinc/78/29/29/1018782929.db2.gz WLVCZWKJFDRTPB-WDEREUQCSA-N -1 0 313.354 -0.382 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)N[C@H]2C[C@H](CO)C2)C1=O ZINC001606255612 1018783482 /nfs/dbraw/zinc/78/34/82/1018783482.db2.gz PLSPEJLAIPPNCK-GMTAPVOTSA-N -1 0 313.354 -0.478 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)N[C@H](CO)CCF)C1=O ZINC001606257695 1018783572 /nfs/dbraw/zinc/78/35/72/1018783572.db2.gz OPOALHOIKZISCH-VHSXEESVSA-N -1 0 319.333 -0.528 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1=O ZINC001606253659 1018784040 /nfs/dbraw/zinc/78/40/40/1018784040.db2.gz VKRCYVYSIABXFX-ZTHPDXAWSA-N -1 0 308.334 -0.398 20 0 DBADRM CNC(=O)C1(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)CCC1 ZINC001606261680 1018785053 /nfs/dbraw/zinc/78/50/53/1018785053.db2.gz VTYQOAWGXWTKBS-UHFFFAOYSA-N -1 0 306.322 -0.050 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001606260357 1018786503 /nfs/dbraw/zinc/78/65/03/1018786503.db2.gz VZZGTTTZPURNCM-QMMMGPOBSA-N -1 0 315.351 -0.218 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001606264141 1018787370 /nfs/dbraw/zinc/78/73/70/1018787370.db2.gz VOMVCBUCLLWTJB-YTWAJWBKSA-N -1 0 313.354 -0.622 20 0 DBADRM CNC(=O)C1(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CCOCC1 ZINC001606264618 1018788080 /nfs/dbraw/zinc/78/80/80/1018788080.db2.gz ZJXVCYRLAGQDCI-OPRDCNLKSA-N -1 0 314.338 -0.724 20 0 DBADRM CNC(=O)[C@]1(C)CCN(Cn2nc(C(=O)[O-])cc2C(=O)OC)C1 ZINC001606263300 1018788318 /nfs/dbraw/zinc/78/83/18/1018788318.db2.gz JSBXNOLVLGDOEK-CQSZACIVSA-N -1 0 324.337 -0.217 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001606267125 1018789862 /nfs/dbraw/zinc/78/98/62/1018789862.db2.gz OOSPFERARTZGHN-UHFFFAOYSA-N -1 0 323.305 -0.416 20 0 DBADRM CNC(=O)CCNc1ncnc(NCCC(=O)NC)c1C(=O)[O-] ZINC001606267254 1018790953 /nfs/dbraw/zinc/79/09/53/1018790953.db2.gz UXNDYYWQWPKKFF-UHFFFAOYSA-N -1 0 324.341 -0.729 20 0 DBADRM CNC(=O)[C@H]1CN(c2cc(C)nc3nc(C(=O)[O-])nn32)CCO1 ZINC001606266095 1018790992 /nfs/dbraw/zinc/79/09/92/1018790992.db2.gz IHAQVUZZZREZEK-MRVPVSSYSA-N -1 0 320.309 -0.918 20 0 DBADRM CNC(=O)CCCN(C)S(=O)(=O)c1scnc1C(=O)[O-] ZINC001606269753 1018792380 /nfs/dbraw/zinc/79/23/80/1018792380.db2.gz PUPXOONNIHVRNI-UHFFFAOYSA-N -1 0 321.380 -0.012 20 0 DBADRM CNC(=O)CN1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])CC2 ZINC001606271559 1018795496 /nfs/dbraw/zinc/79/54/96/1018795496.db2.gz VORNLXFQSSARDD-QWRGUYRKSA-N -1 0 309.366 -0.623 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001606273607 1018798429 /nfs/dbraw/zinc/79/84/29/1018798429.db2.gz QFQREWFPQFMAES-UHFFFAOYSA-N -1 0 315.232 -0.536 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)cn1 ZINC001606277295 1018798983 /nfs/dbraw/zinc/79/89/83/1018798983.db2.gz INXTYIAGRWQZMJ-GXSJLCMTSA-N -1 0 324.337 -0.163 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC001606279249 1018800567 /nfs/dbraw/zinc/80/05/67/1018800567.db2.gz DTYMHMRSSQQPDN-CYBMUJFWSA-N -1 0 320.345 -0.123 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCOC[C@H]1C1CCC1 ZINC001606279503 1018800920 /nfs/dbraw/zinc/80/09/20/1018800920.db2.gz WEGODCTZTAIJSO-NSHDSACASA-N -1 0 314.338 -0.769 20 0 DBADRM CNC(=O)COc1cccc(CC(=O)N[C@H](CF)C(=O)[O-])c1 ZINC001606275828 1018801072 /nfs/dbraw/zinc/80/10/72/1018801072.db2.gz ZODNAPMUJFQAMF-LLVKDONJSA-N -1 0 312.297 -0.107 20 0 DBADRM CNC(=O)NCC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001606281053 1018802185 /nfs/dbraw/zinc/80/21/85/1018802185.db2.gz MTKRYWMREFOTHE-VIFPVBQESA-N -1 0 322.325 -0.883 20 0 DBADRM CNC(=O)N[C@H]1CCN(S(=O)(=O)CCCCCC(=O)[O-])C1 ZINC001606282438 1018802211 /nfs/dbraw/zinc/80/22/11/1018802211.db2.gz ZMWSLCNOFOAHQE-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM CNC(=O)N[C@@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001606282050 1018802653 /nfs/dbraw/zinc/80/26/53/1018802653.db2.gz WCLOGUWGITUWBI-SECBINFHSA-N -1 0 319.383 -0.426 20 0 DBADRM CNC(=O)c1cccc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)n1 ZINC001606288266 1018803253 /nfs/dbraw/zinc/80/32/53/1018803253.db2.gz UOANUCLFYYHWPQ-CQSZACIVSA-N -1 0 307.306 -0.338 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001606283727 1018803403 /nfs/dbraw/zinc/80/34/03/1018803403.db2.gz JTVSFIKPKJYZAG-SQNUNTJVSA-N -1 0 306.322 -0.562 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)n1 ZINC001606287947 1018804066 /nfs/dbraw/zinc/80/40/66/1018804066.db2.gz NFOBHUXOUDDPON-AWEZNQCLSA-N -1 0 307.306 -0.195 20 0 DBADRM O=C([O-])CS(=O)(=O)CCn1nnc(-c2cccs2)n1 ZINC001606296871 1018804699 /nfs/dbraw/zinc/80/46/99/1018804699.db2.gz OEKDXUHTCIYOGK-UHFFFAOYSA-N -1 0 302.337 -0.099 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN(CCO)Cc1cccnc1 ZINC001606291646 1018805003 /nfs/dbraw/zinc/80/50/03/1018805003.db2.gz WAHMCKVSAPUAET-UHFFFAOYSA-N -1 0 302.352 -0.625 20 0 DBADRM CN[C@H](C(=O)N[C@@H](Cc1cncs1)C(=O)[O-])c1cnn(C)c1 ZINC001606292710 1018805015 /nfs/dbraw/zinc/80/50/15/1018805015.db2.gz QMXNOUQBJNWTSB-QWRGUYRKSA-N -1 0 323.378 -0.051 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCOC[C@@H]1[C@H]1CCCO1 ZINC001606296258 1018805660 /nfs/dbraw/zinc/80/56/60/1018805660.db2.gz ATUTZSUUYJWVBP-GHMZBOCLSA-N -1 0 307.368 -0.634 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CC[C@H](CN2CCOC2=O)C1 ZINC001606291608 1018805677 /nfs/dbraw/zinc/80/56/77/1018805677.db2.gz SZQFEVWNEJQDDL-JTQLQIEISA-N -1 0 320.367 -0.740 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001606292179 1018805777 /nfs/dbraw/zinc/80/57/77/1018805777.db2.gz GCXKNBMDPPKYQO-ZETCQYMHSA-N -1 0 310.314 -0.213 20 0 DBADRM CN[C@@H](C(=O)N[C@H](Cc1cncs1)C(=O)[O-])c1cnn(C)c1 ZINC001606292708 1018805817 /nfs/dbraw/zinc/80/58/17/1018805817.db2.gz QMXNOUQBJNWTSB-GHMZBOCLSA-N -1 0 323.378 -0.051 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001606302163 1018806060 /nfs/dbraw/zinc/80/60/60/1018806060.db2.gz BBQJQDVZQDLUNY-PTRXPTGYSA-N -1 0 319.383 -0.522 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)c1c(C)coc1CC(=O)[O-] ZINC001606302430 1018806155 /nfs/dbraw/zinc/80/61/55/1018806155.db2.gz HRELUGIIUCNPSP-UHFFFAOYSA-N -1 0 318.351 -0.116 20 0 DBADRM CNS(=O)(=O)CCNC(=O)c1c(C)coc1CC(=O)[O-] ZINC001606301325 1018806175 /nfs/dbraw/zinc/80/61/75/1018806175.db2.gz BOZASIJKLBJGII-UHFFFAOYSA-N -1 0 304.324 -0.506 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(C(=O)[O-])co2)C1 ZINC001606298699 1018806349 /nfs/dbraw/zinc/80/63/49/1018806349.db2.gz CZHHIEAMJZFMNF-QMMMGPOBSA-N -1 0 302.308 -0.259 20 0 DBADRM CNS(=O)(=O)NC1CCN(c2cncc(C(=O)[O-])n2)CC1 ZINC001606301805 1018806892 /nfs/dbraw/zinc/80/68/92/1018806892.db2.gz OUQJSZLXHHLGHY-UHFFFAOYSA-N -1 0 315.355 -0.803 20 0 DBADRM O=C([O-])CSCC(=O)NCC12COCCN1CCOC2 ZINC001606300514 1018807112 /nfs/dbraw/zinc/80/71/12/1018807112.db2.gz JUACQMUHRGEUAO-UHFFFAOYSA-N -1 0 304.368 -0.978 20 0 DBADRM CNS(=O)(=O)CCNC(=O)NCc1cc(C(=O)[O-])co1 ZINC001606301646 1018807295 /nfs/dbraw/zinc/80/72/95/1018807295.db2.gz LXMVEMZLUDIEJF-UHFFFAOYSA-N -1 0 305.312 -0.674 20 0 DBADRM CNc1nc(C)ccc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001606314656 1018807541 /nfs/dbraw/zinc/80/75/41/1018807541.db2.gz VTSLYMVOZDXGDQ-JTQLQIEISA-N -1 0 306.322 -0.153 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@H](C)/C=C/C(=O)[O-])co1 ZINC001606303690 1018807914 /nfs/dbraw/zinc/80/79/14/1018807914.db2.gz RZUFPPQNUUTNQT-KGGZQZJCSA-N -1 0 302.308 -0.053 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)NC[C@H](F)C(=O)[O-])c1 ZINC001606306589 1018808102 /nfs/dbraw/zinc/80/81/02/1018808102.db2.gz RFPHCYYFLMWPHZ-VIFPVBQESA-N -1 0 304.299 -0.253 20 0 DBADRM COC(=O)[C@H](C)OC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)O[C@@H](C)C(=O)[O-] ZINC001606321231 1018809800 /nfs/dbraw/zinc/80/98/00/1018809800.db2.gz DIRUTSNTNOLXNL-QMGXLNLGSA-N -1 0 302.279 -0.011 20 0 DBADRM COC(=O)[C@H](C)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606321194 1018809893 /nfs/dbraw/zinc/80/98/93/1018809893.db2.gz CVZPOOPDFVTZNC-SSDOTTSWSA-N -1 0 309.278 -0.356 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CN1CSCCSC1 ZINC001606323582 1018809926 /nfs/dbraw/zinc/80/99/26/1018809926.db2.gz KTHLLMWQHUIQGI-QMMMGPOBSA-N -1 0 322.408 -0.184 20 0 DBADRM COC(=O)[C@@](C)(CO)NCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606318248 1018810192 /nfs/dbraw/zinc/81/01/92/1018810192.db2.gz JDXROYQYFQHJSW-CYBMUJFWSA-N -1 0 311.294 -0.768 20 0 DBADRM COC(=O)[C@H](CNS(=O)(=O)C[C@@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC001606329158 1018810560 /nfs/dbraw/zinc/81/05/60/1018810560.db2.gz CDQSWBNJGDEEBR-KXUCPTDWSA-N -1 0 323.367 -0.548 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)C[C@H]1CCCOC1 ZINC001606324191 1018810634 /nfs/dbraw/zinc/81/06/34/1018810634.db2.gz AEGKGEJMGLOSKH-IUCAKERBSA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001606325119 1018811669 /nfs/dbraw/zinc/81/16/69/1018811669.db2.gz IJUWVOCRTVLBJG-PHDIDXHHSA-N -1 0 303.283 -0.177 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1cc(C(=O)[O-])cn1)c1ccn(C)n1 ZINC001606332879 1018812165 /nfs/dbraw/zinc/81/21/65/1018812165.db2.gz PQKRRRJELVAMLU-NSHDSACASA-N -1 0 321.293 -0.655 20 0 DBADRM O=C([O-])Cn1cc(C(=O)O[C@H]2CCN(CC(F)F)C2)nn1 ZINC001606338865 1018812264 /nfs/dbraw/zinc/81/22/64/1018812264.db2.gz AXKVPANWTCTHSG-ZETCQYMHSA-N -1 0 304.253 -0.141 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@H]2CCCN2CC(F)F)nn1 ZINC001606331776 1018812353 /nfs/dbraw/zinc/81/23/53/1018812353.db2.gz WFYFBHILUNEVKO-MRVPVSSYSA-N -1 0 317.296 -0.178 20 0 DBADRM O=C([O-])Cn1cc(COC(=O)[C@@H]2CCc3n[nH]cc3C2)nn1 ZINC001606339065 1018812764 /nfs/dbraw/zinc/81/27/64/1018812764.db2.gz KWPJUNCGDHBUJH-MRVPVSSYSA-N -1 0 305.294 -0.066 20 0 DBADRM COC(=O)[C@@H](NC(=O)COCc1ocnc1C(=O)[O-])C1CC1 ZINC001606332406 1018812788 /nfs/dbraw/zinc/81/27/88/1018812788.db2.gz MLAGHPFMQMJQDN-JTQLQIEISA-N -1 0 312.278 -0.043 20 0 DBADRM O=C([O-])Cn1cc(C(=O)Nc2ccc(OCCO)cc2)nn1 ZINC001606331770 1018812998 /nfs/dbraw/zinc/81/29/98/1018812998.db2.gz VXBSYAVYVIMNSC-UHFFFAOYSA-N -1 0 306.278 -0.014 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)CCC1 ZINC001606352092 1018814505 /nfs/dbraw/zinc/81/45/05/1018814505.db2.gz UNHTXFZSIMWRPM-GFCCVEGCSA-N -1 0 321.351 -0.819 20 0 DBADRM COC(=O)[C@@]1(F)CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1 ZINC001606352221 1018814621 /nfs/dbraw/zinc/81/46/21/1018814621.db2.gz ZMYRLGALDPFTRA-GXFFZTMASA-N -1 0 304.318 -0.201 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NC[C@@H](O)CC(=O)[O-])CCCC1 ZINC001606352219 1018814651 /nfs/dbraw/zinc/81/46/51/1018814651.db2.gz ZILDPHXVQNDAOJ-VIFPVBQESA-N -1 0 323.367 -0.525 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@H](CO)[C@@H]2CCOC2)c1=O ZINC001606355314 1018816087 /nfs/dbraw/zinc/81/60/87/1018816087.db2.gz OSMBDGNOGCXLPU-MWLCHTKSSA-N -1 0 310.306 -0.940 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)Nc2cc(C(=O)[O-])n(C)n2)C1 ZINC001606357061 1018816707 /nfs/dbraw/zinc/81/67/07/1018816707.db2.gz NEZTWWCXTXOERC-GFCCVEGCSA-N -1 0 312.282 -0.740 20 0 DBADRM COC(=O)C1=CC[C@@H](n2nnnc2N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1 ZINC001606359267 1018817015 /nfs/dbraw/zinc/81/70/15/1018817015.db2.gz PCVSFOSEKJWUOB-ZNSHCXBVSA-N -1 0 319.321 -0.126 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)c1ccccc1 ZINC001606362587 1018817105 /nfs/dbraw/zinc/81/71/05/1018817105.db2.gz TWIUKHNLAREEKA-MXWKQRLJSA-N -1 0 301.320 -0.509 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001606368943 1018817334 /nfs/dbraw/zinc/81/73/34/1018817334.db2.gz AEXSJXLMLDDATE-GMSGAONNSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@H]1CC(=O)N(CN2CCSC[C@H](C(=O)[O-])C2)C1 ZINC001606374336 1018817479 /nfs/dbraw/zinc/81/74/79/1018817479.db2.gz ZDDZZBPLDUBSIO-VHSXEESVSA-N -1 0 316.379 -0.285 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN1CCOC1=O ZINC001606369546 1018817593 /nfs/dbraw/zinc/81/75/93/1018817593.db2.gz DWQIELCRNAOMAH-BDAKNGLRSA-N -1 0 314.294 -0.697 20 0 DBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001606374324 1018817842 /nfs/dbraw/zinc/81/78/42/1018817842.db2.gz ZAXZEMPNYXKATQ-IUCAKERBSA-N -1 0 323.367 -0.575 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN1CCOC1=O ZINC001606369547 1018818296 /nfs/dbraw/zinc/81/82/96/1018818296.db2.gz DWQIELCRNAOMAH-DTWKUNHWSA-N -1 0 314.294 -0.697 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001606378197 1018818776 /nfs/dbraw/zinc/81/87/76/1018818776.db2.gz OZBVCFFPBGZYLY-VPOLOUISSA-N -1 0 315.322 -0.202 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCCC(N)=O ZINC001606383748 1018819090 /nfs/dbraw/zinc/81/90/90/1018819090.db2.gz JNSHXLFLBHONTE-ZJUUUORDSA-N -1 0 314.338 -0.103 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@H]1CCCC(=O)N1 ZINC001606383076 1018819415 /nfs/dbraw/zinc/81/94/15/1018819415.db2.gz BCKFQPSJKXJKPB-OPRDCNLKSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(OC)ncn1 ZINC001606383640 1018819517 /nfs/dbraw/zinc/81/95/17/1018819517.db2.gz IBWSMLUUJBDNKW-WPRPVWTQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001606376026 1018819812 /nfs/dbraw/zinc/81/98/12/1018819812.db2.gz VADFNRHBCXYFTE-MWLCHTKSSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1 ZINC001606377931 1018819945 /nfs/dbraw/zinc/81/99/45/1018819945.db2.gz NPHQKKLRSHDSKZ-NHCYSSNCSA-N -1 0 316.354 -0.932 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@@H]1COCCO1 ZINC001606383336 1018819978 /nfs/dbraw/zinc/81/99/78/1018819978.db2.gz DTGIRRYBKJTNKV-UTLUCORTSA-N -1 0 301.295 -0.733 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCCCC(N)=O)C1 ZINC001606388468 1018820373 /nfs/dbraw/zinc/82/03/73/1018820373.db2.gz NNOWZUITWKYNGX-ZJUUUORDSA-N -1 0 314.338 -0.103 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCO[C@@H]1CCOC1 ZINC001606387939 1018820436 /nfs/dbraw/zinc/82/04/36/1018820436.db2.gz ACJNVNQYMIRRHZ-ZJUUUORDSA-N -1 0 308.356 -0.825 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1Cc1nnc2n1CCOC2 ZINC001606391456 1018820477 /nfs/dbraw/zinc/82/04/77/1018820477.db2.gz WWKIBTYXYYYAIR-VHSXEESVSA-N -1 0 324.337 -0.354 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)CCCCC(N)=O)C1 ZINC001606388466 1018820704 /nfs/dbraw/zinc/82/07/04/1018820704.db2.gz NNOWZUITWKYNGX-VHSXEESVSA-N -1 0 314.338 -0.103 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC1(c2ncon2)CC1 ZINC001606387947 1018820752 /nfs/dbraw/zinc/82/07/52/1018820752.db2.gz ANWRNJOLAHJIMO-ZETCQYMHSA-N -1 0 302.312 -0.558 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1nnc2n1CCOC2 ZINC001606391457 1018820910 /nfs/dbraw/zinc/82/09/10/1018820910.db2.gz WWKIBTYXYYYAIR-ZJUUUORDSA-N -1 0 324.337 -0.354 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(CO)on2)C1 ZINC001606393931 1018821997 /nfs/dbraw/zinc/82/19/97/1018821997.db2.gz WOTCXJDFDSTAPC-XCBNKYQSSA-N -1 0 312.278 -0.355 20 0 DBADRM COC(=O)C1CCC(NC(=O)[C@@H](C)NC(C)=O)(C(=O)[O-])CC1 ZINC001606397393 1018822110 /nfs/dbraw/zinc/82/21/10/1018822110.db2.gz VVKGKAMOJPAKGC-CCMBEOLZSA-N -1 0 314.338 -0.186 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@H](C(=O)[O-])C1 ZINC001606402800 1018823734 /nfs/dbraw/zinc/82/37/34/1018823734.db2.gz BGSMIJIDWOKBMV-AEJSXWLSSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@@H](C(=O)[O-])C1 ZINC001606402803 1018824201 /nfs/dbraw/zinc/82/42/01/1018824201.db2.gz BGSMIJIDWOKBMV-OPRDCNLKSA-N -1 0 312.322 -0.623 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001606410007 1018827058 /nfs/dbraw/zinc/82/70/58/1018827058.db2.gz OHRVUFUKNFQISJ-ZJUUUORDSA-N -1 0 302.294 -0.212 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2ccc(=O)n(C)c2)[C@@H](C(=O)[O-])C1 ZINC001606406879 1018827152 /nfs/dbraw/zinc/82/71/52/1018827152.db2.gz JQIYKPKLTJLCJF-MWLCHTKSSA-N -1 0 322.317 -0.136 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC(O)CC2)C[C@H]1C1CC1 ZINC001606415012 1018828136 /nfs/dbraw/zinc/82/81/36/1018828136.db2.gz BASSQWNTOPYDBW-NWDGAFQWSA-N -1 0 310.350 -0.461 20 0 DBADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001606414799 1018828145 /nfs/dbraw/zinc/82/81/45/1018828145.db2.gz YCPIMKMUZMGORH-LURJTMIESA-N -1 0 303.296 -0.709 20 0 DBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)C2COC2)[C@H](C(=O)[O-])C1 ZINC001606413506 1018828722 /nfs/dbraw/zinc/82/87/22/1018828722.db2.gz CPCHWFHKVWJGAT-APPZFPTMSA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H](CC(C)C)C(N)=O)C[C@H]1C(=O)[O-] ZINC001606415668 1018828781 /nfs/dbraw/zinc/82/87/81/1018828781.db2.gz HVTARWAPANXPQZ-OPRDCNLKSA-N -1 0 314.338 -0.534 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)/C(C)=C\C(=O)N1CC[C@H]1C(=O)[O-] ZINC001606415917 1018829450 /nfs/dbraw/zinc/82/94/50/1018829450.db2.gz JWLVXMJKFYSZBF-OWSSEVEYSA-N -1 0 310.306 -0.608 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N(C)C(C)C)C[C@H]1C(=O)[O-] ZINC001606417858 1018829491 /nfs/dbraw/zinc/82/94/91/1018829491.db2.gz SUWNFYMCXAHHKK-BDAKNGLRSA-N -1 0 300.311 -0.815 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(C)C2=O)C[C@@H]1C(=O)[O-] ZINC001606417796 1018829608 /nfs/dbraw/zinc/82/96/08/1018829608.db2.gz SLGQBNMIZSPNFV-LPEHRKFASA-N -1 0 312.322 -0.813 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@]2(O)CCSC2)C[C@@H]1C(=O)[O-] ZINC001606418129 1018829666 /nfs/dbraw/zinc/82/96/66/1018829666.db2.gz WAZJRGYCIIIXEW-SXMVTHIZSA-N -1 0 303.336 -0.813 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@@H]1C(=O)[O-] ZINC001606417999 1018829702 /nfs/dbraw/zinc/82/97/02/1018829702.db2.gz VHRIJELVNXJZII-DVVUODLYSA-N -1 0 321.333 -0.153 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)C[C@H]1C(=O)[O-] ZINC001606418002 1018829864 /nfs/dbraw/zinc/82/98/64/1018829864.db2.gz VHRIJELVNXJZII-JMJZKYOTSA-N -1 0 321.333 -0.153 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@@H]1C(=O)[O-] ZINC001606422188 1018830851 /nfs/dbraw/zinc/83/08/51/1018830851.db2.gz NGICGLGSSBIEAX-DTWKUNHWSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2nc(C)no2)C[C@@H]1C(=O)[O-] ZINC001606419489 1018831173 /nfs/dbraw/zinc/83/11/73/1018831173.db2.gz DCJJDKLLLIZBGH-YUMQZZPRSA-N -1 0 312.282 -0.607 20 0 DBADRM NC(=O)NC[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001606422013 1018831925 /nfs/dbraw/zinc/83/19/25/1018831925.db2.gz DASXVGKIHBXEOM-QMMMGPOBSA-N -1 0 303.330 -0.459 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2nc(C)no2)C[C@H]1C(=O)[O-] ZINC001606419488 1018832121 /nfs/dbraw/zinc/83/21/21/1018832121.db2.gz DCJJDKLLLIZBGH-SFYZADRCSA-N -1 0 312.282 -0.607 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc[n+]([O-])c2)C[C@H]1C(=O)[O-] ZINC001606422472 1018832139 /nfs/dbraw/zinc/83/21/39/1018832139.db2.gz MWXFGWSTCBUJRL-ZJUUUORDSA-N -1 0 309.278 -0.343 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1C(=O)[O-] ZINC001606423046 1018832501 /nfs/dbraw/zinc/83/25/01/1018832501.db2.gz PQHMESPAXMPDMA-RNFRBKRXSA-N -1 0 310.262 -0.676 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2nocc2C)C[C@H]1C(=O)[O-] ZINC001606424649 1018832546 /nfs/dbraw/zinc/83/25/46/1018832546.db2.gz XNZIYPACHWNJRZ-BDAKNGLRSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCOCCF)C[C@H]1C(=O)[O-] ZINC001606423612 1018832970 /nfs/dbraw/zinc/83/29/70/1018832970.db2.gz RDZKDZLJKDNYGG-RKDXNWHRSA-N -1 0 306.290 -0.512 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@@H]1C(=O)[O-] ZINC001606423952 1018833039 /nfs/dbraw/zinc/83/30/39/1018833039.db2.gz XNFBJFCWPIHAOV-NKWVEPMBSA-N -1 0 319.277 -0.701 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2cnc(C)o2)C[C@H]1C(=O)[O-] ZINC001606424996 1018833204 /nfs/dbraw/zinc/83/32/04/1018833204.db2.gz ZATFQCCYHRHXNC-ZJUUUORDSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NOC[C@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001606423806 1018833298 /nfs/dbraw/zinc/83/32/98/1018833298.db2.gz SINSPXPBCDSQRL-IVZWLZJFSA-N -1 0 316.310 -0.530 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2ocnc2C)C[C@H]1C(=O)[O-] ZINC001606424876 1018833451 /nfs/dbraw/zinc/83/34/51/1018833451.db2.gz YWFQSIKNVCQZBQ-RKDXNWHRSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(=O)n(C)c2)C[C@H]1C(=O)[O-] ZINC001606424812 1018833593 /nfs/dbraw/zinc/83/35/93/1018833593.db2.gz YBHHFUZZIMFVCR-NXEZZACHSA-N -1 0 323.305 -0.277 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cnc3c[nH]nc3c2)C[C@@H]1C(=O)[O-] ZINC001606425949 1018833600 /nfs/dbraw/zinc/83/36/00/1018833600.db2.gz OTJQLOQAAHDMLZ-IUCAKERBSA-N -1 0 318.289 -0.096 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@@H]1C(=O)[O-] ZINC001606423780 1018833669 /nfs/dbraw/zinc/83/36/69/1018833669.db2.gz WBNMYKMMIDWSLR-CHWFTXMASA-N -1 0 321.333 -0.144 20 0 DBADRM COC(=O)[C@H]1CSCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001606429071 1018834077 /nfs/dbraw/zinc/83/40/77/1018834077.db2.gz LVPPLGPEGDIXOV-SECBINFHSA-N -1 0 311.319 -0.095 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)NCC(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001606428619 1018834089 /nfs/dbraw/zinc/83/40/89/1018834089.db2.gz FZRVPOZRZNBYKR-BQBZGAKWSA-N -1 0 312.244 -0.530 20 0 DBADRM COC(=O)[C@H]1CN(Cn2ncn(C)c2=S)C[C@@H]1C(=O)[O-] ZINC001606430302 1018834896 /nfs/dbraw/zinc/83/48/96/1018834896.db2.gz ABIFQBRKSISNTL-YUMQZZPRSA-N -1 0 300.340 -0.286 20 0 DBADRM COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)Cn3cc(C(=O)[O-])nn3)[C@@H]2C1 ZINC001606428822 1018835052 /nfs/dbraw/zinc/83/50/52/1018835052.db2.gz GVZCTVOQGFVJFG-RGOKHQFPSA-N -1 0 322.321 -0.320 20 0 DBADRM COC(=O)[C@@H]1CSCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001606429003 1018835155 /nfs/dbraw/zinc/83/51/55/1018835155.db2.gz JSPJAVLZEDSKMX-AEJSXWLSSA-N -1 0 317.363 -0.017 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@H]2CCOC2)C[C@@H]1C(=O)[O-] ZINC001606430948 1018836028 /nfs/dbraw/zinc/83/60/28/1018836028.db2.gz FUCULBBWJBGWQO-LPEHRKFASA-N -1 0 321.351 -0.842 20 0 DBADRM COC(=O)[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C)C[C@@H]1C(=O)[O-] ZINC001606433280 1018836134 /nfs/dbraw/zinc/83/61/34/1018836134.db2.gz VUYLVGKPJFRPRP-LPEHRKFASA-N -1 0 324.337 -0.371 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001606430949 1018837147 /nfs/dbraw/zinc/83/71/47/1018837147.db2.gz FUCULBBWJBGWQO-OPRDCNLKSA-N -1 0 321.351 -0.842 20 0 DBADRM COC(=O)[C@H]1CN(Cn2nc3ccccn3c2=O)C[C@@H]1C(=O)[O-] ZINC001606430923 1018837328 /nfs/dbraw/zinc/83/73/28/1018837328.db2.gz FPDZNRQWFVVPGR-UWVGGRQHSA-N -1 0 320.305 -0.741 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2C[C@H](O)CN2c2ccncn2)C1 ZINC001606441420 1018837826 /nfs/dbraw/zinc/83/78/26/1018837826.db2.gz JBDRCFXFBYYELK-SDDRHHMPSA-N -1 0 320.349 -0.261 20 0 DBADRM COC(=O)C[C@H](NC(=O)COc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC001606439988 1018837855 /nfs/dbraw/zinc/83/78/55/1018837855.db2.gz FQXBTXQGBSCJQK-JTQLQIEISA-N -1 0 324.289 -0.703 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)C[C@@H]1CCCOC1)C(=O)[O-] ZINC001606441889 1018838508 /nfs/dbraw/zinc/83/85/08/1018838508.db2.gz DSYDRGHCILHTJB-RKDXNWHRSA-N -1 0 309.340 -0.651 20 0 DBADRM NS(=O)(=O)CCCOC(=O)c1ccnc(-c2nn[nH]n2)c1 ZINC001606442697 1018838760 /nfs/dbraw/zinc/83/87/60/1018838760.db2.gz QFNBFXVQFLRHLK-UHFFFAOYSA-N -1 0 312.311 -0.903 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N[C@](C)(CO)C(=O)[O-])CC1 ZINC001606445754 1018839901 /nfs/dbraw/zinc/83/99/01/1018839901.db2.gz UXACILXWJHCQCH-SNVBAGLBSA-N -1 0 309.340 -0.915 20 0 DBADRM COC(=O)C[C@@]1(NS(=O)(=O)CC(C)(C)C(=O)[O-])CCOC1 ZINC001606446557 1018839920 /nfs/dbraw/zinc/83/99/20/1018839920.db2.gz KZVHJNDCPFUDMR-LBPRGKRZSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)C[C@@H](O)CNS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001606442991 1018840348 /nfs/dbraw/zinc/84/03/48/1018840348.db2.gz FBEBXLDPMKMZLU-SECBINFHSA-N -1 0 323.367 -0.525 20 0 DBADRM COC(=O)C[C@H]1CN(CN2C[C@H](C(=O)[O-])CC2=O)CCO1 ZINC001606447665 1018841375 /nfs/dbraw/zinc/84/13/75/1018841375.db2.gz WHMGKOHMVJQGCW-ZJUUUORDSA-N -1 0 300.311 -0.859 20 0 DBADRM CCC(=O)NC/C=C/CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001501614935 1018841335 /nfs/dbraw/zinc/84/13/35/1018841335.db2.gz AMBOKYWACXZPLV-ONEGZZNKSA-N -1 0 311.342 -0.332 20 0 DBADRM COC(=O)C[C@H]1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001606447686 1018841640 /nfs/dbraw/zinc/84/16/40/1018841640.db2.gz XAEQZHHQNNRWBI-LPEHRKFASA-N -1 0 321.351 -0.557 20 0 DBADRM CCC(=O)NC/C=C\CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001501614934 1018841872 /nfs/dbraw/zinc/84/18/72/1018841872.db2.gz AMBOKYWACXZPLV-ARJAWSKDSA-N -1 0 311.342 -0.332 20 0 DBADRM COC(=O)CCN1CCN(C(=O)NC[C@H](F)C(=O)[O-])[C@@H](C)C1 ZINC001606454384 1018842077 /nfs/dbraw/zinc/84/20/77/1018842077.db2.gz FITXIMIBQRPEAE-UWVGGRQHSA-N -1 0 319.333 -0.312 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cc(C(N)=O)cn1C)C(=O)[O-] ZINC001606461055 1018843429 /nfs/dbraw/zinc/84/34/29/1018843429.db2.gz VFTWVYKPNALHRK-MRVPVSSYSA-N -1 0 311.294 -0.740 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CCCn2ncnc21)C(=O)[O-] ZINC001606458552 1018843964 /nfs/dbraw/zinc/84/39/64/1018843964.db2.gz ORUKEVYCDRNAMA-DTWKUNHWSA-N -1 0 310.310 -0.322 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cnn2c1NCCC2)C(=O)[O-] ZINC001606461065 1018844004 /nfs/dbraw/zinc/84/40/04/1018844004.db2.gz VYRAIKXYSSOLCS-SECBINFHSA-N -1 0 310.310 -0.165 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)COCC(=O)OC(C)(C)C ZINC001606464801 1018844924 /nfs/dbraw/zinc/84/49/24/1018844924.db2.gz NWIUCFHNEISABP-UHFFFAOYSA-N -1 0 319.310 -0.569 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccc2nc(CO)[nH]c21 ZINC001606468331 1018845275 /nfs/dbraw/zinc/84/52/75/1018845275.db2.gz YDBAXODWEJMDJY-UHFFFAOYSA-N -1 0 321.289 -0.245 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc2n(n1)CCC[C@H]2O ZINC001606468163 1018845374 /nfs/dbraw/zinc/84/53/74/1018845374.db2.gz PODPJVQGYNFSSS-SNVBAGLBSA-N -1 0 311.294 -0.590 20 0 DBADRM COC(=O)COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)OCC(=O)[O-] ZINC001606471079 1018845610 /nfs/dbraw/zinc/84/56/10/1018845610.db2.gz WMNDGECNTKOPRN-DTWKUNHWSA-N -1 0 300.263 -0.087 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001606470979 1018845958 /nfs/dbraw/zinc/84/59/58/1018845958.db2.gz RENIWUHRHJKRJS-UHFFFAOYSA-N -1 0 324.293 -0.501 20 0 DBADRM CCCC(=O)NC/C=C\CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001501638768 1018846115 /nfs/dbraw/zinc/84/61/15/1018846115.db2.gz KDVNZHFZSDJAHC-ARJAWSKDSA-N -1 0 323.353 -0.196 20 0 DBADRM COC(=O)CN1CCN(C(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC001606471949 1018847393 /nfs/dbraw/zinc/84/73/93/1018847393.db2.gz RYBJQOOEZOCDCK-UHFFFAOYSA-N -1 0 307.306 -0.289 20 0 DBADRM COC(=O)COc1ccc(C(=O)N[C@](C)(CO)C(=O)[O-])cc1 ZINC001606474057 1018847491 /nfs/dbraw/zinc/84/74/91/1018847491.db2.gz OAJLIHZJSJIIMC-CQSZACIVSA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)NCCCC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001606494529 1018847967 /nfs/dbraw/zinc/84/79/67/1018847967.db2.gz CXXUKROIFPWHAQ-BDAKNGLRSA-N -1 0 316.310 -0.545 20 0 DBADRM COC(=O)N1CC(N2C(=O)[C@H]3CC[C@H](C(=O)[O-])CN3C2=O)C1 ZINC001606488296 1018848091 /nfs/dbraw/zinc/84/80/91/1018848091.db2.gz WJWDAZOSVRQLKP-IONNQARKSA-N -1 0 311.294 -0.436 20 0 DBADRM COC(=O)NCC(=O)N[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001606493746 1018848416 /nfs/dbraw/zinc/84/84/16/1018848416.db2.gz KRYKWZYPOWFSBC-ZETCQYMHSA-N -1 0 311.298 -0.553 20 0 DBADRM COC(=O)N1CCC(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])CC1 ZINC001606490066 1018848469 /nfs/dbraw/zinc/84/84/69/1018848469.db2.gz SFXVLTMKUZBOGG-GHMZBOCLSA-N -1 0 314.338 -0.099 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cnn2c1NCCC2 ZINC001606505678 1018849460 /nfs/dbraw/zinc/84/94/60/1018849460.db2.gz VIYAOXOLVDTQLS-SECBINFHSA-N -1 0 310.310 -0.165 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)c1 ZINC001606504309 1018849856 /nfs/dbraw/zinc/84/98/56/1018849856.db2.gz NUYDOACXJYHKDL-INIZCTEOSA-N -1 0 320.345 -0.096 20 0 DBADRM COC(=O)[C@@H](F)CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001606505059 1018850231 /nfs/dbraw/zinc/85/02/31/1018850231.db2.gz BPBKKRIHQRTXIG-LURJTMIESA-N -1 0 306.271 -0.431 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)C[C@@H](C)O1 ZINC001606510072 1018849995 /nfs/dbraw/zinc/84/99/95/1018849995.db2.gz VFQRAFRCLFXBAR-SCZZXKLOSA-N -1 0 311.294 -0.630 20 0 DBADRM O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccncc1-c1nn[nH]n1 ZINC001606506386 1018850032 /nfs/dbraw/zinc/85/00/32/1018850032.db2.gz CBJUTGLQZBWCJI-MRVPVSSYSA-N -1 0 322.350 -0.553 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001606501930 1018850166 /nfs/dbraw/zinc/85/01/66/1018850166.db2.gz VDZFJWIHYMKASP-IWSPIJDZSA-N -1 0 300.311 -0.576 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001606509543 1018850184 /nfs/dbraw/zinc/85/01/84/1018850184.db2.gz GOMLOJDABARXOH-VPOLOUISSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001606506006 1018850241 /nfs/dbraw/zinc/85/02/41/1018850241.db2.gz YAEBRTOYSMGFCC-GHMZBOCLSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)[C@H]1C[C@H]1CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001606520015 1018851190 /nfs/dbraw/zinc/85/11/90/1018851190.db2.gz RCFRGPLUQBYNIP-GUBZILKMSA-N -1 0 300.311 -0.319 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)c2nc3n(n2)CCCN3)c1 ZINC001606513449 1018851350 /nfs/dbraw/zinc/85/13/50/1018851350.db2.gz HTCAORIWCIVHQB-UHFFFAOYSA-N -1 0 301.306 -0.021 20 0 DBADRM COC(=O)[C@H]1CCCN1C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606515915 1018851372 /nfs/dbraw/zinc/85/13/72/1018851372.db2.gz CVKDPTLLUUKDMD-VHSXEESVSA-N -1 0 312.322 -0.526 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@@H](OC)C[C@H]2C(=O)[O-])O1 ZINC001606516050 1018851979 /nfs/dbraw/zinc/85/19/79/1018851979.db2.gz FEUYSWRQINJBBN-VPOLOUISSA-N -1 0 315.322 -0.202 20 0 DBADRM O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CCCCC1 ZINC001606539933 1018852557 /nfs/dbraw/zinc/85/25/57/1018852557.db2.gz DZRFZZKGXGKEMN-UHFFFAOYSA-N -1 0 319.325 -0.468 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)C1 ZINC001606520328 1018853024 /nfs/dbraw/zinc/85/30/24/1018853024.db2.gz YOBAXFQUJKUGFU-KYXWUPHJSA-N -1 0 312.322 -0.624 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCc2cc(=O)[nH]c(=S)[nH]2)cn1 ZINC001606536258 1018853093 /nfs/dbraw/zinc/85/30/93/1018853093.db2.gz DIMAYDLPYDFDNG-UHFFFAOYSA-N -1 0 307.291 -0.111 20 0 DBADRM O=C(CN1C(=O)CCC1=O)NCc1ccnc(-c2nn[nH]n2)c1 ZINC001606540674 1018853653 /nfs/dbraw/zinc/85/36/53/1018853653.db2.gz BJUNIHWGMHEBLT-UHFFFAOYSA-N -1 0 315.293 -0.973 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1cn3c(n1)COCC3)C2 ZINC001606553074 1018854588 /nfs/dbraw/zinc/85/45/88/1018854588.db2.gz GLPJJWFBHBYNBK-YMTOWFKASA-N -1 0 307.306 -0.414 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCO)ccc1C(=O)[O-] ZINC001606568296 1018855541 /nfs/dbraw/zinc/85/55/41/1018855541.db2.gz ATUYGELWWRERKJ-UHFFFAOYSA-N -1 0 303.292 -0.558 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)NCCO3)CCO1 ZINC001606566170 1018855682 /nfs/dbraw/zinc/85/56/82/1018855682.db2.gz GEGHKAWQYQVHNY-LBPRGKRZSA-N -1 0 320.301 -0.266 20 0 DBADRM O=C([O-])C1(C(=O)NCCN2CCNC(=O)C2)CCSCC1 ZINC001606563623 1018855716 /nfs/dbraw/zinc/85/57/16/1018855716.db2.gz BELIWYXREHUPKS-UHFFFAOYSA-N -1 0 315.395 -0.868 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@@H]2CNC(=O)c3ccccc32)CCOC1 ZINC001606569390 1018856051 /nfs/dbraw/zinc/85/60/51/1018856051.db2.gz IGMSBCRIROYNFS-ABAIWWIYSA-N -1 0 304.302 -0.127 20 0 DBADRM O=C(COc1ccc(-c2nn[nH]n2)cc1)NCc1nc(=O)o[n-]1 ZINC001606568496 1018856187 /nfs/dbraw/zinc/85/61/87/1018856187.db2.gz HCDVUFVNYCSHQZ-UHFFFAOYSA-N -1 0 317.265 -0.762 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2cnsn2)c1[O-] ZINC001501709056 1018856368 /nfs/dbraw/zinc/85/63/68/1018856368.db2.gz CLYUNKAFZMPIGI-IHWYPQMZSA-N -1 0 322.350 -0.009 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])n1C ZINC001606574515 1018856502 /nfs/dbraw/zinc/85/65/02/1018856502.db2.gz NFLWBOGUAAQKCL-VIFPVBQESA-N -1 0 320.305 -0.109 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)nc1 ZINC001606572795 1018856617 /nfs/dbraw/zinc/85/66/17/1018856617.db2.gz VHPICZMUZPMPCW-LLVKDONJSA-N -1 0 321.333 -0.043 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)nc1)NCCCOCCO ZINC001606593956 1018856851 /nfs/dbraw/zinc/85/68/51/1018856851.db2.gz AUPOAJVCFMKNSA-UHFFFAOYSA-N -1 0 306.326 -0.681 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])[nH]1 ZINC001606574217 1018856872 /nfs/dbraw/zinc/85/68/72/1018856872.db2.gz IYMCLBBXHWGRCE-VIFPVBQESA-N -1 0 307.266 -0.724 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001606576983 1018856991 /nfs/dbraw/zinc/85/69/91/1018856991.db2.gz GLNFEISUIKVXRF-GDNZZTSVSA-N -1 0 315.333 -0.058 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])n1C ZINC001606574514 1018857528 /nfs/dbraw/zinc/85/75/28/1018857528.db2.gz NFLWBOGUAAQKCL-SECBINFHSA-N -1 0 320.305 -0.109 20 0 DBADRM O=C(Cc1cccc(-c2nn[nH]n2)c1)NCc1nc(=O)o[n-]1 ZINC001606602075 1018858791 /nfs/dbraw/zinc/85/87/91/1018858791.db2.gz YAQGRTSRQSQGFO-UHFFFAOYSA-N -1 0 301.266 -0.598 20 0 DBADRM O=C(Cc1ccoc1)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001606607197 1018859051 /nfs/dbraw/zinc/85/90/51/1018859051.db2.gz KLKGZHRTMMLEKG-UHFFFAOYSA-N -1 0 314.309 -0.558 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])o1 ZINC001606606025 1018859358 /nfs/dbraw/zinc/85/93/58/1018859358.db2.gz ZZUJCSMEYASZMZ-JTQLQIEISA-N -1 0 307.280 -0.820 20 0 DBADRM O=C(Cn1ccc(-c2nnn[n-]2)cc1=O)N[C@@H]1CCSC1=O ZINC001606616321 1018859552 /nfs/dbraw/zinc/85/95/52/1018859552.db2.gz PHZHJESTVFLHJT-MRVPVSSYSA-N -1 0 320.334 -0.823 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2ccnn2C)c1[O-] ZINC001501727277 1018860092 /nfs/dbraw/zinc/86/00/92/1018860092.db2.gz QADAVVMBIHCHTK-ONEGZZNKSA-N -1 0 318.337 -0.127 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@H](n2cccn2)C1 ZINC001606620788 1018860200 /nfs/dbraw/zinc/86/02/00/1018860200.db2.gz PSYUGTRGEWLTJQ-SECBINFHSA-N -1 0 314.313 -0.872 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1n[nH]cc1C1CC1 ZINC001606623297 1018860445 /nfs/dbraw/zinc/86/04/45/1018860445.db2.gz GNDVZRQLYMNJTF-UHFFFAOYSA-N -1 0 300.286 -0.303 20 0 DBADRM COC(=O)c1cnc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cn1 ZINC001606624202 1018860750 /nfs/dbraw/zinc/86/07/50/1018860750.db2.gz CXGXTJJTPWCKFU-SNVBAGLBSA-N -1 0 308.294 -0.962 20 0 DBADRM COC(=O)c1cn(C2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001606623381 1018861204 /nfs/dbraw/zinc/86/12/04/1018861204.db2.gz WOWAYGQQFJPOFM-VHSXEESVSA-N -1 0 322.321 -0.051 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC1Cc2ccccc2C1 ZINC001606620347 1018861240 /nfs/dbraw/zinc/86/12/40/1018861240.db2.gz JMLMWBGFRAOFLK-UHFFFAOYSA-N -1 0 310.321 -0.258 20 0 DBADRM CO[C@H](C)CS(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001606661842 1018865149 /nfs/dbraw/zinc/86/51/49/1018865149.db2.gz RVXIALYSROOVFT-SSDOTTSWSA-N -1 0 304.328 -0.802 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001606620805 1018861374 /nfs/dbraw/zinc/86/13/74/1018861374.db2.gz QWMVCMFXOBHFSM-LPEHRKFASA-N -1 0 318.341 -0.468 20 0 DBADRM COC(=O)c1csc(CN2[C@@H](C(=O)[O-])CCS2(=O)=O)n1 ZINC001606631020 1018862027 /nfs/dbraw/zinc/86/20/27/1018862027.db2.gz NPHVETWUPPNLNF-SSDOTTSWSA-N -1 0 320.348 -0.082 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)N(C)[C@H](C)C(=O)[O-] ZINC001606637139 1018862173 /nfs/dbraw/zinc/86/21/73/1018862173.db2.gz WSYUMINIRGOARJ-SSDOTTSWSA-N -1 0 300.267 -0.091 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ncc(C(=O)[O-])cn1 ZINC001606660146 1018863501 /nfs/dbraw/zinc/86/35/01/1018863501.db2.gz WVESISHCEPQATJ-GXSJLCMTSA-N -1 0 324.337 -0.469 20 0 DBADRM CO[C@@H](C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-])c1cnn(C)c1 ZINC001606644259 1018863569 /nfs/dbraw/zinc/86/35/69/1018863569.db2.gz IYLFHFFZRLKLKX-ZYHUDNBSSA-N -1 0 324.337 -0.701 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)CN1CCCNC1=O)OC ZINC001606669267 1018865704 /nfs/dbraw/zinc/86/57/04/1018865704.db2.gz UCYOUDSHCWRVPN-UHFFFAOYSA-N -1 0 317.342 -0.676 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)C1(NC(N)=O)CC1)OC ZINC001606668000 1018865911 /nfs/dbraw/zinc/86/59/11/1018865911.db2.gz FXCQSCLRYRSTOD-UHFFFAOYSA-N -1 0 303.315 -0.891 20 0 DBADRM COC(OC)[C@@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606684072 1018866711 /nfs/dbraw/zinc/86/67/11/1018866711.db2.gz DOGDGTYVCXWIFC-BDAKNGLRSA-N -1 0 302.327 -0.567 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@@H](CO)C(=O)[O-])c1ccccc1 ZINC001606683100 1018867460 /nfs/dbraw/zinc/86/74/60/1018867460.db2.gz OVNCMUGERFDOET-QWRGUYRKSA-N -1 0 303.336 -0.261 20 0 DBADRM COC1(C(=O)NCc2ccc(C(=O)[O-])nc2)CS(=O)(=O)C1 ZINC001606690358 1018867615 /nfs/dbraw/zinc/86/76/15/1018867615.db2.gz LBJPGTTWQCEFIH-UHFFFAOYSA-N -1 0 314.319 -0.790 20 0 DBADRM COC1(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CS(=O)(=O)C1 ZINC001606690260 1018867701 /nfs/dbraw/zinc/86/77/01/1018867701.db2.gz CXFGEECSWLCTRT-FYBVGQRMSA-N -1 0 303.336 -0.831 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCCN2CCO[C@H](C)C2)C1 ZINC001606697310 1018868132 /nfs/dbraw/zinc/86/81/32/1018868132.db2.gz BBYGQMJJBHYFSV-RISCZKNCSA-N -1 0 315.370 -0.408 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCCOCC2)C1 ZINC001606691572 1018868320 /nfs/dbraw/zinc/86/83/20/1018868320.db2.gz ONGJHQQIKUNCQO-IINYFYTJSA-N -1 0 314.338 -0.626 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)C1 ZINC001606695638 1018868737 /nfs/dbraw/zinc/86/87/37/1018868737.db2.gz FKLOIKKWIAAYKA-CQSZACIVSA-N -1 0 323.305 -0.974 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2cscn2)C1 ZINC001606696663 1018868769 /nfs/dbraw/zinc/86/87/69/1018868769.db2.gz MJBWOWXCRJVNPS-GFCCVEGCSA-N -1 0 313.335 -0.539 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C)O2)C1 ZINC001606691285 1018868906 /nfs/dbraw/zinc/86/89/06/1018868906.db2.gz KXLCOYCPIGFBGW-PKFCDNJMSA-N -1 0 314.338 -0.628 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOC(C)(C)C2)C1 ZINC001606691885 1018868999 /nfs/dbraw/zinc/86/89/99/1018868999.db2.gz SAMDZGFTPYZYIX-CQSZACIVSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CS(=O)(=O)NC(C)(C)C)C1 ZINC001606696159 1018869044 /nfs/dbraw/zinc/86/90/44/1018869044.db2.gz ARTMDCGNBITNDY-LBPRGKRZSA-N -1 0 322.383 -0.594 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001606700863 1018869277 /nfs/dbraw/zinc/86/92/77/1018869277.db2.gz SUCRPDTWEFTYBU-OAHLLOKOSA-N -1 0 322.317 -0.134 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)C1 ZINC001606698526 1018869570 /nfs/dbraw/zinc/86/95/70/1018869570.db2.gz WVQXRTYVBMTAJR-OQPBUACISA-N -1 0 313.310 -0.981 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)CN2CCCC2=O)C1 ZINC001606697944 1018870142 /nfs/dbraw/zinc/87/01/42/1018870142.db2.gz SANLGEATHAFPLK-HZMBPMFUSA-N -1 0 313.354 -0.118 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCCCc2cnn(C)n2)C1 ZINC001606699443 1018870264 /nfs/dbraw/zinc/87/02/64/1018870264.db2.gz WICWPIKQFHEZCV-CYBMUJFWSA-N -1 0 311.342 -0.367 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2COCCN2C)C1 ZINC001606697334 1018870327 /nfs/dbraw/zinc/87/03/27/1018870327.db2.gz BMVZRIBNIAJZKW-MFKMUULPSA-N -1 0 301.343 -0.798 20 0 DBADRM COC1(C(=O)O[C@@H]2CCCC[C@H]2C(=O)[O-])CS(=O)(=O)C1 ZINC001606705560 1018870868 /nfs/dbraw/zinc/87/08/68/1018870868.db2.gz CTSNLPYTFSIMTL-RKDXNWHRSA-N -1 0 306.336 -0.013 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cn(C)c(Cl)n2)C1 ZINC001606705924 1018871138 /nfs/dbraw/zinc/87/11/38/1018871138.db2.gz HQTXXCNRSHRYQW-JTQLQIEISA-N -1 0 323.758 -0.062 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(Cc2nnc3c(=O)n(C)ccn23)C1 ZINC001606705986 1018871376 /nfs/dbraw/zinc/87/13/76/1018871376.db2.gz IHZBZVVXLKTRPZ-CYBMUJFWSA-N -1 0 307.310 -0.897 20 0 DBADRM COC1(C)CN(C(=O)C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)C1 ZINC001606714452 1018871446 /nfs/dbraw/zinc/87/14/46/1018871446.db2.gz AZDLESMHQPDMPD-UHFFFAOYSA-N -1 0 324.337 -0.111 20 0 DBADRM COC1([C@@H](C)NC(=O)N2CC(O)(C(=O)[O-])C2)CCOCC1 ZINC001606708664 1018871868 /nfs/dbraw/zinc/87/18/68/1018871868.db2.gz MVPHJRONMXETDV-SECBINFHSA-N -1 0 302.327 -0.589 20 0 DBADRM COC1([C@H](C)NC(=O)NCCOCC(=O)[O-])CCOCC1 ZINC001606708214 1018871535 /nfs/dbraw/zinc/87/15/35/1018871535.db2.gz HSSFGGIEUDWLOF-JTQLQIEISA-N -1 0 304.343 -0.029 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC001606705373 1018871632 /nfs/dbraw/zinc/87/16/32/1018871632.db2.gz CARKXWCXYFSSBX-CYBMUJFWSA-N -1 0 307.310 -0.256 20 0 DBADRM COC1(CN2C(=O)N[C@H](CCC(=O)[O-])C2=O)CCOCC1 ZINC001606714303 1018872179 /nfs/dbraw/zinc/87/21/79/1018872179.db2.gz JYFILMWMFMPLFX-SECBINFHSA-N -1 0 300.311 -0.033 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)CCOC1 ZINC001606713964 1018872238 /nfs/dbraw/zinc/87/22/38/1018872238.db2.gz CIKQFMHOKOVFIP-BFVZDQMLSA-N -1 0 314.338 -0.770 20 0 DBADRM COC1(CS(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CCC1 ZINC001606721265 1018872449 /nfs/dbraw/zinc/87/24/49/1018872449.db2.gz WGBFOAHUFSDDCV-UWVGGRQHSA-N -1 0 307.368 -0.347 20 0 DBADRM COC1(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001606717138 1018872699 /nfs/dbraw/zinc/87/26/99/1018872699.db2.gz FWQBQFXAYIZLEV-AOOOYVTPSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC/C=C\CNC(=O)C1=CCCC1 ZINC001501778178 1018872728 /nfs/dbraw/zinc/87/27/28/1018872728.db2.gz OFDVNLCREWFOAT-ARJAWSKDSA-N -1 0 321.337 -0.412 20 0 DBADRM CO[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001606732548 1018872798 /nfs/dbraw/zinc/87/27/98/1018872798.db2.gz FVTYXDDXGKCGRT-MXWKQRLJSA-N -1 0 314.338 -0.628 20 0 DBADRM COC1(Cn2nnnc2N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CCOCC1 ZINC001606722120 1018872911 /nfs/dbraw/zinc/87/29/11/1018872911.db2.gz DCUSLFMFPOFICM-URLYPYJESA-N -1 0 323.353 -0.365 20 0 DBADRM CO[C@@H]1CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001606736614 1018872998 /nfs/dbraw/zinc/87/29/98/1018872998.db2.gz RTQDYDOBALKGDI-RBZYPMLTSA-N -1 0 314.338 -0.676 20 0 DBADRM CO[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)[C@@](C)(C(=O)[O-])C1 ZINC001606763605 1018874264 /nfs/dbraw/zinc/87/42/64/1018874264.db2.gz MSJRTJGBJSACON-HHURGBBESA-N -1 0 313.310 -0.935 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)N=S(C)(C)=O)[C@@H](C(=O)[O-])C1 ZINC001606762476 1018874291 /nfs/dbraw/zinc/87/42/91/1018874291.db2.gz ZLZYRQRFUBRFOC-JGVFFNPUSA-N -1 0 314.385 -0.477 20 0 DBADRM CO[C@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)[C@@](C)(C(=O)[O-])C1 ZINC001606762863 1018874319 /nfs/dbraw/zinc/87/43/19/1018874319.db2.gz FYQJJZHRBKRUEO-MEBBXXQBSA-N -1 0 321.333 -0.186 20 0 DBADRM COCC(=O)N1CCCO[C@@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001606771973 1018874774 /nfs/dbraw/zinc/87/47/74/1018874774.db2.gz NMAVCAATBZJPFV-JTQLQIEISA-N -1 0 324.337 -0.728 20 0 DBADRM COCC(=O)NC[C@@H]1CN(c2ccnc(C(=O)[O-])n2)CCO1 ZINC001606773954 1018875286 /nfs/dbraw/zinc/87/52/86/1018875286.db2.gz ALKPHUOIEXNXBK-SECBINFHSA-N -1 0 310.310 -0.857 20 0 DBADRM COCC(=O)N1CCN(C(=O)NC2CC(CC(=O)[O-])C2)CC1 ZINC001606771806 1018875858 /nfs/dbraw/zinc/87/58/58/1018875858.db2.gz JSPRMOCSFKDTIA-UHFFFAOYSA-N -1 0 313.354 -0.260 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001606779410 1018876791 /nfs/dbraw/zinc/87/67/91/1018876791.db2.gz PEHYGOVEDKPSBO-CYBMUJFWSA-N -1 0 313.310 -0.265 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)[C@@H]1CC12CC2 ZINC001606780890 1018876931 /nfs/dbraw/zinc/87/69/31/1018876931.db2.gz PUFBJQBPQUEYAB-QMMMGPOBSA-N -1 0 300.326 -0.593 20 0 DBADRM COC[C@](C)(NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)C(=O)[O-] ZINC001606791064 1018877707 /nfs/dbraw/zinc/87/77/07/1018877707.db2.gz DWUBPNOXOMOVBY-STQMWFEESA-N -1 0 320.411 -0.119 20 0 DBADRM COC[C@](C)(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001606789944 1018878078 /nfs/dbraw/zinc/87/80/78/1018878078.db2.gz HHOJEWBEIPAFJF-OQPBUACISA-N -1 0 320.342 -0.522 20 0 DBADRM COC[C@H]([C@H]1CCCO1)N1C(=O)N[C@H](CCC(=O)[O-])C1=O ZINC001606799044 1018878133 /nfs/dbraw/zinc/87/81/33/1018878133.db2.gz AQQQMZBRPZUXPD-OPRDCNLKSA-N -1 0 300.311 -0.034 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001606798623 1018878382 /nfs/dbraw/zinc/87/83/82/1018878382.db2.gz QYVMETIZYAZZGH-IUCAKERBSA-N -1 0 308.356 -0.984 20 0 DBADRM O=C(NCCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCNC1=O ZINC001606795172 1018878437 /nfs/dbraw/zinc/87/84/37/1018878437.db2.gz XHHILDDDPKTRGJ-NSHDSACASA-N -1 0 300.322 -0.339 20 0 DBADRM COC[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)C1CC1 ZINC001606804556 1018879600 /nfs/dbraw/zinc/87/96/00/1018879600.db2.gz BRDMVDYRUXYBKX-MYQWFSQQSA-N -1 0 310.350 -0.103 20 0 DBADRM COC[C@@H](C)n1ccc(NC(=O)NCC(=O)NCC(=O)[O-])n1 ZINC001606800081 1018879625 /nfs/dbraw/zinc/87/96/25/1018879625.db2.gz UXKIHWFBVJRIFV-MRVPVSSYSA-N -1 0 313.314 -0.587 20 0 DBADRM COC[C@@H](CCNC(=O)N1CCO[C@H](CC(=O)[O-])C1)OC ZINC001606799849 1018879816 /nfs/dbraw/zinc/87/98/16/1018879816.db2.gz QDAZZBPFAQNZSH-GHMZBOCLSA-N -1 0 304.343 -0.077 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001606803003 1018880096 /nfs/dbraw/zinc/88/00/96/1018880096.db2.gz PRBUYOOQGLBPGK-LPEHRKFASA-N -1 0 317.357 -0.054 20 0 DBADRM COC[C@H](CNS(=O)(=O)c1csnc1C(=O)[O-])OC ZINC001606800894 1018880236 /nfs/dbraw/zinc/88/02/36/1018880236.db2.gz XJJGYHWLRDCCME-LURJTMIESA-N -1 0 310.353 -0.219 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@H](O)C1CCCCC1 ZINC001606802772 1018880318 /nfs/dbraw/zinc/88/03/18/1018880318.db2.gz NDKZYAQCKVEGCY-SNVBAGLBSA-N -1 0 320.357 -0.484 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1sccc1-c1nn[nH]n1 ZINC001606802454 1018880505 /nfs/dbraw/zinc/88/05/05/1018880505.db2.gz SEEHOQZJSDTARP-UHFFFAOYSA-N -1 0 307.295 -0.423 20 0 DBADRM COC[C@@H](NC(=O)CNC(=O)COc1ccccc1)C(=O)[O-] ZINC001606809389 1018882207 /nfs/dbraw/zinc/88/22/07/1018882207.db2.gz JKCZIJSFJUXQSK-LLVKDONJSA-N -1 0 310.306 -0.603 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)OC ZINC001606816284 1018882557 /nfs/dbraw/zinc/88/25/57/1018882557.db2.gz UNMKAPYLFTWEMN-SECBINFHSA-N -1 0 318.307 -0.754 20 0 DBADRM COC[C@H](OC)C(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001606822033 1018882811 /nfs/dbraw/zinc/88/28/11/1018882811.db2.gz GXUUKGPIPSZDDC-GUBZILKMSA-N -1 0 303.311 -0.487 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-] ZINC001606818192 1018882825 /nfs/dbraw/zinc/88/28/25/1018882825.db2.gz KAPFHJHRCADCSC-WCBMZHEXSA-N -1 0 319.339 -0.778 20 0 DBADRM COC[C@@H](O)CCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001606817300 1018882871 /nfs/dbraw/zinc/88/28/71/1018882871.db2.gz CZRFLFNZXURVJB-NSHDSACASA-N -1 0 324.333 -0.234 20 0 DBADRM COC[C@H](OC)C(=O)OCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606823078 1018882898 /nfs/dbraw/zinc/88/28/98/1018882898.db2.gz QUKNSGJYXCPULH-VIFPVBQESA-N -1 0 312.278 -0.077 20 0 DBADRM COC[C@@H](O)CCNC(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC001606819643 1018883233 /nfs/dbraw/zinc/88/32/33/1018883233.db2.gz VBBMMHDJZNCJQV-ZETCQYMHSA-N -1 0 316.335 -0.102 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CCc2nncn2C1 ZINC001606830093 1018883879 /nfs/dbraw/zinc/88/38/79/1018883879.db2.gz IJGJVSUKMSQVSQ-YGRLFVJLSA-N -1 0 308.338 -0.067 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H](O)Cc1cnn(C)c1 ZINC001606829975 1018883920 /nfs/dbraw/zinc/88/39/20/1018883920.db2.gz FVNSWFDHZNZUBX-FZMZJTMJSA-N -1 0 311.338 -0.584 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001606830937 1018884610 /nfs/dbraw/zinc/88/46/10/1018884610.db2.gz UBOVVSCULULMIF-GXFFZTMASA-N -1 0 319.379 -0.097 20 0 DBADRM COC[C@@]1(C(=O)OC)CCCN1S(=O)(=O)CCCC(=O)[O-] ZINC001606834525 1018885050 /nfs/dbraw/zinc/88/50/50/1018885050.db2.gz IQGGACROFUUMGA-GFCCVEGCSA-N -1 0 323.367 -0.165 20 0 DBADRM COCC1(O)CN(C(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001606842725 1018885713 /nfs/dbraw/zinc/88/57/13/1018885713.db2.gz QADPXHRAIMKLAZ-UHFFFAOYSA-N -1 0 300.267 -0.891 20 0 DBADRM COCC1=CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC001606844856 1018886562 /nfs/dbraw/zinc/88/65/62/1018886562.db2.gz CGJWLQYFKABHGW-UWVGGRQHSA-N -1 0 313.354 -0.048 20 0 DBADRM COC[C@@H]1COCCN1C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001606849398 1018887431 /nfs/dbraw/zinc/88/74/31/1018887431.db2.gz GVRVTQVTLIXMQF-AXFHLTTASA-N -1 0 302.327 -0.467 20 0 DBADRM COCCC(=O)N1C[C@@H](C(=O)[O-])N(C(=O)CCOC)C[C@@H]1C ZINC001606850300 1018887453 /nfs/dbraw/zinc/88/74/53/1018887453.db2.gz REMGVCMZCRIZFF-QWRGUYRKSA-N -1 0 316.354 -0.428 20 0 DBADRM COCCC(=O)NC[C@H]1COCCN1c1ncc(C(=O)[O-])cn1 ZINC001606851418 1018887460 /nfs/dbraw/zinc/88/74/60/1018887460.db2.gz ZANKKBWOERQOIT-NSHDSACASA-N -1 0 324.337 -0.467 20 0 DBADRM COC[C@@H]1CN(C(=O)COCc2ocnc2C(=O)[O-])CCO1 ZINC001606847511 1018887597 /nfs/dbraw/zinc/88/75/97/1018887597.db2.gz DRXUBKPZWDZCHU-VIFPVBQESA-N -1 0 314.294 -0.237 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001606852397 1018887690 /nfs/dbraw/zinc/88/76/90/1018887690.db2.gz JTQLSCYGGUJZDS-RKDXNWHRSA-N -1 0 311.356 -0.453 20 0 DBADRM COC[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001606850408 1018887739 /nfs/dbraw/zinc/88/77/39/1018887739.db2.gz UDZQYTMSQKIIQW-JTQLQIEISA-N -1 0 318.351 -0.241 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CCO1 ZINC001606847570 1018887781 /nfs/dbraw/zinc/88/77/81/1018887781.db2.gz GYLDRRQUQQFYJK-YGRLFVJLSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@@H]1CNCCN1S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001606848796 1018887951 /nfs/dbraw/zinc/88/79/51/1018887951.db2.gz VLLAROOGCHASDX-VIFPVBQESA-N -1 0 318.351 -0.105 20 0 DBADRM COC[C@H]1COCCN1C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001606849402 1018888123 /nfs/dbraw/zinc/88/81/23/1018888123.db2.gz GVRVTQVTLIXMQF-DCAQKATOSA-N -1 0 302.327 -0.467 20 0 DBADRM COC[C@@H]1COCCN1C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606849537 1018888150 /nfs/dbraw/zinc/88/81/50/1018888150.db2.gz IAOWBGRYELEHGX-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM COCCC(=O)NC[C@@H]1COCCN1c1ncc(C(=O)[O-])cn1 ZINC001606851417 1018888302 /nfs/dbraw/zinc/88/83/02/1018888302.db2.gz ZANKKBWOERQOIT-LLVKDONJSA-N -1 0 324.337 -0.467 20 0 DBADRM COCC[C@@H](NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC001606855419 1018889094 /nfs/dbraw/zinc/88/90/94/1018889094.db2.gz VRMUCCMNJPGVGJ-VHSXEESVSA-N -1 0 319.379 -0.193 20 0 DBADRM COCC[C@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-] ZINC001606859112 1018889377 /nfs/dbraw/zinc/88/93/77/1018889377.db2.gz IPTATFWYEYEWTC-VIFPVBQESA-N -1 0 321.289 -0.564 20 0 DBADRM COCC[C@H](NC(=O)COc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC001606859271 1018889649 /nfs/dbraw/zinc/88/96/49/1018889649.db2.gz XBZAKZAJMRISGK-NSHDSACASA-N -1 0 310.306 -0.230 20 0 DBADRM COCC[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C(N)=O ZINC001606859442 1018889698 /nfs/dbraw/zinc/88/96/98/1018889698.db2.gz OHOLMZIVNDVXIB-MRVPVSSYSA-N -1 0 308.356 -0.949 20 0 DBADRM COCC[C@H](NC(=O)CNC(=O)OCC(F)(F)F)C(=O)[O-] ZINC001606858349 1018889779 /nfs/dbraw/zinc/88/97/79/1018889779.db2.gz JVJOJCBJVKJDTH-LURJTMIESA-N -1 0 316.232 -0.119 20 0 DBADRM COCCCOCCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001606872115 1018890061 /nfs/dbraw/zinc/89/00/61/1018890061.db2.gz CKKJRKLECORVQM-LLVKDONJSA-N -1 0 316.354 -0.569 20 0 DBADRM COCCCN(CCO)S(=O)(=O)c1occc1C(=O)[O-] ZINC001606869909 1018890270 /nfs/dbraw/zinc/89/02/70/1018890270.db2.gz MLVOGRIAJXKORP-UHFFFAOYSA-N -1 0 307.324 -0.003 20 0 DBADRM COCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001606878919 1018890344 /nfs/dbraw/zinc/89/03/44/1018890344.db2.gz WDHOAIWFMLGXBI-UWVGGRQHSA-N -1 0 323.367 -0.309 20 0 DBADRM COCCCOCCC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001606872564 1018890662 /nfs/dbraw/zinc/89/06/62/1018890662.db2.gz OBCZKIDULSXLAM-QWRGUYRKSA-N -1 0 317.338 -0.238 20 0 DBADRM COCCCS(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001606878922 1018890722 /nfs/dbraw/zinc/89/07/22/1018890722.db2.gz WDHOAIWFMLGXBI-ZJUUUORDSA-N -1 0 323.367 -0.309 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)c1ccc(C(=O)[O-])n1C ZINC001606869930 1018890880 /nfs/dbraw/zinc/89/08/80/1018890880.db2.gz OGIKZGFJHKABEK-UHFFFAOYSA-N -1 0 311.338 -0.052 20 0 DBADRM COCCCN(CCO)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001606869343 1018891343 /nfs/dbraw/zinc/89/13/43/1018891343.db2.gz CWRDJLAWKLEXQQ-UHFFFAOYSA-N -1 0 300.315 -0.170 20 0 DBADRM COCCCOCCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001606872117 1018891376 /nfs/dbraw/zinc/89/13/76/1018891376.db2.gz CKKJRKLECORVQM-NSHDSACASA-N -1 0 316.354 -0.569 20 0 DBADRM COCCN1C[C@H](C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1=O ZINC001606892836 1018891651 /nfs/dbraw/zinc/89/16/51/1018891651.db2.gz BRPKKCYGIDLLGG-CKYFFXLPSA-N -1 0 314.338 -0.913 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H](C)n1cnc2c1ncnc2N ZINC001606881293 1018891886 /nfs/dbraw/zinc/89/18/86/1018891886.db2.gz QCDGWZUXJVAGQW-MRVPVSSYSA-N -1 0 322.325 -0.471 20 0 DBADRM COCCN1C[C@H](C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1=O ZINC001606893283 1018892023 /nfs/dbraw/zinc/89/20/23/1018892023.db2.gz KMMOKLHOLWJIOO-MXWKQRLJSA-N -1 0 314.338 -0.818 20 0 DBADRM COCCN1C[C@H](C(=O)NCc2ocnc2C(=O)[O-])CC1=O ZINC001606893778 1018892325 /nfs/dbraw/zinc/89/23/25/1018892325.db2.gz UAFHFARCNHJNEF-MRVPVSSYSA-N -1 0 311.294 -0.516 20 0 DBADRM COCCOCC(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001606901248 1018893410 /nfs/dbraw/zinc/89/34/10/1018893410.db2.gz VOARGVIPCSMXSM-QWRGUYRKSA-N -1 0 314.338 -0.961 20 0 DBADRM COCCN1CN(C(=O)Nc2c(C(=O)[O-])cnn2C)CC1=O ZINC001606895559 1018893714 /nfs/dbraw/zinc/89/37/14/1018893714.db2.gz RHMIQIUJWKFJPP-UHFFFAOYSA-N -1 0 311.298 -0.602 20 0 DBADRM COCCOCC(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001606900135 1018893847 /nfs/dbraw/zinc/89/38/47/1018893847.db2.gz DPLFAXKNVPJIRU-PHIMTYICSA-N -1 0 324.337 -0.103 20 0 DBADRM COCCOCC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001606901162 1018894457 /nfs/dbraw/zinc/89/44/57/1018894457.db2.gz SAXYXDRSZWRYNP-NSHDSACASA-N -1 0 324.337 -0.149 20 0 DBADRM COCCS(=O)(=O)CC(=O)NCc1ocnc1C(=O)[O-] ZINC001606920588 1018895059 /nfs/dbraw/zinc/89/50/59/1018895059.db2.gz XXLPNYOJOIKTOP-UHFFFAOYSA-N -1 0 306.296 -0.950 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC001606920026 1018895070 /nfs/dbraw/zinc/89/50/70/1018895070.db2.gz QQDVXNSGJYQMBX-VHSXEESVSA-N -1 0 307.368 -0.193 20 0 DBADRM COCCOCCN(CCO)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001606904709 1018894991 /nfs/dbraw/zinc/89/49/91/1018894991.db2.gz TYVXWAGQCVTOAK-MNOVXSKESA-N -1 0 305.327 -0.898 20 0 DBADRM COCCc1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1CCOC ZINC001606924217 1018895396 /nfs/dbraw/zinc/89/53/96/1018895396.db2.gz ACLFTLZCABNOMO-SNVBAGLBSA-N -1 0 314.342 -0.597 20 0 DBADRM COCCn1cc(C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])cn1 ZINC001606929018 1018895449 /nfs/dbraw/zinc/89/54/49/1018895449.db2.gz CULZVQNLGBCAAZ-CQSZACIVSA-N -1 0 321.337 -0.001 20 0 DBADRM COCCOc1cccc(CC(=O)N2CC(O)(C(=O)[O-])C2)c1 ZINC001606916867 1018895654 /nfs/dbraw/zinc/89/56/54/1018895654.db2.gz CSZRUWNDAPVKHJ-UHFFFAOYSA-N -1 0 309.318 -0.088 20 0 DBADRM COCCS(=O)(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001606919376 1018895925 /nfs/dbraw/zinc/89/59/25/1018895925.db2.gz ITVXXVUHYAUIBG-UHFFFAOYSA-N -1 0 318.355 -0.411 20 0 DBADRM COCCn1c([C@@H](C)O)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001606929060 1018896402 /nfs/dbraw/zinc/89/64/02/1018896402.db2.gz FDTBAPAUFQKOKC-PRHODGIISA-N -1 0 302.306 -0.019 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606937717 1018896769 /nfs/dbraw/zinc/89/67/69/1018896769.db2.gz IFDOTMNOZGVZNG-VHSXEESVSA-N -1 0 309.322 -0.200 20 0 DBADRM COCCn1cc(C(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])nn1 ZINC001606929494 1018897231 /nfs/dbraw/zinc/89/72/31/1018897231.db2.gz PXTNRCGCSVCSGW-MRVPVSSYSA-N -1 0 304.253 -0.141 20 0 DBADRM COC[C@@H](O)CNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001606937523 1018897306 /nfs/dbraw/zinc/89/73/06/1018897306.db2.gz XGZITJGSKKVQGX-ZETCQYMHSA-N -1 0 314.269 -0.414 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nccnc1-c1nn[nH]n1)C2 ZINC001606962110 1018898032 /nfs/dbraw/zinc/89/80/32/1018898032.db2.gz DXYQKMDWWYCPQK-JMCQJSRRSA-N -1 0 303.282 -0.806 20 0 DBADRM O=C(Nc1c[nH]nc1-c1nnn[n-]1)[C@H]1CCCCS1(=O)=O ZINC001606946130 1018898188 /nfs/dbraw/zinc/89/81/88/1018898188.db2.gz WAQCDGCTOYGRRM-SSDOTTSWSA-N -1 0 311.327 -0.504 20 0 DBADRM COCc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])ncn1 ZINC001606948103 1018898451 /nfs/dbraw/zinc/89/84/51/1018898451.db2.gz ZWMKYGYMWZGFHX-NXEZZACHSA-N -1 0 322.321 -0.069 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001606939415 1018898457 /nfs/dbraw/zinc/89/84/57/1018898457.db2.gz ZLWSRMQNDPLOSH-RKDXNWHRSA-N -1 0 316.335 -0.450 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606939380 1018898566 /nfs/dbraw/zinc/89/85/66/1018898566.db2.gz YLAGEKVQOTWFTJ-RKDXNWHRSA-N -1 0 323.305 -0.674 20 0 DBADRM COCc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])ncn1 ZINC001606948106 1018898798 /nfs/dbraw/zinc/89/87/98/1018898798.db2.gz ZWMKYGYMWZGFHX-VHSXEESVSA-N -1 0 322.321 -0.069 20 0 DBADRM O=C(Nc1nnc2nc[nH]n21)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001606953990 1018898877 /nfs/dbraw/zinc/89/88/77/1018898877.db2.gz BZRQPSAESOMAEZ-UHFFFAOYSA-N -1 0 312.253 -0.410 20 0 DBADRM COCc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])ncn1 ZINC001606948108 1018899417 /nfs/dbraw/zinc/89/94/17/1018899417.db2.gz ZWMKYGYMWZGFHX-ZJUUUORDSA-N -1 0 322.321 -0.069 20 0 DBADRM COCc1nc(OC)cc(N2CCC[C@H]2C(=O)NCC(=O)[O-])n1 ZINC001606977848 1018901055 /nfs/dbraw/zinc/90/10/55/1018901055.db2.gz GKHAVLWCQGMINW-VIFPVBQESA-N -1 0 324.337 -0.199 20 0 DBADRM CON(C)C(=O)[C@@H](C)N1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001606990116 1018901463 /nfs/dbraw/zinc/90/14/63/1018901463.db2.gz MFORRPNEVLHRCK-VGMNWLOBSA-N -1 0 313.310 -0.478 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])CC2 ZINC001606978113 1018901840 /nfs/dbraw/zinc/90/18/40/1018901840.db2.gz PQRHDIRGIUENJH-AEJSXWLSSA-N -1 0 308.338 -0.034 20 0 DBADRM CON1CCC(NC(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)CC1 ZINC001606994521 1018902303 /nfs/dbraw/zinc/90/23/03/1018902303.db2.gz JINQUMKOXMTQNU-MWLCHTKSSA-N -1 0 301.343 -0.104 20 0 DBADRM COCc1nnc2n1CCN([C@H]1CCN(CCC(=O)[O-])C1=O)C2 ZINC001606981306 1018902639 /nfs/dbraw/zinc/90/26/39/1018902639.db2.gz KSTAOYHPGJKRHW-JTQLQIEISA-N -1 0 323.353 -0.684 20 0 DBADRM CONC(=O)C1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001606996497 1018904021 /nfs/dbraw/zinc/90/40/21/1018904021.db2.gz UTHCNDVEYLOXPR-UHFFFAOYSA-N -1 0 322.383 -0.183 20 0 DBADRM CON1CCC(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1 ZINC001606995005 1018904498 /nfs/dbraw/zinc/90/44/98/1018904498.db2.gz ZHDUQKLLROUYHI-NSHDSACASA-N -1 0 313.354 -0.548 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001606999637 1018904571 /nfs/dbraw/zinc/90/45/71/1018904571.db2.gz ZRXQMOCJJDGKLM-VHSXEESVSA-N -1 0 315.351 -0.722 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001607000090 1018906119 /nfs/dbraw/zinc/90/61/19/1018906119.db2.gz RHLSVNUJDVJDOG-GHMZBOCLSA-N -1 0 310.310 -0.370 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC001607007069 1018907907 /nfs/dbraw/zinc/90/79/07/1018907907.db2.gz PIOKLYHAZXIDKV-BYPYZUCNSA-N -1 0 319.220 -0.169 20 0 DBADRM CO[C@H]1C[C@@H](Cn2nnnc2N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)C1 ZINC001607006156 1018908609 /nfs/dbraw/zinc/90/86/09/1018908609.db2.gz GXOMEEOMKVBMIT-CHWFTXMASA-N -1 0 311.342 -0.224 20 0 DBADRM COc1c(F)cccc1S(=O)(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001607024444 1018912420 /nfs/dbraw/zinc/91/24/20/1018912420.db2.gz IGOMSYWYKFWYBS-NSHDSACASA-N -1 0 307.299 -0.052 20 0 DBADRM COc1c(NC(=O)CNC(=O)CNC(C)=O)cccc1C(=O)[O-] ZINC001607029376 1018917276 /nfs/dbraw/zinc/91/72/76/1018917276.db2.gz GUXBBMUUXPRRKG-UHFFFAOYSA-N -1 0 323.305 -0.416 20 0 DBADRM COc1c(NC(=O)C(=O)NCCNC(C)=O)cccc1C(=O)[O-] ZINC001607026796 1018917601 /nfs/dbraw/zinc/91/76/01/1018917601.db2.gz HJXOMHSBJLCQTH-UHFFFAOYSA-N -1 0 323.305 -0.416 20 0 DBADRM COc1c(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)cccc1C(N)=O ZINC001607029108 1018917689 /nfs/dbraw/zinc/91/76/89/1018917689.db2.gz AFOKVUHESDCPHA-CQSZACIVSA-N -1 0 323.305 -0.153 20 0 DBADRM COc1cc(=O)[nH]cc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001607055970 1018932540 /nfs/dbraw/zinc/93/25/40/1018932540.db2.gz KLIIGXFAQCKHQV-QMMMGPOBSA-N -1 0 309.278 -0.789 20 0 DBADRM O=S(=O)(NCC1CCOCC1)c1cccnc1-c1nnn[n-]1 ZINC001607064423 1018935160 /nfs/dbraw/zinc/93/51/60/1018935160.db2.gz WHERZYQMNWFBGJ-UHFFFAOYSA-N -1 0 324.366 -0.033 20 0 DBADRM O=S(=O)(CCn1cnc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001607061133 1018939894 /nfs/dbraw/zinc/93/98/94/1018939894.db2.gz QLQHOYSTGUSMNO-UHFFFAOYSA-N -1 0 305.323 -0.068 20 0 DBADRM O=S(=O)(c1ccsc1-c1nnn[n-]1)N1C[C@@H]2C[C@]2(O)C1 ZINC001607074082 1018943244 /nfs/dbraw/zinc/94/32/44/1018943244.db2.gz JRVKZKDVDDAUKK-WKEGUHRASA-N -1 0 313.364 -0.317 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N(CCO)C1CCC1 ZINC001607071937 1018943748 /nfs/dbraw/zinc/94/37/48/1018943748.db2.gz SIMAGJAXDMVOIL-UHFFFAOYSA-N -1 0 313.339 -0.005 20 0 DBADRM COc1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1C ZINC001607073644 1018945725 /nfs/dbraw/zinc/94/57/25/1018945725.db2.gz MQNCLTQVDCDTEI-DTWKUNHWSA-N -1 0 322.321 -0.910 20 0 DBADRM COc1cc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)nn1C ZINC001607079332 1018948367 /nfs/dbraw/zinc/94/83/67/1018948367.db2.gz DPLBTAVEKGDYBH-UHFFFAOYSA-N -1 0 320.309 -0.819 20 0 DBADRM O[C@H]1c2ccccc2OC[C@H]1Nc1ccnc(-c2nnn[n-]2)n1 ZINC001607098998 1018960088 /nfs/dbraw/zinc/96/00/88/1018960088.db2.gz CAVYRGPWLNYNQY-SKDRFNHKSA-N -1 0 311.305 -0.015 20 0 DBADRM COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])nn1 ZINC001607203521 1018980072 /nfs/dbraw/zinc/98/00/72/1018980072.db2.gz QQJBNPJDJFPNHN-VIFPVBQESA-N -1 0 308.294 -0.709 20 0 DBADRM COc1cc(CCC(=O)NCCn2cc(C(=O)[O-])nn2)on1 ZINC001607155574 1018980171 /nfs/dbraw/zinc/98/01/71/1018980171.db2.gz PPSAHLLGGUYPEI-UHFFFAOYSA-N -1 0 309.282 -0.278 20 0 DBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@H]1CCNC1=O ZINC001607143418 1018981901 /nfs/dbraw/zinc/98/19/01/1018981901.db2.gz UPACOUSFHUXKGL-QMMMGPOBSA-N -1 0 314.319 -0.440 20 0 DBADRM COc1ccc([C@@H](NCC(=O)N2CCOCC2)C(=O)[O-])cc1O ZINC001607231551 1018982167 /nfs/dbraw/zinc/98/21/67/1018982167.db2.gz MIZNGOTXNQMHKS-CQSZACIVSA-N -1 0 324.333 -0.025 20 0 DBADRM COc1ccc([C@H](NC(=O)CN2CCNC(=O)C2)C(=O)[O-])cc1 ZINC001607226526 1018982217 /nfs/dbraw/zinc/98/22/17/1018982217.db2.gz OXKXYGMMRMWISP-AWEZNQCLSA-N -1 0 321.333 -0.631 20 0 DBADRM COc1ccc(CN2CC[C@H]2C(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC001607254409 1018983163 /nfs/dbraw/zinc/98/31/63/1018983163.db2.gz WYGPKICERPJUIX-OLZOCXBDSA-N -1 0 308.334 -0.169 20 0 DBADRM COc1ccc(C=O)c(OCC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC001607242681 1018984420 /nfs/dbraw/zinc/98/44/20/1018984420.db2.gz POVOZTMHXUNXIR-PWSUYJOCSA-N -1 0 323.301 -0.067 20 0 DBADRM COc1cccc(C[C@@H](O)C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC001607321729 1018985579 /nfs/dbraw/zinc/98/55/79/1018985579.db2.gz MKWWYQVYXQKMST-QWHCGFSZSA-N -1 0 309.318 -0.089 20 0 DBADRM COc1ccnc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001607350393 1018986483 /nfs/dbraw/zinc/98/64/83/1018986483.db2.gz ZOVRVPXHRPZZBS-WDEREUQCSA-N -1 0 319.317 -0.249 20 0 DBADRM COc1ccncc1NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001607350747 1018986522 /nfs/dbraw/zinc/98/65/22/1018986522.db2.gz NYOWPXKZQITKDY-IUCAKERBSA-N -1 0 323.305 -0.677 20 0 DBADRM COc1cnc(F)c(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC001607354640 1018987208 /nfs/dbraw/zinc/98/72/08/1018987208.db2.gz MWZSRWZFHPAOCS-SECBINFHSA-N -1 0 311.269 -0.355 20 0 DBADRM COc1cnc([C@H]2CCC[N@@H+]2CCC(=O)NCC(=O)[O-])[n-]c1=O ZINC001607353927 1018987641 /nfs/dbraw/zinc/98/76/41/1018987641.db2.gz DMTIKYWGPIEOQQ-SECBINFHSA-N -1 0 324.337 -0.081 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001607336669 1018988288 /nfs/dbraw/zinc/98/82/88/1018988288.db2.gz OLDYDWVJGAWRSI-GFCCVEGCSA-N -1 0 322.317 -0.263 20 0 DBADRM COc1ccncc1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001607350745 1018988454 /nfs/dbraw/zinc/98/84/54/1018988454.db2.gz NYOWPXKZQITKDY-BDAKNGLRSA-N -1 0 323.305 -0.677 20 0 DBADRM CS(=O)(=O)C1(C(=O)OCCc2cn(CC(=O)[O-])nn2)CC1 ZINC001607365273 1018989294 /nfs/dbraw/zinc/98/92/94/1018989294.db2.gz MACXVFGMMAUJAA-UHFFFAOYSA-N -1 0 317.323 -0.974 20 0 DBADRM COc1ncc(/C=C\C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cn1 ZINC001607359803 1018990297 /nfs/dbraw/zinc/99/02/97/1018990297.db2.gz OLDJZRPEOVYINU-MXQLGCADSA-N -1 0 320.305 -0.700 20 0 DBADRM CS(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001607366330 1018990947 /nfs/dbraw/zinc/99/09/47/1018990947.db2.gz HIVUTIVVOWDFBV-GFCCVEGCSA-N -1 0 313.331 -0.092 20 0 DBADRM COc1nsc(OC)c1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001607363223 1018991622 /nfs/dbraw/zinc/99/16/22/1018991622.db2.gz LHYBCJRRBJCKBL-NSHDSACASA-N -1 0 302.308 -0.178 20 0 DBADRM COc1nn(C)cc1C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001607362337 1018991766 /nfs/dbraw/zinc/99/17/66/1018991766.db2.gz LDPGFKZYCOWFQF-ZDUSSCGKSA-N -1 0 307.310 -0.102 20 0 DBADRM CS(=O)(=O)CCCC(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001607369508 1018992959 /nfs/dbraw/zinc/99/29/59/1018992959.db2.gz GFXNCFWIEHJOQS-SECBINFHSA-N -1 0 323.367 -0.466 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)NC1CC(CC(=O)[O-])C1 ZINC001607368550 1018993019 /nfs/dbraw/zinc/99/30/19/1018993019.db2.gz GFZXHZFJENQWID-UHFFFAOYSA-N -1 0 313.397 -0.406 20 0 DBADRM CS(=O)(=O)CC1(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)COC1 ZINC001607368694 1018993890 /nfs/dbraw/zinc/99/38/90/1018993890.db2.gz AOGFSLYOKTZEPW-MGCOHNPYSA-N -1 0 319.379 -0.193 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001607370990 1018993943 /nfs/dbraw/zinc/99/39/43/1018993943.db2.gz ZDDDJHQPTOCAAO-BDAKNGLRSA-N -1 0 313.397 -0.406 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001607370369 1018994108 /nfs/dbraw/zinc/99/41/08/1018994108.db2.gz WVESWYIRZRBVIF-RUETXSTFSA-N -1 0 319.379 -0.050 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001607370935 1018994142 /nfs/dbraw/zinc/99/41/42/1018994142.db2.gz WXAZVUHVVCWQMF-MYJAWHEDSA-N -1 0 320.367 -0.980 20 0 DBADRM CS(=O)(=O)CCC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001607369435 1018994184 /nfs/dbraw/zinc/99/41/84/1018994184.db2.gz CQBNORXZDRYNDT-LLVKDONJSA-N -1 0 304.324 -0.747 20 0 DBADRM CS(=O)(=O)CC1CCN(CN2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001607369526 1018994442 /nfs/dbraw/zinc/99/44/42/1018994442.db2.gz GVYWDRZWOMTKNZ-LLVKDONJSA-N -1 0 318.395 -0.366 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCN(Cc2cn(CC(=O)[O-])nn2)C1 ZINC001607368901 1018994786 /nfs/dbraw/zinc/99/47/86/1018994786.db2.gz FLNRMLXSAKZBLK-SNVBAGLBSA-N -1 0 316.383 -0.381 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001607372084 1018995717 /nfs/dbraw/zinc/99/57/17/1018995717.db2.gz PTQRXTSCPIPEFC-MRVPVSSYSA-N -1 0 314.323 -0.463 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC001607374841 1018995817 /nfs/dbraw/zinc/99/58/17/1018995817.db2.gz KJSAESUJDBIOHC-HYXAFXHYSA-N -1 0 314.319 -0.249 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC001607374595 1018996653 /nfs/dbraw/zinc/99/66/53/1018996653.db2.gz ZQUBEAHXLVOYOE-LLVKDONJSA-N -1 0 316.335 -0.427 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607372789 1018996902 /nfs/dbraw/zinc/99/69/02/1018996902.db2.gz RIUHAKUOWAXIEV-MDVIFZSFSA-N -1 0 305.356 -0.914 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607374484 1018997178 /nfs/dbraw/zinc/99/71/78/1018997178.db2.gz DDCWBAOQKPLIEZ-IVZWLZJFSA-N -1 0 319.383 -0.712 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001607374072 1018997674 /nfs/dbraw/zinc/99/76/74/1018997674.db2.gz PYQYZFQNEFTSIF-VHSXEESVSA-N -1 0 322.383 -0.546 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001607375111 1018997780 /nfs/dbraw/zinc/99/77/80/1018997780.db2.gz PAXXIZPJEJJMKN-VIFPVBQESA-N -1 0 313.335 -0.457 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)/C=C/[C@H]1CCOC1)C(=O)[O-] ZINC001607377836 1018998408 /nfs/dbraw/zinc/99/84/08/1018998408.db2.gz SWVNDFTZCSXJGM-GGOZDTEGSA-N -1 0 317.363 -0.417 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@@H]1C[C@]12CCOC2)C(=O)[O-] ZINC001607377258 1018998481 /nfs/dbraw/zinc/99/84/81/1018998481.db2.gz DRHYOGFTFZJQDY-WTTBSCSTSA-N -1 0 317.363 -0.583 20 0 DBADRM C[S@](=O)C1(CNC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CC1 ZINC001607384846 1018999124 /nfs/dbraw/zinc/99/91/24/1018999124.db2.gz LOHCTLOKWKWIEP-CWKPULSASA-N -1 0 318.395 -0.235 20 0 DBADRM CS(=O)(=O)Nc1cccc(C(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001607376716 1018999271 /nfs/dbraw/zinc/99/92/71/1018999271.db2.gz XEGVGPWNXGJTLS-JTQLQIEISA-N -1 0 316.335 -0.377 20 0 DBADRM CS(=O)(=O)c1ccc(NCC(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC001607382039 1018999443 /nfs/dbraw/zinc/99/94/43/1018999443.db2.gz GGLSJOWHTFQLCI-JTQLQIEISA-N -1 0 316.335 -0.936 20 0 DBADRM CS(=O)(=O)c1ccc(N)c(C(=O)N[C@@H](CF)C(=O)[O-])c1 ZINC001607381555 1018999522 /nfs/dbraw/zinc/99/95/22/1018999522.db2.gz KXJVIEJXMAWDEI-VIFPVBQESA-N -1 0 304.299 -0.175 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1cncc(O)c1)C(=O)[O-] ZINC001607377150 1018999775 /nfs/dbraw/zinc/99/97/75/1018999775.db2.gz ZMULKRLIXWQJNW-JOYOIKCWSA-N -1 0 314.319 -0.595 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)NCC(F)F)C(=O)[O-] ZINC001607377265 1019000283 /nfs/dbraw/zinc/00/02/83/1019000283.db2.gz DZOUOVUKMQDZPJ-SSDLBLMSSA-N -1 0 300.283 -0.561 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)o1 ZINC001607379711 1019000591 /nfs/dbraw/zinc/00/05/91/1019000591.db2.gz KCNJOSMZWUJAFN-LLVKDONJSA-N -1 0 303.292 -0.655 20 0 DBADRM CSC[C@@](C)(O)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001607392962 1019001481 /nfs/dbraw/zinc/00/14/81/1019001481.db2.gz QCOXHEUFFOMMQB-RNCFNFMXSA-N -1 0 318.395 -0.460 20 0 DBADRM CSCC[C@H](O)C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001607396458 1019001903 /nfs/dbraw/zinc/00/19/03/1019001903.db2.gz FNXPDSNGMKONAS-IUCAKERBSA-N -1 0 307.368 -0.177 20 0 DBADRM CS/C=C\C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001607393615 1019002099 /nfs/dbraw/zinc/00/20/99/1019002099.db2.gz DZDMAGHCTWWBRM-YWUCGTOHSA-N -1 0 313.335 -0.531 20 0 DBADRM CSC[C@H](CCO)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001607395299 1019002479 /nfs/dbraw/zinc/00/24/79/1019002479.db2.gz UNXFJZNSELZESG-VIFPVBQESA-N -1 0 314.363 -0.223 20 0 DBADRM CSCC[C@@H](O)C(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001607396459 1019002938 /nfs/dbraw/zinc/00/29/38/1019002938.db2.gz FNXPDSNGMKONAS-RKDXNWHRSA-N -1 0 307.368 -0.177 20 0 DBADRM CSCC[C@H](NC(=O)Cn1ccc(C(=O)[O-])n1)C(N)=O ZINC001607399661 1019003925 /nfs/dbraw/zinc/00/39/25/1019003925.db2.gz FAVJKHRCWGPZAH-ZETCQYMHSA-N -1 0 300.340 -0.696 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)C(=O)N(C)C ZINC001607422726 1019003947 /nfs/dbraw/zinc/00/39/47/1019003947.db2.gz XNBCVNCZNFWNIY-SSDOTTSWSA-N -1 0 301.324 -0.465 20 0 DBADRM C[C@@H](CCNC(=O)Cc1cc[nH]n1)Nc1ccnc(C(=O)[O-])n1 ZINC001607419879 1019004793 /nfs/dbraw/zinc/00/47/93/1019004793.db2.gz PGLSWOKKCMXOGM-VIFPVBQESA-N -1 0 318.337 -0.131 20 0 DBADRM C[C@@H](NC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)C(=O)[O-] ZINC001607420290 1019005052 /nfs/dbraw/zinc/00/50/52/1019005052.db2.gz JBRZFIJDAMHGAF-SNVBAGLBSA-N -1 0 322.317 -0.041 20 0 DBADRM CSCC[C@@H](OC(=O)C1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001607396983 1019005264 /nfs/dbraw/zinc/00/52/64/1019005264.db2.gz LDBTZJOZPAVTCI-MRVPVSSYSA-N -1 0 311.381 -0.373 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC(F)(F)C2)C[C@@H](C(=O)[O-])O1 ZINC001607428682 1019006288 /nfs/dbraw/zinc/00/62/88/1019006288.db2.gz OHFMAPFFMNVUDZ-VGMNWLOBSA-N -1 0 320.292 -0.009 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(C3(O)CC3)CC2)C[C@H]1C(=O)[O-] ZINC001607428766 1019006847 /nfs/dbraw/zinc/00/68/47/1019006847.db2.gz MWTVWSXUDABEQT-ZYHUDNBSSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCc2ccnn2C)C[C@H]1C(=O)[O-] ZINC001607427589 1019006947 /nfs/dbraw/zinc/00/69/47/1019006947.db2.gz FXQUWYMKWRKDJM-MWLCHTKSSA-N -1 0 308.338 -0.742 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCc2cnn(C)c2)C[C@H]1C(=O)[O-] ZINC001607427947 1019007168 /nfs/dbraw/zinc/00/71/68/1019007168.db2.gz OWFHFVZZTVRYKF-MWLCHTKSSA-N -1 0 308.338 -0.742 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CNC(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC001607424396 1019007226 /nfs/dbraw/zinc/00/72/26/1019007226.db2.gz QZXGNABWLPRKAE-KBUNVGBDSA-N -1 0 316.260 -0.355 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1CC(=O)[O-] ZINC001607428282 1019008450 /nfs/dbraw/zinc/00/84/50/1019008450.db2.gz UAYXQTRJEAZIED-OOCWMUITSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCN1S(C)(=O)=O ZINC001607434589 1019008846 /nfs/dbraw/zinc/00/88/46/1019008846.db2.gz DDEXQKADLPMSSS-BBBLOLIVSA-N -1 0 304.368 -0.411 20 0 DBADRM C[C@@H]1CN(CC2(O)CCS(=O)(=O)CC2)C[C@@H](C(=O)[O-])O1 ZINC001607437102 1019009671 /nfs/dbraw/zinc/00/96/71/1019009671.db2.gz CJMWJFUQCRHZTF-ZJUUUORDSA-N -1 0 307.368 -0.900 20 0 DBADRM C[C@@H]1CN(Cc2nnnn2CC(F)(F)F)C[C@@H](C(=O)[O-])O1 ZINC001607438907 1019010091 /nfs/dbraw/zinc/01/00/91/1019010091.db2.gz HMQMZOSEZIGOJL-RQJHMYQMSA-N -1 0 309.248 -0.091 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1CC(=O)[O-] ZINC001607431596 1019010963 /nfs/dbraw/zinc/01/09/63/1019010963.db2.gz DXJXIHDBCIHUNX-NXEZZACHSA-N -1 0 309.322 -0.884 20 0 DBADRM C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001607439980 1019011936 /nfs/dbraw/zinc/01/19/36/1019011936.db2.gz HGDHDUKFEORCBN-ZETOZRRWSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H]1CN(Cc2nnc3c(=O)n(C)ccn23)C[C@@H](C(=O)[O-])O1 ZINC001607438963 1019012345 /nfs/dbraw/zinc/01/23/45/1019012345.db2.gz MFGAECLIPYMIBR-BDAKNGLRSA-N -1 0 307.310 -0.898 20 0 DBADRM C[C@@H]1CN(c2nnnn2C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@H]1C(=O)[O-] ZINC001607440800 1019012728 /nfs/dbraw/zinc/01/27/28/1019012728.db2.gz LRMDZBOSXAFLOI-ZIQFBCGOSA-N -1 0 323.353 -0.366 20 0 DBADRM C[C@@H]1CN(c2nnc([C@@]3(C)C[C@@H](O)CN3C)n2C)C[C@H]1C(=O)[O-] ZINC001607440114 1019013773 /nfs/dbraw/zinc/01/37/73/1019013773.db2.gz BMWTWWSCQRFFQA-UYUMYWFVSA-N -1 0 323.397 -0.116 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)O[C@H]1C(=O)[O-] ZINC001607444128 1019013860 /nfs/dbraw/zinc/01/38/60/1019013860.db2.gz GQLGREJLNLPVIT-VVULQXIFSA-N -1 0 305.352 -0.444 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cc2n(n1)CCCC2=O)C(=O)[O-] ZINC001607458092 1019014630 /nfs/dbraw/zinc/01/46/30/1019014630.db2.gz AXYVTSIHORSZTA-YUMQZZPRSA-N -1 0 322.321 -0.433 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1COC[C@H]1C1CC1)C(=O)[O-] ZINC001607458012 1019014758 /nfs/dbraw/zinc/01/47/58/1019014758.db2.gz BRDJDKALKHDWRX-MPKXCIJOSA-N -1 0 313.354 -0.312 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)C(C)(C)C(N)=O ZINC001607454288 1019015702 /nfs/dbraw/zinc/01/57/02/1019015702.db2.gz ZHEDTJRWSHEVFA-SSDOTTSWSA-N -1 0 309.326 -0.975 20 0 DBADRM C[C@]12CN(CC(N)=O)C[C@@]1(C)CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C2 ZINC001607448914 1019015998 /nfs/dbraw/zinc/01/59/98/1019015998.db2.gz BGWYHSCBLVTVCQ-FCIDVOKBSA-N -1 0 309.366 -0.637 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1C[C@H](O)CC(F)(F)C1)C(=O)[O-] ZINC001607458481 1019016292 /nfs/dbraw/zinc/01/62/92/1019016292.db2.gz KRFWGNCEAOLSCA-BIIVOSGPSA-N -1 0 323.296 -0.624 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCCC1(C)OCCO1)C(=O)[O-] ZINC001607459586 1019017000 /nfs/dbraw/zinc/01/70/00/1019017000.db2.gz RAHXNWGSZMVPGV-IUCAKERBSA-N -1 0 317.342 -0.584 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@H](O)[C@@H](F)C1)C(=O)[O-] ZINC001607459299 1019017449 /nfs/dbraw/zinc/01/74/49/1019017449.db2.gz YKMKWBGOLPSDGP-JBDRJPRFSA-N -1 0 305.306 -0.922 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cccc2ncnn21)C(=O)[O-] ZINC001607459691 1019017526 /nfs/dbraw/zinc/01/75/26/1019017526.db2.gz HDFJUKATTDPWRZ-YUMQZZPRSA-N -1 0 305.294 -0.563 20 0 DBADRM C[C@H](NC(N)=O)C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1[C@H]1CCCO1 ZINC001607460944 1019018527 /nfs/dbraw/zinc/01/85/27/1019018527.db2.gz KEEOFOFXSNGIQR-UKKRHICBSA-N -1 0 313.354 -0.086 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCO[C@@H](C(F)F)C1)C(=O)[O-] ZINC001607459208 1019019051 /nfs/dbraw/zinc/01/90/51/1019019051.db2.gz MEUNMEFEDQUDTM-BIIVOSGPSA-N -1 0 323.296 -0.360 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@@H](O)[C@@H](F)C1)C(=O)[O-] ZINC001607459302 1019019339 /nfs/dbraw/zinc/01/93/39/1019019339.db2.gz YKMKWBGOLPSDGP-XSPKLOCKSA-N -1 0 305.306 -0.922 20 0 DBADRM C[C@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001607468594 1019020327 /nfs/dbraw/zinc/02/03/27/1019020327.db2.gz GRKJYGWAFUHZQI-AXFHLTTASA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCOC2CCC2)C[C@@H](C(=O)[O-])O1 ZINC001607467885 1019020984 /nfs/dbraw/zinc/02/09/84/1019020984.db2.gz ODBAAVPCZRGFGB-ONGXEEELSA-N -1 0 314.338 -0.628 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CCc3nnn(C)c3C2)C[C@@H](C(=O)[O-])O1 ZINC001607467954 1019021015 /nfs/dbraw/zinc/02/10/15/1019021015.db2.gz ADUQAXCIJJBZNI-AUTRQRHGSA-N -1 0 308.338 -0.380 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607483883 1019023080 /nfs/dbraw/zinc/02/30/80/1019023080.db2.gz ODIKMRAFHZGDGJ-SFYZADRCSA-N -1 0 308.294 -0.915 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1C[C@H](O)C[C@H](C)C1)C(=O)[O-] ZINC001607480065 1019024054 /nfs/dbraw/zinc/02/40/54/1019024054.db2.gz RMIHRIKGYVLNFT-AATLWQCWSA-N -1 0 301.343 -0.624 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CCN(C(=O)CO)CC1 ZINC001607491789 1019024149 /nfs/dbraw/zinc/02/41/49/1019024149.db2.gz XOWVQNBANGQDEK-UHFFFAOYSA-N -1 0 309.322 -0.394 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001607484286 1019024489 /nfs/dbraw/zinc/02/44/89/1019024489.db2.gz XNBPYIJNCZGJJT-ZCFIWIBFSA-N -1 0 305.237 -0.037 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607500157 1019026076 /nfs/dbraw/zinc/02/60/76/1019026076.db2.gz MYIWWRQPJBHMNM-AATLWQCWSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1c(C(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cnn1C ZINC001607507943 1019026124 /nfs/dbraw/zinc/02/61/24/1019026124.db2.gz IKONSORMOIOXGU-VHSXEESVSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1c(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)ccn1C ZINC001607504402 1019026197 /nfs/dbraw/zinc/02/61/97/1019026197.db2.gz MCMZEDDHKGJVBT-RYUDHWBXSA-N -1 0 305.334 -0.005 20 0 DBADRM Cc1[nH]ccc1C(=O)N(CCO)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001607499570 1019026491 /nfs/dbraw/zinc/02/64/91/1019026491.db2.gz OQGMBMUTARLZJD-RYUDHWBXSA-N -1 0 323.349 -0.405 20 0 DBADRM Cc1c(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)nnn1-c1cnn(C)c1 ZINC001607510194 1019026537 /nfs/dbraw/zinc/02/65/37/1019026537.db2.gz ZMLYQFRUFYETQC-KYZUINATSA-N -1 0 304.310 -0.098 20 0 DBADRM Cc1c(NC(=O)C(=O)NC2(CO)CCC2)cnn1CC(=O)[O-] ZINC001607536857 1019028046 /nfs/dbraw/zinc/02/80/46/1019028046.db2.gz KZGALOKQJNETCA-UHFFFAOYSA-N -1 0 310.310 -0.754 20 0 DBADRM Cc1c(NC(=O)[C@H]2CCc3nnnn3CC2)cnn1CC(=O)[O-] ZINC001607541504 1019028260 /nfs/dbraw/zinc/02/82/60/1019028260.db2.gz XFKHNZWRAUMRDK-VIFPVBQESA-N -1 0 319.325 -0.146 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cnn1C ZINC001607535118 1019028942 /nfs/dbraw/zinc/02/89/42/1019028942.db2.gz KYTMSUJARNSAAX-UWVGGRQHSA-N -1 0 310.310 -0.896 20 0 DBADRM Cc1c(CN(C)C(=O)NCCn2cc(C(=O)[O-])nn2)cnn1C ZINC001607527548 1019028995 /nfs/dbraw/zinc/02/89/95/1019028995.db2.gz BRTKAJKIEAHAPR-UHFFFAOYSA-N -1 0 321.341 -0.140 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@@H](C)[C@H](O)C2)cnn1CC(=O)[O-] ZINC001607535117 1019029533 /nfs/dbraw/zinc/02/95/33/1019029533.db2.gz HZAALTAHLFCHBO-GMSGAONNSA-N -1 0 310.310 -0.946 20 0 DBADRM Cc1c[nH]nc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607556591 1019029590 /nfs/dbraw/zinc/02/95/90/1019029590.db2.gz QRGVSXQXSLNDHA-AATLWQCWSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1c(S(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cnn1C ZINC001607554858 1019029645 /nfs/dbraw/zinc/02/96/45/1019029645.db2.gz WKMHKPMIZHSKOJ-LLVKDONJSA-N -1 0 317.367 -0.425 20 0 DBADRM Cc1cc(C(=O)NCC2CN(S(C)(=O)=O)C2)oc1C(=O)[O-] ZINC001607579178 1019030585 /nfs/dbraw/zinc/03/05/85/1019030585.db2.gz MTNPIEYCTXPDCL-UHFFFAOYSA-N -1 0 316.335 -0.093 20 0 DBADRM Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c(C)nn1 ZINC001607569237 1019030771 /nfs/dbraw/zinc/03/07/71/1019030771.db2.gz DYAWIMSXANXYID-VXGBXAGGSA-N -1 0 318.333 -0.245 20 0 DBADRM Cc1cc(=O)[nH]cc1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607561813 1019030942 /nfs/dbraw/zinc/03/09/42/1019030942.db2.gz MYXMEJWNQBHRSL-ZJUUUORDSA-N -1 0 319.317 -0.243 20 0 DBADRM Cc1cc(=O)c(C(=O)NCCC(=O)NCCC(=O)[O-])cn1C ZINC001607562252 1019031519 /nfs/dbraw/zinc/03/15/19/1019031519.db2.gz VGLBSSSDRQNZGC-UHFFFAOYSA-N -1 0 309.322 -0.595 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001607560752 1019031808 /nfs/dbraw/zinc/03/18/08/1019031808.db2.gz RRMGHFNNBHQIBJ-ZJUUUORDSA-N -1 0 309.322 -0.007 20 0 DBADRM Cc1nn(C)c2nc(C)cc(C(=O)NCC(=O)NCC(=O)[O-])c12 ZINC001607576493 1019032468 /nfs/dbraw/zinc/03/24/68/1019032468.db2.gz AEVQRCGQGIHNIQ-UHFFFAOYSA-N -1 0 319.321 -0.484 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](C)Nc2ccnc(C(=O)[O-])n2)n(C)n1 ZINC001607578063 1019032652 /nfs/dbraw/zinc/03/26/52/1019032652.db2.gz IQWFLZCCHMQIPO-SECBINFHSA-N -1 0 318.337 -0.131 20 0 DBADRM Cc1cc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c(C)n1NC(N)=O ZINC001607569796 1019032764 /nfs/dbraw/zinc/03/27/64/1019032764.db2.gz QMHBVRFHSLHAIC-VHSXEESVSA-N -1 0 324.337 -0.365 20 0 DBADRM Cc1cc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n(C)n1 ZINC001607571920 1019032847 /nfs/dbraw/zinc/03/28/47/1019032847.db2.gz SARGHUAUBBMABG-WDEREUQCSA-N -1 0 320.349 -0.266 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1(C)CC1 ZINC001502362158 1019033077 /nfs/dbraw/zinc/03/30/77/1019033077.db2.gz CWSFKUZMJGEUHJ-MRVPVSSYSA-N -1 0 308.338 -0.480 20 0 DBADRM Cc1cc(CCC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])[nH]n1 ZINC001607637593 1019033261 /nfs/dbraw/zinc/03/32/61/1019033261.db2.gz JKUBCWWNGBFCEO-LLVKDONJSA-N -1 0 308.338 -0.157 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)n[nH]1 ZINC001607641982 1019033599 /nfs/dbraw/zinc/03/35/99/1019033599.db2.gz XVUUFNBFJMLYSO-SNVBAGLBSA-N -1 0 310.310 -0.964 20 0 DBADRM Cc1cc(C)cc(C(=O)NCC(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001607623717 1019033651 /nfs/dbraw/zinc/03/36/51/1019033651.db2.gz PCKNOPREGUQJMX-LBPRGKRZSA-N -1 0 308.334 -0.015 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)NC1CCN(CC(N)=O)CC1 ZINC001607603880 1019033826 /nfs/dbraw/zinc/03/38/26/1019033826.db2.gz GGTUSGLXCRLNEW-UHFFFAOYSA-N -1 0 309.322 -0.034 20 0 DBADRM Cc1cc(CC(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n(C)n1 ZINC001607635966 1019034062 /nfs/dbraw/zinc/03/40/62/1019034062.db2.gz JGJGLGQHPQHQLD-NEPJUHHUSA-N -1 0 320.349 -0.681 20 0 DBADRM Cc1cc(CNS(=O)(=O)N2CCOCC2)oc1C(=O)[O-] ZINC001607649402 1019034397 /nfs/dbraw/zinc/03/43/97/1019034397.db2.gz BIYUYPMNAMCELG-UHFFFAOYSA-N -1 0 304.324 -0.047 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])n1 ZINC001607630170 1019034441 /nfs/dbraw/zinc/03/44/41/1019034441.db2.gz VAUVUGSYIYDCIH-LLVKDONJSA-N -1 0 308.338 -0.308 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2CCC3(CC2)C[C@H](O)CNC3=O)n1 ZINC001607599683 1019035506 /nfs/dbraw/zinc/03/55/06/1019035506.db2.gz IPNWQVRAWMIGAC-JTQLQIEISA-N -1 0 320.349 -0.049 20 0 DBADRM Cc1cc(C)n2nc(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])nc2n1 ZINC001607631821 1019035569 /nfs/dbraw/zinc/03/55/69/1019035569.db2.gz PQENXPAGIKEDKV-NXEZZACHSA-N -1 0 319.321 -0.039 20 0 DBADRM Cc1cc(C[C@@H](C)NS(=O)(=O)N(C)CCC(=O)[O-])[nH]n1 ZINC001607637588 1019035632 /nfs/dbraw/zinc/03/56/32/1019035632.db2.gz JHSMOFYIQNFWOF-SECBINFHSA-N -1 0 304.372 -0.110 20 0 DBADRM Cc1cc(CN2CCN(CC(N)=O)C(=O)C2)ccc1C(=O)[O-] ZINC001607641518 1019035661 /nfs/dbraw/zinc/03/56/61/1019035661.db2.gz ZKILCYHBXPTUQU-UHFFFAOYSA-N -1 0 305.334 -0.177 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCNC(=O)C[C@H]2C)c(C(=O)[O-])[nH]1 ZINC001607671305 1019037216 /nfs/dbraw/zinc/03/72/16/1019037216.db2.gz ZHRILXNTLQNEDX-MRVPVSSYSA-N -1 0 322.321 -0.303 20 0 DBADRM Cc1cc(N(C)C[C@@H]2COCCO2)n2nc(C(=O)[O-])nc2n1 ZINC001607669721 1019038213 /nfs/dbraw/zinc/03/82/13/1019038213.db2.gz RTKLBVPHZREKHX-SECBINFHSA-N -1 0 307.310 -0.017 20 0 DBADRM Cc1ccc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)c(=O)[nH]1 ZINC001607732029 1019040444 /nfs/dbraw/zinc/04/04/44/1019040444.db2.gz DFWFAGOZMDWSKB-UHFFFAOYSA-N -1 0 317.305 -0.152 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCC(O)(CO)CC2)oc1C(=O)[O-] ZINC001607704588 1019041368 /nfs/dbraw/zinc/04/13/68/1019041368.db2.gz XNDQHBPHDRAIIC-UHFFFAOYSA-N -1 0 319.335 -0.206 20 0 DBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@](C)(CO)C(=O)[O-])C2=O ZINC001607828998 1019041698 /nfs/dbraw/zinc/04/16/98/1019041698.db2.gz AWYFQUNSSBHIEM-HNNXBMFYSA-N -1 0 320.301 -0.457 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCn2cnnn2)c(C(=O)[O-])c1 ZINC001607821492 1019042528 /nfs/dbraw/zinc/04/25/28/1019042528.db2.gz ZBTXTFFDRWGWPC-UHFFFAOYSA-N -1 0 311.323 -0.342 20 0 DBADRM Cc1cccc(S(=O)(=O)N(CCO)CCO)c1C(=O)[O-] ZINC001607861417 1019042680 /nfs/dbraw/zinc/04/26/80/1019042680.db2.gz XDGFCPBUBJUOFP-UHFFFAOYSA-N -1 0 303.336 -0.331 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCCOCC(=O)[O-] ZINC001607838383 1019043202 /nfs/dbraw/zinc/04/32/02/1019043202.db2.gz IMALLTCCJBESTR-CQSZACIVSA-N -1 0 312.322 -0.875 20 0 DBADRM Cc1ccnc(C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001607892652 1019044629 /nfs/dbraw/zinc/04/46/29/1019044629.db2.gz DJEGFPOQIVOOII-VHSXEESVSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1ccn(CC(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001607892315 1019044788 /nfs/dbraw/zinc/04/47/88/1019044788.db2.gz VPKDZMGWFUMGNC-MNOVXSKESA-N -1 0 320.349 -0.323 20 0 DBADRM Cc1cn2nnc(C(=O)N3CCC[C@@H](O)[C@@H]3C(=O)[O-])c2c(=O)[nH]1 ZINC001607903059 1019045185 /nfs/dbraw/zinc/04/51/85/1019045185.db2.gz MPZJQDQTNHZLQQ-VXNVDRBHSA-N -1 0 321.293 -0.812 20 0 DBADRM Cc1ccncc1CCNC(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001607898235 1019045258 /nfs/dbraw/zinc/04/52/58/1019045258.db2.gz UWPJJLSHLMLBQK-VXGBXAGGSA-N -1 0 305.334 -0.114 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607898900 1019045425 /nfs/dbraw/zinc/04/54/25/1019045425.db2.gz HRPQRJDNIPHISD-WHOHXGKFSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1ccccc1[C@@H](CC(=O)NC[C@H](O)C(=O)[O-])NC(N)=O ZINC001607874704 1019045443 /nfs/dbraw/zinc/04/54/43/1019045443.db2.gz CFBKGUJLIGLRDX-MNOVXSKESA-N -1 0 309.322 -0.344 20 0 DBADRM Cc1ccn(CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001607892314 1019045726 /nfs/dbraw/zinc/04/57/26/1019045726.db2.gz VPKDZMGWFUMGNC-GHMZBOCLSA-N -1 0 320.349 -0.323 20 0 DBADRM Cc1cn2ccc(NC(=O)C(=O)NCCOCC(=O)[O-])cc2n1 ZINC001607902676 1019045907 /nfs/dbraw/zinc/04/59/07/1019045907.db2.gz AWFGOPPYEBHREG-UHFFFAOYSA-N -1 0 320.305 -0.201 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607898898 1019046883 /nfs/dbraw/zinc/04/68/83/1019046883.db2.gz HRPQRJDNIPHISD-KXNHARMFSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1cncn1CC(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001607914379 1019047810 /nfs/dbraw/zinc/04/78/10/1019047810.db2.gz UOBNMCUQSQIMNG-VIFPVBQESA-N -1 0 318.337 -0.282 20 0 DBADRM Cc1cncc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001607911214 1019047892 /nfs/dbraw/zinc/04/78/92/1019047892.db2.gz CNYMGLPQNKCPEQ-VHSXEESVSA-N -1 0 300.336 -0.154 20 0 DBADRM Cc1cnc2nc(C(=O)N3CCC(O)(C(=O)[O-])CC3)nn2c1 ZINC001607908638 1019048393 /nfs/dbraw/zinc/04/83/93/1019048393.db2.gz IWIBVYIWTMRILB-UHFFFAOYSA-N -1 0 305.294 -0.516 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@H](C)/C=C\C(=O)[O-] ZINC001607911107 1019048776 /nfs/dbraw/zinc/04/87/76/1019048776.db2.gz WQWOLUWJUSNQCB-PULIVWKDSA-N -1 0 313.335 -0.052 20 0 DBADRM Cc1cnn(CC(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)c1 ZINC001607916153 1019049582 /nfs/dbraw/zinc/04/95/82/1019049582.db2.gz JIXKRWPXDHQDMK-WDEREUQCSA-N -1 0 320.349 -0.323 20 0 DBADRM Cc1cncc(CNC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001607909733 1019049712 /nfs/dbraw/zinc/04/97/12/1019049712.db2.gz LYQONDLIRPKATK-RYUDHWBXSA-N -1 0 321.333 -0.700 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@@H](O)[C@H](F)C2)c1C(=O)[O-] ZINC001607936273 1019050517 /nfs/dbraw/zinc/05/05/17/1019050517.db2.gz BBEWXIZQAQBMCY-RNFRBKRXSA-N -1 0 307.303 -0.490 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CC(=O)NCC12COC2 ZINC001607919616 1019051101 /nfs/dbraw/zinc/05/11/01/1019051101.db2.gz YVFLEDPRSWIXBO-UHFFFAOYSA-N -1 0 308.290 -0.444 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001607936312 1019052860 /nfs/dbraw/zinc/05/28/60/1019052860.db2.gz BRBWHLQCCDQRCB-YUMQZZPRSA-N -1 0 318.355 -0.717 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001607936871 1019052969 /nfs/dbraw/zinc/05/29/69/1019052969.db2.gz MMIVUYYMEOVAOO-QMMMGPOBSA-N -1 0 319.339 -0.479 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2C[C@@H]3C[C@]3(CO)C2)c1C(=O)[O-] ZINC001607936901 1019052984 /nfs/dbraw/zinc/05/29/84/1019052984.db2.gz MOOROCBOMQZPGW-WRWORJQWSA-N -1 0 301.324 -0.581 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N3CC[C@H](C(=O)[O-])C3)nn2)no1 ZINC001607961207 1019053378 /nfs/dbraw/zinc/05/33/78/1019053378.db2.gz JXDIPNCONUALRS-QMMMGPOBSA-N -1 0 306.282 -0.435 20 0 DBADRM Cc1n[nH]nc1C(=O)N(C)CCN(C)c1ncc(C(=O)[O-])cn1 ZINC001607939860 1019053706 /nfs/dbraw/zinc/05/37/06/1019053706.db2.gz WZRDOIFUNGLXSK-UHFFFAOYSA-N -1 0 319.325 -0.190 20 0 DBADRM Cc1nc(C(=O)NC2CC(CC(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001607945991 1019054021 /nfs/dbraw/zinc/05/40/21/1019054021.db2.gz NJCBONXEECNILK-UHFFFAOYSA-N -1 0 305.298 -0.323 20 0 DBADRM Cc1nc(Cn2nnc(C(=O)N(C)[C@@H](C)C(=O)[O-])c2C)no1 ZINC001607960256 1019054247 /nfs/dbraw/zinc/05/42/47/1019054247.db2.gz GKKGGUGDXDGSTG-ZETCQYMHSA-N -1 0 308.298 -0.129 20 0 DBADRM Cc1nc(CS(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)no1 ZINC001607960454 1019054517 /nfs/dbraw/zinc/05/45/17/1019054517.db2.gz URQKKIKSLISTKG-SNVBAGLBSA-N -1 0 305.312 -0.569 20 0 DBADRM Cc1nc(C(=O)N2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c[nH]1 ZINC001607943567 1019054555 /nfs/dbraw/zinc/05/45/55/1019054555.db2.gz BIYLQEBCBZSWLO-UWVGGRQHSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1nc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])c(=O)[nH]c1C ZINC001607945995 1019054591 /nfs/dbraw/zinc/05/45/91/1019054591.db2.gz NOLZVDDBNMUDLZ-SECBINFHSA-N -1 0 305.294 -0.534 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N3CC[C@@H](C(=O)[O-])C3)nn2)no1 ZINC001607961206 1019055642 /nfs/dbraw/zinc/05/56/42/1019055642.db2.gz JXDIPNCONUALRS-MRVPVSSYSA-N -1 0 306.282 -0.435 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@H]2COCCO2)c1C(=O)[O-] ZINC001607941074 1019055805 /nfs/dbraw/zinc/05/58/05/1019055805.db2.gz XAUSUUNAIXNBMU-ZETCQYMHSA-N -1 0 305.312 -0.890 20 0 DBADRM Cc1ncc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1C ZINC001607976058 1019057088 /nfs/dbraw/zinc/05/70/88/1019057088.db2.gz SRMOHNGWFFXPNB-GHMZBOCLSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1nc(NC(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)nn1C ZINC001607962804 1019057733 /nfs/dbraw/zinc/05/77/33/1019057733.db2.gz ILTCWNFGXQHFAX-SECBINFHSA-N -1 0 309.326 -0.321 20 0 DBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC[C@H](O)C(=O)[O-] ZINC001607972964 1019057759 /nfs/dbraw/zinc/05/77/59/1019057759.db2.gz RPBQBLYYRZVCAA-VIFPVBQESA-N -1 0 308.294 -0.844 20 0 DBADRM Cc1ncc(CC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)o1 ZINC001607978338 1019058211 /nfs/dbraw/zinc/05/82/11/1019058211.db2.gz NGHHNRYYVHHBTJ-HNNXBMFYSA-N -1 0 323.349 -0.087 20 0 DBADRM Cc1ncc(NC(=O)NC[C@@H](O)Cn2ccnn2)cc1C(=O)[O-] ZINC001607980617 1019058325 /nfs/dbraw/zinc/05/83/25/1019058325.db2.gz JLUXHGWGCFXMMB-SNVBAGLBSA-N -1 0 320.309 -0.138 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607975316 1019058908 /nfs/dbraw/zinc/05/89/08/1019058908.db2.gz ABCUVEASFSXYGT-BDAKNGLRSA-N -1 0 320.305 -0.848 20 0 DBADRM Cc1ncc(C(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1C ZINC001607976308 1019059090 /nfs/dbraw/zinc/05/90/90/1019059090.db2.gz XUGULMHHHFYNSB-VHSXEESVSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1nc2ccnn2cc1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001607974308 1019059126 /nfs/dbraw/zinc/05/91/26/1019059126.db2.gz FBKBPAZBMJYRTC-IUCAKERBSA-N -1 0 319.321 -0.255 20 0 DBADRM Cc1ncncc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001607991017 1019060370 /nfs/dbraw/zinc/06/03/70/1019060370.db2.gz SZCYGNBGBWZGGP-NXEZZACHSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1ncncc1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001607990228 1019060940 /nfs/dbraw/zinc/06/09/40/1019060940.db2.gz DKSCYLMHESAAHX-UHFFFAOYSA-N -1 0 313.335 -0.453 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001607997053 1019061734 /nfs/dbraw/zinc/06/17/34/1019061734.db2.gz WQZFOUFQJMGUTE-JTQLQIEISA-N -1 0 319.321 -0.245 20 0 DBADRM Cc1nccnc1CCNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001607991555 1019061793 /nfs/dbraw/zinc/06/17/93/1019061793.db2.gz UCMLZJLTSADNJZ-WDEREUQCSA-N -1 0 308.338 -0.195 20 0 DBADRM Cc1ncn(C)c1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001607990388 1019062245 /nfs/dbraw/zinc/06/22/45/1019062245.db2.gz HMBMVDBSVLDCGC-MNOVXSKESA-N -1 0 320.349 -0.266 20 0 DBADRM Cc1ncncc1C(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001607991020 1019062391 /nfs/dbraw/zinc/06/23/91/1019062391.db2.gz SZCYGNBGBWZGGP-ZJUUUORDSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1nn(CC(=O)N[C@@H](CC(=O)[O-])c2ccncc2)c(=O)n1C ZINC001608004602 1019062721 /nfs/dbraw/zinc/06/27/21/1019062721.db2.gz SMTYUPSIGGDTER-NSHDSACASA-N -1 0 319.321 -0.383 20 0 DBADRM Cc1nn(C)cc1CCC(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001608003336 1019062926 /nfs/dbraw/zinc/06/29/26/1019062926.db2.gz VDMBOLSMMXJQEX-LLVKDONJSA-N -1 0 306.326 -0.478 20 0 DBADRM Cc1nn(C)cc1C(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608005796 1019063013 /nfs/dbraw/zinc/06/30/13/1019063013.db2.gz YYRUAYYLVFHCHU-UWVGGRQHSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1nn(CCS(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])c(=O)o1 ZINC001608011581 1019063034 /nfs/dbraw/zinc/06/30/34/1019063034.db2.gz OCTTWDOATPUEDU-SECBINFHSA-N -1 0 319.339 -0.683 20 0 DBADRM Cc1nn(C)cc1CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001608003346 1019063194 /nfs/dbraw/zinc/06/31/94/1019063194.db2.gz WAQRQRYETULSHW-LLVKDONJSA-N -1 0 308.338 -0.332 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001608003615 1019063386 /nfs/dbraw/zinc/06/33/86/1019063386.db2.gz IUAIPGUVUQBKQK-SECBINFHSA-N -1 0 317.367 -0.366 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](O)CNC(=O)c1cc(C(=O)[O-])nn1C ZINC001608001197 1019063699 /nfs/dbraw/zinc/06/36/99/1019063699.db2.gz WICQBIPLLOWREM-LLVKDONJSA-N -1 0 321.337 -0.068 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001608000278 1019064882 /nfs/dbraw/zinc/06/48/82/1019064882.db2.gz WCUGKCWERZVESF-YGRLFVJLSA-N -1 0 310.354 -0.115 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001607999615 1019064958 /nfs/dbraw/zinc/06/49/58/1019064958.db2.gz RGBGVXNCTLZDBH-JTQLQIEISA-N -1 0 324.337 -0.830 20 0 DBADRM Cc1nn(CC(=O)N(C)c2ncc(C(=O)[O-])s2)c(=O)n1C ZINC001608005823 1019065261 /nfs/dbraw/zinc/06/52/61/1019065261.db2.gz SIOCJWQVMAMZFW-UHFFFAOYSA-N -1 0 311.323 -0.292 20 0 DBADRM Cc1noc(C)c1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001608024076 1019066009 /nfs/dbraw/zinc/06/60/09/1019066009.db2.gz HCUCGEVPLZAMFZ-NXEZZACHSA-N -1 0 307.306 -0.047 20 0 DBADRM Cc1nnccc1NC(=O)C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001608018719 1019066469 /nfs/dbraw/zinc/06/64/69/1019066469.db2.gz YQQOJVZXIIVBPU-ZDUSSCGKSA-N -1 0 308.294 -0.526 20 0 DBADRM Cc1nnc(CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])o1 ZINC001608014743 1019066548 /nfs/dbraw/zinc/06/65/48/1019066548.db2.gz ULUHHUAKEIZJOW-VIFPVBQESA-N -1 0 312.326 -0.348 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])CC2 ZINC001608017643 1019066732 /nfs/dbraw/zinc/06/67/32/1019066732.db2.gz HDGXEXLNPBMCMY-ONGXEEELSA-N -1 0 318.337 -0.316 20 0 DBADRM Cc1nnc(N2CCN(C(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)n1C ZINC001608015749 1019066811 /nfs/dbraw/zinc/06/68/11/1019066811.db2.gz PSGMURQVEBHMOR-PHIMTYICSA-N -1 0 307.354 -0.117 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)Nc1n[nH]c(CC(=O)[O-])n1)CC2 ZINC001608017858 1019066902 /nfs/dbraw/zinc/06/69/02/1019066902.db2.gz MDKVZKMLOPWDSL-ZETCQYMHSA-N -1 0 305.298 -0.467 20 0 DBADRM Cc1nnccc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001608017617 1019067671 /nfs/dbraw/zinc/06/76/71/1019067671.db2.gz FVIZIJYTKXOURE-VXGBXAGGSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1noc([C@H](C)NC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001608021553 1019068135 /nfs/dbraw/zinc/06/81/35/1019068135.db2.gz UDNGGCGNMODHLN-CNUIFLNQSA-N -1 0 310.310 -0.123 20 0 DBADRM Cc1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C(=O)[O-])o1 ZINC001608016738 1019068342 /nfs/dbraw/zinc/06/83/42/1019068342.db2.gz VGAUEBVIANEPGI-OMHSBUABSA-N -1 0 306.322 -0.355 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](NC(N)=O)C1 ZINC001608038646 1019068675 /nfs/dbraw/zinc/06/86/75/1019068675.db2.gz SMJWUSMITFZIPK-ZETCQYMHSA-N -1 0 317.323 -0.282 20 0 DBADRM Cc1oc(CNC(=O)C(=O)NCc2cn(C)nn2)cc1C(=O)[O-] ZINC001608047486 1019068815 /nfs/dbraw/zinc/06/88/15/1019068815.db2.gz UPGIUNOEVUNYTC-UHFFFAOYSA-N -1 0 321.293 -0.653 20 0 DBADRM Cc1nonc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001608031511 1019068849 /nfs/dbraw/zinc/06/88/49/1019068849.db2.gz VSRCMSHITGUOPL-UTINFBMNSA-N -1 0 322.321 -0.595 20 0 DBADRM Cc1noc(CN(C)C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1 ZINC001608027701 1019068865 /nfs/dbraw/zinc/06/88/65/1019068865.db2.gz DOTDEIBYFYJGIL-SECBINFHSA-N -1 0 310.310 -0.340 20 0 DBADRM Cc1nonc1C(=O)NCCCNc1ccnc(C(=O)[O-])n1 ZINC001608030387 1019069189 /nfs/dbraw/zinc/06/91/89/1019069189.db2.gz AAWRLZOULXVFDM-UHFFFAOYSA-N -1 0 306.282 -0.480 20 0 DBADRM Cc1oc(S(=O)(=O)N(C)[C@H]2CCNC2=O)cc1C(=O)[O-] ZINC001608053844 1019070068 /nfs/dbraw/zinc/07/00/68/1019070068.db2.gz LWKNNBHAZKHWIP-QMMMGPOBSA-N -1 0 302.308 -0.205 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N[C@H](C(=O)[O-])C1CC1 ZINC001608041756 1019070211 /nfs/dbraw/zinc/07/02/11/1019070211.db2.gz QWVICXOJRRBHQQ-VIFPVBQESA-N -1 0 302.308 -0.172 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](CO)[C@H](CO)C1 ZINC001608038406 1019070432 /nfs/dbraw/zinc/07/04/32/1019070432.db2.gz NVGTUEKHLPBAAK-DTORHVGOSA-N -1 0 319.335 -0.492 20 0 DBADRM Cc1noc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001608028009 1019070645 /nfs/dbraw/zinc/07/06/45/1019070645.db2.gz NNSXRNRRXYOHBE-OFKSJOQMSA-N -1 0 306.322 -0.355 20 0 DBADRM Cc1nonc1C(=O)NCC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001608031494 1019071060 /nfs/dbraw/zinc/07/10/60/1019071060.db2.gz VECAOVXJYZHGOX-ZETCQYMHSA-N -1 0 320.309 -0.091 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001608058991 1019071771 /nfs/dbraw/zinc/07/17/71/1019071771.db2.gz SVWKURSAHYJNDD-UHFFFAOYSA-N -1 0 318.355 -0.654 20 0 DBADRM Cn1c(=O)ccn(CC(=O)O[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)c1=O ZINC001608077745 1019071942 /nfs/dbraw/zinc/07/19/42/1019071942.db2.gz HFVSUFSKYGPOBC-YTWAJWBKSA-N -1 0 322.317 -0.411 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)C(=O)NCCCCC(=O)[O-])ccnc1-2 ZINC001608073403 1019072183 /nfs/dbraw/zinc/07/21/83/1019072183.db2.gz FGZJOQMPOVIJAV-UHFFFAOYSA-N -1 0 319.321 -0.349 20 0 DBADRM Cc1occc1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001608056208 1019073100 /nfs/dbraw/zinc/07/31/00/1019073100.db2.gz WZKKDGCIVQBGHE-VXGBXAGGSA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001608054859 1019073297 /nfs/dbraw/zinc/07/32/97/1019073297.db2.gz ZLYCVZNCELDPJJ-LLVKDONJSA-N -1 0 320.298 -0.126 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c1=O ZINC001608077761 1019073916 /nfs/dbraw/zinc/07/39/16/1019073916.db2.gz HYHIRXHBIDZBHR-AWEZNQCLSA-N -1 0 309.322 -0.693 20 0 DBADRM Cn1c([C@@H]2CCS(=O)(=O)N2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001608087513 1019074878 /nfs/dbraw/zinc/07/48/78/1019074878.db2.gz NQVNANHCJABXCI-YUMQZZPRSA-N -1 0 315.355 -0.910 20 0 DBADRM Cn1c2ccccc2n(CCC(=O)NC[C@H](O)CC(=O)[O-])c1=O ZINC001608078153 1019075787 /nfs/dbraw/zinc/07/57/87/1019075787.db2.gz VYIMEUOMDQJEIA-SNVBAGLBSA-N -1 0 321.333 -0.318 20 0 DBADRM Cn1c([C@H]2SCCNC2=O)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001608086691 1019076755 /nfs/dbraw/zinc/07/67/55/1019076755.db2.gz DDDPQVRSVKGLTQ-JGVFFNPUSA-N -1 0 311.367 -0.370 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2CC[C@H](S(N)(=O)=O)C2)n1 ZINC001608099403 1019077058 /nfs/dbraw/zinc/07/70/58/1019077058.db2.gz SZSZCMJVKCODKE-LURJTMIESA-N -1 0 317.327 -0.987 20 0 DBADRM Cn1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)n(C)c1=O ZINC001608096821 1019077170 /nfs/dbraw/zinc/07/71/70/1019077170.db2.gz KKSNDNLMEUVQLH-SNVBAGLBSA-N -1 0 311.338 -0.180 20 0 DBADRM Cn1cc(C(=O)CNS(=O)(=O)c2cc(C(=O)[O-])co2)cn1 ZINC001608096894 1019077301 /nfs/dbraw/zinc/07/73/01/1019077301.db2.gz LIWBUIWVPOKFCR-UHFFFAOYSA-N -1 0 313.291 -0.128 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])C2)cn1 ZINC001608107022 1019079012 /nfs/dbraw/zinc/07/90/12/1019079012.db2.gz JMAMJUZDFHCIOR-GGZOMVNGSA-N -1 0 322.321 -0.481 20 0 DBADRM Cn1cc(CCC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)nn1 ZINC001608108833 1019079544 /nfs/dbraw/zinc/07/95/44/1019079544.db2.gz ZYSDROZOWUQWSB-UHFFFAOYSA-N -1 0 305.298 -0.879 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)NC1CC(CO)(CO)C1 ZINC001608102088 1019079752 /nfs/dbraw/zinc/07/97/52/1019079752.db2.gz IMDUEGCOEBGGCA-UHFFFAOYSA-N -1 0 318.351 -0.865 20 0 DBADRM Cn1cc(CCC(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)cn1 ZINC001608108472 1019079770 /nfs/dbraw/zinc/07/97/70/1019079770.db2.gz OAYDHJSGPCEMSH-NSHDSACASA-N -1 0 309.322 -0.029 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001608103015 1019080894 /nfs/dbraw/zinc/08/08/94/1019080894.db2.gz HWEDJSVOCLBMFD-LBPRGKRZSA-N -1 0 324.297 -0.964 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N[C@H](C(=O)[O-])C3CC3)CC2=O)cn1 ZINC001608117676 1019081268 /nfs/dbraw/zinc/08/12/68/1019081268.db2.gz QBEJDEQKZQNSRA-SKDRFNHKSA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)NC[C@H](F)C(=O)[O-])C2=O)cn1 ZINC001608116860 1019081590 /nfs/dbraw/zinc/08/15/90/1019081590.db2.gz CPJSOXPCZYXALL-IUCAKERBSA-N -1 0 313.289 -0.753 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)NC[C@H](F)C(=O)[O-])CCC2=O)cn1 ZINC001608116757 1019081845 /nfs/dbraw/zinc/08/18/45/1019081845.db2.gz AVEMEVLTFPTQGF-WPRPVWTQSA-N -1 0 312.301 -0.298 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCCc2cn[nH]c2)cc1C(=O)[O-] ZINC001608116369 1019081948 /nfs/dbraw/zinc/08/19/48/1019081948.db2.gz PUKFXVYBRSGRHW-UHFFFAOYSA-N -1 0 305.294 -0.256 20 0 DBADRM Cn1cc(N2CCN(C(=O)C34CC(C(=O)[O-])(C3)C4)CC2=O)cn1 ZINC001608117022 1019082389 /nfs/dbraw/zinc/08/23/89/1019082389.db2.gz QUZNUVGONPGYHH-UHFFFAOYSA-N -1 0 318.333 -0.150 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N[C@@H](CF)C(=O)[O-])CCC2=O)cn1 ZINC001608117640 1019082505 /nfs/dbraw/zinc/08/25/05/1019082505.db2.gz PHCXYMDZKMYIPF-SCZZXKLOSA-N -1 0 312.301 -0.298 20 0 DBADRM Cn1cc(CNS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])nn1 ZINC001608114361 1019082690 /nfs/dbraw/zinc/08/26/90/1019082690.db2.gz NMXBPZOXMXXVBX-ZJUUUORDSA-N -1 0 302.356 -0.122 20 0 DBADRM Cn1cc(CN2CCN(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])CC2)cn1 ZINC001608111451 1019082948 /nfs/dbraw/zinc/08/29/48/1019082948.db2.gz DHDOJVNCRFGYKN-CHWSQXEVSA-N -1 0 321.381 -0.032 20 0 DBADRM Cn1cc(C[C@H]2CCC[C@H]2NC(=O)N2CC(O)(C(=O)[O-])C2)cn1 ZINC001608110613 1019083647 /nfs/dbraw/zinc/08/36/47/1019083647.db2.gz JLLHQDUDBFUPEA-VXGBXAGGSA-N -1 0 322.365 -0.028 20 0 DBADRM Cn1ccc(=O)c(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001608123310 1019084086 /nfs/dbraw/zinc/08/40/86/1019084086.db2.gz GPXUAGVQITWLTO-UWVGGRQHSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1ccc(C(=O)NCC2(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CCC2)n1 ZINC001608123819 1019085004 /nfs/dbraw/zinc/08/50/04/1019085004.db2.gz UNBJHUMBCFUHOL-UWVGGRQHSA-N -1 0 320.349 -0.091 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)c(=O)[nH]c1=O ZINC001608121455 1019085244 /nfs/dbraw/zinc/08/52/44/1019085244.db2.gz BKGHDENFRCTZRI-SSDOTTSWSA-N -1 0 319.339 -0.737 20 0 DBADRM Cn1ccc(CN2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cc1=O ZINC001608125024 1019085311 /nfs/dbraw/zinc/08/53/11/1019085311.db2.gz VOSPCQVBMVWRDJ-STQMWFEESA-N -1 0 319.361 -0.250 20 0 DBADRM Cn1ccc(CN2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cc1=O ZINC001608125023 1019085526 /nfs/dbraw/zinc/08/55/26/1019085526.db2.gz VOSPCQVBMVWRDJ-QWHCGFSZSA-N -1 0 319.361 -0.250 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c1=O ZINC001608130341 1019087119 /nfs/dbraw/zinc/08/71/19/1019087119.db2.gz PHHKNSKLJDQYQM-SECBINFHSA-N -1 0 305.290 -0.387 20 0 DBADRM Cn1cnc(C(=O)NCCCNc2ncc(C(=O)[O-])cn2)n1 ZINC001608133654 1019087170 /nfs/dbraw/zinc/08/71/70/1019087170.db2.gz FOEZKDJTILIFDY-UHFFFAOYSA-N -1 0 305.298 -0.465 20 0 DBADRM Cn1ccnc1[C@H]1CNCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001608134397 1019087186 /nfs/dbraw/zinc/08/71/86/1019087186.db2.gz SBXYIPRQFIKANI-MXWKQRLJSA-N -1 0 308.338 -0.475 20 0 DBADRM Cn1cnc(C(=O)N2CC[C@@H](Nc3ccnc(C(=O)[O-])n3)C2)n1 ZINC001608134048 1019087296 /nfs/dbraw/zinc/08/72/96/1019087296.db2.gz MYKZESIKJNYGKK-MRVPVSSYSA-N -1 0 317.309 -0.948 20 0 DBADRM Cn1cnc(C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)c1 ZINC001608134260 1019087697 /nfs/dbraw/zinc/08/76/97/1019087697.db2.gz PDLXMTYHTAKXPC-BDAKNGLRSA-N -1 0 306.322 -0.481 20 0 DBADRM Cn1ccnc1CNC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001608132316 1019088263 /nfs/dbraw/zinc/08/82/63/1019088263.db2.gz CWKCMTAXLKCUOR-JTQLQIEISA-N -1 0 320.349 -0.250 20 0 DBADRM Cn1cnc2c1nccc2C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001608135106 1019088543 /nfs/dbraw/zinc/08/85/43/1019088543.db2.gz ACEYCTMHPCTFCA-VIFPVBQESA-N -1 0 317.305 -0.616 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1=O ZINC001608133741 1019088875 /nfs/dbraw/zinc/08/88/75/1019088875.db2.gz HREFKTJPUDOQAC-QMMMGPOBSA-N -1 0 317.305 -0.060 20 0 DBADRM Cn1cnc(S(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)c1Cl ZINC001608135612 1019090266 /nfs/dbraw/zinc/09/02/66/1019090266.db2.gz ZAXCIZDZLBHWGN-SNVBAGLBSA-N -1 0 323.758 -0.157 20 0 DBADRM Cn1cnn(CCC(=O)N[C@H](CC(=O)[O-])c2ccncc2)c1=O ZINC001608137580 1019090909 /nfs/dbraw/zinc/09/09/09/1019090909.db2.gz PSTDOVJAPDJZBR-LLVKDONJSA-N -1 0 319.321 -0.301 20 0 DBADRM Cn1cnn(CCC(=O)N(CCC(F)(F)F)CC(=O)[O-])c1=O ZINC001608137898 1019091002 /nfs/dbraw/zinc/09/10/02/1019091002.db2.gz ZVSJNHJXWTXFEB-UHFFFAOYSA-N -1 0 324.259 -0.163 20 0 DBADRM Cn1cnn(CC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)c1=O ZINC001608137556 1019091022 /nfs/dbraw/zinc/09/10/22/1019091022.db2.gz OLOUBOJNGAXHJZ-NSHDSACASA-N -1 0 322.296 -0.295 20 0 DBADRM Cn1cnn(CCC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)c1=O ZINC001608137391 1019091686 /nfs/dbraw/zinc/09/16/86/1019091686.db2.gz KCPMPEKNUQKKFB-YTWAJWBKSA-N -1 0 308.338 -0.413 20 0 DBADRM Cn1cnn(CCC(=O)N[C@H](C(=O)[O-])c2ccccn2)c1=O ZINC001608137489 1019091948 /nfs/dbraw/zinc/09/19/48/1019091948.db2.gz MUEFXMGPWRUACU-NSHDSACASA-N -1 0 305.294 -0.691 20 0 DBADRM Cn1cnnc1COCC(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001608139315 1019092282 /nfs/dbraw/zinc/09/22/82/1019092282.db2.gz RFBNECMSROTORK-MRVPVSSYSA-N -1 0 300.340 -0.640 20 0 DBADRM Cn1nc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])cc1C1CC1 ZINC001608142533 1019092473 /nfs/dbraw/zinc/09/24/73/1019092473.db2.gz RWLAFASBAOMODB-JTQLQIEISA-N -1 0 304.310 -0.228 20 0 DBADRM Cn1cnnc1S(=O)(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001608139598 1019092693 /nfs/dbraw/zinc/09/26/93/1019092693.db2.gz LDMSOXCYJUNEOZ-KCJUWKMLSA-N -1 0 300.340 -0.167 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)NC[C@@H](CO)[C@@H]1CCOC1 ZINC001608143613 1019092783 /nfs/dbraw/zinc/09/27/83/1019092783.db2.gz HXTGEJOHFXGSBB-BDAKNGLRSA-N -1 0 312.326 -0.115 20 0 DBADRM Cn1cnnc1COCC(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC001608139922 1019093165 /nfs/dbraw/zinc/09/31/65/1019093165.db2.gz YSSCQSZHYYGOKJ-CYBMUJFWSA-N -1 0 320.305 -0.021 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1N ZINC001608156065 1019093703 /nfs/dbraw/zinc/09/37/03/1019093703.db2.gz XCHRVKXXSLGPOT-JBDRJPRFSA-N -1 0 321.337 -0.900 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC001608154679 1019094558 /nfs/dbraw/zinc/09/45/58/1019094558.db2.gz FUIMLVHAWIMDAV-ZETCQYMHSA-N -1 0 316.339 -0.231 20 0 DBADRM Cn1ncc(CCCNC(=O)N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC001608157667 1019094697 /nfs/dbraw/zinc/09/46/97/1019094697.db2.gz MCMKCHIADJTZQT-LLVKDONJSA-N -1 0 311.342 -0.367 20 0 DBADRM Cn1ncc(CN2CCC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001608157331 1019095228 /nfs/dbraw/zinc/09/52/28/1019095228.db2.gz AIJKHLVZVAAJOQ-STQMWFEESA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1-n1cnnc1 ZINC001608156003 1019095927 /nfs/dbraw/zinc/09/59/27/1019095927.db2.gz VKCJAMDJRNHJRL-BDAKNGLRSA-N -1 0 304.310 -0.016 20 0 DBADRM Cn1nccc1C(=O)N1CCC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608162473 1019096218 /nfs/dbraw/zinc/09/62/18/1019096218.db2.gz LKUOMBSRNPTZCK-QWRGUYRKSA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1nccc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001608161985 1019096542 /nfs/dbraw/zinc/09/65/42/1019096542.db2.gz AYWBWKHKIJVNPT-NXEZZACHSA-N -1 0 306.322 -0.671 20 0 DBADRM Cn1nnc(CN2CCC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001608165054 1019096681 /nfs/dbraw/zinc/09/66/81/1019096681.db2.gz AOWSQJJRYBACHJ-UWVGGRQHSA-N -1 0 308.342 -0.989 20 0 DBADRM Cn1nccc1[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001608163265 1019097038 /nfs/dbraw/zinc/09/70/38/1019097038.db2.gz ZUKXVNNLPCHYAQ-SSDOTTSWSA-N -1 0 315.307 -0.277 20 0 DBADRM Cn1nccc1[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)C(=O)[O-] ZINC001608162857 1019097058 /nfs/dbraw/zinc/09/70/58/1019097058.db2.gz LBSHXOQYVWPABZ-IUODEOHRSA-N -1 0 318.333 -0.492 20 0 DBADRM Cn1ncc2c1nc(CN1C[C@H](O)C[C@H](C(=O)[O-])C1)[nH]c2=O ZINC001608158641 1019097118 /nfs/dbraw/zinc/09/71/18/1019097118.db2.gz AESYXTBDIJLARE-JGVFFNPUSA-N -1 0 307.310 -0.664 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)N[C@H](CF)C(=O)[O-])[nH]c2=O ZINC001608158722 1019097327 /nfs/dbraw/zinc/09/73/27/1019097327.db2.gz DUBUHSCNFBIJIL-SSDOTTSWSA-N -1 0 311.273 -0.460 20 0 DBADRM Cn1ncc2c1ncn(CCc1cn(CC(=O)[O-])nn1)c2=O ZINC001608160303 1019098098 /nfs/dbraw/zinc/09/80/98/1019098098.db2.gz IANOUORMSCRULB-UHFFFAOYSA-N -1 0 303.282 -0.951 20 0 DBADRM Cn1ncnc1C1(O)CCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001608166647 1019100905 /nfs/dbraw/zinc/10/09/05/1019100905.db2.gz WITSOBWHLJNONP-AOOOYVTPSA-N -1 0 308.338 -0.264 20 0 DBADRM Cn1nnc(CN[C@H]2CC[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001608167051 1019101672 /nfs/dbraw/zinc/10/16/72/1019101672.db2.gz FQWBGVATJMKRNX-NAKRPEOUSA-N -1 0 322.369 -0.552 20 0 DBADRM Cn1nnc(NC(=O)N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)n1 ZINC001608166836 1019102047 /nfs/dbraw/zinc/10/20/47/1019102047.db2.gz AVXILJYVGZWNCD-CYBMUJFWSA-N -1 0 324.341 -0.176 20 0 DBADRM Cn1nccc1CC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001608166032 1019102192 /nfs/dbraw/zinc/10/21/92/1019102192.db2.gz VYKVYWQZOWQPPR-WDEREUQCSA-N -1 0 306.322 -0.990 20 0 DBADRM Cn1nnnc1CN1CC=C(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608170219 1019103639 /nfs/dbraw/zinc/10/36/39/1019103639.db2.gz VTIXRYJUZDYLIC-WDEREUQCSA-N -1 0 320.353 -0.821 20 0 DBADRM Cn1nnnc1CCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001608170102 1019104763 /nfs/dbraw/zinc/10/47/63/1019104763.db2.gz RPIXDFRYFMDGSS-UHFFFAOYSA-N -1 0 318.293 -0.794 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC001608169345 1019105424 /nfs/dbraw/zinc/10/54/24/1019105424.db2.gz RBKRGNQAMDLETL-QMMMGPOBSA-N -1 0 302.337 -0.019 20 0 DBADRM Cn1nncc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001608168668 1019105942 /nfs/dbraw/zinc/10/59/42/1019105942.db2.gz XHAXYXBBANCXOM-KKJSVHSVSA-N -1 0 305.338 -0.918 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)/C=C/c2cc(C(=O)[O-])co2)C1 ZINC001608168757 1019106076 /nfs/dbraw/zinc/10/60/76/1019106076.db2.gz ZUNUZSVFNIRHJL-NSCUHMNNSA-N -1 0 318.289 -0.151 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC1 ZINC001608228953 1019115716 /nfs/dbraw/zinc/11/57/16/1019115716.db2.gz BJAPAPJLRCZYCV-UPHRSURJSA-N -1 0 308.290 -0.170 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001608229165 1019115725 /nfs/dbraw/zinc/11/57/25/1019115725.db2.gz FUXNOVIYDVARRL-SNVBAGLBSA-N -1 0 305.290 -0.326 20 0 DBADRM NC(=O)CC(=O)N1CCC[C@@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001608229068 1019115799 /nfs/dbraw/zinc/11/57/99/1019115799.db2.gz BXISOAQKTDCXKJ-VIFPVBQESA-N -1 0 321.337 -0.877 20 0 DBADRM NC(=O)C1(NC(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)CC1 ZINC001608228555 1019115857 /nfs/dbraw/zinc/11/58/57/1019115857.db2.gz SNRVZOCQABLSMO-UHFFFAOYSA-N -1 0 320.305 -0.360 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001608227688 1019116575 /nfs/dbraw/zinc/11/65/75/1019116575.db2.gz ZBOMQNTVUBHSPD-LBPRGKRZSA-N -1 0 316.317 -0.206 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001608229376 1019117761 /nfs/dbraw/zinc/11/77/61/1019117761.db2.gz JORXSJQEHZNADI-DLRBJTRDSA-N -1 0 307.262 -0.263 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC001608229773 1019117930 /nfs/dbraw/zinc/11/79/30/1019117930.db2.gz OGPXTZKOUQEHDO-SNVBAGLBSA-N -1 0 321.289 -0.490 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)NCc2ccccc2CC(=O)[O-])CCO1 ZINC001608230370 1019118249 /nfs/dbraw/zinc/11/82/49/1019118249.db2.gz WHWVDDXTFPTHFS-LBPRGKRZSA-N -1 0 321.333 -0.291 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001608229378 1019119036 /nfs/dbraw/zinc/11/90/36/1019119036.db2.gz JORXSJQEHZNADI-LTMVXPGCSA-N -1 0 307.262 -0.263 20 0 DBADRM NC(=O)CC(=O)NC[C@H]1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001608230771 1019119179 /nfs/dbraw/zinc/11/91/79/1019119179.db2.gz ZNHPWIAWKZFRPQ-WCBMZHEXSA-N -1 0 321.337 -0.253 20 0 DBADRM NC(=O)CC(=O)N[C@H]1CCC[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001608230812 1019119212 /nfs/dbraw/zinc/11/92/12/1019119212.db2.gz ZVYYHRYGJXFGDS-WPRPVWTQSA-N -1 0 321.337 -0.253 20 0 DBADRM NC(=O)[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)CCO1 ZINC001608229691 1019119323 /nfs/dbraw/zinc/11/93/23/1019119323.db2.gz OQBPMPLVJJTUBW-VIFPVBQESA-N -1 0 320.367 -0.853 20 0 DBADRM NC(=O)[C@H]1CN(c2ncc(C(=O)[O-])cc2Cl)C[C@H]1C(N)=O ZINC001608230679 1019119827 /nfs/dbraw/zinc/11/98/27/1019119827.db2.gz YRMKMEPUASRTLE-KNVOCYPGSA-N -1 0 312.713 -0.544 20 0 DBADRM NC(=O)CC(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CCCC1 ZINC001608229665 1019119972 /nfs/dbraw/zinc/11/99/72/1019119972.db2.gz ODWWBRJYIKLFKP-UHFFFAOYSA-N -1 0 321.337 -0.687 20 0 DBADRM NC(=O)CC1(CN2C(=O)[C@H]3CC[C@H](C(=O)[O-])CN3C2=O)CC1 ZINC001608231062 1019120056 /nfs/dbraw/zinc/12/00/56/1019120056.db2.gz QFBYDVQQZAXXSB-DTWKUNHWSA-N -1 0 309.322 -0.231 20 0 DBADRM NC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)[O-])CCO1 ZINC001608229252 1019120382 /nfs/dbraw/zinc/12/03/82/1019120382.db2.gz FZWXXLABCRHSOH-NSHDSACASA-N -1 0 307.306 -0.491 20 0 DBADRM NC(=O)[C@@H]1CC[C@H]1C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001608231764 1019121319 /nfs/dbraw/zinc/12/13/19/1019121319.db2.gz HSLAPLMWJYJKQZ-GHMZBOCLSA-N -1 0 319.317 -0.049 20 0 DBADRM NC(=O)CCCNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001608234604 1019122253 /nfs/dbraw/zinc/12/22/53/1019122253.db2.gz YPSOLLWLNRQFKY-UHFFFAOYSA-N -1 0 311.269 -0.156 20 0 DBADRM NC(=O)CC[C@H]1CCCN(Cn2nc(C(=O)[O-])ccc2=O)C1 ZINC001608231140 1019122556 /nfs/dbraw/zinc/12/25/56/1019122556.db2.gz ARLZUUCVFJFCPT-SNVBAGLBSA-N -1 0 308.338 -0.124 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nn2)CCO1 ZINC001608232639 1019123433 /nfs/dbraw/zinc/12/34/33/1019123433.db2.gz VZRPXANBZOHVNX-SSDOTTSWSA-N -1 0 309.282 -0.717 20 0 DBADRM NC(=O)CC1(CN2C(=O)[C@H]3CC[C@@H](C(=O)[O-])CN3C2=O)CC1 ZINC001608231064 1019123548 /nfs/dbraw/zinc/12/35/48/1019123548.db2.gz QFBYDVQQZAXXSB-RKDXNWHRSA-N -1 0 309.322 -0.231 20 0 DBADRM NC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1=O ZINC001608234374 1019123606 /nfs/dbraw/zinc/12/36/06/1019123606.db2.gz CEPHUYIJMDKBQN-NXEZZACHSA-N -1 0 311.338 -0.967 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC001608232399 1019123730 /nfs/dbraw/zinc/12/37/30/1019123730.db2.gz VTAAVYALPSQDNW-MRVPVSSYSA-N -1 0 323.280 -0.204 20 0 DBADRM NC(=O)[C@H]1CCC[C@H](C(=O)OCC(=O)NCCC(=O)[O-])C1 ZINC001608233131 1019123868 /nfs/dbraw/zinc/12/38/68/1019123868.db2.gz VSYFZXMNHYEGKY-IUCAKERBSA-N -1 0 300.311 -0.588 20 0 DBADRM NS(=O)(=O)CCN1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001608260080 1019140707 /nfs/dbraw/zinc/14/07/07/1019140707.db2.gz AVUXRHQOSSWMNI-UHFFFAOYSA-N -1 0 319.408 -0.143 20 0 DBADRM NC(=O)Cn1ccc(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)n1 ZINC001608237201 1019126595 /nfs/dbraw/zinc/12/65/95/1019126595.db2.gz TWUQYLWUYCBHJJ-DTWKUNHWSA-N -1 0 310.310 -0.281 20 0 DBADRM NC(=O)NCCCCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001608237950 1019126644 /nfs/dbraw/zinc/12/66/44/1019126644.db2.gz IDTFAORZRKXBJW-IINYFYTJSA-N -1 0 313.354 -0.225 20 0 DBADRM NC(=O)CSCC(=O)N[C@@H](Cc1ccccc1O)C(=O)[O-] ZINC001608235632 1019127446 /nfs/dbraw/zinc/12/74/46/1019127446.db2.gz ATCJRMYLKMGWNE-VIFPVBQESA-N -1 0 312.347 -0.277 20 0 DBADRM NC(=O)N[C@H](CC(=O)NC[C@H](O)CC(=O)[O-])c1ccccc1 ZINC001608237885 1019127517 /nfs/dbraw/zinc/12/75/17/1019127517.db2.gz IHAYTPVNMIMKGC-GHMZBOCLSA-N -1 0 309.322 -0.262 20 0 DBADRM NC(=O)[C@]12CCC[C@H]1CN(S(=O)(=O)C1(C(=O)[O-])CCC1)C2 ZINC001608241188 1019129260 /nfs/dbraw/zinc/12/92/60/1019129260.db2.gz QMLFUUTUSOGLSA-CABZTGNLSA-N -1 0 316.379 -0.089 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](N2C(=O)[C@H]3CC[C@@H](C(=O)[O-])CN3C2=O)C1 ZINC001608240154 1019129738 /nfs/dbraw/zinc/12/97/38/1019129738.db2.gz OMXUSPPHEBTFNZ-SGIHWFKDSA-N -1 0 309.322 -0.232 20 0 DBADRM NC(=O)[C@H]1C[C@H]1C(=O)N1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1 ZINC001608240458 1019130113 /nfs/dbraw/zinc/13/01/13/1019130113.db2.gz HDPOHFABVSSQPM-HHHUOAJASA-N -1 0 310.350 -0.021 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1 ZINC001608240073 1019130406 /nfs/dbraw/zinc/13/04/06/1019130406.db2.gz NOYXQYCLPLFCIP-IVZWLZJFSA-N -1 0 311.338 -0.920 20 0 DBADRM NC(=O)c1ccc(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)o1 ZINC001608244124 1019133178 /nfs/dbraw/zinc/13/31/78/1019133178.db2.gz FYJAZVXIRTWLGS-UHFFFAOYSA-N -1 0 323.305 -0.682 20 0 DBADRM NC(=O)c1cccc(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001608245716 1019134771 /nfs/dbraw/zinc/13/47/71/1019134771.db2.gz HDPIRASATZGQAM-JGVFFNPUSA-N -1 0 308.294 -0.520 20 0 DBADRM NC(=O)c1ccc(CN2CCC[C@H]2C(=O)NCC(=O)[O-])cc1 ZINC001608244280 1019134992 /nfs/dbraw/zinc/13/49/92/1019134992.db2.gz QQQFPBLFNFNPIF-LBPRGKRZSA-N -1 0 305.334 -0.049 20 0 DBADRM NC(=O)c1ncn(CC(=O)N[C@H](C(=O)[O-])C2CCCCC2)n1 ZINC001608248286 1019138598 /nfs/dbraw/zinc/13/85/98/1019138598.db2.gz ONVOAHCIUGIAHJ-JTQLQIEISA-N -1 0 309.326 -0.473 20 0 DBADRM NC(=O)c1ncn(CC(=O)N2CCc3c2cccc3C(=O)[O-])n1 ZINC001608247356 1019138685 /nfs/dbraw/zinc/13/86/85/1019138685.db2.gz DPKHXVMFADMRJX-UHFFFAOYSA-N -1 0 315.289 -0.336 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001608259081 1019139663 /nfs/dbraw/zinc/13/96/63/1019139663.db2.gz GBKLCQPMECTRFL-KXUCPTDWSA-N -1 0 304.368 -0.233 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001608259738 1019139802 /nfs/dbraw/zinc/13/98/02/1019139802.db2.gz QZOCAFPTGAVTGJ-RKWZHAFESA-N -1 0 302.352 -0.622 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001608259487 1019140251 /nfs/dbraw/zinc/14/02/51/1019140251.db2.gz MKQYBZRLVCPXIS-ZCFIWIBFSA-N -1 0 324.336 -0.971 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001608260838 1019141988 /nfs/dbraw/zinc/14/19/88/1019141988.db2.gz ZMRNUYMVBZWJSV-GFCCVEGCSA-N -1 0 322.383 -0.415 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)o1 ZINC001608261920 1019142709 /nfs/dbraw/zinc/14/27/09/1019142709.db2.gz XYJNTYDRCUMEKE-NSHDSACASA-N -1 0 318.307 -0.852 20 0 DBADRM NS(=O)(=O)c1ccc(CNc2ccnc(C(=O)[O-])n2)s1 ZINC001608263652 1019142979 /nfs/dbraw/zinc/14/29/79/1019142979.db2.gz YNXRYMMAIORSTC-UHFFFAOYSA-N -1 0 314.348 -0.082 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)co1 ZINC001608261972 1019144056 /nfs/dbraw/zinc/14/40/56/1019144056.db2.gz GCOPPYNUONGDMI-XAVMHZPKSA-N -1 0 314.319 -0.234 20 0 DBADRM NS(=O)(=O)c1ccc(NCC2(CO)COC2)c(C(=O)[O-])c1 ZINC001608262659 1019144546 /nfs/dbraw/zinc/14/45/46/1019144546.db2.gz KNXKYKHHDDMDOP-UHFFFAOYSA-N -1 0 316.335 -0.547 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2CC(=O)[O-])C1 ZINC001608261491 1019145593 /nfs/dbraw/zinc/14/55/93/1019145593.db2.gz UNTRDQFBKPZZDA-VHSXEESVSA-N -1 0 319.383 -0.632 20 0 DBADRM Nc1ccc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c(F)c1 ZINC001608273549 1019147365 /nfs/dbraw/zinc/14/73/65/1019147365.db2.gz QYXVIJYUQUMAIZ-WCBMZHEXSA-N -1 0 304.299 -0.072 20 0 DBADRM Nc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c(F)c1 ZINC001608273611 1019147720 /nfs/dbraw/zinc/14/77/20/1019147720.db2.gz UEZNGVFAJRNOFJ-APPZFPTMSA-N -1 0 304.299 -0.384 20 0 DBADRM Nc1nccnc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608277012 1019148419 /nfs/dbraw/zinc/14/84/19/1019148419.db2.gz CWVVWGROFZNCBT-BGZDPUMWSA-N -1 0 319.321 -0.844 20 0 DBADRM Nc1ncc(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)cn1 ZINC001608276878 1019148544 /nfs/dbraw/zinc/14/85/44/1019148544.db2.gz ODLMQPKXUNJQTK-UHFFFAOYSA-N -1 0 316.339 -0.687 20 0 DBADRM Nc1c(-n2cccn2)ncnc1N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001608270536 1019149085 /nfs/dbraw/zinc/14/90/85/1019149085.db2.gz PHCMTMOUBKOXDP-DTWKUNHWSA-N -1 0 304.310 -0.484 20 0 DBADRM Nc1nc(C2CC2)ncc1C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001608275901 1019149776 /nfs/dbraw/zinc/14/97/76/1019149776.db2.gz RFYHIMSHJRJLJE-DTWKUNHWSA-N -1 0 306.322 -0.156 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)/C=C/C1CC1 ZINC001608283192 1019150690 /nfs/dbraw/zinc/15/06/90/1019150690.db2.gz OYUWFSQMMQHMMK-BLDJZWNYSA-N -1 0 310.350 -0.390 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)C[C@H]1CCC2(CCOCC2)CO1 ZINC001608294517 1019151386 /nfs/dbraw/zinc/15/13/86/1019151386.db2.gz VIMNYTNUIWVMFO-MNOVXSKESA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)C[C@@H]2CCCC(=O)N2)n1 ZINC001608293679 1019151422 /nfs/dbraw/zinc/15/14/22/1019151422.db2.gz IBZUIXCQMHRUPA-VIFPVBQESA-N -1 0 321.337 -0.816 20 0 DBADRM Nc1ncn(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])n1 ZINC001608278184 1019151785 /nfs/dbraw/zinc/15/17/85/1019151785.db2.gz VOEFOYNTHRMHSP-LLVKDONJSA-N -1 0 301.306 -0.102 20 0 DBADRM Nc1nnc(CC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)s1 ZINC001608279945 1019151854 /nfs/dbraw/zinc/15/18/54/1019151854.db2.gz MLGIGZBJLNYCDC-VIFPVBQESA-N -1 0 300.340 -0.653 20 0 DBADRM O=C([O-])c1coc(CNC(=O)C[C@@H]2C=CS(=O)(=O)C2)n1 ZINC001608291688 1019152305 /nfs/dbraw/zinc/15/23/05/1019152305.db2.gz HEZYOLJDXUESPK-ZETCQYMHSA-N -1 0 300.292 -0.063 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2)C1 ZINC001608279494 1019152987 /nfs/dbraw/zinc/15/29/87/1019152987.db2.gz VPXSLJRTHRDLED-GFCCVEGCSA-N -1 0 318.329 -0.051 20 0 DBADRM O=C(CC[C@H]1NC(=O)NC1=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001608303682 1019155093 /nfs/dbraw/zinc/15/50/93/1019155093.db2.gz IXLXTDXJVABQDH-KSBSHMNSSA-N -1 0 301.324 -0.949 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)CCN2CCCC2=O)n1 ZINC001608307897 1019155110 /nfs/dbraw/zinc/15/51/10/1019155110.db2.gz FNWLITGMZQVSDV-UHFFFAOYSA-N -1 0 321.337 -0.863 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001608296845 1019155142 /nfs/dbraw/zinc/15/51/42/1019155142.db2.gz KNHAUVWXQZMHAS-JTQLQIEISA-N -1 0 319.379 -0.361 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CC[C@H]1CC[C@H](C2OCCO2)O1 ZINC001608300009 1019155163 /nfs/dbraw/zinc/15/51/63/1019155163.db2.gz ATAOCSBFSKUDIC-KXUCPTDWSA-N -1 0 303.311 -0.751 20 0 DBADRM O=C([O-])c1c(OCCO)n[nH]c1NC(=O)C[C@@H]1COC(=O)C1 ZINC001608296560 1019155749 /nfs/dbraw/zinc/15/57/49/1019155749.db2.gz IVBWOSKHNHWDJM-LURJTMIESA-N -1 0 313.266 -0.629 20 0 DBADRM O=C(CC[C@H]1NC(=O)NC1=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001608303680 1019156046 /nfs/dbraw/zinc/15/60/46/1019156046.db2.gz IXLXTDXJVABQDH-KBUNVGBDSA-N -1 0 301.324 -0.949 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)C[C@@H]2COC(=O)C2)n1 ZINC001608297546 1019156127 /nfs/dbraw/zinc/15/61/27/1019156127.db2.gz SHBQIFZQKXLADX-VIFPVBQESA-N -1 0 322.321 -0.532 20 0 DBADRM O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H](C(=O)[O-])c1cccnc1 ZINC001608303392 1019156511 /nfs/dbraw/zinc/15/65/11/1019156511.db2.gz BYWZVICZAXGLNZ-WPRPVWTQSA-N -1 0 306.278 -0.688 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)CCn2ccnc2)CC1 ZINC001608324154 1019158077 /nfs/dbraw/zinc/15/80/77/1019158077.db2.gz RTXNPIKDOQJURN-WDEREUQCSA-N -1 0 320.349 -0.241 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)CCNS(=O)(=O)c1cccnc1 ZINC001608312194 1019158647 /nfs/dbraw/zinc/15/86/47/1019158647.db2.gz WKDGBPJLIJHXLH-VIFPVBQESA-N -1 0 319.314 -0.711 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(CC(=O)Nc2ccon2)CC1 ZINC001608330183 1019161021 /nfs/dbraw/zinc/16/10/21/1019161021.db2.gz GGOYAMMBVWLIRO-ZJUUUORDSA-N -1 0 322.321 -0.522 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)NCCOCC(F)F ZINC001608329953 1019161619 /nfs/dbraw/zinc/16/16/19/1019161619.db2.gz KECKMSQNEKMCAO-QMMMGPOBSA-N -1 0 308.281 -0.293 20 0 DBADRM O=C(CN1C(=O)c2ccccc2C1=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001608328504 1019161975 /nfs/dbraw/zinc/16/19/75/1019161975.db2.gz YKCVCUALQQTSPR-HWJBBNHMSA-N -1 0 318.285 -0.623 20 0 DBADRM O=C([O-])[C@@H](CCF)NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001608327860 1019162026 /nfs/dbraw/zinc/16/20/26/1019162026.db2.gz MMHCOBBEUZXLTG-KXUCPTDWSA-N -1 0 312.297 -0.133 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC001608326998 1019162352 /nfs/dbraw/zinc/16/23/52/1019162352.db2.gz JWNAQADMJRKPOU-BLLLJJGKSA-N -1 0 320.345 -0.372 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NCc2ccc(=O)[nH]c2)C1=O ZINC001608330350 1019162481 /nfs/dbraw/zinc/16/24/81/1019162481.db2.gz NJDSXXJZANVCHM-JTQLQIEISA-N -1 0 307.306 -0.273 20 0 DBADRM O=C(CN1C(=O)CNC1=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC001608326635 1019162590 /nfs/dbraw/zinc/16/25/90/1019162590.db2.gz XCIDKHFKCNYNGU-UHFFFAOYSA-N -1 0 321.289 -0.568 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)NCCN1CCCC1=O ZINC001608329217 1019162650 /nfs/dbraw/zinc/16/26/50/1019162650.db2.gz ALMGOQIKJWHLAC-JTQLQIEISA-N -1 0 311.338 -0.952 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@@H]2CCn3cncc32)C1=O ZINC001608329822 1019162855 /nfs/dbraw/zinc/16/28/55/1019162855.db2.gz HHGFYWBDQXHHAJ-NXEZZACHSA-N -1 0 306.322 -0.233 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC001608333507 1019163500 /nfs/dbraw/zinc/16/35/00/1019163500.db2.gz FWBNGLVKQCFNKR-AWEZNQCLSA-N -1 0 321.377 -0.634 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CCN(CCO)CC2)c1 ZINC001608333962 1019163809 /nfs/dbraw/zinc/16/38/09/1019163809.db2.gz SBNPPUITLIRNOA-UHFFFAOYSA-N -1 0 307.350 -0.067 20 0 DBADRM O=C(CN1CCSC1=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001608335784 1019164057 /nfs/dbraw/zinc/16/40/57/1019164057.db2.gz ICNNSVCIMDVJKP-ZETCQYMHSA-N -1 0 304.324 -0.512 20 0 DBADRM O=C(CN1Cc2ccccc2C1=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001608337348 1019164895 /nfs/dbraw/zinc/16/48/95/1019164895.db2.gz SYLSFWOYNQXTBF-AVCCJPFPSA-N -1 0 304.302 -0.263 20 0 DBADRM O=C([O-])C1(C(=O)COC(=O)CNC(=O)c2cccnc2)CC1 ZINC001608338330 1019166976 /nfs/dbraw/zinc/16/69/76/1019166976.db2.gz GEMKCRBSVRGYEA-UHFFFAOYSA-N -1 0 306.274 -0.212 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC001608348513 1019167180 /nfs/dbraw/zinc/16/71/80/1019167180.db2.gz SQGFVROOTMDHBR-BDAKNGLRSA-N -1 0 314.294 -0.455 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001608356137 1019169033 /nfs/dbraw/zinc/16/90/33/1019169033.db2.gz HEUWMQHXPABTAE-RQJHMYQMSA-N -1 0 321.293 -0.870 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(NC(=O)Cc2cc[nH]n2)CC1 ZINC001608369261 1019169048 /nfs/dbraw/zinc/16/90/48/1019169048.db2.gz IMCQDRLCHKPWNL-ZJUUUORDSA-N -1 0 306.322 -0.562 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CC1C(=O)N=CNC1=O)[C@H]1CCOC1 ZINC001608357186 1019169428 /nfs/dbraw/zinc/16/94/28/1019169428.db2.gz FHMCGVMMPDEDAX-CBAPKCEASA-N -1 0 311.294 -0.716 20 0 DBADRM O=C([O-])C1(NC(=O)Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001608368610 1019169608 /nfs/dbraw/zinc/16/96/08/1019169608.db2.gz WPILHTSDKLCIEW-UHFFFAOYSA-N -1 0 312.347 -0.228 20 0 DBADRM O=C(CS(=O)(=O)C1CCCC1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001608353271 1019169697 /nfs/dbraw/zinc/16/96/97/1019169697.db2.gz QQIDPPHDDPQFTR-LYWQIFSTSA-N -1 0 305.352 -0.562 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001608369283 1019170045 /nfs/dbraw/zinc/17/00/45/1019170045.db2.gz KQEZDNUTHOCNHQ-IELRGYKMSA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccon1 ZINC001608368883 1019170165 /nfs/dbraw/zinc/17/01/65/1019170165.db2.gz DRQQXOMBTSLSJH-HKLXJQGRSA-N -1 0 319.317 -0.489 20 0 DBADRM O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H](Cc1ccncc1)C(=O)[O-] ZINC001608356671 1019171024 /nfs/dbraw/zinc/17/10/24/1019171024.db2.gz SNJFBTHEVCKJEH-UWVGGRQHSA-N -1 0 320.305 -0.961 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)Cc3ncc[nH]3)C2)n1 ZINC001608371467 1019172513 /nfs/dbraw/zinc/17/25/13/1019172513.db2.gz LVKMSZMPQGWYAN-SECBINFHSA-N -1 0 316.321 -0.165 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)Cc2ncc[nH]2)CC1 ZINC001608371290 1019173077 /nfs/dbraw/zinc/17/30/77/1019173077.db2.gz FERLDPIIRHIRSG-MNOVXSKESA-N -1 0 320.349 -0.220 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N[C@@H](CO)Cc2ccncc2)c1 ZINC001608375393 1019173168 /nfs/dbraw/zinc/17/31/68/1019173168.db2.gz ULEOJOJECAHXCY-GFCCVEGCSA-N -1 0 304.306 -0.304 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC001608372990 1019173182 /nfs/dbraw/zinc/17/31/82/1019173182.db2.gz BXACRZUCJWGPMW-SECBINFHSA-N -1 0 309.253 -0.359 20 0 DBADRM O=C([O-])[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccsc1 ZINC001608377132 1019175041 /nfs/dbraw/zinc/17/50/41/1019175041.db2.gz NHAPKHWSDCGZLI-SNVBAGLBSA-N -1 0 309.303 -0.048 20 0 DBADRM O=C([O-])[C@H](NC(=O)Cn1ncnn1)c1ccc2c(c1)CCO2 ZINC001608381108 1019176387 /nfs/dbraw/zinc/17/63/87/1019176387.db2.gz COUIMLZPWLUNNN-GFCCVEGCSA-N -1 0 303.278 -0.450 20 0 DBADRM O=C(Cn1nnc2c1CCCC2)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001608381262 1019176582 /nfs/dbraw/zinc/17/65/82/1019176582.db2.gz GWYIOACQRGCTME-NOZJJQNGSA-N -1 0 308.338 -0.237 20 0 DBADRM O=C([O-])c1nccc(NC(=O)Cn2nc3ccccn3c2=O)n1 ZINC001608383128 1019176857 /nfs/dbraw/zinc/17/68/57/1019176857.db2.gz WHAXSSKMAGWKIO-UHFFFAOYSA-N -1 0 314.261 -0.955 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)Cn2ncc(=O)c3ccccc32)C1 ZINC001608383067 1019176915 /nfs/dbraw/zinc/17/69/15/1019176915.db2.gz UGCYUPRDOBEMRM-HNNXBMFYSA-N -1 0 317.301 -0.556 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)c1cnn2c1OCCC2 ZINC001608402555 1019177855 /nfs/dbraw/zinc/17/78/55/1019177855.db2.gz IRMRHJXURRJGFX-SNVBAGLBSA-N -1 0 305.294 -0.255 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)C1=C2CCCN=C2NN1 ZINC001608396326 1019178268 /nfs/dbraw/zinc/17/82/68/1019178268.db2.gz IWQLCRPPIXSBNH-VIFPVBQESA-N -1 0 324.337 -0.737 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001608403328 1019179625 /nfs/dbraw/zinc/17/96/25/1019179625.db2.gz OSPOFQVHVIEEOE-KWQFWETISA-N -1 0 304.310 -0.624 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001608404109 1019179664 /nfs/dbraw/zinc/17/96/64/1019179664.db2.gz XCGREICDDILPAB-NXEZZACHSA-N -1 0 304.310 -0.693 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1cn2ccccc2n1 ZINC001608402768 1019179988 /nfs/dbraw/zinc/17/99/88/1019179988.db2.gz UOHWDQVPBQPHFX-JTQLQIEISA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)CNC(=O)c2ccncc2)CC1 ZINC001608414344 1019181555 /nfs/dbraw/zinc/18/15/55/1019181555.db2.gz BIQGXLWLOGVOJT-UHFFFAOYSA-N -1 0 307.306 -0.751 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)c3ccnnc3)C2)n1 ZINC001608413564 1019181960 /nfs/dbraw/zinc/18/19/60/1019181960.db2.gz YRDHZAKRIBTBHG-SNVBAGLBSA-N -1 0 314.305 -0.027 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2=COCCO2)CC1 ZINC001608409592 1019182444 /nfs/dbraw/zinc/18/24/44/1019182444.db2.gz DLCYGOWNNBVPDE-GHMZBOCLSA-N -1 0 324.333 -0.298 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001608407358 1019182558 /nfs/dbraw/zinc/18/25/58/1019182558.db2.gz CREPFQSRFXVTDM-USZNOCQGSA-N -1 0 310.350 -0.415 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC001608411429 1019182852 /nfs/dbraw/zinc/18/28/52/1019182852.db2.gz YDSMZGLTCFLLAI-ZJUUUORDSA-N -1 0 306.322 -0.149 20 0 DBADRM CC(=O)N1CC(C(=O)NC[C@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001502815520 1019182811 /nfs/dbraw/zinc/18/28/11/1019182811.db2.gz CNQQOLVPWUPYGR-ZETCQYMHSA-N -1 0 323.353 -0.863 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N[C@H]1C[C@H]2CCCCN2C1=O ZINC001608407462 1019183196 /nfs/dbraw/zinc/18/31/96/1019183196.db2.gz IALUJGNXYNHUEX-DBIOUOCHSA-N -1 0 323.349 -0.765 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ccncn2)CC1 ZINC001608430565 1019184559 /nfs/dbraw/zinc/18/45/59/1019184559.db2.gz NZBUOYLQFPTEPT-RKDXNWHRSA-N -1 0 304.306 -0.424 20 0 DBADRM O=C([O-])c1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](O)CO ZINC001608423524 1019184647 /nfs/dbraw/zinc/18/46/47/1019184647.db2.gz BAEUVKLTUUWUHT-ZETCQYMHSA-N -1 0 316.697 -0.554 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CNC(=O)c2ccn[nH]2)C2CC2)n1 ZINC001608425132 1019184780 /nfs/dbraw/zinc/18/47/80/1019184780.db2.gz SKLMRMWANBQVMN-SNVBAGLBSA-N -1 0 316.321 -0.060 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CNC(=O)c2cnon2)C2CC2)n1 ZINC001608425488 1019185068 /nfs/dbraw/zinc/18/50/68/1019185068.db2.gz YRANJSWTOSEUES-QMMMGPOBSA-N -1 0 318.293 -0.400 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@@H]2COc3cc(F)ccc3C2)C1 ZINC001608415421 1019185156 /nfs/dbraw/zinc/18/51/56/1019185156.db2.gz HMBRWYFZVORRII-JTQLQIEISA-N -1 0 310.281 -0.030 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)C2CC3(CC3)C2)C1 ZINC001608429847 1019185227 /nfs/dbraw/zinc/18/52/27/1019185227.db2.gz GJMRMSQOESYNND-MNOVXSKESA-N -1 0 322.361 -0.413 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@H]2COc3cc(F)ccc3C2)C1 ZINC001608415423 1019185314 /nfs/dbraw/zinc/18/53/14/1019185314.db2.gz HMBRWYFZVORRII-SNVBAGLBSA-N -1 0 310.281 -0.030 20 0 DBADRM O=C([O-])[C@@H]1CCc2sc(NC(=O)NC[C@@H](O)CO)nc2C1 ZINC001608425123 1019185574 /nfs/dbraw/zinc/18/55/74/1019185574.db2.gz SHLJSBFGXSWEKP-RNFRBKRXSA-N -1 0 315.351 -0.193 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC001608415659 1019186020 /nfs/dbraw/zinc/18/60/20/1019186020.db2.gz NDGVZBKWDIDHEK-AWEZNQCLSA-N -1 0 310.281 -0.397 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)c2cn(C3CCOCC3)nn2)CCOC1 ZINC001608430378 1019186107 /nfs/dbraw/zinc/18/61/07/1019186107.db2.gz OYYWOXUEJZGEAF-AWEZNQCLSA-N -1 0 324.337 -0.149 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NCC2(c3ccccc3)CC2)C1 ZINC001608428989 1019186422 /nfs/dbraw/zinc/18/64/22/1019186422.db2.gz IUTJSFUATVRCRA-UHFFFAOYSA-N -1 0 318.329 -0.508 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@]23COCCN2C(=O)COC3)c[nH]1 ZINC001608431724 1019187373 /nfs/dbraw/zinc/18/73/73/1019187373.db2.gz CCHUKZPVXAFLGY-CQSZACIVSA-N -1 0 323.305 -0.930 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](O)C2)n1 ZINC001608433733 1019187878 /nfs/dbraw/zinc/18/78/78/1019187878.db2.gz BODPQXHASOVFAP-DTWKUNHWSA-N -1 0 307.306 -0.005 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NC[C@@H]2COCCO2)cc1 ZINC001608439440 1019188614 /nfs/dbraw/zinc/18/86/14/1019188614.db2.gz MYZSSUWHXICROV-LLVKDONJSA-N -1 0 308.290 -0.145 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CC1(F)F ZINC001608438845 1019189177 /nfs/dbraw/zinc/18/91/77/1019189177.db2.gz LVDHRZABXVHPHL-HRDYMLBCSA-N -1 0 320.292 -0.246 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@@H]1CCC2(CCC2)CO1 ZINC001608433787 1019189549 /nfs/dbraw/zinc/18/95/49/1019189549.db2.gz BRYCAUDRKICYAO-UWVGGRQHSA-N -1 0 316.329 -0.009 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@H]1CCCN1Cc1ccccn1 ZINC001608450021 1019190452 /nfs/dbraw/zinc/19/04/52/1019190452.db2.gz KPWRIPCBOVSERN-OLZOCXBDSA-N -1 0 307.350 -0.002 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C(=O)Nc2cccnc2)nn1 ZINC001608455747 1019190538 /nfs/dbraw/zinc/19/05/38/1019190538.db2.gz HVLDTTGNOXICAQ-UHFFFAOYSA-N -1 0 304.266 -0.874 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@@H]1CCCN1Cc1ccccn1 ZINC001608450022 1019190822 /nfs/dbraw/zinc/19/08/22/1019190822.db2.gz KPWRIPCBOVSERN-STQMWFEESA-N -1 0 307.350 -0.002 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001608450565 1019190837 /nfs/dbraw/zinc/19/08/37/1019190837.db2.gz YOAUWSVMGSKJQU-IUCAKERBSA-N -1 0 305.352 -0.847 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCn2ncnn2)cc1F ZINC001608455430 1019190853 /nfs/dbraw/zinc/19/08/53/1019190853.db2.gz SVCRMMZAMQKJGQ-UHFFFAOYSA-N -1 0 322.256 -0.735 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C(=O)Nc2cccc(F)n2)nn1 ZINC001608456132 1019190917 /nfs/dbraw/zinc/19/09/17/1019190917.db2.gz RVFVXSLIGDKVFL-UHFFFAOYSA-N -1 0 322.256 -0.735 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC001608440421 1019191196 /nfs/dbraw/zinc/19/11/96/1019191196.db2.gz DEVUUQOPVOODJA-OBPIAQAESA-N -1 0 324.377 -0.167 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCCCOC(F)F)C1 ZINC001608444140 1019191439 /nfs/dbraw/zinc/19/14/39/1019191439.db2.gz JWMZKLWZHLCBOP-HTQZYQBOSA-N -1 0 324.280 -0.974 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)NCCN2CCCS2(=O)=O)C1 ZINC001608446268 1019191588 /nfs/dbraw/zinc/19/15/88/1019191588.db2.gz LZLUSZUCEJEALB-JTQLQIEISA-N -1 0 317.367 -0.506 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC001608458126 1019192247 /nfs/dbraw/zinc/19/22/47/1019192247.db2.gz XNOUQIWBTPNYLY-TVQRCGJNSA-N -1 0 302.302 -0.711 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)NCC1(OCCO)CCOCC1 ZINC001608458025 1019192326 /nfs/dbraw/zinc/19/23/26/1019192326.db2.gz WGBMHBDUFGVPSA-VIFPVBQESA-N -1 0 308.306 -0.734 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCCC[C@H]1C1OCCO1 ZINC001608456995 1019192532 /nfs/dbraw/zinc/19/25/32/1019192532.db2.gz GKEIBAOQDGYMPW-IUCAKERBSA-N -1 0 318.301 -0.721 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC001608459713 1019192834 /nfs/dbraw/zinc/19/28/34/1019192834.db2.gz NRIFACAGLHVKND-NWDGAFQWSA-N -1 0 322.317 -0.021 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001608460192 1019192992 /nfs/dbraw/zinc/19/29/92/1019192992.db2.gz BBSMWGSFDIZSCX-NAKRPEOUSA-N -1 0 324.333 -0.394 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CC(CC(F)(F)F)C1 ZINC001608457416 1019193080 /nfs/dbraw/zinc/19/30/80/1019193080.db2.gz LKKDTXWWYSDYNY-LURJTMIESA-N -1 0 300.208 -0.064 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001608460929 1019193913 /nfs/dbraw/zinc/19/39/13/1019193913.db2.gz ZDQMANDTYCSSOU-HZGVNTEJSA-N -1 0 306.278 -0.117 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001608487255 1019195017 /nfs/dbraw/zinc/19/50/17/1019195017.db2.gz AAFHCAQGOMMYAU-DTWKUNHWSA-N -1 0 310.331 -0.622 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001608492575 1019195390 /nfs/dbraw/zinc/19/53/90/1019195390.db2.gz LLWNINOPGZHWEC-GWOFURMSSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1cccc(-n2cncn2)n1 ZINC001608488738 1019195541 /nfs/dbraw/zinc/19/55/41/1019195541.db2.gz BNZQYYXTYZUOLG-GZMMTYOYSA-N -1 0 303.278 -0.366 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001608491342 1019195852 /nfs/dbraw/zinc/19/58/52/1019195852.db2.gz ADMFYGREYMBNNO-RGOKHQFPSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NC(=O)C2=NN(CCO)C(=O)CC2)[C@H]2C[C@H]21 ZINC001608491335 1019195870 /nfs/dbraw/zinc/19/58/70/1019195870.db2.gz ZFGNDLRQSXZMSL-LOKLDPHHSA-N -1 0 309.322 -0.818 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccncn2)C1 ZINC001608491476 1019196697 /nfs/dbraw/zinc/19/66/97/1019196697.db2.gz IPGLGMDHWIVELR-RGOKHQFPSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)N1C[C@H](CCO)[C@H](CO)C1)C2 ZINC001608492068 1019196804 /nfs/dbraw/zinc/19/68/04/1019196804.db2.gz UAVXZVFLBJMTRB-HJHSNUOESA-N -1 0 312.366 -0.128 20 0 DBADRM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1cccn2c(=O)[nH]nc12 ZINC001608487442 1019197610 /nfs/dbraw/zinc/19/76/10/1019197610.db2.gz VPDYCDGYYVDDOU-SECBINFHSA-N -1 0 316.277 -0.416 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001608536378 1019199718 /nfs/dbraw/zinc/19/97/18/1019199718.db2.gz NZKMGUZGVWEQKE-VXNVDRBHSA-N -1 0 310.310 -0.443 20 0 DBADRM O=C([O-])c1c(NC(=O)N[C@@H]2COCC[C@H]2O)nc2n1CCC2 ZINC001608526144 1019200636 /nfs/dbraw/zinc/20/06/36/1019200636.db2.gz FPKGWWHTIILVEI-HTQZYQBOSA-N -1 0 310.310 -0.201 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C1(O)CCOCC1)Cc1ccncc1 ZINC001608535812 1019200920 /nfs/dbraw/zinc/20/09/20/1019200920.db2.gz OOBFAICAIYIYMB-GFCCVEGCSA-N -1 0 308.334 -0.017 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)[C@@H]1CCCNC1=O ZINC001608537009 1019202151 /nfs/dbraw/zinc/20/21/51/1019202151.db2.gz SHYGCDVPPGXEER-RKDXNWHRSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)c2ccnc3n[nH]nc32)CC1 ZINC001608556632 1019203071 /nfs/dbraw/zinc/20/30/71/1019203071.db2.gz CQDUAVLFRIOPAA-JTQLQIEISA-N -1 0 305.294 -0.349 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC001608552636 1019203158 /nfs/dbraw/zinc/20/31/58/1019203158.db2.gz DKWFHOYLZMKROU-GWCFXTLKSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC001608570232 1019203217 /nfs/dbraw/zinc/20/32/17/1019203217.db2.gz BMLZCEUXKBXBNI-UHFFFAOYSA-N -1 0 320.367 -0.476 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(Cc2nc3c(c(=O)[nH]2)COCC3)CC1 ZINC001608558184 1019204758 /nfs/dbraw/zinc/20/47/58/1019204758.db2.gz SIFSXFDHQVDPFP-ZDUSSCGKSA-N -1 0 323.349 -0.088 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001608564610 1019205055 /nfs/dbraw/zinc/20/50/55/1019205055.db2.gz BVTZQYGRZRYDMQ-BXKDBHETSA-N -1 0 317.363 -0.296 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)N2CCC(F)CC2)CC1 ZINC001608554007 1019205088 /nfs/dbraw/zinc/20/50/88/1019205088.db2.gz MYRIXTUHHWMLOR-NSHDSACASA-N -1 0 316.329 -0.369 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)NCCN2CCCC2=O)CC1 ZINC001608553894 1019205175 /nfs/dbraw/zinc/20/51/75/1019205175.db2.gz CXUHXPFKNOMXHL-LBPRGKRZSA-N -1 0 313.354 -0.524 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC(CO)(CO)C2)CCCC1 ZINC001608570108 1019205188 /nfs/dbraw/zinc/20/51/88/1019205188.db2.gz DFTRXEOWJIJVDH-UHFFFAOYSA-N -1 0 307.368 -0.752 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC[C@@H](O)[C@H](CO)C2)CCC1 ZINC001608570165 1019205547 /nfs/dbraw/zinc/20/55/47/1019205547.db2.gz FTKCQAMPDYIUBR-VHSXEESVSA-N -1 0 307.368 -0.754 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)c2cnc3n2CCCC3)C1 ZINC001608579898 1019207820 /nfs/dbraw/zinc/20/78/20/1019207820.db2.gz VLITWCFFNLSQPA-UHFFFAOYSA-N -1 0 301.324 -0.961 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)CC[C@H]2CCCCO2)C1 ZINC001608578381 1019208317 /nfs/dbraw/zinc/20/83/17/1019208317.db2.gz FOUBHKQAYWDIOV-ZYHUDNBSSA-N -1 0 307.368 -0.203 20 0 DBADRM O=C([O-])C12CC(C(=O)N3CCO[C@H](CN4CCOCC4)C3)(C1)C2 ZINC001608581027 1019209508 /nfs/dbraw/zinc/20/95/08/1019209508.db2.gz QRFWJYIAEOPLOD-UWTIGNOOSA-N -1 0 324.377 -0.199 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)CSc2nncs2)C1 ZINC001608602012 1019216271 /nfs/dbraw/zinc/21/62/71/1019216271.db2.gz OAVVOSIRXMZFEQ-BQBZGAKWSA-N -1 0 303.365 -0.076 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)C(=O)NCC3CC=CC3)C2)C1 ZINC001608590146 1019211201 /nfs/dbraw/zinc/21/12/01/1019211201.db2.gz CHCFVHWMESOUDN-OAHLLOKOSA-N -1 0 321.333 -0.099 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)NCCOCC(F)F)C1 ZINC001608585475 1019212030 /nfs/dbraw/zinc/21/20/30/1019212030.db2.gz AUGWMADEJHHTLT-QMMMGPOBSA-N -1 0 306.265 -0.326 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 ZINC001608589808 1019212227 /nfs/dbraw/zinc/21/22/27/1019212227.db2.gz RYMMFHSTJWNLNL-CYBMUJFWSA-N -1 0 310.310 -0.766 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 ZINC001608588648 1019212326 /nfs/dbraw/zinc/21/23/26/1019212326.db2.gz KGKDYOIOKYAQME-AWEZNQCLSA-N -1 0 309.322 -0.169 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)NCCn3ccnc3)C2)C1 ZINC001608588287 1019212594 /nfs/dbraw/zinc/21/25/94/1019212594.db2.gz CGFKPQORHLPQKY-CYBMUJFWSA-N -1 0 307.310 -0.102 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)[C@H](O)c3ccccn3)C2)C1 ZINC001608590815 1019212753 /nfs/dbraw/zinc/21/27/53/1019212753.db2.gz GIHAKTQOCJPIAU-RISCZKNCSA-N -1 0 305.290 -0.053 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CCC3(C2)OCCO3)C1 ZINC001608586460 1019213685 /nfs/dbraw/zinc/21/36/85/1019213685.db2.gz JWFHEEAAAHDLHD-SNVBAGLBSA-N -1 0 310.306 -0.749 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)C1 ZINC001608586101 1019213757 /nfs/dbraw/zinc/21/37/57/1019213757.db2.gz HBPWIKWXKBEYLE-LLVKDONJSA-N -1 0 307.350 -0.417 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001608600662 1019214915 /nfs/dbraw/zinc/21/49/15/1019214915.db2.gz DZOFNYWLEVSVCA-SFYZADRCSA-N -1 0 306.278 -0.658 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2c[nH]cc(Cl)c2=O)C1 ZINC001608602466 1019215081 /nfs/dbraw/zinc/21/50/81/1019215081.db2.gz UFENVWPBIFYFKC-NKWVEPMBSA-N -1 0 300.698 -0.064 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)CCC(=O)N1CCOCC1 ZINC001608595196 1019215161 /nfs/dbraw/zinc/21/51/61/1019215161.db2.gz HLNJTTDADXGUMA-ZWNOBZJWSA-N -1 0 314.338 -0.938 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@H]2CCCN(C3CC3)C2=O)C1 ZINC001608601046 1019215432 /nfs/dbraw/zinc/21/54/32/1019215432.db2.gz IJZSXIVSUMLRIY-ADEWGFFLSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001608596838 1019215903 /nfs/dbraw/zinc/21/59/03/1019215903.db2.gz PXYICLPNKWNUCX-NXEZZACHSA-N -1 0 318.293 -0.688 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2cnc3nccnc3c2)C1 ZINC001608601700 1019216331 /nfs/dbraw/zinc/21/63/31/1019216331.db2.gz MCQKWTOZDSHPRQ-UWVGGRQHSA-N -1 0 302.290 -0.068 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001608597341 1019216713 /nfs/dbraw/zinc/21/67/13/1019216713.db2.gz XCVATCFJMFBNNK-PWSUYJOCSA-N -1 0 309.322 -0.335 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1cnc(N2CCOCC2)s1 ZINC001608608379 1019219146 /nfs/dbraw/zinc/21/91/46/1019219146.db2.gz YZXGPYJOGNFODS-ONGXEEELSA-N -1 0 313.379 -0.001 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(CC(=O)N2CCC2)CC1 ZINC001608609665 1019219262 /nfs/dbraw/zinc/21/92/62/1019219262.db2.gz CKLFFNYGYZFVBV-RYUDHWBXSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)Cn2nnc3c2CCCC3)C1 ZINC001608603538 1019219292 /nfs/dbraw/zinc/21/92/92/1019219292.db2.gz YLNWOLRUIMEXPK-VHSXEESVSA-N -1 0 308.338 -0.549 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cnsn2)CC1 ZINC001608610059 1019220928 /nfs/dbraw/zinc/22/09/28/1019220928.db2.gz GEEJHJUYIYDXOZ-HTQZYQBOSA-N -1 0 310.335 -0.457 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(Cc2nc(C3CC3)no2)C1 ZINC001608610027 1019221722 /nfs/dbraw/zinc/22/17/22/1019221722.db2.gz FVSGMOSQMNJXKR-NXEZZACHSA-N -1 0 306.322 -0.032 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cnc3n2CCC3)C1 ZINC001608609681 1019221822 /nfs/dbraw/zinc/22/18/22/1019221822.db2.gz CUEUTJPNZHXQMB-VHSXEESVSA-N -1 0 318.333 -0.509 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)Cc2cccnc2)C1 ZINC001608610693 1019221927 /nfs/dbraw/zinc/22/19/27/1019221927.db2.gz KRTXYWJFRFYZLR-RYUDHWBXSA-N -1 0 303.318 -0.328 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)c1ccccn1 ZINC001608610987 1019222615 /nfs/dbraw/zinc/22/26/15/1019222615.db2.gz OQNMTFCGJOVBMF-QWRGUYRKSA-N -1 0 321.333 -0.647 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)CCCC2CC2)C1 ZINC001608610267 1019223435 /nfs/dbraw/zinc/22/34/35/1019223435.db2.gz HRKSEQHZXYIWTK-NEPJUHHUSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnon1 ZINC001608611300 1019224449 /nfs/dbraw/zinc/22/44/49/1019224449.db2.gz ONNIKRHBHSGHSV-JXUBOQSCSA-N -1 0 320.305 -0.394 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)NCCCOCCO ZINC001608626099 1019232733 /nfs/dbraw/zinc/23/27/33/1019232733.db2.gz FXCDOAXYKJNIBF-GHMZBOCLSA-N -1 0 309.384 -0.052 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]21 ZINC001608611624 1019224584 /nfs/dbraw/zinc/22/45/84/1019224584.db2.gz UMWPFIFKSOXIJI-BIIVNPBRSA-N -1 0 304.306 -0.683 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2ccncc2F)C1 ZINC001608611897 1019225303 /nfs/dbraw/zinc/22/53/03/1019225303.db2.gz RURVJBDBNHFYRC-UWVGGRQHSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)Cn2ccnc2)CC1 ZINC001608611116 1019225552 /nfs/dbraw/zinc/22/55/52/1019225552.db2.gz NMKMQOBLNVGCIM-RYUDHWBXSA-N -1 0 320.349 -0.335 20 0 DBADRM O=C([O-])C1CC2(C1)CN(C(=O)[C@@]1(F)CC[NH2+]C1)C[C@H]2C(=O)[O-] ZINC001608611844 1019226025 /nfs/dbraw/zinc/22/60/25/1019226025.db2.gz VKYXSJZVBDFATN-KQQZCOEQSA-N -1 0 314.313 -0.288 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(F)cn3)C[C@H]21 ZINC001608612033 1019226810 /nfs/dbraw/zinc/22/68/10/1019226810.db2.gz XREVUNXWRLJPNJ-YOESCMDLSA-N -1 0 306.297 -0.113 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001608612555 1019227751 /nfs/dbraw/zinc/22/77/51/1019227751.db2.gz XKMSTBBUOIXTFO-BDAKNGLRSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2ccnc(F)c2)C1 ZINC001608612600 1019227809 /nfs/dbraw/zinc/22/78/09/1019227809.db2.gz XTZFVNXFCMNOCQ-UWVGGRQHSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)Cc2cccnc2)C1 ZINC001608612043 1019227859 /nfs/dbraw/zinc/22/78/59/1019227859.db2.gz SGVGUDGRDYEGNJ-QWHCGFSZSA-N -1 0 317.345 -0.081 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001608612556 1019228246 /nfs/dbraw/zinc/22/82/46/1019228246.db2.gz XKMSTBBUOIXTFO-DTWKUNHWSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2ccnc(F)c2)C1 ZINC001608612601 1019228964 /nfs/dbraw/zinc/22/89/64/1019228964.db2.gz XTZFVNXFCMNOCQ-VHSXEESVSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cocn3)C[C@H]21 ZINC001608612207 1019229418 /nfs/dbraw/zinc/22/94/18/1019229418.db2.gz YWOMEFXUJJDYRP-BIIVNPBRSA-N -1 0 305.290 -0.418 20 0 DBADRM O=C([O-])C1CC2(C1)C[C@H](NC(=O)C1CS(=O)(=O)C1)CCO2 ZINC001608613711 1019229430 /nfs/dbraw/zinc/22/94/30/1019229430.db2.gz SUXQGUHTIMCTPO-MDGUTJNFSA-N -1 0 317.363 -0.440 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC1 ZINC001608634988 1019230573 /nfs/dbraw/zinc/23/05/73/1019230573.db2.gz RDMKWHHRWDWDJS-GRYCIOLGSA-N -1 0 318.395 -0.270 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC(F)(F)C[C@H]2CO)C1=O ZINC001608630147 1019230839 /nfs/dbraw/zinc/23/08/39/1019230839.db2.gz ZRAZWOMAYKFCPP-DTWKUNHWSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)NCCn1ncnn1 ZINC001608626159 1019231374 /nfs/dbraw/zinc/23/13/74/1019231374.db2.gz GNPIFCJVSAMEOW-BDAKNGLRSA-N -1 0 303.344 -0.764 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC001608630751 1019231701 /nfs/dbraw/zinc/23/17/01/1019231701.db2.gz ZKPQPQKESMMBAW-CPCISQLKSA-N -1 0 324.255 -0.555 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC(F)(F)C[C@@H]2CO)C1=O ZINC001608630146 1019232465 /nfs/dbraw/zinc/23/24/65/1019232465.db2.gz ZRAZWOMAYKFCPP-BDAKNGLRSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCSC[C@H]2CO)C1=O ZINC001608628656 1019232832 /nfs/dbraw/zinc/23/28/32/1019232832.db2.gz HFEWDUVYVMPRKA-NXEZZACHSA-N -1 0 316.379 -0.754 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCc2cnc3n2CCOC3)CCO1 ZINC001608643381 1019233405 /nfs/dbraw/zinc/23/34/05/1019233405.db2.gz PYWJWTFLPXDMLV-SNVBAGLBSA-N -1 0 310.310 -0.592 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@H](O)[C@@H]2CCCO2)CC1 ZINC001608635694 1019233468 /nfs/dbraw/zinc/23/34/68/1019233468.db2.gz WECDWCZGILXGGS-QWRGUYRKSA-N -1 0 322.383 -0.843 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2[C@H]2COC3(CCC3)C2)CCO1 ZINC001608645912 1019233902 /nfs/dbraw/zinc/23/39/02/1019233902.db2.gz DXNLFRDPGGDVMI-ZJUUUORDSA-N -1 0 309.326 -0.153 20 0 DBADRM O=C([O-])[C@H]1CCN2C(=O)N(CCCn3cncn3)C(=O)[C@@H]2C1 ZINC001608639877 1019233909 /nfs/dbraw/zinc/23/39/09/1019233909.db2.gz IDMDMRHBHCJUHU-UWVGGRQHSA-N -1 0 307.310 -0.204 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CCC(=O)N2CCC(O)CC2)CCO1 ZINC001608642373 1019234487 /nfs/dbraw/zinc/23/44/87/1019234487.db2.gz ACWXYVVKUSRMRT-LLVKDONJSA-N -1 0 314.338 -0.938 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2COc3ccc(O)cc3O2)CCO1 ZINC001608642804 1019234604 /nfs/dbraw/zinc/23/46/04/1019234604.db2.gz XBXAZDPNMNHWKF-VXGBXAGGSA-N -1 0 309.274 -0.156 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)CC1 ZINC001608635702 1019234640 /nfs/dbraw/zinc/23/46/40/1019234640.db2.gz WZAXBFUPXWROBJ-HBNTYKKESA-N -1 0 304.368 -0.063 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1nccnc1Cl ZINC001608647856 1019236075 /nfs/dbraw/zinc/23/60/75/1019236075.db2.gz CLRSNNALOBPRSA-LURJTMIESA-N -1 0 319.726 -0.546 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccnc2[nH]cnc21 ZINC001608648243 1019236082 /nfs/dbraw/zinc/23/60/82/1019236082.db2.gz UCLCOCSPZAXHDC-QMMMGPOBSA-N -1 0 324.318 -0.718 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001608647768 1019236268 /nfs/dbraw/zinc/23/62/68/1019236268.db2.gz XJXHJTYTGUJVKG-QJPTWQEYSA-N -1 0 324.358 -0.105 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)CN2CCCNC2=O)C1 ZINC001608648202 1019236315 /nfs/dbraw/zinc/23/63/15/1019236315.db2.gz RSMIQHLJUDJAIN-SECBINFHSA-N -1 0 301.368 -0.322 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1nnc2n1CCCC2 ZINC001608648375 1019236381 /nfs/dbraw/zinc/23/63/81/1019236381.db2.gz XZDUOJNCVGKAHB-VIFPVBQESA-N -1 0 314.367 -0.702 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)CN1Cc2ccccc2OC1=O ZINC001608675414 1019237924 /nfs/dbraw/zinc/23/79/24/1019237924.db2.gz GEHSIIGSVQVQLD-SNVBAGLBSA-N -1 0 308.290 -0.047 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)CN1CCNC(=O)C1)c1ccc(F)cc1 ZINC001608670821 1019238321 /nfs/dbraw/zinc/23/83/21/1019238321.db2.gz VUBWELQKVYXPOG-GFCCVEGCSA-N -1 0 323.324 -0.111 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC001608676245 1019240411 /nfs/dbraw/zinc/24/04/11/1019240411.db2.gz PTXXMPMDHSEGGI-LURJTMIESA-N -1 0 313.335 -0.478 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@H](O)C2CCC2)CCS(=O)(=O)CC1 ZINC001608682036 1019240632 /nfs/dbraw/zinc/24/06/32/1019240632.db2.gz CCBWLGPFWGBVLO-LLVKDONJSA-N -1 0 319.379 -0.314 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1cccc2c1OCC2 ZINC001608675846 1019240966 /nfs/dbraw/zinc/24/09/66/1019240966.db2.gz LIVHAMOPMOFHJL-SECBINFHSA-N -1 0 308.290 -0.488 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1Cc2cccnc2C1 ZINC001608688938 1019242071 /nfs/dbraw/zinc/24/20/71/1019242071.db2.gz AIYCFJRPRPASAM-PWSUYJOCSA-N -1 0 303.318 -0.402 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ncnc2[nH]ccc21 ZINC001608690108 1019242339 /nfs/dbraw/zinc/24/23/39/1019242339.db2.gz YVFFJEBYPWUIQN-MRVPVSSYSA-N -1 0 303.278 -0.675 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cc2n(n1)CCC[C@H]2O ZINC001608689909 1019242487 /nfs/dbraw/zinc/24/24/87/1019242487.db2.gz RQQAPNIMXRSKPH-GHMZBOCLSA-N -1 0 322.321 -0.874 20 0 DBADRM O=C([O-])CC1(NS(=O)(=O)N2CCCOCC2)CCOCC1 ZINC001608688217 1019242705 /nfs/dbraw/zinc/24/27/05/1019242705.db2.gz FPNNCEUBVPRWFG-UHFFFAOYSA-N -1 0 322.383 -0.433 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cnc2nccnc2c1 ZINC001608689979 1019243015 /nfs/dbraw/zinc/24/30/15/1019243015.db2.gz UYQDIFNWIUBJMD-SNVBAGLBSA-N -1 0 315.289 -0.560 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCC(=O)c2cccn21 ZINC001608689485 1019243061 /nfs/dbraw/zinc/24/30/61/1019243061.db2.gz XAISVWRJWUWOBM-WDEREUQCSA-N -1 0 319.317 -0.193 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cn1nnc2ccccc21 ZINC001608690113 1019243830 /nfs/dbraw/zinc/24/38/30/1019243830.db2.gz ZDBBNXZOOXTBMY-NSHDSACASA-N -1 0 317.305 -0.767 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCCc2ccoc2)CCO1 ZINC001608698400 1019245265 /nfs/dbraw/zinc/24/52/65/1019245265.db2.gz CSWGOIDMQPNZTM-NSHDSACASA-N -1 0 310.306 -0.360 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001608695188 1019246071 /nfs/dbraw/zinc/24/60/71/1019246071.db2.gz OUMWAUCTUJQKCE-WDEREUQCSA-N -1 0 320.349 -0.151 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C[C@@H]2C=CS(=O)(=O)C2)CCO1 ZINC001608699232 1019246227 /nfs/dbraw/zinc/24/62/27/1019246227.db2.gz DWULTXNHDLAPPR-UWVGGRQHSA-N -1 0 303.336 -0.363 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCC[C@@]2(O)CCCOC2)CCO1 ZINC001608699217 1019246368 /nfs/dbraw/zinc/24/63/68/1019246368.db2.gz CXVVVNJUTNKREW-RISCZKNCSA-N -1 0 316.354 -0.197 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)CCO1 ZINC001608700247 1019246403 /nfs/dbraw/zinc/24/64/03/1019246403.db2.gz BSLTWSNILWZRHE-MRVPVSSYSA-N -1 0 306.278 -0.021 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)c1ccnc2[nH]c(=O)[nH]c21 ZINC001608701211 1019246463 /nfs/dbraw/zinc/24/64/63/1019246463.db2.gz RLRUNJWFWIBEHC-SSDOTTSWSA-N -1 0 306.278 -0.021 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N[C@@H]1CC12CC(O)C2 ZINC001574729813 1019247220 /nfs/dbraw/zinc/24/72/20/1019247220.db2.gz HQWQPVZYEWQVRC-RUETXSTFSA-N -1 0 302.327 -0.683 20 0 DBADRM O=C([O-])C[C@H]1COCCN1S(=O)(=O)CCn1cccn1 ZINC001608702433 1019247183 /nfs/dbraw/zinc/24/71/83/1019247183.db2.gz MVOZNNIBVSALEA-JTQLQIEISA-N -1 0 303.340 -0.612 20 0 DBADRM O=C([O-])CCCC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC001608708830 1019247193 /nfs/dbraw/zinc/24/71/93/1019247193.db2.gz XZZGYMMZNDNEAM-ZJUUUORDSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(O)cn1 ZINC001608703103 1019247353 /nfs/dbraw/zinc/24/73/53/1019247353.db2.gz KJUBDJZDIDIEMX-MRVPVSSYSA-N -1 0 314.319 -0.499 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C[C@@H](O)CC1(O)CCOCC1 ZINC001608701345 1019247442 /nfs/dbraw/zinc/24/74/42/1019247442.db2.gz YXGJTLFIFMHQCB-RYUDHWBXSA-N -1 0 303.355 -0.546 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCC[C@@]12CCOC2=O ZINC001608712623 1019248042 /nfs/dbraw/zinc/24/80/42/1019248042.db2.gz FDLXUCNIALMDFT-AWEZNQCLSA-N -1 0 312.322 -0.334 20 0 DBADRM O=C([O-])C[C@@H]1CN(c2nnnn2CC2CCOCC2)CCO1 ZINC001608701865 1019248586 /nfs/dbraw/zinc/24/85/86/1019248586.db2.gz RIITUWJDAHXYNE-LLVKDONJSA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)CCC(=O)N1CCOCC1 ZINC001608701395 1019248658 /nfs/dbraw/zinc/24/86/58/1019248658.db2.gz AQGFIXRWYNWZFA-LLVKDONJSA-N -1 0 314.338 -0.673 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC001608712642 1019248669 /nfs/dbraw/zinc/24/86/69/1019248669.db2.gz GMSCUQVZQLIZMM-AWEZNQCLSA-N -1 0 314.338 -0.625 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1ncccc1F ZINC001608702918 1019248732 /nfs/dbraw/zinc/24/87/32/1019248732.db2.gz DNGLUTQSSOZBJH-QMMMGPOBSA-N -1 0 316.310 -0.065 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)NCC(=O)N1CCOCC1 ZINC001608711717 1019249034 /nfs/dbraw/zinc/24/90/34/1019249034.db2.gz AVXMSXPDYNKZRZ-UHFFFAOYSA-N -1 0 322.383 -0.590 20 0 DBADRM O=C([O-])CCCNC(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC001608714663 1019250000 /nfs/dbraw/zinc/25/00/00/1019250000.db2.gz VAHQQWXFPALKBQ-UHFFFAOYSA-N -1 0 324.341 -0.105 20 0 DBADRM O=C([O-])CCCc1nc(CN2CCN3C(=O)NC[C@@H]3C2)no1 ZINC001608719207 1019250191 /nfs/dbraw/zinc/25/01/91/1019250191.db2.gz FJMOQWRASZVQPV-SECBINFHSA-N -1 0 309.326 -0.314 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CC[C@H](NC(=O)NC3CC3)C2)C1=O ZINC001608723575 1019251737 /nfs/dbraw/zinc/25/17/37/1019251737.db2.gz UDYKSJUXAHTHLM-RYUDHWBXSA-N -1 0 324.381 -0.402 20 0 DBADRM O=C([O-])CCN1CCC[C@H](N2CCN3C(=O)OC[C@H]3C2)C1=O ZINC001608725003 1019251935 /nfs/dbraw/zinc/25/19/35/1019251935.db2.gz BXMUZTYFSWCGKD-MNOVXSKESA-N -1 0 311.338 -0.412 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CCN(C(=O)C3CC3)CC2)C1=O ZINC001608723434 1019252049 /nfs/dbraw/zinc/25/20/49/1019252049.db2.gz PKCCGSGSLYVCSF-GFCCVEGCSA-N -1 0 309.366 -0.384 20 0 DBADRM O=C([O-])CCN1CCC[C@H](N2CCN3C(=O)NC[C@H]3C2)C1=O ZINC001608726037 1019253095 /nfs/dbraw/zinc/25/30/95/1019253095.db2.gz YZVCNMDFCYENFI-QWRGUYRKSA-N -1 0 310.354 -0.839 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)C[C@H]1CCCS1(=O)=O ZINC001608727115 1019254726 /nfs/dbraw/zinc/25/47/26/1019254726.db2.gz GEKFHQAEGQUJON-SECBINFHSA-N -1 0 320.367 -0.949 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](COCc1ccccc1)C(=O)[O-] ZINC001574798262 1019255098 /nfs/dbraw/zinc/25/50/98/1019255098.db2.gz TUTLECAADMEDFD-WOPDTQHZSA-N -1 0 306.318 -0.106 20 0 DBADRM O=C([O-])CCc1csc(NC(=O)N2C[C@H](O)[C@@H](O)C2)n1 ZINC001608741638 1019255996 /nfs/dbraw/zinc/25/59/96/1019255996.db2.gz UEQAHVVJMVXJSR-YUMQZZPRSA-N -1 0 301.324 -0.270 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N[C@H]2CC[C@@H](O)[C@@H](O)C2)O1 ZINC001608736413 1019256771 /nfs/dbraw/zinc/25/67/71/1019256771.db2.gz RQQFETLGLKAQJB-HHHUOAJASA-N -1 0 301.339 -0.211 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)Nc3cc(C(=O)[O-])n[nH]3)CC2=O)cn1 ZINC001574778440 1019256752 /nfs/dbraw/zinc/25/67/52/1019256752.db2.gz OOLRWJTWLPEGBU-SSDOTTSWSA-N -1 0 318.293 -0.167 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cccc2n[nH]nc21 ZINC001608728718 1019256916 /nfs/dbraw/zinc/25/69/16/1019256916.db2.gz RVQUXSSBFYTOHR-UHFFFAOYSA-N -1 0 305.294 -0.331 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@H]1CCCn2nccc21 ZINC001608727730 1019257378 /nfs/dbraw/zinc/25/73/78/1019257378.db2.gz ASUHPKYYNWEVFZ-JTQLQIEISA-N -1 0 323.353 -0.002 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)O1 ZINC001608736412 1019257701 /nfs/dbraw/zinc/25/77/01/1019257701.db2.gz RQQFETLGLKAQJB-CSYMLDBXSA-N -1 0 301.339 -0.211 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCN(c2cccc(F)n2)CC1 ZINC001608729473 1019258479 /nfs/dbraw/zinc/25/84/79/1019258479.db2.gz SUHUPAIVFFNHEY-UHFFFAOYSA-N -1 0 310.329 -0.066 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CC1CSC1 ZINC001608745489 1019259213 /nfs/dbraw/zinc/25/92/13/1019259213.db2.gz PBIAZKZJFQVGOK-UHFFFAOYSA-N -1 0 302.396 -0.015 20 0 DBADRM O=C([O-])C[N@@H+](CCN1CCOCC1)C[C@H](O)C(F)(F)F ZINC001608745671 1019260487 /nfs/dbraw/zinc/26/04/87/1019260487.db2.gz FBOMHSLGHCBBNY-VIFPVBQESA-N -1 0 300.277 -0.372 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CCc2nccn2C1 ZINC001608750048 1019260705 /nfs/dbraw/zinc/26/07/05/1019260705.db2.gz CZPRYHDXCVIDAZ-WDEREUQCSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CCCCCO ZINC001608745586 1019261562 /nfs/dbraw/zinc/26/15/62/1019261562.db2.gz YMIJMIGNCXOLEP-UHFFFAOYSA-N -1 0 302.371 -0.216 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1oc2ccccc2c1CO ZINC001608752688 1019263529 /nfs/dbraw/zinc/26/35/29/1019263529.db2.gz JTMVWJOSFGRKOL-UHFFFAOYSA-N -1 0 306.274 -0.144 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccnc(-c2ccccn2)n1 ZINC001608752598 1019263603 /nfs/dbraw/zinc/26/36/03/1019263603.db2.gz DXNCAHBGDBVVRE-UHFFFAOYSA-N -1 0 315.289 -0.531 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCc2cncn2C1 ZINC001608750462 1019264054 /nfs/dbraw/zinc/26/40/54/1019264054.db2.gz JRLZXQCVEHIXJH-ZYHUDNBSSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccnc(N2CCCCC2)n1 ZINC001608752710 1019264840 /nfs/dbraw/zinc/26/48/40/1019264840.db2.gz LFHJVBFBUICPSS-UHFFFAOYSA-N -1 0 321.337 -0.603 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc(C(F)(F)F)ncn1 ZINC001608753210 1019266154 /nfs/dbraw/zinc/26/61/54/1019266154.db2.gz QTBTWFRPEFNZNK-UHFFFAOYSA-N -1 0 306.200 -0.574 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1sccc1-n1ccnn1 ZINC001608752759 1019267060 /nfs/dbraw/zinc/26/70/60/1019267060.db2.gz NLVGEXVSIGZSNI-UHFFFAOYSA-N -1 0 309.307 -0.741 20 0 DBADRM O=C([O-])COCC(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC001608756561 1019267100 /nfs/dbraw/zinc/26/71/00/1019267100.db2.gz PXGMONRGHDRLIV-VIFPVBQESA-N -1 0 313.331 -0.225 20 0 DBADRM CC(C)CC(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001574825050 1019267930 /nfs/dbraw/zinc/26/79/30/1019267930.db2.gz CFODOIOPJZRFMF-UHFFFAOYSA-N -1 0 305.338 -0.085 20 0 DBADRM O=C([O-])COCCNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC001608756943 1019267836 /nfs/dbraw/zinc/26/78/36/1019267836.db2.gz KTMAOAXYVJHRQF-OAHLLOKOSA-N -1 0 306.318 -0.338 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2O ZINC001608753062 1019268126 /nfs/dbraw/zinc/26/81/26/1019268126.db2.gz GWYFCXKVKIXNIK-JTQLQIEISA-N -1 0 323.305 -0.913 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccc(N2CCOC2=O)c1 ZINC001608752779 1019268965 /nfs/dbraw/zinc/26/89/65/1019268965.db2.gz OYKISFRHSGCPPO-UHFFFAOYSA-N -1 0 321.289 -0.426 20 0 DBADRM O=C([O-])COCCNC(=O)NCc1nc([C@H]2CCCO2)n[nH]1 ZINC001608757584 1019269767 /nfs/dbraw/zinc/26/97/67/1019269767.db2.gz MWQZNHLSHCWUTE-MRVPVSSYSA-N -1 0 313.314 -0.443 20 0 DBADRM O=C([O-])CSCCC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001608766137 1019271836 /nfs/dbraw/zinc/27/18/36/1019271836.db2.gz RJXIITKXOBMMRN-RKDXNWHRSA-N -1 0 302.352 -0.690 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)NCCCCO)c1 ZINC001608764316 1019272413 /nfs/dbraw/zinc/27/24/13/1019272413.db2.gz RMDAUNQOLVDJAS-UHFFFAOYSA-N -1 0 310.306 -0.023 20 0 DBADRM O=C([O-])Cn1cc(CN[C@@H]2COc3ccccc3[C@@H]2O)nn1 ZINC001608797474 1019273610 /nfs/dbraw/zinc/27/36/10/1019273610.db2.gz ITIDQQCDCSWNMH-RISCZKNCSA-N -1 0 304.306 -0.053 20 0 DBADRM O=C([O-])Cn1cc(CN2CCOCC3(CCOCC3)C2)nn1 ZINC001608797178 1019274488 /nfs/dbraw/zinc/27/44/88/1019274488.db2.gz RRKYRMFIHOPCEL-UHFFFAOYSA-N -1 0 310.354 -0.008 20 0 DBADRM O=C([O-])Cc1sccc1C(=O)NC[C@@]1(CO)COCCN1 ZINC001608794989 1019275045 /nfs/dbraw/zinc/27/50/45/1019275045.db2.gz FWCLWAJBCMXTQJ-CYBMUJFWSA-N -1 0 314.363 -0.544 20 0 DBADRM O=C([O-])Cc1sccc1C(=O)NC[C@]1(CO)COCCN1 ZINC001608794990 1019275458 /nfs/dbraw/zinc/27/54/58/1019275458.db2.gz FWCLWAJBCMXTQJ-ZDUSSCGKSA-N -1 0 314.363 -0.544 20 0 DBADRM O=C([O-])Cn1cc(CCN2CCOC[C@@H]2[C@H]2CCCC2=O)nn1 ZINC001608796606 1019275885 /nfs/dbraw/zinc/27/58/85/1019275885.db2.gz HDODJYMSMVJBJO-CHWSQXEVSA-N -1 0 322.365 -0.025 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H](CO)[C@@H](O)c2cccnc2)O1 ZINC001608803838 1019278194 /nfs/dbraw/zinc/27/81/94/1019278194.db2.gz HMKAZKSPLARPSM-USZNOCQGSA-N -1 0 310.306 -0.776 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)O1 ZINC001608803879 1019278629 /nfs/dbraw/zinc/27/86/29/1019278629.db2.gz PYTJBIAWZGDEHF-RVMXOQNASA-N -1 0 312.366 -0.324 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H](CO)[C@@H](O)c2cccnc2)O1 ZINC001608803841 1019278658 /nfs/dbraw/zinc/27/86/58/1019278658.db2.gz HMKAZKSPLARPSM-WYUUTHIRSA-N -1 0 310.306 -0.776 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N[C@@H](CO)C2CCOCC2)C1 ZINC001608805380 1019278693 /nfs/dbraw/zinc/27/86/93/1019278693.db2.gz NMLCNIADDIZARQ-WOPDTQHZSA-N -1 0 321.395 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H](CO)[C@H](O)c2cccnc2)O1 ZINC001608803839 1019279232 /nfs/dbraw/zinc/27/92/32/1019279232.db2.gz HMKAZKSPLARPSM-WHOHXGKFSA-N -1 0 310.306 -0.776 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2COC3(CCOCC3)O2)O1 ZINC001608804116 1019279926 /nfs/dbraw/zinc/27/99/26/1019279926.db2.gz AMDDIMVNCIGTCL-MXWKQRLJSA-N -1 0 315.322 -0.343 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N1CCC(O)(COCCO)CC1 ZINC001608810970 1019280884 /nfs/dbraw/zinc/28/08/84/1019280884.db2.gz VBSBVOJWOWZHDC-GHMZBOCLSA-N -1 0 316.354 -0.748 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNS(=O)(=O)CC[C@H]1CCOC1 ZINC001608815325 1019281433 /nfs/dbraw/zinc/28/14/33/1019281433.db2.gz NNBHNXUXSDORTJ-GMTAPVOTSA-N -1 0 307.368 -0.178 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N(CCCO[C@@H]2CCOC2)C1=O ZINC001608814180 1019281615 /nfs/dbraw/zinc/28/16/15/1019281615.db2.gz REZYISYTAIRGJD-GWOFURMSSA-N -1 0 312.322 -0.177 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(-n2cncn2)n1 ZINC001608810591 1019282044 /nfs/dbraw/zinc/28/20/44/1019282044.db2.gz LBQRDSGTWKJINJ-SCZZXKLOSA-N -1 0 303.278 -0.678 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC001608810781 1019282205 /nfs/dbraw/zinc/28/22/05/1019282205.db2.gz DMEXSBAOPZRGOW-QCLAVDOMSA-N -1 0 303.336 -0.878 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N(CCCO[C@H]2CCOC2)C1=O ZINC001608814182 1019283476 /nfs/dbraw/zinc/28/34/76/1019283476.db2.gz REZYISYTAIRGJD-ZDCRXTMVSA-N -1 0 312.322 -0.177 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N([C@H]2CC(=O)N(C3CC3)C2)C1=O ZINC001608814395 1019283674 /nfs/dbraw/zinc/28/36/74/1019283674.db2.gz VNYSHBBXXKCMJG-SJQPAMGKSA-N -1 0 307.306 -0.609 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(c3nnnn3CCCn3cccn3)C[C@@H]21 ZINC001608817247 1019284533 /nfs/dbraw/zinc/28/45/33/1019284533.db2.gz HRVAADJIHRJLNX-URLYPYJESA-N -1 0 303.326 -0.273 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCCN2CCCOCC2)C1 ZINC001608824399 1019284547 /nfs/dbraw/zinc/28/45/47/1019284547.db2.gz UOBHGXOKRABFLG-PHIMTYICSA-N -1 0 306.384 -0.509 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@@H](CO)[C@@H]2CCCOC2)C1 ZINC001608824331 1019285297 /nfs/dbraw/zinc/28/52/97/1019285297.db2.gz QXNSYJUXYMDSEP-ZNSHCXBVSA-N -1 0 307.368 -0.444 20 0 DBADRM O=C([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CCNC1=O ZINC001608829978 1019285450 /nfs/dbraw/zinc/28/54/50/1019285450.db2.gz VXJYLELCOKAGDQ-ZETCQYMHSA-N -1 0 302.283 -0.309 20 0 DBADRM O=C([O-])c1c(NC(=O)N2CCOC[C@H]2CO)nc2n1CCC2 ZINC001608830419 1019285909 /nfs/dbraw/zinc/28/59/09/1019285909.db2.gz NKPXDQZKEFRZDI-MRVPVSSYSA-N -1 0 310.310 -0.248 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1cc(Br)n[nH]1 ZINC001608823291 1019286297 /nfs/dbraw/zinc/28/62/97/1019286297.db2.gz JPPQFIMGHYNEHC-INEUFUBQSA-N -1 0 304.100 -0.168 20 0 DBADRM O=C([O-])c1c(NC(=O)N2CC[C@H](O)[C@@H](CO)C2)nc2n1CCC2 ZINC001608829804 1019286971 /nfs/dbraw/zinc/28/69/71/1019286971.db2.gz OMUSTHSSZFROMH-BDAKNGLRSA-N -1 0 324.337 -0.266 20 0 DBADRM O=C([O-])c1cc(C(=O)N(CCO)CCN2CCOCC2)no1 ZINC001608834684 1019287309 /nfs/dbraw/zinc/28/73/09/1019287309.db2.gz YQCQQRANXKXWJW-UHFFFAOYSA-N -1 0 313.310 -0.861 20 0 DBADRM O=C([O-])c1cc(C2CN(C(=O)c3ccn4nnnc4c3)C2)[nH]n1 ZINC001608840718 1019288196 /nfs/dbraw/zinc/28/81/96/1019288196.db2.gz GDKWTVQXMSBYQO-UHFFFAOYSA-N -1 0 313.277 -0.215 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC2(CO)CCOCC2)n[nH]1 ZINC001608860885 1019288471 /nfs/dbraw/zinc/28/84/71/1019288471.db2.gz FKEIYJINAZFCGL-UHFFFAOYSA-N -1 0 319.339 -0.825 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H](OCCO)C2)n[nH]1 ZINC001608859140 1019289320 /nfs/dbraw/zinc/28/93/20/1019289320.db2.gz DLPVRMPRYNUPBT-MRVPVSSYSA-N -1 0 319.339 -0.730 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)c[nH]1 ZINC001608859011 1019289437 /nfs/dbraw/zinc/28/94/37/1019289437.db2.gz WVVBLKOPTPGBCO-VIFPVBQESA-N -1 0 315.351 -0.582 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H](CCO)C2)n[nH]1 ZINC001608859217 1019289627 /nfs/dbraw/zinc/28/96/27/1019289627.db2.gz JCPGVLCVFUQFFJ-MRVPVSSYSA-N -1 0 303.340 -0.109 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN3CCOC[C@]3(CO)C2)c[nH]1 ZINC001608836311 1019290567 /nfs/dbraw/zinc/29/05/67/1019290567.db2.gz VBDAMFKHNOKCEO-CQSZACIVSA-N -1 0 309.322 -0.768 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@@]3(CCOC3=O)C2)n[nH]1 ZINC001608858654 1019290997 /nfs/dbraw/zinc/29/09/97/1019290997.db2.gz YWOJHKXEBLGRGN-LLVKDONJSA-N -1 0 315.307 -0.564 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCCN(CCF)C2)n[nH]1 ZINC001608860351 1019291052 /nfs/dbraw/zinc/29/10/52/1019291052.db2.gz HEMRYPOXQNEKJY-MRVPVSSYSA-N -1 0 320.346 -0.180 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCc3nccnc3C2)on1 ZINC001608859688 1019291242 /nfs/dbraw/zinc/29/12/42/1019291242.db2.gz DRZRCDYJFOJJGV-UHFFFAOYSA-N -1 0 310.291 -0.090 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCC2CS(=O)(=O)C2)c[nH]1 ZINC001608861738 1019293281 /nfs/dbraw/zinc/29/32/81/1019293281.db2.gz MYHIDEIRORGLKP-UHFFFAOYSA-N -1 0 322.364 -0.574 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CCN(c3cnccn3)CC2)n1 ZINC001608870825 1019293511 /nfs/dbraw/zinc/29/35/11/1019293511.db2.gz QEAGOOYRQOKDLJ-UHFFFAOYSA-N -1 0 316.321 -0.489 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCCn2ccc(=O)[nH]c2=O)nc1 ZINC001608874782 1019293812 /nfs/dbraw/zinc/29/38/12/1019293812.db2.gz IJZJKLBDDPMASG-UHFFFAOYSA-N -1 0 318.289 -0.138 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3CCOC[C@]3(CO)C2)o1 ZINC001608873136 1019294481 /nfs/dbraw/zinc/29/44/81/1019294481.db2.gz NAMVALIEMDBDHR-CQSZACIVSA-N -1 0 310.306 -0.503 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H](O)[C@@H]2CCCO2)o1 ZINC001608911987 1019295620 /nfs/dbraw/zinc/29/56/20/1019295620.db2.gz JPSLOJNQOJPLFK-SFYZADRCSA-N -1 0 305.308 -0.204 20 0 DBADRM O=C([O-])c1ccccc1CS(=O)(=O)NC[C@]1(O)CCOC1 ZINC001608947140 1019296109 /nfs/dbraw/zinc/29/61/09/1019296109.db2.gz JWYYFMGMRJUQLL-CYBMUJFWSA-N -1 0 315.347 -0.044 20 0 DBADRM O=C([O-])c1ccccc1CS(=O)(=O)N(CCO)CCO ZINC001608947654 1019296845 /nfs/dbraw/zinc/29/68/45/1019296845.db2.gz YAUHHXGQBZCKLV-UHFFFAOYSA-N -1 0 303.336 -0.499 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H](O)[C@H]2CCCO2)o1 ZINC001608911985 1019297006 /nfs/dbraw/zinc/29/70/06/1019297006.db2.gz JPSLOJNQOJPLFK-HTQZYQBOSA-N -1 0 305.308 -0.204 20 0 DBADRM O=C([O-])c1ccccc1CN1CCN2[C@H](CNS2(=O)=O)C1 ZINC001608946506 1019297404 /nfs/dbraw/zinc/29/74/04/1019297404.db2.gz NQMAFLCDEQFUDF-LLVKDONJSA-N -1 0 311.363 -0.281 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001608955698 1019299029 /nfs/dbraw/zinc/29/90/29/1019299029.db2.gz KTLCBFQXXKYEIY-DTWKUNHWSA-N -1 0 316.335 -0.583 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCOC[C@@H]2C[C@@H]2CCCO2)nn1 ZINC001608963281 1019300155 /nfs/dbraw/zinc/30/01/55/1019300155.db2.gz HIMNPZXFGQBBAK-QWRGUYRKSA-N -1 0 324.337 -0.227 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@H](OC(F)F)C2)nn1 ZINC001608963842 1019302353 /nfs/dbraw/zinc/30/23/53/1019302353.db2.gz LMKJZKIBUZMIQS-ZETCQYMHSA-N -1 0 319.268 -0.001 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H]3CCNC(=O)[C@H]32)nn1 ZINC001608963534 1019302389 /nfs/dbraw/zinc/30/23/89/1019302389.db2.gz VJQCRAFQELMTEE-KCJUWKMLSA-N -1 0 307.310 -0.897 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)nn1 ZINC001608963702 1019302429 /nfs/dbraw/zinc/30/24/29/1019302429.db2.gz GASJQHBWXYYNJM-DHHPTOIESA-N -1 0 323.353 -0.221 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CC[C@@H](n2cccn2)C1 ZINC001608964850 1019302980 /nfs/dbraw/zinc/30/29/80/1019302980.db2.gz MWARNGSDKMUZHC-MRVPVSSYSA-N -1 0 311.323 -0.060 20 0 DBADRM O=C([O-])c1cnc(CN2CCN(CC(F)(F)CO)CC2)cn1 ZINC001608971514 1019303265 /nfs/dbraw/zinc/30/32/65/1019303265.db2.gz LUJUKUFTMKFLSO-UHFFFAOYSA-N -1 0 316.308 -0.080 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCc1cnc2n1CCC2 ZINC001608965388 1019303543 /nfs/dbraw/zinc/30/35/43/1019303543.db2.gz OAFZWCWFFLWQCQ-UHFFFAOYSA-N -1 0 311.323 -0.271 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)[C@@]3(F)CCOC3)C2)nc1 ZINC001608974487 1019303793 /nfs/dbraw/zinc/30/37/93/1019303793.db2.gz WHNMBNZSXAPNOV-QMTHXVAHSA-N -1 0 324.312 -0.002 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)[C@H]2CCOC2)nc1 ZINC001608976683 1019304856 /nfs/dbraw/zinc/30/48/56/1019304856.db2.gz BGUIVINKYZBRCZ-WPRPVWTQSA-N -1 0 310.310 -0.900 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)c2ccsn2)nc1 ZINC001608976188 1019304899 /nfs/dbraw/zinc/30/48/99/1019304899.db2.gz JDGJIYYZGRZVTQ-QMMMGPOBSA-N -1 0 323.334 -0.166 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)c2ccco2)nc1 ZINC001608975961 1019305044 /nfs/dbraw/zinc/30/50/44/1019305044.db2.gz DCKQUYYBOREDNC-SECBINFHSA-N -1 0 306.278 -0.029 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N[C@H](CO)[C@H]2CCOC2)c1 ZINC001608982525 1019305293 /nfs/dbraw/zinc/30/52/93/1019305293.db2.gz NKUCUOYTOPONFJ-GZMMTYOYSA-N -1 0 316.335 -0.545 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)NCCCn2ccnn2)c1 ZINC001608982878 1019305315 /nfs/dbraw/zinc/30/53/15/1019305315.db2.gz CPSFAJVBJOBTEG-UHFFFAOYSA-N -1 0 311.323 -0.260 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cn[nH]n2)nc1 ZINC001608975863 1019305643 /nfs/dbraw/zinc/30/56/43/1019305643.db2.gz SRXKPBCEAUNJCU-IUCAKERBSA-N -1 0 315.293 -0.604 20 0 DBADRM O=C([O-])c1cncc(C(=O)NCCCn2cc(CO)nn2)c1 ZINC001608979794 1019306366 /nfs/dbraw/zinc/30/63/66/1019306366.db2.gz VKNSZLMPWZVZPR-UHFFFAOYSA-N -1 0 305.294 -0.316 20 0 DBADRM O=C([O-])c1nc(N2CCC[C@H](NC(=O)c3nnc[n-]3)C2)cc[nH+]1 ZINC001608997473 1019307351 /nfs/dbraw/zinc/30/73/51/1019307351.db2.gz BXVZVPXLNUTLJG-QMMMGPOBSA-N -1 0 317.309 -0.308 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)[C@@H]2CC=CCC2)n1 ZINC001608999251 1019308420 /nfs/dbraw/zinc/30/84/20/1019308420.db2.gz RRDXFOWNMCUICR-GHMZBOCLSA-N -1 0 320.349 -0.158 20 0 DBADRM O=C([O-])c1nc(C(=O)N2CC(C3CS(=O)(=O)C3)C2)cs1 ZINC001608995279 1019308902 /nfs/dbraw/zinc/30/89/02/1019308902.db2.gz PKTGGLFBYPONDY-UHFFFAOYSA-N -1 0 316.360 -0.042 20 0 DBADRM O=C([O-])c1nccc(N[C@H](CO)CNC(=O)c2ccns2)n1 ZINC001608999247 1019309050 /nfs/dbraw/zinc/30/90/50/1019309050.db2.gz RNIJCAKQQAIZLX-ZETCQYMHSA-N -1 0 323.334 -0.744 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1C[C@H]2C[C@@]2(CO)C1 ZINC001609003619 1019311201 /nfs/dbraw/zinc/31/12/01/1019311201.db2.gz VSKSVGZUGXCXOO-LDWIPMOCSA-N -1 0 304.349 -0.156 20 0 DBADRM O=C([O-])c1ncoc1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001609002661 1019311926 /nfs/dbraw/zinc/31/19/26/1019311926.db2.gz CHWAFYHLVVSJEP-ZETCQYMHSA-N -1 0 319.277 -0.235 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1CCC(CO)(CO)C1 ZINC001609005544 1019313633 /nfs/dbraw/zinc/31/36/33/1019313633.db2.gz RQJLOPZPKADHAR-UHFFFAOYSA-N -1 0 322.364 -0.793 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)c2cc3c(cn2)OCCO3)CC1 ZINC001609028280 1019314372 /nfs/dbraw/zinc/31/43/72/1019314372.db2.gz TZNRXTPUXMGVCM-UHFFFAOYSA-N -1 0 308.290 -0.096 20 0 DBADRM O=C([O-])[C@]1(O)CCN(c2ccnc(C(=O)N3CCOCC3)c2)C1 ZINC001609027754 1019314842 /nfs/dbraw/zinc/31/48/42/1019314842.db2.gz RZMURZMPFUZNIB-HNNXBMFYSA-N -1 0 321.333 -0.420 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001609036506 1019315532 /nfs/dbraw/zinc/31/55/32/1019315532.db2.gz WQSRJCFVOSAAAN-SFYZADRCSA-N -1 0 320.305 -0.415 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)nn1 ZINC001609038059 1019315575 /nfs/dbraw/zinc/31/55/75/1019315575.db2.gz ONIWAYICQPAWHY-VHSXEESVSA-N -1 0 321.337 -0.192 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)NCC[C@H]3CNC(=O)C3)C2)C1 ZINC001609036557 1019315793 /nfs/dbraw/zinc/31/57/93/1019315793.db2.gz XWMPHEXAWWHNOJ-OTYXRUKQSA-N -1 0 324.337 -0.472 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001609034389 1019316512 /nfs/dbraw/zinc/31/65/12/1019316512.db2.gz NLCOCEUILFSGIH-DTWKUNHWSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])c1cc(C2CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)[nH]n1 ZINC001609035922 1019316564 /nfs/dbraw/zinc/31/65/64/1019316564.db2.gz QZEWRYGSRXSVHF-ZCFIWIBFSA-N -1 0 306.278 -0.914 20 0 DBADRM O=C(C[C@@H]1CC(=O)NC1=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609035432 1019316648 /nfs/dbraw/zinc/31/66/48/1019316648.db2.gz OVSQHYZVFHKEQT-GHMZBOCLSA-N -1 0 304.302 -0.149 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)[C@@H]3CCC(=O)C3)CC2)CCOC1 ZINC001609034563 1019316702 /nfs/dbraw/zinc/31/67/02/1019316702.db2.gz WLFBIJGZINJDHD-IAQYHMDHSA-N -1 0 310.350 -0.257 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)NCC[C@@H]3CNC(=O)C3)C2)C1 ZINC001609036556 1019316727 /nfs/dbraw/zinc/31/67/27/1019316727.db2.gz XWMPHEXAWWHNOJ-LKFCYVNXSA-N -1 0 324.337 -0.472 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)nn1 ZINC001609035631 1019317102 /nfs/dbraw/zinc/31/71/02/1019317102.db2.gz KPAIFNMVSIBICI-VHSXEESVSA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2[C@@H]3CC[C@H]2CNC(=O)C3)C1 ZINC001609034404 1019317448 /nfs/dbraw/zinc/31/74/48/1019317448.db2.gz NXDJJBZCXCWHCA-ZNSHCXBVSA-N -1 0 316.379 -0.078 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N[C@@H]2CCC(=O)NC2=O)n1 ZINC001609037558 1019317470 /nfs/dbraw/zinc/31/74/70/1019317470.db2.gz ZELKEMZXKDJSDX-MRVPVSSYSA-N -1 0 308.294 -0.717 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)nn1 ZINC001609035632 1019317640 /nfs/dbraw/zinc/31/76/40/1019317640.db2.gz KPAIFNMVSIBICI-ZJUUUORDSA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)c2ccnc3c2CC(=O)N3)CCOC1 ZINC001609043049 1019318314 /nfs/dbraw/zinc/31/83/14/1019318314.db2.gz OHRGHTOGPZGSHE-AWEZNQCLSA-N -1 0 305.290 -0.203 20 0 DBADRM O=C([O-])c1cc(F)ccc1NC(=O)C(=O)N1CCCNC(=O)C1 ZINC001609040510 1019318461 /nfs/dbraw/zinc/31/84/61/1019318461.db2.gz LZDLIOKHVHECLS-UHFFFAOYSA-N -1 0 323.280 -0.189 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)NCCN2CCNC(=O)C2)c1 ZINC001609041029 1019318737 /nfs/dbraw/zinc/31/87/37/1019318737.db2.gz KXEKZNCFHWMELG-UHFFFAOYSA-N -1 0 307.310 -0.667 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC001609043511 1019319808 /nfs/dbraw/zinc/31/98/08/1019319808.db2.gz BEEMTQMGHGZFIP-FZNYLWTLSA-N -1 0 309.322 -0.312 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)[C@H]3CSC(=O)N3)C2)nn1 ZINC001609043342 1019320181 /nfs/dbraw/zinc/32/01/81/1019320181.db2.gz CCQDMRHYDZAJPS-HTRCEHHLSA-N -1 0 311.323 -0.425 20 0 DBADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001609044035 1019320367 /nfs/dbraw/zinc/32/03/67/1019320367.db2.gz JOSFAIBPJQOVSP-WDEREUQCSA-N -1 0 317.301 -0.377 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)c2ccccc2O1 ZINC001609044651 1019320778 /nfs/dbraw/zinc/32/07/78/1019320778.db2.gz SYQNVBAVWZHNBJ-XVKPBYJWSA-N -1 0 319.273 -0.537 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2C(=O)NCC23CCOCC3)O1 ZINC001609045016 1019321576 /nfs/dbraw/zinc/32/15/76/1019321576.db2.gz HHWPZWVKOMXDRL-UTLUCORTSA-N -1 0 312.322 -0.970 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)NC[C@@H]2CCCNC2=O)CC1 ZINC001609045053 1019321708 /nfs/dbraw/zinc/32/17/08/1019321708.db2.gz IJSFWORQXBTTOO-QWRGUYRKSA-N -1 0 313.354 -0.620 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@H]1COC(=O)N1)Oc1ccc(F)cc1 ZINC001609045927 1019321831 /nfs/dbraw/zinc/32/18/31/1019321831.db2.gz SOFZSUCDOLMORS-NXEZZACHSA-N -1 0 312.253 -0.118 20 0 DBADRM O=C([O-])c1ccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c(F)c1 ZINC001609045437 1019321849 /nfs/dbraw/zinc/32/18/49/1019321849.db2.gz WPDCPGOKQZYUIE-LLVKDONJSA-N -1 0 321.308 -0.334 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2coc3c2C(=O)NCCC3)CCO1 ZINC001609045423 1019322300 /nfs/dbraw/zinc/32/23/00/1019322300.db2.gz WJQXKUFCWWEEBX-JTQLQIEISA-N -1 0 308.290 -0.119 20 0 DBADRM O=C([O-])c1c(NC(=O)N2CC3(C2)CNC(=O)O3)nc2n1CCC2 ZINC001609045299 1019322546 /nfs/dbraw/zinc/32/25/46/1019322546.db2.gz QYHJJXOENLTSBJ-UHFFFAOYSA-N -1 0 321.293 -0.146 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@@]23COCCN2C(=O)COC3)[nH]1 ZINC001574965459 1019332306 /nfs/dbraw/zinc/33/23/06/1019332306.db2.gz WWWPMINSFZJXNQ-AWEZNQCLSA-N -1 0 323.305 -0.930 20 0 DBADRM CC(C)[C@H](CCO)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609087520 1019336348 /nfs/dbraw/zinc/33/63/48/1019336348.db2.gz ZXRPEMZVTBHDAZ-BDAKNGLRSA-N -1 0 308.346 -0.458 20 0 DBADRM CC(C)[C@@H](CCO)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609087523 1019338451 /nfs/dbraw/zinc/33/84/51/1019338451.db2.gz ZXRPEMZVTBHDAZ-RKDXNWHRSA-N -1 0 308.346 -0.458 20 0 DBADRM C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCOC1 ZINC001609120153 1019342586 /nfs/dbraw/zinc/34/25/86/1019342586.db2.gz XMYWDIHVAFWJGQ-DTWKUNHWSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@@H](CO)[C@H](C)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001609114759 1019342823 /nfs/dbraw/zinc/34/28/23/1019342823.db2.gz VJDKQUPCENWNJB-YUMQZZPRSA-N -1 0 312.355 -0.443 20 0 DBADRM C[C@H](CO)[C@H](C)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001609114758 1019344959 /nfs/dbraw/zinc/34/49/59/1019344959.db2.gz VJDKQUPCENWNJB-SFYZADRCSA-N -1 0 312.355 -0.443 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001609118629 1019345652 /nfs/dbraw/zinc/34/56/52/1019345652.db2.gz USODGRIZUCBSDK-BDAKNGLRSA-N -1 0 320.357 -0.050 20 0 DBADRM C[C@@H](NC(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@H]1CCOC1 ZINC001609120280 1019345910 /nfs/dbraw/zinc/34/59/10/1019345910.db2.gz CSFZDWXUTGGPLS-BDAKNGLRSA-N -1 0 321.345 -0.818 20 0 DBADRM C[C@@H](OCC1CC1)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609133044 1019352024 /nfs/dbraw/zinc/35/20/24/1019352024.db2.gz QTBSKZWISOKRGN-MRVPVSSYSA-N -1 0 306.330 -0.611 20 0 DBADRM C/C=C(/C)C(=O)NCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001575007280 1019354937 /nfs/dbraw/zinc/35/49/37/1019354937.db2.gz MHSRNLLPNKCNIH-OQFOIZHKSA-N -1 0 318.337 -0.730 20 0 DBADRM O=C(CC1CC1)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001505583401 1019354887 /nfs/dbraw/zinc/35/48/87/1019354887.db2.gz FYLMLRYVKSFAQI-QMMMGPOBSA-N -1 0 307.310 -0.586 20 0 DBADRM C[C@H](c1nc(-c2cnccn2)no1)n1cnc(-c2nnn[n-]2)n1 ZINC001609142213 1019355374 /nfs/dbraw/zinc/35/53/74/1019355374.db2.gz PNWCATORGINMMA-ZCFIWIBFSA-N -1 0 311.269 -0.093 20 0 DBADRM C[C@H]1C[C@H](O)CN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001609156941 1019356068 /nfs/dbraw/zinc/35/60/68/1019356068.db2.gz FZLXGSSURHFBJJ-YUMQZZPRSA-N -1 0 310.339 -0.595 20 0 DBADRM CC1(C)[C@@H](O)CCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609143390 1019356638 /nfs/dbraw/zinc/35/66/38/1019356638.db2.gz JZTATGVOLNYKOZ-QMMMGPOBSA-N -1 0 321.345 -0.987 20 0 DBADRM C[C@@H]1CCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001609167342 1019360167 /nfs/dbraw/zinc/36/01/67/1019360167.db2.gz VBCCDRWETYWDGV-MRVPVSSYSA-N -1 0 305.342 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)Cc2c(C)n[nH]c2C)c1[O-] ZINC001575026025 1019364226 /nfs/dbraw/zinc/36/42/26/1019364226.db2.gz BZTIDJISMZHDHZ-UHFFFAOYSA-N -1 0 320.353 -0.148 20 0 DBADRM CC(C)=CC(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001505601226 1019369465 /nfs/dbraw/zinc/36/94/65/1019369465.db2.gz OSDZDRWQNCRITQ-SECBINFHSA-N -1 0 309.326 -0.627 20 0 DBADRM CC[C@H](C)C[C@H](CO)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609185241 1019369548 /nfs/dbraw/zinc/36/95/48/1019369548.db2.gz CPMVVVBDRIPZTK-IVZWLZJFSA-N -1 0 322.373 -0.068 20 0 DBADRM CC[C@H](O)CCCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609195262 1019372716 /nfs/dbraw/zinc/37/27/16/1019372716.db2.gz DYOXFOWMJFKIBI-VIFPVBQESA-N -1 0 323.361 -0.692 20 0 DBADRM CCN([C@@H](C)CO)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001609226130 1019374552 /nfs/dbraw/zinc/37/45/52/1019374552.db2.gz CLFNAESCCPKWKD-QMMMGPOBSA-N -1 0 312.355 -0.347 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001505615554 1019378855 /nfs/dbraw/zinc/37/88/55/1019378855.db2.gz SBXYZIMQZDOUNI-SFYZADRCSA-N -1 0 309.326 -0.340 20 0 DBADRM CCN(C)C(=O)Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCC2 ZINC001609220576 1019379214 /nfs/dbraw/zinc/37/92/14/1019379214.db2.gz DFCFTTFCPRESOR-UHFFFAOYSA-N -1 0 302.338 -0.005 20 0 DBADRM CCC[C@]1(CO)CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001609206525 1019379917 /nfs/dbraw/zinc/37/99/17/1019379917.db2.gz CERKTGXFUPGQST-CYBMUJFWSA-N -1 0 320.357 -0.388 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)Cn1cnc(-c2nnn[n-]2)cc1=O ZINC001609231844 1019383189 /nfs/dbraw/zinc/38/31/89/1019383189.db2.gz WPNNAWCXTIMNNU-UHFFFAOYSA-N -1 0 320.309 -0.418 20 0 DBADRM CCOC[C@@H](O)Cn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O ZINC001609240070 1019384482 /nfs/dbraw/zinc/38/44/82/1019384482.db2.gz IPCNXUNLEQMSBX-VIFPVBQESA-N -1 0 323.309 -0.788 20 0 DBADRM CCO[C@H]1C[C@@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001609242248 1019389259 /nfs/dbraw/zinc/38/92/59/1019389259.db2.gz XWEFMJGCVVWGKX-OCAPTIKFSA-N -1 0 321.341 -0.757 20 0 DBADRM CCn1cc(Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)cn1 ZINC001609258609 1019389436 /nfs/dbraw/zinc/38/94/36/1019389436.db2.gz DYCZTZHQXTWRIX-UHFFFAOYSA-N -1 0 317.313 -0.776 20 0 DBADRM CCc1nn(CC[S@](C)=O)c(=O)c(-c2nnn[n-]2)c1CC ZINC001609255202 1019391621 /nfs/dbraw/zinc/39/16/21/1019391621.db2.gz DTDPBOBNOLMNOK-NRFANRHFSA-N -1 0 310.383 -0.073 20 0 DBADRM CN(CC(C)(CO)CO)C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609273072 1019398922 /nfs/dbraw/zinc/39/89/22/1019398922.db2.gz OZZRRKBFACBOJL-UHFFFAOYSA-N -1 0 321.337 -0.365 20 0 DBADRM COC(=O)[C@H](C)NS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001609301327 1019421886 /nfs/dbraw/zinc/42/18/86/1019421886.db2.gz JJSKRZAZNKSAFO-LURJTMIESA-N -1 0 312.311 -0.899 20 0 DBADRM COC(=O)CCCOC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609298502 1019422707 /nfs/dbraw/zinc/42/27/07/1019422707.db2.gz WSZNZRBBMRCJLM-SSDOTTSWSA-N -1 0 309.286 -0.484 20 0 DBADRM COC[C@@H]1CCCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001609319665 1019432296 /nfs/dbraw/zinc/43/22/96/1019432296.db2.gz JGBKAIZTILPDQA-SNVBAGLBSA-N -1 0 320.357 -0.267 20 0 DBADRM COc1cc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)nn1C ZINC001609346075 1019434809 /nfs/dbraw/zinc/43/48/09/1019434809.db2.gz BFQPLJGXPIRTAA-ZCFIWIBFSA-N -1 0 318.301 -0.600 20 0 DBADRM COCc1nc(Cn2nc(C)c(C)c(-c3nnn[n-]3)c2=O)no1 ZINC001609331435 1019435616 /nfs/dbraw/zinc/43/56/16/1019435616.db2.gz JSZNBCIYVMEVFW-UHFFFAOYSA-N -1 0 318.297 -0.382 20 0 DBADRM COc1cc(CNC(=O)c2n[nH]c(=O)[n-]2)ccc1-c1nn[nH]n1 ZINC001609343650 1019438049 /nfs/dbraw/zinc/43/80/49/1019438049.db2.gz BBPKOTUKUQWRFO-UHFFFAOYSA-N -1 0 316.281 -0.371 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)CC(C)(C)O)c1[O-] ZINC001505692622 1019441026 /nfs/dbraw/zinc/44/10/26/1019441026.db2.gz JSYZIDVBDYVERM-VIFPVBQESA-N -1 0 310.354 -0.085 20 0 DBADRM Cc1ccc(O)c(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c1 ZINC001609427143 1019459427 /nfs/dbraw/zinc/45/94/27/1019459427.db2.gz OIOWWQWBFYGJFV-UHFFFAOYSA-N -1 0 314.309 -0.098 20 0 DBADRM Cc1nn(CC[C@@H]2CCOC2=O)c(=O)c(-c2nnn[n-]2)c1C ZINC001609459403 1019462364 /nfs/dbraw/zinc/46/23/64/1019462364.db2.gz FOHPJIUBOHJXCB-SECBINFHSA-N -1 0 304.310 -0.007 20 0 DBADRM Cc1nc(CNS(=O)(=O)c2cccnc2-c2nnn[n-]2)no1 ZINC001609450255 1019463088 /nfs/dbraw/zinc/46/30/88/1019463088.db2.gz HAFUTRAOTPKBNW-UHFFFAOYSA-N -1 0 322.310 -0.568 20 0 DBADRM Cc1ncccc1CC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609456930 1019465658 /nfs/dbraw/zinc/46/56/58/1019465658.db2.gz ODSYVDAZYQVWQR-UHFFFAOYSA-N -1 0 313.325 -0.479 20 0 DBADRM Cc1nn(C)c(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1C ZINC001609458989 1019465959 /nfs/dbraw/zinc/46/59/59/1019465959.db2.gz UKPYARUDKJNYBM-UHFFFAOYSA-N -1 0 302.302 -0.553 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CC2CCC(=O)CC2)c1=O ZINC001609477195 1019473392 /nfs/dbraw/zinc/47/33/92/1019473392.db2.gz FZFRXVRFJRYLNR-UHFFFAOYSA-N -1 0 304.310 -0.514 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CCCC2CCOCC2)c1=O ZINC001609477457 1019474823 /nfs/dbraw/zinc/47/48/23/1019474823.db2.gz YIEWPZUTDMDNBT-UHFFFAOYSA-N -1 0 320.353 -0.066 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CCC[C@H]2CCOC2)c1=O ZINC001609477299 1019475816 /nfs/dbraw/zinc/47/58/16/1019475816.db2.gz MJFDBEAYMYSWAH-VIFPVBQESA-N -1 0 306.326 -0.456 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCC(C)(F)F)n(C)c1=O ZINC001609476681 1019477649 /nfs/dbraw/zinc/47/76/49/1019477649.db2.gz QIJYOXKVTHOQNQ-UHFFFAOYSA-N -1 0 315.284 -0.279 20 0 DBADRM NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC001609504244 1019493761 /nfs/dbraw/zinc/49/37/61/1019493761.db2.gz IUDRUODAHKPVGW-UHFFFAOYSA-N -1 0 304.314 -0.067 20 0 DBADRM O=C(COc1ccc(F)nc1-c1nnn[n-]1)NC(=O)NC1CC1 ZINC001609531641 1019500599 /nfs/dbraw/zinc/50/05/99/1019500599.db2.gz UCPXVWRKYOTXQS-UHFFFAOYSA-N -1 0 321.272 -0.232 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N(CCCCO)C1CC1 ZINC001609537344 1019502739 /nfs/dbraw/zinc/50/27/39/1019502739.db2.gz KMMYHYWQNJUVEI-UHFFFAOYSA-N -1 0 306.330 -0.778 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccn2ccnc2c1 ZINC001609537952 1019505180 /nfs/dbraw/zinc/50/51/80/1019505180.db2.gz FOVBHILOQALTQJ-UHFFFAOYSA-N -1 0 310.281 -0.255 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1nncn1C1CC1 ZINC001609537977 1019505939 /nfs/dbraw/zinc/50/59/39/1019505939.db2.gz HLRSRKRRVSFJMM-UHFFFAOYSA-N -1 0 301.274 -0.977 20 0 DBADRM O=C(Cc1cccc(F)c1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609536870 1019506566 /nfs/dbraw/zinc/50/65/66/1019506566.db2.gz YLQBFNQQNWXLDN-UHFFFAOYSA-N -1 0 316.300 -0.044 20 0 DBADRM O=C(CNc1ccnc(-c2nnn[n-]2)n1)NCC(F)(F)F ZINC001609528693 1019507457 /nfs/dbraw/zinc/50/74/57/1019507457.db2.gz LRAROCOCPBREHW-UHFFFAOYSA-N -1 0 302.220 -0.831 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)C(F)(F)C(F)F ZINC001609551766 1019509161 /nfs/dbraw/zinc/50/91/61/1019509161.db2.gz JKNHPTVEEYWDIU-UHFFFAOYSA-N -1 0 308.199 -0.525 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001609551390 1019511803 /nfs/dbraw/zinc/51/18/03/1019511803.db2.gz CCEPOIYAGPWJRP-BRPSZJMVSA-N -1 0 303.330 -0.444 20 0 DBADRM O=C(NC[C@]1(O)CCOC1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609545111 1019512475 /nfs/dbraw/zinc/51/24/75/1019512475.db2.gz JAEMJTAXUFGGNE-CYBMUJFWSA-N -1 0 305.294 -0.547 20 0 DBADRM O=C([N-]S(=O)(=O)Cc1ccon1)c1ccc(-c2nn[nH]n2)o1 ZINC001609560639 1019513654 /nfs/dbraw/zinc/51/36/54/1019513654.db2.gz ZOMKRFCTIRRCAP-UHFFFAOYSA-N -1 0 324.278 -0.293 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1ccnc(-c2nn[nH]n2)c1 ZINC001609559702 1019515048 /nfs/dbraw/zinc/51/50/48/1019515048.db2.gz AFPHKELCNQRCKS-MRVPVSSYSA-N -1 0 324.322 -0.890 20 0 DBADRM CC(=O)N1CC(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001609583899 1019516851 /nfs/dbraw/zinc/51/68/51/1019516851.db2.gz GHOOHIHKPSZOLC-UHFFFAOYSA-N -1 0 312.322 -0.669 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CC(=O)N(C2CC2)C1 ZINC001609581203 1019519288 /nfs/dbraw/zinc/51/92/88/1019519288.db2.gz UDZKFFZVZBBNPQ-UHFFFAOYSA-N -1 0 314.305 -0.023 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CCC1 ZINC001609571425 1019520480 /nfs/dbraw/zinc/52/04/80/1019520480.db2.gz HBJIKUSNINAEAJ-UHFFFAOYSA-N -1 0 313.295 -0.255 20 0 DBADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001609572431 1019520520 /nfs/dbraw/zinc/52/05/20/1019520520.db2.gz XIQQJMSIMJEQHZ-VIFPVBQESA-N -1 0 309.307 -0.286 20 0 DBADRM O=Cc1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)cs1 ZINC001609591721 1019525679 /nfs/dbraw/zinc/52/56/79/1019525679.db2.gz UWZIRKYGIDQPNP-UHFFFAOYSA-N -1 0 318.322 -0.238 20 0 DBADRM O=S(=O)([N-]N=c1nccc[nH]1)c1ccc(-c2nn[nH]n2)o1 ZINC001609595451 1019529041 /nfs/dbraw/zinc/52/90/41/1019529041.db2.gz AXIRULHCNHYDQV-UHFFFAOYSA-N -1 0 308.283 -0.445 20 0 DBADRM O=c1c(NCCn2cnc(-c3nnn[n-]3)n2)nccn1C(F)F ZINC001609604939 1019530811 /nfs/dbraw/zinc/53/08/11/1019530811.db2.gz YMMLDGGZEVBARD-UHFFFAOYSA-N -1 0 324.255 -0.478 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC001609621894 1019535838 /nfs/dbraw/zinc/53/58/38/1019535838.db2.gz KEKMXRUSZAZZJX-QWRGUYRKSA-N -1 0 313.354 -0.612 20 0 DBADRM CC(=O)NC[C@@H]1CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CCO1 ZINC001609621462 1019536708 /nfs/dbraw/zinc/53/67/08/1019536708.db2.gz IZMGGKOZORFLHV-YPMHNXCESA-N -1 0 315.370 -0.951 20 0 DBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC(=O)N(C)[C@H](C)C1 ZINC001609632549 1019539245 /nfs/dbraw/zinc/53/92/45/1019539245.db2.gz VDZBWRPSAVPZIH-MNOVXSKESA-N -1 0 311.382 -0.139 20 0 DBADRM CC(=O)c1cn(CC(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)nn1 ZINC001609630345 1019539445 /nfs/dbraw/zinc/53/94/45/1019539445.db2.gz BLHAVBALKZCGLQ-JTQLQIEISA-N -1 0 323.353 -0.512 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC001609635048 1019539652 /nfs/dbraw/zinc/53/96/52/1019539652.db2.gz OWEDKIDELRHMOQ-MNOVXSKESA-N -1 0 321.381 -0.007 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@H](NC(=O)N(C)C)C1 ZINC001609634294 1019539826 /nfs/dbraw/zinc/53/98/26/1019539826.db2.gz BVCGVGMYUNSWFQ-ZJUUUORDSA-N -1 0 300.359 -0.689 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCCO1)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001609636060 1019542492 /nfs/dbraw/zinc/54/24/92/1019542492.db2.gz KAPJWIYJVCTSMU-QCNOEVLYSA-N -1 0 300.355 -0.156 20 0 DBADRM C[C@H]([C@@H](C)N1CCOCC1)N1C(=O)N[C@H](CCC(=O)[O-])C1=O ZINC001609646765 1019542922 /nfs/dbraw/zinc/54/29/22/1019542922.db2.gz CEBXNUOPMFJYRI-GMTAPVOTSA-N -1 0 313.354 -0.119 20 0 DBADRM CC(C)(C)OC(=O)N1CC(C)(C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC001609659984 1019543954 /nfs/dbraw/zinc/54/39/54/1019543954.db2.gz SYIABXSAZYQTHD-QMMMGPOBSA-N -1 0 302.327 -0.195 20 0 DBADRM CC(=O)NCCN(C(=O)C[C@@H]1CCCC(=O)N1)[C@@H](C)C(=O)[O-] ZINC001609673549 1019544025 /nfs/dbraw/zinc/54/40/25/1019544025.db2.gz GFPGZMMOUGNCIX-ONGXEEELSA-N -1 0 313.354 -0.517 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CN1CC[C@](F)(C(=O)[O-])C1 ZINC001609657864 1019545556 /nfs/dbraw/zinc/54/55/56/1019545556.db2.gz KWVJTDXROFMTDV-CYBMUJFWSA-N -1 0 303.334 -0.484 20 0 DBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)N(C)CC(=O)[O-])c2C1 ZINC001609663062 1019545430 /nfs/dbraw/zinc/54/54/30/1019545430.db2.gz ULZMVJRJJUZXJH-JTQLQIEISA-N -1 0 308.338 -0.262 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](CF)C(=O)[O-] ZINC001609665573 1019545692 /nfs/dbraw/zinc/54/56/92/1019545692.db2.gz NFSPKDSJFRKLFV-ZETCQYMHSA-N -1 0 321.305 -0.834 20 0 DBADRM CC(C)C[C@H](NC(=O)CNS(=O)(=O)N(C)C1CC1)C(=O)[O-] ZINC001609702609 1019549801 /nfs/dbraw/zinc/54/98/01/1019549801.db2.gz XGGMZWUTZMOSKB-JTQLQIEISA-N -1 0 321.399 -0.470 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCN2C(=O)N=NC2C1)C(=O)[O-] ZINC001609693837 1019546465 /nfs/dbraw/zinc/54/64/65/1019546465.db2.gz FTQUXJKFZNDCCH-SECBINFHSA-N -1 0 311.342 -0.585 20 0 DBADRM CC(C)(NC[C@H](O)CN1CCOCC1)c1nocc1C(=O)[O-] ZINC001609680357 1019547141 /nfs/dbraw/zinc/54/71/41/1019547141.db2.gz JVESSFQUPYWROM-JTQLQIEISA-N -1 0 313.354 -0.109 20 0 DBADRM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CC(=O)NCC(=O)[O-])C1 ZINC001609676172 1019547290 /nfs/dbraw/zinc/54/72/90/1019547290.db2.gz WULDABODRZSYIX-SNVBAGLBSA-N -1 0 323.353 -0.252 20 0 DBADRM CC(C)[C@@H](CO)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001609684918 1019547657 /nfs/dbraw/zinc/54/76/57/1019547657.db2.gz GMXLHRFIGMUVFG-MRVPVSSYSA-N -1 0 312.326 -0.563 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@@H](C)O[C@@H](CO)C1)C(=O)[O-] ZINC001609693615 1019548532 /nfs/dbraw/zinc/54/85/32/1019548532.db2.gz WLZGUNAIKINCMC-UTUOFQBUSA-N -1 0 302.371 -0.317 20 0 DBADRM CC(C)(O)C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC001609681076 1019548062 /nfs/dbraw/zinc/54/80/62/1019548062.db2.gz JLWDUTUVGHESPW-UHFFFAOYSA-N -1 0 316.335 -0.241 20 0 DBADRM CC(C)(CNS(=O)(=O)c1csnc1C(=O)[O-])OCCO ZINC001609676586 1019548241 /nfs/dbraw/zinc/54/82/41/1019548241.db2.gz VAUFPAHSQUGNJH-UHFFFAOYSA-N -1 0 324.380 -0.093 20 0 DBADRM CC(C)(O)CCNC(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001609681578 1019548675 /nfs/dbraw/zinc/54/86/75/1019548675.db2.gz YJSJPEHSLNHCNA-UHFFFAOYSA-N -1 0 300.355 -0.023 20 0 DBADRM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NC[C@H](O)C(=O)[O-] ZINC001609686654 1019548935 /nfs/dbraw/zinc/54/89/35/1019548935.db2.gz PLFCVOMNFYCSQL-WDEREUQCSA-N -1 0 309.322 -0.602 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)OCC(=O)NC(=O)NCC(F)(F)F ZINC001609706437 1019551495 /nfs/dbraw/zinc/55/14/95/1019551495.db2.gz SXRUCJQIMNHHMS-SCSAIBSYSA-N -1 0 300.189 -0.362 20 0 DBADRM CC(C)OCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccn(C)n1 ZINC001609710877 1019552043 /nfs/dbraw/zinc/55/20/43/1019552043.db2.gz FKFBNAFBYJKLPL-JTQLQIEISA-N -1 0 305.356 -0.110 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@]1(C)CCC(=O)NC1)C(=O)[O-] ZINC001609716307 1019553408 /nfs/dbraw/zinc/55/34/08/1019553408.db2.gz CVQCSQRPQNVSST-SMDDNHRTSA-N -1 0 314.338 -0.329 20 0 DBADRM CC(C)[C@H](NC(=O)CON=C(N)CN1CCOCC1)C(=O)[O-] ZINC001609717661 1019554228 /nfs/dbraw/zinc/55/42/28/1019554228.db2.gz YIWDDZPYFAILFG-LBPRGKRZSA-N -1 0 316.358 -0.958 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cn1 ZINC001609723940 1019554666 /nfs/dbraw/zinc/55/46/66/1019554666.db2.gz DSNQHXRIPIHTQB-ZJUUUORDSA-N -1 0 317.367 -0.080 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCS(=O)(=O)C[C@@H]1C)C(=O)[O-] ZINC001609716392 1019555316 /nfs/dbraw/zinc/55/53/16/1019555316.db2.gz HCCIXHJVJMURKO-ONGXEEELSA-N -1 0 306.384 -0.669 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)CN1CC(=O)NC1=O)c1ccncc1 ZINC001609728888 1019555862 /nfs/dbraw/zinc/55/58/62/1019555862.db2.gz QWVURMQNXBDACF-CQSZACIVSA-N -1 0 320.305 -0.561 20 0 DBADRM CC(C)c1noc(CCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC001609722936 1019556239 /nfs/dbraw/zinc/55/62/39/1019556239.db2.gz PTBGMZTXYCJBKQ-VIFPVBQESA-N -1 0 324.337 -0.073 20 0 DBADRM CC(CO)(CO)NC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001609746661 1019559188 /nfs/dbraw/zinc/55/91/88/1019559188.db2.gz MBQAUFYCASAMMA-UHFFFAOYSA-N -1 0 324.333 -0.498 20 0 DBADRM C[C@H](NC(=O)COC(=O)C12CC(C(=O)[O-])(C1)C2)C(=O)N(C)C ZINC001609764107 1019560674 /nfs/dbraw/zinc/56/06/74/1019560674.db2.gz PGBYFRBQIDNQHP-AHOQVSSZSA-N -1 0 312.322 -0.623 20 0 DBADRM O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575412613 1019561145 /nfs/dbraw/zinc/56/11/45/1019561145.db2.gz JWEDYPRTLRNYPP-XHNCKOQMSA-N -1 0 321.337 -0.435 20 0 DBADRM C[C@](O)(CNC(=O)Cn1c(=O)cnc2ccccc21)C(=O)[O-] ZINC001609784778 1019561801 /nfs/dbraw/zinc/56/18/01/1019561801.db2.gz NYPDBWVLIUEWEZ-AWEZNQCLSA-N -1 0 305.290 -0.652 20 0 DBADRM C[C@@](O)(CN1CCN(C(=O)c2ccccc2O)CC1)C(=O)[O-] ZINC001609783810 1019561880 /nfs/dbraw/zinc/56/18/80/1019561880.db2.gz FXVXOEQNKMOCIL-OAHLLOKOSA-N -1 0 308.334 -0.014 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ncnn1C ZINC001609757845 1019562337 /nfs/dbraw/zinc/56/23/37/1019562337.db2.gz MPBKYYUASQROJX-ZETCQYMHSA-N -1 0 320.309 -0.332 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001609771818 1019562878 /nfs/dbraw/zinc/56/28/78/1019562878.db2.gz PHFGRAMUVPJYKT-SCZZXKLOSA-N -1 0 323.305 -0.800 20 0 DBADRM C[C@H](NC(=O)COC(=O)c1occc1C(=O)[O-])C(=O)N(C)C ZINC001609764920 1019562901 /nfs/dbraw/zinc/56/29/01/1019562901.db2.gz WCYQUUVBPQZKCS-ZETCQYMHSA-N -1 0 312.278 -0.273 20 0 DBADRM C[C@@H](OC(=O)[C@@H](C)N1C(=O)CCC1=O)c1cn(CC(=O)[O-])nn1 ZINC001609788818 1019563888 /nfs/dbraw/zinc/56/38/88/1019563888.db2.gz FCUZGNSEHAFYJI-HTQZYQBOSA-N -1 0 324.293 -0.496 20 0 DBADRM C[C@H](OC(=O)C1(S(C)(=O)=O)CC1)c1cn(CC(=O)[O-])nn1 ZINC001609790287 1019564151 /nfs/dbraw/zinc/56/41/51/1019564151.db2.gz PSIHJFRLEZEAMS-ZETCQYMHSA-N -1 0 317.323 -0.456 20 0 DBADRM C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001609788878 1019564653 /nfs/dbraw/zinc/56/46/53/1019564653.db2.gz LVCDRKPQHHFARO-KOLCDFICSA-N -1 0 317.367 -0.108 20 0 DBADRM CC(C)[C@H](C(=O)O[C@H](C)C(=O)C(=O)[O-])N1CCCS1(=O)=O ZINC001609790499 1019564949 /nfs/dbraw/zinc/56/49/49/1019564949.db2.gz GXRBZTMUOWXNFF-RKDXNWHRSA-N -1 0 321.351 -0.368 20 0 DBADRM C[C@@H](O)CN1CCN(S(=O)(=O)CCCC(=O)[O-])[C@H](C)C1 ZINC001609790161 1019565086 /nfs/dbraw/zinc/56/50/86/1019565086.db2.gz CRHUCVDZULNZCS-GHMZBOCLSA-N -1 0 308.400 -0.432 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001609788786 1019566081 /nfs/dbraw/zinc/56/60/81/1019566081.db2.gz YNSFWCHGBZAPHG-QMMMGPOBSA-N -1 0 321.326 -0.112 20 0 DBADRM C[C@H](O)CC(C)(C)CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001609787866 1019566253 /nfs/dbraw/zinc/56/62/53/1019566253.db2.gz LNROGACMUIVIAD-UWVGGRQHSA-N -1 0 316.354 -0.788 20 0 DBADRM C[C@H](OC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)NCC(=O)[O-] ZINC001609793238 1019566926 /nfs/dbraw/zinc/56/69/26/1019566926.db2.gz LYIXHJMISCNENR-BFARCFIYSA-N -1 0 313.306 -0.639 20 0 DBADRM C[C@@H](OC(=O)Cn1cc([C@H](C)O)nn1)C(=O)C(C)(C)C(=O)[O-] ZINC001609798902 1019567152 /nfs/dbraw/zinc/56/71/52/1019567152.db2.gz LHJXODMCZGGCPF-JGVFFNPUSA-N -1 0 313.310 -0.057 20 0 DBADRM C[C@@H](OC(=O)CCS(C)(=O)=O)c1cn(CC(=O)[O-])nn1 ZINC001609794605 1019567322 /nfs/dbraw/zinc/56/73/22/1019567322.db2.gz PPBBZJGQZRMIIB-SSDOTTSWSA-N -1 0 305.312 -0.598 20 0 DBADRM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)c1cnn(C)c1 ZINC001575417956 1019568000 /nfs/dbraw/zinc/56/80/00/1019568000.db2.gz NPOUQLROYGMLKX-ZCFIWIBFSA-N -1 0 317.313 -0.427 20 0 DBADRM C[C@@H](OC(=O)c1cnc2n[nH]nc2c1)c1cn(CC(=O)[O-])nn1 ZINC001609799729 1019568573 /nfs/dbraw/zinc/56/85/73/1019568573.db2.gz KCDIPPHHBVAXEG-ZCFIWIBFSA-N -1 0 317.265 -0.053 20 0 DBADRM C[C@H](OC(=O)CNC(=O)c1ccsc1)C(=O)NCC(=O)[O-] ZINC001609794376 1019568893 /nfs/dbraw/zinc/56/88/93/1019568893.db2.gz OBVSMPKKHMLLSJ-ZETCQYMHSA-N -1 0 314.319 -0.390 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001609801733 1019568937 /nfs/dbraw/zinc/56/89/37/1019568937.db2.gz JYMNROQHNICHOE-GARJFASQSA-N -1 0 314.338 -0.628 20 0 DBADRM CC1(C)C[C@H]1CNC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001609815497 1019570534 /nfs/dbraw/zinc/57/05/34/1019570534.db2.gz VJFGJTMAUHVKHB-QWRGUYRKSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC[C@H](CO)C2)C1 ZINC001609812809 1019571316 /nfs/dbraw/zinc/57/13/16/1019571316.db2.gz ACZFNRZTRVTTTC-NHYWBVRUSA-N -1 0 312.366 -0.069 20 0 DBADRM C[C@@]1(NS(=O)(=O)c2cncc(C(=O)[O-])c2)CCOC1=O ZINC001609824742 1019573202 /nfs/dbraw/zinc/57/32/02/1019573202.db2.gz GTGWGOYYPZDVRQ-LLVKDONJSA-N -1 0 300.292 -0.236 20 0 DBADRM CC1(C)CCC[C@@H]1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001609818726 1019573571 /nfs/dbraw/zinc/57/35/71/1019573571.db2.gz XCTVHJOFYHVZCZ-VWYCJHECSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1C(=O)NCCN1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001609829638 1019574277 /nfs/dbraw/zinc/57/42/77/1019574277.db2.gz DDDFTDSVZZWXDS-SSDOTTSWSA-N -1 0 312.351 -0.471 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C1(S(C)(=O)=O)CCOCC1 ZINC001609831420 1019574652 /nfs/dbraw/zinc/57/46/52/1019574652.db2.gz BXGHRICIDNYKLW-ZJUUUORDSA-N -1 0 319.379 -0.098 20 0 DBADRM CC1(C)SC[C@@H]1NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001609819591 1019575164 /nfs/dbraw/zinc/57/51/64/1019575164.db2.gz LBGGTXOWXILNDT-CIUDSAMLSA-N -1 0 316.379 -0.709 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001609832283 1019575969 /nfs/dbraw/zinc/57/59/69/1019575969.db2.gz LRZFXNNVGAOZFT-WCBMZHEXSA-N -1 0 319.383 -0.618 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(F)(F)C(=O)N1CCOCC1 ZINC001609831914 1019576375 /nfs/dbraw/zinc/57/63/75/1019576375.db2.gz CRTHLDYFGOMPSS-RKDXNWHRSA-N -1 0 320.292 -0.198 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001609832278 1019577261 /nfs/dbraw/zinc/57/72/61/1019577261.db2.gz LRZFXNNVGAOZFT-SCZZXKLOSA-N -1 0 319.383 -0.618 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCc1ccc(C(N)=O)o1 ZINC001609837988 1019577617 /nfs/dbraw/zinc/57/76/17/1019577617.db2.gz XCZCBYFAPZQXIR-VXNVDRBHSA-N -1 0 323.305 -0.684 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCCO1 ZINC001609864257 1019580267 /nfs/dbraw/zinc/58/02/67/1019580267.db2.gz ZFCVJISGHXUBRI-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CCCO1 ZINC001609862455 1019580729 /nfs/dbraw/zinc/58/07/29/1019580729.db2.gz IDTXKKGKHLQEMZ-QMMMGPOBSA-N -1 0 310.310 -0.306 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCCO1 ZINC001609864259 1019583587 /nfs/dbraw/zinc/58/35/87/1019583587.db2.gz ZFCVJISGHXUBRI-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1cccc2c1CNC2=O ZINC001609865278 1019583700 /nfs/dbraw/zinc/58/37/00/1019583700.db2.gz UXEJBPPMINSZNM-SSDOTTSWSA-N -1 0 305.290 -0.152 20 0 DBADRM C[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C[C@H](CO)O1 ZINC001609874240 1019584333 /nfs/dbraw/zinc/58/43/33/1019584333.db2.gz JXTWSAJKHKZLGT-VHSXEESVSA-N -1 0 307.368 -0.347 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001609886357 1019586056 /nfs/dbraw/zinc/58/60/56/1019586056.db2.gz JRDVMIRVQYDCTB-JTQLQIEISA-N -1 0 315.351 -0.413 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C[C@H](CO)O1 ZINC001609874645 1019586123 /nfs/dbraw/zinc/58/61/23/1019586123.db2.gz NIDARLBSFCPURU-DTWKUNHWSA-N -1 0 316.335 -0.450 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001609876848 1019586801 /nfs/dbraw/zinc/58/68/01/1019586801.db2.gz PIKCKMBQWVVLGR-IJLUTSLNSA-N -1 0 315.370 -0.816 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)Nc1cc(N(C)C)ncn1)C(=O)[O-] ZINC001609887391 1019588467 /nfs/dbraw/zinc/58/84/67/1019588467.db2.gz HWEKWSSAVTVHNQ-QMMMGPOBSA-N -1 0 309.326 -0.340 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN[C@@H](CO)c1cnn(C)c1)C(=O)[O-] ZINC001609899675 1019588823 /nfs/dbraw/zinc/58/88/23/1019588823.db2.gz MIGITCREPHEYKC-GAFUQQFSSA-N -1 0 312.370 -0.341 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)Nc1ccc(CC(N)=O)cc1)C(=O)[O-] ZINC001609887762 1019589738 /nfs/dbraw/zinc/58/97/38/1019589738.db2.gz UUWZTIPUJSMFND-SECBINFHSA-N -1 0 321.333 -0.168 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C(=O)NCc1ccco1 ZINC001609913822 1019589864 /nfs/dbraw/zinc/58/98/64/1019589864.db2.gz AGXFXXHEJXUCFF-XCBNKYQSSA-N -1 0 309.278 -0.370 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)CN1[C@@H](C)C(=O)N(C)S1(=O)=O ZINC001609914890 1019590430 /nfs/dbraw/zinc/59/04/30/1019590430.db2.gz XVTCXXKGPKNBMX-QMMMGPOBSA-N -1 0 320.367 -0.146 20 0 DBADRM CC[C@H](CNC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1)C(=O)[O-] ZINC001609918669 1019590736 /nfs/dbraw/zinc/59/07/36/1019590736.db2.gz LRVCRHUUIOYVFP-SECBINFHSA-N -1 0 309.322 -0.141 20 0 DBADRM CC[C@](C)(CC(=O)[O-])NC(=O)Cn1ncn2nccc2c1=O ZINC001609895786 1019590806 /nfs/dbraw/zinc/59/08/06/1019590806.db2.gz QRKQQLNJAORSRG-CYBMUJFWSA-N -1 0 307.310 -0.349 20 0 DBADRM CC[C@@H](NC(=O)c1cc(C(=O)[O-])on1)C(=O)N1CCOCC1 ZINC001609929028 1019592595 /nfs/dbraw/zinc/59/25/95/1019592595.db2.gz NGZDVURVKKFCFZ-MRVPVSSYSA-N -1 0 311.294 -0.260 20 0 DBADRM C[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(=O)NCC(F)(F)F ZINC001609921571 1019593334 /nfs/dbraw/zinc/59/33/34/1019593334.db2.gz QTVSBRRHEPBQPF-RXMQYKEDSA-N -1 0 320.227 -0.028 20 0 DBADRM CC[C@H](CNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001609922798 1019594054 /nfs/dbraw/zinc/59/40/54/1019594054.db2.gz ZUIKETAOMDVBIL-NXEZZACHSA-N -1 0 306.384 -0.668 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CCO1 ZINC001609946817 1019593858 /nfs/dbraw/zinc/59/38/58/1019593858.db2.gz NDNQCZBRMAYPAB-QMMMGPOBSA-N -1 0 310.310 -0.306 20 0 DBADRM CC[C@]1(CO)CCCN1C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001609945650 1019593987 /nfs/dbraw/zinc/59/39/87/1019593987.db2.gz WAURANSKWITELJ-CQSZACIVSA-N -1 0 324.337 -0.180 20 0 DBADRM C[C@H](O)c1cn(C2CN(C(=O)c3cnc(C(=O)[O-])cn3)C2)nn1 ZINC001609972292 1019594590 /nfs/dbraw/zinc/59/45/90/1019594590.db2.gz JYJUJQGZQDANNX-ZETCQYMHSA-N -1 0 318.293 -0.483 20 0 DBADRM CCCNC(=O)CCC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001609978331 1019594723 /nfs/dbraw/zinc/59/47/23/1019594723.db2.gz PVUZQJXXIOZEQA-ZDUSSCGKSA-N -1 0 300.355 -0.023 20 0 DBADRM CCCN(C(=O)c1cc(C(=O)[O-])no1)[C@@H]1CC(=O)N(C)C1=O ZINC001609973830 1019595254 /nfs/dbraw/zinc/59/52/54/1019595254.db2.gz RPFALEJOFCQMHE-MRVPVSSYSA-N -1 0 309.278 -0.018 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001609972106 1019595819 /nfs/dbraw/zinc/59/58/19/1019595819.db2.gz ATENYPIDLHRCES-HRDYMLBCSA-N -1 0 321.351 -0.716 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC001609973614 1019595845 /nfs/dbraw/zinc/59/58/45/1019595845.db2.gz ZXPAWAKLPTWVFD-SDDRHHMPSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@](O)(CNC(=O)c1ncc(C(N)=O)cc1Cl)C(=O)[O-] ZINC001609973562 1019595898 /nfs/dbraw/zinc/59/58/98/1019595898.db2.gz YKABFRYAILLBJW-LLVKDONJSA-N -1 0 301.686 -0.601 20 0 DBADRM CC[C@@H]1CCN(C(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC001609953024 1019596349 /nfs/dbraw/zinc/59/63/49/1019596349.db2.gz XCNQMDCDPZXINJ-PWSUYJOCSA-N -1 0 312.366 -0.071 20 0 DBADRM CCCN(CN1C[C@@H](C(=O)[O-])OC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001609978262 1019596897 /nfs/dbraw/zinc/59/68/97/1019596897.db2.gz VRPJPPWXOOMWBU-ZJUUUORDSA-N -1 0 320.367 -0.252 20 0 DBADRM CCN(C)C(=O)CNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001609989153 1019597642 /nfs/dbraw/zinc/59/76/42/1019597642.db2.gz AGOMTWJNAGHEPB-IINYFYTJSA-N -1 0 313.354 -0.403 20 0 DBADRM CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001609996554 1019598062 /nfs/dbraw/zinc/59/80/62/1019598062.db2.gz YRPWCYPXWWVRTC-UHFFFAOYSA-N -1 0 315.351 -0.121 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001609997747 1019598524 /nfs/dbraw/zinc/59/85/24/1019598524.db2.gz GFEIKTZNLMZILW-LBPRGKRZSA-N -1 0 322.383 -0.592 20 0 DBADRM CCCc1c(C(=O)NC[C@@H](O)C(=O)NC)[nH]c(C)c1C(=O)[O-] ZINC001609986220 1019599208 /nfs/dbraw/zinc/59/92/08/1019599208.db2.gz QWYGNPAIRNDHLX-SECBINFHSA-N -1 0 311.338 -0.189 20 0 DBADRM CCN([C@H]1CCNC1=O)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001609994707 1019599539 /nfs/dbraw/zinc/59/95/39/1019599539.db2.gz FCQYEQZLYQUDKQ-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC001610035535 1019609294 /nfs/dbraw/zinc/60/92/94/1019609294.db2.gz RFJUKLWOLIMSTO-NXEZZACHSA-N -1 0 303.359 -0.999 20 0 DBADRM CCOC(=O)[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1CC1 ZINC001610011706 1019601528 /nfs/dbraw/zinc/60/15/28/1019601528.db2.gz BKSYITXXFHFJCD-JTQLQIEISA-N -1 0 308.356 -0.431 20 0 DBADRM CCN1CCO[C@H](C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)C1 ZINC001610007630 1019602416 /nfs/dbraw/zinc/60/24/16/1019602416.db2.gz BDMPDENXNWJSRP-JQWIXIFHSA-N -1 0 316.354 -0.524 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1 ZINC001610006611 1019602489 /nfs/dbraw/zinc/60/24/89/1019602489.db2.gz AEKFZHNKJUPLMA-GFCCVEGCSA-N -1 0 323.393 -0.136 20 0 DBADRM CC[NH+]1CCN(CCNS(=O)(=O)CCCC(=O)[O-])CC1 ZINC001610009225 1019602927 /nfs/dbraw/zinc/60/29/27/1019602927.db2.gz OIYMITIOPRVPGA-UHFFFAOYSA-N -1 0 307.416 -0.592 20 0 DBADRM CCN1CCO[C@@H](C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)C1 ZINC001610007631 1019603104 /nfs/dbraw/zinc/60/31/04/1019603104.db2.gz BDMPDENXNWJSRP-PWSUYJOCSA-N -1 0 316.354 -0.524 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)c2cc(C(=O)[O-])on2)CC1 ZINC001610010037 1019603145 /nfs/dbraw/zinc/60/31/45/1019603145.db2.gz ZOHDKCWAUJFKJJ-UHFFFAOYSA-N -1 0 324.337 -0.343 20 0 DBADRM CCOC(=O)NCCCC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001610019263 1019605704 /nfs/dbraw/zinc/60/57/04/1019605704.db2.gz OAGYPENZFAASJI-GXSJLCMTSA-N -1 0 302.327 -0.051 20 0 DBADRM CCOCCCCNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001610032556 1019606123 /nfs/dbraw/zinc/60/61/23/1019606123.db2.gz HTPVBQDUIOQHBF-UHFFFAOYSA-N -1 0 312.326 -0.010 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1cccc(C(=O)[O-])n1 ZINC001610015776 1019606170 /nfs/dbraw/zinc/60/61/70/1019606170.db2.gz GXTGHKNUIHCSAU-UHFFFAOYSA-N -1 0 309.278 -0.730 20 0 DBADRM CCOC(=O)[C@@H]1CSCCN1CC(=O)NCCC(=O)[O-] ZINC001610014482 1019606262 /nfs/dbraw/zinc/60/62/62/1019606262.db2.gz NJMOGTBVGKSKLT-VIFPVBQESA-N -1 0 304.368 -0.442 20 0 DBADRM C[C@H](CNC(=O)C[C@H]1CCC(=O)NC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001505934159 1019606464 /nfs/dbraw/zinc/60/64/64/1019606464.db2.gz XZTOURKKRPCQLC-NXEZZACHSA-N -1 0 324.385 -0.637 20 0 DBADRM CC[C@H](CO)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001610053300 1019608260 /nfs/dbraw/zinc/60/82/60/1019608260.db2.gz XUOUOBJNPBKRRL-SECBINFHSA-N -1 0 310.306 -0.024 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001610035543 1019608380 /nfs/dbraw/zinc/60/83/80/1019608380.db2.gz RFJUKLWOLIMSTO-UWVGGRQHSA-N -1 0 303.359 -0.999 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001610050090 1019608489 /nfs/dbraw/zinc/60/84/89/1019608489.db2.gz SUIIEICWFFLUHP-WDKLKTEZSA-N -1 0 304.368 -0.807 20 0 DBADRM CC1(C)CN(C(=O)c2cnc(C(=O)[O-])cn2)CCN1CCO ZINC001610047732 1019608690 /nfs/dbraw/zinc/60/86/90/1019608690.db2.gz QIKFGNFRRXUJEY-UHFFFAOYSA-N -1 0 308.338 -0.297 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001610049209 1019608949 /nfs/dbraw/zinc/60/89/49/1019608949.db2.gz KBRZGTNJCIJTCP-VIFPVBQESA-N -1 0 324.424 -0.120 20 0 DBADRM CCS(=O)(=O)NCC(=O)OCc1noc(CCC(=O)[O-])n1 ZINC001610048338 1019609114 /nfs/dbraw/zinc/60/91/14/1019609114.db2.gz NFXRXMOOANOHGB-UHFFFAOYSA-N -1 0 321.311 -0.931 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001610048155 1019609411 /nfs/dbraw/zinc/60/94/11/1019609411.db2.gz LURSNIMKSCSISH-ZCFIWIBFSA-N -1 0 321.380 -0.042 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)OC ZINC001610084043 1019610342 /nfs/dbraw/zinc/61/03/42/1019610342.db2.gz CDNJJQHIUYAUCU-MRVPVSSYSA-N -1 0 319.339 -0.412 20 0 DBADRM CCn1nc(C(=O)N2CC[C@@H](OC)C[C@@H]2C(=O)[O-])ccc1=O ZINC001610083752 1019610364 /nfs/dbraw/zinc/61/03/64/1019610364.db2.gz POOJZJCGKOTVCF-MWLCHTKSSA-N -1 0 309.322 -0.033 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N(CCO)C[C@H](C)O ZINC001610075948 1019611850 /nfs/dbraw/zinc/61/18/50/1019611850.db2.gz AZUSEIJJWGHJBP-QMMMGPOBSA-N -1 0 321.351 -0.096 20 0 DBADRM CCc1oc(C(=O)[O-])cc1CN1CCN(CC(N)=O)C(=O)C1 ZINC001610075553 1019611929 /nfs/dbraw/zinc/61/19/29/1019611929.db2.gz RFLLEPRHBZLGPB-UHFFFAOYSA-N -1 0 309.322 -0.330 20 0 DBADRM CCc1ccc(NC(=O)C(=O)N[C@H](CO)[C@@H](C)O)c(C(=O)[O-])c1 ZINC001610064146 1019612155 /nfs/dbraw/zinc/61/21/55/1019612155.db2.gz UIWHTPTYMGVTDP-PRHODGIISA-N -1 0 324.333 -0.256 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)n1 ZINC001610086226 1019612236 /nfs/dbraw/zinc/61/22/36/1019612236.db2.gz XJNUIZINCPFMFW-VHSXEESVSA-N -1 0 323.353 -0.456 20 0 DBADRM CN([C@@H](CO)C(C)(C)C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001610093569 1019613419 /nfs/dbraw/zinc/61/34/19/1019613419.db2.gz OBAVEHVHQYDUKT-JTQLQIEISA-N -1 0 319.383 -0.005 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNS(=O)(=O)CCCC(=O)[O-])O1 ZINC001610093584 1019614123 /nfs/dbraw/zinc/61/41/23/1019614123.db2.gz OLKREOGFXPCTSJ-ZJUUUORDSA-N -1 0 322.383 -0.594 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)OCC2(CC(=O)[O-])CC2)nn1 ZINC001610093770 1019614232 /nfs/dbraw/zinc/61/42/32/1019614232.db2.gz HTDLWYSMXXTTLQ-UHFFFAOYSA-N -1 0 310.310 -0.222 20 0 DBADRM CN(C)C(=O)CCCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001610094454 1019614683 /nfs/dbraw/zinc/61/46/83/1019614683.db2.gz IYSAMTCSUFVIQJ-JTQLQIEISA-N -1 0 313.354 -0.563 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)O1 ZINC001610093586 1019614754 /nfs/dbraw/zinc/61/47/54/1019614754.db2.gz ONMATVUTJKNDQZ-VLEAKVRGSA-N -1 0 313.354 -0.215 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001610094148 1019614797 /nfs/dbraw/zinc/61/47/97/1019614797.db2.gz IDXKJJUAVHUADU-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM CN(C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@@H]1CCNC1=O ZINC001610087817 1019615150 /nfs/dbraw/zinc/61/51/50/1019615150.db2.gz NBOIBLWQSGEIBO-SNVBAGLBSA-N -1 0 323.280 -0.191 20 0 DBADRM CN(C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1)[C@H]1CCNC1=O ZINC001610087831 1019615356 /nfs/dbraw/zinc/61/53/56/1019615356.db2.gz NZLQITLIWBOKSL-JTQLQIEISA-N -1 0 305.290 -0.330 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001610102765 1019616298 /nfs/dbraw/zinc/61/62/98/1019616298.db2.gz PDSQOOHZAZSCMW-UHFFFAOYSA-N -1 0 315.351 -0.489 20 0 DBADRM C[C@@H]1OCC[C@]12CN(CCS(=O)(=O)CC(=O)[O-])CCO2 ZINC001610100831 1019616320 /nfs/dbraw/zinc/61/63/20/1019616320.db2.gz LZJIWIDJQHJXQY-JQWIXIFHSA-N -1 0 307.368 -0.634 20 0 DBADRM CN1C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])nc2)CCC1=O ZINC001610133850 1019623262 /nfs/dbraw/zinc/62/32/62/1019623262.db2.gz MGKHLJPHKICJQS-MRVPVSSYSA-N -1 0 313.335 -0.321 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)CCC1=O ZINC001610133835 1019624142 /nfs/dbraw/zinc/62/41/42/1019624142.db2.gz LXBFESOKMYHPMZ-JTQLQIEISA-N -1 0 311.338 -0.953 20 0 DBADRM CN(C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)[C@H]1CCN(C)C1=O ZINC001610129811 1019624714 /nfs/dbraw/zinc/62/47/14/1019624714.db2.gz KBHFFRIKVSGKED-VIFPVBQESA-N -1 0 322.321 -0.649 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)CCC1=O ZINC001610133836 1019624724 /nfs/dbraw/zinc/62/47/24/1019624724.db2.gz LXBFESOKMYHPMZ-SNVBAGLBSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CCC1=O ZINC001610132478 1019624837 /nfs/dbraw/zinc/62/48/37/1019624837.db2.gz GBKCZBMOQOZWPQ-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1=O ZINC001610138097 1019627536 /nfs/dbraw/zinc/62/75/36/1019627536.db2.gz BNQCUEZBJGZVDY-UHFFFAOYSA-N -1 0 305.290 -0.490 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])C1=O ZINC001610135088 1019627903 /nfs/dbraw/zinc/62/79/03/1019627903.db2.gz WDYZBSAGCWFOEQ-KXUCPTDWSA-N -1 0 304.368 -0.220 20 0 DBADRM CNC(=O)[C@@H]1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CCO1 ZINC001610138269 1019628057 /nfs/dbraw/zinc/62/80/57/1019628057.db2.gz CCVHCTKUMRVDKX-VIFPVBQESA-N -1 0 320.367 -0.982 20 0 DBADRM CC[C@@H](C)[C@@H](C)C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001575548681 1019629083 /nfs/dbraw/zinc/62/90/83/1019629083.db2.gz JFNADOVRKXAJLX-RKDXNWHRSA-N -1 0 313.358 -0.396 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001610140354 1019629763 /nfs/dbraw/zinc/62/97/63/1019629763.db2.gz WCWWHKHTHRXGCE-UHFFFAOYSA-N -1 0 323.305 -0.668 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001610139957 1019631154 /nfs/dbraw/zinc/63/11/54/1019631154.db2.gz HFNNHPDWDIFVNF-UHFFFAOYSA-N -1 0 323.305 -0.659 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001610139854 1019631228 /nfs/dbraw/zinc/63/12/28/1019631228.db2.gz FWDUOBLXAYBYAW-UHFFFAOYSA-N -1 0 315.232 -0.536 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccn2)CCO1 ZINC001610139509 1019631240 /nfs/dbraw/zinc/63/12/40/1019631240.db2.gz QIXCGCPXHXOYJH-SECBINFHSA-N -1 0 308.294 -0.242 20 0 DBADRM CNC(=O)c1ccc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)cn1 ZINC001610143393 1019631334 /nfs/dbraw/zinc/63/13/34/1019631334.db2.gz WKNLFKHVSIFZTM-CQSZACIVSA-N -1 0 307.306 -0.195 20 0 DBADRM CNC(=O)C(C)(C)CN1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001610142089 1019631457 /nfs/dbraw/zinc/63/14/57/1019631457.db2.gz IGLTYIUEYJGDES-RKDXNWHRSA-N -1 0 311.338 -0.114 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC001610146116 1019633255 /nfs/dbraw/zinc/63/32/55/1019633255.db2.gz IJDMKFIRLBWYSP-QMMMGPOBSA-N -1 0 313.335 -0.457 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CCC(O)(C(=O)[O-])CC2)n1 ZINC001610145347 1019633469 /nfs/dbraw/zinc/63/34/69/1019633469.db2.gz UQOGKVPNWDJJDI-UHFFFAOYSA-N -1 0 307.306 -0.507 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCCCS1(=O)=O ZINC001610151823 1019633540 /nfs/dbraw/zinc/63/35/40/1019633540.db2.gz FTOYEGZNIRSLDH-YUMQZZPRSA-N -1 0 307.324 -0.914 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CF)C(=O)[O-])cn1 ZINC001610148466 1019633605 /nfs/dbraw/zinc/63/36/05/1019633605.db2.gz HOXGYRYLCXGAPK-ZETCQYMHSA-N -1 0 305.287 -0.858 20 0 DBADRM CN[C@H](C(=O)NCC1(C(=O)[O-])CCOCC1)c1cnn(C)c1 ZINC001610145503 1019633681 /nfs/dbraw/zinc/63/36/81/1019633681.db2.gz PWLJZQLNAAFVCN-NSHDSACASA-N -1 0 310.354 -0.322 20 0 DBADRM COC(=O)C(C)(C)N1CCN([C@@H](C)C(=O)NCC(=O)[O-])CC1 ZINC001610149998 1019633788 /nfs/dbraw/zinc/63/37/88/1019633788.db2.gz VRVPRDZHRQRBPI-JTQLQIEISA-N -1 0 315.370 -0.855 20 0 DBADRM CNc1nnc(CC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)s1 ZINC001610147457 1019633921 /nfs/dbraw/zinc/63/39/21/1019633921.db2.gz ASTUSPHKFYGGAU-UHFFFAOYSA-N -1 0 323.338 -0.505 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(c2nccnc2C(=O)[O-])C1 ZINC001610146369 1019634225 /nfs/dbraw/zinc/63/42/25/1019634225.db2.gz OTJNZVNGELRMFW-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCC(C)(C)C(=O)[O-])C1 ZINC001610145672 1019634251 /nfs/dbraw/zinc/63/42/51/1019634251.db2.gz CHAIHQPCDPNYAS-MRVPVSSYSA-N -1 0 307.372 -0.570 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001610146374 1019634539 /nfs/dbraw/zinc/63/45/39/1019634539.db2.gz ARUICDDURWGIKS-SECBINFHSA-N -1 0 315.351 -0.133 20 0 DBADRM COC(=O)[C@@H](NCCn1cc(C(=O)[O-])nn1)c1cccnc1 ZINC001610157885 1019635968 /nfs/dbraw/zinc/63/59/68/1019635968.db2.gz QUHNTTUTAQVNPB-NSHDSACASA-N -1 0 305.294 -0.125 20 0 DBADRM COC(=O)[C@]1(NCC(=O)N[C@H](CC(C)C)C(=O)[O-])CCOC1 ZINC001610155868 1019636050 /nfs/dbraw/zinc/63/60/50/1019636050.db2.gz BXOQAFOEXGRGRG-YGRLFVJLSA-N -1 0 316.354 -0.476 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCCC12OCCO2 ZINC001610153719 1019636211 /nfs/dbraw/zinc/63/62/11/1019636211.db2.gz TZMYWOWGQSQBHP-DTWKUNHWSA-N -1 0 301.295 -0.338 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CN1CCCCCCC1=O ZINC001610154599 1019636255 /nfs/dbraw/zinc/63/62/55/1019636255.db2.gz YTFSQAYLCNGNBR-JTQLQIEISA-N -1 0 314.338 -0.088 20 0 DBADRM COC(=O)[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)c1ccn(C)n1 ZINC001610154273 1019636641 /nfs/dbraw/zinc/63/66/41/1019636641.db2.gz MSBJTJWKLOLQLI-SNVBAGLBSA-N -1 0 319.277 -0.448 20 0 DBADRM COC(=O)C1(NC(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC001610156800 1019637331 /nfs/dbraw/zinc/63/73/31/1019637331.db2.gz RVVPHSTUWMVIJX-UHFFFAOYSA-N -1 0 309.278 -0.516 20 0 DBADRM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001610173581 1019639265 /nfs/dbraw/zinc/63/92/65/1019639265.db2.gz OJPSJWRPIFVCII-PTRXPTGYSA-N -1 0 322.321 -0.224 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)CCCC(=O)[O-] ZINC001610166834 1019639647 /nfs/dbraw/zinc/63/96/47/1019639647.db2.gz PKVPIZFACJFHKZ-UWVGGRQHSA-N -1 0 323.367 -0.167 20 0 DBADRM COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)CCCC(=O)[O-] ZINC001610166833 1019640133 /nfs/dbraw/zinc/64/01/33/1019640133.db2.gz PKVPIZFACJFHKZ-NXEZZACHSA-N -1 0 323.367 -0.167 20 0 DBADRM COC(=O)C[C@]1(NS(=O)(=O)C[C@@H](C)C(=O)[O-])CCOC1 ZINC001610177779 1019642241 /nfs/dbraw/zinc/64/22/41/1019642241.db2.gz JAIPINCVBVYQCS-LDYMZIIASA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc(C(=O)OC)cn1)C(=O)[O-] ZINC001610179447 1019642899 /nfs/dbraw/zinc/64/28/99/1019642899.db2.gz XUTKMOFACJWTLP-VIFPVBQESA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1)C(=O)[O-] ZINC001610179596 1019642922 /nfs/dbraw/zinc/64/29/22/1019642922.db2.gz GWOQWMIZOWSYPT-VGMNWLOBSA-N -1 0 300.311 -0.589 20 0 DBADRM COC(=O)C[C@@H](NC(=O)Cn1cnc2c1CCCC2)C(=O)[O-] ZINC001610180947 1019642951 /nfs/dbraw/zinc/64/29/51/1019642951.db2.gz OHDSCUKQHOJIFV-SNVBAGLBSA-N -1 0 309.322 -0.106 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1ccccc1N)C(=O)[O-] ZINC001610182924 1019644593 /nfs/dbraw/zinc/64/45/93/1019644593.db2.gz UIKSFPGTNBCGAJ-SECBINFHSA-N -1 0 316.335 -0.047 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1Cc1c[nH]c(C(=O)[O-])c1 ZINC001610185448 1019644853 /nfs/dbraw/zinc/64/48/53/1019644853.db2.gz UFLOUVMTYXGHGH-LLVKDONJSA-N -1 0 309.322 -0.034 20 0 DBADRM COC(=O)CN(C)CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC001610182512 1019645059 /nfs/dbraw/zinc/64/50/59/1019645059.db2.gz KXPSKKYJGKXIID-POHAHGRESA-N -1 0 302.352 -0.017 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC001610184928 1019645274 /nfs/dbraw/zinc/64/52/74/1019645274.db2.gz IYPVIYGTHTXZPW-UHFFFAOYSA-N -1 0 321.289 -0.021 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CNC(=O)c1ccsc1 ZINC001610182472 1019645648 /nfs/dbraw/zinc/64/56/48/1019645648.db2.gz ZPMIUVGKJRPCBD-UHFFFAOYSA-N -1 0 314.319 -0.436 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CCn2ccnc2C1)C(=O)[O-] ZINC001610182983 1019645818 /nfs/dbraw/zinc/64/58/18/1019645818.db2.gz KJQFVHZWAVIFBO-VHSXEESVSA-N -1 0 309.322 -0.032 20 0 DBADRM COC(=O)CN1c2ccccc2N(CC(=O)[O-])S1(=O)=O ZINC001610184754 1019645957 /nfs/dbraw/zinc/64/59/57/1019645957.db2.gz CILUKLVZYDOEMK-UHFFFAOYSA-N -1 0 300.292 -0.185 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NCCCCC(=O)[O-])C[C@H]1C ZINC001610192369 1019648134 /nfs/dbraw/zinc/64/81/34/1019648134.db2.gz HPSHSDHKBYQZLK-NXEZZACHSA-N -1 0 314.338 -0.375 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1nccn2ccnc12 ZINC001610193661 1019648322 /nfs/dbraw/zinc/64/83/22/1019648322.db2.gz LGHQIFWUUDJXCX-MRVPVSSYSA-N -1 0 306.278 -0.135 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc(C(N)=O)cn1 ZINC001610192980 1019648334 /nfs/dbraw/zinc/64/83/34/1019648334.db2.gz FYYFRSVHFQWCME-SECBINFHSA-N -1 0 309.278 -0.683 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CCN1CCCS1(=O)=O ZINC001610197790 1019650015 /nfs/dbraw/zinc/65/00/15/1019650015.db2.gz SKYZLSIWJKDREJ-UHFFFAOYSA-N -1 0 317.323 -0.597 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)NCCC(=O)[O-])C[C@@]2(CCOC2)O1 ZINC001610195579 1019650933 /nfs/dbraw/zinc/65/09/33/1019650933.db2.gz YKFBJSJVNWCSNC-IINYFYTJSA-N -1 0 314.338 -0.626 20 0 DBADRM COC(=O)c1cn(C2CN(C(=O)c3cc(C(=O)[O-])no3)C2)nn1 ZINC001610217911 1019651397 /nfs/dbraw/zinc/65/13/97/1019651397.db2.gz LCQQGQKHGCUARC-UHFFFAOYSA-N -1 0 321.249 -0.552 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(C[C@H]2CCS(=O)(=O)C2)n1 ZINC001610196014 1019651646 /nfs/dbraw/zinc/65/16/46/1019651646.db2.gz VLUYCFJUYHMGKB-SSDOTTSWSA-N -1 0 302.308 -0.197 20 0 DBADRM COC(=O)c1cc(C(C)(C)NCCC(=O)NCC(=O)[O-])no1 ZINC001610198670 1019651712 /nfs/dbraw/zinc/65/17/12/1019651712.db2.gz POAZSQBYEBCTAD-UHFFFAOYSA-N -1 0 313.310 -0.123 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CC(=O)NC[C@H]1CCCO1 ZINC001610197284 1019651794 /nfs/dbraw/zinc/65/17/94/1019651794.db2.gz NUGPJXXIGZCFGZ-MRVPVSSYSA-N -1 0 311.294 -0.337 20 0 DBADRM CO[C@H]1CCN(C(=O)COCc2nncn2C)[C@H](C(=O)[O-])C1 ZINC001610237170 1019652424 /nfs/dbraw/zinc/65/24/24/1019652424.db2.gz MOIUPYMYXUDQHI-UWVGGRQHSA-N -1 0 312.326 -0.578 20 0 DBADRM CO[C@@H]1CC(=O)N(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001610235750 1019652549 /nfs/dbraw/zinc/65/25/49/1019652549.db2.gz NGZYAHIMYZQZIY-GHMZBOCLSA-N -1 0 323.353 -0.182 20 0 DBADRM COCC(=O)N(C)CC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC001610240242 1019652607 /nfs/dbraw/zinc/65/26/07/1019652607.db2.gz BQIFYROVXUEAJE-NSHDSACASA-N -1 0 316.354 -0.427 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001610225228 1019652975 /nfs/dbraw/zinc/65/29/75/1019652975.db2.gz LPFIFRAKWZTBEO-MNOVXSKESA-N -1 0 308.400 -0.168 20 0 DBADRM CO[C@@H]1CCN(CC(=O)NC[C@H]2CCCO2)[C@H](C(=O)[O-])C1 ZINC001610238526 1019653308 /nfs/dbraw/zinc/65/33/08/1019653308.db2.gz WMDCUAVTAWQIGN-UTUOFQBUSA-N -1 0 300.355 -0.154 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)c2ccnn2C)[C@@H](C(=O)[O-])C1 ZINC001610239052 1019654056 /nfs/dbraw/zinc/65/40/56/1019654056.db2.gz DAPDWESHNFEZIN-DTWKUNHWSA-N -1 0 303.340 -0.327 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CCC(O)(C(=O)[O-])CC1)C(C)C ZINC001610227483 1019654292 /nfs/dbraw/zinc/65/42/92/1019654292.db2.gz KPAUVLYAMLYFND-JTQLQIEISA-N -1 0 309.384 -0.101 20 0 DBADRM COC[C@H](CCO)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001610246585 1019655892 /nfs/dbraw/zinc/65/58/92/1019655892.db2.gz DCZQQTJVAYKHKW-QMMMGPOBSA-N -1 0 313.310 -0.825 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001610242877 1019655936 /nfs/dbraw/zinc/65/59/36/1019655936.db2.gz BITCXRIWEJBBNV-LLVKDONJSA-N -1 0 309.384 -0.052 20 0 DBADRM COC[C@@H](NC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C)C(=O)[O-] ZINC001610245822 1019656016 /nfs/dbraw/zinc/65/60/16/1019656016.db2.gz IATSVPAAMRUFSF-RKDXNWHRSA-N -1 0 309.326 -0.221 20 0 DBADRM COC[C@H](NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1)C1CC1 ZINC001610246344 1019656906 /nfs/dbraw/zinc/65/69/06/1019656906.db2.gz ZLZGNCHLMXREOX-QWRGUYRKSA-N -1 0 314.338 -0.770 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001610246324 1019657173 /nfs/dbraw/zinc/65/71/73/1019657173.db2.gz ZBLWAMHAFYOHEC-VIFPVBQESA-N -1 0 303.336 -0.021 20 0 DBADRM COC[C@@H](NC(=O)CNC(=O)Cc1ccc(O)cc1)C(=O)[O-] ZINC001610246143 1019657277 /nfs/dbraw/zinc/65/72/77/1019657277.db2.gz LIGAHPFFMFMWCH-LLVKDONJSA-N -1 0 310.306 -0.733 20 0 DBADRM COC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001610244645 1019657293 /nfs/dbraw/zinc/65/72/93/1019657293.db2.gz HAGLJLGURSMHRJ-LLVKDONJSA-N -1 0 310.306 -0.624 20 0 DBADRM COC[C@@H](CCO)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001610247064 1019658662 /nfs/dbraw/zinc/65/86/62/1019658662.db2.gz LFDLUVBMFQPTKN-SECBINFHSA-N -1 0 318.351 -0.236 20 0 DBADRM COC[C@H](NC(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC001610248694 1019658757 /nfs/dbraw/zinc/65/87/57/1019658757.db2.gz JKVRDGOGTXWVPB-VIFPVBQESA-N -1 0 301.320 -0.081 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)C(N)=O ZINC001610250596 1019658875 /nfs/dbraw/zinc/65/88/75/1019658875.db2.gz WEYRXBKPBBYCJX-SNVBAGLBSA-N -1 0 316.335 -0.908 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(C)cc1C(=O)[O-])C(N)=O ZINC001610249483 1019658960 /nfs/dbraw/zinc/65/89/60/1019658960.db2.gz DDNUOZZZDYVOPM-VIFPVBQESA-N -1 0 316.335 -0.528 20 0 DBADRM COCC1(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CCOCC1 ZINC001610247481 1019659208 /nfs/dbraw/zinc/65/92/08/1019659208.db2.gz CQXRXJZSILSGBK-NSHDSACASA-N -1 0 311.338 -0.035 20 0 DBADRM COC[C@H](CCO)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001610247066 1019660084 /nfs/dbraw/zinc/66/00/84/1019660084.db2.gz LFDLUVBMFQPTKN-VIFPVBQESA-N -1 0 318.351 -0.236 20 0 DBADRM COC[C@H](NC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C(=O)[O-] ZINC001610248576 1019660231 /nfs/dbraw/zinc/66/02/31/1019660231.db2.gz HOZPIFFSDNSGPO-QMMMGPOBSA-N -1 0 320.298 -0.698 20 0 DBADRM COCCN(C)CCNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001610258323 1019661283 /nfs/dbraw/zinc/66/12/83/1019661283.db2.gz NHTCHKKJGZMNKQ-UHFFFAOYSA-N -1 0 308.400 -0.261 20 0 DBADRM COCCCN(C)C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001610255260 1019661425 /nfs/dbraw/zinc/66/14/25/1019661425.db2.gz OKJRNYUZRGAPRH-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM COCCCS(=O)(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001610256904 1019661500 /nfs/dbraw/zinc/66/15/00/1019661500.db2.gz JXSXFKBREYNOQO-VHSXEESVSA-N -1 0 323.367 -0.309 20 0 DBADRM COCCOCCN1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001610260915 1019662114 /nfs/dbraw/zinc/66/21/14/1019662114.db2.gz FZEKOULETQVTGI-UWVGGRQHSA-N -1 0 300.311 -0.223 20 0 DBADRM COCCCN(CCO)C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001610254738 1019662336 /nfs/dbraw/zinc/66/23/36/1019662336.db2.gz BJLSEMVXUXVZBV-GHMZBOCLSA-N -1 0 316.354 -0.977 20 0 DBADRM COCC[C@H](NC(=O)[C@@](C)(O)Cn1ccccc1=O)C(=O)[O-] ZINC001610253843 1019662375 /nfs/dbraw/zinc/66/23/75/1019662375.db2.gz BSOSPGZINLQXCU-HZMBPMFUSA-N -1 0 312.322 -0.795 20 0 DBADRM COCC[C@@H](COC)NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001610254632 1019662484 /nfs/dbraw/zinc/66/24/84/1019662484.db2.gz OGWRLLGSQBMILA-NWDGAFQWSA-N -1 0 318.370 -0.095 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)[C@@H]3COCCO3)CC2)c1[O-] ZINC001506013537 1019663157 /nfs/dbraw/zinc/66/31/57/1019663157.db2.gz BZNQQYPKPWKQLS-VIFPVBQESA-N -1 0 324.337 -0.782 20 0 DBADRM COCCn1ccc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])n1 ZINC001610266615 1019663850 /nfs/dbraw/zinc/66/38/50/1019663850.db2.gz DUYJAYXGTDGOEZ-LLVKDONJSA-N -1 0 307.310 -0.391 20 0 DBADRM COCCS(=O)(=O)CCCN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001610264083 1019664820 /nfs/dbraw/zinc/66/48/20/1019664820.db2.gz TXXICHWYEREACR-LBPRGKRZSA-N -1 0 323.411 -0.405 20 0 DBADRM C[C@@H](CNC(=O)CCc1cn[nH]c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001506016878 1019664907 /nfs/dbraw/zinc/66/49/07/1019664907.db2.gz JGEDMPKCZKULMO-VIFPVBQESA-N -1 0 307.358 -0.197 20 0 DBADRM COCCOCC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001610262990 1019664923 /nfs/dbraw/zinc/66/49/23/1019664923.db2.gz DSOOHPSQSJVWQC-UWVGGRQHSA-N -1 0 303.311 -0.486 20 0 DBADRM COCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001610261626 1019665663 /nfs/dbraw/zinc/66/56/63/1019665663.db2.gz KPJMRYPPZBRFNF-LLVKDONJSA-N -1 0 308.290 -0.372 20 0 DBADRM COCc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)ncn1 ZINC001610268010 1019665724 /nfs/dbraw/zinc/66/57/24/1019665724.db2.gz STDGJOKFFNBGPS-WCBMZHEXSA-N -1 0 322.321 -0.117 20 0 DBADRM COCn1nccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001610275868 1019666948 /nfs/dbraw/zinc/66/69/48/1019666948.db2.gz XBJXQIGWCZDMBA-BDAKNGLRSA-N -1 0 303.340 -0.029 20 0 DBADRM COCn1nccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001610275869 1019668147 /nfs/dbraw/zinc/66/81/47/1019668147.db2.gz XBJXQIGWCZDMBA-DTWKUNHWSA-N -1 0 303.340 -0.029 20 0 DBADRM COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001610345116 1019669630 /nfs/dbraw/zinc/66/96/30/1019669630.db2.gz GIXBUCHZLJPABZ-DTWKUNHWSA-N -1 0 316.335 -0.454 20 0 DBADRM CCNC(=O)C[C@@H]1CCCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001610302498 1019669864 /nfs/dbraw/zinc/66/98/64/1019669864.db2.gz VJUXSOBZEHQPRP-NSHDSACASA-N -1 0 320.411 -0.134 20 0 DBADRM COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1 ZINC001610345118 1019670973 /nfs/dbraw/zinc/67/09/73/1019670973.db2.gz GIXBUCHZLJPABZ-RKDXNWHRSA-N -1 0 316.335 -0.454 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)C(=O)N(C)CCC(=O)[O-] ZINC001610302500 1019671317 /nfs/dbraw/zinc/67/13/17/1019671317.db2.gz WVMYSCXCWKOWBA-UHFFFAOYSA-N -1 0 301.343 -0.802 20 0 DBADRM COc1ccc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)c(C(=O)[O-])c1 ZINC001610339902 1019671859 /nfs/dbraw/zinc/67/18/59/1019671859.db2.gz DAKJTJQUHSGFMS-ZETCQYMHSA-N -1 0 321.289 -0.663 20 0 DBADRM COc1ccncc1NC(=O)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001610370139 1019674484 /nfs/dbraw/zinc/67/44/84/1019674484.db2.gz SEMBQRRGQBTNJU-ONGXEEELSA-N -1 0 323.305 -0.535 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)C(=O)NCCCCC(=O)[O-])CC1 ZINC001610372947 1019674529 /nfs/dbraw/zinc/67/45/29/1019674529.db2.gz RCZZDUXDDLPZKK-UHFFFAOYSA-N -1 0 320.367 -0.949 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](O)C(C)(C)C2)C[C@H]1C(=O)[O-] ZINC001610390866 1019675982 /nfs/dbraw/zinc/67/59/82/1019675982.db2.gz XWFOGBCDDMCKHR-GMTAPVOTSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(C(F)F)C2)C[C@H]1C(=O)[O-] ZINC001610390703 1019676460 /nfs/dbraw/zinc/67/64/60/1019676460.db2.gz PBMAXFRLXMCURN-OTPXZMOZSA-N -1 0 320.292 -0.606 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]2CCO)C[C@H]1C(=O)[O-] ZINC001610392889 1019677253 /nfs/dbraw/zinc/67/72/53/1019677253.db2.gz OSUOQJHTBSEUDB-KXNHARMFSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H]1CN(C(=O)CCC(=O)N2CCC(O)CC2)C[C@H]1C(=O)[O-] ZINC001610392835 1019677485 /nfs/dbraw/zinc/67/74/85/1019677485.db2.gz KXWQETMUOFTDJX-ZYHUDNBSSA-N -1 0 312.366 -0.071 20 0 DBADRM CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001610381322 1019677770 /nfs/dbraw/zinc/67/77/70/1019677770.db2.gz UANMULHGIONUGV-FSPLSTOPSA-N -1 0 323.396 -0.193 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)cccc1C(=O)[O-] ZINC001610418796 1019678858 /nfs/dbraw/zinc/67/88/58/1019678858.db2.gz COOXTMRUZSDFGR-VHSXEESVSA-N -1 0 322.317 -0.414 20 0 DBADRM Cc1c(C(=O)[O-])cc(CN2CC[C@@H](S(N)(=O)=O)C2)n1C ZINC001610406717 1019679366 /nfs/dbraw/zinc/67/93/66/1019679366.db2.gz BFABMDONDNHENZ-SNVBAGLBSA-N -1 0 301.368 -0.105 20 0 DBADRM Cc1c(NC(=O)C(=O)NCc2cccn2C)cnn1CC(=O)[O-] ZINC001610420971 1019680084 /nfs/dbraw/zinc/68/00/84/1019680084.db2.gz ZTSHMMJXXRIAOS-UHFFFAOYSA-N -1 0 319.321 -0.130 20 0 DBADRM Cc1c([C@@H](C)NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cnn1C ZINC001610411028 1019680477 /nfs/dbraw/zinc/68/04/77/1019680477.db2.gz KCPCYINKPXZMSZ-KCJUWKMLSA-N -1 0 324.337 -0.782 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N(C)C[C@H](O)CN2CCOCC2)n1 ZINC001610442638 1019682481 /nfs/dbraw/zinc/68/24/81/1019682481.db2.gz YLTNBIGHDKMKQN-NSHDSACASA-N -1 0 310.354 -0.387 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001610475423 1019683176 /nfs/dbraw/zinc/68/31/76/1019683176.db2.gz GDGVPRPPWLVMDD-KOLCDFICSA-N -1 0 310.306 -0.844 20 0 DBADRM Cc1cc(CN2CCN(CC(=O)NCCC(=O)[O-])CC2)on1 ZINC001610459979 1019683303 /nfs/dbraw/zinc/68/33/03/1019683303.db2.gz QIOKRUNGDMQIPH-UHFFFAOYSA-N -1 0 310.354 -0.308 20 0 DBADRM Cc1cc(N2CC[C@H](N3C[C@@H](O)C[C@H](C(=O)[O-])C3)C2=O)n(C)n1 ZINC001610469100 1019683539 /nfs/dbraw/zinc/68/35/39/1019683539.db2.gz GJFDZHZXUWCOMC-SRVKXCTJSA-N -1 0 322.365 -0.399 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC(=O)NC2CC2)c(C(=O)[O-])[nH]1 ZINC001610470188 1019684100 /nfs/dbraw/zinc/68/41/00/1019684100.db2.gz DHMNNLBUDGNMNW-UHFFFAOYSA-N -1 0 308.294 -0.645 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001610475425 1019684264 /nfs/dbraw/zinc/68/42/64/1019684264.db2.gz GDGVPRPPWLVMDD-ONGXEEELSA-N -1 0 310.306 -0.844 20 0 DBADRM Cc1c[nH]cc(C(=O)OCCc2cn(CC(=O)[O-])nn2)c1=O ZINC001610540446 1019684853 /nfs/dbraw/zinc/68/48/53/1019684853.db2.gz RRTXYHNXWDLJNM-UHFFFAOYSA-N -1 0 306.278 -0.241 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)[O-])c1 ZINC001610539753 1019685325 /nfs/dbraw/zinc/68/53/25/1019685325.db2.gz MNYHSBFSYXBREU-QMMMGPOBSA-N -1 0 303.340 -0.525 20 0 DBADRM Cc1ccnc2nc(C(=O)N3CCC[C@H](O)[C@@H]3C(=O)[O-])nn21 ZINC001610536353 1019686018 /nfs/dbraw/zinc/68/60/18/1019686018.db2.gz RXPQWGNQXXHIKC-DTWKUNHWSA-N -1 0 305.294 -0.517 20 0 DBADRM Cc1cncc(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001610540683 1019686101 /nfs/dbraw/zinc/68/61/01/1019686101.db2.gz KBTOXCLROIJZMN-GXSJLCMTSA-N -1 0 307.306 -0.377 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H](C)c2nncn2C)c1C(=O)[O-] ZINC001610549517 1019687055 /nfs/dbraw/zinc/68/70/55/1019687055.db2.gz FAWOWOSTRPKJHX-ZCFIWIBFSA-N -1 0 314.327 -0.416 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001610568572 1019688385 /nfs/dbraw/zinc/68/83/85/1019688385.db2.gz NJIIBFJAYGCHHK-VHSXEESVSA-N -1 0 324.337 -0.731 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001610565546 1019688414 /nfs/dbraw/zinc/68/84/14/1019688414.db2.gz RGIXAOCQVOTCKV-AWEZNQCLSA-N -1 0 308.338 -0.369 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001610568571 1019689096 /nfs/dbraw/zinc/68/90/96/1019689096.db2.gz NJIIBFJAYGCHHK-UWVGGRQHSA-N -1 0 324.337 -0.731 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCC(=O)N(C)C)c1C(=O)[O-] ZINC001610549895 1019689150 /nfs/dbraw/zinc/68/91/50/1019689150.db2.gz NEFDZHBTZMLEPE-UHFFFAOYSA-N -1 0 304.328 -0.827 20 0 DBADRM Cc1noc(CCCNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])n1 ZINC001610576087 1019692644 /nfs/dbraw/zinc/69/26/44/1019692644.db2.gz FWIYFJDQWGZFGS-JTQLQIEISA-N -1 0 324.337 -0.107 20 0 DBADRM Cc1noc(C)c1NC(=O)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001610576083 1019692830 /nfs/dbraw/zinc/69/28/30/1019692830.db2.gz WPXDUYGPNMYJIV-WPRPVWTQSA-N -1 0 311.294 -0.334 20 0 DBADRM Cc1oc(C(=O)N2CC(C)(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC001610578463 1019693106 /nfs/dbraw/zinc/69/31/06/1019693106.db2.gz LYSIAWQPJMAYCS-UHFFFAOYSA-N -1 0 302.308 -0.218 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001610570941 1019693169 /nfs/dbraw/zinc/69/31/69/1019693169.db2.gz CVKARQXZKCISFB-JTQLQIEISA-N -1 0 308.338 -0.273 20 0 DBADRM Cn1c(=O)cc(COC(=O)c2c[nH]c(C(=O)[O-])c2)n(C)c1=O ZINC001610598451 1019694634 /nfs/dbraw/zinc/69/46/34/1019694634.db2.gz SHQWUYRPHJDTCI-UHFFFAOYSA-N -1 0 307.262 -0.533 20 0 DBADRM Cn1cc([C@H](CO)NCC(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC001610601167 1019695491 /nfs/dbraw/zinc/69/54/91/1019695491.db2.gz DHNHFCNNECOAOG-LBPRGKRZSA-N -1 0 310.354 -0.634 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001610595234 1019696104 /nfs/dbraw/zinc/69/61/04/1019696104.db2.gz DBERJFCNKKJNFT-UHFFFAOYSA-N -1 0 315.351 -0.559 20 0 DBADRM Cn1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001610599819 1019696279 /nfs/dbraw/zinc/69/62/79/1019696279.db2.gz UUHSQVJHWRUNND-NGZCFLSTSA-N -1 0 321.333 -0.591 20 0 DBADRM Cn1cc(NC(=O)C(=O)N(CCO)CC2CC2)cc1C(=O)[O-] ZINC001610604085 1019696819 /nfs/dbraw/zinc/69/68/19/1019696819.db2.gz DJCJXLOBSOERSI-UHFFFAOYSA-N -1 0 309.322 -0.107 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2C[C@@H](O)C(C)(C)C2)cc1C(=O)[O-] ZINC001610604594 1019697134 /nfs/dbraw/zinc/69/71/34/1019697134.db2.gz MVLSKEXQSKMPEW-SNVBAGLBSA-N -1 0 309.322 -0.109 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)c3cc(C(=O)[O-])on3)C2=O)cn1 ZINC001610605525 1019697615 /nfs/dbraw/zinc/69/76/15/1019697615.db2.gz XCIISUFUSHAJNH-MRVPVSSYSA-N -1 0 319.277 -0.358 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cn1 ZINC001610604200 1019697981 /nfs/dbraw/zinc/69/79/81/1019697981.db2.gz DYNGUSRIAIBREB-SNVBAGLBSA-N -1 0 310.310 -0.957 20 0 DBADRM Cn1cc2c(n1)CCC[C@@H]2NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001610607393 1019698108 /nfs/dbraw/zinc/69/81/08/1019698108.db2.gz ZGKPHVRAIBXQBI-VIFPVBQESA-N -1 0 304.310 -0.096 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCC[S@](C)=O)cc1C(=O)[O-] ZINC001610604423 1019698192 /nfs/dbraw/zinc/69/81/92/1019698192.db2.gz DLBHESHSYBVOFE-FQEVSTJZSA-N -1 0 301.324 -0.844 20 0 DBADRM Cn1ccc(N2CCC[C@H](OC(=O)COCC(=O)[O-])C2=O)n1 ZINC001610608930 1019698346 /nfs/dbraw/zinc/69/83/46/1019698346.db2.gz VZGOQMUSELEKMM-VIFPVBQESA-N -1 0 311.294 -0.440 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@@H](O)C(F)(F)F ZINC001610614082 1019699963 /nfs/dbraw/zinc/69/99/63/1019699963.db2.gz MRBWDGLXVQUKFM-RXMQYKEDSA-N -1 0 324.215 -0.904 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCCCCCO ZINC001610614143 1019700301 /nfs/dbraw/zinc/70/03/01/1019700301.db2.gz NNUWJGXBJGCUKN-UHFFFAOYSA-N -1 0 312.326 -0.274 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)OCC(=O)NCCC(=O)[O-] ZINC001610613939 1019700339 /nfs/dbraw/zinc/70/03/39/1019700339.db2.gz PGYAFHPXBZHJQT-UHFFFAOYSA-N -1 0 310.310 -0.631 20 0 DBADRM Cn1cnc(CCCNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC001610611315 1019700388 /nfs/dbraw/zinc/70/03/88/1019700388.db2.gz MVROAMXTSXENIJ-JTQLQIEISA-N -1 0 311.342 -0.367 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)n1 ZINC001610611570 1019700712 /nfs/dbraw/zinc/70/07/12/1019700712.db2.gz YNWIFXQBDCXFKY-SECBINFHSA-N -1 0 321.337 -0.855 20 0 DBADRM Cn1cnn(CC(=O)NCc2ccccc2CC(=O)[O-])c1=O ZINC001610612070 1019700838 /nfs/dbraw/zinc/70/08/38/1019700838.db2.gz PMCUFRLGCMJAJT-UHFFFAOYSA-N -1 0 304.306 -0.475 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001610613440 1019700919 /nfs/dbraw/zinc/70/09/19/1019700919.db2.gz HYMVKYMEPBXWBD-CQSZACIVSA-N -1 0 308.338 -0.015 20 0 DBADRM Cn1cnn(CC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1=O ZINC001610611177 1019701231 /nfs/dbraw/zinc/70/12/31/1019701231.db2.gz DBRNEHLLCUZMEU-SNVBAGLBSA-N -1 0 302.290 -0.203 20 0 DBADRM Cn1nc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1OC(F)F ZINC001610612733 1019701243 /nfs/dbraw/zinc/70/12/43/1019701243.db2.gz LTWIBKFUXPOFRP-NKWVEPMBSA-N -1 0 319.264 -0.071 20 0 DBADRM Cn1nccc1CC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610616319 1019702679 /nfs/dbraw/zinc/70/26/79/1019702679.db2.gz LASVECDQEKUKBE-JTQLQIEISA-N -1 0 304.310 -0.274 20 0 DBADRM Cn1nnc2cc(C(=O)N[C@H](Cn3ccnc3)C(=O)[O-])cnc21 ZINC001610617047 1019703517 /nfs/dbraw/zinc/70/35/17/1019703517.db2.gz HKQAVAQFYWJDFV-SNVBAGLBSA-N -1 0 315.293 -0.557 20 0 DBADRM NC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001610637417 1019705895 /nfs/dbraw/zinc/70/58/95/1019705895.db2.gz BFUIIWKYKYFELZ-UHFFFAOYSA-N -1 0 307.715 -0.413 20 0 DBADRM NC(=O)C1(C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)CCC1 ZINC001610634529 1019706784 /nfs/dbraw/zinc/70/67/84/1019706784.db2.gz BHGPGKXLOLSTSX-VIFPVBQESA-N -1 0 321.337 -0.205 20 0 DBADRM NC(=O)C1CCN(C(=O)COC(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001610636482 1019706895 /nfs/dbraw/zinc/70/68/95/1019706895.db2.gz QSBGEUFAVZYLNM-UHFFFAOYSA-N -1 0 323.305 -0.406 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)nc1 ZINC001610639478 1019707766 /nfs/dbraw/zinc/70/77/66/1019707766.db2.gz GBHKQVDZQFODIX-NSHDSACASA-N -1 0 307.306 -0.522 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)N(CC(=O)[O-])C2CCOCC2)C1 ZINC001610638768 1019707808 /nfs/dbraw/zinc/70/78/08/1019707808.db2.gz LFWHGANDMNITSK-JTQLQIEISA-N -1 0 313.354 -0.131 20 0 DBADRM NC(=O)c1nccnc1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001610640617 1019708273 /nfs/dbraw/zinc/70/82/73/1019708273.db2.gz BBWIBEDPMIFMDA-RMLUDKJBSA-N -1 0 320.305 -0.861 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1 ZINC001610641044 1019708909 /nfs/dbraw/zinc/70/89/09/1019708909.db2.gz OCLRWKSAPNIFFP-PJXYFTJBSA-N -1 0 304.302 -0.047 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001610639853 1019709226 /nfs/dbraw/zinc/70/92/26/1019709226.db2.gz GUYUVYGEWFILBB-NXEZZACHSA-N -1 0 321.333 -0.509 20 0 DBADRM NC(=O)N1CCCN(CC(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001610638799 1019709373 /nfs/dbraw/zinc/70/93/73/1019709373.db2.gz NGCRDXKZXSDTSC-UHFFFAOYSA-N -1 0 321.337 -0.195 20 0 DBADRM NC(=O)c1ccc(CC(=O)N[C@H](Cn2ccnc2)C(=O)[O-])cc1 ZINC001610640582 1019710326 /nfs/dbraw/zinc/71/03/26/1019710326.db2.gz QMLLQHCMIZVQCQ-GFCCVEGCSA-N -1 0 316.317 -0.206 20 0 DBADRM NC(=O)CC1CN(C(=O)C(=O)Nc2sccc2C(=O)[O-])C1 ZINC001610637845 1019710381 /nfs/dbraw/zinc/71/03/81/1019710381.db2.gz YFBPILAQBVPYSR-UHFFFAOYSA-N -1 0 311.319 -0.281 20 0 DBADRM Nc1nccnc1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610648647 1019710855 /nfs/dbraw/zinc/71/08/55/1019710855.db2.gz IZLLETNAPMQFIE-MRVPVSSYSA-N -1 0 317.309 -0.174 20 0 DBADRM NS(=O)(=O)Cc1ccc(C(=O)N[C@H](CF)C(=O)[O-])cc1 ZINC001610645673 1019710897 /nfs/dbraw/zinc/71/08/97/1019710897.db2.gz ACEGIUSXZKJHFU-SECBINFHSA-N -1 0 304.299 -0.372 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])co1 ZINC001610645684 1019711011 /nfs/dbraw/zinc/71/10/11/1019711011.db2.gz BCHMIPGCIVCAHT-YFKPBYRVSA-N -1 0 312.250 -0.235 20 0 DBADRM NS(=O)(=O)CC1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001610645680 1019711886 /nfs/dbraw/zinc/71/18/86/1019711886.db2.gz AZWYAFVPORLLRX-UHFFFAOYSA-N -1 0 300.340 -0.320 20 0 DBADRM NS(=O)(=O)c1ccc(N2CC[C@@](F)(CO)C2)c(C(=O)[O-])c1 ZINC001610646832 1019712690 /nfs/dbraw/zinc/71/26/90/1019712690.db2.gz REHLDDOVJCOREA-LBPRGKRZSA-N -1 0 318.326 -0.057 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)CCn1nnc2ccccc2c1=O ZINC001610661509 1019713657 /nfs/dbraw/zinc/71/36/57/1019713657.db2.gz AWQOODFAUIPTSZ-JTQLQIEISA-N -1 0 308.269 -0.280 20 0 DBADRM Nc1c(NC(=O)Cn2ccc(=O)[nH]c2=O)cccc1C(=O)[O-] ZINC001610649881 1019713764 /nfs/dbraw/zinc/71/37/64/1019713764.db2.gz ZRGYRTOWOUKFRG-UHFFFAOYSA-N -1 0 304.262 -0.132 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CC[C@@H](CO)[C@H](O)C2)n1 ZINC001610662933 1019714417 /nfs/dbraw/zinc/71/44/17/1019714417.db2.gz WCBIPQXVTFLZNE-GXSJLCMTSA-N -1 0 309.322 -0.607 20 0 DBADRM O=C(CN1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O)NCC1CC1 ZINC001610661655 1019714519 /nfs/dbraw/zinc/71/45/19/1019714519.db2.gz FVEMRBIAVOPDMC-UWVGGRQHSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001610650989 1019714858 /nfs/dbraw/zinc/71/48/58/1019714858.db2.gz KZXBJXCJMJLOEY-SECBINFHSA-N -1 0 322.321 -0.799 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CC[C@@H](CO)[C@@H](O)C2)n1 ZINC001610662936 1019715142 /nfs/dbraw/zinc/71/51/42/1019715142.db2.gz WCBIPQXVTFLZNE-ONGXEEELSA-N -1 0 309.322 -0.607 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCCNC(=O)c1ccc(F)cc1 ZINC001610655988 1019715427 /nfs/dbraw/zinc/71/54/27/1019715427.db2.gz XNBUDQIPUWHEAL-LLVKDONJSA-N -1 0 312.297 -0.103 20 0 DBADRM O=C([O-])c1ccc(NC(=O)CN2CC[C@H](CO)[C@H](O)C2)cc1 ZINC001610662909 1019715647 /nfs/dbraw/zinc/71/56/47/1019715647.db2.gz UCSQRVGZFCVZMF-DGCLKSJQSA-N -1 0 308.334 -0.002 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001610656271 1019715887 /nfs/dbraw/zinc/71/58/87/1019715887.db2.gz RJVJDAOATCZZHP-GUBZILKMSA-N -1 0 312.322 -0.887 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001610656075 1019715967 /nfs/dbraw/zinc/71/59/67/1019715967.db2.gz KJZMYVHEHPUGAJ-GUBZILKMSA-N -1 0 312.322 -0.887 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC001610654365 1019716223 /nfs/dbraw/zinc/71/62/23/1019716223.db2.gz DBUKBEQYOPXCTQ-SNVBAGLBSA-N -1 0 323.301 -0.018 20 0 DBADRM O=C([O-])C1(O)CCN(CC(=O)NC(=O)NC2CCCC2)CC1 ZINC001610662534 1019716245 /nfs/dbraw/zinc/71/62/45/1019716245.db2.gz LXWYMMAUEZLWLY-UHFFFAOYSA-N -1 0 313.354 -0.334 20 0 DBADRM O=C([O-])C1(NC(=O)[C@@H]2CCCOC2)CCS(=O)(=O)CC1 ZINC001610683421 1019716864 /nfs/dbraw/zinc/71/68/64/1019716864.db2.gz NZUAPXUUEIMYJP-SECBINFHSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC001610681934 1019716922 /nfs/dbraw/zinc/71/69/22/1019716922.db2.gz RNBHGPKSOMEYML-QMMMGPOBSA-N -1 0 317.298 -0.977 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)C2CCS(=O)(=O)CC2)CCSC1 ZINC001610683545 1019717214 /nfs/dbraw/zinc/71/72/14/1019717214.db2.gz UNITXQIBZZOIKF-LLVKDONJSA-N -1 0 307.393 -0.112 20 0 DBADRM O=C([O-])c1nccnc1Nc1cnn(CC(=O)NCCO)c1 ZINC001610678094 1019717550 /nfs/dbraw/zinc/71/75/50/1019717550.db2.gz YBCJAPJHTKIBDR-UHFFFAOYSA-N -1 0 306.282 -0.777 20 0 DBADRM O=C([O-])C1(NC(=O)c2cccnc2F)CCS(=O)(=O)CC1 ZINC001610683504 1019717771 /nfs/dbraw/zinc/71/77/71/1019717771.db2.gz REPQONZROYDFBR-UHFFFAOYSA-N -1 0 316.310 -0.018 20 0 DBADRM O=C([O-])c1ccc(COC(=O)Cn2ccc(=O)[nH]c2=O)nc1 ZINC001610678411 1019717867 /nfs/dbraw/zinc/71/78/67/1019717867.db2.gz YTFHMAOAKBVCSX-UHFFFAOYSA-N -1 0 305.246 -0.215 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CN1CSCC1=O)Cc1ccncc1 ZINC001610664037 1019718064 /nfs/dbraw/zinc/71/80/64/1019718064.db2.gz OITMKNBIEWQBBU-NSHDSACASA-N -1 0 323.374 -0.026 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)c1cnn2cccnc12 ZINC001610681179 1019718298 /nfs/dbraw/zinc/71/82/98/1019718298.db2.gz FLOZHRGYAAKTBD-SNVBAGLBSA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@@H]2CCOC3(CCOCC3)C2)nn1 ZINC001610677423 1019718762 /nfs/dbraw/zinc/71/87/62/1019718762.db2.gz RENMPUTUYVRRRO-SNVBAGLBSA-N -1 0 324.337 -0.179 20 0 DBADRM O=C([O-])c1cccc(NC(=O)COC(=O)C2(CO)COC2)n1 ZINC001610667913 1019718890 /nfs/dbraw/zinc/71/88/90/1019718890.db2.gz QVZJYBYXCILOTQ-UHFFFAOYSA-N -1 0 310.262 -0.730 20 0 DBADRM O=C([O-])c1cccc(C(=O)OCC(=O)NC(=O)NC2CC2)n1 ZINC001610670131 1019718959 /nfs/dbraw/zinc/71/89/59/1019718959.db2.gz OYKCVYANJXVWKG-UHFFFAOYSA-N -1 0 307.262 -0.075 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCc2noc(C(F)(F)F)n2)nn1 ZINC001610677424 1019718999 /nfs/dbraw/zinc/71/89/99/1019718999.db2.gz RGTSHJNFEKRGGM-UHFFFAOYSA-N -1 0 320.187 -0.306 20 0 DBADRM O=C([O-])C1(NC(=O)[C@H]2CCCOC2)CCS(=O)(=O)CC1 ZINC001610683423 1019719093 /nfs/dbraw/zinc/71/90/93/1019719093.db2.gz NZUAPXUUEIMYJP-VIFPVBQESA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)C(=O)NC3CCCC3)C2)nn1 ZINC001610687257 1019719872 /nfs/dbraw/zinc/71/98/72/1019719872.db2.gz WEVNCOJVWRKIGD-JTQLQIEISA-N -1 0 321.337 -0.192 20 0 DBADRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)NCCn2ncnn2)c1 ZINC001610695868 1019720429 /nfs/dbraw/zinc/72/04/29/1019720429.db2.gz UUAUAFMXYBHVBW-UHFFFAOYSA-N -1 0 322.256 -0.735 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)CNC(=O)c1ccccc1 ZINC001610685474 1019720562 /nfs/dbraw/zinc/72/05/62/1019720562.db2.gz FAQFQZFOKXJJDT-WCQYABFASA-N -1 0 306.318 -0.147 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NC[C@H]2CCCC[C@@H]2O)nn1 ZINC001610695516 1019720634 /nfs/dbraw/zinc/72/06/34/1019720634.db2.gz LHGVPWNAKASQAE-KOLCDFICSA-N -1 0 311.342 -0.173 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001610695858 1019720695 /nfs/dbraw/zinc/72/06/95/1019720695.db2.gz UDVOOUQSXZWLRM-QWHCGFSZSA-N -1 0 308.334 -0.551 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC001610692117 1019720738 /nfs/dbraw/zinc/72/07/38/1019720738.db2.gz INFQUEGOXLNXQH-ZJUUUORDSA-N -1 0 323.349 -0.953 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)CNC(=O)c1ccc(F)cc1 ZINC001610687553 1019721609 /nfs/dbraw/zinc/72/16/09/1019721609.db2.gz SZOFIFOMWNVAPD-WCQYABFASA-N -1 0 324.308 -0.008 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@@H]2CCc3nncn3C2)CCOCC1 ZINC001610689467 1019721709 /nfs/dbraw/zinc/72/17/09/1019721709.db2.gz BACRLKGXLRKDRO-SNVBAGLBSA-N -1 0 308.338 -0.162 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@@H]2CC=CCC2)C1 ZINC001610693014 1019721727 /nfs/dbraw/zinc/72/17/27/1019721727.db2.gz YOKMMCLWWYXRBB-UTUOFQBUSA-N -1 0 310.350 -0.247 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)NC[C@H]2COCCO2)CC1 ZINC001610721486 1019722317 /nfs/dbraw/zinc/72/23/17/1019722317.db2.gz BPCZYHMTZKLPMO-WDEREUQCSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])C1(NC(=O)C(=O)Nc2cnn(-c3ccccn3)c2)CC1 ZINC001610710652 1019722868 /nfs/dbraw/zinc/72/28/68/1019722868.db2.gz HWASBSWNSIOEAZ-UHFFFAOYSA-N -1 0 315.289 -0.061 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC001610715152 1019723310 /nfs/dbraw/zinc/72/33/10/1019723310.db2.gz BKQVDNOFBACYRI-BQBZGAKWSA-N -1 0 302.224 -0.212 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)NCCc2cnccn2)CC1 ZINC001610722912 1019723483 /nfs/dbraw/zinc/72/34/83/1019723483.db2.gz QPLYSQSEKCWOMF-LBPRGKRZSA-N -1 0 308.338 -0.114 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCC[C@]12CCOC2=O ZINC001610702543 1019723548 /nfs/dbraw/zinc/72/35/48/1019723548.db2.gz GGKZOUMSUBLCSW-TVLCNXBWSA-N -1 0 310.306 -0.726 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC001610724015 1019723752 /nfs/dbraw/zinc/72/37/52/1019723752.db2.gz OIWTYQXTHFVVFN-GFCCVEGCSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCc2ccccc2F)C1 ZINC001610697897 1019723859 /nfs/dbraw/zinc/72/38/59/1019723859.db2.gz FTZYAYLEQCFOOA-WDEREUQCSA-N -1 0 324.308 -0.264 20 0 DBADRM O=C([O-])c1ccc(Cl)cc1NC(=O)C(=O)NC(CO)CO ZINC001610703979 1019724204 /nfs/dbraw/zinc/72/42/04/1019724204.db2.gz MOPBHRBGFGECIS-UHFFFAOYSA-N -1 0 316.697 -0.554 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)NC[C@@H]2COCCO2)CC1 ZINC001610721483 1019724310 /nfs/dbraw/zinc/72/43/10/1019724310.db2.gz BPCZYHMTZKLPMO-MNOVXSKESA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(S(=O)(=O)c2cnc3n2CCC3)C1 ZINC001610737325 1019724836 /nfs/dbraw/zinc/72/48/36/1019724836.db2.gz PJAXXARODPKWTD-BDAKNGLRSA-N -1 0 315.351 -0.715 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(C(=O)C(=O)NCC(F)F)CC2 ZINC001610732662 1019725187 /nfs/dbraw/zinc/72/51/87/1019725187.db2.gz XKSPYBBVMDBLPW-UHFFFAOYSA-N -1 0 319.264 -0.410 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001610735223 1019726078 /nfs/dbraw/zinc/72/60/78/1019726078.db2.gz FJGSCAXTNXAJQC-YUMQZZPRSA-N -1 0 306.278 -0.429 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2Cc3ccccc3C2)C1 ZINC001610736071 1019726147 /nfs/dbraw/zinc/72/61/47/1019726147.db2.gz VFFADJNSYXYXSO-CHWSQXEVSA-N -1 0 318.329 -0.177 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1cccn2c(=O)[nH]nc12 ZINC001610732034 1019726640 /nfs/dbraw/zinc/72/66/40/1019726640.db2.gz BKIHJDSKYKVRQX-IUCAKERBSA-N -1 0 306.278 -0.515 20 0 DBADRM O=C([O-])C1(O)CCN(S(=O)(=O)c2cnc3n2CCC3)CC1 ZINC001610729620 1019726672 /nfs/dbraw/zinc/72/66/72/1019726672.db2.gz AQACGSKFMVMRDL-UHFFFAOYSA-N -1 0 315.351 -0.571 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(S(=O)(=O)c2cnc3n2CCC3)C1 ZINC001610737327 1019726688 /nfs/dbraw/zinc/72/66/88/1019726688.db2.gz PJAXXARODPKWTD-DTWKUNHWSA-N -1 0 315.351 -0.715 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC(F)(F)C2)C1 ZINC001610734456 1019726803 /nfs/dbraw/zinc/72/68/03/1019726803.db2.gz IWWBEVKKFQXHIY-HTQZYQBOSA-N -1 0 306.265 -0.852 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCc3ncsc3C2)C1 ZINC001610742052 1019728104 /nfs/dbraw/zinc/72/81/04/1019728104.db2.gz OBJFZVOHVYDKSD-QMMMGPOBSA-N -1 0 309.347 -0.039 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)NC1COCCOC1 ZINC001610743678 1019728670 /nfs/dbraw/zinc/72/86/70/1019728670.db2.gz KYPADCDGHMNBAV-WDEREUQCSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(S(=O)(=O)CCC2CCOCC2)C1 ZINC001610738527 1019729105 /nfs/dbraw/zinc/72/91/05/1019729105.db2.gz XSJNLPGLBSOWBP-VXGBXAGGSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2cc(Cn3cccn3)on2)C1 ZINC001610738913 1019729285 /nfs/dbraw/zinc/72/92/85/1019729285.db2.gz RVKBGQICOCDEQA-UWVGGRQHSA-N -1 0 320.305 -0.173 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCc2nnnn2CC2CC2)CCO1 ZINC001610746726 1019729330 /nfs/dbraw/zinc/72/93/30/1019729330.db2.gz JALFUPJEIKLMTD-SECBINFHSA-N -1 0 310.314 -0.922 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(S(=O)(=O)CCC2CCOCC2)C1 ZINC001610738524 1019729832 /nfs/dbraw/zinc/72/98/32/1019729832.db2.gz XSJNLPGLBSOWBP-NEPJUHHUSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C[C@@H]1CCCS(=O)(=O)C1 ZINC001610761818 1019730532 /nfs/dbraw/zinc/73/05/32/1019730532.db2.gz MFQLQPCVXBQLHU-VHSXEESVSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCc2ncncc2C1 ZINC001610759815 1019730603 /nfs/dbraw/zinc/73/06/03/1019730603.db2.gz KGFJXMFSYFBJGU-BXKDBHETSA-N -1 0 318.333 -0.617 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1nnn(CC(F)(F)F)n1 ZINC001610761507 1019730640 /nfs/dbraw/zinc/73/06/40/1019730640.db2.gz DYERNQDTPHTZGV-ZCFIWIBFSA-N -1 0 322.247 -0.990 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)NCc1nc(C2CC2)no1 ZINC001610768806 1019732747 /nfs/dbraw/zinc/73/27/47/1019732747.db2.gz ZNFOSOMXQJLFMR-UHFFFAOYSA-N -1 0 310.310 -0.066 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001610764373 1019733422 /nfs/dbraw/zinc/73/34/22/1019733422.db2.gz HGXVZTNKIBBCQW-JTQLQIEISA-N -1 0 324.337 -0.917 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCSC2)CCO1 ZINC001610763675 1019733682 /nfs/dbraw/zinc/73/36/82/1019733682.db2.gz YJQLPTPPEYIXMB-BDAKNGLRSA-N -1 0 302.352 -0.690 20 0 DBADRM O=C([O-])CC[C@H]1NC(=O)N(CCNC(=O)c2cccnc2)C1=O ZINC001610777850 1019735201 /nfs/dbraw/zinc/73/52/01/1019735201.db2.gz MRKJZRDROYDMIX-SNVBAGLBSA-N -1 0 320.305 -0.403 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Cn1ccc2ccccc2c1=O ZINC001610782264 1019735796 /nfs/dbraw/zinc/73/57/96/1019735796.db2.gz NSYRBGGRGMTBJQ-UHFFFAOYSA-N -1 0 317.301 -0.682 20 0 DBADRM O=C([O-])COCC(=O)OCCNS(=O)(=O)c1ccccc1 ZINC001610785701 1019735985 /nfs/dbraw/zinc/73/59/85/1019735985.db2.gz VIBMTWCXUWSOFK-UHFFFAOYSA-N -1 0 317.319 -0.391 20 0 DBADRM O=C([O-])CNC(=O)C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC001610781630 1019736095 /nfs/dbraw/zinc/73/60/95/1019736095.db2.gz BJSSZBMJRMKLHO-ZDUSSCGKSA-N -1 0 319.361 -0.175 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)NCc2cn[nH]n2)cc1 ZINC001610786209 1019736333 /nfs/dbraw/zinc/73/63/33/1019736333.db2.gz GEVRKAKUWKPMKH-UHFFFAOYSA-N -1 0 319.277 -0.477 20 0 DBADRM O=C([O-])CNC(=O)C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC001610781629 1019736433 /nfs/dbraw/zinc/73/64/33/1019736433.db2.gz BJSSZBMJRMKLHO-CYBMUJFWSA-N -1 0 319.361 -0.175 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)c1ncnc2n[nH]cc21 ZINC001610779948 1019737130 /nfs/dbraw/zinc/73/71/30/1019737130.db2.gz BXNCSXQQXVIGNM-UHFFFAOYSA-N -1 0 306.326 -0.424 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC001610780061 1019737193 /nfs/dbraw/zinc/73/71/93/1019737193.db2.gz RNLQEPNMCFOSLL-OLZOCXBDSA-N -1 0 311.382 -0.326 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(C[C@@H](O)CC(F)(F)F)c2=O ZINC001610800747 1019739269 /nfs/dbraw/zinc/73/92/69/1019739269.db2.gz CUPGIMOKPKEXQN-LURJTMIESA-N -1 0 320.227 -0.009 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)CN2CCn3ncnc3C2)n1 ZINC001610798620 1019739458 /nfs/dbraw/zinc/73/94/58/1019739458.db2.gz JEIXXESPCCFSOV-UHFFFAOYSA-N -1 0 322.350 -0.184 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N[C@@H]1CNC(=O)C1 ZINC001610797177 1019740929 /nfs/dbraw/zinc/74/09/29/1019740929.db2.gz IRUZJKYRKXOIFG-VIFPVBQESA-N -1 0 305.290 -0.743 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CN3CCCCC3=O)C2)nn1 ZINC001610858071 1019741194 /nfs/dbraw/zinc/74/11/94/1019741194.db2.gz PXXQPJZTJSGPRC-UHFFFAOYSA-N -1 0 307.310 -0.628 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)CC3OCCO3)C2)nn1 ZINC001610856828 1019741466 /nfs/dbraw/zinc/74/14/66/1019741466.db2.gz VJHLMRIYDBPUFA-VIFPVBQESA-N -1 0 310.310 -0.097 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C2(N3CCOCC3)CCC2)nn1 ZINC001610858876 1019741931 /nfs/dbraw/zinc/74/19/31/1019741931.db2.gz GHPCWLBVOOEFQE-UHFFFAOYSA-N -1 0 323.353 -0.653 20 0 DBADRM O=C([O-])c1cccc(C(=O)N(CCO)CCN2CCOCC2)n1 ZINC001610844021 1019741969 /nfs/dbraw/zinc/74/19/69/1019741969.db2.gz PXYLFTBZZFSXNL-UHFFFAOYSA-N -1 0 323.349 -0.454 20 0 DBADRM O=C([O-])c1ccc(N2CCN(C(=O)c3cc[nH]n3)CC2)nn1 ZINC001610833752 1019743151 /nfs/dbraw/zinc/74/31/51/1019743151.db2.gz YPXXMCZRBXHYOD-UHFFFAOYSA-N -1 0 302.294 -0.140 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCC2(O)CCS(=O)(=O)CC2)[nH]1 ZINC001610822340 1019743339 /nfs/dbraw/zinc/74/33/39/1019743339.db2.gz APQLJKHWFQVQLR-UHFFFAOYSA-N -1 0 316.335 -0.618 20 0 DBADRM O=C([O-])c1ccc(N2CCO[C@]3(CCS(=O)(=O)C3)C2)nn1 ZINC001610834489 1019743437 /nfs/dbraw/zinc/74/34/37/1019743437.db2.gz WKLNFZNKZOZPJD-GFCCVEGCSA-N -1 0 313.335 -0.431 20 0 DBADRM O=C([O-])c1cn(C2CN(S(=O)(=O)Cc3ccon3)C2)nn1 ZINC001610860841 1019744096 /nfs/dbraw/zinc/74/40/96/1019744096.db2.gz YRJLTJIBEHQBHV-UHFFFAOYSA-N -1 0 313.295 -0.649 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)n1 ZINC001610886052 1019744137 /nfs/dbraw/zinc/74/41/37/1019744137.db2.gz CCVBVQLUNIQWAJ-CQSZACIVSA-N -1 0 318.289 -0.406 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)c1nccs1 ZINC001506121786 1019746896 /nfs/dbraw/zinc/74/68/96/1019746896.db2.gz ANTMXTOKNRVESW-UHFFFAOYSA-N -1 0 324.366 -0.666 20 0 DBADRM O=C([O-])C1CCN(C(=O)COC(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC001610882640 1019747346 /nfs/dbraw/zinc/74/73/46/1019747346.db2.gz AFCAGMGTNTUDBZ-SNVBAGLBSA-N -1 0 312.322 -0.621 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N1CCn2cnnc2C1 ZINC001610873162 1019748321 /nfs/dbraw/zinc/74/83/21/1019748321.db2.gz PPGRRVFMAXENKI-UHFFFAOYSA-N -1 0 315.336 -0.363 20 0 DBADRM O=Cc1c[nH]c(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)c1 ZINC001610885403 1019748379 /nfs/dbraw/zinc/74/83/79/1019748379.db2.gz YQZHOXPJIWPQOE-UHFFFAOYSA-N -1 0 314.319 -0.411 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NN=c1nccc[nH]1 ZINC001610873361 1019748419 /nfs/dbraw/zinc/74/84/19/1019748419.db2.gz SMNLDBROMWWEHE-UHFFFAOYSA-N -1 0 301.309 -0.063 20 0 DBADRM CN(CCC(=O)[O-])C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001610924152 1019749178 /nfs/dbraw/zinc/74/91/78/1019749178.db2.gz PBGNAFGEWBNVHH-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM O=Cc1ccccc1S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001610887270 1019750348 /nfs/dbraw/zinc/75/03/48/1019750348.db2.gz AZAGRWPNIGQLMD-GHMZBOCLSA-N -1 0 313.331 -0.045 20 0 DBADRM COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)NCCC(=O)[O-])CC2 ZINC001610965427 1019751716 /nfs/dbraw/zinc/75/17/16/1019751716.db2.gz YFZOOQURXHYJMQ-VIFPVBQESA-N -1 0 312.322 -0.621 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001610956266 1019752090 /nfs/dbraw/zinc/75/20/90/1019752090.db2.gz LMJMHTGGJFSEFI-MRVPVSSYSA-N -1 0 307.306 -0.036 20 0 DBADRM COC(=O)[C@H](NC(=O)CSCC(=O)[O-])c1ccn(C)n1 ZINC001610965246 1019752646 /nfs/dbraw/zinc/75/26/46/1019752646.db2.gz TZDJHBDCQZHIKU-SNVBAGLBSA-N -1 0 301.324 -0.432 20 0 DBADRM COC(=O)NCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001610972297 1019752677 /nfs/dbraw/zinc/75/26/77/1019752677.db2.gz FJRHLINVVQRBAU-UHFFFAOYSA-N -1 0 323.305 -0.276 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)C(=O)N(C)CCC(=O)[O-] ZINC001610956306 1019752712 /nfs/dbraw/zinc/75/27/12/1019752712.db2.gz PRNVIYAAYIJNGT-UHFFFAOYSA-N -1 0 321.333 -0.153 20 0 DBADRM COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)CC(=O)[O-])cn1C ZINC001610976914 1019752784 /nfs/dbraw/zinc/75/27/84/1019752784.db2.gz YGJIPPAWMPREFJ-SSDOTTSWSA-N -1 0 311.294 -0.270 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001610956363 1019753713 /nfs/dbraw/zinc/75/37/13/1019753713.db2.gz XCWIKIDTBZUQMN-AWEZNQCLSA-N -1 0 309.322 -0.068 20 0 DBADRM COC(=O)c1cncc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC001610986043 1019753734 /nfs/dbraw/zinc/75/37/34/1019753734.db2.gz AVNIWMIOYXUXGT-MRVPVSSYSA-N -1 0 321.289 -0.260 20 0 DBADRM CN1Cc2ccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])cc2C1 ZINC001610956342 1019753908 /nfs/dbraw/zinc/75/39/08/1019753908.db2.gz VWPGKLANLAGYRL-OAHLLOKOSA-N -1 0 321.333 -0.478 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001610960206 1019754120 /nfs/dbraw/zinc/75/41/20/1019754120.db2.gz KGIRUTKASDDZOQ-QMMMGPOBSA-N -1 0 309.388 -0.564 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001610956364 1019754189 /nfs/dbraw/zinc/75/41/89/1019754189.db2.gz XCWIKIDTBZUQMN-CQSZACIVSA-N -1 0 309.322 -0.068 20 0 DBADRM COC(=O)c1cncc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC001610986044 1019754212 /nfs/dbraw/zinc/75/42/12/1019754212.db2.gz AVNIWMIOYXUXGT-QMMMGPOBSA-N -1 0 321.289 -0.260 20 0 DBADRM COc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c1F ZINC001611066618 1019755307 /nfs/dbraw/zinc/75/53/07/1019755307.db2.gz CVCJTEUGPOEDDV-CYBMUJFWSA-N -1 0 314.269 -0.275 20 0 DBADRM COCCn1cc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC001611015716 1019755642 /nfs/dbraw/zinc/75/56/42/1019755642.db2.gz MIQNLVGYDWKVTF-NSHDSACASA-N -1 0 312.326 -0.476 20 0 DBADRM CO[C@@H]1CC[C@H]2OCCN(CCS(=O)(=O)CC(=O)[O-])[C@H]2C1 ZINC001610991526 1019756122 /nfs/dbraw/zinc/75/61/22/1019756122.db2.gz TUORHJKKPXHQIM-GRYCIOLGSA-N -1 0 321.395 -0.246 20 0 DBADRM CO[C@@H]1CCCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001610991480 1019756166 /nfs/dbraw/zinc/75/61/66/1019756166.db2.gz QRTQRNZICNMCRA-GMTAPVOTSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@@H](O)[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001611100469 1019756436 /nfs/dbraw/zinc/75/64/36/1019756436.db2.gz FKFBTQUNRXCSQX-LHLIQPBNSA-N -1 0 314.269 -0.680 20 0 DBADRM C[C@H](NC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001611108661 1019756706 /nfs/dbraw/zinc/75/67/06/1019756706.db2.gz ZROHOFZRQHASHK-JGVFFNPUSA-N -1 0 316.339 -0.163 20 0 DBADRM CO[C@@H]1CC[C@@H]2OCCN(CCS(=O)(=O)CC(=O)[O-])[C@@H]2C1 ZINC001610991528 1019756824 /nfs/dbraw/zinc/75/68/24/1019756824.db2.gz TUORHJKKPXHQIM-UTUOFQBUSA-N -1 0 321.395 -0.246 20 0 DBADRM Cc1cc(C)c(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c(C)n1 ZINC001611136909 1019757525 /nfs/dbraw/zinc/75/75/25/1019757525.db2.gz LYPHUVYEYMTZHQ-CQSZACIVSA-N -1 0 309.322 -0.103 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])cn2ccnc12 ZINC001611150595 1019758382 /nfs/dbraw/zinc/75/83/82/1019758382.db2.gz QDCFQRBRRAPIHL-CQSZACIVSA-N -1 0 320.305 -0.467 20 0 DBADRM Cc1c(CN(C)C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cnn1C ZINC001611122586 1019758595 /nfs/dbraw/zinc/75/85/95/1019758595.db2.gz ZWXSWJWNWAMMKW-SNVBAGLBSA-N -1 0 308.338 -0.380 20 0 DBADRM Cc1cnn(CCC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC001611221890 1019758765 /nfs/dbraw/zinc/75/87/65/1019758765.db2.gz WDFOZASZMCPZSH-SNVBAGLBSA-N -1 0 315.351 -0.708 20 0 DBADRM Cn1c(CO)nnc1S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001611271780 1019760222 /nfs/dbraw/zinc/76/02/22/1019760222.db2.gz ARJIATZXBRIDFY-UHFFFAOYSA-N -1 0 311.319 -0.021 20 0 DBADRM NC(=O)C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC001611304882 1019760813 /nfs/dbraw/zinc/76/08/13/1019760813.db2.gz URAJCEUXZBFSTI-UWVGGRQHSA-N -1 0 311.338 -0.967 20 0 DBADRM NC(=O)C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC001611304886 1019761063 /nfs/dbraw/zinc/76/10/63/1019761063.db2.gz URAJCEUXZBFSTI-ZJUUUORDSA-N -1 0 311.338 -0.967 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnc3)C2)C1 ZINC001611369628 1019763277 /nfs/dbraw/zinc/76/32/77/1019763277.db2.gz AJQYCWSLURCJQL-NWDGAFQWSA-N -1 0 320.349 -0.020 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCN(CC(F)(F)F)C(=O)C2)C1 ZINC001611361620 1019763367 /nfs/dbraw/zinc/76/33/67/1019763367.db2.gz FJGOKODQCKMQNL-ZETCQYMHSA-N -1 0 323.227 -0.551 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)C1 ZINC001611369635 1019763491 /nfs/dbraw/zinc/76/34/91/1019763491.db2.gz BDZYJUHLMMMMRZ-JGVFFNPUSA-N -1 0 306.265 -0.852 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC001611362533 1019763519 /nfs/dbraw/zinc/76/35/19/1019763519.db2.gz WICJUXGDWPTTBE-MWLCHTKSSA-N -1 0 309.322 -0.313 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnc3)C2)C1 ZINC001611369630 1019764053 /nfs/dbraw/zinc/76/40/53/1019764053.db2.gz AJQYCWSLURCJQL-VXGBXAGGSA-N -1 0 320.349 -0.020 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCN(c3cnccn3)CC2)C1 ZINC001611361350 1019764787 /nfs/dbraw/zinc/76/47/87/1019764787.db2.gz BIQINEAJCCYGIA-SNVBAGLBSA-N -1 0 305.294 -0.645 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@]12CCOC2 ZINC001611401860 1019765115 /nfs/dbraw/zinc/76/51/15/1019765115.db2.gz RXOSTTQNMUDOMF-AUTRQRHGSA-N -1 0 303.336 -0.877 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc[nH]2)CCO1 ZINC001611387311 1019765194 /nfs/dbraw/zinc/76/51/94/1019765194.db2.gz YUAKBGSYWBNHMO-RYUDHWBXSA-N -1 0 321.333 -0.010 20 0 DBADRM C/C=C(\C)C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001506154054 1019765220 /nfs/dbraw/zinc/76/52/20/1019765220.db2.gz LALXYFNWDLKNLA-XVNBXDOJSA-N -1 0 307.310 -0.372 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC001611443236 1019767192 /nfs/dbraw/zinc/76/71/92/1019767192.db2.gz IREZOZFJDBKTNG-ZANVPECISA-N -1 0 316.379 -0.252 20 0 DBADRM O=C([O-])CNC(=O)CN1CCS(=O)(=O)C[C@@H]1C1CCC1 ZINC001611471120 1019767679 /nfs/dbraw/zinc/76/76/79/1019767679.db2.gz USQGYOKZJSCJQX-SNVBAGLBSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC001611443235 1019767715 /nfs/dbraw/zinc/76/77/15/1019767715.db2.gz IREZOZFJDBKTNG-TVQRCGJNSA-N -1 0 316.379 -0.252 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(F)c(C=O)c1 ZINC001611575617 1019768758 /nfs/dbraw/zinc/76/87/58/1019768758.db2.gz FWYCXRJEBYBXIX-UHFFFAOYSA-N -1 0 316.310 -0.166 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cc1c(C)[nH]c2nn(C)c(=O)c-2c1C ZINC001611679769 1019769577 /nfs/dbraw/zinc/76/95/77/1019769577.db2.gz DTEOUSBJKDOTPB-UHFFFAOYSA-N -1 0 321.337 -0.785 20 0 DBADRM C[C@H]1CC(=O)NN1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC001575940226 1019770463 /nfs/dbraw/zinc/77/04/63/1019770463.db2.gz XMBWBOLZWFNLCX-VIFPVBQESA-N -1 0 315.337 -0.392 20 0 DBADRM CO[N-]C(=O)CNC(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC001616310747 1019776950 /nfs/dbraw/zinc/77/69/50/1019776950.db2.gz DPJCQAWAJYEPDZ-UHFFFAOYSA-N -1 0 307.306 -0.256 20 0 DBADRM CCOC(=O)[C@@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)C(C)C ZINC001616142424 1019777333 /nfs/dbraw/zinc/77/73/33/1019777333.db2.gz NMGUNGKFBYMGTF-VHSXEESVSA-N -1 0 311.342 -0.065 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC001616311428 1019779292 /nfs/dbraw/zinc/77/92/92/1019779292.db2.gz OWWAINCTNNTQSE-UHFFFAOYSA-N -1 0 304.306 -0.466 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NCCc1n[n-]c(=S)o1 ZINC001617080655 1019782930 /nfs/dbraw/zinc/78/29/30/1019782930.db2.gz SNORIYWHAKLZEC-UHFFFAOYSA-N -1 0 308.385 -0.702 20 0 DBADRM CC1(C)OC[C@H](/C=C\C(=O)N2CCC(O)(c3nnn[n-]3)CC2)O1 ZINC001617702600 1019785170 /nfs/dbraw/zinc/78/51/70/1019785170.db2.gz BTGZLIMXZXMEKE-XOULXFPDSA-N -1 0 323.353 -0.283 20 0 DBADRM O=C(NCCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1n[nH]c(=O)[n-]c1=O ZINC001576014485 1019791844 /nfs/dbraw/zinc/79/18/44/1019791844.db2.gz INRRYARVRPZQML-BRPSZJMVSA-N -1 0 321.337 -0.435 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCc1c(C)nc2ncnn2c1C ZINC001618148291 1019791960 /nfs/dbraw/zinc/79/19/60/1019791960.db2.gz KZYYKUFQYIRCHS-UHFFFAOYSA-N -1 0 306.326 -0.532 20 0 DBADRM CC1(C(=O)NCCCNC(=O)Cn2c(=O)[n-][nH]c2=O)CC=CC1 ZINC001576032627 1019799221 /nfs/dbraw/zinc/79/92/21/1019799221.db2.gz XANNRDXECSPWTO-UHFFFAOYSA-N -1 0 323.353 -0.332 20 0 DBADRM CC[C@@H](C)C(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001506258577 1019805962 /nfs/dbraw/zinc/80/59/62/1019805962.db2.gz CXTIPPIQEQNNOH-SSDOTTSWSA-N -1 0 309.326 -0.388 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001576085707 1019807122 /nfs/dbraw/zinc/80/71/22/1019807122.db2.gz OPRIMBQWPMPMKU-IUCAKERBSA-N -1 0 314.353 -0.205 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001576124961 1019812214 /nfs/dbraw/zinc/81/22/14/1019812214.db2.gz CNZUHHFITHEUFA-HTQZYQBOSA-N -1 0 319.325 -0.566 20 0 DBADRM C[C@]1(NC(=O)C(F)F)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001506388810 1019839496 /nfs/dbraw/zinc/83/94/96/1019839496.db2.gz XQSQAWQBGSDCCO-NSHDSACASA-N -1 0 319.268 -0.938 20 0 DBADRM CCC(=O)N1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001576407583 1019846610 /nfs/dbraw/zinc/84/66/10/1019846610.db2.gz YUVLYJJXVVYFTB-IUCAKERBSA-N -1 0 302.342 -0.253 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)Nc2c[nH]nc2-c2nnn[n-]2)C1 ZINC001576411393 1019847050 /nfs/dbraw/zinc/84/70/50/1019847050.db2.gz LEPVIBIWOMJXDI-ZETCQYMHSA-N -1 0 304.314 -0.213 20 0 DBADRM CCC(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576431309 1019849418 /nfs/dbraw/zinc/84/94/18/1019849418.db2.gz YIKMSXAWFUNRHI-MRVPVSSYSA-N -1 0 303.326 -0.065 20 0 DBADRM CCC(=O)N[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)C[C@H]1OC ZINC001576478056 1019854781 /nfs/dbraw/zinc/85/47/81/1019854781.db2.gz YPNHNZITLUYKRB-RKDXNWHRSA-N -1 0 318.341 -0.614 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(N)=O ZINC001576558847 1019867886 /nfs/dbraw/zinc/86/78/86/1019867886.db2.gz ZAQLFXHYZDNVFZ-SNVBAGLBSA-N -1 0 314.327 -0.608 20 0 DBADRM CC[C@@H](C)[C@H](C)NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576601642 1019871588 /nfs/dbraw/zinc/87/15/88/1019871588.db2.gz VARFZUSBLGPPDH-SFYZADRCSA-N -1 0 321.341 -0.320 20 0 DBADRM CN(CCCNC(=O)CC1CC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001576656328 1019876082 /nfs/dbraw/zinc/87/60/82/1019876082.db2.gz CBVXFCBNYVNUBP-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM CC[C@H](C[C@@H](C)O)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001576706235 1019878921 /nfs/dbraw/zinc/87/89/21/1019878921.db2.gz RPMDNRDFAINCKI-RNFRBKRXSA-N -1 0 309.330 -0.373 20 0 DBADRM CCNC(=O)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001506738726 1019893795 /nfs/dbraw/zinc/89/37/95/1019893795.db2.gz ZMOQWODYFLEBDH-SECBINFHSA-N -1 0 324.385 -0.637 20 0 DBADRM CC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)c1ncc[nH]1 ZINC001576999338 1019975646 /nfs/dbraw/zinc/97/56/46/1019975646.db2.gz PZPWRXYOQSBDQF-LURJTMIESA-N -1 0 317.313 -0.048 20 0 DBADRM CC[C@@H](OC)C(=O)NC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001577017409 1019984574 /nfs/dbraw/zinc/98/45/74/1019984574.db2.gz CHJVHTKSLALVTO-RKDXNWHRSA-N -1 0 320.357 -0.580 20 0 DBADRM CC[C@H](OC)C(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001577030480 1019988705 /nfs/dbraw/zinc/98/87/05/1019988705.db2.gz FEOCRQQHIZEIRE-VIFPVBQESA-N -1 0 320.357 -0.366 20 0 DBADRM CCC[C@H](O)CCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001577326583 1020055154 /nfs/dbraw/zinc/05/51/54/1020055154.db2.gz SQGXRFLXKBQWIN-QMMMGPOBSA-N -1 0 323.357 -0.773 20 0 DBADRM CN(CCCNC(=O)C(C)(C)C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001577364539 1020056278 /nfs/dbraw/zinc/05/62/78/1020056278.db2.gz JAUHZSVYMDZWOO-UHFFFAOYSA-N -1 0 311.342 -0.093 20 0 DBADRM CCCCC(=O)NC[C@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001577417566 1020062783 /nfs/dbraw/zinc/06/27/83/1020062783.db2.gz SNBOYNNAPXLTEO-SECBINFHSA-N -1 0 320.357 -0.842 20 0 DBADRM CCN(CCNC(=O)[C@@H](C)OC)c1ccnc(-c2nnn[n-]2)n1 ZINC001577927379 1020146346 /nfs/dbraw/zinc/14/63/46/1020146346.db2.gz WSDAJZVQPCQSLA-SECBINFHSA-N -1 0 320.357 -0.366 20 0 DBADRM C[C@@H](C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)n1cccc1 ZINC001507189027 1020152215 /nfs/dbraw/zinc/15/22/15/1020152215.db2.gz NNGZLAPVOSNCEC-UWVGGRQHSA-N -1 0 308.342 -0.860 20 0 DBADRM O=C(Cn1cnc2sccc2c1=O)[N-]OCc1cn[nH]n1 ZINC001577969034 1020157269 /nfs/dbraw/zinc/15/72/69/1020157269.db2.gz LHXBISFNJFIQNR-UHFFFAOYSA-N -1 0 306.307 -0.176 20 0 DBADRM CC/C(C)=C/C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001578033065 1020176436 /nfs/dbraw/zinc/17/64/36/1020176436.db2.gz SXMSTKBIKHVXTQ-ZKXNXJMVSA-N -1 0 323.353 -0.237 20 0 DBADRM CCN1CCCN(C(=O)c2ccc(-c3nn[nH]n3)n2C)CC1=O ZINC001578221287 1020203170 /nfs/dbraw/zinc/20/31/70/1020203170.db2.gz RXDIFUJEENTGQF-UHFFFAOYSA-N -1 0 317.353 -0.100 20 0 DBADRM CCN1CC2(C1)C[C@H](NC(=O)c1ccc(-c3nn[nH]n3)[nH]1)CO2 ZINC001578215616 1020204400 /nfs/dbraw/zinc/20/44/00/1020204400.db2.gz OBFYWXQLIHWPKW-VIFPVBQESA-N -1 0 317.353 -0.212 20 0 DBADRM CCN1CC2(C1)C[C@H](NC(=O)c1cc(-c3nn[nH]n3)c[nH]1)CO2 ZINC001578214899 1020204872 /nfs/dbraw/zinc/20/48/72/1020204872.db2.gz GFPSLQFFDDYESJ-JTQLQIEISA-N -1 0 317.353 -0.212 20 0 DBADRM CCOCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001578364729 1020221828 /nfs/dbraw/zinc/22/18/28/1020221828.db2.gz FEOUHLDUMSPRCR-KYZUINATSA-N -1 0 318.341 -0.248 20 0 DBADRM CCOCC(=O)NCC1(Nc2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001578361100 1020221863 /nfs/dbraw/zinc/22/18/63/1020221863.db2.gz YWNKTNREICXYLH-UHFFFAOYSA-N -1 0 318.341 -0.246 20 0 DBADRM CCOCC(=O)NC[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001578364028 1020221995 /nfs/dbraw/zinc/22/19/95/1020221995.db2.gz NAOXBANXKKZXKE-QMMMGPOBSA-N -1 0 321.341 -0.534 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)c2cnccc2-c2nn[nH]n2)C1 ZINC001578408005 1020230342 /nfs/dbraw/zinc/23/03/42/1020230342.db2.gz ICGKKZYVIXDMPI-UHFFFAOYSA-N -1 0 322.350 -0.479 20 0 DBADRM CCS(=O)(=O)CC(=O)NCc1ccc(-c2nn[nH]n2)s1 ZINC001578411576 1020230613 /nfs/dbraw/zinc/23/06/13/1020230613.db2.gz RVZVGUGDUULOLF-UHFFFAOYSA-N -1 0 315.380 -0.021 20 0 DBADRM CCc1c[nH]c(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001578494669 1020248345 /nfs/dbraw/zinc/24/83/45/1020248345.db2.gz IUQZUNACRONYTH-SSDOTTSWSA-N -1 0 316.329 -0.379 20 0 DBADRM CCc1c[nH]c(CC(=O)NCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001578554569 1020267917 /nfs/dbraw/zinc/26/79/17/1020267917.db2.gz JKLXWYSUICBXAC-UHFFFAOYSA-N -1 0 316.329 -0.897 20 0 DBADRM CCc1nc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)co1 ZINC001578620171 1020274464 /nfs/dbraw/zinc/27/44/64/1020274464.db2.gz JHAWZQBFJVAQQJ-UHFFFAOYSA-N -1 0 318.297 -0.172 20 0 DBADRM CCc1noc(COCC(=O)Nc2c[nH]nc2-c2nnn[n-]2)n1 ZINC001578710475 1020285777 /nfs/dbraw/zinc/28/57/77/1020285777.db2.gz AFNSNOYEIXWGCZ-UHFFFAOYSA-N -1 0 319.285 -0.310 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2CCCC[C@@H]2O)c1=O ZINC001578736121 1020287546 /nfs/dbraw/zinc/28/75/46/1020287546.db2.gz QOSSQLAMLNPYRD-KOLCDFICSA-N -1 0 320.353 -0.239 20 0 DBADRM CN(C(=O)CCn1cnnn1)c1ccc(-c2nn[nH]n2)nc1 ZINC001578876385 1020320739 /nfs/dbraw/zinc/32/07/39/1020320739.db2.gz XERLPIHKVUIUSO-UHFFFAOYSA-N -1 0 300.286 -0.699 20 0 DBADRM CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CN(C(=O)C2CC2)C1 ZINC001578907027 1020328083 /nfs/dbraw/zinc/32/80/83/1020328083.db2.gz JGQRLUBLQMKBAU-UHFFFAOYSA-N -1 0 315.337 -0.112 20 0 DBADRM CN(C(=O)c1ccc(-c2nn[nH]n2)n1C)[C@H]1CCCCNC1=O ZINC001578922463 1020330669 /nfs/dbraw/zinc/33/06/69/1020330669.db2.gz KOIZRVJFTJJQNA-JTQLQIEISA-N -1 0 317.353 -0.054 20 0 DBADRM CN(C)c1cc(C(=O)N(C)c2nnn[n-]2)cc(-c2nn[nH]n2)c1 ZINC001578996061 1020350200 /nfs/dbraw/zinc/35/02/00/1020350200.db2.gz JGMFMHUPUKNOLI-UHFFFAOYSA-N -1 0 314.313 -0.278 20 0 DBADRM CN(CCNC(=O)[C@@H]1CC1(F)F)c1ccc(-c2nn[nH]n2)nn1 ZINC001579166266 1020384064 /nfs/dbraw/zinc/38/40/64/1020384064.db2.gz AXIYTIOBWVMXHM-ZETCQYMHSA-N -1 0 324.295 -0.136 20 0 DBADRM CN(CCNC(=O)[C@H]1CCCO1)c1ccnc(-c2nnn[n-]2)n1 ZINC001579169492 1020386864 /nfs/dbraw/zinc/38/68/64/1020386864.db2.gz PJWACOWWJQAYDL-SECBINFHSA-N -1 0 318.341 -0.612 20 0 DBADRM CN(CCNC(=O)CC(C)(C)O)c1ccnc(-c2nnn[n-]2)n1 ZINC001579174385 1020386903 /nfs/dbraw/zinc/38/69/03/1020386903.db2.gz UZRXKKLBMSEZPR-UHFFFAOYSA-N -1 0 320.357 -0.630 20 0 DBADRM CN(CCNC(=O)c1cnco1)c1nccnc1-c1nn[nH]n1 ZINC001579201354 1020392191 /nfs/dbraw/zinc/39/21/91/1020392191.db2.gz LZZAPDGUDAGXCC-UHFFFAOYSA-N -1 0 315.297 -0.489 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)[C@H]1CC1(F)F ZINC001579213883 1020396285 /nfs/dbraw/zinc/39/62/85/1020396285.db2.gz MGUZTVSUSGFIHP-SSDOTTSWSA-N -1 0 324.295 -0.396 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579389243 1020440980 /nfs/dbraw/zinc/44/09/80/1020440980.db2.gz WHFRHECMHRXOCV-SSDOTTSWSA-N -1 0 319.325 -0.470 20 0 DBADRM CNS(=O)(=O)c1ccc(Cn2cc(-c3nnn[n-]3)nn2)cc1 ZINC001579428653 1020451632 /nfs/dbraw/zinc/45/16/32/1020451632.db2.gz SESWVAXUXTYUAO-UHFFFAOYSA-N -1 0 320.338 -0.585 20 0 DBADRM COC(=O)C1(NC(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)CC1 ZINC001579438834 1020453815 /nfs/dbraw/zinc/45/38/15/1020453815.db2.gz SGFIFRYHZXBEMR-UHFFFAOYSA-N -1 0 318.293 -0.289 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)c1cnco1 ZINC001507676208 1020469348 /nfs/dbraw/zinc/46/93/48/1020469348.db2.gz XTNDSQMMBIFHQH-QMMMGPOBSA-N -1 0 310.314 -0.937 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CCc2cn[nH]c2)c1 ZINC001579477157 1020472680 /nfs/dbraw/zinc/47/26/80/1020472680.db2.gz BMIZUVOCZJMGLC-UHFFFAOYSA-N -1 0 315.293 -0.219 20 0 DBADRM CO[C@@H](C(=O)NCc1cncc(-c2nn[nH]n2)c1)[C@H]1CCOC1 ZINC001579526002 1020480623 /nfs/dbraw/zinc/48/06/23/1020480623.db2.gz HVOMQWAKVGSURN-CMPLNLGQSA-N -1 0 318.337 -0.071 20 0 DBADRM CO[C@@H](C)C(=O)N(C)CCNc1nccnc1-c1nn[nH]n1 ZINC001579533310 1020481331 /nfs/dbraw/zinc/48/13/31/1020481331.db2.gz QXCXSPTXPCUSAS-QMMMGPOBSA-N -1 0 306.330 -0.438 20 0 DBADRM CO[C@H](C)C(=O)N1CC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579533169 1020481406 /nfs/dbraw/zinc/48/14/06/1020481406.db2.gz QNQFIEKAAVDQGH-SSDOTTSWSA-N -1 0 319.325 -0.830 20 0 DBADRM CO[C@H](C(=O)NCc1cncc(-c2nn[nH]n2)c1)[C@H]1CCOC1 ZINC001579526004 1020482756 /nfs/dbraw/zinc/48/27/56/1020482756.db2.gz HVOMQWAKVGSURN-JQWIXIFHSA-N -1 0 318.337 -0.071 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[nH]n2)nn1 ZINC001579539034 1020484567 /nfs/dbraw/zinc/48/45/67/1020484567.db2.gz FIZPOVXCQYEARX-IUCAKERBSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@@](C)([C@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001579534131 1020485433 /nfs/dbraw/zinc/48/54/33/1020485433.db2.gz OKLCDTJJAWBERY-SDBXPKJASA-N -1 0 320.357 -0.222 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579538698 1020486580 /nfs/dbraw/zinc/48/65/80/1020486580.db2.gz BTNZPNQRXJXXRE-YUMQZZPRSA-N -1 0 321.341 -0.536 20 0 DBADRM CO[C@H](C)C(=O)N[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579538695 1020487441 /nfs/dbraw/zinc/48/74/41/1020487441.db2.gz BTNZPNQRXJXXRE-HTQZYQBOSA-N -1 0 321.341 -0.536 20 0 DBADRM COCC(=O)N1C[C@@H](Nc2cnc(-c3nn[nH]n3)cn2)C[C@@H]1C ZINC001579622822 1020506103 /nfs/dbraw/zinc/50/61/03/1020506103.db2.gz AJAYQIHMLIHCHC-IUCAKERBSA-N -1 0 318.341 -0.296 20 0 DBADRM COCC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001579623764 1020507925 /nfs/dbraw/zinc/50/79/25/1020507925.db2.gz KJIIQLZFAAQEKA-RKDXNWHRSA-N -1 0 318.341 -0.438 20 0 DBADRM COCC(=O)N1CCC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579627998 1020513145 /nfs/dbraw/zinc/51/31/45/1020513145.db2.gz PYNKHLITVCYYAM-VIFPVBQESA-N -1 0 318.341 -0.872 20 0 DBADRM COCC(=O)N[C@]1(C)CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579633415 1020516856 /nfs/dbraw/zinc/51/68/56/1020516856.db2.gz KPEOAYVEZKSRGI-CYBMUJFWSA-N -1 0 318.341 -0.612 20 0 DBADRM COCC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579642021 1020526732 /nfs/dbraw/zinc/52/67/32/1020526732.db2.gz ICNBSZKZPKGMAL-DTORHVGOSA-N -1 0 318.341 -0.968 20 0 DBADRM COCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579756257 1020545814 /nfs/dbraw/zinc/54/58/14/1020545814.db2.gz WFOVDCHBGIKRQQ-SECBINFHSA-N -1 0 318.341 -0.872 20 0 DBADRM COCCCC(=O)N[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001579788589 1020555090 /nfs/dbraw/zinc/55/50/90/1020555090.db2.gz YIHHQKLXSSZFCA-SECBINFHSA-N -1 0 320.357 -0.578 20 0 DBADRM CON1CCN(C(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)CC1 ZINC001579848713 1020568988 /nfs/dbraw/zinc/56/89/88/1020568988.db2.gz NFULAJBYXKXTSG-UHFFFAOYSA-N -1 0 319.325 -0.405 20 0 DBADRM CO[C@@H]1CN(CC(=O)Nc2sccc2-c2nn[nH]n2)C[C@H]1O ZINC001579853745 1020575367 /nfs/dbraw/zinc/57/53/67/1020575367.db2.gz NBKUFCHMYHUIIK-RKDXNWHRSA-N -1 0 324.366 -0.442 20 0 DBADRM CCC(=O)N[C@H](C)[C@@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001508438610 1020590696 /nfs/dbraw/zinc/59/06/96/1020590696.db2.gz HNZYNJOQRNQZBG-HTQZYQBOSA-N -1 0 311.342 -0.365 20 0 DBADRM COc1cc(CNC(=O)c2nnn(C)n2)ccc1-c1nn[nH]n1 ZINC001579928459 1020596374 /nfs/dbraw/zinc/59/63/74/1020596374.db2.gz XYOHFWBZHCBVET-UHFFFAOYSA-N -1 0 315.297 -0.671 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NC(=O)Cn2nccn2)c1[O-] ZINC001508542287 1020624940 /nfs/dbraw/zinc/62/49/40/1020624940.db2.gz XTAVTZFEJPUVNB-JGVFFNPUSA-N -1 0 321.341 -0.662 20 0 DBADRM COc1ccc(CNC(=O)c2nnn(C)n2)cc1-c1nn[nH]n1 ZINC001580015297 1020630124 /nfs/dbraw/zinc/63/01/24/1020630124.db2.gz YGBYYHYAKHQKGA-UHFFFAOYSA-N -1 0 315.297 -0.671 20 0 DBADRM COc1ccc(Oc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)cn1 ZINC001580048678 1020638793 /nfs/dbraw/zinc/63/87/93/1020638793.db2.gz QRQJAYUSNQVLTG-UHFFFAOYSA-N -1 0 317.265 -0.550 20 0 DBADRM C[C@H](CNC(=O)CC1CC1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001508714753 1020652764 /nfs/dbraw/zinc/65/27/64/1020652764.db2.gz UEPAMAWJIIUUPG-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM CS(=O)(=O)c1ccc(Cn2cnc(-c3nnn[n-]3)cc2=O)o1 ZINC001580171396 1020660877 /nfs/dbraw/zinc/66/08/77/1020660877.db2.gz MKJKOERGIIZRML-UHFFFAOYSA-N -1 0 322.306 -0.532 20 0 DBADRM CS[C@H](C)C(=O)NCCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001580189387 1020666124 /nfs/dbraw/zinc/66/61/24/1020666124.db2.gz JUDBXWBZMGTQSE-MRVPVSSYSA-N -1 0 322.398 -0.252 20 0 DBADRM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[C@H]2O)cc1-c1nnn[n-]1 ZINC001580230471 1020671745 /nfs/dbraw/zinc/67/17/45/1020671745.db2.gz ZEQNCZGMASNJLK-HTQZYQBOSA-N -1 0 322.350 -0.058 20 0 DBADRM C[C@@H](CNC(=O)C1CC(C)C1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001508800366 1020673999 /nfs/dbraw/zinc/67/39/99/1020673999.db2.gz CJCURSBWDVTLBY-MGURRDGZSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CC1(F)F ZINC001580290661 1020681866 /nfs/dbraw/zinc/68/18/66/1020681866.db2.gz OTWCCSKJGSVBOP-NKWVEPMBSA-N -1 0 324.295 -0.350 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1ccon1 ZINC001580291164 1020682291 /nfs/dbraw/zinc/68/22/91/1020682291.db2.gz WJIFIULCCOPUJE-ZETCQYMHSA-N -1 0 315.297 -0.703 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1cc[nH]c1 ZINC001580291195 1020683876 /nfs/dbraw/zinc/68/38/76/1020683876.db2.gz WXVIPVDENVBYKT-QMMMGPOBSA-N -1 0 313.325 -0.363 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1ccc[nH]1 ZINC001580290015 1020684149 /nfs/dbraw/zinc/68/41/49/1020684149.db2.gz BLCOARDENYFITC-QMMMGPOBSA-N -1 0 313.325 -0.363 20 0 DBADRM C[C@@]12CSC[C@@H]1CN(C(=O)Cn1cnc(-c3nnn[n-]3)n1)C2 ZINC001580391075 1020706362 /nfs/dbraw/zinc/70/63/62/1020706362.db2.gz AKKXNQCMXRXHOY-QPUJVOFHSA-N -1 0 320.382 -0.330 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CC12CC2 ZINC001580414134 1020706912 /nfs/dbraw/zinc/70/69/12/1020706912.db2.gz NHBXQCGZAHWINS-RKDXNWHRSA-N -1 0 314.353 -0.205 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCO1 ZINC001580413949 1020707405 /nfs/dbraw/zinc/70/74/05/1020707405.db2.gz GDQUAGKDEKTGIJ-RKDXNWHRSA-N -1 0 318.341 -0.826 20 0 DBADRM CC[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001508979647 1020713201 /nfs/dbraw/zinc/71/32/01/1020713201.db2.gz IORJJUCCWNLGBQ-JGVFFNPUSA-N -1 0 311.342 -0.094 20 0 DBADRM C[C@H]1[C@@H](O)CCCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001580456236 1020719231 /nfs/dbraw/zinc/71/92/31/1020719231.db2.gz MJAZIJZNILXFHO-IUCAKERBSA-N -1 0 324.366 -0.204 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC[C@H](O)[C@H](F)C1 ZINC001580598053 1020759222 /nfs/dbraw/zinc/75/92/22/1020759222.db2.gz QAJHMWPVGCJQQV-BDAKNGLRSA-N -1 0 322.300 -0.179 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CCNC(=O)[C@@H]1C ZINC001580600738 1020763335 /nfs/dbraw/zinc/76/33/35/1020763335.db2.gz PDRVPTARSDPGDJ-ZETCQYMHSA-N -1 0 317.309 -0.764 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@@H](C)C(=O)N(C)C ZINC001580599808 1020763979 /nfs/dbraw/zinc/76/39/79/1020763979.db2.gz GNNZKGYLYHEZRG-ZETCQYMHSA-N -1 0 319.325 -0.518 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NCCn2ccc(=O)[nH]c2=O)n1 ZINC001580746367 1020795981 /nfs/dbraw/zinc/79/59/81/1020795981.db2.gz ICJFJTMQOJORFM-UHFFFAOYSA-N -1 0 315.297 -0.660 20 0 DBADRM Cc1cc(F)c(-c2nn[nH]n2)cc1NC(=O)[C@H](CO)NC(N)=O ZINC001580933075 1020814124 /nfs/dbraw/zinc/81/41/24/1020814124.db2.gz OUXUFYBCOJRQOP-VIFPVBQESA-N -1 0 323.288 -0.718 20 0 DBADRM Cc1nc(-c2nn[nH]n2)cc(N2CCn3c(CO)nnc3C2)n1 ZINC001581411260 1020833887 /nfs/dbraw/zinc/83/38/87/1020833887.db2.gz RVBNBPVYLIZYHX-UHFFFAOYSA-N -1 0 314.313 -0.931 20 0 DBADRM Cc1nc(-c2nn[nH]n2)cc(N2CCC[C@H](CNC(N)=O)C2)n1 ZINC001581411283 1020833922 /nfs/dbraw/zinc/83/39/22/1020833922.db2.gz TULWJVJZFJCSLX-SECBINFHSA-N -1 0 317.357 -0.150 20 0 DBADRM Cc1nc(NC[C@@]2(OCCO)CCOC2)cc(-c2nn[nH]n2)n1 ZINC001581512494 1020837024 /nfs/dbraw/zinc/83/70/24/1020837024.db2.gz AWCCYFLVMQGATI-ZDUSSCGKSA-N -1 0 321.341 -0.455 20 0 DBADRM Cc1nn(CC(=O)Oc2ccc(-c3nn[nH]n3)cc2)c(=O)n1C ZINC001581603748 1020838927 /nfs/dbraw/zinc/83/89/27/1020838927.db2.gz IINCOSNLHORCRJ-UHFFFAOYSA-N -1 0 315.293 -0.324 20 0 DBADRM Cc1ncc(CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)o1 ZINC001581549209 1020839018 /nfs/dbraw/zinc/83/90/18/1020839018.db2.gz TWOBRYGXAXANFS-UHFFFAOYSA-N -1 0 318.301 -0.746 20 0 DBADRM Cc1nnc(CNC(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)o1 ZINC001581609358 1020839985 /nfs/dbraw/zinc/83/99/85/1020839985.db2.gz HCGFGLYSNBJBDW-UHFFFAOYSA-N -1 0 316.281 -0.103 20 0 DBADRM Cn1c(=O)[nH]c(NCCc2cnccn2)c(-c2nnn[n-]2)c1=O ZINC001581747405 1020842477 /nfs/dbraw/zinc/84/24/77/1020842477.db2.gz MRGQARCKVBYDBS-UHFFFAOYSA-N -1 0 315.297 -0.889 20 0 DBADRM Cn1c(=O)[nH]c(NCCc2cc[nH]n2)c(-c2nnn[n-]2)c1=O ZINC001581747455 1020843195 /nfs/dbraw/zinc/84/31/95/1020843195.db2.gz ONWVRXOTHKMGTL-UHFFFAOYSA-N -1 0 303.286 -0.956 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@@H](O)CC(C)(C)C)c(-c2nnn[n-]2)c1=O ZINC001581748210 1020844530 /nfs/dbraw/zinc/84/45/30/1020844530.db2.gz SLGSTDAZVPTGPT-ZETCQYMHSA-N -1 0 323.357 -0.125 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@@H]2COC(C)(C)O2)c(-c2nnn[n-]2)c1=O ZINC001581747616 1020844750 /nfs/dbraw/zinc/84/47/50/1020844750.db2.gz RLCXZQVGUFPTSQ-ZCFIWIBFSA-N -1 0 323.313 -0.771 20 0 DBADRM Cn1cc(Cl)c(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC001581775010 1020847540 /nfs/dbraw/zinc/84/75/40/1020847540.db2.gz SFHNZLKGUSZCSF-UHFFFAOYSA-N -1 0 322.720 -0.839 20 0 DBADRM Cn1cncc1CCNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001581817722 1020849103 /nfs/dbraw/zinc/84/91/03/1020849103.db2.gz MVAGHPNAWDNMQU-UHFFFAOYSA-N -1 0 317.313 -0.946 20 0 DBADRM Cn1nc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)cc1Cl ZINC001581822152 1020849354 /nfs/dbraw/zinc/84/93/54/1020849354.db2.gz GAAWQOSUSOZJLK-UHFFFAOYSA-N -1 0 322.720 -0.725 20 0 DBADRM Cn1nnc(Cn2cc(-c3nnn[n-]3)c3ccsc3c2=O)n1 ZINC001581844926 1020850354 /nfs/dbraw/zinc/85/03/54/1020850354.db2.gz PZRLBKZBYQRWQV-UHFFFAOYSA-N -1 0 315.322 -0.185 20 0 DBADRM NC(=O)Nc1ccc(C(=O)Cn2cc(-c3nnn[n-]3)nn2)cc1 ZINC001581898982 1020856569 /nfs/dbraw/zinc/85/65/69/1020856569.db2.gz WQGWPYOPTAABLV-UHFFFAOYSA-N -1 0 313.281 -0.168 20 0 DBADRM O=C(C1CC1)N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001581923999 1020860315 /nfs/dbraw/zinc/86/03/15/1020860315.db2.gz JTRPXMJDAALPGH-UHFFFAOYSA-N -1 0 300.326 -0.285 20 0 DBADRM O=C(CC1CC1)N[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001581971469 1020865687 /nfs/dbraw/zinc/86/56/87/1020865687.db2.gz CBIVCFADDPWGCK-AOOOYVTPSA-N -1 0 314.353 -0.062 20 0 DBADRM O=C(CCC(F)F)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001582017270 1020869618 /nfs/dbraw/zinc/86/96/18/1020869618.db2.gz ALDZEUNYJNYFEC-UHFFFAOYSA-N -1 0 312.284 -0.348 20 0 DBADRM O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1C[C@H](O)[C@H](CO)C1 ZINC001582057496 1020872216 /nfs/dbraw/zinc/87/22/16/1020872216.db2.gz INQXJYIWKGPTKD-STQMWFEESA-N -1 0 317.349 -0.389 20 0 DBADRM O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1C[C@H](CO)[C@H](O)C1 ZINC001582057493 1020872986 /nfs/dbraw/zinc/87/29/86/1020872986.db2.gz INQXJYIWKGPTKD-CHWSQXEVSA-N -1 0 317.349 -0.389 20 0 DBADRM C[C@@H](CN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC1 ZINC001510646791 1020873189 /nfs/dbraw/zinc/87/31/89/1020873189.db2.gz COGDNPBAFGPWRK-QMMMGPOBSA-N -1 0 323.353 -0.412 20 0 DBADRM O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NCC1CCC1 ZINC001582083514 1020874645 /nfs/dbraw/zinc/87/46/45/1020874645.db2.gz JHDQBNYRWROREG-UHFFFAOYSA-N -1 0 319.325 -0.565 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)N[C@@H]1COCC[C@H]1O ZINC001582129142 1020879221 /nfs/dbraw/zinc/87/92/21/1020879221.db2.gz VKJDFDDJAHTHIF-VXGBXAGGSA-N -1 0 319.321 -0.489 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)N1C[C@H](CO)[C@H](O)C1 ZINC001582129170 1020879254 /nfs/dbraw/zinc/87/92/54/1020879254.db2.gz WCJRQWXXMIGSMX-ZYHUDNBSSA-N -1 0 319.321 -0.943 20 0 DBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)Nn1c(=O)[n-][nH]c1=O ZINC001582129440 1020879339 /nfs/dbraw/zinc/87/93/39/1020879339.db2.gz IIGOPMGQKKJWOO-UHFFFAOYSA-N -1 0 318.253 -0.982 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N[C@]12C[C@H]1CCC2 ZINC001582187644 1020884050 /nfs/dbraw/zinc/88/40/50/1020884050.db2.gz LGMNHYHUTFOKIE-FUXBKTLASA-N -1 0 317.309 -0.812 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)Nc1ccsn1 ZINC001582187941 1020884084 /nfs/dbraw/zinc/88/40/84/1020884084.db2.gz ALALCGFGHVADLQ-UHFFFAOYSA-N -1 0 320.294 -0.776 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)Nc1ccsc1 ZINC001582188392 1020884428 /nfs/dbraw/zinc/88/44/28/1020884428.db2.gz MLERJLMAHAIQMD-UHFFFAOYSA-N -1 0 319.306 -0.171 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H](CO)CC1CCCC1 ZINC001582198065 1020885555 /nfs/dbraw/zinc/88/55/55/1020885555.db2.gz LARXNEQZJVQNTA-JTQLQIEISA-N -1 0 320.357 -0.484 20 0 DBADRM O=C(N1CCc2ccc(-c3nn[nH]n3)cc21)[C@]1(O)CCOC1 ZINC001582216848 1020886515 /nfs/dbraw/zinc/88/65/15/1020886515.db2.gz JSUJYHXKSHNGTD-AWEZNQCLSA-N -1 0 301.306 -0.093 20 0 DBADRM O=C(NC[C@@H](O)c1c[nH]cn1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001582380772 1020893895 /nfs/dbraw/zinc/89/38/95/1020893895.db2.gz DDQQBRKCYQSYBO-LLVKDONJSA-N -1 0 315.293 -0.241 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)[C@@H]1CCNC1=O ZINC001582425289 1020895906 /nfs/dbraw/zinc/89/59/06/1020895906.db2.gz RQMAKDADXKLAGF-DTWKUNHWSA-N -1 0 323.353 -0.816 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001582528908 1020904723 /nfs/dbraw/zinc/90/47/23/1020904723.db2.gz SJBBNYGUNFCHND-LPEHRKFASA-N -1 0 318.341 -0.611 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cncc(Cl)c1 ZINC001582528774 1020905288 /nfs/dbraw/zinc/90/52/88/1020905288.db2.gz MVPIDWFDJIQSLJ-UHFFFAOYSA-N -1 0 319.716 -0.063 20 0 DBADRM O=C(NCc1ccc(=O)[nH]n1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001582551551 1020909959 /nfs/dbraw/zinc/90/99/59/1020909959.db2.gz PIRCILPYWFWNBU-UHFFFAOYSA-N -1 0 313.277 -0.002 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cc(F)c(-c2nn[nH]n2)c(F)c1 ZINC001582654292 1020915787 /nfs/dbraw/zinc/91/57/87/1020915787.db2.gz CXPLYBARRUYWJU-UHFFFAOYSA-N -1 0 324.207 -0.469 20 0 DBADRM O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC(c2nnn[n-]2)CC1 ZINC001582679075 1020918163 /nfs/dbraw/zinc/91/81/63/1020918163.db2.gz BIKQQRRQBXAXBG-UHFFFAOYSA-N -1 0 314.313 -0.272 20 0 DBADRM O=C(c1ccc(F)c(-c2nn[nH]n2)c1)N1C[C@@H](CO)[C@H](CO)C1 ZINC001582703017 1020919317 /nfs/dbraw/zinc/91/93/17/1020919317.db2.gz DXOXIFQEFWOTIJ-UWVGGRQHSA-N -1 0 321.312 -0.321 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CC2(C1)CNC(=O)O2 ZINC001582787080 1020923264 /nfs/dbraw/zinc/92/32/64/1020923264.db2.gz UROMHXBWXGTBHP-UHFFFAOYSA-N -1 0 316.277 -0.493 20 0 DBADRM OC[C@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@H](O)C1CCCCC1 ZINC001582813301 1020927366 /nfs/dbraw/zinc/92/73/66/1020927366.db2.gz ZWZGTVMFYRFZQM-CMPLNLGQSA-N -1 0 319.369 -0.207 20 0 DBADRM O=c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)n[nH]1 ZINC001582807272 1020927543 /nfs/dbraw/zinc/92/75/43/1020927543.db2.gz SWUCEPQOPQPWEO-UHFFFAOYSA-N -1 0 323.294 -0.566 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@H]1CCN(C)C1=O)NC(=O)c1cn[nH]n1 ZINC001582925142 1020940815 /nfs/dbraw/zinc/94/08/15/1020940815.db2.gz XWAYJOSJWHQBLY-ZJUUUORDSA-N -1 0 322.369 -0.846 20 0 DBADRM CC/C(C)=C\C(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001510921260 1020946214 /nfs/dbraw/zinc/94/62/14/1020946214.db2.gz HGNRFOJVFQTCDP-DAGBOUIGSA-N -1 0 310.354 -0.013 20 0 DBADRM C/C=C(\C)C(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001583194702 1020980183 /nfs/dbraw/zinc/98/01/83/1020980183.db2.gz AXSWWDOJTXDKDU-UEQFWHKLSA-N -1 0 307.310 -0.349 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C[C@H]1C=CCC1 ZINC001584019434 1021010497 /nfs/dbraw/zinc/01/04/97/1021010497.db2.gz CAHWTFHRPYPBNP-IUCAKERBSA-N -1 0 321.337 -0.126 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C ZINC001511133643 1021021300 /nfs/dbraw/zinc/02/13/00/1021021300.db2.gz BWKXXBVVWYFTAK-PSASIEDQSA-N -1 0 323.353 -0.721 20 0 DBADRM CC(=O)NCCCCCC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001585183079 1021049824 /nfs/dbraw/zinc/04/98/24/1021049824.db2.gz FTAIYBFFLRWWHX-NSHDSACASA-N -1 0 310.358 -0.204 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNC(=O)c2ccco2)c1[O-] ZINC001511511786 1021075335 /nfs/dbraw/zinc/07/53/35/1021075335.db2.gz BLKKATQANGJCLZ-SECBINFHSA-N -1 0 322.321 -0.120 20 0 DBADRM O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)c1c[n-]ncc1=O ZINC001586849904 1021080788 /nfs/dbraw/zinc/08/07/88/1021080788.db2.gz VBAQSOAAAJCKKB-WPPNPWJKSA-N -1 0 305.294 -0.710 20 0 DBADRM C=CC(=O)NCCNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001588466570 1021101269 /nfs/dbraw/zinc/10/12/69/1021101269.db2.gz AOUUQWAEAZLTJY-UHFFFAOYSA-N -1 0 302.294 -0.396 20 0 DBADRM CC(=O)N1CC(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001588493148 1021106360 /nfs/dbraw/zinc/10/63/60/1021106360.db2.gz VTRRVSDAMAUYQV-WBFHCKIUSA-N -1 0 310.350 -0.007 20 0 DBADRM CC(=O)N1CCO[C@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001588497109 1021106372 /nfs/dbraw/zinc/10/63/72/1021106372.db2.gz VNZBJOOGHZGMEJ-XQQFMLRXSA-N -1 0 310.350 -0.197 20 0 DBADRM CC(=O)N1CC[C@H](CN(C)C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC001588492416 1021106548 /nfs/dbraw/zinc/10/65/48/1021106548.db2.gz HTQQGTNMSAHQMR-LLVKDONJSA-N -1 0 313.354 -0.706 20 0 DBADRM CC(=O)NC[C@H]1CCCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001588501634 1021106833 /nfs/dbraw/zinc/10/68/33/1021106833.db2.gz FDEZCXOATSWKRE-LLVKDONJSA-N -1 0 306.384 -0.524 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCc2nc[nH]c2C1)[C@H](C)C(=O)[O-] ZINC001588506710 1021108394 /nfs/dbraw/zinc/10/83/94/1021108394.db2.gz NXAFUIIFSNHJIN-KOLCDFICSA-N -1 0 322.365 -0.048 20 0 DBADRM CC(=O)NCCN(C(=O)c1csc(=O)[nH]1)[C@@H](C)C(=O)[O-] ZINC001588508821 1021109023 /nfs/dbraw/zinc/10/90/23/1021109023.db2.gz SMSDCKLZTDEELX-LURJTMIESA-N -1 0 301.324 -0.100 20 0 DBADRM CC(=O)NC1CCC(N(C)CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001588503319 1021109111 /nfs/dbraw/zinc/10/91/11/1021109111.db2.gz RREJEXGULRDZRV-UHFFFAOYSA-N -1 0 320.411 -0.135 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1cncnc1)[C@@H](C)C(=O)[O-] ZINC001588506055 1021109517 /nfs/dbraw/zinc/10/95/17/1021109517.db2.gz AJDHRMLWGWFDRB-JTQLQIEISA-N -1 0 308.338 -0.153 20 0 DBADRM CC(=O)NCCN(CCS(=O)(=O)C(C)C)[C@@H](C)C(=O)[O-] ZINC001588513193 1021110129 /nfs/dbraw/zinc/11/01/29/1021110129.db2.gz IZJSSIQRWCVUKS-JTQLQIEISA-N -1 0 308.400 -0.279 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001588512701 1021110401 /nfs/dbraw/zinc/11/04/01/1021110401.db2.gz AOAGFSKZUJZHNF-UHFFFAOYSA-N -1 0 301.343 -0.802 20 0 DBADRM CC(=O)OC[C@H](CO)NC(=O)C1(C(=O)[O-])CCSCC1 ZINC001588525992 1021110914 /nfs/dbraw/zinc/11/09/14/1021110914.db2.gz HINKMKDNIMRIBQ-VIFPVBQESA-N -1 0 305.352 -0.375 20 0 DBADRM C=C/C=C/CCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001588530833 1021112458 /nfs/dbraw/zinc/11/24/58/1021112458.db2.gz UQSOMFGVSDDAAO-AATRIKPKSA-N -1 0 303.326 -0.192 20 0 DBADRM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001588552648 1021114907 /nfs/dbraw/zinc/11/49/07/1021114907.db2.gz YFJXTTKAGWCFDQ-MRVPVSSYSA-N -1 0 311.342 -0.262 20 0 DBADRM C[C@H](C(=O)NCCOCCOCC(=O)[O-])[C@H]1CCC(=O)N1 ZINC001588557587 1021114993 /nfs/dbraw/zinc/11/49/93/1021114993.db2.gz VYLSYYLAKLLUGG-VHSXEESVSA-N -1 0 302.327 -0.865 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)S(C)(=O)=O ZINC001588554780 1021115159 /nfs/dbraw/zinc/11/51/59/1021115159.db2.gz VSGOBMPZLCOSOP-BDAKNGLRSA-N -1 0 320.367 -0.999 20 0 DBADRM C[C@@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)n1nnnc1C(C)(C)C ZINC001588550706 1021115694 /nfs/dbraw/zinc/11/56/94/1021115694.db2.gz BUYABQIOXFDSCT-DTWKUNHWSA-N -1 0 311.342 -0.156 20 0 DBADRM C[C@@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)n1cnc2c1ncnc2N ZINC001588551042 1021115764 /nfs/dbraw/zinc/11/57/64/1021115764.db2.gz OEMHEOGASATUFX-YUMQZZPRSA-N -1 0 320.309 -0.719 20 0 DBADRM C[C@H](C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[C@H](C)S(C)(=O)=O ZINC001588551009 1021115811 /nfs/dbraw/zinc/11/58/11/1021115811.db2.gz MNCNJUKOOXPJOG-YVNDNENWSA-N -1 0 319.379 -0.385 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC001588571354 1021116641 /nfs/dbraw/zinc/11/66/41/1021116641.db2.gz WVTNTBPRMAEHJI-RITPCOANSA-N -1 0 320.289 -0.354 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C1CC1 ZINC001588590851 1021118511 /nfs/dbraw/zinc/11/85/11/1021118511.db2.gz ATBLGOPTYSSAEI-IONNQARKSA-N -1 0 323.309 -0.536 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1 ZINC001588568438 1021118581 /nfs/dbraw/zinc/11/85/81/1021118581.db2.gz IEEJMGGLACQZMP-MRVPVSSYSA-N -1 0 304.310 -0.259 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)CCS(=O)(=O)CC(=O)[O-] ZINC001588606957 1021119038 /nfs/dbraw/zinc/11/90/38/1021119038.db2.gz OYOIGMARCBNWBK-BDAKNGLRSA-N -1 0 315.413 -0.761 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCO[C@@H]3C[C@@H]32)n1 ZINC001588620199 1021119246 /nfs/dbraw/zinc/11/92/46/1021119246.db2.gz ORUHNOXAOLNKFA-DTWKUNHWSA-N -1 0 322.321 -0.359 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001588618361 1021119966 /nfs/dbraw/zinc/11/99/66/1021119966.db2.gz FGXRZDHWFGGNGB-UHFFFAOYSA-N -1 0 315.351 -0.413 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)c1cn(C(F)(F)CO)nn1)C1CC1 ZINC001588591503 1021120048 /nfs/dbraw/zinc/12/00/48/1021120048.db2.gz PMLKSKHTUFDBGZ-LURJTMIESA-N -1 0 304.253 -0.103 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(N2C(=O)[C@@H]3[C@@H](O)CCCN3C2=O)n1 ZINC001588619927 1021120357 /nfs/dbraw/zinc/12/03/57/1021120357.db2.gz INMPVCIALFDFQI-WPRPVWTQSA-N -1 0 322.321 -0.005 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N[C@@]2(CO)CCOC2)n1 ZINC001588622600 1021121055 /nfs/dbraw/zinc/12/10/55/1021121055.db2.gz CLNFOSCYFFYGKG-CYBMUJFWSA-N -1 0 312.326 -0.024 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NCCn2cnnn2)n1 ZINC001588626768 1021122495 /nfs/dbraw/zinc/12/24/95/1021122495.db2.gz SOYMMZGOKPMEME-UHFFFAOYSA-N -1 0 308.302 -0.489 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001588651303 1021124745 /nfs/dbraw/zinc/12/47/45/1021124745.db2.gz GQZRSOCVEVZYST-UWVGGRQHSA-N -1 0 312.322 -0.504 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001588651273 1021124755 /nfs/dbraw/zinc/12/47/55/1021124755.db2.gz FEHVDODRXIPURW-NXEZZACHSA-N -1 0 312.322 -0.504 20 0 DBADRM CC(C)(C)NS(=O)(=O)C1(CNC(=O)COCC(=O)[O-])CC1 ZINC001588665215 1021127055 /nfs/dbraw/zinc/12/70/55/1021127055.db2.gz CTAAODHQCVKLMA-UHFFFAOYSA-N -1 0 322.383 -0.546 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001588665741 1021127158 /nfs/dbraw/zinc/12/71/58/1021127158.db2.gz RAOIXTMNOSNTQB-QMMMGPOBSA-N -1 0 321.355 -0.950 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001588726158 1021127824 /nfs/dbraw/zinc/12/78/24/1021127824.db2.gz ZVFKPOFZFFYADV-RKDXNWHRSA-N -1 0 318.326 -0.816 20 0 DBADRM CC(C)(C)OC(=O)NCCn1cc(C(=O)NCC(=O)[O-])nn1 ZINC001588716966 1021127857 /nfs/dbraw/zinc/12/78/57/1021127857.db2.gz YXLQSUNHOVVLIF-UHFFFAOYSA-N -1 0 313.314 -0.383 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001588725408 1021128206 /nfs/dbraw/zinc/12/82/06/1021128206.db2.gz NINFQVYPRCFHLX-DAROEXNTSA-N -1 0 302.327 -0.149 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NCC(=O)[O-])=NO1 ZINC001588714957 1021128302 /nfs/dbraw/zinc/12/83/02/1021128302.db2.gz MVBIKTCRILNRLI-SSDOTTSWSA-N -1 0 301.299 -0.143 20 0 DBADRM CC(C)(CNC(=O)[C@@]1(C(=O)[O-])CCCO1)[C@]1(O)CCOC1 ZINC001588779354 1021129728 /nfs/dbraw/zinc/12/97/28/1021129728.db2.gz DTCSGSTZMQLACN-UONOGXRCSA-N -1 0 301.339 -0.086 20 0 DBADRM CC(C)(C)n1cc(CNC(=O)COCC(=O)[O-])c(=O)[nH]c1=O ZINC001588749236 1021130426 /nfs/dbraw/zinc/13/04/26/1021130426.db2.gz XHVCROWODSWRMK-UHFFFAOYSA-N -1 0 313.310 -0.579 20 0 DBADRM CC(C)(CNC(=O)[C@]1(C(=O)[O-])CC1(C)C)CS(N)(=O)=O ZINC001588779262 1021130561 /nfs/dbraw/zinc/13/05/61/1021130561.db2.gz AUONJBTVFQZFIS-LBPRGKRZSA-N -1 0 306.384 -0.082 20 0 DBADRM CC(C)(CNC(=O)[C@]1(C(=O)[O-])CCCO1)[C@]1(O)CCOC1 ZINC001588779350 1021130825 /nfs/dbraw/zinc/13/08/25/1021130825.db2.gz DTCSGSTZMQLACN-KBPBESRZSA-N -1 0 301.339 -0.086 20 0 DBADRM CC(C)(CCNC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1)C(=O)[O-] ZINC001588774320 1021131126 /nfs/dbraw/zinc/13/11/26/1021131126.db2.gz MKOKYTUBWXQDSC-NXEZZACHSA-N -1 0 313.354 -0.214 20 0 DBADRM CC(C)(O)CNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588795392 1021132140 /nfs/dbraw/zinc/13/21/40/1021132140.db2.gz HOURKWDMQFSAPG-SECBINFHSA-N -1 0 301.343 -0.478 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001588799592 1021132251 /nfs/dbraw/zinc/13/22/51/1021132251.db2.gz SSWONQXQUOKSCL-MNOVXSKESA-N -1 0 300.355 -0.263 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001588795192 1021132940 /nfs/dbraw/zinc/13/29/40/1021132940.db2.gz ACPXLUXNKGXMCK-CQSZACIVSA-N -1 0 300.355 -0.465 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC(O)(c2ncnn2C)CC1 ZINC001588802953 1021133401 /nfs/dbraw/zinc/13/34/01/1021133401.db2.gz FLMLORFNMUAYLM-JTQLQIEISA-N -1 0 310.354 -0.018 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC001588813952 1021134176 /nfs/dbraw/zinc/13/41/76/1021134176.db2.gz NQQYCVACJCZOKQ-GFCCVEGCSA-N -1 0 314.338 -0.375 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC001588803169 1021135193 /nfs/dbraw/zinc/13/51/93/1021135193.db2.gz NZUZDNUNIRLHDV-PRWKNARSSA-N -1 0 304.412 -0.134 20 0 DBADRM CC(=O)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001588813271 1021135704 /nfs/dbraw/zinc/13/57/04/1021135704.db2.gz VOFDJHWLVNDSEK-PSASIEDQSA-N -1 0 302.342 -0.110 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)C(=O)[O-] ZINC001588815602 1021136789 /nfs/dbraw/zinc/13/67/89/1021136789.db2.gz SUDCLUZUHLXBGS-LIBFEPKXSA-N -1 0 324.377 -0.001 20 0 DBADRM CC(C)[C@H](CNC(=O)NCCS(=O)(=O)NC1CC1)C(=O)[O-] ZINC001588824714 1021140081 /nfs/dbraw/zinc/14/00/81/1021140081.db2.gz AGTNAFGUSLGTEM-JTQLQIEISA-N -1 0 321.399 -0.276 20 0 DBADRM CN1CC[C@H](NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C1=O ZINC001588870355 1021147202 /nfs/dbraw/zinc/14/72/02/1021147202.db2.gz IMFUJEJIWZXENS-RTBKNWGFSA-N -1 0 311.338 -0.907 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)NCCOCCOCC(=O)[O-] ZINC001588921867 1021150068 /nfs/dbraw/zinc/15/00/68/1021150068.db2.gz RFATWEWSBBTBOJ-NSHDSACASA-N -1 0 316.354 -0.380 20 0 DBADRM CC(C)C(=O)NCC1=CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001512014841 1021150094 /nfs/dbraw/zinc/15/00/94/1021150094.db2.gz GPJVEZWPFQQTHN-UHFFFAOYSA-N -1 0 323.353 -0.380 20 0 DBADRM CC(C)N(C[C@@H](O)CO)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001588918909 1021150225 /nfs/dbraw/zinc/15/02/25/1021150225.db2.gz KEDPICPDIKTWDX-SECBINFHSA-N -1 0 300.315 -0.437 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1=O ZINC001588922561 1021153388 /nfs/dbraw/zinc/15/33/88/1021153388.db2.gz QWNYCRJDAYUXKR-ZJUUUORDSA-N -1 0 311.338 -0.955 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001588927525 1021154275 /nfs/dbraw/zinc/15/42/75/1021154275.db2.gz QKIDALVRDCZSLV-LBPRGKRZSA-N -1 0 321.399 -0.564 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)NCCCCC(=O)[O-] ZINC001588927494 1021154746 /nfs/dbraw/zinc/15/47/46/1021154746.db2.gz OXRXSHLZAWGJME-UHFFFAOYSA-N -1 0 309.388 -0.132 20 0 DBADRM C/C(=C/C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-])c1cnccn1 ZINC001588937702 1021155331 /nfs/dbraw/zinc/15/53/31/1021155331.db2.gz PIZKVAWFQPAKIX-YOOZJCNJSA-N -1 0 304.306 -0.366 20 0 DBADRM C[C@@H](C(=O)N(C)[C@H]1CCSC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588936764 1021160271 /nfs/dbraw/zinc/16/02/71/1021160271.db2.gz RTMNLCKAXOVOQK-YUMQZZPRSA-N -1 0 308.371 -0.017 20 0 DBADRM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)C2(F)F)n1cnc(-c2nnn[n-]2)n1 ZINC001588948917 1021161966 /nfs/dbraw/zinc/16/19/66/1021161966.db2.gz QBEMPKCPEAQFKK-QYNIQEEDSA-N -1 0 310.268 -0.257 20 0 DBADRM C[C@H](C(=O)N1CC[C@H](O)C(C)(C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588952253 1021162170 /nfs/dbraw/zinc/16/21/70/1021162170.db2.gz QPJNCTRLPVCEMQ-BDAKNGLRSA-N -1 0 320.357 -0.361 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-] ZINC001588953972 1021163253 /nfs/dbraw/zinc/16/32/53/1021163253.db2.gz UULQNZYDWATIAG-LLVKDONJSA-N -1 0 308.400 -0.263 20 0 DBADRM C[C@H](C(=O)N1CCC[C@](C)(CO)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588951616 1021163476 /nfs/dbraw/zinc/16/34/76/1021163476.db2.gz HQMBOQXNWGGRKV-RNCFNFMXSA-N -1 0 320.357 -0.360 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H]1C(C)(C)O)n1cnc(-c2nnn[n-]2)n1 ZINC001588954021 1021164252 /nfs/dbraw/zinc/16/42/52/1021164252.db2.gz FEGVKAYPVYYUTG-DTWKUNHWSA-N -1 0 320.357 -0.219 20 0 DBADRM C/C(=C\C(=O)[O-])CN1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001588949777 1021164894 /nfs/dbraw/zinc/16/48/94/1021164894.db2.gz VBOSEWAEOLBHKR-ZRDIBKRKSA-N -1 0 309.366 -0.216 20 0 DBADRM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)C2(F)F)n1cnc(-c2nnn[n-]2)n1 ZINC001588948916 1021165664 /nfs/dbraw/zinc/16/56/64/1021165664.db2.gz QBEMPKCPEAQFKK-LYFYHCNISA-N -1 0 310.268 -0.257 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCCOCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588974039 1021167700 /nfs/dbraw/zinc/16/77/00/1021167700.db2.gz XAOSBYURNJKRDJ-RKDXNWHRSA-N -1 0 306.330 -0.296 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CC12CC(O)C2)n1cnc(-c2nnn[n-]2)n1 ZINC001588973666 1021170619 /nfs/dbraw/zinc/17/06/19/1021170619.db2.gz UZVABVMQTWYJDR-IWXVTITISA-N -1 0 304.314 -0.951 20 0 DBADRM C[C@@H](C(=O)N1Cc2c[nH]nc2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588965860 1021170975 /nfs/dbraw/zinc/17/09/75/1021170975.db2.gz NEFUVURKFCAGFI-LURJTMIESA-N -1 0 300.286 -0.715 20 0 DBADRM CC(C)c1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])[nH]n1 ZINC001588963730 1021171099 /nfs/dbraw/zinc/17/10/99/1021171099.db2.gz FAYOSECRFWNLIE-JTQLQIEISA-N -1 0 315.351 -0.143 20 0 DBADRM C[C@H](C(=O)NC[C@]1(O)CCC[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001588983732 1021173973 /nfs/dbraw/zinc/17/39/73/1021173973.db2.gz JNWKOLKOEBDJOV-IGJMFERPSA-N -1 0 320.357 -0.314 20 0 DBADRM C[C@@H](CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])n1cccn1 ZINC001588988757 1021174298 /nfs/dbraw/zinc/17/42/98/1021174298.db2.gz HVLHJFKSKNMWAC-VHSXEESVSA-N -1 0 315.351 -0.456 20 0 DBADRM C[C@H](C(=O)NCCCOCC1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588991255 1021176331 /nfs/dbraw/zinc/17/63/31/1021176331.db2.gz CKNHRZJUANMDRB-SECBINFHSA-N -1 0 320.357 -0.048 20 0 DBADRM CC(C)n1ncnc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001588988361 1021176630 /nfs/dbraw/zinc/17/66/30/1021176630.db2.gz FLKWDTBMCXIRGR-SECBINFHSA-N -1 0 302.356 -0.457 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCC[C@@H]1O)n1cnc(-c2nnn[n-]2)n1 ZINC001588996631 1021178790 /nfs/dbraw/zinc/17/87/90/1021178790.db2.gz WEAYJBGZBTZNAN-HLTSFMKQSA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)CNS(=O)(=O)c1ccccc1N ZINC001588995074 1021180128 /nfs/dbraw/zinc/18/01/28/1021180128.db2.gz QPHJNJRQFOOJEN-QMMMGPOBSA-N -1 0 315.351 -0.474 20 0 DBADRM C[C@@H](C(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001588996089 1021180440 /nfs/dbraw/zinc/18/04/40/1021180440.db2.gz FMAGQDOAKWRSES-BDAKNGLRSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@@H](C(=O)NCCc1ccccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001588996031 1021180485 /nfs/dbraw/zinc/18/04/85/1021180485.db2.gz ARVVCNOVHKGSFW-VIFPVBQESA-N -1 0 313.325 -0.227 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)n1cnc(-c2nnn[n-]2)n1 ZINC001589006681 1021182044 /nfs/dbraw/zinc/18/20/44/1021182044.db2.gz MWYQRPFYDZKANP-KDXUFGMBSA-N -1 0 304.314 -0.545 20 0 DBADRM C[C@H](C(=O)OC1CCN(C#N)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001589028235 1021182440 /nfs/dbraw/zinc/18/24/40/1021182440.db2.gz UTLVQFQTOOMSPQ-MRVPVSSYSA-N -1 0 317.313 -0.492 20 0 DBADRM C[C@@H](C(=O)OCC(=O)NC(C)(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001589025820 1021182630 /nfs/dbraw/zinc/18/26/30/1021182630.db2.gz FNISWZCBDWXIRP-ZETCQYMHSA-N -1 0 322.329 -0.523 20 0 DBADRM C[C@H](C(=O)OC[C@H]1CN(C)C(=O)O1)n1cnc(-c2nnn[n-]2)n1 ZINC001589025815 1021183177 /nfs/dbraw/zinc/18/31/77/1021183177.db2.gz FLMMITXTHJPWRY-RNFRBKRXSA-N -1 0 322.285 -0.987 20 0 DBADRM C[C@H](C(=O)Nc1ccc(=O)n(C)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001589015719 1021184432 /nfs/dbraw/zinc/18/44/32/1021184432.db2.gz OVOSPOOOLXPPDA-SSDOTTSWSA-N -1 0 315.297 -0.643 20 0 DBADRM CC(=O)C1(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001589024602 1021185049 /nfs/dbraw/zinc/18/50/49/1021185049.db2.gz SNEIWKMIPCMDMS-HNNXBMFYSA-N -1 0 310.350 -0.257 20 0 DBADRM C[C@H](C(=O)OCc1cnn(C)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001589033482 1021186372 /nfs/dbraw/zinc/18/63/72/1021186372.db2.gz XNOXSYHFUUMYSB-SSDOTTSWSA-N -1 0 303.286 -0.504 20 0 DBADRM CC(=O)N[C@@H](CS[C@@H](C(=O)NC(N)=O)C(C)C)C(=O)[O-] ZINC001589157785 1021204404 /nfs/dbraw/zinc/20/44/04/1021204404.db2.gz VQVSKBQLJVAXKF-JGVFFNPUSA-N -1 0 305.356 -0.472 20 0 DBADRM CC(=O)N1CC[C@H](CN(C)C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001589063850 1021187306 /nfs/dbraw/zinc/18/73/06/1021187306.db2.gz VXBYOGSDVLHQRX-LLVKDONJSA-N -1 0 308.338 -0.092 20 0 DBADRM C[C@@H](C(=O)OCc1ccnn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001589032714 1021188270 /nfs/dbraw/zinc/18/82/70/1021188270.db2.gz QMECBCUEHCFSTE-ZETCQYMHSA-N -1 0 303.286 -0.504 20 0 DBADRM CC(=O)N1C[C@H](C(=O)NC[C@@H](O)CC(=O)[O-])Oc2ccccc21 ZINC001589056687 1021188360 /nfs/dbraw/zinc/18/83/60/1021188360.db2.gz NKFAZPBWIYTBAK-GXFFZTMASA-N -1 0 322.317 -0.248 20 0 DBADRM CC(=O)N1CC[C@H](CNS(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001589062640 1021189593 /nfs/dbraw/zinc/18/95/93/1021189593.db2.gz BLNNCHAPXQOEHZ-SNVBAGLBSA-N -1 0 306.384 -0.115 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])C1 ZINC001589086826 1021190447 /nfs/dbraw/zinc/19/04/47/1021190447.db2.gz FMMZMUJKESPGHL-SECBINFHSA-N -1 0 322.321 -0.303 20 0 DBADRM CC(=O)N1CC[C@@H](n2nnnc2N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC001589087675 1021190977 /nfs/dbraw/zinc/19/09/77/1021190977.db2.gz KMRDCISEHKZSBV-ZWNOBZJWSA-N -1 0 308.342 -0.233 20 0 DBADRM CC(=O)N1CCC(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1 ZINC001589065252 1021191835 /nfs/dbraw/zinc/19/18/35/1021191835.db2.gz OSUVSWKMBYQNDP-ZYHUDNBSSA-N -1 0 313.354 -0.526 20 0 DBADRM CC(=O)N1CCC[C@@H](CNC(=O)NCCOCC(=O)[O-])C1 ZINC001589070968 1021192149 /nfs/dbraw/zinc/19/21/49/1021192149.db2.gz QRUAWRFJOONIPE-NSHDSACASA-N -1 0 301.343 -0.355 20 0 DBADRM CC(=O)N1CCC[C@@H](CN2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)C1 ZINC001589070208 1021193038 /nfs/dbraw/zinc/19/30/38/1021193038.db2.gz KVYRLRAYEHHZEC-KKOKHZNYSA-N -1 0 323.349 -0.114 20 0 DBADRM CC(=O)N1CCC[C@@H](CNS(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC001589070458 1021193124 /nfs/dbraw/zinc/19/31/24/1021193124.db2.gz LRDWINSSPOEASG-ONGXEEELSA-N -1 0 306.384 -0.115 20 0 DBADRM CC(=O)N1CCC[C@@H](CNS(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC001589070455 1021193158 /nfs/dbraw/zinc/19/31/58/1021193158.db2.gz LRDWINSSPOEASG-KOLCDFICSA-N -1 0 306.384 -0.115 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)c2ccoc2CC(=O)[O-])CC1 ZINC001589081054 1021193227 /nfs/dbraw/zinc/19/32/27/1021193227.db2.gz IAQVBQOFKSXGMW-UHFFFAOYSA-N -1 0 323.349 -0.199 20 0 DBADRM CC(=O)N1CCN(CCNC(=S)NCCCC(=O)[O-])CC1 ZINC001589081234 1021193364 /nfs/dbraw/zinc/19/33/64/1021193364.db2.gz VCZXGOVGVAOBLP-UHFFFAOYSA-N -1 0 316.427 -0.521 20 0 DBADRM CC(=O)NCC(=O)N1CCCN(c2cncc(C(=O)[O-])n2)CC1 ZINC001589122950 1021194452 /nfs/dbraw/zinc/19/44/52/1021194452.db2.gz NWIKYUOEXDEAAH-UHFFFAOYSA-N -1 0 321.337 -0.650 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)OCC(=O)C1(C(=O)[O-])CC1 ZINC001589093941 1021194927 /nfs/dbraw/zinc/19/49/27/1021194927.db2.gz XEFRNWKRECRVLR-QMMMGPOBSA-N -1 0 301.320 -0.115 20 0 DBADRM CC(=O)NCC(=O)N1CC=C(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001589121065 1021195163 /nfs/dbraw/zinc/19/51/63/1021195163.db2.gz JGGKQKQNBHMERT-NEPJUHHUSA-N -1 0 323.349 -0.882 20 0 DBADRM CC(=O)N[C@H](C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1)C(C)C ZINC001589100582 1021195537 /nfs/dbraw/zinc/19/55/37/1021195537.db2.gz RPROMKYDVCKXSA-JQWIXIFHSA-N -1 0 323.353 -0.090 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001589097271 1021195960 /nfs/dbraw/zinc/19/59/60/1021195960.db2.gz HPWCELCMMBLSNP-IIMNLJJBSA-N -1 0 320.345 -0.090 20 0 DBADRM CC(=O)NCC(=O)N1CCCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC001589122430 1021196891 /nfs/dbraw/zinc/19/68/91/1021196891.db2.gz JPEVNRYZABZXSU-UHFFFAOYSA-N -1 0 320.349 -0.045 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001589096144 1021197117 /nfs/dbraw/zinc/19/71/17/1021197117.db2.gz PTOBCZACAHWEJB-BDAKNGLRSA-N -1 0 307.358 -0.352 20 0 DBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)NC3(C(=O)[O-])CC3)c2C1 ZINC001589128803 1021198075 /nfs/dbraw/zinc/19/80/75/1021198075.db2.gz CJKGKWLSGGBVFD-JTQLQIEISA-N -1 0 320.349 -0.071 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001589127732 1021198753 /nfs/dbraw/zinc/19/87/53/1021198753.db2.gz LWSPCGCBMUXEAZ-UHFFFAOYSA-N -1 0 309.326 -0.478 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)Cc2ccc(C(=O)[O-])nc2)CCO1 ZINC001589133590 1021198857 /nfs/dbraw/zinc/19/88/57/1021198857.db2.gz XGELHABWVVRWJL-GFCCVEGCSA-N -1 0 321.333 -0.314 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CCO1 ZINC001589133622 1021199578 /nfs/dbraw/zinc/19/95/78/1021199578.db2.gz YNYPISIRGJLEOP-VXGBXAGGSA-N -1 0 311.338 -0.294 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001589139861 1021201087 /nfs/dbraw/zinc/20/10/87/1021201087.db2.gz LGBVIWFUEMDRIQ-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM CC(=O)NC[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CC2)CCO1 ZINC001589133300 1021201448 /nfs/dbraw/zinc/20/14/48/1021201448.db2.gz LPUWNGWGICTPLW-SNVBAGLBSA-N -1 0 320.367 -0.982 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1 ZINC001589228919 1021204189 /nfs/dbraw/zinc/20/41/89/1021204189.db2.gz MBBSKGIGBHFXOD-SNVBAGLBSA-N -1 0 319.339 -0.582 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-])C(N)=O ZINC001589153450 1021205173 /nfs/dbraw/zinc/20/51/73/1021205173.db2.gz YLNYQSFUEUVZLS-MIZYBKAJSA-N -1 0 311.338 -0.922 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)Cc1noc(C(C)C)n1)C(=O)[O-] ZINC001589155804 1021205345 /nfs/dbraw/zinc/20/53/45/1021205345.db2.gz LKTBZUWONAKBFA-QMMMGPOBSA-N -1 0 319.339 -0.303 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N1CCSC[C@H]1C(=O)[O-] ZINC001589229999 1021205873 /nfs/dbraw/zinc/20/58/73/1021205873.db2.gz ZQQYHBDABPPXLS-VIFPVBQESA-N -1 0 311.381 -0.229 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N[C@@H](CCF)C(=O)[O-])n1cccn1 ZINC001589336960 1021211835 /nfs/dbraw/zinc/21/18/35/1021211835.db2.gz MHVWDBMPRICXSL-ZJUUUORDSA-N -1 0 314.317 -0.169 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1cc(C(=O)[O-])c[nH]c1=O ZINC001589338050 1021212091 /nfs/dbraw/zinc/21/20/91/1021212091.db2.gz YJTQBDKDXRRWQG-ZCFIWIBFSA-N -1 0 317.323 -0.296 20 0 DBADRM C[C@H](C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)N1CCSCC1 ZINC001589346946 1021212701 /nfs/dbraw/zinc/21/27/01/1021212701.db2.gz YZJPDIFCPUGODS-MXWKQRLJSA-N -1 0 302.396 -0.282 20 0 DBADRM C[C@H](C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)N1CCSCC1 ZINC001589346948 1021214171 /nfs/dbraw/zinc/21/41/71/1021214171.db2.gz YZJPDIFCPUGODS-VWYCJHECSA-N -1 0 302.396 -0.282 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)N1CCNCC1=O ZINC001589357165 1021221442 /nfs/dbraw/zinc/22/14/42/1021221442.db2.gz WEJBRFYDOBIMNX-VXGBXAGGSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@@H](C(=O)N1CCSC[C@@H](C(=O)[O-])C1)N1CCN(C)CC1 ZINC001589365544 1021222528 /nfs/dbraw/zinc/22/25/28/1021222528.db2.gz VNOOKQBEFAOODZ-RYUDHWBXSA-N -1 0 315.439 -0.102 20 0 DBADRM C[C@H](C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])n1cnc2c1ncnc2N ZINC001589369696 1021225100 /nfs/dbraw/zinc/22/51/00/1021225100.db2.gz YROFIDONIFFQIL-CSMHCCOUSA-N -1 0 322.300 -0.007 20 0 DBADRM C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)N1CCNCC1=O ZINC001589378566 1021226075 /nfs/dbraw/zinc/22/60/75/1021226075.db2.gz NHVJAWFFAAYNBA-ZBEGNZNMSA-N -1 0 319.361 -0.077 20 0 DBADRM C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001589389272 1021227842 /nfs/dbraw/zinc/22/78/42/1021227842.db2.gz XLQBQOGBHZQEJU-IMSYWVGJSA-N -1 0 312.322 -0.888 20 0 DBADRM CC(C)C(=O)N(C)CCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001589394130 1021230484 /nfs/dbraw/zinc/23/04/84/1021230484.db2.gz QQIYBJSQACJPGT-UHFFFAOYSA-N -1 0 304.358 -0.005 20 0 DBADRM C[C@@H](C(=O)N[C@H](CCF)C(=O)[O-])n1cnc2c1ncnc2N ZINC001589386172 1021232725 /nfs/dbraw/zinc/23/27/25/1021232725.db2.gz TVODRTPRWVHNOW-NKWVEPMBSA-N -1 0 310.289 -0.102 20 0 DBADRM C[C@@H](C(=O)N[C@H](CC1OCCO1)C(=O)[O-])N1CCSCC1 ZINC001589386451 1021234182 /nfs/dbraw/zinc/23/41/82/1021234182.db2.gz XVJRVMQUYKDYGP-VHSXEESVSA-N -1 0 318.395 -0.244 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(C(=O)N2CCCC2)CC1 ZINC001589401106 1021235056 /nfs/dbraw/zinc/23/50/56/1021235056.db2.gz REQCHXDQHWNQHU-NSHDSACASA-N -1 0 312.370 -0.591 20 0 DBADRM C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC001589413911 1021238400 /nfs/dbraw/zinc/23/84/00/1021238400.db2.gz QZPGASMYTOSGII-KCJUWKMLSA-N -1 0 315.347 -0.245 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001589401500 1021238455 /nfs/dbraw/zinc/23/84/55/1021238455.db2.gz UFKFMZBDQAOXKB-CYZMBNFOSA-N -1 0 308.334 -0.300 20 0 DBADRM C[C@@H](C(=O)NCCN(C)c1ncc(C(=O)[O-])cn1)n1cncn1 ZINC001589410210 1021240923 /nfs/dbraw/zinc/24/09/23/1021240923.db2.gz XKMYJNUPLDTOCG-VIFPVBQESA-N -1 0 319.325 -0.420 20 0 DBADRM C[C@@H](C(=O)NCCc1ccccc1C(=O)[O-])N1CCNCC1=O ZINC001589409541 1021241360 /nfs/dbraw/zinc/24/13/60/1021241360.db2.gz FMBDQCPRFJTSPA-NSHDSACASA-N -1 0 319.361 -0.136 20 0 DBADRM C[C@@H](C(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-])c1cnn(C)c1 ZINC001589429615 1021242646 /nfs/dbraw/zinc/24/26/46/1021242646.db2.gz OCERDOHJZBFAFA-SSDOTTSWSA-N -1 0 323.309 -0.045 20 0 DBADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1)N1CCNCC1=O ZINC001589424005 1021245326 /nfs/dbraw/zinc/24/53/26/1021245326.db2.gz QLTYTUQMDNJHEA-GWCFXTLKSA-N -1 0 305.334 -0.251 20 0 DBADRM C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001589434955 1021248484 /nfs/dbraw/zinc/24/84/84/1021248484.db2.gz ACDSXLCGRRADMD-VFZGTOFNSA-N -1 0 321.333 -0.366 20 0 DBADRM CC(C)C1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)COC1 ZINC001589490178 1021254595 /nfs/dbraw/zinc/25/45/95/1021254595.db2.gz IHJMXTXTOUVTKN-UHFFFAOYSA-N -1 0 306.330 -0.753 20 0 DBADRM CC(C)(C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)S(=O)(=O)C1CC1 ZINC001589560372 1021260892 /nfs/dbraw/zinc/26/08/92/1021260892.db2.gz ALDGBTVJJVNLFB-BDAKNGLRSA-N -1 0 319.379 -0.364 20 0 DBADRM CC(C)(C(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1)N1CCOCC1 ZINC001589567673 1021262321 /nfs/dbraw/zinc/26/23/21/1021262321.db2.gz SHNOBHGXKFFMMV-VXGBXAGGSA-N -1 0 314.382 -0.049 20 0 DBADRM C[C@H](C(=O)OCC(=O)NCC(=O)[O-])N(C)CC(F)(F)F ZINC001589542418 1021263639 /nfs/dbraw/zinc/26/36/39/1021263639.db2.gz AXJMMSXCRXAKAQ-ZCFIWIBFSA-N -1 0 300.233 -0.387 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)N2CC[C@@H](CO)C2)cn1 ZINC001589657110 1021266162 /nfs/dbraw/zinc/26/61/62/1021266162.db2.gz OKTIRTOODWFJGS-SECBINFHSA-N -1 0 324.337 -0.518 20 0 DBADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001589702301 1021280540 /nfs/dbraw/zinc/28/05/40/1021280540.db2.gz BHHOBOWYJVBXAN-VIFPVBQESA-N -1 0 311.338 -0.068 20 0 DBADRM CC(C)O[C@@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001589740157 1021285930 /nfs/dbraw/zinc/28/59/30/1021285930.db2.gz ZYQVZOOGQIWGCS-SNVBAGLBSA-N -1 0 320.357 -0.126 20 0 DBADRM CC(C)(C)[C@H]1CCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C[C@@H]1O ZINC001589732458 1021288395 /nfs/dbraw/zinc/28/83/95/1021288395.db2.gz NFRKGFFLTLVVLN-GUBZILKMSA-N -1 0 318.345 -0.219 20 0 DBADRM CC(C)NC(=O)[C@@H](C)OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589719738 1021290511 /nfs/dbraw/zinc/29/05/11/1021290511.db2.gz FQNCVLIUXOASIL-HTQZYQBOSA-N -1 0 322.329 -0.525 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCC3CC3)C2)c1[O-] ZINC001512904167 1021292474 /nfs/dbraw/zinc/29/24/74/1021292474.db2.gz AILHAJGPPBOBTR-GHMZBOCLSA-N -1 0 322.365 -0.085 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001589709199 1021294478 /nfs/dbraw/zinc/29/44/78/1021294478.db2.gz ABYMVIZJGZLNOS-QMMMGPOBSA-N -1 0 304.314 -0.072 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@H](CO)NCc1cn(CC(=O)[O-])nn1 ZINC001589722643 1021297420 /nfs/dbraw/zinc/29/74/20/1021297420.db2.gz LUNCWHNRCSHAHQ-KOLCDFICSA-N -1 0 300.359 -0.390 20 0 DBADRM CC(C)n1ccc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC001589783086 1021300226 /nfs/dbraw/zinc/30/02/26/1021300226.db2.gz WKPFUXLUBXWBBP-UHFFFAOYSA-N -1 0 316.329 -0.448 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001589740873 1021301031 /nfs/dbraw/zinc/30/10/31/1021301031.db2.gz NMPAYBHIAHOTOP-UHFFFAOYSA-N -1 0 300.355 -0.119 20 0 DBADRM CC(C)(C)C[C@@H](NC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC001589745243 1021303981 /nfs/dbraw/zinc/30/39/81/1021303981.db2.gz BYYALQSGNFLTRF-SECBINFHSA-N -1 0 321.337 -0.103 20 0 DBADRM C[C@@H](C1CC1)N(C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589787156 1021304910 /nfs/dbraw/zinc/30/49/10/1021304910.db2.gz QJXOPMFKYUJMNF-QMMMGPOBSA-N -1 0 305.346 -0.102 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CN1CC(F)(F)C[C@H]1C(=O)[O-] ZINC001589823717 1021307306 /nfs/dbraw/zinc/30/73/06/1021307306.db2.gz PXCBAPRCOUCHBG-QMMMGPOBSA-N -1 0 321.324 -0.189 20 0 DBADRM CC(C)(C)N1C[C@@H](C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CC1=O ZINC001589796080 1021309855 /nfs/dbraw/zinc/30/98/55/1021309855.db2.gz NBXQWUQAHMTFFC-UWVGGRQHSA-N -1 0 323.353 -0.506 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cccc(-c2nn[nH]n2)n1)c1nnn[n-]1 ZINC001589840668 1021316140 /nfs/dbraw/zinc/31/61/40/1021316140.db2.gz CVBQXGSLXPAUJN-ZETCQYMHSA-N -1 0 314.313 -0.350 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001589834880 1021316367 /nfs/dbraw/zinc/31/63/67/1021316367.db2.gz OOHRGSPFPZPXHI-LBPRGKRZSA-N -1 0 322.383 -0.546 20 0 DBADRM C[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)Cn1ccnc1 ZINC001589858329 1021322494 /nfs/dbraw/zinc/32/24/94/1021322494.db2.gz OSQZXXWWTGVVNF-VIFPVBQESA-N -1 0 316.329 -0.893 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1COCCN1CC(=O)NCC(=O)[O-] ZINC001589865702 1021324029 /nfs/dbraw/zinc/32/40/29/1021324029.db2.gz FMUHDTWMEMQSEZ-SECBINFHSA-N -1 0 302.327 -0.770 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)COCC(=O)[O-] ZINC001589865662 1021325996 /nfs/dbraw/zinc/32/59/96/1021325996.db2.gz DTRSVIXFVVQDCE-SECBINFHSA-N -1 0 303.311 -0.343 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1COCCN1CC(=O)NCC(=O)[O-] ZINC001589865703 1021328497 /nfs/dbraw/zinc/32/84/97/1021328497.db2.gz FMUHDTWMEMQSEZ-VIFPVBQESA-N -1 0 302.327 -0.770 20 0 DBADRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)[C@@H]1CCNC1=O ZINC001589878269 1021328850 /nfs/dbraw/zinc/32/88/50/1021328850.db2.gz UVPQQBBQUNWYLG-SECBINFHSA-N -1 0 314.338 -0.233 20 0 DBADRM CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1 ZINC001589910123 1021330176 /nfs/dbraw/zinc/33/01/76/1021330176.db2.gz VZKKSPIZDWHBPF-NXEZZACHSA-N -1 0 314.338 -0.100 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCOC[C@H]1CC(=O)[O-] ZINC001589889606 1021331515 /nfs/dbraw/zinc/33/15/15/1021331515.db2.gz AQCUAYRDUDRBIR-SNVBAGLBSA-N -1 0 316.354 -0.380 20 0 DBADRM CC(F)(F)CC(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001589906735 1021331718 /nfs/dbraw/zinc/33/17/18/1021331718.db2.gz GFNOCTADLHSPSZ-UHFFFAOYSA-N -1 0 312.284 -0.348 20 0 DBADRM CC(C)(C)OC(=O)N1CC(CC(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001589925097 1021337375 /nfs/dbraw/zinc/33/73/75/1021337375.db2.gz ICDKENQQDXVVBO-UHFFFAOYSA-N -1 0 314.338 -0.099 20 0 DBADRM C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)C(=O)NCCF ZINC001589944221 1021338031 /nfs/dbraw/zinc/33/80/31/1021338031.db2.gz AOTDNQNTBQKUGH-SSDOTTSWSA-N -1 0 322.300 -0.224 20 0 DBADRM C[C@@H](NC(=O)NCCn1cnc(-c2nnn[n-]2)n1)c1ccc[nH]1 ZINC001589935818 1021341020 /nfs/dbraw/zinc/34/10/20/1021341020.db2.gz MMPKFMGGKFZGHI-MRVPVSSYSA-N -1 0 316.329 -0.153 20 0 DBADRM C[C@H](Nc1ccnc(-c2nnn[n-]2)n1)C(=O)NCC(F)(F)F ZINC001589986177 1021343669 /nfs/dbraw/zinc/34/36/69/1021343669.db2.gz ZIKSBRMZGAWJDH-YFKPBYRVSA-N -1 0 316.247 -0.443 20 0 DBADRM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C1CCOCC1 ZINC001589978675 1021348441 /nfs/dbraw/zinc/34/84/41/1021348441.db2.gz XAGCKWSXOXLUKZ-SSDOTTSWSA-N -1 0 321.341 -0.107 20 0 DBADRM C[C@H](O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001589995178 1021353873 /nfs/dbraw/zinc/35/38/73/1021353873.db2.gz LDSVCVBGENLOJC-YUMQZZPRSA-N -1 0 313.339 -0.149 20 0 DBADRM C[C@H](O)[C@H]1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001589996072 1021354162 /nfs/dbraw/zinc/35/41/62/1021354162.db2.gz PREXWLWNCSFHNX-IUCAKERBSA-N -1 0 324.366 -0.347 20 0 DBADRM C[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C[C@H](C)O ZINC001589999534 1021363519 /nfs/dbraw/zinc/36/35/19/1021363519.db2.gz WXZYQUVZXHJULE-RQJHMYQMSA-N -1 0 309.330 -0.515 20 0 DBADRM C[C@@H](O)CN(C)S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001590001317 1021366684 /nfs/dbraw/zinc/36/66/84/1021366684.db2.gz XBXUTIOVUKOEGJ-ZCFIWIBFSA-N -1 0 303.369 -0.071 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@H](CO)C(=O)[O-] ZINC001590098986 1021382633 /nfs/dbraw/zinc/38/26/33/1021382633.db2.gz KZCCFJWRBQJYGB-KYXWUPHJSA-N -1 0 314.338 -0.197 20 0 DBADRM CC1(C)CC[C@H](CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)O1 ZINC001590089805 1021383204 /nfs/dbraw/zinc/38/32/04/1021383204.db2.gz VFFPGRCQNQLBLR-MRVPVSSYSA-N -1 0 306.330 -0.468 20 0 DBADRM CC1(C)C[C@@H](C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001590078710 1021383407 /nfs/dbraw/zinc/38/34/07/1021383407.db2.gz WGMKUFLJRHJSEG-VIFPVBQESA-N -1 0 320.357 -0.220 20 0 DBADRM C[C@]1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCCCO1 ZINC001590070073 1021384818 /nfs/dbraw/zinc/38/48/18/1021384818.db2.gz NJFQAODGIKWOCX-GFCCVEGCSA-N -1 0 306.330 -0.466 20 0 DBADRM C[C@]1(CO)CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590136038 1021387005 /nfs/dbraw/zinc/38/70/05/1021387005.db2.gz QALSTANQRUZEDZ-LBPRGKRZSA-N -1 0 306.330 -0.921 20 0 DBADRM CC1(C)OC[C@H]2C[C@]21NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590118513 1021392177 /nfs/dbraw/zinc/39/21/77/1021392177.db2.gz MFVMHOKERHDZPU-KRTXAFLBSA-N -1 0 304.314 -0.858 20 0 DBADRM CC(C)(C)OC(=O)NC1(C(=O)NC[C@@](C)(O)C(=O)[O-])CC1 ZINC001590125756 1021392811 /nfs/dbraw/zinc/39/28/11/1021392811.db2.gz QWVBQYWPRLCZLJ-GFCCVEGCSA-N -1 0 302.327 -0.005 20 0 DBADRM CC1(O)CCC(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001590151261 1021394564 /nfs/dbraw/zinc/39/45/64/1021394564.db2.gz ZBMNRGSMSGSNKB-UHFFFAOYSA-N -1 0 306.330 -0.732 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)OC1(C(=O)[O-])CC1 ZINC001590150583 1021395651 /nfs/dbraw/zinc/39/56/51/1021395651.db2.gz PKGBPPPLQPDQFZ-UHFFFAOYSA-N -1 0 316.310 -0.212 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H](CO)[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590168937 1021401144 /nfs/dbraw/zinc/40/11/44/1021401144.db2.gz VRWNMERYQLGHDI-UTLUCORTSA-N -1 0 320.357 -0.361 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](CO)[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590168934 1021404135 /nfs/dbraw/zinc/40/41/35/1021404135.db2.gz VRWNMERYQLGHDI-BBBLOLIVSA-N -1 0 320.357 -0.361 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001590167806 1021411021 /nfs/dbraw/zinc/41/10/21/1021411021.db2.gz PMTHLYGJXFKQKV-BNMUBRSASA-N -1 0 322.394 -0.173 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)[C@H](C)O1 ZINC001590199161 1021414690 /nfs/dbraw/zinc/41/46/90/1021414690.db2.gz JERAFVDHDVKVIS-HRDYMLBCSA-N -1 0 321.345 -0.677 20 0 DBADRM CC1CC(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001590192830 1021421386 /nfs/dbraw/zinc/42/13/86/1021421386.db2.gz GGHYKPJGGNVOBU-UHFFFAOYSA-N -1 0 305.342 -0.278 20 0 DBADRM C[C@H]1C[C@H](CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CCO1 ZINC001590193806 1021425734 /nfs/dbraw/zinc/42/57/34/1021425734.db2.gz OALAYOHKPNIESX-JGVFFNPUSA-N -1 0 321.341 -0.107 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001590215598 1021428518 /nfs/dbraw/zinc/42/85/18/1021428518.db2.gz KAPJTVPWXLSZDP-DTWKUNHWSA-N -1 0 302.342 -0.135 20 0 DBADRM C[C@@H](C(=O)N1CC(=O)CC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590218175 1021429251 /nfs/dbraw/zinc/42/92/51/1021429251.db2.gz HJBYYDDHCGVEKC-SFYZADRCSA-N -1 0 304.314 -0.401 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC001590206575 1021429319 /nfs/dbraw/zinc/42/93/19/1021429319.db2.gz OISBSRCFKUOSEE-DTWKUNHWSA-N -1 0 302.327 -0.149 20 0 DBADRM C[C@@H]1C[C@@H](NS(=O)(=O)c2cccnc2-c2nnn[n-]2)C(=O)O1 ZINC001590206350 1021429946 /nfs/dbraw/zinc/42/99/46/1021429946.db2.gz INMXOEUPAIAPKB-RNFRBKRXSA-N -1 0 324.322 -0.756 20 0 DBADRM C[C@@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)CCS1(=O)=O ZINC001590210751 1021430874 /nfs/dbraw/zinc/43/08/74/1021430874.db2.gz ZVVSSEORWBXVDC-HTQZYQBOSA-N -1 0 309.355 -0.544 20 0 DBADRM C[C@@H]1CCCN(C(=O)Cn2cncc(-c3nnn[n-]3)c2=O)C1 ZINC001590259819 1021433294 /nfs/dbraw/zinc/43/32/94/1021433294.db2.gz BVAPXPDOAAYVAF-SECBINFHSA-N -1 0 303.326 -0.318 20 0 DBADRM C[C@H]1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)CS1(=O)=O ZINC001590238279 1021433681 /nfs/dbraw/zinc/43/36/81/1021433681.db2.gz CXDVBVXKEFTPBN-JGVFFNPUSA-N -1 0 309.355 -0.544 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590234059 1021434443 /nfs/dbraw/zinc/43/44/43/1021434443.db2.gz QYSKDSKURCVIRH-RKDXNWHRSA-N -1 0 305.346 -0.054 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)NC[C@H]1COCO1 ZINC001590236535 1021435298 /nfs/dbraw/zinc/43/52/98/1021435298.db2.gz NXZWZLXXPSKHNZ-IUCAKERBSA-N -1 0 318.326 -0.157 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C[C@H]1F ZINC001590262815 1021438546 /nfs/dbraw/zinc/43/85/46/1021438546.db2.gz BMMHIPXHXUJJQW-RKDXNWHRSA-N -1 0 323.336 -0.152 20 0 DBADRM C[C@H]1CC[C@H](CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)O1 ZINC001590229573 1021439059 /nfs/dbraw/zinc/43/90/59/1021439059.db2.gz IUXJMJINYBEKDN-NKWVEPMBSA-N -1 0 307.314 -0.355 20 0 DBADRM C[C@@H]1Cn2nccc2N(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590291093 1021442732 /nfs/dbraw/zinc/44/27/32/1021442732.db2.gz IAIVBODJBWUUGU-QMMMGPOBSA-N -1 0 314.313 -0.662 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC1(C(=O)[O-])CCC1 ZINC001590274509 1021444523 /nfs/dbraw/zinc/44/45/23/1021444523.db2.gz GXFSKPHTBCFRBL-MRVPVSSYSA-N -1 0 302.327 -0.005 20 0 DBADRM C[C@@H](C(=O)N1C[C@@H](C)OC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590283137 1021444841 /nfs/dbraw/zinc/44/48/41/1021444841.db2.gz FPWQHKKFIKCISH-HLTSFMKQSA-N -1 0 306.330 -0.345 20 0 DBADRM C/C=C(\C)C(=O)N(C)C[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001514577826 1021451720 /nfs/dbraw/zinc/45/17/20/1021451720.db2.gz SHDPHPLHZTXQRY-LLGDCAAFSA-N -1 0 323.353 -0.285 20 0 DBADRM C[C@@H](C(=O)N1CCSC[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590328368 1021461071 /nfs/dbraw/zinc/46/10/71/1021461071.db2.gz YQGXWDRAICGPOJ-YUMQZZPRSA-N -1 0 308.371 -0.017 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590334021 1021461133 /nfs/dbraw/zinc/46/11/33/1021461133.db2.gz ISBYLUICKVGNIZ-JVZYCSMKSA-N -1 0 321.341 -0.110 20 0 DBADRM C[C@@H](C(=O)N1CCCOC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590326073 1021461197 /nfs/dbraw/zinc/46/11/97/1021461197.db2.gz NKOBBEWFEOJAJS-BDAKNGLRSA-N -1 0 306.330 -0.343 20 0 DBADRM C[C@@H](C(=O)O[C@H]1CCOC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590323177 1021462532 /nfs/dbraw/zinc/46/25/32/1021462532.db2.gz IULGJAINQGGZIO-VGMNWLOBSA-N -1 0 307.314 -0.013 20 0 DBADRM CC(=O)N1CC[C@@H]1CN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001514659327 1021467420 /nfs/dbraw/zinc/46/74/20/1021467420.db2.gz BVTKMRSWZBWCPP-SECBINFHSA-N -1 0 309.326 -0.705 20 0 DBADRM C[C@H]1CO[C@H](CO)CN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590323679 1021467598 /nfs/dbraw/zinc/46/75/98/1021467598.db2.gz NJHACFFCRRRHKV-WPRPVWTQSA-N -1 0 319.321 -0.206 20 0 DBADRM C/C=C(\C)C(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001590341077 1021469679 /nfs/dbraw/zinc/46/96/79/1021469679.db2.gz BUNSGIQSRUIPPR-XVNBXDOJSA-N -1 0 317.309 -0.522 20 0 DBADRM C[C@@H]1OCC[C@@]1(C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590335839 1021472288 /nfs/dbraw/zinc/47/22/88/1021472288.db2.gz OUHSPWRVVVFGNT-QPUJVOFHSA-N -1 0 321.345 -0.675 20 0 DBADRM C[C@H]1SCC[C@@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590339921 1021472359 /nfs/dbraw/zinc/47/23/59/1021472359.db2.gz ZOKDNQOQGPMZGD-RITPCOANSA-N -1 0 309.355 -0.028 20 0 DBADRM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)Cn1cncn1 ZINC001590340991 1021472633 /nfs/dbraw/zinc/47/26/33/1021472633.db2.gz GNYZQECIWGQSPV-VIFPVBQESA-N -1 0 312.326 -0.031 20 0 DBADRM C/C=C\C[C@@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590353912 1021473697 /nfs/dbraw/zinc/47/36/97/1021473697.db2.gz QRPTUMASTINKMB-AVALRIAPSA-N -1 0 307.314 -0.595 20 0 DBADRM C/C=C\C[C@H](CO)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590351597 1021474428 /nfs/dbraw/zinc/47/44/28/1021474428.db2.gz HQAJLJGSTCJQOZ-HNRDENNGSA-N -1 0 306.330 -0.538 20 0 DBADRM CC[C@H](C(=O)Nc1c[nH]nc1-c1nnn[n-]1)N1CCCC1=O ZINC001590371401 1021479072 /nfs/dbraw/zinc/47/90/72/1021479072.db2.gz YQQQXRCGKDXSKJ-MRVPVSSYSA-N -1 0 304.314 -0.071 20 0 DBADRM CC[C@@H](C)[C@H](O)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590400436 1021485552 /nfs/dbraw/zinc/48/55/52/1021485552.db2.gz QBMULCKTSJRNLK-RKDXNWHRSA-N -1 0 323.361 -0.836 20 0 DBADRM CC[C@H](C)C(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001590390576 1021487822 /nfs/dbraw/zinc/48/78/22/1021487822.db2.gz GSVPPFDBVPMUOW-ZETCQYMHSA-N -1 0 319.325 -0.442 20 0 DBADRM CC(C)(C)[C@H](NC(=O)COCc1ocnc1C(=O)[O-])C(N)=O ZINC001590440862 1021489647 /nfs/dbraw/zinc/48/96/47/1021489647.db2.gz MXCWPYSAKDESLK-SNVBAGLBSA-N -1 0 313.310 -0.094 20 0 DBADRM CC(C)(C)[S@](=O)CCNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001590426296 1021491860 /nfs/dbraw/zinc/49/18/60/1021491860.db2.gz OMFMJHWTRAEWJH-HXUWFJFHSA-N -1 0 302.356 -0.360 20 0 DBADRM CC[C@@]1(O)CCCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001590499301 1021504298 /nfs/dbraw/zinc/50/42/98/1021504298.db2.gz DDMQRYGBFVPKFA-NOZJJQNGSA-N -1 0 320.357 -0.217 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@@H](CC)CO1 ZINC001590517592 1021505318 /nfs/dbraw/zinc/50/53/18/1021505318.db2.gz GCBDEHUIONNKTL-VHSXEESVSA-N -1 0 320.357 -0.126 20 0 DBADRM CC(C)(C)c1cc2ncn(CC(=O)NCC(=O)[O-])c(=O)n2n1 ZINC001590472183 1021507756 /nfs/dbraw/zinc/50/77/56/1021507756.db2.gz LBXDOWUWBNQPBO-UHFFFAOYSA-N -1 0 307.310 -0.611 20 0 DBADRM CC[C@@H]1CN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001590517792 1021508618 /nfs/dbraw/zinc/50/86/18/1021508618.db2.gz QMIRHQRJVWDLPH-HLTSFMKQSA-N -1 0 306.330 -0.752 20 0 DBADRM CC[C@H]1CCN1C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590517488 1021509185 /nfs/dbraw/zinc/50/91/85/1021509185.db2.gz OJWBOEQFJTXVPZ-ZETCQYMHSA-N -1 0 305.298 -0.860 20 0 DBADRM CC[C@@H]1[C@@H](C)CCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001590502936 1021509246 /nfs/dbraw/zinc/50/92/46/1021509246.db2.gz UHUIQWAYVZIMDE-DTWKUNHWSA-N -1 0 319.369 -0.111 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@H](CC)CO1 ZINC001590517590 1021512545 /nfs/dbraw/zinc/51/25/45/1021512545.db2.gz GCBDEHUIONNKTL-NXEZZACHSA-N -1 0 320.357 -0.126 20 0 DBADRM CC[C@H]1CC[C@@H](C(=O)NCCn2cnc(-c3nnn[n-]3)n2)O1 ZINC001590504998 1021512954 /nfs/dbraw/zinc/51/29/54/1021512954.db2.gz NUQFTFQEPACGMC-IUCAKERBSA-N -1 0 306.330 -0.468 20 0 DBADRM CC(C)(C)n1cc(C(=O)C(=O)NCC(=O)NCC(=O)[O-])cn1 ZINC001590587713 1021517067 /nfs/dbraw/zinc/51/70/67/1021517067.db2.gz VZEPXBGTZPGXHR-UHFFFAOYSA-N -1 0 310.310 -0.862 20 0 DBADRM CCC[C@](C)(CO)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590542682 1021517656 /nfs/dbraw/zinc/51/76/56/1021517656.db2.gz DQUYLNXSFIXMQL-PRHODGIISA-N -1 0 308.346 -0.314 20 0 DBADRM CCC[C@@H](CCO)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590556664 1021519602 /nfs/dbraw/zinc/51/96/02/1021519602.db2.gz SUMRLKPSVKXCEZ-ZJUUUORDSA-N -1 0 322.373 -0.066 20 0 DBADRM CC/C=C(/F)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590531029 1021521047 /nfs/dbraw/zinc/52/10/47/1021521047.db2.gz BJUPRUBZVQUDKO-FPYGCLRLSA-N -1 0 323.288 -0.491 20 0 DBADRM CC(C)(C)n1ncnc1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001590605357 1021523873 /nfs/dbraw/zinc/52/38/73/1021523873.db2.gz ZICXEQZPUGXAJL-SECBINFHSA-N -1 0 323.353 -0.418 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N2CCC(O)(C(=O)[O-])CC2)n1 ZINC001590609567 1021529922 /nfs/dbraw/zinc/52/99/22/1021529922.db2.gz JTFAWWSAEBAXFH-UHFFFAOYSA-N -1 0 311.342 -0.591 20 0 DBADRM CC(C)(CC(=O)[O-])NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC001590641015 1021536413 /nfs/dbraw/zinc/53/64/13/1021536413.db2.gz AXQYGTWMIJKPJD-QMMMGPOBSA-N -1 0 307.372 -0.729 20 0 DBADRM CCN(C#N)CCn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O ZINC001590666110 1021537004 /nfs/dbraw/zinc/53/70/04/1021537004.db2.gz NITNQUPGZXVXRI-UHFFFAOYSA-N -1 0 317.309 -0.382 20 0 DBADRM CCN(CC)C(=O)COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590684063 1021539153 /nfs/dbraw/zinc/53/91/53/1021539153.db2.gz MLEGKJUQZHEGLY-QMMMGPOBSA-N -1 0 322.329 -0.569 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCN(C2CC2)C(=O)C1)C(=O)[O-] ZINC001590797878 1021584821 /nfs/dbraw/zinc/58/48/21/1021584821.db2.gz IGCWPTSAHARKLA-UHFFFAOYSA-N -1 0 304.368 -0.266 20 0 DBADRM CC(C)(CNC(=O)N1CCC[C@H](S(N)(=O)=O)C1)CC(=O)[O-] ZINC001590716489 1021553937 /nfs/dbraw/zinc/55/39/37/1021553937.db2.gz ALUFPPNQMIJMSR-VIFPVBQESA-N -1 0 321.399 -0.050 20 0 DBADRM CC(C)(CNC(=O)NCCN1C(=O)CNC1=O)CC(=O)[O-] ZINC001590722827 1021559230 /nfs/dbraw/zinc/55/92/30/1021559230.db2.gz FSYKITIQEHJUGA-UHFFFAOYSA-N -1 0 300.315 -0.662 20 0 DBADRM CC(C)(CNC(N)=O)NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001590757624 1021567501 /nfs/dbraw/zinc/56/75/01/1021567501.db2.gz QVLBOWIRDLXDQV-DTWKUNHWSA-N -1 0 321.399 -0.004 20 0 DBADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])nc1)CS(N)(=O)=O ZINC001590749406 1021572542 /nfs/dbraw/zinc/57/25/42/1021572542.db2.gz TWNAVBMFZHFJML-UHFFFAOYSA-N -1 0 315.351 -0.176 20 0 DBADRM CC(C)(CNS(N)(=O)=O)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001590774311 1021574148 /nfs/dbraw/zinc/57/41/48/1021574148.db2.gz PIOOEDOLVGYSSS-BDAKNGLRSA-N -1 0 321.399 -0.435 20 0 DBADRM CCOC(=O)CN(C)C(=O)COc1cnc(-c2nnn[n-]2)nc1 ZINC001590764526 1021574223 /nfs/dbraw/zinc/57/42/23/1021574223.db2.gz GZDSYNFJXYLCGU-UHFFFAOYSA-N -1 0 321.297 -0.943 20 0 DBADRM CC(C)(CO)CCCNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001590782426 1021576320 /nfs/dbraw/zinc/57/63/20/1021576320.db2.gz JCQAPWCOPAIBHC-AOOOYVTPSA-N -1 0 300.355 -0.119 20 0 DBADRM CCOC(=O)CCN(C)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590761755 1021577104 /nfs/dbraw/zinc/57/71/04/1021577104.db2.gz DLHFPAROKYKKAV-QMMMGPOBSA-N -1 0 322.329 -0.569 20 0 DBADRM CC(C)(CNS(C)(=O)=O)NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001590774297 1021578524 /nfs/dbraw/zinc/57/85/24/1021578524.db2.gz OXEHWJOVASAFTC-UHFFFAOYSA-N -1 0 318.355 -0.975 20 0 DBADRM CC(C)(CNS(N)(=O)=O)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001590774314 1021578919 /nfs/dbraw/zinc/57/89/19/1021578919.db2.gz PIOOEDOLVGYSSS-RKDXNWHRSA-N -1 0 321.399 -0.435 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCCS(=O)(=O)CC1)C(=O)[O-] ZINC001590798144 1021581305 /nfs/dbraw/zinc/58/13/05/1021581305.db2.gz MFRABMFRNIOGTK-UHFFFAOYSA-N -1 0 313.397 -0.453 20 0 DBADRM CC(C)(CS(=O)(=O)N1CCc2nc[nH]c(=O)c2C1)C(=O)[O-] ZINC001590798027 1021581575 /nfs/dbraw/zinc/58/15/75/1021581575.db2.gz IVGSHHFTLKNBPZ-UHFFFAOYSA-N -1 0 315.351 -0.019 20 0 DBADRM CCOC(OCC)[C@@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590784858 1021583266 /nfs/dbraw/zinc/58/32/66/1021583266.db2.gz FVQKEGSOKOQUJS-MRVPVSSYSA-N -1 0 324.345 -0.638 20 0 DBADRM CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590786124 1021584655 /nfs/dbraw/zinc/58/46/55/1021584655.db2.gz CHNCWULZXHANQS-XHNCKOQMSA-N -1 0 306.330 -0.755 20 0 DBADRM CC(C)(CS(=O)(=O)N1CC[C@@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC001590789341 1021585271 /nfs/dbraw/zinc/58/52/71/1021585271.db2.gz SEZXJXODGZYBIR-MRVPVSSYSA-N -1 0 313.397 -0.454 20 0 DBADRM CC(C)(CS(=O)(=O)N[C@@H]1CCc2nnnn2CC1)C(=O)[O-] ZINC001590802727 1021588837 /nfs/dbraw/zinc/58/88/37/1021588837.db2.gz FMHHIWDAFSDHHN-MRVPVSSYSA-N -1 0 317.371 -0.592 20 0 DBADRM CC(C)(CS(=O)(=O)NC1CN(c2ccncn2)C1)C(=O)[O-] ZINC001590802726 1021590230 /nfs/dbraw/zinc/59/02/30/1021590230.db2.gz FLYAMQLLEKOMNT-UHFFFAOYSA-N -1 0 314.367 -0.305 20 0 DBADRM CC(C)(CS(=O)(=O)NCCCCS(N)(=O)=O)C(=O)[O-] ZINC001590803713 1021591268 /nfs/dbraw/zinc/59/12/68/1021591268.db2.gz PPNSNIOPSNSVDW-UHFFFAOYSA-N -1 0 316.401 -0.915 20 0 DBADRM CCO[C@H]1C[C@@H](NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001590823620 1021592775 /nfs/dbraw/zinc/59/27/75/1021592775.db2.gz YZAPOBKRVIAQJQ-XHNCKOQMSA-N -1 0 306.330 -0.297 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 ZINC001590818921 1021593966 /nfs/dbraw/zinc/59/39/66/1021593966.db2.gz KSLNYEZGIZZLMC-UHFFFAOYSA-N -1 0 306.282 -0.630 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1ccnc(-c2nn[nH]n2)c1 ZINC001590819754 1021594002 /nfs/dbraw/zinc/59/40/02/1021594002.db2.gz ZRSXWFUVSQXWKQ-UHFFFAOYSA-N -1 0 306.286 -0.549 20 0 DBADRM CCOc1cc(NCCn2cnc(-c3nnn[n-]3)n2)ncn1 ZINC001590829174 1021595343 /nfs/dbraw/zinc/59/53/43/1021595343.db2.gz YDEYAIIQWKGCHL-UHFFFAOYSA-N -1 0 302.302 -0.241 20 0 DBADRM CCON(CC)C(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590817831 1021595621 /nfs/dbraw/zinc/59/56/21/1021595621.db2.gz LGYLCORNIIYBTK-UHFFFAOYSA-N -1 0 323.313 -0.681 20 0 DBADRM CCS(=O)(=O)CCn1nc(C)c(C)c(-c2nnn[n-]2)c1=O ZINC001590846233 1021597018 /nfs/dbraw/zinc/59/70/18/1021597018.db2.gz HWMWAZMMVKGEPV-UHFFFAOYSA-N -1 0 312.355 -0.525 20 0 DBADRM CC(C)(NC(=O)[C@@H]1CC[C@H](C(N)=O)O1)c1nocc1C(=O)[O-] ZINC001590858752 1021598160 /nfs/dbraw/zinc/59/81/60/1021598160.db2.gz JKGOCHDQQUFINE-SFYZADRCSA-N -1 0 311.294 -0.243 20 0 DBADRM CC(C)(NS(=O)(=O)c1ccc2c(c1)OCO2)[C@H](O)C(=O)[O-] ZINC001590879711 1021598755 /nfs/dbraw/zinc/59/87/55/1021598755.db2.gz JEUGBIRCGGNDOY-SNVBAGLBSA-N -1 0 317.319 -0.082 20 0 DBADRM CC[C@@H]1C[C@H]1NC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590860746 1021598777 /nfs/dbraw/zinc/59/87/77/1021598777.db2.gz YMHPBYYJRXUYDK-VXNVDRBHSA-N -1 0 319.325 -0.566 20 0 DBADRM CC(C)(NC(=O)[C@@H]1CC(=O)NC(=O)N1)c1cc(C(=O)[O-])on1 ZINC001590858446 1021600498 /nfs/dbraw/zinc/60/04/98/1021600498.db2.gz BGEAARUTSIXSRJ-YFKPBYRVSA-N -1 0 310.266 -0.678 20 0 DBADRM CC(C)(NS(=O)(=O)CCOCC1CCC1)[C@@H](O)C(=O)[O-] ZINC001590874657 1021601303 /nfs/dbraw/zinc/60/13/03/1021601303.db2.gz KULUVAJCKRBTQA-JTQLQIEISA-N -1 0 309.384 -0.053 20 0 DBADRM CCc1[nH]ccc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590870136 1021602337 /nfs/dbraw/zinc/60/23/37/1021602337.db2.gz BTVGMINLUGQYKP-UHFFFAOYSA-N -1 0 301.314 -0.221 20 0 DBADRM CC(C)(O)CC(=O)N[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1O ZINC001590893373 1021604428 /nfs/dbraw/zinc/60/44/28/1021604428.db2.gz GLTKPTRDLLUYNW-RKDXNWHRSA-N -1 0 324.337 -0.999 20 0 DBADRM CC(C)(O)CC(=O)N1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001590893397 1021604456 /nfs/dbraw/zinc/60/44/56/1021604456.db2.gz HJGPHJKOBXDWMA-MNOVXSKESA-N -1 0 312.366 -0.025 20 0 DBADRM CCc1cc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n[nH]1 ZINC001590882733 1021604719 /nfs/dbraw/zinc/60/47/19/1021604719.db2.gz NHKVLGCLLGYJEW-LURJTMIESA-N -1 0 302.302 -0.057 20 0 DBADRM CC(C)(O)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001590893081 1021606674 /nfs/dbraw/zinc/60/66/74/1021606674.db2.gz CWFUPVKDFJUKJG-XWLWVQCSSA-N -1 0 312.366 -0.121 20 0 DBADRM CC(C)(O)[C@@H](O)C(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001590882425 1021607289 /nfs/dbraw/zinc/60/72/89/1021607289.db2.gz DHVGWBXXCHYRKO-NEPJUHHUSA-N -1 0 309.318 -0.005 20 0 DBADRM CC(C)C(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001590931572 1021609501 /nfs/dbraw/zinc/60/95/01/1021609501.db2.gz HUXWYRUNOQKYKS-GHMZBOCLSA-N -1 0 312.366 -0.167 20 0 DBADRM CC(C)C(=O)N(C)CCOCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001590928188 1021611067 /nfs/dbraw/zinc/61/10/67/1021611067.db2.gz VTEIZEXXTYIVNY-WDEREUQCSA-N -1 0 300.355 -0.046 20 0 DBADRM CC(C)C(=O)N1CC(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)C1 ZINC001590931329 1021612278 /nfs/dbraw/zinc/61/22/78/1021612278.db2.gz FMMZDQHBPMORTR-STQMWFEESA-N -1 0 323.393 -0.282 20 0 DBADRM CCc1nn(C[C@@H]2CNC(=O)C2)c(=O)c(-c2nnn[n-]2)c1CC ZINC001590929586 1021613188 /nfs/dbraw/zinc/61/31/88/1021613188.db2.gz FDAPEEPEPJDCMT-QMMMGPOBSA-N -1 0 317.353 -0.316 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cccc(N)c2)c1=O ZINC001590949331 1021613884 /nfs/dbraw/zinc/61/38/84/1021613884.db2.gz DEANMBOAJSUTFV-UHFFFAOYSA-N -1 0 313.321 -0.160 20 0 DBADRM CC(C)C(=O)NCCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001590940091 1021613995 /nfs/dbraw/zinc/61/39/95/1021613995.db2.gz LYCXLSNIKKHWFX-SNVBAGLBSA-N -1 0 313.354 -0.802 20 0 DBADRM CC(C)C(=O)NCCNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001590940066 1021614674 /nfs/dbraw/zinc/61/46/74/1021614674.db2.gz LALVDASYGLCQDX-NXEZZACHSA-N -1 0 301.343 -0.453 20 0 DBADRM C[C@@H](COCC1CC1)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001521164808 1021614329 /nfs/dbraw/zinc/61/43/29/1021614329.db2.gz NOORCZFGBVIRQD-JTQLQIEISA-N -1 0 313.354 -0.260 20 0 DBADRM CC(C)[C@H](C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)N(C)C ZINC001590957040 1021615204 /nfs/dbraw/zinc/61/52/04/1021615204.db2.gz JJJQSRVDKGJRQS-OPQQBVKSSA-N -1 0 320.411 -0.423 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCn2cccn2)c1=O ZINC001590950241 1021617169 /nfs/dbraw/zinc/61/71/69/1021617169.db2.gz XZCFVVQGAUYJCZ-UHFFFAOYSA-N -1 0 302.298 -0.893 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2nc(C)c(C)o2)c1=O ZINC001590949347 1021617285 /nfs/dbraw/zinc/61/72/85/1021617285.db2.gz DRDDVYUPLUSHQR-UHFFFAOYSA-N -1 0 317.309 -0.137 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001590939037 1021617517 /nfs/dbraw/zinc/61/75/17/1021617517.db2.gz OPZVGVNVIIALEE-MNOVXSKESA-N -1 0 300.355 -0.263 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccnc(F)c2)c1=O ZINC001590950009 1021617727 /nfs/dbraw/zinc/61/77/27/1021617727.db2.gz WOROOKXZZBHYQL-UHFFFAOYSA-N -1 0 317.284 -0.208 20 0 DBADRM CCn1ncn([N-]C(=O)c2ccc(-c3nn[nH]n3)nc2)c1=O ZINC001590971137 1021619355 /nfs/dbraw/zinc/61/93/55/1021619355.db2.gz QETDGKFLDSNLII-UHFFFAOYSA-N -1 0 301.270 -0.976 20 0 DBADRM CCn1nc(C)c(CNCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001590965895 1021619543 /nfs/dbraw/zinc/61/95/43/1021619543.db2.gz WBNFFCOFVDDUIK-UHFFFAOYSA-N -1 0 303.334 -0.832 20 0 DBADRM CC(C)[C@@](C)(NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C(N)=O ZINC001590969135 1021620337 /nfs/dbraw/zinc/62/03/37/1021620337.db2.gz XXEFENZHWVHCQQ-LKFCYVNXSA-N -1 0 313.354 -0.674 20 0 DBADRM CCn1ncnc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590971412 1021621812 /nfs/dbraw/zinc/62/18/12/1021621812.db2.gz VQPKIAJLSDDPSR-UHFFFAOYSA-N -1 0 324.326 -0.450 20 0 DBADRM CC(C)[C@H](CCN(C)C(=O)C(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001590981539 1021622049 /nfs/dbraw/zinc/62/20/49/1021622049.db2.gz WHFZOKFYKFDDRU-VIFPVBQESA-N -1 0 323.353 -0.633 20 0 DBADRM CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001591001037 1021625660 /nfs/dbraw/zinc/62/56/60/1021625660.db2.gz CVVGVYNRUSYXOL-BXKDBHETSA-N -1 0 308.338 -0.002 20 0 DBADRM CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001591001041 1021627743 /nfs/dbraw/zinc/62/77/43/1021627743.db2.gz CVVGVYNRUSYXOL-JOYOIKCWSA-N -1 0 308.338 -0.002 20 0 DBADRM CN(C)C(=O)CCNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591002581 1021631593 /nfs/dbraw/zinc/63/15/93/1021631593.db2.gz YCDDOYNMLAUHDB-UHFFFAOYSA-N -1 0 304.310 -0.220 20 0 DBADRM CCOCCC(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001522549855 1021775220 /nfs/dbraw/zinc/77/52/20/1021775220.db2.gz CSURETRHLWUOCV-UHFFFAOYSA-N -1 0 321.337 -0.705 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)Cc2ccc(=O)[nH]c2)c1[O-] ZINC001522592844 1021805526 /nfs/dbraw/zinc/80/55/26/1021805526.db2.gz WDEFKGXFDLDJGQ-UHFFFAOYSA-N -1 0 319.321 -0.387 20 0 DBADRM O=C(NCCNC(=O)[C@H]1CCC1(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001522715926 1021848515 /nfs/dbraw/zinc/84/85/15/1021848515.db2.gz PPNCQLSIZCCODH-RXMQYKEDSA-N -1 0 317.252 -0.826 20 0 DBADRM C[C@@H]1CCC[C@@]1(C)C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001522772921 1021865396 /nfs/dbraw/zinc/86/53/96/1021865396.db2.gz MDVQFPLPPAQYQE-XLKFXECMSA-N -1 0 323.353 -0.045 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)[C@H]2CC(=O)N(C)C2)c1[O-] ZINC001522880891 1021894892 /nfs/dbraw/zinc/89/48/92/1021894892.db2.gz BHJYGEFIQVBGFH-VIFPVBQESA-N -1 0 323.353 -0.862 20 0 DBADRM CC(C)[C@@H]1C[C@@H]1C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001522973693 1021945592 /nfs/dbraw/zinc/94/55/92/1021945592.db2.gz BTICZRIHLLRRMB-IUCAKERBSA-N -1 0 323.353 -0.189 20 0 DBADRM CCCC(=O)NC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001524322670 1022237284 /nfs/dbraw/zinc/23/72/84/1022237284.db2.gz APZQXVZJYZYMPZ-VIFPVBQESA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001524474374 1022303569 /nfs/dbraw/zinc/30/35/69/1022303569.db2.gz PSCHOOIRAZFNPZ-FTLITQJKSA-N -1 0 321.337 -0.437 20 0 DBADRM O=C(CC1CC1)N[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001524481512 1022304558 /nfs/dbraw/zinc/30/45/58/1022304558.db2.gz HFZZYCVJYXOVJU-SNVBAGLBSA-N -1 0 323.353 -0.500 20 0 DBADRM O=C(NCc1ncccn1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001558210135 1023956957 /nfs/dbraw/zinc/95/69/57/1023956957.db2.gz LZZJKWQNNKEKCQ-UHFFFAOYSA-N -1 0 312.289 -0.014 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@H](NC(=O)C1CC1)[C@H](C)O ZINC001558574113 1023963455 /nfs/dbraw/zinc/96/34/55/1023963455.db2.gz YCETWIZTKBRULL-GZMMTYOYSA-N -1 0 302.327 -0.737 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@H](NS(C)(=O)=O)C(C)C ZINC001558573094 1023964200 /nfs/dbraw/zinc/96/42/00/1023964200.db2.gz MTGGCJZBONWKBX-SNVBAGLBSA-N -1 0 310.372 -0.439 20 0 DBADRM CON(C)C1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001558581999 1023966595 /nfs/dbraw/zinc/96/65/95/1023966595.db2.gz HXKYBSSKKPDXSX-UHFFFAOYSA-N -1 0 303.326 -0.608 20 0 DBADRM COC1(OC)CC(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001558850583 1023974624 /nfs/dbraw/zinc/97/46/24/1023974624.db2.gz BOVDUNSJSMPALG-UHFFFAOYSA-N -1 0 314.342 -0.015 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)NCC=CCO ZINC001561738454 1024014971 /nfs/dbraw/zinc/01/49/71/1024014971.db2.gz LJJJQPSRCWAEGI-PLNGDYQASA-N -1 0 303.340 -0.278 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001561981484 1024016260 /nfs/dbraw/zinc/01/62/60/1024016260.db2.gz AGBJTIJJQAKEGA-UHFFFAOYSA-N -1 0 315.351 -0.091 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cnc(C)c(C(=O)OC)c1 ZINC001561982047 1024017270 /nfs/dbraw/zinc/01/72/70/1024017270.db2.gz NVXDHNIUGUOCNQ-UHFFFAOYSA-N -1 0 317.323 -0.867 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC001561981999 1024018459 /nfs/dbraw/zinc/01/84/59/1024018459.db2.gz MUJHTFSZPCPKOS-UHFFFAOYSA-N -1 0 320.298 -0.432 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1ccc(OCCOC)nc1 ZINC001562800990 1024020209 /nfs/dbraw/zinc/02/02/09/1024020209.db2.gz CBOZRBNNCIICFB-UHFFFAOYSA-N -1 0 321.341 -0.143 20 0 DBADRM CO[N-]C(=O)CNC(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC001562184493 1024021497 /nfs/dbraw/zinc/02/14/97/1024021497.db2.gz ZEQNPUUOEKWUCQ-UHFFFAOYSA-N -1 0 302.312 -0.716 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)CCCc3nnn[n-]3)CC2)C1=O ZINC001565887054 1024089911 /nfs/dbraw/zinc/08/99/11/1024089911.db2.gz YOEGYSZYKSNMMA-UHFFFAOYSA-N -1 0 321.341 -0.935 20 0 DBADRM CCn1ccnc1C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001566448982 1024170374 /nfs/dbraw/zinc/17/03/74/1024170374.db2.gz YWNPTQDCVDBEBC-UHFFFAOYSA-N -1 0 307.358 -0.021 20 0 DBADRM CN(CCCNC(=O)Cc1ccn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001566453852 1024180334 /nfs/dbraw/zinc/18/03/34/1024180334.db2.gz UNIGEFXUAGXQTR-UHFFFAOYSA-N -1 0 307.358 -0.575 20 0 DBADRM NC(=O)CO[N-]C(=O)COc1ccc(Br)cn1 ZINC001566980990 1024443487 /nfs/dbraw/zinc/44/34/87/1024443487.db2.gz WVZAYEOQBUTMST-UHFFFAOYSA-N -1 0 304.100 -0.244 20 0 DBADRM CN1CCCC[C@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1=O ZINC001568081977 1024862869 /nfs/dbraw/zinc/86/28/69/1024862869.db2.gz ZWDKQVWPHGUVHM-JTQLQIEISA-N -1 0 322.369 -0.732 20 0 DBADRM CCN(CCNCc1cnn(C)n1)C(=O)c1n[nH]c(C)c1[O-] ZINC001568736209 1025000136 /nfs/dbraw/zinc/00/01/36/1025000136.db2.gz ANUPRKIGMCCKMF-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNCc2cnn(C)n2)c1[O-] ZINC001568837086 1025035975 /nfs/dbraw/zinc/03/59/75/1025035975.db2.gz WXADYKBEKPYXFY-ARJAWSKDSA-N -1 0 305.342 -0.372 20 0 DBADRM Cc1nn(C)cc1CC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001568863798 1025055416 /nfs/dbraw/zinc/05/54/16/1025055416.db2.gz KAIDZJFSKZMTAR-ARJAWSKDSA-N -1 0 319.369 -0.443 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001568885126 1025065132 /nfs/dbraw/zinc/06/51/32/1025065132.db2.gz QBKKKIYEZHBRKW-YOLVWIGZSA-N -1 0 322.369 -0.669 20 0 DBADRM CO[C@]1(C(=O)[N-]OC2CCN(C)CC2)CCS(=O)(=O)C1 ZINC001568987448 1025108929 /nfs/dbraw/zinc/10/89/29/1025108929.db2.gz OANBYWFCRCSTBT-GFCCVEGCSA-N -1 0 306.384 -0.668 20 0 DBADRM CN(CCC[NH2+]Cc1n[nH]c(=O)[n-]1)C(=O)CCc1cncn1C ZINC001569262032 1025187324 /nfs/dbraw/zinc/18/73/24/1025187324.db2.gz MQMGNQOPQQJTTL-UHFFFAOYSA-N -1 0 321.385 -0.185 20 0 DBADRM Cc1ccoc1C(=O)N(CCO)CCNCc1nc(=O)n(C)[nH]1 ZINC001569925900 1025406929 /nfs/dbraw/zinc/40/69/29/1025406929.db2.gz HLVBPNIUQTXGLB-UHFFFAOYSA-N -1 0 323.353 -0.766 20 0 DBADRM CCNC(=O)CC(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001570528768 1025639947 /nfs/dbraw/zinc/63/99/47/1025639947.db2.gz XDBRFHZHRUWVPM-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC[C@]3(CCOC3=O)C2)CC1 ZINC001571080474 1025817474 /nfs/dbraw/zinc/81/74/74/1025817474.db2.gz RMZXCZJBORDPJG-NSHDSACASA-N -1 0 303.336 -0.180 20 0 DBADRM Cc1[nH]ccc1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001571071873 1025808847 /nfs/dbraw/zinc/80/88/47/1025808847.db2.gz AVCDMKLTKJPVOO-JOYOIKCWSA-N -1 0 300.336 -0.059 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)Cc1nnc(C2CCOCC2)[nH]1 ZINC001571069811 1025808959 /nfs/dbraw/zinc/80/89/59/1025808959.db2.gz RMZSXGVBFVWMPK-MRVPVSSYSA-N -1 0 300.290 -0.220 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCC3(C2)OCCO3)CCO1 ZINC001571069458 1025809172 /nfs/dbraw/zinc/80/91/72/1025809172.db2.gz KWCHSFSRGFOXJP-ZJUUUORDSA-N -1 0 300.311 -0.223 20 0 DBADRM COC(=O)C1(O)CN(C(=O)NC[C@H](CC(=O)[O-])C2CC2)C1 ZINC001571069444 1025809581 /nfs/dbraw/zinc/80/95/81/1025809581.db2.gz KPZMMJYVJGFNDU-VIFPVBQESA-N -1 0 300.311 -0.583 20 0 DBADRM Nc1ncc(S(=O)(=O)NC[C@@H](CC2CC2)C(=O)[O-])cn1 ZINC001571072190 1025810692 /nfs/dbraw/zinc/81/06/92/1025810692.db2.gz NRXXOUMAYCALGH-MRVPVSSYSA-N -1 0 300.340 -0.162 20 0 DBADRM Cc1ncc(NC(=O)CS(=O)(=O)N(C)C)cc1C(=O)[O-] ZINC001571074951 1025811149 /nfs/dbraw/zinc/81/11/49/1025811149.db2.gz QMTMKECZDPDQJH-UHFFFAOYSA-N -1 0 301.324 -0.082 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N[C@H]2CCCS(=O)(=O)C2)n1 ZINC001571074632 1025811315 /nfs/dbraw/zinc/81/13/15/1025811315.db2.gz KQSCBYCBSCMFIP-QMMMGPOBSA-N -1 0 301.324 -0.725 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)Nc1cccnc1C(=O)[O-] ZINC001571074905 1025811374 /nfs/dbraw/zinc/81/13/74/1025811374.db2.gz NQEBLXOUYLGSDP-UHFFFAOYSA-N -1 0 301.324 0.000 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1CCOC1(C)C)C(=O)[O-] ZINC001571074746 1025811901 /nfs/dbraw/zinc/81/19/01/1025811901.db2.gz QSQPTDBXMTYEFG-XHNCKOQMSA-N -1 0 301.343 -0.169 20 0 DBADRM Cc1ncc(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])o1 ZINC001571077218 1025812125 /nfs/dbraw/zinc/81/21/25/1025812125.db2.gz WWHNEBWYOJVDKB-VIFPVBQESA-N -1 0 302.308 -0.764 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)C1=CS(=O)(=O)CCC1 ZINC001571079203 1025812600 /nfs/dbraw/zinc/81/26/00/1025812600.db2.gz ALOKEINAVPEFBQ-JTQLQIEISA-N -1 0 303.336 -0.219 20 0 DBADRM C[C@@H]1CN(C(=O)CC2SC(=N)NC2=O)C[C@@H](C(=O)[O-])O1 ZINC001571075277 1025813035 /nfs/dbraw/zinc/81/30/35/1025813035.db2.gz UCKKKKWHIAJXGT-VQVTYTSYSA-N -1 0 301.324 -0.757 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]1CO)C(=O)[O-] ZINC001571075067 1025813277 /nfs/dbraw/zinc/81/32/77/1025813277.db2.gz WKYGPUJSOIEVMZ-AXTSPUMRSA-N -1 0 301.343 -0.576 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])o1 ZINC001571077000 1025813485 /nfs/dbraw/zinc/81/34/85/1025813485.db2.gz RDHZFEJWZMBWAT-MRVPVSSYSA-N -1 0 302.308 -0.496 20 0 DBADRM Cn1cnc(S(=O)(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC001571080430 1025815802 /nfs/dbraw/zinc/81/58/02/1025815802.db2.gz QUJPJVKISFQKJA-RKDXNWHRSA-N -1 0 303.340 -0.564 20 0 DBADRM Cc1occc(=O)c1OCC(=O)Nc1ccnc(C(=O)[O-])n1 ZINC001571084013 1025816364 /nfs/dbraw/zinc/81/63/64/1025816364.db2.gz CSEYDLAUIKJVHG-UHFFFAOYSA-N -1 0 305.246 -0.124 20 0 DBADRM CS(=O)(=O)Cc1nnc(C[NH2+][C@@H]2CC[C@@H](C(=O)[O-])C2)[n-]1 ZINC001571080549 1025816633 /nfs/dbraw/zinc/81/66/33/1025816633.db2.gz XWXXDRGVBIOVGF-HTQZYQBOSA-N -1 0 302.356 -0.308 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)C(=O)OC ZINC001571084369 1025816927 /nfs/dbraw/zinc/81/69/27/1025816927.db2.gz BDLUMAKLPXTGPD-QMMMGPOBSA-N -1 0 304.324 -0.047 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cccc3n[nH]nc32)CC1=O ZINC001571080650 1025816989 /nfs/dbraw/zinc/81/69/89/1025816989.db2.gz ZJXPICQBKCAAAK-SECBINFHSA-N -1 0 303.278 -0.675 20 0 DBADRM C[C@@](CNC(=O)Cn1nnc(N)n1)(C(=O)[O-])c1ccccc1 ZINC001571084438 1025817745 /nfs/dbraw/zinc/81/77/45/1025817745.db2.gz DTFMJMBCGNKJHR-ZDUSSCGKSA-N -1 0 304.310 -0.586 20 0 DBADRM CCn1[nH]c(C)nc1=NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001571084301 1025817792 /nfs/dbraw/zinc/81/77/92/1025817792.db2.gz IJYDWHSRVSKYEQ-UHFFFAOYSA-N -1 0 305.294 -0.473 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)NC[C@H](F)C(=O)[O-] ZINC001571085444 1025819361 /nfs/dbraw/zinc/81/93/61/1025819361.db2.gz PFBCJPXYLKASCP-LURJTMIESA-N -1 0 304.230 -0.483 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1ccc2[nH]c(CO)nc2c1 ZINC001571085213 1025819540 /nfs/dbraw/zinc/81/95/40/1025819540.db2.gz WGLLTWQUUNVFDV-LLVKDONJSA-N -1 0 305.290 -0.019 20 0 DBADRM C[C@@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)C1N=NC(=O)N1C ZINC001571086684 1025820611 /nfs/dbraw/zinc/82/06/11/1025820611.db2.gz SZFHFGOMMIVKKS-ZCFIWIBFSA-N -1 0 304.328 -0.492 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001571086710 1025820622 /nfs/dbraw/zinc/82/06/22/1025820622.db2.gz UTXGUPVSQYNUSI-RGOKHQFPSA-N -1 0 304.368 -0.507 20 0 DBADRM COC[C@](C)(NCC(=O)NCC(=O)OC(C)(C)C)C(=O)[O-] ZINC001571086911 1025820867 /nfs/dbraw/zinc/82/08/67/1025820867.db2.gz YLZVNLNJAPPJIO-ZDUSSCGKSA-N -1 0 304.343 -0.476 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)c2cccnn2)C1 ZINC001571086092 1025820917 /nfs/dbraw/zinc/82/09/17/1025820917.db2.gz WSZVTMLCNZYVFH-KYXWUPHJSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])c1cccc(CC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC001571086254 1025821072 /nfs/dbraw/zinc/82/10/72/1025821072.db2.gz YRKNZZCJSQLTNU-LBPRGKRZSA-N -1 0 304.306 -0.304 20 0 DBADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Cn1nnc(N)n1)c1ccccc1 ZINC001571085799 1025821105 /nfs/dbraw/zinc/82/11/05/1025821105.db2.gz TYEUWYUYQMWXJC-GZMMTYOYSA-N -1 0 304.310 -0.167 20 0 DBADRM O=C([O-])C1(NC(=O)c2ccns2)CCS(=O)(=O)CC1 ZINC001571086380 1025821343 /nfs/dbraw/zinc/82/13/43/1025821343.db2.gz LLHZJZBQSRZJPE-UHFFFAOYSA-N -1 0 304.349 -0.095 20 0 DBADRM C[S@](=N)(=O)N1CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571086026 1025821547 /nfs/dbraw/zinc/82/15/47/1025821547.db2.gz GNCAUTWJVSNXHP-ZUNJMDCASA-N -1 0 304.372 -0.374 20 0 DBADRM CCN(C(=O)NC[C@H]1C[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001571086904 1025821600 /nfs/dbraw/zinc/82/16/00/1025821600.db2.gz YFUCBJJLILDLCH-OPRDCNLKSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CS1(=O)=O ZINC001571087699 1025822846 /nfs/dbraw/zinc/82/28/46/1025822846.db2.gz KOVWMMZFEJKOGX-QEYWKRMJSA-N -1 0 305.352 -0.300 20 0 DBADRM O=C(C[C@@H]1CCCS1(=O)=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001571088362 1025823372 /nfs/dbraw/zinc/82/33/72/1025823372.db2.gz XIOYGQPETDFYOW-CABZTGNLSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001571087585 1025823412 /nfs/dbraw/zinc/82/34/12/1025823412.db2.gz GERYLGXLBVOPCM-VHSXEESVSA-N -1 0 305.352 -0.895 20 0 DBADRM Cc1nc(CS(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])no1 ZINC001571087889 1025823553 /nfs/dbraw/zinc/82/35/53/1025823553.db2.gz NVNLMVWMLDVNJV-VXNVDRBHSA-N -1 0 305.312 -0.713 20 0 DBADRM Cc1cc(C(=O)N2CC(O)(c3ncnn3C)C2)oc1C(=O)[O-] ZINC001571091575 1025824488 /nfs/dbraw/zinc/82/44/88/1025824488.db2.gz HIZNNRNBDGBXIK-UHFFFAOYSA-N -1 0 306.278 -0.242 20 0 DBADRM COc1c[nH]c(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1=O ZINC001571091527 1025824728 /nfs/dbraw/zinc/82/47/28/1025824728.db2.gz GCETZUDLSNOQSD-VIFPVBQESA-N -1 0 306.278 -0.468 20 0 DBADRM CN1CCN(S(=O)(=O)N2CCCCC[C@H]2C(=O)[O-])CC1 ZINC001571091512 1025824888 /nfs/dbraw/zinc/82/48/88/1025824888.db2.gz DANRLYOBDMYPPR-NSHDSACASA-N -1 0 305.400 -0.192 20 0 DBADRM NC(=O)c1ccc(CC(=O)NC[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC001571091261 1025825309 /nfs/dbraw/zinc/82/53/09/1025825309.db2.gz CHHGBPZVSZIVMP-HNNXBMFYSA-N -1 0 306.318 -0.065 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1occ2c1CCOC2 ZINC001571091278 1025825412 /nfs/dbraw/zinc/82/54/12/1025825412.db2.gz CUXZXXDAHPCWIK-SNVBAGLBSA-N -1 0 306.278 -0.173 20 0 DBADRM CC1=C(C(=O)N2CCC[C@H]2CC(=O)[O-])Cn2nnnc2N1C ZINC001571092927 1025825726 /nfs/dbraw/zinc/82/57/26/1025825726.db2.gz ZJJMEDWZPUMGOB-VIFPVBQESA-N -1 0 306.326 -0.137 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])nn1 ZINC001571092995 1025825810 /nfs/dbraw/zinc/82/58/10/1025825810.db2.gz WSJIPXWREMDIFO-RQJHMYQMSA-N -1 0 306.269 -0.113 20 0 DBADRM C[C@H](C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[C@H](C)S(C)(=O)=O ZINC001571095963 1025826500 /nfs/dbraw/zinc/82/65/00/1025826500.db2.gz FIBVKUPKDKBTHU-XKNYDFJKSA-N -1 0 307.368 -0.244 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)c2cc(C(=O)[O-])on2)cc1C ZINC001571096066 1025826997 /nfs/dbraw/zinc/82/69/97/1025826997.db2.gz IZSOKUJIIRKVHZ-UHFFFAOYSA-N -1 0 307.266 -0.124 20 0 DBADRM O=C([O-])c1cc(C2CN(C(=O)NC[C@H]3CNC(=O)C3)C2)[nH]n1 ZINC001571095604 1025827288 /nfs/dbraw/zinc/82/72/88/1025827288.db2.gz ADEXNZAJYFSKKF-SSDOTTSWSA-N -1 0 307.310 -0.647 20 0 DBADRM C[C@H]([C@@H](C)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC001571095959 1025827486 /nfs/dbraw/zinc/82/74/86/1025827486.db2.gz FIBVKUPKDKBTHU-JLIMGVALSA-N -1 0 307.368 -0.244 20 0 DBADRM NC(=O)N[C@@H](CO)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001571097325 1025828355 /nfs/dbraw/zinc/82/83/55/1025828355.db2.gz ZYKNCDJAQLDVTA-AXFHLTTASA-N -1 0 307.306 -0.158 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-])[C@H](C)S(C)(=O)=O ZINC001571096562 1025828616 /nfs/dbraw/zinc/82/86/16/1025828616.db2.gz NULACWSTHVDSFM-AATLWQCWSA-N -1 0 307.368 -0.508 20 0 DBADRM CN1C[C@H](C(=O)N[C@@H](Cc2ccccc2O)C(=O)[O-])NC1=O ZINC001571097312 1025829507 /nfs/dbraw/zinc/82/95/07/1025829507.db2.gz ZIILPOPPOXJCDA-VHSXEESVSA-N -1 0 307.306 -0.472 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2cc3c([nH]c2=O)CCC[C@H]3O)C1 ZINC001571098161 1025830859 /nfs/dbraw/zinc/83/08/59/1025830859.db2.gz NJKJRJHHNWCWAH-SNVBAGLBSA-N -1 0 308.290 -0.572 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C[C@]1(O)CCCOC1 ZINC001571097420 1025830903 /nfs/dbraw/zinc/83/09/03/1025830903.db2.gz ZXGGGBWVZCVMMW-CMPLNLGQSA-N -1 0 307.368 -0.898 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H](O)c2cccnc2)C[C@H]1C(=O)[O-] ZINC001571098431 1025831125 /nfs/dbraw/zinc/83/11/25/1025831125.db2.gz SLVSWFSVXPCHSX-GMTAPVOTSA-N -1 0 308.290 -0.553 20 0 DBADRM COc1cc(C(=O)N2CC[C@H]2C(=O)[O-])ccc1OCC(N)=O ZINC001571097553 1025831362 /nfs/dbraw/zinc/83/13/62/1025831362.db2.gz ACILXDOOSNJLJY-VIFPVBQESA-N -1 0 308.290 -0.142 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001571098638 1025831507 /nfs/dbraw/zinc/83/15/07/1025831507.db2.gz WFGXMHOHKMUFGO-UANNBLPKSA-N -1 0 308.294 -0.061 20 0 DBADRM CC[C@@](COC)(NC(=O)CNC(=O)c1ccncc1)C(=O)[O-] ZINC001571101013 1025831743 /nfs/dbraw/zinc/83/17/43/1025831743.db2.gz TVCWHCDWCDTKSZ-AWEZNQCLSA-N -1 0 309.322 -0.193 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)NC1(C(=O)[O-])CCOCC1)CC2 ZINC001571101475 1025831928 /nfs/dbraw/zinc/83/19/28/1025831928.db2.gz AROVRWQQBPVUNI-JTQLQIEISA-N -1 0 308.338 -0.101 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1C(=O)[O-] ZINC001571100870 1025832417 /nfs/dbraw/zinc/83/24/17/1025832417.db2.gz QMZBERAHUOAMGM-JGVFFNPUSA-N -1 0 309.278 -0.941 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@@H]1C(=O)[O-] ZINC001571100533 1025832510 /nfs/dbraw/zinc/83/25/10/1025832510.db2.gz KEAYYLFQIFUODD-DTWKUNHWSA-N -1 0 309.278 -0.569 20 0 DBADRM COc1cnc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])c(F)c1 ZINC001571100298 1025833000 /nfs/dbraw/zinc/83/30/00/1025833000.db2.gz DPLFJLCIBOPBHJ-SECBINFHSA-N -1 0 309.257 -0.296 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001571100933 1025833148 /nfs/dbraw/zinc/83/31/48/1025833148.db2.gz RIJWXYVEAQBAOH-QMMMGPOBSA-N -1 0 309.253 -0.479 20 0 DBADRM CCc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])nn1C ZINC001571103460 1025834106 /nfs/dbraw/zinc/83/41/06/1025834106.db2.gz VYIXFMZKZKMIDV-NSHDSACASA-N -1 0 308.338 -0.212 20 0 DBADRM COC[C@](C)(NS(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1)C(=O)[O-] ZINC001571103127 1025834259 /nfs/dbraw/zinc/83/42/59/1025834259.db2.gz XEDNCTKCAGOUPI-RNSXUZJQSA-N -1 0 309.340 -0.653 20 0 DBADRM COCC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)[C@H](C)C1 ZINC001571102896 1025834340 /nfs/dbraw/zinc/83/43/40/1025834340.db2.gz QRVCEVVOGSTYIA-ZJUUUORDSA-N -1 0 308.338 -0.108 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCn2ncnc21)C(=O)[O-] ZINC001571102686 1025834823 /nfs/dbraw/zinc/83/48/23/1025834823.db2.gz PYPSJUKRXNURIC-XHNCKOQMSA-N -1 0 309.326 -0.751 20 0 DBADRM CCn1nc(C)c(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])n1 ZINC001571102303 1025835003 /nfs/dbraw/zinc/83/50/03/1025835003.db2.gz MENZLKANBBEWMN-SECBINFHSA-N -1 0 309.326 -0.588 20 0 DBADRM CCc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])nn1C ZINC001571103459 1025835091 /nfs/dbraw/zinc/83/50/91/1025835091.db2.gz VYIXFMZKZKMIDV-LLVKDONJSA-N -1 0 308.338 -0.212 20 0 DBADRM COCC(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)[C@H](C)C1 ZINC001571102890 1025835145 /nfs/dbraw/zinc/83/51/45/1025835145.db2.gz QRVCEVVOGSTYIA-NXEZZACHSA-N -1 0 308.338 -0.108 20 0 DBADRM CC[C@@H](NC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21)C(N)=O ZINC001571102612 1025835174 /nfs/dbraw/zinc/83/51/74/1025835174.db2.gz ORZKYIIHYSPSHA-HTQZYQBOSA-N -1 0 309.326 -0.021 20 0 DBADRM CC(C)OCC[C@H](O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001571106675 1025835558 /nfs/dbraw/zinc/83/55/58/1025835558.db2.gz QGGPGWPPVKZCFG-QWRGUYRKSA-N -1 0 309.384 -0.654 20 0 DBADRM C[C@@](O)(CNC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2O)C(=O)[O-] ZINC001571105993 1025835602 /nfs/dbraw/zinc/83/56/02/1025835602.db2.gz CSVAIONDPHLXQS-IINYFYTJSA-N -1 0 310.306 -0.278 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC001571105914 1025835763 /nfs/dbraw/zinc/83/57/63/1025835763.db2.gz FJUZIKMQJJCOOV-BXKDBHETSA-N -1 0 310.354 -0.256 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001571105941 1025836333 /nfs/dbraw/zinc/83/63/33/1025836333.db2.gz ANFGDRFQZUFFQP-QPUJVOFHSA-N -1 0 310.272 -0.023 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cnc2n1CCCC2)C(=O)[O-] ZINC001571103510 1025836364 /nfs/dbraw/zinc/83/63/64/1025836364.db2.gz YIGFTUMBKXHPBG-IUCAKERBSA-N -1 0 308.338 -0.073 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)c2c(C)coc2CC(=O)[O-])C1 ZINC001571107976 1025837741 /nfs/dbraw/zinc/83/77/41/1025837741.db2.gz HKNOKQDGPMFRFY-CQSZACIVSA-N -1 0 311.290 -0.035 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)n1 ZINC001571108540 1025838007 /nfs/dbraw/zinc/83/80/07/1025838007.db2.gz VSLBTPQKKSWOPK-SOCHQFKDSA-N -1 0 311.294 -0.127 20 0 DBADRM CCOC(=O)N1C[C@@H](CO)[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001571107092 1025838076 /nfs/dbraw/zinc/83/80/76/1025838076.db2.gz ZGDHQIFRNWFXHX-DTWKUNHWSA-N -1 0 310.310 -0.542 20 0 DBADRM O=C([O-])CCc1nnn(CC(=O)NC(=O)NC2CCCC2)n1 ZINC001571107104 1025838378 /nfs/dbraw/zinc/83/83/78/1025838378.db2.gz ZNINQGHXJNURQY-UHFFFAOYSA-N -1 0 310.314 -0.541 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2nnc(C)[nH]2)C[C@H]1C(=O)[O-] ZINC001571110926 1025838454 /nfs/dbraw/zinc/83/84/54/1025838454.db2.gz AEIKOHAZCZDMEA-HTQZYQBOSA-N -1 0 311.298 -0.872 20 0 DBADRM CCOc1cnc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])cn1 ZINC001571108343 1025838479 /nfs/dbraw/zinc/83/84/79/1025838479.db2.gz PAXAZSWOVSWTME-QMMMGPOBSA-N -1 0 311.294 -0.179 20 0 DBADRM COC[C@@H](CS(=O)(=O)NC1(C(=O)[O-])CCOCC1)OC ZINC001571111293 1025839613 /nfs/dbraw/zinc/83/96/13/1025839613.db2.gz IXCUBTYZWWSRPM-VIFPVBQESA-N -1 0 311.356 -0.799 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001571111313 1025839394 /nfs/dbraw/zinc/83/93/94/1025839394.db2.gz JNUJKTGDUURYHT-WDEREUQCSA-N -1 0 311.342 -0.602 20 0 DBADRM CC(C)(O)[C@@H](O)C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC001571111303 1025839790 /nfs/dbraw/zinc/83/97/90/1025839790.db2.gz JINDVLUZKUNALP-PWSUYJOCSA-N -1 0 311.334 -0.117 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001571111429 1025839941 /nfs/dbraw/zinc/83/99/41/1025839941.db2.gz KTPKONDPNHSEGI-GLXFQSAKSA-N -1 0 311.338 -0.602 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001571111105 1025840448 /nfs/dbraw/zinc/84/04/48/1025840448.db2.gz FDEAGQXDCKVNBA-TVQRCGJNSA-N -1 0 311.342 -0.465 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@H](CO)[C@@H](O)c1cccnc1 ZINC001571111018 1025840638 /nfs/dbraw/zinc/84/06/38/1025840638.db2.gz CKONYPVQMRCINE-WOPDTQHZSA-N -1 0 311.338 -0.116 20 0 DBADRM Cc1csc2ncc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c(=O)n12 ZINC001571111966 1025840740 /nfs/dbraw/zinc/84/07/40/1025840740.db2.gz UIDABSFKVDNFFC-SVRRBLITSA-N -1 0 311.319 -0.372 20 0 DBADRM CC(C)OCc1noc(CN2CC(=O)N(C)C[C@H]2C(=O)[O-])n1 ZINC001571113189 1025841606 /nfs/dbraw/zinc/84/16/06/1025841606.db2.gz XARSWZQQPBQNDS-VIFPVBQESA-N -1 0 312.326 -0.278 20 0 DBADRM COCc1nocc1C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001571113017 1025841620 /nfs/dbraw/zinc/84/16/20/1025841620.db2.gz VORPOCBCFDQFGK-YUMQZZPRSA-N -1 0 312.278 -0.233 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@@]1(CO)COCCN1 ZINC001571112388 1025842085 /nfs/dbraw/zinc/84/20/85/1025842085.db2.gz LZHMEBPCSLCEMU-CQSZACIVSA-N -1 0 312.322 -0.704 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001571116466 1025843193 /nfs/dbraw/zinc/84/31/93/1025843193.db2.gz DTSFIZSNQLAEKO-MRVPVSSYSA-N -1 0 313.397 -0.406 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)Cn1cc(C(=O)OC)cn1 ZINC001571118556 1025843369 /nfs/dbraw/zinc/84/33/69/1025843369.db2.gz GYUSZSBRCSCKDX-UHFFFAOYSA-N -1 0 313.310 -0.381 20 0 DBADRM CC1SC(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])=NC1=O ZINC001571118559 1025843750 /nfs/dbraw/zinc/84/37/50/1025843750.db2.gz GZOXCERCCBBECC-ZETCQYMHSA-N -1 0 313.335 -0.037 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])o1 ZINC001571118207 1025844239 /nfs/dbraw/zinc/84/42/39/1025844239.db2.gz AIAGLZRLVHOJLF-XVMARJQXSA-N -1 0 313.314 -0.284 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CCC(O)(CO)CC1 ZINC001571120598 1025844861 /nfs/dbraw/zinc/84/48/61/1025844861.db2.gz XTSXOUMBTDMTCB-UHFFFAOYSA-N -1 0 314.294 -0.765 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C2=CS(=O)(=O)CCC2)nn1 ZINC001571119399 1025845146 /nfs/dbraw/zinc/84/51/46/1025845146.db2.gz FGFIDPVGIQRAJB-UHFFFAOYSA-N -1 0 314.323 -0.815 20 0 DBADRM COCCN(CCC(=O)OC)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001571119046 1025845213 /nfs/dbraw/zinc/84/52/13/1025845213.db2.gz RQVOCMRHBCGJIS-UHFFFAOYSA-N -1 0 313.310 -0.381 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001571119237 1025846102 /nfs/dbraw/zinc/84/61/02/1025846102.db2.gz ZOKXSRCUUHJHKI-WPRPVWTQSA-N -1 0 313.335 -0.530 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)c3cnccn3)C2)n1 ZINC001571119670 1025846127 /nfs/dbraw/zinc/84/61/27/1025846127.db2.gz JLUCUQSLOCDQSC-SECBINFHSA-N -1 0 314.305 -0.027 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccsc1)C(N)=O ZINC001571119118 1025846318 /nfs/dbraw/zinc/84/63/18/1025846318.db2.gz VCMNROIFVPZUHV-WCBMZHEXSA-N -1 0 313.335 -0.630 20 0 DBADRM COCCN1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1=O ZINC001571122020 1025846426 /nfs/dbraw/zinc/84/64/26/1025846426.db2.gz BAEODNWNFIBCHV-WDEREUQCSA-N -1 0 314.338 -0.327 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)c2ccnc(C(=O)[O-])c2)CCC1 ZINC001571118937 1025846438 /nfs/dbraw/zinc/84/64/38/1025846438.db2.gz NEWHCARNZSDMNO-UHFFFAOYSA-N -1 0 313.335 -0.279 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)N=S(C)(C)=O)[C@](C)(C(=O)[O-])C1 ZINC001571123776 1025846956 /nfs/dbraw/zinc/84/69/56/1025846956.db2.gz WEOQIXSUJPMXLK-CBAPKCEASA-N -1 0 314.385 -0.477 20 0 DBADRM O=C([O-])[C@H](CF)NS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 ZINC001571122356 1025847311 /nfs/dbraw/zinc/84/73/11/1025847311.db2.gz DJJMLMMOERPWDT-VIFPVBQESA-N -1 0 315.282 -0.376 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCC2(O)CCC2)C[C@@H]1C(=O)[O-] ZINC001571122608 1025847387 /nfs/dbraw/zinc/84/73/87/1025847387.db2.gz HXOZGIIKGPBJES-UWVGGRQHSA-N -1 0 314.338 -0.193 20 0 DBADRM NS(=O)(=O)c1cccc(CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1 ZINC001571123940 1025847477 /nfs/dbraw/zinc/84/74/77/1025847477.db2.gz WPCVCISFFSLKMW-VXGBXAGGSA-N -1 0 314.363 -0.256 20 0 DBADRM NS(=O)(=O)c1cccc(CN2CCC[C@@H](O)[C@H]2C(=O)[O-])c1 ZINC001571123937 1025847491 /nfs/dbraw/zinc/84/74/91/1025847491.db2.gz WPCVCISFFSLKMW-NEPJUHHUSA-N -1 0 314.363 -0.256 20 0 DBADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)nc1 ZINC001571123725 1025847881 /nfs/dbraw/zinc/84/78/81/1025847881.db2.gz VPFOGZRHJCAJRB-HTQZYQBOSA-N -1 0 315.307 -0.941 20 0 DBADRM COC(=O)C1(O)CN(C(=O)NCC2(CC(=O)[O-])CCCC2)C1 ZINC001571123047 1025848157 /nfs/dbraw/zinc/84/81/57/1025848157.db2.gz LUHFXIZLMJLNRY-UHFFFAOYSA-N -1 0 314.338 -0.049 20 0 DBADRM COC(=O)C[C@@H]1COCCN1C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001571123271 1025848188 /nfs/dbraw/zinc/84/81/88/1025848188.db2.gz PLMFYXVWGROPRZ-DNRKLUKYSA-N -1 0 315.322 -0.345 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2C[C@@H]3[C@H](O)CC[C@@H]3C2)cn1 ZINC001571126289 1025848940 /nfs/dbraw/zinc/84/89/40/1025848940.db2.gz PWYWYPJWLXLKPQ-DVVUODLYSA-N -1 0 315.351 -0.641 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1c2c(nn1C)CCS(=O)(=O)C2 ZINC001571125739 1025848978 /nfs/dbraw/zinc/84/89/78/1025848978.db2.gz KQRYZJFMFNNICQ-ZETCQYMHSA-N -1 0 315.351 -0.564 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCCN1Cc1cnc(C(=O)[O-])cn1 ZINC001571124151 1025849008 /nfs/dbraw/zinc/84/90/08/1025849008.db2.gz ZXEBPLAGZRLZPJ-JTQLQIEISA-N -1 0 314.367 -0.182 20 0 DBADRM CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)[C@H](CO)C1 ZINC001571126654 1025849293 /nfs/dbraw/zinc/84/92/93/1025849293.db2.gz VCHQDJSKZWWSEL-JTQLQIEISA-N -1 0 315.351 -0.923 20 0 DBADRM O=C([O-])[C@H](CC(F)F)NS(=O)(=O)CCN1CCOC1=O ZINC001571125640 1025849412 /nfs/dbraw/zinc/84/94/12/1025849412.db2.gz HBFUEUVLGVHIRQ-LURJTMIESA-N -1 0 316.282 -0.534 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001571125509 1025849821 /nfs/dbraw/zinc/84/98/21/1025849821.db2.gz IHYOLLSWQLMQPT-NSHDSACASA-N -1 0 315.347 -0.551 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCc2cc3n(n2)CCCO3)C1 ZINC001571125843 1025849965 /nfs/dbraw/zinc/84/99/65/1025849965.db2.gz MYNVVVLSNLOWHR-WAAGHKOSSA-N -1 0 315.351 -0.052 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)Cc1csc(N2CCOCC2)n1 ZINC001571125166 1025850047 /nfs/dbraw/zinc/85/00/47/1025850047.db2.gz FBZHPIREGXWGLW-VIFPVBQESA-N -1 0 315.351 -0.916 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC001571127691 1025851158 /nfs/dbraw/zinc/85/11/58/1025851158.db2.gz CCNDTOVBDWOUGF-IUCAKERBSA-N -1 0 316.335 -0.431 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NS(=O)(=O)c1ccccn1 ZINC001571129119 1025851455 /nfs/dbraw/zinc/85/14/55/1025851455.db2.gz YSTWGWNLFGRHHT-VIFPVBQESA-N -1 0 316.335 -0.034 20 0 DBADRM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001571126824 1025851752 /nfs/dbraw/zinc/85/17/52/1025851752.db2.gz VXDPTJVHBAUTAX-XLPZGREQSA-N -1 0 315.351 -0.001 20 0 DBADRM C[C@@]1(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)CCS(=O)(=O)N1 ZINC001571131660 1025852589 /nfs/dbraw/zinc/85/25/89/1025852589.db2.gz OORQRJAYIDSVSL-DUYQIWHPSA-N -1 0 316.379 -0.316 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001571131645 1025853156 /nfs/dbraw/zinc/85/31/56/1025853156.db2.gz NZRKRTGCGWPNBJ-UHFFFAOYSA-N -1 0 316.339 -0.159 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)[C@H](C(N)=O)C1 ZINC001571131528 1025853314 /nfs/dbraw/zinc/85/33/14/1025853314.db2.gz JKKRCGJOKPIASF-XPUUQOCRSA-N -1 0 316.339 -0.618 20 0 DBADRM C[C@]1(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)CCS(=O)(=O)N1 ZINC001571131661 1025853591 /nfs/dbraw/zinc/85/35/91/1025853591.db2.gz OORQRJAYIDSVSL-WPYQSKQHSA-N -1 0 316.379 -0.316 20 0 DBADRM CC(C)(C)n1ncnc1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001571131627 1025854003 /nfs/dbraw/zinc/85/40/03/1025854003.db2.gz NLBRXRFVAGLLGG-VIFPVBQESA-N -1 0 316.383 -0.283 20 0 DBADRM CCOC(=O)C1(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC001571132866 1025854480 /nfs/dbraw/zinc/85/44/80/1025854480.db2.gz HAYNXJOUCVGNQU-UHFFFAOYSA-N -1 0 317.323 -0.271 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001571133062 1025854523 /nfs/dbraw/zinc/85/45/23/1025854523.db2.gz HAARKRPKVBSMJC-KXUCPTDWSA-N -1 0 317.363 -0.440 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@H](Nc3ncc(C(=O)[O-])cn3)C2)nn1 ZINC001571133378 1025854599 /nfs/dbraw/zinc/85/45/99/1025854599.db2.gz PNOACQGADYJUKX-KYZUINATSA-N -1 0 317.309 -0.324 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cnn2cccnc12 ZINC001571132896 1025854758 /nfs/dbraw/zinc/85/47/58/1025854758.db2.gz HHUMSFQDUXKOBK-JTQLQIEISA-N -1 0 317.305 -0.465 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C1=CS(=O)(=O)CCC1)[C@H]1CCOC1 ZINC001571133432 1025855096 /nfs/dbraw/zinc/85/50/96/1025855096.db2.gz NMOQQNDNWLBRHR-ONGXEEELSA-N -1 0 317.363 -0.068 20 0 DBADRM NC(=O)c1cccc(CN2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001571132825 1025855214 /nfs/dbraw/zinc/85/52/14/1025855214.db2.gz AOTQXFJUQZAQRU-CHWSQXEVSA-N -1 0 317.345 -0.193 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1 ZINC001571133274 1025855599 /nfs/dbraw/zinc/85/55/99/1025855599.db2.gz MSVHIZHFJFNTIL-RSVSFAPFSA-N -1 0 317.338 -0.051 20 0 DBADRM CC[C@](COC)(NCC(=O)NCC(=O)NC(C)(C)C)C(=O)[O-] ZINC001571132984 1025855604 /nfs/dbraw/zinc/85/56/04/1025855604.db2.gz DUFUNWRQEYCHAU-CQSZACIVSA-N -1 0 317.386 -0.513 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC001571133113 1025855643 /nfs/dbraw/zinc/85/56/43/1025855643.db2.gz KNFFVRKZTBNZGP-VIFPVBQESA-N -1 0 317.319 -0.125 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)nn1 ZINC001571138232 1025856525 /nfs/dbraw/zinc/85/65/25/1025856525.db2.gz SMGOHUVDKCXKKH-FJXKBIBVSA-N -1 0 318.280 -0.255 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3ccc[nH]3)C[C@H]21 ZINC001571133628 1025856825 /nfs/dbraw/zinc/85/68/25/1025856825.db2.gz RNNXMAWSYKSMBB-SSKLVLDBSA-N -1 0 317.345 -0.149 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001571137293 1025857278 /nfs/dbraw/zinc/85/72/78/1025857278.db2.gz APVNYIAPNMPVBV-MRVPVSSYSA-N -1 0 318.293 -0.125 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cn(Cc2ccccn2)nn1 ZINC001571133537 1025857337 /nfs/dbraw/zinc/85/73/37/1025857337.db2.gz RWCACYWDTRKPJH-PWSUYJOCSA-N -1 0 317.305 -0.619 20 0 DBADRM CN1C(=O)CO[C@H](C(=O)NC2(C(=O)[O-])CC2)[C@H]1c1cccnc1 ZINC001571140595 1025858405 /nfs/dbraw/zinc/85/84/05/1025858405.db2.gz GTXXCSNTIDCFAK-NEPJUHHUSA-N -1 0 319.317 -0.287 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)Cc2cncnc2)CC1 ZINC001571138875 1025858473 /nfs/dbraw/zinc/85/84/73/1025858473.db2.gz FSOLWAUBJWJZJX-NWDGAFQWSA-N -1 0 318.333 -0.589 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@@H]4C(=O)[O-])C[C@H]32)n1 ZINC001571140097 1025858605 /nfs/dbraw/zinc/85/86/05/1025858605.db2.gz PHOULEUTSIGGEN-XXFSISAASA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1nccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001571139769 1025858646 /nfs/dbraw/zinc/85/86/46/1025858646.db2.gz MHYSVYVSOSIZQK-GHMZBOCLSA-N -1 0 318.333 -0.210 20 0 DBADRM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N[C@H](Cn2cncn2)C(=O)[O-])C1 ZINC001571138939 1025858806 /nfs/dbraw/zinc/85/88/06/1025858806.db2.gz HRNZDIMMRATZTB-FBIMIBRVSA-N -1 0 318.337 -0.063 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)Cc2cncnc2)CC1 ZINC001571138876 1025858923 /nfs/dbraw/zinc/85/89/23/1025858923.db2.gz FSOLWAUBJWJZJX-RYUDHWBXSA-N -1 0 318.333 -0.589 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCc2nncn2CC1 ZINC001571140867 1025858988 /nfs/dbraw/zinc/85/89/88/1025858988.db2.gz TWBAIZINGQUKHI-MNOVXSKESA-N -1 0 318.337 -0.303 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c[nH]1 ZINC001571138899 1025859741 /nfs/dbraw/zinc/85/97/41/1025859741.db2.gz GPRGJBRIUQHAQL-IONNQARKSA-N -1 0 318.307 -0.678 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)COC(F)(F)F)C(=O)[O-] ZINC001571140396 1025859827 /nfs/dbraw/zinc/85/98/27/1025859827.db2.gz DSUOQKGMNGIQFJ-YLWLKBPMSA-N -1 0 319.257 -0.473 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)C2)n1 ZINC001571139807 1025859972 /nfs/dbraw/zinc/85/99/72/1025859972.db2.gz NJKRLAXKNKKREA-AMDHYVTDSA-N -1 0 318.333 -0.308 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001571141099 1025860224 /nfs/dbraw/zinc/86/02/24/1025860224.db2.gz LDYVYKXYMGPFDV-KXNHARMFSA-N -1 0 318.395 -0.680 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cncc(N3CCCC3=O)c2)C1 ZINC001571142894 1025860903 /nfs/dbraw/zinc/86/09/03/1025860903.db2.gz CLWOLNULDZKNLL-HNNXBMFYSA-N -1 0 319.317 -0.130 20 0 DBADRM Cc1cc(C)c(CC(=O)N[C@H](Cn2cncn2)C(=O)[O-])c(=O)[nH]1 ZINC001571142872 1025861005 /nfs/dbraw/zinc/86/10/05/1025861005.db2.gz BPYRUZIZHLLIKB-LLVKDONJSA-N -1 0 319.321 -0.192 20 0 DBADRM Cc1ocnc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001571142954 1025861087 /nfs/dbraw/zinc/86/10/87/1025861087.db2.gz FICGQDZVAZREKD-OMHSBUABSA-N -1 0 319.317 -0.110 20 0 DBADRM Cn1c(=O)oc2ccc(CN3CC(=O)N(C)C[C@H]3C(=O)[O-])cc21 ZINC001571141422 1025861134 /nfs/dbraw/zinc/86/11/34/1025861134.db2.gz OUOUISIPRUIPNB-NSHDSACASA-N -1 0 319.317 -0.141 20 0 DBADRM Cc1ocnc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001571142953 1025861148 /nfs/dbraw/zinc/86/11/48/1025861148.db2.gz FICGQDZVAZREKD-OFKSJOQMSA-N -1 0 319.317 -0.110 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001571143002 1025861354 /nfs/dbraw/zinc/86/13/54/1025861354.db2.gz HKGZLNFQMFZSJX-MRVPVSSYSA-N -1 0 319.339 -0.603 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cncc(N3CCCC3=O)c2)C1 ZINC001571142895 1025861435 /nfs/dbraw/zinc/86/14/35/1025861435.db2.gz CLWOLNULDZKNLL-OAHLLOKOSA-N -1 0 319.317 -0.130 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)C[C@@H]2CC3(CCC3)CO2)C1 ZINC001571144016 1025862116 /nfs/dbraw/zinc/86/21/16/1025862116.db2.gz DHMXAXJPXPRVLT-GWCFXTLKSA-N -1 0 319.379 -0.203 20 0 DBADRM CCOC[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CCO1 ZINC001571143159 1025862722 /nfs/dbraw/zinc/86/27/22/1025862722.db2.gz NEDQOKVCOBBHIH-MRVPVSSYSA-N -1 0 319.339 -0.466 20 0 DBADRM CC1=C(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)S(=O)(=O)CCO1 ZINC001571143344 1025862808 /nfs/dbraw/zinc/86/28/08/1025862808.db2.gz UMFMSODKPGNXFY-CBAPKCEASA-N -1 0 319.335 -0.637 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)NCCN1CCNC1=O ZINC001571144313 1025863093 /nfs/dbraw/zinc/86/30/93/1025863093.db2.gz JGAUACGJHPEZTF-UHFFFAOYSA-N -1 0 319.364 -0.250 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)C[C@H]2CC3(CCC3)CO2)C1 ZINC001571144021 1025863455 /nfs/dbraw/zinc/86/34/55/1025863455.db2.gz DHMXAXJPXPRVLT-ZWNOBZJWSA-N -1 0 319.379 -0.203 20 0 DBADRM COC(=O)C(C)(C)CCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571143294 1025863506 /nfs/dbraw/zinc/86/35/06/1025863506.db2.gz RRQMCUQFSGAUIT-UHFFFAOYSA-N -1 0 319.339 -0.025 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001571144818 1025864160 /nfs/dbraw/zinc/86/41/60/1025864160.db2.gz YKOLVQJRBLBNHL-YTWAJWBKSA-N -1 0 319.379 -0.337 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)C(=O)[O-] ZINC001571145631 1025864219 /nfs/dbraw/zinc/86/42/19/1025864219.db2.gz FEDDDCBVJWQESY-HLTSFMKQSA-N -1 0 320.342 -0.524 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001571144569 1025864433 /nfs/dbraw/zinc/86/44/33/1025864433.db2.gz PBGNTRLZUAXESB-CABZTGNLSA-N -1 0 319.379 -0.505 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001571144570 1025864520 /nfs/dbraw/zinc/86/45/20/1025864520.db2.gz PBGNTRLZUAXESB-JOYOIKCWSA-N -1 0 319.379 -0.505 20 0 DBADRM Cn1ncnc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001571144594 1025864542 /nfs/dbraw/zinc/86/45/42/1025864542.db2.gz PVQLRFMUGHSHGK-KXNHARMFSA-N -1 0 319.365 -0.289 20 0 DBADRM Cn1nncc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001571144531 1025864642 /nfs/dbraw/zinc/86/46/42/1025864642.db2.gz OBWACYNZSCIBPL-LYIQGSDWSA-N -1 0 319.365 -0.289 20 0 DBADRM C[C@@](CO)(NC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1)C(=O)[O-] ZINC001571145686 1025865342 /nfs/dbraw/zinc/86/53/42/1025865342.db2.gz GPLBQCIKYXDPMH-HOTGVXAUSA-N -1 0 320.345 -0.214 20 0 DBADRM COC(=O)CCCS(=O)(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001571158343 1025876208 /nfs/dbraw/zinc/87/62/08/1025876208.db2.gz JYBBYTMLDYEEQN-NXEZZACHSA-N -1 0 323.367 -0.404 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)C(=O)OC ZINC001571145739 1025866429 /nfs/dbraw/zinc/86/64/29/1025866429.db2.gz IWAUCPBPVUWZFY-QMMMGPOBSA-N -1 0 320.323 -0.810 20 0 DBADRM Cn1cncc1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001571146267 1025866514 /nfs/dbraw/zinc/86/65/14/1025866514.db2.gz UTRWIVIUROCGBA-DBIOUOCHSA-N -1 0 320.349 -0.235 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)c3cnns3)CC2)nc1 ZINC001571146423 1025866711 /nfs/dbraw/zinc/86/67/11/1025866711.db2.gz XSHUJNWPQYSWQN-UHFFFAOYSA-N -1 0 320.334 -0.011 20 0 DBADRM Cn1cncc1C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571145844 1025866874 /nfs/dbraw/zinc/86/68/74/1025866874.db2.gz LXVAJQUTHQLVPB-GHMZBOCLSA-N -1 0 320.349 -0.138 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2c[nH]nc2[C@@H]2CCCO2)nn1 ZINC001571145746 1025867076 /nfs/dbraw/zinc/86/70/76/1025867076.db2.gz JATWRTIYSMFLQH-JTQLQIEISA-N -1 0 320.309 -0.019 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(CCOC(=O)Cc2ccccc2)CC1=O ZINC001571146166 1025867130 /nfs/dbraw/zinc/86/71/30/1025867130.db2.gz SLPAGRFEKPDPHK-ZDUSSCGKSA-N -1 0 320.345 -0.001 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001571148987 1025868221 /nfs/dbraw/zinc/86/82/21/1025868221.db2.gz IHMMYHSRVOJVBS-BJDJZHNGSA-N -1 0 320.349 -0.385 20 0 DBADRM CC(C)(CS(=O)(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1)C(=O)[O-] ZINC001571149458 1025869320 /nfs/dbraw/zinc/86/93/20/1025869320.db2.gz XZXPSYRGSISPHP-RKDXNWHRSA-N -1 0 320.367 -0.984 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001571150941 1025870478 /nfs/dbraw/zinc/87/04/78/1025870478.db2.gz PCICMEAERSWZNA-UWVGGRQHSA-N -1 0 321.337 -0.506 20 0 DBADRM Nc1nc(C2CC2)nc(N2CCN(C(=O)CNC(=O)[O-])CC2)n1 ZINC001571150322 1025870561 /nfs/dbraw/zinc/87/05/61/1025870561.db2.gz FYJCZCDJIFTVAU-UHFFFAOYSA-N -1 0 321.341 -0.753 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)Cc2nc[nH]n2)CC1 ZINC001571151114 1025870654 /nfs/dbraw/zinc/87/06/54/1025870654.db2.gz QZWCIDRWRFDXSQ-VHSXEESVSA-N -1 0 321.337 -0.825 20 0 DBADRM Cc1cc(CC(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)no1 ZINC001571151203 1025871801 /nfs/dbraw/zinc/87/18/01/1025871801.db2.gz SINJRBDGYMRMJD-NWDGAFQWSA-N -1 0 321.333 -0.083 20 0 DBADRM COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2ncccn2)C[C@@H]1C(=O)[O-] ZINC001571152397 1025872025 /nfs/dbraw/zinc/87/20/25/1025872025.db2.gz AMOHQGHBRAYKBM-LPEHRKFASA-N -1 0 322.321 -0.391 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001571153440 1025872063 /nfs/dbraw/zinc/87/20/63/1025872063.db2.gz NNAOIGPBJKJNDJ-ZYUZMQFOSA-N -1 0 322.321 -0.595 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001571152415 1025872491 /nfs/dbraw/zinc/87/24/91/1025872491.db2.gz BEZQAIUNQBINRP-QMMMGPOBSA-N -1 0 322.277 -0.391 20 0 DBADRM COc1ccc(CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1O ZINC001571153150 1025872772 /nfs/dbraw/zinc/87/27/72/1025872772.db2.gz KNASIEURPRRVMF-SNVBAGLBSA-N -1 0 322.317 -0.255 20 0 DBADRM COc1ccc(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1O ZINC001571153149 1025872822 /nfs/dbraw/zinc/87/28/22/1025872822.db2.gz KNASIEURPRRVMF-JTQLQIEISA-N -1 0 322.317 -0.255 20 0 DBADRM Cc1nonc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001571154202 1025873722 /nfs/dbraw/zinc/87/37/22/1025873722.db2.gz VSRCMSHITGUOPL-AATLWQCWSA-N -1 0 322.321 -0.595 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnn3c2NCCC3)C[C@@H]1C(=O)[O-] ZINC001571153728 1025873834 /nfs/dbraw/zinc/87/38/34/1025873834.db2.gz QJQLLORZSPMNGP-VHSXEESVSA-N -1 0 322.321 -0.356 20 0 DBADRM Cn1cc(CNC(=O)NCc2ccc(C(=O)[O-])o2)c(=O)[nH]c1=O ZINC001571154186 1025873940 /nfs/dbraw/zinc/87/39/40/1025873940.db2.gz VHXXKODEPAIIIL-UHFFFAOYSA-N -1 0 322.277 -0.224 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnsn1 ZINC001571153823 1025874039 /nfs/dbraw/zinc/87/40/39/1025874039.db2.gz RQBCIBYFZSTALK-KUIGQIJESA-N -1 0 322.346 -0.555 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cc2n(n1)CCCC2=O ZINC001571154407 1025874113 /nfs/dbraw/zinc/87/41/13/1025874113.db2.gz YKMOZVQCVMQGJZ-UHFFFAOYSA-N -1 0 322.321 -0.430 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cc3c(cc2O)OCO3)CC1=O ZINC001571154349 1025874142 /nfs/dbraw/zinc/87/41/42/1025874142.db2.gz WLSGNQOEFIWGPH-MRVPVSSYSA-N -1 0 322.273 -0.512 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C[C@@H](O)C1(O)CCCC1 ZINC001571153880 1025874694 /nfs/dbraw/zinc/87/46/94/1025874694.db2.gz GBOIGCOTCBFVQX-WDEREUQCSA-N -1 0 321.395 -0.774 20 0 DBADRM CCC[C@@H](CCCS(C)(=O)=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001571154299 1025875045 /nfs/dbraw/zinc/87/50/45/1025875045.db2.gz KEGFKWUWPRVNBD-JTQLQIEISA-N -1 0 321.395 -0.115 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001571156485 1025875734 /nfs/dbraw/zinc/87/57/34/1025875734.db2.gz XPNHXPJLKAGEEF-GFCCVEGCSA-N -1 0 322.383 -0.577 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCc1ccc(CO)cc1)C(=O)[O-] ZINC001571158056 1025876833 /nfs/dbraw/zinc/87/68/33/1025876833.db2.gz GBXKUDKEZVHVIS-UWVGGRQHSA-N -1 0 323.349 -0.044 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001571156392 1025877069 /nfs/dbraw/zinc/87/70/69/1025877069.db2.gz USQPRTKDPMOGLO-NXEZZACHSA-N -1 0 322.383 -0.784 20 0 DBADRM COC(=O)[C@@H](CNS(=O)(=O)CCCC(=O)[O-])[C@@H]1CCOC1 ZINC001571157710 1025877084 /nfs/dbraw/zinc/87/70/84/1025877084.db2.gz APEAQOJPXFYNOL-ZJUUUORDSA-N -1 0 323.367 -0.404 20 0 DBADRM COC(=O)c1csc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])c1 ZINC001571158418 1025877089 /nfs/dbraw/zinc/87/70/89/1025877089.db2.gz MCQJQNYRUPAKAS-JTQLQIEISA-N -1 0 323.348 -0.351 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@](C)(CCF)C(=O)[O-])n[nH]1 ZINC001571159650 1025877661 /nfs/dbraw/zinc/87/76/61/1025877661.db2.gz LBBQBHMKWJRKAM-JTQLQIEISA-N -1 0 323.302 -0.323 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC001571158768 1025878056 /nfs/dbraw/zinc/87/80/56/1025878056.db2.gz RLVMJURZFGGSJZ-XHDPSFHLSA-N -1 0 323.349 -0.224 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CCn1cnnn1)Oc1ccc(F)cc1 ZINC001571159379 1025878087 /nfs/dbraw/zinc/87/80/87/1025878087.db2.gz GPIMEYBYVRTNKN-LLVKDONJSA-N -1 0 323.284 -0.149 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])c(F)c1 ZINC001571159880 1025878660 /nfs/dbraw/zinc/87/86/60/1025878660.db2.gz OJUANLGTLVYXLG-ZDUSSCGKSA-N -1 0 323.284 -0.325 20 0 DBADRM CNC(=O)NC[C@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001571158839 1025879124 /nfs/dbraw/zinc/87/91/24/1025879124.db2.gz VGXLOIWIAMZXMJ-LLVKDONJSA-N -1 0 323.353 -0.109 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2cnn(C)c(=O)c2)C[C@H]1C(=O)[O-] ZINC001571163958 1025879874 /nfs/dbraw/zinc/87/98/74/1025879874.db2.gz XVHAXQIJIPDHIV-RKDXNWHRSA-N -1 0 324.293 -0.882 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2nccn(C)c2=O)C[C@H]1C(=O)[O-] ZINC001571163623 1025880198 /nfs/dbraw/zinc/88/01/98/1025880198.db2.gz ONMJNAGDBJNWFU-SFYZADRCSA-N -1 0 324.293 -0.882 20 0 DBADRM CN(C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21)[C@@H]1COC[C@H]1O ZINC001571163449 1025880275 /nfs/dbraw/zinc/88/02/75/1025880275.db2.gz MJXRAFOIYPRQNV-GGZOMVNGSA-N -1 0 324.337 -0.183 20 0 DBADRM CC(C)(C)[C@@H](O)C[C@@H](CO)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001571161696 1025880345 /nfs/dbraw/zinc/88/03/45/1025880345.db2.gz WXFVMJXFLOFHGH-MMWGEVLESA-N -1 0 323.411 -0.073 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N[C@H](CC1OCCO1)C(=O)[O-])CC2 ZINC001571162966 1025880517 /nfs/dbraw/zinc/88/05/17/1025880517.db2.gz AIRKGARXCPZNAJ-PSASIEDQSA-N -1 0 324.337 -0.748 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccnc(OC)n2)C[C@H]1C(=O)[O-] ZINC001571163995 1025881122 /nfs/dbraw/zinc/88/11/22/1025881122.db2.gz YQDUJCUOTNYPAL-HTQZYQBOSA-N -1 0 324.293 -0.177 20 0 DBADRM CC[C@H](NC(=O)Cn1ccc(C(=O)[O-])n1)C(=O)N1CCOCC1 ZINC001571164022 1025881524 /nfs/dbraw/zinc/88/15/24/1025881524.db2.gz ZSBVCCOHGSMURM-JTQLQIEISA-N -1 0 324.337 -0.665 20 0 DBADRM C/C=C(\C)C(=O)N(C)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001571854476 1026198256 /nfs/dbraw/zinc/19/82/56/1026198256.db2.gz QSWPERYCMKAPNL-WHXYTISESA-N -1 0 311.342 -0.381 20 0 DBADRM C[C@H](CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(F)F ZINC001572067792 1026246697 /nfs/dbraw/zinc/24/66/97/1026246697.db2.gz AYZKBFMOVFKCGE-ZCFIWIBFSA-N -1 0 321.284 -0.645 20 0 DBADRM C[C@@H](CCCNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1CC1 ZINC001572070240 1026247731 /nfs/dbraw/zinc/24/77/31/1026247731.db2.gz UJSKWAKHGBFTSH-VIFPVBQESA-N -1 0 322.365 -0.089 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)[C@H]2CCNC2=O)c1[O-] ZINC001572285195 1026312076 /nfs/dbraw/zinc/31/20/76/1026312076.db2.gz NIQRGAQFGDIYRE-CBAPKCEASA-N -1 0 323.353 -0.863 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)C[C@@H]2C=CCC2)c1[O-] ZINC001572320201 1026334689 /nfs/dbraw/zinc/33/46/89/1026334689.db2.gz QPRASOWLOSKUNU-GHMZBOCLSA-N -1 0 322.365 -0.013 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)C2(C)CC=CC2)c1[O-] ZINC001572352790 1026364262 /nfs/dbraw/zinc/36/42/62/1026364262.db2.gz PSMVYXLWHWFXHZ-SNVBAGLBSA-N -1 0 322.365 -0.013 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN(C)C(=O)C2CC=CC2)c1[O-] ZINC001572466987 1026401274 /nfs/dbraw/zinc/40/12/74/1026401274.db2.gz AHUVODHOFOKWED-NSHDSACASA-N -1 0 322.365 -0.061 20 0 DBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001573381278 1026558107 /nfs/dbraw/zinc/55/81/07/1026558107.db2.gz FWPQLNTVXNKOHG-YUMQZZPRSA-N -1 0 318.355 -0.744 20 0 DBADRM CC(=O)c1cn(CC(=O)N[C@H](C(=O)[O-])C2CCOCC2)nn1 ZINC001573397895 1026561050 /nfs/dbraw/zinc/56/10/50/1026561050.db2.gz SHJPQRMFQLEDKC-LBPRGKRZSA-N -1 0 310.310 -0.523 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1)n1cncn1 ZINC001573397855 1026561521 /nfs/dbraw/zinc/56/15/21/1026561521.db2.gz BPHBDJHSRJVNKA-AOUSDQRYSA-N -1 0 314.367 -0.337 20 0 DBADRM C[C@H](C(=O)[O-])C1CN(C(=O)NCC(=O)N=S(C)(C)=O)C1 ZINC001573398044 1026561947 /nfs/dbraw/zinc/56/19/47/1026561947.db2.gz CMSWWLUMDYYJAI-ZETCQYMHSA-N -1 0 305.356 -0.397 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])C1 ZINC001573389583 1026562035 /nfs/dbraw/zinc/56/20/35/1026562035.db2.gz CDEXTFJCQZDNCK-OTYXRUKQSA-N -1 0 316.354 -0.788 20 0 DBADRM CC(=O)c1cn(CC(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])nn1 ZINC001573397248 1026562196 /nfs/dbraw/zinc/56/21/96/1026562196.db2.gz IVFDGNLPMCRCFV-UWVGGRQHSA-N -1 0 310.310 -0.381 20 0 DBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccncc1)[C@@H]1CCC(=O)N1 ZINC001573400309 1026562668 /nfs/dbraw/zinc/56/26/68/1026562668.db2.gz WLFDTBYMZPYTJQ-JBSCMGISSA-N -1 0 321.333 -0.401 20 0 DBADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccnc1)n1cncn1 ZINC001573400209 1026562920 /nfs/dbraw/zinc/56/29/20/1026562920.db2.gz VHKAVIPIDDXFFE-FBIMIBRVSA-N -1 0 305.294 -0.463 20 0 DBADRM C[C@@H](C(=O)[O-])C1CN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C1 ZINC001573399547 1026563192 /nfs/dbraw/zinc/56/31/92/1026563192.db2.gz NWIZKFWOISDAPU-RKDXNWHRSA-N -1 0 319.383 -0.919 20 0 DBADRM C[C@@H](C(=O)NC1(CC(=O)[O-])COC1)n1nnnc1C(C)(C)C ZINC001573400277 1026563225 /nfs/dbraw/zinc/56/32/25/1026563225.db2.gz VQVNIFVQNVAACY-QMMMGPOBSA-N -1 0 311.342 -0.109 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573400415 1026563328 /nfs/dbraw/zinc/56/33/28/1026563328.db2.gz AUIDZBYESQKYFN-XYPYZODXSA-N -1 0 321.337 -0.288 20 0 DBADRM C[C@@H](C(=O)N1CC[C@H](c2n[nH]cc2C(=O)[O-])C1)S(C)(=O)=O ZINC001573400078 1026564108 /nfs/dbraw/zinc/56/41/08/1026564108.db2.gz SJHXQIMAJMKGTB-YUMQZZPRSA-N -1 0 315.351 -0.143 20 0 DBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccnc1)n1cncn1 ZINC001573400215 1026564235 /nfs/dbraw/zinc/56/42/35/1026564235.db2.gz VHKAVIPIDDXFFE-MIMYLULJSA-N -1 0 305.294 -0.463 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001573402180 1026565484 /nfs/dbraw/zinc/56/54/84/1026565484.db2.gz ILWZYYITJHYGPU-SECBINFHSA-N -1 0 323.353 -0.761 20 0 DBADRM CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001573406921 1026565573 /nfs/dbraw/zinc/56/55/73/1026565573.db2.gz IXNXCOFQYPNUNX-UONOGXRCSA-N -1 0 317.338 -0.171 20 0 DBADRM CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001573406919 1026565690 /nfs/dbraw/zinc/56/56/90/1026565690.db2.gz IXNXCOFQYPNUNX-KBPBESRZSA-N -1 0 317.338 -0.171 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001573402220 1026565855 /nfs/dbraw/zinc/56/58/55/1026565855.db2.gz JKCMJXQFGBOZFO-MRVPVSSYSA-N -1 0 309.326 -0.430 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N[C@H](CO)CC(=O)[O-])C1 ZINC001573407912 1026566119 /nfs/dbraw/zinc/56/61/19/1026566119.db2.gz RTLZBYRJGDLVIU-VHSXEESVSA-N -1 0 316.354 -0.788 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001573407463 1026566321 /nfs/dbraw/zinc/56/63/21/1026566321.db2.gz UIZAODONXHHCHM-RKDXNWHRSA-N -1 0 306.384 -0.069 20 0 DBADRM CC(C)(C(=O)[O-])c1csc(NC(=O)NC[C@@H](O)CO)n1 ZINC001573407513 1026566334 /nfs/dbraw/zinc/56/63/34/1026566334.db2.gz LQQBJVSRKKLTSE-ZCFIWIBFSA-N -1 0 303.340 -0.020 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H](C)CCNc1ccnc(C(=O)[O-])n1 ZINC001573402648 1026566353 /nfs/dbraw/zinc/56/63/53/1026566353.db2.gz KYNZQQGTHLCXSM-SECBINFHSA-N -1 0 323.353 -0.618 20 0 DBADRM CC(=O)N1CCC(OC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001573411759 1026566945 /nfs/dbraw/zinc/56/69/45/1026566945.db2.gz WAQHXPMPDMZTJP-STQMWFEESA-N -1 0 310.350 -0.055 20 0 DBADRM CC(=O)N1C[C@@H](C(=O)NCC[C@H](O)C(=O)[O-])Oc2ccccc21 ZINC001573410608 1026566988 /nfs/dbraw/zinc/56/69/88/1026566988.db2.gz SORWUBKYGJHXJQ-AAEUAGOBSA-N -1 0 322.317 -0.248 20 0 DBADRM CC(=O)N[C@](C)(C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)C(C)C ZINC001573417657 1026567061 /nfs/dbraw/zinc/56/70/61/1026567061.db2.gz KOMQSJJQGSWWCI-AWEZNQCLSA-N -1 0 323.353 -0.090 20 0 DBADRM CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)NCC(=O)[O-])C1=O ZINC001573413078 1026568157 /nfs/dbraw/zinc/56/81/57/1026568157.db2.gz GCRTZCHWUKTGKP-VIFPVBQESA-N -1 0 314.338 -0.233 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1 ZINC001573413143 1026568240 /nfs/dbraw/zinc/56/82/40/1026568240.db2.gz BDHUXFVPJMLPSX-LDYMZIIASA-N -1 0 310.310 -0.022 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001573410388 1026568473 /nfs/dbraw/zinc/56/84/73/1026568473.db2.gz NYSDPOIDKPZLQR-FZNYLWTLSA-N -1 0 313.354 -0.661 20 0 DBADRM CC(=O)N1CCN([C@@H]2CCN(c3ccnc(C(=O)[O-])n3)C2)CC1 ZINC001573413208 1026568499 /nfs/dbraw/zinc/56/84/99/1026568499.db2.gz DUXHKHWMSRPAHE-GFCCVEGCSA-N -1 0 319.365 -0.082 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)CCCN(C)C(=O)CNC(=O)[O-] ZINC001573422588 1026569000 /nfs/dbraw/zinc/56/90/00/1026569000.db2.gz SABJCRPMGVIOGQ-SECBINFHSA-N -1 0 316.358 -0.915 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001573421358 1026569275 /nfs/dbraw/zinc/56/92/75/1026569275.db2.gz KDRXNAYCABOYHD-WCBMZHEXSA-N -1 0 321.337 -0.606 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573421749 1026569329 /nfs/dbraw/zinc/56/93/29/1026569329.db2.gz LNHDKJBEMBEXAE-LDYMZIIASA-N -1 0 321.337 -0.288 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)c1ncc(C(=O)[O-])cn1 ZINC001573420529 1026569375 /nfs/dbraw/zinc/56/93/75/1026569375.db2.gz COEVRLMPPPXZBC-IUCAKERBSA-N -1 0 323.353 -0.360 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)c1ccnc(C(=O)[O-])n1 ZINC001573420550 1026569419 /nfs/dbraw/zinc/56/94/19/1026569419.db2.gz CRYXJJHARLPMLT-BDAKNGLRSA-N -1 0 323.353 -0.360 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NCCC[C@@H](C)NC(=O)CNC(=O)[O-] ZINC001573420507 1026570234 /nfs/dbraw/zinc/57/02/34/1026570234.db2.gz CIZXHHVTJDUSAW-BDAKNGLRSA-N -1 0 316.358 -0.820 20 0 DBADRM CC(=O)NCC(=O)N1CCCN(Cc2cc(C(=O)[O-])no2)CC1 ZINC001573427722 1026570993 /nfs/dbraw/zinc/57/09/93/1026570993.db2.gz GREGKXXPKCRKRN-UHFFFAOYSA-N -1 0 324.337 -0.457 20 0 DBADRM CC(=O)NCC(=O)N(C)C[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001573427806 1026571019 /nfs/dbraw/zinc/57/10/19/1026571019.db2.gz JDLCAYRXFXOVBN-MRVPVSSYSA-N -1 0 309.326 -0.430 20 0 DBADRM CC(=O)NCC(=O)N1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C[C@H]1C ZINC001573427687 1026571325 /nfs/dbraw/zinc/57/13/25/1026571325.db2.gz FSWDLWRVEKTHHE-KCJUWKMLSA-N -1 0 321.337 -0.288 20 0 DBADRM CC(=O)NCC(=O)N(C)C[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001573427807 1026571728 /nfs/dbraw/zinc/57/17/28/1026571728.db2.gz JDLCAYRXFXOVBN-QMMMGPOBSA-N -1 0 309.326 -0.430 20 0 DBADRM CC(=O)NCC(=O)N1CCCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC001573427768 1026572219 /nfs/dbraw/zinc/57/22/19/1026572219.db2.gz IEIDVSRGNIZZKO-UHFFFAOYSA-N -1 0 321.337 -0.650 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@@H](N(C)c2ncc(C(=O)[O-])cn2)C1 ZINC001573428182 1026572459 /nfs/dbraw/zinc/57/24/59/1026572459.db2.gz RMTSMHRWDMPRRM-LLVKDONJSA-N -1 0 321.337 -0.652 20 0 DBADRM CC(=O)NCC(=O)NCC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001573430557 1026572548 /nfs/dbraw/zinc/57/25/48/1026572548.db2.gz RYZJCBJSDCKIKC-QMMMGPOBSA-N -1 0 309.326 -0.961 20 0 DBADRM CC(=O)NCC(=O)NC[C@@H](CC(C)C)NC(=O)CNC(=O)[O-] ZINC001573429519 1026572715 /nfs/dbraw/zinc/57/27/15/1026572715.db2.gz KESNZCVWMPNEKP-SNVBAGLBSA-N -1 0 316.358 -0.963 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)NCCCNC(=O)CNC(=O)[O-] ZINC001573429127 1026573353 /nfs/dbraw/zinc/57/33/53/1026573353.db2.gz DDOPDBYKFDOFCI-UHFFFAOYSA-N -1 0 316.358 -0.961 20 0 DBADRM CC(=O)NCC(=O)NCC[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001573429347 1026573403 /nfs/dbraw/zinc/57/34/03/1026573403.db2.gz IDACLNVBOWOEKH-QMMMGPOBSA-N -1 0 309.326 -0.382 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)[C@@H]1C ZINC001573429739 1026573769 /nfs/dbraw/zinc/57/37/69/1026573769.db2.gz LAIKNZVVEZBINJ-KCJUWKMLSA-N -1 0 321.337 -0.606 20 0 DBADRM CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C(=O)[O-])n1 ZINC001573430230 1026574012 /nfs/dbraw/zinc/57/40/12/1026574012.db2.gz QSBBZJAJDLRREG-UWVGGRQHSA-N -1 0 319.321 -0.900 20 0 DBADRM CC(=O)NCc1cccc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC001573435987 1026574629 /nfs/dbraw/zinc/57/46/29/1026574629.db2.gz MAWXEBSKVOQZIV-CHWSQXEVSA-N -1 0 306.318 -0.017 20 0 DBADRM CC(=O)N[C@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])C(C)(C)C ZINC001573436225 1026575001 /nfs/dbraw/zinc/57/50/01/1026575001.db2.gz KHOGWNXQVGPHKM-VHSXEESVSA-N -1 0 311.342 -0.602 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])C(N)=O ZINC001573435862 1026575480 /nfs/dbraw/zinc/57/54/80/1026575480.db2.gz BEFXWZVUVQBORG-PKFCDNJMSA-N -1 0 313.354 -0.484 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC001573434868 1026575757 /nfs/dbraw/zinc/57/57/57/1026575757.db2.gz SXHBMCPIBZGDSM-GRYCIOLGSA-N -1 0 313.354 -0.214 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])ccn2)CCO1 ZINC001573433178 1026576075 /nfs/dbraw/zinc/57/60/75/1026576075.db2.gz BMFSUQQOBXJXHM-LLVKDONJSA-N -1 0 307.306 -0.243 20 0 DBADRM CC(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001573436638 1026576166 /nfs/dbraw/zinc/57/61/66/1026576166.db2.gz XOAQIQBAWKAOCF-RKDXNWHRSA-N -1 0 308.294 -0.845 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001573464760 1026577083 /nfs/dbraw/zinc/57/70/83/1026577083.db2.gz KNWKJZQMHQXFQO-SDBXPKJASA-N -1 0 320.342 -0.786 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)CNC(=O)[O-])C1 ZINC001573465682 1026577916 /nfs/dbraw/zinc/57/79/16/1026577916.db2.gz VATKEHJVUXGZKG-ZDUSSCGKSA-N -1 0 317.342 -0.258 20 0 DBADRM CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@H](O)CC(=O)[O-] ZINC001573459762 1026578094 /nfs/dbraw/zinc/57/80/94/1026578094.db2.gz IXPBYTGAJPUUEI-JGVFFNPUSA-N -1 0 304.368 -0.362 20 0 DBADRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001573457881 1026578302 /nfs/dbraw/zinc/57/83/02/1026578302.db2.gz NNAUCIOAZXQXJW-OPRDCNLKSA-N -1 0 319.379 -0.100 20 0 DBADRM CC(C)(C)n1cc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)nn1 ZINC001573475463 1026579174 /nfs/dbraw/zinc/57/91/74/1026579174.db2.gz OWZFNHLSYHHZFU-DTWKUNHWSA-N -1 0 311.342 -0.266 20 0 DBADRM CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)[C@@H](O)CC(=O)[O-])C1 ZINC001573467960 1026579942 /nfs/dbraw/zinc/57/99/42/1026579942.db2.gz AHIXSFBKONWPJX-CIUDSAMLSA-N -1 0 302.327 -0.006 20 0 DBADRM CNC(=O)CC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C ZINC001573470938 1026580225 /nfs/dbraw/zinc/58/02/25/1026580225.db2.gz DRCUGNMXIIVDAW-BDAKNGLRSA-N -1 0 323.353 -0.721 20 0 DBADRM CC(C)(C)n1cc(CNC(=O)[C@@H](O)CC(=O)[O-])c(=O)[nH]c1=O ZINC001573475424 1026580285 /nfs/dbraw/zinc/58/02/85/1026580285.db2.gz NGGLLGLZHUYSBV-QMMMGPOBSA-N -1 0 313.310 -0.844 20 0 DBADRM CC(C)[C@H](CNC(=O)c1cn(C(F)(F)CO)nn1)C(=O)[O-] ZINC001573499738 1026581859 /nfs/dbraw/zinc/58/18/59/1026581859.db2.gz XYKLOSUVGNETSM-ZETCQYMHSA-N -1 0 306.269 -0.094 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)NC(=O)[O-] ZINC001573501671 1026581924 /nfs/dbraw/zinc/58/19/24/1026581924.db2.gz GQTXFKYPZYDHBP-LPEHRKFASA-N -1 0 301.343 -0.182 20 0 DBADRM CC(C)C[C@H](CNC(=O)[C@H](CO)NC(=O)C(C)C)NC(=O)[O-] ZINC001573501258 1026582060 /nfs/dbraw/zinc/58/20/60/1026582060.db2.gz CPKAQULALJYQHD-MNOVXSKESA-N -1 0 317.386 -0.082 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@H]1C[C@H](O)CN1c1ccncn1)C(=O)[O-] ZINC001573489639 1026582172 /nfs/dbraw/zinc/58/21/72/1026582172.db2.gz HABBDXMSSZZUBN-SDDRHHMPSA-N -1 0 322.365 -0.111 20 0 DBADRM CC(C)COC[C@@H](O)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573515823 1026585174 /nfs/dbraw/zinc/58/51/74/1026585174.db2.gz BBDDXGIDWBEWEF-QMMMGPOBSA-N -1 0 321.355 -0.580 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)NC2(CC(=O)[O-])COC2)c1 ZINC001573534685 1026586293 /nfs/dbraw/zinc/58/62/93/1026586293.db2.gz CKYZIIXWHWGTRZ-UHFFFAOYSA-N -1 0 303.340 -0.014 20 0 DBADRM CC(C)n1cc(S(=O)(=O)NC2(CC(=O)[O-])COC2)cn1 ZINC001573536084 1026586366 /nfs/dbraw/zinc/58/63/66/1026586366.db2.gz UNJIFSBTZSKOMY-UHFFFAOYSA-N -1 0 303.340 -0.014 20 0 DBADRM C[C@@H](CCC(=O)[O-])NC(=O)N1CCC(C(=O)NCCO)CC1 ZINC001573541782 1026586426 /nfs/dbraw/zinc/58/64/26/1026586426.db2.gz XJRDSPZPOQDPKB-JTQLQIEISA-N -1 0 315.370 -0.230 20 0 DBADRM C[C@@H](CCC(=O)[O-])NC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001573540735 1026587155 /nfs/dbraw/zinc/58/71/55/1026587155.db2.gz NRPAQQKQVBMBRN-KWQFWETISA-N -1 0 308.356 -0.912 20 0 DBADRM C[C@](O)(CNS(=O)(=O)C[C@H]1CCC2(CCC2)O1)C(=O)[O-] ZINC001573580665 1026595479 /nfs/dbraw/zinc/59/54/79/1026595479.db2.gz DFNRRXVLVOXSHW-KOLCDFICSA-N -1 0 307.368 -0.157 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCOC(=O)N1)C1(C(=O)[O-])CCOCC1 ZINC001573560530 1026590749 /nfs/dbraw/zinc/59/07/49/1026590749.db2.gz UZKLZRMLJWHGRM-IUCAKERBSA-N -1 0 300.311 -0.129 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)Nc1ccn(C)c(=O)c1)C(=O)[O-] ZINC001573554272 1026590979 /nfs/dbraw/zinc/59/09/79/1026590979.db2.gz RAUACUPFRZGWIH-YUMQZZPRSA-N -1 0 310.310 -0.515 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CSCN1C(=O)[O-])C1N=NC(=O)N1C ZINC001573560571 1026591066 /nfs/dbraw/zinc/59/10/66/1026591066.db2.gz VNVUNLUFTNGYJN-PHDIDXHHSA-N -1 0 301.328 -0.249 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1nc(C(=O)[O-])n[nH]1 ZINC001573559277 1026591322 /nfs/dbraw/zinc/59/13/22/1026591322.db2.gz CBDARPVPTFULQD-WDSKDSINSA-N -1 0 302.312 -0.885 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)Cc1ccno1)C(=O)[O-] ZINC001573559996 1026591532 /nfs/dbraw/zinc/59/15/32/1026591532.db2.gz NXCSJHGHIMQPDY-BQBZGAKWSA-N -1 0 305.312 -0.928 20 0 DBADRM C[C@@H](NC(=O)[C@]1(C)CCCS1(=O)=O)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573554056 1026591544 /nfs/dbraw/zinc/59/15/44/1026591544.db2.gz PWIFSEQIEZFJTN-LWINAJNOSA-N -1 0 320.367 -0.952 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)Nc1nccc(S(C)(=O)=O)n1)C(=O)[O-] ZINC001573559469 1026591965 /nfs/dbraw/zinc/59/19/65/1026591965.db2.gz DFDNWMOBCWIVST-NKWVEPMBSA-N -1 0 316.339 -0.730 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@H](C)c1nc(C(=O)[O-])n[nH]1 ZINC001573563499 1026592700 /nfs/dbraw/zinc/59/27/00/1026592700.db2.gz UWHRFPQCUWFARB-ZCFIWIBFSA-N -1 0 304.328 -0.497 20 0 DBADRM C[C@@H](NC(=O)c1ccn2nccc2n1)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573560679 1026592971 /nfs/dbraw/zinc/59/29/71/1026592971.db2.gz WNSMTAMHALCJOC-SFYZADRCSA-N -1 0 305.294 -0.563 20 0 DBADRM C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)c1nc(C(=O)[O-])n[n-]1 ZINC001573562820 1026592982 /nfs/dbraw/zinc/59/29/82/1026592982.db2.gz PEZJRRFRSQODRH-DJLDLDEBSA-N -1 0 311.342 -0.475 20 0 DBADRM C[C@@H](NC(=O)N1CCO[C@](C)(C(=O)[O-])C1)C1N=NC(=O)N1C ZINC001573562573 1026593049 /nfs/dbraw/zinc/59/30/49/1026593049.db2.gz NIKVMMLJNIYPEE-KRTXAFLBSA-N -1 0 313.314 -0.533 20 0 DBADRM C[C@H](NC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO)c1cnn(C)c1 ZINC001573563340 1026593201 /nfs/dbraw/zinc/59/32/01/1026593201.db2.gz SWRVIRIUZZWYIG-LSJOCFKGSA-N -1 0 311.342 -0.249 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@](C)(C(=O)[O-])C1)C1N=NC(=O)N1C ZINC001573562576 1026593464 /nfs/dbraw/zinc/59/34/64/1026593464.db2.gz NIKVMMLJNIYPEE-MADCSZMMSA-N -1 0 313.314 -0.533 20 0 DBADRM C[C@H](NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1)C(=O)[O-] ZINC001573569202 1026594021 /nfs/dbraw/zinc/59/40/21/1026594021.db2.gz QWDRHYNYCCMFEV-AXTRIDKLSA-N -1 0 307.306 -0.431 20 0 DBADRM C[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ncnn1C ZINC001573578385 1026595440 /nfs/dbraw/zinc/59/54/40/1026595440.db2.gz DLGHPKLTSDFWNZ-YFKPBYRVSA-N -1 0 300.300 -0.724 20 0 DBADRM C[C@](O)(CNS(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1)C(=O)[O-] ZINC001573579641 1026595690 /nfs/dbraw/zinc/59/56/90/1026595690.db2.gz AHIRYVRVWLREFD-NHCYSSNCSA-N -1 0 307.368 -0.301 20 0 DBADRM C[C@H](NC(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1)C(=O)[O-] ZINC001573573817 1026595828 /nfs/dbraw/zinc/59/58/28/1026595828.db2.gz XELPQYLIRRKIIP-YFKPBYRVSA-N -1 0 305.312 -0.448 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12)C(=O)[O-] ZINC001573579647 1026596230 /nfs/dbraw/zinc/59/62/30/1026596230.db2.gz AHNKCSQJQMGYGI-NKZPBKNFSA-N -1 0 304.302 -0.152 20 0 DBADRM C[C@H](NS(=O)(=O)c1c[nH]cn1)C1(C(=O)[O-])CCOCC1 ZINC001573578624 1026596529 /nfs/dbraw/zinc/59/65/29/1026596529.db2.gz ISTARBFGVCHZAM-QMMMGPOBSA-N -1 0 303.340 -0.042 20 0 DBADRM C[C@@H](O)CN(C(=O)Nc1ncc(C(=O)[O-])n1C)[C@@H](C)CO ZINC001573581811 1026597136 /nfs/dbraw/zinc/59/71/36/1026597136.db2.gz KVYGPGCXHKUIGL-JGVFFNPUSA-N -1 0 300.315 -0.286 20 0 DBADRM C[C@H](O)[C@@H](O)CNC(=O)Nc1ccn2ncc(C(=O)[O-])c2c1 ZINC001573583047 1026597832 /nfs/dbraw/zinc/59/78/32/1026597832.db2.gz RNHOPWUWAQQZTJ-CPCISQLKSA-N -1 0 308.294 -0.104 20 0 DBADRM C[C@H](CNC(=O)N1CCC2(CC1)C[C@H](O)CNC2=O)C(=O)[O-] ZINC001573593838 1026598156 /nfs/dbraw/zinc/59/81/56/1026598156.db2.gz QPOWKIBRVGLPTE-ZJUUUORDSA-N -1 0 313.354 -0.620 20 0 DBADRM C[C@H](O)[C@H](O)CNC(=O)Nc1c(C(=O)[O-])nc2ccccn21 ZINC001573582974 1026598507 /nfs/dbraw/zinc/59/85/07/1026598507.db2.gz QEFGEYLQMRZABR-JGVFFNPUSA-N -1 0 308.294 -0.104 20 0 DBADRM C[C@@H](O)CN(CCO)C(=O)Nc1ncc(CC(=O)[O-])s1 ZINC001573581766 1026598589 /nfs/dbraw/zinc/59/85/89/1026598589.db2.gz KNUULHWLNWMBHE-SSDOTTSWSA-N -1 0 303.340 -0.023 20 0 DBADRM C[C@@H](Sc1nc(CC(=O)NCC(=O)[O-])cs1)C(N)=O ZINC001573590453 1026598666 /nfs/dbraw/zinc/59/86/66/1026598666.db2.gz QWDFDKABCZNSBV-RXMQYKEDSA-N -1 0 303.365 -0.148 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1ccc(S(C)(=O)=O)cn1)C(=O)[O-] ZINC001573583980 1026598789 /nfs/dbraw/zinc/59/87/89/1026598789.db2.gz XOXLPEUKEAKQKF-LLVKDONJSA-N -1 0 317.323 -0.558 20 0 DBADRM C[C@]1(C(=O)[O-])CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC001573600628 1026600378 /nfs/dbraw/zinc/60/03/78/1026600378.db2.gz ICWZOJSTIUCODU-JOYOIKCWSA-N -1 0 320.367 -0.551 20 0 DBADRM CC1(C)CN(S(=O)(=O)NCc2[nH]cnc2C(=O)[O-])CCO1 ZINC001573613392 1026601615 /nfs/dbraw/zinc/60/16/15/1026601615.db2.gz YHQHANUYVCZESO-UHFFFAOYSA-N -1 0 318.355 -0.447 20 0 DBADRM C[C@H]1[C@@H](CO)CCN1S(=O)(=O)Cc1cc(C(=O)[O-])no1 ZINC001573632679 1026603273 /nfs/dbraw/zinc/60/32/73/1026603273.db2.gz MKLSEDNTUJUOHF-JGVFFNPUSA-N -1 0 304.324 -0.095 20 0 DBADRM C[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)C(=O)N1CCCC[C@@H]1C ZINC001573626212 1026603298 /nfs/dbraw/zinc/60/32/98/1026603298.db2.gz ZCZNAUSNTDLKTE-VHSXEESVSA-N -1 0 323.353 -0.118 20 0 DBADRM CC1=C(C(=O)N2CCCC[C@@H]2C(=O)[O-])Cn2nnnc2N1C ZINC001573627040 1026603321 /nfs/dbraw/zinc/60/33/21/1026603321.db2.gz VHWJHGUKLLKWTL-SNVBAGLBSA-N -1 0 306.326 -0.137 20 0 DBADRM C[C@]1(CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)CCCO1 ZINC001573620445 1026603567 /nfs/dbraw/zinc/60/35/67/1026603567.db2.gz XHRSTNPTXVNSLX-GIPNMCIBSA-N -1 0 301.343 -0.175 20 0 DBADRM C[C@]1([C@H]2CCCN(C(=O)[C@@H](O)CC(=O)[O-])C2)COC(=O)N1 ZINC001573620495 1026604524 /nfs/dbraw/zinc/60/45/24/1026604524.db2.gz ZFJBIKNIZPYHNY-MWODSPESSA-N -1 0 300.311 -0.441 20 0 DBADRM C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1nccc(N)n1 ZINC001573630042 1026604555 /nfs/dbraw/zinc/60/45/55/1026604555.db2.gz GEFIQUFLSBDYQJ-SFYZADRCSA-N -1 0 315.355 -0.497 20 0 DBADRM C[C@@H]1C[C@@H](CS(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC001573635811 1026606360 /nfs/dbraw/zinc/60/63/60/1026606360.db2.gz ZQSTZKPXOOQDTQ-OUAUKWLOSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC001573633806 1026606662 /nfs/dbraw/zinc/60/66/62/1026606662.db2.gz BSWACMQRKPPXBZ-IANFPDNMSA-N -1 0 306.322 -0.249 20 0 DBADRM C[C@@H]1CC[C@H](CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)O1 ZINC001573636418 1026606959 /nfs/dbraw/zinc/60/69/59/1026606959.db2.gz PGTOPZPCZQNYOZ-LMLFDSFASA-N -1 0 301.343 -0.176 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCN(c2nc(N)nc(C(=O)[O-])n2)CC1 ZINC001573636936 1026607291 /nfs/dbraw/zinc/60/72/91/1026607291.db2.gz VEKWLLFRDIVQFY-YUMQZZPRSA-N -1 0 306.326 -0.543 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)NC[C@]2(C(=O)[O-])CCCOC2)C(=O)O1 ZINC001573634952 1026607498 /nfs/dbraw/zinc/60/74/98/1026607498.db2.gz GZQBNQUJCMDDOP-JRKPZEMJSA-N -1 0 300.311 -0.129 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)NCc1cc(C(=O)[O-])no1 ZINC001573653540 1026607997 /nfs/dbraw/zinc/60/79/97/1026607997.db2.gz BCBJSNNTIYNXQV-SECBINFHSA-N -1 0 312.326 -0.107 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)[O-])cc2CN1c1cc(=O)n(C)c(=O)[nH]1 ZINC001573654138 1026608878 /nfs/dbraw/zinc/60/88/78/1026608878.db2.gz HBTWMCFPMVNDLX-SSDOTTSWSA-N -1 0 305.294 -0.211 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)N[C@H]1CCOC1=O ZINC001573654366 1026609473 /nfs/dbraw/zinc/60/94/73/1026609473.db2.gz IHZFDKZQGGLGPO-APPZFPTMSA-N -1 0 308.294 -0.190 20 0 DBADRM CC[C@@H](C)C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C(=O)[O-] ZINC001573671576 1026614798 /nfs/dbraw/zinc/61/47/98/1026614798.db2.gz CPBFBIFEGBSNMT-FKTZTGRPSA-N -1 0 301.343 -0.628 20 0 DBADRM CC[C@H](C)NC(=O)CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001573679863 1026617033 /nfs/dbraw/zinc/61/70/33/1026617033.db2.gz YAZXGCQBSNMBNH-UWVGGRQHSA-N -1 0 321.399 -0.325 20 0 DBADRM C[C@@]1(CC(=O)Nc2cnn(CC(=O)[O-])c2)CCS(=O)(=O)N1 ZINC001573684180 1026618228 /nfs/dbraw/zinc/61/82/28/1026618228.db2.gz KISHMAZHOXHLPB-NSHDSACASA-N -1 0 316.339 -0.622 20 0 DBADRM C[C@]1(CO)CCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001573684269 1026618314 /nfs/dbraw/zinc/61/83/14/1026618314.db2.gz LUFWIYVKFLYYLC-CYBMUJFWSA-N -1 0 304.343 -0.339 20 0 DBADRM C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001573691274 1026620971 /nfs/dbraw/zinc/62/09/71/1026620971.db2.gz USRWQUDGDBHVOJ-FBIMIBRVSA-N -1 0 317.363 -0.298 20 0 DBADRM CCC[C@H](C(=O)Nc1cc(C)nn1CC(=O)[O-])S(N)(=O)=O ZINC001573722675 1026622344 /nfs/dbraw/zinc/62/23/44/1026622344.db2.gz QDZDLYAZBIFAMK-MRVPVSSYSA-N -1 0 318.355 -0.328 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001573724174 1026622897 /nfs/dbraw/zinc/62/28/97/1026622897.db2.gz FVUWJYNVNIHFPR-BDAKNGLRSA-N -1 0 313.397 -0.406 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cn1ncn2nccc2c1=O ZINC001573713008 1026622929 /nfs/dbraw/zinc/62/29/29/1026622929.db2.gz XPTWVLFXJKSEGL-NXEZZACHSA-N -1 0 319.321 -0.397 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N2CCC[C@H](NC(=O)[O-])C2)nn1 ZINC001573709221 1026623179 /nfs/dbraw/zinc/62/31/79/1026623179.db2.gz GGYNLKFWDDJAEV-UWVGGRQHSA-N -1 0 311.342 -0.079 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N1CCS(=O)(=O)CCO1 ZINC001573724226 1026623198 /nfs/dbraw/zinc/62/31/98/1026623198.db2.gz GRVNPEFMJFUUFN-MRVPVSSYSA-N -1 0 315.369 -0.769 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)C1CCN(C(=O)[O-])CC1 ZINC001573700688 1026623340 /nfs/dbraw/zinc/62/33/40/1026623340.db2.gz WFISQLRYKUUGCF-SNVBAGLBSA-N -1 0 321.399 -0.180 20 0 DBADRM CCC[C@@H](C(=O)N1CCO[C@@](C)(C(=O)[O-])C1)S(N)(=O)=O ZINC001573721229 1026623948 /nfs/dbraw/zinc/62/39/48/1026623948.db2.gz CRZFLKNZTBKDEH-GZMMTYOYSA-N -1 0 308.356 -0.854 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)NCCOCCOCC(=O)[O-])C(=O)O1 ZINC001573699719 1026623956 /nfs/dbraw/zinc/62/39/56/1026623956.db2.gz AJTACPRBWMBMSK-RKDXNWHRSA-N -1 0 304.299 -0.893 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N[C@H](C)CS(C)(=O)=O ZINC001573724078 1026624053 /nfs/dbraw/zinc/62/40/53/1026624053.db2.gz CVRBJNPKGZVCES-SFYZADRCSA-N -1 0 301.386 -0.408 20 0 DBADRM C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001573711412 1026624075 /nfs/dbraw/zinc/62/40/75/1026624075.db2.gz MXADNKNJZWNWQN-IWSPIJDZSA-N -1 0 309.326 -0.523 20 0 DBADRM CCC[C@H](O)[C@H](CO)NC(=O)NCc1cc(C(=O)[O-])no1 ZINC001573732927 1026624791 /nfs/dbraw/zinc/62/47/91/1026624791.db2.gz AKGDUYMWTRFNLE-UWVGGRQHSA-N -1 0 301.299 -0.306 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@H]1CCN(C(=O)NCC)C1 ZINC001573725417 1026625296 /nfs/dbraw/zinc/62/52/96/1026625296.db2.gz ZWDHYPWCIDKJSA-VHSXEESVSA-N -1 0 321.399 -0.037 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N[C@@H](C)CS(=O)(=O)CC ZINC001573724356 1026625443 /nfs/dbraw/zinc/62/54/43/1026625443.db2.gz JCNBIGXCCHJPKF-IUCAKERBSA-N -1 0 315.413 -0.018 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N1CC[C@H](NC(=O)NC)C1 ZINC001573724345 1026625502 /nfs/dbraw/zinc/62/55/02/1026625502.db2.gz IYPGUUZDGCGCDS-DTWKUNHWSA-N -1 0 307.372 -0.427 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N[C@@H]1CCN(C(=O)NCC)C1 ZINC001573725418 1026625515 /nfs/dbraw/zinc/62/55/15/1026625515.db2.gz ZWDHYPWCIDKJSA-ZJUUUORDSA-N -1 0 321.399 -0.037 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@H](CO)[C@H]1CCCOC1 ZINC001573724643 1026625709 /nfs/dbraw/zinc/62/57/09/1026625709.db2.gz OIEUPFMMOIJFGD-HBNTYKKESA-N -1 0 309.384 -0.053 20 0 DBADRM CCCN([C@@H](C)C(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC001573751582 1026627349 /nfs/dbraw/zinc/62/73/49/1026627349.db2.gz XYEHFZGEWGVCHH-VIFPVBQESA-N -1 0 315.413 -0.064 20 0 DBADRM CCCCN(CC(N)=O)CC(=O)Nc1c(C(=O)[O-])cnn1C ZINC001573735349 1026627915 /nfs/dbraw/zinc/62/79/15/1026627915.db2.gz IZWIFEOUMZSYCP-UHFFFAOYSA-N -1 0 311.342 -0.356 20 0 DBADRM CCCNC(=O)[C@@H](C)NS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001573760491 1026627942 /nfs/dbraw/zinc/62/79/42/1026627942.db2.gz OWRXDBUCYFKTPD-RKDXNWHRSA-N -1 0 307.372 -0.716 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)NCCn1cnc(C(=O)[O-])c1 ZINC001573733552 1026628057 /nfs/dbraw/zinc/62/80/57/1026628057.db2.gz MBVGBHOGPUMCGE-SECBINFHSA-N -1 0 311.342 -0.075 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCCN1C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001573747556 1026628104 /nfs/dbraw/zinc/62/81/04/1026628104.db2.gz PNSWXZYZWKIMCH-SSDOTTSWSA-N -1 0 301.324 -0.243 20 0 DBADRM CCCN(C(=O)CNC(=O)CNC(C)=O)[C@H](CC)C(=O)[O-] ZINC001573743966 1026628244 /nfs/dbraw/zinc/62/82/44/1026628244.db2.gz MHGOQTFSKSUNGZ-SNVBAGLBSA-N -1 0 301.343 -0.660 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)c1nc2ncc(CCO)cn2n1 ZINC001573752140 1026628269 /nfs/dbraw/zinc/62/82/69/1026628269.db2.gz CRMMTCGSGPZFSU-UHFFFAOYSA-N -1 0 307.310 -0.404 20 0 DBADRM CCCN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@H](C)C(=O)[O-] ZINC001573743002 1026628693 /nfs/dbraw/zinc/62/86/93/1026628693.db2.gz OSHVSINKSOVGIE-NXEZZACHSA-N -1 0 321.399 -0.386 20 0 DBADRM CCCn1cc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccncc2)nn1 ZINC001573765146 1026629946 /nfs/dbraw/zinc/62/99/46/1026629946.db2.gz XDSNQBMAIPLEIP-NWDGAFQWSA-N -1 0 319.321 0.000 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573769109 1026630606 /nfs/dbraw/zinc/63/06/06/1026630606.db2.gz BVAKUKJWDWTYOE-VHSXEESVSA-N -1 0 316.358 -0.875 20 0 DBADRM CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)[C@@H](O)CC(=O)[O-] ZINC001573784239 1026632473 /nfs/dbraw/zinc/63/24/73/1026632473.db2.gz HBJCNYZBPDMNMC-JQWIXIFHSA-N -1 0 310.306 -0.020 20 0 DBADRM CCNC(=O)NC(=O)CS[C@H](CC(=O)OCC)C(=O)[O-] ZINC001573783348 1026632732 /nfs/dbraw/zinc/63/27/32/1026632732.db2.gz YKFITGZCDMKVEU-SSDOTTSWSA-N -1 0 306.340 -0.028 20 0 DBADRM CCOC(=O)[C@@]1(COC)CCCN(C(=O)[C@H](O)CC(=O)[O-])C1 ZINC001573785996 1026634046 /nfs/dbraw/zinc/63/40/46/1026634046.db2.gz ZMCXAHRWEXZBEA-YGRLFVJLSA-N -1 0 317.338 -0.360 20 0 DBADRM CCOC(=O)C[C@H](NC(=O)[C@@H](O)CC(=O)[O-])C(F)(F)F ZINC001573786706 1026634594 /nfs/dbraw/zinc/63/45/94/1026634594.db2.gz YKWOKNWPQLYIPR-WDSKDSINSA-N -1 0 301.217 -0.178 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1CN1CCOC[C@H]1C(=O)NCC(=O)[O-] ZINC001573791405 1026634607 /nfs/dbraw/zinc/63/46/07/1026634607.db2.gz JSNJDKOGRQCHFL-AXFHLTTASA-N -1 0 314.338 -0.913 20 0 DBADRM CCOC(=O)N1C[C@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H](CO)C1 ZINC001573787960 1026634636 /nfs/dbraw/zinc/63/46/36/1026634636.db2.gz PWSMKQSHKQXPJQ-YTWAJWBKSA-N -1 0 314.338 -0.337 20 0 DBADRM CCOC(=O)N1CSC[C@H]1C(=O)N[C@H](CO)CC(=O)[O-] ZINC001573788302 1026634663 /nfs/dbraw/zinc/63/46/63/1026634663.db2.gz VZCYCPGZQVCLPV-YUMQZZPRSA-N -1 0 306.340 -0.530 20 0 DBADRM CCOC(=O)C[C@H](NC(=O)[C@H](O)CC(=O)[O-])C(F)(F)F ZINC001573786705 1026634769 /nfs/dbraw/zinc/63/47/69/1026634769.db2.gz YKWOKNWPQLYIPR-RITPCOANSA-N -1 0 301.217 -0.178 20 0 DBADRM CCOC(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)CC(=O)[O-] ZINC001573788301 1026635025 /nfs/dbraw/zinc/63/50/25/1026635025.db2.gz VZCYCPGZQVCLPV-SFYZADRCSA-N -1 0 306.340 -0.530 20 0 DBADRM CCOC(=O)C1CCN(C(=O)Cn2ncc(C(=O)[O-])n2)CC1 ZINC001573786708 1026635202 /nfs/dbraw/zinc/63/52/02/1026635202.db2.gz YPDICOTWKCGJMZ-UHFFFAOYSA-N -1 0 310.310 -0.222 20 0 DBADRM CC[C@H](CNC(=O)N1C[C@H](O)C[C@H](C(=O)OC)C1)C(=O)[O-] ZINC001573800641 1026636167 /nfs/dbraw/zinc/63/61/67/1026636167.db2.gz TVCZNCKUCQVDEH-KXUCPTDWSA-N -1 0 302.327 -0.337 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573792384 1026636560 /nfs/dbraw/zinc/63/65/60/1026636560.db2.gz VZNSCXBBPCJARG-MMWGEVLESA-N -1 0 314.338 -0.337 20 0 DBADRM CCOCc1cccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC001573802972 1026636687 /nfs/dbraw/zinc/63/66/87/1026636687.db2.gz UYBKVBDGLWBRGL-LLVKDONJSA-N -1 0 303.336 -0.053 20 0 DBADRM CCOC(=O)c1nccc(N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001573793965 1026636829 /nfs/dbraw/zinc/63/68/29/1026636829.db2.gz SYXFMMBKGMQCEK-BDAKNGLRSA-N -1 0 310.310 -0.542 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573792414 1026636878 /nfs/dbraw/zinc/63/68/78/1026636878.db2.gz WULFQBIIAMXYGB-AATLWQCWSA-N -1 0 314.338 -0.330 20 0 DBADRM CC[C@@H](CNC(=O)NC[C@@]1(CO)COCCN1C)C(=O)[O-] ZINC001573797850 1026637095 /nfs/dbraw/zinc/63/70/95/1026637095.db2.gz GRZVAJIWLIYTKI-GXFFZTMASA-N -1 0 303.359 -0.911 20 0 DBADRM CCOC(=O)[C@H](C)N(C)CC(=O)Nc1c(C(=O)[O-])cnn1C ZINC001573791409 1026637177 /nfs/dbraw/zinc/63/71/77/1026637177.db2.gz JSZPMEYZZSFGJA-QMMMGPOBSA-N -1 0 312.326 -0.060 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573801246 1026637190 /nfs/dbraw/zinc/63/71/90/1026637190.db2.gz SELCEEDCZGWJBB-GWOFURMSSA-N -1 0 317.342 -0.940 20 0 DBADRM CC[C@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C(=O)OC ZINC001573814301 1026638081 /nfs/dbraw/zinc/63/80/81/1026638081.db2.gz CECLBRLFOLVFRS-LURJTMIESA-N -1 0 305.312 -0.354 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC001573807536 1026637913 /nfs/dbraw/zinc/63/79/13/1026637913.db2.gz NPQXURWZZBLNTL-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CC[C@H]1CN(C(=O)C2(S(N)(=O)=O)CC2)C[C@]1(F)C(=O)[O-] ZINC001573817381 1026637938 /nfs/dbraw/zinc/63/79/38/1026637938.db2.gz OAFCDGAZBXGHJJ-WRWORJQWSA-N -1 0 308.331 -0.531 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@@H](CC(=O)[O-])c1ccncc1 ZINC001573807679 1026638443 /nfs/dbraw/zinc/63/84/43/1026638443.db2.gz TVLKYFAUUQPEMC-JTQLQIEISA-N -1 0 315.351 -0.347 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)N1CC([C@H](F)C(=O)[O-])C1 ZINC001573807073 1026639483 /nfs/dbraw/zinc/63/94/83/1026639483.db2.gz DRDNHHVPBYLWSG-CBAPKCEASA-N -1 0 310.347 -0.126 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C2(S(N)(=O)=O)CC2)C1 ZINC001573819106 1026639544 /nfs/dbraw/zinc/63/95/44/1026639544.db2.gz KPHSFBHKOHGBQY-LLVKDONJSA-N -1 0 304.368 -0.089 20 0 DBADRM CCC[C@H](O)CCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001573836134 1026640578 /nfs/dbraw/zinc/64/05/78/1026640578.db2.gz NWYCQIFKLKQONG-JTQLQIEISA-N -1 0 321.395 -0.067 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)Cn2ccc(=O)[nH]c2=O)n1 ZINC001573846872 1026640835 /nfs/dbraw/zinc/64/08/35/1026640835.db2.gz LJSSFVXTRAGMRX-UHFFFAOYSA-N -1 0 307.266 -0.498 20 0 DBADRM CCn1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccncc2)nn1 ZINC001573845075 1026641190 /nfs/dbraw/zinc/64/11/90/1026641190.db2.gz WJAAVFRIBMWRPF-QWRGUYRKSA-N -1 0 305.294 -0.390 20 0 DBADRM CCn1cc(S(=O)(=O)NC2(CC(=O)[O-])COC2)nc1C ZINC001573846633 1026641345 /nfs/dbraw/zinc/64/13/45/1026641345.db2.gz CCJQNBLGMCKRNP-UHFFFAOYSA-N -1 0 303.340 -0.267 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)CNS(=O)(=O)CC)n1 ZINC001573844402 1026641384 /nfs/dbraw/zinc/64/13/84/1026641384.db2.gz HDWJWTMLDYDTAD-UHFFFAOYSA-N -1 0 304.328 -0.521 20 0 DBADRM CCc1ncc(C(=O)[O-])c(N2CC[C@@H](CS(N)(=O)=O)C2)n1 ZINC001573836979 1026641403 /nfs/dbraw/zinc/64/14/03/1026641403.db2.gz AAPMQTHYCQMURV-MRVPVSSYSA-N -1 0 314.367 -0.148 20 0 DBADRM CCc1noc(COCC(=O)N2CCO[C@](C)(C(=O)[O-])C2)n1 ZINC001573839732 1026641648 /nfs/dbraw/zinc/64/16/48/1026641648.db2.gz FKPOBTPKROERFS-ZDUSSCGKSA-N -1 0 313.310 -0.149 20 0 DBADRM CCc1nnc(N2CCN(C(=O)[O-])CC2)n1CCC(=O)NC ZINC001573839981 1026642068 /nfs/dbraw/zinc/64/20/68/1026642068.db2.gz IUGIONGCYTYUIE-UHFFFAOYSA-N -1 0 310.358 -0.223 20 0 DBADRM CN(C(=O)c1nc2n(n1)CCCN2)[C@@H](C(=O)[O-])c1cccnc1 ZINC001573858902 1026643656 /nfs/dbraw/zinc/64/36/56/1026643656.db2.gz LNXYIEGYPYMNOH-SNVBAGLBSA-N -1 0 316.321 -0.356 20 0 DBADRM CN(CC(=O)[O-])C(=O)CN1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC001573864691 1026644727 /nfs/dbraw/zinc/64/47/27/1026644727.db2.gz LACHBXALEQCKDF-CYBMUJFWSA-N -1 0 310.354 -0.302 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC001573864055 1026644922 /nfs/dbraw/zinc/64/49/22/1026644922.db2.gz ROZUDUOKPCKPHN-AMUVOQDHSA-N -1 0 304.368 -0.268 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NCc1nc(C(=O)[O-])cs1 ZINC001573864188 1026645712 /nfs/dbraw/zinc/64/57/12/1026645712.db2.gz WFAQYTOBERPUAR-UHFFFAOYSA-N -1 0 321.380 -0.261 20 0 DBADRM CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C1(CC(=O)[O-])CC1 ZINC001573864489 1026645817 /nfs/dbraw/zinc/64/58/17/1026645817.db2.gz FVRQAVMPABLHBW-QMMMGPOBSA-N -1 0 311.381 -0.558 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)Nc1ncc(C(=O)[O-])n1C ZINC001573864247 1026645964 /nfs/dbraw/zinc/64/59/64/1026645964.db2.gz YURYABURGQAFSE-UHFFFAOYSA-N -1 0 319.343 -0.869 20 0 DBADRM CN(C[C@H](O)CN1CCO[C@@H](C(=O)[O-])C1)CC(F)(F)F ZINC001573869489 1026647506 /nfs/dbraw/zinc/64/75/06/1026647506.db2.gz BMBNGDMOJMPMCM-DTWKUNHWSA-N -1 0 300.277 -0.373 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC001573883068 1026649522 /nfs/dbraw/zinc/64/95/22/1026649522.db2.gz WYUWGZDQFIEDOS-NXEZZACHSA-N -1 0 308.356 -0.850 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)N(CCC(=O)OC)CC(=O)[O-] ZINC001573879434 1026649675 /nfs/dbraw/zinc/64/96/75/1026649675.db2.gz CDMFVRHGYQPFHT-UHFFFAOYSA-N -1 0 322.383 -0.087 20 0 DBADRM CN1C[C@@H](CN2CCC(C(=O)[O-])([S@](C)=O)CC2)OC1=O ZINC001573883343 1026649972 /nfs/dbraw/zinc/64/99/72/1026649972.db2.gz VAGTYTDATSHRNO-LXGOIASLSA-N -1 0 304.368 -0.265 20 0 DBADRM CN1C[C@H](C(=O)Nc2ccn3ncc(C(=O)[O-])c3c2)NC1=O ZINC001573882820 1026649997 /nfs/dbraw/zinc/64/99/97/1026649997.db2.gz JTJLCEWJEKQKCG-SECBINFHSA-N -1 0 303.278 -0.005 20 0 DBADRM CN(C(=O)CN1CCN(C)C(=O)C1)[C@H](C(=O)[O-])c1cccnc1 ZINC001573884332 1026650843 /nfs/dbraw/zinc/65/08/43/1026650843.db2.gz CWHOAMPPIFZROT-AWEZNQCLSA-N -1 0 320.349 -0.560 20 0 DBADRM CN(CCc1ncon1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573876851 1026651076 /nfs/dbraw/zinc/65/10/76/1026651076.db2.gz VKYXUTSZTSJQHO-UHFFFAOYSA-N -1 0 301.284 -0.646 20 0 DBADRM CCOC(=O)[C@@H](C)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001573888292 1026651881 /nfs/dbraw/zinc/65/18/81/1026651881.db2.gz ULRMSIKGEHOTFO-VHSXEESVSA-N -1 0 314.338 -0.375 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)C1 ZINC001573884356 1026651998 /nfs/dbraw/zinc/65/19/98/1026651998.db2.gz DEHWJUVUQJYYGH-TUAOUCFPSA-N -1 0 309.322 -0.985 20 0 DBADRM CN1N=C(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccncc2)CCC1=O ZINC001573889312 1026652392 /nfs/dbraw/zinc/65/23/92/1026652392.db2.gz HROJZUMMCNYJDZ-NWDGAFQWSA-N -1 0 320.305 -0.707 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)Nc1nnc(CC(=O)[O-])s1 ZINC001573889186 1026652794 /nfs/dbraw/zinc/65/27/94/1026652794.db2.gz FUIJPPOTDIAIHH-YFKPBYRVSA-N -1 0 301.328 -0.189 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CC([C@H](F)C(=O)[O-])C1 ZINC001573889294 1026653000 /nfs/dbraw/zinc/65/30/00/1026653000.db2.gz GNZPRRZTGNCPBA-UTLUCORTSA-N -1 0 301.318 -0.035 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCCC(=O)[O-] ZINC001573887607 1026653498 /nfs/dbraw/zinc/65/34/98/1026653498.db2.gz FDGFJBDHOZQESG-YUMQZZPRSA-N -1 0 303.315 -0.783 20 0 DBADRM CNC(=O)[C@H]1CCN(CC(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001573889740 1026655215 /nfs/dbraw/zinc/65/52/15/1026655215.db2.gz VXNBQCFUQSJBRP-QMMMGPOBSA-N -1 0 309.326 -0.875 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573889914 1026655284 /nfs/dbraw/zinc/65/52/84/1026655284.db2.gz CULDVVLABMYSER-AXFHLTTASA-N -1 0 313.354 -0.356 20 0 DBADRM CNC(=O)COc1ccc(NC(=O)[C@@H](O)CC(=O)[O-])c(C)c1 ZINC001573890734 1026655440 /nfs/dbraw/zinc/65/54/40/1026655440.db2.gz VMJAXWSQYKIJDH-NSHDSACASA-N -1 0 310.306 -0.106 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)[C@@H]2CSCN2C(=O)[O-])cn1 ZINC001573890466 1026655529 /nfs/dbraw/zinc/65/55/29/1026655529.db2.gz PLXLMTYETKPVFZ-QMMMGPOBSA-N -1 0 313.339 -0.380 20 0 DBADRM CNC(=O)N[C@H]1CCCN(S(=O)(=O)C2(CC(=O)[O-])CC2)C1 ZINC001573889881 1026655688 /nfs/dbraw/zinc/65/56/88/1026655688.db2.gz BNEQABDLNQXWNK-VIFPVBQESA-N -1 0 319.383 -0.283 20 0 DBADRM COC(=O)CCN(C[C@H]1CCCO1)C(=O)[C@H](O)CC(=O)[O-] ZINC001573921820 1026665408 /nfs/dbraw/zinc/66/54/08/1026665408.db2.gz PQOIPKHVXBLWQU-NXEZZACHSA-N -1 0 303.311 -0.607 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573907328 1026659010 /nfs/dbraw/zinc/65/90/10/1026659010.db2.gz NVYXIGKKPVNZPG-YIZRAAEISA-N -1 0 301.295 -0.482 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)N[C@@H](COC)C(=O)[O-])c1 ZINC001573909808 1026659179 /nfs/dbraw/zinc/65/91/79/1026659179.db2.gz DRDWRAQDCWCXIH-JTQLQIEISA-N -1 0 316.335 -0.576 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001573910040 1026659990 /nfs/dbraw/zinc/65/99/90/1026659990.db2.gz GHNMSRKJRZOVDO-LBPRGKRZSA-N -1 0 315.351 -0.844 20 0 DBADRM CCOCCO[C@H](C)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001573914394 1026661510 /nfs/dbraw/zinc/66/15/10/1026661510.db2.gz ZGMYWHDMUJTROQ-SUNKGSAMSA-N -1 0 301.339 -0.012 20 0 DBADRM COC(=O)C[C@](C)(NC(=O)[C@H](O)CC(=O)[O-])c1ccncc1 ZINC001573914144 1026661576 /nfs/dbraw/zinc/66/15/76/1026661576.db2.gz FQCQZHZXDMNNEZ-YGRLFVJLSA-N -1 0 310.306 -0.188 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)c1ccnc2c(C(=O)[O-])cnn21 ZINC001573914805 1026661724 /nfs/dbraw/zinc/66/17/24/1026661724.db2.gz PABYUDITYHVUSE-VIFPVBQESA-N -1 0 304.262 -0.185 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001573915022 1026663411 /nfs/dbraw/zinc/66/34/11/1026663411.db2.gz DXHJBJOQYIDOEQ-IUCAKERBSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)C1(NC(=O)CCCN(C)C(=O)[O-])CC(CO)C1 ZINC001573916716 1026663443 /nfs/dbraw/zinc/66/34/43/1026663443.db2.gz WKCYLLVJWLFNHA-UHFFFAOYSA-N -1 0 302.327 -0.193 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1 ZINC001573915048 1026663885 /nfs/dbraw/zinc/66/38/85/1026663885.db2.gz FPCBLMLXGQDWTP-VWYCJHECSA-N -1 0 312.322 -0.275 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)C(=O)[O-])n(C)c1 ZINC001573940698 1026669406 /nfs/dbraw/zinc/66/94/06/1026669406.db2.gz MEYSEYPFPRXFMD-SSDOTTSWSA-N -1 0 304.324 -0.189 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](CSC)C(=O)[O-] ZINC001573921867 1026665338 /nfs/dbraw/zinc/66/53/38/1026665338.db2.gz RWHFXKKDTRBYOA-ZETCQYMHSA-N -1 0 314.385 -0.868 20 0 DBADRM COC(=O)N(C)CC(=O)N1CCC[C@H]1c1n[nH]nc1C(=O)[O-] ZINC001573922105 1026665561 /nfs/dbraw/zinc/66/55/61/1026665561.db2.gz CSTCXYMCIRXSCF-ZETCQYMHSA-N -1 0 311.298 -0.135 20 0 DBADRM COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)c1cc(C(=O)[O-])no1 ZINC001573925198 1026665738 /nfs/dbraw/zinc/66/57/38/1026665738.db2.gz HGDKKANYCRHPSC-MRVPVSSYSA-N -1 0 308.250 -0.390 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)Nc1cccn(CC(=O)[O-])c1=O ZINC001573925920 1026665841 /nfs/dbraw/zinc/66/58/41/1026665841.db2.gz PYOTUOGDBFQXFU-ZETCQYMHSA-N -1 0 315.257 -0.435 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([C@@H](F)C(=O)[O-])C2)O1 ZINC001573930376 1026667085 /nfs/dbraw/zinc/66/70/85/1026667085.db2.gz JMKBYJSAONAKCD-DOLQZWNJSA-N -1 0 303.286 -0.022 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N[C@H]2CCN(C(=O)[O-])C2)C1 ZINC001573930261 1026667275 /nfs/dbraw/zinc/66/72/75/1026667275.db2.gz JHKXBPMSSIRMOO-UTLUCORTSA-N -1 0 320.367 0.000 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([C@H](F)C(=O)[O-])C2)O1 ZINC001573930377 1026667478 /nfs/dbraw/zinc/66/74/78/1026667478.db2.gz JMKBYJSAONAKCD-IMSYWVGJSA-N -1 0 303.286 -0.022 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCN(C)C(=O)[O-] ZINC001573934692 1026667523 /nfs/dbraw/zinc/66/75/23/1026667523.db2.gz AGWUAQIWUFVYDG-IUCAKERBSA-N -1 0 317.342 -0.441 20 0 DBADRM COC1(C[C@@H](NC(=O)CCNC(=O)CO)C(=O)[O-])CCC1 ZINC001573955418 1026673867 /nfs/dbraw/zinc/67/38/67/1026673867.db2.gz YJXJWRGZLORTBB-SECBINFHSA-N -1 0 302.327 -0.986 20 0 DBADRM COC(=O)[C@@]1(NC(=O)[C@H]2CSCN2C(=O)[O-])C[C@H](O)C1 ZINC001573935397 1026668987 /nfs/dbraw/zinc/66/89/87/1026668987.db2.gz OIEMJPVSLHDTTG-AMXGMDGSSA-N -1 0 304.324 -0.778 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N([C@@H](C)C(=O)[O-])C2CC2)n[nH]1 ZINC001573937983 1026669005 /nfs/dbraw/zinc/66/90/05/1026669005.db2.gz HITPDXQRVCELMP-LURJTMIESA-N -1 0 317.323 -0.178 20 0 DBADRM COC(=O)[C@H](C)N(C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573935623 1026669537 /nfs/dbraw/zinc/66/95/37/1026669537.db2.gz VGECDBVLDRTAJZ-LURJTMIESA-N -1 0 305.312 -0.402 20 0 DBADRM COC(=O)c1cc(C)nc(N[C@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001573939116 1026669706 /nfs/dbraw/zinc/66/97/06/1026669706.db2.gz TVABYAZNXXDCFZ-WPRPVWTQSA-N -1 0 310.310 -0.046 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)C1 ZINC001573935281 1026670249 /nfs/dbraw/zinc/67/02/49/1026670249.db2.gz NLKRKLKRGYSRQM-UTINFBMNSA-N -1 0 300.311 -0.728 20 0 DBADRM COC(=O)c1ccc(CNC(=O)[C@H](O)CC(=O)[O-])cc1OC ZINC001573940555 1026670363 /nfs/dbraw/zinc/67/03/63/1026670363.db2.gz FXBLWWBDTWUQAS-SNVBAGLBSA-N -1 0 311.290 -0.066 20 0 DBADRM COC(=O)c1cnc(CN[C@@H]2CN(C(=O)[O-])C[C@H]2CO)s1 ZINC001573943466 1026671261 /nfs/dbraw/zinc/67/12/61/1026671261.db2.gz WZZIHVYNHLOAQR-JGVFFNPUSA-N -1 0 315.351 -0.010 20 0 DBADRM COC(=O)c1ccn(CC(=O)NC2CCN(C(=O)[O-])CC2)n1 ZINC001573943490 1026672098 /nfs/dbraw/zinc/67/20/98/1026672098.db2.gz XGFNRIZJUHBIRH-UHFFFAOYSA-N -1 0 310.310 -0.072 20 0 DBADRM COC(=O)c1cnn(CC(=O)NCc2[nH]cnc2C(=O)[O-])c1 ZINC001573948773 1026673347 /nfs/dbraw/zinc/67/33/47/1026673347.db2.gz SJOIGDJKTNOZLC-UHFFFAOYSA-N -1 0 307.266 -0.593 20 0 DBADRM CO[C@H](CNC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO)C1CC1 ZINC001573949057 1026673454 /nfs/dbraw/zinc/67/34/54/1026673454.db2.gz MKJUCDOAOXBLIP-OUAUKWLOSA-N -1 0 301.343 -0.319 20 0 DBADRM COC1(C(=O)Nc2cn(C)cc2C(=O)[O-])CS(=O)(=O)C1 ZINC001573949907 1026673927 /nfs/dbraw/zinc/67/39/27/1026673927.db2.gz WFTWWTKEVUBUDX-UHFFFAOYSA-N -1 0 302.308 -0.525 20 0 DBADRM COC1(C(=O)N(C)c2nc(C(=O)[O-])co2)CS(=O)(=O)C1 ZINC001573949210 1026674320 /nfs/dbraw/zinc/67/43/20/1026674320.db2.gz OXALQUAPNJDNTM-UHFFFAOYSA-N -1 0 304.280 -0.851 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)NCc3nc(C(=O)[O-])n[nH]3)nc2C1 ZINC001573957361 1026675410 /nfs/dbraw/zinc/67/54/10/1026675410.db2.gz PNMXIGOPSLCBSX-ZETCQYMHSA-N -1 0 320.309 -0.409 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C1CC1)S(=O)(=O)c1cnc(N)nc1 ZINC001573966252 1026677010 /nfs/dbraw/zinc/67/70/10/1026677010.db2.gz GDWOAYHHMAJBMC-VIFPVBQESA-N -1 0 316.339 -0.689 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573966539 1026677263 /nfs/dbraw/zinc/67/72/63/1026677263.db2.gz JRWBXOLHCYZPEL-VXNVDRBHSA-N -1 0 319.339 -0.562 20 0 DBADRM COC[C@H](NC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO)C1CC1 ZINC001573969153 1026678721 /nfs/dbraw/zinc/67/87/21/1026678721.db2.gz RXSOGKBDVPGODQ-VWYCJHECSA-N -1 0 301.343 -0.319 20 0 DBADRM COC[C@H](C)OC(=O)N1CCOC[C@@H]1C(=O)NCC(=O)[O-] ZINC001573969072 1026678912 /nfs/dbraw/zinc/67/89/12/1026678912.db2.gz QFUBROMBYSQCPQ-DTWKUNHWSA-N -1 0 304.299 -0.941 20 0 DBADRM COC[C@H](NC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO)C1CC1 ZINC001573969149 1026679087 /nfs/dbraw/zinc/67/90/87/1026679087.db2.gz RXSOGKBDVPGODQ-DCAQKATOSA-N -1 0 301.343 -0.319 20 0 DBADRM COCCn1ccc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001573985105 1026683099 /nfs/dbraw/zinc/68/30/99/1026683099.db2.gz HJWWDFCYXDVRAM-GXSJLCMTSA-N -1 0 312.326 -0.770 20 0 DBADRM COC[C@H](NC(=O)CN1CCCC2(CC2)S1(=O)=O)C(=O)[O-] ZINC001573984978 1026684027 /nfs/dbraw/zinc/68/40/27/1026684027.db2.gz FWIJSTBFAWTZNZ-VIFPVBQESA-N -1 0 320.367 -0.840 20 0 DBADRM COCC[C@H](C)CNC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573976681 1026684176 /nfs/dbraw/zinc/68/41/76/1026684176.db2.gz ZJYJZPVSPUBTKM-AXFHLTTASA-N -1 0 303.359 -0.071 20 0 DBADRM COC[C@H](NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001573986094 1026685716 /nfs/dbraw/zinc/68/57/16/1026685716.db2.gz SRKOUEJJMHTIAE-IUCAKERBSA-N -1 0 320.342 -0.522 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)NCCC(C)(C)C(=O)[O-] ZINC001573991437 1026685784 /nfs/dbraw/zinc/68/57/84/1026685784.db2.gz ILALLWFFHAFPAG-GOSISDBHSA-N -1 0 315.417 -0.104 20 0 DBADRM CO[C@@H]1CN([C@@H](C)C(=O)N2CCC[C@H](C(=O)[O-])C2)C[C@H]1O ZINC001573992012 1026686267 /nfs/dbraw/zinc/68/62/67/1026686267.db2.gz BUXFPZVCRQEOJS-NNYUYHANSA-N -1 0 300.355 -0.610 20 0 DBADRM COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)CC(=O)[O-] ZINC001573986229 1026686359 /nfs/dbraw/zinc/68/63/59/1026686359.db2.gz UYYHOYXIWNJTAA-IUCAKERBSA-N -1 0 320.342 -0.522 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)N1CCO[C@](C)(C(=O)[O-])C1 ZINC001573992039 1026686365 /nfs/dbraw/zinc/68/63/65/1026686365.db2.gz DROBJNVCQGAOBS-BREBYQMCSA-N -1 0 302.327 -0.325 20 0 DBADRM CO[C@@H]1CN([C@@H](C)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C[C@H]1O ZINC001573992011 1026686534 /nfs/dbraw/zinc/68/65/34/1026686534.db2.gz BUXFPZVCRQEOJS-IRCOFANPSA-N -1 0 300.355 -0.610 20 0 DBADRM COCCS(=O)(=O)CC(=O)Nc1[nH]c(C)nc1C(=O)[O-] ZINC001573985722 1026686627 /nfs/dbraw/zinc/68/66/27/1026686627.db2.gz QMNPDMUGGFALSN-UHFFFAOYSA-N -1 0 305.312 -0.584 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cccnc1C(=O)OC)C(=O)[O-] ZINC001573990658 1026686836 /nfs/dbraw/zinc/68/68/36/1026686836.db2.gz JSZKGESTBALJGE-ZETCQYMHSA-N -1 0 318.307 -0.754 20 0 DBADRM CO[C@@H]1COC[C@@H]1NCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001573992519 1026687632 /nfs/dbraw/zinc/68/76/32/1026687632.db2.gz RPIUMRHNGOULNA-DTWKUNHWSA-N -1 0 315.351 -0.288 20 0 DBADRM CC(C)C(C)(C)NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001573996475 1026688534 /nfs/dbraw/zinc/68/85/34/1026688534.db2.gz TUBLINZRQGYORY-UHFFFAOYSA-N -1 0 321.341 -0.320 20 0 DBADRM COc1cc(OC)nc(C(=O)N2CCO[C@@](C)(C(=O)[O-])C2)n1 ZINC001574025788 1026689645 /nfs/dbraw/zinc/68/96/45/1026689645.db2.gz ATIUHSIZDQJHMG-CYBMUJFWSA-N -1 0 311.294 -0.191 20 0 DBADRM COc1ccc(-n2cc(C(=O)N[C@@H](CO)CC(=O)[O-])nn2)cc1 ZINC001574023402 1026689736 /nfs/dbraw/zinc/68/97/36/1026689736.db2.gz HIFSWFNZJWYCLJ-SECBINFHSA-N -1 0 320.305 -0.159 20 0 DBADRM CN1CCN(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)CC1 ZINC001574029574 1026690032 /nfs/dbraw/zinc/69/00/32/1026690032.db2.gz AEYIFBNOELQSBP-UHFFFAOYSA-N -1 0 305.400 -0.288 20 0 DBADRM COc1cc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccncc2)ncn1 ZINC001574012816 1026690118 /nfs/dbraw/zinc/69/01/18/1026690118.db2.gz WLGYFYJRIXJZPO-NEPJUHHUSA-N -1 0 318.289 -0.203 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001574037401 1026692362 /nfs/dbraw/zinc/69/23/62/1026692362.db2.gz VMRRJENTPXCSFS-LNLATYFQSA-N -1 0 304.368 -0.363 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001574037546 1026692697 /nfs/dbraw/zinc/69/26/97/1026692697.db2.gz ZWVDVHMWIXMHCD-MGCOHNPYSA-N -1 0 319.383 -0.858 20 0 DBADRM CNc1ncccc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001574037527 1026692502 /nfs/dbraw/zinc/69/25/02/1026692502.db2.gz BCYSZHFNOPSFQJ-VIFPVBQESA-N -1 0 313.335 -0.553 20 0 DBADRM COC(=O)[C@H](NC(=O)COCC(=O)[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC001574045075 1026693393 /nfs/dbraw/zinc/69/33/93/1026693393.db2.gz ATOKHJJPBAMZBY-GIPNMCIBSA-N -1 0 317.338 -0.049 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)NCCCC(=O)[O-] ZINC001574038637 1026693717 /nfs/dbraw/zinc/69/37/17/1026693717.db2.gz HREMSTBLFNDVEG-SECBINFHSA-N -1 0 302.331 -0.809 20 0 DBADRM COc1cnc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccncc2)nc1 ZINC001574052739 1026694261 /nfs/dbraw/zinc/69/42/61/1026694261.db2.gz XDXFUOVHANYQEI-GHMZBOCLSA-N -1 0 318.289 -0.203 20 0 DBADRM COc1cnc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)c(F)c1 ZINC001574052270 1026694386 /nfs/dbraw/zinc/69/43/86/1026694386.db2.gz KDDGEQULODHDGB-XCBNKYQSSA-N -1 0 313.285 -0.070 20 0 DBADRM COc1ncnc(OC)c1C(=O)NCc1[nH]cnc1C(=O)[O-] ZINC001574054676 1026694654 /nfs/dbraw/zinc/69/46/54/1026694654.db2.gz OOUASLSEALPRAL-UHFFFAOYSA-N -1 0 307.266 -0.155 20 0 DBADRM COC(=O)[C@@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1ccc(O)cc1 ZINC001574048485 1026694904 /nfs/dbraw/zinc/69/49/04/1026694904.db2.gz YDPVGGHHJGTUGD-QWRGUYRKSA-N -1 0 322.273 -0.048 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](C)CC(=O)[O-])C1=O ZINC001574046985 1026694956 /nfs/dbraw/zinc/69/49/56/1026694956.db2.gz IURLFVWBFMBDQA-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM COc1nn(C)cc1NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001574053731 1026695146 /nfs/dbraw/zinc/69/51/46/1026695146.db2.gz DNHKROGHXACGOY-HTQZYQBOSA-N -1 0 313.314 -0.479 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)NC[C@@H](C)C(=O)[O-])C1=O ZINC001574047061 1026695158 /nfs/dbraw/zinc/69/51/58/1026695158.db2.gz JXLOUHRGTNKEPI-RKDXNWHRSA-N -1 0 300.311 -0.765 20 0 DBADRM COC(=O)C1(O)CN(C(=O)NCc2ccccc2C(=O)[O-])C1 ZINC001574048221 1026695163 /nfs/dbraw/zinc/69/51/63/1026695163.db2.gz YPIFIPAWTCGXNI-UHFFFAOYSA-N -1 0 308.290 -0.186 20 0 DBADRM CS(=O)(=O)CC1(C(=O)Nc2ccc(C(=O)[O-])nc2)COC1 ZINC001574057184 1026695830 /nfs/dbraw/zinc/69/58/30/1026695830.db2.gz IKGFJGGBBZACLG-UHFFFAOYSA-N -1 0 314.319 -0.221 20 0 DBADRM COc1nccc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001574055675 1026696014 /nfs/dbraw/zinc/69/60/14/1026696014.db2.gz VEGLJSBRVQNRRW-JGVFFNPUSA-N -1 0 311.298 -0.423 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1c[nH]c(C(=O)OC)c1 ZINC001574055534 1026696107 /nfs/dbraw/zinc/69/61/07/1026696107.db2.gz DIXFUSPUTMMZOW-UHFFFAOYSA-N -1 0 312.278 -0.109 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001574056688 1026696131 /nfs/dbraw/zinc/69/61/31/1026696131.db2.gz DITCTURFZFICSD-JTQLQIEISA-N -1 0 301.320 -0.480 20 0 DBADRM CS(=O)(=O)Cc1ccccc1CNC(=O)[C@@H](O)CC(=O)[O-] ZINC001574057379 1026696429 /nfs/dbraw/zinc/69/64/29/1026696429.db2.gz LLLVSIPNXDYBRC-NSHDSACASA-N -1 0 315.347 -0.317 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc(C(N)=O)nc1 ZINC001574056936 1026696462 /nfs/dbraw/zinc/69/64/62/1026696462.db2.gz XVOIJRQBMIGBGE-UHFFFAOYSA-N -1 0 309.278 -0.730 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C1=C[S@](=O)CCC1 ZINC001574055909 1026696532 /nfs/dbraw/zinc/69/65/32/1026696532.db2.gz RQMIHMHWJZJSDT-HXUWFJFHSA-N -1 0 303.336 -0.111 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C[C@H]1CCC(=O)NC1 ZINC001574056072 1026696600 /nfs/dbraw/zinc/69/66/00/1026696600.db2.gz UUGUWEGHZXPDNI-SECBINFHSA-N -1 0 300.311 -0.621 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)N2CC([C@H](F)C(=O)[O-])C2)CC1 ZINC001574057490 1026697270 /nfs/dbraw/zinc/69/72/70/1026697270.db2.gz NXNNQRXSEBFREY-QMMMGPOBSA-N -1 0 308.331 -0.372 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001574057757 1026698036 /nfs/dbraw/zinc/69/80/36/1026698036.db2.gz YGKBGEHSRYSBBW-MNOVXSKESA-N -1 0 316.335 -0.881 20 0 DBADRM CS(=O)(=O)C1(C(=O)[O-])CCN(CCc2cn[nH]c2)CC1 ZINC001574057692 1026698098 /nfs/dbraw/zinc/69/80/98/1026698098.db2.gz VRJOCPOOUXYMJN-UHFFFAOYSA-N -1 0 301.368 -0.084 20 0 DBADRM CS(=O)(=O)C1(C(=O)[O-])CCN(C(=O)CCCC(N)=O)CC1 ZINC001574057696 1026698171 /nfs/dbraw/zinc/69/81/71/1026698171.db2.gz VWNQIMYDDIPUPC-UHFFFAOYSA-N -1 0 320.367 -0.868 20 0 DBADRM CS(=O)(=O)c1ccc(CCC(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC001574059128 1026698600 /nfs/dbraw/zinc/69/86/00/1026698600.db2.gz DZWAVSSEUIFDLS-NSHDSACASA-N -1 0 315.347 -0.416 20 0 DBADRM CS(=O)(=O)NCCC(=O)NCc1nc(CC(=O)[O-])cs1 ZINC001574059592 1026698704 /nfs/dbraw/zinc/69/87/04/1026698704.db2.gz OYMNJPYFIXHJKM-UHFFFAOYSA-N -1 0 321.380 -0.674 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001574060068 1026699964 /nfs/dbraw/zinc/69/99/64/1026699964.db2.gz WDRKILVRCVAJAF-UHFFFAOYSA-N -1 0 317.323 -0.520 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)CC[C@H]1CCOC1)C(=O)[O-] ZINC001574066006 1026700012 /nfs/dbraw/zinc/70/00/12/1026700012.db2.gz IJTOHPSXNYNWEO-ZJUUUORDSA-N -1 0 323.367 -0.261 20 0 DBADRM CS(=O)(=O)NCc1ccccc1NC(=O)CNC(=O)[O-] ZINC001574059876 1026700047 /nfs/dbraw/zinc/70/00/47/1026700047.db2.gz RMQFFFMUYZJIKM-UHFFFAOYSA-N -1 0 301.324 -0.058 20 0 DBADRM COC(=O)[C@@H](O)CCNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001574076201 1026700086 /nfs/dbraw/zinc/70/00/86/1026700086.db2.gz VLQDHEIMFNXHOV-AEJSXWLSSA-N -1 0 303.311 -0.704 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N(CC(=O)[O-])C(C)C ZINC001574081963 1026702078 /nfs/dbraw/zinc/70/20/78/1026702078.db2.gz SGINVSLPCHZNAW-UHFFFAOYSA-N -1 0 319.339 -0.012 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC001574104540 1026704596 /nfs/dbraw/zinc/70/45/96/1026704596.db2.gz IFXUXYNEKXFFHJ-HLTSFMKQSA-N -1 0 308.356 -0.937 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)c2n[nH]cc2F)CC1 ZINC001574097562 1026704704 /nfs/dbraw/zinc/70/47/04/1026704704.db2.gz QFGLNZOGPWVEHH-FQEVSTJZSA-N -1 0 303.315 -0.013 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)c2csnn2)CC1 ZINC001574097681 1026704742 /nfs/dbraw/zinc/70/47/42/1026704742.db2.gz RABHZCPQAMIYFG-LJQANCHMSA-N -1 0 303.365 -0.024 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001574099305 1026704823 /nfs/dbraw/zinc/70/48/23/1026704823.db2.gz WPLOETWGZZEUEI-UJVNDKKSSA-N -1 0 320.342 -0.788 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC001574100111 1026705179 /nfs/dbraw/zinc/70/51/79/1026705179.db2.gz BUMZXJYWLGTBKA-QNSHHTMESA-N -1 0 310.310 -0.870 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC001574102172 1026705268 /nfs/dbraw/zinc/70/52/68/1026705268.db2.gz RQVCFCDGBQYRBD-DTWKUNHWSA-N -1 0 308.356 -0.984 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC001574097726 1026706056 /nfs/dbraw/zinc/70/60/56/1026706056.db2.gz RXORMMQREZCGQR-SECBINFHSA-N -1 0 314.385 -0.570 20 0 DBADRM Cc1n[nH]c(C[NH2+][C@H]2C(=O)NCC23CCOCC3)c1C(=O)[O-] ZINC001574114034 1026706372 /nfs/dbraw/zinc/70/63/72/1026706372.db2.gz SLSIKKJFIVIPFP-NSHDSACASA-N -1 0 308.338 -0.199 20 0 DBADRM Cc1n[nH]c(CN2CC[C@H](CNS(C)(=O)=O)C2)c1C(=O)[O-] ZINC001574113866 1026706970 /nfs/dbraw/zinc/70/69/70/1026706970.db2.gz PUWMGDNBVLYPFX-SECBINFHSA-N -1 0 316.383 -0.213 20 0 DBADRM Cc1n[nH]c(CN2CC[C@@H](CNS(C)(=O)=O)C2)c1C(=O)[O-] ZINC001574113870 1026707472 /nfs/dbraw/zinc/70/74/72/1026707472.db2.gz PUWMGDNBVLYPFX-VIFPVBQESA-N -1 0 316.383 -0.213 20 0 DBADRM Cc1cc(C)nc(N2CCN(C(=O)[C@@H](O)CC(=O)[O-])CC2)n1 ZINC001574135577 1026710732 /nfs/dbraw/zinc/71/07/32/1026710732.db2.gz VAZKRMOGSVIJBC-NSHDSACASA-N -1 0 308.338 -0.422 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[C@@H](NC(=O)[C@@H](O)CC(=O)[O-])C2)n1 ZINC001574126834 1026711165 /nfs/dbraw/zinc/71/11/65/1026711165.db2.gz GLXPHHSZWZOUSH-BDAKNGLRSA-N -1 0 310.310 -0.979 20 0 DBADRM Cc1cc(CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)ncn1 ZINC001574135396 1026711285 /nfs/dbraw/zinc/71/12/85/1026711285.db2.gz SVNLUXDKQBDGFK-KOLCDFICSA-N -1 0 309.326 -0.445 20 0 DBADRM Cc1cc(NC(=O)C2(S(C)(=O)=O)CC2)n(CC(=O)[O-])n1 ZINC001574141943 1026712849 /nfs/dbraw/zinc/71/28/49/1026712849.db2.gz XGICCHDYWQMQCL-UHFFFAOYSA-N -1 0 301.324 -0.208 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)NCc1[nH]cnc1C(=O)[O-] ZINC001574144859 1026712884 /nfs/dbraw/zinc/71/28/84/1026712884.db2.gz ULVPOHQJTHEMLM-UHFFFAOYSA-N -1 0 320.305 -0.010 20 0 DBADRM Cc1cc(NC(=O)CCn2cnccc2=O)n(CC(=O)[O-])n1 ZINC001574141843 1026712927 /nfs/dbraw/zinc/71/29/27/1026712927.db2.gz UGJQJOHVVKYOSJ-UHFFFAOYSA-N -1 0 305.294 -0.138 20 0 DBADRM Cc1cc(NC(=O)[C@H]2CCS(=O)(=O)C2)n(CC(=O)[O-])n1 ZINC001574141682 1026713931 /nfs/dbraw/zinc/71/39/31/1026713931.db2.gz PRWGXKLRMVVGRC-QMMMGPOBSA-N -1 0 301.324 -0.351 20 0 DBADRM COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001574164006 1026715060 /nfs/dbraw/zinc/71/50/60/1026715060.db2.gz AYGCDUXGCPKDFM-SDBXPKJASA-N -1 0 320.342 -0.522 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CCO1 ZINC001574147039 1026715970 /nfs/dbraw/zinc/71/59/70/1026715970.db2.gz QORHVYAFCPOSKT-HFAKWTLXSA-N -1 0 323.349 -0.148 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCC1(CC(N)=O)CC1 ZINC001574157085 1026716459 /nfs/dbraw/zinc/71/64/59/1026716459.db2.gz HRDLFDJZCRCNQU-UHFFFAOYSA-N -1 0 301.343 -0.225 20 0 DBADRM COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001574164004 1026716709 /nfs/dbraw/zinc/71/67/09/1026716709.db2.gz AYGCDUXGCPKDFM-ISVAXAHUSA-N -1 0 320.342 -0.522 20 0 DBADRM Cc1nnc(CNS(=O)(=O)C2CCN(C(=O)[O-])CC2)[nH]1 ZINC001574178748 1026717838 /nfs/dbraw/zinc/71/78/38/1026717838.db2.gz NSYXYFDQWPUDOP-UHFFFAOYSA-N -1 0 303.344 -0.325 20 0 DBADRM Cc1ccn(C[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])n1 ZINC001574173377 1026717875 /nfs/dbraw/zinc/71/78/75/1026717875.db2.gz YBNYQGVESWWDKW-JMJZKYOTSA-N -1 0 310.354 -0.078 20 0 DBADRM Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)[C@@H](O)CC(=O)[O-] ZINC001574165900 1026717888 /nfs/dbraw/zinc/71/78/88/1026717888.db2.gz IAINCDSKHROITM-AAEUAGOBSA-N -1 0 306.318 -0.170 20 0 DBADRM Cc1cnn(CC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccncc2)c1 ZINC001574179377 1026718449 /nfs/dbraw/zinc/71/84/49/1026718449.db2.gz IGNUKJDEOJXOIV-OLZOCXBDSA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1cn2nnc(C(=O)N3CC([C@H](C)C(=O)[O-])C3)c2c(=O)[nH]1 ZINC001574173215 1026718498 /nfs/dbraw/zinc/71/84/98/1026718498.db2.gz OVDKQYLHLAGRJX-ZETCQYMHSA-N -1 0 305.294 -0.069 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001574179384 1026718551 /nfs/dbraw/zinc/71/85/51/1026718551.db2.gz UFJBUXVEBNDLRS-RKDXNWHRSA-N -1 0 318.355 -0.724 20 0 DBADRM Cc1cn2nnc(C(=O)N3CSC[C@@H]3C(=O)[O-])c2c(=O)[nH]1 ZINC001574172722 1026718561 /nfs/dbraw/zinc/71/85/61/1026718561.db2.gz JUXSKVWFEQVWAR-ZCFIWIBFSA-N -1 0 309.307 -0.262 20 0 DBADRM Cc1cncc(S(=O)(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)c1 ZINC001574178701 1026718662 /nfs/dbraw/zinc/71/86/62/1026718662.db2.gz BCUMYZFKCUIDIT-ONGXEEELSA-N -1 0 315.351 -0.361 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCC(C)(C)OCCO)c1C(=O)[O-] ZINC001574182597 1026719187 /nfs/dbraw/zinc/71/91/87/1026719187.db2.gz PNUNJMDDSKQCAJ-UHFFFAOYSA-N -1 0 321.355 -0.518 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H](CO)CC(F)F)c1C(=O)[O-] ZINC001574182885 1026719285 /nfs/dbraw/zinc/71/92/85/1026719285.db2.gz SPKHKKGYMFUKSQ-YFKPBYRVSA-N -1 0 313.282 -0.289 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@H]2CCCN2C)c1C(=O)[O-] ZINC001574182988 1026719307 /nfs/dbraw/zinc/71/93/07/1026719307.db2.gz VINOYJJEIXXPII-MRVPVSSYSA-N -1 0 302.356 -0.211 20 0 DBADRM COc1cc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n(C)n1 ZINC001574186082 1026719610 /nfs/dbraw/zinc/71/96/10/1026719610.db2.gz JROWGYUNNSWBJC-MRVPVSSYSA-N -1 0 310.310 -0.310 20 0 DBADRM Cc1conc1CS(=O)(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001574180931 1026720168 /nfs/dbraw/zinc/72/01/68/1026720168.db2.gz XPUKKUGLGHFPJW-HTQZYQBOSA-N -1 0 319.339 -0.620 20 0 DBADRM Cc1nc(C(=O)N2CCC[C@H](NC(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001574181657 1026720315 /nfs/dbraw/zinc/72/03/15/1026720315.db2.gz CVPNLXDTCAHAKG-QMMMGPOBSA-N -1 0 320.313 -0.434 20 0 DBADRM Cc1nc(CNC(=O)CCCS(N)(=O)=O)sc1C(=O)[O-] ZINC001574187346 1026720632 /nfs/dbraw/zinc/72/06/32/1026720632.db2.gz IRTCRTYPLDFEIJ-UHFFFAOYSA-N -1 0 321.380 -0.165 20 0 DBADRM Cc1nc(CCC(=O)[O-])cc(N2CC(S(N)(=O)=O)C2)n1 ZINC001574188777 1026721676 /nfs/dbraw/zinc/72/16/76/1026721676.db2.gz XBFYYROUMGMEDV-UHFFFAOYSA-N -1 0 300.340 -0.721 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@H]2CCCN(C)C2=O)c1C(=O)[O-] ZINC001574181951 1026721036 /nfs/dbraw/zinc/72/10/36/1026721036.db2.gz GOMKOJUDXUGHGB-ZETCQYMHSA-N -1 0 316.339 -0.685 20 0 DBADRM COc1cc(OC)nc(C(=O)NC2(C(=O)[O-])CCOCC2)n1 ZINC001574194766 1026721505 /nfs/dbraw/zinc/72/15/05/1026721505.db2.gz GKAGECLMQFDFPW-UHFFFAOYSA-N -1 0 311.294 -0.143 20 0 DBADRM Cc1nc(CCC(=O)[O-])cc(NC[C@H](O)CS(C)(=O)=O)n1 ZINC001574188751 1026721535 /nfs/dbraw/zinc/72/15/35/1026721535.db2.gz WDJRXXMHFFMNJN-JTQLQIEISA-N -1 0 317.367 -0.380 20 0 DBADRM Cc1nc(CCC(=O)[O-])cc(NC[C@@H](O)CS(C)(=O)=O)n1 ZINC001574188752 1026721909 /nfs/dbraw/zinc/72/19/09/1026721909.db2.gz WDJRXXMHFFMNJN-SNVBAGLBSA-N -1 0 317.367 -0.380 20 0 DBADRM Cc1nnsc1CNC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001574197023 1026722117 /nfs/dbraw/zinc/72/21/17/1026722117.db2.gz GDTFXWPCAVLNPL-YUMQZZPRSA-N -1 0 315.355 -0.384 20 0 DBADRM Cc1nnc2ccc(C(=O)N[C@@H]3CN(C(=O)[O-])C[C@H]3CO)cn12 ZINC001574197432 1026722456 /nfs/dbraw/zinc/72/24/56/1026722456.db2.gz JBBGLUYZTXYDAO-WDEREUQCSA-N -1 0 319.321 -0.262 20 0 DBADRM Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)CNC(=O)[O-])n1 ZINC001574190589 1026722672 /nfs/dbraw/zinc/72/26/72/1026722672.db2.gz BHTMTXBKHVIDAF-VHSXEESVSA-N -1 0 309.326 -0.262 20 0 DBADRM Cc1nn(CC(=O)NC2(C(=O)[O-])Cc3ccccc3C2)c(=O)o1 ZINC001574197950 1026722735 /nfs/dbraw/zinc/72/27/35/1026722735.db2.gz IPLSXQPFJVKOAE-UHFFFAOYSA-N -1 0 317.301 -0.117 20 0 DBADRM Cc1nnc(N2CCN(C(=O)[O-])CC2)n1Cc1nncn1C ZINC001574199643 1026723969 /nfs/dbraw/zinc/72/39/69/1026723969.db2.gz CZYCHZQPLGFBCF-UHFFFAOYSA-N -1 0 306.330 -0.437 20 0 DBADRM Cc1nn(CCS(=O)(=O)NC[C@H](C)CC(=O)[O-])c(=O)o1 ZINC001574199522 1026724728 /nfs/dbraw/zinc/72/47/28/1026724728.db2.gz CEWNDYDWOYOLFB-SSDOTTSWSA-N -1 0 307.328 -0.825 20 0 DBADRM Cc1nnnn1-c1cc(NC(=O)[C@@H](O)CC(=O)[O-])ccc1F ZINC001574198250 1026724870 /nfs/dbraw/zinc/72/48/70/1026724870.db2.gz PWPIMGCNBIOTRL-JTQLQIEISA-N -1 0 309.257 -0.116 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N[C@@H](C)c1nc(C(=O)[O-])n[nH]1)CC2 ZINC001574198722 1026724910 /nfs/dbraw/zinc/72/49/10/1026724910.db2.gz UQDQJLCAVUPRCR-XPUUQOCRSA-N -1 0 319.325 -0.157 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@@H](C(=O)N[C@@H](CO)CC(=O)[O-])C1 ZINC001574198066 1026724933 /nfs/dbraw/zinc/72/49/33/1026724933.db2.gz LLWCIBROUZTMKP-LDYMZIIASA-N -1 0 310.310 -0.827 20 0 DBADRM Cc1nnc(N2CCC[C@H](NC(=O)[O-])C2)n1Cc1cnnn1C ZINC001574200793 1026724945 /nfs/dbraw/zinc/72/49/45/1026724945.db2.gz PQQBIVMVIJZLJP-JTQLQIEISA-N -1 0 320.357 0.000 20 0 DBADRM Cc1noc(CCNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001574198301 1026724965 /nfs/dbraw/zinc/72/49/65/1026724965.db2.gz SFQHMRYZMJWIEF-DTWKUNHWSA-N -1 0 313.314 -0.810 20 0 DBADRM Cc1nnc(N2CCC[C@@H](NC(=O)[O-])C2)n1Cc1nncn1C ZINC001574200441 1026725002 /nfs/dbraw/zinc/72/50/02/1026725002.db2.gz LPOZMPWCCFHYOC-SNVBAGLBSA-N -1 0 320.357 0.000 20 0 DBADRM C[C@@H](NC(=O)[C@@H](C)NC(=O)C1=NC(=O)C(C)S1)C(=O)[O-] ZINC001574208264 1026725849 /nfs/dbraw/zinc/72/58/49/1026725849.db2.gz YDQFOXLXDCVZSN-RFZPGFLSSA-N -1 0 301.324 -0.135 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NC(=O)C1=NC(=O)C(C)S1)C(=O)[O-] ZINC001574208263 1026725887 /nfs/dbraw/zinc/72/58/87/1026725887.db2.gz YDQFOXLXDCVZSN-CRCLSJGQSA-N -1 0 301.324 -0.135 20 0 DBADRM Cn1c(=O)cc(N2CCC(C(=O)[O-])([S@](C)=O)CC2)[nH]c1=O ZINC001574210079 1026726917 /nfs/dbraw/zinc/72/69/17/1026726917.db2.gz WZPCUTCYEIPKLM-NRFANRHFSA-N -1 0 315.351 -0.712 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2C[C@H](CCO)[C@H](CO)C2)n1 ZINC001574211411 1026726970 /nfs/dbraw/zinc/72/69/70/1026726970.db2.gz HSYLTKPVZKBSIC-IUCAKERBSA-N -1 0 312.326 -0.427 20 0 DBADRM Cn1cc(CCC(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)nn1 ZINC001574211511 1026727364 /nfs/dbraw/zinc/72/73/64/1026727364.db2.gz CWKXHKFZULDCIX-QWHCGFSZSA-N -1 0 319.321 -0.554 20 0 DBADRM Cn1cc(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001574212827 1026728166 /nfs/dbraw/zinc/72/81/66/1026728166.db2.gz SXOPCJALBLJCFI-QMMMGPOBSA-N -1 0 310.310 -0.508 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)cn1 ZINC001574212837 1026728427 /nfs/dbraw/zinc/72/84/27/1026728427.db2.gz UEDVAQDQQSNCSJ-UTUOFQBUSA-N -1 0 320.305 -0.849 20 0 DBADRM Cn1cc(CCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccncc2)nn1 ZINC001574212429 1026729182 /nfs/dbraw/zinc/72/91/82/1026729182.db2.gz MNGYEPANKNNUKO-OLZOCXBDSA-N -1 0 319.321 -0.554 20 0 DBADRM Cn1cc(C(=O)N2CCC(C(=O)NCC(=O)[O-])CC2)ccc1=O ZINC001574212145 1026729547 /nfs/dbraw/zinc/72/95/47/1026729547.db2.gz RKZVUSBYNXFHMT-UHFFFAOYSA-N -1 0 321.333 -0.562 20 0 DBADRM Cn1ncc(C(=O)NCC2(C(=O)[O-])CCC2)c1-n1cnnc1 ZINC001574226252 1026730120 /nfs/dbraw/zinc/73/01/20/1026730120.db2.gz AFZUCJLIANILPN-UHFFFAOYSA-N -1 0 304.310 -0.015 20 0 DBADRM Cn1cc(NC(=O)NC[C@H](O)Cn2ccnn2)c(C(=O)[O-])c1 ZINC001574220025 1026730188 /nfs/dbraw/zinc/73/01/88/1026730188.db2.gz JUPDUBLNHOEFSK-QMMMGPOBSA-N -1 0 308.298 -0.503 20 0 DBADRM Cn1cc(NC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c(C(=O)[O-])c1 ZINC001574220532 1026730803 /nfs/dbraw/zinc/73/08/03/1026730803.db2.gz OKLCWJANRMGIBS-OIBJUYFYSA-N -1 0 310.310 -0.122 20 0 DBADRM Cn1ccn2c(CN3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])nnc2c1=O ZINC001574224278 1026730887 /nfs/dbraw/zinc/73/08/87/1026730887.db2.gz HNTAACXXEHYUGS-NGZCFLSTSA-N -1 0 303.322 -0.135 20 0 DBADRM Cn1cc(S(=O)(=O)N(CC(=O)[O-])C2CCC2)c(=O)[nH]c1=O ZINC001574220257 1026731135 /nfs/dbraw/zinc/73/11/35/1026731135.db2.gz LIHUDYYFYFPTNK-UHFFFAOYSA-N -1 0 317.323 -0.886 20 0 DBADRM Cn1ccnc(NC(=O)N2C[C@@H](C(=O)[O-])C3(COC3)C2)c1=O ZINC001574224266 1026731295 /nfs/dbraw/zinc/73/12/95/1026731295.db2.gz GZVKRUZQXXESDG-QMMMGPOBSA-N -1 0 308.294 -0.655 20 0 DBADRM Cn1cnnc1S(=O)(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-] ZINC001574220392 1026731557 /nfs/dbraw/zinc/73/15/57/1026731557.db2.gz BWKFMXWCSFKZIT-QMMMGPOBSA-N -1 0 320.371 -0.248 20 0 DBADRM Cn1cnc(S(=O)(=O)NC2(CC(=O)[O-])COC2)c1Cl ZINC001574221837 1026731983 /nfs/dbraw/zinc/73/19/83/1026731983.db2.gz ZLWCCIIZRAJPSY-UHFFFAOYSA-N -1 0 309.731 -0.405 20 0 DBADRM Cn1ncc2c1nc(CN1C[C@H](C(=O)[O-])C3(COC3)C1)[nH]c2=O ZINC001574228538 1026732553 /nfs/dbraw/zinc/73/25/53/1026732553.db2.gz LEPPKVUEKAAXRE-SECBINFHSA-N -1 0 319.321 -0.398 20 0 DBADRM Cn1nccc1C1(O)CCN(S(=O)(=O)CCC(=O)[O-])CC1 ZINC001574228758 1026732685 /nfs/dbraw/zinc/73/26/85/1026732685.db2.gz OWSYUVNEGOJFHV-UHFFFAOYSA-N -1 0 317.367 -0.492 20 0 DBADRM Cn1nccc1[C@H](O)CNS(=O)(=O)C1(CC(=O)[O-])CC1 ZINC001574227804 1026732773 /nfs/dbraw/zinc/73/27/73/1026732773.db2.gz APALVFLXIUWAJZ-SECBINFHSA-N -1 0 303.340 -0.620 20 0 DBADRM CC(C)COC1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001574229359 1026732974 /nfs/dbraw/zinc/73/29/74/1026732974.db2.gz VHEPZINVPGLHAV-UHFFFAOYSA-N -1 0 306.330 -0.658 20 0 DBADRM Cn1ncc2cc(C(=O)N[C@H]3CN(C(=O)[O-])C[C@@H]3CO)cnc21 ZINC001574228181 1026733198 /nfs/dbraw/zinc/73/31/98/1026733198.db2.gz HAHAWQIHRUCPCT-MNOVXSKESA-N -1 0 319.321 -0.331 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)CN[C@H]1C(=O)NCC1(C)C ZINC001574226320 1026733534 /nfs/dbraw/zinc/73/35/34/1026733534.db2.gz DASPTYMZHOXQTM-VIFPVBQESA-N -1 0 309.326 -0.829 20 0 DBADRM Cn1nc(C(F)(F)F)cc1C(=O)N(CC(N)=O)CC(=O)[O-] ZINC001574227033 1026734041 /nfs/dbraw/zinc/73/40/41/1026734041.db2.gz XODSYYNTQGWJOX-UHFFFAOYSA-N -1 0 308.216 -0.549 20 0 DBADRM Cn1ncc(CCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccncc2)n1 ZINC001574226474 1026734086 /nfs/dbraw/zinc/73/40/86/1026734086.db2.gz HMZRVIDFSKAKKF-CHWSQXEVSA-N -1 0 319.321 -0.554 20 0 DBADRM NC(=O)C1(O)CN(c2ccc(Br)c(C(=O)[O-])n2)C1 ZINC001574247325 1026735455 /nfs/dbraw/zinc/73/54/55/1026735455.db2.gz BXWXYSBZLYMEBS-UHFFFAOYSA-N -1 0 316.111 -0.421 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001574242980 1026735482 /nfs/dbraw/zinc/73/54/82/1026735482.db2.gz RGTUSIIHOOYCLU-NXEZZACHSA-N -1 0 307.368 -0.601 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(C(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC001574247913 1026736042 /nfs/dbraw/zinc/73/60/42/1026736042.db2.gz IGCGTJBOQXTDMV-SNVBAGLBSA-N -1 0 316.379 -0.195 20 0 DBADRM NC(=O)[C@@H]1CN(Cc2cnc3c(C(=O)[O-])cnn3c2)CCO1 ZINC001574248452 1026737560 /nfs/dbraw/zinc/73/75/60/1026737560.db2.gz JQHSVHJYJDKKCS-JTQLQIEISA-N -1 0 305.294 -0.886 20 0 DBADRM NC(=O)CN1CCN(Cc2cnc3c(C(=O)[O-])cnn3c2)CC1 ZINC001574254795 1026738641 /nfs/dbraw/zinc/73/86/41/1026738641.db2.gz HSVWTCOSJKLAAV-UHFFFAOYSA-N -1 0 318.337 -0.970 20 0 DBADRM NC(=O)CNC(=O)c1cccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC001574255274 1026738755 /nfs/dbraw/zinc/73/87/55/1026738755.db2.gz WDYYERMOIQOCCL-WDEREUQCSA-N -1 0 319.317 -0.049 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)c1oc2ccccc2c1CO ZINC001574255209 1026738772 /nfs/dbraw/zinc/73/87/72/1026738772.db2.gz SXAOTJAWTSHJJE-UHFFFAOYSA-N -1 0 306.274 -0.063 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)c1cccc(Cn2ccnc2)c1 ZINC001574254838 1026739501 /nfs/dbraw/zinc/73/95/01/1026739501.db2.gz JAWVNHRZYQLNNC-UHFFFAOYSA-N -1 0 316.317 -0.057 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)CC2(C(=O)[O-])CCOCC2)CC1 ZINC001574250061 1026740067 /nfs/dbraw/zinc/74/00/67/1026740067.db2.gz WGGHXSANGDCXLB-UHFFFAOYSA-N -1 0 314.338 -0.903 20 0 DBADRM NC(=O)COc1ccc(C(=O)NC2(CC(=O)[O-])COC2)cc1 ZINC001574254558 1026740269 /nfs/dbraw/zinc/74/02/69/1026740269.db2.gz BTPNXNIQVGUERX-UHFFFAOYSA-N -1 0 308.290 -0.476 20 0 DBADRM NC(=O)c1ccc(CC(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])cn1 ZINC001574259218 1026742054 /nfs/dbraw/zinc/74/20/54/1026742054.db2.gz IPDYZWWPEFOGHG-ZYHUDNBSSA-N -1 0 321.333 -0.139 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)N[C@H](CO)CC(=O)[O-])cc1 ZINC001574258906 1026742069 /nfs/dbraw/zinc/74/20/69/1026742069.db2.gz BLCYISHAYGGYPK-JTQLQIEISA-N -1 0 310.306 -0.494 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CC([C@H](F)C(=O)[O-])C2)O1 ZINC001574256231 1026742580 /nfs/dbraw/zinc/74/25/80/1026742580.db2.gz AUNPOAXKBPAHEX-YWVKMMECSA-N -1 0 302.302 -0.319 20 0 DBADRM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)[C@H](O)CC(=O)[O-])C1 ZINC001574259647 1026742818 /nfs/dbraw/zinc/74/28/18/1026742818.db2.gz RTLPBIHYEVMECB-BXKDBHETSA-N -1 0 321.333 -0.684 20 0 DBADRM NC(=O)c1cc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2)on1 ZINC001574259251 1026743106 /nfs/dbraw/zinc/74/31/06/1026743106.db2.gz KCAXDMOXULSKJF-QMMMGPOBSA-N -1 0 310.310 -0.814 20 0 DBADRM NC(=O)Cc1occc1C(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC001574257275 1026743376 /nfs/dbraw/zinc/74/33/76/1026743376.db2.gz VGVFQPMGSSEMKO-CQSZACIVSA-N -1 0 310.306 -0.081 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC001574256302 1026743469 /nfs/dbraw/zinc/74/34/69/1026743469.db2.gz BVWABKFWHCXQRW-MNOVXSKESA-N -1 0 306.322 -0.134 20 0 DBADRM NS(=O)(=O)c1sccc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001574280363 1026747045 /nfs/dbraw/zinc/74/70/45/1026747045.db2.gz LXOGEMYEEZGZFQ-LURJTMIESA-N -1 0 304.349 -0.058 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)C1 ZINC001574281110 1026747323 /nfs/dbraw/zinc/74/73/23/1026747323.db2.gz WVCCUEITPIJKSU-IUCAKERBSA-N -1 0 320.371 -0.941 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@@H](CC(=O)[O-])C(F)(F)F ZINC001574281197 1026747530 /nfs/dbraw/zinc/74/75/30/1026747530.db2.gz YPOLHYRLUHGPSO-YFKPBYRVSA-N -1 0 306.262 -0.423 20 0 DBADRM NS(=O)(=O)CCCC(=O)NCc1nc(CC(=O)[O-])cs1 ZINC001574281037 1026748685 /nfs/dbraw/zinc/74/86/85/1026748685.db2.gz UPDHARKTFXHZAC-UHFFFAOYSA-N -1 0 321.380 -0.545 20 0 DBADRM C[C@]12CN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C[C@H]1CS(=O)(=O)C2 ZINC001574291661 1026749775 /nfs/dbraw/zinc/74/97/75/1026749775.db2.gz ZSLLGYQXOJQAFQ-QISWUMQESA-N -1 0 316.379 -0.074 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)C[C@@H]2C=CS(=O)(=O)C2)[C@@H](CO)C1 ZINC001574293075 1026750755 /nfs/dbraw/zinc/75/07/55/1026750755.db2.gz SPHOWCKORDPFKS-AEJSXWLSSA-N -1 0 318.351 -0.978 20 0 DBADRM Nc1ncc2c(n1)CN(C(=O)[C@H]1CSCN1C(=O)[O-])CC2 ZINC001574291388 1026750988 /nfs/dbraw/zinc/75/09/88/1026750988.db2.gz GUXGMXXOGJCGOX-SECBINFHSA-N -1 0 309.351 -0.004 20 0 DBADRM Nc1ncn(CC(=O)N(CCC(=O)[O-])Cc2cccnc2)n1 ZINC001574292247 1026751005 /nfs/dbraw/zinc/75/10/05/1026751005.db2.gz XZXGLJKFVBAQKX-UHFFFAOYSA-N -1 0 304.310 -0.241 20 0 DBADRM Nc1nnn(CC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)n1 ZINC001574292288 1026751290 /nfs/dbraw/zinc/75/12/90/1026751290.db2.gz ZDSICGJYNGIBMX-ZDUSSCGKSA-N -1 0 302.294 -0.702 20 0 DBADRM Nc1nnc(CC(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])s1 ZINC001574291361 1026751723 /nfs/dbraw/zinc/75/17/23/1026751723.db2.gz GHTYHNWUXHQKQD-RQJHMYQMSA-N -1 0 300.340 -0.199 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CC1CS(=O)(=O)C1 ZINC001574293354 1026752727 /nfs/dbraw/zinc/75/27/27/1026752727.db2.gz FPZSPILKJJISTO-LLVKDONJSA-N -1 0 312.347 -0.372 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCCC1=O)[C@@H](O)c1ccncc1 ZINC001574299533 1026752748 /nfs/dbraw/zinc/75/27/48/1026752748.db2.gz NCJFEEOWBVIHMH-OLZOCXBDSA-N -1 0 307.306 -0.693 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCCn1cncn1)[C@@H](O)c1ccncc1 ZINC001574294002 1026752844 /nfs/dbraw/zinc/75/28/44/1026752844.db2.gz SRAZVLHZCDTEHM-STQMWFEESA-N -1 0 319.321 -0.244 20 0 DBADRM O=C([O-])c1cc(CNC(=O)CN2CCCCS2(=O)=O)on1 ZINC001574299380 1026753239 /nfs/dbraw/zinc/75/32/39/1026753239.db2.gz FLMSXXNSGDJBDB-UHFFFAOYSA-N -1 0 317.323 -0.585 20 0 DBADRM O=C(CC1(C(=O)[O-])CCC1)NCc1nnc2c(=O)[nH]ccn12 ZINC001574293144 1026753255 /nfs/dbraw/zinc/75/32/55/1026753255.db2.gz VSGCADFMNAPZDU-UHFFFAOYSA-N -1 0 305.294 -0.321 20 0 DBADRM O=C([O-])[C@H](NC(=O)CC1OCCCO1)[C@@H](O)c1cccnc1 ZINC001574294026 1026753402 /nfs/dbraw/zinc/75/34/02/1026753402.db2.gz UFBZESANGNXQKQ-OLZOCXBDSA-N -1 0 310.306 -0.163 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCCn1cncn1)[C@H](O)c1ccncc1 ZINC001574293999 1026753578 /nfs/dbraw/zinc/75/35/78/1026753578.db2.gz SRAZVLHZCDTEHM-CHWSQXEVSA-N -1 0 319.321 -0.244 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCCn1cncn1)[C@@H](O)c1ccncc1 ZINC001574294000 1026753625 /nfs/dbraw/zinc/75/36/25/1026753625.db2.gz SRAZVLHZCDTEHM-OLZOCXBDSA-N -1 0 319.321 -0.244 20 0 DBADRM O=C([O-])C1CCC(NC(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001574302370 1026754460 /nfs/dbraw/zinc/75/44/60/1026754460.db2.gz VIPMNMBRGYZGGU-UHFFFAOYSA-N -1 0 319.321 -0.349 20 0 DBADRM O=C([O-])[C@H](NC(=O)CO[C@@H]1CCOC1)[C@H](O)c1cccnc1 ZINC001574300486 1026754783 /nfs/dbraw/zinc/75/47/83/1026754783.db2.gz MSCROANVVXSTPN-RAIGVLPGSA-N -1 0 310.306 -0.510 20 0 DBADRM O=C([O-])[C@H](NC(=O)Cn1ccccc1=O)[C@H](O)c1ccncc1 ZINC001574302636 1026755535 /nfs/dbraw/zinc/75/55/35/1026755535.db2.gz YZERDPMYGIZIIJ-ZIAGYGMSSA-N -1 0 317.301 -0.454 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)Cc2nc3ncccn3n2)CCCOC1 ZINC001574301849 1026755788 /nfs/dbraw/zinc/75/57/88/1026755788.db2.gz JYLZOYBLCCTDHR-AWEZNQCLSA-N -1 0 319.321 -0.336 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)CNC(=O)N1CCCC1 ZINC001574300850 1026755846 /nfs/dbraw/zinc/75/58/46/1026755846.db2.gz YNKOBAHZSQCHKE-LBPRGKRZSA-N -1 0 320.349 -0.001 20 0 DBADRM O=C([O-])c1nc[nH]c1CNC(=O)CNC(=O)NCc1ccco1 ZINC001574300699 1026755888 /nfs/dbraw/zinc/75/58/88/1026755888.db2.gz VRLFVQNBOQQDDU-UHFFFAOYSA-N -1 0 321.293 -0.184 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)N[C@H](CO)CC1OCCO1 ZINC001574309979 1026756973 /nfs/dbraw/zinc/75/69/73/1026756973.db2.gz KKTOTYRJMRQNKC-YUMQZZPRSA-N -1 0 306.340 -0.721 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001574311127 1026757176 /nfs/dbraw/zinc/75/71/76/1026757176.db2.gz BLQYSQUYCVDUAD-RKDXNWHRSA-N -1 0 310.310 -0.886 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2cccc3[nH]c(=O)[nH]c32)[C@@H](CO)C1 ZINC001574311141 1026757304 /nfs/dbraw/zinc/75/73/04/1026757304.db2.gz CMULPQVUZPZHNU-XCBNKYQSSA-N -1 0 320.305 -0.031 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2cnc3c[nH]nc3c2)C1 ZINC001574311752 1026758859 /nfs/dbraw/zinc/75/88/59/1026758859.db2.gz PHPNHQORQXLSGZ-LDYMZIIASA-N -1 0 305.294 -0.342 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2ccc3nncn3c2)[C@@H](CO)C1 ZINC001574311330 1026759077 /nfs/dbraw/zinc/75/90/77/1026759077.db2.gz GXUNVOPZBODFRK-ZJUUUORDSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2cnn3cccnc23)C1 ZINC001574311719 1026759171 /nfs/dbraw/zinc/75/91/71/1026759171.db2.gz NVSHDUMJGJBTQD-WPRPVWTQSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001574314435 1026759264 /nfs/dbraw/zinc/75/92/64/1026759264.db2.gz YVJIFTUPEAVVJB-KXUCPTDWSA-N -1 0 306.322 -0.012 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001574311908 1026759288 /nfs/dbraw/zinc/75/92/88/1026759288.db2.gz QJJGDZPIVRHJMD-MKPLZMMCSA-N -1 0 308.338 -0.399 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001574311266 1026759312 /nfs/dbraw/zinc/75/93/12/1026759312.db2.gz FZHDKZPSNQTXNZ-CABZTGNLSA-N -1 0 321.333 -0.024 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2ncc(Cl)cn2)C1 ZINC001574311769 1026759354 /nfs/dbraw/zinc/75/93/54/1026759354.db2.gz PMDOLHIVEGRWAN-POYBYMJQSA-N -1 0 300.702 -0.170 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001574311515 1026759544 /nfs/dbraw/zinc/75/95/44/1026759544.db2.gz JJMURVVSWAYZAJ-SUZMYJTESA-N -1 0 320.349 -0.332 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2c[nH]cc(Cl)c2=O)C1 ZINC001574311708 1026759615 /nfs/dbraw/zinc/75/96/15/1026759615.db2.gz NLCNHILKESCHEE-IMTBSYHQSA-N -1 0 315.713 -0.271 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2cc3n(n2)CCCO3)C1 ZINC001574312204 1026759806 /nfs/dbraw/zinc/75/98/06/1026759806.db2.gz XOJGKMQUFSRQES-PSASIEDQSA-N -1 0 310.310 -0.634 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)NCC[C@@H]2CCOC2)[C@@H](CO)C1 ZINC001574319182 1026760513 /nfs/dbraw/zinc/76/05/13/1026760513.db2.gz HLWMCUYHYXGMOB-MXWKQRLJSA-N -1 0 301.343 -0.317 20 0 DBADRM O=C([O-])c1csc(CCNC(=O)C2=CCS(=O)(=O)C2)n1 ZINC001574323560 1026761144 /nfs/dbraw/zinc/76/11/44/1026761144.db2.gz FXYIYBJLNFGJIX-UHFFFAOYSA-N -1 0 316.360 -0.145 20 0 DBADRM O=C([O-])[C@H](F)C1CN(C(=O)CNC(=O)c2ncccc2O)C1 ZINC001574322602 1026761551 /nfs/dbraw/zinc/76/15/51/1026761551.db2.gz RUHQAEKNNSRVOJ-SNVBAGLBSA-N -1 0 311.269 -0.602 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CNC(=O)c3ncccc3O)C[C@@H]21 ZINC001574321913 1026761663 /nfs/dbraw/zinc/76/16/63/1026761663.db2.gz IEYHTJPHJYRFLW-VDDIYKPWSA-N -1 0 319.317 -0.304 20 0 DBADRM CC(C)OCC(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574316446 1026762179 /nfs/dbraw/zinc/76/21/79/1026762179.db2.gz BGRLEJJHRHNKAU-VIFPVBQESA-N -1 0 320.357 -0.580 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)NCC2CCOCC2)C1 ZINC001574319203 1026762297 /nfs/dbraw/zinc/76/22/97/1026762297.db2.gz HSKSMHZSQIXTBW-GHMZBOCLSA-N -1 0 301.343 -0.317 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)Nc1ccc(=O)n(CCO)c1 ZINC001574339291 1026762791 /nfs/dbraw/zinc/76/27/91/1026762791.db2.gz PIAMIMBUUWPGSN-SECBINFHSA-N -1 0 313.335 -0.168 20 0 DBADRM O=C([O-])[C@H](F)[C@H]1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)C1 ZINC001574344972 1026764326 /nfs/dbraw/zinc/76/43/26/1026764326.db2.gz IQDUABOAYMCEEZ-JMJZKYOTSA-N -1 0 315.301 -0.879 20 0 DBADRM O=C([O-])[C@H](F)[C@H]1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)C1 ZINC001574344971 1026764719 /nfs/dbraw/zinc/76/47/19/1026764719.db2.gz IQDUABOAYMCEEZ-INTQDDNPSA-N -1 0 315.301 -0.879 20 0 DBADRM O=C([O-])c1cc(CNC(=O)NC[C@@H](CO)[C@@H]2CCOC2)on1 ZINC001574326677 1026764884 /nfs/dbraw/zinc/76/48/84/1026764884.db2.gz CLLCQMVHBZYQDE-BDAKNGLRSA-N -1 0 313.310 -0.183 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NCc1nc(O)cc(=O)[nH]1 ZINC001574331316 1026765024 /nfs/dbraw/zinc/76/50/24/1026765024.db2.gz ZLYKQWXVVMQRJM-YFKPBYRVSA-N -1 0 300.296 -0.443 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)Cc1ccno1)[C@H]1CCCOC1 ZINC001574354171 1026765911 /nfs/dbraw/zinc/76/59/11/1026765911.db2.gz YWOTUUJYWBKQBC-WCBMZHEXSA-N -1 0 304.324 -0.026 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)CCO1 ZINC001574355683 1026765971 /nfs/dbraw/zinc/76/59/71/1026765971.db2.gz HMXHNHOIMHGUII-CROINBHNSA-N -1 0 311.290 -0.981 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Cn2nnc3ccccc32)CC12COC2 ZINC001574355668 1026766601 /nfs/dbraw/zinc/76/66/01/1026766601.db2.gz HBLBHMQOLDIAKD-SNVBAGLBSA-N -1 0 316.317 -0.009 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cc3c(=O)[nH]cnc3cn2)CCO1 ZINC001574355397 1026766820 /nfs/dbraw/zinc/76/68/20/1026766820.db2.gz BKINVDLIAXBYSB-SNVBAGLBSA-N -1 0 304.262 -0.344 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21)[C@H](O)c1ccncc1 ZINC001574352762 1026767328 /nfs/dbraw/zinc/76/73/28/1026767328.db2.gz HZECFQZHOOFHJD-JOLIMNQDSA-N -1 0 304.302 -0.091 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)CC1C(=O)N=CNC1=O)C(F)(F)F ZINC001574357642 1026768384 /nfs/dbraw/zinc/76/83/84/1026768384.db2.gz QRVQYNXZQXMIGW-RXMQYKEDSA-N -1 0 309.200 -0.048 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C2=C3CCCN=C3NN2)CC12COC2 ZINC001574356112 1026768598 /nfs/dbraw/zinc/76/85/98/1026768598.db2.gz YULVUYKLHHXKIF-VIFPVBQESA-N -1 0 306.322 -0.900 20 0 DBADRM O=C([O-])C[C@H](C(F)(F)F)S(=O)(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001574356486 1026769119 /nfs/dbraw/zinc/76/91/19/1026769119.db2.gz HPIZOIXKMKPEQN-DSYKOEDSSA-N -1 0 321.273 -0.851 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NCC1(n2cccn2)CC1 ZINC001574355973 1026769859 /nfs/dbraw/zinc/76/98/59/1026769859.db2.gz UZNSJQGRZZIXOP-SNVBAGLBSA-N -1 0 314.367 -0.244 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)NCc1nc(COc2ccccc2)n[nH]1 ZINC001574363090 1026770282 /nfs/dbraw/zinc/77/02/82/1026770282.db2.gz NUXLTKXIDBVBBH-JTQLQIEISA-N -1 0 320.305 -0.165 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)NCCn1cc(-c2ccccc2)nn1 ZINC001574363374 1026770653 /nfs/dbraw/zinc/77/06/53/1026770653.db2.gz PIVHQCDGADJMOG-GFCCVEGCSA-N -1 0 304.306 -0.103 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001574361757 1026770795 /nfs/dbraw/zinc/77/07/95/1026770795.db2.gz IOMUODNSPAKJPQ-ZYHUDNBSSA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC001574364462 1026770879 /nfs/dbraw/zinc/77/08/79/1026770879.db2.gz YIYMJEJDUQRECW-ZJUUUORDSA-N -1 0 308.338 -0.234 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001574362185 1026771196 /nfs/dbraw/zinc/77/11/96/1026771196.db2.gz KNOSLVBRHZSQIT-NKWVEPMBSA-N -1 0 312.244 -0.651 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC001574361349 1026771265 /nfs/dbraw/zinc/77/12/65/1026771265.db2.gz GUHGAWNEVVIONI-UWVGGRQHSA-N -1 0 305.352 -0.752 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC001574364995 1026771332 /nfs/dbraw/zinc/77/13/32/1026771332.db2.gz LHTXKUAZUNQCCM-ZCFIWIBFSA-N -1 0 320.348 -0.612 20 0 DBADRM O=C([O-])C[C@H](O)CN1C(=O)N2CCCC[C@@H]2CS1(=O)=O ZINC001574364683 1026771461 /nfs/dbraw/zinc/77/14/61/1026771461.db2.gz HKWYSOLBEIWSKQ-BDAKNGLRSA-N -1 0 306.340 -0.558 20 0 DBADRM O=C([O-])C[C@@H](O)CN1C(=O)N2CCCC[C@H]2CS1(=O)=O ZINC001574364684 1026771658 /nfs/dbraw/zinc/77/16/58/1026771658.db2.gz HKWYSOLBEIWSKQ-DTWKUNHWSA-N -1 0 306.340 -0.558 20 0 DBADRM O=C([O-])CCS(=O)(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001574368613 1026772182 /nfs/dbraw/zinc/77/21/82/1026772182.db2.gz XYBNFMKZBFAOQF-UHFFFAOYSA-N -1 0 317.323 -0.851 20 0 DBADRM O=C([O-])CN(CCc1ccccc1)C(=O)CCNC(=O)CO ZINC001574367776 1026772541 /nfs/dbraw/zinc/77/25/41/1026772541.db2.gz CVKPQNFGNOODIN-UHFFFAOYSA-N -1 0 308.334 -0.359 20 0 DBADRM O=C([O-])CC1(NC(=O)Cn2ncc(=O)c3ccccc32)COC1 ZINC001574365186 1026773429 /nfs/dbraw/zinc/77/34/29/1026773429.db2.gz PQKOLLQCRJOTNJ-UHFFFAOYSA-N -1 0 317.301 -0.244 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001574372395 1026773719 /nfs/dbraw/zinc/77/37/19/1026773719.db2.gz PPNQHCBKTRUTES-QJPTWQEYSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])CCS(=O)(=O)NCc1cn(C2CC2)c(=O)[nH]c1=O ZINC001574367992 1026773903 /nfs/dbraw/zinc/77/39/03/1026773903.db2.gz HSOWFUPZKYDMTC-UHFFFAOYSA-N -1 0 317.323 -0.822 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1COCCN1C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001574372413 1026773951 /nfs/dbraw/zinc/77/39/51/1026773951.db2.gz QPFWDSPLGUCFRH-SRVKXCTJSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])CCS(=O)(=O)N1CCC([C@H]2COC(=O)N2)CC1 ZINC001574368539 1026774160 /nfs/dbraw/zinc/77/41/60/1026774160.db2.gz TYJMEOLXERTQCA-SECBINFHSA-N -1 0 306.340 -0.389 20 0 DBADRM O=C([O-])Cc1nnc(NC(=O)N2CC[C@H](O)[C@@H](CO)C2)s1 ZINC001574375154 1026775277 /nfs/dbraw/zinc/77/52/77/1026775277.db2.gz HEDQJWNGFRXDEV-RQJHMYQMSA-N -1 0 316.339 -0.628 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)n1 ZINC001574375110 1026776015 /nfs/dbraw/zinc/77/60/15/1026776015.db2.gz FGXSZTOKVMKSRY-ZETCQYMHSA-N -1 0 302.312 -0.874 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)N2CCS(=O)(=O)CCO2)C1 ZINC001574377672 1026776255 /nfs/dbraw/zinc/77/62/55/1026776255.db2.gz XNXIWIVSXZYBNU-MRVPVSSYSA-N -1 0 307.328 -0.890 20 0 DBADRM O=C([O-])NCCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1 ZINC001574380659 1026778117 /nfs/dbraw/zinc/77/81/17/1026778117.db2.gz CEAWXMAWYNCNAX-NSHDSACASA-N -1 0 310.306 -0.135 20 0 DBADRM O=C([O-])c1cc(NC(=O)c2cn(C(F)(F)CO)nn2)[nH]n1 ZINC001574412649 1026780165 /nfs/dbraw/zinc/78/01/65/1026780165.db2.gz KAADVNIUTKXTJE-UHFFFAOYSA-N -1 0 302.197 -0.507 20 0 DBADRM O=C([O-])c1cc(C(=O)NCC2CCS(=O)(=O)CC2)on1 ZINC001574408714 1026780356 /nfs/dbraw/zinc/78/03/56/1026780356.db2.gz OANWHDFUBPTEAR-UHFFFAOYSA-N -1 0 302.308 -0.073 20 0 DBADRM O=C([O-])c1cc(CNC(=O)N2CCC(CO)(CO)CC2)on1 ZINC001574409214 1026780639 /nfs/dbraw/zinc/78/06/39/1026780639.db2.gz VLRIGGSLUPUYME-UHFFFAOYSA-N -1 0 313.310 -0.351 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC(CO)(CO)C2)ccc1F ZINC001574412844 1026780731 /nfs/dbraw/zinc/78/07/31/1026780731.db2.gz QIGYLXFAHIFEKD-UHFFFAOYSA-N -1 0 319.310 -0.501 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)N[C@H]3CCCS(=O)(=O)C3)C[C@@H]21 ZINC001574403127 1026780859 /nfs/dbraw/zinc/78/08/59/1026780859.db2.gz JIUCNIZGZQIHBD-ZRUFSTJUSA-N -1 0 316.379 -0.074 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@@H]2CCc3nncn3CC2)cn1 ZINC001574414573 1026780944 /nfs/dbraw/zinc/78/09/44/1026780944.db2.gz FROOEVVQBOZVBI-SNVBAGLBSA-N -1 0 318.337 -0.058 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCCn2ccc(=O)[nH]c2=O)nc1 ZINC001574413120 1026781125 /nfs/dbraw/zinc/78/11/25/1026781125.db2.gz XBGJZTCKTOMAFC-UHFFFAOYSA-N -1 0 304.262 -0.528 20 0 DBADRM O=C([O-])c1c[nH]nc1[C@H]1CCN(C(=O)CN2CCOC2=O)C1 ZINC001574415298 1026781211 /nfs/dbraw/zinc/78/12/11/1026781211.db2.gz NSIODZHEGNBBGC-QMMMGPOBSA-N -1 0 308.294 -0.124 20 0 DBADRM O=C([O-])c1c[nH]c(NC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)n1 ZINC001574417238 1026782199 /nfs/dbraw/zinc/78/21/99/1026782199.db2.gz GHTLRVKPHMSUDT-CBAPKCEASA-N -1 0 318.293 -0.524 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2C[C@H](CO)[C@H](O)C2)c(Cl)c1 ZINC001574417570 1026783278 /nfs/dbraw/zinc/78/32/78/1026783278.db2.gz MVZWGKWYOILHPH-VXNVDRBHSA-N -1 0 300.698 -0.142 20 0 DBADRM Cc1n[nH]c(=O)c(C(=O)NCCOCCOCC(=O)[O-])c1C ZINC001574416075 1026783406 /nfs/dbraw/zinc/78/34/06/1026783406.db2.gz QEFKBXMECVKMQA-UHFFFAOYSA-N -1 0 313.310 -0.353 20 0 DBADRM O=C([O-])c1c[nH]nc1[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001574428294 1026784725 /nfs/dbraw/zinc/78/47/25/1026784725.db2.gz HHXFEGYTXRDOMS-RKDXNWHRSA-N -1 0 306.322 -0.050 20 0 DBADRM Cc1ncncc1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574428800 1026784989 /nfs/dbraw/zinc/78/49/89/1026784989.db2.gz IYJFIRFBYQUYKC-NSHDSACASA-N -1 0 306.322 -0.019 20 0 DBADRM O=C([O-])c1cc(CS(=O)(=O)NCC[C@@H]2CNC(=O)C2)on1 ZINC001574429955 1026785248 /nfs/dbraw/zinc/78/52/48/1026785248.db2.gz BECFUPSGMIAAOJ-ZETCQYMHSA-N -1 0 317.323 -0.682 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@@H]1CCCN1C(=O)C1CS(=O)(=O)C1 ZINC001574423432 1026785450 /nfs/dbraw/zinc/78/54/50/1026785450.db2.gz QCJQVFYEGLPKOB-ZETCQYMHSA-N -1 0 314.323 -0.789 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@@H]1CCCN1C(=O)C[C@@H]1CCC(=O)N1 ZINC001574430737 1026785792 /nfs/dbraw/zinc/78/57/92/1026785792.db2.gz MKZBBNADFNCSRD-YUMQZZPRSA-N -1 0 307.310 -0.165 20 0 DBADRM O=C([O-])c1noc(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)n1 ZINC001574430209 1026786265 /nfs/dbraw/zinc/78/62/65/1026786265.db2.gz YLYPCDLNRVAXMF-SFYZADRCSA-N -1 0 301.324 -0.366 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001574430938 1026786936 /nfs/dbraw/zinc/78/69/36/1026786936.db2.gz POJWRWXURZVNCE-MRVPVSSYSA-N -1 0 314.681 -0.154 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2nnc3n2CCNC3=O)C1 ZINC001574435955 1026786973 /nfs/dbraw/zinc/78/69/73/1026786973.db2.gz YMBMQNGFDJNYBK-JGVFFNPUSA-N -1 0 307.310 -0.861 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCC[C@H]2CNC(=O)C2)C1 ZINC001574431486 1026787315 /nfs/dbraw/zinc/78/73/15/1026787315.db2.gz YNNPIYBCJNRDJC-NXEZZACHSA-N -1 0 319.383 -0.856 20 0 DBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCC[C@H]2CNC(=O)C2)C1 ZINC001574431489 1026788666 /nfs/dbraw/zinc/78/86/66/1026788666.db2.gz YNNPIYBCJNRDJC-ZJUUUORDSA-N -1 0 319.383 -0.856 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)[nH]c1=O ZINC001574450410 1026789258 /nfs/dbraw/zinc/78/92/58/1026789258.db2.gz ZIPICRRUBBDCJL-QMMMGPOBSA-N -1 0 310.310 -0.679 20 0 DBADRM CC1(C)CNC(=O)c2c(C(=O)NC[C@H](O)C(=O)[O-])coc2C1 ZINC001574452068 1026789323 /nfs/dbraw/zinc/78/93/23/1026789323.db2.gz UPOXMIIUVZTFCU-QMMMGPOBSA-N -1 0 310.306 -0.233 20 0 DBADRM Cc1nonc1NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001574444169 1026789928 /nfs/dbraw/zinc/78/99/28/1026789928.db2.gz WFCUAECKVVUWOL-UHFFFAOYSA-N -1 0 303.296 -0.404 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)c3cc(C(=O)[O-])n[nH]3)CCN2)cn1 ZINC001574457841 1026791809 /nfs/dbraw/zinc/79/18/09/1026791809.db2.gz KKPNEPDTKQSNMZ-NSHDSACASA-N -1 0 304.310 -0.372 20 0 DBADRM NC(=O)COC1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001574500186 1026792956 /nfs/dbraw/zinc/79/29/56/1026792956.db2.gz JANIYFGHZBPWEZ-UHFFFAOYSA-N -1 0 308.294 -0.719 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC001574507548 1026792984 /nfs/dbraw/zinc/79/29/84/1026792984.db2.gz NQDDLHPVONYGGK-VIFPVBQESA-N -1 0 319.383 -0.439 20 0 DBADRM NS(=O)(=O)C[C@H]1CC[C@@H](NC(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC001574507580 1026793192 /nfs/dbraw/zinc/79/31/92/1026793192.db2.gz OWKVDBIWBHIHQL-FXBDTBDDSA-N -1 0 304.368 -0.329 20 0 DBADRM NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001574499357 1026793358 /nfs/dbraw/zinc/79/33/58/1026793358.db2.gz IPTWLDLOORAXRS-RYUDHWBXSA-N -1 0 317.301 -0.345 20 0 DBADRM NS(=O)(=O)N1CCC(NC(=O)C2(CC(=O)[O-])CCC2)CC1 ZINC001574507048 1026793507 /nfs/dbraw/zinc/79/35/07/1026793507.db2.gz JHHZMBIDNZKYAF-UHFFFAOYSA-N -1 0 319.383 -0.585 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)N[C@H]1CCNC1=O)O2 ZINC001574564410 1026794307 /nfs/dbraw/zinc/79/43/07/1026794307.db2.gz HPWXINCKNLKIIS-USQDWFKJSA-N -1 0 311.338 -0.414 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001574565385 1026794480 /nfs/dbraw/zinc/79/44/80/1026794480.db2.gz KHRMHPBXMSMQEZ-QMMMGPOBSA-N -1 0 315.351 -0.133 20 0 DBADRM O=C(Cn1nnnc1-c1ccccc1)N[C@]1(C(=O)[O-])CCOC1 ZINC001574539721 1026794673 /nfs/dbraw/zinc/79/46/73/1026794673.db2.gz SZUJTEZHXBCNFQ-CQSZACIVSA-N -1 0 317.305 -0.300 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)[nH]n1 ZINC001574567758 1026794990 /nfs/dbraw/zinc/79/49/90/1026794990.db2.gz NVXIBGITJHYQTK-ZETCQYMHSA-N -1 0 301.324 -0.338 20 0 DBADRM O=C(Cn1nnnc1-c1ccccc1)N[C@@]1(C(=O)[O-])CCOC1 ZINC001574539720 1026795433 /nfs/dbraw/zinc/79/54/33/1026795433.db2.gz SZUJTEZHXBCNFQ-AWEZNQCLSA-N -1 0 317.305 -0.300 20 0 DBADRM O=C(CCc1nc(-c2nc[nH]n2)no1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001574525850 1026795810 /nfs/dbraw/zinc/79/58/10/1026795810.db2.gz QUISTEXGWBLVLW-KNVOCYPGSA-N -1 0 306.282 -0.233 20 0 DBADRM O=C(CO[C@@H]1CCOC1)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001574531479 1026796245 /nfs/dbraw/zinc/79/62/45/1026796245.db2.gz LSVQZKMJGNKQNS-MRVPVSSYSA-N -1 0 311.294 -0.145 20 0 DBADRM O=C([O-])c1cc(NC(=O)C2=NN(CCO)C(=O)CC2)ccn1 ZINC001574608130 1026797530 /nfs/dbraw/zinc/79/75/30/1026797530.db2.gz GSFMQWIRFDKAOK-UHFFFAOYSA-N -1 0 306.278 -0.311 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)C1 ZINC001574589236 1026797789 /nfs/dbraw/zinc/79/77/89/1026797789.db2.gz YKNZDPWEBSKNRB-WRWGMCAJSA-N -1 0 320.349 -0.214 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ncoc2[C@@H]2CCCO2)CC1 ZINC001574616446 1026798710 /nfs/dbraw/zinc/79/87/10/1026798710.db2.gz OWUMZVVJBYRESU-VIFPVBQESA-N -1 0 323.305 -0.105 20 0 DBADRM O=C([O-])C1(C(=O)NCC2OCCCO2)CCS(=O)(=O)CC1 ZINC001574629580 1026798776 /nfs/dbraw/zinc/79/87/76/1026798776.db2.gz CPEIZHJADBOPAT-UHFFFAOYSA-N -1 0 321.351 -0.855 20 0 DBADRM O=C([O-])C1(C(=O)NCc2c[nH]c(=O)[nH]2)CCS(=O)(=O)CC1 ZINC001574633775 1026799431 /nfs/dbraw/zinc/79/94/31/1026799431.db2.gz VZBZJLGPSANVOD-UHFFFAOYSA-N -1 0 317.323 -0.989 20 0 DBADRM O=C([O-])C1(C(=O)NCC2(O)CCC2)CCS(=O)(=O)CC1 ZINC001574630744 1026800095 /nfs/dbraw/zinc/80/00/95/1026800095.db2.gz UGDATHLJOZZRNP-UHFFFAOYSA-N -1 0 305.352 -0.703 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC001574644404 1026800156 /nfs/dbraw/zinc/80/01/56/1026800156.db2.gz UUTSQRBWWGZVLE-NXEZZACHSA-N -1 0 324.314 -0.139 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)C1 ZINC001574644202 1026800180 /nfs/dbraw/zinc/80/01/80/1026800180.db2.gz POFUPYAZAPWDIM-WXHSDQCUSA-N -1 0 322.317 -0.183 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CN(C(=O)C2CCCCC2)C1)C(=O)[O-] ZINC001574662518 1026800218 /nfs/dbraw/zinc/80/02/18/1026800218.db2.gz RPOFYQWEPSEASY-CABZTGNLSA-N -1 0 312.366 -0.025 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCc2noc3c2COCC3)CCO1 ZINC001574657655 1026800276 /nfs/dbraw/zinc/80/02/76/1026800276.db2.gz CXMCVVPDYOWGRT-LLVKDONJSA-N -1 0 311.294 -0.258 20 0 DBADRM O=C([O-])CCCCC(=O)NCCc1nnc2c(=O)[nH]ccn12 ZINC001574699360 1026802477 /nfs/dbraw/zinc/80/24/77/1026802477.db2.gz HJPBNZSJWHWVCU-UHFFFAOYSA-N -1 0 307.310 -0.279 20 0 DBADRM O=C([O-])CN(CC1CC1)C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001574710818 1026802640 /nfs/dbraw/zinc/80/26/40/1026802640.db2.gz CDHLNSFYCOYUJS-VIFPVBQESA-N -1 0 323.309 -0.677 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCc2cnc3n2CCC3)C1=O ZINC001574718763 1026803529 /nfs/dbraw/zinc/80/35/29/1026803529.db2.gz CWZFFHVUXSPITO-NSHDSACASA-N -1 0 320.349 -0.231 20 0 DBADRM CCOC(=O)c1cn(C)[n-]c1=NC(=O)NCCc1nc(N)no1 ZINC000345127983 412490735 /nfs/dbraw/zinc/49/07/35/412490735.db2.gz ISXRZXWIHHPUIY-UHFFFAOYSA-N -1 0 323.313 -0.652 20 0 DBADRM CCC(CC)(NC(=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1)C(N)=O ZINC000353216311 282126928 /nfs/dbraw/zinc/12/69/28/282126928.db2.gz FCFGJGLWTQJRNX-UHFFFAOYSA-N -1 0 310.358 -0.898 20 0 DBADRM COCc1nc(=NC(=O)c2cnc(COC)nc2N)s[n-]1 ZINC000355923545 412493492 /nfs/dbraw/zinc/49/34/92/412493492.db2.gz PQBVGUSNDVFBKA-UHFFFAOYSA-N -1 0 310.339 -0.123 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)c2nc(N)nc(N(C)C)n2)s[n-]1 ZINC000521636525 412505317 /nfs/dbraw/zinc/50/53/17/412505317.db2.gz MFUWVVJSVBUFER-YFKPBYRVSA-N -1 0 324.370 -0.247 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1c(C)onc1N)C(=O)[O-] ZINC000566311962 412519067 /nfs/dbraw/zinc/51/90/67/412519067.db2.gz JEXWPPOUPRRSIA-NKWVEPMBSA-N -1 0 307.328 -0.542 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000408481951 412528392 /nfs/dbraw/zinc/52/83/92/412528392.db2.gz ZEEKMDUTRAQNME-RNJXMRFFSA-N -1 0 301.324 -0.205 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@H](Cc1ccco1)C(=O)[O-] ZINC000569931739 412529684 /nfs/dbraw/zinc/52/96/84/412529684.db2.gz JZHIQJLONFNMIZ-MRVPVSSYSA-N -1 0 315.307 0.132 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000564926576 412530926 /nfs/dbraw/zinc/53/09/26/412530926.db2.gz NHDVLCLKZKATIX-HTQZYQBOSA-N -1 0 319.339 -0.277 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F ZINC000330876490 412531409 /nfs/dbraw/zinc/53/14/09/412531409.db2.gz FUCKCSYGUAMFRC-RXMQYKEDSA-N -1 0 303.262 0.157 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)NC[C@@H](OC)C(=O)[O-])c1 ZINC000263041474 290797570 /nfs/dbraw/zinc/79/75/70/290797570.db2.gz DPNGJBWXJMZIHK-SSDOTTSWSA-N -1 0 322.364 -0.514 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)NC[C@H](OC)C(=O)[O-])c1 ZINC000263041484 290797722 /nfs/dbraw/zinc/79/77/22/290797722.db2.gz DPNGJBWXJMZIHK-ZETCQYMHSA-N -1 0 322.364 -0.514 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)Cn1cnc2c(cnn2C)c1=O)C1CC1 ZINC000362468628 295796590 /nfs/dbraw/zinc/79/65/90/295796590.db2.gz VTUFZYDBQYZZPL-QMMMGPOBSA-N -1 0 319.321 -0.406 20 0 DBADRM CCCCN(C)S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000262376482 282753754 /nfs/dbraw/zinc/75/37/54/282753754.db2.gz GGUKDRLPXKBAMX-JTQLQIEISA-N -1 0 323.415 -0.126 20 0 DBADRM C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000036968591 295832650 /nfs/dbraw/zinc/83/26/50/295832650.db2.gz PLPKPFWOSQLQNH-ZETCQYMHSA-N -1 0 322.364 -0.525 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N(C)CCCC(=O)[O-])CC1 ZINC000036983878 290945530 /nfs/dbraw/zinc/94/55/30/290945530.db2.gz CUQOXCWXCJPPHR-UHFFFAOYSA-N -1 0 322.383 -0.087 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](CO)C(N)=O ZINC000341728473 138113198 /nfs/dbraw/zinc/11/31/98/138113198.db2.gz AADRFFNATWUMJK-SNVBAGLBSA-N -1 0 315.351 -0.976 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)Cc2cc(C)on2)CCOC1 ZINC000340934690 138102612 /nfs/dbraw/zinc/10/26/12/138102612.db2.gz WTBBSMOJUOUHPE-NSHDSACASA-N -1 0 304.324 -0.265 20 0 DBADRM Cc1[nH]nc([N-]S(=O)(=O)N2C[C@H](C)OC[C@H]2C)c1C(N)=O ZINC000340986643 138104048 /nfs/dbraw/zinc/10/40/48/138104048.db2.gz VGRABJYYJUOMGE-RQJHMYQMSA-N -1 0 317.371 -0.417 20 0 DBADRM C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)[O-] ZINC000354978847 138138664 /nfs/dbraw/zinc/13/86/64/138138664.db2.gz HWASFGXUUIQMIW-SECBINFHSA-N -1 0 300.336 -0.056 20 0 DBADRM CCCNC(=O)CCCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000355693111 138141033 /nfs/dbraw/zinc/14/10/33/138141033.db2.gz SXRWUWQJQXVTEZ-UHFFFAOYSA-N -1 0 317.371 -0.157 20 0 DBADRM CC(=O)NCCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000357841670 138146912 /nfs/dbraw/zinc/14/69/12/138146912.db2.gz QVDXNQLBHRIQJO-UHFFFAOYSA-N -1 0 305.294 -0.308 20 0 DBADRM CCCNC(=O)C[C@H](C(N)=O)N(CCC)Cc1n[nH]c(=O)[n-]1 ZINC000358038974 138148200 /nfs/dbraw/zinc/14/82/00/138148200.db2.gz ODLHOQXIZPSHON-SECBINFHSA-N -1 0 312.374 -0.508 20 0 DBADRM COC[C@@H](CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)OC ZINC000358238501 138149518 /nfs/dbraw/zinc/14/95/18/138149518.db2.gz HBTGHTJGRFGBKK-MRVPVSSYSA-N -1 0 308.294 -0.173 20 0 DBADRM CC(C)(O)CO[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000278671187 535313677 /nfs/dbraw/zinc/31/36/77/535313677.db2.gz PTHXLKATHBHAHF-GFCCVEGCSA-N -1 0 320.349 -0.075 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N(C)CCC(=O)OC)C1 ZINC000370430942 138157336 /nfs/dbraw/zinc/15/73/36/138157336.db2.gz PTINULAHELVHTP-GFCCVEGCSA-N -1 0 322.383 -0.087 20 0 DBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2CCOCC2)C1 ZINC000372316172 138166777 /nfs/dbraw/zinc/16/67/77/138166777.db2.gz PRAIRXGCEDJRJL-QWRGUYRKSA-N -1 0 307.368 -0.083 20 0 DBADRM O=Cc1ccc(OCC(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1 ZINC000371680195 138162958 /nfs/dbraw/zinc/16/29/58/138162958.db2.gz YNQKBRVBRLSXQN-LBPRGKRZSA-N -1 0 317.305 -0.009 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N1CCOC[C@H]1c1nc[nH]n1 ZINC000375191188 138180398 /nfs/dbraw/zinc/18/03/98/138180398.db2.gz FEVMZFCTNPWYEJ-LURJTMIESA-N -1 0 315.277 -0.425 20 0 DBADRM Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)[O-])no2)cn1 ZINC000375838487 138184247 /nfs/dbraw/zinc/18/42/47/138184247.db2.gz FWBVQKVUKJQLSN-QMMMGPOBSA-N -1 0 307.266 -0.545 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)[N-]OCC(N)=O)C1 ZINC000376802921 138189429 /nfs/dbraw/zinc/18/94/29/138189429.db2.gz CZNLDLNSGKCOCT-GFCCVEGCSA-N -1 0 305.306 -0.131 20 0 DBADRM C[N@H+](CC(=O)[O-])[C@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@H]1O ZINC000377167448 138191561 /nfs/dbraw/zinc/19/15/61/138191561.db2.gz ARFHGXKZPXRCEK-OUCADQQQSA-N -1 0 320.345 -0.422 20 0 DBADRM COc1cccc([C@H](O)C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1 ZINC000378319905 138198875 /nfs/dbraw/zinc/19/88/75/138198875.db2.gz WNRSUNIYOKDSOT-NEPJUHHUSA-N -1 0 319.321 -0.158 20 0 DBADRM COc1cccc([C@H](O)C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1 ZINC000378319907 138198978 /nfs/dbraw/zinc/19/89/78/138198978.db2.gz WNRSUNIYOKDSOT-RYUDHWBXSA-N -1 0 319.321 -0.158 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000408121855 138207481 /nfs/dbraw/zinc/20/74/81/138207481.db2.gz RLNHCWBMFLHSPK-KCJUWKMLSA-N -1 0 304.393 -0.016 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000408253128 138212745 /nfs/dbraw/zinc/21/27/45/138212745.db2.gz FBJGKLLGBCIMTQ-NEPJUHHUSA-N -1 0 320.411 -0.420 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]([N-]S(=O)(=O)CC(F)(F)F)C1 ZINC000408310543 138214203 /nfs/dbraw/zinc/21/42/03/138214203.db2.gz SNXRAXDEOLNYRY-SSDOTTSWSA-N -1 0 324.346 -0.108 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408397266 138216862 /nfs/dbraw/zinc/21/68/62/138216862.db2.gz XFCUJMHLNZLEPB-SECBINFHSA-N -1 0 318.351 -0.850 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)CC1=O ZINC000408429297 138218388 /nfs/dbraw/zinc/21/83/88/138218388.db2.gz XRCCDXFCOYWYPZ-ZJUUUORDSA-N -1 0 304.368 -0.520 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000408426573 138218724 /nfs/dbraw/zinc/21/87/24/138218724.db2.gz KQTLBXSBGZTIIN-QWRGUYRKSA-N -1 0 318.395 -0.130 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000408445257 138219237 /nfs/dbraw/zinc/21/92/37/138219237.db2.gz XWBDSMFRZACVFT-UHFFFAOYSA-N -1 0 303.340 -0.683 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408456276 138219775 /nfs/dbraw/zinc/21/97/75/138219775.db2.gz HHIAHVKGNKQZBX-GHMZBOCLSA-N -1 0 306.384 -0.668 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000408487047 138220251 /nfs/dbraw/zinc/22/02/51/138220251.db2.gz URMBLZMXZKNAHM-NXEZZACHSA-N -1 0 304.368 -0.520 20 0 DBADRM CC1(Cn2cc(C(=O)[N-]S(=O)(=O)C3CCC3)nn2)COC1 ZINC000408480465 138220338 /nfs/dbraw/zinc/22/03/38/138220338.db2.gz CPGWTVCBDYUCOM-UHFFFAOYSA-N -1 0 314.367 -0.073 20 0 DBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c1=O ZINC000408498300 138220348 /nfs/dbraw/zinc/22/03/48/138220348.db2.gz MTNICERMRREHNL-UTLUCORTSA-N -1 0 314.367 -0.784 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1nnn(C)c1C ZINC000408489048 138220365 /nfs/dbraw/zinc/22/03/65/138220365.db2.gz PFNQRDNBCXVRDE-UHFFFAOYSA-N -1 0 312.355 -0.407 20 0 DBADRM Cc1oc(C(=O)[N-]S(C)(=O)=O)cc1S(=O)(=O)N(C)C ZINC000408485260 138220375 /nfs/dbraw/zinc/22/03/75/138220375.db2.gz GSXZPHMIXZCZCZ-UHFFFAOYSA-N -1 0 310.353 -0.472 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000408480404 138220405 /nfs/dbraw/zinc/22/04/05/138220405.db2.gz HPAIMYYKTQZKRC-VIFPVBQESA-N -1 0 319.408 -0.023 20 0 DBADRM CC(C)(C)n1cnc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)n1 ZINC000408476211 138220479 /nfs/dbraw/zinc/22/04/79/138220479.db2.gz KBNNOVGJXYBOMJ-QMMMGPOBSA-N -1 0 302.356 -0.118 20 0 DBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000408484939 138220484 /nfs/dbraw/zinc/22/04/84/138220484.db2.gz OTTCPJMTYLFVTC-LLVKDONJSA-N -1 0 306.384 -0.666 20 0 DBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)CCC(=O)NC1 ZINC000408479119 138220492 /nfs/dbraw/zinc/22/04/92/138220492.db2.gz LNSOYFPKCXGJJL-ZWNOBZJWSA-N -1 0 318.395 -0.082 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000408475152 138220519 /nfs/dbraw/zinc/22/05/19/138220519.db2.gz BZJLELUOKCLEIB-MRVPVSSYSA-N -1 0 312.351 -0.764 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000408477824 138220556 /nfs/dbraw/zinc/22/05/56/138220556.db2.gz HBUDLEGMBTYRPT-MXWKQRLJSA-N -1 0 318.395 -0.097 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)CCO1 ZINC000262754854 304077270 /nfs/dbraw/zinc/07/72/70/304077270.db2.gz KWOPEBCCHRIRHN-GFCCVEGCSA-N -1 0 317.305 -0.022 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000262436097 283415944 /nfs/dbraw/zinc/41/59/44/283415944.db2.gz SFSVLHLHFXKZMF-GXFFZTMASA-N -1 0 319.379 -0.239 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])cn1 ZINC000261753832 291172007 /nfs/dbraw/zinc/17/20/07/291172007.db2.gz WUWIRSIDNNXAKR-ZETCQYMHSA-N -1 0 305.312 -0.850 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000129719757 304084697 /nfs/dbraw/zinc/08/46/97/304084697.db2.gz CEFWTRMZDYDMHZ-VIFPVBQESA-N -1 0 306.340 -0.988 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)CN1CCCS1(=O)=O ZINC000262183785 304086179 /nfs/dbraw/zinc/08/61/79/304086179.db2.gz QHIBJVUVFVQPJW-VIFPVBQESA-N -1 0 322.408 -0.559 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC ZINC000497218403 291196795 /nfs/dbraw/zinc/19/67/95/291196795.db2.gz JEVJSMWPGQRZRU-HTQZYQBOSA-N -1 0 324.355 -0.624 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000035099272 283543000 /nfs/dbraw/zinc/54/30/00/283543000.db2.gz KJSVWSCIOURZDH-SECBINFHSA-N -1 0 322.364 -0.525 20 0 DBADRM COc1ccc(OC)c(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000090262747 283558701 /nfs/dbraw/zinc/55/87/01/283558701.db2.gz BQPCYIWCVLDOHC-QMMMGPOBSA-N -1 0 305.308 -0.572 20 0 DBADRM O=C(NCCCNC(=O)c1ccc(F)cc1)c1nc(=O)[nH][n-]1 ZINC000111628447 283560597 /nfs/dbraw/zinc/56/05/97/283560597.db2.gz UYFUCHPZWWAQMF-UHFFFAOYSA-N -1 0 307.285 -0.213 20 0 DBADRM C[C@@H](C(=O)NC(N)=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000131651008 283571767 /nfs/dbraw/zinc/57/17/67/283571767.db2.gz UHZYJBQFUZFFOT-LURJTMIESA-N -1 0 309.351 0.000 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)nc1C ZINC000232107937 283583525 /nfs/dbraw/zinc/58/35/25/283583525.db2.gz UDNXRSCTRIFMNA-SECBINFHSA-N -1 0 305.356 -0.021 20 0 DBADRM O=C(Cc1ccc(-n2cnnn2)cc1)NCCc1nc(=O)o[n-]1 ZINC000447632125 238331927 /nfs/dbraw/zinc/33/19/27/238331927.db2.gz FDWVSNZUDWKDPH-UHFFFAOYSA-N -1 0 315.293 -0.760 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000447635314 238332026 /nfs/dbraw/zinc/33/20/26/238332026.db2.gz ZFPRAZJZCBNDDQ-UHFFFAOYSA-N -1 0 320.305 -0.410 20 0 DBADRM O=C(CNC(=O)c1cccc(F)c1)NCCc1nc(=O)o[n-]1 ZINC000447631936 238332293 /nfs/dbraw/zinc/33/22/93/238332293.db2.gz BIELYMPTXCSBFC-UHFFFAOYSA-N -1 0 308.269 -0.409 20 0 DBADRM CN(CCC(=O)[O-])C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000532876038 283626338 /nfs/dbraw/zinc/62/63/38/283626338.db2.gz LTKJKAICSNVGMX-UHFFFAOYSA-N -1 0 306.365 -0.129 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2cccc(CC(=O)[O-])c2)C1=O ZINC000532873769 283626470 /nfs/dbraw/zinc/62/64/70/283626470.db2.gz BOLZFMYPERXUBX-UHFFFAOYSA-N -1 0 319.273 -0.327 20 0 DBADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000536308207 283659921 /nfs/dbraw/zinc/65/99/21/283659921.db2.gz DMQYYKXHKIBIHH-SSDOTTSWSA-N -1 0 322.364 -0.572 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000537402058 283665981 /nfs/dbraw/zinc/66/59/81/283665981.db2.gz CPSWULAAYJMJPY-UHFFFAOYSA-N -1 0 322.383 -0.640 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000037417803 299330752 /nfs/dbraw/zinc/33/07/52/299330752.db2.gz VJQHPNUSKXJCRT-ZETCQYMHSA-N -1 0 307.349 -0.159 20 0 DBADRM CCC[C@@]1(C)C(=O)NCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000275770196 283714778 /nfs/dbraw/zinc/71/47/78/283714778.db2.gz DKIWOPNXYCLLFG-AWEZNQCLSA-N -1 0 308.338 -0.383 20 0 DBADRM O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1n[nH]c(=O)[n-]1 ZINC000545203932 283718502 /nfs/dbraw/zinc/71/85/02/283718502.db2.gz RJXVODDGRRMSFI-UHFFFAOYSA-N -1 0 322.300 -0.189 20 0 DBADRM COC[C@@H](C)S(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000547569587 283745094 /nfs/dbraw/zinc/74/50/94/283745094.db2.gz MZTHAWUYAKNPSP-KOLCDFICSA-N -1 0 319.383 -0.382 20 0 DBADRM COC[C@H](C)S(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000547569591 283745097 /nfs/dbraw/zinc/74/50/97/283745097.db2.gz MZTHAWUYAKNPSP-ONGXEEELSA-N -1 0 319.383 -0.382 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000547582366 283745578 /nfs/dbraw/zinc/74/55/78/283745578.db2.gz NWTFXLADDVISFO-UHFFFAOYSA-N -1 0 317.371 -0.571 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000547592726 283745886 /nfs/dbraw/zinc/74/58/86/283745886.db2.gz JKRHMEKHPWZSBJ-NXEZZACHSA-N -1 0 322.383 -0.089 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)Cc1ccccc1Cl ZINC000547544226 283742525 /nfs/dbraw/zinc/74/25/25/283742525.db2.gz ILLANMRFDOBLQW-UHFFFAOYSA-N -1 0 320.754 -0.040 20 0 DBADRM CN1CCc2ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc21 ZINC000547546010 283743273 /nfs/dbraw/zinc/74/32/73/283743273.db2.gz XNSGYUBSLDHYCH-LLVKDONJSA-N -1 0 314.363 -0.207 20 0 DBADRM Cc1cnn(C[C@H](NS(=O)(=O)N2CCCC2)C(=O)[O-])c1 ZINC000547556308 283743574 /nfs/dbraw/zinc/74/35/74/283743574.db2.gz LTSBYEMMFJWTDJ-JTQLQIEISA-N -1 0 302.356 -0.425 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000547557909 283744383 /nfs/dbraw/zinc/74/43/83/283744383.db2.gz AXUCKRKRYRLIOY-SNVBAGLBSA-N -1 0 313.339 -0.136 20 0 DBADRM COC(=O)CCCS(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000547557235 283744511 /nfs/dbraw/zinc/74/45/11/283744511.db2.gz JDCZDTZZDABRRU-VHSXEESVSA-N -1 0 323.367 -0.261 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC000547615677 283747231 /nfs/dbraw/zinc/74/72/31/283747231.db2.gz RKIBQLPOFNYNPI-VHSXEESVSA-N -1 0 324.399 -0.454 20 0 DBADRM Cn1cc(C[C@@H](CNS(=O)(=O)CCCF)C(=O)[O-])cn1 ZINC000547896953 283757541 /nfs/dbraw/zinc/75/75/41/283757541.db2.gz WHAAQLWFBSJQNO-JTQLQIEISA-N -1 0 307.347 -0.058 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)CCOC(C)C)C(=O)[O-])c1 ZINC000547902017 283757644 /nfs/dbraw/zinc/75/76/44/283757644.db2.gz WIHXOJSXFIKENL-LLVKDONJSA-N -1 0 319.383 -0.011 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)cn1C ZINC000547896956 283757699 /nfs/dbraw/zinc/75/76/99/283757699.db2.gz WIIQJKYETLFTAY-SNVBAGLBSA-N -1 0 316.335 -0.047 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)N1CC[C@@H](C)C1)C(=O)[O-] ZINC000547899474 283757810 /nfs/dbraw/zinc/75/78/10/283757810.db2.gz XYGIUTIHEFROSR-RKDXNWHRSA-N -1 0 308.356 -0.431 20 0 DBADRM C[C@@H](CCNS(=O)(=O)CCCS(C)(=O)=O)CC(=O)[O-] ZINC000547912914 283758535 /nfs/dbraw/zinc/75/85/35/283758535.db2.gz FZROESHAYUDLOA-VIFPVBQESA-N -1 0 315.413 -0.159 20 0 DBADRM CCCN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000547919130 283759206 /nfs/dbraw/zinc/75/92/06/283759206.db2.gz ZBRRRDKOABNXLQ-IUCAKERBSA-N -1 0 307.372 -0.777 20 0 DBADRM COCCCS(=O)(=O)N[C@@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000547883095 283756317 /nfs/dbraw/zinc/75/63/17/283756317.db2.gz WMJPVZFCYLKGNA-NSHDSACASA-N -1 0 319.383 -0.091 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000547880419 283756392 /nfs/dbraw/zinc/75/63/92/283756392.db2.gz KFABLQHWTSKFGW-IMSYWVGJSA-N -1 0 323.367 -0.528 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCCOCC(=O)[O-])s1 ZINC000547933931 283760584 /nfs/dbraw/zinc/76/05/84/283760584.db2.gz TXMQXDOXIVQQBU-UHFFFAOYSA-N -1 0 323.348 -0.086 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)C3CC3)C2)C1 ZINC000548244965 283772310 /nfs/dbraw/zinc/77/23/10/283772310.db2.gz XICRYPMAMYCXKP-RKDXNWHRSA-N -1 0 302.352 -0.514 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)C[C@H](C)C(=O)OC ZINC000548243135 283772457 /nfs/dbraw/zinc/77/24/57/283772457.db2.gz MUDJLWRWFHSQCP-VIFPVBQESA-N -1 0 311.356 -0.452 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)Cc1cccc(F)c1)C(=O)[O-] ZINC000548201513 283769383 /nfs/dbraw/zinc/76/93/83/283769383.db2.gz ORRQAHWTLWSUGR-SNVBAGLBSA-N -1 0 318.326 -0.036 20 0 DBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000548208852 283770186 /nfs/dbraw/zinc/77/01/86/283770186.db2.gz RJFJRQDVDOEFQG-VXNVDRBHSA-N -1 0 307.372 -0.730 20 0 DBADRM CCc1noc2ncc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc12 ZINC000548205644 283770227 /nfs/dbraw/zinc/77/02/27/283770227.db2.gz IJLKVECVDDUMLS-VIFPVBQESA-N -1 0 315.307 -0.491 20 0 DBADRM Cc1cc(C)n(C[C@H](NS(=O)(=O)[C@H]2CCOC2)C(=O)[O-])n1 ZINC000548220121 283770726 /nfs/dbraw/zinc/77/07/26/283770726.db2.gz ZEGYMGREJRJWMA-QWRGUYRKSA-N -1 0 317.367 -0.339 20 0 DBADRM CCC(CC)S(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-] ZINC000548220849 283770728 /nfs/dbraw/zinc/77/07/28/283770728.db2.gz LXDKYWOZNJFZCG-NSHDSACASA-N -1 0 308.400 -0.120 20 0 DBADRM CC[C@@H](C)CS(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000548217146 283770843 /nfs/dbraw/zinc/77/08/43/283770843.db2.gz PUCBLAVZEVRIJQ-ZJUUUORDSA-N -1 0 306.384 -0.115 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-] ZINC000548213653 283770882 /nfs/dbraw/zinc/77/08/82/283770882.db2.gz DWPVLLJSUOTUTO-MRVPVSSYSA-N -1 0 306.296 -0.821 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@H](CCC(=O)OC)C(=O)[O-] ZINC000548224314 283771345 /nfs/dbraw/zinc/77/13/45/283771345.db2.gz YHKMWBDJIDHDBI-RKDXNWHRSA-N -1 0 311.356 -0.263 20 0 DBADRM COCC[C@H](C)S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000548222868 283771350 /nfs/dbraw/zinc/77/13/50/283771350.db2.gz KCFZPOZWIISFHV-UWVGGRQHSA-N -1 0 322.383 -0.736 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000548232368 283771910 /nfs/dbraw/zinc/77/19/10/283771910.db2.gz NYSFGUBLHAQHAL-ZJUUUORDSA-N -1 0 323.367 -0.573 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)[O-] ZINC000548266419 283773754 /nfs/dbraw/zinc/77/37/54/283773754.db2.gz UJTGQIRDSWFIJJ-HRDYMLBCSA-N -1 0 311.356 -0.671 20 0 DBADRM Cn1[n-]nnc1=NCCCCN1C(=O)NC2(CCCC2)C1=O ZINC000548484981 283781260 /nfs/dbraw/zinc/78/12/60/283781260.db2.gz PDJPIQPMPGDGQS-UHFFFAOYSA-N -1 0 307.358 -0.311 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000548554194 283784800 /nfs/dbraw/zinc/78/48/00/283784800.db2.gz MGJBIICCFQVRPE-KOLCDFICSA-N -1 0 319.383 -0.240 20 0 DBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000548566962 283785315 /nfs/dbraw/zinc/78/53/15/283785315.db2.gz WCUBRKLCFHTSQW-SNVBAGLBSA-N -1 0 324.399 -0.501 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCOC1)NS(=O)(=O)C[C@H]1CCCO1 ZINC000548528551 283782464 /nfs/dbraw/zinc/78/24/64/283782464.db2.gz CHKVHUDNHXLLDE-MXWKQRLJSA-N -1 0 307.368 -0.035 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000548529474 283782586 /nfs/dbraw/zinc/78/25/86/283782586.db2.gz DIGSLEOQFZUEKP-SCZZXKLOSA-N -1 0 303.340 -0.329 20 0 DBADRM COc1cccc(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000548534756 283783287 /nfs/dbraw/zinc/78/32/87/283783287.db2.gz NTTLQLZESUOMBJ-KCJUWKMLSA-N -1 0 303.336 -0.051 20 0 DBADRM C[C@H](C(F)(F)F)S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000548586100 283785887 /nfs/dbraw/zinc/78/58/87/283785887.db2.gz CYBWOGDYWGCPEM-DPBSSZIPSA-N -1 0 323.314 -0.216 20 0 DBADRM CN1CCc2ccc(S(=O)(=O)NCCc3nc(=O)o[n-]3)cc21 ZINC000550430609 283806352 /nfs/dbraw/zinc/80/63/52/283806352.db2.gz QNHPHIUFNRASHG-UHFFFAOYSA-N -1 0 324.362 -0.124 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)CSCC(=O)[O-] ZINC000555578448 283945571 /nfs/dbraw/zinc/94/55/71/283945571.db2.gz ONXCAMQXBKABJE-UHFFFAOYSA-N -1 0 312.413 -0.408 20 0 DBADRM CCC[C@H](O)[C@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000556417212 283950797 /nfs/dbraw/zinc/95/07/97/283950797.db2.gz VXDUVXPLSABYFZ-GUBZILKMSA-N -1 0 322.383 -0.571 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000561998103 284005297 /nfs/dbraw/zinc/00/52/97/284005297.db2.gz DVBJPOUVSCXHSN-VIFPVBQESA-N -1 0 323.367 -0.827 20 0 DBADRM CCCc1nc(=NC(=O)NCCN2CCNC(=O)C2)s[n-]1 ZINC000562035085 284005404 /nfs/dbraw/zinc/00/54/04/284005404.db2.gz HMIJYQHJBZPHOO-UHFFFAOYSA-N -1 0 312.399 -0.534 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000562270639 284006947 /nfs/dbraw/zinc/00/69/47/284006947.db2.gz XBDKOHCLXCTNKJ-UHFFFAOYSA-N -1 0 314.371 -0.572 20 0 DBADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000562273820 284006989 /nfs/dbraw/zinc/00/69/89/284006989.db2.gz WFLCYIGGCUPBPX-LBPRGKRZSA-N -1 0 324.358 0.000 20 0 DBADRM CN1C(=O)c2ccc(S(=O)(=O)N3CC(C(=O)[O-])C3)cc2C1=O ZINC000562320030 284007443 /nfs/dbraw/zinc/00/74/43/284007443.db2.gz OUJUCCIMKIHERN-UHFFFAOYSA-N -1 0 324.314 -0.383 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccco1 ZINC000277345951 304136596 /nfs/dbraw/zinc/13/65/96/304136596.db2.gz WTTDOTLTWVDBOX-ZETCQYMHSA-N -1 0 309.321 -0.848 20 0 DBADRM O=C(NCCCN1C(=O)c2ccccc2C1=O)c1n[nH]c(=O)[n-]1 ZINC000561622318 284003519 /nfs/dbraw/zinc/00/35/19/284003519.db2.gz RZGRNZHZLSUASC-UHFFFAOYSA-N -1 0 315.289 -0.074 20 0 DBADRM Cn1cc([C@@H](NS(=O)(=O)CCOCC2CC2)C(=O)[O-])cn1 ZINC000563007767 284019429 /nfs/dbraw/zinc/01/94/29/284019429.db2.gz NBHXPUPWHCSUJC-LLVKDONJSA-N -1 0 317.367 -0.108 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000563133576 284025407 /nfs/dbraw/zinc/02/54/07/284025407.db2.gz JQVUUBOYDLANEV-BDAKNGLRSA-N -1 0 322.321 -0.007 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)Cc2cc[nH]n2)C[C@@H]1C(=O)[O-] ZINC000563133872 284025417 /nfs/dbraw/zinc/02/54/17/284025417.db2.gz PLISSIHKHUSYAY-ONGXEEELSA-N -1 0 308.338 -0.063 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)CC2(CO)CC2)C[C@@H]1C(=O)[O-] ZINC000563132829 284025438 /nfs/dbraw/zinc/02/54/38/284025438.db2.gz XZHMNMXPDGZHFL-QWRGUYRKSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)CC2(CO)CC2)C[C@H]1C(=O)[O-] ZINC000563132830 284025442 /nfs/dbraw/zinc/02/54/42/284025442.db2.gz XZHMNMXPDGZHFL-WDEREUQCSA-N -1 0 312.366 -0.214 20 0 DBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2cnn(C)c2)C1 ZINC000563079371 284021992 /nfs/dbraw/zinc/02/19/92/284021992.db2.gz FNIDCDZBCBHKBV-RKDXNWHRSA-N -1 0 303.340 -0.327 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)N1C(=O)CCC1=O ZINC000563190979 284028302 /nfs/dbraw/zinc/02/83/02/284028302.db2.gz AWMMULMEQQECCQ-IUCAKERBSA-N -1 0 321.337 -0.246 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000563211653 284029298 /nfs/dbraw/zinc/02/92/98/284029298.db2.gz QNCORZUTXCGGCC-UJNFCWOMSA-N -1 0 312.322 -0.767 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)[C@H]1CCO[C@@H](C)C1)C(=O)[O-] ZINC000563226708 284029666 /nfs/dbraw/zinc/02/96/66/284029666.db2.gz SVTNSWYYIYMLHV-XHNCKOQMSA-N -1 0 309.340 -0.510 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000563143662 284026279 /nfs/dbraw/zinc/02/62/79/284026279.db2.gz STUZUJDBGVUPCE-WOPDTQHZSA-N -1 0 310.350 -0.053 20 0 DBADRM COCCN(CCOC)C(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000563430258 284038764 /nfs/dbraw/zinc/03/87/64/284038764.db2.gz DTQJSZKDWVDCQR-NWDGAFQWSA-N -1 0 318.370 -0.141 20 0 DBADRM CNS(=O)(=O)CCNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000563532166 284042213 /nfs/dbraw/zinc/04/22/13/284042213.db2.gz JJZKHSOTURTYPY-DTWKUNHWSA-N -1 0 307.372 -0.712 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)CCOC(F)(F)F)[C@H]1CCOC1 ZINC000563791184 284048610 /nfs/dbraw/zinc/04/86/10/284048610.db2.gz QLTMECFWVAUQIG-NKWVEPMBSA-N -1 0 321.273 -0.068 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000563960405 284053576 /nfs/dbraw/zinc/05/35/76/284053576.db2.gz PMYWYLMVIQRXCY-SECBINFHSA-N -1 0 320.371 -0.432 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC1=O ZINC000564453389 284060449 /nfs/dbraw/zinc/06/04/49/284060449.db2.gz MWDXGSVZBOEAMO-SNVBAGLBSA-N -1 0 305.290 -0.330 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1ccc(N(C)C)nc1)C(=O)[O-] ZINC000564725857 284065677 /nfs/dbraw/zinc/06/56/77/284065677.db2.gz FDUNDGDVPTZHAF-GFCCVEGCSA-N -1 0 317.367 -0.084 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1=O ZINC000564779455 284066790 /nfs/dbraw/zinc/06/67/90/284066790.db2.gz RHQZVLKYZKBGIS-YWVKMMECSA-N -1 0 311.338 -0.909 20 0 DBADRM O=C([O-])c1cncnc1N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000564800421 284067128 /nfs/dbraw/zinc/06/71/28/284067128.db2.gz HNOVUGJVZFGUFW-ZDUSSCGKSA-N -1 0 304.310 -0.202 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000564824394 284067777 /nfs/dbraw/zinc/06/77/77/284067777.db2.gz MIINRNOANDSSPS-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCc2ccnn2C)C[C@H]1C(=O)[O-] ZINC000564987605 284076740 /nfs/dbraw/zinc/07/67/40/284076740.db2.gz ZNIGFIGKCIWUNJ-GXSJLCMTSA-N -1 0 308.338 -0.395 20 0 DBADRM COC(=O)Cc1nc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)n[nH]1 ZINC000564971589 284075294 /nfs/dbraw/zinc/07/52/94/284075294.db2.gz APCHESDLJGNZJF-MRVPVSSYSA-N -1 0 318.355 -0.313 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000565057101 284080096 /nfs/dbraw/zinc/08/00/96/284080096.db2.gz BVCXSMZCGVNHPZ-ZETCQYMHSA-N -1 0 321.380 -0.758 20 0 DBADRM CC(C)(C)n1cnc(C(=O)NCc2cn(CC(=O)[O-])nn2)n1 ZINC000565031462 284078697 /nfs/dbraw/zinc/07/86/97/284078697.db2.gz DZGWLNSLFUVKEC-UHFFFAOYSA-N -1 0 307.314 -0.361 20 0 DBADRM CC(=O)NCCNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000565484231 284096751 /nfs/dbraw/zinc/09/67/51/284096751.db2.gz JYHIOJPCNXVDTD-UHFFFAOYSA-N -1 0 300.336 -0.272 20 0 DBADRM Cc1nc([C@@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)CCO2)n[nH]1 ZINC000565363748 284093603 /nfs/dbraw/zinc/09/36/03/284093603.db2.gz RDALJBKRIFBWPG-AEJSXWLSSA-N -1 0 310.310 -0.355 20 0 DBADRM Cc1cc(C)cc(C(=O)NCC(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000565363484 284093677 /nfs/dbraw/zinc/09/36/77/284093677.db2.gz HBQUQWVEAODKFA-OAHLLOKOSA-N -1 0 308.334 -0.015 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@H]2C=CCCC2)CCS1(=O)=O ZINC000565827980 284105224 /nfs/dbraw/zinc/10/52/24/284105224.db2.gz DXUGETMGLDVVGO-VHSXEESVSA-N -1 0 302.352 -0.012 20 0 DBADRM Cn1cnc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)c1 ZINC000565876712 284106366 /nfs/dbraw/zinc/10/63/66/284106366.db2.gz GRTFDYWZAVEELV-JOYOIKCWSA-N -1 0 315.351 -0.468 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)ncn1 ZINC000565951801 284108055 /nfs/dbraw/zinc/10/80/55/284108055.db2.gz PGLISFWIANHQPO-RKDXNWHRSA-N -1 0 322.321 -0.007 20 0 DBADRM O=c1nc(CCNS(=O)(=O)N2CCc3ccccc3C2)[n-]o1 ZINC000565977989 284108483 /nfs/dbraw/zinc/10/84/83/284108483.db2.gz NMOLOHCOLDODGM-UHFFFAOYSA-N -1 0 324.362 -0.202 20 0 DBADRM CCCc1nc(=NC(=O)NC[C@@H](C)S(N)(=O)=O)s[n-]1 ZINC000350870002 284118167 /nfs/dbraw/zinc/11/81/67/284118167.db2.gz QTRKUCGAEFFBTK-ZCFIWIBFSA-N -1 0 307.401 -0.289 20 0 DBADRM CCN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000330754308 284158203 /nfs/dbraw/zinc/15/82/03/284158203.db2.gz YHRSHLHZAKCKJC-SSDOTTSWSA-N -1 0 320.396 -0.362 20 0 DBADRM CCN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000330754309 284158249 /nfs/dbraw/zinc/15/82/49/284158249.db2.gz YHRSHLHZAKCKJC-ZETCQYMHSA-N -1 0 320.396 -0.362 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CN1CCCS1(=O)=O ZINC000263049985 304156432 /nfs/dbraw/zinc/15/64/32/304156432.db2.gz RZNJAVHRPHUVGI-FOGDFJRCSA-N -1 0 316.379 -0.266 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CN1CCCS1(=O)=O ZINC000263049988 304158244 /nfs/dbraw/zinc/15/82/44/304158244.db2.gz RZNJAVHRPHUVGI-UMNHJUIQSA-N -1 0 316.379 -0.266 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000574986683 335015024 /nfs/dbraw/zinc/01/50/24/335015024.db2.gz VRLNGLAXCMBLQH-SNVBAGLBSA-N -1 0 315.351 -0.378 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCNC(=O)C2)ccc1F ZINC000013069213 181825645 /nfs/dbraw/zinc/82/56/45/181825645.db2.gz YJDGHATZFFEGGS-UHFFFAOYSA-N -1 0 302.283 -0.356 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)[C@H]1CCCOC1 ZINC000262755725 304172728 /nfs/dbraw/zinc/17/27/28/304172728.db2.gz KIEULPVGORCWEA-HBNTYKKESA-N -1 0 319.379 -0.050 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccccc1Cl)C(=O)[O-] ZINC000020301938 182204686 /nfs/dbraw/zinc/20/46/86/182204686.db2.gz XMYGVMHZSBEHDF-SSDOTTSWSA-N -1 0 306.727 -0.053 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)CC(=O)[O-] ZINC000530435914 374257968 /nfs/dbraw/zinc/25/79/68/374257968.db2.gz ZERUQYHHKRLVRO-SECBINFHSA-N -1 0 316.335 -0.447 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1c(C)nn(C)c1C)CC(=O)[O-] ZINC000232107814 374283604 /nfs/dbraw/zinc/28/36/04/374283604.db2.gz XNXJBEZBNBNCCU-VIFPVBQESA-N -1 0 305.356 -0.195 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000625154634 374374013 /nfs/dbraw/zinc/37/40/13/374374013.db2.gz ZLVOUQOUCNPWLM-MRVPVSSYSA-N -1 0 312.351 -0.586 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CCC[C@H](c2nnn[n-]2)C1)C(C)C ZINC000533573032 374392191 /nfs/dbraw/zinc/39/21/91/374392191.db2.gz YTAWELBGDUDDAZ-JQWIXIFHSA-N -1 0 324.385 -0.307 20 0 DBADRM CO[C@H]1CC[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000235046825 374393111 /nfs/dbraw/zinc/39/31/11/374393111.db2.gz OMOOVLVQZWDDLG-BDAKNGLRSA-N -1 0 303.340 -0.187 20 0 DBADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)NCCNS(C)(=O)=O ZINC000233325146 374375807 /nfs/dbraw/zinc/37/58/07/374375807.db2.gz CPAQBYKWLFRPDS-LBPRGKRZSA-N -1 0 321.399 -0.036 20 0 DBADRM COCCn1cc(S(=O)(=O)N2CC([C@H](C)C(=O)[O-])C2)cn1 ZINC000530525633 374377823 /nfs/dbraw/zinc/37/78/23/374377823.db2.gz JOFQESBWZKNKOF-VIFPVBQESA-N -1 0 317.367 -0.129 20 0 DBADRM CC[C@@](C)(CNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000211194832 374381993 /nfs/dbraw/zinc/38/19/93/374381993.db2.gz NJKXHXOKQJKOND-LBPRGKRZSA-N -1 0 317.367 -0.097 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000234365816 374384368 /nfs/dbraw/zinc/38/43/68/374384368.db2.gz ZUBRMMJYYIAEHT-QMMMGPOBSA-N -1 0 317.367 -0.274 20 0 DBADRM CC[C@](C)(CNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000211194890 374384883 /nfs/dbraw/zinc/38/48/83/374384883.db2.gz NJKXHXOKQJKOND-GFCCVEGCSA-N -1 0 317.367 -0.097 20 0 DBADRM COCCOCCCNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000234817027 374390635 /nfs/dbraw/zinc/39/06/35/374390635.db2.gz SULNMMJYCHKCBX-UHFFFAOYSA-N -1 0 307.328 -0.561 20 0 DBADRM COCCOCCCNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000234816248 374391104 /nfs/dbraw/zinc/39/11/04/374391104.db2.gz IRDINEUBMDEXMD-LLVKDONJSA-N -1 0 324.399 -0.330 20 0 DBADRM NS(=O)(=O)c1ccc(N2CCS(=O)CC2)c(C(=O)[O-])c1 ZINC000049692924 374412584 /nfs/dbraw/zinc/41/25/84/374412584.db2.gz ZYGHSMVSZPTMCQ-UHFFFAOYSA-N -1 0 318.376 -0.399 20 0 DBADRM COC[C@@H](CNC(=O)N1CC[C@](COC)(C(=O)[O-])C1)OC ZINC000314876733 374418379 /nfs/dbraw/zinc/41/83/79/374418379.db2.gz GLYKSMXBUQEEQE-MFKMUULPSA-N -1 0 304.343 -0.220 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114636 374425782 /nfs/dbraw/zinc/42/57/82/374425782.db2.gz LAZDVUYUEFZLRW-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM CCn1cnc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)c1 ZINC000131789722 374429384 /nfs/dbraw/zinc/42/93/84/374429384.db2.gz NGVUCEQCINEOIV-UHFFFAOYSA-N -1 0 303.340 -0.185 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)cn1C ZINC000130820363 374430513 /nfs/dbraw/zinc/43/05/13/374430513.db2.gz UEXLGPRYZQUDPS-JTQLQIEISA-N -1 0 313.339 -0.434 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)NC2(C(=O)[O-])CCC2)CC1 ZINC000164924027 374432217 /nfs/dbraw/zinc/43/22/17/374432217.db2.gz VJUYRRLHRYOHPF-UHFFFAOYSA-N -1 0 320.367 -0.287 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000627661518 374459617 /nfs/dbraw/zinc/45/96/17/374459617.db2.gz ZUCMHDAJKFIETO-QMMMGPOBSA-N -1 0 314.367 -0.293 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N2CC(C(=O)[O-])C2)cn1C ZINC000071173205 374480120 /nfs/dbraw/zinc/48/01/20/374480120.db2.gz HSPBYLKQHOXETI-UHFFFAOYSA-N -1 0 301.324 -0.910 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1=O ZINC000616422297 374514273 /nfs/dbraw/zinc/51/42/73/374514273.db2.gz UVWZUNNIIOROGX-SSDOTTSWSA-N -1 0 304.262 -0.194 20 0 DBADRM COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)[N-]CC(F)(F)CO ZINC000234576012 374578951 /nfs/dbraw/zinc/57/89/51/374578951.db2.gz JVLCSLGCQLWGFZ-YUMQZZPRSA-N -1 0 301.311 -0.125 20 0 DBADRM Cc1c(/C=C\C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cnn1C ZINC000255514950 374587416 /nfs/dbraw/zinc/58/74/16/374587416.db2.gz GKICBRMVSZDKCT-PLNGDYQASA-N -1 0 309.351 -0.020 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)CC[C@H]1C(=O)[O-] ZINC000634698598 374592459 /nfs/dbraw/zinc/59/24/59/374592459.db2.gz RKFJBUIPPHJWRV-NNYUYHANSA-N -1 0 310.350 -0.340 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634698825 374592589 /nfs/dbraw/zinc/59/25/89/374592589.db2.gz YXSRYEVAFOPAAU-PHIMTYICSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)C(=O)N1CCOCC1 ZINC000317407143 374592730 /nfs/dbraw/zinc/59/27/30/374592730.db2.gz MRWBKCAXWKMSJN-SECBINFHSA-N -1 0 307.306 -0.243 20 0 DBADRM C[NH+]1CCC(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000054148024 374593181 /nfs/dbraw/zinc/59/31/81/374593181.db2.gz SKYNYYUQTPIMGZ-UHFFFAOYSA-N -1 0 303.322 -0.152 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCCOCCO ZINC000231521496 374601635 /nfs/dbraw/zinc/60/16/35/374601635.db2.gz YXASOGJAXJYHLP-UHFFFAOYSA-N -1 0 324.380 -0.393 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000048242926 374641166 /nfs/dbraw/zinc/64/11/66/374641166.db2.gz SFTDJYPKJIVTLA-LURJTMIESA-N -1 0 305.294 -0.722 20 0 DBADRM C[C@H]1CCN(C(=O)NCCNS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000584111200 374610845 /nfs/dbraw/zinc/61/08/45/374610845.db2.gz QOIMXDDMATUXCF-IUCAKERBSA-N -1 0 307.372 -0.712 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCS(=O)(=O)N(C)C)C1 ZINC000263361586 374620005 /nfs/dbraw/zinc/62/00/05/374620005.db2.gz SCBZFMIVSLKXLH-VHSXEESVSA-N -1 0 321.399 -0.370 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-][C@@H]1COCCC1=O)C1CCOCC1 ZINC000625492386 374659675 /nfs/dbraw/zinc/65/96/75/374659675.db2.gz QMPBAXQIYMWEPH-DGCLKSJQSA-N -1 0 321.395 -0.295 20 0 DBADRM O=C([O-])C1(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000558387095 374668947 /nfs/dbraw/zinc/66/89/47/374668947.db2.gz ARGNDPULXZCGPS-UHFFFAOYSA-N -1 0 304.306 -0.179 20 0 DBADRM NC(=O)C[C@H]1CN(S(=O)(=O)c2ccccc2[O-])CCO1 ZINC000625615265 374705176 /nfs/dbraw/zinc/70/51/76/374705176.db2.gz VMNKIKRQRKXUAP-VIFPVBQESA-N -1 0 300.336 -0.343 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)c1 ZINC000566114550 374736601 /nfs/dbraw/zinc/73/66/01/374736601.db2.gz BXWOHPPHDUMXII-SCZZXKLOSA-N -1 0 303.340 -0.422 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000600451007 374739459 /nfs/dbraw/zinc/73/94/59/374739459.db2.gz LHIMGOLMZCDLEA-JTQLQIEISA-N -1 0 321.289 -0.316 20 0 DBADRM COCC[C@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000052785897 374797810 /nfs/dbraw/zinc/79/78/10/374797810.db2.gz UXWQNQOOOLADIP-GUBZILKMSA-N -1 0 310.372 -0.580 20 0 DBADRM CN(C)S(=O)(=O)c1ccc2c(c1)N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC000092643059 374804720 /nfs/dbraw/zinc/80/47/20/374804720.db2.gz CVVLPDPTIVCQJF-UHFFFAOYSA-N -1 0 323.378 -0.089 20 0 DBADRM CC(C)[C@H](NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400106300 374807134 /nfs/dbraw/zinc/80/71/34/374807134.db2.gz DAXPKFALBJSGKH-ZJUUUORDSA-N -1 0 321.399 -0.181 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000400109120 374808317 /nfs/dbraw/zinc/80/83/17/374808317.db2.gz FCXYBMRTNCXMSX-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM CC1(C)CN(S(=O)(=O)[N-]CC(F)(F)F)C[C@H](CO)O1 ZINC000127312602 374767524 /nfs/dbraw/zinc/76/75/24/374767524.db2.gz SIWQUINXCQSSQN-SSDOTTSWSA-N -1 0 306.306 -0.145 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)CC(C)(C)C(=O)OC)C(=O)OC ZINC000588896979 374771056 /nfs/dbraw/zinc/77/10/56/374771056.db2.gz NLTAOUXZFYNATN-MRVPVSSYSA-N -1 0 311.356 -0.707 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000130813760 374774752 /nfs/dbraw/zinc/77/47/52/374774752.db2.gz YEXCJKNMNUVEMR-VIFPVBQESA-N -1 0 313.339 -0.136 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000130813975 374775242 /nfs/dbraw/zinc/77/52/42/374775242.db2.gz YEXCJKNMNUVEMR-SECBINFHSA-N -1 0 313.339 -0.136 20 0 DBADRM Cc1nn(C)c(C)c1-c1cc(C(=O)NCc2nnn[n-]2)[nH]n1 ZINC000600497867 374785411 /nfs/dbraw/zinc/78/54/11/374785411.db2.gz QVDPMYWNIKKSHB-UHFFFAOYSA-N -1 0 301.314 -0.130 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1nnn[n-]1 ZINC000600496042 374786437 /nfs/dbraw/zinc/78/64/37/374786437.db2.gz POHJKDCEFIJMBA-QMMMGPOBSA-N -1 0 310.339 -0.817 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000600498715 374787610 /nfs/dbraw/zinc/78/76/10/374787610.db2.gz XQUJPSKMKSYGDJ-SNVBAGLBSA-N -1 0 307.358 -0.256 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000600498699 374787931 /nfs/dbraw/zinc/78/79/31/374787931.db2.gz XQUJPSKMKSYGDJ-JTQLQIEISA-N -1 0 307.358 -0.256 20 0 DBADRM CN1CCN([C@H](C(=O)[N-]OCC(N)=O)c2ccccc2)CC1 ZINC000089464199 374789744 /nfs/dbraw/zinc/78/97/44/374789744.db2.gz NWLKSKIHGPMALI-AWEZNQCLSA-N -1 0 306.366 -0.492 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000400181825 374888011 /nfs/dbraw/zinc/88/80/11/374888011.db2.gz HMEFMYOZIVGVKS-DTWKUNHWSA-N -1 0 305.356 -0.864 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N[C@H](C(=O)[O-])C2CC2)C1 ZINC000400189921 374888039 /nfs/dbraw/zinc/88/80/39/374888039.db2.gz LENSMPUBETVNAP-IUCAKERBSA-N -1 0 305.356 -0.817 20 0 DBADRM CC[C@@](C)(NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400198136 374891166 /nfs/dbraw/zinc/89/11/66/374891166.db2.gz PWTIXXRVQGIXRE-LDYMZIIASA-N -1 0 307.372 -0.427 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC000600657435 374837105 /nfs/dbraw/zinc/83/71/05/374837105.db2.gz REZUDEAKFFRTTR-BQBZGAKWSA-N -1 0 315.294 -0.081 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000600657872 374837457 /nfs/dbraw/zinc/83/74/57/374837457.db2.gz KHYVIWNSWUEDDB-CABZTGNLSA-N -1 0 323.367 -0.167 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC000600657871 374837735 /nfs/dbraw/zinc/83/77/35/374837735.db2.gz KHYVIWNSWUEDDB-BXKDBHETSA-N -1 0 323.367 -0.167 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CCC[C@]1(C)C(=O)[O-] ZINC000600700350 374842850 /nfs/dbraw/zinc/84/28/50/374842850.db2.gz CDFXESMEYMHZHR-TVQRCGJNSA-N -1 0 301.343 -0.214 20 0 DBADRM COC(=O)COCCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000600836331 374860793 /nfs/dbraw/zinc/86/07/93/374860793.db2.gz MRMXNKYWSHWPAD-UHFFFAOYSA-N -1 0 321.289 -0.051 20 0 DBADRM C[C@H]1OCCN(S(=O)(=O)c2c(Cl)cnn2C)[C@@H]1C(=O)[O-] ZINC000380870617 374900569 /nfs/dbraw/zinc/90/05/69/374900569.db2.gz YGWPWHINKGZEBA-SVRRBLITSA-N -1 0 323.758 -0.064 20 0 DBADRM O=C(CCNS(=O)(=O)c1cccs1)NCc1nnn[n-]1 ZINC000044927448 374933598 /nfs/dbraw/zinc/93/35/98/374933598.db2.gz IJOFFKJMHRPBLY-UHFFFAOYSA-N -1 0 316.368 -0.754 20 0 DBADRM COc1cccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c1C ZINC000625950449 374941949 /nfs/dbraw/zinc/94/19/49/374941949.db2.gz PFNDTBKUIGZNJV-AWEZNQCLSA-N -1 0 310.306 -0.106 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1c(C)nn(C)c1C ZINC000049606924 374959825 /nfs/dbraw/zinc/95/98/25/374959825.db2.gz HNIHSCJUIHDXLZ-UHFFFAOYSA-N -1 0 305.356 -0.241 20 0 DBADRM CCN(CC)S(=O)(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000117930436 375000406 /nfs/dbraw/zinc/00/04/06/375000406.db2.gz ZPTYRQUDXXXRFP-LLVKDONJSA-N -1 0 315.399 -0.298 20 0 DBADRM CN(CC(=O)N1CCC[C@@H]1C(=O)[O-])c1ncnc2nc[nH]c21 ZINC000262194687 375031105 /nfs/dbraw/zinc/03/11/05/375031105.db2.gz ZEXVLDBJJIEJKA-MRVPVSSYSA-N -1 0 304.310 -0.135 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCCCC3)cc-2c(=O)[n-]1 ZINC000176627925 375071382 /nfs/dbraw/zinc/07/13/82/375071382.db2.gz WMJAEHCWWWVYKX-UHFFFAOYSA-N -1 0 310.335 -0.214 20 0 DBADRM C[C@@H](NC(=O)CNC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000262704175 375074649 /nfs/dbraw/zinc/07/46/49/375074649.db2.gz CVSSKTOWXKUHHK-SSDOTTSWSA-N -1 0 311.319 -0.686 20 0 DBADRM CN(C(=O)C1CC(C(=O)[O-])C1)C1CCN(S(C)(=O)=O)CC1 ZINC000634919197 375074904 /nfs/dbraw/zinc/07/49/04/375074904.db2.gz JIRAYEOMDOVXAQ-UHFFFAOYSA-N -1 0 318.395 -0.020 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000408377193 375088945 /nfs/dbraw/zinc/08/89/45/375088945.db2.gz ZKQALOIHWPZKBD-NTSWFWBYSA-N -1 0 302.274 -0.091 20 0 DBADRM CC[C@@H](C)C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)[O-] ZINC000400596062 375090871 /nfs/dbraw/zinc/09/08/71/375090871.db2.gz BDYRSADDEMOYSN-ZJUUUORDSA-N -1 0 311.338 -0.447 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000427754509 375091415 /nfs/dbraw/zinc/09/14/15/375091415.db2.gz CVDVOQXTKTTXEY-UHFFFAOYSA-N -1 0 318.355 -0.978 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000635115394 375093095 /nfs/dbraw/zinc/09/30/95/375093095.db2.gz FUPQVBGFNQBNEM-LBPRGKRZSA-N -1 0 308.386 -0.154 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000635172166 375100478 /nfs/dbraw/zinc/10/04/78/375100478.db2.gz SJSBODFQXXRBOE-UHFFFAOYSA-N -1 0 321.385 -0.118 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000634856855 375061012 /nfs/dbraw/zinc/06/10/12/375061012.db2.gz BZSGELFTWPWBMX-ZJUUUORDSA-N -1 0 318.395 -0.163 20 0 DBADRM COC(C)(C)CS(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000566859429 375134316 /nfs/dbraw/zinc/13/43/16/375134316.db2.gz SPLLHGDXOKORIB-JTQLQIEISA-N -1 0 319.383 -0.240 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCN(C(C)=O)C2)C1 ZINC000635520555 375137862 /nfs/dbraw/zinc/13/78/62/375137862.db2.gz HDGNFAAJKICMEF-BXUZGUMPSA-N -1 0 313.354 -0.260 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000635517984 375138271 /nfs/dbraw/zinc/13/82/71/375138271.db2.gz MSDIEOOGGDQGCM-GYSYKLTISA-N -1 0 316.354 -0.077 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000635524378 375139502 /nfs/dbraw/zinc/13/95/02/375139502.db2.gz YGFBFJTVDMAZII-LLVKDONJSA-N -1 0 313.354 -0.259 20 0 DBADRM CCOCCO[C@H]1CCN(C(=O)NCCOCC(=O)[O-])C1 ZINC000635524340 375140540 /nfs/dbraw/zinc/14/05/40/375140540.db2.gz ZBEISFNKHUYZOH-NSHDSACASA-N -1 0 304.343 -0.075 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC(C)(C)C(=O)[O-] ZINC000262378681 375147587 /nfs/dbraw/zinc/14/75/87/375147587.db2.gz GPQCJVJGYKYEPO-UHFFFAOYSA-N -1 0 310.372 -0.690 20 0 DBADRM CN(CC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)S(C)(=O)=O ZINC000262794000 375148713 /nfs/dbraw/zinc/14/87/13/375148713.db2.gz LGVIZJHMNDBPGI-UHFFFAOYSA-N -1 0 318.355 -0.467 20 0 DBADRM COC[C@@](C)(NC(=O)Cn1nc2ccccn2c1=O)C(=O)[O-] ZINC000262303519 375163342 /nfs/dbraw/zinc/16/33/42/375163342.db2.gz XWBGAOGFSFUNHW-CYBMUJFWSA-N -1 0 308.294 -0.898 20 0 DBADRM O=C([O-])CSCCNC(=O)CC(=O)NCC(F)(F)F ZINC000262812853 375170169 /nfs/dbraw/zinc/17/01/69/375170169.db2.gz UJCILDVDWMOZKR-UHFFFAOYSA-N -1 0 302.274 -0.011 20 0 DBADRM COc1ccc(-c2noc(=O)n2Cc2n[nH]c(=O)[n-]2)cc1OC ZINC000091584184 375172880 /nfs/dbraw/zinc/17/28/80/375172880.db2.gz FPDOHNDWTZAILY-UHFFFAOYSA-N -1 0 319.277 -0.020 20 0 DBADRM Cn1ncc2c1ncnc2N1CCN(C(=O)CCC(=O)[O-])CC1 ZINC000572600949 375114482 /nfs/dbraw/zinc/11/44/82/375114482.db2.gz YHVOQEOAUZCQSS-UHFFFAOYSA-N -1 0 318.337 -0.123 20 0 DBADRM C[C@]1(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)CCC(=O)NC1 ZINC000408479116 375123644 /nfs/dbraw/zinc/12/36/44/375123644.db2.gz LNSOYFPKCXGJJL-GWCFXTLKSA-N -1 0 318.395 -0.082 20 0 DBADRM C[C@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H](C)CO1 ZINC000146882797 375247562 /nfs/dbraw/zinc/24/75/62/375247562.db2.gz NBUXRKJHNYZPTM-YUMQZZPRSA-N -1 0 304.306 -0.139 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC[C@H]1CN1CCOCC1 ZINC000635617711 375226089 /nfs/dbraw/zinc/22/60/89/375226089.db2.gz HIADEZHZWAVSIJ-LBPRGKRZSA-N -1 0 308.386 -0.154 20 0 DBADRM C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)CCCc1nnn[n-]1 ZINC000635918600 375283987 /nfs/dbraw/zinc/28/39/87/375283987.db2.gz DJZOYPUDCPQKOX-NWDGAFQWSA-N -1 0 308.386 -0.156 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC000569841005 375318810 /nfs/dbraw/zinc/31/88/10/375318810.db2.gz MJPAYIHHRDIERE-LLVKDONJSA-N -1 0 310.372 -0.579 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])co1 ZINC000569693458 375257491 /nfs/dbraw/zinc/25/74/91/375257491.db2.gz MQPYODLCPVALEA-MRVPVSSYSA-N -1 0 302.308 -0.123 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000569692930 375257532 /nfs/dbraw/zinc/25/75/32/375257532.db2.gz WJEICQKQYOZLBM-SECBINFHSA-N -1 0 306.322 -0.450 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)o1 ZINC000586660770 375261392 /nfs/dbraw/zinc/26/13/92/375261392.db2.gz RSYVRXWLKPGRFD-UHFFFAOYSA-N -1 0 314.279 -0.311 20 0 DBADRM CN(CCC(=O)[O-])C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000262864296 375397911 /nfs/dbraw/zinc/39/79/11/375397911.db2.gz HQHDZTLBIQLPGO-UHFFFAOYSA-N -1 0 320.305 -0.821 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2ncccn2)C[C@H]1C(=O)[O-] ZINC000570867980 375398754 /nfs/dbraw/zinc/39/87/54/375398754.db2.gz NPFUJUGOLSENON-NXEZZACHSA-N -1 0 306.322 -0.338 20 0 DBADRM Cc1c(S(=O)(=O)N2CC(C)(C)OC[C@H]2C(=O)[O-])cnn1C ZINC000570534510 375370240 /nfs/dbraw/zinc/37/02/40/375370240.db2.gz AKCUGCVGCJJJED-VIFPVBQESA-N -1 0 317.367 -0.019 20 0 DBADRM O=C(Cn1nnnc1-c1ccsc1)NC1(c2nnn[n-]2)CC1 ZINC000572766446 375370283 /nfs/dbraw/zinc/37/02/83/375370283.db2.gz WIIWVBOCWVYWFZ-UHFFFAOYSA-N -1 0 317.338 -0.280 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC000589546165 375460217 /nfs/dbraw/zinc/46/02/17/375460217.db2.gz BXJUWQUBOHYXPL-KWQFWETISA-N -1 0 306.340 -0.867 20 0 DBADRM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2c[nH]cn2)c1 ZINC000574949312 375406450 /nfs/dbraw/zinc/40/64/50/375406450.db2.gz VIWKTUCQUMNQNH-UHFFFAOYSA-N -1 0 302.337 -0.142 20 0 DBADRM CCN1C[C@H](NC(=O)N2CC[C@](COC)(C(=O)[O-])C2)CC1=O ZINC000391496099 375436392 /nfs/dbraw/zinc/43/63/92/375436392.db2.gz GTMHYRILDKXGJB-YGRLFVJLSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(C)Cc1nc(=NC(=O)Cn2cnc(C(N)=O)n2)s[n-]1 ZINC000618349689 375438365 /nfs/dbraw/zinc/43/83/65/375438365.db2.gz APWPIMQDXUNTOM-UHFFFAOYSA-N -1 0 309.355 -0.512 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c(F)c1 ZINC000589061708 375450647 /nfs/dbraw/zinc/45/06/47/375450647.db2.gz MKNKTMDORWQNOD-QMMMGPOBSA-N -1 0 321.282 -0.664 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000008276171 375453473 /nfs/dbraw/zinc/45/34/73/375453473.db2.gz NSBQHFOSBZVZBB-VIFPVBQESA-N -1 0 304.299 -0.177 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]c1cnn(CC(=O)NC2CC2)c1 ZINC000589260660 375454651 /nfs/dbraw/zinc/45/46/51/375454651.db2.gz VIAGIJAQPOFHSN-UHFFFAOYSA-N -1 0 324.366 -0.304 20 0 DBADRM NS(=O)(=O)c1ccc(NCCn2cncn2)c(C(=O)[O-])c1 ZINC000381963863 375531320 /nfs/dbraw/zinc/53/13/20/375531320.db2.gz ZRSNWJKVPXZUBO-UHFFFAOYSA-N -1 0 311.323 -0.264 20 0 DBADRM CC[C@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)OC ZINC000313752849 375483990 /nfs/dbraw/zinc/48/39/90/375483990.db2.gz GHBTXJHTFYOHPO-JTQLQIEISA-N -1 0 322.383 -0.343 20 0 DBADRM CC(C)[C@@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000175331712 375495241 /nfs/dbraw/zinc/49/52/41/375495241.db2.gz CIISWJPRRVBSOV-SSDOTTSWSA-N -1 0 312.351 -0.066 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cccc2cnccc21)C(=O)[O-] ZINC000314277134 375495629 /nfs/dbraw/zinc/49/56/29/375495629.db2.gz JMSSUFOTKDWYKT-SNVBAGLBSA-N -1 0 323.330 -0.158 20 0 DBADRM CCC[C@@H](NC(=O)Cn1nc2ccccn2c1=O)c1nnn[n-]1 ZINC000176784370 375501390 /nfs/dbraw/zinc/50/13/90/375501390.db2.gz INVKMXZCIWYFKS-SECBINFHSA-N -1 0 316.325 -0.333 20 0 DBADRM C[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1 ZINC000176650334 375501604 /nfs/dbraw/zinc/50/16/04/375501604.db2.gz ISXTVTMTHCNNMK-ZCFIWIBFSA-N -1 0 310.335 -0.312 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000643150521 375613540 /nfs/dbraw/zinc/61/35/40/375613540.db2.gz AYUMRWHHUJCDDR-GFCCVEGCSA-N -1 0 322.317 -0.377 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2cccs2)CCO1 ZINC000643151702 375616974 /nfs/dbraw/zinc/61/69/74/375616974.db2.gz NTMRZMHXNCIUNC-JTQLQIEISA-N -1 0 312.347 -0.281 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC000643153763 375626694 /nfs/dbraw/zinc/62/66/94/375626694.db2.gz WHTQTIUIZWYRCK-SNVBAGLBSA-N -1 0 312.347 -0.015 20 0 DBADRM COCCNC(=O)C1(NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000616248090 375646325 /nfs/dbraw/zinc/64/63/25/375646325.db2.gz HGRUGBBQVRMWFH-UHFFFAOYSA-N -1 0 320.305 -0.047 20 0 DBADRM O=S(=O)(C[C@H](O)CO)c1nc(-c2ccccc2F)n[n-]1 ZINC000195130138 375648354 /nfs/dbraw/zinc/64/83/54/375648354.db2.gz BZKVSKZAHUOEOP-SSDOTTSWSA-N -1 0 301.299 -0.262 20 0 DBADRM Cc1ccc(CCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000643163362 375649480 /nfs/dbraw/zinc/64/94/80/375649480.db2.gz LOAVRUGAHISWBG-ZDUSSCGKSA-N -1 0 320.345 -0.034 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)[C@H]1CCCCO1 ZINC000643163769 375650062 /nfs/dbraw/zinc/65/00/62/375650062.db2.gz KPJUHKJMVODXBR-AXFHLTTASA-N -1 0 314.338 -0.628 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCO[C@@H](CF)C2)c1 ZINC000616255220 375653184 /nfs/dbraw/zinc/65/31/84/375653184.db2.gz ZPWXNEFSVMTBSB-QMMMGPOBSA-N -1 0 318.326 -0.150 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCCS1 ZINC000643166459 375655024 /nfs/dbraw/zinc/65/50/24/375655024.db2.gz SLSBGNODZHVANF-TVQRCGJNSA-N -1 0 316.379 -0.300 20 0 DBADRM CN1CCCc2ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc21 ZINC000364400446 375632456 /nfs/dbraw/zinc/63/24/56/375632456.db2.gz OYOXYZOTTGNFMU-LBPRGKRZSA-N -1 0 314.363 -0.207 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCOC2CCCC2)CCO1 ZINC000643156796 375637467 /nfs/dbraw/zinc/63/74/67/375637467.db2.gz YHJIPTLZFJHJEM-LLVKDONJSA-N -1 0 314.338 -0.626 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])CC1 ZINC000054053887 375638801 /nfs/dbraw/zinc/63/88/01/375638801.db2.gz AIIWAZDZNVMWRI-MRVPVSSYSA-N -1 0 308.356 -0.479 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)CC1=O ZINC000643159134 375640481 /nfs/dbraw/zinc/64/04/81/375640481.db2.gz XEDDXHNNROOGNG-LLVKDONJSA-N -1 0 319.317 -0.652 20 0 DBADRM CC[C@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)[C@H]1CCCO1 ZINC000643168753 375694044 /nfs/dbraw/zinc/69/40/44/375694044.db2.gz BSEKPFQKXCFFLO-AXFHLTTASA-N -1 0 314.338 -0.628 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCS2)CCO1 ZINC000643168565 375689942 /nfs/dbraw/zinc/68/99/42/375689942.db2.gz GCHXFOHUAKJMLZ-UWVGGRQHSA-N -1 0 316.379 -0.300 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCS2)CCO1 ZINC000643168566 375690035 /nfs/dbraw/zinc/69/00/35/375690035.db2.gz GCHXFOHUAKJMLZ-VHSXEESVSA-N -1 0 316.379 -0.300 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)CC1(OC)CCCC1)C(=O)[O-] ZINC000590898992 375699158 /nfs/dbraw/zinc/69/91/58/375699158.db2.gz XYHAAVIRBADTOM-SECBINFHSA-N -1 0 323.367 -0.119 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCO[C@@H]2C2CC2)C1 ZINC000643169271 375699271 /nfs/dbraw/zinc/69/92/71/375699271.db2.gz LJRMUPPSLSADKA-HFAKWTLXSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC2(C3CC3)CCC2)CCO1 ZINC000643169827 375701504 /nfs/dbraw/zinc/70/15/04/375701504.db2.gz IZPDWCAMDMFKMO-LLVKDONJSA-N -1 0 310.350 -0.005 20 0 DBADRM CSC1(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCC1 ZINC000591457973 375715908 /nfs/dbraw/zinc/71/59/08/375715908.db2.gz PEJOVNBICVPVEU-VIFPVBQESA-N -1 0 316.379 -0.300 20 0 DBADRM CSC[C@H]1CCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591568462 375718050 /nfs/dbraw/zinc/71/80/50/375718050.db2.gz HJCASRUDCDWYRW-NXEZZACHSA-N -1 0 316.379 -0.348 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC000592044010 375766247 /nfs/dbraw/zinc/76/62/47/375766247.db2.gz XJHFPYUATJCACF-SECBINFHSA-N -1 0 309.290 -0.082 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cn1 ZINC000567810879 375772962 /nfs/dbraw/zinc/77/29/62/375772962.db2.gz KNQMRWBMMJJTHQ-NSHDSACASA-N -1 0 302.308 -0.388 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H](C2CC2)C2CCC2)CCO1 ZINC000643173311 375821737 /nfs/dbraw/zinc/82/17/37/375821737.db2.gz CCKACHHKTOUSPM-NWDGAFQWSA-N -1 0 310.350 -0.007 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1SC ZINC000592892535 375828102 /nfs/dbraw/zinc/82/81/02/375828102.db2.gz NTILENGQKJASKZ-JKMUOGBPSA-N -1 0 300.340 -0.078 20 0 DBADRM COC(=O)CC1(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CC1 ZINC000592989797 375841548 /nfs/dbraw/zinc/84/15/48/375841548.db2.gz FXLFWCXKKAJZMS-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2F)CCO1 ZINC000643174118 375845089 /nfs/dbraw/zinc/84/50/89/375845089.db2.gz AQCZNMDEOANMJZ-OPRDCNLKSA-N -1 0 302.302 -0.305 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN(CC(=O)[O-])CC1CC1 ZINC000593291434 375855774 /nfs/dbraw/zinc/85/57/74/375855774.db2.gz OYPWMWZRAQPQPV-SECBINFHSA-N -1 0 301.343 -0.356 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN(CC(=O)[O-])CC1CC1 ZINC000593291435 375856120 /nfs/dbraw/zinc/85/61/20/375856120.db2.gz OYPWMWZRAQPQPV-VIFPVBQESA-N -1 0 301.343 -0.356 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)CC1(COC)CCC1)C(=O)OC ZINC000593573691 375872592 /nfs/dbraw/zinc/87/25/92/375872592.db2.gz SDHIGKDZPNLFBG-JTQLQIEISA-N -1 0 309.384 -0.090 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C1CC1 ZINC000593892648 375894486 /nfs/dbraw/zinc/89/44/86/375894486.db2.gz RJGXZGUGFVBUOM-WDEREUQCSA-N -1 0 321.333 -0.243 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)C(=O)N2CCC[C@H]2CO)c1 ZINC000643179058 375898728 /nfs/dbraw/zinc/89/87/28/375898728.db2.gz ZKGNIDAPWFEMLU-LBPRGKRZSA-N -1 0 306.318 -0.016 20 0 DBADRM C[C@]1(O)CCN(C(=O)C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000643179795 375903234 /nfs/dbraw/zinc/90/32/34/375903234.db2.gz NWHXEIBYOJCHEP-HNNXBMFYSA-N -1 0 306.318 -0.016 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000643179777 375903480 /nfs/dbraw/zinc/90/34/80/375903480.db2.gz NKAXNXWCFMXKHF-SECBINFHSA-N -1 0 319.317 -0.652 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000594546946 375934477 /nfs/dbraw/zinc/93/44/77/375934477.db2.gz YEABZHTUARBJMY-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000594547010 375934554 /nfs/dbraw/zinc/93/45/54/375934554.db2.gz ZITKKQRAPHHQHJ-AMIZOPFISA-N -1 0 300.311 -0.765 20 0 DBADRM COC(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000594546952 375934873 /nfs/dbraw/zinc/93/48/73/375934873.db2.gz YEABZHTUARBJMY-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)[C@H](O)C1CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000594527326 375935491 /nfs/dbraw/zinc/93/54/91/375935491.db2.gz DABRXLVDLYAXAV-PSASIEDQSA-N -1 0 302.327 -0.337 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000594529873 375935511 /nfs/dbraw/zinc/93/55/11/375935511.db2.gz NQBMMVMDJPATTJ-HRDYMLBCSA-N -1 0 300.311 -0.719 20 0 DBADRM CSCCN(CC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000594670378 375939147 /nfs/dbraw/zinc/93/91/47/375939147.db2.gz CYIFRUWUDFARTF-UHFFFAOYSA-N -1 0 310.397 -0.414 20 0 DBADRM CSCCN(CC(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000594681451 375941477 /nfs/dbraw/zinc/94/14/77/375941477.db2.gz OZVHGBYOFQHPPZ-SECBINFHSA-N -1 0 324.424 -0.025 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000594766965 375947451 /nfs/dbraw/zinc/94/74/51/375947451.db2.gz IDCFPWQZIOOTNH-JGVFFNPUSA-N -1 0 301.311 -0.125 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2c(C)cnn2C)cn1 ZINC000594729321 375949524 /nfs/dbraw/zinc/94/95/24/375949524.db2.gz OCZPEYGKQWJGTB-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM COC(=O)COCCNC(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000596907512 376102187 /nfs/dbraw/zinc/10/21/87/376102187.db2.gz IBUKTPBGKVPSDT-SSDOTTSWSA-N -1 0 318.355 -0.022 20 0 DBADRM COC(=O)COCCNC(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000596907513 376102521 /nfs/dbraw/zinc/10/25/21/376102521.db2.gz IBUKTPBGKVPSDT-ZETCQYMHSA-N -1 0 318.355 -0.022 20 0 DBADRM Cn1cnc(=NC(=O)N=c2ccn(CC(=O)OC(C)(C)C)[nH]2)[n-]1 ZINC000596919014 376104543 /nfs/dbraw/zinc/10/45/43/376104543.db2.gz JMJKHYAIJLHPKP-UHFFFAOYSA-N -1 0 321.341 -0.159 20 0 DBADRM CCOC(=O)Cn1[n-]c(C)c(C(=O)NC[C@H]2CCCO2)c1=O ZINC000596010528 376058662 /nfs/dbraw/zinc/05/86/62/376058662.db2.gz SNIAVMUIYRAZBZ-ZYHUDNBSSA-N -1 0 311.338 -0.321 20 0 DBADRM COC(=O)[C@H]1C[C@@H](N(C)C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000595994170 376064602 /nfs/dbraw/zinc/06/46/02/376064602.db2.gz YONOEJVITGTCCO-DTORHVGOSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)C[C@H](C)N1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC1 ZINC000595994370 376064877 /nfs/dbraw/zinc/06/48/77/376064877.db2.gz HQMVFXCYEDUEHR-IINYFYTJSA-N -1 0 316.354 -0.428 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000596133185 376072858 /nfs/dbraw/zinc/07/28/58/376072858.db2.gz WBDZILSFLAGPNP-ACJFNNECSA-N -1 0 318.395 -0.513 20 0 DBADRM COC(=O)[C@]1(NC(=O)c2ccc3oc(=O)nc-3[n-]2)CCOC1 ZINC000597369001 376130082 /nfs/dbraw/zinc/13/00/82/376130082.db2.gz HSTQCBUJOUZAHP-ZDUSSCGKSA-N -1 0 307.262 -0.010 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N(C)C[C@@H](C)c1nnn[n-]1)C(C)=O ZINC000597504467 376138981 /nfs/dbraw/zinc/13/89/81/376138981.db2.gz KWPCJOVDLMRAFQ-SCZZXKLOSA-N -1 0 311.342 -0.080 20 0 DBADRM COC(=O)CCN1CCN(C(=O)c2cc(=O)n(C)[n-]2)C[C@H]1C ZINC000597470220 376140104 /nfs/dbraw/zinc/14/01/04/376140104.db2.gz NIUXMNPYOBUZBJ-SNVBAGLBSA-N -1 0 310.354 -0.165 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597495144 376142822 /nfs/dbraw/zinc/14/28/22/376142822.db2.gz ALRHQGMWUFJSQN-IIYDVTGLSA-N -1 0 320.392 -0.464 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(=O)n(C)[n-]1 ZINC000597580641 376149609 /nfs/dbraw/zinc/14/96/09/376149609.db2.gz GBNMMRKBFVUTQD-HTQZYQBOSA-N -1 0 312.326 -0.688 20 0 DBADRM CO[C@](C)(C(=O)NCCc1nc(=O)o[n-]1)C(=O)OC(C)(C)C ZINC000597577647 376149704 /nfs/dbraw/zinc/14/97/04/376149704.db2.gz QZNMSOCSWWFWLN-CYBMUJFWSA-N -1 0 315.326 -0.232 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1cc(=O)n(C)[n-]1 ZINC000597783748 376176762 /nfs/dbraw/zinc/17/67/62/376176762.db2.gz OBPXWWQPGIIQOK-VIFPVBQESA-N -1 0 310.310 -0.981 20 0 DBADRM CO[C@](C)(C(=O)NCc1n[nH]c(=O)[n-]1)C(=O)OC(C)(C)C ZINC000597336381 376126187 /nfs/dbraw/zinc/12/61/87/376126187.db2.gz ITXWIXRSOGXVDW-GFCCVEGCSA-N -1 0 300.315 -0.127 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@@H](C)C(=O)[O-] ZINC000054334094 376212126 /nfs/dbraw/zinc/21/21/26/376212126.db2.gz SWZNXPRMXBLRTH-RKDXNWHRSA-N -1 0 308.356 -0.431 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000054334098 376213405 /nfs/dbraw/zinc/21/34/05/376213405.db2.gz BPPXUHRJZMDELM-ZJUUUORDSA-N -1 0 322.383 -0.183 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000054334095 376213552 /nfs/dbraw/zinc/21/35/52/376213552.db2.gz WLUQFSHPUAGASP-SECBINFHSA-N -1 0 322.383 -0.183 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000054505327 376227032 /nfs/dbraw/zinc/22/70/32/376227032.db2.gz DUYCRRAULHYHJI-UWVGGRQHSA-N -1 0 320.367 -0.289 20 0 DBADRM CCOC(=O)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599099715 376242896 /nfs/dbraw/zinc/24/28/96/376242896.db2.gz CMZQXCFMABNRCI-UHFFFAOYSA-N -1 0 301.324 -0.254 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C(=O)NCC2(C)C)on1 ZINC000599350532 376280965 /nfs/dbraw/zinc/28/09/65/376280965.db2.gz SZPWHVXEONDMBE-MRVPVSSYSA-N -1 0 317.323 -0.736 20 0 DBADRM CCN1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)no2)CC1=O ZINC000599320155 376281605 /nfs/dbraw/zinc/28/16/05/376281605.db2.gz CXFPMMPTURQPLN-ZETCQYMHSA-N -1 0 317.323 -0.640 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccnn2C)on1 ZINC000599209679 376257216 /nfs/dbraw/zinc/25/72/16/376257216.db2.gz BHNJQCVRAPQVQW-UHFFFAOYSA-N -1 0 300.296 -0.327 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCSCCCO)on1 ZINC000599245120 376258940 /nfs/dbraw/zinc/25/89/40/376258940.db2.gz PSULFOUINXAYLN-UHFFFAOYSA-N -1 0 324.380 -0.145 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H](OCC)C1CC1 ZINC000599283556 376262373 /nfs/dbraw/zinc/26/23/73/376262373.db2.gz YPPSHEBKWUGNLO-QWRGUYRKSA-N -1 0 309.384 -0.355 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)OC)C2CC2)on1 ZINC000599248186 376264870 /nfs/dbraw/zinc/26/48/70/376264870.db2.gz XPLKIRLHTORDHE-SECBINFHSA-N -1 0 318.307 -0.309 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C(=O)N(C)C)on1 ZINC000599253310 376264957 /nfs/dbraw/zinc/26/49/57/376264957.db2.gz HRCCNSSNMZWXST-ZCFIWIBFSA-N -1 0 305.312 -0.784 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C2(C(=O)OC)CCC2)on1 ZINC000599262899 376266695 /nfs/dbraw/zinc/26/66/95/376266695.db2.gz OKEBBNSRBMUIFE-UHFFFAOYSA-N -1 0 318.307 -0.165 20 0 DBADRM COC[C@@H](O)CC[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599268549 376268962 /nfs/dbraw/zinc/26/89/62/376268962.db2.gz GRDRUJIKIGMINZ-ZETCQYMHSA-N -1 0 308.312 -0.863 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C2(C)C)on1 ZINC000599281914 376270388 /nfs/dbraw/zinc/27/03/88/376270388.db2.gz XHPHQXWMFAZBQO-HTQZYQBOSA-N -1 0 304.324 -0.101 20 0 DBADRM CCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)no1)C(N)=O ZINC000599307028 376271994 /nfs/dbraw/zinc/27/19/94/376271994.db2.gz LEGHNALGGDHALY-LURJTMIESA-N -1 0 305.312 -0.607 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](CO)O2)on1 ZINC000599316478 376274732 /nfs/dbraw/zinc/27/47/32/376274732.db2.gz BEHSGLIMTMCWRY-SFYZADRCSA-N -1 0 320.323 -0.721 20 0 DBADRM CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1nnn[n-]1)C2=O ZINC000599334376 376282778 /nfs/dbraw/zinc/28/27/78/376282778.db2.gz JABQMOCSHNKOAF-UHFFFAOYSA-N -1 0 321.341 -0.683 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](O)C2)on1 ZINC000599289076 376276130 /nfs/dbraw/zinc/27/61/30/376276130.db2.gz QTBKFHJFGSIRLN-JGVFFNPUSA-N -1 0 304.324 -0.100 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)on1 ZINC000599289694 376277420 /nfs/dbraw/zinc/27/74/20/376277420.db2.gz IURWMGCBEBBKBK-RXMQYKEDSA-N -1 0 318.229 -0.337 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@]2(O)CCO[C@H]2C)on1 ZINC000599292704 376277568 /nfs/dbraw/zinc/27/75/68/376277568.db2.gz LDHNGWWHYBIECS-WRWORJQWSA-N -1 0 320.323 -0.721 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000599786540 376337859 /nfs/dbraw/zinc/33/78/59/376337859.db2.gz BUUNCCGSIRUPMT-BQBZGAKWSA-N -1 0 318.355 -0.287 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000599334196 376283282 /nfs/dbraw/zinc/28/32/82/376283282.db2.gz HJGITANNJNDWDS-LLVKDONJSA-N -1 0 300.322 -0.135 20 0 DBADRM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1nnn[n-]1 ZINC000599334640 376283795 /nfs/dbraw/zinc/28/37/95/376283795.db2.gz OFHLHOCWLPTMPK-RKDXNWHRSA-N -1 0 306.326 -0.619 20 0 DBADRM CN1C(=O)N(CC(=O)NCc2nnn[n-]2)C(=O)C12CCCCC2 ZINC000599334904 376285878 /nfs/dbraw/zinc/28/58/78/376285878.db2.gz XKFOFRPNRWNZPO-UHFFFAOYSA-N -1 0 321.341 -0.587 20 0 DBADRM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2COCCC2=O)CCC1 ZINC000599441721 376294262 /nfs/dbraw/zinc/29/42/62/376294262.db2.gz ISBOCIRSRTYEPW-SECBINFHSA-N -1 0 305.352 -0.393 20 0 DBADRM COC(=O)C1(CS(=O)(=O)[N-][C@H]2COCCC2=O)CCC1 ZINC000599441722 376294350 /nfs/dbraw/zinc/29/43/50/376294350.db2.gz ISBOCIRSRTYEPW-VIFPVBQESA-N -1 0 305.352 -0.393 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2COCCC2=O)on1 ZINC000599441703 376294735 /nfs/dbraw/zinc/29/47/35/376294735.db2.gz IEPOZPLJNGMCMD-ZETCQYMHSA-N -1 0 304.280 -0.903 20 0 DBADRM O=C([O-])C(=O)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000396647216 376385670 /nfs/dbraw/zinc/38/56/70/376385670.db2.gz MIAMWBWFYZQZDF-UHFFFAOYSA-N -1 0 316.317 -0.577 20 0 DBADRM CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)C(=O)[O-])CC1 ZINC000354987175 376531265 /nfs/dbraw/zinc/53/12/65/376531265.db2.gz ZTHXSAUQTYJPGR-SECBINFHSA-N -1 0 306.384 -0.020 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-][C@@H](CC(F)F)C(=O)OC)OC ZINC000603299223 376542835 /nfs/dbraw/zinc/54/28/35/376542835.db2.gz HYCNRJAKMFQKKP-SFYZADRCSA-N -1 0 319.326 -0.236 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-][C@H](CC(F)F)C(=O)OC)OC ZINC000603299221 376543711 /nfs/dbraw/zinc/54/37/11/376543711.db2.gz HYCNRJAKMFQKKP-HTQZYQBOSA-N -1 0 319.326 -0.236 20 0 DBADRM C[C@@H](C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1)S(C)(=O)=O ZINC000604082172 376598684 /nfs/dbraw/zinc/59/86/84/376598684.db2.gz UCJWLUOUHBWQRI-WCBMZHEXSA-N -1 0 309.351 -0.162 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC(C(=O)[O-])C2)C1 ZINC000071173292 376605314 /nfs/dbraw/zinc/60/53/14/376605314.db2.gz OJZKFOBIMXRIQZ-SECBINFHSA-N -1 0 320.367 -0.477 20 0 DBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NCc1nnn[n-]1 ZINC000603684294 376570703 /nfs/dbraw/zinc/57/07/03/376570703.db2.gz BBBLTWYXFQXQFO-UHFFFAOYSA-N -1 0 316.325 -0.337 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000071337471 376610151 /nfs/dbraw/zinc/61/01/51/376610151.db2.gz BMJXDGJYDZAGQN-AEJSXWLSSA-N -1 0 322.383 -0.185 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N(C)C ZINC000055311498 376618595 /nfs/dbraw/zinc/61/85/95/376618595.db2.gz VJLQJILSUWVGQE-UHFFFAOYSA-N -1 0 304.324 -0.005 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000319261792 376719387 /nfs/dbraw/zinc/71/93/87/376719387.db2.gz CVLQSPIBDSPDTF-ZUZCIYMTSA-N -1 0 310.350 -0.053 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000319261784 376721142 /nfs/dbraw/zinc/72/11/42/376721142.db2.gz CVLQSPIBDSPDTF-BMIGLBTASA-N -1 0 310.350 -0.053 20 0 DBADRM CCOc1ccc(OC)cc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000606116388 376727674 /nfs/dbraw/zinc/72/76/74/376727674.db2.gz CKUQOLMSVXHGLR-UHFFFAOYSA-N -1 0 320.309 -0.138 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000606116539 376727714 /nfs/dbraw/zinc/72/77/14/376727714.db2.gz DZMIVEZYURKYKK-UHFFFAOYSA-N -1 0 324.684 -0.163 20 0 DBADRM CCOc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1F ZINC000606116246 376727976 /nfs/dbraw/zinc/72/79/76/376727976.db2.gz FMURFKUSBMYZID-UHFFFAOYSA-N -1 0 308.273 -0.008 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc(F)c(F)c1F ZINC000606117235 376727998 /nfs/dbraw/zinc/72/79/98/376727998.db2.gz RNGAHLQPMSPPLG-UHFFFAOYSA-N -1 0 300.200 -0.128 20 0 DBADRM CCN1CCc2ccc(NC(=O)C(=O)NCc3nnn[n-]3)cc21 ZINC000606116458 376728073 /nfs/dbraw/zinc/72/80/73/376728073.db2.gz ZLWMFHRMJLDXAC-UHFFFAOYSA-N -1 0 315.337 -0.163 20 0 DBADRM C[C@H](Oc1cccnc1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000365323309 376703349 /nfs/dbraw/zinc/70/33/49/376703349.db2.gz CHBHEFQRXSUKDV-ONGXEEELSA-N -1 0 304.310 -0.038 20 0 DBADRM Cc1noc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC000038034392 376734639 /nfs/dbraw/zinc/73/46/39/376734639.db2.gz TXTBTAARTQZWNF-UHFFFAOYSA-N -1 0 304.328 -0.491 20 0 DBADRM O=C([O-])CCCNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000262214968 376785789 /nfs/dbraw/zinc/78/57/89/376785789.db2.gz YSGKVBRKIDGXMG-UHFFFAOYSA-N -1 0 313.335 -0.535 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000063142391 376808733 /nfs/dbraw/zinc/80/87/33/376808733.db2.gz LEVXEPAYVRQADD-UHFFFAOYSA-N -1 0 321.376 -0.151 20 0 DBADRM Cc1cc(C(=O)NCCn2cncn2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000337655046 376860802 /nfs/dbraw/zinc/86/08/02/376860802.db2.gz HGCWYMOKOUXTNR-UHFFFAOYSA-N -1 0 315.293 -0.234 20 0 DBADRM CNC(=O)CNC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000337653049 376861543 /nfs/dbraw/zinc/86/15/43/376861543.db2.gz FTNOTLOHXWUHNR-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC000262432992 376926607 /nfs/dbraw/zinc/92/66/07/376926607.db2.gz KLQCMWPOMPOVKV-NKWVEPMBSA-N -1 0 319.339 -0.452 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC000262432994 376926641 /nfs/dbraw/zinc/92/66/41/376926641.db2.gz KLQCMWPOMPOVKV-RNFRBKRXSA-N -1 0 319.339 -0.452 20 0 DBADRM COCc1nc(=NC(=O)c2cc(=O)[nH]c(N(C)C)n2)s[n-]1 ZINC000338802524 376977269 /nfs/dbraw/zinc/97/72/69/376977269.db2.gz RFCUFWYEKASTHG-UHFFFAOYSA-N -1 0 310.339 -0.080 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@](C)(O)CO ZINC000338634005 376949041 /nfs/dbraw/zinc/94/90/41/376949041.db2.gz MRWWIUWFBFEEHG-ZDUSSCGKSA-N -1 0 316.379 -0.079 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cncc(-n2ccnn2)c1 ZINC000338624484 376950605 /nfs/dbraw/zinc/95/06/05/376950605.db2.gz SAISGTWQFDDTTN-UHFFFAOYSA-N -1 0 301.266 -0.689 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000568003164 377031447 /nfs/dbraw/zinc/03/14/47/377031447.db2.gz YDRWGBSFBQDIQY-MMWGEVLESA-N -1 0 307.368 -0.037 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000262517031 376998440 /nfs/dbraw/zinc/99/84/40/376998440.db2.gz CXXRKUQBLYHXCK-LLVKDONJSA-N -1 0 313.354 -0.515 20 0 DBADRM Cc1cc(C(=O)N(C)CC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000263087459 377108475 /nfs/dbraw/zinc/10/84/75/377108475.db2.gz MIYYQSICAKSZHM-UHFFFAOYSA-N -1 0 320.305 -0.903 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000262995687 377108673 /nfs/dbraw/zinc/10/86/73/377108673.db2.gz OZUWXPYFTZTBEA-UHFFFAOYSA-N -1 0 303.340 -0.023 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)NCC1(C(=O)[O-])CCC1 ZINC000531751422 377080521 /nfs/dbraw/zinc/08/05/21/377080521.db2.gz LNZBWOOLEQMNNM-UHFFFAOYSA-N -1 0 304.368 -0.217 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC000262933578 377107152 /nfs/dbraw/zinc/10/71/52/377107152.db2.gz KHIQHRWHRCHZIJ-KXUCPTDWSA-N -1 0 305.352 -0.346 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@@H]2CCc3n[nH]cc3C2)n[nH]1 ZINC000339844979 377131353 /nfs/dbraw/zinc/13/13/53/377131353.db2.gz UAGUOMNGAGZDHG-SSDOTTSWSA-N -1 0 304.310 -0.013 20 0 DBADRM O=C(COc1ccccc1)NCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000263253523 377185933 /nfs/dbraw/zinc/18/59/33/377185933.db2.gz KFOCDOOQVCRKFD-GFCCVEGCSA-N -1 0 322.317 -0.506 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCCCC(=O)[O-])O1 ZINC000571400298 377218149 /nfs/dbraw/zinc/21/81/49/377218149.db2.gz LQURELFSWFSPAW-VHSXEESVSA-N -1 0 301.343 -0.214 20 0 DBADRM COC(=O)[C@@H]1c2ccccc2CCN1CC(=O)NCC(=O)[O-] ZINC000571449175 377226674 /nfs/dbraw/zinc/22/66/74/377226674.db2.gz CACYBPPBUOZAJF-AWEZNQCLSA-N -1 0 306.318 -0.040 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)Cn2cnc3ccccc3c2=O)CCOC1 ZINC000262226429 377268486 /nfs/dbraw/zinc/26/84/86/377268486.db2.gz USKUCVKGNKIDFC-OAHLLOKOSA-N -1 0 317.301 -0.244 20 0 DBADRM O=C([O-])[C@]1(NC(=O)CNC(=O)Cc2cccc(F)c2)CCOC1 ZINC000262185174 377268557 /nfs/dbraw/zinc/26/85/57/377268557.db2.gz PESGGSWLQWKBCK-HNNXBMFYSA-N -1 0 324.308 -0.156 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N[C@H](CCOC)C(=O)[O-] ZINC000262264693 377269448 /nfs/dbraw/zinc/26/94/48/377269448.db2.gz FPCVQVHRIFJRTP-BDAKNGLRSA-N -1 0 304.368 -0.096 20 0 DBADRM C[C@@H](O)CN(C(=O)C(=O)Nc1cccc(C(=O)[O-])c1)[C@H](C)CO ZINC000571522533 377251736 /nfs/dbraw/zinc/25/17/36/377251736.db2.gz CEMBYKLOPUOQKC-NXEZZACHSA-N -1 0 324.333 -0.087 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000571614041 377257241 /nfs/dbraw/zinc/25/72/41/377257241.db2.gz GZVPNQDVXYTHLK-VLEAKVRGSA-N -1 0 324.399 -0.456 20 0 DBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000261639369 377258720 /nfs/dbraw/zinc/25/87/20/377258720.db2.gz FZEOJWAZSKRWRE-UHFFFAOYSA-N -1 0 307.349 -0.157 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000263322764 377262659 /nfs/dbraw/zinc/26/26/59/377262659.db2.gz RTQTZBZRDXEJKA-SECBINFHSA-N -1 0 315.351 -0.366 20 0 DBADRM CN(CC(=O)N[C@H](C(=O)[O-])c1ccccc1)S(C)(=O)=O ZINC000262001531 377265703 /nfs/dbraw/zinc/26/57/03/377265703.db2.gz HHCKPWAGRJIKBF-NSHDSACASA-N -1 0 300.336 -0.180 20 0 DBADRM CC(C)[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(N)=O ZINC000264383442 377314484 /nfs/dbraw/zinc/31/44/84/377314484.db2.gz FUYAPNXVKKIOJT-QMMMGPOBSA-N -1 0 305.294 -0.324 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2cccn(C)c2=O)C[C@@H]1C(=O)[O-] ZINC000571642008 377332945 /nfs/dbraw/zinc/33/29/45/377332945.db2.gz DZALQLBWABQPDN-ZJUUUORDSA-N -1 0 321.333 -0.107 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)Nc2cccn(C)c2=O)C[C@@H]1C(=O)[O-] ZINC000571642006 377333222 /nfs/dbraw/zinc/33/32/22/377333222.db2.gz DZALQLBWABQPDN-UWVGGRQHSA-N -1 0 321.333 -0.107 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(CCOC)CC(=O)[O-])o1 ZINC000262426729 377276338 /nfs/dbraw/zinc/27/63/38/377276338.db2.gz RBXLLMJBNHKGBZ-UHFFFAOYSA-N -1 0 320.323 -0.639 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000262661796 377279038 /nfs/dbraw/zinc/27/90/38/377279038.db2.gz LYEHJWDKZBHCMQ-MRVPVSSYSA-N -1 0 304.310 -0.126 20 0 DBADRM O=C(CNC(=O)COc1ccccc1)N[C@]1(C(=O)[O-])CCOC1 ZINC000262990938 377280666 /nfs/dbraw/zinc/28/06/66/377280666.db2.gz SPFXCLQVDRNXTK-OAHLLOKOSA-N -1 0 322.317 -0.459 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000262943619 377280720 /nfs/dbraw/zinc/28/07/20/377280720.db2.gz QBZWBNRHNMHMMP-CQSZACIVSA-N -1 0 311.338 -0.066 20 0 DBADRM CO[C@@H](CNC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)[O-] ZINC000263065876 377280998 /nfs/dbraw/zinc/28/09/98/377280998.db2.gz IONRXGPBZDQIJS-QWRGUYRKSA-N -1 0 308.290 -0.008 20 0 DBADRM CO[C@@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-] ZINC000263039573 377282014 /nfs/dbraw/zinc/28/20/14/377282014.db2.gz DIUUCVGZSWOWAS-KOLCDFICSA-N -1 0 310.306 -0.156 20 0 DBADRM CO[C@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-] ZINC000263039569 377282062 /nfs/dbraw/zinc/28/20/62/377282062.db2.gz DIUUCVGZSWOWAS-GXSJLCMTSA-N -1 0 310.306 -0.156 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1cccc(=O)n1C)C(=O)[O-] ZINC000263236338 377283217 /nfs/dbraw/zinc/28/32/17/377283217.db2.gz CWRPNBPYOMTGJP-JTQLQIEISA-N -1 0 323.349 -0.269 20 0 DBADRM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NN2CC(=O)NC2=O)C1 ZINC000263640737 377286706 /nfs/dbraw/zinc/28/67/06/377286706.db2.gz ARKZOCRNIXWDTP-NXEZZACHSA-N -1 0 310.354 -0.146 20 0 DBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ncccc2O)CC1 ZINC000263648735 377286930 /nfs/dbraw/zinc/28/69/30/377286930.db2.gz FEKSOHHHLIJNRF-UHFFFAOYSA-N -1 0 320.349 -0.404 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@@H](C(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000268975766 377377862 /nfs/dbraw/zinc/37/78/62/377377862.db2.gz JKXJGISQNCRNQW-MVIFTORASA-N -1 0 307.306 -0.923 20 0 DBADRM CCC[C@](C)(NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000268958481 377378094 /nfs/dbraw/zinc/37/80/94/377378094.db2.gz WJFVYBPAGNPYOX-LFAOLKIESA-N -1 0 323.349 -0.143 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000269479490 377401347 /nfs/dbraw/zinc/40/13/47/377401347.db2.gz LBZWIABRJZRDBS-FGEFZZPRSA-N -1 0 323.349 -0.191 20 0 DBADRM CC(C)CO[N-]C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000269705617 377417130 /nfs/dbraw/zinc/41/71/30/377417130.db2.gz LVBBJBWJUKGLOZ-UHFFFAOYSA-N -1 0 318.355 -0.904 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000271688376 377503856 /nfs/dbraw/zinc/50/38/56/377503856.db2.gz DVGFHFYBNLENNT-MRVPVSSYSA-N -1 0 308.743 -0.312 20 0 DBADRM CC[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@@H](O)C(F)(F)F ZINC000270919037 377474128 /nfs/dbraw/zinc/47/41/28/377474128.db2.gz UPLTVSODKMECHK-RNFRBKRXSA-N -1 0 309.244 -0.083 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N1CCCc2cccc(O)c21 ZINC000270977742 377480233 /nfs/dbraw/zinc/48/02/33/377480233.db2.gz UWTPJDMGNBYQBT-UHFFFAOYSA-N -1 0 305.334 -0.076 20 0 DBADRM NC(=O)CO[N-]C(=O)CNC(=O)c1ccccc1OC(F)F ZINC000271428822 377496676 /nfs/dbraw/zinc/49/66/76/377496676.db2.gz RGYKZFHGCCDFRB-UHFFFAOYSA-N -1 0 317.248 -0.449 20 0 DBADRM CN1C(=O)C[C@H](C(=O)[N-]OCC(N)=O)[C@H]1c1ccc(F)cc1 ZINC000271457740 377496732 /nfs/dbraw/zinc/49/67/32/377496732.db2.gz WUUCLQFHRFXAQI-GXFFZTMASA-N -1 0 309.297 -0.122 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000340583873 296262179 /nfs/dbraw/zinc/26/21/79/296262179.db2.gz PKMPRFGOVFSTQV-ZCFIWIBFSA-N -1 0 303.278 -0.604 20 0 DBADRM O=C([O-])[C@H]1Cc2[nH]cnc2CN1S(=O)(=O)N1CCCC1 ZINC000092778467 304205628 /nfs/dbraw/zinc/20/56/28/304205628.db2.gz JFDNBFZWDJKIHE-SNVBAGLBSA-N -1 0 300.340 -0.438 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000276139726 377549400 /nfs/dbraw/zinc/54/94/00/377549400.db2.gz NTJWHTZWKIUJNZ-UHFFFAOYSA-N -1 0 322.321 -0.125 20 0 DBADRM O=C([O-])c1cn(CCNS(=O)(=O)C[C@@H]2CCCCO2)nn1 ZINC000277308788 377591970 /nfs/dbraw/zinc/59/19/70/377591970.db2.gz LMHFPUGDAIQKQT-VIFPVBQESA-N -1 0 318.355 -0.535 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000277287808 377589471 /nfs/dbraw/zinc/58/94/71/377589471.db2.gz ACFFAOYZBSNCAB-UHFFFAOYSA-N -1 0 323.371 -0.907 20 0 DBADRM COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000277282707 377589639 /nfs/dbraw/zinc/58/96/39/377589639.db2.gz PUEPPPCNXCSSLV-VIFPVBQESA-N -1 0 318.307 -0.411 20 0 DBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccco1 ZINC000277294199 377589670 /nfs/dbraw/zinc/58/96/70/377589670.db2.gz RETUYMURDYSCCS-HTQZYQBOSA-N -1 0 302.308 -0.381 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)C[C@H]1CCCCO1 ZINC000333650922 304207886 /nfs/dbraw/zinc/20/78/86/304207886.db2.gz YZNOVOMSCXGBQP-RKDXNWHRSA-N -1 0 310.310 -0.262 20 0 DBADRM CN(C)C(=O)NCCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000277467355 377596992 /nfs/dbraw/zinc/59/69/92/377596992.db2.gz YUWCCSMDTRHXOP-UHFFFAOYSA-N -1 0 312.292 -0.169 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1n[nH]c2ccccc12 ZINC000277618199 377602242 /nfs/dbraw/zinc/60/22/42/377602242.db2.gz MFQTVVYXTCMIPM-UHFFFAOYSA-N -1 0 324.362 -0.313 20 0 DBADRM COc1cccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1O ZINC000277647536 377604171 /nfs/dbraw/zinc/60/41/71/377604171.db2.gz NZQCDTAZGPSFQY-UHFFFAOYSA-N -1 0 316.335 -0.404 20 0 DBADRM CSc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccn1 ZINC000277804504 377607668 /nfs/dbraw/zinc/60/76/68/377607668.db2.gz XWCBNASIYFQMCL-UHFFFAOYSA-N -1 0 317.392 -0.001 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])cn1 ZINC000278736700 377632242 /nfs/dbraw/zinc/63/22/42/377632242.db2.gz PXRMAYCUSVAMLE-SCZZXKLOSA-N -1 0 303.340 -0.234 20 0 DBADRM Cc1cc2c(cc1S(=O)(=O)N[C@@H](CO)C(=O)[O-])OCO2 ZINC000279929538 377671365 /nfs/dbraw/zinc/67/13/65/377671365.db2.gz GATQIMCVALXBBX-ZETCQYMHSA-N -1 0 303.292 -0.552 20 0 DBADRM CCCC(=O)N1CSC[C@H]1C(=O)NCCc1nc(=O)o[n-]1 ZINC000279995529 377673147 /nfs/dbraw/zinc/67/31/47/377673147.db2.gz BCIKIZJZGBIMBO-QMMMGPOBSA-N -1 0 314.367 -0.277 20 0 DBADRM Cc1cc2c(cc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-])OCO2 ZINC000280032376 377673949 /nfs/dbraw/zinc/67/39/49/377673949.db2.gz PVDZUSDLZYTLFJ-QMMMGPOBSA-N -1 0 317.319 -0.162 20 0 DBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)NCCc1nc(=O)o[n-]1)CS2 ZINC000279999996 377674522 /nfs/dbraw/zinc/67/45/22/377674522.db2.gz BNPPXQSBQXVZMS-KRTXAFLBSA-N -1 0 312.351 -0.524 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)NCCc1nc(=O)o[n-]1 ZINC000280096753 377677139 /nfs/dbraw/zinc/67/71/39/377677139.db2.gz MAZRVWNLEATGBY-UHFFFAOYSA-N -1 0 320.305 -0.540 20 0 DBADRM C[C@@H](C(=O)NCCc1nc(=O)o[n-]1)n1nnnc1C(C)(C)C ZINC000280066067 377677221 /nfs/dbraw/zinc/67/72/21/377677221.db2.gz JADNJEYBPZDRHL-ZETCQYMHSA-N -1 0 309.330 -0.433 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)[N-]OC[C@H]2CCOC2)c(=O)c1 ZINC000280354698 377688035 /nfs/dbraw/zinc/68/80/35/377688035.db2.gz CAPAWIOGDVSTSV-WFASDCNBSA-N -1 0 310.350 -0.008 20 0 DBADRM COCC[C@H](CO)NS(=O)(=O)c1cccc2nonc21 ZINC000281197296 377721447 /nfs/dbraw/zinc/72/14/47/377721447.db2.gz BPSHIPSRVVESIZ-MRVPVSSYSA-N -1 0 301.324 -0.102 20 0 DBADRM COC(=O)CNC(=O)c1cccc(C(=O)NCC(=O)OC)c1[O-] ZINC000281208092 377723910 /nfs/dbraw/zinc/72/39/10/377723910.db2.gz QJRPGXCOAXXBQS-UHFFFAOYSA-N -1 0 324.289 -0.802 20 0 DBADRM COc1cncc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1 ZINC000281911937 377755507 /nfs/dbraw/zinc/75/55/07/377755507.db2.gz PVTBIKXOMKLEJC-SECBINFHSA-N -1 0 317.323 -0.913 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(C2CC2)n[nH]1 ZINC000281937292 377756843 /nfs/dbraw/zinc/75/68/43/377756843.db2.gz BVHQWXHBZJEQNS-UHFFFAOYSA-N -1 0 300.340 -0.517 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccc2n[nH]cc2c1 ZINC000282040271 377760456 /nfs/dbraw/zinc/76/04/56/377760456.db2.gz KYJHXCKQNXYVHO-UHFFFAOYSA-N -1 0 324.362 -0.313 20 0 DBADRM CO[C@H](C)CS(=O)(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000282153281 377764513 /nfs/dbraw/zinc/76/45/13/377764513.db2.gz FUJZCIPVKWAWQK-MRVPVSSYSA-N -1 0 313.339 -0.268 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc2nccn2c1 ZINC000282321656 377771862 /nfs/dbraw/zinc/77/18/62/377771862.db2.gz UUNINACLDNTPTN-UHFFFAOYSA-N -1 0 310.335 -0.470 20 0 DBADRM Cc1nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(C)s1 ZINC000282287552 377773021 /nfs/dbraw/zinc/77/30/21/377773021.db2.gz RBEVRAAIFMXFOS-UHFFFAOYSA-N -1 0 305.381 -0.044 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)NC[C@@H]1CCOC1 ZINC000290033669 377896372 /nfs/dbraw/zinc/89/63/72/377896372.db2.gz GBUIPJLONRAJBI-JTQLQIEISA-N -1 0 317.367 -0.278 20 0 DBADRM COCCCO[N-]C(=O)CNS(=O)(=O)c1cccnc1 ZINC000290909966 377916444 /nfs/dbraw/zinc/91/64/44/377916444.db2.gz MYTNEANDTPDAGB-UHFFFAOYSA-N -1 0 303.340 -0.556 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-] ZINC000290942002 377919179 /nfs/dbraw/zinc/91/91/79/377919179.db2.gz KWVWPAXGVDVMET-ZCFIWIBFSA-N -1 0 311.747 -0.159 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CC[C@H](O)C1 ZINC000291239574 377923694 /nfs/dbraw/zinc/92/36/94/377923694.db2.gz JEPXGWBBIDLOAW-VIFPVBQESA-N -1 0 303.340 -0.837 20 0 DBADRM COCC[C@H]1COCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000291328685 377924905 /nfs/dbraw/zinc/92/49/05/377924905.db2.gz ZSCCSFVUAIXEHP-QMMMGPOBSA-N -1 0 302.356 -0.546 20 0 DBADRM COCC[C@@H](NC(=O)CNC(=O)c1cccc(O)c1)C(=O)OC ZINC000291677615 377931088 /nfs/dbraw/zinc/93/10/88/377931088.db2.gz ZALFLRGTGQRKSZ-GFCCVEGCSA-N -1 0 324.333 -0.184 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)[N-]OC/C=C/Cl ZINC000291759349 377934532 /nfs/dbraw/zinc/93/45/32/377934532.db2.gz HRUCZCPLCMJDSD-DUXPYHPUSA-N -1 0 300.764 -0.257 20 0 DBADRM COC(=O)[C@H](CNS(=O)(=O)c1cccc(C(=O)[O-])c1)OC ZINC000291890166 377937819 /nfs/dbraw/zinc/93/78/19/377937819.db2.gz JNLWNLMXRRVGPH-JTQLQIEISA-N -1 0 317.319 -0.149 20 0 DBADRM COc1ncccc1CCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000292354007 377950283 /nfs/dbraw/zinc/95/02/83/377950283.db2.gz WPVRNHIKFARMFA-UHFFFAOYSA-N -1 0 309.351 -0.047 20 0 DBADRM CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)[N-]OCC(N)=O)C1 ZINC000290446704 377905216 /nfs/dbraw/zinc/90/52/16/377905216.db2.gz UHYOIWAKPSKQGR-SECBINFHSA-N -1 0 305.306 -0.276 20 0 DBADRM COc1ncnc(N(C)C)c1NC(=O)C(=O)[N-]OCC1CC1 ZINC000293239111 377966456 /nfs/dbraw/zinc/96/64/56/377966456.db2.gz DSPSTJCQRJRVJS-UHFFFAOYSA-N -1 0 309.326 -0.053 20 0 DBADRM CC[C@@H](C)CO[N-]C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000293734799 377975346 /nfs/dbraw/zinc/97/53/46/377975346.db2.gz NOKCZWJXWRPNEG-SECBINFHSA-N -1 0 304.372 -0.208 20 0 DBADRM Cn1cc([C@H]2[C@H](C(=O)[N-]OCC3CC3)OCC(=O)N2C)cn1 ZINC000293877820 377978517 /nfs/dbraw/zinc/97/85/17/377978517.db2.gz XJHNSMJKDZNEQO-QWHCGFSZSA-N -1 0 308.338 -0.224 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](C)CC(=O)[O-])cn1 ZINC000340452098 377985086 /nfs/dbraw/zinc/98/50/86/377985086.db2.gz SNKSXKVDKAJBJO-ZETCQYMHSA-N -1 0 305.312 -0.802 20 0 DBADRM C[C@@H]1CC(=O)N[C@H](C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)C1 ZINC000294960866 378002441 /nfs/dbraw/zinc/00/24/41/378002441.db2.gz QUGCFJDJRFHGNW-KWQFWETISA-N -1 0 316.321 -0.191 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nnn[n-]2)cc1 ZINC000044928751 378042375 /nfs/dbraw/zinc/04/23/75/378042375.db2.gz ZMVMMWFRGAUFTR-UHFFFAOYSA-N -1 0 310.339 -0.620 20 0 DBADRM O=C(CS(=O)(=O)c1nc2ccccc2[n-]1)N1CCNC(=O)C1 ZINC000299058535 378045244 /nfs/dbraw/zinc/04/52/44/378045244.db2.gz SDXWQSOCOKHCMP-UHFFFAOYSA-N -1 0 322.346 -0.705 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)NCC1(C(=O)[O-])CCC1 ZINC000532008333 378071381 /nfs/dbraw/zinc/07/13/81/378071381.db2.gz AWNYXQZEAAVTAW-UHFFFAOYSA-N -1 0 313.354 -0.610 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000328705931 378181423 /nfs/dbraw/zinc/18/14/23/378181423.db2.gz YWGGWQRCAOQDDK-QMMMGPOBSA-N -1 0 312.351 -0.191 20 0 DBADRM CC[C@H](O)CN1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000330713590 378257357 /nfs/dbraw/zinc/25/73/57/378257357.db2.gz RKRQNJCKSCSKQX-VIFPVBQESA-N -1 0 315.399 -0.483 20 0 DBADRM C[C@](O)(CNC(=O)CCn1c(=O)oc2ccccc21)C(=O)[O-] ZINC000349051066 378405126 /nfs/dbraw/zinc/40/51/26/378405126.db2.gz UUGLLNBZRTUXPH-AWEZNQCLSA-N -1 0 308.290 -0.064 20 0 DBADRM C[C@@H]1[C@H](C)OCCN1S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530154306 378443768 /nfs/dbraw/zinc/44/37/68/378443768.db2.gz LKNCYLUOTCMXNH-SFYZADRCSA-N -1 0 303.340 -0.084 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000035085366 378434127 /nfs/dbraw/zinc/43/41/27/378434127.db2.gz IPNAXVZQPVWZIN-UHFFFAOYSA-N -1 0 324.717 -0.042 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCn2ccnn2)cn1 ZINC000626433948 378434270 /nfs/dbraw/zinc/43/42/70/378434270.db2.gz KPDAXMZYRYZPAF-UHFFFAOYSA-N -1 0 324.366 -0.135 20 0 DBADRM CN(C(=O)CNS(=O)(=O)c1cccs1)[C@@H]1COC[C@H]1O ZINC000329387630 378479600 /nfs/dbraw/zinc/47/96/00/378479600.db2.gz QGFIKFLYKHHQQY-RKDXNWHRSA-N -1 0 320.392 -0.756 20 0 DBADRM C[C@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H](C)S1=O ZINC000329522035 378488631 /nfs/dbraw/zinc/48/86/31/378488631.db2.gz QYZDSCDPBWRHRR-BQBZGAKWSA-N -1 0 304.397 -0.030 20 0 DBADRM O=C(NC/C=C/CO)c1cccc(C(=O)NC/C=C/CO)c1[O-] ZINC000617683720 378553270 /nfs/dbraw/zinc/55/32/70/378553270.db2.gz HOPTYOODWPVOIO-ZPUQHVIOSA-N -1 0 320.345 -0.051 20 0 DBADRM O=C(CN1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-])NC1CCCC1 ZINC000333604967 378559569 /nfs/dbraw/zinc/55/95/69/378559569.db2.gz RASFEJLMQAMKHC-SECBINFHSA-N -1 0 309.326 -0.689 20 0 DBADRM CN1C[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C(=O)N1 ZINC000354482894 378733574 /nfs/dbraw/zinc/73/35/74/378733574.db2.gz ILJJGIGWELDAIP-JTQLQIEISA-N -1 0 319.296 -0.208 20 0 DBADRM CC(C)(NC(=O)c1ccc(CS(N)(=O)=O)cc1)c1nnn[n-]1 ZINC000354757713 378763276 /nfs/dbraw/zinc/76/32/76/378763276.db2.gz KFQKEUBMFPUGOF-UHFFFAOYSA-N -1 0 324.366 -0.347 20 0 DBADRM COC(=O)CN1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000355277650 378799785 /nfs/dbraw/zinc/79/97/85/378799785.db2.gz OKCCUBMEJAKPRL-UHFFFAOYSA-N -1 0 305.338 -0.687 20 0 DBADRM Cc1cc(S(=O)(=O)N(C)CC(N)=O)ccc1OCC(=O)[O-] ZINC000355404771 378813245 /nfs/dbraw/zinc/81/32/45/378813245.db2.gz RZWYRNYWQNKTDP-UHFFFAOYSA-N -1 0 316.335 -0.436 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)NCc2n[nH]c(=O)[n-]2)nn1 ZINC000355514348 378820186 /nfs/dbraw/zinc/82/01/86/378820186.db2.gz MQIWXJLTINOSSH-UHFFFAOYSA-N -1 0 307.314 -0.353 20 0 DBADRM CCC[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)c1nnn[n-]1 ZINC000356238903 378866582 /nfs/dbraw/zinc/86/65/82/378866582.db2.gz DKRAGCMOHRTMEW-ZETCQYMHSA-N -1 0 314.327 -0.289 20 0 DBADRM COCC[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000357378767 378939594 /nfs/dbraw/zinc/93/95/94/378939594.db2.gz AXGREGYGVNGPIX-LLVKDONJSA-N -1 0 320.305 -0.603 20 0 DBADRM O=C(Cn1nnc2ccccc2c1=O)NC1(c2nnn[n-]2)CC1 ZINC000357044144 378914796 /nfs/dbraw/zinc/91/47/96/378914796.db2.gz IHCHLIOFOPDUQE-UHFFFAOYSA-N -1 0 312.293 -0.890 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)c1cccnc1N1CCOCC1 ZINC000357054328 378916724 /nfs/dbraw/zinc/91/67/24/378916724.db2.gz LOSOLXJZGDTYQT-UHFFFAOYSA-N -1 0 315.337 -0.150 20 0 DBADRM NC(=O)c1ccc(OCC(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000357070972 378916827 /nfs/dbraw/zinc/91/68/27/378916827.db2.gz ORNWRUIRCQZHGY-UHFFFAOYSA-N -1 0 302.294 -0.517 20 0 DBADRM C[C@@H](C(=O)NC1(c2nnn[n-]2)CC1)n1nnnc1C(C)(C)C ZINC000357064442 378917160 /nfs/dbraw/zinc/91/71/60/378917160.db2.gz BNUKGGQPTJFTNB-ZETCQYMHSA-N -1 0 305.346 -0.150 20 0 DBADRM C[C@@H](CN(C)C(=O)CCS(=O)(=O)N(C)C)c1nnn[n-]1 ZINC000358397244 379036554 /nfs/dbraw/zinc/03/65/54/379036554.db2.gz WTXVNZKZULCSBU-QMMMGPOBSA-N -1 0 304.376 -0.957 20 0 DBADRM C[C@H](CN(C)C(=O)CCSc1nnnn1C)c1nnn[n-]1 ZINC000358375607 379033343 /nfs/dbraw/zinc/03/33/43/379033343.db2.gz HHSHJDPJIDGWOO-SSDOTTSWSA-N -1 0 311.375 -0.533 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H](O)C1CCCCC1 ZINC000643433035 379084924 /nfs/dbraw/zinc/08/49/24/379084924.db2.gz MDTCQMFJXVHEIS-WDEREUQCSA-N -1 0 319.379 -0.362 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)c2ccnn2C)C1=O ZINC000358711411 379077473 /nfs/dbraw/zinc/07/74/73/379077473.db2.gz GSRPPCXMWGALPE-GXSJLCMTSA-N -1 0 308.338 -0.140 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cnn(C)c2)C1=O ZINC000358701905 379077769 /nfs/dbraw/zinc/07/77/69/379077769.db2.gz ZCTMTYJNWJHGOE-WDEREUQCSA-N -1 0 308.338 -0.140 20 0 DBADRM O=C(C[C@H]1Oc2ccccc2NC1=O)NCc1n[nH]c(=O)[n-]1 ZINC000359264933 379144051 /nfs/dbraw/zinc/14/40/51/379144051.db2.gz CCAPVHIHDINYFD-SECBINFHSA-N -1 0 303.278 -0.084 20 0 DBADRM O=C(CNC(=O)c1ccccn1)NCCCc1n[nH]c(=O)[n-]1 ZINC000359523209 379172202 /nfs/dbraw/zinc/17/22/02/379172202.db2.gz HQRXJNCSHPVWDS-UHFFFAOYSA-N -1 0 304.310 -0.616 20 0 DBADRM CC(C)(NC(=O)CCn1nc2ccccn2c1=O)c1nnn[n-]1 ZINC000359800877 379200148 /nfs/dbraw/zinc/20/01/48/379200148.db2.gz QRNSGXKNKHMSAV-UHFFFAOYSA-N -1 0 316.325 -0.549 20 0 DBADRM CN1CCO[C@@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)C1 ZINC000359981049 379216076 /nfs/dbraw/zinc/21/60/76/379216076.db2.gz JYEXROLJZMRTTB-ZCFIWIBFSA-N -1 0 321.384 -0.821 20 0 DBADRM C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC000360409563 379263959 /nfs/dbraw/zinc/26/39/59/379263959.db2.gz YCIUZYZIAUCBBS-RYUDHWBXSA-N -1 0 311.382 -0.090 20 0 DBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)CCOC(C)C)C(=O)OC ZINC000360451647 379265858 /nfs/dbraw/zinc/26/58/58/379265858.db2.gz IIVFCQDIBYJZKY-SECBINFHSA-N -1 0 311.356 -0.565 20 0 DBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N(C)CC(=O)[O-])c1 ZINC000362406791 379434279 /nfs/dbraw/zinc/43/42/79/379434279.db2.gz ZTQKATXNVSHZTI-UHFFFAOYSA-N -1 0 303.340 -0.142 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000362575785 379448760 /nfs/dbraw/zinc/44/87/60/379448760.db2.gz LJRKNUWFQQXXDS-BDAKNGLRSA-N -1 0 300.336 -0.057 20 0 DBADRM Cc1cc(C)n2nc(CC(=O)N3CCOC[C@@H]3C(=O)[O-])nc2n1 ZINC000362697259 379462604 /nfs/dbraw/zinc/46/26/04/379462604.db2.gz ADERVYQBKIONDS-SNVBAGLBSA-N -1 0 319.321 -0.404 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1 ZINC000367501341 379509155 /nfs/dbraw/zinc/50/91/55/379509155.db2.gz XCHUFWFGRPBWHK-QMMMGPOBSA-N -1 0 316.326 -0.149 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000626464922 379603985 /nfs/dbraw/zinc/60/39/85/379603985.db2.gz IYJMKNFHCMVTMP-LLVKDONJSA-N -1 0 300.322 -0.022 20 0 DBADRM C[C@@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)N(C)CC(F)(F)F ZINC000369141602 379570233 /nfs/dbraw/zinc/57/02/33/379570233.db2.gz CSWZDYUWXKFAGJ-JGVFFNPUSA-N -1 0 322.291 -0.018 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)C[C@H]1C(=O)[O-] ZINC000582420713 379651222 /nfs/dbraw/zinc/65/12/22/379651222.db2.gz FYTHPFUHEZXTRA-MLGHIDQZSA-N -1 0 324.377 -0.215 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000390330613 379636129 /nfs/dbraw/zinc/63/61/29/379636129.db2.gz KGCFTZKQCPXZAK-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCc2cn(C)cn2)C[C@@H]1C(=O)[O-] ZINC000582360567 379640334 /nfs/dbraw/zinc/64/03/34/379640334.db2.gz UAXNCGCJTNSWMG-PWSUYJOCSA-N -1 0 322.365 -0.352 20 0 DBADRM CCOCCN(CC)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643457614 379688930 /nfs/dbraw/zinc/68/89/30/379688930.db2.gz QODLBTGJZGNEPN-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM CCN(Cc1ccoc1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643458418 379690050 /nfs/dbraw/zinc/69/00/50/379690050.db2.gz XSAAAIZLFRAAFP-NSHDSACASA-N -1 0 310.306 -0.060 20 0 DBADRM CN(CC1(O)CCCC1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643460397 379701174 /nfs/dbraw/zinc/70/11/74/379701174.db2.gz ZAFUXGOMBTXTOZ-SNVBAGLBSA-N -1 0 314.338 -0.938 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000377213159 379680156 /nfs/dbraw/zinc/68/01/56/379680156.db2.gz GYLMLEGUKHRNSJ-GWCFXTLKSA-N -1 0 318.395 -0.019 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000377116159 379680431 /nfs/dbraw/zinc/68/04/31/379680431.db2.gz RLGFARLUVMXWHJ-NWDGAFQWSA-N -1 0 317.411 -0.194 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCS1 ZINC000643460363 379702082 /nfs/dbraw/zinc/70/20/82/379702082.db2.gz WGZZDJJXSXLDDN-UWVGGRQHSA-N -1 0 316.379 -0.348 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C(F)F)CCO1 ZINC000643460770 379703452 /nfs/dbraw/zinc/70/34/52/379703452.db2.gz UPAKUPHRKOMIMG-BDAKNGLRSA-N -1 0 320.292 -0.055 20 0 DBADRM CC[C@@]1(CO)CCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643460797 379706660 /nfs/dbraw/zinc/70/66/60/379706660.db2.gz CJVNPAAJJCIUIN-YGRLFVJLSA-N -1 0 314.338 -0.938 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC000643461095 379709745 /nfs/dbraw/zinc/70/97/45/379709745.db2.gz QSHFLJLENNDUMN-IAQYHMDHSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H]1CSCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000643463773 379798525 /nfs/dbraw/zinc/79/85/25/379798525.db2.gz HLUAVAQAOAOPNZ-VHSXEESVSA-N -1 0 316.379 -0.490 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCOCCO)cn1 ZINC000623937800 379757415 /nfs/dbraw/zinc/75/74/15/379757415.db2.gz UKFAWBGBXZNZCN-UHFFFAOYSA-N -1 0 303.340 -0.808 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC[C@@H]1C ZINC000643461548 379760465 /nfs/dbraw/zinc/76/04/65/379760465.db2.gz SVQNKZZZIZGEIH-AXFHLTTASA-N -1 0 314.338 -0.818 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCCO1 ZINC000643461834 379762225 /nfs/dbraw/zinc/76/22/25/379762225.db2.gz SWKYXCBTRNWVFZ-QWRGUYRKSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000230103001 379868349 /nfs/dbraw/zinc/86/83/49/379868349.db2.gz QWXLHXXZSJLKKC-VIFPVBQESA-N -1 0 302.308 -0.837 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)CC[C@@H]2CCCO2)CCOC1 ZINC000610760159 379834814 /nfs/dbraw/zinc/83/48/14/379834814.db2.gz XSZOTOCAFXXLTN-CMPLNLGQSA-N -1 0 307.368 -0.193 20 0 DBADRM O=C(NCCN1CCCC1=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000584787121 379843294 /nfs/dbraw/zinc/84/32/94/379843294.db2.gz MCVKQOGLXUJTSL-UHFFFAOYSA-N -1 0 317.305 -0.212 20 0 DBADRM O=C([O-])[C@H]1CN(CC(=O)NC(=O)NCc2ccccc2)CCO1 ZINC000610897009 379859466 /nfs/dbraw/zinc/85/94/66/379859466.db2.gz SNJLPEMPXRYDLV-GFCCVEGCSA-N -1 0 321.333 -0.202 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000044352805 379869926 /nfs/dbraw/zinc/86/99/26/379869926.db2.gz QHDAHSHMRMLJRL-UHFFFAOYSA-N -1 0 316.335 -0.436 20 0 DBADRM Cc1noc(CCNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC000230952124 379869966 /nfs/dbraw/zinc/86/99/66/379869966.db2.gz WJYSGJZQAYKKKU-UHFFFAOYSA-N -1 0 300.296 -0.075 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])C1 ZINC000040396314 379861804 /nfs/dbraw/zinc/86/18/04/379861804.db2.gz LAGKXRQONZMIMM-DBIOUOCHSA-N -1 0 306.384 -0.271 20 0 DBADRM C[C@H](CN(C)C(=O)CSCC(=O)N1CCOCC1)C(=O)[O-] ZINC000042695273 379864950 /nfs/dbraw/zinc/86/49/50/379864950.db2.gz LDRCLLFMCBHSJA-SNVBAGLBSA-N -1 0 318.395 -0.243 20 0 DBADRM COC[C@H]1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000227828680 379866268 /nfs/dbraw/zinc/86/62/68/379866268.db2.gz SQKONKMSBBSJML-WDEREUQCSA-N -1 0 306.384 -0.004 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](C)C(=O)[O-])C1 ZINC000042462766 379866452 /nfs/dbraw/zinc/86/64/52/379866452.db2.gz LEBPFIAOSXFPHF-RKDXNWHRSA-N -1 0 308.356 -0.431 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000044618470 379867219 /nfs/dbraw/zinc/86/72/19/379867219.db2.gz CFJYIEJSTJWJNJ-MRVPVSSYSA-N -1 0 303.340 -0.392 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C3CC3)C2)CCO1 ZINC000643467251 379821616 /nfs/dbraw/zinc/82/16/16/379821616.db2.gz QPAQIJHCYSHVFR-RYUDHWBXSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(F)c3C2)CCO1 ZINC000643466709 379821879 /nfs/dbraw/zinc/82/18/79/379821879.db2.gz KERXLKJBNMWWEY-LBPRGKRZSA-N -1 0 322.292 -0.020 20 0 DBADRM CO[C@@]1(CO)CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC000617801105 379822720 /nfs/dbraw/zinc/82/27/20/379822720.db2.gz HGAQJWYZTYGVPS-NSHDSACASA-N -1 0 302.356 -0.398 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)[N-]c2cc(C(N)=O)[nH]n2)c1 ZINC000611164907 379925167 /nfs/dbraw/zinc/92/51/67/379925167.db2.gz WQQOIOIKBKMLBY-UHFFFAOYSA-N -1 0 314.279 -0.311 20 0 DBADRM CCOC(=O)C[C@H](C)CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000420568824 380064977 /nfs/dbraw/zinc/06/49/77/380064977.db2.gz XIIQVKGXSCMZKJ-UWVGGRQHSA-N -1 0 316.354 -0.129 20 0 DBADRM COC(=O)c1ccc(CCNC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000420531078 380065475 /nfs/dbraw/zinc/06/54/75/380065475.db2.gz GCZWFEYDEFRRKK-UHFFFAOYSA-N -1 0 322.317 -0.277 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC000420548656 380066362 /nfs/dbraw/zinc/06/63/62/380066362.db2.gz FCBWGRMGFHKPJP-RKDXNWHRSA-N -1 0 311.338 -0.955 20 0 DBADRM COC(=O)[C@]1(C)CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000420590201 380066499 /nfs/dbraw/zinc/06/64/99/380066499.db2.gz JWYMBQSNEOEXPX-CQSZACIVSA-N -1 0 314.338 -0.231 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC000420548646 380066971 /nfs/dbraw/zinc/06/69/71/380066971.db2.gz FCBWGRMGFHKPJP-BDAKNGLRSA-N -1 0 311.338 -0.955 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000420595551 380069001 /nfs/dbraw/zinc/06/90/01/380069001.db2.gz FLFSAVRRWBJTGP-UHFFFAOYSA-N -1 0 321.333 -0.368 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCN(c2ccccn2)CC1 ZINC000420572282 380070535 /nfs/dbraw/zinc/07/05/35/380070535.db2.gz BTROUIUJUACUCM-UHFFFAOYSA-N -1 0 320.349 -0.289 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])CC1=O ZINC000420573439 380071003 /nfs/dbraw/zinc/07/10/03/380071003.db2.gz ZSNTYPRGBYKFFK-OPRDCNLKSA-N -1 0 311.338 -0.955 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC000420696433 380074253 /nfs/dbraw/zinc/07/42/53/380074253.db2.gz YEZQQGLMIYBNPH-GHMZBOCLSA-N -1 0 311.400 -0.109 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000571881634 380123418 /nfs/dbraw/zinc/12/34/18/380123418.db2.gz VXZVKPPXWHHBMQ-SECBINFHSA-N -1 0 310.372 -0.879 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000571921273 380125921 /nfs/dbraw/zinc/12/59/21/380125921.db2.gz JMXQKCMGSBIUOV-KWQFWETISA-N -1 0 308.338 -0.096 20 0 DBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1(C(=O)OC)CCC1 ZINC000571968788 380127345 /nfs/dbraw/zinc/12/73/45/380127345.db2.gz NDYHBXGRRTYHNP-VIFPVBQESA-N -1 0 323.367 -0.309 20 0 DBADRM C[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H]1C(=O)[O-] ZINC000572120782 380133726 /nfs/dbraw/zinc/13/37/26/380133726.db2.gz AOOYZIYLKANJIY-BDAKNGLRSA-N -1 0 311.338 -0.114 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)[nH]n2)o1 ZINC000611497773 380172264 /nfs/dbraw/zinc/17/22/64/380172264.db2.gz CVQMNZMIASXOIK-UHFFFAOYSA-N -1 0 314.279 -0.311 20 0 DBADRM COC(=O)c1cn(C2CN(C(=O)c3n[nH]c(C)c3[O-])C2)nn1 ZINC000611529475 380173926 /nfs/dbraw/zinc/17/39/26/380173926.db2.gz RGRHTQOYEGNWKX-UHFFFAOYSA-N -1 0 306.282 -0.501 20 0 DBADRM COCCCCS(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000262358314 380185273 /nfs/dbraw/zinc/18/52/73/380185273.db2.gz CFWRQDFGBCZTOM-JTQLQIEISA-N -1 0 324.399 -0.346 20 0 DBADRM CC[C@](C)(O)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000611670220 380199022 /nfs/dbraw/zinc/19/90/22/380199022.db2.gz BVFACEQAVRCRLV-LBPRGKRZSA-N -1 0 302.352 -0.070 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000262727719 380199996 /nfs/dbraw/zinc/19/99/96/380199996.db2.gz GWPQYRUZIWRIRB-ONGXEEELSA-N -1 0 307.368 -0.194 20 0 DBADRM COCC1(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])CC1 ZINC000574993355 380257512 /nfs/dbraw/zinc/25/75/12/380257512.db2.gz PSYGEFYSNSIHKV-VHSXEESVSA-N -1 0 307.368 -0.035 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H](OC)C(=O)[O-])C1 ZINC000263100867 380209282 /nfs/dbraw/zinc/20/92/82/380209282.db2.gz OFXOADZYTIBRCX-NXEZZACHSA-N -1 0 322.383 -0.736 20 0 DBADRM COC[C@@H](C)CS(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000263499119 380217515 /nfs/dbraw/zinc/21/75/15/380217515.db2.gz SFIJZIYUHZTTDH-NXEZZACHSA-N -1 0 324.399 -0.490 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC000263553118 380218546 /nfs/dbraw/zinc/21/85/46/380218546.db2.gz MJAPXWMWVRUGEM-SECBINFHSA-N -1 0 322.383 -0.594 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1=O ZINC000422603740 380294444 /nfs/dbraw/zinc/29/44/44/380294444.db2.gz MPPXFQHYEJWMDA-QMMMGPOBSA-N -1 0 323.280 -0.191 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCOCC(F)F)C1 ZINC000422703469 380295675 /nfs/dbraw/zinc/29/56/75/380295675.db2.gz NEGZNORBVRKIGD-BDAKNGLRSA-N -1 0 322.308 -0.047 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000422699479 380295822 /nfs/dbraw/zinc/29/58/22/380295822.db2.gz AQUCPCQXRBAICV-IJLUTSLNSA-N -1 0 322.365 -0.043 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCOCC(F)F)C1 ZINC000422703470 380296049 /nfs/dbraw/zinc/29/60/49/380296049.db2.gz NEGZNORBVRKIGD-DTWKUNHWSA-N -1 0 322.308 -0.047 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC(C)(C)O)C1 ZINC000422817096 380297916 /nfs/dbraw/zinc/29/79/16/380297916.db2.gz CFZNZDBLZXKNEY-VHSXEESVSA-N -1 0 300.355 -0.215 20 0 DBADRM CCN(CC(C)(C)O)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000422815640 380298145 /nfs/dbraw/zinc/29/81/45/380298145.db2.gz CCMIQFVQEAKMJM-JTQLQIEISA-N -1 0 300.355 -0.071 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000422783151 380298330 /nfs/dbraw/zinc/29/83/30/380298330.db2.gz KRDXNEHNWMZWNE-UWVGGRQHSA-N -1 0 311.338 -0.811 20 0 DBADRM COCCCN(CCOC)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000422754142 380298569 /nfs/dbraw/zinc/29/85/69/380298569.db2.gz ADTRZEXJCOCZSR-LLVKDONJSA-N -1 0 316.354 -0.569 20 0 DBADRM C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422853398 380300654 /nfs/dbraw/zinc/30/06/54/380300654.db2.gz SGGBOONNROXXAK-KZTGVZKYSA-N -1 0 324.377 -0.071 20 0 DBADRM CCN1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@@H](C)C1=O ZINC000422844191 380300682 /nfs/dbraw/zinc/30/06/82/380300682.db2.gz LCRNHHGHEGOEMW-UWVGGRQHSA-N -1 0 313.354 -0.755 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000422838497 380300791 /nfs/dbraw/zinc/30/07/91/380300791.db2.gz OOTOOGVWJNXLHT-VWYCJHECSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C[C@H]1O ZINC000422863401 380302047 /nfs/dbraw/zinc/30/20/47/380302047.db2.gz OYPWOLALHWRDMT-AZKPJATDSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C[C@H]1O ZINC000422863409 380302158 /nfs/dbraw/zinc/30/21/58/380302158.db2.gz OYPWOLALHWRDMT-PVTKRXDGSA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000422929684 380303064 /nfs/dbraw/zinc/30/30/64/380303064.db2.gz RAUPYQJQJOXMQA-UEKVPHQBSA-N -1 0 312.366 -0.071 20 0 DBADRM COCCN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC000422880046 380303206 /nfs/dbraw/zinc/30/32/06/380303206.db2.gz NBZJLRIIDFSAHW-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(CC(C)(C)O)C2CC2)C[C@H]1C(=O)[O-] ZINC000422889780 380303381 /nfs/dbraw/zinc/30/33/81/380303381.db2.gz GTSVKHMQTMUHMS-MWLCHTKSSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@H](C)C[C@H](O)C2)C1 ZINC000422931104 380303984 /nfs/dbraw/zinc/30/39/84/380303984.db2.gz XARDQTVWFYDUSZ-KKOKHZNYSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](CF)C2)C1 ZINC000422931381 380304158 /nfs/dbraw/zinc/30/41/58/380304158.db2.gz XNSXMTVEEROYET-TVQRCGJNSA-N -1 0 302.302 -0.494 20 0 DBADRM CN(CC(C)(C)CO)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000422941677 380305953 /nfs/dbraw/zinc/30/59/53/380305953.db2.gz VIWSOHGVTAMYCD-AWEZNQCLSA-N -1 0 300.355 -0.214 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)CCO1 ZINC000626787000 380366475 /nfs/dbraw/zinc/36/64/75/380366475.db2.gz HTYJVNDCZULIGU-QWRGUYRKSA-N -1 0 311.338 -0.365 20 0 DBADRM CCOc1ccc(S(=O)(=O)NCCOCC(=O)[O-])cn1 ZINC000548587737 380367431 /nfs/dbraw/zinc/36/74/31/380367431.db2.gz BOZPEENTVBQVPM-UHFFFAOYSA-N -1 0 304.324 -0.140 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000044352804 380373091 /nfs/dbraw/zinc/37/30/91/380373091.db2.gz DWLJNVFZTGPKDT-UHFFFAOYSA-N -1 0 316.335 -0.187 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1=O ZINC000612280306 380383806 /nfs/dbraw/zinc/38/38/06/380383806.db2.gz YIZZPCVIUUIYML-IUCAKERBSA-N -1 0 316.383 -0.427 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H](CO)C1)C(=O)[O-] ZINC000424492938 380389364 /nfs/dbraw/zinc/38/93/64/380389364.db2.gz NLOJZTDAAFGCSX-WDEREUQCSA-N -1 0 300.355 -0.310 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424489953 380389614 /nfs/dbraw/zinc/38/96/14/380389614.db2.gz SQCPGIAFGCLYHS-ZJUUUORDSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H](CO)C1)C(=O)[O-] ZINC000424492932 380390092 /nfs/dbraw/zinc/39/00/92/380390092.db2.gz NLOJZTDAAFGCSX-GHMZBOCLSA-N -1 0 300.355 -0.310 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@@H](C)C[S@@](C)=O)C(=O)[O-] ZINC000424491221 380390138 /nfs/dbraw/zinc/39/01/38/380390138.db2.gz XHXZLYFGGDTTNQ-ASWVTFRLSA-N -1 0 320.411 -0.267 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NCCc1cnccn1)C(=O)[O-] ZINC000424493370 380390503 /nfs/dbraw/zinc/39/05/03/380390503.db2.gz CJHKHIHBULFPCI-UHFFFAOYSA-N -1 0 308.338 -0.248 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCNC(=O)[C@@H]1C)C(=O)[O-] ZINC000424497594 380392142 /nfs/dbraw/zinc/39/21/42/380392142.db2.gz VHUJDQYQOJKUAK-UWVGGRQHSA-N -1 0 313.354 -0.804 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NC[C@@H]1CCCC(=O)N1)C(=O)[O-] ZINC000424503722 380394222 /nfs/dbraw/zinc/39/42/22/380394222.db2.gz PRSWEZYERCQGCT-VIFPVBQESA-N -1 0 313.354 -0.612 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000626772959 380358967 /nfs/dbraw/zinc/35/89/67/380358967.db2.gz ZPRSCEJWZLOGSG-NXEZZACHSA-N -1 0 321.399 -0.322 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CCO[C@H](CC(N)=O)C1)C(=O)[O-] ZINC000626774650 380360865 /nfs/dbraw/zinc/36/08/65/380360865.db2.gz KWSSFUYCZINMGB-NXEZZACHSA-N -1 0 301.343 -0.371 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000612817995 380444868 /nfs/dbraw/zinc/44/48/68/380444868.db2.gz OMZXAOJQXGSKAT-RKDXNWHRSA-N -1 0 317.357 -0.870 20 0 DBADRM CC[C@H](CCO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612502624 380406614 /nfs/dbraw/zinc/40/66/14/380406614.db2.gz WPBHGFVZWRFXBH-MRVPVSSYSA-N -1 0 302.352 -0.070 20 0 DBADRM O=C(c1nn(-c2ccccc2F)cc1[O-])N1C[C@H](O)[C@@H](O)C1 ZINC000628525736 380456608 /nfs/dbraw/zinc/45/66/08/380456608.db2.gz UWKHVQYJOQYPQB-QWRGUYRKSA-N -1 0 307.281 -0.105 20 0 DBADRM CN1C(=O)CN(CC(=O)N=c2nc(C3(C)CC3)[n-]s2)C1=O ZINC000628540800 380515675 /nfs/dbraw/zinc/51/56/75/380515675.db2.gz VUSOWSZRLOBPLZ-UHFFFAOYSA-N -1 0 309.351 -0.156 20 0 DBADRM CC1(c2nc(=NC(=O)CCNS(C)(=O)=O)s[n-]2)CC1 ZINC000628539531 380516314 /nfs/dbraw/zinc/51/63/14/380516314.db2.gz AVCPGYTZFPJING-UHFFFAOYSA-N -1 0 304.397 -0.111 20 0 DBADRM Cc1nn(CC(=O)N=c2nc(C3(C)CC3)[n-]s2)c(=O)n1C ZINC000628540609 380516337 /nfs/dbraw/zinc/51/63/37/380516337.db2.gz JTUDYBFJGIBSCK-UHFFFAOYSA-N -1 0 308.367 -0.146 20 0 DBADRM NC(=O)N[C@@H]1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000613126251 380484266 /nfs/dbraw/zinc/48/42/66/380484266.db2.gz PPHNXJCUWHDZMH-SNVBAGLBSA-N -1 0 317.305 -0.087 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)c1[O-] ZINC000628576623 380528743 /nfs/dbraw/zinc/52/87/43/380528743.db2.gz DKHXTVODLMYPQE-HNNXBMFYSA-N -1 0 324.381 -0.231 20 0 DBADRM CCOC[C@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCO1 ZINC000628902820 380572099 /nfs/dbraw/zinc/57/20/99/380572099.db2.gz LIOYQQDKQDTRFC-MRVPVSSYSA-N -1 0 302.356 -0.134 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])cn1 ZINC000629337952 380630268 /nfs/dbraw/zinc/63/02/68/380630268.db2.gz HGOOZZRNPONSSX-KOLCDFICSA-N -1 0 317.367 -0.032 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])c1 ZINC000629337640 380630827 /nfs/dbraw/zinc/63/08/27/380630827.db2.gz AZJPNGOWCVILNB-VHSXEESVSA-N -1 0 317.367 -0.032 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])cn1 ZINC000629337953 380632013 /nfs/dbraw/zinc/63/20/13/380632013.db2.gz HGOOZZRNPONSSX-MWLCHTKSSA-N -1 0 317.367 -0.032 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])n1 ZINC000629340314 380633379 /nfs/dbraw/zinc/63/33/79/380633379.db2.gz MGCPTZXMPGJYLG-UWVGGRQHSA-N -1 0 317.367 -0.032 20 0 DBADRM Cn1cnn(CC(=O)N=c2nc(C3CCOCC3)[n-]s2)c1=O ZINC000629101957 380594813 /nfs/dbraw/zinc/59/48/13/380594813.db2.gz MCBYCFHMRNOXIR-UHFFFAOYSA-N -1 0 324.366 -0.612 20 0 DBADRM CCO[C@@H](CS(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])C1CC1 ZINC000629292463 380622375 /nfs/dbraw/zinc/62/23/75/380622375.db2.gz NABGZXYNVAJVKC-IUCAKERBSA-N -1 0 308.356 -0.951 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])n1C ZINC000629293221 380622442 /nfs/dbraw/zinc/62/24/42/380622442.db2.gz HDCJTPZBMJFYHC-VHSXEESVSA-N -1 0 317.367 -0.113 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)n1C ZINC000629294473 380623802 /nfs/dbraw/zinc/62/38/02/380623802.db2.gz YJBYOCCTSMUUFP-SCZZXKLOSA-N -1 0 303.340 -0.503 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CC(C)(C)OC[C@H]2C(=O)[O-])n1C ZINC000629305224 380623882 /nfs/dbraw/zinc/62/38/82/380623882.db2.gz YAWPJMDHPJRWJO-VIFPVBQESA-N -1 0 317.367 -0.019 20 0 DBADRM CCO[C@H](CS(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1)C1CC1 ZINC000629303081 380624126 /nfs/dbraw/zinc/62/41/26/380624126.db2.gz KEJCRUOXGLOOMD-PWSUYJOCSA-N -1 0 307.368 -0.035 20 0 DBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cnc(C)n1C ZINC000629303257 380624358 /nfs/dbraw/zinc/62/43/58/380624358.db2.gz HBZODXDIXOUDIY-MRVPVSSYSA-N -1 0 305.356 -0.161 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC000629305484 380625102 /nfs/dbraw/zinc/62/51/02/380625102.db2.gz UHNZDDQBZFEACW-RNFRBKRXSA-N -1 0 314.310 -0.413 20 0 DBADRM Cc1c(S(=O)(=O)NCc2ncc(C(=O)[O-])cn2)cnn1C ZINC000629313536 380625265 /nfs/dbraw/zinc/62/52/65/380625265.db2.gz BAHPLFPXBMJWJG-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2cn(C)cn2)[C@](C)(C(=O)[O-])C1 ZINC000629310403 380625293 /nfs/dbraw/zinc/62/52/93/380625293.db2.gz RPMNJONTOSHHAE-KCJUWKMLSA-N -1 0 303.340 -0.327 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cnn(C)c2C)[C@](C)(C(=O)[O-])C1 ZINC000629308317 380625626 /nfs/dbraw/zinc/62/56/26/380625626.db2.gz IJGSNFQEDGHVKG-CABZTGNLSA-N -1 0 317.367 -0.019 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cnnn2C)[C@](C)(C(=O)[O-])C1 ZINC000629308927 380626606 /nfs/dbraw/zinc/62/66/06/380626606.db2.gz YABTYOMCCJVMHU-XVKPBYJWSA-N -1 0 304.328 -0.932 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cn(C)c(C)n2)[C@](C)(C(=O)[O-])C1 ZINC000629310211 380626920 /nfs/dbraw/zinc/62/69/20/380626920.db2.gz PIEMPFWONDCHOY-CABZTGNLSA-N -1 0 317.367 -0.019 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)[C@@](C)(C(=O)[O-])C1 ZINC000629308548 380627748 /nfs/dbraw/zinc/62/77/48/380627748.db2.gz RQICYOLRBIKWSE-HOTUBEGUSA-N -1 0 322.383 -0.643 20 0 DBADRM CN(C)C(=O)N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000575078659 380677758 /nfs/dbraw/zinc/67/77/58/380677758.db2.gz AEJBKPGCGWWCBL-UHFFFAOYSA-N -1 0 318.321 -0.318 20 0 DBADRM CSc1nc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc(=O)[nH]1 ZINC000640656503 380680113 /nfs/dbraw/zinc/68/01/13/380680113.db2.gz QPDDXHMKYBRTBR-LLVKDONJSA-N -1 0 323.422 -0.090 20 0 DBADRM CC(C)(C)CNC(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000629490111 380649396 /nfs/dbraw/zinc/64/93/96/380649396.db2.gz HIRYXMZHCPEQHF-SECBINFHSA-N -1 0 306.384 -0.668 20 0 DBADRM CN(CCN1CCOCC1)S(=O)(=O)[N-]CC(F)(F)F ZINC000195210171 380713853 /nfs/dbraw/zinc/71/38/53/380713853.db2.gz AABAPKRNNPJTDB-UHFFFAOYSA-N -1 0 305.322 -0.353 20 0 DBADRM NC(=O)CCCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613231787 380715562 /nfs/dbraw/zinc/71/55/62/380715562.db2.gz KDWOOIXTBVLDPP-UHFFFAOYSA-N -1 0 315.351 -0.575 20 0 DBADRM C[C@@H]1CN(c2ccc(C(=O)NCCO)nn2)CC[C@H]1C(=O)[O-] ZINC000629768612 380717182 /nfs/dbraw/zinc/71/71/82/380717182.db2.gz KNFHGQXXAMPVJX-NXEZZACHSA-N -1 0 308.338 -0.254 20 0 DBADRM CCNC(=O)N1CC[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000195394423 380717270 /nfs/dbraw/zinc/71/72/70/380717270.db2.gz BXYOWCFMNHEGGP-ZETCQYMHSA-N -1 0 318.321 -0.224 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC(C(C)(C)O)C2)CC[C@@H]1C(=O)[O-] ZINC000629775091 380718653 /nfs/dbraw/zinc/71/86/53/380718653.db2.gz RSXAFNCKLJBMHT-KOLCDFICSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC(C(C)(C)O)C2)CC[C@@H]1C(=O)[O-] ZINC000629775093 380718688 /nfs/dbraw/zinc/71/86/88/380718688.db2.gz RSXAFNCKLJBMHT-ONGXEEELSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(O)C2)CC[C@@H]1C(=O)[O-] ZINC000629777544 380718733 /nfs/dbraw/zinc/71/87/33/380718733.db2.gz SKHBJFUSTHJHRQ-JRPNMDOOSA-N -1 0 312.366 -0.071 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)C1 ZINC000629781416 380719856 /nfs/dbraw/zinc/71/98/56/380719856.db2.gz MOQKCSIPHALWPZ-MQIPJXDCSA-N -1 0 324.377 -0.069 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C2CC2)CC[C@H]1C(=O)[O-] ZINC000629781443 380720394 /nfs/dbraw/zinc/72/03/94/380720394.db2.gz NVDBUIOPKGRJMX-YUSALJHKSA-N -1 0 312.366 -0.215 20 0 DBADRM CCOC[C@@H]1CN(C(=O)C(=O)N(C)CCC(=O)[O-])CCO1 ZINC000629782832 380721001 /nfs/dbraw/zinc/72/10/01/380721001.db2.gz IVGUVPFEWLQZAT-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCO[C@@H](CCF)C1)C(=O)[O-] ZINC000629782317 380721071 /nfs/dbraw/zinc/72/10/71/380721071.db2.gz UWXUBZXXLIIRAA-ZJUUUORDSA-N -1 0 304.318 -0.248 20 0 DBADRM COc1cc(CS(=O)(=O)[N-][C@@H]2COCCC2=O)sn1 ZINC000641632041 380955930 /nfs/dbraw/zinc/95/59/30/380955930.db2.gz KKQHNOWPOKQWGP-MRVPVSSYSA-N -1 0 306.365 -0.071 20 0 DBADRM OC[C@]1(CN=c2nc(C3CCOCC3)[n-]s2)COCCN1 ZINC000641690094 380965555 /nfs/dbraw/zinc/96/55/55/380965555.db2.gz UPLZNENWOYBIRB-CYBMUJFWSA-N -1 0 314.411 -0.383 20 0 DBADRM CN(C)C(=O)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000623531094 381016102 /nfs/dbraw/zinc/01/61/02/381016102.db2.gz GTEJVPAUZLDFJA-UHFFFAOYSA-N -1 0 300.340 -0.729 20 0 DBADRM NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)c1 ZINC000222496226 381070620 /nfs/dbraw/zinc/07/06/20/381070620.db2.gz RLICVFNNTAQXHG-UWVGGRQHSA-N -1 0 314.319 -0.095 20 0 DBADRM CN(CCCNC(=O)c1ccc(C(=O)[O-])cn1)S(C)(=O)=O ZINC000642276880 381073062 /nfs/dbraw/zinc/07/30/62/381073062.db2.gz KJDDLBKEHLREKA-UHFFFAOYSA-N -1 0 315.351 -0.209 20 0 DBADRM COc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c(OC)c1 ZINC000230066085 381099902 /nfs/dbraw/zinc/09/99/02/381099902.db2.gz TVFWATXNUMHERC-VIFPVBQESA-N -1 0 319.335 -0.182 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC000230064189 381100007 /nfs/dbraw/zinc/10/00/07/381100007.db2.gz MZPMRKYUWVCFKC-JTQLQIEISA-N -1 0 317.319 -0.413 20 0 DBADRM CC(C)NC(=O)CCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000053455778 381100588 /nfs/dbraw/zinc/10/05/88/381100588.db2.gz QLXZTYCOYDVDEG-UHFFFAOYSA-N -1 0 319.321 -0.332 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCN(C)C1=O ZINC000230953054 381103220 /nfs/dbraw/zinc/10/32/20/381103220.db2.gz WEWCDTWPRZXZLN-ZETCQYMHSA-N -1 0 302.308 -0.205 20 0 DBADRM NC(=O)COCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000230956312 381103963 /nfs/dbraw/zinc/10/39/63/381103963.db2.gz LWWWIQUTEVDJES-UHFFFAOYSA-N -1 0 302.308 -0.835 20 0 DBADRM Cc1cc(S(=O)(=O)NCCOCC(N)=O)sc1C(=O)[O-] ZINC000230956366 381104353 /nfs/dbraw/zinc/10/43/53/381104353.db2.gz NVVNNZWYQFHPDC-UHFFFAOYSA-N -1 0 322.364 -0.465 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)c1c[nH]nc1C)C(=O)[O-] ZINC000233691387 381115602 /nfs/dbraw/zinc/11/56/02/381115602.db2.gz GCKOVQBCCAMTSC-QMMMGPOBSA-N -1 0 319.339 -0.207 20 0 DBADRM CC(C)C[C@@H](CNC(=O)NCC(=O)N1CCOCC1)C(=O)[O-] ZINC000317028503 381150973 /nfs/dbraw/zinc/15/09/73/381150973.db2.gz MAYLKTKZGYVNJO-NSHDSACASA-N -1 0 315.370 -0.109 20 0 DBADRM CO[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCO1 ZINC000613819091 381196765 /nfs/dbraw/zinc/19/67/65/381196765.db2.gz GTAQFBQEXQIHTR-LLVKDONJSA-N -1 0 316.335 -0.516 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CC[C@@H](CO)[C@H](O)C1 ZINC000613907492 381205289 /nfs/dbraw/zinc/20/52/89/381205289.db2.gz NNEUXWTYLMYKFN-NWDGAFQWSA-N -1 0 319.317 -0.155 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCC2CC(O)C2)c1 ZINC000614021735 381215756 /nfs/dbraw/zinc/21/57/56/381215756.db2.gz WYZSPTYHRFCVSG-UHFFFAOYSA-N -1 0 314.363 -0.070 20 0 DBADRM CC(C)[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](O)C(F)(F)F ZINC000614473154 381258039 /nfs/dbraw/zinc/25/80/39/381258039.db2.gz SYSLGHAPTKQWPC-NJGYIYPDSA-N -1 0 310.232 -0.040 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614503977 381262854 /nfs/dbraw/zinc/26/28/54/381262854.db2.gz UHPNRPWSJHVKNT-VIFPVBQESA-N -1 0 312.399 -0.892 20 0 DBADRM O=C(CN1C(=O)Cc2ccccc21)NCCc1nc(=O)o[n-]1 ZINC000614172750 381233681 /nfs/dbraw/zinc/23/36/81/381233681.db2.gz SPZDKJIKXUSIBZ-UHFFFAOYSA-N -1 0 302.290 -0.389 20 0 DBADRM CC1(C)CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@H]1O ZINC000614213721 381237140 /nfs/dbraw/zinc/23/71/40/381237140.db2.gz FZZJPVUMGFDFBS-LLVKDONJSA-N -1 0 314.363 -0.118 20 0 DBADRM CC1(C)CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@@H]1O ZINC000614213723 381237534 /nfs/dbraw/zinc/23/75/34/381237534.db2.gz FZZJPVUMGFDFBS-NSHDSACASA-N -1 0 314.363 -0.118 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)CC[C@H]1CCCO1)C(=O)[O-] ZINC000614337896 381245694 /nfs/dbraw/zinc/24/56/94/381245694.db2.gz GNNHDULZXYGENC-ZJUUUORDSA-N -1 0 323.367 -0.119 20 0 DBADRM Cn1nccc1S(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000530140614 381292193 /nfs/dbraw/zinc/29/21/93/381292193.db2.gz HLIJAQWYVCZVNC-UHFFFAOYSA-N -1 0 316.383 -0.410 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000530143380 381292556 /nfs/dbraw/zinc/29/25/56/381292556.db2.gz VDJRNPGEPHJOHS-UHFFFAOYSA-N -1 0 305.400 -0.192 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000530148391 381293610 /nfs/dbraw/zinc/29/36/10/381293610.db2.gz FTVAQEAWWDZURK-SCZZXKLOSA-N -1 0 315.351 -0.082 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cn1C ZINC000530149521 381294020 /nfs/dbraw/zinc/29/40/20/381294020.db2.gz DBDPTFVFPJKUKQ-APPZFPTMSA-N -1 0 303.340 -0.409 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc3n2CCC3)C1 ZINC000530152034 381294102 /nfs/dbraw/zinc/29/41/02/381294102.db2.gz KAQKREXKHWENKO-GFCCVEGCSA-N -1 0 315.351 -0.307 20 0 DBADRM CC(C)[C@@](C)(O)CNS(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530154318 381295848 /nfs/dbraw/zinc/29/58/48/381295848.db2.gz LOWQWJJERXZKAF-NSHDSACASA-N -1 0 305.356 -0.196 20 0 DBADRM O=C([O-])c1ccc(N2CCN(S(=O)(=O)C3CC3)CC2)nn1 ZINC000530175282 381296034 /nfs/dbraw/zinc/29/60/34/381296034.db2.gz PXBWEKPUWGNGIS-UHFFFAOYSA-N -1 0 312.351 -0.211 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N[C@@H]1CCCOCC1 ZINC000530153779 381296068 /nfs/dbraw/zinc/29/60/68/381296068.db2.gz KTYYEJZQTDZNMI-MRVPVSSYSA-N -1 0 303.340 -0.034 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC000530154425 381296171 /nfs/dbraw/zinc/29/61/71/381296171.db2.gz TVHYHKGCOPZMNM-LLVKDONJSA-N -1 0 303.340 -0.233 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)[O-] ZINC000548770369 381276077 /nfs/dbraw/zinc/27/60/77/381276077.db2.gz ZWHIUJNWQCNTLC-VIFPVBQESA-N -1 0 303.340 -0.171 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC000630105148 381323496 /nfs/dbraw/zinc/32/34/96/381323496.db2.gz PVYIIDRGKODSBJ-UHFFFAOYSA-N -1 0 312.326 -0.808 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000630119508 381325234 /nfs/dbraw/zinc/32/52/34/381325234.db2.gz LDIICBJGWJCUDO-SNVBAGLBSA-N -1 0 313.335 -0.457 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1 ZINC000630118077 381325268 /nfs/dbraw/zinc/32/52/68/381325268.db2.gz BVYATUFTAJSHBN-JXUBOQSCSA-N -1 0 307.368 -0.244 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC000630119822 381325865 /nfs/dbraw/zinc/32/58/65/381325865.db2.gz WCKAOMUBIJFXSZ-MRVPVSSYSA-N -1 0 303.340 -0.527 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000630124278 381325904 /nfs/dbraw/zinc/32/59/04/381325904.db2.gz VWQCYLHXZPSYOU-UHFFFAOYSA-N -1 0 307.306 -0.291 20 0 DBADRM CC(=O)NCCc1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000614737008 381330934 /nfs/dbraw/zinc/33/09/34/381330934.db2.gz QQPRGEKHTXNPTC-UHFFFAOYSA-N -1 0 300.336 -0.272 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)cc1=O ZINC000614780326 381338429 /nfs/dbraw/zinc/33/84/29/381338429.db2.gz MGLSKINAOGSNFY-SECBINFHSA-N -1 0 316.383 -0.330 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)O[C@H]1C(=O)[O-] ZINC000630099793 381308933 /nfs/dbraw/zinc/30/89/33/381308933.db2.gz CPCUWRJUJPKFAD-ZYUZMQFOSA-N -1 0 305.352 -0.490 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCn2cccn2)CC[C@@H]1C(=O)[O-] ZINC000627265265 381346577 /nfs/dbraw/zinc/34/65/77/381346577.db2.gz GQKDKWBGAYUIFH-MNOVXSKESA-N -1 0 308.338 -0.432 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NCC(=O)NCC(F)(F)F)c1 ZINC000630164629 381351232 /nfs/dbraw/zinc/35/12/32/381351232.db2.gz JQAOEJRFPQZXHK-UHFFFAOYSA-N -1 0 308.216 -0.624 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000630163131 381352485 /nfs/dbraw/zinc/35/24/85/381352485.db2.gz GCGHIVFCUWHAHY-SCZZXKLOSA-N -1 0 319.321 -0.027 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000630281054 381378599 /nfs/dbraw/zinc/37/85/99/381378599.db2.gz DHLIONNZALCTPB-DCAQKATOSA-N -1 0 318.395 -0.020 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC000630207648 381364830 /nfs/dbraw/zinc/36/48/30/381364830.db2.gz SZLIVXROJZLOIT-ZDUSSCGKSA-N -1 0 305.294 -0.273 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CCc2occc2[C@H]1C(=O)[O-] ZINC000630237393 381368573 /nfs/dbraw/zinc/36/85/73/381368573.db2.gz JKDMKNWPEACOEN-NSHDSACASA-N -1 0 316.335 -0.319 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000630236185 381368762 /nfs/dbraw/zinc/36/87/62/381368762.db2.gz NSYJYZVNNXLIEI-UHFFFAOYSA-N -1 0 302.352 -0.512 20 0 DBADRM O=C([O-])[C@@H]1c2ccoc2CCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000630235910 381369619 /nfs/dbraw/zinc/36/96/19/381369619.db2.gz BFWBHUFBJSRHMK-WPRPVWTQSA-N -1 0 314.319 -0.518 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H]2CCC[C@@H]21 ZINC000630285668 381379302 /nfs/dbraw/zinc/37/93/02/381379302.db2.gz ROWOOWAKDKEKKX-CHWFTXMASA-N -1 0 316.379 -0.220 20 0 DBADRM O=C(CN1CSCC1=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000630280003 381379752 /nfs/dbraw/zinc/37/97/52/381379752.db2.gz PXSZVVGAPOFAEE-UWVGGRQHSA-N -1 0 316.379 -0.095 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000630269971 381379544 /nfs/dbraw/zinc/37/95/44/381379544.db2.gz FRSWJEIHOKEAEL-ZJUUUORDSA-N -1 0 307.368 -0.193 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC000630252684 381376708 /nfs/dbraw/zinc/37/67/08/381376708.db2.gz RVWKQROCLVWIQJ-NSHDSACASA-N -1 0 308.356 -0.984 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCCOCC(=O)[O-])c1 ZINC000630262442 381376912 /nfs/dbraw/zinc/37/69/12/381376912.db2.gz MYZAIBSIYMQDPE-UHFFFAOYSA-N -1 0 319.339 -0.904 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCOC1)NC(=O)[C@H]1CCCS1(=O)=O ZINC000630268542 381376993 /nfs/dbraw/zinc/37/69/93/381376993.db2.gz APYVVQBOPZOMAY-OUAUKWLOSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccnc3c2nnn3C)C[C@@H](C(=O)[O-])O1 ZINC000630263148 381377090 /nfs/dbraw/zinc/37/70/90/381377090.db2.gz JXIKMCMPQBEAFP-APPZFPTMSA-N -1 0 305.294 -0.323 20 0 DBADRM C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@@H](C(=O)[O-])O1 ZINC000630261499 381377385 /nfs/dbraw/zinc/37/73/85/381377385.db2.gz RUGBJDCHDPRELG-BDAKNGLRSA-N -1 0 305.352 -0.346 20 0 DBADRM O=C([O-])COCCNC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000630262456 381377563 /nfs/dbraw/zinc/37/75/63/381377563.db2.gz NEUPYWKFZCGWLY-LLVKDONJSA-N -1 0 308.290 -0.006 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)NCCOCC(=O)[O-])C1 ZINC000630263022 381377731 /nfs/dbraw/zinc/37/77/31/381377731.db2.gz SOXUXKCULXXQHT-JTQLQIEISA-N -1 0 322.383 -0.735 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000630257411 381377740 /nfs/dbraw/zinc/37/77/40/381377740.db2.gz VCEDTDYMBUTSBU-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM NC(=O)c1cccc(C(=O)NC2(c3nnn[n-]3)CCCC2)n1 ZINC000542894794 381405562 /nfs/dbraw/zinc/40/55/62/381405562.db2.gz HSGXAAJEFPFWSL-UHFFFAOYSA-N -1 0 301.310 -0.107 20 0 DBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000630443542 381417200 /nfs/dbraw/zinc/41/72/00/381417200.db2.gz YSNSZTJNJNYNFQ-ONGXEEELSA-N -1 0 316.379 -0.124 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000630268560 381379933 /nfs/dbraw/zinc/37/99/33/381379933.db2.gz ATXPKSOHVDMTQR-AEJSXWLSSA-N -1 0 320.367 -0.936 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N[C@@H]2CCN(C3CCC3)C2=O)c1 ZINC000630306616 381383339 /nfs/dbraw/zinc/38/33/39/381383339.db2.gz VDPMTRBXDULRBQ-LLVKDONJSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NCCCN2CCCS2(=O)=O)O1 ZINC000630304983 381383426 /nfs/dbraw/zinc/38/34/26/381383426.db2.gz DFBUTIURXZWSAU-VHSXEESVSA-N -1 0 320.367 -0.840 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@@]1(C)C(=O)[O-] ZINC000630305061 381383689 /nfs/dbraw/zinc/38/36/89/381383689.db2.gz PZMRDKGCSCGLBR-VDDIYKPWSA-N -1 0 304.368 -0.411 20 0 DBADRM COc1cncc(S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)c1 ZINC000541910359 381388206 /nfs/dbraw/zinc/38/82/06/381388206.db2.gz DYGNFPGHWYHWQR-SECBINFHSA-N -1 0 304.324 -0.142 20 0 DBADRM CO[C@@H]1CN(C(=O)CN2CSCC2=O)[C@@](C)(C(=O)[O-])C1 ZINC000630311792 381388321 /nfs/dbraw/zinc/38/83/21/381388321.db2.gz SJALRVZTMZFGKA-QPUJVOFHSA-N -1 0 302.352 -0.390 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)c2nc3ncccn3n2)CCCOC1 ZINC000630337677 381390036 /nfs/dbraw/zinc/39/00/36/381390036.db2.gz ARRAMZIQESYATK-ZDUSSCGKSA-N -1 0 305.294 -0.265 20 0 DBADRM CN1CC[C@H](C(=O)N2C3CCC2(C(=O)[O-])CC3)S1(=O)=O ZINC000630320930 381390299 /nfs/dbraw/zinc/39/02/99/381390299.db2.gz AWOYTYUXHWFJOE-NBBOBHDQSA-N -1 0 302.352 -0.372 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000630443536 381416345 /nfs/dbraw/zinc/41/63/45/381416345.db2.gz YSNSZTJNJNYNFQ-KOLCDFICSA-N -1 0 316.379 -0.124 20 0 DBADRM C[C@H](CN(C)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC000630444027 381416516 /nfs/dbraw/zinc/41/65/16/381416516.db2.gz RVYCXDZBOVCYIP-SCZZXKLOSA-N -1 0 304.368 -0.268 20 0 DBADRM CCCc1nc(=NC(=O)CN2C(=O)C(=O)N(C)C2=O)s[n-]1 ZINC000545259574 381436697 /nfs/dbraw/zinc/43/66/97/381436697.db2.gz OGPUSTKNHTUIFU-UHFFFAOYSA-N -1 0 311.323 -0.728 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCN(Cc2ccncc2)CC1 ZINC000630564482 381444095 /nfs/dbraw/zinc/44/40/95/381444095.db2.gz GCRGRLWKZWZESS-UHFFFAOYSA-N -1 0 301.354 -0.128 20 0 DBADRM C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000630574734 381447312 /nfs/dbraw/zinc/44/73/12/381447312.db2.gz SHBLCTKOIFFCPE-UONOGXRCSA-N -1 0 321.377 -0.242 20 0 DBADRM O=C([O-])CN(CC1CC1)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000630445967 381419344 /nfs/dbraw/zinc/41/93/44/381419344.db2.gz NKZWSZROWJAZPZ-NSHDSACASA-N -1 0 316.379 -0.124 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000630445954 381419354 /nfs/dbraw/zinc/41/93/54/381419354.db2.gz NBKGOOVSJCDXSC-VHSXEESVSA-N -1 0 304.368 -0.126 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)nc1C ZINC000547552736 381484944 /nfs/dbraw/zinc/48/49/44/381484944.db2.gz JZQQPXKQGKKOQG-KOLCDFICSA-N -1 0 317.367 -0.021 20 0 DBADRM O=C([C@@H]1CCCCS1(=O)=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000547485437 381480051 /nfs/dbraw/zinc/48/00/51/381480051.db2.gz CPSBRNYAJXRWJP-UWVGGRQHSA-N -1 0 313.383 -0.127 20 0 DBADRM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000134677526 381483498 /nfs/dbraw/zinc/48/34/98/381483498.db2.gz CDOSAPLOKSHXOP-LURJTMIESA-N -1 0 321.380 -0.267 20 0 DBADRM COC(=O)CCCS(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000547557233 381484531 /nfs/dbraw/zinc/48/45/31/381484531.db2.gz JDCZDTZZDABRRU-NXEZZACHSA-N -1 0 323.367 -0.261 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)C1 ZINC000547907540 381503677 /nfs/dbraw/zinc/50/36/77/381503677.db2.gz VBDIEWYKEXWUAU-QMMMGPOBSA-N -1 0 303.344 -0.961 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000547925189 381504045 /nfs/dbraw/zinc/50/40/45/381504045.db2.gz ROJWKDUZUBUDRQ-XHNCKOQMSA-N -1 0 308.356 -0.998 20 0 DBADRM CCCSC[C@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000547910753 381504086 /nfs/dbraw/zinc/50/40/86/381504086.db2.gz SDQNEYYKGJXOHY-VIFPVBQESA-N -1 0 312.413 -0.251 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CC1CCC1 ZINC000547930391 381504584 /nfs/dbraw/zinc/50/45/84/381504584.db2.gz HZGIHRYHUXHQSY-SECBINFHSA-N -1 0 311.381 -0.700 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)cn1 ZINC000547934502 381504712 /nfs/dbraw/zinc/50/47/12/381504712.db2.gz PQVWWDZHOBVOHL-SNVBAGLBSA-N -1 0 303.340 -0.329 20 0 DBADRM CCOCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000547919020 381504941 /nfs/dbraw/zinc/50/49/41/381504941.db2.gz UUEFPHAVLZSFTG-BDAKNGLRSA-N -1 0 308.356 -0.997 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-] ZINC000548221098 381520410 /nfs/dbraw/zinc/52/04/10/381520410.db2.gz PDTDNVMLXSHPEM-PSASIEDQSA-N -1 0 319.339 -0.778 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCCn2ccnn2)CC[C@@H]1C(=O)[O-] ZINC000627273088 381520427 /nfs/dbraw/zinc/52/04/27/381520427.db2.gz ZQWBAHKGTIEPCL-QWRGUYRKSA-N -1 0 323.353 -0.646 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000615063841 381505458 /nfs/dbraw/zinc/50/54/58/381505458.db2.gz OOTWZZZDABDWFZ-UHFFFAOYSA-N -1 0 314.323 -0.450 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cnn1C ZINC000627272406 381515715 /nfs/dbraw/zinc/51/57/15/381515715.db2.gz NOTLKEQKPGVISI-BXKDBHETSA-N -1 0 322.365 -0.086 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000548198423 381516993 /nfs/dbraw/zinc/51/69/93/381516993.db2.gz QJSHHEFPTNIGBE-WCBMZHEXSA-N -1 0 305.356 -0.250 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000548199422 381517223 /nfs/dbraw/zinc/51/72/23/381517223.db2.gz NRMHTJGXJCTUOO-VIFPVBQESA-N -1 0 310.372 -0.185 20 0 DBADRM CCOCCS(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000547573760 381486865 /nfs/dbraw/zinc/48/68/65/381486865.db2.gz ICGDVEKGPSHKMS-LLVKDONJSA-N -1 0 319.383 -0.381 20 0 DBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000547584178 381487087 /nfs/dbraw/zinc/48/70/87/381487087.db2.gz CWPDESGMOCELCB-GARJFASQSA-N -1 0 324.399 -0.502 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)OC)n(C)c1)C(=O)[O-] ZINC000547575303 381487161 /nfs/dbraw/zinc/48/71/61/381487161.db2.gz XNBJQPMBAYENGV-QMMMGPOBSA-N -1 0 320.323 -0.810 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCCNC1=O ZINC000134703365 381487265 /nfs/dbraw/zinc/48/72/65/381487265.db2.gz HEUNNEDOYFXNBX-ZCFIWIBFSA-N -1 0 319.364 -0.513 20 0 DBADRM CN(CC(C)(C)C(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000547603475 381488430 /nfs/dbraw/zinc/48/84/30/381488430.db2.gz GSNUAONYGHUYQY-UHFFFAOYSA-N -1 0 317.367 -0.145 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)CC3CC3)C2)C1 ZINC000547599048 381488592 /nfs/dbraw/zinc/48/85/92/381488592.db2.gz XMGLIQCBXKHSCJ-WDEREUQCSA-N -1 0 316.379 -0.266 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)CC1CCC1 ZINC000547598180 381488684 /nfs/dbraw/zinc/48/86/84/381488684.db2.gz WXJYJOKCGYNRPO-UWVGGRQHSA-N -1 0 304.368 -0.233 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000547601444 381488765 /nfs/dbraw/zinc/48/87/65/381488765.db2.gz JBDQGJXTWHZKML-VIFPVBQESA-N -1 0 303.340 -0.062 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)cn1C ZINC000548205468 381519718 /nfs/dbraw/zinc/51/97/18/381519718.db2.gz ZVPZFUKLIBUSSY-PSASIEDQSA-N -1 0 303.340 -0.503 20 0 DBADRM Cc1ccccc1CS(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000547874389 381499452 /nfs/dbraw/zinc/49/94/52/381499452.db2.gz BVIVFJPAIXDPAZ-JTQLQIEISA-N -1 0 300.336 -0.257 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])o1 ZINC000547876508 381499975 /nfs/dbraw/zinc/49/99/75/381499975.db2.gz CEFDRSQPNLKRAL-ZETCQYMHSA-N -1 0 321.307 -0.430 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547874611 381500172 /nfs/dbraw/zinc/50/01/72/381500172.db2.gz IPSGUQBHTMPUTD-VHSXEESVSA-N -1 0 317.367 -0.195 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1c(F)cccc1Cl ZINC000547868961 381500179 /nfs/dbraw/zinc/50/01/79/381500179.db2.gz BXLKTIHNFYHUBR-UHFFFAOYSA-N -1 0 324.717 -0.042 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000548202580 381520148 /nfs/dbraw/zinc/52/01/48/381520148.db2.gz FROYQHAOQBOXOP-SNVBAGLBSA-N -1 0 302.356 -0.418 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)CCC2CC2)C1 ZINC000547894736 381501460 /nfs/dbraw/zinc/50/14/60/381501460.db2.gz IARMDOHAXAZAMP-JTQLQIEISA-N -1 0 304.368 -0.361 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000547900494 381501782 /nfs/dbraw/zinc/50/17/82/381501782.db2.gz RJOQLMYXRQCXHO-MXWKQRLJSA-N -1 0 306.384 -0.222 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000547893523 381502771 /nfs/dbraw/zinc/50/27/71/381502771.db2.gz MMPKYPZJWPNXGF-JOYOIKCWSA-N -1 0 322.383 -0.041 20 0 DBADRM Cn1cc(C[C@@H](CNS(=O)(=O)c2c[nH]cn2)C(=O)[O-])cn1 ZINC000547902147 381502855 /nfs/dbraw/zinc/50/28/55/381502855.db2.gz PWMWAAXHXCZILF-VIFPVBQESA-N -1 0 313.339 -0.635 20 0 DBADRM CCN(CC)S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000548552346 381537292 /nfs/dbraw/zinc/53/72/92/381537292.db2.gz QETDLEKBMLEXRT-VIFPVBQESA-N -1 0 307.372 -0.904 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])cs1 ZINC000548541559 381537383 /nfs/dbraw/zinc/53/73/83/381537383.db2.gz HLCBTKKJWNTVSB-SSDOTTSWSA-N -1 0 323.348 -0.087 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000548543536 381537853 /nfs/dbraw/zinc/53/78/53/381537853.db2.gz PUYMQNHQHNZZFS-JTQLQIEISA-N -1 0 312.303 -0.748 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])c1 ZINC000548561461 381537935 /nfs/dbraw/zinc/53/79/35/381537935.db2.gz PBWQKOSWLHGIDE-VIFPVBQESA-N -1 0 317.367 -0.182 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N[C@H](COC)C(=O)[O-])c1C ZINC000548552030 381537987 /nfs/dbraw/zinc/53/79/87/381537987.db2.gz OZOOLPKMCZIRNI-SECBINFHSA-N -1 0 305.356 -0.102 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000548570481 381539381 /nfs/dbraw/zinc/53/93/81/381539381.db2.gz ZIJGMUIKPXFPOC-QWRGUYRKSA-N -1 0 324.399 -0.237 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@H](CC(=O)[O-])C1CCOCC1 ZINC000548569566 381539974 /nfs/dbraw/zinc/53/99/74/381539974.db2.gz FUAFKTSUFRLECL-SNVBAGLBSA-N -1 0 317.367 -0.032 20 0 DBADRM O=C([O-])Cn1cc(CNS(=O)(=O)CC2CCCC2)nn1 ZINC000548567037 381540060 /nfs/dbraw/zinc/54/00/60/381540060.db2.gz ZIEFIVFHUMOXJV-UHFFFAOYSA-N -1 0 302.356 -0.028 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000548585907 381541570 /nfs/dbraw/zinc/54/15/70/381541570.db2.gz URFKXUUTMFZUBZ-NIVTXAMTSA-N -1 0 310.397 -0.910 20 0 DBADRM CC(C)CCS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000548584708 381541758 /nfs/dbraw/zinc/54/17/58/381541758.db2.gz GNJSPEIRAIZTCM-SECBINFHSA-N -1 0 313.397 -0.454 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-] ZINC000548685599 381546236 /nfs/dbraw/zinc/54/62/36/381546236.db2.gz YRDPCASAPPWVGN-KWQFWETISA-N -1 0 311.356 -0.812 20 0 DBADRM O=C([O-])C[C@H](NS(=O)(=O)[C@H]1CCOC1)C1CCOCC1 ZINC000548239735 381521984 /nfs/dbraw/zinc/52/19/84/381521984.db2.gz QZDROJKJDCOQQB-QWRGUYRKSA-N -1 0 307.368 -0.035 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-] ZINC000548268991 381524053 /nfs/dbraw/zinc/52/40/53/381524053.db2.gz YTLZZBSAQDZKMP-SCZZXKLOSA-N -1 0 317.367 -0.135 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCCc2nc(=O)o[n-]2)C1 ZINC000548418721 381530598 /nfs/dbraw/zinc/53/05/98/381530598.db2.gz NURTXLSCDHSHSP-RKDXNWHRSA-N -1 0 304.372 -0.282 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000548527739 381535124 /nfs/dbraw/zinc/53/51/24/381535124.db2.gz ANNKUUUVUFNKKU-SNVBAGLBSA-N -1 0 304.372 -0.172 20 0 DBADRM CCCN(CC1CC1)S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000548534094 381535744 /nfs/dbraw/zinc/53/57/44/381535744.db2.gz GVVRLDSWMPIBKZ-SECBINFHSA-N -1 0 307.372 -0.729 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCCC1)[C@H]1CCc2nncn2C1 ZINC000550878317 381575598 /nfs/dbraw/zinc/57/55/98/381575598.db2.gz UZSIIOVNXYTCNJ-VIFPVBQESA-N -1 0 302.342 -0.061 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)C(=O)N(C)C ZINC000627273717 381553665 /nfs/dbraw/zinc/55/36/65/381553665.db2.gz JVDCCSMNRFJNRE-LPEHRKFASA-N -1 0 313.354 -0.852 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000250707720 381606043 /nfs/dbraw/zinc/60/60/43/381606043.db2.gz WZKJKMVCJULMEM-BDAKNGLRSA-N -1 0 309.340 -0.557 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1cccc2nsnc21 ZINC000090262703 381608455 /nfs/dbraw/zinc/60/84/55/381608455.db2.gz LBLBYVGNOKGDLY-LURJTMIESA-N -1 0 303.321 -0.585 20 0 DBADRM CN1CCC[C@@H](NC(=O)C(=O)NCCCCCC(=O)[O-])C1=O ZINC000627276517 381619610 /nfs/dbraw/zinc/61/96/10/381619610.db2.gz HQQSLICWXKNORU-SNVBAGLBSA-N -1 0 313.354 -0.515 20 0 DBADRM O=C([O-])Cn1cc(CNC(=O)[C@H]2Cc3ccccc3O2)nn1 ZINC000262365462 381625861 /nfs/dbraw/zinc/62/58/61/381625861.db2.gz WUZJXCVQPYLFRZ-GFCCVEGCSA-N -1 0 302.290 -0.017 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2CCC(=O)N2)c1 ZINC000619146639 381633156 /nfs/dbraw/zinc/63/31/56/381633156.db2.gz QRFITVGDNLZJSS-ZETCQYMHSA-N -1 0 313.335 -0.952 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1=O ZINC000566133103 381638613 /nfs/dbraw/zinc/63/86/13/381638613.db2.gz DXPYHYQBPGQOPC-SNVBAGLBSA-N -1 0 315.285 -0.553 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)Cc1cncc(O)c1 ZINC000566470115 381659222 /nfs/dbraw/zinc/65/92/22/381659222.db2.gz LDYHTEFPQAXSPC-UHFFFAOYSA-N -1 0 301.368 -0.226 20 0 DBADRM Cc1c(F)cc(S(=O)(=O)N2CCNC(=O)C2)cc1C(=O)[O-] ZINC000566566230 381663488 /nfs/dbraw/zinc/66/34/88/381663488.db2.gz ZZDWMPJECCECRF-UHFFFAOYSA-N -1 0 316.310 -0.047 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000567692596 381710239 /nfs/dbraw/zinc/71/02/39/381710239.db2.gz XZFLOCLMCHZEPA-PSASIEDQSA-N -1 0 305.356 -0.110 20 0 DBADRM CCc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1S(C)(=O)=O ZINC000157064016 381712585 /nfs/dbraw/zinc/71/25/85/381712585.db2.gz OIQWOKDCOCPMCX-UHFFFAOYSA-N -1 0 324.362 -0.006 20 0 DBADRM C[C@H](CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000567804653 381713201 /nfs/dbraw/zinc/71/32/01/381713201.db2.gz RXBNGPLSOLAKSG-MRVPVSSYSA-N -1 0 315.413 -0.160 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000566915227 381676097 /nfs/dbraw/zinc/67/60/97/381676097.db2.gz HSLYTESBIQWLBE-NXEZZACHSA-N -1 0 313.354 -0.802 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cnc(C(=O)[O-])cn2)O1 ZINC000567384946 381694365 /nfs/dbraw/zinc/69/43/65/381694365.db2.gz WGIHPPYQBSAPIL-KWQFWETISA-N -1 0 322.321 -0.460 20 0 DBADRM Cn1cc(CCNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])cn1 ZINC000567609644 381704563 /nfs/dbraw/zinc/70/45/63/381704563.db2.gz VCISQUKXNSFFKQ-JTQLQIEISA-N -1 0 302.356 -0.654 20 0 DBADRM CCN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@@H](C)CO ZINC000615372512 381729357 /nfs/dbraw/zinc/72/93/57/381729357.db2.gz ZRPJUHAVMHLANN-QMMMGPOBSA-N -1 0 302.352 -0.118 20 0 DBADRM CS(=O)(=O)N1CCCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC000567980509 381729602 /nfs/dbraw/zinc/72/96/02/381729602.db2.gz CJOSTTDCIWNBMT-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM CC[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)N1CCOCC1 ZINC000567988400 381729670 /nfs/dbraw/zinc/72/96/70/381729670.db2.gz CMFOKBVTXLCELJ-OUAUKWLOSA-N -1 0 314.338 -0.628 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-] ZINC000158600026 381747690 /nfs/dbraw/zinc/74/76/90/381747690.db2.gz CICPFHWDAIIZBU-SECBINFHSA-N -1 0 315.307 -0.766 20 0 DBADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000567881179 381723176 /nfs/dbraw/zinc/72/31/76/381723176.db2.gz UKBVKFPMSFSEOB-ZUNJMDCASA-N -1 0 304.368 -0.665 20 0 DBADRM CN1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CC1=O ZINC000569012924 381785762 /nfs/dbraw/zinc/78/57/62/381785762.db2.gz ODSQJLCTZZZYOJ-UHFFFAOYSA-N -1 0 311.338 -0.953 20 0 DBADRM Cc1c(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)cnn1C ZINC000569110106 381787716 /nfs/dbraw/zinc/78/77/16/381787716.db2.gz FFPNAHURRVSRKD-MWLCHTKSSA-N -1 0 317.367 -0.113 20 0 DBADRM O=C(NC[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cn[nH]n1 ZINC000569223713 381792051 /nfs/dbraw/zinc/79/20/51/381792051.db2.gz BFIXHPAEBNDVEK-MRVPVSSYSA-N -1 0 308.319 -0.231 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CCO1 ZINC000568507199 381762198 /nfs/dbraw/zinc/76/21/98/381762198.db2.gz LRRXAIPZTXFIRU-SECBINFHSA-N -1 0 316.335 -0.184 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](C(=O)[O-])C(C)C ZINC000568752581 381772797 /nfs/dbraw/zinc/77/27/97/381772797.db2.gz GLLRMTYTUGHOMB-ONGXEEELSA-N -1 0 313.354 -0.804 20 0 DBADRM CC(C)OC[C@@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])CCO1 ZINC000568865984 381776479 /nfs/dbraw/zinc/77/64/79/381776479.db2.gz CQKYONGJYJJDKE-NSHDSACASA-N -1 0 316.354 -0.380 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CN1CCNCC1=O ZINC000568869861 381777715 /nfs/dbraw/zinc/77/77/15/381777715.db2.gz BZPDZDSJQFSCJA-GFCCVEGCSA-N -1 0 305.334 -0.770 20 0 DBADRM C[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@@H]1C(=O)[O-] ZINC000573324787 381821850 /nfs/dbraw/zinc/82/18/50/381821850.db2.gz ZECCBKLHJYSTJU-BDAKNGLRSA-N -1 0 311.338 -0.114 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)CCNC(=O)NC(C)C)[n-]1 ZINC000573489339 381828784 /nfs/dbraw/zinc/82/87/84/381828784.db2.gz DHINBJHYRYMKAB-UHFFFAOYSA-N -1 0 318.355 -0.322 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2cccnn2)C[C@@H]1C(=O)[O-] ZINC000573564465 381832337 /nfs/dbraw/zinc/83/23/37/381832337.db2.gz JKXPOJSNSJMZLF-KOLCDFICSA-N -1 0 306.322 -0.338 20 0 DBADRM CNC(=O)c1cccc(OCC(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000573608208 381832885 /nfs/dbraw/zinc/83/28/85/381832885.db2.gz GANUXOJADXYPHN-CQSZACIVSA-N -1 0 310.306 -0.623 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@](C)(O)C2)C[C@H]1C(=O)[O-] ZINC000573683903 381836998 /nfs/dbraw/zinc/83/69/98/381836998.db2.gz MPYMKEWNHKIHIA-UEKVPHQBSA-N -1 0 312.366 -0.071 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)C2(CC(=O)[O-])CCC2)C1 ZINC000573806965 381841130 /nfs/dbraw/zinc/84/11/30/381841130.db2.gz UTKWOAOBASQSJK-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@H]1CN(C(=O)NCCCC(=O)[O-])CCN1S(C)(=O)=O ZINC000572876437 381803748 /nfs/dbraw/zinc/80/37/48/381803748.db2.gz FTRRPUSLVBVZMK-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC000165175016 381805777 /nfs/dbraw/zinc/80/57/77/381805777.db2.gz YFEODRHDTNAADG-SSDOTTSWSA-N -1 0 315.351 -0.535 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000574828570 381880631 /nfs/dbraw/zinc/88/06/31/381880631.db2.gz FDJJZJNPFVNQGF-SNVBAGLBSA-N -1 0 310.397 -0.319 20 0 DBADRM Cc1c(C(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)nnn1C ZINC000573982547 381846637 /nfs/dbraw/zinc/84/66/37/381846637.db2.gz QNGQYTLDFVKYCZ-ONGXEEELSA-N -1 0 323.353 -0.437 20 0 DBADRM Cc1sc(=O)n(CCC(=O)NCCc2nc(=O)o[n-]2)c1C ZINC000574029225 381846657 /nfs/dbraw/zinc/84/66/57/381846657.db2.gz ZOBYXDWISMFQGA-UHFFFAOYSA-N -1 0 312.351 -0.048 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)n1 ZINC000574154676 381853487 /nfs/dbraw/zinc/85/34/87/381853487.db2.gz LOYKMOWWKDOFEV-WPRPVWTQSA-N -1 0 303.340 -0.422 20 0 DBADRM CCCCN(C)S(=O)(=O)N[C@H](CCC(=O)OC)C(=O)[O-] ZINC000168817865 381856025 /nfs/dbraw/zinc/85/60/25/381856025.db2.gz AWOOKPCOAFITQU-SECBINFHSA-N -1 0 310.372 -0.041 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)[O-] ZINC000168821084 381857512 /nfs/dbraw/zinc/85/75/12/381857512.db2.gz MCGHZQMSUMHDGO-UWVGGRQHSA-N -1 0 322.383 -0.041 20 0 DBADRM CCCCN(C)S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)[O-] ZINC000168817781 381858386 /nfs/dbraw/zinc/85/83/86/381858386.db2.gz AWOOKPCOAFITQU-VIFPVBQESA-N -1 0 310.372 -0.041 20 0 DBADRM C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(F)c1)C(=O)[O-] ZINC000575181060 381886596 /nfs/dbraw/zinc/88/65/96/381886596.db2.gz NPEZXGFEJZWSQG-SSDOTTSWSA-N -1 0 304.299 -0.307 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CCOCC2)[C@@H](C(=O)[O-])CO1 ZINC000576597565 381929492 /nfs/dbraw/zinc/92/94/92/381929492.db2.gz BJFIKUBRINAUFY-SECBINFHSA-N -1 0 308.356 -0.873 20 0 DBADRM C[C@@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000575919906 381903621 /nfs/dbraw/zinc/90/36/21/381903621.db2.gz CSXOOXBEFOLYGB-SSDOTTSWSA-N -1 0 301.386 -0.408 20 0 DBADRM Cc1noc([C@H](C)NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC000575919942 381905629 /nfs/dbraw/zinc/90/56/29/381905629.db2.gz DYOKZIQYRSSXTR-XPUUQOCRSA-N -1 0 304.328 -0.178 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]1 ZINC000576255443 381917835 /nfs/dbraw/zinc/91/78/35/381917835.db2.gz VAYDSZQGZUFZSB-HTQZYQBOSA-N -1 0 317.371 -0.652 20 0 DBADRM COCCCS(=O)(=O)NCCN1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000576353073 381919566 /nfs/dbraw/zinc/91/95/66/381919566.db2.gz PDSVWUZOJLDUKE-MNOVXSKESA-N -1 0 324.399 -0.884 20 0 DBADRM COc1cccc(CS(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000576286516 381920545 /nfs/dbraw/zinc/92/05/45/381920545.db2.gz MLHGSORWCGQCTK-JTQLQIEISA-N -1 0 316.335 -0.557 20 0 DBADRM C[C@H]1C[C@H](C)CN(S(=O)(=O)NCCC(=O)NCC(=O)[O-])C1 ZINC000576459789 381925170 /nfs/dbraw/zinc/92/51/70/381925170.db2.gz XQKFOQYAXROPGR-UWVGGRQHSA-N -1 0 321.399 -0.610 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000576577629 381927650 /nfs/dbraw/zinc/92/76/50/381927650.db2.gz XSJDDXDYQNAQDT-VIFPVBQESA-N -1 0 313.339 -0.434 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)c2cnn3c2OCCC3)CCC1 ZINC000576515710 381928125 /nfs/dbraw/zinc/92/81/25/381928125.db2.gz QZULWGDPEBVPRV-UHFFFAOYSA-N -1 0 301.324 -0.049 20 0 DBADRM CSc1ccccc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000575405633 381893659 /nfs/dbraw/zinc/89/36/59/381893659.db2.gz ZQJTVJBNBLSIGK-UHFFFAOYSA-N -1 0 318.376 -0.112 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC000577570442 381964317 /nfs/dbraw/zinc/96/43/17/381964317.db2.gz GXLYEKYHEKXBSO-QMMMGPOBSA-N -1 0 303.344 -0.848 20 0 DBADRM C[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)[C@H](C)C(=O)[O-] ZINC000576751909 381933908 /nfs/dbraw/zinc/93/39/08/381933908.db2.gz RSKQPONWEHKMAA-JGVFFNPUSA-N -1 0 301.386 -0.550 20 0 DBADRM NS(=O)(=O)c1ccc(N[C@H]2CC[S@](=O)C2)c(C(=O)[O-])c1 ZINC000576758391 381934050 /nfs/dbraw/zinc/93/40/50/381934050.db2.gz OYTGGDQXTYTXFI-IIYDVTGLSA-N -1 0 318.376 -0.035 20 0 DBADRM CCOC(=O)c1cc(=NC(=O)c2cc(C)nc(NC)n2)[nH][n-]1 ZINC000576729319 381934421 /nfs/dbraw/zinc/93/44/21/381934421.db2.gz WJUNGEAGGOFBME-UHFFFAOYSA-N -1 0 304.310 -0.177 20 0 DBADRM CCc1ncc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])s1 ZINC000576815442 381937055 /nfs/dbraw/zinc/93/70/55/381937055.db2.gz PJPHTFOMUKWOKH-UHFFFAOYSA-N -1 0 321.380 -0.425 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cn(C)c(C)n1 ZINC000576820355 381937751 /nfs/dbraw/zinc/93/77/51/381937751.db2.gz SQLUUJHAKILENS-LLVKDONJSA-N -1 0 305.356 -0.113 20 0 DBADRM COC[C@H](NC(=O)NCc1nnc2n1CCCCC2)C(=O)[O-] ZINC000580551574 381943575 /nfs/dbraw/zinc/94/35/75/381943575.db2.gz STXLTXRVQMHHQB-VIFPVBQESA-N -1 0 311.342 -0.097 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])C[C@@H](C)O1 ZINC000578193423 382001880 /nfs/dbraw/zinc/00/18/80/382001880.db2.gz WPNHHDRSOVJJDT-NXEZZACHSA-N -1 0 302.327 -0.770 20 0 DBADRM CNC(=O)[C@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CCO1 ZINC000180587941 382011722 /nfs/dbraw/zinc/01/17/22/382011722.db2.gz ONDNUUXLDDGGBW-CYBMUJFWSA-N -1 0 317.349 -0.080 20 0 DBADRM NS(=O)(=O)CC1CCN(c2ncncc2C(=O)[O-])CC1 ZINC000577875062 381977898 /nfs/dbraw/zinc/97/78/98/381977898.db2.gz MEOBQLFYLLYIKQ-UHFFFAOYSA-N -1 0 300.340 -0.320 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(F)c1 ZINC000578936196 382043403 /nfs/dbraw/zinc/04/34/03/382043403.db2.gz YAZCCFZVCKCYFM-QMMMGPOBSA-N -1 0 321.282 -0.664 20 0 DBADRM CCOc1ccc(C(=O)NCC(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC000579122845 382050808 /nfs/dbraw/zinc/05/08/08/382050808.db2.gz ZKPGGKSGWMXTRI-OAHLLOKOSA-N -1 0 324.333 -0.233 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)Cc2nc[nH]n2)C[C@@H]1C(=O)[O-] ZINC000579239634 382055297 /nfs/dbraw/zinc/05/52/97/382055297.db2.gz HBIYJRJDBYYDLQ-IUCAKERBSA-N -1 0 309.326 -0.668 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)Cc2nc[nH]n2)C[C@H]1C(=O)[O-] ZINC000579239633 382056585 /nfs/dbraw/zinc/05/65/85/382056585.db2.gz HBIYJRJDBYYDLQ-DTWKUNHWSA-N -1 0 309.326 -0.668 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@@H]1CCCCO1)[C@H]1CCOC1 ZINC000579424401 382066949 /nfs/dbraw/zinc/06/69/49/382066949.db2.gz KBPVPPQJLFZUTA-GARJFASQSA-N -1 0 307.368 -0.035 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000578538239 382021074 /nfs/dbraw/zinc/02/10/74/382021074.db2.gz QUFBAJVTNFSOPO-KXUCPTDWSA-N -1 0 322.383 -0.738 20 0 DBADRM O=C([O-])CCCNC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000578623835 382025650 /nfs/dbraw/zinc/02/56/50/382025650.db2.gz PBUZYEODACBVFP-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000578631933 382026487 /nfs/dbraw/zinc/02/64/87/382026487.db2.gz FXVWJYZZSPRULS-IUCAKERBSA-N -1 0 310.372 -0.703 20 0 DBADRM O=C([O-])C[C@@H]1CN(S(=O)(=O)CC2CCOCC2)CCO1 ZINC000578745406 382031363 /nfs/dbraw/zinc/03/13/63/382031363.db2.gz SBWPMEXEDUKYLH-LLVKDONJSA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])C[C@H]1CN(S(=O)(=O)CC2CCOCC2)CCO1 ZINC000578745407 382032038 /nfs/dbraw/zinc/03/20/38/382032038.db2.gz SBWPMEXEDUKYLH-NSHDSACASA-N -1 0 307.368 -0.082 20 0 DBADRM CCN(C(=O)C(=O)NCCCC(=O)[O-])[C@@H](C)CS(C)(=O)=O ZINC000578892304 382038498 /nfs/dbraw/zinc/03/84/98/382038498.db2.gz PWUPIDARUFPEFY-VIFPVBQESA-N -1 0 322.383 -0.751 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CO)C2)C[C@H]1C(=O)[O-] ZINC000579957236 382104449 /nfs/dbraw/zinc/10/44/49/382104449.db2.gz GFSZNMFUMJCNOH-IJLUTSLNSA-N -1 0 312.366 -0.214 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCOCC3(CC3)C2)C1 ZINC000580827678 382115033 /nfs/dbraw/zinc/11/50/33/382115033.db2.gz CVULTJBLYDDZAK-NSHDSACASA-N -1 0 310.350 -0.051 20 0 DBADRM COC(=O)c1cn(CC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)nn1 ZINC000580956639 382122910 /nfs/dbraw/zinc/12/29/10/382122910.db2.gz DOMPRMWESPCUIK-IUCAKERBSA-N -1 0 310.310 -0.366 20 0 DBADRM C/C=C\C[C@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000579550400 382077148 /nfs/dbraw/zinc/07/71/48/382077148.db2.gz OSHNJMCSFCSDGE-ZMWSMAPVSA-N -1 0 304.368 -0.052 20 0 DBADRM CCN1CCO[C@@H](C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC000579597110 382078317 /nfs/dbraw/zinc/07/83/17/382078317.db2.gz YKOJNOYGRAAEDN-GHMZBOCLSA-N -1 0 309.370 -0.063 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000579668326 382083477 /nfs/dbraw/zinc/08/34/77/382083477.db2.gz ZDNTXGBUFQKOOH-GXSJLCMTSA-N -1 0 311.342 -0.154 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])cn1 ZINC000579903347 382100283 /nfs/dbraw/zinc/10/02/83/382100283.db2.gz DWPNLROQZMEPEB-VIFPVBQESA-N -1 0 300.292 -0.284 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC[C@@H]1O ZINC000579952643 382101826 /nfs/dbraw/zinc/10/18/26/382101826.db2.gz JARRPOUEPUXAEE-QCNOEVLYSA-N -1 0 312.366 -0.215 20 0 DBADRM CNS(=O)(=O)C1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC000581074589 382129549 /nfs/dbraw/zinc/12/95/49/382129549.db2.gz PRJWDKVJJLETDR-UHFFFAOYSA-N -1 0 300.340 -0.307 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1=O ZINC000386045851 382183296 /nfs/dbraw/zinc/18/32/96/382183296.db2.gz YURSSRSKDOMVEZ-SNVBAGLBSA-N -1 0 309.322 -0.740 20 0 DBADRM O=C(NC[C@H]1CCCOC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000194436754 382135493 /nfs/dbraw/zinc/13/54/93/382135493.db2.gz STHMSGFTHHTJAP-MRVPVSSYSA-N -1 0 304.306 -0.232 20 0 DBADRM Cc1c(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)cnn1C ZINC000381701062 382145258 /nfs/dbraw/zinc/14/52/58/382145258.db2.gz GSWDDHUFACMVMG-JTQLQIEISA-N -1 0 305.381 -0.033 20 0 DBADRM O=C([O-])[C@H](NC(=O)NCC1CCS(=O)(=O)CC1)C1CC1 ZINC000581407606 382145544 /nfs/dbraw/zinc/14/55/44/382145544.db2.gz VISYKBSJZIEKIC-SNVBAGLBSA-N -1 0 304.368 -0.026 20 0 DBADRM CC(C)(C)CS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000581433195 382147535 /nfs/dbraw/zinc/14/75/35/382147535.db2.gz YTTXPKQKABJOEP-MRVPVSSYSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@@H]1C[C@@H]1CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000581422612 382147751 /nfs/dbraw/zinc/14/77/51/382147751.db2.gz ZZQQGOZICPBMMX-RKDXNWHRSA-N -1 0 304.368 -0.026 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)C1 ZINC000581585780 382159170 /nfs/dbraw/zinc/15/91/70/382159170.db2.gz SYRQRYXCTAWXQS-NTZNESFSSA-N -1 0 318.395 -0.004 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)c2cnc3n2CCCC3)n[n-]1 ZINC000581642557 382162513 /nfs/dbraw/zinc/16/25/13/382162513.db2.gz BNAYIROKXNIETR-UHFFFAOYSA-N -1 0 310.339 -0.007 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCn3cnnc3C2)C[C@H]1C(=O)[O-] ZINC000581726618 382172262 /nfs/dbraw/zinc/17/22/62/382172262.db2.gz VRXSLCNOGLOKKY-NXEZZACHSA-N -1 0 321.337 -0.811 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cccc2cnccc21 ZINC000386552555 382194868 /nfs/dbraw/zinc/19/48/68/382194868.db2.gz FKGVEDKNCBRZFD-UHFFFAOYSA-N -1 0 323.330 -0.286 20 0 DBADRM COC(=O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000024476979 382196364 /nfs/dbraw/zinc/19/63/64/382196364.db2.gz CAJKMHNVEUCNKF-UHFFFAOYSA-N -1 0 322.289 -0.468 20 0 DBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H]1C(=O)[O-] ZINC000581980076 382198396 /nfs/dbraw/zinc/19/83/96/382198396.db2.gz ABDPTCRFSWQJTC-QMMMGPOBSA-N -1 0 319.360 -0.062 20 0 DBADRM Cc1cc(C(=O)N2CCOCCN2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000615492694 382202244 /nfs/dbraw/zinc/20/22/44/382202244.db2.gz DKIGBMURJJJGDA-UHFFFAOYSA-N -1 0 305.294 -0.279 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)CCO1 ZINC000627281159 382215312 /nfs/dbraw/zinc/21/53/12/382215312.db2.gz XFLLFUNFYWYJEL-WISYIIOYSA-N -1 0 310.350 -0.149 20 0 DBADRM CCC[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)OCC ZINC000627282191 382215504 /nfs/dbraw/zinc/21/55/04/382215504.db2.gz VNMWCXCCBYQBMI-WDEREUQCSA-N -1 0 316.354 -0.380 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccncc1 ZINC000627282413 382226454 /nfs/dbraw/zinc/22/64/54/382226454.db2.gz AUIGNBBZXASKPX-CMPLNLGQSA-N -1 0 321.333 -0.387 20 0 DBADRM CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@@H](C)O ZINC000615861317 382281835 /nfs/dbraw/zinc/28/18/35/382281835.db2.gz YFDVETICKJTGRR-XCBNKYQSSA-N -1 0 302.352 -0.071 20 0 DBADRM COC(=O)[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(C)C ZINC000063725647 382287299 /nfs/dbraw/zinc/28/72/99/382287299.db2.gz QIOULNKKIPEOCI-SECBINFHSA-N -1 0 320.305 -0.049 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000627283666 382245646 /nfs/dbraw/zinc/24/56/46/382245646.db2.gz HSTPEVDTACUBQR-RCZSTQMZSA-N -1 0 314.338 -0.774 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCCn2cncn2)C1 ZINC000627286320 382254112 /nfs/dbraw/zinc/25/41/12/382254112.db2.gz JSPWWIIIJNAGTK-MNOVXSKESA-N -1 0 323.353 -0.646 20 0 DBADRM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000615814994 382257058 /nfs/dbraw/zinc/25/70/58/382257058.db2.gz CWCQDBSNPMCEPY-FJXKBIBVSA-N -1 0 308.294 -0.304 20 0 DBADRM CNC(=O)CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000046455403 382263409 /nfs/dbraw/zinc/26/34/09/382263409.db2.gz MODXOOUOGGPKNP-UHFFFAOYSA-N -1 0 303.315 -0.327 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N=c1nc(CC(C)C)[n-]s1 ZINC000618346999 382359086 /nfs/dbraw/zinc/35/90/86/382359086.db2.gz NURSJLVWCJIKPR-UHFFFAOYSA-N -1 0 313.383 -0.651 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)N(C)C1CC1)C(=O)[O-] ZINC000618448387 382361256 /nfs/dbraw/zinc/36/12/56/382361256.db2.gz HCSJNAHMNGRTAR-VIFPVBQESA-N -1 0 308.356 -0.289 20 0 DBADRM Cn1nccc1[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)[O-] ZINC000402577615 382397261 /nfs/dbraw/zinc/39/72/61/382397261.db2.gz QWSPHRCDQRXWDS-JTQLQIEISA-N -1 0 308.254 -0.533 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CCC(=O)N2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000619140529 382380106 /nfs/dbraw/zinc/38/01/06/382380106.db2.gz DGCYXGSQZSVEIG-ZETCQYMHSA-N -1 0 317.305 -0.247 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H]2C(=O)[O-])C1 ZINC000400178335 382389643 /nfs/dbraw/zinc/38/96/43/382389643.db2.gz FVKWUNHJTFJQOZ-RKDXNWHRSA-N -1 0 305.356 -0.721 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)CC2(C(=O)[O-])CCC2)C1 ZINC000400109632 382389857 /nfs/dbraw/zinc/38/98/57/382389857.db2.gz FEWVFQAXKFLVMR-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC000400200005 382390141 /nfs/dbraw/zinc/39/01/41/382390141.db2.gz FAXXAWZZIOCSMV-RKDXNWHRSA-N -1 0 319.383 -0.333 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000400236314 382391725 /nfs/dbraw/zinc/39/17/25/382391725.db2.gz VADODTHYOZINSE-SSDOTTSWSA-N -1 0 302.308 -0.259 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c[nH]1 ZINC000619708792 382421142 /nfs/dbraw/zinc/42/11/42/382421142.db2.gz QINCAEUFRLNYAF-NSHDSACASA-N -1 0 318.307 -0.677 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c[nH]1 ZINC000619708791 382421530 /nfs/dbraw/zinc/42/15/30/382421530.db2.gz QINCAEUFRLNYAF-LLVKDONJSA-N -1 0 318.307 -0.677 20 0 DBADRM O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1n[nH]c(=O)[n-]c1=O ZINC000621005574 382461750 /nfs/dbraw/zinc/46/17/50/382461750.db2.gz JYBKSBHGMJJGLW-SECBINFHSA-N -1 0 321.337 -0.054 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]1CCCC2 ZINC000621616985 382492609 /nfs/dbraw/zinc/49/26/09/382492609.db2.gz HEPJVNFEPMMQBF-GIPNMCIBSA-N -1 0 316.379 -0.219 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000621605114 382492773 /nfs/dbraw/zinc/49/27/73/382492773.db2.gz VEDRDEJADDLVMY-SECBINFHSA-N -1 0 322.408 -0.702 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC000621607424 382493009 /nfs/dbraw/zinc/49/30/09/382493009.db2.gz UFOTUVZYBGEGJG-QMMMGPOBSA-N -1 0 310.397 -0.846 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)CN2CSCC2=O)C1 ZINC000621601164 382493024 /nfs/dbraw/zinc/49/30/24/382493024.db2.gz QGOYDIZWYYYSHV-QMMMGPOBSA-N -1 0 304.393 -0.205 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1ncc(C(=O)[O-])s1 ZINC000621611678 382493140 /nfs/dbraw/zinc/49/31/40/382493140.db2.gz JBCVTQBOGJUVMR-WDSKDSINSA-N -1 0 319.364 -0.290 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCCCC[C@H]2C(=O)[O-])nn1 ZINC000621567213 382489472 /nfs/dbraw/zinc/48/94/72/382489472.db2.gz NKLLDHMFKBVPKT-NSHDSACASA-N -1 0 323.353 -0.164 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCCCC[C@@H]2C(=O)[O-])S1(=O)=O ZINC000621570349 382490524 /nfs/dbraw/zinc/49/05/24/382490524.db2.gz URBVHCMPFYJKBB-ZJUUUORDSA-N -1 0 304.368 -0.124 20 0 DBADRM O=C([O-])CC1(CNC(=O)C2(n3cnnn3)CC2)CCOCC1 ZINC000621597208 382490834 /nfs/dbraw/zinc/49/08/34/382490834.db2.gz XOJHGUCKAHUZRK-UHFFFAOYSA-N -1 0 309.326 -0.450 20 0 DBADRM COCC(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000621593571 382491875 /nfs/dbraw/zinc/49/18/75/382491875.db2.gz BUYCWBDFCUATPT-UHFFFAOYSA-N -1 0 302.308 -0.366 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000621894501 382522002 /nfs/dbraw/zinc/52/20/02/382522002.db2.gz RQZOHLUMHSHBTK-UHFFFAOYSA-N -1 0 308.342 -0.541 20 0 DBADRM CCn1nccc1CCN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000621774649 382504932 /nfs/dbraw/zinc/50/49/32/382504932.db2.gz ZKXLOUKLTDLTSJ-NSHDSACASA-N -1 0 301.368 -0.371 20 0 DBADRM COc1ccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cn1 ZINC000621774599 382505498 /nfs/dbraw/zinc/50/54/98/382505498.db2.gz YIIFVZRGWLLTAB-SNVBAGLBSA-N -1 0 300.336 -0.226 20 0 DBADRM Cn1nccc1S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-] ZINC000312868978 382511324 /nfs/dbraw/zinc/51/13/24/382511324.db2.gz ZQQUTMQBYRKRCT-QMMMGPOBSA-N -1 0 305.356 -0.033 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)N1CC(C(=O)[O-])C1)CC2 ZINC000621831518 382511389 /nfs/dbraw/zinc/51/13/89/382511389.db2.gz ITVIWHYLBNKUQB-SECBINFHSA-N -1 0 309.326 -0.535 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)N2CC(C(=O)[O-])C2)CC1 ZINC000621829316 382511592 /nfs/dbraw/zinc/51/15/92/382511592.db2.gz QSNICDITHDXJJG-UHFFFAOYSA-N -1 0 319.383 -0.474 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CC(C(=O)[O-])C1 ZINC000621834482 382512522 /nfs/dbraw/zinc/51/25/22/382512522.db2.gz KNGOWSWVPWIGHL-PSASIEDQSA-N -1 0 319.383 -0.570 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C[C@@H]1CO ZINC000621835462 382512613 /nfs/dbraw/zinc/51/26/13/382512613.db2.gz AUVCRPFMPHZYDZ-GHMZBOCLSA-N -1 0 312.366 -0.166 20 0 DBADRM CC1CC(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000621836430 382513855 /nfs/dbraw/zinc/51/38/55/382513855.db2.gz IGIYQCCQMOIKLQ-YURZUXJASA-N -1 0 310.350 -0.292 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C[C@H]1CO ZINC000622045854 382540471 /nfs/dbraw/zinc/54/04/71/382540471.db2.gz AELWUWUNIKXESR-PWSUYJOCSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@H](C)[C@H](CO)C1)C(=O)[O-] ZINC000622046102 382540537 /nfs/dbraw/zinc/54/05/37/382540537.db2.gz ISGGCKQZTHRJEN-AXFHLTTASA-N -1 0 300.355 -0.358 20 0 DBADRM O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1n[nH]c(=O)[n-]1 ZINC000079622313 382540581 /nfs/dbraw/zinc/54/05/81/382540581.db2.gz CRVHUIDRRBCUHB-GFCCVEGCSA-N -1 0 317.349 -0.099 20 0 DBADRM O=C(N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1n[nH]c(=O)[n-]1 ZINC000622177844 382552906 /nfs/dbraw/zinc/55/29/06/382552906.db2.gz GSOPFOYMMZGXBA-NXEZZACHSA-N -1 0 307.354 -0.117 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)c2n[nH]c(=O)[n-]2)CCCCC1 ZINC000622170897 382553137 /nfs/dbraw/zinc/55/31/37/382553137.db2.gz RPPZSVVRVWHSLW-UHFFFAOYSA-N -1 0 302.356 -0.012 20 0 DBADRM CC(C)(NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(N)=O ZINC000624524611 382614289 /nfs/dbraw/zinc/61/42/89/382614289.db2.gz VPFPLGGLSFOBEI-UHFFFAOYSA-N -1 0 300.340 -0.553 20 0 DBADRM CN(C(=O)c1nc(=O)[nH][n-]1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000131356256 382620944 /nfs/dbraw/zinc/62/09/44/382620944.db2.gz HZUOREQDUHTSIJ-SNVBAGLBSA-N -1 0 301.306 -0.025 20 0 DBADRM CC(=O)NCCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000623796740 382578826 /nfs/dbraw/zinc/57/88/26/382578826.db2.gz MDAIGHJLLZRJTK-UHFFFAOYSA-N -1 0 314.367 -0.291 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCC2(C(=O)[O-])CCC2)CCO1 ZINC000133389672 382642833 /nfs/dbraw/zinc/64/28/33/382642833.db2.gz IIETUKKOSMBXRG-SECBINFHSA-N -1 0 300.311 -0.175 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCO1 ZINC000133349918 382643000 /nfs/dbraw/zinc/64/30/00/382643000.db2.gz NLGHBNUAHUAAMQ-AEJSXWLSSA-N -1 0 300.311 -0.177 20 0 DBADRM O=C(CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1)N1CCCO1 ZINC000627892091 382644709 /nfs/dbraw/zinc/64/47/09/382644709.db2.gz DKJXBUMOMQMOGD-UHFFFAOYSA-N -1 0 318.289 -0.076 20 0 DBADRM O=S(=O)(c1cc([O-])cc(F)c1)N1CCN(CCO)CC1 ZINC000631677551 382649700 /nfs/dbraw/zinc/64/97/00/382649700.db2.gz AUVRYVUVSWZLBE-UHFFFAOYSA-N -1 0 304.343 -0.170 20 0 DBADRM O=C(NCC1CC1)[C@@H]1CSCN1S(=O)(=O)c1ncc[n-]1 ZINC000631854264 382652441 /nfs/dbraw/zinc/65/24/41/382652441.db2.gz SZESKOAZHUNGJX-VIFPVBQESA-N -1 0 316.408 -0.001 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCN(c2ncc(F)cn2)CC1 ZINC000632210469 382664236 /nfs/dbraw/zinc/66/42/36/382664236.db2.gz HOQZHNXDIHWIQI-UHFFFAOYSA-N -1 0 312.330 -0.150 20 0 DBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1S(=O)(=O)c1ncc[n-]1 ZINC000632331631 382667435 /nfs/dbraw/zinc/66/74/35/382667435.db2.gz QKWWRZJBTMMMDI-GHMZBOCLSA-N -1 0 300.384 -0.107 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CCCC23CC3)c(=O)n(C)c1=O ZINC000632614613 382675192 /nfs/dbraw/zinc/67/51/92/382675192.db2.gz NOWYCTZSLOKLEK-JTQLQIEISA-N -1 0 313.379 -0.305 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCCOCC2)C1 ZINC000633063600 382680587 /nfs/dbraw/zinc/68/05/87/382680587.db2.gz ZKYXKPSSBVRXDK-AWEZNQCLSA-N -1 0 314.338 -0.815 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCC(CCO)CC2)C1 ZINC000633071691 382680876 /nfs/dbraw/zinc/68/08/76/382680876.db2.gz DIKJATJRBWBHAC-LBPRGKRZSA-N -1 0 312.366 -0.069 20 0 DBADRM C[C@H]1[C@H](CO)CCCN1C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000633070741 382681004 /nfs/dbraw/zinc/68/10/04/382681004.db2.gz QKZYVWFXTRLWDM-SRVKXCTJSA-N -1 0 312.366 -0.071 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC(CCF)CC2)CCO1 ZINC000633070188 382681019 /nfs/dbraw/zinc/68/10/19/382681019.db2.gz IWBFVAYGLJBHGO-LLVKDONJSA-N -1 0 316.329 -0.103 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC1COC1 ZINC000634251838 382693402 /nfs/dbraw/zinc/69/34/02/382693402.db2.gz NGHALNDOCGPHBZ-UHFFFAOYSA-N -1 0 306.290 -0.242 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)COC(F)F ZINC000811140477 805004553 /nfs/dbraw/zinc/00/45/53/805004553.db2.gz CQZYWRLNBNKPHS-UHFFFAOYSA-N -1 0 303.283 -0.129 20 0 DBADRM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)[N-]OCC(N)=O)C2=O ZINC000271402705 296362319 /nfs/dbraw/zinc/36/23/19/296362319.db2.gz NAYUJIMEZISKSS-OQPBUACISA-N -1 0 312.326 -0.980 20 0 DBADRM COC[C@H](NC(=O)[C@H](C)NC(=O)COc1ccccc1)C(=O)[O-] ZINC000449001324 533070939 /nfs/dbraw/zinc/07/09/39/533070939.db2.gz KMNDMGALYWJVOF-JQWIXIFHSA-N -1 0 324.333 -0.214 20 0 DBADRM C[C@H](CNC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)[O-] ZINC000262482414 220435500 /nfs/dbraw/zinc/43/55/00/220435500.db2.gz DOVCNCXWQJCPCS-MRVPVSSYSA-N -1 0 300.336 -0.074 20 0 DBADRM CS(=O)(=O)Nc1ccc(C(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000357072065 220692334 /nfs/dbraw/zinc/69/23/34/220692334.db2.gz PSRQYKNSTUUCMS-UHFFFAOYSA-N -1 0 322.350 -0.010 20 0 DBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000362583450 220815755 /nfs/dbraw/zinc/81/57/55/220815755.db2.gz JWDBIYYPEZRWNE-ZETCQYMHSA-N -1 0 303.340 -0.096 20 0 DBADRM C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)N(C)C(=O)OC(C)(C)C ZINC000497261876 533289483 /nfs/dbraw/zinc/28/94/83/533289483.db2.gz GMVDJDUGUOCYNU-ZETCQYMHSA-N -1 0 323.371 -0.827 20 0 DBADRM COc1c2cnn(C)c2ncc1C(=O)NCCc1nc(=O)o[n-]1 ZINC000447638003 533452968 /nfs/dbraw/zinc/45/29/68/533452968.db2.gz UWIQHJOFEFWOIE-UHFFFAOYSA-N -1 0 318.293 -0.374 20 0 DBADRM COc1ccc(CCNC(=O)C(=O)NCCC(=O)[O-])c(OC)c1 ZINC000420543993 533480537 /nfs/dbraw/zinc/48/05/37/533480537.db2.gz OYDZJSMSHGKWPU-UHFFFAOYSA-N -1 0 324.333 -0.047 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)C[C@@H]2CCCCO2)CCOC1 ZINC000447159478 533634707 /nfs/dbraw/zinc/63/47/07/533634707.db2.gz LEZNOMDWWYKOAF-JQWIXIFHSA-N -1 0 307.368 -0.193 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CCOC1 ZINC000447174621 533634984 /nfs/dbraw/zinc/63/49/84/533634984.db2.gz JWRGJKNGYQAHNW-NHCYSSNCSA-N -1 0 322.383 -0.738 20 0 DBADRM NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CCO1 ZINC000273661429 130149731 /nfs/dbraw/zinc/14/97/31/130149731.db2.gz ICCUUYZUICUBJS-JTQLQIEISA-N -1 0 314.319 -0.740 20 0 DBADRM CCOC(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000274530897 130244025 /nfs/dbraw/zinc/24/40/25/130244025.db2.gz BNENLCXTBIFGTM-MRVPVSSYSA-N -1 0 310.310 -0.554 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1C ZINC000274876405 130268114 /nfs/dbraw/zinc/26/81/14/130268114.db2.gz BVHUFIOEFPCOAH-SECBINFHSA-N -1 0 317.319 -0.495 20 0 DBADRM COc1cccc(OC)c1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000274901437 130271495 /nfs/dbraw/zinc/27/14/95/130271495.db2.gz IDONYUVLFVUTAW-SSDOTTSWSA-N -1 0 305.308 -0.572 20 0 DBADRM Cc1cc(F)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1F ZINC000274900455 130271591 /nfs/dbraw/zinc/27/15/91/130271591.db2.gz IBZJBFQIBATXRQ-QMMMGPOBSA-N -1 0 322.289 -0.120 20 0 DBADRM Cc1cccc(F)c1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000274897352 130271779 /nfs/dbraw/zinc/27/17/79/130271779.db2.gz HHSFWWJXKPJSJW-MRVPVSSYSA-N -1 0 304.299 -0.259 20 0 DBADRM CCN(C)C(=O)CNC(=O)c1cc(S(=O)(=O)NC)oc1C ZINC000274907795 130273624 /nfs/dbraw/zinc/27/36/24/130273624.db2.gz GNEJYXLCZKKBAZ-UHFFFAOYSA-N -1 0 317.367 -0.296 20 0 DBADRM C[C@H](CNC(=O)CSc1n[nH]c(=O)[n-]1)CN1CCOCC1 ZINC000274935372 130275223 /nfs/dbraw/zinc/27/52/23/130275223.db2.gz CNUFUCIJWPMIKX-SECBINFHSA-N -1 0 315.399 -0.725 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN(CC(F)F)CC1 ZINC000274930885 130275575 /nfs/dbraw/zinc/27/55/75/130275575.db2.gz AWXPTOZCOLJPAE-UHFFFAOYSA-N -1 0 307.326 -0.401 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cnc1Cl ZINC000274967492 130276693 /nfs/dbraw/zinc/27/66/93/130276693.db2.gz VWGAORFNZICEGB-ZETCQYMHSA-N -1 0 321.742 -0.350 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)Cc1c(F)cccc1F ZINC000274966229 130276762 /nfs/dbraw/zinc/27/67/62/130276762.db2.gz VSZPAMWGJMRFRK-UHFFFAOYSA-N -1 0 322.289 -0.415 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c[nH]1 ZINC000274958236 130277284 /nfs/dbraw/zinc/27/72/84/130277284.db2.gz BCROZADIVMIFQS-SECBINFHSA-N -1 0 318.307 -0.725 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)Cc1ccc(Cl)nc1)C(=O)[O-] ZINC000274957974 130277603 /nfs/dbraw/zinc/27/76/03/130277603.db2.gz UQSNIHJGCCUZGQ-MUWHJKNJSA-N -1 0 308.743 -0.012 20 0 DBADRM COCc1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000274964334 130277702 /nfs/dbraw/zinc/27/77/02/130277702.db2.gz VKDOGECXMWEZAS-KCJUWKMLSA-N -1 0 303.336 -0.055 20 0 DBADRM COCCn1cc(S(=O)(=O)NC[C@H](C)CC(=O)[O-])cn1 ZINC000274976900 130278600 /nfs/dbraw/zinc/27/86/00/130278600.db2.gz JHJYQMYYHBKCLK-SECBINFHSA-N -1 0 305.356 -0.081 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)Cc1ccc(Cl)nc1)C(=O)[O-] ZINC000274991173 130281515 /nfs/dbraw/zinc/28/15/15/130281515.db2.gz ZECUHBOZDMQFQE-SSDOTTSWSA-N -1 0 321.742 -0.517 20 0 DBADRM Cc1nn(C)c2ncc(S(=O)(=O)N3CC(C(=O)[O-])C3)cc12 ZINC000275084304 130289240 /nfs/dbraw/zinc/28/92/40/130289240.db2.gz FMRUURAGMRWRHG-UHFFFAOYSA-N -1 0 310.335 -0.018 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)cn1 ZINC000275077523 130289939 /nfs/dbraw/zinc/28/99/39/130289939.db2.gz XXMLCBNAHMKLOD-ZJUUUORDSA-N -1 0 315.351 -0.163 20 0 DBADRM C[C@@H](CN(C)C(=O)CNC(=O)c1cccc(O)c1)c1nnn[n-]1 ZINC000275108314 130291405 /nfs/dbraw/zinc/29/14/05/130291405.db2.gz GNRWMOUMMJFDHA-VIFPVBQESA-N -1 0 318.337 -0.103 20 0 DBADRM O=C([O-])C1CN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000275124047 130293073 /nfs/dbraw/zinc/29/30/73/130293073.db2.gz MTISQZBVXFXCBJ-SECBINFHSA-N -1 0 301.324 -0.450 20 0 DBADRM COC(=O)[C@H](NC(=O)CNC(=O)c1cccc(O)c1)[C@@H](C)O ZINC000275120555 130293626 /nfs/dbraw/zinc/29/36/26/130293626.db2.gz KNUAKVFLFHQVFQ-PRHODGIISA-N -1 0 310.306 -0.839 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1C ZINC000275132427 130293686 /nfs/dbraw/zinc/29/36/86/130293686.db2.gz VOSGYBXMAKPBFV-VIFPVBQESA-N -1 0 305.356 -0.366 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)nc1 ZINC000275243145 130299234 /nfs/dbraw/zinc/29/92/34/130299234.db2.gz GTVDLDQDRJSQDB-HTRCEHHLSA-N -1 0 306.727 -0.057 20 0 DBADRM Cn1cc(C[C@@H](NS(=O)(=O)C[C@H]2CCCO2)C(=O)[O-])cn1 ZINC000275265188 130300400 /nfs/dbraw/zinc/30/04/00/130300400.db2.gz MRPAMNCYONEFFB-GHMZBOCLSA-N -1 0 317.367 -0.486 20 0 DBADRM CC(=O)Nc1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])ccc1F ZINC000275294367 130302458 /nfs/dbraw/zinc/30/24/58/130302458.db2.gz PVXPXONCULPAOS-SNVBAGLBSA-N -1 0 320.298 -0.492 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)N1CCOCC1)c1ccc(O)cc1 ZINC000275286146 130302963 /nfs/dbraw/zinc/30/29/63/130302963.db2.gz OTKGUCOBTMDFJS-LLVKDONJSA-N -1 0 316.335 -0.316 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)[O-] ZINC000275355018 130308176 /nfs/dbraw/zinc/30/81/76/130308176.db2.gz WUQCXEZKWXAVHN-JTQLQIEISA-N -1 0 316.335 -0.047 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000275362771 130308363 /nfs/dbraw/zinc/30/83/63/130308363.db2.gz VFJUDLNJTLALDX-RQJHMYQMSA-N -1 0 321.742 -0.474 20 0 DBADRM Cn1cc(C[C@H](NS(=O)(=O)c2cnn(C)c2)C(=O)[O-])cn1 ZINC000275374009 130309923 /nfs/dbraw/zinc/30/99/23/130309923.db2.gz ZBWCLWMOVZVHHP-JTQLQIEISA-N -1 0 313.339 -0.872 20 0 DBADRM Cc1nn(C)c2ncc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc12 ZINC000275375438 130310326 /nfs/dbraw/zinc/31/03/26/130310326.db2.gz ZCSUEJVBSKQXKD-VIFPVBQESA-N -1 0 314.323 -0.999 20 0 DBADRM COc1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])ccc1F ZINC000276202332 130454829 /nfs/dbraw/zinc/45/48/29/130454829.db2.gz JQPRQVPUMRDEDK-QMMMGPOBSA-N -1 0 320.298 -0.559 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC000507397357 391914029 /nfs/dbraw/zinc/91/40/29/391914029.db2.gz AQXULTRFANNLOI-NXEZZACHSA-N -1 0 304.368 -0.409 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000400122761 391986124 /nfs/dbraw/zinc/98/61/24/391986124.db2.gz MNHXPHIWTCCXSV-JTQLQIEISA-N -1 0 321.399 -0.085 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000400326001 391988198 /nfs/dbraw/zinc/98/81/98/391988198.db2.gz ZVDUDHYQCLSFEA-JOYOIKCWSA-N -1 0 319.383 -0.474 20 0 DBADRM CN=c1[n-]nc(CC(=O)NCC(C)(C)[C@]2(O)CCOC2)s1 ZINC000649088540 392011699 /nfs/dbraw/zinc/01/16/99/392011699.db2.gz VSROYLJINRJVBJ-ZDUSSCGKSA-N -1 0 314.411 -0.162 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccco1 ZINC000277314156 130600686 /nfs/dbraw/zinc/60/06/86/130600686.db2.gz TYQVUGNQMSORNH-MRVPVSSYSA-N -1 0 323.348 -0.458 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000649160028 392014208 /nfs/dbraw/zinc/01/42/08/392014208.db2.gz ANNSQSKCMVDZHN-ZCFIWIBFSA-N -1 0 303.278 -0.304 20 0 DBADRM CC(C)[C@@](C)(O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000312497958 391975635 /nfs/dbraw/zinc/97/56/35/391975635.db2.gz KZXYHVZDAHFSQV-NSHDSACASA-N -1 0 305.356 -0.347 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1noc2c1CCCC2 ZINC000277612573 130627073 /nfs/dbraw/zinc/62/70/73/130627073.db2.gz LVZUXZVOZFLMAX-UHFFFAOYSA-N -1 0 315.351 -0.251 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCCCn2cncn2)C1 ZINC000381969922 392082716 /nfs/dbraw/zinc/08/27/16/392082716.db2.gz BKSIJXDTBXQKPS-CYBMUJFWSA-N -1 0 311.342 -0.199 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@]2(C(=O)[O-])CCSC2)S1(=O)=O ZINC000649246119 392022900 /nfs/dbraw/zinc/02/29/00/392022900.db2.gz OHTSODYIAPZGJL-XCBNKYQSSA-N -1 0 308.381 -0.903 20 0 DBADRM O=C([O-])Cn1ccc(=NC(=O)[C@@H]2CCc3ncncc3C2)[nH]1 ZINC000649244981 392023041 /nfs/dbraw/zinc/02/30/41/392023041.db2.gz DBYGTHMMNXLMTF-SECBINFHSA-N -1 0 301.306 -0.077 20 0 DBADRM C[C@@H](CN(C(=O)[C@H]1CCN(C)S1(=O)=O)C1CC1)C(=O)[O-] ZINC000649247424 392023079 /nfs/dbraw/zinc/02/30/79/392023079.db2.gz SCFKTOQHVSTTQZ-WCBMZHEXSA-N -1 0 304.368 -0.268 20 0 DBADRM CN1CC[C@@H](C(=O)NCc2nc(C(=O)[O-])cs2)S1(=O)=O ZINC000649245354 392023292 /nfs/dbraw/zinc/02/32/92/392023292.db2.gz DLTCOQKNUAAGNE-ZETCQYMHSA-N -1 0 319.364 -0.509 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC000649257399 392024285 /nfs/dbraw/zinc/02/42/85/392024285.db2.gz IMDUDNSKEQFNQY-ZJUUUORDSA-N -1 0 320.367 -0.888 20 0 DBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000649250933 392024526 /nfs/dbraw/zinc/02/45/26/392024526.db2.gz CTYHLWVJTWAJQE-AEJSXWLSSA-N -1 0 320.367 -0.889 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(c2cncc(C(=O)[O-])n2)C1 ZINC000649385651 392061001 /nfs/dbraw/zinc/06/10/01/392061001.db2.gz VBHLRSVABBZHLT-SECBINFHSA-N -1 0 314.367 -0.060 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(c2nc(C(=O)[O-])co2)CC1 ZINC000649384822 392061402 /nfs/dbraw/zinc/06/14/02/392061402.db2.gz PGIGKVFGUVKTGV-UHFFFAOYSA-N -1 0 304.328 -0.699 20 0 DBADRM C[C@@](O)(CNc1cc(N2CCC[C@@H](CO)C2)ncn1)C(=O)[O-] ZINC000649402852 392064556 /nfs/dbraw/zinc/06/45/56/392064556.db2.gz WFDZBPIXTQRTPB-QMTHXVAHSA-N -1 0 310.354 -0.067 20 0 DBADRM C[C@](O)(CNc1cc(N2CCC[C@@H](CO)C2)ncn1)C(=O)[O-] ZINC000649402853 392064833 /nfs/dbraw/zinc/06/48/33/392064833.db2.gz WFDZBPIXTQRTPB-YGRLFVJLSA-N -1 0 310.354 -0.067 20 0 DBADRM O=C([O-])c1cn(CCNc2ccc3nnc(C4CC4)n3n2)nn1 ZINC000649407628 392064867 /nfs/dbraw/zinc/06/48/67/392064867.db2.gz XPYLVOXEZGWQBM-UHFFFAOYSA-N -1 0 314.309 -0.175 20 0 DBADRM CO[C@@H]1COC[C@H]1n1cc(CNc2cncc(C(=O)[O-])n2)nn1 ZINC000649399228 392065624 /nfs/dbraw/zinc/06/56/24/392065624.db2.gz WJTUPWVJFBSGJK-GHMZBOCLSA-N -1 0 320.309 -0.035 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000380844236 392065892 /nfs/dbraw/zinc/06/58/92/392065892.db2.gz QBCOWGUSHGOEHL-LLVKDONJSA-N -1 0 303.340 -0.468 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000554531446 392094755 /nfs/dbraw/zinc/09/47/55/392094755.db2.gz AYNKTHJFTPVNCE-BDAKNGLRSA-N -1 0 323.367 -0.405 20 0 DBADRM CCN(CC(=O)[O-])C(=O)NCCCN(CC)S(C)(=O)=O ZINC000554601207 392097624 /nfs/dbraw/zinc/09/76/24/392097624.db2.gz OVVBHQQNXVRVQG-UHFFFAOYSA-N -1 0 309.388 -0.226 20 0 DBADRM Cc1cc2c(cc1S(=O)(=O)NC[C@H](O)C(=O)[O-])OCO2 ZINC000279983837 130774430 /nfs/dbraw/zinc/77/44/30/130774430.db2.gz LBUNOPJTOLTQCW-ZETCQYMHSA-N -1 0 303.292 -0.552 20 0 DBADRM Cc1cc(=NC(=O)Cn2nc3n(c2=O)CCCC3)[n-]nc1C ZINC000649736957 392119309 /nfs/dbraw/zinc/11/93/09/392119309.db2.gz NHMZLLJZNAJOLN-UHFFFAOYSA-N -1 0 302.338 -0.151 20 0 DBADRM C[C@@H](CCNS(=O)(=O)c1cc(C(N)=O)n(C)c1)CC(=O)[O-] ZINC000275087077 392122856 /nfs/dbraw/zinc/12/28/56/392122856.db2.gz ZTEFIRIIZMNJKI-QMMMGPOBSA-N -1 0 317.367 -0.097 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000275241146 392123106 /nfs/dbraw/zinc/12/31/06/392123106.db2.gz GSEQTEBRFJIRPT-UHFFFAOYSA-N -1 0 317.319 -0.459 20 0 DBADRM O=c1[n-]nnn1-c1ccc(NS(=O)(=O)N2CCCC2)cc1 ZINC000282215389 130907804 /nfs/dbraw/zinc/90/78/04/130907804.db2.gz QXILMVJNPWTTRF-UHFFFAOYSA-N -1 0 310.339 -0.292 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1ccnn1C)[C@@H](C)C(=O)[O-] ZINC000583934719 392352021 /nfs/dbraw/zinc/35/20/21/392352021.db2.gz SCXJVZNZPWRKRE-JTQLQIEISA-N -1 0 310.354 -0.210 20 0 DBADRM CCOc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000035085339 392350059 /nfs/dbraw/zinc/35/00/59/392350059.db2.gz ADHZNRNBUXXVHU-UHFFFAOYSA-N -1 0 316.335 -0.436 20 0 DBADRM C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000284238745 131062615 /nfs/dbraw/zinc/06/26/15/131062615.db2.gz KSRYCXHEAFSCKG-IUCAKERBSA-N -1 0 323.353 -0.081 20 0 DBADRM CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1)C(=O)[O-] ZINC000035233006 392357990 /nfs/dbraw/zinc/35/79/90/392357990.db2.gz JERFBXFKLNQRAR-VIFPVBQESA-N -1 0 316.335 -0.064 20 0 DBADRM Cc1ccc(F)cc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000035384502 392359737 /nfs/dbraw/zinc/35/97/37/392359737.db2.gz OSSJNCSYUGPXOJ-UHFFFAOYSA-N -1 0 304.299 -0.387 20 0 DBADRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(N)=O ZINC000035651028 392364961 /nfs/dbraw/zinc/36/49/61/392364961.db2.gz MTWLSYUNFGVOBH-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000285201331 131147509 /nfs/dbraw/zinc/14/75/09/131147509.db2.gz RGWKRBORAJUALE-UHFFFAOYSA-N -1 0 317.367 -0.112 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)CCCC(=O)N(C)C)[n-]1 ZINC000285222818 131148836 /nfs/dbraw/zinc/14/88/36/131148836.db2.gz XAVWMCPJKGRRIA-UHFFFAOYSA-N -1 0 303.340 -0.162 20 0 DBADRM COc1ccc(S(=O)(=O)NCCNC(C)=O)cc1C(=O)[O-] ZINC000036746365 392366596 /nfs/dbraw/zinc/36/65/96/392366596.db2.gz OJMSJHXORQWXPT-UHFFFAOYSA-N -1 0 316.335 -0.192 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000036968609 392368351 /nfs/dbraw/zinc/36/83/51/392368351.db2.gz GQUXWMHGZYEPER-VIFPVBQESA-N -1 0 303.292 -0.803 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)CCc1ccccc1)C(=O)[O-] ZINC000037462767 392373592 /nfs/dbraw/zinc/37/35/92/392373592.db2.gz AMLYBLSLGRJVHB-JTQLQIEISA-N -1 0 300.336 -0.523 20 0 DBADRM NC(=O)CC[C@H](NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000037374627 392373715 /nfs/dbraw/zinc/37/37/15/392373715.db2.gz XEOSOAHWOMKQCB-VIFPVBQESA-N -1 0 322.289 -0.038 20 0 DBADRM CC(C)C[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000037418326 392373974 /nfs/dbraw/zinc/37/39/74/392373974.db2.gz GXMZKZOUCFFMIT-SECBINFHSA-N -1 0 317.367 -0.098 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1C ZINC000037462761 392374121 /nfs/dbraw/zinc/37/41/21/392374121.db2.gz KSAHEOYBGWSCNR-SECBINFHSA-N -1 0 316.335 -0.389 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H](C)CN1CCCC1=O ZINC000285980338 131213620 /nfs/dbraw/zinc/21/36/20/131213620.db2.gz FPYXNARKWLIGIZ-SECBINFHSA-N -1 0 303.384 -0.476 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000037792613 392377899 /nfs/dbraw/zinc/37/78/99/392377899.db2.gz NOLRYEQECBPYTR-VHSXEESVSA-N -1 0 304.368 -0.363 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CF)C(=O)OC ZINC000287405704 131279332 /nfs/dbraw/zinc/27/93/32/131279332.db2.gz KYYCDUQQGVHTCD-SSDOTTSWSA-N -1 0 323.302 -0.624 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-] ZINC000287450615 131280676 /nfs/dbraw/zinc/28/06/76/131280676.db2.gz IAVOTDJIYYDDFG-NSHDSACASA-N -1 0 305.356 -0.520 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N=c2ncn(C)[n-]2)CC2(CCCC2)O1 ZINC000646944707 392387878 /nfs/dbraw/zinc/38/78/78/392387878.db2.gz LIIMHAGVVCBHHG-SNVBAGLBSA-N -1 0 307.354 -0.264 20 0 DBADRM COCC(=O)N(C)CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000288710754 131336248 /nfs/dbraw/zinc/33/62/48/131336248.db2.gz CGQNGMCPESOFDR-UHFFFAOYSA-N -1 0 319.321 -0.192 20 0 DBADRM Cn1[n-]nnc1=NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000557458084 392436290 /nfs/dbraw/zinc/43/62/90/392436290.db2.gz VSYMKWUGVHLDII-UHFFFAOYSA-N -1 0 307.358 -0.311 20 0 DBADRM CC(C)(O)CCNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000557572958 392436329 /nfs/dbraw/zinc/43/63/29/392436329.db2.gz WFIMPJAYXPGBEU-JTQLQIEISA-N -1 0 300.355 -0.023 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC000574638029 392529525 /nfs/dbraw/zinc/52/95/25/392529525.db2.gz IOFJJCKQJNJCBV-NEPJUHHUSA-N -1 0 310.350 -0.053 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000583438334 392532372 /nfs/dbraw/zinc/53/23/72/392532372.db2.gz FCFVCFCGAOCUHL-VIFPVBQESA-N -1 0 303.340 -0.233 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)C2COC2)C1=O ZINC000561174599 392535501 /nfs/dbraw/zinc/53/55/01/392535501.db2.gz ZPDVZYRPUVYTNE-NXEZZACHSA-N -1 0 320.367 -0.985 20 0 DBADRM C[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)[C@@H](C)N1CCOCC1 ZINC000559278797 392482453 /nfs/dbraw/zinc/48/24/53/392482453.db2.gz LKRNHFZXXZKVAT-GHMZBOCLSA-N -1 0 319.365 -0.138 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc1 ZINC000040699629 392482506 /nfs/dbraw/zinc/48/25/06/392482506.db2.gz STKXKXVOJJJHBM-JTQLQIEISA-N -1 0 317.319 -0.413 20 0 DBADRM CNC(=O)c1cccc(OCC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000647219595 392484433 /nfs/dbraw/zinc/48/44/33/392484433.db2.gz OLJFCMJAMVZXFM-LBPRGKRZSA-N -1 0 322.317 -0.263 20 0 DBADRM O=C(c1ccc(O)cc1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000092642917 392486296 /nfs/dbraw/zinc/48/62/96/392486296.db2.gz DEHHXESWMYOPSR-UHFFFAOYSA-N -1 0 303.322 -0.238 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)c1cnn(CCOC)c1)C(=O)[O-] ZINC000290966480 131531829 /nfs/dbraw/zinc/53/18/29/131531829.db2.gz ODHLHUOJQVHRPF-SNVBAGLBSA-N -1 0 321.355 -0.703 20 0 DBADRM O=C([O-])[C@@H](Cc1ccco1)NC(=O)N1CCS(=O)(=O)CC1 ZINC000559431552 392503342 /nfs/dbraw/zinc/50/33/42/392503342.db2.gz MREDJSJAQJIHGC-SNVBAGLBSA-N -1 0 316.335 -0.285 20 0 DBADRM O=C(Nc1ccccc1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000370863455 392508491 /nfs/dbraw/zinc/50/84/91/392508491.db2.gz WASSVAREJXYZPG-SNVBAGLBSA-N -1 0 302.294 -0.262 20 0 DBADRM O=C([O-])[C@@H](NC(=O)NCCCn1ccnn1)C1CCOCC1 ZINC000559573926 392510003 /nfs/dbraw/zinc/51/00/03/392510003.db2.gz QUIALKQCYIXPNO-NSHDSACASA-N -1 0 311.342 -0.153 20 0 DBADRM CC[C@H](NC(=O)CCNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000647254346 392516514 /nfs/dbraw/zinc/51/65/14/392516514.db2.gz GHYDXYYQODYYDY-JTQLQIEISA-N -1 0 315.351 -0.271 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000427732001 392552733 /nfs/dbraw/zinc/55/27/33/392552733.db2.gz SRDGBJWFUMWHTF-YUMQZZPRSA-N -1 0 318.355 -0.934 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)NC[C@@H](OC)C(=O)[O-])c1 ZINC000427792815 392556087 /nfs/dbraw/zinc/55/60/87/392556087.db2.gz AUBHPSXLIBKOOS-SNVBAGLBSA-N -1 0 316.335 -0.576 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)c1c[nH]nc1C)C(=O)[O-] ZINC000168812378 392568202 /nfs/dbraw/zinc/56/82/02/392568202.db2.gz QRMSXPPNWJXGQJ-ZETCQYMHSA-N -1 0 305.312 -0.597 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCC[C@]1(COC)C(=O)[O-] ZINC000643850685 392573428 /nfs/dbraw/zinc/57/34/28/392573428.db2.gz XPOWJLDFQOVFBH-LBPRGKRZSA-N -1 0 307.368 -0.097 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCC[C@@]1(COC)C(=O)[O-] ZINC000643850684 392573578 /nfs/dbraw/zinc/57/35/78/392573578.db2.gz XPOWJLDFQOVFBH-GFCCVEGCSA-N -1 0 307.368 -0.097 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cnn3ccccc23)CCS1(=O)=O ZINC000643869719 392580889 /nfs/dbraw/zinc/58/08/89/392580889.db2.gz KBPZKNWLMOJNEO-NSHDSACASA-N -1 0 323.330 -0.342 20 0 DBADRM O=C([O-])[C@@H]1Cn2cnnc2CN1CC(=O)N1CCCCCC1 ZINC000643881775 392581951 /nfs/dbraw/zinc/58/19/51/392581951.db2.gz VFSIRDDBXWXPQX-NSHDSACASA-N -1 0 307.354 -0.051 20 0 DBADRM Cn1cc(S(=O)(=O)NCc2ncccc2O)cc1C(N)=O ZINC000360026146 392582251 /nfs/dbraw/zinc/58/22/51/392582251.db2.gz XOECVPRZVUUGPA-UHFFFAOYSA-N -1 0 310.335 -0.297 20 0 DBADRM NC(=O)CN1CCN(c2ncc(C(=O)[O-])cc2Cl)CC1=O ZINC000647456152 392590748 /nfs/dbraw/zinc/59/07/48/392590748.db2.gz BYADNXOEYCQVTB-UHFFFAOYSA-N -1 0 312.713 -0.433 20 0 DBADRM COC(=O)[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])oc1C)OC ZINC000291958068 131612134 /nfs/dbraw/zinc/61/21/34/131612134.db2.gz REKXCTXOZUAENR-MRVPVSSYSA-N -1 0 321.307 -0.247 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647491497 392597468 /nfs/dbraw/zinc/59/74/68/392597468.db2.gz XEEGBZYLRWWOSU-JGVFFNPUSA-N -1 0 308.294 -0.207 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cn(C)nc1C ZINC000643971484 392602848 /nfs/dbraw/zinc/60/28/48/392602848.db2.gz ULYOGZCGFSYZLJ-LBPRGKRZSA-N -1 0 317.367 -0.017 20 0 DBADRM CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)[O-] ZINC000292240441 131635846 /nfs/dbraw/zinc/63/58/46/131635846.db2.gz CDGUGXJJDLSVNG-UHFFFAOYSA-N -1 0 302.308 -0.744 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC[C@@H](O)C(=O)[O-])c1ccccc1 ZINC000566489848 392545229 /nfs/dbraw/zinc/54/52/29/392545229.db2.gz BPEJLAONCVSPPV-MNOVXSKESA-N -1 0 303.336 -0.261 20 0 DBADRM CCOCCO[C@H](C)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424233456 392665398 /nfs/dbraw/zinc/66/53/98/392665398.db2.gz DGMPOFFRSHSALG-NXEZZACHSA-N -1 0 323.367 -0.862 20 0 DBADRM CCOCC1(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000424230546 392665716 /nfs/dbraw/zinc/66/57/16/392665716.db2.gz AAPJXASFVXCXNW-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM CC(C)OCCCC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424235294 392665853 /nfs/dbraw/zinc/66/58/53/392665853.db2.gz FZSIFRMEGXWBSN-JTQLQIEISA-N -1 0 307.368 -0.098 20 0 DBADRM C[C@@H]1C[C@H](C)[C@H](C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)O1 ZINC000424256288 392666776 /nfs/dbraw/zinc/66/67/76/392666776.db2.gz JCBVSZMDBVKLIV-QCLAVDOMSA-N -1 0 305.352 -0.490 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Cc2ccc(O)cc2)CCS1(=O)=O ZINC000424245143 392666961 /nfs/dbraw/zinc/66/69/61/392666961.db2.gz OOHUVBZWICOWKU-LLVKDONJSA-N -1 0 313.331 -0.355 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cn3ccccc3n2)CCS1(=O)=O ZINC000424254740 392667162 /nfs/dbraw/zinc/66/71/62/392667162.db2.gz LKOUMUSJDRXPKJ-SNVBAGLBSA-N -1 0 323.330 -0.342 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(F)(F)F ZINC000424245493 392667172 /nfs/dbraw/zinc/66/71/72/392667172.db2.gz PAXSRWFHDUMOHW-NTSWFWBYSA-N -1 0 303.258 -0.105 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CC[C@H]2CCCO2)CCS1(=O)=O ZINC000424248675 392667404 /nfs/dbraw/zinc/66/74/04/392667404.db2.gz SJKKZACDAVKRKY-ZJUUUORDSA-N -1 0 305.352 -0.344 20 0 DBADRM CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424265737 392667538 /nfs/dbraw/zinc/66/75/38/392667538.db2.gz VVRNSKYATLUVLZ-MXWKQRLJSA-N -1 0 319.379 -0.242 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424245574 392667651 /nfs/dbraw/zinc/66/76/51/392667651.db2.gz PGNXVMRFUDMWAY-JTQLQIEISA-N -1 0 315.351 -0.790 20 0 DBADRM CC(C)c1cc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)[nH]n1 ZINC000424247808 392667670 /nfs/dbraw/zinc/66/76/70/392667670.db2.gz RCOGSXKHFTVRNU-JTQLQIEISA-N -1 0 315.351 -0.143 20 0 DBADRM CCc1cccnc1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424251633 392667690 /nfs/dbraw/zinc/66/76/90/392667690.db2.gz VIHGRTQKXDOBRO-SNVBAGLBSA-N -1 0 312.347 -0.032 20 0 DBADRM COCC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424396719 392668478 /nfs/dbraw/zinc/66/84/78/392668478.db2.gz QUECDICPQVONDJ-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM CC[C@](C)(CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)OC ZINC000424395764 392668702 /nfs/dbraw/zinc/66/87/02/392668702.db2.gz FSVLDGJXJBFROD-BXKDBHETSA-N -1 0 322.383 -0.305 20 0 DBADRM C[C@@H]1CC[C@H](CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)O1 ZINC000424400032 392668823 /nfs/dbraw/zinc/66/88/23/392668823.db2.gz SKLQGCRAZJRTDD-BBBLOLIVSA-N -1 0 320.367 -0.553 20 0 DBADRM C[C@@H](NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(C)(F)F ZINC000424395481 392668882 /nfs/dbraw/zinc/66/88/82/392668882.db2.gz ZXMMKKNJSLZKHH-RQJHMYQMSA-N -1 0 314.310 -0.077 20 0 DBADRM C[C@@]1(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCCO1 ZINC000424401513 392670206 /nfs/dbraw/zinc/67/02/06/392670206.db2.gz BUYRYVZVWRVJHD-CABZTGNLSA-N -1 0 320.367 -0.551 20 0 DBADRM CC[C@H](COC)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424406953 392670525 /nfs/dbraw/zinc/67/05/25/392670525.db2.gz KCXBMSFCRBHIFY-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM C[C@]1(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCCO1 ZINC000424401507 392670540 /nfs/dbraw/zinc/67/05/40/392670540.db2.gz BUYRYVZVWRVJHD-BXKDBHETSA-N -1 0 320.367 -0.551 20 0 DBADRM COC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424401922 392670634 /nfs/dbraw/zinc/67/06/34/392670634.db2.gz CLMAAKRYMQVEQP-QMMMGPOBSA-N -1 0 308.356 -0.695 20 0 DBADRM Cc1cn2nc(N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)sc2n1 ZINC000424461824 392671972 /nfs/dbraw/zinc/67/19/72/392671972.db2.gz ANLBDMGXVBAKEQ-SSDOTTSWSA-N -1 0 316.364 -0.213 20 0 DBADRM COc1nc(C)nc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1C ZINC000424469986 392672337 /nfs/dbraw/zinc/67/23/37/392672337.db2.gz LDPHWKSVZVHSBR-SECBINFHSA-N -1 0 315.351 -0.210 20 0 DBADRM C[C@@H]1CSC[C@H]1NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424455316 392672351 /nfs/dbraw/zinc/67/23/51/392672351.db2.gz UTGOBGPPRKELOV-HLTSFMKQSA-N -1 0 322.408 -0.369 20 0 DBADRM CN1CC[C@H](C(=O)N=c2ccc(C(F)(F)F)n[n-]2)S1(=O)=O ZINC000648349954 392677304 /nfs/dbraw/zinc/67/73/04/392677304.db2.gz JFWGUUXCUQOFAZ-ZCFIWIBFSA-N -1 0 324.284 -0.110 20 0 DBADRM COCc1nsc(NC([O-])=C2CCN(C)S2(=O)=O)n1 ZINC000648352357 392677330 /nfs/dbraw/zinc/67/73/30/392677330.db2.gz DBFOIEJHUPFJKE-ZCFIWIBFSA-N -1 0 306.369 -0.921 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(C)(O)CC2)C[C@@H]1C(=O)[O-] ZINC000647503854 392621918 /nfs/dbraw/zinc/62/19/18/392621918.db2.gz OKXYIHICXBAMDL-QWRGUYRKSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)[C@H]1CO ZINC000647504303 392622928 /nfs/dbraw/zinc/62/29/28/392622928.db2.gz PSEHZKMDASUQDU-QWRGUYRKSA-N -1 0 312.366 -0.071 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCCN2CCCC2=O)C1 ZINC000405400262 392626208 /nfs/dbraw/zinc/62/62/08/392626208.db2.gz WAXMZEGQPZIFGP-CQSZACIVSA-N -1 0 313.354 -0.259 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1 ZINC000647505768 392626324 /nfs/dbraw/zinc/62/63/24/392626324.db2.gz BIBSGBXMGLNPST-MNOVXSKESA-N -1 0 312.366 -0.071 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000647506539 392626363 /nfs/dbraw/zinc/62/63/63/392626363.db2.gz ODOCQVJXLIJXQG-KOLCDFICSA-N -1 0 313.354 -0.850 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCCCn2ccnn2)C1 ZINC000647584377 392648047 /nfs/dbraw/zinc/64/80/47/392648047.db2.gz AETOUAKDGJHHPV-ZJUUUORDSA-N -1 0 309.326 -0.846 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647580478 392648117 /nfs/dbraw/zinc/64/81/17/392648117.db2.gz PJJUFEJKDFBZPO-OUAUKWLOSA-N -1 0 308.338 -0.243 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647581225 392648170 /nfs/dbraw/zinc/64/81/70/392648170.db2.gz TXKABXAILOUJNF-OUAUKWLOSA-N -1 0 308.338 -0.243 20 0 DBADRM C[C@@H]1SCC[C@H]1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000647590221 392649393 /nfs/dbraw/zinc/64/93/93/392649393.db2.gz CMRFPJUYURRZQL-DJLDLDEBSA-N -1 0 302.352 -0.691 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)CCOCC1 ZINC000647589636 392649435 /nfs/dbraw/zinc/64/94/35/392649435.db2.gz WWFQPXQLUHLEQV-JGPRNRPPSA-N -1 0 310.350 -0.101 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000647590290 392649675 /nfs/dbraw/zinc/64/96/75/392649675.db2.gz FZXVNZKBJWNQJZ-QWRGUYRKSA-N -1 0 314.338 -0.626 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC000647592092 392650891 /nfs/dbraw/zinc/65/08/91/392650891.db2.gz UEUGVWUKHUHQHE-GRYCIOLGSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCOCC2)C[C@H]1C(F)F ZINC000647621323 392657541 /nfs/dbraw/zinc/65/75/41/392657541.db2.gz IPWRDWPOLJPRJI-HTQZYQBOSA-N -1 0 314.310 -0.539 20 0 DBADRM COc1ccc(F)cc1S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC000647639547 392660907 /nfs/dbraw/zinc/66/09/07/392660907.db2.gz CWQMIWIZSWYVFH-NSHDSACASA-N -1 0 307.299 -0.052 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)CCC[C@H]2CCOC2)CCO1 ZINC000647639492 392660940 /nfs/dbraw/zinc/66/09/40/392660940.db2.gz AFDPFUADWCMRJX-WDEREUQCSA-N -1 0 307.368 -0.082 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccn(C)n1 ZINC000647640561 392662087 /nfs/dbraw/zinc/66/20/87/392662087.db2.gz RJFAWXICFVDXLY-LLVKDONJSA-N -1 0 303.340 -0.326 20 0 DBADRM COc1ncc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc1Cl ZINC000647639722 392662300 /nfs/dbraw/zinc/66/23/00/392662300.db2.gz MZYNAWZVSVOXSS-SNVBAGLBSA-N -1 0 324.742 -0.143 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)CCCC1CCOCC1)C(=O)[O-] ZINC000647639826 392662408 /nfs/dbraw/zinc/66/24/08/392662408.db2.gz RPSBGCGLLTYRDM-GFCCVEGCSA-N -1 0 309.384 -0.052 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647642496 392663848 /nfs/dbraw/zinc/66/38/48/392663848.db2.gz MAKDZAILYOZYHP-UWVGGRQHSA-N -1 0 307.368 -0.035 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C)C1CC1 ZINC000647642888 392663861 /nfs/dbraw/zinc/66/38/61/392663861.db2.gz WFGYUELYKISNOI-MNOVXSKESA-N -1 0 317.367 -0.110 20 0 DBADRM COC[C@@H](C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000647642790 392664013 /nfs/dbraw/zinc/66/40/13/392664013.db2.gz KVDLGVDIRBAJGB-PSASIEDQSA-N -1 0 305.356 -0.252 20 0 DBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)CC1CCC1 ZINC000408041717 392692981 /nfs/dbraw/zinc/69/29/81/392692981.db2.gz DOTMAUQVLZTXEO-UHFFFAOYSA-N -1 0 310.397 -0.732 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCO[C@H]4C[C@H]43)cc-2c(=O)[n-]1 ZINC000644282010 392712446 /nfs/dbraw/zinc/71/24/46/392712446.db2.gz KTNIUAXVQHZHJO-BDAKNGLRSA-N -1 0 324.318 -0.402 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647745797 392837261 /nfs/dbraw/zinc/83/72/61/392837261.db2.gz PLCWDYWRJUBQAQ-UHFFFAOYSA-N -1 0 318.355 -0.376 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)C[C@@]2(C(=O)[O-])CCSC2)C1=O ZINC000644538298 392777294 /nfs/dbraw/zinc/77/72/94/392777294.db2.gz NUEWHHZGAHPUGV-SDBXPKJASA-N -1 0 314.363 -0.152 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)C[C@]2(C(=O)[O-])CCSC2)C1=O ZINC000644538296 392777345 /nfs/dbraw/zinc/77/73/45/392777345.db2.gz NUEWHHZGAHPUGV-ISVAXAHUSA-N -1 0 314.363 -0.152 20 0 DBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)CCOCC1CC1 ZINC000644571488 392779391 /nfs/dbraw/zinc/77/93/91/392779391.db2.gz XOVXBBARGVDPMF-JTQLQIEISA-N -1 0 309.384 -0.100 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)NCCCc1ccccc1 ZINC000294463455 131835472 /nfs/dbraw/zinc/83/54/72/131835472.db2.gz CJHURXXWYCFIKF-UHFFFAOYSA-N -1 0 308.334 -0.047 20 0 DBADRM CNC(=O)NCC(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1 ZINC000647685241 392797253 /nfs/dbraw/zinc/79/72/53/392797253.db2.gz HSXRRDYODBPFIX-UHFFFAOYSA-N -1 0 316.339 -0.832 20 0 DBADRM COC(=O)N1CC(NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000497182406 392800611 /nfs/dbraw/zinc/80/06/11/392800611.db2.gz HYDLJGPJCMLKMA-UHFFFAOYSA-N -1 0 321.289 -0.110 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)N1CCCCC1 ZINC000021015585 392828890 /nfs/dbraw/zinc/82/88/90/392828890.db2.gz YHZABWAKYYAMDM-JTQLQIEISA-N -1 0 302.356 -0.274 20 0 DBADRM CN1CC[C@@H](C(=O)NCc2ccc(C(=O)[O-])o2)S1(=O)=O ZINC000647737206 392833700 /nfs/dbraw/zinc/83/37/00/392833700.db2.gz JIKZNYMIGLPWMQ-VIFPVBQESA-N -1 0 302.308 -0.372 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000647742993 392835872 /nfs/dbraw/zinc/83/58/72/392835872.db2.gz SHGYJKASOHDUNF-BBBLOLIVSA-N -1 0 304.368 -0.411 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000647742995 392836151 /nfs/dbraw/zinc/83/61/51/392836151.db2.gz SHGYJKASOHDUNF-OPRDCNLKSA-N -1 0 304.368 -0.411 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000647742728 392836180 /nfs/dbraw/zinc/83/61/80/392836180.db2.gz KBIPWIBDDVBKCO-BXKDBHETSA-N -1 0 320.367 -0.888 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N(C)CCN1CCCS1(=O)=O ZINC000647784311 392888633 /nfs/dbraw/zinc/88/86/33/392888633.db2.gz QEKUQFMEVWUARH-JTQLQIEISA-N -1 0 306.384 -0.163 20 0 DBADRM COc1ncnc(OC)c1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000262855385 392904606 /nfs/dbraw/zinc/90/46/06/392904606.db2.gz CLTHEINGFJNGRK-SFYZADRCSA-N -1 0 311.294 -0.192 20 0 DBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000262427997 392851980 /nfs/dbraw/zinc/85/19/80/392851980.db2.gz RLJWYSSONWENPB-QWRGUYRKSA-N -1 0 318.395 -0.020 20 0 DBADRM CC(C)(CC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000338110604 392854004 /nfs/dbraw/zinc/85/40/04/392854004.db2.gz DXLMUGDMGGJRQW-SECBINFHSA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)C1 ZINC000647769105 392858082 /nfs/dbraw/zinc/85/80/82/392858082.db2.gz LFCFSSAFSJWQIH-GXSJLCMTSA-N -1 0 308.338 -0.080 20 0 DBADRM CC1CCN(C(=O)C(=O)N[C@H](C(=O)[O-])c2ccnn2C)CC1 ZINC000647769213 392859697 /nfs/dbraw/zinc/85/96/97/392859697.db2.gz OMMXAEGUJZKUGA-NSHDSACASA-N -1 0 308.338 -0.080 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000647773406 392868173 /nfs/dbraw/zinc/86/81/73/392868173.db2.gz YBHJCVFXCMEPSI-PSASIEDQSA-N -1 0 311.342 -0.111 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)ccn1 ZINC000647779740 392873713 /nfs/dbraw/zinc/87/37/13/392873713.db2.gz LUGBZQVJIUQTIB-DTWKUNHWSA-N -1 0 313.335 -0.288 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)CCOCc1ccccc1 ZINC000297090001 131999717 /nfs/dbraw/zinc/99/97/17/131999717.db2.gz YHQZMZQBCJSABK-UHFFFAOYSA-N -1 0 317.363 -0.088 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cn(C)cn1 ZINC000647927934 392936160 /nfs/dbraw/zinc/93/61/60/392936160.db2.gz AERCYTBGJCSYLV-NSHDSACASA-N -1 0 303.340 -0.326 20 0 DBADRM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)N(C)CC(N)=O)c1 ZINC000273740137 392937622 /nfs/dbraw/zinc/93/76/22/392937622.db2.gz SYZQSIAMLOQSKK-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM CN1C[C@@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)CC1=O ZINC000299165641 132092089 /nfs/dbraw/zinc/09/20/89/132092089.db2.gz UIDFFBFLCARASD-YFKPBYRVSA-N -1 0 319.368 -0.674 20 0 DBADRM CN1C[C@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)CC1=O ZINC000299165637 132092530 /nfs/dbraw/zinc/09/25/30/132092530.db2.gz UIDFFBFLCARASD-RXMQYKEDSA-N -1 0 319.368 -0.674 20 0 DBADRM COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)[O-])C1=O ZINC000274203146 392939556 /nfs/dbraw/zinc/93/95/56/392939556.db2.gz UOVOKOOEBROCLE-SSDOTTSWSA-N -1 0 312.303 -0.159 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)Cc1noc2ccccc21 ZINC000274949176 392940624 /nfs/dbraw/zinc/94/06/24/392940624.db2.gz SFOAKUPVKNBCIC-QMMMGPOBSA-N -1 0 300.292 -0.307 20 0 DBADRM COCCc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1 ZINC000275219425 392942366 /nfs/dbraw/zinc/94/23/66/392942366.db2.gz DDIAJDDYXZWRDC-UHFFFAOYSA-N -1 0 317.363 -0.057 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000277554736 392948717 /nfs/dbraw/zinc/94/87/17/392948717.db2.gz UPGNKRMECGCRRY-ZCFIWIBFSA-N -1 0 311.260 -0.844 20 0 DBADRM CCOC[C@H](NS(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-] ZINC000290614941 392961837 /nfs/dbraw/zinc/96/18/37/392961837.db2.gz JVQMIFWAWMQBDC-QMMMGPOBSA-N -1 0 321.307 -0.166 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C)CC(=O)[O-] ZINC000298112963 392970780 /nfs/dbraw/zinc/97/07/80/392970780.db2.gz VPNBHAMLEGLREA-ZCFIWIBFSA-N -1 0 305.312 -0.272 20 0 DBADRM CC(C)NS(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417448591 393046965 /nfs/dbraw/zinc/04/69/65/393046965.db2.gz VHPCRXFBLCBVQK-ZJUUUORDSA-N -1 0 321.399 -0.471 20 0 DBADRM CCCNS(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417448800 393046969 /nfs/dbraw/zinc/04/69/69/393046969.db2.gz WLVULTNPZOINNI-ZJUUUORDSA-N -1 0 321.399 -0.470 20 0 DBADRM N=c1[n-]nc(S(=O)(=O)CC(=O)NC2CCCC2)n1C1CC1 ZINC000647997280 393067367 /nfs/dbraw/zinc/06/73/67/393067367.db2.gz UVIGDPCINIKLAM-UHFFFAOYSA-N -1 0 313.383 -0.142 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NC1(c2nnn[n-]2)CC1 ZINC000348811210 393170385 /nfs/dbraw/zinc/17/03/85/393170385.db2.gz NHQVXFNATAMVBC-DTORHVGOSA-N -1 0 316.321 -0.744 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)nc1C ZINC000348888979 393179496 /nfs/dbraw/zinc/17/94/96/393179496.db2.gz SDVNJUVJWNBYNR-UHFFFAOYSA-N -1 0 312.355 -0.306 20 0 DBADRM NC(=O)NCc1ccc(C(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000348290428 393137877 /nfs/dbraw/zinc/13/78/77/393137877.db2.gz FACFPTCZZMMLKH-UHFFFAOYSA-N -1 0 301.310 -0.213 20 0 DBADRM Cc1cn2c(ncc(C(=O)NC3(c4nnn[n-]4)CC3)c2=O)s1 ZINC000348291914 393137929 /nfs/dbraw/zinc/13/79/29/393137929.db2.gz JOBHFMLAQJZGKE-UHFFFAOYSA-N -1 0 317.334 -0.003 20 0 DBADRM Cc1ccc(S(N)(=O)=O)c(C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000348557000 393153233 /nfs/dbraw/zinc/15/32/33/393153233.db2.gz PSVQKHPXZJHTMN-UHFFFAOYSA-N -1 0 311.323 -0.604 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cn1 ZINC000349991529 393228250 /nfs/dbraw/zinc/22/82/50/393228250.db2.gz PIRWJXPTAAVTMS-UHFFFAOYSA-N -1 0 311.323 -0.427 20 0 DBADRM C[C@@H](C(=O)N1CCC(C)CC1)S(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000350184879 393232075 /nfs/dbraw/zinc/23/20/75/393232075.db2.gz RUJOCDVCGXHEAJ-QMMMGPOBSA-N -1 0 302.356 -0.069 20 0 DBADRM O=C(CS(=O)(=O)c1n[nH]c(=O)[n-]1)NCc1cccs1 ZINC000350177752 393232484 /nfs/dbraw/zinc/23/24/84/393232484.db2.gz UJRKQBRIIOEVQC-UHFFFAOYSA-N -1 0 302.337 -0.338 20 0 DBADRM CCN(CC)C(=O)CS(=O)(=O)c1ncc(C(=O)OC)[n-]1 ZINC000350147263 393233184 /nfs/dbraw/zinc/23/31/84/393233184.db2.gz ONRRZFSJLXDZOU-UHFFFAOYSA-N -1 0 303.340 -0.162 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)NCCC(=O)NC(N)=O)s[n-]1 ZINC000350624133 393241941 /nfs/dbraw/zinc/24/19/41/393241941.db2.gz YWWSLJQNPGCAHV-YFKPBYRVSA-N -1 0 316.343 -0.626 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)NCCNS(C)(=O)=O)s[n-]1 ZINC000350639546 393243723 /nfs/dbraw/zinc/24/37/23/393243723.db2.gz PVSPGTOIULWLPE-LURJTMIESA-N -1 0 323.400 -0.662 20 0 DBADRM C[C@@](O)(CNC(=O)[C@H]1CSCN1C(=O)C1CCC1)C(=O)[O-] ZINC000349084210 393190443 /nfs/dbraw/zinc/19/04/43/393190443.db2.gz VFPQNRMSPYGTRY-NOZJJQNGSA-N -1 0 316.379 -0.360 20 0 DBADRM C[C@](O)(CNC(=O)COc1ccc2c(c1)CCC(=O)N2)C(=O)[O-] ZINC000349102584 393192263 /nfs/dbraw/zinc/19/22/63/393192263.db2.gz LPEAERKAIBDPKY-HNNXBMFYSA-N -1 0 322.317 -0.098 20 0 DBADRM CN(CCCNC(=O)CSc1n[nH]c(=O)[n-]1)S(C)(=O)=O ZINC000351408419 393273193 /nfs/dbraw/zinc/27/31/93/393273193.db2.gz ZFWKXNSYXRAAFJ-UHFFFAOYSA-N -1 0 323.400 -1.000 20 0 DBADRM COC(=O)[C@H](O)CNC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000352527017 393382964 /nfs/dbraw/zinc/38/29/64/393382964.db2.gz VHGPVOZEXPWKHW-GFCCVEGCSA-N -1 0 319.317 -0.262 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)Nc1nc[nH]n1 ZINC000352600784 393389110 /nfs/dbraw/zinc/38/91/10/393389110.db2.gz VJWYQXGACDAFPG-UHFFFAOYSA-N -1 0 317.277 0.000 20 0 DBADRM CN=c1[n-]nc(CC(=O)N=c2ccn(CCN(C)C)[nH]2)s1 ZINC000352436908 393376036 /nfs/dbraw/zinc/37/60/36/393376036.db2.gz AFIRKXSVVYXLQU-UHFFFAOYSA-N -1 0 309.399 -0.637 20 0 DBADRM C[C@@H](CN(C)C(=O)CNC(=O)NCc1ccco1)c1nnn[n-]1 ZINC000352472909 393377841 /nfs/dbraw/zinc/37/78/41/393377841.db2.gz LVWBZIWAZYOVMH-VIFPVBQESA-N -1 0 321.341 -0.146 20 0 DBADRM O=C(CN1CCOC[C@H]1C(=O)[O-])NC[C@@H]1Cc2ccccc2O1 ZINC000648425783 393469712 /nfs/dbraw/zinc/46/97/12/393469712.db2.gz PLUGVAPZOGLGOE-STQMWFEESA-N -1 0 320.345 -0.108 20 0 DBADRM O=C(CN1CCOC[C@H]1C(=O)[O-])NCc1ccc2c(c1)OCO2 ZINC000648426784 393472142 /nfs/dbraw/zinc/47/21/42/393472142.db2.gz XPHXUJZZLXCMRG-NSHDSACASA-N -1 0 322.317 -0.183 20 0 DBADRM NC(=O)c1cccc(OCCC(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000648451038 393491249 /nfs/dbraw/zinc/49/12/49/393491249.db2.gz AKWWDPSUBWLYOA-GFCCVEGCSA-N -1 0 322.317 -0.134 20 0 DBADRM COc1ccc(F)cc1S(=O)(=O)N[C@@H]1CC(=O)N(C)C1=O ZINC000645695809 393494386 /nfs/dbraw/zinc/49/43/86/393494386.db2.gz KUGIJMYUIOXXHJ-MRVPVSSYSA-N -1 0 316.310 -0.130 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000262370635 393596872 /nfs/dbraw/zinc/59/68/72/393596872.db2.gz FIAZEJMJMUFYGG-LBPRGKRZSA-N -1 0 324.399 -0.377 20 0 DBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)CCOCC2CC2)n1 ZINC000424210848 393633657 /nfs/dbraw/zinc/63/36/57/393633657.db2.gz VHTTYSGGWMVSLS-UHFFFAOYSA-N -1 0 318.355 -0.381 20 0 DBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cccn2C)n1 ZINC000424223056 393634514 /nfs/dbraw/zinc/63/45/14/393634514.db2.gz OCIIEVFILDHPQM-UHFFFAOYSA-N -1 0 313.339 -0.020 20 0 DBADRM CCN1CCN(CC(=O)NCCC(C)(C)C(=O)[O-])C(=O)C1=O ZINC000424239492 393636040 /nfs/dbraw/zinc/63/60/40/393636040.db2.gz WXGYDNUMYYJBCR-UHFFFAOYSA-N -1 0 313.354 -0.706 20 0 DBADRM C[C@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H]1C(=O)[O-] ZINC000424254667 393636209 /nfs/dbraw/zinc/63/62/09/393636209.db2.gz LHKJAICVIXDMDG-CBAPKCEASA-N -1 0 311.294 -0.881 20 0 DBADRM CCc1nnc(N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])nc1CC ZINC000424371703 393638161 /nfs/dbraw/zinc/63/81/61/393638161.db2.gz GFVMAGVTWJQUQF-SECBINFHSA-N -1 0 319.325 -0.233 20 0 DBADRM COCCN1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1=O ZINC000424402438 393638388 /nfs/dbraw/zinc/63/83/88/393638388.db2.gz HGVRIGCVMZZKLF-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM CC(C)(CCNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)C(=O)[O-] ZINC000424402591 393638464 /nfs/dbraw/zinc/63/84/64/393638464.db2.gz HRJJRCFJYSKKIE-MRVPVSSYSA-N -1 0 312.326 -0.567 20 0 DBADRM CC[C@H](C)CS(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424394850 393638638 /nfs/dbraw/zinc/63/86/38/393638638.db2.gz UJUPMKSQCMLWRF-YUMQZZPRSA-N -1 0 318.355 -0.372 20 0 DBADRM Cc1ccc(O)c(CN2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])n1 ZINC000424412179 393639551 /nfs/dbraw/zinc/63/95/51/393639551.db2.gz MPSRKFNLFNNMTK-VIFPVBQESA-N -1 0 305.294 -0.138 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)NCC(=O)N(C)C)C(=O)[O-] ZINC000424432443 393639778 /nfs/dbraw/zinc/63/97/78/393639778.db2.gz AGAVKINLPLIRHC-UHFFFAOYSA-N -1 0 301.343 -0.802 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424485637 393643525 /nfs/dbraw/zinc/64/35/25/393643525.db2.gz YRFNQEOFOCFDNV-SECBINFHSA-N -1 0 314.338 -0.375 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1CCC[C@H]1CO)C(=O)[O-] ZINC000424480132 393643731 /nfs/dbraw/zinc/64/37/31/393643731.db2.gz CNSXMEFPWNRDDO-JTQLQIEISA-N -1 0 300.355 -0.023 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@](C)(O)C1)C(=O)[O-] ZINC000424484993 393643757 /nfs/dbraw/zinc/64/37/57/393643757.db2.gz WILHOMRZWJTNDS-YGRLFVJLSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CCC[C@@](C)(O)C1)C(=O)[O-] ZINC000424483792 393643867 /nfs/dbraw/zinc/64/38/67/393643867.db2.gz RIQSBMJKAWUULT-CQSZACIVSA-N -1 0 300.355 -0.023 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1CO)C(=O)[O-] ZINC000424476976 393643913 /nfs/dbraw/zinc/64/39/13/393643913.db2.gz DQSYWLNMDJPINY-GHMZBOCLSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@](F)(CO)C1)C(=O)[O-] ZINC000424486000 393644311 /nfs/dbraw/zinc/64/43/11/393644311.db2.gz DPWCKZWPCUCOGL-IINYFYTJSA-N -1 0 318.345 -0.218 20 0 DBADRM C[C@H]1c2nncn2CCN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424484631 393644366 /nfs/dbraw/zinc/64/43/66/393644366.db2.gz VFSUDUHESGRPGP-VIFPVBQESA-N -1 0 323.353 -0.202 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424516069 393644928 /nfs/dbraw/zinc/64/49/28/393644928.db2.gz JBKVOZXAPDXTGG-UHFFFAOYSA-N -1 0 301.343 -0.754 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NC[C@]1(C)CCC(=O)N1)C(=O)[O-] ZINC000424488448 393645121 /nfs/dbraw/zinc/64/51/21/393645121.db2.gz MMULVIXIYGWDGM-AWEZNQCLSA-N -1 0 313.354 -0.612 20 0 DBADRM CN1CCC[C@@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1=O ZINC000424508522 393645282 /nfs/dbraw/zinc/64/52/82/393645282.db2.gz VVSAPYAIXOGXMP-SECBINFHSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCc1cnn(C)c1)C(=O)[O-] ZINC000424515195 393645288 /nfs/dbraw/zinc/64/52/88/393645288.db2.gz HVEFCSUQWPANLS-GFCCVEGCSA-N -1 0 324.381 -0.058 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1CC[C@@](C)(O)C1)C(=O)[O-] ZINC000424487738 393645326 /nfs/dbraw/zinc/64/53/26/393645326.db2.gz IPPJCIQZAQSKMJ-CYBMUJFWSA-N -1 0 300.355 -0.023 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H]1COCCO1)C(=O)[O-] ZINC000424525007 393645895 /nfs/dbraw/zinc/64/58/95/393645895.db2.gz VUKVLJJAXNHRPV-QWRGUYRKSA-N -1 0 316.354 -0.619 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCC(=O)N(C)C)C(=O)[O-] ZINC000424527693 393646409 /nfs/dbraw/zinc/64/64/09/393646409.db2.gz XXRHSTUUNAXVFP-SNVBAGLBSA-N -1 0 315.370 -0.556 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1COCCO1)C(=O)[O-] ZINC000424525006 393646515 /nfs/dbraw/zinc/64/65/15/393646515.db2.gz VUKVLJJAXNHRPV-MNOVXSKESA-N -1 0 316.354 -0.619 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1C[C@@H](O)C[C@H]1CO ZINC000613090644 393650733 /nfs/dbraw/zinc/65/07/33/393650733.db2.gz HKSMQYOQGXBDOB-QWRGUYRKSA-N -1 0 305.290 -0.402 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCCOC[C@@H]1CCCO1 ZINC000645945988 393736022 /nfs/dbraw/zinc/73/60/22/393736022.db2.gz YBKCHEBQYKLFEU-NSHDSACASA-N -1 0 324.399 -0.187 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NCCOC[C@H]1CCOC1 ZINC000645964802 393737020 /nfs/dbraw/zinc/73/70/20/393737020.db2.gz VKMKNSJSUIYWKT-WDEREUQCSA-N -1 0 322.383 -0.577 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000645987974 393738600 /nfs/dbraw/zinc/73/86/00/393738600.db2.gz FIJOREWRQLCDAB-NXEZZACHSA-N -1 0 310.372 -0.579 20 0 DBADRM CCO[C@@H]1C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@@H]1OC ZINC000645996419 393738722 /nfs/dbraw/zinc/73/87/22/393738722.db2.gz GYHBPXBUWOKALG-KKZNHRDASA-N -1 0 310.372 -0.580 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@]3(CCOC3)C2)cn1 ZINC000645988529 393739009 /nfs/dbraw/zinc/73/90/09/393739009.db2.gz QNWROZAUKYYAKO-LBPRGKRZSA-N -1 0 315.351 -0.231 20 0 DBADRM O=C([O-])CN(CC1CC1)S(=O)(=O)CCCN1CCOCC1 ZINC000646006049 393740282 /nfs/dbraw/zinc/74/02/82/393740282.db2.gz RVQYGONBNUATSU-UHFFFAOYSA-N -1 0 320.411 -0.165 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)CCO1 ZINC000646024785 393741896 /nfs/dbraw/zinc/74/18/96/393741896.db2.gz NTBXDODFJWTHJM-SNVBAGLBSA-N -1 0 322.383 -0.483 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)N1CCOC(C)(C)C1 ZINC000646029761 393741982 /nfs/dbraw/zinc/74/19/82/393741982.db2.gz HSIUKJVFMBPTSK-LBPRGKRZSA-N -1 0 324.399 -0.189 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCO1 ZINC000646024784 393742079 /nfs/dbraw/zinc/74/20/79/393742079.db2.gz NTBXDODFJWTHJM-JTQLQIEISA-N -1 0 322.383 -0.483 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-] ZINC000646031293 393743020 /nfs/dbraw/zinc/74/30/20/393743020.db2.gz BKPJCKDOIQDLMF-MRVPVSSYSA-N -1 0 320.371 -0.248 20 0 DBADRM Cn1nncc1S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000646043395 393743597 /nfs/dbraw/zinc/74/35/97/393743597.db2.gz SKBIGFRKSIXUOR-XKSSXDPKSA-N -1 0 300.340 -0.311 20 0 DBADRM CC(C)[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnnn2C)C1 ZINC000646044239 393743817 /nfs/dbraw/zinc/74/38/17/393743817.db2.gz NCYPQOVIDIIZFB-NSHDSACASA-N -1 0 302.356 -0.064 20 0 DBADRM Cn1nncc1S(=O)(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000646048858 393746909 /nfs/dbraw/zinc/74/69/09/393746909.db2.gz IZGTWFYPCSNSMK-UHFFFAOYSA-N -1 0 317.352 -0.509 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000646152488 393755497 /nfs/dbraw/zinc/75/54/97/393755497.db2.gz JPOICYZUXHDDLK-VHSXEESVSA-N -1 0 313.354 -0.084 20 0 DBADRM CS(=O)(=O)NCC1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000646165949 393755511 /nfs/dbraw/zinc/75/55/11/393755511.db2.gz GYWKXPAEAISTFH-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646168774 393755546 /nfs/dbraw/zinc/75/55/46/393755546.db2.gz QYTMRFSXAKVKGJ-QMTHXVAHSA-N -1 0 316.354 -0.293 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646169393 393755548 /nfs/dbraw/zinc/75/55/48/393755548.db2.gz XZVUGMWLIPHVGT-JTQLQIEISA-N -1 0 313.354 -0.260 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000646152487 393755597 /nfs/dbraw/zinc/75/55/97/393755597.db2.gz JPOICYZUXHDDLK-UWVGGRQHSA-N -1 0 313.354 -0.084 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000646178556 393755967 /nfs/dbraw/zinc/75/59/67/393755967.db2.gz UJXRNMRBVVGNGS-AEJSXWLSSA-N -1 0 319.383 -0.298 20 0 DBADRM COC(=O)[C@@H]1CNC(=O)CN1Cc1nc(=O)c2sccc2[n-]1 ZINC000447909346 393726780 /nfs/dbraw/zinc/72/67/80/393726780.db2.gz BMIWAYBYTOHQKV-QMMMGPOBSA-N -1 0 322.346 -0.130 20 0 DBADRM COC(=O)N(C)CCCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000491227067 393807495 /nfs/dbraw/zinc/80/74/95/393807495.db2.gz YTLKOWUATBTHSR-UHFFFAOYSA-N -1 0 319.343 -0.375 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000491355258 393811636 /nfs/dbraw/zinc/81/16/36/393811636.db2.gz PPUNZJCTSBGAGG-QMMMGPOBSA-N -1 0 310.372 -0.008 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)OC)C(C)C ZINC000491488964 393815513 /nfs/dbraw/zinc/81/55/13/393815513.db2.gz RYZGCSOSJGNFIV-BDAKNGLRSA-N -1 0 310.372 -0.152 20 0 DBADRM Cc1c(/C=C\C(=O)[N-]S(=O)(=O)c2ccnn2C)cnn1C ZINC000492596013 393832499 /nfs/dbraw/zinc/83/24/99/393832499.db2.gz WIGPTNQSLQNDEG-PLNGDYQASA-N -1 0 309.351 -0.020 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000275324744 292033170 /nfs/dbraw/zinc/03/31/70/292033170.db2.gz PSLOHCUJMXQEKH-HTQZYQBOSA-N -1 0 319.291 -0.725 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCC(=O)[O-])[C@H]1OC ZINC000420549835 286250171 /nfs/dbraw/zinc/25/01/71/286250171.db2.gz CBCMJQDNGKPIRF-FXPVBKGRSA-N -1 0 302.327 -0.772 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)NC1(C(=O)[O-])CCC1 ZINC000263160788 292370993 /nfs/dbraw/zinc/37/09/93/292370993.db2.gz OUOIQTDBBYFEAC-UHFFFAOYSA-N -1 0 308.356 -0.934 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000262198458 286646810 /nfs/dbraw/zinc/64/68/10/286646810.db2.gz OHIFZDXWPNEVER-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000262715559 286652160 /nfs/dbraw/zinc/65/21/60/286652160.db2.gz CNYRXLTYKLFOBR-MWLCHTKSSA-N -1 0 322.383 -0.736 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000364811374 292490063 /nfs/dbraw/zinc/49/00/63/292490063.db2.gz MNDDGBJFTSKSRW-LBPRGKRZSA-N -1 0 324.399 -0.235 20 0 DBADRM CC[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@]2(CCOC2)O1 ZINC000366522967 287177817 /nfs/dbraw/zinc/17/78/17/287177817.db2.gz SQMPNHLBDVGSKB-MEBBXXQBSA-N -1 0 323.349 -0.104 20 0 DBADRM CO[C@@](C)(CO)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000655208501 411628195 /nfs/dbraw/zinc/62/81/95/411628195.db2.gz CITFNBIYERSPLL-CYBMUJFWSA-N -1 0 308.294 -0.437 20 0 DBADRM CO[C@@](C)(CO)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000655213476 411630272 /nfs/dbraw/zinc/63/02/72/411630272.db2.gz UPVRTSXMNHRRKR-CQSZACIVSA-N -1 0 322.321 -0.128 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655244194 411636384 /nfs/dbraw/zinc/63/63/84/411636384.db2.gz OCBYJGFFXWABKO-MXWKQRLJSA-N -1 0 324.381 -0.287 20 0 DBADRM O=C1C[C@H](NCc2nnn[n-]2)C(=O)N1CCc1ccccc1F ZINC000653285650 411704467 /nfs/dbraw/zinc/70/44/67/411704467.db2.gz USHOKOVUCKUDHA-NSHDSACASA-N -1 0 318.312 -0.201 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000653291427 411705410 /nfs/dbraw/zinc/70/54/10/411705410.db2.gz FCMNOTDBLGBKAL-ZJUUUORDSA-N -1 0 308.338 -0.249 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC000659133349 411711328 /nfs/dbraw/zinc/71/13/28/411711328.db2.gz GULHWXQAKZLQKC-SECBINFHSA-N -1 0 311.342 -0.327 20 0 DBADRM CO[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000662911738 411658476 /nfs/dbraw/zinc/65/84/76/411658476.db2.gz HOZVARSUTXBLSG-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM Cn1nncc1S(=O)(=O)N(CC(=O)[O-])Cc1ccccn1 ZINC000650414804 411663747 /nfs/dbraw/zinc/66/37/47/411663747.db2.gz ZEALBSGYZMYZDX-UHFFFAOYSA-N -1 0 311.323 -0.514 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000663081765 411669458 /nfs/dbraw/zinc/66/94/58/411669458.db2.gz GQGPKQJHARLLKE-GFCCVEGCSA-N -1 0 306.384 -0.067 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000650517635 411670274 /nfs/dbraw/zinc/67/02/74/411670274.db2.gz QYYSXVDULOSWTG-LBPRGKRZSA-N -1 0 321.381 -0.080 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663145875 411670302 /nfs/dbraw/zinc/67/03/02/411670302.db2.gz AAQLADOMSDWLRO-SECBINFHSA-N -1 0 306.384 -0.069 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663145876 411670719 /nfs/dbraw/zinc/67/07/19/411670719.db2.gz AAQLADOMSDWLRO-VIFPVBQESA-N -1 0 306.384 -0.069 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000650517634 411670768 /nfs/dbraw/zinc/67/07/68/411670768.db2.gz QYYSXVDULOSWTG-GFCCVEGCSA-N -1 0 321.381 -0.080 20 0 DBADRM Cn1cc(S(=O)(=O)N(CC(=O)[O-])CC2CC2)cc1C(N)=O ZINC000036885557 411671808 /nfs/dbraw/zinc/67/18/08/411671808.db2.gz JFRQOUUVAKIDFK-UHFFFAOYSA-N -1 0 315.351 -0.391 20 0 DBADRM CN(Cc1cnn(C)c1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000037831447 411679898 /nfs/dbraw/zinc/67/98/98/411679898.db2.gz XLCOPTVUJCTPAX-UHFFFAOYSA-N -1 0 313.339 -0.478 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CC[C@@](F)(CO)C1)C1CCC1 ZINC000663635659 411681658 /nfs/dbraw/zinc/68/16/58/411681658.db2.gz NEPVGGCJXCMUHV-HZMBPMFUSA-N -1 0 316.329 -0.464 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000650700830 411684369 /nfs/dbraw/zinc/68/43/69/411684369.db2.gz ZKNYJSLKGMUZBO-KNVOCYPGSA-N -1 0 302.308 -0.172 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1=O ZINC000659054635 411687025 /nfs/dbraw/zinc/68/70/25/411687025.db2.gz QSZYVAWTWMNOQW-SSDOTTSWSA-N -1 0 306.278 -0.935 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCO1 ZINC000659053492 411687431 /nfs/dbraw/zinc/68/74/31/411687431.db2.gz IJWDCQYWRYGUES-SECBINFHSA-N -1 0 323.305 -0.408 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCC(CO)CC1 ZINC000659050267 411687803 /nfs/dbraw/zinc/68/78/03/411687803.db2.gz JKZIONZRWHLUOX-UHFFFAOYSA-N -1 0 307.306 -0.051 20 0 DBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C(N)=O ZINC000659057937 411688692 /nfs/dbraw/zinc/68/86/92/411688692.db2.gz LGEMJMULRMLLPN-MRVPVSSYSA-N -1 0 308.294 -0.656 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NC[C@H](O)C1CCC1 ZINC000659059170 411689186 /nfs/dbraw/zinc/68/91/86/411689186.db2.gz AABOHJLVTYTMKD-JTQLQIEISA-N -1 0 307.306 -0.005 20 0 DBADRM CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000659063301 411689258 /nfs/dbraw/zinc/68/92/58/411689258.db2.gz WCXNLXUUCDEUCM-MRVPVSSYSA-N -1 0 323.305 -0.661 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)[n-]n1 ZINC000650816443 411690256 /nfs/dbraw/zinc/69/02/56/411690256.db2.gz VNBLOMNSVSPDGT-VIFPVBQESA-N -1 0 319.365 -0.156 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@H]2CCCN(C(C)=O)C2)[n-]n1 ZINC000650814996 411690708 /nfs/dbraw/zinc/69/07/08/411690708.db2.gz FIZVTJGHDVUQNL-SNVBAGLBSA-N -1 0 305.338 -0.545 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)CCOC[C@@H]2CCCO2)[n-]n1 ZINC000650816093 411690943 /nfs/dbraw/zinc/69/09/43/411690943.db2.gz KAEVQJHVDRRDKS-JTQLQIEISA-N -1 0 308.338 -0.218 20 0 DBADRM CC[C@@H](C(=O)N=c1ccc(C(=O)NC)n[n-]1)N1CCCC1=O ZINC000650816692 411690963 /nfs/dbraw/zinc/69/09/63/411690963.db2.gz DCBZXDFPHNTMMP-JTQLQIEISA-N -1 0 305.338 -0.402 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)C2(S(C)(=O)=O)CCC2)[n-]n1 ZINC000650818492 411691038 /nfs/dbraw/zinc/69/10/38/411691038.db2.gz NBGHHIKFMPIZQJ-UHFFFAOYSA-N -1 0 312.351 -0.836 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)c2cn(C3CCC3)nn2)[n-]n1 ZINC000650819282 411691147 /nfs/dbraw/zinc/69/11/47/411691147.db2.gz OUXFGGNRWYGSSA-UHFFFAOYSA-N -1 0 301.310 -0.173 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[n-]n1 ZINC000650816442 411691359 /nfs/dbraw/zinc/69/13/59/411691359.db2.gz VNBLOMNSVSPDGT-SECBINFHSA-N -1 0 319.365 -0.156 20 0 DBADRM CCC[C@@H](NC(=O)[C@H]1CCCS(=O)(=O)C1)c1nnn[n-]1 ZINC000651461590 411746691 /nfs/dbraw/zinc/74/66/91/411746691.db2.gz CKILVWOQQWNKSE-DTWKUNHWSA-N -1 0 301.372 -0.018 20 0 DBADRM COCCN(CCOC)C(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651510658 411750851 /nfs/dbraw/zinc/75/08/51/411750851.db2.gz VJADGMVUJLJNSR-UHFFFAOYSA-N -1 0 313.358 -0.659 20 0 DBADRM O=C([O-])c1csc(CCNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC000652072156 411753302 /nfs/dbraw/zinc/75/33/02/411753302.db2.gz OXIVXFLPJLYCHB-LURJTMIESA-N -1 0 319.364 -0.808 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652051806 411753369 /nfs/dbraw/zinc/75/33/69/411753369.db2.gz QXEMRGVRGJEFRI-MMWGEVLESA-N -1 0 316.379 -0.078 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652056997 411753460 /nfs/dbraw/zinc/75/34/60/411753460.db2.gz PMFMCRHMBJRYJB-YUMQZZPRSA-N -1 0 308.381 -0.903 20 0 DBADRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652069256 411753662 /nfs/dbraw/zinc/75/36/62/411753662.db2.gz DOGZKSRCQOXYKM-WHFBIAKZSA-N -1 0 304.246 -0.800 20 0 DBADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652068544 411753727 /nfs/dbraw/zinc/75/37/27/411753727.db2.gz GWCXFWSJSSCUPZ-KXUCPTDWSA-N -1 0 304.368 -0.172 20 0 DBADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652068545 411753775 /nfs/dbraw/zinc/75/37/75/411753775.db2.gz GWCXFWSJSSCUPZ-UTLUCORTSA-N -1 0 304.368 -0.172 20 0 DBADRM O=C([O-])C1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CCSCC1 ZINC000652062302 411753937 /nfs/dbraw/zinc/75/39/37/411753937.db2.gz FLMWQNCCILIAQB-ZETCQYMHSA-N -1 0 308.381 -0.855 20 0 DBADRM C[C@](NC(=O)[C@@H]1CCS(=O)(=O)N1)(C(=O)[O-])c1ccccc1 ZINC000652056067 411753940 /nfs/dbraw/zinc/75/39/40/411753940.db2.gz VEDKZUNFQQZNHX-GXFFZTMASA-N -1 0 312.347 -0.206 20 0 DBADRM CN1CC[C@@H](C(=O)NC[C@H](CC2CC2)C(=O)[O-])S1(=O)=O ZINC000652098300 411756754 /nfs/dbraw/zinc/75/67/54/411756754.db2.gz WNYCNORINALDPY-UWVGGRQHSA-N -1 0 304.368 -0.363 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-] ZINC000652109677 411758151 /nfs/dbraw/zinc/75/81/51/411758151.db2.gz NMDISRGLOZPLND-SECBINFHSA-N -1 0 307.368 -0.050 20 0 DBADRM COC1(C[C@H](NC(=O)CS(=O)(=O)N(C)C)C(=O)[O-])CCC1 ZINC000652111109 411758368 /nfs/dbraw/zinc/75/83/68/411758368.db2.gz ONLCHLNPGOKZNP-VIFPVBQESA-N -1 0 322.383 -0.594 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCOCC3(CC3)C2)[n-]1 ZINC000651659044 411767863 /nfs/dbraw/zinc/76/78/63/411767863.db2.gz TWSPQWKHLPQFHJ-UHFFFAOYSA-N -1 0 307.354 -0.142 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)[n-]1 ZINC000651684991 411769029 /nfs/dbraw/zinc/76/90/29/411769029.db2.gz FBAXPDFYNFVHFI-NXEZZACHSA-N -1 0 322.369 -0.668 20 0 DBADRM CCC[C@H]1C(=O)NCCN1C(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651724902 411770838 /nfs/dbraw/zinc/77/08/38/411770838.db2.gz LPVFPHUWEYRECI-JTQLQIEISA-N -1 0 322.369 -0.654 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)[n-]1 ZINC000651745834 411772099 /nfs/dbraw/zinc/77/20/99/411772099.db2.gz YLOHBMGFBVNRFE-QMMMGPOBSA-N -1 0 317.296 -0.552 20 0 DBADRM O=C([O-])[C@]1(C(=O)NCCN2CCCS2(=O)=O)CC=CCC1 ZINC000653300564 411722647 /nfs/dbraw/zinc/72/26/47/411722647.db2.gz YTVWCAWGOYKQHG-CYBMUJFWSA-N -1 0 316.379 -0.051 20 0 DBADRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651201640 411723796 /nfs/dbraw/zinc/72/37/96/411723796.db2.gz ZDQYBCJIEMAZNV-YFKPBYRVSA-N -1 0 312.273 -0.211 20 0 DBADRM O=C(Nc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCS(=O)(=O)N1 ZINC000651225970 411724966 /nfs/dbraw/zinc/72/49/66/411724966.db2.gz KBYQJRBCTMWNCT-SECBINFHSA-N -1 0 308.323 -0.503 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000652618621 411807955 /nfs/dbraw/zinc/80/79/55/411807955.db2.gz QDMVECJTPBNGNI-OCAPTIKFSA-N -1 0 323.280 -0.158 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653330194 411809867 /nfs/dbraw/zinc/80/98/67/411809867.db2.gz BJUZEZSOFHZQLV-GHMZBOCLSA-N -1 0 312.347 -0.035 20 0 DBADRM C[C@@H](COCC1CC1)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000652655656 411810100 /nfs/dbraw/zinc/81/01/00/411810100.db2.gz JLVRJVNSTLODRZ-ONGXEEELSA-N -1 0 314.338 -0.770 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@@H](C)CO1 ZINC000652662090 411810271 /nfs/dbraw/zinc/81/02/71/411810271.db2.gz IALALBLZRXFAOG-HBNTYKKESA-N -1 0 314.338 -0.676 20 0 DBADRM CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000652655920 411810380 /nfs/dbraw/zinc/81/03/80/411810380.db2.gz PKMROQSHVMKYSL-GMTAPVOTSA-N -1 0 314.338 -0.628 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1C(=O)[O-] ZINC000652655905 411810421 /nfs/dbraw/zinc/81/04/21/411810421.db2.gz PDQBAPADNYVXEK-OOCWMUITSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@H](COCC1CC1)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000652655653 411810478 /nfs/dbraw/zinc/81/04/78/411810478.db2.gz JLVRJVNSTLODRZ-GXSJLCMTSA-N -1 0 314.338 -0.770 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC3(F)F)C2)CCO1 ZINC000652660946 411810677 /nfs/dbraw/zinc/81/06/77/411810677.db2.gz YJIUCMMYQAUSAV-QPUJVOFHSA-N -1 0 318.276 -0.444 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC3(F)F)C2)CCO1 ZINC000652660945 411810696 /nfs/dbraw/zinc/81/06/96/411810696.db2.gz YJIUCMMYQAUSAV-PRHODGIISA-N -1 0 318.276 -0.444 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000653335712 411811955 /nfs/dbraw/zinc/81/19/55/411811955.db2.gz VGCHRBKKXMDOFH-ZCFIWIBFSA-N -1 0 304.299 -0.190 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000653341042 411814323 /nfs/dbraw/zinc/81/43/23/411814323.db2.gz YMPNGSCKYIOWIT-SECBINFHSA-N -1 0 307.372 -0.777 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000653340918 411814632 /nfs/dbraw/zinc/81/46/32/411814632.db2.gz VFAKXIOYNIDMCC-SECBINFHSA-N -1 0 318.355 -0.758 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CCCS1(=O)=O ZINC000655545287 411817599 /nfs/dbraw/zinc/81/75/99/411817599.db2.gz BMQPDADLOJAGSX-BXKDBHETSA-N -1 0 305.352 -0.344 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000653344929 411818094 /nfs/dbraw/zinc/81/80/94/411818094.db2.gz GYOSCTNQSRALRW-SECBINFHSA-N -1 0 301.324 -0.336 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000653345494 411818591 /nfs/dbraw/zinc/81/85/91/411818591.db2.gz UMFYYGAGSARJMM-QMMMGPOBSA-N -1 0 305.294 -0.237 20 0 DBADRM C[C@@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ncn(C)n1 ZINC000659401565 411821217 /nfs/dbraw/zinc/82/12/17/411821217.db2.gz LYLDYSUIBBRFIW-JRKPZEMJSA-N -1 0 309.326 -0.381 20 0 DBADRM C[C@@](CCF)(NC(=O)Cn1nc2ccccn2c1=O)C(=O)[O-] ZINC000659211387 411821441 /nfs/dbraw/zinc/82/14/41/411821441.db2.gz CQJJUXRZKRJAPT-ZDUSSCGKSA-N -1 0 310.285 -0.185 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)CS1(=O)=O ZINC000659414621 411823870 /nfs/dbraw/zinc/82/38/70/411823870.db2.gz VRKCBXQECKYCRC-OPRDCNLKSA-N -1 0 320.367 -0.553 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)[C@H]2CCS(=O)(=O)N2)c(F)c1 ZINC000659223794 411824899 /nfs/dbraw/zinc/82/48/99/411824899.db2.gz UIUSARWEUDPCEF-SNVBAGLBSA-N -1 0 316.310 -0.168 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659231329 411827497 /nfs/dbraw/zinc/82/74/97/411827497.db2.gz OVIURTHLUFOSFH-PHIMTYICSA-N -1 0 313.354 -0.660 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC000655557601 411832973 /nfs/dbraw/zinc/83/29/73/411832973.db2.gz HDDHOMLJFKYYRY-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM C[C@@H](CNC(=O)c1ccc(CS(N)(=O)=O)cc1)C(=O)[O-] ZINC000655560503 411834622 /nfs/dbraw/zinc/83/46/22/411834622.db2.gz IDWWVZFTEUQYIK-QMMMGPOBSA-N -1 0 300.336 -0.074 20 0 DBADRM CC(C)[C@@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000655571406 411834680 /nfs/dbraw/zinc/83/46/80/411834680.db2.gz MWXZNCQYRJYUTF-SECBINFHSA-N -1 0 321.337 -0.397 20 0 DBADRM CC(C)[C@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000655571407 411834714 /nfs/dbraw/zinc/83/47/14/411834714.db2.gz MWXZNCQYRJYUTF-VIFPVBQESA-N -1 0 321.337 -0.397 20 0 DBADRM CC(C)[C@H](CNC(=O)c1ccnc2c(C(N)=O)cnn21)C(=O)[O-] ZINC000655563714 411834762 /nfs/dbraw/zinc/83/47/62/411834762.db2.gz BCIVLKDOWQHYQT-QMMMGPOBSA-N -1 0 319.321 -0.085 20 0 DBADRM Cc1nc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)nn1-c1nc[nH]n1 ZINC000655565480 411834935 /nfs/dbraw/zinc/83/49/35/411834935.db2.gz XPOWEJPPLBKLNV-MRVPVSSYSA-N -1 0 307.314 -0.220 20 0 DBADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC[C@H](C)C(=O)[O-] ZINC000655562217 411835157 /nfs/dbraw/zinc/83/51/57/411835157.db2.gz PZHPFPHWZVECMH-YFKPBYRVSA-N -1 0 304.324 -0.006 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655573780 411836060 /nfs/dbraw/zinc/83/60/60/411836060.db2.gz AGNHFHZDEQNIFQ-RGOKHQFPSA-N -1 0 318.395 -0.070 20 0 DBADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)C1(n2cnnn2)CCOCC1 ZINC000659243964 411836092 /nfs/dbraw/zinc/83/60/92/411836092.db2.gz XLHMKXDPXBMLCO-GXFFZTMASA-N -1 0 323.353 -0.062 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N(CC(=O)[O-])C1CCC1)c2=O ZINC000655593894 411836945 /nfs/dbraw/zinc/83/69/45/411836945.db2.gz WGTIKBDMFWUSLO-UHFFFAOYSA-N -1 0 319.321 -0.404 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N(CC(=O)[O-])C1CCC1 ZINC000655587505 411837146 /nfs/dbraw/zinc/83/71/46/411837146.db2.gz HKDVJNDHKBDZCO-UHFFFAOYSA-N -1 0 317.305 -0.093 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CCN1C(=O)CCC1=O ZINC000655600859 411838081 /nfs/dbraw/zinc/83/80/81/411838081.db2.gz ANWUDCSWBHFLCE-LLVKDONJSA-N -1 0 319.317 -0.267 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000054051415 411847199 /nfs/dbraw/zinc/84/71/99/411847199.db2.gz SGXOBEPONMGUKU-SECBINFHSA-N -1 0 300.336 -0.104 20 0 DBADRM COCC[C@@H](C)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659651181 411857991 /nfs/dbraw/zinc/85/79/91/411857991.db2.gz SXHDMSNQUAMIDQ-GPCCPHFNSA-N -1 0 314.338 -0.913 20 0 DBADRM COC[C@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)OC ZINC000659656110 411859001 /nfs/dbraw/zinc/85/90/01/411859001.db2.gz JENHTNZRKSEBAJ-VIFPVBQESA-N -1 0 302.327 -0.865 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCc2nccnc2C1)C(=O)[O-] ZINC000659660475 411859072 /nfs/dbraw/zinc/85/90/72/411859072.db2.gz AZVKLRDQTLFQBI-SNVBAGLBSA-N -1 0 320.349 -0.166 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000659660564 411859085 /nfs/dbraw/zinc/85/90/85/411859085.db2.gz LFUBGBPUBRXBJI-AXFHLTTASA-N -1 0 314.338 -0.770 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N(CC)[C@H](C)C(=O)[O-] ZINC000659769924 411887480 /nfs/dbraw/zinc/88/74/80/411887480.db2.gz LWISXPHFWAMRBZ-SECBINFHSA-N -1 0 310.372 -0.736 20 0 DBADRM CCN(C(=O)CNS(=O)(=O)CCOC(C)C)[C@@H](C)C(=O)[O-] ZINC000659772425 411887946 /nfs/dbraw/zinc/88/79/46/411887946.db2.gz ZECKXEALACDDNX-JTQLQIEISA-N -1 0 324.399 -0.348 20 0 DBADRM COc1cccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 ZINC000124099697 411888146 /nfs/dbraw/zinc/88/81/46/411888146.db2.gz HSURRSNQBYHWEO-JTQLQIEISA-N -1 0 316.335 -0.308 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])O2)CCN1S(C)(=O)=O ZINC000659198795 411896838 /nfs/dbraw/zinc/89/68/38/411896838.db2.gz NURXJSQOKYLCOC-OPRDCNLKSA-N -1 0 320.367 -0.889 20 0 DBADRM C[C@H]1CCCN(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)C1 ZINC000386870024 411926322 /nfs/dbraw/zinc/92/63/22/411926322.db2.gz XHHYSMOABGPJQF-JTQLQIEISA-N -1 0 306.384 -0.125 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CNc1ccccc1C(N)=O ZINC000653537227 411877046 /nfs/dbraw/zinc/87/70/46/411877046.db2.gz NJASWCFJRAYPFG-UHFFFAOYSA-N -1 0 309.322 -0.243 20 0 DBADRM CC(C)(C)n1nnc(CNC(=O)N[C@]2(C(=O)[O-])CCOC2)n1 ZINC000653532065 411878195 /nfs/dbraw/zinc/87/81/95/411878195.db2.gz FWKAJILVKABKDS-GFCCVEGCSA-N -1 0 312.330 -0.529 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC000400178324 411883095 /nfs/dbraw/zinc/88/30/95/411883095.db2.gz FVKWUNHJTFJQOZ-BDAKNGLRSA-N -1 0 305.356 -0.721 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)c1c([O-])cc(F)cc1F ZINC000655082106 411967473 /nfs/dbraw/zinc/96/74/73/411967473.db2.gz YBWSKLBMDCVIEP-UHFFFAOYSA-N -1 0 323.321 -0.204 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000655868510 411974723 /nfs/dbraw/zinc/97/47/23/411974723.db2.gz SWGGOVUWQWBZSK-SECBINFHSA-N -1 0 314.342 -0.416 20 0 DBADRM CC[C@H](NC(=O)NC[C@H](C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000655871013 411975355 /nfs/dbraw/zinc/97/53/55/411975355.db2.gz ARESFDXITNHKEO-UWVGGRQHSA-N -1 0 301.343 -0.356 20 0 DBADRM C[C@H](CNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000655874096 411975672 /nfs/dbraw/zinc/97/56/72/411975672.db2.gz ZSISOKMZVPNTMN-RKDXNWHRSA-N -1 0 307.372 -0.712 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000655887362 411976109 /nfs/dbraw/zinc/97/61/09/411976109.db2.gz LVHWIUYRMWIYBN-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H](CNC(=O)N(C)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000655882813 411976302 /nfs/dbraw/zinc/97/63/02/411976302.db2.gz OYWYHFDFQJCRIM-SECBINFHSA-N -1 0 307.372 -0.616 20 0 DBADRM C[C@@H](CNC(=O)NC[C@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000655879377 411976460 /nfs/dbraw/zinc/97/64/60/411976460.db2.gz QCHUBZGWBDENAK-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H](CNC(=O)N1CCC(CNS(C)(=O)=O)CC1)C(=O)[O-] ZINC000655881719 411976763 /nfs/dbraw/zinc/97/67/63/411976763.db2.gz QBORNOPBDLXXAY-VIFPVBQESA-N -1 0 321.399 -0.322 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-]CC(F)(F)CO)[C@@H]1CCOC1 ZINC000656963829 412019621 /nfs/dbraw/zinc/01/96/21/412019621.db2.gz SLPPUXNIUSPPKZ-BDAKNGLRSA-N -1 0 303.327 -0.415 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1nnc2ccccn21)C(=O)[O-] ZINC000655979018 411981298 /nfs/dbraw/zinc/98/12/98/411981298.db2.gz WWFMEXQNMANRMP-IUCAKERBSA-N -1 0 319.321 -0.257 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)Cn1ccnc1)C(=O)[O-] ZINC000655980425 411981382 /nfs/dbraw/zinc/98/13/82/411981382.db2.gz FDNOOXAIMGSRLY-QWRGUYRKSA-N -1 0 310.354 -0.139 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1cccnc1N(C)C)C(=O)[O-] ZINC000655980233 411982157 /nfs/dbraw/zinc/98/21/57/411982157.db2.gz QKPVZJHKGFIBJA-SECBINFHSA-N -1 0 308.338 -0.399 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1)C(=O)[O-] ZINC000655982515 411982259 /nfs/dbraw/zinc/98/22/59/411982259.db2.gz VVNFAVJANLMHIQ-QWRGUYRKSA-N -1 0 322.365 -0.144 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCCn1cccn1)C(=O)[O-] ZINC000655977095 411982374 /nfs/dbraw/zinc/98/23/74/411982374.db2.gz CEFAYWLRJVXUSD-LLVKDONJSA-N -1 0 310.354 -0.138 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)Cn1cncn1)C(=O)[O-] ZINC000655983087 411982380 /nfs/dbraw/zinc/98/23/80/411982380.db2.gz FMQFOGZYZSNWPN-VHSXEESVSA-N -1 0 311.342 -0.744 20 0 DBADRM Cc1cc(C)n(CCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-])n1 ZINC000655977973 411982437 /nfs/dbraw/zinc/98/24/37/411982437.db2.gz MISRAXGEVJPUBA-VIFPVBQESA-N -1 0 310.354 -0.157 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCCC(=O)N(C)C)C(=O)[O-] ZINC000655983206 411982445 /nfs/dbraw/zinc/98/24/45/411982445.db2.gz HWWAGKXIZMCVOC-SNVBAGLBSA-N -1 0 315.370 -0.556 20 0 DBADRM Cc1nn(C)c(C)c1CCNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655982583 411982494 /nfs/dbraw/zinc/98/24/94/411982494.db2.gz XBQQJUHTLXYYRN-QMMMGPOBSA-N -1 0 310.354 -0.467 20 0 DBADRM COc1cc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])ccc1O ZINC000655977944 411982516 /nfs/dbraw/zinc/98/25/16/411982516.db2.gz MQRLRKZQNKCFSS-MRVPVSSYSA-N -1 0 310.306 -0.146 20 0 DBADRM CC[C@@H](C)NC(=O)CCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655980506 411982531 /nfs/dbraw/zinc/98/25/31/411982531.db2.gz HBLITTJBDQWOFO-RKDXNWHRSA-N -1 0 301.343 -0.756 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)[O-] ZINC000655993199 411983034 /nfs/dbraw/zinc/98/30/34/411983034.db2.gz LHCVTDLXLQYFLE-IUCAKERBSA-N -1 0 313.354 -0.661 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCc1nnnn1C1CC1)C(=O)[O-] ZINC000655991869 411983155 /nfs/dbraw/zinc/98/31/55/411983155.db2.gz ZSIFKSSAPDYYSR-SECBINFHSA-N -1 0 324.341 -0.903 20 0 DBADRM COC[C@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)OC ZINC000655994454 411983510 /nfs/dbraw/zinc/98/35/10/411983510.db2.gz RSPBEZCMXSWOOE-VHSXEESVSA-N -1 0 304.343 -0.763 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCc1cn(C)cn1)C(=O)[O-] ZINC000655998024 411983515 /nfs/dbraw/zinc/98/35/15/411983515.db2.gz SGEQOSPJQWRIQW-LLVKDONJSA-N -1 0 310.354 -0.448 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1)C(=O)[O-] ZINC000655991541 411983614 /nfs/dbraw/zinc/98/36/14/411983614.db2.gz XRUNOYYELGJUBG-QWRGUYRKSA-N -1 0 320.349 -0.387 20 0 DBADRM CCc1nn(C)c(CC)c1CNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655993952 411983709 /nfs/dbraw/zinc/98/37/09/411983709.db2.gz RAOUTLOMVRRAHS-VIFPVBQESA-N -1 0 324.381 -0.002 20 0 DBADRM CCCN1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1=O ZINC000655999915 411983799 /nfs/dbraw/zinc/98/37/99/411983799.db2.gz LDLLAGNDOJKWHA-JTQLQIEISA-N -1 0 313.354 -0.706 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCC(=O)Nc1ccccc1)C(=O)[O-] ZINC000655988962 411983821 /nfs/dbraw/zinc/98/38/21/411983821.db2.gz VGPZLZDFFBQVKQ-JTQLQIEISA-N -1 0 321.333 -0.032 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC(F)(F)C(F)(F)C1)C(=O)[O-] ZINC000655999908 411983830 /nfs/dbraw/zinc/98/38/30/411983830.db2.gz QCGPMKDQAMDBBB-RXMQYKEDSA-N -1 0 300.208 -0.064 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCC2=O)C1)C(=O)[O-] ZINC000656001969 411984473 /nfs/dbraw/zinc/98/44/73/411984473.db2.gz QPEAXNFGCAHYNA-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM COCCOC[C@H]1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000656003803 411984572 /nfs/dbraw/zinc/98/45/72/411984572.db2.gz XSEYNZUUPFCIRL-QWRGUYRKSA-N -1 0 316.354 -0.665 20 0 DBADRM COCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC000655999248 411984659 /nfs/dbraw/zinc/98/46/59/411984659.db2.gz CWPNHXGRICRNOH-ZJUUUORDSA-N -1 0 302.327 -0.913 20 0 DBADRM CCC1(CO)CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000656001878 411984758 /nfs/dbraw/zinc/98/47/58/411984758.db2.gz ONUZENKVFXWEJB-JTQLQIEISA-N -1 0 300.355 -0.166 20 0 DBADRM CC(C)CN1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1=O ZINC000656001491 411984800 /nfs/dbraw/zinc/98/48/00/411984800.db2.gz IXUQQMCCPTVVRT-JTQLQIEISA-N -1 0 313.354 -0.850 20 0 DBADRM CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655998751 411985038 /nfs/dbraw/zinc/98/50/38/411985038.db2.gz BOKIGPPWLPJVDF-UWVGGRQHSA-N -1 0 313.354 -0.661 20 0 DBADRM CCC[C@]1(CO)CCCN1C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000656002772 411985743 /nfs/dbraw/zinc/98/57/43/411985743.db2.gz JJXFJVVXARZDBH-QMTHXVAHSA-N -1 0 300.355 -0.023 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CCO1 ZINC000656014240 411986490 /nfs/dbraw/zinc/98/64/90/411986490.db2.gz VCYKVYQCNQVIKG-QWRGUYRKSA-N -1 0 316.354 -0.667 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000656006662 411986550 /nfs/dbraw/zinc/98/65/50/411986550.db2.gz YVBATLZOWVQSGZ-BBBLOLIVSA-N -1 0 311.338 -0.907 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC([C@@H]2CCOC2)C1)C(=O)[O-] ZINC000656009497 411986642 /nfs/dbraw/zinc/98/66/42/411986642.db2.gz XERLVGMUHYQCBA-ZYHUDNBSSA-N -1 0 312.366 -0.046 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CCO)C(=O)[O-] ZINC000656007783 411986728 /nfs/dbraw/zinc/98/67/28/411986728.db2.gz MUBXHQSFVCZJRJ-GHMZBOCLSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1)C(=O)[O-] ZINC000656009004 411986762 /nfs/dbraw/zinc/98/67/62/411986762.db2.gz PJFWWYWJKAIZMK-ZJUUUORDSA-N -1 0 313.354 -0.852 20 0 DBADRM COc1ccc(CN(C)C(=O)C(=O)NC[C@H](C)C(=O)[O-])cn1 ZINC000656004842 411986776 /nfs/dbraw/zinc/98/67/76/411986776.db2.gz SJJHCEHLCBCAOH-VIFPVBQESA-N -1 0 309.322 -0.115 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC(C(C)(C)O)C1)C(=O)[O-] ZINC000656010239 411986778 /nfs/dbraw/zinc/98/67/78/411986778.db2.gz AZQRADXSYWARLD-JTQLQIEISA-N -1 0 300.355 -0.311 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC([C@H]2CCOC2)C1)C(=O)[O-] ZINC000656009494 411986835 /nfs/dbraw/zinc/98/68/35/411986835.db2.gz XERLVGMUHYQCBA-CMPLNLGQSA-N -1 0 312.366 -0.046 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](n2cncn2)C1)C(=O)[O-] ZINC000656010714 411986873 /nfs/dbraw/zinc/98/68/73/411986873.db2.gz PJAAEWWMPNFIKO-MNOVXSKESA-N -1 0 323.353 -0.476 20 0 DBADRM COC[C@H]1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000656009060 411986902 /nfs/dbraw/zinc/98/69/02/411986902.db2.gz QPFVZZHHMCTTEF-WDEREUQCSA-N -1 0 300.355 -0.046 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1)C(=O)[O-] ZINC000656009003 411986949 /nfs/dbraw/zinc/98/69/49/411986949.db2.gz PJFWWYWJKAIZMK-VHSXEESVSA-N -1 0 313.354 -0.852 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000656010204 411987000 /nfs/dbraw/zinc/98/70/00/411987000.db2.gz AHERAMCXUSPSNT-VIFPVBQESA-N -1 0 301.343 -0.946 20 0 DBADRM CCC(=O)N1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000656007402 411987062 /nfs/dbraw/zinc/98/70/62/411987062.db2.gz FCIGXAMDHQIEFI-SNVBAGLBSA-N -1 0 313.354 -0.706 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC(n2ccnc2)CC1)C(=O)[O-] ZINC000656006778 411987235 /nfs/dbraw/zinc/98/72/35/411987235.db2.gz UTJQZTFULMIBNG-SNVBAGLBSA-N -1 0 308.338 -0.117 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCn2cnnc2[C@@H]1C)C(=O)[O-] ZINC000656012971 411989201 /nfs/dbraw/zinc/98/92/01/411989201.db2.gz KICSYXVTYWVCLU-UWVGGRQHSA-N -1 0 323.353 -0.346 20 0 DBADRM COc1cccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1F ZINC000656156157 411997244 /nfs/dbraw/zinc/99/72/44/411997244.db2.gz XXGLRNHFOYLJMJ-LURJTMIESA-N -1 0 320.298 -0.559 20 0 DBADRM COc1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)c1F ZINC000656155958 411997448 /nfs/dbraw/zinc/99/74/48/411997448.db2.gz MOHTYAIIPXGLEZ-WKEGUHRASA-N -1 0 307.299 -0.053 20 0 DBADRM CO[C@H](C[C@@H](NS(=O)(=O)[C@@H]1CCOC1)C(=O)[O-])C1CC1 ZINC000656167703 411997551 /nfs/dbraw/zinc/99/75/51/411997551.db2.gz AJQJZLJTMYICMG-GMTAPVOTSA-N -1 0 307.368 -0.037 20 0 DBADRM O=C([O-])[C@H](CCF)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000656162088 411997672 /nfs/dbraw/zinc/99/76/72/411997672.db2.gz BHCDQAHCEUHTRT-WPRPVWTQSA-N -1 0 321.330 -0.064 20 0 DBADRM CO[C@@H](C[C@@H](NS(=O)(=O)c1c[nH]cn1)C(=O)[O-])C1CC1 ZINC000656168414 411998354 /nfs/dbraw/zinc/99/83/54/411998354.db2.gz HDQWGWJOWPBRBQ-BDAKNGLRSA-N -1 0 303.340 -0.044 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N(C)CCN1CCCS1(=O)=O ZINC000656244797 411999689 /nfs/dbraw/zinc/99/96/89/411999689.db2.gz REVPUMZJHFCEMF-JTQLQIEISA-N -1 0 306.384 -0.019 20 0 DBADRM CO[C@H](C[C@@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-])C1CC1 ZINC000656170595 411999717 /nfs/dbraw/zinc/99/97/17/411999717.db2.gz ZAPXRMXZWIRSAV-GHMZBOCLSA-N -1 0 322.383 -0.579 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000656247331 412000678 /nfs/dbraw/zinc/00/06/78/412000678.db2.gz IIQPQOSWFWXJIQ-ZJUUUORDSA-N -1 0 309.326 -0.904 20 0 DBADRM O=C(C[C@@]1(C(=O)[O-])CCOC1)NCc1nnnn1CC1CC1 ZINC000656482919 412007022 /nfs/dbraw/zinc/00/70/22/412007022.db2.gz ONXMRHUJFPXCDG-ZDUSSCGKSA-N -1 0 309.326 -0.419 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-] ZINC000656513170 412007226 /nfs/dbraw/zinc/00/72/26/412007226.db2.gz RNIIWRRUOHRELC-WDEREUQCSA-N -1 0 324.399 -0.454 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000656514050 412007268 /nfs/dbraw/zinc/00/72/68/412007268.db2.gz IVNLMHQOAHWMLH-AXFHLTTASA-N -1 0 309.384 -0.101 20 0 DBADRM COC1CCN(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])CC1 ZINC000656512601 412007283 /nfs/dbraw/zinc/00/72/83/412007283.db2.gz NTHPSZMPUYSNHX-SECBINFHSA-N -1 0 310.397 -0.199 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C)cc(C(N)=O)c1)C(=O)[O-] ZINC000656513329 412007329 /nfs/dbraw/zinc/00/73/29/412007329.db2.gz VYINSQKXMQTLMP-SNVBAGLBSA-N -1 0 316.335 -0.528 20 0 DBADRM COC1CCN(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)CC1 ZINC000656512330 412007415 /nfs/dbraw/zinc/00/74/15/412007415.db2.gz IKNPEYAXNFVYGX-ZJUUUORDSA-N -1 0 304.368 -0.039 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000656514053 412007439 /nfs/dbraw/zinc/00/74/39/412007439.db2.gz IVNLMHQOAHWMLH-HBNTYKKESA-N -1 0 309.384 -0.101 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CC2(CCCC2)[C@H]1C(=O)[O-] ZINC000656526879 412007634 /nfs/dbraw/zinc/00/76/34/412007634.db2.gz DCLPMFIYMZJXFI-SECBINFHSA-N -1 0 300.340 -0.167 20 0 DBADRM CCC1CCN(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])CC1 ZINC000656509059 412007673 /nfs/dbraw/zinc/00/76/73/412007673.db2.gz KAHVRCRUVATUKV-SECBINFHSA-N -1 0 307.372 -0.729 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656562790 412009197 /nfs/dbraw/zinc/00/91/97/412009197.db2.gz UMCVFHSAOQBBAF-BTQIBKBOSA-N -1 0 305.352 -0.473 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC000656562408 412009204 /nfs/dbraw/zinc/00/92/04/412009204.db2.gz JFBSGMWSHFEMKE-GARJFASQSA-N -1 0 323.367 -0.847 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000656562433 412009715 /nfs/dbraw/zinc/00/97/15/412009715.db2.gz QAYYZLVTBHMTEU-CKYFFXLPSA-N -1 0 304.368 -0.394 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1ccc2c(c1)CCNC2=O)C(=O)[O-] ZINC000656605097 412010731 /nfs/dbraw/zinc/01/07/31/412010731.db2.gz OXLSJJDMBWMZCG-CQSZACIVSA-N -1 0 307.306 -0.070 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656564563 412011027 /nfs/dbraw/zinc/01/10/27/412011027.db2.gz REHNYGQXFMDQEM-RDDDGLTNSA-N -1 0 317.323 -0.713 20 0 DBADRM NC(=O)c1csc(CNC(=O)N[C@@H](CCF)C(=O)[O-])n1 ZINC000656597363 412011142 /nfs/dbraw/zinc/01/11/42/412011142.db2.gz JZCWNHUVJMEWRW-YFKPBYRVSA-N -1 0 304.303 -0.146 20 0 DBADRM C[C@@]12COC[C@@H]1CN(S(=O)(=O)c1cnn(CC(=O)[O-])c1)C2 ZINC000656727196 412011867 /nfs/dbraw/zinc/01/18/67/412011867.db2.gz GWFBUTWNVUFFBY-JOYOIKCWSA-N -1 0 315.351 -0.375 20 0 DBADRM Cc1cncc(CCNS(=O)(=O)c2n[nH]cc2C(=O)[O-])n1 ZINC000656728061 412012160 /nfs/dbraw/zinc/01/21/60/412012160.db2.gz KNTDZNJOIYFFAY-UHFFFAOYSA-N -1 0 311.323 -0.273 20 0 DBADRM CN(C[C@H]1COCCO1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000656721021 412012184 /nfs/dbraw/zinc/01/21/84/412012184.db2.gz INCRHVGMFKOEDX-VHSXEESVSA-N -1 0 308.356 -0.873 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCO[C@@H]1CC1(F)F ZINC000656719499 412012352 /nfs/dbraw/zinc/01/23/52/412012352.db2.gz JOGXXBMLTJMQMT-JGVFFNPUSA-N -1 0 314.310 -0.206 20 0 DBADRM CN(C[C@H]1COCCO1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000656721604 412012437 /nfs/dbraw/zinc/01/24/37/412012437.db2.gz PYVUOSFGRKAWHJ-QMMMGPOBSA-N -1 0 304.324 -0.251 20 0 DBADRM CO[C@@H](CNS(=O)(=O)N(C)CCC(=O)[O-])[C@H]1CCOC1 ZINC000656719589 412012502 /nfs/dbraw/zinc/01/25/02/412012502.db2.gz ZDFISYSBKPMCBX-UWVGGRQHSA-N -1 0 310.372 -0.721 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-]c1nc(N(C)C)n[nH]1)[C@@H]1CCOC1 ZINC000656736451 412012525 /nfs/dbraw/zinc/01/25/25/412012525.db2.gz AHJMSVKRMITQJR-BDAKNGLRSA-N -1 0 319.387 -0.336 20 0 DBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000656851152 412013863 /nfs/dbraw/zinc/01/38/63/412013863.db2.gz DTOXZYXWTXVGBB-UFBFGSQYSA-N -1 0 304.368 -0.363 20 0 DBADRM CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccccc2[O-])CCO1 ZINC000656903995 412016476 /nfs/dbraw/zinc/01/64/76/412016476.db2.gz HKZDHVSSSWKFNA-NSHDSACASA-N -1 0 314.363 -0.082 20 0 DBADRM C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[O-])CC1 ZINC000656946597 412017715 /nfs/dbraw/zinc/01/77/15/412017715.db2.gz CCWNQMAADBLDLV-JTQLQIEISA-N -1 0 314.363 -0.394 20 0 DBADRM O=C([O-])[C@H](CNC(=O)N1CCS(=O)(=O)CC1)CC1CC1 ZINC000405391686 411947068 /nfs/dbraw/zinc/94/70/68/411947068.db2.gz GSHCIDXPIUWBPB-JTQLQIEISA-N -1 0 304.368 -0.073 20 0 DBADRM CC(C)c1nc(S(=O)(=O)NCCOCC(=O)[O-])cn1C ZINC000654770107 411950202 /nfs/dbraw/zinc/95/02/02/411950202.db2.gz UKXVJJKPDOJWBX-UHFFFAOYSA-N -1 0 305.356 -0.077 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-]CC(F)(F)CO)[C@@H]1CCOC1 ZINC000656963835 412019048 /nfs/dbraw/zinc/01/90/48/412019048.db2.gz SLPPUXNIUSPPKZ-RKDXNWHRSA-N -1 0 303.327 -0.415 20 0 DBADRM C[C@H]1C[C@H](O)CN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659058320 412077170 /nfs/dbraw/zinc/07/71/70/412077170.db2.gz MXIPNGCGLZMYQT-IUCAKERBSA-N -1 0 324.337 -0.377 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1=O ZINC000659053335 412077208 /nfs/dbraw/zinc/07/72/08/412077208.db2.gz FOUSTIGRKBIHJU-UHFFFAOYSA-N -1 0 306.278 -0.981 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659059475 412077212 /nfs/dbraw/zinc/07/72/12/412077212.db2.gz QWCATOKXRYAIAW-MRVPVSSYSA-N -1 0 322.321 -0.299 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@H]1O ZINC000659055965 412077364 /nfs/dbraw/zinc/07/73/64/412077364.db2.gz QTJKMASZRKYPJC-PSASIEDQSA-N -1 0 307.306 -0.052 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCC[C@H](O)C2)n1 ZINC000659051246 412076361 /nfs/dbraw/zinc/07/63/61/412076361.db2.gz UWNTYKLJKBRPLR-VIFPVBQESA-N -1 0 324.337 -0.375 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N[C@H]1CCCCNC1=O ZINC000659052069 412076497 /nfs/dbraw/zinc/07/64/97/412076497.db2.gz SFHHQLMRRHHQML-VIFPVBQESA-N -1 0 320.305 -0.497 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000659229760 412082957 /nfs/dbraw/zinc/08/29/57/412082957.db2.gz ZULULQAOAAHNMF-UHFFFAOYSA-N -1 0 316.339 -0.940 20 0 DBADRM CN(C)c1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)ncn1 ZINC000659070106 412078193 /nfs/dbraw/zinc/07/81/93/412078193.db2.gz RBGVAXHOOGKOQN-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM COCCOc1ncccc1NC(=O)C(=O)N[C@H](C)C(=O)[O-] ZINC000659062160 412078711 /nfs/dbraw/zinc/07/87/11/412078711.db2.gz ARUVFVJBMQIUOP-MRVPVSSYSA-N -1 0 311.294 -0.365 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000659063949 412078766 /nfs/dbraw/zinc/07/87/66/412078766.db2.gz APYVYTGQXRQSLP-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM CN(C)S(=O)(=O)N1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC000659187699 412081206 /nfs/dbraw/zinc/08/12/06/412081206.db2.gz DEYHKPBXFFAHCQ-UHFFFAOYSA-N -1 0 319.383 -0.808 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000659177586 412081253 /nfs/dbraw/zinc/08/12/53/412081253.db2.gz AHMHJUMORAUQTR-UHFFFAOYSA-N -1 0 304.368 -0.266 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000659134971 412081331 /nfs/dbraw/zinc/08/13/31/412081331.db2.gz ZIYHOFNLQMKUSB-PJXYFTJBSA-N -1 0 310.350 -0.340 20 0 DBADRM O=C(COc1ccccc1)NCC(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC000659174582 412081463 /nfs/dbraw/zinc/08/14/63/412081463.db2.gz MXZMOCCPZXWNNA-SMDDNHRTSA-N -1 0 322.317 -0.460 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000659174260 412081819 /nfs/dbraw/zinc/08/18/19/412081819.db2.gz JEUGRHNDEQQXNE-KOLCDFICSA-N -1 0 307.368 -0.050 20 0 DBADRM CO[C@H]1CCN(C(=O)CS(=O)(=O)C(C)C)[C@H](C(=O)[O-])C1 ZINC000659220430 412082010 /nfs/dbraw/zinc/08/20/10/412082010.db2.gz PARSDDAAZQCDHY-UWVGGRQHSA-N -1 0 307.368 -0.100 20 0 DBADRM CN(CC(=O)N[C@@H](C(=O)[O-])c1ccsc1)S(C)(=O)=O ZINC000659162135 412082134 /nfs/dbraw/zinc/08/21/34/412082134.db2.gz XSUXUBFICLCTBB-SECBINFHSA-N -1 0 306.365 -0.119 20 0 DBADRM COCCN1CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1=O ZINC000659420276 412086785 /nfs/dbraw/zinc/08/67/85/412086785.db2.gz CGHJPWLZFNVKRD-UHFFFAOYSA-N -1 0 313.354 -0.259 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000659409025 412087259 /nfs/dbraw/zinc/08/72/59/412087259.db2.gz XKPIVVWCFDJNNH-IUCAKERBSA-N -1 0 322.383 -0.402 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000659411506 412087732 /nfs/dbraw/zinc/08/77/32/412087732.db2.gz NLUYBHYLFWLJRD-LPEHRKFASA-N -1 0 322.383 -0.546 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)no1 ZINC000659648227 412098479 /nfs/dbraw/zinc/09/84/79/412098479.db2.gz DYROLNJUXRQPJW-YMTOWFKASA-N -1 0 323.305 -0.841 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])CS1(=O)=O ZINC000659655048 412098753 /nfs/dbraw/zinc/09/87/53/412098753.db2.gz FJDRVFHRCOTTQS-IUCAKERBSA-N -1 0 320.367 -0.951 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])CS1(=O)=O ZINC000659655046 412099351 /nfs/dbraw/zinc/09/93/51/412099351.db2.gz FJDRVFHRCOTTQS-BDAKNGLRSA-N -1 0 320.367 -0.951 20 0 DBADRM COc1ccnc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1F ZINC000659661540 412099801 /nfs/dbraw/zinc/09/98/01/412099801.db2.gz JIFCOKXMIGRGEQ-SSDOTTSWSA-N -1 0 313.285 -0.318 20 0 DBADRM CCOC[C@H](C)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659656774 412100077 /nfs/dbraw/zinc/10/00/77/412100077.db2.gz MNQZSUXYJLRNOC-IMSIIYSGSA-N -1 0 314.338 -0.913 20 0 DBADRM COC[C@H](NC(=O)C(=O)NCCC(=O)[O-])C1CCOCC1 ZINC000659659036 412100286 /nfs/dbraw/zinc/10/02/86/412100286.db2.gz OXMJOOBXVWFHBV-JTQLQIEISA-N -1 0 302.327 -0.865 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C)C1)C(=O)[O-] ZINC000659660495 412100415 /nfs/dbraw/zinc/10/04/15/412100415.db2.gz BNQQPYWYDJLPKM-ZETOZRRWSA-N -1 0 312.366 -0.046 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)n2ncnc21)C(=O)[O-] ZINC000659661396 412100604 /nfs/dbraw/zinc/10/06/04/412100604.db2.gz ISUMIOGVBANSJY-UTLUCORTSA-N -1 0 323.353 -0.127 20 0 DBADRM COc1cccc(OC)c1CNC(=O)C(=O)NCCC(=O)[O-] ZINC000659659033 412100815 /nfs/dbraw/zinc/10/08/15/412100815.db2.gz OROCOXAVLOSLJV-UHFFFAOYSA-N -1 0 310.306 -0.089 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)NCCO[C@H]2CC2(F)F)C1 ZINC000659662517 412100866 /nfs/dbraw/zinc/10/08/66/412100866.db2.gz GCQHFOYKYKICIV-IUCAKERBSA-N -1 0 320.292 -0.150 20 0 DBADRM C[C@@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C2 ZINC000659660251 412100899 /nfs/dbraw/zinc/10/08/99/412100899.db2.gz IHNZNRZTLNAQTF-MYQWFSQQSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCO[C@@H](CF)C2)CCC1 ZINC000659671298 412101548 /nfs/dbraw/zinc/10/15/48/412101548.db2.gz WGZPLXUMMKINLM-VIFPVBQESA-N -1 0 302.302 -0.446 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC(=O)N1C ZINC000659671373 412101753 /nfs/dbraw/zinc/10/17/53/412101753.db2.gz YMRFGEADIQCTLL-SECBINFHSA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@](F)(CO)C2)CCC1 ZINC000659669706 412101920 /nfs/dbraw/zinc/10/19/20/412101920.db2.gz DDEICPCIRBLQET-CYBMUJFWSA-N -1 0 302.302 -0.710 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC([C@@H]3CCOC3)C2)CCC1 ZINC000659671172 412102406 /nfs/dbraw/zinc/10/24/06/412102406.db2.gz UKDGCIVZJCQRJY-SNVBAGLBSA-N -1 0 310.350 -0.148 20 0 DBADRM O=C([O-])COc1ccc(C(=O)NCC(=O)N2CCOCC2)cc1 ZINC000659756493 412122941 /nfs/dbraw/zinc/12/29/41/412122941.db2.gz FXBXOBCMGUXPQF-UHFFFAOYSA-N -1 0 322.317 -0.261 20 0 DBADRM COCCNC(=O)CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659753309 412123129 /nfs/dbraw/zinc/12/31/29/412123129.db2.gz YHTZJLUJSMUMCD-UHFFFAOYSA-N -1 0 310.306 -0.358 20 0 DBADRM NC(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000659778715 412123924 /nfs/dbraw/zinc/12/39/24/412123924.db2.gz SFYYZTSPJLENHB-IAQYHMDHSA-N -1 0 304.302 -0.041 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000659779634 412124733 /nfs/dbraw/zinc/12/47/33/412124733.db2.gz JUHBAOQWLOUKFS-UEKVPHQBSA-N -1 0 310.350 -0.196 20 0 DBADRM CNS(=O)(=O)c1ccc(CN2CCOC[C@H]2C(=O)[O-])cc1 ZINC000659785754 412125422 /nfs/dbraw/zinc/12/54/22/412125422.db2.gz HQBMRYCABUKTKG-LBPRGKRZSA-N -1 0 314.363 -0.120 20 0 DBADRM C[C@@H]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662905728 412208891 /nfs/dbraw/zinc/20/88/91/412208891.db2.gz GHLXXDBGIIWLLR-JNIYBQFBSA-N -1 0 310.350 -0.197 20 0 DBADRM CN(CC(F)F)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662903098 412209665 /nfs/dbraw/zinc/20/96/65/412209665.db2.gz APHATEOAGZZCJV-JMCQJSRRSA-N -1 0 306.265 -0.731 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@H]1C ZINC000662904856 412209947 /nfs/dbraw/zinc/20/99/47/412209947.db2.gz TUQDULFZIFZGBF-UYUMYWFVSA-N -1 0 310.350 -0.340 20 0 DBADRM NS(=O)(=O)c1cccnc1N[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]1O ZINC000662894620 412210058 /nfs/dbraw/zinc/21/00/58/412210058.db2.gz AXHFOYXYNWYLOO-PRJMDXOYSA-N -1 0 301.324 -0.635 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCOC3)C1 ZINC000662913844 412210608 /nfs/dbraw/zinc/21/06/08/412210608.db2.gz NOQKBDUWVBIFQS-IAQYHMDHSA-N -1 0 310.350 -0.051 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N(C)C[C@@H]1COCCO1)C(=O)[O-] ZINC000662913080 412210733 /nfs/dbraw/zinc/21/07/33/412210733.db2.gz JTASQKFJTWUKGQ-VHSXEESVSA-N -1 0 302.327 -0.961 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cn(C)nn2)C[C@@H]1C(=O)[O-] ZINC000662911065 412211013 /nfs/dbraw/zinc/21/10/13/412211013.db2.gz RBYOKTOWBXWMDT-KOLCDFICSA-N -1 0 323.353 -0.657 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCOC3)C1 ZINC000662913850 412211234 /nfs/dbraw/zinc/21/12/34/412211234.db2.gz NOQKBDUWVBIFQS-XHDPSFHLSA-N -1 0 310.350 -0.051 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N(C)CCC(=O)[O-])[C@H]1CCO ZINC000662913706 412211320 /nfs/dbraw/zinc/21/13/20/412211320.db2.gz BAGCLWPUNASBCV-MNOVXSKESA-N -1 0 300.355 -0.071 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000132886794 412211572 /nfs/dbraw/zinc/21/15/72/412211572.db2.gz KLJIFZFBPFCCLM-ZJUUUORDSA-N -1 0 304.368 -0.409 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1)C(=O)[O-] ZINC000662913036 412211578 /nfs/dbraw/zinc/21/15/78/412211578.db2.gz JKFYNDZNZWNICM-QWRGUYRKSA-N -1 0 323.353 -0.694 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CCF)C2)CCO1 ZINC000662914958 412212608 /nfs/dbraw/zinc/21/26/08/412212608.db2.gz VDPMDFVPGWLYJO-QWRGUYRKSA-N -1 0 316.329 -0.103 20 0 DBADRM CO[C@H](C)CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662914745 412212943 /nfs/dbraw/zinc/21/29/43/412212943.db2.gz DTBFLCCGQLJOPS-GPCCPHFNSA-N -1 0 314.338 -0.961 20 0 DBADRM Cc1sc(=O)n(CC(=O)N2CCOC[C@@H]2C(=O)[O-])c1C ZINC000663028611 412223892 /nfs/dbraw/zinc/22/38/92/412223892.db2.gz ZJVDCRDZTKZQCL-SECBINFHSA-N -1 0 300.336 -0.161 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000663025383 412224008 /nfs/dbraw/zinc/22/40/08/412224008.db2.gz HGBIOBZWDMSCKL-VHSXEESVSA-N -1 0 319.383 -0.775 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N1CCOC[C@@H]1C(=O)[O-])n1cccn1 ZINC000663027306 412224039 /nfs/dbraw/zinc/22/40/39/412224039.db2.gz MKLHIYMBGOQZCY-WDEREUQCSA-N -1 0 324.337 -0.786 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1c(F)cccc1F)C(=O)[O-] ZINC000663027967 412224250 /nfs/dbraw/zinc/22/42/50/412224250.db2.gz ZPLXMKBYDHZUCG-LBPRGKRZSA-N -1 0 302.233 -0.145 20 0 DBADRM Cc1ccc2ncc(C(=O)N3CCOC[C@H]3C(=O)[O-])c(=O)n2c1 ZINC000663026770 412224282 /nfs/dbraw/zinc/22/42/82/412224282.db2.gz IOPFHCXFSJHDQN-NSHDSACASA-N -1 0 317.301 -0.071 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663024046 412224297 /nfs/dbraw/zinc/22/42/97/412224297.db2.gz NJOTZJIMXZSMFY-AEJSXWLSSA-N -1 0 321.399 -0.483 20 0 DBADRM C[C@H]1CN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CCN1S(C)(=O)=O ZINC000663047067 412224454 /nfs/dbraw/zinc/22/44/54/412224454.db2.gz CRPKDNLWTMOUKF-TVQRCGJNSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C[C@H]1C(=O)[O-] ZINC000663059793 412225068 /nfs/dbraw/zinc/22/50/68/412225068.db2.gz XNGBBUYRAHSBJL-WDEREUQCSA-N -1 0 323.353 -0.252 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC000663063185 412225186 /nfs/dbraw/zinc/22/51/86/412225186.db2.gz JSJVBNYAMQIMMH-VHSXEESVSA-N -1 0 304.368 -0.363 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000663052313 412225257 /nfs/dbraw/zinc/22/52/57/412225257.db2.gz SBKGPTQVLHUIPS-CQSZACIVSA-N -1 0 320.305 -0.001 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCc1nnnn1-c1ccccc1 ZINC000663066695 412225269 /nfs/dbraw/zinc/22/52/69/412225269.db2.gz HVYNTRMXLPIFKX-ZDUSSCGKSA-N -1 0 305.294 -0.232 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC000663062605 412225521 /nfs/dbraw/zinc/22/55/21/412225521.db2.gz HKMAZNTXQVCZRF-JTQLQIEISA-N -1 0 316.379 -0.052 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000663072939 412225539 /nfs/dbraw/zinc/22/55/39/412225539.db2.gz VULGQSHIWYVHJZ-SNVBAGLBSA-N -1 0 306.384 -0.067 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663062270 412225563 /nfs/dbraw/zinc/22/55/63/412225563.db2.gz STQPPMLPVPRVPZ-MXWKQRLJSA-N -1 0 318.395 -0.069 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663077850 412225730 /nfs/dbraw/zinc/22/57/30/412225730.db2.gz CFYRFZQDFLZEEG-SNVBAGLBSA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC000663055241 412225745 /nfs/dbraw/zinc/22/57/45/412225745.db2.gz WVIQBVGNLRBSCJ-RKDXNWHRSA-N -1 0 307.372 -0.919 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1 ZINC000663119085 412226381 /nfs/dbraw/zinc/22/63/81/412226381.db2.gz JHECSKFPURVWIP-CQSZACIVSA-N -1 0 307.354 -0.035 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)CCNS(C)(=O)=O)cn1 ZINC000663127154 412226506 /nfs/dbraw/zinc/22/65/06/412226506.db2.gz HIIHVAKBWYZIQG-UHFFFAOYSA-N -1 0 318.355 -0.419 20 0 DBADRM NC(=O)Cn1cc(C(=O)NC2(CC(=O)[O-])CCCCC2)nn1 ZINC000663122734 412226586 /nfs/dbraw/zinc/22/65/86/412226586.db2.gz CQZOOGHFYNMXDC-UHFFFAOYSA-N -1 0 309.326 -0.329 20 0 DBADRM CCN(CCCNC(=O)[C@H](C(=O)[O-])C1CC1)S(C)(=O)=O ZINC000663095416 412226604 /nfs/dbraw/zinc/22/66/04/412226604.db2.gz ZRCPRSCNMIAGIO-SNVBAGLBSA-N -1 0 306.384 -0.115 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@](C)(OC)C(=O)[O-] ZINC000663098261 412226616 /nfs/dbraw/zinc/22/66/16/412226616.db2.gz INSKLJDWSLNJFH-KCJUWKMLSA-N -1 0 308.356 -0.984 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000663092335 412226654 /nfs/dbraw/zinc/22/66/54/412226654.db2.gz MYFNHJBFDSFXAV-AWEZNQCLSA-N -1 0 310.306 -0.343 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCC(=O)NCCc1ccccc1 ZINC000663098780 412226665 /nfs/dbraw/zinc/22/66/65/412226665.db2.gz WTZNTDOGKDMLFN-OAHLLOKOSA-N -1 0 308.334 -0.049 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@H](C(=O)[O-])C3CC3)CCN2C1=O ZINC000663090131 412226861 /nfs/dbraw/zinc/22/68/61/412226861.db2.gz RABCFIOZSGNMRQ-VHSXEESVSA-N -1 0 309.322 -0.408 20 0 DBADRM NC(=O)CNC(=O)c1cccc(NC(=O)[C@@H](C(=O)[O-])C2CC2)c1 ZINC000663088302 412226872 /nfs/dbraw/zinc/22/68/72/412226872.db2.gz HTZSXXNERQKIBB-LBPRGKRZSA-N -1 0 319.317 -0.049 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)C3(C(=O)[O-])CCC3)CCN2C1=O ZINC000663088879 412226973 /nfs/dbraw/zinc/22/69/73/412226973.db2.gz LDVBZPSOTOBJCX-SECBINFHSA-N -1 0 309.322 -0.264 20 0 DBADRM Cc1sc(=O)n(CC(=O)N[C@@]2(C(=O)[O-])CCOC2)c1C ZINC000663130503 412227256 /nfs/dbraw/zinc/22/72/56/412227256.db2.gz KQTTUGFMXUTPGS-LBPRGKRZSA-N -1 0 300.336 -0.113 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000663127873 412227428 /nfs/dbraw/zinc/22/74/28/412227428.db2.gz UVTRFWITEARRPQ-JOAULVNJSA-N -1 0 305.352 -0.585 20 0 DBADRM COc1ncnc(OC)c1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000663130734 412227436 /nfs/dbraw/zinc/22/74/36/412227436.db2.gz NQBLASXFEZJZAB-XLKFXECMSA-N -1 0 323.305 -0.333 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000663129378 412227495 /nfs/dbraw/zinc/22/74/95/412227495.db2.gz KIGUKZQYNGRGSG-LALPHHSUSA-N -1 0 310.350 -0.053 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000663131300 412227590 /nfs/dbraw/zinc/22/75/90/412227590.db2.gz QFWNJQLWAZUMDW-AWEZNQCLSA-N -1 0 307.306 -0.443 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H](C(=O)[O-])C2CC2)CCN1S(C)(=O)=O ZINC000663134705 412227620 /nfs/dbraw/zinc/22/76/20/412227620.db2.gz ZEAGCOZLRLGPDG-PSASIEDQSA-N -1 0 304.368 -0.411 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CN2CC(=O)NC2=O)Cc2ccccc21 ZINC000663134376 412227637 /nfs/dbraw/zinc/22/76/37/412227637.db2.gz JAPHBHNZAHONBE-NSHDSACASA-N -1 0 317.301 -0.251 20 0 DBADRM CN1CC[C@@H](C(=O)N(CC(=O)[O-])CC(C)(C)C)S1(=O)=O ZINC000663137949 412227681 /nfs/dbraw/zinc/22/76/81/412227681.db2.gz RKSHLVBWZGNNQP-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM Cc1csc(=O)n1CCC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000663130559 412227706 /nfs/dbraw/zinc/22/77/06/412227706.db2.gz JZFYMEGMNQLCIW-LBPRGKRZSA-N -1 0 300.336 -0.032 20 0 DBADRM O=C(CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)NCC(F)(F)F ZINC000663129630 412227943 /nfs/dbraw/zinc/22/79/43/412227943.db2.gz OIRSTXUPLGADGQ-RDDDGLTNSA-N -1 0 324.255 -0.385 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(N)=O ZINC000663137971 412227986 /nfs/dbraw/zinc/22/79/86/412227986.db2.gz CTEXLSLZBBUHLZ-QWRGUYRKSA-N -1 0 315.370 -0.380 20 0 DBADRM Cn1cnn(CC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1=O ZINC000663134673 412228139 /nfs/dbraw/zinc/22/81/39/412228139.db2.gz KEHLVNMPOCJPRZ-LBPRGKRZSA-N -1 0 316.317 -0.208 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663154312 412228567 /nfs/dbraw/zinc/22/85/67/412228567.db2.gz ZOBATJWMXKWPBX-SNVBAGLBSA-N -1 0 306.384 -0.115 20 0 DBADRM COCCN1C[C@H](C(=O)Nc2ccn(CC(=O)[O-])n2)CC1=O ZINC000663145176 412228646 /nfs/dbraw/zinc/22/86/46/412228646.db2.gz OHWYINLOACYXEE-SECBINFHSA-N -1 0 310.310 -0.599 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCC1 ZINC000663218070 412228890 /nfs/dbraw/zinc/22/88/90/412228890.db2.gz YKJSXMUQGUPRSN-ZJUUUORDSA-N -1 0 304.368 -0.026 20 0 DBADRM COCCN1C[C@@H](C(=O)Nc2ccn(CC(=O)[O-])n2)CC1=O ZINC000663145177 412229070 /nfs/dbraw/zinc/22/90/70/412229070.db2.gz OHWYINLOACYXEE-VIFPVBQESA-N -1 0 310.310 -0.599 20 0 DBADRM Cn1c(=O)ccn(CC(=O)NC[C@H](C(=O)[O-])C2CCC2)c1=O ZINC000663151171 412229285 /nfs/dbraw/zinc/22/92/85/412229285.db2.gz YAPHHIIIDULYMX-JTQLQIEISA-N -1 0 309.322 -0.836 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663145845 412229420 /nfs/dbraw/zinc/22/94/20/412229420.db2.gz BFPMFCSHGMNIJL-JTQLQIEISA-N -1 0 311.338 -0.065 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663154311 412229467 /nfs/dbraw/zinc/22/94/67/412229467.db2.gz ZOBATJWMXKWPBX-JTQLQIEISA-N -1 0 306.384 -0.115 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)[O-])N(S(=O)(=O)C1(C)CC1)C2 ZINC000663252220 412230227 /nfs/dbraw/zinc/23/02/27/412230227.db2.gz DBDYPKJEDBKFOT-MRVPVSSYSA-N -1 0 300.340 -0.262 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)[O-])N(S(=O)(=O)c1ccoc1)C2 ZINC000663252241 412230236 /nfs/dbraw/zinc/23/02/36/412230236.db2.gz DSPOXMFIIJDGAS-SECBINFHSA-N -1 0 312.307 -0.163 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)[O-])N(S(=O)(=O)CC1CCC1)C2 ZINC000663252998 412230291 /nfs/dbraw/zinc/23/02/91/412230291.db2.gz NRNUJBVQOMHZPU-SNVBAGLBSA-N -1 0 314.367 -0.015 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000663429703 412233134 /nfs/dbraw/zinc/23/31/34/412233134.db2.gz GTWOSEKPRRFWJF-DCAQKATOSA-N -1 0 304.368 -0.252 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)NCCCn1ccnn1)C1CCC1 ZINC000663624231 412236633 /nfs/dbraw/zinc/23/66/33/412236633.db2.gz MPTDHBJXMMWHKN-LLVKDONJSA-N -1 0 323.353 -0.599 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCn2ncnc2C1)C1CCC1 ZINC000663633725 412236658 /nfs/dbraw/zinc/23/66/58/412236658.db2.gz SBAZVOKCVJHJPS-JTQLQIEISA-N -1 0 321.337 -0.763 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCOCCF)C1 ZINC000663628389 412236713 /nfs/dbraw/zinc/23/67/13/412236713.db2.gz BTAQOJPYDNEHBT-NXEZZACHSA-N -1 0 304.318 -0.342 20 0 DBADRM CCn1nccc1CNC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000663628553 412236888 /nfs/dbraw/zinc/23/68/88/412236888.db2.gz DDKSTWRVARHIQO-UHFFFAOYSA-N -1 0 308.338 -0.158 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)NCCOCCF)C1 ZINC000663630438 412236955 /nfs/dbraw/zinc/23/69/55/412236955.db2.gz NXBDBGTVAKSWMG-SNVBAGLBSA-N -1 0 304.318 -0.198 20 0 DBADRM CCn1ncnc1CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663624310 412237112 /nfs/dbraw/zinc/23/71/12/412237112.db2.gz MBZBYZITPIWSSH-JTQLQIEISA-N -1 0 323.353 -0.469 20 0 DBADRM CCn1nccc1CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000663629007 412237266 /nfs/dbraw/zinc/23/72/66/412237266.db2.gz IJKXCBBFBPRFBP-VHSXEESVSA-N -1 0 308.338 -0.111 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCC[C@H]1CCO)C1CCC1 ZINC000663639937 412237807 /nfs/dbraw/zinc/23/78/07/412237807.db2.gz ZCDGJVFBQAVHDW-NWDGAFQWSA-N -1 0 312.366 -0.023 20 0 DBADRM CN(CCOCCO)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663636826 412237831 /nfs/dbraw/zinc/23/78/31/412237831.db2.gz BSDAPOKIYMIUPE-NSHDSACASA-N -1 0 316.354 -0.929 20 0 DBADRM Cn1c(=O)cc(N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n(C)c1=O ZINC000663886178 412242679 /nfs/dbraw/zinc/24/26/79/412242679.db2.gz MYXGMPHNPSGYBC-QMMMGPOBSA-N -1 0 306.326 -0.708 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)N1CCN2C(=O)NC[C@H]2C1)C1CCC1 ZINC000665323966 412308788 /nfs/dbraw/zinc/30/87/88/412308788.db2.gz JKTIRXJXXBNREJ-QWRGUYRKSA-N -1 0 310.354 -0.094 20 0 DBADRM Cc1cc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)on1 ZINC000340932889 412341570 /nfs/dbraw/zinc/34/15/70/412341570.db2.gz QHKQIUUHQSSFRY-UHFFFAOYSA-N -1 0 303.325 0.458 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](Nc2nccn3cnnc23)C1=O ZINC000416447882 412344823 /nfs/dbraw/zinc/34/48/23/412344823.db2.gz SKMLDSMMVJLTJU-UWVGGRQHSA-N -1 0 318.337 0.246 20 0 DBADRM CC(C)c1nc(NCCn2cc(C(=O)[O-])nn2)nc(N(C)C)n1 ZINC000583384350 412355715 /nfs/dbraw/zinc/35/57/15/412355715.db2.gz POSJALOBJORRMT-UHFFFAOYSA-N -1 0 320.357 0.463 20 0 DBADRM Cn1[n-]c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1=O ZINC000665436134 412355879 /nfs/dbraw/zinc/35/58/79/412355879.db2.gz VMVBVQKFUVSCJD-UHFFFAOYSA-N -1 0 321.381 -0.494 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)nn1C ZINC000581666792 412362097 /nfs/dbraw/zinc/36/20/97/412362097.db2.gz AUXWCPALSWFUKO-PSASIEDQSA-N -1 0 308.338 0.236 20 0 DBADRM O=C([O-])[C@H](CNC(=O)NCC(=O)N1CCOCC1)C1CCC1 ZINC000665309502 412304989 /nfs/dbraw/zinc/30/49/89/412304989.db2.gz VLFCMVJPGALGGF-LLVKDONJSA-N -1 0 313.354 -0.355 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Nc2nncs2)[C@H](C(=O)[O-])C1 ZINC000565870479 412373640 /nfs/dbraw/zinc/37/36/40/412373640.db2.gz NRUXGZQWAYSLGR-RQJHMYQMSA-N -1 0 314.323 0.408 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Nc2nncs2)[C@@H](C(=O)[O-])C1 ZINC000565870478 412374643 /nfs/dbraw/zinc/37/46/43/412374643.db2.gz NRUXGZQWAYSLGR-RNFRBKRXSA-N -1 0 314.323 0.408 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccn(Cc2ccncc2)n1 ZINC000354158669 412377772 /nfs/dbraw/zinc/37/77/72/412377772.db2.gz QLEPVVAOSGZHRR-UHFFFAOYSA-N -1 0 314.309 0.472 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)Nc1nc2cc(Cl)ccn2n1 ZINC000353526358 412378155 /nfs/dbraw/zinc/37/81/55/412378155.db2.gz AWCTWOSJZVPMFR-UHFFFAOYSA-N -1 0 308.689 0.528 20 0 DBADRM CCN(CCCNc1ccc(C(=O)[O-])nn1)S(C)(=O)=O ZINC000565039141 412406182 /nfs/dbraw/zinc/40/61/82/412406182.db2.gz XOGONEVBUPBGAF-UHFFFAOYSA-N -1 0 302.356 0.258 20 0 DBADRM CCOC(=O)Cn1[n-]c(C)c(C(=O)Nc2cc(C)on2)c1=O ZINC000596009280 412419305 /nfs/dbraw/zinc/41/93/05/412419305.db2.gz NEBVKBUVUQESNO-LLVKDONJSA-N -1 0 308.294 0.319 20 0 DBADRM CO[C@@H]1COC[C@H]1n1cc(CNc2ccc(C(=O)[O-])nn2)nn1 ZINC000565719462 412420170 /nfs/dbraw/zinc/42/01/70/412420170.db2.gz XKEGLZWYGVBCBG-GHMZBOCLSA-N -1 0 320.309 -0.035 20 0 DBADRM CCOC(=O)Cn1cnc([N-]C(=O)c2cc(C(=O)OC)no2)n1 ZINC000591807746 412428865 /nfs/dbraw/zinc/42/88/65/412428865.db2.gz PUUWGDQMZLXBMJ-UHFFFAOYSA-N -1 0 323.265 -0.132 20 0 DBADRM CCOC(=O)c1cc(NC(=O)c2cnc([O-])n(C)c2=O)n[nH]1 ZINC000542834361 412431505 /nfs/dbraw/zinc/43/15/05/412431505.db2.gz GABVNEBUOGCQON-UHFFFAOYSA-N -1 0 307.266 -0.362 20 0 DBADRM Cc1ccnc2nc(C(=O)Nc3ccn(CC(=O)[O-])n3)nn21 ZINC000362608124 412438871 /nfs/dbraw/zinc/43/88/71/412438871.db2.gz YGNCHAZASBZVFW-UHFFFAOYSA-N -1 0 301.266 -0.034 20 0 DBADRM Cc1nc(NCCCc2n[nH]c(=O)[n-]2)sc1S(N)(=O)=O ZINC000338482805 412447433 /nfs/dbraw/zinc/44/74/33/412447433.db2.gz ARFSCYXVOLHFKT-UHFFFAOYSA-N -1 0 318.384 -0.033 20 0 DBADRM COc1nc(NC[C@@]2(O)CCS(=O)(=O)C2)ccc1C(=O)[O-] ZINC000563813684 412456286 /nfs/dbraw/zinc/45/62/86/412456286.db2.gz OBTUCCYVVQVLHO-LBPRGKRZSA-N -1 0 316.335 -0.250 20 0 DBADRM Cc1sc(NCCNS(=O)(=O)NC(C)C)nc1C(=O)[O-] ZINC000571214573 412467801 /nfs/dbraw/zinc/46/78/01/412467801.db2.gz OUIVSOKOSCQYLW-UHFFFAOYSA-N -1 0 322.412 0.394 20 0 DBADRM Cn1c(N[C@H]2CC[C@@H](C(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000570970427 412469224 /nfs/dbraw/zinc/46/92/24/412469224.db2.gz MXLVBSHHSMLBCL-RQJHMYQMSA-N -1 0 307.310 0.038 20 0 DBADRM CC(C)Oc1ccc(=NC(=O)C(=O)N[C@H]2C[C@@H](C(N)=O)C2)[n-]n1 ZINC000652022306 412475403 /nfs/dbraw/zinc/47/54/03/412475403.db2.gz ZAVMDFRIRMKXGW-KYZUINATSA-N -1 0 321.337 -0.996 20 0 DBADRM CC[C@@H]1C[C@@H](C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])CCO1 ZINC000333579113 287270335 /nfs/dbraw/zinc/27/03/35/287270335.db2.gz NOXSHMHSFMXNDL-IVZWLZJFSA-N -1 0 324.337 -0.016 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@]2(CCOC2)O1 ZINC000408326446 296933017 /nfs/dbraw/zinc/93/30/17/296933017.db2.gz MHFWQNSJAKISFX-OTYXRUKQSA-N -1 0 309.322 -0.494 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NCc1nc(C(=O)[O-])cs1 ZINC000650413435 418942530 /nfs/dbraw/zinc/94/25/30/418942530.db2.gz WOZDUZBEMILPQY-ZCFIWIBFSA-N -1 0 321.380 -0.263 20 0 DBADRM CNC(=O)CCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000625563865 418944059 /nfs/dbraw/zinc/94/40/59/418944059.db2.gz VXDSZDGRXFBNPM-UHFFFAOYSA-N -1 0 314.367 -0.291 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1=O ZINC000665807262 418948755 /nfs/dbraw/zinc/94/87/55/418948755.db2.gz MJNMDBWIEMDKLV-LLVKDONJSA-N -1 0 322.365 -0.163 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1=O ZINC000666335076 418979795 /nfs/dbraw/zinc/97/97/95/418979795.db2.gz WPEZAPQEECGXRM-MRVPVSSYSA-N -1 0 302.356 -0.721 20 0 DBADRM CC(C)(C)N1C[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1=O ZINC000666534684 418983545 /nfs/dbraw/zinc/98/35/45/418983545.db2.gz OJBWEMVNWAITGU-NXEZZACHSA-N -1 0 313.354 -0.119 20 0 DBADRM CN(C)C(=O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000666596000 418984638 /nfs/dbraw/zinc/98/46/38/418984638.db2.gz LGKLXPHCJDMPAS-UHFFFAOYSA-N -1 0 315.351 -0.752 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC2CCOCC2)c1 ZINC000666807391 418987494 /nfs/dbraw/zinc/98/74/94/418987494.db2.gz ZHKSAXBRLNRMBV-UHFFFAOYSA-N -1 0 300.336 -0.052 20 0 DBADRM Cc1cc(NC(=O)NCc2n[nH]c(=O)[n-]2)ccc1-n1cnnn1 ZINC000137048146 544419631 /nfs/dbraw/zinc/41/96/31/544419631.db2.gz VKEZHCNEMHPCLL-UHFFFAOYSA-N -1 0 315.297 -0.296 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1ccn2nnnc2c1)C1CCOCC1 ZINC000668304965 544424537 /nfs/dbraw/zinc/42/45/37/544424537.db2.gz ALVWXYBHUZAGEZ-LLVKDONJSA-N -1 0 305.294 -0.266 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000668299506 544425226 /nfs/dbraw/zinc/42/52/26/544425226.db2.gz IHJFRLSQPWLPFQ-SNVBAGLBSA-N -1 0 316.379 -0.122 20 0 DBADRM CN(C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1)S(C)(=O)=O ZINC000668324702 544427262 /nfs/dbraw/zinc/42/72/62/544427262.db2.gz YKPZNQADIDSTHE-AXFHLTTASA-N -1 0 318.395 -0.163 20 0 DBADRM COCCNC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000170302973 544433362 /nfs/dbraw/zinc/43/33/62/544433362.db2.gz VVJRBMCYYXUTBV-JTQLQIEISA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000650421898 544447708 /nfs/dbraw/zinc/44/77/08/544447708.db2.gz IQTSMFWBMYAQRB-UWVGGRQHSA-N -1 0 318.395 -0.020 20 0 DBADRM COc1ccc(OC)c(CCNC(=O)c2n[nH]c(=O)[n-]c2=O)c1 ZINC000074733792 544474845 /nfs/dbraw/zinc/47/48/45/544474845.db2.gz DGFVCLDSZCEZDV-UHFFFAOYSA-N -1 0 320.305 -0.140 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000074733785 544475357 /nfs/dbraw/zinc/47/53/57/544475357.db2.gz SCCBPWXCJYXJOI-UHFFFAOYSA-N -1 0 319.296 -0.028 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cn(Cc2cccc(F)c2)nn1 ZINC000675226395 544487538 /nfs/dbraw/zinc/48/75/38/544487538.db2.gz QUJICIBYNRCMQB-UHFFFAOYSA-N -1 0 302.273 -0.091 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC000400172342 544487763 /nfs/dbraw/zinc/48/77/63/544487763.db2.gz NOHRFYKWBFLRNR-GUBZILKMSA-N -1 0 320.367 -0.841 20 0 DBADRM COCCCNC(=O)CN(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000222591538 544491151 /nfs/dbraw/zinc/49/11/51/544491151.db2.gz WUNOWBRINSRUEJ-NXEZZACHSA-N -1 0 302.327 -0.770 20 0 DBADRM Cn1ccc(N2CCC[C@@H](NC(=O)c3cc(=O)n(C)[n-]3)C2=O)n1 ZINC000669260637 544540936 /nfs/dbraw/zinc/54/09/36/544540936.db2.gz KHIVBSHSMOTGAR-SECBINFHSA-N -1 0 318.337 -0.215 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)nn1 ZINC000675987470 544542181 /nfs/dbraw/zinc/54/21/81/544542181.db2.gz XYWOARNNFWAJSA-JTQLQIEISA-N -1 0 311.342 -0.405 20 0 DBADRM C[C@H](CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])n1ccnc1 ZINC000653289977 544502634 /nfs/dbraw/zinc/50/26/34/544502634.db2.gz FHUYPKSSGASBBN-NXEZZACHSA-N -1 0 315.351 -0.456 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@@H]1C(=O)[O-] ZINC000653291072 544502713 /nfs/dbraw/zinc/50/27/13/544502713.db2.gz QSBTWXKCSUVWLH-QWRGUYRKSA-N -1 0 322.365 -0.050 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)NS(C)(=O)=O ZINC000232524757 544579883 /nfs/dbraw/zinc/57/98/83/544579883.db2.gz MOIUNRWWMKGERC-BDAKNGLRSA-N -1 0 306.384 -0.069 20 0 DBADRM CC[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000087485737 544581417 /nfs/dbraw/zinc/58/14/17/544581417.db2.gz URWKPBCDNOBOHR-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM Cc1cc(C(=O)NC[C@](C)(O)C(=O)[O-])ccc1S(N)(=O)=O ZINC000681130722 544592698 /nfs/dbraw/zinc/59/26/98/544592698.db2.gz UUPZFXQBFHLCBN-LBPRGKRZSA-N -1 0 316.335 -0.792 20 0 DBADRM CC(=O)Nc1ccc(C)c(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1 ZINC000090262586 544594784 /nfs/dbraw/zinc/59/47/84/544594784.db2.gz QZMSKQWMPOMIFS-SNVBAGLBSA-N -1 0 316.335 -0.323 20 0 DBADRM Cn1nnnc1CCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000678577329 544611518 /nfs/dbraw/zinc/61/15/18/544611518.db2.gz CQHSVJXQQVLFGZ-UHFFFAOYSA-N -1 0 324.366 -0.446 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@]2(O)CCSC2)s1 ZINC000345671131 544623161 /nfs/dbraw/zinc/62/31/61/544623161.db2.gz VYIBPISEMYIYGU-QMMMGPOBSA-N -1 0 324.409 -0.284 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c1C ZINC000262957663 544664899 /nfs/dbraw/zinc/66/48/99/544664899.db2.gz NNSFUXMYCHTJQP-GMSGAONNSA-N -1 0 309.322 -0.289 20 0 DBADRM CC(C)(CNC(=O)N(CC(=O)[O-])C1CC1)NS(C)(=O)=O ZINC000111774596 544680127 /nfs/dbraw/zinc/68/01/27/544680127.db2.gz IKAIPHRCIUJBFD-UHFFFAOYSA-N -1 0 307.372 -0.427 20 0 DBADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])cn1)NS(C)(=O)=O ZINC000111775215 544680235 /nfs/dbraw/zinc/68/02/35/544680235.db2.gz CEMVJNLVTBMJBB-UHFFFAOYSA-N -1 0 315.351 -0.163 20 0 DBADRM CN(C)c1cccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1 ZINC000670324807 544683465 /nfs/dbraw/zinc/68/34/65/544683465.db2.gz NBBOXTZIVLPJDE-NSHDSACASA-N -1 0 302.352 -0.134 20 0 DBADRM CN(C(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000313982516 544726375 /nfs/dbraw/zinc/72/63/75/544726375.db2.gz MLNSVGWNNQKTIK-GUBZILKMSA-N -1 0 320.367 -0.889 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000262315133 544697098 /nfs/dbraw/zinc/69/70/98/544697098.db2.gz QOEPXJRPKXTDDQ-XFWSIPNHSA-N -1 0 307.368 -0.101 20 0 DBADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000667667264 544746209 /nfs/dbraw/zinc/74/62/09/544746209.db2.gz IMXRPHVAIJETTC-QMMMGPOBSA-N -1 0 316.273 -0.052 20 0 DBADRM Cn1[n-]c(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1=O ZINC000668187872 544757320 /nfs/dbraw/zinc/75/73/20/544757320.db2.gz VFNQRHPUEVPWMH-UHFFFAOYSA-N -1 0 320.353 -0.093 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2nccn3nnnc23)C1=O ZINC000668171828 544757423 /nfs/dbraw/zinc/75/74/23/544757423.db2.gz FIEQNBVLIFEIKN-BDAKNGLRSA-N -1 0 319.325 -0.359 20 0 DBADRM C[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)C[C@H](CO)O1 ZINC000318602617 544743190 /nfs/dbraw/zinc/74/31/90/544743190.db2.gz ZVSZNGRKNOUFTL-GHMZBOCLSA-N -1 0 316.354 -0.341 20 0 DBADRM CCNC(=O)CN(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000673644903 544806999 /nfs/dbraw/zinc/80/69/99/544806999.db2.gz UQUBFVOKUJDORP-UHFFFAOYSA-N -1 0 319.321 -0.047 20 0 DBADRM Cc1cc(C(=O)NCc2cn[nH]n2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000674755559 544835324 /nfs/dbraw/zinc/83/53/24/544835324.db2.gz VHEGVYKXUBMHML-UHFFFAOYSA-N -1 0 301.266 -0.207 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N(CCC(=O)[O-])C1CC1 ZINC000675969291 544856204 /nfs/dbraw/zinc/85/62/04/544856204.db2.gz GTLKLWQFEOCBIU-UHFFFAOYSA-N -1 0 313.354 -0.515 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000675998957 544855869 /nfs/dbraw/zinc/85/58/69/544855869.db2.gz XACOQPJOMCQIPX-AXFHLTTASA-N -1 0 324.333 -0.526 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N(CC(=O)[O-])CC1CC1)c2=O ZINC000675973045 544856466 /nfs/dbraw/zinc/85/64/66/544856466.db2.gz BYPQOEHDEZXESK-UHFFFAOYSA-N -1 0 319.321 -0.547 20 0 DBADRM C[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)[O-] ZINC000676209105 544860100 /nfs/dbraw/zinc/86/01/00/544860100.db2.gz YPMXBADTNCWICG-VIFPVBQESA-N -1 0 314.363 -0.019 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC000676695846 544876100 /nfs/dbraw/zinc/87/61/00/544876100.db2.gz DODVSZXYEHXENX-UHFFFAOYSA-N -1 0 309.370 -0.292 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(CCn3cncn3)CC2)c1[O-] ZINC000676697667 544876143 /nfs/dbraw/zinc/87/61/43/544876143.db2.gz CAFGMSYNZHPZBP-UHFFFAOYSA-N -1 0 305.342 -0.527 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000676696839 544876362 /nfs/dbraw/zinc/87/63/62/544876362.db2.gz ITZUZZCJIAZYBJ-UHFFFAOYSA-N -1 0 316.383 -0.175 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)NCc1ccccc1 ZINC000677949491 544902820 /nfs/dbraw/zinc/90/28/20/544902820.db2.gz JANLUDTZNBEOAK-MRVPVSSYSA-N -1 0 317.305 -0.283 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000677047752 544883493 /nfs/dbraw/zinc/88/34/93/544883493.db2.gz JAJSIIJVOAXPOF-SNVBAGLBSA-N -1 0 315.399 -0.024 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000677111368 544884908 /nfs/dbraw/zinc/88/49/08/544884908.db2.gz IBPSDKKNJJRZHW-QMMMGPOBSA-N -1 0 302.356 -0.565 20 0 DBADRM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)[C@H]1CCNC(=O)C1 ZINC000677203454 544886259 /nfs/dbraw/zinc/88/62/59/544886259.db2.gz MDSRKERJJXCMEB-JQWIXIFHSA-N -1 0 300.322 -0.069 20 0 DBADRM Cc1ccc(C(=O)NCCC(=O)NCc2nnn[n-]2)c(O)c1 ZINC000680438150 544947186 /nfs/dbraw/zinc/94/71/86/544947186.db2.gz OMXAFRADDGJEMA-UHFFFAOYSA-N -1 0 304.310 -0.350 20 0 DBADRM COCCN1CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1=O ZINC000678233557 544910775 /nfs/dbraw/zinc/91/07/75/544910775.db2.gz IHLBKKOSTJCFHF-UHFFFAOYSA-N -1 0 307.306 -0.289 20 0 DBADRM Cn1cnn(CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c1=O ZINC000678351518 544912708 /nfs/dbraw/zinc/91/27/08/544912708.db2.gz KKGDTBXFYSZZGR-UHFFFAOYSA-N -1 0 316.277 -0.436 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)NC3(CO)CC3)cc-2c(=O)[n-]1 ZINC000678802378 544921499 /nfs/dbraw/zinc/92/14/99/544921499.db2.gz WTFODLHRQUBRTB-UHFFFAOYSA-N -1 0 312.307 -0.761 20 0 DBADRM CN1CCc2ccc(NC(=O)C(=O)NCc3nnn[n-]3)cc21 ZINC000678909730 544923582 /nfs/dbraw/zinc/92/35/82/544923582.db2.gz JFEAMDWDDUNQPH-UHFFFAOYSA-N -1 0 301.310 -0.553 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000678990790 544924492 /nfs/dbraw/zinc/92/44/92/544924492.db2.gz XTPUDEAQVMXAND-FCHSOHFDSA-N -1 0 324.333 -0.479 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](OCCN3CCOCC3)C2)c1[O-] ZINC000679238060 544927018 /nfs/dbraw/zinc/92/70/18/544927018.db2.gz XMMMQIPMHUOWLG-LBPRGKRZSA-N -1 0 324.381 -0.013 20 0 DBADRM Cn1cnn(CC(=O)N[C@H](c2nnn[n-]2)c2ccccc2)c1=O ZINC000679721101 544937063 /nfs/dbraw/zinc/93/70/63/544937063.db2.gz HJSBNRKNSMGCNK-NSHDSACASA-N -1 0 314.309 -0.999 20 0 DBADRM O=C(COCCNC(=O)c1ccccc1)NCc1nnn[n-]1 ZINC000680196839 544943649 /nfs/dbraw/zinc/94/36/49/544943649.db2.gz PVFZMEMIOYKRLD-UHFFFAOYSA-N -1 0 304.310 -0.738 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000680319341 544946195 /nfs/dbraw/zinc/94/61/95/544946195.db2.gz XFQPUSYKPDCZMH-LLVKDONJSA-N -1 0 324.366 -0.703 20 0 DBADRM CCC[C@@H](NC(=O)CNC(=O)c1ccncc1)c1nnn[n-]1 ZINC000681120252 544964282 /nfs/dbraw/zinc/96/42/82/544964282.db2.gz GGIAABXFXBFJMS-SNVBAGLBSA-N -1 0 303.326 -0.018 20 0 DBADRM C[C@H](CN(C)C(=O)CS(=O)(=O)NC(C)(C)C)c1nnn[n-]1 ZINC000681355523 544971031 /nfs/dbraw/zinc/97/10/31/544971031.db2.gz WCYITMBFBFFEME-MRVPVSSYSA-N -1 0 318.403 -0.521 20 0 DBADRM CC(C)c1nc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c[nH]1 ZINC000681556074 544975021 /nfs/dbraw/zinc/97/50/21/544975021.db2.gz VZZIFTDQABLTOC-ZCFIWIBFSA-N -1 0 304.328 -0.860 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N(CCO)CCC(=O)[O-] ZINC000681585295 544975673 /nfs/dbraw/zinc/97/56/73/544975673.db2.gz OQSDHEUHEUYTEO-UHFFFAOYSA-N -1 0 305.356 -0.505 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000681586328 544975808 /nfs/dbraw/zinc/97/58/08/544975808.db2.gz KWIIVUIBAMHZQE-VIFPVBQESA-N -1 0 303.340 -0.233 20 0 DBADRM CCc1nn(C)c(CC)c1S(=O)(=O)NCCOCC(=O)[O-] ZINC000681578902 544975820 /nfs/dbraw/zinc/97/58/20/544975820.db2.gz HTSFJYAZEWCYJJ-UHFFFAOYSA-N -1 0 319.383 -0.076 20 0 DBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H](COC)C(=O)[O-] ZINC000681580741 544975823 /nfs/dbraw/zinc/97/58/23/544975823.db2.gz NJUZZNAUIPFCHN-SECBINFHSA-N -1 0 319.383 -0.077 20 0 DBADRM CC[C@H](CNS(=O)(=O)c1cnn(CCOC)c1)C(=O)[O-] ZINC000681571051 544975825 /nfs/dbraw/zinc/97/58/25/544975825.db2.gz KWKLIXUFEQPSFE-SECBINFHSA-N -1 0 305.356 -0.081 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N(CCO)CCC(=O)[O-])C[C@@H](C)O1 ZINC000681585523 544976116 /nfs/dbraw/zinc/97/61/16/544976116.db2.gz WJFRSZFUNMGVBX-NXEZZACHSA-N -1 0 310.372 -0.891 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])CCO1 ZINC000681587517 544976995 /nfs/dbraw/zinc/97/69/95/544976995.db2.gz BYMYXONVIHGIMS-SNVBAGLBSA-N -1 0 322.383 -0.483 20 0 DBADRM CC(C)CN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1=O ZINC000681762998 544979970 /nfs/dbraw/zinc/97/99/70/544979970.db2.gz VFICVZZLXCOPLT-QMMMGPOBSA-N -1 0 309.326 -0.388 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC000682523651 545000604 /nfs/dbraw/zinc/00/06/04/545000604.db2.gz NKYCRCBNKMGTQF-AEJSXWLSSA-N -1 0 307.368 -0.100 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)c[nH]1 ZINC000683433776 545010393 /nfs/dbraw/zinc/01/03/93/545010393.db2.gz FWPYQXGWYMRBLY-JOYOIKCWSA-N -1 0 315.351 -0.170 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)CC[C@H]1CCCO1 ZINC000683730179 545012684 /nfs/dbraw/zinc/01/26/84/545012684.db2.gz KPSZNZRMMRPKAG-SECBINFHSA-N -1 0 308.356 -0.934 20 0 DBADRM Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@H](CO)C(=O)[O-] ZINC000683921265 545015394 /nfs/dbraw/zinc/01/53/94/545015394.db2.gz QSWBHUMIFYZHKD-SNVBAGLBSA-N -1 0 306.282 -0.462 20 0 DBADRM O=C(CN1CCOCC1=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000684127819 545017690 /nfs/dbraw/zinc/01/76/90/545017690.db2.gz ODCTZXJRVRNEIX-ZDUSSCGKSA-N -1 0 316.321 -0.736 20 0 DBADRM CN1CC[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000684488450 545021242 /nfs/dbraw/zinc/02/12/42/545021242.db2.gz SHAFRNDOWYBMDO-QMMMGPOBSA-N -1 0 317.305 -0.213 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N(CCO)CCC(=O)[O-] ZINC000684655964 545022919 /nfs/dbraw/zinc/02/29/19/545022919.db2.gz YCWYBYCLCCJHBQ-UHFFFAOYSA-N -1 0 311.747 -0.469 20 0 DBADRM CN(CCCNC(=O)N[C@@H](C(=O)[O-])C1CC1)S(C)(=O)=O ZINC000684721068 545023180 /nfs/dbraw/zinc/02/31/80/545023180.db2.gz LWSLFJAJTZKVGL-SECBINFHSA-N -1 0 307.372 -0.570 20 0 DBADRM O=C([O-])[C@H](NC(=O)NCc1nnnn1C1CC1)[C@@H]1CCCOC1 ZINC000684736416 545023378 /nfs/dbraw/zinc/02/33/78/545023378.db2.gz PXZQJLWVKSOIIX-LDYMZIIASA-N -1 0 324.341 -0.313 20 0 DBADRM CC(C)(CNC(=O)c1cnc(C(=O)[O-])cn1)S(C)(=O)=O ZINC000685019681 545025264 /nfs/dbraw/zinc/02/52/64/545025264.db2.gz WZIANVGRMCMSOC-UHFFFAOYSA-N -1 0 301.324 -0.272 20 0 DBADRM CCOC[C@H](NS(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-] ZINC000685898413 545034997 /nfs/dbraw/zinc/03/49/97/545034997.db2.gz LJOVLXYGFDGHIF-VIFPVBQESA-N -1 0 305.356 -0.021 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000043703046 545037299 /nfs/dbraw/zinc/03/72/99/545037299.db2.gz ITOFYOAGTJIYOS-SECBINFHSA-N -1 0 303.340 -0.489 20 0 DBADRM COCC[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000052784570 545037904 /nfs/dbraw/zinc/03/79/04/545037904.db2.gz DWLJCKQMVQMVAS-IUCAKERBSA-N -1 0 308.356 -0.984 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)NCC(C)(C)NS(C)(=O)=O)C1CC1 ZINC000383273106 545038075 /nfs/dbraw/zinc/03/80/75/545038075.db2.gz FLLPRZZODUZBQZ-MRVPVSSYSA-N -1 0 321.399 -0.039 20 0 DBADRM CC(C)(C)OC[C@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000314430630 265685340 /nfs/dbraw/zinc/68/53/40/265685340.db2.gz AVYJDLPOQMVQLI-VIFPVBQESA-N -1 0 322.383 -0.305 20 0 DBADRM Cc1ccc(S(=O)(=O)NCc2nnn(C)n2)cc1C(=O)[O-] ZINC000398098548 265721409 /nfs/dbraw/zinc/72/14/09/265721409.db2.gz RTTMGKPPETVTRH-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000399096037 265722370 /nfs/dbraw/zinc/72/23/70/265722370.db2.gz SPGFGPBROAEQQX-IUCAKERBSA-N -1 0 311.338 -0.114 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)N(C)C)C1=O ZINC000417446894 265744955 /nfs/dbraw/zinc/74/49/55/265744955.db2.gz NMUWEYJRFSNYKW-BDAKNGLRSA-N -1 0 307.372 -0.908 20 0 DBADRM COC(=O)[C@H]1CCCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC000422728349 265880403 /nfs/dbraw/zinc/88/04/03/265880403.db2.gz FWAINQUWQUSBBB-UWVGGRQHSA-N -1 0 314.338 -0.423 20 0 DBADRM CCN(CC(C)(C)O)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000422815641 265880636 /nfs/dbraw/zinc/88/06/36/265880636.db2.gz CCMIQFVQEAKMJM-SNVBAGLBSA-N -1 0 300.355 -0.071 20 0 DBADRM COCCOC1CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000422858156 265882538 /nfs/dbraw/zinc/88/25/38/265882538.db2.gz IPQJWKMJGVTVKU-AWEZNQCLSA-N -1 0 314.338 -0.817 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000422864458 265882749 /nfs/dbraw/zinc/88/27/49/265882749.db2.gz NCMOGMJRYXQVTI-WDEREUQCSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@@H](CO)[C@H]1C)C(=O)[O-] ZINC000422932030 265883448 /nfs/dbraw/zinc/88/34/48/265883448.db2.gz YMAYOZAGHOROKR-MXWKQRLJSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCSC[C@H]1CCO)C(=O)[O-] ZINC000422904181 265884102 /nfs/dbraw/zinc/88/41/02/265884102.db2.gz PTYXWSOFAQWXRI-NXEZZACHSA-N -1 0 318.395 -0.508 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N(C)CCCC(=O)[O-])[C@H]1C ZINC000422921902 265884173 /nfs/dbraw/zinc/88/41/73/265884173.db2.gz PJXVQBLZTACPED-VHSXEESVSA-N -1 0 314.338 -0.280 20 0 DBADRM CCCCO[C@H](C)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424248723 265928686 /nfs/dbraw/zinc/92/86/86/265928686.db2.gz SMCXVPLKHFUERO-NXEZZACHSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)(CCNC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000424240884 265928825 /nfs/dbraw/zinc/92/88/25/265928825.db2.gz YBRMSITXEWRDIP-UHFFFAOYSA-N -1 0 315.351 -0.040 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cnn3ncccc23)CCS1(=O)=O ZINC000424254060 265928831 /nfs/dbraw/zinc/92/88/31/265928831.db2.gz YAOUPBWFOJYFSO-SNVBAGLBSA-N -1 0 324.318 -0.947 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ncc(F)cc2F)CCS1(=O)=O ZINC000424235934 265928834 /nfs/dbraw/zinc/92/88/34/265928834.db2.gz GKDVPRRFSRWSLP-QMMMGPOBSA-N -1 0 320.273 -0.316 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424369654 265930049 /nfs/dbraw/zinc/93/00/49/265930049.db2.gz RNBYXMATPYDVKV-GXSJLCMTSA-N -1 0 322.383 -0.089 20 0 DBADRM Cc1ccoc1CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424397753 265931494 /nfs/dbraw/zinc/93/14/94/265931494.db2.gz LASLSUXMSAUXSZ-SNVBAGLBSA-N -1 0 316.335 -0.019 20 0 DBADRM Cc1ncc(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cn1 ZINC000424386323 265932002 /nfs/dbraw/zinc/93/20/02/265932002.db2.gz VHLCEDMFNFCHTK-SECBINFHSA-N -1 0 314.323 -0.499 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCC(=O)N(C)C)C(=O)[O-] ZINC000424440403 265933530 /nfs/dbraw/zinc/93/35/30/265933530.db2.gz WEPXDBLFEOXADH-SECBINFHSA-N -1 0 301.343 -0.946 20 0 DBADRM COc1ccnc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC000424468933 265934232 /nfs/dbraw/zinc/93/42/32/265934232.db2.gz AMIGUKOYOSWABE-MRVPVSSYSA-N -1 0 308.294 -0.966 20 0 DBADRM CC(C)(O)CCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424456069 265935250 /nfs/dbraw/zinc/93/52/50/265935250.db2.gz VZDXQJGGVNDHEC-QMMMGPOBSA-N -1 0 308.356 -0.959 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C[C@H](CO)O1 ZINC000424475597 265936577 /nfs/dbraw/zinc/93/65/77/265936577.db2.gz BXLMRJXONWIFLR-VHSXEESVSA-N -1 0 316.354 -0.788 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CC[C@](O)(C2CC2)C1)C(=O)[O-] ZINC000424484270 265936772 /nfs/dbraw/zinc/93/67/72/265936772.db2.gz SZQPJUVGYNAOQX-OAHLLOKOSA-N -1 0 312.366 -0.023 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCCC(=O)N(C)C)C(=O)[O-] ZINC000424527688 265939223 /nfs/dbraw/zinc/93/92/23/265939223.db2.gz XXRHSTUUNAXVFP-JTQLQIEISA-N -1 0 315.370 -0.556 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CC(N)=O)oc1C ZINC000431830120 266025988 /nfs/dbraw/zinc/02/59/88/266025988.db2.gz HWTMFVOTLBFSJL-LURJTMIESA-N -1 0 304.324 -0.083 20 0 DBADRM C[N@H+](CC(=O)[O-])[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)C[C@H]1O ZINC000435699385 266063445 /nfs/dbraw/zinc/06/34/45/266063445.db2.gz XOZODZOPLZDQTA-NWDGAFQWSA-N -1 0 322.317 -0.414 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c2=O ZINC000435717853 266063704 /nfs/dbraw/zinc/06/37/04/266063704.db2.gz SKRXVWQIPCGMEN-DTWKUNHWSA-N -1 0 319.321 -0.501 20 0 DBADRM C[N@H+](CC(=O)[O-])[C@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)C[C@H]1O ZINC000435709540 266063780 /nfs/dbraw/zinc/06/37/80/266063780.db2.gz PMJXIGMYEIZVCW-NWDGAFQWSA-N -1 0 322.317 -0.414 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2cnc(C(=O)[O-])cn2)CC1=O ZINC000439925772 266094546 /nfs/dbraw/zinc/09/45/46/266094546.db2.gz CFAIIKDIZXZNAJ-SOCHQFKDSA-N -1 0 304.306 -0.086 20 0 DBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N[C@H]2CNC(=O)C2)s[n-]1 ZINC000440470075 266102476 /nfs/dbraw/zinc/10/24/76/266102476.db2.gz LZSFBNKMNCSANH-ZCFIWIBFSA-N -1 0 311.367 -0.799 20 0 DBADRM CCS(=O)(=O)N1CC(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC000442661894 266127194 /nfs/dbraw/zinc/12/71/94/266127194.db2.gz OVUOTDJVGGSFOC-UWVGGRQHSA-N -1 0 320.367 -0.984 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000442750222 266128861 /nfs/dbraw/zinc/12/88/61/266128861.db2.gz OXPBVJHDUMTQFE-SECBINFHSA-N -1 0 321.337 -0.158 20 0 DBADRM C[C@H]1COCCN1CCNS(=O)(=O)[N-]CC(F)(F)F ZINC000442945428 266133293 /nfs/dbraw/zinc/13/32/93/266133293.db2.gz ALDWJGOYOWSMAJ-QMMMGPOBSA-N -1 0 305.322 -0.307 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)[N-]CC(F)(F)F)C(=O)OC ZINC000443013952 266133374 /nfs/dbraw/zinc/13/33/74/266133374.db2.gz XXEQBSJBWTXDKT-SSDOTTSWSA-N -1 0 308.278 -0.449 20 0 DBADRM O=C1CCC(=O)N1CCNS(=O)(=O)[N-]CC(F)(F)F ZINC000442949056 266133653 /nfs/dbraw/zinc/13/36/53/266133653.db2.gz BBEFYZUZXKKTFB-UHFFFAOYSA-N -1 0 303.262 -0.878 20 0 DBADRM C[C@H]1CN(S(=O)(=O)[N-]CC(F)(F)F)CCS1(=O)=O ZINC000442944341 266134226 /nfs/dbraw/zinc/13/42/26/266134226.db2.gz LZSQJTJUKIMXMI-LURJTMIESA-N -1 0 310.319 -0.498 20 0 DBADRM Cn1cc([C@@H](CO)NS(=O)(=O)[N-]CC(F)(F)F)cn1 ZINC000443018999 266135079 /nfs/dbraw/zinc/13/50/79/266135079.db2.gz CPTXTHQUHPKBOO-SSDOTTSWSA-N -1 0 302.278 -0.560 20 0 DBADRM CCOC(=O)[C@@](C)(O)CNS(=O)(=O)[N-]CC(F)(F)F ZINC000443040693 266135730 /nfs/dbraw/zinc/13/57/30/266135730.db2.gz FIFGBPCJKFBQGP-ZETCQYMHSA-N -1 0 308.278 -0.713 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](C)OC)c1ccn(C)n1 ZINC000443216497 266138977 /nfs/dbraw/zinc/13/89/77/266138977.db2.gz UFQRRXXLOAUCFT-SCZZXKLOSA-N -1 0 305.356 -0.412 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)[N-][C@@]1(C(=O)OC)CCOC1 ZINC000451298972 266144959 /nfs/dbraw/zinc/14/49/59/266144959.db2.gz XXFYWLHBLZQDAM-PWSUYJOCSA-N -1 0 309.384 -0.090 20 0 DBADRM Cc1c(/C=C\C(=O)[N-]S(=O)(=O)N2CCOCC2)cnn1C ZINC000492303605 266158400 /nfs/dbraw/zinc/15/84/00/266158400.db2.gz HUSKCGHFAZKNNY-ARJAWSKDSA-N -1 0 314.367 -0.565 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C\c1ccnn1C)[C@@H](C)C(=O)[O-] ZINC000492527346 266162805 /nfs/dbraw/zinc/16/28/05/266162805.db2.gz DSBZIRVHRBRAET-LWTINBJPSA-N -1 0 308.338 -0.129 20 0 DBADRM Cc1nn(C)c(Cl)c1/C=C/C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000492638491 266162818 /nfs/dbraw/zinc/16/28/18/266162818.db2.gz CSXDFKTUHKXITR-ONEGZZNKSA-N -1 0 320.758 -0.674 20 0 DBADRM COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)c2ccnn2C)cn1 ZINC000492641230 266163013 /nfs/dbraw/zinc/16/30/13/266163013.db2.gz CGJHELYOHVBCAU-ARJAWSKDSA-N -1 0 323.334 -0.263 20 0 DBADRM COc1cncc(/C=C/C(=O)[N-]S(=O)(=O)c2cnnn2C)c1 ZINC000492706624 266164131 /nfs/dbraw/zinc/16/41/31/266164131.db2.gz OYYPFYLWODFVBE-ONEGZZNKSA-N -1 0 323.334 -0.263 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C/c1cncc(O)c1 ZINC000492857434 266167315 /nfs/dbraw/zinc/16/73/15/266167315.db2.gz KJTREVSPLHQTIL-NSCUHMNNSA-N -1 0 313.335 -0.618 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C\c1cncc(F)c1 ZINC000492950466 266169184 /nfs/dbraw/zinc/16/91/84/266169184.db2.gz IUSBUQCCBOSATO-IHWYPQMZSA-N -1 0 315.326 -0.184 20 0 DBADRM COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cn1 ZINC000493113123 266170595 /nfs/dbraw/zinc/17/05/95/266170595.db2.gz FKAOLEMMWAUNKA-ZMWSMAPVSA-N -1 0 313.335 -0.267 20 0 DBADRM CO[C@@H](CNC(=O)CNC(=O)/C=C/c1cccnc1)C(=O)[O-] ZINC000493197239 266171351 /nfs/dbraw/zinc/17/13/51/266171351.db2.gz AKRGKJXTEAVUND-ZWNMCFTASA-N -1 0 307.306 -0.573 20 0 DBADRM CNC(=O)c1cncc(C=CC(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000493285630 266173321 /nfs/dbraw/zinc/17/33/21/266173321.db2.gz ACABIPHMDKPFBL-IHWYPQMZSA-N -1 0 313.321 -0.227 20 0 DBADRM CNC(=O)c1ccc(/C=C\C(=O)[N-]S(=O)(=O)C2COC2)cc1 ZINC000493387918 266174935 /nfs/dbraw/zinc/17/49/35/266174935.db2.gz PUHQCAUFAUABSM-DAXSKMNVSA-N -1 0 324.358 -0.096 20 0 DBADRM COC[C@@](C)(NC(=O)CNC(=O)/C=C\c1cccnc1)C(=O)[O-] ZINC000493361800 266175037 /nfs/dbraw/zinc/17/50/37/266175037.db2.gz YTCQHPTZSFGFBO-IYKSTZQJSA-N -1 0 321.333 -0.183 20 0 DBADRM Cn1nccc1C=CC(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000493431775 266176387 /nfs/dbraw/zinc/17/63/87/266176387.db2.gz JUQYKVHQSHRQMI-GKQMSVHHSA-N -1 0 318.293 -0.774 20 0 DBADRM O=C(C=Cc1cccnc1)NCC(=O)NC1(c2nnn[n-]2)CC1 ZINC000493523698 266178303 /nfs/dbraw/zinc/17/83/03/266178303.db2.gz PARLFQKOLMUOHC-ARJAWSKDSA-N -1 0 313.321 -0.470 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)/C=C\c2cscn2)CCS1(=O)=O ZINC000493656374 266179430 /nfs/dbraw/zinc/17/94/30/266179430.db2.gz HKLDMKNNZQSYCH-JKERVTFKSA-N -1 0 316.360 -0.134 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@H](CC2CC2)C(=O)[O-])c(=O)n(C)c1=O ZINC000493671375 266181000 /nfs/dbraw/zinc/18/10/00/266181000.db2.gz AFJXVNWKADZZKS-ISALQUGTSA-N -1 0 321.333 -0.533 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@@H](CC2CC2)C(=O)[O-])c(=O)n(C)c1=O ZINC000493671374 266181029 /nfs/dbraw/zinc/18/10/29/266181029.db2.gz AFJXVNWKADZZKS-GZTOBOFZSA-N -1 0 321.333 -0.533 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC000493788944 266182267 /nfs/dbraw/zinc/18/22/67/266182267.db2.gz NGHLSDSVBKHINK-IYNCYZAOSA-N -1 0 321.333 -0.439 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC000493788942 266182476 /nfs/dbraw/zinc/18/24/76/266182476.db2.gz NGHLSDSVBKHINK-ILFKPUCNSA-N -1 0 321.333 -0.439 20 0 DBADRM C[C@@](O)(CNC(=O)CNC(=O)OCC(F)(F)F)C(=O)[O-] ZINC000495342141 266204602 /nfs/dbraw/zinc/20/46/02/266204602.db2.gz JMDHUARNBMRCMN-MRVPVSSYSA-N -1 0 302.205 -0.773 20 0 DBADRM C[C@H](CO[N-]C(=O)CN1CN=NC1=O)NC(=O)OC(C)(C)C ZINC000495508162 266206990 /nfs/dbraw/zinc/20/69/90/266206990.db2.gz GSXYAXXWZYSFGJ-MRVPVSSYSA-N -1 0 315.330 -0.055 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000496199647 266229210 /nfs/dbraw/zinc/22/92/10/266229210.db2.gz JZDJKRQWEFVDMR-UHFFFAOYSA-N -1 0 305.287 -0.228 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)[N-]c2cn(C)nn2)CC1 ZINC000496408023 266233998 /nfs/dbraw/zinc/23/39/98/266233998.db2.gz XKAJDHGXRDROJY-UHFFFAOYSA-N -1 0 318.359 -0.754 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000496366421 266234479 /nfs/dbraw/zinc/23/44/79/266234479.db2.gz XTKNUVDXZPIWIT-KWQFWETISA-N -1 0 307.306 -0.265 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)CCC(C)(C)OC ZINC000496482084 266237662 /nfs/dbraw/zinc/23/76/62/266237662.db2.gz SLKAHXMOECIRNF-QMMMGPOBSA-N -1 0 310.372 -0.008 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000496648581 266241612 /nfs/dbraw/zinc/24/16/12/266241612.db2.gz YRBWWFNQBRHINB-JTQLQIEISA-N -1 0 322.383 -0.005 20 0 DBADRM COC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C2COC2)C1 ZINC000496666437 266241656 /nfs/dbraw/zinc/24/16/56/266241656.db2.gz WEDJDGCBDATFQX-MRVPVSSYSA-N -1 0 306.340 -0.690 20 0 DBADRM COC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C2COC2)C1 ZINC000496666438 266241958 /nfs/dbraw/zinc/24/19/58/266241958.db2.gz WEDJDGCBDATFQX-QMMMGPOBSA-N -1 0 306.340 -0.690 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000496790518 266244954 /nfs/dbraw/zinc/24/49/54/266244954.db2.gz KTSREPUMWMRTTR-ZETCQYMHSA-N -1 0 324.355 -0.624 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000496900195 266249272 /nfs/dbraw/zinc/24/92/72/266249272.db2.gz FUCPYDGPCCYLGE-UHFFFAOYSA-N -1 0 304.328 -0.768 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)NC/C=C\C(=O)[O-])CC1 ZINC000496904909 266249916 /nfs/dbraw/zinc/24/99/16/266249916.db2.gz ADVIUBCMMIOZAC-ARJAWSKDSA-N -1 0 321.355 -0.764 20 0 DBADRM COC(=O)NCC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000497017842 266252402 /nfs/dbraw/zinc/25/24/02/266252402.db2.gz GQSJBNXYKDFQMM-PSASIEDQSA-N -1 0 315.326 -0.831 20 0 DBADRM Cc1c(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)cnn1C ZINC000514822880 266264760 /nfs/dbraw/zinc/26/47/60/266264760.db2.gz NBGCIHJUYROTIO-WPRPVWTQSA-N -1 0 303.340 -0.503 20 0 DBADRM Cc1c(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)cnn1C ZINC000514822878 266265137 /nfs/dbraw/zinc/26/51/37/266265137.db2.gz NBGCIHJUYROTIO-SCZZXKLOSA-N -1 0 303.340 -0.503 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000514861098 266266050 /nfs/dbraw/zinc/26/60/50/266266050.db2.gz PYJGAPMDDIMOCV-XWLWVQCSSA-N -1 0 307.368 -0.037 20 0 DBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2nnnn2-c2ccccc2)O1 ZINC000514865147 266266080 /nfs/dbraw/zinc/26/60/80/266266080.db2.gz QYAZJMFSEJGYDV-WDEREUQCSA-N -1 0 317.305 -0.089 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000514941851 266267802 /nfs/dbraw/zinc/26/78/02/266267802.db2.gz JAVRXACTGFARLR-JTQLQIEISA-N -1 0 306.384 -0.163 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-] ZINC000515103573 266268581 /nfs/dbraw/zinc/26/85/81/266268581.db2.gz XVWDWPPIWNBJRA-SECBINFHSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)NC[C@H](CC(=O)[O-])OC ZINC000515081878 266269053 /nfs/dbraw/zinc/26/90/53/266269053.db2.gz KYDPBIQLAXFNKC-QMMMGPOBSA-N -1 0 311.356 -0.405 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-] ZINC000515335358 266270128 /nfs/dbraw/zinc/27/01/28/266270128.db2.gz IFPRVTBHGIEQGJ-MRVPVSSYSA-N -1 0 303.340 -0.260 20 0 DBADRM COc1cc(OC)cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1 ZINC000515339887 266270755 /nfs/dbraw/zinc/27/07/55/266270755.db2.gz ZJQCJXLKDWZFSE-SNVBAGLBSA-N -1 0 305.308 -0.572 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000515385779 266272083 /nfs/dbraw/zinc/27/20/83/266272083.db2.gz BLAHIZCHBLMOTP-LBPRGKRZSA-N -1 0 308.338 -0.048 20 0 DBADRM COC[C@H](NC(=O)NCCCOC[C@@H]1CCCO1)C(=O)[O-] ZINC000515582245 266273033 /nfs/dbraw/zinc/27/30/33/266273033.db2.gz KUWJEQIPOKRQGA-QWRGUYRKSA-N -1 0 304.343 -0.029 20 0 DBADRM C[C@H](O)[C@@H]1CCN(c2cc(N3CCO[C@H](C(=O)[O-])C3)ncn2)C1 ZINC000515487547 266273587 /nfs/dbraw/zinc/27/35/87/266273587.db2.gz XBMBMVAJNWGZCV-TUAOUCFPSA-N -1 0 322.365 -0.027 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])cn1C ZINC000516058590 266276825 /nfs/dbraw/zinc/27/68/25/266276825.db2.gz IROHJPAMOINSNP-ZETCQYMHSA-N -1 0 307.303 -0.914 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])OC)cn1 ZINC000516071047 266276888 /nfs/dbraw/zinc/27/68/88/266276888.db2.gz BAPLHWNVAWRVDJ-QMMMGPOBSA-N -1 0 304.324 -0.142 20 0 DBADRM O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1n[nH]c(=O)[n-]1 ZINC000515937141 266276902 /nfs/dbraw/zinc/27/69/02/266276902.db2.gz NMAOWGLAIAWNKW-UHFFFAOYSA-N -1 0 322.325 -0.505 20 0 DBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000516136471 266277881 /nfs/dbraw/zinc/27/78/81/266277881.db2.gz JTNFODCEOKBYPV-QMMMGPOBSA-N -1 0 317.371 -0.459 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)CCS1(=O)=O ZINC000516174610 266278272 /nfs/dbraw/zinc/27/82/72/266278272.db2.gz GTZOZAFRXWXLIC-UTINFBMNSA-N -1 0 302.352 -0.322 20 0 DBADRM CCOC(=O)c1ccc(NC(=O)CN2CCNCC2=O)c(O)c1 ZINC000516183468 266278687 /nfs/dbraw/zinc/27/86/87/266278687.db2.gz UIYBQPIDGDVIJO-UHFFFAOYSA-N -1 0 321.333 -0.061 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000516290883 266279778 /nfs/dbraw/zinc/27/97/78/266279778.db2.gz ALENYEZDAYITBQ-SECBINFHSA-N -1 0 322.383 -0.594 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NCCCO[C@H]1CCOC1 ZINC000516801712 266284692 /nfs/dbraw/zinc/28/46/92/266284692.db2.gz OHUCCQWMMBONBO-NSHDSACASA-N -1 0 304.343 -0.075 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCCC(=O)[O-] ZINC000517137965 266289621 /nfs/dbraw/zinc/28/96/21/266289621.db2.gz QPNBFJLHNRDDPC-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM COC[C@H](NC(=O)NCCCOC1CCOCC1)C(=O)[O-] ZINC000518294762 266299896 /nfs/dbraw/zinc/29/98/96/266299896.db2.gz VOIHMPYDQGKNME-NSHDSACASA-N -1 0 304.343 -0.029 20 0 DBADRM COCCN(C(=O)C(=O)NCCCC(=O)[O-])[C@H]1CCOC1 ZINC000518185848 266300343 /nfs/dbraw/zinc/30/03/43/266300343.db2.gz SPNFFRYDLFORDU-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000518541915 266303791 /nfs/dbraw/zinc/30/37/91/266303791.db2.gz DEXBLXPFXLSTDG-BBBLOLIVSA-N -1 0 306.384 -0.165 20 0 DBADRM Cn1ncc2c1nc(N1CCc3[nH]nc(C(=O)[O-])c3C1)nc2N ZINC000518776824 266304694 /nfs/dbraw/zinc/30/46/94/266304694.db2.gz JXFPCQSERADVJV-UHFFFAOYSA-N -1 0 314.309 -0.071 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C(=O)NCCNS(C)(=O)=O)C1CC1 ZINC000519517352 266309652 /nfs/dbraw/zinc/30/96/52/266309652.db2.gz CZNKMLHSRUUEOA-VIFPVBQESA-N -1 0 307.372 -0.427 20 0 DBADRM CN(CCN1CCOC(C)(C)C1)C(=O)c1cnc([O-])n(C)c1=O ZINC000519623677 266310535 /nfs/dbraw/zinc/31/05/35/266310535.db2.gz AIBWVXVUBRUXQK-UHFFFAOYSA-N -1 0 324.381 -0.331 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@@H](CO)C(=O)[O-])CCCCC1 ZINC000519578025 266311261 /nfs/dbraw/zinc/31/12/61/266311261.db2.gz QMNWYSREASADQT-VIFPVBQESA-N -1 0 323.367 -0.525 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C[C@H]1CO ZINC000519614919 266311333 /nfs/dbraw/zinc/31/13/33/266311333.db2.gz ZLAVNFKQBZBCMF-USZNOCQGSA-N -1 0 312.366 -0.358 20 0 DBADRM COCC(=O)N(C)CC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000519649214 266313037 /nfs/dbraw/zinc/31/30/37/266313037.db2.gz KWKJWCQSVXHGME-VIFPVBQESA-N -1 0 311.342 -0.679 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)n[n-]1 ZINC000520337039 266318175 /nfs/dbraw/zinc/31/81/75/266318175.db2.gz FNHCGNSHOAQOOK-LURJTMIESA-N -1 0 313.339 -0.842 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1COC[C@H]1OC ZINC000520805117 266321282 /nfs/dbraw/zinc/32/12/82/266321282.db2.gz LHPAOPDWANWKQX-RNFRBKRXSA-N -1 0 322.364 -0.378 20 0 DBADRM COCC1(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)CC1 ZINC000521271819 266326328 /nfs/dbraw/zinc/32/63/28/266326328.db2.gz MMULJFUJKJAIEJ-ZJUUUORDSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC(=O)N1 ZINC000521609693 266328195 /nfs/dbraw/zinc/32/81/95/266328195.db2.gz CRCKDAFVTVUSSW-HFBDOXOYSA-N -1 0 323.349 -0.953 20 0 DBADRM C[C@@H](CN1CCN(c2ccccn2)CC1)N=c1nn[n-]n1C ZINC000522759782 266336246 /nfs/dbraw/zinc/33/62/46/266336246.db2.gz VZGVRUQYOWMJNL-LBPRGKRZSA-N -1 0 302.386 -0.350 20 0 DBADRM Cn1[n-]nnc1=NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000524303844 266342154 /nfs/dbraw/zinc/34/21/54/266342154.db2.gz UBTIJQWUTLFKLF-UHFFFAOYSA-N -1 0 321.429 -0.232 20 0 DBADRM COC(=O)Cn1cc(CNC(=O)c2cccc3n[nH]nc32)nn1 ZINC000527111339 266352979 /nfs/dbraw/zinc/35/29/79/266352979.db2.gz NNXFESKJUTWUJV-UHFFFAOYSA-N -1 0 315.293 -0.348 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000527484522 266358181 /nfs/dbraw/zinc/35/81/81/266358181.db2.gz QWRWRWZYIGQEMO-NXEZZACHSA-N -1 0 322.383 -0.231 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)NCC3COC3)cc-2c(=O)[n-]1 ZINC000528566087 266375319 /nfs/dbraw/zinc/37/53/19/266375319.db2.gz YWHWLYBNDRPEOB-UHFFFAOYSA-N -1 0 312.307 -0.639 20 0 DBADRM COCCCn1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)cn1 ZINC000528929888 266382721 /nfs/dbraw/zinc/38/27/21/266382721.db2.gz IOWADWJRAMXTSO-UHFFFAOYSA-N -1 0 316.383 -0.010 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)CO1 ZINC000529108416 266383401 /nfs/dbraw/zinc/38/34/01/266383401.db2.gz IEDZAHVOHDQDIP-QMMMGPOBSA-N -1 0 315.351 -0.259 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)CCn2ccnn2)CO1 ZINC000529114231 266383467 /nfs/dbraw/zinc/38/34/67/266383467.db2.gz QFXZBEDSCRMJSQ-VIFPVBQESA-N -1 0 302.356 -0.318 20 0 DBADRM Cn1ncc(CCC(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)n1 ZINC000529102883 266383589 /nfs/dbraw/zinc/38/35/89/266383589.db2.gz GRJVIROIHNBJTF-JTQLQIEISA-N -1 0 316.383 -0.239 20 0 DBADRM C[C@@H]1CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)C1 ZINC000529104928 266383620 /nfs/dbraw/zinc/38/36/20/266383620.db2.gz NREJIHAVDHDVEG-GUBZILKMSA-N -1 0 318.395 -0.085 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)CO1 ZINC000529107034 266383889 /nfs/dbraw/zinc/38/38/89/266383889.db2.gz JBTPGDHAQHXZHX-DTWKUNHWSA-N -1 0 304.368 -0.474 20 0 DBADRM CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000529106707 266384236 /nfs/dbraw/zinc/38/42/36/266384236.db2.gz LJYLFJSPQQJFKD-NXEZZACHSA-N -1 0 306.384 -0.670 20 0 DBADRM CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000529106708 266384253 /nfs/dbraw/zinc/38/42/53/266384253.db2.gz LJYLFJSPQQJFKD-UWVGGRQHSA-N -1 0 306.384 -0.670 20 0 DBADRM CC1(c2nc(=NC(=O)c3nc4n(n3)CCCN4)s[n-]2)CC1 ZINC000529697365 266393694 /nfs/dbraw/zinc/39/36/94/266393694.db2.gz NPRZDLNGNUWCGC-UHFFFAOYSA-N -1 0 305.367 -0.072 20 0 DBADRM Cn1[n-]c(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1=O ZINC000529716918 266394824 /nfs/dbraw/zinc/39/48/24/266394824.db2.gz JHTOWIIEYLHVFS-UHFFFAOYSA-N -1 0 314.367 -0.624 20 0 DBADRM CCn1nncc1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000530149655 266405252 /nfs/dbraw/zinc/40/52/52/266405252.db2.gz QHAOMYVKVBMLDL-UHFFFAOYSA-N -1 0 300.300 -0.802 20 0 DBADRM Cc1cc(CS(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)on1 ZINC000530151156 266405634 /nfs/dbraw/zinc/40/56/34/266405634.db2.gz POCJOYLSHPFOGV-SCZZXKLOSA-N -1 0 304.324 -0.013 20 0 DBADRM CCn1cc(S(=O)(=O)N2CC[C@](OC)(C(=O)[O-])C2)cn1 ZINC000530151320 266405665 /nfs/dbraw/zinc/40/56/65/266405665.db2.gz SKRFNJAPTHDFDF-LLVKDONJSA-N -1 0 303.340 -0.233 20 0 DBADRM CO[C@H]1CC[C@H](NS(=O)(=O)c2c(C(=O)[O-])cnn2C)C1 ZINC000530148503 266405768 /nfs/dbraw/zinc/40/57/68/266405768.db2.gz GYIJZUYRBAXNQQ-YUMQZZPRSA-N -1 0 303.340 -0.036 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)CCO1 ZINC000530155904 266406077 /nfs/dbraw/zinc/40/60/77/266406077.db2.gz ZMLTVTPMLGECQI-MRVPVSSYSA-N -1 0 319.339 -0.846 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000530149447 266406174 /nfs/dbraw/zinc/40/61/74/266406174.db2.gz HZUCVOVSOCMLNA-JFGNBEQYSA-N -1 0 322.383 -0.484 20 0 DBADRM COc1cc(NC(=O)CNC(=O)c2n[nH]c(=O)[n-]2)cc(OC)c1 ZINC000530991556 266417997 /nfs/dbraw/zinc/41/79/97/266417997.db2.gz YONAOJMQAKWFFL-UHFFFAOYSA-N -1 0 321.293 -0.104 20 0 DBADRM Cc1ncc2c(n1)CCN(C(=O)c1cnc([O-])n(C)c1=O)C2 ZINC000531199323 266423503 /nfs/dbraw/zinc/42/35/03/266423503.db2.gz JTVGIJNNBXCGLF-UHFFFAOYSA-N -1 0 301.306 -0.217 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000532003403 269567878 /nfs/dbraw/zinc/56/78/78/269567878.db2.gz XNTWJVCORJXEMT-MNOVXSKESA-N -1 0 319.379 -0.097 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCCN1C(C)=O)[C@H](C)C(=O)[O-] ZINC000262292736 278105988 /nfs/dbraw/zinc/10/59/88/278105988.db2.gz YVTNDPUYESGVNI-SKDRFNHKSA-N -1 0 313.354 -0.565 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCN(C(C)=O)C1)[C@@H](C)C(=O)[O-] ZINC000357767071 278107034 /nfs/dbraw/zinc/10/70/34/278107034.db2.gz WVERKNQNUSBGMY-CABZTGNLSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1c[nH]nc1C ZINC000275150697 278113035 /nfs/dbraw/zinc/11/30/35/278113035.db2.gz RPGHRGQOPWVAOG-QMMMGPOBSA-N -1 0 318.355 -0.682 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)[C@H]1CCCOC1 ZINC000262466348 278113104 /nfs/dbraw/zinc/11/31/04/278113104.db2.gz TVFNXNLUBCKFCA-KOLCDFICSA-N -1 0 322.383 -0.594 20 0 DBADRM CC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(N)=O ZINC000357697049 288057094 /nfs/dbraw/zinc/05/70/94/288057094.db2.gz HQXHPWKQFHOGIR-YFKPBYRVSA-N -1 0 307.353 -0.528 20 0 DBADRM CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000275522482 279010672 /nfs/dbraw/zinc/01/06/72/279010672.db2.gz KFXCEPVXPCEHKX-SNVBAGLBSA-N -1 0 308.338 -0.527 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cnccn2)C1=O ZINC000358722699 279799972 /nfs/dbraw/zinc/79/99/72/279799972.db2.gz YFTMLMJZSPCILX-KOLCDFICSA-N -1 0 306.322 -0.084 20 0 DBADRM CC(C)[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)N1CCCS1(=O)=O ZINC000262096281 280155679 /nfs/dbraw/zinc/15/56/79/280155679.db2.gz HANUBHZJBULSKD-GHMZBOCLSA-N -1 0 318.395 -0.020 20 0 DBADRM CC1(C)SC[C@H]1NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000333627723 281432216 /nfs/dbraw/zinc/43/22/16/281432216.db2.gz VHDKSDYREFIFPB-JGVFFNPUSA-N -1 0 322.408 -0.226 20 0 DBADRM CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCS(C)(=O)=O ZINC000376591845 288366456 /nfs/dbraw/zinc/36/64/56/288366456.db2.gz GADWVQZSCVSKSD-IUCAKERBSA-N -1 0 313.397 -0.454 20 0 DBADRM CN(C(=O)c1ccccc1[N-]S(C)(=O)=O)[C@H]1COC[C@@H]1O ZINC000342397871 288924624 /nfs/dbraw/zinc/92/46/24/288924624.db2.gz HFHKXNIWAMFSBW-RYUDHWBXSA-N -1 0 314.363 -0.110 20 0 DBADRM CN(C)C(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000160773511 288984564 /nfs/dbraw/zinc/98/45/64/288984564.db2.gz JWLNWKRKWRJCEK-UHFFFAOYSA-N -1 0 321.380 -0.004 20 0 DBADRM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000267602288 289002014 /nfs/dbraw/zinc/00/20/14/289002014.db2.gz NBFMHXSKUSGDGQ-NXEZZACHSA-N -1 0 322.365 -0.137 20 0 DBADRM CN(CC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)S(C)(=O)=O ZINC000262424111 289456517 /nfs/dbraw/zinc/45/65/17/289456517.db2.gz LIYHYOZZYYNXHZ-VIFPVBQESA-N -1 0 304.368 -0.409 20 0 DBADRM CN1C(=O)C[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])[C@@H]1c1cccnc1 ZINC000262355734 289836076 /nfs/dbraw/zinc/83/60/76/289836076.db2.gz FVXARYQRABRSFA-WBIUFABUSA-N -1 0 321.333 -0.447 20 0 DBADRM CN1CCN(S(=O)(=O)[N-]CC(F)(F)F)C(C)(C)C1=O ZINC000195352560 290051099 /nfs/dbraw/zinc/05/10/99/290051099.db2.gz YJKTXCIMMYANFU-UHFFFAOYSA-N -1 0 303.306 -0.064 20 0 DBADRM CN1CCO[C@@H]2CCN(S(=O)(=O)[N-]CC(F)(F)F)C[C@@H]21 ZINC000341041472 290087166 /nfs/dbraw/zinc/08/71/66/290087166.db2.gz MXNHLSQQBUXDLQ-DTWKUNHWSA-N -1 0 317.333 -0.212 20 0 DBADRM C[C@@H](O)CN1CCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)CC1 ZINC000444387559 533693351 /nfs/dbraw/zinc/69/33/51/533693351.db2.gz WXOYTOURZGJPHG-SNVBAGLBSA-N -1 0 319.365 -0.188 20 0 DBADRM COC[C@H](C)CS(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000263499122 293008119 /nfs/dbraw/zinc/00/81/19/293008119.db2.gz SFIJZIYUHZTTDH-VHSXEESVSA-N -1 0 324.399 -0.490 20 0 DBADRM COCc1nc(=N[C@H]2CCN(CCC(=O)OC)C2=O)s[n-]1 ZINC000346699336 293328072 /nfs/dbraw/zinc/32/80/72/293328072.db2.gz NLTHGBMJPHUIRB-QMMMGPOBSA-N -1 0 314.367 -0.318 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)C[C@@H](C)O1 ZINC000085855760 297059295 /nfs/dbraw/zinc/05/92/95/297059295.db2.gz AVGVREZRDXJGOS-FXPVBKGRSA-N -1 0 308.356 -0.826 20 0 DBADRM CO[C@H](CNC(=O)[C@H]1CSCN1C(=O)C1CCC1)C(=O)[O-] ZINC000427772612 294451984 /nfs/dbraw/zinc/45/19/84/294451984.db2.gz VZCRFQVGHDZYOQ-NXEZZACHSA-N -1 0 316.379 -0.096 20 0 DBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000262921925 294594719 /nfs/dbraw/zinc/59/47/19/294594719.db2.gz IVBITOQGBXGQKL-IUCAKERBSA-N -1 0 307.368 -0.100 20 0 DBADRM C[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H](C(=O)[O-])C1 ZINC000263130812 299925161 /nfs/dbraw/zinc/92/51/61/299925161.db2.gz VZJSLCNLQHZJDJ-UWVGGRQHSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCn3ccnc3C2)C1 ZINC000332639438 297213389 /nfs/dbraw/zinc/21/33/89/297213389.db2.gz RFSHLUXGLFIWDX-GHMZBOCLSA-N -1 0 320.349 -0.206 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])C1 ZINC000040396310 297361497 /nfs/dbraw/zinc/36/14/97/297361497.db2.gz LAGKXRQONZMIMM-YTWAJWBKSA-N -1 0 306.384 -0.271 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Cn1nc2ccccn2c1=O ZINC000262312599 297877724 /nfs/dbraw/zinc/87/77/24/297877724.db2.gz PYQLMSACUVZELU-AWEZNQCLSA-N -1 0 304.306 -0.038 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCn3cncc3C2)C1 ZINC000332581113 300405364 /nfs/dbraw/zinc/40/53/64/300405364.db2.gz BONVHWNICDIQIX-WDEREUQCSA-N -1 0 320.349 -0.206 20 0 DBADRM C[C@H]1OCCN(S(=O)(=O)c2cn(C)c(Cl)n2)[C@@H]1C(=O)[O-] ZINC000278546979 300602787 /nfs/dbraw/zinc/60/27/87/300602787.db2.gz ADVKESZOSISALZ-SVRRBLITSA-N -1 0 323.758 -0.064 20 0 DBADRM Cc1cc(C(=O)N[C@@H](C)C(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000262690178 301134850 /nfs/dbraw/zinc/13/48/50/301134850.db2.gz FZQLNNPTNMKXSA-ZETCQYMHSA-N -1 0 320.305 -0.856 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000285116044 302395412 /nfs/dbraw/zinc/39/54/12/302395412.db2.gz MYDXKUURFYLKMX-BDAKNGLRSA-N -1 0 303.340 -0.409 20 0 DBADRM Cc1nc(=NC(=O)C(=O)N2CCCCC[C@H]2CCO)[n-]n1C ZINC000340438046 302541310 /nfs/dbraw/zinc/54/13/10/302541310.db2.gz BQKFPZDDIHMDAJ-NSHDSACASA-N -1 0 309.370 -0.362 20 0 DBADRM Cn1c(=O)[nH]c2ccc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)cc21 ZINC000263006361 302891994 /nfs/dbraw/zinc/89/19/94/302891994.db2.gz VYQKDWZFELDJRF-AWEZNQCLSA-N -1 0 305.290 -0.160 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000227866749 303049832 /nfs/dbraw/zinc/04/98/32/303049832.db2.gz HDJSTLSWOIBHFZ-SSDOTTSWSA-N -1 0 323.758 -0.062 20 0 DBADRM NC(=O)CSCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262286727 303254915 /nfs/dbraw/zinc/25/49/15/303254915.db2.gz OJQIVULHAHBCAB-PHDIDXHHSA-N -1 0 314.285 -0.074 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)O1 ZINC000408116085 303304063 /nfs/dbraw/zinc/30/40/63/303304063.db2.gz UDUIRBLPTOHYQJ-LPEHRKFASA-N -1 0 320.367 -0.966 20 0 DBADRM NC(=O)c1csc(CN2Cc3n[nH]c(=O)n3C[C@H]2C(=O)[O-])c1 ZINC000263027685 303351891 /nfs/dbraw/zinc/35/18/91/303351891.db2.gz GJAYCEKTLSPRPX-QMMMGPOBSA-N -1 0 323.334 -0.799 20 0 DBADRM NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cncnc1 ZINC000362217490 303444975 /nfs/dbraw/zinc/44/49/75/303444975.db2.gz RVAJJLXHQZGOEK-UHFFFAOYSA-N -1 0 314.348 -0.075 20 0 DBADRM Nc1ncnc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1Cl ZINC000263032865 303506185 /nfs/dbraw/zinc/50/61/85/303506185.db2.gz HMYZSCZJCYIGIR-YFKPBYRVSA-N -1 0 306.731 -0.600 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCCOCC(=O)[O-])c[nH]1 ZINC000570568399 332775129 /nfs/dbraw/zinc/77/51/29/332775129.db2.gz HWFIOTDAXOAJMU-UHFFFAOYSA-N -1 0 306.296 -0.819 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCc2ncccn2)C[C@@H]1C(=O)[O-] ZINC000570867984 332831680 /nfs/dbraw/zinc/83/16/80/332831680.db2.gz NPFUJUGOLSENON-UWVGGRQHSA-N -1 0 306.322 -0.338 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)C2=O)cn1 ZINC000574916449 332850019 /nfs/dbraw/zinc/85/00/19/332850019.db2.gz QHCOPAWESOIWNI-OUAUKWLOSA-N -1 0 320.349 -0.002 20 0 DBADRM O=C(c1ccc2nnnn2c1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000584055909 331655226 /nfs/dbraw/zinc/65/52/26/331655226.db2.gz VQKABFCCEOMNSJ-UHFFFAOYSA-N -1 0 314.309 -0.032 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000584056360 331655708 /nfs/dbraw/zinc/65/57/08/331655708.db2.gz NKZRFOXUNVRHND-VIFPVBQESA-N -1 0 310.372 -0.831 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C1 ZINC000569100473 331824313 /nfs/dbraw/zinc/82/43/13/331824313.db2.gz JCGLNLIPDKMUMI-UMNHJUIQSA-N -1 0 307.368 -0.083 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cn1 ZINC000566063887 331945983 /nfs/dbraw/zinc/94/59/83/331945983.db2.gz PDDSDQNHVAIKHN-SNVBAGLBSA-N -1 0 313.339 -0.259 20 0 DBADRM C[C@@H]1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC000566181195 332023847 /nfs/dbraw/zinc/02/38/47/332023847.db2.gz HXOCOLBSDUECPE-OPRDCNLKSA-N -1 0 304.368 -0.074 20 0 DBADRM O=C([O-])c1cn(C2CCN(c3nccn4nnnc34)CC2)nn1 ZINC000569367097 332064738 /nfs/dbraw/zinc/06/47/38/332064738.db2.gz YZSJMBNOHJBGOZ-UHFFFAOYSA-N -1 0 315.297 -0.350 20 0 DBADRM C[C@@H]1CN(CCO)CCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000569471250 332098839 /nfs/dbraw/zinc/09/88/39/332098839.db2.gz IVFNHRICRRUANG-MRVPVSSYSA-N -1 0 305.322 -0.619 20 0 DBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1cnn2c1OCCC2 ZINC000569481458 332101246 /nfs/dbraw/zinc/10/12/46/332101246.db2.gz HOWNTFRQMJVBJC-MRVPVSSYSA-N -1 0 317.323 -0.860 20 0 DBADRM Cn1[nH]c(Cn2c3ccccc3nc2S(C)(=O)=O)nc1=O ZINC000573490803 332103667 /nfs/dbraw/zinc/10/36/67/332103667.db2.gz ZSFXEIVQDOMNSB-UHFFFAOYSA-N -1 0 307.335 -0.090 20 0 DBADRM COCCN(CCOC)C(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000328473670 332131243 /nfs/dbraw/zinc/13/12/43/332131243.db2.gz NWVVOPWPQZPHIP-MNOVXSKESA-N -1 0 304.343 -0.125 20 0 DBADRM COC(C)(C)CS(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000569609480 332200730 /nfs/dbraw/zinc/20/07/30/332200730.db2.gz PLRAXAAGBCXMAV-UHFFFAOYSA-N -1 0 306.344 -0.679 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@@H](F)C2)cn1C ZINC000584298475 332227227 /nfs/dbraw/zinc/22/72/27/332227227.db2.gz ORWRLYSFQNCLRK-SNVBAGLBSA-N -1 0 318.374 -0.033 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H](C(=O)[O-])C(C)C)C1 ZINC000582125373 332342427 /nfs/dbraw/zinc/34/24/27/332342427.db2.gz PUNYZYQZBRTOAS-VHSXEESVSA-N -1 0 306.384 -0.117 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC000582126706 332369743 /nfs/dbraw/zinc/36/97/43/332369743.db2.gz PNKOROPYEQHDMK-SECBINFHSA-N -1 0 313.335 -0.457 20 0 DBADRM COC[C@@](C)([N-]S(=O)(=O)C[C@@H](OC)C1CC1)C(=O)OC ZINC000583378620 332373643 /nfs/dbraw/zinc/37/36/43/332373643.db2.gz BJHRAYZACNEFRG-ZYHUDNBSSA-N -1 0 309.384 -0.091 20 0 DBADRM O=C([O-])[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)NC1CC1 ZINC000159545133 332656707 /nfs/dbraw/zinc/65/67/07/332656707.db2.gz YWBCSTIULASIST-LLVKDONJSA-N -1 0 300.336 -0.026 20 0 DBADRM COC(C)(C)CS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000569972509 332698051 /nfs/dbraw/zinc/69/80/51/332698051.db2.gz ZCRDHRCXRBXEPK-VIFPVBQESA-N -1 0 305.356 -0.110 20 0 DBADRM COC(=O)c1csc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])c1 ZINC000570107095 332713002 /nfs/dbraw/zinc/71/30/02/332713002.db2.gz DPAYWTAGJOBMOV-SSDOTTSWSA-N -1 0 323.348 -0.087 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000570279932 332734739 /nfs/dbraw/zinc/73/47/39/332734739.db2.gz ROMBQJMSIJQOOO-MRVPVSSYSA-N -1 0 317.367 -0.180 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCO1 ZINC000567797199 333252185 /nfs/dbraw/zinc/25/21/85/333252185.db2.gz OCMRMMZZGHQMPT-UWVGGRQHSA-N -1 0 308.356 -0.873 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1)C1CC1 ZINC000582120416 333298864 /nfs/dbraw/zinc/29/88/64/333298864.db2.gz VMRACZGTIOYZLZ-CMPLNLGQSA-N -1 0 307.368 -0.035 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000221697068 333363398 /nfs/dbraw/zinc/36/33/98/333363398.db2.gz QHQBRNYBUQCUSV-GMTAPVOTSA-N -1 0 306.384 -0.006 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CF)C2)C[C@H]1C(=O)[O-] ZINC000567875323 333395865 /nfs/dbraw/zinc/39/58/65/333395865.db2.gz BYYQORYIVSLHDA-OUAUKWLOSA-N -1 0 316.329 -0.248 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCCCC(=O)[O-])O1 ZINC000571400297 333782497 /nfs/dbraw/zinc/78/24/97/333782497.db2.gz LQURELFSWFSPAW-UWVGGRQHSA-N -1 0 301.343 -0.214 20 0 DBADRM O=C([O-])C[C@H](NS(=O)(=O)N1CCOCC1)c1ccncc1 ZINC000582192093 335751913 /nfs/dbraw/zinc/75/19/13/335751913.db2.gz YDZHUPDQWIWDEY-NSHDSACASA-N -1 0 315.351 -0.236 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)C(=O)NCCCC(=O)[O-] ZINC000584351601 336066781 /nfs/dbraw/zinc/06/67/81/336066781.db2.gz USAJLHPSQANFKL-UHFFFAOYSA-N -1 0 301.343 -0.754 20 0 DBADRM O=C([O-])[C@@H]1CN(c2ccc3nccnc3n2)CCS1(=O)=O ZINC000567261698 336398657 /nfs/dbraw/zinc/39/86/57/336398657.db2.gz GCUJJQOZICTWCO-VIFPVBQESA-N -1 0 308.319 -0.287 20 0 DBADRM O=C([O-])Cn1cc(CNS(=O)(=O)CCC2CCC2)nn1 ZINC000394283302 337108311 /nfs/dbraw/zinc/10/83/11/337108311.db2.gz HMKHKCJIDQLNIY-UHFFFAOYSA-N -1 0 302.356 -0.028 20 0 DBADRM CNC(=O)CCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000582606676 337112938 /nfs/dbraw/zinc/11/29/38/337112938.db2.gz URXHREXMTIFPPE-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)NCCCO[C@@H]2CCOC2)CCOC1 ZINC000582643869 337114110 /nfs/dbraw/zinc/11/41/10/337114110.db2.gz DEJZOVPKVPHPIA-ZWNOBZJWSA-N -1 0 302.327 -0.275 20 0 DBADRM COc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000582664418 337117757 /nfs/dbraw/zinc/11/77/57/337117757.db2.gz ALYDTXWOPKCFKU-VIFPVBQESA-N -1 0 302.308 -0.436 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])ccc1C ZINC000582676134 337119915 /nfs/dbraw/zinc/11/99/15/337119915.db2.gz DGOYIAJUYDHJIK-SNVBAGLBSA-N -1 0 317.319 -0.495 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC000582728234 337126259 /nfs/dbraw/zinc/12/62/59/337126259.db2.gz YLMNFBSJRPUCOL-VIFPVBQESA-N -1 0 314.367 -0.060 20 0 DBADRM COCC1(S(=O)(=O)N[C@H](Cn2cc(C)cn2)C(=O)[O-])CC1 ZINC000582730895 337126710 /nfs/dbraw/zinc/12/67/10/337126710.db2.gz NZPZMOXUSZFOHH-SNVBAGLBSA-N -1 0 317.367 -0.257 20 0 DBADRM CCOC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-] ZINC000582879053 337214104 /nfs/dbraw/zinc/21/41/04/337214104.db2.gz XVAYPOBVUGTGEU-VIFPVBQESA-N -1 0 323.367 -0.261 20 0 DBADRM CO[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C[C@H]1O ZINC000395369890 337217037 /nfs/dbraw/zinc/21/70/37/337217037.db2.gz UAXLXICOHDFHOX-GHMZBOCLSA-N -1 0 316.335 -0.772 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-]c1ccn(CCC(N)=O)n1)C1CC1 ZINC000583752892 337329681 /nfs/dbraw/zinc/32/96/81/337329681.db2.gz GZCUSAZNYQKFOG-JTQLQIEISA-N -1 0 316.383 -0.075 20 0 DBADRM C[C@H]1CCCN(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C1 ZINC000020549487 337331383 /nfs/dbraw/zinc/33/13/83/337331383.db2.gz VHERRUBCQCWVNR-IUCAKERBSA-N -1 0 307.372 -0.729 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000583789871 337333376 /nfs/dbraw/zinc/33/33/76/337333376.db2.gz UMQSLJSSCCZYOD-SCZZXKLOSA-N -1 0 303.340 -0.234 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000021507234 337334563 /nfs/dbraw/zinc/33/45/63/337334563.db2.gz IMZLAPHIUVONLL-UHFFFAOYSA-N -1 0 314.367 -0.207 20 0 DBADRM C[C@@H]1CCCCN1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000021813860 337338336 /nfs/dbraw/zinc/33/83/36/337338336.db2.gz AEXMQXAHAMEUCZ-BDAKNGLRSA-N -1 0 307.372 -0.586 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(F)cc1F ZINC000035085341 337339356 /nfs/dbraw/zinc/33/93/56/337339356.db2.gz KJTYKXWGKNGVRG-UHFFFAOYSA-N -1 0 308.262 -0.556 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(F)cc(F)c1 ZINC000035085346 337339363 /nfs/dbraw/zinc/33/93/63/337339363.db2.gz MBAJJRKPDLMQPU-UHFFFAOYSA-N -1 0 308.262 -0.556 20 0 DBADRM COc1ccccc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000035085385 337339390 /nfs/dbraw/zinc/33/93/90/337339390.db2.gz VWJAFVRDLHZRMF-UHFFFAOYSA-N -1 0 302.308 -0.826 20 0 DBADRM Cc1c(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])cnn1C ZINC000583848540 337341709 /nfs/dbraw/zinc/34/17/09/337341709.db2.gz ICEQVAUXKWPYBX-ZJUUUORDSA-N -1 0 317.367 -0.113 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NCC[C@H](O)C(=O)[O-])CCC1 ZINC000584503595 337351121 /nfs/dbraw/zinc/35/11/21/337351121.db2.gz URKZXABLAPMHPR-QMMMGPOBSA-N -1 0 309.340 -0.915 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000036161792 337351936 /nfs/dbraw/zinc/35/19/36/337351936.db2.gz VXXZFYWPSCTTMS-UHFFFAOYSA-N -1 0 319.360 -0.196 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000036967872 337361339 /nfs/dbraw/zinc/36/13/39/337361339.db2.gz YWIZOMBNZSAEJF-MRVPVSSYSA-N -1 0 308.262 -0.428 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C ZINC000036983854 337361737 /nfs/dbraw/zinc/36/17/37/337361737.db2.gz UKZFMLFRLJGLLG-UWVGGRQHSA-N -1 0 322.383 -0.043 20 0 DBADRM COc1ccc(OC)c(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000037406715 337363384 /nfs/dbraw/zinc/36/33/84/337363384.db2.gz OGFOZFPAWWBULH-MRVPVSSYSA-N -1 0 305.308 -0.572 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-] ZINC000037417908 337363591 /nfs/dbraw/zinc/36/35/91/337363591.db2.gz AFUQDFJGHJYTLU-SKDRFNHKSA-N -1 0 314.363 -0.287 20 0 DBADRM C[C@H]1C[C@H](C)CN(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C1 ZINC000037462960 337363917 /nfs/dbraw/zinc/36/39/17/337363917.db2.gz SFECHTCEIJOSSC-GUBZILKMSA-N -1 0 321.399 -0.483 20 0 DBADRM Cc1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1N(C)C ZINC000584665198 337379812 /nfs/dbraw/zinc/37/98/12/337379812.db2.gz CYERJMCGYCDENP-LLVKDONJSA-N -1 0 302.352 -0.215 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)ccc1C(=O)[O-] ZINC000571788377 337576874 /nfs/dbraw/zinc/57/68/74/337576874.db2.gz UEXYPVXEJHZULH-SNVBAGLBSA-N -1 0 319.317 -0.021 20 0 DBADRM COC[C@H](NC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000571979940 337585017 /nfs/dbraw/zinc/58/50/17/337585017.db2.gz SYFOUXDUDQHHMB-AEJSXWLSSA-N -1 0 322.383 -0.259 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000572032316 337587551 /nfs/dbraw/zinc/58/75/51/337587551.db2.gz IMPRQTCGVCPJHU-UHFFFAOYSA-N -1 0 307.372 -0.472 20 0 DBADRM CCC1(CO)CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC000572038773 337587817 /nfs/dbraw/zinc/58/78/17/337587817.db2.gz JAAHWYVDDZTGQS-UHFFFAOYSA-N -1 0 300.355 -0.022 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)O1 ZINC000572242315 337599911 /nfs/dbraw/zinc/59/99/11/337599911.db2.gz CMVOLHORDNVRFL-XWLWVQCSSA-N -1 0 314.338 -0.629 20 0 DBADRM O=C(CNC(=O)c1ccco1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000546602743 341174269 /nfs/dbraw/zinc/17/42/69/341174269.db2.gz ZVMLKYNWNXOKJV-SECBINFHSA-N -1 0 304.310 -0.071 20 0 DBADRM N#CCCCCS(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000547574206 341222412 /nfs/dbraw/zinc/22/24/12/341222412.db2.gz CRSYLJYOSOTGLZ-JTQLQIEISA-N -1 0 317.367 -0.467 20 0 DBADRM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)NCC(=O)[O-])C2=O ZINC000566063385 341546652 /nfs/dbraw/zinc/54/66/52/341546652.db2.gz RRZRHYONJHMUQW-ICCCGROCSA-N -1 0 311.338 -0.066 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1C ZINC000566096105 341547487 /nfs/dbraw/zinc/54/74/87/341547487.db2.gz KPJSJMKYSULGFM-QMMMGPOBSA-N -1 0 301.324 -0.650 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-] ZINC000566173020 341549828 /nfs/dbraw/zinc/54/98/28/341549828.db2.gz IICAHADWFBDZRN-SECBINFHSA-N -1 0 316.401 -0.902 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000566175540 341549995 /nfs/dbraw/zinc/54/99/95/341549995.db2.gz BEGMDFBYBACGKP-MRVPVSSYSA-N -1 0 323.348 -0.167 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])o1 ZINC000566311425 341553738 /nfs/dbraw/zinc/55/37/38/341553738.db2.gz CQTMKAANQYKTLG-CVJBHZAOSA-N -1 0 307.349 -0.206 20 0 DBADRM C[C@@H]1C[C@@H](S(=O)(=O)NCCC(=O)NCC(=O)[O-])CCO1 ZINC000567239591 341590676 /nfs/dbraw/zinc/59/06/76/341590676.db2.gz VYTVHOUGOSXROZ-BDAKNGLRSA-N -1 0 308.356 -0.936 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000567384442 341600475 /nfs/dbraw/zinc/60/04/75/341600475.db2.gz HFWFGFFUAFFRIU-ZJUUUORDSA-N -1 0 318.395 -0.130 20 0 DBADRM COC(=O)CCCS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000311488733 341616924 /nfs/dbraw/zinc/61/69/24/341616924.db2.gz JFEPSRTUEMQGAX-ZCFIWIBFSA-N -1 0 303.283 -0.033 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1cnn2c1OCCC2)C(=O)[O-] ZINC000567811193 341634512 /nfs/dbraw/zinc/63/45/12/341634512.db2.gz WSOPTCPYLDLNOJ-LLVKDONJSA-N -1 0 319.339 -0.566 20 0 DBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000567860272 341637370 /nfs/dbraw/zinc/63/73/70/341637370.db2.gz FROHFMGPGDCCSP-YIZRAAEISA-N -1 0 304.368 -0.377 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000567887199 341638806 /nfs/dbraw/zinc/63/88/06/341638806.db2.gz FBMLAMVIPUYBGZ-ZDUSSCGKSA-N -1 0 300.311 -0.621 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C2(C(=O)[O-])CCOCC2)CC1=O ZINC000567970096 341643321 /nfs/dbraw/zinc/64/33/21/341643321.db2.gz HCWKCBJYWUUMPC-VWYCJHECSA-N -1 0 310.350 -0.007 20 0 DBADRM CC(=O)NCCN(C(=O)Cc1ccc(N)cn1)[C@@H](C)C(=O)[O-] ZINC000568097301 341651112 /nfs/dbraw/zinc/65/11/12/341651112.db2.gz YEVQDFPVWIATQC-VIFPVBQESA-N -1 0 308.338 -0.356 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)[C@@H]1CCOC1)C(=O)[O-] ZINC000568470888 341672331 /nfs/dbraw/zinc/67/23/31/341672331.db2.gz QBRNLPIKKRJXNN-BDAKNGLRSA-N -1 0 309.340 -0.509 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000568617924 341676592 /nfs/dbraw/zinc/67/65/92/341676592.db2.gz AGMGEDSTITWVMI-QWRGUYRKSA-N -1 0 310.350 -0.053 20 0 DBADRM CNS(=O)(=O)c1ccc(N2CCO[C@H](C(=O)[O-])C2)nc1 ZINC000568637503 341677158 /nfs/dbraw/zinc/67/71/58/341677158.db2.gz QAGDSKNOFUXZAO-VIFPVBQESA-N -1 0 301.324 -0.721 20 0 DBADRM CCOC[C@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-] ZINC000568989645 341687437 /nfs/dbraw/zinc/68/74/37/341687437.db2.gz WXLNNBCUHJBENY-VIFPVBQESA-N -1 0 304.324 -0.142 20 0 DBADRM CCCCOCCNC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000569106428 341690814 /nfs/dbraw/zinc/69/08/14/341690814.db2.gz HJNVPOVDUDYNOE-UHFFFAOYSA-N -1 0 315.370 -0.852 20 0 DBADRM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1cc(F)c([O-])c(F)c1 ZINC000574099713 341748613 /nfs/dbraw/zinc/74/86/13/341748613.db2.gz XWMJTEHYGYIPCB-RKDXNWHRSA-N -1 0 307.274 -0.442 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000576226628 341834850 /nfs/dbraw/zinc/83/48/50/341834850.db2.gz OCQUVSANGAFZEW-ZJUUUORDSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C(=O)[O-] ZINC000576466561 341847776 /nfs/dbraw/zinc/84/77/76/341847776.db2.gz STWRKVSNAWFXLS-NXEZZACHSA-N -1 0 306.384 -0.163 20 0 DBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC000576647942 341856872 /nfs/dbraw/zinc/85/68/72/341856872.db2.gz JSABCIJYKINSLE-AEJSXWLSSA-N -1 0 305.352 -0.346 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000576809098 341864086 /nfs/dbraw/zinc/86/40/86/341864086.db2.gz LVSDPNKFXXXKDL-UHFFFAOYSA-N -1 0 308.356 -0.740 20 0 DBADRM CC(C)(NC(=O)NCC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000576971702 341872871 /nfs/dbraw/zinc/87/28/71/341872871.db2.gz VIYMLECDKSRMJD-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM CCC[C@@H](O)[C@@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000577697731 341929857 /nfs/dbraw/zinc/92/98/57/341929857.db2.gz GTFHLUUJODMGNS-RKDXNWHRSA-N -1 0 308.356 -0.959 20 0 DBADRM CCCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000035207916 519880192 /nfs/dbraw/zinc/88/01/92/519880192.db2.gz ABXRUCUQXUZFQB-UHFFFAOYSA-N -1 0 303.340 -0.472 20 0 DBADRM COC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000497209237 534170031 /nfs/dbraw/zinc/17/00/31/534170031.db2.gz KKIPPONGNYOMBC-UWVGGRQHSA-N -1 0 322.383 -0.008 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000286426868 535977663 /nfs/dbraw/zinc/97/76/63/535977663.db2.gz GVRBNTXOWUEDNM-KWQFWETISA-N -1 0 321.399 -0.881 20 0 DBADRM CC(C)C[C@@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000268957330 519237718 /nfs/dbraw/zinc/23/77/18/519237718.db2.gz VTOMEXWCQWZCIJ-MVIFTORASA-N -1 0 323.349 -0.287 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000331211653 519634723 /nfs/dbraw/zinc/63/47/23/519634723.db2.gz YYBBVYAGJSGPEZ-JTQLQIEISA-N -1 0 316.379 -0.095 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCCN1C(C)=O)[C@H](C)C(=O)[O-] ZINC000262292729 519661595 /nfs/dbraw/zinc/66/15/95/519661595.db2.gz YVTNDPUYESGVNI-BXKDBHETSA-N -1 0 313.354 -0.565 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)C[C@H]1CCOC1 ZINC000262455992 519662934 /nfs/dbraw/zinc/66/29/34/519662934.db2.gz ROZUCKFWUROHJH-ONGXEEELSA-N -1 0 322.383 -0.736 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262700959 519766456 /nfs/dbraw/zinc/76/64/56/519766456.db2.gz CEXBGQVVJGNNRH-JTQLQIEISA-N -1 0 307.368 -0.241 20 0 DBADRM CC(C)[C@@H](NC(=O)COCC(=O)NCc1cccnc1)C(=O)[O-] ZINC000262721536 519797166 /nfs/dbraw/zinc/79/71/66/519797166.db2.gz AKCHJNWPKQFJSZ-CQSZACIVSA-N -1 0 323.349 -0.060 20 0 DBADRM CC(C)[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000269094618 519817831 /nfs/dbraw/zinc/81/78/31/519817831.db2.gz YVVMWSMKXNHHQG-QRGHLMKCSA-N -1 0 309.322 -0.677 20 0 DBADRM CC(C)[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000346000249 519818826 /nfs/dbraw/zinc/81/88/26/519818826.db2.gz UPIAQSNRSFAZAB-JTQLQIEISA-N -1 0 307.310 -0.645 20 0 DBADRM CC(C)n1c(S)nnc1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000267622821 519922172 /nfs/dbraw/zinc/92/21/72/519922172.db2.gz VFVBJSPAJOMKGJ-UHFFFAOYSA-N -1 0 324.366 -0.123 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cccc(-n2cccn2)n1 ZINC000447634894 534501664 /nfs/dbraw/zinc/50/16/64/534501664.db2.gz VWLYTKQODQWAHO-UHFFFAOYSA-N -1 0 300.278 -0.084 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1csc(-c2nc[nH]n2)n1 ZINC000447634759 534503070 /nfs/dbraw/zinc/50/30/70/534503070.db2.gz AAEBLPOBCBQINI-UHFFFAOYSA-N -1 0 307.295 -0.423 20 0 DBADRM CCC[C@@H](NC(=O)[C@H]1CC(=O)N(CCOC)C1)c1nnn[n-]1 ZINC000343736532 520748806 /nfs/dbraw/zinc/74/88/06/520748806.db2.gz VPDOQAUOXSJROU-VHSXEESVSA-N -1 0 310.358 -0.348 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000262712366 520764034 /nfs/dbraw/zinc/76/40/34/520764034.db2.gz FSDDPEOPIKSLOD-NSHDSACASA-N -1 0 310.347 -0.317 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000263214352 520764878 /nfs/dbraw/zinc/76/48/78/520764878.db2.gz PIEKOYLJRWMQBC-UWVGGRQHSA-N -1 0 306.384 -0.020 20 0 DBADRM CCC[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1nnn[n-]1 ZINC000343723743 521145816 /nfs/dbraw/zinc/14/58/16/521145816.db2.gz HLAQKQHRKBADSO-QMMMGPOBSA-N -1 0 321.345 -0.849 20 0 DBADRM CCOC(=O)[C@H](CCOC)NC(=O)c1cnc([O-])n(C)c1=O ZINC000343921767 521245252 /nfs/dbraw/zinc/24/52/52/521245252.db2.gz HMGUPGBWXQODKV-VIFPVBQESA-N -1 0 313.310 -0.816 20 0 DBADRM CCOc1ccccc1C(=O)NCC(=O)NCc1n[nH]c(=O)[n-]1 ZINC000354041296 521457350 /nfs/dbraw/zinc/45/73/50/521457350.db2.gz HSWOYMFKXSAAFU-UHFFFAOYSA-N -1 0 319.321 -0.045 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)c2cn(C)c(=O)[nH]c2=O)[n-]1 ZINC000339175408 521574062 /nfs/dbraw/zinc/57/40/62/521574062.db2.gz YBQFNYRVYUWWKJ-UHFFFAOYSA-N -1 0 307.266 -0.362 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)N(C)[C@@H](C)C(=O)[O-])CC1 ZINC000054052062 521661864 /nfs/dbraw/zinc/66/18/64/521661864.db2.gz UJTZJBWCIFEQPS-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000312297291 521738230 /nfs/dbraw/zinc/73/82/30/521738230.db2.gz WAERTJOFKLIAOW-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM CCNC(=O)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000109746701 521739915 /nfs/dbraw/zinc/73/99/15/521739915.db2.gz GLGOMNDEHKYIIG-UHFFFAOYSA-N -1 0 304.354 -0.130 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(C(=O)[O-])o1 ZINC000347357799 521748907 /nfs/dbraw/zinc/74/89/07/521748907.db2.gz DWDHYLPUVBHCQA-MRVPVSSYSA-N -1 0 323.305 -0.555 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1 ZINC000262772861 521799031 /nfs/dbraw/zinc/79/90/31/521799031.db2.gz MOFPYEUFVSZHIZ-JTQLQIEISA-N -1 0 307.306 -0.243 20 0 DBADRM COC(=O)c1cc(S(N)(=O)=O)ccc1N(C)CC(=O)[O-] ZINC000263384517 521915954 /nfs/dbraw/zinc/91/59/54/521915954.db2.gz DMRSSPOBELLFMZ-UHFFFAOYSA-N -1 0 302.308 -0.359 20 0 DBADRM CN(C)S(=O)(=O)C[C@H]([N-]S(=O)(=O)C1CC1)C(F)(F)F ZINC000331793939 521955139 /nfs/dbraw/zinc/95/51/39/521955139.db2.gz VUMNGGXFKFWVLB-ZETCQYMHSA-N -1 0 324.346 -0.110 20 0 DBADRM COCC[C@H](NC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000262291614 521955795 /nfs/dbraw/zinc/95/57/95/521955795.db2.gz LINAJZXRQJPUHW-JTQLQIEISA-N -1 0 322.321 -0.508 20 0 DBADRM COCC[C@H](NC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)[O-] ZINC000262301525 521957462 /nfs/dbraw/zinc/95/74/62/521957462.db2.gz NTMBCQRUNACFGT-JTQLQIEISA-N -1 0 321.333 -0.054 20 0 DBADRM CN(C)S(=O)(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000020545551 521965744 /nfs/dbraw/zinc/96/57/44/521965744.db2.gz XKUVEKSWNSUJLC-UHFFFAOYSA-N -1 0 301.324 -0.281 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1 ZINC000275312449 522150558 /nfs/dbraw/zinc/15/05/58/522150558.db2.gz OHEFBHZEHWEVJM-UHFFFAOYSA-N -1 0 317.319 -0.459 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-][C@H](C(=O)OC)c1ccn(C)n1 ZINC000345648627 522266417 /nfs/dbraw/zinc/26/64/17/522266417.db2.gz XVRWKBRZGFOXQJ-SCZZXKLOSA-N -1 0 305.356 -0.412 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)[O-] ZINC000339352164 522376061 /nfs/dbraw/zinc/37/60/61/522376061.db2.gz KPCXQZPDFIHKNJ-KCJUWKMLSA-N -1 0 321.337 -0.255 20 0 DBADRM COC[C@@](C)(NC(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000262300723 522529116 /nfs/dbraw/zinc/52/91/16/522529116.db2.gz XJHUQLWAMAFFNR-CYBMUJFWSA-N -1 0 305.294 -0.118 20 0 DBADRM COCC1(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCC1 ZINC000332029724 522836678 /nfs/dbraw/zinc/83/66/78/522836678.db2.gz YOOTTXGXUMGAAJ-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM COCC1(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCC1 ZINC000332029742 522837988 /nfs/dbraw/zinc/83/79/88/522837988.db2.gz YOOTTXGXUMGAAJ-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)Cn1nc2ccccn2c1=O ZINC000262104365 522873792 /nfs/dbraw/zinc/87/37/92/522873792.db2.gz NIADLICKJAUBLM-AWEZNQCLSA-N -1 0 322.321 -0.508 20 0 DBADRM COC[C@](C)(NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-] ZINC000262101763 522883236 /nfs/dbraw/zinc/88/32/36/522883236.db2.gz GTPBDKHFUWUHOQ-HNNXBMFYSA-N -1 0 308.334 -0.049 20 0 DBADRM COC[C@](C)(NC(=O)c1cc(S(N)(=O)=O)c(C)o1)C(=O)[O-] ZINC000262055647 522886937 /nfs/dbraw/zinc/88/69/37/522886937.db2.gz GEZABOZOMYHXDP-NSHDSACASA-N -1 0 320.323 -0.545 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)[N-][C@@H](CF)C(=O)OC)CC1 ZINC000344978653 522926620 /nfs/dbraw/zinc/92/66/20/522926620.db2.gz DGUQOAYMWDFGSX-QMMMGPOBSA-N -1 0 311.331 -0.240 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000375696122 523061837 /nfs/dbraw/zinc/06/18/37/523061837.db2.gz GRZQSXWRAZICLC-IUCAKERBSA-N -1 0 308.356 -0.479 20 0 DBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2cnn(C)c2C)cn1 ZINC000291947919 523400903 /nfs/dbraw/zinc/40/09/03/523400903.db2.gz QGNWGKOCPSFLCE-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)CN2CCCS2(=O)=O)s[n-]1 ZINC000338027037 523452192 /nfs/dbraw/zinc/45/21/92/523452192.db2.gz ZNQKDLRBRBFVAT-ZETCQYMHSA-N -1 0 320.396 -0.359 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)CN(C)S(C)(=O)=O)s[n-]1 ZINC000338026209 523453280 /nfs/dbraw/zinc/45/32/80/523453280.db2.gz UULFPEIZXHHOQQ-LURJTMIESA-N -1 0 308.385 -0.503 20 0 DBADRM CO[C@@H](CNC(=O)CCn1nc2ccccn2c1=O)C(=O)[O-] ZINC000262869770 523514318 /nfs/dbraw/zinc/51/43/18/523514318.db2.gz IZJYXYMNPZLGLX-VIFPVBQESA-N -1 0 308.294 -0.898 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccc(-n2cnnn2)cc1 ZINC000261827233 523662498 /nfs/dbraw/zinc/66/24/98/523662498.db2.gz BGVKGIRNUQOWOQ-UHFFFAOYSA-N -1 0 305.294 -0.165 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000037492681 523721288 /nfs/dbraw/zinc/72/12/88/523721288.db2.gz ZYLCSNVAPXIVRD-LLVKDONJSA-N -1 0 324.399 -0.377 20 0 DBADRM COCCN1CCN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC000267542126 523851727 /nfs/dbraw/zinc/85/17/27/523851727.db2.gz AILPTUJNRHHSHJ-JTQLQIEISA-N -1 0 310.354 -0.721 20 0 DBADRM COCCNC(=O)CNC(=O)CSc1n[n-]c(=S)s1 ZINC000266943516 523895904 /nfs/dbraw/zinc/89/59/04/523895904.db2.gz CYKFINJWTWANQL-UHFFFAOYSA-N -1 0 322.437 -0.202 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)c1cn(C)cn1)c1ccn(C)n1 ZINC000345641466 523929621 /nfs/dbraw/zinc/92/96/21/523929621.db2.gz KUWREWPQBFBWGS-SNVBAGLBSA-N -1 0 313.339 -0.654 20 0 DBADRM CN1CCOC[C@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000343938318 523934721 /nfs/dbraw/zinc/93/47/21/523934721.db2.gz PYGBNXLXZPDFNJ-LURJTMIESA-N -1 0 321.384 -0.821 20 0 DBADRM CO[C@H](CNC(=O)Cn1cnc2sccc2c1=O)C(=O)[O-] ZINC000227272314 523939958 /nfs/dbraw/zinc/93/99/58/523939958.db2.gz HDXNVYAGXHEXLO-MRVPVSSYSA-N -1 0 311.319 -0.326 20 0 DBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000262719371 523958810 /nfs/dbraw/zinc/95/88/10/523958810.db2.gz UNGHUFWJRIDCQV-SSDOTTSWSA-N -1 0 319.339 -0.858 20 0 DBADRM Cc1cc(C(=O)N[C@H](C(N)=O)C(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266123706 524139906 /nfs/dbraw/zinc/13/99/06/524139906.db2.gz NBOVZGISQMPGAY-VIFPVBQESA-N -1 0 319.321 -0.016 20 0 DBADRM C[C@H](CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)[O-] ZINC000262499439 524374938 /nfs/dbraw/zinc/37/49/38/524374938.db2.gz HYSFDAJLOVCCTA-MRVPVSSYSA-N -1 0 313.335 -0.679 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC(C(C)(C)O)C2)C1 ZINC000332496024 524771843 /nfs/dbraw/zinc/77/18/43/524771843.db2.gz YGIGLPLZQDPOMF-VHSXEESVSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H](CO)O1 ZINC000347694034 524882182 /nfs/dbraw/zinc/88/21/82/524882182.db2.gz QGRVRVGYSXARPP-VXNVDRBHSA-N -1 0 320.305 -0.342 20 0 DBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000339151195 524893293 /nfs/dbraw/zinc/89/32/93/524893293.db2.gz ATXWCCWGPVABQA-LURJTMIESA-N -1 0 317.371 -0.303 20 0 DBADRM Cc1cccc2c(=O)n(CC(=O)NC[C@](C)(O)C(=O)[O-])cnc12 ZINC000349045924 524924426 /nfs/dbraw/zinc/92/44/26/524924426.db2.gz BNFUIZDSVCSWBQ-HNNXBMFYSA-N -1 0 319.317 -0.343 20 0 DBADRM COc1cncc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1 ZINC000337135708 524929732 /nfs/dbraw/zinc/92/97/32/524929732.db2.gz BWPIQCNFYFMHHU-UHFFFAOYSA-N -1 0 311.323 -0.427 20 0 DBADRM C[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000262811568 524934705 /nfs/dbraw/zinc/93/47/05/524934705.db2.gz UEQLGELTSBYYBW-VIFPVBQESA-N -1 0 300.336 -0.056 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000092921100 525079890 /nfs/dbraw/zinc/07/98/90/525079890.db2.gz WCTGQVAHFCDHLD-CBAPKCEASA-N -1 0 315.351 -0.392 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000092921096 525098291 /nfs/dbraw/zinc/09/82/91/525098291.db2.gz WCTGQVAHFCDHLD-IONNQARKSA-N -1 0 315.351 -0.392 20 0 DBADRM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(N)=O ZINC000339350297 525112798 /nfs/dbraw/zinc/11/27/98/525112798.db2.gz VMVVOYSAGKQTRL-ZCFIWIBFSA-N -1 0 321.305 -0.767 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC2(O)CCC2)C1 ZINC000331926589 525191406 /nfs/dbraw/zinc/19/14/06/525191406.db2.gz VPZBPYKFMZAPNL-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H](NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)C(=O)[O-] ZINC000262849326 525211144 /nfs/dbraw/zinc/21/11/44/525211144.db2.gz ZELADWMONZZVLJ-QMMMGPOBSA-N -1 0 305.290 -0.059 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)CN2CCCCCC2=O)n[n-]1 ZINC000338112757 525281385 /nfs/dbraw/zinc/28/13/85/525281385.db2.gz QKYDUBOUGYYFBU-UHFFFAOYSA-N -1 0 315.355 -0.451 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000261733618 525578803 /nfs/dbraw/zinc/57/88/03/525578803.db2.gz SUNXSMUWNVWQMY-SSDOTTSWSA-N -1 0 311.323 -0.372 20 0 DBADRM C[C@@](O)(CNC(=O)CCOc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000262453890 525768247 /nfs/dbraw/zinc/76/82/47/525768247.db2.gz WKKJQTPLZDBOFC-CQSZACIVSA-N -1 0 310.306 -0.494 20 0 DBADRM C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000338111672 525907833 /nfs/dbraw/zinc/90/78/33/525907833.db2.gz IWQWZBUGLCHBSZ-SFYZADRCSA-N -1 0 318.355 -0.269 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000338111671 525917759 /nfs/dbraw/zinc/91/77/59/525917759.db2.gz IWQWZBUGLCHBSZ-JGVFFNPUSA-N -1 0 318.355 -0.269 20 0 DBADRM Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC(=O)[O-])C2=O)cc1 ZINC000262655448 526051381 /nfs/dbraw/zinc/05/13/81/526051381.db2.gz LOFXVDOMPLQNFL-HNNXBMFYSA-N -1 0 319.317 -0.037 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000262845236 526180197 /nfs/dbraw/zinc/18/01/97/526180197.db2.gz DULHTKUXKGSDBJ-SSDOTTSWSA-N -1 0 320.305 -0.823 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)CSCC(=O)N1CCOCC1 ZINC000037457493 526250864 /nfs/dbraw/zinc/25/08/64/526250864.db2.gz NPPZZJDFRJDHIF-SECBINFHSA-N -1 0 304.368 -0.442 20 0 DBADRM Cc1cc(C(=O)NCC(C)(C)C(N)=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000265764912 526265220 /nfs/dbraw/zinc/26/52/20/526265220.db2.gz CRBXGDIJVSGLOT-UHFFFAOYSA-N -1 0 319.321 -0.014 20 0 DBADRM Cc1cc(C(=O)NCCC(=O)N(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000265859049 526266148 /nfs/dbraw/zinc/26/61/48/526266148.db2.gz WJJCVUAQRQPCEN-UHFFFAOYSA-N -1 0 319.321 -0.047 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(C3CC3)C2)C1 ZINC000331457090 526271203 /nfs/dbraw/zinc/27/12/03/526271203.db2.gz GJWLIKORMPVPLV-MEBBXXQBSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCC[C@H]2CCOC2)CCS1(=O)=O ZINC000333603381 526285086 /nfs/dbraw/zinc/28/50/86/526285086.db2.gz QTZMRNGRSRUVTF-UWVGGRQHSA-N -1 0 320.367 -0.694 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000262040243 526288086 /nfs/dbraw/zinc/28/80/86/526288086.db2.gz BTUNWJJHBFPOCJ-NSHDSACASA-N -1 0 303.278 -0.412 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCC(=O)NC1=O)c1ccccc1 ZINC000262852188 526308927 /nfs/dbraw/zinc/30/89/27/526308927.db2.gz GKSMXSVTPFCCHA-GFCCVEGCSA-N -1 0 305.290 -0.130 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)C1 ZINC000331962807 526326275 /nfs/dbraw/zinc/32/62/75/526326275.db2.gz PROAANVGNOGRDE-HBNTYKKESA-N -1 0 323.349 -0.811 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000262051859 526334190 /nfs/dbraw/zinc/33/41/90/526334190.db2.gz BWXCAMRIQLUJJX-QWRGUYRKSA-N -1 0 316.379 -0.220 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CCOC1 ZINC000262251201 526339137 /nfs/dbraw/zinc/33/91/37/526339137.db2.gz XTBKYBAJIURASL-BMIGLBTASA-N -1 0 322.317 -0.012 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCC(=O)NCC(F)(F)F)cn1 ZINC000263248177 526402615 /nfs/dbraw/zinc/40/26/15/526402615.db2.gz GOXRUSZBXJTCGK-UHFFFAOYSA-N -1 0 306.200 -0.417 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)NC1(c2nnn[n-]2)CCCC1 ZINC000346317881 526431633 /nfs/dbraw/zinc/43/16/33/526431633.db2.gz DCOWJXJRFBHKFY-UHFFFAOYSA-N -1 0 321.341 -0.583 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCCc1nc(=O)o[n-]1 ZINC000333154968 526716244 /nfs/dbraw/zinc/71/62/44/526716244.db2.gz BJSQKKNSOPUEIQ-RKDXNWHRSA-N -1 0 322.321 -0.803 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCNC(=O)N(C)C ZINC000160775404 526762708 /nfs/dbraw/zinc/76/27/08/526762708.db2.gz WWVDAOFZMNBHER-UHFFFAOYSA-N -1 0 319.339 -0.164 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)CCc1ccccc1)C(=O)[O-] ZINC000037462981 526875751 /nfs/dbraw/zinc/87/57/51/526875751.db2.gz HPPBZUVOXGCXCG-LLVKDONJSA-N -1 0 314.363 -0.133 20 0 DBADRM NC(=O)NC(=O)CC[N-]S(=O)(=O)c1c(F)cccc1F ZINC000343613411 526924841 /nfs/dbraw/zinc/92/48/41/526924841.db2.gz QTLBMOXKYATWEC-UHFFFAOYSA-N -1 0 307.278 -0.172 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])CCO1 ZINC000266560235 527013169 /nfs/dbraw/zinc/01/31/69/527013169.db2.gz NHLAZSNBKBWEAO-GFCCVEGCSA-N -1 0 316.317 -0.096 20 0 DBADRM Cn1cc(C(=O)NC2(c3nnn[n-]3)CCCC2)c(=O)[nH]c1=O ZINC000346348568 527162368 /nfs/dbraw/zinc/16/23/68/527162368.db2.gz KIAWEBVHFPRSTP-UHFFFAOYSA-N -1 0 305.298 -0.802 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@@H](CO)C1)C(=O)[O-] ZINC000424492934 528317768 /nfs/dbraw/zinc/31/77/68/528317768.db2.gz NLOJZTDAAFGCSX-MNOVXSKESA-N -1 0 300.355 -0.310 20 0 DBADRM CC(C)C[C@@]1(CO)CCCN1C(=O)C(=O)NCCC(=O)[O-] ZINC000420600934 528431191 /nfs/dbraw/zinc/43/11/91/528431191.db2.gz OKYNXADDJUJAGW-CQSZACIVSA-N -1 0 300.355 -0.023 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)OC)C1 ZINC000491477009 528851153 /nfs/dbraw/zinc/85/11/53/528851153.db2.gz OSBHEIGGRRLGMT-SNVBAGLBSA-N -1 0 322.383 -0.053 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cncn2C)C1=O ZINC000455775114 528930906 /nfs/dbraw/zinc/93/09/06/528930906.db2.gz BIRZEWFHEKACDT-MWLCHTKSSA-N -1 0 308.338 -0.140 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)CCCC(=O)OC ZINC000491550545 529061734 /nfs/dbraw/zinc/06/17/34/529061734.db2.gz RRONYOQIVGHECQ-UHFFFAOYSA-N -1 0 324.355 -0.478 20 0 DBADRM CC(C)N1C[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1=O ZINC000420550949 529100285 /nfs/dbraw/zinc/10/02/85/529100285.db2.gz RBPZQTLLIULDHX-VHSXEESVSA-N -1 0 311.338 -0.955 20 0 DBADRM CCCNC(=O)CN(CCC)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000274912070 535060902 /nfs/dbraw/zinc/06/09/02/535060902.db2.gz UTRTVPMLNQFCCX-UHFFFAOYSA-N -1 0 315.399 -0.045 20 0 DBADRM CC(C)OC[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CCO1 ZINC000372140990 535348121 /nfs/dbraw/zinc/34/81/21/535348121.db2.gz VBAAJQDXSBAZRT-JTQLQIEISA-N -1 0 311.338 -0.248 20 0 DBADRM CCCc1nc(=NC(=O)N[C@@H](CCOC)C(N)=O)s[n-]1 ZINC000350899727 535473253 /nfs/dbraw/zinc/47/32/53/535473253.db2.gz MECGXHYQKNCTMT-ZETCQYMHSA-N -1 0 301.372 -0.076 20 0 DBADRM CCC[C@H](NC(=O)c1cccn2c(=O)[nH]nc12)c1nnn[n-]1 ZINC000272548514 535695598 /nfs/dbraw/zinc/69/55/98/535695598.db2.gz AMKLNVKTYFLQKO-QMMMGPOBSA-N -1 0 302.298 -0.193 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000275388517 535781887 /nfs/dbraw/zinc/78/18/87/535781887.db2.gz YDNALBFLCSJJSM-UHFFFAOYSA-N -1 0 311.323 -0.243 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC)C(N)=O ZINC000357704066 535927984 /nfs/dbraw/zinc/92/79/84/535927984.db2.gz SZYUUQDAUMWRJK-QMMMGPOBSA-N -1 0 316.335 -0.064 20 0 DBADRM CCc1ccccc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000275045092 535974038 /nfs/dbraw/zinc/97/40/38/535974038.db2.gz WQOGJELIYSFSJQ-UHFFFAOYSA-N -1 0 300.336 -0.272 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000408073915 536065190 /nfs/dbraw/zinc/06/51/90/536065190.db2.gz YDUAVBNVUKVKIA-QMMMGPOBSA-N -1 0 317.371 -0.892 20 0 DBADRM COC(=O)Cc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])s1 ZINC000275194922 536368233 /nfs/dbraw/zinc/36/82/33/536368233.db2.gz FZCIKOWZBZTQEO-ZETCQYMHSA-N -1 0 323.348 -0.813 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)Cn1nnc2ccccc2c1=O ZINC000362329449 536818513 /nfs/dbraw/zinc/81/85/13/536818513.db2.gz FMTOCYSWWZVVKS-UHFFFAOYSA-N -1 0 320.305 -0.649 20 0 DBADRM COc1c(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)c(C)nn1C ZINC000408405336 536846878 /nfs/dbraw/zinc/84/68/78/536846878.db2.gz QPNFLHCGDFCEQD-VIFPVBQESA-N -1 0 317.367 -0.024 20 0 DBADRM COC[C@H](CO)NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000279977238 536855278 /nfs/dbraw/zinc/85/52/78/536855278.db2.gz KTHSGGCIPCIICA-VIFPVBQESA-N -1 0 320.342 -0.066 20 0 DBADRM CC(C)[C@@H](CCO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000735708711 599322387 /nfs/dbraw/zinc/32/23/87/599322387.db2.gz OAEDJZVASUKMCJ-MRVPVSSYSA-N -1 0 323.357 -0.917 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000736477746 599725261 /nfs/dbraw/zinc/72/52/61/599725261.db2.gz QHCYKMHHPIQVBW-UHFFFAOYSA-N -1 0 314.386 -0.299 20 0 DBADRM COCCCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737759804 599740160 /nfs/dbraw/zinc/74/01/60/599740160.db2.gz NWXWQZWACBHEEB-MXWKQRLJSA-N -1 0 319.379 -0.241 20 0 DBADRM C[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)[C@@H]1CCOC1 ZINC000820450055 599043115 /nfs/dbraw/zinc/04/31/15/599043115.db2.gz GMZUOAZPNKILKL-JGVFFNPUSA-N -1 0 321.341 -0.899 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CCO1 ZINC000831670970 601517906 /nfs/dbraw/zinc/51/79/06/601517906.db2.gz DOFHURPKMAYZCR-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C)C(=O)[O-] ZINC000827547542 601792939 /nfs/dbraw/zinc/79/29/39/601792939.db2.gz UZUYPDBMROLDGL-VGMNWLOBSA-N -1 0 313.397 -0.456 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCCCNC2=O)o1 ZINC000037028121 599769267 /nfs/dbraw/zinc/76/92/67/599769267.db2.gz VOPAOZLXAHAOTC-ZETCQYMHSA-N -1 0 302.308 -0.075 20 0 DBADRM C[C@@H](O)[C@@H](C)Sc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820467563 599100295 /nfs/dbraw/zinc/10/02/95/599100295.db2.gz JSAUCJSSLXOGSU-PHDIDXHHSA-N -1 0 312.355 -0.875 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCC(F)(F)F)n(C)c1=O ZINC000822599308 599103769 /nfs/dbraw/zinc/10/37/69/599103769.db2.gz CPMZWRQKLYEWIV-UHFFFAOYSA-N -1 0 319.247 -0.372 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCN(CC(N)=O)CC1 ZINC000739287619 602190142 /nfs/dbraw/zinc/19/01/42/602190142.db2.gz WCQKTYUIJISNSL-CYBMUJFWSA-N -1 0 300.359 -0.558 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CCCCCO)c1 ZINC000821666918 599125175 /nfs/dbraw/zinc/12/51/75/599125175.db2.gz MCIINJFRWJDJGY-UHFFFAOYSA-N -1 0 307.310 -0.022 20 0 DBADRM O=C([O-])N1CC[C@H](CCNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000740433643 602413635 /nfs/dbraw/zinc/41/36/35/602413635.db2.gz MJGKUJZKAJSDJM-VHSXEESVSA-N -1 0 304.368 -0.073 20 0 DBADRM C[C@H]1CN(C(=O)NCCNS(C)(=O)=O)C[C@H](C)N1C(=O)[O-] ZINC000739136327 602887617 /nfs/dbraw/zinc/88/76/17/602887617.db2.gz DNSCOLDOLWIVGD-IUCAKERBSA-N -1 0 322.387 -0.682 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2ncc(C)o2)c1=O ZINC000736719994 599161549 /nfs/dbraw/zinc/16/15/49/599161549.db2.gz VNKBDZSSTGRDLN-UHFFFAOYSA-N -1 0 303.282 -0.445 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000738860165 602974565 /nfs/dbraw/zinc/97/45/65/602974565.db2.gz LZJBHEZRRPTTLX-VHSXEESVSA-N -1 0 321.399 -0.133 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000737676241 602980130 /nfs/dbraw/zinc/98/01/30/602980130.db2.gz URMWVASEKUISCF-RKDXNWHRSA-N -1 0 307.372 -0.139 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H](CO)C(C)(C)C)n(C)c1=O ZINC000737595577 599350337 /nfs/dbraw/zinc/35/03/37/599350337.db2.gz IEVRRNGJYCQZEE-ZETCQYMHSA-N -1 0 323.357 -0.917 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N(C)CCCNC(=O)[O-] ZINC000738799338 603186873 /nfs/dbraw/zinc/18/68/73/603186873.db2.gz ZWQRHWDRQMJTDT-SECBINFHSA-N -1 0 309.388 -0.324 20 0 DBADRM CN(CC(=O)[O-])C(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000737974075 596899436 /nfs/dbraw/zinc/89/94/36/596899436.db2.gz MRXGCECHVGKTPE-UHFFFAOYSA-N -1 0 318.337 -0.116 20 0 DBADRM CN(CC(=O)[O-])C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000739626197 596900144 /nfs/dbraw/zinc/90/01/44/596900144.db2.gz AKFUCFPMBGRXFX-LLVKDONJSA-N -1 0 304.306 -0.350 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000817750439 596905002 /nfs/dbraw/zinc/90/50/02/596905002.db2.gz VYFULFRCFVBFLH-GMSGAONNSA-N -1 0 313.335 -0.352 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037492678 596925894 /nfs/dbraw/zinc/92/58/94/596925894.db2.gz QHVLCFGGFPFLFA-UHFFFAOYSA-N -1 0 324.399 -0.377 20 0 DBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)NCC(=O)[O-])ccc1F ZINC000818374431 596933641 /nfs/dbraw/zinc/93/36/41/596933641.db2.gz NDCOFOGYPIOGDU-UHFFFAOYSA-N -1 0 311.269 -0.333 20 0 DBADRM CN1CC(=O)N(CCCC(=O)N2CCC(C(=O)[O-])CC2)C1=O ZINC000314111417 596935299 /nfs/dbraw/zinc/93/52/99/596935299.db2.gz KFKKUACSFKEFPY-UHFFFAOYSA-N -1 0 311.338 -0.016 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000819051419 596947715 /nfs/dbraw/zinc/94/77/15/596947715.db2.gz SPRGJYSBPRLGGR-ZETCQYMHSA-N -1 0 302.308 -0.218 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCc2nnc3n2CCC3)CCO1 ZINC000819310593 596959976 /nfs/dbraw/zinc/95/99/76/596959976.db2.gz JIYFDVUKXVRQHO-VIFPVBQESA-N -1 0 309.326 -0.738 20 0 DBADRM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N(C)CC(=O)[O-] ZINC000738361923 596982732 /nfs/dbraw/zinc/98/27/32/596982732.db2.gz OXOYEYMTMGCSIZ-UHFFFAOYSA-N -1 0 306.322 -0.036 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000818432263 596991591 /nfs/dbraw/zinc/99/15/91/596991591.db2.gz KVZIOKLGGFDJTO-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N(C)CCC(=O)[O-] ZINC000818113896 597004784 /nfs/dbraw/zinc/00/47/84/597004784.db2.gz RZORCKDACTYION-UWVGGRQHSA-N -1 0 321.399 -0.228 20 0 DBADRM CN(CCC(=O)[O-])C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000818429137 597005282 /nfs/dbraw/zinc/00/52/82/597005282.db2.gz QJYSIESKKDYSBW-NSHDSACASA-N -1 0 313.354 -0.118 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)CCC(=O)[O-])C1 ZINC000262985182 597011613 /nfs/dbraw/zinc/01/16/13/597011613.db2.gz NSHGHWYZTUOWHB-SNVBAGLBSA-N -1 0 306.384 -0.019 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NC2(C(=O)[O-])CCCC2)nn1 ZINC000262589289 597035682 /nfs/dbraw/zinc/03/56/82/597035682.db2.gz UFCFAHXRFSCVGR-UHFFFAOYSA-N -1 0 309.326 -0.507 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000740482574 597044020 /nfs/dbraw/zinc/04/40/20/597044020.db2.gz VBFGCYKZTGLPJL-UHFFFAOYSA-N -1 0 307.241 -0.454 20 0 DBADRM Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)NCC(=O)[O-] ZINC000740081673 597045261 /nfs/dbraw/zinc/04/52/61/597045261.db2.gz YRCDAVWTHABVDR-UHFFFAOYSA-N -1 0 321.333 -0.029 20 0 DBADRM CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000739747168 597047308 /nfs/dbraw/zinc/04/73/08/597047308.db2.gz POAQRZOHSOUIHA-UHFFFAOYSA-N -1 0 309.278 -0.806 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000063142707 597053548 /nfs/dbraw/zinc/05/35/48/597053548.db2.gz YRCPBLJZLHLKQP-SECBINFHSA-N -1 0 313.397 -0.453 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)NCCN2C(=O)CNC2=O)C1 ZINC000819358179 597061398 /nfs/dbraw/zinc/06/13/98/597061398.db2.gz XKUXJDFNDZDINX-SECBINFHSA-N -1 0 312.326 -0.566 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)NCCN2C(=O)CNC2=O)C1 ZINC000819358180 597061415 /nfs/dbraw/zinc/06/14/15/597061415.db2.gz XKUXJDFNDZDINX-VIFPVBQESA-N -1 0 312.326 -0.566 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000819351597 597092351 /nfs/dbraw/zinc/09/23/51/597092351.db2.gz ZTWCBJWWTYWKMP-NSHDSACASA-N -1 0 318.395 -0.570 20 0 DBADRM O=C([O-])CSCC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000740485912 597096595 /nfs/dbraw/zinc/09/65/95/597096595.db2.gz RZMDASAODSAIJC-UHFFFAOYSA-N -1 0 315.395 -0.773 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)CSCC(=O)[O-])CC1 ZINC000738523520 597097540 /nfs/dbraw/zinc/09/75/40/597097540.db2.gz KNKOOOQVAZJYTQ-UHFFFAOYSA-N -1 0 303.384 -0.916 20 0 DBADRM NS(=O)(=O)CC1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000740341167 597100794 /nfs/dbraw/zinc/10/07/94/597100794.db2.gz KDXAIVLHRRYZMU-UHFFFAOYSA-N -1 0 310.397 -0.669 20 0 DBADRM NC(=O)c1cc(NC(=O)CSCC(=O)[O-])cc(C(N)=O)c1 ZINC000157447792 597104257 /nfs/dbraw/zinc/10/42/57/597104257.db2.gz OGDRYCLGHNUAEL-UHFFFAOYSA-N -1 0 311.319 -0.359 20 0 DBADRM COC(=O)COc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1 ZINC000261897000 597131701 /nfs/dbraw/zinc/13/17/01/597131701.db2.gz XXWBKYNADHIDPD-UHFFFAOYSA-N -1 0 317.319 -0.009 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000818003502 597133211 /nfs/dbraw/zinc/13/32/11/597133211.db2.gz DETVEEFCDIUQRH-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000819473212 597136136 /nfs/dbraw/zinc/13/61/36/597136136.db2.gz FCWVNMQAXVRHGR-JTQLQIEISA-N -1 0 310.310 -0.409 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000819473214 597136236 /nfs/dbraw/zinc/13/62/36/597136236.db2.gz FCWVNMQAXVRHGR-SNVBAGLBSA-N -1 0 310.310 -0.409 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000261801163 597172183 /nfs/dbraw/zinc/17/21/83/597172183.db2.gz FRPNSOHFWBHEKO-LLVKDONJSA-N -1 0 319.317 -0.308 20 0 DBADRM NS(=O)(=O)c1ccc(OCC(=O)NCCC(=O)[O-])cc1 ZINC000819131015 597209985 /nfs/dbraw/zinc/20/99/85/597209985.db2.gz ZDHWPILHZOBCNZ-UHFFFAOYSA-N -1 0 302.308 -0.696 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccn(Cc2ccccn2)n1)C(=O)[O-] ZINC000818023365 597213383 /nfs/dbraw/zinc/21/33/83/597213383.db2.gz XBJFMYNABODKLF-SECBINFHSA-N -1 0 317.305 -0.146 20 0 DBADRM O=C([O-])CCNC(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000819484794 597216655 /nfs/dbraw/zinc/21/66/55/597216655.db2.gz WMVGMDIONCDSSL-ZDUSSCGKSA-N -1 0 317.411 -0.032 20 0 DBADRM O=C([O-])CCNC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000263189308 597219204 /nfs/dbraw/zinc/21/92/04/597219204.db2.gz GBLQRNRFYKQICZ-UHFFFAOYSA-N -1 0 307.372 -0.520 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000818255750 597224746 /nfs/dbraw/zinc/22/47/46/597224746.db2.gz QMSITSQXFVMGHL-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM Cn1cc(N2CCC[C@H](NC(=O)NCCC(=O)[O-])C2=O)cn1 ZINC000819067667 597228184 /nfs/dbraw/zinc/22/81/84/597228184.db2.gz NHFLVDXITNLOFE-JTQLQIEISA-N -1 0 309.326 -0.311 20 0 DBADRM C[C@@H](C(=O)N(C)CCC(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC000817728006 597233670 /nfs/dbraw/zinc/23/36/70/597233670.db2.gz UONAJLIRBMBTPI-VIFPVBQESA-N -1 0 307.368 -0.098 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000738436707 597248737 /nfs/dbraw/zinc/24/87/37/597248737.db2.gz JNEVMFJPALZWPY-SNVBAGLBSA-N -1 0 319.317 -0.414 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000819522130 597250405 /nfs/dbraw/zinc/25/04/05/597250405.db2.gz YQMWJZPUNULFPH-UHFFFAOYSA-N -1 0 302.084 -0.017 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000819521487 597251994 /nfs/dbraw/zinc/25/19/94/597251994.db2.gz JHEMKAWAKHPHAK-UHFFFAOYSA-N -1 0 320.305 -0.254 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cn1 ZINC000738140110 597252914 /nfs/dbraw/zinc/25/29/14/597252914.db2.gz IYXDPJDVWWAYKM-UHFFFAOYSA-N -1 0 315.307 -0.986 20 0 DBADRM NC(=O)COc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000738440947 597256828 /nfs/dbraw/zinc/25/68/28/597256828.db2.gz OACTVRKZQHBUPH-UHFFFAOYSA-N -1 0 309.278 -0.920 20 0 DBADRM COCCC(=O)N1CCC(NC(=O)CSCC(=O)[O-])CC1 ZINC000818533572 597258841 /nfs/dbraw/zinc/25/88/41/597258841.db2.gz IMYRASWKXIIQRY-UHFFFAOYSA-N -1 0 318.395 -0.052 20 0 DBADRM NC(=O)Cn1cc(C(=O)Nc2ccccc2CC(=O)[O-])nn1 ZINC000819116984 597267825 /nfs/dbraw/zinc/26/78/25/597267825.db2.gz OJSRJIGORVARTD-UHFFFAOYSA-N -1 0 303.278 -0.357 20 0 DBADRM O=C([O-])CSCC(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000128191689 597268801 /nfs/dbraw/zinc/26/88/01/597268801.db2.gz HWNXCTCCRQJMDX-UHFFFAOYSA-N -1 0 318.395 -0.459 20 0 DBADRM NC(=O)C1(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC000819111064 597269390 /nfs/dbraw/zinc/26/93/90/597269390.db2.gz KVLSCRLACKYBHS-LLVKDONJSA-N -1 0 316.317 -0.160 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)NCCCC(=O)[O-])C1 ZINC000702972416 597307976 /nfs/dbraw/zinc/30/79/76/597307976.db2.gz LTZJQSAIDFSNNQ-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM C[C@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)C(=O)[O-] ZINC000738956133 597310182 /nfs/dbraw/zinc/31/01/82/597310182.db2.gz DTCVVFYNMFFMAZ-VIFPVBQESA-N -1 0 318.337 -0.070 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000817706510 597313880 /nfs/dbraw/zinc/31/38/80/597313880.db2.gz VOLNSINAWMDXOL-UHFFFAOYSA-N -1 0 308.290 -0.320 20 0 DBADRM NC(=O)CCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000819116976 597346257 /nfs/dbraw/zinc/34/62/57/597346257.db2.gz NMBRHMNDXKTJMB-UHFFFAOYSA-N -1 0 307.306 -0.366 20 0 DBADRM CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000818378405 597353125 /nfs/dbraw/zinc/35/31/25/597353125.db2.gz TXGIUBGPUZGYLD-UHFFFAOYSA-N -1 0 322.321 -0.674 20 0 DBADRM COC[C@@H](O)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818533767 597353195 /nfs/dbraw/zinc/35/31/95/597353195.db2.gz QUHKLHKNJRHTRL-JTQLQIEISA-N -1 0 310.306 -0.624 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1)C(=O)[O-] ZINC000737676776 597358380 /nfs/dbraw/zinc/35/83/80/597358380.db2.gz PTDQEXPMVBXEOT-PSASIEDQSA-N -1 0 322.321 -0.234 20 0 DBADRM NC(=O)c1csc(C(=O)OCc2cn(CC(=O)[O-])nn2)c1 ZINC000821357016 597360430 /nfs/dbraw/zinc/36/04/30/597360430.db2.gz BERDNAWHHAKAEX-UHFFFAOYSA-N -1 0 310.291 -0.120 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCO1 ZINC000738552077 597375461 /nfs/dbraw/zinc/37/54/61/597375461.db2.gz WVRKIWYNUIKVSA-JTQLQIEISA-N -1 0 319.273 -0.858 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-n3cncn3)nc2)CCO1 ZINC000386871656 597379339 /nfs/dbraw/zinc/37/93/39/597379339.db2.gz DBQDTINFYOFAHM-JTQLQIEISA-N -1 0 303.278 -0.412 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000821209250 597389299 /nfs/dbraw/zinc/38/92/99/597389299.db2.gz QZCGFQDFXUOKHZ-VIFPVBQESA-N -1 0 310.310 -0.713 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000821209242 597389493 /nfs/dbraw/zinc/38/94/93/597389493.db2.gz QZCGFQDFXUOKHZ-SECBINFHSA-N -1 0 310.310 -0.713 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NC[C@]1(O)CCOC1 ZINC000821539039 597392799 /nfs/dbraw/zinc/39/27/99/597392799.db2.gz DLECUYXUQQOZSJ-OAHLLOKOSA-N -1 0 322.317 -0.480 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)c1 ZINC000821536842 597393249 /nfs/dbraw/zinc/39/32/49/597393249.db2.gz AWLIBYWDWOOAEQ-HNNXBMFYSA-N -1 0 322.317 -0.480 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cccn(C)c1=O)C(=O)[O-] ZINC000820429708 597409565 /nfs/dbraw/zinc/40/95/65/597409565.db2.gz BJFDPHMFZHMKII-WPRPVWTQSA-N -1 0 309.322 -0.061 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCNC(=O)c2ccco2)CCO1 ZINC000738499168 597415321 /nfs/dbraw/zinc/41/53/21/597415321.db2.gz AJYFKGXZGXQINC-JTQLQIEISA-N -1 0 311.294 -0.496 20 0 DBADRM COC(=O)c1nc2nc(C)cc(N3CCO[C@@H](C(=O)[O-])C3)n2n1 ZINC000818528216 597441179 /nfs/dbraw/zinc/44/11/79/597441179.db2.gz PWQFPCPPHPYKRI-MRVPVSSYSA-N -1 0 321.293 -0.491 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCCOC[C@H]2CCOC2)CCO1 ZINC000819310580 597449721 /nfs/dbraw/zinc/44/97/21/597449721.db2.gz IFPPUEDPHUDAJC-NEPJUHHUSA-N -1 0 316.354 -0.075 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000022157989 597455432 /nfs/dbraw/zinc/45/54/32/597455432.db2.gz RTEQPCMVDRKRAH-QMMMGPOBSA-N -1 0 301.324 -0.638 20 0 DBADRM C[C@H](C(=O)[O-])N(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000817772012 597470875 /nfs/dbraw/zinc/47/08/75/597470875.db2.gz DLGWYBFPLJISRW-MRVPVSSYSA-N -1 0 315.351 -0.323 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000817779424 597482217 /nfs/dbraw/zinc/48/22/17/597482217.db2.gz OOOHHGWMYANWQR-GXSJLCMTSA-N -1 0 308.338 -0.300 20 0 DBADRM C[C@H](C(=O)[O-])N(C)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000817779426 597482283 /nfs/dbraw/zinc/48/22/83/597482283.db2.gz OOOHHGWMYANWQR-MWLCHTKSSA-N -1 0 308.338 -0.300 20 0 DBADRM Cn1nc2c(c1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)CCC2 ZINC000821315561 597490649 /nfs/dbraw/zinc/49/06/49/597490649.db2.gz WXMVBVFPWFGFFG-QMMMGPOBSA-N -1 0 306.322 -0.220 20 0 DBADRM C[C@@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)[O-] ZINC000820165406 597493292 /nfs/dbraw/zinc/49/32/92/597493292.db2.gz DHWGWSRDVUHRIH-SSDOTTSWSA-N -1 0 300.292 -0.500 20 0 DBADRM O=C([O-])[C@H]1CCCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000037435691 597494551 /nfs/dbraw/zinc/49/45/51/597494551.db2.gz DWTQQNGHEHKWQG-DTWKUNHWSA-N -1 0 307.393 -0.018 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)CSCC(=O)[O-] ZINC000818114101 597495091 /nfs/dbraw/zinc/49/50/91/597495091.db2.gz WOFGAHVRGRSGIK-BDAKNGLRSA-N -1 0 324.424 -0.410 20 0 DBADRM COc1ccc(C(=O)O[C@H](C)C(=O)[O-])cc1S(N)(=O)=O ZINC000738092253 597496154 /nfs/dbraw/zinc/49/61/54/597496154.db2.gz ICHBPCUTSTYSOI-ZCFIWIBFSA-N -1 0 303.292 -0.028 20 0 DBADRM C[C@H](OC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000737710315 597497459 /nfs/dbraw/zinc/49/74/59/597497459.db2.gz XBOBMTWRWVRIQD-CIUDSAMLSA-N -1 0 319.335 -0.962 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000062118672 597499196 /nfs/dbraw/zinc/49/91/96/597499196.db2.gz WDVNRNPMCJNWMS-DTWKUNHWSA-N -1 0 307.393 -0.160 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC000062118477 597502606 /nfs/dbraw/zinc/50/26/06/597502606.db2.gz MBDKZCFHJNTLLD-NSHDSACASA-N -1 0 318.395 -0.019 20 0 DBADRM CN(CC(=O)N1CC[C@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000818394643 597504792 /nfs/dbraw/zinc/50/47/92/597504792.db2.gz JKKWRFQPZFCRSA-UWVGGRQHSA-N -1 0 304.368 -0.962 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC000818486096 597508190 /nfs/dbraw/zinc/50/81/90/597508190.db2.gz KIBREZVIGMTMGU-JTQLQIEISA-N -1 0 312.370 -0.687 20 0 DBADRM CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000818486389 597515924 /nfs/dbraw/zinc/51/59/24/597515924.db2.gz WCXNLXUUCDEUCM-QMMMGPOBSA-N -1 0 323.305 -0.661 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1)C(=O)[O-] ZINC000818022211 597516862 /nfs/dbraw/zinc/51/68/62/597516862.db2.gz FOIZLELWTHLWBP-MRVPVSSYSA-N -1 0 320.305 -0.256 20 0 DBADRM CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000818486157 597517172 /nfs/dbraw/zinc/51/71/72/597517172.db2.gz LFFJSEZPRHKMJY-QMMMGPOBSA-N -1 0 307.306 -0.497 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)N(C)C)c1)C(=O)[O-] ZINC000818023363 597517788 /nfs/dbraw/zinc/51/77/88/597517788.db2.gz XADSNWORIOQHFQ-QMMMGPOBSA-N -1 0 307.306 -0.084 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(OCCC(N)=O)cc1)C(=O)[O-] ZINC000818018347 597518177 /nfs/dbraw/zinc/51/81/77/597518177.db2.gz OIULCGBZMJLCCU-QMMMGPOBSA-N -1 0 323.305 -0.531 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000818018361 597519207 /nfs/dbraw/zinc/51/92/07/597519207.db2.gz ORDBCVWKXSLIJD-SSDOTTSWSA-N -1 0 304.266 -0.810 20 0 DBADRM COCCOc1ncccc1NC(=O)C(=O)N[C@@H](C)C(=O)[O-] ZINC000818545360 597519710 /nfs/dbraw/zinc/51/97/10/597519710.db2.gz ARUVFVJBMQIUOP-QMMMGPOBSA-N -1 0 311.294 -0.365 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC000818021974 597520222 /nfs/dbraw/zinc/52/02/22/597520222.db2.gz AKJHJBBXYVCPCT-ZETCQYMHSA-N -1 0 309.278 -0.922 20 0 DBADRM C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CC[C@H](C(=O)[O-])C1 ZINC000817728014 597529161 /nfs/dbraw/zinc/52/91/61/597529161.db2.gz UWRUOMCRGVCQQO-VWYCJHECSA-N -1 0 318.395 -0.573 20 0 DBADRM CCN(C(=O)CN1CC[C@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000062133965 597530269 /nfs/dbraw/zinc/53/02/69/597530269.db2.gz HXNRPDBOMZDASD-QWRGUYRKSA-N -1 0 318.395 -0.572 20 0 DBADRM Nc1c(C(=O)CN2CC[C@H](C(=O)[O-])C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000819131004 597536285 /nfs/dbraw/zinc/53/62/85/597536285.db2.gz YMJRVTASFBISEZ-ZETCQYMHSA-N -1 0 322.321 -0.545 20 0 DBADRM Cn1c(CCC(N)=O)nn(CN2CC[C@@H](C(=O)[O-])C2)c1=S ZINC000819063549 597539027 /nfs/dbraw/zinc/53/90/27/597539027.db2.gz DLDWBHGTKCJGSL-MRVPVSSYSA-N -1 0 313.383 -0.267 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(CCO)CC1)C(=O)[O-] ZINC000033450238 599960136 /nfs/dbraw/zinc/96/01/36/599960136.db2.gz BJWFJLZTWQGUKQ-WCQYABFASA-N -1 0 301.387 -0.788 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC000821357077 597610901 /nfs/dbraw/zinc/61/09/01/597610901.db2.gz GPTMXRAIIATGDQ-SSDOTTSWSA-N -1 0 306.278 -0.948 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccnn1-c1ccncc1)C(=O)[O-] ZINC000820115370 597611428 /nfs/dbraw/zinc/61/14/28/597611428.db2.gz VIAZZPRSLMDKBE-QMMMGPOBSA-N -1 0 303.278 -0.205 20 0 DBADRM CCc1nnc2n1C[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)CC2 ZINC000820504192 597665681 /nfs/dbraw/zinc/66/56/81/597665681.db2.gz YPHBJQMOBRUIGQ-VHSXEESVSA-N -1 0 323.353 -0.350 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CCO1 ZINC000821510351 597667914 /nfs/dbraw/zinc/66/79/14/597667914.db2.gz BBJJXFJSISXPSK-ONGXEEELSA-N -1 0 311.338 -0.508 20 0 DBADRM CC(=O)NCCN(CC(=O)Nc1cc(C)on1)[C@@H](C)C(=O)[O-] ZINC000819770449 597675042 /nfs/dbraw/zinc/67/50/42/597675042.db2.gz SSNWGKQLGXHAPK-VIFPVBQESA-N -1 0 312.326 -0.167 20 0 DBADRM CC(=O)NCCN(CC(=O)N1CCO[C@@H](C)C1)[C@@H](C)C(=O)[O-] ZINC000819770536 597678040 /nfs/dbraw/zinc/67/80/40/597678040.db2.gz XHRIYCLCEPGONH-QWRGUYRKSA-N -1 0 315.370 -0.855 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C\c1ccncn1)[C@H](C)C(=O)[O-] ZINC000819744522 597688385 /nfs/dbraw/zinc/68/83/85/597688385.db2.gz RLBZCOLVFCIYRY-UMBAGQNISA-N -1 0 306.322 -0.072 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCc2n[nH]cc2C1)[C@@H](C)C(=O)[O-] ZINC000819744613 597688411 /nfs/dbraw/zinc/68/84/11/597688411.db2.gz WCDGAIFPPDMFOD-GXSJLCMTSA-N -1 0 322.365 -0.048 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1nc(C)no1)[C@@H](C)C(=O)[O-] ZINC000262178415 597691005 /nfs/dbraw/zinc/69/10/05/597691005.db2.gz FAQVVKZDIKLNSI-QMMMGPOBSA-N -1 0 312.326 -0.252 20 0 DBADRM CC(=O)NCCN(C(=O)C(=O)c1cnn(C)c1)[C@@H](C)C(=O)[O-] ZINC000819744331 597691835 /nfs/dbraw/zinc/69/18/35/597691835.db2.gz HOQOUFXMRJPMSG-QMMMGPOBSA-N -1 0 310.310 -0.959 20 0 DBADRM CC(=O)NCCN(C(=O)c1cc(C(N)=O)cn1C)[C@H](C)C(=O)[O-] ZINC000819753070 597692798 /nfs/dbraw/zinc/69/27/98/597692798.db2.gz METVRNAFVAKUFV-MRVPVSSYSA-N -1 0 324.337 -0.825 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C/c1cnn(C)c1)[C@@H](C)C(=O)[O-] ZINC000781136918 597693664 /nfs/dbraw/zinc/69/36/64/597693664.db2.gz RFEFBZSUSURKLN-YEZKRMTDSA-N -1 0 308.338 -0.129 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc(=O)n(C)c1)[C@@H](C)C(=O)[O-] ZINC000819753123 597693747 /nfs/dbraw/zinc/69/37/47/597693747.db2.gz QICSYKDDJYIYPD-VIFPVBQESA-N -1 0 309.322 -0.563 20 0 DBADRM O=C([O-])C1CCC(NC(=O)NCCN2CCNC(=O)C2)CC1 ZINC000821557496 597698008 /nfs/dbraw/zinc/69/80/08/597698008.db2.gz TYLLZSCFQFMNDX-UHFFFAOYSA-N -1 0 312.370 -0.639 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000820949159 597714188 /nfs/dbraw/zinc/71/41/88/597714188.db2.gz AOTTTYRWNKBGCG-NSHDSACASA-N -1 0 309.322 -0.142 20 0 DBADRM CC(C)Cc1noc(C[S@@](=O)CC(=O)NCC(=O)[O-])n1 ZINC000819992891 597735559 /nfs/dbraw/zinc/73/55/59/597735559.db2.gz JWLFILXZEPJDBF-FQEVSTJZSA-N -1 0 303.340 -0.282 20 0 DBADRM CC(C)Cn1ncnc1C[S@@](=O)CC(=O)NCC(=O)[O-] ZINC000819992866 597737373 /nfs/dbraw/zinc/73/73/73/597737373.db2.gz GZKCXZWUFLJUPF-HXUWFJFHSA-N -1 0 302.356 -0.616 20 0 DBADRM CS(=O)(=O)c1ccc(F)c(NCC(=O)NCC(=O)[O-])c1 ZINC000820894204 597745141 /nfs/dbraw/zinc/74/51/41/597745141.db2.gz FCGSMDJVXSVPFA-UHFFFAOYSA-N -1 0 304.299 -0.158 20 0 DBADRM Nn1c(SCC(=O)NCC(=O)[O-])nnc1-c1ccccc1 ZINC000821368611 597749980 /nfs/dbraw/zinc/74/99/80/597749980.db2.gz CXXDTTHCVFVESW-UHFFFAOYSA-N -1 0 307.335 -0.048 20 0 DBADRM O=C([O-])CNC(=O)CSc1nnnn1C1CCOCC1 ZINC000821533270 597755795 /nfs/dbraw/zinc/75/57/95/597755795.db2.gz CAIXFIGSNNVQEV-UHFFFAOYSA-N -1 0 301.328 -0.683 20 0 DBADRM CN(c1ccc(OCC(=O)NCC(=O)[O-])cc1)S(C)(=O)=O ZINC000820615787 597760483 /nfs/dbraw/zinc/76/04/83/597760483.db2.gz YIFIDOPFUKZDBJ-UHFFFAOYSA-N -1 0 316.335 -0.338 20 0 DBADRM CCN(CC)C(=O)N1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000820338726 597765325 /nfs/dbraw/zinc/76/53/25/597765325.db2.gz QIVSFLRWTXLYCU-UHFFFAOYSA-N -1 0 300.359 -0.733 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000821530606 597767005 /nfs/dbraw/zinc/76/70/05/597767005.db2.gz MXAQDLVLUNTIPJ-UHFFFAOYSA-N -1 0 323.324 -0.216 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000821530346 597778545 /nfs/dbraw/zinc/77/85/45/597778545.db2.gz GEUYLIZCNAHSNZ-SNVBAGLBSA-N -1 0 307.354 -0.396 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1CN(CC(=O)NCC(=O)[O-])CCO1 ZINC000819914873 597783887 /nfs/dbraw/zinc/78/38/87/597783887.db2.gz JVPDDQDOUQTIIC-SECBINFHSA-N -1 0 302.327 -0.770 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000820554260 597796341 /nfs/dbraw/zinc/79/63/41/597796341.db2.gz KSFRTFPCJYXTLS-UWVGGRQHSA-N -1 0 306.384 -0.525 20 0 DBADRM Cc1cc(C)n2nc(C(=O)OCC(=O)NCC(=O)[O-])nc2n1 ZINC000820972472 597824050 /nfs/dbraw/zinc/82/40/50/597824050.db2.gz NVSAXLFFFLZTLP-UHFFFAOYSA-N -1 0 307.266 -0.901 20 0 DBADRM Cc1ccccc1C(=O)NCC(=O)OCC(=O)NCC(=O)[O-] ZINC000821120348 597825795 /nfs/dbraw/zinc/82/57/95/597825795.db2.gz VKMQUGDZEBUMEK-UHFFFAOYSA-N -1 0 308.290 -0.531 20 0 DBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)NCC(=O)[O-])CS2 ZINC000820214647 597829058 /nfs/dbraw/zinc/82/90/58/597829058.db2.gz AWLFVCIJANYOST-KRTXAFLBSA-N -1 0 316.335 -0.816 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)OCCCC(=O)[O-])nc2n(C)c1=O ZINC000738400998 597831904 /nfs/dbraw/zinc/83/19/04/597831904.db2.gz UFJDICVRIVKNPP-UHFFFAOYSA-N -1 0 321.289 -0.346 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(N2CCOCC2)nc1 ZINC000821532062 597832176 /nfs/dbraw/zinc/83/21/76/597832176.db2.gz NVBFOVROCAVYJF-UHFFFAOYSA-N -1 0 323.305 -0.724 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000821532603 597833349 /nfs/dbraw/zinc/83/33/49/597833349.db2.gz UBHCHVBNCLRPSV-JTQLQIEISA-N -1 0 312.322 -0.621 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cn(-c2ccccc2)nn1 ZINC000821533061 597833407 /nfs/dbraw/zinc/83/34/07/597833407.db2.gz XEGHSLKEGZYDAX-UHFFFAOYSA-N -1 0 304.262 -0.375 20 0 DBADRM Cc1c(C(=O)OCC(=O)NCC(=O)[O-])nnn1-c1ccccc1 ZINC000820939989 597837234 /nfs/dbraw/zinc/83/72/34/597837234.db2.gz AUPUPCOESCFSEN-UHFFFAOYSA-N -1 0 318.289 -0.067 20 0 DBADRM CC(C)C(=O)N1CCC[C@@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000819955125 597838977 /nfs/dbraw/zinc/83/89/77/597838977.db2.gz JTJDYJVYXGNOQR-SECBINFHSA-N -1 0 300.311 -0.623 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C/C=C(/C)C(=O)OC)c1=O ZINC000736712798 599284431 /nfs/dbraw/zinc/28/44/31/599284431.db2.gz CJNFZDWQPFUIHZ-YVMONPNESA-N -1 0 320.309 -0.671 20 0 DBADRM CCCN(C(=O)[C@H](C)N(C)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000820317094 598041873 /nfs/dbraw/zinc/04/18/73/598041873.db2.gz BLYGELZHGXPAII-WDEREUQCSA-N -1 0 320.411 -0.183 20 0 DBADRM COCCN(CC(=O)[O-])CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000820723470 598076139 /nfs/dbraw/zinc/07/61/39/598076139.db2.gz HRSCQXXYBVBIPN-GFCCVEGCSA-N -1 0 300.355 -0.343 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1C ZINC000820637788 598093708 /nfs/dbraw/zinc/09/37/08/598093708.db2.gz VGAHLEGTNFHKDL-SECBINFHSA-N -1 0 309.326 -0.124 20 0 DBADRM CN1CCN(c2ncc(CN3CCO[C@H](C(=O)[O-])C3)cn2)CC1 ZINC000820626438 598125131 /nfs/dbraw/zinc/12/51/31/598125131.db2.gz OPMSLDOYEUNDHQ-ZDUSSCGKSA-N -1 0 321.381 -0.486 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC000820637176 598162551 /nfs/dbraw/zinc/16/25/51/598162551.db2.gz FCHJPIKZFASAPM-UHFFFAOYSA-N -1 0 309.326 -0.042 20 0 DBADRM O=C([O-])CCCCNS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000070200054 598165056 /nfs/dbraw/zinc/16/50/56/598165056.db2.gz UPMCSSIOOYUWCA-UHFFFAOYSA-N -1 0 313.397 -0.262 20 0 DBADRM O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000821396145 598166281 /nfs/dbraw/zinc/16/62/81/598166281.db2.gz OGOHEVXKBBWHOX-UWVGGRQHSA-N -1 0 305.290 -0.603 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCn2ncnn2)c(F)c1 ZINC000821432255 598171046 /nfs/dbraw/zinc/17/10/46/598171046.db2.gz ZZOIWFUEVCYXIG-UHFFFAOYSA-N -1 0 322.256 -0.735 20 0 DBADRM Cn1cnnc1CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000821310714 598173347 /nfs/dbraw/zinc/17/33/47/598173347.db2.gz MIJGBEIQBUYKOI-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CCO1 ZINC000821345277 598173986 /nfs/dbraw/zinc/17/39/86/598173986.db2.gz UKAAVHGGRJXIBL-SNVBAGLBSA-N -1 0 321.289 -0.964 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCn2cnnc2C1 ZINC000821475555 598174430 /nfs/dbraw/zinc/17/44/30/598174430.db2.gz XNSLEPNLVYCTDK-UHFFFAOYSA-N -1 0 315.289 -0.043 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CC[C@@H](C(=O)[O-])C2)O1 ZINC000820524208 598180266 /nfs/dbraw/zinc/18/02/66/598180266.db2.gz JXOWZNSLFTUFIJ-VWYCJHECSA-N -1 0 313.354 -0.262 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)NCc2cccc(C(=O)[O-])c2)CCO1 ZINC000821345224 598191123 /nfs/dbraw/zinc/19/11/23/598191123.db2.gz PNLLAPYAUIRPHP-LLVKDONJSA-N -1 0 307.306 -0.220 20 0 DBADRM O=C([O-])C1CCC(NC(=O)NCC(=O)N2CCOCC2)CC1 ZINC000317314562 598194566 /nfs/dbraw/zinc/19/45/66/598194566.db2.gz DKUNHMBNJXGZCL-UHFFFAOYSA-N -1 0 313.354 -0.212 20 0 DBADRM CN(CC(=O)N1CCC[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000820554554 598208417 /nfs/dbraw/zinc/20/84/17/598208417.db2.gz VRGITDRGBTWQKB-VHSXEESVSA-N -1 0 304.368 -0.819 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000820154095 598220580 /nfs/dbraw/zinc/22/05/80/598220580.db2.gz FZPHLMORXBWGHL-KWBADKCTSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1CCC[C@@H]1Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736264150 598244888 /nfs/dbraw/zinc/24/48/88/598244888.db2.gz VIXYIISXWZLFRE-SFYZADRCSA-N -1 0 305.342 -0.135 20 0 DBADRM C[C@H]1CCC[C@H]1Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736264149 598244969 /nfs/dbraw/zinc/24/49/69/598244969.db2.gz VIXYIISXWZLFRE-JGVFFNPUSA-N -1 0 305.342 -0.135 20 0 DBADRM CO[C@H](C)CCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736958941 598352649 /nfs/dbraw/zinc/35/26/49/598352649.db2.gz YVFIQQYJXFUUFZ-SSDOTTSWSA-N -1 0 309.330 -0.899 20 0 DBADRM CCc1nn(CC(=O)NC2CC2)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736705706 598379642 /nfs/dbraw/zinc/37/96/42/598379642.db2.gz NWUKEYLOEIWHDM-UHFFFAOYSA-N -1 0 317.353 -0.173 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(CCC(=O)N(C)CC(=O)[O-])C1CC1 ZINC000736607534 600642319 /nfs/dbraw/zinc/64/23/19/600642319.db2.gz SZSCDSCAQQZDNT-SNVBAGLBSA-N -1 0 320.411 -0.183 20 0 DBADRM Cn1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000737628774 598438852 /nfs/dbraw/zinc/43/88/52/598438852.db2.gz PXCHHDAOGVZJKN-UHFFFAOYSA-N -1 0 306.311 -0.204 20 0 DBADRM CC[C@@H](C)CN(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736322131 598674792 /nfs/dbraw/zinc/67/47/92/598674792.db2.gz IHVHLSFUTNRBOO-MRVPVSSYSA-N -1 0 307.358 -0.254 20 0 DBADRM CN(CC1CCC1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736793785 598679615 /nfs/dbraw/zinc/67/96/15/598679615.db2.gz LMUVRWVUOQCIEB-UHFFFAOYSA-N -1 0 305.342 -0.500 20 0 DBADRM C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCc1nnn[n-]1 ZINC000095136324 598696996 /nfs/dbraw/zinc/69/69/96/598696996.db2.gz RUYLMNSIWKGQTG-ZETCQYMHSA-N -1 0 315.297 -0.537 20 0 DBADRM Cn1nnnc1Cn1cc(-c2nnn[n-]2)c(=O)c2ccccc21 ZINC000737626768 598720098 /nfs/dbraw/zinc/72/00/98/598720098.db2.gz KSNRDUWVXSKRFU-UHFFFAOYSA-N -1 0 309.293 -0.247 20 0 DBADRM C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(CC(=O)[O-])C1=O ZINC000820628478 607365898 /nfs/dbraw/zinc/36/58/98/607365898.db2.gz FAYZWOYUBUQLQT-CYBMUJFWSA-N -1 0 316.277 -0.282 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@]2(C)CCOC2)n(C)c1=O ZINC000737595057 598817695 /nfs/dbraw/zinc/81/76/95/598817695.db2.gz DSJGNFODZDOWIX-ZDUSSCGKSA-N -1 0 321.341 -0.897 20 0 DBADRM C[C@@H]1CC[C@H](C)N(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000820684157 599359944 /nfs/dbraw/zinc/35/99/44/599359944.db2.gz MQEMXOKXLMBZRQ-BDAKNGLRSA-N -1 0 319.369 -0.111 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2C[C@@H]3CCC[C@H]32)n(C)c1=O ZINC000737590486 599529053 /nfs/dbraw/zinc/52/90/53/599529053.db2.gz JHZAQBPCAGLIGV-JGVFFNPUSA-N -1 0 303.326 -0.747 20 0 DBADRM C[C@H]1CSCCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736293635 599535352 /nfs/dbraw/zinc/53/53/52/599535352.db2.gz RAGZFQZBTNZEBE-ZETCQYMHSA-N -1 0 323.382 -0.794 20 0 DBADRM CC[C@@H](O)CCCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820931335 599580490 /nfs/dbraw/zinc/58/04/90/599580490.db2.gz FGNKRBVZKNPPOG-MRVPVSSYSA-N -1 0 323.357 -0.773 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821164497 599626046 /nfs/dbraw/zinc/62/60/46/599626046.db2.gz FDPNLPUOGOCBAV-UHFFFAOYSA-N -1 0 324.366 -0.278 20 0 DBADRM CO[C@@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(C)C ZINC000821677004 599687179 /nfs/dbraw/zinc/68/71/79/599687179.db2.gz LZXDPDAPOISZIC-QMMMGPOBSA-N -1 0 323.357 -0.653 20 0 DBADRM CC[C@H]1C[C@@H](C)CN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820972135 599688859 /nfs/dbraw/zinc/68/88/59/599688859.db2.gz LKSMTXKKXHERPB-BDAKNGLRSA-N -1 0 319.369 -0.111 20 0 DBADRM NS(=O)(=O)c1ccc(CCNC(=O)CCNC(=O)[O-])cc1 ZINC000739190005 599706590 /nfs/dbraw/zinc/70/65/90/599706590.db2.gz PPFHTXQCGDVMNI-UHFFFAOYSA-N -1 0 315.351 -0.350 20 0 DBADRM NC(=O)CNC(=O)c1ccc(NC(=O)CCNC(=O)[O-])cc1 ZINC000739163024 599728640 /nfs/dbraw/zinc/72/86/40/599728640.db2.gz KRPBJVSSXHVWGZ-UHFFFAOYSA-N -1 0 308.294 -0.502 20 0 DBADRM CCOC(=O)CN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000049608138 599729368 /nfs/dbraw/zinc/72/93/68/599729368.db2.gz YQTORRZQFSLUDR-UHFFFAOYSA-N -1 0 308.356 -0.477 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000736325334 599729589 /nfs/dbraw/zinc/72/95/89/599729589.db2.gz JRWOFOTXOWNXPB-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCCN(C)C(=O)[O-] ZINC000737589812 599731938 /nfs/dbraw/zinc/73/19/38/599731938.db2.gz DFBIJWSJCRVYLY-SECBINFHSA-N -1 0 315.326 -0.734 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000738249581 599736144 /nfs/dbraw/zinc/73/61/44/599736144.db2.gz WIRADFVXEQMIRP-VIFPVBQESA-N -1 0 304.306 -0.193 20 0 DBADRM CN(CCCC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000737420846 599741007 /nfs/dbraw/zinc/74/10/07/599741007.db2.gz AOLIYQJRIIRXPA-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM Cc1ccc(N2C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])CC2=O)cc1 ZINC000170581053 599743224 /nfs/dbraw/zinc/74/32/24/599743224.db2.gz BIWADVFDADPBOD-PWSUYJOCSA-N -1 0 306.318 -0.090 20 0 DBADRM CS(=O)(=O)Nc1cccc(C(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000738163385 599743704 /nfs/dbraw/zinc/74/37/04/599743704.db2.gz BXFBVGZDDJHNDF-VIFPVBQESA-N -1 0 302.308 -0.767 20 0 DBADRM CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000037430031 599744241 /nfs/dbraw/zinc/74/42/41/599744241.db2.gz KAQYDWCBTKTCDM-SNVBAGLBSA-N -1 0 316.335 -0.840 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000739358966 599745753 /nfs/dbraw/zinc/74/57/53/599745753.db2.gz ZBCNVCNXAOXEQB-SECBINFHSA-N -1 0 307.262 -0.935 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)CCCNC(=O)[O-])CC1 ZINC000736133677 599746464 /nfs/dbraw/zinc/74/64/64/599746464.db2.gz BESPMBKXYYGOIO-UHFFFAOYSA-N -1 0 300.359 -0.686 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)CCCN(C)C(=O)[O-] ZINC000737223247 599746799 /nfs/dbraw/zinc/74/67/99/599746799.db2.gz ZGYMWYLHCDROMH-UHFFFAOYSA-N -1 0 309.388 -0.178 20 0 DBADRM O=C([O-])NCCC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000739938347 599748129 /nfs/dbraw/zinc/74/81/29/599748129.db2.gz QEUODPCGUCZIMG-UHFFFAOYSA-N -1 0 322.369 -0.628 20 0 DBADRM COCCCN(C(=O)CCNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737760300 599750598 /nfs/dbraw/zinc/75/05/98/599750598.db2.gz RCKMOXTZQDKNQD-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)C(=O)c1c(C)nn(C)c1C ZINC000737603514 599750831 /nfs/dbraw/zinc/75/08/31/599750831.db2.gz DTUAWELMYNQSMF-UHFFFAOYSA-N -1 0 311.294 -0.694 20 0 DBADRM CC(C)[C@@H](C(=O)O[C@H](C)C(=O)NCC(=O)[O-])N1CCCC1=O ZINC000736686500 599750832 /nfs/dbraw/zinc/75/08/32/599750832.db2.gz SQRNIOYEAOFQDM-SKDRFNHKSA-N -1 0 314.338 -0.234 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)NC(=O)NC(C)(C)C ZINC000737616065 599756426 /nfs/dbraw/zinc/75/64/26/599756426.db2.gz SDMJRKKMVBOCJV-UHFFFAOYSA-N -1 0 303.315 -0.830 20 0 DBADRM C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])o1)N1CCOCC1 ZINC000736607649 599769932 /nfs/dbraw/zinc/76/99/32/599769932.db2.gz YKPLZEHDFKXWSU-SECBINFHSA-N -1 0 318.351 -0.023 20 0 DBADRM CCS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000233831689 599777897 /nfs/dbraw/zinc/77/78/97/599777897.db2.gz DUCRUHUOEDMGNX-UHFFFAOYSA-N -1 0 311.337 -0.309 20 0 DBADRM O=C([O-])c1ccccc1C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000740306618 599789440 /nfs/dbraw/zinc/78/94/40/599789440.db2.gz ZVQFXBSYTGPUAX-UHFFFAOYSA-N -1 0 306.274 -0.500 20 0 DBADRM O=C([O-])CCCCNC(=O)NCCN1CCCS1(=O)=O ZINC000405831923 599791905 /nfs/dbraw/zinc/79/19/05/599791905.db2.gz MEVSFZUFBDRYCZ-UHFFFAOYSA-N -1 0 307.372 -0.424 20 0 DBADRM NS(=O)(=O)c1ccc(OCCC(=O)NCC(=O)[O-])cc1 ZINC000739196966 599826629 /nfs/dbraw/zinc/82/66/29/599826629.db2.gz AMTRWNWREMCPBM-UHFFFAOYSA-N -1 0 302.308 -0.696 20 0 DBADRM C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)NCCC(=O)[O-])C1=O ZINC000736748651 599832110 /nfs/dbraw/zinc/83/21/10/599832110.db2.gz YJGZOQBACMVEBL-AWEZNQCLSA-N -1 0 320.305 -0.561 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736821364 599833697 /nfs/dbraw/zinc/83/36/97/599833697.db2.gz LJWSUXSELYEEFV-GHMZBOCLSA-N -1 0 301.343 -0.798 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000736134821 599842867 /nfs/dbraw/zinc/84/28/67/599842867.db2.gz PWZDUXRPXMZHTO-GFCCVEGCSA-N -1 0 314.386 -0.441 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000737222750 599846914 /nfs/dbraw/zinc/84/69/14/599846914.db2.gz HTXVHPMFKRGBBC-SNVBAGLBSA-N -1 0 321.399 -0.228 20 0 DBADRM O=C([O-])CSCCC(=O)NCCCN1C(=O)CNC1=O ZINC000739846168 599852202 /nfs/dbraw/zinc/85/22/02/599852202.db2.gz PCTFMVLGFUAUPO-UHFFFAOYSA-N -1 0 303.340 -0.748 20 0 DBADRM CN1C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)CC1=O ZINC000382421775 599855518 /nfs/dbraw/zinc/85/55/18/599855518.db2.gz IYHGZQSPVNEDKH-ZCFIWIBFSA-N -1 0 304.349 -0.045 20 0 DBADRM CNS(=O)(=O)c1ccc(NS(=O)(=O)CCC(=O)[O-])cc1 ZINC000037047841 599874417 /nfs/dbraw/zinc/87/44/17/599874417.db2.gz SOJMTWLHBYFMCT-UHFFFAOYSA-N -1 0 322.364 -0.189 20 0 DBADRM O=C([O-])CSCCNC(=O)CCCN1C(=O)CNC1=O ZINC000739859032 599892177 /nfs/dbraw/zinc/89/21/77/599892177.db2.gz ATJQHGOZCUIBJH-UHFFFAOYSA-N -1 0 303.340 -0.748 20 0 DBADRM O=C([O-])CSCCNC(=O)NCC(=O)NCC(F)(F)F ZINC000393670222 599898884 /nfs/dbraw/zinc/89/88/84/599898884.db2.gz FLJPKRPFNCLXAR-UHFFFAOYSA-N -1 0 317.289 -0.218 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)CCCC(=O)[O-] ZINC000736147450 599900075 /nfs/dbraw/zinc/90/00/75/599900075.db2.gz ASRLNCOWQYDHOT-NSHDSACASA-N -1 0 313.354 -0.563 20 0 DBADRM COc1ncnc(OC)c1C(=O)OCC(=O)NCCC(=O)[O-] ZINC000738150351 599903896 /nfs/dbraw/zinc/90/38/96/599903896.db2.gz PDHQPZOAZZPBJQ-UHFFFAOYSA-N -1 0 313.266 -0.759 20 0 DBADRM CCOCCN1CCN([C@@H](C)C(=O)NCC(=O)[O-])C[C@@H]1C ZINC000737177687 599916288 /nfs/dbraw/zinc/91/62/88/599916288.db2.gz ZYPSKLANVWKXAZ-RYUDHWBXSA-N -1 0 301.387 -0.382 20 0 DBADRM C[C@@H](CN(C(=O)CN1CCS(=O)(=O)CC1)C1CC1)C(=O)[O-] ZINC000736561253 599917124 /nfs/dbraw/zinc/91/71/24/599917124.db2.gz AFKSAHLUOPGDNH-JTQLQIEISA-N -1 0 318.395 -0.572 20 0 DBADRM CCN(CC(=O)[O-])C(=O)COCC(=O)NCc1cccnc1 ZINC000737069972 599918278 /nfs/dbraw/zinc/91/82/78/599918278.db2.gz FKHLFPIRUUFKJY-UHFFFAOYSA-N -1 0 309.322 -0.353 20 0 DBADRM Cc1cnn(C[C@@H]2CN([C@H](C)C(=O)NCC(=O)[O-])CCO2)c1 ZINC000738812883 599920241 /nfs/dbraw/zinc/92/02/41/599920241.db2.gz XIJFILYXBXQADJ-NEPJUHHUSA-N -1 0 310.354 -0.518 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(C[C@@H](C)O)CC1)C(=O)[O-] ZINC000736886023 599921377 /nfs/dbraw/zinc/92/13/77/599921377.db2.gz OLXMZTVMSQFUIQ-SCRDCRAPSA-N -1 0 315.414 -0.400 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000739808265 599921661 /nfs/dbraw/zinc/92/16/61/599921661.db2.gz CFDUZXUGIIEZNZ-CQSZACIVSA-N -1 0 321.377 -0.462 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C[C@@H]1CN(C)CCO1 ZINC000737530791 599924830 /nfs/dbraw/zinc/92/48/30/599924830.db2.gz WWKHIMCZFMOFGK-ZDUSSCGKSA-N -1 0 313.398 -0.428 20 0 DBADRM Cc1sc(=O)n(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1C ZINC000738398946 599938701 /nfs/dbraw/zinc/93/87/01/599938701.db2.gz YTJYCRZOQKTMMC-SECBINFHSA-N -1 0 300.336 -0.161 20 0 DBADRM C[C@@H](Cn1cncn1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000736629842 599938922 /nfs/dbraw/zinc/93/89/22/599938922.db2.gz PLFOVRHFJLFMFU-VIFPVBQESA-N -1 0 317.371 -0.702 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)CN2CCCNC(=O)C2)n1 ZINC000738632792 599939146 /nfs/dbraw/zinc/93/91/46/599939146.db2.gz ZABOZURICDTULP-UHFFFAOYSA-N -1 0 312.351 -0.469 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000736713580 599940937 /nfs/dbraw/zinc/94/09/37/599940937.db2.gz CDLTZBZFDGBSDB-SFYZADRCSA-N -1 0 300.340 -0.392 20 0 DBADRM CN(CC(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ncnc2nc[nH]c21 ZINC000737389496 599941156 /nfs/dbraw/zinc/94/11/56/599941156.db2.gz OEKGOLFGALUCQP-MRVPVSSYSA-N -1 0 320.309 -0.899 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCO1 ZINC000261839253 599941808 /nfs/dbraw/zinc/94/18/08/599941808.db2.gz CGSLDQFMPUHWLM-SFYZADRCSA-N -1 0 324.255 -0.291 20 0 DBADRM NC(=O)COc1ccccc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262952434 599944605 /nfs/dbraw/zinc/94/46/05/599944605.db2.gz IYHUNWYEJWIIOR-NSHDSACASA-N -1 0 308.290 -0.524 20 0 DBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738394798 599945412 /nfs/dbraw/zinc/94/54/12/599945412.db2.gz IIQWPRHEUKZMPV-MRVPVSSYSA-N -1 0 321.289 -0.239 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000387144410 599946419 /nfs/dbraw/zinc/94/64/19/599946419.db2.gz MXOSRPDHAKSPHY-LLVKDONJSA-N -1 0 307.306 -0.220 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2C(=O)NC(C3CC3)(C3CC3)C2=O)CCO1 ZINC000738549625 599955756 /nfs/dbraw/zinc/95/57/56/599955756.db2.gz WITICLOWVNSLPF-NSHDSACASA-N -1 0 323.349 -0.160 20 0 DBADRM O=C([O-])[C@H]1CN(CN2C(=O)NC(C3CC3)(C3CC3)C2=O)CCO1 ZINC000738549620 599955770 /nfs/dbraw/zinc/95/57/70/599955770.db2.gz WITICLOWVNSLPF-LLVKDONJSA-N -1 0 323.349 -0.160 20 0 DBADRM NC(=O)[C@@H]1Cc2ccccc2N(CC(=O)NCCC(=O)[O-])C1 ZINC000739160872 599963911 /nfs/dbraw/zinc/96/39/11/599963911.db2.gz PURPLOKQCRILEK-LLVKDONJSA-N -1 0 305.334 -0.259 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC000737122253 599964103 /nfs/dbraw/zinc/96/41/03/599964103.db2.gz VQLQPVRPPSEDPZ-UHFFFAOYSA-N -1 0 317.411 -0.525 20 0 DBADRM O=C([O-])[C@@H]1CN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CCO1 ZINC000739615783 599967428 /nfs/dbraw/zinc/96/74/28/599967428.db2.gz NTZCMKUNMYLJCM-AGIUHOORSA-N -1 0 312.366 -0.058 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CN2CCO[C@H](C(=O)[O-])C2)o1 ZINC000737376228 599968310 /nfs/dbraw/zinc/96/83/10/599968310.db2.gz PQZPEANLHCKPHJ-JTQLQIEISA-N -1 0 318.351 -0.185 20 0 DBADRM O=C([O-])[C@@H]1CN(CCc2nnnn2-c2ccccc2)CCO1 ZINC000738549096 599968990 /nfs/dbraw/zinc/96/89/90/599968990.db2.gz PVJKXUYWFIAGHO-LBPRGKRZSA-N -1 0 303.322 -0.010 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000739554979 599973548 /nfs/dbraw/zinc/97/35/48/599973548.db2.gz WYXCJCNINFWRKY-GHMZBOCLSA-N -1 0 308.338 -0.126 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCO[C@H](C(=O)OC)C1)C(=O)[O-] ZINC000736883642 599974761 /nfs/dbraw/zinc/97/47/61/599974761.db2.gz KFFAOAWFYWJHOD-JBLDHEPKSA-N -1 0 316.354 -0.524 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000737576721 599975309 /nfs/dbraw/zinc/97/53/09/599975309.db2.gz VAMBIJFVRROZHS-WDEREUQCSA-N -1 0 316.354 -0.524 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1CC(=O)N1CCc2ccccc21 ZINC000321973951 599982989 /nfs/dbraw/zinc/98/29/89/599982989.db2.gz IEPDPVKLFJUGHJ-ZDUSSCGKSA-N -1 0 317.345 -0.149 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1Cl ZINC000738409680 599984417 /nfs/dbraw/zinc/98/44/17/599984417.db2.gz CGEVQXANKOLUEI-LURJTMIESA-N -1 0 309.731 -0.452 20 0 DBADRM O=C([O-])c1ccc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)nc1 ZINC000740303922 599987762 /nfs/dbraw/zinc/98/77/62/599987762.db2.gz OESLCLSCUMYGED-SNVBAGLBSA-N -1 0 303.274 -0.201 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CNC(=O)Nc1ccccc1 ZINC000737605423 600007796 /nfs/dbraw/zinc/00/77/96/600007796.db2.gz LODRLKPQKYYCNF-UHFFFAOYSA-N -1 0 323.305 -0.106 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccnc(-n2cncn2)c1 ZINC000737611680 600008004 /nfs/dbraw/zinc/00/80/04/600008004.db2.gz DCUJEHKPNKQCFF-UHFFFAOYSA-N -1 0 319.277 -0.638 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(-n2cnnc2)cc1 ZINC000737608745 600009237 /nfs/dbraw/zinc/00/92/37/600009237.db2.gz LFHKCTULMXBJBB-UHFFFAOYSA-N -1 0 318.289 -0.033 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC000737603708 600009683 /nfs/dbraw/zinc/00/96/83/600009683.db2.gz LOWJZVQJHPCPRQ-SNVBAGLBSA-N -1 0 300.311 -0.669 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CSc1cccc[n+]1[O-] ZINC000737606245 600010431 /nfs/dbraw/zinc/01/04/31/600010431.db2.gz UZILHYVMHDRYOJ-UHFFFAOYSA-N -1 0 314.319 -0.502 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)nn1 ZINC000737350146 600019103 /nfs/dbraw/zinc/01/91/03/600019103.db2.gz UPERHPWLTYQLFD-SECBINFHSA-N -1 0 309.326 -0.697 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCCN2CCCCC2=O)CCO1 ZINC000738546675 600024270 /nfs/dbraw/zinc/02/42/70/600024270.db2.gz LVAGTJMZOOWDLG-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM COc1cc2c(cc1OC)S(=O)(=O)N(CC(=O)[O-])C2=O ZINC000737906359 600025983 /nfs/dbraw/zinc/02/59/83/600025983.db2.gz BRZJLYIYFZBHCK-UHFFFAOYSA-N -1 0 301.276 -0.067 20 0 DBADRM CC(C)(CNC(=O)N1CCO[C@@H](C(=O)[O-])C1)N1CCOCC1 ZINC000736321372 600032331 /nfs/dbraw/zinc/03/23/31/600032331.db2.gz AENHDZBLGXMQTQ-LLVKDONJSA-N -1 0 315.370 -0.408 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CC(=O)N1CCCC1)c2=O ZINC000739921967 600033054 /nfs/dbraw/zinc/03/30/54/600033054.db2.gz ZRKWMTPLVKHNRN-UHFFFAOYSA-N -1 0 305.294 -0.700 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCNC(=O)c2cccnc2)CCO1 ZINC000738499708 600035223 /nfs/dbraw/zinc/03/52/23/600035223.db2.gz HOMKLVXEWXLDLR-LLVKDONJSA-N -1 0 322.321 -0.694 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000043706991 600035292 /nfs/dbraw/zinc/03/52/92/600035292.db2.gz NQEZSAMBWHNTDN-GHMZBOCLSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000043706988 600035389 /nfs/dbraw/zinc/03/53/89/600035389.db2.gz NQEZSAMBWHNTDN-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000045013947 600036852 /nfs/dbraw/zinc/03/68/52/600036852.db2.gz JFOBJGOVUOLMPI-VHSXEESVSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@H]1CN(CCNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC000736805960 600040229 /nfs/dbraw/zinc/04/02/29/600040229.db2.gz AJQDQPALLNRIGI-WDEREUQCSA-N -1 0 301.343 -0.798 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCCN2CCOC2=O)CCO1 ZINC000738546849 600041049 /nfs/dbraw/zinc/04/10/49/600041049.db2.gz QYEPZIOYRBKQDA-SECBINFHSA-N -1 0 301.299 -0.676 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)CC2 ZINC000738368373 600041064 /nfs/dbraw/zinc/04/10/64/600041064.db2.gz UQBFRVSNDTYDJV-ZJUUUORDSA-N -1 0 309.326 -0.604 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1cc(=O)n2ccccc2n1 ZINC000391366149 600042168 /nfs/dbraw/zinc/04/21/68/600042168.db2.gz NEPIZSHVRSHYPP-LLVKDONJSA-N -1 0 316.317 -0.530 20 0 DBADRM Cc1ccccc1CNC(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000738772043 600042678 /nfs/dbraw/zinc/04/26/78/600042678.db2.gz GYUMCHVJBOBBND-ZDUSSCGKSA-N -1 0 319.361 -0.114 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CN1CCNC(=O)C1 ZINC000740307723 600046687 /nfs/dbraw/zinc/04/66/87/600046687.db2.gz UPTUARWDIPJMHX-GFCCVEGCSA-N -1 0 305.334 -0.770 20 0 DBADRM NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000042477509 600058141 /nfs/dbraw/zinc/05/81/41/600058141.db2.gz RRIRXHAIBWDPMM-MNOVXSKESA-N -1 0 312.347 -0.287 20 0 DBADRM C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(C[C@H](F)C(=O)[O-])C1=O ZINC000736739196 600059054 /nfs/dbraw/zinc/05/90/54/600059054.db2.gz YROAPHRMRWRBSV-XPTSAGLGSA-N -1 0 323.280 -0.025 20 0 DBADRM Cn1c(=O)c2cc(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])cnc2n(C)c1=O ZINC000739006585 600064292 /nfs/dbraw/zinc/06/42/92/600064292.db2.gz UJRNDEQJBILBIE-YUMQZZPRSA-N -1 0 318.289 -0.709 20 0 DBADRM NC(=O)CNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000739163886 600071676 /nfs/dbraw/zinc/07/16/76/600071676.db2.gz WDDMFUQUSYMXIM-UWVGGRQHSA-N -1 0 305.290 -0.439 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)C[C@H]1CCCCO1 ZINC000737573024 600081742 /nfs/dbraw/zinc/08/17/42/600081742.db2.gz IIQOQVGFBQCAPV-RKDXNWHRSA-N -1 0 309.340 -0.509 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)C[C@H]1CCCCO1 ZINC000737617209 600083548 /nfs/dbraw/zinc/08/35/48/600083548.db2.gz BEZFJPCWLWZIHA-SECBINFHSA-N -1 0 309.340 -0.555 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000739545181 600085595 /nfs/dbraw/zinc/08/55/95/600085595.db2.gz QUXKQXDRXKVXBS-QJPTWQEYSA-N -1 0 310.350 -0.053 20 0 DBADRM CN(C)C(=O)CN1CCC(NC(=O)NCCCC(=O)[O-])CC1 ZINC000737350929 600097358 /nfs/dbraw/zinc/09/73/58/600097358.db2.gz XARKUQODAVCUDP-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@@H](C(=O)[O-])C1)NS(C)(=O)=O ZINC000111774547 600097950 /nfs/dbraw/zinc/09/79/50/600097950.db2.gz XVMDERVOTXPXQE-MRVPVSSYSA-N -1 0 307.372 -0.570 20 0 DBADRM CC[C@H]1C(=O)NCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000110687136 600098356 /nfs/dbraw/zinc/09/83/56/600098356.db2.gz OJNKKWZNIMQQOY-JTQLQIEISA-N -1 0 319.383 -0.762 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCOC[C@H]2CCOC2)CCO1 ZINC000738546977 600098645 /nfs/dbraw/zinc/09/86/45/600098645.db2.gz VQIAGHFCJDENAU-WDEREUQCSA-N -1 0 302.327 -0.466 20 0 DBADRM CNC(=O)[C@H]1CN(CC(=O)NCCC(=O)[O-])c2ccccc2O1 ZINC000737538885 600104221 /nfs/dbraw/zinc/10/42/21/600104221.db2.gz NICZYOXSYXDNGF-GFCCVEGCSA-N -1 0 321.333 -0.409 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000736138852 600105603 /nfs/dbraw/zinc/10/56/03/600105603.db2.gz MFXLZQRMLBCYCN-XPUUQOCRSA-N -1 0 304.324 -0.960 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC000037834972 600110265 /nfs/dbraw/zinc/11/02/65/600110265.db2.gz JDCVHLSFEBZKLT-GUBZILKMSA-N -1 0 304.368 -0.505 20 0 DBADRM NC(=O)c1cccnc1N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000739184148 600116781 /nfs/dbraw/zinc/11/67/81/600116781.db2.gz MZTCYNJDNJETIR-MNOVXSKESA-N -1 0 318.333 -0.450 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)CN2CCC(=O)NC2=O)cc1 ZINC000739273064 600126898 /nfs/dbraw/zinc/12/68/98/600126898.db2.gz JHMHRTCAGYGPIT-UHFFFAOYSA-N -1 0 319.317 -0.015 20 0 DBADRM NC(=O)c1ccccc1NC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000318731614 600138657 /nfs/dbraw/zinc/13/86/57/600138657.db2.gz GTNUQJFMSFNZCJ-KCJUWKMLSA-N -1 0 307.306 -0.756 20 0 DBADRM COc1ccccc1CNC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000318388926 600140134 /nfs/dbraw/zinc/14/01/34/600140134.db2.gz DGXZJTDWBQEMGR-NEPJUHHUSA-N -1 0 308.334 -0.169 20 0 DBADRM COC(=O)c1ccccc1NC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000737713659 600140366 /nfs/dbraw/zinc/14/03/66/600140366.db2.gz TZTFWOWJKWXQLJ-SKDRFNHKSA-N -1 0 322.317 -0.069 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000737714349 600140584 /nfs/dbraw/zinc/14/05/84/600140584.db2.gz SLQZLSFXKQYGLO-NEPJUHHUSA-N -1 0 322.317 -0.069 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)C(C)(C)NC(=O)[O-] ZINC000736262495 600155260 /nfs/dbraw/zinc/15/52/60/600155260.db2.gz IXZNZZXRNDGJAJ-UHFFFAOYSA-N -1 0 309.388 -0.133 20 0 DBADRM CN(C(=O)Cn1cnc2c(cnn2C)c1=O)C(C)(C)C(=O)[O-] ZINC000362344984 600165682 /nfs/dbraw/zinc/16/56/82/600165682.db2.gz BXDHQGHDPPQLAF-UHFFFAOYSA-N -1 0 307.310 -0.548 20 0 DBADRM O=C([O-])C[C@H](NC(=O)CN1CC(=O)NC1=O)c1cccs1 ZINC000739625859 600165968 /nfs/dbraw/zinc/16/59/68/600165968.db2.gz BENKMJUZLDHSIY-ZETCQYMHSA-N -1 0 311.319 -0.068 20 0 DBADRM COc1ccc(CNC(=O)CN2CC(=O)NC2=O)cc1C(=O)[O-] ZINC000738002770 600165970 /nfs/dbraw/zinc/16/59/70/600165970.db2.gz YRGBBXFIIFUUID-UHFFFAOYSA-N -1 0 321.289 -0.439 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000739554179 600168726 /nfs/dbraw/zinc/16/87/26/600168726.db2.gz BDMPSERLOIYIQI-GHMZBOCLSA-N -1 0 324.333 -0.669 20 0 DBADRM C[C@H](OC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000736684237 600170325 /nfs/dbraw/zinc/17/03/25/600170325.db2.gz KXIBFCTVJQKXEQ-AATLWQCWSA-N -1 0 312.322 -0.637 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000737748350 600175803 /nfs/dbraw/zinc/17/58/03/600175803.db2.gz NERBDBBRLXECAE-XLPZGREQSA-N -1 0 302.283 -0.889 20 0 DBADRM NC(=O)NCCC(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000739166172 600179776 /nfs/dbraw/zinc/17/97/76/600179776.db2.gz FOEVXCFYNWKFMM-JTQLQIEISA-N -1 0 309.322 -0.190 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000736449582 600181789 /nfs/dbraw/zinc/18/17/89/600181789.db2.gz OVVBCILQPMNZQD-UHFFFAOYSA-N -1 0 318.355 -0.169 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=S)NCCCC(=O)[O-])CC1 ZINC000737552645 600188146 /nfs/dbraw/zinc/18/81/46/600188146.db2.gz OLLKSXVIOXCUMM-UHFFFAOYSA-N -1 0 323.440 -0.261 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000739539855 600193127 /nfs/dbraw/zinc/19/31/27/600193127.db2.gz XBWRFVBVZXAPPF-VHSXEESVSA-N -1 0 316.321 -0.506 20 0 DBADRM CN(C(=O)CN1CC(=O)NC1=O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737324299 600193939 /nfs/dbraw/zinc/19/39/39/600193939.db2.gz NTNYLRVQNXYRTC-GFCCVEGCSA-N -1 0 305.290 -0.178 20 0 DBADRM C[C@H](OC(=O)CCNC(=O)[O-])C(=O)Nc1ncnc2[nH]cnc21 ZINC000736689267 600203424 /nfs/dbraw/zinc/20/34/24/600203424.db2.gz QDAUJCZAJZXDMV-LURJTMIESA-N -1 0 322.281 -0.119 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000737507330 600214320 /nfs/dbraw/zinc/21/43/20/600214320.db2.gz KNMLVCQLPMCWRQ-UHFFFAOYSA-N -1 0 320.257 -0.151 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)OCc2cc(C(=O)[O-])co2)C1=O ZINC000737510375 600215615 /nfs/dbraw/zinc/21/56/15/600215615.db2.gz XAKQZKCAGLJDKP-UHFFFAOYSA-N -1 0 310.218 -0.558 20 0 DBADRM C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)NCC(=O)[O-] ZINC000736689223 600216157 /nfs/dbraw/zinc/21/61/57/600216157.db2.gz JEOMIRDHEQJAOT-ZCFIWIBFSA-N -1 0 319.291 -0.571 20 0 DBADRM CN(C1CC1)S(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737383250 600233466 /nfs/dbraw/zinc/23/34/66/600233466.db2.gz AHZCFRQZOITVFI-UHFFFAOYSA-N -1 0 321.399 -0.956 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)NCCSCC(=O)[O-])C1 ZINC000389456389 600233637 /nfs/dbraw/zinc/23/36/37/600233637.db2.gz AIZHFQVASNPTGS-JTQLQIEISA-N -1 0 305.400 -0.176 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@](C)(C(=O)[O-])C2CC2)cc1C(N)=O ZINC000037463694 600239462 /nfs/dbraw/zinc/23/94/62/600239462.db2.gz BQWBYJBGDBSDMR-LBPRGKRZSA-N -1 0 315.351 -0.344 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc2nnc(C)n2c1)C(=O)[O-] ZINC000737591965 600243425 /nfs/dbraw/zinc/24/34/25/600243425.db2.gz OIMQGBXOKNCJKL-VIFPVBQESA-N -1 0 306.278 -0.216 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CNC(=O)CC1CCCC1)C(=O)[O-] ZINC000737599685 600246465 /nfs/dbraw/zinc/24/64/65/600246465.db2.gz XHBCHNYUEJJFSB-SNVBAGLBSA-N -1 0 314.338 -0.185 20 0 DBADRM Cn1cc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)c(=O)n(C)c1=O ZINC000739025815 600250771 /nfs/dbraw/zinc/25/07/71/600250771.db2.gz LLSUHQCDXFSBML-SECBINFHSA-N -1 0 323.330 -0.299 20 0 DBADRM O=C([O-])CCSCCNC(=O)CN1CCCS1(=O)=O ZINC000739745863 600255476 /nfs/dbraw/zinc/25/54/76/600255476.db2.gz VAEJYNQIRGEXED-UHFFFAOYSA-N -1 0 310.397 -0.654 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CCCn1ccccc1=O ZINC000739632907 600255838 /nfs/dbraw/zinc/25/58/38/600255838.db2.gz BQSXSVZJNMCSMF-LLVKDONJSA-N -1 0 321.333 -0.570 20 0 DBADRM Cn1cc(C(=O)N2CCC(CC(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000738403797 600256177 /nfs/dbraw/zinc/25/61/77/600256177.db2.gz NGCKIWJZJYQFIY-UHFFFAOYSA-N -1 0 309.322 -0.589 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CNC(=O)C1CCCCC1 ZINC000737605372 600256691 /nfs/dbraw/zinc/25/66/91/600256691.db2.gz KQEOJEKPGFOAGP-UHFFFAOYSA-N -1 0 314.338 -0.231 20 0 DBADRM Cc1[nH]c(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c(C)c1C(=O)[O-] ZINC000738162153 600259232 /nfs/dbraw/zinc/25/92/32/600259232.db2.gz UBHHQDOWPJSXNQ-CQSZACIVSA-N -1 0 320.305 -0.246 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000740317660 600259545 /nfs/dbraw/zinc/25/95/45/600259545.db2.gz WOKQIYMAESGDEF-AWEZNQCLSA-N -1 0 303.274 -0.191 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@H]1CCCOC1 ZINC000739785137 600261958 /nfs/dbraw/zinc/26/19/58/600261958.db2.gz MBMRRTYWYMAMAO-GFCCVEGCSA-N -1 0 300.355 -0.342 20 0 DBADRM Cc1nccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])n1 ZINC000738888590 600262909 /nfs/dbraw/zinc/26/29/09/600262909.db2.gz NJWTWEXPMWGZFM-UHFFFAOYSA-N -1 0 308.338 -0.356 20 0 DBADRM Cn1cc(C(=O)OCc2ccoc2C(=O)[O-])c(=O)n(C)c1=O ZINC000739027914 600267685 /nfs/dbraw/zinc/26/76/85/600267685.db2.gz SUFKXNSBISUWDD-UHFFFAOYSA-N -1 0 308.246 -0.268 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000739635989 600286832 /nfs/dbraw/zinc/28/68/32/600286832.db2.gz XUPKGZAEZLQXBZ-HTQZYQBOSA-N -1 0 323.271 -0.575 20 0 DBADRM NC(=O)CCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000739157168 600305239 /nfs/dbraw/zinc/30/52/39/600305239.db2.gz JOUGXEDWKDPZEI-UHFFFAOYSA-N -1 0 311.269 -0.156 20 0 DBADRM CCN(CC)C(=O)CN(CCN1CCOCC1)CC(=O)[O-] ZINC000737080235 600316219 /nfs/dbraw/zinc/31/62/19/600316219.db2.gz WRMKJHWYRZRMHM-UHFFFAOYSA-N -1 0 301.387 -0.426 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)Cc1cc(C)on1)C(=O)[O-] ZINC000071337469 600320734 /nfs/dbraw/zinc/32/07/34/600320734.db2.gz RYTNUAVZFVWECP-QMMMGPOBSA-N -1 0 306.296 -0.581 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCOCCO)cccc1C(=O)[O-] ZINC000738300662 600330076 /nfs/dbraw/zinc/33/00/76/600330076.db2.gz AOYBBROXUYABDO-UHFFFAOYSA-N -1 0 310.306 -0.243 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000738589333 600334825 /nfs/dbraw/zinc/33/48/25/600334825.db2.gz XMNZENYEHVXMNI-UHFFFAOYSA-N -1 0 317.305 -0.144 20 0 DBADRM NC(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1Cl ZINC000738443329 600334956 /nfs/dbraw/zinc/33/49/56/600334956.db2.gz OLYLZQMETVAPGL-UHFFFAOYSA-N -1 0 313.697 -0.032 20 0 DBADRM CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NCCC(=O)[O-])c1 ZINC000737546913 600335441 /nfs/dbraw/zinc/33/54/41/600335441.db2.gz NHGKROSHVUTWSN-UHFFFAOYSA-N -1 0 323.305 -0.416 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)c1C(=O)[O-] ZINC000070197596 600338968 /nfs/dbraw/zinc/33/89/68/600338968.db2.gz KQIWMMWRDCCSMW-SSDOTTSWSA-N -1 0 316.339 -0.698 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N(C)CCCC(=O)[O-] ZINC000737650096 600340272 /nfs/dbraw/zinc/34/02/72/600340272.db2.gz LDQQJCRXQNRBCC-UHFFFAOYSA-N -1 0 319.339 -0.010 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCN(C3CC3)CC2)c1C(=O)[O-] ZINC000070446556 600340783 /nfs/dbraw/zinc/34/07/83/600340783.db2.gz NMEXOXKPRPDMCX-UHFFFAOYSA-N -1 0 314.367 -0.115 20 0 DBADRM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000070446666 600342500 /nfs/dbraw/zinc/34/25/00/600342500.db2.gz ULQWJDPKCDXLPW-SSDOTTSWSA-N -1 0 316.339 -0.685 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCCn2cncn2)c1 ZINC000739433122 600348392 /nfs/dbraw/zinc/34/83/92/600348392.db2.gz VOYZXEVYIRQLPY-UHFFFAOYSA-N -1 0 303.278 -0.269 20 0 DBADRM COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000737732980 600348939 /nfs/dbraw/zinc/34/89/39/600348939.db2.gz LFURSRXRILHCSH-HNNXBMFYSA-N -1 0 324.333 -0.234 20 0 DBADRM CCS(=O)(=O)NCCCNS(=O)(=O)CCCC(=O)[O-] ZINC000737223132 600402524 /nfs/dbraw/zinc/40/25/24/600402524.db2.gz WXVOSIRSIUJXQZ-UHFFFAOYSA-N -1 0 316.401 -0.900 20 0 DBADRM O=C([O-])C[C@H]1NC(=O)N(CCCOC[C@@H]2CCCO2)C1=O ZINC000739656819 600362172 /nfs/dbraw/zinc/36/21/72/600362172.db2.gz RUDLAURRCSEWSL-VHSXEESVSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])c1cccc(OCCOC(=O)CN2CC(=O)NC2=O)c1 ZINC000740307561 600368801 /nfs/dbraw/zinc/36/88/01/600368801.db2.gz RQNDMRBMWLBEGH-UHFFFAOYSA-N -1 0 322.273 -0.141 20 0 DBADRM O=C(COC(=O)[C@@H]1CNC(=O)N1)Nc1cccc(C(=O)[O-])c1 ZINC000739321283 600369767 /nfs/dbraw/zinc/36/97/67/600369767.db2.gz OVKYVPXPCVOGRM-VIFPVBQESA-N -1 0 307.262 -0.452 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000737550993 600371930 /nfs/dbraw/zinc/37/19/30/600371930.db2.gz CNDYVPUZYINNNU-NSCUHMNNSA-N -1 0 321.289 -0.802 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cnn2ccc(C)nc12)C(=O)[O-] ZINC000737589240 600413260 /nfs/dbraw/zinc/41/32/60/600413260.db2.gz BWHGXKGPTFIIJZ-VIFPVBQESA-N -1 0 306.278 -0.216 20 0 DBADRM Cc1ccn2ncc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])c2n1 ZINC000738789484 600413632 /nfs/dbraw/zinc/41/36/32/600413632.db2.gz JNPPUNGYAQOXIQ-JTQLQIEISA-N -1 0 317.305 -0.547 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000737350979 600413757 /nfs/dbraw/zinc/41/37/57/600413757.db2.gz ZRWXMYVLDNLGTM-JTQLQIEISA-N -1 0 319.317 -0.594 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(CN2CC[C@@H](C(=O)[O-])C2)c1 ZINC000737374713 600417760 /nfs/dbraw/zinc/41/77/60/600417760.db2.gz XHEWFDWCRKTPAA-SECBINFHSA-N -1 0 302.356 -0.503 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000049606578 600420041 /nfs/dbraw/zinc/42/00/41/600420041.db2.gz DIGFNVTYANNXOC-UHFFFAOYSA-N -1 0 322.383 -0.782 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000737775266 600422890 /nfs/dbraw/zinc/42/28/90/600422890.db2.gz ATGGDUWUTLWTGL-UHFFFAOYSA-N -1 0 322.364 -0.431 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CN2C(=O)NC3(CCOCC3)C2=O)C1 ZINC000738537572 600423697 /nfs/dbraw/zinc/42/36/97/600423697.db2.gz IUQXMIFLKQBQEJ-SNVBAGLBSA-N -1 0 311.338 -0.159 20 0 DBADRM CNC(=O)CCCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000398435655 600431909 /nfs/dbraw/zinc/43/19/09/600431909.db2.gz GCNSKJZZNXWYMH-UHFFFAOYSA-N -1 0 315.351 -0.030 20 0 DBADRM CCN(C(=O)CN1CCC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000252432744 600436644 /nfs/dbraw/zinc/43/66/44/600436644.db2.gz AGZMNIMFGXFCGL-QWRGUYRKSA-N -1 0 318.395 -0.429 20 0 DBADRM CCN(C(=O)CN1CCC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000222651096 600436645 /nfs/dbraw/zinc/43/66/45/600436645.db2.gz AGZMNIMFGXFCGL-MNOVXSKESA-N -1 0 318.395 -0.429 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCNC(=O)[C@H]1c1ccccc1 ZINC000739735269 600437214 /nfs/dbraw/zinc/43/72/14/600437214.db2.gz UFJSHGTZEXECSL-CQSZACIVSA-N -1 0 305.334 -0.250 20 0 DBADRM O=C([O-])[C@@H]1CCCN1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000739587223 600437323 /nfs/dbraw/zinc/43/73/23/600437323.db2.gz FIEALEXHKOKERL-LBPRGKRZSA-N -1 0 319.365 -0.326 20 0 DBADRM O=C([O-])CSCCC(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000739843897 600442550 /nfs/dbraw/zinc/44/25/50/600442550.db2.gz HALDSENSDXBLSH-JTQLQIEISA-N -1 0 314.367 -0.287 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cccnc1Cl ZINC000035219828 600443507 /nfs/dbraw/zinc/44/35/07/600443507.db2.gz IZGQAAUUXMWYHK-UHFFFAOYSA-N -1 0 307.715 -0.786 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CCS1(=O)=O ZINC000707474923 600447768 /nfs/dbraw/zinc/44/77/68/600447768.db2.gz QXILKKDLTGLBKE-ZETCQYMHSA-N -1 0 323.348 -0.215 20 0 DBADRM CN([C@H]1CCN(C)C1=O)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000690133492 600449700 /nfs/dbraw/zinc/44/97/00/600449700.db2.gz XJKRZHIRYNNWDK-ZETCQYMHSA-N -1 0 302.308 -0.171 20 0 DBADRM CN([C@@H]1CCN(C)C1=O)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000737515598 600450023 /nfs/dbraw/zinc/45/00/23/600450023.db2.gz YQWSQROIOXHGIU-SNVBAGLBSA-N -1 0 319.383 -0.810 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000707503705 600460424 /nfs/dbraw/zinc/46/04/24/600460424.db2.gz MGVWUPLIXRJKPU-LURJTMIESA-N -1 0 304.349 -0.051 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)N3CC[C@@H](C(=O)[O-])C3)C2=O)cn1 ZINC000739033018 600467040 /nfs/dbraw/zinc/46/70/40/600467040.db2.gz CPWIPYAORFXSBJ-MWLCHTKSSA-N -1 0 321.337 -0.359 20 0 DBADRM Cc1cc(C(=O)O[C@H](C)C(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000738216609 600469567 /nfs/dbraw/zinc/46/95/67/600469567.db2.gz HCIYVQRSRFXYJK-SSDOTTSWSA-N -1 0 321.289 -0.429 20 0 DBADRM CNC(=O)[C@H](NC(=O)Cn1cnc(C(=O)[O-])n1)c1ccccc1 ZINC000737535898 600473586 /nfs/dbraw/zinc/47/35/86/600473586.db2.gz RMKFEEFRMWJDQS-LLVKDONJSA-N -1 0 317.305 -0.420 20 0 DBADRM O=C([O-])c1ncn(CC(=O)N2CCN(Cc3ccco3)CC2)n1 ZINC000740285602 600473620 /nfs/dbraw/zinc/47/36/20/600473620.db2.gz XEFRUOQTSMBIFP-UHFFFAOYSA-N -1 0 319.321 -0.086 20 0 DBADRM Nn1c(SCC(=O)NCCC(=O)[O-])nnc1-c1ccccn1 ZINC000739211693 600474126 /nfs/dbraw/zinc/47/41/26/600474126.db2.gz YQWBBKIUHNWIIZ-UHFFFAOYSA-N -1 0 322.350 -0.263 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1cnnc1[S@](C)=O)C(=O)[O-] ZINC000736872546 600475716 /nfs/dbraw/zinc/47/57/16/600475716.db2.gz IGRXPWRKGDNULZ-FLXSWFNYSA-N -1 0 302.356 -0.369 20 0 DBADRM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCC(=O)[O-] ZINC000036983751 600490090 /nfs/dbraw/zinc/49/00/90/600490090.db2.gz SUUKRXOAVCZWFA-VIFPVBQESA-N -1 0 313.397 -0.310 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000037836387 600492340 /nfs/dbraw/zinc/49/23/40/600492340.db2.gz XXDQLPOHUJPCAT-JTQLQIEISA-N -1 0 304.368 -0.076 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCCc1ccccn1 ZINC000823132093 607448876 /nfs/dbraw/zinc/44/88/76/607448876.db2.gz ZKAVOYFZSRBWFO-UHFFFAOYSA-N -1 0 313.325 -0.398 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN(CC(N)=O)Cc1ccccc1 ZINC000737403068 600499731 /nfs/dbraw/zinc/49/97/31/600499731.db2.gz RQWJYZUFCGNFDZ-UHFFFAOYSA-N -1 0 307.350 -0.093 20 0 DBADRM CS(=O)(=O)NCCC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000738164867 600501214 /nfs/dbraw/zinc/50/12/14/600501214.db2.gz FYIVIBFXFYMUNH-JTQLQIEISA-N -1 0 322.383 -0.592 20 0 DBADRM COC(=O)N1CCN(CCN2CCN(C(=O)[O-])CC2)CC1 ZINC000737632784 600505304 /nfs/dbraw/zinc/50/53/04/600505304.db2.gz IVRLWVJVIUUNRW-UHFFFAOYSA-N -1 0 300.359 -0.334 20 0 DBADRM CCN1CCN(CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)C(=O)C1=O ZINC000737115918 600530267 /nfs/dbraw/zinc/53/02/67/600530267.db2.gz QZFFJQSFHDOWKF-JTQLQIEISA-N -1 0 313.354 -0.707 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccnc(N2CCCC2)n1)C(=O)[O-] ZINC000737590409 600546950 /nfs/dbraw/zinc/54/69/50/600546950.db2.gz HJDVROPYQNPGPR-JTQLQIEISA-N -1 0 322.321 -0.177 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)OCc2ccc(C(=O)[O-])o2)C1=O ZINC000737510215 600553087 /nfs/dbraw/zinc/55/30/87/600553087.db2.gz VYRMAAUTYAYWNM-UHFFFAOYSA-N -1 0 310.218 -0.558 20 0 DBADRM COC(=O)CNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000037311030 600577799 /nfs/dbraw/zinc/57/77/99/600577799.db2.gz FWVFBAQCJSTYIZ-UHFFFAOYSA-N -1 0 303.292 -0.155 20 0 DBADRM CS(=O)(=O)CC(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000738150315 600580023 /nfs/dbraw/zinc/58/00/23/600580023.db2.gz OAHXVIDFAAIRLW-JTQLQIEISA-N -1 0 315.347 -0.204 20 0 DBADRM O=C([O-])[C@H](CNC(=O)[C@H]1CNC(=O)C1)Cc1ccc(O)cc1 ZINC000740304668 600584129 /nfs/dbraw/zinc/58/41/29/600584129.db2.gz XENGUQOCXHUKSM-MNOVXSKESA-N -1 0 306.318 -0.112 20 0 DBADRM Cc1cc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c(C(=O)[O-])[nH]1 ZINC000738428656 600589941 /nfs/dbraw/zinc/58/99/41/600589941.db2.gz WIBHNBSQUBILEL-UHFFFAOYSA-N -1 0 308.250 -0.620 20 0 DBADRM C[C@H](CC(=O)[O-])SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000736552160 600591280 /nfs/dbraw/zinc/59/12/80/600591280.db2.gz JFLYIHCRJSMNSV-ZCFIWIBFSA-N -1 0 315.351 -0.555 20 0 DBADRM C[C@H](CN(C)C(=O)COCC(=O)NCc1cccnc1)C(=O)[O-] ZINC000736568626 600592243 /nfs/dbraw/zinc/59/22/43/600592243.db2.gz GYIQDCGMRVJKKN-LLVKDONJSA-N -1 0 323.349 -0.107 20 0 DBADRM NC(=O)NCCC(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000739169398 600603641 /nfs/dbraw/zinc/60/36/41/600603641.db2.gz ZEPOEUJVMRWBQF-UHFFFAOYSA-N -1 0 301.328 -0.058 20 0 DBADRM C[C@H](CSCC(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000736618902 600605872 /nfs/dbraw/zinc/60/58/72/600605872.db2.gz RYGILBFRUKBPFR-SNVBAGLBSA-N -1 0 318.395 -0.243 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000262379204 600614025 /nfs/dbraw/zinc/61/40/25/600614025.db2.gz CFZCYENDVTVARF-ZWNOBZJWSA-N -1 0 308.338 -0.127 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=S)NCCCC(=O)[O-])C1 ZINC000737552955 600615798 /nfs/dbraw/zinc/61/57/98/600615798.db2.gz PJHZPMXBFKQRMW-SECBINFHSA-N -1 0 323.440 -0.261 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCS(=O)(=O)C[C@H]1C)C(=O)[O-] ZINC000736888548 600622868 /nfs/dbraw/zinc/62/28/68/600622868.db2.gz UXXYNFGEUKZYLY-UMNHJUIQSA-N -1 0 320.411 -0.279 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000049098722 600648860 /nfs/dbraw/zinc/64/88/60/600648860.db2.gz IXFGSSKQJBMOGM-QMMMGPOBSA-N -1 0 300.336 -0.274 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Oc2ccccc2CC(=O)[O-])c1=O ZINC000739001873 600675643 /nfs/dbraw/zinc/67/56/43/600675643.db2.gz ATHAXKYAHSFODQ-UHFFFAOYSA-N -1 0 318.285 -0.220 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N(CCC(=O)[O-])CC(C)C)C(N)=O ZINC000736155823 600682106 /nfs/dbraw/zinc/68/21/06/600682106.db2.gz LEEHJTBPEUWWQZ-JTQLQIEISA-N -1 0 301.343 -0.674 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000020547702 600685811 /nfs/dbraw/zinc/68/58/11/600685811.db2.gz QQOFVTQTIISGIP-UHFFFAOYSA-N -1 0 301.324 -0.434 20 0 DBADRM CC(C)CCn1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])nn1 ZINC000736436965 600695050 /nfs/dbraw/zinc/69/50/50/600695050.db2.gz ZWKHMKIKSQSNHF-LLVKDONJSA-N -1 0 323.353 -0.261 20 0 DBADRM CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000036133671 600697954 /nfs/dbraw/zinc/69/79/54/600697954.db2.gz LLZZUKFMQAMLBP-SNVBAGLBSA-N -1 0 315.351 -0.046 20 0 DBADRM CCC[C@](C)(NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000063142495 600702706 /nfs/dbraw/zinc/70/27/06/600702706.db2.gz NTCCYAKUJLUFKC-VIFPVBQESA-N -1 0 301.386 -0.406 20 0 DBADRM COC(=O)C(C)(C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000037047571 600704901 /nfs/dbraw/zinc/70/49/01/600704901.db2.gz ALHOIDAAOXCOAV-UHFFFAOYSA-N -1 0 305.312 -0.802 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCCCNC2=O)c[nH]1 ZINC000037028117 600706602 /nfs/dbraw/zinc/70/66/02/600706602.db2.gz DHMQNYQBHFFRCK-QMMMGPOBSA-N -1 0 301.324 -0.340 20 0 DBADRM C[C@@H](OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C(=O)[O-] ZINC000820183167 600722857 /nfs/dbraw/zinc/72/28/57/600722857.db2.gz WYPUAOQQHKYBON-SSDOTTSWSA-N -1 0 315.303 -0.425 20 0 DBADRM CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1=O ZINC000084199439 600723636 /nfs/dbraw/zinc/72/36/36/600723636.db2.gz KDUBNIWWKAXPNB-UHFFFAOYSA-N -1 0 316.310 -0.013 20 0 DBADRM COC(=O)CCCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831152328 600726020 /nfs/dbraw/zinc/72/60/20/600726020.db2.gz PWZOUEQGKMHRNI-UHFFFAOYSA-N -1 0 319.339 -0.411 20 0 DBADRM CC[C@@H](C(=O)OCC(=O)NCCC(=O)[O-])N1CCCC1=O ZINC000828603086 600736763 /nfs/dbraw/zinc/73/67/63/600736763.db2.gz BLXGCTKLYHWODF-VIFPVBQESA-N -1 0 300.311 -0.479 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCNC(=O)CC2)cs1 ZINC000070157133 600737734 /nfs/dbraw/zinc/73/77/34/600737734.db2.gz XDRGSHFIMUOGBG-UHFFFAOYSA-N -1 0 304.349 -0.043 20 0 DBADRM CCCN(CC(=O)[O-])CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000038021459 600740171 /nfs/dbraw/zinc/74/01/71/600740171.db2.gz UAICXJKDHNOZIH-NSHDSACASA-N -1 0 320.411 -0.181 20 0 DBADRM C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000091394483 600743902 /nfs/dbraw/zinc/74/39/02/600743902.db2.gz XZYQQABZVUFGFC-SNVBAGLBSA-N -1 0 316.383 -0.318 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)NCCCN2C(=O)CNC2=O)C1 ZINC000738537812 600749003 /nfs/dbraw/zinc/74/90/03/600749003.db2.gz LAYADXFNDWJCCJ-VIFPVBQESA-N -1 0 312.326 -0.566 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCCC1 ZINC000761297904 600752635 /nfs/dbraw/zinc/75/26/35/600752635.db2.gz VCYMHRHFTGGZGI-UHFFFAOYSA-N -1 0 301.324 -0.211 20 0 DBADRM CN1C[C@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCC1=O ZINC000084088360 600755562 /nfs/dbraw/zinc/75/55/62/600755562.db2.gz SKYIESKIZUABHL-SSDOTTSWSA-N -1 0 301.324 -0.388 20 0 DBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCC(=O)[O-])c1 ZINC000262209968 600759117 /nfs/dbraw/zinc/75/91/17/600759117.db2.gz JNJBKDRYIZDBDB-UHFFFAOYSA-N -1 0 319.339 -0.856 20 0 DBADRM CCN(CC)S(=O)(=O)N1CCN(C[C@@](C)(O)C(=O)[O-])CC1 ZINC000737087434 600761718 /nfs/dbraw/zinc/76/17/18/600761718.db2.gz FMAQSAZVVBUIDN-GFCCVEGCSA-N -1 0 323.415 -0.974 20 0 DBADRM Cn1cc(S(=O)(=O)NCCNC(=O)C2CC2)cc1C(=O)[O-] ZINC000131357076 600767215 /nfs/dbraw/zinc/76/72/15/600767215.db2.gz KUZOUZWCKJGFBL-UHFFFAOYSA-N -1 0 315.351 -0.472 20 0 DBADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC000108275517 600772475 /nfs/dbraw/zinc/77/24/75/600772475.db2.gz VVNSWRSCTQOSJL-QMMMGPOBSA-N -1 0 316.335 -0.093 20 0 DBADRM Cc1nonc1CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000833023806 600788796 /nfs/dbraw/zinc/78/87/96/600788796.db2.gz LMQPZGMZTWJESD-UHFFFAOYSA-N -1 0 300.296 -0.107 20 0 DBADRM COC(=O)CC(C)(C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000737596925 600798242 /nfs/dbraw/zinc/79/82/42/600798242.db2.gz ICTAWDVMICUJSN-UHFFFAOYSA-N -1 0 322.383 -0.041 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])nn2)C1 ZINC000831024710 600813856 /nfs/dbraw/zinc/81/38/56/600813856.db2.gz JMXBZEPARMJSNW-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM Cn1ccc(N2CCC[C@H](N3CCO[C@H](C(=O)[O-])C3)C2=O)n1 ZINC000819072446 600824819 /nfs/dbraw/zinc/82/48/19/600824819.db2.gz SIKCSOFNPQCFIY-QWRGUYRKSA-N -1 0 308.338 -0.299 20 0 DBADRM Cc1cc(N2CC[C@H](N3CCO[C@@H](C(=O)[O-])C3)C2=O)n(C)n1 ZINC000818829876 600825378 /nfs/dbraw/zinc/82/53/78/600825378.db2.gz QOBPVUDYXPWWJZ-WDEREUQCSA-N -1 0 308.338 -0.381 20 0 DBADRM Cc1oc(CN(C)C(=O)c2cn(CC(N)=O)nn2)cc1C(=O)[O-] ZINC000833025076 600852324 /nfs/dbraw/zinc/85/23/24/600852324.db2.gz AESZERNLLXNQDY-UHFFFAOYSA-N -1 0 321.293 -0.365 20 0 DBADRM C[C@H](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C(=O)[O-] ZINC000818046415 600854930 /nfs/dbraw/zinc/85/49/30/600854930.db2.gz YJKWKXBIOXXILK-ZETCQYMHSA-N -1 0 314.319 -0.852 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cn1 ZINC000737815360 600873127 /nfs/dbraw/zinc/87/31/27/600873127.db2.gz PKCSTQGKZPNPAL-ZJUUUORDSA-N -1 0 310.310 -0.695 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cn1 ZINC000737815355 600873149 /nfs/dbraw/zinc/87/31/49/600873149.db2.gz PKCSTQGKZPNPAL-UWVGGRQHSA-N -1 0 310.310 -0.695 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CCSc1n[nH]c(C)n1)C(=O)[O-] ZINC000831128246 600877037 /nfs/dbraw/zinc/87/70/37/600877037.db2.gz FFFKWXCJZBDSNG-SSDOTTSWSA-N -1 0 316.339 -0.272 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CCSc1n[nH]c(C)n1 ZINC000831065588 600877081 /nfs/dbraw/zinc/87/70/81/600877081.db2.gz DGULOESOEZZXBU-SSDOTTSWSA-N -1 0 316.339 -0.272 20 0 DBADRM CC[NH+]1CCN(CCC(=O)N[C@@H](CC(=O)[O-])C(=O)OC)CC1 ZINC000829776655 600877358 /nfs/dbraw/zinc/87/73/58/600877358.db2.gz SKSMBDULYVYWHJ-NSHDSACASA-N -1 0 315.370 -0.854 20 0 DBADRM CC[NH+]1CCN(CCC(=O)N[C@H](CC(=O)OC)C(=O)[O-])CC1 ZINC000829776874 600877548 /nfs/dbraw/zinc/87/75/48/600877548.db2.gz XYPUTGFRRMKZLV-LLVKDONJSA-N -1 0 315.370 -0.854 20 0 DBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N(C)CC(=O)[O-])c1 ZINC000263160599 600880975 /nfs/dbraw/zinc/88/09/75/600880975.db2.gz YNWHKRWGLUEWMM-UHFFFAOYSA-N -1 0 319.339 -0.904 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C ZINC000739626201 600881885 /nfs/dbraw/zinc/88/18/85/600881885.db2.gz DYHOCEGRGJCYCG-BDAKNGLRSA-N -1 0 302.327 -0.100 20 0 DBADRM CN(CC(=O)[O-])C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C ZINC000739626202 600881933 /nfs/dbraw/zinc/88/19/33/600881933.db2.gz DYHOCEGRGJCYCG-DTWKUNHWSA-N -1 0 302.327 -0.100 20 0 DBADRM COC(=O)CC1=C(C(=O)[O-])[C@@H](c2cn(C)nn2)NC(=S)N1 ZINC000737591024 600885540 /nfs/dbraw/zinc/88/55/40/600885540.db2.gz JXAHHMISPWHLMY-SECBINFHSA-N -1 0 311.323 -0.764 20 0 DBADRM Cc1nc(SCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n[nH]1 ZINC000832991274 600887214 /nfs/dbraw/zinc/88/72/14/600887214.db2.gz SKAZMXHJMPGTHM-ZETCQYMHSA-N -1 0 313.339 -0.993 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000390228136 600888079 /nfs/dbraw/zinc/88/80/79/600888079.db2.gz GGZQJLUBMRYIOH-NXEZZACHSA-N -1 0 306.384 -0.067 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCSC[C@@H]2CC(=O)[O-])S1 ZINC000833089572 600892299 /nfs/dbraw/zinc/89/22/99/600892299.db2.gz RSXXUMXBGAJGEY-NKWVEPMBSA-N -1 0 317.392 -0.038 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000737572922 600901146 /nfs/dbraw/zinc/90/11/46/600901146.db2.gz HPQWIHXNRWVLOW-SECBINFHSA-N -1 0 320.257 -0.684 20 0 DBADRM CC(C)CC(=O)NCCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000736395704 600902382 /nfs/dbraw/zinc/90/23/82/600902382.db2.gz FOKCEVBTSDNPLE-SNVBAGLBSA-N -1 0 313.354 -0.660 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CCN(C(=O)[O-])CC2)n1C ZINC000833017509 600903109 /nfs/dbraw/zinc/90/31/09/600903109.db2.gz AEXYVALKRDCIGM-UHFFFAOYSA-N -1 0 310.358 -0.622 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000320699052 600930504 /nfs/dbraw/zinc/93/05/04/600930504.db2.gz NUWNRDCEZGPJMU-NWDGAFQWSA-N -1 0 311.382 -0.103 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000833181273 600938236 /nfs/dbraw/zinc/93/82/36/600938236.db2.gz LZFPIQKULGDDLQ-DJLDLDEBSA-N -1 0 313.335 -0.098 20 0 DBADRM Cc1oc(COC(=O)c2cn(CC(N)=O)nn2)cc1C(=O)[O-] ZINC000833027289 600942284 /nfs/dbraw/zinc/94/22/84/600942284.db2.gz RLXWGYLBEBAZPX-UHFFFAOYSA-N -1 0 308.250 -0.280 20 0 DBADRM CCN1CCN(CC(=O)O[C@@H](CC(C)C)C(=O)[O-])C(=O)C1=O ZINC000829776551 600951558 /nfs/dbraw/zinc/95/15/58/600951558.db2.gz QVTXARZAYSZBEY-JTQLQIEISA-N -1 0 314.338 -0.280 20 0 DBADRM CN1CCN(CC(=O)N2CCSC[C@@H]2CC(=O)[O-])CC1 ZINC000830950336 600965876 /nfs/dbraw/zinc/96/58/76/600965876.db2.gz IZSYOWYUGFTFOD-NSHDSACASA-N -1 0 301.412 -0.348 20 0 DBADRM COC[C@H]1CN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])CCO1 ZINC000737752811 600969433 /nfs/dbraw/zinc/96/94/33/600969433.db2.gz ZZXSCRLYSSXEJX-VXGBXAGGSA-N -1 0 302.371 -0.051 20 0 DBADRM C[C@@H](c1cccnc1)N1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000736724690 600978087 /nfs/dbraw/zinc/97/80/87/600978087.db2.gz NUTYFNXVBGYLTJ-LBPRGKRZSA-N -1 0 306.366 -0.039 20 0 DBADRM C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)NC(C)(C)C ZINC000228926736 600994533 /nfs/dbraw/zinc/99/45/33/600994533.db2.gz RCINJRZDRMJNLJ-QMMMGPOBSA-N -1 0 309.388 -0.470 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC1CCC2(CC1)OCCO2 ZINC000715621187 600994589 /nfs/dbraw/zinc/99/45/89/600994589.db2.gz GDANHSGYANIVJS-UHFFFAOYSA-N -1 0 322.383 -0.087 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCCC[C@@H]1C1OCCO1 ZINC000830735112 600994705 /nfs/dbraw/zinc/99/47/05/600994705.db2.gz KTAQDZUCOSOXPL-SNVBAGLBSA-N -1 0 322.383 -0.135 20 0 DBADRM Cc1nccn1CCCNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000833011444 600994864 /nfs/dbraw/zinc/99/48/64/600994864.db2.gz WGZAJCAAVXINNO-UHFFFAOYSA-N -1 0 304.372 -0.177 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)CCSCC(=O)[O-])n1 ZINC000737349737 601030544 /nfs/dbraw/zinc/03/05/44/601030544.db2.gz IZBHKKJENDVPOL-UHFFFAOYSA-N -1 0 315.355 -0.487 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000737550720 601054835 /nfs/dbraw/zinc/05/48/35/601054835.db2.gz NMWQWSSBFGNDSH-NSHDSACASA-N -1 0 319.317 -0.539 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)Nc2ccn(CC(=O)[O-])n2)cn1 ZINC000833043440 601062755 /nfs/dbraw/zinc/06/27/55/601062755.db2.gz RFYKTYKTUNZTNR-VIFPVBQESA-N -1 0 308.298 -0.444 20 0 DBADRM CN1CC(=O)N(CC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000320596041 601075858 /nfs/dbraw/zinc/07/58/58/601075858.db2.gz COYLROZEDUGZIX-LLVKDONJSA-N -1 0 319.317 -0.135 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccc2n[nH]cc2c1 ZINC000316071807 601080913 /nfs/dbraw/zinc/08/09/13/601080913.db2.gz KTPBTBHUIHTIQG-LLVKDONJSA-N -1 0 302.290 -0.022 20 0 DBADRM CCc1c(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])cnc2ncnn21 ZINC000830208851 601102566 /nfs/dbraw/zinc/10/25/66/601102566.db2.gz AWDUFXJJXBIWMG-SSDOTTSWSA-N -1 0 321.293 -0.567 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCO[C@@H](CNc2cccnn2)C1 ZINC000736209161 601106653 /nfs/dbraw/zinc/10/66/53/601106653.db2.gz QBUYDNSFSBHUJJ-MNOVXSKESA-N -1 0 323.353 -0.821 20 0 DBADRM CCCc1nc([C@H]2CN(CC(=O)NCC(=O)[O-])CCO2)n[nH]1 ZINC000737051519 601107875 /nfs/dbraw/zinc/10/78/75/601107875.db2.gz UFLGNEZIRKYULE-SECBINFHSA-N -1 0 311.342 -0.669 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000736208783 601118637 /nfs/dbraw/zinc/11/86/37/601118637.db2.gz NVSMBEVHDFWJRJ-DTWKUNHWSA-N -1 0 323.353 -0.723 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1nonc1N)C(=O)[O-] ZINC000828727107 601122112 /nfs/dbraw/zinc/12/21/12/601122112.db2.gz AEQRIQCOCVTKIV-IYSWYEEDSA-N -1 0 300.271 -0.576 20 0 DBADRM NC(=O)C1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000833079131 601130355 /nfs/dbraw/zinc/13/03/55/601130355.db2.gz DAYUXJFGDOINQQ-UHFFFAOYSA-N -1 0 304.368 -0.232 20 0 DBADRM O=C([O-])c1ccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000821554364 601132949 /nfs/dbraw/zinc/13/29/49/601132949.db2.gz PEXOZQPQIOJVRB-GFCCVEGCSA-N -1 0 303.318 -0.473 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000828500404 601155102 /nfs/dbraw/zinc/15/51/02/601155102.db2.gz QZFOPLALXLYYGM-ZJUUUORDSA-N -1 0 314.411 -0.315 20 0 DBADRM COc1ncc(C)cc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000818639062 601163792 /nfs/dbraw/zinc/16/37/92/601163792.db2.gz ZVMPKLCTIOKFDP-JTQLQIEISA-N -1 0 323.305 -0.351 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCN(C2CC2)C(=O)C1)C(=O)[O-] ZINC000828717452 601181197 /nfs/dbraw/zinc/18/11/97/601181197.db2.gz JOCVMMJFBIRZHC-QMTHXVAHSA-N -1 0 311.382 -0.092 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC1 ZINC000827575808 601182989 /nfs/dbraw/zinc/18/29/89/601182989.db2.gz QWGJGRKSZOUDRW-GHMZBOCLSA-N -1 0 320.411 -0.326 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000827575809 601183030 /nfs/dbraw/zinc/18/30/30/601183030.db2.gz QWGJGRKSZOUDRW-MNOVXSKESA-N -1 0 320.411 -0.326 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000831724898 601186364 /nfs/dbraw/zinc/18/63/64/601186364.db2.gz GCXZABUOGDGPNY-SNVBAGLBSA-N -1 0 324.337 -0.288 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000831180472 601191344 /nfs/dbraw/zinc/19/13/44/601191344.db2.gz UKYOKHRZKQQOTP-RKDXNWHRSA-N -1 0 301.295 -0.290 20 0 DBADRM CC(C)(CNC(=O)Cn1cc(C(=O)[O-])nn1)N1CCOCC1 ZINC000826568429 601194832 /nfs/dbraw/zinc/19/48/32/601194832.db2.gz VWQDZTBCRHOTSQ-UHFFFAOYSA-N -1 0 311.342 -0.797 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC2CCC3(CC2)OCCO3)nn1 ZINC000833121803 601197625 /nfs/dbraw/zinc/19/76/25/601197625.db2.gz LZDVHHBBVBXKFJ-UHFFFAOYSA-N -1 0 310.310 -0.222 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCCC[C@@H]2C2OCCO2)nn1 ZINC000833340416 601199271 /nfs/dbraw/zinc/19/92/71/601199271.db2.gz TZYAEPLEXGXKBG-SNVBAGLBSA-N -1 0 310.310 -0.270 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)CSC[C@@H](O)CO)n1 ZINC000833268914 601223064 /nfs/dbraw/zinc/22/30/64/601223064.db2.gz HUVYTPCQGJWAFU-ZETCQYMHSA-N -1 0 306.365 -0.205 20 0 DBADRM Cc1oc(S(=O)(=O)N[C@H]2CCN(C)C2=O)cc1C(=O)[O-] ZINC000833029061 601223150 /nfs/dbraw/zinc/22/31/50/601223150.db2.gz YIDKMNVSUQRXGM-QMMMGPOBSA-N -1 0 302.308 -0.205 20 0 DBADRM NC(=O)CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000036747188 601230677 /nfs/dbraw/zinc/23/06/77/601230677.db2.gz OSYQMSCXVORDOC-UHFFFAOYSA-N -1 0 308.262 -0.183 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)CCSCC(=O)[O-])C1=O ZINC000826956460 601244674 /nfs/dbraw/zinc/24/46/74/601244674.db2.gz QILUHIADSAOMIY-MRVPVSSYSA-N -1 0 302.352 -0.154 20 0 DBADRM CCn1cncc1S(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-] ZINC000830429756 601255976 /nfs/dbraw/zinc/25/59/76/601255976.db2.gz NTSXBNCQCAPWJG-SSDOTTSWSA-N -1 0 305.312 -0.802 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000825871305 601256971 /nfs/dbraw/zinc/25/69/71/601256971.db2.gz OSXCZQUPLDSBNI-NSHDSACASA-N -1 0 321.399 -0.514 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC(=O)Nc1ccccc1 ZINC000830742819 601258617 /nfs/dbraw/zinc/25/86/17/601258617.db2.gz QJCNBXFNJZDUBD-UHFFFAOYSA-N -1 0 315.351 -0.134 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000827386930 601259282 /nfs/dbraw/zinc/25/92/82/601259282.db2.gz ZCVVZHKPIRUCJZ-NWDGAFQWSA-N -1 0 320.411 -0.024 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCCN1CCOC1=O ZINC000830747524 601259526 /nfs/dbraw/zinc/25/95/26/601259526.db2.gz MTWFYJIIWQCZRZ-UHFFFAOYSA-N -1 0 309.344 -0.930 20 0 DBADRM C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1nnc2n1CCC2 ZINC000088768597 601259531 /nfs/dbraw/zinc/25/95/31/601259531.db2.gz JHQFGXRCJCMHRI-QMMMGPOBSA-N -1 0 317.371 -0.474 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000831643309 601260533 /nfs/dbraw/zinc/26/05/33/601260533.db2.gz FYGAYAXJJBQHSU-MNOVXSKESA-N -1 0 308.400 -0.168 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000832848621 601260582 /nfs/dbraw/zinc/26/05/82/601260582.db2.gz IRYOTJLGNFIJSO-VIFPVBQESA-N -1 0 316.383 -0.112 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCN(C2CCC2)CC1 ZINC000393170535 601261002 /nfs/dbraw/zinc/26/10/02/601261002.db2.gz CLUTWPIRCRNCAT-UHFFFAOYSA-N -1 0 305.400 -0.192 20 0 DBADRM NS(=O)(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833087762 601263104 /nfs/dbraw/zinc/26/31/04/601263104.db2.gz GQHBAHKDDPVQLK-LURJTMIESA-N -1 0 305.337 -0.655 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCN(C2CCOCC2)CC1 ZINC000833228103 601267806 /nfs/dbraw/zinc/26/78/06/601267806.db2.gz GEMTXGLYIPHVML-UHFFFAOYSA-N -1 0 320.411 -0.022 20 0 DBADRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)CCS(C)(=O)=O ZINC000828804547 601268785 /nfs/dbraw/zinc/26/87/85/601268785.db2.gz QFWQAIRQRVSMOR-UHFFFAOYSA-N -1 0 315.413 -0.016 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@H](C(N)=O)c1ccccc1)C(=O)[O-] ZINC000827545446 601273636 /nfs/dbraw/zinc/27/36/36/601273636.db2.gz AGPJVZSXRBSDIR-SCZZXKLOSA-N -1 0 300.336 -0.147 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cnc2c(cnn2C)c1 ZINC000831071370 601274010 /nfs/dbraw/zinc/27/40/10/601274010.db2.gz CBCMAHPYPGMUFL-VIFPVBQESA-N -1 0 306.278 -0.286 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCc2cn3c(n2)CCCC3)nn1 ZINC000833120535 601275563 /nfs/dbraw/zinc/27/55/63/601275563.db2.gz BPGBYFSMIPNLIS-UHFFFAOYSA-N -1 0 318.337 -0.132 20 0 DBADRM O=C([O-])c1cn(CC(=O)Nc2ccc(-n3nccn3)nc2)nn1 ZINC000833120731 601277276 /nfs/dbraw/zinc/27/72/76/601277276.db2.gz BKXJVFHMAXMFIF-UHFFFAOYSA-N -1 0 314.265 -0.409 20 0 DBADRM O=C([O-])c1cn(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)nn1 ZINC000833122234 601278458 /nfs/dbraw/zinc/27/84/58/601278458.db2.gz ZYUHVXRAVWRQGW-UHFFFAOYSA-N -1 0 314.265 -0.205 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCC(=O)N2CCCCCC2)nn1 ZINC000833120595 601280145 /nfs/dbraw/zinc/28/01/45/601280145.db2.gz FZBYMLXMKVCDTJ-UHFFFAOYSA-N -1 0 323.353 -0.115 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCC(=O)Nc2cccnc2)nn1 ZINC000833121215 601280467 /nfs/dbraw/zinc/28/04/67/601280467.db2.gz YMNMXDYMYBSPKX-UHFFFAOYSA-N -1 0 318.293 -0.484 20 0 DBADRM NC(=O)NC[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833085926 601280658 /nfs/dbraw/zinc/28/06/58/601280658.db2.gz TYCKHVXVKBCUQY-QMMMGPOBSA-N -1 0 310.314 -0.974 20 0 DBADRM C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)[C@H](C)N1CCOCC1 ZINC000827637966 601282928 /nfs/dbraw/zinc/28/29/28/601282928.db2.gz YZPLSGUHKFXTMN-ZJUUUORDSA-N -1 0 311.342 -0.798 20 0 DBADRM CCc1nc2n(n1)C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)CC2 ZINC000830322706 601286688 /nfs/dbraw/zinc/28/66/88/601286688.db2.gz LIXFOWLZVFPMCV-QMMMGPOBSA-N -1 0 319.325 -0.739 20 0 DBADRM Cn1cc([C@H]2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)C2)cn1 ZINC000833043377 601286920 /nfs/dbraw/zinc/28/69/20/601286920.db2.gz PLRGDKKXYGORGT-VIFPVBQESA-N -1 0 304.310 -0.274 20 0 DBADRM CC(C)c1nncn1CCNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000827175090 601288057 /nfs/dbraw/zinc/28/80/57/601288057.db2.gz AYSDXCWLNHDQFX-UHFFFAOYSA-N -1 0 307.314 -0.492 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000828142995 601288096 /nfs/dbraw/zinc/28/80/96/601288096.db2.gz LJAVWZLAFVRVLD-RDLWGGRYSA-N -1 0 300.340 -0.656 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCCOC[C@@H]2CCOC2)nn1 ZINC000833120507 601289516 /nfs/dbraw/zinc/28/95/16/601289516.db2.gz ABZYNTDWMCGGBS-JTQLQIEISA-N -1 0 312.326 -0.464 20 0 DBADRM CC(C)N1C(=O)CN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1(C)C ZINC000826956294 601290505 /nfs/dbraw/zinc/29/05/05/601290505.db2.gz JTLAEQOZKPZNQZ-UHFFFAOYSA-N -1 0 323.353 -0.166 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000830706446 601294888 /nfs/dbraw/zinc/29/48/88/601294888.db2.gz LJRHURFEBIWCJB-GFCCVEGCSA-N -1 0 323.349 -0.455 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(S(N)(=O)=O)o1 ZINC000831567859 601301737 /nfs/dbraw/zinc/30/17/37/601301737.db2.gz MZWHTTWEUPUFLU-NSHDSACASA-N -1 0 320.323 -0.463 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@](C)(COC)CC(=O)[O-] ZINC000262107099 601303061 /nfs/dbraw/zinc/30/30/61/601303061.db2.gz NQOIWAOODHDEOU-LBPRGKRZSA-N -1 0 324.399 -0.346 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCO[C@@H](c2cnn(C)c2)C1 ZINC000830692593 601326262 /nfs/dbraw/zinc/32/62/62/601326262.db2.gz NHAKRBHKLSJNLJ-GFCCVEGCSA-N -1 0 310.354 -0.274 20 0 DBADRM CCCS(=O)(=O)CC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000829545792 601330302 /nfs/dbraw/zinc/33/03/02/601330302.db2.gz NGXICFSZZSDEEQ-UHFFFAOYSA-N -1 0 307.368 -0.049 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCCCC(=O)[O-] ZINC000818113519 601332612 /nfs/dbraw/zinc/33/26/12/601332612.db2.gz PWXDQNSHBCJXLO-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM CNS(=O)(=O)CC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000831025616 601341989 /nfs/dbraw/zinc/34/19/89/601341989.db2.gz UZKLNWXLXZCYPA-VIFPVBQESA-N -1 0 308.356 -0.982 20 0 DBADRM CNS(=O)(=O)CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000831025622 601342212 /nfs/dbraw/zinc/34/22/12/601342212.db2.gz VCQPUYIWXGQQIY-SNVBAGLBSA-N -1 0 300.336 -0.480 20 0 DBADRM CNS(=O)(=O)CC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000831025541 601342481 /nfs/dbraw/zinc/34/24/81/601342481.db2.gz RYRVCIBPHHBKIG-UHFFFAOYSA-N -1 0 308.356 -0.982 20 0 DBADRM CN(C(=O)[O-])c1ccc(NC(=O)C(=O)NC(CO)CO)cc1 ZINC000830507840 601346796 /nfs/dbraw/zinc/34/67/96/601346796.db2.gz QNHRFEQUGMDRGT-UHFFFAOYSA-N -1 0 311.294 -0.791 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)Cn1cc(C(=O)[O-])ccc1=O ZINC000830869922 601350129 /nfs/dbraw/zinc/35/01/29/601350129.db2.gz RWYPBQYTYUQVOZ-UHFFFAOYSA-N -1 0 304.306 -0.061 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)CC1=O ZINC000830913069 601350274 /nfs/dbraw/zinc/35/02/74/601350274.db2.gz KECMXGMFXAJMAG-MRVPVSSYSA-N -1 0 323.280 -0.191 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N2CC[C@H](CO)C2)cc1 ZINC000833254050 601352230 /nfs/dbraw/zinc/35/22/30/601352230.db2.gz GFBFVPOAWSXEDP-JTQLQIEISA-N -1 0 322.317 -0.071 20 0 DBADRM C[C@H](CCO)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000827417475 601364548 /nfs/dbraw/zinc/36/45/48/601364548.db2.gz JTTAEUWMKQTONP-SKDRFNHKSA-N -1 0 322.317 -0.248 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000827398229 601366085 /nfs/dbraw/zinc/36/60/85/601366085.db2.gz UQRMSQHOTFZKME-LURJTMIESA-N -1 0 311.269 -0.158 20 0 DBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1 ZINC000832704071 601370857 /nfs/dbraw/zinc/37/08/57/601370857.db2.gz VTJFTIHYWFSZSQ-UHFFFAOYSA-N -1 0 322.364 -0.189 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CC[C@@](F)(C(=O)[O-])C2)C1=O ZINC000831660668 601371448 /nfs/dbraw/zinc/37/14/48/601371448.db2.gz NMYVVRBKRVUNNO-RYUDHWBXSA-N -1 0 303.290 -0.601 20 0 DBADRM O=C([O-])[C@]1(F)CCN(CN2C(=O)NC3(CCOCC3)C2=O)C1 ZINC000833360300 601372082 /nfs/dbraw/zinc/37/20/82/601372082.db2.gz FESBYXPMOJVGFO-LBPRGKRZSA-N -1 0 315.301 -0.457 20 0 DBADRM O=C([O-])C[C@@H]1CN(Cn2nnc3ccccc3c2=O)CCO1 ZINC000316657719 601373894 /nfs/dbraw/zinc/37/38/94/601373894.db2.gz BBYQUJYBSWRDHX-SNVBAGLBSA-N -1 0 304.306 -0.076 20 0 DBADRM O=C([O-])C[C@H]1CN(Cn2nnn(-c3ccccc3)c2=O)CCO1 ZINC000833220313 601374607 /nfs/dbraw/zinc/37/46/07/601374607.db2.gz PSFKYQHBPMMVCQ-LBPRGKRZSA-N -1 0 319.321 -0.438 20 0 DBADRM CO[C@H](C)c1noc(CN(C)[C@H](C)C(=O)NCC(=O)[O-])n1 ZINC000831505928 601380554 /nfs/dbraw/zinc/38/05/54/601380554.db2.gz WASRGUDKWZQBOT-HTQZYQBOSA-N -1 0 300.315 -0.202 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1CC1 ZINC000831079474 601389588 /nfs/dbraw/zinc/38/95/88/601389588.db2.gz VLOISPLIHXMFSQ-JTQLQIEISA-N -1 0 320.367 -0.431 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC2(CNC(=O)C2)CC1 ZINC000833228497 601390278 /nfs/dbraw/zinc/39/02/78/601390278.db2.gz PXGPHVTYUCUSTG-UHFFFAOYSA-N -1 0 304.368 -0.217 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)c[nH]1 ZINC000831338302 601390763 /nfs/dbraw/zinc/39/07/63/601390763.db2.gz YLZXEIRYGOPVNJ-LLVKDONJSA-N -1 0 320.298 -0.011 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000049098690 601400649 /nfs/dbraw/zinc/40/06/49/601400649.db2.gz NIDZLNDHWUANRY-MRVPVSSYSA-N -1 0 300.336 -0.061 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1c1ccc(C(=O)[O-])nn1 ZINC000831029570 601410669 /nfs/dbraw/zinc/41/06/69/601410669.db2.gz WNHRCQMQFSQPDA-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC000830907776 601427099 /nfs/dbraw/zinc/42/70/99/601427099.db2.gz PKGQXMXQBGKSQC-MSLVZZLFSA-N -1 0 309.322 -0.456 20 0 DBADRM CNC(=O)[C@H](C)CN(C)c1cc(C)nc2nc(C(=O)[O-])nn21 ZINC000830975803 601434472 /nfs/dbraw/zinc/43/44/72/601434472.db2.gz SXGHHSOUYFRIDM-SSDOTTSWSA-N -1 0 306.326 -0.051 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)c1cc(C)nc2nc(C(=O)[O-])nn21 ZINC000830975804 601434535 /nfs/dbraw/zinc/43/45/35/601434535.db2.gz SXGHHSOUYFRIDM-ZETCQYMHSA-N -1 0 306.326 -0.051 20 0 DBADRM COC(=O)C[C@H](NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)[O-] ZINC000831128044 601439051 /nfs/dbraw/zinc/43/90/51/601439051.db2.gz BYPXPEUWRPHKJV-JTQLQIEISA-N -1 0 324.289 -0.746 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC1(CC(=O)[O-])CCC1 ZINC000831155845 601444225 /nfs/dbraw/zinc/44/42/25/601444225.db2.gz SWFHVKZSXQPQBK-UHFFFAOYSA-N -1 0 308.356 -0.287 20 0 DBADRM CN(C)CCN(C(=O)CCNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000830604074 601448208 /nfs/dbraw/zinc/44/82/08/601448208.db2.gz FYTCZZQOLVONMG-JTQLQIEISA-N -1 0 321.399 -0.779 20 0 DBADRM O=C([O-])C[C@@H]1CN(C[C@H](O)COC[C@H]2CCCO2)CCO1 ZINC000833222622 601454669 /nfs/dbraw/zinc/45/46/69/601454669.db2.gz SBKAEPMTTKTBJU-YNEHKIRRSA-N -1 0 303.355 -0.282 20 0 DBADRM CC1(C)NC(=O)N(CCCN2CCO[C@@H](CC(=O)[O-])C2)C1=O ZINC000828082235 601455151 /nfs/dbraw/zinc/45/51/51/601455151.db2.gz KXKYZWLPEVKRPZ-JTQLQIEISA-N -1 0 313.354 -0.118 20 0 DBADRM COCCS(=O)(=O)CCCN1CCO[C@H](CC(=O)[O-])C1 ZINC000831788520 601457212 /nfs/dbraw/zinc/45/72/12/601457212.db2.gz XUWPDUJNSCIGSZ-LLVKDONJSA-N -1 0 309.384 -0.387 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCO[C@@H](CC(=O)[O-])C2)C[C@@H](C)O1 ZINC000227564771 601461064 /nfs/dbraw/zinc/46/10/64/601461064.db2.gz DXXLDNFUORHXQF-UTUOFQBUSA-N -1 0 300.355 -0.202 20 0 DBADRM O=C([O-])CN(CC(=O)N1CCN(C(=O)C2CC2)CC1)C1CC1 ZINC000833247413 601464062 /nfs/dbraw/zinc/46/40/62/601464062.db2.gz IEKHVJDYUOINET-UHFFFAOYSA-N -1 0 309.366 -0.384 20 0 DBADRM C[C@H](OC(=O)Cc1nn(CCO)c(=O)c2ccccc12)C(=O)[O-] ZINC000820177743 601467205 /nfs/dbraw/zinc/46/72/05/601467205.db2.gz KKIGUMPVAIOGKU-VIFPVBQESA-N -1 0 320.301 -0.052 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCCN(C)C2=O)cc1C(=O)[O-] ZINC000830935268 601478365 /nfs/dbraw/zinc/47/83/65/601478365.db2.gz UNLJENYAWZVBIM-SECBINFHSA-N -1 0 315.351 -0.378 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)n(C)n1 ZINC000832892164 601491961 /nfs/dbraw/zinc/49/19/61/601491961.db2.gz GRRNALKYQFTDTB-SECBINFHSA-N -1 0 310.310 -0.631 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000831000554 601496622 /nfs/dbraw/zinc/49/66/22/601496622.db2.gz HBEPRVBBYQLGTI-MRVPVSSYSA-N -1 0 307.306 -0.118 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CCn3cnnc3C2)CC1 ZINC000833202195 601515037 /nfs/dbraw/zinc/51/50/37/601515037.db2.gz VAKIRZSWMUGENW-UHFFFAOYSA-N -1 0 300.340 -0.322 20 0 DBADRM Cn1cc(/C=C\C(=O)N[C@@H](CC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000767077354 601520289 /nfs/dbraw/zinc/52/02/89/601520289.db2.gz PGLVJSGVPHDEGR-GZTOBOFZSA-N -1 0 321.333 -0.533 20 0 DBADRM C[C@H]1CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@H]1C(=O)[O-] ZINC000828466007 601529895 /nfs/dbraw/zinc/52/98/95/601529895.db2.gz ZZBPUEWYCDHDFW-JGVFFNPUSA-N -1 0 321.337 -0.887 20 0 DBADRM C[C@@H]1CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@H]1C(=O)[O-] ZINC000828466004 601529930 /nfs/dbraw/zinc/52/99/30/601529930.db2.gz ZZBPUEWYCDHDFW-HTQZYQBOSA-N -1 0 321.337 -0.887 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000833236226 601550681 /nfs/dbraw/zinc/55/06/81/601550681.db2.gz ABXITXDSQXKHOH-GHMZBOCLSA-N -1 0 318.395 -0.381 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)CN2C[C@H](O)C[C@H](O)C2)n1 ZINC000833268694 601557567 /nfs/dbraw/zinc/55/75/67/601557567.db2.gz FBAGJTMXJDMIRH-DTORHVGOSA-N -1 0 315.351 -0.864 20 0 DBADRM CCN(CC(=O)[O-])C(=O)c1cc(OC)c(S(N)(=O)=O)s1 ZINC000829628688 601558497 /nfs/dbraw/zinc/55/84/97/601558497.db2.gz UKALFQXDNDSJPN-UHFFFAOYSA-N -1 0 322.364 -0.049 20 0 DBADRM O=C(CN1CCOC[C@H]1C(=O)[O-])Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000833109166 601558661 /nfs/dbraw/zinc/55/86/61/601558661.db2.gz KSOVHVXEXTYBPG-NSHDSACASA-N -1 0 320.305 -0.008 20 0 DBADRM Cc1oc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000262839330 601559015 /nfs/dbraw/zinc/55/90/15/601559015.db2.gz TTYIIVKCOMMIHT-LLVKDONJSA-N -1 0 320.298 -0.126 20 0 DBADRM COC(=O)[C@@H]1COCCN1CCCN1CCOC[C@H]1C(=O)[O-] ZINC000831119680 601560099 /nfs/dbraw/zinc/56/00/99/601560099.db2.gz QYXKYCMJMPDWFJ-RYUDHWBXSA-N -1 0 316.354 -0.964 20 0 DBADRM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)N1CCNC(=O)C1 ZINC000833358060 601567658 /nfs/dbraw/zinc/56/76/58/601567658.db2.gz AYRCFIFMWBHOHG-UHFFFAOYSA-N -1 0 319.726 -0.446 20 0 DBADRM NC(=O)c1ccccc1NC(=O)CN1CCO[C@H](CC(=O)[O-])C1 ZINC000320777924 601569442 /nfs/dbraw/zinc/56/94/42/601569442.db2.gz LXJBADKDRSUVJO-SNVBAGLBSA-N -1 0 321.333 -0.101 20 0 DBADRM Cc1nc2n(n1)CCN(S(=O)(=O)N(C)CCC(=O)[O-])C2 ZINC000833007451 601580447 /nfs/dbraw/zinc/58/04/47/601580447.db2.gz RFTBVDGVMDTJAA-UHFFFAOYSA-N -1 0 303.344 -0.947 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N(C)C2CCOCC2)C[C@H]1C(=O)[O-] ZINC000828471843 601589335 /nfs/dbraw/zinc/58/93/35/601589335.db2.gz OSBHZMRQUBVCQS-GXSJLCMTSA-N -1 0 306.384 -0.006 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000831155031 601589983 /nfs/dbraw/zinc/58/99/83/601589983.db2.gz FFJFKJLEZKOHJT-DTWKUNHWSA-N -1 0 308.356 -0.621 20 0 DBADRM C[C@@H](OC(=O)c1cnn(C)c1N)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000827872878 601590002 /nfs/dbraw/zinc/59/00/02/601590002.db2.gz AKFUWXVEHUIMHI-MRVPVSSYSA-N -1 0 324.337 -0.129 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](CN2CCO[C@H](C(=O)[O-])C2)C1 ZINC000093698219 601593226 /nfs/dbraw/zinc/59/32/26/601593226.db2.gz ZTKUQHFGZIMPBR-MNOVXSKESA-N -1 0 306.384 -0.557 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](CN2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC000225318245 601597384 /nfs/dbraw/zinc/59/73/84/601597384.db2.gz PSXLBDQHGBGJII-RYUDHWBXSA-N -1 0 320.411 -0.167 20 0 DBADRM Cn1nc(C(=O)N2CCOC[C@H]2C(=O)[O-])c2ccccc2c1=O ZINC000767057772 601606401 /nfs/dbraw/zinc/60/64/01/601606401.db2.gz FIBBKBOYXVFCPF-NSHDSACASA-N -1 0 317.301 -0.141 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N2CCOC[C@H]2C(=O)[O-])CC1 ZINC000262192100 601609281 /nfs/dbraw/zinc/60/92/81/601609281.db2.gz RDPPEXAXRWQKMU-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM O=C(CSCC(=O)N1CCOCC1)N[C@@H](C(=O)[O-])C1CC1 ZINC000054501028 601630938 /nfs/dbraw/zinc/63/09/38/601630938.db2.gz QLOQXHUXTVOJBK-GFCCVEGCSA-N -1 0 316.379 -0.442 20 0 DBADRM C[C@@H]1CN(C(=O)CS(=O)(=O)CCCC(=O)[O-])C[C@H](C)O1 ZINC000828341047 601639677 /nfs/dbraw/zinc/63/96/77/601639677.db2.gz MZJRKWARKGUXBU-AOOOYVTPSA-N -1 0 307.368 -0.098 20 0 DBADRM C[C@H]1CN(C(=O)NCCCN2C(=O)CCC2=O)C[C@H]1C(=O)[O-] ZINC000828354094 601660140 /nfs/dbraw/zinc/66/01/40/601660140.db2.gz FRJNTFIAVRVZSV-VHSXEESVSA-N -1 0 311.338 -0.112 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000767213234 601660547 /nfs/dbraw/zinc/66/05/47/601660547.db2.gz CXOZLHTUVNQIMT-KWQFWETISA-N -1 0 308.331 -0.564 20 0 DBADRM NC(=O)C[C@H](NC(=O)CCSCC(=O)[O-])C1CCOCC1 ZINC000833080419 601664108 /nfs/dbraw/zinc/66/41/08/601664108.db2.gz PSVHDBNYVHVHQF-JTQLQIEISA-N -1 0 318.395 -0.019 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000833086785 601666249 /nfs/dbraw/zinc/66/62/49/601666249.db2.gz SQDKQGOQWSAUMB-LBPRGKRZSA-N -1 0 322.317 -0.134 20 0 DBADRM CC(C)(CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400113547 601667783 /nfs/dbraw/zinc/66/77/83/601667783.db2.gz GZJOPDPVSCQXAF-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM Cc1cc(C)nc(SCC(=O)OCC(=O)NCC(=O)[O-])n1 ZINC000820972837 601669675 /nfs/dbraw/zinc/66/96/75/601669675.db2.gz YXSIBLSJLJUIRG-UHFFFAOYSA-N -1 0 313.335 -0.070 20 0 DBADRM Cc1cc(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])[nH]n1 ZINC000832880280 601681507 /nfs/dbraw/zinc/68/15/07/601681507.db2.gz AUUGHUJEBOURTH-UHFFFAOYSA-N -1 0 310.354 -0.494 20 0 DBADRM COC[C@@](C)(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000262066407 601692035 /nfs/dbraw/zinc/69/20/35/601692035.db2.gz HURGCYCWBCYQPC-CQSZACIVSA-N -1 0 319.321 -0.189 20 0 DBADRM COC[C@@](C)(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)[O-] ZINC000393229497 601693652 /nfs/dbraw/zinc/69/36/52/601693652.db2.gz VOBUGFMPBWYXHV-GFCCVEGCSA-N -1 0 313.335 -0.432 20 0 DBADRM COC[C@@](C)(NC(=O)c1ccnc(-n2cncn2)c1)C(=O)[O-] ZINC000831627623 601693937 /nfs/dbraw/zinc/69/39/37/601693937.db2.gz ISUZPOVPEIOSKD-CYBMUJFWSA-N -1 0 305.294 -0.118 20 0 DBADRM COC[C@](C)(NC(=O)c1ccnc(-n2cncn2)c1)C(=O)[O-] ZINC000831627624 601694044 /nfs/dbraw/zinc/69/40/44/601694044.db2.gz ISUZPOVPEIOSKD-ZDUSSCGKSA-N -1 0 305.294 -0.118 20 0 DBADRM COC[C@](C)(NC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)[O-] ZINC000831608585 601698315 /nfs/dbraw/zinc/69/83/15/601698315.db2.gz VAXZTGWIKVYDPH-NSHDSACASA-N -1 0 310.372 -0.690 20 0 DBADRM COC[C@](C)(NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-] ZINC000831597752 601698406 /nfs/dbraw/zinc/69/84/06/601698406.db2.gz ZGMYDUBOVCLEOA-SDBXPKJASA-N -1 0 310.310 -0.632 20 0 DBADRM COC[C@@](C)(NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-] ZINC000262101765 601698408 /nfs/dbraw/zinc/69/84/08/601698408.db2.gz GTPBDKHFUWUHOQ-OAHLLOKOSA-N -1 0 308.334 -0.049 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1)C(C)C ZINC000831540980 601700679 /nfs/dbraw/zinc/70/06/79/601700679.db2.gz IKYAXIJIYNGMAF-UMNHJUIQSA-N -1 0 300.355 -0.047 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(C)(C)C(=O)[O-] ZINC000825871057 601707442 /nfs/dbraw/zinc/70/74/42/601707442.db2.gz LOAWUNZWNPMQBF-JTQLQIEISA-N -1 0 313.354 -0.660 20 0 DBADRM COC(=O)c1cn(CC(=O)NCC2(C(=O)[O-])CCCC2)nn1 ZINC000831462204 601707825 /nfs/dbraw/zinc/70/78/25/601707825.db2.gz ULSXNVAPEPXIJW-UHFFFAOYSA-N -1 0 310.310 -0.174 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000833092253 601709359 /nfs/dbraw/zinc/70/93/59/601709359.db2.gz VFTFNVOMDJVJHX-AMIZOPFISA-N -1 0 310.285 -0.212 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000223784788 601714335 /nfs/dbraw/zinc/71/43/35/601714335.db2.gz XYCQILCLHNCRDR-KXUCPTDWSA-N -1 0 304.368 -0.411 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)o1 ZINC000831033927 601717972 /nfs/dbraw/zinc/71/79/72/601717972.db2.gz HETMMLOBXRWQQD-JGVFFNPUSA-N -1 0 316.335 -0.020 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000315753808 601720039 /nfs/dbraw/zinc/72/00/39/601720039.db2.gz NKWKUEMUIMITEY-JTQLQIEISA-N -1 0 303.274 -0.151 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000088375078 601720930 /nfs/dbraw/zinc/72/09/30/601720930.db2.gz FHXHQVRQECTMDG-BDAKNGLRSA-N -1 0 323.392 -0.781 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000833193273 601721172 /nfs/dbraw/zinc/72/11/72/601721172.db2.gz JPIWGRVTPUEDOA-QMMMGPOBSA-N -1 0 323.334 -0.217 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CNC(=O)OCC(F)(F)F ZINC000833134635 601721209 /nfs/dbraw/zinc/72/12/09/601721209.db2.gz GEPOWVAUYUPBDW-ZCFIWIBFSA-N -1 0 314.216 -0.413 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])s1 ZINC000833089170 601721387 /nfs/dbraw/zinc/72/13/87/601721387.db2.gz WWCZSTHSKCCGFC-ZCFIWIBFSA-N -1 0 320.348 -0.679 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000832694431 601724199 /nfs/dbraw/zinc/72/41/99/601724199.db2.gz DFCILTLRIPVOCB-UTINFBMNSA-N -1 0 304.368 -0.459 20 0 DBADRM NC(=O)c1ccc(CNC(=O)Nc2ccn(CC(=O)[O-])n2)o1 ZINC000833085227 601725101 /nfs/dbraw/zinc/72/51/01/601725101.db2.gz JGTYSODKDKEKHV-UHFFFAOYSA-N -1 0 307.266 -0.019 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000833091642 601737136 /nfs/dbraw/zinc/73/71/36/601737136.db2.gz YOSOXXXRGBFSEV-MRVPVSSYSA-N -1 0 320.309 -0.889 20 0 DBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000833029775 601738184 /nfs/dbraw/zinc/73/81/84/601738184.db2.gz IRXRDQUYMXSTSX-AWEZNQCLSA-N -1 0 321.289 -0.192 20 0 DBADRM O=C([O-])CN(C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1 ZINC000833246073 601745721 /nfs/dbraw/zinc/74/57/21/601745721.db2.gz VLDNUOINKJCWHB-UHFFFAOYSA-N -1 0 303.274 -0.094 20 0 DBADRM Cn1cc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c(=O)n(C)c1=O ZINC000833041085 601754728 /nfs/dbraw/zinc/75/47/28/601754728.db2.gz CUJSHLRJJQOUGK-NSHDSACASA-N -1 0 323.349 -0.153 20 0 DBADRM CC[C@@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000818285751 601761276 /nfs/dbraw/zinc/76/12/76/601761276.db2.gz PSCSUUSKKRIATM-SNVBAGLBSA-N -1 0 316.335 -0.308 20 0 DBADRM CC(C)C(=O)NCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000393051803 601762887 /nfs/dbraw/zinc/76/28/87/601762887.db2.gz KKKFMKGQTZWTTE-SNVBAGLBSA-N -1 0 301.343 -0.356 20 0 DBADRM C[C@H]1CN(C(=S)NCCN2CCOCC2)C[C@@H]1C(=O)[O-] ZINC000828412806 601764911 /nfs/dbraw/zinc/76/49/11/601764911.db2.gz OKQCSTQWOCYDBT-QWRGUYRKSA-N -1 0 301.412 -0.154 20 0 DBADRM C[C@H](CNC(=O)N1CCO[C@H](CC(=O)[O-])C1)N1CCOCC1 ZINC000827477424 601765165 /nfs/dbraw/zinc/76/51/65/601765165.db2.gz KAAGKDUUWDOVNB-VXGBXAGGSA-N -1 0 315.370 -0.408 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000262165468 601766352 /nfs/dbraw/zinc/76/63/52/601766352.db2.gz VRVCYJLNXIUORZ-NSHDSACASA-N -1 0 308.356 -0.982 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2ccc(-n3ccnc3)nn2)CCOC1 ZINC000833127627 601766659 /nfs/dbraw/zinc/76/66/59/601766659.db2.gz KRZHJFZDQQTLMV-CYBMUJFWSA-N -1 0 303.278 -0.364 20 0 DBADRM COCCn1cc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])cn1 ZINC000831800671 601767525 /nfs/dbraw/zinc/76/75/25/601767525.db2.gz QQGMWXWDMGZZER-UHFFFAOYSA-N -1 0 312.326 -0.305 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000830125537 601775541 /nfs/dbraw/zinc/77/55/41/601775541.db2.gz FJHIICPRAFQBTG-VHSXEESVSA-N -1 0 322.383 -0.305 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)CCO1 ZINC000833215895 601777542 /nfs/dbraw/zinc/77/75/42/601777542.db2.gz ARMIAIZOFMJNJY-NXEZZACHSA-N -1 0 309.326 -0.522 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)N[C@@H]2CCCn3ncnc32)CCO1 ZINC000833216845 601782160 /nfs/dbraw/zinc/78/21/60/601782160.db2.gz JLPUBCLADUWHHC-NXEZZACHSA-N -1 0 309.326 -0.002 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)N[C@@H]2CCCn3ncnc32)CCO1 ZINC000833216849 601782227 /nfs/dbraw/zinc/78/22/27/601782227.db2.gz JLPUBCLADUWHHC-VHSXEESVSA-N -1 0 309.326 -0.002 20 0 DBADRM CC(=O)NC[C@H]1CCCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC000825870837 601782383 /nfs/dbraw/zinc/78/23/83/601782383.db2.gz GJDREGCWBDVMGE-GXSJLCMTSA-N -1 0 306.384 -0.115 20 0 DBADRM C[C@H](CS(=O)(=O)NCCc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000827562693 601785633 /nfs/dbraw/zinc/78/56/33/601785633.db2.gz DEUBNIKCQXSVDM-SECBINFHSA-N -1 0 314.363 -0.032 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CSC[C@@H]1C(=O)N(C)C)C(=O)[O-] ZINC000827547689 601785827 /nfs/dbraw/zinc/78/58/27/601785827.db2.gz VRTBHLQHLDIBMR-JGVFFNPUSA-N -1 0 310.397 -0.500 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1CC2(CC1=O)CCOCC2 ZINC000831170565 601785922 /nfs/dbraw/zinc/78/59/22/601785922.db2.gz QNFMMMFDNCCUPL-UHFFFAOYSA-N -1 0 314.338 -0.467 20 0 DBADRM C[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])[C@@H](C)N1CCOCC1 ZINC000827553485 601788080 /nfs/dbraw/zinc/78/80/80/601788080.db2.gz NUQLJJKXRUKVTK-GMTAPVOTSA-N -1 0 308.400 -0.264 20 0 DBADRM CCOC(=O)[C@@H]1CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CCO1 ZINC000829838486 601794409 /nfs/dbraw/zinc/79/44/09/601794409.db2.gz XUNWEQUBAGHWOP-BDAKNGLRSA-N -1 0 309.340 -0.699 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@H]1CN1CCOCC1)C(=O)[O-] ZINC000827543210 601795746 /nfs/dbraw/zinc/79/57/46/601795746.db2.gz ZYAJJSXDZREJNZ-NEPJUHHUSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@H](N2CCOCC2)C1)C(=O)[O-] ZINC000827542295 601795798 /nfs/dbraw/zinc/79/57/98/601795798.db2.gz SHZODOSYEMMZMN-MNOVXSKESA-N -1 0 306.384 -0.557 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCN(C2CCOCC2)CC1)C(=O)[O-] ZINC000827547825 601798174 /nfs/dbraw/zinc/79/81/74/601798174.db2.gz XDGYVGOWSGLQDV-NSHDSACASA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@@H](CS(=O)(=O)NCCCNC(=O)C1CCC1)C(=O)[O-] ZINC000827557899 601798584 /nfs/dbraw/zinc/79/85/84/601798584.db2.gz IIBTWHGGZJBOCC-VIFPVBQESA-N -1 0 306.384 -0.067 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C1=O ZINC000827553332 601798665 /nfs/dbraw/zinc/79/86/65/601798665.db2.gz MVHWWBFLJYTPPU-HTQZYQBOSA-N -1 0 306.340 -0.838 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)C[C@H](C)C(=O)OC ZINC000831584925 601799292 /nfs/dbraw/zinc/79/92/92/601799292.db2.gz ISQQALNHVVVMFJ-GZMMTYOYSA-N -1 0 311.356 -0.405 20 0 DBADRM COC(=O)C[C@H]1CN(S(=O)(=O)C[C@H](C)C(=O)[O-])CCO1 ZINC000831148760 601800043 /nfs/dbraw/zinc/80/00/43/601800043.db2.gz YSQGMSAAAVBYDX-IUCAKERBSA-N -1 0 309.340 -0.699 20 0 DBADRM C[C@@H]1CN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C(=O)[O-] ZINC000828333301 601800801 /nfs/dbraw/zinc/80/08/01/601800801.db2.gz GVFIXBGBGCBFTA-MXWKQRLJSA-N -1 0 318.395 -0.716 20 0 DBADRM COC[C@](C)(NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC000829958476 601804424 /nfs/dbraw/zinc/80/44/24/601804424.db2.gz LUEZMUNSDMSFLO-NSHDSACASA-N -1 0 310.372 -0.579 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)OC ZINC000831631268 601805947 /nfs/dbraw/zinc/80/59/47/601805947.db2.gz FIIIKYSNAZKCMK-LLVKDONJSA-N -1 0 320.323 -0.431 20 0 DBADRM CCCCS(=O)(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000829431165 601808309 /nfs/dbraw/zinc/80/83/09/601808309.db2.gz WVSMNORWXZPCIY-UHFFFAOYSA-N -1 0 313.397 -0.262 20 0 DBADRM CCOC(=O)/C=C\Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000829838263 601810874 /nfs/dbraw/zinc/81/08/74/601810874.db2.gz USXPHLFFHBBQMO-ARJAWSKDSA-N -1 0 306.278 -0.203 20 0 DBADRM CC[C@@H]1CC(=O)N(CN(CCN2CCOCC2)CC(=O)[O-])C1 ZINC000829075898 601811546 /nfs/dbraw/zinc/81/15/46/601811546.db2.gz XODQNFYNMOMUBC-CYBMUJFWSA-N -1 0 313.398 -0.079 20 0 DBADRM Cn1cc(C(=O)N2CCC(CCC(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000833041696 601816767 /nfs/dbraw/zinc/81/67/67/601816767.db2.gz ODHGQPUNCHTIDQ-UHFFFAOYSA-N -1 0 323.349 -0.199 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC(NC(=O)COC)CC1 ZINC000739523244 601851304 /nfs/dbraw/zinc/85/13/04/601851304.db2.gz JSGORWNDXIMCSU-JTQLQIEISA-N -1 0 301.343 -0.214 20 0 DBADRM CC(C)Cn1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000817906596 601855909 /nfs/dbraw/zinc/85/59/09/601855909.db2.gz REOMACGRLMMULV-NSHDSACASA-N -1 0 324.337 -0.210 20 0 DBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000833080296 601857112 /nfs/dbraw/zinc/85/71/12/601857112.db2.gz NABYPCOFCGUTQA-SSDOTTSWSA-N -1 0 323.280 -0.204 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)C(=O)[O-] ZINC000827466175 601858699 /nfs/dbraw/zinc/85/86/99/601858699.db2.gz IJHMCVVYPDSFDY-GXSJLCMTSA-N -1 0 324.337 -0.163 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000737735905 601858799 /nfs/dbraw/zinc/85/87/99/601858799.db2.gz MNRWHPPPFIRKRF-NSHDSACASA-N -1 0 301.343 -0.404 20 0 DBADRM CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1=O ZINC000830946039 601864582 /nfs/dbraw/zinc/86/45/82/601864582.db2.gz FDSFKUHFOCXGHI-UHFFFAOYSA-N -1 0 323.280 -0.237 20 0 DBADRM COCc1nn(CC(=O)NC2(C(=O)[O-])CCCCC2)c(=O)o1 ZINC000831831276 601869559 /nfs/dbraw/zinc/86/95/59/601869559.db2.gz HSNFGGNEAPJZMZ-UHFFFAOYSA-N -1 0 313.310 -0.114 20 0 DBADRM Cn1nnnc1SCCC(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000740304176 601876699 /nfs/dbraw/zinc/87/66/99/601876699.db2.gz JIHWOTLIRIMWTC-QMMMGPOBSA-N -1 0 314.371 -0.192 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCc2ccncc2)cn1 ZINC000048261351 601883948 /nfs/dbraw/zinc/88/39/48/601883948.db2.gz YAITUSXOCGOLFZ-UHFFFAOYSA-N -1 0 310.335 -0.116 20 0 DBADRM CN(C)c1nc(N)nc(CN2CCSC[C@@H]2CC(=O)[O-])n1 ZINC000830647764 601888323 /nfs/dbraw/zinc/88/83/23/601888323.db2.gz VQORZGOPXFZFPX-QMMMGPOBSA-N -1 0 312.399 -0.088 20 0 DBADRM COC(=O)CCNC(=O)CN1CCSC[C@H]1CC(=O)[O-] ZINC000831159611 601892965 /nfs/dbraw/zinc/89/29/65/601892965.db2.gz BGPCXVLZFQGGRZ-SECBINFHSA-N -1 0 304.368 -0.442 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])ccc2=O)C1 ZINC000825871193 601897301 /nfs/dbraw/zinc/89/73/01/601897301.db2.gz NHKFKPWMDSQABH-GFCCVEGCSA-N -1 0 321.333 -0.326 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)NCC2(C(=O)[O-])CCCC2)O1 ZINC000833082830 601898042 /nfs/dbraw/zinc/89/80/42/601898042.db2.gz RIRVQYCVGGJSQI-UWVGGRQHSA-N -1 0 313.354 -0.037 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCc2ccc(CO)c(F)c2)nn1 ZINC000833121156 601900470 /nfs/dbraw/zinc/90/04/70/601900470.db2.gz XSRFPDPCLHTEDP-UHFFFAOYSA-N -1 0 308.269 -0.076 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)NCCCCCC(=O)[O-])O1 ZINC000833081541 601908837 /nfs/dbraw/zinc/90/88/37/601908837.db2.gz IKKWEPOZWGGARI-UWVGGRQHSA-N -1 0 301.343 -0.037 20 0 DBADRM CC(C)N1C(=O)C(=O)N(CN2CC[C@H](CNC(=O)[O-])C2)C1=O ZINC000738850580 601914290 /nfs/dbraw/zinc/91/42/90/601914290.db2.gz AUBIWCVOGPULHK-SECBINFHSA-N -1 0 312.326 -0.267 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCCN1CCCS1(=O)=O ZINC000740441189 601934607 /nfs/dbraw/zinc/93/46/07/601934607.db2.gz WOOPWGVXFCOOIV-MRVPVSSYSA-N -1 0 323.396 -0.809 20 0 DBADRM O=C([O-])NC1(C(=O)NCCN2CCCS2(=O)=O)CCCC1 ZINC000740542566 601935045 /nfs/dbraw/zinc/93/50/45/601935045.db2.gz KBEQOPXFQONTRJ-UHFFFAOYSA-N -1 0 319.383 -0.282 20 0 DBADRM CN1C(=O)N[C@@]2(CCN(C(=O)C3(NC(=O)[O-])CCCC3)C2)C1=O ZINC000739727165 601953470 /nfs/dbraw/zinc/95/34/70/601953470.db2.gz JCSHEGOYSXFNBB-CQSZACIVSA-N -1 0 324.337 -0.281 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)O1 ZINC000833082881 601961487 /nfs/dbraw/zinc/96/14/87/601961487.db2.gz SAZRPLZYFBOOEM-NKWVEPMBSA-N -1 0 318.307 -0.711 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)O1 ZINC000833080998 601961533 /nfs/dbraw/zinc/96/15/33/601961533.db2.gz DSOPVFMDAMZIGB-MUWHJKNJSA-N -1 0 317.323 -0.976 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)NCCCN1CCCS1(=O)=O ZINC000739312272 601962545 /nfs/dbraw/zinc/96/25/45/601962545.db2.gz GLWOIUJWKVVHHA-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM C[C@@H](NC(=O)CN1CCC[C@@H](N(C)C(=O)[O-])C1)C(=O)N(C)C ZINC000738960986 601966799 /nfs/dbraw/zinc/96/67/99/601966799.db2.gz KAEJXOBUCNQCCX-GHMZBOCLSA-N -1 0 314.386 -0.347 20 0 DBADRM C[C@H](NC(=O)CN1CCC[C@@H](N(C)C(=O)[O-])C1)C(=O)N(C)C ZINC000738960992 601967332 /nfs/dbraw/zinc/96/73/32/601967332.db2.gz KAEJXOBUCNQCCX-WDEREUQCSA-N -1 0 314.386 -0.347 20 0 DBADRM COC(=O)CCNC(=O)CN1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739761623 601977297 /nfs/dbraw/zinc/97/72/97/601977297.db2.gz PETAVHRTTTXOFL-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)[C@@H](C)C1 ZINC000825841873 602000287 /nfs/dbraw/zinc/00/02/87/602000287.db2.gz WEBYAJJEOMYLHR-QMMMGPOBSA-N -1 0 315.351 -0.046 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC000833202246 602009418 /nfs/dbraw/zinc/00/94/18/602009418.db2.gz WCUWYEAGKDJMGJ-VIFPVBQESA-N -1 0 318.351 -0.293 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N2CCN3C(=O)OC[C@H]3C2)CC1 ZINC000833202245 602009644 /nfs/dbraw/zinc/00/96/44/602009644.db2.gz WCUWYEAGKDJMGJ-SECBINFHSA-N -1 0 318.351 -0.293 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)CN(C)S(C)(=O)=O ZINC000738998949 602012372 /nfs/dbraw/zinc/01/23/72/602012372.db2.gz FDHUNPVRVAMHQV-UWVGGRQHSA-N -1 0 321.399 -0.085 20 0 DBADRM Cc1cc(N2CCN3C(=O)OC[C@@H]3C2)n2nc(C(=O)[O-])nc2n1 ZINC000832891023 602014435 /nfs/dbraw/zinc/01/44/35/602014435.db2.gz IEZHGBOSICUSMR-QMMMGPOBSA-N -1 0 318.293 -0.228 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000823842260 602029051 /nfs/dbraw/zinc/02/90/51/602029051.db2.gz KMNOAMROIQNRLF-CABZTGNLSA-N -1 0 306.384 -0.117 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCN2C(=O)OC[C@@H]2C1)C(=O)[O-] ZINC000826786517 602030031 /nfs/dbraw/zinc/03/00/31/602030031.db2.gz OKSGCPIOHJVWIC-WDEREUQCSA-N -1 0 313.354 -0.262 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCN2C(=O)OC[C@H]2C1)C(=O)[O-] ZINC000826786515 602030231 /nfs/dbraw/zinc/03/02/31/602030231.db2.gz OKSGCPIOHJVWIC-MNOVXSKESA-N -1 0 313.354 -0.262 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1=O ZINC000833056352 602045095 /nfs/dbraw/zinc/04/50/95/602045095.db2.gz OQUNESQAOJOPLE-AWEZNQCLSA-N -1 0 307.306 -0.353 20 0 DBADRM O=C([O-])N1CCC(CNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000740415587 602053675 /nfs/dbraw/zinc/05/36/75/602053675.db2.gz IVMYAGMLKHNKMW-SNVBAGLBSA-N -1 0 319.383 -0.137 20 0 DBADRM CNC(=O)CN1CCN(C(=O)CCN(C(=O)[O-])C(C)C)CC1 ZINC000739739368 602062688 /nfs/dbraw/zinc/06/26/88/602062688.db2.gz JEUJDPKMPONMCY-UHFFFAOYSA-N -1 0 314.386 -0.345 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)O1 ZINC000821345233 602068477 /nfs/dbraw/zinc/06/84/77/602068477.db2.gz PVLJRKFKEUCXOF-WFBLGPOFSA-N -1 0 313.354 -0.038 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NCCN(C(=O)[O-])C1CC1 ZINC000739514310 602075217 /nfs/dbraw/zinc/07/52/17/602075217.db2.gz HTHCFKQDZWSBBQ-UHFFFAOYSA-N -1 0 322.387 -0.633 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000827263693 602076227 /nfs/dbraw/zinc/07/62/27/602076227.db2.gz SNEGUZTXMSFGLN-GFCCVEGCSA-N -1 0 311.382 -0.136 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000827263694 602076334 /nfs/dbraw/zinc/07/63/34/602076334.db2.gz SNEGUZTXMSFGLN-LBPRGKRZSA-N -1 0 311.382 -0.136 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739516795 602090627 /nfs/dbraw/zinc/09/06/27/602090627.db2.gz VFZYRVYHEDEGCA-SECBINFHSA-N -1 0 322.387 -0.775 20 0 DBADRM C[C@@H](NC(=O)NCCS(N)(=O)=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738973780 602098455 /nfs/dbraw/zinc/09/84/55/602098455.db2.gz BFZWGHDZVBUAJR-RKDXNWHRSA-N -1 0 322.387 -0.647 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000827256176 602099969 /nfs/dbraw/zinc/09/99/69/602099969.db2.gz IHLTWXXCTGYHSE-DTWKUNHWSA-N -1 0 307.372 -0.871 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737544830 602116746 /nfs/dbraw/zinc/11/67/46/602116746.db2.gz ITJKCPWDDHCLRG-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NC[C@H]2COCCO2)c1 ZINC000738620616 602123282 /nfs/dbraw/zinc/12/32/82/602123282.db2.gz WCFWXBMRANNTAV-LBPRGKRZSA-N -1 0 322.317 -0.216 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000827256597 602124161 /nfs/dbraw/zinc/12/41/61/602124161.db2.gz JITLVAKTULLNHJ-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM Cn1cc([C@@]2(C)CN(Cn3cnc(C(=O)[O-])n3)CCO2)cn1 ZINC000833042911 602124624 /nfs/dbraw/zinc/12/46/24/602124624.db2.gz DURSZTAGOGVYSO-CYBMUJFWSA-N -1 0 306.326 -0.085 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)COC)CC1 ZINC000739229957 602127961 /nfs/dbraw/zinc/12/79/61/602127961.db2.gz IVUUXNYSMHRQMY-PWSUYJOCSA-N -1 0 315.370 -0.014 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)COC)CC1 ZINC000739229954 602127984 /nfs/dbraw/zinc/12/79/84/602127984.db2.gz IVUUXNYSMHRQMY-JQWIXIFHSA-N -1 0 315.370 -0.014 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)[C@@H]1CCCOC1 ZINC000739620142 602133544 /nfs/dbraw/zinc/13/35/44/602133544.db2.gz PJKUAYVRZYKLEK-LLVKDONJSA-N -1 0 313.354 -0.306 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)CC[C@H]1CCCO1 ZINC000833208236 602142822 /nfs/dbraw/zinc/14/28/22/602142822.db2.gz XTLFYMSIRPACEE-ZJUUUORDSA-N -1 0 320.367 -0.840 20 0 DBADRM CCS(=O)(=O)CCNC(=O)C1(OC)CCN(C(=O)[O-])CC1 ZINC000739514831 602156361 /nfs/dbraw/zinc/15/63/61/602156361.db2.gz JRRLARKDHKHYAI-UHFFFAOYSA-N -1 0 322.383 -0.304 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000827317753 602166624 /nfs/dbraw/zinc/16/66/24/602166624.db2.gz OFYCAMWFUCEYBU-JTQLQIEISA-N -1 0 324.337 -0.209 20 0 DBADRM CCNC(=O)N1CC[C@@H](NS(=O)(=O)CCCC(=O)[O-])C1 ZINC000829795550 602169471 /nfs/dbraw/zinc/16/94/71/602169471.db2.gz WYOGIFUJTRJURT-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000827257136 602184791 /nfs/dbraw/zinc/18/47/91/602184791.db2.gz LLCBNRJEFZHDNA-ITMYJUKJSA-N -1 0 311.338 -0.066 20 0 DBADRM Cn1nc2c(c1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])CCCC2 ZINC000833060786 602186161 /nfs/dbraw/zinc/18/61/61/602186161.db2.gz WKEDCNHGFYVDOL-NSHDSACASA-N -1 0 320.349 -0.286 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CCN(CC(=O)NC)CC1 ZINC000739286428 602187453 /nfs/dbraw/zinc/18/74/53/602187453.db2.gz OWPICOMZBSXTGZ-AWEZNQCLSA-N -1 0 314.386 -0.297 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000827279520 602187542 /nfs/dbraw/zinc/18/75/42/602187542.db2.gz CYILQQPUHKSYAB-UTLUCORTSA-N -1 0 306.384 -0.117 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000740636610 602188059 /nfs/dbraw/zinc/18/80/59/602188059.db2.gz RIFSBMZUJCLBFT-JTQLQIEISA-N -1 0 324.337 -0.567 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000740369411 602188065 /nfs/dbraw/zinc/18/80/65/602188065.db2.gz XTPSOGQFIANPEE-JTQLQIEISA-N -1 0 324.337 -0.425 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000739578705 602189391 /nfs/dbraw/zinc/18/93/91/602189391.db2.gz LNFZEEHTMCUCEA-SNVBAGLBSA-N -1 0 324.337 -0.473 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000738856156 602189479 /nfs/dbraw/zinc/18/94/79/602189479.db2.gz UZYBXVMWIDPHCS-UHFFFAOYSA-N -1 0 300.359 -0.735 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cn1c2cnccc2n(C)c1=O ZINC000831170549 602193053 /nfs/dbraw/zinc/19/30/53/602193053.db2.gz PVZNMCOAQGAYIX-UHFFFAOYSA-N -1 0 308.294 -0.748 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)Oc1cccc(C(=O)NCC(N)=O)c1 ZINC000827349974 602193438 /nfs/dbraw/zinc/19/34/38/602193438.db2.gz UWNGDAWJNFLXHX-MRVPVSSYSA-N -1 0 308.290 -0.082 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)Oc1ccc(C(=O)NCC(N)=O)cc1 ZINC000827349761 602193526 /nfs/dbraw/zinc/19/35/26/602193526.db2.gz SQTOEJPOVXHEJR-QMMMGPOBSA-N -1 0 308.290 -0.082 20 0 DBADRM CN1CCO[C@@H]2CN(C(=O)NC3CCN(C(=O)[O-])CC3)C[C@H]21 ZINC000830964640 602196164 /nfs/dbraw/zinc/19/61/64/602196164.db2.gz LPCVXLCMDABTRC-VXGBXAGGSA-N -1 0 312.370 -0.147 20 0 DBADRM CN(CC(=O)OCCCn1cnc2c1ncnc2N)C(=O)[O-] ZINC000739632024 602203965 /nfs/dbraw/zinc/20/39/65/602203965.db2.gz ADPKVCKCFOMUNT-UHFFFAOYSA-N -1 0 308.298 -0.048 20 0 DBADRM CN(CC(=O)OCC(=O)NCC(=O)NC(C)(C)C)C(=O)[O-] ZINC000739630663 602204973 /nfs/dbraw/zinc/20/49/73/602204973.db2.gz ITUMXLPZWZYJIG-UHFFFAOYSA-N -1 0 303.315 -0.830 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000827292092 602205211 /nfs/dbraw/zinc/20/52/11/602205211.db2.gz OXLCDQSJHHDDGF-BBBLOLIVSA-N -1 0 306.384 -0.069 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)COC(=O)CN(C)C(=O)[O-] ZINC000739806081 602208868 /nfs/dbraw/zinc/20/88/68/602208868.db2.gz MKRHCVXXXHYWTM-SSDOTTSWSA-N -1 0 305.287 -1.000 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)OCCN1C(=O)CNC1=O ZINC000739237638 602213983 /nfs/dbraw/zinc/21/39/83/602213983.db2.gz TYKXIVSGKOXKHT-APPZFPTMSA-N -1 0 301.299 -0.236 20 0 DBADRM CS(=O)(=O)c1cc(NC(=O)NCCO)cc(C(=O)[O-])c1 ZINC000832713234 602215699 /nfs/dbraw/zinc/21/56/99/602215699.db2.gz FCXIVMIRHYOCAH-UHFFFAOYSA-N -1 0 302.308 -0.098 20 0 DBADRM O=C([O-])NCCOC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000739974278 602217717 /nfs/dbraw/zinc/21/77/17/602217717.db2.gz WVVZVWHJHNASDR-UHFFFAOYSA-N -1 0 307.262 -0.087 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000739299684 602219567 /nfs/dbraw/zinc/21/95/67/602219567.db2.gz WYQBLKXQNFZHJH-ZDUSSCGKSA-N -1 0 315.326 -0.686 20 0 DBADRM Cn1cc([C@@]2(C)CN(CCC(=O)NCC(=O)[O-])CCO2)cn1 ZINC000833043353 602236620 /nfs/dbraw/zinc/23/66/20/602236620.db2.gz OLVSVVBWXTVUTF-CQSZACIVSA-N -1 0 310.354 -0.442 20 0 DBADRM CN1CCN(C(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)CC1 ZINC000739735787 602248689 /nfs/dbraw/zinc/24/86/89/602248689.db2.gz UTUBNFFNOXOMQA-UHFFFAOYSA-N -1 0 322.369 -0.019 20 0 DBADRM C[C@@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000818675204 602253526 /nfs/dbraw/zinc/25/35/26/602253526.db2.gz RPZAKTITXSVPKO-HRDYMLBCSA-N -1 0 302.327 -0.054 20 0 DBADRM CS(=O)(=O)c1cc(NC(=O)CC(N)=O)cc(C(=O)[O-])c1 ZINC000832709306 602256647 /nfs/dbraw/zinc/25/66/47/602256647.db2.gz KQUNFYDFVMRZDD-UHFFFAOYSA-N -1 0 300.292 -0.398 20 0 DBADRM CS(=O)(=O)N1CCN(CC2CCN(C(=O)[O-])CC2)CC1 ZINC000739989890 602256777 /nfs/dbraw/zinc/25/67/77/602256777.db2.gz DOSFGZFBMXZLSC-UHFFFAOYSA-N -1 0 305.400 -0.046 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)N1CCNC(=O)C1 ZINC000739011592 602264612 /nfs/dbraw/zinc/26/46/12/602264612.db2.gz QFAQZXVCWQVLDQ-WDEREUQCSA-N -1 0 312.370 -0.545 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)COC(=O)[C@@H](C)CC(=O)[O-] ZINC000831643160 602275224 /nfs/dbraw/zinc/27/52/24/602275224.db2.gz BZLSFLPBABRMNI-JGVFFNPUSA-N -1 0 304.299 -0.499 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCCCN1CCOC1=O ZINC000740426319 602278951 /nfs/dbraw/zinc/27/89/51/602278951.db2.gz DQXJRAYBJHSBNK-MRVPVSSYSA-N -1 0 303.340 -0.002 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC000829794949 602279601 /nfs/dbraw/zinc/27/96/01/602279601.db2.gz NTWYGECLNISVHV-VIFPVBQESA-N -1 0 324.341 -0.107 20 0 DBADRM CO[C@@H](C)CCNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739795428 602282525 /nfs/dbraw/zinc/28/25/25/602282525.db2.gz HZBSSHHCNCXLHU-JTQLQIEISA-N -1 0 316.358 -0.467 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000833178185 602297793 /nfs/dbraw/zinc/29/77/93/602297793.db2.gz CLRALZGYELAORT-RWMBFGLXSA-N -1 0 312.366 -0.343 20 0 DBADRM CN(CCNC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000739689453 602300363 /nfs/dbraw/zinc/30/03/63/602300363.db2.gz UUMOHXUWHKAHFR-UHFFFAOYSA-N -1 0 307.372 -0.616 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000738035770 602302163 /nfs/dbraw/zinc/30/21/63/602302163.db2.gz HJNPMHKIJWWKKO-NXEZZACHSA-N -1 0 300.311 -0.223 20 0 DBADRM CCN(CCNC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000739424556 602315585 /nfs/dbraw/zinc/31/55/85/602315585.db2.gz NTDIXXRAFWCXAS-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM O=C([O-])NCCNC(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000740663978 602321458 /nfs/dbraw/zinc/32/14/58/602321458.db2.gz YQSZVZVOGCDIJB-UHFFFAOYSA-N -1 0 321.337 -0.183 20 0 DBADRM C[C@H](CCNC(=S)NCCNS(C)(=O)=O)NC(=O)[O-] ZINC000738902613 602322688 /nfs/dbraw/zinc/32/26/88/602322688.db2.gz CZBWSCDKQAZSPS-SSDOTTSWSA-N -1 0 312.417 -0.954 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N1CCC(NC(=O)[O-])CC1 ZINC000739989580 602323092 /nfs/dbraw/zinc/32/30/92/602323092.db2.gz BTIKIXCYAGLCMJ-UHFFFAOYSA-N -1 0 324.428 -0.858 20 0 DBADRM CCC(=O)N1CC[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000828562420 602329223 /nfs/dbraw/zinc/32/92/23/602329223.db2.gz PCGQWWWAJDSBMF-SECBINFHSA-N -1 0 307.372 -0.762 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCCN(C)C(=O)[O-])CCO1 ZINC000739764991 602331217 /nfs/dbraw/zinc/33/12/17/602331217.db2.gz UKQKZRZIDPZVTA-VIFPVBQESA-N -1 0 303.315 -0.430 20 0 DBADRM CN(CC(=O)N(C)c1ncc(C(=O)[O-])s1)S(C)(=O)=O ZINC000830477738 602331648 /nfs/dbraw/zinc/33/16/48/602331648.db2.gz CYXPZBGOHCTKDI-UHFFFAOYSA-N -1 0 307.353 -0.305 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)NC[C@H](O)C2CC2)CC1 ZINC000740440159 602332835 /nfs/dbraw/zinc/33/28/35/602332835.db2.gz PVENWRYAWVAARQ-NSHDSACASA-N -1 0 300.359 -0.648 20 0 DBADRM CN(CCNC(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)C(=O)[O-] ZINC000739692131 602341328 /nfs/dbraw/zinc/34/13/28/602341328.db2.gz NPUUVEPEJAKRPY-UHFFFAOYSA-N -1 0 322.325 -0.273 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)NCCCNC(=O)[O-])n1cccn1 ZINC000738604979 602343932 /nfs/dbraw/zinc/34/39/32/602343932.db2.gz SRDXAUUFXMCREV-JTQLQIEISA-N -1 0 311.342 -0.324 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NCCCNC(=O)[O-])o1 ZINC000739611932 602348125 /nfs/dbraw/zinc/34/81/25/602348125.db2.gz RWWMRCRQBSHNCC-UHFFFAOYSA-N -1 0 319.339 -0.083 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000740010676 602348716 /nfs/dbraw/zinc/34/87/16/602348716.db2.gz MKDGMGUTYOBUED-YUMQZZPRSA-N -1 0 310.397 -0.321 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N(C)CC(=O)N1CCOCC1 ZINC000736359846 602349061 /nfs/dbraw/zinc/34/90/61/602349061.db2.gz MUGAIWDEMRXVTB-NSHDSACASA-N -1 0 301.343 -0.404 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000739304303 602359549 /nfs/dbraw/zinc/35/95/49/602359549.db2.gz FTIRQDZNDUWEGB-JTQLQIEISA-N -1 0 321.399 -0.037 20 0 DBADRM Cn1cc(NC(=O)NCCN2C(=O)CCC2=O)cc1C(=O)[O-] ZINC000833051374 602360073 /nfs/dbraw/zinc/36/00/73/602360073.db2.gz QLGKIXYICOFROT-UHFFFAOYSA-N -1 0 308.294 -0.006 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000830137038 602371195 /nfs/dbraw/zinc/37/11/95/602371195.db2.gz RDLGGIQWEPLVDZ-UHFFFAOYSA-N -1 0 318.355 -0.216 20 0 DBADRM Cn1cc(NC(=O)NCCNS(C)(=O)=O)cc1C(=O)[O-] ZINC000833051400 602372156 /nfs/dbraw/zinc/37/21/56/602372156.db2.gz RLKSDXDXUIHSAJ-UHFFFAOYSA-N -1 0 304.328 -0.606 20 0 DBADRM CS(=O)(=O)NCCNC(=O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000739998616 602372186 /nfs/dbraw/zinc/37/21/86/602372186.db2.gz ZNMZZYKSFCLQBZ-SNVBAGLBSA-N -1 0 315.351 -0.339 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000736363657 602373365 /nfs/dbraw/zinc/37/33/65/602373365.db2.gz PDCFBBSZPOFLCI-JTQLQIEISA-N -1 0 321.399 -0.228 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC ZINC000739307770 602386314 /nfs/dbraw/zinc/38/63/14/602386314.db2.gz AYUKGQFQHIAZPK-IUCAKERBSA-N -1 0 315.326 -0.687 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NCCCNC(=O)[O-])cn1C ZINC000739746700 602387889 /nfs/dbraw/zinc/38/78/89/602387889.db2.gz WICIXCATIQGRIU-UHFFFAOYSA-N -1 0 318.355 -0.679 20 0 DBADRM O=C([O-])NCCCNS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000740653099 602388497 /nfs/dbraw/zinc/38/84/97/602388497.db2.gz TYKSILMFWCYMON-UHFFFAOYSA-N -1 0 314.385 -0.859 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@H](O)c2ccccc2F)nn1 ZINC000833121801 602393441 /nfs/dbraw/zinc/39/34/41/602393441.db2.gz LYIOYAFWDQRCDX-NSHDSACASA-N -1 0 308.269 -0.035 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000736366501 602393538 /nfs/dbraw/zinc/39/35/38/602393538.db2.gz XWYCTOZFFJXJTD-UWVGGRQHSA-N -1 0 321.399 -0.181 20 0 DBADRM O=C([O-])NCCCNC(=O)NCC(=O)NCC(F)(F)F ZINC000740650650 602393705 /nfs/dbraw/zinc/39/37/05/602393705.db2.gz ALOSBPWIJLPCQW-UHFFFAOYSA-N -1 0 300.237 -0.378 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)NCCCNC(=O)[O-])C1 ZINC000739990563 602394217 /nfs/dbraw/zinc/39/42/17/602394217.db2.gz HMKWVYFSPQEPLL-SECBINFHSA-N -1 0 322.387 -0.633 20 0 DBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)NCCCNC(=O)[O-] ZINC000740234253 602406629 /nfs/dbraw/zinc/40/66/29/602406629.db2.gz WKPYVXWXLBQEJS-UHFFFAOYSA-N -1 0 321.341 -0.360 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC000739146543 602425590 /nfs/dbraw/zinc/42/55/90/602425590.db2.gz ATQSLXKIGKUJGY-VIFPVBQESA-N -1 0 310.310 -0.863 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)OCCNC(=O)[O-])C1 ZINC000737223231 602429164 /nfs/dbraw/zinc/42/91/64/602429164.db2.gz XZCDFCUXUCCDTR-VIFPVBQESA-N -1 0 308.356 -0.141 20 0 DBADRM CN(C)C(=O)CNC(=S)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739598386 602430255 /nfs/dbraw/zinc/43/02/55/602430255.db2.gz YVOFPJRMGJMZEW-VIFPVBQESA-N -1 0 302.400 -0.119 20 0 DBADRM CS(=O)(=O)CCNC(=S)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000738126744 602430297 /nfs/dbraw/zinc/43/02/97/602430297.db2.gz JDMCOBXYBUNYNK-MRVPVSSYSA-N -1 0 309.413 -0.363 20 0 DBADRM CS(=O)(=O)CCNC(=S)N1CCC(NC(=O)[O-])CC1 ZINC000739984871 602430562 /nfs/dbraw/zinc/43/05/62/602430562.db2.gz PYQAYPNHZYVNAZ-UHFFFAOYSA-N -1 0 309.413 -0.363 20 0 DBADRM CS(=O)(=O)CCNC(=S)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739981804 602430679 /nfs/dbraw/zinc/43/06/79/602430679.db2.gz BVJLJXQMNZKFCW-VIFPVBQESA-N -1 0 323.440 -0.115 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1CCN(C(=O)[O-])CC1 ZINC000737138135 602433652 /nfs/dbraw/zinc/43/36/52/602433652.db2.gz JUEXJAGDUCVABT-UHFFFAOYSA-N -1 0 308.356 -0.045 20 0 DBADRM O=C([O-])NCC1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC000740632747 602438159 /nfs/dbraw/zinc/43/81/59/602438159.db2.gz OKWGVVAZRXAZNN-UHFFFAOYSA-N -1 0 312.326 -0.566 20 0 DBADRM C[C@@](CNC(=O)[O-])(NC(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 ZINC000738926107 602441022 /nfs/dbraw/zinc/44/10/22/602441022.db2.gz QPODDVCVMGCWCP-ZDUSSCGKSA-N -1 0 310.310 -0.499 20 0 DBADRM CCN(CCNC(=O)NCCN1C(=O)CSC1=O)C(=O)[O-] ZINC000739430380 602441070 /nfs/dbraw/zinc/44/10/70/602441070.db2.gz DSSBFIJLESZBEK-UHFFFAOYSA-N -1 0 318.355 -0.019 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000738924648 602446153 /nfs/dbraw/zinc/44/61/53/602446153.db2.gz LCBCTUQEWQCZKN-UDIARPCQSA-N -1 0 324.337 -0.788 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)CNC(=O)[O-])o1 ZINC000739752803 602449655 /nfs/dbraw/zinc/44/96/55/602449655.db2.gz PGOMUIBWXRGXHV-SSDOTTSWSA-N -1 0 319.339 -0.084 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)CNC(=O)[O-])o1 ZINC000739752806 602449728 /nfs/dbraw/zinc/44/97/28/602449728.db2.gz PGOMUIBWXRGXHV-ZETCQYMHSA-N -1 0 319.339 -0.084 20 0 DBADRM O=C([O-])NCCNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000740659275 602450171 /nfs/dbraw/zinc/45/01/71/602450171.db2.gz JCXIEHMWFNAUML-VIFPVBQESA-N -1 0 314.323 -0.900 20 0 DBADRM O=C([O-])N1CC[C@@H](CCNC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000740499269 602457881 /nfs/dbraw/zinc/45/78/81/602457881.db2.gz FOQNVZIAZNBMOL-SNVBAGLBSA-N -1 0 319.383 -0.184 20 0 DBADRM O=C([O-])NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000740602183 602464567 /nfs/dbraw/zinc/46/45/67/602464567.db2.gz WVYKSGGIKNNLSX-UWVGGRQHSA-N -1 0 320.367 -0.551 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000738986241 602473589 /nfs/dbraw/zinc/47/35/89/602473589.db2.gz LQBYZSXTWFFOSV-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000739193341 602476373 /nfs/dbraw/zinc/47/63/73/602476373.db2.gz YQUQGUKQGAKNHN-UWVGGRQHSA-N -1 0 303.384 -0.124 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739838210 602486347 /nfs/dbraw/zinc/48/63/47/602486347.db2.gz OKIQPTUNAHSJIA-JTQLQIEISA-N -1 0 322.383 -0.494 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000736359925 602496378 /nfs/dbraw/zinc/49/63/78/602496378.db2.gz CQWVYEJZUJECCC-JTQLQIEISA-N -1 0 321.399 -0.194 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000738754769 602496447 /nfs/dbraw/zinc/49/64/47/602496447.db2.gz TWZDOXXDRBDDQX-UHFFFAOYSA-N -1 0 307.372 -0.440 20 0 DBADRM C[C@H](C(=O)N(C)CCN1CCN(C(=O)[O-])CC1)S(C)(=O)=O ZINC000738605493 602496082 /nfs/dbraw/zinc/49/60/82/602496082.db2.gz VYJGHTITTDMYGI-SNVBAGLBSA-N -1 0 321.399 -0.827 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000739306391 602496738 /nfs/dbraw/zinc/49/67/38/602496738.db2.gz LUNCPSOHDKNIRE-SNVBAGLBSA-N -1 0 321.399 -0.050 20 0 DBADRM Cn1cc(C(=O)N[C@](C)(CNC(=O)[O-])C2CC2)c(=O)[nH]c1=O ZINC000740280172 602506781 /nfs/dbraw/zinc/50/67/81/602506781.db2.gz JQPJNVDAVFXZIY-CYBMUJFWSA-N -1 0 310.310 -0.348 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@](C)(CNC(=O)[O-])C2CC2)C1=O ZINC000739723390 602507387 /nfs/dbraw/zinc/50/73/87/602507387.db2.gz LVPCMRKWRKHLKQ-CYBMUJFWSA-N -1 0 312.326 -0.567 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@H]2CCCCN2C(=O)[O-])CC1 ZINC000740333170 602513074 /nfs/dbraw/zinc/51/30/74/602513074.db2.gz BPGBJZQBVHDVGS-LLVKDONJSA-N -1 0 312.370 -0.462 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000738935754 602526145 /nfs/dbraw/zinc/52/61/45/602526145.db2.gz WQYNULHAINQNTI-ZETCQYMHSA-N -1 0 320.305 -0.056 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000738856149 602532599 /nfs/dbraw/zinc/53/25/99/602532599.db2.gz UZFOISAVBADIGP-JTQLQIEISA-N -1 0 300.359 -0.689 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)o1 ZINC000740341415 602534733 /nfs/dbraw/zinc/53/47/33/602534733.db2.gz SCUUVKAITKUEGQ-LURJTMIESA-N -1 0 303.296 -0.591 20 0 DBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740379436 602538644 /nfs/dbraw/zinc/53/86/44/602538644.db2.gz HOBVKNMOQPOEFT-DTWKUNHWSA-N -1 0 322.408 -0.225 20 0 DBADRM CC(=O)N1CCC(NC(=O)CN(C)[C@@H](C)CNC(=O)[O-])CC1 ZINC000738519461 602554103 /nfs/dbraw/zinc/55/41/03/602554103.db2.gz BGQBFSDXUZJXTL-JTQLQIEISA-N -1 0 314.386 -0.299 20 0 DBADRM CN1CCO[C@@H](CNC(=O)N2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000738019808 602554586 /nfs/dbraw/zinc/55/45/86/602554586.db2.gz AIQYLEUVXAOAHY-MNOVXSKESA-N -1 0 300.359 -0.241 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)CC(=O)NCC(=O)N1CCCC1 ZINC000738939144 602554805 /nfs/dbraw/zinc/55/48/05/602554805.db2.gz MSTRVORWTKTJCA-JTQLQIEISA-N -1 0 300.359 -0.687 20 0 DBADRM CN1CCO[C@H](CNC(=O)NCCN(C(=O)[O-])C2CC2)C1 ZINC000739745436 602555694 /nfs/dbraw/zinc/55/56/94/602555694.db2.gz VYWTZTOESAWQLW-LLVKDONJSA-N -1 0 300.359 -0.241 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)CC(=O)NC(=O)NCC(F)(F)F ZINC000738943165 602556046 /nfs/dbraw/zinc/55/60/46/602556046.db2.gz ZBMLYINLQNDCSG-LURJTMIESA-N -1 0 314.264 -0.038 20 0 DBADRM COCCN(C)S(=O)(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739814582 602563797 /nfs/dbraw/zinc/56/37/97/602563797.db2.gz UFIPHSMSOSGDTN-SNVBAGLBSA-N -1 0 309.388 -0.211 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000738939241 602565481 /nfs/dbraw/zinc/56/54/81/602565481.db2.gz DHKDVPNMIZRIEF-SSDOTTSWSA-N -1 0 318.355 -0.599 20 0 DBADRM CN(CC(=O)Nc1cccc(C(=O)NCC(N)=O)c1)C(=O)[O-] ZINC000739627559 602569225 /nfs/dbraw/zinc/56/92/25/602569225.db2.gz QNWGLLWQRWZBGD-UHFFFAOYSA-N -1 0 308.294 -0.550 20 0 DBADRM COC(=O)NCCC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739773953 602572542 /nfs/dbraw/zinc/57/25/42/602572542.db2.gz RJQQQWQDUXSMED-UHFFFAOYSA-N -1 0 316.358 -0.514 20 0 DBADRM CCN(CCNC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC000739434706 602573580 /nfs/dbraw/zinc/57/35/80/602573580.db2.gz CTPUTWOPSUYVOX-UHFFFAOYSA-N -1 0 318.355 -0.598 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NCCNC(=O)c2cccnc2)C1 ZINC000740442130 602585527 /nfs/dbraw/zinc/58/55/27/602585527.db2.gz RTAYOGJVHAYTGJ-LLVKDONJSA-N -1 0 321.337 -0.137 20 0 DBADRM CN1CCCC[C@@H]1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739728614 602589001 /nfs/dbraw/zinc/58/90/01/602589001.db2.gz RYNODTWPBMCKJF-LLVKDONJSA-N -1 0 312.370 -0.591 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)Cc1cccnc1 ZINC000739620420 602589137 /nfs/dbraw/zinc/58/91/37/602589137.db2.gz GELGCGXXQXSQCC-UHFFFAOYSA-N -1 0 320.349 -0.095 20 0 DBADRM Cc1nc(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c[nH]1 ZINC000740207393 602589328 /nfs/dbraw/zinc/58/93/28/602589328.db2.gz MQSRGEVPDLMGTO-SNVBAGLBSA-N -1 0 323.353 -0.046 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000740369147 602592683 /nfs/dbraw/zinc/59/26/83/602592683.db2.gz PJPSMXAUHGIMJC-SECBINFHSA-N -1 0 312.326 -0.566 20 0 DBADRM Cc1nc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC000740205831 602593993 /nfs/dbraw/zinc/59/39/93/602593993.db2.gz FEZCVJAFCVTUNF-SSDOTTSWSA-N -1 0 306.286 -0.824 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)NCCN(C)C(=O)[O-])n1 ZINC000739601048 602594893 /nfs/dbraw/zinc/59/48/93/602594893.db2.gz WYKDIYJFIDQMOR-UHFFFAOYSA-N -1 0 312.330 -0.297 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740342140 602596344 /nfs/dbraw/zinc/59/63/44/602596344.db2.gz YWFYFUPJALUUNO-SECBINFHSA-N -1 0 313.335 -0.184 20 0 DBADRM CCN(CCNC(=O)NCCS(=O)(=O)NC1CC1)C(=O)[O-] ZINC000739430966 602619062 /nfs/dbraw/zinc/61/90/62/602619062.db2.gz LAQRJLIKJVIYMK-UHFFFAOYSA-N -1 0 322.387 -0.633 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)N[C@H]2CCN(C(=O)[O-])C2)n1 ZINC000739599161 602603437 /nfs/dbraw/zinc/60/34/37/602603437.db2.gz GJKGNXBXIVXKPL-VIFPVBQESA-N -1 0 324.341 -0.155 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000738925436 602630885 /nfs/dbraw/zinc/63/08/85/602630885.db2.gz HPVJTYHXGZOINV-MRVPVSSYSA-N -1 0 324.403 -0.388 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000739652917 602608446 /nfs/dbraw/zinc/60/84/46/602608446.db2.gz XHZNJEAGLVOTDY-UWVGGRQHSA-N -1 0 319.383 -0.185 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000738927473 602614047 /nfs/dbraw/zinc/61/40/47/602614047.db2.gz NLSVZZRNAMPIPH-DTWKUNHWSA-N -1 0 307.372 -0.281 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CCO1 ZINC000739757362 602614912 /nfs/dbraw/zinc/61/49/12/602614912.db2.gz XGQWNYHLNRQENU-NXEZZACHSA-N -1 0 315.326 -0.288 20 0 DBADRM C[C@H](CNC(=O)N[C@H]1CCN(C(=O)[O-])C1)N1CCOCC1 ZINC000738917117 602615846 /nfs/dbraw/zinc/61/58/46/602615846.db2.gz BUUALRJFMRXGMA-MNOVXSKESA-N -1 0 300.359 -0.241 20 0 DBADRM C[C@@H](CNC(=O)N[C@H]1CCN(C(=O)[O-])C1)N1CCOCC1 ZINC000738917118 602616091 /nfs/dbraw/zinc/61/60/91/602616091.db2.gz BUUALRJFMRXGMA-QWRGUYRKSA-N -1 0 300.359 -0.241 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)NC[C@H]2CCCN2C(=O)[O-])cn1 ZINC000739749357 602617126 /nfs/dbraw/zinc/61/71/26/602617126.db2.gz NZSJECKEYZESIO-SNVBAGLBSA-N -1 0 324.341 -0.107 20 0 DBADRM CN(C(=O)NC[C@@H]1CCCN1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739575403 602617975 /nfs/dbraw/zinc/61/79/75/602617975.db2.gz IFSFUKIIHASQBR-UWVGGRQHSA-N -1 0 319.383 -0.043 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCc1cnn(C)c1 ZINC000739682675 602623060 /nfs/dbraw/zinc/62/30/60/602623060.db2.gz CCDVBFPGPTXQJN-UHFFFAOYSA-N -1 0 324.385 -0.143 20 0 DBADRM CC[C@@](C)(O)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739218703 602625937 /nfs/dbraw/zinc/62/59/37/602625937.db2.gz LNXALDFCOUEKHQ-CYBMUJFWSA-N -1 0 302.375 -0.258 20 0 DBADRM CN(CC(=O)NCC[C@@H]1CCCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000739623270 602631770 /nfs/dbraw/zinc/63/17/70/602631770.db2.gz LSDYXIRJBIVNPO-JTQLQIEISA-N -1 0 321.399 -0.226 20 0 DBADRM CCN(C(=O)N[C@@H]1CCN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000739383554 602633706 /nfs/dbraw/zinc/63/37/06/602633706.db2.gz XCMDUPSIRHFEQX-ZJUUUORDSA-N -1 0 319.383 -0.043 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739621557 602634606 /nfs/dbraw/zinc/63/46/06/602634606.db2.gz IWAGYWYNABOSAR-SNVBAGLBSA-N -1 0 314.342 -0.761 20 0 DBADRM CN1CCO[C@@H](CNC(=O)N2CC[C@@H](CNC(=O)[O-])C2)C1 ZINC000739746061 602638693 /nfs/dbraw/zinc/63/86/93/602638693.db2.gz ZKDYMYXNZJGEHY-QWRGUYRKSA-N -1 0 300.359 -0.384 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)NCC(=O)N1CCN(CC)CC1 ZINC000739315022 602640459 /nfs/dbraw/zinc/64/04/59/602640459.db2.gz PEPUZIXAEANQBS-LLVKDONJSA-N -1 0 314.386 -0.297 20 0 DBADRM COc1ncccc1NC(=O)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739986406 602649233 /nfs/dbraw/zinc/64/92/33/602649233.db2.gz XOWQZBBFTHBFTC-QMMMGPOBSA-N -1 0 308.294 -0.103 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)C1(NC(=O)[O-])CCCC1 ZINC000739458163 602653228 /nfs/dbraw/zinc/65/32/28/602653228.db2.gz CKALJDARBYILAX-UHFFFAOYSA-N -1 0 301.299 -0.044 20 0 DBADRM CCOC(=O)[C@H]1CSCCN1C(=O)COCCNC(=O)[O-] ZINC000739476353 602659779 /nfs/dbraw/zinc/65/97/79/602659779.db2.gz QVJDZCJSIGHYOR-SECBINFHSA-N -1 0 320.367 -0.222 20 0 DBADRM CC(C)(O)CNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000738758439 602655839 /nfs/dbraw/zinc/65/58/39/602655839.db2.gz UQEJIFRIBPAEGV-UHFFFAOYSA-N -1 0 302.375 -0.258 20 0 DBADRM O=C([O-])NCCOCC(=O)NCCc1nnc2ccccn21 ZINC000740664614 602658860 /nfs/dbraw/zinc/65/88/60/602658860.db2.gz GFUKFAQKJAWZKE-UHFFFAOYSA-N -1 0 307.310 -0.328 20 0 DBADRM CCCN(C(=O)COCCNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739345339 602659712 /nfs/dbraw/zinc/65/97/12/602659712.db2.gz RXEHIBRYYBAMOH-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM O=C([O-])NCCOCC(=O)NCCC(=O)N1CCCCC1 ZINC000740665001 602661839 /nfs/dbraw/zinc/66/18/39/602661839.db2.gz PFLXQTURGWIBDM-UHFFFAOYSA-N -1 0 301.343 -0.211 20 0 DBADRM CN(CCOC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000738002330 602662730 /nfs/dbraw/zinc/66/27/30/602662730.db2.gz QIDAIVDOZNOKPO-UHFFFAOYSA-N -1 0 308.356 -0.189 20 0 DBADRM CC(=O)N(C)C1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000738510477 602663306 /nfs/dbraw/zinc/66/33/06/602663306.db2.gz ZFBUGTVZGUMCJI-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000740663482 602663648 /nfs/dbraw/zinc/66/36/48/602663648.db2.gz IVFWRRZXXYBESF-SNVBAGLBSA-N -1 0 314.342 -0.713 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)Oc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000738995621 602664561 /nfs/dbraw/zinc/66/45/61/602664561.db2.gz OAQYHWPMRIFKGN-OIBJUYFYSA-N -1 0 321.289 -0.001 20 0 DBADRM CN(C)C(=O)[C@H]1CSCN1C(=O)COCCNC(=O)[O-] ZINC000739598457 602664756 /nfs/dbraw/zinc/66/47/56/602664756.db2.gz ZFOOWCSRWNDLAZ-MRVPVSSYSA-N -1 0 305.356 -0.740 20 0 DBADRM C[C@@H](NC(=O)COCCNC(=O)[O-])[C@@H](C)N1CCOCC1 ZINC000738965612 602665833 /nfs/dbraw/zinc/66/58/33/602665833.db2.gz RANLIGFCLFWPGF-GHMZBOCLSA-N -1 0 303.359 -0.504 20 0 DBADRM C[C@H](NC(=O)COCCNC(=O)[O-])[C@H](C)N1CCOCC1 ZINC000738965614 602665969 /nfs/dbraw/zinc/66/59/69/602665969.db2.gz RANLIGFCLFWPGF-QWRGUYRKSA-N -1 0 303.359 -0.504 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[O-])CC2)o1 ZINC000740336705 602666766 /nfs/dbraw/zinc/66/67/66/602666766.db2.gz MVEYMGKYNQKWNQ-UHFFFAOYSA-N -1 0 303.296 -0.637 20 0 DBADRM O=C([O-])NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000740668091 602666796 /nfs/dbraw/zinc/66/67/96/602666796.db2.gz LWOXTSOUJBKKJG-UHFFFAOYSA-N -1 0 314.367 -0.199 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000740667319 602667743 /nfs/dbraw/zinc/66/77/43/602667743.db2.gz LFTBJYJLVKOGFQ-LLVKDONJSA-N -1 0 312.326 -0.605 20 0 DBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)CNC(=O)[O-])C1 ZINC000738447425 602669176 /nfs/dbraw/zinc/66/91/76/602669176.db2.gz SKQKOGPIOGWUDC-VIFPVBQESA-N -1 0 306.322 -0.252 20 0 DBADRM CN(CCNC(=O)N1CCN(Cc2cnn(C)c2)CC1)C(=O)[O-] ZINC000739691562 602680446 /nfs/dbraw/zinc/68/04/46/602680446.db2.gz JHFGNMKQANIHBY-UHFFFAOYSA-N -1 0 324.385 -0.143 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)N[C@H]2CCCOC2)CC1 ZINC000740440113 602680734 /nfs/dbraw/zinc/68/07/34/602680734.db2.gz PDVNOBIQTXJJDS-NSHDSACASA-N -1 0 300.359 -0.240 20 0 DBADRM Cn1ccnc1CN1CCN(C(=O)NCCCNC(=O)[O-])CC1 ZINC000740300770 602680825 /nfs/dbraw/zinc/68/08/25/602680825.db2.gz UAUVPZWRJQDZNY-UHFFFAOYSA-N -1 0 324.385 -0.095 20 0 DBADRM CCOC[C@@H](O)CN1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000737161750 602684132 /nfs/dbraw/zinc/68/41/32/602684132.db2.gz JYCRLELIJCFVFI-NSHDSACASA-N -1 0 303.359 -0.862 20 0 DBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000737220828 602687359 /nfs/dbraw/zinc/68/73/59/602687359.db2.gz PFYAYEKWEYTNLF-UHFFFAOYSA-N -1 0 321.399 -0.131 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000739219554 602689792 /nfs/dbraw/zinc/68/97/92/602689792.db2.gz AAICRPSHQDIIDY-CIUDSAMLSA-N -1 0 307.372 -0.442 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000739219557 602689891 /nfs/dbraw/zinc/68/98/91/602689891.db2.gz AAICRPSHQDIIDY-XHNCKOQMSA-N -1 0 307.372 -0.442 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000739288769 602689928 /nfs/dbraw/zinc/68/99/28/602689928.db2.gz GZEOCETXZAKAFD-LDYMZIIASA-N -1 0 307.372 -0.298 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000738949452 602691152 /nfs/dbraw/zinc/69/11/52/602691152.db2.gz KPTDKPXBVNTZTI-BDAKNGLRSA-N -1 0 307.372 -0.187 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000740282808 602692776 /nfs/dbraw/zinc/69/27/76/602692776.db2.gz GWZNCGZTRURNCC-RXMQYKEDSA-N -1 0 303.369 -0.227 20 0 DBADRM CS(=O)(=O)NCCNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000739989530 602696336 /nfs/dbraw/zinc/69/63/36/602696336.db2.gz BAAVGXGWEQKBHX-VIFPVBQESA-N -1 0 322.387 -0.775 20 0 DBADRM O=C([O-])NCCCNC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000740649468 602700751 /nfs/dbraw/zinc/70/07/51/602700751.db2.gz AJVFONONQMGLMR-UHFFFAOYSA-N -1 0 312.326 -0.471 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cn1ncn2nccc2c1=O ZINC000739150811 602704445 /nfs/dbraw/zinc/70/44/45/602704445.db2.gz COIMOPZADWODHR-SECBINFHSA-N -1 0 320.309 -0.898 20 0 DBADRM CN(C(=O)NCCN1CCN(C(=O)[O-])CC1)[C@H]1CCOC1 ZINC000739575182 602709157 /nfs/dbraw/zinc/70/91/57/602709157.db2.gz IPJKQOFPLZZMGO-NSHDSACASA-N -1 0 300.359 -0.288 20 0 DBADRM O=C([O-])NCc1nc(C(=O)N2CCS(=O)(=O)CC2)cs1 ZINC000740681467 602711484 /nfs/dbraw/zinc/71/14/84/602711484.db2.gz BJEWSPGMUBLSAY-UHFFFAOYSA-N -1 0 319.364 -0.219 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)Cn1ncn2nccc2c1=O ZINC000740390163 602713598 /nfs/dbraw/zinc/71/35/98/602713598.db2.gz JSEHMOXQPLUCQJ-SECBINFHSA-N -1 0 320.309 -0.850 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CCN(C(=O)[O-])C[C@H]2C)CC1=O ZINC000739830526 602720670 /nfs/dbraw/zinc/72/06/70/602720670.db2.gz VGZDRWNCOSWAIP-MNOVXSKESA-N -1 0 313.354 -0.308 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000740329723 602721501 /nfs/dbraw/zinc/72/15/01/602721501.db2.gz ZCRWLCJCZOCWDH-NXEZZACHSA-N -1 0 314.342 -0.728 20 0 DBADRM C[C@@H](OC(=O)c1csc(CNC(=O)[O-])n1)C(=O)NC(N)=O ZINC000739041349 602723450 /nfs/dbraw/zinc/72/34/50/602723450.db2.gz AFYKSAXNMDSSQU-SCSAIBSYSA-N -1 0 316.295 -0.349 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)CC1CCN(C(=O)[O-])CC1 ZINC000739465736 602728517 /nfs/dbraw/zinc/72/85/17/602728517.db2.gz LSUCJIUZYKJROP-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)NCCS(=O)(=O)NCC ZINC000739287015 602728589 /nfs/dbraw/zinc/72/85/89/602728589.db2.gz HLYRWKUQMSLZBY-LLVKDONJSA-N -1 0 309.388 -0.132 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CCCN1C(=O)[O-])NS(C)(=O)=O ZINC000738745282 602728978 /nfs/dbraw/zinc/72/89/78/602728978.db2.gz ACXQWLRODOZGBK-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CCN(C(=O)[O-])C[C@@H]1C ZINC000739809002 602739220 /nfs/dbraw/zinc/73/92/20/602739220.db2.gz WMQPLMAMGIGYBY-UWVGGRQHSA-N -1 0 316.358 -0.469 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000739466661 602750397 /nfs/dbraw/zinc/75/03/97/602750397.db2.gz VWIWNDHSNPKTAG-SECBINFHSA-N -1 0 322.387 -0.681 20 0 DBADRM C[C@H](CCNC(=O)NCC(C)(C)NS(C)(=O)=O)NC(=O)[O-] ZINC000738908312 602749513 /nfs/dbraw/zinc/74/95/13/602749513.db2.gz STXFLSOFXMIYGB-MRVPVSSYSA-N -1 0 324.403 -0.340 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000737890496 602750635 /nfs/dbraw/zinc/75/06/35/602750635.db2.gz YMRMFGOWVUQVLZ-SECBINFHSA-N -1 0 308.356 -0.141 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CCN(C(=O)[O-])C[C@@H]2C)CC1 ZINC000738525442 602751307 /nfs/dbraw/zinc/75/13/07/602751307.db2.gz UOAGVRBLZBSHJJ-NSHDSACASA-N -1 0 312.370 -0.639 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000739155114 602752884 /nfs/dbraw/zinc/75/28/84/602752884.db2.gz SARPATBFFXEAGB-BDAKNGLRSA-N -1 0 305.356 -0.433 20 0 DBADRM CCN(CC(=O)N1CCC[C@@H](S(=O)(=O)NC)C1)C(=O)[O-] ZINC000739389635 602758856 /nfs/dbraw/zinc/75/88/56/602758856.db2.gz HUWBJYKHFYLNNK-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H](C)N1C(=O)[O-] ZINC000739166006 602763061 /nfs/dbraw/zinc/76/30/61/602763061.db2.gz JDIKYEPDMWRLMY-YUMQZZPRSA-N -1 0 310.310 -0.301 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@@H](C)N1C(=O)[O-] ZINC000739139769 602765810 /nfs/dbraw/zinc/76/58/10/602765810.db2.gz ZGDQFAJRDQGBMY-NXEZZACHSA-N -1 0 319.383 -0.379 20 0 DBADRM C[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H](C)N1C(=O)[O-] ZINC000739127626 602771240 /nfs/dbraw/zinc/77/12/40/602771240.db2.gz SJQMHKMQSNTXLA-IUCAKERBSA-N -1 0 307.372 -0.523 20 0 DBADRM CC(C)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)o1)NC(=O)[O-] ZINC000738788942 602774005 /nfs/dbraw/zinc/77/40/05/602774005.db2.gz HZVZOHDMDLCFAD-SSDOTTSWSA-N -1 0 319.339 -0.051 20 0 DBADRM C[C@@H]1CN(Cc2nc(N)nc(N(C)C)n2)CC[C@H]1NC(=O)[O-] ZINC000739189820 602775481 /nfs/dbraw/zinc/77/54/81/602775481.db2.gz NEDLCYRHBWZFCJ-RKDXNWHRSA-N -1 0 309.374 -0.002 20 0 DBADRM CC(C)[C@@H](CNC(=O)CCCN1C(=O)CNC1=O)NC(=O)[O-] ZINC000738778856 602775515 /nfs/dbraw/zinc/77/55/15/602775515.db2.gz SDLGVGVGCYNDKC-SECBINFHSA-N -1 0 314.342 -0.273 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)[C@H](CNC(=O)[O-])c2ccccc2)CCO1 ZINC000831177895 602775776 /nfs/dbraw/zinc/77/57/76/602775776.db2.gz CMIBZYVITUSBKT-NEPJUHHUSA-N -1 0 321.333 -0.250 20 0 DBADRM C[C@H]1CN(Cc2nc(N)nc(N(C)C)n2)CC[C@H]1NC(=O)[O-] ZINC000739189814 602775867 /nfs/dbraw/zinc/77/58/67/602775867.db2.gz NEDLCYRHBWZFCJ-DTWKUNHWSA-N -1 0 309.374 -0.002 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)CNCC(F)(F)F)CC1 ZINC000740376394 602778545 /nfs/dbraw/zinc/77/85/45/602778545.db2.gz OSMMCZCPPPVSEU-UHFFFAOYSA-N -1 0 312.292 -0.450 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000825193323 602788669 /nfs/dbraw/zinc/78/86/69/602788669.db2.gz IBOXLAZBVHMMDP-PSASIEDQSA-N -1 0 324.341 -0.586 20 0 DBADRM COCCN1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC000739833911 602792682 /nfs/dbraw/zinc/79/26/82/602792682.db2.gz LUTIUKYOWZVUDI-JTQLQIEISA-N -1 0 303.384 -0.170 20 0 DBADRM CC(C)[C@H](CNC(=O)NCCNS(C)(=O)=O)NC(=O)[O-] ZINC000738780659 602794063 /nfs/dbraw/zinc/79/40/63/602794063.db2.gz GNNPYURICXTXQA-QMMMGPOBSA-N -1 0 310.376 -0.873 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)CN(CC3CC3)C(=O)[O-])C2)C1=O ZINC000828445916 602794826 /nfs/dbraw/zinc/79/48/26/602794826.db2.gz QITXDDBOHRFVNN-AWEZNQCLSA-N -1 0 324.337 -0.471 20 0 DBADRM CN(CCCNC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC000739678878 602803601 /nfs/dbraw/zinc/80/36/01/602803601.db2.gz KRELGOYCUPUMLS-UHFFFAOYSA-N -1 0 316.401 -0.660 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOCC2)CC[C@H]1NC(=O)[O-] ZINC000739189628 602809053 /nfs/dbraw/zinc/80/90/53/602809053.db2.gz IAKAUJIWGBHDGA-NXEZZACHSA-N -1 0 307.372 -0.459 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)n1 ZINC000739747926 602813796 /nfs/dbraw/zinc/81/37/96/602813796.db2.gz FPAHQHLCUUUAPA-DTWKUNHWSA-N -1 0 324.341 -0.211 20 0 DBADRM NC(=O)CN1CCC(NC(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000740335195 602821303 /nfs/dbraw/zinc/82/13/03/602821303.db2.gz ZLHVUCGBRVKIIA-SECBINFHSA-N -1 0 316.383 -0.895 20 0 DBADRM COC(=O)C1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739756122 602823906 /nfs/dbraw/zinc/82/39/06/602823906.db2.gz ODCPFVOZSOQXQK-SNVBAGLBSA-N -1 0 300.311 -0.223 20 0 DBADRM CC(C)N(CC(N)=O)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000738838307 602825457 /nfs/dbraw/zinc/82/54/57/602825457.db2.gz YDPYVDOMVGXPLT-SNVBAGLBSA-N -1 0 301.343 -0.132 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1COCCN1C(=O)[O-])N1CCOCC1 ZINC000738747085 602825587 /nfs/dbraw/zinc/82/55/87/602825587.db2.gz MOLCVYFDHVKYAZ-NSHDSACASA-N -1 0 315.370 -0.408 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000738764286 602826752 /nfs/dbraw/zinc/82/67/52/602826752.db2.gz MVJKQWWDOUYWMB-NSHDSACASA-N -1 0 313.354 -0.308 20 0 DBADRM CC(C)[C@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000738789084 602827283 /nfs/dbraw/zinc/82/72/83/602827283.db2.gz QQSDPQYONFMUOD-BDAKNGLRSA-N -1 0 307.372 -0.235 20 0 DBADRM CN(C)C(=O)C1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739597263 602827715 /nfs/dbraw/zinc/82/77/15/602827715.db2.gz ROZAZDWHJZGBAC-LLVKDONJSA-N -1 0 313.354 -0.308 20 0 DBADRM CN(C(=O)[C@H]1COCCN1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739575627 602828839 /nfs/dbraw/zinc/82/88/39/602828839.db2.gz VZKNKRBYECTNKG-DTWKUNHWSA-N -1 0 306.340 -0.989 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739663431 602834554 /nfs/dbraw/zinc/83/45/54/602834554.db2.gz KZQBTGCIBSYLHO-UWVGGRQHSA-N -1 0 319.383 -0.185 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000740459472 602839591 /nfs/dbraw/zinc/83/95/91/602839591.db2.gz LFZWUSAXWQIYBA-SNVBAGLBSA-N -1 0 318.293 -0.020 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)[O-])CCS1(=O)=O ZINC000739127745 602841765 /nfs/dbraw/zinc/84/17/65/602841765.db2.gz OLARSDXAIDUYHL-HTQZYQBOSA-N -1 0 308.381 -0.315 20 0 DBADRM Cn1cnnc1C1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000740293359 602842354 /nfs/dbraw/zinc/84/23/54/602842354.db2.gz CRUBPPRIGKWSAD-LLVKDONJSA-N -1 0 323.353 -0.100 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CCO[C@@H](C(N)=O)C1)NC(=O)[O-] ZINC000738783516 602842996 /nfs/dbraw/zinc/84/29/96/602842996.db2.gz HHXUERYLHAPSPG-RKDXNWHRSA-N -1 0 302.331 -0.826 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN(C(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000740292846 602843949 /nfs/dbraw/zinc/84/39/49/602843949.db2.gz AJRUNXPNKOFUAL-GHMZBOCLSA-N -1 0 323.353 -0.100 20 0 DBADRM NC(=O)c1cc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)cc(C(N)=O)c1 ZINC000740334346 602845086 /nfs/dbraw/zinc/84/50/86/602845086.db2.gz RECALSXNUQXTBH-ZETCQYMHSA-N -1 0 320.305 -0.177 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CCO1 ZINC000828639858 602845615 /nfs/dbraw/zinc/84/56/15/602845615.db2.gz IJLGYQNYBVVGBB-UWVGGRQHSA-N -1 0 300.311 -0.081 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NCCN1C(=O)CNC1=O ZINC000736417570 602850111 /nfs/dbraw/zinc/85/01/11/602850111.db2.gz WEAYWBVJZLWLMP-MRVPVSSYSA-N -1 0 300.315 -0.663 20 0 DBADRM NC(=O)CN1CCCN(C(=O)c2ccc(CNC(=O)[O-])o2)CC1 ZINC000831190328 602850218 /nfs/dbraw/zinc/85/02/18/602850218.db2.gz UBQANODIKDIMNT-UHFFFAOYSA-N -1 0 324.337 -0.320 20 0 DBADRM O=C([O-])N(CC(=O)NCCCn1cncn1)C[C@H]1CCCO1 ZINC000740362375 602850558 /nfs/dbraw/zinc/85/05/58/602850558.db2.gz FJRJDGHOCDHGIW-LLVKDONJSA-N -1 0 311.342 -0.057 20 0 DBADRM O=C([O-])Nc1ccc(CC(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000740702596 602851465 /nfs/dbraw/zinc/85/14/65/602851465.db2.gz CTWYOWYVVMPDDC-UHFFFAOYSA-N -1 0 320.305 -0.013 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCC(=O)NCC(F)(F)F ZINC000740377977 602854253 /nfs/dbraw/zinc/85/42/53/602854253.db2.gz MLSMYNWFDMTBSG-LURJTMIESA-N -1 0 313.232 -0.840 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)CCCN(C)C(=O)[O-])C1 ZINC000737553554 602854449 /nfs/dbraw/zinc/85/44/49/602854449.db2.gz SKGZCKLTUROSCR-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM CCNC(=O)CN(C)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739454212 602854753 /nfs/dbraw/zinc/85/47/53/602854753.db2.gz AJXYISFXTDVOCF-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000739751704 602855222 /nfs/dbraw/zinc/85/52/22/602855222.db2.gz VCOWGIDRPLVSJB-VHSXEESVSA-N -1 0 319.383 -0.331 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCN1C(=O)CSC1=O ZINC000740439034 602855475 /nfs/dbraw/zinc/85/54/75/602855475.db2.gz KMBRAQMSTGXXFG-SSDOTTSWSA-N -1 0 317.323 -0.823 20 0 DBADRM C[C@@H](NC(=O)[C@H]1COCCN1C(=O)[O-])C(=O)NC(C)(C)C ZINC000738960183 602863059 /nfs/dbraw/zinc/86/30/59/602863059.db2.gz UPIQTTPZXZCQLB-RKDXNWHRSA-N -1 0 301.343 -0.215 20 0 DBADRM O=C([O-])Nc1ccc(C(=O)NCCN2C(=O)CNC2=O)c(O)c1 ZINC000740699925 602866286 /nfs/dbraw/zinc/86/62/86/602866286.db2.gz YDIYVUGQVPYGHS-UHFFFAOYSA-N -1 0 322.277 -0.236 20 0 DBADRM CN(CC(=O)Oc1cccc(C(=O)NCC(N)=O)c1)C(=O)[O-] ZINC000737406835 602866899 /nfs/dbraw/zinc/86/68/99/602866899.db2.gz QKNQLJFYTUVWHR-UHFFFAOYSA-N -1 0 309.278 -0.583 20 0 DBADRM O=C(CNC(=O)[C@@H]1COCCN1C(=O)[O-])NC1CCCCC1 ZINC000740380821 602870644 /nfs/dbraw/zinc/87/06/44/602870644.db2.gz ZROQFAKCPOGSSD-NSHDSACASA-N -1 0 313.354 -0.070 20 0 DBADRM CCS(=O)(=O)CCN(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739514614 602875851 /nfs/dbraw/zinc/87/58/51/602875851.db2.gz IMBQVNCWIVZJBC-UHFFFAOYSA-N -1 0 307.416 -0.352 20 0 DBADRM CC1(C)CN(CCNC(=O)[C@H]2COCCN2C(=O)[O-])CCO1 ZINC000739063911 602876659 /nfs/dbraw/zinc/87/66/59/602876659.db2.gz NTQAQQDKUTZKIM-LLVKDONJSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@@H](CCNC(=O)N1CCS(=O)(=O)[C@H](C)C1)NC(=O)[O-] ZINC000738899449 602882897 /nfs/dbraw/zinc/88/28/97/602882897.db2.gz DCVRSIDHWYHSKB-DTWKUNHWSA-N -1 0 307.372 -0.139 20 0 DBADRM CCN(CCNC(=O)N1CCS(=O)(=O)[C@H](C)C1)C(=O)[O-] ZINC000739429484 602883572 /nfs/dbraw/zinc/88/35/72/602883572.db2.gz MZZRZALCEKWHBH-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM CC1(C)COCCN1CCNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739062982 602885044 /nfs/dbraw/zinc/88/50/44/602885044.db2.gz FPIQBWJOFBRSJK-LLVKDONJSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@H](CC(=O)N1CCC[C@H](CS(N)(=O)=O)C1)NC(=O)[O-] ZINC000824580507 602888719 /nfs/dbraw/zinc/88/87/19/602888719.db2.gz IIKQCANEDZWIOK-BDAKNGLRSA-N -1 0 307.372 -0.440 20 0 DBADRM O=C([O-])N1CC[C@H](C(=O)OCC(=O)NCCCn2cccn2)C1 ZINC000740374534 602891160 /nfs/dbraw/zinc/89/11/60/602891160.db2.gz BEAABUQNBXAALJ-NSHDSACASA-N -1 0 324.337 -0.068 20 0 DBADRM NC(=O)Cn1cc(C(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)nn1 ZINC000831199357 602891624 /nfs/dbraw/zinc/89/16/24/602891624.db2.gz ADPIXXARYYILMN-SECBINFHSA-N -1 0 324.341 -0.727 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCOC[C@@H]1CCOC1 ZINC000740445208 602899331 /nfs/dbraw/zinc/89/93/31/602899331.db2.gz XBOULYQSECLTMJ-GHMZBOCLSA-N -1 0 302.327 -0.466 20 0 DBADRM CC(C)(CNC(=O)C[C@@H]1CCCN1C(=O)[O-])NS(C)(=O)=O ZINC000823908413 602899872 /nfs/dbraw/zinc/89/98/72/602899872.db2.gz UTEVOIXXODSEAX-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM CC(C)(CNC(=O)CN(CC1CC1)C(=O)[O-])NS(C)(=O)=O ZINC000823912006 602899937 /nfs/dbraw/zinc/89/99/37/602899937.db2.gz FKODWFPFHCZMEI-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCN(C)C(=O)[O-])C1 ZINC000739749101 602900829 /nfs/dbraw/zinc/90/08/29/602900829.db2.gz GRSXYLKQLOSHDP-SECBINFHSA-N -1 0 322.387 -0.681 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000740400826 602902137 /nfs/dbraw/zinc/90/21/37/602902137.db2.gz ZHARBGKURDRBAA-IUCAKERBSA-N -1 0 306.340 -0.941 20 0 DBADRM C[C@H](NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C(=O)N(C)C ZINC000738959913 602902721 /nfs/dbraw/zinc/90/27/21/602902721.db2.gz XWLZECLEQCMEQJ-VHSXEESVSA-N -1 0 301.343 -0.262 20 0 DBADRM CN(C)c1ncc(CNC(=O)[C@@H]2COCCN2C(=O)[O-])n1C ZINC000739619859 602903049 /nfs/dbraw/zinc/90/30/49/602903049.db2.gz XMSQVIYYIUUTRR-JTQLQIEISA-N -1 0 311.342 -0.519 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCN1CCSCC1 ZINC000740441567 602903949 /nfs/dbraw/zinc/90/39/49/602903949.db2.gz PTYSCPZGUYPSKG-SNVBAGLBSA-N -1 0 303.384 -0.470 20 0 DBADRM CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1COCCN1C(=O)[O-])CC2 ZINC000739558780 602908364 /nfs/dbraw/zinc/90/83/64/602908364.db2.gz VBHLJXQCXGLKHG-NXEZZACHSA-N -1 0 323.353 -0.350 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCOC[C@H]1CCCO1 ZINC000740445162 602909116 /nfs/dbraw/zinc/90/91/16/602909116.db2.gz WBHXCHFYHOYDNQ-MNOVXSKESA-N -1 0 302.327 -0.323 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739074124 602913538 /nfs/dbraw/zinc/91/35/38/602913538.db2.gz HPFNZMLJGCVYPG-UTLUCORTSA-N -1 0 320.367 -0.601 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000740348760 602914887 /nfs/dbraw/zinc/91/48/87/602914887.db2.gz LZASKRHCAPSKMB-RYUDHWBXSA-N -1 0 323.353 -0.105 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)CN(CC2CC2)C(=O)[O-])C1 ZINC000831244656 602919480 /nfs/dbraw/zinc/91/94/80/602919480.db2.gz BSSNKAYWNVDYIU-SECBINFHSA-N -1 0 305.356 -0.734 20 0 DBADRM Cn1c(=O)ccn(CC(=O)OC[C@@H]2CCCN2C(=O)[O-])c1=O ZINC000740274835 602921619 /nfs/dbraw/zinc/92/16/19/602921619.db2.gz CSIIMGSXIBYSHL-VIFPVBQESA-N -1 0 311.294 -0.767 20 0 DBADRM C[C@H](CC(=O)NCCC(=O)N1CCN(C)CC1)NC(=O)[O-] ZINC000824637619 602924280 /nfs/dbraw/zinc/92/42/80/602924280.db2.gz UHLZHUYIDLKEHG-SNVBAGLBSA-N -1 0 300.359 -0.687 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1NC(=O)[O-] ZINC000739140246 602929118 /nfs/dbraw/zinc/92/91/18/602929118.db2.gz ZBSXVOWWGMISHO-BBBLOLIVSA-N -1 0 319.383 -0.139 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)C[C@H](C)NC(=O)[O-])C1 ZINC000828573594 602932562 /nfs/dbraw/zinc/93/25/62/602932562.db2.gz UJBAZILJXUBVER-IUCAKERBSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@H](CO)[C@H](C)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738938790 602934450 /nfs/dbraw/zinc/93/44/50/602934450.db2.gz JXPANBQHBHAGEL-ZJUUUORDSA-N -1 0 316.358 -0.875 20 0 DBADRM Cn1cc(C(=O)NC[C@H]2CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740284251 602952198 /nfs/dbraw/zinc/95/21/98/602952198.db2.gz MPJSOYSFQFYUKT-SECBINFHSA-N -1 0 324.337 -0.796 20 0 DBADRM CN(C(=O)c1cn(C)c(=O)n(C)c1=O)C1CCN(C(=O)[O-])CC1 ZINC000739594469 602953588 /nfs/dbraw/zinc/95/35/88/602953588.db2.gz UTJUQIPMIBDEHV-UHFFFAOYSA-N -1 0 324.337 -0.702 20 0 DBADRM Cn1cc(C(=O)N2CCCC[C@@H]2CNC(=O)[O-])c(=O)n(C)c1=O ZINC000740282215 602954621 /nfs/dbraw/zinc/95/46/21/602954621.db2.gz ZDKATBFZHNGLAR-SECBINFHSA-N -1 0 324.337 -0.654 20 0 DBADRM C[C@H]1CC(=O)NCCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739071450 602955850 /nfs/dbraw/zinc/95/58/50/602955850.db2.gz ALYYIWQGOFEDRY-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000738136783 602961679 /nfs/dbraw/zinc/96/16/79/602961679.db2.gz ZEGGLIBKJGKYOX-UWVGGRQHSA-N -1 0 319.383 -0.474 20 0 DBADRM CC(C)N(CCC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC000738838133 602962306 /nfs/dbraw/zinc/96/23/06/602962306.db2.gz JCOZOGFONBPFFF-SNVBAGLBSA-N -1 0 321.399 -0.085 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000739309276 602963595 /nfs/dbraw/zinc/96/35/95/602963595.db2.gz WPMGJSOOSPVUHA-IUCAKERBSA-N -1 0 307.372 -0.427 20 0 DBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000739293654 602963773 /nfs/dbraw/zinc/96/37/73/602963773.db2.gz XXXDXVJQJFCMQV-BXKDBHETSA-N -1 0 321.399 -0.037 20 0 DBADRM CCN(CCNC(=O)N1CC[C@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC000739425196 602968280 /nfs/dbraw/zinc/96/82/80/602968280.db2.gz GFNKEFROLPVHES-VIFPVBQESA-N -1 0 322.387 -0.681 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000739996460 602969189 /nfs/dbraw/zinc/96/91/89/602969189.db2.gz RSIVSNBJBIWZFV-RKDXNWHRSA-N -1 0 320.371 -0.928 20 0 DBADRM Cc1nnc(CN(C)CC(=O)NC2CCN(C(=O)[O-])CC2)n1C ZINC000740256142 602974455 /nfs/dbraw/zinc/97/44/55/602974455.db2.gz AIRLHVKIFLDJQH-UHFFFAOYSA-N -1 0 324.385 -0.186 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000738860161 602974635 /nfs/dbraw/zinc/97/46/35/602974635.db2.gz LZJBHEZRRPTTLX-NXEZZACHSA-N -1 0 321.399 -0.133 20 0 DBADRM CN1C(=O)N[C@@]2(CCN(C(=O)CC(C)(C)NC(=O)[O-])C2)C1=O ZINC000739726752 602978843 /nfs/dbraw/zinc/97/88/43/602978843.db2.gz IAGCYQHLDUVPBN-CYBMUJFWSA-N -1 0 312.326 -0.425 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCCN(C(=O)[O-])CC1 ZINC000737674693 602980006 /nfs/dbraw/zinc/98/00/06/602980006.db2.gz LQWGIFGQJLJTRA-VIFPVBQESA-N -1 0 307.372 -0.185 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1CCCN(C(=O)[O-])CC1 ZINC000737674691 602980120 /nfs/dbraw/zinc/98/01/20/602980120.db2.gz LQWGIFGQJLJTRA-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)CC[C@H]1NC(=O)NC1=O ZINC000740624138 602981082 /nfs/dbraw/zinc/98/10/82/602981082.db2.gz SHHAZJUFHHMESL-XHNCKOQMSA-N -1 0 312.326 -0.473 20 0 DBADRM NC(=O)c1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000740337955 602983318 /nfs/dbraw/zinc/98/33/18/602983318.db2.gz XEJWQMUGFZDERR-UHFFFAOYSA-N -1 0 320.305 -0.454 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])C[C@@H]1C ZINC000739045561 602986535 /nfs/dbraw/zinc/98/65/35/602986535.db2.gz LIGHMDQPWPCIRT-SDDRHHMPSA-N -1 0 315.370 -0.721 20 0 DBADRM COCCN(CC(C)C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739829693 602989539 /nfs/dbraw/zinc/98/95/39/602989539.db2.gz UEFCJIHSPJWSKP-UHFFFAOYSA-N -1 0 315.370 -0.060 20 0 DBADRM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC000740625634 602993732 /nfs/dbraw/zinc/99/37/32/602993732.db2.gz LPDPQASNOQHANC-BDAKNGLRSA-N -1 0 312.326 -0.519 20 0 DBADRM CCn1cc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)ccc1=O ZINC000739567025 602994476 /nfs/dbraw/zinc/99/44/76/602994476.db2.gz OIZGUCSTGTTXJE-UHFFFAOYSA-N -1 0 322.321 -0.371 20 0 DBADRM Cc1noc(C)c1CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740262382 602996448 /nfs/dbraw/zinc/99/64/48/602996448.db2.gz DMGAADLIBUXARK-UHFFFAOYSA-N -1 0 310.310 -0.270 20 0 DBADRM O=C([O-])NCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000740658055 603004811 /nfs/dbraw/zinc/00/48/11/603004811.db2.gz ISPLWLRHXFQPQG-UHFFFAOYSA-N -1 0 320.305 -0.705 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])nn1 ZINC000831200271 603005670 /nfs/dbraw/zinc/00/56/70/603005670.db2.gz YNOYIJWXBPSZBF-IUCAKERBSA-N -1 0 324.341 -0.680 20 0 DBADRM CC[S@](=O)CCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739518871 603007267 /nfs/dbraw/zinc/00/72/67/603007267.db2.gz KQWBBQHTTAMTCD-NRFANRHFSA-N -1 0 319.427 -0.055 20 0 DBADRM CS(=O)(=O)NCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000739995567 603007722 /nfs/dbraw/zinc/00/77/22/603007722.db2.gz ODKPDKAICUUSNA-PBINXNQUSA-N -1 0 319.383 -0.285 20 0 DBADRM COc1ncccc1N(C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739983968 603009120 /nfs/dbraw/zinc/00/91/20/603009120.db2.gz OYFNBMLXVDQUDC-UHFFFAOYSA-N -1 0 322.321 -0.125 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1C(=O)NCCN1CCOCC1 ZINC000832551502 603009855 /nfs/dbraw/zinc/00/98/55/603009855.db2.gz OPYROLQWKXWPJA-LLVKDONJSA-N -1 0 300.359 -0.240 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739621989 603012834 /nfs/dbraw/zinc/01/28/34/603012834.db2.gz RETZECZCTWMPEC-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000737546458 603014054 /nfs/dbraw/zinc/01/40/54/603014054.db2.gz HQLZULSRFNSQCN-RYUDHWBXSA-N -1 0 313.354 -0.260 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000739308112 603014569 /nfs/dbraw/zinc/01/45/69/603014569.db2.gz CFPVYIVUEUQYKF-GHMZBOCLSA-N -1 0 301.343 -0.214 20 0 DBADRM CN(Cc1ccccn1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739713189 603017538 /nfs/dbraw/zinc/01/75/38/603017538.db2.gz AJJSRKOKMUAYAC-UHFFFAOYSA-N -1 0 306.322 -0.138 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CCCN(C(=O)[O-])CC1)C(C)C ZINC000738052388 603018320 /nfs/dbraw/zinc/01/83/20/603018320.db2.gz AUCFZICXQCJMTB-LBPRGKRZSA-N -1 0 315.370 -0.014 20 0 DBADRM CCN(C[C@@H]1CCOC1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739415807 603018550 /nfs/dbraw/zinc/01/85/50/603018550.db2.gz TYRVQKDECRSRSU-NSHDSACASA-N -1 0 313.354 -0.306 20 0 DBADRM CCN(C[C@@H]1CCCO1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739412949 603018617 /nfs/dbraw/zinc/01/86/17/603018617.db2.gz CWXZXCLGQQPRKZ-NSHDSACASA-N -1 0 313.354 -0.164 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CC(C)(C)NC(=O)[O-] ZINC000739757732 603018871 /nfs/dbraw/zinc/01/88/71/603018871.db2.gz ALEWFJWSMDSSTR-MRVPVSSYSA-N -1 0 315.326 -0.687 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC(C)(C)O1 ZINC000739129692 603018985 /nfs/dbraw/zinc/01/89/85/603018985.db2.gz ALFMDFHSVKSZLM-JTQLQIEISA-N -1 0 313.354 -0.166 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])CC1 ZINC000739806394 603024589 /nfs/dbraw/zinc/02/45/89/603024589.db2.gz SIAZRSRLXHGHDO-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000736365698 603027339 /nfs/dbraw/zinc/02/73/39/603027339.db2.gz SBJAJFOFEJKUHT-GHMZBOCLSA-N -1 0 311.342 -0.202 20 0 DBADRM COC[C@@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739813677 603029227 /nfs/dbraw/zinc/02/92/27/603029227.db2.gz VILBTNJLNCFPND-LLVKDONJSA-N -1 0 313.354 -0.306 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)COCCNC(=O)[O-])CCO1 ZINC000739476292 603033226 /nfs/dbraw/zinc/03/32/26/603033226.db2.gz QGJLVJRHDWCKRJ-SECBINFHSA-N -1 0 304.299 -0.939 20 0 DBADRM CC(C)(CC(=O)NCCN1CCCS1(=O)=O)NC(=O)[O-] ZINC000738729331 603033331 /nfs/dbraw/zinc/03/33/31/603033331.db2.gz BCJVSWXDHRAVJV-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NCCN1CCCS1(=O)=O ZINC000740571088 603034233 /nfs/dbraw/zinc/03/42/33/603034233.db2.gz OZYLKQUOJLXWHF-UWVGGRQHSA-N -1 0 319.383 -0.426 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)CN1CC(=O)NC1=O)c1ccccc1 ZINC000740538799 603034970 /nfs/dbraw/zinc/03/49/70/603034970.db2.gz QTTMBSRYNABMFL-SNVBAGLBSA-N -1 0 320.305 -0.337 20 0 DBADRM CC(C)(CC(=O)NCCCN1CCCS1(=O)=O)NC(=O)[O-] ZINC000738730730 603037397 /nfs/dbraw/zinc/03/73/97/603037397.db2.gz JFDINMVUUHZMFO-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM CCC1(O)CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739262834 603038857 /nfs/dbraw/zinc/03/88/57/603038857.db2.gz GKLHOJOAQCSJLR-UHFFFAOYSA-N -1 0 313.354 -0.428 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)CN1CCCS1(=O)=O)C1CC1 ZINC000740599122 603043006 /nfs/dbraw/zinc/04/30/06/603043006.db2.gz ALKRVBPRZVDXSH-VIFPVBQESA-N -1 0 305.356 -0.816 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)Cn1nc2ccccn2c1=O)C1CC1 ZINC000740602869 603044272 /nfs/dbraw/zinc/04/42/72/603044272.db2.gz GMCLVCRUQPLOQB-JTQLQIEISA-N -1 0 319.321 -0.342 20 0 DBADRM O=C([O-])NC[C@H]1CCN(C(=O)NCCN2C(=O)CCC2=O)C1 ZINC000740638553 603044520 /nfs/dbraw/zinc/04/45/20/603044520.db2.gz BJLAMIAMHUMGKX-SECBINFHSA-N -1 0 312.326 -0.566 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000739464318 603047612 /nfs/dbraw/zinc/04/76/12/603047612.db2.gz DWGYNLWKPYPBNB-RKDXNWHRSA-N -1 0 307.372 -0.522 20 0 DBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)CN(C)S(C)(=O)=O ZINC000738770766 603049953 /nfs/dbraw/zinc/04/99/53/603049953.db2.gz IETMEXFEHWOTRF-NSHDSACASA-N -1 0 309.388 -0.324 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])CCO1 ZINC000738553364 603052715 /nfs/dbraw/zinc/05/27/15/603052715.db2.gz WSMGIYMCPFZNEG-IJLUTSLNSA-N -1 0 313.354 -0.214 20 0 DBADRM CC(C)(CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)NC(=O)[O-] ZINC000738732342 603053481 /nfs/dbraw/zinc/05/34/81/603053481.db2.gz SFIFZYXKPHKMCE-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CCN(C(=O)[O-])[C@H](C)C2)C1=O ZINC000739813095 603054820 /nfs/dbraw/zinc/05/48/20/603054820.db2.gz VFGSMNQYKHNPNN-RNCFNFMXSA-N -1 0 314.342 -0.415 20 0 DBADRM CC(C)(CC(=O)N1CCO[C@@H](Cn2cncn2)C1)NC(=O)[O-] ZINC000738733816 603055139 /nfs/dbraw/zinc/05/51/39/603055139.db2.gz ZAPNXIWOKRYRSC-SNVBAGLBSA-N -1 0 311.342 -0.058 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)C1CCN(C(=O)[O-])CC1 ZINC000738444657 603055485 /nfs/dbraw/zinc/05/54/85/603055485.db2.gz JJISZARXULAEIR-SNVBAGLBSA-N -1 0 319.383 -0.344 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000736365700 603058901 /nfs/dbraw/zinc/05/89/01/603058901.db2.gz SBJAJFOFEJKUHT-QWRGUYRKSA-N -1 0 311.342 -0.202 20 0 DBADRM CCOC(=O)N1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739477390 603060024 /nfs/dbraw/zinc/06/00/24/603060024.db2.gz OXFQZYXHQFCDFD-UWVGGRQHSA-N -1 0 315.326 -0.600 20 0 DBADRM CCOC(=O)N1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739477389 603060184 /nfs/dbraw/zinc/06/01/84/603060184.db2.gz OXFQZYXHQFCDFD-NXEZZACHSA-N -1 0 315.326 -0.600 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)CCN1CCCS1(=O)=O)C1CC1 ZINC000740601680 603060853 /nfs/dbraw/zinc/06/08/53/603060853.db2.gz NPXGSFJFPMAIFT-JTQLQIEISA-N -1 0 319.383 -0.426 20 0 DBADRM COC(=O)C1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739756246 603061229 /nfs/dbraw/zinc/06/12/29/603061229.db2.gz PMRBTGMBRPPGDA-NXEZZACHSA-N -1 0 300.311 -0.489 20 0 DBADRM NC(=O)c1cccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000740335831 603067717 /nfs/dbraw/zinc/06/77/17/603067717.db2.gz WRZLRAMGEFKMJP-WDEREUQCSA-N -1 0 307.306 -0.485 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000827518463 603070144 /nfs/dbraw/zinc/07/01/44/603070144.db2.gz KNKMHIQLALOMEK-UWVGGRQHSA-N -1 0 323.353 -0.004 20 0 DBADRM CCN(CC(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O)C(=O)[O-] ZINC000827001940 603070467 /nfs/dbraw/zinc/07/04/67/603070467.db2.gz GIPIZWGTCXSBSU-JTQLQIEISA-N -1 0 323.353 -0.050 20 0 DBADRM Cc1nnc([C@@H]2CN(C(=O)COCCNC(=O)[O-])CCO2)[nH]1 ZINC000740206092 603071639 /nfs/dbraw/zinc/07/16/39/603071639.db2.gz ZVRPNPNUWCFPOH-VIFPVBQESA-N -1 0 313.314 -0.703 20 0 DBADRM COCCCN(CCOC)C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739809890 603071731 /nfs/dbraw/zinc/07/17/31/603071731.db2.gz FJGWSFWYTAPZOI-GHMZBOCLSA-N -1 0 304.343 -0.389 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCC(=O)Nc1ccccc1 ZINC000740380739 603072776 /nfs/dbraw/zinc/07/27/76/603072776.db2.gz ZELSRHALOMZHQB-GHMZBOCLSA-N -1 0 307.306 -0.146 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCCNC(=O)[O-] ZINC000738704228 603075028 /nfs/dbraw/zinc/07/50/28/603075028.db2.gz FWEWIUYYJVTNMC-DTWKUNHWSA-N -1 0 317.342 -0.260 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000740505183 603075049 /nfs/dbraw/zinc/07/50/49/603075049.db2.gz KJDXPDIUJZCPJS-VXGBXAGGSA-N -1 0 312.370 -0.145 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCN(CC(F)F)CC1 ZINC000740342027 603075615 /nfs/dbraw/zinc/07/56/15/603075615.db2.gz QCQOTGSMLUTHIZ-BDAKNGLRSA-N -1 0 307.297 -0.491 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NC1CCN(CC(F)F)CC1 ZINC000740400989 603075667 /nfs/dbraw/zinc/07/56/67/603075667.db2.gz IJZMJYWPTIZHQQ-ZJUUUORDSA-N -1 0 321.324 -0.055 20 0 DBADRM CN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739634079 603077077 /nfs/dbraw/zinc/07/70/77/603077077.db2.gz GFVQUFFZPWZCQB-BDAKNGLRSA-N -1 0 302.327 -0.100 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCC(=O)Nc1cccnc1 ZINC000740375991 603077825 /nfs/dbraw/zinc/07/78/25/603077825.db2.gz CSYAADRXOBXESH-ZJUUUORDSA-N -1 0 308.294 -0.751 20 0 DBADRM CN1CCO[C@H](CNC(=O)N[C@H](CNC(=O)[O-])C2CC2)C1 ZINC000739742635 603084774 /nfs/dbraw/zinc/08/47/74/603084774.db2.gz KJPMCUKWZMGKRN-GHMZBOCLSA-N -1 0 300.359 -0.338 20 0 DBADRM COCCN(CC(=O)NN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000739817773 603085980 /nfs/dbraw/zinc/08/59/80/603085980.db2.gz FYXZCCDEKUPZNZ-UHFFFAOYSA-N -1 0 321.289 -0.060 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739474420 603086252 /nfs/dbraw/zinc/08/62/52/603086252.db2.gz LTMBSFSXFBPOAB-NXEZZACHSA-N -1 0 315.326 -0.288 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739739317 603092087 /nfs/dbraw/zinc/09/20/87/603092087.db2.gz DTSZKBHVSYWTNT-UHFFFAOYSA-N -1 0 314.386 -0.345 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000739190831 603095201 /nfs/dbraw/zinc/09/52/01/603095201.db2.gz PIASZSOGXBEQHE-PSASIEDQSA-N -1 0 319.383 -0.139 20 0 DBADRM C[C@H](CCNC(=O)N1CCS(=O)(=O)C[C@@H]1C)NC(=O)[O-] ZINC000738906060 603097675 /nfs/dbraw/zinc/09/76/75/603097675.db2.gz OBJKHHVNMXLOMH-BDAKNGLRSA-N -1 0 307.372 -0.139 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000739188407 603098251 /nfs/dbraw/zinc/09/82/51/603098251.db2.gz KDGQLUOWXUHDQO-UWVGGRQHSA-N -1 0 319.383 -0.043 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@](C)(CNC(=O)[O-])C(C)C)C(N)=O ZINC000738550194 603099752 /nfs/dbraw/zinc/09/97/52/603099752.db2.gz RHNXVNLBRJJDBI-TVQRCGJNSA-N -1 0 316.358 -0.835 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NC[C@@H](O)c2ccco2)C(=O)C1 ZINC000740370625 603101908 /nfs/dbraw/zinc/10/19/08/603101908.db2.gz WXGPPBXYCXNXGD-SECBINFHSA-N -1 0 311.294 -0.749 20 0 DBADRM CS(=O)(=O)Cc1noc(NC(=O)[C@@H]2CCCN2C(=O)[O-])n1 ZINC000739985088 603104785 /nfs/dbraw/zinc/10/47/85/603104785.db2.gz HKBUVRKJLCXOCX-LURJTMIESA-N -1 0 318.311 -0.305 20 0 DBADRM COCCN(CC(=O)N1CCCN(C(C)=O)CC1)C(=O)[O-] ZINC000739815649 603105687 /nfs/dbraw/zinc/10/56/87/603105687.db2.gz FPVATBSVWSKUTM-UHFFFAOYSA-N -1 0 301.343 -0.306 20 0 DBADRM COCCn1nc(C(=O)N2CCC[C@H]2CNC(=O)[O-])ccc1=O ZINC000829036665 603106917 /nfs/dbraw/zinc/10/69/17/603106917.db2.gz YBVWKTLAYBRDBW-JTQLQIEISA-N -1 0 324.337 -0.238 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739463395 603114799 /nfs/dbraw/zinc/11/47/99/603114799.db2.gz OJVFBVWBJUDMNM-SFYZADRCSA-N -1 0 301.299 -0.188 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1C(=O)CCC(=O)N1CCOCC1 ZINC000832537721 603120750 /nfs/dbraw/zinc/12/07/50/603120750.db2.gz DAQKQJDKTBEXPL-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@H]2CNC(=O)[O-])nn1 ZINC000827965700 603126649 /nfs/dbraw/zinc/12/66/49/603126649.db2.gz FQNJCLLYBARUAE-VIFPVBQESA-N -1 0 324.341 -0.762 20 0 DBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000738769796 603127180 /nfs/dbraw/zinc/12/71/80/603127180.db2.gz YRBFXSLFRGPRJA-ZDUSSCGKSA-N -1 0 312.326 -0.102 20 0 DBADRM CN(C)c1nc(N)nc(COC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])n1 ZINC000739617228 603127729 /nfs/dbraw/zinc/12/77/29/603127729.db2.gz DJJGUVYVQVUODG-JGVFFNPUSA-N -1 0 324.341 -0.001 20 0 DBADRM CN1C[C@H](NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1=O ZINC000739723381 603128035 /nfs/dbraw/zinc/12/80/35/603128035.db2.gz LSIJBZYBIOFXQG-SNVBAGLBSA-N -1 0 312.370 -0.593 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)N[C@H]1CCc2ncnn2C1)C1CC1 ZINC000740612226 603128535 /nfs/dbraw/zinc/12/85/35/603128535.db2.gz MHCNNHNYZBXQNC-UWVGGRQHSA-N -1 0 308.342 -0.062 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CNC(=O)[O-])o1 ZINC000831252274 603130669 /nfs/dbraw/zinc/13/06/69/603130669.db2.gz UPGBXXYBCHUFLL-ZETCQYMHSA-N -1 0 317.323 -0.201 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000739705379 603133348 /nfs/dbraw/zinc/13/33/48/603133348.db2.gz SIJJKMAWYBOPFT-SECBINFHSA-N -1 0 307.372 -0.281 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)CN1CCC(=O)NC1=O)C(=O)[O-] ZINC000828191478 603144095 /nfs/dbraw/zinc/14/40/95/603144095.db2.gz IJWITQLKJHWZCA-SECBINFHSA-N -1 0 312.326 -0.471 20 0 DBADRM CC1(C)COC(=O)[C@@H]1OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739063500 603144994 /nfs/dbraw/zinc/14/49/94/603144994.db2.gz KFNGQBWRHBFIQK-JTQLQIEISA-N -1 0 314.294 -0.697 20 0 DBADRM Cc1csc(=O)n1CCOC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000740204695 603147628 /nfs/dbraw/zinc/14/76/28/603147628.db2.gz LZJJPHWURNGRSP-RKDXNWHRSA-N -1 0 316.335 -0.125 20 0 DBADRM CCCCn1nnnc1COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739346281 603148256 /nfs/dbraw/zinc/14/82/56/603148256.db2.gz BEIUWAGTQWJNRV-BDAKNGLRSA-N -1 0 313.314 -0.370 20 0 DBADRM CCC(C)(C)NC(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739220023 603152653 /nfs/dbraw/zinc/15/26/53/603152653.db2.gz UDXFSPWQGIWEQP-DTWKUNHWSA-N -1 0 302.327 -0.052 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000828218353 603155381 /nfs/dbraw/zinc/15/53/81/603155381.db2.gz JZWXKEOVCJYWQY-VIFPVBQESA-N -1 0 324.337 -0.702 20 0 DBADRM O=C(CCc1nc(-c2nc[nH]n2)no1)NC1CN(C(=O)[O-])C1 ZINC000740364384 603157741 /nfs/dbraw/zinc/15/77/41/603157741.db2.gz UGRMONDUVOOABV-UHFFFAOYSA-N -1 0 307.270 -0.734 20 0 DBADRM Cn1c(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])nnc1C1CC1 ZINC000740281968 603159929 /nfs/dbraw/zinc/15/99/29/603159929.db2.gz LRCXTAYSSUIVDJ-RKDXNWHRSA-N -1 0 310.310 -0.151 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)CN(CCOC)C(=O)[O-] ZINC000739750657 603163427 /nfs/dbraw/zinc/16/34/27/603163427.db2.gz WAFXVHBWVQIRPC-ZETCQYMHSA-N -1 0 305.287 -1.000 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)OC[C@@H]1CCN(C(=O)[O-])C1 ZINC000740356710 603163489 /nfs/dbraw/zinc/16/34/89/603163489.db2.gz HGPKIDJZJPLDKZ-SNVBAGLBSA-N -1 0 320.367 -0.045 20 0 DBADRM CCNC(=O)CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739459919 603164050 /nfs/dbraw/zinc/16/40/50/603164050.db2.gz DJAUAPZRCKTGDS-UHFFFAOYSA-N -1 0 300.359 -0.687 20 0 DBADRM CC(C)(C(=O)NCC(=O)NC1CC1)N1CCN(C(=O)[O-])CC1 ZINC000738648268 603164900 /nfs/dbraw/zinc/16/49/00/603164900.db2.gz IOMIHDFSIIRKCH-UHFFFAOYSA-N -1 0 312.370 -0.545 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)[O-] ZINC000828185860 603165735 /nfs/dbraw/zinc/16/57/35/603165735.db2.gz GOILFZBJQAFCHY-IUCAKERBSA-N -1 0 312.326 -0.425 20 0 DBADRM CS(=O)(=O)CCNC(=S)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738153754 603172743 /nfs/dbraw/zinc/17/27/43/603172743.db2.gz ZZZNCNNGXUJHQC-MRVPVSSYSA-N -1 0 309.413 -0.363 20 0 DBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000740013779 603186167 /nfs/dbraw/zinc/18/61/67/603186167.db2.gz RZUIWPIFSOGNQD-MNOVXSKESA-N -1 0 319.427 -0.099 20 0 DBADRM O=C([O-])N1CCC[C@@H]1C(=O)N1CCN(CCn2cncn2)CC1 ZINC000740344942 603189230 /nfs/dbraw/zinc/18/92/30/603189230.db2.gz JHSKIJKKCWXQLC-GFCCVEGCSA-N -1 0 322.369 -0.435 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000739673419 603190086 /nfs/dbraw/zinc/19/00/86/603190086.db2.gz GLLPNSCUGHSOLV-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CCN1C(=S)N=NC1CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739565787 603192404 /nfs/dbraw/zinc/19/24/04/603192404.db2.gz YHDSXUGWWFJBLJ-BQBZGAKWSA-N -1 0 315.355 -0.684 20 0 DBADRM Cn1cnnc1CCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000740295575 603193461 /nfs/dbraw/zinc/19/34/61/603193461.db2.gz SBIWMAGPJXWIAO-UHFFFAOYSA-N -1 0 324.385 -0.452 20 0 DBADRM COCCN(CC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)C(=O)[O-] ZINC000828976171 603197554 /nfs/dbraw/zinc/19/75/54/603197554.db2.gz JLIHRUYGPSBDPO-MXWKQRLJSA-N -1 0 313.354 -0.262 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1=O ZINC000737807751 603199121 /nfs/dbraw/zinc/19/91/21/603199121.db2.gz JBKRJUFKQFQHNA-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM CN(CC(=O)N1CCc2ccc(S(N)(=O)=O)cc21)C(=O)[O-] ZINC000737390416 603206945 /nfs/dbraw/zinc/20/69/45/603206945.db2.gz YVDIUKDTGNMTEC-UHFFFAOYSA-N -1 0 313.335 -0.167 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N[C@H]2CCCN(C(=O)[O-])C2)C1=O ZINC000739073436 603208515 /nfs/dbraw/zinc/20/85/15/603208515.db2.gz GJONBDJLXJTBMN-QMMMGPOBSA-N -1 0 312.326 -0.425 20 0 DBADRM CCOC(=O)C(NC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)OCC ZINC000739468301 603209109 /nfs/dbraw/zinc/20/91/09/603209109.db2.gz NAWXWSHQUSPCPU-QMMMGPOBSA-N -1 0 316.310 -0.403 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)Cn1cccnc1=O ZINC000739204672 603215881 /nfs/dbraw/zinc/21/58/81/603215881.db2.gz KOHFQPOGBIDORB-ZJUUUORDSA-N -1 0 324.337 -0.137 20 0 DBADRM COC(=O)NCC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739771673 603218284 /nfs/dbraw/zinc/21/82/84/603218284.db2.gz BBKYBBCIRIVOJH-HTQZYQBOSA-N -1 0 303.315 -0.038 20 0 DBADRM C[C@H](NC(N)=O)C(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739032193 603218306 /nfs/dbraw/zinc/21/83/06/603218306.db2.gz JZCSMAJSAAHVOO-FXQIFTODSA-N -1 0 302.331 -0.337 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739984989 603224239 /nfs/dbraw/zinc/22/42/39/603224239.db2.gz RZJIMPSRNODENY-VIFPVBQESA-N -1 0 308.356 -0.836 20 0 DBADRM Cc1cc(N2CCC[C@@H](NC(=O)CNC(=O)[O-])C2=O)n(C)n1 ZINC000830077699 603225040 /nfs/dbraw/zinc/22/50/40/603225040.db2.gz FLORGKSOAVRSLI-SECBINFHSA-N -1 0 309.326 -0.392 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000739524065 603225936 /nfs/dbraw/zinc/22/59/36/603225936.db2.gz DKDQJYMNBTZUSJ-JTQLQIEISA-N -1 0 310.358 -0.196 20 0 DBADRM C[C@H](CC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)NC(=O)[O-] ZINC000824592986 603230735 /nfs/dbraw/zinc/23/07/35/603230735.db2.gz WQBSBYIWXPCTOB-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739994586 603237505 /nfs/dbraw/zinc/23/75/05/603237505.db2.gz JODCHMMIGDPVCO-ZJUUUORDSA-N -1 0 321.399 -0.132 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)n1 ZINC000739601273 603238466 /nfs/dbraw/zinc/23/84/66/603238466.db2.gz ZCKDMJVGQIMKJV-SECBINFHSA-N -1 0 309.326 -0.090 20 0 DBADRM COCCn1nc(C(=O)N(C)CCCNC(=O)[O-])ccc1=O ZINC000739838788 603238812 /nfs/dbraw/zinc/23/88/12/603238812.db2.gz GZDHCQJNYFFEAA-UHFFFAOYSA-N -1 0 312.326 -0.381 20 0 DBADRM NS(=O)(=O)CCCNC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000740343125 603246162 /nfs/dbraw/zinc/24/61/62/603246162.db2.gz UKBFGRWMNARACK-DTWKUNHWSA-N -1 0 307.372 -0.392 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CCN(C(=O)[O-])C1)NS(C)(=O)=O ZINC000738748500 603246407 /nfs/dbraw/zinc/24/64/07/603246407.db2.gz YZTCKDXWWHKUAG-QMMMGPOBSA-N -1 0 307.372 -0.570 20 0 DBADRM NC(=O)CN1CCN(C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)CC1 ZINC000740333121 603248860 /nfs/dbraw/zinc/24/88/60/603248860.db2.gz BEOUEJSNQADCHX-QWRGUYRKSA-N -1 0 312.370 -0.558 20 0 DBADRM NC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)CC1 ZINC000740333118 603248996 /nfs/dbraw/zinc/24/89/96/603248996.db2.gz BEOUEJSNQADCHX-MNOVXSKESA-N -1 0 312.370 -0.558 20 0 DBADRM O=C([O-])N1CCC[C@@H](NC(=O)NCCN2CCOCC2)C1 ZINC000739420718 603249500 /nfs/dbraw/zinc/24/95/00/603249500.db2.gz YJYCDXMPBJLNSN-LLVKDONJSA-N -1 0 300.359 -0.240 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000737220220 603258849 /nfs/dbraw/zinc/25/88/49/603258849.db2.gz KNKJTHWNFSWYKC-SECBINFHSA-N -1 0 307.372 -0.137 20 0 DBADRM O=C([O-])N1CC[C@H](C(=O)N2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000740732216 603272375 /nfs/dbraw/zinc/27/23/75/603272375.db2.gz JDAGRQSJOOMWKC-QMMMGPOBSA-N -1 0 310.310 -0.813 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000738994242 603281464 /nfs/dbraw/zinc/28/14/64/603281464.db2.gz JNRPVPHXGLRRSL-WCBMZHEXSA-N -1 0 309.326 -0.312 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739071445 603284987 /nfs/dbraw/zinc/28/49/87/603284987.db2.gz ALMZMUDMWGRTDS-UTLUCORTSA-N -1 0 319.383 -0.044 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739071441 603285046 /nfs/dbraw/zinc/28/50/46/603285046.db2.gz ALMZMUDMWGRTDS-OPRDCNLKSA-N -1 0 319.383 -0.044 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000739679112 603285667 /nfs/dbraw/zinc/28/56/67/603285667.db2.gz YSUMYZLYCCXDLX-UHFFFAOYSA-N -1 0 324.403 -0.387 20 0 DBADRM CS(=O)(=O)CCN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739985027 603295222 /nfs/dbraw/zinc/29/52/22/603295222.db2.gz SYKYLGAGNSAOIG-UHFFFAOYSA-N -1 0 319.339 -0.905 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000739223341 603298480 /nfs/dbraw/zinc/29/84/80/603298480.db2.gz JCHQCDHQWCSKKG-UPFKWVMWSA-N -1 0 312.326 -0.521 20 0 DBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000736424584 603298599 /nfs/dbraw/zinc/29/85/99/603298599.db2.gz XRJXIWBJSBRMDE-OQPBUACISA-N -1 0 312.326 -0.521 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000736606357 603298846 /nfs/dbraw/zinc/29/88/46/603298846.db2.gz AIMVSEKNAYPQNP-BDAKNGLRSA-N -1 0 307.372 -0.139 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739732679 603313107 /nfs/dbraw/zinc/31/31/07/603313107.db2.gz ZWVYDARVALBESZ-NSHDSACASA-N -1 0 312.370 -0.733 20 0 DBADRM C[C@@H](CC(=O)NCc1cccc(S(N)(=O)=O)c1)NC(=O)[O-] ZINC000824665945 603313739 /nfs/dbraw/zinc/31/37/39/603313739.db2.gz XYLAFYZRFFQARR-QMMMGPOBSA-N -1 0 315.351 -0.004 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000739993263 603317666 /nfs/dbraw/zinc/31/76/66/603317666.db2.gz XYQOSZIGBVYYML-IUCAKERBSA-N -1 0 305.356 -0.864 20 0 DBADRM C[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1NC(=O)[O-] ZINC000739169647 603327521 /nfs/dbraw/zinc/32/75/21/603327521.db2.gz SQZLGXPKSUGWBG-WPRPVWTQSA-N -1 0 324.337 -0.798 20 0 DBADRM C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739126464 603338476 /nfs/dbraw/zinc/33/84/76/603338476.db2.gz QDDHMTWVOFJLGB-RKDXNWHRSA-N -1 0 307.372 -0.618 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@H]1NC(=O)[O-] ZINC000739167684 603355932 /nfs/dbraw/zinc/35/59/32/603355932.db2.gz NXVITDPJJGHIQC-VXNVDRBHSA-N -1 0 310.310 -0.396 20 0 DBADRM C[C@@H]1CN(CC(=O)NCC(=O)NC(C)(C)C)CCN1C(=O)[O-] ZINC000739171495 603358481 /nfs/dbraw/zinc/35/84/81/603358481.db2.gz IJTINYDRIZZNOY-SNVBAGLBSA-N -1 0 314.386 -0.299 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)[C@H]2CCc3c[nH]nc3C2)CC1 ZINC000831689850 603367896 /nfs/dbraw/zinc/36/78/96/603367896.db2.gz YZDRLGSBEDCQIU-NSHDSACASA-N -1 0 321.381 -0.074 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000831689849 603367998 /nfs/dbraw/zinc/36/79/98/603367998.db2.gz YZDRLGSBEDCQIU-LLVKDONJSA-N -1 0 321.381 -0.074 20 0 DBADRM CCN(CC(=O)Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)[O-] ZINC000739396501 603380068 /nfs/dbraw/zinc/38/00/68/603380068.db2.gz ZXZTZAHDMWCLOY-UHFFFAOYSA-N -1 0 321.337 -0.044 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739740389 603382867 /nfs/dbraw/zinc/38/28/67/603382867.db2.gz RDKPEUXBBPLCBX-UHFFFAOYSA-N -1 0 312.257 -0.284 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CSCN1C(=O)[O-] ZINC000739662614 603388699 /nfs/dbraw/zinc/38/86/99/603388699.db2.gz BINPPHQBXBDZHD-RKDXNWHRSA-N -1 0 322.408 -0.068 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])N[C@@H]1CCCCNC1=O ZINC000740364211 603393868 /nfs/dbraw/zinc/39/38/68/603393868.db2.gz LGZDJXOMVZRDIK-GHMZBOCLSA-N -1 0 313.354 -0.070 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CCC(NC(=O)[O-])CC2)cn1 ZINC000740230493 603395451 /nfs/dbraw/zinc/39/54/51/603395451.db2.gz DLGUOHSSWOTGCK-UHFFFAOYSA-N -1 0 307.310 -0.018 20 0 DBADRM Cn1ccc(NC(=O)C(=O)N2CCC(CNC(=O)[O-])CC2)n1 ZINC000740292572 603404581 /nfs/dbraw/zinc/40/45/81/603404581.db2.gz JQQLWBPEMGTFEA-UHFFFAOYSA-N -1 0 309.326 -0.135 20 0 DBADRM C[C@H](CC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)NC(=O)[O-] ZINC000824621824 603406101 /nfs/dbraw/zinc/40/61/01/603406101.db2.gz HTLSTMREWVIFIW-RKDXNWHRSA-N -1 0 307.372 -0.427 20 0 DBADRM CC(C)[C@@H](CNC(=O)CCN1CCCS1(=O)=O)NC(=O)[O-] ZINC000738775576 603408910 /nfs/dbraw/zinc/40/89/10/603408910.db2.gz HQOYRWOQQQGABM-SNVBAGLBSA-N -1 0 321.399 -0.180 20 0 DBADRM CCn1cc(NC(=O)C(=O)NCCCNC(=O)[O-])ccc1=O ZINC000739567395 603411002 /nfs/dbraw/zinc/41/10/02/603411002.db2.gz QTTGZTPZMVKCSB-UHFFFAOYSA-N -1 0 310.310 -0.419 20 0 DBADRM CCS(=O)(=O)CCNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739514654 603411144 /nfs/dbraw/zinc/41/11/44/603411144.db2.gz IRSAYYJZODTLNL-SNVBAGLBSA-N -1 0 322.383 -0.304 20 0 DBADRM CN(C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(C)n2)C1)C(=O)[O-] ZINC000739640172 603411519 /nfs/dbraw/zinc/41/15/19/603411519.db2.gz FRYHZNIKIHBOMC-VIFPVBQESA-N -1 0 309.326 -0.183 20 0 DBADRM CC[C@H]1C(=O)NCCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739269592 603414485 /nfs/dbraw/zinc/41/44/85/603414485.db2.gz XUYWPZRSDNBVJR-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM Cn1ccc(NC(=O)C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)n1 ZINC000740291408 603415359 /nfs/dbraw/zinc/41/53/59/603415359.db2.gz BUQGHCCYORCQGG-SECBINFHSA-N -1 0 309.326 -0.135 20 0 DBADRM CC(C)[C@@H](CNC(=O)CN1C(=O)NC(C)(C)C1=O)NC(=O)[O-] ZINC000738778837 603418204 /nfs/dbraw/zinc/41/82/04/603418204.db2.gz TUWYGVVDNYJYTG-MRVPVSSYSA-N -1 0 314.342 -0.275 20 0 DBADRM CCn1cc(NC(=O)C(=O)N(C)[C@H](C)CNC(=O)[O-])ccc1=O ZINC000739566073 603418231 /nfs/dbraw/zinc/41/82/31/603418231.db2.gz GIOMSSRGZSFVDK-SECBINFHSA-N -1 0 324.337 -0.079 20 0 DBADRM CCN(CC(=O)N1CCC(NS(=O)(=O)CC)CC1)C(=O)[O-] ZINC000739390624 603423308 /nfs/dbraw/zinc/42/33/08/603423308.db2.gz QTTBDZRUPRRZOK-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)CN(CC)C(=O)[O-])CC1 ZINC000739460178 603424109 /nfs/dbraw/zinc/42/41/09/603424109.db2.gz GXAMUUPYPPTEEA-UHFFFAOYSA-N -1 0 314.386 -0.343 20 0 DBADRM Cn1cc(NC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740290495 603426059 /nfs/dbraw/zinc/42/60/59/603426059.db2.gz OJPTVUBHNMBJSC-DTWKUNHWSA-N -1 0 324.337 -0.151 20 0 DBADRM CCn1cc(NC(=O)C(=O)N(C)CCCNC(=O)[O-])ccc1=O ZINC000739565420 603426524 /nfs/dbraw/zinc/42/65/24/603426524.db2.gz AUNXTFKMBHBSEQ-UHFFFAOYSA-N -1 0 324.337 -0.077 20 0 DBADRM Cn1cc([C@H]2[C@H](C(=O)NCCNC(=O)[O-])CCC(=O)N2C)cn1 ZINC000739728361 603426945 /nfs/dbraw/zinc/42/69/45/603426945.db2.gz NCIRRWPWDGEQIC-PWSUYJOCSA-N -1 0 323.353 -0.287 20 0 DBADRM O=C([O-])N[C@@H](CC(=O)NN1CC(=O)NC1=O)Cc1ccccc1 ZINC000832106436 603433600 /nfs/dbraw/zinc/43/36/00/603433600.db2.gz ZLRHPVQSOTWBTJ-SNVBAGLBSA-N -1 0 320.305 -0.162 20 0 DBADRM O=C([O-])N[C@H](CC(=O)NN1CC(=O)NC1=O)Cc1ccccc1 ZINC000832106435 603433613 /nfs/dbraw/zinc/43/36/13/603433613.db2.gz ZLRHPVQSOTWBTJ-JTQLQIEISA-N -1 0 320.305 -0.162 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000829683602 603434456 /nfs/dbraw/zinc/43/44/56/603434456.db2.gz VZHXUKAFODECQK-ZJUUUORDSA-N -1 0 319.383 -0.474 20 0 DBADRM CCOC(=O)[C@@H](C)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000827284871 603439048 /nfs/dbraw/zinc/43/90/48/603439048.db2.gz QOIQTPICODLXDV-VIFPVBQESA-N -1 0 316.310 -0.449 20 0 DBADRM NC(=O)CN1CCC(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000831189514 603441005 /nfs/dbraw/zinc/44/10/05/603441005.db2.gz ABPYQOJCNZUVEW-MWLCHTKSSA-N -1 0 312.370 -0.511 20 0 DBADRM COC(=O)[C@]1(NC(=O)C2CCN(C(=O)[O-])CC2)CCOC1 ZINC000828623802 603444118 /nfs/dbraw/zinc/44/41/18/603444118.db2.gz HJRNGZYWNDSVIE-ZDUSSCGKSA-N -1 0 300.311 -0.175 20 0 DBADRM NC(=O)CN1C[C@H](OC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1=O ZINC000831190361 603448571 /nfs/dbraw/zinc/44/85/71/603448571.db2.gz VAWGFPAVIYFHNF-DJLDLDEBSA-N -1 0 313.310 -0.948 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCN(CCn2cncn2)CC1 ZINC000824842449 603449791 /nfs/dbraw/zinc/44/97/91/603449791.db2.gz YFRCGUJYSGRVDN-GFCCVEGCSA-N -1 0 324.385 -0.332 20 0 DBADRM Nc1nc(N)nc(COC(=O)[C@@H]2CSCN2C(=O)[O-])n1 ZINC000831265606 603455591 /nfs/dbraw/zinc/45/55/91/603455591.db2.gz RCFMZUUIMSQUIU-BYPYZUCNSA-N -1 0 300.300 -0.868 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000826074124 603461998 /nfs/dbraw/zinc/46/19/98/603461998.db2.gz ICUNGCZGLSKTDV-DJLDLDEBSA-N -1 0 307.372 -0.571 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)CCCNC(=O)[O-] ZINC000826075651 603462924 /nfs/dbraw/zinc/46/29/24/603462924.db2.gz ZWDTYROTHLFMIR-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM CN([C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)CCS(C)(=O)=O ZINC000828086580 603475354 /nfs/dbraw/zinc/47/53/54/603475354.db2.gz WWLYJARBIAAXDY-QMMMGPOBSA-N -1 0 314.385 -0.955 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000825509109 603478683 /nfs/dbraw/zinc/47/86/83/603478683.db2.gz NIRPTCVFXYLQHR-IDKOKCKLSA-N -1 0 321.399 -0.039 20 0 DBADRM Cc1c(C(=O)NCCC(N)=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000829851336 603480332 /nfs/dbraw/zinc/48/03/32/603480332.db2.gz ZWDXHVZCPBTUBH-UHFFFAOYSA-N -1 0 324.341 -0.493 20 0 DBADRM CN(CCNC(=O)N1CCN(C(C)(C)C(N)=O)CC1)C(=O)[O-] ZINC000828324570 603481509 /nfs/dbraw/zinc/48/15/09/603481509.db2.gz RZKQOPDXHNYEIO-UHFFFAOYSA-N -1 0 315.374 -0.813 20 0 DBADRM NC(=O)CCNC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000831184786 603481862 /nfs/dbraw/zinc/48/18/62/603481862.db2.gz NCFNDSFRPORLDD-UHFFFAOYSA-N -1 0 310.314 -0.802 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CC[C@H](CNC(=O)[O-])C2)nn1 ZINC000828805527 603482659 /nfs/dbraw/zinc/48/26/59/603482659.db2.gz YVIZCNZZAHJVND-MRVPVSSYSA-N -1 0 311.298 -0.819 20 0 DBADRM CN(CC(=O)NCC(=O)N1CCCC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828102294 603485528 /nfs/dbraw/zinc/48/55/28/603485528.db2.gz IQCOXAZHNJSFTO-LLVKDONJSA-N -1 0 312.370 -0.591 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NCCCN(C(=O)[O-])C1CC1 ZINC000824035660 603487292 /nfs/dbraw/zinc/48/72/92/603487292.db2.gz XURXUJGSGDYMHW-UHFFFAOYSA-N -1 0 321.399 -0.037 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Cn1cnc2c1ncnc2N ZINC000824959741 603489114 /nfs/dbraw/zinc/48/91/14/603489114.db2.gz NPVWLCVLWFJCTD-ZETCQYMHSA-N -1 0 307.314 -0.477 20 0 DBADRM COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cn1C ZINC000828749625 603491175 /nfs/dbraw/zinc/49/11/75/603491175.db2.gz FUELRLWWPANGDC-BDAKNGLRSA-N -1 0 311.294 -0.137 20 0 DBADRM C[C@@H](CNC(=O)CN1CCN(C(=O)[O-])CC1=O)Cn1ccnc1 ZINC000824923264 603494286 /nfs/dbraw/zinc/49/42/86/603494286.db2.gz XMXGBCNYDMKVAV-NSHDSACASA-N -1 0 323.353 -0.542 20 0 DBADRM C[C@H](Cc1ccncc1)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000825029820 603498476 /nfs/dbraw/zinc/49/84/76/603498476.db2.gz CKKSEZZZGMFVSB-LLVKDONJSA-N -1 0 320.349 -0.049 20 0 DBADRM CN(C(=O)Cn1cnc2c1ncnc2N)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827781329 603500846 /nfs/dbraw/zinc/50/08/46/603500846.db2.gz HNQYCRASSLGIPO-MRVPVSSYSA-N -1 0 319.325 -0.381 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000827847343 603503672 /nfs/dbraw/zinc/50/36/72/603503672.db2.gz WGZZLFVSTKECEU-JTQLQIEISA-N -1 0 319.321 -0.293 20 0 DBADRM O=C(CC[C@@H]1CCOC1)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000831422787 603505379 /nfs/dbraw/zinc/50/53/79/603505379.db2.gz DDIKYSADWDOPGU-LLVKDONJSA-N -1 0 313.354 -0.259 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000825510444 603511375 /nfs/dbraw/zinc/51/13/75/603511375.db2.gz YWEIXUIXXAAJGM-QMMMGPOBSA-N -1 0 309.388 -0.324 20 0 DBADRM CCCNC(=O)CCC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000826922370 603511560 /nfs/dbraw/zinc/51/15/60/603511560.db2.gz XPTIXLBATWKTHA-LLVKDONJSA-N -1 0 314.386 -0.297 20 0 DBADRM CN1CCN(C(=O)CCCCNC(N)=O)[C@@H](CNC(=O)[O-])C1 ZINC000828494148 603513609 /nfs/dbraw/zinc/51/36/09/603513609.db2.gz HOHKZGUGXICPSQ-JTQLQIEISA-N -1 0 315.374 -0.765 20 0 DBADRM CN1CCN(C(=O)c2ccc3nncn3c2)[C@@H](CNC(=O)[O-])C1 ZINC000828513992 603514784 /nfs/dbraw/zinc/51/47/84/603514784.db2.gz SRAQGNPDDOJSQG-NSHDSACASA-N -1 0 318.337 -0.247 20 0 DBADRM COCCN1C[C@H](C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)CC1=O ZINC000828984839 603518713 /nfs/dbraw/zinc/51/87/13/603518713.db2.gz KDJUSGGHUWXLON-MNOVXSKESA-N -1 0 313.354 -0.308 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)CC1=O ZINC000828984841 603518836 /nfs/dbraw/zinc/51/88/36/603518836.db2.gz KDJUSGGHUWXLON-WDEREUQCSA-N -1 0 313.354 -0.308 20 0 DBADRM Cc1noc(CCC(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])n1 ZINC000830920672 603521688 /nfs/dbraw/zinc/52/16/88/603521688.db2.gz OIZXGPANMWFTLU-SNVBAGLBSA-N -1 0 311.342 -0.279 20 0 DBADRM COC(=O)NCCC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000828713162 603522531 /nfs/dbraw/zinc/52/25/31/603522531.db2.gz FASAENCMNNSZQF-VIFPVBQESA-N -1 0 302.331 -0.857 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])C1 ZINC000831240213 603524727 /nfs/dbraw/zinc/52/47/27/603524727.db2.gz MDMSNZSKCIPCRC-UWVGGRQHSA-N -1 0 319.383 -0.202 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC000827841034 603528735 /nfs/dbraw/zinc/52/87/35/603528735.db2.gz KPAIFYYWPCRDHD-SECBINFHSA-N -1 0 312.326 -0.471 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000824381603 603529987 /nfs/dbraw/zinc/52/99/87/603529987.db2.gz HRRDXTCYQOOJFU-UWVGGRQHSA-N -1 0 321.399 -0.133 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)Cc2nc3ncccn3n2)C1 ZINC000827846824 603532526 /nfs/dbraw/zinc/53/25/26/603532526.db2.gz RWLLUNVEJANATG-SECBINFHSA-N -1 0 304.310 -0.123 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000832269737 603534602 /nfs/dbraw/zinc/53/46/02/603534602.db2.gz LNUQVGJCRKHFDK-VHSXEESVSA-N -1 0 319.383 -0.426 20 0 DBADRM COCCn1nc(C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)ccc1=O ZINC000829036660 603538575 /nfs/dbraw/zinc/53/85/75/603538575.db2.gz XZQADGSYMHLQJP-JTQLQIEISA-N -1 0 324.337 -0.286 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)C1 ZINC000827841703 603541168 /nfs/dbraw/zinc/54/11/68/603541168.db2.gz ZXGVUWSYUQAJPI-SECBINFHSA-N -1 0 321.399 -0.085 20 0 DBADRM CC(C)N1C(=O)C[C@@H](NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1=O ZINC000824350159 603545745 /nfs/dbraw/zinc/54/57/45/603545745.db2.gz CCURNMXYACJXGS-AMIZOPFISA-N -1 0 315.301 -0.270 20 0 DBADRM COCCN(CC(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O)C(=O)[O-] ZINC000828975251 603546618 /nfs/dbraw/zinc/54/66/18/603546618.db2.gz AVXDCEQCRXVDIV-SECBINFHSA-N -1 0 315.326 -0.735 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000827840705 603551041 /nfs/dbraw/zinc/55/10/41/603551041.db2.gz DQTWMQHEVYQFGU-QMMMGPOBSA-N -1 0 312.326 -0.473 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)NCCCNC(=O)[O-])cn1 ZINC000827967259 603558692 /nfs/dbraw/zinc/55/86/92/603558692.db2.gz SXBHLZRHCQHYGF-UHFFFAOYSA-N -1 0 312.330 -0.250 20 0 DBADRM Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000830800455 603559301 /nfs/dbraw/zinc/55/93/01/603559301.db2.gz ZZQNCVRERDQIQG-NXEZZACHSA-N -1 0 309.326 -0.084 20 0 DBADRM CC(=O)N1CCN(C(=O)CN(C)[C@H](C)CNC(=O)[O-])CC1 ZINC000823556571 603559524 /nfs/dbraw/zinc/55/95/24/603559524.db2.gz OITSIBRWEADNOC-SNVBAGLBSA-N -1 0 300.359 -0.735 20 0 DBADRM Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000830800244 603559801 /nfs/dbraw/zinc/55/98/01/603559801.db2.gz WGDJZCXJDZSEIS-LPEHRKFASA-N -1 0 309.326 -0.349 20 0 DBADRM Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])CCO2)cn1 ZINC000831000368 603559845 /nfs/dbraw/zinc/55/98/45/603559845.db2.gz XHEDHEYNSWICQE-TUAOUCFPSA-N -1 0 324.337 -0.567 20 0 DBADRM C[C@H](CC(=O)N(C)C[C@H](O)CN1CCOCC1)NC(=O)[O-] ZINC000824550663 603560138 /nfs/dbraw/zinc/56/01/38/603560138.db2.gz HGTYKWTXSVGYBW-MNOVXSKESA-N -1 0 303.359 -0.816 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000824823187 603560474 /nfs/dbraw/zinc/56/04/74/603560474.db2.gz DXBOIIJIFRTDFJ-VXGBXAGGSA-N -1 0 317.386 -0.616 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)[C@H]1CCCN1C(=O)[O-] ZINC000828162609 603561527 /nfs/dbraw/zinc/56/15/27/603561527.db2.gz PBZMLZFVPFZJHR-NWDGAFQWSA-N -1 0 315.370 -0.720 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828162312 603561442 /nfs/dbraw/zinc/56/14/42/603561442.db2.gz MSNRZBRGEDRHGQ-VXGBXAGGSA-N -1 0 315.370 -0.862 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)NCC2(CO)CC2)CC1 ZINC000831689018 603568807 /nfs/dbraw/zinc/56/88/07/603568807.db2.gz JCUZZELSAJIEPV-UHFFFAOYSA-N -1 0 300.359 -0.646 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)CC1CN(C(=O)[O-])C1 ZINC000828684618 603571208 /nfs/dbraw/zinc/57/12/08/603571208.db2.gz YPCSOZDWDQZMTF-UHFFFAOYSA-N -1 0 302.283 -0.839 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CN1CCC[C@H]1CNC(=O)[O-] ZINC000823771393 603571211 /nfs/dbraw/zinc/57/12/11/603571211.db2.gz CYSXLOMPQYFPIE-JTQLQIEISA-N -1 0 314.386 -0.251 20 0 DBADRM NC(=O)c1cccc(CCNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000831234959 603571879 /nfs/dbraw/zinc/57/18/79/603571879.db2.gz ZPWBHPFBIDBJLL-NWDGAFQWSA-N -1 0 321.333 -0.443 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000826021485 603575006 /nfs/dbraw/zinc/57/50/06/603575006.db2.gz SYDKAAUTEGMIFB-QMMMGPOBSA-N -1 0 312.326 -0.473 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C[C@@H](C)NC(=O)[O-] ZINC000828579816 603584028 /nfs/dbraw/zinc/58/40/28/603584028.db2.gz QQZIFRREALBTPQ-RKDXNWHRSA-N -1 0 307.372 -0.427 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000828578732 603584827 /nfs/dbraw/zinc/58/48/27/603584827.db2.gz CUPCVUOYLJQCHJ-NXEZZACHSA-N -1 0 321.399 -0.228 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)CC(C)(C)NC(=O)[O-] ZINC000828579179 603585053 /nfs/dbraw/zinc/58/50/53/603585053.db2.gz IOHGHLKBTHCNJN-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828578543 603585320 /nfs/dbraw/zinc/58/53/20/603585320.db2.gz BRHPCFNTDAXSGL-NXEZZACHSA-N -1 0 319.383 -0.474 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H](NC(=O)[O-])C(C)C ZINC000828580218 603585927 /nfs/dbraw/zinc/58/59/27/603585927.db2.gz WXSZDMPHJGMETB-VHSXEESVSA-N -1 0 321.399 -0.181 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000828580144 603586134 /nfs/dbraw/zinc/58/61/34/603586134.db2.gz VWCHBAZUVDXIHD-UWVGGRQHSA-N -1 0 319.383 -0.331 20 0 DBADRM COC[C@@H]1CN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)CCO1 ZINC000828930062 603591205 /nfs/dbraw/zinc/59/12/05/603591205.db2.gz NPPVLNBQYRZADX-NSHDSACASA-N -1 0 313.354 -0.497 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2CCCC[C@@H]2CNC(=O)[O-])c1=O ZINC000830964488 603592446 /nfs/dbraw/zinc/59/24/46/603592446.db2.gz SSWFABHOLMSBMJ-MRVPVSSYSA-N -1 0 310.310 -0.252 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2CCCCN2C(=O)[O-])c1=O ZINC000830963204 603592497 /nfs/dbraw/zinc/59/24/97/603592497.db2.gz IEBPWNLLGGJABR-QMMMGPOBSA-N -1 0 310.310 -0.252 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])c1=O ZINC000830963953 603595829 /nfs/dbraw/zinc/59/58/29/603595829.db2.gz NNEZXGOQWNFAOR-VXNVDRBHSA-N -1 0 310.310 -0.348 20 0 DBADRM COCCCS(=O)(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000828957401 603598883 /nfs/dbraw/zinc/59/88/83/603598883.db2.gz NFHRUOAMOWWDCQ-JTQLQIEISA-N -1 0 309.388 -0.764 20 0 DBADRM CN(CCn1cccn1)CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O ZINC000828346238 603601951 /nfs/dbraw/zinc/60/19/51/603601951.db2.gz VPJBQDCNXQVNTF-GFCCVEGCSA-N -1 0 322.369 -0.128 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)NC1CCN(CC(N)=O)CC1 ZINC000823955922 603620880 /nfs/dbraw/zinc/62/08/80/603620880.db2.gz JBIUAEHGHNAWQV-UHFFFAOYSA-N -1 0 300.359 -0.654 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000823950773 603622175 /nfs/dbraw/zinc/62/21/75/603622175.db2.gz DTMMOGVUAKUNOD-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000827480145 603622778 /nfs/dbraw/zinc/62/27/78/603622778.db2.gz GRQNOWQITKOFJG-SECBINFHSA-N -1 0 322.387 -0.681 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)OC[C@@H]1CCN(C(=O)[O-])C1 ZINC000829683375 603627087 /nfs/dbraw/zinc/62/70/87/603627087.db2.gz QSOAKDXMNQSBAC-ZJUUUORDSA-N -1 0 320.367 -0.047 20 0 DBADRM C[C@@H]1CN(C(=O)NCCN(C)C(=O)[O-])C[C@@H]1N1CCOCC1 ZINC000826001288 603631361 /nfs/dbraw/zinc/63/13/61/603631361.db2.gz LUNRHPKRKKZYFU-NEPJUHHUSA-N -1 0 314.386 -0.042 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CCO1 ZINC000823580476 603631864 /nfs/dbraw/zinc/63/18/64/603631864.db2.gz SWHSHVMSAZAOTR-QJPTWQEYSA-N -1 0 313.354 -0.214 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000831275114 603634772 /nfs/dbraw/zinc/63/47/72/603634772.db2.gz ZKQLIGMPBXXUDZ-GHMZBOCLSA-N -1 0 311.338 -0.820 20 0 DBADRM CN(C)C(=O)CN(C)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000827960157 603638551 /nfs/dbraw/zinc/63/85/51/603638551.db2.gz GECSJBDAMULKPI-UHFFFAOYSA-N -1 0 314.386 -0.393 20 0 DBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCCNC(=O)[O-] ZINC000826073983 603639518 /nfs/dbraw/zinc/63/95/18/603639518.db2.gz FWITYAYRWLRXOR-IUCAKERBSA-N -1 0 322.387 -0.777 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)[C@@H]1COCCN1C(=O)[O-])CC2 ZINC000831049876 603639983 /nfs/dbraw/zinc/63/99/83/603639983.db2.gz CAKWGSLEWLXFBU-NSHDSACASA-N -1 0 322.321 -0.956 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000832247293 603640053 /nfs/dbraw/zinc/64/00/53/603640053.db2.gz OMVNFLKENVGVHH-HHURGBBESA-N -1 0 310.310 -0.767 20 0 DBADRM O=C([O-])NC(CNC(=O)c1cocn1)CNC(=O)c1cocn1 ZINC000832140915 603640758 /nfs/dbraw/zinc/64/07/58/603640758.db2.gz OVCBQQSJRNGMMM-UHFFFAOYSA-N -1 0 323.265 -0.541 20 0 DBADRM CC[C@@H]1CC[C@H](C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)O1 ZINC000826660332 603640724 /nfs/dbraw/zinc/64/07/24/603640724.db2.gz KIWGVHNVMFVOHH-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000824020881 603640919 /nfs/dbraw/zinc/64/09/19/603640919.db2.gz YOQUEPQDQQTZAS-UHLUBPPHSA-N -1 0 312.326 -0.473 20 0 DBADRM CCOC(=O)C1(O)CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000827292648 603647461 /nfs/dbraw/zinc/64/74/61/603647461.db2.gz TWFUXLPAJSYYFC-SNVBAGLBSA-N -1 0 314.338 -0.097 20 0 DBADRM CC(C)(CNC(=O)CCc1nc(-c2nc[nH]n2)no1)NC(=O)[O-] ZINC000823912265 603651121 /nfs/dbraw/zinc/65/11/21/603651121.db2.gz LZYOOWMCZFYYHQ-UHFFFAOYSA-N -1 0 323.313 -0.050 20 0 DBADRM CN(CC(=O)NCC(C)(C)NC(=O)[O-])c1ncnc2nc[nH]c21 ZINC000828101867 603652689 /nfs/dbraw/zinc/65/26/89/603652689.db2.gz BIMWFUQICXHFRH-UHFFFAOYSA-N -1 0 321.341 -0.049 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NCCCS(C)(=O)=O)C1 ZINC000827852707 603655303 /nfs/dbraw/zinc/65/53/03/603655303.db2.gz QJSBDPWTIZOOPI-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM COCCN1C[C@@H](C(=O)NCC(C)(C)NC(=O)[O-])CC1=O ZINC000828984616 603656377 /nfs/dbraw/zinc/65/63/77/603656377.db2.gz HAXUVWPSJJYHFH-VIFPVBQESA-N -1 0 301.343 -0.356 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CCCN1S(C)(=O)=O)NC(=O)[O-] ZINC000823906829 603661396 /nfs/dbraw/zinc/66/13/96/603661396.db2.gz KWDKMBOUXDPQLS-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000831757027 603670405 /nfs/dbraw/zinc/67/04/05/603670405.db2.gz IQJAEJAWCGXAJL-ZJUUUORDSA-N -1 0 318.293 -0.286 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)C2(CNC(=O)[O-])CCCC2)C1 ZINC000831245167 603671180 /nfs/dbraw/zinc/67/11/80/603671180.db2.gz GQBDELCRUBLQQW-SECBINFHSA-N -1 0 319.383 -0.296 20 0 DBADRM CN(C)C(=O)CCCC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000827954509 603673380 /nfs/dbraw/zinc/67/33/80/603673380.db2.gz VLWWRNPGFMHIHK-UHFFFAOYSA-N -1 0 314.386 -0.343 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)[C@@H](O)C2CCOCC2)CC1 ZINC000831689167 603674187 /nfs/dbraw/zinc/67/41/87/603674187.db2.gz LKKNDDLVFCAWGV-LBPRGKRZSA-N -1 0 315.370 -0.814 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000823946882 603677131 /nfs/dbraw/zinc/67/71/31/603677131.db2.gz MKJPJBDMNPYPNK-QMMMGPOBSA-N -1 0 307.372 -0.570 20 0 DBADRM CN(C(=O)CCN1CCCS1(=O)=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827759337 603677878 /nfs/dbraw/zinc/67/78/78/603677878.db2.gz QZODOEXWIFFRTH-SNVBAGLBSA-N -1 0 319.383 -0.377 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)C(C)(C)CNC(=O)[O-])C2=O)cn1 ZINC000831004212 603678797 /nfs/dbraw/zinc/67/87/97/603678797.db2.gz DXFBLRJFTNUHPK-JTQLQIEISA-N -1 0 323.353 -0.065 20 0 DBADRM COC(=O)N1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000828703432 603680928 /nfs/dbraw/zinc/68/09/28/603680928.db2.gz BJKKRTFLGOCLKX-IUCAKERBSA-N -1 0 301.299 -0.990 20 0 DBADRM C[C@H](CC(=O)N1CCSC[C@@H]1S(C)(=O)=O)NC(=O)[O-] ZINC000824598371 603682020 /nfs/dbraw/zinc/68/20/20/603682020.db2.gz CMBDYMDOJIMNRN-APPZFPTMSA-N -1 0 310.397 -0.021 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)C1=CCCCO1 ZINC000828090293 603683645 /nfs/dbraw/zinc/68/36/45/603683645.db2.gz LPUNTHBSTXKMHH-UHFFFAOYSA-N -1 0 311.338 -0.039 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)Cc1ccon1 ZINC000828095464 603684116 /nfs/dbraw/zinc/68/41/16/603684116.db2.gz IUDIOALZRCBTAY-UHFFFAOYSA-N -1 0 310.310 -0.502 20 0 DBADRM NC(=O)Cc1csc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])n1 ZINC000831200327 603684637 /nfs/dbraw/zinc/68/46/37/603684637.db2.gz ZTMHXDACOZMHNH-RNFRBKRXSA-N -1 0 314.323 -0.777 20 0 DBADRM COCC(=O)N[C@H](C(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1)C(C)C ZINC000828886791 603685472 /nfs/dbraw/zinc/68/54/72/603685472.db2.gz XCKYHDLUQGTXFM-PWSUYJOCSA-N -1 0 315.370 -0.016 20 0 DBADRM Cc1nnc(CN(C)CC(=O)N2CCC[C@@H](NC(=O)[O-])C2)n1C ZINC000830887540 603686471 /nfs/dbraw/zinc/68/64/71/603686471.db2.gz NBIXAUMWPMUXJY-LLVKDONJSA-N -1 0 324.385 -0.186 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2CCS(=O)(=O)C2)CCN1C(=O)[O-] ZINC000825999776 603686720 /nfs/dbraw/zinc/68/67/20/603686720.db2.gz BKANTGASNPUUQA-VHSXEESVSA-N -1 0 319.383 -0.185 20 0 DBADRM CC(=O)NCC1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000823579812 603692679 /nfs/dbraw/zinc/69/26/79/603692679.db2.gz MBROZZDDCADEJR-NWDGAFQWSA-N -1 0 313.354 -0.526 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)NCCCNC(=O)[O-] ZINC000828312037 603694914 /nfs/dbraw/zinc/69/49/14/603694914.db2.gz FNXVCXMMDAWYSG-UHFFFAOYSA-N -1 0 322.387 -0.679 20 0 DBADRM CNC(=O)[C@H](C)CN(C)C(=O)C1(OC)CCN(C(=O)[O-])CC1 ZINC000828525913 603697593 /nfs/dbraw/zinc/69/75/93/603697593.db2.gz CEZDYPKVEMDSCD-SNVBAGLBSA-N -1 0 315.370 -0.014 20 0 DBADRM CN(C(=O)CCC(=O)N1CCOCC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827754176 603700603 /nfs/dbraw/zinc/70/06/03/603700603.db2.gz XZRXVNZMPIPEPN-LLVKDONJSA-N -1 0 313.354 -0.164 20 0 DBADRM NC(=O)NCc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000831207874 603701383 /nfs/dbraw/zinc/70/13/83/603701383.db2.gz FYLBQKITESLXET-GHMZBOCLSA-N -1 0 322.321 -0.093 20 0 DBADRM CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827744666 603701920 /nfs/dbraw/zinc/70/19/20/603701920.db2.gz ALOVJBGKAFGMHL-NXEZZACHSA-N -1 0 319.383 -0.379 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CCCC[C@H]1CNC(=O)[O-] ZINC000825508123 603702146 /nfs/dbraw/zinc/70/21/46/603702146.db2.gz GRBNOXRWBPDAFY-BDAKNGLRSA-N -1 0 307.372 -0.427 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NC[C@H]1CN(C)CCO1 ZINC000826109364 603708539 /nfs/dbraw/zinc/70/85/39/603708539.db2.gz KGIJAFZSZGIBJT-GARJFASQSA-N -1 0 315.370 -0.063 20 0 DBADRM CN(C(=O)c1ccc(S(N)(=O)=O)o1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827938915 603714506 /nfs/dbraw/zinc/71/45/06/603714506.db2.gz SYVYFDKUBYAMLL-ZETCQYMHSA-N -1 0 317.323 -0.249 20 0 DBADRM CN(C(=O)Cn1ncn2nccc2c1=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827780787 603719079 /nfs/dbraw/zinc/71/90/79/603719079.db2.gz ATDYXNZKOTYAEG-VIFPVBQESA-N -1 0 320.309 -0.898 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000825509530 603719184 /nfs/dbraw/zinc/71/91/84/603719184.db2.gz QNDDBLLVNAOCQC-GUBZILKMSA-N -1 0 321.399 -0.039 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)C1 ZINC000831858885 603720629 /nfs/dbraw/zinc/72/06/29/603720629.db2.gz QDKVWHVGKPUUBQ-NEPJUHHUSA-N -1 0 314.338 -0.228 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])CC2 ZINC000830893351 603723630 /nfs/dbraw/zinc/72/36/30/603723630.db2.gz LFOJRSXBSVVFTD-KXUCPTDWSA-N -1 0 309.326 -0.869 20 0 DBADRM NC(=O)c1nccnc1C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000831241767 603725413 /nfs/dbraw/zinc/72/54/13/603725413.db2.gz YDCNAKAREBCBQE-QMMMGPOBSA-N -1 0 307.310 -0.305 20 0 DBADRM C[C@H](CC(=O)N1CCN(c2nccn(C)c2=O)CC1)NC(=O)[O-] ZINC000824599539 603726405 /nfs/dbraw/zinc/72/64/05/603726405.db2.gz OGISSEIPRBYTLZ-SNVBAGLBSA-N -1 0 323.353 -0.525 20 0 DBADRM C[C@H](O)CC(C)(C)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000825516566 603736112 /nfs/dbraw/zinc/73/61/12/603736112.db2.gz YDHRLQFEXHZIOJ-JTQLQIEISA-N -1 0 315.370 -0.278 20 0 DBADRM COC(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000828731534 603739076 /nfs/dbraw/zinc/73/90/76/603739076.db2.gz WCISHILSDSCPGD-IVZWLZJFSA-N -1 0 300.311 -0.489 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828313536 603743205 /nfs/dbraw/zinc/74/32/05/603743205.db2.gz ZNRAYWVUVKRLFS-SNVBAGLBSA-N -1 0 319.383 -0.520 20 0 DBADRM C[C@@]1(NC(=O)COC2CN(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC000825755644 603743484 /nfs/dbraw/zinc/74/34/84/603743484.db2.gz SFOHWUMEIJQDHH-LLVKDONJSA-N -1 0 306.340 -0.941 20 0 DBADRM CC1(C)COCCN1CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000825735171 603746151 /nfs/dbraw/zinc/74/61/51/603746151.db2.gz WIWQLIVTASUYCK-QWRGUYRKSA-N -1 0 315.370 -0.673 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCCN1CCOC1=O ZINC000831676433 603747001 /nfs/dbraw/zinc/74/70/01/603747001.db2.gz OYJQPARKUQTJDM-RKDXNWHRSA-N -1 0 301.299 -0.942 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCCN1CCOC1=O ZINC000831676430 603747191 /nfs/dbraw/zinc/74/71/91/603747191.db2.gz OYJQPARKUQTJDM-BDAKNGLRSA-N -1 0 301.299 -0.942 20 0 DBADRM Cn1ccc(N2CCC[C@H](NC(=O)NCCNC(=O)[O-])C2=O)n1 ZINC000831022533 603748142 /nfs/dbraw/zinc/74/81/42/603748142.db2.gz JDJXWWDCPKVLFK-VIFPVBQESA-N -1 0 324.341 -0.518 20 0 DBADRM Cn1ccc(N2CCC[C@@H](NC(=O)NCCNC(=O)[O-])C2=O)n1 ZINC000831022531 603748207 /nfs/dbraw/zinc/74/82/07/603748207.db2.gz JDJXWWDCPKVLFK-SECBINFHSA-N -1 0 324.341 -0.518 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)COC1CN(C(=O)[O-])C1 ZINC000827470973 603753120 /nfs/dbraw/zinc/75/31/20/603753120.db2.gz GIDREHWCUGUQRI-SECBINFHSA-N -1 0 322.383 -0.353 20 0 DBADRM Cn1ccc(NC(=O)C(=O)N2CCC[C@@H](CNC(=O)[O-])C2)n1 ZINC000831022112 603754803 /nfs/dbraw/zinc/75/48/03/603754803.db2.gz BFELJWSQQMGCFR-VIFPVBQESA-N -1 0 309.326 -0.135 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2CN(C)CCO2)CCN1C(=O)[O-] ZINC000825999990 603758151 /nfs/dbraw/zinc/75/81/51/603758151.db2.gz DPMOUXVUOPZCFY-QWRGUYRKSA-N -1 0 300.359 -0.289 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)[C@H]1CNC(=O)[O-] ZINC000825931786 603759630 /nfs/dbraw/zinc/75/96/30/603759630.db2.gz NAOHHFGIQGSXCW-MNOVXSKESA-N -1 0 321.399 -0.069 20 0 DBADRM C[C@H](CC(=O)N(C)CCN1CCCS1(=O)=O)NC(=O)[O-] ZINC000824550387 603762084 /nfs/dbraw/zinc/76/20/84/603762084.db2.gz FTZKCSYBNGKVSU-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCCN1CCCCC1=O ZINC000831675780 603762895 /nfs/dbraw/zinc/76/28/95/603762895.db2.gz IPXVKHGKVLRLBS-MNOVXSKESA-N -1 0 313.354 -0.382 20 0 DBADRM NC(=O)NC1CCN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000831209116 603763660 /nfs/dbraw/zinc/76/36/60/603763660.db2.gz ZZNHQVOKOULJQB-JTQLQIEISA-N -1 0 313.358 -0.029 20 0 DBADRM CC(C)(C)N1C[C@@H](NC(=O)[C@@H]2COCCN2C(=O)[O-])CC1=O ZINC000823774317 603764510 /nfs/dbraw/zinc/76/45/10/603764510.db2.gz ZGYOCGBZBGUATF-UWVGGRQHSA-N -1 0 313.354 -0.119 20 0 DBADRM O=C(CN1CCS(=O)(=O)CC1)OC[C@@H]1CCN(C(=O)[O-])C1 ZINC000831488816 603764593 /nfs/dbraw/zinc/76/45/93/603764593.db2.gz LBLIBGGMWGJJGA-SNVBAGLBSA-N -1 0 320.367 -0.740 20 0 DBADRM COC(=O)C1(NC(=O)COC2CN(C(=O)[O-])C2)CCCC1 ZINC000828625392 603765023 /nfs/dbraw/zinc/76/50/23/603765023.db2.gz ZPVDDQKNNLGUPX-UHFFFAOYSA-N -1 0 300.311 -0.033 20 0 DBADRM NC(=O)NC1CCN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000831208484 603765100 /nfs/dbraw/zinc/76/51/00/603765100.db2.gz PVCCSYLWKDAGMQ-SNVBAGLBSA-N -1 0 313.358 -0.029 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000829668544 603771102 /nfs/dbraw/zinc/77/11/02/603771102.db2.gz GDAITPVKZYBBLZ-SECBINFHSA-N -1 0 320.367 -0.694 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000826744350 603772362 /nfs/dbraw/zinc/77/23/62/603772362.db2.gz PDICEOIWBJJYHT-JTQLQIEISA-N -1 0 301.343 -0.262 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)[C@H]2COCCN2C(=O)[O-])CCO1 ZINC000828664375 603776114 /nfs/dbraw/zinc/77/61/14/603776114.db2.gz ZMRNQFKLCKPAKU-NXEZZACHSA-N -1 0 316.310 -0.844 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)[C@@H]2COCCN2C(=O)[O-])CCO1 ZINC000828664376 603776162 /nfs/dbraw/zinc/77/61/62/603776162.db2.gz ZMRNQFKLCKPAKU-UWVGGRQHSA-N -1 0 316.310 -0.844 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000828663885 603776167 /nfs/dbraw/zinc/77/61/67/603776167.db2.gz SGKKBYZTJZOUOS-VHSXEESVSA-N -1 0 300.311 -0.223 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNC(=O)NCc1nnnn1C1CC1 ZINC000831730755 603777800 /nfs/dbraw/zinc/77/78/00/603777800.db2.gz LLRCZRFCOKWUHS-VIFPVBQESA-N -1 0 309.330 -0.050 20 0 DBADRM CCn1nc2c(cc1=O)CN(C(=O)COCCNC(=O)[O-])CC2 ZINC000827723886 603780258 /nfs/dbraw/zinc/78/02/58/603780258.db2.gz FQHJINNPVZNILZ-UHFFFAOYSA-N -1 0 324.337 -0.568 20 0 DBADRM CNC(=O)Cc1noc(CN2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)n1 ZINC000828547134 603780338 /nfs/dbraw/zinc/78/03/38/603780338.db2.gz LFUUMPXPHMODCE-DTORHVGOSA-N -1 0 311.342 -0.069 20 0 DBADRM CNC(=O)Cc1noc(CN2CCC[C@H](N(C)C(=O)[O-])C2)n1 ZINC000828547589 603780340 /nfs/dbraw/zinc/78/03/40/603780340.db2.gz TUUOFGXXGWPJDC-VIFPVBQESA-N -1 0 311.342 -0.068 20 0 DBADRM CNC(=O)Cc1noc(CN2CCC[C@H]2CN(C)C(=O)[O-])n1 ZINC000828547626 603781016 /nfs/dbraw/zinc/78/10/16/603781016.db2.gz URPJZTIYJNEXEN-VIFPVBQESA-N -1 0 311.342 -0.068 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828684400 603787201 /nfs/dbraw/zinc/78/72/01/603787201.db2.gz UTLGARIGQNSVCI-MADCSZMMSA-N -1 0 320.273 -0.701 20 0 DBADRM Cc1cc(C)n(C2CN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])C2)n1 ZINC000830017232 603788353 /nfs/dbraw/zinc/78/83/53/603788353.db2.gz NKHNLJFAAPJSTE-NWDGAFQWSA-N -1 0 308.338 -0.004 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCN1CCSCC1 ZINC000831689688 603789461 /nfs/dbraw/zinc/78/94/61/603789461.db2.gz VWKGARVPOJXKMH-ZJUUUORDSA-N -1 0 303.384 -0.735 20 0 DBADRM CCNC(=O)NC(=O)COC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000827248888 603790789 /nfs/dbraw/zinc/79/07/89/603790789.db2.gz HWNDCYRAGLVKIO-LLVKDONJSA-N -1 0 305.262 -0.533 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000828599517 603791167 /nfs/dbraw/zinc/79/11/67/603791167.db2.gz AMBJEOPTHSQLMW-IUCAKERBSA-N -1 0 308.356 -0.191 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000828607770 603791693 /nfs/dbraw/zinc/79/16/93/603791693.db2.gz MEYQXPNYCZGIFC-VXNVDRBHSA-N -1 0 308.356 -0.239 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000828607766 603791716 /nfs/dbraw/zinc/79/17/16/603791716.db2.gz MEYQXPNYCZGIFC-CBAPKCEASA-N -1 0 308.356 -0.239 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)CC2CN(C(=O)[O-])C2)C1 ZINC000828574043 603795477 /nfs/dbraw/zinc/79/54/77/603795477.db2.gz ZPSIVIJRIROHPO-JTQLQIEISA-N -1 0 319.383 -0.474 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000826922341 603800065 /nfs/dbraw/zinc/80/00/65/603800065.db2.gz WZOHJLFVEDEXSZ-NSHDSACASA-N -1 0 314.386 -0.345 20 0 DBADRM Cc1cc(N2CC[C@@H](OC(=O)CN(C)C(=O)[O-])C2=O)n(C)n1 ZINC000830077322 603803903 /nfs/dbraw/zinc/80/39/03/603803903.db2.gz DCEGVFDSMKAYPM-SECBINFHSA-N -1 0 310.310 -0.013 20 0 DBADRM COC(=O)[C@]1(F)CCN(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000828625083 603804727 /nfs/dbraw/zinc/80/47/27/603804727.db2.gz VRQYFPWIJRXLEG-LBPRGKRZSA-N -1 0 304.274 -0.521 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)CC2CN(C(=O)[O-])C2)C1 ZINC000829686634 603813483 /nfs/dbraw/zinc/81/34/83/603813483.db2.gz DXKAUXXCODBILI-SECBINFHSA-N -1 0 305.356 -0.864 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)CC3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000831004200 603815958 /nfs/dbraw/zinc/81/59/58/603815958.db2.gz DKYWDJSCCJTXPT-NSHDSACASA-N -1 0 321.337 -0.359 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCCCN2CCOCC2)C1 ZINC000831903722 603816162 /nfs/dbraw/zinc/81/61/62/603816162.db2.gz ZOUACHWNFCXRPX-ZDUSSCGKSA-N -1 0 303.334 -0.083 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000825778833 603818463 /nfs/dbraw/zinc/81/84/63/603818463.db2.gz UGUAISOAOZFHBV-KATARQTJSA-N -1 0 320.367 -0.866 20 0 DBADRM CC(C)c1nncn1CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000824511112 603818472 /nfs/dbraw/zinc/81/84/72/603818472.db2.gz OEOZXZRALVCFLP-UWVGGRQHSA-N -1 0 311.342 -0.369 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N(C)CCCNC(=O)[O-] ZINC000827045051 603818992 /nfs/dbraw/zinc/81/89/92/603818992.db2.gz FUHSIZYMGFUMJM-UHFFFAOYSA-N -1 0 309.388 -0.226 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)N[C@@H](CNC(=O)[O-])C2CC2)cn1 ZINC000830993867 603819100 /nfs/dbraw/zinc/81/91/00/603819100.db2.gz NPHGGJYBFYHXFV-WDEREUQCSA-N -1 0 311.342 -0.201 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000829797019 603819319 /nfs/dbraw/zinc/81/93/19/603819319.db2.gz LAHMPNJMCTVLTO-UJVNDKKSSA-N -1 0 312.326 -0.521 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000829669906 603822563 /nfs/dbraw/zinc/82/25/63/603822563.db2.gz RLWSYGRYYXVXOE-IUCAKERBSA-N -1 0 320.367 -0.959 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)COC2CN(C(=O)[O-])C2)CCO1 ZINC000828662943 603823392 /nfs/dbraw/zinc/82/33/92/603823392.db2.gz HQSVXFKBDWAZLL-SECBINFHSA-N -1 0 316.310 -0.844 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)CC3CN(C(=O)[O-])C3)CCN2C1=O ZINC000827199697 603828252 /nfs/dbraw/zinc/82/82/52/603828252.db2.gz PVBBGKKXNHQAQU-SNVBAGLBSA-N -1 0 324.337 -0.519 20 0 DBADRM C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@@H]1NC(=O)[O-] ZINC000826042845 603828424 /nfs/dbraw/zinc/82/84/24/603828424.db2.gz UHHGVXMBAGKQSZ-SFYZADRCSA-N -1 0 307.310 -0.306 20 0 DBADRM CCN(CC)C(=O)[C@H](C)OC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000827019720 603828407 /nfs/dbraw/zinc/82/84/07/603828407.db2.gz CENAEEMKFOJHAA-IVZWLZJFSA-N -1 0 302.327 -0.100 20 0 DBADRM CCN(CCCNC(=O)N1CCN2C(=O)NC[C@@H]2C1)C(=O)[O-] ZINC000827116595 603829342 /nfs/dbraw/zinc/82/93/42/603829342.db2.gz LSALWIUDRVYGDR-SNVBAGLBSA-N -1 0 313.358 -0.205 20 0 DBADRM CSCC[C@@H](NC(=O)[O-])C(=O)NC[C@@H](O)c1cnn(C)c1 ZINC000829729125 603829423 /nfs/dbraw/zinc/82/94/23/603829423.db2.gz CEXHWJPGEFCYFF-NXEZZACHSA-N -1 0 316.383 -0.041 20 0 DBADRM COCCN(CC(=O)NC[C@@H](O)c1cnn(C)c1)C(=O)[O-] ZINC000828976810 603829709 /nfs/dbraw/zinc/82/97/09/603829709.db2.gz UEWSETJWUGIZDD-SNVBAGLBSA-N -1 0 300.315 -0.804 20 0 DBADRM CCCCNC(=O)[C@H](C)OC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000826836423 603830477 /nfs/dbraw/zinc/83/04/77/603830477.db2.gz KORSCHIALIOPCS-LPEHRKFASA-N -1 0 302.327 -0.052 20 0 DBADRM CCN(CC(=O)OCc1nc(CS(C)(=O)=O)no1)C(=O)[O-] ZINC000827014845 603832004 /nfs/dbraw/zinc/83/20/04/603832004.db2.gz WDGTYEUAEILUSU-UHFFFAOYSA-N -1 0 321.311 -0.343 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN([C@@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000827881936 603832757 /nfs/dbraw/zinc/83/27/57/603832757.db2.gz JAELXPRTPJDNBY-VHSXEESVSA-N -1 0 319.321 -0.207 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000827046667 603833051 /nfs/dbraw/zinc/83/30/51/603833051.db2.gz YOKSWRVLUARQIU-SNVBAGLBSA-N -1 0 321.399 -0.180 20 0 DBADRM CNC(=O)Cc1noc(CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)n1 ZINC000828546332 603833571 /nfs/dbraw/zinc/83/35/71/603833571.db2.gz CRONCJBJRPZPFI-RKDXNWHRSA-N -1 0 311.342 -0.164 20 0 DBADRM CNC(=O)Cc1noc(CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)n1 ZINC000828546330 603833595 /nfs/dbraw/zinc/83/35/95/603833595.db2.gz CRONCJBJRPZPFI-DTWKUNHWSA-N -1 0 311.342 -0.164 20 0 DBADRM CC1N=NC(=S)N1CCNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000830894970 603833845 /nfs/dbraw/zinc/83/38/45/603833845.db2.gz ZLOBKMLDDCFQEL-QMMMGPOBSA-N -1 0 315.355 -0.630 20 0 DBADRM NC(=O)c1nccnc1C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000831238942 603843230 /nfs/dbraw/zinc/84/32/30/603843230.db2.gz BUDKRLMVHPKALC-HTQZYQBOSA-N -1 0 307.310 -0.258 20 0 DBADRM NC(=O)c1nccnc1C(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000831238947 603843250 /nfs/dbraw/zinc/84/32/50/603843250.db2.gz BUDKRLMVHPKALC-SFYZADRCSA-N -1 0 307.310 -0.258 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000824907885 603843259 /nfs/dbraw/zinc/84/32/59/603843259.db2.gz OZLDEPZTVIYNOI-ZWNOBZJWSA-N -1 0 303.334 -0.085 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000831260267 603844329 /nfs/dbraw/zinc/84/43/29/603844329.db2.gz LZUMHYHMWNPSHO-RITPCOANSA-N -1 0 311.298 -0.364 20 0 DBADRM CO[C@H]1CCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000829060856 603846386 /nfs/dbraw/zinc/84/63/86/603846386.db2.gz FBDOMRPXSMCTQZ-JTQLQIEISA-N -1 0 314.342 -0.761 20 0 DBADRM C[C@H](OC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-])C(=O)N1CCNC1=O ZINC000825561846 603846501 /nfs/dbraw/zinc/84/65/01/603846501.db2.gz RLOGYVJGTCGKSR-CIUDSAMLSA-N -1 0 313.310 -0.094 20 0 DBADRM CC[C@H](NC(=O)NCCCNC(=O)[O-])C(=O)N1CCOCC1 ZINC000826613893 603852296 /nfs/dbraw/zinc/85/22/96/603852296.db2.gz UFMMHLKALNNSLU-JTQLQIEISA-N -1 0 316.358 -0.419 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)NCCCNC(=O)[O-])CCO1 ZINC000828662925 603852983 /nfs/dbraw/zinc/85/29/83/603852983.db2.gz HHONGGLSFDMJBD-SECBINFHSA-N -1 0 303.315 -0.382 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)N1CCS(=O)(=O)CC1 ZINC000832467537 603858406 /nfs/dbraw/zinc/85/84/06/603858406.db2.gz PMNSHUCOVTZXCR-VHSXEESVSA-N -1 0 319.383 -0.137 20 0 DBADRM COCCOC[C@@H]1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000829002549 603861434 /nfs/dbraw/zinc/86/14/34/603861434.db2.gz WXXCAABBQCORRW-GRYCIOLGSA-N -1 0 316.354 -0.389 20 0 DBADRM O=C(CC1CN(C(=O)[O-])C1)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000831356091 603870897 /nfs/dbraw/zinc/87/08/97/603870897.db2.gz VFGPMBOIOPWYGN-OTYXRUKQSA-N -1 0 324.337 -0.519 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000827475249 603877502 /nfs/dbraw/zinc/87/75/02/603877502.db2.gz HQLFSUIBJQNJAJ-LLVKDONJSA-N -1 0 307.372 -0.568 20 0 DBADRM CC[C@@H](O)CN1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000826626236 603883315 /nfs/dbraw/zinc/88/33/15/603883315.db2.gz SYAWQDOJGZQOIN-RISCZKNCSA-N -1 0 317.361 -0.007 20 0 DBADRM CO[C@H]1C[C@@H](NC(=O)CN2CCN(C(=O)[O-])CC2=O)C1(C)C ZINC000828873292 603883941 /nfs/dbraw/zinc/88/39/41/603883941.db2.gz AQBNTASWGWTLML-ZJUUUORDSA-N -1 0 313.354 -0.262 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@@]2(C)CCN(C(=O)[O-])C2)CC1 ZINC000828880299 603886688 /nfs/dbraw/zinc/88/66/88/603886688.db2.gz IDSLVZXVLFCRRG-AWEZNQCLSA-N -1 0 313.354 -0.306 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000823578773 603900149 /nfs/dbraw/zinc/90/01/49/603900149.db2.gz BFTTZYBFDRXSQO-ZWNOBZJWSA-N -1 0 317.317 -0.558 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000829688959 603900905 /nfs/dbraw/zinc/90/09/05/603900905.db2.gz YGEWHSAITWMWEU-KCJUWKMLSA-N -1 0 323.346 -0.772 20 0 DBADRM COCCCNC(=O)COC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000828950905 603909972 /nfs/dbraw/zinc/90/99/72/603909972.db2.gz WHEBYZQXIRHBRS-VIFPVBQESA-N -1 0 304.299 -0.939 20 0 DBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)NCc1nnnn1C1CC1 ZINC000832557726 603910035 /nfs/dbraw/zinc/91/00/35/603910035.db2.gz YWYUERPOJRISOV-VIFPVBQESA-N -1 0 309.330 -0.050 20 0 DBADRM CN(C1CC1)S(=O)(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000828080412 603911017 /nfs/dbraw/zinc/91/10/17/603911017.db2.gz BYONOORPDLDHLV-UHFFFAOYSA-N -1 0 320.415 -0.399 20 0 DBADRM CCCN1C(=O)C(=O)N(CN2CC[C@@H](N(C)C(=O)[O-])C2)C1=O ZINC000826915978 603918436 /nfs/dbraw/zinc/91/84/36/603918436.db2.gz BARVFXCPTGQRQZ-SECBINFHSA-N -1 0 312.326 -0.171 20 0 DBADRM CC(C)(CNC(=O)NCCC(=O)N1CCOCC1)NC(=O)[O-] ZINC000823936592 603919440 /nfs/dbraw/zinc/91/94/40/603919440.db2.gz JHMQVSVESAGGFU-UHFFFAOYSA-N -1 0 316.358 -0.419 20 0 DBADRM CNC(=O)N1CCN(C(=O)[C@@H](CCSC)NC(=O)[O-])CC1 ZINC000828552453 603948140 /nfs/dbraw/zinc/94/81/40/603948140.db2.gz RNSJNTCZZDAVKI-SECBINFHSA-N -1 0 318.399 -0.141 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NC[C@H](O)COCC2CC2)C1 ZINC000831894811 603950612 /nfs/dbraw/zinc/95/06/12/603950612.db2.gz JRRBGBOTKNGDRK-GWCFXTLKSA-N -1 0 304.318 -0.018 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NC[C@H](O)COCC2CC2)C1 ZINC000831894812 603950981 /nfs/dbraw/zinc/95/09/81/603950981.db2.gz JRRBGBOTKNGDRK-GXFFZTMASA-N -1 0 304.318 -0.018 20 0 DBADRM COC(=O)C[C@H](C)N1CCN(C(=O)[C@H](C)NC(=O)[O-])CC1 ZINC000828647407 603952678 /nfs/dbraw/zinc/95/26/78/603952678.db2.gz PRDITUJSEZTUGS-UWVGGRQHSA-N -1 0 301.343 -0.262 20 0 DBADRM Cn1ccc(C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)n1 ZINC000831018369 603955757 /nfs/dbraw/zinc/95/57/57/603955757.db2.gz FSVALNQZHGUPMN-UHFFFAOYSA-N -1 0 320.313 -0.410 20 0 DBADRM COC(C)(C)C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000828818047 603957076 /nfs/dbraw/zinc/95/70/76/603957076.db2.gz QFFCGGSKKUHUPE-UHFFFAOYSA-N -1 0 312.330 -0.032 20 0 DBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3cc[nH]n3)n2)CC1 ZINC000831815861 603957151 /nfs/dbraw/zinc/95/71/51/603957151.db2.gz UECZJGIVGQXXBN-UHFFFAOYSA-N -1 0 306.286 -0.420 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)c2ccc3nnnn3c2)CC1 ZINC000831689516 603957457 /nfs/dbraw/zinc/95/74/57/603957457.db2.gz SMJOVHHSKSDFKH-UHFFFAOYSA-N -1 0 319.325 -0.850 20 0 DBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)[C@@H]3CCOC3)n2)CC1 ZINC000831810943 603958745 /nfs/dbraw/zinc/95/87/45/603958745.db2.gz VGEBCQXASFYWSE-MRVPVSSYSA-N -1 0 310.314 -0.420 20 0 DBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3c[nH]cn3)n2)CC1 ZINC000831815545 603958762 /nfs/dbraw/zinc/95/87/62/603958762.db2.gz MHPJPACNMQNVMM-UHFFFAOYSA-N -1 0 306.286 -0.420 20 0 DBADRM CN1CCC[C@H](NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1=O ZINC000828480176 603962138 /nfs/dbraw/zinc/96/21/38/603962138.db2.gz DNSPPXQJMYVHSN-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828684278 603968193 /nfs/dbraw/zinc/96/81/93/603968193.db2.gz SFZIFMUZUZCBLV-BDAKNGLRSA-N -1 0 316.310 -0.403 20 0 DBADRM NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)COCCNC(=O)[O-] ZINC000831172748 603969733 /nfs/dbraw/zinc/96/97/33/603969733.db2.gz JWXQGVWQHOQNSK-NXEZZACHSA-N -1 0 301.343 -0.179 20 0 DBADRM O=C([O-])N1CC(OCC(=O)Oc2ccc(-n3cnnn3)cc2)C1 ZINC000831545683 603970323 /nfs/dbraw/zinc/97/03/23/603970323.db2.gz SWSRWUGJTTVTSU-UHFFFAOYSA-N -1 0 319.277 -0.054 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)C(C)(C)NC(=O)[O-])CC2 ZINC000829049474 603971643 /nfs/dbraw/zinc/97/16/43/603971643.db2.gz HHTBACPRPXBHQJ-QMMMGPOBSA-N -1 0 311.342 -0.098 20 0 DBADRM NC(=O)COc1cccc(NC(=O)COC2CN(C(=O)[O-])C2)c1 ZINC000831195033 603972281 /nfs/dbraw/zinc/97/22/81/603972281.db2.gz WPPWOGUXFBRHHW-UHFFFAOYSA-N -1 0 323.305 -0.132 20 0 DBADRM O=C([O-])N1CC(OCC(=O)Nc2ccc(-n3cncn3)nc2)C1 ZINC000831537413 603974670 /nfs/dbraw/zinc/97/46/70/603974670.db2.gz BTGUFYGQHBEWDD-UHFFFAOYSA-N -1 0 318.293 -0.020 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000827976927 603976928 /nfs/dbraw/zinc/97/69/28/603976928.db2.gz ZXXPCQHFIPDZIM-UHFFFAOYSA-N -1 0 314.342 -0.809 20 0 DBADRM CCCC[C@H](CNC(=O)[O-])NC(=O)CN1CCC(=O)NC1=O ZINC000826780249 603977198 /nfs/dbraw/zinc/97/71/98/603977198.db2.gz FUZAQJCSIWTREM-SECBINFHSA-N -1 0 314.342 -0.129 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCCC(=O)N1CCCCC1 ZINC000831533008 603979790 /nfs/dbraw/zinc/97/97/90/603979790.db2.gz ABSRYAWRVNVXLJ-UHFFFAOYSA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000831574594 603980519 /nfs/dbraw/zinc/98/05/19/603980519.db2.gz XHQHMXQXQLGGOM-LLVKDONJSA-N -1 0 311.338 -0.365 20 0 DBADRM COC(=O)Cc1nc(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)n[nH]1 ZINC000828700484 603984651 /nfs/dbraw/zinc/98/46/51/603984651.db2.gz WDBRHDFZTYZURH-RNFRBKRXSA-N -1 0 311.298 -0.105 20 0 DBADRM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCO[C@@H](CO)C1 ZINC000832757299 603990126 /nfs/dbraw/zinc/99/01/26/603990126.db2.gz ARTOFOKMWWSVPH-ILXRZTDVSA-N -1 0 324.377 -0.081 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)n1 ZINC000827965638 603991172 /nfs/dbraw/zinc/99/11/72/603991172.db2.gz DWUWPJKJOMTPPR-BDAKNGLRSA-N -1 0 324.341 -0.259 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000831265533 603996984 /nfs/dbraw/zinc/99/69/84/603996984.db2.gz OFZGIZZZALIZGA-MRVPVSSYSA-N -1 0 319.325 -0.333 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000824840050 603997381 /nfs/dbraw/zinc/99/73/81/603997381.db2.gz IFJFDZLZCPHQFQ-SNVBAGLBSA-N -1 0 323.353 -0.159 20 0 DBADRM CN(CCCNC(=O)NCC(C)(C)NC(=O)[O-])S(C)(=O)=O ZINC000828293779 604000855 /nfs/dbraw/zinc/00/08/55/604000855.db2.gz RBTCVZFYFUFCFH-UHFFFAOYSA-N -1 0 324.403 -0.387 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000824035166 604000975 /nfs/dbraw/zinc/00/09/75/604000975.db2.gz ONPALERHZPKJBN-UHFFFAOYSA-N -1 0 315.370 -0.720 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)NCc1ccc(C(N)=O)nc1 ZINC000824961320 604002582 /nfs/dbraw/zinc/00/25/82/604002582.db2.gz ZQAAHOLEDGNCLK-QMMMGPOBSA-N -1 0 309.326 -0.022 20 0 DBADRM NS(=O)(=O)CCNC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000831246336 604002984 /nfs/dbraw/zinc/00/29/84/604002984.db2.gz PQJKBOFJMIYHFW-SFYZADRCSA-N -1 0 308.360 -0.990 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000831223001 604004511 /nfs/dbraw/zinc/00/45/11/604004511.db2.gz UNGYERZNUGDBRD-UHFFFAOYSA-N -1 0 307.310 -0.314 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000831199744 604005161 /nfs/dbraw/zinc/00/51/61/604005161.db2.gz ICIHIHSYDOMOCT-YUMQZZPRSA-N -1 0 300.315 -0.486 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000831199743 604005213 /nfs/dbraw/zinc/00/52/13/604005213.db2.gz ICIHIHSYDOMOCT-SFYZADRCSA-N -1 0 300.315 -0.486 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)c1ccc(NC(=O)[O-])cc1O ZINC000831209047 604005693 /nfs/dbraw/zinc/00/56/93/604005693.db2.gz YWXMCEGLZBHJTN-UHFFFAOYSA-N -1 0 310.266 -0.203 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000831199741 604005727 /nfs/dbraw/zinc/00/57/27/604005727.db2.gz ICIHIHSYDOMOCT-HTQZYQBOSA-N -1 0 300.315 -0.486 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCO[C@H](Cn3cccn3)C2)C1 ZINC000831858192 604006517 /nfs/dbraw/zinc/00/65/17/604006517.db2.gz JGHHABRQARZSPA-LBPRGKRZSA-N -1 0 324.337 -0.511 20 0 DBADRM NC(=O)[C@H]1CCCCC[C@H]1NC(=O)COC1CN(C(=O)[O-])C1 ZINC000831173751 604007076 /nfs/dbraw/zinc/00/70/76/604007076.db2.gz NZMDYBWZPYXUFP-WDEREUQCSA-N -1 0 313.354 -0.084 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCn3c(nnc3C3CC3)C2)C1 ZINC000831859113 604008605 /nfs/dbraw/zinc/00/86/05/604008605.db2.gz SKUDAHVMPSADSI-UHFFFAOYSA-N -1 0 321.337 -0.124 20 0 DBADRM C[C@H](CNC(=O)COC1CN(C(=O)[O-])C1)CN1CCOCC1 ZINC000824923275 604014010 /nfs/dbraw/zinc/01/40/10/604014010.db2.gz XPOZFGUQBZIQTH-LLVKDONJSA-N -1 0 315.370 -0.550 20 0 DBADRM CN(Cn1nnc2c(cnn2C)c1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828434812 604017318 /nfs/dbraw/zinc/01/73/18/604017318.db2.gz NNSRXRFQJBMNLN-MRVPVSSYSA-N -1 0 307.314 -0.833 20 0 DBADRM CCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827241648 604017544 /nfs/dbraw/zinc/01/75/44/604017544.db2.gz AVXRIQHGXYBKEV-UHFFFAOYSA-N -1 0 320.371 -0.975 20 0 DBADRM Cn1ncc2c1nnn(CN1CCC[C@@H](CNC(=O)[O-])C1)c2=O ZINC000831055538 604018051 /nfs/dbraw/zinc/01/80/51/604018051.db2.gz XXXSORGMTAHEQB-VIFPVBQESA-N -1 0 321.341 -0.538 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000825267514 604024841 /nfs/dbraw/zinc/02/48/41/604024841.db2.gz YYHFVVXXPSLBCE-IUCAKERBSA-N -1 0 312.326 -0.267 20 0 DBADRM Cc1cccn2c(=O)cc(Cn3nnnc3CNC(=O)[O-])nc12 ZINC000830590693 604031292 /nfs/dbraw/zinc/03/12/92/604031292.db2.gz GSMXAHMWMPEGDO-UHFFFAOYSA-N -1 0 315.293 -0.195 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000825170685 604054577 /nfs/dbraw/zinc/05/45/77/604054577.db2.gz CSXBKTIAQLBJFL-NXEZZACHSA-N -1 0 321.399 -0.780 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)C(=O)N1CCNC1=O ZINC000825551720 604055730 /nfs/dbraw/zinc/05/57/30/604055730.db2.gz JWJSANFXDCBPIB-DJLDLDEBSA-N -1 0 313.310 -0.094 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828684238 604056393 /nfs/dbraw/zinc/05/63/93/604056393.db2.gz ROPMQMXSWIYSPX-DJLDLDEBSA-N -1 0 316.310 -0.356 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OC[C@@H]1CCN(C(=O)[O-])C1 ZINC000825514560 604065904 /nfs/dbraw/zinc/06/59/04/604065904.db2.gz HOUPUTDJVSGNBA-IQJOONFLSA-N -1 0 314.338 -0.195 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)CC1(NC(=O)[O-])CCC1 ZINC000828095770 604067588 /nfs/dbraw/zinc/06/75/88/604067588.db2.gz NBYJSFKEGKUVOW-UHFFFAOYSA-N -1 0 313.354 -0.116 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000824833708 604073901 /nfs/dbraw/zinc/07/39/01/604073901.db2.gz PNZXEBQFZKTIFQ-VIFPVBQESA-N -1 0 321.399 -0.228 20 0 DBADRM CC(C)(CCO)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000823895153 604074568 /nfs/dbraw/zinc/07/45/68/604074568.db2.gz PAMFCMGJRYQPCL-UHFFFAOYSA-N -1 0 316.402 -0.010 20 0 DBADRM Cn1cc(N2CCN(C(=O)NCCNC(=O)[O-])CC2=O)cn1 ZINC000831008751 604074922 /nfs/dbraw/zinc/07/49/22/604074922.db2.gz BCOMNKUOUMSBHA-UHFFFAOYSA-N -1 0 310.314 -0.954 20 0 DBADRM NC(=O)CN1CCC(NC(=O)CC2(NC(=O)[O-])CCC2)CC1 ZINC000831189534 604077775 /nfs/dbraw/zinc/07/77/75/604077775.db2.gz AKPMYSRJVQIAQR-UHFFFAOYSA-N -1 0 312.370 -0.367 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCC(=O)NC(N)=O ZINC000826109310 604080310 /nfs/dbraw/zinc/08/03/10/604080310.db2.gz JTWWBLFBIUSQMV-POYBYMJQSA-N -1 0 316.314 -0.809 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000831199611 604080812 /nfs/dbraw/zinc/08/08/12/604080812.db2.gz FTXDAWXGDBRGJF-JTQLQIEISA-N -1 0 322.321 -0.434 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])CC1 ZINC000827243233 604082828 /nfs/dbraw/zinc/08/28/28/604082828.db2.gz XCRAUWXTOFRRRB-NSHDSACASA-N -1 0 314.386 -0.487 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000828540758 604090289 /nfs/dbraw/zinc/09/02/89/604090289.db2.gz ALFGGTQQKHQBMA-QWRGUYRKSA-N -1 0 312.370 -0.687 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000824833322 604093036 /nfs/dbraw/zinc/09/30/36/604093036.db2.gz NBMSWPZYNFFEKJ-VHSXEESVSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@@H](OC(=O)[C@@]1(C)CCN(C(=O)[O-])C1)C(=O)N1CCNC1=O ZINC000825535365 604106172 /nfs/dbraw/zinc/10/61/72/604106172.db2.gz KVWHDPMQCPPHBV-OQPBUACISA-N -1 0 313.310 -0.140 20 0 DBADRM C[C@H](CCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)NC(=O)[O-] ZINC000824787422 604109481 /nfs/dbraw/zinc/10/94/81/604109481.db2.gz XIYWFLDTDNWZFI-RKDXNWHRSA-N -1 0 309.326 -0.075 20 0 DBADRM O=C([O-])NC[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000832582161 604111139 /nfs/dbraw/zinc/11/11/39/604111139.db2.gz BXUPBUWJRDGNNQ-ZJUUUORDSA-N -1 0 321.337 -0.121 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)NC(=O)[O-] ZINC000823900643 604113723 /nfs/dbraw/zinc/11/37/23/604113723.db2.gz RHDKYTGUBIGMHX-MRVPVSSYSA-N -1 0 309.326 -0.075 20 0 DBADRM CC(=O)NCC(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000823575460 604116296 /nfs/dbraw/zinc/11/62/96/604116296.db2.gz RCDUHXMBQVDWLY-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM NC(=O)NCC(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000831208298 604117016 /nfs/dbraw/zinc/11/70/16/604117016.db2.gz MZMIAQSCZRAQRN-UHFFFAOYSA-N -1 0 302.331 -0.680 20 0 DBADRM O=C([O-])NCCCOC1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000832621592 604117983 /nfs/dbraw/zinc/11/79/83/604117983.db2.gz RHRCKOHOEPNPSR-NSHDSACASA-N -1 0 313.354 -0.070 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000824855799 604121361 /nfs/dbraw/zinc/12/13/61/604121361.db2.gz VMMIMYUTMBCVRO-SNVBAGLBSA-N -1 0 321.399 -0.921 20 0 DBADRM CC(C)(CNC(=O)NCC(C)(C)NS(C)(=O)=O)NC(=O)[O-] ZINC000823930896 604122041 /nfs/dbraw/zinc/12/20/41/604122041.db2.gz QTRNBGJZWLUHHD-UHFFFAOYSA-N -1 0 324.403 -0.340 20 0 DBADRM CN(Cc1nc[nH]n1)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000828427227 604131330 /nfs/dbraw/zinc/13/13/30/604131330.db2.gz XJLKNAUWUIRIAS-UHFFFAOYSA-N -1 0 310.358 -0.163 20 0 DBADRM O=C([O-])NCCCNC(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000832612032 604146715 /nfs/dbraw/zinc/14/67/15/604146715.db2.gz ADPYMAZAJGFTQD-UHFFFAOYSA-N -1 0 319.268 -0.139 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C2(O)CCCCC2)CC1 ZINC000832018925 604152182 /nfs/dbraw/zinc/15/21/82/604152182.db2.gz SVWBTPRPPWZFLR-UHFFFAOYSA-N -1 0 313.354 -0.380 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCN(CCO)CC1 ZINC000826099160 604159070 /nfs/dbraw/zinc/15/90/70/604159070.db2.gz ADQWUDXZWNLWBB-MNOVXSKESA-N -1 0 315.370 -0.374 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000824831872 604168886 /nfs/dbraw/zinc/16/88/86/604168886.db2.gz HGMQMJDYXAVBKF-RKDXNWHRSA-N -1 0 307.372 -0.488 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000828971512 604170094 /nfs/dbraw/zinc/17/00/94/604170094.db2.gz YOFDJUMDYLCKPV-SNVBAGLBSA-N -1 0 303.359 -0.205 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC2CCN(C(=O)[O-])CC2)n(C)n1 ZINC000738234090 604172682 /nfs/dbraw/zinc/17/26/82/604172682.db2.gz GNWLJBGMJMMYOY-UHFFFAOYSA-N -1 0 309.326 -0.074 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)N1CCO[C@H](CO)C1 ZINC000832465972 604176758 /nfs/dbraw/zinc/17/67/58/604176758.db2.gz IPUSEJTTYHMFPL-GARJFASQSA-N -1 0 301.343 -0.175 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)CC2(NC(=O)[O-])CCC2)C1 ZINC000829688811 604178502 /nfs/dbraw/zinc/17/85/02/604178502.db2.gz WPZFIJLVBALCBC-VIFPVBQESA-N -1 0 319.383 -0.283 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC000825209172 604194844 /nfs/dbraw/zinc/19/48/44/604194844.db2.gz BGGOZJDMMRGFOG-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@H](COC(=O)C1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000824987056 604195174 /nfs/dbraw/zinc/19/51/74/604195174.db2.gz KWTLFGJXDAVNTG-QMMMGPOBSA-N -1 0 308.356 -0.143 20 0 DBADRM CN(CC(=O)N1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1)C(=O)[O-] ZINC000828091221 604213490 /nfs/dbraw/zinc/21/34/90/604213490.db2.gz WIUDJXQKAFEQOD-AMIZOPFISA-N -1 0 312.326 -0.567 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000825253846 604217491 /nfs/dbraw/zinc/21/74/91/604217491.db2.gz KTZKKTLXANTEEK-RKDXNWHRSA-N -1 0 324.337 -0.006 20 0 DBADRM COCCN1C[C@H](C(=O)OC2(C)CN(C(=O)[O-])C2)CC1=O ZINC000828985605 604221282 /nfs/dbraw/zinc/22/12/82/604221282.db2.gz QAGVIYKCNCGSJD-SECBINFHSA-N -1 0 300.311 -0.223 20 0 DBADRM CN(CC(=O)O[C@@H]1CCN(C2CCOCC2)C1=O)C(=O)[O-] ZINC000828120302 604228377 /nfs/dbraw/zinc/22/83/77/604228377.db2.gz JAVRLKNVFVHYEV-SNVBAGLBSA-N -1 0 300.311 -0.081 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000828671337 604230182 /nfs/dbraw/zinc/23/01/82/604230182.db2.gz SSUUHYGRPPHJFW-SECBINFHSA-N -1 0 323.371 -0.542 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NC1CCN(C(=O)[O-])CC1 ZINC000828607648 604243720 /nfs/dbraw/zinc/24/37/20/604243720.db2.gz LSBAAUHLTPSZCX-MRVPVSSYSA-N -1 0 308.356 -0.143 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)OCCCN1C(=O)CNC1=O ZINC000824889691 604244177 /nfs/dbraw/zinc/24/41/77/604244177.db2.gz QSWXCJFZDHTTQO-QMMMGPOBSA-N -1 0 301.299 -0.283 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)OCC(=O)NC(=O)NC1CC1 ZINC000824890932 604247303 /nfs/dbraw/zinc/24/73/03/604247303.db2.gz YAWQOTZFKBBEAF-ZETCQYMHSA-N -1 0 301.299 -0.236 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2COCCN2C(=O)[O-])C[C@H]1C ZINC000828639353 604247672 /nfs/dbraw/zinc/24/76/72/604247672.db2.gz GHZXZSAYXOAVEB-BBBLOLIVSA-N -1 0 300.311 -0.367 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])O[C@@H]1CCS(=O)(=O)C1 ZINC000831480166 604248116 /nfs/dbraw/zinc/24/81/16/604248116.db2.gz PLFUBXMXGZXTNN-NXEZZACHSA-N -1 0 321.351 -0.124 20 0 DBADRM CS(=O)(=O)NCCOC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000829688920 604252789 /nfs/dbraw/zinc/25/27/89/604252789.db2.gz XGYWJRRVXCNDKA-DTWKUNHWSA-N -1 0 308.356 -0.095 20 0 DBADRM COC(=O)[C@@]1(F)CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828623455 604264516 /nfs/dbraw/zinc/26/45/16/604264516.db2.gz CVCQIQYINWAWPC-NOZJJQNGSA-N -1 0 318.301 -0.131 20 0 DBADRM C[C@H](CCNC(=O)NC[C@@H]1CCCS1(=O)=O)NC(=O)[O-] ZINC000824793514 604269320 /nfs/dbraw/zinc/26/93/20/604269320.db2.gz LPISKVYEEYVNEQ-BDAKNGLRSA-N -1 0 307.372 -0.091 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000831373784 604273322 /nfs/dbraw/zinc/27/33/22/604273322.db2.gz CIRWMWLICLDOJR-KOLCDFICSA-N -1 0 311.338 -0.365 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N(C)C2CCN(C(=O)[O-])CC2)nn1 ZINC000825528509 604274619 /nfs/dbraw/zinc/27/46/19/604274619.db2.gz OMNJQNHENHFRHZ-SECBINFHSA-N -1 0 311.342 -0.068 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NC[C@H](O)C1CCOCC1 ZINC000831621571 604276779 /nfs/dbraw/zinc/27/67/79/604276779.db2.gz NXCSSWRYAOFHMR-ZJUUUORDSA-N -1 0 304.368 -0.057 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCC(CNC(=O)[O-])CC2)nn1 ZINC000825528558 604277709 /nfs/dbraw/zinc/27/77/09/604277709.db2.gz PHIXJGHKNQTKDF-VIFPVBQESA-N -1 0 311.342 -0.162 20 0 DBADRM COC(=O)CC1(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCC1 ZINC000828655161 604277889 /nfs/dbraw/zinc/27/78/89/604277889.db2.gz BRGBAYZKKKNSPQ-VIFPVBQESA-N -1 0 300.311 -0.033 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)nn1 ZINC000825528858 604278741 /nfs/dbraw/zinc/27/87/41/604278741.db2.gz URFOKQSEDPRJBC-UWVGGRQHSA-N -1 0 311.342 -0.068 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCC[C@@H]2CN(C)C(=O)[O-])nn1 ZINC000825528965 604279852 /nfs/dbraw/zinc/27/98/52/604279852.db2.gz WOYQPDZMSTZWAY-NXEZZACHSA-N -1 0 311.342 -0.068 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCC[C@@H]2CN(C)C(=O)[O-])nn1 ZINC000825528967 604279854 /nfs/dbraw/zinc/27/98/54/604279854.db2.gz WOYQPDZMSTZWAY-VHSXEESVSA-N -1 0 311.342 -0.068 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000390338162 604280207 /nfs/dbraw/zinc/28/02/07/604280207.db2.gz JDDHPMBTDLHVGF-UHFFFAOYSA-N -1 0 317.367 -0.001 20 0 DBADRM O=C([O-])N[C@@H]1CCN(Cn2nnn(-c3ccccc3)c2=O)C1 ZINC000740597335 604292069 /nfs/dbraw/zinc/29/20/69/604292069.db2.gz APQDPFFFMDGOGT-SNVBAGLBSA-N -1 0 304.310 -0.272 20 0 DBADRM CC(C)CN1C(=O)C(=O)N(CN2CC[C@@H](NC(=O)[O-])C2)C1=O ZINC000738821787 604293126 /nfs/dbraw/zinc/29/31/26/604293126.db2.gz UAZGGRBTXLEUAE-SECBINFHSA-N -1 0 312.326 -0.267 20 0 DBADRM COCCN(CC(=O)N1CCN([C@H]2CCOC2)CC1)C(=O)[O-] ZINC000828970793 604300709 /nfs/dbraw/zinc/30/07/09/604300709.db2.gz GODTXJUDSOKWLD-LBPRGKRZSA-N -1 0 315.370 -0.454 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000826025537 604303100 /nfs/dbraw/zinc/30/31/00/604303100.db2.gz ALQHHGDNRAPCMG-ZJUUUORDSA-N -1 0 319.383 -0.043 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000826025534 604303174 /nfs/dbraw/zinc/30/31/74/604303174.db2.gz ALQHHGDNRAPCMG-NXEZZACHSA-N -1 0 319.383 -0.043 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000830993002 604305022 /nfs/dbraw/zinc/30/50/22/604305022.db2.gz DJNLJGAGHCUHMY-MNOVXSKESA-N -1 0 312.326 -0.661 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCN3C(=O)OC[C@H]3C2)C1 ZINC000832068621 604309393 /nfs/dbraw/zinc/30/93/93/604309393.db2.gz CZAGFMUJOZPNLM-NXEZZACHSA-N -1 0 313.310 -0.582 20 0 DBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)[C@@H](C)NC(=O)[O-] ZINC000826690764 604311417 /nfs/dbraw/zinc/31/14/17/604311417.db2.gz MFAJXDQFZNCIGJ-UTLUCORTSA-N -1 0 321.399 -0.181 20 0 DBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)CNC(=O)[O-] ZINC000826692099 604323233 /nfs/dbraw/zinc/32/32/33/604323233.db2.gz ZXFOWHZEWRZAGP-BDAKNGLRSA-N -1 0 307.372 -0.570 20 0 DBADRM Cn1c(N2CC[C@@H](NC(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000740281906 604348701 /nfs/dbraw/zinc/34/87/01/604348701.db2.gz KWOGDMJMSPWTOT-ZCFIWIBFSA-N -1 0 308.298 -0.781 20 0 DBADRM COCc1nn(CN2CC[C@@H](CN(C)C(=O)[O-])C2)c(=O)o1 ZINC000829056076 604349049 /nfs/dbraw/zinc/34/90/49/604349049.db2.gz SNAWHEVMBBIMQT-VIFPVBQESA-N -1 0 300.315 -0.128 20 0 DBADRM COCc1nn(CN2CCC[C@H](CNC(=O)[O-])C2)c(=O)o1 ZINC000829054602 604349068 /nfs/dbraw/zinc/34/90/68/604349068.db2.gz FLXUWHRQZOPIMJ-SECBINFHSA-N -1 0 300.315 -0.080 20 0 DBADRM CCN(CCNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC000827145882 604350761 /nfs/dbraw/zinc/35/07/61/604350761.db2.gz GRKYMHZIJXCURT-IUCAKERBSA-N -1 0 302.331 -0.682 20 0 DBADRM CCc1oc(C(=O)[O-])cc1CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000830374803 604351944 /nfs/dbraw/zinc/35/19/44/604351944.db2.gz GUEQDDPRJOLFGB-JTQLQIEISA-N -1 0 321.333 -0.317 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000167243854 604352311 /nfs/dbraw/zinc/35/23/11/604352311.db2.gz YWTRDRYCZCCELX-PWSUYJOCSA-N -1 0 300.355 -0.609 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@H](CNC(=O)[O-])C2CC2)O1 ZINC000831174591 604352637 /nfs/dbraw/zinc/35/26/37/604352637.db2.gz WCLQUGRCCNPKDJ-AEJSXWLSSA-N -1 0 314.342 -0.635 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@H](CO)OC[C@H]1C)C(=O)[O-] ZINC000828709941 604353846 /nfs/dbraw/zinc/35/38/46/604353846.db2.gz UOWOZLRWIYVUMO-WGBDABJCSA-N -1 0 302.371 -0.317 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CCN1C(=O)[O-] ZINC000825996205 604354079 /nfs/dbraw/zinc/35/40/79/604354079.db2.gz KWHILNLNBQZUFR-KXUCPTDWSA-N -1 0 314.342 -0.587 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000828298164 604354909 /nfs/dbraw/zinc/35/49/09/604354909.db2.gz OOWKPBVRDDSDRC-DTWKUNHWSA-N -1 0 302.331 -0.682 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000760118857 604356326 /nfs/dbraw/zinc/35/63/26/604356326.db2.gz MGWAGCZKNAMAMZ-LURJTMIESA-N -1 0 309.731 -0.452 20 0 DBADRM COC[C@](C)(NS(=O)(=O)c1cnc(Cl)n1C)C(=O)[O-] ZINC000831632631 604357939 /nfs/dbraw/zinc/35/79/39/604357939.db2.gz ZAVAXBZZZSQRIQ-VIFPVBQESA-N -1 0 311.747 -0.159 20 0 DBADRM COC(=O)C1CCN(C(=O)CN2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000739756494 604371726 /nfs/dbraw/zinc/37/17/26/604371726.db2.gz QWCNXCHPTUWDKC-LLVKDONJSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H](C[C@H]1CCOC1)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824779533 604374410 /nfs/dbraw/zinc/37/44/10/604374410.db2.gz ZICVIPMYZQPZBL-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000823687291 604375276 /nfs/dbraw/zinc/37/52/76/604375276.db2.gz WFSNPNBGZUQUQK-IVZWLZJFSA-N -1 0 319.383 -0.980 20 0 DBADRM O=C([O-])N[C@@H]1CCN(CC(=O)NC(=O)NCc2ccco2)C1 ZINC000740593400 604377588 /nfs/dbraw/zinc/37/75/88/604377588.db2.gz HAGUMZYEZVFYCI-SECBINFHSA-N -1 0 310.310 -0.053 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)O1 ZINC000831172692 604378137 /nfs/dbraw/zinc/37/81/37/604378137.db2.gz JKLKQGXHCHDSJK-ZDCRXTMVSA-N -1 0 313.354 -0.038 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CC[C@@H](NC(=O)[O-])C1 ZINC000739365601 604378373 /nfs/dbraw/zinc/37/83/73/604378373.db2.gz HKEVUCGLIZFYGX-SNVBAGLBSA-N -1 0 300.359 -0.687 20 0 DBADRM CC(C)(CCC(=O)NC[C@H]1CC[C@H](C(N)=O)O1)NC(=O)[O-] ZINC000823890650 604378575 /nfs/dbraw/zinc/37/85/75/604378575.db2.gz XJCNEEKSIKDXSA-RKDXNWHRSA-N -1 0 301.343 -0.038 20 0 DBADRM CS(=O)(=O)CCCCOC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000829669971 604380039 /nfs/dbraw/zinc/38/00/39/604380039.db2.gz SJNGFMZHMAEWEX-SECBINFHSA-N -1 0 309.340 -0.267 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000830123432 604380046 /nfs/dbraw/zinc/38/00/46/604380046.db2.gz VXVQJDDUTRDEFB-LLVKDONJSA-N -1 0 324.289 -0.273 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C ZINC000736639474 604383366 /nfs/dbraw/zinc/38/33/66/604383366.db2.gz SLFSIOJXXMCWAR-WPRPVWTQSA-N -1 0 317.342 -0.585 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2CSCN2C(=O)[O-])O1 ZINC000831172991 604394157 /nfs/dbraw/zinc/39/41/57/604394157.db2.gz KQLGQIGKXBFUHZ-CSMHCCOUSA-N -1 0 303.340 -0.812 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000167100659 604394946 /nfs/dbraw/zinc/39/49/46/604394946.db2.gz GEEPNPZIUUPLCG-SFYZADRCSA-N -1 0 305.308 -0.252 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000828619230 604395562 /nfs/dbraw/zinc/39/55/62/604395562.db2.gz SZVNHLKENBGBGG-ZANVPECISA-N -1 0 300.311 -0.223 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C[C@H](O)CN1CCCC1=O ZINC000827015737 604404361 /nfs/dbraw/zinc/40/43/61/604404361.db2.gz HDUIGCBMODVYRL-RYUDHWBXSA-N -1 0 302.371 -0.220 20 0 DBADRM Cc1cc(OCC(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])no1 ZINC000830129295 604405333 /nfs/dbraw/zinc/40/53/33/604405333.db2.gz PHWFWKJLAIUNOG-SNVBAGLBSA-N -1 0 312.326 -0.228 20 0 DBADRM CCN1CCO[C@@H](C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])C1 ZINC000827229102 604406995 /nfs/dbraw/zinc/40/69/95/604406995.db2.gz UKJROKKJSRNDBQ-VXGBXAGGSA-N -1 0 314.386 -0.883 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000828617319 604407265 /nfs/dbraw/zinc/40/72/65/604407265.db2.gz BRNFUPFWIQRGHT-CYBMUJFWSA-N -1 0 300.311 -0.223 20 0 DBADRM CN1CCN(C(=O)CN2CCCCC2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828500119 604407572 /nfs/dbraw/zinc/40/75/72/604407572.db2.gz FTHPQKTZFLHUSZ-NSHDSACASA-N -1 0 312.370 -0.591 20 0 DBADRM CN1CCN(C(=O)c2ccc3n[nH]nc3c2)[C@H](CNC(=O)[O-])C1 ZINC000828513868 604409969 /nfs/dbraw/zinc/40/99/69/604409969.db2.gz RASQKDLKAGCZFE-SNVBAGLBSA-N -1 0 318.337 -0.018 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000828646817 604412259 /nfs/dbraw/zinc/41/22/59/604412259.db2.gz MMXWYYYUAYVXQH-NXEZZACHSA-N -1 0 301.343 -0.404 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)nc2)CCO1 ZINC000833213776 604414328 /nfs/dbraw/zinc/41/43/28/604414328.db2.gz AMLLYHDSNIAJBA-SECBINFHSA-N -1 0 311.269 -0.139 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)nc2)CCO1 ZINC000833213777 604414411 /nfs/dbraw/zinc/41/44/11/604414411.db2.gz AMLLYHDSNIAJBA-VIFPVBQESA-N -1 0 311.269 -0.139 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000824367091 604421348 /nfs/dbraw/zinc/42/13/48/604421348.db2.gz COBHFNWRBJUPSR-UHFFFAOYSA-N -1 0 312.370 -0.545 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@H]2OCCN(C)[C@@H]2C1)C(=O)[O-] ZINC000826788610 604423731 /nfs/dbraw/zinc/42/37/31/604423731.db2.gz ZDIIHZCHYVGHAB-YNEHKIRRSA-N -1 0 313.398 -0.383 20 0 DBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(CC3CC3)C2)CC1 ZINC000832042518 604424672 /nfs/dbraw/zinc/42/46/72/604424672.db2.gz PATLDDHHSFFNQB-UHFFFAOYSA-N -1 0 303.384 -0.294 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2cncc(C(=O)[O-])c2)c1=O ZINC000316355535 604425170 /nfs/dbraw/zinc/42/51/70/604425170.db2.gz FTBCYSVAOGCRSM-UHFFFAOYSA-N -1 0 304.262 -0.721 20 0 DBADRM C[C@@H](NC(=O)NCCSCC(=O)[O-])[C@H]1CN(C)CCO1 ZINC000827665678 604426284 /nfs/dbraw/zinc/42/62/84/604426284.db2.gz UVIWJEHBLKOWNV-NXEZZACHSA-N -1 0 305.400 -0.178 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CC1SC(=N)NC1=O ZINC000827002368 604434281 /nfs/dbraw/zinc/43/42/81/604434281.db2.gz XTALFCDUVLMBNN-JGVFFNPUSA-N -1 0 317.367 -0.121 20 0 DBADRM COC(=O)c1cn(CN2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)nn1 ZINC000828803634 604436506 /nfs/dbraw/zinc/43/65/06/604436506.db2.gz DAXDSQJAWTXLTE-SCZZXKLOSA-N -1 0 313.314 -0.621 20 0 DBADRM CCN1C(=O)CN(CN2CCO[C@H]([C@H](C)NC(=O)[O-])C2)C1=O ZINC000827200532 604438137 /nfs/dbraw/zinc/43/81/37/604438137.db2.gz UKWVUBUDXYNSBW-UWVGGRQHSA-N -1 0 314.342 -0.415 20 0 DBADRM CCCOC(=O)[C@@H](C)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000829522798 604438522 /nfs/dbraw/zinc/43/85/22/604438522.db2.gz KNEUXALXHRSGAM-SECBINFHSA-N -1 0 307.368 -0.050 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000827011283 604444488 /nfs/dbraw/zinc/44/44/88/604444488.db2.gz NOQITKFJVNUKNQ-SECBINFHSA-N -1 0 313.310 -0.564 20 0 DBADRM Cn1cc(N2CCC[C@H](NC(=O)C3(NC(=O)[O-])CC3)C2=O)cn1 ZINC000831004294 604472011 /nfs/dbraw/zinc/47/20/11/604472011.db2.gz GUGHTZRYSLZKCC-JTQLQIEISA-N -1 0 321.337 -0.168 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(Cc2ccncc2)CC1 ZINC000833404120 604476606 /nfs/dbraw/zinc/47/66/06/604476606.db2.gz GRJYSNDUYTYYJA-LBPRGKRZSA-N -1 0 306.366 -0.212 20 0 DBADRM CC(C)(CC(=O)[O-])NC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000833455990 604478294 /nfs/dbraw/zinc/47/82/94/604478294.db2.gz IURSPYHLLYHRDN-UHFFFAOYSA-N -1 0 305.294 -0.189 20 0 DBADRM O=C([O-])[C@@H](c1ccccc1F)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000833360381 604484673 /nfs/dbraw/zinc/48/46/73/604484673.db2.gz HCTPMUJTTGSADN-JOYOIKCWSA-N -1 0 321.308 -0.406 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000827045744 604487393 /nfs/dbraw/zinc/48/73/93/604487393.db2.gz KPDOAIZBWGJSLK-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM Cc1oc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1S(N)(=O)=O ZINC000830942521 604487459 /nfs/dbraw/zinc/48/74/59/604487459.db2.gz MNTRGLHEWFDALG-SSDOTTSWSA-N -1 0 317.323 -0.282 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000740590566 604491088 /nfs/dbraw/zinc/49/10/88/604491088.db2.gz XICDQOWOFFPNOT-BDAKNGLRSA-N -1 0 322.408 -0.225 20 0 DBADRM C[C@@H](OC(=O)CCC(=O)NC1CCCC1)C(=O)NCC(=O)[O-] ZINC000833526951 604491932 /nfs/dbraw/zinc/49/19/32/604491932.db2.gz BGAZIBWCFCKTGU-SECBINFHSA-N -1 0 314.338 -0.042 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)c2cn(C)cn2)CCO1 ZINC000825361459 604492670 /nfs/dbraw/zinc/49/26/70/604492670.db2.gz SJMSQFLBAUFFRC-RKDXNWHRSA-N -1 0 318.355 -0.534 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)CCO1 ZINC000825359092 604492721 /nfs/dbraw/zinc/49/27/21/604492721.db2.gz JJJPCCMBPCKSAJ-AXFHLTTASA-N -1 0 322.383 -0.290 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829833474 604494497 /nfs/dbraw/zinc/49/44/97/604494497.db2.gz KUKRNYMUTGCGKV-APPZFPTMSA-N -1 0 318.355 -0.236 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@]2(O)CCOC2)ccc1F ZINC000227115335 604511015 /nfs/dbraw/zinc/51/10/15/604511015.db2.gz LXTMFAZCIFRWLO-LBPRGKRZSA-N -1 0 319.310 -0.046 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)C(=O)NC1CN(C(=O)[O-])C1 ZINC000833497078 604511688 /nfs/dbraw/zinc/51/16/88/604511688.db2.gz YASAMJMJHHWGRV-UHFFFAOYSA-N -1 0 307.372 -0.187 20 0 DBADRM C[C@]1([C@H]2CCCN(C(=O)C3(NC(=O)[O-])CC3)C2)NC(=O)NC1=O ZINC000825740213 604523495 /nfs/dbraw/zinc/52/34/95/604523495.db2.gz SZXYQVRPNCZGHG-ISVAXAHUSA-N -1 0 324.337 -0.377 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)cc1 ZINC000833776646 604523657 /nfs/dbraw/zinc/52/36/57/604523657.db2.gz ZSZYDCGPEIJIAQ-HNNXBMFYSA-N -1 0 322.317 -0.480 20 0 DBADRM C[C@@]1([C@@H]2CCCN(C(=O)C3(NC(=O)[O-])CC3)C2)NC(=O)NC1=O ZINC000825740214 604523717 /nfs/dbraw/zinc/52/37/17/604523717.db2.gz SZXYQVRPNCZGHG-OQPBUACISA-N -1 0 324.337 -0.377 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)cc1 ZINC000833776647 604524110 /nfs/dbraw/zinc/52/41/10/604524110.db2.gz ZSZYDCGPEIJIAQ-OAHLLOKOSA-N -1 0 322.317 -0.480 20 0 DBADRM CC(C)NC(=O)CNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000824367610 604528929 /nfs/dbraw/zinc/52/89/29/604528929.db2.gz GHIDBKWGHZJGJQ-ZJUUUORDSA-N -1 0 316.358 -0.423 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCC(=O)N(C)C)CCO1 ZINC000825309753 604530159 /nfs/dbraw/zinc/53/01/59/604530159.db2.gz LNZUAJRWYVEMSM-IUCAKERBSA-N -1 0 302.331 -0.859 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCc2ccnn2C)CCO1 ZINC000825317740 604533719 /nfs/dbraw/zinc/53/37/19/604533719.db2.gz JQZXBNVWTLDEAW-GXSJLCMTSA-N -1 0 311.342 -0.013 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)N[C@@H](C)C(=O)N(C)C)CCO1 ZINC000825149251 604538662 /nfs/dbraw/zinc/53/86/62/604538662.db2.gz FINLJHTZLXMRGS-UTLUCORTSA-N -1 0 316.358 -0.470 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NC[C@@H]2COCCO2)CCO1 ZINC000825312412 604539367 /nfs/dbraw/zinc/53/93/67/604539367.db2.gz WLHACYJSYJCEAI-HBNTYKKESA-N -1 0 317.342 -0.532 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCCS(=O)(=O)CC2CC2)CCO1 ZINC000819310549 604539762 /nfs/dbraw/zinc/53/97/62/604539762.db2.gz BJYIYMUPZVYTQO-SNVBAGLBSA-N -1 0 320.367 -0.694 20 0 DBADRM COCCOCCNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829001540 604541716 /nfs/dbraw/zinc/54/17/16/604541716.db2.gz AUUFDQFRVQCFPZ-MNOVXSKESA-N -1 0 319.358 -0.284 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCS(C)(=O)=O)CCO1 ZINC000825318974 604542977 /nfs/dbraw/zinc/54/29/77/604542977.db2.gz QYHQOENNRPRNLB-BDAKNGLRSA-N -1 0 323.371 -0.903 20 0 DBADRM C[C@H](CCNC(=O)N1C[C@@H]2OCCN(C)[C@H]2C1)NC(=O)[O-] ZINC000824785651 604548093 /nfs/dbraw/zinc/54/80/93/604548093.db2.gz GWWILYWWCPPUBG-VWYCJHECSA-N -1 0 300.359 -0.243 20 0 DBADRM CCN(CCNC(=O)N1C[C@H]2OCCN(C)[C@@H]2C1)C(=O)[O-] ZINC000827142178 604548371 /nfs/dbraw/zinc/54/83/71/604548371.db2.gz XXLMNIAQDWIDPM-GHMZBOCLSA-N -1 0 300.359 -0.289 20 0 DBADRM CCN(CCNC(=O)N1C[C@H]2OCCN(C)[C@H]2C1)C(=O)[O-] ZINC000827142181 604548403 /nfs/dbraw/zinc/54/84/03/604548403.db2.gz XXLMNIAQDWIDPM-WDEREUQCSA-N -1 0 300.359 -0.289 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000829670239 604551890 /nfs/dbraw/zinc/55/18/90/604551890.db2.gz YECRTYVHGFNLCT-SECBINFHSA-N -1 0 319.383 -0.043 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)Nc2cccnn2)CC1 ZINC000831615899 604554847 /nfs/dbraw/zinc/55/48/47/604554847.db2.gz ISDGFUMXWFVBTL-UHFFFAOYSA-N -1 0 308.298 -0.580 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCc2nccn2C)CCO1 ZINC000825317234 604554871 /nfs/dbraw/zinc/55/48/71/604554871.db2.gz CVEJZWUQPYXMGH-UWVGGRQHSA-N -1 0 311.342 -0.013 20 0 DBADRM C[C@@H](NC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1)C(=O)N(C)C ZINC000825317358 604559509 /nfs/dbraw/zinc/55/95/09/604559509.db2.gz FINLJHTZLXMRGS-BBBLOLIVSA-N -1 0 316.358 -0.470 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCC(=O)N(C)C)CCO1 ZINC000825309198 604559794 /nfs/dbraw/zinc/55/97/94/604559794.db2.gz INVQASJBBKJIHF-VHSXEESVSA-N -1 0 316.358 -0.469 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000262266900 604560788 /nfs/dbraw/zinc/56/07/88/604560788.db2.gz ZPEQLTRGZZBCNX-GFCCVEGCSA-N -1 0 322.383 -0.735 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000833208260 604565451 /nfs/dbraw/zinc/56/54/51/604565451.db2.gz XTUZULRTUNTKBW-SNVBAGLBSA-N -1 0 304.368 -0.818 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000825875654 604573990 /nfs/dbraw/zinc/57/39/90/604573990.db2.gz IENIWACZBMPLMT-LLVKDONJSA-N -1 0 313.354 -0.515 20 0 DBADRM O=C([O-])N1CC(NC(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000831676462 604583178 /nfs/dbraw/zinc/58/31/78/604583178.db2.gz PCSGKRIGRVQODF-UHFFFAOYSA-N -1 0 320.371 -0.927 20 0 DBADRM COCCN(CC(=O)N1C[C@H]2OCCN(C)[C@H]2C1)C(=O)[O-] ZINC000828970620 604583590 /nfs/dbraw/zinc/58/35/90/604583590.db2.gz BVIMWKGVDPGJQF-WDEREUQCSA-N -1 0 301.343 -0.846 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000833390596 604585916 /nfs/dbraw/zinc/58/59/16/604585916.db2.gz AIGSFONYMZYDHF-PSASIEDQSA-N -1 0 300.311 -0.480 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC000827242230 604585929 /nfs/dbraw/zinc/58/59/29/604585929.db2.gz MMLUZBXFXKCZID-IUCAKERBSA-N -1 0 316.383 -0.041 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000833394258 604586038 /nfs/dbraw/zinc/58/60/38/604586038.db2.gz OYRRBVMHPMFIRQ-GFCCVEGCSA-N -1 0 324.337 -0.151 20 0 DBADRM CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000827243202 604587055 /nfs/dbraw/zinc/58/70/55/604587055.db2.gz WOGMOGYIVFXQNH-AEJSXWLSSA-N -1 0 314.342 -0.980 20 0 DBADRM C[C@H](CNC(=O)NC1CN(C(=O)[O-])C1)CN1CCOCC1 ZINC000824939500 604589476 /nfs/dbraw/zinc/58/94/76/604589476.db2.gz MAKHILLEENRYRE-SNVBAGLBSA-N -1 0 300.359 -0.384 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000740586376 604591360 /nfs/dbraw/zinc/59/13/60/604591360.db2.gz FBLVGEARFKOZDW-LLVKDONJSA-N -1 0 321.337 -0.137 20 0 DBADRM CC[C@H](O)CCNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000826626903 604593768 /nfs/dbraw/zinc/59/37/68/604593768.db2.gz YKQDYUGYLQFAAG-JTQLQIEISA-N -1 0 316.358 -0.731 20 0 DBADRM C[C@@H](O)CNC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000833739138 604596841 /nfs/dbraw/zinc/59/68/41/604596841.db2.gz LADYXSXPFJUNJW-SECBINFHSA-N -1 0 310.306 -0.024 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@H](NC(=O)[O-])C1)CC2 ZINC000740230122 604598312 /nfs/dbraw/zinc/59/83/12/604598312.db2.gz BVNJMMZPUOXUMD-VHSXEESVSA-N -1 0 308.342 -0.047 20 0 DBADRM COC(=O)c1cncc(NC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000833717109 604598588 /nfs/dbraw/zinc/59/85/88/604598588.db2.gz GZSKXENHCHQZQD-UHFFFAOYSA-N -1 0 305.250 -0.203 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)NCCCN2CCOC2=O)C1 ZINC000740590198 604598978 /nfs/dbraw/zinc/59/89/78/604598978.db2.gz WETCHBBDXKGBJJ-SECBINFHSA-N -1 0 300.315 -0.120 20 0 DBADRM CCN(C(=O)NC1CN(C(=O)[O-])C1)[C@@H](C)CS(C)(=O)=O ZINC000826979358 604603412 /nfs/dbraw/zinc/60/34/12/604603412.db2.gz GBWASRYAJUYKOF-QMMMGPOBSA-N -1 0 307.372 -0.187 20 0 DBADRM CCN(C(=O)NC1CN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000826979998 604605430 /nfs/dbraw/zinc/60/54/30/604605430.db2.gz QCACFSVAJPDGOZ-SECBINFHSA-N -1 0 305.356 -0.433 20 0 DBADRM CCOC(=O)N1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000827326937 604611611 /nfs/dbraw/zinc/61/16/11/604611611.db2.gz HLGFMSRWALWPKZ-UHFFFAOYSA-N -1 0 300.315 -0.168 20 0 DBADRM CCNC(=O)NC(=O)[C@H](C)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827250168 604612261 /nfs/dbraw/zinc/61/22/61/604612261.db2.gz QRXQJGGVLRSHLY-LPEHRKFASA-N -1 0 316.358 -0.423 20 0 DBADRM COC(=O)CNC(=O)CCN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828683694 604612586 /nfs/dbraw/zinc/61/25/86/604612586.db2.gz MEDBXRBWSYNZRN-VHSXEESVSA-N -1 0 317.342 -0.977 20 0 DBADRM COC(=O)CNC(=O)CCN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828683692 604612595 /nfs/dbraw/zinc/61/25/95/604612595.db2.gz MEDBXRBWSYNZRN-NXEZZACHSA-N -1 0 317.342 -0.977 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CC(=O)NC2CCOCC2)CCO1 ZINC000825345189 604615851 /nfs/dbraw/zinc/61/58/51/604615851.db2.gz RYQCPQIWFONIDT-PWSUYJOCSA-N -1 0 315.370 -0.362 20 0 DBADRM O=C([O-])N1CC(NC(=O)N2CCC(OCCCO)CC2)C1 ZINC000831846342 604620476 /nfs/dbraw/zinc/62/04/76/604620476.db2.gz AKMJRAADTLQUBD-UHFFFAOYSA-N -1 0 301.343 -0.078 20 0 DBADRM COC(=O)CCNC(=O)CN1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000828675850 604622594 /nfs/dbraw/zinc/62/25/94/604622594.db2.gz RGYYYSFFNOENBS-UWVGGRQHSA-N -1 0 317.342 -0.977 20 0 DBADRM CNS(=O)(=O)CCCN1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828580386 604628904 /nfs/dbraw/zinc/62/89/04/604628904.db2.gz ZGNXVLIKLMJOMH-ZJUUUORDSA-N -1 0 309.388 -0.717 20 0 DBADRM CNS(=O)(=O)CCCN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828580385 604629215 /nfs/dbraw/zinc/62/92/15/604629215.db2.gz ZGNXVLIKLMJOMH-VHSXEESVSA-N -1 0 309.388 -0.717 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CCC(=O)N2CCOCC2)CCO1 ZINC000825349628 604631709 /nfs/dbraw/zinc/63/17/09/604631709.db2.gz DIJVZOAUSZKXPH-RYUDHWBXSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CC(=O)NC[C@@H]2CCCO2)CCO1 ZINC000825343949 604636201 /nfs/dbraw/zinc/63/62/01/604636201.db2.gz LQRZPNXBXUEBCF-SDDRHHMPSA-N -1 0 315.370 -0.362 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C[C@@H](O)CN2CCCC2=O)CCO1 ZINC000825350761 604636545 /nfs/dbraw/zinc/63/65/45/604636545.db2.gz KWQLSZYCBOEPOT-TUAOUCFPSA-N -1 0 315.370 -0.673 20 0 DBADRM CC(C)C(=O)NCCNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824043091 604651555 /nfs/dbraw/zinc/65/15/55/604651555.db2.gz GCUZJQLZKQFQDC-SNVBAGLBSA-N -1 0 301.343 -0.356 20 0 DBADRM CN(C)C(=O)C1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827952773 604652365 /nfs/dbraw/zinc/65/23/65/604652365.db2.gz APICGQLKNPKMCO-LLVKDONJSA-N -1 0 313.354 -0.308 20 0 DBADRM C[C@@H](OC(=O)c1cccc2c1oc(=O)n2C)C(=O)NCC(=O)[O-] ZINC000833535035 604657647 /nfs/dbraw/zinc/65/76/47/604657647.db2.gz KYTLWAWDJNFZSR-SSDOTTSWSA-N -1 0 322.273 -0.122 20 0 DBADRM CCN(CC)C(=O)CN(C)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827026299 604658238 /nfs/dbraw/zinc/65/82/38/604658238.db2.gz ZQOUXYUIQQMCKD-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)N[C@H]1CCS(=O)(=O)C1 ZINC000831383110 604658691 /nfs/dbraw/zinc/65/86/91/604658691.db2.gz TZRZOTMYJUKGEK-DTWKUNHWSA-N -1 0 306.340 -0.941 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])n1 ZINC000831807758 604659827 /nfs/dbraw/zinc/65/98/27/604659827.db2.gz VROVFSTXZIFRIA-SNVBAGLBSA-N -1 0 324.337 -0.066 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)Oc2ccc(-n3cnnn3)cc2)C1 ZINC000833786682 604662524 /nfs/dbraw/zinc/66/25/24/604662524.db2.gz PEXVNLHZEZZUAN-LLVKDONJSA-N -1 0 319.277 -0.054 20 0 DBADRM CCNC(=O)N1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827251335 604663998 /nfs/dbraw/zinc/66/39/98/604663998.db2.gz YJHABOBZRQVAHN-SNVBAGLBSA-N -1 0 314.342 -0.761 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCN2CCCC2=O)CCO1 ZINC000825299712 604665513 /nfs/dbraw/zinc/66/55/13/604665513.db2.gz BAKCYRUHELROCV-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM CN(CC(=O)N1CCC[C@@H]1CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000830665672 604667503 /nfs/dbraw/zinc/66/75/03/604667503.db2.gz LDSLAHNMJVIBLO-GHMZBOCLSA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCO1 ZINC000825334005 604671970 /nfs/dbraw/zinc/67/19/70/604671970.db2.gz DPVPVYSZWBUHOB-GXSJLCMTSA-N -1 0 309.322 -0.118 20 0 DBADRM NC(=O)COc1cccc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831194814 604672057 /nfs/dbraw/zinc/67/20/57/604672057.db2.gz SFBTXVZOKALOHQ-LLVKDONJSA-N -1 0 323.305 -0.132 20 0 DBADRM C[C@@]1(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCS(=O)(=O)C1 ZINC000825755419 604672752 /nfs/dbraw/zinc/67/27/52/604672752.db2.gz MVUOVTYJSBFOSL-BXKDBHETSA-N -1 0 320.367 -0.551 20 0 DBADRM C[C@]1(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCS(=O)(=O)C1 ZINC000825755762 604672780 /nfs/dbraw/zinc/67/27/80/604672780.db2.gz WACPSMSCEOPSHK-KWQFWETISA-N -1 0 306.340 -0.941 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)CCO1 ZINC000825294885 604672912 /nfs/dbraw/zinc/67/29/12/604672912.db2.gz PNWNWYCSSNCZOR-AXFHLTTASA-N -1 0 313.354 -0.262 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCO1 ZINC000825328985 604679623 /nfs/dbraw/zinc/67/96/23/604679623.db2.gz XYWXSQDYECOKIB-XCBNKYQSSA-N -1 0 310.310 -0.389 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)C2=NN(C)C(=O)CC2)CCO1 ZINC000825295138 604682889 /nfs/dbraw/zinc/68/28/89/604682889.db2.gz SATOLGFPKMHNEL-SCZZXKLOSA-N -1 0 312.326 -0.522 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)CCO1 ZINC000825327552 604688747 /nfs/dbraw/zinc/68/87/47/604688747.db2.gz RDUFBDLRJINLEF-KCJUWKMLSA-N -1 0 324.337 -0.379 20 0 DBADRM C[C@H](OC(=O)C1=NN(C)C(=O)CC1)c1cn(CC(=O)[O-])nn1 ZINC000827817146 604699765 /nfs/dbraw/zinc/69/97/65/604699765.db2.gz INQJQBVKUGWVGZ-ZETCQYMHSA-N -1 0 309.282 -0.425 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1)N1CCOCC1 ZINC000824915868 604700306 /nfs/dbraw/zinc/70/03/06/604700306.db2.gz PWAUDUYUTKUDCG-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@@H](CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1)N1CCOCC1 ZINC000824922556 604700638 /nfs/dbraw/zinc/70/06/38/604700638.db2.gz QKPPXSXPMADFKW-RYUDHWBXSA-N -1 0 315.370 -0.408 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CCN2CCOC2=O)CCO1 ZINC000825302348 604705234 /nfs/dbraw/zinc/70/52/34/604705234.db2.gz POAZGWDKFVLLFC-NXEZZACHSA-N -1 0 315.326 -0.288 20 0 DBADRM CC(C)[C@@H](C(=O)NC[C@H](C)C(=O)[O-])N1CCCS1(=O)=O ZINC000262080765 604707494 /nfs/dbraw/zinc/70/74/94/604707494.db2.gz KEPSGGOHLIXNEM-UWVGGRQHSA-N -1 0 306.384 -0.117 20 0 DBADRM CCOCCOCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827406225 604709749 /nfs/dbraw/zinc/70/97/49/604709749.db2.gz YWOHJOLZXDHOJN-MNOVXSKESA-N -1 0 304.343 -0.077 20 0 DBADRM CN([C@H]1CCNC1=O)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000833692480 604714257 /nfs/dbraw/zinc/71/42/57/604714257.db2.gz XGDXLMZGJAGYPA-ZETCQYMHSA-N -1 0 304.349 -0.045 20 0 DBADRM CN([C@@H]1CCNC1=O)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000833692573 604714462 /nfs/dbraw/zinc/71/44/62/604714462.db2.gz ZGIWKFNYKRXVEA-SSDOTTSWSA-N -1 0 304.349 -0.045 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CSCC(N)=O)CCO1 ZINC000825301028 604722514 /nfs/dbraw/zinc/72/25/14/604722514.db2.gz HIUAFXFQTSCHOH-HTQZYQBOSA-N -1 0 305.356 -0.912 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CSc1nncn1C ZINC000829954776 604724376 /nfs/dbraw/zinc/72/43/76/604724376.db2.gz KMXJOZKIWLZFOV-MRVPVSSYSA-N -1 0 302.356 -0.145 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@H](O)C2CCOCC2)CCO1 ZINC000825294110 604725949 /nfs/dbraw/zinc/72/59/49/604725949.db2.gz JXTLKJJPZDJHAZ-ZMLRMANQSA-N -1 0 316.354 -0.343 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO1 ZINC000825015349 604726056 /nfs/dbraw/zinc/72/60/56/604726056.db2.gz DZPFXOGXSVKVQR-BBBLOLIVSA-N -1 0 322.383 -0.449 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC(O)(C(=O)[O-])CC1 ZINC000833403817 604727994 /nfs/dbraw/zinc/72/79/94/604727994.db2.gz CRUKBSIPQLNPDP-GHMZBOCLSA-N -1 0 300.355 -0.418 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCCc1nnc2n1CCC2 ZINC000831387423 604729596 /nfs/dbraw/zinc/72/95/96/604729596.db2.gz JLCBVJQQIBXZBN-JTQLQIEISA-N -1 0 323.353 -0.348 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)Cn2ccccc2=O)CCO1 ZINC000825310936 604729644 /nfs/dbraw/zinc/72/96/44/604729644.db2.gz QYGHMWAOUQNHSM-QWRGUYRKSA-N -1 0 309.322 -0.268 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCCc1nnc2n1CCC2 ZINC000831387424 604729840 /nfs/dbraw/zinc/72/98/40/604729840.db2.gz JLCBVJQQIBXZBN-SNVBAGLBSA-N -1 0 323.353 -0.348 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCCc2nnc3n2CCC3)C1 ZINC000831704108 604730566 /nfs/dbraw/zinc/73/05/66/604730566.db2.gz IKNAAPKZIQHFBW-VIFPVBQESA-N -1 0 309.326 -0.738 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)Cn1cnc2c1ncnc2N ZINC000829961307 604730834 /nfs/dbraw/zinc/73/08/34/604730834.db2.gz QILNTBREQIZHSB-QMMMGPOBSA-N -1 0 322.325 -0.643 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)Cn1cc([C@@H](C)O)nn1 ZINC000829960599 604730839 /nfs/dbraw/zinc/73/08/39/604730839.db2.gz JTUVDDOQDUEGSU-SCZZXKLOSA-N -1 0 300.315 -0.721 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000829941254 604733694 /nfs/dbraw/zinc/73/36/94/604733694.db2.gz YVJSBQMXCOFSRM-NXEZZACHSA-N -1 0 301.343 -0.275 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN2CSCC2=O)CCO1 ZINC000825302567 604734611 /nfs/dbraw/zinc/73/46/11/604734611.db2.gz RFERBAICZXDDGD-IUCAKERBSA-N -1 0 317.367 -0.597 20 0 DBADRM CCc1[nH]c(C(=O)N2CCOC[C@H]2C(N)=O)c(C)c1C(=O)[O-] ZINC000833666645 604743373 /nfs/dbraw/zinc/74/33/73/604743373.db2.gz BZORXPNRRSRSQX-VIFPVBQESA-N -1 0 309.322 -0.090 20 0 DBADRM NC(=O)COCCNC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000833082334 604744565 /nfs/dbraw/zinc/74/45/65/604744565.db2.gz ZVXLGITYNRQVOB-UHFFFAOYSA-N -1 0 319.317 -0.042 20 0 DBADRM CCc1nnc(SCC(=O)N2CCC(C(=O)[O-])CC2)n1N ZINC000830335574 604749133 /nfs/dbraw/zinc/74/91/33/604749133.db2.gz QQRODYGSSUGLOE-UHFFFAOYSA-N -1 0 313.383 -0.030 20 0 DBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)C1(NC(=O)[O-])CC1 ZINC000831171441 604751890 /nfs/dbraw/zinc/75/18/90/604751890.db2.gz DCHQVXXQWIUUJU-MRVPVSSYSA-N -1 0 313.310 -0.804 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)COC(=O)C1(NC(=O)[O-])CC1 ZINC000828409821 604753377 /nfs/dbraw/zinc/75/33/77/604753377.db2.gz AHSRTHOVWXOPHH-UHFFFAOYSA-N -1 0 310.310 -0.278 20 0 DBADRM O=C([O-])Nc1ccc(CNC(=O)CN(CCO)CCO)cc1 ZINC000833286045 604754966 /nfs/dbraw/zinc/75/49/66/604754966.db2.gz NFTLJYYBVXRVJF-UHFFFAOYSA-N -1 0 311.338 -0.321 20 0 DBADRM CC(=O)N[C@@H](CC(=O)OCC(=O)NCC(=O)[O-])c1ccccc1 ZINC000833396035 604757357 /nfs/dbraw/zinc/75/73/57/604757357.db2.gz NHZHBBRLQKTNTB-LBPRGKRZSA-N -1 0 322.317 -0.002 20 0 DBADRM O=C(Cn1nc(-c2ccccc2)oc1=O)NC1CN(C(=O)[O-])C1 ZINC000740387306 604757968 /nfs/dbraw/zinc/75/79/68/604757968.db2.gz DYKFLAYWNWXJLK-UHFFFAOYSA-N -1 0 318.289 -0.018 20 0 DBADRM O=C(CSCC(=O)N1CCOCC1)NC1CN(C(=O)[O-])C1 ZINC000740381907 604759969 /nfs/dbraw/zinc/75/99/69/604759969.db2.gz YRUZXBXPZTZKKX-UHFFFAOYSA-N -1 0 317.367 -0.943 20 0 DBADRM C[C@H](CC(=O)N1CCN(CCC(=O)N(C)C)CC1)NC(=O)[O-] ZINC000824589350 604764411 /nfs/dbraw/zinc/76/44/11/604764411.db2.gz BUKWZHSGZQOIDU-LLVKDONJSA-N -1 0 314.386 -0.345 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000739986371 604768786 /nfs/dbraw/zinc/76/87/86/604768786.db2.gz RSHNCLYTGDNRMX-UHFFFAOYSA-N -1 0 305.356 -0.864 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)N(CC(=O)[O-])C1CCOCC1 ZINC000829799049 604770077 /nfs/dbraw/zinc/77/00/77/604770077.db2.gz AAWOYZGMEAIGEL-SECBINFHSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@H](O)c2cccnc2)CCO1 ZINC000825295584 604772368 /nfs/dbraw/zinc/77/23/68/604772368.db2.gz VMGLNBPCUDCOAA-ZMLRMANQSA-N -1 0 309.322 -0.002 20 0 DBADRM C[C@H](CS(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C)C(=O)[O-] ZINC000827525237 604775680 /nfs/dbraw/zinc/77/56/80/604775680.db2.gz RDMQCLHNGRFAJQ-MRVPVSSYSA-N -1 0 322.383 -0.847 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000386702493 604776608 /nfs/dbraw/zinc/77/66/08/604776608.db2.gz VEUXKUDPDHPGSK-UHFFFAOYSA-N -1 0 311.250 -0.253 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC000833391534 604782726 /nfs/dbraw/zinc/78/27/26/604782726.db2.gz SBBZOEJLMXVVEK-UHFFFAOYSA-N -1 0 321.337 -0.931 20 0 DBADRM CCNC(=O)CNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827243319 604783108 /nfs/dbraw/zinc/78/31/08/604783108.db2.gz XTJKVFDCIVQJBG-BDAKNGLRSA-N -1 0 302.331 -0.811 20 0 DBADRM CC(=O)NC1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823574080 604790419 /nfs/dbraw/zinc/79/04/19/604790419.db2.gz CBDGTUAFPVMGPH-LBPRGKRZSA-N -1 0 313.354 -0.118 20 0 DBADRM C[C@@](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)(C(N)=O)c1ccccc1 ZINC000825094285 604792703 /nfs/dbraw/zinc/79/27/03/604792703.db2.gz RFWRSKVVIAKSDD-ABAIWWIYSA-N -1 0 321.333 -0.118 20 0 DBADRM CN(C)C(=O)CCN1CCN(C(=O)NCCNC(=O)[O-])CC1 ZINC000827953714 604801410 /nfs/dbraw/zinc/80/14/10/604801410.db2.gz KWUKXOHIYRIFGZ-UHFFFAOYSA-N -1 0 315.374 -0.941 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCC(=O)Nc2ccncc2)C1 ZINC000831432187 604801824 /nfs/dbraw/zinc/80/18/24/604801824.db2.gz IIJPDGYQSNYHSY-LLVKDONJSA-N -1 0 322.321 -0.673 20 0 DBADRM CCc1nnc2n1C[C@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000827655956 604803206 /nfs/dbraw/zinc/80/32/06/604803206.db2.gz MSWIJVMLVZHJPK-NXEZZACHSA-N -1 0 323.353 -0.350 20 0 DBADRM C[C@@H](C(=O)NCCN(C)C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC000823693220 604813198 /nfs/dbraw/zinc/81/31/98/604813198.db2.gz KKSKWJQDGPWRBQ-VIFPVBQESA-N -1 0 322.383 -0.305 20 0 DBADRM CN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCCCNC1=O ZINC000827750826 604814028 /nfs/dbraw/zinc/81/40/28/604814028.db2.gz BERDMWVEUMUBFX-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCCCNC1=O ZINC000827750829 604814144 /nfs/dbraw/zinc/81/41/44/604814144.db2.gz BERDMWVEUMUBFX-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2cnc3c(c2)NC(=O)CO3)CCOC1 ZINC000833786152 604816120 /nfs/dbraw/zinc/81/61/20/604816120.db2.gz RJJACYFSTFACLL-ZDUSSCGKSA-N -1 0 307.262 -0.614 20 0 DBADRM CN(CCN1CCOCC1)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828315738 604816318 /nfs/dbraw/zinc/81/63/18/604816318.db2.gz CLAXKCIHBPBSCR-LLVKDONJSA-N -1 0 301.343 -0.844 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)OCCc2cn(CC(=O)[O-])nn2)C1 ZINC000828557218 604818282 /nfs/dbraw/zinc/81/82/82/604818282.db2.gz IXUKNFYWLNOHDJ-JTQLQIEISA-N -1 0 324.337 -0.293 20 0 DBADRM CC(C)[C@@H]1C(=O)NCCN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000824156347 604825449 /nfs/dbraw/zinc/82/54/49/604825449.db2.gz FCRAQYPRUJGWJZ-CMPLNLGQSA-N -1 0 313.354 -0.262 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000828642695 604829996 /nfs/dbraw/zinc/82/99/96/604829996.db2.gz XDJNRQHFFGEZFJ-ZJUUUORDSA-N -1 0 316.310 -0.844 20 0 DBADRM Cn1cc(C(=O)C(=O)OCCc2cn(CC(=O)[O-])nn2)cn1 ZINC000833041460 604837336 /nfs/dbraw/zinc/83/73/36/604837336.db2.gz LTMTVCBOHIABKH-UHFFFAOYSA-N -1 0 307.266 -0.935 20 0 DBADRM Cc1[nH]nc(C(=O)OCC(=O)NCC(=O)[O-])c1Br ZINC000832990161 604838163 /nfs/dbraw/zinc/83/81/63/604838163.db2.gz OHXMNHBADHNXLO-UHFFFAOYSA-N -1 0 320.099 -0.162 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)OCCc2cn(CC(=O)[O-])nn2)c1 ZINC000833084875 604838849 /nfs/dbraw/zinc/83/88/49/604838849.db2.gz SNNBYKSMKGUWOV-UHFFFAOYSA-N -1 0 307.266 -0.811 20 0 DBADRM Cc1ncc(C(=O)OCCc2cn(CC(=O)[O-])nn2)c(N)n1 ZINC000833008208 604841210 /nfs/dbraw/zinc/84/12/10/604841210.db2.gz OIPKBRIRCWQGKS-UHFFFAOYSA-N -1 0 306.282 -0.557 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)O[C@H](C)C(=O)NCC(=O)[O-])C1 ZINC000828557486 604842219 /nfs/dbraw/zinc/84/22/19/604842219.db2.gz KSCLZVUXZSQYSM-BDAKNGLRSA-N -1 0 300.311 -0.623 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC000828558096 604850111 /nfs/dbraw/zinc/85/01/11/604850111.db2.gz QKOZZYWYBYCNJL-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827472669 604859016 /nfs/dbraw/zinc/85/90/16/604859016.db2.gz WIFFPZBXDMSQRS-VHSXEESVSA-N -1 0 322.383 -0.305 20 0 DBADRM COC(=O)c1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1F ZINC000831373673 604861328 /nfs/dbraw/zinc/86/13/28/604861328.db2.gz LHBUEWDKBFIEEU-UHFFFAOYSA-N -1 0 313.237 -0.030 20 0 DBADRM COC(=O)CNC(=O)COC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000831180326 604861483 /nfs/dbraw/zinc/86/14/83/604861483.db2.gz SCEXDHVOBSYIMD-UHFFFAOYSA-N -1 0 313.237 -0.030 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCOC[C@@H]2CCCO2)C1 ZINC000831692783 604862377 /nfs/dbraw/zinc/86/23/77/604862377.db2.gz BDYAZOGDDPRARU-WDEREUQCSA-N -1 0 302.327 -0.323 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831174141 604868231 /nfs/dbraw/zinc/86/82/31/604868231.db2.gz QXNVNHXYQUVRKW-GMTAPVOTSA-N -1 0 313.354 -0.084 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000824809783 604873267 /nfs/dbraw/zinc/87/32/67/604873267.db2.gz KIOQJHLRCVERKA-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM CC(=O)NCCNC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000823580461 604874705 /nfs/dbraw/zinc/87/47/05/604874705.db2.gz SPMGIWMPKJQBTK-SCZZXKLOSA-N -1 0 316.358 -0.075 20 0 DBADRM COCCOC[C@H]1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000829002041 604876513 /nfs/dbraw/zinc/87/65/13/604876513.db2.gz KNSWYZFJHJYHAO-RYUDHWBXSA-N -1 0 316.354 -0.123 20 0 DBADRM CCc1nncn1CCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000827655822 604877094 /nfs/dbraw/zinc/87/70/94/604877094.db2.gz LNXXDBCHTZQSBH-JTQLQIEISA-N -1 0 311.342 -0.274 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CCc1cn(CC(=O)[O-])nn1 ZINC000833407264 604877876 /nfs/dbraw/zinc/87/78/76/604877876.db2.gz JNEIUSMNYBSKAH-NXEZZACHSA-N -1 0 318.399 -0.341 20 0 DBADRM CNC(=O)[C@@H]1CCCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828530738 604885536 /nfs/dbraw/zinc/88/55/36/604885536.db2.gz AGKVZQQXBSHLOY-MNOVXSKESA-N -1 0 313.354 -0.260 20 0 DBADRM CNC(=O)[C@H]1CCCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828530740 604885648 /nfs/dbraw/zinc/88/56/48/604885648.db2.gz AGKVZQQXBSHLOY-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)N[C@H]1CCCn2ncnc21 ZINC000831375783 604891325 /nfs/dbraw/zinc/89/13/25/604891325.db2.gz PATYHNUXXULTHD-UWVGGRQHSA-N -1 0 309.326 -0.002 20 0 DBADRM Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000830799309 604891415 /nfs/dbraw/zinc/89/14/15/604891415.db2.gz MQGWPABDEYEZNK-NXEZZACHSA-N -1 0 309.326 -0.084 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000832048960 604891572 /nfs/dbraw/zinc/89/15/72/604891572.db2.gz BKMFSCIVSKBGNV-VXGBXAGGSA-N -1 0 324.337 -0.511 20 0 DBADRM C[C@]1(NC(=O)c2cn(CC(N)=O)nn2)CCCC[C@@H]1C(=O)[O-] ZINC000833572296 604892228 /nfs/dbraw/zinc/89/22/28/604892228.db2.gz MGDWBZTWSVTFQL-OQPBUACISA-N -1 0 309.326 -0.473 20 0 DBADRM C[C@@]1(NC(=O)c2cn(CC(N)=O)nn2)CCCC[C@H]1C(=O)[O-] ZINC000833572294 604892485 /nfs/dbraw/zinc/89/24/85/604892485.db2.gz MGDWBZTWSVTFQL-ISVAXAHUSA-N -1 0 309.326 -0.473 20 0 DBADRM CC[S@@](=O)CCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833667199 604892881 /nfs/dbraw/zinc/89/28/81/604892881.db2.gz HFSHDUYWISRUBO-CFMSYZGJSA-N -1 0 306.384 -0.378 20 0 DBADRM COc1ccccc1[C@H](O)CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000829610238 604895216 /nfs/dbraw/zinc/89/52/16/604895216.db2.gz ANSCRAAWFYQJCX-ZMLRMANQSA-N -1 0 324.333 -0.042 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)C1 ZINC000832049941 604898025 /nfs/dbraw/zinc/89/80/25/604898025.db2.gz LGMYQCLEUWSLGZ-SRVKXCTJSA-N -1 0 314.338 -0.228 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)C1 ZINC000832049944 604898325 /nfs/dbraw/zinc/89/83/25/604898325.db2.gz LGMYQCLEUWSLGZ-UTUOFQBUSA-N -1 0 314.338 -0.228 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000825016460 604900652 /nfs/dbraw/zinc/90/06/52/604900652.db2.gz QNRSTUBUVMTIQO-IUCAKERBSA-N -1 0 308.356 -0.743 20 0 DBADRM COc1cccc([C@H](O)CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000829543351 604902803 /nfs/dbraw/zinc/90/28/03/604902803.db2.gz IYKYPRMVNQTMNV-RAIGVLPGSA-N -1 0 324.333 -0.042 20 0 DBADRM COCCN1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828993141 604906980 /nfs/dbraw/zinc/90/69/80/604906980.db2.gz XRHADWFZHQQPQR-GFCCVEGCSA-N -1 0 315.370 -0.454 20 0 DBADRM COCCN(CC(=O)OC)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828979028 604909994 /nfs/dbraw/zinc/90/99/94/604909994.db2.gz AZXYKQLWBVFKKK-VIFPVBQESA-N -1 0 304.299 -0.987 20 0 DBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000823736810 604911349 /nfs/dbraw/zinc/91/13/49/604911349.db2.gz APEDCPGBFOIDFF-KXUCPTDWSA-N -1 0 322.383 -0.355 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC[C@H](CNC(=O)[O-])C2)cn1 ZINC000831008862 604914021 /nfs/dbraw/zinc/91/40/21/604914021.db2.gz DUGWNUDJGZNHMM-SECBINFHSA-N -1 0 309.326 -0.135 20 0 DBADRM NC(=O)c1csc(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)n1 ZINC000831241792 604930534 /nfs/dbraw/zinc/93/05/34/604930534.db2.gz YKLJWUSOCFZBDO-LURJTMIESA-N -1 0 314.323 -0.051 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NCC[C@H](O)C(F)(F)F)C1 ZINC000831659465 604939224 /nfs/dbraw/zinc/93/92/24/604939224.db2.gz ICTNQSVDSCSJRR-BQBZGAKWSA-N -1 0 300.233 -0.205 20 0 DBADRM CC(C)c1nncn1CCNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824509606 604939984 /nfs/dbraw/zinc/93/99/84/604939984.db2.gz ACJAYXBCCRUWDD-JTQLQIEISA-N -1 0 311.342 -0.104 20 0 DBADRM CC(C)N1C(=O)N[C@]2(CCN(C(=O)CN(C)C(=O)[O-])C2)C1=O ZINC000833500631 604941049 /nfs/dbraw/zinc/94/10/49/604941049.db2.gz NPZNJFZELQRKCX-ZDUSSCGKSA-N -1 0 312.326 -0.473 20 0 DBADRM COC(=O)[C@@](C)(NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000828602654 604941133 /nfs/dbraw/zinc/94/11/33/604941133.db2.gz XFBZRJMCRLFVQX-ZANVPECISA-N -1 0 300.311 -0.177 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000833739759 604941350 /nfs/dbraw/zinc/94/13/50/604941350.db2.gz RCBROOQCGYJJOO-YFKPBYRVSA-N -1 0 307.353 -0.332 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CCS1(=O)=O ZINC000825975823 604944286 /nfs/dbraw/zinc/94/42/86/604944286.db2.gz ROQDQPSBRBZOEL-RKDXNWHRSA-N -1 0 306.340 -0.989 20 0 DBADRM C[C@@H]1CN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCS1(=O)=O ZINC000825984133 604944354 /nfs/dbraw/zinc/94/43/54/604944354.db2.gz UMWOMWSDGMPCOT-NXEZZACHSA-N -1 0 320.367 -0.599 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826094448 604946664 /nfs/dbraw/zinc/94/66/64/604946664.db2.gz YQBAYTLOOMWIIO-BDAKNGLRSA-N -1 0 306.340 -0.989 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000831806545 604947043 /nfs/dbraw/zinc/94/70/43/604947043.db2.gz QLSYGOCIYFNZLS-SNVBAGLBSA-N -1 0 318.293 -0.020 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828266227 604949184 /nfs/dbraw/zinc/94/91/84/604949184.db2.gz DPWMLTHSRSBNLG-ZJUUUORDSA-N -1 0 320.367 -0.742 20 0 DBADRM CC1(C)CN=C(N2CCN(CC(=O)NCC(=O)[O-])CC2)S1 ZINC000820211857 604951267 /nfs/dbraw/zinc/95/12/67/604951267.db2.gz KYSMNUBLLWCFKD-UHFFFAOYSA-N -1 0 314.411 -0.314 20 0 DBADRM COC[C@H]1CN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000828930046 604958363 /nfs/dbraw/zinc/95/83/63/604958363.db2.gz NHZNQBWDJVXFGE-WDEREUQCSA-N -1 0 302.327 -0.371 20 0 DBADRM O=C([O-])c1ccc(N2CCN(C(=O)c3cnsn3)CC2)nn1 ZINC000833782967 604959886 /nfs/dbraw/zinc/95/98/86/604959886.db2.gz RWSGQVVTWUUHAJ-UHFFFAOYSA-N -1 0 320.334 -0.011 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)NCC2(O)CCOCC2)C1 ZINC000831380057 604973275 /nfs/dbraw/zinc/97/32/75/604973275.db2.gz BXHBSGLXCBPXQF-SNVBAGLBSA-N -1 0 302.327 -0.587 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833656773 604976297 /nfs/dbraw/zinc/97/62/97/604976297.db2.gz HFPJBCOOSLRKHR-PSASIEDQSA-N -1 0 301.343 -0.622 20 0 DBADRM CC(C)NC(=O)NC(=O)[C@@H](C)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833503298 604980032 /nfs/dbraw/zinc/98/00/32/604980032.db2.gz TUOBVZBDGJGMOE-KOLCDFICSA-N -1 0 315.370 -0.233 20 0 DBADRM C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833549875 604981677 /nfs/dbraw/zinc/98/16/77/604981677.db2.gz HNPMGRSVDQRNFO-PSASIEDQSA-N -1 0 324.385 -0.262 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833404401 604981869 /nfs/dbraw/zinc/98/18/69/604981869.db2.gz KGWYSIFFGOYKFE-RTXFEEFZSA-N -1 0 314.382 -0.172 20 0 DBADRM CC(=O)N[C@@H]1Cc2ccccc2N(CC(=O)NCC(=O)[O-])C1 ZINC000819737215 604986108 /nfs/dbraw/zinc/98/61/08/604986108.db2.gz ITCDUUMBZKWPHR-GFCCVEGCSA-N -1 0 305.334 -0.245 20 0 DBADRM CC[C@H](OC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000833646070 605014150 /nfs/dbraw/zinc/01/41/50/605014150.db2.gz SCQAIYRKRITTHM-QMMMGPOBSA-N -1 0 319.339 -0.587 20 0 DBADRM CC(=O)NCCNS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC000833396871 605014368 /nfs/dbraw/zinc/01/43/68/605014368.db2.gz AVMCWDZMXJPZQB-UHFFFAOYSA-N -1 0 300.336 -0.060 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCSC[C@@H]1C(N)=O)C(=O)[O-] ZINC000833638893 605016630 /nfs/dbraw/zinc/01/66/30/605016630.db2.gz LGORRXONTUTCLV-NGZCFLSTSA-N -1 0 317.411 -0.495 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC000833738147 605018592 /nfs/dbraw/zinc/01/85/92/605018592.db2.gz SPPQRQSYWUYLKI-UHFFFAOYSA-N -1 0 321.376 -0.151 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@H](C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC000833421331 605025303 /nfs/dbraw/zinc/02/53/03/605025303.db2.gz ZDRUOGJPJAJMSD-UWVGGRQHSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)C(=O)Nc1nc(CC(=O)NC[C@H](O)C(=O)[O-])cs1 ZINC000833466276 605025366 /nfs/dbraw/zinc/02/53/66/605025366.db2.gz CHNJIHISBSHOAI-QMMMGPOBSA-N -1 0 315.351 -0.158 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000820503921 605027771 /nfs/dbraw/zinc/02/77/71/605027771.db2.gz JHBAESOMSMNJDP-SNVBAGLBSA-N -1 0 310.310 -0.767 20 0 DBADRM NC(=O)c1ccc(NC(=O)C(=O)NCCCC(=O)[O-])c(F)c1 ZINC000821353228 605027865 /nfs/dbraw/zinc/02/78/65/605027865.db2.gz QYVFYHFFZNYWAT-UHFFFAOYSA-N -1 0 311.269 -0.156 20 0 DBADRM CC(C)C[C@H](O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000226059581 605032253 /nfs/dbraw/zinc/03/22/53/605032253.db2.gz LNEMLCVBIALWCJ-VIFPVBQESA-N -1 0 305.356 -0.347 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H](O)COCC2CC2)c[nH]1 ZINC000833780483 605033430 /nfs/dbraw/zinc/03/34/30/605033430.db2.gz UPWGXCAINIUXII-SECBINFHSA-N -1 0 318.351 -0.221 20 0 DBADRM O=C([O-])c1cccc(CS(=O)(=O)N(CCO)CCCO)c1 ZINC000385311331 605034305 /nfs/dbraw/zinc/03/43/05/605034305.db2.gz XBXWCKJSNNQSCG-UHFFFAOYSA-N -1 0 317.363 -0.109 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC000833762380 605042029 /nfs/dbraw/zinc/04/20/29/605042029.db2.gz QKKBAAZPBJSSLL-VIFPVBQESA-N -1 0 313.335 -0.334 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000833528595 605051064 /nfs/dbraw/zinc/05/10/64/605051064.db2.gz POUMNGUEKJZBCO-VHSXEESVSA-N -1 0 317.367 -0.251 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cn1 ZINC000833681942 605051393 /nfs/dbraw/zinc/05/13/93/605051393.db2.gz MUKXKUHPMUXZPD-LLVKDONJSA-N -1 0 317.367 -0.251 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC000833422318 605053125 /nfs/dbraw/zinc/05/31/25/605053125.db2.gz DFJCHXQBXCAYDU-VIFPVBQESA-N -1 0 315.351 -0.042 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC[S@](C)=O ZINC000833627694 605054032 /nfs/dbraw/zinc/05/40/32/605054032.db2.gz ZIKTULAKDCIZTA-SBKAZYGRSA-N -1 0 305.400 -0.445 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C(C)(C)C1 ZINC000833391820 605062007 /nfs/dbraw/zinc/06/20/07/605062007.db2.gz VYVMEZLXAUNQDW-VIFPVBQESA-N -1 0 306.384 -0.020 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)c2cnc3n(c2=O)CCS3)C1 ZINC000740591842 605065778 /nfs/dbraw/zinc/06/57/78/605065778.db2.gz APFOVOJEJPYALU-ZETCQYMHSA-N -1 0 310.335 -0.169 20 0 DBADRM Cc1oc(C(=O)N2CC[C@H](NC(=O)[O-])C2)cc1S(N)(=O)=O ZINC000830942522 605066061 /nfs/dbraw/zinc/06/60/61/605066061.db2.gz MNTRGLHEWFDALG-ZETCQYMHSA-N -1 0 317.323 -0.282 20 0 DBADRM CS(=O)(=O)N1CCC(C(=O)N2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000739983637 605070302 /nfs/dbraw/zinc/07/03/02/605070302.db2.gz CBOBLAAPDJPIJG-JTQLQIEISA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@H](NC(=O)[O-])C2)C1=O ZINC000739074123 605071478 /nfs/dbraw/zinc/07/14/78/605071478.db2.gz IYPAIKSFHSEQEJ-XPTSAGLGSA-N -1 0 324.337 -0.425 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000831903414 605075501 /nfs/dbraw/zinc/07/55/01/605075501.db2.gz XBQGCPXNTQDEAL-LDYMZIIASA-N -1 0 308.331 -0.228 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000831645899 605075879 /nfs/dbraw/zinc/07/58/79/605075879.db2.gz FZJZZTRWZIFQPW-DTWKUNHWSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000831647413 605075959 /nfs/dbraw/zinc/07/59/59/605075959.db2.gz MGAVBKZWKVXKOG-IUCAKERBSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NC[C@@H]1CCCS1(=O)=O ZINC000831380878 605077164 /nfs/dbraw/zinc/07/71/64/605077164.db2.gz HPQGJTCYBQNUOB-ZJUUUORDSA-N -1 0 320.367 -0.551 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NC[C@H]1CCCS1(=O)=O ZINC000831380873 605077306 /nfs/dbraw/zinc/07/73/06/605077306.db2.gz HPQGJTCYBQNUOB-NXEZZACHSA-N -1 0 320.367 -0.551 20 0 DBADRM CC(=O)N1C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])Oc2ccccc21 ZINC000833393140 605088486 /nfs/dbraw/zinc/08/84/86/605088486.db2.gz PHGVFWGQNSHKRD-JQWIXIFHSA-N -1 0 308.290 -0.638 20 0 DBADRM CN1C(=O)C[C@H](C(=O)NC[C@H](O)C(=O)[O-])[C@H]1c1cccnc1 ZINC000833698094 605089571 /nfs/dbraw/zinc/08/95/71/605089571.db2.gz NLMMQAHSKOEENG-JBLDHEPKSA-N -1 0 307.306 -0.837 20 0 DBADRM Cc1nc2ccnn2c(C)c1CCC(=O)NC[C@H](O)C(=O)[O-] ZINC000833756505 605089881 /nfs/dbraw/zinc/08/98/81/605089881.db2.gz LBBOWGVTHFUNIY-NSHDSACASA-N -1 0 306.322 -0.160 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC000833436560 605090262 /nfs/dbraw/zinc/09/02/62/605090262.db2.gz KNTXHDPYJDOAJJ-SDBXPKJASA-N -1 0 320.317 -0.103 20 0 DBADRM C[C@H](CNC(=O)N1CC[C@H](NC(=O)[O-])C1)N1CCOCC1 ZINC000738914269 605092464 /nfs/dbraw/zinc/09/24/64/605092464.db2.gz BRJLDTQACCXZAR-MNOVXSKESA-N -1 0 300.359 -0.241 20 0 DBADRM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC000833423369 605095691 /nfs/dbraw/zinc/09/56/91/605095691.db2.gz VSMBJUTZZNZFQT-ZJUUUORDSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739191213 605099926 /nfs/dbraw/zinc/09/99/26/605099926.db2.gz RSJYBLSJBPROOI-MNOVXSKESA-N -1 0 300.359 -0.241 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739516633 605102831 /nfs/dbraw/zinc/10/28/31/605102831.db2.gz QGGLGRVFSSTEKM-BDAKNGLRSA-N -1 0 307.372 -0.139 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739516639 605102929 /nfs/dbraw/zinc/10/29/29/605102929.db2.gz QGGLGRVFSSTEKM-IUCAKERBSA-N -1 0 307.372 -0.139 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)c(=O)n(C)c1 ZINC000830089119 605108973 /nfs/dbraw/zinc/10/89/73/605108973.db2.gz AXIAOXLITDLUEJ-SECBINFHSA-N -1 0 322.321 -0.499 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[C@H](NC(=O)[O-])C2)O1 ZINC000831171819 605111550 /nfs/dbraw/zinc/11/15/50/605111550.db2.gz GAWRFTUPBUAFMI-YIZRAAEISA-N -1 0 300.315 -0.929 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)cn1 ZINC000739907388 605119323 /nfs/dbraw/zinc/11/93/23/605119323.db2.gz BGTWQGIWMMGKER-VIFPVBQESA-N -1 0 308.294 -0.103 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NCCS(=O)(=O)CC1CC1 ZINC000831699706 605121491 /nfs/dbraw/zinc/12/14/91/605121491.db2.gz NTWWBDDTCLSAGR-VIFPVBQESA-N -1 0 322.408 -0.020 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCS(=O)(=O)CC1CC1 ZINC000831700141 605121496 /nfs/dbraw/zinc/12/14/96/605121496.db2.gz VXTWFKWNCALBPR-JTQLQIEISA-N -1 0 320.367 -0.694 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000740586124 605135885 /nfs/dbraw/zinc/13/58/85/605135885.db2.gz KYFAUYBYVLTRLD-QMMMGPOBSA-N -1 0 318.289 -0.302 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000740590567 605139844 /nfs/dbraw/zinc/13/98/44/605139844.db2.gz XICDQOWOFFPNOT-DTWKUNHWSA-N -1 0 322.408 -0.225 20 0 DBADRM CS(=O)(=O)CCN(CCc1cn(CC(=O)[O-])nn1)C1CC1 ZINC000833738525 605151262 /nfs/dbraw/zinc/15/12/62/605151262.db2.gz ZHJLYNISLWCFNK-UHFFFAOYSA-N -1 0 316.383 -0.586 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N(C)CC(=O)N1CCN(C)CC1 ZINC000827514146 605159238 /nfs/dbraw/zinc/15/92/38/605159238.db2.gz KEDMLTWUWNUPJX-JTQLQIEISA-N -1 0 300.359 -0.735 20 0 DBADRM C[C@H]1CN(C(=O)CCCNC(=O)[O-])CCN1S(C)(=O)=O ZINC000833740556 605166346 /nfs/dbraw/zinc/16/63/46/605166346.db2.gz FLGNPMJBTKDGCS-VIFPVBQESA-N -1 0 307.372 -0.474 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833497092 605167862 /nfs/dbraw/zinc/16/78/62/605167862.db2.gz YLWVVBGRYJLROE-UHFFFAOYSA-N -1 0 318.355 -0.742 20 0 DBADRM O=C([O-])NCc1nnnn1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000832738615 605178478 /nfs/dbraw/zinc/17/84/78/605178478.db2.gz MSJDAFUEWBPDRA-UWVGGRQHSA-N -1 0 324.341 -0.389 20 0 DBADRM C[C@@H](CS(=O)(=O)N(CCS(C)(=O)=O)C1CC1)C(=O)[O-] ZINC000833520949 605178856 /nfs/dbraw/zinc/17/88/56/605178856.db2.gz WLYAFMPALJKBTL-QMMMGPOBSA-N -1 0 313.397 -0.454 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000830634495 605185186 /nfs/dbraw/zinc/18/51/86/605185186.db2.gz XBWLBFFXDVQEMG-UHFFFAOYSA-N -1 0 300.340 -0.043 20 0 DBADRM CC(C)[C@@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)NC(N)=O ZINC000824149548 605198999 /nfs/dbraw/zinc/19/89/99/605198999.db2.gz HKFUXUWRGXHNGB-JGVFFNPUSA-N -1 0 317.298 -0.872 20 0 DBADRM C[C@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)[C@H]1CN(C)CCO1 ZINC000825094936 605201468 /nfs/dbraw/zinc/20/14/68/605201468.db2.gz VASNBNCNAZFWFV-HBNTYKKESA-N -1 0 301.343 -0.800 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cc2ccn(C)n2)[C@H](C(=O)[O-])C1 ZINC000833709868 605202957 /nfs/dbraw/zinc/20/29/57/605202957.db2.gz NFWQUPAWAAVQEP-ONGXEEELSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cc2ccn(C)n2)[C@@H](C(=O)[O-])C1 ZINC000833709867 605203261 /nfs/dbraw/zinc/20/32/61/605203261.db2.gz NFWQUPAWAAVQEP-MWLCHTKSSA-N -1 0 309.322 -0.173 20 0 DBADRM CS(=O)(=O)CCCCOC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000829668952 605203373 /nfs/dbraw/zinc/20/33/73/605203373.db2.gz JFSUZMVGHPYSEK-SECBINFHSA-N -1 0 309.340 -0.267 20 0 DBADRM O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)NCC(F)(F)F ZINC000831497223 605206596 /nfs/dbraw/zinc/20/65/96/605206596.db2.gz AKDJUUSZWKSROH-ZCFIWIBFSA-N -1 0 314.216 -0.413 20 0 DBADRM C[C@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCOCC1 ZINC000825560233 605207375 /nfs/dbraw/zinc/20/73/75/605207375.db2.gz HYABDYGMWUVPIM-VHSXEESVSA-N -1 0 316.310 -0.844 20 0 DBADRM CC(=O)N1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)C(C)(C)C1 ZINC000833394123 605210159 /nfs/dbraw/zinc/21/01/59/605210159.db2.gz RWVAMNSQZVEBOT-UHFFFAOYSA-N -1 0 309.326 -0.554 20 0 DBADRM O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NC1CCOCC1 ZINC000831497213 605213206 /nfs/dbraw/zinc/21/32/06/605213206.db2.gz ADJXYWBJZHVDBY-JTQLQIEISA-N -1 0 316.310 -0.796 20 0 DBADRM CCCCn1nnnc1COC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826853246 605217093 /nfs/dbraw/zinc/21/70/93/605217093.db2.gz JXZPLDGIJFPTQQ-VIFPVBQESA-N -1 0 313.314 -0.105 20 0 DBADRM C[C@H](COC(=O)C[C@H]1CN(C(=O)[O-])CCO1)CS(C)(=O)=O ZINC000824987586 605226139 /nfs/dbraw/zinc/22/61/39/605226139.db2.gz OMRCMQALVDEODK-ZJUUUORDSA-N -1 0 323.367 -0.021 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)NCCN(C)C(=O)[O-])CC1 ZINC000827961275 605229524 /nfs/dbraw/zinc/22/95/24/605229524.db2.gz SXHYWHDFEIOAMG-UHFFFAOYSA-N -1 0 315.374 -0.988 20 0 DBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)NCCNC(=O)C1CC1 ZINC000831514749 605238131 /nfs/dbraw/zinc/23/81/31/605238131.db2.gz YTMFEPZQOMZMKZ-NSHDSACASA-N -1 0 313.354 -0.212 20 0 DBADRM NC(=O)C1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000831177811 605241276 /nfs/dbraw/zinc/24/12/76/605241276.db2.gz AWHUKPNDPMYSOD-LLVKDONJSA-N -1 0 313.354 -0.131 20 0 DBADRM CCCNC(=O)CNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000826925127 605242202 /nfs/dbraw/zinc/24/22/02/605242202.db2.gz BXBFIKSOWLNLOR-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN(C)CCNC(=O)N(C)C)C(=O)[O-] ZINC000833478265 605244634 /nfs/dbraw/zinc/24/46/34/605244634.db2.gz OVMAKULSGRDCSB-LLVKDONJSA-N -1 0 316.402 -0.195 20 0 DBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)N[C@@H]1CCS(=O)(=O)C1 ZINC000831514927 605244782 /nfs/dbraw/zinc/24/47/82/605244782.db2.gz ZTYOKWNITIUWKH-ZJUUUORDSA-N -1 0 320.367 -0.551 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)CCc1nnc[nH]1)C(=O)[O-] ZINC000833490968 605248882 /nfs/dbraw/zinc/24/88/82/605248882.db2.gz MKDPHHVQPQSZCN-VIFPVBQESA-N -1 0 311.342 -0.531 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1ccc(=O)[nH]n1)C(=O)[O-] ZINC000833492785 605249734 /nfs/dbraw/zinc/24/97/34/605249734.db2.gz SHTWDSKMEBOBGV-VIFPVBQESA-N -1 0 310.310 -0.473 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000823759189 605251063 /nfs/dbraw/zinc/25/10/63/605251063.db2.gz GLMALIJEXSMNRH-BDAKNGLRSA-N -1 0 321.399 -0.181 20 0 DBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)N[C@H]1CCCCNC1=O ZINC000831513307 605262040 /nfs/dbraw/zinc/26/20/40/605262040.db2.gz OZNDWDKEQZTZCZ-QWRGUYRKSA-N -1 0 313.354 -0.070 20 0 DBADRM COC(=O)Cn1cc([C@@H](C)OC(=O)CN(C)C(=O)[O-])nn1 ZINC000828699002 605265788 /nfs/dbraw/zinc/26/57/88/605265788.db2.gz BFQGPZMNTRDROP-SSDOTTSWSA-N -1 0 300.271 -0.335 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@H](CO)C(=O)[O-])C1 ZINC000833435670 605267802 /nfs/dbraw/zinc/26/78/02/605267802.db2.gz QUZQEWAVQNORAL-RKDXNWHRSA-N -1 0 302.327 -0.195 20 0 DBADRM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC000833440263 605268922 /nfs/dbraw/zinc/26/89/22/605268922.db2.gz WHYHMBGSUYLNQW-IUCAKERBSA-N -1 0 302.327 -0.052 20 0 DBADRM C[C@H](OC(=O)CSc1nncs1)C(=O)NCC(=O)[O-] ZINC000833533482 605276324 /nfs/dbraw/zinc/27/63/24/605276324.db2.gz XIHSREZLDKITCV-YFKPBYRVSA-N -1 0 305.337 -0.237 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)CN(C(=O)[O-])c2ccccc2)CCO1 ZINC000831179359 605285094 /nfs/dbraw/zinc/28/50/94/605285094.db2.gz WDGFZZXTYNYGIL-LLVKDONJSA-N -1 0 307.306 -0.116 20 0 DBADRM CC[C@@H](NC(=O)c1cc(C(=O)[O-])no1)C(=O)N1CCOCC1 ZINC000833643176 605286543 /nfs/dbraw/zinc/28/65/43/605286543.db2.gz NKTVQILVZYRVRV-MRVPVSSYSA-N -1 0 311.294 -0.260 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC000832049338 605291879 /nfs/dbraw/zinc/29/18/79/605291879.db2.gz FGSBVFJYIHIXKH-VXGBXAGGSA-N -1 0 313.354 -0.702 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833485342 605295553 /nfs/dbraw/zinc/29/55/53/605295553.db2.gz PZSFLRVKKCIZOI-NSHDSACASA-N -1 0 308.400 -0.024 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC000833615279 605295641 /nfs/dbraw/zinc/29/56/41/605295641.db2.gz AEFYRYIMCIVYLG-KOLCDFICSA-N -1 0 306.384 -0.270 20 0 DBADRM CC(=O)NCC(=O)NCc1nc(C[C@@H](C)N(C)C(=O)[O-])no1 ZINC000823575558 605299738 /nfs/dbraw/zinc/29/97/38/605299738.db2.gz UDLUTEMYXPVCBE-SSDOTTSWSA-N -1 0 313.314 -0.637 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)NCC(=O)NCC2CC2)c1 ZINC000694171999 605301027 /nfs/dbraw/zinc/30/10/27/605301027.db2.gz KXFGGJODNMMJPD-UHFFFAOYSA-N -1 0 302.308 -0.218 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCN3C(=O)CC[C@H]3C2)C1 ZINC000834115035 605307056 /nfs/dbraw/zinc/30/70/56/605307056.db2.gz CLSXLIOUWGHTTD-QWRGUYRKSA-N -1 0 311.338 -0.412 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000825016207 605307806 /nfs/dbraw/zinc/30/78/06/605307806.db2.gz NQCXJDNQWDBMKU-UWVGGRQHSA-N -1 0 322.383 -0.305 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000833894497 605308219 /nfs/dbraw/zinc/30/82/19/605308219.db2.gz ARBNVBMPHDLQHP-PSASIEDQSA-N -1 0 300.311 -0.177 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000825016209 605308160 /nfs/dbraw/zinc/30/81/60/605308160.db2.gz NQCXJDNQWDBMKU-ZJUUUORDSA-N -1 0 322.383 -0.305 20 0 DBADRM CC1=C(C(=O)[O-])C[C@H](CN2CCN(CC(=O)N(C)C)CC2)O1 ZINC000833581251 605319436 /nfs/dbraw/zinc/31/94/36/605319436.db2.gz VRIAXWQRHUFHGO-GFCCVEGCSA-N -1 0 311.382 -0.160 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N(CCO)CCN1CCOCC1 ZINC000833864911 605328338 /nfs/dbraw/zinc/32/83/38/605328338.db2.gz XTYBBQHGSGXPRH-NSHDSACASA-N -1 0 303.359 -0.814 20 0 DBADRM C[C@H](OC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)C(=O)NC(N)=O ZINC000825592914 605329371 /nfs/dbraw/zinc/32/93/71/605329371.db2.gz TZJCFQCGJJQRNY-YUMQZZPRSA-N -1 0 317.298 -0.728 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@@H](CCO)C2)C(=O)C1 ZINC000834113560 605330911 /nfs/dbraw/zinc/33/09/11/605330911.db2.gz QTGIZEDPZYZUNV-NSHDSACASA-N -1 0 313.354 -0.570 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccc2c(c1)OCO2 ZINC000834195723 605335038 /nfs/dbraw/zinc/33/50/38/605335038.db2.gz FGBAVMMCCVFFFO-UHFFFAOYSA-N -1 0 309.278 -0.585 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccc2c(c1)OCCO2 ZINC000834196300 605335099 /nfs/dbraw/zinc/33/50/99/605335099.db2.gz LYNSIFHZMBWQTP-UHFFFAOYSA-N -1 0 323.305 -0.542 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000834196093 605337973 /nfs/dbraw/zinc/33/79/73/605337973.db2.gz IYHOFKKRLKOOBJ-SNVBAGLBSA-N -1 0 307.306 -0.510 20 0 DBADRM CN(CCCN1C(=O)N[C@@H](CCS(C)(=O)=O)C1=O)C(=O)[O-] ZINC000833872106 605340359 /nfs/dbraw/zinc/34/03/59/605340359.db2.gz FBAHNKCUVXGSCT-QMMMGPOBSA-N -1 0 321.355 -0.659 20 0 DBADRM CN1CC[C@H](OC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C1=O ZINC000828470789 605342024 /nfs/dbraw/zinc/34/20/24/605342024.db2.gz FYLMGKBWOSYRRM-ZJUUUORDSA-N -1 0 300.311 -0.081 20 0 DBADRM O=C([O-])N1CCN(CCN2C(=O)[C@@H]3CSCN3C2=O)CC1 ZINC000834112953 605343671 /nfs/dbraw/zinc/34/36/71/605343671.db2.gz MCCWOMAIVNKBRS-VIFPVBQESA-N -1 0 314.367 -0.381 20 0 DBADRM CCCCNC(=O)CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O ZINC000826836774 605343826 /nfs/dbraw/zinc/34/38/26/605343826.db2.gz QIOZGBYXOOQTED-CYBMUJFWSA-N -1 0 312.326 -0.423 20 0 DBADRM O=C([O-])NCCOc1ccc(NC(=O)Cn2cnnn2)cc1 ZINC000834245127 605345667 /nfs/dbraw/zinc/34/56/67/605345667.db2.gz UIQJMXURIVEWDB-UHFFFAOYSA-N -1 0 306.282 -0.042 20 0 DBADRM Cc1noc(C)c1C[C@H](C)NC(=O)CNC(=O)CNC(=O)[O-] ZINC000833930335 605347527 /nfs/dbraw/zinc/34/75/27/605347527.db2.gz DBSYBUAGKAYGOR-ZETCQYMHSA-N -1 0 312.326 -0.278 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000828533053 605347936 /nfs/dbraw/zinc/34/79/36/605347936.db2.gz YIYSNAYJDQRMND-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@H]1c1ccco1 ZINC000834195400 605348621 /nfs/dbraw/zinc/34/86/21/605348621.db2.gz SUHSLKJSDPXEOO-VIFPVBQESA-N -1 0 311.294 -0.437 20 0 DBADRM Cc1nccn1C[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[O-] ZINC000833918219 605351070 /nfs/dbraw/zinc/35/10/70/605351070.db2.gz MURJAFBBDVDFDR-NSHDSACASA-N -1 0 323.353 -0.434 20 0 DBADRM CN(C(=O)CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O)C1CC1 ZINC000827765436 605352026 /nfs/dbraw/zinc/35/20/26/605352026.db2.gz QNHAJNVESFKGON-ZDUSSCGKSA-N -1 0 310.310 -0.719 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCS[C@@H]2COCC[C@H]21 ZINC000834194759 605352340 /nfs/dbraw/zinc/35/23/40/605352340.db2.gz OQTBOJTXAWFDDI-RKDXNWHRSA-N -1 0 317.367 -0.897 20 0 DBADRM COC(=O)C[C@H]1CCCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000828656387 605352367 /nfs/dbraw/zinc/35/23/67/605352367.db2.gz QYPPPYKZLBDCKM-SECBINFHSA-N -1 0 300.311 -0.081 20 0 DBADRM O=C([O-])N1CC[C@@]2(C1)NC(=O)N(CCC1OCCCO1)C2=O ZINC000831974129 605352499 /nfs/dbraw/zinc/35/24/99/605352499.db2.gz IKAGSOCEQBIMKH-ZDUSSCGKSA-N -1 0 313.310 -0.186 20 0 DBADRM O=C([O-])N1CC[C@]2(C1)NC(=O)N(CCC1OCCCO1)C2=O ZINC000831974128 605352578 /nfs/dbraw/zinc/35/25/78/605352578.db2.gz IKAGSOCEQBIMKH-CYBMUJFWSA-N -1 0 313.310 -0.186 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831041133 605352860 /nfs/dbraw/zinc/35/28/60/605352860.db2.gz LCXIVENLDLDWRU-NSHDSACASA-N -1 0 323.353 -0.553 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000834198961 605363438 /nfs/dbraw/zinc/36/34/38/605363438.db2.gz SGTDPIUBNGQVAE-UHFFFAOYSA-N -1 0 322.277 -0.660 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCn2c3ccccc3nc21 ZINC000834196195 605364598 /nfs/dbraw/zinc/36/45/98/605364598.db2.gz IADZPKRFJQIIQE-UHFFFAOYSA-N -1 0 317.305 -0.233 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)CNC(=O)CNC(=O)[O-])c1 ZINC000833876184 605365241 /nfs/dbraw/zinc/36/52/41/605365241.db2.gz BNEZPDQAGJOKKK-UHFFFAOYSA-N -1 0 322.321 -0.954 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)NC2CCN(C(=O)[O-])CC2)cn1 ZINC000833946267 605367276 /nfs/dbraw/zinc/36/72/76/605367276.db2.gz LGNCIHDODJYCEL-NSHDSACASA-N -1 0 311.342 -0.105 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC2(CCCCC2)C1 ZINC000834195432 605371863 /nfs/dbraw/zinc/37/18/63/605371863.db2.gz TZBYANGXNDWAAG-UHFFFAOYSA-N -1 0 313.354 -0.068 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@H]1C(F)(F)F ZINC000834193414 605372038 /nfs/dbraw/zinc/37/20/38/605372038.db2.gz GCGNKWSCEVXCRW-LURJTMIESA-N -1 0 313.232 -0.840 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)N[C@H](CNC(=O)[O-])C2CC2)cn1 ZINC000833948259 605373236 /nfs/dbraw/zinc/37/32/36/605373236.db2.gz XFKGJJAIKIXGJR-GHMZBOCLSA-N -1 0 311.342 -0.201 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000834192329 605376702 /nfs/dbraw/zinc/37/67/02/605376702.db2.gz FQJQYHKJHBHWOD-UHFFFAOYSA-N -1 0 309.326 -0.501 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1n[nH]c(-c2cccs2)n1 ZINC000834199087 605378602 /nfs/dbraw/zinc/37/86/02/605378602.db2.gz QWENWPYRNWVDCR-UHFFFAOYSA-N -1 0 324.322 -0.145 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000834199251 605379715 /nfs/dbraw/zinc/37/97/15/605379715.db2.gz VYLTUKFHJDHXRU-UHFFFAOYSA-N -1 0 318.293 -0.410 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828525975 605381937 /nfs/dbraw/zinc/38/19/37/605381937.db2.gz DMWCNTNHIXOCGZ-WDEREUQCSA-N -1 0 315.370 -0.014 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCc2c1cccc2O ZINC000834197950 605382938 /nfs/dbraw/zinc/38/29/38/605382938.db2.gz ZKSVLJYQLHBERT-JTQLQIEISA-N -1 0 307.306 -0.121 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OCc1nc(-c2ccco2)no1 ZINC000834199750 605383339 /nfs/dbraw/zinc/38/33/39/605383339.db2.gz LHEPMHJWTDFIOO-UHFFFAOYSA-N -1 0 324.249 -0.243 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)c1cccc(F)c1 ZINC000834198706 605384591 /nfs/dbraw/zinc/38/45/91/605384591.db2.gz MFKONIOAQGIWHN-UHFFFAOYSA-N -1 0 312.253 -0.065 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCC1(O)Cc2ccccc2C1 ZINC000834196620 605386069 /nfs/dbraw/zinc/38/60/69/605386069.db2.gz OLTTYBWQPMSQAN-UHFFFAOYSA-N -1 0 321.333 -0.984 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCCC[C@H]1c1ncon1 ZINC000834196000 605386191 /nfs/dbraw/zinc/38/61/91/605386191.db2.gz YSSWKHHKKAASQT-QMMMGPOBSA-N -1 0 311.298 -0.493 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCC(O)(C(=O)[O-])CC1 ZINC000833434125 605386199 /nfs/dbraw/zinc/38/61/99/605386199.db2.gz QSXIANXWFRJSGL-UHFFFAOYSA-N -1 0 316.354 -0.644 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCC1(O)CCCCCC1 ZINC000834196198 605386546 /nfs/dbraw/zinc/38/65/46/605386546.db2.gz IBUYPGZIXXHNAU-UHFFFAOYSA-N -1 0 301.343 -0.428 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCC[C@H](O)c1ccccc1 ZINC000834195642 605386695 /nfs/dbraw/zinc/38/66/95/605386695.db2.gz CDOJEFIWLKRAQI-NSHDSACASA-N -1 0 309.322 -0.390 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCCCc1ccc(O)cc1 ZINC000834196973 605386716 /nfs/dbraw/zinc/38/67/16/605386716.db2.gz UIVHGRDJNNUCQV-UHFFFAOYSA-N -1 0 309.322 -0.175 20 0 DBADRM CCCNC(=O)CNS(=O)(=O)C1CCN(C(=O)[O-])CC1 ZINC000833855887 605387320 /nfs/dbraw/zinc/38/73/20/605387320.db2.gz QJQFZIYGKNTIGV-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM C[C@H](CC(=O)c1ccco1)NC(=O)CNC(=O)CNC(=O)[O-] ZINC000833801516 605387455 /nfs/dbraw/zinc/38/74/55/605387455.db2.gz KPUWFHGJPXJXMH-MRVPVSSYSA-N -1 0 311.294 -0.259 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000834199274 605387598 /nfs/dbraw/zinc/38/75/98/605387598.db2.gz WSIPSQKTUAPIID-UHFFFAOYSA-N -1 0 323.284 -0.298 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000834196815 605388247 /nfs/dbraw/zinc/38/82/47/605388247.db2.gz NZNNIIMQOXACSC-SNVBAGLBSA-N -1 0 313.285 -0.641 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCC(OCCCO)CC1 ZINC000831271424 605393667 /nfs/dbraw/zinc/39/36/67/605393667.db2.gz BZBYVBNLBQAVOT-CMPLNLGQSA-N -1 0 316.354 -0.510 20 0 DBADRM O=C([O-])NC[C@@H](C(=O)NCCn1ncnn1)c1ccccc1 ZINC000832406822 605399591 /nfs/dbraw/zinc/39/95/91/605399591.db2.gz AZLWHLJXMXLOEX-LLVKDONJSA-N -1 0 304.310 -0.159 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@@H]2CCN(C(=O)[O-])C2)O1 ZINC000833979351 605399987 /nfs/dbraw/zinc/39/99/87/605399987.db2.gz BJPOPJLIRYIBNY-GUBZILKMSA-N -1 0 314.342 -0.682 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1nc(C(F)(F)F)c[nH]1 ZINC000834198765 605400073 /nfs/dbraw/zinc/40/00/73/605400073.db2.gz NGSQFMKEFRXFBP-UHFFFAOYSA-N -1 0 309.204 -0.249 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NCc1ccco1 ZINC000833893886 605401194 /nfs/dbraw/zinc/40/11/94/605401194.db2.gz FXBYSCISMVJENS-VIFPVBQESA-N -1 0 304.324 -0.033 20 0 DBADRM O=C([O-])NCCC(=O)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000832596182 605401865 /nfs/dbraw/zinc/40/18/65/605401865.db2.gz SLKFUNSOQDBGKO-LBPRGKRZSA-N -1 0 315.370 -0.406 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@@H](O)COCC1CC1 ZINC000831622579 605403236 /nfs/dbraw/zinc/40/32/36/605403236.db2.gz XMPZUVQGSWMPIV-MNOVXSKESA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@H](O)COCC1CC1 ZINC000831622581 605403805 /nfs/dbraw/zinc/40/38/05/605403805.db2.gz XMPZUVQGSWMPIV-WDEREUQCSA-N -1 0 302.327 -0.731 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000833983870 605411445 /nfs/dbraw/zinc/41/14/45/605411445.db2.gz LARULNPBZXISSP-SNVBAGLBSA-N -1 0 318.293 -0.283 20 0 DBADRM CCNC(=O)NC1(C(=O)N[C@H](COC)C(=O)[O-])CCCC1 ZINC000833656419 605416869 /nfs/dbraw/zinc/41/68/69/605416869.db2.gz FATUYGBZKOHYRW-SECBINFHSA-N -1 0 301.343 -0.166 20 0 DBADRM Cn1c(COC(=O)[C@H](CC(N)=O)NC(=O)[O-])nnc1C1CC1 ZINC000833942452 605417091 /nfs/dbraw/zinc/41/70/91/605417091.db2.gz SVHYVARTDSHXJP-ZETCQYMHSA-N -1 0 311.298 -0.753 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000833894760 605418228 /nfs/dbraw/zinc/41/82/28/605418228.db2.gz NLHAVTLFCVXAIN-AEJSXWLSSA-N -1 0 322.383 -0.523 20 0 DBADRM CC(C)(CN1C(=O)N[C@H](CC(=O)[O-])C1=O)CS(C)(=O)=O ZINC000833458275 605418679 /nfs/dbraw/zinc/41/86/79/605418679.db2.gz QQWTXTVGZGLGMR-SSDOTTSWSA-N -1 0 306.340 -0.548 20 0 DBADRM CN(CCCn1ccnc1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000828311824 605420700 /nfs/dbraw/zinc/42/07/00/605420700.db2.gz AMSXVRNHSIQTBO-UHFFFAOYSA-N -1 0 323.353 -0.446 20 0 DBADRM NS(=O)(=O)CCCNC(=O)CC[C@@H]1CCCN1C(=O)[O-] ZINC000833987045 605421972 /nfs/dbraw/zinc/42/19/72/605421972.db2.gz WLFQPJUUJLFZKT-VIFPVBQESA-N -1 0 307.372 -0.296 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)N(C)C ZINC000833683554 605424163 /nfs/dbraw/zinc/42/41/63/605424163.db2.gz RPPNPADPCYVVGO-UHFFFAOYSA-N -1 0 304.324 -0.093 20 0 DBADRM Cn1cc(COC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-])cn1 ZINC000833946789 605429191 /nfs/dbraw/zinc/42/91/91/605429191.db2.gz MVJGRZFDVBPVSO-SECBINFHSA-N -1 0 319.339 -0.466 20 0 DBADRM COCCC(=O)N1CCC(NC(=O)CN(C)C(=O)[O-])CC1 ZINC000828930133 605430237 /nfs/dbraw/zinc/43/02/37/605430237.db2.gz PHCMXIMBDLHDGE-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM NC(=O)C1(NC(=O)C2CCC(NC(=O)[O-])CC2)CCOCC1 ZINC000831167563 605430500 /nfs/dbraw/zinc/43/05/00/605430500.db2.gz LVFJGAYXZPCKGW-UHFFFAOYSA-N -1 0 313.354 -0.037 20 0 DBADRM COC(=O)N1CC(NC(=O)C2(OC)CCN(C(=O)[O-])CC2)C1 ZINC000828705133 605433226 /nfs/dbraw/zinc/43/32/26/605433226.db2.gz RUHNYKUNTQFIMX-UHFFFAOYSA-N -1 0 315.326 -0.288 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCSC1 ZINC000833895033 605434198 /nfs/dbraw/zinc/43/41/98/605434198.db2.gz PVKKUZSQAHOACJ-YUMQZZPRSA-N -1 0 310.397 -0.321 20 0 DBADRM COCCN(CC(=O)N(C)C1(C(N)=O)CCCC1)C(=O)[O-] ZINC000833883858 605434790 /nfs/dbraw/zinc/43/47/90/605434790.db2.gz VDHWOCOHRIAWJK-UHFFFAOYSA-N -1 0 301.343 -0.131 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCC(C(=O)NCCO)CC1 ZINC000826743039 605435520 /nfs/dbraw/zinc/43/55/20/605435520.db2.gz GKWBXVUQEDRFTE-LLVKDONJSA-N -1 0 315.370 -0.230 20 0 DBADRM O=C([O-])N1CC[C@@H](C(=O)N2CCC(C(=O)NCCO)CC2)C1 ZINC000831693162 605436529 /nfs/dbraw/zinc/43/65/29/605436529.db2.gz JORBVVLWLPYBQG-LLVKDONJSA-N -1 0 313.354 -0.667 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)CCOC2CN(C(=O)[O-])C2)cn1 ZINC000833945302 605436621 /nfs/dbraw/zinc/43/66/21/605436621.db2.gz GRPZSYAFKOOKNC-LLVKDONJSA-N -1 0 312.326 -0.661 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC(C(=O)NCCO)CC1 ZINC000827514903 605437529 /nfs/dbraw/zinc/43/75/29/605437529.db2.gz WVJHETYAHRTSRL-JTQLQIEISA-N -1 0 301.343 -0.620 20 0 DBADRM O=C([O-])NC1(C(=O)N2CCN(C(=O)CO)CC2)CCCCC1 ZINC000834152425 605437704 /nfs/dbraw/zinc/43/77/04/605437704.db2.gz NWNRJBUVBWVBRL-UHFFFAOYSA-N -1 0 313.354 -0.380 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCC[C@@H](OCCO)C1 ZINC000831284255 605440052 /nfs/dbraw/zinc/44/00/52/605440052.db2.gz ULMGTGYXJJPIEQ-MNOVXSKESA-N -1 0 302.327 -0.635 20 0 DBADRM Cc1ccc(C(N)=O)cc1NC(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833905003 605440771 /nfs/dbraw/zinc/44/07/71/605440771.db2.gz NDARGZRTMJEDHR-VIFPVBQESA-N -1 0 308.294 -0.456 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000831485648 605441971 /nfs/dbraw/zinc/44/19/71/605441971.db2.gz TWMLHMDVAZTSAV-SECBINFHSA-N -1 0 321.337 -0.795 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827388021 605444819 /nfs/dbraw/zinc/44/48/19/605444819.db2.gz KZQKUSQOGSBZCJ-NXEZZACHSA-N -1 0 318.326 -0.598 20 0 DBADRM O=C([O-])N1CCSC[C@H]1CC(=O)NCCn1ncnn1 ZINC000831413941 605445955 /nfs/dbraw/zinc/44/59/55/605445955.db2.gz HVHDZCIMTMECAH-MRVPVSSYSA-N -1 0 300.344 -0.725 20 0 DBADRM C[C@@H](CC(=O)N(CCO)CCN1CCOCC1)NC(=O)[O-] ZINC000824557379 605446647 /nfs/dbraw/zinc/44/66/47/605446647.db2.gz GLWGTFPQVBPZOV-NSHDSACASA-N -1 0 303.359 -0.814 20 0 DBADRM C[C@H](CC(=O)N(CCO)CCN1CCOCC1)NC(=O)[O-] ZINC000824557375 605447040 /nfs/dbraw/zinc/44/70/40/605447040.db2.gz GLWGTFPQVBPZOV-LLVKDONJSA-N -1 0 303.359 -0.814 20 0 DBADRM O=C([O-])N[C@@H](C(=O)N[C@H]1CCC(=O)NC1=O)c1ccccc1 ZINC000832752905 605448056 /nfs/dbraw/zinc/44/80/56/605448056.db2.gz WGDYKHNKJRZWHJ-GXSJLCMTSA-N -1 0 305.290 -0.083 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)CCC[C@@]1(C)NC(=O)NC1=O ZINC000823978880 605449280 /nfs/dbraw/zinc/44/92/80/605449280.db2.gz LADFAQKJKXTWNP-CYBMUJFWSA-N -1 0 314.342 -0.083 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000833983012 605450193 /nfs/dbraw/zinc/45/01/93/605450193.db2.gz DYPCQJVTXAXNNL-JTQLQIEISA-N -1 0 318.293 -0.283 20 0 DBADRM Cn1cc(NC(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])ccc1=O ZINC000828507025 605452474 /nfs/dbraw/zinc/45/24/74/605452474.db2.gz LZDJMAONIYBJRX-NSHDSACASA-N -1 0 323.353 -0.199 20 0 DBADRM O=C([O-])N(CCNC(=O)N1CCCS(=O)(=O)CC1)C1CC1 ZINC000834042581 605454097 /nfs/dbraw/zinc/45/40/97/605454097.db2.gz ZQWAEYALMZCSNF-UHFFFAOYSA-N -1 0 319.383 -0.041 20 0 DBADRM O=C([O-])N[C@@H]1CCCN(c2ccc(C(=O)NCCO)nn2)C1 ZINC000832366276 605456386 /nfs/dbraw/zinc/45/63/86/605456386.db2.gz REKGOIUYPUUFCL-SECBINFHSA-N -1 0 309.326 -0.565 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)N2CCCS(=O)(=O)CC2)C1 ZINC000834083940 605457625 /nfs/dbraw/zinc/45/76/25/605457625.db2.gz LDOHPZZICBQMAD-SECBINFHSA-N -1 0 305.356 -0.431 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)NCCN(CCOC)C(=O)[O-] ZINC000833876848 605458639 /nfs/dbraw/zinc/45/86/39/605458639.db2.gz JOFSYJHPFGBOPO-SNVBAGLBSA-N -1 0 316.358 -0.467 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(c2ccc(C(=O)NCCO)nn2)C1 ZINC000827900012 605460514 /nfs/dbraw/zinc/46/05/14/605460514.db2.gz NAPKURCDDVKCDP-SECBINFHSA-N -1 0 309.326 -0.613 20 0 DBADRM COCCN(CCNC(=O)NCC1(O)CCOCC1)C(=O)[O-] ZINC000833886548 605460619 /nfs/dbraw/zinc/46/06/19/605460619.db2.gz VEGHUPLZXJVVBD-UHFFFAOYSA-N -1 0 319.358 -0.547 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(c2ccc(C(=O)NCCO)nn2)C1 ZINC000827900013 605460815 /nfs/dbraw/zinc/46/08/15/605460815.db2.gz NAPKURCDDVKCDP-VIFPVBQESA-N -1 0 309.326 -0.613 20 0 DBADRM O=C([O-])N1CCC[C@H]1CCC(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000834287857 605476828 /nfs/dbraw/zinc/47/68/28/605476828.db2.gz ACXNHUYFDSFNPB-LKFCYVNXSA-N -1 0 324.337 -0.281 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000833983015 605479424 /nfs/dbraw/zinc/47/94/24/605479424.db2.gz DZYRDRXCWQFQGT-VIFPVBQESA-N -1 0 318.293 -0.283 20 0 DBADRM Cc1nsc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-])n1 ZINC000833935017 605497396 /nfs/dbraw/zinc/49/73/96/605497396.db2.gz GYXMMIFHONGGPN-ZCFIWIBFSA-N -1 0 322.368 -0.144 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CCN(C(=O)NCCNS(C)(=O)=O)C1 ZINC000833817377 605503378 /nfs/dbraw/zinc/50/33/78/605503378.db2.gz OALVBAYLVUMQTO-BDAKNGLRSA-N -1 0 322.387 -0.777 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)CC[C@@H]2CCN(C(=O)[O-])C2)O1 ZINC000833982491 605506815 /nfs/dbraw/zinc/50/68/15/605506815.db2.gz WNJBYKYQVLGBRU-VWYCJHECSA-N -1 0 313.354 -0.084 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCN(S(=O)(=O)N2CCOCC2)C1 ZINC000833814785 605515143 /nfs/dbraw/zinc/51/51/43/605515143.db2.gz CSXGPHGXFZXAPR-NXEZZACHSA-N -1 0 307.372 -0.459 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCCS(C)(=O)=O ZINC000825822621 605520646 /nfs/dbraw/zinc/52/06/46/605520646.db2.gz JOSKNKVOKDQQGE-RKDXNWHRSA-N -1 0 307.372 -0.139 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCOC2(CCOCC2)C1 ZINC000831282898 605528609 /nfs/dbraw/zinc/52/86/09/605528609.db2.gz IASZQFNQOAPSPQ-LLVKDONJSA-N -1 0 314.338 -0.227 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000780317231 605533723 /nfs/dbraw/zinc/53/37/23/605533723.db2.gz KOKHWCSNDDZOGL-UHFFFAOYSA-N -1 0 316.339 -0.817 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3ccc4n[nH]nc4c3)C2)nn1 ZINC000320758266 605537594 /nfs/dbraw/zinc/53/75/94/605537594.db2.gz JEBZQLFPKMCVKS-UHFFFAOYSA-N -1 0 313.277 -0.055 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC000320771889 605540913 /nfs/dbraw/zinc/54/09/13/605540913.db2.gz LAFRIACKYSIHMU-SNVBAGLBSA-N -1 0 321.337 -0.382 20 0 DBADRM COCC1(NC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000833881398 605543109 /nfs/dbraw/zinc/54/31/09/605543109.db2.gz BDVCMDYTEWWJBF-JTQLQIEISA-N -1 0 301.343 -0.310 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCSC[C@H]2CCO)C1 ZINC000834070208 605543206 /nfs/dbraw/zinc/54/32/06/605543206.db2.gz QOMGVUDHCHHWHU-SECBINFHSA-N -1 0 304.368 -0.308 20 0 DBADRM Cn1ncc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])c1C(F)F ZINC000833960555 605543798 /nfs/dbraw/zinc/54/37/98/605543798.db2.gz CRFRJZBLLVMCFE-SCSAIBSYSA-N -1 0 305.241 -0.192 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCSC[C@H]2CCO)C1 ZINC000834117662 605544026 /nfs/dbraw/zinc/54/40/26/605544026.db2.gz SONWOYMFOQHAGW-NXEZZACHSA-N -1 0 304.368 -0.308 20 0 DBADRM Cn1cnn(CC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])c1=O ZINC000833956663 605544299 /nfs/dbraw/zinc/54/42/99/605544299.db2.gz MQJMSYLFEKSBCK-ZJUUUORDSA-N -1 0 311.342 -0.476 20 0 DBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCOC[C@@H]2CCO)C1 ZINC000834105955 605544791 /nfs/dbraw/zinc/54/47/91/605544791.db2.gz QKHHIAROXRGSAU-NWDGAFQWSA-N -1 0 316.354 -0.245 20 0 DBADRM COCC1(O)CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000833882447 605550209 /nfs/dbraw/zinc/55/02/09/605550209.db2.gz RRCKEIXGEAMXSS-JTQLQIEISA-N -1 0 302.327 -0.635 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)NC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833992986 605551066 /nfs/dbraw/zinc/55/10/66/605551066.db2.gz PENDBQUVTLNWPZ-JTQLQIEISA-N -1 0 319.383 -0.472 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCOC[C@H]2c2ncon2)C1 ZINC000834118016 605552059 /nfs/dbraw/zinc/55/20/59/605552059.db2.gz VURFWAVMOHQBTA-DTWKUNHWSA-N -1 0 312.282 -0.652 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000833863055 605554881 /nfs/dbraw/zinc/55/48/81/605554881.db2.gz GDKVPQSKYJWIFQ-SECBINFHSA-N -1 0 308.356 -0.742 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)c1cnc(C(=O)OC)cn1 ZINC000833721691 605569202 /nfs/dbraw/zinc/56/92/02/605569202.db2.gz DVBAASVEUBYBBE-ZDUSSCGKSA-N -1 0 311.294 -0.127 20 0 DBADRM NC(=O)c1ccc(CNC(=O)c2cnc(C(=O)[O-])cn2)cn1 ZINC000833762819 605569323 /nfs/dbraw/zinc/56/93/23/605569323.db2.gz XSEBQMZDZQAMAS-UHFFFAOYSA-N -1 0 301.262 -0.401 20 0 DBADRM O=C([O-])N1CC[C@@H](N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000834085297 605584822 /nfs/dbraw/zinc/58/48/22/605584822.db2.gz RCQWQKJWHHZTLY-GFCCVEGCSA-N -1 0 324.381 -0.495 20 0 DBADRM O=C(C[C@H]1CSCCN1C(=O)[O-])N[C@H]1CCS(=O)(=O)C1 ZINC000831408790 605586800 /nfs/dbraw/zinc/58/68/00/605586800.db2.gz PKGGCKMLVWXOFF-IUCAKERBSA-N -1 0 322.408 -0.225 20 0 DBADRM O=C(C[C@H]1CSCCN1C(=O)[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC000831408786 605586850 /nfs/dbraw/zinc/58/68/50/605586850.db2.gz PKGGCKMLVWXOFF-BDAKNGLRSA-N -1 0 322.408 -0.225 20 0 DBADRM C[C@H](O)CCN(C)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000825520791 605592357 /nfs/dbraw/zinc/59/23/57/605592357.db2.gz GMUNLQWQZHHFEA-NSHDSACASA-N -1 0 302.375 -0.306 20 0 DBADRM O=C([O-])NC1CCN(CC(=O)NCc2nnc3n2CCC3)CC1 ZINC000832386398 605603947 /nfs/dbraw/zinc/60/39/47/605603947.db2.gz CXHZPOLIUOMFQZ-UHFFFAOYSA-N -1 0 322.369 -0.428 20 0 DBADRM Cn1ccnc(N2CCN([C@H]3CCN(C(=O)[O-])C3)CC2)c1=O ZINC000833953334 605608101 /nfs/dbraw/zinc/60/81/01/605608101.db2.gz WMDCJDNHEACELM-NSHDSACASA-N -1 0 307.354 -0.345 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NCCCNS(C)(=O)=O ZINC000824294904 605613448 /nfs/dbraw/zinc/61/34/48/605613448.db2.gz VIAYCLIGGOAEHB-VIFPVBQESA-N -1 0 309.388 -0.276 20 0 DBADRM CC(C)N1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1=O ZINC000809151147 605615008 /nfs/dbraw/zinc/61/50/08/605615008.db2.gz UFSKDKRQSFAGIG-UHFFFAOYSA-N -1 0 315.351 -0.046 20 0 DBADRM O=C([O-])N[C@@H](CC(=O)N1CCC2(CC1)NC(=O)NC2=O)C1CC1 ZINC000834123103 605620153 /nfs/dbraw/zinc/62/01/53/605620153.db2.gz VVQKVWVXGHYLGS-VIFPVBQESA-N -1 0 324.337 -0.377 20 0 DBADRM CS(=O)(=O)CCNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000829673009 605620272 /nfs/dbraw/zinc/62/02/72/605620272.db2.gz HHRMXQFUIHAMFR-MRVPVSSYSA-N -1 0 310.397 -0.367 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=S)NCCN2CCOCC2)C1 ZINC000739927464 605620796 /nfs/dbraw/zinc/62/07/96/605620796.db2.gz OUFRFFVSSIMSBG-NSHDSACASA-N -1 0 316.427 -0.075 20 0 DBADRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCC(=O)NCCO ZINC000834151932 605622767 /nfs/dbraw/zinc/62/27/67/605622767.db2.gz ZKZUTRIRERTWBU-LLVKDONJSA-N -1 0 309.322 -0.910 20 0 DBADRM O=C([O-])N[C@H](CC(=O)NC[C@H](O)CN1CCOCC1)C1CC1 ZINC000834124487 605630569 /nfs/dbraw/zinc/63/05/69/605630569.db2.gz GNKNQGMKBDIHMK-NWDGAFQWSA-N -1 0 315.370 -0.768 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000828670055 605630930 /nfs/dbraw/zinc/63/09/30/605630930.db2.gz BFVMJFAWNVKTDZ-VIFPVBQESA-N -1 0 323.371 -0.590 20 0 DBADRM Cn1nccc1NC(=O)C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000833964191 605633469 /nfs/dbraw/zinc/63/34/69/605633469.db2.gz VNCUMPXZPWPZQE-SECBINFHSA-N -1 0 309.326 -0.135 20 0 DBADRM Cn1nccc1NC(=O)C(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000833964352 605635445 /nfs/dbraw/zinc/63/54/45/605635445.db2.gz XNHBFWNMQJMEKW-IUCAKERBSA-N -1 0 309.326 -0.089 20 0 DBADRM C[C@@H]1CN(C(=O)NCCNC(=O)c2ccn[nH]2)C[C@H]1C(=O)[O-] ZINC000833620409 605636873 /nfs/dbraw/zinc/63/68/73/605636873.db2.gz FXLPYQMSSLLGTB-RKDXNWHRSA-N -1 0 309.326 -0.498 20 0 DBADRM CN(CCCNC(=O)C[C@@H](NC(=O)[O-])C1CC1)S(C)(=O)=O ZINC000833872137 605638364 /nfs/dbraw/zinc/63/83/64/605638364.db2.gz GHNLPUBKCIOFLP-SNVBAGLBSA-N -1 0 321.399 -0.180 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@H](CC(C)C)NC(=O)[O-])CC1 ZINC000828880847 605643270 /nfs/dbraw/zinc/64/32/70/605643270.db2.gz PILDOQYEULPJRZ-NSHDSACASA-N -1 0 315.370 -0.014 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CNC(=O)[O-])[C@@H](C(=O)OC)C1 ZINC000833711014 605648031 /nfs/dbraw/zinc/64/80/31/605648031.db2.gz RLLCROGDBQDLQO-HTQZYQBOSA-N -1 0 302.283 -0.793 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)CNC(=O)[O-] ZINC000833711015 605648185 /nfs/dbraw/zinc/64/81/85/605648185.db2.gz RLLCROGDBQDLQO-JGVFFNPUSA-N -1 0 302.283 -0.793 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN(C)C(=O)OC ZINC000833708267 605651624 /nfs/dbraw/zinc/65/16/24/605651624.db2.gz PRCNLJBAKMLUQX-DTWKUNHWSA-N -1 0 316.310 -0.451 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NC[C@H]2CN3CCN2CC3)C1 ZINC000834166372 605651890 /nfs/dbraw/zinc/65/18/90/605651890.db2.gz DXNMRLAQBCFDEE-XQQFMLRXSA-N -1 0 310.398 -0.071 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)NCCN2C(=O)CCC2=O)C1 ZINC000739424154 605653349 /nfs/dbraw/zinc/65/33/49/605653349.db2.gz WSWIDDOZFILXIG-VIFPVBQESA-N -1 0 312.326 -0.423 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)NCc2nnnn2C2CC2)C1 ZINC000831730431 605656338 /nfs/dbraw/zinc/65/63/38/605656338.db2.gz HLDSUSLFWQNYPU-QMMMGPOBSA-N -1 0 309.330 -0.050 20 0 DBADRM COCCCS(=O)(=O)NCCN1CCN(C(=O)[O-])C[C@H]1C ZINC000828963879 605658040 /nfs/dbraw/zinc/65/80/40/605658040.db2.gz GJOWQJSXHBUIRP-LLVKDONJSA-N -1 0 323.415 -0.374 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)O1 ZINC000831173306 605658418 /nfs/dbraw/zinc/65/84/18/605658418.db2.gz LQGIKPOLJZPOMR-AEJSXWLSSA-N -1 0 314.342 -0.539 20 0 DBADRM O=C([O-])N1CCC[C@@H](CNC(=O)NCC2(CO)COC2)C1 ZINC000834030444 605658942 /nfs/dbraw/zinc/65/89/42/605658942.db2.gz QSKZMDJGCFRUIL-JTQLQIEISA-N -1 0 301.343 -0.316 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)NC[C@@H]1CCCS1(=O)=O ZINC000823986696 605660305 /nfs/dbraw/zinc/66/03/05/605660305.db2.gz WCEFETSVLGDQRK-QMMMGPOBSA-N -1 0 307.372 -0.091 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCn1ccnn1 ZINC000833704029 605663313 /nfs/dbraw/zinc/66/33/13/605663313.db2.gz DQAZPJWCELIHRB-NXEZZACHSA-N -1 0 310.310 -0.467 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000830993674 605663579 /nfs/dbraw/zinc/66/35/79/605663579.db2.gz LUMDRFQJUAOYCT-QWRGUYRKSA-N -1 0 311.342 -0.105 20 0 DBADRM O=C([O-])NCC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000834204014 605663972 /nfs/dbraw/zinc/66/39/72/605663972.db2.gz RSYWBIMVAQKTLG-SECBINFHSA-N -1 0 306.278 -0.357 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000833946303 605665615 /nfs/dbraw/zinc/66/56/15/605665615.db2.gz LPNMRXNFEWFTOH-QWRGUYRKSA-N -1 0 311.342 -0.105 20 0 DBADRM C[S@@](=O)c1cccc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])c1 ZINC000833893307 605668741 /nfs/dbraw/zinc/66/87/41/605668741.db2.gz MIUJURVRDWEHNR-JLTPVHFHSA-N -1 0 313.335 -0.126 20 0 DBADRM NC(=O)[C@H]1COCCN1C(=O)c1ccc(NC(=O)[O-])cc1O ZINC000833981659 605668833 /nfs/dbraw/zinc/66/88/33/605668833.db2.gz WRZOWYAHRBBCME-SECBINFHSA-N -1 0 309.278 -0.192 20 0 DBADRM COCCN(CC(=O)N1CCC(O)(C(=O)OC)CC1)C(=O)[O-] ZINC000833884272 605671367 /nfs/dbraw/zinc/67/13/67/605671367.db2.gz HMGSZBIUWODPFM-UHFFFAOYSA-N -1 0 318.326 -0.861 20 0 DBADRM COC(=O)[C@H]1CCN(CC(=O)Nc2ccncc2)[C@H](C(=O)[O-])C1 ZINC000833705634 605684787 /nfs/dbraw/zinc/68/47/87/605684787.db2.gz DZYONXLHFOTJQI-JQWIXIFHSA-N -1 0 321.333 -0.220 20 0 DBADRM CCNC(=O)NC(=O)CN1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC000833657889 605684972 /nfs/dbraw/zinc/68/49/72/605684972.db2.gz SULDQUSKGTUNMN-BDAKNGLRSA-N -1 0 315.326 -0.830 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2c(O)cccc2O)CC1 ZINC000834018916 605688219 /nfs/dbraw/zinc/68/82/19/605688219.db2.gz KXTDRFXEWPYQDW-UHFFFAOYSA-N -1 0 323.305 -0.350 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCCCc2ccccn2)C(=O)C1 ZINC000831488592 605688763 /nfs/dbraw/zinc/68/87/63/605688763.db2.gz IAEZBGQGJRUKBR-UHFFFAOYSA-N -1 0 320.349 -0.047 20 0 DBADRM CC(C)(CC(=O)[O-])CC(=O)NC[C@H](O)CN1CCOCC1 ZINC000833455272 605698832 /nfs/dbraw/zinc/69/88/32/605698832.db2.gz WAOHWWULVGJIJW-NSHDSACASA-N -1 0 302.371 -0.313 20 0 DBADRM O=C([O-])N(CC(=O)N1CC(n2ccnn2)C1)C[C@H]1CCCO1 ZINC000834069799 605699900 /nfs/dbraw/zinc/69/99/00/605699900.db2.gz XUHDNCPQTWFLTL-LLVKDONJSA-N -1 0 309.326 -0.180 20 0 DBADRM O=C([O-])NC1CCN(CC(=O)N2CC(n3ccnn3)C2)CC1 ZINC000834180990 605700189 /nfs/dbraw/zinc/70/01/89/605700189.db2.gz CGBTYNRIMVVGJB-UHFFFAOYSA-N -1 0 308.342 -0.607 20 0 DBADRM CC[C@@](C)(CNC(=O)[O-])C(=O)NCCN1C(=O)CNC1=O ZINC000833840042 605700499 /nfs/dbraw/zinc/70/04/99/605700499.db2.gz IOKQQKQOFGPPMV-LBPRGKRZSA-N -1 0 300.315 -0.662 20 0 DBADRM CNC(=O)[C@@H](NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C(C)C ZINC000828527285 605705408 /nfs/dbraw/zinc/70/54/08/605705408.db2.gz YFYJQJIUPOSRTP-ONGXEEELSA-N -1 0 301.343 -0.358 20 0 DBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000833838251 605706883 /nfs/dbraw/zinc/70/68/83/605706883.db2.gz CCRPROIZFBCZND-IGJMFERPSA-N -1 0 301.343 -0.181 20 0 DBADRM CC[C@]1(C)COCCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000833843778 605713475 /nfs/dbraw/zinc/71/34/75/605713475.db2.gz CXMJVCZOLNZVDB-CQSZACIVSA-N -1 0 313.354 -0.164 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@H]2CCCN(C(=O)[O-])C2)S1 ZINC000831240018 605717045 /nfs/dbraw/zinc/71/70/45/605717045.db2.gz LLQFXESBRWRUCH-BQBZGAKWSA-N -1 0 300.340 -0.199 20 0 DBADRM CNC(=O)CCCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828538535 605720632 /nfs/dbraw/zinc/72/06/32/605720632.db2.gz YQHIZDRGWGXFPS-SNVBAGLBSA-N -1 0 301.343 -0.212 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NCCN1C(=O)CNC1=O ZINC000823845855 605720665 /nfs/dbraw/zinc/72/06/65/605720665.db2.gz CPAJRZLDLOVVHA-MRVPVSSYSA-N -1 0 300.315 -0.663 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N[C@H](CO)CC(F)(F)F ZINC000834017002 605723615 /nfs/dbraw/zinc/72/36/15/605723615.db2.gz YNXUISVEUHIKJW-LYFYHCNISA-N -1 0 300.233 -0.471 20 0 DBADRM CNc1nc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cs1 ZINC000386184366 605725558 /nfs/dbraw/zinc/72/55/58/605725558.db2.gz PABRWMYCTNDBCU-UHFFFAOYSA-N -1 0 308.323 -0.407 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000736415336 605726220 /nfs/dbraw/zinc/72/62/20/605726220.db2.gz MZLATFHJYHJNGA-ZJUUUORDSA-N -1 0 321.399 -0.181 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H](CO)C1CCCCC1 ZINC000834197533 605726325 /nfs/dbraw/zinc/72/63/25/605726325.db2.gz VDPINUNGCRAPMP-JTQLQIEISA-N -1 0 301.343 -0.572 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000736424583 605731958 /nfs/dbraw/zinc/73/19/58/605731958.db2.gz XRJXIWBJSBRMDE-ISVAXAHUSA-N -1 0 312.326 -0.521 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)[C@]1(C)CCCN1C(=O)[O-] ZINC000833879880 605732619 /nfs/dbraw/zinc/73/26/19/605732619.db2.gz RYYYVMWDEVHKKW-ZDUSSCGKSA-N -1 0 316.310 -0.259 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000834035201 605734158 /nfs/dbraw/zinc/73/41/58/605734158.db2.gz JSZOFYHBHJXRIQ-RYUDHWBXSA-N -1 0 312.370 -0.241 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NCCOC[C@@H]2CCOC2)C1 ZINC000834040245 605734698 /nfs/dbraw/zinc/73/46/98/605734698.db2.gz ADLRFZLAHXVCKJ-SNVBAGLBSA-N -1 0 301.343 -0.052 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NCCCN2CCOC2=O)C1 ZINC000834039565 605735362 /nfs/dbraw/zinc/73/53/62/605735362.db2.gz VAMCURVAILJOTH-UHFFFAOYSA-N -1 0 300.315 -0.262 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCCSCCCO ZINC000831381845 605735734 /nfs/dbraw/zinc/73/57/34/605735734.db2.gz MVDYTWCHIBGPRF-SNVBAGLBSA-N -1 0 306.384 -0.013 20 0 DBADRM CN(C(=O)CN1CCC(NC(=O)[O-])CC1)[C@H]1CCN(C)C1=O ZINC000828466130 605735759 /nfs/dbraw/zinc/73/57/59/605735759.db2.gz LDGNFYJVGFCHOA-NSHDSACASA-N -1 0 312.370 -0.593 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000834043113 605737153 /nfs/dbraw/zinc/73/71/53/605737153.db2.gz PXNFUHBZLFUOIW-UHFFFAOYSA-N -1 0 319.383 -0.280 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CN1C(=O)CN(C)C1=O ZINC000825809711 605739177 /nfs/dbraw/zinc/73/91/77/605739177.db2.gz QCGQEPDJSCJKLX-IUCAKERBSA-N -1 0 312.326 -0.473 20 0 DBADRM O=C([O-])N1CC(OCC(=O)NCC2(CO)CCOCC2)C1 ZINC000834009547 605743319 /nfs/dbraw/zinc/74/33/19/605743319.db2.gz IQHIPWFTRGPBSK-UHFFFAOYSA-N -1 0 302.327 -0.730 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCC1(CO)CCOCC1 ZINC000834021873 605743323 /nfs/dbraw/zinc/74/33/23/605743323.db2.gz LLCZVOSFWAFXJG-UWVGGRQHSA-N -1 0 302.327 -0.995 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)OCC(C)(C)NC(=O)[O-])c2=O ZINC000833962606 605744266 /nfs/dbraw/zinc/74/42/66/605744266.db2.gz ZLRAPFOLEPATAT-UHFFFAOYSA-N -1 0 323.309 -0.281 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1cccc2c1OCO2 ZINC000833981440 605753300 /nfs/dbraw/zinc/75/33/00/605753300.db2.gz FEFWJEQMWMCTSA-MRVPVSSYSA-N -1 0 309.278 -0.457 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000833984142 605754029 /nfs/dbraw/zinc/75/40/29/605754029.db2.gz NBPJWVYXXNYETR-QMMMGPOBSA-N -1 0 322.277 -0.532 20 0 DBADRM Cc1nccn1[C@H]1CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])C1 ZINC000833919201 605755925 /nfs/dbraw/zinc/75/59/25/605755925.db2.gz UISPMFASDLTKAU-WDEREUQCSA-N -1 0 323.353 -0.133 20 0 DBADRM CC(C)c1nnc2n1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])C2 ZINC000833800928 605755950 /nfs/dbraw/zinc/75/59/50/605755950.db2.gz YONKFDMGKOMAIF-MRVPVSSYSA-N -1 0 324.341 -0.745 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000825837766 605756351 /nfs/dbraw/zinc/75/63/51/605756351.db2.gz JKJZIDRRMXGNQV-RKDXNWHRSA-N -1 0 324.337 -0.655 20 0 DBADRM Cn1c2cc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])ccc2oc1=O ZINC000833940811 605756405 /nfs/dbraw/zinc/75/64/05/605756405.db2.gz SBPZIVPQZJWVCO-SSDOTTSWSA-N -1 0 322.277 -0.418 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1cccc2c1OCCO2 ZINC000833983076 605756688 /nfs/dbraw/zinc/75/66/88/605756688.db2.gz QWDBMYJXJQOFMY-SECBINFHSA-N -1 0 323.305 -0.414 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1nc2c(s1)COCC2 ZINC000833983834 605757003 /nfs/dbraw/zinc/75/70/03/605757003.db2.gz KQQKLIQMJYGWJJ-LURJTMIESA-N -1 0 314.323 -0.334 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1nc2c(s1)COCC2 ZINC000833983835 605757059 /nfs/dbraw/zinc/75/70/59/605757059.db2.gz KQQKLIQMJYGWJJ-ZCFIWIBFSA-N -1 0 314.323 -0.334 20 0 DBADRM O=C(CNC(=O)COc1ccccc1)NCC1CN(C(=O)[O-])C1 ZINC000834005784 605757373 /nfs/dbraw/zinc/75/73/73/605757373.db2.gz RPDDHSMFFBLFNE-UHFFFAOYSA-N -1 0 321.333 -0.092 20 0 DBADRM O=C([O-])N1CC(CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000834291000 605759165 /nfs/dbraw/zinc/75/91/65/605759165.db2.gz VUISDDKIWPECND-UHFFFAOYSA-N -1 0 324.337 -0.519 20 0 DBADRM Cn1nccc1C1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])CC1 ZINC000833963056 605759905 /nfs/dbraw/zinc/75/99/05/605759905.db2.gz ISITZAXJIOWTGW-JTQLQIEISA-N -1 0 323.353 -0.362 20 0 DBADRM C[C@]1(CNC(=O)[C@H](CC(N)=O)NC(=O)[O-])CCCC[C@H]1O ZINC000833823635 605761496 /nfs/dbraw/zinc/76/14/96/605761496.db2.gz IOUODKQSOGPFAY-IGJMFERPSA-N -1 0 301.343 -0.445 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCC[C@@H]1CCCCO1 ZINC000834006767 605763855 /nfs/dbraw/zinc/76/38/55/605763855.db2.gz YYPFWUHRJOQHGB-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])NC[C@H]1CCCN1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000834216682 605764875 /nfs/dbraw/zinc/76/48/75/605764875.db2.gz VAIGGRCSBMQHSO-SECBINFHSA-N -1 0 324.341 -0.419 20 0 DBADRM O=C([O-])N1CCCN(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000834042367 605764940 /nfs/dbraw/zinc/76/49/40/605764940.db2.gz SUKYHJKNCQUKAJ-UHFFFAOYSA-N -1 0 324.341 -0.465 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834041710 605764957 /nfs/dbraw/zinc/76/49/57/605764957.db2.gz OPLMUNAACGFGJA-VIFPVBQESA-N -1 0 324.341 -0.419 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NCCCN2CCOCC2)C1 ZINC000834038410 605765262 /nfs/dbraw/zinc/76/52/62/605765262.db2.gz IITFRQNGCZILAJ-UHFFFAOYSA-N -1 0 300.359 -0.382 20 0 DBADRM CN1CCC[C@@H](NC(=O)CN2CCC(NC(=O)[O-])CC2)C1=O ZINC000828480211 605765828 /nfs/dbraw/zinc/76/58/28/605765828.db2.gz FCZATVLOVPCDAO-LLVKDONJSA-N -1 0 312.370 -0.545 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CNC(=O)C1CC1 ZINC000833707029 605768197 /nfs/dbraw/zinc/76/81/97/605768197.db2.gz NIICHXOFUGJCOQ-NXEZZACHSA-N -1 0 312.322 -0.623 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(OCCO)cc1 ZINC000833985268 605772905 /nfs/dbraw/zinc/77/29/05/605772905.db2.gz XDFUSCWISMAYHK-JTQLQIEISA-N -1 0 311.294 -0.492 20 0 DBADRM Cn1ccc(COC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-])n1 ZINC000833952232 605781216 /nfs/dbraw/zinc/78/12/16/605781216.db2.gz DCFBUCNHIIEWBW-VIFPVBQESA-N -1 0 319.339 -0.466 20 0 DBADRM O=C([O-])N1CC(CNC(=O)C(=O)Nc2cnn(CC3CC3)c2)C1 ZINC000834029376 605781345 /nfs/dbraw/zinc/78/13/45/605781345.db2.gz PPJINAUVCLPTEL-UHFFFAOYSA-N -1 0 321.337 -0.042 20 0 DBADRM NC(=O)c1cc(CNC(=O)[C@H]2CSCN2C(=O)[O-])on1 ZINC000831215395 605781988 /nfs/dbraw/zinc/78/19/88/605781988.db2.gz KPVYXDIHSQBONY-SSDOTTSWSA-N -1 0 300.296 -0.557 20 0 DBADRM Cc1nnc(CN(C)CC(=O)NCC2CN(C(=O)[O-])C2)n1C ZINC000833923786 605782302 /nfs/dbraw/zinc/78/23/02/605782302.db2.gz JRUJXOLPYWRICJ-UHFFFAOYSA-N -1 0 310.358 -0.719 20 0 DBADRM Cn1nnnc1CCNC(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833959577 605785156 /nfs/dbraw/zinc/78/51/56/605785156.db2.gz BFTOLVMRDIAZQY-VIFPVBQESA-N -1 0 308.342 -0.351 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000833807693 605788192 /nfs/dbraw/zinc/78/81/92/605788192.db2.gz LTTKXTKDDAWGEQ-RKDXNWHRSA-N -1 0 307.372 -0.376 20 0 DBADRM NC(=O)CSCC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000831194006 605789025 /nfs/dbraw/zinc/78/90/25/605789025.db2.gz DZXGGJSGWSHLAD-SECBINFHSA-N -1 0 301.368 -0.052 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)NCCc1nnnn1C ZINC000833794545 605793888 /nfs/dbraw/zinc/79/38/88/605793888.db2.gz LBTUYELQNHNMTM-SECBINFHSA-N -1 0 313.362 -0.266 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000833810378 605796955 /nfs/dbraw/zinc/79/69/55/605796955.db2.gz YXJOCSSZRILCCA-CIUDSAMLSA-N -1 0 302.331 -0.778 20 0 DBADRM Cn1nnnc1CCNC(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000833960321 605797411 /nfs/dbraw/zinc/79/74/11/605797411.db2.gz IFNLCMXVHDDEPQ-VIFPVBQESA-N -1 0 311.346 -0.416 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CC(=O)N2CCN(C)CC2)CCO1 ZINC000833820718 605805191 /nfs/dbraw/zinc/80/51/91/605805191.db2.gz SJSAGJVMWNYNKH-NWDGAFQWSA-N -1 0 314.386 -0.883 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC000833805229 605805570 /nfs/dbraw/zinc/80/55/70/605805570.db2.gz AHIXRNCKNNMBPO-ZCFIWIBFSA-N -1 0 305.312 -0.440 20 0 DBADRM C[C@@H](CNC(=O)[O-])CNC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000833807680 605807839 /nfs/dbraw/zinc/80/78/39/605807839.db2.gz WMIBOVADURBXED-MRVPVSSYSA-N -1 0 315.351 -0.033 20 0 DBADRM C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N(C)CC(=O)[O-] ZINC000819883103 605808541 /nfs/dbraw/zinc/80/85/41/605808541.db2.gz ONGSNCJWGIBPRG-NSHDSACASA-N -1 0 323.349 -0.031 20 0 DBADRM O=C([O-])NC1(C(=O)N2CCC(C(=O)NCCCO)CC2)CC1 ZINC000832149158 605808902 /nfs/dbraw/zinc/80/89/02/605808902.db2.gz XAHCDWNOXKFREP-UHFFFAOYSA-N -1 0 313.354 -0.476 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)NC[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834148793 605810137 /nfs/dbraw/zinc/81/01/37/605810137.db2.gz XRKYRTYQCCFFLE-WCBMZHEXSA-N -1 0 319.383 -0.234 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)NC[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834148791 605810179 /nfs/dbraw/zinc/81/01/79/605810179.db2.gz XRKYRTYQCCFFLE-SCZZXKLOSA-N -1 0 319.383 -0.234 20 0 DBADRM CNC(=O)NC(=O)COC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000828552177 605817733 /nfs/dbraw/zinc/81/77/33/605817733.db2.gz NBVSRUONVFJODJ-ZETCQYMHSA-N -1 0 319.339 -0.529 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)N[C@@H]1CCN(C(=O)[O-])C1)CC2 ZINC000833927957 605822075 /nfs/dbraw/zinc/82/20/75/605822075.db2.gz PSMTUHHUXAPBLU-NXEZZACHSA-N -1 0 308.342 -0.047 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@@]1(CCO)CCOC1 ZINC000833807118 605823262 /nfs/dbraw/zinc/82/32/62/605823262.db2.gz HSGQENWETMSRJS-GXFFZTMASA-N -1 0 303.359 -0.022 20 0 DBADRM Cc1nnc2n1C[C@@H](NC(=O)N1CCN(C(=O)[O-])CC1)CC2 ZINC000833928344 605823603 /nfs/dbraw/zinc/82/36/03/605823603.db2.gz RIJAWOYUEDPIPO-JTQLQIEISA-N -1 0 308.342 -0.093 20 0 DBADRM C[C@H](OC(=O)c1cc(C(=O)[O-])no1)C(=O)NC(=O)NC1CC1 ZINC000833534115 605824298 /nfs/dbraw/zinc/82/42/98/605824298.db2.gz SZVCFIDVIWQRNP-YFKPBYRVSA-N -1 0 311.250 -0.094 20 0 DBADRM Cc1nnc2n1C[C@@H](NC(=O)N1CC[C@@H](NC(=O)[O-])C1)CC2 ZINC000833929161 605824364 /nfs/dbraw/zinc/82/43/64/605824364.db2.gz XGJNXBHNTJWXRH-VHSXEESVSA-N -1 0 308.342 -0.047 20 0 DBADRM O=C([O-])N1CC(CNC(=O)N2CCN3C(=O)OCC[C@@H]3C2)C1 ZINC000834068768 605826181 /nfs/dbraw/zinc/82/61/81/605826181.db2.gz YIGIZAUOQHZDEJ-SNVBAGLBSA-N -1 0 312.326 -0.168 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000827513646 605831444 /nfs/dbraw/zinc/83/14/44/605831444.db2.gz CJRDIRMAQWERSG-NSHDSACASA-N -1 0 315.370 -0.230 20 0 DBADRM Cn1nnnc1CCNC(=O)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833961129 605844323 /nfs/dbraw/zinc/84/43/23/605844323.db2.gz QPANSKGZQXBSTL-NSHDSACASA-N -1 0 304.310 -0.122 20 0 DBADRM O=C([O-])NC1(C(=O)NCCNC(=O)c2ccn[nH]2)CCCC1 ZINC000834150976 605852901 /nfs/dbraw/zinc/85/29/01/605852901.db2.gz IFVFXRTVSXWWKJ-UHFFFAOYSA-N -1 0 309.326 -0.164 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000834171839 605853049 /nfs/dbraw/zinc/85/30/49/605853049.db2.gz GSZKNBIZCFWBOI-IUCAKERBSA-N -1 0 309.326 -0.308 20 0 DBADRM NC(=O)CNC(=S)N1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833984278 605856335 /nfs/dbraw/zinc/85/63/35/605856335.db2.gz AWDNPMXCNZGQFN-UHFFFAOYSA-N -1 0 300.384 -0.188 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NCCN2CCNC(=O)C2)C1 ZINC000834168677 605860588 /nfs/dbraw/zinc/86/05/88/605860588.db2.gz PXNFGBXQUVDLLX-GHMZBOCLSA-N -1 0 312.370 -0.639 20 0 DBADRM O=C(CC[C@@H]1CCCN1C(=O)[O-])NCCN1CCNC(=O)C1 ZINC000833996414 605860728 /nfs/dbraw/zinc/86/07/28/605860728.db2.gz NMGXLTURPSKTGE-NSHDSACASA-N -1 0 312.370 -0.543 20 0 DBADRM O=C([O-])Nc1ccccc1CC(=O)NCCN1CCNC(=O)C1 ZINC000834274136 605860730 /nfs/dbraw/zinc/86/07/30/605860730.db2.gz SQJGNCUWORAPDD-UHFFFAOYSA-N -1 0 320.349 -0.133 20 0 DBADRM O=C([O-])N(CC(=O)N1CCO[C@H](CO)C1)C[C@@H]1CCCO1 ZINC000831821124 605877260 /nfs/dbraw/zinc/87/72/60/605877260.db2.gz OVKSJDCIKGVGSZ-QWRGUYRKSA-N -1 0 302.327 -0.635 20 0 DBADRM Cc1c[nH]cc(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1=O ZINC000833911912 605878414 /nfs/dbraw/zinc/87/84/14/605878414.db2.gz HXRZKJMDUKSEIU-UHFFFAOYSA-N -1 0 322.321 -0.765 20 0 DBADRM C[C@H](CC(=O)N1CCCC[C@@H]1CS(N)(=O)=O)NC(=O)[O-] ZINC000824583576 605879832 /nfs/dbraw/zinc/87/98/32/605879832.db2.gz UXTLBTUAVJFKLX-RKDXNWHRSA-N -1 0 307.372 -0.298 20 0 DBADRM Cc1c[nH]cc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])c1=O ZINC000833912410 605880817 /nfs/dbraw/zinc/88/08/17/605880817.db2.gz NPLIOHDMBXAJSY-JTQLQIEISA-N -1 0 308.338 -0.293 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833397767 605882643 /nfs/dbraw/zinc/88/26/43/605882643.db2.gz ZDJQNAWXZCKNIN-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM Cn1cccc(NC(=O)C(=O)NC[C@H](NC(=O)[O-])C2CC2)c1=O ZINC000833953501 605890308 /nfs/dbraw/zinc/89/03/08/605890308.db2.gz YDYUXWSUQPLQBD-JTQLQIEISA-N -1 0 322.321 -0.514 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2cccc(F)n2)CC1 ZINC000834018085 605897468 /nfs/dbraw/zinc/89/74/68/605897468.db2.gz FYHRJTAUJZNNPI-UHFFFAOYSA-N -1 0 310.285 -0.227 20 0 DBADRM NC(=O)CN1CCN(C(=O)[C@H]2CC23CCN(C(=O)[O-])CC3)CC1 ZINC000833984518 605901604 /nfs/dbraw/zinc/90/16/04/605901604.db2.gz FIGGPFAEROARAJ-LLVKDONJSA-N -1 0 324.381 -0.604 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000834037146 605902588 /nfs/dbraw/zinc/90/25/88/605902588.db2.gz LSLKZAMMEGAVIS-HBNTYKKESA-N -1 0 314.338 -0.099 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000834037148 605902783 /nfs/dbraw/zinc/90/27/83/605902783.db2.gz LSLKZAMMEGAVIS-MXWKQRLJSA-N -1 0 314.338 -0.099 20 0 DBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)c1cc(C(=O)[O-])no1 ZINC000833689615 605905229 /nfs/dbraw/zinc/90/52/29/605905229.db2.gz KXRUDPMIEJYSAY-UHFFFAOYSA-N -1 0 321.311 -0.732 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)CCCN1C(=O)CNC1=O)C1CC1 ZINC000834140366 605912483 /nfs/dbraw/zinc/91/24/83/605912483.db2.gz NPMVMONSORWNNS-VIFPVBQESA-N -1 0 312.326 -0.519 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NC[C@@H](NC(=O)[O-])C(C)C)CCO1 ZINC000833876084 605916499 /nfs/dbraw/zinc/91/64/99/605916499.db2.gz DVCPCGPQIGZFGL-NXEZZACHSA-N -1 0 316.358 -0.565 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCCN(C(=O)[O-])C2CC2)ccc1=O ZINC000833949133 605920359 /nfs/dbraw/zinc/92/03/59/605920359.db2.gz GFWMUSNRTUJRST-UHFFFAOYSA-N -1 0 322.321 -0.418 20 0 DBADRM Cn1c(NC[C@H](NC(=O)[O-])C2CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000833941757 605921262 /nfs/dbraw/zinc/92/12/62/605921262.db2.gz GALCEXPELZGMDQ-ZETCQYMHSA-N -1 0 322.325 -0.169 20 0 DBADRM O=C([O-])N1CCC2(C[C@@H]2C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000834040869 605927443 /nfs/dbraw/zinc/92/74/43/605927443.db2.gz FGQUPXBFJNDXKK-SECBINFHSA-N -1 0 324.337 -0.566 20 0 DBADRM COCCN(CC(=O)N1CCN2C(=O)OCC[C@@H]2C1)C(=O)[O-] ZINC000833884096 605927498 /nfs/dbraw/zinc/92/74/98/605927498.db2.gz BPKFYKXDOWGDKM-SNVBAGLBSA-N -1 0 315.326 -0.334 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)C2(CNC(=O)[O-])CCCC2)CCO1 ZINC000833877057 605929779 /nfs/dbraw/zinc/92/97/79/605929779.db2.gz KMHAOGMLMNLGFI-SNVBAGLBSA-N -1 0 313.354 -0.212 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000833879114 605931215 /nfs/dbraw/zinc/93/12/15/605931215.db2.gz WYOOADYXWOCCTC-PELKAZGASA-N -1 0 303.290 -0.948 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)[C@]2(C)CCCCN2C(=O)[O-])CCO1 ZINC000833875744 605936149 /nfs/dbraw/zinc/93/61/49/605936149.db2.gz ALFZYKASADZLOQ-YGRLFVJLSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1 ZINC000834140035 605936850 /nfs/dbraw/zinc/93/68/50/605936850.db2.gz MZDJYHSCLOPECH-UWVGGRQHSA-N -1 0 320.305 -0.290 20 0 DBADRM Cn1cnc2cc(NC(=O)C(=O)NC3CN(C(=O)[O-])C3)ccc21 ZINC000833958808 605940626 /nfs/dbraw/zinc/94/06/26/605940626.db2.gz LFBXKWGTJRBUHY-UHFFFAOYSA-N -1 0 317.305 -0.010 20 0 DBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000833769688 605940759 /nfs/dbraw/zinc/94/07/59/605940759.db2.gz GUEHBOFMLFMIRG-UHFFFAOYSA-N -1 0 303.278 -0.020 20 0 DBADRM COCCN(CC(=O)N[C@H]1CCN(C(C)=O)C[C@@H]1C)C(=O)[O-] ZINC000833884263 605943690 /nfs/dbraw/zinc/94/36/90/605943690.db2.gz HGXQPOUUZYKMNH-JQWIXIFHSA-N -1 0 315.370 -0.014 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CC[C@H](NC(=O)[O-])C2)C[C@@H](C)O1 ZINC000739186703 605944419 /nfs/dbraw/zinc/94/44/19/605944419.db2.gz BKVLXOVFTWVNHP-BBBLOLIVSA-N -1 0 307.372 -0.318 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](NC(=O)[O-])C2)o1 ZINC000739752335 605950014 /nfs/dbraw/zinc/95/00/14/605950014.db2.gz KQZVNYICQWMHEE-ZETCQYMHSA-N -1 0 317.323 -0.330 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)Nc1n[nH]c(SCCO)n1 ZINC000834012335 605952026 /nfs/dbraw/zinc/95/20/26/605952026.db2.gz ZQQTXFHQBLDMGA-UHFFFAOYSA-N -1 0 317.327 -0.794 20 0 DBADRM COC(=O)CCN1CCN(C(=O)CCNC(=O)[O-])[C@H](C)C1 ZINC000833878557 605956729 /nfs/dbraw/zinc/95/67/29/605956729.db2.gz HHRIUACLTSXMAR-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)C2(O)CCSCC2)CC1 ZINC000834113390 605959114 /nfs/dbraw/zinc/95/91/14/605959114.db2.gz UXXDPUKOBQMDER-UHFFFAOYSA-N -1 0 317.411 -0.344 20 0 DBADRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000832139874 605959709 /nfs/dbraw/zinc/95/97/09/605959709.db2.gz DBTAWKGUAMCCQK-GHMZBOCLSA-N -1 0 319.317 -0.213 20 0 DBADRM NC(=O)C[C@H](NC(=O)CN(C(=O)[O-])C1CC1)C1CCOCC1 ZINC000833980165 605970514 /nfs/dbraw/zinc/97/05/14/605970514.db2.gz KCVMLVREBLCOII-NSHDSACASA-N -1 0 313.354 -0.084 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)CO)CC2)C1 ZINC000834170263 605971622 /nfs/dbraw/zinc/97/16/22/605971622.db2.gz YGBRGGAEVDLYPZ-WDEREUQCSA-N -1 0 313.354 -0.524 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)CO)CC2)C1 ZINC000834170258 605971639 /nfs/dbraw/zinc/97/16/39/605971639.db2.gz YGBRGGAEVDLYPZ-MNOVXSKESA-N -1 0 313.354 -0.524 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@@H](C)NC(=O)[O-])[C@@H](C)C1 ZINC000833880125 605976222 /nfs/dbraw/zinc/97/62/22/605976222.db2.gz TXUISGHROKWMFA-VHSXEESVSA-N -1 0 301.343 -0.262 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC(Cn3ccnn3)CC2)C1 ZINC000834118710 605976815 /nfs/dbraw/zinc/97/68/15/605976815.db2.gz ZJQCHHMFZBVQKT-GFCCVEGCSA-N -1 0 323.353 -0.105 20 0 DBADRM O=C(COC(=O)CN(C(=O)[O-])C1CC1)NC[C@@H]1CCCO1 ZINC000834008753 605980655 /nfs/dbraw/zinc/98/06/55/605980655.db2.gz UWQIZIYPASVIHD-JTQLQIEISA-N -1 0 300.311 -0.033 20 0 DBADRM COCCN(CC(=O)N[C@@H](CO)C1CCOCC1)C(=O)[O-] ZINC000833884342 605981112 /nfs/dbraw/zinc/98/11/12/605981112.db2.gz JGZFSNDHFIYTON-NSHDSACASA-N -1 0 304.343 -0.484 20 0 DBADRM O=C([O-])N1CCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000834289629 605983335 /nfs/dbraw/zinc/98/33/35/605983335.db2.gz NCJDXOMAPHYSEM-UHFFFAOYSA-N -1 0 310.310 -0.022 20 0 DBADRM O=C(CN(C(=O)[O-])C1CC1)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000834000580 605985551 /nfs/dbraw/zinc/98/55/51/605985551.db2.gz XVNSXMBNSYRTHG-XLKFXECMSA-N -1 0 324.337 -0.377 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CCC(CCCO)CC1 ZINC000833978987 605988830 /nfs/dbraw/zinc/98/88/30/605988830.db2.gz AVAKNLNNNQPITO-JTQLQIEISA-N -1 0 301.343 -0.491 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(CCCO)CC1 ZINC000834193842 605989320 /nfs/dbraw/zinc/98/93/20/605989320.db2.gz QVRABRKYSZMMQC-UHFFFAOYSA-N -1 0 301.343 -0.619 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)N[C@H]1CN(c2ccccc2)C1=O ZINC000834009015 605989706 /nfs/dbraw/zinc/98/97/06/605989706.db2.gz AMXWJZDEADYBRB-LBPRGKRZSA-N -1 0 319.317 -0.103 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)N[C@@H]1CN(c2ccccc2)C1=O ZINC000834009014 605989848 /nfs/dbraw/zinc/98/98/48/605989848.db2.gz AMXWJZDEADYBRB-GFCCVEGCSA-N -1 0 319.317 -0.103 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCC(N3CCCC3=O)CC2)C1 ZINC000834156581 605994531 /nfs/dbraw/zinc/99/45/31/605994531.db2.gz ARKGPCMKKYNEID-LLVKDONJSA-N -1 0 324.381 -0.101 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCC[C@H](N3CCCC3=O)C2)C1 ZINC000834157654 605994567 /nfs/dbraw/zinc/99/45/67/605994567.db2.gz KLWIZWHWHUCCLK-RYUDHWBXSA-N -1 0 324.381 -0.101 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCC[C@H](N3CCCC3=O)C2)C1 ZINC000834157652 605994652 /nfs/dbraw/zinc/99/46/52/605994652.db2.gz KLWIZWHWHUCCLK-NEPJUHHUSA-N -1 0 324.381 -0.101 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCC(N3CCCC3=O)CC2)C1 ZINC000834156583 605994674 /nfs/dbraw/zinc/99/46/74/605994674.db2.gz ARKGPCMKKYNEID-NSHDSACASA-N -1 0 324.381 -0.101 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCC[C@@H]2Cn2cncn2)C1 ZINC000834157176 605995931 /nfs/dbraw/zinc/99/59/31/605995931.db2.gz HOECAJMZHAVZDB-WDEREUQCSA-N -1 0 308.342 -0.432 20 0 DBADRM Cn1cc(/C=C\C(=O)N2CCCN2C(=O)[O-])c(=O)n(C)c1=O ZINC000833947198 605996004 /nfs/dbraw/zinc/99/60/04/605996004.db2.gz LYYDZOLSBFFHDV-PLNGDYQASA-N -1 0 308.294 -0.776 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1 ZINC000834160016 605996450 /nfs/dbraw/zinc/99/64/50/605996450.db2.gz RIODUPCRLQGXKF-RYUDHWBXSA-N -1 0 323.353 -0.590 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCC[C@@H](C3OCCO3)C2)C1 ZINC000834158239 605996512 /nfs/dbraw/zinc/99/65/12/605996512.db2.gz PMZOULDYZQXPMQ-GHMZBOCLSA-N -1 0 313.354 -0.103 20 0 DBADRM O=C([O-])NCCCNC(=O)CCC(=O)N1CCC(O)CC1 ZINC000834238708 605997325 /nfs/dbraw/zinc/99/73/25/605997325.db2.gz WJNYLHMCLROJIN-UHFFFAOYSA-N -1 0 301.343 -0.476 20 0 DBADRM O=C([O-])N1CCN(C(=O)CCC(=O)N2CCC(O)CC2)CC1 ZINC000834114819 605997408 /nfs/dbraw/zinc/99/74/08/605997408.db2.gz GMSJQIAMAFJXMO-UHFFFAOYSA-N -1 0 313.354 -0.428 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)C1CC1 ZINC000834211017 605998602 /nfs/dbraw/zinc/99/86/02/605998602.db2.gz UZQSVOVRRNIKFH-JTQLQIEISA-N -1 0 312.326 -0.881 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000834278511 606000461 /nfs/dbraw/zinc/00/04/61/606000461.db2.gz CCWXBAUVTFOFEM-ZETCQYMHSA-N -1 0 314.323 -0.269 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCCCCCCO)C(=O)C1 ZINC000834004774 606000521 /nfs/dbraw/zinc/00/05/21/606000521.db2.gz GLDFXLYMKAYKDK-UHFFFAOYSA-N -1 0 301.343 -0.523 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)OCCN2C(=O)CNC2=O)cn1 ZINC000834279153 606009617 /nfs/dbraw/zinc/00/96/17/606009617.db2.gz RKBPNODEUZALJB-UHFFFAOYSA-N -1 0 309.238 -0.725 20 0 DBADRM NC(=O)C1(CNC(=O)[C@@H](CC(F)F)NC(=O)[O-])CCOCC1 ZINC000833980540 606011536 /nfs/dbraw/zinc/01/15/36/606011536.db2.gz KTKZKHHOFXVOIE-SSDOTTSWSA-N -1 0 323.296 -0.324 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NCC(=O)N1CCOCC1 ZINC000833807403 606016115 /nfs/dbraw/zinc/01/61/15/606016115.db2.gz JUKZPTAOMUTEIZ-VIFPVBQESA-N -1 0 302.331 -0.952 20 0 DBADRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCCCS(N)(=O)=O ZINC000833827155 606018076 /nfs/dbraw/zinc/01/80/76/606018076.db2.gz VWRBQLFJSABLJV-SKDRFNHKSA-N -1 0 321.399 -0.002 20 0 DBADRM NS(=O)(=O)CCCNC(=O)[C@@H](CC(F)F)NC(=O)[O-] ZINC000833986038 606018499 /nfs/dbraw/zinc/01/84/99/606018499.db2.gz FUWPCLIEFBANLS-RXMQYKEDSA-N -1 0 303.287 -0.927 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)NCC(=O)N1CCOCC1 ZINC000834133030 606021775 /nfs/dbraw/zinc/02/17/75/606021775.db2.gz NBYHBILUVMNNEX-SSDOTTSWSA-N -1 0 309.269 -0.747 20 0 DBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000834127619 606028803 /nfs/dbraw/zinc/02/88/03/606028803.db2.gz ICROLBZXJYZWRT-BQBZGAKWSA-N -1 0 319.264 -0.316 20 0 DBADRM O=C([O-])N1CCC[C@@H](OCC(=O)NC[C@@]2(O)CCOC2)C1 ZINC000834011610 606034718 /nfs/dbraw/zinc/03/47/18/606034718.db2.gz YVCUFFKLWMZZQS-MFKMUULPSA-N -1 0 302.327 -0.587 20 0 DBADRM O=C([O-])N(CC(=O)NC[C@@]1(O)CCOC1)C[C@H]1CCCO1 ZINC000834006139 606035034 /nfs/dbraw/zinc/03/50/34/606035034.db2.gz IYOKITUNBMYRGI-MFKMUULPSA-N -1 0 302.327 -0.587 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)NCCCN2C(=O)CCC2=O)cn1 ZINC000834279391 606056394 /nfs/dbraw/zinc/05/63/94/606056394.db2.gz IWYOBKYHIQAUKM-UHFFFAOYSA-N -1 0 321.293 -0.165 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833837683 606056582 /nfs/dbraw/zinc/05/65/82/606056582.db2.gz KAWGSJKHJHDFSR-SSDOTTSWSA-N -1 0 314.323 -0.174 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NC2CCC(CO)CC2)C(=O)C1 ZINC000834004846 606066844 /nfs/dbraw/zinc/06/68/44/606066844.db2.gz JAUSZPAPFNMOMS-UHFFFAOYSA-N -1 0 313.354 -0.524 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H](CC(F)F)NC(=O)[O-])O1 ZINC000833982470 606069533 /nfs/dbraw/zinc/06/95/33/606069533.db2.gz WDOBRVNGKLLZBF-XVMARJQXSA-N -1 0 309.269 -0.573 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000834134500 606073551 /nfs/dbraw/zinc/07/35/51/606073551.db2.gz TVSNFSANMHORGN-NKWVEPMBSA-N -1 0 307.253 -0.059 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000834133335 606075315 /nfs/dbraw/zinc/07/53/15/606075315.db2.gz OWMHCJDRRJRCEZ-NKWVEPMBSA-N -1 0 314.310 -0.029 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000834030125 606077347 /nfs/dbraw/zinc/07/73/47/606077347.db2.gz HRZISUOTMAGGAA-SNVBAGLBSA-N -1 0 319.383 -0.137 20 0 DBADRM C[C@@H](CCNS(=O)(=O)N1CCOC(C)(C)C1)NC(=O)[O-] ZINC000833804871 606082082 /nfs/dbraw/zinc/08/20/82/606082082.db2.gz JFSHAFLQWKFYBN-VIFPVBQESA-N -1 0 309.388 -0.022 20 0 DBADRM Cn1ccnc1[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000833954333 606083401 /nfs/dbraw/zinc/08/34/01/606083401.db2.gz HSLQVWWUDQAUTJ-GMTAPVOTSA-N -1 0 308.338 -0.151 20 0 DBADRM O=C([O-])NCCCNC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000834238106 606086072 /nfs/dbraw/zinc/08/60/72/606086072.db2.gz OKVXTDZXMYUJEH-JTQLQIEISA-N -1 0 317.342 -0.135 20 0 DBADRM O=C([O-])NCCOCC(=O)NCC1CCS(=O)(=O)CC1 ZINC000834241966 606087193 /nfs/dbraw/zinc/08/71/93/606087193.db2.gz AYFWQQFUHLIEAU-UHFFFAOYSA-N -1 0 308.356 -0.788 20 0 DBADRM NC(=O)[C@@H]1CCC[C@H](NC(=O)CCOC2CN(C(=O)[O-])C2)C1 ZINC000833979967 606090628 /nfs/dbraw/zinc/09/06/28/606090628.db2.gz GPXHNFSGVNQILL-ZJUUUORDSA-N -1 0 313.354 -0.084 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](NC(=O)CCOC2CN(C(=O)[O-])C2)C1 ZINC000833979964 606090648 /nfs/dbraw/zinc/09/06/48/606090648.db2.gz GPXHNFSGVNQILL-NXEZZACHSA-N -1 0 313.354 -0.084 20 0 DBADRM COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NCCC(=O)[O-] ZINC000821700232 606101713 /nfs/dbraw/zinc/10/17/13/606101713.db2.gz HUXIGNFPWDKLRF-UHFFFAOYSA-N -1 0 321.293 -0.155 20 0 DBADRM O=C(CCOC1CN(C(=O)[O-])C1)OCCN1CCNC1=O ZINC000833994447 606111075 /nfs/dbraw/zinc/11/10/75/606111075.db2.gz SMILLESCBWPDAU-UHFFFAOYSA-N -1 0 301.299 -0.676 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1ccc(-c2nn[nH]n2)cn1 ZINC000823196445 606290893 /nfs/dbraw/zinc/29/08/93/606290893.db2.gz FUNGIQSIFHYYFE-UHFFFAOYSA-N -1 0 315.297 -0.552 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCCC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823144691 606322799 /nfs/dbraw/zinc/32/27/99/606322799.db2.gz KICFZFJWENAIRV-UHFFFAOYSA-N -1 0 314.313 -0.093 20 0 DBADRM CCC[C@H]1C[C@@H]1Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821034827 606420163 /nfs/dbraw/zinc/42/01/63/606420163.db2.gz UXFXQGRHZSJXNA-YUMQZZPRSA-N -1 0 305.342 -0.135 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1cc(-c2nn[nH]n2)cn1C)C1CC1 ZINC000821640138 606522213 /nfs/dbraw/zinc/52/22/13/606522213.db2.gz BMYDJUWCUUWUBB-JTQLQIEISA-N -1 0 304.310 -0.113 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2cncn2C)c1 ZINC000821667171 606589023 /nfs/dbraw/zinc/58/90/23/606589023.db2.gz XZVCYFUIRIAFIB-UHFFFAOYSA-N -1 0 315.293 -0.403 20 0 DBADRM Cc1cc(NC(=O)Cn2cccc(-c3nnn[n-]3)c2=O)n(C)n1 ZINC000822208210 606638069 /nfs/dbraw/zinc/63/80/69/606638069.db2.gz GYPFJCYDJHKMMJ-UHFFFAOYSA-N -1 0 314.309 -0.291 20 0 DBADRM CCOC(=O)COCCn1nc(C)c(C)c(-c2nnn[n-]2)c1=O ZINC000821330365 606703604 /nfs/dbraw/zinc/70/36/04/606703604.db2.gz IZEKSCKBSSJBHR-UHFFFAOYSA-N -1 0 322.325 -0.380 20 0 DBADRM Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2cncc(F)c2)n1 ZINC000822623484 606710031 /nfs/dbraw/zinc/71/00/31/606710031.db2.gz XYAVRGQMGWZPJE-UHFFFAOYSA-N -1 0 324.301 -0.065 20 0 DBADRM Cn1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)n1 ZINC000822690349 606711993 /nfs/dbraw/zinc/71/19/93/606711993.db2.gz WVNVVIUZSXZYRR-UHFFFAOYSA-N -1 0 309.315 -0.866 20 0 DBADRM CC(C)[C@@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000820044932 606725629 /nfs/dbraw/zinc/72/56/29/606725629.db2.gz JFQMNFGUPCXKOE-SECBINFHSA-N -1 0 319.369 -0.254 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@H]2CCCS2)n(C)c1=O ZINC000822600406 606800067 /nfs/dbraw/zinc/80/00/67/606800067.db2.gz NKGDTKOMYDMXSV-SSDOTTSWSA-N -1 0 323.382 -0.428 20 0 DBADRM CCc1nn(CC(=O)N(C)OC)c(=O)c(-c2nnn[n-]2)c1CC ZINC000821517473 606866931 /nfs/dbraw/zinc/86/69/31/606866931.db2.gz JHGRORFDVYVZJN-UHFFFAOYSA-N -1 0 321.341 -0.432 20 0 DBADRM CCC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1nnn[n-]1 ZINC000821020659 606912524 /nfs/dbraw/zinc/91/25/24/606912524.db2.gz GGQYHBGSGPOZKC-SSDOTTSWSA-N -1 0 302.302 -0.021 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCOCC(F)(F)F ZINC000823130980 607206737 /nfs/dbraw/zinc/20/67/37/607206737.db2.gz AHROVCLEPLJYTC-UHFFFAOYSA-N -1 0 320.235 -0.847 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nn1cnc2ccccc21 ZINC000823136032 607206778 /nfs/dbraw/zinc/20/67/78/607206778.db2.gz GSHALCXJXPLIJO-UHFFFAOYSA-N -1 0 310.281 -0.422 20 0 DBADRM Cc1ccc(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)o1 ZINC000822236227 607208316 /nfs/dbraw/zinc/20/83/16/607208316.db2.gz PIASFZQNERCNTL-UHFFFAOYSA-N -1 0 302.298 -0.281 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCSC(F)(F)F ZINC000823131297 607208499 /nfs/dbraw/zinc/20/84/99/607208499.db2.gz FNULFFSIHPDDEQ-UHFFFAOYSA-N -1 0 322.276 -0.173 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC000821461143 607211533 /nfs/dbraw/zinc/21/15/33/607211533.db2.gz KIHYYSHMWTZPLN-CBAPKCEASA-N -1 0 322.329 -0.838 20 0 DBADRM CCCN(CC(F)F)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821094983 607211988 /nfs/dbraw/zinc/21/19/88/607211988.db2.gz VXTKQGRCUJGHAI-UHFFFAOYSA-N -1 0 300.273 -0.038 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1nc2ccccc2[nH]1 ZINC000823131964 607216226 /nfs/dbraw/zinc/21/62/26/607216226.db2.gz SLADTRHIUYVRBJ-UHFFFAOYSA-N -1 0 324.308 -0.349 20 0 DBADRM COC(=O)CCC(C)(C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821660136 607216902 /nfs/dbraw/zinc/21/69/02/607216902.db2.gz HCAIQBUTZAGQST-UHFFFAOYSA-N -1 0 322.329 -0.694 20 0 DBADRM CC(C)(C)C[C@H](O)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000819906027 607217979 /nfs/dbraw/zinc/21/79/79/607217979.db2.gz ALNTUZFYOKBCGK-QMMMGPOBSA-N -1 0 308.346 -0.629 20 0 DBADRM CC1(C)[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@@H]2CCO[C@@H]21 ZINC000820583387 607218917 /nfs/dbraw/zinc/21/89/17/607218917.db2.gz CTJGEANXZFUXOU-SFGNSQDASA-N -1 0 318.341 -0.612 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1CCCC[C@@H]1O ZINC000823127049 607219034 /nfs/dbraw/zinc/21/90/34/607219034.db2.gz RIPBQGKBQGNOKQ-IUCAKERBSA-N -1 0 306.330 -0.875 20 0 DBADRM CCCn1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cn1 ZINC000821147041 607220225 /nfs/dbraw/zinc/22/02/25/607220225.db2.gz DQBORANPCAWTDO-UHFFFAOYSA-N -1 0 302.302 -0.297 20 0 DBADRM CO[C@]1(C)C[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1(C)C ZINC000821678348 607220909 /nfs/dbraw/zinc/22/09/09/607220909.db2.gz MRKDVGYYGZCPHI-AMIZOPFISA-N -1 0 320.357 -0.222 20 0 DBADRM C[C@@]1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCC[C@H]1O ZINC000820613183 607221118 /nfs/dbraw/zinc/22/11/18/607221118.db2.gz VVKJONHVYTURQW-RNCFNFMXSA-N -1 0 320.357 -0.484 20 0 DBADRM C[C@]1(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCC[C@@H]1O ZINC000820613184 607221139 /nfs/dbraw/zinc/22/11/39/607221139.db2.gz VVKJONHVYTURQW-TVQRCGJNSA-N -1 0 320.357 -0.484 20 0 DBADRM CC1(C)CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCS1 ZINC000820602018 607221832 /nfs/dbraw/zinc/22/18/32/607221832.db2.gz YMWYQDIBFSNMQN-UHFFFAOYSA-N -1 0 308.371 -0.188 20 0 DBADRM CCN(Cc1ccccn1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821230126 607222190 /nfs/dbraw/zinc/22/21/90/607222190.db2.gz CHUCYDLYZOPOMA-UHFFFAOYSA-N -1 0 313.325 -0.098 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000823266361 607234632 /nfs/dbraw/zinc/23/46/32/607234632.db2.gz UVVGWCOZZOUICE-UHFFFAOYSA-N -1 0 321.688 -0.331 20 0 DBADRM CC(C)C1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000824225114 607810894 /nfs/dbraw/zinc/81/08/94/607810894.db2.gz RXDKOYJSFVWMRU-UHFFFAOYSA-N -1 0 305.342 -0.644 20 0 DBADRM CC[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC000825135167 607912855 /nfs/dbraw/zinc/91/28/55/607912855.db2.gz ZSLTXHYOEPDOTI-BDAKNGLRSA-N -1 0 306.330 -0.468 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000825897856 608010070 /nfs/dbraw/zinc/01/00/70/608010070.db2.gz OQIUJPCFGNAEOB-UHFFFAOYSA-N -1 0 315.286 -0.289 20 0 DBADRM O=C([O-])CCNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000826461477 608010872 /nfs/dbraw/zinc/01/08/72/608010872.db2.gz WNCDZTGZUVTIEJ-UHFFFAOYSA-N -1 0 315.286 -0.241 20 0 DBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826460992 608010885 /nfs/dbraw/zinc/01/08/85/608010885.db2.gz ARBGQSFFNORKNO-VIFPVBQESA-N -1 0 323.334 -0.038 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N[C@H](C)C(=O)[O-] ZINC000826279366 608011597 /nfs/dbraw/zinc/01/15/97/608011597.db2.gz OFPWCHAXTLHAHF-SSDOTTSWSA-N -1 0 311.323 -0.073 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccnc(Cl)c2)c1=O ZINC000826357167 608096074 /nfs/dbraw/zinc/09/60/74/608096074.db2.gz UGAQVZOLCZSZNB-UHFFFAOYSA-N -1 0 319.712 -0.176 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccc(Cl)nc2)c1=O ZINC000826356834 608096569 /nfs/dbraw/zinc/09/65/69/608096569.db2.gz HXKIEZUOTXRDDM-UHFFFAOYSA-N -1 0 319.712 -0.176 20 0 DBADRM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1[nH]c(O)nc1O ZINC000826278019 608120822 /nfs/dbraw/zinc/12/08/22/608120822.db2.gz OUOYGGWOYDMOES-VIFPVBQESA-N -1 0 315.293 -0.288 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826437309 608169714 /nfs/dbraw/zinc/16/97/14/608169714.db2.gz GDSYZRZGWDLOFY-UHFFFAOYSA-N -1 0 303.286 -0.619 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2cnoc2C2CC2)c1=O ZINC000826357046 608291994 /nfs/dbraw/zinc/29/19/94/608291994.db2.gz OZJOJSCFGCPERV-UHFFFAOYSA-N -1 0 315.293 -0.359 20 0 DBADRM CC1(C)C[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C(C)(C)O1 ZINC000824790164 609397663 /nfs/dbraw/zinc/39/76/63/609397663.db2.gz KXNKSXFDBZVEAZ-MRVPVSSYSA-N -1 0 320.357 -0.080 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccc(CO)cc2)c1=O ZINC000826357047 609419065 /nfs/dbraw/zinc/41/90/65/609419065.db2.gz OZQFQCURGNAKOA-UHFFFAOYSA-N -1 0 314.305 -0.732 20 0 DBADRM O=C([N-]N1CN=NC1=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826461470 609436055 /nfs/dbraw/zinc/43/60/55/609436055.db2.gz WHTWEQOUSVOEDM-UHFFFAOYSA-N -1 0 308.208 -0.174 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCCC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826428532 609463998 /nfs/dbraw/zinc/46/39/98/609463998.db2.gz DSBZTKCZQPNDNF-UHFFFAOYSA-N -1 0 314.313 -0.093 20 0 DBADRM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000976933330 665410191 /nfs/dbraw/zinc/41/01/91/665410191.db2.gz UCQXZSMKVJRGIH-MBTKJCJQSA-N -1 0 321.337 -0.938 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001027474302 665437981 /nfs/dbraw/zinc/43/79/81/665437981.db2.gz ACTAIUDOVJNISD-QMMMGPOBSA-N -1 0 306.330 -0.635 20 0 DBADRM CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000977164039 665442057 /nfs/dbraw/zinc/44/20/57/665442057.db2.gz DYCQVZDXDIIBHG-MBTKJCJQSA-N -1 0 323.353 -0.692 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ccncn1 ZINC000977363489 665463273 /nfs/dbraw/zinc/46/32/73/665463273.db2.gz HWYYNQSSIWNFDS-JTQLQIEISA-N -1 0 317.353 -0.059 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cc1ncc[nH]1 ZINC000977383427 665464114 /nfs/dbraw/zinc/46/41/14/665464114.db2.gz AABRJYWTCCBUMI-VIFPVBQESA-N -1 0 319.369 -0.197 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC000977470696 665475084 /nfs/dbraw/zinc/47/50/84/665475084.db2.gz GMLWHGHUJAICPJ-MRVPVSSYSA-N -1 0 320.357 -0.802 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2C(=O)c2cnon2)c1[O-] ZINC000977585380 665484325 /nfs/dbraw/zinc/48/43/25/665484325.db2.gz OVMRKNSUEBLQPJ-QMMMGPOBSA-N -1 0 320.309 -0.207 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2C(=O)c2cn[nH]n2)c1[O-] ZINC000977559205 665480736 /nfs/dbraw/zinc/48/07/36/665480736.db2.gz LZHTVOUOILKTLF-MRVPVSSYSA-N -1 0 319.325 -0.471 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2C(=O)c2nc[nH]n2)c1[O-] ZINC000977586668 665484257 /nfs/dbraw/zinc/48/42/57/665484257.db2.gz RCNGSNNPPDYNLM-QMMMGPOBSA-N -1 0 319.325 -0.471 20 0 DBADRM Cn1cc(C(=O)NC[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)cn1 ZINC000977774834 665500932 /nfs/dbraw/zinc/50/09/32/665500932.db2.gz KMJPXSVFTJRSDR-RTCCRHLQSA-N -1 0 317.353 -0.648 20 0 DBADRM COC1(C(=O)[O-])CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000313978185 665512647 /nfs/dbraw/zinc/51/26/47/665512647.db2.gz PBYLJUXRWHWAKY-UHFFFAOYSA-N -1 0 317.367 -0.017 20 0 DBADRM CC(C)=CC(=O)N1CC[C@@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978075204 665517466 /nfs/dbraw/zinc/51/74/66/665517466.db2.gz UZZVLEDOXHONNL-SECBINFHSA-N -1 0 321.337 -0.078 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1)C(F)F ZINC001009807461 665524919 /nfs/dbraw/zinc/52/49/19/665524919.db2.gz FHDGPRXVCYJHQK-MRVPVSSYSA-N -1 0 311.292 -0.022 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000978189266 665525546 /nfs/dbraw/zinc/52/55/46/665525546.db2.gz FOMAIIHGANYMFI-GUBZILKMSA-N -1 0 323.353 -0.595 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CN(C)C(=O)c2nc[nH]n2)c1[O-] ZINC000978191432 665525645 /nfs/dbraw/zinc/52/56/45/665525645.db2.gz GMRWAMXIZMPXFS-QMMMGPOBSA-N -1 0 319.325 -0.471 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001027614358 665533919 /nfs/dbraw/zinc/53/39/19/665533919.db2.gz YBMAWEOHTLWWGY-VIFPVBQESA-N -1 0 320.357 -0.625 20 0 DBADRM COCC(=O)N1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC001009822132 665535226 /nfs/dbraw/zinc/53/52/26/665535226.db2.gz ZXZLEWFVASIFHJ-UHFFFAOYSA-N -1 0 320.305 -0.141 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001027628676 665540800 /nfs/dbraw/zinc/54/08/00/665540800.db2.gz HZCGKEODCOHBDA-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CCC(=O)N1C[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001009892579 665574453 /nfs/dbraw/zinc/57/44/53/665574453.db2.gz QQBACNRFWSTQTI-ZJUUUORDSA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000979060766 665597565 /nfs/dbraw/zinc/59/75/65/665597565.db2.gz CPYRZXHUXCXJMU-RBXMUDONSA-N -1 0 321.337 -0.437 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cnn(-c2ccccc2)n1 ZINC000314238581 665641890 /nfs/dbraw/zinc/64/18/90/665641890.db2.gz OVEGUIJRSYNMJE-UHFFFAOYSA-N -1 0 303.278 -0.802 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000979429497 665651580 /nfs/dbraw/zinc/65/15/80/665651580.db2.gz QXGCOIIHRCTCLU-JBDRJPRFSA-N -1 0 321.337 -0.437 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000979439392 665653718 /nfs/dbraw/zinc/65/37/18/665653718.db2.gz RPGLPACJVPZDNB-ZYUZMQFOSA-N -1 0 323.353 -0.644 20 0 DBADRM CN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000314273108 665672255 /nfs/dbraw/zinc/67/22/55/665672255.db2.gz CJQDRYPCCSCWEJ-OUAUKWLOSA-N -1 0 318.395 -0.020 20 0 DBADRM CCC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]12 ZINC000979895639 665694924 /nfs/dbraw/zinc/69/49/24/665694924.db2.gz SGEMZDLGPBYQGJ-KXUCPTDWSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(=O)N1CC(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001027848134 665694930 /nfs/dbraw/zinc/69/49/30/665694930.db2.gz QYUJLHDMNNIHGU-NSHDSACASA-N -1 0 322.369 -0.931 20 0 DBADRM CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000979856828 665693373 /nfs/dbraw/zinc/69/33/73/665693373.db2.gz AYDSKJYISSZSPM-XHNCKOQMSA-N -1 0 307.310 -0.731 20 0 DBADRM CCn1ncc(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001027868941 665713986 /nfs/dbraw/zinc/71/39/86/665713986.db2.gz BMYYCCQHSLAJSJ-VIFPVBQESA-N -1 0 320.357 -0.484 20 0 DBADRM CN1C[C@H](C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001027918421 665749343 /nfs/dbraw/zinc/74/93/43/665749343.db2.gz PBIMPDHRHOHSEH-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1nonc1C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000980550235 665772997 /nfs/dbraw/zinc/77/29/97/665772997.db2.gz LJBJGHTWZGCBBF-QMMMGPOBSA-N -1 0 307.314 -0.452 20 0 DBADRM O=C(CCn1cccn1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980726032 665792607 /nfs/dbraw/zinc/79/26/07/665792607.db2.gz CUEHFYHCYMVGQF-UHFFFAOYSA-N -1 0 319.369 -0.169 20 0 DBADRM CCO[C@H]1C[C@@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980764058 665796801 /nfs/dbraw/zinc/79/68/01/665796801.db2.gz BCYMJPCTPQGTCV-QWRGUYRKSA-N -1 0 309.370 -0.030 20 0 DBADRM Cn1cncc1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001028005207 665809780 /nfs/dbraw/zinc/80/97/80/665809780.db2.gz ZFCGRXPIJAYOML-VIFPVBQESA-N -1 0 305.342 -0.362 20 0 DBADRM O=C(c1cn[nH]c(=O)c1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981397814 665848866 /nfs/dbraw/zinc/84/88/66/665848866.db2.gz QQGGRPQOZSGYBV-UHFFFAOYSA-N -1 0 319.325 -0.646 20 0 DBADRM O=C(c1cnc[nH]c1=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981416220 665849827 /nfs/dbraw/zinc/84/98/27/665849827.db2.gz CUURUMCIIFMVSD-UHFFFAOYSA-N -1 0 319.325 -0.646 20 0 DBADRM O=C([C@@H]1CCC(=O)NC1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981523285 665855579 /nfs/dbraw/zinc/85/55/79/665855579.db2.gz NMLLGWCKZUFQII-SNVBAGLBSA-N -1 0 322.369 -0.929 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCCN(Cc2ccon2)CC1 ZINC000981550075 665857198 /nfs/dbraw/zinc/85/71/98/665857198.db2.gz WJVNNAKNLLGEJV-UHFFFAOYSA-N -1 0 320.309 -0.381 20 0 DBADRM C[C@@H]1CO[C@@H](C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC000981646540 665864477 /nfs/dbraw/zinc/86/44/77/665864477.db2.gz MKQIAYOWJRWVDS-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981786203 665875341 /nfs/dbraw/zinc/87/53/41/665875341.db2.gz WINPLUMFFSFOGT-UHFFFAOYSA-N -1 0 319.369 -0.100 20 0 DBADRM O=C(N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@]1(F)CCOC1 ZINC000981822223 665877888 /nfs/dbraw/zinc/87/78/88/665877888.db2.gz YHCIHOAVEQKHMO-ZDUSSCGKSA-N -1 0 313.333 -0.327 20 0 DBADRM Cc1nn(C)cc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010387448 665911540 /nfs/dbraw/zinc/91/15/40/665911540.db2.gz GMUSGXQCKIMYLF-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM CCn1cc(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001028230141 665930823 /nfs/dbraw/zinc/93/08/23/665930823.db2.gz USUKDGLMPLNSDM-SECBINFHSA-N -1 0 320.357 -0.484 20 0 DBADRM CO[C@@H](C)C(=O)N1CC[C@@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC000936809067 665937449 /nfs/dbraw/zinc/93/74/49/665937449.db2.gz GJUMIIMKVHNADS-VHSXEESVSA-N -1 0 308.338 -0.110 20 0 DBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NNC(=O)NC(C)C ZINC000067044253 665950123 /nfs/dbraw/zinc/95/01/23/665950123.db2.gz YYRRWKYTFBQSQO-UHFFFAOYSA-N -1 0 320.353 -0.079 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)CCS(C)(=O)=O)[C@@H]1C(=O)[O-] ZINC000235293260 665959178 /nfs/dbraw/zinc/95/91/78/665959178.db2.gz IOVQFFLMGZYBTL-BDAKNGLRSA-N -1 0 313.397 -0.454 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2CCS(C)(=O)=O)c1[O-] ZINC001038164312 665960825 /nfs/dbraw/zinc/96/08/25/665960825.db2.gz ITQKPKOBCNVOSH-VIFPVBQESA-N -1 0 316.383 -0.728 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)CC[C@@H]2CCCO2)CC1=O ZINC000893713498 665962581 /nfs/dbraw/zinc/96/25/81/665962581.db2.gz PHVUQBZNHIFWJA-QWRGUYRKSA-N -1 0 318.395 -0.130 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2[C@@H]2CCCN(C)C2=O)c1[O-] ZINC001038164465 665963514 /nfs/dbraw/zinc/96/35/14/665963514.db2.gz JCODBBCMXRWRIM-GHMZBOCLSA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2[C@@H]2CCCNC2=O)c1[O-] ZINC001038166024 663794849 /nfs/dbraw/zinc/79/48/49/663794849.db2.gz VFUQHZCDXFRNCN-VHSXEESVSA-N -1 0 307.354 -0.494 20 0 DBADRM Cc1conc1CN[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000969210263 663805926 /nfs/dbraw/zinc/80/59/26/663805926.db2.gz QSGVLKWUYRPCDK-MRVPVSSYSA-N -1 0 320.309 -0.416 20 0 DBADRM C[C@@H](NC(=O)C1=COCCO1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969237153 663808161 /nfs/dbraw/zinc/80/81/61/663808161.db2.gz PCZVTVKUHLROLM-MRVPVSSYSA-N -1 0 309.326 -0.665 20 0 DBADRM Cc1c(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC000969312795 663812791 /nfs/dbraw/zinc/81/27/91/663812791.db2.gz AKNLLHFJTHLMHB-MRVPVSSYSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@@H](NC(=O)c1nccnc1N)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969425257 663829816 /nfs/dbraw/zinc/82/98/16/663829816.db2.gz XJQFLCDIZAROSO-SSDOTTSWSA-N -1 0 318.341 -0.867 20 0 DBADRM C[C@@H](NC(=O)c1cc[nH]c(=O)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969477075 663836687 /nfs/dbraw/zinc/83/66/87/663836687.db2.gz UHJYFFGGTPEUKG-MRVPVSSYSA-N -1 0 318.337 -0.139 20 0 DBADRM C[C@H](NC(=O)c1cc[nH]c(=O)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969477076 663836800 /nfs/dbraw/zinc/83/68/00/663836800.db2.gz UHJYFFGGTPEUKG-QMMMGPOBSA-N -1 0 318.337 -0.139 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(CC(=O)N(C)C)C2)c1[O-] ZINC000969500704 663838512 /nfs/dbraw/zinc/83/85/12/663838512.db2.gz VBVGKSVPMRLMGC-MRVPVSSYSA-N -1 0 309.370 -0.438 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(Cc3ncnn3C)C2)c1[O-] ZINC000969507225 663838975 /nfs/dbraw/zinc/83/89/75/663838975.db2.gz ZGQUCWSVCDHFKM-MRVPVSSYSA-N -1 0 319.369 -0.197 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1CN(C(=O)C1CC1)C2 ZINC000969509837 663839711 /nfs/dbraw/zinc/83/97/11/663839711.db2.gz BMKNMSNHUPQEBB-AOOOYVTPSA-N -1 0 321.337 -0.699 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001038169941 663841752 /nfs/dbraw/zinc/84/17/52/663841752.db2.gz QOLQQAGVWSXEJS-VIFPVBQESA-N -1 0 303.326 -0.387 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3cnns3)CC2)c1[O-] ZINC001010501218 663843747 /nfs/dbraw/zinc/84/37/47/663843747.db2.gz KZOZGMAQIOQTIC-UHFFFAOYSA-N -1 0 322.350 -0.127 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C3(C)CCC3)[C@@H](O)C2)c1[O-] ZINC000969552123 663844609 /nfs/dbraw/zinc/84/46/09/663844609.db2.gz QIQRCIKRZRZVKC-ZJUUUORDSA-N -1 0 322.365 -0.085 20 0 DBADRM CC(=O)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC001020634115 663880426 /nfs/dbraw/zinc/88/04/26/663880426.db2.gz IWSDAGQHLZJPER-VXNVDRBHSA-N -1 0 309.326 -0.483 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN(C(=O)C(N)=O)C[C@@H]2C)c1[O-] ZINC001020799042 663906841 /nfs/dbraw/zinc/90/68/41/663906841.db2.gz MYYBTRRNGMYXHV-IONNQARKSA-N -1 0 323.353 -0.877 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN(C(=O)C(N)=O)C[C@H]2C)c1[O-] ZINC001020799043 663907009 /nfs/dbraw/zinc/90/70/09/663907009.db2.gz MYYBTRRNGMYXHV-VXNVDRBHSA-N -1 0 323.353 -0.877 20 0 DBADRM O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)c1cc(=O)[nH][n-]1 ZINC000804713845 663925490 /nfs/dbraw/zinc/92/54/90/663925490.db2.gz QPKPITGQYPAMMB-MRVPVSSYSA-N -1 0 308.260 -0.758 20 0 DBADRM COc1nc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC000970220145 663948308 /nfs/dbraw/zinc/94/83/08/663948308.db2.gz JTCHIVKMPGTDAO-ZETCQYMHSA-N -1 0 322.325 -0.243 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN([C@H]3CCN(C)C3=O)C2)c1[O-] ZINC001010642599 663965631 /nfs/dbraw/zinc/96/56/31/663965631.db2.gz SWJYBRAKUHMDNP-ZJUUUORDSA-N -1 0 307.354 -0.541 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN([C@H](C)C(=O)N(C)C)C2)c1[O-] ZINC001010643287 663966087 /nfs/dbraw/zinc/96/60/87/663966087.db2.gz UKMASVWINQLASK-ZJUUUORDSA-N -1 0 309.370 -0.295 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN([C@@H](C)C(=O)N(C)C)C2)c1[O-] ZINC001010643272 663966680 /nfs/dbraw/zinc/96/66/80/663966680.db2.gz UKMASVWINQLASK-VHSXEESVSA-N -1 0 309.370 -0.295 20 0 DBADRM C[C@H](NC(=O)[C@H]1OCC[C@H]1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970440486 663989196 /nfs/dbraw/zinc/98/91/96/663989196.db2.gz AGKOSTJDTFSZKR-PTRXPTGYSA-N -1 0 309.370 -0.128 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000970554744 664007104 /nfs/dbraw/zinc/00/71/04/664007104.db2.gz NVJNSIVEZYZTAL-MRVPVSSYSA-N -1 0 305.342 -0.208 20 0 DBADRM Cc1conc1CN[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000970583684 664012597 /nfs/dbraw/zinc/01/25/97/664012597.db2.gz JSEOWSKMCYCXFQ-SECBINFHSA-N -1 0 322.325 -0.624 20 0 DBADRM Cc1ccn(C)c1C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[nH]1 ZINC001038190947 664013896 /nfs/dbraw/zinc/01/38/96/664013896.db2.gz NGGMIZORVHVLRL-NSHDSACASA-N -1 0 318.381 -0.240 20 0 DBADRM C[C@@H](NC(=O)c1ncccn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970629378 664023648 /nfs/dbraw/zinc/02/36/48/664023648.db2.gz XXPYEMFBXBEKKL-MRVPVSSYSA-N -1 0 303.326 -0.449 20 0 DBADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC000909854350 674581722 /nfs/dbraw/zinc/58/17/22/674581722.db2.gz JGBZOYCDIZJXCI-JTQLQIEISA-N -1 0 323.415 -0.318 20 0 DBADRM NC(=O)CC(=O)N1CCC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CC[C@@H]21 ZINC001021547711 664060010 /nfs/dbraw/zinc/06/00/10/664060010.db2.gz JJWNKESXWUGGPW-ZJUUUORDSA-N -1 0 322.369 -0.801 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2COCCO2)c1[O-] ZINC000949426772 664079031 /nfs/dbraw/zinc/07/90/31/664079031.db2.gz RKNRLRFKWOFKOX-UWVGGRQHSA-N -1 0 324.337 -0.830 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2nonc2C)c1[O-] ZINC000949435955 664086294 /nfs/dbraw/zinc/08/62/94/664086294.db2.gz UWNMKTGIBSKZJV-QMMMGPOBSA-N -1 0 320.309 -0.240 20 0 DBADRM C[C@@H]1CN(C(=O)CCSCC(=O)[O-])CCN1S(C)(=O)=O ZINC000909960703 674588233 /nfs/dbraw/zinc/58/82/33/674588233.db2.gz ZTHWRPIDCJHASI-SECBINFHSA-N -1 0 324.424 -0.313 20 0 DBADRM CN(C)c1noc(CCC(=O)N2CC([C@H](F)C(=O)[O-])C2)n1 ZINC000910125309 674594584 /nfs/dbraw/zinc/59/45/84/674594584.db2.gz VBVKPMOWABZGOT-JTQLQIEISA-N -1 0 300.290 -0.051 20 0 DBADRM CN(C(=O)C12CC(C(=O)[O-])(C1)C2)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000910032524 674590452 /nfs/dbraw/zinc/59/04/52/674590452.db2.gz GLCPYXKUAGTVPQ-UHEGKEBESA-N -1 0 316.379 -0.266 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000910034393 674591723 /nfs/dbraw/zinc/59/17/23/674591723.db2.gz WSZUMTGKDMGRCA-UWVGGRQHSA-N -1 0 306.384 -0.165 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC000971300976 664140179 /nfs/dbraw/zinc/14/01/79/664140179.db2.gz LNNOGGGTXSRSJV-SECBINFHSA-N -1 0 320.357 -0.706 20 0 DBADRM Cc1cc(CC(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC000971324595 664141873 /nfs/dbraw/zinc/14/18/73/664141873.db2.gz BMVQLMRWBPLVCP-LLVKDONJSA-N -1 0 319.369 -0.183 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC000971342221 664144223 /nfs/dbraw/zinc/14/42/23/664144223.db2.gz BUMSXRDAJXIYHM-VIFPVBQESA-N -1 0 305.342 -0.410 20 0 DBADRM C[C@H](C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC000971374238 664150908 /nfs/dbraw/zinc/15/09/08/664150908.db2.gz XMYGSGIEPYVGSD-ZJUUUORDSA-N -1 0 320.357 -0.604 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC([C@H](F)C(=O)[O-])C1 ZINC000910133928 674593882 /nfs/dbraw/zinc/59/38/82/674593882.db2.gz HCXJCEUVFIJHJY-IUCAKERBSA-N -1 0 308.331 -0.709 20 0 DBADRM CC(=O)NCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114221 664161249 /nfs/dbraw/zinc/16/12/49/664161249.db2.gz NQQPCIBENYDIAD-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000910195752 674596827 /nfs/dbraw/zinc/59/68/27/674596827.db2.gz NNFUUHVZCTXRRL-SNVBAGLBSA-N -1 0 304.368 -0.266 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](N[C@@H](C)c3nnnn3C)C2)c1[O-] ZINC001021974403 664181715 /nfs/dbraw/zinc/18/17/15/664181715.db2.gz ZNUJYWNXJHVUBD-XHNCKOQMSA-N -1 0 320.357 -0.441 20 0 DBADRM C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001021985516 664183673 /nfs/dbraw/zinc/18/36/73/664183673.db2.gz UOEOZSAZTUCGCE-XHNCKOQMSA-N -1 0 306.330 -0.900 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)Cn2nnc3c2CCCC3)C1 ZINC000910221890 674597453 /nfs/dbraw/zinc/59/74/53/674597453.db2.gz MYDGOWNSNIBTRV-AWEZNQCLSA-N -1 0 308.338 -0.141 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2nnc3c2CCCC3)C[C@@H](C(=O)[O-])O1 ZINC000910228701 674597675 /nfs/dbraw/zinc/59/76/75/674597675.db2.gz VSHWSUCUEBKFAV-SKDRFNHKSA-N -1 0 308.338 -0.143 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N1CCO[C@](C)(C(=O)[O-])C1)CC2 ZINC000910322427 674602106 /nfs/dbraw/zinc/60/21/06/674602106.db2.gz IKGWFGIIUBOPOQ-HZMBPMFUSA-N -1 0 308.338 -0.149 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@](C)(C(=O)[O-])C1 ZINC000910321351 674602142 /nfs/dbraw/zinc/60/21/42/674602142.db2.gz NYTBSPWCCHSGFO-SKDRFNHKSA-N -1 0 302.352 -0.390 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC000971650676 664225579 /nfs/dbraw/zinc/22/55/79/664225579.db2.gz DAWCXRZNPYRYGJ-LLVKDONJSA-N -1 0 319.369 -0.101 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccns3)C2)nc1=O ZINC001022153733 664228190 /nfs/dbraw/zinc/22/81/90/664228190.db2.gz ZXLPNKVBGXQYRO-OCAPTIKFSA-N -1 0 308.367 -0.385 20 0 DBADRM CCN1CCO[C@H](C(=O)N2C[C@H](OC)C[C@@]2(C)C(=O)[O-])C1 ZINC000910263023 674601316 /nfs/dbraw/zinc/60/13/16/674601316.db2.gz KEKSLWGXGVCWCZ-SUNKGSAMSA-N -1 0 300.355 -0.202 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC000971669725 664234341 /nfs/dbraw/zinc/23/43/41/664234341.db2.gz DRYNEJSPQMRFLI-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@]1(C(=O)[O-])CN(C(=O)Cn2nnc3c2CCCC3)CCO1 ZINC000910331043 674602583 /nfs/dbraw/zinc/60/25/83/674602583.db2.gz TYTMYDCSZZYBMH-CQSZACIVSA-N -1 0 308.338 -0.141 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H]1CCCN1c1ccccc1 ZINC000910333929 674602606 /nfs/dbraw/zinc/60/26/06/674602606.db2.gz ITMWJWJXTBRRIO-LBPRGKRZSA-N -1 0 305.334 -0.028 20 0 DBADRM Cc1ncn(C)c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001022238714 664242780 /nfs/dbraw/zinc/24/27/80/664242780.db2.gz QPSVYDAZYFEGBY-AOOOYVTPSA-N -1 0 319.369 -0.799 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)C2)O1 ZINC000924052812 664246036 /nfs/dbraw/zinc/24/60/36/664246036.db2.gz QOMBGWYDABUCOF-NRUUGDAUSA-N -1 0 301.343 -0.310 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1 ZINC000924052872 664246129 /nfs/dbraw/zinc/24/61/29/664246129.db2.gz PKHGSRMGXARUBM-BBGACYKPSA-N -1 0 315.370 -0.064 20 0 DBADRM CCC(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022255512 664248646 /nfs/dbraw/zinc/24/86/46/664248646.db2.gz OFEVOYBFBQZBSV-JGVFFNPUSA-N -1 0 307.310 -0.634 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC3(F)F)C2)nc1=O ZINC001022259470 664250059 /nfs/dbraw/zinc/25/00/59/664250059.db2.gz NHUNRNGRKIYHLR-YIZRAAEISA-N -1 0 315.324 -0.110 20 0 DBADRM CC(C)[C@H](CNS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000087496413 664259881 /nfs/dbraw/zinc/25/98/81/664259881.db2.gz RBRNLAVWHGZLDR-QMMMGPOBSA-N -1 0 301.386 -0.693 20 0 DBADRM O=C(N[C@H]1C[C@@H](NCc2ccon2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001022369761 664268678 /nfs/dbraw/zinc/26/86/78/664268678.db2.gz OMEOVFNJYUGLEH-OCAPTIKFSA-N -1 0 306.282 -0.679 20 0 DBADRM CCn1cnc2c1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C2 ZINC000926276011 664273377 /nfs/dbraw/zinc/27/33/77/664273377.db2.gz FTEBCGXUHLYATC-SNVBAGLBSA-N -1 0 322.365 -0.033 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC000971841849 664274178 /nfs/dbraw/zinc/27/41/78/664274178.db2.gz UTKAKSJQRNEMFC-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM CCN(C(=O)c1cnccn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949594199 664283678 /nfs/dbraw/zinc/28/36/78/664283678.db2.gz FIVWLDBYZBMPLC-UHFFFAOYSA-N -1 0 303.326 -0.353 20 0 DBADRM CCn1ncc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001038231909 664289196 /nfs/dbraw/zinc/28/91/96/664289196.db2.gz QVVCDHWKCQQUGU-QMMMGPOBSA-N -1 0 306.330 -0.874 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2cn[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947484364 664292318 /nfs/dbraw/zinc/29/23/18/664292318.db2.gz LCKVIXAVVLJIPC-SFYZADRCSA-N -1 0 306.330 -0.589 20 0 DBADRM COc1nc(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)co1 ZINC000972015857 664313485 /nfs/dbraw/zinc/31/34/85/664313485.db2.gz GXZMSNGWPOYTMV-MRVPVSSYSA-N -1 0 322.325 -0.147 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC000972038630 664317047 /nfs/dbraw/zinc/31/70/47/664317047.db2.gz CQVPMIOVMYSANI-NSHDSACASA-N -1 0 319.369 -0.170 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CS[C@H](C)C1 ZINC000910490661 674612705 /nfs/dbraw/zinc/61/27/05/674612705.db2.gz XRJWAIZOFJGSAH-NXEZZACHSA-N -1 0 318.395 -0.054 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CCS[C@H]1C ZINC000910493686 674613041 /nfs/dbraw/zinc/61/30/41/674613041.db2.gz MQNZQVBAYMDUNW-UWVGGRQHSA-N -1 0 318.395 -0.054 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001022727250 664344002 /nfs/dbraw/zinc/34/40/02/664344002.db2.gz QQTBIMNZYSUMBX-RGOKHQFPSA-N -1 0 322.369 -0.851 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC000972174005 664344759 /nfs/dbraw/zinc/34/47/59/664344759.db2.gz WMKMHARSDJTNGK-ZANVPECISA-N -1 0 313.333 -0.328 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[C@H]1C(=O)[O-] ZINC000910497438 674614678 /nfs/dbraw/zinc/61/46/78/674614678.db2.gz RABLARWLCASVAY-IKCGXLOGSA-N -1 0 322.361 -0.152 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC000972319712 664367772 /nfs/dbraw/zinc/36/77/72/664367772.db2.gz IXSKBVRHYYVUNM-YMTOWFKASA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 ZINC000972356774 664373947 /nfs/dbraw/zinc/37/39/47/664373947.db2.gz AJPUPTUDMBFMSU-WZRBSPASSA-N -1 0 323.397 -0.434 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)CNS(=O)(=O)CCCOC ZINC000262236369 664416134 /nfs/dbraw/zinc/41/61/34/664416134.db2.gz XKILQUQGTKDMMI-UHFFFAOYSA-N -1 0 310.372 -0.735 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](NCc2ccon2)C1 ZINC001023025901 664427239 /nfs/dbraw/zinc/42/72/39/664427239.db2.gz VAWKWHYCXKXLRJ-DTORHVGOSA-N -1 0 308.298 -0.886 20 0 DBADRM O=C(CN1CSCC1=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC000910579075 674619764 /nfs/dbraw/zinc/61/97/64/674619764.db2.gz CFNYXPXZWRMOJR-BDAKNGLRSA-N -1 0 302.352 -0.342 20 0 DBADRM O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781499444 664429344 /nfs/dbraw/zinc/42/93/44/664429344.db2.gz FKDXLKAVUMOWFR-QWRGUYRKSA-N -1 0 307.368 -0.193 20 0 DBADRM Cc1ccc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001038255033 664441130 /nfs/dbraw/zinc/44/11/30/664441130.db2.gz RCTOJSBLQSVRMU-SECBINFHSA-N -1 0 303.326 -0.387 20 0 DBADRM CS(=O)(=O)CCCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000262317401 664447126 /nfs/dbraw/zinc/44/71/26/664447126.db2.gz CEEGXLJHPSOPSM-GXFFZTMASA-N -1 0 319.379 -0.239 20 0 DBADRM CCN(C(=O)c1cnsn1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000949729988 664461329 /nfs/dbraw/zinc/46/13/29/664461329.db2.gz JWHOEVTUOHSEPO-UHFFFAOYSA-N -1 0 323.382 -0.694 20 0 DBADRM O=C(NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnccn1 ZINC001023208543 664469828 /nfs/dbraw/zinc/46/98/28/664469828.db2.gz HJCHWTYCCJXJBK-SNVBAGLBSA-N -1 0 317.353 -0.058 20 0 DBADRM CC1(Cn2cc(C(=O)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)nn2)COC1 ZINC000910796477 674643934 /nfs/dbraw/zinc/64/39/34/674643934.db2.gz CFOBCEYRNUDTND-JZYVYDRUSA-N -1 0 306.322 -0.283 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000910796426 674643988 /nfs/dbraw/zinc/64/39/88/674643988.db2.gz BIYYTZHTZZJMMH-IQDSPRDJSA-N -1 0 320.345 -0.303 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)C[C@@H]21 ZINC000910841399 674647877 /nfs/dbraw/zinc/64/78/77/674647877.db2.gz CZQSEGDJVHKUMG-GBIKHYSHSA-N -1 0 316.317 -0.325 20 0 DBADRM Cn1cnc(C(=O)NC[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001023310778 664816014 /nfs/dbraw/zinc/81/60/14/664816014.db2.gz YKIJFSCCZZKNAN-SNVBAGLBSA-N -1 0 319.369 -0.114 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[N-]C(=O)c1ccccn1 ZINC000052602099 664818970 /nfs/dbraw/zinc/81/89/70/664818970.db2.gz AZAQEKFDXPZWQV-JTQLQIEISA-N -1 0 312.351 -0.733 20 0 DBADRM Cn1cc(C(=O)NC[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001023351445 664819994 /nfs/dbraw/zinc/81/99/94/664819994.db2.gz WHURZDKNHRXWAY-VIFPVBQESA-N -1 0 320.357 -0.719 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@H]2O)c1[O-] ZINC001023412637 664824487 /nfs/dbraw/zinc/82/44/87/664824487.db2.gz ZUCORXFQVDCQHS-VXNVDRBHSA-N -1 0 321.293 -0.973 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@H]2O)c1[O-] ZINC001023412429 664824601 /nfs/dbraw/zinc/82/46/01/664824601.db2.gz VBKHAFMVNIAQOT-NXEZZACHSA-N -1 0 308.338 -0.475 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@H]2O)c1[O-] ZINC001023413472 664824617 /nfs/dbraw/zinc/82/46/17/664824617.db2.gz KKTGEVOJBLLEMM-WQMVXFAESA-N -1 0 320.349 -0.309 20 0 DBADRM CC[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001023412620 664824622 /nfs/dbraw/zinc/82/46/22/664824622.db2.gz YSCUOWHZFPAJMJ-SZEHBUNVSA-N -1 0 310.354 -0.229 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2O)c1[O-] ZINC001023422958 664825396 /nfs/dbraw/zinc/82/53/96/664825396.db2.gz SFULPPJIWUHERX-NXEZZACHSA-N -1 0 319.321 -0.633 20 0 DBADRM CN(Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)c2nccs2)C1 ZINC000972601642 664841945 /nfs/dbraw/zinc/84/19/45/664841945.db2.gz KRHPSUSPLJWQFN-VIFPVBQESA-N -1 0 322.394 -0.089 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)CNC(=O)c2cccc(F)c2)CCOC1 ZINC000262381010 664843497 /nfs/dbraw/zinc/84/34/97/664843497.db2.gz YSJCLMYRXURGGM-CQSZACIVSA-N -1 0 310.281 -0.085 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC000972620022 664846099 /nfs/dbraw/zinc/84/60/99/664846099.db2.gz VAFHDMVBJZXLEM-YGRLFVJLSA-N -1 0 309.370 -0.030 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)CN1Cc2ccccc2C1=O ZINC000744243953 664852774 /nfs/dbraw/zinc/85/27/74/664852774.db2.gz YEQJYDYFWQNJKN-UHFFFAOYSA-N -1 0 311.363 -0.045 20 0 DBADRM C[C@](O)(CNC(=O)CCN1C(=O)COc2ccccc21)C(=O)[O-] ZINC000262479222 664854447 /nfs/dbraw/zinc/85/44/47/664854447.db2.gz HTCVMJJAJUPZOC-HNNXBMFYSA-N -1 0 322.317 -0.246 20 0 DBADRM C[C@@H](CN(C)c1cc(N2CCN(C)C(=O)C2)ncn1)C(=O)[O-] ZINC000263544430 664857149 /nfs/dbraw/zinc/85/71/49/664857149.db2.gz FZPXFCHXVYTEJX-JTQLQIEISA-N -1 0 307.354 -0.088 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2OCC[C@@H]2N1S(=O)(=O)C[C@@H]1CCCO1 ZINC000926597712 664859575 /nfs/dbraw/zinc/85/95/75/664859575.db2.gz VWCODCWCQOCJCL-NAKRPEOUSA-N -1 0 305.352 -0.188 20 0 DBADRM Cc1nnsc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038044601 664871388 /nfs/dbraw/zinc/87/13/88/664871388.db2.gz LNZLMHXNPJVAJQ-SSDOTTSWSA-N -1 0 309.355 -0.325 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CC2(C)C)cn1 ZINC000972799681 664871947 /nfs/dbraw/zinc/87/19/47/664871947.db2.gz JFRWRANSSAFJJO-JTQLQIEISA-N -1 0 319.369 -0.116 20 0 DBADRM Cn1nccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC000972856378 664878274 /nfs/dbraw/zinc/87/82/74/664878274.db2.gz RGRYTYHDUXFVIG-SNVBAGLBSA-N -1 0 319.369 -0.116 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](NC(=O)C2CCC2)C1 ZINC000972878438 664883792 /nfs/dbraw/zinc/88/37/92/664883792.db2.gz OEBYOGQLNHNDGS-KYZUINATSA-N -1 0 309.326 -0.747 20 0 DBADRM O=C(NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1COC(=O)N1 ZINC001024421597 664887666 /nfs/dbraw/zinc/88/76/66/664887666.db2.gz CFIUIXZEEPSGFD-DTWKUNHWSA-N -1 0 324.341 -0.911 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000972920926 664893329 /nfs/dbraw/zinc/89/33/29/664893329.db2.gz AAPUVJCUPLYSOZ-DKXJUACHSA-N -1 0 307.310 -0.684 20 0 DBADRM CC(C)=CC(=O)N1CC([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006492913 664898245 /nfs/dbraw/zinc/89/82/45/664898245.db2.gz JVNHMVWDPLSJEI-MRVPVSSYSA-N -1 0 321.337 -0.174 20 0 DBADRM C[C@H]1CCCN(S(=O)(=O)CCS(C)(=O)=O)[C@@H]1C(=O)[O-] ZINC000235546447 664898587 /nfs/dbraw/zinc/89/85/87/664898587.db2.gz IOVQFFLMGZYBTL-IUCAKERBSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)CC2CC2)C1 ZINC001006493324 664899832 /nfs/dbraw/zinc/89/98/32/664899832.db2.gz LPECYMJEEHETGR-SSDOTTSWSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)c1nnc[nH]1 ZINC001024717805 664911605 /nfs/dbraw/zinc/91/16/05/664911605.db2.gz IAGYEUAABDJQOJ-QMMMGPOBSA-N -1 0 306.330 -0.587 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)[N-]OC[C@@H]2CCOC2)C1=O ZINC000935594268 664913724 /nfs/dbraw/zinc/91/37/24/664913724.db2.gz PCGOQXAGHDXHJD-GHMZBOCLSA-N -1 0 314.338 -0.518 20 0 DBADRM Cn1[nH]c(C[NH2+]C[C@H]2CCCCN2C(=O)c2cocn2)nc1=O ZINC001024896420 664927638 /nfs/dbraw/zinc/92/76/38/664927638.db2.gz UCWRBOXXXOOSPF-SNVBAGLBSA-N -1 0 320.353 -0.119 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](NC(=O)c2ccoc2)C1 ZINC000972971622 664931685 /nfs/dbraw/zinc/93/16/85/664931685.db2.gz TYMZZHLYBVATFJ-KYZUINATSA-N -1 0 321.293 -0.641 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3ccn[nH]3)C2)c1[O-] ZINC000973038781 664950881 /nfs/dbraw/zinc/95/08/81/664950881.db2.gz KMLMZHLFJJBMQG-ZKCHVHJHSA-N -1 0 304.310 -0.162 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CN([C@@H]3CCNC3=O)CC2(C)C)c1[O-] ZINC000973043649 664952010 /nfs/dbraw/zinc/95/20/10/664952010.db2.gz PLDKPMWPURSCBQ-ZJUUUORDSA-N -1 0 321.381 -0.248 20 0 DBADRM CNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C(C)(C)C1 ZINC000973041756 664953438 /nfs/dbraw/zinc/95/34/38/664953438.db2.gz AFYZQALLBCTCQP-NXEZZACHSA-N -1 0 323.397 -0.002 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccnc(Cl)c1)[C@@H]1COCCO1 ZINC000782639536 664958468 /nfs/dbraw/zinc/95/84/68/664958468.db2.gz HRKNMYXVDIKBMT-QMMMGPOBSA-N -1 0 306.727 -0.045 20 0 DBADRM CCO[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC000973062972 664958548 /nfs/dbraw/zinc/95/85/48/664958548.db2.gz LTLNUTHSYSCJFI-GMOBBJLQSA-N -1 0 320.349 -0.016 20 0 DBADRM O=C(N[C@H]1CCCN(C(=O)C2=COCCO2)C1)c1cn[nH]n1 ZINC000949886000 664994615 /nfs/dbraw/zinc/99/46/15/664994615.db2.gz CPQDFKBRBDVPJR-VIFPVBQESA-N -1 0 307.310 -0.586 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3cncn3C)C2)c1[O-] ZINC000973181989 665001608 /nfs/dbraw/zinc/00/16/08/665001608.db2.gz SUQWINXWXRGKDF-KYZUINATSA-N -1 0 318.337 -0.152 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3cnon3)C2)c1[O-] ZINC000973181935 665001726 /nfs/dbraw/zinc/00/17/26/665001726.db2.gz QXARAZIMBNZGQR-LJGSYFOKSA-N -1 0 306.282 -0.502 20 0 DBADRM CC1(C(=O)N[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000973357716 665026493 /nfs/dbraw/zinc/02/64/93/665026493.db2.gz SJZUCTWNRNXHOQ-LJGSYFOKSA-N -1 0 307.310 -0.540 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973490950 665041513 /nfs/dbraw/zinc/04/15/13/665041513.db2.gz AMBNXFCZFLTWOW-ZYUZMQFOSA-N -1 0 323.353 -0.501 20 0 DBADRM CC(=O)N1CCC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC[C@H]21 ZINC000973704102 665063633 /nfs/dbraw/zinc/06/36/33/665063633.db2.gz WXVYFUNNCUUJKB-GHMZBOCLSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@@H](NC(=O)c1nnc[nH]1)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001025567370 665063731 /nfs/dbraw/zinc/06/37/31/665063731.db2.gz TTYQOBFJVCFBCD-BDAKNGLRSA-N -1 0 320.357 -0.341 20 0 DBADRM CC(=O)N1CCC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC[C@@H]21 ZINC000973704103 665063944 /nfs/dbraw/zinc/06/39/44/665063944.db2.gz WXVYFUNNCUUJKB-MNOVXSKESA-N -1 0 323.353 -0.451 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCN(C(=O)C(F)F)C1 ZINC000936317422 665068039 /nfs/dbraw/zinc/06/80/39/665068039.db2.gz CVOSEVZYDRDPTI-RXMQYKEDSA-N -1 0 317.252 -0.779 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001025755676 665083287 /nfs/dbraw/zinc/08/32/87/665083287.db2.gz PGJKIJFZPGAPEH-GWOFURMSSA-N -1 0 322.365 -0.229 20 0 DBADRM CO[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001025823552 665091152 /nfs/dbraw/zinc/09/11/52/665091152.db2.gz ZQCDOLLLIWAVII-ZTVLKNOQSA-N -1 0 321.381 -0.128 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CO1 ZINC001025823789 665091260 /nfs/dbraw/zinc/09/12/60/665091260.db2.gz CWPLVBBUGCIEPW-OMHSBUABSA-N -1 0 307.354 -0.518 20 0 DBADRM CC(=O)N[C@@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C12CCC2 ZINC001025842728 665092754 /nfs/dbraw/zinc/09/27/54/665092754.db2.gz UWTZGELIJXSSQP-GHMZBOCLSA-N -1 0 320.349 -0.337 20 0 DBADRM CCC(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C12CCC2 ZINC001025829348 665092757 /nfs/dbraw/zinc/09/27/57/665092757.db2.gz KOIWQYJOQNFGBW-YUMQZZPRSA-N -1 0 321.337 -0.150 20 0 DBADRM CC(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C12CCC2 ZINC001025842458 665092766 /nfs/dbraw/zinc/09/27/66/665092766.db2.gz SMQKCAPMUOWPDK-IUCAKERBSA-N -1 0 309.326 -0.747 20 0 DBADRM CC(=O)N[C@@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C12CCC2 ZINC001025842729 665092849 /nfs/dbraw/zinc/09/28/49/665092849.db2.gz UWTZGELIJXSSQP-MNOVXSKESA-N -1 0 320.349 -0.337 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)n(C)c1=O ZINC000892998812 665101850 /nfs/dbraw/zinc/10/18/50/665101850.db2.gz LZPJPFVPFACFPS-VIFPVBQESA-N -1 0 317.367 -0.790 20 0 DBADRM CO[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)CCSC1 ZINC000893121660 665123331 /nfs/dbraw/zinc/12/33/31/665123331.db2.gz PXMXNRBHBYVDDL-NSHDSACASA-N -1 0 319.408 -0.112 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnccn3)C2)c1[O-] ZINC000973813387 665125011 /nfs/dbraw/zinc/12/50/11/665125011.db2.gz PDXYLAQKOSKAMM-DTORHVGOSA-N -1 0 316.321 -0.095 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@@H]1C[C@]12CCOC2 ZINC001026136499 665126968 /nfs/dbraw/zinc/12/69/68/665126968.db2.gz CWWNLCKDXGPZAO-JEFOQBOOSA-N -1 0 319.365 -0.517 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCN(C(=O)CC2CC2)C1 ZINC000936366269 665137601 /nfs/dbraw/zinc/13/76/01/665137601.db2.gz ALZYNIDZDQZQBQ-VIFPVBQESA-N -1 0 321.337 -0.244 20 0 DBADRM CCCC(=O)N1CC[C@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000936395374 665172795 /nfs/dbraw/zinc/17/27/95/665172795.db2.gz UASSPHLMBPCAID-JTQLQIEISA-N -1 0 322.365 -0.041 20 0 DBADRM CCN(C(=O)c1ncccc1O)C1CN([C@H]2CCNC2=O)C1 ZINC000949948519 665193232 /nfs/dbraw/zinc/19/32/32/665193232.db2.gz QSRNMQNFKNAPKC-NSHDSACASA-N -1 0 304.350 -0.178 20 0 DBADRM O=C(N[C@H]1C[C@@H](NC(=O)[C@H]2CC23CC3)C1)c1n[nH]c(=O)[n-]c1=O ZINC000974336177 665193530 /nfs/dbraw/zinc/19/35/30/665193530.db2.gz RBBRQUXWZWKPDB-GJMOJQLCSA-N -1 0 319.321 -0.540 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC000974348512 665195219 /nfs/dbraw/zinc/19/52/19/665195219.db2.gz UCNXWPZCDBOIDZ-YIZRAAEISA-N -1 0 321.337 -0.747 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N(CCO)CCN1CCOCC1 ZINC000911238878 674693836 /nfs/dbraw/zinc/69/38/36/674693836.db2.gz CNCPORJMAMYDHP-GFCCVEGCSA-N -1 0 302.371 -0.504 20 0 DBADRM COCC[N@@H+]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C(C)(C)C1 ZINC000974907471 665256026 /nfs/dbraw/zinc/25/60/26/665256026.db2.gz AADITRLZZCISMP-LLVKDONJSA-N -1 0 324.381 -0.428 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1c[nH]cn1 ZINC000975088097 665267478 /nfs/dbraw/zinc/26/74/78/665267478.db2.gz BPQSZIWJRGXHKW-SNVBAGLBSA-N -1 0 319.369 -0.197 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccnnc1 ZINC000975096607 665268363 /nfs/dbraw/zinc/26/83/63/665268363.db2.gz NEGDAJSLVLJNLP-SNVBAGLBSA-N -1 0 317.353 -0.059 20 0 DBADRM CCC(=O)N1CCC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000975420933 665279621 /nfs/dbraw/zinc/27/96/21/665279621.db2.gz VRUKDNRWSZGXKI-MRVPVSSYSA-N -1 0 309.326 -0.339 20 0 DBADRM CC(C)OCCOC[C@@H](O)CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000911263501 674700266 /nfs/dbraw/zinc/70/02/66/674700266.db2.gz WNPXZORQHJNCCM-TUAOUCFPSA-N -1 0 303.355 -0.032 20 0 DBADRM CCC[C@H](NC(=O)CSCC(=O)N1CCOCC1)C(=O)[O-] ZINC000036835843 665321085 /nfs/dbraw/zinc/32/10/85/665321085.db2.gz MZGWAFZHWAFKMS-JTQLQIEISA-N -1 0 318.395 -0.052 20 0 DBADRM CO[C@H](C)C(=O)N1CCC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001027321458 665336153 /nfs/dbraw/zinc/33/61/53/665336153.db2.gz RYKGYKKQWKLSIV-MNOVXSKESA-N -1 0 311.386 -0.434 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC001027326968 665341986 /nfs/dbraw/zinc/34/19/86/665341986.db2.gz GEIKOLCSKXQCPY-JTQLQIEISA-N -1 0 319.369 -0.020 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC([C@@H](C)NC(=O)c3cnon3)C2)c1[O-] ZINC001006703360 665349022 /nfs/dbraw/zinc/34/90/22/665349022.db2.gz MJXJLMSGUWWVHB-ZCFIWIBFSA-N -1 0 320.309 -0.303 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCOC4)C[C@H]32)c1[O-] ZINC000976366849 665352874 /nfs/dbraw/zinc/35/28/74/665352874.db2.gz WDQHPRXXUZRRDF-UKKRHICBSA-N -1 0 320.349 -0.353 20 0 DBADRM CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[n-]n2c1nccc2=O ZINC000976529429 665367548 /nfs/dbraw/zinc/36/75/48/665367548.db2.gz SJIGUDNALCBJLJ-IAZYJMLFSA-N -1 0 301.306 -0.771 20 0 DBADRM CC(C)=CC(=O)N1CC[C@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000936482118 665381753 /nfs/dbraw/zinc/38/17/53/665381753.db2.gz JVRBRWFZGDZONQ-VIFPVBQESA-N -1 0 321.337 -0.078 20 0 DBADRM Cc1ccnc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]n2)n1 ZINC000976798250 665392079 /nfs/dbraw/zinc/39/20/79/665392079.db2.gz AXJZEOCQVBNQLR-JZYVYDRUSA-N -1 0 313.321 -0.596 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(C(=O)c3cncs3)C[C@H]21)c1cn[nH]n1 ZINC000976798287 665392196 /nfs/dbraw/zinc/39/21/96/665392196.db2.gz CBRWDGWCANTYCY-MTBHXBHISA-N -1 0 304.335 -0.238 20 0 DBADRM Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]n2)no1 ZINC000976798222 665392383 /nfs/dbraw/zinc/39/23/83/665392383.db2.gz AKWCKIFIZPFZGP-VROVMSAKSA-N -1 0 302.294 -0.398 20 0 DBADRM CC[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000976888319 665403346 /nfs/dbraw/zinc/40/33/46/665403346.db2.gz GSQKIUSACDQSJV-HXFLIBJXSA-N -1 0 321.337 -0.485 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CNc1ccccn1 ZINC000911364893 674709956 /nfs/dbraw/zinc/70/99/56/674709956.db2.gz IVUJAYDSZHXSHG-UHFFFAOYSA-N -1 0 322.365 -0.261 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)COC(F)(F)F ZINC000911363329 674710177 /nfs/dbraw/zinc/71/01/77/674710177.db2.gz CVPUFWVKKTVFBU-UHFFFAOYSA-N -1 0 314.260 -0.232 20 0 DBADRM COCC1(O)CCN(C(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)CC1 ZINC000911408810 674720038 /nfs/dbraw/zinc/72/00/38/674720038.db2.gz XQLMXQJKYIZBCN-DCAQKATOSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)c1c[n-]n2c1nccc2=O ZINC000911807032 674747409 /nfs/dbraw/zinc/74/74/09/674747409.db2.gz SXRHGHTXDSMLFF-YIZRAAEISA-N -1 0 303.322 -0.240 20 0 DBADRM CCO[C@H](C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-])[C@@H]1CCOC1 ZINC000911624155 674742885 /nfs/dbraw/zinc/74/28/85/674742885.db2.gz OPSPZILIWIAJDM-KXNHARMFSA-N -1 0 301.339 -0.136 20 0 DBADRM CCO[C@H](C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-])[C@H]1CCOC1 ZINC000911624159 674743132 /nfs/dbraw/zinc/74/31/32/674743132.db2.gz OPSPZILIWIAJDM-YFKTTZPYSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2c[n-]n3c2nccc3=O)[C@H]1C ZINC000911807029 674747650 /nfs/dbraw/zinc/74/76/50/674747650.db2.gz SXRHGHTXDSMLFF-CIUDSAMLSA-N -1 0 303.322 -0.240 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@H](C)CC(=O)[O-])[C@H](C)C1 ZINC000911744634 674746413 /nfs/dbraw/zinc/74/64/13/674746413.db2.gz NWCMZBKMDZKHCO-NXEZZACHSA-N -1 0 306.384 -0.020 20 0 DBADRM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC000911742608 674746436 /nfs/dbraw/zinc/74/64/36/674746436.db2.gz KEFXVHPABIODCN-SECBINFHSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)[C@@H](C)C(=O)N1C ZINC000912013022 674755046 /nfs/dbraw/zinc/75/50/46/674755046.db2.gz LRQOLXYXVMKBTO-VGMNWLOBSA-N -1 0 308.338 -0.434 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C(C)C)C[C@H]2O)c1[O-] ZINC000991385869 674772117 /nfs/dbraw/zinc/77/21/17/674772117.db2.gz GMCVSEPWTSOYGD-VHSXEESVSA-N -1 0 310.354 -0.229 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NC2=NCC(=O)N2C)c1 ZINC000912499256 674772314 /nfs/dbraw/zinc/77/23/14/674772314.db2.gz VCLPXQZLYFLJDT-NRFANRHFSA-N -1 0 309.347 -0.253 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1n[nH]nc1C ZINC000912563505 674776025 /nfs/dbraw/zinc/77/60/25/674776025.db2.gz ZXDSDGUXTONQLO-UHFFFAOYSA-N -1 0 300.300 -0.268 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000912559276 674777292 /nfs/dbraw/zinc/77/72/92/674777292.db2.gz XWPQLTOHCNVKKE-ZCFIWIBFSA-N -1 0 321.336 -0.656 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000912559283 674777597 /nfs/dbraw/zinc/77/75/97/674777597.db2.gz YDSAQPBNJSOORB-HTRCEHHLSA-N -1 0 317.323 -0.320 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)CC3CC3)C[C@@H]2O)c1[O-] ZINC000991389286 674777606 /nfs/dbraw/zinc/77/76/06/674777606.db2.gz MFNPIRNBWCBXHL-QWRGUYRKSA-N -1 0 322.365 -0.085 20 0 DBADRM C[C@H](C(=O)N1CCOC[C@@H]1c1nnn[n-]1)N1CCSCC1 ZINC000913495623 674801290 /nfs/dbraw/zinc/80/12/90/674801290.db2.gz MEESSYKDIOZPQC-NXEZZACHSA-N -1 0 312.399 -0.463 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)C3(C)CC3)[C@@H](O)C2)c1[O-] ZINC000991512964 674807968 /nfs/dbraw/zinc/80/79/68/674807968.db2.gz GQYYFKIOKJGBLE-ZJUUUORDSA-N -1 0 322.365 -0.085 20 0 DBADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)CCS(C)(=O)=O ZINC000164895037 674811231 /nfs/dbraw/zinc/81/12/31/674811231.db2.gz UDRDGWYZIWKYFD-WCBMZHEXSA-N -1 0 313.397 -0.406 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)[C@@H]2CC23CCC3)C1 ZINC000991541072 674812143 /nfs/dbraw/zinc/81/21/43/674812143.db2.gz WNQZEJJFGCLTCD-VIFPVBQESA-N -1 0 321.337 -0.794 20 0 DBADRM O=C(N[N-]S(=O)(=O)c1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000057115482 674823574 /nfs/dbraw/zinc/82/35/74/674823574.db2.gz SBYKOKHYUGXFQI-UHFFFAOYSA-N -1 0 311.279 -0.059 20 0 DBADRM Cc1cc[nH]c1C(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC000991606721 674843939 /nfs/dbraw/zinc/84/39/39/674843939.db2.gz ZHCQHKQFGNKVPB-KOLCDFICSA-N -1 0 318.337 -0.553 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CCc3cnn(C)c3)C2)c1[O-] ZINC001030222633 674846669 /nfs/dbraw/zinc/84/66/69/674846669.db2.gz RQQGRWHDFDJDIF-UHFFFAOYSA-N -1 0 304.354 -0.186 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CC(=O)Nc3ccon3)C2)c1[O-] ZINC001030222158 674846727 /nfs/dbraw/zinc/84/67/27/674846727.db2.gz ICTPYUNYIQJPRE-UHFFFAOYSA-N -1 0 320.309 -0.536 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CC(=O)N3CCCCC3)C2)c1[O-] ZINC001030225619 674847086 /nfs/dbraw/zinc/84/70/86/674847086.db2.gz XAFIBHJWAPSTKR-UHFFFAOYSA-N -1 0 321.381 -0.150 20 0 DBADRM Cc1nc(C)n(CCN2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001030222780 674847156 /nfs/dbraw/zinc/84/71/56/674847156.db2.gz SVXQUXHJVLEXKT-UHFFFAOYSA-N -1 0 319.369 -0.254 20 0 DBADRM COc1cncc(CN2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001030222860 674847238 /nfs/dbraw/zinc/84/72/38/674847238.db2.gz VCIGWGPSAVCRJS-UHFFFAOYSA-N -1 0 318.337 -0.163 20 0 DBADRM Cn1cc(Cl)c(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001030366248 674871632 /nfs/dbraw/zinc/87/16/32/674871632.db2.gz USGUTXKIBXXEMP-UHFFFAOYSA-N -1 0 311.733 -0.489 20 0 DBADRM CC(C)N1C[C@H](C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001030387636 674875258 /nfs/dbraw/zinc/87/52/58/674875258.db2.gz AGEKKLSMIFYDTA-SECBINFHSA-N -1 0 322.369 -0.932 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnc2ccnn21 ZINC001030426830 674887041 /nfs/dbraw/zinc/88/70/41/674887041.db2.gz BBDOMAMLIBCHBR-UHFFFAOYSA-N -1 0 314.309 -0.833 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)Cn3ccnc3C)C2)c1[O-] ZINC000991754778 674889175 /nfs/dbraw/zinc/88/91/75/674889175.db2.gz NMHSJADXKTUWTO-UHFFFAOYSA-N -1 0 318.337 -0.431 20 0 DBADRM CNC(=O)CNS(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000228517443 674895904 /nfs/dbraw/zinc/89/59/04/674895904.db2.gz WCJNMRBNNSVRPD-UHFFFAOYSA-N -1 0 304.299 -0.363 20 0 DBADRM COc1ccncc1CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030514379 674898990 /nfs/dbraw/zinc/89/89/90/674898990.db2.gz NQICZQMIPLPMBM-UHFFFAOYSA-N -1 0 318.337 -0.543 20 0 DBADRM CC[C@@H](CNS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC000087497966 674901718 /nfs/dbraw/zinc/90/17/18/674901718.db2.gz NZPZJHUAGRVASX-VIFPVBQESA-N -1 0 322.383 -0.183 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCCn2nccc21 ZINC001030547736 674902869 /nfs/dbraw/zinc/90/28/69/674902869.db2.gz JFAOEMKMOVOLHJ-SNVBAGLBSA-N -1 0 317.353 -0.415 20 0 DBADRM COc1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)ccn1 ZINC001030592467 674909059 /nfs/dbraw/zinc/90/90/59/674909059.db2.gz BPSCEHNXTFXVHY-UHFFFAOYSA-N -1 0 304.310 -0.472 20 0 DBADRM CCCc1n[nH]cc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030591400 674908709 /nfs/dbraw/zinc/90/87/09/674908709.db2.gz ACVHYMXOIGXELG-UHFFFAOYSA-N -1 0 305.342 -0.200 20 0 DBADRM Cc1noc([C@H](C)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001030615522 674912943 /nfs/dbraw/zinc/91/29/43/674912943.db2.gz LAEZKCUZFSMLAN-YFKPBYRVSA-N -1 0 321.297 -0.851 20 0 DBADRM CC1(C)CO[C@@H](CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC001030615952 674913189 /nfs/dbraw/zinc/91/31/89/674913189.db2.gz AFSRYSPQFWOVSW-SECBINFHSA-N -1 0 323.353 -0.488 20 0 DBADRM Cc1cnc(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)s1 ZINC001030617156 674913271 /nfs/dbraw/zinc/91/32/71/674913271.db2.gz XPHYCKQEVLIZSB-UHFFFAOYSA-N -1 0 322.350 -0.338 20 0 DBADRM O=C(NC1CN(CCC2CCOCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030617065 674913421 /nfs/dbraw/zinc/91/34/21/674913421.db2.gz VQPYQPRJPYOKON-UHFFFAOYSA-N -1 0 323.353 -0.487 20 0 DBADRM CCc1cnc(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001030617172 674913508 /nfs/dbraw/zinc/91/35/08/674913508.db2.gz YJIYOMBSEBCFEX-UHFFFAOYSA-N -1 0 320.309 -0.553 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC2CN([C@H](C)C(N)=O)C2)cc1=O ZINC001030624714 674914863 /nfs/dbraw/zinc/91/48/63/674914863.db2.gz SHXOQOPKOCRHJJ-SNVBAGLBSA-N -1 0 323.397 -0.951 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1Cc2ccccc2O1 ZINC001030637655 674916661 /nfs/dbraw/zinc/91/66/61/674916661.db2.gz XRIVVMYBXFTDHH-GFCCVEGCSA-N -1 0 315.333 -0.186 20 0 DBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1[O-] ZINC000231015410 674920431 /nfs/dbraw/zinc/92/04/31/674920431.db2.gz BCUPCQWTZCLRJK-UHFFFAOYSA-N -1 0 308.381 -0.390 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000231019768 674920460 /nfs/dbraw/zinc/92/04/60/674920460.db2.gz OXHFJMFFERCRRR-VIFPVBQESA-N -1 0 309.388 -0.418 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000231019797 674920470 /nfs/dbraw/zinc/92/04/70/674920470.db2.gz BUKNRFHBXNFKFU-DTWKUNHWSA-N -1 0 307.372 -0.522 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)c1cnc[nH]c1=O)[C@@H]1CCCO1 ZINC000948878741 674921511 /nfs/dbraw/zinc/92/15/11/674921511.db2.gz BHVPHLKWJUBPDZ-ONGXEEELSA-N -1 0 306.322 -0.308 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1onc2c1CCCC2 ZINC001030676500 674921833 /nfs/dbraw/zinc/92/18/33/674921833.db2.gz MCGRJWIKESFOHN-UHFFFAOYSA-N -1 0 318.337 -0.009 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000991993404 674931114 /nfs/dbraw/zinc/93/11/14/674931114.db2.gz YJXXQWRAZZFWQG-VHSXEESVSA-N -1 0 321.337 -0.938 20 0 DBADRM C[C@H]1OCC[C@@]1(C)C(=O)NC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001030726872 674932589 /nfs/dbraw/zinc/93/25/89/674932589.db2.gz KSNYAYXPPTXESB-YMTOWFKASA-N -1 0 309.370 -0.776 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030760505 674941074 /nfs/dbraw/zinc/94/10/74/674941074.db2.gz CJOQWYKCDMCJTP-UHFFFAOYSA-N -1 0 319.369 -0.596 20 0 DBADRM CCn1ccnc1C(=O)NCC1CC(NC(=O)c2cn[nH]n2)C1 ZINC000992082097 674942713 /nfs/dbraw/zinc/94/27/13/674942713.db2.gz WKRGYLJOLGAHIK-UHFFFAOYSA-N -1 0 317.353 -0.041 20 0 DBADRM CC[C@@H](CN1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1)OC ZINC001030779871 674951565 /nfs/dbraw/zinc/95/15/65/674951565.db2.gz LIPYABBIYXQVSF-JTQLQIEISA-N -1 0 310.354 -0.675 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000739673733 674953729 /nfs/dbraw/zinc/95/37/29/674953729.db2.gz JGPBODPESYBWQU-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)C1(c2cccnc2)CC1 ZINC001030825858 674970720 /nfs/dbraw/zinc/97/07/20/674970720.db2.gz QYWLLWNEYYRFGA-UHFFFAOYSA-N -1 0 314.349 -0.063 20 0 DBADRM CCC(=O)N1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001015096904 674979171 /nfs/dbraw/zinc/97/91/71/674979171.db2.gz BKRQDQRAJGBQLZ-HTQZYQBOSA-N -1 0 309.326 -0.198 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCC1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000992299692 674986791 /nfs/dbraw/zinc/98/67/91/674986791.db2.gz QXGCOIIHRCTCLU-KRTGUUSXSA-N -1 0 321.337 -0.437 20 0 DBADRM CCC(=O)N1C[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@]2(C)C1 ZINC000992453276 675000970 /nfs/dbraw/zinc/00/09/70/675000970.db2.gz WWZPTHMIFVNHHQ-LKFCYVNXSA-N -1 0 323.353 -0.594 20 0 DBADRM COc1ncc(S(=O)(=O)NC2CC[NH+](CCO)CC2)s1 ZINC000914155493 675023820 /nfs/dbraw/zinc/02/38/20/675023820.db2.gz CGHAYVMNRSIDDV-UHFFFAOYSA-N -1 0 321.424 -0.113 20 0 DBADRM CC(C)c1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001030993464 675021504 /nfs/dbraw/zinc/02/15/04/675021504.db2.gz ZNBWLGGWKBHEQN-UHFFFAOYSA-N -1 0 305.342 -0.029 20 0 DBADRM COc1c(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c(C)nn1C ZINC001031037410 675027776 /nfs/dbraw/zinc/02/77/76/675027776.db2.gz DRWIOJFZZOFLEZ-UHFFFAOYSA-N -1 0 321.341 -0.825 20 0 DBADRM NC(=O)C[C@@H]1CCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730541833 675039143 /nfs/dbraw/zinc/03/91/43/675039143.db2.gz YPHMZXOZLOGHPI-VIFPVBQESA-N -1 0 318.337 -0.672 20 0 DBADRM COc1ccc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cn1 ZINC000730521606 675036390 /nfs/dbraw/zinc/03/63/90/675036390.db2.gz ULVYPAKOOIUTIW-UHFFFAOYSA-N -1 0 314.305 -0.209 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000730530486 675036525 /nfs/dbraw/zinc/03/65/25/675036525.db2.gz SCXXLRZTXVTJHJ-QMMMGPOBSA-N -1 0 305.294 -0.907 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1nnc2ccccn21 ZINC000730529636 675036544 /nfs/dbraw/zinc/03/65/44/675036544.db2.gz OPIJFNRQBUIVGE-UHFFFAOYSA-N -1 0 310.277 -0.247 20 0 DBADRM CCc1nc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c(C)o1 ZINC001031091370 675037883 /nfs/dbraw/zinc/03/78/83/675037883.db2.gz VBGMCETWIWFKJH-UHFFFAOYSA-N -1 0 306.326 -0.017 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCN(C2CC2)CC1 ZINC000730534437 675038383 /nfs/dbraw/zinc/03/83/83/675038383.db2.gz BXPRGJBVSCYUNJ-UHFFFAOYSA-N -1 0 302.338 -0.622 20 0 DBADRM CCC[C@](C)(NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)OC ZINC000730535900 675038688 /nfs/dbraw/zinc/03/86/88/675038688.db2.gz KNMNZADSJDFUQM-AWEZNQCLSA-N -1 0 321.337 -0.081 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225802583 675040694 /nfs/dbraw/zinc/04/06/94/675040694.db2.gz LQXWRAPCXYCHSY-UHFFFAOYSA-N -1 0 317.323 -0.031 20 0 DBADRM CCOCCOCCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730690152 675046172 /nfs/dbraw/zinc/04/61/72/675046172.db2.gz PWYOJOMVHDDJEK-UHFFFAOYSA-N -1 0 310.310 -0.333 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1ccccc1CO ZINC000730589681 675041127 /nfs/dbraw/zinc/04/11/27/675041127.db2.gz MHKHOPNZOQDKJG-UHFFFAOYSA-N -1 0 313.317 -0.120 20 0 DBADRM CCCCCNC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730659121 675045542 /nfs/dbraw/zinc/04/55/42/675045542.db2.gz LAXWKDULEZNWNV-UHFFFAOYSA-N -1 0 321.337 -0.079 20 0 DBADRM C[C@@H]1[C@H](NC(=O)Cc2cc[nH]n2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993152039 675058186 /nfs/dbraw/zinc/05/81/86/675058186.db2.gz UWEBZQYBMFFBHN-MWLCHTKSSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2[C@H]2CCC(=O)NC2=O)c1[O-] ZINC001038165185 670568178 /nfs/dbraw/zinc/56/81/78/670568178.db2.gz NYSHRNMSLVYWIJ-IUCAKERBSA-N -1 0 321.337 -0.967 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2[C@@H](C)c2nnnn2C)c1[O-] ZINC001038165269 670569368 /nfs/dbraw/zinc/56/93/68/670569368.db2.gz OZMHEASIXSUVFR-IUCAKERBSA-N -1 0 320.357 -0.487 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001028432695 670754295 /nfs/dbraw/zinc/75/42/95/670754295.db2.gz HZJVKSMSOUPAMS-SNVBAGLBSA-N -1 0 319.369 -0.196 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCCOC1 ZINC001028436485 670757266 /nfs/dbraw/zinc/75/72/66/670757266.db2.gz FPCIDLAHCVUYOS-WDEREUQCSA-N -1 0 309.370 -0.125 20 0 DBADRM Cc1ncc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001028448772 670780141 /nfs/dbraw/zinc/78/01/41/670780141.db2.gz MNWMZEGNTRMSLC-VIFPVBQESA-N -1 0 305.342 -0.206 20 0 DBADRM CC(=O)N1CCCC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000937145620 670798199 /nfs/dbraw/zinc/79/81/99/670798199.db2.gz MZLDSDIALVITGH-JTQLQIEISA-N -1 0 308.338 -0.383 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN(Cc3nnnn3C)C2)c1[O-] ZINC001028485019 670807134 /nfs/dbraw/zinc/80/71/34/670807134.db2.gz HOZYNVFXFGUSRT-VIFPVBQESA-N -1 0 320.357 -0.801 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN(Cc3nnn(C)n3)C2)c1[O-] ZINC001028485105 670807776 /nfs/dbraw/zinc/80/77/76/670807776.db2.gz KLXRMXIQLGTILR-VIFPVBQESA-N -1 0 320.357 -0.801 20 0 DBADRM CC(C)(CCNC(=O)N1CCC[C@@](O)(C(N)=O)C1)C(=O)[O-] ZINC000261777770 670861844 /nfs/dbraw/zinc/86/18/44/670861844.db2.gz WQLVCDNKQKIOLF-ZDUSSCGKSA-N -1 0 301.343 -0.491 20 0 DBADRM O=C(COC(=O)C1CC(=O)NC(=O)C1)[N-]OCc1ccccc1 ZINC000726819035 670879563 /nfs/dbraw/zinc/87/95/63/670879563.db2.gz ZPSHCUSELWLPQP-UHFFFAOYSA-N -1 0 320.301 -0.170 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1COc2ccccc21 ZINC000747757167 670891158 /nfs/dbraw/zinc/89/11/58/670891158.db2.gz MIGQCYUTTLWHIE-NSHDSACASA-N -1 0 312.347 -0.144 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000983063380 670937172 /nfs/dbraw/zinc/93/71/72/670937172.db2.gz YRMRPAVDRHGDFM-KXUCPTDWSA-N -1 0 323.353 -0.690 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](CNC(=O)C2CC2)C1 ZINC000983061387 670937261 /nfs/dbraw/zinc/93/72/61/670937261.db2.gz LOGASJZOROYZPG-MRVPVSSYSA-N -1 0 309.326 -0.936 20 0 DBADRM Cn1cc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]c1=O ZINC001028783521 671046027 /nfs/dbraw/zinc/04/60/27/671046027.db2.gz PVNDHUVWJJTYGI-QMMMGPOBSA-N -1 0 321.341 -0.799 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnnc1 ZINC001028827156 671061525 /nfs/dbraw/zinc/06/15/25/671061525.db2.gz PCUBZTRAPRGAHG-VIFPVBQESA-N -1 0 303.326 -0.448 20 0 DBADRM CCC(=O)N[C@@H]1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983373780 671095985 /nfs/dbraw/zinc/09/59/85/671095985.db2.gz HRVFANIRDFXHLH-SFYZADRCSA-N -1 0 309.326 -0.150 20 0 DBADRM CCn1cnc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001028934179 671109760 /nfs/dbraw/zinc/10/97/60/671109760.db2.gz YHGWJALNPPICFF-SNVBAGLBSA-N -1 0 319.369 -0.021 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCCCS1(=O)=O ZINC000791803011 671153486 /nfs/dbraw/zinc/15/34/86/671153486.db2.gz WEYXTZPINXSFCD-SECBINFHSA-N -1 0 313.397 -0.564 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NC2(C(=O)[O-])CCCCC2)nn1 ZINC000262023694 671188431 /nfs/dbraw/zinc/18/84/31/671188431.db2.gz MVSYHMRUMNMIQB-UHFFFAOYSA-N -1 0 323.353 -0.116 20 0 DBADRM O=C(Cn1ccc([N+](=O)[O-])n1)[N-]S(=O)(=O)N1CCCC1 ZINC000048869357 671249548 /nfs/dbraw/zinc/24/95/48/671249548.db2.gz XPCCMZCPADZXGP-UHFFFAOYSA-N -1 0 303.300 -0.752 20 0 DBADRM CC(C)[C@H](O)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000909426459 671284201 /nfs/dbraw/zinc/28/42/01/671284201.db2.gz GWBSGOUJFZIRHR-JQWIXIFHSA-N -1 0 300.355 -0.215 20 0 DBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)C(C)(C)CO ZINC000909435337 671289477 /nfs/dbraw/zinc/28/94/77/671289477.db2.gz ZZCASMAGSCUUGL-JTQLQIEISA-N -1 0 300.355 -0.214 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000262106082 671291894 /nfs/dbraw/zinc/29/18/94/671291894.db2.gz DECNETBLVURDGC-LLVKDONJSA-N -1 0 313.354 -0.515 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@H](C)C(N)=O)c1[O-] ZINC001029272678 671293020 /nfs/dbraw/zinc/29/30/20/671293020.db2.gz AGOOFSFHCYYOJR-BBBLOLIVSA-N -1 0 307.354 -0.414 20 0 DBADRM CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000983937861 671302982 /nfs/dbraw/zinc/30/29/82/671302982.db2.gz VCCCJDOGXCEVQC-APPZFPTMSA-N -1 0 309.326 -0.340 20 0 DBADRM Cn1nncc1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029291786 671304413 /nfs/dbraw/zinc/30/44/13/671304413.db2.gz PGOSTRVNWIJRCE-DTORHVGOSA-N -1 0 318.341 -0.872 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029295451 671306072 /nfs/dbraw/zinc/30/60/72/671306072.db2.gz HDJCDPNSXLBBFC-JFGNBEQYSA-N -1 0 309.370 -0.298 20 0 DBADRM O=C(c1ncc[nH]1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029300118 671308123 /nfs/dbraw/zinc/30/81/23/671308123.db2.gz TVCKPGZLOJWFIG-DTORHVGOSA-N -1 0 303.326 -0.278 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccco1 ZINC000732507177 677362172 /nfs/dbraw/zinc/36/21/72/677362172.db2.gz TVYNJNKEGADCDJ-UHFFFAOYSA-N -1 0 318.351 -0.118 20 0 DBADRM CC(=O)NCc1nc(CNC(=O)c2ccc(C)nn2)cc(=O)[nH]1 ZINC000984126144 671323032 /nfs/dbraw/zinc/32/30/32/671323032.db2.gz LKJIDSRWDJWKOV-UHFFFAOYSA-N -1 0 316.321 -0.153 20 0 DBADRM COC(=O)[C@H]1C[C@@H]1C(=O)NCc1nc(CNC(C)=O)cc(=O)[nH]1 ZINC000984126411 671323331 /nfs/dbraw/zinc/32/33/31/671323331.db2.gz WXPBXEAEROIFPY-UWVGGRQHSA-N -1 0 322.321 -0.756 20 0 DBADRM O=C(CN1CCCS1(=O)=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000262186618 671338796 /nfs/dbraw/zinc/33/87/96/671338796.db2.gz PKCYPDRCJSVOJN-SNVBAGLBSA-N -1 0 308.381 -0.902 20 0 DBADRM O=C(/C=C/CN1CCOCC1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000866902200 671339479 /nfs/dbraw/zinc/33/94/79/671339479.db2.gz ZPOXTSORCBCYPV-KMOQFTEPSA-N -1 0 306.370 -0.206 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1CC ZINC000984386401 671346226 /nfs/dbraw/zinc/34/62/26/671346226.db2.gz DMIRCVBLNHOXJR-JGVFFNPUSA-N -1 0 309.326 -0.198 20 0 DBADRM CN(CC(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])S(C)(=O)=O ZINC000262266919 671392777 /nfs/dbraw/zinc/39/27/77/671392777.db2.gz XLUYJDNSJJPVIJ-SECBINFHSA-N -1 0 324.399 -0.348 20 0 DBADRM O=C(c1ccnnc1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029489459 671429180 /nfs/dbraw/zinc/42/91/80/671429180.db2.gz YETLGHHLCYDLQN-PHIMTYICSA-N -1 0 315.337 -0.211 20 0 DBADRM COCC[C@@H](NC(=O)CNC(=O)NCc1ccco1)C(=O)[O-] ZINC000262337066 671434511 /nfs/dbraw/zinc/43/45/11/671434511.db2.gz WJODJWCDRSAWRG-SNVBAGLBSA-N -1 0 313.310 -0.315 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC000262380213 671446168 /nfs/dbraw/zinc/44/61/68/671446168.db2.gz IHXYUJZILLGGDS-QMMMGPOBSA-N -1 0 313.335 -0.457 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)[C@]3(O)CCSC3)C[C@H]1COCC2 ZINC000909561676 671447836 /nfs/dbraw/zinc/44/78/36/671447836.db2.gz AIVPCQLWLOJKFH-BIMULSAOSA-N -1 0 301.364 -0.196 20 0 DBADRM Cn1ccnc1COCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000909564232 671448798 /nfs/dbraw/zinc/44/87/98/671448798.db2.gz BIJSEHIQQSTKLK-XHDPSFHLSA-N -1 0 323.349 -0.114 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@]1(O)CCSC1 ZINC000866908699 671454756 /nfs/dbraw/zinc/45/47/56/671454756.db2.gz NWMQNLZILRVZAV-SECBINFHSA-N -1 0 314.454 -0.049 20 0 DBADRM CCC[C@H](C)N1C[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])CC1=O ZINC000262466289 671457081 /nfs/dbraw/zinc/45/70/81/671457081.db2.gz YHKPGHJDUCVDQE-PKFCDNJMSA-N -1 0 300.355 -0.025 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CC(=O)N(C2CC2)C1 ZINC000866914163 671466528 /nfs/dbraw/zinc/46/65/28/671466528.db2.gz BVCAAALNFWZAFB-DCXZOGHSSA-N -1 0 309.413 -0.298 20 0 DBADRM O=C(CSCC(=O)N1CCOCC1)[N-]OC[C@H]1CCOC1 ZINC000788272507 671467538 /nfs/dbraw/zinc/46/75/38/671467538.db2.gz ALBUJJYWYGHZFK-NSHDSACASA-N -1 0 318.395 -0.337 20 0 DBADRM C[C@@H]1Oc2ccccc2N(CC(=O)NC[C@](C)(O)C(=O)[O-])C1=O ZINC000262511358 671476084 /nfs/dbraw/zinc/47/60/84/671476084.db2.gz MFBGBJUHJDUPJW-VFZGTOFNSA-N -1 0 322.317 -0.248 20 0 DBADRM C[C@@](O)(CNC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)[O-] ZINC000262531454 671494781 /nfs/dbraw/zinc/49/47/81/671494781.db2.gz PQGBFCFUBQJMRR-CQSZACIVSA-N -1 0 312.297 -0.564 20 0 DBADRM COCc1ncc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)s1 ZINC000797287844 671498185 /nfs/dbraw/zinc/49/81/85/671498185.db2.gz RSSNQTVADZTVBY-ZCFIWIBFSA-N -1 0 322.364 -0.089 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1SC ZINC000797306086 671498888 /nfs/dbraw/zinc/49/88/88/671498888.db2.gz MUPKWFHJGUYHDN-ZCFIWIBFSA-N -1 0 321.380 -0.237 20 0 DBADRM O=C(CC1CC1)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000937599720 671499971 /nfs/dbraw/zinc/49/99/71/671499971.db2.gz VQIMXBPHTSZFJR-VIFPVBQESA-N -1 0 309.326 -0.794 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925168277 671506234 /nfs/dbraw/zinc/50/62/34/671506234.db2.gz FZOWLWWOHCAKCX-UWVGGRQHSA-N -1 0 302.400 -0.457 20 0 DBADRM Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@H]2C)on1 ZINC000985988888 671550550 /nfs/dbraw/zinc/55/05/50/671550550.db2.gz ZFWOGABTEFEMOR-ZJUUUORDSA-N -1 0 320.353 -0.202 20 0 DBADRM Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@@H]2C)on1 ZINC000985988872 671550783 /nfs/dbraw/zinc/55/07/83/671550783.db2.gz ZFWOGABTEFEMOR-UWVGGRQHSA-N -1 0 320.353 -0.202 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NCc3nnn(C)n3)[C@@H]2C)c1[O-] ZINC000986156321 671568796 /nfs/dbraw/zinc/56/87/96/671568796.db2.gz FZAGOXOCOWZRFP-IUCAKERBSA-N -1 0 320.357 -0.660 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000262758251 671572914 /nfs/dbraw/zinc/57/29/14/671572914.db2.gz KETNACLOFWRYBR-QPUJVOFHSA-N -1 0 324.374 -0.025 20 0 DBADRM CCC(=O)N[C@@H]1C[C@H](C)N(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001013144440 671594881 /nfs/dbraw/zinc/59/48/81/671594881.db2.gz ZFOGDADVNUREBF-DTWKUNHWSA-N -1 0 323.353 -0.269 20 0 DBADRM C[C@H]1[C@H](NCc2ccon2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000986485206 671596371 /nfs/dbraw/zinc/59/63/71/671596371.db2.gz CHZKCZABUIVBAF-IONNQARKSA-N -1 0 320.309 -0.336 20 0 DBADRM C[C@@H]1[C@H](NCc2ccon2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000986485210 671596556 /nfs/dbraw/zinc/59/65/56/671596556.db2.gz CHZKCZABUIVBAF-VXNVDRBHSA-N -1 0 320.309 -0.336 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@H]1CC2(CO1)CCOCC2 ZINC000923908344 671597439 /nfs/dbraw/zinc/59/74/39/671597439.db2.gz QCGDHRPTDIHGBH-SNVBAGLBSA-N -1 0 301.343 -0.451 20 0 DBADRM CO[N-]C(=O)CN1C(=O)N[C@H](c2ccc3c(c2)CCO3)C1=O ZINC000925259986 671597837 /nfs/dbraw/zinc/59/78/37/671597837.db2.gz YXXUILIDPXBYEE-GFCCVEGCSA-N -1 0 305.290 -0.108 20 0 DBADRM C[C@@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)Cc1cnoc1 ZINC000986688920 671613420 /nfs/dbraw/zinc/61/34/20/671613420.db2.gz FEFNYLHVBZCEEY-KOLCDFICSA-N -1 0 320.353 -0.582 20 0 DBADRM NC(=O)CC(=O)N1CCCCC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000986947319 671627498 /nfs/dbraw/zinc/62/74/98/671627498.db2.gz BAYNBVKVRDRWRU-SECBINFHSA-N -1 0 308.342 -0.819 20 0 DBADRM C[C@@H](NC(=O)c1ncccc1O)C1CCN(C(=O)C(N)=O)CC1 ZINC000986980820 671632378 /nfs/dbraw/zinc/63/23/78/671632378.db2.gz PUAPCFMZCCDPDC-SECBINFHSA-N -1 0 320.349 -0.371 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263099019 671634134 /nfs/dbraw/zinc/63/41/34/671634134.db2.gz AWBZCNQASXQBFN-NXEZZACHSA-N -1 0 321.399 -0.322 20 0 DBADRM CCCC(=O)N1CSC[C@H]1C(=O)N[C@@H](COC)C(=O)[O-] ZINC000263154349 671647234 /nfs/dbraw/zinc/64/72/34/671647234.db2.gz ZJFHSQXPZMADQQ-IUCAKERBSA-N -1 0 304.368 -0.096 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)[C@@H]1C ZINC000987167314 671654008 /nfs/dbraw/zinc/65/40/08/671654008.db2.gz BDPNTPOCUPWRJV-SCZZXKLOSA-N -1 0 308.338 -0.385 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C2CCC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987173493 671655321 /nfs/dbraw/zinc/65/53/21/671655321.db2.gz GWSSNLTVUGQENK-APPZFPTMSA-N -1 0 321.337 -0.198 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2ccccc2)C1 ZINC000170306965 671659047 /nfs/dbraw/zinc/65/90/47/671659047.db2.gz WDEMPMCHZYRLMA-SNVBAGLBSA-N -1 0 312.347 -0.102 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000263340632 671685215 /nfs/dbraw/zinc/68/52/15/671685215.db2.gz FGHPIKOTYRHAIT-SECBINFHSA-N -1 0 324.403 -0.819 20 0 DBADRM COCCNC(=O)[C@H](CC(C)C)NC(=O)NCCC(=O)[O-] ZINC000263364004 671688480 /nfs/dbraw/zinc/68/84/80/671688480.db2.gz LCKCKXMOXCKOBA-JTQLQIEISA-N -1 0 303.359 -0.062 20 0 DBADRM CCC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000263414624 671697512 /nfs/dbraw/zinc/69/75/12/671697512.db2.gz JRARFIQIAVJCQS-SECBINFHSA-N -1 0 301.324 -0.288 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnon3)[C@@H]2C)c1[O-] ZINC000987607500 671701326 /nfs/dbraw/zinc/70/13/26/671701326.db2.gz FKLKTQBDIXWHSY-SFYZADRCSA-N -1 0 320.309 -0.160 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)[C@@H]2C)c1[O-] ZINC000987602045 671702295 /nfs/dbraw/zinc/70/22/95/671702295.db2.gz LWZKKBHLMRZCCU-SFYZADRCSA-N -1 0 309.326 -0.982 20 0 DBADRM COc1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])c(F)c1 ZINC000263473948 671705015 /nfs/dbraw/zinc/70/50/15/671705015.db2.gz IQWFBEJUCLJONZ-LLVKDONJSA-N -1 0 307.299 -0.052 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cnccn3)C2)c1[O-] ZINC000937627337 671761488 /nfs/dbraw/zinc/76/14/88/671761488.db2.gz OTVYNAJXTOFCOQ-VIFPVBQESA-N -1 0 316.321 -0.142 20 0 DBADRM CC(=O)N1CCC(CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000988402349 671789919 /nfs/dbraw/zinc/78/99/19/671789919.db2.gz WIZNKTXMESIDSV-UHFFFAOYSA-N -1 0 309.326 -0.387 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccoc1 ZINC000937681379 671803294 /nfs/dbraw/zinc/80/32/94/671803294.db2.gz DSDNDZHIAOFECA-QMMMGPOBSA-N -1 0 319.277 -0.480 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)C2(C)CC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000988472110 671806350 /nfs/dbraw/zinc/80/63/50/671806350.db2.gz ZOOLEVHXPBCHTL-SFYZADRCSA-N -1 0 321.337 -0.198 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000035097557 671810940 /nfs/dbraw/zinc/81/09/40/671810940.db2.gz RWIBJAWYTWHJBX-UHFFFAOYSA-N -1 0 314.681 -0.001 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000035097499 671811123 /nfs/dbraw/zinc/81/11/23/671811123.db2.gz UGDLVBBLOVXHAN-UHFFFAOYSA-N -1 0 314.319 -0.979 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](NCc3cn(C)nn3)C[C@H]2C)c1[O-] ZINC000988639301 671814419 /nfs/dbraw/zinc/81/44/19/671814419.db2.gz WYYLTYKAYSXEHS-PSASIEDQSA-N -1 0 319.369 -0.055 20 0 DBADRM CC(=O)N[C@]12CCC[C@H]1N(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC001014113617 671832092 /nfs/dbraw/zinc/83/20/92/671832092.db2.gz KVIZSZCUWRERML-OQPBUACISA-N -1 0 307.310 -0.444 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnccn3)C2)c1[O-] ZINC000937831546 671840254 /nfs/dbraw/zinc/84/02/54/671840254.db2.gz IQKWWJFGDZEIBJ-VIFPVBQESA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnn(C)n3)C2)c1[O-] ZINC000937831515 671840294 /nfs/dbraw/zinc/84/02/94/671840294.db2.gz HTQWAGBUEHZCDM-QMMMGPOBSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3ccnnc3)C2)c1[O-] ZINC000937834838 671840546 /nfs/dbraw/zinc/84/05/46/671840546.db2.gz DMZODKFZVLOBPM-JTQLQIEISA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)Cc3nnc[nH]3)C2)c1[O-] ZINC000937835764 671840774 /nfs/dbraw/zinc/84/07/74/671840774.db2.gz KKWPAVWIWXBIMJ-QMMMGPOBSA-N -1 0 319.325 -0.885 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C1CCC1 ZINC000989113868 671879604 /nfs/dbraw/zinc/87/96/04/671879604.db2.gz KEZXWVYLGOPXNG-APPZFPTMSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C1CC1 ZINC000989114323 671879623 /nfs/dbraw/zinc/87/96/23/671879623.db2.gz OTOQHCSYEBTLPB-SVRRBLITSA-N -1 0 307.310 -0.588 20 0 DBADRM C[C@@H]1C[C@H](NCc2cnon2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989114359 671879664 /nfs/dbraw/zinc/87/96/64/671879664.db2.gz XMKVQNAVMACXQN-RQJHMYQMSA-N -1 0 321.297 -0.941 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC000989117106 671879672 /nfs/dbraw/zinc/87/96/72/671879672.db2.gz DZENXQOTLOQJQK-KZVJFYERSA-N -1 0 321.337 -0.342 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cocn2)CC1 ZINC000729893184 672496474 /nfs/dbraw/zinc/49/64/74/672496474.db2.gz BEQOKACBRNHLRS-UHFFFAOYSA-N -1 0 317.323 -0.466 20 0 DBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000729902011 672496600 /nfs/dbraw/zinc/49/66/00/672496600.db2.gz BALUYDMSVRLQRT-UHFFFAOYSA-N -1 0 318.376 -0.545 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cnon3)[C@H]2C)c1[O-] ZINC000989410431 672500052 /nfs/dbraw/zinc/50/00/52/672500052.db2.gz RJEUZYXAUWZQAT-SFYZADRCSA-N -1 0 320.309 -0.160 20 0 DBADRM C[C@@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)c1n[nH]cc1F ZINC000989416551 672500731 /nfs/dbraw/zinc/50/07/31/672500731.db2.gz CEMFKKWJJCVLMH-RQJHMYQMSA-N -1 0 309.305 -0.235 20 0 DBADRM NC(=O)[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCCC2)C1 ZINC000786934365 672506106 /nfs/dbraw/zinc/50/61/06/672506106.db2.gz RSIFUQDODOIBEK-VHSXEESVSA-N -1 0 303.384 -0.265 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCCN(C/C=C/Cl)CC1 ZINC000989564947 672561318 /nfs/dbraw/zinc/56/13/18/672561318.db2.gz VBPXYDIUIKOLFA-HNQUOIGGSA-N -1 0 315.761 -0.024 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCCN(Cc2ccon2)CC1 ZINC000989562469 672562829 /nfs/dbraw/zinc/56/28/29/672562829.db2.gz HGRZJIQDKFORIC-UHFFFAOYSA-N -1 0 322.325 -0.588 20 0 DBADRM Cc1nonc1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000989793597 672600988 /nfs/dbraw/zinc/60/09/88/672600988.db2.gz YZILSWNTAGGSOL-UHFFFAOYSA-N -1 0 307.314 -0.450 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NC1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000990129731 672652478 /nfs/dbraw/zinc/65/24/78/672652478.db2.gz QOCXULMQHZHXKP-IONNQARKSA-N -1 0 321.337 -0.802 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)[C@H]2CC=CCC2)C1 ZINC000990211795 672682817 /nfs/dbraw/zinc/68/28/17/672682817.db2.gz GGBDQDPVISIMRA-VIFPVBQESA-N -1 0 321.337 -0.627 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)[C@H]1CC=CCC1 ZINC000990211661 672682836 /nfs/dbraw/zinc/68/28/36/672682836.db2.gz DYWOFXVHSBAOGV-QMMMGPOBSA-N -1 0 319.321 -0.420 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)[C@@H]1CC=CCC1 ZINC000990211659 672682849 /nfs/dbraw/zinc/68/28/49/672682849.db2.gz DYWOFXVHSBAOGV-MRVPVSSYSA-N -1 0 319.321 -0.420 20 0 DBADRM CCO[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000990326659 672741301 /nfs/dbraw/zinc/74/13/01/672741301.db2.gz FJHHUVBMNDCDMB-VHSXEESVSA-N -1 0 308.338 -0.211 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C[C@H]2CCCCO2)C1 ZINC001031314581 677415424 /nfs/dbraw/zinc/41/54/24/677415424.db2.gz ACTWPSKCNJXRCW-SNVBAGLBSA-N -1 0 311.342 -0.941 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000942744222 677959670 /nfs/dbraw/zinc/95/96/70/677959670.db2.gz ZIHUEPCWYAUJGG-SECBINFHSA-N -1 0 323.353 -0.638 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2C(=O)c2nc[nH]n2)c1[O-] ZINC000944202525 678064160 /nfs/dbraw/zinc/06/41/60/678064160.db2.gz ZALGCPWOYFLMLW-MRVPVSSYSA-N -1 0 319.325 -0.424 20 0 DBADRM CC(=O)N1CC[C@@H]2[C@H](CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000945812317 678178396 /nfs/dbraw/zinc/17/83/96/678178396.db2.gz AHAPOZCJUPDCNQ-RKDXNWHRSA-N -1 0 307.310 -0.634 20 0 DBADRM CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000731289193 677339635 /nfs/dbraw/zinc/33/96/35/677339635.db2.gz NYPLLHUBDCLWGG-UHFFFAOYSA-N -1 0 312.413 -0.342 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)[N-]NC(=O)[C@H]2CCCO2)o1 ZINC000032261890 677339704 /nfs/dbraw/zinc/33/97/04/677339704.db2.gz DJMTXXHVDHHAEX-SSDOTTSWSA-N -1 0 317.323 -0.872 20 0 DBADRM CCC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@]2(C)C1 ZINC000993177469 677341510 /nfs/dbraw/zinc/34/15/10/677341510.db2.gz AKCTWKVKAXOAPY-CLAHSXSESA-N -1 0 321.337 -0.387 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)c(C)n1 ZINC000764195841 677341784 /nfs/dbraw/zinc/34/17/84/677341784.db2.gz LQZLFGWBZBDLMR-VIFPVBQESA-N -1 0 319.383 -0.068 20 0 DBADRM Cc1ccc([C@H](CNC(=O)c2cc(=O)[nH][n-]2)N2CCOCC2)o1 ZINC000731866065 677346439 /nfs/dbraw/zinc/34/64/39/677346439.db2.gz QFDRDCMVNQTSMD-LBPRGKRZSA-N -1 0 320.349 -0.047 20 0 DBADRM O=C(Cn1cc(NC(=O)c2cc(=O)[nH][n-]2)cn1)NC1CCCC1 ZINC000731873110 677346472 /nfs/dbraw/zinc/34/64/72/677346472.db2.gz XHGBBNYUMVEOOA-UHFFFAOYSA-N -1 0 318.337 -0.244 20 0 DBADRM COc1ccc(CNC(=O)CNC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000731871914 677346515 /nfs/dbraw/zinc/34/65/15/677346515.db2.gz UWYZLELVXFYFJN-UHFFFAOYSA-N -1 0 304.306 -0.697 20 0 DBADRM O=C(CN1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1)N1CCCCC1 ZINC000731865179 677346527 /nfs/dbraw/zinc/34/65/27/677346527.db2.gz HRFUWVFEEMWHCA-UHFFFAOYSA-N -1 0 321.381 -0.981 20 0 DBADRM O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1cc(=O)[nH][n-]1 ZINC000731870051 677346563 /nfs/dbraw/zinc/34/65/63/677346563.db2.gz JFVVGTVEQOUWIC-ZDUSSCGKSA-N -1 0 312.395 -0.814 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(=O)[nH][n-]1 ZINC000731866592 677346980 /nfs/dbraw/zinc/34/69/80/677346980.db2.gz PPBRXXLJQQLRJF-CYBMUJFWSA-N -1 0 316.361 -0.121 20 0 DBADRM C[C@H]1NC(C(=O)NCc2nnn[n-]2)=NN(c2ccccc2)C1=O ZINC000731887878 677347435 /nfs/dbraw/zinc/34/74/35/677347435.db2.gz PPXIXFUSZWBOEZ-MRVPVSSYSA-N -1 0 314.309 -0.846 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)OC ZINC000731962302 677349116 /nfs/dbraw/zinc/34/91/16/677349116.db2.gz IHSGTJDJSJUJDB-LDYMZIIASA-N -1 0 321.337 -0.225 20 0 DBADRM COc1ncnc(OC)c1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732089236 677350506 /nfs/dbraw/zinc/35/05/06/677350506.db2.gz MABQZBVUWFRQHD-ZETCQYMHSA-N -1 0 321.297 -0.779 20 0 DBADRM Cc1nnnn1C(=Cc1ccccc1)C(=O)NCc1nnn[n-]1 ZINC000732157978 677351760 /nfs/dbraw/zinc/35/17/60/677351760.db2.gz NRBXNIDFXHLUMQ-XFFZJAGNSA-N -1 0 311.309 -0.191 20 0 DBADRM CNS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)[nH][n-]2)s1 ZINC000732263831 677352359 /nfs/dbraw/zinc/35/23/59/677352359.db2.gz VYSWHMMXCSNNQM-UHFFFAOYSA-N -1 0 316.364 -0.852 20 0 DBADRM NS(=O)(=O)CCCNC(=O)c1n[n-]c2ccccc2c1=O ZINC000732275801 677352800 /nfs/dbraw/zinc/35/28/00/677352800.db2.gz PBJSQLCJSROWAZ-UHFFFAOYSA-N -1 0 310.335 -0.256 20 0 DBADRM CCn1cc(CC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001031238675 677359411 /nfs/dbraw/zinc/35/94/11/677359411.db2.gz JWTAIPWNMTVHQS-UHFFFAOYSA-N -1 0 305.342 -0.730 20 0 DBADRM CC(C)CCS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000732511884 677362444 /nfs/dbraw/zinc/36/24/44/677362444.db2.gz IOCNJFIVIARLPQ-UHFFFAOYSA-N -1 0 303.340 -0.408 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cn(-c2ccccc2)nn1 ZINC000732520587 677363688 /nfs/dbraw/zinc/36/36/88/677363688.db2.gz BVPNXPUIOCMKDJ-UHFFFAOYSA-N -1 0 310.335 -0.027 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cccc(OCC(N)=O)c1 ZINC000732521759 677363992 /nfs/dbraw/zinc/36/39/92/677363992.db2.gz RCWNXJDTHWIMPC-UHFFFAOYSA-N -1 0 316.335 -0.743 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1cccs1 ZINC000732524032 677364001 /nfs/dbraw/zinc/36/40/01/677364001.db2.gz KQCGGZCJDBRSPJ-QMMMGPOBSA-N -1 0 320.392 -0.041 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CCOC)C1 ZINC000732523304 677364118 /nfs/dbraw/zinc/36/41/18/677364118.db2.gz XIWASERDXUMORX-JTQLQIEISA-N -1 0 306.384 -0.273 20 0 DBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2cc(=O)[nH][n-]2)C1 ZINC000732579276 677365948 /nfs/dbraw/zinc/36/59/48/677365948.db2.gz CWODWJDELNWWKY-VIFPVBQESA-N -1 0 315.333 -0.644 20 0 DBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000732612733 677366270 /nfs/dbraw/zinc/36/62/70/677366270.db2.gz GEZJOMASMYYIAR-UHFFFAOYSA-N -1 0 312.756 -0.416 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000732607016 677366354 /nfs/dbraw/zinc/36/63/54/677366354.db2.gz HRCJGOSTRUILJM-UHFFFAOYSA-N -1 0 305.356 -0.437 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000732606076 677366441 /nfs/dbraw/zinc/36/64/41/677366441.db2.gz YZKVLMMYBAZNQA-UHFFFAOYSA-N -1 0 321.380 -0.832 20 0 DBADRM CC(C)(C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1c[nH]cn1 ZINC001031260761 677370127 /nfs/dbraw/zinc/37/01/27/677370127.db2.gz INWVLSXVLPIYHA-UHFFFAOYSA-N -1 0 305.342 -0.488 20 0 DBADRM CC1(C(=O)NC2CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 ZINC000993614688 677383168 /nfs/dbraw/zinc/38/31/68/677383168.db2.gz ZRDOSGSGULHAFD-UHFFFAOYSA-N -1 0 316.321 -0.842 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000993676297 677384684 /nfs/dbraw/zinc/38/46/84/677384684.db2.gz XAKZCWTVDFHSMZ-IUCAKERBSA-N -1 0 320.357 -0.280 20 0 DBADRM C[C@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993683934 677384955 /nfs/dbraw/zinc/38/49/55/677384955.db2.gz BRLIJKMWYDNXSO-XPORZQOISA-N -1 0 321.381 -0.128 20 0 DBADRM C[C@@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994104417 677406328 /nfs/dbraw/zinc/40/63/28/677406328.db2.gz UXQDTPMLGIGNNH-NXEZZACHSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994104424 677406473 /nfs/dbraw/zinc/40/64/73/677406473.db2.gz UXQDTPMLGIGNNH-ZJUUUORDSA-N -1 0 319.369 -0.055 20 0 DBADRM Cn1[n-]nnc1=NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000732983134 677408279 /nfs/dbraw/zinc/40/82/79/677408279.db2.gz YFTUORKJVSPPJR-UHFFFAOYSA-N -1 0 310.330 -0.692 20 0 DBADRM O=C(C[C@@H]1CCCCC(=O)N1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031310587 677413479 /nfs/dbraw/zinc/41/34/79/677413479.db2.gz DRRMGWIJTHHIMQ-VIFPVBQESA-N -1 0 322.369 -0.740 20 0 DBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c1=O ZINC000153835904 677413937 /nfs/dbraw/zinc/41/39/37/677413937.db2.gz JMQKDQVONRYKBP-UHFFFAOYSA-N -1 0 314.298 -0.774 20 0 DBADRM CC(C)C(=O)N[N-]C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000032673798 677414043 /nfs/dbraw/zinc/41/40/43/677414043.db2.gz FYFPWFXSVWZKMF-UHFFFAOYSA-N -1 0 319.321 -0.951 20 0 DBADRM Cc1cccnc1CN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001031314586 677416585 /nfs/dbraw/zinc/41/65/85/677416585.db2.gz AGWAAMTYRNNMQR-UHFFFAOYSA-N -1 0 318.337 -0.607 20 0 DBADRM Cc1cnc([C@@H](C)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001031315136 677416729 /nfs/dbraw/zinc/41/67/29/677416729.db2.gz VUVMXLHQWBMKLT-MRVPVSSYSA-N -1 0 322.325 -0.453 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(CC[C@@H]2CCCO2)C1 ZINC001031315188 677416863 /nfs/dbraw/zinc/41/68/63/677416863.db2.gz YEWAEHKSGQQYQS-JTQLQIEISA-N -1 0 311.342 -0.941 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1COc2c(cccc2OC)C1 ZINC000916623591 677417963 /nfs/dbraw/zinc/41/79/63/677417963.db2.gz AGKDMBGZKUAYFK-JTQLQIEISA-N -1 0 309.322 -0.025 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000994360353 677423377 /nfs/dbraw/zinc/42/33/77/677423377.db2.gz AIAHHZKMTQFDDQ-ZJUUUORDSA-N -1 0 320.357 -0.729 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000994528741 677443252 /nfs/dbraw/zinc/44/32/52/677443252.db2.gz HBKXNGVJEPLCEN-DTWKUNHWSA-N -1 0 321.341 -0.015 20 0 DBADRM Cc1cc(=O)[nH]c(C)c1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031422213 677447530 /nfs/dbraw/zinc/44/75/30/677447530.db2.gz PLKVGTAZNSPXRT-UHFFFAOYSA-N -1 0 318.337 -0.158 20 0 DBADRM C[C@H](C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)N1CCCCC1=O ZINC001031428685 677448317 /nfs/dbraw/zinc/44/83/17/677448317.db2.gz REHKMIMECQCQFX-SECBINFHSA-N -1 0 322.369 -0.788 20 0 DBADRM COC1(OC)CCCC[C@H]1NS(=O)(=O)[C@@H]1COC[C@H]1O ZINC000918060483 677451952 /nfs/dbraw/zinc/45/19/52/677451952.db2.gz CSFLJERSSXUUGO-GMTAPVOTSA-N -1 0 309.384 -0.403 20 0 DBADRM COC1(OC)CCCC[C@@H]1NS(=O)(=O)[C@@H]1COC[C@H]1O ZINC000918060484 677452021 /nfs/dbraw/zinc/45/20/21/677452021.db2.gz CSFLJERSSXUUGO-MXWKQRLJSA-N -1 0 309.384 -0.403 20 0 DBADRM COc1ccc(OC)c([C@@H](O)CNC(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000918322360 677454752 /nfs/dbraw/zinc/45/47/52/677454752.db2.gz WAEVWGIHBHKZOH-VIFPVBQESA-N -1 0 308.294 -0.009 20 0 DBADRM CCOc1cccnc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031496308 677458684 /nfs/dbraw/zinc/45/86/84/677458684.db2.gz WLGFUXKZOSABDE-UHFFFAOYSA-N -1 0 318.337 -0.082 20 0 DBADRM C[C@@H](O)[C@@H](NS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-] ZINC000918741122 677461415 /nfs/dbraw/zinc/46/14/15/677461415.db2.gz SGFFMDNCLOAXJR-LHLIQPBNSA-N -1 0 315.303 -0.531 20 0 DBADRM CCc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001031555258 677467187 /nfs/dbraw/zinc/46/71/87/677467187.db2.gz KSMACZRORHPXAS-UHFFFAOYSA-N -1 0 305.342 -0.342 20 0 DBADRM Cc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001031568568 677470764 /nfs/dbraw/zinc/47/07/64/677470764.db2.gz KCOCHXSFNJOAIK-UHFFFAOYSA-N -1 0 305.342 -0.586 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccncc1F ZINC001031592327 677475802 /nfs/dbraw/zinc/47/58/02/677475802.db2.gz HDQKZQYIRDLCCV-UHFFFAOYSA-N -1 0 306.301 -0.094 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)[N-]S(=O)(=O)N1CCCC1 ZINC000919670456 677478634 /nfs/dbraw/zinc/47/86/34/677478634.db2.gz YVTIMLKHYIYCOA-UHFFFAOYSA-N -1 0 317.367 -0.628 20 0 DBADRM O=C(C[C@H]1CCS(=O)(=O)C1)[N-]S(=O)(=O)N1CCCCC1 ZINC000919672665 677479128 /nfs/dbraw/zinc/47/91/28/677479128.db2.gz WGWSVOSSORVWQE-SNVBAGLBSA-N -1 0 324.424 -0.342 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(Cc3cnnn3C)C2)c1[O-] ZINC001031617832 677480977 /nfs/dbraw/zinc/48/09/77/677480977.db2.gz RIHYUYJERIEOMA-UHFFFAOYSA-N -1 0 305.342 -0.586 20 0 DBADRM Cc1noc(CN2CC(CNC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001031617905 677481126 /nfs/dbraw/zinc/48/11/26/677481126.db2.gz UPGPUDVCHQUGQL-UHFFFAOYSA-N -1 0 306.326 -0.023 20 0 DBADRM C[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031638023 677488584 /nfs/dbraw/zinc/48/85/84/677488584.db2.gz REWXOLVBVDJSJA-ONGXEEELSA-N -1 0 309.370 -0.127 20 0 DBADRM CCn1ccnc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031636895 677488833 /nfs/dbraw/zinc/48/88/33/677488833.db2.gz CYSVKXKVBJDMJS-UHFFFAOYSA-N -1 0 305.342 -0.412 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCCOCC1 ZINC001031640634 677489246 /nfs/dbraw/zinc/48/92/46/677489246.db2.gz DQBLVIBPXYXNRW-NSHDSACASA-N -1 0 309.370 -0.125 20 0 DBADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)CS(C)(=O)=O ZINC000920105059 677490441 /nfs/dbraw/zinc/49/04/41/677490441.db2.gz FWHWBGOJYIONAU-UHFFFAOYSA-N -1 0 320.392 -0.476 20 0 DBADRM COc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)ncn1 ZINC001031674755 677497461 /nfs/dbraw/zinc/49/74/61/677497461.db2.gz SSASEDTWRGGTSI-UHFFFAOYSA-N -1 0 319.325 -0.829 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000921405438 677504034 /nfs/dbraw/zinc/50/40/34/677504034.db2.gz QUJUXPYLBHKQBS-SECBINFHSA-N -1 0 311.317 -0.224 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000921493424 677505634 /nfs/dbraw/zinc/50/56/34/677505634.db2.gz NWFKDTHUKLFUOG-NWDGAFQWSA-N -1 0 314.386 -0.393 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC000994722596 677506008 /nfs/dbraw/zinc/50/60/08/677506008.db2.gz YFBBARSFOFYBRP-GXSJLCMTSA-N -1 0 319.369 -0.068 20 0 DBADRM CCS(=O)(=O)CCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000233830352 677512301 /nfs/dbraw/zinc/51/23/01/677512301.db2.gz OSSDLGYCXSPGQD-UHFFFAOYSA-N -1 0 310.353 -0.574 20 0 DBADRM O=C(/C=C\C1CC1)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938349286 677515946 /nfs/dbraw/zinc/51/59/46/677515946.db2.gz CURYZHWRQQTCCH-TYRPZCRBSA-N -1 0 319.321 -0.420 20 0 DBADRM CC[C@H](F)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938350349 677516531 /nfs/dbraw/zinc/51/65/31/677516531.db2.gz SHFYMHXCCKTPME-BQBZGAKWSA-N -1 0 313.289 -0.638 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC000938388066 677519812 /nfs/dbraw/zinc/51/98/12/677519812.db2.gz JNVSRZKFICSEFX-DTWKUNHWSA-N -1 0 321.337 -0.794 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC000938388067 677520026 /nfs/dbraw/zinc/52/00/26/677520026.db2.gz JNVSRZKFICSEFX-IUCAKERBSA-N -1 0 321.337 -0.794 20 0 DBADRM CCC(=O)N(C)[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000938833148 677557256 /nfs/dbraw/zinc/55/72/56/677557256.db2.gz KGQYWVCCPCUWBP-VIFPVBQESA-N -1 0 323.353 -0.315 20 0 DBADRM CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938942859 677564097 /nfs/dbraw/zinc/56/40/97/677564097.db2.gz MZEVXHGYJMDUMF-VIFPVBQESA-N -1 0 321.337 -0.244 20 0 DBADRM CN(C(=O)C(F)F)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938987359 677566301 /nfs/dbraw/zinc/56/63/01/677566301.db2.gz ICRYDJQUDHXMLO-ZCFIWIBFSA-N -1 0 319.268 -0.986 20 0 DBADRM CCC(=O)N[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000938995354 677568365 /nfs/dbraw/zinc/56/83/65/677568365.db2.gz BOGSPGFTTKODBR-MRVPVSSYSA-N -1 0 309.326 -0.658 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000939030990 677570988 /nfs/dbraw/zinc/57/09/88/677570988.db2.gz UJTDGVHJIUYCTP-SECBINFHSA-N -1 0 309.326 -0.794 20 0 DBADRM O=C(CC1CC1)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000939055628 677573485 /nfs/dbraw/zinc/57/34/85/677573485.db2.gz GJGGWHIJMLNFNR-MRVPVSSYSA-N -1 0 307.310 -0.586 20 0 DBADRM CC(F)(F)C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000939089063 677576497 /nfs/dbraw/zinc/57/64/97/677576497.db2.gz IBMHQGUXNBRKGC-RXMQYKEDSA-N -1 0 317.252 -0.731 20 0 DBADRM Cc1c[nH]c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC000939288293 677592357 /nfs/dbraw/zinc/59/23/57/677592357.db2.gz ZARMZFFRUYARME-PSASIEDQSA-N -1 0 319.369 -0.610 20 0 DBADRM NC(=O)c1ccc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001031832665 677616467 /nfs/dbraw/zinc/61/64/67/677616467.db2.gz SLBLGQIBJVIKFX-UHFFFAOYSA-N -1 0 320.309 -0.936 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)Cc3cc[nH]n3)C2)c1[O-] ZINC000939829602 677634314 /nfs/dbraw/zinc/63/43/14/677634314.db2.gz WRUJVVUXRUDSHA-SNVBAGLBSA-N -1 0 318.337 -0.280 20 0 DBADRM O=C(CC1CCC1)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000939878166 677638013 /nfs/dbraw/zinc/63/80/13/677638013.db2.gz FQGROLUBERBLQP-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cncn3C)C2)c1[O-] ZINC000995020787 677639233 /nfs/dbraw/zinc/63/92/33/677639233.db2.gz VSUWMFAKPOKBIX-UHFFFAOYSA-N -1 0 304.310 -0.588 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)c1[O-] ZINC000940026848 677644406 /nfs/dbraw/zinc/64/44/06/677644406.db2.gz KZOFMHJZDNQWJK-SSDOTTSWSA-N -1 0 305.298 -0.814 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)c1[O-] ZINC000940047479 677645573 /nfs/dbraw/zinc/64/55/73/677645573.db2.gz JNIZFUHIPKZCOW-SSDOTTSWSA-N -1 0 305.298 -0.814 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3ccn(C)n3)C2)c1[O-] ZINC000940047399 677645603 /nfs/dbraw/zinc/64/56/03/677645603.db2.gz FSAILXYJYBGGDV-SECBINFHSA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(N)=O)CC2(C)C)c1[O-] ZINC000940680780 677708476 /nfs/dbraw/zinc/70/84/76/677708476.db2.gz MCBOCMVWVFVPTP-SECBINFHSA-N -1 0 309.370 -0.261 20 0 DBADRM CO[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@H]1NC(C)=O ZINC000940905281 677726300 /nfs/dbraw/zinc/72/63/00/677726300.db2.gz JKCYPKNFVGEHHV-MWLCHTKSSA-N -1 0 320.305 -0.096 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CCN(C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000941294949 677774855 /nfs/dbraw/zinc/77/48/55/677774855.db2.gz DMYUJLCIOAYEDB-CMPLNLGQSA-N -1 0 320.397 -0.505 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)Cn3ccnc3)C2)c1[O-] ZINC000941302787 677776802 /nfs/dbraw/zinc/77/68/02/677776802.db2.gz UMXUCQOMKQVEIB-SNVBAGLBSA-N -1 0 318.337 -0.349 20 0 DBADRM CC(=O)N1CC[C@H](C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)C1 ZINC000941446368 677805419 /nfs/dbraw/zinc/80/54/19/677805419.db2.gz OOHQRANAXXDGFK-WDEREUQCSA-N -1 0 320.353 -0.996 20 0 DBADRM CCn1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)nn1 ZINC000941446234 677805539 /nfs/dbraw/zinc/80/55/39/677805539.db2.gz IXKDVWAMPPXQLG-MRVPVSSYSA-N -1 0 304.314 -0.939 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)c1cn[nH]n1 ZINC000941446604 677805550 /nfs/dbraw/zinc/80/55/50/677805550.db2.gz ZUKBDEFITLEBFF-FFTDAGLJSA-N -1 0 317.349 -0.441 20 0 DBADRM COCc1nc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)co1 ZINC000941446382 677805738 /nfs/dbraw/zinc/80/57/38/677805738.db2.gz PFSANAXNUXDWQD-MRVPVSSYSA-N -1 0 320.309 -0.416 20 0 DBADRM CCc1n[nH]cc1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000995155381 677815909 /nfs/dbraw/zinc/81/59/09/677815909.db2.gz OVTOOVGPKINBNW-UHFFFAOYSA-N -1 0 318.337 -0.036 20 0 DBADRM CC(C)(C)C(=O)N1CCN(C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000941646978 677837163 /nfs/dbraw/zinc/83/71/63/677837163.db2.gz VSZUSPZIWOJKOQ-UHFFFAOYSA-N -1 0 322.413 -0.115 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3csnn3)C2)c1[O-] ZINC000941742058 677845333 /nfs/dbraw/zinc/84/53/33/677845333.db2.gz IVBHYWCFJSEBNI-SSDOTTSWSA-N -1 0 322.350 -0.080 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)C1=COCCO1 ZINC000941763920 677846491 /nfs/dbraw/zinc/84/64/91/677846491.db2.gz HZMDVNXNVOSEHJ-VHSXEESVSA-N -1 0 323.353 -0.275 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)C1=COCCO1 ZINC000941763917 677846642 /nfs/dbraw/zinc/84/66/42/677846642.db2.gz HZMDVNXNVOSEHJ-NXEZZACHSA-N -1 0 323.353 -0.275 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCCCC(=O)N1 ZINC001031971920 677847612 /nfs/dbraw/zinc/84/76/12/677847612.db2.gz YMWOLSZBTQDXSL-JTQLQIEISA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cnccn1 ZINC000941770357 677848763 /nfs/dbraw/zinc/84/87/63/677848763.db2.gz XJLWYWPVVSPHMY-NXEZZACHSA-N -1 0 317.353 -0.059 20 0 DBADRM Cc1cc(C)n([C@@H](C)C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)n1 ZINC000995177647 677853182 /nfs/dbraw/zinc/85/31/82/677853182.db2.gz AXLWKPOWVZYNCN-JTQLQIEISA-N -1 0 317.353 -0.180 20 0 DBADRM Cc1cc(C)n([C@H](C)C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)n1 ZINC000995177649 677853214 /nfs/dbraw/zinc/85/32/14/677853214.db2.gz AXLWKPOWVZYNCN-SNVBAGLBSA-N -1 0 317.353 -0.180 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)Cn1cccn1 ZINC000941817940 677853969 /nfs/dbraw/zinc/85/39/69/677853969.db2.gz DPIJHILEUFZGIH-QWRGUYRKSA-N -1 0 319.369 -0.266 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cn[nH]c1 ZINC000941849398 677857095 /nfs/dbraw/zinc/85/70/95/677857095.db2.gz FBNQXYIZGJXPEQ-PSASIEDQSA-N -1 0 305.342 -0.126 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC000941933906 677864694 /nfs/dbraw/zinc/86/46/94/677864694.db2.gz GPGMVUWWFLQKBD-HMDXOVGESA-N -1 0 321.337 -0.627 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000941933845 677864819 /nfs/dbraw/zinc/86/48/19/677864819.db2.gz FDCLLOBSQDTKHE-RKDXNWHRSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)CC(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000941934051 677864884 /nfs/dbraw/zinc/86/48/84/677864884.db2.gz JXAPGWATDYZHRA-SECBINFHSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)[C@H]1CC12CC2 ZINC000942512073 677940181 /nfs/dbraw/zinc/94/01/81/677940181.db2.gz YUWUSWKOILJXGN-HTQZYQBOSA-N -1 0 319.321 -0.586 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000942565617 677946223 /nfs/dbraw/zinc/94/62/23/677946223.db2.gz OGQGAANGSBUEPK-ZTVLKNOQSA-N -1 0 321.381 -0.271 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1ccnnc1 ZINC000942977404 677972992 /nfs/dbraw/zinc/97/29/92/677972992.db2.gz JLWMRUXNIRHUCN-GXSJLCMTSA-N -1 0 317.353 -0.059 20 0 DBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)CCc2ccccc2)c1=O ZINC000184884383 678006695 /nfs/dbraw/zinc/00/66/95/678006695.db2.gz WUASBYAGOGVSNF-UHFFFAOYSA-N -1 0 324.362 -0.730 20 0 DBADRM COc1cccc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001032096723 678007938 /nfs/dbraw/zinc/00/79/38/678007938.db2.gz QQIJYZCXRASXRT-UHFFFAOYSA-N -1 0 318.337 -0.224 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)Cc1ncc[nH]1 ZINC000943765546 678016944 /nfs/dbraw/zinc/01/69/44/678016944.db2.gz DDHJIKVOVBOIIW-VHSXEESVSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000943826259 678022741 /nfs/dbraw/zinc/02/27/41/678022741.db2.gz MSHFGMPHSSKGPY-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM CCn1cnc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001032132384 678042919 /nfs/dbraw/zinc/04/29/19/678042919.db2.gz VYWIZCNZINUWOU-UHFFFAOYSA-N -1 0 305.342 -0.412 20 0 DBADRM CCc1nc[nH]c1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032159362 678047659 /nfs/dbraw/zinc/04/76/59/678047659.db2.gz GVTNANVWIKIEPT-UHFFFAOYSA-N -1 0 305.342 -0.342 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2C(=O)c2cn[nH]n2)c1[O-] ZINC000944125189 678057193 /nfs/dbraw/zinc/05/71/93/678057193.db2.gz LABARYSORIHRFX-MRVPVSSYSA-N -1 0 319.325 -0.424 20 0 DBADRM COCC(=O)N1CCO[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000944549134 678098378 /nfs/dbraw/zinc/09/83/78/678098378.db2.gz JFLQUTQCFZCZIR-SECBINFHSA-N -1 0 312.326 -0.973 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032212335 678108323 /nfs/dbraw/zinc/10/83/23/678108323.db2.gz GTZCCWPPBWSLKN-LLVKDONJSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)Cn1cncn1 ZINC000944653577 678111502 /nfs/dbraw/zinc/11/15/02/678111502.db2.gz MTNKPOLVRXMATD-NXEZZACHSA-N -1 0 320.357 -0.871 20 0 DBADRM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000945083800 678141709 /nfs/dbraw/zinc/14/17/09/678141709.db2.gz OCAZTMBHPRRLFD-CBAPKCEASA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C[C@H]2C)c1[O-] ZINC000945224303 678145948 /nfs/dbraw/zinc/14/59/48/678145948.db2.gz GZXDNEUNNAQTJF-VXNVDRBHSA-N -1 0 323.353 -0.734 20 0 DBADRM C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000945312225 678149770 /nfs/dbraw/zinc/14/97/70/678149770.db2.gz SMPMWSVWUCYHGA-RKDXNWHRSA-N -1 0 318.341 -0.786 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)C(N)=O)C2)c1[O-] ZINC000945671896 678170170 /nfs/dbraw/zinc/17/01/70/678170170.db2.gz WKOOSCLYAUPTDS-VXNVDRBHSA-N -1 0 323.353 -0.734 20 0 DBADRM CC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000945694132 678171766 /nfs/dbraw/zinc/17/17/66/678171766.db2.gz GHBXBJPPEQBVOS-SKDRFNHKSA-N -1 0 322.365 -0.137 20 0 DBADRM CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000945817720 678179564 /nfs/dbraw/zinc/17/95/64/678179564.db2.gz ZBOXKYOVNPOWJP-ZJUUUORDSA-N -1 0 323.353 -0.451 20 0 DBADRM CCC(=O)N1CC[C@@H]2[C@H](CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000945816200 678179661 /nfs/dbraw/zinc/17/96/61/678179661.db2.gz RMXGNRVKTKLUQZ-RKDXNWHRSA-N -1 0 321.337 -0.244 20 0 DBADRM CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000945816197 678179704 /nfs/dbraw/zinc/17/97/04/678179704.db2.gz RMXGNRVKTKLUQZ-BDAKNGLRSA-N -1 0 321.337 -0.244 20 0 DBADRM CC(=O)N1CC[C@@H]2[C@H](CCN2C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000945816957 678179910 /nfs/dbraw/zinc/17/99/10/678179910.db2.gz XQFUGQNSJVRRGR-ZYHUDNBSSA-N -1 0 320.349 -0.431 20 0 DBADRM O=C(Cn1cccn1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032278969 678183285 /nfs/dbraw/zinc/18/32/85/678183285.db2.gz UFDTXBCHFOYQOH-UWVGGRQHSA-N -1 0 303.326 -0.808 20 0 DBADRM CC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@@H]21 ZINC000945995307 678190692 /nfs/dbraw/zinc/19/06/92/678190692.db2.gz HDFSTGJKLUCOOB-BDAKNGLRSA-N -1 0 307.310 -0.634 20 0 DBADRM CCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000946055832 678197374 /nfs/dbraw/zinc/19/73/74/678197374.db2.gz FNSPUNYTOSRXDQ-JGVFFNPUSA-N -1 0 309.326 -0.293 20 0 DBADRM CCc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001032289676 678200002 /nfs/dbraw/zinc/20/00/02/678200002.db2.gz HHHLVTHXMPTEKG-UWVGGRQHSA-N -1 0 317.353 -0.105 20 0 DBADRM CC(C)C(=O)N[C@H]1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000946136384 678205533 /nfs/dbraw/zinc/20/55/33/678205533.db2.gz WRLNDBBINQSJRE-IUCAKERBSA-N -1 0 323.353 -0.047 20 0 DBADRM CC(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000995782517 678205821 /nfs/dbraw/zinc/20/58/21/678205821.db2.gz TWVMONHUFLRFTP-UTLUCORTSA-N -1 0 323.353 -0.407 20 0 DBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCc1nnnn1C ZINC000733488078 678222479 /nfs/dbraw/zinc/22/24/79/678222479.db2.gz USPDQZNBSKQLNZ-UHFFFAOYSA-N -1 0 317.309 -0.139 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)COC[C@H]2CCCO2)cn1 ZINC000733677360 678249617 /nfs/dbraw/zinc/24/96/17/678249617.db2.gz AHTYJESKZAVNAP-SECBINFHSA-N -1 0 303.340 -0.579 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)cc1 ZINC000733715796 678253221 /nfs/dbraw/zinc/25/32/21/678253221.db2.gz IZUVJJVHGOLKKJ-QMMMGPOBSA-N -1 0 300.336 -0.120 20 0 DBADRM CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CCOC ZINC000733698927 678254369 /nfs/dbraw/zinc/25/43/69/678254369.db2.gz CCRMZEIQTHIWLV-SNVBAGLBSA-N -1 0 306.384 -0.130 20 0 DBADRM NC(=O)c1csc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1 ZINC000733719286 678255535 /nfs/dbraw/zinc/25/55/35/678255535.db2.gz LDOZKBXTNULJND-ZETCQYMHSA-N -1 0 304.349 -0.305 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C ZINC000733714096 678255879 /nfs/dbraw/zinc/25/58/79/678255879.db2.gz BMFCFYLIJXIVDQ-JGVFFNPUSA-N -1 0 322.412 -0.223 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733721665 678255916 /nfs/dbraw/zinc/25/59/16/678255916.db2.gz CLECRRRAUJJGIE-AXFHLTTASA-N -1 0 307.368 -0.195 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC000733718750 678255920 /nfs/dbraw/zinc/25/59/20/678255920.db2.gz VVAQWQGIQZCYTC-MWLCHTKSSA-N -1 0 306.384 -0.274 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733722002 678256346 /nfs/dbraw/zinc/25/63/46/678256346.db2.gz MTHIEDRLCPOEFA-SECBINFHSA-N -1 0 306.384 -0.226 20 0 DBADRM COc1ncc(C(=O)[N-]S(=O)(=O)N2CCCCC2)cn1 ZINC000734082370 678273510 /nfs/dbraw/zinc/27/35/10/678273510.db2.gz BCPCGIITWSANNV-UHFFFAOYSA-N -1 0 300.340 -0.054 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)COC[C@H]1CCCO1 ZINC000734089295 678274824 /nfs/dbraw/zinc/27/48/24/678274824.db2.gz NQEOGOTYLMERJU-SNVBAGLBSA-N -1 0 323.367 -0.419 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)CCCC(=O)OC ZINC000734090581 678274848 /nfs/dbraw/zinc/27/48/48/678274848.db2.gz XHUYJUPXUQHMAD-MRVPVSSYSA-N -1 0 308.356 -0.700 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)CCCC(=O)OC ZINC000734090583 678274953 /nfs/dbraw/zinc/27/49/53/678274953.db2.gz XHUYJUPXUQHMAD-QMMMGPOBSA-N -1 0 308.356 -0.700 20 0 DBADRM CC(C)[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996737043 678289890 /nfs/dbraw/zinc/28/98/90/678289890.db2.gz RVCAEPNTWOEHMH-RKDXNWHRSA-N -1 0 321.337 -0.485 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996734432 678289976 /nfs/dbraw/zinc/28/99/76/678289976.db2.gz HLLUBEKKZKYUTD-SSDOTTSWSA-N -1 0 307.310 -0.731 20 0 DBADRM CC(F)(F)CC(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996746069 678291061 /nfs/dbraw/zinc/29/10/61/678291061.db2.gz QKBVHOCRLAVCIE-UHFFFAOYSA-N -1 0 317.252 -0.731 20 0 DBADRM O=C(/C=C\C1CC1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996746955 678291579 /nfs/dbraw/zinc/29/15/79/678291579.db2.gz XPZUFTYGZINLEH-ARJAWSKDSA-N -1 0 305.294 -0.810 20 0 DBADRM O=C(CC(F)(F)F)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996746960 678291648 /nfs/dbraw/zinc/29/16/48/678291648.db2.gz XQLGNJQQDAYMQO-UHFFFAOYSA-N -1 0 321.215 -0.824 20 0 DBADRM CC1(C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CCCC1 ZINC000996755974 678292350 /nfs/dbraw/zinc/29/23/50/678292350.db2.gz ZPMYTHVQISSOSQ-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(C[C@@H]1CCOC1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032327448 678302895 /nfs/dbraw/zinc/30/28/95/678302895.db2.gz VAUJSPKHIJLSLW-DCAQKATOSA-N -1 0 307.354 -0.278 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)CCCn1ccccc1=O ZINC000735216045 678321365 /nfs/dbraw/zinc/32/13/65/678321365.db2.gz IRRUEQODNDINEK-UHFFFAOYSA-N -1 0 302.352 -0.279 20 0 DBADRM CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735404538 678325772 /nfs/dbraw/zinc/32/57/72/678325772.db2.gz YAZMZYGDRKNJEU-QMMMGPOBSA-N -1 0 312.347 -0.188 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cccc2nccnc21 ZINC000755707400 678326421 /nfs/dbraw/zinc/32/64/21/678326421.db2.gz MEIUOILJXRSTIJ-UHFFFAOYSA-N -1 0 322.346 -0.063 20 0 DBADRM CO[C@H](C)C(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000788071186 678330347 /nfs/dbraw/zinc/33/03/47/678330347.db2.gz WJKHANDKJWCNFY-RXMQYKEDSA-N -1 0 307.353 -0.059 20 0 DBADRM Cc1nnc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2n[nH]c(C)c2[O-])[nH]1 ZINC001032357686 678344021 /nfs/dbraw/zinc/34/40/21/678344021.db2.gz FGCSRAVAGQWQIT-UWVGGRQHSA-N -1 0 317.353 -0.051 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)OCC ZINC000735771274 678345292 /nfs/dbraw/zinc/34/52/92/678345292.db2.gz FSKUJOMMCZGVBC-ZJUUUORDSA-N -1 0 322.383 -0.200 20 0 DBADRM Cc1nc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)co1 ZINC001032368545 678360475 /nfs/dbraw/zinc/36/04/75/678360475.db2.gz VPXQDMKGRXLQDM-IUCAKERBSA-N -1 0 304.310 -0.094 20 0 DBADRM O=C(C1=CCOCC1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032369593 678362953 /nfs/dbraw/zinc/36/29/53/678362953.db2.gz KDHKPVZBHNBRPP-QWRGUYRKSA-N -1 0 305.338 -0.358 20 0 DBADRM O=C(c1cncnc1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032370164 678368935 /nfs/dbraw/zinc/36/89/35/678368935.db2.gz LZMGEMDDXBCSBQ-UWVGGRQHSA-N -1 0 301.310 -0.601 20 0 DBADRM COCCS(=O)(=O)CC(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000736162725 678372002 /nfs/dbraw/zinc/37/20/02/678372002.db2.gz QSYBFESPTUTZRF-UHFFFAOYSA-N -1 0 317.371 -0.854 20 0 DBADRM CCn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)n1 ZINC001032390877 678390083 /nfs/dbraw/zinc/39/00/83/678390083.db2.gz AXLAYHKSDOIGPW-IUCAKERBSA-N -1 0 318.341 -0.779 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000888318142 678391269 /nfs/dbraw/zinc/39/12/69/678391269.db2.gz FGRAQVROSIWCAT-SECBINFHSA-N -1 0 308.264 -0.107 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000888319869 678392101 /nfs/dbraw/zinc/39/21/01/678392101.db2.gz PTMXYHNRWFDTPS-UHFFFAOYSA-N -1 0 306.301 -0.011 20 0 DBADRM CCC[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)c1nnn[n-]1 ZINC000736430556 678397615 /nfs/dbraw/zinc/39/76/15/678397615.db2.gz WDPLNEYFVCGFSA-QMMMGPOBSA-N -1 0 307.314 -0.903 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997257570 678422981 /nfs/dbraw/zinc/42/29/81/678422981.db2.gz FROTZXPFTHSAKS-SFYZADRCSA-N -1 0 309.326 -0.938 20 0 DBADRM CC[C@@]1(C)C[C@H]1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997258474 678423509 /nfs/dbraw/zinc/42/35/09/678423509.db2.gz PUKVARJTCHDQIV-XPTSAGLGSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000997258934 678423709 /nfs/dbraw/zinc/42/37/09/678423709.db2.gz XNNIUJFDPXUNBX-BRPSZJMVSA-N -1 0 321.337 -0.938 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000888326576 678435977 /nfs/dbraw/zinc/43/59/77/678435977.db2.gz ADQCLXXJAHBPMV-GFCCVEGCSA-N -1 0 323.401 -0.309 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000921610729 678445160 /nfs/dbraw/zinc/44/51/60/678445160.db2.gz CLMQSSRZXBHDDV-MXWKQRLJSA-N -1 0 324.424 -0.114 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000888329482 678463425 /nfs/dbraw/zinc/46/34/25/678463425.db2.gz ARCDMAQBCXZBPQ-UHFFFAOYSA-N -1 0 307.358 -0.409 20 0 DBADRM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N=c1nn[n-]n1CC ZINC000888334727 678465344 /nfs/dbraw/zinc/46/53/44/678465344.db2.gz QSGJVDJGAXQCOI-JTQLQIEISA-N -1 0 309.374 -0.020 20 0 DBADRM Cn1nccc1CCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948596085 678466718 /nfs/dbraw/zinc/46/67/18/678466718.db2.gz MHRTWSODNGHMGQ-UHFFFAOYSA-N -1 0 319.369 -0.479 20 0 DBADRM O=C(c1cn[nH]c1)N1CCC(C[NH2+]Cc2n[nH]c(=O)[n-]2)CC1 ZINC000997573802 678482490 /nfs/dbraw/zinc/48/24/90/678482490.db2.gz LRXYSUKDUPHDPT-UHFFFAOYSA-N -1 0 305.342 -0.125 20 0 DBADRM CC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000946265399 678492770 /nfs/dbraw/zinc/49/27/70/678492770.db2.gz DQUXCIGNJKYVGW-KOLCDFICSA-N -1 0 308.338 -0.480 20 0 DBADRM CC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000946265403 678493154 /nfs/dbraw/zinc/49/31/54/678493154.db2.gz DQUXCIGNJKYVGW-ONGXEEELSA-N -1 0 308.338 -0.480 20 0 DBADRM NC(=O)C(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccccc1O ZINC000946294931 678499551 /nfs/dbraw/zinc/49/95/51/678499551.db2.gz UUYRMESXZAQIDU-ONGXEEELSA-N -1 0 305.334 -0.108 20 0 DBADRM NC(=O)C(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ncccc1O ZINC000946292527 678499555 /nfs/dbraw/zinc/49/95/55/678499555.db2.gz MNTOHSPAJKVDOD-IUCAKERBSA-N -1 0 306.322 -0.713 20 0 DBADRM Cc1cocc1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997834913 678522364 /nfs/dbraw/zinc/52/23/64/678522364.db2.gz SWWCNJWSWHXCHI-UHFFFAOYSA-N -1 0 321.293 -0.768 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@@]3(F)CCOC3)C2)c1[O-] ZINC000998135243 678562561 /nfs/dbraw/zinc/56/25/61/678562561.db2.gz MLMPYGXTYIYYIX-CYBMUJFWSA-N -1 0 312.301 -0.507 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@]3(F)CCOC3)C2)c1[O-] ZINC000998135248 678562744 /nfs/dbraw/zinc/56/27/44/678562744.db2.gz MLMPYGXTYIYYIX-ZDUSSCGKSA-N -1 0 312.301 -0.507 20 0 DBADRM O=C(Cc1ncc[nH]1)NC1CN(C(=O)c2cnc[nH]c2=O)C1 ZINC000998388073 678594057 /nfs/dbraw/zinc/59/40/57/678594057.db2.gz ZFGCGKTZNVOMKE-UHFFFAOYSA-N -1 0 302.294 -0.911 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@@]3(C)CCOC3)C2)c1[O-] ZINC000998405183 678598054 /nfs/dbraw/zinc/59/80/54/678598054.db2.gz BUXVCSUKSMRZBQ-AWEZNQCLSA-N -1 0 308.338 -0.209 20 0 DBADRM O=C(CCc1cn[nH]n1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032636744 678616458 /nfs/dbraw/zinc/61/64/58/678616458.db2.gz UYGXNZPISCFBQG-UWVGGRQHSA-N -1 0 318.341 -0.954 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CC([NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC000998636677 678621963 /nfs/dbraw/zinc/62/19/63/678621963.db2.gz BYJMUPHALFUIRX-UHFFFAOYSA-N -1 0 321.341 -0.360 20 0 DBADRM CN(C(=O)c1ncccc1O)C1CC(NCc2nnnn2C)C1 ZINC000998673037 678625623 /nfs/dbraw/zinc/62/56/23/678625623.db2.gz OJUPHSCMQFGFPD-UHFFFAOYSA-N -1 0 317.353 -0.297 20 0 DBADRM CC[C@@]1(C)C[C@@H]1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000998882599 678652622 /nfs/dbraw/zinc/65/26/22/678652622.db2.gz QUIAVCGDIWMTSP-OTYXRUKQSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC000998951563 678658330 /nfs/dbraw/zinc/65/83/30/678658330.db2.gz DHBPVSUJQWFNNS-MRVPVSSYSA-N -1 0 321.341 -0.358 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](NCc3cnn(C)n3)C2)c1[O-] ZINC000998952033 678658387 /nfs/dbraw/zinc/65/83/87/678658387.db2.gz GLJJFZRPAVGMSM-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM CC1(C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC=CC1 ZINC000999062420 678673630 /nfs/dbraw/zinc/67/36/30/678673630.db2.gz VKDPISVFUKEDNH-UHFFFAOYSA-N -1 0 319.321 -0.420 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cn(C)c(=O)[nH]3)C2)c1[O-] ZINC000999064261 678673828 /nfs/dbraw/zinc/67/38/28/678673828.db2.gz PDNVCYHPGIJJJZ-UHFFFAOYSA-N -1 0 320.309 -0.883 20 0 DBADRM O=C(Cc1cnc[nH]1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032651524 678680737 /nfs/dbraw/zinc/68/07/37/678680737.db2.gz BKTSNGLJKNYCPP-UWVGGRQHSA-N -1 0 303.326 -0.739 20 0 DBADRM O=C(Cc1cscn1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032667135 678691505 /nfs/dbraw/zinc/69/15/05/678691505.db2.gz VANFPIPFYGQKRC-UWVGGRQHSA-N -1 0 320.378 -0.005 20 0 DBADRM CN(C(=O)Cc1cnoc1)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000999283658 678702164 /nfs/dbraw/zinc/70/21/64/678702164.db2.gz QPKIDQBHKFNLOO-UHFFFAOYSA-N -1 0 320.353 -0.582 20 0 DBADRM O=C(CCc1c[nH]cn1)N1CCC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC000999319685 678705901 /nfs/dbraw/zinc/70/59/01/678705901.db2.gz WJEPWRAKLXJUIP-LLVKDONJSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@H](NCc2cnon2)C1 ZINC000999620975 678730918 /nfs/dbraw/zinc/73/09/18/678730918.db2.gz PFRYVCIOJMZZPA-ZETCQYMHSA-N -1 0 321.297 -0.940 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ncccc1Br ZINC000921687740 678755417 /nfs/dbraw/zinc/75/54/17/678755417.db2.gz KYZOKYYNJIPYBC-UHFFFAOYSA-N -1 0 324.156 -0.200 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)CCc1ccc(OC)cc1 ZINC000921687813 678771597 /nfs/dbraw/zinc/77/15/97/678771597.db2.gz LMCHLPQOCYLUDC-UHFFFAOYSA-N -1 0 302.352 -0.165 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1COc2cc(OC)ccc2C1 ZINC000921739045 678827442 /nfs/dbraw/zinc/82/74/42/678827442.db2.gz WGASILDCJYLYPH-SNVBAGLBSA-N -1 0 309.322 -0.025 20 0 DBADRM Cn1[nH]c(C[NH2+][C@@H]2CCCN(C(=O)c3cccnn3)C2)nc1=O ZINC001000517206 678849329 /nfs/dbraw/zinc/84/93/29/678849329.db2.gz OZTFEJOCZBLTSN-SNVBAGLBSA-N -1 0 317.353 -0.707 20 0 DBADRM Cn1[nH]c(C[NH2+][C@@H]2CCCN(C(=O)c3nccs3)C2)nc1=O ZINC001000520663 678849754 /nfs/dbraw/zinc/84/97/54/678849754.db2.gz BFVDXRAGCRNGGP-SECBINFHSA-N -1 0 322.394 -0.041 20 0 DBADRM CC(=O)NCC1CN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC001000597004 678857673 /nfs/dbraw/zinc/85/76/73/678857673.db2.gz JDFSRCGJIJWSKW-UHFFFAOYSA-N -1 0 308.382 -0.031 20 0 DBADRM O=C(NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccco1 ZINC001000663736 678863463 /nfs/dbraw/zinc/86/34/63/678863463.db2.gz RVZKQPBRSJWTKO-UHFFFAOYSA-N -1 0 319.277 -0.622 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H](NCc2ccon2)C1 ZINC001000788041 678869518 /nfs/dbraw/zinc/86/95/18/678869518.db2.gz DLLPRRCEDTVTPS-JTQLQIEISA-N -1 0 322.325 -0.542 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3cnn(C)c3)C2)c1[O-] ZINC001000859515 678876745 /nfs/dbraw/zinc/87/67/45/678876745.db2.gz BCULKLRKHOXJID-UHFFFAOYSA-N -1 0 318.337 -0.341 20 0 DBADRM CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001000913231 678881945 /nfs/dbraw/zinc/88/19/45/678881945.db2.gz KRKJFOKAERDFAV-HLTSFMKQSA-N -1 0 309.326 -0.653 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC1)C2 ZINC001000944110 678882172 /nfs/dbraw/zinc/88/21/72/678882172.db2.gz YJLMZHZKJULCIY-BBBLOLIVSA-N -1 0 321.337 -0.653 20 0 DBADRM CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[n-]n2c1nccc2=O ZINC001000927594 678884411 /nfs/dbraw/zinc/88/44/11/678884411.db2.gz MPGGGHFASMORRV-JLLWLGSASA-N -1 0 315.333 -0.096 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1csnn1 ZINC001001012853 678889445 /nfs/dbraw/zinc/88/94/45/678889445.db2.gz UCVSQSMSFIBTQS-UHFFFAOYSA-N -1 0 321.366 -0.076 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3ccon3)C2)c1[O-] ZINC001001073858 678900513 /nfs/dbraw/zinc/90/05/13/678900513.db2.gz DLMAURGLTHTTKB-UHFFFAOYSA-N -1 0 305.294 -0.086 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1nnc[nH]1 ZINC001001280686 678924179 /nfs/dbraw/zinc/92/41/79/678924179.db2.gz XINSKZPOYWECHE-UHFFFAOYSA-N -1 0 304.314 -0.810 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3cc[nH]n3)C2)c1[O-] ZINC001001456908 678933298 /nfs/dbraw/zinc/93/32/98/678933298.db2.gz VUAVAXIUDXSGPB-UHFFFAOYSA-N -1 0 304.310 -0.351 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)Cn3cccn3)C2)c1[O-] ZINC001001456248 678933536 /nfs/dbraw/zinc/93/35/36/678933536.db2.gz RZWPJNFAGMMKRT-UHFFFAOYSA-N -1 0 318.337 -0.491 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3cnns3)C2)c1[O-] ZINC001001456256 678933574 /nfs/dbraw/zinc/93/35/74/678933574.db2.gz SEJCKJUCSHEAOR-UHFFFAOYSA-N -1 0 322.350 -0.223 20 0 DBADRM O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1nnc[nH]1 ZINC001001952917 678962429 /nfs/dbraw/zinc/96/24/29/678962429.db2.gz OOCKVLLXLCKFPO-UHFFFAOYSA-N -1 0 306.330 -0.730 20 0 DBADRM Cc1nonc1C(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002174813 678971021 /nfs/dbraw/zinc/97/10/21/678971021.db2.gz UHUIJJQLVHJEHM-UHFFFAOYSA-N -1 0 321.341 -0.156 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cc[n+]([O-])cc1 ZINC001002282609 678973675 /nfs/dbraw/zinc/97/36/75/678973675.db2.gz NYWMXAQUWRRCNY-UHFFFAOYSA-N -1 0 318.337 -0.462 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCO[C@H]1CCOC1 ZINC000921879840 678975251 /nfs/dbraw/zinc/97/52/51/678975251.db2.gz FLWWHROECBPVQR-XYZCENFISA-N -1 0 300.402 -0.256 20 0 DBADRM Cc1c(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cnn1C ZINC001002351357 678978142 /nfs/dbraw/zinc/97/81/42/678978142.db2.gz SGAPIPOFNBQFBS-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnsn1 ZINC001002403940 678980192 /nfs/dbraw/zinc/98/01/92/678980192.db2.gz IYEPLCLKHCTKKF-UHFFFAOYSA-N -1 0 309.355 -0.244 20 0 DBADRM COC(=O)[C@H]1C[C@@H]1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002463775 678985023 /nfs/dbraw/zinc/98/50/23/678985023.db2.gz YDHXLPOHBYEASL-UWVGGRQHSA-N -1 0 323.353 -0.600 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCN(Cc3cnnn3C)CC2)c1[O-] ZINC001002616324 678991515 /nfs/dbraw/zinc/99/15/15/678991515.db2.gz YPXOPJANPZRVQK-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCN(Cc3cn(C)nn3)CC2)c1[O-] ZINC001002615704 678991589 /nfs/dbraw/zinc/99/15/89/678991589.db2.gz SQHOEQVKGWIZBT-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1nnc(CC(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)o1 ZINC001002746524 678999876 /nfs/dbraw/zinc/99/98/76/678999876.db2.gz SBJACSJKIJCYAA-UHFFFAOYSA-N -1 0 321.341 -0.475 20 0 DBADRM CC(=O)N(C)C[C@@H]1CCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001002760380 679000718 /nfs/dbraw/zinc/00/07/18/679000718.db2.gz XGJGPHMERFPBSB-JTQLQIEISA-N -1 0 308.338 -0.431 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3cncn3C)C2)c1[O-] ZINC001002992652 679015245 /nfs/dbraw/zinc/01/52/45/679015245.db2.gz JXUNVNOAGAUXIV-UHFFFAOYSA-N -1 0 318.337 -0.341 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCCNC1=O ZINC001003070974 679021767 /nfs/dbraw/zinc/02/17/67/679021767.db2.gz HNEPBTLQNFOCBL-JTQLQIEISA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCC(=O)NC1 ZINC001003225080 679028465 /nfs/dbraw/zinc/02/84/65/679028465.db2.gz GRNZEIZRMCMTOW-VIFPVBQESA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(NC1CCN(Cc2ccon2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001003248467 679030817 /nfs/dbraw/zinc/03/08/17/679030817.db2.gz IXVZBRHXVRRSGD-UHFFFAOYSA-N -1 0 320.309 -0.335 20 0 DBADRM O=C(NCC1CN(C(=O)[C@H]2CC23CC3)C1)c1n[nH]c(=O)[n-]c1=O ZINC001003392536 679037515 /nfs/dbraw/zinc/03/75/15/679037515.db2.gz ZAZFFOIIWPNGCE-MRVPVSSYSA-N -1 0 319.321 -0.729 20 0 DBADRM Cc1n[nH]cc1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003406212 679038488 /nfs/dbraw/zinc/03/84/88/679038488.db2.gz NBCMKKVUVLUINX-UHFFFAOYSA-N -1 0 305.342 -0.064 20 0 DBADRM CCCC(=O)N1CC(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001003549521 679048434 /nfs/dbraw/zinc/04/84/34/679048434.db2.gz WUSSYFVXNHPMPJ-UHFFFAOYSA-N -1 0 308.338 -0.526 20 0 DBADRM CN(C(=O)c1cnccn1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032882718 679072640 /nfs/dbraw/zinc/07/26/40/679072640.db2.gz FZYYREBQLBAXNH-SECBINFHSA-N -1 0 303.326 -0.353 20 0 DBADRM CN(C(=O)c1cc[n+]([O-])cc1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032890299 679073224 /nfs/dbraw/zinc/07/32/24/679073224.db2.gz KOJFRKDOZIBQKA-LLVKDONJSA-N -1 0 318.337 -0.510 20 0 DBADRM Cc1nonc1CC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003884240 679081267 /nfs/dbraw/zinc/08/12/67/679081267.db2.gz PFAXYVLABKRDPV-UHFFFAOYSA-N -1 0 321.341 -0.475 20 0 DBADRM Cc1ncncc1C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032933749 679083327 /nfs/dbraw/zinc/08/33/27/679083327.db2.gz BBBYEVTXMYDBRY-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM CN(C(=O)c1nccnc1N)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032964675 679088552 /nfs/dbraw/zinc/08/85/52/679088552.db2.gz JQGHTSRYLTZWKQ-QMMMGPOBSA-N -1 0 318.341 -0.771 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN([C@@H]3CCNC3=O)C2)c1[O-] ZINC001033008416 679097694 /nfs/dbraw/zinc/09/76/94/679097694.db2.gz FXXODKWVJGOEQG-NXEZZACHSA-N -1 0 307.354 -0.541 20 0 DBADRM C[C@H](C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001033018959 679100504 /nfs/dbraw/zinc/10/05/04/679100504.db2.gz CEFXMAMMWDFQJQ-ZJUUUORDSA-N -1 0 320.357 -0.604 20 0 DBADRM CC(=O)N1CC(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001033039082 679106991 /nfs/dbraw/zinc/10/69/91/679106991.db2.gz YCAWPLHHMRCMDW-NSHDSACASA-N -1 0 322.369 -0.979 20 0 DBADRM CN(C(=O)Cc1ccnn1C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033046505 679110335 /nfs/dbraw/zinc/11/03/35/679110335.db2.gz KFOANZAEIUMDCN-NSHDSACASA-N -1 0 319.369 -0.481 20 0 DBADRM CCC(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC[C@@H]1C ZINC001004267267 679119617 /nfs/dbraw/zinc/11/96/17/679119617.db2.gz NXWKDCNLGOBBNT-GXSJLCMTSA-N -1 0 322.365 -0.137 20 0 DBADRM CCC(=O)N[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC[C@H]1C ZINC001004267268 679119659 /nfs/dbraw/zinc/11/96/59/679119659.db2.gz NXWKDCNLGOBBNT-KOLCDFICSA-N -1 0 322.365 -0.137 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)OCCn1cnc(Br)n1 ZINC001593916875 956028584 /nfs/dbraw/zinc/02/85/84/956028584.db2.gz AQRGNHYIYHISFB-RXMQYKEDSA-N -1 0 308.088 -0.317 20 0 DBADRM COc1ccc(CCS(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC000841782819 805577261 /nfs/dbraw/zinc/57/72/61/805577261.db2.gz IYCFPOYKIRINBC-ZDUSSCGKSA-N -1 0 317.363 -0.007 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000841782751 805577470 /nfs/dbraw/zinc/57/74/70/805577470.db2.gz BWEXADPJBVGUAT-VIFPVBQESA-N -1 0 312.706 -0.012 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001295699321 805584607 /nfs/dbraw/zinc/58/46/07/805584607.db2.gz DSTFSDNXUWJQEJ-BNFOFFDWSA-N -1 0 323.353 -0.380 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)N(C)CCOC)CC1=O ZINC000842319035 805589821 /nfs/dbraw/zinc/58/98/21/805589821.db2.gz LKEBSTVQHDOHOV-SNVBAGLBSA-N -1 0 321.399 -0.816 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)N2CCCC2)CC1=O ZINC000842293887 805589829 /nfs/dbraw/zinc/58/98/29/805589829.db2.gz XKDAXROUKDPXOT-JTQLQIEISA-N -1 0 303.384 -0.298 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000842332535 805590507 /nfs/dbraw/zinc/59/05/07/805590507.db2.gz WOUFZFDXILXGRY-MRVPVSSYSA-N -1 0 323.367 -0.027 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CNC(=O)CCC(C)C ZINC000842356531 805590616 /nfs/dbraw/zinc/59/06/16/805590616.db2.gz KAXSLKZEGSIJTR-UHFFFAOYSA-N -1 0 322.383 -0.452 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)C[C@H](C)OC)CC1=O ZINC000842349868 805590765 /nfs/dbraw/zinc/59/07/65/805590765.db2.gz QCFYSNATKIWWPV-UWVGGRQHSA-N -1 0 306.384 -0.274 20 0 DBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)CC1=O ZINC000842349866 805590921 /nfs/dbraw/zinc/59/09/21/805590921.db2.gz QCFYSNATKIWWPV-NXEZZACHSA-N -1 0 306.384 -0.274 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)CCC(=O)OC)CC1=O ZINC000842355188 805590966 /nfs/dbraw/zinc/59/09/66/805590966.db2.gz DRGVDTJJHLVSRP-VIFPVBQESA-N -1 0 320.367 -0.746 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)OC)C1 ZINC000842329240 805590976 /nfs/dbraw/zinc/59/09/76/805590976.db2.gz BVIYZHCGOAJKTH-BDAKNGLRSA-N -1 0 321.351 -0.415 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)C(=O)OC(C)(C)C ZINC000842334215 805591003 /nfs/dbraw/zinc/59/10/03/805591003.db2.gz QAOHPSFGMGBECN-YUMQZZPRSA-N -1 0 323.367 -0.028 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cc(C)[nH]c(=O)c1 ZINC000842354833 805591087 /nfs/dbraw/zinc/59/10/87/805591087.db2.gz ANPCXDJSVCJMLE-UHFFFAOYSA-N -1 0 302.308 -0.282 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)C[C@H]2CCC(=O)N2)ccc1[O-] ZINC001295841110 805594254 /nfs/dbraw/zinc/59/42/54/805594254.db2.gz SYJKYSXBVKHIDS-MRVPVSSYSA-N -1 0 313.335 -0.353 20 0 DBADRM CC(C)CCS(=O)(=O)[N-]C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000842713792 805597097 /nfs/dbraw/zinc/59/70/97/805597097.db2.gz FAYQMZGTKNYDOX-SECBINFHSA-N -1 0 312.413 -0.488 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C2(F)CC2)CC1 ZINC000842697702 805597270 /nfs/dbraw/zinc/59/72/70/805597270.db2.gz QUOJELJFQUJNDN-UHFFFAOYSA-N -1 0 308.331 -0.266 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cc[n+]([O-])cc1 ZINC000842705797 805597378 /nfs/dbraw/zinc/59/73/78/805597378.db2.gz XUUIFMIZCCETIU-NSHDSACASA-N -1 0 300.336 -0.051 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C12CC(C(=O)OC)(C1)C2 ZINC000842735326 805597974 /nfs/dbraw/zinc/59/79/74/805597974.db2.gz OKBZXLKSJFDVCU-UHFFFAOYSA-N -1 0 320.367 -0.731 20 0 DBADRM COC1(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)CC1 ZINC000842715930 805598088 /nfs/dbraw/zinc/59/80/88/805598088.db2.gz NOHCXGCKEJQAAJ-UHFFFAOYSA-N -1 0 304.349 -0.169 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nc(C2CC2)nn1C ZINC000842717560 805598200 /nfs/dbraw/zinc/59/82/00/805598200.db2.gz WQUPBNYLLXFOKW-QMMMGPOBSA-N -1 0 316.383 -0.284 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1nc(C2CC2)nn1C ZINC000842717559 805598650 /nfs/dbraw/zinc/59/86/50/805598650.db2.gz WQUPBNYLLXFOKW-MRVPVSSYSA-N -1 0 316.383 -0.284 20 0 DBADRM CC1(C)Cc2cc(C(=O)[N-]S(=O)(=O)CC(N)=O)ccc2O1 ZINC000842753323 805599042 /nfs/dbraw/zinc/59/90/42/805599042.db2.gz DOXFEKIAWDNDGW-UHFFFAOYSA-N -1 0 312.347 -0.055 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)CC(N)=O)CCCC1 ZINC000842755477 805599459 /nfs/dbraw/zinc/59/94/59/805599459.db2.gz ZQYWABGULGXAFM-UHFFFAOYSA-N -1 0 306.340 -0.959 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCCO2 ZINC000842754690 805599469 /nfs/dbraw/zinc/59/94/69/805599469.db2.gz SSNRZHHILPTLDO-UHFFFAOYSA-N -1 0 312.347 -0.515 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)C1 ZINC000842763752 805600381 /nfs/dbraw/zinc/60/03/81/805600381.db2.gz CEDIQHJYTPBFGR-VGMNWLOBSA-N -1 0 305.352 -0.001 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc[n+]([O-])cc1 ZINC000842763824 805600402 /nfs/dbraw/zinc/60/04/02/805600402.db2.gz CSELTCVKJLRSFU-IUCAKERBSA-N -1 0 316.335 -0.423 20 0 DBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)C[C@H]3CCCO3)(C1)C2 ZINC000842755977 805600479 /nfs/dbraw/zinc/60/04/79/805600479.db2.gz YDQSFERDVZPPLF-UHEGKEBESA-N -1 0 317.363 -0.045 20 0 DBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)[C@@H]1CCCN1C(=O)C1CC1 ZINC000842770759 805600645 /nfs/dbraw/zinc/60/06/45/805600645.db2.gz AEVDKHFCOIWGQZ-VIFPVBQESA-N -1 0 312.351 -0.384 20 0 DBADRM Cn1ncc(C(=O)NCC(=O)[O-])c1I ZINC000306266925 963192615 /nfs/dbraw/zinc/19/26/15/963192615.db2.gz HNRBQZDJNHQUIC-UHFFFAOYSA-N -1 0 309.063 -0.161 20 0 DBADRM CCc1cc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n[nH]1 ZINC000843256020 805612442 /nfs/dbraw/zinc/61/24/42/805612442.db2.gz BTUDFMKUCMRAKK-WCBMZHEXSA-N -1 0 308.338 -0.042 20 0 DBADRM CC1(CCNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)OCCO1 ZINC000843256319 805612530 /nfs/dbraw/zinc/61/25/30/805612530.db2.gz DUFFXJWXSAEOTC-VHSXEESVSA-N -1 0 314.338 -0.375 20 0 DBADRM CON(CC1CCOCC1)C(=O)C(=O)NCCCC(=O)[O-] ZINC000843259364 805613468 /nfs/dbraw/zinc/61/34/68/805613468.db2.gz LYKYUFFDPYMVQY-UHFFFAOYSA-N -1 0 302.327 -0.216 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000843335139 805617931 /nfs/dbraw/zinc/61/79/31/805617931.db2.gz MGXLKWRYTWYLER-UWVGGRQHSA-N -1 0 307.368 -0.383 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C(=O)[O-] ZINC000843335932 805617945 /nfs/dbraw/zinc/61/79/45/805617945.db2.gz RTRZOIWUVDZLFF-BDAKNGLRSA-N -1 0 309.322 -0.733 20 0 DBADRM O=C(CCN1CCOCC1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000843878379 805637747 /nfs/dbraw/zinc/63/77/47/805637747.db2.gz NHIQEYHZLHLXHI-NSHDSACASA-N -1 0 309.370 -0.061 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCC(O)(Cc2ccncc2)CC1 ZINC000843872344 805638112 /nfs/dbraw/zinc/63/81/12/805638112.db2.gz BPJREHJHFJEGOP-UHFFFAOYSA-N -1 0 302.334 -0.147 20 0 DBADRM CC[C@@H](C)C[C@@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000844037895 805642364 /nfs/dbraw/zinc/64/23/64/805642364.db2.gz VCFZTHGBYAUJGG-ZJUUUORDSA-N -1 0 307.354 -0.016 20 0 DBADRM CNC(=O)CC(=O)N(CCNC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001296568082 805642955 /nfs/dbraw/zinc/64/29/55/805642955.db2.gz HAMQUEFABBQIEF-UHFFFAOYSA-N -1 0 323.353 -0.719 20 0 DBADRM O=C([O-])COCC(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000844243732 805654432 /nfs/dbraw/zinc/65/44/32/805654432.db2.gz GPWSZDNVRJRNML-JTQLQIEISA-N -1 0 320.301 -0.069 20 0 DBADRM CNS(=O)(=O)c1cccc(NC(=O)COCC(=O)[O-])c1C ZINC000844245265 805654488 /nfs/dbraw/zinc/65/44/88/805654488.db2.gz FQBIDVGUTFXXDJ-UHFFFAOYSA-N -1 0 316.335 -0.057 20 0 DBADRM CN(C)C(=O)COc1cccc(CNC(=O)COCC(=O)[O-])c1 ZINC000844249305 805654912 /nfs/dbraw/zinc/65/49/12/805654912.db2.gz JOMFOUQCAMLATK-UHFFFAOYSA-N -1 0 324.333 -0.129 20 0 DBADRM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)COCC(=O)[O-])C1 ZINC000844246998 805655362 /nfs/dbraw/zinc/65/53/62/805655362.db2.gz FVFFMKGDUDOGNL-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)Nc1ccccc1C(=O)NCCC(N)=O ZINC000844250030 805655396 /nfs/dbraw/zinc/65/53/96/805655396.db2.gz PXSNLFNVVGXICX-QMMMGPOBSA-N -1 0 307.306 -0.049 20 0 DBADRM O=C([O-])COCC(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000844246427 805655528 /nfs/dbraw/zinc/65/55/28/805655528.db2.gz VLVRNNVNKHDGJD-UHFFFAOYSA-N -1 0 308.294 -0.943 20 0 DBADRM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)COCC(=O)[O-])CC2 ZINC000844248526 805655628 /nfs/dbraw/zinc/65/56/28/805655628.db2.gz DJHYKMBFVWAAQM-MNOVXSKESA-N -1 0 301.339 -0.134 20 0 DBADRM CCCN(C(=O)CCCc1nnn[n-]1)[C@@H]1CC(=O)N(C)C1=O ZINC001296899950 805655989 /nfs/dbraw/zinc/65/59/89/805655989.db2.gz ITIQTCFXNNQZSE-SECBINFHSA-N -1 0 308.342 -0.482 20 0 DBADRM O=C(c1cnc2[nH]cnc2c1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001296954328 805658001 /nfs/dbraw/zinc/65/80/01/805658001.db2.gz SSGZNTHTYFNDRQ-UHFFFAOYSA-N -1 0 314.309 -0.405 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000844540909 805662937 /nfs/dbraw/zinc/66/29/37/805662937.db2.gz MRICKHHAKFFNFT-UHFFFAOYSA-N -1 0 309.326 -0.027 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000844558720 805664314 /nfs/dbraw/zinc/66/43/14/805664314.db2.gz VKBLTCJMJJMVLY-UHFFFAOYSA-N -1 0 316.339 -0.477 20 0 DBADRM COC(=O)CC1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000844796407 805671598 /nfs/dbraw/zinc/67/15/98/805671598.db2.gz SHUNHDRFKOAEPA-UHFFFAOYSA-N -1 0 305.294 -0.717 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000844786654 805671902 /nfs/dbraw/zinc/67/19/02/805671902.db2.gz QRHNWJUNWRWKNI-QMMMGPOBSA-N -1 0 319.339 -0.277 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000844795068 805672129 /nfs/dbraw/zinc/67/21/29/805672129.db2.gz MBJQMDPJYYYJRD-BDAKNGLRSA-N -1 0 320.392 -0.156 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H](Cc1ccncn1)C(=O)[O-] ZINC000844806272 805672956 /nfs/dbraw/zinc/67/29/56/805672956.db2.gz VIUWCMHHPGHAJK-JMJZKYOTSA-N -1 0 315.351 -0.431 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000844799827 805673134 /nfs/dbraw/zinc/67/31/34/805673134.db2.gz UHQMBABDYLRLRW-NSHDSACASA-N -1 0 320.392 -0.155 20 0 DBADRM COC(C)(C)CS(=O)(=O)N[C@@H](Cc1ccncn1)C(=O)[O-] ZINC000844803885 805673355 /nfs/dbraw/zinc/67/33/55/805673355.db2.gz JSFVJHFXAUQHSM-JTQLQIEISA-N -1 0 317.367 -0.183 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](Cc1ccncn1)C(=O)[O-] ZINC000844806274 805673516 /nfs/dbraw/zinc/67/35/16/805673516.db2.gz VIUWCMHHPGHAJK-LSJOCFKGSA-N -1 0 315.351 -0.431 20 0 DBADRM Cn1ccc(NC(=O)CNC(=O)c2c[n-]n3c2nccc3=O)n1 ZINC001297230961 805690745 /nfs/dbraw/zinc/69/07/45/805690745.db2.gz NXCFSUJIFVKBAE-UHFFFAOYSA-N -1 0 315.293 -0.875 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000845508999 805707432 /nfs/dbraw/zinc/70/74/32/805707432.db2.gz MZCAZDCZSWCYTN-SNVBAGLBSA-N -1 0 306.384 -0.226 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000845541649 805712885 /nfs/dbraw/zinc/71/28/85/805712885.db2.gz OWQGSAJQHQJFOK-VIFPVBQESA-N -1 0 300.315 -0.710 20 0 DBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845511270 805708112 /nfs/dbraw/zinc/70/81/12/805708112.db2.gz OEOOWIZZPWGNJM-VIFPVBQESA-N -1 0 316.383 -0.374 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000845509331 805708555 /nfs/dbraw/zinc/70/85/55/805708555.db2.gz DMSRFFGMXXHPBZ-SNVBAGLBSA-N -1 0 306.384 -0.226 20 0 DBADRM C[C@@H](COCC(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1 ZINC000845509856 805708723 /nfs/dbraw/zinc/70/87/23/805708723.db2.gz ABUVMRCTVKQZFD-JTQLQIEISA-N -1 0 314.363 -0.262 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000845530331 805709997 /nfs/dbraw/zinc/70/99/97/805709997.db2.gz LHBVDPQOQQINMX-QJPTWQEYSA-N -1 0 315.370 -0.375 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000845529786 805710078 /nfs/dbraw/zinc/71/00/78/805710078.db2.gz BRZKGGXNOFDRCL-PHIMTYICSA-N -1 0 300.359 -0.784 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000845533760 805711163 /nfs/dbraw/zinc/71/11/63/805711163.db2.gz AOEYWQCPRXBYOV-MFKMUULPSA-N -1 0 301.343 -0.357 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCOC[C@H]1c1ccnn1C ZINC000845537166 805712035 /nfs/dbraw/zinc/71/20/35/805712035.db2.gz SUKVMWNJEIYYEK-NSHDSACASA-N -1 0 311.342 -0.429 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(CC)C(=O)[C@H]1CC ZINC000845538428 805712371 /nfs/dbraw/zinc/71/23/71/805712371.db2.gz TUGKWDAHRGTSII-SNVBAGLBSA-N -1 0 300.359 -0.294 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCNC(=O)c1cccs1 ZINC000845539146 805712469 /nfs/dbraw/zinc/71/24/69/805712469.db2.gz FHUXARDLPBAHMN-UHFFFAOYSA-N -1 0 314.367 -0.155 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000845540894 805713335 /nfs/dbraw/zinc/71/33/35/805713335.db2.gz KXJBBXOIOWZFKM-LLVKDONJSA-N -1 0 310.358 -0.233 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCCNC(=O)C1CCC1 ZINC000845543089 805713382 /nfs/dbraw/zinc/71/33/82/805713382.db2.gz CVJRHNSLXVSEQR-UHFFFAOYSA-N -1 0 300.359 -0.340 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000845541131 805713442 /nfs/dbraw/zinc/71/34/42/805713442.db2.gz SVLKYPJOZYCBQC-SECBINFHSA-N -1 0 307.372 -0.727 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@H](C(=O)OCC)C1 ZINC000845544320 805713489 /nfs/dbraw/zinc/71/34/89/805713489.db2.gz KMDGBYOUECBEHF-VIFPVBQESA-N -1 0 303.315 -0.972 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000845546323 805714520 /nfs/dbraw/zinc/71/45/20/805714520.db2.gz QWGBJLJBAGMQCL-DTWKUNHWSA-N -1 0 309.388 -0.483 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCCOC[C@@H]1CCOC1 ZINC000845546587 805714699 /nfs/dbraw/zinc/71/46/99/805714699.db2.gz LYUCXDJVJPDSTI-NSHDSACASA-N -1 0 303.359 -0.204 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCN1CCOC(C)(C)C1 ZINC000845548554 805714714 /nfs/dbraw/zinc/71/47/14/805714714.db2.gz JSOXTVWEWWITAC-UHFFFAOYSA-N -1 0 302.375 -0.536 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000845553488 805715375 /nfs/dbraw/zinc/71/53/75/805715375.db2.gz VRQWKJCQLNXOSV-LBPRGKRZSA-N -1 0 316.402 -0.290 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000845550852 805715518 /nfs/dbraw/zinc/71/55/18/805715518.db2.gz XHNPHMHOYGJLRR-UHFFFAOYSA-N -1 0 324.403 -0.929 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H](O)COc1ccccc1 ZINC000845553320 805715851 /nfs/dbraw/zinc/71/58/51/805715851.db2.gz RSIXPHURZRPAPX-LLVKDONJSA-N -1 0 311.338 -0.207 20 0 DBADRM COC/C(C)=C/C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000845575686 805719860 /nfs/dbraw/zinc/71/98/60/805719860.db2.gz QDJXCZUXYLCULD-CSKARUKUSA-N -1 0 319.383 -0.896 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)NCCn1cnnn1 ZINC000845800124 805727053 /nfs/dbraw/zinc/72/70/53/805727053.db2.gz YZSGZXHQMSEYBD-UHFFFAOYSA-N -1 0 303.398 -0.278 20 0 DBADRM Cc1cc(C(=O)NCCn2cnnn2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000845801862 805727366 /nfs/dbraw/zinc/72/73/66/805727366.db2.gz OWWQGVSJWVGBFH-UHFFFAOYSA-N -1 0 316.281 -0.839 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)CCc1scnc1C ZINC000846002456 805739701 /nfs/dbraw/zinc/73/97/01/805739701.db2.gz JNRXDGLRMGKEII-UHFFFAOYSA-N -1 0 307.397 -0.019 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1c(CC)nn(C)c1CC ZINC000846003695 805739750 /nfs/dbraw/zinc/73/97/50/805739750.db2.gz KPUWCJZVKDEGGQ-UHFFFAOYSA-N -1 0 318.399 -0.109 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc(Cl)cnc1N ZINC000846003477 805739878 /nfs/dbraw/zinc/73/98/78/805739878.db2.gz CLHGJILZUSNXES-UHFFFAOYSA-N -1 0 308.747 -0.337 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cccc2c1OCC2 ZINC000846003332 805740106 /nfs/dbraw/zinc/74/01/06/805740106.db2.gz WDOXUCRGOBCHMC-UHFFFAOYSA-N -1 0 300.336 -0.033 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(OCC)nc1 ZINC000846003442 805740198 /nfs/dbraw/zinc/74/01/98/805740198.db2.gz BBRFDNJJBRARKO-UHFFFAOYSA-N -1 0 303.340 -0.174 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000846003521 805740270 /nfs/dbraw/zinc/74/02/70/805740270.db2.gz FGPGHUAQLCVNHX-SECBINFHSA-N -1 0 318.355 -0.810 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(N(C)C)cc1 ZINC000846132294 805745183 /nfs/dbraw/zinc/74/51/83/805745183.db2.gz XFWOURAPUORLGY-UHFFFAOYSA-N -1 0 308.338 -0.125 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000846131516 805745395 /nfs/dbraw/zinc/74/53/95/805745395.db2.gz KFJYTKZRRLHZGP-UHFFFAOYSA-N -1 0 323.305 -0.404 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1nc(CC)cs1 ZINC000846132692 805745542 /nfs/dbraw/zinc/74/55/42/805745542.db2.gz MCPRQPLIGNMJHR-UHFFFAOYSA-N -1 0 300.340 -0.172 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cc(C)ccc1S(N)(=O)=O ZINC000846493501 805756506 /nfs/dbraw/zinc/75/65/06/805756506.db2.gz IGCDIXBDGNFPPL-UHFFFAOYSA-N -1 0 315.351 -0.560 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CCCNC(=O)c1cccnc1 ZINC000846493581 805756811 /nfs/dbraw/zinc/75/68/11/805756811.db2.gz BYZSNGUUDBMBLQ-UHFFFAOYSA-N -1 0 308.338 -0.225 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1c(C)nn(C)c1-n1cccn1 ZINC000846492496 805756936 /nfs/dbraw/zinc/75/69/36/805756936.db2.gz BRUNXITYUFBGFE-UHFFFAOYSA-N -1 0 306.326 -0.288 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000846496433 805758101 /nfs/dbraw/zinc/75/81/01/805758101.db2.gz KUOBMSHPAGWGNH-UHFFFAOYSA-N -1 0 304.310 -0.476 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C1CCN(c2cnccn2)CC1 ZINC000846496751 805758314 /nfs/dbraw/zinc/75/83/14/805758314.db2.gz MJWYEEHZGFVDKO-UHFFFAOYSA-N -1 0 307.354 -0.123 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CN1C(=O)NC(CC)(CC)C1=O ZINC000846497350 805758421 /nfs/dbraw/zinc/75/84/21/805758421.db2.gz MIGKEUUTYPPWEA-UHFFFAOYSA-N -1 0 314.342 -0.719 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000846497518 805758463 /nfs/dbraw/zinc/75/84/63/805758463.db2.gz OPLDQQMHHZVAKD-SNVBAGLBSA-N -1 0 321.399 -0.768 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000846496837 805758535 /nfs/dbraw/zinc/75/85/35/805758535.db2.gz OYQUQCBLVPUUEQ-RNFRBKRXSA-N -1 0 311.260 -0.373 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000846499594 805759011 /nfs/dbraw/zinc/75/90/11/805759011.db2.gz WXSYFCOCEQENQM-UHFFFAOYSA-N -1 0 309.322 -0.391 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000846498428 805759211 /nfs/dbraw/zinc/75/92/11/805759211.db2.gz WOZQSKHAZAECSP-SNVBAGLBSA-N -1 0 311.342 -0.914 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000846499163 805759241 /nfs/dbraw/zinc/75/92/41/805759241.db2.gz MIRXDOOUMVWFRS-UHFFFAOYSA-N -1 0 319.317 -0.143 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000846499058 805759374 /nfs/dbraw/zinc/75/93/74/805759374.db2.gz KLNUEJHBRSWUHS-NXEZZACHSA-N -1 0 311.338 -0.655 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CCn1nnc2ccccc2c1=O ZINC000846499464 805759532 /nfs/dbraw/zinc/75/95/32/805759532.db2.gz QZPHJVMLTBZWLM-UHFFFAOYSA-N -1 0 319.321 -0.635 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC000846701883 805772657 /nfs/dbraw/zinc/77/26/57/805772657.db2.gz FFLNZSKIYVKSHK-CQSZACIVSA-N -1 0 308.338 -0.296 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000846714026 805773199 /nfs/dbraw/zinc/77/31/99/805773199.db2.gz WUIGEQNIXYTZAR-RCKQQEMXSA-N -1 0 321.333 -0.439 20 0 DBADRM CCN1C[C@@H](CNC(=O)C(=O)[N-]OCCSC)CC1=O ZINC000846741657 805774862 /nfs/dbraw/zinc/77/48/62/805774862.db2.gz MGQPXZIYWJQZML-SECBINFHSA-N -1 0 303.384 -0.618 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)[C@H]2CCOC2)c1[O-] ZINC001298296406 805781274 /nfs/dbraw/zinc/78/12/74/805781274.db2.gz UTBSEOXZKRWOMA-ZMWSMAPVSA-N -1 0 308.338 -0.138 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)[N-]O[C@@H](CO)C(C)C)C1=O ZINC001298376882 805794491 /nfs/dbraw/zinc/79/44/91/805794491.db2.gz HGSKZGOLFMJGNR-MNOVXSKESA-N -1 0 316.354 -0.537 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847390210 805796943 /nfs/dbraw/zinc/79/69/43/805796943.db2.gz XCDXLLLBNTUZSN-SDDRHHMPSA-N -1 0 316.402 -0.149 20 0 DBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2cccc(C)c2)c(=O)n1C ZINC000847618675 805809934 /nfs/dbraw/zinc/80/99/34/805809934.db2.gz PYKUIJDQFPHGDB-UHFFFAOYSA-N -1 0 324.362 -0.296 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1ccc(-n2cnnn2)cn1 ZINC000847632205 805809956 /nfs/dbraw/zinc/80/99/56/805809956.db2.gz OWMSRWYIPFMFPT-UHFFFAOYSA-N -1 0 323.338 -0.872 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)NC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001298490139 805810194 /nfs/dbraw/zinc/81/01/94/805810194.db2.gz GIUUOJNBGPABAY-LTFJCZIQSA-N -1 0 323.353 -0.476 20 0 DBADRM O=C([N-]S(=O)(=O)CC1CC1)c1ccc(-n2cnnn2)cn1 ZINC000847647531 805810530 /nfs/dbraw/zinc/81/05/30/805810530.db2.gz LNSIVLKWPSANQC-UHFFFAOYSA-N -1 0 308.323 -0.473 20 0 DBADRM CC[C@H](SC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996717 805818728 /nfs/dbraw/zinc/81/87/28/805818728.db2.gz OVYRDYGCECEWOZ-LURJTMIESA-N -1 0 307.353 -0.280 20 0 DBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000847846579 805815931 /nfs/dbraw/zinc/81/59/31/805815931.db2.gz RRBJSANXUCQRGV-MRVPVSSYSA-N -1 0 303.340 -0.435 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000847846950 805816356 /nfs/dbraw/zinc/81/63/56/805816356.db2.gz ZIQQAEVCBJWQKP-LLVKDONJSA-N -1 0 316.383 -0.913 20 0 DBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000847846207 805816518 /nfs/dbraw/zinc/81/65/18/805816518.db2.gz IBJCZFMIVVUUHM-SNVBAGLBSA-N -1 0 319.383 -0.192 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)nn1 ZINC000847845883 805816770 /nfs/dbraw/zinc/81/67/70/805816770.db2.gz CGSUYJNHEGCKAC-UHFFFAOYSA-N -1 0 312.355 -0.319 20 0 DBADRM COC(=O)C[C@H](C)CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000847886972 805817229 /nfs/dbraw/zinc/81/72/29/805817229.db2.gz VLUNPOVFKLILEZ-MRVPVSSYSA-N -1 0 308.356 -0.842 20 0 DBADRM COCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847997846 805818992 /nfs/dbraw/zinc/81/89/92/805818992.db2.gz CDZROMXKNFQMLF-UHFFFAOYSA-N -1 0 319.339 -0.359 20 0 DBADRM CSC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996395 805819382 /nfs/dbraw/zinc/81/93/82/805819382.db2.gz KVQWUZWGGVOETO-YFKPBYRVSA-N -1 0 307.353 -0.423 20 0 DBADRM CO[C@@](C)(C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)C1CC1 ZINC000847998268 805819623 /nfs/dbraw/zinc/81/96/23/805819623.db2.gz RPJNPHXOHDHODP-LLVKDONJSA-N -1 0 317.323 -0.607 20 0 DBADRM CC(C)(C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)C(F)F ZINC000847998400 805819849 /nfs/dbraw/zinc/81/98/49/805819849.db2.gz VEAHPALISVLDOY-UHFFFAOYSA-N -1 0 311.266 -0.130 20 0 DBADRM CO[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998072 805819976 /nfs/dbraw/zinc/81/99/76/805819976.db2.gz KTBATOAKBFIDEH-QMMMGPOBSA-N -1 0 319.339 -0.361 20 0 DBADRM CC(C)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998153 805820065 /nfs/dbraw/zinc/82/00/65/805820065.db2.gz NICIBVUBNCHGTK-RNFRBKRXSA-N -1 0 301.324 -0.130 20 0 DBADRM CCOCC1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CC1 ZINC000847997976 805820228 /nfs/dbraw/zinc/82/02/28/805820228.db2.gz HBBCOIPQUVXQNS-UHFFFAOYSA-N -1 0 317.323 -0.605 20 0 DBADRM Cn1cnc(NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)n1 ZINC001298655313 805822580 /nfs/dbraw/zinc/82/25/80/805822580.db2.gz FNHJSSZEYJMLLV-UHFFFAOYSA-N -1 0 301.266 -0.353 20 0 DBADRM NC(=O)[C@]1(NC(=O)c2n[n-]c3ccccc3c2=O)CCOC1 ZINC000848317495 805834266 /nfs/dbraw/zinc/83/42/66/805834266.db2.gz FATLMKDTTJJZMV-AWEZNQCLSA-N -1 0 302.290 -0.290 20 0 DBADRM O=C(NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1)c1cc(=O)[nH][n-]1 ZINC000848331962 805835463 /nfs/dbraw/zinc/83/54/63/805835463.db2.gz PRBZDJFMSHYNNW-ZETCQYMHSA-N -1 0 320.271 -0.221 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848364280 805836003 /nfs/dbraw/zinc/83/60/03/805836003.db2.gz LBEXVAXOVPQYJY-SSDOTTSWSA-N -1 0 313.339 -0.298 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)CCO1 ZINC000848595557 805841262 /nfs/dbraw/zinc/84/12/62/805841262.db2.gz YZERJIUEPHFJIF-UWVGGRQHSA-N -1 0 313.310 -0.535 20 0 DBADRM C[C@H](CNC(=O)C(=O)NC1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000848606867 805842630 /nfs/dbraw/zinc/84/26/30/805842630.db2.gz KYDMIAWAYHSFPU-SECBINFHSA-N -1 0 314.338 -0.375 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N(C)Cc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000848609247 805842802 /nfs/dbraw/zinc/84/28/02/805842802.db2.gz KLCCSEYJJYWDRF-VIFPVBQESA-N -1 0 321.333 -0.419 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NC[C@H]1CSCCS1)C(=O)[O-] ZINC000848611881 805842952 /nfs/dbraw/zinc/84/29/52/805842952.db2.gz SLSZVJAQTYZIGI-YUMQZZPRSA-N -1 0 306.409 -0.212 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCC(c2cn[nH]c2)CC1)C(=O)[O-] ZINC000848609791 805843039 /nfs/dbraw/zinc/84/30/39/805843039.db2.gz JEVZNEQJAWCCLS-SECBINFHSA-N -1 0 308.338 -0.047 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)Cc1ncc(Cl)n1C)C(=O)[O-] ZINC000848609482 805843476 /nfs/dbraw/zinc/84/34/76/805843476.db2.gz HPWYTUJUMXKPLI-SSDOTTSWSA-N -1 0 316.745 -0.131 20 0 DBADRM CC(C)[C@@H](CNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000848451337 805837784 /nfs/dbraw/zinc/83/77/84/805837784.db2.gz RWSFCZNHXKRMDM-ISALQUGTSA-N -1 0 323.349 -0.430 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000848874465 805851669 /nfs/dbraw/zinc/85/16/69/805851669.db2.gz AEDHWZQRSIZWAR-JTQLQIEISA-N -1 0 322.383 -0.735 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@H]1COCC2 ZINC000848875207 805851738 /nfs/dbraw/zinc/85/17/38/805851738.db2.gz DLFQNBNGLQIYFJ-OUJBWJOFSA-N -1 0 317.363 -0.487 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848938497 805852544 /nfs/dbraw/zinc/85/25/44/805852544.db2.gz GCYGUYKCFMRMDO-SDDRHHMPSA-N -1 0 317.386 -0.706 20 0 DBADRM O=C(C[C@]1(C(=O)[O-])CCOC1)NCCS(=O)(=O)CC1CC1 ZINC000849180931 805858723 /nfs/dbraw/zinc/85/87/23/805858723.db2.gz DIKFTPKSHPMWRV-CYBMUJFWSA-N -1 0 319.379 -0.191 20 0 DBADRM CN1CCCc2ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc21 ZINC000849221433 805860003 /nfs/dbraw/zinc/86/00/03/805860003.db2.gz OYOXYZOTTGNFMU-GFCCVEGCSA-N -1 0 314.363 -0.207 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000849334902 805862974 /nfs/dbraw/zinc/86/29/74/805862974.db2.gz REBKWBAUGJKOJL-LLVKDONJSA-N -1 0 318.330 -0.217 20 0 DBADRM Cn1c(N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000849349323 805863640 /nfs/dbraw/zinc/86/36/40/805863640.db2.gz SVECNYCPNDNLCP-ZMONIFLSSA-N -1 0 305.294 -0.861 20 0 DBADRM CNC(=O)CN1CCN(S(=O)(=O)c2ccccc2[O-])CC1 ZINC000849370452 805864236 /nfs/dbraw/zinc/86/42/36/805864236.db2.gz BXMNCAXPUPMUFY-UHFFFAOYSA-N -1 0 313.379 -0.556 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000849401436 805870427 /nfs/dbraw/zinc/87/04/27/805870427.db2.gz XTMFHYQOJZIYFJ-NXEZZACHSA-N -1 0 310.372 -0.975 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc(C)cc(C(N)=O)c1 ZINC000849401407 805870880 /nfs/dbraw/zinc/87/08/80/805870880.db2.gz WYOZCVXQVOYEBI-UHFFFAOYSA-N -1 0 315.351 -0.560 20 0 DBADRM CC/C=C(/C)C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001299382349 805883737 /nfs/dbraw/zinc/88/37/37/805883737.db2.gz BHFBVTLXDRDMCK-YVMONPNESA-N -1 0 321.337 -0.078 20 0 DBADRM CO[C@@H]1CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000850786243 805901682 /nfs/dbraw/zinc/90/16/82/805901682.db2.gz OVDAGWCCBQWCMP-SECBINFHSA-N -1 0 324.337 -0.111 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCCC1)c1cnc2n1CCOC2 ZINC000850790283 805902299 /nfs/dbraw/zinc/90/22/99/805902299.db2.gz YVIDAEQPTFAUEH-UHFFFAOYSA-N -1 0 314.367 -0.126 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cccnc1)[C@H]1CCOC1 ZINC000850737601 805902520 /nfs/dbraw/zinc/90/25/20/805902520.db2.gz RBAFQASQZSFVAJ-ONGXEEELSA-N -1 0 300.336 -0.062 20 0 DBADRM CN(CCN1CCCS1(=O)=O)NCC1(C(=O)[O-])CCC1 ZINC000850800095 805903493 /nfs/dbraw/zinc/90/34/93/805903493.db2.gz UZUWRHLDAVKXFC-UHFFFAOYSA-N -1 0 305.400 -0.287 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)CN1CCN(C2CC2)C1=O ZINC000850827850 805903558 /nfs/dbraw/zinc/90/35/58/805903558.db2.gz COQRGKWWPWDVRC-UHFFFAOYSA-N -1 0 318.399 -0.412 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)s1 ZINC000850837753 805904539 /nfs/dbraw/zinc/90/45/39/805904539.db2.gz NUWVKECULDJZMV-KPCSLPGQSA-N -1 0 316.360 -0.456 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CN1CCN(C2CC2)C1=O ZINC000850843825 805904559 /nfs/dbraw/zinc/90/45/59/805904559.db2.gz PSTPDDAJIHJJFD-SECBINFHSA-N -1 0 319.383 -0.633 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC000850840869 805904646 /nfs/dbraw/zinc/90/46/46/805904646.db2.gz DWABJVRUEUNNOM-KOLCDFICSA-N -1 0 323.367 -0.563 20 0 DBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)n1 ZINC000850844301 805904772 /nfs/dbraw/zinc/90/47/72/805904772.db2.gz WYFPAEAFGLNQEL-ZETCQYMHSA-N -1 0 303.344 -0.723 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12 ZINC000850834706 805904777 /nfs/dbraw/zinc/90/47/77/805904777.db2.gz LMBCICIZGAEKEV-MXWKQRLJSA-N -1 0 318.395 -0.226 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ccnn1C1CCOCC1 ZINC000850834141 805904841 /nfs/dbraw/zinc/90/48/41/805904841.db2.gz BUWUAOFMJPOKMQ-UHFFFAOYSA-N -1 0 317.367 -0.059 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)[N-]S(=O)(=O)CCCF ZINC000850870581 805905236 /nfs/dbraw/zinc/90/52/36/805905236.db2.gz FWDDJVNVDHUQCY-UHFFFAOYSA-N -1 0 307.347 -0.308 20 0 DBADRM CC(=O)Nc1cnccc1C(=O)[N-]N1C(=O)[C@@H](C)N(C)C1=O ZINC001301136532 805905418 /nfs/dbraw/zinc/90/54/18/805905418.db2.gz WOSMPEWJGCXKJZ-SSDOTTSWSA-N -1 0 305.294 -0.033 20 0 DBADRM Cn1ncc(C2CC2)c1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000850862347 805905663 /nfs/dbraw/zinc/90/56/63/805905663.db2.gz NEGXACQQGBJZSB-UHFFFAOYSA-N -1 0 314.367 -0.396 20 0 DBADRM CCc1c[nH]c(=O)c(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000850862513 805905944 /nfs/dbraw/zinc/90/59/44/805905944.db2.gz PPHQEYVKNWWIPP-UHFFFAOYSA-N -1 0 315.351 -0.344 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@]12C[C@H]1COC2(C)C ZINC000850896953 805906292 /nfs/dbraw/zinc/90/62/92/805906292.db2.gz GQHFSHMDTAFBPU-GWCFXTLKSA-N -1 0 321.395 -0.090 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cn1cc(C2CC2)cn1 ZINC000850888180 805906422 /nfs/dbraw/zinc/90/64/22/805906422.db2.gz IDVIVQNIGMTUIW-UHFFFAOYSA-N -1 0 316.383 -0.300 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000850896959 805906648 /nfs/dbraw/zinc/90/66/48/805906648.db2.gz GQHFSHMDTAFBPU-ZWNOBZJWSA-N -1 0 321.395 -0.090 20 0 DBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)n1 ZINC000850914256 805907005 /nfs/dbraw/zinc/90/70/05/805907005.db2.gz IOUVYSSQVJCYNZ-MRVPVSSYSA-N -1 0 317.371 -0.476 20 0 DBADRM COCCCOCCC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000850914265 805907372 /nfs/dbraw/zinc/90/73/72/805907372.db2.gz IUOWXRFNXOMBQX-NSHDSACASA-N -1 0 309.384 -0.088 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1ccn2nnnc2c1 ZINC000850914481 805908054 /nfs/dbraw/zinc/90/80/54/805908054.db2.gz NWOPZTSCBZKLLJ-QMMMGPOBSA-N -1 0 311.323 -0.780 20 0 DBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000850925753 805908075 /nfs/dbraw/zinc/90/80/75/805908075.db2.gz HUYIJVYXBZTFBN-NSHDSACASA-N -1 0 317.319 -0.118 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1)[C@H]1CCOC1 ZINC000850934698 805908090 /nfs/dbraw/zinc/90/80/90/805908090.db2.gz YXPDVWJFNPUENU-AXFHLTTASA-N -1 0 307.368 -0.337 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1cnc2n1CCOC2 ZINC000850934426 805908199 /nfs/dbraw/zinc/90/81/99/805908199.db2.gz UXZBQQVIFPULAZ-VIFPVBQESA-N -1 0 315.351 -0.348 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1)[C@@H]1CCOC1 ZINC000850936962 805908364 /nfs/dbraw/zinc/90/83/64/805908364.db2.gz LNLFGDGIXOVANX-VWYCJHECSA-N -1 0 307.368 -0.337 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1c(C2CC2)cnn1C ZINC000850941942 805908420 /nfs/dbraw/zinc/90/84/20/805908420.db2.gz AKHWASRZZNUJLO-ZETCQYMHSA-N -1 0 315.351 -0.081 20 0 DBADRM O=C(CN1CCN(C2CC2)C1=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000850974668 805909733 /nfs/dbraw/zinc/90/97/33/805909733.db2.gz IPGMSTMWKJWIHG-UHFFFAOYSA-N -1 0 313.339 -0.885 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC000850972277 805909151 /nfs/dbraw/zinc/90/91/51/805909151.db2.gz QZZNNARBHUIGNR-HTQZYQBOSA-N -1 0 302.356 -0.176 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000850942866 805909500 /nfs/dbraw/zinc/90/95/00/805909500.db2.gz MEBBVUHREYBGDO-LURJTMIESA-N -1 0 319.343 -0.951 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](OC)[C@H]1CCOC1 ZINC000850943018 805909510 /nfs/dbraw/zinc/90/95/10/805909510.db2.gz NYYRUUFKSAWEDF-CIUDSAMLSA-N -1 0 309.340 -0.955 20 0 DBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1 ZINC000851017924 805910551 /nfs/dbraw/zinc/91/05/51/805910551.db2.gz ZGKYCPIXBXTAHA-JTQLQIEISA-N -1 0 314.323 -0.576 20 0 DBADRM CCc1c[nH]c(=O)c(C(=O)[N-]S(=O)(=O)CCC(=O)OC)c1 ZINC000851022013 805911590 /nfs/dbraw/zinc/91/15/90/805911590.db2.gz QYFYHUYYTSZZKE-UHFFFAOYSA-N -1 0 316.335 -0.028 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H](OC)[C@H]1CCOC1 ZINC000851021624 805911955 /nfs/dbraw/zinc/91/19/55/805911955.db2.gz LNHGGIPMYBUGFV-WCBMZHEXSA-N -1 0 309.340 -0.953 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cnc2n1CCC2 ZINC000851042791 805912003 /nfs/dbraw/zinc/91/20/03/805912003.db2.gz SRGFUOVGZZSNBM-UHFFFAOYSA-N -1 0 309.351 -0.010 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N3CC[C@H](c4nnn[n-]4)C3)nc2n1 ZINC001302935538 805912340 /nfs/dbraw/zinc/91/23/40/805912340.db2.gz BFOPPMPQANHHOC-VIFPVBQESA-N -1 0 313.325 -0.116 20 0 DBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cc(C(=O)OC)co1 ZINC000851108950 805912590 /nfs/dbraw/zinc/91/25/90/805912590.db2.gz STHFUHARNATMNL-MRVPVSSYSA-N -1 0 321.307 -0.468 20 0 DBADRM COC[C@H](NC(=O)C=C(C)CN1CCOCC1)c1nnn[n-]1 ZINC001303580138 805916263 /nfs/dbraw/zinc/91/62/63/805916263.db2.gz QIKROCDBQOOWQQ-HUYFXPKMSA-N -1 0 310.358 -0.718 20 0 DBADRM O=C([N-]Oc1ccccc1F)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001303333669 805914948 /nfs/dbraw/zinc/91/49/48/805914948.db2.gz VWIKBZVTQUPSAC-QMMMGPOBSA-N -1 0 302.283 -0.851 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]S(=O)(=O)CC(F)F ZINC000851363387 805915144 /nfs/dbraw/zinc/91/51/44/805915144.db2.gz AUJXTJNVZOSHSS-UHFFFAOYSA-N -1 0 324.309 -0.908 20 0 DBADRM O=C([N-]S(=O)(=O)CC(F)F)[C@H]1CCCCS1(=O)=O ZINC000851361628 805915252 /nfs/dbraw/zinc/91/52/52/805915252.db2.gz QEZJUMDOZFAKAR-ZCFIWIBFSA-N -1 0 305.324 -0.335 20 0 DBADRM COc1cc(CS(=O)(=O)[N-]C(=O)c2cnnn2C)sn1 ZINC000851436558 805916620 /nfs/dbraw/zinc/91/66/20/805916620.db2.gz GVKKJELKSQSDPQ-UHFFFAOYSA-N -1 0 317.352 -0.460 20 0 DBADRM CCc1c(C(=O)[N-]S(=O)(=O)C(COC)COC)cnn1C ZINC000851499230 805918055 /nfs/dbraw/zinc/91/80/55/805918055.db2.gz NUDDZEOVMRLVGO-UHFFFAOYSA-N -1 0 319.383 -0.297 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cncc(F)c1 ZINC000851501187 805918414 /nfs/dbraw/zinc/91/84/14/805918414.db2.gz MHLMESOWNBBPOE-UHFFFAOYSA-N -1 0 306.315 -0.058 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C1SCCS1 ZINC000851502313 805918587 /nfs/dbraw/zinc/91/85/87/805918587.db2.gz KTEAMYPWDYECFQ-UHFFFAOYSA-N -1 0 315.438 -0.100 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C1(COC)CCC1 ZINC000851502815 805918669 /nfs/dbraw/zinc/91/86/69/805918669.db2.gz WAVAZIKVDIVSNQ-UHFFFAOYSA-N -1 0 309.384 -0.090 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CC1OCCCO1 ZINC000851502426 805918802 /nfs/dbraw/zinc/91/88/02/805918802.db2.gz PDCCTVJWRUMFME-UHFFFAOYSA-N -1 0 311.356 -0.753 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H](OC)C1CCC1 ZINC000851504103 805919327 /nfs/dbraw/zinc/91/93/27/805919327.db2.gz PGDOXVPOJTTXGG-LLVKDONJSA-N -1 0 309.384 -0.091 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)[N-]C(=O)CNC(C)=O ZINC000851505470 805919454 /nfs/dbraw/zinc/91/94/54/805919454.db2.gz FHDSXMPPHPEIHP-UHFFFAOYSA-N -1 0 304.299 -0.225 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000851504234 805919695 /nfs/dbraw/zinc/91/96/95/805919695.db2.gz UDUPDADVAWWIGS-GDPRMGEGSA-N -1 0 319.379 -0.291 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CN1CCCCC1=O ZINC000851503715 805919759 /nfs/dbraw/zinc/91/97/59/805919759.db2.gz JIOXMZLZYJZHIT-UHFFFAOYSA-N -1 0 322.383 -0.894 20 0 DBADRM CCOC1CC(C(=O)[N-]S(=O)(=O)C(COC)COC)C1 ZINC000851504530 805919780 /nfs/dbraw/zinc/91/97/80/805919780.db2.gz ZUZKEAZXBBOTMG-UHFFFAOYSA-N -1 0 309.384 -0.091 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)/C=C\[C@H]1CCCO1 ZINC000851503860 805919830 /nfs/dbraw/zinc/91/98/30/805919830.db2.gz MWDKOKMJPJNSNH-WWQCOOJYSA-N -1 0 307.368 -0.171 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cnn2c1CCC2 ZINC000851504387 805919926 /nfs/dbraw/zinc/91/99/26/805919926.db2.gz WIJHZRXNTQFABV-UHFFFAOYSA-N -1 0 317.367 -0.450 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(=O)N1 ZINC000851504444 805920000 /nfs/dbraw/zinc/92/00/00/805920000.db2.gz XNDKOZGZRJDWDA-VIFPVBQESA-N -1 0 322.383 -0.847 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@H](CCSC)NC(N)=O ZINC001304130506 805920481 /nfs/dbraw/zinc/92/04/81/805920481.db2.gz AXFHDWSNRJNFFA-QMMMGPOBSA-N -1 0 307.372 -0.223 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)c2nnn(C(C)(C)C)n2)C1 ZINC000851607387 805920613 /nfs/dbraw/zinc/92/06/13/805920613.db2.gz MORYFSJHSKKSKE-ZDUSSCGKSA-N -1 0 311.342 -0.009 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000851613289 805921034 /nfs/dbraw/zinc/92/10/34/805921034.db2.gz AJBJROVYRHPMHL-GFCCVEGCSA-N -1 0 322.358 -0.317 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C1(n2cnnn2)CCOCC1 ZINC000851605832 805921202 /nfs/dbraw/zinc/92/12/02/805921202.db2.gz GKHAWQGJSVFAHH-VHSXEESVSA-N -1 0 309.326 -0.500 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC001304258014 805921411 /nfs/dbraw/zinc/92/14/11/805921411.db2.gz BFIHNLIZKPONIF-UHFFFAOYSA-N -1 0 319.321 -0.523 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H]2CSCN2C(C)=O)[C@@H](C(=O)[O-])C1 ZINC000851622861 805922383 /nfs/dbraw/zinc/92/23/83/805922383.db2.gz WDURZQSKTVOBAQ-MXWKQRLJSA-N -1 0 316.379 -0.002 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000851683784 805925257 /nfs/dbraw/zinc/92/52/57/805925257.db2.gz OQJDURKMIPISIT-PELKAZGASA-N -1 0 320.292 -0.150 20 0 DBADRM COC(=O)N(C)CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000851683449 805925295 /nfs/dbraw/zinc/92/52/95/805925295.db2.gz GILFTZBDNZMRDM-VIFPVBQESA-N -1 0 317.342 -0.726 20 0 DBADRM COCCN(CCF)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000851684167 805925405 /nfs/dbraw/zinc/92/54/05/805925405.db2.gz YDRBPXGPRJUVEZ-VHSXEESVSA-N -1 0 304.318 -0.200 20 0 DBADRM Cc1nc[nH]c(=O)c1CCC(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC001306659292 805926008 /nfs/dbraw/zinc/92/60/08/805926008.db2.gz APTBFRQMJTZCHD-UHFFFAOYSA-N -1 0 306.326 -0.004 20 0 DBADRM CN1C(=O)C[C@@H](NS(=O)(=O)c2cc([O-])cc(F)c2)C1=O ZINC001309492496 805937463 /nfs/dbraw/zinc/93/74/63/805937463.db2.gz HGGRUDLFVJFNSI-SECBINFHSA-N -1 0 302.283 -0.433 20 0 DBADRM O=C([O-])[C@H]1COCCN1CC1=NS(=O)(=O)c2ccccc21 ZINC000852728142 805972636 /nfs/dbraw/zinc/97/26/36/805972636.db2.gz XGGOSVSNANHOQO-LLVKDONJSA-N -1 0 310.331 -0.037 20 0 DBADRM COC(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852733396 805972697 /nfs/dbraw/zinc/97/26/97/805972697.db2.gz QAEYSOZNZRGAAM-HTRCEHHLSA-N -1 0 312.244 -0.245 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H]3COC[C@@H]3C2)C1 ZINC000852914819 805989393 /nfs/dbraw/zinc/98/93/93/805989393.db2.gz IDPMNZXWXYNKER-ZETOZRRWSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCOCC1 ZINC000852960318 805994959 /nfs/dbraw/zinc/99/49/59/805994959.db2.gz DBZVXJPDNVBKEU-SECBINFHSA-N -1 0 322.321 -0.487 20 0 DBADRM COCCN(CCF)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000852915764 805990974 /nfs/dbraw/zinc/99/09/74/805990974.db2.gz LLFSWIWNQPIPCZ-JTQLQIEISA-N -1 0 304.318 -0.246 20 0 DBADRM CN1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CCC1=O ZINC000852915540 805991133 /nfs/dbraw/zinc/99/11/33/805991133.db2.gz HWVKIXQPVHNUIN-CQSZACIVSA-N -1 0 311.338 -1.000 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCN(C)Cc2cn(C)nn2)c1[O-] ZINC001316819725 805992375 /nfs/dbraw/zinc/99/23/75/805992375.db2.gz PDJGBWYFONIEBV-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCN(C)Cc2nncn2C)c1[O-] ZINC001316819842 805993414 /nfs/dbraw/zinc/99/34/14/805993414.db2.gz QIHFGRJQPBZTLP-UHFFFAOYSA-N -1 0 307.358 -0.196 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000852959302 805995136 /nfs/dbraw/zinc/99/51/36/805995136.db2.gz HPUIISAJAIHBGE-SECBINFHSA-N -1 0 306.384 -0.069 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)c1cnn(C)c1)OC ZINC000853204307 806001203 /nfs/dbraw/zinc/00/12/03/806001203.db2.gz WBJGNZMGHNMFFO-ONGXEEELSA-N -1 0 319.383 -0.369 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000852953901 805995490 /nfs/dbraw/zinc/99/54/90/805995490.db2.gz JVESONCPDXKIJB-GBIKHYSHSA-N -1 0 314.363 -0.533 20 0 DBADRM O=C([O-])[C@@H](C(=O)N[C@H]1CCN(C2CCOCC2)C1=O)C1CC1 ZINC000852952593 805995600 /nfs/dbraw/zinc/99/56/00/805995600.db2.gz ZVUKTFFOFMJLMF-NWDGAFQWSA-N -1 0 310.350 -0.007 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)[O-] ZINC000853069648 805997849 /nfs/dbraw/zinc/99/78/49/805997849.db2.gz FTBRCDWVAYYSHY-MRVPVSSYSA-N -1 0 311.381 -0.700 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)/C=C/c1ccc(C(N)=O)o1 ZINC000853109509 805997883 /nfs/dbraw/zinc/99/78/83/805997883.db2.gz FMMVAWZLUMIACS-FNORWQNLSA-N -1 0 301.324 -0.296 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)/C=C/c1ccc(C(N)=O)o1 ZINC000853119760 805997894 /nfs/dbraw/zinc/99/78/94/805997894.db2.gz BDLRCRKDFIISJW-YZCDNWJKSA-N -1 0 316.335 -0.127 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC ZINC000853203086 806001289 /nfs/dbraw/zinc/00/12/89/806001289.db2.gz VPMJUXFKMRCICF-DTWKUNHWSA-N -1 0 310.372 -0.992 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)/C=C/c1cnn(C)c1)OC ZINC000853200524 805999794 /nfs/dbraw/zinc/99/97/94/805999794.db2.gz LIPXMDHRVILZJL-ZWNMCFTASA-N -1 0 317.367 -0.459 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)/C=C\c1cnn(C)c1)OC ZINC000853200519 806000031 /nfs/dbraw/zinc/00/00/31/806000031.db2.gz LIPXMDHRVILZJL-DOGVGXBMSA-N -1 0 317.367 -0.459 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H](C)OCC1CC1)OC ZINC000853204671 806000932 /nfs/dbraw/zinc/00/09/32/806000932.db2.gz RTRDHBBAYDQCRB-ONGXEEELSA-N -1 0 309.384 -0.091 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cccc(OC)n1)OC ZINC000853202527 806001015 /nfs/dbraw/zinc/00/10/15/806001015.db2.gz GRKJTYVXWVHATG-VIFPVBQESA-N -1 0 318.351 -0.189 20 0 DBADRM COCCC1(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)CC1 ZINC000853206010 806002000 /nfs/dbraw/zinc/00/20/00/806002000.db2.gz KASNBNPJANLUQO-SNVBAGLBSA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)Cc1ccc(F)cn1)OC ZINC000853207576 806002140 /nfs/dbraw/zinc/00/21/40/806002140.db2.gz DZVJRHYNUVONBH-LLVKDONJSA-N -1 0 320.342 -0.129 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cnc(C)nc1C)OC ZINC000853205797 806002148 /nfs/dbraw/zinc/00/21/48/806002148.db2.gz HUOFXLHXXUNAQV-SNVBAGLBSA-N -1 0 317.367 -0.186 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cc2n(n1)CCC2)OC ZINC000853209049 806002785 /nfs/dbraw/zinc/00/27/85/806002785.db2.gz GIFFSCJZRYZENI-JTQLQIEISA-N -1 0 317.367 -0.450 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)OC ZINC000853209254 806002835 /nfs/dbraw/zinc/00/28/35/806002835.db2.gz IHLLKFSHBHNUPR-UKKRHICBSA-N -1 0 319.379 -0.291 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)OC ZINC000853209253 806003003 /nfs/dbraw/zinc/00/30/03/806003003.db2.gz IHLLKFSHBHNUPR-MMWGEVLESA-N -1 0 319.379 -0.291 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cnn(CCF)c1)OC ZINC000853209798 806003038 /nfs/dbraw/zinc/00/30/38/806003038.db2.gz NSZRJJXIDRODPU-SNVBAGLBSA-N -1 0 323.346 -0.426 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CN1CCCCC1=O)OC ZINC000853208530 806003054 /nfs/dbraw/zinc/00/30/54/806003054.db2.gz BXGIDZNOXUMHQX-JTQLQIEISA-N -1 0 322.383 -0.894 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cn(C(C)C)nn1)OC ZINC000853208436 806003175 /nfs/dbraw/zinc/00/31/75/806003175.db2.gz AUQZYSBDCQCWDX-VIFPVBQESA-N -1 0 320.371 -0.420 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cn(C(C)C)nn1)OC ZINC000853208434 806003421 /nfs/dbraw/zinc/00/34/21/806003421.db2.gz AUQZYSBDCQCWDX-SECBINFHSA-N -1 0 320.371 -0.420 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H](OC)C1CCC1)OC ZINC000853210699 806004265 /nfs/dbraw/zinc/00/42/65/806004265.db2.gz DNLMHIUMMCPYFM-QWRGUYRKSA-N -1 0 309.384 -0.091 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(N2CN=NC2=O)CC1 ZINC000854216293 806029124 /nfs/dbraw/zinc/02/91/24/806029124.db2.gz YETJUCSZXNYUEC-UHFFFAOYSA-N -1 0 312.330 -0.602 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCN1C[C@@H](C)OC[C@H]1C ZINC000854216309 806029495 /nfs/dbraw/zinc/02/94/95/806029495.db2.gz YPIUOOBFDLZWCD-GHMZBOCLSA-N -1 0 302.375 -0.538 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C(=O)O1 ZINC000854471252 806039259 /nfs/dbraw/zinc/03/92/59/806039259.db2.gz UYFZHLLWZJVETB-HZGVNTEJSA-N -1 0 314.319 -0.527 20 0 DBADRM CNS(=O)(=O)NCC(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000854507890 806039622 /nfs/dbraw/zinc/03/96/22/806039622.db2.gz WRXRBCYBNYDNSW-UHFFFAOYSA-N -1 0 314.323 -0.556 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2COC(=O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000854556372 806042791 /nfs/dbraw/zinc/04/27/91/806042791.db2.gz SSKZJIALYIUASK-LURJTMIESA-N -1 0 304.262 -0.210 20 0 DBADRM CCn1ncn([N-]C(=O)c2cc(Br)[nH]n2)c1=O ZINC000854628501 806047960 /nfs/dbraw/zinc/04/79/60/806047960.db2.gz MUEBBFPXJVMJFI-UHFFFAOYSA-N -1 0 301.104 -0.066 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCO[C@@H]1CCCCO1 ZINC000854551344 806043035 /nfs/dbraw/zinc/04/30/35/806043035.db2.gz HXDXEGCKELLNCN-GFCCVEGCSA-N -1 0 321.337 -0.269 20 0 DBADRM CCn1ncn([N-]C(=O)c2cn(C)nc2-c2cnn(C)c2)c1=O ZINC000854629349 806048101 /nfs/dbraw/zinc/04/81/01/806048101.db2.gz USTQWFMOBFEKDE-UHFFFAOYSA-N -1 0 316.325 -0.417 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000854610196 806045469 /nfs/dbraw/zinc/04/54/69/806045469.db2.gz CLNBVGDWVPVXRU-QMMMGPOBSA-N -1 0 309.326 -0.059 20 0 DBADRM CC(C)(O)[C@@H](Oc1ccccc1)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854609485 806045595 /nfs/dbraw/zinc/04/55/95/806045595.db2.gz RKQIOVDKJGVUAS-VIFPVBQESA-N -1 0 308.294 -0.022 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccccc1N1CCOCC1 ZINC000854611358 806045772 /nfs/dbraw/zinc/04/57/72/806045772.db2.gz YSZDUHJRQVQTKP-UHFFFAOYSA-N -1 0 305.294 -0.090 20 0 DBADRM CC1=C(C(=O)Nn2c(=O)[n-][nH]c2=O)[C@@H](C)n2ncnc2N1C ZINC000854610887 806046055 /nfs/dbraw/zinc/04/60/55/806046055.db2.gz MKSMQQXGUBJZAK-ZCFIWIBFSA-N -1 0 306.286 -0.664 20 0 DBADRM O=C(NC1CCC(C(=O)Nn2c(=O)[n-][nH]c2=O)CC1)C1CC1 ZINC000854611474 806046106 /nfs/dbraw/zinc/04/61/06/806046106.db2.gz XKTJADVGPBFKIC-UHFFFAOYSA-N -1 0 309.326 -0.156 20 0 DBADRM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854610186 806046230 /nfs/dbraw/zinc/04/62/30/806046230.db2.gz CEANWNYWZKBVOF-ZETCQYMHSA-N -1 0 314.346 -0.118 20 0 DBADRM O=C(CC1(Cn2cnnn2)CCCCC1)Nn1c(=O)[n-][nH]c1=O ZINC000854613375 806046784 /nfs/dbraw/zinc/04/67/84/806046784.db2.gz YZCWDJLDHJRHGH-UHFFFAOYSA-N -1 0 322.329 -0.213 20 0 DBADRM CCn1ncn([N-]C(=O)c2cncc(OCCOC)c2)c1=O ZINC000854628518 806047829 /nfs/dbraw/zinc/04/78/29/806047829.db2.gz NIODAVNRGYVOQG-UHFFFAOYSA-N -1 0 307.310 -0.131 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)CC12COC2 ZINC000854682205 806051404 /nfs/dbraw/zinc/05/14/04/806051404.db2.gz XJWDSPAAIRLUBI-SECBINFHSA-N -1 0 309.322 -0.223 20 0 DBADRM CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001317000154 806066171 /nfs/dbraw/zinc/06/61/71/806066171.db2.gz IZPSXLKVWXBGIK-ZJUUUORDSA-N -1 0 324.385 -0.652 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@](C)(OC)C(=O)OC(C)(C)C ZINC000855023930 806069867 /nfs/dbraw/zinc/06/98/67/806069867.db2.gz IFWNLEHGYRFHCW-CYBMUJFWSA-N -1 0 304.343 -0.083 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)CN1CCS(=O)(=O)CC1 ZINC000855131814 806070846 /nfs/dbraw/zinc/07/08/46/806070846.db2.gz BRZAESLTTHULJK-UHFFFAOYSA-N -1 0 322.383 -0.894 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCO[C@@H]1CC1(F)F ZINC000855609542 806083496 /nfs/dbraw/zinc/08/34/96/806083496.db2.gz CCNNEKVYLGERKG-MRVPVSSYSA-N -1 0 313.264 -0.388 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)[N-]OCCN1CCCC1=O ZINC000856038627 806093209 /nfs/dbraw/zinc/09/32/09/806093209.db2.gz IGOVJKNMHOSKMF-UHFFFAOYSA-N -1 0 321.399 -0.626 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]OCCN1CCCC1=O ZINC000856038131 806094000 /nfs/dbraw/zinc/09/40/00/806094000.db2.gz ZAUFDYCIZFZONB-SNVBAGLBSA-N -1 0 319.383 -0.919 20 0 DBADRM CN(C)[C@@H](C(=O)[N-]OCCN1CCCC1=O)c1cncn1C ZINC000856042700 806094307 /nfs/dbraw/zinc/09/43/07/806094307.db2.gz DCTOPJBDDOCKPG-CYBMUJFWSA-N -1 0 309.370 -0.307 20 0 DBADRM O=C([N-]OCCN1CCCC1=O)[C@@H]1COCCN1CC(F)F ZINC000856043046 806094844 /nfs/dbraw/zinc/09/48/44/806094844.db2.gz QNGYVSDYKOEYEN-JTQLQIEISA-N -1 0 321.324 -0.378 20 0 DBADRM O=C(CNC(=O)c1cccc(O)c1)[N-]OCCN1CCCC1=O ZINC000856042920 806094978 /nfs/dbraw/zinc/09/49/78/806094978.db2.gz PSCFAZGYBIISLC-UHFFFAOYSA-N -1 0 321.333 -0.208 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)[N-]OCCN1CCCC1=O ZINC000856041263 806095155 /nfs/dbraw/zinc/09/51/55/806095155.db2.gz AMSKCAMUYZVNJR-UHFFFAOYSA-N -1 0 306.384 -0.130 20 0 DBADRM CS(=O)(=O)N1CCN(CC(=O)[N-]OCC2CCC2)CC1 ZINC000856347893 806098413 /nfs/dbraw/zinc/09/84/13/806098413.db2.gz HBALOBHROHUYNO-UHFFFAOYSA-N -1 0 305.400 -0.589 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[N-]OCC1CCC1 ZINC000856347929 806098498 /nfs/dbraw/zinc/09/84/98/806098498.db2.gz IQBGBUXVHUZDMG-VIFPVBQESA-N -1 0 316.383 -0.065 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)[N-]O[C@H](CO)C(C)C ZINC000857285895 806115912 /nfs/dbraw/zinc/11/59/12/806115912.db2.gz NBEIXCUTNQNHQZ-SNVBAGLBSA-N -1 0 312.388 -0.993 20 0 DBADRM O=C(NCCn1cnnn1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000857467088 806117728 /nfs/dbraw/zinc/11/77/28/806117728.db2.gz RHVPIPYJLCUBJJ-UHFFFAOYSA-N -1 0 301.266 -0.554 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1noc2c1COCC2 ZINC000857846574 806128723 /nfs/dbraw/zinc/12/87/23/806128723.db2.gz DXDSQYGMQPYSPA-UHFFFAOYSA-N -1 0 304.324 -0.157 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1noc2c1COCC2 ZINC000857851788 806128824 /nfs/dbraw/zinc/12/88/24/806128824.db2.gz RLVDSQIONRZKLL-ZETCQYMHSA-N -1 0 304.324 -0.158 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)OC2=O)on1 ZINC000859162351 806176635 /nfs/dbraw/zinc/17/66/35/806176635.db2.gz ZTHXUHBVFBMZBA-IYSWYEEDSA-N -1 0 304.280 -0.557 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C(=O)OCC2(C)C)on1 ZINC000859186116 806177603 /nfs/dbraw/zinc/17/76/03/806177603.db2.gz SFNRKAGKNVGTEU-MRVPVSSYSA-N -1 0 318.307 -0.309 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCOC(=O)C2CC2)on1 ZINC000859184905 806178024 /nfs/dbraw/zinc/17/80/24/806178024.db2.gz QVVCGECUXXRRQA-UHFFFAOYSA-N -1 0 318.307 -0.307 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C(=O)N(C)OC)on1 ZINC000859403636 806191138 /nfs/dbraw/zinc/19/11/38/806191138.db2.gz ZFPRFEJPTMVDIX-LURJTMIESA-N -1 0 321.311 -0.852 20 0 DBADRM COCCO[N-]C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC000859888541 806206980 /nfs/dbraw/zinc/20/69/80/806206980.db2.gz ULZSHAVFRDDKDF-UHFFFAOYSA-N -1 0 303.359 -0.510 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)OCc3n[nH]c(=O)[n-]3)CC2=O)cn1 ZINC000859900857 806208045 /nfs/dbraw/zinc/20/80/45/806208045.db2.gz GSXNISVIHARZFK-SSDOTTSWSA-N -1 0 306.282 -0.660 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OCCOCCO)cn1 ZINC000859922969 806210463 /nfs/dbraw/zinc/21/04/63/806210463.db2.gz RCXUUFCQNGXAIB-UHFFFAOYSA-N -1 0 304.324 -0.381 20 0 DBADRM COCC(=O)COC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859923872 806210473 /nfs/dbraw/zinc/21/04/73/806210473.db2.gz GBDISDSIOMXEDZ-UHFFFAOYSA-N -1 0 302.308 -0.175 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H]2CCCNC2=O)cn1 ZINC000859924805 806210902 /nfs/dbraw/zinc/21/09/02/806210902.db2.gz ZFFBOEILGHYMMY-SECBINFHSA-N -1 0 313.335 -0.112 20 0 DBADRM CN1CC(=O)Nc2cc(C(=O)OCc3n[nH]c(=O)[n-]3)cnc21 ZINC000860283738 806224779 /nfs/dbraw/zinc/22/47/79/806224779.db2.gz BMAGXSPSAUUAEE-UHFFFAOYSA-N -1 0 304.266 -0.349 20 0 DBADRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)[C@@H]1COC(=O)N1 ZINC000860449832 806231731 /nfs/dbraw/zinc/23/17/31/806231731.db2.gz NEUYPIBZTQIBNR-VIFPVBQESA-N -1 0 302.283 -0.120 20 0 DBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)N(C)C(C)C)c1 ZINC000860529078 806233911 /nfs/dbraw/zinc/23/39/11/806233911.db2.gz HTKTYCKAAYCQEI-UHFFFAOYSA-N -1 0 318.355 -0.629 20 0 DBADRM O=C([N-]Cc1ccc(C(=O)NC(CO)CO)o1)C(F)(F)F ZINC000860514690 806234013 /nfs/dbraw/zinc/23/40/13/806234013.db2.gz HVBQJZVRESZDHJ-UHFFFAOYSA-N -1 0 310.228 -0.459 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000860509240 806234100 /nfs/dbraw/zinc/23/41/00/806234100.db2.gz XZJXBLALZUAKKO-ZETCQYMHSA-N -1 0 322.774 -0.351 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000860508330 806234226 /nfs/dbraw/zinc/23/42/26/806234226.db2.gz OBVXWLQSYVZAMT-UHFFFAOYSA-N -1 0 312.351 -0.062 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000860519259 806234257 /nfs/dbraw/zinc/23/42/57/806234257.db2.gz ZTGALQILVZXXEA-MNOVXSKESA-N -1 0 306.384 -0.228 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)c1ccnc(N2CCOCC2)n1 ZINC000860507920 806234395 /nfs/dbraw/zinc/23/43/95/806234395.db2.gz GATDGTUWHOSVSG-UHFFFAOYSA-N -1 0 314.367 -0.219 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cn2cc(C)ccc2n1 ZINC000860537996 806235670 /nfs/dbraw/zinc/23/56/70/806235670.db2.gz VJZZCTHGICXIGI-UHFFFAOYSA-N -1 0 311.319 -0.125 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860540074 806235147 /nfs/dbraw/zinc/23/51/47/806235147.db2.gz UCACBSGOVVXRTE-QMMMGPOBSA-N -1 0 300.340 -0.761 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@]1(C)Br ZINC000860538173 806235159 /nfs/dbraw/zinc/23/51/59/806235159.db2.gz ZFUVRYDEDNRRDM-SVGQVSJJSA-N -1 0 314.157 -0.221 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cc(C)c(C(=O)OC)o1 ZINC000860536948 806235263 /nfs/dbraw/zinc/23/52/63/806235263.db2.gz HZNUHMRBWZVGLN-UHFFFAOYSA-N -1 0 319.291 -0.393 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860540070 806235357 /nfs/dbraw/zinc/23/53/57/806235357.db2.gz UCACBSGOVVXRTE-MRVPVSSYSA-N -1 0 300.340 -0.761 20 0 DBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC000860548252 806235432 /nfs/dbraw/zinc/23/54/32/806235432.db2.gz XUCIGRNVGUIMSU-BDAKNGLRSA-N -1 0 313.335 -0.772 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC000860539173 806235440 /nfs/dbraw/zinc/23/54/40/806235440.db2.gz WPFYHFDYISEIIL-CYBMUJFWSA-N -1 0 318.395 -0.225 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C(C)C ZINC000860549323 806236265 /nfs/dbraw/zinc/23/62/65/806236265.db2.gz DENVWKABCYDXRZ-LLVKDONJSA-N -1 0 322.383 -0.454 20 0 DBADRM O=C([N-]S(=O)(=O)CCOc1ccccc1)[C@@H]1COC(=O)N1 ZINC000860571365 806236296 /nfs/dbraw/zinc/23/62/96/806236296.db2.gz BCLZEMPVXGICFC-JTQLQIEISA-N -1 0 314.319 -0.380 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1nccc1C ZINC000860664723 806241862 /nfs/dbraw/zinc/24/18/62/806241862.db2.gz DJARRCGWEZOUPF-UWVGGRQHSA-N -1 0 317.367 -0.165 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccnc2ccnn21 ZINC000860597314 806237364 /nfs/dbraw/zinc/23/73/64/806237364.db2.gz FJQAQOMAZBHIAS-UHFFFAOYSA-N -1 0 313.339 -0.718 20 0 DBADRM CNC(=O)CCOC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000860583135 806237872 /nfs/dbraw/zinc/23/78/72/806237872.db2.gz JKHKYUZZBPWEDO-UHFFFAOYSA-N -1 0 301.324 -0.254 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)Cc1ccc(C(N)=O)nc1 ZINC000860599411 806237930 /nfs/dbraw/zinc/23/79/30/806237930.db2.gz HCIDRUIZCJADKV-UHFFFAOYSA-N -1 0 314.367 -0.574 20 0 DBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)CC2CCC2)c1 ZINC000860625516 806238819 /nfs/dbraw/zinc/23/88/19/806238819.db2.gz OUWIWHBIJSTQCU-UHFFFAOYSA-N -1 0 315.351 -0.084 20 0 DBADRM CCc1nocc1C(=O)[N-]S(=O)(=O)CCOCCOC ZINC000860613294 806238838 /nfs/dbraw/zinc/23/88/38/806238838.db2.gz ZPJAYSXFGUFPQX-UHFFFAOYSA-N -1 0 306.340 -0.040 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1)C(C)C ZINC000860632211 806239066 /nfs/dbraw/zinc/23/90/66/806239066.db2.gz UDOQXKFODGSMHT-GHMZBOCLSA-N -1 0 306.384 -0.370 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C(C)C ZINC000860650611 806240205 /nfs/dbraw/zinc/24/02/05/806240205.db2.gz RHORVCDGNPUIDH-VXNVDRBHSA-N -1 0 308.356 -0.845 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)c1ccc(F)cc1 ZINC000860648131 806240300 /nfs/dbraw/zinc/24/03/00/806240300.db2.gz KCWRWJRCMYQDAA-SNVBAGLBSA-N -1 0 304.299 -0.556 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C(C)C ZINC000860650610 806240747 /nfs/dbraw/zinc/24/07/47/806240747.db2.gz RHORVCDGNPUIDH-IONNQARKSA-N -1 0 308.356 -0.845 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C ZINC000860667020 806241453 /nfs/dbraw/zinc/24/14/53/806241453.db2.gz XDZGIHUPQNPSCE-UTLUCORTSA-N -1 0 322.383 -0.599 20 0 DBADRM COCCCn1cc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cn1 ZINC000860688979 806243009 /nfs/dbraw/zinc/24/30/09/806243009.db2.gz CTMOZTTZQOYIAV-UHFFFAOYSA-N -1 0 313.339 -0.239 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)Cc1ccc(C(N)=O)nc1 ZINC000860706712 806243158 /nfs/dbraw/zinc/24/31/58/806243158.db2.gz IQVQLBJTCVLQLR-MRVPVSSYSA-N -1 0 315.351 -0.796 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)[C@@H]1COC(=O)N1 ZINC000860757255 806244771 /nfs/dbraw/zinc/24/47/71/806244771.db2.gz QYJYVVFZWZXVLB-ZETCQYMHSA-N -1 0 319.364 -0.452 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2conc2C)CC1 ZINC000860784241 806246742 /nfs/dbraw/zinc/24/67/42/806246742.db2.gz WTIQHWDAIVIXKF-UHFFFAOYSA-N -1 0 316.339 -0.878 20 0 DBADRM O=C([N-]S(=O)(=O)CCc1ccccc1F)[C@@H]1COC(=O)N1 ZINC000860876291 806250964 /nfs/dbraw/zinc/25/09/64/806250964.db2.gz OBDHNJPLQNAONA-JTQLQIEISA-N -1 0 316.310 -0.077 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)C1CC1 ZINC000860892902 806251395 /nfs/dbraw/zinc/25/13/95/806251395.db2.gz ZBXDXPPBOPBZSS-QWRGUYRKSA-N -1 0 309.384 -0.091 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21 ZINC001318022348 806252635 /nfs/dbraw/zinc/25/26/35/806252635.db2.gz LRSZUCDNPDCEOK-OYNCUSHFSA-N -1 0 321.424 -0.212 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861164315 806260166 /nfs/dbraw/zinc/26/01/66/806260166.db2.gz PWEKRRFWCZUCPN-UHFFFAOYSA-N -1 0 300.283 -0.024 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)C1=O ZINC000861139405 806257558 /nfs/dbraw/zinc/25/75/58/806257558.db2.gz HEPZYYISBZTNSC-IUCAKERBSA-N -1 0 304.368 -0.522 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000861139031 806257704 /nfs/dbraw/zinc/25/77/04/806257704.db2.gz NNNJWGIUBPAOFP-IUCAKERBSA-N -1 0 304.368 -0.379 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)O1 ZINC000861158914 806259390 /nfs/dbraw/zinc/25/93/90/806259390.db2.gz KWESNRGXEPRZKW-NTSWFWBYSA-N -1 0 312.294 -0.737 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861162539 806259754 /nfs/dbraw/zinc/25/97/54/806259754.db2.gz WZOXLYNJQQCRJZ-UHFFFAOYSA-N -1 0 321.305 -0.019 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)nn1 ZINC000861159680 806259842 /nfs/dbraw/zinc/25/98/42/806259842.db2.gz PNJHGTCGFVLRQZ-UHFFFAOYSA-N -1 0 324.309 -0.218 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1csnc1Cl ZINC000861397362 806267783 /nfs/dbraw/zinc/26/77/83/806267783.db2.gz WCIZTCLFXPLPTM-UHFFFAOYSA-N -1 0 313.744 -0.043 20 0 DBADRM CCn1ncc(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000861463308 806269416 /nfs/dbraw/zinc/26/94/16/806269416.db2.gz WBEAGZIGNUFHKY-NOZJJQNGSA-N -1 0 309.326 -0.459 20 0 DBADRM C[C@@](O)(CO)CNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000861486603 806269529 /nfs/dbraw/zinc/26/95/29/806269529.db2.gz ZJNZEIQNYFAFDO-NSHDSACASA-N -1 0 324.255 -0.069 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000861475250 806269625 /nfs/dbraw/zinc/26/96/25/806269625.db2.gz REORMSYXRGYDIY-JRKPZEMJSA-N -1 0 315.326 -0.863 20 0 DBADRM CCCCNC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001318312931 806282891 /nfs/dbraw/zinc/28/28/91/806282891.db2.gz CIIUICAIIWAAHN-UHFFFAOYSA-N -1 0 307.310 -0.469 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCCO2)CC[C@H]1C(=O)[O-] ZINC000861716304 806283069 /nfs/dbraw/zinc/28/30/69/806283069.db2.gz QYOYJEKXWAGAHJ-GMTAPVOTSA-N -1 0 314.338 -0.913 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCCO2)CC[C@@H]1C(=O)[O-] ZINC000861716307 806283290 /nfs/dbraw/zinc/28/32/90/806283290.db2.gz QYOYJEKXWAGAHJ-VWYCJHECSA-N -1 0 314.338 -0.913 20 0 DBADRM Cc1noc(CCCNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001318323045 806283912 /nfs/dbraw/zinc/28/39/12/806283912.db2.gz IUTHMGSUUVKQSE-UHFFFAOYSA-N -1 0 317.309 -0.488 20 0 DBADRM CCOC(=O)C1=CC[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000861720965 806284164 /nfs/dbraw/zinc/28/41/64/806284164.db2.gz LBDFHFGBTVWBTP-JTQLQIEISA-N -1 0 312.322 -0.312 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)n1 ZINC000861722290 806284479 /nfs/dbraw/zinc/28/44/79/806284479.db2.gz YUAKRPANJFWLRB-MWLCHTKSSA-N -1 0 323.353 -0.517 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)N(C)C)c1 ZINC001318425324 806297318 /nfs/dbraw/zinc/29/73/18/806297318.db2.gz JAYSBWUHFRIQEP-SNAWJCMRSA-N -1 0 312.351 -0.623 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccnc(N2CCOCC2)n1 ZINC000862130837 806312950 /nfs/dbraw/zinc/31/29/50/806312950.db2.gz REUIWGXJSYSKMW-UHFFFAOYSA-N -1 0 309.326 -0.889 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC001318634927 806317811 /nfs/dbraw/zinc/31/78/11/806317811.db2.gz REPKZKUAZMRCJY-UHFFFAOYSA-N -1 0 316.325 -0.550 20 0 DBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1C[C@H](O)[C@@H](O)C1 ZINC000862581390 806320828 /nfs/dbraw/zinc/32/08/28/806320828.db2.gz OJVQSEAPWXBAJQ-QWRGUYRKSA-N -1 0 321.358 -0.751 20 0 DBADRM COC(=O)C1=CC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000862668619 806328121 /nfs/dbraw/zinc/32/81/21/806328121.db2.gz PPUBFFYNZYCVGH-VIFPVBQESA-N -1 0 317.305 -0.551 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001319032856 806339685 /nfs/dbraw/zinc/33/96/85/806339685.db2.gz GFVHIZXIZFVNQF-UHNVWZDZSA-N -1 0 307.232 -0.416 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])n1C ZINC000863410102 806356030 /nfs/dbraw/zinc/35/60/30/806356030.db2.gz UPHHYXOOZJMCOA-SECBINFHSA-N -1 0 303.340 -0.407 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])nc1C ZINC000863411006 806356212 /nfs/dbraw/zinc/35/62/12/806356212.db2.gz RBZVVMZJXVDRIL-VIFPVBQESA-N -1 0 303.340 -0.078 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1CO[C@H](C2CC2)C1 ZINC000863287498 806350499 /nfs/dbraw/zinc/35/04/99/806350499.db2.gz LMQMTVKFWVSMND-KOLCDFICSA-N -1 0 303.322 -0.245 20 0 DBADRM CC(=O)C[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC000863408970 806356417 /nfs/dbraw/zinc/35/64/17/806356417.db2.gz VUWQHKHZCMDPFQ-VIFPVBQESA-N -1 0 308.356 -0.636 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-] ZINC000863406976 806355666 /nfs/dbraw/zinc/35/56/66/806355666.db2.gz BYVAVWZSNBLMTI-QMMMGPOBSA-N -1 0 309.340 -0.463 20 0 DBADRM COc1ncc(CCNC(=O)c2cnc([O-])n(C)c2=O)cn1 ZINC000863444154 806358240 /nfs/dbraw/zinc/35/82/40/806358240.db2.gz LABCOHPDMMQXNP-UHFFFAOYSA-N -1 0 305.294 -0.743 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)c1cc(=O)[nH][n-]1 ZINC000863498526 806359906 /nfs/dbraw/zinc/35/99/06/806359906.db2.gz OGVOUZGILCABAQ-GFCCVEGCSA-N -1 0 317.349 -0.726 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)C1 ZINC000863748378 806370911 /nfs/dbraw/zinc/37/09/11/806370911.db2.gz XKHAPKSLKVMIBS-LMLFDSFASA-N -1 0 324.333 -0.813 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)c2cc(C(=O)[O-])nn2C)CS1(=O)=O ZINC000864057814 806386165 /nfs/dbraw/zinc/38/61/65/806386165.db2.gz NJIUEAGKUFFAGN-SFYZADRCSA-N -1 0 315.351 -0.186 20 0 DBADRM CCn1cc(C(=O)C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cn1 ZINC001319524992 806388064 /nfs/dbraw/zinc/38/80/64/806388064.db2.gz LOCPCALTPVGFJY-VIFPVBQESA-N -1 0 305.298 -0.801 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)c1ccnc2c1nnn2C ZINC000864118469 806390181 /nfs/dbraw/zinc/39/01/81/806390181.db2.gz XYMSWEPPXOIQFN-UHFFFAOYSA-N -1 0 307.310 -0.073 20 0 DBADRM C[C@@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)c1ccnn1C ZINC000864133297 806391087 /nfs/dbraw/zinc/39/10/87/806391087.db2.gz MLCKWSZAJFYMOF-MRVPVSSYSA-N -1 0 304.310 -0.103 20 0 DBADRM CCO[C@@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)[C@H]1CCOC1 ZINC000864133409 806391142 /nfs/dbraw/zinc/39/11/42/806391142.db2.gz OJVRQBCQKRLKAA-JOYOIKCWSA-N -1 0 324.337 -0.199 20 0 DBADRM Cc1cc(C(=O)NCCOCC(=O)[O-])ccc1S(N)(=O)=O ZINC000864171976 806391355 /nfs/dbraw/zinc/39/13/55/806391355.db2.gz MRZLHBCBVUAZEE-UHFFFAOYSA-N -1 0 316.335 -0.527 20 0 DBADRM CS(=O)(=O)c1ccc(/C=C/C(=O)NCCOCC(=O)[O-])o1 ZINC000864139203 806391602 /nfs/dbraw/zinc/39/16/02/806391602.db2.gz IWNMUMCGLIGVIT-DUXPYHPUSA-N -1 0 317.319 -0.086 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@](C)(CC(=O)[O-])C2CC2)S1(=O)=O ZINC000864201223 806391773 /nfs/dbraw/zinc/39/17/73/806391773.db2.gz PLRSONMMHLEKMD-JOYOIKCWSA-N -1 0 304.368 -0.220 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000864213712 806391902 /nfs/dbraw/zinc/39/19/02/806391902.db2.gz CAAWTYLOQXCALX-ONGXEEELSA-N -1 0 322.383 -0.736 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC2CC(C(=O)[O-])C2)o1 ZINC000864205814 806392081 /nfs/dbraw/zinc/39/20/81/806392081.db2.gz VDIAJUSMZPVRDX-UHFFFAOYSA-N -1 0 302.308 -0.219 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000864213405 806392186 /nfs/dbraw/zinc/39/21/86/806392186.db2.gz LTLNNOIGWJOTDG-AEJSXWLSSA-N -1 0 302.352 -0.486 20 0 DBADRM NS(=O)(=O)c1ccc(CC(=O)NC2CC(C(=O)[O-])C2)cc1 ZINC000864205910 806392215 /nfs/dbraw/zinc/39/22/15/806392215.db2.gz XECSVJYYYHGFTK-UHFFFAOYSA-N -1 0 312.347 -0.144 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[N-]OC(C)(C)C ZINC001319590056 806394431 /nfs/dbraw/zinc/39/44/31/806394431.db2.gz YOULIJLOAUSZJW-MRVPVSSYSA-N -1 0 304.372 -0.067 20 0 DBADRM Cn1cnc(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n1 ZINC001319694938 806403168 /nfs/dbraw/zinc/40/31/68/806403168.db2.gz BKQHFMJDRLGPRI-UHFFFAOYSA-N -1 0 301.266 -0.506 20 0 DBADRM C[C@@H](C(=O)NCc1nc(=O)o[n-]1)N1C(=O)NC2(CCCC2)C1=O ZINC001319723182 806405408 /nfs/dbraw/zinc/40/54/08/806405408.db2.gz FJEMTOCSKBIHSF-ZETCQYMHSA-N -1 0 323.309 -0.768 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2nnc3ccccc3c2O)C1=O ZINC001319735128 806406464 /nfs/dbraw/zinc/40/64/64/806406464.db2.gz NLFFIMNCKJXALR-UHFFFAOYSA-N -1 0 301.262 -0.126 20 0 DBADRM COc1ccc(Cn2[n-]nnc2=NCc2cnnn2C)cc1 ZINC000865810170 806425680 /nfs/dbraw/zinc/42/56/80/806425680.db2.gz MWMGJBUNAGYXML-UHFFFAOYSA-N -1 0 300.326 -0.108 20 0 DBADRM CN1C(=O)CN([N-]S(=O)(=O)c2cc(Cl)cnc2N)C1=O ZINC001319991468 806427467 /nfs/dbraw/zinc/42/74/67/806427467.db2.gz AJVJDFRWHOFKGU-UHFFFAOYSA-N -1 0 319.730 -0.596 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC001320032320 806431677 /nfs/dbraw/zinc/43/16/77/806431677.db2.gz WFTNVLDWKKONGR-UWVGGRQHSA-N -1 0 311.319 -0.776 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCOC[C@H]1CCOC1 ZINC000866759751 806456405 /nfs/dbraw/zinc/45/64/05/806456405.db2.gz CTACTLZELLWHIO-YPMLDQLKSA-N -1 0 314.429 -0.008 20 0 DBADRM O=C(CSc1nnc2ccccn21)NCc1n[nH]c(=O)[n-]1 ZINC001320278040 806467808 /nfs/dbraw/zinc/46/78/08/806467808.db2.gz QKUXOMRXUZNXOH-UHFFFAOYSA-N -1 0 305.323 -0.039 20 0 DBADRM COc1c(F)cccc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC000867076106 806470239 /nfs/dbraw/zinc/47/02/39/806470239.db2.gz QTFDCTAGKCMGKW-UHFFFAOYSA-N -1 0 317.298 -0.078 20 0 DBADRM C[S@](=O)C1(C[N-]S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC000867227953 806482234 /nfs/dbraw/zinc/48/22/34/806482234.db2.gz DTDQJBPAKUESBB-INIZCTEOSA-N -1 0 314.454 -0.006 20 0 DBADRM CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)c1ccnn1C ZINC001320378447 806482297 /nfs/dbraw/zinc/48/22/97/806482297.db2.gz IMHPMFMLSPSTIE-UHFFFAOYSA-N -1 0 316.383 -0.079 20 0 DBADRM C[C@H](CN(C)C(=O)CCC[C@]1(C)NC(=O)NC1=O)c1nnn[n-]1 ZINC001320397234 806485479 /nfs/dbraw/zinc/48/54/79/806485479.db2.gz CPMDPGLHAWFNMN-OQPBUACISA-N -1 0 323.357 -0.470 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O ZINC001320397284 806485953 /nfs/dbraw/zinc/48/59/53/806485953.db2.gz AFJXQBQAMNPSPE-UHFFFAOYSA-N -1 0 315.413 -0.316 20 0 DBADRM COCC1=CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001320421279 806487620 /nfs/dbraw/zinc/48/76/20/806487620.db2.gz JRODZNKKOQROHA-UHFFFAOYSA-N -1 0 303.322 -0.124 20 0 DBADRM CC[C@@](COC)([N-]S(=O)(=O)CCn1cccn1)C(=O)OC ZINC000867378202 806492625 /nfs/dbraw/zinc/49/26/25/806492625.db2.gz TVTCEAOSSWFKHR-LBPRGKRZSA-N -1 0 319.383 -0.229 20 0 DBADRM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000867368844 806493283 /nfs/dbraw/zinc/49/32/83/806493283.db2.gz IJYABXDMTVEITE-NXEZZACHSA-N -1 0 312.413 -0.114 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]N2CCCC2=O)cn1C ZINC000867594382 806509994 /nfs/dbraw/zinc/50/99/94/806509994.db2.gz JLAJLGAXAULXSF-UHFFFAOYSA-N -1 0 301.324 -0.373 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)[C@@H]1CCCCS1(=O)=O ZINC001320720716 806520885 /nfs/dbraw/zinc/52/08/85/806520885.db2.gz UOPUIJKNWTZWFL-QMMMGPOBSA-N -1 0 302.356 -0.474 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC001320739115 806523255 /nfs/dbraw/zinc/52/32/55/806523255.db2.gz ASPDLGSUJJWFPG-UHFFFAOYSA-N -1 0 320.305 -0.493 20 0 DBADRM COCCc1ccccc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC001320743140 806523806 /nfs/dbraw/zinc/52/38/06/806523806.db2.gz IQQGKBGZURZPDI-UHFFFAOYSA-N -1 0 304.310 -0.357 20 0 DBADRM CN(C)S(=O)(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000867892673 806531363 /nfs/dbraw/zinc/53/13/63/806531363.db2.gz DUXVDSNIMFJDNS-QMMMGPOBSA-N -1 0 303.306 -0.064 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC([C@@H]3CCOC3)C2)C1 ZINC000868340612 806544509 /nfs/dbraw/zinc/54/45/09/806544509.db2.gz ZDHTZWOBNFZDIO-GHMZBOCLSA-N -1 0 310.350 -0.196 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 ZINC001320921699 806542167 /nfs/dbraw/zinc/54/21/67/806542167.db2.gz BNKKMRLVZOUMTH-UHFFFAOYSA-N -1 0 306.282 -0.405 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O ZINC001320922433 806542474 /nfs/dbraw/zinc/54/24/74/806542474.db2.gz GQROGPNSQHGKQL-UHFFFAOYSA-N -1 0 301.324 -0.302 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000868331002 806543205 /nfs/dbraw/zinc/54/32/05/806543205.db2.gz PVRLTBAYORRFKK-LLVKDONJSA-N -1 0 308.338 -0.298 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](F)(CO)C2)C1 ZINC000868339809 806543865 /nfs/dbraw/zinc/54/38/65/806543865.db2.gz KYEVZEKQVMHFOB-RNCFNFMXSA-N -1 0 302.302 -0.758 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](n3cccn3)C2)C1 ZINC000868346783 806544226 /nfs/dbraw/zinc/54/42/26/806544226.db2.gz AFCAFPVFONEIES-VXGBXAGGSA-N -1 0 320.349 -0.020 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCC3(C2)OCCO3)C1 ZINC000868334358 806544339 /nfs/dbraw/zinc/54/43/39/806544339.db2.gz LQFQOLLCOFWLLE-SNVBAGLBSA-N -1 0 312.322 -0.715 20 0 DBADRM C[C@H]1[C@H](CO)CCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000868341279 806544655 /nfs/dbraw/zinc/54/46/55/806544655.db2.gz QKZYVWFXTRLWDM-TUAOUCFPSA-N -1 0 312.366 -0.071 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(CNC(C)=O)cc1 ZINC001320973632 806548035 /nfs/dbraw/zinc/54/80/35/806548035.db2.gz JQBVFPFWEHLPTQ-UHFFFAOYSA-N -1 0 309.322 -0.045 20 0 DBADRM Cc1cnn(CC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)c1 ZINC001320987373 806551773 /nfs/dbraw/zinc/55/17/73/806551773.db2.gz ZTVOPHBYUREBPN-IHWYPQMZSA-N -1 0 305.342 -0.523 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000868747555 806563609 /nfs/dbraw/zinc/56/36/09/806563609.db2.gz GBRWUXHYJYDSCF-JGVFFNPUSA-N -1 0 313.276 -0.134 20 0 DBADRM O=C(c1cnn2ccncc12)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001321079666 806568435 /nfs/dbraw/zinc/56/84/35/806568435.db2.gz KOGZZLAJXUZRKM-SNVBAGLBSA-N -1 0 300.282 -0.544 20 0 DBADRM Cc1c(CC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cnn1C ZINC001321093371 806570761 /nfs/dbraw/zinc/57/07/61/806570761.db2.gz XHXVOBQZTRRHIO-ONEGZZNKSA-N -1 0 319.369 -0.443 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCc2[nH]cnc2C12CCOCC2 ZINC000869035901 806570902 /nfs/dbraw/zinc/57/09/02/806570902.db2.gz ZNAJHSNCUHFYFQ-UHFFFAOYSA-N -1 0 303.322 -0.324 20 0 DBADRM Cn1ccc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cc1=O ZINC001321120550 806575353 /nfs/dbraw/zinc/57/53/53/806575353.db2.gz KXRIYUWHFAPQJB-IHWYPQMZSA-N -1 0 318.337 -0.715 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)C(=O)Nc1nc2c(s1)CCC2 ZINC001321129210 806576260 /nfs/dbraw/zinc/57/62/60/806576260.db2.gz ACVUMEBAUYZWPM-UHFFFAOYSA-N -1 0 308.323 -0.290 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cnn(Cc2cccnc2)c1 ZINC001321131600 806577520 /nfs/dbraw/zinc/57/75/20/806577520.db2.gz SJZUHWIAZJAORF-UHFFFAOYSA-N -1 0 319.321 -0.041 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(C(N)=O)nc2)C1=O ZINC001321204642 806586344 /nfs/dbraw/zinc/58/63/44/806586344.db2.gz PWXAXSKMFZTRGJ-CYBMUJFWSA-N -1 0 305.294 -0.454 20 0 DBADRM Cn1[n-]c(C(=O)N2CCO[C@H](CN3CCOCC3)C2)cc1=O ZINC000870057631 806592042 /nfs/dbraw/zinc/59/20/42/806592042.db2.gz HITOEDYFSDNCJJ-LLVKDONJSA-N -1 0 310.354 -0.701 20 0 DBADRM CC(C)C[C@]1(C(=O)[N-]S(=O)(=O)N2CCCC2)CCNC1=O ZINC000870168391 806596543 /nfs/dbraw/zinc/59/65/43/806596543.db2.gz BGSKDQMKOWEZDS-CYBMUJFWSA-N -1 0 317.411 -0.004 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)[C@H](C)COC)cn1 ZINC000870205821 806597047 /nfs/dbraw/zinc/59/70/47/806597047.db2.gz VZQUXYHSJXIYSR-SECBINFHSA-N -1 0 305.356 -0.376 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000870203561 806597127 /nfs/dbraw/zinc/59/71/27/806597127.db2.gz JMAVDDWIENVCQG-MXWKQRLJSA-N -1 0 307.368 -0.337 20 0 DBADRM O=C(Cc1cnn2c1CCCC2)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000870203216 806597438 /nfs/dbraw/zinc/59/74/38/806597438.db2.gz ATTSGRVJLAOXJF-NSHDSACASA-N -1 0 313.379 -0.003 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000870214436 806597515 /nfs/dbraw/zinc/59/75/15/806597515.db2.gz MYNQIVVCDSONFA-RQJHMYQMSA-N -1 0 320.289 -0.355 20 0 DBADRM CCO[C@@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)[C@@H]1CCOC1 ZINC000870214298 806597537 /nfs/dbraw/zinc/59/75/37/806597537.db2.gz LDXFYZCCUOXQHH-GHMZBOCLSA-N -1 0 322.383 -0.879 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H](OCC)[C@@H]1CCOC1 ZINC000870199346 806597666 /nfs/dbraw/zinc/59/76/66/806597666.db2.gz LEDVYLAYKJVNIV-MNOVXSKESA-N -1 0 309.384 -0.090 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cn1 ZINC000870256873 806598212 /nfs/dbraw/zinc/59/82/12/806598212.db2.gz AKOWFZYALXVEHH-JTQLQIEISA-N -1 0 317.367 -0.374 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cncc(OC)c1C ZINC000870236574 806598528 /nfs/dbraw/zinc/59/85/28/806598528.db2.gz MGHOQFFQSZGTRY-UHFFFAOYSA-N -1 0 317.367 -0.049 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@]12CCC[C@H]1OCC2 ZINC000870236943 806598605 /nfs/dbraw/zinc/59/86/05/806598605.db2.gz ZVCPAJBMKQWVNR-PWSUYJOCSA-N -1 0 306.384 -0.115 20 0 DBADRM Cn1ncc(Br)c1CNC(=O)c1cc(=O)[nH][n-]1 ZINC000870315519 806599722 /nfs/dbraw/zinc/59/97/22/806599722.db2.gz GLEGETCZOXILJF-UHFFFAOYSA-N -1 0 300.116 -0.325 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)c1ccccc1CN(C)C ZINC000870645299 806604192 /nfs/dbraw/zinc/60/41/92/806604192.db2.gz XPCDNVYMZSPAKQ-UHFFFAOYSA-N -1 0 313.379 -0.311 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@H](O)[C@H](C)O ZINC000871135294 806620477 /nfs/dbraw/zinc/62/04/77/806620477.db2.gz NYRKDERQKDUFGJ-FXQIFTODSA-N -1 0 300.277 -0.453 20 0 DBADRM NS(=O)(=O)NC[C@@H]1CCCN(c2cc(C(=O)[O-])ncn2)C1 ZINC000871594051 806640676 /nfs/dbraw/zinc/64/06/76/806640676.db2.gz YYWGJZPBZYHDCL-QMMMGPOBSA-N -1 0 315.355 -0.816 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]([C@H]2CCCO2)CCN1S(=O)(=O)NC1CC1 ZINC000871740519 806641710 /nfs/dbraw/zinc/64/17/10/806641710.db2.gz QGZZTALEXMSXSM-MXWKQRLJSA-N -1 0 304.368 -0.063 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000871773007 806642319 /nfs/dbraw/zinc/64/23/19/806642319.db2.gz YMRSYVOASJOSDG-PWSUYJOCSA-N -1 0 307.368 -0.082 20 0 DBADRM CO[C@]1(C(=O)[O-])CCCN(S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000871773005 806642452 /nfs/dbraw/zinc/64/24/52/806642452.db2.gz YMRSYVOASJOSDG-CMPLNLGQSA-N -1 0 307.368 -0.082 20 0 DBADRM O=C(Cn1ncc2cccnc21)[N-]S(=O)(=O)N1CCCC1 ZINC000873499982 806686261 /nfs/dbraw/zinc/68/62/61/806686261.db2.gz MERSCJYLQVPTRK-UHFFFAOYSA-N -1 0 309.351 -0.112 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000873517162 806687468 /nfs/dbraw/zinc/68/74/68/806687468.db2.gz XBZRKYVABCMLQN-LPEHRKFASA-N -1 0 305.352 -0.189 20 0 DBADRM O=C(CN1CCS(=O)(=O)CC1)[N-]Oc1ccccc1F ZINC000874912981 806723266 /nfs/dbraw/zinc/72/32/66/806723266.db2.gz YQDRLIBRDOHBMB-UHFFFAOYSA-N -1 0 302.327 -0.034 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc(C=O)n1C)[C@H](C)C(=O)[O-] ZINC000874964391 806724316 /nfs/dbraw/zinc/72/43/16/806724316.db2.gz SUYBOOZSCIZUAN-SECBINFHSA-N -1 0 309.322 -0.111 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC001322244247 806725795 /nfs/dbraw/zinc/72/57/95/806725795.db2.gz AZKOMNVDSFYNGG-JTQLQIEISA-N -1 0 301.343 -0.804 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC001322813977 806784810 /nfs/dbraw/zinc/78/48/10/806784810.db2.gz LHGOTWLOPWRIJP-VIFPVBQESA-N -1 0 303.384 -0.477 20 0 DBADRM CC1(C)OCC(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)CO1 ZINC001322909091 806797963 /nfs/dbraw/zinc/79/79/63/806797963.db2.gz SCUOWQYABCBCNF-SECBINFHSA-N -1 0 302.327 -0.662 20 0 DBADRM C[C@@H](O)CC(C)(C)CNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001323143085 806828690 /nfs/dbraw/zinc/82/86/90/806828690.db2.gz GMXGSTZBLDKDCT-MNOVXSKESA-N -1 0 302.371 -0.016 20 0 DBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)[N-]OCC(C)C ZINC001323271353 806847925 /nfs/dbraw/zinc/84/79/25/806847925.db2.gz WDXLJZZZRMJNHL-NWDGAFQWSA-N -1 0 318.370 -0.373 20 0 DBADRM C[C@@H](CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1)Cn1cccn1 ZINC001323332058 806857708 /nfs/dbraw/zinc/85/77/08/806857708.db2.gz LSVDGQPSGFJNGK-NWDGAFQWSA-N -1 0 310.354 -0.280 20 0 DBADRM C[C@@H](CNC(=O)C(=O)[N-]OC[C@H]1CCOC1)Cn1cccn1 ZINC001323332059 806858273 /nfs/dbraw/zinc/85/82/73/806858273.db2.gz LSVDGQPSGFJNGK-RYUDHWBXSA-N -1 0 310.354 -0.280 20 0 DBADRM O=C(CCCNC(=O)C(=O)[N-]OC[C@H]1CCOC1)NC1CC1 ZINC001323348261 806861000 /nfs/dbraw/zinc/86/10/00/806861000.db2.gz XSYMQYGYSDRNNM-JTQLQIEISA-N -1 0 313.354 -0.754 20 0 DBADRM O=C(CCCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1)NC1CC1 ZINC001323348263 806861303 /nfs/dbraw/zinc/86/13/03/806861303.db2.gz XSYMQYGYSDRNNM-SNVBAGLBSA-N -1 0 313.354 -0.754 20 0 DBADRM Cc1nncn1CCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001323429017 806872875 /nfs/dbraw/zinc/87/28/75/806872875.db2.gz UOLDKOTWEZVKJC-UHFFFAOYSA-N -1 0 315.293 -0.234 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCc1n[nH]c(=O)[n-]1 ZINC001323425604 806872969 /nfs/dbraw/zinc/87/29/69/806872969.db2.gz WEBMXJRXRPVPPO-UHFFFAOYSA-N -1 0 304.266 -0.559 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001323503521 806881203 /nfs/dbraw/zinc/88/12/03/806881203.db2.gz HTEQVJMHKBRGOI-YIVBRQOJSA-N -1 0 304.290 -0.130 20 0 DBADRM COCCn1[n-]c(C)c(C(=O)N[C@@H](C)c2nncn2C)c1=O ZINC001323577998 806890417 /nfs/dbraw/zinc/89/04/17/806890417.db2.gz OKLAVPPNKRWMIY-VHSXEESVSA-N -1 0 308.342 -0.527 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000879764160 806900816 /nfs/dbraw/zinc/90/08/16/806900816.db2.gz RTYNMKDCYWVUHT-RDDDGLTNSA-N -1 0 307.272 -0.066 20 0 DBADRM CCNC(=O)NC(=O)CN1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879763596 806901308 /nfs/dbraw/zinc/90/13/08/806901308.db2.gz PPLXKIORLRTSRJ-LLVKDONJSA-N -1 0 324.303 -0.025 20 0 DBADRM CCNC(=O)NC(=O)CN1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879763597 806901379 /nfs/dbraw/zinc/90/13/79/806901379.db2.gz PPLXKIORLRTSRJ-NSHDSACASA-N -1 0 324.303 -0.025 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC001323726471 806907792 /nfs/dbraw/zinc/90/77/92/806907792.db2.gz CJOUXVOYMSJDMC-JTQLQIEISA-N -1 0 306.384 -0.226 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1COCCN1CC(F)(F)F ZINC000880389643 806922796 /nfs/dbraw/zinc/92/27/96/806922796.db2.gz JPKMCUVUQXCMHA-SSDOTTSWSA-N -1 0 324.259 -0.416 20 0 DBADRM O=C(c1cnc2nccnc2c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001323864814 806923347 /nfs/dbraw/zinc/92/33/47/806923347.db2.gz XNPMSUOQSZRYFG-SNVBAGLBSA-N -1 0 312.293 -0.248 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1cn(C2CCOCC2)nn1 ZINC001323905058 806926588 /nfs/dbraw/zinc/92/65/88/806926588.db2.gz CSBJJQWUSORMIK-UHFFFAOYSA-N -1 0 321.341 -0.184 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(CN2CCOCC2)o1 ZINC000880541737 806928114 /nfs/dbraw/zinc/92/81/14/806928114.db2.gz KYIHWPJCCJRMII-UHFFFAOYSA-N -1 0 311.338 -0.091 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001323984387 806934489 /nfs/dbraw/zinc/93/44/89/806934489.db2.gz FBPJRSHTBAHXPE-SNVBAGLBSA-N -1 0 306.384 -0.273 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCCN1C(=O)CCC1=O ZINC001324191144 806951063 /nfs/dbraw/zinc/95/10/63/806951063.db2.gz CCJKYWDYDLSBRY-UHFFFAOYSA-N -1 0 313.339 -0.742 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](O)C(F)(F)F ZINC000881912575 806954849 /nfs/dbraw/zinc/95/48/49/806954849.db2.gz GHZIQFBJDBOWKT-WXQGDBPDSA-N -1 0 313.323 -0.682 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)C(=O)[N-]OCC2CC2)cc1C ZINC001324311016 806962630 /nfs/dbraw/zinc/96/26/30/806962630.db2.gz BXJCANTYXKLOSR-UHFFFAOYSA-N -1 0 309.326 -0.666 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C1COC(C)(C)OC1 ZINC000882064562 806964879 /nfs/dbraw/zinc/96/48/79/806964879.db2.gz CXNLWKSHDSCNRM-SFHVURJKSA-N -1 0 315.417 -0.453 20 0 DBADRM CC[C@H](NS(=O)(=O)N=[S@](C)(=O)N(C)C)[C@@H](O)C(F)F ZINC000882229866 806972141 /nfs/dbraw/zinc/97/21/41/806972141.db2.gz KKXVESNTVDFAIB-PTRLQDNCSA-N -1 0 323.387 -0.200 20 0 DBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCOC[C@@H]1CCOC1 ZINC001324420664 806972769 /nfs/dbraw/zinc/97/27/69/806972769.db2.gz SIWSSXGSFRRQQD-NEPJUHHUSA-N -1 0 316.354 -0.760 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC001324750331 807003466 /nfs/dbraw/zinc/00/34/66/807003466.db2.gz FBVXAYUALFHSJV-NSHDSACASA-N -1 0 316.354 -0.272 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1C[C@@H](O)CC2(CCOCC2)C1 ZINC000882862570 807003656 /nfs/dbraw/zinc/00/36/56/807003656.db2.gz ATHYBOJUTDCHDO-JTQLQIEISA-N -1 0 301.368 -0.038 20 0 DBADRM O=C(C=Cc1ccco1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001278042186 803746348 /nfs/dbraw/zinc/74/63/48/803746348.db2.gz YTONOQKALJFQJU-CDAZIORVSA-N -1 0 307.310 -0.617 20 0 DBADRM O=C(C=Cc1ccco1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001278042189 803746621 /nfs/dbraw/zinc/74/66/21/803746621.db2.gz YTONOQKALJFQJU-ZBJFTSOASA-N -1 0 307.310 -0.617 20 0 DBADRM CC(C)CN1CCc2onc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001278114470 803756408 /nfs/dbraw/zinc/75/64/08/803756408.db2.gz VVJHFKWGBRYCTE-UHFFFAOYSA-N -1 0 305.342 -0.114 20 0 DBADRM CC[C@@H](C)CN1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001278125267 803757051 /nfs/dbraw/zinc/75/70/51/803757051.db2.gz YDRRWJSZRMPZRX-MRVPVSSYSA-N -1 0 304.358 -0.031 20 0 DBADRM C[C@@H](C(=O)N[N-]C(=O)c1n[nH]c2c1CCCC2)n1cncn1 ZINC000029781596 803758023 /nfs/dbraw/zinc/75/80/23/803758023.db2.gz INAQIMFNPWJICI-QMMMGPOBSA-N -1 0 303.326 -0.098 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N(CC(=O)[O-])CC2CC2)C1 ZINC000036884841 803758774 /nfs/dbraw/zinc/75/87/74/803758774.db2.gz SKJBSDUYCPOYDB-NSHDSACASA-N -1 0 318.395 -0.019 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000036813430 803759622 /nfs/dbraw/zinc/75/96/22/803759622.db2.gz JUVJKJJODYUSCM-YFKPBYRVSA-N -1 0 307.715 -0.658 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1Cl ZINC000037990929 803760587 /nfs/dbraw/zinc/76/05/87/803760587.db2.gz ITTMMCYSBLPVNU-UHFFFAOYSA-N -1 0 318.746 -0.444 20 0 DBADRM C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037838257 803760661 /nfs/dbraw/zinc/76/06/61/803760661.db2.gz SFGGXVHDBWIYSF-YUMQZZPRSA-N -1 0 315.351 -0.013 20 0 DBADRM C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037838259 803761184 /nfs/dbraw/zinc/76/11/84/803761184.db2.gz SFGGXVHDBWIYSF-JGVFFNPUSA-N -1 0 315.351 -0.013 20 0 DBADRM CCCCN1CCc2c([nH]nc2C(=O)N=c2nn[n-]n2C)C1 ZINC001278218821 803768663 /nfs/dbraw/zinc/76/86/63/803768663.db2.gz WIGFKWKGRRQCPW-UHFFFAOYSA-N -1 0 304.358 -0.234 20 0 DBADRM CCO[N-]C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000049346596 803776609 /nfs/dbraw/zinc/77/66/09/803776609.db2.gz WTRDLVNRLRGGPA-QMMMGPOBSA-N -1 0 303.340 -0.780 20 0 DBADRM COc1cccc(C(=O)N[N-]S(=O)(=O)c2cn[nH]c2)c1O ZINC000057120595 803779684 /nfs/dbraw/zinc/77/96/84/803779684.db2.gz ZFXZVLNUQWKBTR-UHFFFAOYSA-N -1 0 312.307 -0.253 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)[O-] ZINC000090275736 803800663 /nfs/dbraw/zinc/80/06/63/803800663.db2.gz SQQUPHPXWCBNBH-MKCWBWRRSA-N -1 0 302.352 -0.608 20 0 DBADRM Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)[N-]S(C)(=O)=O ZINC000118598713 803808664 /nfs/dbraw/zinc/80/86/64/803808664.db2.gz RLKHZSIJTMLQBU-NSHDSACASA-N -1 0 309.351 -0.159 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)CCS(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC000125661200 803811189 /nfs/dbraw/zinc/81/11/89/803811189.db2.gz YCLZDFJNACSGIJ-IUCAKERBSA-N -1 0 313.397 -0.454 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCC[C@@H](C)C(=O)[O-] ZINC000128890264 803813075 /nfs/dbraw/zinc/81/30/75/803813075.db2.gz XJESRECHIYULOX-ZJUUUORDSA-N -1 0 322.383 -0.041 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cc(C(N)=O)cs2)cn1 ZINC000148015254 803820259 /nfs/dbraw/zinc/82/02/59/803820259.db2.gz PBCJRFHNHTWZGB-UHFFFAOYSA-N -1 0 314.348 -0.301 20 0 DBADRM COC[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000158804727 803822127 /nfs/dbraw/zinc/82/21/27/803822127.db2.gz HWBMMEVCKUOHFN-VIFPVBQESA-N -1 0 317.323 -0.445 20 0 DBADRM CC/C(C)=C\C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001278776913 803823059 /nfs/dbraw/zinc/82/30/59/803823059.db2.gz QAAORRHRZMUSRD-APFBBLRHSA-N -1 0 309.370 -0.080 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCCCC(N)=O ZINC000231520817 803829814 /nfs/dbraw/zinc/82/98/14/803829814.db2.gz JOJSXONJIFVSDP-UHFFFAOYSA-N -1 0 321.380 -0.136 20 0 DBADRM COCC(=O)N1CCC(NS(=O)(=O)c2ncc[n-]2)CC1 ZINC000313186992 803838637 /nfs/dbraw/zinc/83/86/37/803838637.db2.gz WNGVKMSVHNHBKD-UHFFFAOYSA-N -1 0 302.356 -0.675 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000316362585 803839859 /nfs/dbraw/zinc/83/98/59/803839859.db2.gz GOHGEQMSIJJHOT-GHMZBOCLSA-N -1 0 315.347 -0.333 20 0 DBADRM O=C(NCCOCCCO)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000342630754 803842087 /nfs/dbraw/zinc/84/20/87/803842087.db2.gz LMBFXOPQGZSJPL-UHFFFAOYSA-N -1 0 308.294 -0.435 20 0 DBADRM CN1CCN(C(=O)CC[N-]S(=O)(=O)CC(F)(F)F)CC1 ZINC000355584758 803846773 /nfs/dbraw/zinc/84/67/73/803846773.db2.gz OMVUDWYSJSTLDF-UHFFFAOYSA-N -1 0 317.333 -0.368 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)C1CC=CC1 ZINC001278851093 803847693 /nfs/dbraw/zinc/84/76/93/803847693.db2.gz SSGZEXPNGPXKKP-NSHDSACASA-N -1 0 309.370 -0.272 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC2CS(=O)(=O)C2)ccc1F ZINC000379915284 803851877 /nfs/dbraw/zinc/85/18/77/803851877.db2.gz OCGPKQVJGBZNGN-UHFFFAOYSA-N -1 0 323.323 -0.401 20 0 DBADRM COc1n[nH]c(NC(=O)c2c(Br)nnn2C)n1 ZINC000380230797 803852138 /nfs/dbraw/zinc/85/21/38/803852138.db2.gz YCFAKRAGJBXATE-UHFFFAOYSA-N -1 0 302.092 -0.043 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000382551476 803854197 /nfs/dbraw/zinc/85/41/97/803854197.db2.gz GEEAHPCQXSHDAM-LLVKDONJSA-N -1 0 307.324 -0.038 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCC(OC)(C(=O)[O-])CC1 ZINC000385942262 803855798 /nfs/dbraw/zinc/85/57/98/803855798.db2.gz RGJHFFHUXCLDEI-UHFFFAOYSA-N -1 0 323.367 -0.165 20 0 DBADRM O=C([O-])/C=C/CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000385098678 803856070 /nfs/dbraw/zinc/85/60/70/803856070.db2.gz OPBOUPDPWZTERG-OWOJBTEDSA-N -1 0 312.303 -0.063 20 0 DBADRM C[C@@H](O)[C@@H](CO)NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000387477545 803856312 /nfs/dbraw/zinc/85/63/12/803856312.db2.gz VATZKYDPMQDYAL-HZGVNTEJSA-N -1 0 305.308 -0.890 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)c1ccnc(C(=O)[O-])c1 ZINC000390313174 803858760 /nfs/dbraw/zinc/85/87/60/803858760.db2.gz DAKSQVWFMGOSRI-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000389938341 803858960 /nfs/dbraw/zinc/85/89/60/803858960.db2.gz BOSHOGKKCLHOJO-AWEZNQCLSA-N -1 0 315.370 -0.013 20 0 DBADRM N#Cc1ccc(S(=O)(=O)N[C@@H]2CO[N-]C2=O)c(Cl)c1 ZINC000393838891 803860449 /nfs/dbraw/zinc/86/04/49/803860449.db2.gz SQVFBWDXVOJDKB-MRVPVSSYSA-N -1 0 301.711 -0.080 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)NC2CCSCC2)CC1 ZINC000396736415 803862075 /nfs/dbraw/zinc/86/20/75/803862075.db2.gz KAKAJCULEMTVRO-UHFFFAOYSA-N -1 0 301.368 -0.180 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC(=O)N(C)OC ZINC000397529714 803862835 /nfs/dbraw/zinc/86/28/35/803862835.db2.gz ZPKOQXADYFPFIQ-UHFFFAOYSA-N -1 0 323.352 -0.772 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC000396901613 803862856 /nfs/dbraw/zinc/86/28/56/803862856.db2.gz XAJNYNOXVYSFLP-ZYHUDNBSSA-N -1 0 315.347 -0.251 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CNC(=O)C2)ccc1F ZINC000398352263 803863708 /nfs/dbraw/zinc/86/37/08/803863708.db2.gz JVMZBPAXZRQWGL-SSDOTTSWSA-N -1 0 316.310 -0.062 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000399271628 803863973 /nfs/dbraw/zinc/86/39/73/803863973.db2.gz WXBNWDXFROLURR-SECBINFHSA-N -1 0 304.368 -0.266 20 0 DBADRM COC[C@H](C)n1ccc(NC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC000428780025 803868962 /nfs/dbraw/zinc/86/89/62/803868962.db2.gz PBLHZUGGPWPVFH-QMMMGPOBSA-N -1 0 307.310 0.142 20 0 DBADRM CN(C(=O)c1nc(S(C)(=O)=O)n2ccccc12)c1nnn[n-]1 ZINC001279180347 803874387 /nfs/dbraw/zinc/87/43/87/803874387.db2.gz OZMKOMDXHWRHLS-UHFFFAOYSA-N -1 0 321.322 -0.473 20 0 DBADRM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)N(C)C ZINC000625558670 803882652 /nfs/dbraw/zinc/88/26/52/803882652.db2.gz UHUWIEJYTCVREV-QMMMGPOBSA-N -1 0 314.367 -0.340 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000650418671 803898265 /nfs/dbraw/zinc/89/82/65/803898265.db2.gz PTTTXRNNXMDWDI-NOHGZBONSA-N -1 0 319.379 -0.083 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)C1 ZINC000650423819 803898285 /nfs/dbraw/zinc/89/82/85/803898285.db2.gz GTWPFTKXSFSWSN-CABZTGNLSA-N -1 0 322.383 -0.784 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)[C@H]1C(=O)[O-] ZINC000650424151 803898484 /nfs/dbraw/zinc/89/84/84/803898484.db2.gz RDHPBINOYRHSCS-KYXWUPHJSA-N -1 0 322.383 -0.645 20 0 DBADRM COc1ccc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])cn1 ZINC000650418687 803898704 /nfs/dbraw/zinc/89/87/04/803898704.db2.gz QQVHZQQWZGINRY-KCJUWKMLSA-N -1 0 316.335 -0.047 20 0 DBADRM C[C@H]1CCCN1S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000650428753 803898744 /nfs/dbraw/zinc/89/87/44/803898744.db2.gz SKHPQJKWLJBLBU-VHSXEESVSA-N -1 0 314.367 -0.209 20 0 DBADRM COCC1(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2C)CC1 ZINC000650418484 803898877 /nfs/dbraw/zinc/89/88/77/803898877.db2.gz RVRSLKFPCYVBOD-JTQLQIEISA-N -1 0 317.367 -0.047 20 0 DBADRM O=C([O-])[C@@H](Cc1ncccn1)NS(=O)(=O)C[C@H]1CCCO1 ZINC000650428978 803898907 /nfs/dbraw/zinc/89/89/07/803898907.db2.gz YKGAYKOLQGHZCE-NXEZZACHSA-N -1 0 315.351 -0.429 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnnn2C)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC000650423993 803898979 /nfs/dbraw/zinc/89/89/79/803898979.db2.gz LTPAMOUIGAELPU-BKPPORCPSA-N -1 0 304.328 -0.934 20 0 DBADRM CC12CC(C(=O)[O-])(C1)N(S(=O)(=O)CCS(C)(=O)=O)C2 ZINC000688652372 803908019 /nfs/dbraw/zinc/90/80/19/803908019.db2.gz YGDINSYCTNURIC-UHFFFAOYSA-N -1 0 311.381 -0.700 20 0 DBADRM NC(=O)C[C@H]1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000690733090 803908964 /nfs/dbraw/zinc/90/89/64/803908964.db2.gz OVRPFCLPODKBIK-SSDOTTSWSA-N -1 0 301.324 -0.401 20 0 DBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000693037723 803909134 /nfs/dbraw/zinc/90/91/34/803909134.db2.gz JZMRFFVADLTASN-CIUDSAMLSA-N -1 0 307.393 -0.114 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(c2ccc(C(=O)[O-])nn2)C1 ZINC000702996213 803915871 /nfs/dbraw/zinc/91/58/71/803915871.db2.gz SSZNNLBWLQSJGS-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H]1CCN1C ZINC000710123460 803920173 /nfs/dbraw/zinc/92/01/73/803920173.db2.gz PJOFZJOOMLMLIF-ZETCQYMHSA-N -1 0 305.381 -0.088 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC1OCCCO1 ZINC000716412026 803923695 /nfs/dbraw/zinc/92/36/95/803923695.db2.gz GLJZUEFPKIPIRM-UHFFFAOYSA-N -1 0 322.364 -0.029 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1)n1cncn1 ZINC000737560536 803934000 /nfs/dbraw/zinc/93/40/00/803934000.db2.gz RLRKUWNTOHVECA-QWRGUYRKSA-N -1 0 323.353 -0.379 20 0 DBADRM CS(=O)(=O)NCCOC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000738164536 803937091 /nfs/dbraw/zinc/93/70/91/803937091.db2.gz AWSWUQKJCWRHNK-UHFFFAOYSA-N -1 0 317.319 -0.144 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NCc1nc(C2CC2)no1 ZINC000738545220 803938952 /nfs/dbraw/zinc/93/89/52/803938952.db2.gz NBARNBPBEXPTCI-MRVPVSSYSA-N -1 0 316.339 -0.170 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000739203179 803939751 /nfs/dbraw/zinc/93/97/51/803939751.db2.gz FUWHVUPRWANXDM-UHFFFAOYSA-N -1 0 324.380 -0.001 20 0 DBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CCNC(=O)[O-] ZINC000739152435 803940163 /nfs/dbraw/zinc/94/01/63/803940163.db2.gz HUYBAESEERAKMN-QMMMGPOBSA-N -1 0 301.299 -0.946 20 0 DBADRM CCN(CC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000739394389 803941338 /nfs/dbraw/zinc/94/13/38/803941338.db2.gz VDEQBNRYNNPKQO-JTQLQIEISA-N -1 0 309.326 -0.359 20 0 DBADRM COCCN(CC(=O)N1CCCC[C@@H]1CNC(N)=O)C(=O)[O-] ZINC000739815716 803942333 /nfs/dbraw/zinc/94/23/33/803942333.db2.gz HGBXMHCCBMULNW-SNVBAGLBSA-N -1 0 316.358 -0.338 20 0 DBADRM COCCN(CC(=O)N[C@H](C)[C@@H](C)N1CCOCC1)C(=O)[O-] ZINC000739823207 803942413 /nfs/dbraw/zinc/94/24/13/803942413.db2.gz QESBXBNUXZWNKK-VXGBXAGGSA-N -1 0 317.386 -0.162 20 0 DBADRM COCCN(CC(=O)N[C@H]1CCCN(C(=O)OC)C1)C(=O)[O-] ZINC000739817207 803942440 /nfs/dbraw/zinc/94/24/40/803942440.db2.gz CRICMCSKALIWTL-JTQLQIEISA-N -1 0 317.342 -0.040 20 0 DBADRM O=C([O-])NCCCNC(=O)N1CCN(c2cnccn2)CC1 ZINC000740651083 803947135 /nfs/dbraw/zinc/94/71/35/803947135.db2.gz XUYGEVABDKSBLS-UHFFFAOYSA-N -1 0 308.342 -0.034 20 0 DBADRM C[C@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)Cn1ccnc1 ZINC000740727318 803947375 /nfs/dbraw/zinc/94/73/75/803947375.db2.gz LOQXLSZETCTRNW-SNVBAGLBSA-N -1 0 315.337 -0.280 20 0 DBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)COC)C(C)C ZINC000741443293 803959168 /nfs/dbraw/zinc/95/91/68/803959168.db2.gz RDIAHFRVGNBMLK-KOLCDFICSA-N -1 0 324.399 -0.746 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)[C@H]2CCNC2=O)c1[O-] ZINC001280456589 803960386 /nfs/dbraw/zinc/96/03/86/803960386.db2.gz CGHDCFWNYIUXDT-CBAPKCEASA-N -1 0 323.353 -0.863 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)[C@@H]2CCNC2=O)c1[O-] ZINC001280456590 803960983 /nfs/dbraw/zinc/96/09/83/803960983.db2.gz CGHDCFWNYIUXDT-IONNQARKSA-N -1 0 323.353 -0.863 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1nccs1 ZINC001035555871 814980249 /nfs/dbraw/zinc/98/02/49/814980249.db2.gz MNGGHOIQHSRZTH-QMMMGPOBSA-N -1 0 324.366 -0.402 20 0 DBADRM CO[C@@H](CNS(=O)(=O)CCS(C)(=O)=O)C(F)(F)F ZINC000742296624 803967793 /nfs/dbraw/zinc/96/77/93/803967793.db2.gz HLJRNMGDJMYNCW-LURJTMIESA-N -1 0 313.319 -0.472 20 0 DBADRM Cc1ccc2c(O)c(C(=O)[N-]N3CC(=O)NC3=O)cnc2n1 ZINC000743289765 803978722 /nfs/dbraw/zinc/97/87/22/803978722.db2.gz CEEHECJKOLZUHI-UHFFFAOYSA-N -1 0 301.262 -0.160 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000743634562 803983092 /nfs/dbraw/zinc/98/30/92/803983092.db2.gz YDTFBOSCRRLFTH-UHFFFAOYSA-N -1 0 318.308 -0.128 20 0 DBADRM NC(=O)Cn1cc(C(=O)[N-]S(=O)(=O)C2CCCCC2)nn1 ZINC000744081086 803986297 /nfs/dbraw/zinc/98/62/97/803986297.db2.gz UQWVLSGJLSJXKR-UHFFFAOYSA-N -1 0 315.355 -0.844 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N1CCCC1=O ZINC000744240985 803988558 /nfs/dbraw/zinc/98/85/58/803988558.db2.gz YJPNJUQZRSRNSA-NSHDSACASA-N -1 0 305.400 -0.054 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[nH]c1=O ZINC000744238366 803988793 /nfs/dbraw/zinc/98/87/93/803988793.db2.gz FCDDEVGMBFVOQM-UHFFFAOYSA-N -1 0 302.356 -0.346 20 0 DBADRM CCCOC(=O)[C@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000744988869 803998105 /nfs/dbraw/zinc/99/81/05/803998105.db2.gz YZJNUHXYMWSPET-QMMMGPOBSA-N -1 0 308.294 -0.044 20 0 DBADRM CO[N-]C(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000746114305 804010137 /nfs/dbraw/zinc/01/01/37/804010137.db2.gz ZZBQRQKOSOCEKQ-JTQLQIEISA-N -1 0 305.290 -0.406 20 0 DBADRM COC(=O)c1c(F)ccc(S(=O)(=O)N[C@H](C)C(N)=O)c1F ZINC000746401768 804015829 /nfs/dbraw/zinc/01/58/29/804015829.db2.gz LSGINHHVYCDWIL-RXMQYKEDSA-N -1 0 322.289 -0.097 20 0 DBADRM O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)Cc1ccon1 ZINC000747183459 804025286 /nfs/dbraw/zinc/02/52/86/804025286.db2.gz FNOQKDHFNLBUEE-SNVBAGLBSA-N -1 0 304.324 -0.184 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000747473549 804028927 /nfs/dbraw/zinc/02/89/27/804028927.db2.gz HFFABFJJPIQYPZ-SCZZXKLOSA-N -1 0 324.366 -0.657 20 0 DBADRM CN1C[C@@H](C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)CC1=O ZINC000747474546 804029498 /nfs/dbraw/zinc/02/94/98/804029498.db2.gz WACCKELVAWKUCY-JQWIXIFHSA-N -1 0 300.322 -0.116 20 0 DBADRM NC(=O)CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000747585398 804030261 /nfs/dbraw/zinc/03/02/61/804030261.db2.gz SEAIMDGKJANLBV-UHFFFAOYSA-N -1 0 306.347 -0.323 20 0 DBADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)N2CCOCC2)cn1 ZINC000747752466 804031670 /nfs/dbraw/zinc/03/16/70/804031670.db2.gz VROPTNWYWZFSOA-NSCUHMNNSA-N -1 0 300.340 -0.874 20 0 DBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747752408 804031701 /nfs/dbraw/zinc/03/17/01/804031701.db2.gz SHJLAGCNRGNQET-SNVBAGLBSA-N -1 0 310.372 -0.879 20 0 DBADRM CCc1noc(C)c1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747747761 804031733 /nfs/dbraw/zinc/03/17/33/804031733.db2.gz VHLWMYFRPFDVGQ-UHFFFAOYSA-N -1 0 303.340 -0.148 20 0 DBADRM O=C(COC(=O)c1cc(F)c([O-])c(F)c1)N1CCNC(=O)C1 ZINC000748480532 804039554 /nfs/dbraw/zinc/03/95/54/804039554.db2.gz CDLJBFJPNILIBY-UHFFFAOYSA-N -1 0 314.244 -0.214 20 0 DBADRM CC[C@](C)(CC(=O)OC)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000748589807 804041580 /nfs/dbraw/zinc/04/15/80/804041580.db2.gz GEMQVBSCNVJVLY-CQSZACIVSA-N -1 0 321.337 -0.081 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(=O)[N-]O[C@H]2CCCCO2)cn1 ZINC000749618403 804051962 /nfs/dbraw/zinc/05/19/62/804051962.db2.gz HVTPUAIUIOAXKB-NSHDSACASA-N -1 0 318.355 -0.727 20 0 DBADRM C[C@@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)c1cnn(C)c1 ZINC000750724065 804064198 /nfs/dbraw/zinc/06/41/98/804064198.db2.gz GCQSYJSYBCOKIG-SECBINFHSA-N -1 0 302.356 -0.783 20 0 DBADRM Cn1nc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc1C1CC1 ZINC000750732565 804064522 /nfs/dbraw/zinc/06/45/22/804064522.db2.gz WJDRLFXKCGNTNM-UHFFFAOYSA-N -1 0 314.367 -0.396 20 0 DBADRM CC(C)c1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)n(C)n1 ZINC000750725026 804064532 /nfs/dbraw/zinc/06/45/32/804064532.db2.gz KPBMTKFNZKLGOL-UHFFFAOYSA-N -1 0 316.383 -0.150 20 0 DBADRM COc1ccccc1CC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750726186 804064564 /nfs/dbraw/zinc/06/45/64/804064564.db2.gz QCWJNNKIWUGFBC-UHFFFAOYSA-N -1 0 314.363 -0.069 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1noc2c1CCCC2 ZINC000750730509 804064585 /nfs/dbraw/zinc/06/45/85/804064585.db2.gz MCEAKSYLEMLIBX-UHFFFAOYSA-N -1 0 315.351 -0.140 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H](C)c1cnn(C)c1 ZINC000750709385 804064745 /nfs/dbraw/zinc/06/47/45/804064745.db2.gz WPICPDWGSAUHFO-SECBINFHSA-N -1 0 317.367 -0.077 20 0 DBADRM CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750730431 804064978 /nfs/dbraw/zinc/06/49/78/804064978.db2.gz XYTPVYYJRSQCIL-UHFFFAOYSA-N -1 0 302.356 -0.482 20 0 DBADRM COCCN(CCC(=O)OC)C(=O)c1cnc([O-])n(C)c1=O ZINC000751582578 804078124 /nfs/dbraw/zinc/07/81/24/804078124.db2.gz HZKZRRCDSHDFSI-UHFFFAOYSA-N -1 0 313.310 -0.862 20 0 DBADRM COC(=O)C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC000753758532 804107840 /nfs/dbraw/zinc/10/78/40/804107840.db2.gz SJHCHRWZERONTN-SNVBAGLBSA-N -1 0 319.321 -0.471 20 0 DBADRM CCC(CC)(CO)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000753735853 804107971 /nfs/dbraw/zinc/10/79/71/804107971.db2.gz OTBOUFIILKZHMM-UHFFFAOYSA-N -1 0 307.354 -0.014 20 0 DBADRM CC(=O)Nc1ccc(F)c(C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000753949246 804114530 /nfs/dbraw/zinc/11/45/30/804114530.db2.gz BEXHWAXLFRRTFC-UHFFFAOYSA-N -1 0 317.298 -0.671 20 0 DBADRM COC(=O)CCN(Cc1ccncc1)C(=O)c1cc(=O)[nH][n-]1 ZINC000754029043 804115336 /nfs/dbraw/zinc/11/53/36/804115336.db2.gz FCQFPLMMASEQTC-UHFFFAOYSA-N -1 0 304.306 -0.151 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000754743539 804126480 /nfs/dbraw/zinc/12/64/80/804126480.db2.gz MJWAODBEWBDRBO-JTQLQIEISA-N -1 0 324.424 -0.201 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)[N-]S(=O)(=O)CC1CCC1 ZINC000755116915 804133192 /nfs/dbraw/zinc/13/31/92/804133192.db2.gz AZHHSZRANWYHAQ-UHFFFAOYSA-N -1 0 318.395 -0.129 20 0 DBADRM O=C(CCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1)NC1CCCC1 ZINC000755880357 804143184 /nfs/dbraw/zinc/14/31/84/804143184.db2.gz BPPZQOUJRLMKBK-LLVKDONJSA-N -1 0 322.369 -0.061 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000756242401 804147574 /nfs/dbraw/zinc/14/75/74/804147574.db2.gz FMYPADSNWJXZOM-UHFFFAOYSA-N -1 0 300.340 -0.806 20 0 DBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)c2cc(C(N)=O)cn2C)c1 ZINC000756287006 804147805 /nfs/dbraw/zinc/14/78/05/804147805.db2.gz JLWYZPBZFIAHRY-UHFFFAOYSA-N -1 0 322.346 -0.054 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1Cl ZINC000757324248 804161510 /nfs/dbraw/zinc/16/15/10/804161510.db2.gz OAKAHBQJCWTSDA-UHFFFAOYSA-N -1 0 324.790 -0.065 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C2CC2)n[nH]1 ZINC000757336186 804163026 /nfs/dbraw/zinc/16/30/26/804163026.db2.gz RJSCONBXYAFIDL-UHFFFAOYSA-N -1 0 302.356 -0.160 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)/C=C\c1cnn(C)c1 ZINC000757333780 804163501 /nfs/dbraw/zinc/16/35/01/804163501.db2.gz DNYLFXVUTCVMPV-PLNGDYQASA-N -1 0 302.356 -0.628 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)/C=C/C1CCOCC1 ZINC000757336797 804163509 /nfs/dbraw/zinc/16/35/09/804163509.db2.gz VXFDGUOYINOAOW-ONEGZZNKSA-N -1 0 306.384 -0.092 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CC[C@]2(C1)COCCO2 ZINC001465117098 804169803 /nfs/dbraw/zinc/16/98/03/804169803.db2.gz WGYOAGRWTLFVDL-SCVCMEIPSA-N -1 0 305.352 -0.329 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000758352236 804181106 /nfs/dbraw/zinc/18/11/06/804181106.db2.gz IXGPWJKVPAQJPF-SNVBAGLBSA-N -1 0 321.399 -0.816 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000758525277 804188983 /nfs/dbraw/zinc/18/89/83/804188983.db2.gz LHSSHZPTWWSTMX-SNVBAGLBSA-N -1 0 317.367 -0.349 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)COc1c(C)nn(C)c1C ZINC000758524393 804189609 /nfs/dbraw/zinc/18/96/09/804189609.db2.gz FLNMAPBODNMMLG-MRVPVSSYSA-N -1 0 319.383 -0.103 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)COc1c(C)nn(C)c1C ZINC000758532782 804189732 /nfs/dbraw/zinc/18/97/32/804189732.db2.gz FODGKVKODCHWAP-UHFFFAOYSA-N -1 0 304.372 -0.272 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758576622 804190408 /nfs/dbraw/zinc/19/04/08/804190408.db2.gz FWRNKGAHJNAWSB-UHFFFAOYSA-N -1 0 314.367 -0.166 20 0 DBADRM Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758569473 804190532 /nfs/dbraw/zinc/19/05/32/804190532.db2.gz SAXDJNMCEMZJTL-UHFFFAOYSA-N -1 0 318.318 -0.054 20 0 DBADRM O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)c1cnccn1 ZINC000758581051 804190869 /nfs/dbraw/zinc/19/08/69/804190869.db2.gz ZSHLJFCEVAUZEP-SECBINFHSA-N -1 0 301.324 -0.523 20 0 DBADRM CNC(=O)NC(=O)COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000759128443 804198897 /nfs/dbraw/zinc/19/88/97/804198897.db2.gz GYLCPOLLIOFRBQ-UHFFFAOYSA-N -1 0 313.232 -0.558 20 0 DBADRM CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000759096265 804199396 /nfs/dbraw/zinc/19/93/96/804199396.db2.gz ZLHNHVSAVDRFLF-SECBINFHSA-N -1 0 316.383 -0.817 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(=O)[N-]OCC(F)F)cn1C ZINC000759331572 804201254 /nfs/dbraw/zinc/20/12/54/804201254.db2.gz RYHAFPKUFTYFGA-UHFFFAOYSA-N -1 0 312.298 -0.680 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[N-]OCC(F)F ZINC000759330227 804201786 /nfs/dbraw/zinc/20/17/86/804201786.db2.gz ALLFRIDYLRJRRX-ZCFIWIBFSA-N -1 0 312.298 -0.600 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000759277135 804201797 /nfs/dbraw/zinc/20/17/97/804201797.db2.gz BFNZUDZJFBOIBT-UHFFFAOYSA-N -1 0 306.384 -0.130 20 0 DBADRM CO[C@H](C)CC(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759521020 804203734 /nfs/dbraw/zinc/20/37/34/804203734.db2.gz QIOSCXTVGMAPEP-RXMQYKEDSA-N -1 0 322.368 -0.274 20 0 DBADRM CCCOCC(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759508688 804203906 /nfs/dbraw/zinc/20/39/06/804203906.db2.gz CGMZDPWRYZKJAU-UHFFFAOYSA-N -1 0 322.368 -0.272 20 0 DBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C)s1 ZINC000759512643 804204303 /nfs/dbraw/zinc/20/43/03/804204303.db2.gz ZANADZHJYUWANP-NJGYIYPDSA-N -1 0 304.353 -0.043 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)c2ccccc2c1=O ZINC000759643761 804206213 /nfs/dbraw/zinc/20/62/13/804206213.db2.gz KZNNDKLWMPYQRD-UHFFFAOYSA-N -1 0 323.330 -0.917 20 0 DBADRM COC(=O)C12CCC(C(=O)[N-]S(=O)(=O)CC(N)=O)(CC1)C2 ZINC000759645027 804206338 /nfs/dbraw/zinc/20/63/38/804206338.db2.gz PBWYMTKKTCPGOK-UHFFFAOYSA-N -1 0 318.351 -0.959 20 0 DBADRM COC(=O)[C@]1(C)CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000759616321 804206696 /nfs/dbraw/zinc/20/66/96/804206696.db2.gz VENZIVNVXLCASU-AWEZNQCLSA-N -1 0 319.321 -0.375 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CCc2nnc[nH]2)cn1 ZINC000759801520 804210396 /nfs/dbraw/zinc/21/03/96/804210396.db2.gz MKTDLPQCKUXTHN-UHFFFAOYSA-N -1 0 311.323 -0.354 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000759840121 804210659 /nfs/dbraw/zinc/21/06/59/804210659.db2.gz CLOOIHUDBIQEGD-QMMMGPOBSA-N -1 0 315.351 -0.190 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCN1CCOCC1 ZINC000760053752 804215219 /nfs/dbraw/zinc/21/52/19/804215219.db2.gz ZZPNWDXDXUNBOX-UHFFFAOYSA-N -1 0 311.304 -0.108 20 0 DBADRM COC(=O)c1coc(C(=O)[N-]S(=O)(=O)c2cnccn2)c1 ZINC000760245399 804222538 /nfs/dbraw/zinc/22/25/38/804222538.db2.gz UREJFWKVDJKTAX-UHFFFAOYSA-N -1 0 311.275 -0.025 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)co1 ZINC000760273615 804223146 /nfs/dbraw/zinc/22/31/46/804223146.db2.gz BXPSTEUHINJPHN-MRVPVSSYSA-N -1 0 302.308 -0.383 20 0 DBADRM COC[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(N)=O ZINC000760890198 804230491 /nfs/dbraw/zinc/23/04/91/804230491.db2.gz QSUBQDFZNZUMKV-JTQLQIEISA-N -1 0 322.296 -0.053 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccc2nncn2c1 ZINC000762139626 804244478 /nfs/dbraw/zinc/24/44/78/804244478.db2.gz NFBKWYPIXDBZMK-SECBINFHSA-N -1 0 310.335 -0.175 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cc1 ZINC000762129370 804244595 /nfs/dbraw/zinc/24/45/95/804244595.db2.gz AZPBGSNUVSTLNA-VIFPVBQESA-N -1 0 312.347 -0.118 20 0 DBADRM NC(=O)c1cccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)c1 ZINC000762135747 804244654 /nfs/dbraw/zinc/24/46/54/804244654.db2.gz YZKYUNFWWHHDHF-VIFPVBQESA-N -1 0 312.347 -0.118 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762139700 804244879 /nfs/dbraw/zinc/24/48/79/804244879.db2.gz NWTBZPDJSYALGO-VIFPVBQESA-N -1 0 306.384 -0.369 20 0 DBADRM COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762129885 804244904 /nfs/dbraw/zinc/24/49/04/804244904.db2.gz QZEZKVQHHNUOPZ-SNVBAGLBSA-N -1 0 322.383 -0.053 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)Nc1cc(-n2cnnn2)ccc1F ZINC000762215029 804246089 /nfs/dbraw/zinc/24/60/89/804246089.db2.gz GNWRYKVWFVWSEB-UHFFFAOYSA-N -1 0 319.260 -0.053 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1cnn2cccnc12 ZINC000762142554 804246171 /nfs/dbraw/zinc/24/61/71/804246171.db2.gz GWULPJGSHGGJOP-VIFPVBQESA-N -1 0 310.335 -0.175 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000763015403 804260351 /nfs/dbraw/zinc/26/03/51/804260351.db2.gz ZKXCTQANXWZJBN-MWLCHTKSSA-N -1 0 306.384 -0.069 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CC[C@@H]1CCCCO1 ZINC000763450021 804267562 /nfs/dbraw/zinc/26/75/62/804267562.db2.gz HKDVWLGUTPDDGU-JTQLQIEISA-N -1 0 306.384 -0.082 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C(F)(F)C1(O)CCC1 ZINC000763448162 804267892 /nfs/dbraw/zinc/26/78/92/804267892.db2.gz BNQWRQQJGKDETC-UHFFFAOYSA-N -1 0 314.310 -0.881 20 0 DBADRM CC(C)c1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n(C)n1 ZINC000763456598 804268415 /nfs/dbraw/zinc/26/84/15/804268415.db2.gz MEGROPMBHOQOKE-UHFFFAOYSA-N -1 0 316.383 -0.261 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCCS1(=O)=O ZINC000764152949 804278915 /nfs/dbraw/zinc/27/89/15/804278915.db2.gz ROEZLYIJBGPLNK-DTWKUNHWSA-N -1 0 313.397 -0.565 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O ZINC000764170257 804279182 /nfs/dbraw/zinc/27/91/82/804279182.db2.gz IGOSBHFAXZAEOM-MRVPVSSYSA-N -1 0 306.340 -0.994 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CN(C)[C@@H]1CCSC1 ZINC000764154618 804279524 /nfs/dbraw/zinc/27/95/24/804279524.db2.gz GFUYPVXOTLQGLU-VHSXEESVSA-N -1 0 310.441 -0.095 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O ZINC000764170261 804279579 /nfs/dbraw/zinc/27/95/79/804279579.db2.gz IGOSBHFAXZAEOM-QMMMGPOBSA-N -1 0 306.340 -0.994 20 0 DBADRM COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000764151481 804279585 /nfs/dbraw/zinc/27/95/85/804279585.db2.gz OCFUPABZMZARSN-QMMMGPOBSA-N -1 0 316.335 -0.037 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000764194416 804280561 /nfs/dbraw/zinc/28/05/61/804280561.db2.gz XUURVDAPJPBOAU-BBBLOLIVSA-N -1 0 306.384 -0.241 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)C1 ZINC000764185615 804280815 /nfs/dbraw/zinc/28/08/15/804280815.db2.gz BJMLDAVJZYWBLR-NXEZZACHSA-N -1 0 306.384 -0.274 20 0 DBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)C1CN(C(C)=O)C1 ZINC000764310833 804281818 /nfs/dbraw/zinc/28/18/18/804281818.db2.gz OJIWDOOTJAGBQG-UHFFFAOYSA-N -1 0 306.384 -0.274 20 0 DBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C ZINC000764316420 804281925 /nfs/dbraw/zinc/28/19/25/804281925.db2.gz NOHYZSQUKWKGRX-VIFPVBQESA-N -1 0 306.384 -0.132 20 0 DBADRM Cc1cc(C)nc(N2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)n1 ZINC000764748130 804288498 /nfs/dbraw/zinc/28/84/98/804288498.db2.gz HQVFFXWLFUSXEV-UHFFFAOYSA-N -1 0 302.338 -0.382 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1 ZINC000765054473 804292850 /nfs/dbraw/zinc/29/28/50/804292850.db2.gz OKFQEYAFGFVVDF-UHFFFAOYSA-N -1 0 318.746 -0.444 20 0 DBADRM CC(C)OC(=O)CCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000765245790 804296906 /nfs/dbraw/zinc/29/69/06/804296906.db2.gz ZBHJIUGMICEVAU-UHFFFAOYSA-N -1 0 321.337 -0.081 20 0 DBADRM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc(=O)[nH][n-]1 ZINC000765404370 804298187 /nfs/dbraw/zinc/29/81/87/804298187.db2.gz SQPZKTLHFOEPRU-SECBINFHSA-N -1 0 313.317 -0.223 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2nnn[n-]2)C1 ZINC000765493355 804302037 /nfs/dbraw/zinc/30/20/37/804302037.db2.gz GZOFXSODNUJIHI-MRVPVSSYSA-N -1 0 312.330 -0.548 20 0 DBADRM COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)c2ccnn2C)c1 ZINC000765656729 804306022 /nfs/dbraw/zinc/30/60/22/804306022.db2.gz UNMRTAMKEUTFHG-UHFFFAOYSA-N -1 0 324.318 -0.280 20 0 DBADRM CCC[C@H]1C(=O)NCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000766010818 804309463 /nfs/dbraw/zinc/30/94/63/804309463.db2.gz CJZUSIGRWZOQDO-JTQLQIEISA-N -1 0 318.337 -0.802 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cccn2c(=O)[nH]nc12 ZINC000766281973 804315059 /nfs/dbraw/zinc/31/50/59/804315059.db2.gz SJYYVUDVLZVLHR-ZETCQYMHSA-N -1 0 314.323 -0.471 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1cccn2c(=O)[nH]nc12 ZINC000766282089 804315309 /nfs/dbraw/zinc/31/53/09/804315309.db2.gz BVKBURLSFVIMKM-UHFFFAOYSA-N -1 0 322.306 -0.713 20 0 DBADRM Cn1cc(/C=C/C(=O)N(CCC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000766912873 804320264 /nfs/dbraw/zinc/32/02/64/804320264.db2.gz CQXMCRWSQYJNLC-ZZXKWVIFSA-N -1 0 321.333 -0.437 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)C2(C(=O)OC)CC2)cn1 ZINC000766873875 804321225 /nfs/dbraw/zinc/32/12/25/804321225.db2.gz SYXCLYJDSAIFKG-UHFFFAOYSA-N -1 0 301.324 -0.339 20 0 DBADRM CCCOc1cccc(CC(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766921544 804321339 /nfs/dbraw/zinc/32/13/39/804321339.db2.gz KXVVNGPSHTXOFR-UHFFFAOYSA-N -1 0 314.363 -0.051 20 0 DBADRM CCC(CC)n1nccc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766916747 804321369 /nfs/dbraw/zinc/32/13/69/804321369.db2.gz PAJMCNFENXCMSX-UHFFFAOYSA-N -1 0 302.356 -0.211 20 0 DBADRM CC[C@H](Oc1ccccc1F)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766919116 804321528 /nfs/dbraw/zinc/32/15/28/804321528.db2.gz AOHGIWUCBCBGJG-VIFPVBQESA-N -1 0 318.326 -0.086 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCSc1ccccn1 ZINC000766918832 804321793 /nfs/dbraw/zinc/32/17/93/804321793.db2.gz ZBJACQAOJLKTCJ-UHFFFAOYSA-N -1 0 303.365 -0.505 20 0 DBADRM Cc1ccc(-c2cc(C(=O)[N-]S(=O)(=O)CC(N)=O)[nH]n2)o1 ZINC000766921532 804321917 /nfs/dbraw/zinc/32/19/17/804321917.db2.gz JFUGNBITDOXNGX-UHFFFAOYSA-N -1 0 312.307 -0.477 20 0 DBADRM CCN(C)[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1 ZINC000766923013 804322215 /nfs/dbraw/zinc/32/22/15/804322215.db2.gz PBAQLWSTASGCFL-LBPRGKRZSA-N -1 0 313.379 -0.389 20 0 DBADRM CCOc1ncc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1Cl ZINC000766922290 804322267 /nfs/dbraw/zinc/32/22/67/804322267.db2.gz KHQXTCOCVHFRIM-UHFFFAOYSA-N -1 0 321.742 -0.321 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000766923928 804322342 /nfs/dbraw/zinc/32/23/42/804322342.db2.gz KOYRKWRGKZHTLL-FZMZJTMJSA-N -1 0 308.359 -0.178 20 0 DBADRM CC(C)Oc1cccc(C(=O)[N-]S(=O)(=O)CC(N)=O)n1 ZINC000766924575 804322441 /nfs/dbraw/zinc/32/24/41/804322441.db2.gz VTFTUZSKBADOKC-UHFFFAOYSA-N -1 0 301.324 -0.586 20 0 DBADRM CN(C)c1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1F ZINC000766924796 804322705 /nfs/dbraw/zinc/32/27/05/804322705.db2.gz WAFOMZBKHDXTFA-UHFFFAOYSA-N -1 0 303.315 -0.563 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C1=Cc2cc(F)ccc2OC1 ZINC000766923892 804322717 /nfs/dbraw/zinc/32/27/17/804322717.db2.gz RXWRKLPXYGCYTE-UHFFFAOYSA-N -1 0 314.294 -0.467 20 0 DBADRM CC(C)[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)CCO1 ZINC000766924331 804322846 /nfs/dbraw/zinc/32/28/46/804322846.db2.gz FAOKTDTUZDWQDP-VHSXEESVSA-N -1 0 306.384 -0.241 20 0 DBADRM CC[C@@H](C)Oc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)ccn1 ZINC000766923080 804322925 /nfs/dbraw/zinc/32/29/25/804322925.db2.gz PMDNQXHWIMMTOJ-MRVPVSSYSA-N -1 0 315.351 -0.196 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCC(=O)c1cccc(F)c1 ZINC000766927891 804323095 /nfs/dbraw/zinc/32/30/95/804323095.db2.gz CNODDUYKJKFKFO-UHFFFAOYSA-N -1 0 316.310 -0.280 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1F ZINC000766925586 804323143 /nfs/dbraw/zinc/32/31/43/804323143.db2.gz JWEYZPLZNQVBLE-UHFFFAOYSA-N -1 0 318.282 -0.843 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCc1ccc(F)cc1F ZINC000766926265 804323337 /nfs/dbraw/zinc/32/33/37/804323337.db2.gz IDOKGCVFDHUARO-UHFFFAOYSA-N -1 0 306.290 -0.171 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CSC[C@@H]1CCCCO1 ZINC000766925127 804323366 /nfs/dbraw/zinc/32/33/66/804323366.db2.gz YDVCQGVMFLVRPU-QMMMGPOBSA-N -1 0 310.397 -0.780 20 0 DBADRM CCC(CC)n1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)n1 ZINC000766928076 804323433 /nfs/dbraw/zinc/32/34/33/804323433.db2.gz QEJJDHSVBOUGKT-UHFFFAOYSA-N -1 0 302.356 -0.211 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)CC(N)=O)cnn1CCC(C)C ZINC000766925455 804323686 /nfs/dbraw/zinc/32/36/86/804323686.db2.gz ZUGQLDJANHIUOH-UHFFFAOYSA-N -1 0 316.383 -0.217 20 0 DBADRM COc1cccc([C@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766928886 804324044 /nfs/dbraw/zinc/32/40/44/804324044.db2.gz VZNVWVCYCUNOFJ-MNOVXSKESA-N -1 0 312.347 -0.270 20 0 DBADRM COc1ccccc1CCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766929001 804324480 /nfs/dbraw/zinc/32/44/80/804324480.db2.gz WMRSVVTYDPQLFD-UHFFFAOYSA-N -1 0 300.336 -0.441 20 0 DBADRM COc1cccc([C@@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766928887 804324490 /nfs/dbraw/zinc/32/44/90/804324490.db2.gz VZNVWVCYCUNOFJ-QWRGUYRKSA-N -1 0 312.347 -0.270 20 0 DBADRM COc1cccc([C@H]2C[C@H]2C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766928885 804324615 /nfs/dbraw/zinc/32/46/15/804324615.db2.gz VZNVWVCYCUNOFJ-GHMZBOCLSA-N -1 0 312.347 -0.270 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)Cn1ccccc1=O ZINC000766965807 804324778 /nfs/dbraw/zinc/32/47/78/804324778.db2.gz BBVCYNURLUCISC-UHFFFAOYSA-N -1 0 302.352 -0.279 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)CCCCOC)CCC1 ZINC000766976302 804325497 /nfs/dbraw/zinc/32/54/97/804325497.db2.gz XICPJTWDGXPQLU-UHFFFAOYSA-N -1 0 306.384 -0.225 20 0 DBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)c1 ZINC000767494514 804331441 /nfs/dbraw/zinc/33/14/41/804331441.db2.gz CSIZHWGYXZSOBN-SECBINFHSA-N -1 0 314.367 -0.205 20 0 DBADRM O=C(C[C@H]1C=CCC1)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001282905965 804334760 /nfs/dbraw/zinc/33/47/60/804334760.db2.gz VAIOTMLPNMKQRY-VIFPVBQESA-N -1 0 309.326 -0.722 20 0 DBADRM CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)CCOCCOC ZINC000768214029 804337661 /nfs/dbraw/zinc/33/76/61/804337661.db2.gz WISNVSGASVYAPP-UHFFFAOYSA-N -1 0 319.383 -0.066 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H](C)OCC1CC1 ZINC000768217616 804337731 /nfs/dbraw/zinc/33/77/31/804337731.db2.gz BLPXDOPGEJGJHD-SNVBAGLBSA-N -1 0 309.384 -0.090 20 0 DBADRM CCc1cc(C(=O)[N-]S(=O)(=O)CCOCCOC)[nH]n1 ZINC000768216580 804337837 /nfs/dbraw/zinc/33/78/37/804337837.db2.gz KNIBEBLHVFZVQC-UHFFFAOYSA-N -1 0 305.356 -0.305 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cc(C)n(C)n1 ZINC000768213405 804338057 /nfs/dbraw/zinc/33/80/57/804338057.db2.gz QUEQUGHWWQMZHQ-UHFFFAOYSA-N -1 0 305.356 -0.549 20 0 DBADRM COCCONC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000768227199 804338844 /nfs/dbraw/zinc/33/88/44/804338844.db2.gz FPHKFDPJXAUWBM-UHFFFAOYSA-N -1 0 318.351 -0.050 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)/C=C/c1cnn(C)c1 ZINC000768232566 804338886 /nfs/dbraw/zinc/33/88/86/804338886.db2.gz WRIGBAZIWAKVMN-ONEGZZNKSA-N -1 0 317.367 -0.458 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccccc1 ZINC000768782768 804342715 /nfs/dbraw/zinc/34/27/15/804342715.db2.gz QPNYVNBQZKKDRM-SNVBAGLBSA-N -1 0 314.363 -0.103 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1ncn(-c2ccccc2)n1 ZINC000768794618 804343562 /nfs/dbraw/zinc/34/35/62/804343562.db2.gz ZJYLMJKZQHZIFJ-UHFFFAOYSA-N -1 0 310.335 -0.027 20 0 DBADRM CS[C@@H](CO)[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000769340382 804348386 /nfs/dbraw/zinc/34/83/86/804348386.db2.gz JCKKICVNUSJGPC-APPZFPTMSA-N -1 0 311.367 -0.700 20 0 DBADRM Cn1[nH]c(C(C)(C)C)cc1=NC(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000769756441 804352261 /nfs/dbraw/zinc/35/22/61/804352261.db2.gz VFIMAVPNIXOKSI-JTQLQIEISA-N -1 0 324.381 -0.137 20 0 DBADRM C[C@](O)(CNC(=O)Cc1cnn(-c2ccccc2)n1)C(=O)[O-] ZINC000769746608 804352347 /nfs/dbraw/zinc/35/23/47/804352347.db2.gz LFXAMMUCESICAQ-AWEZNQCLSA-N -1 0 304.306 -0.238 20 0 DBADRM CO[C@@H](C)C(=O)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001035666328 815011987 /nfs/dbraw/zinc/01/19/87/815011987.db2.gz RVTBZSUFQZCYAF-JTQLQIEISA-N -1 0 309.370 -0.030 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cn2ccccc2n1 ZINC000770362362 804362347 /nfs/dbraw/zinc/36/23/47/804362347.db2.gz YPLZSRKDQDBXGT-UHFFFAOYSA-N -1 0 311.319 -0.043 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)NC(CO)CO)cc2[n-]c1=S ZINC000770435213 804363361 /nfs/dbraw/zinc/36/33/61/804363361.db2.gz XUOPERSKZOCJES-UHFFFAOYSA-N -1 0 309.347 -0.695 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)[C@H]2CCNC(=O)CC2)c1[O-] ZINC001282974053 804364581 /nfs/dbraw/zinc/36/45/81/804364581.db2.gz KICCGZCTHCWWLO-SECBINFHSA-N -1 0 323.353 -0.814 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2cnc(C)nc2C)c1[O-] ZINC001282973997 804364849 /nfs/dbraw/zinc/36/48/49/804364849.db2.gz JOYCRMMZJPRAGP-UHFFFAOYSA-N -1 0 318.337 -0.010 20 0 DBADRM COc1nc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)cc(=O)[n-]1 ZINC000770511392 804365624 /nfs/dbraw/zinc/36/56/24/804365624.db2.gz NJYMTEMMIZRPAY-QMMMGPOBSA-N -1 0 312.282 -0.433 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC000770612627 804367203 /nfs/dbraw/zinc/36/72/03/804367203.db2.gz CGBOOIXFUOCUBQ-NSHDSACASA-N -1 0 305.400 -0.052 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)[N-]O[C@H]1CCCCO1 ZINC000770660133 804367844 /nfs/dbraw/zinc/36/78/44/804367844.db2.gz YTPWFYJJDRAXCS-NSHDSACASA-N -1 0 310.372 -0.483 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1 ZINC000771523953 804376713 /nfs/dbraw/zinc/37/67/13/804376713.db2.gz KFJVMVXFGGALON-SFYZADRCSA-N -1 0 303.340 -0.323 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC000772995145 804395422 /nfs/dbraw/zinc/39/54/22/804395422.db2.gz DQPCJTFNIPKGLR-SNVBAGLBSA-N -1 0 305.400 -0.052 20 0 DBADRM CC(=O)[C@@H]1CC(C(=O)[N-]OCC(N)=O)=NN1c1ccccc1 ZINC000772948511 804395449 /nfs/dbraw/zinc/39/54/49/804395449.db2.gz HCTNVDYAUSLNKD-LBPRGKRZSA-N -1 0 304.306 -0.257 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000773155508 804396484 /nfs/dbraw/zinc/39/64/84/804396484.db2.gz WLKDYJBVVWORSP-MRVPVSSYSA-N -1 0 312.399 -0.022 20 0 DBADRM CN1N=C(C(=O)N2CCSC[C@H]2c2nnn[n-]2)CCC1=O ZINC000773155451 804396516 /nfs/dbraw/zinc/39/65/16/804396516.db2.gz VWBWRLSQWGSADK-QMMMGPOBSA-N -1 0 309.355 -0.576 20 0 DBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c(=O)c1 ZINC000774093722 804413391 /nfs/dbraw/zinc/41/33/91/804413391.db2.gz FNLYLQKIXDQFQJ-JTQLQIEISA-N -1 0 300.336 -0.608 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)N1CCOCC1)[C@H]1CCSC1 ZINC000774105152 804414693 /nfs/dbraw/zinc/41/46/93/804414693.db2.gz LFYSXMVPIYQKEZ-JTQLQIEISA-N -1 0 323.440 -0.883 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCOC[C@H]1C ZINC000774142353 804415491 /nfs/dbraw/zinc/41/54/91/804415491.db2.gz MDQYENKWZUHLSK-GHMZBOCLSA-N -1 0 309.384 -0.232 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CCCCc1c[nH]nn1 ZINC000774211635 804419122 /nfs/dbraw/zinc/41/91/22/804419122.db2.gz VCQDRKXCMIHJTM-UHFFFAOYSA-N -1 0 312.355 -0.244 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1)[C@H]1CCSC1 ZINC000774258967 804419269 /nfs/dbraw/zinc/41/92/69/804419269.db2.gz VFYIPVFVXUYXKC-MNOVXSKESA-N -1 0 322.452 -0.094 20 0 DBADRM Cn1nccc1CCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000774295555 804420088 /nfs/dbraw/zinc/42/00/88/804420088.db2.gz FDGVRTDLOFJAAP-NSHDSACASA-N -1 0 301.368 -0.022 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)C1CCC1 ZINC000774285355 804420115 /nfs/dbraw/zinc/42/01/15/804420115.db2.gz ZSNGNHTUPIJZPE-VIFPVBQESA-N -1 0 310.397 -0.591 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1)[C@@H]1CCSC1 ZINC000774258974 804420751 /nfs/dbraw/zinc/42/07/51/804420751.db2.gz VFYIPVFVXUYXKC-WDEREUQCSA-N -1 0 322.452 -0.094 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001283126686 804423387 /nfs/dbraw/zinc/42/33/87/804423387.db2.gz KAVNSSMFITXXAK-HTQZYQBOSA-N -1 0 309.326 -0.435 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCCN1CCOCC1 ZINC000774493590 804424282 /nfs/dbraw/zinc/42/42/82/804424282.db2.gz YYIXMNILFLFOFM-UHFFFAOYSA-N -1 0 305.400 -0.764 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001283134639 804426677 /nfs/dbraw/zinc/42/66/77/804426677.db2.gz FONJAKCLFFIAHC-XPTSAGLGSA-N -1 0 323.353 -0.498 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000774858140 804432077 /nfs/dbraw/zinc/43/20/77/804432077.db2.gz HROCCMXXWAVXTL-UHFFFAOYSA-N -1 0 319.427 -0.376 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCc1n[nH]c(=O)[n-]1 ZINC000774888430 804432978 /nfs/dbraw/zinc/43/29/78/804432978.db2.gz XDQNHXDPLVDXCW-HTQZYQBOSA-N -1 0 308.294 -0.271 20 0 DBADRM COc1cccc(C(=O)NCC(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000774901428 804433095 /nfs/dbraw/zinc/43/30/95/804433095.db2.gz JPCKBNCCOGOSGU-UHFFFAOYSA-N -1 0 306.278 -0.008 20 0 DBADRM Cc1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1S(N)(=O)=O ZINC000774895901 804433263 /nfs/dbraw/zinc/43/32/63/804433263.db2.gz LAMHPSHOJPSIJB-UHFFFAOYSA-N -1 0 312.307 -0.177 20 0 DBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)OCc1n[nH]c(=O)[n-]1 ZINC000774919918 804434312 /nfs/dbraw/zinc/43/43/12/804434312.db2.gz UJZKOZBHQKPPED-UHFFFAOYSA-N -1 0 317.261 -0.331 20 0 DBADRM O=C(CNS(=O)(=O)c1cccs1)OCc1n[nH]c(=O)[n-]1 ZINC000774919884 804434332 /nfs/dbraw/zinc/43/43/32/804434332.db2.gz UBCGAJCJYZHZEM-UHFFFAOYSA-N -1 0 318.336 -0.407 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)OCc1n[nH]c(=O)[n-]1)n1cccn1 ZINC000774934742 804434341 /nfs/dbraw/zinc/43/43/41/804434341.db2.gz WHYQSOSIHJDPMV-QMMMGPOBSA-N -1 0 308.298 -0.530 20 0 DBADRM NS(=O)(=O)c1ccc(O)c(C(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000774936494 804434394 /nfs/dbraw/zinc/43/43/94/804434394.db2.gz WYYYJQZAENFICW-UHFFFAOYSA-N -1 0 314.279 -0.780 20 0 DBADRM C[C@H](C(=O)OCc1n[nH]c(=O)[n-]1)N1C(=O)NC2(CCCC2)C1=O ZINC000774941112 804434540 /nfs/dbraw/zinc/43/45/40/804434540.db2.gz OBXHRRASXBXIJC-SSDOTTSWSA-N -1 0 323.309 -0.193 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)OCc2n[nH]c(=O)[n-]2)co1 ZINC000774987119 804436101 /nfs/dbraw/zinc/43/61/01/804436101.db2.gz YSSNYKXVJQYATB-UHFFFAOYSA-N -1 0 302.268 -0.632 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)N1C[C@H](O)C[C@H]1CO ZINC000775391902 804440935 /nfs/dbraw/zinc/44/09/35/804440935.db2.gz PQHOCRKEZTYEKK-NTSWFWBYSA-N -1 0 307.422 -0.127 20 0 DBADRM CCC(CC)C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001283186590 804443939 /nfs/dbraw/zinc/44/39/39/804443939.db2.gz OHNYCZKLXXDWDO-UHFFFAOYSA-N -1 0 311.342 -0.045 20 0 DBADRM COc1ncc(C=CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)cn1 ZINC000775845226 804447019 /nfs/dbraw/zinc/44/70/19/804447019.db2.gz NYQCHOODQOUMMC-PBKGFPTLSA-N -1 0 317.309 -0.388 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)C1=O ZINC000776123614 804449219 /nfs/dbraw/zinc/44/92/19/804449219.db2.gz VUVMPFHJMUPRFN-QWRGUYRKSA-N -1 0 300.322 -0.116 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2ncn(-c3ccccc3)n2)C1=O ZINC000776245490 804452891 /nfs/dbraw/zinc/45/28/91/804452891.db2.gz OCLSYIBRZBWURI-UHFFFAOYSA-N -1 0 300.278 -0.194 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000776350441 804454146 /nfs/dbraw/zinc/45/41/46/804454146.db2.gz RMPZBPWCWFEFQA-UHFFFAOYSA-N -1 0 322.412 -0.068 20 0 DBADRM COc1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cnc1Cl ZINC000776445456 804455992 /nfs/dbraw/zinc/45/59/92/804455992.db2.gz WVZGWQKWRFOAHB-LURJTMIESA-N -1 0 310.715 -0.533 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@H]1CCOC1)C1CCOCC1 ZINC000776523362 804456603 /nfs/dbraw/zinc/45/66/03/804456603.db2.gz CHCFQZWMUQGBEH-GXSJLCMTSA-N -1 0 307.368 -0.178 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000776502589 804456745 /nfs/dbraw/zinc/45/67/45/804456745.db2.gz HRIOJBFYWNQUKC-HTRCEHHLSA-N -1 0 323.758 -0.159 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1cccc2c1COC2=O ZINC000776511850 804456987 /nfs/dbraw/zinc/45/69/87/804456987.db2.gz FGCPJPQYVRDMBO-MRVPVSSYSA-N -1 0 301.276 -0.919 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000776524809 804457104 /nfs/dbraw/zinc/45/71/04/804457104.db2.gz JGUGNAZGSKUXKH-JTQLQIEISA-N -1 0 310.372 -0.721 20 0 DBADRM COc1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cnc1Cl ZINC000776540115 804458543 /nfs/dbraw/zinc/45/85/43/804458543.db2.gz NJKAIDMMTGZWIE-LURJTMIESA-N -1 0 310.715 -0.533 20 0 DBADRM CC(C)N(C)S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000776636663 804460459 /nfs/dbraw/zinc/46/04/59/804460459.db2.gz UZXSUCZJVQPDRX-VIFPVBQESA-N -1 0 307.372 -0.906 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000776611999 804460699 /nfs/dbraw/zinc/46/06/99/804460699.db2.gz CBGRWQBWJWMPGV-VHSXEESVSA-N -1 0 304.368 -0.039 20 0 DBADRM CC(C)(CCCNS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000776624646 804460744 /nfs/dbraw/zinc/46/07/44/804460744.db2.gz UEKIOWXTSRUREQ-UHFFFAOYSA-N -1 0 315.413 -0.159 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-] ZINC000776626552 804460751 /nfs/dbraw/zinc/46/07/51/804460751.db2.gz NRRSKLJOZKGEQY-SECBINFHSA-N -1 0 315.303 -0.265 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC000776623819 804460806 /nfs/dbraw/zinc/46/08/06/804460806.db2.gz AOUJXBGWVBUGTH-MRVPVSSYSA-N -1 0 303.340 -0.403 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC000776600447 804460884 /nfs/dbraw/zinc/46/08/84/804460884.db2.gz IDENSSGBTHCGHT-LLVKDONJSA-N -1 0 324.399 -0.331 20 0 DBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)CC1CCOCC1 ZINC000776685196 804461487 /nfs/dbraw/zinc/46/14/87/804461487.db2.gz MNRYTWHCAQZLBX-JTQLQIEISA-N -1 0 309.384 -0.100 20 0 DBADRM C[C@H](CN(C)S(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776686333 804461657 /nfs/dbraw/zinc/46/16/57/804461657.db2.gz HDWDXCUWAPBZLN-SNVBAGLBSA-N -1 0 322.383 -0.277 20 0 DBADRM O=C([O-])C1CN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000776658574 804461921 /nfs/dbraw/zinc/46/19/21/804461921.db2.gz SZNYBOROZIRTJW-UHFFFAOYSA-N -1 0 306.340 -0.914 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnc(C)nc1C ZINC000777330927 804469631 /nfs/dbraw/zinc/46/96/31/804469631.db2.gz NKDUETFEESRNGE-UHFFFAOYSA-N -1 0 302.356 -0.354 20 0 DBADRM CCS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000777533445 804472411 /nfs/dbraw/zinc/47/24/11/804472411.db2.gz KUTINDRHRQERBJ-UHFFFAOYSA-N -1 0 309.347 -0.028 20 0 DBADRM NC(=O)Cn1cc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)cn1 ZINC000777608233 804473740 /nfs/dbraw/zinc/47/37/40/804473740.db2.gz PPGGCOUVEXZJKP-UHFFFAOYSA-N -1 0 324.366 -0.224 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-] ZINC000777908409 804477281 /nfs/dbraw/zinc/47/72/81/804477281.db2.gz KVCBHASTICVEAX-XCBNKYQSSA-N -1 0 303.340 -0.595 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000777949743 804477732 /nfs/dbraw/zinc/47/77/32/804477732.db2.gz JFCSVNYZTFKLJA-OIBJUYFYSA-N -1 0 315.351 -0.013 20 0 DBADRM CC(C)[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCO1 ZINC000778485623 804484169 /nfs/dbraw/zinc/48/41/69/804484169.db2.gz GVRNESSAAPFASU-NSHDSACASA-N -1 0 305.338 -0.045 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)cc1 ZINC000778598012 804485491 /nfs/dbraw/zinc/48/54/91/804485491.db2.gz JOBVTIQCWVVKQJ-UHFFFAOYSA-N -1 0 314.363 -0.168 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cn1 ZINC000778597956 804485513 /nfs/dbraw/zinc/48/55/13/804485513.db2.gz GWICKYSZKTVRME-UHFFFAOYSA-N -1 0 311.323 -0.273 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cn1 ZINC000778643764 804486669 /nfs/dbraw/zinc/48/66/69/804486669.db2.gz KHFFQCROEZSSDE-QMMMGPOBSA-N -1 0 301.324 -0.276 20 0 DBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000778695020 804487809 /nfs/dbraw/zinc/48/78/09/804487809.db2.gz QCBRNNKUAWWBCB-UHFFFAOYSA-N -1 0 319.770 -0.128 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)C[C@@H](C)OC)c(C)nn1C ZINC000778848178 804490137 /nfs/dbraw/zinc/49/01/37/804490137.db2.gz KLOQVBHGBDYXDB-SSDOTTSWSA-N -1 0 305.356 -0.033 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000778963888 804493145 /nfs/dbraw/zinc/49/31/45/804493145.db2.gz JWLWMUXSLXSGFL-UHFFFAOYSA-N -1 0 317.265 -0.780 20 0 DBADRM O=C(C=Cc1cncc(O)c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000779664274 804505213 /nfs/dbraw/zinc/50/52/13/804505213.db2.gz WZWJZJUCCGQGFA-RFMOXSJOSA-N -1 0 302.294 -0.086 20 0 DBADRM O=C(C=Cc1cncc(O)c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000779664273 804505528 /nfs/dbraw/zinc/50/55/28/804505528.db2.gz WZWJZJUCCGQGFA-BVBSBALXSA-N -1 0 302.294 -0.086 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cnc(C(=O)OC)cn1 ZINC000780361854 804513693 /nfs/dbraw/zinc/51/36/93/804513693.db2.gz LPICVBGCNRARCI-UHFFFAOYSA-N -1 0 317.323 -0.641 20 0 DBADRM Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCc1nc(=O)o[n-]1 ZINC001324988602 807022665 /nfs/dbraw/zinc/02/26/65/807022665.db2.gz QSLMUGIXJZSLNZ-UHFFFAOYSA-N -1 0 317.309 -0.171 20 0 DBADRM CCOCCO[C@H](C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000780314525 804514081 /nfs/dbraw/zinc/51/40/81/804514081.db2.gz TXJSZWCDYNMFQG-SECBINFHSA-N -1 0 312.326 -0.199 20 0 DBADRM CC(C)(NC(=O)NCc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000780393058 804515185 /nfs/dbraw/zinc/51/51/85/804515185.db2.gz QJYZWTYZTRPNFW-UHFFFAOYSA-N -1 0 315.351 -0.004 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)NCCOC[C@H]1CCOC1 ZINC000780567226 804515918 /nfs/dbraw/zinc/51/59/18/804515918.db2.gz BYDIKQJHPWVGAX-QWRGUYRKSA-N -1 0 302.327 -0.466 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000780528870 804516635 /nfs/dbraw/zinc/51/66/35/804516635.db2.gz KTWDACFUDGTPTF-JTQLQIEISA-N -1 0 311.342 -0.356 20 0 DBADRM CN(C)c1ncc(CNC(=O)N2CCOC[C@@H]2C(=O)[O-])n1C ZINC000780570842 804517208 /nfs/dbraw/zinc/51/72/08/804517208.db2.gz OSLHJULXSNVPPE-SNVBAGLBSA-N -1 0 311.342 -0.519 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)C1 ZINC000780606757 804517291 /nfs/dbraw/zinc/51/72/91/804517291.db2.gz HYHSFVRSZVHUMF-YPMHNXCESA-N -1 0 318.395 -0.130 20 0 DBADRM O=C(Cn1ccccc1=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780611637 804517329 /nfs/dbraw/zinc/51/73/29/804517329.db2.gz FVTGIXLHENLYEJ-JTQLQIEISA-N -1 0 300.336 -0.527 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)C1 ZINC000780606754 804517506 /nfs/dbraw/zinc/51/75/06/804517506.db2.gz HYHSFVRSZVHUMF-AAEUAGOBSA-N -1 0 318.395 -0.130 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1)C(=O)C1CC1 ZINC000780619485 804517652 /nfs/dbraw/zinc/51/76/52/804517652.db2.gz JXBFOHJTZLSXQD-JTQLQIEISA-N -1 0 304.368 -0.520 20 0 DBADRM COc1ncc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cn1 ZINC000780605522 804517699 /nfs/dbraw/zinc/51/76/99/804517699.db2.gz JENPJZKPHMPSPJ-VIFPVBQESA-N -1 0 301.324 -0.276 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780603767 804517730 /nfs/dbraw/zinc/51/77/30/804517730.db2.gz GNYKSEXIZANQKF-VIFPVBQESA-N -1 0 306.384 -0.226 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)CC1 ZINC000780621541 804517856 /nfs/dbraw/zinc/51/78/56/804517856.db2.gz VNLVIMHPKBYTRE-SECBINFHSA-N -1 0 305.352 -0.045 20 0 DBADRM CC(C)(NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000780695025 804518425 /nfs/dbraw/zinc/51/84/25/804518425.db2.gz FUPQQUKGAHBICC-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM CC(C)c1nc([C@@H]2COCCN2C(=O)c2cc(=O)[nH][n-]2)no1 ZINC000780749041 804520249 /nfs/dbraw/zinc/52/02/49/804520249.db2.gz ALGMNANWKWJRJW-VIFPVBQESA-N -1 0 307.310 -0.031 20 0 DBADRM CCCCCN(CC(N)=O)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000780782616 804520536 /nfs/dbraw/zinc/52/05/36/804520536.db2.gz RTMWWZJTWNYKFV-UHFFFAOYSA-N -1 0 320.353 -0.425 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)on1 ZINC000781447396 804529039 /nfs/dbraw/zinc/52/90/39/804529039.db2.gz LYDJARUFHHAPPK-UHFFFAOYSA-N -1 0 303.296 -0.468 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781513492 804529767 /nfs/dbraw/zinc/52/97/67/804529767.db2.gz PRDANBGIQMMQFK-VIFPVBQESA-N -1 0 306.384 -0.226 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781503481 804529934 /nfs/dbraw/zinc/52/99/34/804529934.db2.gz KJCQGQIAQCVYQS-SECBINFHSA-N -1 0 318.351 -0.850 20 0 DBADRM O=C(CCn1ccccc1=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781515126 804530845 /nfs/dbraw/zinc/53/08/45/804530845.db2.gz SFQLGPPJUPYPBS-NSHDSACASA-N -1 0 314.363 -0.137 20 0 DBADRM O=C(CCCNC(=O)C1CC1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781515109 804531199 /nfs/dbraw/zinc/53/11/99/804531199.db2.gz RVGBORQJEBOLPH-LLVKDONJSA-N -1 0 318.395 -0.082 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001324897732 807014732 /nfs/dbraw/zinc/01/47/32/807014732.db2.gz CEHVZZWZEZYEJX-NTSWFWBYSA-N -1 0 322.243 -0.521 20 0 DBADRM CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)c2cnnn2C)cn1 ZINC000781736451 804534394 /nfs/dbraw/zinc/53/43/94/804534394.db2.gz XJBPNORYOBBBJY-UHFFFAOYSA-N -1 0 312.355 -0.214 20 0 DBADRM COCc1nc(C(=O)[N-]S(=O)(=O)c2cnnn2C)cs1 ZINC000781736863 804534443 /nfs/dbraw/zinc/53/44/43/804534443.db2.gz COAVPPLRFYWVIC-UHFFFAOYSA-N -1 0 317.352 -0.463 20 0 DBADRM Cn1cc(Cl)cc1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781737632 804534572 /nfs/dbraw/zinc/53/45/72/804534572.db2.gz NNHVSUWPJSGMIX-UHFFFAOYSA-N -1 0 303.731 -0.074 20 0 DBADRM CCc1ncsc1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781738643 804534577 /nfs/dbraw/zinc/53/45/77/804534577.db2.gz WAQNUVITJSZWEK-UHFFFAOYSA-N -1 0 301.353 -0.047 20 0 DBADRM C[C@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)c2cnnn2C)O1 ZINC000781736574 804534617 /nfs/dbraw/zinc/53/46/17/804534617.db2.gz XUAYCLWTSBTDGC-DTWKUNHWSA-N -1 0 302.356 -0.032 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CCC(=O)c1ccccn1 ZINC000781737354 804534644 /nfs/dbraw/zinc/53/46/44/804534644.db2.gz HAUXIFFXRXLOKQ-UHFFFAOYSA-N -1 0 323.334 -0.322 20 0 DBADRM CC(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)c1 ZINC000781731442 804534708 /nfs/dbraw/zinc/53/47/08/804534708.db2.gz FHAAWXHGZBIHLO-UHFFFAOYSA-N -1 0 323.334 -0.108 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc2nccnc2c1 ZINC000781740527 804535950 /nfs/dbraw/zinc/53/59/50/804535950.db2.gz BDCRCRODWRGISI-UHFFFAOYSA-N -1 0 318.318 -0.123 20 0 DBADRM CC[C@](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)(C(N)=O)C(C)C ZINC000781927894 804536564 /nfs/dbraw/zinc/53/65/64/804536564.db2.gz PNHQGKRPRIWOMH-CQSZACIVSA-N -1 0 320.353 -0.523 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cccnc1Cl ZINC000781874583 804536758 /nfs/dbraw/zinc/53/67/58/804536758.db2.gz VVYSKEGJDNBURV-UHFFFAOYSA-N -1 0 321.742 -0.396 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001324897734 807014896 /nfs/dbraw/zinc/01/48/96/807014896.db2.gz CEHVZZWZEZYEJX-RITPCOANSA-N -1 0 322.243 -0.521 20 0 DBADRM CC[C@@](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)(C(N)=O)C(C)C ZINC000781927892 804536809 /nfs/dbraw/zinc/53/68/09/804536809.db2.gz PNHQGKRPRIWOMH-AWEZNQCLSA-N -1 0 320.353 -0.523 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)c(C)n1 ZINC000782589932 804550157 /nfs/dbraw/zinc/55/01/57/804550157.db2.gz UTCVNUHCTCHNGH-UHFFFAOYSA-N -1 0 316.383 -0.092 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)[C@H](C)COC)c(C)n1 ZINC000782605503 804551321 /nfs/dbraw/zinc/55/13/21/804551321.db2.gz HGNVQEDONFITLL-SECBINFHSA-N -1 0 319.383 -0.068 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1cnc2n[nH]nc2c1 ZINC000783126949 804562404 /nfs/dbraw/zinc/56/24/04/804562404.db2.gz ZGYYYAPVDWASGO-MRVPVSSYSA-N -1 0 311.323 -0.409 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000783395188 804565440 /nfs/dbraw/zinc/56/54/40/804565440.db2.gz YBMMFIJAKPWAPN-NSHDSACASA-N -1 0 321.399 -0.770 20 0 DBADRM CC(C)N(C)C(=O)[C@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000783555453 804566936 /nfs/dbraw/zinc/56/69/36/804566936.db2.gz QJCIAVGPCGCCNP-VIFPVBQESA-N -1 0 321.337 -0.130 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]N2CCCNC2=O)co1 ZINC000783601784 804567152 /nfs/dbraw/zinc/56/71/52/804567152.db2.gz VQINHANRLGGMAB-UHFFFAOYSA-N -1 0 316.339 -0.410 20 0 DBADRM Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000783913589 804573005 /nfs/dbraw/zinc/57/30/05/804573005.db2.gz BWZLDSCMEMRYQJ-CYBMUJFWSA-N -1 0 300.318 -0.130 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)n1 ZINC000784486582 804581035 /nfs/dbraw/zinc/58/10/35/804581035.db2.gz OAQQXHYTNWPUNZ-UHFFFAOYSA-N -1 0 313.339 -0.618 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@H]2CO[C@@H](C)C2)c(C)nn1C ZINC000784557612 804583394 /nfs/dbraw/zinc/58/33/94/804583394.db2.gz WSZCLKPZXNSXOD-IONNQARKSA-N -1 0 317.367 -0.033 20 0 DBADRM CCOC(=O)[C@H](C)[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000784717807 804585505 /nfs/dbraw/zinc/58/55/05/804585505.db2.gz RYTWCBBSIIKOQG-RKDXNWHRSA-N -1 0 321.337 -0.225 20 0 DBADRM Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cn1 ZINC000784871993 804589203 /nfs/dbraw/zinc/58/92/03/804589203.db2.gz QYMXUQTWCUAPPX-SNVBAGLBSA-N -1 0 301.368 -0.067 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)CC1CC1 ZINC000784872976 804589349 /nfs/dbraw/zinc/58/93/49/804589349.db2.gz ZLCNVNWDHMHHJJ-UHFFFAOYSA-N -1 0 312.413 -0.486 20 0 DBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000785079815 804591394 /nfs/dbraw/zinc/59/13/94/804591394.db2.gz ZUATXJJDODTXPJ-VHSXEESVSA-N -1 0 306.384 -0.274 20 0 DBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)CCN1CCCS1(=O)=O ZINC000785087065 804591747 /nfs/dbraw/zinc/59/17/47/804591747.db2.gz WAIRHDCUAQJBHC-SECBINFHSA-N -1 0 312.413 -0.344 20 0 DBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O ZINC000785094817 804591963 /nfs/dbraw/zinc/59/19/63/804591963.db2.gz YUMBCTUYSBYAIR-MRVPVSSYSA-N -1 0 305.356 -0.437 20 0 DBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000785079813 804592014 /nfs/dbraw/zinc/59/20/14/804592014.db2.gz ZUATXJJDODTXPJ-NXEZZACHSA-N -1 0 306.384 -0.274 20 0 DBADRM CC1(C)Oc2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc2O1 ZINC000785383240 804597454 /nfs/dbraw/zinc/59/74/54/804597454.db2.gz DUIASDVQCBZTFC-UHFFFAOYSA-N -1 0 309.278 -0.335 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000785386914 804597660 /nfs/dbraw/zinc/59/76/60/804597660.db2.gz WHNMRVDDJOPHMQ-UHFFFAOYSA-N -1 0 321.268 -0.517 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C ZINC000785358348 804597822 /nfs/dbraw/zinc/59/78/22/804597822.db2.gz IMQCXMWKIUEVBA-UHFFFAOYSA-N -1 0 315.351 -0.091 20 0 DBADRM COc1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1Cl ZINC000785387306 804598100 /nfs/dbraw/zinc/59/81/00/804598100.db2.gz CCVPFMZLHPEUPV-UHFFFAOYSA-N -1 0 301.686 -0.180 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000785387796 804598794 /nfs/dbraw/zinc/59/87/94/804598794.db2.gz HJUQBVBOTXBHIL-UHFFFAOYSA-N -1 0 316.111 -0.079 20 0 DBADRM COC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000786272279 804614093 /nfs/dbraw/zinc/61/40/93/804614093.db2.gz ILNPCLQVLCPJRC-UHFFFAOYSA-N -1 0 317.367 -0.256 20 0 DBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC000786945824 804625322 /nfs/dbraw/zinc/62/53/22/804625322.db2.gz NYDSWZHPZVEEMV-UWVGGRQHSA-N -1 0 305.400 -0.021 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000786961645 804626496 /nfs/dbraw/zinc/62/64/96/804626496.db2.gz SKQMMFKDOMPQDI-ZJUUUORDSA-N -1 0 305.400 -0.019 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000787190405 804629020 /nfs/dbraw/zinc/62/90/20/804629020.db2.gz KJEPEWIDIFJODM-UHFFFAOYSA-N -1 0 322.365 -0.008 20 0 DBADRM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)[N-]OCCO)C2=O ZINC000787291938 804632327 /nfs/dbraw/zinc/63/23/27/804632327.db2.gz CZQOQLXNOYVWSA-NXEZZACHSA-N -1 0 313.354 -0.227 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cnn(C)c2)C1=O ZINC000787913162 804645059 /nfs/dbraw/zinc/64/50/59/804645059.db2.gz WLDHGCWYIUUHPI-SNVBAGLBSA-N -1 0 301.328 -0.666 20 0 DBADRM CC(=O)C[C@H](NS(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-] ZINC000787934319 804647389 /nfs/dbraw/zinc/64/73/89/804647389.db2.gz MUAPRFAWNQYTGY-LURJTMIESA-N -1 0 309.731 -0.216 20 0 DBADRM CC(=O)C[C@@H](NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000787933858 804647400 /nfs/dbraw/zinc/64/74/00/804647400.db2.gz DWMSBVLARJEVNS-ZCFIWIBFSA-N -1 0 309.731 -0.216 20 0 DBADRM CC(=O)c1c[nH]c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000788176663 804652947 /nfs/dbraw/zinc/65/29/47/804652947.db2.gz SLABRAAMYNMBHT-UHFFFAOYSA-N -1 0 301.324 -0.587 20 0 DBADRM CNC(=O)[C@H](O)CNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000788187667 804654025 /nfs/dbraw/zinc/65/40/25/804654025.db2.gz ZTYBXEIIRRPUCP-SNVBAGLBSA-N -1 0 322.296 -0.446 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]OC[C@H]1CCOC1)n1cccn1 ZINC000788272564 804654785 /nfs/dbraw/zinc/65/47/85/804654785.db2.gz BWCPMTCHPVKFJK-RYUDHWBXSA-N -1 0 310.354 -0.013 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000788357335 804657682 /nfs/dbraw/zinc/65/76/82/804657682.db2.gz HAMGANJRTIUBTI-UHFFFAOYSA-N -1 0 320.758 -0.643 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@]3(CNC(=O)C3)C2)c[nH]1 ZINC000788403227 804661587 /nfs/dbraw/zinc/66/15/87/804661587.db2.gz IHPKYIYQTSDFGH-LBPRGKRZSA-N -1 0 313.335 -0.386 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCOCC(F)F ZINC000788471355 804661617 /nfs/dbraw/zinc/66/16/17/804661617.db2.gz QJTSAZIBHLDQTN-UHFFFAOYSA-N -1 0 301.253 -0.531 20 0 DBADRM O=C([O-])/C=C\CNS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000788444828 804662033 /nfs/dbraw/zinc/66/20/33/804662033.db2.gz BDUBTPFMNGBCDJ-DJWKRKHSSA-N -1 0 309.307 -0.419 20 0 DBADRM CC/C(C)=C\C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001284229726 804663339 /nfs/dbraw/zinc/66/33/39/804663339.db2.gz FUVIAKOTLYXURO-GRKOMRHMSA-N -1 0 309.326 -0.126 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1ncn(C)c1Cl)CC(=O)[O-] ZINC000788694736 804666077 /nfs/dbraw/zinc/66/60/77/804666077.db2.gz QOUFMXRLZBDGKH-LURJTMIESA-N -1 0 311.747 -0.159 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cccc2nonc21)CC(=O)[O-] ZINC000788699114 804666473 /nfs/dbraw/zinc/66/64/73/804666473.db2.gz SBMJUQQAGDGFRK-SSDOTTSWSA-N -1 0 315.307 -0.009 20 0 DBADRM Cn1cc(Br)cc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000789472356 804673780 /nfs/dbraw/zinc/67/37/80/804673780.db2.gz LBTNQRYPGLRLCJ-UHFFFAOYSA-N -1 0 324.156 -0.668 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccnn1CC(F)F ZINC000789482718 804674162 /nfs/dbraw/zinc/67/41/62/804674162.db2.gz NPEHXAZZTYJOCY-UHFFFAOYSA-N -1 0 320.281 -0.605 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000789588720 804674993 /nfs/dbraw/zinc/67/49/93/804674993.db2.gz BQTNUJAXAMWYLC-NSHDSACASA-N -1 0 310.354 -0.002 20 0 DBADRM CC(C)(C)c1csc(NC(=O)C(=O)[N-]OCC(N)=O)n1 ZINC000789773726 804676181 /nfs/dbraw/zinc/67/61/81/804676181.db2.gz CBWXDQYBVWCJFX-UHFFFAOYSA-N -1 0 300.340 -0.088 20 0 DBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)c1 ZINC000789794513 804676207 /nfs/dbraw/zinc/67/62/07/804676207.db2.gz YQEIWHLQMYYWOS-UHFFFAOYSA-N -1 0 308.319 -0.112 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@]1(C)C=CCC1 ZINC001284289207 804676311 /nfs/dbraw/zinc/67/63/11/804676311.db2.gz QCXVWDQJPXQBMM-RTHLEPHNSA-N -1 0 321.337 -0.126 20 0 DBADRM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000789791719 804676394 /nfs/dbraw/zinc/67/63/94/804676394.db2.gz SCQAYOQPACZAHC-RKDXNWHRSA-N -1 0 303.340 -0.201 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccnn1-c1ccncc1 ZINC000789826620 804677437 /nfs/dbraw/zinc/67/74/37/804677437.db2.gz YIJSNDWJVREATB-UHFFFAOYSA-N -1 0 305.294 -0.100 20 0 DBADRM CNC(=O)c1ccc(C)c(NC(=O)C(=O)[N-]OCCOC)c1 ZINC000789824674 804677497 /nfs/dbraw/zinc/67/74/97/804677497.db2.gz IIWXAZCJVIWYLD-UHFFFAOYSA-N -1 0 309.322 -0.013 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000789826924 804677759 /nfs/dbraw/zinc/67/77/59/804677759.db2.gz QJRPEPHEPPEHLW-UHFFFAOYSA-N -1 0 305.294 -0.100 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000789824552 804677943 /nfs/dbraw/zinc/67/79/43/804677943.db2.gz GENQLGVTMZKCQU-UHFFFAOYSA-N -1 0 324.272 -0.566 20 0 DBADRM O=C([N-]S(=O)(=O)CCCF)[C@@H]1CCCCS1(=O)=O ZINC000791820913 804708946 /nfs/dbraw/zinc/70/89/46/804708946.db2.gz YFVPECNBHSUYFM-QMMMGPOBSA-N -1 0 301.361 -0.241 20 0 DBADRM CSc1c(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cnn1C ZINC000791806024 804709247 /nfs/dbraw/zinc/70/92/47/804709247.db2.gz BCDLDSHHQICXDU-ZETCQYMHSA-N -1 0 305.381 -0.010 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791948086 804712307 /nfs/dbraw/zinc/71/23/07/804712307.db2.gz UHZDDTKNFLTQBP-UHFFFAOYSA-N -1 0 319.314 -0.870 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791947681 804712458 /nfs/dbraw/zinc/71/24/58/804712458.db2.gz NIELBCNOEPYXKY-SSDOTTSWSA-N -1 0 303.315 -0.060 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)C[C@@H]2CCCOC2)CCOC1 ZINC000792773721 804722185 /nfs/dbraw/zinc/72/21/85/804722185.db2.gz RWFGUUPMOOADKP-ZYHUDNBSSA-N -1 0 307.368 -0.336 20 0 DBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)n1 ZINC000793137444 804724891 /nfs/dbraw/zinc/72/48/91/804724891.db2.gz LGWQNXIHGBWYDO-UHFFFAOYSA-N -1 0 321.362 -0.152 20 0 DBADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1cnn(C)n1 ZINC000793120958 804724918 /nfs/dbraw/zinc/72/49/18/804724918.db2.gz ZVGVKGYZPYMKKJ-UHFFFAOYSA-N -1 0 309.351 -0.078 20 0 DBADRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2cnn(C)n2)cc1 ZINC000793109197 804725002 /nfs/dbraw/zinc/72/50/02/804725002.db2.gz DZAGYDDSGJFGGO-UHFFFAOYSA-N -1 0 323.334 -0.108 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)COCc1ccnn1C ZINC000793149549 804725799 /nfs/dbraw/zinc/72/57/99/804725799.db2.gz ULEPQJAYWXCPBH-VIFPVBQESA-N -1 0 305.356 -0.582 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)n1 ZINC000793219999 804727025 /nfs/dbraw/zinc/72/70/25/804727025.db2.gz BMHMXZDVNZMXHH-NKWVEPMBSA-N -1 0 304.328 -0.928 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)COCc1ccnn1C ZINC000793280603 804728367 /nfs/dbraw/zinc/72/83/67/804728367.db2.gz ICGRBPIZFNMGFM-VIFPVBQESA-N -1 0 305.356 -0.582 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CNC(C)=O)c(C)c1 ZINC000793336535 804728695 /nfs/dbraw/zinc/72/86/95/804728695.db2.gz QINRNZIRNKOSNZ-UHFFFAOYSA-N -1 0 300.336 -0.055 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2ccccn2)CCC1 ZINC000793312731 804728847 /nfs/dbraw/zinc/72/88/47/804728847.db2.gz OZQVGZBCIHGYLC-UHFFFAOYSA-N -1 0 311.363 -0.056 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1cn2ccc(C)cc2n1 ZINC000793751111 804736532 /nfs/dbraw/zinc/73/65/32/804736532.db2.gz SBYFXTVHTOVOME-UHFFFAOYSA-N -1 0 306.322 -0.047 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCN1Cc2ccccc2C1 ZINC000793868848 804738103 /nfs/dbraw/zinc/73/81/03/804738103.db2.gz VIFHNQYHXAFFDL-UHFFFAOYSA-N -1 0 307.350 -0.187 20 0 DBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NC/C=C/C(=O)[O-])cn1 ZINC000794906387 804752809 /nfs/dbraw/zinc/75/28/09/804752809.db2.gz JQSLUQJVDWZOLC-NSCUHMNNSA-N -1 0 320.348 -0.596 20 0 DBADRM NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000795352373 804758362 /nfs/dbraw/zinc/75/83/62/804758362.db2.gz HOVCQDLETQLRSA-UHFFFAOYSA-N -1 0 308.279 -0.154 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000796699318 804772848 /nfs/dbraw/zinc/77/28/48/804772848.db2.gz KZQUTJRZTWAORH-UHFFFAOYSA-N -1 0 304.328 -0.585 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)C1CC1 ZINC000796611829 804773276 /nfs/dbraw/zinc/77/32/76/804773276.db2.gz LZLILHVAHBFYIP-SNVBAGLBSA-N -1 0 315.351 -0.646 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000796700689 804773296 /nfs/dbraw/zinc/77/32/96/804773296.db2.gz SYLWFXZAIHKYHI-MRVPVSSYSA-N -1 0 318.317 -0.037 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C[C@@H]1CCC(=O)[C@@H]1C ZINC000796764176 804773875 /nfs/dbraw/zinc/77/38/75/804773875.db2.gz VKLFFKQANOWVTF-ZJUUUORDSA-N -1 0 306.384 -0.069 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CC1OCCO1 ZINC000796739142 804773973 /nfs/dbraw/zinc/77/39/73/804773973.db2.gz XBALNXOZJQYBRZ-UHFFFAOYSA-N -1 0 303.340 -0.395 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)C1 ZINC000796868544 804774742 /nfs/dbraw/zinc/77/47/42/804774742.db2.gz KBSWJWMYVJJSDM-QMMMGPOBSA-N -1 0 300.340 -0.527 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cc1cnn(C)c1C ZINC000796881090 804774789 /nfs/dbraw/zinc/77/47/89/804774789.db2.gz BRDNOARBLLPRCG-UHFFFAOYSA-N -1 0 317.367 -0.330 20 0 DBADRM NC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cc1 ZINC000796871207 804775013 /nfs/dbraw/zinc/77/50/13/804775013.db2.gz BTEAYNSQFMGZSJ-UHFFFAOYSA-N -1 0 324.318 -0.608 20 0 DBADRM O=C(CCNC(=O)c1ccco1)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796869045 804775043 /nfs/dbraw/zinc/77/50/43/804775043.db2.gz OLQYZPGPQUYDHK-UHFFFAOYSA-N -1 0 312.307 -0.372 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cc[nH]n1)C1CCCC1 ZINC000796871313 804775180 /nfs/dbraw/zinc/77/51/80/804775180.db2.gz CRTQRHVMNWHXFP-LLVKDONJSA-N -1 0 314.367 -0.091 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)c1cc[nH]n1)[C@H]1CCSC1 ZINC000796874926 804775215 /nfs/dbraw/zinc/77/52/15/804775215.db2.gz NMVVLXQARZGNAX-QMMMGPOBSA-N -1 0 304.397 -0.348 20 0 DBADRM CC(C)(C)N1C[C@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)CC1=O ZINC000796891441 804775924 /nfs/dbraw/zinc/77/59/24/804775924.db2.gz SSZABNASEUFEIV-MRVPVSSYSA-N -1 0 314.367 -0.138 20 0 DBADRM CC(C)(C)N1C[C@@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)CC1=O ZINC000796891444 804775941 /nfs/dbraw/zinc/77/59/41/804775941.db2.gz SSZABNASEUFEIV-QMMMGPOBSA-N -1 0 314.367 -0.138 20 0 DBADRM Cn1ccc(CCC(=O)[N-]S(=O)(=O)N2CCOCC2)n1 ZINC000796920500 804775952 /nfs/dbraw/zinc/77/59/52/804775952.db2.gz BBYWPZDPZXEKPG-UHFFFAOYSA-N -1 0 302.356 -0.954 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)[nH]1 ZINC000796924085 804776043 /nfs/dbraw/zinc/77/60/43/804776043.db2.gz WZMKAYKBBAYUCR-UHFFFAOYSA-N -1 0 317.323 -0.892 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)[nH]1 ZINC000796883303 804776148 /nfs/dbraw/zinc/77/61/48/804776148.db2.gz PYWBZUSUNHEOIY-ZETCQYMHSA-N -1 0 302.308 -0.350 20 0 DBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000797019254 804776384 /nfs/dbraw/zinc/77/63/84/804776384.db2.gz CTQMBYSHORACLB-LSJOCFKGSA-N -1 0 306.384 -0.228 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)COCc1ncc(C)o1 ZINC000797006332 804776589 /nfs/dbraw/zinc/77/65/89/804776589.db2.gz ILLHSHMVOOXVQF-UHFFFAOYSA-N -1 0 306.340 -0.018 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000797040079 804777001 /nfs/dbraw/zinc/77/70/01/804777001.db2.gz QBYNQZUUNMULEL-UHFFFAOYSA-N -1 0 320.758 -0.141 20 0 DBADRM Cc1c(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)cnn1C ZINC000797057236 804777015 /nfs/dbraw/zinc/77/70/15/804777015.db2.gz XPIRZMYVTAVMEA-NSHDSACASA-N -1 0 301.368 -0.104 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1C ZINC000797217376 804777700 /nfs/dbraw/zinc/77/77/00/804777700.db2.gz BJQVSOIXWWODMH-UHFFFAOYSA-N -1 0 313.339 -0.345 20 0 DBADRM CCc1nc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c(C)o1 ZINC000797070358 804777791 /nfs/dbraw/zinc/77/77/91/804777791.db2.gz LAUOPQLFORBRES-UHFFFAOYSA-N -1 0 303.340 -0.148 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCO2)[C@@H]1CCNC(=O)C1 ZINC000797256363 804778575 /nfs/dbraw/zinc/77/85/75/804778575.db2.gz WPFUSJAUSGGAGN-SNVBAGLBSA-N -1 0 324.358 -0.047 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC000797283627 804778635 /nfs/dbraw/zinc/77/86/35/804778635.db2.gz KIRFLMQHGFPVTI-PSASIEDQSA-N -1 0 320.367 -0.748 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCO2)[C@H]1CCNC(=O)C1 ZINC000797256359 804779015 /nfs/dbraw/zinc/77/90/15/804779015.db2.gz WPFUSJAUSGGAGN-JTQLQIEISA-N -1 0 324.358 -0.047 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCn1nc(C)cc1C ZINC000797284049 804779065 /nfs/dbraw/zinc/77/90/65/804779065.db2.gz UWIOZGCJPIRNRN-JTQLQIEISA-N -1 0 317.367 -0.102 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)CCC(F)(F)F)C1=O ZINC000797257970 804779078 /nfs/dbraw/zinc/77/90/78/804779078.db2.gz AHCGWJWGOGBALF-ZCFIWIBFSA-N -1 0 302.274 -0.137 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)C1=O ZINC000797255590 804779182 /nfs/dbraw/zinc/77/91/82/804779182.db2.gz UNVNUZYDGFRMDH-LLVKDONJSA-N -1 0 324.358 -0.095 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCOCC(F)F ZINC000797288938 804779582 /nfs/dbraw/zinc/77/95/82/804779582.db2.gz BYOIDYPHCJTZRA-ZCFIWIBFSA-N -1 0 303.283 -0.334 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)c1cnn(C)c1 ZINC000797285759 804779592 /nfs/dbraw/zinc/77/95/92/804779592.db2.gz VUOXNKNQDBXZIU-HTQZYQBOSA-N -1 0 303.340 -0.469 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000797289739 804779808 /nfs/dbraw/zinc/77/98/08/804779808.db2.gz HZNDTRFOXPKFPH-ZETCQYMHSA-N -1 0 309.340 -0.417 20 0 DBADRM CCCc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)[nH]n1 ZINC000797287133 804779871 /nfs/dbraw/zinc/77/98/71/804779871.db2.gz ZPFZVOCOUPROBK-SSDOTTSWSA-N -1 0 303.340 -0.017 20 0 DBADRM CCOc1nc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)co1 ZINC000797290838 804779915 /nfs/dbraw/zinc/77/99/15/804779915.db2.gz CQPUMUOWDSEIQY-ZCFIWIBFSA-N -1 0 306.296 -0.306 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000797288530 804779968 /nfs/dbraw/zinc/77/99/68/804779968.db2.gz BJJBKLMQRHOMIA-RXMQYKEDSA-N -1 0 320.348 -0.532 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@H]1CCC(=O)[C@@H]1C ZINC000797301753 804780333 /nfs/dbraw/zinc/78/03/33/804780333.db2.gz WXSCVSDAZBLWJA-HRDYMLBCSA-N -1 0 305.352 -0.001 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc(OC)nc1 ZINC000797304285 804780579 /nfs/dbraw/zinc/78/05/79/804780579.db2.gz NAUOLYXLLHZMDF-ZCFIWIBFSA-N -1 0 303.296 -0.894 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)COCc1ncc(C)o1 ZINC000797305423 804780633 /nfs/dbraw/zinc/78/06/33/804780633.db2.gz LOZXEYBWGGLIBO-MRVPVSSYSA-N -1 0 320.323 -0.493 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)n1 ZINC000797302244 804780652 /nfs/dbraw/zinc/78/06/52/804780652.db2.gz ZGFGDUXNCZMRDK-QMMMGPOBSA-N -1 0 319.339 -0.849 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC000797299143 804780675 /nfs/dbraw/zinc/78/06/75/804780675.db2.gz OSPCNLYGPBHAJG-PRHODGIISA-N -1 0 320.367 -0.748 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)n1 ZINC000797302243 804780717 /nfs/dbraw/zinc/78/07/17/804780717.db2.gz ZGFGDUXNCZMRDK-MRVPVSSYSA-N -1 0 319.339 -0.849 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)CC1 ZINC000797300852 804780760 /nfs/dbraw/zinc/78/07/60/804780760.db2.gz GKZCDGYQELDHMM-SSDOTTSWSA-N -1 0 307.324 -0.663 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000797306576 804781625 /nfs/dbraw/zinc/78/16/25/804781625.db2.gz PYSUSDKAGVBTKH-HRDYMLBCSA-N -1 0 305.352 -0.001 20 0 DBADRM COCc1ncsc1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000797308374 804781653 /nfs/dbraw/zinc/78/16/53/804781653.db2.gz YLVLCIJGQBWRFA-ZCFIWIBFSA-N -1 0 322.364 -0.089 20 0 DBADRM COc1ccccc1CCNC(=O)CNC(=O)c1cc(=O)[nH][n-]1 ZINC000798123604 804785782 /nfs/dbraw/zinc/78/57/82/804785782.db2.gz RMRPZNQPYRQQFL-UHFFFAOYSA-N -1 0 318.333 -0.654 20 0 DBADRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000798200191 804786803 /nfs/dbraw/zinc/78/68/03/804786803.db2.gz OQMOBGUWOGOUFU-SECBINFHSA-N -1 0 322.383 -0.310 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccn2)CC1=O ZINC000798206513 804786832 /nfs/dbraw/zinc/78/68/32/804786832.db2.gz ZLQAPWZZNDLMPB-JTQLQIEISA-N -1 0 311.363 -0.104 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000798201795 804786993 /nfs/dbraw/zinc/78/69/93/804786993.db2.gz YZHAMZRGGUMMFK-KHQFGBGNSA-N -1 0 305.352 -0.001 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn2cccnc12 ZINC000798201162 804787060 /nfs/dbraw/zinc/78/70/60/804787060.db2.gz RXDPAGWXOSOXDI-ZETCQYMHSA-N -1 0 312.307 -0.650 20 0 DBADRM CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000798199246 804787206 /nfs/dbraw/zinc/78/72/06/804787206.db2.gz AYEAGBJDRZKYKV-SSDOTTSWSA-N -1 0 303.340 -0.396 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CSCCS1 ZINC000798199757 804787484 /nfs/dbraw/zinc/78/74/84/804787484.db2.gz JZKVZZAVIFNHRL-BQBZGAKWSA-N -1 0 313.422 -0.158 20 0 DBADRM Cn1c(=O)c2ccc(C(=O)NC[C@](C)(O)CO)cc2[n-]c1=S ZINC000798264742 804788148 /nfs/dbraw/zinc/78/81/48/804788148.db2.gz UQHULLNVQFJHIJ-AWEZNQCLSA-N -1 0 323.374 -0.305 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](OC)c1cnn(C)c1 ZINC000798839578 804801977 /nfs/dbraw/zinc/80/19/77/804801977.db2.gz YUBUBCNEGJVFMY-SNVBAGLBSA-N -1 0 320.371 -0.953 20 0 DBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000798845769 804802140 /nfs/dbraw/zinc/80/21/40/804802140.db2.gz PIEXAPQJFPKUNP-UHFFFAOYSA-N -1 0 301.715 -0.018 20 0 DBADRM CC(C)(C)/C=C/C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001284932489 804802220 /nfs/dbraw/zinc/80/22/20/804802220.db2.gz XNYUOIRNJMQHHO-SNAWJCMRSA-N -1 0 323.353 -0.381 20 0 DBADRM O=C([N-]S(=O)(=O)CC1CC1)[C@@H]1COCCN1CC(F)F ZINC000798830961 804802291 /nfs/dbraw/zinc/80/22/91/804802291.db2.gz XPGWYNHDIFZLHD-VIFPVBQESA-N -1 0 312.338 -0.192 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)c1cnn(C)c1 ZINC000798830991 804802301 /nfs/dbraw/zinc/80/23/01/804802301.db2.gz YKIAEDVEFOPCBI-UWVGGRQHSA-N -1 0 303.340 -0.658 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCC(=O)NC2)cn1 ZINC000798837059 804802376 /nfs/dbraw/zinc/80/23/76/804802376.db2.gz CITUEBATBMOCFR-GFCCVEGCSA-N -1 0 314.367 -0.376 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H]1CCCc2nn(C)cc21 ZINC000798827968 804802622 /nfs/dbraw/zinc/80/26/22/804802622.db2.gz GXMTWONPOULBNG-VIFPVBQESA-N -1 0 301.368 -0.068 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](OC)c1cnn(C)c1 ZINC000798839577 804802638 /nfs/dbraw/zinc/80/26/38/804802638.db2.gz YUBUBCNEGJVFMY-JTQLQIEISA-N -1 0 320.371 -0.953 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2cnnn2C)c1 ZINC000798851037 804803545 /nfs/dbraw/zinc/80/35/45/804803545.db2.gz SUUOFAFRYRJMON-UHFFFAOYSA-N -1 0 312.355 -0.214 20 0 DBADRM CC1=C(C(=O)NCc2n[nH]c(=O)[n-]2)[C@@H](C)n2ncnc2N1C ZINC000798973439 804803919 /nfs/dbraw/zinc/80/39/19/804803919.db2.gz YRLYKXVXZXOCFO-SSDOTTSWSA-N -1 0 304.314 -0.297 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC000798999026 804804958 /nfs/dbraw/zinc/80/49/58/804804958.db2.gz DJASMJYMWWJMKD-SFYZADRCSA-N -1 0 312.288 -0.355 20 0 DBADRM COc1ccccc1CO[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000799096020 804807297 /nfs/dbraw/zinc/80/72/97/804807297.db2.gz XPPIGGJOUZUJAD-UHFFFAOYSA-N -1 0 319.317 -0.046 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCc1nnn(C)n1 ZINC000799516089 804813471 /nfs/dbraw/zinc/81/34/71/804813471.db2.gz OXXWINJCQZJPDO-ZETCQYMHSA-N -1 0 309.248 -0.044 20 0 DBADRM CCOCC1(C(=O)[N-]S(=O)(=O)CCOCCOC)CC1 ZINC000799619921 804814999 /nfs/dbraw/zinc/81/49/99/804814999.db2.gz RHUMIHDKDYPCND-UHFFFAOYSA-N -1 0 309.384 -0.088 20 0 DBADRM O=C(Cn1c(=S)[n-]c2ccccc2c1=O)N[C@H]1CNC(=O)C1 ZINC000799717879 804815233 /nfs/dbraw/zinc/81/52/33/804815233.db2.gz VVYHHBADICFORR-MRVPVSSYSA-N -1 0 318.358 -0.310 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1csc2cncn21 ZINC000800549914 804825167 /nfs/dbraw/zinc/82/51/67/804825167.db2.gz RLKBCLGZWUTAOM-UHFFFAOYSA-N -1 0 316.364 -0.409 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H](O)C1CCCCC1 ZINC000800551090 804825203 /nfs/dbraw/zinc/82/52/03/804825203.db2.gz PEJGOZUDMRHMCM-NSHDSACASA-N -1 0 306.384 -0.490 20 0 DBADRM Cc1ccccc1OCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800548769 804825419 /nfs/dbraw/zinc/82/54/19/804825419.db2.gz CNRZGGJNAKSGFW-UHFFFAOYSA-N -1 0 314.363 -0.044 20 0 DBADRM Cc1nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c2ccccn12 ZINC000800551290 804825446 /nfs/dbraw/zinc/82/54/46/804825446.db2.gz YSGDKTQGDPQEDU-UHFFFAOYSA-N -1 0 324.362 -0.162 20 0 DBADRM CC(C)c1ocnc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800548815 804825493 /nfs/dbraw/zinc/82/54/93/804825493.db2.gz GDPUHPDDNICBHX-UHFFFAOYSA-N -1 0 303.340 -0.006 20 0 DBADRM COc1cccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC000800551071 804825802 /nfs/dbraw/zinc/82/58/02/804825802.db2.gz OMVYVZBOGFMYQP-UHFFFAOYSA-N -1 0 301.324 -0.714 20 0 DBADRM Cc1csc(CCC(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC000800552990 804826195 /nfs/dbraw/zinc/82/61/95/804826195.db2.gz GSBICTZSUNTNIE-UHFFFAOYSA-N -1 0 319.408 -0.034 20 0 DBADRM CC(C)c1nn(C)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800551865 804826340 /nfs/dbraw/zinc/82/63/40/804826340.db2.gz UQMXEZIJADNZNZ-UHFFFAOYSA-N -1 0 316.383 -0.261 20 0 DBADRM COCc1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)o1 ZINC000800551881 804826392 /nfs/dbraw/zinc/82/63/92/804826392.db2.gz VHRCDAXWJVJXLI-UHFFFAOYSA-N -1 0 304.324 -0.378 20 0 DBADRM C[C@@H]1C(=O)CC[C@H]1CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800553097 804826618 /nfs/dbraw/zinc/82/66/18/804826618.db2.gz IJCBUNMIWMSQAS-IUCAKERBSA-N -1 0 304.368 -0.426 20 0 DBADRM COCCN1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1=O ZINC000800818337 804827876 /nfs/dbraw/zinc/82/78/76/804827876.db2.gz SHYWVHLXEIFEQY-UHFFFAOYSA-N -1 0 317.323 -0.850 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCO[C@H](C(F)F)C1 ZINC000801011321 804830318 /nfs/dbraw/zinc/83/03/18/804830318.db2.gz ANNNMNOUTUDQOS-QMMMGPOBSA-N -1 0 313.264 -0.436 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@@](C)(O)CO ZINC000801975609 804841545 /nfs/dbraw/zinc/84/15/45/804841545.db2.gz JMUMAHLENZSVEL-OIBJUYFYSA-N -1 0 300.277 -0.451 20 0 DBADRM Cn1nnc2c1nccc2C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000802052349 804841661 /nfs/dbraw/zinc/84/16/61/804841661.db2.gz OUIKVKPPTJJNPG-UHFFFAOYSA-N -1 0 310.339 -0.566 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1cncc(-n2ccnn2)c1 ZINC000802083476 804842044 /nfs/dbraw/zinc/84/20/44/804842044.db2.gz KSBGPSXZAMOXMI-LLVKDONJSA-N -1 0 323.334 -0.489 20 0 DBADRM Cn1nnc2c1nccc2C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000802088141 804842471 /nfs/dbraw/zinc/84/24/71/804842471.db2.gz UUAKONXOKLGTAN-UHFFFAOYSA-N -1 0 318.318 -0.123 20 0 DBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC ZINC000802157694 804842521 /nfs/dbraw/zinc/84/25/21/804842521.db2.gz MKVIBGBOFPAUKT-CIUDSAMLSA-N -1 0 323.367 -0.171 20 0 DBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC ZINC000802157696 804842826 /nfs/dbraw/zinc/84/28/26/804842826.db2.gz MKVIBGBOFPAUKT-XHNCKOQMSA-N -1 0 323.367 -0.171 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1 ZINC000802168505 804843217 /nfs/dbraw/zinc/84/32/17/804843217.db2.gz VMLWRUYQKFEWFM-BDAKNGLRSA-N -1 0 317.367 -0.394 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cncnc1 ZINC000802167006 804843693 /nfs/dbraw/zinc/84/36/93/804843693.db2.gz KNJRYYBYZCNMJR-JGVFFNPUSA-N -1 0 301.324 -0.266 20 0 DBADRM Cc1cc(=O)c(COC(=O)CN2CCCS2(=O)=O)n[n-]1 ZINC000802169928 804843821 /nfs/dbraw/zinc/84/38/21/804843821.db2.gz UZFREOXGSANNMK-UHFFFAOYSA-N -1 0 301.324 -0.431 20 0 DBADRM COc1ncc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)cn1 ZINC000802206987 804844338 /nfs/dbraw/zinc/84/43/38/804844338.db2.gz PWOIZVPZUYZLOV-UHFFFAOYSA-N -1 0 323.334 -0.253 20 0 DBADRM Cn1nnc2c1nccc2C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000802212446 804844443 /nfs/dbraw/zinc/84/44/43/804844443.db2.gz SERRVXQWFDJSKT-UHFFFAOYSA-N -1 0 307.295 -0.795 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)nn1 ZINC000802209376 804844574 /nfs/dbraw/zinc/84/45/74/804844574.db2.gz VXTVHUZIWSUABV-UHFFFAOYSA-N -1 0 324.366 -0.051 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1sccc1C ZINC000802868978 804848135 /nfs/dbraw/zinc/84/81/35/804848135.db2.gz LIVJDNQNZFXJDD-UHFFFAOYSA-N -1 0 320.392 -0.034 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)C1=O ZINC000803006834 804849195 /nfs/dbraw/zinc/84/91/95/804849195.db2.gz NKURDRDCWKHXNS-ZJUUUORDSA-N -1 0 304.368 -0.663 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCCN(C(=O)OC)C1 ZINC000804010758 804860894 /nfs/dbraw/zinc/86/08/94/804860894.db2.gz VEYFWXISMDRAEU-VIFPVBQESA-N -1 0 303.315 -0.972 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)c2cc(=O)[nH][n-]2)ccc1F ZINC000804174344 804867061 /nfs/dbraw/zinc/86/70/61/804867061.db2.gz RWZRVNOLMRCCTH-UHFFFAOYSA-N -1 0 314.298 -0.452 20 0 DBADRM CCN1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H](C)C1 ZINC000804380373 804869368 /nfs/dbraw/zinc/86/93/68/804869368.db2.gz IFKMTBRVDFHXPI-SNVBAGLBSA-N -1 0 304.354 -0.376 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)C2CC=CC2)c1[O-] ZINC001285424709 804876139 /nfs/dbraw/zinc/87/61/39/804876139.db2.gz BXPOEMHBHKJKGR-JTQLQIEISA-N -1 0 308.338 -0.403 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)C2=COCCO2)c1[O-] ZINC001285466754 804889849 /nfs/dbraw/zinc/88/98/49/804889849.db2.gz RAZAKXNBYDFLAV-IHWYPQMZSA-N -1 0 322.321 -0.286 20 0 DBADRM CCOC(=O)COCCOC(=O)c1cc(=O)[n-]c(OC)n1 ZINC000805532243 804893053 /nfs/dbraw/zinc/89/30/53/804893053.db2.gz TUCXMQAMZHVECC-UHFFFAOYSA-N -1 0 300.267 -0.073 20 0 DBADRM CCCCC(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001285484500 804895383 /nfs/dbraw/zinc/89/53/83/804895383.db2.gz QKUHMOZUMXQVPB-SNAWJCMRSA-N -1 0 309.326 -0.125 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)COCc1ccccn1 ZINC000805894802 804904984 /nfs/dbraw/zinc/90/49/84/804904984.db2.gz UNEFEFLFVZLMIY-UHFFFAOYSA-N -1 0 317.367 -0.463 20 0 DBADRM O=C(COCc1ccccn1)[N-]S(=O)(=O)c1cnccn1 ZINC000805895316 804905168 /nfs/dbraw/zinc/90/51/68/804905168.db2.gz NJXDBHCLMICOIE-UHFFFAOYSA-N -1 0 308.319 -0.107 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)CO[C@H](C)c1nccn1C ZINC000805880155 804905358 /nfs/dbraw/zinc/90/53/58/804905358.db2.gz XGTYZQFWFMAHEV-SNVBAGLBSA-N -1 0 319.383 -0.020 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)COCc1cccnc1 ZINC000805915544 804905414 /nfs/dbraw/zinc/90/54/14/804905414.db2.gz MNGIDFJSBRUPJZ-VIFPVBQESA-N -1 0 316.335 -0.394 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)CCN2CCCS2(=O)=O)CC1 ZINC000806026718 804909394 /nfs/dbraw/zinc/90/93/94/804909394.db2.gz IPSAIPXDFMKDHA-UHFFFAOYSA-N -1 0 310.397 -0.590 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)CCC(=O)N2CCOCC2)CC1 ZINC000806028805 804909752 /nfs/dbraw/zinc/90/97/52/804909752.db2.gz YHMSGLYHAFZFKO-UHFFFAOYSA-N -1 0 304.368 -0.376 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000806688782 804921898 /nfs/dbraw/zinc/92/18/98/804921898.db2.gz YNTRGFPVLVEBOO-NSHDSACASA-N -1 0 316.354 -0.127 20 0 DBADRM CCOC(CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1)OCC ZINC000806695402 804923063 /nfs/dbraw/zinc/92/30/63/804923063.db2.gz OOGVQTXODHOPAX-UHFFFAOYSA-N -1 0 306.344 -0.064 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001285600715 804924213 /nfs/dbraw/zinc/92/42/13/804924213.db2.gz XRVIDTFFSRXCIA-ALCGYSGWSA-N -1 0 321.337 -0.269 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCO1 ZINC000806913958 804927166 /nfs/dbraw/zinc/92/71/66/804927166.db2.gz KPRPOFPXVAFNRO-ZETCQYMHSA-N -1 0 316.339 -0.607 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)[N-]OCCSC ZINC000807131488 804931932 /nfs/dbraw/zinc/93/19/32/804931932.db2.gz UETAJITUCOUMLN-NXEZZACHSA-N -1 0 306.384 -0.293 20 0 DBADRM Cn1c(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)nc2cccnc21 ZINC000807259276 804934108 /nfs/dbraw/zinc/93/41/08/804934108.db2.gz RUJCHNIGUKJHJX-UHFFFAOYSA-N -1 0 324.304 -0.008 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCN(C(=O)CC)C1 ZINC000807840652 804940246 /nfs/dbraw/zinc/94/02/46/804940246.db2.gz HIAPEPLMAKILJY-JTQLQIEISA-N -1 0 301.343 -0.802 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC=CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001285677598 804941499 /nfs/dbraw/zinc/94/14/99/804941499.db2.gz KSZJLNUWYHOONL-ZJUUUORDSA-N -1 0 323.353 -0.334 20 0 DBADRM CCCCCC(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001285711217 804949386 /nfs/dbraw/zinc/94/93/86/804949386.db2.gz YPPKXBZAKSIQLA-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCCO[C@H]1CCOC1 ZINC000808273521 804955741 /nfs/dbraw/zinc/95/57/41/804955741.db2.gz AHWSSKVEMYNMRA-JTQLQIEISA-N -1 0 306.384 -0.291 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H](C)CO[C@@H]1CCOC1 ZINC000808278546 804956088 /nfs/dbraw/zinc/95/60/88/804956088.db2.gz XXQYIRIOSKDCDF-WDEREUQCSA-N -1 0 304.343 -0.619 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCCO[C@@H]1CCOC1 ZINC000808273522 804956225 /nfs/dbraw/zinc/95/62/25/804956225.db2.gz AHWSSKVEMYNMRA-SNVBAGLBSA-N -1 0 306.384 -0.291 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2c[nH]nc2C)C1=O ZINC000808310147 804956987 /nfs/dbraw/zinc/95/69/87/804956987.db2.gz TXGUYNDZLXRSDV-JTQLQIEISA-N -1 0 301.328 -0.368 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CCO1 ZINC000808776861 804965586 /nfs/dbraw/zinc/96/55/86/804965586.db2.gz DQXFYPTXXGTGOY-QWRGUYRKSA-N -1 0 309.370 -0.063 20 0 DBADRM CC1(C(=O)NC[C@@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)CC=CC1 ZINC001325126487 807037948 /nfs/dbraw/zinc/03/79/48/807037948.db2.gz OYFPEUICCHKBGE-HNNXBMFYSA-N -1 0 321.381 -0.080 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cn1cc(Cl)cn1 ZINC000808986216 804967324 /nfs/dbraw/zinc/96/73/24/804967324.db2.gz MRNSUTHKJLZBQL-UHFFFAOYSA-N -1 0 323.758 -0.064 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ocnc1C1CC1 ZINC000808988062 804967508 /nfs/dbraw/zinc/96/75/08/804967508.db2.gz ISTBCERGYDJMAM-UHFFFAOYSA-N -1 0 301.324 -0.141 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(=O)N1 ZINC000808991704 804967859 /nfs/dbraw/zinc/96/78/59/804967859.db2.gz IUOGDYMWKANLHD-JTQLQIEISA-N -1 0 322.383 -0.846 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)nn1 ZINC000808986335 804967881 /nfs/dbraw/zinc/96/78/81/804967881.db2.gz YBCHVLBURXTKLH-UHFFFAOYSA-N -1 0 301.715 -0.018 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc3nsnc32)nn1 ZINC000809006943 804967920 /nfs/dbraw/zinc/96/79/20/804967920.db2.gz NNJSQTASHBYOED-UHFFFAOYSA-N -1 0 324.347 -0.062 20 0 DBADRM COCc1nc(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C)co1 ZINC000809031463 804969218 /nfs/dbraw/zinc/96/92/18/804969218.db2.gz BCHGAHBDBKZGMS-UHFFFAOYSA-N -1 0 314.323 -0.018 20 0 DBADRM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C(=O)[N-]OCCOC)C1 ZINC000809232279 804971217 /nfs/dbraw/zinc/97/12/17/804971217.db2.gz IWJIBAZHFPIWTE-HJTOQOCKSA-N -1 0 320.411 -0.123 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)NC ZINC000809239630 804971308 /nfs/dbraw/zinc/97/13/08/804971308.db2.gz NUULNMRCCAYATO-UWVGGRQHSA-N -1 0 301.343 -0.898 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)[N-]OC2CCOCC2)C[N@@H+]1C1CC1 ZINC000809363184 804975341 /nfs/dbraw/zinc/97/53/41/804975341.db2.gz MNQBDRSNLUZCTN-MNOVXSKESA-N -1 0 311.382 -0.045 20 0 DBADRM COC[C@@H](NC(=O)C(=O)[N-]OCCSC)[C@H]1CCCO1 ZINC000809453938 804976728 /nfs/dbraw/zinc/97/67/28/804976728.db2.gz UDYPYMBZQOFFLN-NXEZZACHSA-N -1 0 306.384 -0.293 20 0 DBADRM COC[C@@H](NC(=O)C(=O)[N-]OCCSC)[C@@H]1CCCO1 ZINC000809453941 804977799 /nfs/dbraw/zinc/97/77/99/804977799.db2.gz UDYPYMBZQOFFLN-ZJUUUORDSA-N -1 0 306.384 -0.293 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)N1CCOCC1)c1ccc(O)cc1 ZINC000809551201 804978359 /nfs/dbraw/zinc/97/83/59/804978359.db2.gz OTKGUCOBTMDFJS-NSHDSACASA-N -1 0 316.335 -0.316 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000809841916 804982608 /nfs/dbraw/zinc/98/26/08/804982608.db2.gz AUXQRLUTRDHLRV-UHFFFAOYSA-N -1 0 317.411 -0.622 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@]1(C)CCOC1=O ZINC000810103815 804990277 /nfs/dbraw/zinc/99/02/77/804990277.db2.gz SJLBMZYWSZRZNK-SNVBAGLBSA-N -1 0 320.348 -0.086 20 0 DBADRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2ncn(C)n2)cc1 ZINC000810515815 804995181 /nfs/dbraw/zinc/99/51/81/804995181.db2.gz VNIFHGMVMRNKQR-UHFFFAOYSA-N -1 0 323.334 -0.108 20 0 DBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)CCOc2ccccc2)n1 ZINC000810600475 804996506 /nfs/dbraw/zinc/99/65/06/804996506.db2.gz PXSGECDLDGCORS-UHFFFAOYSA-N -1 0 310.335 -0.046 20 0 DBADRM COc1cccnc1CC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000810597619 804996546 /nfs/dbraw/zinc/99/65/46/804996546.db2.gz HPPPRZFKKCBYPY-UHFFFAOYSA-N -1 0 315.351 -0.674 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ncn(C)n2)cc1C(N)=O ZINC000810581563 804996694 /nfs/dbraw/zinc/99/66/94/804996694.db2.gz VHTJHDMWPPCIJT-UHFFFAOYSA-N -1 0 323.334 -0.659 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cc2n(n1)CCO2 ZINC000810584378 804996984 /nfs/dbraw/zinc/99/69/84/804996984.db2.gz RBFNSQKFOWUDAH-UHFFFAOYSA-N -1 0 317.323 -0.712 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cncnc1-c1ccccc1 ZINC000810668368 804997211 /nfs/dbraw/zinc/99/72/11/804997211.db2.gz PIHREMGYFPTFLC-UHFFFAOYSA-N -1 0 320.330 -0.312 20 0 DBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000810829560 805000755 /nfs/dbraw/zinc/00/07/55/805000755.db2.gz CLFXBKIUFYBFKU-YFKPBYRVSA-N -1 0 305.312 -0.431 20 0 DBADRM CCn1cc(CC(=O)[N-]S(=O)(=O)c2c(C)onc2N)cn1 ZINC000810828331 805001005 /nfs/dbraw/zinc/00/10/05/805001005.db2.gz PEDXPCLNKOIDPD-UHFFFAOYSA-N -1 0 313.339 -0.171 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)c2c(C)onc2N)nn1 ZINC000810832966 805002110 /nfs/dbraw/zinc/00/21/10/805002110.db2.gz WZBBWJWBOJNWBV-UHFFFAOYSA-N -1 0 314.327 -0.315 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C1=O ZINC000811144860 805005272 /nfs/dbraw/zinc/00/52/72/805005272.db2.gz ZXKPQBLJKAPMQG-MRVPVSSYSA-N -1 0 320.367 -0.890 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)CCN2CCCC2=O)CC1 ZINC000811153623 805005348 /nfs/dbraw/zinc/00/53/48/805005348.db2.gz IGZRUWHDWVOVPB-UHFFFAOYSA-N -1 0 304.368 -0.376 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000811136974 805005502 /nfs/dbraw/zinc/00/55/02/805005502.db2.gz QKHPLYFAZYYVKP-UHFFFAOYSA-N -1 0 322.383 -0.452 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2ccc3nncn3c2)CC1 ZINC000811159162 805005798 /nfs/dbraw/zinc/00/57/98/805005798.db2.gz HYLHZHNKUSCFNW-UHFFFAOYSA-N -1 0 310.335 -0.032 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)C2(COC)CC2)C1 ZINC000811154360 805005834 /nfs/dbraw/zinc/00/58/34/805005834.db2.gz CVMXGYFGWRFIGA-JTQLQIEISA-N -1 0 318.395 -0.130 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C(=O)C2)CC1 ZINC000811157075 805006512 /nfs/dbraw/zinc/00/65/12/805006512.db2.gz VKCIOULNGBCBJD-SECBINFHSA-N -1 0 304.368 -0.520 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000811559472 805011297 /nfs/dbraw/zinc/01/12/97/805011297.db2.gz ARYBMFMMTHNGAF-JTQLQIEISA-N -1 0 324.399 -0.049 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000811559473 805011879 /nfs/dbraw/zinc/01/18/79/805011879.db2.gz ARYBMFMMTHNGAF-SNVBAGLBSA-N -1 0 324.399 -0.049 20 0 DBADRM O=C(N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cc(=O)[nH][n-]1 ZINC000812737494 805021046 /nfs/dbraw/zinc/02/10/46/805021046.db2.gz PCTXKUHEMGQQNU-MRVPVSSYSA-N -1 0 304.281 -0.077 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(C(=O)OC)on2)C1=O ZINC000813546626 805030632 /nfs/dbraw/zinc/03/06/32/805030632.db2.gz GUBUMISDCYIUSA-GFCCVEGCSA-N -1 0 310.266 -0.174 20 0 DBADRM CO[C@@H](C)CCC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813945513 805035507 /nfs/dbraw/zinc/03/55/07/805035507.db2.gz KWXWLJIJUDSSRA-JTQLQIEISA-N -1 0 321.399 -0.673 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccsc2)CC1 ZINC000813946073 805035608 /nfs/dbraw/zinc/03/56/08/805035608.db2.gz TWAQIVSNYSUQMC-UHFFFAOYSA-N -1 0 317.392 -0.113 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC000813950138 805036432 /nfs/dbraw/zinc/03/64/32/805036432.db2.gz KRFOLOZSJLTSMG-PWSUYJOCSA-N -1 0 317.411 -0.052 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C2(F)CCCC2)CC1 ZINC000813949864 805036564 /nfs/dbraw/zinc/03/65/64/805036564.db2.gz DVTNHVZRXKLDOM-UHFFFAOYSA-N -1 0 321.374 -0.206 20 0 DBADRM CC(=O)CCCC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813947496 805036683 /nfs/dbraw/zinc/03/66/83/805036683.db2.gz LOQVDCMOLUZLOQ-UHFFFAOYSA-N -1 0 319.383 -0.729 20 0 DBADRM C/C=C(/CC)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813948648 805036755 /nfs/dbraw/zinc/03/67/55/805036755.db2.gz LNNBRVBJCKKKHZ-WCIBSUBMSA-N -1 0 303.384 -0.132 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCCCO2)CC1 ZINC000813947011 805036858 /nfs/dbraw/zinc/03/68/58/805036858.db2.gz WAFYOYHFHCIXRU-LLVKDONJSA-N -1 0 319.383 -0.919 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cccs2)CC1 ZINC000813950619 805036888 /nfs/dbraw/zinc/03/68/88/805036888.db2.gz YNXLDBNIWZQTFP-UHFFFAOYSA-N -1 0 317.392 -0.113 20 0 DBADRM COC(C)(C)CC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813947752 805037009 /nfs/dbraw/zinc/03/70/09/805037009.db2.gz WAILQYIFZGMGAM-UHFFFAOYSA-N -1 0 321.399 -0.673 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCC2CC2)CC1 ZINC000813950582 805037073 /nfs/dbraw/zinc/03/70/73/805037073.db2.gz WWGXHZDLSLYEGQ-UHFFFAOYSA-N -1 0 303.384 -0.298 20 0 DBADRM CCC(CC)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813947914 805037137 /nfs/dbraw/zinc/03/71/37/805037137.db2.gz DEJMRMDVBTZJFH-UHFFFAOYSA-N -1 0 305.400 -0.052 20 0 DBADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)c2cnn(C)c2C)no1 ZINC000813956321 805037501 /nfs/dbraw/zinc/03/75/01/805037501.db2.gz KCFKTEOJHRPCFS-UHFFFAOYSA-N -1 0 314.323 -0.091 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)o1 ZINC000813988584 805038289 /nfs/dbraw/zinc/03/82/89/805038289.db2.gz MOJSLGKYIZDJJJ-UHFFFAOYSA-N -1 0 312.307 -0.461 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)cc1 ZINC000813986355 805038428 /nfs/dbraw/zinc/03/84/28/805038428.db2.gz ISPDVFIOTCSEBM-UHFFFAOYSA-N -1 0 322.346 -0.054 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000815946455 805062122 /nfs/dbraw/zinc/06/21/22/805062122.db2.gz SDJCRIQTZKIKRH-DTORHVGOSA-N -1 0 300.336 -0.597 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c[nH]1 ZINC000815948499 805062450 /nfs/dbraw/zinc/06/24/50/805062450.db2.gz LXCBULHKARERJV-QMMMGPOBSA-N -1 0 302.308 -0.350 20 0 DBADRM C[C@@H](CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC1 ZINC001286513658 805062873 /nfs/dbraw/zinc/06/28/73/805062873.db2.gz IPDVQMCPNVGHOO-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c(Cl)n1 ZINC000815948159 805062823 /nfs/dbraw/zinc/06/28/23/805062823.db2.gz ATZKZVPGCMRHKQ-MRVPVSSYSA-N -1 0 307.759 -0.149 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000815945483 805062964 /nfs/dbraw/zinc/06/29/64/805062964.db2.gz HQHKLGNDAROXAG-VIFPVBQESA-N -1 0 302.356 -0.632 20 0 DBADRM CC(=O)N[C@H](C)CCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001286513671 805063242 /nfs/dbraw/zinc/06/32/42/805063242.db2.gz YCSMJDGUMQIFSH-SECBINFHSA-N -1 0 320.353 -0.508 20 0 DBADRM CO[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnnn2C)C1 ZINC000816034709 805064680 /nfs/dbraw/zinc/06/46/80/805064680.db2.gz NNALGCIGBYLVRB-DTWKUNHWSA-N -1 0 302.356 -0.175 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC)n1 ZINC000816090795 805065090 /nfs/dbraw/zinc/06/50/90/805065090.db2.gz XYJFJAWJKZAHLN-UHFFFAOYSA-N -1 0 318.355 -0.443 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)c[nH]1 ZINC000816049888 805065903 /nfs/dbraw/zinc/06/59/03/805065903.db2.gz YQMRTASBZQWYCK-SSDOTTSWSA-N -1 0 304.324 -0.104 20 0 DBADRM CCOCCC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816206216 805067255 /nfs/dbraw/zinc/06/72/55/805067255.db2.gz FDFVYFXETPYQBG-UHFFFAOYSA-N -1 0 303.340 -0.103 20 0 DBADRM O=C(C1SCCS1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000816491424 805071174 /nfs/dbraw/zinc/07/11/74/805071174.db2.gz LUHUAFKURWISPV-UHFFFAOYSA-N -1 0 301.397 -0.184 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC(=O)N(C)C(=O)C1 ZINC000816545558 805072469 /nfs/dbraw/zinc/07/24/69/805072469.db2.gz WAFNKIAYCOSGCZ-VIFPVBQESA-N -1 0 323.271 -0.483 20 0 DBADRM O=C(CNC(=O)Cc1cccc(F)c1)Nn1c(=O)[n-][nH]c1=O ZINC000816732136 805079351 /nfs/dbraw/zinc/07/93/51/805079351.db2.gz UNWDIQKKLAZPKD-UHFFFAOYSA-N -1 0 309.257 -0.743 20 0 DBADRM O=C(CN1CCc2ccccc2C1=O)Nn1c(=O)[n-][nH]c1=O ZINC000816733478 805079476 /nfs/dbraw/zinc/07/94/76/805079476.db2.gz YNLIAHDOXKQLHL-UHFFFAOYSA-N -1 0 303.278 -0.542 20 0 DBADRM CCOc1ccccc1C(=O)NCC(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816731830 805079486 /nfs/dbraw/zinc/07/94/86/805079486.db2.gz HCNBASATVSKRHQ-UHFFFAOYSA-N -1 0 321.293 -0.412 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000816732513 805079749 /nfs/dbraw/zinc/07/97/49/805079749.db2.gz KRMLQNVZCZWBOC-NSHDSACASA-N -1 0 319.321 -0.340 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)Nn2c(=O)[n-][nH]c2=O)cc1C ZINC000816731924 805079787 /nfs/dbraw/zinc/07/97/87/805079787.db2.gz LKZBSHDGPJMCIN-UHFFFAOYSA-N -1 0 305.294 -0.194 20 0 DBADRM CC(C)[C@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000816731721 805079941 /nfs/dbraw/zinc/07/99/41/805079941.db2.gz BUOOWXAENDLFFM-OPRDCNLKSA-N -1 0 313.358 -0.107 20 0 DBADRM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816732379 805080154 /nfs/dbraw/zinc/08/01/54/805080154.db2.gz DTQIUWAYUCLFRD-RNFRBKRXSA-N -1 0 315.355 -0.293 20 0 DBADRM O=C(CCNC(=O)Cc1ccccc1)Nn1c(=O)[n-][nH]c1=O ZINC000816734025 805080458 /nfs/dbraw/zinc/08/04/58/805080458.db2.gz WUESECYGJQDSQF-UHFFFAOYSA-N -1 0 305.294 -0.492 20 0 DBADRM CC[C@@H](C)CO[N-]C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000816977308 805089769 /nfs/dbraw/zinc/08/97/69/805089769.db2.gz WWSDBGKVYNJGDQ-LLVKDONJSA-N -1 0 307.416 -0.343 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCCCCC(=O)[O-] ZINC000817113861 805090940 /nfs/dbraw/zinc/09/09/40/805090940.db2.gz AMNXCXSQUGPMJH-SNVBAGLBSA-N -1 0 313.354 -0.563 20 0 DBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H]1CC(C)(C)OC1=O ZINC000817075853 805091067 /nfs/dbraw/zinc/09/10/67/805091067.db2.gz GFTDJWNSWLHMDL-VIFPVBQESA-N -1 0 319.321 -0.376 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)O1 ZINC000817116672 805092170 /nfs/dbraw/zinc/09/21/70/805092170.db2.gz XXHOHOMVMYGLRG-YMTOWFKASA-N -1 0 314.338 -0.423 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[N-]OCC1CC1 ZINC000817373725 805094100 /nfs/dbraw/zinc/09/41/00/805094100.db2.gz XLEMYWCVMKTXHE-QMMMGPOBSA-N -1 0 302.356 -0.455 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc2c1OCC2 ZINC000817419724 805094336 /nfs/dbraw/zinc/09/43/36/805094336.db2.gz GDWZUKIERUCOCC-ZJUUUORDSA-N -1 0 313.331 -0.170 20 0 DBADRM COC(=O)c1[n-][nH]c(=O)c1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000817571164 805095393 /nfs/dbraw/zinc/09/53/93/805095393.db2.gz OCOUXHSPYQAJCH-JTQLQIEISA-N -1 0 319.273 -0.329 20 0 DBADRM Cc1c(Cl)c(C(=O)[N-]S(=O)(=O)N2CCOCC2)nn1C ZINC000817718542 805097324 /nfs/dbraw/zinc/09/73/24/805097324.db2.gz JLDSAJFAPAPAMH-UHFFFAOYSA-N -1 0 322.774 -0.311 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H](COC)[C@@H]1CCCOC1 ZINC000884448055 807050044 /nfs/dbraw/zinc/05/00/44/807050044.db2.gz QHMVVHXXOQYTKW-MNOVXSKESA-N -1 0 303.359 -0.205 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)C[C@H]2C=CCC2)c1[O-] ZINC001287737185 805107968 /nfs/dbraw/zinc/10/79/68/805107968.db2.gz KCIKSKDPLCBGAW-WDEREUQCSA-N -1 0 322.365 -0.013 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CCNS(C)(=O)=O ZINC000818308324 805110263 /nfs/dbraw/zinc/11/02/63/805110263.db2.gz CLVFETICTBFRIX-NSHDSACASA-N -1 0 308.356 -0.982 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CCC[C@@]1(COC)C(=O)[O-] ZINC000818309743 805110828 /nfs/dbraw/zinc/11/08/28/805110828.db2.gz DVIFLHMSQBVYQO-LLVKDONJSA-N -1 0 308.356 -0.982 20 0 DBADRM CCN1CCO[C@@H](C(=O)N2CCC[C@]2(COC)C(=O)[O-])C1 ZINC000818313087 805110917 /nfs/dbraw/zinc/11/09/17/805110917.db2.gz WXDFDPIBTSPEJT-RISCZKNCSA-N -1 0 300.355 -0.201 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)COC[C@@H]3CCCO3)C2)nn1 ZINC000818316448 805110961 /nfs/dbraw/zinc/11/09/61/805110961.db2.gz DXYDDLQGOKWHJI-QWRGUYRKSA-N -1 0 324.337 -0.055 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@H](O)C1CCOCC1 ZINC000818310670 805111156 /nfs/dbraw/zinc/11/11/56/805111156.db2.gz JUHCLIPKFJXLDF-RISCZKNCSA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)Cn3ccccc3=O)C2)nn1 ZINC000818321168 805111451 /nfs/dbraw/zinc/11/14/51/805111451.db2.gz UROQFWIOFFREJY-SNVBAGLBSA-N -1 0 317.305 -0.388 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCCS(C)(=O)=O)C(=O)[O-] ZINC000818656694 805115121 /nfs/dbraw/zinc/11/51/21/805115121.db2.gz IQBDHETZCMSGEG-VIFPVBQESA-N -1 0 322.383 -0.990 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)C(=O)[O-] ZINC000884478180 807051666 /nfs/dbraw/zinc/05/16/66/807051666.db2.gz SQIVDVIVKCIWCA-ZNSALQAWSA-N -1 0 310.350 -0.295 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])n1 ZINC000818658001 805116416 /nfs/dbraw/zinc/11/64/16/805116416.db2.gz NZWBNSPITXYTIO-QMMMGPOBSA-N -1 0 311.342 -0.598 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)N(C)CCC(=O)[O-])C2=O)n(C)n1 ZINC000818829643 805116469 /nfs/dbraw/zinc/11/64/69/805116469.db2.gz GDZXBJDWYSQUGF-SNVBAGLBSA-N -1 0 323.353 -0.050 20 0 DBADRM CCN1CC[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1=O ZINC000818657470 805116742 /nfs/dbraw/zinc/11/67/42/805116742.db2.gz GEZRURPKSARWPH-VIFPVBQESA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NCCC1(C)OCCO1)C(=O)[O-] ZINC000818657905 805116800 /nfs/dbraw/zinc/11/68/00/805116800.db2.gz ZXRBITDQULGKEK-UHFFFAOYSA-N -1 0 316.354 -0.127 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000818658472 805116824 /nfs/dbraw/zinc/11/68/24/805116824.db2.gz YWVZETNVGHOZJJ-AWEZNQCLSA-N -1 0 323.353 -0.454 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCCS2)CCO1 ZINC000884482149 807052094 /nfs/dbraw/zinc/05/20/94/807052094.db2.gz WWDRVVOUNIZTCX-UWVGGRQHSA-N -1 0 316.379 -0.300 20 0 DBADRM CC(C)c1nc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)c[nH]1 ZINC000819094467 805121446 /nfs/dbraw/zinc/12/14/46/805121446.db2.gz LCSIWSTZQWRVAY-LLVKDONJSA-N -1 0 303.340 -0.257 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000819094709 805121505 /nfs/dbraw/zinc/12/15/05/805121505.db2.gz PIXLRMMRUJZQQJ-ZDUSSCGKSA-N -1 0 313.331 -0.073 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCCOC2)cn1 ZINC000819107933 805122981 /nfs/dbraw/zinc/12/29/81/805122981.db2.gz RNZKYSIJKLJEEF-NSHDSACASA-N -1 0 303.340 -0.278 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]OCC(C)(C)O)C1=O ZINC000819541482 805129671 /nfs/dbraw/zinc/12/96/71/805129671.db2.gz ASQFPHAUAPWLPX-UHFFFAOYSA-N -1 0 301.343 -0.084 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cc3c(cn2)OCCO3)cn1 ZINC000819936841 805137959 /nfs/dbraw/zinc/13/79/59/805137959.db2.gz MVXFSKQDQAZXFO-UHFFFAOYSA-N -1 0 324.318 -0.295 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001287886631 805143042 /nfs/dbraw/zinc/14/30/42/805143042.db2.gz MZSKSBCLNMAASG-QPGUZKIZSA-N -1 0 323.353 -0.239 20 0 DBADRM C[C@H]1C(=O)Nc2cc(C(=O)Nn3c(=O)[n-][nH]c3=O)ccc2N1C ZINC000820288391 805151821 /nfs/dbraw/zinc/15/18/21/805151821.db2.gz KWEAPBJYXYXGNM-LURJTMIESA-N -1 0 318.293 -0.150 20 0 DBADRM O=C(CNC(=O)c1cc2ccccc2[nH]1)Nn1c(=O)[n-][nH]c1=O ZINC000820291324 805152702 /nfs/dbraw/zinc/15/27/02/805152702.db2.gz DXJXJBXUFIPABL-UHFFFAOYSA-N -1 0 316.277 -0.329 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc(N2CCNC2=O)cc1 ZINC000820291648 805153352 /nfs/dbraw/zinc/15/33/52/805153352.db2.gz JEGWTTFEDRXBGV-UHFFFAOYSA-N -1 0 304.266 -0.397 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)/C=C/[C@@H]1CCCO1 ZINC000820320546 805153428 /nfs/dbraw/zinc/15/34/28/805153428.db2.gz WQARWILIUYKWKZ-ZWNMCFTASA-N -1 0 307.368 -0.169 20 0 DBADRM NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cnsn1 ZINC000821095901 805172855 /nfs/dbraw/zinc/17/28/55/805172855.db2.gz BJUOVWLAGLVGQJ-UHFFFAOYSA-N -1 0 320.377 -0.014 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC000821598755 805186578 /nfs/dbraw/zinc/18/65/78/805186578.db2.gz QXLROEGTIBGLDE-UHFFFAOYSA-N -1 0 320.367 -0.698 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCC[C@@H]1CCOC1=O ZINC001288527002 805191126 /nfs/dbraw/zinc/19/11/26/805191126.db2.gz QDCIEVURZOFBLZ-SECBINFHSA-N -1 0 319.321 -0.469 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(CCO)C[C@@H]2C)cc1=O ZINC000822159696 805198294 /nfs/dbraw/zinc/19/82/94/805198294.db2.gz OZQFAMSPGHSTNX-ZDUSSCGKSA-N -1 0 324.425 -0.100 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CC(S(C)(=O)=O)C2)cc1=O ZINC000822089189 805198598 /nfs/dbraw/zinc/19/85/98/805198598.db2.gz INPVIQLVFBMGEN-UHFFFAOYSA-N -1 0 315.395 -0.370 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N[C@H](CO)[C@@H](C)O)c1 ZINC000822537293 805207227 /nfs/dbraw/zinc/20/72/27/805207227.db2.gz FPNMLUBIXQNENW-PHFRFRENSA-N -1 0 301.364 -0.339 20 0 DBADRM CCn1c(=O)[nH]c2cc(C(=O)NCC(=O)[N-]OC)ccc2c1=O ZINC001289429260 805220138 /nfs/dbraw/zinc/22/01/38/805220138.db2.gz ACWUVWZCKKUZMX-UHFFFAOYSA-N -1 0 320.305 -0.471 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1c(O)cccc1F ZINC000823131175 805224532 /nfs/dbraw/zinc/22/45/32/805224532.db2.gz CQVWRZITFGDZOU-UHFFFAOYSA-N -1 0 304.245 -0.058 20 0 DBADRM COC1(OC)CC(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001289871276 805235400 /nfs/dbraw/zinc/23/54/00/805235400.db2.gz RMOKERHCMGNPGS-UHFFFAOYSA-N -1 0 321.337 -0.414 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000823614168 805236937 /nfs/dbraw/zinc/23/69/37/805236937.db2.gz JOQPNMRZNQVYEC-UHFFFAOYSA-N -1 0 309.374 -0.163 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000823611885 805237109 /nfs/dbraw/zinc/23/71/09/805237109.db2.gz RHKRSAUVWKGKFC-PHIMTYICSA-N -1 0 311.390 -0.312 20 0 DBADRM CC(C)[C@H]1C[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC000824213910 805252124 /nfs/dbraw/zinc/25/21/24/805252124.db2.gz DHHCWJJOLRZQTI-VHSXEESVSA-N -1 0 320.357 -0.222 20 0 DBADRM CC(C)CC(=O)NCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001292460383 805274868 /nfs/dbraw/zinc/27/48/68/805274868.db2.gz ZOGHWUPFYZDXDT-UHFFFAOYSA-N -1 0 311.342 -0.506 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001292465810 805275112 /nfs/dbraw/zinc/27/51/12/805275112.db2.gz DLDJPNNDGUCDJD-SFYZADRCSA-N -1 0 309.326 -0.896 20 0 DBADRM CCCc1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n(C)n1 ZINC000825348740 805276996 /nfs/dbraw/zinc/27/69/96/805276996.db2.gz YUDIAAFDIYOHPF-UHFFFAOYSA-N -1 0 316.329 -0.217 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)Cc1noc(C)c1-c1nn[nH]n1 ZINC000825464887 805280099 /nfs/dbraw/zinc/28/00/99/805280099.db2.gz DYLFRYWYDYITIS-LURJTMIESA-N -1 0 307.314 -0.654 20 0 DBADRM COC1(C(=O)[N-]OCc2cccc(C)n2)CS(=O)(=O)C1 ZINC000825574247 805283806 /nfs/dbraw/zinc/28/38/06/805283806.db2.gz ZFSFSNHXVNVIOA-UHFFFAOYSA-N -1 0 300.336 -0.249 20 0 DBADRM CCc1cnccc1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825739502 805286141 /nfs/dbraw/zinc/28/61/41/805286141.db2.gz FCKXFDQAGJOCEJ-UHFFFAOYSA-N -1 0 313.325 -0.268 20 0 DBADRM CS[C@@H](C)C(=O)NCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001292528005 805286912 /nfs/dbraw/zinc/28/69/12/805286912.db2.gz FJTAWLDLNVQLJX-QMMMGPOBSA-N -1 0 323.378 -0.380 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)C1(NC(=O)[O-])CC1 ZINC000826075134 805291702 /nfs/dbraw/zinc/29/17/02/805291702.db2.gz UOQYSQKRMIGMIK-RKDXNWHRSA-N -1 0 319.383 -0.427 20 0 DBADRM CO[C@H]1CCC[C@@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000826146167 805301074 /nfs/dbraw/zinc/30/10/74/805301074.db2.gz RGNNEYQSAQPVGV-BDAKNGLRSA-N -1 0 306.330 -0.611 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC(F)(F)C2)n(C)c1=O ZINC000826355739 805308444 /nfs/dbraw/zinc/30/84/44/805308444.db2.gz LPGMKJOFLOYCOZ-UHFFFAOYSA-N -1 0 313.268 -0.891 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000826560547 805315558 /nfs/dbraw/zinc/31/55/58/805315558.db2.gz SWTDTQRBSDOGSA-WDEREUQCSA-N -1 0 316.379 -0.096 20 0 DBADRM CC[S@@](=O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000827121006 805328980 /nfs/dbraw/zinc/32/89/80/805328980.db2.gz WLWQVQPDHVKCMK-LJQANCHMSA-N -1 0 320.392 -0.462 20 0 DBADRM O=C(NCCNC(=O)[C@@H]1C[C@H]1C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001292802369 805342887 /nfs/dbraw/zinc/34/28/87/805342887.db2.gz ZTSHNAPVPYYCBU-JGVFFNPUSA-N -1 0 307.310 -0.825 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)N1CC[C@@H](O)[C@@H](O)C1 ZINC000827598422 805345546 /nfs/dbraw/zinc/34/55/46/805345546.db2.gz BZIGPOWMYICFQA-RITPCOANSA-N -1 0 307.422 -0.127 20 0 DBADRM O=C(NCCNC(=O)C1(C2CC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001292876058 805352664 /nfs/dbraw/zinc/35/26/64/805352664.db2.gz CZVPAPASKZLGKB-UHFFFAOYSA-N -1 0 307.310 -0.681 20 0 DBADRM O=C(NCCNC(=O)[C@@H]1CCCC12CC2)c1n[nH]c(=O)[n-]c1=O ZINC001292925569 805359220 /nfs/dbraw/zinc/35/92/20/805359220.db2.gz JSWLKARXGRDTMB-QMMMGPOBSA-N -1 0 321.337 -0.291 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)CCC[C@]1(C)NC(=O)NC1=O ZINC000828297749 805371652 /nfs/dbraw/zinc/37/16/52/805371652.db2.gz HJZWTONNUHDLBK-ZDUSSCGKSA-N -1 0 314.342 -0.129 20 0 DBADRM CC[C@H]1CCC[C@@H]1C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001293012714 805372963 /nfs/dbraw/zinc/37/29/63/805372963.db2.gz JLYWZCDGYDEROW-IUCAKERBSA-N -1 0 323.353 -0.045 20 0 DBADRM O=C(NCCCNC(=O)C1CC1)c1c[n-]n2c1nccc2=O ZINC001293092239 805382967 /nfs/dbraw/zinc/38/29/67/805382967.db2.gz HXOIUZZAPKVEML-UHFFFAOYSA-N -1 0 303.322 -0.331 20 0 DBADRM CS[C@H](C)C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001293163196 805391738 /nfs/dbraw/zinc/39/17/38/805391738.db2.gz SCSFXFMHXYWNLZ-ZCFIWIBFSA-N -1 0 315.355 -0.730 20 0 DBADRM C[C@H]1CC[C@H](C(=O)NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001293311190 805411731 /nfs/dbraw/zinc/41/17/31/805411731.db2.gz AHRUMCZKHVTQLZ-IUCAKERBSA-N -1 0 323.353 -0.045 20 0 DBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1nnn(C)n1 ZINC001293325186 805412936 /nfs/dbraw/zinc/41/29/36/805412936.db2.gz QFVIOYHQVBNGNI-UHFFFAOYSA-N -1 0 302.298 -0.495 20 0 DBADRM Cn1nccc1S(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000830057797 805418076 /nfs/dbraw/zinc/41/80/76/805418076.db2.gz GRTCFHWQOCWMPV-JOYOIKCWSA-N -1 0 315.351 -0.468 20 0 DBADRM O=C([O-])[C@]12CN(S(=O)(=O)C[C@@H]3CCOC3)C[C@H]1COCC2 ZINC000830057666 805418151 /nfs/dbraw/zinc/41/81/51/805418151.db2.gz DNKLYYNETWWLPE-NTZNESFSSA-N -1 0 319.379 -0.224 20 0 DBADRM CON(C)C(=O)[C@H](CCSC)NC(=O)c1cc(=O)n(C)[n-]1 ZINC000830405692 805432383 /nfs/dbraw/zinc/43/23/83/805432383.db2.gz IBNYNGXHFVKIDL-QMMMGPOBSA-N -1 0 316.383 -0.003 20 0 DBADRM CC(C)=CC(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001293601807 805436464 /nfs/dbraw/zinc/43/64/64/805436464.db2.gz SIDQWZLTBPVJAW-SECBINFHSA-N -1 0 309.326 -0.627 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCNc1ccccn1 ZINC000830747602 805439341 /nfs/dbraw/zinc/43/93/41/805439341.db2.gz UQSUXOHSQDRWNL-UHFFFAOYSA-N -1 0 302.356 -0.266 20 0 DBADRM C/C=C(\C)C(=O)NC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001293788656 805445168 /nfs/dbraw/zinc/44/51/68/805445168.db2.gz SCLAIPAPIMVKPJ-YCRREMRBSA-N -1 0 323.353 -0.237 20 0 DBADRM C/C=C(/C)C(=O)N[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001293888150 805449160 /nfs/dbraw/zinc/44/91/60/805449160.db2.gz DSIDELVZYQKBLO-BNFOFFDWSA-N -1 0 323.353 -0.237 20 0 DBADRM Cn1nc(I)cc1C(=O)Nc1nnn[n-]1 ZINC001293901504 805449802 /nfs/dbraw/zinc/44/98/02/805449802.db2.gz WBFZGVRFHXDHPI-UHFFFAOYSA-N -1 0 319.066 -0.210 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000831261076 805450147 /nfs/dbraw/zinc/45/01/47/805450147.db2.gz VBCBZAUKXKJGSG-LURJTMIESA-N -1 0 311.298 -0.410 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1c[nH]nc1I ZINC000832745915 805489950 /nfs/dbraw/zinc/48/99/50/805489950.db2.gz SXSMTZBFTCRIPB-UHFFFAOYSA-N -1 0 324.078 -0.578 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000832741107 805490206 /nfs/dbraw/zinc/49/02/06/805490206.db2.gz KMEXWSSFXMSHSG-UHFFFAOYSA-N -1 0 321.333 -0.434 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC000832766622 805490231 /nfs/dbraw/zinc/49/02/31/805490231.db2.gz LLGNCTZOKJJCGA-UHFFFAOYSA-N -1 0 306.322 -0.128 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000832746057 805490246 /nfs/dbraw/zinc/49/02/46/805490246.db2.gz WGGZUKKVNOSAEO-JGVFFNPUSA-N -1 0 314.260 -0.236 20 0 DBADRM NC(=O)C[C@@H]1COCCN1CC(=O)[N-]OCc1ccccc1 ZINC000832751051 805490485 /nfs/dbraw/zinc/49/04/85/805490485.db2.gz KZSCDLJWVRWDKZ-CYBMUJFWSA-N -1 0 307.350 -0.189 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@]1(c2ccc(OC)cc2)C[C@H](O)C1 ZINC000832745361 805490649 /nfs/dbraw/zinc/49/06/49/805490649.db2.gz OQGXCDJMLSUWPW-FUKZOUPISA-N -1 0 308.334 -0.119 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(CN2CCOCC2)cn1 ZINC000832752592 805490742 /nfs/dbraw/zinc/49/07/42/805490742.db2.gz AQKUDGDVIASMBU-UHFFFAOYSA-N -1 0 308.338 -0.679 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1c(Br)nc2n1CCC2 ZINC000832749401 805490854 /nfs/dbraw/zinc/49/08/54/805490854.db2.gz UWEDNSKLUSDCJW-UHFFFAOYSA-N -1 0 317.143 -0.001 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](c1ccccc1)N1CCN(C)CC1 ZINC000832769921 805491555 /nfs/dbraw/zinc/49/15/55/805491555.db2.gz PEOCLOZUCZIVNV-HNNXBMFYSA-N -1 0 320.393 -0.231 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cn1cc(Br)ccc1=O ZINC000832773277 805491896 /nfs/dbraw/zinc/49/18/96/805491896.db2.gz IMUWNWOYAHTJTP-UHFFFAOYSA-N -1 0 318.127 -0.595 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(N2CCNC2=O)c(C)c1 ZINC000832770191 805491905 /nfs/dbraw/zinc/49/19/05/805491905.db2.gz UAZDYGFNJDYDSB-UHFFFAOYSA-N -1 0 306.322 -0.068 20 0 DBADRM O=C(NCCCN(C(=O)C1CC1)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001294620028 805495588 /nfs/dbraw/zinc/49/55/88/805495588.db2.gz YYRLWEIVQROURM-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM Cn1cc(N2CCN(CN3C[C@@H](NC(=O)[O-])CC3=O)CC2)cn1 ZINC000833951963 805496318 /nfs/dbraw/zinc/49/63/18/805496318.db2.gz YVJLTWZPXMAVHI-NSHDSACASA-N -1 0 322.369 -0.632 20 0 DBADRM CCCO[N-]C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000834350785 805498578 /nfs/dbraw/zinc/49/85/78/805498578.db2.gz MADYCMKNJQBLDO-UHFFFAOYSA-N -1 0 319.314 -0.131 20 0 DBADRM CCCO[N-]C(=O)C(=O)N1C[C@H](C(=O)NC)Oc2ccccc21 ZINC000834347563 805498696 /nfs/dbraw/zinc/49/86/96/805498696.db2.gz PRQZWCIJUGLYLY-GFCCVEGCSA-N -1 0 321.333 -0.016 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)c2c[n-]n3c2nccc3=O)cn1 ZINC001294720228 805502270 /nfs/dbraw/zinc/50/22/70/805502270.db2.gz KGOAOBOWJUTXBV-JTQLQIEISA-N -1 0 302.294 -0.781 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1C[C@H]1C(F)(F)F ZINC000835184132 805519505 /nfs/dbraw/zinc/51/95/05/805519505.db2.gz DYFORKHREUKDSF-RNFRBKRXSA-N -1 0 302.274 -0.122 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc2n1CCCC2 ZINC000835294421 805520743 /nfs/dbraw/zinc/52/07/43/805520743.db2.gz CLZWTQZZMBFFKE-MRVPVSSYSA-N -1 0 315.351 -0.160 20 0 DBADRM CC1=C(C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@@H](C)n2ncnc2N1C ZINC000836716642 805528241 /nfs/dbraw/zinc/52/82/41/805528241.db2.gz ZQKSHGQFVWDWHD-ZJUUUORDSA-N -1 0 321.337 -0.125 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000836902734 805529439 /nfs/dbraw/zinc/52/94/39/805529439.db2.gz UITXCKDKOSXHQG-GHMZBOCLSA-N -1 0 308.400 -0.135 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)[N-]O[C@@H](CO)C(C)C ZINC000836898285 805529823 /nfs/dbraw/zinc/52/98/23/805529823.db2.gz JKPXAOUQGPNPMC-WFASDCNBSA-N -1 0 312.366 -0.028 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)[N-]O[C@@H](CO)C(C)C)c(=O)c1 ZINC000836901109 805529970 /nfs/dbraw/zinc/52/99/70/805529970.db2.gz VQBGIEQLZZFIRN-SWLSCSKDSA-N -1 0 312.366 -0.028 20 0 DBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1c[nH]nc1Cl)C(=O)[O-] ZINC000837287877 805532149 /nfs/dbraw/zinc/53/21/49/805532149.db2.gz JYELBWQKOZIELZ-CAHLUQPWSA-N -1 0 311.747 -0.044 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])cn1C ZINC000837296384 805532345 /nfs/dbraw/zinc/53/23/45/805532345.db2.gz NWHFFEBKIJOXHC-SSDOTTSWSA-N -1 0 308.287 -0.487 20 0 DBADRM CCOC(=O)C(C)(C)CC(=O)[N-]S(=O)(=O)CC(=O)OC ZINC000838797056 805545800 /nfs/dbraw/zinc/54/58/00/805545800.db2.gz LDQZLMDHNZRQOA-UHFFFAOYSA-N -1 0 309.340 -0.415 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C[C@H]1CSCCS1 ZINC000838801800 805545866 /nfs/dbraw/zinc/54/58/66/805545866.db2.gz NJNJAUMEERQYSW-ZETCQYMHSA-N -1 0 313.422 -0.156 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)COCc1ccccc1 ZINC000838804247 805545903 /nfs/dbraw/zinc/54/59/03/805545903.db2.gz RUQJMJVHRBNVTF-UHFFFAOYSA-N -1 0 301.320 -0.178 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)s1 ZINC000838802288 805546019 /nfs/dbraw/zinc/54/60/19/805546019.db2.gz FBLPGYGJQVQIJP-UHFFFAOYSA-N -1 0 321.332 -0.233 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCCOc1cccnc1 ZINC000838802408 805546092 /nfs/dbraw/zinc/54/60/92/805546092.db2.gz WIELJVKBVNFKTG-UHFFFAOYSA-N -1 0 316.335 -0.140 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccn1 ZINC000838842807 805547085 /nfs/dbraw/zinc/54/70/85/805547085.db2.gz SIZHJOUMKQFCKD-SECBINFHSA-N -1 0 316.335 -0.142 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CN1CCCCCCC1=O ZINC000838806890 805547125 /nfs/dbraw/zinc/54/71/25/805547125.db2.gz MISBNMPLRCCXIF-UHFFFAOYSA-N -1 0 320.367 -0.602 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCCNC(=O)OCC ZINC000838845483 805547163 /nfs/dbraw/zinc/54/71/63/805547163.db2.gz RAHMYJKWMZMBHN-UHFFFAOYSA-N -1 0 324.355 -0.478 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cc(C(=O)OC)co1 ZINC000838846231 805547199 /nfs/dbraw/zinc/54/71/99/805547199.db2.gz HGYCPUPYKVNSLR-UHFFFAOYSA-N -1 0 319.291 -0.311 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(C)=O ZINC000838889105 805548030 /nfs/dbraw/zinc/54/80/30/805548030.db2.gz MKEIBUCKWNNQRE-SCZZXKLOSA-N -1 0 322.383 -0.311 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1ncn(C)n1 ZINC000838893394 805548117 /nfs/dbraw/zinc/54/81/17/805548117.db2.gz HYDFJGPFMXGITG-MRVPVSSYSA-N -1 0 318.355 -0.394 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H]1COCCO1 ZINC000838889134 805548581 /nfs/dbraw/zinc/54/85/81/805548581.db2.gz NCEWRLQLKJJQBP-VHSXEESVSA-N -1 0 323.367 -0.420 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccn1C ZINC000839063619 805549194 /nfs/dbraw/zinc/54/91/94/805549194.db2.gz ARDVUFWUUJAIMV-SNVBAGLBSA-N -1 0 301.368 -0.449 20 0 DBADRM Cn1cccc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000839063568 805549702 /nfs/dbraw/zinc/54/97/02/805549702.db2.gz POJOBIOKGKPKML-VIFPVBQESA-N -1 0 311.363 -0.159 20 0 DBADRM Cn1cnc(C(=O)[N-]N2C(=O)N[C@](C)(c3ccccc3)C2=O)n1 ZINC001324570533 806987147 /nfs/dbraw/zinc/98/71/47/806987147.db2.gz HSAGUVUHZWTAJE-CQSZACIVSA-N -1 0 314.305 -0.073 20 0 DBADRM Cn1cnc(C(=O)[N-]N2C(=O)N[C@@](C)(c3ccccc3)C2=O)n1 ZINC001324570532 806987227 /nfs/dbraw/zinc/98/72/27/806987227.db2.gz HSAGUVUHZWTAJE-AWEZNQCLSA-N -1 0 314.305 -0.073 20 0 DBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)[N-]OC2CCC2)cc1 ZINC001324674447 806999001 /nfs/dbraw/zinc/99/90/01/806999001.db2.gz WRIYWLYRFLHEDH-UHFFFAOYSA-N -1 0 313.335 -0.127 20 0 DBADRM Cc1cc(C[C@H](C)NC(=O)C(=O)[N-]OC2CCOCC2)[nH]n1 ZINC001324692290 807000150 /nfs/dbraw/zinc/00/01/50/807000150.db2.gz BPUGVGFNIPNNTP-VIFPVBQESA-N -1 0 310.354 -0.008 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC001324885567 807013857 /nfs/dbraw/zinc/01/38/57/807013857.db2.gz FTRPUIZXIPGJIY-UHFFFAOYSA-N -1 0 324.337 -0.449 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])CC(=O)N(C)CC(F)(F)F ZINC000883414061 807013977 /nfs/dbraw/zinc/01/39/77/807013977.db2.gz KIJULMBZJAGSMR-UHFFFAOYSA-N -1 0 314.260 -0.043 20 0 DBADRM O=C(NCc1ncnn1-c1ccccc1)c1n[nH]c(=O)[n-]c1=O ZINC001324955935 807018770 /nfs/dbraw/zinc/01/87/70/807018770.db2.gz FELDNZLNMXSDIL-UHFFFAOYSA-N -1 0 313.277 -0.207 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(F)CC2)C1 ZINC000883635912 807019116 /nfs/dbraw/zinc/01/91/16/807019116.db2.gz DIRVMRIIRANVRK-AWEZNQCLSA-N -1 0 316.329 -0.103 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CF)C2)CCO1 ZINC000883635236 807019159 /nfs/dbraw/zinc/01/91/59/807019159.db2.gz NJDDFOPDKCIZQA-UWVGGRQHSA-N -1 0 302.302 -0.494 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000883637003 807019202 /nfs/dbraw/zinc/01/92/02/807019202.db2.gz FLNWBHCNTJYHNS-GMTAPVOTSA-N -1 0 316.354 -0.572 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000883637751 807019649 /nfs/dbraw/zinc/01/96/49/807019649.db2.gz VPDNHGRYNRCXPJ-NXEZZACHSA-N -1 0 302.327 -0.818 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)NC[C@H](C)CC(=O)[O-] ZINC001324966692 807020695 /nfs/dbraw/zinc/02/06/95/807020695.db2.gz HBCSYCXMIILWHK-SECBINFHSA-N -1 0 301.343 -0.754 20 0 DBADRM CCc1nncn1CCNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001324973186 807021476 /nfs/dbraw/zinc/02/14/76/807021476.db2.gz IGMJDVUFMXGHLR-UHFFFAOYSA-N -1 0 323.275 -0.043 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CC(F)(F)C(F)(F)C1 ZINC000884477073 807050730 /nfs/dbraw/zinc/05/07/30/807050730.db2.gz LFEYMUVELYNTDQ-UHFFFAOYSA-N -1 0 316.207 -0.683 20 0 DBADRM C=C/C(C)=C\CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001325265619 807056509 /nfs/dbraw/zinc/05/65/09/807056509.db2.gz UVONFBLUOKLLRH-WMZJFQQLSA-N -1 0 307.354 -0.304 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)/C=C/c3cnccn3)C2)nn1 ZINC001325302200 807059248 /nfs/dbraw/zinc/05/92/48/807059248.db2.gz CWZKHUANRRCEJJ-OWOJBTEDSA-N -1 0 300.278 -0.137 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC001325549599 807079895 /nfs/dbraw/zinc/07/98/95/807079895.db2.gz DCOFFSIYBOAMBZ-UHFFFAOYSA-N -1 0 308.338 -0.369 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC001325655016 807088753 /nfs/dbraw/zinc/08/87/53/807088753.db2.gz QEPDRRWLOPYQCC-ZTNVNUCQSA-N -1 0 312.244 -0.605 20 0 DBADRM O=C(c1c([O-])cccc1F)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000886184766 807118094 /nfs/dbraw/zinc/11/80/94/807118094.db2.gz JRZJMHVKVVWYDM-MRVPVSSYSA-N -1 0 315.326 -0.494 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC[C@H]1C(=O)[O-] ZINC000887051958 807146448 /nfs/dbraw/zinc/14/64/48/807146448.db2.gz FJEBAOCMYPTFOW-MLGHIDQZSA-N -1 0 324.377 -0.215 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2 ZINC000887057466 807146604 /nfs/dbraw/zinc/14/66/04/807146604.db2.gz HBXYVEJDSILFKO-VHSXEESVSA-N -1 0 311.338 -0.859 20 0 DBADRM COc1cc(F)c(NC(=O)C(=O)[N-]OCC(N)=O)cc1OC ZINC001326118061 807147405 /nfs/dbraw/zinc/14/74/05/807147405.db2.gz UYZHRSFBDHIKQM-UHFFFAOYSA-N -1 0 315.257 -0.686 20 0 DBADRM CC(C)(C)c1nsc(NC(=O)C(=O)[N-]OCC(N)=O)n1 ZINC001326118375 807147588 /nfs/dbraw/zinc/14/75/88/807147588.db2.gz YZHFAVUIIQAYEE-UHFFFAOYSA-N -1 0 301.328 -0.693 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 ZINC001326117610 807147664 /nfs/dbraw/zinc/14/76/64/807147664.db2.gz RMUFIWHNMPPQGA-UHFFFAOYSA-N -1 0 323.305 -0.404 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000887301368 807153864 /nfs/dbraw/zinc/15/38/64/807153864.db2.gz WIEYDAROEMGAAE-WVWOOGAGSA-N -1 0 322.361 -0.174 20 0 DBADRM CC(C)(O)C1CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1 ZINC001326198393 807160110 /nfs/dbraw/zinc/16/01/10/807160110.db2.gz CFFMDVLUBKRLLV-UHFFFAOYSA-N -1 0 312.366 -0.071 20 0 DBADRM Cn1nccc1NC(=O)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001326223295 807161678 /nfs/dbraw/zinc/16/16/78/807161678.db2.gz WHOXZNDELITTSL-UHFFFAOYSA-N -1 0 324.337 -0.159 20 0 DBADRM CN(CC(=O)[N-]OCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC001326242793 807163221 /nfs/dbraw/zinc/16/32/21/807163221.db2.gz XFOJTRCRJATHEA-GFCCVEGCSA-N -1 0 313.379 -0.252 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)C(F)F ZINC001326314368 807169751 /nfs/dbraw/zinc/16/97/51/807169751.db2.gz JIFJXLMPGZUMDP-KNVOCYPGSA-N -1 0 322.289 -0.394 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1ccc(-n2cncn2)nc1 ZINC001326453371 807182926 /nfs/dbraw/zinc/18/29/26/807182926.db2.gz OQXMJOOXXDHFIS-UHFFFAOYSA-N -1 0 319.325 -0.471 20 0 DBADRM O=C(c1ccc2nonc2c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001326495829 807187940 /nfs/dbraw/zinc/18/79/40/807187940.db2.gz CJQCXTLYFSELGG-SNVBAGLBSA-N -1 0 301.266 -0.050 20 0 DBADRM Cn1cc(C(=O)[N-]OCCOc2ccccc2)c(=O)n(C)c1=O ZINC000889448247 807195857 /nfs/dbraw/zinc/19/58/57/807195857.db2.gz WQNZGOSLNHXILS-UHFFFAOYSA-N -1 0 319.317 -0.176 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[C@H]1CCO[C@H](C)C1 ZINC001326681964 807204728 /nfs/dbraw/zinc/20/47/28/807204728.db2.gz NYOPVYKJJPJBGO-MNOVXSKESA-N -1 0 315.370 -0.508 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1nccn1C(F)F)C(=O)[O-] ZINC001326807369 807215093 /nfs/dbraw/zinc/21/50/93/807215093.db2.gz NEHALRXASDDGKH-ZCFIWIBFSA-N -1 0 304.253 -0.269 20 0 DBADRM COCCOCCN1CCN(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC001326807529 807215194 /nfs/dbraw/zinc/21/51/94/807215194.db2.gz PEIZGSGJBZRVLV-LBPRGKRZSA-N -1 0 317.386 -0.303 20 0 DBADRM C[C@H](CNC(=O)C(=O)NC[C@@H](c1ccco1)N(C)C)C(=O)[O-] ZINC001326848208 807218454 /nfs/dbraw/zinc/21/84/54/807218454.db2.gz XTEJHXSHPDSQPU-ZJUUUORDSA-N -1 0 311.338 -0.165 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@H](C)C(=O)OC(C)(C)C ZINC001326887994 807222414 /nfs/dbraw/zinc/22/24/14/807222414.db2.gz KXTIASGAAKUMPU-VIFPVBQESA-N -1 0 304.343 -0.225 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1CCCN(CCF)C1 ZINC000898491390 807223472 /nfs/dbraw/zinc/22/34/72/807223472.db2.gz MHUNGLSJZYKZPI-JTQLQIEISA-N -1 0 322.344 -0.379 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cc(C)cc(OC)c1 ZINC001326985791 807228338 /nfs/dbraw/zinc/22/83/38/807228338.db2.gz ZNGKDVMIGZRGLW-UHFFFAOYSA-N -1 0 323.349 -0.196 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2CCN(CCO)CC2)c1 ZINC001326991485 807230099 /nfs/dbraw/zinc/23/00/99/807230099.db2.gz PLYMKHVOMHDHQN-UHFFFAOYSA-N -1 0 321.333 -0.540 20 0 DBADRM COC[C@H](NC(=O)C(=O)[N-]OCCSC)[C@@H]1CCCOC1 ZINC000898749801 807235746 /nfs/dbraw/zinc/23/57/46/807235746.db2.gz LLBUBGZSIJBQEA-MNOVXSKESA-N -1 0 320.411 -0.045 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CCOC)C1CCCC1 ZINC001327039636 807236232 /nfs/dbraw/zinc/23/62/32/807236232.db2.gz XWXFTGAIYJPEFL-UHFFFAOYSA-N -1 0 315.370 -0.412 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=NCC(=O)N1C ZINC000898774826 807237336 /nfs/dbraw/zinc/23/73/36/807237336.db2.gz KWQGEAAGNBNYRJ-ZETCQYMHSA-N -1 0 308.260 -0.366 20 0 DBADRM Cc1ccn2ncc(C(=O)[N-]N3C(=O)[C@@H](C)N(C)C3=O)c2n1 ZINC000899032426 807244212 /nfs/dbraw/zinc/24/42/12/807244212.db2.gz TWWWSENODPNOSI-MRVPVSSYSA-N -1 0 302.294 -0.035 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cnn(C)c1C(F)F ZINC001327324958 807262643 /nfs/dbraw/zinc/26/26/43/807262643.db2.gz RTKDGUKKIWYTOJ-UHFFFAOYSA-N -1 0 319.268 -0.520 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCCOCC2)CC[C@H]1C(=O)[O-] ZINC000899566418 807263074 /nfs/dbraw/zinc/26/30/74/807263074.db2.gz RQQAKBPVYIUDNL-GHMZBOCLSA-N -1 0 306.384 -0.004 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)N2CCCOCC2)C1 ZINC000899555754 807263514 /nfs/dbraw/zinc/26/35/14/807263514.db2.gz ULENZDOORBNIQZ-GHMZBOCLSA-N -1 0 306.384 -0.004 20 0 DBADRM CCN([C@@H](C)C(=O)[O-])S(=O)(=O)CCCN1CCOCC1 ZINC000899564872 807263618 /nfs/dbraw/zinc/26/36/18/807263618.db2.gz ROBKWVDLRIHKBT-NSHDSACASA-N -1 0 308.400 -0.167 20 0 DBADRM CN(C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000899938608 807277805 /nfs/dbraw/zinc/27/78/05/807277805.db2.gz SMVCIOSCNKUKRU-AXTSPUMRSA-N -1 0 302.352 -0.512 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000899938788 807278129 /nfs/dbraw/zinc/27/81/29/807278129.db2.gz FGSHVIGSGNBUJI-URLYPYJESA-N -1 0 322.383 -0.912 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC001327424204 807280680 /nfs/dbraw/zinc/28/06/80/807280680.db2.gz BFBFCTWSFBUCKJ-SECBINFHSA-N -1 0 322.383 -0.847 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N[C@H]2CCCOC2)n1 ZINC001327481703 807289250 /nfs/dbraw/zinc/28/92/50/807289250.db2.gz YKYYRHDUGTZRIN-VIFPVBQESA-N -1 0 324.337 -0.064 20 0 DBADRM COC[C@H](CCO)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001327478499 807289336 /nfs/dbraw/zinc/28/93/36/807289336.db2.gz HFNZQIQRRXMWPP-QMMMGPOBSA-N -1 0 311.294 -0.768 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCOCC1CCCC1 ZINC001327547522 807301144 /nfs/dbraw/zinc/30/11/44/807301144.db2.gz JRWVLQQVERKPHC-UHFFFAOYSA-N -1 0 315.370 -0.507 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001327591086 807309052 /nfs/dbraw/zinc/30/90/52/807309052.db2.gz BYNGESPKCPDDLW-SMDDNHRTSA-N -1 0 300.355 -0.201 20 0 DBADRM Cc1cc(NC(=O)C(=O)[N-]OCC(N)=O)cnc1C(F)(F)F ZINC001327597323 807310459 /nfs/dbraw/zinc/31/04/59/807310459.db2.gz WJRUDZGMFIZVKV-UHFFFAOYSA-N -1 0 320.227 -0.120 20 0 DBADRM COC[C@H](C)n1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])n1 ZINC001327680835 807322698 /nfs/dbraw/zinc/32/26/98/807322698.db2.gz SWKKERFJNLZBRL-BDAKNGLRSA-N -1 0 312.326 -0.134 20 0 DBADRM COC[C@@H](C)n1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])n1 ZINC001327680837 807322766 /nfs/dbraw/zinc/32/27/66/807322766.db2.gz SWKKERFJNLZBRL-DTWKUNHWSA-N -1 0 312.326 -0.134 20 0 DBADRM C[C@H](O)[C@@H]1CCN(c2cc(N3CCOC[C@@H]3C(=O)[O-])ncn2)C1 ZINC000900942726 807334854 /nfs/dbraw/zinc/33/48/54/807334854.db2.gz CEMDXGIEPNHFDI-QJPTWQEYSA-N -1 0 322.365 -0.027 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC001327806460 807339878 /nfs/dbraw/zinc/33/98/78/807339878.db2.gz UONMXBZXMWJXQV-UHFFFAOYSA-N -1 0 305.290 -0.498 20 0 DBADRM CC(C)(C)n1nccc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001327806446 807339994 /nfs/dbraw/zinc/33/99/94/807339994.db2.gz UJGMAGADKVIJIZ-CYBMUJFWSA-N -1 0 312.326 -0.472 20 0 DBADRM C[C@@H](C(=O)[N-]S(=O)(=O)C1CCCC1)N1CCNCC1=O ZINC000901032756 807342351 /nfs/dbraw/zinc/34/23/51/807342351.db2.gz CVFDSDAMLSRWIR-VIFPVBQESA-N -1 0 303.384 -0.805 20 0 DBADRM O=C([O-])CN1CC[C@H](N2C(=O)CN(C3CCCC3)C2=O)C1=O ZINC001327952001 807360500 /nfs/dbraw/zinc/36/05/00/807360500.db2.gz PREUTOWGKUEFTI-JTQLQIEISA-N -1 0 309.322 -0.121 20 0 DBADRM CON1CCC(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])CC1 ZINC000901491160 807364464 /nfs/dbraw/zinc/36/44/64/807364464.db2.gz SMFKYPHGZVGRJF-SNVBAGLBSA-N -1 0 315.370 -0.302 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@H]1CNC(=O)c2ccccc21 ZINC000901572686 807364592 /nfs/dbraw/zinc/36/45/92/807364592.db2.gz RELRENXMALGMQU-NWDGAFQWSA-N -1 0 304.302 -0.174 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)CCO1 ZINC000901446990 807364964 /nfs/dbraw/zinc/36/49/64/807364964.db2.gz HKVIYEKZVRFVGP-GJMOJQLCSA-N -1 0 324.255 -0.387 20 0 DBADRM COC[C@@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)C[C@@H](C)O1 ZINC000901619251 807365252 /nfs/dbraw/zinc/36/52/52/807365252.db2.gz SHTNQPVLEVMWAN-MNOVXSKESA-N -1 0 324.333 -0.191 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000901616459 807365478 /nfs/dbraw/zinc/36/54/78/807365478.db2.gz FGKRFCIRLGYLLV-NKWVEPMBSA-N -1 0 312.244 -0.245 20 0 DBADRM CCN(CC)C(=O)N1CCN(C(=O)[C@@H](OC)C(=O)[O-])CC1 ZINC000901772931 807366132 /nfs/dbraw/zinc/36/61/32/807366132.db2.gz BLRTZYLOTGFIGE-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCO[C@H](C(F)(F)F)C2)nn1 ZINC000901776489 807366189 /nfs/dbraw/zinc/36/61/89/807366189.db2.gz XAJDZSFEXYBNFO-ZETCQYMHSA-N -1 0 308.216 -0.234 20 0 DBADRM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@H](OC)C(=O)[O-])CC2 ZINC000901804914 807366289 /nfs/dbraw/zinc/36/62/89/807366289.db2.gz HQXYBTXQLUQESC-GMTAPVOTSA-N -1 0 301.339 -0.136 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CCN3C(=O)NC[C@@H]3C2)CO1 ZINC000901846994 807366341 /nfs/dbraw/zinc/36/63/41/807366341.db2.gz DWZKSLDPTFTLLO-HBNTYKKESA-N -1 0 311.338 -0.508 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2CCN3C(=O)NC[C@@H]3C2)CO1 ZINC000901846993 807366365 /nfs/dbraw/zinc/36/63/65/807366365.db2.gz DWZKSLDPTFTLLO-GMTAPVOTSA-N -1 0 311.338 -0.508 20 0 DBADRM CCCN(CC(=O)N(C)C)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC000901818068 807366508 /nfs/dbraw/zinc/36/65/08/807366508.db2.gz GQZPMRFMLOGINI-UHFFFAOYSA-N -1 0 323.349 -0.127 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)C1 ZINC000901992445 807367013 /nfs/dbraw/zinc/36/70/13/807367013.db2.gz JUYWPWGHGIYTLA-JBLDHEPKSA-N -1 0 310.350 -0.319 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)c2c(C(=O)[O-])cnn2C)CC1 ZINC000901914309 807367081 /nfs/dbraw/zinc/36/70/81/807367081.db2.gz HJZFGEZWZHKBRF-UHFFFAOYSA-N -1 0 309.326 -0.442 20 0 DBADRM Cn1cc(N2CCN(C(=O)c3c(C(=O)[O-])cnn3C)CC2)cn1 ZINC000901925401 807367109 /nfs/dbraw/zinc/36/71/09/807367109.db2.gz YSOORGKIGGWGQR-UHFFFAOYSA-N -1 0 318.337 -0.186 20 0 DBADRM CN1CCN(c2ncc(CN3CCOC[C@@H]3C(=O)[O-])cn2)CC1 ZINC000901988095 807367312 /nfs/dbraw/zinc/36/73/12/807367312.db2.gz LNLYHMVZZGXURS-CYBMUJFWSA-N -1 0 321.381 -0.486 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCN1S(C)(=O)=O ZINC000902069340 807367708 /nfs/dbraw/zinc/36/77/08/807367708.db2.gz CBYAJDVMIOIKNU-OPRDCNLKSA-N -1 0 304.368 -0.411 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000902059953 807368206 /nfs/dbraw/zinc/36/82/06/807368206.db2.gz FKAGRQDFQTZOQF-ROEFSKTCSA-N -1 0 312.347 -0.407 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000902146732 807369120 /nfs/dbraw/zinc/36/91/20/807369120.db2.gz HNQXYAZRVLBUGE-GHMZBOCLSA-N -1 0 316.379 -0.266 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)/C=C2\SCC(=O)N2C)C1 ZINC000902305087 807371663 /nfs/dbraw/zinc/37/16/63/807371663.db2.gz PNJYJRFICISZSN-ZRVMKQEGSA-N -1 0 314.363 -0.017 20 0 DBADRM CCOC1CC2(C[C@H]2C(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC000902772903 807381713 /nfs/dbraw/zinc/38/17/13/807381713.db2.gz LLCFREWFXKZNFH-VTWZXRTESA-N -1 0 310.350 -0.053 20 0 DBADRM CCO[C@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)[C@@H]1CCOC1 ZINC000902773689 807381922 /nfs/dbraw/zinc/38/19/22/807381922.db2.gz WIOZBRCXFIPTOE-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@@H](CN1c2c(cnn2C)C([O-])=CS1(=O)=O)OC ZINC000902833562 807382693 /nfs/dbraw/zinc/38/26/93/807382693.db2.gz GZGJQBKSCBSCMR-MRVPVSSYSA-N -1 0 303.340 -0.586 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1=O ZINC001328143721 807384397 /nfs/dbraw/zinc/38/43/97/807384397.db2.gz KXEQZHNSMNAFLP-AWEZNQCLSA-N -1 0 321.337 -0.424 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000903048942 807387098 /nfs/dbraw/zinc/38/70/98/807387098.db2.gz ZDBLBTJMYQBZRQ-TUAOUCFPSA-N -1 0 318.395 -0.006 20 0 DBADRM CC[C@@H](CS(=O)(=O)[N-]C1(CS(C)(=O)=O)COC1)OC ZINC000903175415 807388326 /nfs/dbraw/zinc/38/83/26/807388326.db2.gz QFPRBJDXKJIIRE-VIFPVBQESA-N -1 0 315.413 -0.856 20 0 DBADRM CCOC(=O)[C@@]1(F)CN(CC(=O)NCC(=O)[O-])C[C@@H]1CC ZINC000903410507 807389324 /nfs/dbraw/zinc/38/93/24/807389324.db2.gz BMWZBJYMDISYMK-TVQRCGJNSA-N -1 0 304.318 -0.200 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCC1(CC(N)=O)CCCCC1 ZINC001328221027 807395390 /nfs/dbraw/zinc/39/53/90/807395390.db2.gz IMFYEHKIFITVCZ-UHFFFAOYSA-N -1 0 315.370 -0.377 20 0 DBADRM CS(=O)(=O)CC1([N-]S(=O)(=O)CC2(F)CC2)COC1 ZINC000903642231 807401176 /nfs/dbraw/zinc/40/11/76/807401176.db2.gz LTWMGZLMTCHCBY-UHFFFAOYSA-N -1 0 301.361 -0.779 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1COc2cc(F)ccc2C1 ZINC001328255848 807401220 /nfs/dbraw/zinc/40/12/20/807401220.db2.gz HTZMWOLXHFHNFW-NSHDSACASA-N -1 0 312.297 -0.060 20 0 DBADRM CNC(=O)CCCCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC001328388922 807420791 /nfs/dbraw/zinc/42/07/91/807420791.db2.gz VPHMQYQZVGDWFT-SNVBAGLBSA-N -1 0 315.370 -0.269 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCCOCCCO)c1 ZINC001328400945 807422572 /nfs/dbraw/zinc/42/25/72/807422572.db2.gz PAKFHQMMYOMBTR-UHFFFAOYSA-N -1 0 310.306 -0.162 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCOCC[C@@H]1C ZINC000904937008 807427896 /nfs/dbraw/zinc/42/78/96/807427896.db2.gz UCZGDEQLLVPSSS-NSHDSACASA-N -1 0 316.354 -0.427 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@@H](C)[C@H]1C ZINC000904937259 807427930 /nfs/dbraw/zinc/42/79/30/807427930.db2.gz WSZWWYOLHWYYCH-MNOVXSKESA-N -1 0 316.354 -0.428 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000904936273 807427961 /nfs/dbraw/zinc/42/79/61/807427961.db2.gz KDEIWIPHQBXSFS-WDEREUQCSA-N -1 0 316.354 -0.428 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N(C)[C@H]1CC[C@@H]1OC ZINC000904942955 807427989 /nfs/dbraw/zinc/42/79/89/807427989.db2.gz HSVPCTIEJAFFHG-QWRGUYRKSA-N -1 0 316.354 -0.428 20 0 DBADRM C[C@H]1CSCCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000904943270 807427998 /nfs/dbraw/zinc/42/79/98/807427998.db2.gz LTSSCOBPKFHGLY-VHSXEESVSA-N -1 0 316.379 -0.348 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000904936272 807428085 /nfs/dbraw/zinc/42/80/85/807428085.db2.gz KDEIWIPHQBXSFS-QWRGUYRKSA-N -1 0 316.354 -0.428 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1 ZINC001328454356 807428586 /nfs/dbraw/zinc/42/85/86/807428586.db2.gz HFQMFXNFRVYKEO-MXWKQRLJSA-N -1 0 323.349 -0.953 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1 ZINC001328454359 807428889 /nfs/dbraw/zinc/42/88/89/807428889.db2.gz HFQMFXNFRVYKEO-VWYCJHECSA-N -1 0 323.349 -0.953 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@H](CF)C1 ZINC000904944592 807429178 /nfs/dbraw/zinc/42/91/78/807429178.db2.gz ZSLXHCHKHFNMGO-JTQLQIEISA-N -1 0 304.318 -0.246 20 0 DBADRM CN1CC[C@H](C(=O)N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])S1(=O)=O ZINC000905006239 807438137 /nfs/dbraw/zinc/43/81/37/807438137.db2.gz MWRVHWXPTFXQTE-JLIMGVALSA-N -1 0 302.352 -0.801 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NOC[C@@H]2CCOC2)c1 ZINC001328676420 807454156 /nfs/dbraw/zinc/45/41/56/807454156.db2.gz LFQZEBMCDSMLBA-MRVPVSSYSA-N -1 0 316.335 -0.263 20 0 DBADRM CCOCCn1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cn1 ZINC001328711830 807459630 /nfs/dbraw/zinc/45/96/30/807459630.db2.gz ITLOQEYXFWUFOJ-NSHDSACASA-N -1 0 321.341 -0.354 20 0 DBADRM O=C([O-])C12CCC(CC1)CN2S(=O)(=O)N1CCOCC1 ZINC000906001238 807475430 /nfs/dbraw/zinc/47/54/30/807475430.db2.gz YFPFESBHUUWVFB-UHFFFAOYSA-N -1 0 304.368 -0.107 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H](C)C(=O)NCC(F)(F)F ZINC001328873900 807481531 /nfs/dbraw/zinc/48/15/31/807481531.db2.gz YIYOVHZENZNXKW-LURJTMIESA-N -1 0 314.264 -0.580 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC(C)(C)c1cccnc1 ZINC001328964037 807495782 /nfs/dbraw/zinc/49/57/82/807495782.db2.gz HGNBBWJBZSFLKC-UHFFFAOYSA-N -1 0 322.365 -0.341 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCCn2cncn2)CC[C@H]1C(=O)[O-] ZINC001328966115 807496757 /nfs/dbraw/zinc/49/67/57/807496757.db2.gz VETSBTKZKNDMNB-GHMZBOCLSA-N -1 0 323.353 -0.646 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@@H]1C[C@H](C)O ZINC001329001090 807503600 /nfs/dbraw/zinc/50/36/00/807503600.db2.gz QRSGYEDCYZQCJP-WDEREUQCSA-N -1 0 315.370 -0.678 20 0 DBADRM Cc1c(C(=O)N(C)Cc2n[n-]c(=O)o2)nnn1-c1cnn(C)c1 ZINC001329007656 807504642 /nfs/dbraw/zinc/50/46/42/807504642.db2.gz DBZOBEFGBJTLEC-UHFFFAOYSA-N -1 0 318.297 -0.330 20 0 DBADRM C[C@H]1C(=O)N(C)CN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000907024653 807509038 /nfs/dbraw/zinc/50/90/38/807509038.db2.gz MGGUEACDFHXMND-ZETCQYMHSA-N -1 0 301.324 -0.468 20 0 DBADRM Cc1ccn(CC(=O)N2CCSC[C@@H]2c2nnn[n-]2)c(=O)c1 ZINC000907480068 807531275 /nfs/dbraw/zinc/53/12/75/807531275.db2.gz OPKASUAYICXUPF-SNVBAGLBSA-N -1 0 320.378 -0.013 20 0 DBADRM O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907473673 807531707 /nfs/dbraw/zinc/53/17/07/807531707.db2.gz DLLSOQCUCGMYCH-WCBMZHEXSA-N -1 0 322.394 -0.173 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCOCCCO)on1 ZINC001329224676 807540724 /nfs/dbraw/zinc/54/07/24/807540724.db2.gz HQIZPEJDAWHQJW-UHFFFAOYSA-N -1 0 308.312 -0.862 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2nc3ncc(C)cn3n2)C1=O ZINC001329278510 807546401 /nfs/dbraw/zinc/54/64/01/807546401.db2.gz MTDWGZJWPZMKQN-ZDUSSCGKSA-N -1 0 317.309 -0.202 20 0 DBADRM Cn1nc(C2CCOCC2)cc1NC(=O)C(=O)NCCC(=O)[O-] ZINC001329357199 807554275 /nfs/dbraw/zinc/55/42/75/807554275.db2.gz KQRWDHDIXRNUKC-UHFFFAOYSA-N -1 0 324.337 -0.157 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1ccc(NC(C)=O)nc1 ZINC001329398758 807560014 /nfs/dbraw/zinc/56/00/14/807560014.db2.gz SUBPNDQBGGDWTH-UHFFFAOYSA-N -1 0 310.310 -0.650 20 0 DBADRM CCn1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)cn1 ZINC001329428951 807564394 /nfs/dbraw/zinc/56/43/94/807564394.db2.gz WECSWHRKQYREDA-UHFFFAOYSA-N -1 0 324.337 -0.161 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC001329432916 807564498 /nfs/dbraw/zinc/56/44/98/807564498.db2.gz JAAKSEIFZYCGAB-WPRPVWTQSA-N -1 0 324.337 -0.394 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CCCCC(=O)[O-] ZINC001329501026 807578165 /nfs/dbraw/zinc/57/81/65/807578165.db2.gz XYCHFCQAMWSPFC-SNVBAGLBSA-N -1 0 313.354 -0.515 20 0 DBADRM O=C([O-])CCCC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC001329578914 807589186 /nfs/dbraw/zinc/58/91/86/807589186.db2.gz IFEYLEDIRKJNQU-UHFFFAOYSA-N -1 0 319.339 -0.535 20 0 DBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC001329579875 807589717 /nfs/dbraw/zinc/58/97/17/807589717.db2.gz PDMCUEGETMMEIM-SNVBAGLBSA-N -1 0 311.382 -0.092 20 0 DBADRM CS(=O)(=O)CCCCNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001329657844 807600721 /nfs/dbraw/zinc/60/07/21/807600721.db2.gz UWHCLABZXYCOEL-UHFFFAOYSA-N -1 0 303.340 -0.478 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)NC[C@H]1COCCO1 ZINC000908686535 807602244 /nfs/dbraw/zinc/60/22/44/807602244.db2.gz CVFMYJOSOIHPBA-QWRGUYRKSA-N -1 0 304.343 -0.079 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1cc(N2CCOCC2)ccn1 ZINC000909058768 807607542 /nfs/dbraw/zinc/60/75/42/807607542.db2.gz POPQSDUWXMGKBV-CYBMUJFWSA-N -1 0 321.333 -0.156 20 0 DBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@H](O)C1CCC1 ZINC000909198965 807611501 /nfs/dbraw/zinc/61/15/01/807611501.db2.gz IKBSTZWAXFPMET-CYBMUJFWSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)[C@H](O)C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000909198943 807611642 /nfs/dbraw/zinc/61/16/42/807611642.db2.gz HPDGREABCWQHQD-LBPRGKRZSA-N -1 0 300.355 -0.215 20 0 DBADRM CC1(Cn2cc(C(=O)N3CC[C@](F)(C(=O)[O-])C3)nn2)COC1 ZINC000909308463 807613482 /nfs/dbraw/zinc/61/34/82/807613482.db2.gz BIZHYPVITGATEV-CYBMUJFWSA-N -1 0 312.301 -0.047 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)CN1CCCCS1(=O)=O ZINC000909735308 807617151 /nfs/dbraw/zinc/61/71/51/807617151.db2.gz XGQUEHVBSKRURS-SNVBAGLBSA-N -1 0 304.368 -0.122 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)[C@@H](O)C2CCC2)CC1 ZINC000909821969 807617762 /nfs/dbraw/zinc/61/77/62/807617762.db2.gz CZMABQJCBUSCNC-FVINQWEUSA-N -1 0 303.380 -0.028 20 0 DBADRM Cn1nncc1NC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001329807170 807621867 /nfs/dbraw/zinc/62/18/67/807621867.db2.gz NQGNHUYEAYFWLP-UHFFFAOYSA-N -1 0 309.326 -0.143 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC001329814245 807623502 /nfs/dbraw/zinc/62/35/02/807623502.db2.gz ZGZHWEKYAUVNIS-RYUDHWBXSA-N -1 0 323.324 -0.018 20 0 DBADRM CCn1cc(CNC(=O)C(=O)NCCCCCC(=O)[O-])nn1 ZINC001329824790 807625282 /nfs/dbraw/zinc/62/52/82/807625282.db2.gz YHNXVMSTDKPOLU-UHFFFAOYSA-N -1 0 311.342 -0.325 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CCCCS1 ZINC001329834063 807627496 /nfs/dbraw/zinc/62/74/96/807627496.db2.gz NKPLKVLVNOQHRP-SECBINFHSA-N -1 0 303.384 -0.428 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@@H](C)c1ccccn1 ZINC001329863614 807633016 /nfs/dbraw/zinc/63/30/16/807633016.db2.gz QCTPKMUEOOFGMR-JTQLQIEISA-N -1 0 308.338 -0.215 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c(=O)n1C ZINC001329950598 807646921 /nfs/dbraw/zinc/64/69/21/807646921.db2.gz OGGHYEVNAPLZOJ-MRVPVSSYSA-N -1 0 309.322 -0.853 20 0 DBADRM C[C@H](NC(=O)C(=O)N=c1nc[nH]n1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001329951193 807647008 /nfs/dbraw/zinc/64/70/08/807647008.db2.gz QNEUAMONDFLSFC-XHNCKOQMSA-N -1 0 323.353 -0.573 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N[C@H](C)C(=O)NCC(F)(F)F ZINC001329962543 807649959 /nfs/dbraw/zinc/64/99/59/807649959.db2.gz FRUNVTGYQNHSHS-MLUIRONXSA-N -1 0 300.233 -0.341 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000923119123 807650181 /nfs/dbraw/zinc/65/01/81/807650181.db2.gz ZEVKDUZZJJHVTL-GARJFASQSA-N -1 0 302.375 -0.539 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CCCCC(N)=O ZINC001329999319 807657040 /nfs/dbraw/zinc/65/70/40/807657040.db2.gz JNDZODVYFLOMIZ-UHFFFAOYSA-N -1 0 302.356 -0.421 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000923394140 807664084 /nfs/dbraw/zinc/66/40/84/807664084.db2.gz CMIDSBYXWGOVQR-ZETCQYMHSA-N -1 0 309.248 -0.037 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC000923454119 807670546 /nfs/dbraw/zinc/67/05/46/807670546.db2.gz IWIVRXVFVAZVOS-UHFFFAOYSA-N -1 0 300.359 -0.388 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1cn(C[C@@H]2CCOC2)nn1 ZINC001330225080 807687873 /nfs/dbraw/zinc/68/78/73/807687873.db2.gz MAARVGGUZYDVCV-VIFPVBQESA-N -1 0 321.341 -0.499 20 0 DBADRM O=Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])[nH]1 ZINC001330311897 807698332 /nfs/dbraw/zinc/69/83/32/807698332.db2.gz FSPGSRDVJAOSQO-VIFPVBQESA-N -1 0 300.292 -0.849 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(CCF)CC1 ZINC001330352926 807702163 /nfs/dbraw/zinc/70/21/63/807702163.db2.gz SGQAHQBEGWWIFZ-UHFFFAOYSA-N -1 0 303.334 -0.232 20 0 DBADRM CN(C)c1ncc(CNC(=O)c2c[n-]n3c2nccc3=O)n1C ZINC001330441448 807714626 /nfs/dbraw/zinc/71/46/26/807714626.db2.gz QAOSBLKVIHALNC-UHFFFAOYSA-N -1 0 315.337 -0.248 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NC[C@H]1CC[C@H](O)C1 ZINC001330506593 807725287 /nfs/dbraw/zinc/72/52/87/807725287.db2.gz PWDOYPONOCUFCN-IUCAKERBSA-N -1 0 307.306 -0.005 20 0 DBADRM COC[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000926275383 807756315 /nfs/dbraw/zinc/75/63/15/807756315.db2.gz AYKAMFRICSFYAO-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@H]1COCCN1C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000926276203 807757431 /nfs/dbraw/zinc/75/74/31/807757431.db2.gz IHDYJCKTFMNACQ-HZMBPMFUSA-N -1 0 314.338 -0.817 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@H](CO)C2)C1 ZINC000926327329 807759679 /nfs/dbraw/zinc/75/96/79/807759679.db2.gz UYMYUUIIMCKLPI-XHDPSFHLSA-N -1 0 312.366 -0.069 20 0 DBADRM CN(CC1=CCCOC1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001330943678 807761466 /nfs/dbraw/zinc/76/14/66/807761466.db2.gz GREBWJPLXLCTSK-UHFFFAOYSA-N -1 0 303.322 -0.124 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)CO ZINC001331055383 807766617 /nfs/dbraw/zinc/76/66/17/807766617.db2.gz HSIXLPANSPOZLB-MNOVXSKESA-N -1 0 315.370 -0.820 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCSC2)CCO1 ZINC001331052062 807766749 /nfs/dbraw/zinc/76/67/49/807766749.db2.gz SWYOSSALAGNXKX-UWVGGRQHSA-N -1 0 316.379 -0.442 20 0 DBADRM CN1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1(C)C ZINC001331051497 807766838 /nfs/dbraw/zinc/76/68/38/807766838.db2.gz MYHIOUMERKXZJF-UHFFFAOYSA-N -1 0 311.382 -0.090 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)CO ZINC001331055384 807766938 /nfs/dbraw/zinc/76/69/38/807766938.db2.gz HSIXLPANSPOZLB-QWRGUYRKSA-N -1 0 315.370 -0.820 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926441275 807770504 /nfs/dbraw/zinc/77/05/04/807770504.db2.gz ALJFPCKSLPHZDL-YNEHKIRRSA-N -1 0 324.377 -0.215 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(C(=O)O[C@@H]3CCOC3)C2)C1 ZINC000926469800 807773327 /nfs/dbraw/zinc/77/33/27/807773327.db2.gz CGTBDYNOBAXDLK-OUAUKWLOSA-N -1 0 312.322 -0.081 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000927207986 807783201 /nfs/dbraw/zinc/78/32/01/807783201.db2.gz VSCZYYZYABSBRI-NSHDSACASA-N -1 0 312.370 -0.388 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(C(=O)c2cccn2C)CC1 ZINC000927205017 807783360 /nfs/dbraw/zinc/78/33/60/807783360.db2.gz PFGDBZXMJMBHBZ-UHFFFAOYSA-N -1 0 323.353 -0.830 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@H](NC(=O)C(C)C)C1 ZINC000927207713 807783717 /nfs/dbraw/zinc/78/37/17/807783717.db2.gz MDWTXRHLHLXLIR-JTQLQIEISA-N -1 0 300.359 -0.390 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000927206956 807783965 /nfs/dbraw/zinc/78/39/65/807783965.db2.gz IXUBKIBCJGHETA-LLVKDONJSA-N -1 0 314.386 -0.142 20 0 DBADRM CC[C@H]1CN(C(=O)NCC(=O)[N-]OC)C[C@@H]1N1CCOCC1 ZINC000927211819 807784401 /nfs/dbraw/zinc/78/44/01/807784401.db2.gz GJPHRQFXJAMRQF-RYUDHWBXSA-N -1 0 314.386 -0.584 20 0 DBADRM CCn1ccnc1CN1CCN(C(=O)NCC(=O)[N-]OC)CC1 ZINC000927211537 807784623 /nfs/dbraw/zinc/78/46/23/807784623.db2.gz MXJKWJDTDNDPFE-UHFFFAOYSA-N -1 0 324.385 -0.592 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000927211909 807784712 /nfs/dbraw/zinc/78/47/12/807784712.db2.gz PLMJYKHFUWZVHJ-NSHDSACASA-N -1 0 312.370 -0.150 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCCC[C@@H]1CN1CCCC1=O ZINC000927211530 807784953 /nfs/dbraw/zinc/78/49/53/807784953.db2.gz MTEPCCRWEWSKFJ-LLVKDONJSA-N -1 0 312.370 -0.150 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)[N-]OCCN1CCCC1=O ZINC001331280721 807786246 /nfs/dbraw/zinc/78/62/46/807786246.db2.gz MNYYBXZLRPYKRR-SECBINFHSA-N -1 0 313.383 -0.034 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(CCc2cnccn2)CC1 ZINC000927219977 807786719 /nfs/dbraw/zinc/78/67/19/807786719.db2.gz MKXMEAUWZRBEDE-UHFFFAOYSA-N -1 0 322.369 -0.976 20 0 DBADRM CCN1CCN(C(=O)NCC(=O)[N-]OC)C[C@H]1c1nccn1C ZINC000927217967 807787079 /nfs/dbraw/zinc/78/70/79/807787079.db2.gz SRMFNMNMVLOYDJ-NSHDSACASA-N -1 0 324.385 -0.514 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1Cc2ccccc2N(C)C(=O)C1 ZINC000927217143 807787232 /nfs/dbraw/zinc/78/72/32/807787232.db2.gz XIMLVAWNASLVAE-UHFFFAOYSA-N -1 0 306.322 -0.148 20 0 DBADRM CS(=O)(=O)CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CC1(F)F ZINC001331522734 807795512 /nfs/dbraw/zinc/79/55/12/807795512.db2.gz XQWKLPVXMALFHF-ZETCQYMHSA-N -1 0 319.351 -0.088 20 0 DBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)CC[C@@H]2CCCO2)CC1 ZINC001331553271 807796337 /nfs/dbraw/zinc/79/63/37/807796337.db2.gz TTYNKYGRXFEQTO-VIFPVBQESA-N -1 0 305.352 -0.045 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCS1 ZINC000927963381 807800697 /nfs/dbraw/zinc/80/06/97/807800697.db2.gz INHLRLHQDDNOIQ-UTLUCORTSA-N -1 0 316.379 -0.301 20 0 DBADRM Cc1noc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC001331730593 807822008 /nfs/dbraw/zinc/82/20/08/807822008.db2.gz MBSZSZLSTQUVEX-CBAPKCEASA-N -1 0 310.310 -0.437 20 0 DBADRM Cc1noc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC001331730594 807822137 /nfs/dbraw/zinc/82/21/37/807822137.db2.gz MBSZSZLSTQUVEX-IONNQARKSA-N -1 0 310.310 -0.437 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC001331846314 807842388 /nfs/dbraw/zinc/84/23/88/807842388.db2.gz DNZCQNYTGQEYDR-NNYUYHANSA-N -1 0 312.366 -0.215 20 0 DBADRM COC(=O)C[C@H](C)N1CCN(C(=O)[C@H](OC)C(=O)[O-])CC1 ZINC001331934214 807853376 /nfs/dbraw/zinc/85/33/76/807853376.db2.gz LGEOWCHSRCXTRM-ONGXEEELSA-N -1 0 302.327 -0.818 20 0 DBADRM C/C(=C\C(=O)N1CCO[C@@H](CC(=O)[O-])C1)CN1CCOCC1 ZINC001332164704 807879555 /nfs/dbraw/zinc/87/95/55/807879555.db2.gz PHINUDDFPXYRHN-RPHSKFLZSA-N -1 0 312.366 -0.033 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)/C=C/CN1CCOCC1 ZINC001332448059 807920223 /nfs/dbraw/zinc/92/02/23/807920223.db2.gz LQYYYNPZVQZVSQ-NSCUHMNNSA-N -1 0 314.338 -0.649 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC[C@H]1O ZINC001332446619 807920628 /nfs/dbraw/zinc/92/06/28/807920628.db2.gz LDPOLEBOFANYDY-FTYKPCCVSA-N -1 0 324.377 -0.215 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2CCN2CCCC2=O)c1[O-] ZINC001038161316 815159785 /nfs/dbraw/zinc/15/97/85/815159785.db2.gz MTBUFPVKXIDQJR-NSHDSACASA-N -1 0 321.381 -0.150 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000931678907 807934233 /nfs/dbraw/zinc/93/42/33/807934233.db2.gz HPZJTAKIMXADIE-QWRGUYRKSA-N -1 0 310.358 -0.083 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2CCn2cncn2)c1[O-] ZINC001038166287 815160699 /nfs/dbraw/zinc/16/06/99/815160699.db2.gz YVLLRZGKDYZKLA-SNVBAGLBSA-N -1 0 305.342 -0.480 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001332588709 807944987 /nfs/dbraw/zinc/94/49/87/807944987.db2.gz OLZSRGDIBYEQNV-JTQLQIEISA-N -1 0 312.370 -0.246 20 0 DBADRM C/C(=C/C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)CN1CCOCC1 ZINC001332629451 807954199 /nfs/dbraw/zinc/95/41/99/807954199.db2.gz PLKMUWHNJJIGFN-MENMGGHXSA-N -1 0 312.366 -0.035 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1nnn(-c2ccn(C)n2)c1C ZINC001332712760 807970202 /nfs/dbraw/zinc/97/02/02/807970202.db2.gz ZLNZBDHGVMYQCY-UHFFFAOYSA-N -1 0 307.314 -0.893 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cccc(OCC)c1 ZINC001332761881 807975261 /nfs/dbraw/zinc/97/52/61/807975261.db2.gz NZJZBUCFDCHLPS-UHFFFAOYSA-N -1 0 323.349 -0.115 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CC[C@H](SC)C1 ZINC001332789863 807979012 /nfs/dbraw/zinc/97/90/12/807979012.db2.gz NJMLCPDUIRRQNV-BDAKNGLRSA-N -1 0 303.384 -0.429 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001332843102 807986697 /nfs/dbraw/zinc/98/66/97/807986697.db2.gz NDJPKGBPGUYNEO-UHFFFAOYSA-N -1 0 314.386 -0.887 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC001332841799 807986744 /nfs/dbraw/zinc/98/67/44/807986744.db2.gz HIFJKRYQHUTYET-JTQLQIEISA-N -1 0 313.354 -0.802 20 0 DBADRM CCn1ccnc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038202836 815164485 /nfs/dbraw/zinc/16/44/85/815164485.db2.gz YOGLMMAJOSGAKL-VIFPVBQESA-N -1 0 305.342 -0.269 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCc1cnn(CCF)c1 ZINC000933479382 808001802 /nfs/dbraw/zinc/00/18/02/808001802.db2.gz NZGBJIXJJOAENA-UHFFFAOYSA-N -1 0 304.347 -0.120 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC001333124461 808018652 /nfs/dbraw/zinc/01/86/52/808018652.db2.gz IPKCBOSOMOWGKH-YGRLFVJLSA-N -1 0 314.338 -0.628 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](OC(C)C)C1 ZINC001333294464 808040362 /nfs/dbraw/zinc/04/03/62/808040362.db2.gz AFWSHSMPQWFFSZ-SNVBAGLBSA-N -1 0 301.343 -0.804 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001333296561 808040408 /nfs/dbraw/zinc/04/04/08/808040408.db2.gz ONSXXVCODZUMBT-BLLLJJGKSA-N -1 0 317.345 -0.420 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC2CC(F)(F)C2)C1 ZINC001333317000 808042890 /nfs/dbraw/zinc/04/28/90/808042890.db2.gz QVGYHGQYQLEFNC-LBPRGKRZSA-N -1 0 320.292 -0.150 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC001333313250 808043040 /nfs/dbraw/zinc/04/30/40/808043040.db2.gz LKNQLRVMDWSOHG-XQHKEYJVSA-N -1 0 310.350 -0.222 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[C@@H](C2CC2)O1 ZINC001333334954 808046139 /nfs/dbraw/zinc/04/61/39/808046139.db2.gz WWZXIRIYONXVRQ-IXLVHKGHSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001038264862 815172187 /nfs/dbraw/zinc/17/21/87/815172187.db2.gz DMRKZFQWPVTDLA-KXUCPTDWSA-N -1 0 322.369 -0.885 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001333424654 808058951 /nfs/dbraw/zinc/05/89/51/808058951.db2.gz JMBNKJDASUJXMQ-HTQZYQBOSA-N -1 0 314.260 -0.093 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)c1cc(F)cc(F)c1[O-] ZINC000935946907 808061917 /nfs/dbraw/zinc/06/19/17/808061917.db2.gz CYJGIIVPSIUHNT-UHFFFAOYSA-N -1 0 323.321 -0.204 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001333516852 808070451 /nfs/dbraw/zinc/07/04/51/808070451.db2.gz YYKZAEUTRVHZMC-SGWXMTNESA-N -1 0 313.335 -0.399 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C)C(=O)[O-] ZINC001333515825 808071073 /nfs/dbraw/zinc/07/10/73/808071073.db2.gz GMHVZJXZLBWENB-RKDXNWHRSA-N -1 0 324.337 -0.158 20 0 DBADRM COC(=O)NC1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])CC1 ZINC001333639597 808083846 /nfs/dbraw/zinc/08/38/46/808083846.db2.gz KTAGBVSLBIKVSR-UHFFFAOYSA-N -1 0 315.326 -0.734 20 0 DBADRM Cc1cnn(CC(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)C2)c1 ZINC000938238279 808086792 /nfs/dbraw/zinc/08/67/92/808086792.db2.gz TZXNHLQTLJDKMA-JTQLQIEISA-N -1 0 303.326 -0.659 20 0 DBADRM Cn1cc(CC(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)C2)cn1 ZINC000938238434 808086935 /nfs/dbraw/zinc/08/69/35/808086935.db2.gz XDRRPPQFOUZLJW-JTQLQIEISA-N -1 0 303.326 -0.888 20 0 DBADRM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)C2)nc(C)n1 ZINC000938238167 808086993 /nfs/dbraw/zinc/08/69/93/808086993.db2.gz GGJNFLGERIDWSZ-JTQLQIEISA-N -1 0 315.337 -0.144 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cc[n+]([O-])cc1)OC ZINC001333671772 808087266 /nfs/dbraw/zinc/08/72/66/808087266.db2.gz PAHBPFDCPKOTIE-JTQLQIEISA-N -1 0 304.324 -0.959 20 0 DBADRM CO[C@H](C(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)C1)C1CCC1 ZINC000938237987 808087379 /nfs/dbraw/zinc/08/73/79/808087379.db2.gz BSSOZXQKCYVLFY-JQWIXIFHSA-N -1 0 307.354 -0.050 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@](C)(C(F)(F)F)C1 ZINC001333775561 808095944 /nfs/dbraw/zinc/09/59/44/808095944.db2.gz QIYOYUNWVYLEHD-SNVBAGLBSA-N -1 0 311.260 -0.419 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCOC[C@H]1CC(C)C ZINC001333774956 808095975 /nfs/dbraw/zinc/09/59/75/808095975.db2.gz LKHAVLQKPHGYTG-SNVBAGLBSA-N -1 0 301.343 -0.946 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1Cc2ccc(OC)cc2C1 ZINC001333775504 808096299 /nfs/dbraw/zinc/09/62/99/808096299.db2.gz OWHSUEQHUDHYTH-UHFFFAOYSA-N -1 0 307.306 -0.669 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@H](C)N(C)c1ccccc1 ZINC001333788218 808097886 /nfs/dbraw/zinc/09/78/86/808097886.db2.gz YFSZRFUEYPXYJH-NSHDSACASA-N -1 0 322.365 -0.579 20 0 DBADRM O=C(NC[C@@H]1CSCCS1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001333827986 808101564 /nfs/dbraw/zinc/10/15/64/808101564.db2.gz FATFTTUXPZMHTP-HRDYMLBCSA-N -1 0 318.420 -0.069 20 0 DBADRM O=C(N[C@@H]1CCCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000943018345 808107975 /nfs/dbraw/zinc/10/79/75/808107975.db2.gz VQHNAKXBAHSKDC-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001333999308 808124387 /nfs/dbraw/zinc/12/43/87/808124387.db2.gz HZUKBGTZBKREKW-MNOVXSKESA-N -1 0 309.297 -0.408 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC001333999309 808124404 /nfs/dbraw/zinc/12/44/04/808124404.db2.gz HZUKBGTZBKREKW-QWRGUYRKSA-N -1 0 309.297 -0.408 20 0 DBADRM COCCCn1cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)cn1 ZINC001334163652 808137472 /nfs/dbraw/zinc/13/74/72/808137472.db2.gz FCHIZILQXWUIBC-UHFFFAOYSA-N -1 0 311.338 -0.029 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1C ZINC001334321754 808152372 /nfs/dbraw/zinc/15/23/72/808152372.db2.gz AMTSYALWZPJBAH-NWDGAFQWSA-N -1 0 305.334 -0.239 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)CC[C@H]2CCCO2)C1=O ZINC001334341542 808154320 /nfs/dbraw/zinc/15/43/20/808154320.db2.gz BHADASCFOLKILJ-ZJUUUORDSA-N -1 0 304.368 -0.520 20 0 DBADRM CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000947004348 808162280 /nfs/dbraw/zinc/16/22/80/808162280.db2.gz ZPKFNODCKLZIKB-LDYMZIIASA-N -1 0 303.322 -0.381 20 0 DBADRM C[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000947024513 808164839 /nfs/dbraw/zinc/16/48/39/808164839.db2.gz INVTZLLTYULEFL-HTRCEHHLSA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000947031395 808165968 /nfs/dbraw/zinc/16/59/68/808165968.db2.gz MUBFWFWCWJUESC-LDYMZIIASA-N -1 0 320.349 -0.527 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2cc(F)ccc2C1 ZINC001334508128 808174033 /nfs/dbraw/zinc/17/40/33/808174033.db2.gz BPERQJDVQKGQRG-UHFFFAOYSA-N -1 0 309.297 -0.496 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCN(c2cccs2)CC1 ZINC001334559852 808178130 /nfs/dbraw/zinc/17/81/30/808178130.db2.gz OVQSVHXMYQQQPK-UHFFFAOYSA-N -1 0 323.382 -0.261 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)Cc2cc[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947148690 808178746 /nfs/dbraw/zinc/17/87/46/808178746.db2.gz SMJAWHXQUHVEFI-ZJUUUORDSA-N -1 0 319.369 -0.055 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001334597096 808182230 /nfs/dbraw/zinc/18/22/30/808182230.db2.gz LSKCNBMECZQTOA-SSDOTTSWSA-N -1 0 324.263 -0.492 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)Cn2nccn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947351717 808186030 /nfs/dbraw/zinc/18/60/30/808186030.db2.gz FENQCFFMMAUFRE-ZJUUUORDSA-N -1 0 320.357 -0.729 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCN(C(=O)c3cn[nH]n3)CC2)c1[O-] ZINC000947364201 808187432 /nfs/dbraw/zinc/18/74/32/808187432.db2.gz DSHJMEFGWUTTSR-UHFFFAOYSA-N -1 0 319.325 -0.424 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2cn[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947484362 808197758 /nfs/dbraw/zinc/19/77/58/808197758.db2.gz LCKVIXAVVLJIPC-HTQZYQBOSA-N -1 0 306.330 -0.589 20 0 DBADRM CCc1cc(=O)n2[nH]c(NC(=O)CCc3cnn(C)n3)nc2n1 ZINC001334841330 808206743 /nfs/dbraw/zinc/20/67/43/808206743.db2.gz NCJJAWYPBRPVGT-UHFFFAOYSA-N -1 0 316.325 -0.320 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1 ZINC000947606385 808206798 /nfs/dbraw/zinc/20/67/98/808206798.db2.gz CSIZRAQLKGTJNJ-APPZFPTMSA-N -1 0 320.357 -0.280 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038374343 815184057 /nfs/dbraw/zinc/18/40/57/815184057.db2.gz PSVWKSMKBICVMS-ZETCQYMHSA-N -1 0 307.314 -0.748 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(NC(=O)C2CCC2)CC1 ZINC000947659435 808212279 /nfs/dbraw/zinc/21/22/79/808212279.db2.gz OYONKYSCCBEUDR-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001335040542 808226955 /nfs/dbraw/zinc/22/69/55/808226955.db2.gz HWOFDFUKPFKHGO-NEPJUHHUSA-N -1 0 324.385 -0.006 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1C[C@@H](C)OC2(CCC2)C1 ZINC001335082142 808233057 /nfs/dbraw/zinc/23/30/57/808233057.db2.gz NWYSHFZLTPISIG-SNVBAGLBSA-N -1 0 310.358 -0.111 20 0 DBADRM CCc1nn(C)cc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038385946 815186866 /nfs/dbraw/zinc/18/68/66/815186866.db2.gz SHBYFMRVAAVSHM-SECBINFHSA-N -1 0 319.369 -0.190 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cnn(CCF)c1 ZINC001038442787 815193983 /nfs/dbraw/zinc/19/39/83/815193983.db2.gz YECLPYXQVAQFKU-SNVBAGLBSA-N -1 0 323.332 -0.319 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC001335144203 808244024 /nfs/dbraw/zinc/24/40/24/808244024.db2.gz LFUXTXKPBVISPN-LLVKDONJSA-N -1 0 313.354 -0.802 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)NCCCn2cncn2)C1 ZINC001335215906 808255506 /nfs/dbraw/zinc/25/55/06/808255506.db2.gz HBPXRTSHFWXGDK-LLVKDONJSA-N -1 0 323.353 -0.502 20 0 DBADRM CC[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])CC[C@@H]1NC(=O)C(N)=O ZINC000948380915 808281524 /nfs/dbraw/zinc/28/15/24/808281524.db2.gz ZJPOQEIVMFNIKG-IUCAKERBSA-N -1 0 323.353 -0.734 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001335431404 808287739 /nfs/dbraw/zinc/28/77/39/808287739.db2.gz JBWOJEXIMJINET-ARJAWSKDSA-N -1 0 316.335 -0.001 20 0 DBADRM COCCOCCN1CCN(c2cc(C(=O)[O-])ncn2)CC1 ZINC001335454047 808289329 /nfs/dbraw/zinc/28/93/29/808289329.db2.gz KYSJTAPKPNJCHA-UHFFFAOYSA-N -1 0 310.354 -0.040 20 0 DBADRM CC[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC[C@@H]1NC(C)=O ZINC000948498389 808291326 /nfs/dbraw/zinc/29/13/26/808291326.db2.gz LHOPWPLIECLYBK-JQWIXIFHSA-N -1 0 322.365 -0.137 20 0 DBADRM CC[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000948524418 808294597 /nfs/dbraw/zinc/29/45/97/808294597.db2.gz GJKWNCVIMCYNAR-BDAKNGLRSA-N -1 0 323.353 -0.734 20 0 DBADRM O=C(CNC(=O)c1cc2ccccc2[nH]1)NCc1nc(=O)o[n-]1 ZINC001335571716 808298544 /nfs/dbraw/zinc/29/85/44/808298544.db2.gz DZGUUVLVIFLFOT-UHFFFAOYSA-N -1 0 315.289 -0.110 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C1CCCC1 ZINC000948626833 808308482 /nfs/dbraw/zinc/30/84/82/808308482.db2.gz BTGMMPPVPKCBFB-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]1CNC(=O)C1CCCC1 ZINC000948626853 808309183 /nfs/dbraw/zinc/30/91/83/808309183.db2.gz BYXSSILXMSWPAB-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1c(CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cnn1C ZINC000948689781 808316856 /nfs/dbraw/zinc/31/68/56/808316856.db2.gz ATOSSXFBIVMRSA-UHFFFAOYSA-N -1 0 319.369 -0.561 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCC[C@H](SC)C1 ZINC001335781850 808320072 /nfs/dbraw/zinc/32/00/72/808320072.db2.gz VFMZWXDEGNSBAY-IUCAKERBSA-N -1 0 303.384 -0.429 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1ccns1)c1n[nH]c(=O)[n-]c1=O ZINC001038457067 815195779 /nfs/dbraw/zinc/19/57/79/815195779.db2.gz DWILSRMPWKCFKL-ZETCQYMHSA-N -1 0 322.350 -0.256 20 0 DBADRM CCOC[C@H]1CCCN(c2nnnn2CC(=O)[N-]OCC)C1 ZINC001335911104 808330407 /nfs/dbraw/zinc/33/04/07/808330407.db2.gz KIGBMPAKIWKSJG-NSHDSACASA-N -1 0 312.374 -0.006 20 0 DBADRM Cc1ncc(CN2CC[C@@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001038460154 815196407 /nfs/dbraw/zinc/19/64/07/815196407.db2.gz TVGPCUKEOVJICI-MRVPVSSYSA-N -1 0 320.309 -0.416 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1nncs1)c1n[nH]c(=O)[n-]c1=O ZINC001038460671 815196425 /nfs/dbraw/zinc/19/64/25/815196425.db2.gz XVNOBOILBYCUMX-ZCFIWIBFSA-N -1 0 323.338 -0.861 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001336096022 808341998 /nfs/dbraw/zinc/34/19/98/808341998.db2.gz LDYBCPIAYMNHTL-NSHDSACASA-N -1 0 310.358 -0.254 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N(C)CCc1nccs1 ZINC001336138517 808346239 /nfs/dbraw/zinc/34/62/39/808346239.db2.gz ZQEICSNZWPJOQH-UHFFFAOYSA-N -1 0 311.371 -0.124 20 0 DBADRM Cn1ccc(CN2CC[C@@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001038466035 815197478 /nfs/dbraw/zinc/19/74/78/815197478.db2.gz QDFGOMYCUNHVKX-SECBINFHSA-N -1 0 319.325 -0.979 20 0 DBADRM CN1CC[C@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1=O ZINC000948915682 808358228 /nfs/dbraw/zinc/35/82/28/808358228.db2.gz ZFFMPIUHQAOSKN-JTQLQIEISA-N -1 0 322.369 -0.977 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1Cc2cc(F)c(F)cc2C1 ZINC001336298869 808360503 /nfs/dbraw/zinc/36/05/03/808360503.db2.gz BZMTUGKICGFRDB-UHFFFAOYSA-N -1 0 313.260 -0.399 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC(F)(C2CC2)CC1 ZINC001336303095 808361539 /nfs/dbraw/zinc/36/15/39/808361539.db2.gz YWYJSWDDKYSOMF-UHFFFAOYSA-N -1 0 301.318 -0.479 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC001336303063 808361643 /nfs/dbraw/zinc/36/16/43/808361643.db2.gz YORPHLQZEIKFJP-GXFFZTMASA-N -1 0 305.334 0.000 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC(=O)N1 ZINC000949029343 808377924 /nfs/dbraw/zinc/37/79/24/808377924.db2.gz FRSKGDMHHUYNLW-ZJUUUORDSA-N -1 0 322.369 -0.931 20 0 DBADRM COc1cnc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)nc1 ZINC001038498699 815201231 /nfs/dbraw/zinc/20/12/31/815201231.db2.gz SJKOLYYRHVYDJU-QMMMGPOBSA-N -1 0 319.325 -0.687 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCOC2)C[C@H]1C1CC1 ZINC001336571871 808392523 /nfs/dbraw/zinc/39/25/23/808392523.db2.gz IMVYJNBSXFLVPF-ZMLRMANQSA-N -1 0 310.350 -0.292 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(Cc2nccs2)CC1 ZINC000949110984 808395841 /nfs/dbraw/zinc/39/58/41/808395841.db2.gz AVMDQMKCPPKUAP-UHFFFAOYSA-N -1 0 322.350 -0.303 20 0 DBADRM CC[C@@H](CN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1)OC ZINC000949111314 808395948 /nfs/dbraw/zinc/39/59/48/808395948.db2.gz NSOSTWHYBYTUMB-VIFPVBQESA-N -1 0 311.342 -0.534 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@H]1C ZINC000949146736 808407584 /nfs/dbraw/zinc/40/75/84/808407584.db2.gz HTURXSHXLVSTOU-LDYMZIIASA-N -1 0 303.322 -0.381 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1nc(C)ncc1Br ZINC001336902740 808424027 /nfs/dbraw/zinc/42/40/27/808424027.db2.gz DIFOYUCOMCYBAK-UHFFFAOYSA-N -1 0 303.116 -0.045 20 0 DBADRM Cc1cc(CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n(C)n1 ZINC000949269025 808433005 /nfs/dbraw/zinc/43/30/05/808433005.db2.gz AYFBBLSZAZGDFR-UHFFFAOYSA-N -1 0 319.369 -0.561 20 0 DBADRM CCn1cc(CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC000949414059 808458008 /nfs/dbraw/zinc/45/80/08/808458008.db2.gz POEYZHOKZVGZJT-UHFFFAOYSA-N -1 0 320.357 -0.991 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@H]2COCCO2)c1[O-] ZINC000949426771 808458718 /nfs/dbraw/zinc/45/87/18/808458718.db2.gz RKNRLRFKWOFKOX-NXEZZACHSA-N -1 0 324.337 -0.830 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC000949424715 808458796 /nfs/dbraw/zinc/45/87/96/808458796.db2.gz CRDYQRYCIOYOGG-RKDXNWHRSA-N -1 0 321.337 -0.967 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)Cn2cncn2)c1[O-] ZINC000949430926 808459698 /nfs/dbraw/zinc/45/96/98/808459698.db2.gz QWKVVOGWTGTCPQ-SECBINFHSA-N -1 0 319.325 -0.954 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2ccn(C)n2)c1[O-] ZINC000949430757 808460101 /nfs/dbraw/zinc/46/01/01/808460101.db2.gz OIJWYOVPGYRJFP-VIFPVBQESA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2cn(C)nn2)c1[O-] ZINC000949427068 808460356 /nfs/dbraw/zinc/46/03/56/808460356.db2.gz VDCNXBLUIHFPPZ-QMMMGPOBSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)Cn2ccnc2)c1[O-] ZINC000949434121 808460775 /nfs/dbraw/zinc/46/07/75/808460775.db2.gz GSTBYZPTETUCQQ-SNVBAGLBSA-N -1 0 318.337 -0.349 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2cnon2)c1[O-] ZINC000949433758 808461314 /nfs/dbraw/zinc/46/13/14/808461314.db2.gz BRVDRJPRKRVIJN-SSDOTTSWSA-N -1 0 306.282 -0.549 20 0 DBADRM CN(C)S(=O)(=O)[N-]C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC001337739806 808489489 /nfs/dbraw/zinc/48/94/89/808489489.db2.gz HRTHSHMDCNIQPO-UHFFFAOYSA-N -1 0 302.356 -0.257 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001338127086 808519220 /nfs/dbraw/zinc/51/92/20/808519220.db2.gz BONLQOJYZZBUEI-JYUDYDOHSA-N -1 0 321.337 -0.032 20 0 DBADRM CC(C)=CC(=O)N1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000949865842 808556304 /nfs/dbraw/zinc/55/63/04/808556304.db2.gz WHBIFPZVZHZJGV-VIFPVBQESA-N -1 0 321.337 -0.030 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN([C@@H]2CCNC2=O)C1 ZINC000949901535 808561507 /nfs/dbraw/zinc/56/15/07/808561507.db2.gz ZYMOQXRBYBZBHK-SNVBAGLBSA-N -1 0 307.354 -0.541 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC001338725010 808565282 /nfs/dbraw/zinc/56/52/82/808565282.db2.gz YZXIBFBNJODZCW-UHFFFAOYSA-N -1 0 309.278 -0.681 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038616492 815217958 /nfs/dbraw/zinc/21/79/58/815217958.db2.gz NVBUFQJWYMDNSV-MRVPVSSYSA-N -1 0 319.325 -0.681 20 0 DBADRM CCN(CC)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC001338923595 808571726 /nfs/dbraw/zinc/57/17/26/808571726.db2.gz QPDQMEGASWPFLH-UHFFFAOYSA-N -1 0 319.383 -0.382 20 0 DBADRM CCNC(=O)CN1CCCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1 ZINC001339134631 808580349 /nfs/dbraw/zinc/58/03/49/808580349.db2.gz OHQZVXSLGGMRCA-ABAIWWIYSA-N -1 0 311.382 -0.232 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001339169038 808581935 /nfs/dbraw/zinc/58/19/35/808581935.db2.gz NOYNHWRWWPQOGN-NHYWBVRUSA-N -1 0 314.382 -0.361 20 0 DBADRM CCC(=O)NCC1=CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001339322905 808586712 /nfs/dbraw/zinc/58/67/12/808586712.db2.gz BBVIRQWCFAWJLT-UHFFFAOYSA-N -1 0 307.310 -0.419 20 0 DBADRM COC(=O)c1ccsc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC001339641848 808597426 /nfs/dbraw/zinc/59/74/26/808597426.db2.gz JNXQILVVJGZNFV-UHFFFAOYSA-N -1 0 310.295 -0.697 20 0 DBADRM C[C@@H]1COCC[C@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000950346975 808634391 /nfs/dbraw/zinc/63/43/91/808634391.db2.gz LAAYRGRPICGCFI-GHMZBOCLSA-N -1 0 309.370 -0.173 20 0 DBADRM C[C@@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCCO1 ZINC000950366198 808636339 /nfs/dbraw/zinc/63/63/39/808636339.db2.gz WUPAULRLRYZKQS-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1cccc(C(=O)N(C)C)c1 ZINC001340478871 808639726 /nfs/dbraw/zinc/63/97/26/808639726.db2.gz NIPVIACBBGRBII-UHFFFAOYSA-N -1 0 323.349 -0.301 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)NCC[C@H]2CCCOC2)CC1 ZINC001340566182 808643406 /nfs/dbraw/zinc/64/34/06/808643406.db2.gz CVABJRLHUOTWIY-LLVKDONJSA-N -1 0 313.354 -0.259 20 0 DBADRM C[C@H]1COCC[C@@H]1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001341366857 808681664 /nfs/dbraw/zinc/68/16/64/808681664.db2.gz CHWNDROGJGLTBR-WDEREUQCSA-N -1 0 313.354 -0.403 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCCO[C@H]2CCOC2)C1 ZINC001341448893 808686002 /nfs/dbraw/zinc/68/60/02/808686002.db2.gz FOONEDYLGIPFPW-SMDDNHRTSA-N -1 0 316.354 -0.075 20 0 DBADRM C[C@H](C(=O)NCc1nc(=O)o[n-]1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001341588183 808691043 /nfs/dbraw/zinc/69/10/43/808691043.db2.gz VGSHPEMFSQPTRI-IWSPIJDZSA-N -1 0 322.321 -0.457 20 0 DBADRM CCN(C(=O)[C@H]1CO[C@@H](C)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950666278 808691867 /nfs/dbraw/zinc/69/18/67/808691867.db2.gz FUARKRQQITXRDN-VHSXEESVSA-N -1 0 309.370 -0.032 20 0 DBADRM CCN1CCC[C@H](NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)C1=O ZINC001341926584 808705324 /nfs/dbraw/zinc/70/53/24/808705324.db2.gz CUHWTMVXEXZURF-MNOVXSKESA-N -1 0 313.354 -0.802 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)NCC(=O)[N-]OC)[C@H](CC)CO1 ZINC001342028988 808712475 /nfs/dbraw/zinc/71/24/75/808712475.db2.gz AVISPNDXBRKGOU-NXEZZACHSA-N -1 0 301.343 -0.804 20 0 DBADRM CC[C@@H]1CO[C@@H](CC)CN1C(=O)C(=O)NCC(=O)[N-]OC ZINC001342028991 808712569 /nfs/dbraw/zinc/71/25/69/808712569.db2.gz AVISPNDXBRKGOU-ZJUUUORDSA-N -1 0 301.343 -0.804 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC001342029368 808712701 /nfs/dbraw/zinc/71/27/01/808712701.db2.gz GZKCHQOSSLBMCE-OTYXRUKQSA-N -1 0 315.370 -0.558 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2cncn2C)c1[O-] ZINC000950884189 808726524 /nfs/dbraw/zinc/72/65/24/808726524.db2.gz HDYUDUIRBXGQNW-VIFPVBQESA-N -1 0 318.337 -0.198 20 0 DBADRM COCCOC[C@@H](C)NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001342655684 808738358 /nfs/dbraw/zinc/73/83/58/808738358.db2.gz AZVBTRWLKIFVIJ-GHMZBOCLSA-N -1 0 304.343 -0.762 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2csnn2)c1[O-] ZINC000951265744 808788863 /nfs/dbraw/zinc/78/88/63/808788863.db2.gz HKZUMZMTCWENKZ-ZETCQYMHSA-N -1 0 322.350 -0.080 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC000951298397 808794451 /nfs/dbraw/zinc/79/44/51/808794451.db2.gz XSEICOUENOXMOR-IONNQARKSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(/C=C\C1CC1)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297559 808794538 /nfs/dbraw/zinc/79/45/38/808794538.db2.gz DATGUPWVBYIXOV-TYRPZCRBSA-N -1 0 319.321 -0.420 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297742 808794614 /nfs/dbraw/zinc/79/46/14/808794614.db2.gz JBUSCENXJSZIFT-PFPYCLJUSA-N -1 0 307.310 -0.420 20 0 DBADRM O=C(NC[C@H]1CCN1C(=O)C1=CCCC1)c1n[nH]c(=O)[n-]c1=O ZINC000951298405 808794871 /nfs/dbraw/zinc/79/48/71/808794871.db2.gz XVGIICDESCXALJ-SECBINFHSA-N -1 0 319.321 -0.276 20 0 DBADRM CC[C@@H](C)C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297763 808794998 /nfs/dbraw/zinc/79/49/98/808794998.db2.gz JIDSCVWBLOXIDZ-SFYZADRCSA-N -1 0 309.326 -0.340 20 0 DBADRM CC1(C(=O)N2CC[C@@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000951300739 808795561 /nfs/dbraw/zinc/79/55/61/808795561.db2.gz XJCYMDGXHQYXML-SSDOTTSWSA-N -1 0 307.310 -0.586 20 0 DBADRM CC1(C(=O)N2CC[C@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC000951300664 808795589 /nfs/dbraw/zinc/79/55/89/808795589.db2.gz VWPAQOYUZBSXGN-QMMMGPOBSA-N -1 0 321.337 -0.196 20 0 DBADRM CCC(=O)N[C@H]1CCCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000951315429 808799906 /nfs/dbraw/zinc/79/99/06/808799906.db2.gz UDSWWWSGMSZLEE-VIFPVBQESA-N -1 0 323.353 -0.267 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCCC(=O)N1 ZINC001038702834 815237369 /nfs/dbraw/zinc/23/73/69/815237369.db2.gz RLYAJEWJUAYDOF-ZJUUUORDSA-N -1 0 322.369 -0.740 20 0 DBADRM O=C(N[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000951461143 808825102 /nfs/dbraw/zinc/82/51/02/808825102.db2.gz KKPZDIIQKNMHME-QMMMGPOBSA-N -1 0 307.310 -0.586 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H](NC(=O)C2CC2)C1 ZINC000951513363 808835451 /nfs/dbraw/zinc/83/54/51/808835451.db2.gz RPMBMYVLEALYGC-VIFPVBQESA-N -1 0 309.326 -0.794 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H](NC(=O)C(F)F)C1 ZINC000951511955 808835532 /nfs/dbraw/zinc/83/55/32/808835532.db2.gz BGTIYNQBGBZFKQ-LURJTMIESA-N -1 0 319.268 -0.938 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951599714 808858702 /nfs/dbraw/zinc/85/87/02/808858702.db2.gz BXJFHFUCIOZWDS-RNJXMRFFSA-N -1 0 307.310 -0.731 20 0 DBADRM NC(=O)CN1CC[C@H]1CNC(=O)c1n[n-]c2ccccc2c1=O ZINC001038763830 815244375 /nfs/dbraw/zinc/24/43/75/815244375.db2.gz HUNHIIUVZVSWIC-VIFPVBQESA-N -1 0 315.333 -0.375 20 0 DBADRM CCn1ccc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001038776497 815244776 /nfs/dbraw/zinc/24/47/76/815244776.db2.gz SYCVNICHRCHSCZ-VIFPVBQESA-N -1 0 305.342 -0.269 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2cccnn2)c1[O-] ZINC000951794090 808904598 /nfs/dbraw/zinc/90/45/98/808904598.db2.gz BYKMRTYNTMEKAL-VIFPVBQESA-N -1 0 316.321 -0.142 20 0 DBADRM O=C(NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CC12CC2 ZINC000952248589 808978082 /nfs/dbraw/zinc/97/80/82/808978082.db2.gz NLIOENKUOAUZLS-YUMQZZPRSA-N -1 0 319.321 -0.586 20 0 DBADRM CCCn1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC000952447398 808991592 /nfs/dbraw/zinc/99/15/92/808991592.db2.gz VZVRIMXBARVHKC-UHFFFAOYSA-N -1 0 320.357 -0.530 20 0 DBADRM CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000952570830 808996100 /nfs/dbraw/zinc/99/61/00/808996100.db2.gz UAFLEEWAUAGNFY-ZJUUUORDSA-N -1 0 323.353 -0.309 20 0 DBADRM CCC(=O)N1CC[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000953215907 809023824 /nfs/dbraw/zinc/02/38/24/809023824.db2.gz BUBZEZROIFPHLR-RKDXNWHRSA-N -1 0 321.337 -0.244 20 0 DBADRM CCC(=O)N1CC[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000953215901 809023937 /nfs/dbraw/zinc/02/39/37/809023937.db2.gz BUBZEZROIFPHLR-BDAKNGLRSA-N -1 0 321.337 -0.244 20 0 DBADRM CCC(=O)N1CC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000953226413 809025053 /nfs/dbraw/zinc/02/50/53/809025053.db2.gz IGASZLGXYFAFLG-UWVGGRQHSA-N -1 0 323.353 -0.451 20 0 DBADRM CC(=O)N1CC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000953392854 809038372 /nfs/dbraw/zinc/03/83/72/809038372.db2.gz XLOTYRXTBJXDKI-ZJUUUORDSA-N -1 0 309.326 -0.841 20 0 DBADRM CCC(=O)N(C)C1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000953430856 809043601 /nfs/dbraw/zinc/04/36/01/809043601.db2.gz OFCRTNRFWBDKTQ-UHFFFAOYSA-N -1 0 318.337 -0.850 20 0 DBADRM CN(C(=O)C1CCC1)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000953482880 809050786 /nfs/dbraw/zinc/05/07/86/809050786.db2.gz DPBUWDTYKAYLMB-UHFFFAOYSA-N -1 0 320.349 -0.431 20 0 DBADRM CC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000953496709 809052163 /nfs/dbraw/zinc/05/21/63/809052163.db2.gz YSJNXAJOPZCGPZ-IONNQARKSA-N -1 0 309.326 -0.198 20 0 DBADRM CN(C(=O)CC1CC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000953496849 809052497 /nfs/dbraw/zinc/05/24/97/809052497.db2.gz CRSMGJCBAZCVBW-UHFFFAOYSA-N -1 0 307.310 -0.634 20 0 DBADRM CC(C)n1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001038852540 815258471 /nfs/dbraw/zinc/25/84/71/815258471.db2.gz IDBWTBLFOWQUDP-VIFPVBQESA-N -1 0 320.357 -0.313 20 0 DBADRM CCn1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001038852698 815258610 /nfs/dbraw/zinc/25/86/10/815258610.db2.gz DHPJEEOAASPKLI-QMMMGPOBSA-N -1 0 306.330 -0.874 20 0 DBADRM CCn1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1 ZINC001038852697 815258744 /nfs/dbraw/zinc/25/87/44/815258744.db2.gz DHPJEEOAASPKLI-MRVPVSSYSA-N -1 0 306.330 -0.874 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)Cn3cccn3)C2)c1[O-] ZINC000953734176 809077782 /nfs/dbraw/zinc/07/77/82/809077782.db2.gz CZSPMEPHRBCXKS-UHFFFAOYSA-N -1 0 318.337 -0.397 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)Cc3cc[nH]n3)C2)c1[O-] ZINC000953941365 809132883 /nfs/dbraw/zinc/13/28/83/809132883.db2.gz WAPCOLZGSYJYIN-UHFFFAOYSA-N -1 0 318.337 -0.328 20 0 DBADRM COCc1nocc1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038916135 815265934 /nfs/dbraw/zinc/26/59/34/815265934.db2.gz YKSWHEKAMQWBFX-MRVPVSSYSA-N -1 0 322.325 -0.351 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)[C@H]3CCCO3)C2)c1[O-] ZINC000954068399 809154421 /nfs/dbraw/zinc/15/44/21/809154421.db2.gz NDSZNTXVOOYDNQ-SNVBAGLBSA-N -1 0 308.338 -0.114 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)Cn3ccnc3)C2)c1[O-] ZINC000954070631 809154797 /nfs/dbraw/zinc/15/47/97/809154797.db2.gz XCMCRMVYDXRGRY-UHFFFAOYSA-N -1 0 318.337 -0.397 20 0 DBADRM CN(C(=O)[C@H]1CC1(C)C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954078030 809156385 /nfs/dbraw/zinc/15/63/85/809156385.db2.gz FGPUMVDCDPTOER-MRVPVSSYSA-N -1 0 321.337 -0.388 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3ncc[nH]3)C2)c1[O-] ZINC000954224551 809194526 /nfs/dbraw/zinc/19/45/26/809194526.db2.gz XVNKFGXURMVSPI-UHFFFAOYSA-N -1 0 304.310 -0.257 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)[C@]34C[C@H]3COC4)C2)c1[O-] ZINC000954461385 809236090 /nfs/dbraw/zinc/23/60/90/809236090.db2.gz BIUYBBARWPZNRO-VFZGTOFNSA-N -1 0 320.349 -0.257 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038984636 815276147 /nfs/dbraw/zinc/27/61/47/815276147.db2.gz PSTIYGIUBCNFOX-VHSXEESVSA-N -1 0 322.369 -0.788 20 0 DBADRM CC[C@H](F)C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954877003 809304605 /nfs/dbraw/zinc/30/46/05/809304605.db2.gz JJVISIATPVBTFC-ZETCQYMHSA-N -1 0 313.289 -0.686 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)/C=C\C2CC2)C1 ZINC000954877060 809304977 /nfs/dbraw/zinc/30/49/77/809304977.db2.gz LPRQRQULXJQGPW-PLNGDYQASA-N -1 0 319.321 -0.468 20 0 DBADRM CC(C)=CC(=O)N1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000954951163 809316569 /nfs/dbraw/zinc/31/65/69/809316569.db2.gz MTGQWJGHILPQNX-UHFFFAOYSA-N -1 0 320.349 -0.265 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000954951267 809317254 /nfs/dbraw/zinc/31/72/54/809317254.db2.gz OGLNINHUBGWNSG-SCZZXKLOSA-N -1 0 320.349 -0.575 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C1CC1 ZINC000955466744 809420940 /nfs/dbraw/zinc/42/09/40/809420940.db2.gz SJGJBJZDGSEQQS-APPZFPTMSA-N -1 0 321.337 -0.198 20 0 DBADRM CCC(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](C)C1 ZINC000955762066 809441749 /nfs/dbraw/zinc/44/17/49/809441749.db2.gz PZMMGJFJZCCHEJ-DTWKUNHWSA-N -1 0 311.342 -0.405 20 0 DBADRM CN1C[C@H](C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)CCC1=O ZINC001039060575 815289241 /nfs/dbraw/zinc/28/92/41/815289241.db2.gz UDYKTPXPIUBWRN-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM CC(C)=CC(=O)N1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000955871744 809458134 /nfs/dbraw/zinc/45/81/34/809458134.db2.gz GZTDDQSZKFNRKN-VIFPVBQESA-N -1 0 321.337 -0.030 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]2CNC(=O)c2cnon2)c1[O-] ZINC000955969109 809472675 /nfs/dbraw/zinc/47/26/75/809472675.db2.gz TVVKJLVYJPHTGP-QMMMGPOBSA-N -1 0 320.309 -0.159 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H]1CNC(=O)C1CCC1 ZINC000956129963 809488932 /nfs/dbraw/zinc/48/89/32/809488932.db2.gz RIBYPYMNOMNBLF-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM CC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(C(=O)C2CC2)CC1 ZINC000956432535 809513343 /nfs/dbraw/zinc/51/33/43/809513343.db2.gz NHAJJIKSAXQAKV-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@]1(NC(=O)C2CCC2)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000956624568 809531563 /nfs/dbraw/zinc/53/15/63/809531563.db2.gz HCQYHYPLXPAIIT-AWEZNQCLSA-N -1 0 323.353 -0.403 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN(C(=O)c3cnon3)C2)c1[O-] ZINC000956829327 809554844 /nfs/dbraw/zinc/55/48/44/809554844.db2.gz YBSXWLPUJMUXQA-CYBMUJFWSA-N -1 0 320.309 -0.159 20 0 DBADRM O=C([C@H]1C[C@]12CCOC2)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957110899 809586679 /nfs/dbraw/zinc/58/66/79/809586679.db2.gz WVUWGZOVEPBKFB-YGRLFVJLSA-N -1 0 307.354 -0.419 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@](O)(C3CC3)C2)C1 ZINC000957134283 809590155 /nfs/dbraw/zinc/59/01/55/809590155.db2.gz NYLIIGGMXSXIRK-HUUCEWRRSA-N -1 0 310.350 -0.317 20 0 DBADRM CCCC(=O)N1CC[C@@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957234524 809607090 /nfs/dbraw/zinc/60/70/90/809607090.db2.gz HCJIFEYJLSTGCV-CYBMUJFWSA-N -1 0 309.326 -0.196 20 0 DBADRM C[C@@]1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(C(=O)CC2CC2)C1 ZINC000957235175 809608313 /nfs/dbraw/zinc/60/83/13/809608313.db2.gz WUYBCFGCNMVBIO-CQSZACIVSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000957275006 809615112 /nfs/dbraw/zinc/61/51/12/809615112.db2.gz YUUYWVURSGDXFH-NUPCCRGMSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C(F)F ZINC000957364220 809633119 /nfs/dbraw/zinc/63/31/19/809633119.db2.gz NHGIBMPSGSBJKU-RFZPGFLSSA-N -1 0 317.252 -0.875 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@](C)(NC(=O)c3cnon3)C2)c1[O-] ZINC000957400834 809637263 /nfs/dbraw/zinc/63/72/63/809637263.db2.gz UWFOLJUSRZUHCC-CYBMUJFWSA-N -1 0 320.309 -0.159 20 0 DBADRM COc1c(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cnn1C ZINC000957474109 809647448 /nfs/dbraw/zinc/64/74/48/809647448.db2.gz MDOWVMWJNXEKPE-UHFFFAOYSA-N -1 0 321.341 -0.790 20 0 DBADRM Cc1nccc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000957688253 809665174 /nfs/dbraw/zinc/66/51/74/809665174.db2.gz KGUQJKLZICUVGT-UHFFFAOYSA-N -1 0 303.326 -0.433 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957815491 809681563 /nfs/dbraw/zinc/68/15/63/809681563.db2.gz KBHWLQIWTGYWAB-UYXSQOIJSA-N -1 0 321.337 -0.485 20 0 DBADRM CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC000957818232 809682492 /nfs/dbraw/zinc/68/24/92/809682492.db2.gz KKVGBJPHEISSFC-YIZRAAEISA-N -1 0 321.337 -0.198 20 0 DBADRM CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnc([O-])n(C)c1=O)C2 ZINC000957828248 809684013 /nfs/dbraw/zinc/68/40/13/809684013.db2.gz OGZZAYRXVMFCEG-DCAQKATOSA-N -1 0 320.349 -0.385 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cccs1 ZINC000957838998 809688454 /nfs/dbraw/zinc/68/84/54/809688454.db2.gz VYQUOYRXLNDRBF-BDAKNGLRSA-N -1 0 323.378 -0.206 20 0 DBADRM Cc1ccc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)o1 ZINC000957851941 809691907 /nfs/dbraw/zinc/69/19/07/809691907.db2.gz PGCBJHUBODJUEX-NXEZZACHSA-N -1 0 321.337 -0.366 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cscn1 ZINC000957915769 809716553 /nfs/dbraw/zinc/71/65/53/809716553.db2.gz XXWGSTDENKAPLK-APPZFPTMSA-N -1 0 324.366 -0.811 20 0 DBADRM Cn1ccc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1 ZINC000957974663 809731817 /nfs/dbraw/zinc/73/18/17/809731817.db2.gz HGXLSSPWPUPORV-WDEREUQCSA-N -1 0 320.353 -0.929 20 0 DBADRM Cc1cnc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)cn1 ZINC000958146490 809781659 /nfs/dbraw/zinc/78/16/59/809781659.db2.gz BNQPWGSUXBBGLP-GDGBQDQQSA-N -1 0 315.337 -0.531 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cc(F)c[nH]1 ZINC000958278487 809840315 /nfs/dbraw/zinc/84/03/15/809840315.db2.gz VFVRFRKPZMDCFB-GMSGAONNSA-N -1 0 324.316 -0.800 20 0 DBADRM C[C@H](C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)n1cccn1 ZINC000958290216 809844389 /nfs/dbraw/zinc/84/43/89/809844389.db2.gz YRNMNRMTKUKMPU-SVDPJWKOSA-N -1 0 317.353 -0.486 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cncs1 ZINC000958336497 809865056 /nfs/dbraw/zinc/86/50/56/809865056.db2.gz PPBOCRUFWCERMY-MTBHXBHISA-N -1 0 306.351 -0.173 20 0 DBADRM CC(=O)N(C)[C@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@@H]1O ZINC000958343956 809869443 /nfs/dbraw/zinc/86/94/43/809869443.db2.gz FZBJBOICJIVSQC-UWVGGRQHSA-N -1 0 320.305 -0.408 20 0 DBADRM Cn1cc(CC(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)cn1 ZINC000958384866 809888518 /nfs/dbraw/zinc/88/85/18/809888518.db2.gz ZUULOWWDIQGCTK-IWIIMEHWSA-N -1 0 317.353 -0.967 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(Cc4cnn(C)n4)C[C@H]32)c1[O-] ZINC000958583640 809967556 /nfs/dbraw/zinc/96/75/56/809967556.db2.gz MXXBNEZWOAFCTJ-URLYPYJESA-N -1 0 317.353 -0.588 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(CC(=O)NC4CC4)C[C@H]32)c1[O-] ZINC000958584717 809967737 /nfs/dbraw/zinc/96/77/37/809967737.db2.gz UQSPURLCOOTKMH-IAZYJMLFSA-N -1 0 319.365 -0.638 20 0 DBADRM Cc1nc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)co1 ZINC000958654290 809994654 /nfs/dbraw/zinc/99/46/54/809994654.db2.gz IAQXKIVONRMACJ-VROVMSAKSA-N -1 0 304.310 -0.333 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@H]1CCCOCC1 ZINC000958725108 810013285 /nfs/dbraw/zinc/01/32/85/810013285.db2.gz YOAMFIUDBMNTIC-MEWQQHAOSA-N -1 0 321.381 -0.127 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[C@@H]3C)C2)c1[O-] ZINC000958919921 810062589 /nfs/dbraw/zinc/06/25/89/810062589.db2.gz BEJSBXVRTNJARS-ASXGKARISA-N -1 0 322.365 -0.277 20 0 DBADRM CCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000958982571 810075454 /nfs/dbraw/zinc/07/54/54/810075454.db2.gz BWBSOLBKLPCDFS-JGVFFNPUSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N1CC[C@H]([C@H](C)NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000958987560 810076045 /nfs/dbraw/zinc/07/60/45/810076045.db2.gz NFUJJXSPLVPYCB-WPRPVWTQSA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000959001759 810076093 /nfs/dbraw/zinc/07/60/93/810076093.db2.gz USGBLQRDMDLLOL-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H]2CCN(C(=O)CC(N)=O)C2)c1[O-] ZINC000959095647 810079982 /nfs/dbraw/zinc/07/99/82/810079982.db2.gz PHXDJVGPDSMSCY-CBAPKCEASA-N -1 0 323.353 -0.734 20 0 DBADRM C[C@@H](NC(=O)C1CC1)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000959226406 810086391 /nfs/dbraw/zinc/08/63/91/810086391.db2.gz WFNCGQKSNCEFDZ-APPZFPTMSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1CN(C(=O)C2CC2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000959304801 810094346 /nfs/dbraw/zinc/09/43/46/810094346.db2.gz PLXHWFYUIIVTAO-VXNVDRBHSA-N -1 0 321.337 -0.483 20 0 DBADRM CCCC(=O)N1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC000959337511 810096541 /nfs/dbraw/zinc/09/65/41/810096541.db2.gz JYYAZRAAKPAHAM-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM CC(C)C(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000959373645 810097234 /nfs/dbraw/zinc/09/72/34/810097234.db2.gz HWHWQKPNBNFDMW-BDAKNGLRSA-N -1 0 323.353 -0.237 20 0 DBADRM CC(C)C(=O)N1C[C@H](C)[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000959373651 810097309 /nfs/dbraw/zinc/09/73/09/810097309.db2.gz HWHWQKPNBNFDMW-IUCAKERBSA-N -1 0 323.353 -0.237 20 0 DBADRM CC(C)C(=O)N1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC000959373655 810097324 /nfs/dbraw/zinc/09/73/24/810097324.db2.gz HWHWQKPNBNFDMW-RKDXNWHRSA-N -1 0 323.353 -0.237 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@H]1C ZINC000959469060 810104352 /nfs/dbraw/zinc/10/43/52/810104352.db2.gz AWLALBNNIQDUIV-KOLCDFICSA-N -1 0 317.349 -0.133 20 0 DBADRM O=C(Cc1cncs1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000960417594 810174658 /nfs/dbraw/zinc/17/46/58/810174658.db2.gz DLUBALRBQDAOEV-GDGBQDQQSA-N -1 0 320.378 -0.244 20 0 DBADRM Cc1noc(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)c1C ZINC000960460753 810177478 /nfs/dbraw/zinc/17/74/78/810177478.db2.gz CPNHFKPGFHMWQR-JZYVYDRUSA-N -1 0 318.337 -0.025 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC000960485701 810179282 /nfs/dbraw/zinc/17/92/82/810179282.db2.gz DWEQZRMBHSFVCB-NXEZZACHSA-N -1 0 322.369 -0.788 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)[C@H]1COC(=O)N1 ZINC000960597082 810185837 /nfs/dbraw/zinc/18/58/37/810185837.db2.gz OHFVLJNNAAJGQQ-RKDXNWHRSA-N -1 0 324.341 -0.959 20 0 DBADRM COCC(=O)N1CC[C@]2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001040029493 815349660 /nfs/dbraw/zinc/34/96/60/815349660.db2.gz OEIHVFCRDZWKOB-CQSZACIVSA-N -1 0 309.370 -0.029 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)Cn1cncn1 ZINC000961003308 810216831 /nfs/dbraw/zinc/21/68/31/810216831.db2.gz SJQGZHHUOIMPRV-SNVBAGLBSA-N -1 0 320.357 -0.775 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)Cn1ccnc1 ZINC000961034937 810218132 /nfs/dbraw/zinc/21/81/32/810218132.db2.gz BAJSIZXIJDEFNM-LLVKDONJSA-N -1 0 319.369 -0.170 20 0 DBADRM CO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2C1 ZINC000961135267 810234879 /nfs/dbraw/zinc/23/48/79/810234879.db2.gz FMFAMZQUMHEHFV-MXWKQRLJSA-N -1 0 322.365 -0.011 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)[C@@H](C)C3CC3)[C@@H](O)C2)c1[O-] ZINC000962101128 810444182 /nfs/dbraw/zinc/44/41/82/810444182.db2.gz FMXKATOZLYNHSF-XROYCOCOSA-N -1 0 322.365 -0.229 20 0 DBADRM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCCOC1 ZINC000962166623 810462644 /nfs/dbraw/zinc/46/26/44/810462644.db2.gz ORTSQZUQLRFQHT-MAWWSGROSA-N -1 0 321.381 -0.127 20 0 DBADRM Cc1conc1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000962216921 810477160 /nfs/dbraw/zinc/47/71/60/810477160.db2.gz SEVCNULTEUSXFL-VROVMSAKSA-N -1 0 304.310 -0.333 20 0 DBADRM CCC(=O)N[C@H]1CC12CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC000962223643 810477874 /nfs/dbraw/zinc/47/78/74/810477874.db2.gz NGJYNCUHZIYOGV-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000962279865 810495080 /nfs/dbraw/zinc/49/50/80/810495080.db2.gz KWWBUDSEKQZUOW-IIDWOEFGSA-N -1 0 317.305 -0.926 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C(C)(C)F)C[C@@H]2O)c1[O-] ZINC000962302709 810502220 /nfs/dbraw/zinc/50/22/20/810502220.db2.gz ISFBBTSZGSWZGC-SFYZADRCSA-N -1 0 314.317 -0.527 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3=CCCC3)C[C@@H]2O)c1[O-] ZINC000962303658 810502967 /nfs/dbraw/zinc/50/29/67/810502967.db2.gz OOSBDWBFUIZTGS-MNOVXSKESA-N -1 0 320.349 -0.164 20 0 DBADRM Cc1nccn1CC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000962571848 810555612 /nfs/dbraw/zinc/55/56/12/810555612.db2.gz GQGPQUQNGCIELP-IWIIMEHWSA-N -1 0 317.353 -0.738 20 0 DBADRM CC(=O)N1CCC2(C[C@H]2NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000964481291 810779640 /nfs/dbraw/zinc/77/96/40/810779640.db2.gz QHTKQRFNMBVBMD-MRVPVSSYSA-N -1 0 307.310 -0.586 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cn1cccn1 ZINC000965149689 810838945 /nfs/dbraw/zinc/83/89/45/810838945.db2.gz JGTVBRKJCSKNMQ-MNOVXSKESA-N -1 0 319.369 -0.266 20 0 DBADRM CCC(=O)N[C@H]1COC2(CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC000965572894 810908677 /nfs/dbraw/zinc/90/86/77/810908677.db2.gz WVEYNLXYISJYTQ-SECBINFHSA-N -1 0 308.338 -0.067 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC000965801067 810971201 /nfs/dbraw/zinc/97/12/01/810971201.db2.gz OIEUSRVJTMPSMR-MWLCHTKSSA-N -1 0 319.369 -0.197 20 0 DBADRM CNC(=O)CN1CC[C@@H](C)[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000965915493 810986847 /nfs/dbraw/zinc/98/68/47/810986847.db2.gz CFYMIAKYLVRNJZ-SCZZXKLOSA-N -1 0 309.370 -0.390 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ncn(C)n1 ZINC000965995581 811001701 /nfs/dbraw/zinc/00/17/01/811001701.db2.gz HAEHXQGMVGZBAG-RKDXNWHRSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000966017939 811005254 /nfs/dbraw/zinc/00/52/54/811005254.db2.gz JGQIXKIRVDUCQU-CRCLSJGQSA-N -1 0 317.252 -0.875 20 0 DBADRM C[C@H]1CN(C(=O)C2CCC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000966029053 811006097 /nfs/dbraw/zinc/00/60/97/811006097.db2.gz KKWYPZMIMQZXMH-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@H]1CN(C(=O)C2CC2)C[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000966035989 811006767 /nfs/dbraw/zinc/00/67/67/811006767.db2.gz INVTZLLTYULEFL-XPUUQOCRSA-N -1 0 307.310 -0.731 20 0 DBADRM C[C@H]1CN(C(=O)C2(C)CC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000966490689 811084698 /nfs/dbraw/zinc/08/46/98/811084698.db2.gz NBENNURTKIIIHZ-JGVFFNPUSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C1(C)CC1 ZINC000966638183 811112572 /nfs/dbraw/zinc/11/25/72/811112572.db2.gz QMYSQRCHABFMOK-JGVFFNPUSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NC(=O)C1(C)CC1 ZINC000966638184 811112832 /nfs/dbraw/zinc/11/28/32/811112832.db2.gz QMYSQRCHABFMOK-SFYZADRCSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1NC(=O)C1CC1 ZINC000966654236 811115423 /nfs/dbraw/zinc/11/54/23/811115423.db2.gz VSVFFKAFNPBLMW-APPZFPTMSA-N -1 0 309.326 -0.938 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000966685295 811122858 /nfs/dbraw/zinc/12/28/58/811122858.db2.gz RCDZHSCLYDOETM-GZMMTYOYSA-N -1 0 318.337 -0.946 20 0 DBADRM CC(=O)N(C)C[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000967201838 811222029 /nfs/dbraw/zinc/22/20/29/811222029.db2.gz ADKFBVLLCUYDNZ-SNVBAGLBSA-N -1 0 311.342 -0.594 20 0 DBADRM CC(=O)N(C)C[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000967201837 811222619 /nfs/dbraw/zinc/22/26/19/811222619.db2.gz ADKFBVLLCUYDNZ-JTQLQIEISA-N -1 0 311.342 -0.594 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](N(C)C(=O)C(N)=O)CC2)c1[O-] ZINC000967648071 811273797 /nfs/dbraw/zinc/27/37/97/811273797.db2.gz ICRZCBRDIZBPKR-SECBINFHSA-N -1 0 323.353 -0.638 20 0 DBADRM CCCC(=O)N1CC(N(CC)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000968171805 811358158 /nfs/dbraw/zinc/35/81/58/811358158.db2.gz QVCZPNHXYDQUEW-UHFFFAOYSA-N -1 0 309.326 -0.244 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1c[nH]cn1 ZINC000968361373 811393860 /nfs/dbraw/zinc/39/38/60/811393860.db2.gz WDYHHCIPKNRTTB-MWLCHTKSSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cnn(C)n1 ZINC000968412434 811401806 /nfs/dbraw/zinc/40/18/06/811401806.db2.gz AMCHYYGUVPKIGX-SCZZXKLOSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1nnc[nH]1 ZINC000968439770 811409703 /nfs/dbraw/zinc/40/97/03/811409703.db2.gz LVZJOOGSRIUHJB-HTQZYQBOSA-N -1 0 306.330 -0.731 20 0 DBADRM Cn1ncc(CN[C@@H]2CCN(C(=O)c3ncccc3O)C2)n1 ZINC000968478270 811421816 /nfs/dbraw/zinc/42/18/16/811421816.db2.gz MIDFQJBGVYPRNW-SNVBAGLBSA-N -1 0 302.338 -0.080 20 0 DBADRM Cn1cnnc1CN[C@@H]1CCN(C(=O)c2ncccc2O)C1 ZINC000968478302 811421871 /nfs/dbraw/zinc/42/18/71/811421871.db2.gz NZWQJLMFEHTQDX-SNVBAGLBSA-N -1 0 302.338 -0.080 20 0 DBADRM O=C(Cc1cncnc1)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC000968522857 811433575 /nfs/dbraw/zinc/43/35/75/811433575.db2.gz MKRFCJRYIOQJLN-SNVBAGLBSA-N -1 0 303.326 -0.767 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccn(C)n1 ZINC000968646577 811464183 /nfs/dbraw/zinc/46/41/83/811464183.db2.gz FBHLSHYWLRQPHA-MWLCHTKSSA-N -1 0 319.369 -0.116 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ccn(C)n1 ZINC000968646575 811464190 /nfs/dbraw/zinc/46/41/90/811464190.db2.gz FBHLSHYWLRQPHA-KOLCDFICSA-N -1 0 319.369 -0.116 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cn1ccnc1 ZINC000968702126 811479397 /nfs/dbraw/zinc/47/93/97/811479397.db2.gz KVXRDEPCTGTEAE-WDEREUQCSA-N -1 0 319.369 -0.266 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)Cn1ccnc1 ZINC000968702125 811479540 /nfs/dbraw/zinc/47/95/40/811479540.db2.gz KVXRDEPCTGTEAE-QWRGUYRKSA-N -1 0 319.369 -0.266 20 0 DBADRM Cn1[nH]c(CN[C@@H]2CCN(C(=O)c3ccns3)C2)nc1=O ZINC000968831903 811499075 /nfs/dbraw/zinc/49/90/75/811499075.db2.gz SRHUWKHQHWBAJJ-MRVPVSSYSA-N -1 0 308.367 -0.431 20 0 DBADRM C[C@H](N[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1)c1nnnn1C ZINC000969034781 811536658 /nfs/dbraw/zinc/53/66/58/811536658.db2.gz JOBHHLGWRVNLBI-DTWKUNHWSA-N -1 0 318.341 -0.729 20 0 DBADRM Cc1ccc(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC000971522916 811572047 /nfs/dbraw/zinc/57/20/47/811572047.db2.gz QBMFZYUQJPDMPE-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3c[nH]cn3)C2)c1[O-] ZINC000974032104 811580349 /nfs/dbraw/zinc/58/03/49/811580349.db2.gz HMDKQKUVKMBBTF-DTORHVGOSA-N -1 0 318.337 -0.233 20 0 DBADRM O=C(N[C@H]1CCC[C@@H](NC(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000983397180 811592615 /nfs/dbraw/zinc/59/26/15/811592615.db2.gz CQKUTMWHBXRTNU-BDAKNGLRSA-N -1 0 321.337 -0.150 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@@H]3CCCOC3)C2)c1[O-] ZINC000990448610 811642689 /nfs/dbraw/zinc/64/26/89/811642689.db2.gz YHHDEAQXOXOTHB-SECBINFHSA-N -1 0 308.338 -0.209 20 0 DBADRM C[C@@H](C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000990682514 811742243 /nfs/dbraw/zinc/74/22/43/811742243.db2.gz PAIONDKANGRQJQ-SSDOTTSWSA-N -1 0 309.326 -0.938 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1=CCCC1 ZINC000990809439 811771956 /nfs/dbraw/zinc/77/19/56/811771956.db2.gz KXVVJQXQBMXRPW-UHFFFAOYSA-N -1 0 305.294 -0.666 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cn(C)cn3)C2)c1[O-] ZINC000990823905 811776235 /nfs/dbraw/zinc/77/62/35/811776235.db2.gz QBXXUEKVAQRPPN-UHFFFAOYSA-N -1 0 304.310 -0.588 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1[O-] ZINC000990853070 811789878 /nfs/dbraw/zinc/78/98/78/811789878.db2.gz DIUHIMNUINNPDL-MYJAWHEDSA-N -1 0 306.322 -0.743 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3cc(C)ncn3)C[C@H]2O)c1[O-] ZINC001040975846 815475373 /nfs/dbraw/zinc/47/53/73/815475373.db2.gz MRGOIBAJUJNSDZ-NXEZZACHSA-N -1 0 318.337 -0.498 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)Cc3[nH]cnc3C)C2)c1[O-] ZINC000990859310 811790673 /nfs/dbraw/zinc/79/06/73/811790673.db2.gz IOFAYVCAILWDQA-UHFFFAOYSA-N -1 0 318.337 -0.361 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CCO[C@H]3C)C2)c1[O-] ZINC000990858660 811790860 /nfs/dbraw/zinc/79/08/60/811790860.db2.gz GRUZBGGDVDLFQT-WCBMZHEXSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cn(C)nc3C)C2)c1[O-] ZINC000990862989 811791393 /nfs/dbraw/zinc/79/13/93/811791393.db2.gz ACCISRHBEKVQES-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@H]3CO[C@H](C)C3)C2)c1[O-] ZINC000990861274 811791424 /nfs/dbraw/zinc/79/14/24/811791424.db2.gz TWOQGMHJVDEZFT-VXNVDRBHSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@@H](C)n3cccn3)C2)c1[O-] ZINC000990864183 811792636 /nfs/dbraw/zinc/79/26/36/811792636.db2.gz KFFUEYAGOHAYNC-SECBINFHSA-N -1 0 318.337 -0.178 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cc[n+]([O-])cc3)C2)c1[O-] ZINC000990863195 811792653 /nfs/dbraw/zinc/79/26/53/811792653.db2.gz DIFZMKNNVDCFJI-UHFFFAOYSA-N -1 0 317.305 -0.688 20 0 DBADRM Cc1cc(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)nn1C ZINC000990865307 811793692 /nfs/dbraw/zinc/79/36/92/811793692.db2.gz OWQVJWNCBRJPPZ-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM CCn1ccnc1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990865332 811793775 /nfs/dbraw/zinc/79/37/75/811793775.db2.gz PAXSZANAMZLSLX-UHFFFAOYSA-N -1 0 318.337 -0.105 20 0 DBADRM Cc1nc(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)co1 ZINC000990865444 811793885 /nfs/dbraw/zinc/79/38/85/811793885.db2.gz PUPJXYGXLSWWBL-UHFFFAOYSA-N -1 0 305.294 -0.025 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)C[C@H]3CCCO3)C2)c1[O-] ZINC000990866663 811793957 /nfs/dbraw/zinc/79/39/57/811793957.db2.gz XSFAOODUKCIGHR-SNVBAGLBSA-N -1 0 308.338 -0.067 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3cc[nH]c(=O)c3)C2)c1[O-] ZINC000990865880 811794118 /nfs/dbraw/zinc/79/41/18/811794118.db2.gz RLAVXGJGQOYNPE-UHFFFAOYSA-N -1 0 317.305 -0.221 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)Cn3cccn3)C2)c1[O-] ZINC000990866021 811794154 /nfs/dbraw/zinc/79/41/54/811794154.db2.gz SLSWSMQZMGOKEF-UHFFFAOYSA-N -1 0 304.310 -0.739 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)CCc3cn[nH]c3)C2)c1[O-] ZINC000990869022 811795048 /nfs/dbraw/zinc/79/50/48/811795048.db2.gz SJMKONHKAHSRSU-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM COc1cc(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)on1 ZINC000990943289 811821330 /nfs/dbraw/zinc/82/13/30/811821330.db2.gz WZJJCPIYEPPDJW-UHFFFAOYSA-N -1 0 321.293 -0.325 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C3CCC3)[C@@H](O)C2)c1[O-] ZINC000991177720 811936719 /nfs/dbraw/zinc/93/67/19/811936719.db2.gz GSABNOIAIVPMNY-QWRGUYRKSA-N -1 0 322.365 -0.085 20 0 DBADRM CC(C)C(=O)N[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@H]1C ZINC001004528633 811992633 /nfs/dbraw/zinc/99/26/33/811992633.db2.gz FOOFMYHKZDAUIX-BDAKNGLRSA-N -1 0 323.353 -0.094 20 0 DBADRM CCC(=O)N1CC[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001005083758 812028482 /nfs/dbraw/zinc/02/84/82/812028482.db2.gz FEPWEPOBDQRNJG-HTQZYQBOSA-N -1 0 309.326 -0.340 20 0 DBADRM CN(C(=O)c1cc[nH]n1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005133037 812032133 /nfs/dbraw/zinc/03/21/33/812032133.db2.gz FJYHAQLUXRDFBN-UHFFFAOYSA-N -1 0 305.342 -0.030 20 0 DBADRM CN(C(=O)[C@@H]1COC(=O)N1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005334346 812060680 /nfs/dbraw/zinc/06/06/80/812060680.db2.gz NFVZKNHVHYZFTC-VIFPVBQESA-N -1 0 324.341 -0.959 20 0 DBADRM CN(C(=O)c1cn(C)nn1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005349690 812062057 /nfs/dbraw/zinc/06/20/57/812062057.db2.gz SUASWJYHMKRCLG-UHFFFAOYSA-N -1 0 320.357 -0.625 20 0 DBADRM CC(=O)N1CC([C@@H](C)NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001006107756 812158579 /nfs/dbraw/zinc/15/85/79/812158579.db2.gz GSXRBSVQVSXFKD-MRVPVSSYSA-N -1 0 303.322 -0.381 20 0 DBADRM CCCC(=O)N1CC([C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006489800 812212539 /nfs/dbraw/zinc/21/25/39/812212539.db2.gz BUOMNEFUSNGOGY-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC001006495007 812212962 /nfs/dbraw/zinc/21/29/62/812212962.db2.gz QMFADNATOCPMDW-OOZYFLPDSA-N -1 0 321.337 -0.485 20 0 DBADRM Cn1[nH]c(CN2CCC[C@H](NC(=O)C3CCOCC3)C2)nc1=O ZINC001006549638 812216152 /nfs/dbraw/zinc/21/61/52/812216152.db2.gz YTZOLLVYJOWCNY-LBPRGKRZSA-N -1 0 323.397 -0.384 20 0 DBADRM CC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cnc([O-])n(C)c1=O)C2 ZINC001006810426 812249081 /nfs/dbraw/zinc/24/90/81/812249081.db2.gz LXUXAZKDUCOTOY-BONVTDFDSA-N -1 0 320.349 -0.383 20 0 DBADRM Cc1cnn(CC(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001006854395 812252570 /nfs/dbraw/zinc/25/25/70/812252570.db2.gz QEWRWDWINFVEGK-LLVKDONJSA-N -1 0 319.369 -0.204 20 0 DBADRM Cc1nn(C)cc1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001006939781 812259044 /nfs/dbraw/zinc/25/90/44/812259044.db2.gz QDFBFGQYAUZLPN-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007111937 812267445 /nfs/dbraw/zinc/26/74/45/812267445.db2.gz LWJUBUJGLVIMNH-NXEZZACHSA-N -1 0 323.353 -0.456 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3cnnn3C)C2)c1[O-] ZINC001007122769 812268774 /nfs/dbraw/zinc/26/87/74/812268774.db2.gz SZJWSGKYCJONGI-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN([C@H]3CCCNC3=O)C2)c1[O-] ZINC001007133907 812270016 /nfs/dbraw/zinc/27/00/16/812270016.db2.gz JVOVTSSGQJMDKG-MNOVXSKESA-N -1 0 321.381 -0.103 20 0 DBADRM Cn1cnc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001007274452 812292063 /nfs/dbraw/zinc/29/20/63/812292063.db2.gz UZBLUNILTPXAJJ-MRVPVSSYSA-N -1 0 306.330 -0.967 20 0 DBADRM O=C(C[C@@H]1CCNC1=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007488164 812315504 /nfs/dbraw/zinc/31/55/04/812315504.db2.gz LJGJZDYBJFCWTO-VHSXEESVSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1csnn1 ZINC001008098369 812383178 /nfs/dbraw/zinc/38/31/78/812383178.db2.gz VQFGTPAKTFVWAV-SSDOTTSWSA-N -1 0 309.355 -0.244 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008122153 812385072 /nfs/dbraw/zinc/38/50/72/812385072.db2.gz KRMHGUHWSQHKPQ-SECBINFHSA-N -1 0 305.342 -0.064 20 0 DBADRM Cc1cnn(C)c1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008230773 812403704 /nfs/dbraw/zinc/40/37/04/812403704.db2.gz RVDDZDZJYPGLPT-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001008232758 812404719 /nfs/dbraw/zinc/40/47/19/812404719.db2.gz OVBTVSYONMVWQF-SVDPJWKOSA-N -1 0 307.354 -0.517 20 0 DBADRM O=C(Cc1cnoc1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008277694 812408506 /nfs/dbraw/zinc/40/85/06/812408506.db2.gz VEXUNADKWIJHLJ-JTQLQIEISA-N -1 0 306.326 -0.178 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@]1(F)CCOC1 ZINC001008302648 812410741 /nfs/dbraw/zinc/41/07/41/812410741.db2.gz IWVHQNQBGWLZCD-RNCFNFMXSA-N -1 0 313.333 -0.281 20 0 DBADRM Cc1ncc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC001008311540 812412321 /nfs/dbraw/zinc/41/23/21/812412321.db2.gz UDOCTJHBWWBZAL-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM CC(=O)NC[C@@H]1[C@H]2CN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001008653905 812455083 /nfs/dbraw/zinc/45/50/83/812455083.db2.gz SYUYWRODVHUQSD-OWUUHHOZSA-N -1 0 321.337 -0.944 20 0 DBADRM O=C(Cc1ncc[nH]1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008985354 812495617 /nfs/dbraw/zinc/49/56/17/812495617.db2.gz FDYMQLCIHPMYFD-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001009347986 812533732 /nfs/dbraw/zinc/53/37/32/812533732.db2.gz VSLWFOKULPAYPM-SNVBAGLBSA-N -1 0 319.369 -0.135 20 0 DBADRM CCC(=O)N1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001009887166 812600681 /nfs/dbraw/zinc/60/06/81/812600681.db2.gz FZYAQKSAEMBLFA-JGVFFNPUSA-N -1 0 309.326 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2C[C@H](C)N(C(=O)CC(N)=O)C2)c1[O-] ZINC001010075810 812616844 /nfs/dbraw/zinc/61/68/44/812616844.db2.gz HUAZQDPFDJAMBV-CBAPKCEASA-N -1 0 323.353 -0.734 20 0 DBADRM Cc1nnsc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010122148 812627826 /nfs/dbraw/zinc/62/78/26/812627826.db2.gz FBKLTKAQYCSZIH-ZETCQYMHSA-N -1 0 309.355 -0.325 20 0 DBADRM C[C@@H]1C[C@@H](CNC(=O)C2CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001010237948 812641592 /nfs/dbraw/zinc/64/15/92/812641592.db2.gz NLOZSZFGLXGHFZ-BDAKNGLRSA-N -1 0 323.353 -0.548 20 0 DBADRM CCc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001010294798 812656247 /nfs/dbraw/zinc/65/62/47/812656247.db2.gz RDEJUEXFQDIRMW-VIFPVBQESA-N -1 0 305.342 -0.200 20 0 DBADRM Cc1cnn(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001010343608 812666126 /nfs/dbraw/zinc/66/61/26/812666126.db2.gz HPICYCXNJUXSMU-SNVBAGLBSA-N -1 0 305.342 -0.594 20 0 DBADRM Cc1cnn(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001010343607 812666226 /nfs/dbraw/zinc/66/62/26/812666226.db2.gz HPICYCXNJUXSMU-JTQLQIEISA-N -1 0 305.342 -0.594 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)N(C)C3CC3)C2)c1[O-] ZINC001010548434 812715755 /nfs/dbraw/zinc/71/57/55/812715755.db2.gz UFVAFIPUSHFUSX-JTQLQIEISA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3cnnn3C)C2)c1[O-] ZINC001010620475 812727460 /nfs/dbraw/zinc/72/74/60/812727460.db2.gz NIVROBKBPWEEAG-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN([C@@H]3CCCNC3=O)C2)c1[O-] ZINC001010628677 812728422 /nfs/dbraw/zinc/72/84/22/812728422.db2.gz LDYFTKRIZVMIDE-NXEZZACHSA-N -1 0 307.354 -0.494 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001010693342 812743908 /nfs/dbraw/zinc/74/39/08/812743908.db2.gz YIBOERYBPHWFAE-RKDXNWHRSA-N -1 0 306.330 -0.947 20 0 DBADRM CC(=O)N1CCCC2(CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC001010749599 812760263 /nfs/dbraw/zinc/76/02/63/812760263.db2.gz IIJQOHIPXBKWMT-UHFFFAOYSA-N -1 0 307.310 -0.633 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)Cc3ccon3)CC2)c1[O-] ZINC001010763877 812762698 /nfs/dbraw/zinc/76/26/98/812762698.db2.gz URNQUVQSBCBBPU-UHFFFAOYSA-N -1 0 319.321 -0.061 20 0 DBADRM CC(=O)N1CCCC2(CN(C(=O)c3cnc([O-])n(C)c3=O)C2)C1 ZINC001010764111 812762722 /nfs/dbraw/zinc/76/27/22/812762722.db2.gz GTQRFDBIRFNVQD-UHFFFAOYSA-N -1 0 320.349 -0.430 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1 ZINC001010767317 812763553 /nfs/dbraw/zinc/76/35/53/812763553.db2.gz MLDGBLUVXUCZDK-JTQLQIEISA-N -1 0 303.326 -0.387 20 0 DBADRM O=C(Cc1cncnc1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001010800703 812772012 /nfs/dbraw/zinc/77/20/12/812772012.db2.gz NEMXBRMTTGHWDC-JTQLQIEISA-N -1 0 303.326 -0.767 20 0 DBADRM O=C(C=C1CCC1)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001010977534 812805329 /nfs/dbraw/zinc/80/53/29/812805329.db2.gz XEPDFMOHOSRQGF-UHFFFAOYSA-N -1 0 321.337 -0.530 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H]1C ZINC001011351413 812883652 /nfs/dbraw/zinc/88/36/52/812883652.db2.gz XNAWUYBCKNZYPZ-KWQFWETISA-N -1 0 318.337 -0.803 20 0 DBADRM C[C@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C1CC1 ZINC001011356351 812884075 /nfs/dbraw/zinc/88/40/75/812884075.db2.gz YNIJMMJBIYATIM-CBAPKCEASA-N -1 0 309.326 -0.795 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C1CC1 ZINC001011355262 812884272 /nfs/dbraw/zinc/88/42/72/812884272.db2.gz OTOQHCSYEBTLPB-POYBYMJQSA-N -1 0 307.310 -0.588 20 0 DBADRM CCCC(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001011399902 812888933 /nfs/dbraw/zinc/88/89/33/812888933.db2.gz DBRUFKWRUJACJA-YUMQZZPRSA-N -1 0 309.326 -0.198 20 0 DBADRM CC(C)=CC(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001011447766 812893995 /nfs/dbraw/zinc/89/39/95/812893995.db2.gz OGGWQLQSDJAGKF-DTWKUNHWSA-N -1 0 321.337 -0.032 20 0 DBADRM CC(C)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001011508858 812903496 /nfs/dbraw/zinc/90/34/96/812903496.db2.gz GFJNIBKBPPCGCQ-IUCAKERBSA-N -1 0 311.342 -0.549 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001011736870 812938852 /nfs/dbraw/zinc/93/88/52/812938852.db2.gz ULHVMSMYODUHFZ-IUCAKERBSA-N -1 0 321.337 -0.387 20 0 DBADRM CC[C@@H](F)C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001011737537 812938976 /nfs/dbraw/zinc/93/89/76/812938976.db2.gz HZQQFMCIOOXPIE-SSDOTTSWSA-N -1 0 313.289 -0.685 20 0 DBADRM C[C@@H]1C[C@H]1CC(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001011736868 812939274 /nfs/dbraw/zinc/93/92/74/812939274.db2.gz ULHVMSMYODUHFZ-BDAKNGLRSA-N -1 0 321.337 -0.387 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001011736871 812939440 /nfs/dbraw/zinc/93/94/40/812939440.db2.gz ULHVMSMYODUHFZ-RKDXNWHRSA-N -1 0 321.337 -0.387 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)[C@H]1C ZINC001011759604 812942876 /nfs/dbraw/zinc/94/28/76/812942876.db2.gz CNMUHDDQNGKJSB-KWQFWETISA-N -1 0 303.322 -0.238 20 0 DBADRM CCC(=O)N[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001011878079 812963481 /nfs/dbraw/zinc/96/34/81/812963481.db2.gz XWHVXSHVFFINJJ-DTWKUNHWSA-N -1 0 323.353 -0.269 20 0 DBADRM C[C@@H]1[C@H](NC(=O)C2CCC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001011929282 812973027 /nfs/dbraw/zinc/97/30/27/812973027.db2.gz GWSSNLTVUGQENK-VXNVDRBHSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@H]1[C@@H](NC(=O)C2CCC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001011943247 812973527 /nfs/dbraw/zinc/97/35/27/812973527.db2.gz IXAONDXJJFKFCK-WPRPVWTQSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@H]1[C@@H](NC(=O)C2CC2)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001011948177 812974820 /nfs/dbraw/zinc/97/48/20/812974820.db2.gz MYTKXGVXXPEJIO-KWQFWETISA-N -1 0 320.349 -0.385 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnon3)[C@@H]2C)c1[O-] ZINC001011990313 812986570 /nfs/dbraw/zinc/98/65/70/812986570.db2.gz FKLKTQBDIXWHSY-HTQZYQBOSA-N -1 0 320.309 -0.160 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1C(=O)C1CC1 ZINC001012129284 813015199 /nfs/dbraw/zinc/01/51/99/813015199.db2.gz RKXRRACDOZEGKO-IONNQARKSA-N -1 0 309.326 -0.795 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)CC1CC1 ZINC001012160100 813018109 /nfs/dbraw/zinc/01/81/09/813018109.db2.gz NYODLUIUECHRDW-CBAPKCEASA-N -1 0 321.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3cn[nH]n3)C2)c1[O-] ZINC001013139305 813108643 /nfs/dbraw/zinc/10/86/43/813108643.db2.gz CFXIPVRJUDIBSD-SVRRBLITSA-N -1 0 319.325 -0.425 20 0 DBADRM C[C@H]1C[C@H](NC(=O)CC2CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013416184 813138752 /nfs/dbraw/zinc/13/87/52/813138752.db2.gz YZNWEWRJTPZUNI-CBAPKCEASA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C2CCC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013420438 813139714 /nfs/dbraw/zinc/13/97/14/813139714.db2.gz CTSMRMZMGPGKKY-IONNQARKSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C(F)F)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013426342 813140207 /nfs/dbraw/zinc/14/02/07/813140207.db2.gz ZFDJFBUSLZCEGI-WHFBIAKZSA-N -1 0 317.252 -0.733 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C2(C)CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013487787 813141626 /nfs/dbraw/zinc/14/16/26/813141626.db2.gz NRRXAVYEVGJPRA-RKDXNWHRSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(=O)N[C@@]12CCC[C@H]1N(C(=O)c1cnc([O-])n(C)c1=O)CC2 ZINC001014116035 813210768 /nfs/dbraw/zinc/21/07/68/813210768.db2.gz VQQSKKWJLOACEA-IAQYHMDHSA-N -1 0 320.349 -0.241 20 0 DBADRM CC(=O)N[C@]12CCC[C@@H]1N(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC001014116102 813211008 /nfs/dbraw/zinc/21/10/08/813211008.db2.gz WAILPLOKNSBRJS-ZANVPECISA-N -1 0 309.326 -0.651 20 0 DBADRM CC(=O)N[C@@]12CCC[C@@H]1N(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC001014116101 813211014 /nfs/dbraw/zinc/21/10/14/813211014.db2.gz WAILPLOKNSBRJS-TVQRCGJNSA-N -1 0 309.326 -0.651 20 0 DBADRM CC(=O)N1CC[C@@]2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CCC[C@H]12 ZINC001014355820 813222701 /nfs/dbraw/zinc/22/27/01/813222701.db2.gz RHOFXZLBEVHSHL-ZANVPECISA-N -1 0 309.326 -0.651 20 0 DBADRM CC(=O)N1CC[C@]2(NC(=O)c3cnc([O-])n(C)c3=O)CCC[C@H]12 ZINC001014364605 813223558 /nfs/dbraw/zinc/22/35/58/813223558.db2.gz XJOKZCBCPVXJKY-XHDPSFHLSA-N -1 0 320.349 -0.241 20 0 DBADRM Cc1ccc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001014406103 813232211 /nfs/dbraw/zinc/23/22/11/813232211.db2.gz IGSLEAGFFZCSLY-VIFPVBQESA-N -1 0 303.326 -0.387 20 0 DBADRM COc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)ncn1 ZINC001014436565 813242314 /nfs/dbraw/zinc/24/23/14/813242314.db2.gz BKDKAQCSSZYBNB-QMMMGPOBSA-N -1 0 319.325 -0.687 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cn2c(n1)CCC2 ZINC001014480029 813253075 /nfs/dbraw/zinc/25/30/75/813253075.db2.gz NVCQPBUCGUHHPX-VIFPVBQESA-N -1 0 317.353 -0.343 20 0 DBADRM C[C@@H]1[C@H](NC(=O)C2CC2)CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001014680365 813292231 /nfs/dbraw/zinc/29/22/31/813292231.db2.gz QSCLVPVOKJMSQH-VXNVDRBHSA-N -1 0 321.337 -0.198 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc[nH]c1=O ZINC001014874841 813329442 /nfs/dbraw/zinc/32/94/42/813329442.db2.gz POQSLQKTLAORHW-ZETCQYMHSA-N -1 0 305.298 -0.990 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)[C@H]2C)c1[O-] ZINC001014876282 813330165 /nfs/dbraw/zinc/33/01/65/813330165.db2.gz DWGWXYLZSKYHCM-YUMQZZPRSA-N -1 0 309.326 -0.982 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)CC(N)=O)[C@H]2C)c1[O-] ZINC001014880411 813330543 /nfs/dbraw/zinc/33/05/43/813330543.db2.gz WWZUYNWMCUAYRH-IUCAKERBSA-N -1 0 323.353 -0.592 20 0 DBADRM C[C@]1(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCNC(=O)C1 ZINC001014920329 813334618 /nfs/dbraw/zinc/33/46/18/813334618.db2.gz MTOPVMRWSVWCGH-XPTSAGLGSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(N[C@H]1CCN(Cc2ccccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015110784 813370401 /nfs/dbraw/zinc/37/04/01/813370401.db2.gz WNDCGJMKFSAZLI-JTQLQIEISA-N -1 0 316.321 -0.318 20 0 DBADRM Cc1oncc1CN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015110901 813371366 /nfs/dbraw/zinc/37/13/66/813371366.db2.gz YHZQYRAWDBXJCL-VIFPVBQESA-N -1 0 320.309 -0.416 20 0 DBADRM O=C(N[C@H]1CCN(Cc2cncs2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001015119674 813373035 /nfs/dbraw/zinc/37/30/35/813373035.db2.gz MNJCTYFCWGWMAS-ZETCQYMHSA-N -1 0 322.350 -0.256 20 0 DBADRM Cc1cc(C)n(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001015174440 813381039 /nfs/dbraw/zinc/38/10/39/813381039.db2.gz NJLGCSVYJKWMLN-NSHDSACASA-N -1 0 319.369 -0.286 20 0 DBADRM COc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001015219498 813393536 /nfs/dbraw/zinc/39/35/36/813393536.db2.gz YXKGSKGZTGMOMB-MRVPVSSYSA-N -1 0 321.341 -0.743 20 0 DBADRM CCOc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001015295294 813402846 /nfs/dbraw/zinc/40/28/46/813402846.db2.gz VCGMNFHGIMXCHZ-MRVPVSSYSA-N -1 0 322.325 -0.099 20 0 DBADRM CCOc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001015295295 813403745 /nfs/dbraw/zinc/40/37/45/813403745.db2.gz VCGMNFHGIMXCHZ-QMMMGPOBSA-N -1 0 322.325 -0.099 20 0 DBADRM CCn1cc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001015358808 813411755 /nfs/dbraw/zinc/41/17/55/813411755.db2.gz ZGVRDKUNSYYXDE-VIFPVBQESA-N -1 0 320.357 -0.945 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCNC(=O)CC1 ZINC001015405024 813419584 /nfs/dbraw/zinc/41/95/84/813419584.db2.gz UGZWJMDFFBFGQG-VHSXEESVSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1csc(=O)[nH]1 ZINC001015585073 813467368 /nfs/dbraw/zinc/46/73/68/813467368.db2.gz PEUGMQSZOLXAGR-LURJTMIESA-N -1 0 310.339 -0.323 20 0 DBADRM Cc1nc(C)c(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001015724618 813514037 /nfs/dbraw/zinc/51/40/37/813514037.db2.gz SQDGIHPQBNWZML-SECBINFHSA-N -1 0 305.342 -0.145 20 0 DBADRM O=C(Cc1cscn1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015801080 813527845 /nfs/dbraw/zinc/52/78/45/813527845.db2.gz KJQUKEXGPCCZCL-QMMMGPOBSA-N -1 0 308.367 -0.100 20 0 DBADRM Cc1cc(=O)c(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c[nH]1 ZINC001015939592 813568946 /nfs/dbraw/zinc/56/89/46/813568946.db2.gz WCQXPYCQTXDSNA-VIFPVBQESA-N -1 0 318.337 -0.489 20 0 DBADRM CNC(=O)CN1CC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001015988818 813582187 /nfs/dbraw/zinc/58/21/87/813582187.db2.gz FXUVMCVGEQFGHT-QMMMGPOBSA-N -1 0 319.321 -0.522 20 0 DBADRM NC(=O)CN1CC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001015989822 813582327 /nfs/dbraw/zinc/58/23/27/813582327.db2.gz ZIRIWPQUXKJIDI-ZETCQYMHSA-N -1 0 305.294 -0.782 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(Cc2ccns2)C1 ZINC001016110658 813599534 /nfs/dbraw/zinc/59/95/34/813599534.db2.gz LTDQDJYUNHRXJY-QMMMGPOBSA-N -1 0 324.366 -0.464 20 0 DBADRM Cc1oncc1CN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016110239 813600061 /nfs/dbraw/zinc/60/00/61/813600061.db2.gz KIUDYMNMGJDLPS-JTQLQIEISA-N -1 0 322.325 -0.624 20 0 DBADRM COc1c(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001016118163 813601433 /nfs/dbraw/zinc/60/14/33/813601433.db2.gz AQBIYUIPWYINEW-QMMMGPOBSA-N -1 0 321.341 -0.743 20 0 DBADRM CC(=O)N1CC[C@@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001016128064 813602987 /nfs/dbraw/zinc/60/29/87/813602987.db2.gz LQVBVLPZLYHCDX-MNOVXSKESA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1nn(C)c(F)c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016131029 813604823 /nfs/dbraw/zinc/60/48/23/813604823.db2.gz NOVQXQKJMNWZIP-MRVPVSSYSA-N -1 0 323.332 -0.304 20 0 DBADRM CN(C(=O)C1CC1)C1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016152665 813609434 /nfs/dbraw/zinc/60/94/34/813609434.db2.gz CCRWZLIVRCCYFD-UHFFFAOYSA-N -1 0 309.326 -0.795 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001016359381 813658848 /nfs/dbraw/zinc/65/88/48/813658848.db2.gz IGOGYTZXPYBQCC-WDEREUQCSA-N -1 0 322.369 -0.788 20 0 DBADRM CN(C(=O)C1(C)CC1)C1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001016606265 813695738 /nfs/dbraw/zinc/69/57/38/813695738.db2.gz HXEGEMBHTUEOCG-UHFFFAOYSA-N -1 0 321.337 -0.198 20 0 DBADRM CC(=O)NC1CC(N(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001016863381 813731320 /nfs/dbraw/zinc/73/13/20/813731320.db2.gz OFVCDFGQXBVGNK-UHFFFAOYSA-N -1 0 318.337 -0.803 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CC(N(C)C(=O)c3cnon3)C2)c1[O-] ZINC001016916022 813742432 /nfs/dbraw/zinc/74/24/32/813742432.db2.gz XUFXODYBYRUKOP-UHFFFAOYSA-N -1 0 320.309 -0.160 20 0 DBADRM NC(=O)C(=O)N1CC=C(CNC(=O)c2ccccc2O)CC1 ZINC001017302495 813781053 /nfs/dbraw/zinc/78/10/53/813781053.db2.gz OYONZHLWVHXHNY-UHFFFAOYSA-N -1 0 303.318 -0.234 20 0 DBADRM CC(=O)N1CC=C(CNC(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001017460574 813797950 /nfs/dbraw/zinc/79/79/50/813797950.db2.gz CNRCYAKWGVXLGQ-UHFFFAOYSA-N -1 0 315.333 -0.069 20 0 DBADRM CC[C@H](C(N)=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-] ZINC001017480332 813799209 /nfs/dbraw/zinc/79/92/09/813799209.db2.gz MKJRTLPPKHUQGI-OUAUKWLOSA-N -1 0 321.381 -0.024 20 0 DBADRM CNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-] ZINC001017480488 813799405 /nfs/dbraw/zinc/79/94/05/813799405.db2.gz NZXQKOKOSJIREA-MXWKQRLJSA-N -1 0 321.381 -0.153 20 0 DBADRM CC(C)C(=O)N1CC=C(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001017593305 813811615 /nfs/dbraw/zinc/81/16/15/813811615.db2.gz MAQVBVMZQDLIRD-UHFFFAOYSA-N -1 0 321.337 -0.173 20 0 DBADRM CC(=O)N1CC=C(CNC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001017617675 813814886 /nfs/dbraw/zinc/81/48/86/813814886.db2.gz HETGNEFTJXZUTO-UHFFFAOYSA-N -1 0 306.322 -0.606 20 0 DBADRM CC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001017878600 813846910 /nfs/dbraw/zinc/84/69/10/813846910.db2.gz YDPPTHMELUJBEN-PSASIEDQSA-N -1 0 308.338 -0.385 20 0 DBADRM CC(=O)N[C@@H]1CC[C@H](C)N(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001017881034 813847413 /nfs/dbraw/zinc/84/74/13/813847413.db2.gz XWMQBXWJBKDHLN-WCBMZHEXSA-N -1 0 323.353 -0.269 20 0 DBADRM CCC(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@H]1C ZINC001018288320 813887008 /nfs/dbraw/zinc/88/70/08/813887008.db2.gz IRARKFXAUZPMSE-SFYZADRCSA-N -1 0 309.326 -0.198 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C1CC1 ZINC001018289736 813887158 /nfs/dbraw/zinc/88/71/58/813887158.db2.gz NIQDBHYULZONIG-IONNQARKSA-N -1 0 321.337 -0.198 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@@H]1C ZINC001018596900 813935794 /nfs/dbraw/zinc/93/57/94/813935794.db2.gz GSAPHZVKHUGQBK-IONNQARKSA-N -1 0 309.326 -0.483 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)C(N)=O)CC[C@H]2C)c1[O-] ZINC001018619246 813939726 /nfs/dbraw/zinc/93/97/26/813939726.db2.gz PHFVCYCKBUKSGF-APPZFPTMSA-N -1 0 323.353 -0.877 20 0 DBADRM CCCC(=O)N1CCC2(CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC001019222622 814093978 /nfs/dbraw/zinc/09/39/78/814093978.db2.gz KHVOHFXNUSLSPU-UHFFFAOYSA-N -1 0 321.337 -0.243 20 0 DBADRM CCCC(=O)N1CCC2(CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC001019241066 814103435 /nfs/dbraw/zinc/10/34/35/814103435.db2.gz LJNVJDNLVSNKLZ-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM CC(=O)N(C)C[C@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001019781802 814233209 /nfs/dbraw/zinc/23/32/09/814233209.db2.gz WLHGTYJFDIJMLK-SNVBAGLBSA-N -1 0 311.342 -0.451 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](N[C@@H](C)c3nnnn3C)C2)c1[O-] ZINC001020079560 814286839 /nfs/dbraw/zinc/28/68/39/814286839.db2.gz ZNUJYWNXJHVUBD-CIUDSAMLSA-N -1 0 320.357 -0.441 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001020079369 814287709 /nfs/dbraw/zinc/28/77/09/814287709.db2.gz QCWMVWPUEWZKRG-LJGSYFOKSA-N -1 0 307.314 -0.702 20 0 DBADRM Cc1cnc(CN[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001020353181 814361358 /nfs/dbraw/zinc/36/13/58/814361358.db2.gz SQWQBRNCRDMBKI-ZKCHVHJHSA-N -1 0 320.309 -0.370 20 0 DBADRM Cc1cc(CN[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)no1 ZINC001020352991 814361937 /nfs/dbraw/zinc/36/19/37/814361937.db2.gz KGEIXWWHFNNXIK-ZKCHVHJHSA-N -1 0 320.309 -0.370 20 0 DBADRM Cc1n[nH]nc1C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033318437 814470210 /nfs/dbraw/zinc/47/02/10/814470210.db2.gz MHFWQMOEHJZRBG-MRVPVSSYSA-N -1 0 306.330 -0.717 20 0 DBADRM CN(C(=O)[C@@H]1CCC(=O)N1C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033347238 814485173 /nfs/dbraw/zinc/48/51/73/814485173.db2.gz XDVLLHCPKOHJBI-UWVGGRQHSA-N -1 0 322.369 -0.836 20 0 DBADRM CN(C(=O)[C@]1(F)CCOC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033367136 814488685 /nfs/dbraw/zinc/48/86/85/814488685.db2.gz FDEXWURNNNOUKI-RNCFNFMXSA-N -1 0 313.333 -0.328 20 0 DBADRM CN(C(=O)C[C@H]1CCC(=O)N1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033490871 814520105 /nfs/dbraw/zinc/52/01/05/814520105.db2.gz MQFDRSDPVDIRQD-ZJUUUORDSA-N -1 0 322.369 -0.788 20 0 DBADRM Cc1c[nH]c(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001033493869 814521532 /nfs/dbraw/zinc/52/15/32/814521532.db2.gz ASAFOBMGIXLISB-SECBINFHSA-N -1 0 305.342 -0.112 20 0 DBADRM CN(C(=O)c1ccncn1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033512262 814527007 /nfs/dbraw/zinc/52/70/07/814527007.db2.gz HWTDFBUYSYHWSJ-VIFPVBQESA-N -1 0 303.326 -0.353 20 0 DBADRM CN(C(=O)[C@]1(C)CCOC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033536262 814535537 /nfs/dbraw/zinc/53/55/37/814535537.db2.gz KWKDZKBEYFSXHM-QMTHXVAHSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1nccc(C(=O)N(C)[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001033671967 814570238 /nfs/dbraw/zinc/57/02/38/814570238.db2.gz RQZOEUVMSMLFHT-SNVBAGLBSA-N -1 0 317.353 -0.045 20 0 DBADRM Cc1nonc1C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033707251 814577592 /nfs/dbraw/zinc/57/75/92/814577592.db2.gz XXYQPUJKMIKXDU-QMMMGPOBSA-N -1 0 307.314 -0.452 20 0 DBADRM CCN(C(=O)C1=COCCO1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033743239 814582168 /nfs/dbraw/zinc/58/21/68/814582168.db2.gz QZYMUAGHRSSUAC-SNVBAGLBSA-N -1 0 323.353 -0.179 20 0 DBADRM O=C(N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cn[nH]n1 ZINC001034286073 814660208 /nfs/dbraw/zinc/66/02/08/814660208.db2.gz PIYUCMRUWWEFAO-QMMMGPOBSA-N -1 0 306.330 -0.587 20 0 DBADRM O=C(N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCNC1=O ZINC001034345214 814667073 /nfs/dbraw/zinc/66/70/73/814667073.db2.gz NJUVHGPXXRNPIL-UWVGGRQHSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001034357982 814669772 /nfs/dbraw/zinc/66/97/72/814669772.db2.gz KKPBJUPGOHWWBJ-DCQANWLSSA-N -1 0 321.381 -0.127 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034404172 814677472 /nfs/dbraw/zinc/67/74/72/814677472.db2.gz HLKVCYYEMIVVQW-AEJSXWLSSA-N -1 0 322.369 -0.898 20 0 DBADRM O=C(N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)c1nnc[nH]1 ZINC001034449609 814683955 /nfs/dbraw/zinc/68/39/55/814683955.db2.gz YUTGTTWIBKOJPJ-QMMMGPOBSA-N -1 0 306.330 -0.587 20 0 DBADRM O=C(Cc1ncc[nH]1)N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034462258 814685081 /nfs/dbraw/zinc/68/50/81/814685081.db2.gz JTHKWUFLAOPCBQ-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(Cc1ncc[nH]1)N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034462261 814685327 /nfs/dbraw/zinc/68/53/27/814685327.db2.gz JTHKWUFLAOPCBQ-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCCN(CCF)C1 ZINC001034510310 814692238 /nfs/dbraw/zinc/69/22/38/814692238.db2.gz HQSGUAGHODIYCE-SECBINFHSA-N -1 0 301.322 -0.371 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]2CNCc2cn(C)nn2)c1[O-] ZINC001034908734 814742185 /nfs/dbraw/zinc/74/21/85/814742185.db2.gz OLBMARWYXIIRLI-LLVKDONJSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]2CNCc2nnnn2C)c1[O-] ZINC001034908795 814742302 /nfs/dbraw/zinc/74/23/02/814742302.db2.gz PSAUSLMCIFLUMC-SECBINFHSA-N -1 0 320.357 -0.658 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)on1 ZINC001035281939 814876372 /nfs/dbraw/zinc/87/63/72/814876372.db2.gz RBACSVIYRURQMN-SECBINFHSA-N -1 0 322.325 -0.562 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ccon1 ZINC001035311161 814888346 /nfs/dbraw/zinc/88/83/46/814888346.db2.gz PVBZBFFRMDTJJE-MRVPVSSYSA-N -1 0 308.298 -0.871 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1cscn1 ZINC001035317025 814891179 /nfs/dbraw/zinc/89/11/79/814891179.db2.gz OHHHJGRGHFGRJE-MRVPVSSYSA-N -1 0 324.366 -0.402 20 0 DBADRM Cc1ncc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)[nH]1 ZINC001035318356 814892165 /nfs/dbraw/zinc/89/21/65/814892165.db2.gz UTAWESYVHMGVRE-SECBINFHSA-N -1 0 321.341 -0.827 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)C1=CCCC1 ZINC001035331001 814895445 /nfs/dbraw/zinc/89/54/45/814895445.db2.gz DQVMFTZPRYIHMB-NSHDSACASA-N -1 0 307.354 -0.062 20 0 DBADRM Cn1ccc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)c1 ZINC001035333285 814896384 /nfs/dbraw/zinc/89/63/84/814896384.db2.gz IQZOSDGOAXQMHB-NSHDSACASA-N -1 0 320.353 -0.520 20 0 DBADRM COC[C@H](C)N1CCO[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001035342935 814898946 /nfs/dbraw/zinc/89/89/46/814898946.db2.gz MRCZPHJTNCNPPU-GXSJLCMTSA-N -1 0 312.370 -0.111 20 0 DBADRM COC[C@H](C)N1CCO[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001035342941 814899337 /nfs/dbraw/zinc/89/93/37/814899337.db2.gz MRCZPHJTNCNPPU-ONGXEEELSA-N -1 0 312.370 -0.111 20 0 DBADRM CO[C@@H](C)CN1CCO[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001035344865 814900273 /nfs/dbraw/zinc/90/02/73/814900273.db2.gz XXVOETKRTYKPFX-ONGXEEELSA-N -1 0 312.370 -0.111 20 0 DBADRM O=C(c1nc[nH]n1)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041747409 815712311 /nfs/dbraw/zinc/71/23/11/815712311.db2.gz SVFJFMKXCZKIOA-ZDUSSCGKSA-N -1 0 318.341 -0.633 20 0 DBADRM O=C(c1cn[nH]c1)N1CC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001041954846 815779803 /nfs/dbraw/zinc/77/98/03/815779803.db2.gz REJIOELWTVAQFF-GXSJLCMTSA-N -1 0 317.353 -0.030 20 0 DBADRM O=C(c1ncc[nH]1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001042051975 815812168 /nfs/dbraw/zinc/81/21/68/815812168.db2.gz QFHGTBFJJXEHAZ-ZJUUUORDSA-N -1 0 317.353 -0.030 20 0 DBADRM O=C(c1ncc[nH]1)N1CC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001042051974 815812424 /nfs/dbraw/zinc/81/24/24/815812424.db2.gz QFHGTBFJJXEHAZ-VHSXEESVSA-N -1 0 317.353 -0.030 20 0 DBADRM O=C(c1cn[nH]n1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001042131945 815836936 /nfs/dbraw/zinc/83/69/36/815836936.db2.gz ZRVMMWIYUOBGGX-PSASIEDQSA-N -1 0 318.341 -0.635 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C3CC3)C2)c1[O-] ZINC001042372484 815897564 /nfs/dbraw/zinc/89/75/64/815897564.db2.gz IVCQBESUJLIVJP-QMMMGPOBSA-N -1 0 322.365 -0.227 20 0 DBADRM C/C=C(\C)C(=O)NCC1(O)CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001042431316 815911321 /nfs/dbraw/zinc/91/13/21/815911321.db2.gz RRIUBAOKIKMDBY-XBXARRHUSA-N -1 0 308.338 -0.307 20 0 DBADRM CN(C(=O)c1cc[n+]([O-])cc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042441734 815914050 /nfs/dbraw/zinc/91/40/50/815914050.db2.gz LYIWASGJUPVHQX-UHFFFAOYSA-N -1 0 304.310 -0.900 20 0 DBADRM CN(C(=O)Cc1cnn(C)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042533647 815940553 /nfs/dbraw/zinc/94/05/53/815940553.db2.gz VVDOCGOWVHCPAQ-UHFFFAOYSA-N -1 0 305.342 -0.871 20 0 DBADRM Cc1nn(C)cc1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042548116 815948063 /nfs/dbraw/zinc/94/80/63/815948063.db2.gz JEYOIDGEVKTWLY-UHFFFAOYSA-N -1 0 305.342 -0.491 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)c3cocn3)C2)c1[O-] ZINC001042573072 815955952 /nfs/dbraw/zinc/95/59/52/815955952.db2.gz VMMXPNXLIWAQIR-UHFFFAOYSA-N -1 0 321.293 -0.971 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C3CC3)C2)c1[O-] ZINC001042571930 815956244 /nfs/dbraw/zinc/95/62/44/815956244.db2.gz BQMDRBPLHURDQB-QMMMGPOBSA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)c3ccoc3)C2)c1[O-] ZINC001042572174 815956330 /nfs/dbraw/zinc/95/63/30/815956330.db2.gz HSGIQANWIYHWOB-UHFFFAOYSA-N -1 0 320.305 -0.366 20 0 DBADRM C/C=C(\C)C(=O)N1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001042573286 815956534 /nfs/dbraw/zinc/95/65/34/815956534.db2.gz YOMCYYMXPJWDNR-XBXARRHUSA-N -1 0 308.338 -0.307 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)CC3(C)CC3)C2)c1[O-] ZINC001042579942 815958911 /nfs/dbraw/zinc/95/89/11/815958911.db2.gz GBXOTQSVFUMFEJ-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)C[C@H]3C[C@@H]3C)C2)c1[O-] ZINC001042575885 815959144 /nfs/dbraw/zinc/95/91/44/815959144.db2.gz FPLHEONARDSHGC-WCBMZHEXSA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(CCN3CCCC3=O)C2)c1[O-] ZINC001042607862 815965234 /nfs/dbraw/zinc/96/52/34/815965234.db2.gz VCTYTUBXFXCVAW-UHFFFAOYSA-N -1 0 321.381 -0.198 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN([C@@H]3CCCNC3=O)C2)c1[O-] ZINC001042619393 815970003 /nfs/dbraw/zinc/97/00/03/815970003.db2.gz BAPXJRWRGWMGFF-SNVBAGLBSA-N -1 0 307.354 -0.541 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(Cc3cn(C)nn3)C2)c1[O-] ZINC001042619439 815970250 /nfs/dbraw/zinc/97/02/50/815970250.db2.gz DKFWTBXNAXYWRF-UHFFFAOYSA-N -1 0 305.342 -0.491 20 0 DBADRM CCn1ccnc1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042667210 815986806 /nfs/dbraw/zinc/98/68/06/815986806.db2.gz BCFKHMBQHMOHMM-UHFFFAOYSA-N -1 0 305.342 -0.317 20 0 DBADRM CN(C(=O)[C@H]1CCCOCC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042670413 815987869 /nfs/dbraw/zinc/98/78/69/815987869.db2.gz CHRZDDQOWAJWMG-JTQLQIEISA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C(=O)C1CCC(O)CC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042672613 815988984 /nfs/dbraw/zinc/98/89/84/815988984.db2.gz NQXBDPIELPRRAC-UHFFFAOYSA-N -1 0 309.370 -0.296 20 0 DBADRM Cc1ccc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001042707180 816001930 /nfs/dbraw/zinc/00/19/30/816001930.db2.gz IXGMZRCTTFJRHG-UHFFFAOYSA-N -1 0 303.326 -0.435 20 0 DBADRM COc1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)sn1 ZINC001042743223 816014857 /nfs/dbraw/zinc/01/48/57/816014857.db2.gz IPCUVZHSHQRKFS-UHFFFAOYSA-N -1 0 324.366 -0.068 20 0 DBADRM CCN1C[C@H](C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001042841979 816042334 /nfs/dbraw/zinc/04/23/34/816042334.db2.gz QMVBPZMZRHWFNJ-SECBINFHSA-N -1 0 322.369 -0.979 20 0 DBADRM CN(C(=O)c1cc2n(n1)CCC2)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042857571 816047398 /nfs/dbraw/zinc/04/73/98/816047398.db2.gz LDTYFEXTWAVQNC-UHFFFAOYSA-N -1 0 317.353 -0.391 20 0 DBADRM Cc1c(CC(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001042878199 816052163 /nfs/dbraw/zinc/05/21/63/816052163.db2.gz BLOQZKQGQVPHQQ-UHFFFAOYSA-N -1 0 319.369 -0.562 20 0 DBADRM CN(C(=O)Cc1cncs1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042999722 816090931 /nfs/dbraw/zinc/09/09/31/816090931.db2.gz IUNFNYNCRIDVBK-UHFFFAOYSA-N -1 0 308.367 -0.148 20 0 DBADRM CN(C(=O)[C@H]1CCN(C)C(=O)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043113151 816114860 /nfs/dbraw/zinc/11/48/60/816114860.db2.gz MVGPUGKOQRFHDJ-VIFPVBQESA-N -1 0 322.369 -0.979 20 0 DBADRM CN(C(=O)Cc1ccc(F)cn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043119659 816118946 /nfs/dbraw/zinc/11/89/46/816118946.db2.gz KOWGYKZBRMXFOP-UHFFFAOYSA-N -1 0 320.328 -0.070 20 0 DBADRM CCc1n[nH]cc1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043200044 816141009 /nfs/dbraw/zinc/14/10/09/816141009.db2.gz JVRMWFORYSDYKL-UHFFFAOYSA-N -1 0 305.342 -0.248 20 0 DBADRM Cc1ncc(CN2CC(N(C)C(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001043231320 816149759 /nfs/dbraw/zinc/14/97/59/816149759.db2.gz ZZWRJABBJGJRSP-UHFFFAOYSA-N -1 0 320.309 -0.464 20 0 DBADRM CCn1cc(CC(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001043425974 816186971 /nfs/dbraw/zinc/18/69/71/816186971.db2.gz ITIIWOZNYOCBRZ-UHFFFAOYSA-N -1 0 320.357 -0.993 20 0 DBADRM CC[C@@H](F)CN1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001043509628 816206830 /nfs/dbraw/zinc/20/68/30/816206830.db2.gz HSSPKDMQSLJYAU-SECBINFHSA-N -1 0 312.345 -0.010 20 0 DBADRM CN(C(=O)c1csc(=O)[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043582296 816228818 /nfs/dbraw/zinc/22/88/18/816228818.db2.gz KQOYVCLKVBPZAO-UHFFFAOYSA-N -1 0 310.339 -0.371 20 0 DBADRM C[C@@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cncnc1 ZINC001043615740 816234514 /nfs/dbraw/zinc/23/45/14/816234514.db2.gz CKTDQSYYELDOQU-SECBINFHSA-N -1 0 317.353 -0.253 20 0 DBADRM CN(C(=O)C(N)=O)C1CN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC001043713043 816257419 /nfs/dbraw/zinc/25/74/19/816257419.db2.gz DDXZACPQYPHMNS-UHFFFAOYSA-N -1 0 321.362 -0.475 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2O)c1[O-] ZINC001043892676 816307945 /nfs/dbraw/zinc/30/79/45/816307945.db2.gz DQTGRFRSKLWSRY-BDAKNGLRSA-N -1 0 322.300 -0.668 20 0 DBADRM CN(C(=O)c1c[n-]n2c1nccc2=O)C1CN(CCCO)C1 ZINC001044020589 816336733 /nfs/dbraw/zinc/33/67/33/816336733.db2.gz YWTCUNUHLIVOAP-UHFFFAOYSA-N -1 0 305.338 -0.839 20 0 DBADRM C[C@H]1C[C@H](C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)CCO1 ZINC001044097573 816356400 /nfs/dbraw/zinc/35/64/00/816356400.db2.gz KFPSZEONVZVRBF-VHSXEESVSA-N -1 0 309.370 -0.032 20 0 DBADRM CN(C(=O)[C@@H]1C[C@]12CCOC2)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044155350 816373821 /nfs/dbraw/zinc/37/38/21/816373821.db2.gz TWHMGVDVSKJDLP-HZMBPMFUSA-N -1 0 307.354 -0.421 20 0 DBADRM CN(C(=O)c1ccc2oc(=O)nc-2[n-]1)C1CN(CC(N)=O)C1 ZINC001044181979 816381308 /nfs/dbraw/zinc/38/13/08/816381308.db2.gz MFHVWAZYYKNVHD-UHFFFAOYSA-N -1 0 305.294 -0.830 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(Cc2ccccn2)C1 ZINC001044231637 816388213 /nfs/dbraw/zinc/38/82/13/816388213.db2.gz WMLWZHMGTXFBEW-UHFFFAOYSA-N -1 0 318.337 -0.573 20 0 DBADRM Cc1cc(CN2CC(N(C)C(=O)Cn3c(=O)[n-][nH]c3=O)C2)no1 ZINC001044231420 816388727 /nfs/dbraw/zinc/38/87/27/816388727.db2.gz RLQONFIYFQOSKT-UHFFFAOYSA-N -1 0 322.325 -0.671 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(Cc2cncs2)C1 ZINC001044237194 816390341 /nfs/dbraw/zinc/39/03/41/816390341.db2.gz XPYOSFYVCMDBDY-UHFFFAOYSA-N -1 0 324.366 -0.511 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]2CNCc2cnn(C)n2)c1[O-] ZINC001044999551 816538321 /nfs/dbraw/zinc/53/83/21/816538321.db2.gz ZWMFRFZTRJEGNG-NSHDSACASA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1nonc1C(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001045652163 816672081 /nfs/dbraw/zinc/67/20/81/816672081.db2.gz PMMZCSGLZJHNKA-UHFFFAOYSA-N -1 0 321.341 -0.014 20 0 DBADRM C[C@]1(NC(=O)c2ccc(=O)[nH]n2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046125285 816762563 /nfs/dbraw/zinc/76/25/63/816762563.db2.gz QUYBPHMFFNIJHX-ZDUSSCGKSA-N -1 0 319.325 -0.600 20 0 DBADRM C[C@@]1(NC(=O)[C@@H]2COCCO2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046154258 816767788 /nfs/dbraw/zinc/76/77/88/816767788.db2.gz XDRBBQISVQKJQZ-TVQRCGJNSA-N -1 0 311.342 -0.994 20 0 DBADRM Cc1cc(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001046176688 816771912 /nfs/dbraw/zinc/77/19/12/816771912.db2.gz DYQTUNMQOROBBQ-AWEZNQCLSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1cc(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1C ZINC001046175332 816771976 /nfs/dbraw/zinc/77/19/76/816771976.db2.gz HNROIQOCOABLLX-AWEZNQCLSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(Cc3nnnn3C)C2)c1[O-] ZINC001046246838 816793190 /nfs/dbraw/zinc/79/31/90/816793190.db2.gz QQERQMPWYKPTNM-ZDUSSCGKSA-N -1 0 320.357 -0.658 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN(Cc3nnnn3C)C2)c1[O-] ZINC001046246837 816793256 /nfs/dbraw/zinc/79/32/56/816793256.db2.gz QQERQMPWYKPTNM-CYBMUJFWSA-N -1 0 320.357 -0.658 20 0 DBADRM Cn1cnc(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001046296848 816810499 /nfs/dbraw/zinc/81/04/99/816810499.db2.gz UBDDNYGGKUGUHU-LBPRGKRZSA-N -1 0 306.330 -0.967 20 0 DBADRM Cn1cnc(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001046296847 816810912 /nfs/dbraw/zinc/81/09/12/816810912.db2.gz UBDDNYGGKUGUHU-GFCCVEGCSA-N -1 0 306.330 -0.967 20 0 DBADRM C[C@@]1(NC(=O)c2cn[nH]c(=O)c2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046399344 816837658 /nfs/dbraw/zinc/83/76/58/816837658.db2.gz GWRUNMKOMISEQU-CYBMUJFWSA-N -1 0 319.325 -0.600 20 0 DBADRM Cc1cnn(C)c1C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046552085 816883843 /nfs/dbraw/zinc/88/38/43/816883843.db2.gz RXHQWRGEFGLXHB-CQSZACIVSA-N -1 0 319.369 -0.053 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046569476 816890466 /nfs/dbraw/zinc/89/04/66/816890466.db2.gz ZGELDGLHQVKSPY-OTYXRUKQSA-N -1 0 322.369 -0.788 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001046691628 816922740 /nfs/dbraw/zinc/92/27/40/816922740.db2.gz XYCUAVRGTUHLJM-CYBMUJFWSA-N -1 0 305.342 -0.064 20 0 DBADRM C[C@@]1(NC(=O)c2cccnn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046723032 816933688 /nfs/dbraw/zinc/93/36/88/816933688.db2.gz XMUZZZHFIDOFTO-CYBMUJFWSA-N -1 0 303.326 -0.305 20 0 DBADRM CN(C(=O)c1cccnc1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047282138 817035962 /nfs/dbraw/zinc/03/59/62/817035962.db2.gz GPKWWSSRNWVYNP-QWRGUYRKSA-N -1 0 318.337 -0.777 20 0 DBADRM CN(C(=O)C[C@@H]1C=CCC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047297178 817044577 /nfs/dbraw/zinc/04/45/77/817044577.db2.gz HXSTURHYFIGNJG-WOPDTQHZSA-N -1 0 321.381 -0.130 20 0 DBADRM CN(C(=O)C1CC=CC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047330577 817068875 /nfs/dbraw/zinc/06/88/75/817068875.db2.gz QFSNSNYOILBSNG-QWRGUYRKSA-N -1 0 307.354 -0.520 20 0 DBADRM C[C@H](C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC1 ZINC001047338296 817073822 /nfs/dbraw/zinc/07/38/22/817073822.db2.gz UFCKNIJULLAVHN-LSJOCFKGSA-N -1 0 309.370 -0.440 20 0 DBADRM C[C@@H](C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC1 ZINC001047338298 817074008 /nfs/dbraw/zinc/07/40/08/817074008.db2.gz UFCKNIJULLAVHN-MIMYLULJSA-N -1 0 309.370 -0.440 20 0 DBADRM CN(C(=O)[C@H]1CC12CC2)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047543798 817193254 /nfs/dbraw/zinc/19/32/54/817193254.db2.gz XTXGKUFKUOJWQG-UTLUCORTSA-N -1 0 307.354 -0.686 20 0 DBADRM CN(C(=O)[C@@H]1CC12CCC2)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047549849 817194666 /nfs/dbraw/zinc/19/46/66/817194666.db2.gz XGRCHVICDCVUES-DCAQKATOSA-N -1 0 321.381 -0.296 20 0 DBADRM CC[C@@H](OC)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048718325 817410514 /nfs/dbraw/zinc/41/05/14/817410514.db2.gz KNFKAWHFORLHGI-OUAUKWLOSA-N -1 0 309.370 -0.175 20 0 DBADRM O=C(C[C@H]1CCOC1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048734657 817421628 /nfs/dbraw/zinc/42/16/28/817421628.db2.gz PEGPMQCNHQUQGE-UTUOFQBUSA-N -1 0 321.381 -0.173 20 0 DBADRM Cn1cncc1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048921108 817483348 /nfs/dbraw/zinc/48/33/48/817483348.db2.gz BLRUEHZDJBRDLW-AOOOYVTPSA-N -1 0 317.353 -0.552 20 0 DBADRM O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048996316 817503635 /nfs/dbraw/zinc/50/36/35/817503635.db2.gz MOWGNJWWPRNSFG-RNFDROQYSA-N -1 0 319.365 -0.707 20 0 DBADRM O=C(c1ccncn1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001049122802 817536049 /nfs/dbraw/zinc/53/60/49/817536049.db2.gz JUCHRNWNXMORFI-AOOOYVTPSA-N -1 0 315.337 -0.496 20 0 DBADRM O=C(Cc1ccc[nH]1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001049224795 817567468 /nfs/dbraw/zinc/56/74/68/817567468.db2.gz LAAPXMMDFGRHGE-PHIMTYICSA-N -1 0 316.365 -0.029 20 0 DBADRM CCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001049639859 817619622 /nfs/dbraw/zinc/61/96/22/817619622.db2.gz RUJRIMLSXRJYHE-BDAKNGLRSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001049659878 817622617 /nfs/dbraw/zinc/62/26/17/817622617.db2.gz ZRUCATMNMDWZAJ-WCBMZHEXSA-N -1 0 323.353 -0.412 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]3CN([C@H](C)C(N)=O)C[C@H]32)c1[O-] ZINC001050024735 817666529 /nfs/dbraw/zinc/66/65/29/817666529.db2.gz JADGKIGFGVOZEW-OUAUKWLOSA-N -1 0 321.381 -0.166 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001050039510 817668507 /nfs/dbraw/zinc/66/85/07/817668507.db2.gz FVQGRSMJBSEUSO-DMDPSCGWSA-N -1 0 323.397 -0.050 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001050192224 817692448 /nfs/dbraw/zinc/69/24/48/817692448.db2.gz ZTRDBWAUGRWSOB-VHSXEESVSA-N -1 0 313.333 -0.418 20 0 DBADRM O=C(c1cn[nH]c1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001050444515 817717261 /nfs/dbraw/zinc/71/72/61/817717261.db2.gz JUHCORQXROKCKY-UHFFFAOYSA-N -1 0 317.353 -0.028 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]([C@H](C)NC(=O)CC(N)=O)C2)c1[O-] ZINC001050473506 817720337 /nfs/dbraw/zinc/72/03/37/817720337.db2.gz DFJAZLIXUSIMHT-IONNQARKSA-N -1 0 323.353 -0.734 20 0 DBADRM O=C(c1cnon1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001050704427 817747515 /nfs/dbraw/zinc/74/75/15/817747515.db2.gz HKPZBPDGXNLXJK-UHFFFAOYSA-N -1 0 319.325 -0.369 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ccco1 ZINC001050788473 817758214 /nfs/dbraw/zinc/75/82/14/817758214.db2.gz WXBWHYUNLBAHPD-VIFPVBQESA-N -1 0 307.310 -0.266 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ccccn1 ZINC001050791177 817758449 /nfs/dbraw/zinc/75/84/49/817758449.db2.gz CSUAWLYFXXTGEY-SNVBAGLBSA-N -1 0 318.337 -0.464 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1CCCO1 ZINC001050807711 817762276 /nfs/dbraw/zinc/76/22/76/817762276.db2.gz VPXVTNDBZFOJIZ-VHSXEESVSA-N -1 0 311.342 -0.994 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2COCCN2Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001050831119 817768590 /nfs/dbraw/zinc/76/85/90/817768590.db2.gz ULQFKQOFYIEXQA-VIFPVBQESA-N -1 0 321.341 -0.827 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)C1=COCCC1 ZINC001050846877 817775596 /nfs/dbraw/zinc/77/55/96/817775596.db2.gz ZQPNQPNLJOBAMI-NSHDSACASA-N -1 0 323.353 -0.478 20 0 DBADRM O=C(NC[C@H]1COCCN1CCC1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001051005702 817821075 /nfs/dbraw/zinc/82/10/75/817821075.db2.gz DBSDHHCTBOYDAT-JTQLQIEISA-N -1 0 323.353 -0.487 20 0 DBADRM O=C(NC[C@@H]1COCCN1CCCF)c1n[nH]c(=O)[n-]c1=O ZINC001051010770 817822437 /nfs/dbraw/zinc/82/24/37/817822437.db2.gz YBPLSJFBSIDRER-MRVPVSSYSA-N -1 0 315.305 -0.927 20 0 DBADRM O=C(NC[C@H]1COCCN1CCCF)c1n[nH]c(=O)[n-]c1=O ZINC001051010775 817822763 /nfs/dbraw/zinc/82/27/63/817822763.db2.gz YBPLSJFBSIDRER-QMMMGPOBSA-N -1 0 315.305 -0.927 20 0 DBADRM CCCN1CCOC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC001051060691 817833891 /nfs/dbraw/zinc/83/38/91/817833891.db2.gz IFXKEKRYFDVYFY-SNVBAGLBSA-N -1 0 310.354 -0.674 20 0 DBADRM CCCCN1CCOC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC001051063356 817835402 /nfs/dbraw/zinc/83/54/02/817835402.db2.gz VZCPWPFEXQNONA-NSHDSACASA-N -1 0 324.381 -0.283 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001051081113 817840468 /nfs/dbraw/zinc/84/04/68/817840468.db2.gz HNLQJDIKLPIYIY-QCNOEVLYSA-N -1 0 321.381 -0.127 20 0 DBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1CC12CC2 ZINC001051140563 817855798 /nfs/dbraw/zinc/85/57/98/817855798.db2.gz IWMGJZOSLMRTFL-ZJUUUORDSA-N -1 0 307.354 -0.373 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1CC12CC2 ZINC001051140562 817855924 /nfs/dbraw/zinc/85/59/24/817855924.db2.gz IWMGJZOSLMRTFL-VHSXEESVSA-N -1 0 307.354 -0.373 20 0 DBADRM Cc1cnoc1C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001051192256 817873094 /nfs/dbraw/zinc/87/30/94/817873094.db2.gz GQKMSIKNPDRUNK-VIFPVBQESA-N -1 0 322.325 -0.562 20 0 DBADRM Cc1nc[nH]c1C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001051270758 817894792 /nfs/dbraw/zinc/89/47/92/817894792.db2.gz XRKIFQDMZKOLEY-SECBINFHSA-N -1 0 321.341 -0.827 20 0 DBADRM CC(C)C(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001051289138 817897875 /nfs/dbraw/zinc/89/78/75/817897875.db2.gz RKFVBXIAZJKXMI-RKDXNWHRSA-N -1 0 323.353 -0.094 20 0 DBADRM CCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001051322604 817898574 /nfs/dbraw/zinc/89/85/74/817898574.db2.gz GEVSVAWGVPQUIA-NXEZZACHSA-N -1 0 322.365 -0.137 20 0 DBADRM CCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001051314352 817899254 /nfs/dbraw/zinc/89/92/54/817899254.db2.gz MDKOFZVPDACIHJ-RKDXNWHRSA-N -1 0 311.342 -0.548 20 0 DBADRM CCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001051680054 817997129 /nfs/dbraw/zinc/99/71/29/817997129.db2.gz UUGNTCATBJCAMQ-IUCAKERBSA-N -1 0 311.342 -0.690 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H](NCc3cn(C)nn3)C2)c1[O-] ZINC001054572413 818141898 /nfs/dbraw/zinc/14/18/98/818141898.db2.gz MVDKMVFLAGHQCR-GZMMTYOYSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1nccc(N2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)n1 ZINC001055869534 818323168 /nfs/dbraw/zinc/32/31/68/818323168.db2.gz DSHYLTGUHRZLGK-UHFFFAOYSA-N -1 0 319.325 -0.863 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)[C@H]2C[C@H]2C)c1[O-] ZINC001056850944 818499681 /nfs/dbraw/zinc/49/96/81/818499681.db2.gz JKZRRKRENMAHMC-SCZZXKLOSA-N -1 0 310.354 -0.370 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)C2CC=CC2)c1[O-] ZINC001057253182 818664673 /nfs/dbraw/zinc/66/46/73/818664673.db2.gz JUHZYHZZXLHCAI-UHFFFAOYSA-N -1 0 322.365 -0.059 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)C(C)(C)F)c1[O-] ZINC001057354131 818697215 /nfs/dbraw/zinc/69/72/15/818697215.db2.gz NVZFDBJEFIQOKL-UHFFFAOYSA-N -1 0 316.333 -0.277 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)c2ccoc2)c1[O-] ZINC001057353915 818697407 /nfs/dbraw/zinc/69/74/07/818697407.db2.gz HMZQJUYBPAHZNP-UHFFFAOYSA-N -1 0 322.321 -0.119 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)c2cn[nH]c2)c1[O-] ZINC001057354182 818697453 /nfs/dbraw/zinc/69/74/53/818697453.db2.gz PGUNRIRNDGGWCN-UHFFFAOYSA-N -1 0 322.325 -0.989 20 0 DBADRM CO[C@H](C)C(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057354403 818697523 /nfs/dbraw/zinc/69/75/23/818697523.db2.gz WFVQEBWDIQAFKJ-SECBINFHSA-N -1 0 314.342 -0.991 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC001058181962 818881764 /nfs/dbraw/zinc/88/17/64/818881764.db2.gz NQXFOTTXSULFTG-SECBINFHSA-N -1 0 319.325 -0.736 20 0 DBADRM CC[C@H](F)C(=O)N(CCO)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001058380439 818934846 /nfs/dbraw/zinc/93/48/46/818934846.db2.gz FMKNQZVKQQWSSL-VIFPVBQESA-N -1 0 316.333 -0.277 20 0 DBADRM O=C(N[C@@H]1CCN(c2ncccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001058604109 819005480 /nfs/dbraw/zinc/00/54/80/819005480.db2.gz QFOJCKMFWXGVBZ-SSDOTTSWSA-N -1 0 303.282 -0.919 20 0 DBADRM O=C(N[C@@H]1CCN(c2cccc(F)n2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001058603907 819005620 /nfs/dbraw/zinc/00/56/20/819005620.db2.gz LLSQADLUUPOSDY-SSDOTTSWSA-N -1 0 320.284 -0.174 20 0 DBADRM Cc1cc(N[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)ncn1 ZINC001059118359 819111191 /nfs/dbraw/zinc/11/11/91/819111191.db2.gz IOQQAPSTYIZWSG-QMMMGPOBSA-N -1 0 317.309 -0.292 20 0 DBADRM O=C(N[C@H]1C[C@H](Nc2cnc(F)cn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001059468700 819146321 /nfs/dbraw/zinc/14/63/21/819146321.db2.gz QFQWWJZOXIGNOU-IZLXSQMJSA-N -1 0 321.272 -0.415 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](Nc2nccnc2F)C1 ZINC001059689568 819167260 /nfs/dbraw/zinc/16/72/60/819167260.db2.gz RRZKAQXJNKVIAY-KNVOCYPGSA-N -1 0 323.288 -0.622 20 0 DBADRM O=C(N[C@H]1C[C@@H](Nc2nccnc2F)C1)c1n[nH]c(=O)[n-]c1=O ZINC001059882316 819183738 /nfs/dbraw/zinc/18/37/38/819183738.db2.gz FKBDTYHQDSXHFP-OLQVQODUSA-N -1 0 321.272 -0.415 20 0 DBADRM CC(=O)NCC[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001059904180 819185500 /nfs/dbraw/zinc/18/55/00/819185500.db2.gz TXJUMBLNIMCTTQ-SNVBAGLBSA-N -1 0 323.353 -0.410 20 0 DBADRM CC(=O)NCC[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001060053636 819192364 /nfs/dbraw/zinc/19/23/64/819192364.db2.gz OJSNBYITJYMQKS-SNVBAGLBSA-N -1 0 308.338 -0.526 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](CNc2ncccn2)C1 ZINC001060902289 819238804 /nfs/dbraw/zinc/23/88/04/819238804.db2.gz KUXHBWTZRBMIJU-VIFPVBQESA-N -1 0 319.325 -0.560 20 0 DBADRM CC(=O)NCC1(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCC1 ZINC001062374512 819475182 /nfs/dbraw/zinc/47/51/82/819475182.db2.gz KTFLUBZLZOYPMP-UHFFFAOYSA-N -1 0 311.342 -0.356 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001062437618 819484682 /nfs/dbraw/zinc/48/46/82/819484682.db2.gz GQHAAQBHOODXKD-DTWKUNHWSA-N -1 0 323.353 -0.500 20 0 DBADRM CNC(=O)CC(=O)NC1(CNC(=O)c2[nH]nc(C)c2[O-])CCC1 ZINC001062806688 819542735 /nfs/dbraw/zinc/54/27/35/819542735.db2.gz QAVFXODMDMRSNO-UHFFFAOYSA-N -1 0 323.353 -0.671 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)CC(N)=O)CCC2)c1[O-] ZINC001062806721 819542910 /nfs/dbraw/zinc/54/29/10/819542910.db2.gz RFHMOZUXZFPBCQ-UHFFFAOYSA-N -1 0 309.326 -0.932 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(c2ncccn2)C1 ZINC001062962282 819566801 /nfs/dbraw/zinc/56/68/01/819566801.db2.gz RFPRKFFJBAPLMA-SECBINFHSA-N -1 0 319.325 -0.783 20 0 DBADRM C[C@@]1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN(c2ncccn2)C1 ZINC001065361253 819870503 /nfs/dbraw/zinc/87/05/03/819870503.db2.gz UUMSSMXPLQUSRG-CYBMUJFWSA-N -1 0 317.309 -0.528 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](CNc2ncccn2)C1 ZINC001068510713 820198061 /nfs/dbraw/zinc/19/80/61/820198061.db2.gz VYYRWQYOEJKGLT-KYZUINATSA-N -1 0 319.325 -0.514 20 0 DBADRM C[C@H]1C[C@@H](Nc2ncccn2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001069130565 820286520 /nfs/dbraw/zinc/28/65/20/820286520.db2.gz RDAHLDOOGBCUKJ-DTWKUNHWSA-N -1 0 319.325 -0.419 20 0 DBADRM CCC1(NC(=O)c2[nH]nc(C)c2[O-])CCN(C(=O)C(N)=O)CC1 ZINC001069578593 820302909 /nfs/dbraw/zinc/30/29/09/820302909.db2.gz YPBCYWNSOXWQPN-UHFFFAOYSA-N -1 0 323.353 -0.590 20 0 DBADRM CCN1CCNC(=O)CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001070955666 820581921 /nfs/dbraw/zinc/58/19/21/820581921.db2.gz XORDLNMYXBVQQJ-UHFFFAOYSA-N -1 0 309.370 -0.292 20 0 DBADRM CC(=O)N1CCC[C@H](N2CCN(Cc3n[nH]c(=O)[n-]3)CC2=O)C1 ZINC001071248935 820660173 /nfs/dbraw/zinc/66/01/73/820660173.db2.gz WAYHVQASCYEVKP-NSHDSACASA-N -1 0 322.369 -0.835 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)Cc2cc[nH]n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071402624 820678465 /nfs/dbraw/zinc/67/84/65/820678465.db2.gz VCJCISSZLLKCCN-MWLCHTKSSA-N -1 0 319.369 -0.055 20 0 DBADRM CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001071421604 820679306 /nfs/dbraw/zinc/67/93/06/820679306.db2.gz GGTRUGNYFJJDDV-SCZZXKLOSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)c2ncn(C)n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071486720 820695817 /nfs/dbraw/zinc/69/58/17/820695817.db2.gz BJAXETGVJXPJMK-BDAKNGLRSA-N -1 0 320.357 -0.578 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)Cn2nccn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071534942 820712455 /nfs/dbraw/zinc/71/24/55/820712455.db2.gz VYUDUKPJISSBSW-ZJUUUORDSA-N -1 0 320.357 -0.729 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)c2cn[nH]n2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071634536 820738541 /nfs/dbraw/zinc/73/85/41/820738541.db2.gz FEKDNEABMBENKL-JGVFFNPUSA-N -1 0 306.330 -0.589 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001071734876 820763984 /nfs/dbraw/zinc/76/39/84/820763984.db2.gz CFEWJEXFCSSUOP-CBAPKCEASA-N -1 0 320.357 -0.280 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]cn2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071846446 820793690 /nfs/dbraw/zinc/79/36/90/820793690.db2.gz AMTPUSOIDHTBAX-ZJUUUORDSA-N -1 0 319.369 -0.055 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)Cc2ncc[nH]2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071938388 820813743 /nfs/dbraw/zinc/81/37/43/820813743.db2.gz NESNKJGCOIBOEZ-UWVGGRQHSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001072115658 820869082 /nfs/dbraw/zinc/86/90/82/820869082.db2.gz AHZPLTFKRWOVAS-VXNVDRBHSA-N -1 0 321.341 -0.015 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001072115655 820869516 /nfs/dbraw/zinc/86/95/16/820869516.db2.gz AHZPLTFKRWOVAS-APPZFPTMSA-N -1 0 321.341 -0.015 20 0 DBADRM CCCC(=O)N[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001072483115 820928962 /nfs/dbraw/zinc/92/89/62/820928962.db2.gz CTXJLYHEBLGDJH-BDAKNGLRSA-N -1 0 311.342 -0.548 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001072482876 820929454 /nfs/dbraw/zinc/92/94/54/820929454.db2.gz AHFHCUXOAUYQMM-PSVJHUJZSA-N -1 0 323.353 -0.381 20 0 DBADRM O=C(Cc1ccon1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072565424 820952418 /nfs/dbraw/zinc/95/24/18/820952418.db2.gz YPTPTKPVUFKLMI-UHFFFAOYSA-N -1 0 318.337 -0.225 20 0 DBADRM C[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001073081170 821086158 /nfs/dbraw/zinc/08/61/58/821086158.db2.gz XHIADOBRDRXUEY-QWRGUYRKSA-N -1 0 321.381 -0.030 20 0 DBADRM O=C(NC[C@@H]1CN(CCF)CCCO1)c1n[nH]c(=O)[n-]c1=O ZINC001073679769 821206938 /nfs/dbraw/zinc/20/69/38/821206938.db2.gz SOAIDOAPSNBOOQ-MRVPVSSYSA-N -1 0 315.305 -0.927 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1cnco1 ZINC001073716469 821218899 /nfs/dbraw/zinc/21/88/99/821218899.db2.gz DGGOJRHFSQTTAC-VIFPVBQESA-N -1 0 322.325 -0.481 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)CC(N)=O)[C@@H](C)C2)c1[O-] ZINC001073841042 821251164 /nfs/dbraw/zinc/25/11/64/821251164.db2.gz ZTGJSAQQORZBAG-CBAPKCEASA-N -1 0 323.353 -0.734 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)CC(N)=O)[C@H](C)C2)c1[O-] ZINC001073841044 821251482 /nfs/dbraw/zinc/25/14/82/821251482.db2.gz ZTGJSAQQORZBAG-VXNVDRBHSA-N -1 0 323.353 -0.734 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC001074049468 821283363 /nfs/dbraw/zinc/28/33/63/821283363.db2.gz PNRAHAAOAMWLHU-PSASIEDQSA-N -1 0 323.353 -0.412 20 0 DBADRM O=C(C1CC1)N1CC[C@@H]2OCCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001074128355 821290132 /nfs/dbraw/zinc/29/01/32/821290132.db2.gz PMJOVERZBMXGLG-QWRGUYRKSA-N -1 0 307.354 -0.278 20 0 DBADRM CCC(=O)NCC1(O)CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001074549835 821383912 /nfs/dbraw/zinc/38/39/12/821383912.db2.gz MJPYCPRSPFJMFW-UHFFFAOYSA-N -1 0 310.354 -0.083 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)CC(N)=O)C[C@@H]2C)c1[O-] ZINC001074909900 821460112 /nfs/dbraw/zinc/46/01/12/821460112.db2.gz RMCMNEXKBSJERB-CBAPKCEASA-N -1 0 323.353 -0.592 20 0 DBADRM CCC(=O)NCC[C@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001075219282 821497057 /nfs/dbraw/zinc/49/70/57/821497057.db2.gz CIHDXAMSAAZGDU-QMMMGPOBSA-N -1 0 311.342 -0.364 20 0 DBADRM C[C@@H](CCNC(=O)C1CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001075284851 821502854 /nfs/dbraw/zinc/50/28/54/821502854.db2.gz LHRNZEMMQGBMTR-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@@H](CCNC(=O)C1CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001075282395 821503062 /nfs/dbraw/zinc/50/30/62/821503062.db2.gz GVEHISAQJKFLEA-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(=O)NCC(=O)NCC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001075418216 821515295 /nfs/dbraw/zinc/51/52/95/821515295.db2.gz AMYDIJQFVQNBCI-ZETCQYMHSA-N -1 0 311.342 -0.816 20 0 DBADRM O=C(c1cc[nH]n1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075570791 821549344 /nfs/dbraw/zinc/54/93/44/821549344.db2.gz XCCOYUYOYKTECM-WCBMZHEXSA-N -1 0 303.326 -0.420 20 0 DBADRM C[C@@H](CCNC(=O)c1ccoc1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001075603337 821554306 /nfs/dbraw/zinc/55/43/06/821554306.db2.gz NSUILFYHBLAZDN-QMMMGPOBSA-N -1 0 323.309 -0.393 20 0 DBADRM O=C(c1cncnc1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075716416 821580426 /nfs/dbraw/zinc/58/04/26/821580426.db2.gz MHGBWMKRTSOMMI-GXSJLCMTSA-N -1 0 315.337 -0.353 20 0 DBADRM C[C@@H](CCNC(=O)c1ccon1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001075766452 821594635 /nfs/dbraw/zinc/59/46/35/821594635.db2.gz JWQBVKFAKLNGLQ-LURJTMIESA-N -1 0 322.281 -0.791 20 0 DBADRM CCOCC(=O)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC001112602350 828356863 /nfs/dbraw/zinc/35/68/63/828356863.db2.gz YPDJFXZPPSCKTO-UHFFFAOYSA-N -1 0 319.365 -0.297 20 0 DBADRM C[C@@H](CCNC(=O)C1=CCCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001076141487 821672041 /nfs/dbraw/zinc/67/20/41/821672041.db2.gz PDWSWFHNBAOVKA-VIFPVBQESA-N -1 0 323.353 -0.189 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)c1[O-] ZINC001076167981 821677715 /nfs/dbraw/zinc/67/77/15/821677715.db2.gz VLHYBRQTELTHIB-ZQARSLAVSA-N -1 0 323.353 -0.830 20 0 DBADRM Cc1noc(C)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076731253 821826534 /nfs/dbraw/zinc/82/65/34/821826534.db2.gz BPTUMAXVOTYJNN-RKDXNWHRSA-N -1 0 322.325 -0.910 20 0 DBADRM C[C@@H](CCNC(=O)c1cc[nH]c1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001076874942 821898625 /nfs/dbraw/zinc/89/86/25/821898625.db2.gz UHURQXRZTVMTEZ-QMMMGPOBSA-N -1 0 322.325 -0.658 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cccnc3)C[C@H]2O)c1[O-] ZINC001076890171 821907820 /nfs/dbraw/zinc/90/78/20/821907820.db2.gz NDWTUPOFYMPGES-VXGBXAGGSA-N -1 0 317.349 -0.206 20 0 DBADRM Cc1cnc(CN2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)o1 ZINC001076890207 821907903 /nfs/dbraw/zinc/90/79/03/821907903.db2.gz PBXZZGNPIJTIQB-NXEZZACHSA-N -1 0 321.337 -0.305 20 0 DBADRM Cc1nscc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076909356 821917401 /nfs/dbraw/zinc/91/74/01/821917401.db2.gz AMWSXALIWLPKPP-RKDXNWHRSA-N -1 0 324.366 -0.750 20 0 DBADRM CCc1occc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076941025 821933439 /nfs/dbraw/zinc/93/34/39/821933439.db2.gz KZUHJMNOULHGCH-NXEZZACHSA-N -1 0 321.337 -0.359 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1C=CC=CC=C1 ZINC001077075494 821984689 /nfs/dbraw/zinc/98/46/89/821984689.db2.gz MQKFXDSIYOAPNB-VXGBXAGGSA-N -1 0 317.349 -0.530 20 0 DBADRM Cc1noc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1C ZINC001077195966 822028135 /nfs/dbraw/zinc/02/81/35/822028135.db2.gz XOLDVRIAJRQAPN-RKDXNWHRSA-N -1 0 322.325 -0.910 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)c2cn[nH]n2)c1[O-] ZINC001077294239 822067332 /nfs/dbraw/zinc/06/73/32/822067332.db2.gz MHJSDIPJJPJWLE-LURJTMIESA-N -1 0 307.314 -0.520 20 0 DBADRM O=C(C[C@@H]1C[C@H]1C1CC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077415153 822105520 /nfs/dbraw/zinc/10/55/20/822105520.db2.gz MQEIZLGKSKYOAI-NNYUYHANSA-N -1 0 321.381 -0.392 20 0 DBADRM CC(C)(C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CCC1 ZINC001077456080 822117673 /nfs/dbraw/zinc/11/76/73/822117673.db2.gz WVVJVJFFTDQKQY-GHMZBOCLSA-N -1 0 323.397 -0.002 20 0 DBADRM C[C@@H](CCNC(=O)c1ccc2oc(=O)nc-2[n-]1)NC(=O)C(N)=O ZINC001077487025 822126257 /nfs/dbraw/zinc/12/62/57/822126257.db2.gz BLEZXWZHCQYRLV-LURJTMIESA-N -1 0 321.293 -0.962 20 0 DBADRM O=C(C[C@@H]1CC=CCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077518151 822138291 /nfs/dbraw/zinc/13/82/91/822138291.db2.gz PEYVUQGQMDQUBG-IJLUTSLNSA-N -1 0 321.381 -0.082 20 0 DBADRM CC(C)CC(=O)N[C@@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077577168 822159567 /nfs/dbraw/zinc/15/95/67/822159567.db2.gz SWIHJIWSYNNRHP-QMMMGPOBSA-N -1 0 311.342 -0.047 20 0 DBADRM CCc1ncoc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077647735 822178924 /nfs/dbraw/zinc/17/89/24/822178924.db2.gz JVCAIRITTIPKCS-RKDXNWHRSA-N -1 0 322.325 -0.964 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(C)F ZINC001077680073 822186484 /nfs/dbraw/zinc/18/64/84/822186484.db2.gz PUKXJAGNSWEESA-ZETCQYMHSA-N -1 0 317.321 -0.552 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)/C=C\C1CC1 ZINC001077680042 822186616 /nfs/dbraw/zinc/18/66/16/822186616.db2.gz ODIUUWUQWXZLFH-WBSSQXGSSA-N -1 0 323.353 -0.334 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001077681167 822188585 /nfs/dbraw/zinc/18/85/85/822188585.db2.gz MWKZJZUJYWRTCU-CIUDSAMLSA-N -1 0 311.342 -0.644 20 0 DBADRM CC(C)C(=O)N[C@@H](C)CCNC(=O)c1cnc([O-])n(C)c1=O ZINC001077709236 822198381 /nfs/dbraw/zinc/19/83/81/822198381.db2.gz GQJNKDQXHVLFNL-VIFPVBQESA-N -1 0 310.354 -0.234 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC001117591793 828995401 /nfs/dbraw/zinc/99/54/01/828995401.db2.gz LVKMYUIWFCLYAG-JTQLQIEISA-N -1 0 322.383 -0.846 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCN(CCF)CC1 ZINC001113051994 828453229 /nfs/dbraw/zinc/45/32/29/828453229.db2.gz HMBAKNHJDDKIMQ-UHFFFAOYSA-N -1 0 301.322 -0.417 20 0 DBADRM Cc1ccnc(N[C@@H](C)[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001113110157 828458955 /nfs/dbraw/zinc/45/89/55/828458955.db2.gz NPSVOIFPTZYICW-IUCAKERBSA-N -1 0 321.341 -0.207 20 0 DBADRM COCCO[C@H](C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113400124 828493073 /nfs/dbraw/zinc/49/30/73/828493073.db2.gz FELYDNGCOKAZFD-SNVBAGLBSA-N -1 0 313.358 -0.794 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H](C)Nc1cc(F)ncn1 ZINC001113364033 828488948 /nfs/dbraw/zinc/48/89/48/828488948.db2.gz HUWUVUJBWGDIOI-PHDIDXHHSA-N -1 0 323.288 -0.169 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CCOC1(C)C ZINC001118662134 829117112 /nfs/dbraw/zinc/11/71/12/829117112.db2.gz GYUXISPGIIFKEG-VIFPVBQESA-N -1 0 301.343 -0.898 20 0 DBADRM CNC(=O)CCCCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001113706486 828542125 /nfs/dbraw/zinc/54/21/25/828542125.db2.gz KPKNQANGPFMFSU-UHFFFAOYSA-N -1 0 324.385 -0.539 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)N(C)c1ncccn1 ZINC001113827340 828566757 /nfs/dbraw/zinc/56/67/57/828566757.db2.gz YRVVDLQUMVJVPS-VIFPVBQESA-N -1 0 318.337 -0.469 20 0 DBADRM CC(=O)N1CC2(CCN(Cc3n[nH]c(=O)[n-]3)CC2)[C@H]2COC[C@H]21 ZINC001079214454 823852355 /nfs/dbraw/zinc/85/23/55/823852355.db2.gz NYGZVCQDTQZJRX-NWDGAFQWSA-N -1 0 321.381 -0.030 20 0 DBADRM O=C(CCn1cccn1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001113875760 828578050 /nfs/dbraw/zinc/57/80/50/828578050.db2.gz FOWPSGFVSGDBKP-IWIIMEHWSA-N -1 0 317.353 -0.657 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2C)c1[O-] ZINC001079577496 823917263 /nfs/dbraw/zinc/91/72/63/823917263.db2.gz GIOXVBIXPRGQKI-MWLCHTKSSA-N -1 0 321.381 -0.294 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cncn1C ZINC001080057958 823998028 /nfs/dbraw/zinc/99/80/28/823998028.db2.gz AUMFVZFZQUVXOM-RKDXNWHRSA-N -1 0 305.342 -0.506 20 0 DBADRM CCC(=O)N1CC(N(CC)C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001080067275 823999425 /nfs/dbraw/zinc/99/94/25/823999425.db2.gz SNWASUXRQYTCAA-UHFFFAOYSA-N -1 0 323.353 -0.315 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@]1(C)CCC(=O)N1 ZINC001080397795 824037748 /nfs/dbraw/zinc/03/77/48/824037748.db2.gz UAJZEFARDQQGCL-NUPCCRGMSA-N -1 0 322.369 -0.885 20 0 DBADRM C[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)Cc1ccco1 ZINC001080651650 824071765 /nfs/dbraw/zinc/07/17/65/824071765.db2.gz XWSHRQHMIFUPLG-ZYHUDNBSSA-N -1 0 319.365 -0.119 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1cncn1C ZINC001080782396 824093471 /nfs/dbraw/zinc/09/34/71/824093471.db2.gz IXCFBFMUIGVKNX-MWLCHTKSSA-N -1 0 319.369 -0.577 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CO)CCN(C(=O)C3CC3)CC2)c1[O-] ZINC001080816792 824097076 /nfs/dbraw/zinc/09/70/76/824097076.db2.gz AKXCNTGTTIEXNJ-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C(F)F)C2)c1[O-] ZINC001081149623 824137120 /nfs/dbraw/zinc/13/71/20/824137120.db2.gz KVBVYXOBOUHYPF-RQJHMYQMSA-N -1 0 318.280 -0.762 20 0 DBADRM CC(C)=CC(=O)NC[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC001081226224 824171070 /nfs/dbraw/zinc/17/10/70/824171070.db2.gz SJLNTSFASOMEOE-QWRGUYRKSA-N -1 0 322.365 -0.061 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(C)C)C2)c1[O-] ZINC001081273396 824185556 /nfs/dbraw/zinc/18/55/56/824185556.db2.gz MXIFQBHTFFTINJ-VHSXEESVSA-N -1 0 310.354 -0.371 20 0 DBADRM CCC(=O)N1CCCC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001081810633 824362146 /nfs/dbraw/zinc/36/21/46/824362146.db2.gz JYRHQXBLKKFZNF-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1c[nH]nc1C ZINC001082007118 824386421 /nfs/dbraw/zinc/38/64/21/824386421.db2.gz PPCRZKKOAYPAMU-NXEZZACHSA-N -1 0 321.341 -0.829 20 0 DBADRM CCC(=O)NC[C@@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082197804 824407835 /nfs/dbraw/zinc/40/78/35/824407835.db2.gz HHYZBQCOWHQRCB-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM O=C(CC1CC1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001082975792 824474417 /nfs/dbraw/zinc/47/44/17/824474417.db2.gz IURODECWPATQNP-WDEREUQCSA-N -1 0 307.354 -0.278 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H]3CN(C[C@@H](C)O)C[C@@H]32)c1[O-] ZINC001083052066 824487666 /nfs/dbraw/zinc/48/76/66/824487666.db2.gz ASNCNPJOSCKKGQ-DVVUODLYSA-N -1 0 310.354 -0.670 20 0 DBADRM CO[C@@H](C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1CC1 ZINC001114208985 828655649 /nfs/dbraw/zinc/65/56/49/828655649.db2.gz JDGZEDVKIDMEOK-LLHIFLOGSA-N -1 0 307.354 -0.518 20 0 DBADRM O=C(C[C@H]1C=CCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083330844 824548056 /nfs/dbraw/zinc/54/80/56/824548056.db2.gz KTGMMCKVFHQAER-AXFHLTTASA-N -1 0 307.354 -0.472 20 0 DBADRM Cc1cccnc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083395536 824596986 /nfs/dbraw/zinc/59/69/86/824596986.db2.gz VTNNUPOOONBMBG-ZJUUUORDSA-N -1 0 318.337 -0.811 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3conc3C)C[C@@H]2O)c1[O-] ZINC001083409815 824605935 /nfs/dbraw/zinc/60/59/35/824605935.db2.gz JUTLZIVSYALJJK-MNOVXSKESA-N -1 0 321.337 -0.305 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cscn3)C[C@@H]2O)c1[O-] ZINC001083409965 824606505 /nfs/dbraw/zinc/60/65/05/824606505.db2.gz OIZBHMAMFKHIHH-ZJUUUORDSA-N -1 0 323.378 -0.145 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cccnc3)C[C@@H]2O)c1[O-] ZINC001083410596 824607643 /nfs/dbraw/zinc/60/76/43/824607643.db2.gz NDWTUPOFYMPGES-NEPJUHHUSA-N -1 0 317.349 -0.206 20 0 DBADRM Cc1ccc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)o1 ZINC001083415243 824609053 /nfs/dbraw/zinc/60/90/53/824609053.db2.gz ZOJCZVONTJGTKI-MNOVXSKESA-N -1 0 321.337 -0.684 20 0 DBADRM Cc1csc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1 ZINC001083446756 824629738 /nfs/dbraw/zinc/62/97/38/824629738.db2.gz MFMLXLYVICGIMB-BDAKNGLRSA-N -1 0 323.378 -0.145 20 0 DBADRM Cc1sccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083449896 824632331 /nfs/dbraw/zinc/63/23/31/824632331.db2.gz RXOZAAQATKWDAB-ZJUUUORDSA-N -1 0 323.378 -0.145 20 0 DBADRM CCO[C@H](C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1CC1 ZINC001114292729 828672434 /nfs/dbraw/zinc/67/24/34/828672434.db2.gz FGAZAEQADFQAQM-YGNMPJRFSA-N -1 0 321.381 -0.128 20 0 DBADRM CC1(C)CC[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083710653 824741561 /nfs/dbraw/zinc/74/15/61/824741561.db2.gz JOKNIOKZOHZRLD-AEJSXWLSSA-N -1 0 309.370 -0.392 20 0 DBADRM CCc1ccoc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083755826 824761096 /nfs/dbraw/zinc/76/10/96/824761096.db2.gz OBHCGWDUGBEWSH-ZJUUUORDSA-N -1 0 321.337 -0.359 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@@H]1C[C@H]1C1CCC1 ZINC001083850452 824792766 /nfs/dbraw/zinc/79/27/66/824792766.db2.gz FGBJINDCTHJVAR-QCNOEVLYSA-N -1 0 321.381 -0.392 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cs1 ZINC001083861210 824795640 /nfs/dbraw/zinc/79/56/40/824795640.db2.gz AFWOPPCQVBERGF-ZJUUUORDSA-N -1 0 323.378 -0.145 20 0 DBADRM CNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001084282746 824917454 /nfs/dbraw/zinc/91/74/54/824917454.db2.gz DEZQICODXAZCQK-HBNTYKKESA-N -1 0 321.381 -0.295 20 0 DBADRM O=C(C1=CCOCC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084299071 824920508 /nfs/dbraw/zinc/92/05/08/824920508.db2.gz BJCVIWBLLFYHNN-VXGBXAGGSA-N -1 0 319.365 -0.110 20 0 DBADRM O=C(c1cnco1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084557971 824947891 /nfs/dbraw/zinc/94/78/91/824947891.db2.gz XTYBXFKPLUMMLY-RKDXNWHRSA-N -1 0 304.310 -0.155 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)C1CCOCC1 ZINC001085454638 825018163 /nfs/dbraw/zinc/01/81/63/825018163.db2.gz QPPKNLIZZBBSJY-NSHDSACASA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1cc[n+]([O-])cc1 ZINC001085471249 825021493 /nfs/dbraw/zinc/02/14/93/825021493.db2.gz KCKLZCXVYGJLHN-LLVKDONJSA-N -1 0 318.337 -0.510 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)nn1C ZINC001085504816 825028866 /nfs/dbraw/zinc/02/88/66/825028866.db2.gz FZUBFCCRLSZAAX-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2[C@H]2CCCNC2=O)c1[O-] ZINC001085549837 825042280 /nfs/dbraw/zinc/04/22/80/825042280.db2.gz FHYJAGPIPOINRJ-MNOVXSKESA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2Cc2cn(C)nn2)c1[O-] ZINC001085550583 825042473 /nfs/dbraw/zinc/04/24/73/825042473.db2.gz YYNIOUIBQRSQRK-NSHDSACASA-N -1 0 319.369 -0.101 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2[C@@H]2CCCNC2=O)c1[O-] ZINC001085549839 825042593 /nfs/dbraw/zinc/04/25/93/825042593.db2.gz FHYJAGPIPOINRJ-WDEREUQCSA-N -1 0 321.381 -0.151 20 0 DBADRM CCn1ncc(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001085584811 825057873 /nfs/dbraw/zinc/05/78/73/825057873.db2.gz NOOUXYCILBJIFU-VIFPVBQESA-N -1 0 320.357 -0.532 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001085626655 825065299 /nfs/dbraw/zinc/06/52/99/825065299.db2.gz QQYAJZURBRHYKW-NXEZZACHSA-N -1 0 322.369 -0.979 20 0 DBADRM Cc1ncn(C)c1C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085655162 825073078 /nfs/dbraw/zinc/07/30/78/825073078.db2.gz JDYLFMOZTVMVHG-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087847841 825366470 /nfs/dbraw/zinc/36/64/70/825366470.db2.gz UPTCWJFZIGFPAY-WDEREUQCSA-N -1 0 319.369 -0.124 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088462193 825426019 /nfs/dbraw/zinc/42/60/19/825426019.db2.gz KPFJSEZUPFTGKM-ZJUUUORDSA-N -1 0 322.369 -0.788 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCO2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088475215 825426614 /nfs/dbraw/zinc/42/66/14/825426614.db2.gz OUOXBZOXYLQZPA-UTLUCORTSA-N -1 0 311.342 -0.995 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001088891497 825473117 /nfs/dbraw/zinc/47/31/17/825473117.db2.gz XPVWUOWTBYERAK-MNOVXSKESA-N -1 0 319.369 -0.206 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cccnc1 ZINC001090016926 825547520 /nfs/dbraw/zinc/54/75/20/825547520.db2.gz QGJNZMJTAXAVIN-WDEREUQCSA-N -1 0 318.337 -0.730 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)o1 ZINC001090050888 825552556 /nfs/dbraw/zinc/55/25/56/825552556.db2.gz QLHDHEAFSDANBB-NXEZZACHSA-N -1 0 321.337 -0.223 20 0 DBADRM Cc1occc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090055848 825553926 /nfs/dbraw/zinc/55/39/26/825553926.db2.gz ZNCSXWKTHYQAAE-MNOVXSKESA-N -1 0 321.337 -0.223 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)on1 ZINC001090067778 825556928 /nfs/dbraw/zinc/55/69/28/825556928.db2.gz GXSXPUICCDZNRR-DTWKUNHWSA-N -1 0 322.325 -0.828 20 0 DBADRM Cc1ccoc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090083655 825560844 /nfs/dbraw/zinc/56/08/44/825560844.db2.gz OASIYSPNPNPLNO-VHSXEESVSA-N -1 0 321.337 -0.223 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC=CC1 ZINC001090153875 825585947 /nfs/dbraw/zinc/58/59/47/825585947.db2.gz BJCJZTKKIQFYBH-MNOVXSKESA-N -1 0 307.354 -0.472 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1=CCCC1 ZINC001090187955 825591230 /nfs/dbraw/zinc/59/12/30/825591230.db2.gz AAVOCXQYJGNYQY-MNOVXSKESA-N -1 0 307.354 -0.328 20 0 DBADRM Cc1nc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)co1 ZINC001090207436 825597136 /nfs/dbraw/zinc/59/71/36/825597136.db2.gz VVMZACJZIXKVDN-WCBMZHEXSA-N -1 0 322.325 -0.828 20 0 DBADRM Cc1coc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1 ZINC001090503398 825723213 /nfs/dbraw/zinc/72/32/13/825723213.db2.gz IVIZPFWBCJWYTJ-VHSXEESVSA-N -1 0 321.337 -0.223 20 0 DBADRM Cc1conc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090707776 825808917 /nfs/dbraw/zinc/80/89/17/825808917.db2.gz AKVNDOHDVOSOQJ-RKDXNWHRSA-N -1 0 322.325 -0.828 20 0 DBADRM Cc1conc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090707772 825809399 /nfs/dbraw/zinc/80/93/99/825809399.db2.gz AKVNDOHDVOSOQJ-IUCAKERBSA-N -1 0 322.325 -0.828 20 0 DBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)[C@H]1CCCO1)C2 ZINC001091461752 825962378 /nfs/dbraw/zinc/96/23/78/825962378.db2.gz ADOBLEYINGZXJX-HFAKWTLXSA-N -1 0 321.381 -0.030 20 0 DBADRM O=C([N-]OCc1ccccn1)C1(n2cnnn2)CCOCC1 ZINC001161228208 832993242 /nfs/dbraw/zinc/99/32/42/832993242.db2.gz ROHXBAJRZAWULN-UHFFFAOYSA-N -1 0 304.310 -0.178 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNc1cncc(Cl)n1 ZINC001093779589 826167740 /nfs/dbraw/zinc/16/77/40/826167740.db2.gz PSRHISYHHDOIMO-UHFFFAOYSA-N -1 0 313.705 -0.639 20 0 DBADRM Cc1nccc(NCCNC(=O)CCCn2c(=O)[n-][nH]c2=O)n1 ZINC001093962215 826182750 /nfs/dbraw/zinc/18/27/50/826182750.db2.gz GEYDZCQSXIMGLS-UHFFFAOYSA-N -1 0 321.341 -0.204 20 0 DBADRM Cc1nsc(NCCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001094032870 826189781 /nfs/dbraw/zinc/18/97/81/826189781.db2.gz YNAVHYAPQSRHDB-UHFFFAOYSA-N -1 0 310.339 -0.512 20 0 DBADRM Cc1cnc(C)nc1NCCNC(=O)c1cnc([O-])n(C)c1=O ZINC001094032688 826190118 /nfs/dbraw/zinc/19/01/18/826190118.db2.gz RGONNXGSFIPTCP-UHFFFAOYSA-N -1 0 318.337 -0.265 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCNc1cnc(F)cn1 ZINC001094527817 826247164 /nfs/dbraw/zinc/24/71/64/826247164.db2.gz SIIPKIAXBRRVMU-UHFFFAOYSA-N -1 0 311.277 -0.763 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CC(=O)N(C3CN(C(C)C)C3)C2)c1[O-] ZINC001094721805 826270759 /nfs/dbraw/zinc/27/07/59/826270759.db2.gz KXWXWGZBNQLGNH-SNVBAGLBSA-N -1 0 321.381 -0.153 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCCNc1ncccn1 ZINC001094881282 826297782 /nfs/dbraw/zinc/29/77/82/826297782.db2.gz CQTSVWRRWPXSSP-UHFFFAOYSA-N -1 0 319.325 -0.376 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@@H]1COCCO1 ZINC001095192181 826310942 /nfs/dbraw/zinc/31/09/42/826310942.db2.gz MHUAFGIWQGLDDT-RCWTZXSCSA-N -1 0 323.353 -0.853 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@@H]1CCOC1 ZINC001095224760 826312480 /nfs/dbraw/zinc/31/24/80/826312480.db2.gz MQQPUTUCEUPUNK-ZNSHCXBVSA-N -1 0 307.354 -0.232 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@H]1CCOC1 ZINC001095224759 826313228 /nfs/dbraw/zinc/31/32/28/826313228.db2.gz MQQPUTUCEUPUNK-VLEAKVRGSA-N -1 0 307.354 -0.232 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)C(N)=O)c1[O-] ZINC001095315955 826316249 /nfs/dbraw/zinc/31/62/49/826316249.db2.gz DJMHVPWVOSGNAP-JXUBOQSCSA-N -1 0 307.354 -0.367 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@H]1CCOC1 ZINC001096864596 826399745 /nfs/dbraw/zinc/39/97/45/826399745.db2.gz MQQPUTUCEUPUNK-ZDCRXTMVSA-N -1 0 307.354 -0.232 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@@H]1CCOC1 ZINC001096864595 826400079 /nfs/dbraw/zinc/40/00/79/826400079.db2.gz MQQPUTUCEUPUNK-DBIOUOCHSA-N -1 0 307.354 -0.232 20 0 DBADRM O=C(Cc1cc[nH]n1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001096907349 826401072 /nfs/dbraw/zinc/40/10/72/826401072.db2.gz VFHIVQFCTWLSAY-MXWKQRLJSA-N -1 0 317.353 -0.302 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H](C)C(N)=O)c1[O-] ZINC001096960155 826403810 /nfs/dbraw/zinc/40/38/10/826403810.db2.gz DJMHVPWVOSGNAP-KYXWUPHJSA-N -1 0 307.354 -0.367 20 0 DBADRM Cn1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)n1 ZINC001097037632 826408177 /nfs/dbraw/zinc/40/81/77/826408177.db2.gz GIPJIVVHJCDGCH-HLTSFMKQSA-N -1 0 318.341 -0.826 20 0 DBADRM O=C(Cc1cnoc1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001097700574 826428206 /nfs/dbraw/zinc/42/82/06/826428206.db2.gz KDCZPHALXORZQI-MXWKQRLJSA-N -1 0 318.337 -0.038 20 0 DBADRM Cc1ccc(N[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001097976319 826443328 /nfs/dbraw/zinc/44/33/28/826443328.db2.gz DGRIMHMOVAURCK-QMMMGPOBSA-N -1 0 307.314 -0.595 20 0 DBADRM C[C@@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)Nc1ncccn1 ZINC001098133517 826451297 /nfs/dbraw/zinc/45/12/97/826451297.db2.gz FQQZOPVYMATOGC-VIFPVBQESA-N -1 0 321.341 -0.124 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1cc(F)ncn1 ZINC001098435051 826482857 /nfs/dbraw/zinc/48/28/57/826482857.db2.gz FZKKZYWLSDBAEU-RXMQYKEDSA-N -1 0 309.261 -0.558 20 0 DBADRM O=C(Cn1ccnc1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001098492181 826491235 /nfs/dbraw/zinc/49/12/35/826491235.db2.gz FBNMOFOPMYRXEQ-MXWKQRLJSA-N -1 0 317.353 -0.372 20 0 DBADRM NC(=O)C(=O)NCC=CC[NH2+]Cc1nc(=O)c2sccc2[n-]1 ZINC001274325243 833062357 /nfs/dbraw/zinc/06/23/57/833062357.db2.gz LKXNMIWWOIPYLF-OWOJBTEDSA-N -1 0 321.362 -0.356 20 0 DBADRM CC(C)NC(=O)N1CCO[C@H]2CN(C(=O)c3cc(=O)[nH][n-]3)C[C@H]21 ZINC001274428428 833075451 /nfs/dbraw/zinc/07/54/51/833075451.db2.gz GVZBDBDZEXLVNM-MNOVXSKESA-N -1 0 323.353 -0.242 20 0 DBADRM CCn1cc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)nn1 ZINC001274471198 833083040 /nfs/dbraw/zinc/08/30/40/833083040.db2.gz FMWDORQHWKOBLC-ARJAWSKDSA-N -1 0 306.330 -0.803 20 0 DBADRM CC(C)=C(F)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099780922 826663401 /nfs/dbraw/zinc/66/34/01/826663401.db2.gz ONUQAFRVUCVVPP-BDAKNGLRSA-N -1 0 313.333 -0.175 20 0 DBADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ncc(F)cn1 ZINC001099788310 826667102 /nfs/dbraw/zinc/66/71/02/826667102.db2.gz KKJWHPYJQRIFAB-ZCFIWIBFSA-N -1 0 323.288 -0.168 20 0 DBADRM COC1(OC)CC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001162301175 833086948 /nfs/dbraw/zinc/08/69/48/833086948.db2.gz VMKPTYZRHXBBFR-UHFFFAOYSA-N -1 0 307.310 -0.661 20 0 DBADRM CC(F)(F)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099994324 826764855 /nfs/dbraw/zinc/76/48/55/826764855.db2.gz PFQLNEMFCXKOJW-JGVFFNPUSA-N -1 0 319.312 -0.393 20 0 DBADRM CC(C)C1(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CC1 ZINC001099996039 826765276 /nfs/dbraw/zinc/76/52/76/826765276.db2.gz HZWWQLSJJRQLKO-WDEREUQCSA-N -1 0 323.397 -0.002 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1(CF)CC1 ZINC001100005440 826768815 /nfs/dbraw/zinc/76/88/15/826768815.db2.gz BOFCFEXNPCFYAZ-DTWKUNHWSA-N -1 0 313.333 -0.689 20 0 DBADRM C[C@H](C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001274651284 833116019 /nfs/dbraw/zinc/11/60/19/833116019.db2.gz SMLBWOZZNHURCL-XOULXFPDSA-N -1 0 319.369 -0.191 20 0 DBADRM CC(C)(C)[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)c1nc(=O)o[n-]1 ZINC001162934747 833124261 /nfs/dbraw/zinc/12/42/61/833124261.db2.gz FYLJTJFDIDMMIV-MUWHJKNJSA-N -1 0 310.310 -0.381 20 0 DBADRM Cc1ccc(N(C)CCNC(=O)c2cnc([O-])n(C)c2=O)nn1 ZINC001100264230 826922629 /nfs/dbraw/zinc/92/26/29/826922629.db2.gz FAQSUOJJTKCPSN-UHFFFAOYSA-N -1 0 318.337 -0.549 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NC[C@@H]2CNC(=O)O2)nc1 ZINC001163021991 833127025 /nfs/dbraw/zinc/12/70/25/833127025.db2.gz CRAKVKCEOBXCMJ-MRVPVSSYSA-N -1 0 314.323 -0.573 20 0 DBADRM Nc1nc(=O)c2sc(=O)[nH]c2n1-c1ccc(C(=O)[O-])nn1 ZINC001163043396 833129132 /nfs/dbraw/zinc/12/91/32/833129132.db2.gz FPOTZVCPENGODA-UHFFFAOYSA-N -1 0 306.263 -0.139 20 0 DBADRM O=C([O-])c1cncc(NCc2cc(=O)n3c(n2)CNCCC3)n1 ZINC001163112051 833134452 /nfs/dbraw/zinc/13/44/52/833134452.db2.gz OQMZTIGFSKCOLA-UHFFFAOYSA-N -1 0 316.321 -0.163 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCCN1c1ncccn1 ZINC001100855551 827036630 /nfs/dbraw/zinc/03/66/30/827036630.db2.gz GVMWOIAVVQFBIJ-VIFPVBQESA-N -1 0 319.325 -0.736 20 0 DBADRM CN(CCNc1ncccn1)C(=O)c1cnc([O-])n(C)c1=O ZINC001101887032 827159234 /nfs/dbraw/zinc/15/92/34/827159234.db2.gz PZNNNBUYLIPLBI-UHFFFAOYSA-N -1 0 304.310 -0.540 20 0 DBADRM Cc1nccc(NCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001102050316 827181753 /nfs/dbraw/zinc/18/17/53/827181753.db2.gz HZQCFRAJJHAMQM-UHFFFAOYSA-N -1 0 305.298 -0.435 20 0 DBADRM Cc1cc(C)nc(NCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001102050324 827181815 /nfs/dbraw/zinc/18/18/15/827181815.db2.gz IMYWLGYDWVZGNF-UHFFFAOYSA-N -1 0 319.325 -0.126 20 0 DBADRM Cn1cnc([C@@H]2CN(C(=O)c3ccncc3[O-])C[C@H]2C(N)=O)c1 ZINC001275218277 833160239 /nfs/dbraw/zinc/16/02/39/833160239.db2.gz WOUPMSZNQXJFOC-GHMZBOCLSA-N -1 0 315.333 -0.138 20 0 DBADRM CN1CCN(c2cc(N[C@H]3SC(=O)[N-]C3=O)ncn2)CC1=O ZINC001163665783 833162355 /nfs/dbraw/zinc/16/23/55/833162355.db2.gz OUMREMRLGVQULY-NSHDSACASA-N -1 0 322.350 -0.524 20 0 DBADRM O=C(NCC1N=NC(=O)N1C1CC1)c1c[n-]n2c1nccc2=O ZINC001163843727 833172563 /nfs/dbraw/zinc/17/25/63/833172563.db2.gz SZLGVHMDSPSMSQ-UHFFFAOYSA-N -1 0 315.293 -0.415 20 0 DBADRM Cc1ccnc(NC[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001104038896 827318613 /nfs/dbraw/zinc/31/86/13/827318613.db2.gz DIVMZIWKLNHVIN-MRVPVSSYSA-N -1 0 321.341 -0.348 20 0 DBADRM Cc1nccc(NC[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001104038895 827318858 /nfs/dbraw/zinc/31/88/58/827318858.db2.gz DHPMUIGCXZMDHN-QMMMGPOBSA-N -1 0 321.341 -0.348 20 0 DBADRM Cc1ccnc(NC[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001104273656 827334691 /nfs/dbraw/zinc/33/46/91/827334691.db2.gz XIWBUBPNTCXYLO-ZETCQYMHSA-N -1 0 319.325 -0.141 20 0 DBADRM Cc1cc(NC[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1 ZINC001104272399 827334951 /nfs/dbraw/zinc/33/49/51/827334951.db2.gz AVJWFUFUOSKZHK-SSDOTTSWSA-N -1 0 319.325 -0.141 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNc1ncc(F)cn1 ZINC001104273601 827335437 /nfs/dbraw/zinc/33/54/37/827335437.db2.gz VPGLPUIBEDLGFB-LURJTMIESA-N -1 0 323.288 -0.310 20 0 DBADRM Cn1[n-]c(C(=O)N2C[C@H]3C[C@@]3(C(=O)N3CC=CC3)C2)cc1=O ZINC001275613229 833194127 /nfs/dbraw/zinc/19/41/27/833194127.db2.gz MEUKRVWWXMTBJA-MEBBXXQBSA-N -1 0 302.334 -0.014 20 0 DBADRM CN(C)C(=O)c1nnc2n1CCN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001275610632 833194440 /nfs/dbraw/zinc/19/44/40/833194440.db2.gz WXEIVBXEAZYCAE-UHFFFAOYSA-N -1 0 319.325 -0.925 20 0 DBADRM COCCN(C)C(=O)[C@@H]1CC12CN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001275610482 833194544 /nfs/dbraw/zinc/19/45/44/833194544.db2.gz UWZYPWYWBFEGGC-JTQLQIEISA-N -1 0 322.365 -0.307 20 0 DBADRM CN(C)C(=O)c1n[nH]c2c1CCN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001275610652 833194663 /nfs/dbraw/zinc/19/46/63/833194663.db2.gz XNAVIKIHLYQHAO-UHFFFAOYSA-N -1 0 318.337 -0.251 20 0 DBADRM CC(C)[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ncccn1 ZINC001105306444 827423234 /nfs/dbraw/zinc/42/32/34/827423234.db2.gz KJMONVONHNUIMW-QMMMGPOBSA-N -1 0 319.325 -0.061 20 0 DBADRM O=C([N-]CCNc1ncc2c(n1)NC(=O)CO2)C(F)(F)F ZINC001164244074 833198237 /nfs/dbraw/zinc/19/82/37/833198237.db2.gz SWDZBYNSKUCATR-UHFFFAOYSA-N -1 0 305.216 -0.102 20 0 DBADRM Cc1ccc(N(C)CCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001105437247 827448181 /nfs/dbraw/zinc/44/81/81/827448181.db2.gz YZRDFLQEGNJXIE-UHFFFAOYSA-N -1 0 321.341 -0.617 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNc2ccnc(C)n2)c1[O-] ZINC001105819357 827521520 /nfs/dbraw/zinc/52/15/20/827521520.db2.gz DCHNVMUIISMWGO-VIFPVBQESA-N -1 0 306.326 -0.275 20 0 DBADRM Cc1nsc(NC[C@@H](O)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001105819587 827521626 /nfs/dbraw/zinc/52/16/26/827521626.db2.gz GMRFYWNWKDUVFT-ZETCQYMHSA-N -1 0 312.355 -0.214 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNc2ccc(C)nn2)c1[O-] ZINC001105819502 827521868 /nfs/dbraw/zinc/52/18/68/827521868.db2.gz FDAADCQAQOSNPO-SECBINFHSA-N -1 0 306.326 -0.275 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNc2nccc(C)n2)c1[O-] ZINC001105820158 827522449 /nfs/dbraw/zinc/52/24/49/827522449.db2.gz SMFKKRBIHRCGFR-SECBINFHSA-N -1 0 306.326 -0.275 20 0 DBADRM NC(=O)[C@@H]1CCC[C@]12CCN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001275820440 833212095 /nfs/dbraw/zinc/21/20/95/833212095.db2.gz IUAGUFVQZDQRHV-RMLUDKJBSA-N -1 0 306.322 -0.819 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cc2cncc(F)c2)C(=O)N1S(=O)(=O)[O-] ZINC001177388357 833465822 /nfs/dbraw/zinc/46/58/22/833465822.db2.gz PEKRXRFWXJNKIU-WKEGUHRASA-N -1 0 317.298 -0.719 20 0 DBADRM C[C@@H](CCNc1cnc(F)cn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001106643806 827666676 /nfs/dbraw/zinc/66/66/76/827666676.db2.gz HHBMVULIURCTJZ-LURJTMIESA-N -1 0 323.288 -0.168 20 0 DBADRM C[C@@H](CCNc1cc(F)ncn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001106644222 827667434 /nfs/dbraw/zinc/66/74/34/827667434.db2.gz MIJBFQDCROLJIK-LURJTMIESA-N -1 0 323.288 -0.168 20 0 DBADRM CCN(CCNc1ccc(C)nn1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001106810415 827679437 /nfs/dbraw/zinc/67/94/37/827679437.db2.gz HQZDYBGPWZYFOW-UHFFFAOYSA-N -1 0 321.341 -0.252 20 0 DBADRM C[C@@]1(C(=O)NC2(CCO)CN(Cc3n[nH]c(=O)[n-]3)C2)C=CCC1 ZINC001276075514 833242299 /nfs/dbraw/zinc/24/22/99/833242299.db2.gz KIAJJHNWSRJXLR-CQSZACIVSA-N -1 0 321.381 -0.080 20 0 DBADRM Cc1nccc(NCC=CCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001107604875 827756588 /nfs/dbraw/zinc/75/65/88/827756588.db2.gz MIUPEKNTNGROMT-NSCUHMNNSA-N -1 0 317.309 -0.221 20 0 DBADRM O=C(NCC=CCNc1ncccn1)c1n[nH]c(=O)[n-]c1=O ZINC001107604881 827756812 /nfs/dbraw/zinc/75/68/12/827756812.db2.gz MNQSJVAQHVLXSD-OWOJBTEDSA-N -1 0 303.282 -0.529 20 0 DBADRM C[C@]1(CNC(=O)C(F)F)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107671813 827765530 /nfs/dbraw/zinc/76/55/30/827765530.db2.gz TXEHMNTXTAFFMC-NSHDSACASA-N -1 0 305.285 -0.518 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNc2nccn3nnnc23)c1[O-] ZINC001107688201 827769210 /nfs/dbraw/zinc/76/92/10/827769210.db2.gz CZNXVJVEZJEODP-ZCFIWIBFSA-N -1 0 317.313 -0.513 20 0 DBADRM COc1ccnc(NC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001107869208 827818363 /nfs/dbraw/zinc/81/83/63/827818363.db2.gz QVDDLEMMSFGQJD-SSDOTTSWSA-N -1 0 323.313 -0.895 20 0 DBADRM Cc1cnc(C)nc1NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001107869179 827818455 /nfs/dbraw/zinc/81/84/55/827818455.db2.gz PBQHPWLHDJHCKA-MRVPVSSYSA-N -1 0 321.341 -0.287 20 0 DBADRM Cc1ccc(NC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001107874845 827820793 /nfs/dbraw/zinc/82/07/93/827820793.db2.gz MSWDKKJTIIATOG-MRVPVSSYSA-N -1 0 307.314 -0.595 20 0 DBADRM Cc1ccnc(NC[C@@H](C)NC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001108052757 827883268 /nfs/dbraw/zinc/88/32/68/827883268.db2.gz MATHNGHQIZSZJL-SECBINFHSA-N -1 0 318.337 -0.185 20 0 DBADRM Cc1ccnc(NC[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001108208919 827920254 /nfs/dbraw/zinc/92/02/54/827920254.db2.gz VJIJRDMQONKTPY-SSDOTTSWSA-N -1 0 305.298 -0.388 20 0 DBADRM CCN(CCC(N)=O)c1ccc(S(=O)(=O)[N-]C(C)=O)cn1 ZINC001166590173 833276213 /nfs/dbraw/zinc/27/62/13/833276213.db2.gz ZEKYNRDHSFAWRC-UHFFFAOYSA-N -1 0 314.367 -0.392 20 0 DBADRM C[C@@H](CNc1ncc(F)cn1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001108634660 828032307 /nfs/dbraw/zinc/03/23/07/828032307.db2.gz QTTSGNMSZADPBQ-ZETCQYMHSA-N -1 0 322.300 -0.355 20 0 DBADRM O=C([O-])Cc1nccnc1N1CCN(C2CCOCC2)C(=O)C1 ZINC001166914454 833285004 /nfs/dbraw/zinc/28/50/04/833285004.db2.gz CHQGUGWDDIAXED-UHFFFAOYSA-N -1 0 320.349 -0.069 20 0 DBADRM Cc1ccc(N(C)C[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001109044010 828081738 /nfs/dbraw/zinc/08/17/38/828081738.db2.gz KEIVJYUHFWULPU-VIFPVBQESA-N -1 0 321.341 -0.571 20 0 DBADRM CC(C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109224566 828103372 /nfs/dbraw/zinc/10/33/72/828103372.db2.gz ISQKLSNFCDZNOS-UTLUCORTSA-N -1 0 309.370 -0.107 20 0 DBADRM C[C@@H](CN(C)c1ncc(F)cn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001109310077 828109693 /nfs/dbraw/zinc/10/96/93/828109693.db2.gz XPPBUZBVUHDXAV-LURJTMIESA-N -1 0 323.288 -0.533 20 0 DBADRM CN(CCCNc1ncc(F)cn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001109665487 828129251 /nfs/dbraw/zinc/12/92/51/828129251.db2.gz BTEBACYRDMXAEY-UHFFFAOYSA-N -1 0 323.288 -0.214 20 0 DBADRM Cc1nccc(NCCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001109665597 828129296 /nfs/dbraw/zinc/12/92/96/828129296.db2.gz HKBOHWWBAONQJV-UHFFFAOYSA-N -1 0 319.325 -0.045 20 0 DBADRM O=C(N[C@H](CNc1ncccn1)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001110017230 828147954 /nfs/dbraw/zinc/14/79/54/828147954.db2.gz RUHDFXOEBPVYHN-MRVPVSSYSA-N -1 0 317.309 -0.307 20 0 DBADRM Cc1ccnc(NC2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)n1 ZINC001110195456 828156608 /nfs/dbraw/zinc/15/66/08/828156608.db2.gz JGJAXQDAIMBFJQ-UHFFFAOYSA-N -1 0 319.325 -0.451 20 0 DBADRM Cc1nccc(NC2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)n1 ZINC001110195428 828157061 /nfs/dbraw/zinc/15/70/61/828157061.db2.gz HKPAQIGNRCDEII-UHFFFAOYSA-N -1 0 319.325 -0.451 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(Nc2nccnc2F)CC1 ZINC001110196232 828157350 /nfs/dbraw/zinc/15/73/50/828157350.db2.gz AUTPLXBNCKAHQN-UHFFFAOYSA-N -1 0 323.288 -0.621 20 0 DBADRM Cc1nsc(NC2(CNC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)n1 ZINC001110406630 828177380 /nfs/dbraw/zinc/17/73/80/828177380.db2.gz XADIXXPQSMMOHG-UHFFFAOYSA-N -1 0 323.338 -0.183 20 0 DBADRM CCNS(=O)(=O)c1cnc(N[C@@H]2CO[N-]C2=O)c(Cl)c1 ZINC001167514451 833301850 /nfs/dbraw/zinc/30/18/50/833301850.db2.gz ZWPWPHHPJAQKBO-MRVPVSSYSA-N -1 0 320.758 -0.125 20 0 DBADRM O=C1[N-]OC[C@H]1Nc1nc(Cl)cc([C@@H]2CCC(=O)NC2)n1 ZINC001167513561 833302068 /nfs/dbraw/zinc/30/20/68/833302068.db2.gz NDMYLBUTKMJHIR-HTRCEHHLSA-N -1 0 311.729 -0.035 20 0 DBADRM CCOC(=O)c1nc2cnccc2c(N[C@@H]2CO[N-]C2=O)n1 ZINC001167511131 833302092 /nfs/dbraw/zinc/30/20/92/833302092.db2.gz RLZLVRONURWJOW-SECBINFHSA-N -1 0 303.278 -0.535 20 0 DBADRM O=C1[N-]S(=O)(=O)c2cc(N[C@H]3CCC(=O)NC3=O)ccc21 ZINC001167573093 833304851 /nfs/dbraw/zinc/30/48/51/833304851.db2.gz KBWRQYSXJVEOFA-QMMMGPOBSA-N -1 0 309.303 -0.664 20 0 DBADRM Cn1c(=O)cc(Nc2cccc(S(=O)(=O)[O-])n2)n(C)c1=O ZINC001167771009 833309126 /nfs/dbraw/zinc/30/91/26/833309126.db2.gz NXMGUPXNSJUYPC-UHFFFAOYSA-N -1 0 312.307 -0.531 20 0 DBADRM C[C@H]1[C@H](Nc2nnc(Cl)cc2N)C(=O)N1S(=O)(=O)[O-] ZINC001167858430 833311511 /nfs/dbraw/zinc/31/15/11/833311511.db2.gz OYHFSHNTZZWUMT-DZSWIPIPSA-N -1 0 307.719 -0.474 20 0 DBADRM C[C@H]1[C@H](Nc2nccc(N(C)C)n2)C(=O)N1S(=O)(=O)[O-] ZINC001167857700 833311624 /nfs/dbraw/zinc/31/16/24/833311624.db2.gz HGWBPCYHTZLQOW-XPUUQOCRSA-N -1 0 301.328 -0.643 20 0 DBADRM Cc1nc2c(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)cccn2n1 ZINC001167858439 833311687 /nfs/dbraw/zinc/31/16/87/833311687.db2.gz ITKCKHBKBJKFLD-RCOVLWMOSA-N -1 0 311.323 -0.148 20 0 DBADRM C[C@H]1[C@H](Nc2ncc3c(n2)COC3)C(=O)N1S(=O)(=O)[O-] ZINC001167858373 833311702 /nfs/dbraw/zinc/31/17/02/833311702.db2.gz HTTBVNBBSKXZIB-XNCJUZBTSA-N -1 0 300.296 -0.679 20 0 DBADRM C[C@H]1[C@H](Nc2ccc3c(n2)CCOC3)C(=O)N1S(=O)(=O)[O-] ZINC001167858323 833311706 /nfs/dbraw/zinc/31/17/06/833311706.db2.gz MZDGEPRTCAUXKA-CPCISQLKSA-N -1 0 313.335 -0.032 20 0 DBADRM C[C@H]1[C@H](Nc2cncc3c2CC(=O)N3)C(=O)N1S(=O)(=O)[O-] ZINC001167862180 833311884 /nfs/dbraw/zinc/31/18/84/833311884.db2.gz ZGNWZRRLPCHWHR-RRAGMBSWSA-N -1 0 312.307 -0.610 20 0 DBADRM COCOc1cncc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001167861154 833311940 /nfs/dbraw/zinc/31/19/40/833311940.db2.gz GDLUSPAUQNHYIP-XVKPBYJWSA-N -1 0 317.323 -0.122 20 0 DBADRM C[C@H]1[C@H](Nc2nccc3nccnc32)C(=O)N1S(=O)(=O)[O-] ZINC001167859334 833311950 /nfs/dbraw/zinc/31/19/50/833311950.db2.gz WRRVPEWLDSCNCY-XPUUQOCRSA-N -1 0 309.307 -0.161 20 0 DBADRM CCn1nccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1=O ZINC001167861655 833312061 /nfs/dbraw/zinc/31/20/61/833312061.db2.gz MTMAEKSDIUVDJK-XPUUQOCRSA-N -1 0 302.312 -0.923 20 0 DBADRM C[C@H]1[C@H](Nc2ccccc2CC(N)=O)C(=O)N1S(=O)(=O)[O-] ZINC001167862210 833312512 /nfs/dbraw/zinc/31/25/12/833312512.db2.gz RFNCYNNSJXKZKL-CPCISQLKSA-N -1 0 313.335 -0.472 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNc2cnc(F)cn2)c1[O-] ZINC001111457341 828272698 /nfs/dbraw/zinc/27/26/98/828272698.db2.gz TWNUTYMJCNODHX-UHFFFAOYSA-N -1 0 324.316 -0.101 20 0 DBADRM NC(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111506485 828282940 /nfs/dbraw/zinc/28/29/40/828282940.db2.gz PGBGKYBYYAAWEL-BBBLOLIVSA-N -1 0 322.369 -0.613 20 0 DBADRM N=C(Nc1ccnc(C(N)=O)c1)SCCS(=O)(=O)[O-] ZINC001168090915 833317767 /nfs/dbraw/zinc/31/77/67/833317767.db2.gz QIINFAJASKNFGE-UHFFFAOYSA-N -1 0 304.353 -0.430 20 0 DBADRM N=C(Nc1cnc(C(N)=O)nc1)SCCS(=O)(=O)[O-] ZINC001168091321 833317852 /nfs/dbraw/zinc/31/78/52/833317852.db2.gz ZOADFUZZNHZYRG-UHFFFAOYSA-N -1 0 305.341 -0.457 20 0 DBADRM N=C(Nc1ncc2c(n1)NC(=O)C2)SCCS(=O)(=O)[O-] ZINC001168088002 833317943 /nfs/dbraw/zinc/31/79/43/833317943.db2.gz IPGWNFCBZUEXOG-UHFFFAOYSA-N -1 0 317.352 -0.061 20 0 DBADRM C[C@H]1CN(c2ccc(NCCOP(=O)([O-])[O-])nn2)CC[NH2+]1 ZINC001168587664 833325632 /nfs/dbraw/zinc/32/56/32/833325632.db2.gz UQIAFMKEFXTRDA-VIFPVBQESA-N -1 0 317.286 -0.204 20 0 DBADRM CCCCS(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O ZINC001115852769 828867402 /nfs/dbraw/zinc/86/74/02/828867402.db2.gz LZSLKFVHGWZBBI-UHFFFAOYSA-N -1 0 305.356 -0.436 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)N(C)C)C1=O ZINC001115884035 828868796 /nfs/dbraw/zinc/86/87/96/828868796.db2.gz DPCPXTQXPZFTDB-UHFFFAOYSA-N -1 0 320.371 -0.980 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)CN2CCSC2=O)n[n-]1 ZINC001115917370 828869510 /nfs/dbraw/zinc/86/95/10/828869510.db2.gz BEDHDBOORJNQCM-UHFFFAOYSA-N -1 0 305.341 -0.685 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)CCC1 ZINC001116058903 828874946 /nfs/dbraw/zinc/87/49/46/828874946.db2.gz BBURXPJHUFZOTL-UHFFFAOYSA-N -1 0 300.340 -0.859 20 0 DBADRM Cn1nc(C(C)(C)C)cc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC001116104067 828876555 /nfs/dbraw/zinc/87/65/55/828876555.db2.gz RIUXTFLRFRTEFS-UHFFFAOYSA-N -1 0 306.330 -0.514 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)NCCCc2n[nH]c(=O)[n-]2)CC1 ZINC001116194645 828881427 /nfs/dbraw/zinc/88/14/27/828881427.db2.gz RQFLQEDQXNXCCA-UHFFFAOYSA-N -1 0 316.383 -0.226 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001116447045 828895582 /nfs/dbraw/zinc/89/55/82/828895582.db2.gz SIULRGRVYCJOPJ-WHFBIAKZSA-N -1 0 308.216 -0.564 20 0 DBADRM Cn1nc(C(C)(C)C)cc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001116508790 828899038 /nfs/dbraw/zinc/89/90/38/828899038.db2.gz GBKAYGQCAMTHRK-UHFFFAOYSA-N -1 0 321.341 -0.204 20 0 DBADRM CC(C)(C)n1cc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cn1 ZINC001116513910 828899751 /nfs/dbraw/zinc/89/97/51/828899751.db2.gz OVWNYAKMNFGXAL-UHFFFAOYSA-N -1 0 307.314 -0.283 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N(C)c1nncs1 ZINC001116629696 828904436 /nfs/dbraw/zinc/90/44/36/828904436.db2.gz ONNNTJXVTFECAU-UHFFFAOYSA-N -1 0 308.385 -0.543 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001116633185 828904665 /nfs/dbraw/zinc/90/46/65/828904665.db2.gz RLENBMBUARIQOP-JTQLQIEISA-N -1 0 321.399 -0.350 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccccc1CC(=O)NC ZINC001116642656 828905175 /nfs/dbraw/zinc/90/51/75/828905175.db2.gz WTZUTWJUJVCZQP-UHFFFAOYSA-N -1 0 323.349 -0.002 20 0 DBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)NCc1nc(=O)o[n-]1 ZINC001116695640 828907259 /nfs/dbraw/zinc/90/72/59/828907259.db2.gz YJWSPSLGBKEUPP-UHFFFAOYSA-N -1 0 303.282 -0.479 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC001116717111 828909217 /nfs/dbraw/zinc/90/92/17/828909217.db2.gz MCPZKPXMBGWNEG-UHFFFAOYSA-N -1 0 315.289 -0.385 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccnc1N1CCCCC1 ZINC001116734868 828910405 /nfs/dbraw/zinc/91/04/05/828910405.db2.gz CHKBRVCXBKQVBA-UHFFFAOYSA-N -1 0 321.337 -0.457 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC001116735105 828910762 /nfs/dbraw/zinc/91/07/62/828910762.db2.gz LOBDVVWCYBQYBR-UHFFFAOYSA-N -1 0 308.262 -0.016 20 0 DBADRM CCn1cc(-c2nn(C)cc2C(=O)[N-]N2CC(=O)NC2=O)cn1 ZINC001116792024 828913283 /nfs/dbraw/zinc/91/32/83/828913283.db2.gz YEHYSJWSXBUEIN-UHFFFAOYSA-N -1 0 317.309 -0.500 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC1CCC(C(=O)OC)CC1 ZINC001117281335 828955416 /nfs/dbraw/zinc/95/54/16/828955416.db2.gz MDFNSQPCELWMLG-UHFFFAOYSA-N -1 0 316.354 -0.081 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NC[C@@H](OC)C(F)(F)F ZINC001117333893 828963442 /nfs/dbraw/zinc/96/34/42/828963442.db2.gz CNXYNCGPIJQSOZ-SSDOTTSWSA-N -1 0 302.249 -0.236 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NC[C@H]1CCCN(C(C)=O)C1 ZINC001117354267 828966356 /nfs/dbraw/zinc/96/63/56/828966356.db2.gz BAQZLAHPDNNTSE-LLVKDONJSA-N -1 0 317.411 -0.228 20 0 DBADRM CC(C)(O)c1cccc(NC(=O)C(=O)NCc2nnn[n-]2)c1 ZINC001117383139 828970559 /nfs/dbraw/zinc/97/05/59/828970559.db2.gz YJSOSVYJNPUPNR-UHFFFAOYSA-N -1 0 304.310 -0.318 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC001117700000 829008669 /nfs/dbraw/zinc/00/86/69/829008669.db2.gz OKMXLXIUXCBUGM-UHFFFAOYSA-N -1 0 321.244 -0.070 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCn3ncnc3C2)CC1 ZINC001118241866 829054705 /nfs/dbraw/zinc/05/47/05/829054705.db2.gz PRFXFBKMIHJARA-UHFFFAOYSA-N -1 0 321.337 -0.666 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CCCN1C(=O)CCC1=O)C(=O)[O-] ZINC001118261061 829058286 /nfs/dbraw/zinc/05/82/86/829058286.db2.gz RLUXQNPLYLDEBE-ZDUSSCGKSA-N -1 0 322.321 -0.409 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[C@H]1CCCCO1 ZINC001118291682 829063730 /nfs/dbraw/zinc/06/37/30/829063730.db2.gz ZIUZSZBCIIVQPS-SNVBAGLBSA-N -1 0 301.343 -0.754 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)[C@](C)(OC)C1CC1 ZINC001118297111 829065018 /nfs/dbraw/zinc/06/50/18/829065018.db2.gz KFUBNKWDZVNSEF-OTYXRUKQSA-N -1 0 315.370 -0.510 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC001118301229 829065712 /nfs/dbraw/zinc/06/57/12/829065712.db2.gz NIWHRAIICYCBTH-JTQLQIEISA-N -1 0 323.353 -0.700 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1cccc2c1CNC2=O)C(=O)[O-] ZINC001118326185 829069322 /nfs/dbraw/zinc/06/93/22/829069322.db2.gz RBEOQRAGXFKDTG-SSDOTTSWSA-N -1 0 305.290 -0.295 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)c2ccccc21 ZINC001118344591 829072532 /nfs/dbraw/zinc/07/25/32/829072532.db2.gz MAAXWZXQJFRSSQ-QWRGUYRKSA-N -1 0 317.301 -0.032 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](CC)c1ccncc1 ZINC001118353835 829074107 /nfs/dbraw/zinc/07/41/07/829074107.db2.gz VPKWXRTTYFOKDP-LLVKDONJSA-N -1 0 308.338 -0.167 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001118353336 829074247 /nfs/dbraw/zinc/07/42/47/829074247.db2.gz DKQZOLGWKYAHGQ-IEBDPFPHSA-N -1 0 313.354 -0.900 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](CC)c1ccncc1 ZINC001118353836 829074431 /nfs/dbraw/zinc/07/44/31/829074431.db2.gz VPKWXRTTYFOKDP-NSHDSACASA-N -1 0 308.338 -0.167 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC001118352265 829074670 /nfs/dbraw/zinc/07/46/70/829074670.db2.gz DADMIBCKQLLWLB-SECBINFHSA-N -1 0 309.326 -0.913 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC001118359465 829075272 /nfs/dbraw/zinc/07/52/72/829075272.db2.gz NQJGTCPFVWARJF-VHSXEESVSA-N -1 0 301.343 -0.898 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)CCOC2)C(=O)[O-] ZINC001118480435 829089912 /nfs/dbraw/zinc/08/99/12/829089912.db2.gz BWODHURCNVTAPM-HNNXBMFYSA-N -1 0 322.317 -0.350 20 0 DBADRM O=C([O-])CN1CC[C@H](N2C(=O)NC3(CCC(=O)CC3)C2=O)C1=O ZINC001118516191 829097821 /nfs/dbraw/zinc/09/78/21/829097821.db2.gz BGWNXUKMIRPFAG-VIFPVBQESA-N -1 0 323.305 -0.894 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001118535577 829101980 /nfs/dbraw/zinc/10/19/80/829101980.db2.gz AYWLFFYYLGFGJC-AOUSDQRYSA-N -1 0 318.395 -0.417 20 0 DBADRM COCCCn1nc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)ccc1=O ZINC001118546261 829103234 /nfs/dbraw/zinc/10/32/34/829103234.db2.gz QXYUJLIYNDNIKD-AOOOYVTPSA-N -1 0 309.322 -0.127 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001118575330 829107431 /nfs/dbraw/zinc/10/74/31/829107431.db2.gz ZAOWSFVLDFZQSK-NSHDSACASA-N -1 0 308.356 -0.984 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001118862073 829141419 /nfs/dbraw/zinc/14/14/19/829141419.db2.gz UIQOSERATLUDIX-UHFFFAOYSA-N -1 0 323.353 -0.326 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCn3ncnc3C2)CC[C@H]1C(=O)[O-] ZINC001118958478 829197987 /nfs/dbraw/zinc/19/79/87/829197987.db2.gz CLCSMBPGHORNDH-NXEZZACHSA-N -1 0 321.337 -0.811 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CCCCO)CC[C@H]1C(=O)[O-] ZINC001118958245 829198265 /nfs/dbraw/zinc/19/82/65/829198265.db2.gz CDDKIBWJTZDTNO-GHMZBOCLSA-N -1 0 300.355 -0.214 20 0 DBADRM COC[C@H](NC(=O)/C=C\c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC001118974293 829199967 /nfs/dbraw/zinc/19/99/67/829199967.db2.gz ZVKJRRWKOKDHNF-LVCFMKKZSA-N -1 0 317.319 -0.088 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](N[C@H]2SC(=O)[N-]C2=O)C[C@@H]1C(=O)OC ZINC001173563811 833377933 /nfs/dbraw/zinc/37/79/33/833377933.db2.gz CGCYWOZQZMDQEI-LKHWLPBLSA-N -1 0 316.335 -0.374 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001119398500 829257754 /nfs/dbraw/zinc/25/77/54/829257754.db2.gz XIMGVJDXSPMQPI-KKOKHZNYSA-N -1 0 310.350 -0.007 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H](C)CSC)C1 ZINC001119393342 829257806 /nfs/dbraw/zinc/25/78/06/829257806.db2.gz WYVAQKDQQZSSGI-TVQRCGJNSA-N -1 0 318.395 -0.196 20 0 DBADRM CNC(=O)c1cc([N-]S(=O)(=O)c2cncc(N)c2)ccn1 ZINC001175411800 833390031 /nfs/dbraw/zinc/39/00/31/833390031.db2.gz QYOOOGBOVCFDLG-UHFFFAOYSA-N -1 0 307.335 -0.359 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCCSC[C@H]1C1CC1 ZINC001119848239 829312667 /nfs/dbraw/zinc/31/26/67/829312667.db2.gz JVJKXNYKHLXZBA-JTQLQIEISA-N -1 0 315.395 -0.476 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC001119848215 829313326 /nfs/dbraw/zinc/31/33/26/829313326.db2.gz JELWNLWILXQXHE-BQBZGAKWSA-N -1 0 311.260 -0.421 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCCC2(CCOCC2)C1 ZINC001119924480 829324279 /nfs/dbraw/zinc/32/42/79/829324279.db2.gz ARHNIIPXHVXCDN-UHFFFAOYSA-N -1 0 313.354 -0.801 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N(C)CCC1CCOCC1 ZINC001120206076 829341620 /nfs/dbraw/zinc/34/16/20/829341620.db2.gz HDWISBJMUPNSRO-UHFFFAOYSA-N -1 0 312.374 -0.006 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCc2ccccc2CC1 ZINC001120285081 829347738 /nfs/dbraw/zinc/34/77/38/829347738.db2.gz JUTBKYGEJINHIU-UHFFFAOYSA-N -1 0 302.338 -0.044 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)Nc1nccnc1F ZINC001120928111 829411745 /nfs/dbraw/zinc/41/17/45/829411745.db2.gz HNUJZBFYTUUIRN-LURJTMIESA-N -1 0 323.288 -0.216 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC001121079415 829427126 /nfs/dbraw/zinc/42/71/26/829427126.db2.gz DMNFDZJVYMAKGO-UHFFFAOYSA-N -1 0 308.338 -0.207 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)Nc2nccc(C)n2)c1[O-] ZINC001121454975 829484334 /nfs/dbraw/zinc/48/43/34/829484334.db2.gz MNWRDISZTFGDRL-SECBINFHSA-N -1 0 306.326 -0.275 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC001121843032 829518213 /nfs/dbraw/zinc/51/82/13/829518213.db2.gz ARZDHJZUGWJHNJ-AYMMMOKOSA-N -1 0 317.292 -0.032 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)NCCO[C@@H]2CC2(F)F)CC1 ZINC001121836427 829518419 /nfs/dbraw/zinc/51/84/19/829518419.db2.gz OOHNCKUHVQVJHT-MRVPVSSYSA-N -1 0 321.280 -0.651 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CC1 ZINC001121917798 829527828 /nfs/dbraw/zinc/52/78/28/829527828.db2.gz OODPOALPKMKLPV-RNWYCLNJSA-N -1 0 323.349 -0.652 20 0 DBADRM COC[C@H](CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C(C)C ZINC001121922082 829529038 /nfs/dbraw/zinc/52/90/38/829529038.db2.gz WWMDBSBRCMXIDD-NSHDSACASA-N -1 0 315.370 -0.157 20 0 DBADRM Cc1nc(NC(=O)Cc2nnn[n-]2)cc(N2CCOCC2)n1 ZINC001176838069 833421370 /nfs/dbraw/zinc/42/13/70/833421370.db2.gz PUSRFKGEOJPSDE-UHFFFAOYSA-N -1 0 304.314 -0.684 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCN(c2nccnc2Cl)CC1 ZINC001176840107 833422024 /nfs/dbraw/zinc/42/20/24/833422024.db2.gz LHYKAYFIYZJPJN-UHFFFAOYSA-N -1 0 308.733 -0.466 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001176840279 833422063 /nfs/dbraw/zinc/42/20/63/833422063.db2.gz OAKFFWZXQDZXON-IMTBSYHQSA-N -1 0 311.239 -0.004 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001176840278 833422133 /nfs/dbraw/zinc/42/21/33/833422133.db2.gz OAKFFWZXQDZXON-HZGVNTEJSA-N -1 0 311.239 -0.004 20 0 DBADRM CCOC(=O)c1nc2c(o1)CCN(C(=O)Cc1nnn[n-]1)C2 ZINC001176840146 833422247 /nfs/dbraw/zinc/42/22/47/833422247.db2.gz HLIRTKKICMWJDI-UHFFFAOYSA-N -1 0 306.282 -0.508 20 0 DBADRM O=C(Cc1nnn[n-]1)NC1CCN(c2ccc(Cl)nn2)CC1 ZINC001176837811 833422411 /nfs/dbraw/zinc/42/24/11/833422411.db2.gz IBQSGURLTYGCCR-UHFFFAOYSA-N -1 0 322.760 -0.029 20 0 DBADRM CC(=O)N1CCC(n2nccc2NC(=O)Cc2nnn[n-]2)CC1 ZINC001176840717 833422805 /nfs/dbraw/zinc/42/28/05/833422805.db2.gz WBCYAISRYYEGFS-UHFFFAOYSA-N -1 0 318.341 -0.239 20 0 DBADRM CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)Cc1nnn[n-]1 ZINC001176841282 833423817 /nfs/dbraw/zinc/42/38/17/833423817.db2.gz VNBCESBKTDEELS-NSHDSACASA-N -1 0 305.298 -0.846 20 0 DBADRM O=C(Cc1nnn[n-]1)N[C@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001176847261 833424273 /nfs/dbraw/zinc/42/42/73/833424273.db2.gz NXNYPVUCOPDNSQ-VIFPVBQESA-N -1 0 318.312 -0.088 20 0 DBADRM Cn1cc(Br)cc(NC(=O)Cc2nn[n-]n2)c1=O ZINC001176844684 833425000 /nfs/dbraw/zinc/42/50/00/833425000.db2.gz FTGOTNDXRGQKSK-UHFFFAOYSA-N -1 0 313.115 -0.158 20 0 DBADRM CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)Cc1nnn[n-]1 ZINC001176844958 833425250 /nfs/dbraw/zinc/42/52/50/833425250.db2.gz LDDOVSVKDXFLQC-SFYZADRCSA-N -1 0 312.330 -0.850 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNCc2nnc3n2CCCC3)c1[O-] ZINC001125729326 829875681 /nfs/dbraw/zinc/87/56/81/829875681.db2.gz XGLFYTGXMQAKSF-UHFFFAOYSA-N -1 0 319.369 -0.129 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC001179623168 833553630 /nfs/dbraw/zinc/55/36/30/833553630.db2.gz FAAWANNJYSCSHC-UHFFFAOYSA-N -1 0 323.353 -0.651 20 0 DBADRM C[C@]1(CO)CCN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])C[C@@H]1O ZINC001180172027 833571183 /nfs/dbraw/zinc/57/11/83/833571183.db2.gz JANMCHFRGVMSBU-IMTBSYHQSA-N -1 0 317.235 -0.067 20 0 DBADRM CN1C[C@H](CNC(=O)C(F)(F)C(F)(F)C(=O)[O-])CC1=O ZINC001180176617 833571958 /nfs/dbraw/zinc/57/19/58/833571958.db2.gz IZELRQSGFNBYQI-YFKPBYRVSA-N -1 0 300.208 -0.064 20 0 DBADRM C[C@@H](C(=O)NC(=N)SCCS(=O)(=O)[O-])N1CCCC1=O ZINC001181313600 833626628 /nfs/dbraw/zinc/62/66/28/833626628.db2.gz OYZKRQWTQHAVCL-ZETCQYMHSA-N -1 0 323.396 -0.331 20 0 DBADRM O=C(NCCNC/C(Cl)=C/Cl)c1n[nH]c(=O)[n-]c1=O ZINC001130862823 830400341 /nfs/dbraw/zinc/40/03/41/830400341.db2.gz HIAJWXRCMAUPNA-HYXAFXHYSA-N -1 0 308.125 -0.079 20 0 DBADRM CN(C(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1nnn[n-]1 ZINC001131170284 830438850 /nfs/dbraw/zinc/43/88/50/830438850.db2.gz WMUSNVXXQIMDKM-UHFFFAOYSA-N -1 0 315.293 -0.472 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001131765448 830521148 /nfs/dbraw/zinc/52/11/48/830521148.db2.gz YVYZJTWOJFBUIH-PSASIEDQSA-N -1 0 310.358 -0.885 20 0 DBADRM C[C@H](NCCNC(=O)c1cnc([O-])n(C)c1=O)c1ncccn1 ZINC001132241979 830612256 /nfs/dbraw/zinc/61/22/56/830612256.db2.gz FJCJTOYPZSXGDB-VIFPVBQESA-N -1 0 318.337 -0.644 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)CC(=O)N(C)C)CN1Cc1n[nH]c(=O)[n-]1 ZINC001132352906 830635728 /nfs/dbraw/zinc/63/57/28/830635728.db2.gz BXYWSIHWXMHVGV-NXEZZACHSA-N -1 0 324.385 -0.542 20 0 DBADRM N=C(NC(=O)c1ccc(=O)[nH]n1)SCCS(=O)(=O)[O-] ZINC001181703170 833640860 /nfs/dbraw/zinc/64/08/60/833640860.db2.gz FMGKVOUOKQIGHP-YFKPBYRVSA-N -1 0 306.325 -0.424 20 0 DBADRM Nc1c2c(=O)nccc-2[n-]n1C(=O)Cn1nc(Cl)ccc1=O ZINC001181896668 833648166 /nfs/dbraw/zinc/64/81/66/833648166.db2.gz RSDLEJOEZYKBBN-UHFFFAOYSA-N -1 0 320.696 -0.191 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC001134634775 830959992 /nfs/dbraw/zinc/95/99/92/830959992.db2.gz KZNYRNZPWDSOIW-UHFFFAOYSA-N -1 0 316.317 -0.301 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)CCCc1nnn[n-]1 ZINC001136231566 831160809 /nfs/dbraw/zinc/16/08/09/831160809.db2.gz YVYOLOATVNOKOA-UHFFFAOYSA-N -1 0 318.403 -0.690 20 0 DBADRM COc1nsc(OC)c1C(=O)[N-]N1CC(=O)N(C)C1=O ZINC001137608277 831170626 /nfs/dbraw/zinc/17/06/26/831170626.db2.gz XRTNDBIUKZNROS-UHFFFAOYSA-N -1 0 300.296 -0.301 20 0 DBADRM COCCO[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001138279757 831174655 /nfs/dbraw/zinc/17/46/55/831174655.db2.gz KPEYEKDDWKYFGU-SNVBAGLBSA-N -1 0 314.342 -0.267 20 0 DBADRM O=C(CN1CCCCC(=O)C1=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001138658728 831177074 /nfs/dbraw/zinc/17/70/74/831177074.db2.gz DATFCEBTUWOEBT-SNVBAGLBSA-N -1 0 320.353 -0.513 20 0 DBADRM O=C(c1cn2cccnc2n1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001138986737 831177661 /nfs/dbraw/zinc/17/76/61/831177661.db2.gz GOFNLKXEMVGQJP-UHFFFAOYSA-N -1 0 314.309 -0.634 20 0 DBADRM COCCO[C@H]1C[C@H](CO)CN(C(=O)CCc2nnn[n-]2)C1 ZINC001139658185 831181355 /nfs/dbraw/zinc/18/13/55/831181355.db2.gz NHLDVNVQUACRGI-QWRGUYRKSA-N -1 0 313.358 -0.995 20 0 DBADRM COCCOCCN(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001141684250 831194276 /nfs/dbraw/zinc/19/42/76/831194276.db2.gz ZGUMPVBOOCJFAC-UHFFFAOYSA-N -1 0 320.353 -0.190 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCN1C(=O)CSC1=O ZINC001141952118 831197923 /nfs/dbraw/zinc/19/79/23/831197923.db2.gz NSUCCEPPIRSDLA-UHFFFAOYSA-N -1 0 317.352 -0.586 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)CNC(=O)c1cccnc1 ZINC001142110847 831203365 /nfs/dbraw/zinc/20/33/65/831203365.db2.gz KLNGWCFDFXACGE-JTQLQIEISA-N -1 0 323.305 -0.666 20 0 DBADRM Cc1cnn(CC(=O)NC(=N)SCCS(=O)(=O)[O-])c1 ZINC001142175295 831206809 /nfs/dbraw/zinc/20/68/09/831206809.db2.gz CVPCLIKGPUIYBY-UHFFFAOYSA-N -1 0 306.369 -0.137 20 0 DBADRM COc1ncc(C=CC(=O)N[C@@H]2SC(=O)[N-]C2=O)c(OC)n1 ZINC001142452359 831213083 /nfs/dbraw/zinc/21/30/83/831213083.db2.gz NMPMRKXYDOOGJF-HMDXOVGESA-N -1 0 324.318 -0.068 20 0 DBADRM CC(C)(C)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001142770116 831218623 /nfs/dbraw/zinc/21/86/23/831218623.db2.gz KQXBZQLJIUJUPB-UHFFFAOYSA-N -1 0 305.316 -0.605 20 0 DBADRM C[C@H]1[C@H](NC(=O)CCC(F)(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001143146486 831229248 /nfs/dbraw/zinc/22/92/48/831229248.db2.gz SWWHMDZSQSCMLP-NJGYIYPDSA-N -1 0 304.246 -0.153 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)Cn1c2ccccc2oc1=O ZINC001143360746 831236355 /nfs/dbraw/zinc/23/63/55/831236355.db2.gz HGCOLWIXERPTTK-UHFFFAOYSA-N -1 0 304.262 -0.071 20 0 DBADRM CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)C(=O)[O-])C2 ZINC001143413054 831237104 /nfs/dbraw/zinc/23/71/04/831237104.db2.gz HVPFOZWDECUERO-CQSZACIVSA-N -1 0 314.338 -0.817 20 0 DBADRM Cn1ccc(CN2CCOCC23CCN(C(=O)C(=O)[O-])CC3)n1 ZINC001143420341 831237280 /nfs/dbraw/zinc/23/72/80/831237280.db2.gz UWQZNUYUNIOAHT-UHFFFAOYSA-N -1 0 322.365 -0.302 20 0 DBADRM O=C([O-])C(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001143419318 831237320 /nfs/dbraw/zinc/23/73/20/831237320.db2.gz KAQDUAXZIPGNIZ-UHFFFAOYSA-N -1 0 320.305 -0.714 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CCCS1(=O)=O ZINC001143481061 831239036 /nfs/dbraw/zinc/23/90/36/831239036.db2.gz PJYISNJDOSSRCH-YUMQZZPRSA-N -1 0 307.324 -0.914 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H]1[C@@H](O)CCN1Cc1ccccc1 ZINC001143675595 831241607 /nfs/dbraw/zinc/24/16/07/831241607.db2.gz JAHMESSLYLNYSL-WCQYABFASA-N -1 0 302.338 -0.549 20 0 DBADRM O=C(NCS(=O)(=O)[O-])[C@@H]1[C@@H](O)CCN1Cc1ccccc1 ZINC001143677791 831242858 /nfs/dbraw/zinc/24/28/58/831242858.db2.gz VDAQDDUQRHZXSC-RYUDHWBXSA-N -1 0 314.363 -0.417 20 0 DBADRM C/C=C(\C)C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001143936970 831244127 /nfs/dbraw/zinc/24/41/27/831244127.db2.gz RSWMVVPMSMZZPI-GTAVMOOUSA-N -1 0 303.300 -0.685 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1cc[nH]c1 ZINC001146891292 831305989 /nfs/dbraw/zinc/30/59/89/831305989.db2.gz AROPGPHCYUQZBH-NSHDSACASA-N -1 0 319.321 -0.330 20 0 DBADRM Cc1ncnc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1C ZINC001147071483 831334588 /nfs/dbraw/zinc/33/45/88/831334588.db2.gz HADIUHKRYFRZNL-CBAPKCEASA-N -1 0 314.323 -0.775 20 0 DBADRM CCNC(=O)CC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001147387469 831367765 /nfs/dbraw/zinc/36/77/65/831367765.db2.gz ZSOWQBHUSKWZQM-UHFFFAOYSA-N -1 0 322.369 -0.929 20 0 DBADRM CC1=C(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)SC(C)N1 ZINC001147745925 831403979 /nfs/dbraw/zinc/40/39/79/831403979.db2.gz UJGOXQXXHJDKCO-FSPLSTOPSA-N -1 0 320.372 -0.418 20 0 DBADRM NC(=O)c1nccnc1C(=O)NCCCC[P@@](=O)([O-])O ZINC001147760127 831405482 /nfs/dbraw/zinc/40/54/82/831405482.db2.gz OFFACMFNADWTNF-UHFFFAOYSA-N -1 0 302.227 -0.737 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)C1=CN2C(=CC=C[C@H]2C(F)(F)F)N1 ZINC001148012837 831423776 /nfs/dbraw/zinc/42/37/76/831423776.db2.gz PCYYKSAVUKEMDC-SFYZADRCSA-N -1 0 316.239 -0.379 20 0 DBADRM Cn1ccc(C(=O)N=c2ncnc3[nH][nH]cc2-3)c1CC(=O)[O-] ZINC001177361345 833464700 /nfs/dbraw/zinc/46/47/00/833464700.db2.gz UXNCWZCMKDMXCT-UHFFFAOYSA-N -1 0 300.278 -0.056 20 0 DBADRM Cn1ccc(C(=O)N[C@@H]2COCCC23OCCO3)c1CC(=O)[O-] ZINC001177371367 833465161 /nfs/dbraw/zinc/46/51/61/833465161.db2.gz YXMKGEQRFGHZLO-GFCCVEGCSA-N -1 0 324.333 -0.086 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC001148896539 831476356 /nfs/dbraw/zinc/47/63/56/831476356.db2.gz UYZZMUIQTCECLX-SNVBAGLBSA-N -1 0 301.258 -0.724 20 0 DBADRM O=C(N[C@H]1COCC[C@@H]1O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148927318 831478961 /nfs/dbraw/zinc/47/89/61/831478961.db2.gz MJXOHLFOUFPWPX-ONGXEEELSA-N -1 0 317.319 -0.482 20 0 DBADRM O=C(NC[C@@H]1CCC(=O)N1)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148927743 831479121 /nfs/dbraw/zinc/47/91/21/831479121.db2.gz RTYSBJJINVPMNP-ZETCQYMHSA-N -1 0 314.319 -0.353 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC/C(Cl)=C/Cl ZINC001149160393 831501696 /nfs/dbraw/zinc/50/16/96/831501696.db2.gz ANZKTMNLKOVUIG-UTCJRWHESA-N -1 0 310.141 -0.286 20 0 DBADRM CN(C(=O)CCn1c2ccccc2c(=O)[nH]c1=O)c1nnn[n-]1 ZINC001149220173 831509357 /nfs/dbraw/zinc/50/93/57/831509357.db2.gz UEOMFGKSCOHMJS-UHFFFAOYSA-N -1 0 315.293 -0.332 20 0 DBADRM Cc1cc(C)n2nc(C(=O)N[C@@H]3SC(=O)[N-]C3=O)nc2n1 ZINC001150718778 831641327 /nfs/dbraw/zinc/64/13/27/831641327.db2.gz DAXFAMNDPNZLOO-SECBINFHSA-N -1 0 306.307 -0.220 20 0 DBADRM Cc1cc(C)n2nc(C(=O)NCC(=O)CCC(=O)[O-])nc2n1 ZINC001150720576 831641601 /nfs/dbraw/zinc/64/16/01/831641601.db2.gz UAVWIAFPPUGSQJ-UHFFFAOYSA-N -1 0 305.294 -0.095 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cnc3[nH]ccc3c2)C(=O)N1S(=O)(=O)[O-] ZINC001151018498 831658821 /nfs/dbraw/zinc/65/88/21/831658821.db2.gz YBLASBPMGCBYPJ-RCOVLWMOSA-N -1 0 324.318 -0.354 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)[N-]N1CC(=O)N(C)C1=O ZINC001151237927 831673167 /nfs/dbraw/zinc/67/31/67/831673167.db2.gz XCXMVQHRVUQLLW-UHFFFAOYSA-N -1 0 315.293 -0.490 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1ccc(=O)[nH]n1 ZINC001151706901 831700718 /nfs/dbraw/zinc/70/07/18/831700718.db2.gz QSTQUEXUMUDBAB-MRVPVSSYSA-N -1 0 321.341 -0.354 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@@H](C)NC(C)=O ZINC001151713792 831701988 /nfs/dbraw/zinc/70/19/88/831701988.db2.gz NTBWYDNHDSQTTR-RKDXNWHRSA-N -1 0 312.374 -0.639 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccc2nccn2n1 ZINC001151725120 831703467 /nfs/dbraw/zinc/70/34/67/831703467.db2.gz BFHBXTAYWAXEPF-VIFPVBQESA-N -1 0 306.278 -0.135 20 0 DBADRM COCCOCCc1ncc(C(=O)NCc2nc(=O)o[n-]2)[nH]1 ZINC001151978206 831718862 /nfs/dbraw/zinc/71/88/62/831718862.db2.gz RZWZBYLAKOCGSC-UHFFFAOYSA-N -1 0 311.298 -0.779 20 0 DBADRM CCOCCO[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001152012981 831719260 /nfs/dbraw/zinc/71/92/60/831719260.db2.gz JPZIONNPHOMLCX-VIFPVBQESA-N -1 0 300.315 -0.657 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1cnn(C)c1N ZINC001152948215 831783537 /nfs/dbraw/zinc/78/35/37/831783537.db2.gz JCTIIIUSYLWBAJ-MRVPVSSYSA-N -1 0 322.373 -0.534 20 0 DBADRM O=C(c1cnc2[nH]c(=O)[nH]c2c1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001153002040 831785175 /nfs/dbraw/zinc/78/51/75/831785175.db2.gz QAVNDRSROFRKJE-ZCFIWIBFSA-N -1 0 300.282 -0.194 20 0 DBADRM CN1CCO[C@H](CNC(=O)c2c[n-]c3cccnc3c2=O)C1 ZINC001153860076 831840896 /nfs/dbraw/zinc/84/08/96/831840896.db2.gz JKQODYAXKPPJDQ-SNVBAGLBSA-N -1 0 302.334 -0.017 20 0 DBADRM O=C(c1c[n-]c2cccnc2c1=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001153859202 831840919 /nfs/dbraw/zinc/84/09/19/831840919.db2.gz YKNLUBJUIIWWGF-BXKDBHETSA-N -1 0 303.318 -0.262 20 0 DBADRM COC(=O)c1cccc2[nH]nc(C(=O)N=c3nn[n-]n3C)c21 ZINC001154602464 831890497 /nfs/dbraw/zinc/89/04/97/831890497.db2.gz GSFGXOQHQCKBCF-UHFFFAOYSA-N -1 0 301.266 -0.453 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)c1n[nH]c(=O)c2ncccc12 ZINC001154623058 831892163 /nfs/dbraw/zinc/89/21/63/831892163.db2.gz JKIYTGODKKIFIK-JTQLQIEISA-N -1 0 305.275 -0.231 20 0 DBADRM Cn1cc(C(=O)N[C@H]2SC(=O)[N-]C2=O)c(=O)c2cccn21 ZINC001154653659 831893829 /nfs/dbraw/zinc/89/38/29/831893829.db2.gz CVSCBPPFYRVMMT-NSHDSACASA-N -1 0 306.303 -0.323 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)NCCc1n[n-]c(=S)o1)CC2 ZINC001154906914 831906326 /nfs/dbraw/zinc/90/63/26/831906326.db2.gz IHAQJQZVMRFALD-SSDOTTSWSA-N -1 0 308.367 -0.049 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@]1(C)CCNC1=O ZINC001155211610 831921793 /nfs/dbraw/zinc/92/17/93/831921793.db2.gz WGSUWWVRJCOJHT-YMTOWFKASA-N -1 0 324.385 -0.637 20 0 DBADRM CN1CCO[C@@H](C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC001155755648 831950769 /nfs/dbraw/zinc/95/07/69/831950769.db2.gz RYRVIKJTRRQNJP-DTWKUNHWSA-N -1 0 309.326 -0.927 20 0 DBADRM CCN(CCF)[C@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001155872034 831957721 /nfs/dbraw/zinc/95/77/21/831957721.db2.gz JBGNPKITVPUCDK-SNVBAGLBSA-N -1 0 324.360 -0.133 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)NCCc2nc(=O)o[n-]2)C1=O ZINC001156140224 831970600 /nfs/dbraw/zinc/97/06/00/831970600.db2.gz IUCLTUOBBDEKNU-UHFFFAOYSA-N -1 0 308.294 -0.883 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NC[C@@H]2CCC(=O)N2)nc1 ZINC001156153460 831972814 /nfs/dbraw/zinc/97/28/14/831972814.db2.gz IXINQRLHQBQNRZ-VIFPVBQESA-N -1 0 312.351 -0.403 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)Cc1nc[nH]n1 ZINC001156292266 831977941 /nfs/dbraw/zinc/97/79/41/831977941.db2.gz FEMKNTPRNHPNLB-MRVPVSSYSA-N -1 0 308.346 -0.802 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1nnc2c(C)nccn12 ZINC001156418573 831983037 /nfs/dbraw/zinc/98/30/37/831983037.db2.gz HTQWDQFTHFPEGU-QMMMGPOBSA-N -1 0 321.293 -0.431 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NCC(C)(C)C(N)=O)nc1 ZINC001156743132 831996883 /nfs/dbraw/zinc/99/68/83/831996883.db2.gz LGOCLTINLZVMRA-UHFFFAOYSA-N -1 0 314.367 -0.170 20 0 DBADRM COC(=O)c1nccnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001157067681 832018512 /nfs/dbraw/zinc/01/85/12/832018512.db2.gz MWFKXTHXHYNJPG-WDSKDSINSA-N -1 0 316.295 -0.923 20 0 DBADRM COc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc(OC)n1 ZINC001157067584 832018596 /nfs/dbraw/zinc/01/85/96/832018596.db2.gz IMJBHQLZBQTSNY-XNCJUZBTSA-N -1 0 318.311 -0.692 20 0 DBADRM Cc1nc2nc(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)ncc2[nH]1 ZINC001157070608 832019235 /nfs/dbraw/zinc/01/92/35/832019235.db2.gz HKWZNQBISPKPDJ-FFWSUHOLSA-N -1 0 312.311 -0.573 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)CCCC(N)=O ZINC001157274131 832029225 /nfs/dbraw/zinc/02/92/25/832029225.db2.gz NKHGUJVZWWWBST-SECBINFHSA-N -1 0 312.374 -0.508 20 0 DBADRM COCCOCCc1ncc(C(=O)NCC(=O)[N-]OC)[nH]1 ZINC001157835130 832064967 /nfs/dbraw/zinc/06/49/67/832064967.db2.gz GPWIQPDMTVHTMZ-UHFFFAOYSA-N -1 0 300.315 -0.977 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC001157837527 832065858 /nfs/dbraw/zinc/06/58/58/832065858.db2.gz YYBQLWGZLOUFIZ-QMMMGPOBSA-N -1 0 301.299 -0.733 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC001157837267 832065914 /nfs/dbraw/zinc/06/59/14/832065914.db2.gz XFMZTECOBRKBKM-AWEZNQCLSA-N -1 0 320.305 -0.851 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C ZINC001157837440 832065986 /nfs/dbraw/zinc/06/59/86/832065986.db2.gz YHAHERXDPYMLIJ-JTQLQIEISA-N -1 0 302.375 -0.098 20 0 DBADRM C[C@@H]1CC[C@@H](CO)CN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185652665 833803723 /nfs/dbraw/zinc/80/37/23/833803723.db2.gz ABMOSOCWURSIDS-RKDXNWHRSA-N -1 0 322.302 -0.845 20 0 DBADRM Cc1cc(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])no1 ZINC001185653558 833803991 /nfs/dbraw/zinc/80/39/91/833803991.db2.gz HCQMPAHCMIUPRK-UHFFFAOYSA-N -1 0 305.231 -0.852 20 0 DBADRM CN(CC(=O)N1CCCC(=O)[C@@H](F)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185652735 833804187 /nfs/dbraw/zinc/80/41/87/833804187.db2.gz BNZIKLPCZGINCX-ZETCQYMHSA-N -1 0 324.249 -0.935 20 0 DBADRM COCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C(C)C ZINC001185656925 833804703 /nfs/dbraw/zinc/80/47/03/833804703.db2.gz KNHRXWOBPWRTBZ-UHFFFAOYSA-N -1 0 310.291 -0.581 20 0 DBADRM CO[C@H](C)C1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185661329 833805042 /nfs/dbraw/zinc/80/50/42/833805042.db2.gz INBKRFIHMONRES-SSDOTTSWSA-N -1 0 308.275 -0.971 20 0 DBADRM CN(CC(=O)N[C@H]1CC12CCOCC2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663789 833805912 /nfs/dbraw/zinc/80/59/12/833805912.db2.gz NTZYKJRZSVUIPP-QMMMGPOBSA-N -1 0 320.286 -0.779 20 0 DBADRM CC(=O)NC[C@H](C(=O)NCS(=O)(=O)[O-])c1ccccc1 ZINC001185962268 833819475 /nfs/dbraw/zinc/81/94/75/833819475.db2.gz FCFFXZIOSGBALR-NSHDSACASA-N -1 0 300.336 -0.132 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2COCC[C@@H]2O)ccc1F ZINC001186201710 833838058 /nfs/dbraw/zinc/83/80/58/833838058.db2.gz JEXSIVVFXOYQLV-QWRGUYRKSA-N -1 0 319.310 -0.048 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2ccc(O)c(F)c2)C(=O)N1S(=O)(=O)[O-] ZINC001186237072 833840150 /nfs/dbraw/zinc/84/01/50/833840150.db2.gz ORSUTHBGBKZMPD-CDUCUWFYSA-N -1 0 318.282 -0.337 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC2(C1)CN(C1CCCC1)C(=O)CO2 ZINC001269576641 832450963 /nfs/dbraw/zinc/45/09/63/832450963.db2.gz RDIIVNODVOIFEX-UHFFFAOYSA-N -1 0 320.353 -0.875 20 0 DBADRM CC[C@H](C)N1C[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269576436 832451050 /nfs/dbraw/zinc/45/10/50/832451050.db2.gz MAIXUYGNDQANAG-HZMBPMFUSA-N -1 0 322.369 -0.629 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@@H]2[C@H]1CCC(=O)N2CC(F)F ZINC001269577965 832451892 /nfs/dbraw/zinc/45/18/92/832451892.db2.gz QKUQVAZOJPHKNH-HTQZYQBOSA-N -1 0 314.296 -0.401 20 0 DBADRM CN(C(=O)CCOCC(F)F)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001269792568 832471094 /nfs/dbraw/zinc/47/10/94/832471094.db2.gz FUDMXAAMVBORFH-UHFFFAOYSA-N -1 0 319.312 -0.175 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCC2(CN(Cc3cn[nH]c3)C2)CC1 ZINC001270182549 832508855 /nfs/dbraw/zinc/50/88/55/832508855.db2.gz IZBIZSKAJBDKQS-UHFFFAOYSA-N -1 0 316.369 -0.410 20 0 DBADRM CCn1ccnc1CN1CCC12CN(C(=O)Cc1nnn[n-]1)C2 ZINC001270182455 832509178 /nfs/dbraw/zinc/50/91/78/832509178.db2.gz DWNSPUNFGYUBSE-UHFFFAOYSA-N -1 0 316.369 -0.555 20 0 DBADRM Cc1ncsc1CN1CCC12CN(C(=O)Cc1nnn[n-]1)C2 ZINC001270183391 832510607 /nfs/dbraw/zinc/51/06/07/832510607.db2.gz VEVOJDQAGKHSSP-UHFFFAOYSA-N -1 0 319.394 -0.006 20 0 DBADRM O=C(Cc1nnn[n-]1)NC12CC(C(=O)N3CCCC34CC4)(C1)C2 ZINC001270788941 832578356 /nfs/dbraw/zinc/57/83/56/832578356.db2.gz JUQZYBKATASLDX-UHFFFAOYSA-N -1 0 316.365 -0.064 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CC[C@H]2C[C@]21C(=O)Nc1cn[nH]c1 ZINC001270784734 832578437 /nfs/dbraw/zinc/57/84/37/832578437.db2.gz NNCRHAKJQSAKKP-JVXZTZIISA-N -1 0 302.298 -0.905 20 0 DBADRM CCN(C(=O)[C@@H]1CC12CN(C(=O)Cc1nnn[n-]1)C2)C(C)C ZINC001270789702 832578807 /nfs/dbraw/zinc/57/88/07/832578807.db2.gz VDRMPXUPDWHFKJ-JTQLQIEISA-N -1 0 306.370 -0.152 20 0 DBADRM CC(C)(C)NC(=O)[C@H]1CC12CN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270938737 832598475 /nfs/dbraw/zinc/59/84/75/832598475.db2.gz JLYICCZAMBKQHC-MRVPVSSYSA-N -1 0 324.410 -0.275 20 0 DBADRM CC(C)(C)NC(=O)[C@@]12C[C@@H]1CN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270939409 832598570 /nfs/dbraw/zinc/59/85/70/832598570.db2.gz VFUHITAIVWSQJM-AMIZOPFISA-N -1 0 324.410 -0.275 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1C[C@H]2C[C@@]2(C(=O)N2CC=CC2)C1 ZINC001270939579 832598725 /nfs/dbraw/zinc/59/87/25/832598725.db2.gz YEUFGSNVOXGNAN-NOZJJQNGSA-N -1 0 320.378 -0.791 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@@H]2C[C@@]21C(=O)N1CC=CC1 ZINC001270939235 832598739 /nfs/dbraw/zinc/59/87/39/832598739.db2.gz SMCTZMPYVLXUFU-RNCFNFMXSA-N -1 0 320.378 -0.649 20 0 DBADRM C[C@]1(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)CC=CCC1 ZINC001271288957 832652317 /nfs/dbraw/zinc/65/23/17/832652317.db2.gz CGFHHYUVDJSBKA-AWEZNQCLSA-N -1 0 321.381 -0.080 20 0 DBADRM Cn1c(=O)cc([N-]S(=O)(=O)c2nccs2)n(C)c1=O ZINC001187910717 833958454 /nfs/dbraw/zinc/95/84/54/833958454.db2.gz HGNKFOPGYIOJNV-UHFFFAOYSA-N -1 0 302.337 -0.659 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1nsnc1C(=O)OC ZINC001188355679 833979012 /nfs/dbraw/zinc/97/90/12/833979012.db2.gz SWVMQOAKFCLWLK-UHFFFAOYSA-N -1 0 309.325 -0.371 20 0 DBADRM COCCCN1CC2(CN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O ZINC001272285152 832767676 /nfs/dbraw/zinc/76/76/76/832767676.db2.gz BEGNIDYTXOZFBN-UHFFFAOYSA-N -1 0 324.337 -0.795 20 0 DBADRM CCCCN1CC2(CN(C(=O)c3cc(=O)n(C)[n-]3)C2)OCC1=O ZINC001272354381 832775376 /nfs/dbraw/zinc/77/53/76/832775376.db2.gz JFIFCUFEXYXGLH-UHFFFAOYSA-N -1 0 322.365 -0.021 20 0 DBADRM CC(C)CN1C(=O)COCC12CN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001272355577 832775659 /nfs/dbraw/zinc/77/56/59/832775659.db2.gz JOFYDSMQTADRGF-UHFFFAOYSA-N -1 0 322.365 -0.165 20 0 DBADRM CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N2C(=O)c1ccncc1[O-] ZINC001272764848 832831466 /nfs/dbraw/zinc/83/14/66/832831466.db2.gz BZWJYAONJRYZBB-PHIMTYICSA-N -1 0 304.350 -0.226 20 0 DBADRM CN(C)C(=O)CN1CC2(C1)CN(C(=O)c1ccncc1[O-])C2 ZINC001272764871 832831575 /nfs/dbraw/zinc/83/15/75/832831575.db2.gz CIULZCRURQHLLJ-UHFFFAOYSA-N -1 0 304.350 -0.367 20 0 DBADRM CNC(=O)CN1CC=C(CCNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001159811521 832849344 /nfs/dbraw/zinc/84/93/44/832849344.db2.gz LNQWQIYDVRVCSH-UHFFFAOYSA-N -1 0 321.381 -0.078 20 0 DBADRM CC[C@H](C)C(=O)N1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001273454615 832926922 /nfs/dbraw/zinc/92/69/22/832926922.db2.gz VTWISFWYHPHIBE-ZETCQYMHSA-N -1 0 318.341 -0.504 20 0 DBADRM COC(=O)c1ccc(CC(=O)NCCCc2n[nH]c(=O)[n-]2)cn1 ZINC001160879467 832956192 /nfs/dbraw/zinc/95/61/92/832956192.db2.gz NWISFZUHDBJQFJ-UHFFFAOYSA-N -1 0 319.321 -0.017 20 0 DBADRM COc1cc(NCC(=O)CCC(=O)[O-])nc(S(C)(=O)=O)n1 ZINC001160874600 832956491 /nfs/dbraw/zinc/95/64/91/832956491.db2.gz RCVGELHKZUUKQT-UHFFFAOYSA-N -1 0 317.323 -0.266 20 0 DBADRM NC(=O)c1ncc(NC(=O)c2c[n-]n3c2nccc3=O)s1 ZINC001177499156 833471948 /nfs/dbraw/zinc/47/19/48/833471948.db2.gz MYZCWMWLFRAYGJ-UHFFFAOYSA-N -1 0 304.291 -0.170 20 0 DBADRM COC[C@@H](C)Oc1cc(NC(=O)Cn2nn[n-]c2=S)[nH]n1 ZINC001177736406 833480587 /nfs/dbraw/zinc/48/05/87/833480587.db2.gz NJPBWBAIGOABSL-ZCFIWIBFSA-N -1 0 313.343 -0.263 20 0 DBADRM CN1C(=O)CC[C@@H]2CN(C(=O)Cn3nn[n-]c3=S)CC[C@H]21 ZINC001177739449 833481024 /nfs/dbraw/zinc/48/10/24/833481024.db2.gz OJLHKLWFRKXJEF-RKDXNWHRSA-N -1 0 310.383 -0.569 20 0 DBADRM Cc1ccnc(N2CCN(C(=O)Cn3nn[n-]c3=S)CC2)n1 ZINC001177739669 833481029 /nfs/dbraw/zinc/48/10/29/833481029.db2.gz QRXYMKXIWGBHKI-UHFFFAOYSA-N -1 0 320.382 -0.591 20 0 DBADRM CN1C(=O)CC[C@H]2CN(C(=O)Cn3nn[n-]c3=S)CC[C@@H]21 ZINC001177739446 833481100 /nfs/dbraw/zinc/48/11/00/833481100.db2.gz OJLHKLWFRKXJEF-IUCAKERBSA-N -1 0 310.383 -0.569 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1CCOC[C@H]1c1cccnc1 ZINC001177739923 833481114 /nfs/dbraw/zinc/48/11/14/833481114.db2.gz VLSDVEAJHUJJOY-JTQLQIEISA-N -1 0 306.351 -0.043 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001177740155 833481144 /nfs/dbraw/zinc/48/11/44/833481144.db2.gz YTPNSMWSGBFPRD-KNVOCYPGSA-N -1 0 305.310 -0.298 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NCCNC(=O)c1cccs1 ZINC001177746252 833481565 /nfs/dbraw/zinc/48/15/65/833481565.db2.gz XDRGUMGIKRFWSM-UHFFFAOYSA-N -1 0 312.380 -0.431 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1nn[n-]c1=S)C(=O)N(C)C ZINC001177744136 833481713 /nfs/dbraw/zinc/48/17/13/833481713.db2.gz VJDXCPCVNVPAMU-CBAPKCEASA-N -1 0 300.388 -0.419 20 0 DBADRM COC[C@@H](NC(=O)c1cn2nccc2nc1C)c1nnn[n-]1 ZINC001177829022 833483075 /nfs/dbraw/zinc/48/30/75/833483075.db2.gz UOBQEUMDLXKSQX-SECBINFHSA-N -1 0 302.298 -0.332 20 0 DBADRM Cn1cnc(CC(=O)NC(=N)SCCS(=O)(=O)[O-])c1 ZINC001177851555 833483927 /nfs/dbraw/zinc/48/39/27/833483927.db2.gz GHGCSUQDEYEETI-UHFFFAOYSA-N -1 0 306.369 -0.365 20 0 DBADRM Cc1cc(CC(=O)Nc2[nH]c(=O)nc3[nH]c(=O)[nH]c32)nn1C ZINC001177892487 833485542 /nfs/dbraw/zinc/48/55/42/833485542.db2.gz RSHHFYDSTHKPGU-UHFFFAOYSA-N -1 0 303.282 -0.061 20 0 DBADRM CN(C(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O)C1COC1 ZINC001178367314 833503170 /nfs/dbraw/zinc/50/31/70/833503170.db2.gz QIMKEBXPJJNPSA-UHFFFAOYSA-N -1 0 322.321 -0.716 20 0 DBADRM CO[C@@H](C)CNC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178371415 833503803 /nfs/dbraw/zinc/50/38/03/833503803.db2.gz AWZQRFLFOJRJCE-VIFPVBQESA-N -1 0 324.337 -0.422 20 0 DBADRM O=C([O-])CN1CCCn2nc(C(=O)N3C[C@@H]4C[C@@H]4C3)cc2C1=O ZINC001178368303 833503810 /nfs/dbraw/zinc/50/38/10/833503810.db2.gz RMPMBFADWRHFFJ-AOOOYVTPSA-N -1 0 318.333 -0.095 20 0 DBADRM CN1C[C@@H](C(=O)NC(=N)SCCS(=O)(=O)[O-])CC1=O ZINC001178526049 833511551 /nfs/dbraw/zinc/51/15/51/833511551.db2.gz IABHORJNTZYHEL-LURJTMIESA-N -1 0 309.369 -0.863 20 0 DBADRM COc1cccc(N2C[C@H](C(=O)N[C@@H]3CO[N-]C3=O)CC2=O)c1 ZINC001178633570 833518109 /nfs/dbraw/zinc/51/81/09/833518109.db2.gz ZAUDAPVHHNUIQC-BXKDBHETSA-N -1 0 319.317 -0.406 20 0 DBADRM COc1cccc(N2C[C@H](C(=O)NCc3nnn[n-]3)CC2=O)c1 ZINC001178633157 833518157 /nfs/dbraw/zinc/51/81/57/833518157.db2.gz ODHRYYJNKOVRFC-SECBINFHSA-N -1 0 316.321 -0.122 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001178997603 833532579 /nfs/dbraw/zinc/53/25/79/833532579.db2.gz ZBKMYLMXKCZJIG-CHWSQXEVSA-N -1 0 305.334 -0.566 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CC23CCOCC3)C(=O)N1S(=O)(=O)[O-] ZINC001179317494 833543114 /nfs/dbraw/zinc/54/31/14/833543114.db2.gz PIFJAXWILLKBHT-CIUDSAMLSA-N -1 0 318.351 -0.679 20 0 DBADRM CC(C)(C)OC(=O)N1CC2CC1(C(=O)N[C@@H]1CO[N-]C1=O)C2 ZINC001179350026 833544042 /nfs/dbraw/zinc/54/40/42/833544042.db2.gz CMKMKTNYMUABKV-ZYTOWTHASA-N -1 0 311.338 -0.068 20 0 DBADRM COC(=O)CNC(=O)C[N-]C(=O)C(F)(F)C(F)(F)Cl ZINC001179781754 833558712 /nfs/dbraw/zinc/55/87/12/833558712.db2.gz OPJGGPZPFMITHE-UHFFFAOYSA-N -1 0 308.615 -0.141 20 0 DBADRM Nc1n[nH]c(CC(=O)Nc2nc[n-]c(=O)c2Br)n1 ZINC001180241752 833574455 /nfs/dbraw/zinc/57/44/55/833574455.db2.gz HCVDEVPYAMSFLV-UHFFFAOYSA-N -1 0 314.103 -0.174 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@](C)(O)C(F)(F)F ZINC001180490458 833586451 /nfs/dbraw/zinc/58/64/51/833586451.db2.gz CZKMTNPQFCHNFY-SSDLBLMSSA-N -1 0 301.217 -0.178 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001180685548 833597279 /nfs/dbraw/zinc/59/72/79/833597279.db2.gz YAEBRTOYSMGFCC-MNOVXSKESA-N -1 0 314.338 -0.233 20 0 DBADRM COc1ccc(C(=O)NCC(=O)NCS(=O)(=O)[O-])cc1 ZINC001180808437 833604073 /nfs/dbraw/zinc/60/40/73/833604073.db2.gz PKKLLMQQYRHZAV-UHFFFAOYSA-N -1 0 302.308 -0.614 20 0 DBADRM COCCN1C[C@H](C(=O)NCC(=O)CCC(=O)[O-])CC1=O ZINC001180894838 833608931 /nfs/dbraw/zinc/60/89/31/833608931.db2.gz IXGWCXXALNZNBQ-SECBINFHSA-N -1 0 300.311 -0.969 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CCCC[C@H]2O)C(=O)N1S(=O)(=O)[O-] ZINC001181091492 833616426 /nfs/dbraw/zinc/61/64/26/833616426.db2.gz NGDSCBGJYKIRHW-KDXUFGMBSA-N -1 0 306.340 -0.944 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)[C@H]1CN(Cc2ccccc2)CC1=O ZINC001181563723 833635533 /nfs/dbraw/zinc/63/55/33/833635533.db2.gz CNCBXDJLUJFOPS-NWDGAFQWSA-N -1 0 303.318 -0.766 20 0 DBADRM CC1(C)OC[C@H](C(=O)NC(=N)SCCS(=O)(=O)[O-])O1 ZINC001181747236 833642922 /nfs/dbraw/zinc/64/29/22/833642922.db2.gz TVJWEPUDGPAXHC-ZCFIWIBFSA-N -1 0 312.369 -0.190 20 0 DBADRM COCC1(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)CCC1 ZINC001181952266 833649470 /nfs/dbraw/zinc/64/94/70/833649470.db2.gz JAROOOZNIBKZPW-YUMQZZPRSA-N -1 0 306.340 -0.679 20 0 DBADRM CC(=O)O[C@H]1CO[C@H](C(=O)Nc2onc(C)c2C(N)=O)S1 ZINC001182206532 833665225 /nfs/dbraw/zinc/66/52/25/833665225.db2.gz OUVYLDWSVSJTJK-KBUNVGBDSA-N -1 0 315.307 -0.001 20 0 DBADRM CC(=O)O[C@H]1CO[C@H](C(=O)NCC(=O)CCC(=O)[O-])S1 ZINC001182208983 833665718 /nfs/dbraw/zinc/66/57/18/833665718.db2.gz VRCIFMZPYBYQPS-KOLCDFICSA-N -1 0 305.308 -0.485 20 0 DBADRM NC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001182376660 833672039 /nfs/dbraw/zinc/67/20/39/833672039.db2.gz HRAMAAOJMKWEGF-HTQZYQBOSA-N -1 0 309.303 -0.821 20 0 DBADRM O=C(Cn1c(=O)cnc2ccccc21)N[C@H]1SC(=O)[N-]C1=O ZINC001182945285 833696363 /nfs/dbraw/zinc/69/63/63/833696363.db2.gz KCAARDQTBGMRFC-LBPRGKRZSA-N -1 0 318.314 -0.178 20 0 DBADRM CC1(C(=O)NCC(=O)CCC(=O)[O-])CCS(=O)(=O)CC1 ZINC001183664915 833728313 /nfs/dbraw/zinc/72/83/13/833728313.db2.gz VQMMCNVIDNOCQS-UHFFFAOYSA-N -1 0 305.352 -0.249 20 0 DBADRM CC[C@H]1CCN(CC(=O)N[C@@H](CCC(=O)[O-])C(=O)OC)C1=O ZINC001183674093 833728993 /nfs/dbraw/zinc/72/89/93/833728993.db2.gz MEIBWMHQRXYBMI-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@H]1[C@H](NC(=O)CC2(C)CCOCC2)C(=O)N1S(=O)(=O)[O-] ZINC001183844730 833738477 /nfs/dbraw/zinc/73/84/77/833738477.db2.gz KQSANOFFXSYVQY-WPRPVWTQSA-N -1 0 320.367 -0.289 20 0 DBADRM O=C([O-])COc1ccc(OCC(=O)NC[C@@H]2CCC(=O)N2)cc1 ZINC001183909907 833741142 /nfs/dbraw/zinc/74/11/42/833741142.db2.gz LFRMQUJGTNIORS-JTQLQIEISA-N -1 0 322.317 -0.076 20 0 DBADRM C=CC(=O)NCCNC(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183912689 833742148 /nfs/dbraw/zinc/74/21/48/833742148.db2.gz WJTGNQNEGLKBCG-UHFFFAOYSA-N -1 0 322.317 -0.053 20 0 DBADRM O=C(C[C@@H](O)C(F)(F)F)Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21 ZINC001184038167 833745219 /nfs/dbraw/zinc/74/52/19/833745219.db2.gz GOVBLRJDLGCMPZ-UWTATZPHSA-N -1 0 307.188 -0.033 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H]1COCCN1Cc1ccccc1 ZINC001184019380 833745304 /nfs/dbraw/zinc/74/53/04/833745304.db2.gz NYSNVPUNVIKFKJ-GFCCVEGCSA-N -1 0 302.338 -0.283 20 0 DBADRM CCOC(=O)[C@H](C)C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001184226934 833753019 /nfs/dbraw/zinc/75/30/19/833753019.db2.gz ABKDPTHJOFBONC-ZCFIWIBFSA-N -1 0 312.369 -0.142 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001184309508 833756409 /nfs/dbraw/zinc/75/64/09/833756409.db2.gz YBQGCMKSJDBSNS-VIFPVBQESA-N -1 0 323.330 -0.322 20 0 DBADRM Cc1cccc(N2CC[C@H](C(=O)N[C@@H]3CO[N-]C3=O)C2=O)c1 ZINC001184634027 833765968 /nfs/dbraw/zinc/76/59/68/833765968.db2.gz PHVZRNDTECUJKX-VXGBXAGGSA-N -1 0 303.318 -0.106 20 0 DBADRM Cc1cccc(N2CC[C@@H](C(=O)N[C@@H]3CO[N-]C3=O)C2=O)c1 ZINC001184634026 833766174 /nfs/dbraw/zinc/76/61/74/833766174.db2.gz PHVZRNDTECUJKX-NWDGAFQWSA-N -1 0 303.318 -0.106 20 0 DBADRM CSc1ncc([O-])c(C(=O)NCCS(=O)(=O)N(C)C)n1 ZINC001185188316 833782025 /nfs/dbraw/zinc/78/20/25/833782025.db2.gz WFVJKEJJQCPHOT-UHFFFAOYSA-N -1 0 320.396 -0.475 20 0 DBADRM CSc1ncc([O-])c(C(=O)N2CC(=O)N(C3CC3)C(=O)C2)n1 ZINC001185166295 833782508 /nfs/dbraw/zinc/78/25/08/833782508.db2.gz HGPMGCXLPCVCDK-UHFFFAOYSA-N -1 0 322.346 -0.123 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cnc(C3CC3)o2)C(=O)N1S(=O)(=O)[O-] ZINC001185223143 833783862 /nfs/dbraw/zinc/78/38/62/833783862.db2.gz KFFPXAOZGKJMKX-XNCJUZBTSA-N -1 0 315.307 -0.316 20 0 DBADRM COc1ccc(S(=O)(=O)NC2(CO)COC2)cc1C(=O)[O-] ZINC001185324430 833792154 /nfs/dbraw/zinc/79/21/54/833792154.db2.gz NMKNHWVHQPTUPP-UHFFFAOYSA-N -1 0 317.319 -0.567 20 0 DBADRM N[C@@H]1NCN(C(=O)C=C([O-])c2ccccc2Cl)[C@@H]2NCN[C@H]21 ZINC001185444130 833795250 /nfs/dbraw/zinc/79/52/50/833795250.db2.gz OTXYNSZJHAJDLK-MJBXVCDLSA-N -1 0 323.784 -0.568 20 0 DBADRM CC(C)(C)OC(=O)N1CC(=O)CC[C@H]1C(=O)NCc1nnn[n-]1 ZINC001185512872 833797437 /nfs/dbraw/zinc/79/74/37/833797437.db2.gz SEIIMLFSHLZQFI-VIFPVBQESA-N -1 0 324.341 -0.216 20 0 DBADRM NC(=O)COc1ccc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC001186072317 833829887 /nfs/dbraw/zinc/82/98/87/833829887.db2.gz YHAZWBFGSRKPIH-LLVKDONJSA-N -1 0 309.303 -0.410 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CNC(=O)O2)ccc1F ZINC001186217211 833839090 /nfs/dbraw/zinc/83/90/90/833839090.db2.gz LNWYPOYCGOQGQE-ZCFIWIBFSA-N -1 0 318.282 -0.089 20 0 DBADRM O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1cc(F)c(F)c([O-])c1F ZINC001186787789 833875683 /nfs/dbraw/zinc/87/56/83/833875683.db2.gz IHWAYPMWEKKZOD-OLXMZCTGSA-N -1 0 321.251 -0.358 20 0 DBADRM C[C@H]1C[C@H]1CN1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001277133547 833928072 /nfs/dbraw/zinc/92/80/72/833928072.db2.gz DBUGUYSPEFDKLP-YUMQZZPRSA-N -1 0 302.342 -0.421 20 0 DBADRM C[C@H]1C[C@@H]1CN1CCc2c([nH]nc2C(=O)N=c2nn[n-]n2C)C1 ZINC001277135272 833928282 /nfs/dbraw/zinc/92/82/82/833928282.db2.gz XVZAGLJFHHXMTG-DTWKUNHWSA-N -1 0 316.369 -0.379 20 0 DBADRM COCCOCN1CCC12CN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001277166929 833929870 /nfs/dbraw/zinc/92/98/70/833929870.db2.gz AWKDOJRYKYTBAS-UHFFFAOYSA-N -1 0 316.383 -0.521 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CC2(CCN2CCn2ccnc2)C1 ZINC001277167068 833930110 /nfs/dbraw/zinc/93/01/10/833930110.db2.gz GKGLBPZZZGMAMI-UHFFFAOYSA-N -1 0 322.394 -0.245 20 0 DBADRM CCNC(=O)CC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001187623038 833936435 /nfs/dbraw/zinc/93/64/35/833936435.db2.gz VTMRLWNCMBOFAR-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1cn(C)nc1C(=O)OC ZINC001188352926 833977499 /nfs/dbraw/zinc/97/74/99/833977499.db2.gz OYPZJTVMBIAOBU-UHFFFAOYSA-N -1 0 305.312 -0.489 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C[C@@H]1CCCO1)C2 ZINC001277970159 834014911 /nfs/dbraw/zinc/01/49/11/834014911.db2.gz IZWIDBXPXTZQLH-QMMMGPOBSA-N -1 0 318.341 -0.898 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001189086343 834044744 /nfs/dbraw/zinc/04/47/44/834044744.db2.gz QVDPSQMBXCQOND-SNVBAGLBSA-N -1 0 322.369 -0.931 20 0 DBADRM COC(=O)CCN(CC(OC)OC)S(=O)(=O)c1ncc[n-]1 ZINC001189095331 834046734 /nfs/dbraw/zinc/04/67/34/834046734.db2.gz BVBOHKCLQAPEPE-UHFFFAOYSA-N -1 0 321.355 -0.418 20 0 DBADRM Cc1nn2cccnc2c1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC001189088392 834047036 /nfs/dbraw/zinc/04/70/36/834047036.db2.gz PAIVJIGLKDZPDP-UHFFFAOYSA-N -1 0 324.322 -0.875 20 0 DBADRM CNC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(Cl)nc1F ZINC001189154731 834054774 /nfs/dbraw/zinc/05/47/74/834054774.db2.gz KVOKDECPOHHSHD-YFKPBYRVSA-N -1 0 311.722 -0.741 20 0 DBADRM CCOCCC(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001189300913 834062384 /nfs/dbraw/zinc/06/23/84/834062384.db2.gz OGLQJSYYLGUCHD-LLVKDONJSA-N -1 0 311.386 -0.432 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)c1cnc(N2CCOCC2)nc1 ZINC001189395241 834075182 /nfs/dbraw/zinc/07/51/82/834075182.db2.gz OLNYSSIWIAMUDI-JTQLQIEISA-N -1 0 323.334 -0.648 20 0 DBADRM COCCOCC(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001189471396 834083744 /nfs/dbraw/zinc/08/37/44/834083744.db2.gz KZMTVANLQXJGDQ-JTQLQIEISA-N -1 0 313.358 -0.794 20 0 DBADRM CS(=O)(=O)CCNC(=O)c1ccccc1S(=O)(=O)[O-] ZINC001189669018 834103332 /nfs/dbraw/zinc/10/33/32/834103332.db2.gz VCBGSXFAELFMKR-UHFFFAOYSA-N -1 0 307.349 -0.292 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)[O-])CCO1 ZINC001189690801 834104852 /nfs/dbraw/zinc/10/48/52/834104852.db2.gz XSRVYEBXISZHLM-SECBINFHSA-N -1 0 314.319 -0.740 20 0 DBADRM O=C(c1ccccc1S(=O)(=O)[O-])N1CC[C@H](CO)[C@@H](O)C1 ZINC001189678382 834105475 /nfs/dbraw/zinc/10/54/75/834105475.db2.gz AGKGBAUQEJAECN-KOLCDFICSA-N -1 0 315.347 -0.251 20 0 DBADRM CN1CCO[C@H](CNC(=O)c2ccccc2S(=O)(=O)[O-])C1 ZINC001189698006 834106331 /nfs/dbraw/zinc/10/63/31/834106331.db2.gz AWLHEEIINPVQHK-SNVBAGLBSA-N -1 0 314.363 -0.006 20 0 DBADRM O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1S(=O)(=O)[O-] ZINC001189698767 834106359 /nfs/dbraw/zinc/10/63/59/834106359.db2.gz KCUCGSBBACYKJC-MRVPVSSYSA-N -1 0 319.360 -0.150 20 0 DBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189700218 834106507 /nfs/dbraw/zinc/10/65/07/834106507.db2.gz MOWFHKKOTHSSBQ-SNVBAGLBSA-N -1 0 309.290 -0.082 20 0 DBADRM CNC(=O)CCCC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001189785736 834112307 /nfs/dbraw/zinc/11/23/07/834112307.db2.gz AKKPEMJXEMWMCT-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM [NH3+]CC1(NC(=O)c2ccccc2OP(=O)([O-])[O-])COC1 ZINC001189900089 834124675 /nfs/dbraw/zinc/12/46/75/834124675.db2.gz PMDPAFAIQAFBMY-UHFFFAOYSA-N -1 0 302.223 -0.384 20 0 DBADRM COc1nc(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)ccc1F ZINC001190112329 834138902 /nfs/dbraw/zinc/13/89/02/834138902.db2.gz RQHKFNXKWVASGE-MRVPVSSYSA-N -1 0 321.311 -0.183 20 0 DBADRM O=C1CC[C@H]([N-]S(=O)(=O)c2ncc(F)cc2F)C(=O)N1 ZINC001190192471 834145698 /nfs/dbraw/zinc/14/56/98/834145698.db2.gz PCZGRHUULCOVGE-ZETCQYMHSA-N -1 0 305.262 -0.557 20 0 DBADRM NC(=O)C1([N-]S(=O)(=O)c2ncc(F)cc2F)CCOCC1 ZINC001190207318 834147026 /nfs/dbraw/zinc/14/70/26/834147026.db2.gz JZLBMFJXMOUIQU-UHFFFAOYSA-N -1 0 321.305 -0.327 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001190309184 834152370 /nfs/dbraw/zinc/15/23/70/834152370.db2.gz VPWGTCAETOALFP-NXEZZACHSA-N -1 0 324.385 -0.542 20 0 DBADRM O=C1CO[C@H](C[N-]S(=O)(=O)c2cc(F)cc(F)c2F)CN1 ZINC001190400906 834155705 /nfs/dbraw/zinc/15/57/05/834155705.db2.gz ATYUGUYQBHMSCB-ZETCQYMHSA-N -1 0 324.280 -0.103 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1c[nH]c(=O)c(Br)c1 ZINC001190484353 834160738 /nfs/dbraw/zinc/16/07/38/834160738.db2.gz RWQLYCNPHYWTQB-ZCFIWIBFSA-N -1 0 302.084 -0.291 20 0 DBADRM COC[C@H]1CN(S(=O)(=O)c2ncc[n-]2)Cc2nnn(C)c21 ZINC001190699364 834181704 /nfs/dbraw/zinc/18/17/04/834181704.db2.gz WUYVFFJWIJFXDP-MRVPVSSYSA-N -1 0 312.355 -0.527 20 0 DBADRM CC(C)(O)CCN1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001190715085 834184407 /nfs/dbraw/zinc/18/44/07/834184407.db2.gz BLGJQVDLKDXQHF-UHFFFAOYSA-N -1 0 302.400 -0.123 20 0 DBADRM COC(=O)CN1CCC(NS(=O)(=O)c2ncc[n-]2)CC1 ZINC001190739551 834186400 /nfs/dbraw/zinc/18/64/00/834186400.db2.gz NPZPMPIRRSKSEV-UHFFFAOYSA-N -1 0 302.356 -0.675 20 0 DBADRM Cn1c(=O)ccc2c1CC[C@H](NS(=O)(=O)c1ncc[n-]1)C2 ZINC001190739523 834186501 /nfs/dbraw/zinc/18/65/01/834186501.db2.gz LTWCKZKWNLNILK-JTQLQIEISA-N -1 0 308.363 -0.056 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ncc[n-]1)C(=O)OC(C)(C)C ZINC001190748560 834187607 /nfs/dbraw/zinc/18/76/07/834187607.db2.gz CSHHVVJVOUHRAQ-SFYZADRCSA-N -1 0 305.356 -0.221 20 0 DBADRM CCOC(=O)C1=C(NS(=O)(=O)c2ncc[n-]2)[C@@H](C)OC1 ZINC001190744082 834187636 /nfs/dbraw/zinc/18/76/36/834187636.db2.gz BEEJCAXAYOGBCF-SSDOTTSWSA-N -1 0 301.324 -0.076 20 0 DBADRM CN(C)C(=O)N1CCC[C@H](NS(=O)(=O)c2ncc[n-]2)C1 ZINC001190754707 834187763 /nfs/dbraw/zinc/18/77/63/834187763.db2.gz DBUNPWYDLVTXBT-VIFPVBQESA-N -1 0 301.372 -0.166 20 0 DBADRM CN(C)C(=O)N1CCC[C@@H](NS(=O)(=O)c2ncc[n-]2)C1 ZINC001190754706 834187942 /nfs/dbraw/zinc/18/79/42/834187942.db2.gz DBUNPWYDLVTXBT-SECBINFHSA-N -1 0 301.372 -0.166 20 0 DBADRM CCC[C@H](NS(=O)(=O)c1ncc[n-]1)[C@@H](O)C(=O)NC1CC1 ZINC001190748752 834187948 /nfs/dbraw/zinc/18/79/48/834187948.db2.gz GBARAXPCPJCBFR-VHSXEESVSA-N -1 0 316.383 -0.504 20 0 DBADRM CN(CCF)[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001191050309 834216294 /nfs/dbraw/zinc/21/62/94/834216294.db2.gz GHYGHDNCICDAIZ-SNVBAGLBSA-N -1 0 315.349 -0.028 20 0 DBADRM CCSCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191339475 834244193 /nfs/dbraw/zinc/24/41/93/834244193.db2.gz WHYKQVOITXBZHQ-RKDXNWHRSA-N -1 0 315.399 -0.685 20 0 DBADRM Cc1[nH]c(=O)sc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001191413165 834250407 /nfs/dbraw/zinc/25/04/07/834250407.db2.gz JMQSSQCSQYMAAU-WHFBIAKZSA-N -1 0 321.336 -0.711 20 0 DBADRM CSc1ncc(C(=O)N[C@H]2SC(=O)[N-]C2=O)c(=O)[nH]1 ZINC001191437810 834253405 /nfs/dbraw/zinc/25/34/05/834253405.db2.gz RYXZVZJQGMNQRM-ZETCQYMHSA-N -1 0 300.321 -0.057 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)NCS(=O)(=O)[O-])cc1 ZINC001191464002 834255366 /nfs/dbraw/zinc/25/53/66/834255366.db2.gz HAHRGLJYSNLFMY-UHFFFAOYSA-N -1 0 323.348 -0.013 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)COCC(F)F)C1 ZINC001191515000 834259982 /nfs/dbraw/zinc/25/99/82/834259982.db2.gz JHDWBUDTMPTNQX-QMMMGPOBSA-N -1 0 319.312 -0.175 20 0 DBADRM Nc1c(=O)c(=O)c1NC(=O)c1nc(Br)ccc1[O-] ZINC001191734521 834283231 /nfs/dbraw/zinc/28/32/31/834283231.db2.gz WMSLGGQTUUJOSP-UHFFFAOYSA-N -1 0 312.079 -0.020 20 0 DBADRM NC(=O)[C@@H](CO)NC(=O)c1nc(Br)ccc1[O-] ZINC001191747968 834288226 /nfs/dbraw/zinc/28/82/26/834288226.db2.gz FNWJWDMYOCELFR-SCSAIBSYSA-N -1 0 304.100 -0.874 20 0 DBADRM COC(=O)[C@H](COC(C)(C)C)NC(=O)N=c1nn[n-]n1C ZINC001191860823 834298873 /nfs/dbraw/zinc/29/88/73/834298873.db2.gz YDAQLZKOZYOVDQ-ZETCQYMHSA-N -1 0 300.319 -0.890 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CC[NH3+])c([O-])c1 ZINC001237675749 834345743 /nfs/dbraw/zinc/34/57/43/834345743.db2.gz HPCWZJVOSRPLRN-UHFFFAOYSA-N -1 0 323.396 -0.657 20 0 DBADRM COC(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC001192390622 834370023 /nfs/dbraw/zinc/37/00/23/834370023.db2.gz WGRUULBSIKACMX-GWCFXTLKSA-N -1 0 309.318 -0.006 20 0 DBADRM O=C(C=Cc1ccc[nH]1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001192484691 834386306 /nfs/dbraw/zinc/38/63/06/834386306.db2.gz QTTVZURJHVXPKQ-YIZUVKHSSA-N -1 0 318.337 -0.787 20 0 DBADRM COc1cc(-c2cnn(CC(=O)[O-])c2)nc(S(C)(=O)=O)n1 ZINC001242182219 834402368 /nfs/dbraw/zinc/40/23/68/834402368.db2.gz UEKNLRMNACVYQY-UHFFFAOYSA-N -1 0 312.307 -0.163 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](F)C2)cc1 ZINC001192690016 834410105 /nfs/dbraw/zinc/41/01/05/834410105.db2.gz OOPDOKUKTWSYIG-WDEREUQCSA-N -1 0 319.310 -0.147 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)NC[C@@H](O)CF)cc1 ZINC001192756001 834417156 /nfs/dbraw/zinc/41/71/56/834417156.db2.gz HHTWTCFOZJWBOY-QMMMGPOBSA-N -1 0 307.299 -0.241 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246216314 834424800 /nfs/dbraw/zinc/42/48/00/834424800.db2.gz XQZKOXXPMKCGEM-UTLUCORTSA-N -1 0 302.327 -0.724 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]cc1NC(=O)OC(C)(C)C ZINC001192984152 834450009 /nfs/dbraw/zinc/45/00/09/834450009.db2.gz UKGIAKRSGLDHOY-UHFFFAOYSA-N -1 0 308.302 -0.046 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]C(C(=O)OC)=C(C)O ZINC001193078588 834460573 /nfs/dbraw/zinc/46/05/73/834460573.db2.gz RBNOZCLGYRSQIP-QMMMGPOBSA-N -1 0 309.340 -0.622 20 0 DBADRM C[S@@](=O)CCCCNC(=S)N[C@@H]1SC(=O)[N-]C1=O ZINC001246976544 834465585 /nfs/dbraw/zinc/46/55/85/834465585.db2.gz MFJVHYIZCZFAJJ-LWESTGQBSA-N -1 0 309.438 -0.082 20 0 DBADRM Cn1nncc1C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001193136164 834467012 /nfs/dbraw/zinc/46/70/12/834467012.db2.gz ZNUZPRDJGHFMMC-UHFFFAOYSA-N -1 0 307.291 -0.501 20 0 DBADRM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)C(F)F ZINC001248719307 834475686 /nfs/dbraw/zinc/47/56/86/834475686.db2.gz PRARXOUZBHAOHV-BQBZGAKWSA-N -1 0 324.305 -0.170 20 0 DBADRM Cc1c([N-]S(=O)(=O)C[C@H]2CCCO2)c(C(N)=O)nn1C ZINC001193207375 834475794 /nfs/dbraw/zinc/47/57/94/834475794.db2.gz KWHKDCPMMFBXQC-MRVPVSSYSA-N -1 0 302.356 -0.252 20 0 DBADRM CNC(=O)c1nccnc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001193214343 834475928 /nfs/dbraw/zinc/47/59/28/834475928.db2.gz YGZATBYNTGVSHO-QMMMGPOBSA-N -1 0 300.340 -0.243 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)CCCCC(N)=O)C1 ZINC001193389518 834491258 /nfs/dbraw/zinc/49/12/58/834491258.db2.gz DEBRXPJRLKQXSN-JTQLQIEISA-N -1 0 324.385 -0.411 20 0 DBADRM CCOC(=O)c1snc(C(N)=O)c1[N-]S(=O)(=O)N(C)C ZINC001251051413 834493559 /nfs/dbraw/zinc/49/35/59/834493559.db2.gz KIHJFZIAELQJAU-UHFFFAOYSA-N -1 0 322.368 -0.363 20 0 DBADRM COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)c1cc(=O)[nH][n-]1 ZINC001193467023 834498579 /nfs/dbraw/zinc/49/85/79/834498579.db2.gz JWNHZQKIQZGPQA-MUWHJKNJSA-N -1 0 315.307 -0.655 20 0 DBADRM COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)c1cc(=O)[nH][n-]1 ZINC001193467022 834499024 /nfs/dbraw/zinc/49/90/24/834499024.db2.gz JWNHZQKIQZGPQA-IMTBSYHQSA-N -1 0 315.307 -0.655 20 0 DBADRM CC(=O)NCc1ncn2c1CN(C(=O)c1cc(=O)[nH][n-]1)CCC2 ZINC001193467289 834499756 /nfs/dbraw/zinc/49/97/56/834499756.db2.gz ONECJIDYDDEBLF-UHFFFAOYSA-N -1 0 318.337 -0.006 20 0 DBADRM Cc1noc([C@]23COC[C@H]2CN(C(=O)c2cc(=O)[nH][n-]2)C3)n1 ZINC001193465045 834500052 /nfs/dbraw/zinc/50/00/52/834500052.db2.gz DFEYDXSKKLKAIH-AMIZOPFISA-N -1 0 305.294 -0.153 20 0 DBADRM CCc1c([N-]S(=O)(=O)c2nccn2C)c(C(N)=O)nn1C ZINC001193566971 834509908 /nfs/dbraw/zinc/50/99/08/834509908.db2.gz ZJLOLGSXBZLPOS-UHFFFAOYSA-N -1 0 312.355 -0.384 20 0 DBADRM C[C@H]1[C@H](NC[C@@H](O)c2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001252002341 834515460 /nfs/dbraw/zinc/51/54/60/834515460.db2.gz JIJBVLAHTWGFAY-GDPRMGEGSA-N -1 0 300.336 -0.288 20 0 DBADRM COCCOC[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001252264956 834526745 /nfs/dbraw/zinc/52/67/45/834526745.db2.gz YZGXHBFBJMZVKM-SECBINFHSA-N -1 0 309.326 -0.761 20 0 DBADRM CN1CCN(C(=O)CC[N-]S(=O)(=O)C(F)(F)F)CC1 ZINC001252378774 834528149 /nfs/dbraw/zinc/52/81/49/834528149.db2.gz UCDTUCCJSJAMQH-UHFFFAOYSA-N -1 0 303.306 -0.410 20 0 DBADRM O=C(NCC[N-]S(=O)(=O)C(F)(F)F)N1CCOCC1 ZINC001252372952 834528304 /nfs/dbraw/zinc/52/83/04/834528304.db2.gz ZUSYDQGGLGFUCY-UHFFFAOYSA-N -1 0 305.278 -0.533 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c2nonc21 ZINC001252733595 834551574 /nfs/dbraw/zinc/55/15/74/834551574.db2.gz SKEBWZQCOZGLKT-UHFFFAOYSA-N -1 0 320.352 -0.155 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccnc(OC)c1 ZINC001253161887 834562729 /nfs/dbraw/zinc/56/27/29/834562729.db2.gz AHABKWJKIXMLPA-UHFFFAOYSA-N -1 0 318.351 -0.187 20 0 DBADRM Cc1[nH]c(=O)ncc1C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001194182203 834574992 /nfs/dbraw/zinc/57/49/92/834574992.db2.gz ZVAFSXMFSYFNJB-UHFFFAOYSA-N -1 0 320.352 -0.224 20 0 DBADRM CC(=O)N1CCC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)[n-]1)CCO2 ZINC001194195027 834575894 /nfs/dbraw/zinc/57/58/94/834575894.db2.gz FNLPWWHIHBEZCB-HNNXBMFYSA-N -1 0 322.365 -0.021 20 0 DBADRM COc1ccc(C(=O)NCc2nnn[n-]2)cc1S(C)(=O)=O ZINC001194248069 834580090 /nfs/dbraw/zinc/58/00/90/834580090.db2.gz WDIQIHOOLDCXAC-UHFFFAOYSA-N -1 0 311.323 -0.458 20 0 DBADRM COCc1cn(CCOCCOCCOCC(=O)[O-])nn1 ZINC001254084065 834586525 /nfs/dbraw/zinc/58/65/25/834586525.db2.gz ZTJSZUFZSBEPLR-UHFFFAOYSA-N -1 0 303.315 -0.441 20 0 DBADRM COCCOCc1cn(CCOCCOCC(=O)[O-])nn1 ZINC001254090248 834586664 /nfs/dbraw/zinc/58/66/64/834586664.db2.gz GBMSUNBJIOCARR-UHFFFAOYSA-N -1 0 303.315 -0.441 20 0 DBADRM COC(=O)CCCc1cn(CCOCCOCC(=O)[O-])nn1 ZINC001254090306 834586716 /nfs/dbraw/zinc/58/67/16/834586716.db2.gz ILWPSNPDRNUFSW-UHFFFAOYSA-N -1 0 315.326 -0.108 20 0 DBADRM CCOC(=O)CCc1cn(CCOCCOCC(=O)[O-])nn1 ZINC001254090732 834586839 /nfs/dbraw/zinc/58/68/39/834586839.db2.gz VYFKOMPXKKWAHR-UHFFFAOYSA-N -1 0 315.326 -0.108 20 0 DBADRM CC(=O)c1cn(CCOCCOCCOCC(=O)[O-])nn1 ZINC001254083625 834586976 /nfs/dbraw/zinc/58/69/76/834586976.db2.gz LDEFXKRHUNGSME-UHFFFAOYSA-N -1 0 301.299 -0.385 20 0 DBADRM CC(C)(CC(=O)[O-])n1cc(CN2CCS(=O)(=O)CC2)nn1 ZINC001254093517 834587075 /nfs/dbraw/zinc/58/70/75/834587075.db2.gz BZXIIDNSOWIIIU-UHFFFAOYSA-N -1 0 316.383 -0.282 20 0 DBADRM COC(=O)c1cc(C(=O)n2[n-]c3ccnc(=O)c-3c2N)[nH]n1 ZINC001194298984 834587852 /nfs/dbraw/zinc/58/78/52/834587852.db2.gz RWXXXHLJFNTRLX-UHFFFAOYSA-N -1 0 302.250 -0.543 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)nc1C ZINC001254981730 834603743 /nfs/dbraw/zinc/60/37/43/834603743.db2.gz RAYOQYYHLUHCBM-UHFFFAOYSA-N -1 0 301.328 -0.701 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N[C@H]2SC(=O)[N-]C2=O)ccn1 ZINC001194693132 834620679 /nfs/dbraw/zinc/62/06/79/834620679.db2.gz CBFUCCZJXDVAEN-VIFPVBQESA-N -1 0 315.332 -0.476 20 0 DBADRM C[C@@H](CC(F)F)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001194789913 834633672 /nfs/dbraw/zinc/63/36/72/834633672.db2.gz SMQMCMVDAFJHCH-XLPZGREQSA-N -1 0 319.312 -0.537 20 0 DBADRM C[C@H](CNC(=O)C(=O)[N-]OC1CCOCC1)Cn1cccn1 ZINC001257242405 834648587 /nfs/dbraw/zinc/64/85/87/834648587.db2.gz UYFJGCVBFFZBJY-LLVKDONJSA-N -1 0 310.354 -0.138 20 0 DBADRM COC(=O)CCS(=O)(=O)CC[C@@H](C)NCS(=O)(=O)[O-] ZINC001257919584 834666340 /nfs/dbraw/zinc/66/63/40/834666340.db2.gz OJZFEYQLSNHBGG-MRVPVSSYSA-N -1 0 317.385 -0.822 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H](O)CO)c(F)cc1F ZINC001195248299 834666906 /nfs/dbraw/zinc/66/69/06/834666906.db2.gz DPVROEPSLUMDEF-RXMQYKEDSA-N -1 0 311.262 -0.706 20 0 DBADRM Cc1ccc(O)c(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001195329480 834675571 /nfs/dbraw/zinc/67/55/71/834675571.db2.gz DTRRJUVVYWQDOP-XPUUQOCRSA-N -1 0 315.307 -0.772 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)[N-]OCc2ccccc2)CCC1=O ZINC001258409219 834682727 /nfs/dbraw/zinc/68/27/27/834682727.db2.gz YAQPQLLZWGVHCO-GFCCVEGCSA-N -1 0 305.334 -0.029 20 0 DBADRM C=C/C(C)=C/CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001195433359 834685834 /nfs/dbraw/zinc/68/58/34/834685834.db2.gz GAQZRJFIMJJQSN-MJMLHWTPSA-N -1 0 307.354 -0.306 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)noc1C ZINC001258731510 834687085 /nfs/dbraw/zinc/68/70/85/834687085.db2.gz HQVWKUUFXJCADW-QMMMGPOBSA-N -1 0 320.323 -0.024 20 0 DBADRM CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)CC(=O)OC ZINC001259018195 834692364 /nfs/dbraw/zinc/69/23/64/834692364.db2.gz YXFQHRFSYWJHGE-UHFFFAOYSA-N -1 0 305.312 -0.489 20 0 DBADRM CCOC(=O)Cc1ncc([N-]S(=O)(=O)CC(=O)OC)cn1 ZINC001259018810 834693452 /nfs/dbraw/zinc/69/34/52/834693452.db2.gz VOSZLOHKWROLTM-UHFFFAOYSA-N -1 0 317.323 -0.503 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cncc(N2CCOCC2)c1 ZINC001259018910 834693662 /nfs/dbraw/zinc/69/36/62/834693662.db2.gz YWXLKWGQEZLMFC-UHFFFAOYSA-N -1 0 315.351 -0.167 20 0 DBADRM Cn1cc(C(=O)Nc2ccc3[nH]nc([O-])c3c2)c(=O)n(C)c1=O ZINC001195542080 834697023 /nfs/dbraw/zinc/69/70/23/834697023.db2.gz IVLKHWWOMUMGPK-UHFFFAOYSA-N -1 0 315.289 -0.082 20 0 DBADRM CCOC(=O)[C@H]([N-]S(=O)(=O)CC(=O)OC)c1cnccn1 ZINC001259032721 834698879 /nfs/dbraw/zinc/69/88/79/834698879.db2.gz LEEMQXJTGSEBSU-SNVBAGLBSA-N -1 0 317.323 -0.827 20 0 DBADRM CCOC(=O)CNC(=S)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001195570059 834701394 /nfs/dbraw/zinc/70/13/94/834701394.db2.gz DRKNCFVMTGSOHD-ZETCQYMHSA-N -1 0 306.340 -0.580 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc(C(C)=O)c(F)c1 ZINC001195565859 834701740 /nfs/dbraw/zinc/70/17/40/834701740.db2.gz MWDWVBLSEZBLMS-UHFFFAOYSA-N -1 0 304.299 -0.016 20 0 DBADRM O=C1[N-]OC[C@H]1NS(=O)(=O)c1ccc(OC(F)F)cc1 ZINC001259433686 834704404 /nfs/dbraw/zinc/70/44/04/834704404.db2.gz XMKJULPQWXXJRQ-MRVPVSSYSA-N -1 0 308.262 -0.004 20 0 DBADRM NC(=O)C(NS(=O)(=O)c1cc(Cl)ccc1F)C(N)=O ZINC001259459923 834704419 /nfs/dbraw/zinc/70/44/19/834704419.db2.gz IMVZWLODZQOUDT-UHFFFAOYSA-N -1 0 309.706 -0.903 20 0 DBADRM O=c1[nH]c2ccc(S(=O)(=O)NCS(=O)(=O)[O-])cc2o1 ZINC001259386649 834704433 /nfs/dbraw/zinc/70/44/33/834704433.db2.gz AMNNGORWVWUEFS-UHFFFAOYSA-N -1 0 308.293 -0.343 20 0 DBADRM CNC(=O)CCCC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001195588402 834704538 /nfs/dbraw/zinc/70/45/38/834704538.db2.gz GLUKWULVHYLSQO-UHFFFAOYSA-N -1 0 324.385 -0.539 20 0 DBADRM C[C@H]1[C@H](NS(=O)(=O)C2CCCC2)C(=O)N1S(=O)(=O)[O-] ZINC001259803695 834707026 /nfs/dbraw/zinc/70/70/26/834707026.db2.gz BOQWDRWWURKCDP-XPUUQOCRSA-N -1 0 312.369 -0.750 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]c2nccnc2C(=O)NC)cn1 ZINC001259833663 834710165 /nfs/dbraw/zinc/71/01/65/834710165.db2.gz ZGPSHUVDZAJGEA-UHFFFAOYSA-N -1 0 310.339 -0.147 20 0 DBADRM COCCS(=O)(=O)N[C@@H]1Oc2ccc(CCO)cc2O1 ZINC001259977068 834720106 /nfs/dbraw/zinc/72/01/06/834720106.db2.gz YAWGOXRXNMRPEM-GFCCVEGCSA-N -1 0 303.336 -0.158 20 0 DBADRM COCCS(=O)(=O)N[C@@H](CC(=O)OC(C)(C)C)C(N)=O ZINC001259976159 834720473 /nfs/dbraw/zinc/72/04/73/834720473.db2.gz DVOJOIHDOITBAO-QMMMGPOBSA-N -1 0 310.372 -0.862 20 0 DBADRM COCCS(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(O)O ZINC001259974795 834720429 /nfs/dbraw/zinc/72/04/29/834720429.db2.gz LZABAIDDFMIMOA-NSHDSACASA-N -1 0 305.352 -0.820 20 0 DBADRM COCCS(=O)(=O)N[C@@H](CC(N)=O)C(=O)OC(C)(C)C ZINC001259973845 834720496 /nfs/dbraw/zinc/72/04/96/834720496.db2.gz SJRCCFNJDKTYDH-QMMMGPOBSA-N -1 0 310.372 -0.862 20 0 DBADRM COCCS(=O)(=O)N[C@@H](Cc1cncn1C)C(=O)OC ZINC001259974884 834720684 /nfs/dbraw/zinc/72/06/84/834720684.db2.gz SHNSIIKFXWWBRX-JTQLQIEISA-N -1 0 305.356 -0.930 20 0 DBADRM COCCS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)OC(C)(C)C ZINC001259975310 834720769 /nfs/dbraw/zinc/72/07/69/834720769.db2.gz KVMVKAKPXSOIRA-VIFPVBQESA-N -1 0 324.399 -0.472 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cnc(C(N)=O)cn1 ZINC001260105758 834726000 /nfs/dbraw/zinc/72/60/00/834726000.db2.gz TVLOTYCTIGESOJ-UHFFFAOYSA-N -1 0 310.339 -0.273 20 0 DBADRM Cn1nnnc1[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260165992 834727718 /nfs/dbraw/zinc/72/77/18/834727718.db2.gz MOXRCPHXBICGCA-UHFFFAOYSA-N -1 0 315.706 -0.898 20 0 DBADRM CC(=O)NCC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260166979 834729383 /nfs/dbraw/zinc/72/93/83/834729383.db2.gz OIVUSHLHMWRYSB-UHFFFAOYSA-N -1 0 318.746 -0.808 20 0 DBADRM O=S(=O)([N-]C1CC(CO)C1)c1nc2nc(Cl)ccn2n1 ZINC001260178589 834730498 /nfs/dbraw/zinc/73/04/98/834730498.db2.gz IRWNHLJDASQYBE-UHFFFAOYSA-N -1 0 317.758 -0.173 20 0 DBADRM O=C1CC([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)C1 ZINC001260178945 834730657 /nfs/dbraw/zinc/73/06/57/834730657.db2.gz VMNYGRYTWPLGBT-UHFFFAOYSA-N -1 0 301.715 -0.213 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N[C@H]2[C@H](O)CCC[C@@H]2O)c1 ZINC001260194342 834731460 /nfs/dbraw/zinc/73/14/60/834731460.db2.gz ICUNYSXELHCBCX-GDNZZTSVSA-N -1 0 315.347 -0.063 20 0 DBADRM CCOC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260229378 834731631 /nfs/dbraw/zinc/73/16/31/834731631.db2.gz HUOJBROSXXQCOH-JTQLQIEISA-N -1 0 317.319 -0.413 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC(=O)NC2=O)c1 ZINC001260193891 834731683 /nfs/dbraw/zinc/73/16/83/834731683.db2.gz ZQRFAYBCNJKZDO-QMMMGPOBSA-N -1 0 312.303 -0.674 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001195926514 834735350 /nfs/dbraw/zinc/73/53/50/834735350.db2.gz PXMNVFOQOCEZKS-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cnc(C(=O)OC)nc1 ZINC001195938777 834737216 /nfs/dbraw/zinc/73/72/16/834737216.db2.gz BIVGDVWOKNIJNA-UHFFFAOYSA-N -1 0 303.296 -0.432 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cnc(C(=O)OCC)cn1 ZINC001195938820 834737618 /nfs/dbraw/zinc/73/76/18/834737618.db2.gz DNSVLAPDCZKPEC-UHFFFAOYSA-N -1 0 317.323 -0.042 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC001260591945 834740603 /nfs/dbraw/zinc/74/06/03/834740603.db2.gz UNJXCTWYKKCHSV-UHFFFAOYSA-N -1 0 310.328 -0.332 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)Nc1ccc(CC(N)=O)cc1 ZINC001260591635 834740815 /nfs/dbraw/zinc/74/08/15/834740815.db2.gz DFRGUGDXFUWADA-UHFFFAOYSA-N -1 0 306.365 -0.542 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)Nc1ccc2c(c1)CC(=O)NC2 ZINC001260593416 834740958 /nfs/dbraw/zinc/74/09/58/834740958.db2.gz LTIFVQCWKMVNTB-UHFFFAOYSA-N -1 0 318.376 -0.397 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1ccc(C(N)=O)cc1O ZINC001260593603 834741523 /nfs/dbraw/zinc/74/15/23/834741523.db2.gz VGJNYJXBQIAJLB-UHFFFAOYSA-N -1 0 308.337 -0.765 20 0 DBADRM Cc1cccc2c1[C@@H](NS(=O)(=O)CS(C)(=O)=O)C(=O)N2 ZINC001260594236 834741987 /nfs/dbraw/zinc/74/19/87/834741987.db2.gz LLHHLJDZUXFIMT-SNVBAGLBSA-N -1 0 318.376 -0.090 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)CS(C)(=O)=O)C(F)(F)F ZINC001260595871 834742535 /nfs/dbraw/zinc/74/25/35/834742535.db2.gz OIAZMZLAXCUJFG-BYPYZUCNSA-N -1 0 313.275 -0.988 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-][C@H](C(=O)OC)C1CCOCC1 ZINC001195983904 834743460 /nfs/dbraw/zinc/74/34/60/834743460.db2.gz ILKZUGSJTPSZRO-NSHDSACASA-N -1 0 323.367 -0.563 20 0 DBADRM CCC(CO)(CO)NS(=O)(=O)c1cnc(NC(C)=O)s1 ZINC001260708874 834746070 /nfs/dbraw/zinc/74/60/70/834746070.db2.gz GSEYHEJEIICRDC-UHFFFAOYSA-N -1 0 323.396 -0.487 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NCCn2cnnc2)s1 ZINC001260709269 834746238 /nfs/dbraw/zinc/74/62/38/834746238.db2.gz DHIJNJRBBKUAKW-UHFFFAOYSA-N -1 0 316.368 -0.329 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)NCS(=O)(=O)[O-])c1 ZINC001260846579 834746526 /nfs/dbraw/zinc/74/65/26/834746526.db2.gz CDXSNYFWFAULHK-UHFFFAOYSA-N -1 0 309.321 -0.403 20 0 DBADRM CCOC(=O)/C=C(/[N-]S(=O)(=O)CC(=O)OCC)OCC ZINC001196004854 834748188 /nfs/dbraw/zinc/74/81/88/834748188.db2.gz QVQVSMAOQSTTTL-CLFYSBASSA-N -1 0 309.340 -0.090 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001261083931 834750860 /nfs/dbraw/zinc/75/08/60/834750860.db2.gz UCQWUPVXXNFUHJ-IJLUTSLNSA-N -1 0 316.354 -0.619 20 0 DBADRM CC(C)C1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CC1 ZINC001196067856 834755863 /nfs/dbraw/zinc/75/58/63/834755863.db2.gz GVMBROUWLPFHLH-NXEZZACHSA-N -1 0 309.370 -0.392 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1cncc(=O)[nH]1 ZINC001196163690 834762064 /nfs/dbraw/zinc/76/20/64/834762064.db2.gz AHLQFIJCKLJJNP-UHFFFAOYSA-N -1 0 320.286 -0.546 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)C(=O)[N-]OCCC2CC2)cn1 ZINC001261242058 834772755 /nfs/dbraw/zinc/77/27/55/834772755.db2.gz HHLOAKOEFLUGPA-UHFFFAOYSA-N -1 0 309.326 -0.585 20 0 DBADRM CS(=O)(=O)N1CC(NC(=O)c2cc(Cl)ncc2[O-])C1 ZINC001196396692 834783910 /nfs/dbraw/zinc/78/39/10/834783910.db2.gz MPZQIDBBOSSSFF-UHFFFAOYSA-N -1 0 305.743 -0.186 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001261457660 834787847 /nfs/dbraw/zinc/78/78/47/834787847.db2.gz SQVNBSUBQVWWDO-SECBINFHSA-N -1 0 313.397 -0.262 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1nc(Br)c[nH]c1=O ZINC001196505366 834789390 /nfs/dbraw/zinc/78/93/90/834789390.db2.gz NGYBWHVNWWVEIV-UHFFFAOYSA-N -1 0 315.087 -0.714 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC001261481018 834791805 /nfs/dbraw/zinc/79/18/05/834791805.db2.gz IOMAAYWXWKAAGN-HTQZYQBOSA-N -1 0 301.324 -0.098 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1cc(CCOC)nn1C)C(=O)[O-] ZINC001261482589 834792080 /nfs/dbraw/zinc/79/20/80/834792080.db2.gz RMWAGLHZCNDNHJ-VIFPVBQESA-N -1 0 312.326 -0.473 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cn1 ZINC001261482806 834792143 /nfs/dbraw/zinc/79/21/43/834792143.db2.gz ZMFLBTMKPUXQHP-VHSXEESVSA-N -1 0 324.337 -0.163 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001261480784 834792249 /nfs/dbraw/zinc/79/22/49/834792249.db2.gz ZTUUVLQLGMLROC-SECBINFHSA-N -1 0 307.306 -0.208 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC001261510580 834795672 /nfs/dbraw/zinc/79/56/72/834795672.db2.gz DDHMMNHEQWQUQG-SECBINFHSA-N -1 0 301.347 -0.856 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](COC)c1ccccc1 ZINC001261533921 834801951 /nfs/dbraw/zinc/80/19/51/834801951.db2.gz ASSSHRYJTNZGDG-GFCCVEGCSA-N -1 0 323.349 -0.326 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCC1(COC)CC1 ZINC001261540723 834804355 /nfs/dbraw/zinc/80/43/55/834804355.db2.gz QOPNVTSQMFQAAI-UHFFFAOYSA-N -1 0 301.343 -0.897 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCS[C@H](C)CC1 ZINC001261543456 834804945 /nfs/dbraw/zinc/80/49/45/834804945.db2.gz OQPLBLQRERBLNG-SECBINFHSA-N -1 0 303.384 -0.476 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCS[C@H](C)[C@@H]1C ZINC001261543075 834805387 /nfs/dbraw/zinc/80/53/87/834805387.db2.gz CRXPLOOOVZNRDI-DTWKUNHWSA-N -1 0 303.384 -0.477 20 0 DBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)CN2CCSC2=O)cn1 ZINC001261549333 834806061 /nfs/dbraw/zinc/80/60/61/834806061.db2.gz RAXAXPGHXJLFSI-UHFFFAOYSA-N -1 0 318.380 -0.465 20 0 DBADRM COC[C@@H](OC)C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001197110475 834834131 /nfs/dbraw/zinc/83/41/31/834834131.db2.gz JFLKIQIIUPFCGM-SNVBAGLBSA-N -1 0 313.358 -0.794 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(c2ccon2)CC1 ZINC001261721341 834838802 /nfs/dbraw/zinc/83/88/02/834838802.db2.gz YVZLUTKTPGBUTB-UHFFFAOYSA-N -1 0 324.337 -0.436 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cccc(OC)c1C ZINC001261720824 834839072 /nfs/dbraw/zinc/83/90/72/834839072.db2.gz NCSXPHNEPVYBRQ-UHFFFAOYSA-N -1 0 323.349 -0.196 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC001261725458 834839827 /nfs/dbraw/zinc/83/98/27/834839827.db2.gz ZKSJMHFOGWLTJI-NXEZZACHSA-N -1 0 306.384 -0.228 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC001261725459 834840293 /nfs/dbraw/zinc/84/02/93/834840293.db2.gz ZKSJMHFOGWLTJI-UWVGGRQHSA-N -1 0 306.384 -0.228 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001261729691 834841166 /nfs/dbraw/zinc/84/11/66/834841166.db2.gz HVVUWWROYBJQRB-JTQLQIEISA-N -1 0 315.370 -0.556 20 0 DBADRM CCC[C@H](CC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001197265225 834851219 /nfs/dbraw/zinc/85/12/19/834851219.db2.gz GPOMTBFNSGPTQM-HBNTYKKESA-N -1 0 311.386 -0.002 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001197466696 834870908 /nfs/dbraw/zinc/87/09/08/834870908.db2.gz DSHNGDYGPCAGOY-UHFFFAOYSA-N -1 0 324.385 -0.541 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(SC)CC1 ZINC001261979780 834888956 /nfs/dbraw/zinc/88/89/56/834888956.db2.gz QJDUFNDYXJEWIW-UHFFFAOYSA-N -1 0 303.384 -0.476 20 0 DBADRM CCON(CC)C(=O)CNC(=O)C(=O)[N-]OCCSC ZINC001261982702 834889319 /nfs/dbraw/zinc/88/93/19/834889319.db2.gz IFPQVCVAQRJLDQ-UHFFFAOYSA-N -1 0 307.372 -0.687 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCC[C@@H]1CCOC1=O ZINC001262003341 834893595 /nfs/dbraw/zinc/89/35/95/834893595.db2.gz RWUYHTZQQRTFJG-SECBINFHSA-N -1 0 304.368 -0.143 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCC[C@H]1CCOC1=O ZINC001262003342 834894182 /nfs/dbraw/zinc/89/41/82/834894182.db2.gz RWUYHTZQQRTFJG-VIFPVBQESA-N -1 0 304.368 -0.143 20 0 DBADRM C[C@H](NC(=O)c1c[n-]n2c1nccc2=O)c1nnnn1C1CC1 ZINC001262023412 834896432 /nfs/dbraw/zinc/89/64/32/834896432.db2.gz WAMRQHNNDGEYCB-ZETCQYMHSA-N -1 0 314.309 -0.165 20 0 DBADRM C[C@@]1(C(F)F)CN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001262056602 834898898 /nfs/dbraw/zinc/89/88/98/834898898.db2.gz VIXJVZIUXJYHND-DAROEXNTSA-N -1 0 320.292 -0.152 20 0 DBADRM C[C@]1(C(F)F)CN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001262056601 834899686 /nfs/dbraw/zinc/89/96/86/834899686.db2.gz VIXJVZIUXJYHND-BFHDXFOESA-N -1 0 320.292 -0.152 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@@H](OC)C(=O)[O-])[C@H](C)C1 ZINC001262158316 834912993 /nfs/dbraw/zinc/91/29/93/834912993.db2.gz FZJDUNXIDLULTM-MWLCHTKSSA-N -1 0 302.327 -0.818 20 0 DBADRM CSC[C@H](NC(=O)NCCCN1CCOCC1)C(=O)[O-] ZINC001262175709 834914650 /nfs/dbraw/zinc/91/46/50/834914650.db2.gz PJCPUJWKSXLGKA-JTQLQIEISA-N -1 0 305.400 -0.176 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cncn1CCF ZINC001198040222 834922744 /nfs/dbraw/zinc/92/27/44/834922744.db2.gz UOPKAOKBBMSHJP-QMMMGPOBSA-N -1 0 301.274 -0.011 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC001262266830 834926310 /nfs/dbraw/zinc/92/63/10/834926310.db2.gz AMGLCCIAVKQCQX-IAQYHMDHSA-N -1 0 305.334 -0.373 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1ccncc1N1CCN(C)CC1 ZINC001198140405 834928507 /nfs/dbraw/zinc/92/85/07/834928507.db2.gz VLSOXHLIUOUOKS-UHFFFAOYSA-N -1 0 302.342 -0.969 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC001262302206 834930755 /nfs/dbraw/zinc/93/07/55/834930755.db2.gz IQKFOSLVSVWHBH-PBINXNQUSA-N -1 0 315.395 -0.429 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1ccncc1N1CCOCC1 ZINC001198215369 834933002 /nfs/dbraw/zinc/93/30/02/834933002.db2.gz DSIKNFRWADYUBP-UHFFFAOYSA-N -1 0 301.324 -0.507 20 0 DBADRM Cc1ncc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)F)n1C ZINC001198415126 834945175 /nfs/dbraw/zinc/94/51/75/834945175.db2.gz KCMVELSOTPEDMZ-UHFFFAOYSA-N -1 0 314.289 -0.315 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cc(NCC2CCOCC2)ccn1 ZINC001198536913 834952241 /nfs/dbraw/zinc/95/22/41/834952241.db2.gz VREMGFKBBCHICY-UHFFFAOYSA-N -1 0 317.353 -0.215 20 0 DBADRM Nc1c2c(=O)nccc-2[n-]n1C(=O)c1cnc2ccccn2c1=O ZINC001198548726 834952778 /nfs/dbraw/zinc/95/27/78/834952778.db2.gz CVSSNBFPPGJGPI-UHFFFAOYSA-N -1 0 322.284 -0.045 20 0 DBADRM COc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1CO[N-]C1=O ZINC001198710598 834963349 /nfs/dbraw/zinc/96/33/49/834963349.db2.gz XTTVURRZKHFSIV-RXMQYKEDSA-N -1 0 307.715 -0.548 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)NCCN1CCNC1=O ZINC001198739240 834966194 /nfs/dbraw/zinc/96/61/94/834966194.db2.gz HGXCNTDRRYHFHB-UHFFFAOYSA-N -1 0 313.335 -0.312 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)NC1CS(=O)(=O)C1 ZINC001198739564 834966815 /nfs/dbraw/zinc/96/68/15/834966815.db2.gz NLLPHYQCQXQMJK-UHFFFAOYSA-N -1 0 305.333 -0.540 20 0 DBADRM CO[C@H]1CC[C@@H]1N(C)C(=O)NCCOCCOCC(=O)[O-] ZINC001263071693 834970312 /nfs/dbraw/zinc/97/03/12/834970312.db2.gz IOJZBOQENBUOCI-QWRGUYRKSA-N -1 0 304.343 -0.077 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cncc(OCC2CCOCC2)n1 ZINC001199165209 834994261 /nfs/dbraw/zinc/99/42/61/834994261.db2.gz HBWCHCAYPVUJRN-UHFFFAOYSA-N -1 0 319.325 -0.275 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)[nH]c1=O ZINC001199269130 835004347 /nfs/dbraw/zinc/00/43/47/835004347.db2.gz JSGALLKGGQFNJY-XPUUQOCRSA-N -1 0 315.307 -0.772 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1cncc(N2CCOCC2)c1 ZINC001199272845 835006438 /nfs/dbraw/zinc/00/64/38/835006438.db2.gz OEECARZBWKSSCM-UHFFFAOYSA-N -1 0 301.324 -0.507 20 0 DBADRM COc1nccc(C(=O)NC(=N)SCCS(=O)(=O)[O-])n1 ZINC001199325625 835012077 /nfs/dbraw/zinc/01/20/77/835012077.db2.gz PBLSJGUDCROQII-UHFFFAOYSA-N -1 0 320.352 -0.229 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cc(NCC2CCOCC2)ncn1 ZINC001199440976 835022990 /nfs/dbraw/zinc/02/29/90/835022990.db2.gz PHOGHNDZPXPEHE-UHFFFAOYSA-N -1 0 318.341 -0.242 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1ccncc1OC1CCOCC1 ZINC001199627398 835041415 /nfs/dbraw/zinc/04/14/15/835041415.db2.gz GIOBBFXEAUSYTL-LLVKDONJSA-N -1 0 307.306 -0.201 20 0 DBADRM O=C(NCc1nnn[n-]1)c1ccnc(OCC2CCOCC2)n1 ZINC001199646928 835042393 /nfs/dbraw/zinc/04/23/93/835042393.db2.gz WKVMPAQRRUSZGH-UHFFFAOYSA-N -1 0 319.325 -0.275 20 0 DBADRM CN(CCCNC(=O)c1cnc2n1CCC2)Cc1n[nH]c(=O)[n-]1 ZINC001264997212 835066744 /nfs/dbraw/zinc/06/67/44/835066744.db2.gz ZNYFLKWDDRYQEF-UHFFFAOYSA-N -1 0 319.369 -0.095 20 0 DBADRM O=C1[N-]C(=O)[C@@H](NC(=S)NCCN2CCOCC2)S1 ZINC001200132641 835097289 /nfs/dbraw/zinc/09/72/89/835097289.db2.gz JDAZHTYJZABCNH-QMMMGPOBSA-N -1 0 304.397 -0.908 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]c1nccnc1C(N)=O ZINC001201905575 835217314 /nfs/dbraw/zinc/21/73/14/835217314.db2.gz XHWZMBJJMWHZQQ-UHFFFAOYSA-N -1 0 302.312 -0.730 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]c1c(C)n(C)nc1C(N)=O ZINC001201905411 835217420 /nfs/dbraw/zinc/21/74/20/835217420.db2.gz UEFPADUPMGMOFU-UHFFFAOYSA-N -1 0 318.355 -0.478 20 0 DBADRM CCOC(=O)C([N-]S(=O)(=O)CCCC(=O)OC)=C(C)O ZINC001201920967 835219890 /nfs/dbraw/zinc/21/98/90/835219890.db2.gz MYCDWRXNMNSVGV-SNVBAGLBSA-N -1 0 309.340 -0.620 20 0 DBADRM O=C(NCC1CC1)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001266242555 835253528 /nfs/dbraw/zinc/25/35/28/835253528.db2.gz DRLDRWJOUYNPBL-SNVBAGLBSA-N -1 0 322.369 -0.883 20 0 DBADRM Cn1[n-]nnc1=Nc1cc(F)cc(C(=O)N2CCOCC2)c1 ZINC001202982604 835274563 /nfs/dbraw/zinc/27/45/63/835274563.db2.gz UNCSVQQTHPJAFQ-UHFFFAOYSA-N -1 0 306.301 -0.013 20 0 DBADRM O=S(=O)([O-])CCCCN1CCN(Cc2cn[nH]n2)CC1 ZINC001203212626 835285609 /nfs/dbraw/zinc/28/56/09/835285609.db2.gz UEFFUTXGOJUTIY-UHFFFAOYSA-N -1 0 303.388 -0.410 20 0 DBADRM CCN(CCNC(=O)c1cnn2cc[nH]c12)Cc1n[nH]c(=O)[n-]1 ZINC001266432088 835305955 /nfs/dbraw/zinc/30/59/55/835305955.db2.gz QYYIATVGNXAPNH-UHFFFAOYSA-N -1 0 318.341 -0.262 20 0 DBADRM COC(CO[C@H](CN1CCOCC1)CS(=O)(=O)[O-])OC ZINC001204894125 835330618 /nfs/dbraw/zinc/33/06/18/835330618.db2.gz BDZNDPHAKJYQDI-SNVBAGLBSA-N -1 0 313.372 -0.790 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)OCCS(=O)(=O)c1ccccc1 ZINC001206074284 835376102 /nfs/dbraw/zinc/37/61/02/835376102.db2.gz LDHNDBGFNLAHNL-SNVBAGLBSA-N -1 0 302.304 -0.161 20 0 DBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccccc1N ZINC001206315624 835392474 /nfs/dbraw/zinc/39/24/74/835392474.db2.gz SSGMXOZNCCPECI-UHFFFAOYSA-N -1 0 312.311 -0.720 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(-c2cnn(CCO)c2)nc1 ZINC001206553236 835401400 /nfs/dbraw/zinc/40/14/00/835401400.db2.gz FPCUSGJERPRASJ-UHFFFAOYSA-N -1 0 310.335 -0.238 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CC1(O)CCC1 ZINC001206944870 835443333 /nfs/dbraw/zinc/44/33/33/835443333.db2.gz BSSWCLNTGHICMO-NXEZZACHSA-N -1 0 309.370 -0.248 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001207078373 835456549 /nfs/dbraw/zinc/45/65/49/835456549.db2.gz JUDHOFDWDLUWOR-OPRDCNLKSA-N -1 0 324.385 -0.639 20 0 DBADRM CCOCCC(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001267643802 835549653 /nfs/dbraw/zinc/54/96/53/835549653.db2.gz ZEDUUAYKCHWUGN-UHFFFAOYSA-N -1 0 319.365 -0.250 20 0 DBADRM CC(C)C[C@@H](C(N)=O)C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001267700050 835569443 /nfs/dbraw/zinc/56/94/43/835569443.db2.gz HZMPBQXTNIHYQK-JTQLQIEISA-N -1 0 324.385 -0.794 20 0 DBADRM CC(C)OCCCN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001268332365 835669300 /nfs/dbraw/zinc/66/93/00/835669300.db2.gz PAUNMKDLTVXZQM-UHFFFAOYSA-N -1 0 311.342 -0.488 20 0 DBADRM CCN(CCNCc1nccn1C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001268493197 835708666 /nfs/dbraw/zinc/70/86/66/835708666.db2.gz CWTDCJKXINNQMD-UHFFFAOYSA-N -1 0 323.357 -0.939 20 0 DBADRM O=C(Cc1cscn1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001268595407 835747677 /nfs/dbraw/zinc/74/76/77/835747677.db2.gz IESUXCSQVCSYFA-UPHRSURJSA-N -1 0 308.367 -0.029 20 0 DBADRM CN(CCC[NH2+]Cc1n[nH]c(=O)[n-]1)C(=O)c1cnn2cc[nH]c12 ZINC001268930862 835842062 /nfs/dbraw/zinc/84/20/62/835842062.db2.gz IZHMVSSZLHMRDO-UHFFFAOYSA-N -1 0 318.341 -0.262 20 0 DBADRM O=C(Nc1nnco1)c1nnc2n1CCN(C(=O)C1(F)CC1)C2 ZINC001268934058 835842900 /nfs/dbraw/zinc/84/29/00/835842900.db2.gz WEXOISADRODCOH-UHFFFAOYSA-N -1 0 321.272 -0.242 20 0 DBADRM NC(=O)c1ccccc1NC(=O)CN1CCOC[C@@H]1CC(=O)[O-] ZINC000321409704 970769115 /nfs/dbraw/zinc/76/91/15/970769115.db2.gz GZNQDQRHETYHML-JTQLQIEISA-N -1 0 321.333 -0.101 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000321557027 970781922 /nfs/dbraw/zinc/78/19/22/970781922.db2.gz MIBZWEUPXWQODU-NSHDSACASA-N -1 0 320.261 -0.044 20 0 DBADRM N#Cc1ccc(NC(=O)CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000321942208 970828050 /nfs/dbraw/zinc/82/80/50/970828050.db2.gz BOCVNPJMADVPOP-GFCCVEGCSA-N -1 0 316.317 -0.228 20 0 DBADRM NC(=O)Nc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000322035113 970838936 /nfs/dbraw/zinc/83/89/36/970838936.db2.gz UIAKGCYIFZFUPP-JTQLQIEISA-N -1 0 320.305 -0.408 20 0 DBADRM CNC(=O)C[C@@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000322613054 970910622 /nfs/dbraw/zinc/91/06/22/970910622.db2.gz LNQFUQVWWOEGGV-MRVPVSSYSA-N -1 0 307.372 -0.858 20 0 DBADRM Cn1ncc(Br)c1CC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001601020055 970908488 /nfs/dbraw/zinc/90/84/88/970908488.db2.gz WDPYIGUBKRWQJS-SNVBAGLBSA-N -1 0 320.143 -0.323 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N[C@@H]2COC[C@H]2O)c1 ZINC000323060533 970963435 /nfs/dbraw/zinc/96/34/35/970963435.db2.gz KYPXOTIBXLHKQZ-RKDXNWHRSA-N -1 0 305.283 -0.438 20 0 DBADRM O=C([O-])c1ccc(CS(=O)(=O)N[C@@H]2COC[C@H]2O)cc1 ZINC000323085395 970964903 /nfs/dbraw/zinc/96/49/03/970964903.db2.gz QUNXQNMTWVTOOS-GHMZBOCLSA-N -1 0 301.320 -0.436 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)NCc2nnc3n2CCC3)CC1 ZINC001601550566 971013961 /nfs/dbraw/zinc/01/39/61/971013961.db2.gz ATIFWPDMZGAZCQ-UHFFFAOYSA-N -1 0 321.337 -0.836 20 0 DBADRM O=C([O-])CC1(NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CCC1 ZINC001601931603 971089738 /nfs/dbraw/zinc/08/97/38/971089738.db2.gz CATZRMRUGTVGDC-QMMMGPOBSA-N -1 0 323.309 -0.486 20 0 DBADRM C[C@H](C(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1)C1CC1 ZINC001573603787 947496947 /nfs/dbraw/zinc/49/69/47/947496947.db2.gz JUQTUARXPLSMDN-VIFPVBQESA-N -1 0 316.369 -0.005 20 0 DBADRM C[C@@H](C(=O)N(C)Cc1ncccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001573604728 947516100 /nfs/dbraw/zinc/51/61/00/947516100.db2.gz QJRXWGXCCQFWCQ-QMMMGPOBSA-N -1 0 314.313 -0.532 20 0 DBADRM C[C@@H]1CCC[C@]1(O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000328062942 971443726 /nfs/dbraw/zinc/44/37/26/971443726.db2.gz BXXAFGOMSZJECR-SKDRFNHKSA-N -1 0 317.367 -0.203 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCn2ccnc21)n1cnc(-c2nnn[n-]2)n1 ZINC001573673844 948115897 /nfs/dbraw/zinc/11/58/97/948115897.db2.gz LQSOEXGFLJIYGG-JGVFFNPUSA-N -1 0 314.313 -0.523 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC000328321443 971462443 /nfs/dbraw/zinc/46/24/43/971462443.db2.gz CNQVBLYGCKCMRV-QIBSRJKCSA-N -1 0 309.322 -0.312 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)CNC(=O)Nc1ccccc1 ZINC000328344817 971463769 /nfs/dbraw/zinc/46/37/69/971463769.db2.gz HUYAFKYUSUICCH-GHMZBOCLSA-N -1 0 307.306 -0.146 20 0 DBADRM CC(=O)N1CC[C@H](C)[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573435539 948231878 /nfs/dbraw/zinc/23/18/78/948231878.db2.gz YIOCQLJCISOKFG-ONGXEEELSA-N -1 0 316.369 -0.005 20 0 DBADRM COCCn1nc(C(=O)N[C@](C)(COC)C(=O)[O-])ccc1=O ZINC000328502328 971485011 /nfs/dbraw/zinc/48/50/11/971485011.db2.gz VJZAXLBBVGPMFD-CYBMUJFWSA-N -1 0 313.310 -0.891 20 0 DBADRM CC[C@](COC)(NC(=O)[C@H]1CC(=O)N(CCOC)C1)C(=O)[O-] ZINC000328525530 971490332 /nfs/dbraw/zinc/49/03/32/971490332.db2.gz JBEYOYQLUZNDCU-IINYFYTJSA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001570918562 948575094 /nfs/dbraw/zinc/57/50/94/948575094.db2.gz HBNCJCZZVFGZRY-UWVGGRQHSA-N -1 0 314.353 -0.039 20 0 DBADRM Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NC1(c2nnn[n-]2)CCC1 ZINC001570919258 948585387 /nfs/dbraw/zinc/58/53/87/948585387.db2.gz QMDLZYARVOYLFJ-UHFFFAOYSA-N -1 0 314.313 -0.174 20 0 DBADRM Nc1n[nH]c(CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001570919266 948585933 /nfs/dbraw/zinc/58/59/33/948585933.db2.gz QUTPLECOPJWGLZ-UHFFFAOYSA-N -1 0 314.313 -0.434 20 0 DBADRM COC(=O)C[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001570919625 948588466 /nfs/dbraw/zinc/58/84/66/948588466.db2.gz XILIREFRXQUFSX-ZCFIWIBFSA-N -1 0 315.311 -0.310 20 0 DBADRM Cn1c(=O)[nH]c(Nc2cccc(CO)c2)c(-c2nnn[n-]2)c1=O ZINC001570919683 948591326 /nfs/dbraw/zinc/59/13/26/948591326.db2.gz YSZBJOYMRXQRIG-UHFFFAOYSA-N -1 0 315.293 -0.098 20 0 DBADRM C[C@@H](C(=O)NN1C[C@@H]2CCC[C@@H]2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573731801 948597017 /nfs/dbraw/zinc/59/70/17/948597017.db2.gz ZGAYYROMFWTMBF-LPEHRKFASA-N -1 0 317.357 -0.218 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2C[C@H]2C2CCC2)n(C)c1=O ZINC001570920756 948607422 /nfs/dbraw/zinc/60/74/22/948607422.db2.gz BGYKFMWELVROBO-DTWKUNHWSA-N -1 0 317.353 -0.135 20 0 DBADRM Cc1nn(CCN2CCOC[C@@H]2C)c(=O)c(-c2nnn[n-]2)c1C ZINC001570921651 948624609 /nfs/dbraw/zinc/62/46/09/948624609.db2.gz JRETYIPXDITGQE-VIFPVBQESA-N -1 0 319.369 -0.239 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)c2cscn2)c1=O ZINC001570921742 948626742 /nfs/dbraw/zinc/62/67/42/948626742.db2.gz MZQPDNKAPNXVPS-UHFFFAOYSA-N -1 0 319.306 -0.934 20 0 DBADRM COC(C)(C)[C@H](C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001570922901 948649037 /nfs/dbraw/zinc/64/90/37/948649037.db2.gz OHDUUOGYZMTAJB-QMMMGPOBSA-N -1 0 323.361 -0.429 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCC(=O)OC(C)C ZINC001570922862 948649100 /nfs/dbraw/zinc/64/91/00/948649100.db2.gz PMZRWNKMWWCBFW-UHFFFAOYSA-N -1 0 320.309 -0.043 20 0 DBADRM COC[C@@]1(C)CCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001570923069 948654697 /nfs/dbraw/zinc/65/46/97/948654697.db2.gz SYHVKQNBSHXXGR-RNCFNFMXSA-N -1 0 320.357 -0.096 20 0 DBADRM CC[C@](C)(CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1)OC ZINC001570923457 948662401 /nfs/dbraw/zinc/66/24/01/948662401.db2.gz YOJBAAVTPIMBQT-GFCCVEGCSA-N -1 0 323.361 -0.428 20 0 DBADRM CC(C)[C@@H](F)C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001574079119 948764228 /nfs/dbraw/zinc/76/42/28/948764228.db2.gz ACSPLOATBMFVAP-SECBINFHSA-N -1 0 308.321 -0.399 20 0 DBADRM CC[C@H](CNCc1nccn1S(=O)(=O)N(C)C)C(=O)[O-] ZINC001589554608 948778539 /nfs/dbraw/zinc/77/85/39/948778539.db2.gz SWMNKKAENLJZAL-SECBINFHSA-N -1 0 304.372 -0.262 20 0 DBADRM CC[C@@H](CO)N(C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589555111 948782308 /nfs/dbraw/zinc/78/23/08/948782308.db2.gz GWYRCJHPJBPZBQ-WDEREUQCSA-N -1 0 315.370 -0.136 20 0 DBADRM CC[C@](COC)(N[C@@H]1CCN(CC(=O)[O-])C1=O)C(=O)OC ZINC001589558976 948805400 /nfs/dbraw/zinc/80/54/00/948805400.db2.gz YKHAIVZNPQHYAS-NOZJJQNGSA-N -1 0 302.327 -0.770 20 0 DBADRM CN(CC(=O)NC1CC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037656799 948840857 /nfs/dbraw/zinc/84/08/57/948840857.db2.gz BPSYRARLLCOCNB-UHFFFAOYSA-N -1 0 319.383 -0.762 20 0 DBADRM CCOC(=O)[C@@H](C)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001570932619 948860571 /nfs/dbraw/zinc/86/05/71/948860571.db2.gz UZBDJAKYFVGODK-LURJTMIESA-N -1 0 323.313 -0.723 20 0 DBADRM COC[C@@](C)(CO)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001570932716 948864190 /nfs/dbraw/zinc/86/41/90/948864190.db2.gz WWJPJPVSAZOFJJ-CYBMUJFWSA-N -1 0 322.325 -0.597 20 0 DBADRM C[C@H](CN(C)C(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000042699655 948877937 /nfs/dbraw/zinc/87/79/37/948877937.db2.gz VOZBCRFTCOJYBK-SECBINFHSA-N -1 0 306.384 -0.163 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CNC(=O)c1ccccc1)C(=O)[O-] ZINC000059951178 948943321 /nfs/dbraw/zinc/94/33/21/948943321.db2.gz ZPXJKTXUOMXDIO-NSHDSACASA-N -1 0 322.317 -0.061 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000062935258 948966054 /nfs/dbraw/zinc/96/60/54/948966054.db2.gz JGEJBCBJCZENPK-JOYOIKCWSA-N -1 0 304.368 -0.073 20 0 DBADRM CS(=O)(=O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000070127485 948977304 /nfs/dbraw/zinc/97/73/04/948977304.db2.gz JVBXLXCAGIZWCU-JTQLQIEISA-N -1 0 301.320 -0.451 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC000080670721 949012529 /nfs/dbraw/zinc/01/25/29/949012529.db2.gz IBSUQEZZKOQDBU-QMMMGPOBSA-N -1 0 316.339 -0.140 20 0 DBADRM CC[C@H](CNC(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000087508706 949089558 /nfs/dbraw/zinc/08/95/58/949089558.db2.gz ODMJUJRVHZLRHP-MRVPVSSYSA-N -1 0 309.388 -0.276 20 0 DBADRM COc1ccc(OC)c(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000090276878 949123468 /nfs/dbraw/zinc/12/34/68/949123468.db2.gz DHJSRPDWAUVTLC-GFCCVEGCSA-N -1 0 319.335 -0.182 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1csnn1 ZINC001575254735 949212672 /nfs/dbraw/zinc/21/26/72/949212672.db2.gz XEHADPJMFOLMQZ-RITPCOANSA-N -1 0 320.342 -0.252 20 0 DBADRM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1ccnn1C ZINC001575255193 949225148 /nfs/dbraw/zinc/22/51/48/949225148.db2.gz YLCKMVNHNOTLPL-YUMQZZPRSA-N -1 0 316.329 -0.370 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1ccnn1C ZINC001575255189 949225603 /nfs/dbraw/zinc/22/56/03/949225603.db2.gz YLCKMVNHNOTLPL-SFYZADRCSA-N -1 0 316.329 -0.370 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCc2nnc3c(=O)[nH]ccn23)nc1 ZINC001595220883 949243977 /nfs/dbraw/zinc/24/39/77/949243977.db2.gz NLAVGAMHYMVXMU-UHFFFAOYSA-N -1 0 314.261 -0.559 20 0 DBADRM O=C([O-])c1ccc(C(=O)NCC23COCCN2CCOC3)nc1 ZINC001595221049 949249171 /nfs/dbraw/zinc/24/91/71/949249171.db2.gz POILWVUFZXQMEL-UHFFFAOYSA-N -1 0 321.333 -0.389 20 0 DBADRM O=C([O-])c1ccc(C=CC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)o1 ZINC001595226833 949304548 /nfs/dbraw/zinc/30/45/48/949304548.db2.gz NZUZEXZPVAZEFS-MDHMXLOGSA-N -1 0 319.273 -0.246 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000141333605 949346413 /nfs/dbraw/zinc/34/64/13/949346413.db2.gz JPZGQYLECQTRCE-UHFFFAOYSA-N -1 0 307.306 -0.681 20 0 DBADRM CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001589618706 949385271 /nfs/dbraw/zinc/38/52/71/949385271.db2.gz BYQQBIPHIKNFAY-SNVBAGLBSA-N -1 0 309.326 -0.554 20 0 DBADRM O=C([O-])c1ccc(NC[C@@]23COCCN2C(=O)COC3)nc1 ZINC001595235673 949391665 /nfs/dbraw/zinc/39/16/65/949391665.db2.gz BJOGEBNBVFEKQQ-AWEZNQCLSA-N -1 0 307.306 -0.181 20 0 DBADRM CC(C)(C)C(=O)NC[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001573802548 949419860 /nfs/dbraw/zinc/41/98/60/949419860.db2.gz HXKXDNSPGGZSAS-QMMMGPOBSA-N -1 0 320.357 -0.986 20 0 DBADRM CC(C)CC(=O)NC[C@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574116990 949445070 /nfs/dbraw/zinc/44/50/70/949445070.db2.gz IVVRJFOOZQPKPH-SECBINFHSA-N -1 0 320.357 -0.986 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CCOC[C@H]2CO)CCOCC1 ZINC000168399660 949467604 /nfs/dbraw/zinc/46/76/04/949467604.db2.gz XKNGIYHIYKDSSL-SNVBAGLBSA-N -1 0 302.327 -0.730 20 0 DBADRM C[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001575870347 949488323 /nfs/dbraw/zinc/48/83/23/949488323.db2.gz VBPKNTAIXNCQIJ-RKDXNWHRSA-N -1 0 324.366 -0.347 20 0 DBADRM C[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001575870344 949489856 /nfs/dbraw/zinc/48/98/56/949489856.db2.gz VBPKNTAIXNCQIJ-DTWKUNHWSA-N -1 0 324.366 -0.347 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)C1CC1 ZINC000378831035 971584417 /nfs/dbraw/zinc/58/44/17/971584417.db2.gz RYBAIWCZIOGHOB-SNVBAGLBSA-N -1 0 303.340 -0.329 20 0 DBADRM O=C([O-])c1ccccc1CC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001595255001 949585800 /nfs/dbraw/zinc/58/58/00/949585800.db2.gz MWLGRPGWJBVFPH-LLVKDONJSA-N -1 0 317.301 -0.310 20 0 DBADRM CCC[C@H](O)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589634670 949599621 /nfs/dbraw/zinc/59/96/21/949599621.db2.gz VDKVPOOMXQLKPB-VIFPVBQESA-N -1 0 307.368 -0.457 20 0 DBADRM CCC[C@@]1(C)C(=O)NCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001589635177 949609230 /nfs/dbraw/zinc/60/92/30/949609230.db2.gz FCJJQOMYLQGDQU-ZDUSSCGKSA-N -1 0 309.326 -0.507 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)c2ccsc2CC(=O)[O-])CC1 ZINC000379026450 971592481 /nfs/dbraw/zinc/59/24/81/971592481.db2.gz CCMAKNRRVSWKRG-UHFFFAOYSA-N -1 0 312.347 -0.172 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000230910755 949735077 /nfs/dbraw/zinc/73/50/77/949735077.db2.gz IRCYRIXOFOXFEX-BBBLOLIVSA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])c1ccnc(NC[C@]23COCCN2C(=O)COC3)c1 ZINC001595265432 949739561 /nfs/dbraw/zinc/73/95/61/949739561.db2.gz OTELJSGLHGGYFN-CQSZACIVSA-N -1 0 307.306 -0.181 20 0 DBADRM CCCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H](OC)C(=O)[O-] ZINC001589659134 949837302 /nfs/dbraw/zinc/83/73/02/949837302.db2.gz FHHLPYXFEDRBDZ-IUCAKERBSA-N -1 0 304.368 -0.144 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000235032167 949843592 /nfs/dbraw/zinc/84/35/92/949843592.db2.gz MGJHSUSTJAQZQI-VHSXEESVSA-N -1 0 304.368 -0.409 20 0 DBADRM CCCN(C(=O)CSCC(=O)[O-])[C@@H]1CC(=O)N(C)C1=O ZINC001589659408 949845458 /nfs/dbraw/zinc/84/54/58/949845458.db2.gz RTXDDSXWRZXHEH-MRVPVSSYSA-N -1 0 302.352 -0.200 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)C(=O)[O-] ZINC000379237867 971620991 /nfs/dbraw/zinc/62/09/91/971620991.db2.gz UIKXUJMJXHLYSL-GXSJLCMTSA-N -1 0 322.317 -0.063 20 0 DBADRM CCCN1C[C@@H](C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1=O ZINC001589673586 949960195 /nfs/dbraw/zinc/96/01/95/949960195.db2.gz MLASHZGBIYMRFD-JTQLQIEISA-N -1 0 311.338 -1.000 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CCCO1 ZINC001595279968 949965387 /nfs/dbraw/zinc/96/53/87/949965387.db2.gz GLVLDGUWISBXNT-HQJQHLMTSA-N -1 0 324.255 -0.100 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C3CC(=O)C3)CC2)C1 ZINC001595279972 949965672 /nfs/dbraw/zinc/96/56/72/949965672.db2.gz GMPIRTOMBQXPIB-SNVBAGLBSA-N -1 0 308.334 -0.110 20 0 DBADRM CCCN1C[C@@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])CC1=O ZINC001589673757 949966403 /nfs/dbraw/zinc/96/64/03/949966403.db2.gz ULIJGIJCGJRDCC-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC001595282448 949981438 /nfs/dbraw/zinc/98/14/38/949981438.db2.gz JYIVPEVEGBGJQQ-XKSSXDPKSA-N -1 0 302.352 -0.468 20 0 DBADRM CCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001589675013 949986651 /nfs/dbraw/zinc/98/66/51/949986651.db2.gz LTPGGJIWCGQGRS-ONGXEEELSA-N -1 0 311.338 -0.019 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)C1 ZINC001595283285 949989204 /nfs/dbraw/zinc/98/92/04/949989204.db2.gz RSDBFFDCRXDVMR-BONVTDFDSA-N -1 0 323.349 -0.952 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001595284811 949997680 /nfs/dbraw/zinc/99/76/80/949997680.db2.gz FTQOXMIASUKBPY-ZJUUUORDSA-N -1 0 305.290 -0.754 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)Cc2ccccc21 ZINC001595292266 950079611 /nfs/dbraw/zinc/07/96/11/950079611.db2.gz MOVFRXIFAVCBDR-QWRGUYRKSA-N -1 0 317.301 -0.205 20 0 DBADRM C[C@@H](CNC(=O)[C@H](C)n1cncn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485296379 1013098297 /nfs/dbraw/zinc/09/82/97/1013098297.db2.gz PRAYFYHVTDMXAT-IUCAKERBSA-N -1 0 308.346 -0.701 20 0 DBADRM O=C([O-])[C@@]1(C(=O)NCCN2C(=O)CSC2=O)CCCO1 ZINC001595293104 950088925 /nfs/dbraw/zinc/08/89/25/950088925.db2.gz QLPKXTJFIXVBPO-NSHDSACASA-N -1 0 302.308 -0.568 20 0 DBADRM O=CN1CCCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001595295793 950132339 /nfs/dbraw/zinc/13/23/39/950132339.db2.gz FOFSAVNIBLNEBF-LLVKDONJSA-N -1 0 311.338 -1.000 20 0 DBADRM O=C([O-])C1(C(=O)N2CC[C@H](N3CCOC3=O)C2)CCOCC1 ZINC001595295858 950134671 /nfs/dbraw/zinc/13/46/71/950134671.db2.gz IDNJBMDPQPPNSY-JTQLQIEISA-N -1 0 312.322 -0.079 20 0 DBADRM CC(C)(C)CC[C@@H](CO)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001573842600 950152670 /nfs/dbraw/zinc/15/26/70/950152670.db2.gz IVEFTZQLRKRBQC-VIFPVBQESA-N -1 0 322.373 -0.238 20 0 DBADRM CCN(C(=O)C(=O)Nc1cc(N(C)C)ncn1)[C@H](C)C(=O)[O-] ZINC001589696994 950172984 /nfs/dbraw/zinc/17/29/84/950172984.db2.gz GODHXHSVOHJMJA-MRVPVSSYSA-N -1 0 309.326 -0.197 20 0 DBADRM CCCn1nccc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001589697469 950183796 /nfs/dbraw/zinc/18/37/96/950183796.db2.gz VIJPXXGVMNZPTC-LLVKDONJSA-N -1 0 301.368 -0.023 20 0 DBADRM CCN(C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)[C@@H](C)C(=O)[O-] ZINC001589698457 950202609 /nfs/dbraw/zinc/20/26/09/950202609.db2.gz QFRGGPDPFXAQBX-UWVGGRQHSA-N -1 0 315.370 -0.286 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001589713855 950355710 /nfs/dbraw/zinc/35/57/10/950355710.db2.gz QXOIOFKGCHYWHY-UHFFFAOYSA-N -1 0 321.333 -0.153 20 0 DBADRM CCN(C)C(=O)CN1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001589713968 950359318 /nfs/dbraw/zinc/35/93/18/950359318.db2.gz WQNUQSWISBUVMX-NSHDSACASA-N -1 0 311.382 -0.138 20 0 DBADRM CCN(C)C(=O)CN1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001589713967 950360399 /nfs/dbraw/zinc/36/03/99/950360399.db2.gz WQNUQSWISBUVMX-LLVKDONJSA-N -1 0 311.382 -0.138 20 0 DBADRM CCN(CC(=O)OC)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589718937 950390453 /nfs/dbraw/zinc/39/04/53/950390453.db2.gz RQAPWFAFZRBJOX-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM CCN(CCOCCO)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589734904 950525625 /nfs/dbraw/zinc/52/56/25/950525625.db2.gz QGLJNKISPHXQEJ-UHFFFAOYSA-N -1 0 312.322 -0.596 20 0 DBADRM CCN1CC[C@H](n2nnnc2N2CCC[C@H](C(=O)[O-])C2)C1=O ZINC001589741438 950602434 /nfs/dbraw/zinc/60/24/34/950602434.db2.gz PVPOKLSZXBMFES-UWVGGRQHSA-N -1 0 308.342 -0.233 20 0 DBADRM CN(C(=O)N[C@@H](CC(F)F)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000380134321 971679168 /nfs/dbraw/zinc/67/91/68/971679168.db2.gz TZVVHOWELNZHBG-RQJHMYQMSA-N -1 0 314.310 -0.077 20 0 DBADRM CCN1CCN(CC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(=O)C1=O ZINC001589744251 950646906 /nfs/dbraw/zinc/64/69/06/950646906.db2.gz LIYRRVGOTYXGGI-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM CCN1CCN(C(=O)[C@H](C)OC(=O)[C@H](OC)C(=O)[O-])CC1 ZINC001589744460 950656652 /nfs/dbraw/zinc/65/66/52/950656652.db2.gz RIBWLDRENOXCNK-VHSXEESVSA-N -1 0 302.327 -0.818 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001576214266 950664934 /nfs/dbraw/zinc/66/49/34/950664934.db2.gz OEKLGNOLCRSIOZ-BDAKNGLRSA-N -1 0 324.366 -0.347 20 0 DBADRM CCN1CC[C@H]2OCCN(CCS(=O)(=O)CC(=O)[O-])[C@H]2C1 ZINC001589881831 950685579 /nfs/dbraw/zinc/68/55/79/950685579.db2.gz CRSQEWHLFNCPDD-NWDGAFQWSA-N -1 0 320.411 -0.719 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589881936 950688024 /nfs/dbraw/zinc/68/80/24/950688024.db2.gz FCXQILLENLUDJT-SSDOTTSWSA-N -1 0 308.294 -0.641 20 0 DBADRM CCN1OC[C@H](n2cc(CN3CCC[C@@H]3C(=O)[O-])nn2)C1=O ZINC001589882113 950690646 /nfs/dbraw/zinc/69/06/46/950690646.db2.gz IRASBTNZEZGQJT-MNOVXSKESA-N -1 0 309.326 -0.338 20 0 DBADRM CCN1CCOC[C@H]1C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001589882350 950693689 /nfs/dbraw/zinc/69/36/89/950693689.db2.gz OAHYJUIVBNDDTO-SMDDNHRTSA-N -1 0 300.355 -0.343 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001589882629 950695731 /nfs/dbraw/zinc/69/57/31/950695731.db2.gz RZVQHOONAOCXKS-VIFPVBQESA-N -1 0 313.354 -0.802 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001589882628 950696060 /nfs/dbraw/zinc/69/60/60/950696060.db2.gz RZVQHOONAOCXKS-SECBINFHSA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@@H]1[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)CCS1(=O)=O ZINC000380284763 971688184 /nfs/dbraw/zinc/68/81/84/971688184.db2.gz CVFMNCAKQLHBDZ-RNFRBKRXSA-N -1 0 323.348 -0.168 20 0 DBADRM CCCN(CC(N)=O)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000312912124 950774766 /nfs/dbraw/zinc/77/47/66/950774766.db2.gz BKEPLCRCRVNELE-UHFFFAOYSA-N -1 0 307.372 -0.775 20 0 DBADRM CCOC(=O)[C@H](C)C1CN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001590058272 950776896 /nfs/dbraw/zinc/77/68/96/950776896.db2.gz MJDWKQWIOVFGKU-MRVPVSSYSA-N -1 0 310.310 -0.366 20 0 DBADRM CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)COCC(=O)[O-] ZINC001590129748 950803807 /nfs/dbraw/zinc/80/38/07/950803807.db2.gz OTIDGJGPRWGEMD-LLVKDONJSA-N -1 0 310.306 -0.227 20 0 DBADRM CCOC(=O)C1(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)CCC1 ZINC001590137578 950822593 /nfs/dbraw/zinc/82/25/93/950822593.db2.gz JNVMYVBKDNHPII-VIFPVBQESA-N -1 0 313.306 -0.052 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000314960562 950831737 /nfs/dbraw/zinc/83/17/37/950831737.db2.gz OTPBWGGYBFKLEC-GFCCVEGCSA-N -1 0 322.383 -0.446 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCCS(N)(=O)=O)CC[C@H]1C(=O)[O-] ZINC000315281902 950842477 /nfs/dbraw/zinc/84/24/77/950842477.db2.gz VYCIIXNZHKDNDA-NXEZZACHSA-N -1 0 321.399 -0.193 20 0 DBADRM CCOC(=O)[C@]1(COC)CCCN(C(=O)[C@H](OC)C(=O)[O-])C1 ZINC001590177498 950844148 /nfs/dbraw/zinc/84/41/48/950844148.db2.gz JZIQWOSMMAHDQL-IINYFYTJSA-N -1 0 317.338 -0.096 20 0 DBADRM CCOC(=O)[C@]1(COC)CCCN(C(=O)[C@@H](OC)C(=O)[O-])C1 ZINC001590177499 950844585 /nfs/dbraw/zinc/84/45/85/950844585.db2.gz JZIQWOSMMAHDQL-QMTHXVAHSA-N -1 0 317.338 -0.096 20 0 DBADRM CCOC(=O)[C@@]1(CNC(=O)[C@@](C)(OC)C(=O)[O-])CCCOC1 ZINC001590179005 950861753 /nfs/dbraw/zinc/86/17/53/950861753.db2.gz WEALLNUZNAVRAM-ZIAGYGMSSA-N -1 0 317.338 -0.048 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])CCC1 ZINC001590180290 950877250 /nfs/dbraw/zinc/87/72/50/950877250.db2.gz YDKTYXMTIFSULX-SNVBAGLBSA-N -1 0 309.340 -0.773 20 0 DBADRM CC1(C)C[C@@H](O)CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001575639926 950879514 /nfs/dbraw/zinc/87/95/14/950879514.db2.gz DUZJUPIXMBOAFN-VIFPVBQESA-N -1 0 320.357 -0.532 20 0 DBADRM CN(CCOCCO)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000380436966 971699105 /nfs/dbraw/zinc/69/91/05/971699105.db2.gz NBROBWSUYRTVGH-UHFFFAOYSA-N -1 0 306.340 -0.647 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000317114661 950900261 /nfs/dbraw/zinc/90/02/61/950900261.db2.gz ZFXYVCATDUBBIH-LLVKDONJSA-N -1 0 313.354 -0.212 20 0 DBADRM CC(C)(C)n1cc(Cn2cnc(-c3nnn[n-]3)cc2=O)nn1 ZINC001573894126 950924757 /nfs/dbraw/zinc/92/47/57/950924757.db2.gz MYJZVIMKYACQLM-UHFFFAOYSA-N -1 0 301.314 -0.182 20 0 DBADRM O=C([O-])CC1(NC(=O)C2=C3CCCN=C3NN2)CCOCC1 ZINC001594983670 951000033 /nfs/dbraw/zinc/00/00/33/951000033.db2.gz YTIMBVOHUBDDLB-UHFFFAOYSA-N -1 0 308.338 -0.319 20 0 DBADRM O=C([O-])C[C@@H]1CCCCN1C(=O)Cn1ncn2nccc2c1=O ZINC001594984394 951008590 /nfs/dbraw/zinc/00/85/90/951008590.db2.gz SXTNIXSJJDLYIX-JTQLQIEISA-N -1 0 319.321 -0.253 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001590958697 951030848 /nfs/dbraw/zinc/03/08/48/951030848.db2.gz UKEGKQFLTFZLLU-UTLUCORTSA-N -1 0 313.306 -0.196 20 0 DBADRM CCOC(=O)c1nc[nH]c1CNC(=O)c1cc(C(=O)[O-])nn1C ZINC001591005501 951034991 /nfs/dbraw/zinc/03/49/91/951034991.db2.gz CMOHLVSOEGFYCF-UHFFFAOYSA-N -1 0 321.293 -0.052 20 0 DBADRM CCOC(=O)c1nc[nH]c1CNC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001591006070 951040495 /nfs/dbraw/zinc/04/04/95/951040495.db2.gz QTORUMBKNHXFRJ-UHFFFAOYSA-N -1 0 307.266 -0.062 20 0 DBADRM O=C([O-])CCC(=O)N1CC[C@H](OCCN2CCOCC2)C1 ZINC001594996343 951083588 /nfs/dbraw/zinc/08/35/88/951083588.db2.gz XFNTWVYZIVTJGD-LBPRGKRZSA-N -1 0 300.355 -0.199 20 0 DBADRM O=C([O-])CCC(=O)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC001594996342 951084196 /nfs/dbraw/zinc/08/41/96/951084196.db2.gz XFNTWVYZIVTJGD-GFCCVEGCSA-N -1 0 300.355 -0.199 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)NCC(=O)N2CCCO2)CO1 ZINC001595000760 951121325 /nfs/dbraw/zinc/12/13/25/951121325.db2.gz GLHTYCPOMINVBT-ZJUUUORDSA-N -1 0 300.311 -0.464 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)NCCNC(=O)c2ccn[nH]2)CO1 ZINC001595002559 951151805 /nfs/dbraw/zinc/15/18/05/951151805.db2.gz VZEDRQZDTXVILR-ZJUUUORDSA-N -1 0 324.337 -0.474 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)N2CCS(=O)(=O)CC2)CO1 ZINC001595004163 951175528 /nfs/dbraw/zinc/17/55/28/951175528.db2.gz PSBIQZGYTLVZQM-ZJUUUORDSA-N -1 0 305.352 -0.487 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@@H]1C(=O)[O-] ZINC000380120912 951180790 /nfs/dbraw/zinc/18/07/90/951180790.db2.gz QUSCCQNPGKJSNH-UTLUCORTSA-N -1 0 304.368 -0.074 20 0 DBADRM CCOC1CC(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1 ZINC001591739534 951181859 /nfs/dbraw/zinc/18/18/59/951181859.db2.gz UEIIOJFGUIOSFS-ILDUYXDCSA-N -1 0 319.379 -0.098 20 0 DBADRM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001591739637 951183456 /nfs/dbraw/zinc/18/34/56/951183456.db2.gz YGROKOIVYWVZIS-FBKDDSFISA-N -1 0 301.339 -0.014 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001591877603 951234534 /nfs/dbraw/zinc/23/45/34/951234534.db2.gz PUQDNUJSPSXPFT-RKDXNWHRSA-N -1 0 302.283 -0.748 20 0 DBADRM CCOCCN1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001591878705 951241431 /nfs/dbraw/zinc/24/14/31/951241431.db2.gz XFCNVVJAUANDBD-CQSZACIVSA-N -1 0 300.355 -0.199 20 0 DBADRM CCOCCOCCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001591926722 951247040 /nfs/dbraw/zinc/24/70/40/951247040.db2.gz TWRZYCPDYRETTA-JTQLQIEISA-N -1 0 310.372 -0.577 20 0 DBADRM CCOCCONC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001591976492 951248632 /nfs/dbraw/zinc/24/86/32/951248632.db2.gz BKWDCZPDBIBLMY-SNVBAGLBSA-N -1 0 317.342 -0.281 20 0 DBADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](CO)C2)C1 ZINC001595012485 951262237 /nfs/dbraw/zinc/26/22/37/951262237.db2.gz IUHFVHAWIYOQNQ-RYUDHWBXSA-N -1 0 312.366 -0.069 20 0 DBADRM C[C@@H]1[C@H](O)CCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000384770661 951271563 /nfs/dbraw/zinc/27/15/63/951271563.db2.gz RQYOTSNUFCDOJO-MWLCHTKSSA-N -1 0 306.384 -0.127 20 0 DBADRM COCC[C@@H](COC)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000387025744 951309355 /nfs/dbraw/zinc/30/93/55/951309355.db2.gz ZRTBZOJGSUUSIU-NSHDSACASA-N -1 0 324.399 -0.331 20 0 DBADRM COCCn1nc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])ccc1=O ZINC000387472561 951317413 /nfs/dbraw/zinc/31/74/13/951317413.db2.gz UHKHTKBMHPVACN-VHSXEESVSA-N -1 0 309.322 -0.127 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000387486181 951317858 /nfs/dbraw/zinc/31/78/58/951317858.db2.gz QTHJFYRAXJRACC-UHFFFAOYSA-N -1 0 321.399 -0.324 20 0 DBADRM C[C@@H](CNC(=O)CCc1ccnn1C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485309915 1013109769 /nfs/dbraw/zinc/10/97/69/1013109769.db2.gz QKYRYTBGGQJVCY-JTQLQIEISA-N -1 0 321.385 -0.187 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC001595041319 951426147 /nfs/dbraw/zinc/42/61/47/951426147.db2.gz ZVIFIMQVFCUCPY-JTQLQIEISA-N -1 0 318.395 -0.316 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCCNC(=O)C(C)C)C1 ZINC000392984678 951428424 /nfs/dbraw/zinc/42/84/24/951428424.db2.gz GIDQREQMXWYQRV-AWEZNQCLSA-N -1 0 315.370 -0.109 20 0 DBADRM Cn1cc(Br)c(CNC(=O)COCC(=O)[O-])n1 ZINC000393257441 951431076 /nfs/dbraw/zinc/43/10/76/951431076.db2.gz GYMSCLCTODOQSI-UHFFFAOYSA-N -1 0 306.116 -0.100 20 0 DBADRM C[S@@](=O)C1(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CCC1 ZINC000393781577 951440331 /nfs/dbraw/zinc/44/03/31/951440331.db2.gz UKHHYXZIGFXBOU-GSDQLPOLSA-N -1 0 304.368 -0.217 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC(C2OCCO2)CC1 ZINC001595048195 951450546 /nfs/dbraw/zinc/45/05/46/951450546.db2.gz BCNZWCDCHGAYDM-UHFFFAOYSA-N -1 0 314.338 -0.421 20 0 DBADRM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1cn(CC(=O)[O-])nn1 ZINC000394293220 951451008 /nfs/dbraw/zinc/45/10/08/951451008.db2.gz PPGLJIRIWFXPCF-BDPUXZDNSA-N -1 0 306.322 -0.142 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC000394299551 951451023 /nfs/dbraw/zinc/45/10/23/951451023.db2.gz SSZHNLNAZHGELH-VXNVDRBHSA-N -1 0 304.324 -0.749 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001595048503 951455465 /nfs/dbraw/zinc/45/54/65/951455465.db2.gz OMMPERYVAJZZEH-UHFFFAOYSA-N -1 0 311.338 -0.952 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000396751918 951487517 /nfs/dbraw/zinc/48/75/17/951487517.db2.gz XLYWQJIXDUMCJA-VIFPVBQESA-N -1 0 323.305 -0.847 20 0 DBADRM NS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)[O-])CC1 ZINC000396778251 951487903 /nfs/dbraw/zinc/48/79/03/951487903.db2.gz ZOPQIIAOKRYKNE-UHFFFAOYSA-N -1 0 313.335 -0.933 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCC(Cn2cncn2)CC1 ZINC001595055889 951497504 /nfs/dbraw/zinc/49/75/04/951497504.db2.gz KUCMHLCAKKTSFL-UHFFFAOYSA-N -1 0 309.326 -0.892 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC001595056204 951502862 /nfs/dbraw/zinc/50/28/62/951502862.db2.gz SOSGLCHCUDFSKV-UHFFFAOYSA-N -1 0 311.338 -0.952 20 0 DBADRM CN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000397442030 951557439 /nfs/dbraw/zinc/55/74/39/951557439.db2.gz WLWWHXLGQNUCBZ-OPRDCNLKSA-N -1 0 304.368 -0.411 20 0 DBADRM CN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000397442026 951557646 /nfs/dbraw/zinc/55/76/46/951557646.db2.gz WLWWHXLGQNUCBZ-IVZWLZJFSA-N -1 0 304.368 -0.411 20 0 DBADRM CC(C)C[C@H](CNC(=O)NC[C@@H](C)S(N)(=O)=O)C(=O)[O-] ZINC000398319215 951588347 /nfs/dbraw/zinc/58/83/47/951588347.db2.gz HIKLZTLHFWZSJD-RKDXNWHRSA-N -1 0 309.388 -0.291 20 0 DBADRM CC(C)C[C@@H](CNC(=O)NC[C@H](C)S(N)(=O)=O)C(=O)[O-] ZINC000398319212 951588597 /nfs/dbraw/zinc/58/85/97/951588597.db2.gz HIKLZTLHFWZSJD-IUCAKERBSA-N -1 0 309.388 -0.291 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CC(=O)N(Cc3ccccc3)C2)C1=O ZINC001595072108 951603911 /nfs/dbraw/zinc/60/39/11/951603911.db2.gz MSWXCNSQIGVZRT-CYBMUJFWSA-N -1 0 317.345 -0.026 20 0 DBADRM O=C([O-])CN(CC1CC1)C(=S)NCCN1CCOCC1 ZINC001595072375 951607175 /nfs/dbraw/zinc/60/71/75/951607175.db2.gz RJAKZLJYBQWYJD-UHFFFAOYSA-N -1 0 301.412 -0.010 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCCS(N)(=O)=O)C1 ZINC000398775994 951608578 /nfs/dbraw/zinc/60/85/78/951608578.db2.gz DYBRTXWGOFUCOI-RKDXNWHRSA-N -1 0 307.372 -0.583 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCN(c3cccnn3)CC2)C1=O ZINC001595073566 951614235 /nfs/dbraw/zinc/61/42/35/951614235.db2.gz AFBUCSKSMYSUOR-NSHDSACASA-N -1 0 305.338 -0.716 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)C1=O ZINC001595073599 951614298 /nfs/dbraw/zinc/61/42/98/951614298.db2.gz BLGLXECOVWAPRW-OUAUKWLOSA-N -1 0 316.379 -0.677 20 0 DBADRM O=C([O-])CN1CC[C@@H]([N@@H+]2CCC[C@H](N3CCOCC3)C2)C1=O ZINC001595073774 951618117 /nfs/dbraw/zinc/61/81/17/951618117.db2.gz HSELSSGEOVAHPT-QWHCGFSZSA-N -1 0 311.382 -0.532 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)C1 ZINC000398994652 951626134 /nfs/dbraw/zinc/62/61/34/951626134.db2.gz JMUJXRWBJGKNCC-OPRDCNLKSA-N -1 0 311.338 -0.114 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N[C@H]2CCC(=O)N(C)C2=O)C1 ZINC000398994650 951626808 /nfs/dbraw/zinc/62/68/08/951626808.db2.gz JMUJXRWBJGKNCC-BBBLOLIVSA-N -1 0 311.338 -0.114 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC000400107729 951644136 /nfs/dbraw/zinc/64/41/36/951644136.db2.gz DKEPHSHWYHTABE-AEJSXWLSSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H](CN(C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400127532 951644316 /nfs/dbraw/zinc/64/43/16/951644316.db2.gz OXSOVLPBUUUSEC-UWVGGRQHSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000400136728 951644633 /nfs/dbraw/zinc/64/46/33/951644633.db2.gz UCWBGILMKBNITB-DTWKUNHWSA-N -1 0 307.372 -0.427 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)c2cnn3c2OCCC3)C1=O ZINC001595080693 951674614 /nfs/dbraw/zinc/67/46/14/951674614.db2.gz AWIQCQFUBYLWCF-SECBINFHSA-N -1 0 309.278 -0.492 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCCO[C@H]2CCOC2)C1=O ZINC001595081445 951683049 /nfs/dbraw/zinc/68/30/49/951683049.db2.gz AAJIMWNQBKISJF-QWRGUYRKSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCCC2(CO)CCC2)C1=O ZINC001595081611 951685519 /nfs/dbraw/zinc/68/55/19/951685519.db2.gz BVGINLBRJWEFLY-NSHDSACASA-N -1 0 312.366 -0.022 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@@H]2CCNC(=O)CC2)C1=O ZINC001595081640 951686505 /nfs/dbraw/zinc/68/65/05/951686505.db2.gz BOJMSVLJZOBXSC-UWVGGRQHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)C(F)(F)C2(O)CCC2)C1=O ZINC001595081810 951688368 /nfs/dbraw/zinc/68/83/68/951688368.db2.gz XXMVLUQXCDBIAB-ZETCQYMHSA-N -1 0 307.249 -0.235 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)C[C@@H]2C=CS(=O)(=O)C2)C1=O ZINC001595082176 951692933 /nfs/dbraw/zinc/69/29/33/951692933.db2.gz ZNQNJCFEABZZJW-IUCAKERBSA-N -1 0 317.319 -0.837 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@@H]2C[C@@H](O)C23CCC3)C1=O ZINC001595082919 951704066 /nfs/dbraw/zinc/70/40/66/951704066.db2.gz HXFYURXQYAFSRL-GMTAPVOTSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@@H]2CCC[C@H](CO)C2)C1=O ZINC001595084013 951713790 /nfs/dbraw/zinc/71/37/90/951713790.db2.gz NRNBIMTYBGSLEB-QJPTWQEYSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC[C@@](F)(CO)C2)C1=O ZINC001595087368 951745527 /nfs/dbraw/zinc/74/55/27/951745527.db2.gz SSCXCCGAIUKUFP-RNCFNFMXSA-N -1 0 302.302 -0.758 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC(F)(F)C[C@@H]2CO)C1=O ZINC001595087764 951750260 /nfs/dbraw/zinc/75/02/60/951750260.db2.gz XWWMXKKRBKGTSB-RKDXNWHRSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)O[C@H]2CCN(C3CC3)C2=O)C1=O ZINC001595087745 951750702 /nfs/dbraw/zinc/75/07/02/951750702.db2.gz RTXZDKDETAGAPK-MNOVXSKESA-N -1 0 324.333 -0.384 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NCCCCO)C1=O ZINC001595090744 951771184 /nfs/dbraw/zinc/77/11/84/951771184.db2.gz JVGXANYJSZPVFO-SNVBAGLBSA-N -1 0 301.343 -0.476 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)N2CCCOCC2)C1=O ZINC001595090912 951772876 /nfs/dbraw/zinc/77/28/76/951772876.db2.gz LPCHOJSGNWVLNZ-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NC2CSC2)C1=O ZINC001595091482 951779117 /nfs/dbraw/zinc/77/91/17/951779117.db2.gz QVODZCFXPWLIQC-VIFPVBQESA-N -1 0 301.368 -0.133 20 0 DBADRM O=C([O-])CN1CCCC[C@H](N2C(=O)N[C@@H](C3CC3)C2=O)C1=O ZINC001595092514 951793901 /nfs/dbraw/zinc/79/39/01/951793901.db2.gz WADYZFIOZXHIAW-ONGXEEELSA-N -1 0 309.322 -0.218 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NCc2cccnn2)C1=O ZINC001595094231 951801781 /nfs/dbraw/zinc/80/17/81/951801781.db2.gz PUYVHYMOHYYEAB-NSHDSACASA-N -1 0 321.337 -0.259 20 0 DBADRM O=C([O-])CN1CCCC[C@H](OC(=O)Cn2ccccc2=O)C1=O ZINC001595095918 951814063 /nfs/dbraw/zinc/81/40/63/951814063.db2.gz BDVKGICXKFKKEE-NSHDSACASA-N -1 0 322.317 -0.143 20 0 DBADRM O=C([O-])CNC(=O)CN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001595097453 951832709 /nfs/dbraw/zinc/83/27/09/951832709.db2.gz IVMYPPLRRCTNPD-WFASDCNBSA-N -1 0 310.325 -0.013 20 0 DBADRM O=C([O-])CNC(=O)CN1CCS(=O)(=O)c2ccccc2C1 ZINC001595098429 951839594 /nfs/dbraw/zinc/83/95/94/951839594.db2.gz NUNFFMIPLNIZKN-UHFFFAOYSA-N -1 0 312.347 -0.523 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC001595098670 951843545 /nfs/dbraw/zinc/84/35/45/951843545.db2.gz HUKNSPWVBMBWBB-ZETCQYMHSA-N -1 0 312.244 -0.385 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC001595098865 951845208 /nfs/dbraw/zinc/84/52/08/951845208.db2.gz WMIKQKGJDRLECN-CQSZACIVSA-N -1 0 312.322 -0.573 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cccc(C(=O)NC2CC2)c1 ZINC001595100030 951850826 /nfs/dbraw/zinc/85/08/26/951850826.db2.gz MAYNAKSHNVYBLR-UHFFFAOYSA-N -1 0 320.301 -0.064 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(Cn2ccnn2)cc1 ZINC001595100357 951851712 /nfs/dbraw/zinc/85/17/12/951851712.db2.gz SVLOULQJSZZSPZ-UHFFFAOYSA-N -1 0 318.289 -0.316 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cc(-n2ccnn2)ccc1F ZINC001595100482 951852495 /nfs/dbraw/zinc/85/24/95/951852495.db2.gz YUFAYEDDILTHJV-UHFFFAOYSA-N -1 0 322.252 -0.236 20 0 DBADRM O=C([O-])COCC(=O)NCc1ccc(N2CCNC2=O)cc1 ZINC001595106980 951881226 /nfs/dbraw/zinc/88/12/26/951881226.db2.gz GDFSFQNYBXXSIT-UHFFFAOYSA-N -1 0 307.306 -0.066 20 0 DBADRM O=C([O-])COCC(=O)OC[C@@H]1CNC(c2ccccc2)=NO1 ZINC001595111259 951907831 /nfs/dbraw/zinc/90/78/31/951907831.db2.gz WAXMEDZJQOKZNQ-NSHDSACASA-N -1 0 308.290 -0.019 20 0 DBADRM O=C([O-])COCCNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC001595111946 951909637 /nfs/dbraw/zinc/90/96/37/951909637.db2.gz FDNQZRLNWJSQEC-SSDOTTSWSA-N -1 0 312.244 -0.243 20 0 DBADRM O=C([O-])COCCNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001595111965 951910087 /nfs/dbraw/zinc/91/00/87/951910087.db2.gz FTOUUXHUHPQSMN-BQBZGAKWSA-N -1 0 312.244 -0.482 20 0 DBADRM O=C([O-])COCCNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC001595111947 951910107 /nfs/dbraw/zinc/91/01/07/951910107.db2.gz FDNQZRLNWJSQEC-ZETCQYMHSA-N -1 0 312.244 -0.243 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCO[C@H](C2CCC2)C1 ZINC001595112509 951914116 /nfs/dbraw/zinc/91/41/16/951914116.db2.gz VZBGEALKGDAVDB-NSHDSACASA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])COCCOCCNC(=O)Cn1ncc2cccnc21 ZINC001595112660 951916219 /nfs/dbraw/zinc/91/62/19/951916219.db2.gz COFKRUUNZZLLGP-UHFFFAOYSA-N -1 0 322.321 -0.335 20 0 DBADRM O=C([O-])COCCOCCNC(=O)[C@H]1CCCC12OCCO2 ZINC001595113082 951921407 /nfs/dbraw/zinc/92/14/07/951921407.db2.gz WSKBIBBVLLCTMB-LLVKDONJSA-N -1 0 317.338 -0.236 20 0 DBADRM O=C([O-])COCCNC(=O)NCC1(O)Cc2ccccc2C1 ZINC001595113824 951930226 /nfs/dbraw/zinc/93/02/26/951930226.db2.gz OINLKLYARBKQMU-UHFFFAOYSA-N -1 0 308.334 -0.083 20 0 DBADRM O=C([O-])COCCNC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC001595113850 951931334 /nfs/dbraw/zinc/93/13/34/951931334.db2.gz PPLFBDXTIILFQK-GWCFXTLKSA-N -1 0 302.327 -0.275 20 0 DBADRM O=C([O-])COCCNC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC001595114021 951933296 /nfs/dbraw/zinc/93/32/96/951933296.db2.gz UXIFIJJWZNWMQF-UHFFFAOYSA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001595114206 951935202 /nfs/dbraw/zinc/93/52/02/951935202.db2.gz VORAEJJEYSJMNB-GRYCIOLGSA-N -1 0 316.354 -0.484 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC001595114259 951936009 /nfs/dbraw/zinc/93/60/09/951936009.db2.gz YBPHXGPTCIRRNQ-NWDGAFQWSA-N -1 0 318.370 -0.046 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NC[C@H]1CCC[C@H](O)C1 ZINC001595114260 951936074 /nfs/dbraw/zinc/93/60/74/951936074.db2.gz YBPHXGPTCIRRNQ-RYUDHWBXSA-N -1 0 318.370 -0.046 20 0 DBADRM O=C([O-])COCCOCCNC(=O)Nc1nnc2ccccn21 ZINC001595115201 951942086 /nfs/dbraw/zinc/94/20/86/951942086.db2.gz XGGBZKPNYDIXMJ-UHFFFAOYSA-N -1 0 323.309 -0.031 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N2CC3(C2)NC(=O)NC3=O)c1 ZINC001595120187 951970231 /nfs/dbraw/zinc/97/02/31/951970231.db2.gz PMCTVULDFMEDFE-UHFFFAOYSA-N -1 0 319.273 -0.816 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N2C[C@@H](CO)[C@H](CO)C2)c1 ZINC001595120581 951973579 /nfs/dbraw/zinc/97/35/79/951973579.db2.gz DZQBFENSHCSEMT-RYUDHWBXSA-N -1 0 309.318 -0.177 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCOC[C@@H]1C(F)(F)F ZINC001595123687 951990053 /nfs/dbraw/zinc/99/00/53/951990053.db2.gz AHIXWLYFHLJPEF-SSDOTTSWSA-N -1 0 305.274 -0.251 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCn1cnnc1 ZINC000381980745 971792910 /nfs/dbraw/zinc/79/29/10/971792910.db2.gz DSIDCRSFNXSYPW-UHFFFAOYSA-N -1 0 300.296 -0.144 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC001595123759 951991479 /nfs/dbraw/zinc/99/14/79/951991479.db2.gz BXARGXAVLKODRZ-VXNVDRBHSA-N -1 0 319.301 -0.127 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC2(CNC(=O)O2)CC1 ZINC001595124304 951998950 /nfs/dbraw/zinc/99/89/50/951998950.db2.gz PQLDSRVRPFBEGN-UHFFFAOYSA-N -1 0 306.340 -0.940 20 0 DBADRM O=C([O-])CS(=O)(=O)CCNCc1cnc2n1CCCC2 ZINC001595125002 952006525 /nfs/dbraw/zinc/00/65/25/952006525.db2.gz JJKRTAXGNQUYLJ-UHFFFAOYSA-N -1 0 301.368 -0.192 20 0 DBADRM O=C([O-])CSCC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001595126060 952014156 /nfs/dbraw/zinc/01/41/56/952014156.db2.gz AKQSLKAKIAISMO-NSHDSACASA-N -1 0 323.392 -0.780 20 0 DBADRM C[C@H](C[S@@](C)=O)NS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000382027334 971796384 /nfs/dbraw/zinc/79/63/84/971796384.db2.gz QUMYQACGONJPQQ-LWESTGQBSA-N -1 0 306.365 -0.175 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@@H]2CCOC23CCOCC3)nn1 ZINC001595142110 952088120 /nfs/dbraw/zinc/08/81/20/952088120.db2.gz KHLSTBHVADQSEK-SNVBAGLBSA-N -1 0 310.310 -0.569 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@H]2COc3ccccc3[C@H]2O)nn1 ZINC001595142374 952090479 /nfs/dbraw/zinc/09/04/79/952090479.db2.gz LSONBJMAGRATQU-GXFFZTMASA-N -1 0 318.289 -0.413 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCC2(C3(O)CCOCC3)CC2)nn1 ZINC001595142458 952091247 /nfs/dbraw/zinc/09/12/47/952091247.db2.gz MXCVKHPLIJUFHC-UHFFFAOYSA-N -1 0 324.337 -0.586 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)nn1 ZINC001595142519 952092526 /nfs/dbraw/zinc/09/25/26/952092526.db2.gz MPXYJJKYQSNKIN-CBAPKCEASA-N -1 0 322.243 -0.110 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@@H]2CCN(CC(F)F)C2)nn1 ZINC001595142527 952092899 /nfs/dbraw/zinc/09/28/99/952092899.db2.gz ONHMOEOPPMSTNU-SSDOTTSWSA-N -1 0 303.269 -0.568 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC(N3CCOC3=O)CC2)nn1 ZINC001595142752 952093252 /nfs/dbraw/zinc/09/32/52/952093252.db2.gz OFBPNMXWYPAYHI-UHFFFAOYSA-N -1 0 323.309 -0.581 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC[C@@H](N3CCOC3=O)C2)nn1 ZINC001595143154 952097793 /nfs/dbraw/zinc/09/77/93/952097793.db2.gz VMDLTSUQUNSPKI-MRVPVSSYSA-N -1 0 309.282 -0.971 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC(N3CCOCC3)CC2)nn1 ZINC001595143229 952098469 /nfs/dbraw/zinc/09/84/69/952098469.db2.gz XFGAGGUEDBHCCH-UHFFFAOYSA-N -1 0 323.353 -0.701 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCCc2nccn2C(F)F)nn1 ZINC001595143421 952100516 /nfs/dbraw/zinc/10/05/16/952100516.db2.gz DGRQSTHBAGNADX-UHFFFAOYSA-N -1 0 314.252 -0.073 20 0 DBADRM O=C([O-])Cn1cc(COC(=O)c2cnc3n2CCOC3)nn1 ZINC001595146039 952113976 /nfs/dbraw/zinc/11/39/76/952113976.db2.gz VXBNBIITQBVUFQ-UHFFFAOYSA-N -1 0 307.266 -0.554 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)c2cnc3n[nH]nc3c2)nn1 ZINC001595146871 952118902 /nfs/dbraw/zinc/11/89/02/952118902.db2.gz WBXAYIRLDAKPRZ-UHFFFAOYSA-N -1 0 317.265 -0.572 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@@H]2CO[C@H](C3CC3)C2)n1 ZINC001595147486 952120410 /nfs/dbraw/zinc/12/04/10/952120410.db2.gz DVPNUMJWLODFTJ-UWVGGRQHSA-N -1 0 322.321 -0.410 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)n1 ZINC001595148440 952127542 /nfs/dbraw/zinc/12/75/42/952127542.db2.gz RFTMTZDSGNQARJ-NXEZZACHSA-N -1 0 322.321 -0.599 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)C[C@@H]2CCCS2(=O)=O)cn1 ZINC001595148613 952128654 /nfs/dbraw/zinc/12/86/54/952128654.db2.gz QZYJXDBGGBYXKC-VIFPVBQESA-N -1 0 301.324 -0.127 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N2CCCSCC2)n1 ZINC001595148603 952128667 /nfs/dbraw/zinc/12/86/67/952128667.db2.gz RYWHSAVQVQXUHP-UHFFFAOYSA-N -1 0 312.351 -0.128 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCCc2nccs2)n1 ZINC001595151085 952132252 /nfs/dbraw/zinc/13/22/52/952132252.db2.gz DGCORDRUWPYZBP-UHFFFAOYSA-N -1 0 323.334 -0.278 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)n1 ZINC001595151247 952133234 /nfs/dbraw/zinc/13/32/34/952133234.db2.gz JRJAPQXZYGHQDU-VHSXEESVSA-N -1 0 324.337 -0.427 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CC[C@@]3(CNC(=O)C3)C2)n1 ZINC001595152072 952142199 /nfs/dbraw/zinc/14/21/99/952142199.db2.gz KDGYWHXRWUAZCR-CYBMUJFWSA-N -1 0 307.310 -0.288 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@H](CO)CC(F)F)c1=O ZINC001595154425 952156946 /nfs/dbraw/zinc/15/69/46/952156946.db2.gz MFMVHWNCHCRXEG-ZETCQYMHSA-N -1 0 304.249 -0.321 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@H](CO)CC(F)F)c1=O ZINC001595154423 952157367 /nfs/dbraw/zinc/15/73/67/952157367.db2.gz MFMVHWNCHCRXEG-SSDOTTSWSA-N -1 0 304.249 -0.321 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCC3(CC2)OCCO3)c1=O ZINC001595155273 952162275 /nfs/dbraw/zinc/16/22/75/952162275.db2.gz VEFUCMWCPJVJDK-UHFFFAOYSA-N -1 0 322.317 -0.088 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@H]2Cc3cncn3C2)c1=O ZINC001595155789 952166687 /nfs/dbraw/zinc/16/66/87/952166687.db2.gz XJGFQDFSCGMAJM-VIFPVBQESA-N -1 0 302.290 -0.516 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@H]2Cc3cncn3C2)c1=O ZINC001595155788 952166726 /nfs/dbraw/zinc/16/67/26/952166726.db2.gz XJGFQDFSCGMAJM-SECBINFHSA-N -1 0 302.290 -0.516 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)O[C@@H]2CCN(C3CC3)C2=O)c1=O ZINC001595158183 952177836 /nfs/dbraw/zinc/17/78/36/952177836.db2.gz GBOILTMCMSYONF-LLVKDONJSA-N -1 0 320.301 -0.147 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC2(C1)CCOCC2 ZINC001595168363 952214020 /nfs/dbraw/zinc/21/40/20/952214020.db2.gz HBQQAPYCQWPVQD-JTQLQIEISA-N -1 0 304.368 -0.107 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H](C2OCCO2)C1 ZINC001595168432 952214842 /nfs/dbraw/zinc/21/48/42/952214842.db2.gz NLQPCIDUJDUAGO-ZJUUUORDSA-N -1 0 320.367 -0.525 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCN1CCCOCC1 ZINC001595169101 952216938 /nfs/dbraw/zinc/21/69/38/952216938.db2.gz IRSQZFXHSPEDDS-NSHDSACASA-N -1 0 321.399 -0.908 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCCN1CCOCC1 ZINC001595169230 952218803 /nfs/dbraw/zinc/21/88/03/952218803.db2.gz KYUMPSJVZGZHLO-NSHDSACASA-N -1 0 321.399 -0.908 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC001595173278 952228086 /nfs/dbraw/zinc/22/80/86/952228086.db2.gz VHZMZLXSUKXSLZ-VLEAKVRGSA-N -1 0 317.363 -0.488 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1CCO ZINC001595179269 952246030 /nfs/dbraw/zinc/24/60/30/952246030.db2.gz MIRYXEUCRWNLOW-IVZWLZJFSA-N -1 0 305.352 -0.895 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001595196733 952301320 /nfs/dbraw/zinc/30/13/20/952301320.db2.gz UVIISITULZYGFG-QMMMGPOBSA-N -1 0 320.309 -0.576 20 0 DBADRM O=C([O-])[C@H]1CCCN(c2nnnn2CCO[C@H]2CCOC2)C1 ZINC001595198035 952306001 /nfs/dbraw/zinc/30/60/01/952306001.db2.gz BKXWHOJBCDEWQQ-QWRGUYRKSA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H](N3CCOCC3)C2)nn1 ZINC000382675705 971829739 /nfs/dbraw/zinc/82/97/39/971829739.db2.gz YQIPFJNTUSQMGV-NSHDSACASA-N -1 0 323.353 -0.701 20 0 DBADRM CC[C@@]1(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001485315233 1013114048 /nfs/dbraw/zinc/11/40/48/1013114048.db2.gz ZZZINKITYMKPJQ-YMTOWFKASA-N -1 0 324.385 -0.637 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)CCC1CCC1 ZINC000383527826 971874260 /nfs/dbraw/zinc/87/42/60/971874260.db2.gz AGLUDJZJHUXHDR-JTQLQIEISA-N -1 0 304.368 -0.219 20 0 DBADRM CCN(CCOCCO)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000383594788 971879082 /nfs/dbraw/zinc/87/90/82/971879082.db2.gz MHHSYAHAOVJRIS-UHFFFAOYSA-N -1 0 307.324 -0.003 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N(OC)[C@@H](C)C(=O)[O-])C1 ZINC001593353697 953351621 /nfs/dbraw/zinc/35/16/21/953351621.db2.gz CYSMVWYGNLKMDF-UWVGGRQHSA-N -1 0 322.383 -0.089 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)CCC1 ZINC001594738921 953360371 /nfs/dbraw/zinc/36/03/71/953360371.db2.gz HNQTUCSFZSUTRX-SYLNSOGPSA-N -1 0 314.363 -0.911 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CCOCCO)C1 ZINC001589265835 953369670 /nfs/dbraw/zinc/36/96/70/953369670.db2.gz LVDADZIVBMLLHS-QWRGUYRKSA-N -1 0 316.354 -0.977 20 0 DBADRM O=C([O-])C1(CNC(=O)N[C@H](CO)[C@@H]2CCOC2)CCOCC1 ZINC001594742678 953370715 /nfs/dbraw/zinc/37/07/15/953370715.db2.gz YEMFTKVWDYTLBE-GHMZBOCLSA-N -1 0 316.354 -0.436 20 0 DBADRM CC[S@@](=O)CCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001593460564 953371385 /nfs/dbraw/zinc/37/13/85/953371385.db2.gz LSSJIZNDPIOBCF-OAQYLSRUSA-N -1 0 318.395 -0.416 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])[C@H](C)O1 ZINC001589266787 953375240 /nfs/dbraw/zinc/37/52/40/953375240.db2.gz WQPMQENFOLBUPY-KATARQTJSA-N -1 0 305.352 -0.490 20 0 DBADRM O=C([O-])C1(CNC(=O)c2nc3ncccn3n2)CCOCC1 ZINC001594744311 953379075 /nfs/dbraw/zinc/37/90/75/953379075.db2.gz VQYDLHGPQAWMSS-UHFFFAOYSA-N -1 0 305.294 -0.265 20 0 DBADRM O=C([O-])C1(CNC(=O)NC[C@@]2(O)CCOC2)CCOCC1 ZINC001594745769 953385394 /nfs/dbraw/zinc/38/53/94/953385394.db2.gz HNJWKSDWRLSBSV-ZDUSSCGKSA-N -1 0 302.327 -0.682 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001589268802 953391250 /nfs/dbraw/zinc/39/12/50/953391250.db2.gz KASCAXKSHGGZLY-ZJUUUORDSA-N -1 0 309.322 -0.504 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NC[C@@H]2CC[C@H](O)C2)c1 ZINC001594748148 953399790 /nfs/dbraw/zinc/39/97/90/953399790.db2.gz HSSOWGVIGJISNP-KCJUWKMLSA-N -1 0 307.306 -0.005 20 0 DBADRM CC[C@@H](NC(=O)CNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC001593601420 953411413 /nfs/dbraw/zinc/41/14/13/953411413.db2.gz WZVLOMLWDXBCID-SECBINFHSA-N -1 0 301.324 -0.661 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589272106 953418705 /nfs/dbraw/zinc/41/87/05/953418705.db2.gz KIVMJBWMONCGQM-VWYCJHECSA-N -1 0 300.355 -0.311 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC2CCSCC2)CCO1 ZINC001594750806 953426961 /nfs/dbraw/zinc/42/69/61/953426961.db2.gz IVYYWMWXILNMSQ-SNVBAGLBSA-N -1 0 316.379 -0.442 20 0 DBADRM CC[C@@H](NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2)C(=O)[O-] ZINC001593605696 953433292 /nfs/dbraw/zinc/43/32/92/953433292.db2.gz KZWFRSNJRYBPBV-MRVPVSSYSA-N -1 0 316.339 -0.890 20 0 DBADRM O=C(NCC1CCS(=O)(=O)CC1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594751584 953444560 /nfs/dbraw/zinc/44/45/60/953444560.db2.gz VYOLQWIXEMIGMZ-MGCOHNPYSA-N -1 0 304.368 -0.026 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCN2CCNC(=O)C2)C1 ZINC001589274770 953455129 /nfs/dbraw/zinc/45/51/29/953455129.db2.gz XOMRJKWUBVWSNG-GHMZBOCLSA-N -1 0 312.370 -0.830 20 0 DBADRM O=C([O-])c1cc(C(=O)NCC[C@H]2CCCS2(=O)=O)[nH]n1 ZINC001594754522 953462918 /nfs/dbraw/zinc/46/29/18/953462918.db2.gz WNUOJDZTOKYMDM-SSDOTTSWSA-N -1 0 301.324 -0.195 20 0 DBADRM O=C([O-])c1cc(C(=O)NCC[C@@H]2CCCS2(=O)=O)[nH]n1 ZINC001594754523 953463105 /nfs/dbraw/zinc/46/31/05/953463105.db2.gz WNUOJDZTOKYMDM-ZETCQYMHSA-N -1 0 301.324 -0.195 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)NCCCn2ccnc2)C1 ZINC001594758643 953490393 /nfs/dbraw/zinc/49/03/93/953490393.db2.gz VTSAEAMODXBCRC-LLVKDONJSA-N -1 0 308.338 -0.287 20 0 DBADRM O=C(NCCO)C1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001594758890 953495811 /nfs/dbraw/zinc/49/58/11/953495811.db2.gz OMAJUKFKDDGKTJ-PHIMTYICSA-N -1 0 313.354 -0.620 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=S)NCCNS(C)(=O)=O)C1 ZINC001589280382 953497854 /nfs/dbraw/zinc/49/78/54/953497854.db2.gz YNILIADIPNEFHX-IUCAKERBSA-N -1 0 323.440 -0.547 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2cccc(O)c2)CCO1 ZINC001594763266 953520662 /nfs/dbraw/zinc/52/06/62/953520662.db2.gz UWZAHRWULGVPGA-GFCCVEGCSA-N -1 0 322.317 -0.637 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2nnc3c(=O)n(C)ccn23)C1 ZINC001589282445 953535146 /nfs/dbraw/zinc/53/51/46/953535146.db2.gz QTIFNGLPZNSFAC-ZJUUUORDSA-N -1 0 305.338 -0.029 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2nnc3c(=O)n(C)ccn23)C1 ZINC001589282444 953535506 /nfs/dbraw/zinc/53/55/06/953535506.db2.gz QTIFNGLPZNSFAC-VHSXEESVSA-N -1 0 305.338 -0.029 20 0 DBADRM CC[C@H]1C(=O)NCCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593625645 953547957 /nfs/dbraw/zinc/54/79/57/953547957.db2.gz LYRIIHRFAJPOIB-UWVGGRQHSA-N -1 0 319.383 -0.619 20 0 DBADRM O=C([O-])c1ccccc1CNC(=O)C(=O)N1CC=C[C@H]1CO ZINC001594773643 953578545 /nfs/dbraw/zinc/57/85/45/953578545.db2.gz OJMGZHQSCMODQQ-NSHDSACASA-N -1 0 304.302 -0.240 20 0 DBADRM O=C([O-])c1ccccc1CNC(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001594776684 953587087 /nfs/dbraw/zinc/58/70/87/953587087.db2.gz OQIVHTPSVXVHAA-GFCCVEGCSA-N -1 0 319.317 -0.136 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCc2cnn(CCF)c2)C1 ZINC001594776918 953591913 /nfs/dbraw/zinc/59/19/13/953591913.db2.gz HXXDLHRDYYQBFU-SNVBAGLBSA-N -1 0 312.301 -0.598 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCc2cn3ccccc3n2)C1 ZINC001594777112 953596298 /nfs/dbraw/zinc/59/62/98/953596298.db2.gz NRMPIRILQFDNCE-SNVBAGLBSA-N -1 0 316.317 -0.116 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2cn(CC(=O)[O-])nn2)CCS1(=O)=O ZINC001589291750 953608861 /nfs/dbraw/zinc/60/88/61/953608861.db2.gz RWNQHRFCLAWZDZ-YUMQZZPRSA-N -1 0 316.339 -0.942 20 0 DBADRM C[C@H]1C[C@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)c2ncnn21 ZINC001589291738 953608978 /nfs/dbraw/zinc/60/89/78/953608978.db2.gz RAWFRHUMLCDNHX-WPRPVWTQSA-N -1 0 317.305 -0.040 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)NCCOCCOCC(=O)[O-])[C@H](C)O1 ZINC001589293715 953624143 /nfs/dbraw/zinc/62/41/43/953624143.db2.gz RBFBSYNWLHMHPB-VWYCJHECSA-N -1 0 304.343 -0.031 20 0 DBADRM C[C@H]1C[C@H](n2nnnc2N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC001589293889 953625614 /nfs/dbraw/zinc/62/56/14/953625614.db2.gz AGOMMMIPUSIDMZ-ICUOPCATSA-N -1 0 323.353 -0.050 20 0 DBADRM C[C@@H]1C[C@@H](n2nnnc2N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC001589293892 953625708 /nfs/dbraw/zinc/62/57/08/953625708.db2.gz AGOMMMIPUSIDMZ-NJBDSQKTSA-N -1 0 323.353 -0.050 20 0 DBADRM C[C@H]1C[C@@H](c2nc(-c3cn(CC(=O)[O-])c(=O)[nH]c3=O)no2)CO1 ZINC001589294155 953628398 /nfs/dbraw/zinc/62/83/98/953628398.db2.gz FGXFWRQEWQHULI-NKWVEPMBSA-N -1 0 322.277 -0.024 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)c1ccccc1 ZINC001594784855 953657309 /nfs/dbraw/zinc/65/73/09/953657309.db2.gz BMKAOWMZAIGYFY-FVCCEPFGSA-N -1 0 307.302 -0.659 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)C1 ZINC001594785074 953660047 /nfs/dbraw/zinc/66/00/47/953660047.db2.gz JFCYSFJHFAGSMA-JQWIXIFHSA-N -1 0 324.308 -0.151 20 0 DBADRM CCc1ccnc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC001593642645 953662512 /nfs/dbraw/zinc/66/25/12/953662512.db2.gz RJWLNMQAHBNQKG-LBPRGKRZSA-N -1 0 321.333 -0.428 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2nc3ncc(CCO)cn3n2)C1 ZINC001594792589 953697417 /nfs/dbraw/zinc/69/74/17/953697417.db2.gz PMJKFKUIPHZTAL-ZJUUUORDSA-N -1 0 319.321 -0.358 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)C1 ZINC001594792685 953698534 /nfs/dbraw/zinc/69/85/34/953698534.db2.gz ZUYMWPOFWPRTQC-YTWAJWBKSA-N -1 0 306.322 -0.604 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCC(O)(C(F)F)CC1 ZINC001594794902 953707530 /nfs/dbraw/zinc/70/75/30/953707530.db2.gz HMWFWBYUPHRRCI-ZKCHVHJHSA-N -1 0 320.292 -0.416 20 0 DBADRM CCc1nnc([C@@H]2C[C@@H](O)CN2C(=O)[C@H]2CC(C(=O)[O-])=NO2)[nH]1 ZINC001593651260 953709654 /nfs/dbraw/zinc/70/96/54/953709654.db2.gz PKVCNMRREJZSSJ-BWVDBABLSA-N -1 0 323.309 -0.769 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001593654347 953736978 /nfs/dbraw/zinc/73/69/78/953736978.db2.gz BSENYWLTUJAKRC-SECBINFHSA-N -1 0 303.340 -0.543 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC001594801321 953738494 /nfs/dbraw/zinc/73/84/94/953738494.db2.gz CHTKSQAIVANNKW-SNVBAGLBSA-N -1 0 322.321 -0.115 20 0 DBADRM CCc1nocc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001593657201 953754198 /nfs/dbraw/zinc/75/41/98/953754198.db2.gz NNLVOYKFXOBFDT-VIFPVBQESA-N -1 0 302.308 -0.439 20 0 DBADRM CCn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001593660247 953791153 /nfs/dbraw/zinc/79/11/53/953791153.db2.gz JIBUWCFBEMNVSV-VWYCJHECSA-N -1 0 309.370 -0.054 20 0 DBADRM CCn1cc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)nn1 ZINC001593665093 953829084 /nfs/dbraw/zinc/82/90/84/953829084.db2.gz HTRZWQVZWZHICJ-VIFPVBQESA-N -1 0 309.326 -0.507 20 0 DBADRM CCn1ccc(CNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC001593666337 953853395 /nfs/dbraw/zinc/85/33/95/953853395.db2.gz QNCNGWIQDUEUKD-AWEZNQCLSA-N -1 0 308.338 -0.158 20 0 DBADRM CCn1cnc2c1CCN(C(=O)C(=O)NCCCC(=O)[O-])C2 ZINC001593669302 953866962 /nfs/dbraw/zinc/86/69/62/953866962.db2.gz FIDSBTSWDWSYMV-UHFFFAOYSA-N -1 0 308.338 -0.231 20 0 DBADRM CCn1nc(C)cc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001593670447 953877070 /nfs/dbraw/zinc/87/70/70/953877070.db2.gz WZUBWXQYRRIKSE-JTQLQIEISA-N -1 0 315.351 -0.465 20 0 DBADRM CCn1nc(C)c(C(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)n1 ZINC001593670724 953880042 /nfs/dbraw/zinc/88/00/42/953880042.db2.gz OROWPJUYLDZHTK-ZDUSSCGKSA-N -1 0 312.326 -0.451 20 0 DBADRM C[C@@H]1CCCN(C(=O)COC(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001589325145 953895968 /nfs/dbraw/zinc/89/59/68/953895968.db2.gz IXLUNPPIPBDBCB-SECBINFHSA-N -1 0 310.310 -0.222 20 0 DBADRM CN(C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)[C@H]1CCNC1=O ZINC001593674124 953900016 /nfs/dbraw/zinc/90/00/16/953900016.db2.gz KQCZULYSXCKZFE-VIFPVBQESA-N -1 0 311.338 -0.953 20 0 DBADRM CN(C(=O)C(=O)NCC1(C(=O)[O-])CCOCC1)[C@@H]1CCOC1 ZINC001593674715 953907837 /nfs/dbraw/zinc/90/78/37/953907837.db2.gz XRKHBRMEIVATIX-SNVBAGLBSA-N -1 0 314.338 -0.769 20 0 DBADRM CN(C(=O)C1(CC(=O)[O-])CCC1)N1CCS(=O)(=O)CC1 ZINC001593674881 953910547 /nfs/dbraw/zinc/91/05/47/953910547.db2.gz DGFKFIWRKQOFTN-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM O=C([O-])C(=O)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 ZINC001594823399 953926291 /nfs/dbraw/zinc/92/62/91/953926291.db2.gz MXEAVZPYGWQBJN-LURJTMIESA-N -1 0 320.348 -0.207 20 0 DBADRM CN(C(=O)[C@@]1(C(=O)[O-])CC1(C)C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001593676391 953931053 /nfs/dbraw/zinc/93/10/53/953931053.db2.gz NDDARNTUUPKOCM-TVQRCGJNSA-N -1 0 318.395 -0.020 20 0 DBADRM CN(C(=O)C(=O)Nc1cccc(C(=O)[O-])c1)[C@@H]1CCNC1=O ZINC001593676628 953935015 /nfs/dbraw/zinc/93/50/15/953935015.db2.gz RNHHCLZTNCFCKD-SNVBAGLBSA-N -1 0 305.290 -0.330 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CSCCS2)CC1 ZINC001594825717 953937876 /nfs/dbraw/zinc/93/78/76/953937876.db2.gz OTRQOJOBMSUOKQ-QMMMGPOBSA-N -1 0 304.393 -0.410 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cn2ncc3cccnc32)CC1 ZINC001594826627 953942628 /nfs/dbraw/zinc/94/26/28/953942628.db2.gz AJQDQRGUOOUALD-UHFFFAOYSA-N -1 0 317.305 -0.813 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 ZINC001594827013 953944868 /nfs/dbraw/zinc/94/48/68/953944868.db2.gz RYNKHAIRZUKNSP-NWDGAFQWSA-N -1 0 303.318 -0.060 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H]2C[C@@H](O)C2)C[C@@H]1C(=O)[O-] ZINC001589332221 953949419 /nfs/dbraw/zinc/94/94/19/953949419.db2.gz DFXAKPSUDNTDFB-WYUUTHIRSA-N -1 0 312.366 -0.215 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cn3ccnc3s2)CC1 ZINC001594828376 953957394 /nfs/dbraw/zinc/95/73/94/953957394.db2.gz ZOVQNESYVQAIIU-UHFFFAOYSA-N -1 0 308.319 -0.235 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)C[C@H]1C(=O)[O-] ZINC001589333095 953960516 /nfs/dbraw/zinc/96/05/16/953960516.db2.gz WUKLPELBKDYYRL-KIGUWFBYSA-N -1 0 310.350 -0.461 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@@]2(C(=O)[O-])CCCO2)O1 ZINC001593682356 953967926 /nfs/dbraw/zinc/96/79/26/953967926.db2.gz RHSQXAHTFNVHFV-ISTVAULSSA-N -1 0 314.338 -0.628 20 0 DBADRM CN(C)C(=O)C1(NC(=O)c2cn(CC(=O)[O-])nn2)CCCCC1 ZINC001593682417 953969436 /nfs/dbraw/zinc/96/94/36/953969436.db2.gz UIHVIQHPGJTBCN-UHFFFAOYSA-N -1 0 323.353 -0.116 20 0 DBADRM CN(C(=O)c1cc(C(=O)[O-])nn1C)[C@H]1CCS(=O)(=O)C1 ZINC001593682963 953972815 /nfs/dbraw/zinc/97/28/15/953972815.db2.gz QCJZEIFMVZJHNJ-ZETCQYMHSA-N -1 0 301.324 -0.623 20 0 DBADRM CN(C)C(=O)CCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593683825 953980493 /nfs/dbraw/zinc/98/04/93/953980493.db2.gz IYGNSQQCIBJNDL-HZMBPMFUSA-N -1 0 313.354 -0.403 20 0 DBADRM CN(C)C(=O)/C=C/C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593684191 953984240 /nfs/dbraw/zinc/98/42/40/953984240.db2.gz PYDDJJNOINSXDD-FGEFZZPRSA-N -1 0 311.338 -0.787 20 0 DBADRM C[C@@H]1CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C[C@H]1O ZINC001589335159 953986770 /nfs/dbraw/zinc/98/67/70/953986770.db2.gz CPZARUUBKNVVQV-NXEZZACHSA-N -1 0 319.379 -0.505 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001593686603 953992156 /nfs/dbraw/zinc/99/21/56/953992156.db2.gz BJEMYFJCFXXOFO-GHMZBOCLSA-N -1 0 312.370 -0.640 20 0 DBADRM CN(C)C(=O)NCCNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001593686967 953993459 /nfs/dbraw/zinc/99/34/59/953993459.db2.gz NNVMNDCTTQCPGN-UHFFFAOYSA-N -1 0 322.321 -0.289 20 0 DBADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001593687161 953995826 /nfs/dbraw/zinc/99/58/26/953995826.db2.gz NSZWZFNZSDKXRD-WCBMZHEXSA-N -1 0 312.326 -0.522 20 0 DBADRM CN(C)C(=O)N[C@H]1CCCN(CN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC001593687168 953996358 /nfs/dbraw/zinc/99/63/58/953996358.db2.gz OGFJPLYFZHXAQX-MNOVXSKESA-N -1 0 312.370 -0.387 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCC(C)(C(=O)[O-])CC2)nn1 ZINC001593687602 953999114 /nfs/dbraw/zinc/99/91/14/953999114.db2.gz VPKLGWDCZMJNAG-UHFFFAOYSA-N -1 0 323.353 -0.307 20 0 DBADRM CN(C)C(=O)O[C@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001593687764 954002143 /nfs/dbraw/zinc/00/21/43/954002143.db2.gz YENGKJPZJORHIP-WPRPVWTQSA-N -1 0 313.310 -0.095 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001593688276 954002760 /nfs/dbraw/zinc/00/27/60/954002760.db2.gz HEVXVOTXSBLHRU-UHFFFAOYSA-N -1 0 307.306 -0.795 20 0 DBADRM CN(C)C(=O)c1cc(NC(=O)c2cc(C(=O)[O-])nn2C)ccn1 ZINC001593688865 954011018 /nfs/dbraw/zinc/01/10/18/954011018.db2.gz WQSGYJWTCWLZHX-UHFFFAOYSA-N -1 0 317.305 -0.111 20 0 DBADRM O=C([O-])[C@@H](C(=O)NCCc1nnc2c(=O)[nH]ccn12)C1CC1 ZINC001594833947 954011300 /nfs/dbraw/zinc/01/13/00/954011300.db2.gz MNUKDIHUJNAFJU-SECBINFHSA-N -1 0 305.294 -0.813 20 0 DBADRM O=C([O-])[C@H](C(=O)NC[C@@]1(O)CCS(=O)(=O)C1)C1CCCC1 ZINC001594834368 954017265 /nfs/dbraw/zinc/01/72/65/954017265.db2.gz ZHTQICZLXGENRK-GWCFXTLKSA-N -1 0 319.379 -0.457 20 0 DBADRM C[NH+](C)C1(CS(=O)(=O)[N-]C(=O)CSCC(=O)[O-])CCC1 ZINC001593690279 954022463 /nfs/dbraw/zinc/02/24/63/954022463.db2.gz LEVXYJDCIHVXOI-UHFFFAOYSA-N -1 0 324.424 -0.266 20 0 DBADRM CN(C)[C@H](C(=O)Nc1ccn(CC(=O)[O-])n1)c1cncn1C ZINC001593690396 954024647 /nfs/dbraw/zinc/02/46/47/954024647.db2.gz ARJQCGBYXVIJHS-LBPRGKRZSA-N -1 0 306.326 -0.057 20 0 DBADRM CN(C)[C@H](C(=O)Nc1cnn(CC(=O)[O-])c1)c1cncn1C ZINC001593691645 954038969 /nfs/dbraw/zinc/03/89/69/954038969.db2.gz RVVQZNHPYPPPGB-LBPRGKRZSA-N -1 0 306.326 -0.057 20 0 DBADRM C[C@@H]1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@@H]1C(=O)[O-] ZINC001589352539 954088255 /nfs/dbraw/zinc/08/82/55/954088255.db2.gz CLNPUKVIGVPZCV-VWYCJHECSA-N -1 0 318.395 -0.668 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)CCN2CCOC2=O)C[C@@H]1C(=O)[O-] ZINC001589355611 954136018 /nfs/dbraw/zinc/13/60/18/954136018.db2.gz PFDGMEXWYSHPHQ-UWVGGRQHSA-N -1 0 320.367 -0.189 20 0 DBADRM CN(C)Cc1cc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)no1 ZINC001593702661 954139788 /nfs/dbraw/zinc/13/97/88/954139788.db2.gz YFLCXLCLZQTOOX-UHFFFAOYSA-N -1 0 310.310 -0.895 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593704343 954145887 /nfs/dbraw/zinc/14/58/87/954145887.db2.gz SCVKFGKAMGYFCC-UWVGGRQHSA-N -1 0 322.383 -0.736 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC(CO)CC2)CCS(=O)(=O)CC1 ZINC001594846213 954150060 /nfs/dbraw/zinc/15/00/60/954150060.db2.gz RKSQYHRMNQVNIM-UHFFFAOYSA-N -1 0 319.379 -0.503 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N(CCO)CCCO ZINC000385241028 971990204 /nfs/dbraw/zinc/99/02/04/971990204.db2.gz AFALLMFBDYLEKI-UHFFFAOYSA-N -1 0 303.336 -0.250 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001593708321 954159775 /nfs/dbraw/zinc/15/97/75/954159775.db2.gz RVZKFVDHALWFMV-UHFFFAOYSA-N -1 0 321.399 -0.562 20 0 DBADRM C[C@H]1CCN(c2nnc(CS(C)(=O)=O)n2C)C[C@H]1C(=O)[O-] ZINC001589362596 954161988 /nfs/dbraw/zinc/16/19/88/954161988.db2.gz QAUDKNWHMIBFBQ-DTWKUNHWSA-N -1 0 316.383 -0.093 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN(c3nccnn3)CC2)CCOCC1 ZINC001594849228 954167042 /nfs/dbraw/zinc/16/70/42/954167042.db2.gz NFRJFTOTKKTDMR-UHFFFAOYSA-N -1 0 321.337 -0.598 20 0 DBADRM CN(C)c1cc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])ccn1 ZINC001593709019 954171261 /nfs/dbraw/zinc/17/12/61/954171261.db2.gz DRGPUVOWIMLECO-NSHDSACASA-N -1 0 313.379 -0.169 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](O)[C@H]2C)CC[C@@H]1C(=O)[O-] ZINC001589364924 954182792 /nfs/dbraw/zinc/18/27/92/954182792.db2.gz DBSFTPWJTIPFDD-WHOHXGKFSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2nncn2C)CC[C@H]1C(=O)[O-] ZINC001589365177 954185117 /nfs/dbraw/zinc/18/51/17/954185117.db2.gz HUXVEQSKYFVPRL-VHSXEESVSA-N -1 0 323.353 -0.657 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](O)[C@H](F)C2)CC[C@@H]1C(=O)[O-] ZINC001589365605 954187834 /nfs/dbraw/zinc/18/78/34/954187834.db2.gz RCZKAEOYZDGYPV-YTWAJWBKSA-N -1 0 316.329 -0.513 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N(CCO)CCCO)ccc1F ZINC000385300761 971994090 /nfs/dbraw/zinc/99/40/90/971994090.db2.gz MGPSSVFGFZSJTP-UHFFFAOYSA-N -1 0 321.326 -0.111 20 0 DBADRM O=C([O-])[C@]1(C(=O)N[C@@H](CO)[C@@H](O)c2cccnc2)CCCO1 ZINC001594852333 954205258 /nfs/dbraw/zinc/20/52/58/954205258.db2.gz UCGYVUMTBPSIRV-COPLHBTASA-N -1 0 310.306 -0.774 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])[C@H](C)[C@@H](C)O1 ZINC001589367770 954208007 /nfs/dbraw/zinc/20/80/07/954208007.db2.gz ZLWLUBIRMXPSPN-OPRDCNLKSA-N -1 0 302.327 -0.772 20 0 DBADRM CN(C)c1ncc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)n1C ZINC001593715818 954218781 /nfs/dbraw/zinc/21/87/81/954218781.db2.gz ZBZVNDXZQXNBHX-SECBINFHSA-N -1 0 323.353 -0.965 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C(=O)[O-] ZINC001593716468 954222115 /nfs/dbraw/zinc/22/21/15/954222115.db2.gz NLPAHVQOFGRMDL-IRUJWGPZSA-N -1 0 310.354 -0.493 20 0 DBADRM C[C@@H]1CN(C(=O)C2(n3cnnn3)CCOCC2)CC[C@@H]1C(=O)[O-] ZINC001589373197 954224444 /nfs/dbraw/zinc/22/44/44/954224444.db2.gz CBNQJZBHRZKGOV-MNOVXSKESA-N -1 0 323.353 -0.252 20 0 DBADRM CN(CC(=O)N1CC(C(=O)[O-])C1)S(=O)(=O)c1cccnc1 ZINC001593716822 954229118 /nfs/dbraw/zinc/22/91/18/954229118.db2.gz LZGBDSWJXPVYLW-UHFFFAOYSA-N -1 0 313.335 -0.755 20 0 DBADRM CN(CC(=O)NCC(=O)[O-])C[C@H](O)COCc1ccccc1 ZINC001593718975 954237020 /nfs/dbraw/zinc/23/70/20/954237020.db2.gz FMFWQDLGILRLOJ-ZDUSSCGKSA-N -1 0 310.350 -0.303 20 0 DBADRM C[C@H]1CN(C(=O)C2(C(=O)[O-])CCOCC2)CCN1CCO ZINC001589375522 954250591 /nfs/dbraw/zinc/25/05/91/954250591.db2.gz QOPVNOIWCHWTPS-NSHDSACASA-N -1 0 300.355 -0.607 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)CC=CC1 ZINC001594857356 954251319 /nfs/dbraw/zinc/25/13/19/954251319.db2.gz YNEQTJDVLQOQJQ-LLVKDONJSA-N -1 0 303.336 -0.927 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CC[C@H]1C(=O)[O-] ZINC001589375726 954253394 /nfs/dbraw/zinc/25/33/94/954253394.db2.gz OJWQUJDDRJKFEE-GHMZBOCLSA-N -1 0 318.395 -0.714 20 0 DBADRM C[C@H]1CN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CCS(=O)(=O)C1 ZINC001589376033 954255876 /nfs/dbraw/zinc/25/58/76/954255876.db2.gz SOQDBYGDKVEYET-JOYOIKCWSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@H]2CCCCO2)CCS(=O)(=O)CC1 ZINC001594858691 954257773 /nfs/dbraw/zinc/25/77/73/954257773.db2.gz AYQXPXSMKVAAOJ-SNVBAGLBSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@H]2CCCOC2)CCS(=O)(=O)CC1 ZINC001594860061 954270573 /nfs/dbraw/zinc/27/05/73/954270573.db2.gz SRZSCTJMXRTJGP-SNVBAGLBSA-N -1 0 319.379 -0.191 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[C@H]1C(=O)[O-] ZINC001589377729 954278179 /nfs/dbraw/zinc/27/81/79/954278179.db2.gz SCXAIHGIKJFRPQ-NXEZZACHSA-N -1 0 319.321 -0.540 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001593727197 954286208 /nfs/dbraw/zinc/28/62/08/954286208.db2.gz AYHUHBVDMGUOIB-UHFFFAOYSA-N -1 0 307.306 -0.414 20 0 DBADRM C[C@@H]1CN(C(=O)NCc2cn(C)c(=O)[nH]c2=O)CC[C@H]1C(=O)[O-] ZINC001589382605 954288657 /nfs/dbraw/zinc/28/86/57/954288657.db2.gz HRZJGUVZNVBWEK-PSASIEDQSA-N -1 0 324.337 -0.262 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001593727478 954289840 /nfs/dbraw/zinc/28/98/40/954289840.db2.gz FNHXTBKJVZUMLC-LBPRGKRZSA-N -1 0 323.349 -0.455 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593729265 954306230 /nfs/dbraw/zinc/30/62/30/954306230.db2.gz VMKGGRZBWRYSTP-GUBZILKMSA-N -1 0 304.368 -0.074 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC001593729298 954308038 /nfs/dbraw/zinc/30/80/38/954308038.db2.gz VSPJUPKLUSIKLN-UHFFFAOYSA-N -1 0 322.383 -0.799 20 0 DBADRM O=C([O-])C1(C(=O)N[C@H]2C[C@H](CO)C2)CCS(=O)(=O)CC1 ZINC001594869502 954336982 /nfs/dbraw/zinc/33/69/82/954336982.db2.gz XMDMCZFJYKUZED-KYZUINATSA-N -1 0 305.352 -0.847 20 0 DBADRM C[C@@H]1OCC[C@]12CN([C@@H]1CCN(CC(=O)[O-])C1=O)C[C@@H](C)O2 ZINC001589395976 954371025 /nfs/dbraw/zinc/37/10/25/954371025.db2.gz PXHVYMHZZZHOFZ-ZAZJYDDPSA-N -1 0 312.366 -0.060 20 0 DBADRM CN(C)S(=O)(=O)C1(CNC(=O)N(C)CCCC(=O)[O-])CC1 ZINC001593744598 954375434 /nfs/dbraw/zinc/37/54/34/954375434.db2.gz YCLAJKUBJRMQRY-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM C[C@@H]1CN(CN2C[C@H](C(=O)[O-])CC2=O)C[C@@H](C)S1(=O)=O ZINC001589399338 954402075 /nfs/dbraw/zinc/40/20/75/954402075.db2.gz PLHMRFGUAFLAEJ-OPRDCNLKSA-N -1 0 304.368 -0.616 20 0 DBADRM C[C@@H]1CN(Cc2cc(C(=O)[O-])nn2C)CCS(=O)(=O)C1 ZINC001589399625 954405268 /nfs/dbraw/zinc/40/52/68/954405268.db2.gz RKUOXIWVGXCRPI-SECBINFHSA-N -1 0 301.368 -0.015 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001593750958 954408003 /nfs/dbraw/zinc/40/80/03/954408003.db2.gz MQNXTNWQCQWMBO-ZJUUUORDSA-N -1 0 322.383 -0.736 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)N2CCCOCC2)CCOCC1 ZINC001594880328 954423701 /nfs/dbraw/zinc/42/37/01/954423701.db2.gz UDVPCWGMGJTYSG-UHFFFAOYSA-N -1 0 322.383 -0.576 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)CCCN2CCOCC2)CCC1 ZINC001594880351 954424981 /nfs/dbraw/zinc/42/49/81/954424981.db2.gz ZAJDOGJWFLIUIL-UHFFFAOYSA-N -1 0 320.411 -0.117 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)c2c[nH]c3ncncc23)CCOC1 ZINC001594883017 954442897 /nfs/dbraw/zinc/44/28/97/954442897.db2.gz CPGNEGPBFVSSDY-LLVKDONJSA-N -1 0 312.307 -0.569 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)c2c[nH]c3ncncc23)CCOC1 ZINC001594883021 954443437 /nfs/dbraw/zinc/44/34/37/954443437.db2.gz CPGNEGPBFVSSDY-NSHDSACASA-N -1 0 312.307 -0.569 20 0 DBADRM CN(Cc1cc(C(=O)[O-])nn1C)C[C@H](O)CN1CCOCC1 ZINC001593755351 954447616 /nfs/dbraw/zinc/44/76/16/954447616.db2.gz GNUPRIOFYUCSMU-LBPRGKRZSA-N -1 0 312.370 -0.757 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)C1 ZINC001594884908 954454204 /nfs/dbraw/zinc/45/42/04/954454204.db2.gz AQHPROZTLDHMBL-ONGXEEELSA-N -1 0 323.309 -0.837 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)NCc1ccccc1C(=O)[O-] ZINC001593756022 954454874 /nfs/dbraw/zinc/45/48/74/954454874.db2.gz YNVFESMAKRCRGU-UHFFFAOYSA-N -1 0 315.351 -0.185 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCC(Cn3ccnn3)CC2)C1 ZINC001594885029 954455220 /nfs/dbraw/zinc/45/52/20/954455220.db2.gz CRHIQMOAUBZZCA-LLVKDONJSA-N -1 0 307.310 -0.254 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N(CCO)C2CCSCC2)C1 ZINC001594885808 954462016 /nfs/dbraw/zinc/46/20/16/954462016.db2.gz NBRQUAINAQAPBR-JTQLQIEISA-N -1 0 302.352 -0.068 20 0 DBADRM CN(C[C@H](O)CO)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001593757077 954465241 /nfs/dbraw/zinc/46/52/41/954465241.db2.gz RTMMSRLBQWXFGQ-QMMMGPOBSA-N -1 0 300.315 -0.480 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCC(N3CN=NC3=O)CC2)C1 ZINC001594886554 954470246 /nfs/dbraw/zinc/47/02/46/954470246.db2.gz ZPLXEVFDCYFWPS-SECBINFHSA-N -1 0 309.282 -0.623 20 0 DBADRM C[C@@H]1CSCCN1C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589408359 954486031 /nfs/dbraw/zinc/48/60/31/954486031.db2.gz FEEYHDJBNBOWLB-MRVPVSSYSA-N -1 0 312.351 -0.130 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@H](CO)Cc2ccc(O)cc2)C1 ZINC001594888890 954494295 /nfs/dbraw/zinc/49/42/95/954494295.db2.gz HLNQSFQYKIEYHW-CABZTGNLSA-N -1 0 308.290 -0.359 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001589409000 954498180 /nfs/dbraw/zinc/49/81/80/954498180.db2.gz QTUWIEWKEGISEJ-VWYCJHECSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001589408999 954498350 /nfs/dbraw/zinc/49/83/50/954498350.db2.gz QTUWIEWKEGISEJ-OUAUKWLOSA-N -1 0 319.379 -0.098 20 0 DBADRM CN(Cc1cnccn1)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001593764453 954501754 /nfs/dbraw/zinc/50/17/54/954501754.db2.gz LSQWTRAPLNDZGO-JTQLQIEISA-N -1 0 306.322 -0.242 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593764441 954501957 /nfs/dbraw/zinc/50/19/57/954501957.db2.gz LBDCEYMRDFTRBT-UHFFFAOYSA-N -1 0 304.306 -0.061 20 0 DBADRM CN(Cc1cnccn1)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593764606 954503418 /nfs/dbraw/zinc/50/34/18/954503418.db2.gz RCLBADLPIWAJJU-UHFFFAOYSA-N -1 0 318.293 -0.645 20 0 DBADRM CN(Cc1cscn1)C(=O)C(=O)NCCOCC(=O)[O-] ZINC001593765014 954508341 /nfs/dbraw/zinc/50/83/41/954508341.db2.gz LHTKXOVFEWQJQY-UHFFFAOYSA-N -1 0 301.324 -0.681 20 0 DBADRM CN(Cc1nccs1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001593765476 954514236 /nfs/dbraw/zinc/51/42/36/954514236.db2.gz QYAWEGFVJSOQTL-MRVPVSSYSA-N -1 0 313.335 -0.587 20 0 DBADRM CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593765617 954515692 /nfs/dbraw/zinc/51/56/92/954515692.db2.gz XZHNSEQAVSZGEE-OCAPTIKFSA-N -1 0 320.309 -0.578 20 0 DBADRM CN(Cc1ncnn1CC(F)F)CN1C[C@H](C(=O)[O-])CC1=O ZINC001593765604 954515757 /nfs/dbraw/zinc/51/57/57/954515757.db2.gz XKJBEMPYLMBNBN-MRVPVSSYSA-N -1 0 317.296 -0.134 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)NC[C@H](C(=O)[O-])C2CCC2)C1=O ZINC001593766987 954525593 /nfs/dbraw/zinc/52/55/93/954525593.db2.gz GDSIWASAJSEDMY-UWVGGRQHSA-N -1 0 311.338 -0.066 20 0 DBADRM COCC[C@H](NC(=O)c1ccc(=O)n(CCOC)n1)C(=O)[O-] ZINC000385900852 972020829 /nfs/dbraw/zinc/02/08/29/972020829.db2.gz RNZQXLPWYGRELV-JTQLQIEISA-N -1 0 313.310 -0.891 20 0 DBADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)C(C)(C)C(=O)[O-])C1=O ZINC001593771636 954541510 /nfs/dbraw/zinc/54/15/10/954541510.db2.gz FXMPHNFZALYJBH-XLKFXECMSA-N -1 0 311.338 -0.066 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NC2(CO)Cc3ccccc3C2)C1 ZINC001594892090 954542448 /nfs/dbraw/zinc/54/24/48/954542448.db2.gz PPMGIYUNLUISHM-GFCCVEGCSA-N -1 0 304.302 -0.138 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCCNC(=O)c2ccccc2F)C1 ZINC001594892293 954543849 /nfs/dbraw/zinc/54/38/49/954543849.db2.gz RIEGBDLGPUBAHP-NSHDSACASA-N -1 0 323.280 -0.099 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCCS(=O)(=O)C(F)(F)F)C1 ZINC001594892318 954544798 /nfs/dbraw/zinc/54/47/98/954544798.db2.gz SHIHDYLQZIHYKM-YFKPBYRVSA-N -1 0 318.229 -0.733 20 0 DBADRM CN1C[C@@H](COC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1=O ZINC001593772283 954549429 /nfs/dbraw/zinc/54/94/29/954549429.db2.gz FNPRAVXFCUEVMY-VHSXEESVSA-N -1 0 312.322 -0.669 20 0 DBADRM CN1CC(N2CCN(C(=O)c3cnc(C(=O)[O-])cn3)CC2)C1 ZINC001593772452 954552568 /nfs/dbraw/zinc/55/25/68/954552568.db2.gz LCAHCPLYMNSQOS-UHFFFAOYSA-N -1 0 305.338 -0.753 20 0 DBADRM CN1C[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])c2ccccc2C1=O ZINC001593772662 954555219 /nfs/dbraw/zinc/55/52/19/954555219.db2.gz OBLXKTFZEALWBY-NHYWBVRUSA-N -1 0 306.318 -0.192 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CCC1=O ZINC001593772854 954556743 /nfs/dbraw/zinc/55/67/43/954556743.db2.gz SGNKEVRNFROSGT-XPTSAGLGSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1C[C@H](C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)NC1=O ZINC001593773056 954558169 /nfs/dbraw/zinc/55/81/69/954558169.db2.gz XEGRGULWGJWUAV-HVWMPWFPSA-N -1 0 311.338 -0.461 20 0 DBADRM CN1C[C@@H](O)C[C@H]1c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C ZINC001593773477 954563438 /nfs/dbraw/zinc/56/34/38/954563438.db2.gz GQZNWYGUOUGLDZ-DCAQKATOSA-N -1 0 309.370 -0.146 20 0 DBADRM CN1C[C@H](O)C[C@@H]1c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1C ZINC001593773481 954563477 /nfs/dbraw/zinc/56/34/77/954563477.db2.gz GQZNWYGUOUGLDZ-GMTAPVOTSA-N -1 0 309.370 -0.146 20 0 DBADRM CN1C[C@@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)CCC1=O ZINC001593774662 954588478 /nfs/dbraw/zinc/58/84/78/954588478.db2.gz SBNJXQVNOPWTTL-VIFPVBQESA-N -1 0 307.306 -0.717 20 0 DBADRM CN1CCN(CC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CC1 ZINC001593784984 954690341 /nfs/dbraw/zinc/69/03/41/954690341.db2.gz HNXIVYCCXQBXAF-UHFFFAOYSA-N -1 0 309.370 -0.111 20 0 DBADRM CN1CCN(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1=O ZINC001593785082 954692943 /nfs/dbraw/zinc/69/29/43/954692943.db2.gz KTODZHRMLRKMKV-NWDGAFQWSA-N -1 0 309.366 -0.670 20 0 DBADRM CN1CCn2nc(NC(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)cc2C1 ZINC001593786776 954708104 /nfs/dbraw/zinc/70/81/04/954708104.db2.gz MVRNIWQLYUZPAO-SECBINFHSA-N -1 0 321.337 -0.800 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593787295 954720811 /nfs/dbraw/zinc/72/08/11/954720811.db2.gz ANWKVOBHKOWYEM-JTNHKYCSSA-N -1 0 313.354 -0.940 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593787298 954721565 /nfs/dbraw/zinc/72/15/65/954721565.db2.gz ANWKVOBHKOWYEM-WDMOLILDSA-N -1 0 313.354 -0.940 20 0 DBADRM CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001593788383 954740744 /nfs/dbraw/zinc/74/07/44/954740744.db2.gz CXWUKPGDEBGCKD-ZYHUDNBSSA-N -1 0 319.317 -0.311 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCC[C@@H](CCO)C2)CC1 ZINC001594915959 954752313 /nfs/dbraw/zinc/75/23/13/954752313.db2.gz IPHUEFOKKPSPJV-NSHDSACASA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC(F)(F)C[C@H]2CO)CC1 ZINC001594916566 954758836 /nfs/dbraw/zinc/75/88/36/954758836.db2.gz NRSBJSWKDLNGQQ-VIFPVBQESA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@H]1CCCCN1Cc1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC001594916726 954760445 /nfs/dbraw/zinc/76/04/45/954760445.db2.gz SFMVXFWETHUYKF-QWHCGFSZSA-N -1 0 309.370 -0.294 20 0 DBADRM CNC(=O)CNC(=O)c1cccc(NC(=O)[C@@H](C)C(=O)[O-])c1 ZINC001593793171 954776180 /nfs/dbraw/zinc/77/61/80/954776180.db2.gz IUHKNCJCSJCIQT-MRVPVSSYSA-N -1 0 307.306 -0.178 20 0 DBADRM CC(C)(CO)CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000386268988 972041094 /nfs/dbraw/zinc/04/10/94/972041094.db2.gz LUFMZEPXCXCMKO-UHFFFAOYSA-N -1 0 305.356 -0.345 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC001593793703 954786902 /nfs/dbraw/zinc/78/69/02/954786902.db2.gz UUTUWTMOIOQEOH-VIFPVBQESA-N -1 0 309.326 -0.042 20 0 DBADRM CNC(=O)Cc1noc(COC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001593793786 954788493 /nfs/dbraw/zinc/78/84/93/954788493.db2.gz XWZQIYLVLFKUCV-JGVFFNPUSA-N -1 0 311.294 -0.098 20 0 DBADRM CNC(=O)CN1CCCN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1 ZINC001593793746 954788608 /nfs/dbraw/zinc/78/86/08/954788608.db2.gz XIBQMXCBGLVGOF-HNNXBMFYSA-N -1 0 311.382 -0.232 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)NC[C@@]23COC(=O)N2CCOC3)C1 ZINC001594923798 954803075 /nfs/dbraw/zinc/80/30/75/954803075.db2.gz GKNCUSUCCOUJGB-TVQRCGJNSA-N -1 0 313.310 -0.676 20 0 DBADRM CNC(=O)NC1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001593795212 954804874 /nfs/dbraw/zinc/80/48/74/954804874.db2.gz QIUJATHUITUJCU-UHFFFAOYSA-N -1 0 313.354 -0.212 20 0 DBADRM CNC(=O)NC[C@@H]1CCCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001593795570 954807800 /nfs/dbraw/zinc/80/78/00/954807800.db2.gz YDKLKHVGANGNBA-JTQLQIEISA-N -1 0 321.399 -0.731 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001593797902 954825402 /nfs/dbraw/zinc/82/54/02/954825402.db2.gz DQVKIMUALQYKCN-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM CNS(=O)(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001593798164 954828651 /nfs/dbraw/zinc/82/86/51/954828651.db2.gz MTMMFLLPIAKDMF-KAIZJQOQSA-N -1 0 306.340 -0.964 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)N[C@@H](C)CC(=O)[O-])C1 ZINC001593798241 954830119 /nfs/dbraw/zinc/83/01/19/954830119.db2.gz PQOBEZUVXBBPGZ-UWVGGRQHSA-N -1 0 321.399 -0.180 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001593798578 954836090 /nfs/dbraw/zinc/83/60/90/954836090.db2.gz ZRWVYARJCWWALW-LBPRGKRZSA-N -1 0 304.368 -0.147 20 0 DBADRM CNS(=O)(=O)NCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001593798911 954842163 /nfs/dbraw/zinc/84/21/63/954842163.db2.gz HGYXLBDPOXYMNY-GUBZILKMSA-N -1 0 319.383 -0.716 20 0 DBADRM CNS(=O)(=O)NC1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001593799280 954846030 /nfs/dbraw/zinc/84/60/30/954846030.db2.gz XIWRYKCPMYQFOO-NXEZZACHSA-N -1 0 319.383 -0.858 20 0 DBADRM CNS(=O)(=O)N1CCN(c2ncccc2C(=O)[O-])CC1 ZINC001593799179 954846797 /nfs/dbraw/zinc/84/67/97/954846797.db2.gz SJDVMPSAOIVUMW-UHFFFAOYSA-N -1 0 300.340 -0.634 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC2(c3ncon3)CC2)CC1 ZINC001594934768 954848123 /nfs/dbraw/zinc/84/81/23/954848123.db2.gz ABQYKFVBKOLMML-UHFFFAOYSA-N -1 0 316.339 -0.310 20 0 DBADRM CNS(=O)(=O)c1ccc(CC(=O)NCCC(=O)[O-])cc1 ZINC001593802193 954857070 /nfs/dbraw/zinc/85/70/70/954857070.db2.gz QNWSCPDEIDIUFG-UHFFFAOYSA-N -1 0 300.336 -0.272 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@H]2C[C@@H](O)C23CCC3)CC1 ZINC001594935710 954858973 /nfs/dbraw/zinc/85/89/73/954858973.db2.gz VXXWYDLUTLCQOX-WDEREUQCSA-N -1 0 318.395 -0.079 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccn1)c1nncn1C ZINC000386385287 972049284 /nfs/dbraw/zinc/04/92/84/972049284.db2.gz SHTGZFWDFKKVTC-ZETCQYMHSA-N -1 0 311.323 -0.052 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC(F)F)C2)CCO1 ZINC001594940338 954878427 /nfs/dbraw/zinc/87/84/27/954878427.db2.gz CEHPWYBRBGWADN-YUMQZZPRSA-N -1 0 322.264 -0.862 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2[C@@H]2C[C@H]3CCCCN3C2=O)C1 ZINC001594940749 954886071 /nfs/dbraw/zinc/88/60/71/954886071.db2.gz NWDSBNLETXIKNX-GMTAPVOTSA-N -1 0 320.353 -0.090 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC(CO)C2)Cc2ccccc21 ZINC001594940800 954886717 /nfs/dbraw/zinc/88/67/17/954886717.db2.gz OWXBXFFKCRDZLG-CYBMUJFWSA-N -1 0 318.329 -0.352 20 0 DBADRM O=C([O-])C1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C1 ZINC001594941298 954895959 /nfs/dbraw/zinc/89/59/59/954895959.db2.gz GSVIYOZMTFPBNA-SNVBAGLBSA-N -1 0 303.318 -0.027 20 0 DBADRM COC(=O)[C@H](CC(F)F)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001593805665 954900929 /nfs/dbraw/zinc/90/09/29/954900929.db2.gz AVNTVLJVTGGEFE-YFKPBYRVSA-N -1 0 306.225 -0.711 20 0 DBADRM O=C([O-])C1CN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)C1 ZINC001594941569 954901004 /nfs/dbraw/zinc/90/10/04/954901004.db2.gz UMNLAUULIFBQGV-GHMZBOCLSA-N -1 0 305.290 -0.500 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC001594942358 954904109 /nfs/dbraw/zinc/90/41/09/954904109.db2.gz ICCDPWZSKWVNBH-ZJUUUORDSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])C1CN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC001594942575 954905081 /nfs/dbraw/zinc/90/50/81/954905081.db2.gz MXCKQMXUXWMWLE-SNVBAGLBSA-N -1 0 311.319 -0.741 20 0 DBADRM COC(=O)[C@H](CNC(=O)[C@H]1CC(C(=O)[O-])=NO1)[C@H]1CCOC1 ZINC001593806215 954908174 /nfs/dbraw/zinc/90/81/74/954908174.db2.gz GWZAMMCGCSPQCF-QXFUBDJGSA-N -1 0 314.294 -0.842 20 0 DBADRM COC(=O)[C@@H](CCC1OCCO1)NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001593806484 954909735 /nfs/dbraw/zinc/90/97/35/954909735.db2.gz HXXFHENKFIZILH-MWLCHTKSSA-N -1 0 315.322 -0.092 20 0 DBADRM O=C([O-])C1CN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)C1 ZINC001594945402 954913060 /nfs/dbraw/zinc/91/30/60/954913060.db2.gz SARMNWYKMLJMHK-UHFFFAOYSA-N -1 0 316.310 -0.353 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001593808740 954920328 /nfs/dbraw/zinc/92/03/28/954920328.db2.gz WGSYTYFSWMVZQW-WCBMZHEXSA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)[C@H](NC(=O)[C@H](OC)C(=O)[O-])[C@H]1CCC[C@@H](OC)C1 ZINC001593810292 954929621 /nfs/dbraw/zinc/92/96/21/954929621.db2.gz GWLOVRHURWKJJR-ZDCRXTMVSA-N -1 0 317.338 -0.051 20 0 DBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001593810512 954932067 /nfs/dbraw/zinc/93/20/67/954932067.db2.gz IXWGCBRWHNXDEH-HZMBPMFUSA-N -1 0 322.321 -0.253 20 0 DBADRM COC(=O)[C@@H](Cn1cncn1)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001593810514 954932155 /nfs/dbraw/zinc/93/21/55/954932155.db2.gz IXWGCBRWHNXDEH-QMTHXVAHSA-N -1 0 322.321 -0.253 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H](C2)S3(=O)=O)CCO1 ZINC001594948443 954938575 /nfs/dbraw/zinc/93/85/75/954938575.db2.gz WBBLIUDGEFMVEQ-MMWGEVLESA-N -1 0 317.363 -0.346 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001593811406 954942927 /nfs/dbraw/zinc/94/29/27/954942927.db2.gz NLPLBXLKCNIIOV-NSHDSACASA-N -1 0 323.305 -0.439 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)CCNC(=O)c2ccsc2)C1 ZINC000386472685 972056710 /nfs/dbraw/zinc/05/67/10/972056710.db2.gz PFCLHVHLRDALIX-ZDUSSCGKSA-N -1 0 312.347 -0.084 20 0 DBADRM COC(=O)[C@]1(C)CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001593812477 954960131 /nfs/dbraw/zinc/96/01/31/954960131.db2.gz DSFCYMMPFPXERZ-JOYOIKCWSA-N -1 0 320.367 -0.335 20 0 DBADRM COC(=O)C1(CNC(=O)c2cn(CC(=O)[O-])nn2)CCCC1 ZINC001593812970 954964071 /nfs/dbraw/zinc/96/40/71/954964071.db2.gz AVTUMOPZVIDBBJ-UHFFFAOYSA-N -1 0 310.310 -0.174 20 0 DBADRM COC(=O)[C@@]1(CNC(=O)C2(C(=O)[O-])CCOCC2)CCOC1 ZINC001593812975 954966160 /nfs/dbraw/zinc/96/61/60/954966160.db2.gz BAMYKSOWAUDRJY-CYBMUJFWSA-N -1 0 315.322 -0.436 20 0 DBADRM COC(=O)[C@@]1(O)CCN(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001593813180 954967547 /nfs/dbraw/zinc/96/75/47/954967547.db2.gz CKTBGALYJAHUON-CYBMUJFWSA-N -1 0 309.278 -0.079 20 0 DBADRM COC(=O)C1(NC(=O)c2cc(C(=O)[O-])nn2C)CCOCC1 ZINC001593813432 954971853 /nfs/dbraw/zinc/97/18/53/954971853.db2.gz DTYJPZQAWVXXBJ-UHFFFAOYSA-N -1 0 311.294 -0.430 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)C1 ZINC001593813523 954973633 /nfs/dbraw/zinc/97/36/33/954973633.db2.gz FZFMZOSYDMPXPW-ZDUSSCGKSA-N -1 0 309.278 -0.079 20 0 DBADRM COC(=O)[C@@]1(OC)CCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001593813824 954977418 /nfs/dbraw/zinc/97/74/18/954977418.db2.gz IKZJXNLVIHZPOQ-TVQRCGJNSA-N -1 0 300.311 -0.859 20 0 DBADRM COC(=O)[C@]1(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CCOC1 ZINC001593813813 954977970 /nfs/dbraw/zinc/97/79/70/954977970.db2.gz IBDDQEJSROYTSJ-RBZYPMLTSA-N -1 0 315.322 -0.295 20 0 DBADRM COC(=O)C1(NC(=O)c2cnc(C(=O)[O-])cn2)CC(CO)C1 ZINC001593814488 954986631 /nfs/dbraw/zinc/98/66/31/954986631.db2.gz OABYNJDGRVCMHZ-UHFFFAOYSA-N -1 0 309.278 -0.781 20 0 DBADRM COC(=O)[C@@]1(CNC(=O)c2cc(C(=O)[O-])nn2C)CCOC1 ZINC001593814392 954986909 /nfs/dbraw/zinc/98/69/09/954986909.db2.gz TZNXMLJHBKGUSS-CYBMUJFWSA-N -1 0 311.294 -0.572 20 0 DBADRM COC(=O)C1(NC(=O)c2ccc(C(=O)[O-])nc2)CC(CO)C1 ZINC001593814586 954988377 /nfs/dbraw/zinc/98/83/77/954988377.db2.gz PORRKJSTBPVDBZ-UHFFFAOYSA-N -1 0 308.290 -0.176 20 0 DBADRM COC(=O)[C@]1(F)CCN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001593814687 954990073 /nfs/dbraw/zinc/99/00/73/954990073.db2.gz ZLCYMSMOFKEHRJ-ZDUSSCGKSA-N -1 0 303.286 -0.019 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@H]1COc2ccc(O)cc2O1 ZINC001594957904 954995861 /nfs/dbraw/zinc/99/58/61/954995861.db2.gz UUWNZAAUCJGAMO-BXKDBHETSA-N -1 0 309.274 -0.156 20 0 DBADRM COC(=O)C1=NO[C@@]2(CCN(C(=O)c3cc(C(=O)[O-])n[nH]3)C2)C1 ZINC001593815252 954996657 /nfs/dbraw/zinc/99/66/57/954996657.db2.gz DDJUTAJHZDKUBP-ZDUSSCGKSA-N -1 0 322.277 -0.358 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCc2cccnc21 ZINC001594959719 955000575 /nfs/dbraw/zinc/00/05/75/955000575.db2.gz CUCPISVTRWQHOD-QWRGUYRKSA-N -1 0 324.358 -0.178 20 0 DBADRM COC(=O)C1CC(OC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001593815764 955001836 /nfs/dbraw/zinc/00/18/36/955001836.db2.gz JOJQNBSYECAYBW-RTBKNWGFSA-N -1 0 313.306 -0.196 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC1(Cl)Cl ZINC001594959800 955003014 /nfs/dbraw/zinc/00/30/14/955003014.db2.gz FWVKBCVIHUAASV-RITPCOANSA-N -1 0 316.162 -0.110 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccnc(F)c1 ZINC001594960148 955008822 /nfs/dbraw/zinc/00/88/22/955008822.db2.gz QJIJVRXGNOGKCJ-VIFPVBQESA-N -1 0 316.310 -0.527 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(Cl)[nH]1 ZINC001594960903 955014375 /nfs/dbraw/zinc/01/43/75/955014375.db2.gz GQFINRUXAQPQIC-SSDOTTSWSA-N -1 0 306.727 -0.008 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(Cl)[nH]1 ZINC001594960904 955016720 /nfs/dbraw/zinc/01/67/20/955016720.db2.gz GQFINRUXAQPQIC-ZETCQYMHSA-N -1 0 306.727 -0.008 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(F)nc1 ZINC001594961862 955020239 /nfs/dbraw/zinc/02/02/39/955020239.db2.gz NJXQCFGABPJMRY-MRVPVSSYSA-N -1 0 302.283 -0.456 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@H](O)c1ccccn1 ZINC001594961876 955020758 /nfs/dbraw/zinc/02/07/58/955020758.db2.gz NSZUDOSFOXVZOX-MNOVXSKESA-N -1 0 300.336 -0.701 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)Cn1cccn1)C[C@H]2C(=O)[O-] ZINC001593821231 955039773 /nfs/dbraw/zinc/03/97/73/955039773.db2.gz IXPCZNNOAWJQTN-VTWZXRTESA-N -1 0 321.333 -0.005 20 0 DBADRM O=C([O-])/C=C/c1cc(C(=O)N(CCO)CCOCCO)co1 ZINC001594965490 955047712 /nfs/dbraw/zinc/04/77/12/955047712.db2.gz UJPRQFIEDIEFLX-OWOJBTEDSA-N -1 0 313.306 -0.179 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C(=O)[O-] ZINC001589517159 955068931 /nfs/dbraw/zinc/06/89/31/955068931.db2.gz CGNQTHCENSXHJA-QWRGUYRKSA-N -1 0 311.382 -0.020 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CC(N2CCCC2=O)C1)C(=O)[O-] ZINC001589517111 955069310 /nfs/dbraw/zinc/06/93/10/955069310.db2.gz BRWASAHTLWTHNB-VIFPVBQESA-N -1 0 311.338 -0.953 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCCC2(C1)OCCO2)C(=O)[O-] ZINC001589519642 955088673 /nfs/dbraw/zinc/08/86/73/955088673.db2.gz UBTDUTSOXXDUFG-SNVBAGLBSA-N -1 0 314.338 -0.421 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)[C@H](OC)C(=O)[O-])C1 ZINC001593827032 955111180 /nfs/dbraw/zinc/11/11/80/955111180.db2.gz ZSAXFSPYPJBJMG-HLTSFMKQSA-N -1 0 317.294 -0.961 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H](OC)C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001593827975 955118867 /nfs/dbraw/zinc/11/88/67/955118867.db2.gz BMVCIVFDTQPYSX-VGMNWLOBSA-N -1 0 317.294 -0.961 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001593828015 955119120 /nfs/dbraw/zinc/11/91/20/955119120.db2.gz CSOXBDOOLPSTPK-JTQLQIEISA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)CCCCC(=O)[O-] ZINC001593829134 955132827 /nfs/dbraw/zinc/13/28/27/955132827.db2.gz VYWQEQGXFQUUHB-SECBINFHSA-N -1 0 300.311 -0.526 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1=O ZINC001593829281 955134440 /nfs/dbraw/zinc/13/44/40/955134440.db2.gz OSUNPKQTRDBJNI-KXUCPTDWSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001593829442 955136714 /nfs/dbraw/zinc/13/67/14/955136714.db2.gz XQOPHRCKSFWJCX-UTLUCORTSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@H]1CCCCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001593830056 955143883 /nfs/dbraw/zinc/14/38/83/955143883.db2.gz WFSPMVKRXMEGIK-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM CC[C@H](CNC(=O)N1CCN(c2nccnn2)CC1)C(=O)[O-] ZINC001589529570 955145481 /nfs/dbraw/zinc/14/54/81/955145481.db2.gz XOVOZOXXHFGCOE-SNVBAGLBSA-N -1 0 308.342 -0.186 20 0 DBADRM COC(=O)C[C@@](C)(NCC(=O)NCC(=O)[O-])c1ccccn1 ZINC001593831563 955154329 /nfs/dbraw/zinc/15/43/29/955154329.db2.gz FEQSMOVQXAJGCL-CQSZACIVSA-N -1 0 309.322 -0.350 20 0 DBADRM CC[C@@H](CNC(=O)NC[C@]12COC(=O)N1CCOC2)C(=O)[O-] ZINC001589535482 955158151 /nfs/dbraw/zinc/15/81/51/955158151.db2.gz SENWSXVZWJCNFL-ZANVPECISA-N -1 0 315.326 -0.382 20 0 DBADRM CC[C@@H](CNC(=O)NCC1(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC001589535427 955158237 /nfs/dbraw/zinc/15/82/37/955158237.db2.gz RJOVLPGTYAYFBS-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM CC[C@H](CNC(=O)NC[C@@]12COC(=O)N1CCOC2)C(=O)[O-] ZINC001589535479 955158299 /nfs/dbraw/zinc/15/82/99/955158299.db2.gz SENWSXVZWJCNFL-NOZJJQNGSA-N -1 0 315.326 -0.382 20 0 DBADRM COC(=O)C[C@H](C)N1CCN(C(=O)COCC(=O)[O-])CC1 ZINC001593832116 955161841 /nfs/dbraw/zinc/16/18/41/955161841.db2.gz VLLLIBFLHRJCBI-JTQLQIEISA-N -1 0 302.327 -0.817 20 0 DBADRM COC(=O)CC1CC(NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001593832681 955166698 /nfs/dbraw/zinc/16/66/98/955166698.db2.gz GGNWGODXGZFTGN-RTBKNWGFSA-N -1 0 320.367 -0.289 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001593833167 955170412 /nfs/dbraw/zinc/17/04/12/955170412.db2.gz QMPCKKKFRHZDKP-JTQLQIEISA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)CC1(NC(=O)c2cn(CC(=O)[O-])nn2)CCCC1 ZINC001593833239 955171325 /nfs/dbraw/zinc/17/13/25/955171325.db2.gz RZJJAUISPUCVMV-UHFFFAOYSA-N -1 0 310.310 -0.032 20 0 DBADRM COC(=O)CCCCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001593834064 955174737 /nfs/dbraw/zinc/17/47/37/955174737.db2.gz HXWJDDNLFJEURC-AWEZNQCLSA-N -1 0 314.338 -0.231 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@]1(C)CCCS1(=O)=O ZINC001593835675 955179363 /nfs/dbraw/zinc/17/93/63/955179363.db2.gz GJIOOHWERJFUJX-LBPRGKRZSA-N -1 0 321.351 -0.570 20 0 DBADRM CC[C@H](CNC(=O)c1ccc(S(=O)(=O)NC)nc1)C(=O)[O-] ZINC001589546700 955203393 /nfs/dbraw/zinc/20/33/93/955203393.db2.gz POPICRLLHUPNMI-MRVPVSSYSA-N -1 0 315.351 -0.170 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000386844372 972084723 /nfs/dbraw/zinc/08/47/23/972084723.db2.gz UQCPQJAUNOIBQK-CYBMUJFWSA-N -1 0 303.278 -0.676 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001593836381 955315576 /nfs/dbraw/zinc/31/55/76/955315576.db2.gz YEVSTWJUECDDDN-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM Cc1noc(CCCC(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)n1 ZINC001594500130 955317355 /nfs/dbraw/zinc/31/73/55/955317355.db2.gz MEOAAVOIIDPVFK-VIFPVBQESA-N -1 0 311.294 -0.071 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001593836640 955317526 /nfs/dbraw/zinc/31/75/26/955317526.db2.gz DNUFCCLDGOLVGJ-VXNVDRBHSA-N -1 0 300.267 -0.994 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001593836637 955317612 /nfs/dbraw/zinc/31/76/12/955317612.db2.gz DNUFCCLDGOLVGJ-APPZFPTMSA-N -1 0 300.267 -0.994 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC001593836638 955317844 /nfs/dbraw/zinc/31/78/44/955317844.db2.gz DNUFCCLDGOLVGJ-CBAPKCEASA-N -1 0 300.267 -0.994 20 0 DBADRM Cc1noc(CCCNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001594500509 955319110 /nfs/dbraw/zinc/31/91/10/955319110.db2.gz RRLJFECZSXRHFT-UHFFFAOYSA-N -1 0 324.337 -0.250 20 0 DBADRM COC(=O)CC[C@@]1(C)NC(=O)N(CN(C)CC(=O)[O-])C1=O ZINC001593837677 955323977 /nfs/dbraw/zinc/32/39/77/955323977.db2.gz WQRTVZZWUIXONJ-GFCCVEGCSA-N -1 0 301.299 -0.776 20 0 DBADRM COC(=O)CC[C@]1(C)NC(=O)N(CN(C)CC(=O)[O-])C1=O ZINC001593837678 955325087 /nfs/dbraw/zinc/32/50/87/955325087.db2.gz WQRTVZZWUIXONJ-LBPRGKRZSA-N -1 0 301.299 -0.776 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)COc1ccsn1 ZINC001593838891 955333243 /nfs/dbraw/zinc/33/32/43/955333243.db2.gz FGMWFUBOSHVHMW-UHFFFAOYSA-N -1 0 302.308 -0.002 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC001589001942 955333485 /nfs/dbraw/zinc/33/34/85/955333485.db2.gz POPLSVRVWPVBMA-DTWKUNHWSA-N -1 0 307.372 -0.427 20 0 DBADRM Cc1cncn1CC(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485330770 1013133751 /nfs/dbraw/zinc/13/37/51/1013133751.db2.gz JMGQBCUXXIFKLD-VIFPVBQESA-N -1 0 307.358 -0.348 20 0 DBADRM Cc1noc(C2CC2)c1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001594503386 955342758 /nfs/dbraw/zinc/34/27/58/955342758.db2.gz ZXWRARNLXASWIS-ZDUSSCGKSA-N -1 0 311.294 -0.249 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)CCN1CCOCC1 ZINC001593839460 955343417 /nfs/dbraw/zinc/34/34/17/955343417.db2.gz IOMRDHKZKQDJLY-UHFFFAOYSA-N -1 0 302.327 -0.815 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001593839725 955347404 /nfs/dbraw/zinc/34/74/04/955347404.db2.gz SXNRDGWOGBAMMG-VIFPVBQESA-N -1 0 309.322 -0.009 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1cccnc1C(N)=O ZINC001593839876 955349732 /nfs/dbraw/zinc/34/97/32/955349732.db2.gz ALUNPNXAXTVSPO-UHFFFAOYSA-N -1 0 309.278 -0.730 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CCn2cncc2C1 ZINC001593839863 955349795 /nfs/dbraw/zinc/34/97/95/955349795.db2.gz ZUYZGYSVYAOGEE-SNVBAGLBSA-N -1 0 309.322 -0.078 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])CN1C[C@]2(CCOC2)CC1=O ZINC001593840680 955356840 /nfs/dbraw/zinc/35/68/40/955356840.db2.gz AXSKZLUISCRULL-AWEZNQCLSA-N -1 0 314.338 -0.467 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])CC(=O)NCc1cccnc1 ZINC001593840871 955360331 /nfs/dbraw/zinc/36/03/31/955360331.db2.gz GLQHVKCMIGNYJV-UHFFFAOYSA-N -1 0 309.322 -0.353 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1c(C)nc(N)nc1C)C(=O)[O-] ZINC001593844129 955389944 /nfs/dbraw/zinc/38/99/44/955389944.db2.gz ODKHJUKHNCPQJL-QMMMGPOBSA-N -1 0 310.310 -0.188 20 0 DBADRM COC(=O)CCN1CCN(C(=O)COCC(=O)[O-])C[C@H]1C ZINC001593844402 955394495 /nfs/dbraw/zinc/39/44/95/955394495.db2.gz IKUHKEGZTYOPLB-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)C1(CC(=O)[O-])CCC1 ZINC001593844449 955395729 /nfs/dbraw/zinc/39/57/29/955395729.db2.gz JQHFXTPOICPDGM-UHFFFAOYSA-N -1 0 314.338 -0.183 20 0 DBADRM C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589013314 955400401 /nfs/dbraw/zinc/40/04/01/955400401.db2.gz UTXIRAPDNUORKE-NXEZZACHSA-N -1 0 324.337 -0.163 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC000386972381 972094052 /nfs/dbraw/zinc/09/40/52/972094052.db2.gz XPAJKADYXWCYNO-PSASIEDQSA-N -1 0 309.326 -0.688 20 0 DBADRM Cn1c2sc(C(=O)N3CC(C(=O)[O-])C3)cc2c(=O)n(C)c1=O ZINC001594517333 955420928 /nfs/dbraw/zinc/42/09/28/955420928.db2.gz OVZMXICXSQBOMG-UHFFFAOYSA-N -1 0 323.330 -0.545 20 0 DBADRM C[C@@H](CCCO)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589015149 955430434 /nfs/dbraw/zinc/43/04/34/955430434.db2.gz ZCWFLABQOMFZHH-JTQLQIEISA-N -1 0 321.395 -0.209 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1cc2n(n1)CCCC2=O)C(=O)[O-] ZINC001593847451 955431772 /nfs/dbraw/zinc/43/17/72/955431772.db2.gz OHAOUOCLIWNNQU-QMMMGPOBSA-N -1 0 323.305 -0.004 20 0 DBADRM C[C@@H](CCNC(=O)c1cccn(CC(=O)[O-])c1=O)[S@@](C)=O ZINC001589015472 955433476 /nfs/dbraw/zinc/43/34/76/955433476.db2.gz NSZZLNJALLAPNF-JLTPVHFHSA-N -1 0 314.363 -0.180 20 0 DBADRM C[C@@H](CCO)CNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589015552 955433651 /nfs/dbraw/zinc/43/36/51/955433651.db2.gz QMTNIJPELUDSTC-WDEREUQCSA-N -1 0 315.370 -0.230 20 0 DBADRM Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001594518225 955437860 /nfs/dbraw/zinc/43/78/60/955437860.db2.gz QYPQXBNPSORIBI-IUCAKERBSA-N -1 0 314.367 -0.372 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1cnc2n[nH]nc2c1)C(=O)[O-] ZINC001593848801 955440727 /nfs/dbraw/zinc/44/07/27/955440727.db2.gz RZJGFCHCKDSPIX-ZETCQYMHSA-N -1 0 307.266 -0.511 20 0 DBADRM C[C@H](CN(C)C(=O)CCn1cnc2c1ncnc2N)C(=O)[O-] ZINC001589019553 955453472 /nfs/dbraw/zinc/45/34/72/955453472.db2.gz KTCWUQTYKDEOCY-MRVPVSSYSA-N -1 0 306.326 -0.022 20 0 DBADRM COC(=O)CN(C)CCNC(=O)C1(C(=O)[O-])CCSCC1 ZINC001593851045 955456925 /nfs/dbraw/zinc/45/69/25/955456925.db2.gz XBTIWQHUBAHFGG-UHFFFAOYSA-N -1 0 318.395 -0.195 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NCC1([S@](C)=O)CCC1)C(=O)[O-] ZINC001589019705 955457694 /nfs/dbraw/zinc/45/76/94/955457694.db2.gz IRHNCWFJOFWAOL-FPVGNUTFSA-N -1 0 318.395 -0.417 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)C1(C(=O)[O-])CCOCC1 ZINC001594521382 955458918 /nfs/dbraw/zinc/45/89/18/955458918.db2.gz GHRUTMSJWZHVKJ-UHFFFAOYSA-N -1 0 314.367 -0.356 20 0 DBADRM CN1C(=S)N=NC1CCCNC(=O)CSCC(=O)[O-] ZINC001594522386 955464602 /nfs/dbraw/zinc/46/46/02/955464602.db2.gz VFXBZTHHKANARD-UHFFFAOYSA-N -1 0 304.397 -0.030 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NC[C@@H]1COC(C)(C)O1)C(=O)[O-] ZINC001589020309 955464692 /nfs/dbraw/zinc/46/46/92/955464692.db2.gz RKHOOPIFVOVYDK-DTWKUNHWSA-N -1 0 302.327 -0.567 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CC[C@H](CCCO)C1)C(=O)[O-] ZINC001589020516 955466678 /nfs/dbraw/zinc/46/66/78/955466678.db2.gz UJXAUDSCYDYDTN-QWRGUYRKSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C)C(=O)[O-] ZINC001589021234 955471159 /nfs/dbraw/zinc/47/11/59/955471159.db2.gz YZAQAEREPVYYBC-CXEAHSETSA-N -1 0 318.395 -0.467 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@@]12CCOC2=O)C(=O)[O-] ZINC001589021230 955471201 /nfs/dbraw/zinc/47/12/01/955471201.db2.gz YYCXLJMORUEJIA-OTYXRUKQSA-N -1 0 312.322 -0.526 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC(CCO)CC1)C(=O)[O-] ZINC001589021294 955473050 /nfs/dbraw/zinc/47/30/50/955473050.db2.gz ZJMJKXOFASQSCD-JTQLQIEISA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)Nc1ccn(CCF)n1)C(=O)[O-] ZINC001589021816 955477959 /nfs/dbraw/zinc/47/79/59/955477959.db2.gz FZRFALSFWGUXGT-MRVPVSSYSA-N -1 0 300.290 -0.030 20 0 DBADRM Cn1cc(-c2ncccc2NC(=O)C(=O)NCC(=O)[O-])cn1 ZINC001594524162 955489517 /nfs/dbraw/zinc/48/95/17/955489517.db2.gz XDAZYNVGDXYUFN-UHFFFAOYSA-N -1 0 303.278 -0.379 20 0 DBADRM COC(=O)N(C)CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593855989 955502544 /nfs/dbraw/zinc/50/25/44/955502544.db2.gz RDIRAOGKROVVCG-SECBINFHSA-N -1 0 315.326 -0.876 20 0 DBADRM COC(=O)N1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC001593856316 955506473 /nfs/dbraw/zinc/50/64/73/955506473.db2.gz CJZKKLXPSNHMAP-UHFFFAOYSA-N -1 0 311.298 -0.723 20 0 DBADRM COC(=O)N1CCC(C(=O)OCC(=O)NCC(=O)[O-])CC1 ZINC001593856591 955507244 /nfs/dbraw/zinc/50/72/44/955507244.db2.gz KNAAIWQTESRDKG-UHFFFAOYSA-N -1 0 302.283 -0.791 20 0 DBADRM Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)COCC(=O)[O-])cn1 ZINC001594526862 955508389 /nfs/dbraw/zinc/50/83/89/955508389.db2.gz NNSPSFNGPVNITI-LLVKDONJSA-N -1 0 324.337 -0.758 20 0 DBADRM Cn1cc(C(=O)OCC2(C(=O)[O-])CCOCC2)c(=O)[nH]c1=O ZINC001594529202 955511961 /nfs/dbraw/zinc/51/19/61/955511961.db2.gz AJUCSIWBVBRCCZ-UHFFFAOYSA-N -1 0 312.278 -0.476 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cn1 ZINC001594531037 955532584 /nfs/dbraw/zinc/53/25/84/955532584.db2.gz FQAJLPYGGHYWSS-NEPJUHHUSA-N -1 0 304.306 -0.339 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)C[C@@H](C)O1 ZINC001593860561 955533927 /nfs/dbraw/zinc/53/39/27/955533927.db2.gz FUQMFNNVZDNTCJ-XCBNKYQSSA-N -1 0 311.294 -0.479 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)C[C@H]1C ZINC001593860567 955535207 /nfs/dbraw/zinc/53/52/07/955535207.db2.gz GHZZMIUARTVBCJ-MWLCHTKSSA-N -1 0 322.317 -0.186 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C[C@H]1C ZINC001593860720 955538115 /nfs/dbraw/zinc/53/81/15/955538115.db2.gz HIMYSMGTAZOVSW-KXUCPTDWSA-N -1 0 314.338 -0.567 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cn1 ZINC001594532421 955544872 /nfs/dbraw/zinc/54/48/72/955544872.db2.gz RYXPYPHJEICULX-JQWIXIFHSA-N -1 0 324.337 -0.965 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cn1 ZINC001594532424 955545372 /nfs/dbraw/zinc/54/53/72/955545372.db2.gz RYXPYPHJEICULX-ZYHUDNBSSA-N -1 0 324.337 -0.965 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)Nc3c[nH]nc3C(=O)[O-])C2)cn1 ZINC001594532652 955545421 /nfs/dbraw/zinc/54/54/21/955545421.db2.gz SYIMJAUMTPIHQO-VIFPVBQESA-N -1 0 304.266 -0.027 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC001593861232 955546668 /nfs/dbraw/zinc/54/66/68/955546668.db2.gz PYDJGDVDCJHWOX-KXUCPTDWSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccnn2C)O1 ZINC001593861570 955552628 /nfs/dbraw/zinc/55/26/28/955552628.db2.gz ZDOBZNZCGMKNHS-UTLUCORTSA-N -1 0 311.294 -0.617 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(CCC(N)=O)cc1)C(=O)[O-] ZINC001589036644 955553387 /nfs/dbraw/zinc/55/33/87/955553387.db2.gz FMUORRINUSWESC-VIFPVBQESA-N -1 0 321.333 -0.120 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)nc1)C(=O)[O-] ZINC001589036757 955554259 /nfs/dbraw/zinc/55/42/59/955554259.db2.gz KJKJYHYOYJITSQ-MRVPVSSYSA-N -1 0 318.293 -0.562 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@]2(CCO[C@@H]2C)C1)C(=O)[O-] ZINC001589036674 955554635 /nfs/dbraw/zinc/55/46/35/955554635.db2.gz HWPAFRWSAVPBMY-GPCCPHFNSA-N -1 0 314.338 -0.770 20 0 DBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001593862479 955555811 /nfs/dbraw/zinc/55/58/11/955555811.db2.gz HNNPWTYITWXPIP-OPRDCNLKSA-N -1 0 302.327 -0.073 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1nnc2n1CCC2)C(=O)[O-] ZINC001589037027 955555957 /nfs/dbraw/zinc/55/59/57/955555957.db2.gz RAQWOZSLSUBEBE-YUMQZZPRSA-N -1 0 309.326 -0.762 20 0 DBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(Cc3nnn(C)n3)C2)cn1 ZINC001594534430 955559291 /nfs/dbraw/zinc/55/92/91/955559291.db2.gz GDSFZRSMOWOIIQ-UWVGGRQHSA-N -1 0 305.342 -0.366 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)[O-])C[C@H]1C ZINC001593862876 955561157 /nfs/dbraw/zinc/56/11/57/955561157.db2.gz XOVBZLWPIDKNBI-CKYFFXLPSA-N -1 0 316.354 -0.572 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCCC(=O)[O-] ZINC001593863634 955565126 /nfs/dbraw/zinc/56/51/26/955565126.db2.gz MELWPYJPOGCJEY-IUCAKERBSA-N -1 0 302.327 -0.186 20 0 DBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)c3cn(C)nn3)C2)cn1 ZINC001594535273 955567411 /nfs/dbraw/zinc/56/74/11/955567411.db2.gz CFVZYQKOBIDUAP-UWVGGRQHSA-N -1 0 318.337 -0.121 20 0 DBADRM C[C@@H](CN(C)c1nnnn1CCCN1CCOCC1)C(=O)[O-] ZINC001589039263 955578178 /nfs/dbraw/zinc/57/81/78/955578178.db2.gz ZZMOGKVZTKABBA-NSHDSACASA-N -1 0 312.374 -0.448 20 0 DBADRM C[C@@H](CN1CCOCC1)N(C)C(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001589040210 955591109 /nfs/dbraw/zinc/59/11/09/955591109.db2.gz YWWCBSJPNNFPRZ-SMDDNHRTSA-N -1 0 300.355 -0.201 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NC[C@@H](C)C(=O)[O-] ZINC001589040468 955593963 /nfs/dbraw/zinc/59/39/63/955593963.db2.gz YLNISCAENSSYAJ-KKZNHRDASA-N -1 0 300.355 -0.121 20 0 DBADRM Cn1cnc(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)n1 ZINC001594538638 955605189 /nfs/dbraw/zinc/60/51/89/955605189.db2.gz MNIPOSNCCAYEEB-ZJUUUORDSA-N -1 0 318.337 -0.121 20 0 DBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)CCNC(N)=O)C2)cn1 ZINC001594541434 955653791 /nfs/dbraw/zinc/65/37/91/955653791.db2.gz XTSQNBAETTYSBO-UWVGGRQHSA-N -1 0 323.353 -0.505 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])c(C)o1 ZINC001593874759 955654102 /nfs/dbraw/zinc/65/41/02/955654102.db2.gz JJGMGDGSLAHDBY-NSHDSACASA-N -1 0 321.307 -0.511 20 0 DBADRM C[C@@H](CNC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)C(=O)[O-] ZINC001589050616 955657396 /nfs/dbraw/zinc/65/73/96/955657396.db2.gz JBVYZOIACKQSHI-YIZRAAEISA-N -1 0 307.372 -0.727 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])on1 ZINC001593875495 955664384 /nfs/dbraw/zinc/66/43/84/955664384.db2.gz WRDSHHLWOKIPPH-SSDOTTSWSA-N -1 0 304.280 -0.301 20 0 DBADRM Cn1cc(CNC(=O)NCCC(C)(C)C(=O)[O-])c(=O)[nH]c1=O ZINC001594544036 955678196 /nfs/dbraw/zinc/67/81/96/955678196.db2.gz SZXMJZADLBELGH-UHFFFAOYSA-N -1 0 312.326 -0.214 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)c3cnc(C(=O)[O-])cn3)C2)cn1 ZINC001594545825 955683918 /nfs/dbraw/zinc/68/39/18/955683918.db2.gz IVXPGNCALZLGHB-SECBINFHSA-N -1 0 316.321 -0.083 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N3CCO[C@@H](C(=O)[O-])C3)CC2=O)cn1 ZINC001594546477 955687274 /nfs/dbraw/zinc/68/72/74/955687274.db2.gz RKBAKYVDCOROPP-MWLCHTKSSA-N -1 0 322.321 -0.915 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N3CCO[C@@H](C(=O)[O-])C3)CC2=O)cn1 ZINC001594546474 955687505 /nfs/dbraw/zinc/68/75/05/955687505.db2.gz RKBAKYVDCOROPP-GXSJLCMTSA-N -1 0 322.321 -0.915 20 0 DBADRM Cn1ccc([C@H]2CCCN(C(=O)C(=O)NCCC(=O)[O-])C2)n1 ZINC001594549316 955709935 /nfs/dbraw/zinc/70/99/35/955709935.db2.gz GOKRXYZENYZIEU-JTQLQIEISA-N -1 0 308.338 -0.283 20 0 DBADRM COC(=O)c1ccc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)nn1 ZINC001593881170 955710815 /nfs/dbraw/zinc/71/08/15/955710815.db2.gz CXZYWNAEBKGGPI-GFCCVEGCSA-N -1 0 310.266 -0.372 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)Nc2cccnc2C(=O)[O-])n1 ZINC001594550045 955717857 /nfs/dbraw/zinc/71/78/57/955717857.db2.gz YVPIFFBHQXJYFN-UHFFFAOYSA-N -1 0 317.305 -0.189 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC001594550033 955717892 /nfs/dbraw/zinc/71/78/92/955717892.db2.gz XVRJOJMTGBWNEI-CQSZACIVSA-N -1 0 308.338 -0.598 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001594550026 955718079 /nfs/dbraw/zinc/71/80/79/955718079.db2.gz XNCMOUNIWARQGI-UHFFFAOYSA-N -1 0 308.338 -0.598 20 0 DBADRM Cn1ccc(NC(=O)C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])n1 ZINC001594550769 955723364 /nfs/dbraw/zinc/72/33/64/955723364.db2.gz RLIIQPQLTZSFRK-SNVBAGLBSA-N -1 0 317.305 -0.434 20 0 DBADRM Cn1ccc(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)c1 ZINC001594550632 955723675 /nfs/dbraw/zinc/72/36/75/955723675.db2.gz PHCMWTNAZPMSAJ-UHFFFAOYSA-N -1 0 314.363 -0.079 20 0 DBADRM C[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1F)C(=O)[O-] ZINC001589062779 955726751 /nfs/dbraw/zinc/72/67/51/955726751.db2.gz MLURFJKIZGEDDA-LURJTMIESA-N -1 0 304.299 -0.076 20 0 DBADRM C[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CNC2=O)C(=O)[O-] ZINC001589063059 955729888 /nfs/dbraw/zinc/72/98/88/955729888.db2.gz QQKFWYCWEMZGOO-SSDOTTSWSA-N -1 0 305.290 -0.181 20 0 DBADRM Cn1ccnc1C1(O)CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001594553970 955743955 /nfs/dbraw/zinc/74/39/55/955743955.db2.gz FJSBFVMSBNQVCO-JTQLQIEISA-N -1 0 322.321 -0.540 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001594556494 955767263 /nfs/dbraw/zinc/76/72/63/955767263.db2.gz JVVXZXKYCULFTN-JTQLQIEISA-N -1 0 307.310 -0.702 20 0 DBADRM COC(=O)c1cccn(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1=O ZINC001593888742 955768337 /nfs/dbraw/zinc/76/83/37/955768337.db2.gz POAMHRLHPQHKKY-DTORHVGOSA-N -1 0 308.290 -0.386 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001593890553 955775734 /nfs/dbraw/zinc/77/57/34/955775734.db2.gz HNVPAVDRXBGLBA-ZETCQYMHSA-N -1 0 319.339 -0.169 20 0 DBADRM Cn1cncc1[C@@H](CO)NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001594557694 955778915 /nfs/dbraw/zinc/77/89/15/955778915.db2.gz SNYORMYHBGWMCM-SNVBAGLBSA-N -1 0 311.338 -0.159 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)nn1 ZINC001593890858 955779493 /nfs/dbraw/zinc/77/94/93/955779493.db2.gz OVMMFBPOCPHQAJ-BDAKNGLRSA-N -1 0 310.310 -0.366 20 0 DBADRM Cn1cnn(-c2ccc(NC(=O)COCC(=O)[O-])cc2)c1=O ZINC001594558616 955789800 /nfs/dbraw/zinc/78/98/00/955789800.db2.gz PJQZWUPEXSIKHV-UHFFFAOYSA-N -1 0 306.278 -0.389 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NCC(C)(CO)CO)n1 ZINC001589073350 955792130 /nfs/dbraw/zinc/79/21/30/955792130.db2.gz LCSWAXSXKPVQCG-UHFFFAOYSA-N -1 0 314.342 -0.185 20 0 DBADRM COC(=O)c1cn(C)nc1NC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001593891959 955792323 /nfs/dbraw/zinc/79/23/23/955792323.db2.gz RILBCBVXGOPUHZ-GFCCVEGCSA-N -1 0 312.282 -0.428 20 0 DBADRM COC(=O)c1cnc(Cl)c(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC001593893146 955795710 /nfs/dbraw/zinc/79/57/10/955795710.db2.gz CVERQFWTCHTLOU-UHFFFAOYSA-N -1 0 315.669 -0.339 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001594559965 955797463 /nfs/dbraw/zinc/79/74/63/955797463.db2.gz REHFPEUWZQEPBC-MNOVXSKESA-N -1 0 322.369 -0.100 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001589074989 955802885 /nfs/dbraw/zinc/80/28/85/955802885.db2.gz HHDOJZMCVPJLPD-OUAUKWLOSA-N -1 0 314.338 -0.770 20 0 DBADRM COC(=O)c1nc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cs1 ZINC001593894491 955817299 /nfs/dbraw/zinc/81/72/99/955817299.db2.gz CBFRLEMCXNJOBA-ZETCQYMHSA-N -1 0 300.292 -0.145 20 0 DBADRM COC(=O)c1ncoc1CCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001593897075 955829648 /nfs/dbraw/zinc/82/96/48/955829648.db2.gz AUQGUPDBODLLSJ-MRVPVSSYSA-N -1 0 312.278 -0.294 20 0 DBADRM COC(=O)c1nccnc1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001593897695 955839016 /nfs/dbraw/zinc/83/90/16/955839016.db2.gz JYMHLSAXCLYWFS-ZETCQYMHSA-N -1 0 323.261 -0.895 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCCn1cccnc1=O ZINC001594565850 955844898 /nfs/dbraw/zinc/84/48/98/955844898.db2.gz QEOUYDRKVQGKBZ-UHFFFAOYSA-N -1 0 305.294 -0.505 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCC(=O)Nc1ccncc1 ZINC001594565916 955846080 /nfs/dbraw/zinc/84/60/80/955846080.db2.gz UHJMHIWZYWWVPN-UHFFFAOYSA-N -1 0 317.305 -0.306 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589081304 955854476 /nfs/dbraw/zinc/85/44/76/955854476.db2.gz AIHJDVIFYWCEKK-SECBINFHSA-N -1 0 305.294 -0.657 20 0 DBADRM C[C@@H](Cc1ccncc1)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001589082735 955872912 /nfs/dbraw/zinc/87/29/12/955872912.db2.gz WESGVZNTTBODNW-CMPLNLGQSA-N -1 0 321.333 -0.559 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCC([C@@H](O)c2ccnn2C)CC1 ZINC001593901917 955877690 /nfs/dbraw/zinc/87/76/90/955877690.db2.gz HXPGABCFPRFHCR-VXGBXAGGSA-N -1 0 311.338 -0.208 20 0 DBADRM CN1CCN(C(=O)C(=O)N2CCSC[C@H](C(=O)[O-])C2)CC1 ZINC001598603715 1017331508 /nfs/dbraw/zinc/33/15/08/1017331508.db2.gz QDHHEKPRMOFLDR-SNVBAGLBSA-N -1 0 315.395 -0.963 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC001593904160 955892478 /nfs/dbraw/zinc/89/24/78/955892478.db2.gz BIWYUNNRTBSGIL-ZJUUUORDSA-N -1 0 322.383 -0.594 20 0 DBADRM C[C@H](N(C)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C(C)(C)O ZINC001589085184 955894582 /nfs/dbraw/zinc/89/45/82/955894582.db2.gz QNNWPTQIGJAMRL-QMMMGPOBSA-N -1 0 312.326 -0.476 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCC(C(=O)[O-])CC1)c1ccn(C)n1 ZINC001589085994 955899917 /nfs/dbraw/zinc/89/99/17/955899917.db2.gz COFIIZUUNYYKME-SECBINFHSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)c1cnn(C)c1 ZINC001589086336 955903135 /nfs/dbraw/zinc/90/31/35/955903135.db2.gz IIEIBYRQLXSDBP-QMMMGPOBSA-N -1 0 320.309 -0.483 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001593905215 955904458 /nfs/dbraw/zinc/90/44/58/955904458.db2.gz GMEJMYDDVAJGIJ-VIFPVBQESA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@H](NC(=O)C(=O)NCCCCC(=O)[O-])[C@H]1CN(C)CCO1 ZINC001589086667 955906835 /nfs/dbraw/zinc/90/68/35/955906835.db2.gz RIKZEUUIWBPQGW-WDEREUQCSA-N -1 0 315.370 -0.807 20 0 DBADRM C[C@@H](NC(=O)C(=O)N(C)CCC(=O)[O-])c1nnc2ccccn21 ZINC001589086710 955907105 /nfs/dbraw/zinc/90/71/05/955907105.db2.gz SSNADSGEZLDLDO-SECBINFHSA-N -1 0 319.321 -0.160 20 0 DBADRM C[C@@H](NC(=O)C(=O)NCCCCC(=O)[O-])[C@@H]1CN(C)CCO1 ZINC001589086665 955907182 /nfs/dbraw/zinc/90/71/82/955907182.db2.gz RIKZEUUIWBPQGW-MNOVXSKESA-N -1 0 315.370 -0.807 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1)c1nnnn1C ZINC001589086853 955908720 /nfs/dbraw/zinc/90/87/20/955908720.db2.gz VUDVDRCCYOXGLL-SSDOTTSWSA-N -1 0 318.293 -0.276 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C ZINC001593905825 955911541 /nfs/dbraw/zinc/91/15/41/955911541.db2.gz KPRGKSNUFYDHGR-YUMQZZPRSA-N -1 0 304.368 -0.098 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC001593906242 955918386 /nfs/dbraw/zinc/91/83/86/955918386.db2.gz RDURHEPLYAGHHM-RKDXNWHRSA-N -1 0 303.311 -0.345 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 ZINC001593906599 955924212 /nfs/dbraw/zinc/92/42/12/955924212.db2.gz CERVECRDRRSYTC-NXEZZACHSA-N -1 0 317.338 -0.382 20 0 DBADRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])CCCO1)C(=O)NCC(F)(F)F ZINC001589090510 955930647 /nfs/dbraw/zinc/93/06/47/955930647.db2.gz DNCFCADNCZJXKI-LDWIPMOCSA-N -1 0 312.244 -0.197 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCCS(=O)(=O)c1ccccc1 ZINC001593907433 955940329 /nfs/dbraw/zinc/94/03/29/955940329.db2.gz DUAFUQADYCVPCZ-SNVBAGLBSA-N -1 0 301.320 -0.324 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC001593907714 955944176 /nfs/dbraw/zinc/94/41/76/955944176.db2.gz NAQCMGIFZIXRTJ-VWYCJHECSA-N -1 0 301.339 -0.230 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1nccn1C ZINC001589091596 955944205 /nfs/dbraw/zinc/94/42/05/955944205.db2.gz DWGIKILCTTYFKO-NXEZZACHSA-N -1 0 308.338 -0.080 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN1CC[C@@H](CS(C)(=O)=O)C1 ZINC001594579370 955952239 /nfs/dbraw/zinc/95/22/39/955952239.db2.gz WTCGJUPATULTMI-SECBINFHSA-N -1 0 301.368 -0.015 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC001593908469 955952737 /nfs/dbraw/zinc/95/27/37/955952737.db2.gz YRZMSQDOOQYADY-AEJSXWLSSA-N -1 0 322.383 -0.690 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC001593908647 955953845 /nfs/dbraw/zinc/95/38/45/955953845.db2.gz JPMJHZZNJTYFTH-MRVPVSSYSA-N -1 0 307.349 -0.133 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1cnn(C)c1 ZINC001589092404 955956243 /nfs/dbraw/zinc/95/62/43/955956243.db2.gz OMFACLRFNRUMLA-KOLCDFICSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ccn(C)n1 ZINC001589092281 955956257 /nfs/dbraw/zinc/95/62/57/955956257.db2.gz MTTYHZZKTCOJDB-VHSXEESVSA-N -1 0 308.338 -0.080 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC001593908915 955956836 /nfs/dbraw/zinc/95/68/36/955956836.db2.gz OMFZUILNKURTSX-LLVKDONJSA-N -1 0 313.331 -0.268 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC001593910932 955963704 /nfs/dbraw/zinc/96/37/04/955963704.db2.gz DNTZFPKOZKTRSU-IJLUTSLNSA-N -1 0 312.366 -0.154 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN1CCN([S@](C)(=N)=O)CC1 ZINC001594580670 955964058 /nfs/dbraw/zinc/96/40/58/955964058.db2.gz BFEDSWDQWJTSGS-FQEVSTJZSA-N -1 0 301.372 -0.173 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN1CCC[C@H](NS(C)(=O)=O)C1 ZINC001594581540 955976430 /nfs/dbraw/zinc/97/64/30/955976430.db2.gz WVOGQONHALWFLU-VIFPVBQESA-N -1 0 316.383 -0.368 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC001593913506 955996139 /nfs/dbraw/zinc/99/61/39/955996139.db2.gz ZIPMRYCCGNQTLA-NSHDSACASA-N -1 0 321.289 -0.224 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)Nc1ncn(CC(=O)[O-])n1)CC2 ZINC001594586171 956000473 /nfs/dbraw/zinc/00/04/73/956000473.db2.gz LHMIFQYHJYZHOO-MRVPVSSYSA-N -1 0 304.310 -0.160 20 0 DBADRM Cn1nccc1C(NC(=O)COCC(=O)[O-])c1ccnn1C ZINC001594588105 956018704 /nfs/dbraw/zinc/01/87/04/956018704.db2.gz CEPDIZYHMJNXOG-UHFFFAOYSA-N -1 0 307.310 -0.540 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)O[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC001593915602 956018882 /nfs/dbraw/zinc/01/88/82/956018882.db2.gz PORDPOFMWXODNC-WPRPVWTQSA-N -1 0 311.294 -0.523 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)O[C@H]1CCN(C2CCOCC2)C1=O ZINC001593915810 956019847 /nfs/dbraw/zinc/01/98/47/956019847.db2.gz RWMCCWKKKYBPKR-UWVGGRQHSA-N -1 0 301.295 -0.591 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@@H]1CCCn2ncnc21)C(=O)[O-] ZINC001594588508 956022168 /nfs/dbraw/zinc/02/21/68/956022168.db2.gz XOJCSAQEPGZKMF-SCZZXKLOSA-N -1 0 304.310 -0.169 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC001593917230 956035977 /nfs/dbraw/zinc/03/59/77/956035977.db2.gz JVCZUHMDUDMRPW-DVZSTIFDSA-N -1 0 310.350 -0.118 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC001593917231 956036391 /nfs/dbraw/zinc/03/63/91/956036391.db2.gz JVCZUHMDUDMRPW-XTFSXASSSA-N -1 0 310.350 -0.118 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)Nc1nccn(C)c1=O)C(=O)[O-] ZINC001594589922 956044973 /nfs/dbraw/zinc/04/49/73/956044973.db2.gz XGVOBYMFNFFPHO-MRVPVSSYSA-N -1 0 306.282 -0.539 20 0 DBADRM C[C@@H](NC(=O)NCCS(N)(=O)=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589108502 956046142 /nfs/dbraw/zinc/04/61/42/956046142.db2.gz CDCAUPIDNWQWFA-HRDYMLBCSA-N -1 0 321.399 -0.291 20 0 DBADRM Cn1nccc1[C@H](NCC(=O)N1CCOC[C@H]1C1CC1)C(=O)[O-] ZINC001594590071 956047493 /nfs/dbraw/zinc/04/74/93/956047493.db2.gz CONVBHQVPVSGCF-JSGCOSHPSA-N -1 0 322.365 -0.227 20 0 DBADRM CC1(C)CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@@H]1O ZINC000388043533 972153602 /nfs/dbraw/zinc/15/36/02/972153602.db2.gz MWDYHWOGCXKDFT-VIFPVBQESA-N -1 0 303.340 -0.641 20 0 DBADRM Cn1nccc1[C@@H]1COCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001594596630 956098605 /nfs/dbraw/zinc/09/86/05/956098605.db2.gz GLNNXCAZUFLGOS-RYUDHWBXSA-N -1 0 308.338 -0.521 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2nnc(C)s2)CC1 ZINC001593922880 956102132 /nfs/dbraw/zinc/10/21/32/956102132.db2.gz YSGBHJBAGWYQFF-GFCCVEGCSA-N -1 0 314.367 -0.015 20 0 DBADRM Cn1nccc1CCn1nnnc1N1CCC(C(=O)[O-])CC1 ZINC001594597405 956106103 /nfs/dbraw/zinc/10/61/03/956106103.db2.gz WOAFEFCWLFUHBC-UHFFFAOYSA-N -1 0 305.342 -0.050 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001593924755 956107825 /nfs/dbraw/zinc/10/78/25/956107825.db2.gz CWGPJQNUWIDYOQ-AUTRQRHGSA-N -1 0 322.383 -0.690 20 0 DBADRM Cn1nnc2cc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])ccc21 ZINC001594597793 956109094 /nfs/dbraw/zinc/10/90/94/956109094.db2.gz DZLDQFHEBWAZMK-LLVKDONJSA-N -1 0 314.323 -0.918 20 0 DBADRM Cn1nnc2ccc(C(=O)Nc3ncn(CC(=O)[O-])n3)cc21 ZINC001594598189 956111591 /nfs/dbraw/zinc/11/15/91/956111591.db2.gz LUNRXORSRJNNJN-UHFFFAOYSA-N -1 0 301.266 -0.103 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001593925247 956112966 /nfs/dbraw/zinc/11/29/66/956112966.db2.gz NSKXDNHXWQCFHQ-IRHHVTTKSA-N -1 0 305.352 -0.300 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C)C1 ZINC001593925336 956115053 /nfs/dbraw/zinc/11/50/53/956115053.db2.gz QMTOHQGHWFAXAB-ZHAHWJHGSA-N -1 0 305.352 -0.631 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC001594599050 956118190 /nfs/dbraw/zinc/11/81/90/956118190.db2.gz ITHRUQQBDFESGE-ZDUSSCGKSA-N -1 0 306.322 -0.344 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCS(=O)(=O)N1CCCC1 ZINC001593925901 956124566 /nfs/dbraw/zinc/12/45/66/956124566.db2.gz NHXDJLXVCSLDHR-LLVKDONJSA-N -1 0 308.356 -0.982 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1([NH+](C)C)CCC1 ZINC001593926280 956131331 /nfs/dbraw/zinc/13/13/31/956131331.db2.gz FQKUAANJWPPJHI-NSHDSACASA-N -1 0 322.383 -0.594 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC001593928299 956152480 /nfs/dbraw/zinc/15/24/80/956152480.db2.gz WTFLJPNIZBZWKE-BXKDBHETSA-N -1 0 303.311 -0.486 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)OCC(=O)NC(=O)NCC(C)C ZINC001593929716 956158610 /nfs/dbraw/zinc/15/86/10/956158610.db2.gz DDGROVSJCIYGPZ-LBPRGKRZSA-N -1 0 304.299 -0.499 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC001593929783 956160005 /nfs/dbraw/zinc/16/00/05/956160005.db2.gz GVIJWLPBLRMYSC-HNNXBMFYSA-N -1 0 324.333 -0.234 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC001593929784 956160227 /nfs/dbraw/zinc/16/02/27/956160227.db2.gz GVIJWLPBLRMYSC-OAHLLOKOSA-N -1 0 324.333 -0.234 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)O[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001593930702 956175059 /nfs/dbraw/zinc/17/50/59/956175059.db2.gz MMXLCBZBZWHAPV-JRKPZEMJSA-N -1 0 303.311 -0.297 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)OCC(=O)C(=O)[O-] ZINC001589131810 956202801 /nfs/dbraw/zinc/20/28/01/956202801.db2.gz BYJSGKYKAWJITP-ZCFIWIBFSA-N -1 0 321.332 -0.388 20 0 DBADRM C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1ncnn1C ZINC001589132236 956211817 /nfs/dbraw/zinc/21/18/17/956211817.db2.gz OSTROQPZOVHZDK-YUMQZZPRSA-N -1 0 303.344 -0.741 20 0 DBADRM C[C@](O)(C[C@H](O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-])C1CC1 ZINC001589137169 956236403 /nfs/dbraw/zinc/23/64/03/956236403.db2.gz ZQEFXUAUDYVIFH-GVXVVHGQSA-N -1 0 321.395 -0.918 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1ccn(CC(F)F)n1)C(=O)[O-] ZINC001589137817 956241423 /nfs/dbraw/zinc/24/14/23/956241423.db2.gz CKTMRWCJQCYVFD-NSHDSACASA-N -1 0 320.252 -0.962 20 0 DBADRM C[C@@](O)(CNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)[O-] ZINC001589138524 956249011 /nfs/dbraw/zinc/24/90/11/956249011.db2.gz FQGASYCTEUSQKY-XJKSGUPXSA-N -1 0 322.361 -0.161 20 0 DBADRM CO[C@H](CC(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001593938556 956250824 /nfs/dbraw/zinc/25/08/24/956250824.db2.gz PXLYEWPZAYWPNS-VHSXEESVSA-N -1 0 307.368 -0.242 20 0 DBADRM C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-] ZINC001589138870 956253112 /nfs/dbraw/zinc/25/31/12/956253112.db2.gz JWAGHIOLCDVAJC-OTYXRUKQSA-N -1 0 310.306 -0.420 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)CC(C)C ZINC001593938918 956257059 /nfs/dbraw/zinc/25/70/59/956257059.db2.gz OIWUVDIEQNMXOS-GHMZBOCLSA-N -1 0 316.354 -0.524 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C(F)(F)F ZINC001593939178 956260802 /nfs/dbraw/zinc/26/08/02/956260802.db2.gz XYLPAGKWSQALBG-DSYKOEDSSA-N -1 0 312.244 -0.341 20 0 DBADRM C[C@@](O)(CNC(=O)CSc1nnc2ccccn21)C(=O)[O-] ZINC001589140671 956266690 /nfs/dbraw/zinc/26/66/90/956266690.db2.gz SZWRHBIVNURNTC-GFCCVEGCSA-N -1 0 310.335 -0.227 20 0 DBADRM C[C@](O)(CNC(=O)c1ccc(CS(C)(=O)=O)o1)C(=O)[O-] ZINC001589144339 956275389 /nfs/dbraw/zinc/27/53/89/956275389.db2.gz HJGINXXHKZJVSN-NSHDSACASA-N -1 0 305.308 -0.610 20 0 DBADRM C[C@](O)(CNC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1)C(=O)[O-] ZINC001589144909 956284379 /nfs/dbraw/zinc/28/43/79/956284379.db2.gz YQOCSWZUWAWDAQ-RISCZKNCSA-N -1 0 323.305 -0.132 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)Nc2ccnc(C(=O)[O-])c2)CC1 ZINC001589146204 956288979 /nfs/dbraw/zinc/28/89/79/956288979.db2.gz DYFNZZQJXGAVAN-VIFPVBQESA-N -1 0 322.321 -0.163 20 0 DBADRM COC1(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)CS(=O)(=O)C1 ZINC001593943081 956294587 /nfs/dbraw/zinc/29/45/87/956294587.db2.gz DHTUWXLXUIWRLE-RKDXNWHRSA-N -1 0 305.352 -0.631 20 0 DBADRM COC1(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])CCOCC1 ZINC001593943239 956296838 /nfs/dbraw/zinc/29/68/38/956296838.db2.gz BGKQTSINWSPXQM-VIFPVBQESA-N -1 0 302.327 -0.865 20 0 DBADRM CO[C@@]1(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001593943365 956298196 /nfs/dbraw/zinc/29/81/96/956298196.db2.gz KBQJHGCXMCHVNL-PTRXPTGYSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001589146887 956299636 /nfs/dbraw/zinc/29/96/36/956299636.db2.gz OGIMORQWJMELCG-NHYWBVRUSA-N -1 0 310.350 -0.151 20 0 DBADRM CO[C@]1(C(=O)Nc2cncc(C(=O)[O-])c2)CCS(=O)(=O)C1 ZINC001593943535 956301864 /nfs/dbraw/zinc/30/18/64/956301864.db2.gz MXKBSJHLCAWKGZ-GFCCVEGCSA-N -1 0 314.319 -0.078 20 0 DBADRM COC1(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CS(=O)(=O)C1 ZINC001593943673 956303563 /nfs/dbraw/zinc/30/35/63/956303563.db2.gz PPDUSURAWFOKEW-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM C[C@](O)(CNS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-] ZINC001589147233 956304429 /nfs/dbraw/zinc/30/44/29/956304429.db2.gz ABYSZEUHHMQJDY-ZETCQYMHSA-N -1 0 309.262 -0.680 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)NCCCC(=O)[O-])CCSC1 ZINC001593944117 956310847 /nfs/dbraw/zinc/31/08/47/956310847.db2.gz ZXQPZSLPOCVWMT-LBPRGKRZSA-N -1 0 304.368 -0.394 20 0 DBADRM COC(OC)[C@H](C)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593944919 956319058 /nfs/dbraw/zinc/31/90/58/956319058.db2.gz QHSAMVSLRSPMJA-IGJMFERPSA-N -1 0 302.327 -0.264 20 0 DBADRM C[C@](O)(CNS(=O)(=O)Cc1noc2c1CCCC2)C(=O)[O-] ZINC001589148315 956321187 /nfs/dbraw/zinc/32/11/87/956321187.db2.gz QBPOWPXLZGLQDG-LBPRGKRZSA-N -1 0 318.351 -0.192 20 0 DBADRM C[C@](O)(CNS(=O)(=O)Cc1ccc(Cl)nc1)C(=O)[O-] ZINC001589148512 956322189 /nfs/dbraw/zinc/32/21/89/956322189.db2.gz VILDHKZDSTUKHC-JTQLQIEISA-N -1 0 308.743 -0.010 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1c[nH]c2ncncc12)C(=O)[O-] ZINC001589148772 956326206 /nfs/dbraw/zinc/32/62/06/956326206.db2.gz ZQXOSALECUSQNZ-SNVBAGLBSA-N -1 0 300.296 -0.977 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589152452 956336119 /nfs/dbraw/zinc/33/61/19/956336119.db2.gz ORDFJEJUVVGHIG-GHMZBOCLSA-N -1 0 315.370 -0.136 20 0 DBADRM CO[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC001593947968 956347720 /nfs/dbraw/zinc/34/77/20/956347720.db2.gz ZOQMGORHDSZZPH-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM CO[C@H]1CC[C@@H](C)N(C(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC001593947970 956347734 /nfs/dbraw/zinc/34/77/34/956347734.db2.gz ZOQMGORHDSZZPH-ZJUUUORDSA-N -1 0 302.327 -0.770 20 0 DBADRM C[C@@H](O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589153533 956348648 /nfs/dbraw/zinc/34/86/48/956348648.db2.gz VOWNSCAZZBJHRY-ZJUUUORDSA-N -1 0 324.337 -0.332 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CCO1 ZINC001589153403 956348861 /nfs/dbraw/zinc/34/88/61/956348861.db2.gz STXGMKDUMUODIQ-USZNOCQGSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@H](O)[C@@H]1CN(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CCO1 ZINC001589153402 956349060 /nfs/dbraw/zinc/34/90/60/956349060.db2.gz STXGMKDUMUODIQ-QCNOEVLYSA-N -1 0 301.339 -0.136 20 0 DBADRM COC1(c2nc(-c3cn(CC(=O)[O-])c(=O)[nH]c3=O)no2)CC1 ZINC001593948443 956352248 /nfs/dbraw/zinc/35/22/48/956352248.db2.gz ZNKHKWWAXDTBPZ-UHFFFAOYSA-N -1 0 308.250 -0.281 20 0 DBADRM CO[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001593950170 956371068 /nfs/dbraw/zinc/37/10/68/956371068.db2.gz RWUOHTFHPRXBHG-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593950574 956377809 /nfs/dbraw/zinc/37/78/09/956377809.db2.gz CACVLTNFRVWXRA-RTWAVKEYSA-N -1 0 313.350 -0.012 20 0 DBADRM NC(=O)[C@@H](F)C1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001594636875 956379450 /nfs/dbraw/zinc/37/94/50/956379450.db2.gz RAEPZBVMCQOSND-JTQLQIEISA-N -1 0 310.347 -0.979 20 0 DBADRM C[C@@H](OC(=O)C(C)(C)C(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC001589158124 956380556 /nfs/dbraw/zinc/38/05/56/956380556.db2.gz BEFQGFJZFILPNH-MRVPVSSYSA-N -1 0 314.338 -0.234 20 0 DBADRM C[C@H](OC(=O)[C@@H](C)C(=O)[O-])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001589158178 956381090 /nfs/dbraw/zinc/38/10/90/956381090.db2.gz CIULZDXTXIQNQO-CIUDSAMLSA-N -1 0 300.311 -0.637 20 0 DBADRM NC(=O)[C@H](NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)c1ccccn1 ZINC001594637178 956384111 /nfs/dbraw/zinc/38/41/11/956384111.db2.gz XWIOPZZBIOGZLI-GIPNMCIBSA-N -1 0 321.333 -0.006 20 0 DBADRM C[C@@H](OC(=O)[C@H](C)C(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC001589159113 956391732 /nfs/dbraw/zinc/39/17/32/956391732.db2.gz RBMCSUVWEGQFCI-HTQZYQBOSA-N -1 0 300.311 -0.624 20 0 DBADRM CO[C@H]1CN(C(=O)NCCOCCOCC(=O)[O-])CCO1 ZINC001593951584 956393912 /nfs/dbraw/zinc/39/39/12/956393912.db2.gz UPLWQIXTHPFOKK-LLVKDONJSA-N -1 0 306.315 -0.882 20 0 DBADRM NC(=O)CCC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001594638508 956394798 /nfs/dbraw/zinc/39/47/98/956394798.db2.gz KBEQZSJILJBEBJ-SECBINFHSA-N -1 0 311.338 -0.824 20 0 DBADRM NC(=O)C1(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCCC1 ZINC001594639035 956399769 /nfs/dbraw/zinc/39/97/69/956399769.db2.gz SQUNXTDLJMOWAT-VIFPVBQESA-N -1 0 311.338 -0.776 20 0 DBADRM NC(=O)CC[C@H]1CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001594639525 956406242 /nfs/dbraw/zinc/40/62/42/956406242.db2.gz MWXPCNKILVYRRH-SNVBAGLBSA-N -1 0 306.384 -0.537 20 0 DBADRM NC(=O)C1CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001594640413 956414218 /nfs/dbraw/zinc/41/42/18/956414218.db2.gz LFULAUTUEUNUKF-JTQLQIEISA-N -1 0 311.338 -0.967 20 0 DBADRM NC(=O)COc1ccc(CNC(=O)CSCC(=O)[O-])cc1 ZINC001594640984 956418763 /nfs/dbraw/zinc/41/87/63/956418763.db2.gz GGJIBNFADUILNU-UHFFFAOYSA-N -1 0 312.347 -0.015 20 0 DBADRM COC[C@H](C)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593954723 956419323 /nfs/dbraw/zinc/41/93/23/956419323.db2.gz QWOFHIXKJDLOSC-SECBINFHSA-N -1 0 307.368 -0.335 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001589162080 956421237 /nfs/dbraw/zinc/42/12/37/956421237.db2.gz KOMQBNZVVKMCIH-GARJFASQSA-N -1 0 315.322 -0.201 20 0 DBADRM NC(=O)CN1CCCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC001594641542 956424646 /nfs/dbraw/zinc/42/46/46/956424646.db2.gz SKSOGBFPRANBNI-UHFFFAOYSA-N -1 0 306.322 -0.587 20 0 DBADRM NC(=O)COc1ccc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC001594641537 956425000 /nfs/dbraw/zinc/42/50/00/956425000.db2.gz RYMMPEUKVHIKQM-CQSZACIVSA-N -1 0 323.305 -0.084 20 0 DBADRM NC(=O)Cc1cccc2c1CCN(C(=O)COCC(=O)[O-])C2 ZINC001594642062 956427390 /nfs/dbraw/zinc/42/73/90/956427390.db2.gz DOSHHNOJYCQWTR-UHFFFAOYSA-N -1 0 306.318 -0.300 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594645976 956439911 /nfs/dbraw/zinc/43/99/11/956439911.db2.gz YQCSVSSFPKYJKH-HBNTYKKESA-N -1 0 307.306 -0.555 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594645974 956440353 /nfs/dbraw/zinc/44/03/53/956440353.db2.gz YQCSVSSFPKYJKH-GMTAPVOTSA-N -1 0 307.306 -0.555 20 0 DBADRM COC[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)[C@@H]1CCCO1 ZINC001593957327 956445362 /nfs/dbraw/zinc/44/53/62/956445362.db2.gz MLUNKARYFFQASL-NEPJUHHUSA-N -1 0 324.333 -0.143 20 0 DBADRM COC[C@@H](CS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C)OC ZINC001593957409 956446437 /nfs/dbraw/zinc/44/64/37/956446437.db2.gz SMTPILHPJSEJQN-WPRPVWTQSA-N -1 0 321.355 -0.873 20 0 DBADRM COC[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])[C@H]1CCCOC1 ZINC001593957788 956451390 /nfs/dbraw/zinc/45/13/90/956451390.db2.gz ZDOURFDJGFVIMV-QWRGUYRKSA-N -1 0 316.354 -0.523 20 0 DBADRM NC(=O)[C@@H]1C[N@H+](CC(=O)NCC(=O)[O-])C[C@H]1c1ccccc1 ZINC001594648186 956452156 /nfs/dbraw/zinc/45/21/56/956452156.db2.gz SNZVGSCRIPZRKU-NWDGAFQWSA-N -1 0 305.334 -0.612 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCOC[C@H]2C(=O)[O-])O1 ZINC001594648399 956452618 /nfs/dbraw/zinc/45/26/18/956452618.db2.gz ZLFFZEYTWBOFJK-UTLUCORTSA-N -1 0 300.311 -0.889 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N(CC(=O)[O-])C2CCOCC2)O1 ZINC001594648262 956452640 /nfs/dbraw/zinc/45/26/40/956452640.db2.gz VYQQJXQAKPTKKZ-ZJUUUORDSA-N -1 0 300.311 -0.889 20 0 DBADRM COCC(COC)NC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001593958173 956458235 /nfs/dbraw/zinc/45/82/35/956458235.db2.gz QOYGLXGHCJOQJU-ZDUSSCGKSA-N -1 0 320.342 -0.841 20 0 DBADRM NC(=O)c1cc(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)nc(Cl)n1 ZINC001594649146 956459309 /nfs/dbraw/zinc/45/93/09/956459309.db2.gz YRDIFUCCJRAIIR-QTTZVWFDSA-N -1 0 312.713 -0.234 20 0 DBADRM COCC(COC)N1CCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC001593958321 956460275 /nfs/dbraw/zinc/46/02/75/956460275.db2.gz YHNPFIWUIPIELS-UHFFFAOYSA-N -1 0 302.371 -0.097 20 0 DBADRM COC[C@@H](CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)OC ZINC001593958290 956460505 /nfs/dbraw/zinc/46/05/05/956460505.db2.gz WQRAYVFJJADRQH-VHSXEESVSA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@@H](SCCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC001589169701 956462540 /nfs/dbraw/zinc/46/25/40/956462540.db2.gz YQGIOWSNSAJWRS-SSDOTTSWSA-N -1 0 312.351 -0.360 20 0 DBADRM COC[C@@]1(C(=O)N2CCO[C@](COC)(C(=O)[O-])C2)CCOC1 ZINC001593958555 956464515 /nfs/dbraw/zinc/46/45/15/956464515.db2.gz GVDOHVAJYINILH-UONOGXRCSA-N -1 0 317.338 -0.632 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccccn2)C1 ZINC001593958705 956465980 /nfs/dbraw/zinc/46/59/80/956465980.db2.gz IUIQLVCVOGUGHJ-AWEZNQCLSA-N -1 0 307.306 -0.030 20 0 DBADRM NC(=O)c1ccc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)cn1 ZINC001594649937 956466088 /nfs/dbraw/zinc/46/60/88/956466088.db2.gz GZZZSHJKBJHMHN-SECBINFHSA-N -1 0 320.305 -0.558 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H]2CCOC2)C1 ZINC001593959152 956469539 /nfs/dbraw/zinc/46/95/39/956469539.db2.gz SBUVFBSGELPYQT-IINYFYTJSA-N -1 0 314.338 -0.911 20 0 DBADRM NC(=O)c1ccc(COC(=O)c2cn(CC(=O)[O-])nn2)cc1 ZINC001594650666 956472597 /nfs/dbraw/zinc/47/25/97/956472597.db2.gz JDVXOUVEZIYIIK-UHFFFAOYSA-N -1 0 304.262 -0.181 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001593960144 956479421 /nfs/dbraw/zinc/47/94/21/956479421.db2.gz NPFUJJNPUWTJGI-YMTOWFKASA-N -1 0 324.337 -0.504 20 0 DBADRM NC(=O)c1ncccc1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001594653118 956484636 /nfs/dbraw/zinc/48/46/36/956484636.db2.gz FDDIAXXRSCVSOJ-UHFFFAOYSA-N -1 0 307.306 -0.208 20 0 DBADRM NC(=O)c1cnc(C(=O)OCC(=O)NCC(=O)[O-])c(Cl)c1 ZINC001594653476 956487370 /nfs/dbraw/zinc/48/73/70/956487370.db2.gz MVXJEWCLHQILSO-UHFFFAOYSA-N -1 0 315.669 -0.809 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001594653799 956491189 /nfs/dbraw/zinc/49/11/89/956491189.db2.gz FLJVVZBAZXVGNA-JOYOIKCWSA-N -1 0 320.367 -0.853 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)COCc2nncn2C)C1 ZINC001593961832 956492063 /nfs/dbraw/zinc/49/20/63/956492063.db2.gz RWXMOZCJPVRRDC-ZDUSSCGKSA-N -1 0 312.326 -0.719 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)COCc2nncn2C)C1 ZINC001593961831 956492090 /nfs/dbraw/zinc/49/20/90/956492090.db2.gz RWXMOZCJPVRRDC-CYBMUJFWSA-N -1 0 312.326 -0.719 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001594653993 956492398 /nfs/dbraw/zinc/49/23/98/956492398.db2.gz IMLRKDXCTBQXQM-ZETCQYMHSA-N -1 0 316.339 -0.609 20 0 DBADRM NC(=O)c1ncn(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])n1 ZINC001594654495 956495298 /nfs/dbraw/zinc/49/52/98/956495298.db2.gz PNUTWVHGLMKWHX-BBBLOLIVSA-N -1 0 321.337 -0.379 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001594654261 956495895 /nfs/dbraw/zinc/49/58/95/956495895.db2.gz OFCHYISNAFJOJV-VGMNWLOBSA-N -1 0 305.356 -0.688 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)C1 ZINC001594654768 956498561 /nfs/dbraw/zinc/49/85/61/956498561.db2.gz WVHJVFUXPMQNBR-QMMMGPOBSA-N -1 0 314.323 -0.326 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC001594654815 956499542 /nfs/dbraw/zinc/49/95/42/956499542.db2.gz ZKRKDUBEORHLSC-UHFFFAOYSA-N -1 0 313.335 -0.433 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCc2nnnn2C2CC2)C1 ZINC001593962425 956500386 /nfs/dbraw/zinc/50/03/86/956500386.db2.gz RHBJQJYMPVIRJJ-ZDUSSCGKSA-N -1 0 324.341 -0.359 20 0 DBADRM NS(=O)(=O)NC1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001594655341 956504485 /nfs/dbraw/zinc/50/44/85/956504485.db2.gz VHAQGEGTMNMPJS-UHFFFAOYSA-N -1 0 317.367 -0.809 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001594657077 956505514 /nfs/dbraw/zinc/50/55/14/956505514.db2.gz ALAGRCYFIAAEDV-BBBLOLIVSA-N -1 0 319.383 -0.440 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001594658135 956510844 /nfs/dbraw/zinc/51/08/44/956510844.db2.gz VULVPVBFZMYPHI-NSHDSACASA-N -1 0 308.356 -0.805 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCC2(C(=O)[O-])CCC2)cn1 ZINC001594660435 956530203 /nfs/dbraw/zinc/53/02/03/956530203.db2.gz JHWBEZFABUTFPB-UHFFFAOYSA-N -1 0 313.335 -0.286 20 0 DBADRM NS(=O)(=O)c1cnn(CC(=O)NCCCCCC(=O)[O-])c1 ZINC001594661239 956539558 /nfs/dbraw/zinc/53/95/58/956539558.db2.gz SGTKIOULWKEBRK-UHFFFAOYSA-N -1 0 318.355 -0.708 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cn1 ZINC001594661494 956540604 /nfs/dbraw/zinc/54/06/04/956540604.db2.gz UIURTCFLMVQZHG-APPZFPTMSA-N -1 0 313.335 -0.288 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)o1 ZINC001594661730 956543857 /nfs/dbraw/zinc/54/38/57/956543857.db2.gz XCEBFROJFVFJMF-UHFFFAOYSA-N -1 0 318.307 -0.709 20 0 DBADRM NS(=O)(=O)c1ccc(CCC(=O)OCC(=O)C(=O)[O-])cc1 ZINC001594661787 956543981 /nfs/dbraw/zinc/54/39/81/956543981.db2.gz ZALBSBIOQCLNOY-UHFFFAOYSA-N -1 0 315.303 -0.537 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)o1 ZINC001594661763 956544122 /nfs/dbraw/zinc/54/41/22/956544122.db2.gz YGPMGNSFKYWECL-RQJHMYQMSA-N -1 0 302.308 -0.090 20 0 DBADRM C[C@@H](c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C)S(C)(=O)=O ZINC001589182957 956544467 /nfs/dbraw/zinc/54/44/67/956544467.db2.gz WFDQUUQRIIFEKJ-JGVFFNPUSA-N -1 0 302.356 -0.168 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)CCN1C(=O)CCNC1=S ZINC001589184453 956552362 /nfs/dbraw/zinc/55/23/62/956552362.db2.gz WNCARRAKQTVYOP-ZDUSSCGKSA-N -1 0 313.379 -0.051 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@](O)(C(F)F)C2)C1 ZINC001589186697 956560510 /nfs/dbraw/zinc/56/05/10/956560510.db2.gz AKHIIAPUYCKBIY-OLZOCXBDSA-N -1 0 320.292 -0.462 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](n3cccn3)C2)C1 ZINC001589187595 956569680 /nfs/dbraw/zinc/56/96/80/956569680.db2.gz WPNREMGFAJMIAV-IAQYHMDHSA-N -1 0 320.349 -0.020 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)C1 ZINC001593967342 956569920 /nfs/dbraw/zinc/56/99/20/956569920.db2.gz GEMCEFLLAHFEBP-GYSYKLTISA-N -1 0 324.337 -0.463 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCCn2ccnc2)C1 ZINC001589187690 956571058 /nfs/dbraw/zinc/57/10/58/956571058.db2.gz CAKXYFBFJSNACT-CQSZACIVSA-N -1 0 308.338 -0.287 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)N=S(C)(C)=O)C1 ZINC001593967719 956576289 /nfs/dbraw/zinc/57/62/89/956576289.db2.gz MOIWAGHZAZUYJE-VIFPVBQESA-N -1 0 314.385 -0.618 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NC[C@@H]2CCCO2)CCO1 ZINC001593970501 956607485 /nfs/dbraw/zinc/60/74/85/956607485.db2.gz KIWNFVFQRSJDFR-GWCFXTLKSA-N -1 0 302.327 -0.323 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CC2OCCCO2)CCO1 ZINC001593970606 956609791 /nfs/dbraw/zinc/60/97/91/956609791.db2.gz AUYWHYTYXZQAQC-ZDUSSCGKSA-N -1 0 303.311 -0.532 20 0 DBADRM O=C([O-])c1ccc(/C=C\C(=O)NC[C@@]2(CO)COCCN2)o1 ZINC001594670215 956613739 /nfs/dbraw/zinc/61/37/39/956613739.db2.gz OUCAUHJQQDYZFG-CTGSTSKSSA-N -1 0 310.306 -0.542 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCc3cncn3C2)CCO1 ZINC001593971132 956617107 /nfs/dbraw/zinc/61/71/07/956617107.db2.gz FAWBGZYEUIOPLO-ABAIWWIYSA-N -1 0 323.349 -0.226 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)COCc2ccncc2)CCO1 ZINC001593971516 956623433 /nfs/dbraw/zinc/62/34/33/956623433.db2.gz CGUKPQYFZMXMHR-HNNXBMFYSA-N -1 0 324.333 -0.073 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCC[C@H](C)OC)CCO1 ZINC001593973031 956638512 /nfs/dbraw/zinc/63/85/12/956638512.db2.gz UVYPXVTVGQEOIH-GWCFXTLKSA-N -1 0 304.343 -0.077 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCC[C@H](C)OC)CCO1 ZINC001593973033 956638626 /nfs/dbraw/zinc/63/86/26/956638626.db2.gz UVYPXVTVGQEOIH-GXFFZTMASA-N -1 0 304.343 -0.077 20 0 DBADRM C[C@]1(C(N)=O)CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001589203571 956648996 /nfs/dbraw/zinc/64/89/96/956648996.db2.gz PXCCFUBZFRIQMV-AWEZNQCLSA-N -1 0 320.305 -0.558 20 0 DBADRM CC1(C(N)=O)CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC001589203901 956651603 /nfs/dbraw/zinc/65/16/03/956651603.db2.gz ZCWHLRQLCYMBKA-UHFFFAOYSA-N -1 0 319.317 -0.414 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2nnc([C@@H]3CCC(=O)N3)n2C)C1 ZINC001593974471 956651961 /nfs/dbraw/zinc/65/19/61/956651961.db2.gz MNVINEBESOTOSZ-XPTSAGLGSA-N -1 0 323.353 -0.306 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H](O)CCSC)CCO1 ZINC001593975507 956660322 /nfs/dbraw/zinc/66/03/22/956660322.db2.gz QMRPVOAIYYJXLP-SKDRFNHKSA-N -1 0 307.368 -0.571 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H](C)c2cnccn2)CCO1 ZINC001593975520 956661628 /nfs/dbraw/zinc/66/16/28/956661628.db2.gz QTEZWZBABXMSOH-QMTHXVAHSA-N -1 0 309.322 -0.091 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CCOCC(F)F)CCO1 ZINC001593976389 956667370 /nfs/dbraw/zinc/66/73/70/956667370.db2.gz XWFJLUSMYWYLOI-LBPRGKRZSA-N -1 0 311.281 -0.013 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001594677227 956668880 /nfs/dbraw/zinc/66/88/80/956668880.db2.gz KAEMGLJDBAKLMR-KWBADKCTSA-N -1 0 317.363 -0.629 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001589210880 956685300 /nfs/dbraw/zinc/68/53/00/956685300.db2.gz DLQQZAGIJJTHCO-UONOGXRCSA-N -1 0 309.322 -0.312 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCc2nonc2C)CCO1 ZINC001593979322 956698213 /nfs/dbraw/zinc/69/82/13/956698213.db2.gz VZYRMEIFKFIPKZ-GFCCVEGCSA-N -1 0 314.298 -0.610 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001589212412 956703174 /nfs/dbraw/zinc/70/31/74/956703174.db2.gz PVXFCPWDVSEQLA-QLFBSQMISA-N -1 0 308.334 -0.002 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2ccc(=O)n(C)c2)CCO1 ZINC001593980147 956709117 /nfs/dbraw/zinc/70/91/17/956709117.db2.gz NIINBSSANQGXKL-CQSZACIVSA-N -1 0 310.306 -0.673 20 0 DBADRM O=C([O-])C1(NC(=O)CCN2C(=O)CCNC2=S)CCCC1 ZINC001594686778 956715123 /nfs/dbraw/zinc/71/51/23/956715123.db2.gz JJDBHJWKQPVVQY-UHFFFAOYSA-N -1 0 313.379 -0.003 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(c2nnnn2CCCCF)CCO1 ZINC001593984076 956742841 /nfs/dbraw/zinc/74/28/41/956742841.db2.gz FLBSNBSYSPZNSV-GFCCVEGCSA-N -1 0 317.321 -0.271 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(S(=O)(=O)N2CCCCC2)CCO1 ZINC001593984232 956745379 /nfs/dbraw/zinc/74/53/79/956745379.db2.gz OPJPJVGQEMPSKE-LBPRGKRZSA-N -1 0 322.383 -0.481 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cnc3nccn3c2)CCO1 ZINC001593984266 956746935 /nfs/dbraw/zinc/74/69/35/956746935.db2.gz VWGBCKUJTVZOOU-CQSZACIVSA-N -1 0 320.305 -0.329 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(S(=O)(=O)C[C@@H]2CCOC2)CCO1 ZINC001593984499 956749910 /nfs/dbraw/zinc/74/99/10/956749910.db2.gz QIANBYBWOZLBPM-PWSUYJOCSA-N -1 0 323.367 -0.845 20 0 DBADRM O=C(CN1C(=O)CCC1=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001594691175 956750178 /nfs/dbraw/zinc/75/01/78/956750178.db2.gz FKABRTQUKVWPNN-UHFFFAOYSA-N -1 0 322.277 -0.801 20 0 DBADRM O=C([O-])c1c[nH]nc1NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001594691489 956752524 /nfs/dbraw/zinc/75/25/24/956752524.db2.gz LXURGSFCMYJXMU-OCAPTIKFSA-N -1 0 318.289 -0.002 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@@H](O)CC2(O)CCCC2)CCO1 ZINC001593985430 956767999 /nfs/dbraw/zinc/76/79/99/956767999.db2.gz GRSVLLGLKAALFN-WFASDCNBSA-N -1 0 317.382 -0.156 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)CN2CCS(=O)(=O)CC2)c1 ZINC001594696322 956773702 /nfs/dbraw/zinc/77/37/02/956773702.db2.gz PDVQUAYTBIENAL-UHFFFAOYSA-N -1 0 313.335 -0.551 20 0 DBADRM O=C([O-])C1(CNC(=O)CNC(=O)c2ncccc2O)CCC1 ZINC001594697137 956781786 /nfs/dbraw/zinc/78/17/86/956781786.db2.gz UZFRCAAOVGLZBH-UHFFFAOYSA-N -1 0 307.306 -0.112 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(CCCS(=O)(=O)N(C)C)CCO1 ZINC001593986320 956788467 /nfs/dbraw/zinc/78/84/67/956788467.db2.gz TXGJHBJFMAGFHN-LBPRGKRZSA-N -1 0 324.399 -0.930 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC(=O)c1cncs1 ZINC001594697940 956791792 /nfs/dbraw/zinc/79/17/92/956791792.db2.gz SYIKUVPKTQJTPH-ZETCQYMHSA-N -1 0 319.364 -0.291 20 0 DBADRM O=C([O-])c1ccc(C(=O)OCC(=O)NC(=O)NC2CC2)nc1 ZINC001594699382 956802499 /nfs/dbraw/zinc/80/24/99/956802499.db2.gz XXHIDHZTMNXTIM-UHFFFAOYSA-N -1 0 307.262 -0.075 20 0 DBADRM COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)[C@H](OC)C(=O)[O-])O1 ZINC001593988710 956811122 /nfs/dbraw/zinc/81/11/22/956811122.db2.gz KNXZGSOXRHJRQL-QCNOEVLYSA-N -1 0 317.338 -0.493 20 0 DBADRM COCC1(O)CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001593988865 956812223 /nfs/dbraw/zinc/81/22/23/956812223.db2.gz OUGGYUVSLSLQCO-UHFFFAOYSA-N -1 0 301.339 -0.132 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)CCO1 ZINC001593989216 956815057 /nfs/dbraw/zinc/81/50/57/956815057.db2.gz BULZPWBTEZLNSB-LLVKDONJSA-N -1 0 323.305 -0.408 20 0 DBADRM COC[C@@H]1CCN1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593989559 956820131 /nfs/dbraw/zinc/82/01/31/956820131.db2.gz TTYKWMFXEWPZBK-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CSc1cccc[n+]1[O-])C2 ZINC001594702809 956821310 /nfs/dbraw/zinc/82/13/10/956821310.db2.gz IGSRBGBGCXHGDV-HZMBPMFUSA-N -1 0 324.358 -0.028 20 0 DBADRM COCC[C@H](C)NC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001593990069 956830215 /nfs/dbraw/zinc/83/02/15/956830215.db2.gz SGUWWUWWALRXMQ-GWCFXTLKSA-N -1 0 304.343 -0.077 20 0 DBADRM CC1(C)CN(CCS(=O)(=O)CC(=O)[O-])[C@@H]2COC[C@H]2O1 ZINC001589232351 956835975 /nfs/dbraw/zinc/83/59/75/956835975.db2.gz RSTGSFULPXKQMT-NXEZZACHSA-N -1 0 307.368 -0.636 20 0 DBADRM CC1([C@]2(C)NC(=O)N(CCS(=O)(=O)CC(=O)[O-])C2=O)CC1 ZINC001589238512 956849900 /nfs/dbraw/zinc/84/99/00/956849900.db2.gz UGWRZTOMSYZTSU-GFCCVEGCSA-N -1 0 318.351 -0.404 20 0 DBADRM COCCC1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC001593992889 956854780 /nfs/dbraw/zinc/85/47/80/956854780.db2.gz JNOWLBGXZBORKQ-NSHDSACASA-N -1 0 300.355 -0.046 20 0 DBADRM COCC[C@H]1COCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593992972 956855020 /nfs/dbraw/zinc/85/50/20/956855020.db2.gz LRTFTXIBLOTMLF-QWRGUYRKSA-N -1 0 322.383 -0.483 20 0 DBADRM CC1(C)OCC(NC(=O)C(=O)Nc2cccnc2C(=O)[O-])CO1 ZINC001589239454 956862426 /nfs/dbraw/zinc/86/24/26/956862426.db2.gz GLHALECZNMTBLZ-UHFFFAOYSA-N -1 0 323.305 -0.014 20 0 DBADRM COCCCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593994390 956866397 /nfs/dbraw/zinc/86/63/97/956866397.db2.gz AFKUUPZCYNBJKW-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM COCCCNC(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001593994454 956866859 /nfs/dbraw/zinc/86/68/59/956866859.db2.gz GDQVOAMESQMJFK-CYBMUJFWSA-N -1 0 302.327 -0.911 20 0 DBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2c[nH]nc2C(=O)[O-])C1=O ZINC001589239928 956871182 /nfs/dbraw/zinc/87/11/82/956871182.db2.gz MOINGVKPOSMWLT-ZDUSSCGKSA-N -1 0 321.293 -0.233 20 0 DBADRM COCCN(C)Cc1cn([C@H]2CCN(CC(=O)[O-])C2=O)nn1 ZINC001593995472 956885651 /nfs/dbraw/zinc/88/56/51/956885651.db2.gz AKDCYVUHUNWVIG-NSHDSACASA-N -1 0 311.342 -0.786 20 0 DBADRM COCCCn1nc(C(=O)Nc2n[nH]cc2C(=O)[O-])ccc1=O ZINC001593995459 956886591 /nfs/dbraw/zinc/88/65/91/956886591.db2.gz ZZYPQQUQRWWYPC-UHFFFAOYSA-N -1 0 321.293 -0.047 20 0 DBADRM C[C@]1(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCOC1 ZINC001589244341 956899538 /nfs/dbraw/zinc/89/95/38/956899538.db2.gz CRLGUIBWNPGHHX-GFCCVEGCSA-N -1 0 319.379 -0.191 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)Cc1ccc(C(=O)OC)nc1 ZINC001593996900 956902682 /nfs/dbraw/zinc/90/26/82/956902682.db2.gz JLEWZYPFVWMPEN-UHFFFAOYSA-N -1 0 310.306 -0.030 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@](C)(CO)C2)C1 ZINC001589245618 956912498 /nfs/dbraw/zinc/91/24/98/956912498.db2.gz LSDDBQYXHMSEGL-GJZGRUSLSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])[C@]1(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CCCO1 ZINC001594714973 956916655 /nfs/dbraw/zinc/91/66/55/956916655.db2.gz RTUMJCNXYRBQQW-CQSZACIVSA-N -1 0 322.321 -0.266 20 0 DBADRM CC1(CO)CN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001589245884 956917230 /nfs/dbraw/zinc/91/72/30/956917230.db2.gz UKZXPSJZFILGTL-SNVBAGLBSA-N -1 0 313.354 -0.524 20 0 DBADRM CC1(CS(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)CCOCC1 ZINC001589246064 956920179 /nfs/dbraw/zinc/92/01/79/956920179.db2.gz XTQJYKZUXUXJDR-GFCCVEGCSA-N -1 0 307.368 -0.034 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC001594001467 956933584 /nfs/dbraw/zinc/93/35/84/956933584.db2.gz RFLZUPJGOBYVCR-ZJUUUORDSA-N -1 0 302.327 -0.770 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCC(C)(O)CC1 ZINC001594001789 956934428 /nfs/dbraw/zinc/93/44/28/956934428.db2.gz VWEGAXUSRYRYMZ-UHFFFAOYSA-N -1 0 316.354 -0.691 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC001594004630 956950527 /nfs/dbraw/zinc/95/05/27/956950527.db2.gz BDGBYKZRDGCMGA-VHSXEESVSA-N -1 0 317.342 -0.848 20 0 DBADRM C[C@@]1(O)CCCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001589249677 956951821 /nfs/dbraw/zinc/95/18/21/956951821.db2.gz CRIAHRMTIVIEAA-GFCCVEGCSA-N -1 0 319.379 -0.361 20 0 DBADRM C[C@@]1(c2ccc(C(=O)OCC(=O)C(=O)[O-])cc2)NC(=O)NC1=O ZINC001589252318 956959205 /nfs/dbraw/zinc/95/92/05/956959205.db2.gz BLSVDHRXABJVOQ-AWEZNQCLSA-N -1 0 320.257 -0.448 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCC[C@@]1(O)CCOC1 ZINC001594005387 956965762 /nfs/dbraw/zinc/96/57/62/956965762.db2.gz RFCDPSVDKXUGAO-CYBMUJFWSA-N -1 0 304.343 -0.339 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001594006584 956977276 /nfs/dbraw/zinc/97/72/76/956977276.db2.gz CFMUKPQFXDYUTA-GMXVVIOVSA-N -1 0 301.339 -0.012 20 0 DBADRM C[C@@]12COC[C@@H]1CN(C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C2 ZINC001589254387 956979632 /nfs/dbraw/zinc/97/96/32/956979632.db2.gz HSCCDBAQIIMMRF-LKFCYVNXSA-N -1 0 322.321 -0.599 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2ccc3n[nH]c(=S)n3c2)CCOC1 ZINC001594723769 956982078 /nfs/dbraw/zinc/98/20/78/956982078.db2.gz KKLUPMQRZMUXIG-GFCCVEGCSA-N -1 0 308.319 -0.009 20 0 DBADRM C[C@]12CN(C(=O)[C@@]3(C(=O)[O-])CCCO3)C[C@@]1(C)C(=O)NC2=O ZINC001589254949 956982965 /nfs/dbraw/zinc/98/29/65/956982965.db2.gz NGWVMAGNSVUHGD-HZSPNIEDSA-N -1 0 310.306 -0.869 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2ccc(Cn3ccnn3)o2)CCOC1 ZINC001594723899 956984017 /nfs/dbraw/zinc/98/40/17/956984017.db2.gz NOCBWVWYTDLNMI-CYBMUJFWSA-N -1 0 306.278 -0.107 20 0 DBADRM CC1=C(C(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@H](C)n2nnnc2N1C ZINC001589256451 956996511 /nfs/dbraw/zinc/99/65/11/956996511.db2.gz QNISVQWNXWVTFJ-DTWKUNHWSA-N -1 0 322.325 -0.730 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)Cc1noc(C)n1 ZINC001594011346 956999507 /nfs/dbraw/zinc/99/95/07/956999507.db2.gz KRCVLVARSCCKMI-UHFFFAOYSA-N -1 0 307.328 -0.369 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1 ZINC001594011347 956999779 /nfs/dbraw/zinc/99/97/79/956999779.db2.gz KXKYETOLSMLSBM-AOOOYVTPSA-N -1 0 323.367 -0.309 20 0 DBADRM CC1=C(C(=O)N2CCC[C@H](C(=O)[O-])C2)Cn2nnnc2N1C ZINC001589256845 957003553 /nfs/dbraw/zinc/00/35/53/957003553.db2.gz YNSICTYWCFNYLT-VIFPVBQESA-N -1 0 306.326 -0.280 20 0 DBADRM NS(=O)(=O)c1ccc(NCC(=O)NC2CC2)c(C(=O)[O-])c1 ZINC000013277611 957009524 /nfs/dbraw/zinc/00/95/24/957009524.db2.gz XXYCCQNHXUCGBL-UHFFFAOYSA-N -1 0 313.335 -0.277 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccccc1C(=O)[O-] ZINC001589257546 957011888 /nfs/dbraw/zinc/01/18/88/957011888.db2.gz AFAVQVZVDBEZQM-SECBINFHSA-N -1 0 319.317 -0.352 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)Nc2n[nH]nc2C(=O)NC2CC2)C1 ZINC001594730967 957039432 /nfs/dbraw/zinc/03/94/32/957039432.db2.gz HSRHPFOJIRMDLT-ZCFIWIBFSA-N -1 0 308.298 -0.365 20 0 DBADRM COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC)C(=O)[O-] ZINC001594016289 957040816 /nfs/dbraw/zinc/04/08/16/957040816.db2.gz YGDAIDXNASYLBN-UWVGGRQHSA-N -1 0 304.343 -0.621 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)[O-])nn2C)CCS1(=O)=O ZINC001589261955 957041502 /nfs/dbraw/zinc/04/15/02/957041502.db2.gz ITCDTSIZUWZXDD-JGVFFNPUSA-N -1 0 315.351 -0.234 20 0 DBADRM COCCOC[C@H]1CC[N@@H+]([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001594017300 957042121 /nfs/dbraw/zinc/04/21/21/957042121.db2.gz FISACDJRFWUWMJ-RYUDHWBXSA-N -1 0 300.355 -0.343 20 0 DBADRM COCCOCCOCCCN1CCN(C(=O)C(=O)[O-])CC1 ZINC001594017255 957043097 /nfs/dbraw/zinc/04/30/97/957043097.db2.gz BWNINWJLTWJPJY-UHFFFAOYSA-N -1 0 318.370 -0.715 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC001594731477 957044823 /nfs/dbraw/zinc/04/48/23/957044823.db2.gz WMHNZRWUTKKECN-MWLCHTKSSA-N -1 0 310.354 -0.587 20 0 DBADRM COCCOCCc1ncc(C(=O)NC[C@@](C)(O)C(=O)[O-])[nH]1 ZINC001594017644 957045448 /nfs/dbraw/zinc/04/54/48/957045448.db2.gz QRLVWVQYXGQXDC-CYBMUJFWSA-N -1 0 315.326 -0.819 20 0 DBADRM C[C@@H]1[C@H](CO)CCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001589262568 957046417 /nfs/dbraw/zinc/04/64/17/957046417.db2.gz PKQBTAMXDVNYRG-MNOVXSKESA-N -1 0 304.343 -0.484 20 0 DBADRM C[C@@H]1[C@@H](CO)CCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001589262567 957046486 /nfs/dbraw/zinc/04/64/86/957046486.db2.gz PKQBTAMXDVNYRG-GHMZBOCLSA-N -1 0 304.343 -0.484 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)C2(C(=O)[O-])CCOCC2)CCS1(=O)=O ZINC001589262545 957046850 /nfs/dbraw/zinc/04/68/50/957046850.db2.gz OTKFZOGRKRQXMU-VHSXEESVSA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589262592 957049238 /nfs/dbraw/zinc/04/92/38/957049238.db2.gz PRPQKDMZQAHJME-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001589262719 957050826 /nfs/dbraw/zinc/05/08/26/957050826.db2.gz SMGFJUWNSSTGON-SEJYDQARSA-N -1 0 300.340 -0.656 20 0 DBADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001589262721 957050914 /nfs/dbraw/zinc/05/09/14/957050914.db2.gz SMGFJUWNSSTGON-UWCLWIGYSA-N -1 0 300.340 -0.656 20 0 DBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)N[C@H](C)CC(=O)[O-] ZINC001594018315 957053258 /nfs/dbraw/zinc/05/32/58/957053258.db2.gz QXIRBCAVRYCBOZ-GMTAPVOTSA-N -1 0 304.343 -0.031 20 0 DBADRM COCCO[C@H]1CCCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC001594018329 957053457 /nfs/dbraw/zinc/05/34/57/957053457.db2.gz RKDXYYPFGVYRMB-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)N[C@@H](C)CC(=O)[O-] ZINC001594018313 957053992 /nfs/dbraw/zinc/05/39/92/957053992.db2.gz QXIRBCAVRYCBOZ-GARJFASQSA-N -1 0 304.343 -0.031 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)C1 ZINC001594734617 957057349 /nfs/dbraw/zinc/05/73/49/957057349.db2.gz FPKHZVSNDGBRHS-IUCAKERBSA-N -1 0 319.308 -0.625 20 0 DBADRM COCCO[C@H]1COCC[C@H]1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594018639 957060216 /nfs/dbraw/zinc/06/02/16/957060216.db2.gz WYOBERIYLUQRTH-KKOKHZNYSA-N -1 0 316.354 -0.031 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001594734889 957060769 /nfs/dbraw/zinc/06/07/69/957060769.db2.gz MSNMRLQLURHEMO-BBBLOLIVSA-N -1 0 321.337 -0.077 20 0 DBADRM COCCO[C@H]1C[C@H](CO)CN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC001594018737 957060915 /nfs/dbraw/zinc/06/09/15/957060915.db2.gz MLNZDSABSGTETN-QWRGUYRKSA-N -1 0 301.339 -0.276 20 0 DBADRM COCCONC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594018719 957061111 /nfs/dbraw/zinc/06/11/11/957061111.db2.gz GILZVCPDEXKRIA-VIFPVBQESA-N -1 0 303.315 -0.671 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589263418 957065920 /nfs/dbraw/zinc/06/59/20/957065920.db2.gz LYGSYDSJULQHIJ-SECBINFHSA-N -1 0 307.306 -0.717 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ccnn2C)C1 ZINC001589265341 957075616 /nfs/dbraw/zinc/07/56/16/957075616.db2.gz FNVYNAPYTUYFOL-VHSXEESVSA-N -1 0 308.338 -0.395 20 0 DBADRM COCCOc1ccc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)nn1 ZINC001594020415 957077417 /nfs/dbraw/zinc/07/74/17/957077417.db2.gz UROVPQTVTONIEN-SNVBAGLBSA-N -1 0 324.293 -0.653 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001594021513 957083549 /nfs/dbraw/zinc/08/35/49/957083549.db2.gz DCJFTRNTMOFQBM-NXEZZACHSA-N -1 0 307.368 -0.241 20 0 DBADRM CC(C)n1cnnc1SCC(=O)NCC(=O)NCC(=O)[O-] ZINC000035384010 957206463 /nfs/dbraw/zinc/20/64/63/957206463.db2.gz ATYNNZDYOAMCRO-UHFFFAOYSA-N -1 0 315.355 -0.732 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CCN(CCO)CC1 ZINC000035609607 957213913 /nfs/dbraw/zinc/21/39/13/957213913.db2.gz IMUSODDLMUPKGT-UHFFFAOYSA-N -1 0 314.363 -0.317 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(CCO)CC2)c[nH]1 ZINC000035609606 957213996 /nfs/dbraw/zinc/21/39/96/957213996.db2.gz ZNMDVPNBLGZWJR-UHFFFAOYSA-N -1 0 303.340 -0.989 20 0 DBADRM CCNC(=O)NC(=O)CSc1[nH]c(=O)nc(C)c1C(=O)[O-] ZINC000036970683 957251620 /nfs/dbraw/zinc/25/16/20/957251620.db2.gz QFXOMQOBEIINFE-UHFFFAOYSA-N -1 0 314.323 -0.286 20 0 DBADRM CC(C)(C)C(=O)NCCCC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000036976087 957253607 /nfs/dbraw/zinc/25/36/07/957253607.db2.gz LMHQNBZSXVFBLX-NXEZZACHSA-N -1 0 300.355 -0.025 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000037226203 957266675 /nfs/dbraw/zinc/26/66/75/957266675.db2.gz JDHUTPWIEQTOAG-JTQLQIEISA-N -1 0 317.319 -0.662 20 0 DBADRM CNC(=O)CN(C)c1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000037250201 957266874 /nfs/dbraw/zinc/26/68/74/957266874.db2.gz OCDLEYAKINAIII-UHFFFAOYSA-N -1 0 301.324 -0.786 20 0 DBADRM Cc1nc(=O)[nH]c(SCC(=O)N2CCNC2=O)c1C(=O)[O-] ZINC000037429924 957284893 /nfs/dbraw/zinc/28/48/93/957284893.db2.gz NGNLFXCXZLOLMP-UHFFFAOYSA-N -1 0 312.307 -0.580 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)[O-] ZINC000037431757 957285506 /nfs/dbraw/zinc/28/55/06/957285506.db2.gz PTIJKKYYQPNWNT-MUWHJKNJSA-N -1 0 320.323 -0.906 20 0 DBADRM COC(=O)CN(C(C)C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037837272 957333269 /nfs/dbraw/zinc/33/32/69/957333269.db2.gz IINOREPVSRWPMR-UHFFFAOYSA-N -1 0 322.383 -0.089 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N(CCO)CCO)cc1 ZINC000037838768 957333789 /nfs/dbraw/zinc/33/37/89/957333789.db2.gz OXSKSPGGFUZFFC-UHFFFAOYSA-N -1 0 319.335 -0.875 20 0 DBADRM C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037838279 957333826 /nfs/dbraw/zinc/33/38/26/957333826.db2.gz FIXZEUSBDGYPQW-NKWVEPMBSA-N -1 0 316.339 -0.618 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCc2ccncc2)CCOCC1 ZINC001327054040 957336266 /nfs/dbraw/zinc/33/62/66/957336266.db2.gz HLLRHQOMNUXHSJ-UHFFFAOYSA-N -1 0 321.333 -0.305 20 0 DBADRM CCCN(CC(=O)NC)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000038100406 957355939 /nfs/dbraw/zinc/35/59/39/957355939.db2.gz FQAYQYGECCPBQR-UHFFFAOYSA-N -1 0 321.399 -0.514 20 0 DBADRM C[C@@]12CCC(=O)N1[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])CS2 ZINC000040394126 957361906 /nfs/dbraw/zinc/36/19/06/957361906.db2.gz LTFVZOOWRIBFIM-LOKDSWTASA-N -1 0 314.363 -0.513 20 0 DBADRM NS(=O)(=O)CCNC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000040578903 957378477 /nfs/dbraw/zinc/37/84/77/957378477.db2.gz GFBBRUAWERKQHV-UHFFFAOYSA-N -1 0 301.324 -0.276 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000043509732 957433652 /nfs/dbraw/zinc/43/36/52/957433652.db2.gz SLNAFXSCEOTMQI-LBPRGKRZSA-N -1 0 300.336 -0.398 20 0 DBADRM COc1ccc(S(=O)(=O)N2CCNCC2)cc1C(=O)[O-] ZINC000044382159 957444850 /nfs/dbraw/zinc/44/48/50/957444850.db2.gz PYIWBVYYFLVBTN-UHFFFAOYSA-N -1 0 300.336 -0.013 20 0 DBADRM NS(=O)(=O)CCCNC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000050930920 957501076 /nfs/dbraw/zinc/50/10/76/957501076.db2.gz IUMQKNZDXHPBSB-UHFFFAOYSA-N -1 0 321.399 -0.049 20 0 DBADRM COCC[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000052784641 957512191 /nfs/dbraw/zinc/51/21/91/957512191.db2.gz QCYRYXVRKJQUFZ-SNVBAGLBSA-N -1 0 322.383 -0.736 20 0 DBADRM COCC[C@@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000052787337 957514591 /nfs/dbraw/zinc/51/45/91/957514591.db2.gz DZKZSCVWZMFQLD-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM Cn1c(=O)[nH]nc1SCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000057439923 957550800 /nfs/dbraw/zinc/55/08/00/957550800.db2.gz VSTBTNNDITUMNK-UHFFFAOYSA-N -1 0 300.340 -0.476 20 0 DBADRM NC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000059398767 957561931 /nfs/dbraw/zinc/56/19/31/957561931.db2.gz UJLGSCUMSWPCBI-NSHDSACASA-N -1 0 304.306 -0.052 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCNC(=O)CC1 ZINC000062100997 957599801 /nfs/dbraw/zinc/59/98/01/957599801.db2.gz LCHSLHCHXMDDMX-UHFFFAOYSA-N -1 0 302.308 -0.203 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000390370538 972278909 /nfs/dbraw/zinc/27/89/09/972278909.db2.gz UNLBVTKTFQOMBI-BDAKNGLRSA-N -1 0 307.372 -0.522 20 0 DBADRM CCN(C(C)(C)C(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000063142722 957635973 /nfs/dbraw/zinc/63/59/73/957635973.db2.gz SHJRPAOJEAGZOX-UHFFFAOYSA-N -1 0 301.386 -0.454 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC000069145620 957650172 /nfs/dbraw/zinc/65/01/72/957650172.db2.gz IVAIHFFVVZDSON-IUCAKERBSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC000069145623 957650293 /nfs/dbraw/zinc/65/02/93/957650293.db2.gz IVAIHFFVVZDSON-RKDXNWHRSA-N -1 0 306.340 -0.941 20 0 DBADRM COCCCNC(=O)[C@H](C)SC[C@H](NC(C)=O)C(=O)[O-] ZINC000069555132 957652288 /nfs/dbraw/zinc/65/22/88/957652288.db2.gz MHZLBGYQVSJPFV-WPRPVWTQSA-N -1 0 306.384 -0.150 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)SC[C@H](NC(C)=O)C(=O)[O-] ZINC000069556468 957654134 /nfs/dbraw/zinc/65/41/34/957654134.db2.gz SIMNNECVBYOIPA-SVRRBLITSA-N -1 0 305.356 -0.457 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)c1C(=O)[O-] ZINC000070446458 957672168 /nfs/dbraw/zinc/67/21/68/957672168.db2.gz DPLADOWGAJCJGB-ZCFIWIBFSA-N -1 0 302.312 -0.945 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCC[C@H](CO)C2)c1C(=O)[O-] ZINC000070446505 957672686 /nfs/dbraw/zinc/67/26/86/957672686.db2.gz HHQHGNFUNRYUMI-QMMMGPOBSA-N -1 0 303.340 -0.191 20 0 DBADRM COCCSCCCN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594024155 957691324 /nfs/dbraw/zinc/69/13/24/957691324.db2.gz OUJKHCLYKIVXRO-JTQLQIEISA-N -1 0 311.425 -0.060 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCCc2cnc(=O)[nH]c2)c1=O ZINC001574745076 957701055 /nfs/dbraw/zinc/70/10/55/957701055.db2.gz HVPTVTHLPZFVDA-UHFFFAOYSA-N -1 0 318.289 -0.599 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cn1 ZINC001594024923 957702987 /nfs/dbraw/zinc/70/29/87/957702987.db2.gz BFOQWMBJOGMNAD-SNVBAGLBSA-N -1 0 310.310 -0.456 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])n1 ZINC001594025171 957707717 /nfs/dbraw/zinc/70/77/17/957707717.db2.gz JXDRSAGYVXVCBR-VIFPVBQESA-N -1 0 312.326 -0.353 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CCOCC(F)(F)F ZINC000071238633 957709611 /nfs/dbraw/zinc/70/96/11/957709611.db2.gz NNEHBGCXCUIWLA-ZETCQYMHSA-N -1 0 312.244 -0.243 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000071271344 957715926 /nfs/dbraw/zinc/71/59/26/957715926.db2.gz JAZAJRJPFOXJTH-LLVKDONJSA-N -1 0 303.336 -0.189 20 0 DBADRM Cn1nccc1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000071333868 957718524 /nfs/dbraw/zinc/71/85/24/957718524.db2.gz RRFXDLVQXNONAW-UHFFFAOYSA-N -1 0 302.356 -0.449 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1=O ZINC001574748577 957719017 /nfs/dbraw/zinc/71/90/17/957719017.db2.gz WOFHJGMYUXYCAD-OQEOFVATSA-N -1 0 304.302 -0.162 20 0 DBADRM COCn1ccc(C(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)n1 ZINC001594031014 957758096 /nfs/dbraw/zinc/75/80/96/957758096.db2.gz FEFRUBAUFTWFDQ-ZDUSSCGKSA-N -1 0 313.310 -0.571 20 0 DBADRM COCc1nnc2n1CCN(C(=O)[C@]1(C(=O)[O-])CCCO1)C2 ZINC001594031089 957759362 /nfs/dbraw/zinc/75/93/62/957759362.db2.gz ITRJMIIGRVUFFR-ZDUSSCGKSA-N -1 0 310.310 -0.600 20 0 DBADRM COCn1nccc1S(=O)(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001594031421 957763911 /nfs/dbraw/zinc/76/39/11/957763911.db2.gz SWXHBLFZFRBXIN-LLVKDONJSA-N -1 0 303.340 -0.028 20 0 DBADRM CON(C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)[C@@H](C)C(=O)[O-] ZINC001594032832 957776350 /nfs/dbraw/zinc/77/63/50/957776350.db2.gz HTKGEZXAJUKYMC-DTWKUNHWSA-N -1 0 310.310 -0.364 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000083672002 957832214 /nfs/dbraw/zinc/83/22/14/957832214.db2.gz VHONCDCAFLWDGI-MRVPVSSYSA-N -1 0 307.324 -0.120 20 0 DBADRM CON(C(=O)c1ccc(S(N)(=O)=O)s1)[C@H](C)C(=O)[O-] ZINC001594039153 957846129 /nfs/dbraw/zinc/84/61/29/957846129.db2.gz KALKPWDZBPNVJL-RXMQYKEDSA-N -1 0 308.337 -0.128 20 0 DBADRM CON(C)C(=O)C1CCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC001594039706 957853754 /nfs/dbraw/zinc/85/37/54/957853754.db2.gz FENDXKPHHQYXOS-UHFFFAOYSA-N -1 0 317.342 -0.471 20 0 DBADRM CON(C(=O)c1cc(S(N)(=O)=O)c(C)o1)[C@H](C)C(=O)[O-] ZINC001594039924 957855149 /nfs/dbraw/zinc/85/51/49/957855149.db2.gz RRASLEOCLZFLQO-RXMQYKEDSA-N -1 0 306.296 -0.288 20 0 DBADRM CON(C)CCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001594042426 957887230 /nfs/dbraw/zinc/88/72/30/957887230.db2.gz QMYYXJQXKXTTRY-UHFFFAOYSA-N -1 0 309.322 -0.138 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])C[C@H]1O ZINC001594042864 957895488 /nfs/dbraw/zinc/89/54/88/957895488.db2.gz ODNSIBQBDWNJTO-VXGBXAGGSA-N -1 0 322.317 -0.530 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc(C)n1 ZINC001594303446 957932340 /nfs/dbraw/zinc/93/23/40/957932340.db2.gz PRNAQWQXELKVCS-LBPRGKRZSA-N -1 0 321.333 -0.373 20 0 DBADRM Cc1cc(CN2CCN([C@H]3CCN(CC(=O)[O-])C3=O)CC2)on1 ZINC001594303454 957932840 /nfs/dbraw/zinc/93/28/40/957932840.db2.gz QPHGVUCPCZMPHJ-ZDUSSCGKSA-N -1 0 322.365 -0.214 20 0 DBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@]1(C(=O)[O-])CCOC1 ZINC000085852890 957948219 /nfs/dbraw/zinc/94/82/19/957948219.db2.gz BQWXFXDVJNRLOV-KCJUWKMLSA-N -1 0 323.392 -0.733 20 0 DBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@@]1(C(=O)[O-])CCOC1 ZINC000085852896 957948426 /nfs/dbraw/zinc/94/84/26/957948426.db2.gz BQWXFXDVJNRLOV-KWQFWETISA-N -1 0 323.392 -0.733 20 0 DBADRM COc1c[nH]c(C(=O)NCCOCCOCC(=O)[O-])cc1=O ZINC001594047949 957948872 /nfs/dbraw/zinc/94/88/72/957948872.db2.gz NGEPIBYABFSYDK-UHFFFAOYSA-N -1 0 314.294 -0.769 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000390900978 972306743 /nfs/dbraw/zinc/30/67/43/972306743.db2.gz HMUMOWZXEKHASP-QMMMGPOBSA-N -1 0 322.321 -0.243 20 0 DBADRM COc1cc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)ncn1 ZINC001594051022 957991615 /nfs/dbraw/zinc/99/16/15/957991615.db2.gz WVJMGJRCGQGKSQ-SECBINFHSA-N -1 0 322.321 -0.319 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCCNC(=O)C1 ZINC000087885321 958034253 /nfs/dbraw/zinc/03/42/53/958034253.db2.gz OTEYZWFGBMIIKR-UHFFFAOYSA-N -1 0 302.308 -0.203 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC(C)(CO)CO)ccc1C(=O)[O-] ZINC001594313271 958048506 /nfs/dbraw/zinc/04/85/06/958048506.db2.gz CTEWDGBPBUZZHJ-UHFFFAOYSA-N -1 0 310.306 -0.509 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cnc1C ZINC001594313797 958051154 /nfs/dbraw/zinc/05/11/54/958051154.db2.gz RWJCAMCGSSNBFT-LLVKDONJSA-N -1 0 307.306 -0.051 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(CCO)CCCO)ccc1C(=O)[O-] ZINC001594313681 958052154 /nfs/dbraw/zinc/05/21/54/958052154.db2.gz PZFWCGUNCIIGCS-UHFFFAOYSA-N -1 0 324.333 -0.165 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c(=O)n(C)c1 ZINC001594313959 958054706 /nfs/dbraw/zinc/05/47/06/958054706.db2.gz XRFWUGQZTXQMNF-VIFPVBQESA-N -1 0 309.322 -0.189 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)CCCC(=O)[O-])cn(C)c1=O ZINC001594313966 958055057 /nfs/dbraw/zinc/05/50/57/958055057.db2.gz YFSUXDLBUBUDJY-UHFFFAOYSA-N -1 0 309.322 -0.045 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccccc1CC(=O)NC)C(=O)[O-] ZINC001345944521 958058711 /nfs/dbraw/zinc/05/87/11/958058711.db2.gz RGBDFBBSWFNTAF-SNVBAGLBSA-N -1 0 321.333 -0.107 20 0 DBADRM CCn1cc(NC(=O)C(=O)N[C@H](C(=O)[O-])c2ccnn2C)cn1 ZINC001346164743 958061672 /nfs/dbraw/zinc/06/16/72/958061672.db2.gz AIJBXHBAOARBHN-JTQLQIEISA-N -1 0 320.309 -0.483 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H]1CNC(=O)C1)C(=O)[O-] ZINC001348945119 958087913 /nfs/dbraw/zinc/08/79/13/958087913.db2.gz VREUAHXMSJCWGA-ZJUUUORDSA-N -1 0 313.354 -0.898 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCC(=O)NC2=O)cs1 ZINC000089754749 958088352 /nfs/dbraw/zinc/08/83/52/958088352.db2.gz KWNAMHCPPWWINY-LURJTMIESA-N -1 0 318.332 -0.470 20 0 DBADRM COC[C@@H](O)CCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001350312291 958103873 /nfs/dbraw/zinc/10/38/73/958103873.db2.gz BYBFABUMOCXDRA-QMMMGPOBSA-N -1 0 311.294 -0.768 20 0 DBADRM COc1cc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)ncn1 ZINC001594062954 958112812 /nfs/dbraw/zinc/11/28/12/958112812.db2.gz NMEMMKJLLANZRJ-MRVPVSSYSA-N -1 0 308.294 -0.253 20 0 DBADRM COc1cc(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n(C)n1 ZINC001594064187 958123634 /nfs/dbraw/zinc/12/36/34/958123634.db2.gz XALURXITFQOOPZ-SDBXPKJASA-N -1 0 310.310 -0.006 20 0 DBADRM CN1Cc2ccccc2[C@H]1CNC(=O)C(=O)NCCC(=O)[O-] ZINC001353209728 958154424 /nfs/dbraw/zinc/15/44/24/958154424.db2.gz XPXBFTKTXSOJDJ-GFCCVEGCSA-N -1 0 305.334 -0.120 20 0 DBADRM Cc1cc(=O)[nH]c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC001594326400 958176888 /nfs/dbraw/zinc/17/68/88/958176888.db2.gz DITKIZMOSQQNHO-SECBINFHSA-N -1 0 314.319 -0.581 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1COc2ccccc2O1 ZINC000391294506 972327925 /nfs/dbraw/zinc/32/79/25/972327925.db2.gz WUVQRZPFTGNOPX-CABZTGNLSA-N -1 0 320.301 -0.372 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1Cc1nc(-c2ccccn2)no1 ZINC000391311867 972328455 /nfs/dbraw/zinc/32/84/55/972328455.db2.gz BZFDVCTVQQUGKI-JTQLQIEISA-N -1 0 317.305 -0.093 20 0 DBADRM Cc1cc2n[nH]cc2cc1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001594331602 958231077 /nfs/dbraw/zinc/23/10/77/958231077.db2.gz RNBAUIBPSYDMRQ-GFCCVEGCSA-N -1 0 313.335 -0.015 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001523010687 958239502 /nfs/dbraw/zinc/23/95/02/958239502.db2.gz VVJKCNRXRIYIIH-CQSZACIVSA-N -1 0 311.338 -0.016 20 0 DBADRM NC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC001549218524 958249784 /nfs/dbraw/zinc/24/97/84/958249784.db2.gz BNNQYISXXZKMAA-YMTOWFKASA-N -1 0 305.290 -0.646 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549181603 958250129 /nfs/dbraw/zinc/25/01/29/958250129.db2.gz ZZCWJNRDCKBLOG-SCVCMEIPSA-N -1 0 304.368 -0.252 20 0 DBADRM Cn1cccc(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1=O ZINC001552376928 958303628 /nfs/dbraw/zinc/30/36/28/958303628.db2.gz LYCJNIOEBGHRMF-XPTSAGLGSA-N -1 0 307.306 -0.050 20 0 DBADRM COc1ccc(CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1O ZINC001594086100 958313652 /nfs/dbraw/zinc/31/36/52/958313652.db2.gz HTYQCLSAMXEOTE-UHFFFAOYSA-N -1 0 322.317 -0.301 20 0 DBADRM COc1ccc(CC(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)nc1 ZINC001594086154 958315350 /nfs/dbraw/zinc/31/53/50/958315350.db2.gz LBAHVUNTJDVHRM-NSHDSACASA-N -1 0 308.290 -0.139 20 0 DBADRM COc1ccc(CNC(=O)CNC(=O)[C@@H](OC)C(=O)[O-])cc1 ZINC001594093356 958380366 /nfs/dbraw/zinc/38/03/66/958380366.db2.gz NWLYFXQZPSHYAC-GFCCVEGCSA-N -1 0 310.306 -0.473 20 0 DBADRM C=CC(=O)N(CC)CC(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001588447077 958380408 /nfs/dbraw/zinc/38/04/08/958380408.db2.gz JEIZGDADUTYBIA-CQSZACIVSA-N -1 0 314.338 -0.651 20 0 DBADRM COc1ccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])nc1 ZINC001594094441 958388512 /nfs/dbraw/zinc/38/85/12/958388512.db2.gz OKYZRYXAIMOCOJ-LLVKDONJSA-N -1 0 300.336 -0.226 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000111311260 958423147 /nfs/dbraw/zinc/42/31/47/958423147.db2.gz OGQRQTBNBVEPQC-SECBINFHSA-N -1 0 317.319 -0.495 20 0 DBADRM Cc1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)c(=O)n1C ZINC001594361675 958457477 /nfs/dbraw/zinc/45/74/77/958457477.db2.gz WZZCMPYQGVGBGM-LLVKDONJSA-N -1 0 309.322 -0.311 20 0 DBADRM CCN1C[C@@H](NS(=O)(=O)c2scnc2C(=O)[O-])CC1=O ZINC000391617275 972350132 /nfs/dbraw/zinc/35/01/32/972350132.db2.gz QUVQSYGUBNPJSV-LURJTMIESA-N -1 0 319.364 -0.260 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCSC1 ZINC000124614981 958539420 /nfs/dbraw/zinc/53/94/20/958539420.db2.gz VEGFZIRZCKODCR-DTWKUNHWSA-N -1 0 307.393 -0.160 20 0 DBADRM Cn1cccc1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000125892299 958570618 /nfs/dbraw/zinc/57/06/18/958570618.db2.gz YFOGIPVDUKXAKV-SECBINFHSA-N -1 0 300.336 -0.261 20 0 DBADRM CC[C@@H](C)NC(=O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000126267645 958583411 /nfs/dbraw/zinc/58/34/11/958583411.db2.gz QAQQECYSCIWHRJ-ZJUUUORDSA-N -1 0 306.384 -0.525 20 0 DBADRM CN(C(=O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-])C1CC1 ZINC000126319802 958586370 /nfs/dbraw/zinc/58/63/70/958586370.db2.gz HBKXXIBDEQYAKC-SNVBAGLBSA-N -1 0 304.368 -0.819 20 0 DBADRM CC1(C)[C@H](O)C[C@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000128026692 958626764 /nfs/dbraw/zinc/62/67/64/958626764.db2.gz ZXUWJNKBTNEHRK-RKDXNWHRSA-N -1 0 303.340 -0.595 20 0 DBADRM CC1(C)[C@H](O)C[C@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000128040124 958630532 /nfs/dbraw/zinc/63/05/32/958630532.db2.gz GJSBBUOEDNTOLD-NXEZZACHSA-N -1 0 306.384 -0.223 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])no1 ZINC000129477227 958706969 /nfs/dbraw/zinc/70/69/69/958706969.db2.gz DKNUVKVGIXCJJX-SNVBAGLBSA-N -1 0 304.324 -0.012 20 0 DBADRM C[C@@H]1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@H](C(=O)[O-])C1 ZINC000129519986 958709910 /nfs/dbraw/zinc/70/99/10/958709910.db2.gz CGGZVIKENWYJFH-MXWKQRLJSA-N -1 0 318.395 -0.525 20 0 DBADRM O=C([O-])[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1cccs1 ZINC000129635771 958714321 /nfs/dbraw/zinc/71/43/21/958714321.db2.gz LJZFSNJXKBQWGP-SNVBAGLBSA-N -1 0 309.303 -0.460 20 0 DBADRM CN(C(=O)NC1(C(=O)[O-])CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000131931699 958757192 /nfs/dbraw/zinc/75/71/92/958757192.db2.gz FNDFROMVMYQDSL-SECBINFHSA-N -1 0 320.367 -0.551 20 0 DBADRM CN(C(=O)NC1(C(=O)[O-])CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000131931879 958757493 /nfs/dbraw/zinc/75/74/93/958757493.db2.gz FNDFROMVMYQDSL-VIFPVBQESA-N -1 0 320.367 -0.551 20 0 DBADRM Nc1cccnc1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000132807073 958801856 /nfs/dbraw/zinc/80/18/56/958801856.db2.gz ADMHCXGLDOGVTP-QMMMGPOBSA-N -1 0 313.335 -0.622 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000134684373 958850246 /nfs/dbraw/zinc/85/02/46/958850246.db2.gz VRPSFDGONLAWNX-UHFFFAOYSA-N -1 0 314.366 -0.836 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000149373722 959017220 /nfs/dbraw/zinc/01/72/20/959017220.db2.gz JAYOUDXNUKOVLR-RKDXNWHRSA-N -1 0 302.327 -0.052 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)N[C@H](COC)C(=O)[O-])CC1 ZINC000158378078 959090214 /nfs/dbraw/zinc/09/02/14/959090214.db2.gz QPDLGEBTHNNINL-SNVBAGLBSA-N -1 0 322.383 -0.736 20 0 DBADRM CO[C@]1(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCOC1 ZINC000160015483 959136605 /nfs/dbraw/zinc/13/66/05/959136605.db2.gz DYOHUILHUVWREU-NSHDSACASA-N -1 0 304.324 -0.203 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCC(C)(O)CC2)c1C(=O)[O-] ZINC000160516046 959151503 /nfs/dbraw/zinc/15/15/03/959151503.db2.gz PSYROQYREQRYFI-UHFFFAOYSA-N -1 0 303.340 -0.048 20 0 DBADRM CC1(C)CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C[C@@H](CO)O1 ZINC000162987907 959222599 /nfs/dbraw/zinc/22/25/99/959222599.db2.gz BQARCWSYBJEMDY-ZETCQYMHSA-N -1 0 319.339 -0.732 20 0 DBADRM COCCN(CCO)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000164248313 959254413 /nfs/dbraw/zinc/25/44/13/959254413.db2.gz WNERJPZYLYRBBV-UHFFFAOYSA-N -1 0 307.328 -0.954 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)NC1(C(=O)[O-])CCC1 ZINC000164843435 959263260 /nfs/dbraw/zinc/26/32/60/959263260.db2.gz KLRKROJZUKLNSS-UHFFFAOYSA-N -1 0 301.324 -0.590 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)C2CCS(=O)(=O)CC2)CCC1 ZINC000164948817 959268081 /nfs/dbraw/zinc/26/80/81/959268081.db2.gz KKJIXSKYLUAMOY-UHFFFAOYSA-N -1 0 311.381 -0.510 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)NCC1(C(=O)[O-])CC1 ZINC000166969219 959327555 /nfs/dbraw/zinc/32/75/55/959327555.db2.gz XRTQHBDVNIVKHN-UHFFFAOYSA-N -1 0 301.324 -0.733 20 0 DBADRM COC[C@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000167310830 959341065 /nfs/dbraw/zinc/34/10/65/959341065.db2.gz IHBARIXAJTWAAG-SFYZADRCSA-N -1 0 311.381 -0.878 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000210729964 959677773 /nfs/dbraw/zinc/67/77/73/959677773.db2.gz WTIYNHRPNUEBJO-UWVGGRQHSA-N -1 0 305.290 -0.603 20 0 DBADRM COC[C@@H](NC(=O)[C@H](COC)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000213940162 959726438 /nfs/dbraw/zinc/72/64/38/959726438.db2.gz MWJGNLLZRTVELR-DTWKUNHWSA-N -1 0 320.342 -0.258 20 0 DBADRM Cn1cc(S(=O)(=O)NC(C)(C)CC(N)=O)cc1C(=O)[O-] ZINC000227053889 959916254 /nfs/dbraw/zinc/91/62/54/959916254.db2.gz OLVCVAKXPCZRGT-UHFFFAOYSA-N -1 0 303.340 -0.344 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)NC[C@@]2(O)CCOC2)c1 ZINC000227115107 959921728 /nfs/dbraw/zinc/92/17/28/959921728.db2.gz SHWRBYIXDZSZJO-LBPRGKRZSA-N -1 0 319.310 -0.046 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000227256933 959940864 /nfs/dbraw/zinc/94/08/64/959940864.db2.gz QGMJPDOPHKYTNE-QMMMGPOBSA-N -1 0 321.282 -0.664 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@@H]2CC[C@H](O)C2)CC1 ZINC000227547197 959952992 /nfs/dbraw/zinc/95/29/92/959952992.db2.gz JCUIBMXIZWDJEO-KOLCDFICSA-N -1 0 306.384 -0.222 20 0 DBADRM C[C@@H](CO)CCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000228227828 960004698 /nfs/dbraw/zinc/00/46/98/960004698.db2.gz RFPUPDYOXQAJOQ-SECBINFHSA-N -1 0 305.356 -0.345 20 0 DBADRM O=C([O-])/C=C/c1ccc(S(=O)(=O)N[C@H]2CNC(=O)C2)cc1 ZINC000229020037 960051152 /nfs/dbraw/zinc/05/11/52/960051152.db2.gz UBQDVECJRPSYCP-QLCVYAKKSA-N -1 0 310.331 -0.049 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N[C@H]2CNC(=O)C2)cc1 ZINC000229021595 960053080 /nfs/dbraw/zinc/05/30/80/960053080.db2.gz MWVFULXBPFFIBJ-MRVPVSSYSA-N -1 0 314.319 -0.683 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000229032317 960054387 /nfs/dbraw/zinc/05/43/87/960054387.db2.gz VXIXXAQHVBIPGG-SECBINFHSA-N -1 0 319.335 -0.321 20 0 DBADRM COCC[C@@](C)(O)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000230222711 960131738 /nfs/dbraw/zinc/13/17/38/960131738.db2.gz WYWJAZYFYWUBLL-LLVKDONJSA-N -1 0 306.340 -0.221 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000230811571 960167541 /nfs/dbraw/zinc/16/75/41/960167541.db2.gz ZVXWQNGMFYCLAU-SSDOTTSWSA-N -1 0 309.731 -0.452 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000230812014 960167667 /nfs/dbraw/zinc/16/76/67/960167667.db2.gz GJIMDXOVUGGUGQ-SSDOTTSWSA-N -1 0 323.758 -0.062 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000230895655 960170550 /nfs/dbraw/zinc/17/05/50/960170550.db2.gz IRIBNROIUCKSRK-NSHDSACASA-N -1 0 307.372 -0.904 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000231020870 960178222 /nfs/dbraw/zinc/17/82/22/960178222.db2.gz JBNJBLJXXSODIX-UHFFFAOYSA-N -1 0 316.339 -0.159 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)NCCCCCC(=O)[O-] ZINC000231022107 960178553 /nfs/dbraw/zinc/17/85/53/960178553.db2.gz CHHVXPOWDXEQIB-UHFFFAOYSA-N -1 0 309.388 -0.178 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N(CCO)CC(F)F)CC1 ZINC000231314422 960195365 /nfs/dbraw/zinc/19/53/65/960195365.db2.gz MBPCGXISMRTZNQ-UHFFFAOYSA-N -1 0 316.326 -0.413 20 0 DBADRM CNC(=O)[C@H]1CCCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000232280444 960255580 /nfs/dbraw/zinc/25/55/80/960255580.db2.gz HRPVMORMLFYBLW-ZETCQYMHSA-N -1 0 316.339 -0.745 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)CC(=O)N[C@H](C)C(C)C)C(=O)[O-] ZINC000232682877 960291690 /nfs/dbraw/zinc/29/16/90/960291690.db2.gz XIFYHMFWRSYZBL-CBUNIWKESA-N -1 0 306.384 -0.515 20 0 DBADRM CCCn1ncnc1C[S@](=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000233398612 960317836 /nfs/dbraw/zinc/31/78/36/960317836.db2.gz ZBQPAGBYPJJXFB-GWNMQOMSSA-N -1 0 302.356 -0.474 20 0 DBADRM CN(CC(=O)NCC[C@H](O)C(=O)[O-])C(=O)c1cccs1 ZINC000234274764 960347487 /nfs/dbraw/zinc/34/74/87/960347487.db2.gz CGDNLXKXBMXRAB-QMMMGPOBSA-N -1 0 300.336 -0.228 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(=O)[nH]1 ZINC000236434015 960594669 /nfs/dbraw/zinc/59/46/69/960594669.db2.gz BCTMEUXYFDRFOT-MRVPVSSYSA-N -1 0 314.319 -0.911 20 0 DBADRM C[C@H]1CC[C@H](C(=O)NC2(CCO)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001485417953 1013213416 /nfs/dbraw/zinc/21/34/16/1013213416.db2.gz DJHBWZBIEAECTR-QWRGUYRKSA-N -1 0 323.397 -0.001 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)NCC(=O)[O-] ZINC001571077203 960967241 /nfs/dbraw/zinc/96/72/41/960967241.db2.gz VZGOYZZBOZUHHQ-ISVAXAHUSA-N -1 0 302.327 -0.052 20 0 DBADRM CN1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1=O ZINC001598616265 1017345687 /nfs/dbraw/zinc/34/56/87/1017345687.db2.gz QAPHWEWKQZYMAR-NHYWBVRUSA-N -1 0 309.366 -0.526 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)c1ccccc1C(=O)[O-] ZINC000242454350 961172196 /nfs/dbraw/zinc/17/21/96/961172196.db2.gz BOZLLSSWIFGOOY-UHFFFAOYSA-N -1 0 315.351 -0.489 20 0 DBADRM C[C@H](NC(=O)CCn1cccn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001485492653 1013235254 /nfs/dbraw/zinc/23/52/54/1013235254.db2.gz YSOISXNSKSTIAI-JTQLQIEISA-N -1 0 319.369 -0.266 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)NCC(=O)[O-] ZINC001571103478 961261282 /nfs/dbraw/zinc/26/12/82/961261282.db2.gz WPYHXFUKEHEYHW-QMMMGPOBSA-N -1 0 308.356 -0.289 20 0 DBADRM COC(=O)[C@H](Cc1ccccc1O)NC(=O)COCC(=O)[O-] ZINC001571107746 961305368 /nfs/dbraw/zinc/30/53/68/961305368.db2.gz FYMMOROTGCUFCY-JTQLQIEISA-N -1 0 311.290 -0.306 20 0 DBADRM CC(=O)N(C)CC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000261610850 961383935 /nfs/dbraw/zinc/38/39/35/961383935.db2.gz DWFZLHPIGILPLN-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001571125099 961483250 /nfs/dbraw/zinc/48/32/50/961483250.db2.gz BFMMJOPGEWRJBJ-SGIHWFKDSA-N -1 0 315.347 -0.688 20 0 DBADRM NC(=O)Cn1cc(NC(=O)c2ccc(C(=O)[O-])cn2)ccc1=O ZINC001571125642 961492290 /nfs/dbraw/zinc/49/22/90/961492290.db2.gz HBMGXKRHPMCTDW-UHFFFAOYSA-N -1 0 316.273 -0.321 20 0 DBADRM Cc1cc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)cnc1N ZINC001571125831 961495725 /nfs/dbraw/zinc/49/57/25/961495725.db2.gz MJYDWTAABSTAQC-UHFFFAOYSA-N -1 0 315.351 -0.116 20 0 DBADRM Cn1nccc1[C@H](NCc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001574472102 961603945 /nfs/dbraw/zinc/60/39/45/961603945.db2.gz JBFZLMSBZZDIDR-LBPRGKRZSA-N -1 0 324.362 -0.017 20 0 DBADRM Cn1nncc1NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574474540 961641227 /nfs/dbraw/zinc/64/12/27/961641227.db2.gz PNNZYGAYRCQLGL-QMMMGPOBSA-N -1 0 310.314 -0.598 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001574493598 961720876 /nfs/dbraw/zinc/72/08/76/961720876.db2.gz OJYAOJKNNYNRNY-JTQLQIEISA-N -1 0 317.305 -0.811 20 0 DBADRM NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001574493601 961721637 /nfs/dbraw/zinc/72/16/37/961721637.db2.gz OJYAOJKNNYNRNY-SNVBAGLBSA-N -1 0 317.305 -0.811 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000262711963 961818751 /nfs/dbraw/zinc/81/87/51/961818751.db2.gz BTRZNXSFUNYXBI-MRVPVSSYSA-N -1 0 316.335 -0.011 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c1 ZINC001598619385 1017352445 /nfs/dbraw/zinc/35/24/45/1017352445.db2.gz FEKYZPPRSWMGGU-SECBINFHSA-N -1 0 302.356 -0.943 20 0 DBADRM CC(C)C[C@H](OC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC001588863721 962020461 /nfs/dbraw/zinc/02/04/61/962020461.db2.gz ZERACNRLVLADCZ-UWVGGRQHSA-N -1 0 322.383 -0.056 20 0 DBADRM CCOCC(=O)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001485659224 1013312255 /nfs/dbraw/zinc/31/22/55/1013312255.db2.gz DFQPLNAMUDEGOX-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM CN1CCOC[C@@H]1CNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001598625253 1017354628 /nfs/dbraw/zinc/35/46/28/1017354628.db2.gz LQPNVHUOTPACCM-QJPTWQEYSA-N -1 0 320.411 -0.120 20 0 DBADRM Cn1c([C@H]2COCCN2C)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001598625280 1017356411 /nfs/dbraw/zinc/35/64/11/1017356411.db2.gz MBNUMXGHLRYNIZ-NXEZZACHSA-N -1 0 311.342 -0.892 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@H](C)[C@H](O)C2)c1C(=O)[O-] ZINC000300024571 962972815 /nfs/dbraw/zinc/97/28/15/962972815.db2.gz WTGXAQMDVOISMS-POYBYMJQSA-N -1 0 303.340 -0.192 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)CC(=O)N[C@@H](C)C(C)C)C(=O)[O-] ZINC000300445375 963008168 /nfs/dbraw/zinc/00/81/68/963008168.db2.gz HPRSBTOHGVDJJX-WPRPVWTQSA-N -1 0 322.383 -0.849 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)CC(=O)N1CCCCC1)C(=O)[O-] ZINC000300450287 963009428 /nfs/dbraw/zinc/00/94/28/963009428.db2.gz XXBUEYOIYPORHM-FVINQWEUSA-N -1 0 304.368 -0.663 20 0 DBADRM CC(C)(CN1CCOCC1)NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000308598799 963293313 /nfs/dbraw/zinc/29/33/13/963293313.db2.gz ABEDAGTUNMWPAU-UHFFFAOYSA-N -1 0 311.342 -0.797 20 0 DBADRM CC(C)S(=O)(=O)CCNS(=O)(=O)CCCC(=O)[O-] ZINC000310825302 963437430 /nfs/dbraw/zinc/43/74/30/963437430.db2.gz IXSXXTLPNITXJF-UHFFFAOYSA-N -1 0 301.386 -0.406 20 0 DBADRM CCC(CC)(CNC(=O)CNS(=O)(=O)N(C)C)C(=O)[O-] ZINC000312242256 963546529 /nfs/dbraw/zinc/54/65/29/963546529.db2.gz CRHKTSAEGALHNO-UHFFFAOYSA-N -1 0 309.388 -0.610 20 0 DBADRM CN(Cc1nncn1C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000312476804 963566191 /nfs/dbraw/zinc/56/61/91/963566191.db2.gz NADONEGOOVCAHR-UHFFFAOYSA-N -1 0 300.300 -0.943 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1CC1 ZINC000312945215 963606672 /nfs/dbraw/zinc/60/66/72/963606672.db2.gz HANBUQFVXJNGCS-GFCCVEGCSA-N -1 0 306.384 -0.222 20 0 DBADRM C[C@@H]1[C@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCS1(=O)=O ZINC000313121290 963618849 /nfs/dbraw/zinc/61/88/49/963618849.db2.gz CKJSIMUTUAGSLW-HTRCEHHLSA-N -1 0 322.364 -0.433 20 0 DBADRM CC(C)S(=O)(=O)CCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000313499258 963648457 /nfs/dbraw/zinc/64/84/57/963648457.db2.gz KHVGMSXMGYLVMX-UHFFFAOYSA-N -1 0 324.380 -0.186 20 0 DBADRM Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@](C)(CO)C(=O)[O-] ZINC000313507195 963652119 /nfs/dbraw/zinc/65/21/19/963652119.db2.gz KRTRCOCZQDPKGC-CYBMUJFWSA-N -1 0 315.347 -0.036 20 0 DBADRM C[C@H](NC(=O)c1cccs1)C(=O)N[C@](C)(CO)C(=O)[O-] ZINC000313507748 963652605 /nfs/dbraw/zinc/65/26/05/963652605.db2.gz MRQIQYPLVRUZDP-JVXZTZIISA-N -1 0 300.336 -0.182 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@](O)(CO)C2)cs1 ZINC000313686030 963675625 /nfs/dbraw/zinc/67/56/25/963675625.db2.gz TWVSRVLJHYKAKV-NSHDSACASA-N -1 0 321.376 -0.046 20 0 DBADRM CN(C(=O)c1cc(C(=O)[O-])on1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000314097947 963710260 /nfs/dbraw/zinc/71/02/60/963710260.db2.gz BHGVKTRHVKJCCW-SSDOTTSWSA-N -1 0 317.323 -0.521 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000314166283 963719348 /nfs/dbraw/zinc/71/93/48/963719348.db2.gz BEVMRGPWKMVCCP-LLVKDONJSA-N -1 0 305.290 -0.503 20 0 DBADRM C[C@H](Oc1ccccc1C#N)C(=O)NCC(=O)NCC(=O)[O-] ZINC000314195027 963723972 /nfs/dbraw/zinc/72/39/72/963723972.db2.gz HFQITAJHXXUNCR-VIFPVBQESA-N -1 0 305.290 -0.357 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)Cn2cncn2)cc1 ZINC000314252288 963731401 /nfs/dbraw/zinc/73/14/01/963731401.db2.gz XQLWYJXALRCRJE-UHFFFAOYSA-N -1 0 303.278 -0.269 20 0 DBADRM COc1ccc(O[C@H](C)C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000314309843 963739796 /nfs/dbraw/zinc/73/97/96/963739796.db2.gz WLPGJFZZKVADDA-SECBINFHSA-N -1 0 310.306 -0.221 20 0 DBADRM CC(=O)N1CCC(N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CC1 ZINC000314340957 963742885 /nfs/dbraw/zinc/74/28/85/963742885.db2.gz HITWXTYOQKFRAB-GFCCVEGCSA-N -1 0 318.395 -0.429 20 0 DBADRM CN(C)C(=O)N1CCC(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1 ZINC000314443375 963754409 /nfs/dbraw/zinc/75/44/09/963754409.db2.gz HNPKGBLRUDQENL-GHMZBOCLSA-N -1 0 313.354 -0.574 20 0 DBADRM O=C([O-])CN1CCN(C(=O)c2sccc2-n2cnnn2)CC1 ZINC000314518303 963763321 /nfs/dbraw/zinc/76/33/21/963763321.db2.gz TXTAQTQUGOEGSN-UHFFFAOYSA-N -1 0 322.350 -0.434 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000314535671 963765347 /nfs/dbraw/zinc/76/53/47/963765347.db2.gz XBPOGVDSHISYPL-SECBINFHSA-N -1 0 313.335 -0.273 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cn(-c2ccccc2)nn1 ZINC000314541682 963766826 /nfs/dbraw/zinc/76/68/26/963766826.db2.gz UBFSGPOVUDXGNZ-UHFFFAOYSA-N -1 0 303.278 -0.802 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000314783641 963809213 /nfs/dbraw/zinc/80/92/13/963809213.db2.gz MKRNVAXQCVDHLI-UHFFFAOYSA-N -1 0 315.351 -0.352 20 0 DBADRM CC(C)(CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)OCCO ZINC000314791258 963810554 /nfs/dbraw/zinc/81/05/54/963810554.db2.gz NCJJCSCJVGUEJY-UHFFFAOYSA-N -1 0 321.355 -0.967 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000314790069 963810672 /nfs/dbraw/zinc/81/06/72/963810672.db2.gz NAZDMODTJKIDAO-JTQLQIEISA-N -1 0 321.399 -0.514 20 0 DBADRM CNC(=O)CCCCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001598641024 1017364057 /nfs/dbraw/zinc/36/40/57/1017364057.db2.gz ZMKWKXABFGJVGB-UHFFFAOYSA-N -1 0 309.326 -0.334 20 0 DBADRM C[C@](NC(=O)CN1C(=O)CNC1=O)(C(=O)[O-])c1ccccc1 ZINC000315097781 963856283 /nfs/dbraw/zinc/85/62/83/963856283.db2.gz SKKKVNGOMNDFHZ-CQSZACIVSA-N -1 0 305.290 -0.346 20 0 DBADRM COCC[C@@H](NC(=O)CCCN1C(=O)CN(C)C1=O)C(=O)[O-] ZINC000315435435 963900766 /nfs/dbraw/zinc/90/07/66/963900766.db2.gz LVDQPKWXEMZJAU-SECBINFHSA-N -1 0 315.326 -0.734 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000315438427 963900900 /nfs/dbraw/zinc/90/09/00/963900900.db2.gz QEFICDJJHKDHKL-PWSUYJOCSA-N -1 0 304.302 -0.208 20 0 DBADRM CC[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315456938 963904388 /nfs/dbraw/zinc/90/43/88/963904388.db2.gz SMPBOXHHIUZKAU-ZETCQYMHSA-N -1 0 319.339 -0.044 20 0 DBADRM NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000315892968 963948402 /nfs/dbraw/zinc/94/84/02/963948402.db2.gz CCLGVOHFNHAIMC-LURJTMIESA-N -1 0 303.296 -0.741 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000315902587 963949270 /nfs/dbraw/zinc/94/92/70/963949270.db2.gz MUSQNTDWJNQRKE-VIFPVBQESA-N -1 0 307.314 -0.439 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)[N-]CCCn2ccnc2)on1 ZINC000316012704 963965111 /nfs/dbraw/zinc/96/51/11/963965111.db2.gz SEEFNCFWEANSJL-UHFFFAOYSA-N -1 0 300.296 -0.062 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000316194891 963988278 /nfs/dbraw/zinc/98/82/78/963988278.db2.gz RFLUTDFAMZRNTB-UHFFFAOYSA-N -1 0 304.310 -0.058 20 0 DBADRM COC(=O)c1ccc(N2CC(n3cc(C(=O)[O-])nn3)C2)nn1 ZINC000316228363 963991597 /nfs/dbraw/zinc/99/15/97/963991597.db2.gz UKAYIRPTDOGYIX-UHFFFAOYSA-N -1 0 304.266 -0.386 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)nn1 ZINC000316523091 964021056 /nfs/dbraw/zinc/02/10/56/964021056.db2.gz ZNTTYYHEHIUWHV-SECBINFHSA-N -1 0 308.342 -0.488 20 0 DBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000316796502 964056869 /nfs/dbraw/zinc/05/68/69/964056869.db2.gz GSBRWRJFRUWGAW-KOLCDFICSA-N -1 0 315.347 -0.333 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CCO1 ZINC001598637739 1017365027 /nfs/dbraw/zinc/36/50/27/1017365027.db2.gz ORIAZYRHMMVUAK-VIFPVBQESA-N -1 0 309.322 -0.083 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2C[C@H](O)[C@H](CO)C2)c1 ZINC000316927761 964074191 /nfs/dbraw/zinc/07/41/91/964074191.db2.gz WFLZZFVBVRTIKZ-ONGXEEELSA-N -1 0 301.320 -0.642 20 0 DBADRM CNC(=O)CN1CC=C(CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001598642905 1017365507 /nfs/dbraw/zinc/36/55/07/1017365507.db2.gz MOXOHAQSDJPGAU-NWDGAFQWSA-N -1 0 309.366 -0.409 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC001598642522 1017365577 /nfs/dbraw/zinc/36/55/77/1017365577.db2.gz LLVROXYRFIKJMD-YMTOWFKASA-N -1 0 313.354 -0.850 20 0 DBADRM O=C(C=C1CCCCC1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001485979664 1013487876 /nfs/dbraw/zinc/48/78/76/1013487876.db2.gz KJSJFOBJPOFGQX-LLVKDONJSA-N -1 0 309.370 -0.033 20 0 DBADRM CC1(C)C(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)C1(C)C ZINC001485984333 1013499287 /nfs/dbraw/zinc/49/92/87/1013499287.db2.gz JGPKPBWLPMJGRU-MRVPVSSYSA-N -1 0 311.386 -0.241 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2c(C)noc2C)c1[O-] ZINC001485987668 1013506151 /nfs/dbraw/zinc/50/61/51/1013506151.db2.gz ROQCEWXEBHOTCX-SNVBAGLBSA-N -1 0 323.353 -0.091 20 0 DBADRM CNC(=O)NCCNS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001598651425 1017368018 /nfs/dbraw/zinc/36/80/18/1017368018.db2.gz WVEFBEYXDNCFKJ-UHFFFAOYSA-N -1 0 315.351 -0.099 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)c2cc(C(=O)[O-])nn2C)cn1 ZINC001598651191 1017368860 /nfs/dbraw/zinc/36/88/60/1017368860.db2.gz NPFNFXBOJMWGJX-UHFFFAOYSA-N -1 0 306.282 -0.687 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H]1CCC(F)(F)C1 ZINC001486002238 1013539018 /nfs/dbraw/zinc/53/90/18/1013539018.db2.gz NAHAWNQQLXPGIQ-JGVFFNPUSA-N -1 0 319.312 -0.488 20 0 DBADRM O=C(C[C@@H]1CC=CCC1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001486023224 1013577578 /nfs/dbraw/zinc/57/75/78/1013577578.db2.gz AFNJYVVSSSUBDU-MNOVXSKESA-N -1 0 309.370 -0.177 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C1CC2(CCC2)C1 ZINC001486026801 1013585608 /nfs/dbraw/zinc/58/56/08/1013585608.db2.gz GQMOSHHSSQLSMC-JTQLQIEISA-N -1 0 309.370 -0.343 20 0 DBADRM COc1cccc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001486053755 1013633093 /nfs/dbraw/zinc/63/30/93/1013633093.db2.gz HXRTWTRTXWDHIM-JTQLQIEISA-N -1 0 321.337 -0.601 20 0 DBADRM CO[C@H]1CC[C@H]1N(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599104206 1017515845 /nfs/dbraw/zinc/51/58/45/1017515845.db2.gz MWUMWQAVFQVIHL-QEYWKRMJSA-N -1 0 301.343 -0.217 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC1(CC(=O)[O-])CC1)[C@H]1CCOC1 ZINC001599056878 1017501586 /nfs/dbraw/zinc/50/15/86/1017501586.db2.gz OAIYVAXOHWPUFL-UWVGGRQHSA-N -1 0 307.368 -0.035 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001599146881 1017529747 /nfs/dbraw/zinc/52/97/47/1017529747.db2.gz ZUIVUJPFDCIYLW-GWCFXTLKSA-N -1 0 302.327 -0.770 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001599755213 1017621993 /nfs/dbraw/zinc/62/19/93/1017621993.db2.gz GOQYXHYAZCGMQS-KXUCPTDWSA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CC(F)(F)F)C(=O)[O-] ZINC001599762821 1017626469 /nfs/dbraw/zinc/62/64/69/1017626469.db2.gz QMKGZLRPKXMMDL-YLWLKBPMSA-N -1 0 303.258 -0.057 20 0 DBADRM Cn1cc(C(=O)CNS(=O)(=O)C2(C(=O)[O-])CCC2)cn1 ZINC001600927782 1017744675 /nfs/dbraw/zinc/74/46/75/1017744675.db2.gz DSLCFYCURHGOBG-UHFFFAOYSA-N -1 0 301.324 -0.471 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)N[C@H]2CCNC(=O)CC2)CC1 ZINC001601922348 1017893539 /nfs/dbraw/zinc/89/35/39/1017893539.db2.gz SLAZJADQCHSLML-SECBINFHSA-N -1 0 304.368 -0.171 20 0 DBADRM COCC(=O)NC1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC1 ZINC001604504545 1018393852 /nfs/dbraw/zinc/39/38/52/1018393852.db2.gz CCOTWAJMPPWYQD-CYBMUJFWSA-N -1 0 302.327 -0.770 20 0 DBADRM CC[C@@H](C)OCC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001604965774 1018497975 /nfs/dbraw/zinc/49/79/75/1018497975.db2.gz JSNMWPZNEHRNPI-SECBINFHSA-N -1 0 307.368 -0.050 20 0 DBADRM CCNC(=O)[C@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037656821 967512734 /nfs/dbraw/zinc/51/27/34/967512734.db2.gz PALYBOXSEOZBGD-QMMMGPOBSA-N -1 0 307.372 -0.858 20 0 DBADRM CCCN(CC(=O)OC)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037837293 967514466 /nfs/dbraw/zinc/51/44/66/967514466.db2.gz SOMVSZFVQFARME-UHFFFAOYSA-N -1 0 322.383 -0.087 20 0 DBADRM NS(=O)(=O)CCCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000054305196 967538755 /nfs/dbraw/zinc/53/87/55/967538755.db2.gz UVRMTZKBEUXADY-VIFPVBQESA-N -1 0 307.372 -0.439 20 0 DBADRM CCC1(CC)CN([C@@H](C)C(=O)NCC(=O)[O-])CCS1(=O)=O ZINC001605139031 1018534338 /nfs/dbraw/zinc/53/43/38/1018534338.db2.gz VDZJMSQSAVISKH-JTQLQIEISA-N -1 0 320.411 -0.135 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1cnc2n(c1=O)CCS2 ZINC000088375509 967584161 /nfs/dbraw/zinc/58/41/61/967584161.db2.gz ICYWKDWAGRKNSE-MRVPVSSYSA-N -1 0 311.319 -0.725 20 0 DBADRM CC(C)C[C@H](CNC(=O)NCCS(N)(=O)=O)CC(=O)[O-] ZINC000088274242 967584470 /nfs/dbraw/zinc/58/44/70/967584470.db2.gz BIHCKMABWRYYKP-VIFPVBQESA-N -1 0 309.388 -0.289 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])o1 ZINC000090276643 967588281 /nfs/dbraw/zinc/58/82/81/967588281.db2.gz ZWJHAYKHHBFTHE-NSHDSACASA-N -1 0 320.323 -0.905 20 0 DBADRM C[C@@H](CN(C)C(=O)NCCC(=O)N1CCOCC1)C(=O)[O-] ZINC000124845369 967619927 /nfs/dbraw/zinc/61/99/27/967619927.db2.gz PXAYYORUVZUIDF-JTQLQIEISA-N -1 0 301.343 -0.403 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCCNC(=O)C2CC2)CC1 ZINC000160680399 967654434 /nfs/dbraw/zinc/65/44/34/967654434.db2.gz XTJRCJVPHHMRCO-UHFFFAOYSA-N -1 0 319.383 -0.856 20 0 DBADRM CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1CCCCS1(=O)=O ZINC000230736827 967726731 /nfs/dbraw/zinc/72/67/31/967726731.db2.gz GFJHWAOHPBNCSL-JTQLQIEISA-N -1 0 306.384 -0.572 20 0 DBADRM CN(C)C1(CS(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)CC1 ZINC001606013060 1018692452 /nfs/dbraw/zinc/69/24/52/1018692452.db2.gz XFWVWRNHSLFWKC-LLVKDONJSA-N -1 0 306.384 -0.366 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC001606321687 1018809018 /nfs/dbraw/zinc/80/90/18/1018809018.db2.gz QSDNOBMKMCOATO-APOZVJGGSA-N -1 0 305.352 -0.032 20 0 DBADRM O=C([O-])COCC(=O)NCCNS(=O)(=O)c1cccs1 ZINC001606273173 1018793187 /nfs/dbraw/zinc/79/31/87/1018793187.db2.gz ZFOGDGMXAFBOCN-UHFFFAOYSA-N -1 0 322.364 -0.756 20 0 DBADRM C[C@@H]1CCCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)[C@H]1C(=O)[O-] ZINC000300294190 967909776 /nfs/dbraw/zinc/90/97/76/967909776.db2.gz IBRHWAVVRJQDOJ-JFGNBEQYSA-N -1 0 318.395 -0.525 20 0 DBADRM COC(=O)[C@@H](C)N(C)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001606501365 1018848719 /nfs/dbraw/zinc/84/87/19/1018848719.db2.gz VDNBESDNIDVEDI-SSDOTTSWSA-N -1 0 302.308 -0.038 20 0 DBADRM O=C(CN1C(=O)CNC1=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000314139604 967966071 /nfs/dbraw/zinc/96/60/71/967966071.db2.gz PDIPPIPLTYPXBJ-SNVBAGLBSA-N -1 0 305.290 -0.650 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000314871663 967970656 /nfs/dbraw/zinc/97/06/56/967970656.db2.gz XZVNFTMFKDXUQP-SNVBAGLBSA-N -1 0 321.399 -0.372 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2Cc3c[nH]nc3C2)CC1 ZINC000380425130 968081795 /nfs/dbraw/zinc/08/17/95/968081795.db2.gz ITVNESYAWXYZDH-UHFFFAOYSA-N -1 0 300.340 -0.233 20 0 DBADRM C[C@H](C(=O)[O-])N(C1CC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000383463094 968114190 /nfs/dbraw/zinc/11/41/90/968114190.db2.gz BDIWCTGABWZLNB-SSDOTTSWSA-N -1 0 315.351 -0.250 20 0 DBADRM Cn1nnc(Br)c1C(=O)N=c1cc(C(=O)[O-])[nH][nH]1 ZINC000385291005 968128334 /nfs/dbraw/zinc/12/83/34/968128334.db2.gz OXYNDTKZJZAVMQ-UHFFFAOYSA-N -1 0 315.087 -0.327 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000386710798 968139606 /nfs/dbraw/zinc/13/96/06/968139606.db2.gz XOTIIGMEAWINDL-PHIMTYICSA-N -1 0 317.301 -0.201 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)c1cc(S(N)(=O)=O)cn1C)C1CC1 ZINC000394835112 968217773 /nfs/dbraw/zinc/21/77/73/968217773.db2.gz AJSBMVHNTFBDET-ZETCQYMHSA-N -1 0 315.351 -0.250 20 0 DBADRM NC(=O)[C@@H]1CN(S(=O)(=O)CCCCCC(=O)[O-])CCO1 ZINC001608230270 1019117717 /nfs/dbraw/zinc/11/77/17/1019117717.db2.gz UJRNZEUKBCJTQA-VIFPVBQESA-N -1 0 308.356 -0.853 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001609658408 1019543553 /nfs/dbraw/zinc/54/35/53/1019543553.db2.gz WEQPHISZNIAYOV-VIFPVBQESA-N -1 0 322.383 -0.594 20 0 DBADRM CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)Cc1nnc[nH]1 ZINC001486378697 1013833274 /nfs/dbraw/zinc/83/32/74/1013833274.db2.gz OWZKOZRNGPCJQD-UHFFFAOYSA-N -1 0 322.373 -0.460 20 0 DBADRM CCC(=O)N[C@H](C)[C@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001486624207 1013865715 /nfs/dbraw/zinc/86/57/15/1013865715.db2.gz MQNQPNLVFKKGRF-BDAKNGLRSA-N -1 0 313.358 -0.111 20 0 DBADRM CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001588716361 1021127491 /nfs/dbraw/zinc/12/74/91/1021127491.db2.gz SPLVDLWUTJVGBO-MRVPVSSYSA-N -1 0 301.299 -0.143 20 0 DBADRM CC(C)(C)OC(=O)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001589890011 1021330080 /nfs/dbraw/zinc/33/00/80/1021330080.db2.gz HPGVGTLKMVVQKG-UHFFFAOYSA-N -1 0 305.312 -0.272 20 0 DBADRM CC(C)(CS(=O)(=O)NCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC001590803964 1021586311 /nfs/dbraw/zinc/58/63/11/1021586311.db2.gz QJFPCTYGAQALKT-UHFFFAOYSA-N -1 0 315.413 -0.160 20 0 DBADRM CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@H]1CCS(=O)(=O)C1 ZINC001596156813 1017118481 /nfs/dbraw/zinc/11/84/81/1017118481.db2.gz NPRIFQXFKDKFLD-AEJSXWLSSA-N -1 0 305.352 -0.346 20 0 DBADRM CCCC[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(C)=O ZINC001487091966 1013942849 /nfs/dbraw/zinc/94/28/49/1013942849.db2.gz GZRCMKOQAUIEBQ-JTQLQIEISA-N -1 0 310.354 -0.089 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NC2(CCO)CCCC2)n1 ZINC001595148408 970309614 /nfs/dbraw/zinc/30/96/14/970309614.db2.gz QGUQRZSSVACTIX-UHFFFAOYSA-N -1 0 324.337 -0.282 20 0 DBADRM COC(=O)N[C@H]1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000318043102 970405753 /nfs/dbraw/zinc/40/57/53/970405753.db2.gz RYXZSJCXOFLVID-NSHDSACASA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN3C(=O)NC[C@@H]3C2)n1 ZINC000318161280 970414892 /nfs/dbraw/zinc/41/48/92/970414892.db2.gz DZMZMICNTQPQAK-SSDOTTSWSA-N -1 0 307.266 -0.098 20 0 DBADRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC(=O)N2CCOCC2)n1 ZINC000318388246 970431071 /nfs/dbraw/zinc/43/10/71/970431071.db2.gz DFAXFALAQWSNOC-UHFFFAOYSA-N -1 0 310.266 -0.041 20 0 DBADRM CC(=O)NCCC[C@@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001487514244 1013998001 /nfs/dbraw/zinc/99/80/01/1013998001.db2.gz WQTDVEIGOZIUPG-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM CC(=O)NCC1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000318508047 970441165 /nfs/dbraw/zinc/44/11/65/970441165.db2.gz FXOBDFNZFCAMIS-UHFFFAOYSA-N -1 0 309.326 -0.649 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(N3CCNC3=O)CC2)O1 ZINC000318710641 970463780 /nfs/dbraw/zinc/46/37/80/970463780.db2.gz JMJGJHLFKORBMW-MNOVXSKESA-N -1 0 311.338 -0.365 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000319574758 970549526 /nfs/dbraw/zinc/54/95/26/970549526.db2.gz RJRCSGYZRGDBFJ-VIFPVBQESA-N -1 0 320.261 -0.044 20 0 DBADRM O=C([O-])c1ccc(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1 ZINC000319992592 970599594 /nfs/dbraw/zinc/59/95/94/970599594.db2.gz TVZGDYOBCCLUHV-JTQLQIEISA-N -1 0 305.290 -0.358 20 0 DBADRM C[C@@H](CN(C)C(=O)C1CC1)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001487690766 1014017225 /nfs/dbraw/zinc/01/72/25/1014017225.db2.gz YZPUCRCAXUSXMV-QMMMGPOBSA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@@H](CN(C)C(=O)C(C)(F)F)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001487692107 1014017317 /nfs/dbraw/zinc/01/73/17/1014017317.db2.gz RBNRUPWADHHECU-LURJTMIESA-N -1 0 321.284 -0.692 20 0 DBADRM COCCN(CCC(=O)[O-])c1nccc(S(C)(=O)=O)n1 ZINC001599237456 970633826 /nfs/dbraw/zinc/63/38/26/970633826.db2.gz YKABQDQPRZCPGH-UHFFFAOYSA-N -1 0 303.340 -0.192 20 0 DBADRM CC(C)=CC(=O)N(C)C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001487701681 1014018572 /nfs/dbraw/zinc/01/85/72/1014018572.db2.gz JSSZCKPSUJUBLJ-VIFPVBQESA-N -1 0 311.342 -0.381 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1=O ZINC000320655621 970691836 /nfs/dbraw/zinc/69/18/36/970691836.db2.gz KSTQFABRWPCGFL-UHFFFAOYSA-N -1 0 319.273 -0.411 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCCC(=O)NC2CC2)nn1 ZINC000321264983 970756662 /nfs/dbraw/zinc/75/66/62/970756662.db2.gz DLHFILVPFQZHKG-UHFFFAOYSA-N -1 0 324.341 -0.666 20 0 DBADRM Cc1ccnc2nc(C(=O)NCCn3cc(C(=O)[O-])nn3)nn21 ZINC000321262878 970756669 /nfs/dbraw/zinc/75/66/69/970756669.db2.gz QYWDBSBSQAVEEH-UHFFFAOYSA-N -1 0 316.281 -0.848 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC000392874843 972536903 /nfs/dbraw/zinc/53/69/03/972536903.db2.gz LPFKLZKVUNYJHL-ZANVPECISA-N -1 0 301.343 -0.227 20 0 DBADRM Cc1nnc(CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1C ZINC000393215755 972571160 /nfs/dbraw/zinc/57/11/60/972571160.db2.gz MLWJBLAXWLXPFT-UHFFFAOYSA-N -1 0 313.339 -0.361 20 0 DBADRM COCC1(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCC1 ZINC000393449744 972598431 /nfs/dbraw/zinc/59/84/31/972598431.db2.gz DLDFTLLOHRJHAZ-UHFFFAOYSA-N -1 0 303.340 -0.185 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000393881397 972654551 /nfs/dbraw/zinc/65/45/51/972654551.db2.gz MZUVVQBCDZEAMM-UHFFFAOYSA-N -1 0 303.336 -0.346 20 0 DBADRM CC(C)(C)[C@H](CO)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000393937935 972658239 /nfs/dbraw/zinc/65/82/39/972658239.db2.gz XPVWVSOYOKFMQM-VIFPVBQESA-N -1 0 305.356 -0.347 20 0 DBADRM C[C@H]1C(=O)NCCCN1C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001605053813 972669700 /nfs/dbraw/zinc/66/97/00/972669700.db2.gz YBJWGYDDCCBNDW-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC000394431573 972712785 /nfs/dbraw/zinc/71/27/85/972712785.db2.gz XUKJILLIAOOVLP-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM NC(=O)COc1ccc(C(=O)N2CCC(O)(C(=O)[O-])CC2)cc1 ZINC000395316685 972788134 /nfs/dbraw/zinc/78/81/34/972788134.db2.gz JJZGNTPHNDQJOM-UHFFFAOYSA-N -1 0 322.317 -0.398 20 0 DBADRM CC(=O)NCc1ccc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1 ZINC000395415940 972796153 /nfs/dbraw/zinc/79/61/53/972796153.db2.gz JXRVITUPPRWGNE-OAHLLOKOSA-N -1 0 306.318 -0.016 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC=CCC2)c1[O-] ZINC001487938613 1014065309 /nfs/dbraw/zinc/06/53/09/1014065309.db2.gz KOTJGCJMUMCTQN-GHMZBOCLSA-N -1 0 322.365 -0.013 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@@H]1CCNC(=O)CC1 ZINC000396624525 972924284 /nfs/dbraw/zinc/92/42/84/972924284.db2.gz BWOMIQIAHNNCOT-LURJTMIESA-N -1 0 302.312 -0.945 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N[C@@H]2CCNC(=O)CC2)c1 ZINC000396659267 972931781 /nfs/dbraw/zinc/93/17/81/972931781.db2.gz NWJIZTPNSDVHEV-VIFPVBQESA-N -1 0 313.335 -0.273 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](CO)C2)o1 ZINC000396871956 972947467 /nfs/dbraw/zinc/94/74/67/972947467.db2.gz GNUMXVYJDJGLIG-HTQZYQBOSA-N -1 0 305.308 -0.658 20 0 DBADRM Cn1cc(S(=O)(=O)N=c2cc[nH]cc2C(=O)[O-])cc1C(N)=O ZINC000397301089 972988265 /nfs/dbraw/zinc/98/82/65/972988265.db2.gz PYUJDUDDIWMONU-UHFFFAOYSA-N -1 0 324.318 -0.560 20 0 DBADRM CNC(=O)NCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000397406254 972997689 /nfs/dbraw/zinc/99/76/89/972997689.db2.gz CXNJPAZRZHOGSN-UHFFFAOYSA-N -1 0 315.351 -0.099 20 0 DBADRM CNC(=O)NCCNS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000397443358 973002401 /nfs/dbraw/zinc/00/24/01/973002401.db2.gz UOVHSQDSBTXLCF-UHFFFAOYSA-N -1 0 315.351 -0.267 20 0 DBADRM C[C@H]1CC[C@H](CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)O1 ZINC000398127404 973072276 /nfs/dbraw/zinc/07/22/76/973072276.db2.gz JBDMDMWZEUECPN-DTWKUNHWSA-N -1 0 303.340 -0.187 20 0 DBADRM C[C@H](CNC(=O)c1ccsc1CC(=O)[O-])S(N)(=O)=O ZINC000398214931 973083791 /nfs/dbraw/zinc/08/37/91/973083791.db2.gz AITJMEZSZCXOGK-ZCFIWIBFSA-N -1 0 306.365 -0.218 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)CC(=O)[O-])cc1 ZINC000398232328 973088058 /nfs/dbraw/zinc/08/80/58/973088058.db2.gz IIJITSOMOHFCQZ-VIFPVBQESA-N -1 0 301.320 -0.345 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)CC(=O)[O-] ZINC000398259112 973094256 /nfs/dbraw/zinc/09/42/56/973094256.db2.gz ATCDZYFJCLKINI-NXEZZACHSA-N -1 0 300.355 -0.025 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000398269240 973099094 /nfs/dbraw/zinc/09/90/94/973099094.db2.gz GGFQGBWEUJNZSN-RQJHMYQMSA-N -1 0 312.244 -0.651 20 0 DBADRM CNC(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000398522295 973151339 /nfs/dbraw/zinc/15/13/39/973151339.db2.gz XCWNQBIPBZVUBK-LURJTMIESA-N -1 0 303.296 -0.871 20 0 DBADRM CNC(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC000398595184 973157351 /nfs/dbraw/zinc/15/73/51/973157351.db2.gz UDNSOKOATIZVPA-QMMMGPOBSA-N -1 0 315.351 -0.520 20 0 DBADRM C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000398955848 973185297 /nfs/dbraw/zinc/18/52/97/973185297.db2.gz PFNVWFGVYMGIIT-AHGSNSTDSA-N -1 0 310.353 -0.240 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)C[C@@H]1CCOC1 ZINC000401390254 973361085 /nfs/dbraw/zinc/36/10/85/973361085.db2.gz OJBXOPOTJFBMQB-UWVGGRQHSA-N -1 0 305.352 -0.487 20 0 DBADRM COCC1(CC(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CC1 ZINC000401441060 973366074 /nfs/dbraw/zinc/36/60/74/973366074.db2.gz ZKRHLZVGGTYWOS-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NCC(C)(C)C(=O)[O-] ZINC001571087725 1025822200 /nfs/dbraw/zinc/82/22/00/1025822200.db2.gz LDXHHKUPEGYECY-UHFFFAOYSA-N -1 0 305.312 -0.415 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1=O ZINC000401523950 973370285 /nfs/dbraw/zinc/37/02/85/973370285.db2.gz QKTQGBCCKNFTSI-SECBINFHSA-N -1 0 311.338 -0.447 20 0 DBADRM COC1(CO)CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC000401709236 973379830 /nfs/dbraw/zinc/37/98/30/973379830.db2.gz UQFRHTKBCPNESS-UHFFFAOYSA-N -1 0 320.323 -0.465 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)NCCCN2CCOCC2)C1 ZINC000401787734 973391844 /nfs/dbraw/zinc/39/18/44/973391844.db2.gz LTJBSYZHERIXTP-RYUDHWBXSA-N -1 0 315.370 -0.814 20 0 DBADRM NC(=O)c1ccccc1NC(=O)CN1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401807112 973402999 /nfs/dbraw/zinc/40/29/99/973402999.db2.gz ARYQYRQSUHNMDA-NXEZZACHSA-N -1 0 321.333 -0.509 20 0 DBADRM CCOC(=O)CCCNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401815847 973414169 /nfs/dbraw/zinc/41/41/69/973414169.db2.gz IAQBQMVYVSMWEC-UWVGGRQHSA-N -1 0 302.327 -0.193 20 0 DBADRM CO[C@]1(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CCOC1 ZINC000401818619 973416923 /nfs/dbraw/zinc/41/69/23/973416923.db2.gz JDKQIGBDLGKFKZ-KWBADKCTSA-N -1 0 302.327 -0.731 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1C ZINC000401820977 973420517 /nfs/dbraw/zinc/42/05/17/973420517.db2.gz JZCJVCSPXGUKBV-ZJUUUORDSA-N -1 0 309.322 -0.695 20 0 DBADRM Cc1ccnc2nc(C(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)nn21 ZINC000401839746 973438323 /nfs/dbraw/zinc/43/83/23/973438323.db2.gz SKGQFLMVFQBGSZ-RKDXNWHRSA-N -1 0 305.294 -0.660 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1 ZINC000401845632 973444660 /nfs/dbraw/zinc/44/46/60/973444660.db2.gz ARCLQIQXCBHAJC-RYUDHWBXSA-N -1 0 321.333 -0.238 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(CC(=O)NC(=O)NC2CCCC2)C1 ZINC000401865827 973465489 /nfs/dbraw/zinc/46/54/89/973465489.db2.gz FWUBPVLVCSDKEK-ONGXEEELSA-N -1 0 313.354 -0.478 20 0 DBADRM CC(C)C(=O)NCCNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401889627 973496482 /nfs/dbraw/zinc/49/64/82/973496482.db2.gz NBHGPBYUMLMXMD-UWVGGRQHSA-N -1 0 301.343 -0.764 20 0 DBADRM N#Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cn1 ZINC000401902454 973508965 /nfs/dbraw/zinc/50/89/65/973508965.db2.gz DZZSQGIKMQFZKM-SCZZXKLOSA-N -1 0 311.319 -0.591 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2nnnn2C[C@@H]2CCCO2)C1 ZINC001604541086 973512953 /nfs/dbraw/zinc/51/29/53/973512953.db2.gz GCJKUJXQCIJECU-GXFFZTMASA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)NCC(=O)N2CCCCC2)C1 ZINC000401904884 973513580 /nfs/dbraw/zinc/51/35/80/973513580.db2.gz SURJXVPJXGVIEY-QWRGUYRKSA-N -1 0 313.354 -0.524 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H](CC(C)C)C(N)=O)CCO1 ZINC001604541309 973517605 /nfs/dbraw/zinc/51/76/05/973517605.db2.gz MPWIDFCESZEVBZ-IINYFYTJSA-N -1 0 316.354 -0.537 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H](C)c2ccnn2C)CCO1 ZINC001604541967 973529553 /nfs/dbraw/zinc/52/95/53/973529553.db2.gz XJGPSWWNHCTCAM-YGRLFVJLSA-N -1 0 311.338 -0.148 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000401954191 973560354 /nfs/dbraw/zinc/56/03/54/973560354.db2.gz WWJRXVFQDKOYBQ-UWVGGRQHSA-N -1 0 320.301 -0.075 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000401964644 973569031 /nfs/dbraw/zinc/56/90/31/973569031.db2.gz COTGOFFOGGTVNJ-UPJWGTAASA-N -1 0 324.377 -0.071 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC000401966959 973571963 /nfs/dbraw/zinc/57/19/63/973571963.db2.gz GFYVPNBXEUUGRW-OUAUKWLOSA-N -1 0 306.384 -0.270 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1C ZINC000401972569 973578598 /nfs/dbraw/zinc/57/85/98/973578598.db2.gz OKGWYWDBVJRIAC-DTWKUNHWSA-N -1 0 303.340 -0.815 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cn1C ZINC000401972571 973579139 /nfs/dbraw/zinc/57/91/39/973579139.db2.gz OKGWYWDBVJRIAC-RKDXNWHRSA-N -1 0 303.340 -0.815 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)[O-] ZINC000402572751 973625465 /nfs/dbraw/zinc/62/54/65/973625465.db2.gz NUQDECXDJBQTDR-GFCCVEGCSA-N -1 0 308.294 -0.799 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccnn2C)C1 ZINC000402579089 973626649 /nfs/dbraw/zinc/62/66/49/973626649.db2.gz RUHQLKMIHPEBJQ-PWSUYJOCSA-N -1 0 308.338 -0.080 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N1CCCN(C(N)=O)CC1 ZINC001573724561 1026625625 /nfs/dbraw/zinc/62/56/25/1026625625.db2.gz MYRVYTAWRPTMRF-SECBINFHSA-N -1 0 307.372 -0.344 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC000405503913 973891646 /nfs/dbraw/zinc/89/16/46/973891646.db2.gz CUZQCRNCYJSGJC-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM CCn1nc(C(=O)[N-]c2nc3nc(C)cc(=O)n3[nH]2)ccc1=O ZINC001527345007 1014229512 /nfs/dbraw/zinc/22/95/12/1014229512.db2.gz NSTXHVRMUDJFQB-UHFFFAOYSA-N -1 0 315.293 -0.445 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@@H](C)NC(=O)Cn2ccnc2)c1[O-] ZINC001527514435 1014257479 /nfs/dbraw/zinc/25/74/79/1014257479.db2.gz BRQGKNATHATNLL-SECBINFHSA-N -1 0 320.353 -0.055 20 0 DBADRM CC(C)=CC(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001488149560 1014272447 /nfs/dbraw/zinc/27/24/47/1014272447.db2.gz TVTRGTBSPXETEE-NXEZZACHSA-N -1 0 323.353 -0.239 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1nnc2c(=O)n(C)ccn12 ZINC001591719477 975639863 /nfs/dbraw/zinc/63/98/63/975639863.db2.gz BNXFPBGEHZWOJD-SNVBAGLBSA-N -1 0 323.353 -0.262 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CCNC(=O)[C@@H]2CCNC2=O)c1[O-] ZINC001527699605 1014281603 /nfs/dbraw/zinc/28/16/03/1014281603.db2.gz COAQDGWKXJNNCX-APPZFPTMSA-N -1 0 323.353 -0.816 20 0 DBADRM CC(=O)N[C@H]1CC[C@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001488276536 1014313188 /nfs/dbraw/zinc/31/31/88/1014313188.db2.gz JUFGIRICCMRDAE-UWVGGRQHSA-N -1 0 323.353 -0.364 20 0 DBADRM CCC(=O)N(C)C[C@H](O)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001488314664 1014320168 /nfs/dbraw/zinc/32/01/68/1014320168.db2.gz ZFVDKLFQPRKEHD-MRVPVSSYSA-N -1 0 322.321 -0.113 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@@H]2CCN(C)C2=O)c1[O-] ZINC001528041866 1014343700 /nfs/dbraw/zinc/34/37/00/1014343700.db2.gz MEHLFIZYKXMBEE-SECBINFHSA-N -1 0 323.353 -0.910 20 0 DBADRM CC[C@H](CO)C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000909204190 977434150 /nfs/dbraw/zinc/43/41/50/977434150.db2.gz SSCAXVUEIGBEDQ-SNVBAGLBSA-N -1 0 300.355 -0.214 20 0 DBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC[C@@H]2CCOC2)C1 ZINC000926590697 977445899 /nfs/dbraw/zinc/44/58/99/977445899.db2.gz FIUMEXAPWUKVFT-DCAQKATOSA-N -1 0 307.368 -0.083 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCCN1CCc2ccccc21 ZINC000927945727 977447397 /nfs/dbraw/zinc/44/73/97/977447397.db2.gz YEVVSRGSRUCSKZ-UHFFFAOYSA-N -1 0 305.334 -0.244 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000990855536 977456065 /nfs/dbraw/zinc/45/60/65/977456065.db2.gz VQFDGKABLKULND-UFBFGSQYSA-N -1 0 324.337 -0.832 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001528454077 1014414884 /nfs/dbraw/zinc/41/48/84/1014414884.db2.gz IJAJCFZYVLAQOJ-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1(C2CC2)CC1 ZINC001528453905 1014416335 /nfs/dbraw/zinc/41/63/35/1014416335.db2.gz FYDZVOMEUJAADO-UHFFFAOYSA-N -1 0 321.337 -0.339 20 0 DBADRM O=C(Cn1cccn1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052201899 977670311 /nfs/dbraw/zinc/67/03/11/977670311.db2.gz OHNUJWKBIGWKQP-LLVKDONJSA-N -1 0 319.369 -0.122 20 0 DBADRM Cc1[nH]ccc1C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001528477795 1014419877 /nfs/dbraw/zinc/41/98/77/1014419877.db2.gz AIIYTJFQEJMOGI-UHFFFAOYSA-N -1 0 322.325 -0.786 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001052359071 977714754 /nfs/dbraw/zinc/71/47/54/977714754.db2.gz UVHGPGLXEXOADL-VIFPVBQESA-N -1 0 320.357 -0.577 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052616861 977776829 /nfs/dbraw/zinc/77/68/29/977776829.db2.gz FRQREIVLQREXSV-VIFPVBQESA-N -1 0 320.357 -0.279 20 0 DBADRM CN(CCNC(=O)[C@@]1(C)C=CCC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001528527705 1014432776 /nfs/dbraw/zinc/43/27/76/1014432776.db2.gz LPABUTCYYQVBGM-AWEZNQCLSA-N -1 0 323.353 -0.380 20 0 DBADRM CC1(C)C[C@H]1C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053223089 977884248 /nfs/dbraw/zinc/88/42/48/977884248.db2.gz VHAMKTSLHFZYOB-JTQLQIEISA-N -1 0 321.381 -0.030 20 0 DBADRM CCN1CC2(C1)CN(C(=O)CCc1n[nH]c(=O)[n-]c1=O)CCO2 ZINC001053325988 977927641 /nfs/dbraw/zinc/92/76/41/977927641.db2.gz LYSCFEUUTHJLMW-UHFFFAOYSA-N -1 0 323.353 -0.852 20 0 DBADRM CCC(=O)N(CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001488438894 1014442934 /nfs/dbraw/zinc/44/29/34/1014442934.db2.gz KJLMDFACTRKIGI-UHFFFAOYSA-N -1 0 313.358 -0.205 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)C1CCC1 ZINC001053715174 978035543 /nfs/dbraw/zinc/03/55/43/978035543.db2.gz UEKQFRQLCDFKHE-SNVBAGLBSA-N -1 0 307.354 -0.230 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)[C@@H]1CCCO1 ZINC001053730104 978042869 /nfs/dbraw/zinc/04/28/69/978042869.db2.gz YBNKMSJPOGMENH-ZJUUUORDSA-N -1 0 323.353 -0.851 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1cn[nH]c1 ZINC001053749322 978053649 /nfs/dbraw/zinc/05/36/49/978053649.db2.gz NUJORWQKIZLWFQ-VIFPVBQESA-N -1 0 319.325 -0.993 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1cocn1 ZINC001053757705 978056370 /nfs/dbraw/zinc/05/63/70/978056370.db2.gz BWMGVPIBFONWPT-QMMMGPOBSA-N -1 0 320.309 -0.728 20 0 DBADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)C1CC=CC1 ZINC001053761948 978060085 /nfs/dbraw/zinc/06/00/85/978060085.db2.gz MSBOKJARJBJHDB-LLVKDONJSA-N -1 0 319.365 -0.064 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2COC3(CN(C[C@H](C)O)C3)C2)c1[O-] ZINC001053775102 978067181 /nfs/dbraw/zinc/06/71/81/978067181.db2.gz QEEGFOLCIWXIFY-WCBMZHEXSA-N -1 0 310.354 -0.622 20 0 DBADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1cc[nH]c1 ZINC001053817172 978092172 /nfs/dbraw/zinc/09/21/72/978092172.db2.gz GCHYMJWEVMVWFT-JTQLQIEISA-N -1 0 318.337 -0.388 20 0 DBADRM CCCN1CC2(C1)C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)CO2 ZINC001053890167 978132759 /nfs/dbraw/zinc/13/27/59/978132759.db2.gz CBVWMQCJICUDLO-JTQLQIEISA-N -1 0 322.365 -0.531 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)COCC(F)F ZINC001208081261 978315614 /nfs/dbraw/zinc/31/56/14/978315614.db2.gz IVEGKARUMKWYHQ-HTQZYQBOSA-N -1 0 319.312 -0.272 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001596383920 1017134878 /nfs/dbraw/zinc/13/48/78/1017134878.db2.gz IEGMVGHMYCHHML-BDAKNGLRSA-N -1 0 308.356 -0.431 20 0 DBADRM CCN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)c1n[nH]c(C)c1[O-] ZINC001528982957 1014499362 /nfs/dbraw/zinc/49/93/62/1014499362.db2.gz HYVXQIIHKCRUEK-VIFPVBQESA-N -1 0 323.353 -0.719 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CCCOCCO ZINC001211195922 978560219 /nfs/dbraw/zinc/56/02/19/978560219.db2.gz ZXXVSBLZWLYSEY-UHFFFAOYSA-N -1 0 307.324 -0.257 20 0 DBADRM CC[C@@H](F)C(=O)NCCN(CC)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001529008238 1014503618 /nfs/dbraw/zinc/50/36/18/1014503618.db2.gz GNIQOEZZURTTIP-MRVPVSSYSA-N -1 0 317.321 -0.598 20 0 DBADRM O=S(=O)(c1cc([O-])cc(F)c1)N(CCO)CCOCCO ZINC001212120987 978624277 /nfs/dbraw/zinc/62/42/77/978624277.db2.gz PUKUQZHPZOGKPB-UHFFFAOYSA-N -1 0 323.342 -0.477 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](C)C(=O)N(C)OC ZINC001213276203 978665449 /nfs/dbraw/zinc/66/54/49/978665449.db2.gz JUEREDKSMNQHJM-QMMMGPOBSA-N -1 0 315.417 -0.263 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cccc(C)c1C(=O)OC ZINC001213912589 978697402 /nfs/dbraw/zinc/69/74/02/978697402.db2.gz HMNMSEGPLYIQAP-UHFFFAOYSA-N -1 0 316.335 -0.262 20 0 DBADRM CCN1C[C@H](NC(=O)COCc2ocnc2C(=O)[O-])CC1=O ZINC001596398498 1017136270 /nfs/dbraw/zinc/13/62/70/1017136270.db2.gz XVMXRIDQORSZJJ-MRVPVSSYSA-N -1 0 311.294 -0.374 20 0 DBADRM COC(=O)[C@H](CCO)Oc1ccc(O)cc1S(=O)(=O)[O-] ZINC001218216914 978822319 /nfs/dbraw/zinc/82/23/19/978822319.db2.gz OLMBCMLUEFJAAN-VIFPVBQESA-N -1 0 306.292 -0.058 20 0 DBADRM CCc1cc2ncc(NC(=O)[C@@H]([NH3+])Cc3nnn[n-]3)cn2n1 ZINC001218734168 978848175 /nfs/dbraw/zinc/84/81/75/978848175.db2.gz RVBNJMBWADOYML-VIFPVBQESA-N -1 0 301.314 -0.687 20 0 DBADRM C[C@H](C[C@@H](C)NC(=O)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001488728464 1014533783 /nfs/dbraw/zinc/53/37/83/1014533783.db2.gz GKZXLVWUIYERQL-RNFRBKRXSA-N -1 0 309.326 -0.294 20 0 DBADRM CCC[C@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219343387 978918023 /nfs/dbraw/zinc/91/80/23/978918023.db2.gz ZFWIXQHETZBYDL-AXFHLTTASA-N -1 0 311.386 -0.002 20 0 DBADRM O=C(CCC1CCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219436615 978942570 /nfs/dbraw/zinc/94/25/70/978942570.db2.gz HQORHKJZCNMQHZ-MNOVXSKESA-N -1 0 309.370 -0.248 20 0 DBADRM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220178642 979127322 /nfs/dbraw/zinc/12/73/22/979127322.db2.gz QNATVIQFTNKDFW-WEDXCCLWSA-N -1 0 301.322 -0.834 20 0 DBADRM O=C(NCCOP(=O)([O-])[O-])[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001220220772 979139611 /nfs/dbraw/zinc/13/96/11/979139611.db2.gz DXJGJNNVCMIMBW-JQWIXIFHSA-N -1 0 322.298 -0.239 20 0 DBADRM [NH3+][C@H](C(=O)NCCOP(=O)([O-])[O-])C1Cc2ccccc2C1 ZINC001220221244 979140574 /nfs/dbraw/zinc/14/05/74/979140574.db2.gz WMWZOYSFNKEJLD-LBPRGKRZSA-N -1 0 314.278 -0.046 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N2CC[C@](OC)(C(=O)[O-])C2)CC1=O ZINC001596402672 1017136926 /nfs/dbraw/zinc/13/69/26/1017136926.db2.gz PUGSBWHQFRGPER-BXKDBHETSA-N -1 0 320.367 -0.888 20 0 DBADRM CC(C)(C)CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220586334 979241745 /nfs/dbraw/zinc/24/17/45/979241745.db2.gz WVQJIMRYTBGQIK-ZJUUUORDSA-N -1 0 311.386 -0.002 20 0 DBADRM CO[C@@H](C)CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221426082 979422235 /nfs/dbraw/zinc/42/22/35/979422235.db2.gz FAVHRYRSXRVFBS-HBNTYKKESA-N -1 0 309.370 -0.032 20 0 DBADRM COCC1(C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CC1 ZINC001221690019 979454751 /nfs/dbraw/zinc/45/47/51/979454751.db2.gz APFILGGQOUFSKT-GHMZBOCLSA-N -1 0 321.381 -0.030 20 0 DBADRM CN(C)C(=O)CCO[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001222559219 979519507 /nfs/dbraw/zinc/51/95/07/979519507.db2.gz XRUFAJFFHXPQJT-LLVKDONJSA-N -1 0 324.399 -0.930 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OCc1cncnc1 ZINC001223219279 979543179 /nfs/dbraw/zinc/54/31/79/979543179.db2.gz LKCXNRQWNJQUMN-LBPRGKRZSA-N -1 0 317.367 -0.418 20 0 DBADRM CO[C@@H]1O[C@H](COCCS(=O)(=O)[O-])[C@H]2OC(C)(C)O[C@@H]12 ZINC001224568088 979576907 /nfs/dbraw/zinc/57/69/07/979576907.db2.gz CKCWCIXGNSDKPM-ZYUZMQFOSA-N -1 0 312.340 -0.218 20 0 DBADRM CS(=O)(=O)N1CCC(COC(=O)[C@@H](O)CC(=O)[O-])CC1 ZINC001225045153 979593049 /nfs/dbraw/zinc/59/30/49/979593049.db2.gz TZJYMOXDRNVMDC-VIFPVBQESA-N -1 0 309.340 -0.963 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1cccnn1 ZINC001225659925 979601592 /nfs/dbraw/zinc/60/15/92/979601592.db2.gz IYZOKUHINHXCBT-JTQLQIEISA-N -1 0 303.340 -0.556 20 0 DBADRM Nc1cccc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001225756690 979602638 /nfs/dbraw/zinc/60/26/38/979602638.db2.gz OGAFWEDCAPJXHC-JTQLQIEISA-N -1 0 317.367 -0.369 20 0 DBADRM O=c1c([O-])c(O[C@H]2CC[C@H](N3CCOCC3)CC2)c(=O)c1=O ZINC001225829717 979608382 /nfs/dbraw/zinc/60/83/82/979608382.db2.gz AVXZXEFWMQNWLL-MGCOHNPYSA-N -1 0 309.318 -0.629 20 0 DBADRM CC(=O)Nc1nc2[nH]cnc2c(OC(=O)[C@H](O)CCC(=O)[O-])n1 ZINC001225829220 979608392 /nfs/dbraw/zinc/60/83/92/979608392.db2.gz JKAPQXOPEWVPSH-ZCFIWIBFSA-N -1 0 323.265 -0.558 20 0 DBADRM COC(=O)[C@@H](Oc1c([O-])c(=O)c(=O)c1=O)c1ccccc1F ZINC001225831537 979608691 /nfs/dbraw/zinc/60/86/91/979608691.db2.gz XBBSBHKIFZMFFU-LBPRGKRZSA-N -1 0 308.217 -0.219 20 0 DBADRM O=c1ncc(F)c(O[C@H]2CO[C@@H]3[C@H](O[N+](=O)[O-])CO[C@H]23)[n-]1 ZINC001225883244 979612034 /nfs/dbraw/zinc/61/20/34/979612034.db2.gz ZFMAPLBRZTZIBO-LXGUWJNJSA-N -1 0 303.202 -0.557 20 0 DBADRM CS(=O)(=O)c1ccc(OC(=O)[C@@H](O)CC(=O)[O-])c(F)c1 ZINC001226082425 979618739 /nfs/dbraw/zinc/61/87/39/979618739.db2.gz VIZIKJNMYIZGEK-QMMMGPOBSA-N -1 0 306.267 -0.030 20 0 DBADRM O=c1cnnc(O[C@H](C[n+]2ccccc2)CS(=O)(=O)[O-])[n-]1 ZINC001226169269 979621676 /nfs/dbraw/zinc/62/16/76/979621676.db2.gz FDMCRUWIAMWISN-SECBINFHSA-O -1 0 313.315 -0.800 20 0 DBADRM CC(=O)OC[C@H](COc1[n-]c(=O)nc2nccnc21)OC(C)=O ZINC001226992464 979651725 /nfs/dbraw/zinc/65/17/25/979651725.db2.gz UHGWSEGBRJBKLJ-SECBINFHSA-N -1 0 322.277 -0.001 20 0 DBADRM COc1nc(O[C@H]2CO[C@@H]3[C@H](O[N+](=O)[O-])CO[C@H]23)cc(=O)[n-]1 ZINC001227002064 979653153 /nfs/dbraw/zinc/65/31/53/979653153.db2.gz AFZBMNWMLILKBD-NAXOPYRSSA-N -1 0 315.238 -0.687 20 0 DBADRM COC(=O)CC(CC(=O)OC)Oc1[n-]c(=O)nc2nc[nH]c21 ZINC001227068550 979657944 /nfs/dbraw/zinc/65/79/44/979657944.db2.gz AJKULEQLYPMEKV-UHFFFAOYSA-N -1 0 310.266 -0.068 20 0 DBADRM O=c1cc(O)nc(O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])[n-]1 ZINC001228389258 979672862 /nfs/dbraw/zinc/67/28/62/979672862.db2.gz UIDBDOAXGSBFBZ-NFNBNWGISA-N -1 0 301.211 -0.990 20 0 DBADRM CC[C@@H](CNC(=O)c1ncn(C)n1)Nc1ccnc(C(=O)[O-])n1 ZINC001595163551 979698358 /nfs/dbraw/zinc/69/83/58/979698358.db2.gz QFOCJPRSLSVQDN-QMMMGPOBSA-N -1 0 319.325 -0.654 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001325279364 979709681 /nfs/dbraw/zinc/70/96/81/979709681.db2.gz OGEFYPBQZOJXGA-GRYCIOLGSA-N -1 0 316.354 -0.619 20 0 DBADRM C[C@H](CN(C)C(=O)c1ccc2n[nH]c(=O)n2c1)c1nnn[n-]1 ZINC001325762038 979713205 /nfs/dbraw/zinc/71/32/05/979713205.db2.gz HBKDBOSOOKVVAF-SSDOTTSWSA-N -1 0 302.298 -0.176 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)[C@@H]1CCCOC1 ZINC001326675317 979752069 /nfs/dbraw/zinc/75/20/69/979752069.db2.gz KSQCZRRRZMWPOB-NXEZZACHSA-N -1 0 301.343 -0.898 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC001326715594 979761068 /nfs/dbraw/zinc/76/10/68/979761068.db2.gz HRJCENHGGNSMBY-WDEREUQCSA-N -1 0 315.370 -0.820 20 0 DBADRM Nc1cn[n-]c(=NNS(=O)(=O)N2CCCOCC2)c1Cl ZINC001326715493 979761125 /nfs/dbraw/zinc/76/11/25/979761125.db2.gz KUFDKVTYCNUTLY-UHFFFAOYSA-N -1 0 322.778 -0.404 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C ZINC001326748800 979762547 /nfs/dbraw/zinc/76/25/47/979762547.db2.gz CUEREXYIPPMDCU-NXEZZACHSA-N -1 0 301.343 -0.804 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](C)OC[C@H]1CC ZINC001326746786 979762860 /nfs/dbraw/zinc/76/28/60/979762860.db2.gz PREGGGSPQQXMKY-VHSXEESVSA-N -1 0 301.343 -0.804 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC001326751706 979764487 /nfs/dbraw/zinc/76/44/87/979764487.db2.gz SZXMVWMDBMXAJU-LLVKDONJSA-N -1 0 308.338 -0.138 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCN(C)CC(F)(F)F)C(=O)[O-] ZINC001326844775 979773216 /nfs/dbraw/zinc/77/32/16/979773216.db2.gz GCAKZSUIVXLWGD-SSDOTTSWSA-N -1 0 313.276 -0.566 20 0 DBADRM CCC(=O)N(CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001529801035 1014601492 /nfs/dbraw/zinc/60/14/92/1014601492.db2.gz RETUGTGYUJRNBR-UHFFFAOYSA-N -1 0 323.353 -0.267 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCn2cccc2[C@@H]1C ZINC001327037327 979787392 /nfs/dbraw/zinc/78/73/92/979787392.db2.gz FXWJDOUSWFMFJJ-JTQLQIEISA-N -1 0 308.338 -0.425 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)CC1CCOCC1 ZINC001327037874 979789123 /nfs/dbraw/zinc/78/91/23/979789123.db2.gz JBCYVEPHTAVBEK-UHFFFAOYSA-N -1 0 301.343 -0.945 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CC)CCc1ccccn1 ZINC001327038059 979789416 /nfs/dbraw/zinc/78/94/16/979789416.db2.gz KTSIGRZLVLJJKV-UHFFFAOYSA-N -1 0 322.365 -0.344 20 0 DBADRM O=C(/C=C/CN1CCOCC1)N1CCc2nc[nH]c(=O)c2C1 ZINC001330455191 979823781 /nfs/dbraw/zinc/82/37/81/979823781.db2.gz ZCCSSNLYWQEYNS-OWOJBTEDSA-N -1 0 304.350 -0.045 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1cn(-c2ccccc2)nn1 ZINC001343106416 979921739 /nfs/dbraw/zinc/92/17/39/979921739.db2.gz UPFTYVCIQHMULM-UHFFFAOYSA-N -1 0 319.321 -0.422 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc(OC(F)F)nc1 ZINC001344731240 980006672 /nfs/dbraw/zinc/00/66/72/980006672.db2.gz XJWWKBHHJKKZEX-UHFFFAOYSA-N -1 0 313.224 -0.549 20 0 DBADRM COc1ccc(CNC(=O)C(=O)[N-]OC2CCOCC2)cn1 ZINC001344892614 980017525 /nfs/dbraw/zinc/01/75/25/980017525.db2.gz MDMVCDCLPPCQOA-UHFFFAOYSA-N -1 0 309.322 -0.067 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1c2ccccc2nn1C ZINC001345220415 980040714 /nfs/dbraw/zinc/04/07/14/980040714.db2.gz KBPFWNGKRYKVLB-UHFFFAOYSA-N -1 0 301.310 -0.120 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC001345343999 980048946 /nfs/dbraw/zinc/04/89/46/980048946.db2.gz NJZRPPBOZVGAAH-UHFFFAOYSA-N -1 0 323.349 -0.129 20 0 DBADRM CCN1CC[C@H](NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1=O ZINC001596410276 1017138904 /nfs/dbraw/zinc/13/89/04/1017138904.db2.gz WXMFCTOXTBWSCH-WDEREUQCSA-N -1 0 313.354 -0.526 20 0 DBADRM COC(=O)NC1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC001345596339 980067878 /nfs/dbraw/zinc/06/78/78/980067878.db2.gz OXSBHALVVOJFNH-UHFFFAOYSA-N -1 0 315.326 -0.830 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC[C@H]1O ZINC001345942734 980101326 /nfs/dbraw/zinc/10/13/26/980101326.db2.gz GXNRTFRQPDUXIR-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cn(Cc2ccccn2)nn1 ZINC001346305548 980128887 /nfs/dbraw/zinc/12/88/87/980128887.db2.gz GUMCUVXPMXSNNO-UHFFFAOYSA-N -1 0 304.310 -0.481 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC(C)(C)C(F)(F)F ZINC001346388804 980138179 /nfs/dbraw/zinc/13/81/79/980138179.db2.gz SCGXWJMXCMNLEZ-UHFFFAOYSA-N -1 0 313.276 -0.125 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@@](C)(CC)C1 ZINC001346414906 980140885 /nfs/dbraw/zinc/14/08/85/980140885.db2.gz KCUHOCRLIFEVIJ-ZDUSSCGKSA-N -1 0 301.343 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC(F)(F)C(F)(F)C1 ZINC001346416276 980141107 /nfs/dbraw/zinc/14/11/07/980141107.db2.gz WPKRWGCQONRTLP-UHFFFAOYSA-N -1 0 315.223 -0.717 20 0 DBADRM CON1CCC(N(C)C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC001346516286 980149402 /nfs/dbraw/zinc/14/94/02/980149402.db2.gz NKAAURZOVIZNED-VIFPVBQESA-N -1 0 301.343 -0.693 20 0 DBADRM CCCc1cnc(NC(=O)C(=O)NN2CC(=O)NC2=O)s1 ZINC001346542362 980151250 /nfs/dbraw/zinc/15/12/50/980151250.db2.gz BIEMRNYHENVLTI-UHFFFAOYSA-N -1 0 311.323 -0.383 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cccc2c1CCN(C)C2=O ZINC001346859829 980174753 /nfs/dbraw/zinc/17/47/53/980174753.db2.gz MQTDSLDQJKWVPJ-UHFFFAOYSA-N -1 0 321.333 -0.053 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N[C@@H]2CCOC2)n1 ZINC001347045880 980190824 /nfs/dbraw/zinc/19/08/24/980190824.db2.gz HQWZRQQDAXPMSN-MRVPVSSYSA-N -1 0 310.310 -0.454 20 0 DBADRM Cn1cnc(CCCNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC001347060486 980193515 /nfs/dbraw/zinc/19/35/15/980193515.db2.gz DOERCZXRTCMEQB-UHFFFAOYSA-N -1 0 323.353 -0.765 20 0 DBADRM CN1CCC[C@@H](C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)C1=O ZINC001347307433 980212635 /nfs/dbraw/zinc/21/26/35/980212635.db2.gz SETNODMIZKKJBB-GHMZBOCLSA-N -1 0 306.370 -0.151 20 0 DBADRM CN1CCC[C@H](C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)C1=O ZINC001347307434 980212759 /nfs/dbraw/zinc/21/27/59/980212759.db2.gz SETNODMIZKKJBB-MNOVXSKESA-N -1 0 306.370 -0.151 20 0 DBADRM CC/C=C(\C)C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001348175970 980263360 /nfs/dbraw/zinc/26/33/60/980263360.db2.gz NPZHPBYMRVRCSV-RUDMXATFSA-N -1 0 321.337 -0.077 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001595278876 980315216 /nfs/dbraw/zinc/31/52/16/980315216.db2.gz KQHMQWZAEIIBQQ-GARJFASQSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001595279588 980321172 /nfs/dbraw/zinc/32/11/72/980321172.db2.gz SONBQLXKXFEYBC-GARJFASQSA-N -1 0 314.338 -0.234 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)C2(C(=O)N(C)C)CC2)c1[O-] ZINC001348789705 980363539 /nfs/dbraw/zinc/36/35/39/980363539.db2.gz VRGZTOGSBJVKPR-UHFFFAOYSA-N -1 0 323.353 -0.862 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001349354250 980458062 /nfs/dbraw/zinc/45/80/62/980458062.db2.gz DRDBISRZZNGYMR-JDQBZHCWSA-N -1 0 304.368 -0.761 20 0 DBADRM CC(=O)N1CCC(CNC(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001349354033 980458330 /nfs/dbraw/zinc/45/83/30/980458330.db2.gz BUVWPMNDYXVVLV-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM C[C@H]1CCC[C@H](C(=O)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001349408285 980464921 /nfs/dbraw/zinc/46/49/21/980464921.db2.gz WBLLFYDVOPWLMS-IUCAKERBSA-N -1 0 323.353 -0.045 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](OC)CC[C@@H]1C ZINC001349426604 980468103 /nfs/dbraw/zinc/46/81/03/980468103.db2.gz AYAMCZYEXBEMEG-UWVGGRQHSA-N -1 0 301.343 -0.804 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(c3ccc4nnnn4n3)C2)nn1 ZINC001349486443 980477328 /nfs/dbraw/zinc/47/73/28/980477328.db2.gz FRFKTJGZGIHGHT-ZETCQYMHSA-N -1 0 301.270 -0.740 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCOC(C)(C)C1 ZINC001349753515 980504384 /nfs/dbraw/zinc/50/43/84/980504384.db2.gz LEBMZHMFHHUDIS-UHFFFAOYSA-N -1 0 301.343 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC001349753035 980505025 /nfs/dbraw/zinc/50/50/25/980505025.db2.gz JVBCJKQQRRNDBB-GHMZBOCLSA-N -1 0 314.386 -0.889 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1Cc2ccc(OC)cc2C1 ZINC001349901155 980522681 /nfs/dbraw/zinc/52/26/81/980522681.db2.gz CCVIVAOOYNNEEL-UHFFFAOYSA-N -1 0 321.333 -0.279 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)Cc2ncc[nH]2)c1[O-] ZINC001349906002 980524453 /nfs/dbraw/zinc/52/44/53/980524453.db2.gz UBIKKWRUIWWHEN-UHFFFAOYSA-N -1 0 306.326 -0.374 20 0 DBADRM CSCCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001350006850 980531615 /nfs/dbraw/zinc/53/16/15/980531615.db2.gz QPOBRJQLXQYYGM-UHFFFAOYSA-N -1 0 310.397 -0.319 20 0 DBADRM CC[C@H](O)[C@@H](C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001595327843 980551781 /nfs/dbraw/zinc/55/17/81/980551781.db2.gz XVRLHJYOHJSQBI-JDVQERKKSA-N -1 0 307.368 -0.603 20 0 DBADRM CC[C@H](O)[C@H](C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001595327846 980551860 /nfs/dbraw/zinc/55/18/60/980551860.db2.gz XVRLHJYOHJSQBI-PHGLEFOZSA-N -1 0 307.368 -0.603 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N[C@H](CO)CC(F)F ZINC001350312141 980559189 /nfs/dbraw/zinc/55/91/89/980559189.db2.gz AQTGTPOWGTUMOJ-LURJTMIESA-N -1 0 317.248 -0.149 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)NCCSCCC(=O)[O-])nn1 ZINC001595331839 980575655 /nfs/dbraw/zinc/57/56/55/980575655.db2.gz LNQVKKSAFOEVQD-VIFPVBQESA-N -1 0 316.383 -0.013 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N2CCSC[C@@H]2C(=O)[O-])nn1 ZINC001595332659 980580924 /nfs/dbraw/zinc/58/09/24/980580924.db2.gz YPFBQSOIFKKOHF-WCBMZHEXSA-N -1 0 314.367 -0.309 20 0 DBADRM CCC(=O)NCc1nc(CNCC(=O)NC(C)C)cc(=O)[nH]1 ZINC001489070596 1014670022 /nfs/dbraw/zinc/67/00/22/1014670022.db2.gz CROLZCNGVMAGGZ-UHFFFAOYSA-N -1 0 309.370 -0.177 20 0 DBADRM CC[C@H](OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C(=O)OC ZINC001595340434 980618382 /nfs/dbraw/zinc/61/83/82/980618382.db2.gz OPQCBZDOVDVJBQ-BDAKNGLRSA-N -1 0 301.295 -0.196 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC(C)(C)c1ccccc1 ZINC001351235583 980635370 /nfs/dbraw/zinc/63/53/70/980635370.db2.gz BRXBWTGZYHGDRP-UHFFFAOYSA-N -1 0 307.350 -0.126 20 0 DBADRM CC[C@H](C)C(=O)NCCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001351253590 980637054 /nfs/dbraw/zinc/63/70/54/980637054.db2.gz WNTRHKBSQRNCGF-VIFPVBQESA-N -1 0 313.358 -0.300 20 0 DBADRM COc1ccc(CCNC(=O)C(=O)NC[C@H](C)C(=O)[O-])cn1 ZINC001351547217 980664607 /nfs/dbraw/zinc/66/46/07/980664607.db2.gz ZAXHWKITNMSBSD-VIFPVBQESA-N -1 0 309.322 -0.414 20 0 DBADRM CCC[C@@H](C)C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001530382006 1014674555 /nfs/dbraw/zinc/67/45/55/1014674555.db2.gz PEDPWGIRRXRSTD-SECBINFHSA-N -1 0 322.365 -0.137 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC001351647820 980678171 /nfs/dbraw/zinc/67/81/71/980678171.db2.gz UWKFFQKBIJTZQN-LLVKDONJSA-N -1 0 313.354 -0.945 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@]2(CCSC2)C1 ZINC001351644201 980678406 /nfs/dbraw/zinc/67/84/06/980678406.db2.gz CCAMYQIUJXWZPY-CYBMUJFWSA-N -1 0 315.395 -0.474 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC001351647680 980678458 /nfs/dbraw/zinc/67/84/58/980678458.db2.gz UEIXAWOGPHZWNL-SSDOTTSWSA-N -1 0 311.260 -0.419 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccc(F)c(F)c1 ZINC001351643679 980678525 /nfs/dbraw/zinc/67/85/25/980678525.db2.gz SOPJPJPGQIKEPT-UHFFFAOYSA-N -1 0 315.276 -0.283 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCSC2(CCC2)C1 ZINC001351645101 980678573 /nfs/dbraw/zinc/67/85/73/980678573.db2.gz HCCPCWFWQDSUQU-VIFPVBQESA-N -1 0 315.395 -0.285 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@]2(CCSC2)C1 ZINC001351644202 980678665 /nfs/dbraw/zinc/67/86/65/980678665.db2.gz CCAMYQIUJXWZPY-ZDUSSCGKSA-N -1 0 315.395 -0.474 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)CCCOc1ccccc1 ZINC001351641672 980678929 /nfs/dbraw/zinc/67/89/29/980678929.db2.gz FRFCNRJOQWCKBB-UHFFFAOYSA-N -1 0 323.349 -0.292 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1Cc2cccc(OC)c2C1 ZINC001352610864 980735144 /nfs/dbraw/zinc/73/51/44/980735144.db2.gz ZXSCUKVWFBHDID-UHFFFAOYSA-N -1 0 304.310 -0.121 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@H](C(F)F)CC1 ZINC001352653943 980737959 /nfs/dbraw/zinc/73/79/59/980737959.db2.gz QAOSDRYKMJYHCP-QMMMGPOBSA-N -1 0 323.296 -0.947 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cncc(N3CCCC3)n2)C1=O ZINC001352900352 980759873 /nfs/dbraw/zinc/75/98/73/980759873.db2.gz KZEZUKPJUFTDFF-UHFFFAOYSA-N -1 0 304.310 -0.384 20 0 DBADRM C[C@H]1CCN(C(=O)NCCOCCOCC(=O)[O-])CCO1 ZINC001353139789 980782367 /nfs/dbraw/zinc/78/23/67/980782367.db2.gz VORGAKDKMPHXTO-NSHDSACASA-N -1 0 304.343 -0.075 20 0 DBADRM Nc1ccc(S(=O)(=O)N2Cc3nncn3C[C@H]2C(=O)[O-])cc1 ZINC001355386102 980892212 /nfs/dbraw/zinc/89/22/12/980892212.db2.gz SUTCPKPEUQRGNA-JTQLQIEISA-N -1 0 323.334 -0.482 20 0 DBADRM CC/C(C)=C\C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001530426191 1014691533 /nfs/dbraw/zinc/69/15/33/1014691533.db2.gz MWTAKQOOLXDMJV-DAXSKMNVSA-N -1 0 307.310 -0.420 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001355929637 980917678 /nfs/dbraw/zinc/91/76/78/980917678.db2.gz PDDKSUOOZSEFHB-GFCCVEGCSA-N -1 0 324.385 -0.006 20 0 DBADRM CCN(CCNC(=O)C1CC=CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001356012356 980919403 /nfs/dbraw/zinc/91/94/03/980919403.db2.gz UNIGFDOSVNOTET-UHFFFAOYSA-N -1 0 323.353 -0.380 20 0 DBADRM C/C=C(/C)C(=O)N1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001356775628 980981276 /nfs/dbraw/zinc/98/12/76/980981276.db2.gz QGNHXLAWTHVPDI-BAQGIRSFSA-N -1 0 321.337 -0.491 20 0 DBADRM C/C=C(\C)C(=O)N1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001356775629 980981971 /nfs/dbraw/zinc/98/19/71/980981971.db2.gz QGNHXLAWTHVPDI-FPYGCLRLSA-N -1 0 321.337 -0.491 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)[C@@H]2CCNC2=O)c1[O-] ZINC001357017852 981024980 /nfs/dbraw/zinc/02/49/80/981024980.db2.gz CVDLICDUXKQCIN-VXNVDRBHSA-N -1 0 323.353 -0.958 20 0 DBADRM O=C(CC1CCC1)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001357696420 981084816 /nfs/dbraw/zinc/08/48/16/981084816.db2.gz OLZZKKVDFGGIKS-OWOJBTEDSA-N -1 0 321.337 -0.125 20 0 DBADRM CC/C=C(\C)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001358286039 981122655 /nfs/dbraw/zinc/12/26/55/981122655.db2.gz UKZABLXAYSIFAN-WVXIBAHESA-N -1 0 309.326 -0.126 20 0 DBADRM O=C(/C=C\C1CC1)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001358678772 981169210 /nfs/dbraw/zinc/16/92/10/981169210.db2.gz CQVUIWVQSLZIHG-ARJAWSKDSA-N -1 0 319.321 -0.372 20 0 DBADRM CN(C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1nnn[n-]1 ZINC001361435378 981232467 /nfs/dbraw/zinc/23/24/67/981232467.db2.gz GSKWXLGLOANTDN-UHFFFAOYSA-N -1 0 322.350 -0.083 20 0 DBADRM CN(C(=O)Cc1csc(N2CCCC2=O)n1)c1nnn[n-]1 ZINC001361564983 981260526 /nfs/dbraw/zinc/26/05/26/981260526.db2.gz CIICTPDKJZPSGE-UHFFFAOYSA-N -1 0 307.339 -0.012 20 0 DBADRM NC(=O)C1(CNC(=O)c2c[n-]n3c2nccc3=O)CCOCC1 ZINC001361639553 981284481 /nfs/dbraw/zinc/28/44/81/981284481.db2.gz NUYJUUFUYZDJHN-UHFFFAOYSA-N -1 0 319.321 -0.966 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cnc2ccnn2c1 ZINC001361665667 981293785 /nfs/dbraw/zinc/29/37/85/981293785.db2.gz AHDCHEXFEMEUTK-UHFFFAOYSA-N -1 0 310.277 -0.247 20 0 DBADRM CNC(=O)Nc1ccc(C(=O)N=c2nn[n-]n2CCOC)cc1 ZINC001361763236 981315777 /nfs/dbraw/zinc/31/57/77/981315777.db2.gz IEYHGDFJCMHREG-UHFFFAOYSA-N -1 0 319.325 -0.255 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)CCO1 ZINC001361770414 981318336 /nfs/dbraw/zinc/31/83/36/981318336.db2.gz UUMSVONTABHXCX-SECBINFHSA-N -1 0 306.278 -0.963 20 0 DBADRM COc1coc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1=O ZINC001361786776 981322951 /nfs/dbraw/zinc/32/29/51/981322951.db2.gz ZKGNSBNBLKDWJG-SECBINFHSA-N -1 0 307.266 -0.625 20 0 DBADRM CCCCN(CC(N)=O)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001361805784 981329744 /nfs/dbraw/zinc/32/97/44/981329744.db2.gz LOILITVFCWKCBZ-UHFFFAOYSA-N -1 0 317.353 -0.198 20 0 DBADRM CN(C)C(=O)CN(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001361871386 981346670 /nfs/dbraw/zinc/34/66/70/981346670.db2.gz RASHTYPWKXAJTM-UHFFFAOYSA-N -1 0 303.326 -0.765 20 0 DBADRM CNC(=O)CCN(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001361905818 981355754 /nfs/dbraw/zinc/35/57/54/981355754.db2.gz NWAUYQUDNAMSAN-UHFFFAOYSA-N -1 0 303.326 -0.717 20 0 DBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)CCCc1nnn[n-]1 ZINC001361915623 981357610 /nfs/dbraw/zinc/35/76/10/981357610.db2.gz VUHLDLQGZRXVEV-JTQLQIEISA-N -1 0 319.412 -0.532 20 0 DBADRM C[C@@H](O)c1ncc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)s1 ZINC001361920785 981361044 /nfs/dbraw/zinc/36/10/44/981361044.db2.gz AZJPPIAZIJCULN-RQJHMYQMSA-N -1 0 310.339 -0.077 20 0 DBADRM CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)Nc1nnn[n-]1)=NO2 ZINC001361934200 981364764 /nfs/dbraw/zinc/36/47/64/981364764.db2.gz XXNTWUQMJWSNLT-UHFFFAOYSA-N -1 0 323.313 -0.096 20 0 DBADRM CCCN(CC(=O)NC)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001361956287 981371936 /nfs/dbraw/zinc/37/19/36/981371936.db2.gz GHNXXNRYAFZSGV-UHFFFAOYSA-N -1 0 317.353 -0.327 20 0 DBADRM CN(C)C(=O)[C@@H]1CSCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001361973620 981376978 /nfs/dbraw/zinc/37/69/78/981376978.db2.gz HIZHBJWHGFYXLW-LURJTMIESA-N -1 0 317.396 -0.408 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CSC[C@H]1C(=O)NCC1CC1 ZINC001362026185 981390098 /nfs/dbraw/zinc/39/00/98/981390098.db2.gz VTDLUJQJUAYBMB-VIFPVBQESA-N -1 0 310.383 -0.440 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(Cc2ccncc2)CC1 ZINC001362024568 981390758 /nfs/dbraw/zinc/39/07/58/981390758.db2.gz KLCFABFNJTZIOZ-UHFFFAOYSA-N -1 0 318.337 -0.571 20 0 DBADRM NC(=O)CCN(Cc1ccccc1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362055594 981401797 /nfs/dbraw/zinc/40/17/97/981401797.db2.gz AMBCEYFFBFTABD-UHFFFAOYSA-N -1 0 319.321 -0.407 20 0 DBADRM Cc1nc(N)nc(C)c1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362060061 981404809 /nfs/dbraw/zinc/40/48/09/981404809.db2.gz IAEQZRFQLXXXFW-QMMMGPOBSA-N -1 0 304.314 -0.598 20 0 DBADRM COC(=O)C[C@@H](C)N1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001362068024 981408239 /nfs/dbraw/zinc/40/82/39/981408239.db2.gz PUALDMOTOIXPSP-LLVKDONJSA-N -1 0 324.385 -0.382 20 0 DBADRM CCC[C@@H](NC(=O)C1CN(S(C)(=O)=O)C1)c1nnn[n-]1 ZINC001362070137 981409116 /nfs/dbraw/zinc/40/91/16/981409116.db2.gz QOICSGRHKLYWMQ-MRVPVSSYSA-N -1 0 302.360 -0.952 20 0 DBADRM O=C(c1cn2c(n1)COCC2)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362086133 981414050 /nfs/dbraw/zinc/41/40/50/981414050.db2.gz AWOZIMDFLLRZNW-VIFPVBQESA-N -1 0 305.298 -0.860 20 0 DBADRM CCOC(=O)N[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001362101026 981421489 /nfs/dbraw/zinc/42/14/89/981421489.db2.gz ULRUGMATUXQQLN-MRVPVSSYSA-N -1 0 313.314 -0.574 20 0 DBADRM NC(=O)NC[C@H]1CCCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001362105757 981422758 /nfs/dbraw/zinc/42/27/58/981422758.db2.gz AMUNGEIPNPWMQL-SECBINFHSA-N -1 0 318.337 -0.314 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)Nc2cnn(CC(N)=O)c2)cc1=O ZINC001362109442 981424214 /nfs/dbraw/zinc/42/42/14/981424214.db2.gz NSVAJIAGTWQWAB-UHFFFAOYSA-N -1 0 320.353 -0.305 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CCc1nnn[n-]1 ZINC001362122528 981428618 /nfs/dbraw/zinc/42/86/18/981428618.db2.gz IWJYOLLIHCJQIS-VIFPVBQESA-N -1 0 316.387 -0.937 20 0 DBADRM CC(C)COC[C@@H](O)CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362131798 981432432 /nfs/dbraw/zinc/43/24/32/981432432.db2.gz SUDHWUOVEKRGHJ-QMMMGPOBSA-N -1 0 304.372 -0.248 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)Nc2nnn[n-]2)c(Cl)cn1 ZINC001362142184 981437603 /nfs/dbraw/zinc/43/76/03/981437603.db2.gz SWDOWUQMJHAIKZ-UHFFFAOYSA-N -1 0 302.703 -0.096 20 0 DBADRM O=C(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1ccccc1 ZINC001362146953 981438567 /nfs/dbraw/zinc/43/85/67/981438567.db2.gz MVJBMCNNZWYSRS-UHFFFAOYSA-N -1 0 305.294 -0.166 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H](C)CS(=O)(=O)CC ZINC001362150535 981440773 /nfs/dbraw/zinc/44/07/73/981440773.db2.gz AKXDHGXZMIIURF-QMMMGPOBSA-N -1 0 320.371 -0.639 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)CS(=O)(=O)CC ZINC001362150531 981441051 /nfs/dbraw/zinc/44/10/51/981441051.db2.gz AKXDHGXZMIIURF-MRVPVSSYSA-N -1 0 320.371 -0.639 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCCC2(C1)OCCO2 ZINC001362173794 981448899 /nfs/dbraw/zinc/44/88/99/981448899.db2.gz CTFHNEHWSULISF-UHFFFAOYSA-N -1 0 312.326 -0.165 20 0 DBADRM COC(=O)[C@H](O)C1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001362187826 981453669 /nfs/dbraw/zinc/45/36/69/981453669.db2.gz GKGMPGHXBASINE-GFCCVEGCSA-N -1 0 311.342 -0.705 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCO1 ZINC001362185661 981453789 /nfs/dbraw/zinc/45/37/89/981453789.db2.gz JAVQHFMZVMGWBC-ZETCQYMHSA-N -1 0 316.339 -0.607 20 0 DBADRM CC[C@H](NC(=O)CCCc1nnn[n-]1)C(=O)N1CCOCC1 ZINC001362195760 981455687 /nfs/dbraw/zinc/45/56/87/981455687.db2.gz CCXBVUGNMXTLQR-JTQLQIEISA-N -1 0 310.358 -0.724 20 0 DBADRM Cn1[n-]c(C(=O)NCc2cccc(CS(N)(=O)=O)c2)cc1=O ZINC001362196636 981455707 /nfs/dbraw/zinc/45/57/07/981455707.db2.gz CROKRMCODWTYBL-UHFFFAOYSA-N -1 0 324.362 -0.156 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(c2ccccc2O)CC1 ZINC001362240005 981476211 /nfs/dbraw/zinc/47/62/11/981476211.db2.gz UJGOYFJVPDGBLM-UHFFFAOYSA-N -1 0 319.321 -0.256 20 0 DBADRM O=C(c1cnn2c1NCCC2)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362243290 981478781 /nfs/dbraw/zinc/47/87/81/981478781.db2.gz CBBAFYHHVNQAEL-VIFPVBQESA-N -1 0 304.314 -0.575 20 0 DBADRM NC(=O)CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C1CCCC1 ZINC001362252007 981483436 /nfs/dbraw/zinc/48/34/36/981483436.db2.gz JCMSOLYJZYBJGQ-UHFFFAOYSA-N -1 0 311.342 -0.274 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)Nc2cc(C(N)=O)[nH]n2)cc1=O ZINC001362252941 981483488 /nfs/dbraw/zinc/48/34/88/981483488.db2.gz AGZPWFXOZKJVGH-UHFFFAOYSA-N -1 0 306.326 -0.164 20 0 DBADRM COc1cc(CCNC(=O)c2n[nH]c(=O)[n-]c2=O)ccc1O ZINC001362264314 981488223 /nfs/dbraw/zinc/48/82/23/981488223.db2.gz UTSKEXLSGDRVMS-UHFFFAOYSA-N -1 0 306.278 -0.031 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)nn1 ZINC001362306976 981507498 /nfs/dbraw/zinc/50/74/98/981507498.db2.gz AOLPLLQKMRKQOB-NXEZZACHSA-N -1 0 320.357 -0.418 20 0 DBADRM O=C(NCCc1nnc2n1CCCC2)c1n[nH]c(=O)[n-]c1=O ZINC001362310205 981509095 /nfs/dbraw/zinc/50/90/95/981509095.db2.gz MCNFJORMIAXJIA-UHFFFAOYSA-N -1 0 305.298 -0.817 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCN(C(=O)c2cccnc2)CC1 ZINC001362310361 981509284 /nfs/dbraw/zinc/50/92/84/981509284.db2.gz IEMXSVDMCFMGON-UHFFFAOYSA-N -1 0 315.337 -0.488 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@@H](CO)C(=O)OCc1ccccc1 ZINC001362318276 981512447 /nfs/dbraw/zinc/51/24/47/981512447.db2.gz HIJCTNZDGFTTMX-NSHDSACASA-N -1 0 319.321 -0.647 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1COCCN1CC(F)F)c1nnn[n-]1 ZINC001362323853 981513161 /nfs/dbraw/zinc/51/31/61/981513161.db2.gz JUXFRVGSCDZKNY-BDAKNGLRSA-N -1 0 318.328 -0.273 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1nc(C(F)(F)F)no1 ZINC001362323433 981514230 /nfs/dbraw/zinc/51/42/30/981514230.db2.gz UDDCCFVHKIOCBR-UHFFFAOYSA-N -1 0 308.176 -0.593 20 0 DBADRM C[C@H](CN(C)C(=O)C[C@@H]1CCCS1(=O)=O)c1nnn[n-]1 ZINC001362327481 981514663 /nfs/dbraw/zinc/51/46/63/981514663.db2.gz RCDASTPJOWTELA-BDAKNGLRSA-N -1 0 301.372 -0.271 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001362338041 981519628 /nfs/dbraw/zinc/51/96/28/981519628.db2.gz YOUXJJRBMZMAQQ-SECBINFHSA-N -1 0 307.335 -0.223 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)Nc2nn[nH]n2)C1 ZINC001362341872 981521939 /nfs/dbraw/zinc/52/19/39/981521939.db2.gz WHXLFUIEJCMKJR-LBPRGKRZSA-N -1 0 312.330 -0.100 20 0 DBADRM CC(C)c1nnsc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001362353477 981526386 /nfs/dbraw/zinc/52/63/86/981526386.db2.gz WQWNWSXQDZHGDD-UHFFFAOYSA-N -1 0 320.396 -0.143 20 0 DBADRM C[C@@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@@H](CO)O1 ZINC001362361259 981531047 /nfs/dbraw/zinc/53/10/47/981531047.db2.gz GQQADGJMQLAUSI-SKDRFNHKSA-N -1 0 318.337 -0.703 20 0 DBADRM CC1(C)CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@]2(CCOC2)O1 ZINC001362377116 981538646 /nfs/dbraw/zinc/53/86/46/981538646.db2.gz JTPYILQXYOKJFB-CYBMUJFWSA-N -1 0 312.326 -0.514 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001362385152 981542353 /nfs/dbraw/zinc/54/23/53/981542353.db2.gz MEFXCFTWLKTSJA-QMMMGPOBSA-N -1 0 322.325 -0.842 20 0 DBADRM O=C([C@H](O)C1CCCCC1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362391706 981545860 /nfs/dbraw/zinc/54/58/60/981545860.db2.gz XIHQKHXBRQDQKN-LLVKDONJSA-N -1 0 309.370 -0.049 20 0 DBADRM C[C@@H]1[C@H](CO)CCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362399396 981546534 /nfs/dbraw/zinc/54/65/34/981546534.db2.gz HDRKLOJQJVDMDS-KOLCDFICSA-N -1 0 302.338 -0.082 20 0 DBADRM COC(=O)[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccsc1 ZINC001362406283 981551748 /nfs/dbraw/zinc/55/17/48/981551748.db2.gz BHQXFVCFWXVLBN-ZCFIWIBFSA-N -1 0 310.291 -0.012 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362407152 981555363 /nfs/dbraw/zinc/55/53/63/981555363.db2.gz NPQGVDXMYOIEIF-BDAKNGLRSA-N -1 0 301.372 -0.414 20 0 DBADRM NC(=O)C[C@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001362413308 981557480 /nfs/dbraw/zinc/55/74/80/981557480.db2.gz HCTUVEMUFROKPC-SECBINFHSA-N -1 0 303.322 -0.250 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@@]1(O)CCSC1 ZINC001362422308 981561835 /nfs/dbraw/zinc/56/18/35/981561835.db2.gz ADDLMANJQWLUGH-NSHDSACASA-N -1 0 302.356 -0.546 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@]1(O)CCSC1 ZINC001362422301 981562188 /nfs/dbraw/zinc/56/21/88/981562188.db2.gz ADDLMANJQWLUGH-LLVKDONJSA-N -1 0 302.356 -0.546 20 0 DBADRM Cc1nc(Cn2nnc(C(=O)[N-]N3CCCNC3=O)c2C)no1 ZINC001362425093 981562772 /nfs/dbraw/zinc/56/27/72/981562772.db2.gz HGMFULBRLMFXRO-UHFFFAOYSA-N -1 0 320.313 -0.614 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCn3nccc32)c1 ZINC001362428656 981564120 /nfs/dbraw/zinc/56/41/20/981564120.db2.gz QKKGFANTAQEDEP-UHFFFAOYSA-N -1 0 308.319 -0.104 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001362427089 981564264 /nfs/dbraw/zinc/56/42/64/981564264.db2.gz RONQGDZEXNYFME-XVKPBYJWSA-N -1 0 311.342 -0.818 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001362432654 981567369 /nfs/dbraw/zinc/56/73/69/981567369.db2.gz WLLBOICIDJWBCJ-MRVPVSSYSA-N -1 0 311.298 -0.868 20 0 DBADRM Cc1n[nH]c(C)c1CCC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362435407 981567602 /nfs/dbraw/zinc/56/76/02/981567602.db2.gz JPVDZSKSBLNJOZ-UHFFFAOYSA-N -1 0 319.369 -0.018 20 0 DBADRM C[C@H](CC(=O)N1CCC(O)(c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001362435576 981569938 /nfs/dbraw/zinc/56/99/38/981569938.db2.gz KTWRIRGEQLRPFJ-SNVBAGLBSA-N -1 0 319.369 -0.063 20 0 DBADRM Cc1cccc(OC[C@H](O)CNC(=O)CCc2nnn[n-]2)c1 ZINC001362443493 981573285 /nfs/dbraw/zinc/57/32/85/981573285.db2.gz WAJGSVRWIUZOOC-LLVKDONJSA-N -1 0 305.338 -0.003 20 0 DBADRM Cn1[nH]c(C2CCN(C(=O)c3c[n-]ncc3=O)CC2)nc1=N ZINC001362446125 981575101 /nfs/dbraw/zinc/57/51/01/981575101.db2.gz SULNCRQMSBBEQX-UHFFFAOYSA-N -1 0 303.326 -0.257 20 0 DBADRM C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1cnccn1 ZINC001362464770 981582678 /nfs/dbraw/zinc/58/26/78/981582678.db2.gz GBXTWNBSOFCJQZ-MRVPVSSYSA-N -1 0 300.340 -0.838 20 0 DBADRM CCOC1CC2(C[C@@H]2C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC001362468584 981585611 /nfs/dbraw/zinc/58/56/11/981585611.db2.gz OKEHWOQOAZKAHY-RUETXSTFSA-N -1 0 318.395 -0.226 20 0 DBADRM CCN1CC[C@@H](NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1=O ZINC001596410274 1017140492 /nfs/dbraw/zinc/14/04/92/1017140492.db2.gz WXMFCTOXTBWSCH-MNOVXSKESA-N -1 0 313.354 -0.526 20 0 DBADRM Cn1ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1Cl ZINC001362471116 981588153 /nfs/dbraw/zinc/58/81/53/981588153.db2.gz WSQOFQPTBONGPA-UHFFFAOYSA-N -1 0 308.747 -0.731 20 0 DBADRM CC1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCS1(=O)=O ZINC001362485230 981594436 /nfs/dbraw/zinc/59/44/36/981594436.db2.gz DJOXZPVGQBVSSS-UHFFFAOYSA-N -1 0 316.339 -0.678 20 0 DBADRM CO[C@@]1(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CCOC1 ZINC001362496208 981600526 /nfs/dbraw/zinc/60/05/26/981600526.db2.gz FZXNYCLRVLFMKP-GFCCVEGCSA-N -1 0 300.315 -0.609 20 0 DBADRM CN(C)C(=O)OC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001362497575 981601543 /nfs/dbraw/zinc/60/15/43/981601543.db2.gz SZXGDVYNRAWURC-UHFFFAOYSA-N -1 0 313.314 -0.622 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H](CO)c1ccccn1 ZINC001362508215 981607699 /nfs/dbraw/zinc/60/76/99/981607699.db2.gz LLBUUHVVLYWLJN-LLVKDONJSA-N -1 0 314.305 -0.684 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@H]2CC(C(N)=O)=NO2)cc1=O ZINC001362525711 981623858 /nfs/dbraw/zinc/62/38/58/981623858.db2.gz UPTSILFDKPFSST-SNVBAGLBSA-N -1 0 323.353 -0.879 20 0 DBADRM CNC(=O)N[C@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001362526157 981627031 /nfs/dbraw/zinc/62/70/31/981627031.db2.gz HLAUDHKNOKBQND-LURJTMIESA-N -1 0 300.344 -0.868 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362533745 981637534 /nfs/dbraw/zinc/63/75/34/981637534.db2.gz OQDCSEDDPXVWKC-JGVFFNPUSA-N -1 0 302.356 -0.087 20 0 DBADRM CC1(CCNC(=O)c2cccc(-n3[n-]nnc3=N)c2)OCCO1 ZINC001362533793 981637747 /nfs/dbraw/zinc/63/77/47/981637747.db2.gz OTYKEJDQYGCJRQ-UHFFFAOYSA-N -1 0 318.337 -0.042 20 0 DBADRM O=C(c1nc[n-]c(=O)c1Br)N1C[C@H](CO)[C@H](O)C1 ZINC001362535451 981638244 /nfs/dbraw/zinc/63/82/44/981638244.db2.gz MACJTAPVSZKRPM-PHDIDXHHSA-N -1 0 318.127 -0.630 20 0 DBADRM COCCn1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cn1 ZINC001362558108 981678922 /nfs/dbraw/zinc/67/89/22/981678922.db2.gz BKBIQENYCNYFHM-UHFFFAOYSA-N -1 0 321.341 -0.834 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)n1 ZINC001362560529 981679708 /nfs/dbraw/zinc/67/97/08/981679708.db2.gz FNOZHBCYIOMKCH-VIFPVBQESA-N -1 0 319.325 -0.411 20 0 DBADRM CN1CC[C@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C1=O ZINC001362564442 981688537 /nfs/dbraw/zinc/68/85/37/981688537.db2.gz XTTXZIDUNGWODR-JTQLQIEISA-N -1 0 301.310 -0.965 20 0 DBADRM CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362566031 981691906 /nfs/dbraw/zinc/69/19/06/981691906.db2.gz AVQIKOTXYUOGKU-SECBINFHSA-N -1 0 317.305 -0.630 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)CCCc2nnn[n-]2)O1 ZINC001362565280 981692019 /nfs/dbraw/zinc/69/20/19/981692019.db2.gz BRVIDWVMSQPRIS-NXEZZACHSA-N -1 0 310.358 -0.726 20 0 DBADRM CSc1nccnc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001362570451 981703997 /nfs/dbraw/zinc/70/39/97/981703997.db2.gz SKTMHHHKXNZVAK-UHFFFAOYSA-N -1 0 318.380 -0.606 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCS(=O)(=O)C[C@H]1C1CCC1 ZINC001362573568 981708994 /nfs/dbraw/zinc/70/89/94/981708994.db2.gz WYABUMADVVTFET-JTQLQIEISA-N -1 0 313.383 -0.442 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCc2cnccn2)c1 ZINC001362577396 981717440 /nfs/dbraw/zinc/71/74/40/981717440.db2.gz QRBOFFZYOKCDFZ-UHFFFAOYSA-N -1 0 322.346 -0.198 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001362586126 981730640 /nfs/dbraw/zinc/73/06/40/981730640.db2.gz FWNBGUIIYLDPBU-SECBINFHSA-N -1 0 309.326 -0.697 20 0 DBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCN1CC(F)(F)F ZINC001362598023 981740996 /nfs/dbraw/zinc/74/09/96/981740996.db2.gz AFQWCAGCDRHTJA-ZCFIWIBFSA-N -1 0 321.259 -0.009 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CC(O)(C2CC2)C1 ZINC001362602934 981746005 /nfs/dbraw/zinc/74/60/05/981746005.db2.gz IYTMFHMIGWSOLV-UHFFFAOYSA-N -1 0 316.317 -0.137 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001362605722 981747145 /nfs/dbraw/zinc/74/71/45/981747145.db2.gz NGFOPLVLFCLPEA-PHDIDXHHSA-N -1 0 322.243 -0.364 20 0 DBADRM C[C@H](CN(C)C(=O)CN1CCCCS1(=O)=O)c1nnn[n-]1 ZINC001362615974 981760418 /nfs/dbraw/zinc/76/04/18/981760418.db2.gz GCMXDXWGERMVFI-SECBINFHSA-N -1 0 316.387 -0.813 20 0 DBADRM O=C(N[C@]1(CO)CCOC1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362631672 981778045 /nfs/dbraw/zinc/77/80/45/981778045.db2.gz YMHUZBHCWXKMDI-AWEZNQCLSA-N -1 0 320.305 -0.853 20 0 DBADRM Cn1cc([C@H]2C[S@](=O)CCN2C(=O)c2c[n-]ncc2=O)cn1 ZINC001362644116 981790084 /nfs/dbraw/zinc/79/00/84/981790084.db2.gz KAXWYIFVQHGKQX-RKFFSXRUSA-N -1 0 321.362 -0.139 20 0 DBADRM CC(C)n1ccnc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001362645542 981790140 /nfs/dbraw/zinc/79/01/40/981790140.db2.gz NLUFLCWZNLWMQN-UHFFFAOYSA-N -1 0 302.356 -0.340 20 0 DBADRM CNc1nc(C)ccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001362644431 981790956 /nfs/dbraw/zinc/79/09/56/981790956.db2.gz MDWKWYQGUHWGSQ-UHFFFAOYSA-N -1 0 314.367 -0.373 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362665745 981807193 /nfs/dbraw/zinc/80/71/93/981807193.db2.gz MDQGVTRYOTWZBS-VIFPVBQESA-N -1 0 311.342 -0.451 20 0 DBADRM COC[C@@H](CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1)OC ZINC001362666199 981807724 /nfs/dbraw/zinc/80/77/24/981807724.db2.gz ODQLMWCTURIWTF-GFCCVEGCSA-N -1 0 320.353 -0.144 20 0 DBADRM O=C(CN1CCCNC1=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362665901 981808778 /nfs/dbraw/zinc/80/87/78/981808778.db2.gz DSJNHELNQQNKQV-MRVPVSSYSA-N -1 0 311.371 -0.769 20 0 DBADRM CO[C@@H]1CN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C[C@H]1O ZINC001362672738 981811738 /nfs/dbraw/zinc/81/17/38/981811738.db2.gz CSWYQJRJKZZCFQ-VXGBXAGGSA-N -1 0 314.363 -0.110 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001362675889 981812624 /nfs/dbraw/zinc/81/26/24/981812624.db2.gz DYPRGHAIQBDIRW-MRVPVSSYSA-N -1 0 310.335 -0.718 20 0 DBADRM O=C(CCCn1cncn1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362681712 981814734 /nfs/dbraw/zinc/81/47/34/981814734.db2.gz BQUQQZDFDSBCKQ-SECBINFHSA-N -1 0 308.371 -0.112 20 0 DBADRM O=C(CC1(O)CCOCC1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362682639 981816677 /nfs/dbraw/zinc/81/66/77/981816677.db2.gz HAMJQAXXKRISNG-SECBINFHSA-N -1 0 313.383 -0.252 20 0 DBADRM O=C([C@H]1CCC2N=NC(=O)N2C1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362685989 981818239 /nfs/dbraw/zinc/81/82/39/981818239.db2.gz JAHUTOWDDFHEFN-IUCAKERBSA-N -1 0 318.341 -0.535 20 0 DBADRM Cn1nccc1[C@@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC001362691812 981821790 /nfs/dbraw/zinc/82/17/90/981821790.db2.gz FTMOJEYIEIGXSB-CBAPKCEASA-N -1 0 320.309 -0.334 20 0 DBADRM CN(C)[C@@H](C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)c1cncn1C ZINC001362690663 981821914 /nfs/dbraw/zinc/82/19/14/981821914.db2.gz VINKXKZTKSKVNH-ZYHUDNBSSA-N -1 0 318.385 -0.058 20 0 DBADRM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362698444 981827279 /nfs/dbraw/zinc/82/72/79/981827279.db2.gz GPEPIGADTZSVTB-BDAKNGLRSA-N -1 0 312.326 -0.073 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1c[n-]ncc1=O ZINC001362704966 981831910 /nfs/dbraw/zinc/83/19/10/981831910.db2.gz JPSCZRZGQAUGNK-WPRPVWTQSA-N -1 0 314.367 -0.370 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2s[n-]c(=O)c2Cl)C[C@@H]1C(N)=O ZINC001362714909 981840655 /nfs/dbraw/zinc/84/06/55/981840655.db2.gz ZXVSEKLYNKQMJI-IMJSIDKUSA-N -1 0 318.742 -0.839 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CC[C@@H](C(=O)Nc2cn[nH]c2)C1 ZINC001362714911 981840988 /nfs/dbraw/zinc/84/09/88/981840988.db2.gz FGNBYCYYFHRCKM-SECBINFHSA-N -1 0 318.341 -0.267 20 0 DBADRM C[C@@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CC(=O)N1C ZINC001362717113 981841811 /nfs/dbraw/zinc/84/18/11/981841811.db2.gz MDBCAFKDOQBOIV-SECBINFHSA-N -1 0 315.337 -0.622 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H](CO)c2cncn2C)cc1=O ZINC001362721385 981846507 /nfs/dbraw/zinc/84/65/07/981846507.db2.gz VFXDSTCQEXPHET-LBPRGKRZSA-N -1 0 321.381 -0.042 20 0 DBADRM CCOc1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)on1 ZINC001362728749 981853184 /nfs/dbraw/zinc/85/31/84/981853184.db2.gz GONXAQXRLISQLZ-UHFFFAOYSA-N -1 0 308.298 -0.290 20 0 DBADRM CO[C@@H]1COCC[C@H]1CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362745934 981862482 /nfs/dbraw/zinc/86/24/82/981862482.db2.gz YIWGAQRDAFNJAU-VHSXEESVSA-N -1 0 314.342 -0.363 20 0 DBADRM COC(=O)C(C)(C)n1cc(NC(=O)CCc2nnn[n-]2)cn1 ZINC001362755958 981868467 /nfs/dbraw/zinc/86/84/67/981868467.db2.gz IQYCTGZMZWFRDZ-UHFFFAOYSA-N -1 0 307.314 -0.124 20 0 DBADRM CSc1nccnc1C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001362757197 981868854 /nfs/dbraw/zinc/86/88/54/981868854.db2.gz CCNJHYPRESKLOC-SSDOTTSWSA-N -1 0 307.339 -0.075 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)o1 ZINC001362758457 981870514 /nfs/dbraw/zinc/87/05/14/981870514.db2.gz GFWULCGLFLBVTN-ZETCQYMHSA-N -1 0 307.266 -0.207 20 0 DBADRM O=C([C@@H]1CCc2n[nH]cc2C1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001362761701 981871362 /nfs/dbraw/zinc/87/13/62/981871362.db2.gz OZLPPDQMWFZREF-KCJUWKMLSA-N -1 0 303.326 -0.372 20 0 DBADRM O=C([C@H]1CCc2n[nH]cc2C1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001362761697 981872462 /nfs/dbraw/zinc/87/24/62/981872462.db2.gz OZLPPDQMWFZREF-GZMMTYOYSA-N -1 0 303.326 -0.372 20 0 DBADRM CC(C)n1cc(CNC(=O)c2cc(=O)n(C)[n-]2)c(=O)[nH]c1=O ZINC001362804263 981899293 /nfs/dbraw/zinc/89/92/93/981899293.db2.gz DEPOUXIOODDGLO-UHFFFAOYSA-N -1 0 307.310 -0.101 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC001362821397 981918162 /nfs/dbraw/zinc/91/81/62/981918162.db2.gz YUGMQYIAMQTYSI-IONNQARKSA-N -1 0 322.321 -0.363 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)c1[O-] ZINC001362831554 981924416 /nfs/dbraw/zinc/92/44/16/981924416.db2.gz LPEZNSFIYLMYDM-DTWKUNHWSA-N -1 0 315.351 -0.548 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc(OCC(N)=O)cc1 ZINC001362842499 981934441 /nfs/dbraw/zinc/93/44/41/981934441.db2.gz XEIUWXRAYDIOFC-UHFFFAOYSA-N -1 0 306.278 -0.501 20 0 DBADRM Cc1cc(C(=O)N2C[C@H](O)[C@@H](CO)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001362844439 981935570 /nfs/dbraw/zinc/93/55/70/981935570.db2.gz ZJBKHUYJFKPGDN-APPZFPTMSA-N -1 0 320.305 -0.830 20 0 DBADRM CCC(CC)(NC(=O)CN(C)S(=O)(=O)CC)c1nnn[n-]1 ZINC001362851599 981945959 /nfs/dbraw/zinc/94/59/59/981945959.db2.gz CLEOKDZTDXJQSW-UHFFFAOYSA-N -1 0 318.403 -0.387 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCN2CCOC[C@@H]2C1 ZINC001362858065 981950472 /nfs/dbraw/zinc/95/04/72/981950472.db2.gz KIDKMEXDOYOXIS-JTQLQIEISA-N -1 0 311.342 -0.988 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1)[C@@H](C)O ZINC001362891795 981976517 /nfs/dbraw/zinc/97/65/17/981976517.db2.gz FMBLHEBDFSZGKO-XCBNKYQSSA-N -1 0 321.289 -0.318 20 0 DBADRM Cc1[nH]nc(Cl)c1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001362896552 981978950 /nfs/dbraw/zinc/97/89/50/981978950.db2.gz CZOMEDRFGXFCTH-UHFFFAOYSA-N -1 0 308.747 -0.433 20 0 DBADRM COC[C@H](NC(=O)[C@H](C)NC(=O)C1CCCC1)c1nnn[n-]1 ZINC001362904341 981985748 /nfs/dbraw/zinc/98/57/48/981985748.db2.gz AVCJUXMGPYOAPI-WPRPVWTQSA-N -1 0 310.358 -0.302 20 0 DBADRM COC[C@@H](NC(=O)[C@H](C)NC(=O)C1CCCC1)c1nnn[n-]1 ZINC001362904340 981987131 /nfs/dbraw/zinc/98/71/31/981987131.db2.gz AVCJUXMGPYOAPI-WCBMZHEXSA-N -1 0 310.358 -0.302 20 0 DBADRM CC1(C)CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@@H](CO)O1 ZINC001362911040 981993004 /nfs/dbraw/zinc/99/30/04/981993004.db2.gz YYSDPXMHJPPREQ-VIFPVBQESA-N -1 0 314.342 -0.532 20 0 DBADRM COC[C@H](NC(=O)CCc1ccccc1C(N)=O)c1nnn[n-]1 ZINC001362909979 981993755 /nfs/dbraw/zinc/99/37/55/981993755.db2.gz OYPVFLXAZLYIAL-NSHDSACASA-N -1 0 318.337 -0.265 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)[C@H]1CO ZINC001362920906 982002533 /nfs/dbraw/zinc/00/25/33/982002533.db2.gz HGGDHXYUBBQSLA-SKDRFNHKSA-N -1 0 302.338 -0.082 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001362932197 982010066 /nfs/dbraw/zinc/01/00/66/982010066.db2.gz GQCQAKGSGHRTQA-MAUMQABQSA-N -1 0 312.288 -0.310 20 0 DBADRM C[C@H](O)CN(CC(F)F)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001362944644 982019451 /nfs/dbraw/zinc/01/94/51/982019451.db2.gz PKHGTNYIQZCFCD-ZETCQYMHSA-N -1 0 315.280 -0.454 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1CCCN1c1ncccn1 ZINC001362947928 982020173 /nfs/dbraw/zinc/02/01/73/982020173.db2.gz IYRDBDVCUJGZKK-SECBINFHSA-N -1 0 304.310 -0.220 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc(CNC(N)=O)cc1 ZINC001362949949 982022428 /nfs/dbraw/zinc/02/24/28/982022428.db2.gz XTMPWBSRUNZYRK-UHFFFAOYSA-N -1 0 305.294 -0.197 20 0 DBADRM Cn1cc(Br)c(CNC(=O)CCc2nnn[n-]2)n1 ZINC001362983366 982045923 /nfs/dbraw/zinc/04/59/23/982045923.db2.gz NOSTZEIYYAQCIL-UHFFFAOYSA-N -1 0 314.147 -0.055 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC[C@@H]3CO)cc2=O)n1 ZINC001362985176 982046278 /nfs/dbraw/zinc/04/62/78/982046278.db2.gz WOCSGLVQICYBRA-SNVBAGLBSA-N -1 0 303.322 -0.221 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362986754 982047943 /nfs/dbraw/zinc/04/79/43/982047943.db2.gz NMVAYUBQWZCRNC-JTQLQIEISA-N -1 0 302.294 -0.538 20 0 DBADRM C[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)[C@@H](O)C(F)(F)F ZINC001362998632 982055256 /nfs/dbraw/zinc/05/52/56/982055256.db2.gz ANRLSKJLITZKFN-IYSWYEEDSA-N -1 0 312.248 -0.103 20 0 DBADRM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)CCc2nnn[n-]2)C1 ZINC001363013952 982071234 /nfs/dbraw/zinc/07/12/34/982071234.db2.gz UWMWSAPSCAIDTN-JTQLQIEISA-N -1 0 320.275 -0.341 20 0 DBADRM O=C([C@H]1CCn2ccnc2C1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363027720 982083026 /nfs/dbraw/zinc/08/30/26/982083026.db2.gz KIALWCLKOUEOFD-JTQLQIEISA-N -1 0 317.353 -0.531 20 0 DBADRM O=C(c1cc(C(F)F)n[nH]1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363027571 982083521 /nfs/dbraw/zinc/08/35/21/982083521.db2.gz IZDWLFFDZVNORU-UHFFFAOYSA-N -1 0 313.268 -0.016 20 0 DBADRM O=C([C@@H]1CCn2ccnc2C1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001363027723 982083558 /nfs/dbraw/zinc/08/35/58/982083558.db2.gz KIALWCLKOUEOFD-SNVBAGLBSA-N -1 0 317.353 -0.531 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001363028303 982084466 /nfs/dbraw/zinc/08/44/66/982084466.db2.gz LQKRDHUVDOKKDO-XVKPBYJWSA-N -1 0 301.310 -0.484 20 0 DBADRM CC(C)OC(=O)[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001363029961 982086913 /nfs/dbraw/zinc/08/69/13/982086913.db2.gz SNMKSXHKBRXCPQ-VIFPVBQESA-N -1 0 300.315 -0.218 20 0 DBADRM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@@H]1CCCCS1(=O)=O ZINC001363035203 982088735 /nfs/dbraw/zinc/08/87/35/982088735.db2.gz AEXJFIMLPAHAAL-ZETCQYMHSA-N -1 0 301.324 -0.529 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]([C@H]1CCOC1)C(F)(F)F ZINC001363040832 982092475 /nfs/dbraw/zinc/09/24/75/982092475.db2.gz KOOSSTVOMXXURV-CAHLUQPWSA-N -1 0 310.232 -0.227 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccnn1[C@H]1CCCOC1 ZINC001363042831 982093527 /nfs/dbraw/zinc/09/35/27/982093527.db2.gz WDTFVPVNQHOZEW-QMMMGPOBSA-N -1 0 308.298 -0.124 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@@H]1C1OCCO1 ZINC001363043421 982093866 /nfs/dbraw/zinc/09/38/66/982093866.db2.gz ZQRJFPJDPWZASS-SECBINFHSA-N -1 0 312.326 -0.167 20 0 DBADRM CCOC(=O)N1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](CO)C1 ZINC001363044812 982097208 /nfs/dbraw/zinc/09/72/08/982097208.db2.gz SWTUISMTJLQSEI-BDAKNGLRSA-N -1 0 312.326 -0.397 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H](CO)C(F)(F)F ZINC001363052710 982102650 /nfs/dbraw/zinc/10/26/50/982102650.db2.gz CKRDERLESQCURS-LURJTMIESA-N -1 0 305.216 -0.889 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCC[C@H]1c1ncon1 ZINC001363056097 982105449 /nfs/dbraw/zinc/10/54/49/982105449.db2.gz HRBAGLNGOJTOKH-VIFPVBQESA-N -1 0 315.293 -0.182 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)O1 ZINC001363056161 982106175 /nfs/dbraw/zinc/10/61/75/982106175.db2.gz QCLJHEBDZCQJGQ-XHNCKOQMSA-N -1 0 309.326 -0.751 20 0 DBADRM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)[C@@H]1CSCC(=O)N1 ZINC001363059518 982107735 /nfs/dbraw/zinc/10/77/35/982107735.db2.gz MHCBEYYQHUCCKO-GXSJLCMTSA-N -1 0 318.362 -0.363 20 0 DBADRM COC[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)[C@H]1CCCO1 ZINC001363087630 982125923 /nfs/dbraw/zinc/12/59/23/982125923.db2.gz AVTPPGNKKPMELN-VHSXEESVSA-N -1 0 314.342 -0.220 20 0 DBADRM O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1c[n-]ncc1=O ZINC001363090118 982128265 /nfs/dbraw/zinc/12/82/65/982128265.db2.gz DOLXYQAVRAHXLI-LLVKDONJSA-N -1 0 306.322 -0.308 20 0 DBADRM COC(=O)N(C)CC(=O)N[C@@H](CCSC)c1nnn[n-]1 ZINC001363101420 982139910 /nfs/dbraw/zinc/13/99/10/982139910.db2.gz ZALKPJGDQPMJHI-ZETCQYMHSA-N -1 0 302.360 -0.192 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)c2c[n-]ncc2=O)CC1 ZINC001363108563 982144712 /nfs/dbraw/zinc/14/47/12/982144712.db2.gz NVODDFORNOWSBG-UHFFFAOYSA-N -1 0 300.340 -0.664 20 0 DBADRM C[C@H](Cc1cnn(C)c1)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001363111120 982145182 /nfs/dbraw/zinc/14/51/82/982145182.db2.gz PJHOSNFCEVDTKA-SSDOTTSWSA-N -1 0 312.355 -0.241 20 0 DBADRM CCOC(=O)C(CC)(CC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363113892 982147599 /nfs/dbraw/zinc/14/75/99/982147599.db2.gz XDSHGXZMFDJTOT-UHFFFAOYSA-N -1 0 300.315 -0.073 20 0 DBADRM C[C@@H](c1ccccc1)[C@@H](O)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363127830 982156547 /nfs/dbraw/zinc/15/65/47/982156547.db2.gz ZETFMIYXWGRWMG-ONGXEEELSA-N -1 0 306.322 -0.030 20 0 DBADRM O=C(CCN1CSCCSC1)Nn1c(=O)[n-][nH]c1=O ZINC001363136769 982160434 /nfs/dbraw/zinc/16/04/34/982160434.db2.gz IXTCQZNEMGUXAZ-UHFFFAOYSA-N -1 0 305.385 -0.154 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC001363135274 982161651 /nfs/dbraw/zinc/16/16/51/982161651.db2.gz DQOTYWNVDHWWQK-ZDUSSCGKSA-N -1 0 303.278 -0.783 20 0 DBADRM C[C@@H](C(=O)NCc1nc([O-])cc(=O)[nH]1)[C@H](C)S(C)(=O)=O ZINC001363150103 982180036 /nfs/dbraw/zinc/18/00/36/982180036.db2.gz LXTKSCAZPQXADC-RQJHMYQMSA-N -1 0 303.340 -0.427 20 0 DBADRM C[C@H](O)[C@H](O)CNC(=O)c1nc[n-]c(=O)c1Br ZINC001363164470 982190146 /nfs/dbraw/zinc/19/01/46/982190146.db2.gz BECXOCYVAKJQDQ-CRCLSJGQSA-N -1 0 306.116 -0.584 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)OCc1ccccc1 ZINC001363168636 982192936 /nfs/dbraw/zinc/19/29/36/982192936.db2.gz PYFFSJXXORQBLG-SECBINFHSA-N -1 0 320.305 -0.063 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC001363184965 982206508 /nfs/dbraw/zinc/20/65/08/982206508.db2.gz RPWTWUPRPJXONT-UWVGGRQHSA-N -1 0 323.353 -0.261 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363202683 982219233 /nfs/dbraw/zinc/21/92/33/982219233.db2.gz DWMGQPIBQVOUHZ-DTWKUNHWSA-N -1 0 320.309 -0.489 20 0 DBADRM CC(C)CCC(=O)NCC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363203991 982222379 /nfs/dbraw/zinc/22/23/79/982222379.db2.gz MKFLGEQMEKUCFI-SNVBAGLBSA-N -1 0 310.358 -0.348 20 0 DBADRM O=C(CNC(=O)c1ncccc1O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363215291 982231218 /nfs/dbraw/zinc/23/12/18/982231218.db2.gz CTUVTTMAKMGRQZ-MRVPVSSYSA-N -1 0 317.309 -0.954 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363216895 982233908 /nfs/dbraw/zinc/23/39/08/982233908.db2.gz JBADYURTOMRRPL-DTWKUNHWSA-N -1 0 304.310 -0.073 20 0 DBADRM CN1CCc2cc(NC(=O)Cn3c(=O)[n-][nH]c3=O)ccc2C1=O ZINC001363221049 982234909 /nfs/dbraw/zinc/23/49/09/982234909.db2.gz YLPOKHVPKCPECF-UHFFFAOYSA-N -1 0 317.305 -0.044 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCc2nc(C(N)=O)co2)cc1=O ZINC001363231742 982241979 /nfs/dbraw/zinc/24/19/79/982241979.db2.gz SLHBXXGCXXBQPT-UHFFFAOYSA-N -1 0 321.337 -0.222 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@H](O)C(=O)OCc2ccccc2)cc1=O ZINC001363242690 982256380 /nfs/dbraw/zinc/25/63/80/982256380.db2.gz ILARSWBCYSCMTG-LBPRGKRZSA-N -1 0 319.317 -0.040 20 0 DBADRM CN1C(=O)c2ccccc2[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363248599 982261741 /nfs/dbraw/zinc/26/17/41/982261741.db2.gz DYCCNCZALNOROB-SNVBAGLBSA-N -1 0 317.305 -0.368 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN(C)C[C@H]1COCCO1)C(=O)[O-] ZINC001594887594 982273133 /nfs/dbraw/zinc/27/31/33/982273133.db2.gz RKTRAXPGSNEBNJ-GMXVVIOVSA-N -1 0 302.371 -0.051 20 0 DBADRM COC(=O)C1=NO[C@]2(CCN(C(=O)CCCc3nnn[n-]3)C2)C1 ZINC001363264411 982284700 /nfs/dbraw/zinc/28/47/00/982284700.db2.gz CTTZHUYWGPFNEX-CYBMUJFWSA-N -1 0 322.325 -0.557 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCOC[C@H]1CC(N)=O)C(=O)[O-] ZINC001594892383 982295509 /nfs/dbraw/zinc/29/55/09/982295509.db2.gz AWVVFAPJPLPWFG-OPQQBVKSSA-N -1 0 315.370 -0.822 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001363275195 982296694 /nfs/dbraw/zinc/29/66/94/982296694.db2.gz DGSFYQBVKNKOKK-VIFPVBQESA-N -1 0 320.357 -0.256 20 0 DBADRM CSCC[C@H](NC(=O)C1(S(C)(=O)=O)CC1)c1nnn[n-]1 ZINC001363278662 982298269 /nfs/dbraw/zinc/29/82/69/982298269.db2.gz FCCXPZZGNJMMPC-ZETCQYMHSA-N -1 0 319.412 -0.313 20 0 DBADRM CSCC[C@H](NC(=O)c1cnn(CCO)c1)c1nnn[n-]1 ZINC001363278554 982298974 /nfs/dbraw/zinc/29/89/74/982298974.db2.gz CNOKEJCCSUTDEU-VIFPVBQESA-N -1 0 311.371 -0.387 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)C(C)(C)NS(C)(=O)=O ZINC001363277915 982299954 /nfs/dbraw/zinc/29/99/54/982299954.db2.gz VSPCUHVHIFEASQ-UHFFFAOYSA-N -1 0 318.403 -0.488 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1C[C@@H](CO)[C@H](CO)C1)C(=O)[O-] ZINC001594893040 982300125 /nfs/dbraw/zinc/30/01/25/982300125.db2.gz GFNUQEYPJYASPL-MPPDQPJWSA-N -1 0 302.371 -0.866 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001363286278 982307749 /nfs/dbraw/zinc/30/77/49/982307749.db2.gz NOAWYUAYBUFSPN-XHDPSFHLSA-N -1 0 319.317 -0.012 20 0 DBADRM C[C@@]1(CO)C[C@@H](O)CN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001363286267 982309130 /nfs/dbraw/zinc/30/91/30/982309130.db2.gz NOAWYUAYBUFSPN-ABAIWWIYSA-N -1 0 319.317 -0.012 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](O)C[C@H]1C(=O)[O-])C(=O)OC ZINC001594893724 982310980 /nfs/dbraw/zinc/31/09/80/982310980.db2.gz XBBNYPFDWLKQIH-GMOBBJLQSA-N -1 0 316.354 -0.790 20 0 DBADRM O=C(NC[C@H]1CCN(CC(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC001363307806 982330490 /nfs/dbraw/zinc/33/04/90/982330490.db2.gz AIXKFHMSMGGBON-ZCFIWIBFSA-N -1 0 303.269 -0.400 20 0 DBADRM CCOC(=O)c1cc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)on1 ZINC001363312300 982333139 /nfs/dbraw/zinc/33/31/39/982333139.db2.gz NJIKYEXMQSIDIO-ZETCQYMHSA-N -1 0 306.282 -0.006 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H](CO)[C@H]1CCCOC1 ZINC001363329619 982346214 /nfs/dbraw/zinc/34/62/14/982346214.db2.gz QUSNCYQRCNPFIK-YUMQZZPRSA-N -1 0 302.356 -0.494 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H](CO)[C@H]1CCCOC1 ZINC001363329596 982347102 /nfs/dbraw/zinc/34/71/02/982347102.db2.gz QUSNCYQRCNPFIK-JGVFFNPUSA-N -1 0 302.356 -0.494 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2c[n-]ncc2=O)[C@@H](O)C1 ZINC001363331494 982347298 /nfs/dbraw/zinc/34/72/98/982347298.db2.gz UHLMKWHRSUMIAL-KOLCDFICSA-N -1 0 324.337 -0.108 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001363373049 982367727 /nfs/dbraw/zinc/36/77/27/982367727.db2.gz APSSFLRRZXPOTI-QMMMGPOBSA-N -1 0 303.278 -0.188 20 0 DBADRM CS(=O)(=O)C1CCC(C(=O)Nn2c(=O)[n-][nH]c2=O)CC1 ZINC001363375938 982368917 /nfs/dbraw/zinc/36/89/17/982368917.db2.gz GCNHJMOPWNOAPR-UHFFFAOYSA-N -1 0 304.328 -0.637 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCCN(CC(F)(F)F)C1 ZINC001363379596 982375106 /nfs/dbraw/zinc/37/51/06/982375106.db2.gz NMEYKRSIDRSBLL-ZETCQYMHSA-N -1 0 323.275 -0.168 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1Cc2nc(C3CC3)[nH]c(=O)c2C1 ZINC001363381054 982375545 /nfs/dbraw/zinc/37/55/45/982375545.db2.gz VEYRCJJBNXFORT-UHFFFAOYSA-N -1 0 318.293 -0.395 20 0 DBADRM O=C([C@H]1CCc2nncn2C1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001363402150 982391695 /nfs/dbraw/zinc/39/16/95/982391695.db2.gz VDJWCMXLVSXFCO-MNOVXSKESA-N -1 0 316.369 -0.165 20 0 DBADRM CC1(C)CC(=O)NCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363403897 982392424 /nfs/dbraw/zinc/39/24/24/982392424.db2.gz FJFRWHVRZIXOHA-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM O=C([C@H]1CCCC12OCCO2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363409259 982396612 /nfs/dbraw/zinc/39/66/12/982396612.db2.gz BUTGSWFSTJALFE-ZJUUUORDSA-N -1 0 309.326 -0.357 20 0 DBADRM O=C(c1noc2c1COCC2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363408671 982397117 /nfs/dbraw/zinc/39/71/17/982397117.db2.gz OHJAALXDUNBSKS-MRVPVSSYSA-N -1 0 306.282 -0.526 20 0 DBADRM O=C(CCCn1ccccc1=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363411871 982398436 /nfs/dbraw/zinc/39/84/36/982398436.db2.gz QXMAVUBTQIPVCI-NSHDSACASA-N -1 0 318.337 -0.258 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CCCc2nn(C)cc21)c1nnn[n-]1 ZINC001363414113 982400181 /nfs/dbraw/zinc/40/01/81/982400181.db2.gz KQCAECQPFMYTLA-KCJUWKMLSA-N -1 0 305.342 -0.143 20 0 DBADRM COC[C@H](NC(=O)CCn1c(C)cc(O)cc1=O)c1nnn[n-]1 ZINC001363431582 982408585 /nfs/dbraw/zinc/40/85/85/982408585.db2.gz IEMNDSXJGHUSOR-JTQLQIEISA-N -1 0 322.325 -0.731 20 0 DBADRM COC[C@H](NC(=O)COc1c(C)nn(C)c1C)c1nnn[n-]1 ZINC001363435265 982411019 /nfs/dbraw/zinc/41/10/19/982411019.db2.gz MPZCBYBNJLMCKR-VIFPVBQESA-N -1 0 309.330 -0.567 20 0 DBADRM COC[C@H](NC(=O)Cc1nc(C2CC2)nn1C)c1nnn[n-]1 ZINC001363439251 982412997 /nfs/dbraw/zinc/41/29/97/982412997.db2.gz WGJSTUIRJZXJDE-QMMMGPOBSA-N -1 0 306.330 -0.748 20 0 DBADRM O=C(c1ncc(Br)cc1[O-])N1CC(CO)(CO)C1 ZINC001363448626 982421943 /nfs/dbraw/zinc/42/19/43/982421943.db2.gz RQHPXGARPGBWNO-UHFFFAOYSA-N -1 0 317.139 -0.024 20 0 DBADRM O=C(N[C@H]1CCc2ccccc2NC1=O)c1n[nH]c(=O)[n-]c1=O ZINC001363464402 982434553 /nfs/dbraw/zinc/43/45/53/982434553.db2.gz ANRWCSGMPGIXRO-VIFPVBQESA-N -1 0 315.289 -0.034 20 0 DBADRM Cn1nccc1[C@@H]1COCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363466411 982434673 /nfs/dbraw/zinc/43/46/73/982434673.db2.gz NGOJPRDYAHPQRI-VIFPVBQESA-N -1 0 308.298 -0.977 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)Cn1cncn1 ZINC001531148848 1014840416 /nfs/dbraw/zinc/84/04/16/1014840416.db2.gz UYFOZJAMDGMXOF-SECBINFHSA-N -1 0 321.341 -0.660 20 0 DBADRM COC(=O)c1ccnc(C(=O)NCc2nc([O-])cc(=O)[nH]2)c1 ZINC001363484951 982447464 /nfs/dbraw/zinc/44/74/64/982447464.db2.gz KQLYQMCHRALDAT-UHFFFAOYSA-N -1 0 304.262 -0.001 20 0 DBADRM CNC(=O)c1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)c(OC)c1 ZINC001363493699 982455743 /nfs/dbraw/zinc/45/57/43/982455743.db2.gz WNXPXYBIFCFCSR-UHFFFAOYSA-N -1 0 321.293 -0.304 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCC[C@H]2CS(N)(=O)=O)c1[O-] ZINC001363498084 982460117 /nfs/dbraw/zinc/46/01/17/982460117.db2.gz BMOVVUBZUUBIQH-QMMMGPOBSA-N -1 0 302.356 -0.293 20 0 DBADRM CC(C)(C)N1C[C@H](C(=O)N2CCOC[C@H]2c2nnn[n-]2)CC1=O ZINC001363509822 982473777 /nfs/dbraw/zinc/47/37/77/982473777.db2.gz CINSKYHUGUIJGK-ZJUUUORDSA-N -1 0 322.369 -0.253 20 0 DBADRM C[C@@H](O)c1ncc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)s1 ZINC001363511940 982474550 /nfs/dbraw/zinc/47/45/50/982474550.db2.gz KEQITBMBOVJRRS-RNFRBKRXSA-N -1 0 310.339 -0.077 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)CCS1(=O)=O ZINC001363511217 982475609 /nfs/dbraw/zinc/47/56/09/982475609.db2.gz BEGVYHAPLGDWIR-MRVPVSSYSA-N -1 0 310.335 -0.718 20 0 DBADRM O=C(c1cc2n(n1)CCCC2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363514750 982478413 /nfs/dbraw/zinc/47/84/13/982478413.db2.gz UMHMEWDCFHVEMK-NSHDSACASA-N -1 0 303.326 -0.054 20 0 DBADRM Cc1cc(=O)[nH]c(N2CCN(C(=O)c3cc(=O)n(C)[n-]3)CC2)n1 ZINC001363515356 982479410 /nfs/dbraw/zinc/47/94/10/982479410.db2.gz SYRNAWCDWWRTPI-UHFFFAOYSA-N -1 0 318.337 -0.108 20 0 DBADRM C[C@@H]1C[C@]2(CC[C@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)O2)CO1 ZINC001363538201 982495171 /nfs/dbraw/zinc/49/51/71/982495171.db2.gz ZJNHCETUTBGNFU-OTPXZMOZSA-N -1 0 310.310 -0.261 20 0 DBADRM COc1cc(OC)nc(C(=O)NC2(c3nnn[n-]3)CCC2)n1 ZINC001363545308 982500133 /nfs/dbraw/zinc/50/01/33/982500133.db2.gz AEFAWXLNZDWYAR-UHFFFAOYSA-N -1 0 305.298 -0.184 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2C[C@H](O)C2)c1 ZINC001363547585 982501778 /nfs/dbraw/zinc/50/17/78/982501778.db2.gz DMUKCDQFWLALHR-ZKCHVHJHSA-N -1 0 300.336 -0.460 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001363569737 982514823 /nfs/dbraw/zinc/51/48/23/982514823.db2.gz HZMUIACXZYRXHA-ZETCQYMHSA-N -1 0 306.282 -0.903 20 0 DBADRM Cc1oc(C(=O)N(C)Cc2nc(=O)o[n-]2)cc1S(C)(=O)=O ZINC001363571137 982516809 /nfs/dbraw/zinc/51/68/09/982516809.db2.gz NOSXPDTYIKFFAS-UHFFFAOYSA-N -1 0 315.307 -0.060 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001363580895 982519778 /nfs/dbraw/zinc/51/97/78/982519778.db2.gz HALPEHVQYYGLRA-UWVGGRQHSA-N -1 0 311.342 -0.705 20 0 DBADRM O=C(C1=CCS(=O)(=O)C1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001363586293 982525046 /nfs/dbraw/zinc/52/50/46/982525046.db2.gz UCMDEQPNLVZLKX-VIFPVBQESA-N -1 0 311.367 -0.664 20 0 DBADRM COC[C@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)c1nnn[n-]1 ZINC001363589857 982525851 /nfs/dbraw/zinc/52/58/51/982525851.db2.gz QIGIBVSQNHZDEV-QMMMGPOBSA-N -1 0 305.298 -0.310 20 0 DBADRM COC[C@@H]1COCCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001363594290 982529658 /nfs/dbraw/zinc/52/96/58/982529658.db2.gz HJRDAWWITMRJCM-GFCCVEGCSA-N -1 0 318.337 -0.438 20 0 DBADRM COC(=O)N1CC(C)(NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001363605161 982535516 /nfs/dbraw/zinc/53/55/16/982535516.db2.gz OBQCLOBOXQTWFW-UHFFFAOYSA-N -1 0 312.282 -0.533 20 0 DBADRM COC(=O)[C@](C)(Cn1cccn1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001363657222 982555865 /nfs/dbraw/zinc/55/58/65/982555865.db2.gz IJYLBEJUORMWQR-ZDUSSCGKSA-N -1 0 307.310 -0.018 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H](CO)c1cc(F)ccc1F ZINC001363690905 982574808 /nfs/dbraw/zinc/57/48/08/982574808.db2.gz ZHWATNYPRUPERP-VIFPVBQESA-N -1 0 314.248 -0.183 20 0 DBADRM COC(=O)NC1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001363712088 982583651 /nfs/dbraw/zinc/58/36/51/982583651.db2.gz RILULLYKHLEEOZ-UHFFFAOYSA-N -1 0 317.309 -0.745 20 0 DBADRM Cc1occc(=O)c1OCC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001363726070 982589149 /nfs/dbraw/zinc/58/91/49/982589149.db2.gz UBHNLVWYSGBGRK-SECBINFHSA-N -1 0 305.294 -0.144 20 0 DBADRM COc1cnc([C@@H]2CCCN2C(=O)c2n[nH]c(=O)[n-]2)[nH]c1=O ZINC001363731594 982595291 /nfs/dbraw/zinc/59/52/91/982595291.db2.gz DZRBMCZJNAHEKQ-LURJTMIESA-N -1 0 306.282 -0.008 20 0 DBADRM CC(=O)NCCCCCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001489979948 1014862449 /nfs/dbraw/zinc/86/24/49/1014862449.db2.gz YIAQTKXXBJGLNM-UHFFFAOYSA-N -1 0 313.358 -0.156 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CCS(C)(=O)=O ZINC001363753615 982609983 /nfs/dbraw/zinc/60/99/83/982609983.db2.gz RMJAJPPPSQTIDF-UHFFFAOYSA-N -1 0 311.337 -0.611 20 0 DBADRM CO[C@H]1COCC[C@@H]1N(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001363775697 982626667 /nfs/dbraw/zinc/62/66/67/982626667.db2.gz RGSSYOZLVRBEMQ-YUMQZZPRSA-N -1 0 302.356 -0.135 20 0 DBADRM CC(=O)NC[C@H]1CCCCN1Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001363812938 982653091 /nfs/dbraw/zinc/65/30/91/982653091.db2.gz UURQVWUKBHEKGN-LLVKDONJSA-N -1 0 319.369 -0.510 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)[N-][C@]2(C(=O)OC)CCOC2)C1 ZINC001363820687 982656690 /nfs/dbraw/zinc/65/66/90/982656690.db2.gz JFTGQWPKXLHXEL-VDDIYKPWSA-N -1 0 321.351 -0.811 20 0 DBADRM CC(C)(CNS(N)(=O)=O)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC001363827332 982662116 /nfs/dbraw/zinc/66/21/16/982662116.db2.gz HZNFSZCFAVZZHY-UHFFFAOYSA-N -1 0 323.321 -0.028 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC3(C2)CC(=O)Nc2nccn23)c1[O-] ZINC001363841619 982669633 /nfs/dbraw/zinc/66/96/33/982669633.db2.gz SHPAIZIMMBOWQG-UHFFFAOYSA-N -1 0 302.294 -0.186 20 0 DBADRM CS(=O)(=O)C1(C[N-]S(=O)(=O)N=S(C)(C)=O)CC1 ZINC001363878056 982687498 /nfs/dbraw/zinc/68/74/98/982687498.db2.gz XANBJSLQEMNEJT-UHFFFAOYSA-N -1 0 304.415 -0.874 20 0 DBADRM CC[C@@H]1CN(S(=O)(=O)c2ncc[n-]2)C[C@@H](C)S1(=O)=O ZINC001363882921 982689313 /nfs/dbraw/zinc/68/93/13/982689313.db2.gz UENBWDAUWQKLMR-RKDXNWHRSA-N -1 0 307.397 -0.004 20 0 DBADRM COC(=O)[C@@](C)(Cn1cccn1)NC(=O)CCc1nnn[n-]1 ZINC001363885778 982694360 /nfs/dbraw/zinc/69/43/60/982694360.db2.gz RZCJVNSUVWGVGB-GFCCVEGCSA-N -1 0 307.314 -0.923 20 0 DBADRM CNC(=O)C[C@H](C)NS(=O)(=O)c1csnc1C(=O)OC ZINC001363916709 982716383 /nfs/dbraw/zinc/71/63/83/982716383.db2.gz DQEBJBQJSWZODO-LURJTMIESA-N -1 0 321.380 -0.267 20 0 DBADRM COCC1(S(=O)(=O)[N-][C@@]2(C(=O)OC)CCOC2)CCC1 ZINC001363955591 982745842 /nfs/dbraw/zinc/74/58/42/982745842.db2.gz QFLNYKRDQPFRNQ-LBPRGKRZSA-N -1 0 307.368 -0.193 20 0 DBADRM CC(=O)N1CCC(CCNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001531807321 1014877122 /nfs/dbraw/zinc/87/71/22/1014877122.db2.gz PUTVQTSNWKVAQH-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM COC[C@@](C)([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)OC ZINC001363982225 982765890 /nfs/dbraw/zinc/76/58/90/982765890.db2.gz ZNYBEQNJCFBBHK-MRVPVSSYSA-N -1 0 302.374 -0.874 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NN1C[C@@H]2CCC[C@@H]2C1 ZINC001363991282 982770507 /nfs/dbraw/zinc/77/05/07/982770507.db2.gz DLZGUUPSJFZMSO-AOOOYVTPSA-N -1 0 302.338 -0.166 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@@H](O)[C@H]1CCCO1 ZINC001363992544 982772277 /nfs/dbraw/zinc/77/22/77/982772277.db2.gz ICKWXLAABUXTOL-RKDXNWHRSA-N -1 0 300.315 -0.874 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CO)C2CCC2)n[nH]1 ZINC001364004845 982779110 /nfs/dbraw/zinc/77/91/10/982779110.db2.gz BQQBTZHIDIUVJH-VIFPVBQESA-N -1 0 303.340 -0.364 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)NC[C@]1(C)CCC(=O)N1 ZINC001364002005 982779297 /nfs/dbraw/zinc/77/92/97/982779297.db2.gz HOIXLDIDTJXPEV-NIVTXAMTSA-N -1 0 312.417 -0.936 20 0 DBADRM COC(=O)CCCS(=O)(=O)NCC(=O)N=S(C)(C)=O ZINC001364002933 982779560 /nfs/dbraw/zinc/77/95/60/982779560.db2.gz QEMOSHSUKKOTAY-UHFFFAOYSA-N -1 0 314.385 -0.887 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@@H](O)[C@H]1CCCO1 ZINC001364008471 982781787 /nfs/dbraw/zinc/78/17/87/982781787.db2.gz INMNTPJVUWREPG-NXEZZACHSA-N -1 0 312.413 -0.378 20 0 DBADRM COC(=O)[C@]1(C)C[C@H](OC)CN1S(=O)(=O)c1ncc[n-]1 ZINC001364022364 982792122 /nfs/dbraw/zinc/79/21/22/982792122.db2.gz HDJOAVVWSVDXQN-KWQFWETISA-N -1 0 303.340 -0.249 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@H]2CCC(=O)NC2=O)cc1=O ZINC001532001304 1014880717 /nfs/dbraw/zinc/88/07/17/1014880717.db2.gz GFJDLJHABMJVCM-JTQLQIEISA-N -1 0 308.338 -0.704 20 0 DBADRM COC[C@@H](NC(=O)c1cc2n(n1)CCC[C@@H]2O)c1nnn[n-]1 ZINC001364032988 982800780 /nfs/dbraw/zinc/80/07/80/982800780.db2.gz PMXNNJWLQKQFMP-SCZZXKLOSA-N -1 0 307.314 -0.659 20 0 DBADRM COC[C@H](NC(=O)c1c(C)coc1CC(=O)OC)c1nnn[n-]1 ZINC001364032674 982801234 /nfs/dbraw/zinc/80/12/34/982801234.db2.gz OUWGPBPBMAKIGZ-QMMMGPOBSA-N -1 0 323.309 -0.066 20 0 DBADRM COC[C@H](NC(=O)c1ccc(C(=O)OC)n1C)c1nnn[n-]1 ZINC001364039908 982803226 /nfs/dbraw/zinc/80/32/26/982803226.db2.gz YDMQOZJTDDVWDW-ZETCQYMHSA-N -1 0 308.298 -0.558 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1nnn(C)n1 ZINC001364043042 982804691 /nfs/dbraw/zinc/80/46/91/982804691.db2.gz VISWXHTZHOEUAY-SFYZADRCSA-N -1 0 303.344 -0.316 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)[C@@H]2Cc3cccnc3C2)n[n-]1 ZINC001364046612 982806316 /nfs/dbraw/zinc/80/63/16/982806316.db2.gz HFUTVYLGRWNWHY-MRVPVSSYSA-N -1 0 307.335 -0.043 20 0 DBADRM CO[C@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)[C@@H]1CCOC1 ZINC001364046161 982807334 /nfs/dbraw/zinc/80/73/34/982807334.db2.gz AWUIWQXECZILFC-RQJHMYQMSA-N -1 0 304.328 -0.802 20 0 DBADRM COCc1nn(C)cc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001364048648 982807715 /nfs/dbraw/zinc/80/77/15/982807715.db2.gz LGDSPCKXEBNMJL-UHFFFAOYSA-N -1 0 314.327 -0.660 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)[C@@H](C)O ZINC001364050827 982808570 /nfs/dbraw/zinc/80/85/70/982808570.db2.gz TYXZWDHUKJEDIG-SFYZADRCSA-N -1 0 314.385 -0.995 20 0 DBADRM COCC1(CS(=O)(=O)[N-][C@H](C(=O)OC)[C@@H](C)O)CCC1 ZINC001364051215 982808631 /nfs/dbraw/zinc/80/86/31/982808631.db2.gz UVIOTCSPNVOAAB-ZJUUUORDSA-N -1 0 309.384 -0.355 20 0 DBADRM C[C@H](NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)c1ccnn1C ZINC001364053571 982809191 /nfs/dbraw/zinc/80/91/91/982809191.db2.gz ITIOINVMIWPANA-ZETCQYMHSA-N -1 0 313.339 -0.741 20 0 DBADRM COC(=O)[C@@H](Cc1cncs1)NS(=O)(=O)c1ncc[n-]1 ZINC001364066617 982814791 /nfs/dbraw/zinc/81/47/91/982814791.db2.gz GPPMBMLQWAGABC-MRVPVSSYSA-N -1 0 316.364 -0.071 20 0 DBADRM COC(=O)[C@H](Cc1cncs1)NS(=O)(=O)c1ncc[n-]1 ZINC001364066619 982815170 /nfs/dbraw/zinc/81/51/70/982815170.db2.gz GPPMBMLQWAGABC-QMMMGPOBSA-N -1 0 316.364 -0.071 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)C(C)(F)F ZINC001532065384 1014882509 /nfs/dbraw/zinc/88/25/09/1014882509.db2.gz QTBSUQARCRDNSP-LURJTMIESA-N -1 0 321.284 -0.787 20 0 DBADRM CC[C@H](CS(=O)(=O)N[C@@](C)(Cn1cccn1)C(N)=O)OC ZINC001364077795 982819548 /nfs/dbraw/zinc/81/95/48/982819548.db2.gz XMPBNDXWNPIWQJ-PWSUYJOCSA-N -1 0 318.399 -0.529 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1Cc2nc(C)[nH]c(=O)c2C1 ZINC001364076566 982819600 /nfs/dbraw/zinc/81/96/00/982819600.db2.gz TZJLQDPVVTUFLV-ZETCQYMHSA-N -1 0 315.351 -0.055 20 0 DBADRM COCCS(=O)(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001364076545 982819704 /nfs/dbraw/zinc/81/97/04/982819704.db2.gz NTTZTUMIIBRSKJ-UHFFFAOYSA-N -1 0 303.340 -0.679 20 0 DBADRM O=c1[nH]c(CNS(=O)(=O)C2COC2)nc2c1COCC2 ZINC001364078214 982819838 /nfs/dbraw/zinc/81/98/38/982819838.db2.gz UBEGTTMNGMVPBE-UHFFFAOYSA-N -1 0 301.324 -0.927 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@H](CO)c2nncn2C)sn1 ZINC001364076503 982820015 /nfs/dbraw/zinc/82/00/15/982820015.db2.gz SUXJKMLGEFXGRW-SSDOTTSWSA-N -1 0 303.369 -0.408 20 0 DBADRM COC(=O)c1c(NC(=O)c2ccnc(C)n2)n[n-]c1OCCO ZINC001364102909 982827316 /nfs/dbraw/zinc/82/73/16/982827316.db2.gz IWOHBWHVXYNDQZ-UHFFFAOYSA-N -1 0 321.293 -0.082 20 0 DBADRM O=C(NCc1nnc2n1CCNC2=O)c1c([O-])cc(F)cc1F ZINC001364115496 982831996 /nfs/dbraw/zinc/83/19/96/982831996.db2.gz JAAFNNAJLJHDRZ-UHFFFAOYSA-N -1 0 323.259 -0.065 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC001364122264 982834767 /nfs/dbraw/zinc/83/47/67/982834767.db2.gz DNFKFDVEZSKHQE-NWDGAFQWSA-N -1 0 320.353 -0.279 20 0 DBADRM COC(=O)C(F)(F)C[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001364126761 982835275 /nfs/dbraw/zinc/83/52/75/982835275.db2.gz LXHUPNZQYLUAMJ-QMMMGPOBSA-N -1 0 316.326 -0.955 20 0 DBADRM C[S@](=O)[C@H]1CC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001364126167 982835291 /nfs/dbraw/zinc/83/52/91/982835291.db2.gz LQQCZJDEQSUQGV-QTYUKPITSA-N -1 0 323.378 -0.513 20 0 DBADRM COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)c2n[nH]c(=O)[n-]2)O1 ZINC001364142408 982838538 /nfs/dbraw/zinc/83/85/38/982838538.db2.gz RMLSOPPFPHUVND-GUBZILKMSA-N -1 0 312.326 -0.455 20 0 DBADRM COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)c2n[nH]c(=O)[n-]2)O1 ZINC001364142430 982838603 /nfs/dbraw/zinc/83/86/03/982838603.db2.gz RMLSOPPFPHUVND-LPEHRKFASA-N -1 0 312.326 -0.455 20 0 DBADRM COc1cnc(C(C)(C)NC(=O)C2CS(=O)(=O)C2)[nH]c1=O ZINC001364234470 982865642 /nfs/dbraw/zinc/86/56/42/982865642.db2.gz NJSJTKBLPDBFQV-UHFFFAOYSA-N -1 0 315.351 -0.413 20 0 DBADRM CN(CCCNC(=O)C1(F)CCOCC1)Cc1n[nH]c(=O)[n-]1 ZINC001490204710 1014892370 /nfs/dbraw/zinc/89/23/70/1014892370.db2.gz OCHJOTOUQSDNRE-UHFFFAOYSA-N -1 0 315.349 -0.033 20 0 DBADRM CN(CCCNC(=O)CCc1ccn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001490203664 1014892539 /nfs/dbraw/zinc/89/25/39/1014892539.db2.gz ZUKJTDQMGOMJHD-UHFFFAOYSA-N -1 0 321.385 -0.185 20 0 DBADRM O=C(Cn1ccc(C(F)F)n1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001364382474 982951856 /nfs/dbraw/zinc/95/18/56/982951856.db2.gz FFFLIHUJOMQLDM-MRVPVSSYSA-N -1 0 313.268 -0.066 20 0 DBADRM COC(=O)CC1(NCc2n[nH]c(=O)[n-]2)CCS(=O)(=O)CC1 ZINC001364393007 982955856 /nfs/dbraw/zinc/95/58/56/982955856.db2.gz IHMHBKXYUFTALI-UHFFFAOYSA-N -1 0 318.355 -0.890 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1nn(C)cc1[O-] ZINC001364395564 982959024 /nfs/dbraw/zinc/95/90/24/982959024.db2.gz MLMKHTBBIAWJKI-BDAKNGLRSA-N -1 0 316.383 -0.273 20 0 DBADRM COc1cnc([C@@H]2CCCN2C(=O)CCNC(N)=O)[nH]c1=O ZINC001364415981 982968598 /nfs/dbraw/zinc/96/85/98/982968598.db2.gz LKFKVPWBUFRWKC-QMMMGPOBSA-N -1 0 309.326 -0.087 20 0 DBADRM O=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCS(=O)(=O)CCO1 ZINC001364456645 983003351 /nfs/dbraw/zinc/00/33/51/983003351.db2.gz FJJLZFKWCQDQIE-UHFFFAOYSA-N -1 0 313.335 -0.138 20 0 DBADRM COC[C@](C)(CO)NCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC001364476011 983014778 /nfs/dbraw/zinc/01/47/78/983014778.db2.gz IBNOPXFOBDAFDW-ZDUSSCGKSA-N -1 0 313.379 -0.005 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC001364483810 983018884 /nfs/dbraw/zinc/01/88/84/983018884.db2.gz VOLADKKXQHAIQH-UHFFFAOYSA-N -1 0 309.326 -0.779 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001490251782 1014907120 /nfs/dbraw/zinc/90/71/20/1014907120.db2.gz WXLKEPSBPIGIAI-JTQLQIEISA-N -1 0 312.374 -0.637 20 0 DBADRM COC(=O)C1(O)CN(C(=O)c2cc(OC)c(O)c(OC)c2)C1 ZINC001364556096 983051452 /nfs/dbraw/zinc/05/14/52/983051452.db2.gz GPDLDAUKXGBMSF-UHFFFAOYSA-N -1 0 311.290 -0.231 20 0 DBADRM O=C(NCC1CN(C(=O)[C@@H]2CCNC(=O)C2)C1)C(F)(F)F ZINC001364557010 983051858 /nfs/dbraw/zinc/05/18/58/983051858.db2.gz KKUIAIVSJUALTE-MRVPVSSYSA-N -1 0 307.272 -0.351 20 0 DBADRM COCCn1cc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)c(C)n1 ZINC001364569925 983056206 /nfs/dbraw/zinc/05/62/06/983056206.db2.gz YKBBOZMXZDOBCW-JTQLQIEISA-N -1 0 305.342 -0.019 20 0 DBADRM O=C([C@@H]1CCc2nnnn2CC1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001364569864 983056613 /nfs/dbraw/zinc/05/66/13/983056613.db2.gz XXGLUQRNNRYURZ-RKDXNWHRSA-N -1 0 303.330 -0.845 20 0 DBADRM COC(=O)[C@@H](CC1CCOCC1)NC(=O)CCc1nnn[n-]1 ZINC001364620279 983073608 /nfs/dbraw/zinc/07/36/08/983073608.db2.gz MDDJVEFJBFMFQP-SNVBAGLBSA-N -1 0 311.342 -0.393 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCCN1CC(F)(F)F ZINC001364733366 983113070 /nfs/dbraw/zinc/11/30/70/983113070.db2.gz VZEAHEMWGGMWLT-SSDOTTSWSA-N -1 0 323.275 -0.168 20 0 DBADRM Cc1cc(=O)c(C(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)c[nH]1 ZINC001490264422 1014914493 /nfs/dbraw/zinc/91/44/93/1014914493.db2.gz DMWGFZKLARIOLL-UHFFFAOYSA-N -1 0 320.353 -0.241 20 0 DBADRM CC(C)(CNC(=O)CCCc1nnn[n-]1)CS(C)(=O)=O ZINC001364735430 983113730 /nfs/dbraw/zinc/11/37/30/983113730.db2.gz VKIVFZRVGSYYDI-UHFFFAOYSA-N -1 0 303.388 -0.291 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@H](Cc1ccccc1)C(N)=O ZINC001364767209 983127149 /nfs/dbraw/zinc/12/71/49/983127149.db2.gz PTJCGQZQEFYXKE-SNVBAGLBSA-N -1 0 319.408 -0.355 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CC[C@H](c2nn[nH]n2)C1 ZINC001364784926 983133017 /nfs/dbraw/zinc/13/30/17/983133017.db2.gz IZYXEIVZVDZTCS-VIFPVBQESA-N -1 0 310.358 -0.553 20 0 DBADRM C[S@](=O)CCNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC001364789749 983136053 /nfs/dbraw/zinc/13/60/53/983136053.db2.gz NBTXDCIWGRNAGO-IBGZPJMESA-N -1 0 322.339 -0.083 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1nc(C2CC2)no1 ZINC001364793534 983137202 /nfs/dbraw/zinc/13/72/02/983137202.db2.gz FFNDPQVIHUNCAG-IBGZPJMESA-N -1 0 323.400 -0.144 20 0 DBADRM NC(=O)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1[O-] ZINC001364797317 983140056 /nfs/dbraw/zinc/14/00/56/983140056.db2.gz MKVKMMWXBIQJPQ-UHFFFAOYSA-N -1 0 321.742 -0.091 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@H](O)COCC1CC1 ZINC001364802752 983142643 /nfs/dbraw/zinc/14/26/43/983142643.db2.gz DDIFAKITZDCVGX-VIFPVBQESA-N -1 0 300.402 -0.664 20 0 DBADRM NC(=O)COc1cccc(CNS(=O)(=O)c2ncc[n-]2)c1 ZINC001364810081 983145765 /nfs/dbraw/zinc/14/57/65/983145765.db2.gz DHBTZQJFRQMRIM-UHFFFAOYSA-N -1 0 310.335 -0.248 20 0 DBADRM COC[C@H](O)CC[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001364812043 983145957 /nfs/dbraw/zinc/14/59/57/983145957.db2.gz CDITYSJXHCGKFA-MRVPVSSYSA-N -1 0 307.324 -0.258 20 0 DBADRM CCOC(=O)[C@H](CSC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001364823829 983157714 /nfs/dbraw/zinc/15/77/14/983157714.db2.gz OJBABNDVGXJEIR-LURJTMIESA-N -1 0 304.328 -0.900 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC001364828944 983161259 /nfs/dbraw/zinc/16/12/59/983161259.db2.gz PMUMVZASDTVGHK-SECBINFHSA-N -1 0 324.355 -0.417 20 0 DBADRM CNC(=O)[C@@H](O)CNS(=O)(=O)c1cccc(Cl)c1[O-] ZINC001364845224 983165656 /nfs/dbraw/zinc/16/56/56/983165656.db2.gz SDBCSIPQIIPCRP-ZETCQYMHSA-N -1 0 308.743 -0.569 20 0 DBADRM CS(=O)(=O)c1cccnc1CNS(=O)(=O)c1ncc[n-]1 ZINC001364841527 983166214 /nfs/dbraw/zinc/16/62/14/983166214.db2.gz VEJOSNZCSCMWSB-UHFFFAOYSA-N -1 0 316.364 -0.313 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1ncc[n-]1)C(=O)OC ZINC001364855294 983170754 /nfs/dbraw/zinc/17/07/54/983170754.db2.gz LCWSWEWESHBCME-SSDOTTSWSA-N -1 0 305.312 -0.817 20 0 DBADRM COCC[C@H](C)S(=O)(=O)NCC(=O)N=S(C)(C)=O ZINC001364867015 983177041 /nfs/dbraw/zinc/17/70/41/983177041.db2.gz MLGICRXLDKUERZ-QMMMGPOBSA-N -1 0 300.402 -0.415 20 0 DBADRM C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)O2)CO1 ZINC001364878376 983182235 /nfs/dbraw/zinc/18/22/35/983182235.db2.gz OAYQDYJWJNJYOM-VYUIOLGVSA-N -1 0 312.326 -0.468 20 0 DBADRM NC(=O)C[C@H]1CN(S(=O)(=O)c2cc([O-])cc(F)c2)CCO1 ZINC001364896716 983188679 /nfs/dbraw/zinc/18/86/79/983188679.db2.gz IMJBARXFBGYUFZ-JTQLQIEISA-N -1 0 318.326 -0.204 20 0 DBADRM NC(=O)C[C@@H]1CN(S(=O)(=O)c2cc([O-])cc(F)c2)CCO1 ZINC001364896718 983189097 /nfs/dbraw/zinc/18/90/97/983189097.db2.gz IMJBARXFBGYUFZ-SNVBAGLBSA-N -1 0 318.326 -0.204 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H]1COCC[C@H]1O ZINC001364928478 983202760 /nfs/dbraw/zinc/20/27/60/983202760.db2.gz SUVBSWFCFMJQJD-RKDXNWHRSA-N -1 0 305.308 -0.506 20 0 DBADRM CNC(=O)C1(NS(=O)(=O)Cc2nocc2C)CCOCC1 ZINC001364934366 983203461 /nfs/dbraw/zinc/20/34/61/983203461.db2.gz KJRMPDXJOZGRIP-UHFFFAOYSA-N -1 0 317.367 -0.302 20 0 DBADRM O=C1OCCN1CCS(=O)(=O)[N-][C@@H](CCO)C(F)(F)F ZINC001364933058 983204276 /nfs/dbraw/zinc/20/42/76/983204276.db2.gz CLXNIDGNVPXKSV-ZETCQYMHSA-N -1 0 320.289 -0.329 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC23CC(O)C3)on1 ZINC001364943385 983206657 /nfs/dbraw/zinc/20/66/57/983206657.db2.gz OLDUOTKYEDQWSV-WINXVSCGSA-N -1 0 302.308 -0.347 20 0 DBADRM CCn1ncc(CN2CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)n1 ZINC001364953180 983211038 /nfs/dbraw/zinc/21/10/38/983211038.db2.gz YOLLZFHTWMIFMB-UHFFFAOYSA-N -1 0 319.369 -0.007 20 0 DBADRM CC(C)n1nnc([N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)n1 ZINC001364962901 983214267 /nfs/dbraw/zinc/21/42/67/983214267.db2.gz MIRYGQBEWTYBEG-VIFPVBQESA-N -1 0 314.371 -0.241 20 0 DBADRM COC(=O)C1(NS(=O)(=O)C[C@H](OC)C(C)C)CC(CO)C1 ZINC001364978738 983219997 /nfs/dbraw/zinc/21/99/97/983219997.db2.gz QFEQVRAEWLCGSA-AKJDGMEZSA-N -1 0 323.411 -0.109 20 0 DBADRM CCCNC(=O)C[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001365019224 983230991 /nfs/dbraw/zinc/23/09/91/983230991.db2.gz ZBCNQGPPNRHBMZ-UHFFFAOYSA-N -1 0 304.324 -0.129 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC2(C1)CCNC(=O)O2 ZINC001365054038 983242283 /nfs/dbraw/zinc/24/22/83/983242283.db2.gz WDFDZMNCSWTZCD-UHFFFAOYSA-N -1 0 311.298 -0.820 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC001365055445 983244313 /nfs/dbraw/zinc/24/43/13/983244313.db2.gz NRWIFTMXXTXTKA-UHFFFAOYSA-N -1 0 324.366 -0.160 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)c1cc(F)cc(F)c1[O-] ZINC001365065225 983247252 /nfs/dbraw/zinc/24/72/52/983247252.db2.gz MTVUPOAXGBBAHF-SSDOTTSWSA-N -1 0 309.290 -0.194 20 0 DBADRM C[C@@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H]1CO ZINC001365186375 983290262 /nfs/dbraw/zinc/29/02/62/983290262.db2.gz ZWSKNYNMGCAFNK-MWLCHTKSSA-N -1 0 305.338 -0.309 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC001365203530 983296512 /nfs/dbraw/zinc/29/65/12/983296512.db2.gz XIKQRMUQWITVQL-QMMMGPOBSA-N -1 0 302.360 -0.987 20 0 DBADRM COC(=O)[C@H]1[C@H](O)CCCN1Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001365299648 983328170 /nfs/dbraw/zinc/32/81/70/983328170.db2.gz WRPZVLSFOAXAEU-DGCLKSJQSA-N -1 0 323.349 -0.247 20 0 DBADRM CC(C)(C)OC(=O)[C@](C)(O)CNS(=O)(=O)c1ncc[n-]1 ZINC001365381448 983356968 /nfs/dbraw/zinc/35/69/68/983356968.db2.gz SBEZJEYBCNUQAP-LLVKDONJSA-N -1 0 305.356 -0.219 20 0 DBADRM CC(C)[C@H](CNC(=O)C1(C)CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001532754554 1014939459 /nfs/dbraw/zinc/93/94/59/1014939459.db2.gz MLJSJYPCRCGDLY-QMMMGPOBSA-N -1 0 323.353 -0.047 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCc2snnc2C)n[nH]1 ZINC001365408525 983368963 /nfs/dbraw/zinc/36/89/63/983368963.db2.gz NEKILWQAMCWNOE-UHFFFAOYSA-N -1 0 317.352 -0.165 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@](C)(CO)C(=O)OC ZINC001365418048 983372858 /nfs/dbraw/zinc/37/28/58/983372858.db2.gz PGLCWRIILHZLOE-NSHDSACASA-N -1 0 321.307 -0.732 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@@H](CO)[C@@H]1CCCOC1 ZINC001365419308 983374290 /nfs/dbraw/zinc/37/42/90/983374290.db2.gz SGNULTSUSXEPLS-BDAKNGLRSA-N -1 0 300.402 -0.664 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)[N-]S(=O)(=O)Cc1ccon1 ZINC001365475175 983400181 /nfs/dbraw/zinc/40/01/81/983400181.db2.gz LBNWSTWHNZFAFN-VIFPVBQESA-N -1 0 320.323 -0.601 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1ccc2c(c1)CC(=O)N2C ZINC001365500760 983404016 /nfs/dbraw/zinc/40/40/16/983404016.db2.gz OZDZOEMAUDDVDJ-UHFFFAOYSA-N -1 0 315.337 -0.045 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@H](CS(C)(=O)=O)C1 ZINC001365499909 983404203 /nfs/dbraw/zinc/40/42/03/983404203.db2.gz BAZREYUFIWEGFM-VIFPVBQESA-N -1 0 316.387 -0.597 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365589113 983433857 /nfs/dbraw/zinc/43/38/57/983433857.db2.gz FMGLEBGLUOHFOO-RKDXNWHRSA-N -1 0 310.358 -0.076 20 0 DBADRM Cc1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)ncn1 ZINC001365624314 983444154 /nfs/dbraw/zinc/44/41/54/983444154.db2.gz RXMBKWHQUKQSPI-UHFFFAOYSA-N -1 0 303.326 -0.433 20 0 DBADRM O=C(NC[C@H]1CCCNC1=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001365642867 983452278 /nfs/dbraw/zinc/45/22/78/983452278.db2.gz ZBWIBXYTNPRECL-ZJUUUORDSA-N -1 0 322.369 -0.075 20 0 DBADRM CCCn1nccc1NC(=O)CN1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001596122190 983461142 /nfs/dbraw/zinc/46/11/42/983461142.db2.gz UGGWRRRTVGGXMG-GHMZBOCLSA-N -1 0 310.354 -0.001 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@@H](O)CC(C)(C)C)c(=O)[nH]c1=O ZINC001365660706 983462229 /nfs/dbraw/zinc/46/22/29/983462229.db2.gz SADKPWHCLMYVLE-QMMMGPOBSA-N -1 0 319.383 -0.439 20 0 DBADRM Cc1cn(C)nc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001365695596 983484474 /nfs/dbraw/zinc/48/44/74/983484474.db2.gz XDJLQRPJVJGIRX-UHFFFAOYSA-N -1 0 305.342 -0.490 20 0 DBADRM COC(=O)C[C@@]1(NS(=O)(=O)c2ncc[n-]2)CCCOC1 ZINC001365701483 983487675 /nfs/dbraw/zinc/48/76/75/983487675.db2.gz RRIOZZDAVMZBHH-NSHDSACASA-N -1 0 303.340 -0.200 20 0 DBADRM CN(C(N)=O)c1cccc([N-]S(=O)(=O)[C@@H]2COC[C@H]2O)c1 ZINC001365704291 983489691 /nfs/dbraw/zinc/48/96/91/983489691.db2.gz HWBMYTRWBDRJNZ-GHMZBOCLSA-N -1 0 315.351 -0.297 20 0 DBADRM COC(=O)CNC(=O)CNS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001365703040 983489710 /nfs/dbraw/zinc/48/97/10/983489710.db2.gz MFVIGKUXJNKQBT-UHFFFAOYSA-N -1 0 320.298 -0.901 20 0 DBADRM COC(=O)c1ccnc(S(=O)(=O)N[C@]2(C)CCOC2=O)c1 ZINC001365711528 983494785 /nfs/dbraw/zinc/49/47/85/983494785.db2.gz UQYDTTJFALSFKX-GFCCVEGCSA-N -1 0 314.319 -0.148 20 0 DBADRM Cc1nn(CCS(=O)(=O)N[C@H]2C(=O)OCC2(C)C)c(=O)o1 ZINC001365713762 983495923 /nfs/dbraw/zinc/49/59/23/983495923.db2.gz YDMMEMDILZPPDU-QMMMGPOBSA-N -1 0 319.339 -0.984 20 0 DBADRM CCN(C(=O)Cn1cc(S(N)(=O)=O)cn1)C(C)(C)C(=O)[O-] ZINC001596147938 983503461 /nfs/dbraw/zinc/50/34/61/983503461.db2.gz LEKVLCZTOIFIGC-UHFFFAOYSA-N -1 0 318.355 -0.758 20 0 DBADRM CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)[nH]n1)C(=O)OC ZINC001365737324 983512661 /nfs/dbraw/zinc/51/26/61/983512661.db2.gz YWXDWYBKFXURFP-LURJTMIESA-N -1 0 305.312 -0.574 20 0 DBADRM CC(C)n1nnc([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)n1 ZINC001365739346 983513803 /nfs/dbraw/zinc/51/38/03/983513803.db2.gz IVMDEFRZNPXMQV-SFHVURJKSA-N -1 0 311.393 -0.515 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001365744587 983519364 /nfs/dbraw/zinc/51/93/64/983519364.db2.gz FXZXWYZOJAJGEJ-BETUJISGSA-N -1 0 315.395 -0.055 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001365892822 983580336 /nfs/dbraw/zinc/58/03/36/983580336.db2.gz NZKYNOKGGKKJFZ-BBBLOLIVSA-N -1 0 324.385 -0.496 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001596442934 1017145243 /nfs/dbraw/zinc/14/52/43/1017145243.db2.gz WWKZFIBNCMMJMZ-GRYCIOLGSA-N -1 0 300.355 -0.154 20 0 DBADRM Cn1ccc(CCC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001365972691 983628052 /nfs/dbraw/zinc/62/80/52/983628052.db2.gz AGWQXVKCBQFPAQ-LLVKDONJSA-N -1 0 319.369 -0.433 20 0 DBADRM Cn1nccc1CCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001365977242 983631283 /nfs/dbraw/zinc/63/12/83/983631283.db2.gz FCLUTJKJWYIAGQ-SNVBAGLBSA-N -1 0 319.369 -0.433 20 0 DBADRM Cc1ncc(CN(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001366588234 983870507 /nfs/dbraw/zinc/87/05/07/983870507.db2.gz UFUYKQRUGYGOLR-UHFFFAOYSA-N -1 0 310.314 -0.766 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1nocc1C ZINC001366618924 983881262 /nfs/dbraw/zinc/88/12/62/983881262.db2.gz FGXCVOXCTXFVRP-UHFFFAOYSA-N -1 0 322.325 -0.169 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC001366682963 983907956 /nfs/dbraw/zinc/90/79/56/983907956.db2.gz LXKOYYFFKIXAAE-WDEREUQCSA-N -1 0 319.369 -0.094 20 0 DBADRM O=C(C[C@H]1CCC(=O)N1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001366696412 983920134 /nfs/dbraw/zinc/92/01/34/983920134.db2.gz LZKXUOMSAGJCIG-VHSXEESVSA-N -1 0 322.369 -0.883 20 0 DBADRM C[C@@]1(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCOC1 ZINC001366701281 983927449 /nfs/dbraw/zinc/92/74/49/983927449.db2.gz XXRDOZPFSCNBSB-IINYFYTJSA-N -1 0 309.370 -0.125 20 0 DBADRM CCN1CCO[C@H](C(=O)N2CCSC[C@@H](C(=O)[O-])C2)C1 ZINC001596442690 1017145426 /nfs/dbraw/zinc/14/54/26/1017145426.db2.gz OPPRENZZYXYYBB-QWRGUYRKSA-N -1 0 302.396 -0.017 20 0 DBADRM NC(=O)[C@H]1CC[C@H]1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001366748021 983966366 /nfs/dbraw/zinc/96/63/66/983966366.db2.gz POILLZHMKDUHJR-VHSXEESVSA-N -1 0 322.369 -0.898 20 0 DBADRM COC[C@@H](O)CN1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001366943235 984076314 /nfs/dbraw/zinc/07/63/14/984076314.db2.gz XMGYYHZGZOOGKX-VIFPVBQESA-N -1 0 322.321 -0.650 20 0 DBADRM Cc1cc(CN2CC(CNC(=O)Cn3c(=O)[n-][nH]c3=O)C2)no1 ZINC001366986612 984102864 /nfs/dbraw/zinc/10/28/64/984102864.db2.gz ABHAPKFBERSEQC-UHFFFAOYSA-N -1 0 322.325 -0.766 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CN[C@@H](C)c2nnnn2C)c1[O-] ZINC001367357484 984282201 /nfs/dbraw/zinc/28/22/01/984282201.db2.gz YZVNWSLURCZZPU-CBAPKCEASA-N -1 0 322.373 -0.241 20 0 DBADRM CN(CCN(C)C(=O)CCn1cccn1)Cc1n[nH]c(=O)[n-]1 ZINC001367508839 984326212 /nfs/dbraw/zinc/32/62/12/984326212.db2.gz WFVSQKKLSFXNDV-UHFFFAOYSA-N -1 0 307.358 -0.313 20 0 DBADRM Cc1cc(C)n(CC(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001367520612 984332815 /nfs/dbraw/zinc/33/28/15/984332815.db2.gz DWEUVDLKZFQMFM-UHFFFAOYSA-N -1 0 321.385 -0.086 20 0 DBADRM Cc1cc(CN(C)CCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001367521913 984332886 /nfs/dbraw/zinc/33/28/86/984332886.db2.gz ITPRUWFLAYCYTE-UHFFFAOYSA-N -1 0 322.325 -0.217 20 0 DBADRM Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)c1ncccc1[O-] ZINC001367571885 984362640 /nfs/dbraw/zinc/36/26/40/984362640.db2.gz FURCXUKZPMGQRX-SNVBAGLBSA-N -1 0 306.322 -0.036 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1ccncn1 ZINC001367800314 984629627 /nfs/dbraw/zinc/62/96/27/984629627.db2.gz BFHMGRVTQNZVOW-SNVBAGLBSA-N -1 0 319.369 -0.130 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cn2c(n1)CCC2 ZINC001367805429 984636745 /nfs/dbraw/zinc/63/67/45/984636745.db2.gz LHRSOFCEMWRUQZ-SECBINFHSA-N -1 0 319.369 -0.097 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001367830425 984666823 /nfs/dbraw/zinc/66/68/23/984666823.db2.gz UPBXHZMPKKLPPK-UWVGGRQHSA-N -1 0 324.385 -0.494 20 0 DBADRM CNC(=O)CN(C)C[C@H](C)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001367849378 984700407 /nfs/dbraw/zinc/70/04/07/984700407.db2.gz ORHMBIWXUGJHMG-QMMMGPOBSA-N -1 0 321.337 -0.276 20 0 DBADRM CCNC(=O)CCC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001367934387 984807872 /nfs/dbraw/zinc/80/78/72/984807872.db2.gz LDKKQQUZJDYHPF-SECBINFHSA-N -1 0 310.358 -0.883 20 0 DBADRM O=C(C[C@H]1COC(=O)C1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001367938947 984809148 /nfs/dbraw/zinc/80/91/48/984809148.db2.gz JVPDMDSXUXCSDX-BDAKNGLRSA-N -1 0 309.326 -0.846 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(CC[C@H]3CCCO3)C2)c1[O-] ZINC001368290854 985047187 /nfs/dbraw/zinc/04/71/87/985047187.db2.gz QHTFTRZGACIXKJ-LLVKDONJSA-N -1 0 324.381 -0.231 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NCc2nnnn2C)c1[O-] ZINC001368849059 985506059 /nfs/dbraw/zinc/50/60/59/985506059.db2.gz WCVVYZUJWUDLLY-RQJHMYQMSA-N -1 0 308.346 -0.756 20 0 DBADRM CCNC(=O)CC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001596456702 1017148588 /nfs/dbraw/zinc/14/85/88/1017148588.db2.gz ZBSQFRPJLHETPB-DTWKUNHWSA-N -1 0 300.311 -0.623 20 0 DBADRM CC(C)[C@@H](F)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001369025882 985672277 /nfs/dbraw/zinc/67/22/77/985672277.db2.gz FXXZYTQNJJCDQI-SNVBAGLBSA-N -1 0 315.349 -0.443 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(CC(=O)NC(C)C)C2)c1[O-] ZINC001369068748 985694976 /nfs/dbraw/zinc/69/49/76/985694976.db2.gz DQHNVYAJAUYGCA-SECBINFHSA-N -1 0 323.397 -0.002 20 0 DBADRM CCn1nncc1CN[C@@H](CO)CNC(=O)c1ccccc1O ZINC001369313103 985865463 /nfs/dbraw/zinc/86/54/63/985865463.db2.gz XZJRCFKFNMKGJM-LLVKDONJSA-N -1 0 319.365 -0.116 20 0 DBADRM O=C(CC[C@H]1CCCO1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001369313494 985866024 /nfs/dbraw/zinc/86/60/24/985866024.db2.gz YVCPSLSLWDDAMV-VHSXEESVSA-N -1 0 313.358 -0.964 20 0 DBADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)CN1CC(=O)N(C)C1=O ZINC001589261220 985920273 /nfs/dbraw/zinc/92/02/73/985920273.db2.gz XXINBYUNGXLXNZ-UHFFFAOYSA-N -1 0 322.277 -0.252 20 0 DBADRM Cc1coc(C)c1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001369341094 985921957 /nfs/dbraw/zinc/92/19/57/985921957.db2.gz XOEOQSPSYUULAZ-VIFPVBQESA-N -1 0 309.326 -0.399 20 0 DBADRM CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001490964266 1015173876 /nfs/dbraw/zinc/17/38/76/1015173876.db2.gz TUWQJRIDKQZVET-FGWVZKOKSA-N -1 0 322.369 -0.742 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001596451542 1017150475 /nfs/dbraw/zinc/15/04/75/1017150475.db2.gz FITLIOGTKTXHAR-QMMMGPOBSA-N -1 0 307.306 -0.036 20 0 DBADRM COCCN(CCNC(=O)c1ccoc1)Cc1n[nH]c(=O)[n-]1 ZINC001369549688 986281092 /nfs/dbraw/zinc/28/10/92/986281092.db2.gz BIFRGPDGULPRCX-UHFFFAOYSA-N -1 0 309.326 -0.018 20 0 DBADRM COCCN(CCNC(=O)c1ccn[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001369554472 986282402 /nfs/dbraw/zinc/28/24/02/986282402.db2.gz PIGQARHHCLWERG-UHFFFAOYSA-N -1 0 309.330 -0.888 20 0 DBADRM COCCN(CCNC(=O)c1n[nH]cc1C)Cc1n[nH]c(=O)[n-]1 ZINC001369551665 986282860 /nfs/dbraw/zinc/28/28/60/986282860.db2.gz NCINGSVGVBHUKL-UHFFFAOYSA-N -1 0 323.357 -0.580 20 0 DBADRM CCC(=O)NCC1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001369630944 986308421 /nfs/dbraw/zinc/30/84/21/986308421.db2.gz KIUMOBBHINYYTH-UHFFFAOYSA-N -1 0 323.353 -0.364 20 0 DBADRM CCC(=O)NC[C@@H](C)N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001369758849 986349050 /nfs/dbraw/zinc/34/90/50/986349050.db2.gz KGEHTYWAYWKNOD-SECBINFHSA-N -1 0 313.358 -0.157 20 0 DBADRM C[C@H](CNC(=O)C(F)F)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001369768916 986353912 /nfs/dbraw/zinc/35/39/12/986353912.db2.gz WRHBZRRMEWSDPM-SCSAIBSYSA-N -1 0 305.241 -0.875 20 0 DBADRM CCNC(=O)CC(=O)NC[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001596456642 1017150505 /nfs/dbraw/zinc/15/05/05/1017150505.db2.gz XAYWREYZMMFOTI-MRVPVSSYSA-N -1 0 309.326 -0.382 20 0 DBADRM C[C@H](CNC(=O)[C@@]1(C)C=CCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001533848252 1015220734 /nfs/dbraw/zinc/22/07/34/1015220734.db2.gz VRDGKZMXAICUKJ-OTYXRUKQSA-N -1 0 323.353 -0.334 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)CCCF ZINC001369915034 986457773 /nfs/dbraw/zinc/45/77/73/986457773.db2.gz ZVLIFJORXZQGQP-QMMMGPOBSA-N -1 0 317.321 -0.598 20 0 DBADRM O=C(NCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccsc1 ZINC001491088456 1015224579 /nfs/dbraw/zinc/22/45/79/1015224579.db2.gz GREVFDPJHDITAP-UHFFFAOYSA-N -1 0 309.307 -0.496 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C2(C)CC2)C1 ZINC001370121139 986604645 /nfs/dbraw/zinc/60/46/45/986604645.db2.gz BOAJVJDGCPNIFK-QMMMGPOBSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)NC(=O)c1cn[nH]n1 ZINC001370515144 986782931 /nfs/dbraw/zinc/78/29/31/986782931.db2.gz NHCLAWCHHBJKNH-VHSXEESVSA-N -1 0 322.369 -0.702 20 0 DBADRM C[C@H](CN(C)C(=O)C(C)(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001370609669 986817395 /nfs/dbraw/zinc/81/73/95/986817395.db2.gz FDORSPBSNCSAFM-MRVPVSSYSA-N -1 0 313.358 -0.302 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)C2CC3(CC3)C2)c1[O-] ZINC001370679124 986877931 /nfs/dbraw/zinc/87/79/31/986877931.db2.gz GUARTCOBVVMWOU-JTQLQIEISA-N -1 0 322.365 -0.179 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)C2=CCCC2)c1[O-] ZINC001370688515 986889291 /nfs/dbraw/zinc/88/92/91/986889291.db2.gz SZWVXKIINVJUNQ-JTQLQIEISA-N -1 0 308.338 -0.259 20 0 DBADRM CC(C)CC(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001534660488 1015261976 /nfs/dbraw/zinc/26/19/76/1015261976.db2.gz PYTKIAGHJGOVJT-QMMMGPOBSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(C)CC(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001534660487 1015262173 /nfs/dbraw/zinc/26/21/73/1015262173.db2.gz PYTKIAGHJGOVJT-MRVPVSSYSA-N -1 0 309.326 -0.340 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNC(=O)c2cc[nH]c2)c1[O-] ZINC001370979003 987099085 /nfs/dbraw/zinc/09/90/85/987099085.db2.gz GRRBWBXRLAPUOO-JTQLQIEISA-N -1 0 321.337 -0.385 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNC(=O)C(F)F)c1[O-] ZINC001370978032 987099592 /nfs/dbraw/zinc/09/95/92/987099592.db2.gz DWYROQKSYPQNPG-ZCFIWIBFSA-N -1 0 306.269 -0.762 20 0 DBADRM O=C([O-])C1(NC(=O)[C@H]2CCc3nnnn3CC2)CCOCC1 ZINC001594723118 987219227 /nfs/dbraw/zinc/21/92/27/987219227.db2.gz DMKBSUDVHZETOA-VIFPVBQESA-N -1 0 309.326 -0.624 20 0 DBADRM O=C([O-])C1(NC(=O)[C@@H]2CCc3nncn3CC2)CCOCC1 ZINC001594723127 987219236 /nfs/dbraw/zinc/21/92/36/987219236.db2.gz FJALBKCBUYJDOX-SNVBAGLBSA-N -1 0 308.338 -0.019 20 0 DBADRM CC(=O)N1CCCC[C@@H]1CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001371377063 987332018 /nfs/dbraw/zinc/33/20/18/987332018.db2.gz XJIVHLLFQHGGTK-SNVBAGLBSA-N -1 0 311.342 -0.451 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)CCOCC(F)F)c1[O-] ZINC001491230481 1015299921 /nfs/dbraw/zinc/29/99/21/1015299921.db2.gz GPMBYKYCKVSNST-UHFFFAOYSA-N -1 0 320.296 -0.058 20 0 DBADRM CCc1n[nH]cc1C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001491233735 1015301641 /nfs/dbraw/zinc/30/16/41/1015301641.db2.gz VSMXGSDZZQBWEY-UHFFFAOYSA-N -1 0 306.326 -0.131 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)CCCC(N)=O)C1 ZINC001371694743 987468652 /nfs/dbraw/zinc/46/86/52/987468652.db2.gz BYSSBEMQLVBTNF-JTQLQIEISA-N -1 0 324.385 -0.411 20 0 DBADRM CC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001534950297 1015312051 /nfs/dbraw/zinc/31/20/51/1015312051.db2.gz LEGOWFVVZATHAO-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)N1CCCC[C@H]1CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001371820348 987509788 /nfs/dbraw/zinc/50/97/88/987509788.db2.gz XJIVHLLFQHGGTK-JTQLQIEISA-N -1 0 311.342 -0.451 20 0 DBADRM CN(CCNC(=O)c1nn(C)cc1Cl)Cc1n[nH]c(=O)[n-]1 ZINC001371979338 987585820 /nfs/dbraw/zinc/58/58/20/987585820.db2.gz SVZHYFWPJYKRMD-UHFFFAOYSA-N -1 0 313.749 -0.241 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NCCNC(=O)[C@@H]1CC1(F)F ZINC001491270659 1015326092 /nfs/dbraw/zinc/32/60/92/1015326092.db2.gz DHVJALDIIGGCOT-ZETCQYMHSA-N -1 0 300.265 -0.008 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001372283589 987714269 /nfs/dbraw/zinc/71/42/69/987714269.db2.gz RMZHCDOVWWVDQX-QMMMGPOBSA-N -1 0 309.326 -0.658 20 0 DBADRM CC[C@H](F)C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001372514958 987789754 /nfs/dbraw/zinc/78/97/54/987789754.db2.gz PUZSMPZLXRGFQM-YUMQZZPRSA-N -1 0 315.305 -0.846 20 0 DBADRM C[C@@]1(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CCC(=O)N1 ZINC001372656264 987836971 /nfs/dbraw/zinc/83/69/71/987836971.db2.gz UOKDBHCHBXDBTR-XPTSAGLGSA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(Cc1cnoc1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001372658574 987837595 /nfs/dbraw/zinc/83/75/95/987837595.db2.gz SEHMBEPCVSWKGQ-VIFPVBQESA-N -1 0 306.326 -0.321 20 0 DBADRM CCCN(CCNC(=O)[C@H]1CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001372684022 987843944 /nfs/dbraw/zinc/84/39/44/987843944.db2.gz LZDNFJBSMYRNOZ-SECBINFHSA-N -1 0 310.358 -0.883 20 0 DBADRM COc1cc(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)on1 ZINC001372790042 987880469 /nfs/dbraw/zinc/88/04/69/987880469.db2.gz SDIZUKMLRYKFRD-UHFFFAOYSA-N -1 0 322.325 -0.099 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1CC1(C)C ZINC001373010535 988036413 /nfs/dbraw/zinc/03/64/13/988036413.db2.gz CSIOXPZGSDMEJG-SFYZADRCSA-N -1 0 311.342 -0.644 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1CC12CC2 ZINC001373010539 988037959 /nfs/dbraw/zinc/03/79/59/988037959.db2.gz CTUHZQSDMMEZRG-SFYZADRCSA-N -1 0 309.326 -0.890 20 0 DBADRM CN(CCNC(=O)C1CC1)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001373343753 988244483 /nfs/dbraw/zinc/24/44/83/988244483.db2.gz NHQHERNSMKFXNX-UHFFFAOYSA-N -1 0 309.326 -0.800 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)Cn3ccnc3)CC2)c1[O-] ZINC001535578711 1015375814 /nfs/dbraw/zinc/37/58/14/1015375814.db2.gz QIJVCJZBLJJPQF-UHFFFAOYSA-N -1 0 318.337 -0.301 20 0 DBADRM O=C(CCc1cn[nH]n1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373403915 988319791 /nfs/dbraw/zinc/31/97/91/988319791.db2.gz LYUCKMWQEHMKAF-JTQLQIEISA-N -1 0 320.357 -0.658 20 0 DBADRM CCCNC(=O)[C@H](C)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001373420441 988337151 /nfs/dbraw/zinc/33/71/51/988337151.db2.gz QIIBGHHXZRBDQW-VIFPVBQESA-N -1 0 309.370 -0.248 20 0 DBADRM CC(C)=CC(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001535652516 1015383245 /nfs/dbraw/zinc/38/32/45/1015383245.db2.gz IRFPTYGSSSLWLW-UHFFFAOYSA-N -1 0 307.310 -0.372 20 0 DBADRM CO[C@H](CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)C(F)(F)F ZINC001373471099 988378459 /nfs/dbraw/zinc/37/84/59/988378459.db2.gz NPUUXAYWSFKPQV-SSDOTTSWSA-N -1 0 323.275 -0.222 20 0 DBADRM C[C@@](O)(CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001373626468 988504418 /nfs/dbraw/zinc/50/44/18/988504418.db2.gz SGULWQBDVNDUNL-QMTHXVAHSA-N -1 0 309.370 -0.248 20 0 DBADRM CC[C@@H](F)C(=O)NCCN(CC)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001373935863 988683191 /nfs/dbraw/zinc/68/31/91/988683191.db2.gz MBEIFSGUUQYEIK-SSDOTTSWSA-N -1 0 315.305 -0.391 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N[C@@H](C)c2nnnn2C)c1[O-] ZINC001491429709 1015414711 /nfs/dbraw/zinc/41/47/11/1015414711.db2.gz CVYTYQUGZMEYTK-SVRRBLITSA-N -1 0 308.346 -0.584 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)C12CCC(CC1)C2 ZINC001491433568 1015415178 /nfs/dbraw/zinc/41/51/78/1015415178.db2.gz CTOFCPWNIBPPSS-UHFFFAOYSA-N -1 0 323.353 -0.498 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(Cc3cn(C)nn3)CC2)c1[O-] ZINC001374078962 988770296 /nfs/dbraw/zinc/77/02/96/988770296.db2.gz XLSWIVLNYHHPLL-UHFFFAOYSA-N -1 0 305.342 -0.490 20 0 DBADRM CCn1ccc(CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001374084497 988771641 /nfs/dbraw/zinc/77/16/41/988771641.db2.gz GICHVOLPTFCRRR-UHFFFAOYSA-N -1 0 319.369 -0.386 20 0 DBADRM CCOC(=O)[C@](C)(O)CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001596516341 1017154896 /nfs/dbraw/zinc/15/48/96/1017154896.db2.gz LBCBZIKDVZPUGI-IMSIIYSGSA-N -1 0 317.338 -0.171 20 0 DBADRM CN(CCN(C)C(=O)c1nccnc1N)Cc1n[nH]c(=O)[n-]1 ZINC001374475090 988883819 /nfs/dbraw/zinc/88/38/19/988883819.db2.gz ANCMFQMVGULGMM-UHFFFAOYSA-N -1 0 306.330 -0.914 20 0 DBADRM CN(CCN(C)C(=O)c1n[nH]c2c1CCC2)Cc1n[nH]c(=O)[n-]1 ZINC001374513404 988893902 /nfs/dbraw/zinc/89/39/02/988893902.db2.gz QENSPDKSGCRYKD-UHFFFAOYSA-N -1 0 319.369 -0.074 20 0 DBADRM CCc1ncc(NC(=O)C(=O)NCCSCC(=O)[O-])cn1 ZINC001597702340 988926517 /nfs/dbraw/zinc/92/65/17/988926517.db2.gz DKLFMVZVGRBUPU-UHFFFAOYSA-N -1 0 312.351 -0.089 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001597722986 989004265 /nfs/dbraw/zinc/00/42/65/989004265.db2.gz BUVDVDHHEPLBCR-VXNVDRBHSA-N -1 0 303.340 -0.809 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001597723197 989007186 /nfs/dbraw/zinc/00/71/86/989007186.db2.gz VLZNZYIHKZIVHK-XVKPBYJWSA-N -1 0 312.301 -0.055 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)CC(=O)[O-] ZINC001596519044 1017155238 /nfs/dbraw/zinc/15/52/38/1017155238.db2.gz JHYSZSRNXIPZTH-YIZRAAEISA-N -1 0 302.327 -0.330 20 0 DBADRM CCCC1(C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001374726866 989172473 /nfs/dbraw/zinc/17/24/73/989172473.db2.gz POVNZZMQNVDFHV-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCn1cncn1 ZINC001375001349 989358166 /nfs/dbraw/zinc/35/81/66/989358166.db2.gz GAJJIUZXHSYLLX-VIFPVBQESA-N -1 0 308.346 -0.871 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H](CC)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001375170940 989466405 /nfs/dbraw/zinc/46/64/05/989466405.db2.gz PNDJKNYQLWGBDL-RNFRBKRXSA-N -1 0 315.305 -0.345 20 0 DBADRM Cn1cc(CC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001375298466 989538109 /nfs/dbraw/zinc/53/81/09/989538109.db2.gz VODVAPPTHOBANF-JTQLQIEISA-N -1 0 305.342 -0.823 20 0 DBADRM C[C@](CNC(=O)c1n[nH]c(=O)[n-]c1=O)(NC(=O)C1CC1)C1CC1 ZINC001375318337 989551215 /nfs/dbraw/zinc/55/12/15/989551215.db2.gz CFVIOEUNNCSEIA-CQSZACIVSA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1C/C=C\Cl ZINC001375365815 989575340 /nfs/dbraw/zinc/57/53/40/989575340.db2.gz HQVZSUGRISRHFL-XKKRXVNHSA-N -1 0 301.734 -0.368 20 0 DBADRM Cc1cc(CN2CC[C@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001375363733 989576538 /nfs/dbraw/zinc/57/65/38/989576538.db2.gz ASLFPMBJXOHAQK-JTQLQIEISA-N -1 0 322.325 -0.624 20 0 DBADRM CC[C@H](F)CN1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001375369823 989578692 /nfs/dbraw/zinc/57/86/92/989578692.db2.gz UPHLCQYAFJUDJN-IUCAKERBSA-N -1 0 301.322 -0.372 20 0 DBADRM CC[C@@H](F)CN1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001375369820 989579395 /nfs/dbraw/zinc/57/93/95/989579395.db2.gz UPHLCQYAFJUDJN-BDAKNGLRSA-N -1 0 301.322 -0.372 20 0 DBADRM C[C@H](C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1)n1cncn1 ZINC001375413851 989592603 /nfs/dbraw/zinc/59/26/03/989592603.db2.gz PMTSCSVDWLCXCX-MRVPVSSYSA-N -1 0 306.330 -0.899 20 0 DBADRM CC(=O)NC[C@@]1(C)CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001537168175 1015490081 /nfs/dbraw/zinc/49/00/81/1015490081.db2.gz XPEAUVFBBNLPTN-OAHLLOKOSA-N -1 0 322.365 -0.136 20 0 DBADRM C[C@@H](CNC(=O)C1=CCCC1)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001375679469 989740673 /nfs/dbraw/zinc/74/06/73/989740673.db2.gz DUTCEPCHLRWAMO-QMMMGPOBSA-N -1 0 321.337 -0.125 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)[C@H]1C[C@@H]1C ZINC001375754828 989791505 /nfs/dbraw/zinc/79/15/05/989791505.db2.gz RHFCPTHMCCZNAL-CSMHCCOUSA-N -1 0 309.326 -0.579 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001376100041 989880669 /nfs/dbraw/zinc/88/06/69/989880669.db2.gz QWCBVIXGDFTGJP-QWRGUYRKSA-N -1 0 308.386 -0.600 20 0 DBADRM O=C(CCc1ccncn1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376126233 989895009 /nfs/dbraw/zinc/89/50/09/989895009.db2.gz OXIBAJJUVSSGLN-NSHDSACASA-N -1 0 317.353 -0.376 20 0 DBADRM CC1(C)C(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)C1(C)C ZINC001376149346 989913260 /nfs/dbraw/zinc/91/32/60/989913260.db2.gz APWTWDHJGMUAEH-UHFFFAOYSA-N -1 0 323.397 -0.145 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3cscn3)C2)c1[O-] ZINC001376167830 989929191 /nfs/dbraw/zinc/92/91/91/989929191.db2.gz OCDICQHHENVDTM-UHFFFAOYSA-N -1 0 323.378 -0.143 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C[C@@H]3CCOC3)C2)c1[O-] ZINC001376168784 989929571 /nfs/dbraw/zinc/92/95/71/989929571.db2.gz QCBKDVSKQZOZKL-JTQLQIEISA-N -1 0 310.354 -0.763 20 0 DBADRM O=C(C(=O)N1CCO[C@H](c2nnn[n-]2)C1)c1ccc(O)cc1 ZINC001542946128 1015533767 /nfs/dbraw/zinc/53/37/67/1015533767.db2.gz IIUGFUWRIKMFGL-JTQLQIEISA-N -1 0 303.278 -0.312 20 0 DBADRM COCCOc1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cn1 ZINC001543018005 1015536364 /nfs/dbraw/zinc/53/63/64/1015536364.db2.gz PBZUXDPHSUIVEE-UHFFFAOYSA-N -1 0 321.293 -0.367 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001376515049 990136175 /nfs/dbraw/zinc/13/61/75/990136175.db2.gz PGOAMBXQCSVNJR-NSHDSACASA-N -1 0 324.385 -0.683 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001376546615 990172961 /nfs/dbraw/zinc/17/29/61/990172961.db2.gz QKCMCJMXPUCASA-CBAPKCEASA-N -1 0 314.342 -0.944 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N[C@@H](C)c1ncccn1 ZINC001491655336 1015546625 /nfs/dbraw/zinc/54/66/25/1015546625.db2.gz VMDTZXXYVNBPDO-BDAKNGLRSA-N -1 0 321.341 -0.665 20 0 DBADRM CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001376637567 990239770 /nfs/dbraw/zinc/23/97/70/990239770.db2.gz UJPZCAWTBAINGL-VHSXEESVSA-N -1 0 313.358 -0.748 20 0 DBADRM CCCC(=O)N[C@H](C)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001376709952 990280755 /nfs/dbraw/zinc/28/07/55/990280755.db2.gz GGVLAJMCJVAAJQ-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM O=C(C=C1CCC1)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001491659043 1015551768 /nfs/dbraw/zinc/55/17/68/1015551768.db2.gz DPTUBNKCBKJVAL-UHFFFAOYSA-N -1 0 307.310 -0.371 20 0 DBADRM COc1cccc2c(C(=O)[N-]N3CC(=O)N(C)C3=O)cnn21 ZINC001545869847 1015552906 /nfs/dbraw/zinc/55/29/06/1015552906.db2.gz ZVQYZGXJCQJSPF-UHFFFAOYSA-N -1 0 303.278 -0.118 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCCC(=O)NC1CC1 ZINC001546256561 1015555647 /nfs/dbraw/zinc/55/56/47/1015555647.db2.gz CBOAYEGWIMEBRK-UHFFFAOYSA-N -1 0 311.342 -0.356 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2nnn(C)c2C)c1[O-] ZINC001376823299 990334018 /nfs/dbraw/zinc/33/40/18/990334018.db2.gz FQMWGHLDGPLHFC-ZCFIWIBFSA-N -1 0 321.341 -0.591 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccn(Cc2ccncc2)n1 ZINC001546253552 1015556437 /nfs/dbraw/zinc/55/64/37/1015556437.db2.gz WTKPAQDQDXZRKF-UHFFFAOYSA-N -1 0 315.293 -0.032 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)Cc2ccn(C)n2)c1[O-] ZINC001376925627 990388262 /nfs/dbraw/zinc/38/82/62/990388262.db2.gz FSCLYPFZPMVSTB-MRVPVSSYSA-N -1 0 320.353 -0.366 20 0 DBADRM CN(CCCN(C)C(=O)c1cn[nH]c(=O)c1)Cc1n[nH]c(=O)[n-]1 ZINC001376936371 990393702 /nfs/dbraw/zinc/39/37/02/990393702.db2.gz MDHSHXHZUPLPOY-UHFFFAOYSA-N -1 0 321.341 -0.400 20 0 DBADRM Cn1nccc1[C@@H]1[C@@H](N=c2nn[n-]n2C)CC(=O)N1C1CC1 ZINC001548390990 1015560581 /nfs/dbraw/zinc/56/05/81/1015560581.db2.gz WNEYMERMUMLIHO-CABZTGNLSA-N -1 0 302.342 -0.718 20 0 DBADRM CC1(C)C[C@@H]1C(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001377149512 990458358 /nfs/dbraw/zinc/45/83/58/990458358.db2.gz RRBQIIWFLSQDQN-MEBBXXQBSA-N -1 0 323.397 -0.001 20 0 DBADRM Cc1ccncc1CN(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001377248225 990500743 /nfs/dbraw/zinc/50/07/43/990500743.db2.gz PMOCZKUHAFIMTA-UHFFFAOYSA-N -1 0 320.353 -0.359 20 0 DBADRM CCN(CCNC(=O)Cc1cnn(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001377295217 990522123 /nfs/dbraw/zinc/52/21/23/990522123.db2.gz SKFGKBFBCFAAJR-UHFFFAOYSA-N -1 0 307.358 -0.575 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ncc(C)o1 ZINC001377318114 990530614 /nfs/dbraw/zinc/53/06/14/990530614.db2.gz FJIXOUXSMMYJPN-UHFFFAOYSA-N -1 0 322.325 -0.169 20 0 DBADRM C[C@@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)C1CCC1 ZINC001377403382 990575763 /nfs/dbraw/zinc/57/57/63/990575763.db2.gz QYVULEDZQSVOKU-QMMMGPOBSA-N -1 0 323.353 -0.364 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001377431673 990590836 /nfs/dbraw/zinc/59/08/36/990590836.db2.gz NCGKAHRYUBKBGX-XPUUQOCRSA-N -1 0 311.342 -0.817 20 0 DBADRM O=C(CCn1cncn1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001377438657 990599569 /nfs/dbraw/zinc/59/95/69/990599569.db2.gz RUUJKZZVLPLPEB-JTQLQIEISA-N -1 0 320.357 -0.870 20 0 DBADRM CCCN(CCNC(=O)c1ccnnc1)Cc1n[nH]c(=O)[n-]1 ZINC001377495822 990630065 /nfs/dbraw/zinc/63/00/65/990630065.db2.gz IBPBASKOZADIGS-UHFFFAOYSA-N -1 0 305.342 -0.058 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1CC(C)C1 ZINC001377524742 990640458 /nfs/dbraw/zinc/64/04/58/990640458.db2.gz KPKBZPAONINPMV-KYHHOPLUSA-N -1 0 322.365 -0.234 20 0 DBADRM CC[C@H](C)C(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001377546368 990647827 /nfs/dbraw/zinc/64/78/27/990647827.db2.gz BNFUBKDIQZYGFG-JTQLQIEISA-N -1 0 311.386 -0.001 20 0 DBADRM COCCN1C(=O)N[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])CC[C@H]21 ZINC001548509157 1015579554 /nfs/dbraw/zinc/57/95/54/1015579554.db2.gz UCCHILGBOIGEAM-VHSXEESVSA-N -1 0 323.353 -0.322 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)c1[O-] ZINC001548531176 1015582798 /nfs/dbraw/zinc/58/27/98/1015582798.db2.gz JHOBBGCELRZVIW-PELKAZGASA-N -1 0 318.337 -0.141 20 0 DBADRM Cn1ccnc1CCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001377906984 990787003 /nfs/dbraw/zinc/78/70/03/990787003.db2.gz RWKRHWMRZLHNHJ-UHFFFAOYSA-N -1 0 305.342 -0.823 20 0 DBADRM COc1cnc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)nc1 ZINC001378092396 990853214 /nfs/dbraw/zinc/85/32/14/990853214.db2.gz IWVUHVJDRXVQDM-QMMMGPOBSA-N -1 0 321.341 -0.441 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001378226138 990887766 /nfs/dbraw/zinc/88/77/66/990887766.db2.gz BAJXOXQYBPHAHC-GXSJLCMTSA-N -1 0 324.385 -0.542 20 0 DBADRM CC(C)(C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001378320596 990929859 /nfs/dbraw/zinc/92/98/59/990929859.db2.gz JVHMNGOIZLYIEI-UHFFFAOYSA-N -1 0 323.397 -0.001 20 0 DBADRM Cc1cncn1CC(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378532413 991019547 /nfs/dbraw/zinc/01/95/47/991019547.db2.gz GRCAJDGYCIAISU-SNVBAGLBSA-N -1 0 319.369 -0.348 20 0 DBADRM CC[C@H](OC)C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001378682837 991110832 /nfs/dbraw/zinc/11/08/32/991110832.db2.gz FNXLTJNAAWMQBA-MMWGEVLESA-N -1 0 309.370 -0.271 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001378722768 991128672 /nfs/dbraw/zinc/12/86/72/991128672.db2.gz DSQLYBCPLJGIBJ-SSDOTTSWSA-N -1 0 321.337 -0.293 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N1CCO[C@@H](CC(=O)[O-])C1)C(C)=O ZINC001596527474 1017158256 /nfs/dbraw/zinc/15/82/56/1017158256.db2.gz ZQQIDDSRGSVEAI-QWRGUYRKSA-N -1 0 315.322 -0.153 20 0 DBADRM Cc1ccccc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001379354747 991571678 /nfs/dbraw/zinc/57/16/78/991571678.db2.gz DYDWDDKNAFFQGZ-JTQLQIEISA-N -1 0 305.338 -0.301 20 0 DBADRM Cc1cc(F)ccc1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001379503767 991741024 /nfs/dbraw/zinc/74/10/24/991741024.db2.gz ITFJWCFTYMMIFW-JTQLQIEISA-N -1 0 323.328 -0.162 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1cncnc1 ZINC001379717583 991861357 /nfs/dbraw/zinc/86/13/57/991861357.db2.gz WMLGPEAQQZBPAS-JTQLQIEISA-N -1 0 319.369 -0.130 20 0 DBADRM CC(=O)N1CC[C@@H](N(C)C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001491905367 1015665318 /nfs/dbraw/zinc/66/53/18/1015665318.db2.gz UUYWLIROWFLEIX-SNVBAGLBSA-N -1 0 311.342 -0.451 20 0 DBADRM COc1nc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)co1 ZINC001379712158 991862095 /nfs/dbraw/zinc/86/20/95/991862095.db2.gz NGZXAAYBCIKJQW-ZETCQYMHSA-N -1 0 310.314 -0.243 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001379731128 991868939 /nfs/dbraw/zinc/86/89/39/991868939.db2.gz BSPAMGFZARIVBS-WPRPVWTQSA-N -1 0 312.374 -0.639 20 0 DBADRM CC(=O)N1CC[C@H](N(C)C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001491905366 1015666842 /nfs/dbraw/zinc/66/68/42/1015666842.db2.gz UUYWLIROWFLEIX-JTQLQIEISA-N -1 0 311.342 -0.451 20 0 DBADRM O=C([C@H]1OCCO[C@H]1C(F)(F)F)N1CC[C@H](c2nnn[n-]2)C1 ZINC001548761949 1015670747 /nfs/dbraw/zinc/67/07/47/1015670747.db2.gz KLTFLDLVESSZIG-BIIVOSGPSA-N -1 0 321.259 -0.138 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001379917551 992029579 /nfs/dbraw/zinc/02/95/79/992029579.db2.gz VMDDHBVEDKBSON-MEWQQHAOSA-N -1 0 323.397 -0.193 20 0 DBADRM CCOC(=O)[C@H]1CN([C@@H](C)C(=O)NCC(=O)[O-])CC12COC2 ZINC001596586003 1017160044 /nfs/dbraw/zinc/16/00/44/1017160044.db2.gz WHDJZUIQYYCPKV-VHSXEESVSA-N -1 0 314.338 -0.913 20 0 DBADRM CCOC(=O)C1CCN(C(=O)CN[C@](C)(CO)C(=O)[O-])CC1 ZINC001596576411 1017160109 /nfs/dbraw/zinc/16/01/09/1017160109.db2.gz KYSQPRITLJHQFZ-CQSZACIVSA-N -1 0 316.354 -0.787 20 0 DBADRM COc1cc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)ncn1 ZINC001380082072 992128063 /nfs/dbraw/zinc/12/80/63/992128063.db2.gz VHAATRKVPPTBCR-UHFFFAOYSA-N -1 0 319.325 -0.639 20 0 DBADRM COCCN(CCNC(=O)c1nocc1C)Cc1n[nH]c(=O)[n-]1 ZINC001380111576 992152463 /nfs/dbraw/zinc/15/24/63/992152463.db2.gz KWWMRDBJURYVGF-UHFFFAOYSA-N -1 0 324.341 -0.315 20 0 DBADRM Cc1ccnn1CC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001380134697 992165446 /nfs/dbraw/zinc/16/54/46/992165446.db2.gz CAJIOCCOCFVVSZ-UHFFFAOYSA-N -1 0 305.342 -0.546 20 0 DBADRM Cn1nccc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001549040484 1015693437 /nfs/dbraw/zinc/69/34/37/1015693437.db2.gz ROLWEEHQDOCMGA-KZFFXBSXSA-N -1 0 306.322 -0.423 20 0 DBADRM Cn1nccc1[C@@H]1[C@@H](NC(=O)C2(C(=O)[O-])CC2)CC(=O)N1C ZINC001549076365 1015703373 /nfs/dbraw/zinc/70/33/73/1015703373.db2.gz HPRSPLWYRNKYQY-KWQFWETISA-N -1 0 306.322 -0.327 20 0 DBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCOCC2)C[C@@H]1C1CC1 ZINC001549086558 1015703518 /nfs/dbraw/zinc/70/35/18/1015703518.db2.gz LDRVGAZEGWDQLV-GHMZBOCLSA-N -1 0 304.368 -0.394 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)NC(=O)C1(C)CC1 ZINC001380476429 992327366 /nfs/dbraw/zinc/32/73/66/992327366.db2.gz RGQLAKQUDJOUKH-SFYZADRCSA-N -1 0 311.342 -0.501 20 0 DBADRM Cc1ccc(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)s1 ZINC001380575210 992407158 /nfs/dbraw/zinc/40/71/58/992407158.db2.gz ZONFSZQUXYBUNQ-UHFFFAOYSA-N -1 0 323.378 -0.143 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)C1(CF)CCC1 ZINC001380624634 992444960 /nfs/dbraw/zinc/44/49/60/992444960.db2.gz NTNOGZLAAVQIEX-UHFFFAOYSA-N -1 0 313.333 -0.687 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001549218690 1015709919 /nfs/dbraw/zinc/70/99/19/1015709919.db2.gz CNTRJWCQKRBJNH-JOYOIKCWSA-N -1 0 305.352 -0.631 20 0 DBADRM NC(=O)c1ccc(C(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC001549218521 1015710011 /nfs/dbraw/zinc/71/00/11/1015710011.db2.gz BNNQYISXXZKMAA-LKFCYVNXSA-N -1 0 305.290 -0.646 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001549180605 1015711128 /nfs/dbraw/zinc/71/11/28/1015711128.db2.gz GFBFVOXWNKIMEY-MDZLAQPJSA-N -1 0 318.395 -0.004 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549227417 1015712069 /nfs/dbraw/zinc/71/20/69/1015712069.db2.gz CJEDSKXYPZFYBI-ABAIWWIYSA-N -1 0 323.349 -0.025 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC001549219621 1015712330 /nfs/dbraw/zinc/71/23/30/1015712330.db2.gz CEHKMWPAHNSVNX-ZUZCIYMTSA-N -1 0 319.317 -0.386 20 0 DBADRM CO[C@H](C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)c1cnn(C)c1 ZINC001549227301 1015712469 /nfs/dbraw/zinc/71/24/69/1015712469.db2.gz APEYYOASHCKNPP-MJVIPROJSA-N -1 0 309.322 -0.333 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CN1CCCCCC1=O)C2 ZINC001549227365 1015712594 /nfs/dbraw/zinc/71/25/94/1015712594.db2.gz APLYWXXPOMEBBA-NHYWBVRUSA-N -1 0 310.350 -0.051 20 0 DBADRM NC(=O)c1ccc(C(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)nc1 ZINC001549220242 1015712743 /nfs/dbraw/zinc/71/27/43/1015712743.db2.gz HQCFQWDUKULNMZ-LKFCYVNXSA-N -1 0 305.290 -0.646 20 0 DBADRM CCn1nc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)ccc1=O ZINC001549223832 1015712893 /nfs/dbraw/zinc/71/28/93/1015712893.db2.gz PMPYDJKPXFQIMU-XPTSAGLGSA-N -1 0 307.306 -0.564 20 0 DBADRM NC(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)c1 ZINC001549225145 1015712930 /nfs/dbraw/zinc/71/29/30/1015712930.db2.gz SFYYZTSPJLENHB-ABAIWWIYSA-N -1 0 304.302 -0.041 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 ZINC001549224515 1015713390 /nfs/dbraw/zinc/71/33/90/1015713390.db2.gz RAGCFXJMRSFQBZ-LKFCYVNXSA-N -1 0 302.290 -0.098 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001380843236 992557589 /nfs/dbraw/zinc/55/75/89/992557589.db2.gz ZDDNZHDUBPCIGI-DJLDLDEBSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NCc3nnn(C)n3)CCC2)c1[O-] ZINC001380857599 992563937 /nfs/dbraw/zinc/56/39/37/992563937.db2.gz MLNCKWHXKVPUIX-UHFFFAOYSA-N -1 0 320.357 -0.610 20 0 DBADRM C[C@@H](CNC(=O)CCCF)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001380869374 992567757 /nfs/dbraw/zinc/56/77/57/992567757.db2.gz XNKUDNRTFBXLFO-ZETCQYMHSA-N -1 0 315.305 -0.391 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN[C@@](CC)(COC)C(=O)[O-] ZINC001596616215 1017162589 /nfs/dbraw/zinc/16/25/89/1017162589.db2.gz UAHPWHMEZQYNFQ-ZDUSSCGKSA-N -1 0 304.343 -0.523 20 0 DBADRM Cn1ncc2c1nc(N1C[C@@H]3COC[C@@]3(C(=O)[O-])C1)nc2N ZINC001549298572 1015718332 /nfs/dbraw/zinc/71/83/32/1015718332.db2.gz KMAALCVVVRFTLU-UHLUBPPHSA-N -1 0 304.310 -0.517 20 0 DBADRM Nc1c(-n2cccn2)ncnc1N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549299462 1015718523 /nfs/dbraw/zinc/71/85/23/1015718523.db2.gz QBVSJMUOOFYCHL-XPTSAGLGSA-N -1 0 316.321 -0.218 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(c1nccc(N3CCOCC3)n1)C2 ZINC001549299434 1015718615 /nfs/dbraw/zinc/71/86/15/1015718615.db2.gz PGGGGHPTTKVVRM-XHDPSFHLSA-N -1 0 320.349 -0.149 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(c1ccnc(N3CCOCC3)n1)C2 ZINC001549298546 1015719223 /nfs/dbraw/zinc/71/92/23/1015719223.db2.gz KDJOVPCMCUBMRV-ABAIWWIYSA-N -1 0 320.349 -0.149 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001549307001 1015722158 /nfs/dbraw/zinc/72/21/58/1015722158.db2.gz YLJSBKMDEBZWQC-RBZYPMLTSA-N -1 0 311.338 -0.663 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CCO)(NC(=O)C3CCC3)C2)c1[O-] ZINC001380948766 992603910 /nfs/dbraw/zinc/60/39/10/992603910.db2.gz RRYOGVPPPBBGQM-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM Cc1nnc(CC(=O)N(C)CCCN(C)Cc2n[nH]c(=O)[n-]2)o1 ZINC001380957310 992608121 /nfs/dbraw/zinc/60/81/21/992608121.db2.gz REUGYXRNLHGYPU-UHFFFAOYSA-N -1 0 323.357 -0.275 20 0 DBADRM Cc1cnc2nc(C(=O)N3C[C@H]4COC[C@]4(C(=O)[O-])C3)nn2c1 ZINC001549306016 1015721463 /nfs/dbraw/zinc/72/14/63/1015721463.db2.gz NVUMYWFXWGDSRK-LKFCYVNXSA-N -1 0 317.305 -0.394 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)c1C ZINC001549306850 1015721682 /nfs/dbraw/zinc/72/16/82/1015721682.db2.gz WEKQQHVECAZXOD-BMIGLBTASA-N -1 0 321.333 -0.430 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1ccnc3c1CC(=O)N3)C2 ZINC001549306181 1015721861 /nfs/dbraw/zinc/72/18/61/1015721861.db2.gz QFXBEDMMNFEJJZ-AYVTZFPOSA-N -1 0 317.301 -0.251 20 0 DBADRM CC(=O)N(C)CC[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)C ZINC001381017909 992632943 /nfs/dbraw/zinc/63/29/43/992632943.db2.gz GCNWSXIAKOOOPN-VIFPVBQESA-N -1 0 311.342 -0.094 20 0 DBADRM Cc1ccnc2nc(C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)nn21 ZINC001549306828 1015722719 /nfs/dbraw/zinc/72/27/19/1015722719.db2.gz VRMNQTHKRPTUOD-XPTSAGLGSA-N -1 0 317.305 -0.394 20 0 DBADRM CCOC(=O)CN(C)C(=O)COC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001596616409 1017162697 /nfs/dbraw/zinc/16/26/97/1017162697.db2.gz ZSTLZRIXFHMQSH-UHFFFAOYSA-N -1 0 313.306 -0.194 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(CC(=O)N3CCC3)CC2)c1[O-] ZINC001381090913 992659149 /nfs/dbraw/zinc/65/91/49/992659149.db2.gz NPAODCOKUVCOIO-UHFFFAOYSA-N -1 0 307.354 -0.586 20 0 DBADRM C[C@@H](CNC(=O)CCc1nnc[nH]1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381502386 992818195 /nfs/dbraw/zinc/81/81/95/992818195.db2.gz DWCXLEXWJOVHPT-QMMMGPOBSA-N -1 0 308.346 -0.802 20 0 DBADRM CCn1nncc1C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381517663 992823428 /nfs/dbraw/zinc/82/34/28/992823428.db2.gz SKMVIQROINYIHX-QMMMGPOBSA-N -1 0 308.346 -0.628 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1ccon1 ZINC001381548361 992835759 /nfs/dbraw/zinc/83/57/59/992835759.db2.gz BQANTNVOLZABHE-ZETCQYMHSA-N -1 0 308.298 -0.479 20 0 DBADRM CC1(C)C[C@H]1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381658487 992860904 /nfs/dbraw/zinc/86/09/04/992860904.db2.gz ZQKRKOMFZMPABR-VIFPVBQESA-N -1 0 309.370 -0.391 20 0 DBADRM CC1(C)CC[C@@H]1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381680353 992866325 /nfs/dbraw/zinc/86/63/25/992866325.db2.gz FEUHBGMDSKYYEU-SNVBAGLBSA-N -1 0 323.397 -0.001 20 0 DBADRM Cc1cnn(CC(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001381795901 992883290 /nfs/dbraw/zinc/88/32/90/992883290.db2.gz YTIQYXOOGSAJPQ-SNVBAGLBSA-N -1 0 319.369 -0.348 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(Cc2ccon2)C1 ZINC001381805940 992886977 /nfs/dbraw/zinc/88/69/77/992886977.db2.gz OXMCGWLCWKRGPK-MRVPVSSYSA-N -1 0 322.325 -0.686 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC001596595342 1017162867 /nfs/dbraw/zinc/16/28/67/1017162867.db2.gz SVGCKDFCIPZJMG-IUCAKERBSA-N -1 0 305.352 -0.281 20 0 DBADRM CCOC(=O)CCc1cc(N2CC(O)(C(=O)[O-])C2)nc(C)n1 ZINC001596613448 1017162871 /nfs/dbraw/zinc/16/28/71/1017162871.db2.gz BYFVASXJKHSSKU-UHFFFAOYSA-N -1 0 309.322 -0.084 20 0 DBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)CCCF ZINC001382141545 993004047 /nfs/dbraw/zinc/00/40/47/993004047.db2.gz PNQFDGMOWPDEOZ-QMMMGPOBSA-N -1 0 317.321 -0.598 20 0 DBADRM CC(C)SCC(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001382178851 993021639 /nfs/dbraw/zinc/02/16/39/993021639.db2.gz PNGVBLSHJWMAOB-QMMMGPOBSA-N -1 0 303.388 -0.781 20 0 DBADRM Cc1ncsc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001382191662 993035686 /nfs/dbraw/zinc/03/56/86/993035686.db2.gz YKOSSVBUVXAHHU-SSDOTTSWSA-N -1 0 312.355 -0.844 20 0 DBADRM CCc1cnc(CN[C@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001382198329 993043981 /nfs/dbraw/zinc/04/39/81/993043981.db2.gz KXIPMHNVXDTOJC-VIFPVBQESA-N -1 0 323.353 -0.145 20 0 DBADRM CCC(=O)NC[C@H](CO)NC(=O)c1n[n-]c2ccccc2c1=O ZINC001382262387 993103617 /nfs/dbraw/zinc/10/36/17/993103617.db2.gz GXJKOOPZXIOJBA-SECBINFHSA-N -1 0 318.333 -0.048 20 0 DBADRM CCO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)c1[nH]nc(C)c1[O-] ZINC001382342034 993162126 /nfs/dbraw/zinc/16/21/26/993162126.db2.gz XPJLPTICHXQSBS-DTWKUNHWSA-N -1 0 314.342 -0.944 20 0 DBADRM CC[C@H](OC)C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001382442705 993260716 /nfs/dbraw/zinc/26/07/16/993260716.db2.gz CCOWRRGLHNHMIQ-ZJUUUORDSA-N -1 0 315.374 -0.814 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN(C)C(=O)CC2CC2)c1[O-] ZINC001382902116 993440985 /nfs/dbraw/zinc/44/09/85/993440985.db2.gz UIQXKWHJRXJNKR-JTQLQIEISA-N -1 0 310.354 -0.227 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001382966396 993474429 /nfs/dbraw/zinc/47/44/29/993474429.db2.gz PHKFPWYEFQFWGM-IUCAKERBSA-N -1 0 314.342 -0.992 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001382966387 993475212 /nfs/dbraw/zinc/47/52/12/993475212.db2.gz PHKFPWYEFQFWGM-DTWKUNHWSA-N -1 0 314.342 -0.992 20 0 DBADRM CC(=O)N(C)[C@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001383080821 993529223 /nfs/dbraw/zinc/52/92/23/993529223.db2.gz TZRBQEJZHLXPQO-MRVPVSSYSA-N -1 0 306.326 -0.946 20 0 DBADRM C[C@H](NC(=O)C1(C)CC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001383296508 993605551 /nfs/dbraw/zinc/60/55/51/993605551.db2.gz YBJDTHMBUWWAPH-ZETCQYMHSA-N -1 0 321.337 -0.340 20 0 DBADRM CCOC(=O)CNC(=O)[C@H]1COCCN1CC1(C(=O)[O-])CC1 ZINC001596624687 1017165483 /nfs/dbraw/zinc/16/54/83/1017165483.db2.gz POCDYVVRGWWTAU-SNVBAGLBSA-N -1 0 314.338 -0.769 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC[C@@H]1C ZINC001383483964 993664778 /nfs/dbraw/zinc/66/47/78/993664778.db2.gz CORVNTGLFATTAB-WCBMZHEXSA-N -1 0 323.353 -0.269 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC[C@@H]1C ZINC001383483965 993665539 /nfs/dbraw/zinc/66/55/39/993665539.db2.gz CORVNTGLFATTAB-WPRPVWTQSA-N -1 0 323.353 -0.269 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001383498007 993667448 /nfs/dbraw/zinc/66/74/48/993667448.db2.gz QCDZOEBPZGXQGJ-ZYUZMQFOSA-N -1 0 323.353 -0.644 20 0 DBADRM C[C@@H](CN(C)C(=O)C1=CCCC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001383697194 993718532 /nfs/dbraw/zinc/71/85/32/993718532.db2.gz SUGXXBUFRDYJMS-VIFPVBQESA-N -1 0 323.353 -0.237 20 0 DBADRM CC(=O)N[C@@H](C)CN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001383795419 993749173 /nfs/dbraw/zinc/74/91/73/993749173.db2.gz WEZQNJQWHYLOGX-QMMMGPOBSA-N -1 0 306.326 -0.946 20 0 DBADRM CC(=O)NCCC1(CNC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001383836585 993759093 /nfs/dbraw/zinc/75/90/93/993759093.db2.gz LGZJVMZCDPHFRE-UHFFFAOYSA-N -1 0 308.338 -0.478 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)C2=COCCC2)c1[O-] ZINC001383880251 993803185 /nfs/dbraw/zinc/80/31/85/993803185.db2.gz RNLVOTYILGSOHE-SNVBAGLBSA-N -1 0 324.337 -0.675 20 0 DBADRM C[C@H]1CN(C(=O)c2c[n-]ncc2=O)C[C@@H]1C(=O)N1CCOCC1 ZINC001550832824 1015814398 /nfs/dbraw/zinc/81/43/98/1015814398.db2.gz OSXXARBDNRIMJW-JQWIXIFHSA-N -1 0 320.349 -0.251 20 0 DBADRM Cc1noc(CCCC(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001492853329 1015817970 /nfs/dbraw/zinc/81/79/70/1015817970.db2.gz FIBOVRPWVKMUCH-UHFFFAOYSA-N -1 0 323.357 -0.227 20 0 DBADRM CC(=O)N1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001384089015 993955577 /nfs/dbraw/zinc/95/55/77/993955577.db2.gz VYNBYPQVJHKPNQ-SCZZXKLOSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(=O)N(C)C[C@H](O)CNC(=O)c1n[n-]c2ccccc2c1=O ZINC001384160509 993973249 /nfs/dbraw/zinc/97/32/49/993973249.db2.gz ZXXYOLHKSZXDHX-SNVBAGLBSA-N -1 0 318.333 -0.096 20 0 DBADRM CCC(=O)NC[C@H]1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001384169670 993978258 /nfs/dbraw/zinc/97/82/58/993978258.db2.gz FBSGEGSZANKFTJ-YUMQZZPRSA-N -1 0 309.326 -0.293 20 0 DBADRM CNC(=O)[C@@]12CN(C(=O)c3cc(=O)n(C)[n-]3)C[C@H]1COCC2 ZINC001551440912 1015825583 /nfs/dbraw/zinc/82/55/83/1015825583.db2.gz HUEKKKZWLXNXLU-XPTSAGLGSA-N -1 0 308.338 -0.650 20 0 DBADRM CNC(=O)[C@]12CN(C(=O)c3cc(=O)n(C)[n-]3)C[C@H]1COCC2 ZINC001551440910 1015825853 /nfs/dbraw/zinc/82/58/53/1015825853.db2.gz HUEKKKZWLXNXLU-LKFCYVNXSA-N -1 0 308.338 -0.650 20 0 DBADRM CCC[C@H](CC)C(=O)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001384236437 994048581 /nfs/dbraw/zinc/04/85/81/994048581.db2.gz WYJAIYGODGYKKR-WCQGTBRESA-N -1 0 309.370 -0.068 20 0 DBADRM CCC[C@@H](CC)C(=O)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001384236435 994049605 /nfs/dbraw/zinc/04/96/05/994049605.db2.gz WYJAIYGODGYKKR-JLLWLGSASA-N -1 0 309.370 -0.068 20 0 DBADRM CCC(=O)N(C)C[C@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001384313679 994089121 /nfs/dbraw/zinc/08/91/21/994089121.db2.gz IWGCPGWRAJOKLU-SECBINFHSA-N -1 0 308.338 -0.431 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)[C@H](O)C(C)C)c1[O-] ZINC001400409605 994128651 /nfs/dbraw/zinc/12/86/51/994128651.db2.gz ZCEHLZURWFGFMS-MWLCHTKSSA-N -1 0 310.354 -0.229 20 0 DBADRM O=C(CC1CC1)NC[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001384438552 994139325 /nfs/dbraw/zinc/13/93/25/994139325.db2.gz ONTQIGXKQGZMTF-AOOOYVTPSA-N -1 0 323.353 -0.500 20 0 DBADRM CCOC(=O)c1cc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])cn1C ZINC001596712843 1017168255 /nfs/dbraw/zinc/16/82/55/1017168255.db2.gz ZPICKEAIAQQLGM-QMMMGPOBSA-N -1 0 322.314 -0.097 20 0 DBADRM CC(C)C(=O)N[C@@H](C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001384520217 994171212 /nfs/dbraw/zinc/17/12/12/994171212.db2.gz LMSLZAOQRFUZAZ-YUMQZZPRSA-N -1 0 311.342 -0.048 20 0 DBADRM CC1CC(C(=O)N2CC[C@H]2CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001400478674 994176492 /nfs/dbraw/zinc/17/64/92/994176492.db2.gz NFWFYRZELJCFIV-RTBKNWGFSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC1CN(CCF)C1 ZINC001400531253 994212294 /nfs/dbraw/zinc/21/22/94/994212294.db2.gz NBRGOMQRZGEFNH-UHFFFAOYSA-N -1 0 308.317 -0.911 20 0 DBADRM CCC1(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2O)CC1 ZINC001384740635 994241395 /nfs/dbraw/zinc/24/13/95/994241395.db2.gz ZKONQXMUBIJYNR-NXEZZACHSA-N -1 0 322.365 -0.085 20 0 DBADRM CCC(=O)N[C@@H]1CC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001385000147 994335705 /nfs/dbraw/zinc/33/57/05/994335705.db2.gz CEQUDQWTDAUOKP-DTWKUNHWSA-N -1 0 311.342 -0.500 20 0 DBADRM CC(C)C(=O)NCCNC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552403175 1015857663 /nfs/dbraw/zinc/85/76/63/1015857663.db2.gz PZLOUGAPYRXTOS-YGRLFVJLSA-N -1 0 313.354 -0.499 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)NC[C@H]1CCCNC1=O)C2 ZINC001552399824 1015857743 /nfs/dbraw/zinc/85/77/43/1015857743.db2.gz RQVNMGDPWFAIOY-ISTVAULSSA-N -1 0 311.338 -0.745 20 0 DBADRM CCn1cc(CNC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)nn1 ZINC001552398370 1015857848 /nfs/dbraw/zinc/85/78/48/1015857848.db2.gz IXMWZBLQBZAFBH-TVQRCGJNSA-N -1 0 309.326 -0.459 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)N[C@@H]1CCCn3ncnc31)C2 ZINC001552402715 1015857952 /nfs/dbraw/zinc/85/79/52/1015857952.db2.gz LBGNLNFQNTZTGY-RULNRJAQSA-N -1 0 321.337 -0.144 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552398197 1015857962 /nfs/dbraw/zinc/85/79/62/1015857962.db2.gz GJFCRTHASIGQOA-NRUUGDAUSA-N -1 0 309.326 -0.591 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCCN1CCCC1=O)C2 ZINC001552397372 1015857979 /nfs/dbraw/zinc/85/79/79/1015857979.db2.gz FNXWTHKMTCGHKN-HZMBPMFUSA-N -1 0 311.338 -0.649 20 0 DBADRM CCc1nc(CCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)no1 ZINC001552404634 1015858043 /nfs/dbraw/zinc/85/80/43/1015858043.db2.gz WGNYZNZXAJCWKY-XPTSAGLGSA-N -1 0 324.337 -0.083 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)NC[C@H]1CCCNC1=O)C2 ZINC001552399825 1015858053 /nfs/dbraw/zinc/85/80/53/1015858053.db2.gz RQVNMGDPWFAIOY-RULNRJAQSA-N -1 0 311.338 -0.745 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001385197300 994404041 /nfs/dbraw/zinc/40/40/41/994404041.db2.gz PVALAAWVVFXRLS-DTWKUNHWSA-N -1 0 311.342 -0.548 20 0 DBADRM CCCCC(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001385293085 994439009 /nfs/dbraw/zinc/43/90/09/994439009.db2.gz JQJSIQWHSCPLRK-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM CC(=O)N1CCC(CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001385460411 994497857 /nfs/dbraw/zinc/49/78/57/994497857.db2.gz MCXVHHGEMRFADT-UHFFFAOYSA-N -1 0 323.353 -0.410 20 0 DBADRM CC(C)CC(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001493202601 1015867645 /nfs/dbraw/zinc/86/76/45/1015867645.db2.gz NRTLYIOAWZPNCO-JTQLQIEISA-N -1 0 322.365 -0.137 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001385538804 994519534 /nfs/dbraw/zinc/51/95/34/994519534.db2.gz QTTFXDKKJBFOQT-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM COC[C@@H](OC)C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001493236980 1015874441 /nfs/dbraw/zinc/87/44/41/1015874441.db2.gz OQWRSKQKRSFNMV-VHSXEESVSA-N -1 0 313.358 -0.890 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@H](O)C(C)C)C2)c1[O-] ZINC001385840705 994650845 /nfs/dbraw/zinc/65/08/45/994650845.db2.gz DHAGBAJENHAFEM-GXSJLCMTSA-N -1 0 310.354 -0.229 20 0 DBADRM O=C(COCC1CC1)NC[C@@H](NC(=O)c1cn[nH]n1)C1CC1 ZINC001385844631 994652163 /nfs/dbraw/zinc/65/21/63/994652163.db2.gz QQJZUQZIWOYEOL-LLVKDONJSA-N -1 0 307.354 -0.144 20 0 DBADRM CC1(CC(=O)N[C@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001385937783 994693182 /nfs/dbraw/zinc/69/31/82/994693182.db2.gz ANHYMYQTDLLFAI-KYZUINATSA-N -1 0 323.353 -0.357 20 0 DBADRM CC(=O)N1CCC[C@H](CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001385977068 994704714 /nfs/dbraw/zinc/70/47/14/994704714.db2.gz ODJPMRDMXLWXON-SNVBAGLBSA-N -1 0 311.342 -0.594 20 0 DBADRM CCCCC(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001385981389 994705665 /nfs/dbraw/zinc/70/56/65/994705665.db2.gz NRPACGUEZROEMJ-OCAPTIKFSA-N -1 0 309.326 -0.150 20 0 DBADRM CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001386110203 994751277 /nfs/dbraw/zinc/75/12/77/994751277.db2.gz JXSHLGNNTPETHD-GDGBQDQQSA-N -1 0 323.353 -0.548 20 0 DBADRM CCn1ncnc1CNC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001401680682 994751427 /nfs/dbraw/zinc/75/14/27/994751427.db2.gz WTKHMXJYUFLVDL-QMMMGPOBSA-N -1 0 307.358 -0.057 20 0 DBADRM CCC(CC)C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001386182698 994788558 /nfs/dbraw/zinc/78/85/58/994788558.db2.gz WAMLEUHPRFUFSB-QMMMGPOBSA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)CCS(C)(=O)=O)c1[O-] ZINC001401763419 994805441 /nfs/dbraw/zinc/80/54/41/994805441.db2.gz JUJUFNYTDZMAIX-QMMMGPOBSA-N -1 0 318.399 -0.482 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)CC2(O)CCC2)c1[O-] ZINC001386228115 994813740 /nfs/dbraw/zinc/81/37/40/994813740.db2.gz NSUXSUYXVDKQCH-MRVPVSSYSA-N -1 0 310.354 -0.037 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1COC(=O)N1)NC(=O)c1ncccc1O ZINC001386245508 994822871 /nfs/dbraw/zinc/82/28/71/994822871.db2.gz MSJPBTXDJCOSAO-SFYZADRCSA-N -1 0 308.294 -0.870 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@H]1CCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC001401859167 994831975 /nfs/dbraw/zinc/83/19/75/994831975.db2.gz CSFIOCJOXICMHO-CMPLNLGQSA-N -1 0 319.365 -0.252 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2ccn(C)n2)c1[O-] ZINC001386269019 994838309 /nfs/dbraw/zinc/83/83/09/994838309.db2.gz IYTIMHCGZOTXPJ-SSDOTTSWSA-N -1 0 306.326 -0.294 20 0 DBADRM Cc1nocc1CNC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001401981230 994876924 /nfs/dbraw/zinc/87/69/24/994876924.db2.gz PINFMFWWKIZJMJ-UHFFFAOYSA-N -1 0 322.325 -0.576 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@H]2CCC(=O)NC2)c1[O-] ZINC001386360168 994878019 /nfs/dbraw/zinc/87/80/19/994878019.db2.gz BKCWNRPEZZJDSW-CBAPKCEASA-N -1 0 323.353 -0.816 20 0 DBADRM CCC(CC)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386403806 994889126 /nfs/dbraw/zinc/88/91/26/994889126.db2.gz NUSWMRABYAJUMT-ZETCQYMHSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1=CCCC1 ZINC001386406064 994889793 /nfs/dbraw/zinc/88/97/93/994889793.db2.gz WHBNFGWUXJHUTA-SSDOTTSWSA-N -1 0 307.310 -0.372 20 0 DBADRM CC(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001386462606 994918836 /nfs/dbraw/zinc/91/88/36/994918836.db2.gz WFXPVRDXIHWDPK-MBTKJCJQSA-N -1 0 321.337 -0.485 20 0 DBADRM C[C@@]1(NC(=O)CCn2cncn2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402131305 994936500 /nfs/dbraw/zinc/93/65/00/994936500.db2.gz JJSKNKINVOGCMS-CYBMUJFWSA-N -1 0 320.357 -0.727 20 0 DBADRM COC[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001386496463 994937041 /nfs/dbraw/zinc/93/70/41/994937041.db2.gz RLVAYLFZOFYIKL-SNXWAXQRSA-N -1 0 322.365 -0.107 20 0 DBADRM CC1(C(=O)NC[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001386576211 994970522 /nfs/dbraw/zinc/97/05/22/994970522.db2.gz ZROLILPURYIIDR-MRVPVSSYSA-N -1 0 321.337 -0.339 20 0 DBADRM C[C@@H](CNC(=O)CC1CC1)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001386614913 994984817 /nfs/dbraw/zinc/98/48/17/994984817.db2.gz XTFLVRZSNSYZFI-QMMMGPOBSA-N -1 0 323.353 -0.364 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@@H](C)NC(=O)c2ncn(C)n2)c1[O-] ZINC001386668686 995011799 /nfs/dbraw/zinc/01/17/99/995011799.db2.gz SBUCCGXVNAGBIE-SSDOTTSWSA-N -1 0 321.341 -0.509 20 0 DBADRM CN1C[C@@H](C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)CC1=O ZINC001493375588 1015909448 /nfs/dbraw/zinc/90/94/48/1015909448.db2.gz KMDNIVMZYPVJIW-VIFPVBQESA-N -1 0 322.369 -0.931 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)NCCc1n[n-]c(=S)o1 ZINC001556283884 1015915529 /nfs/dbraw/zinc/91/55/29/1015915529.db2.gz JGCCGLCRSJHCHA-UHFFFAOYSA-N -1 0 322.412 -0.134 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)[N-]OC1CCOCC1 ZINC001556288943 1015915006 /nfs/dbraw/zinc/91/50/06/1015915006.db2.gz KFEZKOZBXYFEPV-LLVKDONJSA-N -1 0 315.370 -0.381 20 0 DBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)[N-]OC1CCOCC1 ZINC001556288944 1015915853 /nfs/dbraw/zinc/91/58/53/1015915853.db2.gz KFEZKOZBXYFEPV-NSHDSACASA-N -1 0 315.370 -0.381 20 0 DBADRM CC(C)CC(=O)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402442949 995139556 /nfs/dbraw/zinc/13/95/56/995139556.db2.gz OYMWKAFRIXHVBZ-CQSZACIVSA-N -1 0 311.386 -0.001 20 0 DBADRM CCO[C@@H]1C[C@H](N2C(=O)N[C@H](CCC(=O)[O-])C2=O)[C@H]1OC ZINC001596814531 1017171293 /nfs/dbraw/zinc/17/12/93/1017171293.db2.gz ZIYCGUBMQHNSJT-PKIKSRDPSA-N -1 0 300.311 -0.036 20 0 DBADRM C[C@@H](C(=O)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001402446883 995141527 /nfs/dbraw/zinc/14/15/27/995141527.db2.gz HQUSDRKLBDMPCA-MEBBXXQBSA-N -1 0 323.397 -0.001 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402460388 995152371 /nfs/dbraw/zinc/15/23/71/995152371.db2.gz HKHVPBONLDFCPO-GPCCPHFNSA-N -1 0 309.370 -0.391 20 0 DBADRM CS[C@@H](C)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001402511290 995169896 /nfs/dbraw/zinc/16/98/96/995169896.db2.gz ZRNDGUMVLZISPI-DTWKUNHWSA-N -1 0 315.399 -0.421 20 0 DBADRM CS[C@H](C)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001402511283 995169990 /nfs/dbraw/zinc/16/99/90/995169990.db2.gz ZRNDGUMVLZISPI-BDAKNGLRSA-N -1 0 315.399 -0.421 20 0 DBADRM O=C(Cc1cnoc1)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001402515115 995171312 /nfs/dbraw/zinc/17/13/12/995171312.db2.gz MPKISKHMYPQPRC-JTQLQIEISA-N -1 0 322.325 -0.942 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1ccccc1 ZINC001387006633 995211144 /nfs/dbraw/zinc/21/11/44/995211144.db2.gz LXJGAOFNPMAULM-VIFPVBQESA-N -1 0 319.321 -0.376 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387026637 995220482 /nfs/dbraw/zinc/22/04/82/995220482.db2.gz QQCLFLVUMZANCB-WDSKDSINSA-N -1 0 301.278 -0.735 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1CCCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001402639987 995230727 /nfs/dbraw/zinc/23/07/27/995230727.db2.gz CEPWMSGRKCDXSD-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@@]2(F)CCOC2)c1[O-] ZINC001387054453 995234983 /nfs/dbraw/zinc/23/49/83/995234983.db2.gz TVHVGEMHQYPTRP-FUXBKTLASA-N -1 0 314.317 -0.213 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387097437 995252800 /nfs/dbraw/zinc/25/28/00/995252800.db2.gz GRFOUGLRBJYWST-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM CC(C)(F)C(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001402730678 995262537 /nfs/dbraw/zinc/26/25/37/995262537.db2.gz SOBRPDITYTWHRR-CYBMUJFWSA-N -1 0 315.349 -0.299 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001556736424 1015932035 /nfs/dbraw/zinc/93/20/35/1015932035.db2.gz FEYOMZIRYLTETK-WOPDTQHZSA-N -1 0 310.354 -0.519 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]O[C@H](CO)C(C)C ZINC001556736710 1015932705 /nfs/dbraw/zinc/93/27/05/1015932705.db2.gz LRPKIHJDNASLNQ-VXGBXAGGSA-N -1 0 315.370 -0.822 20 0 DBADRM CC(C)CC(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001402855255 995307658 /nfs/dbraw/zinc/30/76/58/995307658.db2.gz DAUQZNXNMCDBDJ-UHFFFAOYSA-N -1 0 311.386 -0.001 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1C[C@H]1C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001387403315 995342923 /nfs/dbraw/zinc/34/29/23/995342923.db2.gz ZTJMZNPJZWOZBT-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM O=C(CC1CC1)NC[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001493450288 1015938274 /nfs/dbraw/zinc/93/82/74/1015938274.db2.gz MRHDBIMYBVKFQH-SECBINFHSA-N -1 0 321.337 -0.293 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)Cc2cnn(C)c2)c1[O-] ZINC001387661640 995409702 /nfs/dbraw/zinc/40/97/02/995409702.db2.gz HNQBNGFMAPXBBW-UHFFFAOYSA-N -1 0 320.353 -0.412 20 0 DBADRM CCCCC(=O)NC1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001387688265 995424555 /nfs/dbraw/zinc/42/45/55/995424555.db2.gz VLGHPWPIRAWEDN-UHFFFAOYSA-N -1 0 323.353 -0.267 20 0 DBADRM C[C@H](CNC(=O)CCc1cn(C)nn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403229732 995461754 /nfs/dbraw/zinc/46/17/54/995461754.db2.gz ZJHJJTGVZOSJBE-SECBINFHSA-N -1 0 322.373 -0.792 20 0 DBADRM COCC(=O)N[C@@H](C)C1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001403289560 995475713 /nfs/dbraw/zinc/47/57/13/995475713.db2.gz PYXBRTXFHZTANY-JTQLQIEISA-N -1 0 319.365 -0.395 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001403294439 995477351 /nfs/dbraw/zinc/47/73/51/995477351.db2.gz DKYOGAYCTWFOMC-BDAKNGLRSA-N -1 0 324.385 -0.639 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001403294441 995478168 /nfs/dbraw/zinc/47/81/68/995478168.db2.gz DKYOGAYCTWFOMC-DTWKUNHWSA-N -1 0 324.385 -0.639 20 0 DBADRM Cc1ncc(CC(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001403299144 995479610 /nfs/dbraw/zinc/47/96/10/995479610.db2.gz HBOODFIHMRJLCS-QMMMGPOBSA-N -1 0 320.353 -0.014 20 0 DBADRM Cc1cc[nH]c1C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387951177 995554347 /nfs/dbraw/zinc/55/43/47/995554347.db2.gz ANIBQBPMZFCSPM-UHFFFAOYSA-N -1 0 322.325 -0.786 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)CC1CCC1 ZINC001387952557 995554455 /nfs/dbraw/zinc/55/44/55/995554455.db2.gz PQONXMWDCRMSJF-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2c[nH]c(=O)n2C)c1[O-] ZINC001387957425 995558324 /nfs/dbraw/zinc/55/83/24/995558324.db2.gz ULTLOPHOCFTJRE-UHFFFAOYSA-N -1 0 322.325 -0.635 20 0 DBADRM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1(C)CC1 ZINC001388135358 995615526 /nfs/dbraw/zinc/61/55/26/995615526.db2.gz SJWMPAGBBXPSBI-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCCc2nn[nH]c21)Cc1n[nH]c(=O)[n-]1 ZINC001403673164 995637421 /nfs/dbraw/zinc/63/74/21/995637421.db2.gz YCNCKPITNDAMIO-MRVPVSSYSA-N -1 0 320.357 -0.704 20 0 DBADRM C[C@H](Cc1c[nH]cn1)C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001403695829 995652587 /nfs/dbraw/zinc/65/25/87/995652587.db2.gz IWAQYCSTQWZJHG-SECBINFHSA-N -1 0 307.358 -0.340 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C1(C(F)(F)F)CC1 ZINC001403721809 995673723 /nfs/dbraw/zinc/67/37/23/995673723.db2.gz UBABJFGBYLWJLD-LURJTMIESA-N -1 0 323.275 -0.581 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)[C@@H]1CC12CC2 ZINC001388470401 995697703 /nfs/dbraw/zinc/69/77/03/995697703.db2.gz IXFTWKRDAGEUBA-YUMQZZPRSA-N -1 0 321.337 -0.435 20 0 DBADRM Cc1noc(C)c1CC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001403785417 995703227 /nfs/dbraw/zinc/70/32/27/995703227.db2.gz YXEDCJYSNNZCED-UHFFFAOYSA-N -1 0 308.342 -0.094 20 0 DBADRM O=C(NCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1)C(F)F ZINC001388603704 995715318 /nfs/dbraw/zinc/71/53/18/995715318.db2.gz SFHSPLAASDVLTC-UHFFFAOYSA-N -1 0 317.252 -0.731 20 0 DBADRM O=C(CCc1nnn[n-]1)NC[C@@H](O)C(F)(F)C(F)(F)F ZINC001558105665 1015968805 /nfs/dbraw/zinc/96/88/05/1015968805.db2.gz LQGONMLXFVGSET-SCSAIBSYSA-N -1 0 303.191 -0.193 20 0 DBADRM CC[C@H](F)CN1CC[C@H]1CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388656567 995725202 /nfs/dbraw/zinc/72/52/02/995725202.db2.gz BAIUFKOPOJUOSC-UWVGGRQHSA-N -1 0 315.349 -0.030 20 0 DBADRM O=C(c1cccn2c(=O)[nH]nc12)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001558077428 1015970361 /nfs/dbraw/zinc/97/03/61/1015970361.db2.gz BWKJGXIIVYNYFY-SSDOTTSWSA-N -1 0 300.282 -0.422 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NCCN(CC)Cc1n[nH]c(=O)[n-]1 ZINC001403870982 995745828 /nfs/dbraw/zinc/74/58/28/995745828.db2.gz PQHDUHYEIOTDLU-VIFPVBQESA-N -1 0 312.374 -0.637 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)c1cccn1C ZINC001403884062 995754240 /nfs/dbraw/zinc/75/42/40/995754240.db2.gz FJXCGTKDYVEVKR-SNVBAGLBSA-N -1 0 322.369 -0.586 20 0 DBADRM O=C(Cc1cc[nH]n1)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001403990581 995798809 /nfs/dbraw/zinc/79/88/09/995798809.db2.gz WWFXTZPAOOKJGZ-JTQLQIEISA-N -1 0 305.342 -0.443 20 0 DBADRM O=C(Cn1ccnc1)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001404031476 995806052 /nfs/dbraw/zinc/80/60/52/995806052.db2.gz WIYCXAZEILLJMM-JTQLQIEISA-N -1 0 305.342 -0.512 20 0 DBADRM O=C(CCc1nnc[nH]1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404066721 995812409 /nfs/dbraw/zinc/81/24/09/995812409.db2.gz MUSXHZGVUKHWSZ-SECBINFHSA-N -1 0 320.357 -0.801 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)COC(C)C)c1[O-] ZINC001389072424 995827604 /nfs/dbraw/zinc/82/76/04/995827604.db2.gz FXMIJCHVIWSPLE-SECBINFHSA-N -1 0 314.342 -0.944 20 0 DBADRM Cc1n[nH]cc1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001404254875 995842091 /nfs/dbraw/zinc/84/20/91/995842091.db2.gz FCLCLQXHUVTRAE-UHFFFAOYSA-N -1 0 305.342 -0.064 20 0 DBADRM C[C@H](CNC(=O)C1CC1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001404275664 995844352 /nfs/dbraw/zinc/84/43/52/995844352.db2.gz POVFNMCYYOCLNV-MRVPVSSYSA-N -1 0 308.338 -0.527 20 0 DBADRM CC(=O)NCC(=O)N(C)[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001404341937 995860135 /nfs/dbraw/zinc/86/01/35/995860135.db2.gz XWRPQAMUWMWKSE-ZETCQYMHSA-N -1 0 311.342 -0.863 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@H]2CCNC(=O)C2)c1[O-] ZINC001389171842 995883474 /nfs/dbraw/zinc/88/34/74/995883474.db2.gz XVNXYKYTBPMXJX-APPZFPTMSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2cnnn2C)c1[O-] ZINC001389174243 995884597 /nfs/dbraw/zinc/88/45/97/995884597.db2.gz OUPFNLIUFNTTDA-ZCFIWIBFSA-N -1 0 307.314 -0.899 20 0 DBADRM CCOC1CN(C(=O)C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)C1 ZINC001596855987 1017173482 /nfs/dbraw/zinc/17/34/82/1017173482.db2.gz ZUJCCBMWYTTWDS-UHFFFAOYSA-N -1 0 324.337 -0.111 20 0 DBADRM C[C@H](CNC(=O)CCC(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001389244325 995907939 /nfs/dbraw/zinc/90/79/39/995907939.db2.gz XMFXHBSFISUKOK-RXMQYKEDSA-N -1 0 319.268 -0.437 20 0 DBADRM CC(C)[C@@H](F)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001389252732 995910268 /nfs/dbraw/zinc/91/02/68/995910268.db2.gz JLIVJWKNRPATCJ-RNFRBKRXSA-N -1 0 315.305 -0.489 20 0 DBADRM CC(C)[C@H](F)C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001389252733 995910756 /nfs/dbraw/zinc/91/07/56/995910756.db2.gz JLIVJWKNRPATCJ-RQJHMYQMSA-N -1 0 315.305 -0.489 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C(C)(C)F ZINC001389283605 995920549 /nfs/dbraw/zinc/92/05/49/995920549.db2.gz AFPJHMUQFVVPBY-ZETCQYMHSA-N -1 0 314.317 -0.532 20 0 DBADRM CC(C)[C@H](C)CC(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389326598 995938214 /nfs/dbraw/zinc/93/82/14/995938214.db2.gz OTDXCFMMKHZRQO-MRVPVSSYSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C(CCn1ccnn1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001389354832 995949466 /nfs/dbraw/zinc/94/94/66/995949466.db2.gz JBBQQVWOSUXEPR-JTQLQIEISA-N -1 0 320.357 -0.727 20 0 DBADRM O=C(CC1CC1)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389494147 996011557 /nfs/dbraw/zinc/01/15/57/996011557.db2.gz FRRFMCOPGQKOFS-UHFFFAOYSA-N -1 0 307.310 -0.729 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)Cc2c[nH]cn2)c1[O-] ZINC001389523446 996022899 /nfs/dbraw/zinc/02/28/99/996022899.db2.gz UMXXBQNWIFOENW-ZETCQYMHSA-N -1 0 306.326 -0.376 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3cccnn3)CC2)c1[O-] ZINC001389815238 996110499 /nfs/dbraw/zinc/11/04/99/996110499.db2.gz HPGGEPLKSSKQTI-UHFFFAOYSA-N -1 0 316.321 -0.094 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(C(=O)CC2CC2)C1 ZINC001389854223 996121134 /nfs/dbraw/zinc/12/11/34/996121134.db2.gz DDXNSTBCAAMRRJ-UHFFFAOYSA-N -1 0 309.326 -0.936 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001389920346 996138693 /nfs/dbraw/zinc/13/86/93/996138693.db2.gz FTZYHSQGAJBRIY-MRVPVSSYSA-N -1 0 323.353 -0.500 20 0 DBADRM CC[C@H](CNC(=O)C(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001390153476 996193980 /nfs/dbraw/zinc/19/39/80/996193980.db2.gz PGAWNRYERRSNKE-SCSAIBSYSA-N -1 0 305.241 -0.828 20 0 DBADRM Cc1conc1CN[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001390526464 996288690 /nfs/dbraw/zinc/28/86/90/996288690.db2.gz QQRDTKBSELFNAV-QMMMGPOBSA-N -1 0 310.314 -0.720 20 0 DBADRM Cc1conc1CN[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001390526457 996289817 /nfs/dbraw/zinc/28/98/17/996289817.db2.gz QQRDTKBSELFNAV-MRVPVSSYSA-N -1 0 310.314 -0.720 20 0 DBADRM COC[C@H](C)C(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001390731537 996349999 /nfs/dbraw/zinc/34/99/99/996349999.db2.gz MHRXAZUGMDWKPU-NSHDSACASA-N -1 0 321.381 -0.147 20 0 DBADRM CN(CCNC(=O)[C@H]1CCCc2n[nH]cc21)Cc1n[nH]c(=O)[n-]1 ZINC001390756812 996360160 /nfs/dbraw/zinc/36/01/60/996360160.db2.gz PHHWWVFYVFYSFU-VIFPVBQESA-N -1 0 319.369 -0.099 20 0 DBADRM C[C@@H](Oc1ccccn1)C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001390845485 996391630 /nfs/dbraw/zinc/39/16/30/996391630.db2.gz GTAVJHGKRVYWHH-SNVBAGLBSA-N -1 0 320.353 -0.079 20 0 DBADRM COCCn1cc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001390849941 996393887 /nfs/dbraw/zinc/39/38/87/996393887.db2.gz JQDUYXZHCRRHKG-UHFFFAOYSA-N -1 0 323.357 -0.785 20 0 DBADRM Cc1ccnc(CN(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001390848669 996395063 /nfs/dbraw/zinc/39/50/63/996395063.db2.gz ABQGHWVTHPLVDG-UHFFFAOYSA-N -1 0 321.341 -0.964 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@@H](O)[C@@H](F)C2)C1 ZINC001593761614 996423081 /nfs/dbraw/zinc/42/30/81/996423081.db2.gz BVFIAYQVVCLGFI-RBZYPMLTSA-N -1 0 316.329 -0.369 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCc2ncccn2)C1 ZINC001593765739 996442380 /nfs/dbraw/zinc/44/23/80/996442380.db2.gz VIPOXEWSJFITCE-AWEZNQCLSA-N -1 0 306.322 -0.194 20 0 DBADRM C[C@](O)(CC(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001391086373 996444131 /nfs/dbraw/zinc/44/41/31/996444131.db2.gz QBLWVZRSLZEIKS-BONVTDFDSA-N -1 0 323.397 -0.001 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001593766457 996447057 /nfs/dbraw/zinc/44/70/57/996447057.db2.gz OWTLHFUANFIFGN-CQSZACIVSA-N -1 0 309.322 -0.360 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC001593766684 996447491 /nfs/dbraw/zinc/44/74/91/996447491.db2.gz UZPSBKYVQSQFSL-GFCCVEGCSA-N -1 0 304.368 -0.409 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)CNC(=O)C1CC1 ZINC001391133776 996464123 /nfs/dbraw/zinc/46/41/23/996464123.db2.gz DFOLLBIPQZRAPW-MRVPVSSYSA-N -1 0 308.338 -0.622 20 0 DBADRM Cn1cncc1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001391169452 996475471 /nfs/dbraw/zinc/47/54/71/996475471.db2.gz OUXUEUOIPOMSJA-UHFFFAOYSA-N -1 0 305.342 -0.362 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCN(CCF)C1CC1 ZINC001391172478 996478105 /nfs/dbraw/zinc/47/81/05/996478105.db2.gz LIINFALCCZXECH-UHFFFAOYSA-N -1 0 313.333 -0.235 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)c2cnnn2C)c1[O-] ZINC001391218188 996493041 /nfs/dbraw/zinc/49/30/41/996493041.db2.gz BGKBUAHCFBDZER-ZETCQYMHSA-N -1 0 321.341 -0.652 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)[C@]23C[C@H]2COC3)c1[O-] ZINC001391225224 996494383 /nfs/dbraw/zinc/49/43/83/996494383.db2.gz UATBEUJOHKFWFY-KPCOEVGBSA-N -1 0 322.365 -0.058 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(c2nnnn2CCO[C@@H]2CCOC2)C1 ZINC001593802031 996526118 /nfs/dbraw/zinc/52/61/18/996526118.db2.gz QRYQYSPSHRRFSZ-MFKMUULPSA-N -1 0 311.342 -0.220 20 0 DBADRM O=C(C[C@@H]1CCCC(=O)N1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391491079 996556312 /nfs/dbraw/zinc/55/63/12/996556312.db2.gz SFLPOBUBEVROFT-JTQLQIEISA-N -1 0 322.369 -0.883 20 0 DBADRM Cn1cncc1CC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391512436 996562001 /nfs/dbraw/zinc/56/20/01/996562001.db2.gz SUKKMWMXESNXGL-UHFFFAOYSA-N -1 0 305.342 -0.966 20 0 DBADRM CN(C(=O)CCn1cccn1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391599251 996587550 /nfs/dbraw/zinc/58/75/50/996587550.db2.gz BNPFWHMLPIFOEI-NSHDSACASA-N -1 0 319.369 -0.170 20 0 DBADRM CN(C(=O)COCC1CC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391608622 996589595 /nfs/dbraw/zinc/58/95/95/996589595.db2.gz TXYWSEVHBWXSMS-LLVKDONJSA-N -1 0 309.370 -0.030 20 0 DBADRM CC1(C)C[C@@H](NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CO1 ZINC001593853233 996630796 /nfs/dbraw/zinc/63/07/96/996630796.db2.gz BPWYCJMLKLGRCG-ZJUUUORDSA-N -1 0 314.338 -0.628 20 0 DBADRM CC1(C)C[C@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C(=O)O1 ZINC001593856718 996642633 /nfs/dbraw/zinc/64/26/33/996642633.db2.gz IGFDSTBPJFPTNX-IUCAKERBSA-N -1 0 312.322 -0.480 20 0 DBADRM O=C(Cn1cccn1)NC[C@H]1CCC[C@H]1NC(=O)c1cn[nH]n1 ZINC001391953342 996663404 /nfs/dbraw/zinc/66/34/04/996663404.db2.gz QGYAYYXIOFWIDN-GHMZBOCLSA-N -1 0 317.353 -0.284 20 0 DBADRM CC1(C)C[C@H]1CNC(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001593869219 996676823 /nfs/dbraw/zinc/67/68/23/996676823.db2.gz VWYOQFFOGPQDNF-VFZGTOFNSA-N -1 0 323.349 -0.019 20 0 DBADRM CC1(C)C[C@H]1C(=O)N(CCO)CCNc1ccnc(C(=O)[O-])n1 ZINC001593869448 996677517 /nfs/dbraw/zinc/67/75/17/996677517.db2.gz YQKVWMLDNPJWKC-JTQLQIEISA-N -1 0 322.365 -0.124 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)CCC2CC2)c1[O-] ZINC001392044127 996703703 /nfs/dbraw/zinc/70/37/03/996703703.db2.gz VJBOFHPPIQCZTN-SNVBAGLBSA-N -1 0 310.354 -0.179 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001596887117 1017176169 /nfs/dbraw/zinc/17/61/69/1017176169.db2.gz XTKWNHUPDNCOLW-GWOFURMSSA-N -1 0 317.338 -0.099 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cccn2c(=O)[nH]nc12 ZINC001596879012 1017176203 /nfs/dbraw/zinc/17/62/03/1017176203.db2.gz IUJHXDRSGMVQEO-VIFPVBQESA-N -1 0 308.294 -0.003 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CCO)CN(C(=O)C(F)F)C2)c1[O-] ZINC001404525668 996806830 /nfs/dbraw/zinc/80/68/30/996806830.db2.gz ACOAPQHQQMFSJQ-UHFFFAOYSA-N -1 0 318.280 -0.618 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001596873180 1017176542 /nfs/dbraw/zinc/17/65/42/1017176542.db2.gz VSOJNYVUDRGSHA-SKDRFNHKSA-N -1 0 322.383 -0.594 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC001599074046 996827104 /nfs/dbraw/zinc/82/71/04/996827104.db2.gz XIDVRGDUUDEJNM-AWEZNQCLSA-N -1 0 317.305 -0.022 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNCc2ncc(C)cn2)c1[O-] ZINC001392369274 996837543 /nfs/dbraw/zinc/83/75/43/996837543.db2.gz VASWZLRPPZHOIZ-SNVBAGLBSA-N -1 0 320.353 -0.597 20 0 DBADRM O=C(CC[C@@H]1CCOC1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404866403 996890074 /nfs/dbraw/zinc/89/00/74/996890074.db2.gz QQQDFWRCSHGVJQ-SNVBAGLBSA-N -1 0 309.370 -0.125 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)C1(F)CCOCC1 ZINC001404884430 996893849 /nfs/dbraw/zinc/89/38/49/996893849.db2.gz FKFUDSQBBXAXPB-UHFFFAOYSA-N -1 0 313.333 -0.423 20 0 DBADRM CC(C)CC(=O)N[C@@H](C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001405102815 997002627 /nfs/dbraw/zinc/00/26/27/997002627.db2.gz NFVRKXACRWGWPV-VIFPVBQESA-N -1 0 313.358 -0.302 20 0 DBADRM CCC(=O)N[C@H](C)CN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001405119201 997013553 /nfs/dbraw/zinc/01/35/53/997013553.db2.gz BEHUHNDQKPKVHG-SECBINFHSA-N -1 0 320.353 -0.556 20 0 DBADRM CCN(C(=O)Cn1cncn1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001405202725 997063407 /nfs/dbraw/zinc/06/34/07/997063407.db2.gz RJUSNJVNSPGNKZ-JTQLQIEISA-N -1 0 320.357 -0.775 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NCc2ccc(C(=O)[O-])cn2)C1=O ZINC001593968929 997124927 /nfs/dbraw/zinc/12/49/27/997124927.db2.gz OMPUAZBFQHTKPE-UHFFFAOYSA-N -1 0 320.305 -0.274 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])O1 ZINC001593972667 997143694 /nfs/dbraw/zinc/14/36/94/997143694.db2.gz BXBGSFBRLMJPEA-VHSXEESVSA-N -1 0 314.338 -0.280 20 0 DBADRM C[C@@H](CN(C)Cc1cncs1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001392697060 997149005 /nfs/dbraw/zinc/14/90/05/997149005.db2.gz ZHLQLRXDWQGKNJ-ZETCQYMHSA-N -1 0 324.366 -0.010 20 0 DBADRM CC1(C)OC[C@@H](CCN2CCS(=O)(=O)C[C@H]2C(=O)[O-])O1 ZINC001593973777 997152234 /nfs/dbraw/zinc/15/22/34/997152234.db2.gz IQCFGKQMFNAMEA-ZJUUUORDSA-N -1 0 307.368 -0.288 20 0 DBADRM CC1(C)OCC(CO)(NC(=O)c2cc(C(=O)[O-])on2)CO1 ZINC001593973814 997152596 /nfs/dbraw/zinc/15/25/96/997152596.db2.gz JBOOWIBOVNPAFT-UHFFFAOYSA-N -1 0 300.267 -0.383 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1cncn1C ZINC001392715814 997162293 /nfs/dbraw/zinc/16/22/93/997162293.db2.gz IUOHPLHRWSMEFK-JTQLQIEISA-N -1 0 321.385 -0.187 20 0 DBADRM CCCN(C(=O)CC(N)=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001493950087 1016099546 /nfs/dbraw/zinc/09/95/46/1016099546.db2.gz UDWMDSAKGZJMEA-VIFPVBQESA-N -1 0 310.358 -0.801 20 0 DBADRM CCC(=O)N[C@H](CO)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001405329147 997197991 /nfs/dbraw/zinc/19/79/91/997197991.db2.gz VVZCZNAKCUUHMK-ZETCQYMHSA-N -1 0 308.294 -0.455 20 0 DBADRM Cc1ccnn1CC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001392856557 997267388 /nfs/dbraw/zinc/26/73/88/997267388.db2.gz VFPHBJYNBZZNBY-SNVBAGLBSA-N -1 0 305.342 -0.594 20 0 DBADRM O=C(CCc1cn[nH]c1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001392857848 997272915 /nfs/dbraw/zinc/27/29/15/997272915.db2.gz CTVBLXJNWRAHCP-JTQLQIEISA-N -1 0 305.342 -0.443 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cnn(C)c1 ZINC001392879592 997294300 /nfs/dbraw/zinc/29/43/00/997294300.db2.gz CONQORQBDNJXJY-ONGXEEELSA-N -1 0 319.369 -0.262 20 0 DBADRM CC(=O)N(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001493990798 1016111135 /nfs/dbraw/zinc/11/11/35/1016111135.db2.gz JIXIHXZMEBIZMB-NSHDSACASA-N -1 0 324.385 -0.683 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)CCn2ccnc2)c1[O-] ZINC001392967357 997343788 /nfs/dbraw/zinc/34/37/88/997343788.db2.gz HKCOWMHLNHBCNM-VIFPVBQESA-N -1 0 320.353 -0.055 20 0 DBADRM CC[C@@H](F)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001393009199 997362108 /nfs/dbraw/zinc/36/21/08/997362108.db2.gz WEBKTBHVYCAVNB-NTSWFWBYSA-N -1 0 301.278 -0.735 20 0 DBADRM CC(=O)NCC(=O)NCC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001393159222 997441483 /nfs/dbraw/zinc/44/14/83/997441483.db2.gz IRLWCDUWYIXSKG-UHFFFAOYSA-N -1 0 324.385 -0.635 20 0 DBADRM CS[C@@H](C)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393234174 997468113 /nfs/dbraw/zinc/46/81/13/997468113.db2.gz KBKIQVJKBMNBLF-QPUJVOFHSA-N -1 0 315.399 -0.685 20 0 DBADRM CC(=O)N1CCC2(CN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C2)C1 ZINC001405990478 997482146 /nfs/dbraw/zinc/48/21/46/997482146.db2.gz VOMVVRVAZQBNEM-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](NCc2nnn(C)n2)C(C)C)c1[O-] ZINC001406007107 997486649 /nfs/dbraw/zinc/48/66/49/997486649.db2.gz FFQNFXKTBKXZHA-SECBINFHSA-N -1 0 322.373 -0.509 20 0 DBADRM CN(CCN(C)C(=O)C[C@](C)(O)C1CC1)Cc1n[nH]c(=O)[n-]1 ZINC001406096420 997517935 /nfs/dbraw/zinc/51/79/35/997517935.db2.gz INZOZWGMZJXIRB-AWEZNQCLSA-N -1 0 311.386 -0.048 20 0 DBADRM Cc1nnc(CC(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)[nH]1 ZINC001406104021 997521684 /nfs/dbraw/zinc/52/16/84/997521684.db2.gz DUFUYGFLDYRQCG-UHFFFAOYSA-N -1 0 308.346 -0.930 20 0 DBADRM CCc1[nH]ccc1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393306082 997564685 /nfs/dbraw/zinc/56/46/85/997564685.db2.gz RWXHWIKMSMPDOK-UHFFFAOYSA-N -1 0 320.353 -0.623 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(Cc3conc3C)C2)c1[O-] ZINC001393310204 997568646 /nfs/dbraw/zinc/56/86/46/997568646.db2.gz BNRFFYAPCBZUBZ-UHFFFAOYSA-N -1 0 321.337 -0.303 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(CO)CCCN(CCF)C2)c1[O-] ZINC001393433090 997660091 /nfs/dbraw/zinc/66/00/91/997660091.db2.gz QECVVEHHIHLIKQ-ZDUSSCGKSA-N -1 0 300.334 -0.050 20 0 DBADRM CC(C)(C)C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001393473660 997689187 /nfs/dbraw/zinc/68/91/87/997689187.db2.gz JUMFCJHNVZTESB-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM CO[C@@H]1CCN(S(=O)(=O)CC2(N(C)C)CC2)[C@@H](C(=O)[O-])C1 ZINC001599122885 997772824 /nfs/dbraw/zinc/77/28/24/997772824.db2.gz IBXZWMXKLXRGFD-GHMZBOCLSA-N -1 0 320.411 -0.026 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)[C@H](O)C(C)C)CC2)c1[O-] ZINC001393624552 997773635 /nfs/dbraw/zinc/77/36/35/997773635.db2.gz BXZPNPROPGQCMZ-SNVBAGLBSA-N -1 0 310.354 -0.181 20 0 DBADRM C[C@@H](CN(C)Cc1nn(C)c(=O)[n-]1)NC(=O)C[C@H]1CCCO1 ZINC001406596081 997825824 /nfs/dbraw/zinc/82/58/24/997825824.db2.gz HMNNRACHEWAABJ-WDEREUQCSA-N -1 0 311.386 -0.386 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)Cc2nnnn2C)c1[O-] ZINC001406605026 997830311 /nfs/dbraw/zinc/83/03/11/997830311.db2.gz DSFBIJITWJMIPN-SSDOTTSWSA-N -1 0 308.346 -0.802 20 0 DBADRM CC1(CC(=O)NC2(CNC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)CC1 ZINC001393755915 997832411 /nfs/dbraw/zinc/83/24/11/997832411.db2.gz ARWAENNSASBULP-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM CSCC(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001393760530 997833292 /nfs/dbraw/zinc/83/32/92/997833292.db2.gz ZACKHIZULZZRER-UHFFFAOYSA-N -1 0 313.339 -0.976 20 0 DBADRM Cc1noc(CCC(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001406645861 997843291 /nfs/dbraw/zinc/84/32/91/997843291.db2.gz KHRZUSMHQDZEOU-QMMMGPOBSA-N -1 0 323.357 -0.229 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCn1ccnc1 ZINC001406640598 997844652 /nfs/dbraw/zinc/84/46/52/997844652.db2.gz AZYAYUWUZWLHJD-JTQLQIEISA-N -1 0 307.358 -0.266 20 0 DBADRM COCc1nocc1C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001406682802 997853151 /nfs/dbraw/zinc/85/31/51/997853151.db2.gz NFFIIEPKQMJRIM-QMMMGPOBSA-N -1 0 324.341 -0.105 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001393836426 997861153 /nfs/dbraw/zinc/86/11/53/997861153.db2.gz TVJDMEXDIAUWMW-ZJUUUORDSA-N -1 0 309.370 -0.391 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CNCc2nncn2C)C2CC2)c1[O-] ZINC001406772461 997873819 /nfs/dbraw/zinc/87/38/19/997873819.db2.gz YQMNFCWOCSXAJI-SNVBAGLBSA-N -1 0 319.369 -0.150 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)C1(F)CCOCC1 ZINC001406928095 997939563 /nfs/dbraw/zinc/93/95/63/997939563.db2.gz XIVPXUNGTBUBKX-UHFFFAOYSA-N -1 0 313.333 -0.233 20 0 DBADRM CC(C)CC(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001494144352 1016169804 /nfs/dbraw/zinc/16/98/04/1016169804.db2.gz QIGRFFBOERXYJB-OCAPTIKFSA-N -1 0 309.326 -0.294 20 0 DBADRM C[C@@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)N(C)CCF ZINC001394091134 997972198 /nfs/dbraw/zinc/97/21/98/997972198.db2.gz RWIGJNJNZMVBTD-QMMMGPOBSA-N -1 0 301.322 -0.379 20 0 DBADRM C[C@@H](CNC(=O)CCc1ncccn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001394118233 997990605 /nfs/dbraw/zinc/99/06/05/997990605.db2.gz VCYNKKJFMXCUNJ-JTQLQIEISA-N -1 0 319.369 -0.130 20 0 DBADRM COCCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1ccc[nH]1 ZINC001599238936 998000242 /nfs/dbraw/zinc/00/02/42/998000242.db2.gz SJJYAFOXMWCEMR-WDEREUQCSA-N -1 0 323.349 -0.060 20 0 DBADRM COCCN1C[C@@H](C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])CC1=O ZINC001599239413 998009930 /nfs/dbraw/zinc/00/99/30/998009930.db2.gz BRPKKCYGIDLLGG-NHCYSSNCSA-N -1 0 314.338 -0.913 20 0 DBADRM C[C@H](NC(=O)Cc1ccon1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001394215094 998036998 /nfs/dbraw/zinc/03/69/98/998036998.db2.gz FQLXOGLYVRSTEG-QMMMGPOBSA-N -1 0 306.326 -0.323 20 0 DBADRM CC[C@H](C)[C@H](C)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407441477 998201034 /nfs/dbraw/zinc/20/10/34/998201034.db2.gz UHORVCRRGSUIBA-UWVGGRQHSA-N -1 0 311.386 -0.145 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001407486590 998230298 /nfs/dbraw/zinc/23/02/98/998230298.db2.gz PVALAAWVVFXRLS-BDAKNGLRSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(CCCn1cncn1)N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001494237561 1016200496 /nfs/dbraw/zinc/20/04/96/1016200496.db2.gz ARCIDLAIRKKCTA-AOOOYVTPSA-N -1 0 318.341 -0.746 20 0 DBADRM COC[C@](C)(NC(=O)/C=C(/C)CN1CCOCC1)C(=O)[O-] ZINC001599150949 998297576 /nfs/dbraw/zinc/29/75/76/998297576.db2.gz CELCGQZPKDHCBQ-MSKHEQNASA-N -1 0 300.355 -0.129 20 0 DBADRM O=C(Cc1ccccc1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001394620461 998298214 /nfs/dbraw/zinc/29/82/14/998298214.db2.gz UQTNACYFGUZHAO-NSHDSACASA-N -1 0 305.338 -0.680 20 0 DBADRM O=C(NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)C1CCC(F)CC1 ZINC001394623355 998301407 /nfs/dbraw/zinc/30/14/07/998301407.db2.gz SSSCBIAGPVPRFB-RTBKNWGFSA-N -1 0 315.349 -0.395 20 0 DBADRM CCCC(=O)N[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001407679589 998323536 /nfs/dbraw/zinc/32/35/36/998323536.db2.gz YYZVDBDKTGSHSD-SECBINFHSA-N -1 0 311.342 -0.500 20 0 DBADRM CCCCC(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001407802250 998376866 /nfs/dbraw/zinc/37/68/66/998376866.db2.gz NRPACGUEZROEMJ-ZKCHVHJHSA-N -1 0 309.326 -0.150 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001494295454 1016212041 /nfs/dbraw/zinc/21/20/41/1016212041.db2.gz FIHLJVUWBBTXJA-VIFPVBQESA-N -1 0 323.353 -0.546 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001407902999 998420926 /nfs/dbraw/zinc/42/09/26/998420926.db2.gz NMTKAMBVEUFSTA-GJMOJQLCSA-N -1 0 315.305 -0.799 20 0 DBADRM O=C(NC[C@@H]1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)O1)C(F)F ZINC001407975205 998441070 /nfs/dbraw/zinc/44/10/70/998441070.db2.gz LCJACVXCPDPXIN-ZETCQYMHSA-N -1 0 317.296 -0.375 20 0 DBADRM CS[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001394768604 998474022 /nfs/dbraw/zinc/47/40/22/998474022.db2.gz OGSZXEWLCCHWKX-DTWKUNHWSA-N -1 0 317.415 -0.487 20 0 DBADRM Cc1cc[nH]c1C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001394776614 998482872 /nfs/dbraw/zinc/48/28/72/998482872.db2.gz PFNOPAZHYRETKD-SNVBAGLBSA-N -1 0 322.369 -0.288 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)C[C@H]2CCNC2=O)c1[O-] ZINC001408130201 998512874 /nfs/dbraw/zinc/51/28/74/998512874.db2.gz ZYOTUQUGSFXBRB-VXNVDRBHSA-N -1 0 323.353 -0.816 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1CC12CCC2 ZINC001408259433 998577034 /nfs/dbraw/zinc/57/70/34/998577034.db2.gz MBWSMDICWUZQGA-DTWKUNHWSA-N -1 0 323.353 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)Cc2ncc[nH]2)c1[O-] ZINC001408295514 998593344 /nfs/dbraw/zinc/59/33/44/998593344.db2.gz PXBDMFQYLRTPAU-ZETCQYMHSA-N -1 0 306.326 -0.376 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC1(C)C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001395068608 998593490 /nfs/dbraw/zinc/59/34/90/998593490.db2.gz SWTGYHPUOQSYSN-HTQZYQBOSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CC12CC2)NC(=O)c1cnc([O-])n(C)c1=O ZINC001408360274 998612933 /nfs/dbraw/zinc/61/29/33/998612933.db2.gz STGOETLWHJBILU-WCBMZHEXSA-N -1 0 320.349 -0.480 20 0 DBADRM CC(C)C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001408399541 998621977 /nfs/dbraw/zinc/62/19/77/998621977.db2.gz NTLLYVQQIZBTIO-QMMMGPOBSA-N -1 0 309.326 -0.483 20 0 DBADRM C[C@H](CCNC(=O)[C@@]1(C)CCC(=O)NC1)NC(=O)c1cn[nH]n1 ZINC001408493536 998641258 /nfs/dbraw/zinc/64/12/58/998641258.db2.gz MBMUPYWUMCVCJN-OTYXRUKQSA-N -1 0 322.369 -0.654 20 0 DBADRM CCCC(=O)N[C@H](C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001395263296 998645007 /nfs/dbraw/zinc/64/50/07/998645007.db2.gz SBQBNVCKOZTXMI-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001494379636 1016236074 /nfs/dbraw/zinc/23/60/74/1016236074.db2.gz JDKMGKISPZHMDX-GDGBQDQQSA-N -1 0 323.353 -0.548 20 0 DBADRM CCCC(=O)N[C@@H](C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001395263297 998645599 /nfs/dbraw/zinc/64/55/99/998645599.db2.gz SBQBNVCKOZTXMI-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2COCCO2)c1[O-] ZINC001395456867 998669735 /nfs/dbraw/zinc/66/97/35/998669735.db2.gz QUFSLDKSNWSNKT-ZJUUUORDSA-N -1 0 324.337 -0.830 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001395633306 998697443 /nfs/dbraw/zinc/69/74/43/998697443.db2.gz ZYAFWLZEXXATEX-HTQZYQBOSA-N -1 0 311.342 -0.094 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(F)F ZINC001395633600 998697568 /nfs/dbraw/zinc/69/75/68/998697568.db2.gz XZKOWJHPEBBIFL-BYPYZUCNSA-N -1 0 305.241 -0.875 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1(C)CC1 ZINC001395628252 998697577 /nfs/dbraw/zinc/69/75/77/998697577.db2.gz GFWCVAFVZDTOAW-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001395635201 998698447 /nfs/dbraw/zinc/69/84/47/998698447.db2.gz YVTPZIXERBJOKY-RNJXMRFFSA-N -1 0 309.326 -0.485 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001596980445 1017183563 /nfs/dbraw/zinc/18/35/63/1017183563.db2.gz CFQJRRFDPZJOPF-UKKRHICBSA-N -1 0 302.327 -0.733 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2cnc[nH]c2=O)C1 ZINC001395866777 998796876 /nfs/dbraw/zinc/79/68/76/998796876.db2.gz HPJJJWCWPJJKJJ-WCBMZHEXSA-N -1 0 321.337 -0.963 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001396002290 998815103 /nfs/dbraw/zinc/81/51/03/998815103.db2.gz TWXOVQWDDXXSNP-IUCAKERBSA-N -1 0 316.333 -0.279 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001396733096 998890519 /nfs/dbraw/zinc/89/05/19/998890519.db2.gz OVKJSJPHXVTQOH-SECBINFHSA-N -1 0 321.337 -0.658 20 0 DBADRM CCOc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])on1 ZINC001596997579 1017183945 /nfs/dbraw/zinc/18/39/45/1017183945.db2.gz BSAGSWLJABSVGH-MRVPVSSYSA-N -1 0 311.294 -0.121 20 0 DBADRM C[C@@H](CNC(=O)c1ccccc1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397362463 999021345 /nfs/dbraw/zinc/02/13/45/999021345.db2.gz JOFJVGMZXSJIHM-QMMMGPOBSA-N -1 0 317.305 -0.169 20 0 DBADRM CCn1cc(C(=O)N[C@@H](C)CNC(=O)c2[nH]nc(C)c2[O-])nn1 ZINC001397413154 999038884 /nfs/dbraw/zinc/03/88/84/999038884.db2.gz ATCWFWMZGJCWQR-ZETCQYMHSA-N -1 0 321.341 -0.417 20 0 DBADRM CN(C[C@H]1CCN1CCF)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001397578424 999086106 /nfs/dbraw/zinc/08/61/06/999086106.db2.gz MJGMZPZLOBYWOT-SNVBAGLBSA-N -1 0 322.344 -0.427 20 0 DBADRM COC[C@H](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC001494462458 1016279450 /nfs/dbraw/zinc/27/94/50/1016279450.db2.gz VKUACYOGBVVTHG-DNJQJEMRSA-N -1 0 307.354 -0.336 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CC12CC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001397629205 999098156 /nfs/dbraw/zinc/09/81/56/999098156.db2.gz KHBHTLWZGBAAGW-RQJHMYQMSA-N -1 0 307.310 -0.683 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)[C@H](C)NC(C)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001397741973 999119369 /nfs/dbraw/zinc/11/93/69/999119369.db2.gz ZUXKXUPRHTZZKK-INTQDDNPSA-N -1 0 324.385 -0.496 20 0 DBADRM CN(CCNC(=O)CC(C)(C)C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397866223 999151831 /nfs/dbraw/zinc/15/18/31/999151831.db2.gz IKLQTWOZPHSVHG-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM CN(CCNC(=O)[C@@H]1CC12CCC2)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397906347 999167323 /nfs/dbraw/zinc/16/73/23/999167323.db2.gz BKHMPCAONQUIAI-VIFPVBQESA-N -1 0 323.353 -0.546 20 0 DBADRM CS[C@H](C)C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397987226 999189305 /nfs/dbraw/zinc/18/93/05/999189305.db2.gz JBLFUYGOMFGCBD-SSDOTTSWSA-N -1 0 317.371 -0.985 20 0 DBADRM CN(CCNC(=O)CC(C)(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001398031886 999200525 /nfs/dbraw/zinc/20/05/25/999200525.db2.gz QQBJILCOJJRWGJ-UHFFFAOYSA-N -1 0 319.268 -0.484 20 0 DBADRM CC[C@@H](C)C(=O)NCCN(CC)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001398074439 999208483 /nfs/dbraw/zinc/20/84/83/999208483.db2.gz XDFXOXBRXAHDQN-MRVPVSSYSA-N -1 0 311.342 -0.093 20 0 DBADRM CCC(=O)N(CC)CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001398107003 999212109 /nfs/dbraw/zinc/21/21/09/999212109.db2.gz FSMMKDUNNXAPCU-UHFFFAOYSA-N -1 0 311.342 -0.410 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1CCC1 ZINC001398124415 999213200 /nfs/dbraw/zinc/21/32/00/999213200.db2.gz QFUILUGKEBBTNA-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM CC[C@H](C)C(=O)N(CC)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001398124666 999213221 /nfs/dbraw/zinc/21/32/21/999213221.db2.gz SJLIGRLMEYMDAP-QMMMGPOBSA-N -1 0 311.342 -0.093 20 0 DBADRM CC(=O)N1CCC[C@H]1CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001398174286 999218300 /nfs/dbraw/zinc/21/83/00/999218300.db2.gz RSWLTTUAUFQGAK-JTQLQIEISA-N -1 0 311.342 -0.403 20 0 DBADRM CCCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1CC1 ZINC001398260410 999230984 /nfs/dbraw/zinc/23/09/84/999230984.db2.gz UBYCGFHERXSXRI-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM CCCC(=O)N(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001398355229 999255991 /nfs/dbraw/zinc/25/59/91/999255991.db2.gz SRIPFVSTRPCXFJ-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM CC(=O)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001398596576 999311196 /nfs/dbraw/zinc/31/11/96/999311196.db2.gz BYAPCVOTMFSJLE-PHIMTYICSA-N -1 0 309.370 -0.396 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)CC(C)(C)O)C2)c1[O-] ZINC001398739344 999349315 /nfs/dbraw/zinc/34/93/15/999349315.db2.gz RLQFJZWKYOAKAI-UHFFFAOYSA-N -1 0 310.354 -0.227 20 0 DBADRM COC[C@@H](C)C(=O)N1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001398759432 999352267 /nfs/dbraw/zinc/35/22/67/999352267.db2.gz WEZKUJBIYIAESH-MRVPVSSYSA-N -1 0 310.354 -0.106 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001398780473 999356156 /nfs/dbraw/zinc/35/61/56/999356156.db2.gz KNNCOKOSTBFXDT-ONGXEEELSA-N -1 0 324.385 -0.637 20 0 DBADRM CC[C@H](CNC(=O)C1CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001398864523 999367663 /nfs/dbraw/zinc/36/76/63/999367663.db2.gz BOXUZGZNXHAHRC-MRVPVSSYSA-N -1 0 309.326 -0.293 20 0 DBADRM CC[C@H](CNC(=O)CC1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001398887328 999370362 /nfs/dbraw/zinc/37/03/62/999370362.db2.gz VCIDXODQEPDJHS-SNVBAGLBSA-N -1 0 322.365 -0.089 20 0 DBADRM CC[C@@H](CNC(=O)CC1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001398887324 999370697 /nfs/dbraw/zinc/37/06/97/999370697.db2.gz VCIDXODQEPDJHS-JTQLQIEISA-N -1 0 322.365 -0.089 20 0 DBADRM CC[C@@H](C)C(=O)N[C@H](CC)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001399030230 999397761 /nfs/dbraw/zinc/39/77/61/999397761.db2.gz KOTVABOPPGVDJF-RKDXNWHRSA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)Cc2cc[nH]n2)c1[O-] ZINC001399340435 999414490 /nfs/dbraw/zinc/41/44/90/999414490.db2.gz HNZHYQZOYHYDAG-MRVPVSSYSA-N -1 0 320.353 -0.128 20 0 DBADRM CC[C@H](C)C(=O)NC[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001399341028 999414805 /nfs/dbraw/zinc/41/48/05/999414805.db2.gz HHCJGBADSUJLGY-IUCAKERBSA-N -1 0 313.358 -0.396 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)Cc2cc[nH]n2)c1[O-] ZINC001399340444 999414810 /nfs/dbraw/zinc/41/48/10/999414810.db2.gz HNZHYQZOYHYDAG-QMMMGPOBSA-N -1 0 320.353 -0.128 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)Cc2nc(N(C)C)no2)c1[O-] ZINC001399461580 999433681 /nfs/dbraw/zinc/43/36/81/999433681.db2.gz YYGXHUKQLQRBQH-UHFFFAOYSA-N -1 0 323.357 -0.265 20 0 DBADRM CCn1nncc1CN(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001399461504 999433821 /nfs/dbraw/zinc/43/38/21/999433821.db2.gz YVOOSXZEODWVEN-UHFFFAOYSA-N -1 0 307.358 -0.103 20 0 DBADRM Cc1noc(CCC(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001399544123 999443121 /nfs/dbraw/zinc/44/31/21/999443121.db2.gz GZSWIQPNIWJIJY-UHFFFAOYSA-N -1 0 309.330 -0.617 20 0 DBADRM CCCC(=O)N[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)C ZINC001399604428 999451049 /nfs/dbraw/zinc/45/10/49/999451049.db2.gz IWCGWWCVGWMNCY-MRVPVSSYSA-N -1 0 311.342 -0.047 20 0 DBADRM CN(C/C=C/Cl)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001399608527 999452120 /nfs/dbraw/zinc/45/21/20/999452120.db2.gz PDVQMMMNBAGQNK-NSCUHMNNSA-N -1 0 324.772 -0.128 20 0 DBADRM CC(=O)N[C@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C(C)C ZINC001399615799 999452918 /nfs/dbraw/zinc/45/29/18/999452918.db2.gz KBLMBDXENMCGMY-SNVBAGLBSA-N -1 0 311.342 -0.508 20 0 DBADRM CN(CCNC(=O)CCc1cnccn1)Cc1n[nH]c(=O)[n-]1 ZINC001399632649 999454964 /nfs/dbraw/zinc/45/49/64/999454964.db2.gz IYNCOEKXPFKQIP-UHFFFAOYSA-N -1 0 305.342 -0.519 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1CC12CC2)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001399734591 999471359 /nfs/dbraw/zinc/47/13/59/999471359.db2.gz TYJGVALBDVTMEX-VIFPVBQESA-N -1 0 323.353 -0.594 20 0 DBADRM CCn1ccc(CC(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001494556932 1016320816 /nfs/dbraw/zinc/32/08/16/1016320816.db2.gz YVVAFOKOSZZEDU-UHFFFAOYSA-N -1 0 319.369 -0.483 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1CCC1 ZINC001399855093 999506229 /nfs/dbraw/zinc/50/62/29/999506229.db2.gz GVKLUIBKGUYYRB-MRVPVSSYSA-N -1 0 308.338 -0.480 20 0 DBADRM O=C(CC1(O)CCC1)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001399861515 999507580 /nfs/dbraw/zinc/50/75/80/999507580.db2.gz NSNKKZLDSHSPAX-SNVBAGLBSA-N -1 0 309.370 -0.104 20 0 DBADRM O=C(CN1CCCC1=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001399899482 999519139 /nfs/dbraw/zinc/51/91/39/999519139.db2.gz OEBDMGXRFPKYPC-JTQLQIEISA-N -1 0 322.369 -0.929 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@@H](C)n2cncn2)c1[O-] ZINC001399941600 999530770 /nfs/dbraw/zinc/53/07/70/999530770.db2.gz PBGIIDUHRFZJAT-VXNVDRBHSA-N -1 0 321.341 -0.489 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CC1(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001400271623 999597761 /nfs/dbraw/zinc/59/77/61/999597761.db2.gz SDJDUBVKLWFUPV-YUMQZZPRSA-N -1 0 311.342 -0.644 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)NCc1nc(C(=O)[O-])co1 ZINC001597224254 1017190444 /nfs/dbraw/zinc/19/04/44/1017190444.db2.gz PKBWPNPEYBSIFZ-ZCFIWIBFSA-N -1 0 305.312 -0.683 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)NCc1nc(C(=O)[O-])co1 ZINC001597224253 1017190518 /nfs/dbraw/zinc/19/05/18/1017190518.db2.gz PKBWPNPEYBSIFZ-LURJTMIESA-N -1 0 305.312 -0.683 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001597216252 1017190746 /nfs/dbraw/zinc/19/07/46/1017190746.db2.gz YLVODXWHQFKYLY-ZJUUUORDSA-N -1 0 322.383 -0.594 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001597207606 1017188712 /nfs/dbraw/zinc/18/87/12/1017188712.db2.gz JEPPVIGNSBNKLN-UHFFFAOYSA-N -1 0 301.324 -0.532 20 0 DBADRM CCS(=O)(=O)CC(=O)NCc1c(C)nn(CC(=O)[O-])c1C ZINC001597207691 1017188848 /nfs/dbraw/zinc/18/88/48/1017188848.db2.gz KPKKDNYLPYJMTB-UHFFFAOYSA-N -1 0 317.367 -0.365 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001597204403 1017189398 /nfs/dbraw/zinc/18/93/98/1017189398.db2.gz VNWNOHOPZIOHFA-UHFFFAOYSA-N -1 0 316.339 -0.231 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)N[C@H](CF)C(=O)[O-])CC1 ZINC001597215641 1017189449 /nfs/dbraw/zinc/18/94/49/1017189449.db2.gz BPPQVMGVNGDOJI-SECBINFHSA-N -1 0 310.347 -0.413 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001597210208 1017189546 /nfs/dbraw/zinc/18/95/46/1017189546.db2.gz OLIVWOAGSKQQFZ-QMMMGPOBSA-N -1 0 315.413 -0.160 20 0 DBADRM CCS(=O)(=O)NCC(=O)N(C)[C@@H](COC1CCC1)C(=O)[O-] ZINC001597224561 1017191264 /nfs/dbraw/zinc/19/12/64/1017191264.db2.gz CVUYBHYHZJQQIJ-JTQLQIEISA-N -1 0 322.383 -0.594 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001597216072 1017191317 /nfs/dbraw/zinc/19/13/17/1017191317.db2.gz SJXFHCRQRLSADD-CABZTGNLSA-N -1 0 306.384 -0.163 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001597223964 1017191331 /nfs/dbraw/zinc/19/13/31/1017191331.db2.gz FJDNKQINTCGXOU-IVZWLZJFSA-N -1 0 306.384 -0.117 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001597216250 1017191486 /nfs/dbraw/zinc/19/14/86/1017191486.db2.gz YLVODXWHQFKYLY-UWVGGRQHSA-N -1 0 322.383 -0.594 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-] ZINC001597224184 1017191682 /nfs/dbraw/zinc/19/16/82/1017191682.db2.gz NCAGPIVHGJKWGJ-ZJUUUORDSA-N -1 0 324.399 -0.349 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001597224314 1017191717 /nfs/dbraw/zinc/19/17/17/1017191717.db2.gz RGZTWKZXLNIQCO-LXUNUROVSA-N -1 0 318.395 -0.070 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@@](C)(COC)CC(=O)[O-] ZINC001597224109 1017191805 /nfs/dbraw/zinc/19/18/05/1017191805.db2.gz KVPDPBIXDNHYIX-LDYMZIIASA-N -1 0 310.372 -0.690 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC001597225819 1017192847 /nfs/dbraw/zinc/19/28/47/1017192847.db2.gz WIRXXOXCCIBFGC-JOYOIKCWSA-N -1 0 304.368 -0.219 20 0 DBADRM CC[S@](=O)CCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001597248759 1017193431 /nfs/dbraw/zinc/19/34/31/1017193431.db2.gz CABPQPSKWAHLJQ-LXGOIASLSA-N -1 0 304.368 -0.806 20 0 DBADRM CN([C@@H]1CCOC1)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591036659 1016374205 /nfs/dbraw/zinc/37/42/05/1016374205.db2.gz AIFQUPDWVFQMJZ-MRVPVSSYSA-N -1 0 310.339 -0.329 20 0 DBADRM CN(C)c1cnc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)cn1 ZINC001591033729 1016374864 /nfs/dbraw/zinc/37/48/64/1016374864.db2.gz LMLUBHNHCWDKBP-UHFFFAOYSA-N -1 0 300.286 -0.302 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@@H]2CCN(C)C2=O)c1[O-] ZINC001494678611 1016375586 /nfs/dbraw/zinc/37/55/86/1016375586.db2.gz MAHFKUABLODOCK-APPZFPTMSA-N -1 0 323.353 -0.863 20 0 DBADRM CN([C@H]1CCOC1)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591036660 1016375982 /nfs/dbraw/zinc/37/59/82/1016375982.db2.gz AIFQUPDWVFQMJZ-QMMMGPOBSA-N -1 0 310.339 -0.329 20 0 DBADRM CCc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)nn1C ZINC001597426472 1017199554 /nfs/dbraw/zinc/19/95/54/1017199554.db2.gz IWWMXGDWCVNLCI-NXEZZACHSA-N -1 0 309.322 -0.072 20 0 DBADRM CCc1ccnc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC001597622462 1017200472 /nfs/dbraw/zinc/20/04/72/1017200472.db2.gz VBJDLIALKJDWGI-NSHDSACASA-N -1 0 312.347 -0.032 20 0 DBADRM CN(CC(C)(C)O)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591044366 1016383088 /nfs/dbraw/zinc/38/30/88/1016383088.db2.gz LPBZCPYZRPGARZ-UHFFFAOYSA-N -1 0 312.355 -0.347 20 0 DBADRM CCc1ccc(NC(=O)C(=O)NC[C@@H](O)CO)c(C(=O)[O-])c1 ZINC001597537040 1017200969 /nfs/dbraw/zinc/20/09/69/1017200969.db2.gz JMTGYJLDTINZSS-SECBINFHSA-N -1 0 310.306 -0.645 20 0 DBADRM CN(CCNC(=O)C(C)(C)F)c1ccnc(-c2nnn[n-]2)n1 ZINC001591095731 1016388701 /nfs/dbraw/zinc/38/87/01/1016388701.db2.gz BUJBXTUUCFMOCO-UHFFFAOYSA-N -1 0 308.321 -0.043 20 0 DBADRM CCc1cccnc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001597621275 1017202170 /nfs/dbraw/zinc/20/21/70/1017202170.db2.gz HXNLEMIWGMJIKW-SNVBAGLBSA-N -1 0 312.347 -0.032 20 0 DBADRM CC(C)C[C@@H](C(=O)[O-])N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001591120797 1016390796 /nfs/dbraw/zinc/39/07/96/1016390796.db2.gz ONUVXKLHNCKJGL-MNOVXSKESA-N -1 0 320.411 -0.279 20 0 DBADRM CC(C)C[C@H](C(N)=O)C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001591124312 1016391984 /nfs/dbraw/zinc/39/19/84/1016391984.db2.gz NCPLYYGZLSITMX-SECBINFHSA-N -1 0 323.353 -0.728 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC[C@@]2(CCOC2=O)C1 ZINC001420705278 1000212192 /nfs/dbraw/zinc/21/21/92/1000212192.db2.gz LDAKVRAUZAWRQI-CQSZACIVSA-N -1 0 302.290 -0.198 20 0 DBADRM CN(CCNC(=O)Cc1ccoc1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001408554874 1000221407 /nfs/dbraw/zinc/22/14/07/1000221407.db2.gz GRSGSNMTNRLZFN-UHFFFAOYSA-N -1 0 323.309 -0.900 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C(=O)[O-] ZINC001591147066 1016395183 /nfs/dbraw/zinc/39/51/83/1016395183.db2.gz YXHMUKCRNSTOKF-IRCOFANPSA-N -1 0 301.339 -0.738 20 0 DBADRM Cc1c[nH]cc1C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001408574470 1000230741 /nfs/dbraw/zinc/23/07/41/1000230741.db2.gz PSZIILAEALMFAF-UHFFFAOYSA-N -1 0 322.325 -0.786 20 0 DBADRM CC(C)[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001420753271 1000232081 /nfs/dbraw/zinc/23/20/81/1000232081.db2.gz MWJGPLKAOXFMNJ-JTQLQIEISA-N -1 0 302.352 -0.214 20 0 DBADRM CC(C)C[C@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)[O-] ZINC001591149156 1016396981 /nfs/dbraw/zinc/39/69/81/1016396981.db2.gz CVFAZHUPMXYQDQ-SNVBAGLBSA-N -1 0 323.415 -0.412 20 0 DBADRM CN(Cc1cc[nH]n1)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591132836 1016397384 /nfs/dbraw/zinc/39/73/84/1016397384.db2.gz CMLUCUIPBYEWGY-UHFFFAOYSA-N -1 0 317.317 -0.977 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)c1ccoc1 ZINC001408645602 1000257678 /nfs/dbraw/zinc/25/76/78/1000257678.db2.gz XSLKEJDXCXSSKM-UHFFFAOYSA-N -1 0 309.282 -0.829 20 0 DBADRM CN1CC[C@H](CC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)C1=O ZINC001420856668 1000269259 /nfs/dbraw/zinc/26/92/59/1000269259.db2.gz PGTVAZABYRTOHM-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1cc(C(=O)NC2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)no1 ZINC001420866436 1000274192 /nfs/dbraw/zinc/27/41/92/1000274192.db2.gz FOKSUBCXTHBFCB-UHFFFAOYSA-N -1 0 320.309 -0.159 20 0 DBADRM CN(Cc1cnn(C)c1)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001591151217 1016399505 /nfs/dbraw/zinc/39/95/05/1016399505.db2.gz HTEFUIPWERHIBQ-UHFFFAOYSA-N -1 0 300.326 -0.149 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)Cc1nnc[nH]1 ZINC001408731883 1000285092 /nfs/dbraw/zinc/28/50/92/1000285092.db2.gz NNAJKDFFNFIMTN-UHFFFAOYSA-N -1 0 321.341 -0.637 20 0 DBADRM CN1C(=O)CN(c2nc(-c3nnn[n-]3)c(Cl)s2)CC1=O ZINC001591165366 1016400636 /nfs/dbraw/zinc/40/06/36/1016400636.db2.gz IAIMZEIJYLPHEW-UHFFFAOYSA-N -1 0 313.730 -0.218 20 0 DBADRM CC(C)C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)C(N)=O ZINC001591163044 1016401186 /nfs/dbraw/zinc/40/11/86/1016401186.db2.gz UOASCTXRVCEMOB-VIFPVBQESA-N -1 0 309.326 -0.397 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@@H](O)C[C@]1(C)CO)C(=O)[O-] ZINC001591167662 1016401935 /nfs/dbraw/zinc/40/19/35/1016401935.db2.gz KLIAHSICEPSMEC-COPLHBTASA-N -1 0 302.371 -0.581 20 0 DBADRM CN1C[C@H](C(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)NC1=O ZINC001591167017 1016402408 /nfs/dbraw/zinc/40/24/08/1016402408.db2.gz IIZQBEXFRGHYJQ-SECBINFHSA-N -1 0 303.282 -0.700 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NCC1(NCc2cnon2)CC1 ZINC001420966737 1000314960 /nfs/dbraw/zinc/31/49/60/1000314960.db2.gz CKLXHKVGOCAKTE-UHFFFAOYSA-N -1 0 304.310 -0.074 20 0 DBADRM C[C@H](O)CN1CC(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC001421100837 1000364299 /nfs/dbraw/zinc/36/42/99/1000364299.db2.gz MVGQQANGBGESST-ZETCQYMHSA-N -1 0 311.304 -0.375 20 0 DBADRM CC(=O)N[C@](C)(C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1)C(C)C ZINC001421108398 1000366507 /nfs/dbraw/zinc/36/65/07/1000366507.db2.gz ZRQILJKKDQYPHX-AWEZNQCLSA-N -1 0 324.385 -0.639 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(C(=O)[C@@H]2CC23CC3)C1 ZINC001409166181 1000388087 /nfs/dbraw/zinc/38/80/87/1000388087.db2.gz WFPJVDDFWHYPKI-VIFPVBQESA-N -1 0 321.337 -0.936 20 0 DBADRM CC(C)CC(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001409165693 1000388128 /nfs/dbraw/zinc/38/81/28/1000388128.db2.gz GNRZQMTXADQBEV-UHFFFAOYSA-N -1 0 311.342 -0.690 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(C(=O)[C@H]2CC23CC3)C1 ZINC001409166180 1000388762 /nfs/dbraw/zinc/38/87/62/1000388762.db2.gz WFPJVDDFWHYPKI-SECBINFHSA-N -1 0 321.337 -0.936 20 0 DBADRM CC(C)C[C@@H](NC(=O)Cn1nc2cnccn2c1=O)C(=O)[O-] ZINC001591177705 1016410244 /nfs/dbraw/zinc/41/02/44/1016410244.db2.gz IPHINMNGGDXDSB-SECBINFHSA-N -1 0 307.310 -0.494 20 0 DBADRM CC[C@@H](CNC(=O)CNC(C)=O)NC(=O)c1[nH]nc(C)c1[O-] ZINC001409224030 1000401905 /nfs/dbraw/zinc/40/19/05/1000401905.db2.gz UFQOOUXJMDGKBD-VIFPVBQESA-N -1 0 311.342 -0.816 20 0 DBADRM COC[C@H](C)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001421217483 1000410698 /nfs/dbraw/zinc/41/06/98/1000410698.db2.gz OQLZVJZBOSAQSK-VWYCJHECSA-N -1 0 309.370 -0.032 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H](F)CC ZINC001409400617 1000449524 /nfs/dbraw/zinc/44/95/24/1000449524.db2.gz QBAHNBBYDNONHJ-SFYZADRCSA-N -1 0 317.321 -0.552 20 0 DBADRM CC(C)C[C@@H](O)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001591183074 1016413649 /nfs/dbraw/zinc/41/36/49/1016413649.db2.gz DOWZMJFXQOFZPT-MNOVXSKESA-N -1 0 300.355 -0.167 20 0 DBADRM Cc1nn(C)cc1CC(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001409568630 1000474710 /nfs/dbraw/zinc/47/47/10/1000474710.db2.gz QUEUSHMMUZDQGP-VIFPVBQESA-N -1 0 321.385 -0.269 20 0 DBADRM C[C@H](CNC(=O)[C@]1(C)CCC(=O)NC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001409610982 1000485766 /nfs/dbraw/zinc/48/57/66/1000485766.db2.gz PNGGPHWCAUIENP-YMTOWFKASA-N -1 0 324.385 -0.637 20 0 DBADRM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)NC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001409610973 1000486309 /nfs/dbraw/zinc/48/63/09/1000486309.db2.gz PNGGPHWCAUIENP-LKFCYVNXSA-N -1 0 324.385 -0.637 20 0 DBADRM CC(C)C(=O)NCC1(O)CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001421415682 1000494810 /nfs/dbraw/zinc/49/48/10/1000494810.db2.gz ZVXJJPFYGSCNOJ-UHFFFAOYSA-N -1 0 319.365 -0.659 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C/C=C/Cl ZINC001409659306 1000499989 /nfs/dbraw/zinc/49/99/89/1000499989.db2.gz RAOWMUYIAKVVRN-RTMURIBGSA-N -1 0 303.750 -0.122 20 0 DBADRM COC(=O)CCNC(=O)Cn1[n-]c(=O)c(Cl)c(Cl)c1=O ZINC001421442445 1000509590 /nfs/dbraw/zinc/50/95/90/1000509590.db2.gz WOOCDOISZKJTIC-UHFFFAOYSA-N -1 0 324.120 -0.065 20 0 DBADRM CC1CC(C(=O)NC2(CCO)CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001409711713 1000518037 /nfs/dbraw/zinc/51/80/37/1000518037.db2.gz PXILZMUVLBGGJV-UHFFFAOYSA-N -1 0 309.370 -0.391 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591194679 1016420209 /nfs/dbraw/zinc/42/02/09/1016420209.db2.gz DPVDOXHQDXFVBA-SNVBAGLBSA-N -1 0 318.337 -0.367 20 0 DBADRM NC(=O)CN(Cc1cc(=O)n2[n-]c(N)nc2n1)C1CCCC1 ZINC001421497461 1000533639 /nfs/dbraw/zinc/53/36/39/1000533639.db2.gz ZIGHXFRGCYNKIL-UHFFFAOYSA-N -1 0 305.342 -0.770 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591194678 1016416837 /nfs/dbraw/zinc/41/68/37/1016416837.db2.gz DPVDOXHQDXFVBA-JTQLQIEISA-N -1 0 318.337 -0.367 20 0 DBADRM C[C@H](NC(=O)C[C@@H]1CCC(=O)N1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001409903123 1000547681 /nfs/dbraw/zinc/54/76/81/1000547681.db2.gz HMTIODRCMPHACH-WPRPVWTQSA-N -1 0 322.369 -0.885 20 0 DBADRM CO[C@H](C)CC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001421566668 1000551421 /nfs/dbraw/zinc/55/14/21/1000551421.db2.gz ZMHXPAQZASYFMS-MXWKQRLJSA-N -1 0 309.370 -0.175 20 0 DBADRM C[C@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CN(CCF)C1 ZINC001409938274 1000555922 /nfs/dbraw/zinc/55/59/22/1000555922.db2.gz XYFIUIUDZYUUGF-QMMMGPOBSA-N -1 0 313.333 -0.379 20 0 DBADRM O=C(N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccoc1 ZINC001421605490 1000563355 /nfs/dbraw/zinc/56/33/55/1000563355.db2.gz WSDFDNGZNQLRAX-AWEZNQCLSA-N -1 0 321.337 -0.140 20 0 DBADRM CC(C)OCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001421795480 1000628489 /nfs/dbraw/zinc/62/84/89/1000628489.db2.gz QPDZRIBJHSFVAZ-SNVBAGLBSA-N -1 0 313.358 -0.748 20 0 DBADRM CNC(=O)CCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591208082 1016430480 /nfs/dbraw/zinc/43/04/80/1016430480.db2.gz VUYHXFFSTCSMDS-UHFFFAOYSA-N -1 0 314.327 -0.784 20 0 DBADRM CN(CCCN(C)C(=O)c1n[nH]cc1F)Cc1n[nH]c(=O)[n-]1 ZINC001421872893 1000652301 /nfs/dbraw/zinc/65/23/01/1000652301.db2.gz GJMQASNWDJOLTR-UHFFFAOYSA-N -1 0 311.321 -0.033 20 0 DBADRM CC(C)C[C@H]1C(=O)NCCN1Cn1nc(C(=O)[O-])ccc1=O ZINC001591205445 1016426116 /nfs/dbraw/zinc/42/61/16/1016426116.db2.gz HOKOOVWTVKFPDD-NSHDSACASA-N -1 0 308.338 -0.255 20 0 DBADRM C[C@H](CNC(=O)C1CC(C)C1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001410251000 1000696751 /nfs/dbraw/zinc/69/67/51/1000696751.db2.gz NAEGINOUOXDTQI-ZUEIMRROSA-N -1 0 309.326 -0.437 20 0 DBADRM C[C@H](CNC(=O)C1(CF)CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001410266482 1000701225 /nfs/dbraw/zinc/70/12/25/1000701225.db2.gz QSOPOLAEYNTPLL-SSDOTTSWSA-N -1 0 315.305 -0.940 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@@H](C)C1CC1 ZINC001410344820 1000731427 /nfs/dbraw/zinc/73/14/27/1000731427.db2.gz KWPFDFOYAHCUOK-IUCAKERBSA-N -1 0 322.365 -0.234 20 0 DBADRM CSCC(=O)NC[C@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001410367512 1000740876 /nfs/dbraw/zinc/74/08/76/1000740876.db2.gz QSBYJRWKNBKGND-QMMMGPOBSA-N -1 0 323.378 -0.380 20 0 DBADRM Cc1ncoc1CN(C)CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001422176919 1000753220 /nfs/dbraw/zinc/75/32/20/1000753220.db2.gz HUTRZXCQLSTNEH-UHFFFAOYSA-N -1 0 322.325 -0.217 20 0 DBADRM O=C(NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CC12CC2 ZINC001422189208 1000758435 /nfs/dbraw/zinc/75/84/35/1000758435.db2.gz OENZHNPBFMQMGT-JTQLQIEISA-N -1 0 321.381 -0.247 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001410439463 1000769416 /nfs/dbraw/zinc/76/94/16/1000769416.db2.gz ASNNGZBULWUUSQ-RBXMUDONSA-N -1 0 321.337 -0.437 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC12CC2 ZINC001410471533 1000780519 /nfs/dbraw/zinc/78/05/19/1000780519.db2.gz OSADRFNCKMPSJH-BQBZGAKWSA-N -1 0 307.310 -0.683 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNCc2ncccn2)c1[O-] ZINC001422284312 1000802829 /nfs/dbraw/zinc/80/28/29/1000802829.db2.gz QTRIIQZFACEWEX-VIFPVBQESA-N -1 0 306.326 -0.906 20 0 DBADRM O=C(CC1CCC1)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001410569391 1000808420 /nfs/dbraw/zinc/80/84/20/1000808420.db2.gz WRYWUCFVPJIAPS-VIFPVBQESA-N -1 0 321.337 -0.196 20 0 DBADRM COC(=O)C(C)(C)C(=O)Cn1cnc(-c2nnn[n-]2)cc1=O ZINC001591226221 1016442098 /nfs/dbraw/zinc/44/20/98/1016442098.db2.gz PZBQEKYYSRNZLF-UHFFFAOYSA-N -1 0 306.282 -0.808 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2nccnc2C)c1[O-] ZINC001410602302 1000826134 /nfs/dbraw/zinc/82/61/34/1000826134.db2.gz VTHVSKIDRSTBTQ-SNVBAGLBSA-N -1 0 320.353 -0.597 20 0 DBADRM Cc1oncc1CN[C@H](CO)CNC(=O)c1c(C)nc[nH]c1=O ZINC001410726282 1000878296 /nfs/dbraw/zinc/87/82/96/1000878296.db2.gz KCTQKMOOQYNRFY-NSHDSACASA-N -1 0 321.337 -0.332 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)o2)CN1C ZINC001591247372 1016448672 /nfs/dbraw/zinc/44/86/72/1016448672.db2.gz BMEGADDSILJIRP-SFYZADRCSA-N -1 0 321.293 -0.138 20 0 DBADRM Cc1cnn(CC(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)c1 ZINC001422474932 1000879829 /nfs/dbraw/zinc/87/98/29/1000879829.db2.gz MILIVYIHWIWGTI-JTQLQIEISA-N -1 0 307.358 -0.348 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@]12C[C@H]1CCCC2 ZINC001410732133 1000881952 /nfs/dbraw/zinc/88/19/52/1000881952.db2.gz QUNMABFDLBVUKK-GPCCPHFNSA-N -1 0 309.370 -0.343 20 0 DBADRM CC(=O)N[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)C1CCCC1 ZINC001410979145 1000979236 /nfs/dbraw/zinc/97/92/36/1000979236.db2.gz YWGQKTNUVIFZCX-LBPRGKRZSA-N -1 0 322.365 -0.089 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591258902 1016455109 /nfs/dbraw/zinc/45/51/09/1016455109.db2.gz CKZNHEGXRSMAJN-QMMMGPOBSA-N -1 0 321.293 -0.774 20 0 DBADRM CO[C@@H](C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001422723660 1000985595 /nfs/dbraw/zinc/98/55/95/1000985595.db2.gz QEBDZTNQKLJQTE-QPUJVOFHSA-N -1 0 309.370 -0.128 20 0 DBADRM COC(=O)CN(C)C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001591266696 1016457818 /nfs/dbraw/zinc/45/78/18/1016457818.db2.gz RWFYYWNJEPSNGB-UHFFFAOYSA-N -1 0 306.282 -0.479 20 0 DBADRM CC(F)(F)C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001422810260 1001018248 /nfs/dbraw/zinc/01/82/48/1001018248.db2.gz YROJKWGXCCAZRY-WHUPJOBBSA-N -1 0 301.297 -0.041 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@](O)(CNC(=O)C(F)F)C2)c1[O-] ZINC001411149206 1001041052 /nfs/dbraw/zinc/04/10/52/1001041052.db2.gz LQYAPECLRXEMCO-LBPRGKRZSA-N -1 0 318.280 -0.618 20 0 DBADRM CCn1cc(CC(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001422904946 1001056162 /nfs/dbraw/zinc/05/61/62/1001056162.db2.gz AAKAEQBMUWBUSK-JTQLQIEISA-N -1 0 321.385 -0.094 20 0 DBADRM CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)c1cnnn1C ZINC001411188889 1001069050 /nfs/dbraw/zinc/06/90/50/1001069050.db2.gz JJWPKAQIIPUESK-UHFFFAOYSA-N -1 0 322.373 -0.379 20 0 DBADRM COCCN(CCNC(=O)[C@@H]1CCCO1)Cc1n[nH]c(=O)[n-]1 ZINC001411215346 1001074601 /nfs/dbraw/zinc/07/46/01/1001074601.db2.gz IRSNLODNBVWNEA-JTQLQIEISA-N -1 0 313.358 -0.746 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC001411334426 1001098811 /nfs/dbraw/zinc/09/88/11/1001098811.db2.gz ZTJRTGJHVLJURZ-UHFFFAOYSA-N -1 0 322.350 -0.576 20 0 DBADRM COC(=O)[C@H](C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591282112 1016465534 /nfs/dbraw/zinc/46/55/34/1016465534.db2.gz CLVUTKBFXPUJFZ-LURJTMIESA-N -1 0 315.311 -0.358 20 0 DBADRM Cc1nnc(CC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)o1 ZINC001423087018 1001114110 /nfs/dbraw/zinc/11/41/10/1001114110.db2.gz RPJFMXMXXFUHSR-MRVPVSSYSA-N -1 0 307.314 -0.865 20 0 DBADRM CC(C)[C@H](C(=O)N(C)c1nnn[n-]1)N1CCCS1(=O)=O ZINC001411480484 1001132850 /nfs/dbraw/zinc/13/28/50/1001132850.db2.gz QCKUAJGHJDXPMG-MRVPVSSYSA-N -1 0 302.360 -0.777 20 0 DBADRM C[C@H]1C[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c2ncnn21 ZINC001411481726 1001134689 /nfs/dbraw/zinc/13/46/89/1001134689.db2.gz SRRIWSRKXQJZBT-CBAPKCEASA-N -1 0 314.309 -0.515 20 0 DBADRM COC(=O)c1cc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)n(C)n1 ZINC001591286909 1016472611 /nfs/dbraw/zinc/47/26/11/1016472611.db2.gz IUXBFADKIBQLSI-UHFFFAOYSA-N -1 0 317.269 -0.638 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC12CCC2 ZINC001494890739 1016472954 /nfs/dbraw/zinc/47/29/54/1016472954.db2.gz LIOPYQOSBKDWCJ-YUMQZZPRSA-N -1 0 321.337 -0.293 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@H]1CC12CCC2 ZINC001494890737 1016473175 /nfs/dbraw/zinc/47/31/75/1016473175.db2.gz LIOPYQOSBKDWCJ-JGVFFNPUSA-N -1 0 321.337 -0.293 20 0 DBADRM CCc1nnsc1C(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597741718 1017206739 /nfs/dbraw/zinc/20/67/39/1017206739.db2.gz RRMATFCYUHUHNE-YUMQZZPRSA-N -1 0 324.362 -0.238 20 0 DBADRM CC(C)CN(CC(=O)[O-])S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001591303464 1016474063 /nfs/dbraw/zinc/47/40/63/1016474063.db2.gz ZDBYDWYQDRORGT-LLVKDONJSA-N -1 0 308.400 -0.311 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC[C@@H]1C(=O)Nc2ccccc21 ZINC001411619089 1001179712 /nfs/dbraw/zinc/17/97/12/1001179712.db2.gz QDCRBLOLFGOULK-VIFPVBQESA-N -1 0 317.305 -0.069 20 0 DBADRM O=C(CCc1cccnc1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001423243433 1001199324 /nfs/dbraw/zinc/19/93/24/1001199324.db2.gz KPSIBYMOUPXQMZ-LLVKDONJSA-N -1 0 320.353 -0.895 20 0 DBADRM O=C(CCc1cccnc1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001423243436 1001199551 /nfs/dbraw/zinc/19/95/51/1001199551.db2.gz KPSIBYMOUPXQMZ-NSHDSACASA-N -1 0 320.353 -0.895 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CCN(CC(F)F)CC1 ZINC001411712745 1001203159 /nfs/dbraw/zinc/20/31/59/1001203159.db2.gz RHIWVPCQOVXPNT-UHFFFAOYSA-N -1 0 305.285 -0.465 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C1(C(F)F)CCC1 ZINC001423248660 1001203492 /nfs/dbraw/zinc/20/34/92/1001203492.db2.gz GBVDKWVSWDOJHI-SSDOTTSWSA-N -1 0 319.312 -0.488 20 0 DBADRM COC(C)(C)C(=O)COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591314637 1016474884 /nfs/dbraw/zinc/47/48/84/1016474884.db2.gz KWTUMAGVDLTZEG-SSDOTTSWSA-N -1 0 323.313 -0.444 20 0 DBADRM CC1(C)CCC[C@H]1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001423264089 1001216968 /nfs/dbraw/zinc/21/69/68/1001216968.db2.gz SKJQNSLMAWSZTC-UWVGGRQHSA-N -1 0 311.386 -0.097 20 0 DBADRM COC(C)(C)[C@@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001591317348 1016475150 /nfs/dbraw/zinc/47/51/50/1016475150.db2.gz YWJAGFHXOBRBQQ-SSDOTTSWSA-N -1 0 323.357 -0.511 20 0 DBADRM CN(C)[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)c1cncn1C ZINC001411772222 1001222594 /nfs/dbraw/zinc/22/25/94/1001222594.db2.gz HFFRSINETNMQNP-QWRGUYRKSA-N -1 0 320.357 -0.864 20 0 DBADRM CCn1cnnc1CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001411782125 1001224917 /nfs/dbraw/zinc/22/49/17/1001224917.db2.gz YDKONPRZRRLNGQ-UHFFFAOYSA-N -1 0 316.325 -0.959 20 0 DBADRM C[C@@H](C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C1CCCC1 ZINC001423286262 1001231125 /nfs/dbraw/zinc/23/11/25/1001231125.db2.gz XROUTAGESVSEIR-MWLCHTKSSA-N -1 0 311.386 -0.097 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)CCCc2nnn[n-]2)CC1 ZINC001411875736 1001239650 /nfs/dbraw/zinc/23/96/50/1001239650.db2.gz HPYQPOTVHZLLSK-UHFFFAOYSA-N -1 0 301.372 -0.537 20 0 DBADRM O=C(N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1n[nH]c(=O)[n-]c1=O ZINC001411886746 1001242101 /nfs/dbraw/zinc/24/21/01/1001242101.db2.gz FKCHWHWUKSPYBM-ZJUUUORDSA-N -1 0 323.353 -0.344 20 0 DBADRM O=C(NC[C@@H](O)COc1ccccc1)c1n[nH]c(=O)[n-]c1=O ZINC001411895828 1001242732 /nfs/dbraw/zinc/24/27/32/1001242732.db2.gz HSHJZMAVEPGLQX-MRVPVSSYSA-N -1 0 306.278 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC001411892259 1001243659 /nfs/dbraw/zinc/24/36/59/1001243659.db2.gz XXXFAFLVTSDVQK-MRVPVSSYSA-N -1 0 322.300 -0.382 20 0 DBADRM Cn1[nH]cnc1=NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC001411935492 1001256058 /nfs/dbraw/zinc/25/60/58/1001256058.db2.gz FJSAOBZVBPFYQZ-UHFFFAOYSA-N -1 0 313.314 0.000 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](c3nnn[n-]3)C2)C1 ZINC001411941020 1001257851 /nfs/dbraw/zinc/25/78/51/1001257851.db2.gz XVJDKIDFRGLFKH-VHSXEESVSA-N -1 0 307.358 -0.304 20 0 DBADRM CO[C@@H](C)C(=O)NCCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001591320065 1016478771 /nfs/dbraw/zinc/47/87/71/1016478771.db2.gz JQBCXLYIXIAAIC-QMMMGPOBSA-N -1 0 306.330 -0.968 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NCc2nc(=O)o[n-]2)s1 ZINC001411951207 1001260322 /nfs/dbraw/zinc/26/03/22/1001260322.db2.gz KTCBCUPDIMGYIN-UHFFFAOYSA-N -1 0 303.321 -0.242 20 0 DBADRM CO[C@H](C)[C@@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001591324085 1016478842 /nfs/dbraw/zinc/47/88/42/1016478842.db2.gz JFZRBRFHOFUPFJ-RNFRBKRXSA-N -1 0 309.330 -0.901 20 0 DBADRM CO[C@@H](C)Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C2CC2)c1=O ZINC001591325315 1016478900 /nfs/dbraw/zinc/47/89/00/1016478900.db2.gz YOFNUEMNIRFRMR-ZETCQYMHSA-N -1 0 306.326 -0.132 20 0 DBADRM CO[C@H](C)c1noc(Cn2cnc(-c3nnn[n-]3)cc2=O)n1 ZINC001591325811 1016479503 /nfs/dbraw/zinc/47/95/03/1016479503.db2.gz ZOVHDCNRARYPIK-ZCFIWIBFSA-N -1 0 304.270 -0.438 20 0 DBADRM C[C@H](CN(C)C(=O)C[C@H]1CCS(=O)(=O)C1)c1nnn[n-]1 ZINC001411992590 1001271242 /nfs/dbraw/zinc/27/12/42/1001271242.db2.gz SLSWGLCHQJYQMH-RKDXNWHRSA-N -1 0 301.372 -0.414 20 0 DBADRM C[C@@H](CN(C)C(=O)C[C@H]1CCS(=O)(=O)C1)c1nnn[n-]1 ZINC001411992570 1001271732 /nfs/dbraw/zinc/27/17/32/1001271732.db2.gz SLSWGLCHQJYQMH-DTWKUNHWSA-N -1 0 301.372 -0.414 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC001412015596 1001278964 /nfs/dbraw/zinc/27/89/64/1001278964.db2.gz AIKVOVACSBTCGN-HTQZYQBOSA-N -1 0 322.321 -0.320 20 0 DBADRM CC1SC(C(=O)NCCC(=O)[N-]S(C)(=O)=O)=NC1=O ZINC001412022303 1001280644 /nfs/dbraw/zinc/28/06/44/1001280644.db2.gz AVHBUGAKCWPZEZ-UHFFFAOYSA-N -1 0 307.353 -0.647 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)CCS(=O)(=O)C1 ZINC001412020804 1001280769 /nfs/dbraw/zinc/28/07/69/1001280769.db2.gz ADHBVQRNAMYNIM-SECBINFHSA-N -1 0 324.362 -0.471 20 0 DBADRM CCO[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@@H]1CCOC1 ZINC001412028514 1001282072 /nfs/dbraw/zinc/28/20/72/1001282072.db2.gz MVSPTDOPEHFTIT-KOLCDFICSA-N -1 0 322.383 -0.990 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc2cccn2cn1 ZINC001412026862 1001282519 /nfs/dbraw/zinc/28/25/19/1001282519.db2.gz LDJIMTOFIAGVLN-UHFFFAOYSA-N -1 0 310.335 -0.470 20 0 DBADRM CO[C@H]([C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C1CC1 ZINC001591327065 1016483569 /nfs/dbraw/zinc/48/35/69/1016483569.db2.gz PUVLKPUFEZUMRL-IMTBSYHQSA-N -1 0 321.341 -0.109 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cccnc1-c1nnn[n-]1)C1CC1 ZINC001591331353 1016483864 /nfs/dbraw/zinc/48/38/64/1016483864.db2.gz TYMASOTYHFTFQD-SECBINFHSA-N -1 0 324.366 -0.035 20 0 DBADRM O=C(CCCn1cccn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412057729 1001290578 /nfs/dbraw/zinc/29/05/78/1001290578.db2.gz ODZHGYKBLGYLHW-UHFFFAOYSA-N -1 0 305.342 -0.313 20 0 DBADRM Cn1[nH]c(C2CCN(C(=O)CCCc3nnn[n-]3)CC2)nc1=N ZINC001412072343 1001294361 /nfs/dbraw/zinc/29/43/61/1001294361.db2.gz LTLUAUFEWTWQIM-UHFFFAOYSA-N -1 0 319.373 -0.530 20 0 DBADRM CS(=O)(=O)[C@H]1CCCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001412074622 1001294625 /nfs/dbraw/zinc/29/46/25/1001294625.db2.gz NIOCFRASQGSZET-ZETCQYMHSA-N -1 0 316.339 -0.678 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001412072659 1001294878 /nfs/dbraw/zinc/29/48/78/1001294878.db2.gz IKUUOLKHXUFNQO-BJOHPYRUSA-N -1 0 314.301 -0.068 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001412072661 1001294901 /nfs/dbraw/zinc/29/49/01/1001294901.db2.gz IKUUOLKHXUFNQO-PSLIRLAXSA-N -1 0 314.301 -0.068 20 0 DBADRM CO[C@@H]1CC[C@@H]1N(C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591353879 1016486148 /nfs/dbraw/zinc/48/61/48/1016486148.db2.gz MFWFSFTWWBWZOV-DTWKUNHWSA-N -1 0 321.345 -0.723 20 0 DBADRM O=C(NCc1cc(Br)no1)c1n[nH]c(=O)[n-]c1=O ZINC001412152198 1001317138 /nfs/dbraw/zinc/31/71/38/1001317138.db2.gz UQYQNYBBQDXOQW-UHFFFAOYSA-N -1 0 316.071 -0.037 20 0 DBADRM Cc1cc(=O)n2[nH]c(NC(=O)[C@@H]3CCS(=O)(=O)C3)nc2n1 ZINC001412158248 1001317630 /nfs/dbraw/zinc/31/76/30/1001317630.db2.gz HSFNBHLNBYWMPQ-SSDOTTSWSA-N -1 0 311.323 -0.901 20 0 DBADRM CO[C@H]1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001591358709 1016486464 /nfs/dbraw/zinc/48/64/64/1016486464.db2.gz YJWSJHWDEZPINO-IUCAKERBSA-N -1 0 306.330 -0.658 20 0 DBADRM CN(C)C(=O)NC1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001412163110 1001319851 /nfs/dbraw/zinc/31/98/51/1001319851.db2.gz VYEFRFAHBAOPNC-UHFFFAOYSA-N -1 0 309.374 -0.215 20 0 DBADRM CN(C(=O)CCCc1nnn[n-]1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001412168300 1001320669 /nfs/dbraw/zinc/32/06/69/1001320669.db2.gz QPUCCQHRTCXQMU-VIFPVBQESA-N -1 0 316.387 -0.985 20 0 DBADRM C[C@H](c1ccccc1)[C@H](NC(=O)CCc1nnn[n-]1)C(N)=O ZINC001412178747 1001324355 /nfs/dbraw/zinc/32/43/55/1001324355.db2.gz GMZWWAKGEFOPED-RNCFNFMXSA-N -1 0 302.338 -0.094 20 0 DBADRM C[C@@H](c1ccccc1)[C@@H](NC(=O)CCc1nnn[n-]1)C(N)=O ZINC001412178758 1001324805 /nfs/dbraw/zinc/32/48/05/1001324805.db2.gz GMZWWAKGEFOPED-TVQRCGJNSA-N -1 0 302.338 -0.094 20 0 DBADRM C[C@@]1(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CCOC1=O ZINC001412201824 1001329975 /nfs/dbraw/zinc/32/99/75/1001329975.db2.gz FBBRUVYWIZDOCY-CYBMUJFWSA-N -1 0 302.294 -0.490 20 0 DBADRM CO[C@@H](COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001591333596 1016482204 /nfs/dbraw/zinc/48/22/04/1016482204.db2.gz CQFLTBSZMJTMEW-APPZFPTMSA-N -1 0 307.314 -0.013 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC001412227231 1001340650 /nfs/dbraw/zinc/34/06/50/1001340650.db2.gz SBLQHBOWOVECGJ-UHFFFAOYSA-N -1 0 308.319 -0.552 20 0 DBADRM CC(C)(C)[C@H](NC(=O)CCNS(C)(=O)=O)c1nc(=O)o[n-]1 ZINC001412266673 1001352568 /nfs/dbraw/zinc/35/25/68/1001352568.db2.gz HBRYWJKSPITRDF-MRVPVSSYSA-N -1 0 320.371 -0.494 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001423512107 1001356385 /nfs/dbraw/zinc/35/63/85/1001356385.db2.gz NXWWEWKEMIQPMI-SECBINFHSA-N -1 0 323.357 -0.893 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001412293497 1001359188 /nfs/dbraw/zinc/35/91/88/1001359188.db2.gz UTJMRTMGIYOWEN-UHFFFAOYSA-N -1 0 305.356 -0.218 20 0 DBADRM CN1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CCC1=O ZINC001412326060 1001367472 /nfs/dbraw/zinc/36/74/72/1001367472.db2.gz JSGLXEPZPXWBGM-UHFFFAOYSA-N -1 0 315.337 -0.621 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)Cc1ccc[nH]1 ZINC001423539952 1001367528 /nfs/dbraw/zinc/36/75/28/1001367528.db2.gz AAUAWCAQVNJGDS-LLVKDONJSA-N -1 0 322.369 -0.668 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001412335309 1001370611 /nfs/dbraw/zinc/37/06/11/1001370611.db2.gz ZCEBDPMVKBXVAI-OUAUKWLOSA-N -1 0 317.349 -0.309 20 0 DBADRM COC(=O)[C@H]1CC(F)(F)CN1C(=O)CCCc1nnn[n-]1 ZINC001412344128 1001371547 /nfs/dbraw/zinc/37/15/47/1001371547.db2.gz FJGYTIQKZVEJCU-SSDOTTSWSA-N -1 0 303.269 -0.068 20 0 DBADRM CC(C)CN1CCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001591364600 1016490264 /nfs/dbraw/zinc/49/02/64/1016490264.db2.gz IXHVSVCUPJMVLU-JTQLQIEISA-N -1 0 303.334 -0.675 20 0 DBADRM CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)c1cnon1 ZINC001423576722 1001381866 /nfs/dbraw/zinc/38/18/66/1001381866.db2.gz DRPKRZQQNDBPOS-UHFFFAOYSA-N -1 0 309.330 -0.124 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423581386 1001384978 /nfs/dbraw/zinc/38/49/78/1001384978.db2.gz HNTPZURRDMASLP-CQSZACIVSA-N -1 0 319.369 -0.135 20 0 DBADRM CC(C)CN1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1=O ZINC001591364715 1016491113 /nfs/dbraw/zinc/49/11/13/1016491113.db2.gz MZVVTJYCDZCPID-UHFFFAOYSA-N -1 0 308.338 -0.092 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001412431120 1001399131 /nfs/dbraw/zinc/39/91/31/1001399131.db2.gz KQLGNYGVFSDFAY-RKDXNWHRSA-N -1 0 311.346 -0.673 20 0 DBADRM NC(=O)c1cccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)c1 ZINC001412434123 1001401541 /nfs/dbraw/zinc/40/15/41/1001401541.db2.gz UDKZPODFZWPWEA-JTQLQIEISA-N -1 0 302.294 -0.488 20 0 DBADRM O=C(N[C@@H]1Cc2ccccc2NC1=O)c1n[nH]c(=O)[n-]c1=O ZINC001412447007 1001405523 /nfs/dbraw/zinc/40/55/23/1001405523.db2.gz PGZUWRZVYZCWJK-MRVPVSSYSA-N -1 0 301.262 -0.424 20 0 DBADRM COC[C@](C)(O)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001423718380 1001408668 /nfs/dbraw/zinc/40/86/68/1001408668.db2.gz FTOMTTIPPFLWCF-SECBINFHSA-N -1 0 300.402 -0.520 20 0 DBADRM CO[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC[C@H]1C ZINC001591363069 1016486923 /nfs/dbraw/zinc/48/69/23/1016486923.db2.gz SHPVWQOSJRKRLA-SFYZADRCSA-N -1 0 321.341 -0.885 20 0 DBADRM C[C@@]1(C(F)(F)F)CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CCO1 ZINC001412470805 1001417370 /nfs/dbraw/zinc/41/73/70/1001417370.db2.gz VYSNLTKYAMDUTD-VIFPVBQESA-N -1 0 310.232 -0.131 20 0 DBADRM C[C@]1(C(F)(F)F)CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CCO1 ZINC001412470799 1001417380 /nfs/dbraw/zinc/41/73/80/1001417380.db2.gz VYSNLTKYAMDUTD-SECBINFHSA-N -1 0 310.232 -0.131 20 0 DBADRM CO[C@H]1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001591358705 1016487963 /nfs/dbraw/zinc/48/79/63/1016487963.db2.gz YJWSJHWDEZPINO-BDAKNGLRSA-N -1 0 306.330 -0.658 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001412489827 1001424267 /nfs/dbraw/zinc/42/42/67/1001424267.db2.gz OAUQOTSBZHXZIV-SECBINFHSA-N -1 0 316.387 -0.813 20 0 DBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)NCc3nnn[n-]3)c2C1 ZINC001412500237 1001427564 /nfs/dbraw/zinc/42/75/64/1001427564.db2.gz HQBRLXLLXGSCDD-SECBINFHSA-N -1 0 318.341 -0.975 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001412524868 1001437184 /nfs/dbraw/zinc/43/71/84/1001437184.db2.gz CKOKMHBODMBAAL-SNVBAGLBSA-N -1 0 309.374 -0.025 20 0 DBADRM Cc1nc(CN2CCN(C(=O)CCCc3nnn[n-]3)CC2)no1 ZINC001412526719 1001438793 /nfs/dbraw/zinc/43/87/93/1001438793.db2.gz AMVNPHUKXOEMFR-UHFFFAOYSA-N -1 0 320.357 -0.442 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)c1ccc(C(N)=O)cn1 ZINC001412533661 1001440283 /nfs/dbraw/zinc/44/02/83/1001440283.db2.gz YKNSKJFVHQFXRD-UHFFFAOYSA-N -1 0 303.326 -0.008 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NC2(c3nnn[n-]3)CCC2)cn1 ZINC001412535115 1001440959 /nfs/dbraw/zinc/44/09/59/1001440959.db2.gz BHIOEVGXCVRFGG-UHFFFAOYSA-N -1 0 322.350 -0.193 20 0 DBADRM COCCN(CC(=O)OC(C)(C)C)C(=O)CCc1nnn[n-]1 ZINC001412539035 1001441887 /nfs/dbraw/zinc/44/18/87/1001441887.db2.gz GJGNHVSBYDGXGC-UHFFFAOYSA-N -1 0 313.358 -0.051 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001412562120 1001450401 /nfs/dbraw/zinc/45/04/01/1001450401.db2.gz ASBXSBCKARUMJX-LURJTMIESA-N -1 0 304.328 -0.822 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCO[C@@H](C(F)F)C1 ZINC001412551744 1001447920 /nfs/dbraw/zinc/44/79/20/1001447920.db2.gz DRUQZLNVDJGBKH-SSDOTTSWSA-N -1 0 306.269 -0.038 20 0 DBADRM Cn1[n-]c(C(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)cc1=O ZINC001412555753 1001449181 /nfs/dbraw/zinc/44/91/81/1001449181.db2.gz QNNQUPRQPDDTDV-QMMMGPOBSA-N -1 0 302.356 -0.863 20 0 DBADRM C[C@@H](CN(C)C(=O)C1(C)CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412568017 1001454338 /nfs/dbraw/zinc/45/43/38/1001454338.db2.gz YWQALGSVQSZEQF-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](C)NC(=O)c1cccs1)c1nnn[n-]1 ZINC001412597490 1001476513 /nfs/dbraw/zinc/47/65/13/1001476513.db2.gz RTEFLHSCFWAQQN-HTQZYQBOSA-N -1 0 324.366 -0.117 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001423854842 1001478382 /nfs/dbraw/zinc/47/83/82/1001478382.db2.gz RQEALXJHUPDRCE-DCAQKATOSA-N -1 0 307.368 -0.603 20 0 DBADRM CC(C)CNC(=O)NC(=O)[C@@H](C)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001591374184 1016497611 /nfs/dbraw/zinc/49/76/11/1016497611.db2.gz QQTMZRSKUTUBQD-DTWKUNHWSA-N -1 0 322.383 -0.008 20 0 DBADRM COC[C@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)c1nnn[n-]1 ZINC001412607418 1001491344 /nfs/dbraw/zinc/49/13/44/1001491344.db2.gz MPQHANBUPBNPDR-RQJHMYQMSA-N -1 0 310.280 -0.114 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)o1 ZINC001412612529 1001493450 /nfs/dbraw/zinc/49/34/50/1001493450.db2.gz PDQFOETUFRRBCD-MRVPVSSYSA-N -1 0 304.310 -0.014 20 0 DBADRM O=C(c1s[n-]c(=O)c1Cl)N1CC2(C1)C[C@H](O)CNC2=O ZINC001412616903 1001499351 /nfs/dbraw/zinc/49/93/51/1001499351.db2.gz SGCUDMSDVINUCM-YFKPBYRVSA-N -1 0 317.754 -0.175 20 0 DBADRM COC(=O)[C@@H]1COCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001412617552 1001501007 /nfs/dbraw/zinc/50/10/07/1001501007.db2.gz JYMKKLWASBGHBR-VIFPVBQESA-N -1 0 306.278 -0.963 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(c2cc(-c3nn[nH]n3)ncn2)C1 ZINC001591387068 1016499991 /nfs/dbraw/zinc/49/99/91/1016499991.db2.gz NOARBTAMVXRWFH-LBPRGKRZSA-N -1 0 305.298 -0.416 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001591387514 1016500413 /nfs/dbraw/zinc/50/04/13/1016500413.db2.gz XMMQQNWJIAIDHB-GFCCVEGCSA-N -1 0 305.298 -0.416 20 0 DBADRM COC[C@@H](Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O)C(C)C ZINC001591380018 1016500761 /nfs/dbraw/zinc/50/07/61/1016500761.db2.gz XADQPLKXRQOHBL-SECBINFHSA-N -1 0 308.342 -0.354 20 0 DBADRM COC(=O)c1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cn1 ZINC001412629155 1001514458 /nfs/dbraw/zinc/51/44/58/1001514458.db2.gz POMXIWREJSDHRS-UHFFFAOYSA-N -1 0 307.266 -0.813 20 0 DBADRM O=S(=O)(CCOC1CCOCC1)[N-]CC(F)(F)CO ZINC001423895720 1001519892 /nfs/dbraw/zinc/51/98/92/1001519892.db2.gz BWRGOAYIBQVWLF-UHFFFAOYSA-N -1 0 303.327 -0.271 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)c2nc[nH]n2)c1[O-] ZINC001412659342 1001523187 /nfs/dbraw/zinc/52/31/87/1001523187.db2.gz CTOJMPCVVKMPBQ-LURJTMIESA-N -1 0 307.314 -0.568 20 0 DBADRM COC(=O)[C@H](CC(F)F)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001412693750 1001534235 /nfs/dbraw/zinc/53/42/35/1001534235.db2.gz RALBNHXQUXLZSX-BYPYZUCNSA-N -1 0 310.282 -0.085 20 0 DBADRM CN(C(=O)c1nc[n-]c(=O)c1Br)[C@H]1CCNC1=O ZINC001412710289 1001537682 /nfs/dbraw/zinc/53/76/82/1001537682.db2.gz MBCHKGSKKIEUTO-YFKPBYRVSA-N -1 0 315.127 -0.095 20 0 DBADRM COC[C@H](Cn1cnc2ncc(-c3nnn[n-]3)c(=O)n21)C(C)C ZINC001591379908 1016503583 /nfs/dbraw/zinc/50/35/83/1016503583.db2.gz USIHBAGOJCLQBE-VIFPVBQESA-N -1 0 318.341 -0.010 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCNC(=O)[C@H]1c1ccccc1F ZINC001412735452 1001547745 /nfs/dbraw/zinc/54/77/45/1001547745.db2.gz QUOUAYNUQYNPGG-CYBMUJFWSA-N -1 0 318.312 -0.029 20 0 DBADRM CC1CC(C(=O)N[C@@]2(CO)CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001424027970 1001549253 /nfs/dbraw/zinc/54/92/53/1001549253.db2.gz NNZSECPYQQDSSO-NWHVRFAMSA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001412737890 1001549542 /nfs/dbraw/zinc/54/95/42/1001549542.db2.gz QWVAIVDKBHDUPB-KNVOCYPGSA-N -1 0 318.380 -0.895 20 0 DBADRM COC[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001591394117 1016506107 /nfs/dbraw/zinc/50/61/07/1016506107.db2.gz MQDFKWCBMVKTIM-QMMMGPOBSA-N -1 0 321.341 -0.884 20 0 DBADRM Cc1noc(C[C@@H]2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001412742030 1001552013 /nfs/dbraw/zinc/55/20/13/1001552013.db2.gz XPWSRQJZMMMNCW-VIFPVBQESA-N -1 0 322.325 -0.138 20 0 DBADRM CCOCC(=O)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001424038848 1001552038 /nfs/dbraw/zinc/55/20/38/1001552038.db2.gz FVWQVUQNJRZQGT-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM C[C@H](C[S@@](C)=O)N(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412755389 1001560488 /nfs/dbraw/zinc/56/04/88/1001560488.db2.gz YYUPRSXTJQSZPH-PVBMHHQDSA-N -1 0 322.394 -0.086 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC001424094849 1001568262 /nfs/dbraw/zinc/56/82/62/1001568262.db2.gz PZMXNSHDLNGXLI-VXNVDRBHSA-N -1 0 323.353 -0.721 20 0 DBADRM COC(=O)C1CCC(S(=O)(=O)NCc2nc(=O)o[n-]2)CC1 ZINC001424157157 1001585753 /nfs/dbraw/zinc/58/57/53/1001585753.db2.gz KQHDDSKNUDLXFB-UHFFFAOYSA-N -1 0 319.339 -0.486 20 0 DBADRM COC(=O)C1(NC(=O)c2c[n-]n3c2nccc3=O)CC(CO)C1 ZINC001412791924 1001585863 /nfs/dbraw/zinc/58/58/63/1001585863.db2.gz UFHHDKAJBCQDRW-UHFFFAOYSA-N -1 0 320.305 -0.934 20 0 DBADRM COCC[C@H](COC)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591398087 1016509643 /nfs/dbraw/zinc/50/96/43/1016509643.db2.gz CAEOVEWGEHWEHW-DTWKUNHWSA-N -1 0 324.345 -0.813 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001591414826 1016509864 /nfs/dbraw/zinc/50/98/64/1016509864.db2.gz WCWZYRYCRBRJQP-VIFPVBQESA-N -1 0 323.367 -0.610 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1 ZINC001412839298 1001614811 /nfs/dbraw/zinc/61/48/11/1001614811.db2.gz MOHAUXJDGVELAS-OLQVQODUSA-N -1 0 302.312 -0.654 20 0 DBADRM CN1C(=O)CN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1c1ccccc1 ZINC001412845026 1001617833 /nfs/dbraw/zinc/61/78/33/1001617833.db2.gz AVSIAOUNEQOMKX-GFCCVEGCSA-N -1 0 317.305 -0.311 20 0 DBADRM Cn1cc(Br)c(CNC(=O)c2n[nH]c(=O)[n-]2)n1 ZINC001412845819 1001618200 /nfs/dbraw/zinc/61/82/00/1001618200.db2.gz IICDWEVXVQCMAU-UHFFFAOYSA-N -1 0 301.104 -0.064 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1 ZINC001591414317 1016510660 /nfs/dbraw/zinc/51/06/60/1016510660.db2.gz GHVBNBJBCIOTHI-LLVKDONJSA-N -1 0 317.367 -0.267 20 0 DBADRM COCCC1(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001591400890 1016511008 /nfs/dbraw/zinc/51/10/08/1016511008.db2.gz DSALZRKPAQLKEG-SECBINFHSA-N -1 0 320.357 -0.048 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CC[C@]1(O)CCOC1 ZINC001424333917 1001625697 /nfs/dbraw/zinc/62/56/97/1001625697.db2.gz CQZMYJKAIOAUMR-LBPRGKRZSA-N -1 0 319.335 -0.114 20 0 DBADRM COCC[C@@H](COC)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591398086 1016511430 /nfs/dbraw/zinc/51/14/30/1016511430.db2.gz CAEOVEWGEHWEHW-BDAKNGLRSA-N -1 0 324.345 -0.813 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N[C@H](C(=O)[O-])c1ccn(C)n1 ZINC001591414318 1016511463 /nfs/dbraw/zinc/51/14/63/1016511463.db2.gz GHVBNBJBCIOTHI-NSHDSACASA-N -1 0 317.367 -0.267 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cc1 ZINC001412893844 1001638180 /nfs/dbraw/zinc/63/81/80/1001638180.db2.gz CDVHXBCLZYYFJP-UHFFFAOYSA-N -1 0 316.321 -0.578 20 0 DBADRM CC1CC(C(=O)N2CCC[C@](CO)(NCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001424416302 1001640260 /nfs/dbraw/zinc/64/02/60/1001640260.db2.gz YKITZHKSNGXSPO-NWHVRFAMSA-N -1 0 323.397 -0.001 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001412899262 1001641024 /nfs/dbraw/zinc/64/10/24/1001641024.db2.gz VYUXTKSRBWZPQR-LKFCYVNXSA-N -1 0 318.337 -0.655 20 0 DBADRM O=C(c1ccn(C(F)F)n1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412902144 1001642200 /nfs/dbraw/zinc/64/22/00/1001642200.db2.gz QYTBXXOBFMFBLA-UHFFFAOYSA-N -1 0 313.268 -0.085 20 0 DBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]N2CCCC2=O)cc1 ZINC001424454063 1001643505 /nfs/dbraw/zinc/64/35/05/1001643505.db2.gz CKGOMNQSIJWJTD-UHFFFAOYSA-N -1 0 318.376 -0.094 20 0 DBADRM NC(=O)N1CC[C@H](CNC(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001412938071 1001656334 /nfs/dbraw/zinc/65/63/34/1001656334.db2.gz VLPWIBSWPYEJAC-ZCFIWIBFSA-N -1 0 300.344 -0.881 20 0 DBADRM Nc1nn2c(nc(CN3CC(F)(F)C[C@H]3CO)cc2=O)[nH]1 ZINC001412983758 1001675280 /nfs/dbraw/zinc/67/52/80/1001675280.db2.gz UPOSWLMBXBPZNU-ZETCQYMHSA-N -1 0 300.269 -0.798 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCCN(C(=O)CCc2nnn[n-]2)C1 ZINC001413029129 1001687946 /nfs/dbraw/zinc/68/79/46/1001687946.db2.gz YINLQZLKKVOGCY-SECBINFHSA-N -1 0 301.372 -0.585 20 0 DBADRM Cn1ncc(Br)c1CC(=O)Nn1c(=O)[n-][nH]c1=O ZINC001413036933 1001689449 /nfs/dbraw/zinc/68/94/49/1001689449.db2.gz XLDHAQFGUNSWRI-UHFFFAOYSA-N -1 0 317.103 -0.502 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001413050599 1001691760 /nfs/dbraw/zinc/69/17/60/1001691760.db2.gz AHTDCFIOASHQOY-DTWKUNHWSA-N -1 0 306.278 -0.420 20 0 DBADRM COCCC[C@H](C)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591407774 1016513534 /nfs/dbraw/zinc/51/35/34/1016513534.db2.gz OMCPIZLQSIRRCA-VIFPVBQESA-N -1 0 308.346 -0.363 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2ccc(Cl)c([O-])c2)CC1=O ZINC001413132127 1001702409 /nfs/dbraw/zinc/70/24/09/1001702409.db2.gz CDMBKMXYDDDFKH-UHFFFAOYSA-N -1 0 311.725 -0.185 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC001413185895 1001710076 /nfs/dbraw/zinc/71/00/76/1001710076.db2.gz RZSHGDZDMIFJKN-JTQLQIEISA-N -1 0 303.278 -0.091 20 0 DBADRM CS(=O)(=O)c1ccc(CNS(=O)(=O)c2ncc[n-]2)cn1 ZINC001424660034 1001718344 /nfs/dbraw/zinc/71/83/44/1001718344.db2.gz DESDOZFPNIDUNA-UHFFFAOYSA-N -1 0 316.364 -0.313 20 0 DBADRM CN1c2ccccc2C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1=O ZINC001413268057 1001793287 /nfs/dbraw/zinc/79/32/87/1001793287.db2.gz SPLPKWPOIZLDBG-QMMMGPOBSA-N -1 0 315.289 -0.400 20 0 DBADRM COCCOCc1noc([C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001591439907 1016526020 /nfs/dbraw/zinc/52/60/20/1016526020.db2.gz SRGWNGYWVNSJSI-SSDOTTSWSA-N -1 0 321.301 -0.387 20 0 DBADRM COCCOCCN(C)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001591439759 1016526233 /nfs/dbraw/zinc/52/62/33/1016526233.db2.gz ZFUOLDQGFSXJIY-UHFFFAOYSA-N -1 0 308.342 -0.419 20 0 DBADRM C[C@H]1CCCC[C@]12CC(=O)NN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001413275271 1001800450 /nfs/dbraw/zinc/80/04/50/1001800450.db2.gz FKNNYBMBKPMXCE-SDBXPKJASA-N -1 0 309.326 -0.098 20 0 DBADRM NC(=O)C1(CNS(=O)(=O)c2c[nH]nc2Cl)CCOCC1 ZINC001413276596 1001800703 /nfs/dbraw/zinc/80/07/03/1001800703.db2.gz NPKOEPRLUUJCIO-UHFFFAOYSA-N -1 0 322.774 -0.377 20 0 DBADRM Cc1nc(CN[C@H](C)[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001424840205 1001805773 /nfs/dbraw/zinc/80/57/73/1001805773.db2.gz RLHYTBSOVAJJRQ-SFYZADRCSA-N -1 0 324.341 -0.331 20 0 DBADRM COC(=O)COCC(=O)N[C@@H](CCSC)c1nnn[n-]1 ZINC001413298251 1001807179 /nfs/dbraw/zinc/80/71/79/1001807179.db2.gz KNFNKPOYEMIARS-ZETCQYMHSA-N -1 0 303.344 -0.700 20 0 DBADRM Cc1nn2cccnc2c1S(=O)(=O)[N-]N1CCCNC1=O ZINC001413321964 1001813583 /nfs/dbraw/zinc/81/35/83/1001813583.db2.gz XJKGSRTWQGGLEB-UHFFFAOYSA-N -1 0 310.339 -0.354 20 0 DBADRM NS(=O)(=O)N1CCC(NC(=O)c2cccc(F)c2[O-])CC1 ZINC001413328471 1001815948 /nfs/dbraw/zinc/81/59/48/1001815948.db2.gz HQDSXIUSNVJLDS-UHFFFAOYSA-N -1 0 317.342 -0.071 20 0 DBADRM COCCOCCCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591438359 1016527596 /nfs/dbraw/zinc/52/75/96/1016527596.db2.gz NJMUOZOHFGDSNF-VIFPVBQESA-N -1 0 324.345 -0.812 20 0 DBADRM CCc1c[nH]c(CC(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001424970824 1001819457 /nfs/dbraw/zinc/81/94/57/1001819457.db2.gz YDJADROQGCLLDX-SECBINFHSA-N -1 0 321.385 -0.025 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC001413353043 1001823687 /nfs/dbraw/zinc/82/36/87/1001823687.db2.gz VYGAYVTUQKKCKC-UHFFFAOYSA-N -1 0 318.380 -0.168 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CC(C)=NO2)on1 ZINC001413355780 1001825060 /nfs/dbraw/zinc/82/50/60/1001825060.db2.gz IFZMLCMTZASHGV-ZETCQYMHSA-N -1 0 303.296 -0.096 20 0 DBADRM C[C@H](CNC(=O)c1cccc(=O)n1C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001425000969 1001826017 /nfs/dbraw/zinc/82/60/17/1001826017.db2.gz IKWBEGMBNLXGEC-SECBINFHSA-N -1 0 320.353 -0.541 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCS(=O)(=O)C[C@@H]1C1CCC1 ZINC001413371732 1001831248 /nfs/dbraw/zinc/83/12/48/1001831248.db2.gz BJOIAJIQOWWXFJ-SNVBAGLBSA-N -1 0 319.408 -0.003 20 0 DBADRM O=C(c1cc2n(n1)CCC[C@H]2O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001413384745 1001834461 /nfs/dbraw/zinc/83/44/61/1001834461.db2.gz BYETWLQWRYNAFJ-WDEREUQCSA-N -1 0 319.325 -0.563 20 0 DBADRM O=C(c1cnn2c1NCCC2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001413387718 1001835454 /nfs/dbraw/zinc/83/54/54/1001835454.db2.gz OPLOBKCWQIEVKV-SECBINFHSA-N -1 0 304.314 -0.575 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC001413391388 1001835924 /nfs/dbraw/zinc/83/59/24/1001835924.db2.gz NDIZUHNTGTTWLA-JTQLQIEISA-N -1 0 323.353 -0.307 20 0 DBADRM COCc1cncc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1 ZINC001413390694 1001835959 /nfs/dbraw/zinc/83/59/59/1001835959.db2.gz ZADXAQOLNNSATP-LLVKDONJSA-N -1 0 304.310 -0.045 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC(C)C1 ZINC001433388016 1001843935 /nfs/dbraw/zinc/84/39/35/1001843935.db2.gz KWXIBBRSVWUTDP-ZUEIMRROSA-N -1 0 309.326 -0.437 20 0 DBADRM COC(=O)C1=NO[C@]2(CCN(C(=O)c3c[n-]ncc3=O)C2)C1 ZINC001413424441 1001843908 /nfs/dbraw/zinc/84/39/08/1001843908.db2.gz DHZGXGHZNZDYED-CYBMUJFWSA-N -1 0 306.278 -0.284 20 0 DBADRM O=C([C@@H]1CCC2N=NC(=O)N2C1)N1CCC(c2nnn[n-]2)CC1 ZINC001413430833 1001847140 /nfs/dbraw/zinc/84/71/40/1001847140.db2.gz YCBHBQLWWFEWSW-SECBINFHSA-N -1 0 318.341 -0.535 20 0 DBADRM CC(C)n1nnc([N-]S(=O)(=O)CCCN2CCOCC2)n1 ZINC001413439992 1001849006 /nfs/dbraw/zinc/84/90/06/1001849006.db2.gz XFCJBJGRRJGYOO-UHFFFAOYSA-N -1 0 318.403 -0.282 20 0 DBADRM CO[C@@]1(CNS(=O)(=O)c2conc2C)CCS(=O)(=O)C1 ZINC001413449668 1001851851 /nfs/dbraw/zinc/85/18/51/1001851851.db2.gz MFQIUFALJINKKB-SNVBAGLBSA-N -1 0 324.380 -0.535 20 0 DBADRM O=C(c1c[n-]ncc1=O)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001413455910 1001852743 /nfs/dbraw/zinc/85/27/43/1001852743.db2.gz SHVPTDDVEYUZQE-VIFPVBQESA-N -1 0 306.322 -0.715 20 0 DBADRM O=C(C[C@@H]1CCCS(=O)(=O)C1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001413465112 1001854699 /nfs/dbraw/zinc/85/46/99/1001854699.db2.gz CMKOVVYHLOTVGN-UWVGGRQHSA-N -1 0 313.383 -0.270 20 0 DBADRM O=C(CCc1nnn[n-]1)NCc1ccc(N2CCNC2=O)cc1 ZINC001413466629 1001855530 /nfs/dbraw/zinc/85/55/30/1001855530.db2.gz AQKFRASYRBECOV-UHFFFAOYSA-N -1 0 315.337 -0.022 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CSCN1)C(=O)[O-] ZINC001591458612 1016531022 /nfs/dbraw/zinc/53/10/22/1016531022.db2.gz RXMRTKVLZYQCDG-IUCAKERBSA-N -1 0 303.384 -0.619 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC1CC1 ZINC001425162522 1001858705 /nfs/dbraw/zinc/85/87/05/1001858705.db2.gz GLHNGRRBKFIQHG-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H](CNC(=O)C1(CF)CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433466169 1001859709 /nfs/dbraw/zinc/85/97/09/1001859709.db2.gz FCWOQZAPZOTDRU-ZCFIWIBFSA-N -1 0 313.289 -0.733 20 0 DBADRM CCn1nnnc1NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001433476594 1001862468 /nfs/dbraw/zinc/86/24/68/1001862468.db2.gz HEJXYTNEKHQEAA-UHFFFAOYSA-N -1 0 311.327 -0.288 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)N2CCC(Cc3nn[nH]n3)CC2)c1 ZINC001413508017 1001865132 /nfs/dbraw/zinc/86/51/32/1001865132.db2.gz SMDIHPYYADIVEW-UHFFFAOYSA-N -1 0 303.326 -0.278 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12)C(=O)[O-] ZINC001591457793 1016531879 /nfs/dbraw/zinc/53/18/79/1016531879.db2.gz UKMPQCKEGNVDOA-WTTBSCSTSA-N -1 0 310.350 -0.057 20 0 DBADRM Cc1cc(CCNC(=O)CCCn2c(=O)[n-][nH]c2=O)nn1C ZINC001413515475 1001867284 /nfs/dbraw/zinc/86/72/84/1001867284.db2.gz DZVOYHHHTSWRFC-UHFFFAOYSA-N -1 0 308.342 -0.130 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)CCCc2nnn[n-]2)CC12COC2 ZINC001413525439 1001870113 /nfs/dbraw/zinc/87/01/13/1001870113.db2.gz AXINDBKDCCUELU-JTQLQIEISA-N -1 0 323.353 -0.440 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@]1(C)CCC(=O)N1)C(=O)[O-] ZINC001591458302 1016532340 /nfs/dbraw/zinc/53/23/40/1016532340.db2.gz FHOYTDWTMFYLAN-XPTSAGLGSA-N -1 0 313.354 -0.613 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)Cn1nccc1N)C(=O)[O-] ZINC001591458275 1016532978 /nfs/dbraw/zinc/53/29/78/1016532978.db2.gz DDJNJFLPBQJYFI-VIFPVBQESA-N -1 0 311.342 -0.803 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1nnn[n-]1 ZINC001413549104 1001876999 /nfs/dbraw/zinc/87/69/99/1001876999.db2.gz CBRBOFHLMBVOPB-JTQLQIEISA-N -1 0 322.300 -0.428 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC001413565626 1001880120 /nfs/dbraw/zinc/88/01/20/1001880120.db2.gz IMRBSTZHKWLGBP-WDEREUQCSA-N -1 0 324.385 -0.053 20 0 DBADRM O=C(CC1CC1)NC[C@H](CO)NC(=O)c1cccc2n[nH]nc21 ZINC001425263913 1001880768 /nfs/dbraw/zinc/88/07/68/1001880768.db2.gz AEVQSXFLGAMRJW-SNVBAGLBSA-N -1 0 317.349 -0.035 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(OC(=O)N(C)C)CC1 ZINC001413566700 1001881636 /nfs/dbraw/zinc/88/16/36/1001881636.db2.gz KNQOIJHYNMJGLT-UHFFFAOYSA-N -1 0 311.346 -0.191 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC2(CC1)C[C@@H](O)CCO2 ZINC001413570720 1001882594 /nfs/dbraw/zinc/88/25/94/1001882594.db2.gz ZUMMGJPJBQLMPS-JTQLQIEISA-N -1 0 310.358 -0.347 20 0 DBADRM CN(C(=O)c1c[n-]n2c1nccc2=O)[C@@H]1CCS(=O)(=O)C1 ZINC001433589222 1001892148 /nfs/dbraw/zinc/89/21/48/1001892148.db2.gz PBFPWLJIENMPCB-MRVPVSSYSA-N -1 0 310.335 -0.718 20 0 DBADRM C[C@@H]1COC[C@@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001413618865 1001892422 /nfs/dbraw/zinc/89/24/22/1001892422.db2.gz CCUYUQOTMWTBJJ-XCBNKYQSSA-N -1 0 300.336 -0.196 20 0 DBADRM CN1CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1 ZINC001433590980 1001892484 /nfs/dbraw/zinc/89/24/84/1001892484.db2.gz ZCUFQXBQBFOVIU-UHFFFAOYSA-N -1 0 303.322 -0.346 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1cn(C)ccc1=O)C(=O)[O-] ZINC001591463057 1016535558 /nfs/dbraw/zinc/53/55/58/1016535558.db2.gz BOBYPQYQFLWYND-NSHDSACASA-N -1 0 323.349 -0.269 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCc1nnc2n1CCC2 ZINC001433602796 1001895722 /nfs/dbraw/zinc/89/57/22/1001895722.db2.gz YEIMACJXRQBGMV-UHFFFAOYSA-N -1 0 307.314 -0.676 20 0 DBADRM Cn1nnc(NC(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)n1 ZINC001413636014 1001895703 /nfs/dbraw/zinc/89/57/03/1001895703.db2.gz WYLPNFRMOPTKSX-VIFPVBQESA-N -1 0 321.263 -0.115 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001591466643 1016536687 /nfs/dbraw/zinc/53/66/87/1016536687.db2.gz VZLHBWOZVVFJKR-UHFFFAOYSA-N -1 0 311.689 -0.678 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001433621633 1001905911 /nfs/dbraw/zinc/90/59/11/1001905911.db2.gz DDTBIVAACHHBOC-QMMMGPOBSA-N -1 0 303.326 -0.671 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCN1CCc2sccc2C1 ZINC001433632696 1001914456 /nfs/dbraw/zinc/91/44/56/1001914456.db2.gz SRDACDFXOJATPX-UHFFFAOYSA-N -1 0 323.378 -0.075 20 0 DBADRM CO[C@H]1C[C@@H](N(C)C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001591472941 1016538871 /nfs/dbraw/zinc/53/88/71/1016538871.db2.gz MZHXLTDMILYWDS-DTORHVGOSA-N -1 0 321.345 -0.723 20 0 DBADRM CO[C@H]1C[C@H](CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001591474917 1016539658 /nfs/dbraw/zinc/53/96/58/1016539658.db2.gz QBAKPCSWIKDULL-ZKCHVHJHSA-N -1 0 321.341 -0.899 20 0 DBADRM COc1c(-c2nnn[n-]2)ccc(=O)n1Cc1nc(N(C)C)no1 ZINC001591474526 1016541285 /nfs/dbraw/zinc/54/12/85/1016541285.db2.gz BVKLHTUFLUOLNB-UHFFFAOYSA-N -1 0 318.297 -0.466 20 0 DBADRM C[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)[C@H](C)S(C)(=O)=O ZINC001433666138 1001932262 /nfs/dbraw/zinc/93/22/62/1001932262.db2.gz UENDZJXVHWQOSN-CIUDSAMLSA-N -1 0 317.371 -0.831 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001591556769 1016550973 /nfs/dbraw/zinc/55/09/73/1016550973.db2.gz STAHCCKUHKAJFT-LLVKDONJSA-N -1 0 305.356 -0.123 20 0 DBADRM CC(C)N(C)C(=O)[C@@H](C)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001591543062 1016551222 /nfs/dbraw/zinc/55/12/22/1016551222.db2.gz XQBKEFSTCLCRLT-MNOVXSKESA-N -1 0 320.411 -0.185 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591471579 1016541528 /nfs/dbraw/zinc/54/15/28/1016541528.db2.gz AWWUHWHBGNZBHD-MWLCHTKSSA-N -1 0 305.294 -0.284 20 0 DBADRM COc1cnc([C@@H]2CCCN2C(=O)CCn2cnnn2)[nH]c1=O ZINC001413769541 1001997815 /nfs/dbraw/zinc/99/78/15/1001997815.db2.gz RJAMSSFTUHRNCP-VIFPVBQESA-N -1 0 319.325 -0.069 20 0 DBADRM COc1nccc(C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)n1 ZINC001413773261 1002000931 /nfs/dbraw/zinc/00/09/31/1002000931.db2.gz YQFOLOFDOJAVSA-SECBINFHSA-N -1 0 316.321 -0.011 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001591605233 1016553585 /nfs/dbraw/zinc/55/35/85/1016553585.db2.gz IGRZBWQKEOWEQM-UWVGGRQHSA-N -1 0 314.338 -0.282 20 0 DBADRM COC(=O)C[C@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001413784534 1002009226 /nfs/dbraw/zinc/00/92/26/1002009226.db2.gz CMSPAGJHWLFYEB-QMMMGPOBSA-N -1 0 304.310 -0.244 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CC1=O ZINC001591610960 1016554285 /nfs/dbraw/zinc/55/42/85/1016554285.db2.gz ULNQXBYKLDRDKK-DCAQKATOSA-N -1 0 313.354 -0.121 20 0 DBADRM CC(C)N(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1nnnn1C ZINC001591590805 1016554429 /nfs/dbraw/zinc/55/44/29/1016554429.db2.gz HWUUIUIQYDSLAC-MNOVXSKESA-N -1 0 324.385 -0.353 20 0 DBADRM CC(C)N1C[C@H](n2nnnc2N2CC[C@H](C(=O)[O-])C2)CC1=O ZINC001591610433 1016554642 /nfs/dbraw/zinc/55/46/42/1016554642.db2.gz DIFHBEWCWSOXNS-VHSXEESVSA-N -1 0 308.342 -0.234 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1=O ZINC001591610921 1016554733 /nfs/dbraw/zinc/55/47/33/1016554733.db2.gz SDXGVKYCVXMOSY-JTQLQIEISA-N -1 0 321.333 -0.328 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CC(c2[nH]nc3c2COCC3)C1 ZINC001413798175 1002015810 /nfs/dbraw/zinc/01/58/10/1002015810.db2.gz CLABBTYJLPPVAN-UHFFFAOYSA-N -1 0 317.353 -0.056 20 0 DBADRM CC(C)N1CCC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001591624595 1016555764 /nfs/dbraw/zinc/55/57/64/1016555764.db2.gz QQHOGSFFJUGSSO-GHMZBOCLSA-N -1 0 318.395 -0.431 20 0 DBADRM CC(C)NC(=O)CN1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001591644771 1016556060 /nfs/dbraw/zinc/55/60/60/1016556060.db2.gz GUJPQLMDXXPGSC-RYUDHWBXSA-N -1 0 311.382 -0.234 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001433771830 1002021471 /nfs/dbraw/zinc/02/14/71/1002021471.db2.gz AMBRNYSQSCUERK-SSDOTTSWSA-N -1 0 314.371 -0.478 20 0 DBADRM O=C(CCCF)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001433774086 1002024942 /nfs/dbraw/zinc/02/49/42/1002024942.db2.gz DVJDOUPNRSXYQH-MRVPVSSYSA-N -1 0 315.305 -0.844 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)Cc2cnoc2)c1[O-] ZINC001433775233 1002025521 /nfs/dbraw/zinc/02/55/21/1002025521.db2.gz CHSPHYUJVYWHCQ-JTQLQIEISA-N -1 0 319.321 -0.015 20 0 DBADRM CC(C)N1CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)CC1=O ZINC001591630290 1016556672 /nfs/dbraw/zinc/55/66/72/1016556672.db2.gz WCGLXBSQRGHPMK-UHFFFAOYSA-N -1 0 324.341 -0.762 20 0 DBADRM CC(C)NC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001591644772 1016556874 /nfs/dbraw/zinc/55/68/74/1016556874.db2.gz GUJPQLMDXXPGSC-VXGBXAGGSA-N -1 0 311.382 -0.234 20 0 DBADRM CC(C)NC(=O)CN1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001591645027 1016557185 /nfs/dbraw/zinc/55/71/85/1016557185.db2.gz NBWUVYVCMMFCJK-UHFFFAOYSA-N -1 0 307.354 -0.179 20 0 DBADRM COc1cccc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)c1 ZINC001591640305 1016558138 /nfs/dbraw/zinc/55/81/38/1016558138.db2.gz WKRYSXISSVUYSM-UHFFFAOYSA-N -1 0 314.305 -0.216 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001413850924 1002040598 /nfs/dbraw/zinc/04/05/98/1002040598.db2.gz MAJDEDQXVFYCGL-ZCFIWIBFSA-N -1 0 301.328 -0.842 20 0 DBADRM C[C@]1(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CCCS1(=O)=O ZINC001413853627 1002041945 /nfs/dbraw/zinc/04/19/45/1002041945.db2.gz WRHOVFJJWUXJBO-SECBINFHSA-N -1 0 322.368 -0.886 20 0 DBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001433812609 1002043197 /nfs/dbraw/zinc/04/31/97/1002043197.db2.gz DJWHIKBLRBCNHE-LURJTMIESA-N -1 0 308.385 -0.458 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)NCC1(C(=O)[O-])CC1 ZINC001591661665 1016559775 /nfs/dbraw/zinc/55/97/75/1016559775.db2.gz VFGZSBNDSVDVHV-UHFFFAOYSA-N -1 0 307.372 -0.522 20 0 DBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)NC[C@H](O)CC(=O)[O-] ZINC001591647429 1016560630 /nfs/dbraw/zinc/56/06/30/1016560630.db2.gz MHMJDGQNBCYNLP-ZJUUUORDSA-N -1 0 301.343 -0.479 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)c2cc(C(=O)[O-])on2)CC1 ZINC001591645303 1016561201 /nfs/dbraw/zinc/56/12/01/1016561201.db2.gz SCVAAOAGCVDCPE-UHFFFAOYSA-N -1 0 324.337 -0.345 20 0 DBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001433830863 1002056065 /nfs/dbraw/zinc/05/60/65/1002056065.db2.gz CXUDZVRFMYLGQZ-BDAKNGLRSA-N -1 0 309.374 -0.011 20 0 DBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001433830869 1002056127 /nfs/dbraw/zinc/05/61/27/1002056127.db2.gz CXUDZVRFMYLGQZ-RKDXNWHRSA-N -1 0 309.374 -0.011 20 0 DBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001433830865 1002057203 /nfs/dbraw/zinc/05/72/03/1002057203.db2.gz CXUDZVRFMYLGQZ-DTWKUNHWSA-N -1 0 309.374 -0.011 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)[C@H]3CCCO3)CC2)c1[O-] ZINC001433840586 1002063106 /nfs/dbraw/zinc/06/31/06/1002063106.db2.gz ZMWCRGMOVQMZTB-SECBINFHSA-N -1 0 308.338 -0.019 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2cncnc2N)cn1 ZINC001433856606 1002074782 /nfs/dbraw/zinc/07/47/82/1002074782.db2.gz XKPQMHYCLFHUDJ-UHFFFAOYSA-N -1 0 322.350 -0.245 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CCC2(C1)OCCO2 ZINC001433862864 1002080381 /nfs/dbraw/zinc/08/03/81/1002080381.db2.gz HZFPZUOJBRGYGP-SECBINFHSA-N -1 0 312.326 -0.119 20 0 DBADRM CC(C)NS(=O)(=O)NCCNCc1ncc(C(=O)[O-])s1 ZINC001591666815 1016566260 /nfs/dbraw/zinc/56/62/60/1016566260.db2.gz POGNYGVYIPAQLK-UHFFFAOYSA-N -1 0 322.412 -0.237 20 0 DBADRM COC[C@@H](CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)OC ZINC001433894194 1002097656 /nfs/dbraw/zinc/09/76/56/1002097656.db2.gz CHUAJRHVKPPSME-LLVKDONJSA-N -1 0 322.321 -0.343 20 0 DBADRM O=C(N[C@]1(CO)CCOC1)c1nc[n-]c(=O)c1Br ZINC001433894855 1002099555 /nfs/dbraw/zinc/09/95/55/1002099555.db2.gz ICLJDFNPPYRXGK-JTQLQIEISA-N -1 0 318.127 -0.174 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOC[C@H]1[C@@H]1CCCC1=O ZINC001433899457 1002101711 /nfs/dbraw/zinc/10/17/11/1002101711.db2.gz SUHSSYJBUFRAFI-YUMQZZPRSA-N -1 0 308.294 -0.507 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001433901668 1002102036 /nfs/dbraw/zinc/10/20/36/1002102036.db2.gz CZHGQFITDSHWIL-DJLDLDEBSA-N -1 0 302.352 -0.816 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOC[C@H]1[C@H]1CCCC1=O ZINC001433899456 1002102584 /nfs/dbraw/zinc/10/25/84/1002102584.db2.gz SUHSSYJBUFRAFI-SFYZADRCSA-N -1 0 308.294 -0.507 20 0 DBADRM C[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@@H](CO)O1 ZINC001433910784 1002109546 /nfs/dbraw/zinc/10/95/46/1002109546.db2.gz JPFBXOIHEBHEAF-BDAKNGLRSA-N -1 0 300.315 -0.922 20 0 DBADRM COc1cc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)ncn1 ZINC001433924767 1002116123 /nfs/dbraw/zinc/11/61/23/1002116123.db2.gz LXXAJAVWKMVMGV-MRVPVSSYSA-N -1 0 307.339 -0.071 20 0 DBADRM O=C([C@H]1CCCn2ncnc21)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001433926597 1002119123 /nfs/dbraw/zinc/11/91/23/1002119123.db2.gz SQFCBABNQHSAME-DTWKUNHWSA-N -1 0 320.382 -0.015 20 0 DBADRM O=C([C@H]1CCCn2ncnc21)N1CCSC[C@H]1c1nnn[n-]1 ZINC001433926602 1002119720 /nfs/dbraw/zinc/11/97/20/1002119720.db2.gz SQFCBABNQHSAME-IUCAKERBSA-N -1 0 320.382 -0.015 20 0 DBADRM COC(=O)[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccsc1 ZINC001433929978 1002121601 /nfs/dbraw/zinc/12/16/01/1002121601.db2.gz JSDJKBQPGADAPM-MRVPVSSYSA-N -1 0 312.307 -0.219 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccsc1 ZINC001433929979 1002122835 /nfs/dbraw/zinc/12/28/35/1002122835.db2.gz JSDJKBQPGADAPM-QMMMGPOBSA-N -1 0 312.307 -0.219 20 0 DBADRM CS(=O)(=O)N1CC(CN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC001413998754 1002123314 /nfs/dbraw/zinc/12/33/14/1002123314.db2.gz BQKUOASHUSQMQX-JTQLQIEISA-N -1 0 315.399 -0.419 20 0 DBADRM CNc1nc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cs1 ZINC001433935797 1002124180 /nfs/dbraw/zinc/12/41/80/1002124180.db2.gz LWODXZWQUWZVDK-UHFFFAOYSA-N -1 0 309.355 -0.178 20 0 DBADRM CS(=O)(=O)[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001433935848 1002125136 /nfs/dbraw/zinc/12/51/36/1002125136.db2.gz CCWZRBGZAGCBIL-MRVPVSSYSA-N -1 0 318.355 -0.885 20 0 DBADRM CCN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@@H]1CCNC1=O ZINC001433936393 1002125294 /nfs/dbraw/zinc/12/52/94/1002125294.db2.gz PHTMUUKHOCCZDX-LLVKDONJSA-N -1 0 315.337 -0.575 20 0 DBADRM CC1(CC(=O)NC2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)CC1 ZINC001433954049 1002133142 /nfs/dbraw/zinc/13/31/42/1002133142.db2.gz PAAPVSMYTNXTSU-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](CO)Cc1cccnc1 ZINC001433966413 1002139527 /nfs/dbraw/zinc/13/95/27/1002139527.db2.gz JFPDLLNVWUXNID-JTQLQIEISA-N -1 0 307.310 -0.948 20 0 DBADRM CS[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001591693639 1016574135 /nfs/dbraw/zinc/57/41/35/1016574135.db2.gz NZFHEPFSBYCGEA-ZCFIWIBFSA-N -1 0 309.355 -0.805 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1nccnc1Cl ZINC001433968557 1002141635 /nfs/dbraw/zinc/14/16/35/1002141635.db2.gz JWSRTWROHLMBLB-UHFFFAOYSA-N -1 0 319.712 -0.169 20 0 DBADRM CN1C(=O)Cc2cc(NC(=O)Cn3c(=O)[n-][nH]c3=O)ccc21 ZINC001433968661 1002141725 /nfs/dbraw/zinc/14/17/25/1002141725.db2.gz RUQCKEZQAUUYAG-UHFFFAOYSA-N -1 0 303.278 -0.153 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)Cc3ncc[nH]3)CC2)c1[O-] ZINC001433971985 1002144360 /nfs/dbraw/zinc/14/43/60/1002144360.db2.gz CSOPVNSDJAQSEZ-UHFFFAOYSA-N -1 0 318.337 -0.232 20 0 DBADRM CN(CCC(N)=O)C(=O)c1nc[n-]c(=O)c1Br ZINC001433973452 1002144600 /nfs/dbraw/zinc/14/46/00/1002144600.db2.gz NSKGNPBGDVOESO-UHFFFAOYSA-N -1 0 303.116 -0.108 20 0 DBADRM COC(=O)Cc1ccccc1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001433977611 1002145313 /nfs/dbraw/zinc/14/53/13/1002145313.db2.gz CZGMIHDBIDIILD-UHFFFAOYSA-N -1 0 320.305 -0.279 20 0 DBADRM Cn1nccc1[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCO1 ZINC001433993919 1002155954 /nfs/dbraw/zinc/15/59/54/1002155954.db2.gz PVAUDJVZILKKQM-PSASIEDQSA-N -1 0 322.325 -0.541 20 0 DBADRM C[S@](=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591683718 1016576722 /nfs/dbraw/zinc/57/67/22/1016576722.db2.gz GRLHDQUHWWMQQX-SFHVURJKSA-N -1 0 305.341 -0.884 20 0 DBADRM O=C(NC1(CNC(=O)[C@H]2CC23CC3)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001434004766 1002165127 /nfs/dbraw/zinc/16/51/27/1002165127.db2.gz CABQMEZUQFURMU-SSDOTTSWSA-N -1 0 319.321 -0.539 20 0 DBADRM CCN1C[C@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1=O ZINC001434008706 1002166377 /nfs/dbraw/zinc/16/63/77/1002166377.db2.gz AYYLNMHWEZSWEO-SNVBAGLBSA-N -1 0 315.337 -0.575 20 0 DBADRM CCCC(=O)N(C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001434033890 1002182441 /nfs/dbraw/zinc/18/24/41/1002182441.db2.gz MMUSYKKKYODYLK-UHFFFAOYSA-N -1 0 308.338 -0.431 20 0 DBADRM C[C@@]1(NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CCOC1=O ZINC001434045615 1002191545 /nfs/dbraw/zinc/19/15/45/1002191545.db2.gz PRKMWBSECKEZGP-CQSZACIVSA-N -1 0 318.289 -0.298 20 0 DBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001591726516 1016583689 /nfs/dbraw/zinc/58/36/89/1016583689.db2.gz AOTRYIKRGGHXEZ-AOOOYVTPSA-N -1 0 322.383 -0.690 20 0 DBADRM COc1ccc([C@H](CO)CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC001434062436 1002214102 /nfs/dbraw/zinc/21/41/02/1002214102.db2.gz DKYHGWNOJOSQOS-VIFPVBQESA-N -1 0 320.305 -0.203 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)C1CC=CC1 ZINC001591763942 1016586774 /nfs/dbraw/zinc/58/67/74/1016586774.db2.gz IZTOPQKFKMKZHE-SECBINFHSA-N -1 0 314.353 -0.039 20 0 DBADRM C[C@@H]1[C@H](O)CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591758237 1016588093 /nfs/dbraw/zinc/58/80/93/1016588093.db2.gz XBZNHBJKGTUNTF-HTQZYQBOSA-N -1 0 313.339 -0.006 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC[C@H]2CCCCO2)c(=O)n1C ZINC001591793828 1016590438 /nfs/dbraw/zinc/59/04/38/1016590438.db2.gz KMCZHQMZTMLINL-SNVBAGLBSA-N -1 0 320.353 -0.005 20 0 DBADRM C[C@@]1(O)C[C@H](NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001434099196 1002251167 /nfs/dbraw/zinc/25/11/67/1002251167.db2.gz AXJKVRSCCXKKRY-DEZZCRIOSA-N -1 0 304.306 -0.091 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)Cc2nocc2C)CCOC1 ZINC001414222416 1002259595 /nfs/dbraw/zinc/25/95/95/1002259595.db2.gz JSRRGSPOVKLMOS-NSHDSACASA-N -1 0 304.324 -0.265 20 0 DBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ccon1 ZINC001425660630 1002268742 /nfs/dbraw/zinc/26/87/42/1002268742.db2.gz AGRIMHNRIORIEN-MRVPVSSYSA-N -1 0 310.314 -0.686 20 0 DBADRM CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001495257236 1016594341 /nfs/dbraw/zinc/59/43/41/1016594341.db2.gz XCVIRIQGJLGCBE-MRVPVSSYSA-N -1 0 323.353 -0.093 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CCc2cncn2C1 ZINC001434121604 1002273514 /nfs/dbraw/zinc/27/35/14/1002273514.db2.gz XGTCYXOVFJGBFX-SECBINFHSA-N -1 0 306.326 -0.203 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H]1CCCC2(CCC2)O1 ZINC001414242023 1002276174 /nfs/dbraw/zinc/27/61/74/1002276174.db2.gz MWJVCEGSGFOTCR-QWRGUYRKSA-N -1 0 321.395 -0.069 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H]1CCCC2(CCC2)O1 ZINC001414242020 1002277393 /nfs/dbraw/zinc/27/73/93/1002277393.db2.gz MWJVCEGSGFOTCR-MNOVXSKESA-N -1 0 321.395 -0.069 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1 ZINC001414262204 1002287846 /nfs/dbraw/zinc/28/78/46/1002287846.db2.gz GGHJGEDGJHFZIC-UHFFFAOYSA-N -1 0 315.307 -0.402 20 0 DBADRM CCC(=O)NCc1nc(CNC(=O)[C@@H](C)NC(C)=O)cc(=O)[nH]1 ZINC001414268911 1002300392 /nfs/dbraw/zinc/30/03/92/1002300392.db2.gz ONLKFXNBVWXEKP-MRVPVSSYSA-N -1 0 323.353 -0.651 20 0 DBADRM CCOC(=O)C1(S(=O)(=O)NCc2nc(=O)o[n-]2)CCC1 ZINC001414275124 1002302928 /nfs/dbraw/zinc/30/29/28/1002302928.db2.gz MFCKHANWRKJGKK-UHFFFAOYSA-N -1 0 305.312 -0.732 20 0 DBADRM NC(=O)[C@@]1(NS(=O)(=O)c2cc([O-])cc(F)c2)CCOC1 ZINC001414291123 1002308871 /nfs/dbraw/zinc/30/88/71/1002308871.db2.gz AXQTWEBGEZWHNI-LLVKDONJSA-N -1 0 304.299 -0.546 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)c1cccc(=O)n1C)C(=O)[O-] ZINC001591876434 1016608527 /nfs/dbraw/zinc/60/85/27/1016608527.db2.gz KNOJWPGLFRNKBQ-LBPRGKRZSA-N -1 0 310.306 -0.233 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@]12C[C@H]1COC2 ZINC001591835643 1016600829 /nfs/dbraw/zinc/60/08/29/1016600829.db2.gz OCWNSSHBUDCSNQ-CPFSXVBKSA-N -1 0 302.294 -0.206 20 0 DBADRM CSCC[C@H](NC(=O)c1ccc(=O)n(C)n1)c1nnn[n-]1 ZINC001434198228 1002313899 /nfs/dbraw/zinc/31/38/99/1002313899.db2.gz AMVRRJNABIIFDU-ZETCQYMHSA-N -1 0 309.355 -0.482 20 0 DBADRM CSCC[C@H](NC(=O)[C@H]1NC(=O)O[C@@H]1C)c1nnn[n-]1 ZINC001434198184 1002314937 /nfs/dbraw/zinc/31/49/37/1002314937.db2.gz AAXATXOEEHONMP-VQVTYTSYSA-N -1 0 300.344 -0.393 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(C(=O)[O-])cn1 ZINC001591845934 1016601574 /nfs/dbraw/zinc/60/15/74/1016601574.db2.gz HRTCTYUYIFKLGJ-SDDRHHMPSA-N -1 0 320.349 -0.019 20 0 DBADRM CC(C)[C@@H](O)C(=O)NC/C=C/CNc1ccnc(C(=O)[O-])n1 ZINC001591845906 1016601672 /nfs/dbraw/zinc/60/16/72/1016601672.db2.gz GHSUQZAONKREQY-PGLGOXFNSA-N -1 0 308.338 -0.302 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)n(CC(=O)N2CCOCC2)c1 ZINC001591836414 1016601910 /nfs/dbraw/zinc/60/19/10/1016601910.db2.gz SCVGLMJZXHKEIH-UHFFFAOYSA-N -1 0 304.310 -0.804 20 0 DBADRM CSCC[C@H](NC(=O)[C@@H]1CSCC(=O)N1)c1nnn[n-]1 ZINC001434200985 1002317582 /nfs/dbraw/zinc/31/75/82/1002317582.db2.gz NPSHKPSEARBDAW-BQBZGAKWSA-N -1 0 316.412 -0.658 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CN(C)C(=O)[C@H]1C ZINC001591834607 1016602160 /nfs/dbraw/zinc/60/21/60/1016602160.db2.gz HJEREDGNPFMWHB-SSDOTTSWSA-N -1 0 317.309 -0.464 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CC[C@@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001591844780 1016602505 /nfs/dbraw/zinc/60/25/05/1016602505.db2.gz OQYHKBDXHXOHPB-CMPLNLGQSA-N -1 0 322.365 -0.126 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCS(=O)(=O)[C@H](C)C1)C(=O)[O-] ZINC001591870301 1016603621 /nfs/dbraw/zinc/60/36/21/1016603621.db2.gz JIXVAWHHERZDHT-KOLCDFICSA-N -1 0 306.384 -0.669 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCCS(=O)(=O)C[C@@H]1C)C(=O)[O-] ZINC001591868335 1016603702 /nfs/dbraw/zinc/60/37/02/1016603702.db2.gz WIPFYZZOSZQKKD-JQWIXIFHSA-N -1 0 320.411 -0.279 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCC[C@H]1c1nc(=N)n(C)[nH]1)C(=O)[O-] ZINC001591868620 1016604597 /nfs/dbraw/zinc/60/45/97/1016604597.db2.gz XRBPZQLPJNNGCC-ONGXEEELSA-N -1 0 324.385 -0.410 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)C(=O)[O-] ZINC001591867110 1016604820 /nfs/dbraw/zinc/60/48/20/1016604820.db2.gz PJOHILMHEYHXQS-JQWIXIFHSA-N -1 0 313.354 -0.262 20 0 DBADRM Cc1cc(C)c(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)o1 ZINC001425728213 1002338924 /nfs/dbraw/zinc/33/89/24/1002338924.db2.gz CIYAJTNIHCHVPB-SECBINFHSA-N -1 0 309.326 -0.399 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)[N-]n2ccc(=O)[nH]c2=O)cs1 ZINC001434245053 1002341905 /nfs/dbraw/zinc/34/19/05/1002341905.db2.gz PNHRAPUCVTVVIH-UHFFFAOYSA-N -1 0 315.332 -0.202 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1cc(Br)[nH]n1 ZINC001434246513 1002342156 /nfs/dbraw/zinc/34/21/56/1002342156.db2.gz UBWOZMIQNVFKDZ-UHFFFAOYSA-N -1 0 300.072 -0.182 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC001434249763 1002344769 /nfs/dbraw/zinc/34/47/69/1002344769.db2.gz NPWNLEMPUVVMAN-SNVBAGLBSA-N -1 0 308.342 -0.972 20 0 DBADRM Cn1nc(C(=O)[N-]n2ccc(=O)[nH]c2=O)cc1OC(F)F ZINC001434248434 1002344960 /nfs/dbraw/zinc/34/49/60/1002344960.db2.gz ZSVVEWRAOPZOJF-UHFFFAOYSA-N -1 0 301.209 -0.332 20 0 DBADRM O=C(COc1ccc(CO)cc1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001434275394 1002351361 /nfs/dbraw/zinc/35/13/61/1002351361.db2.gz NVVSFFUNQMZBOF-GFCCVEGCSA-N -1 0 319.321 -0.329 20 0 DBADRM COc1ccccc1[C@@H](O)C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001434273982 1002352996 /nfs/dbraw/zinc/35/29/96/1002352996.db2.gz ILKMOPAYCQQYJS-CMPLNLGQSA-N -1 0 319.321 -0.158 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC001434278945 1002354908 /nfs/dbraw/zinc/35/49/08/1002354908.db2.gz YUGZZWWAENETDY-NTSWFWBYSA-N -1 0 310.232 -0.682 20 0 DBADRM Cc1cn2c(n1)C[C@@H](C(=O)N1CCOC[C@@H]1c1nnn[n-]1)CC2 ZINC001434278385 1002355622 /nfs/dbraw/zinc/35/56/22/1002355622.db2.gz UHLBIXRMLFQBTC-WDEREUQCSA-N -1 0 317.353 -0.133 20 0 DBADRM O=C([C@@H]1CCc2nnnn2CC1)N1CCC(c2nnn[n-]2)CC1 ZINC001434300275 1002361903 /nfs/dbraw/zinc/36/19/03/1002361903.db2.gz KEMHHOFONOFUIN-SNVBAGLBSA-N -1 0 317.357 -0.455 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2cc(C)ncn2)c1[O-] ZINC001425744530 1002363759 /nfs/dbraw/zinc/36/37/59/1002363759.db2.gz QQJYJHMMUIXQHE-LLVKDONJSA-N -1 0 320.353 -0.597 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2ccn(C)n2)c1[O-] ZINC001425743516 1002363848 /nfs/dbraw/zinc/36/38/48/1002363848.db2.gz PMXUWRFQVXTCNU-SNVBAGLBSA-N -1 0 308.342 -0.962 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001434302230 1002365333 /nfs/dbraw/zinc/36/53/33/1002365333.db2.gz SGXLCGCHFAJWCG-GZMMTYOYSA-N -1 0 322.369 -0.819 20 0 DBADRM COCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CCOCC1 ZINC001434311453 1002370904 /nfs/dbraw/zinc/37/09/04/1002370904.db2.gz KCYLKLWUTBFNSD-UHFFFAOYSA-N -1 0 300.315 -0.657 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCN3C(=O)N=NC3C2)n1 ZINC001591889013 1016611235 /nfs/dbraw/zinc/61/12/35/1016611235.db2.gz YIBLNTMLMKFMKC-UHFFFAOYSA-N -1 0 300.286 -0.718 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001591894315 1016611437 /nfs/dbraw/zinc/61/14/37/1016611437.db2.gz GXYYHBPHLOGLEA-UTLUCORTSA-N -1 0 301.343 -0.467 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC001414445520 1002375122 /nfs/dbraw/zinc/37/51/22/1002375122.db2.gz DGPYVUYIOINMFN-OUAUKWLOSA-N -1 0 312.374 -0.198 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCO[C@@H](c2ccnn2C)C1 ZINC001414446920 1002376356 /nfs/dbraw/zinc/37/63/56/1002376356.db2.gz NHTRJMSKUBUUFH-SNVBAGLBSA-N -1 0 306.330 -0.546 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001591894732 1016611712 /nfs/dbraw/zinc/61/17/12/1016611712.db2.gz VQZCUIFCRSXQNR-KOLCDFICSA-N -1 0 309.326 -0.480 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)N=c2nn[n-]n2CC)[C@]12CCCO2 ZINC001414447454 1002376526 /nfs/dbraw/zinc/37/65/26/1002376526.db2.gz MRXYHMDEDSBLAL-GIPNMCIBSA-N -1 0 310.358 -0.037 20 0 DBADRM CC(C)[C@H](NC=O)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001591894621 1016611916 /nfs/dbraw/zinc/61/19/16/1016611916.db2.gz RWYLGHLKKLGJAO-NSHDSACASA-N -1 0 311.338 -0.021 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001425754101 1002379864 /nfs/dbraw/zinc/37/98/64/1002379864.db2.gz MNCSCWBETKCJJH-VIFPVBQESA-N -1 0 307.358 -0.363 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](CO)c1ccccc1OC ZINC001425758814 1002384687 /nfs/dbraw/zinc/38/46/87/1002384687.db2.gz NOXACZVDVUJROD-JTQLQIEISA-N -1 0 306.326 -0.021 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCN3C(=O)OC[C@H]3C2)n1 ZINC001591887647 1016613311 /nfs/dbraw/zinc/61/33/11/1016613311.db2.gz DFJIEQFWGHFIPR-MRVPVSSYSA-N -1 0 302.298 -0.394 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCN(S(C)(=O)=O)CC2)n1 ZINC001591887557 1016613593 /nfs/dbraw/zinc/61/35/93/1016613593.db2.gz MSNQLMUANJOJTQ-UHFFFAOYSA-N -1 0 324.370 -0.953 20 0 DBADRM Cc1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c(C)nn1 ZINC001591928484 1016619770 /nfs/dbraw/zinc/61/97/70/1016619770.db2.gz DBQIDHJFVJOBCZ-UHFFFAOYSA-N -1 0 314.313 -0.705 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1cc(C(=O)[O-])no1 ZINC001591905415 1016615976 /nfs/dbraw/zinc/61/59/76/1016615976.db2.gz NYXCMFOFGXKMDK-QMMMGPOBSA-N -1 0 305.312 -0.115 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001591902876 1016616150 /nfs/dbraw/zinc/61/61/50/1016616150.db2.gz IELGVZBSRCQYNO-UHFFFAOYSA-N -1 0 315.297 -0.896 20 0 DBADRM Cc1cc(C(=O)N2CCN(C)C[C@@H]2CO)ncc1-c1nn[nH]n1 ZINC001591915924 1016616565 /nfs/dbraw/zinc/61/65/65/1016616565.db2.gz SQFFROFEGJTDRT-SNVBAGLBSA-N -1 0 317.353 -0.681 20 0 DBADRM COC[C@@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)c1nnn[n-]1 ZINC001434363572 1002415854 /nfs/dbraw/zinc/41/58/54/1002415854.db2.gz NMNADZXOKMUFQU-LLVKDONJSA-N -1 0 316.321 -0.259 20 0 DBADRM C[C@]1([C@H]2CCCN(C(=O)CCc3nnn[n-]3)C2)COC(=O)N1 ZINC001434372072 1002425579 /nfs/dbraw/zinc/42/55/79/1002425579.db2.gz ZXBWRIBPCFFYTQ-TVQRCGJNSA-N -1 0 308.342 -0.131 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]2CC23CC3)c1[O-] ZINC001425783406 1002426390 /nfs/dbraw/zinc/42/63/90/1002426390.db2.gz KUVVSBDPYUWVBV-UWVGGRQHSA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc(C)c1-c1nn[nH]n1 ZINC001591935391 1016621023 /nfs/dbraw/zinc/62/10/23/1016621023.db2.gz OBQSAPDTGDBAEP-UHFFFAOYSA-N -1 0 316.281 -0.130 20 0 DBADRM CCS(=O)(=O)CC(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001434390451 1002440468 /nfs/dbraw/zinc/44/04/68/1002440468.db2.gz SJUGILSBURBIOG-UHFFFAOYSA-N -1 0 317.367 -0.368 20 0 DBADRM CCOC(=O)[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001434398807 1002444586 /nfs/dbraw/zinc/44/45/86/1002444586.db2.gz HUHRVCHUMLKTQI-SECBINFHSA-N -1 0 319.321 -0.517 20 0 DBADRM Cn1nccc1[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC001434396697 1002444611 /nfs/dbraw/zinc/44/46/11/1002444611.db2.gz QAVKFSGISFATOQ-QMMMGPOBSA-N -1 0 306.282 -0.770 20 0 DBADRM CO[C@@]1(C(=O)N[C@@H](C)c2nn(C)cc2[O-])CCS(=O)(=O)C1 ZINC001434407666 1002454286 /nfs/dbraw/zinc/45/42/86/1002454286.db2.gz PJCGHGBCVHHCBN-UFBFGSQYSA-N -1 0 317.367 -0.493 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1[O-] ZINC001434409709 1002456259 /nfs/dbraw/zinc/45/62/59/1002456259.db2.gz NNKAWODHMFADNQ-MRVPVSSYSA-N -1 0 304.310 -0.072 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H](O)[C@@H](F)C2)c1 ZINC001434412905 1002457609 /nfs/dbraw/zinc/45/76/09/1002457609.db2.gz BRDOHXPRFVLICX-ONGXEEELSA-N -1 0 318.326 -0.416 20 0 DBADRM Cc1nn(C)c(C)c1[C@H](O)CNC(=O)CCCc1nnn[n-]1 ZINC001434418807 1002462552 /nfs/dbraw/zinc/46/25/52/1002462552.db2.gz XBCFBFNXFRURHY-SNVBAGLBSA-N -1 0 307.358 -0.277 20 0 DBADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1C[C@H](CCO)[C@H](CO)C1 ZINC001434423154 1002464072 /nfs/dbraw/zinc/46/40/72/1002464072.db2.gz VJKZOEMTNHKSOR-IUCAKERBSA-N -1 0 307.306 -0.009 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)[C@@H]2CCO[C@H]2C2CC2)n[n-]1 ZINC001434428524 1002466598 /nfs/dbraw/zinc/46/65/98/1002466598.db2.gz RIDRBGQLUIXUHW-SFYZADRCSA-N -1 0 300.340 -0.038 20 0 DBADRM O=C(CC[C@H]1CC[C@@H](C2OCCO2)O1)NCc1n[nH]c(=O)[n-]1 ZINC001434431307 1002470060 /nfs/dbraw/zinc/47/00/60/1002470060.db2.gz OIFSOILTKLUQFP-BDAKNGLRSA-N -1 0 312.326 -0.173 20 0 DBADRM NC(=O)[C@@H](F)C1CCN(Cc2cc(=O)n3[n-]c(N)nc3n2)CC1 ZINC001434481440 1002494472 /nfs/dbraw/zinc/49/44/72/1002494472.db2.gz GFJSKKDWCSAIPC-JTQLQIEISA-N -1 0 323.332 -0.965 20 0 DBADRM CC(C)n1cnc(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)n1 ZINC001592145403 1016631287 /nfs/dbraw/zinc/63/12/87/1016631287.db2.gz BPYINGWHOZKPKI-BRPSZJMVSA-N -1 0 307.310 -0.414 20 0 DBADRM CC(C)n1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC001592138138 1016631434 /nfs/dbraw/zinc/63/14/34/1016631434.db2.gz PJDMMOZQEWUIJT-LLVKDONJSA-N -1 0 324.337 -0.608 20 0 DBADRM C[C@H]1C[C@H](NS(=O)(=O)c2ncc[n-]2)C(=O)N1c1cnn(C)c1 ZINC001434555878 1002521162 /nfs/dbraw/zinc/52/11/62/1002521162.db2.gz BYHGJAVJLXYQAO-WPRPVWTQSA-N -1 0 324.366 -0.385 20 0 DBADRM CC(C)n1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001592122615 1016633521 /nfs/dbraw/zinc/63/35/21/1016633521.db2.gz SOSSCJYNOYZMQC-NXEZZACHSA-N -1 0 321.337 -0.480 20 0 DBADRM C[C@H](C1CC1)N(C)S(=O)(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001592178640 1016634200 /nfs/dbraw/zinc/63/42/00/1016634200.db2.gz QRURXKZBQPOQHN-YDNLMGDJSA-N -1 0 306.384 -0.223 20 0 DBADRM CNS(=O)(=O)CCNS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001434565339 1002530041 /nfs/dbraw/zinc/53/00/41/1002530041.db2.gz AWDGBQVZOOYBRX-UHFFFAOYSA-N -1 0 312.344 -0.641 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001592192458 1016634315 /nfs/dbraw/zinc/63/43/15/1016634315.db2.gz MVXJJYXXEFJXLE-APNFWDHKSA-N -1 0 306.322 -0.438 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC001592210189 1016634537 /nfs/dbraw/zinc/63/45/37/1016634537.db2.gz BIVIRZBKBUFVGO-RMGQIXRRSA-N -1 0 323.334 -0.030 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1noc(C2CC2)n1 ZINC001434565470 1002533577 /nfs/dbraw/zinc/53/35/77/1002533577.db2.gz KRISHOLUNQBJKO-QMMMGPOBSA-N -1 0 319.339 -0.710 20 0 DBADRM COC(=O)C1([N-]S(=O)(=O)Cc2noc(C)n2)CCOCC1 ZINC001434568789 1002535568 /nfs/dbraw/zinc/53/55/68/1002535568.db2.gz PNCLXQLWNURQNJ-UHFFFAOYSA-N -1 0 319.339 -0.480 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)CN1CCOCC1=O)c1cccnc1 ZINC001592282892 1016640946 /nfs/dbraw/zinc/64/09/46/1016640946.db2.gz RBORZVRAMLVNDC-OAHLLOKOSA-N -1 0 321.333 -0.254 20 0 DBADRM Cc1ccc2nc(Cn3cc(-c4nnn[n-]4)nn3)cc(=O)n2c1 ZINC001592207684 1016635613 /nfs/dbraw/zinc/63/56/13/1016635613.db2.gz LVBIMONUYYQYSB-UHFFFAOYSA-N -1 0 309.293 -0.177 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@@](C)(CO)C(=O)OC ZINC001434576950 1002538935 /nfs/dbraw/zinc/53/89/35/1002538935.db2.gz UFFSHGSPTKETPN-NSHDSACASA-N -1 0 311.356 -0.971 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NS(=O)(=O)c1cnn2c1OCCC2 ZINC001592212426 1016635693 /nfs/dbraw/zinc/63/56/93/1016635693.db2.gz RNJMJNPTVVWVGU-RTMURIBGSA-N -1 0 301.324 -0.027 20 0 DBADRM Cc1cccc(-c2nn[nH]n2)c1S(=O)(=O)N(C)CC(=O)[O-] ZINC001592209591 1016636011 /nfs/dbraw/zinc/63/60/11/1016636011.db2.gz YPCFUJSGGZYVCJ-UHFFFAOYSA-N -1 0 311.323 -0.120 20 0 DBADRM O=C1NCCn2c(CNS(=O)(=O)c3ccccc3[O-])nnc21 ZINC001434609223 1002552681 /nfs/dbraw/zinc/55/26/81/1002552681.db2.gz XHXOEWAXRBZDFC-UHFFFAOYSA-N -1 0 323.334 -0.794 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)n1 ZINC001434608638 1002552739 /nfs/dbraw/zinc/55/27/39/1002552739.db2.gz BZPUYGDSSRJUEP-UHFFFAOYSA-N -1 0 308.323 -0.470 20 0 DBADRM C[C@H](CC(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001592255155 1016637668 /nfs/dbraw/zinc/63/76/68/1016637668.db2.gz ZMBMXLHWCWMEGC-MWLCHTKSSA-N -1 0 322.365 -0.078 20 0 DBADRM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001592255156 1016638573 /nfs/dbraw/zinc/63/85/73/1016638573.db2.gz ZMBMXLHWCWMEGC-ONGXEEELSA-N -1 0 322.365 -0.078 20 0 DBADRM CC(=O)NC[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)C1CC1 ZINC001414823508 1002560096 /nfs/dbraw/zinc/56/00/96/1002560096.db2.gz OFVVIQGRTJLNLX-LLVKDONJSA-N -1 0 303.322 -0.333 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H](O)c1ccnn1C ZINC001434637606 1002562625 /nfs/dbraw/zinc/56/26/25/1002562625.db2.gz YMDPUBCQYNMMRE-JTQLQIEISA-N -1 0 324.428 -0.204 20 0 DBADRM C[C@@H](CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])c1cnn(C)c1 ZINC001592237308 1016639391 /nfs/dbraw/zinc/63/93/91/1016639391.db2.gz XKKYPYJBGPAMCV-GXSJLCMTSA-N -1 0 308.338 -0.285 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccccn1 ZINC001592298317 1016642063 /nfs/dbraw/zinc/64/20/63/1016642063.db2.gz YFEOOTUOYYWZBL-RTHLEPHNSA-N -1 0 320.305 -0.514 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H](O)Cc1cccc(F)c1 ZINC001434729639 1002580474 /nfs/dbraw/zinc/58/04/74/1002580474.db2.gz HJTGBGRMODJOGP-NSHDSACASA-N -1 0 308.317 -0.021 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H](O)Cc1ccc(F)cc1 ZINC001434729852 1002580595 /nfs/dbraw/zinc/58/05/95/1002580595.db2.gz JFAOHNJDCUDFLY-LLVKDONJSA-N -1 0 308.317 -0.021 20 0 DBADRM Cc1ccoc1CN(C)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001592281808 1016642212 /nfs/dbraw/zinc/64/22/12/1016642212.db2.gz BYQYKCPQVYCBDF-UHFFFAOYSA-N -1 0 317.309 -0.208 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)C[C@@H]1CC(=O)NC1=O)c1ccccn1 ZINC001592281359 1016642253 /nfs/dbraw/zinc/64/22/53/1016642253.db2.gz VRJXCQNKVQYJGB-VFZGTOFNSA-N -1 0 319.317 -0.060 20 0 DBADRM Cc1ccn(CN2C[C@@H]3COC[C@H](C2)O3)c(=O)c1-c1nnn[n-]1 ZINC001592266453 1016642667 /nfs/dbraw/zinc/64/26/67/1016642667.db2.gz CDCVWMGKEHPCHX-PHIMTYICSA-N -1 0 318.337 -0.606 20 0 DBADRM Cc1ccoc1C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001592280003 1016642922 /nfs/dbraw/zinc/64/29/22/1016642922.db2.gz GPVGJBPVBSVGAX-UHFFFAOYSA-N -1 0 314.309 -0.178 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)CN1CCS(=O)(=O)CC1)C1CC1 ZINC001592283310 1016643139 /nfs/dbraw/zinc/64/31/39/1016643139.db2.gz ZCCCDDIXMWWPGO-ZDUSSCGKSA-N -1 0 318.395 -0.524 20 0 DBADRM C[C@](CC(=O)[O-])(NC(=O)C[C@H]1CC(=O)NC1=O)c1ccccn1 ZINC001592281358 1016643231 /nfs/dbraw/zinc/64/32/31/1016643231.db2.gz VRJXCQNKVQYJGB-RFAUZJTJSA-N -1 0 319.317 -0.060 20 0 DBADRM Cc1cnn(C)c1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592303289 1016643308 /nfs/dbraw/zinc/64/33/08/1016643308.db2.gz ZSABXJFWNLREKJ-UHFFFAOYSA-N -1 0 317.317 -0.678 20 0 DBADRM Cc1ccn(CN(C)CC(=O)NC(C)C)c(=O)c1-c1nnn[n-]1 ZINC001592266248 1016643649 /nfs/dbraw/zinc/64/36/49/1016643649.db2.gz SFBAUPITCYZNBL-UHFFFAOYSA-N -1 0 319.369 -0.249 20 0 DBADRM CC(C)C(=O)N[C@H]1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001414990330 1002623601 /nfs/dbraw/zinc/62/36/01/1002623601.db2.gz FJJNBEJSRRCPPA-DTORHVGOSA-N -1 0 323.353 -0.365 20 0 DBADRM Cc1nc(C(=O)N(C)Cc2nc(=O)o[n-]2)ccc1-c1nn[nH]n1 ZINC001592340301 1016652172 /nfs/dbraw/zinc/65/21/72/1016652172.db2.gz KAUALMWQHCZJBH-UHFFFAOYSA-N -1 0 316.281 -0.481 20 0 DBADRM CCn1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])n1 ZINC001597907535 1017213746 /nfs/dbraw/zinc/21/37/46/1017213746.db2.gz SVJXVVAODWVKJL-PSASIEDQSA-N -1 0 310.310 -0.722 20 0 DBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1nnnn1C ZINC001435684648 1002659365 /nfs/dbraw/zinc/65/93/65/1002659365.db2.gz RTGPXFRNNZHOEO-UHFFFAOYSA-N -1 0 302.298 -0.244 20 0 DBADRM Cn1[nH]c(CN2CCN(C(=O)[C@@H]3CCCOC3)CC2)nc1=O ZINC001415108907 1002672608 /nfs/dbraw/zinc/67/26/08/1002672608.db2.gz SNTIZNRNWMDDMQ-LLVKDONJSA-N -1 0 309.370 -0.821 20 0 DBADRM C[C@H](CNC(=O)CC1CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001415138351 1002693259 /nfs/dbraw/zinc/69/32/59/1002693259.db2.gz OLRMYYNZHBYOLP-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)OCC(=O)N1CCC(C(N)=O)CC1 ZINC001592403005 1016657961 /nfs/dbraw/zinc/65/79/61/1016657961.db2.gz SDCDUYKAXVRXKW-SECBINFHSA-N -1 0 314.338 -0.246 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)NCCc1nnc2n1CCNC2=O ZINC001592388237 1016659176 /nfs/dbraw/zinc/65/91/76/1016659176.db2.gz OKRNHVDCNHGJTO-QMMMGPOBSA-N -1 0 309.326 -0.819 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)CS(=O)(=O)C2CC2)CC1 ZINC001592410468 1016660809 /nfs/dbraw/zinc/66/08/09/1016660809.db2.gz HHQQLXAHDYDWCA-SNVBAGLBSA-N -1 0 318.395 -0.429 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])cc1-c1nn[nH]n1 ZINC001592413773 1016664725 /nfs/dbraw/zinc/66/47/25/1016664725.db2.gz WLYINXRRWFEKQA-VIFPVBQESA-N -1 0 324.322 -0.582 20 0 DBADRM Cc1nocc1C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001592464190 1016673266 /nfs/dbraw/zinc/67/32/66/1016673266.db2.gz YZHUNZOTPOANKA-UHFFFAOYSA-N -1 0 315.297 -0.783 20 0 DBADRM C[C@@H](CC(C)(C)O)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001592446321 1016667203 /nfs/dbraw/zinc/66/72/03/1016667203.db2.gz VYOYWUAEWHVNSB-CIUDSAMLSA-N -1 0 303.359 -0.187 20 0 DBADRM Cc1nnc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)s1 ZINC001592448599 1016668402 /nfs/dbraw/zinc/66/84/02/1016668402.db2.gz ATVPGZUOCATJSH-BYPYZUCNSA-N -1 0 306.315 -0.182 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)Cn2cnc(-c3nnn[n-]3)n2)o1 ZINC001592441951 1016669521 /nfs/dbraw/zinc/66/95/21/1016669521.db2.gz WGBWPLZGWPUHMZ-YFKPBYRVSA-N -1 0 304.274 -0.973 20 0 DBADRM C[C@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001415241025 1002769221 /nfs/dbraw/zinc/76/92/21/1002769221.db2.gz MKIDDIJVSVROLE-YIZRAAEISA-N -1 0 308.338 -0.624 20 0 DBADRM Cc1nn(C[C@H]2CCc3ncnn32)c(=O)c(-c2nnn[n-]2)c1C ZINC001592436473 1016670731 /nfs/dbraw/zinc/67/07/31/1016670731.db2.gz RVDWTCQIRGOPNN-SECBINFHSA-N -1 0 313.325 -0.181 20 0 DBADRM Cc1nn(CC(=O)Nc2ccon2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592438681 1016670776 /nfs/dbraw/zinc/67/07/76/1016670776.db2.gz LFGQYXBLNOTQSE-UHFFFAOYSA-N -1 0 316.281 -0.333 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415248559 1002776731 /nfs/dbraw/zinc/77/67/31/1002776731.db2.gz TZLGPVORDAEDDW-AXTSPUMRSA-N -1 0 323.353 -0.644 20 0 DBADRM Cc1nn(CC(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)c(=O)o1 ZINC001592438955 1016671143 /nfs/dbraw/zinc/67/11/43/1016671143.db2.gz YTNMFSJYRDWKTB-UHFFFAOYSA-N -1 0 317.265 -0.565 20 0 DBADRM COC[C@H](OC)C(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001415260428 1002786760 /nfs/dbraw/zinc/78/67/60/1002786760.db2.gz QJPPZSWJDHLHMA-APPZFPTMSA-N -1 0 314.342 -0.680 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CC1 ZINC001592451944 1016672877 /nfs/dbraw/zinc/67/28/77/1016672877.db2.gz JCEUOFPLORJARQ-QMMMGPOBSA-N -1 0 321.337 -0.253 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001592454719 1016673579 /nfs/dbraw/zinc/67/35/79/1016673579.db2.gz RAKIADUVOMJMKG-WPRPVWTQSA-N -1 0 321.337 -0.301 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001592453355 1016673932 /nfs/dbraw/zinc/67/39/32/1016673932.db2.gz FYGVDDQPRMIYMS-VIFPVBQESA-N -1 0 321.337 -0.665 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001592452870 1016675230 /nfs/dbraw/zinc/67/52/30/1016675230.db2.gz QSFZSTJEXPMTCB-YUMQZZPRSA-N -1 0 317.342 -0.266 20 0 DBADRM C[C@](CCF)(NC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC001592498234 1016677723 /nfs/dbraw/zinc/67/77/23/1016677723.db2.gz PQQKIRHOAKMNBS-GFCCVEGCSA-N -1 0 311.273 -0.790 20 0 DBADRM C[C@](CCF)(NC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)[O-] ZINC001592498250 1016677974 /nfs/dbraw/zinc/67/79/74/1016677974.db2.gz QMGOCRIIUXQCOD-CYBMUJFWSA-N -1 0 314.317 -0.300 20 0 DBADRM C[C@@](CCF)(NC(=O)c1ccc(-n2cnnn2)cn1)C(=O)[O-] ZINC001592497837 1016678132 /nfs/dbraw/zinc/67/81/32/1016678132.db2.gz IDEAXQPYKZUAPS-LBPRGKRZSA-N -1 0 308.273 -0.010 20 0 DBADRM C[C@@](CCF)(NC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001592495655 1016679076 /nfs/dbraw/zinc/67/90/76/1016679076.db2.gz OFPKUQBLLCFDMB-LBPRGKRZSA-N -1 0 324.374 -0.023 20 0 DBADRM C[C@@](CCF)(NC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC001592498235 1016679265 /nfs/dbraw/zinc/67/92/65/1016679265.db2.gz PQQKIRHOAKMNBS-LBPRGKRZSA-N -1 0 311.273 -0.790 20 0 DBADRM CN(CCNC(=O)C1CC1)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001415432265 1002832398 /nfs/dbraw/zinc/83/23/98/1002832398.db2.gz KMORVVCTAKKOAU-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CCCCC(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001415450136 1002838379 /nfs/dbraw/zinc/83/83/79/1002838379.db2.gz ONMGRFTVMUKBNU-UHFFFAOYSA-N -1 0 310.354 -0.136 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H]1CCNC1=O)Nc1ccnc(C(=O)[O-])n1 ZINC001592512716 1016681771 /nfs/dbraw/zinc/68/17/71/1016681771.db2.gz CHQGZIAFPHNDQY-IUCAKERBSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@H](CCNC(=O)[C@@H]1COCCO1)Nc1ncc(C(=O)[O-])cn1 ZINC001592512660 1016683022 /nfs/dbraw/zinc/68/30/22/1016683022.db2.gz BCHKLTBOHTTXHU-KOLCDFICSA-N -1 0 324.337 -0.103 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NCc2nnnn2C2CC2)c1[O-] ZINC001437120426 1002859351 /nfs/dbraw/zinc/85/93/51/1002859351.db2.gz GDCREFDPWMGGNJ-SSDOTTSWSA-N -1 0 320.357 -0.347 20 0 DBADRM CCn1ncc(CN[C@H](C)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001437129708 1002862584 /nfs/dbraw/zinc/86/25/84/1002862584.db2.gz UBNFDPFQEMIGMQ-MRVPVSSYSA-N -1 0 307.358 -0.057 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)c1cncn1C ZINC001592529472 1016685482 /nfs/dbraw/zinc/68/54/82/1016685482.db2.gz BERCPSAFFTZHGS-SECBINFHSA-N -1 0 318.337 -0.049 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)Oc1cccnc1-c1nnn[n-]1 ZINC001592517176 1016685558 /nfs/dbraw/zinc/68/55/58/1016685558.db2.gz YRJBSSZDFYNZGD-UHFFFAOYSA-N -1 0 323.294 -0.092 20 0 DBADRM Cc1nc(CN[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)cs1 ZINC001437164781 1002872920 /nfs/dbraw/zinc/87/29/20/1002872920.db2.gz IHHQRFKQVWBOQC-ZCFIWIBFSA-N -1 0 324.366 -0.044 20 0 DBADRM Cc1oncc1CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001592517395 1016686253 /nfs/dbraw/zinc/68/62/53/1016686253.db2.gz MTPYBFXHKOUXEQ-UHFFFAOYSA-N -1 0 304.270 -0.425 20 0 DBADRM C[C@@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001592530639 1016686557 /nfs/dbraw/zinc/68/65/57/1016686557.db2.gz KTNBJPLYYVKLIW-SFGNSQDASA-N -1 0 321.337 -0.397 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2COC(C)(C)C2)n(C)c1=O ZINC001592554810 1016695818 /nfs/dbraw/zinc/69/58/18/1016695818.db2.gz ADAVAGAGDNEOJT-ZETCQYMHSA-N -1 0 321.341 -0.757 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)c2ccsc2)c1=O ZINC001592558150 1016695853 /nfs/dbraw/zinc/69/58/53/1016695853.db2.gz QKCDROGRFUTWGW-UHFFFAOYSA-N -1 0 318.318 -0.329 20 0 DBADRM C[C@@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)c1cnn(C)n1 ZINC001592531035 1016688655 /nfs/dbraw/zinc/68/86/55/1016688655.db2.gz QKTRMTRNOWSXBQ-QMMMGPOBSA-N -1 0 319.325 -0.076 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)C1CCC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001426800761 1002892919 /nfs/dbraw/zinc/89/29/19/1002892919.db2.gz LTUZFYSLAGDTGR-JTQLQIEISA-N -1 0 323.353 -0.451 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2C[C@H]3CC[C@@H]2O3)c(-c2nnn[n-]2)c1=O ZINC001592544952 1016688977 /nfs/dbraw/zinc/68/89/77/1016688977.db2.gz FOTLZMGYGHUNSQ-QYNIQEEDSA-N -1 0 305.298 -0.602 20 0 DBADRM C[C@@H](CC[S@@](C)=O)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001592538127 1016688993 /nfs/dbraw/zinc/68/89/93/1016688993.db2.gz QKTYTJGDGGTMCR-JLTPVHFHSA-N -1 0 314.363 -0.180 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H](C)CC(N)=O ZINC001592531041 1016689288 /nfs/dbraw/zinc/68/92/88/1016689288.db2.gz QPJHMNDXTKQEIW-DTWKUNHWSA-N -1 0 323.353 -0.585 20 0 DBADRM Cn1c(=O)[nH]c(Oc2cccnc2F)c(-c2nnn[n-]2)c1=O ZINC001592545413 1016689492 /nfs/dbraw/zinc/68/94/92/1016689492.db2.gz VQHFPRVPMTYZRN-UHFFFAOYSA-N -1 0 305.229 -0.420 20 0 DBADRM Cn1c(=O)[nH]c(N[C@@H]2CO[C@H](C3CC3)C2)c(-c2nnn[n-]2)c1=O ZINC001592546149 1016690344 /nfs/dbraw/zinc/69/03/44/1016690344.db2.gz KQEGRNXYSPWUCO-YUMQZZPRSA-N -1 0 319.325 -0.355 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)c1cn(C)nn1 ZINC001592531178 1016690524 /nfs/dbraw/zinc/69/05/24/1016690524.db2.gz UMSYDSVWBLIVNJ-MRVPVSSYSA-N -1 0 319.325 -0.654 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C)C(=O)c1cnc([O-])n(C)c1=O ZINC001415640884 1002922323 /nfs/dbraw/zinc/92/23/23/1002922323.db2.gz DZZFYNIDMFBCCO-NXEZZACHSA-N -1 0 322.365 -0.280 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2C[C@H]2C2CC2)n(C)c1=O ZINC001592556826 1016696716 /nfs/dbraw/zinc/69/67/16/1016696716.db2.gz OCFQTCIPGJSGMD-JGVFFNPUSA-N -1 0 303.326 -0.526 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n([C@H]2CCC(C)(C)C2=O)c1=O ZINC001592558000 1016696909 /nfs/dbraw/zinc/69/69/09/1016696909.db2.gz JODWZJHGXXLZSB-QMMMGPOBSA-N -1 0 304.310 -0.343 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@]23C[C@H]2CCC3)n(C)c1=O ZINC001592556642 1016697169 /nfs/dbraw/zinc/69/71/69/1016697169.db2.gz HORVEGCXDBYUNV-FUXBKTLASA-N -1 0 303.326 -0.381 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2CCC[C@@H](F)C2)n(C)c1=O ZINC001592556033 1016697199 /nfs/dbraw/zinc/69/71/99/1016697199.db2.gz YCMAZAXFIQQBBV-HTQZYQBOSA-N -1 0 323.332 -0.043 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC2CC(C)(C)C2)n(C)c1=O ZINC001592554827 1016697820 /nfs/dbraw/zinc/69/78/20/1016697820.db2.gz AQVFEWIRVSHJIR-UHFFFAOYSA-N -1 0 305.342 -0.135 20 0 DBADRM C[S@](=O)CCNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001426939405 1002961857 /nfs/dbraw/zinc/96/18/57/1002961857.db2.gz GCXYRQWNIULZPP-FHZGZLOMSA-N -1 0 301.372 -0.222 20 0 DBADRM C[S@](=O)CCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001426939409 1002964316 /nfs/dbraw/zinc/96/43/16/1002964316.db2.gz GCXYRQWNIULZPP-SQFXPLBJSA-N -1 0 301.372 -0.222 20 0 DBADRM CCN(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)c1n[nH]c(C)c1[O-] ZINC001415712570 1002979113 /nfs/dbraw/zinc/97/91/13/1002979113.db2.gz XAWDXERTTMCVDW-URLYPYJESA-N -1 0 322.365 -0.106 20 0 DBADRM Cn1cc([C@H](O)C(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)cn1 ZINC001592566922 1016704574 /nfs/dbraw/zinc/70/45/74/1016704574.db2.gz BBLJKHUAOJJXEI-NSHDSACASA-N -1 0 315.293 -0.256 20 0 DBADRM CCC(=O)N[C@H](C)C1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001427006047 1002990725 /nfs/dbraw/zinc/99/07/25/1002990725.db2.gz BUQZYNDNRFSENT-MRVPVSSYSA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001592568153 1016705601 /nfs/dbraw/zinc/70/56/01/1016705601.db2.gz LIAOVYPLOQUDAD-APPZFPTMSA-N -1 0 322.325 -0.885 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)c2nccs2)c1=O ZINC001592558037 1016696241 /nfs/dbraw/zinc/69/62/41/1016696241.db2.gz LLUSDUPXUIQDNM-UHFFFAOYSA-N -1 0 319.306 -0.934 20 0 DBADRM C[C@@H](CN(C)C(=O)CCNC(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592568300 1016708132 /nfs/dbraw/zinc/70/81/32/1016708132.db2.gz ORTAEBYOOZYIBL-QMMMGPOBSA-N -1 0 324.341 -0.508 20 0 DBADRM C[C@@H](CN(C)C(=O)c1ccn(C)n1)Nc1ccnc(C(=O)[O-])n1 ZINC001592579920 1016708944 /nfs/dbraw/zinc/70/89/44/1016708944.db2.gz QNNIWBRQARZWQZ-VIFPVBQESA-N -1 0 318.337 -0.097 20 0 DBADRM Cc1cnn(CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1 ZINC001415816094 1003019236 /nfs/dbraw/zinc/01/92/36/1003019236.db2.gz YEVQIPIMRFHONK-UHFFFAOYSA-N -1 0 305.342 -0.640 20 0 DBADRM Cc1nn(C)cc1CN(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001437479211 1003023028 /nfs/dbraw/zinc/02/30/28/1003023028.db2.gz BRJUFWZILVSOND-UHFFFAOYSA-N -1 0 321.341 -0.813 20 0 DBADRM Cn1cnc2c1ncnc2NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592588338 1016712137 /nfs/dbraw/zinc/71/21/37/1016712137.db2.gz AFMUDVTVGDOAED-UHFFFAOYSA-N -1 0 312.301 -0.753 20 0 DBADRM C[C@H](CN(C)C(=O)c1cn(C)cn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592578695 1016712421 /nfs/dbraw/zinc/71/24/21/1016712421.db2.gz AXHDGIWSKQPODD-SECBINFHSA-N -1 0 318.337 -0.097 20 0 DBADRM Cn1cnnc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592591003 1016713343 /nfs/dbraw/zinc/71/33/43/1016713343.db2.gz MLMOWVJHCFXTKW-UHFFFAOYSA-N -1 0 310.299 -0.933 20 0 DBADRM C[C@@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)Cn1cncn1 ZINC001592593457 1016713773 /nfs/dbraw/zinc/71/37/73/1016713773.db2.gz IBSPRJVHLSWGBY-VIFPVBQESA-N -1 0 319.325 -0.593 20 0 DBADRM C[C@@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)c1ncn(C)n1 ZINC001592593917 1016714514 /nfs/dbraw/zinc/71/45/14/1016714514.db2.gz NORAYFGTQKVOHI-QMMMGPOBSA-N -1 0 319.325 -0.442 20 0 DBADRM CCCC(=O)NC1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001415966323 1003055050 /nfs/dbraw/zinc/05/50/50/1003055050.db2.gz DWDGHWVJDDVLMX-UHFFFAOYSA-N -1 0 309.326 -0.658 20 0 DBADRM C[C@@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)c1cn(C)nn1 ZINC001592593395 1016716464 /nfs/dbraw/zinc/71/64/64/1016716464.db2.gz FFDQNGNWTMVBHM-QMMMGPOBSA-N -1 0 319.325 -0.442 20 0 DBADRM Cc1ncccc1CN(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001437546963 1003062924 /nfs/dbraw/zinc/06/29/24/1003062924.db2.gz MIMLXPFUWHWCGE-UHFFFAOYSA-N -1 0 320.353 -0.359 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])[C@@H](C)C(=O)N(C)C ZINC001437589878 1003079108 /nfs/dbraw/zinc/07/91/08/1003079108.db2.gz RLAMOLPLZMECOJ-JTQLQIEISA-N -1 0 311.386 -0.048 20 0 DBADRM Cn1nccc1CNS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001592607439 1016721330 /nfs/dbraw/zinc/72/13/30/1016721330.db2.gz CYFYVKIDJRJXKX-UHFFFAOYSA-N -1 0 320.338 -0.526 20 0 DBADRM CN(CCNC(=O)C1CCC1)C(=O)c1cnc([O-])n(C)c1=O ZINC001495796959 1016724466 /nfs/dbraw/zinc/72/44/66/1016724466.db2.gz DVOHKPMFJWFWGZ-UHFFFAOYSA-N -1 0 308.338 -0.526 20 0 DBADRM C[C@H](CN1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)CS(C)(=O)=O ZINC001592610153 1016724587 /nfs/dbraw/zinc/72/45/87/1016724587.db2.gz DOWHUQYNVCNVOY-NXEZZACHSA-N -1 0 316.383 -0.096 20 0 DBADRM Cn1nncc1CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001592611220 1016725248 /nfs/dbraw/zinc/72/52/48/1016725248.db2.gz GGQBEXOECRLJJK-UHFFFAOYSA-N -1 0 300.282 -0.369 20 0 DBADRM C[C@H](CN1CCCC1=O)NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001592617266 1016729836 /nfs/dbraw/zinc/72/98/36/1016729836.db2.gz OUEUGQDCQYHLEK-MXWKQRLJSA-N -1 0 313.354 -0.119 20 0 DBADRM C[C@H](CN1CCOCC1)N(C)S(=O)(=O)CCCC(=O)[O-] ZINC001592624478 1016730171 /nfs/dbraw/zinc/73/01/71/1016730171.db2.gz PFPSNSALWFINMC-LLVKDONJSA-N -1 0 308.400 -0.167 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001495828517 1016740623 /nfs/dbraw/zinc/74/06/23/1016740623.db2.gz LBGAQOHJYXENHM-RKDXNWHRSA-N -1 0 323.353 -0.554 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)CC(F)(F)F ZINC001592624679 1016731358 /nfs/dbraw/zinc/73/13/58/1016731358.db2.gz KWCICRXETOTAMF-ZCFIWIBFSA-N -1 0 312.244 -0.651 20 0 DBADRM C[C@@H](CN1CCOCC1)N(C)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001592623240 1016731445 /nfs/dbraw/zinc/73/14/45/1016731445.db2.gz FIWKRURBCRVRHZ-NSHDSACASA-N -1 0 310.354 -0.240 20 0 DBADRM C[C@@H](CN1CCOCC1)C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001592623340 1016731566 /nfs/dbraw/zinc/73/15/66/1016731566.db2.gz HBHQLYPDNQSOTM-SWLSCSKDSA-N -1 0 324.381 -0.189 20 0 DBADRM C[C@@H](CN1CCOCC1)NS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001592624395 1016731772 /nfs/dbraw/zinc/73/17/72/1016731772.db2.gz IKGSMAGZHRHTNH-NSHDSACASA-N -1 0 320.411 -0.119 20 0 DBADRM C[C@H](CN1CCOCC1)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001592623438 1016732078 /nfs/dbraw/zinc/73/20/78/1016732078.db2.gz INFQTIUDJRDWFV-VXGBXAGGSA-N -1 0 320.411 -0.719 20 0 DBADRM C[C@@H](CN1CCOCC1)NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001592625742 1016732383 /nfs/dbraw/zinc/73/23/83/1016732383.db2.gz VECDUXOEICMLOG-JTQLQIEISA-N -1 0 306.384 -0.509 20 0 DBADRM C[C@@H](CNC(=O)CCn1ccnn1)Nc1ncc(C(=O)[O-])cn1 ZINC001592650426 1016733196 /nfs/dbraw/zinc/73/31/96/1016733196.db2.gz FKTGUGLPTITTEA-VIFPVBQESA-N -1 0 319.325 -0.227 20 0 DBADRM C[C@](CNC(=O)CN1CCNC(=O)C1)(C(=O)[O-])c1ccccc1 ZINC001592650563 1016733323 /nfs/dbraw/zinc/73/33/23/1016733323.db2.gz IEUAQNAKETYQFI-MRXNPFEDSA-N -1 0 319.361 -0.423 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)C(=O)[O-] ZINC001592636460 1016733812 /nfs/dbraw/zinc/73/38/12/1016733812.db2.gz WKXIASVXQWIMNW-QMMMGPOBSA-N -1 0 318.293 -0.562 20 0 DBADRM CCCN(CCNC(=O)Cn1cccn1)Cc1n[nH]c(=O)[n-]1 ZINC001437743745 1003190702 /nfs/dbraw/zinc/19/07/02/1003190702.db2.gz YCNNFBTXXSLIAX-UHFFFAOYSA-N -1 0 307.358 -0.265 20 0 DBADRM C[C@@H](CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1nncn1C ZINC001592650954 1016734138 /nfs/dbraw/zinc/73/41/38/1016734138.db2.gz NGURBHACDIBGMM-UWVGGRQHSA-N -1 0 323.353 -0.642 20 0 DBADRM C[C@@H](CNC(=O)CCn1ccnc1)Nc1ccnc(C(=O)[O-])n1 ZINC001592650529 1016735011 /nfs/dbraw/zinc/73/50/11/1016735011.db2.gz HJQKZEOYRGDQEA-JTQLQIEISA-N -1 0 318.337 -0.200 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)CNc1ncc(C(=O)[O-])cn1 ZINC001592647246 1016735147 /nfs/dbraw/zinc/73/51/47/1016735147.db2.gz CCNRNVGNNJXIGG-IONNQARKSA-N -1 0 322.325 -0.980 20 0 DBADRM C[C@@H](CNC(=O)Cc1nc[nH]n1)Nc1ncc(C(=O)[O-])cn1 ZINC001592654870 1016735624 /nfs/dbraw/zinc/73/56/24/1016735624.db2.gz MJBMNBDZRFGNQX-ZETCQYMHSA-N -1 0 305.298 -0.548 20 0 DBADRM CCCN(CCNC(=O)[C@@]1(F)CCOC1)Cc1n[nH]c(=O)[n-]1 ZINC001437761147 1003205276 /nfs/dbraw/zinc/20/52/76/1003205276.db2.gz FRDOXUUYPXPDMA-CYBMUJFWSA-N -1 0 315.349 -0.033 20 0 DBADRM C[C@@H](CNC(=O)CCc1nnc[nH]1)Nc1ccnc(C(=O)[O-])n1 ZINC001592651084 1016736555 /nfs/dbraw/zinc/73/65/55/1016736555.db2.gz UOKYSDCHUXLHSC-QMMMGPOBSA-N -1 0 319.325 -0.736 20 0 DBADRM C[C@H](CNC(=O)CCNC(N)=O)N(C)c1ncc(C(=O)[O-])cn1 ZINC001592651427 1016736584 /nfs/dbraw/zinc/73/65/84/1016736584.db2.gz XQJDCWOYZYTIID-MRVPVSSYSA-N -1 0 324.341 -0.826 20 0 DBADRM C[C@H](CNC(=O)Cc1c[nH]cn1)CNc1ccnc(C(=O)[O-])n1 ZINC001592654596 1016736647 /nfs/dbraw/zinc/73/66/47/1016736647.db2.gz KSDNVRIMXDZOIA-VIFPVBQESA-N -1 0 318.337 -0.273 20 0 DBADRM C[C@H](CNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C)C(=O)[O-] ZINC001592660118 1016736714 /nfs/dbraw/zinc/73/67/14/1016736714.db2.gz MGVXDHVABZSOQJ-ZJUUUORDSA-N -1 0 301.343 -0.103 20 0 DBADRM Cc1c(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)cnn1C ZINC001437777082 1003208939 /nfs/dbraw/zinc/20/89/39/1003208939.db2.gz XBKIGILOLDMPHD-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@H](CNC(=O)CO[C@@H]1CCOC1)Nc1ncc(C(=O)[O-])cn1 ZINC001592653518 1016736773 /nfs/dbraw/zinc/73/67/73/1016736773.db2.gz GNUUHPOTQLUROR-MWLCHTKSSA-N -1 0 324.337 -0.103 20 0 DBADRM C[C@@H](CNC(=O)Cn1ccnc1)Nc1ncc(C(=O)[O-])cn1 ZINC001592655580 1016737832 /nfs/dbraw/zinc/73/78/32/1016737832.db2.gz TUDRUTRYQYWPMI-VIFPVBQESA-N -1 0 304.310 -0.012 20 0 DBADRM C[C@H](CNC(=O)c1ccc(=O)[nH]n1)Nc1ccnc(C(=O)[O-])n1 ZINC001592696499 1016744922 /nfs/dbraw/zinc/74/49/22/1016744922.db2.gz AQNRCVPBQMLOQT-SSDOTTSWSA-N -1 0 318.293 -0.677 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)[C@@H]1CCC(=O)N1 ZINC001416203798 1003246192 /nfs/dbraw/zinc/24/61/92/1003246192.db2.gz QTNZUNBVQQGKJD-IUCAKERBSA-N -1 0 323.353 -0.673 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)c1cn(C)nn1 ZINC001416200550 1003247562 /nfs/dbraw/zinc/24/75/62/1003247562.db2.gz HZPJQZHZFOKSFS-QMMMGPOBSA-N -1 0 321.341 -0.509 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)[C@@H]1CCC(=O)N1 ZINC001416203797 1003249466 /nfs/dbraw/zinc/24/94/66/1003249466.db2.gz QTNZUNBVQQGKJD-BDAKNGLRSA-N -1 0 323.353 -0.673 20 0 DBADRM C[C@H](CNC(=O)c1ccnnc1)Nc1ccnc(C(=O)[O-])n1 ZINC001592701339 1016750302 /nfs/dbraw/zinc/75/03/02/1016750302.db2.gz MGYZJGPFNYKYFX-MRVPVSSYSA-N -1 0 302.294 -0.383 20 0 DBADRM CCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(CCF)C1 ZINC001437899587 1003278274 /nfs/dbraw/zinc/27/82/74/1003278274.db2.gz AXWKHJJHWCWVQV-SNVBAGLBSA-N -1 0 315.349 -0.028 20 0 DBADRM CCCN(C(=O)c1cn[nH]n1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001437893460 1003280287 /nfs/dbraw/zinc/28/02/87/1003280287.db2.gz PNWGRILZRHAZOT-SECBINFHSA-N -1 0 320.357 -0.245 20 0 DBADRM CC(C)[C@@H](F)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001495862388 1016759853 /nfs/dbraw/zinc/75/98/53/1016759853.db2.gz WRWILGAMEBADIM-MWLCHTKSSA-N -1 0 315.349 -0.179 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NC(C)C)c1[O-] ZINC001438166270 1003363842 /nfs/dbraw/zinc/36/38/42/1003363842.db2.gz BDJGATRSMWOJPF-QWRGUYRKSA-N -1 0 321.381 -0.153 20 0 DBADRM Cc1nonc1C(=O)N(C)CCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001416653842 1003373462 /nfs/dbraw/zinc/37/34/62/1003373462.db2.gz LTIHVPQVMLSANJ-UHFFFAOYSA-N -1 0 322.325 -0.041 20 0 DBADRM CC(=O)NCC(=O)NC[C@@H](NC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001427862433 1003411634 /nfs/dbraw/zinc/41/16/34/1003411634.db2.gz XDXXGINJYFMXAM-SNVBAGLBSA-N -1 0 323.353 -0.816 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001416750155 1003461023 /nfs/dbraw/zinc/46/10/23/1003461023.db2.gz PMTQFTVCFJGBMA-SFYZADRCSA-N -1 0 302.306 -0.621 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1ncn(C)n1 ZINC001592730605 1016776986 /nfs/dbraw/zinc/77/69/86/1016776986.db2.gz WMKPSNYCTSMFND-QMMMGPOBSA-N -1 0 319.325 -0.702 20 0 DBADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001592730475 1016777823 /nfs/dbraw/zinc/77/78/23/1016777823.db2.gz WIKLHIPKQANRDT-PSASIEDQSA-N -1 0 321.337 -0.288 20 0 DBADRM CC(CO)(CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001592733880 1016778977 /nfs/dbraw/zinc/77/89/77/1016778977.db2.gz JRPCXSXWWBOQNS-UHFFFAOYSA-N -1 0 314.269 -0.678 20 0 DBADRM C[C@](CO)(NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-] ZINC001592733858 1016781017 /nfs/dbraw/zinc/78/10/17/1016781017.db2.gz JAHIQAGQGLZMGL-LKFCYVNXSA-N -1 0 310.306 -0.420 20 0 DBADRM C[C@@](CO)(NC(=O)C[C@H](NC(N)=O)c1cccs1)C(=O)[O-] ZINC001592742506 1016784002 /nfs/dbraw/zinc/78/40/02/1016784002.db2.gz PBHZKYFFCWJTCL-MADCSZMMSA-N -1 0 315.351 -0.201 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)c1cocn1 ZINC001416797488 1003530273 /nfs/dbraw/zinc/53/02/73/1003530273.db2.gz TXIHZBYDRVZIMD-SSDOTTSWSA-N -1 0 321.293 -0.978 20 0 DBADRM C[C@@](CO)(NC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)[O-] ZINC001592742561 1016784741 /nfs/dbraw/zinc/78/47/41/1016784741.db2.gz PNDHDVDNYNMITM-YGRLFVJLSA-N -1 0 308.290 -0.272 20 0 DBADRM C[C@@](CO)(NC(=O)Cn1cc(-c2ccccc2)nn1)C(=O)[O-] ZINC001592739689 1016784758 /nfs/dbraw/zinc/78/47/58/1016784758.db2.gz PYHMYQODECZVAG-AWEZNQCLSA-N -1 0 304.306 -0.103 20 0 DBADRM C[C@@](CO)(NC(=O)Cc1csc(-c2nc[nH]n2)n1)C(=O)[O-] ZINC001592738350 1016785006 /nfs/dbraw/zinc/78/50/06/1016785006.db2.gz BIOPDLZXDKXTDW-NSHDSACASA-N -1 0 311.323 -0.578 20 0 DBADRM CCn1ncc(C(=O)NC[C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001416801305 1003537187 /nfs/dbraw/zinc/53/71/87/1003537187.db2.gz KGQFSEVPMTUNOV-SSDOTTSWSA-N -1 0 321.341 -0.417 20 0 DBADRM C[C@](CO)(NC(=O)CNC(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC001592741916 1016786068 /nfs/dbraw/zinc/78/60/68/1016786068.db2.gz LQJGVJZMUIGBEY-CYBMUJFWSA-N -1 0 316.260 -0.354 20 0 DBADRM C[C@@](CO)(NC(=O)C[C@H](NC(N)=O)c1ccccc1)C(=O)[O-] ZINC001592744083 1016787481 /nfs/dbraw/zinc/78/74/81/1016787481.db2.gz YIFXESALBJHXMJ-HZMBPMFUSA-N -1 0 309.322 -0.262 20 0 DBADRM C[C@@](CO)(NCC(=O)NC(=O)NCc1cccs1)C(=O)[O-] ZINC001592751286 1016790814 /nfs/dbraw/zinc/79/08/14/1016790814.db2.gz YYAXYGJAHWCJJM-LBPRGKRZSA-N -1 0 315.351 -0.501 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])C1CC1 ZINC001592799446 1016804434 /nfs/dbraw/zinc/80/44/34/1016804434.db2.gz CFQGNLVOSLSYKD-WPRPVWTQSA-N -1 0 304.368 -0.363 20 0 DBADRM Nc1cc(F)ccc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592759509 1016797088 /nfs/dbraw/zinc/79/70/88/1016797088.db2.gz CZOFFQMLAJAZOI-UHFFFAOYSA-N -1 0 317.288 -0.391 20 0 DBADRM C[C@H](CO)CCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001592757228 1016797214 /nfs/dbraw/zinc/79/72/14/1016797214.db2.gz IVGICGVKDJTJED-GARJFASQSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@@H](CO)C1CCN(C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001592755265 1016798253 /nfs/dbraw/zinc/79/82/53/1016798253.db2.gz CLNHPOYTBYJQEU-MVWJERBFSA-N -1 0 312.366 -0.310 20 0 DBADRM C[C@@H](CO)CCCNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001592758568 1016798275 /nfs/dbraw/zinc/79/82/75/1016798275.db2.gz SHNAVRXDJBQLLK-MNOVXSKESA-N -1 0 316.354 -0.787 20 0 DBADRM C[C@@H](CS(=O)(=O)Cc1nnn(CC(F)(F)F)n1)C(=O)[O-] ZINC001592787551 1016800603 /nfs/dbraw/zinc/80/06/03/1016800603.db2.gz DOOIMXWLTDXNKU-YFKPBYRVSA-N -1 0 316.261 -0.129 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@]2(C)CNC(=O)C2)c1[O-] ZINC001495955065 1016801060 /nfs/dbraw/zinc/80/10/60/1016801060.db2.gz CNCPSMWQNLWWMG-AWEZNQCLSA-N -1 0 323.353 -0.862 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2cn(C)cn2)c1[O-] ZINC001495955417 1016801229 /nfs/dbraw/zinc/80/12/29/1016801229.db2.gz GMXSFJAXNNRTQF-UHFFFAOYSA-N -1 0 306.326 -0.341 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[C@@H](N2CCOCC2)C1)C(=O)[O-] ZINC001592798926 1016802010 /nfs/dbraw/zinc/80/20/10/1016802010.db2.gz RUIMMJXLCMYCMN-NWDGAFQWSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCCS(=O)(=O)C[C@@H]1C)C(=O)[O-] ZINC001592798883 1016802593 /nfs/dbraw/zinc/80/25/93/1016802593.db2.gz QZLPRIMASJHVGL-BDAKNGLRSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-])C1CC1 ZINC001592789305 1016802938 /nfs/dbraw/zinc/80/29/38/1016802938.db2.gz DSPFGHXWOQHPJG-SCZZXKLOSA-N -1 0 304.368 -0.411 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC(C2CS(=O)(=O)C2)C1)C(=O)[O-] ZINC001592789664 1016802966 /nfs/dbraw/zinc/80/29/66/1016802966.db2.gz LQTKIEANISCXPT-SSDOTTSWSA-N -1 0 311.381 -0.987 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC2(CNC(=O)N2C)CC1)C(=O)[O-] ZINC001592797765 1016803093 /nfs/dbraw/zinc/80/30/93/1016803093.db2.gz HFMVGSUTOABXMR-SECBINFHSA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC[C@H](N2CCCC2=O)C1)C(=O)[O-] ZINC001592798057 1016803138 /nfs/dbraw/zinc/80/31/38/1016803138.db2.gz JVEUVMILSABGMW-UWVGGRQHSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCO[C@]2(CCCOC2)C1)C(=O)[O-] ZINC001592799495 1016804148 /nfs/dbraw/zinc/80/41/48/1016804148.db2.gz DNCILOXRTZBSNR-CMPLNLGQSA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C(=O)NCC(F)(F)F ZINC001592800536 1016804865 /nfs/dbraw/zinc/80/48/65/1016804865.db2.gz OOOOMOABGDFJEV-PHDIDXHHSA-N -1 0 320.289 -0.307 20 0 DBADRM O=C(CC1CC1)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001592811578 1016805485 /nfs/dbraw/zinc/80/54/85/1016805485.db2.gz RYVSBVMQAOEPBB-SNVBAGLBSA-N -1 0 314.353 -0.109 20 0 DBADRM C[C@H](CS(=O)(=O)NCC1(N2CCOCC2)CC1)C(=O)[O-] ZINC001592809409 1016805498 /nfs/dbraw/zinc/80/54/98/1016805498.db2.gz QQSIIHMLNABSNE-SNVBAGLBSA-N -1 0 306.384 -0.509 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](Cn1ccnc1)C(=O)[O-] ZINC001592813511 1016805605 /nfs/dbraw/zinc/80/56/05/1016805605.db2.gz ASQHVAIZTYYHEG-IUCAKERBSA-N -1 0 303.340 -0.867 20 0 DBADRM O=C(C[C@H]1C=CCC1)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001592810613 1016806246 /nfs/dbraw/zinc/80/62/46/1016806246.db2.gz UMVXCOMKPLJDPU-JTQLQIEISA-N -1 0 314.353 -0.037 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001592813507 1016806666 /nfs/dbraw/zinc/80/66/66/1016806666.db2.gz ARDBYUJXABSQIZ-QPUJVOFHSA-N -1 0 318.351 -0.501 20 0 DBADRM O=C(CCc1ccc(-c2nn[nH]n2)cc1)NCc1nc(=O)o[n-]1 ZINC001592851558 1016808074 /nfs/dbraw/zinc/80/80/74/1016808074.db2.gz FERZKSSTQYMZHI-UHFFFAOYSA-N -1 0 315.293 -0.208 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001592816355 1016808150 /nfs/dbraw/zinc/80/81/50/1016808150.db2.gz RMJSRCKHRZCLPT-HLTSFMKQSA-N -1 0 308.356 -0.697 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592857606 1016808272 /nfs/dbraw/zinc/80/82/72/1016808272.db2.gz LNDHSYZJZYXQFM-UHFFFAOYSA-N -1 0 311.309 -0.098 20 0 DBADRM C[C@@H](C[S@](C)=O)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001592823089 1016808598 /nfs/dbraw/zinc/80/85/98/1016808598.db2.gz XIKYDYJDEIODOL-VIIUKITBSA-N -1 0 306.365 -0.175 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001592930360 1016816714 /nfs/dbraw/zinc/81/67/14/1016816714.db2.gz ADJNHYSZVDEZNU-TVQRCGJNSA-N -1 0 309.326 -0.894 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)nc1)[N-]S(=O)(=O)C1CCC1 ZINC001592915655 1016814055 /nfs/dbraw/zinc/81/40/55/1016814055.db2.gz OXKQDARFESEPLC-UHFFFAOYSA-N -1 0 322.350 -0.197 20 0 DBADRM O=C(COc1cccnc1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592898891 1016815860 /nfs/dbraw/zinc/81/58/60/1016815860.db2.gz CKIVXQVMNWDQLO-UHFFFAOYSA-N -1 0 315.297 -0.952 20 0 DBADRM CC(C)(F)C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001416981942 1003719329 /nfs/dbraw/zinc/71/93/29/1003719329.db2.gz AZOZGRWVJFACLM-ZETCQYMHSA-N -1 0 315.305 -0.846 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1Cc2ccccc2CO1 ZINC001592940256 1016821609 /nfs/dbraw/zinc/82/16/09/1016821609.db2.gz VPRFUMMRVXNUFX-UHFFFAOYSA-N -1 0 312.293 -0.068 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001416989354 1003729513 /nfs/dbraw/zinc/72/95/13/1003729513.db2.gz TUJGKLFFMVDBIE-WPRPVWTQSA-N -1 0 323.353 -0.721 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCC[C@H]1CCO ZINC001592940009 1016821939 /nfs/dbraw/zinc/82/19/39/1016821939.db2.gz OUSHEBPEXIHGIN-DTWKUNHWSA-N -1 0 306.330 -0.875 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC2(CCO2)CC1 ZINC001592940596 1016822588 /nfs/dbraw/zinc/82/25/88/1016822588.db2.gz PGJVTQNAFPPGNP-UHFFFAOYSA-N -1 0 304.314 -0.760 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001592930362 1016817829 /nfs/dbraw/zinc/81/78/29/1016817829.db2.gz ADJNHYSZVDEZNU-ZANVPECISA-N -1 0 309.326 -0.894 20 0 DBADRM C[C@@H](Cn1ccnc1)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001592931361 1016818534 /nfs/dbraw/zinc/81/85/34/1016818534.db2.gz VOVVVQYGIPYJPK-JTQLQIEISA-N -1 0 311.342 -0.448 20 0 DBADRM O=C(Cn1cccc(-c2nnn[n-]2)c1=O)N[C@H]1CCSC1=O ZINC001592937549 1016819381 /nfs/dbraw/zinc/81/93/81/1016819381.db2.gz CHZSAZHGLZXNFN-QMMMGPOBSA-N -1 0 320.334 -0.823 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NCC1CC=CC1 ZINC001592935299 1016819423 /nfs/dbraw/zinc/81/94/23/1016819423.db2.gz CJDQPNMVASXEBP-UHFFFAOYSA-N -1 0 317.309 -0.789 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCC[C@@H]1CCO ZINC001592940007 1016819697 /nfs/dbraw/zinc/81/96/97/1016819697.db2.gz OUSHEBPEXIHGIN-BDAKNGLRSA-N -1 0 306.330 -0.875 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CCC[C@@H](F)C1 ZINC001592934222 1016819814 /nfs/dbraw/zinc/81/98/14/1016819814.db2.gz IEXHTYUMZVYABJ-SSDOTTSWSA-N -1 0 323.288 -0.911 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)ccc1=O)NCC(F)(F)F ZINC001592936606 1016819910 /nfs/dbraw/zinc/81/99/10/1016819910.db2.gz RQQXYZSZTOXNRO-UHFFFAOYSA-N -1 0 302.216 -0.293 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001592939436 1016820090 /nfs/dbraw/zinc/82/00/90/1016820090.db2.gz BLDXOKGXAYONIF-BDAKNGLRSA-N -1 0 304.314 -0.904 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)cc1=O)NCC(F)(F)F ZINC001592940790 1016820531 /nfs/dbraw/zinc/82/05/31/1016820531.db2.gz ZRXFLPMHKAIZLL-UHFFFAOYSA-N -1 0 303.204 -0.898 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCO[C@@H]1C(F)(F)F ZINC001592940306 1016820861 /nfs/dbraw/zinc/82/08/61/1016820861.db2.gz YLHOWMAAJZTKDY-MRVPVSSYSA-N -1 0 318.219 -0.795 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)c1cccnc1 ZINC001592970908 1016828125 /nfs/dbraw/zinc/82/81/25/1016828125.db2.gz MQYPFAPBOLPCIC-ZMLRMANQSA-N -1 0 321.333 -0.447 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1cccnc1 ZINC001592970018 1016828137 /nfs/dbraw/zinc/82/81/37/1016828137.db2.gz BJSMOPLTIDFRGZ-GXSJLCMTSA-N -1 0 307.306 -0.429 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1cccnc1 ZINC001592970020 1016828246 /nfs/dbraw/zinc/82/82/46/1016828246.db2.gz BJSMOPLTIDFRGZ-MWLCHTKSSA-N -1 0 307.306 -0.429 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)c1cccnc1 ZINC001592979025 1016828293 /nfs/dbraw/zinc/82/82/93/1016828293.db2.gz GRWLBIDCFPEXDA-UMNHJUIQSA-N -1 0 321.333 -0.041 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3ccn(C)n3)CC2)c1[O-] ZINC001417123666 1003825827 /nfs/dbraw/zinc/82/58/27/1003825827.db2.gz DGPVJOGLVZDHKO-UHFFFAOYSA-N -1 0 318.337 -0.150 20 0 DBADRM CCC(=O)N1CCC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001428383967 1003827624 /nfs/dbraw/zinc/82/76/24/1003827624.db2.gz YWWGUWIYIGSJMS-SECBINFHSA-N -1 0 311.342 -0.546 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cccc(F)c1O ZINC001592941819 1016823728 /nfs/dbraw/zinc/82/37/28/1016823728.db2.gz LRECGHRTQAOKBQ-UHFFFAOYSA-N -1 0 304.245 -0.058 20 0 DBADRM O=C(Cn1ncc2cccnc21)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001592942805 1016824034 /nfs/dbraw/zinc/82/40/34/1016824034.db2.gz ZAQMNPXPPMTZKI-UHFFFAOYSA-N -1 0 310.281 -0.027 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(NC(=O)C2CCC2)CC1 ZINC001417180065 1003838529 /nfs/dbraw/zinc/83/85/29/1003838529.db2.gz OQUCJBHYYWBQPT-UHFFFAOYSA-N -1 0 309.326 -0.746 20 0 DBADRM C[C@@H](NC(=O)C(N)=O)[C@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001592993962 1016828783 /nfs/dbraw/zinc/82/87/83/1016828783.db2.gz LJAMHUIPEKTLCW-BDAKNGLRSA-N -1 0 321.337 -0.619 20 0 DBADRM C[C@@H](CNC(=O)C(C)(F)F)NC(=O)c1cnc([O-])n(C)c1=O ZINC001428486005 1003845512 /nfs/dbraw/zinc/84/55/12/1003845512.db2.gz VQIKPUGMRQTKMB-LURJTMIESA-N -1 0 318.280 -0.624 20 0 DBADRM O=C(N[C@@H]1C[C@@H](O)[C@@H](O)C1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001593005682 1016832514 /nfs/dbraw/zinc/83/25/14/1016832514.db2.gz XWSKOZDKFRQKLS-IJRMOIDVSA-N -1 0 305.294 -0.814 20 0 DBADRM C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001593011097 1016832699 /nfs/dbraw/zinc/83/26/99/1016832699.db2.gz NILYCYHPPKSBNR-XPTSAGLGSA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCn1cccn1 ZINC001439298126 1003896859 /nfs/dbraw/zinc/89/68/59/1003896859.db2.gz KZLOTMLCHZCJHF-SNVBAGLBSA-N -1 0 307.358 -0.266 20 0 DBADRM CCNC(=O)c1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001417611191 1003898209 /nfs/dbraw/zinc/89/82/09/1003898209.db2.gz QRVZPTMMFRXOHA-UHFFFAOYSA-N -1 0 319.321 -0.245 20 0 DBADRM C[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1nccc(N)n1 ZINC001593025499 1016833298 /nfs/dbraw/zinc/83/32/98/1016833298.db2.gz BSXWHFWXSLODEL-IUCAKERBSA-N -1 0 321.337 -0.441 20 0 DBADRM CCn1nccc1C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001439316149 1003899423 /nfs/dbraw/zinc/89/94/23/1003899423.db2.gz KDMXKAMUBHHJGJ-SECBINFHSA-N -1 0 307.358 -0.023 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC001417613699 1003899564 /nfs/dbraw/zinc/89/95/64/1003899564.db2.gz JMYRWEZYHSHLBA-VIFPVBQESA-N -1 0 308.298 -0.297 20 0 DBADRM C[C@H](NC(=O)Cn1nnc(N)n1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593050216 1016833426 /nfs/dbraw/zinc/83/34/26/1016833426.db2.gz LCTJZTCECIFQPG-GXSJLCMTSA-N -1 0 318.337 -0.297 20 0 DBADRM C[C@H](NC(=O)COC(=O)c1ccnc(C(=O)[O-])c1)C(=O)N(C)C ZINC001593030595 1016834460 /nfs/dbraw/zinc/83/44/60/1016834460.db2.gz LRENVHZMBIUHIR-QMMMGPOBSA-N -1 0 323.305 -0.471 20 0 DBADRM C[C@H]1CN(CCNC(=O)CCCn2c(=O)[n-][nH]c2=O)CCO1 ZINC001417629498 1003921302 /nfs/dbraw/zinc/92/13/02/1003921302.db2.gz MCUCPDQIPMVGGN-JTQLQIEISA-N -1 0 313.358 -0.694 20 0 DBADRM CCN1C[C@H](C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001439330577 1003921330 /nfs/dbraw/zinc/92/13/30/1003921330.db2.gz LWMQCAGIAIDDSR-NXEZZACHSA-N -1 0 324.385 -0.685 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CCN(CC(F)(F)F)CC1 ZINC001417637466 1003933256 /nfs/dbraw/zinc/93/32/56/1003933256.db2.gz XHPCVMSVZSUPOY-UHFFFAOYSA-N -1 0 323.275 -0.168 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(N2CCCC2=O)CC1 ZINC001417639594 1003933973 /nfs/dbraw/zinc/93/39/73/1003933973.db2.gz HIJCGEPRIPHUAF-UHFFFAOYSA-N -1 0 309.326 -0.697 20 0 DBADRM C[C@H](NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)C(=O)N(C)C ZINC001593055778 1016835535 /nfs/dbraw/zinc/83/55/35/1016835535.db2.gz SQNGLFLRLGSCSE-WPRPVWTQSA-N -1 0 301.343 -0.670 20 0 DBADRM C[C@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)c1nncn1C ZINC001593051089 1016836117 /nfs/dbraw/zinc/83/61/17/1016836117.db2.gz PWKYHVDEXYKUEB-QMMMGPOBSA-N -1 0 305.294 -0.448 20 0 DBADRM C[C@H](NC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1)C(=O)N(C)C ZINC001593064265 1016836186 /nfs/dbraw/zinc/83/61/86/1016836186.db2.gz RFOKBKIGUNSLJJ-IUCAKERBSA-N -1 0 324.341 -0.591 20 0 DBADRM C[C@H](NC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC001593054792 1016836218 /nfs/dbraw/zinc/83/62/18/1016836218.db2.gz ZOWOIAMJTGEJHT-IRCOFANPSA-N -1 0 315.370 -0.818 20 0 DBADRM O=C(NCCCNc1ccnc(-c2nnn[n-]2)n1)[C@@H]1CC1(F)F ZINC001593075835 1016836617 /nfs/dbraw/zinc/83/66/17/1016836617.db2.gz FDSMYJZAPUHUSW-ZETCQYMHSA-N -1 0 324.295 -0.348 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(N2CCCCC2=O)CC1 ZINC001417670051 1003955330 /nfs/dbraw/zinc/95/53/30/1003955330.db2.gz WZCIYXOWWZPVPE-UHFFFAOYSA-N -1 0 323.353 -0.307 20 0 DBADRM O=C(NCCCNc1ccnc(-c2nnn[n-]2)n1)[C@H]1CC1(F)F ZINC001593075832 1016836674 /nfs/dbraw/zinc/83/66/74/1016836674.db2.gz FDSMYJZAPUHUSW-SSDOTTSWSA-N -1 0 324.295 -0.348 20 0 DBADRM C[C@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1nnc2ccccn21 ZINC001593051968 1016836854 /nfs/dbraw/zinc/83/68/54/1016836854.db2.gz OEEORDKFYVSJAI-QMMMGPOBSA-N -1 0 305.294 -0.369 20 0 DBADRM C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)c1nnnn1C1CC1 ZINC001593072586 1016836908 /nfs/dbraw/zinc/83/69/08/1016836908.db2.gz SASLQZJIKCNBDY-MRTMQBJTSA-N -1 0 324.341 -0.048 20 0 DBADRM CCNC(=O)C(C)(C)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001417686657 1003969665 /nfs/dbraw/zinc/96/96/65/1003969665.db2.gz OVXHHJWSFYRMAR-UHFFFAOYSA-N -1 0 313.358 -0.252 20 0 DBADRM Cn1nccc1CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001417706828 1003988824 /nfs/dbraw/zinc/98/88/24/1003988824.db2.gz VEXGXEWSIDUAFH-UHFFFAOYSA-N -1 0 324.362 -0.254 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](O)CCc1ccccc1 ZINC001417711397 1003994086 /nfs/dbraw/zinc/99/40/86/1003994086.db2.gz GWDYKKJFZPBAOW-LLVKDONJSA-N -1 0 306.322 -0.201 20 0 DBADRM CC(=O)N[C@](C)(C(=O)NCCC(=O)[N-]S(C)(=O)=O)C(C)C ZINC001417713730 1003994908 /nfs/dbraw/zinc/99/49/08/1003994908.db2.gz ZYXXYDJWKVQCGB-LBPRGKRZSA-N -1 0 321.399 -0.881 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCc2c(=O)[nH]cnc2C1 ZINC001417712531 1003995463 /nfs/dbraw/zinc/99/54/63/1003995463.db2.gz JDYBRNGNVMJJPJ-UHFFFAOYSA-N -1 0 320.309 -0.450 20 0 DBADRM O=C(C1=CS(=O)(=O)CCC1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001417721923 1004004226 /nfs/dbraw/zinc/00/42/26/1004004226.db2.gz OPROCMIBQPJUGC-VIFPVBQESA-N -1 0 311.367 -0.002 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001417729968 1004009667 /nfs/dbraw/zinc/00/96/67/1004009667.db2.gz CYGHBVASOGAQTL-RITPCOANSA-N -1 0 322.243 -0.664 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001417729966 1004010450 /nfs/dbraw/zinc/01/04/50/1004010450.db2.gz CYGHBVASOGAQTL-PHDIDXHHSA-N -1 0 322.243 -0.664 20 0 DBADRM O=C(N[C@@H](CO)C1CCOCC1)c1c[n-]n2c1nccc2=O ZINC001417733676 1004011226 /nfs/dbraw/zinc/01/12/26/1004011226.db2.gz XDABOFSRJSEZJQ-NSHDSACASA-N -1 0 306.322 -0.460 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1CC12CCOCC2 ZINC001593109458 1016844181 /nfs/dbraw/zinc/84/41/81/1016844181.db2.gz KYJZEQROWCKBPZ-VIFPVBQESA-N -1 0 318.341 -0.609 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1c(O)cccc1O ZINC001593112976 1016845144 /nfs/dbraw/zinc/84/51/44/1016845144.db2.gz VMSKJQUGWHEZCP-UHFFFAOYSA-N -1 0 316.281 -0.701 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1c[nH]c2cccnc12 ZINC001593111455 1016845478 /nfs/dbraw/zinc/84/54/78/1016845478.db2.gz CSMRLLFKKATRSJ-UHFFFAOYSA-N -1 0 324.308 -0.236 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NCC1CSC1 ZINC001593111558 1016845498 /nfs/dbraw/zinc/84/54/98/1016845498.db2.gz OJTWYJPTSQWRNP-UHFFFAOYSA-N -1 0 309.359 -0.880 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccc(F)cn1 ZINC001593111458 1016845605 /nfs/dbraw/zinc/84/56/05/1016845605.db2.gz CVSLVRRRCIVVIU-UHFFFAOYSA-N -1 0 303.261 -0.578 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cc(C2CC2)no1 ZINC001593111417 1016845694 /nfs/dbraw/zinc/84/56/94/1016845694.db2.gz AXUGTFMCLUHWID-UHFFFAOYSA-N -1 0 315.297 -0.246 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001439526381 1004033107 /nfs/dbraw/zinc/03/31/07/1004033107.db2.gz OFHJHCSEBPNHDK-DTWKUNHWSA-N -1 0 306.330 -0.947 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CC=CCC1 ZINC001593111199 1016846409 /nfs/dbraw/zinc/84/64/09/1016846409.db2.gz LACVAUQNHAGIQA-SECBINFHSA-N -1 0 303.330 -0.134 20 0 DBADRM C[C@@H](NC(=O)c1cn[nH]n1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593146941 1016848054 /nfs/dbraw/zinc/84/80/54/1016848054.db2.gz VKAFUIBRWFDHPE-NKWVEPMBSA-N -1 0 305.298 -0.666 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001417801563 1004044532 /nfs/dbraw/zinc/04/45/32/1004044532.db2.gz NCUAJALLYJLWLR-MGCOHNPYSA-N -1 0 319.369 -0.231 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001439556830 1004046628 /nfs/dbraw/zinc/04/66/28/1004046628.db2.gz LRPYTKIGXDAMFS-ZJUUUORDSA-N -1 0 310.358 -0.885 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC001417814583 1004048855 /nfs/dbraw/zinc/04/88/55/1004048855.db2.gz FAPNTNDBDLUAFD-RQJHMYQMSA-N -1 0 324.259 -0.291 20 0 DBADRM Nc1nc2c(s1)C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC001417818057 1004051087 /nfs/dbraw/zinc/05/10/87/1004051087.db2.gz PFFDQARJIYMKBO-YFKPBYRVSA-N -1 0 310.339 -0.598 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)CCCC(N)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001417826343 1004054140 /nfs/dbraw/zinc/05/41/40/1004054140.db2.gz CAIPECBACQFJGW-VHSXEESVSA-N -1 0 324.385 -0.365 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H]1CCN1CC(N)=O ZINC001439577288 1004055518 /nfs/dbraw/zinc/05/55/18/1004055518.db2.gz BYYVTOJRIKMTSV-ZETCQYMHSA-N -1 0 324.303 -0.881 20 0 DBADRM Cc1[nH]nc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)c1C ZINC001439594267 1004059471 /nfs/dbraw/zinc/05/94/71/1004059471.db2.gz BDEMXJRUFDLHHA-UHFFFAOYSA-N -1 0 305.342 -0.098 20 0 DBADRM C[C@@H](NC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)C(F)F ZINC001593098402 1016842419 /nfs/dbraw/zinc/84/24/19/1016842419.db2.gz HPFXCCQBBZBRAO-GOZTUDAPSA-N -1 0 314.310 -0.173 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cccc(F)c1-c1nn[nH]n1 ZINC001593106834 1016842559 /nfs/dbraw/zinc/84/25/59/1016842559.db2.gz JIEHEVHSZQWYJB-UHFFFAOYSA-N -1 0 319.256 -0.345 20 0 DBADRM O=C(NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)[C@@H]1CC12CC2 ZINC001593107251 1016843407 /nfs/dbraw/zinc/84/34/07/1016843407.db2.gz YMEHHJIDNIASHH-QMMMGPOBSA-N -1 0 317.309 -0.955 20 0 DBADRM CCOC(=O)N1CSC[C@@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC001417884592 1004087938 /nfs/dbraw/zinc/08/79/38/1004087938.db2.gz ZBRZVQBYGPPWTM-RXMQYKEDSA-N -1 0 303.300 -0.709 20 0 DBADRM C[C@@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593139186 1016848585 /nfs/dbraw/zinc/84/85/85/1016848585.db2.gz UTTWKHLJTNDVCF-KUNJHIDRSA-N -1 0 320.349 -0.206 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(=O)NCC(F)(F)F ZINC001593141051 1016848721 /nfs/dbraw/zinc/84/87/21/1016848721.db2.gz DAKVRZZTGOWVFH-QYNIQEEDSA-N -1 0 312.244 -0.198 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H](C)NC(=O)c1ccn[nH]1 ZINC001593155514 1016849379 /nfs/dbraw/zinc/84/93/79/1016849379.db2.gz DHTHJTWERAMHEH-SFYZADRCSA-N -1 0 304.310 -0.061 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001439798673 1004122200 /nfs/dbraw/zinc/12/22/00/1004122200.db2.gz JPQCURIOPDDOGX-SECBINFHSA-N -1 0 314.363 -0.013 20 0 DBADRM C[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NCC(=O)[O-] ZINC001593176067 1016849630 /nfs/dbraw/zinc/84/96/30/1016849630.db2.gz JNHVWUWOCSYDGX-SECBINFHSA-N -1 0 308.290 -0.451 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)c1ccc(-c2nn[nH]n2)cc1F ZINC001593153147 1016850155 /nfs/dbraw/zinc/85/01/55/1016850155.db2.gz VSDPONHTJMRMRR-UHFFFAOYSA-N -1 0 305.229 -0.388 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001593181082 1016850696 /nfs/dbraw/zinc/85/06/96/1016850696.db2.gz DVODDVPQFULTQB-JMJZKYOTSA-N -1 0 310.306 -0.308 20 0 DBADRM Cc1nccn1CC(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001439875541 1004141976 /nfs/dbraw/zinc/14/19/76/1004141976.db2.gz VIYGJRHIDKBWAP-CQSZACIVSA-N -1 0 319.369 -0.204 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001593181853 1016851086 /nfs/dbraw/zinc/85/10/86/1016851086.db2.gz WVVHOCCMHFTGCS-MRVPVSSYSA-N -1 0 321.293 -0.496 20 0 DBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cccs1 ZINC001439975731 1004162071 /nfs/dbraw/zinc/16/20/71/1004162071.db2.gz MRBOMXHHLMDMED-CYBMUJFWSA-N -1 0 323.378 -0.061 20 0 DBADRM CC[C@@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C(=O)NC ZINC001418040291 1004173872 /nfs/dbraw/zinc/17/38/72/1004173872.db2.gz MQCVYMZOTPMIHE-SNVBAGLBSA-N -1 0 303.326 -0.671 20 0 DBADRM C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)[C@@H]1CN(C)CCN1C ZINC001593318625 1016858588 /nfs/dbraw/zinc/85/85/88/1016858588.db2.gz IYFZKPYFTAOTKD-MNOVXSKESA-N -1 0 319.427 -0.595 20 0 DBADRM O=C(CCC(F)F)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001439999094 1004181893 /nfs/dbraw/zinc/18/18/93/1004181893.db2.gz KEHVBKJCJFJKBU-LBPRGKRZSA-N -1 0 319.312 -0.391 20 0 DBADRM C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)[C@@H]1CN(C)CCN1C ZINC001593318627 1016859358 /nfs/dbraw/zinc/85/93/58/1016859358.db2.gz IYFZKPYFTAOTKD-QWRGUYRKSA-N -1 0 319.427 -0.595 20 0 DBADRM O=C([O-])/C=C/CNS(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC001593276956 1016855926 /nfs/dbraw/zinc/85/59/26/1016855926.db2.gz SIWIRKYMCBAGBH-ZZXKWVIFSA-N -1 0 309.307 -0.214 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2ccc(-c3nn[nH]n3)cn2)O1 ZINC001593275768 1016856572 /nfs/dbraw/zinc/85/65/72/1016856572.db2.gz XIBFGFXXEDFDJQ-UWVGGRQHSA-N -1 0 318.293 -0.490 20 0 DBADRM O=C([O-])/C=C\CNS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001593276968 1016856812 /nfs/dbraw/zinc/85/68/12/1016856812.db2.gz SNILOUJQLOQJDQ-UPHRSURJSA-N -1 0 310.295 -0.819 20 0 DBADRM C[C@](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)(C(=O)[O-])C1CC1 ZINC001593319131 1016859794 /nfs/dbraw/zinc/85/97/94/1016859794.db2.gz MZUBVDRHCOOFCZ-ZWNOBZJWSA-N -1 0 316.379 -0.078 20 0 DBADRM CC[C@@H](C)C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)OC ZINC001418179508 1004246921 /nfs/dbraw/zinc/24/69/21/1004246921.db2.gz OHMZMKVFLIMAPM-SFYZADRCSA-N -1 0 300.315 -0.217 20 0 DBADRM C[C@@H](NS(=O)(=O)C1CCC(C(=O)[O-])CC1)c1nnnn1C ZINC001593320635 1016861100 /nfs/dbraw/zinc/86/11/00/1016861100.db2.gz YVFHMSHMVKGGAM-AFPNSQJFSA-N -1 0 317.371 -0.166 20 0 DBADRM C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1nnnn1C1CC1 ZINC001593324500 1016861130 /nfs/dbraw/zinc/86/11/30/1016861130.db2.gz AFBYWXQHJNCQSA-SSDOTTSWSA-N -1 0 318.359 -0.690 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1coc2c1C(=O)NCCC2 ZINC001418189273 1004251778 /nfs/dbraw/zinc/25/17/78/1004251778.db2.gz YTNAIHPOEDMLPN-UHFFFAOYSA-N -1 0 306.278 -0.096 20 0 DBADRM C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)[C@@H]1CN(C)CCO1 ZINC001593320121 1016861917 /nfs/dbraw/zinc/86/19/17/1016861917.db2.gz TWXIWFOALNPOKA-ZJUUUORDSA-N -1 0 306.384 -0.510 20 0 DBADRM C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)[C@@H]1CN(C)CCO1 ZINC001593320119 1016861938 /nfs/dbraw/zinc/86/19/38/1016861938.db2.gz TWXIWFOALNPOKA-UWVGGRQHSA-N -1 0 306.384 -0.510 20 0 DBADRM C[C@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)c1nncn1C ZINC001593346326 1016863532 /nfs/dbraw/zinc/86/35/32/1016863532.db2.gz YYJZLGRQXJHTKQ-ZETCQYMHSA-N -1 0 311.323 -0.052 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H](C)CC(=O)[O-] ZINC001593347426 1016865614 /nfs/dbraw/zinc/86/56/14/1016865614.db2.gz KGXCRLOWRONNIE-JGVFFNPUSA-N -1 0 319.339 -0.507 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CCOC[C@@H]1CCO ZINC001593349070 1016865043 /nfs/dbraw/zinc/86/50/43/1016865043.db2.gz YFACVILJSIRWET-VIFPVBQESA-N -1 0 304.310 -0.515 20 0 DBADRM O=C(c1cnccc1-c1nn[nH]n1)N1CCC2(C1)OCCO2 ZINC001593363073 1016865355 /nfs/dbraw/zinc/86/53/55/1016865355.db2.gz LNKFYQFLHNCGEI-UHFFFAOYSA-N -1 0 302.294 -0.149 20 0 DBADRM C[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1nccn1C ZINC001593348089 1016865744 /nfs/dbraw/zinc/86/57/44/1016865744.db2.gz WGGGVCFGKYXHES-QMMMGPOBSA-N -1 0 313.339 -0.259 20 0 DBADRM O=C(c1cnccc1-c1nn[nH]n1)N1CC[C@@H](n2cncn2)C1 ZINC001593363644 1016865826 /nfs/dbraw/zinc/86/58/26/1016865826.db2.gz WNJRWQWUWBCEPT-SECBINFHSA-N -1 0 311.309 -0.060 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CCN2C(=O)CC[C@H]2C1 ZINC001593348982 1016866007 /nfs/dbraw/zinc/86/60/07/1016866007.db2.gz UDODAGGKIFDIIT-VIFPVBQESA-N -1 0 313.321 -0.292 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1nccn1C ZINC001593348088 1016866554 /nfs/dbraw/zinc/86/65/54/1016866554.db2.gz WGGGVCFGKYXHES-MRVPVSSYSA-N -1 0 313.339 -0.259 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC001593352724 1016866560 /nfs/dbraw/zinc/86/65/60/1016866560.db2.gz GYHXXIIBLFBTES-GMSGAONNSA-N -1 0 316.335 -0.428 20 0 DBADRM CC(=O)N(C)CC(=O)N1CCC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001418357563 1004357589 /nfs/dbraw/zinc/35/75/89/1004357589.db2.gz MZYPLCABPPETGX-NSHDSACASA-N -1 0 324.385 -0.589 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C(=O)[O-] ZINC001593411654 1016877930 /nfs/dbraw/zinc/87/79/30/1016877930.db2.gz IJLLAPAFZTWJDO-LLVKDONJSA-N -1 0 320.298 -0.962 20 0 DBADRM C[C@](O)(CNC(=O)c1cc(S(C)(=O)=O)ccc1N)C(=O)[O-] ZINC001593407087 1016878153 /nfs/dbraw/zinc/87/81/53/1016878153.db2.gz KDQOGRKLHNRLOL-LBPRGKRZSA-N -1 0 316.335 -0.762 20 0 DBADRM C[C@](O)(CNC(=O)Cn1cc(C(N)=O)c2ccccc21)C(=O)[O-] ZINC001593404699 1016875703 /nfs/dbraw/zinc/87/57/03/1016875703.db2.gz FDDXYLQSCYHKMO-HNNXBMFYSA-N -1 0 319.317 -0.308 20 0 DBADRM C[C@](O)(CNC(=O)C1CN(C(=O)C2CCCCC2)C1)C(=O)[O-] ZINC001593399617 1016876222 /nfs/dbraw/zinc/87/62/22/1016876222.db2.gz XWCCZGVCIRIDIJ-HNNXBMFYSA-N -1 0 312.366 -0.023 20 0 DBADRM CN1Cc2ccccc2[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1=O ZINC001418482288 1004424702 /nfs/dbraw/zinc/42/47/02/1004424702.db2.gz HVLQUTHJMLZTEB-NSHDSACASA-N -1 0 317.305 -0.481 20 0 DBADRM O=C1O[C@H](CNc2ccnc(-c3nnn[n-]3)n2)CN1C1CC1 ZINC001593410722 1016876778 /nfs/dbraw/zinc/87/67/78/1016876778.db2.gz DVEIELSTVORKPW-MRVPVSSYSA-N -1 0 302.298 -0.526 20 0 DBADRM C[C@](O)(CNC(=O)c1cnc(C2OCCO2)s1)C(=O)[O-] ZINC001593411971 1016877161 /nfs/dbraw/zinc/87/71/61/1016877161.db2.gz QTIRHXGNQCWRLD-NSHDSACASA-N -1 0 302.308 -0.246 20 0 DBADRM C[C@](O)(CO)CNC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001593421185 1016879048 /nfs/dbraw/zinc/87/90/48/1016879048.db2.gz ZFFWDFHJSCDKNI-OAHLLOKOSA-N -1 0 324.333 -0.498 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)N[C@H](CCF)C(=O)[O-] ZINC001593420403 1016879415 /nfs/dbraw/zinc/87/94/15/1016879415.db2.gz UOONGKYKYMTPSH-RNCFNFMXSA-N -1 0 300.286 -0.472 20 0 DBADRM CSCC[C@H](NC(=O)[C@@H]1CCCN1C(N)=O)c1nnn[n-]1 ZINC001418529829 1004457779 /nfs/dbraw/zinc/45/77/79/1004457779.db2.gz ZRHAPHOFEMFSQV-YUMQZZPRSA-N -1 0 313.387 -0.347 20 0 DBADRM C[C@@](O)(CO)CNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001593419650 1016880790 /nfs/dbraw/zinc/88/07/90/1016880790.db2.gz MXPQRFAOKNCAIZ-AWEZNQCLSA-N -1 0 310.306 -0.888 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC001593427545 1016881255 /nfs/dbraw/zinc/88/12/55/1016881255.db2.gz LPWAPZLWWHEWJI-SECBINFHSA-N -1 0 307.306 -0.555 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001593427239 1016881314 /nfs/dbraw/zinc/88/13/14/1016881314.db2.gz JHLGZMRJNORAIK-XMQPUEPBSA-N -1 0 320.345 -0.175 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001593426545 1016881484 /nfs/dbraw/zinc/88/14/84/1016881484.db2.gz SFIQCEMVRLHZCA-XXILOJSOSA-N -1 0 312.366 -0.121 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001593435143 1016882828 /nfs/dbraw/zinc/88/28/28/1016882828.db2.gz DYBCCOKALNRQLX-UZEXVOJHSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H](O)[C@@H](O)CNC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001593432371 1016882988 /nfs/dbraw/zinc/88/29/88/1016882988.db2.gz MYDQMDXZSJSSGD-SFYZADRCSA-N -1 0 300.315 -0.434 20 0 DBADRM C[C@H](O)[C@H]1CCCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001593435144 1016883141 /nfs/dbraw/zinc/88/31/41/1016883141.db2.gz DYBCCOKALNRQLX-VOBJUBJWSA-N -1 0 312.366 -0.025 20 0 DBADRM O=C(CNC(=O)OCC(F)(F)F)NCc1nc([O-])cc(=O)[nH]1 ZINC001418624325 1004505489 /nfs/dbraw/zinc/50/54/89/1004505489.db2.gz OEABDGQWJKHRLT-UHFFFAOYSA-N -1 0 324.215 -0.208 20 0 DBADRM O=S(=O)(NC[C@@H](O)C1CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593435025 1016884519 /nfs/dbraw/zinc/88/45/19/1016884519.db2.gz KHTGTZWDRBSLBY-MRVPVSSYSA-N -1 0 313.339 -0.101 20 0 DBADRM C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC(C)(C(=O)[O-])C1 ZINC001593433099 1016884603 /nfs/dbraw/zinc/88/46/03/1016884603.db2.gz UUHGYSBRCRVQBU-MWLCHTKSSA-N -1 0 312.366 -0.025 20 0 DBADRM O=S(=O)(NCC[C@H](O)C1CC1)c1cccnc1-c1nnn[n-]1 ZINC001593437604 1016885840 /nfs/dbraw/zinc/88/58/40/1016885840.db2.gz ABVDXRNZQYUDBE-VIFPVBQESA-N -1 0 324.366 -0.299 20 0 DBADRM C[C@H](O)[C@H]1CCCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001593436432 1016886010 /nfs/dbraw/zinc/88/60/10/1016886010.db2.gz LQLANMPDMQBAKX-NAKRPEOUSA-N -1 0 315.370 -0.233 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)C1 ZINC001593436423 1016886170 /nfs/dbraw/zinc/88/61/70/1016886170.db2.gz LPNULRLCJOLZLN-NOOOWODRSA-N -1 0 312.366 -0.215 20 0 DBADRM O=S(=O)(NC[C@H]1CC[C@@H](O)C1)c1cccnc1-c1nnn[n-]1 ZINC001593439528 1016886264 /nfs/dbraw/zinc/88/62/64/1016886264.db2.gz UPDIFRUJGFRIPC-DTWKUNHWSA-N -1 0 324.366 -0.299 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)C1 ZINC001593436427 1016886570 /nfs/dbraw/zinc/88/65/70/1016886570.db2.gz LPNULRLCJOLZLN-WRWGMCAJSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H](O)C1(NC(=O)C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CC1 ZINC001593437369 1016886717 /nfs/dbraw/zinc/88/67/17/1016886717.db2.gz RLHUQCKJYOXGHP-QMMMGPOBSA-N -1 0 324.337 -0.329 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1)C1CC1 ZINC001593446373 1016889762 /nfs/dbraw/zinc/88/97/62/1016889762.db2.gz GDWWILJOKQOCLC-GXSJLCMTSA-N -1 0 312.366 -0.025 20 0 DBADRM O=S(=O)(NCCc1cn[nH]c1)c1cccnc1-c1nnn[n-]1 ZINC001593440097 1016887489 /nfs/dbraw/zinc/88/74/89/1016887489.db2.gz DLBGCEFROPAHHF-UHFFFAOYSA-N -1 0 320.338 -0.494 20 0 DBADRM O=S(=O)(N[C@@H]1CCC[C@H]1O)c1cccnc1-c1nnn[n-]1 ZINC001593444122 1016887575 /nfs/dbraw/zinc/88/75/75/1016887575.db2.gz APHJRUHNQMLDSC-HTQZYQBOSA-N -1 0 310.339 -0.547 20 0 DBADRM O=S(=O)(NCCc1cnoc1)c1cccnc1-c1nnn[n-]1 ZINC001593440258 1016887694 /nfs/dbraw/zinc/88/76/94/1016887694.db2.gz STQZYWQIVTVMAN-UHFFFAOYSA-N -1 0 321.322 -0.229 20 0 DBADRM O=S(=O)(NC[C@H]1CCCO1)c1cccnc1-c1nnn[n-]1 ZINC001593443091 1016888108 /nfs/dbraw/zinc/88/81/08/1016888108.db2.gz LFZBRBRAYOLFIG-MRVPVSSYSA-N -1 0 310.339 -0.281 20 0 DBADRM O=S(=O)(NCCn1cnc(-c2nnn[n-]2)n1)c1ccoc1 ZINC001593443030 1016888174 /nfs/dbraw/zinc/88/81/74/1016888174.db2.gz JTWHVQRUQZTCBA-UHFFFAOYSA-N -1 0 310.299 -0.970 20 0 DBADRM C[C@@H](O)[C@H]1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001593440783 1016888247 /nfs/dbraw/zinc/88/82/47/1016888247.db2.gz BCIBWLAOECROLN-ZJUUUORDSA-N -1 0 301.343 -0.620 20 0 DBADRM C[C@@H](O)[C@@H]1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CCO1 ZINC001593440670 1016888668 /nfs/dbraw/zinc/88/86/68/1016888668.db2.gz AHXSKUCGFYHJOK-ZJUUUORDSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@@H](O)CN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1)C1CC1 ZINC001593446375 1016890424 /nfs/dbraw/zinc/89/04/24/1016890424.db2.gz GDWWILJOKQOCLC-MWLCHTKSSA-N -1 0 312.366 -0.025 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1CCN2CC[C@H]1C2 ZINC001593455293 1016891429 /nfs/dbraw/zinc/89/14/29/1016891429.db2.gz XSLLXGHPUHDPAP-QMMMGPOBSA-N -1 0 310.339 -0.462 20 0 DBADRM C[C@H](O)CN(C)C(=O)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001593456272 1016891845 /nfs/dbraw/zinc/89/18/45/1016891845.db2.gz AVYDXJSGBDZWSP-JTQLQIEISA-N -1 0 308.334 -0.117 20 0 DBADRM O=S(=O)(c1ccc(-c2nnn[n-]2)o1)N1CCn2cncc2C1 ZINC001593454995 1016892243 /nfs/dbraw/zinc/89/22/43/1016892243.db2.gz QFSLFTFVTADKDQ-UHFFFAOYSA-N -1 0 321.322 -0.139 20 0 DBADRM O=S1(=O)CCC(CNc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001593464714 1016892775 /nfs/dbraw/zinc/89/27/75/1016892775.db2.gz YBAACGYHEAMHDH-UHFFFAOYSA-N -1 0 309.355 -0.685 20 0 DBADRM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001593462284 1016894330 /nfs/dbraw/zinc/89/43/30/1016894330.db2.gz GLNYGGKVFGALHU-SECBINFHSA-N -1 0 318.351 -0.335 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)c2cnc(C(=O)[O-])cn2)[C@@H](C)C1 ZINC001593462715 1016894467 /nfs/dbraw/zinc/89/44/67/1016894467.db2.gz NVAYLMIWFSADAT-UWVGGRQHSA-N -1 0 308.338 -0.298 20 0 DBADRM C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001593472624 1016896013 /nfs/dbraw/zinc/89/60/13/1016896013.db2.gz SLUULFHZTFIPLP-DDHJBXDOSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N[C@@]2(C(=O)[O-])CCSC2)nn1 ZINC001593477566 1016896079 /nfs/dbraw/zinc/89/60/79/1016896079.db2.gz WTOAAXMEFHKEFB-HQJQHLMTSA-N -1 0 300.340 -0.592 20 0 DBADRM C[C@H](O)[C@H]1CCCN1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001593472785 1016896295 /nfs/dbraw/zinc/89/62/95/1016896295.db2.gz XDWYYSVFTZYQQF-VHSXEESVSA-N -1 0 301.343 -0.478 20 0 DBADRM C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001593471056 1016896721 /nfs/dbraw/zinc/89/67/21/1016896721.db2.gz DWYJGAKNMWLCBW-ZVXAKGHKSA-N -1 0 312.366 -0.073 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1Cc1nnc(C2CC2)s1 ZINC001593489152 1016897623 /nfs/dbraw/zinc/89/76/23/1016897623.db2.gz BMLDMILVNPGGTE-UHFFFAOYSA-N -1 0 318.322 -0.094 20 0 DBADRM C[C@H](O)c1ncc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])s1 ZINC001593482091 1016897806 /nfs/dbraw/zinc/89/78/06/1016897806.db2.gz OTAQRHCJRMAFEJ-BQBZGAKWSA-N -1 0 313.335 -0.388 20 0 DBADRM C[C@H](OC(=O)C(C)(CO)CO)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593483915 1016897980 /nfs/dbraw/zinc/89/79/80/1016897980.db2.gz BNDQMEYCOPOBSJ-VIFPVBQESA-N -1 0 317.338 -0.768 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1CCOC[C@@H]1c1nnn[n-]1)CC2 ZINC001418864388 1004692699 /nfs/dbraw/zinc/69/26/99/1004692699.db2.gz YORIHDKDRYCOEF-GZMMTYOYSA-N -1 0 318.341 -0.967 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1Cc1noc(C2CCC2)n1 ZINC001593489448 1016898391 /nfs/dbraw/zinc/89/83/91/1016898391.db2.gz NXAKTSWEGSYUAP-UHFFFAOYSA-N -1 0 316.281 -0.172 20 0 DBADRM O=c1[nH]c(=O)n(Cc2nc(C3CC3)no2)cc1-c1nnn[n-]1 ZINC001593488039 1016898487 /nfs/dbraw/zinc/89/84/87/1016898487.db2.gz FBPHRWIKYMWYKB-UHFFFAOYSA-N -1 0 302.254 -0.562 20 0 DBADRM O=c1c(-c2nnn[n-]2)c2c(cn1CC1(CO)COC1)CCCC2 ZINC001593492768 1016898618 /nfs/dbraw/zinc/89/86/18/1016898618.db2.gz XIAKGPFKOWKFRY-UHFFFAOYSA-N -1 0 317.349 -0.084 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001418901120 1004705852 /nfs/dbraw/zinc/70/58/52/1004705852.db2.gz FXMJFVYHWTXHND-ZJUUUORDSA-N -1 0 313.383 -0.300 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)C(=O)[O-] ZINC001593499119 1016899364 /nfs/dbraw/zinc/89/93/64/1016899364.db2.gz IMYXSLXYBIDPGQ-SFYZADRCSA-N -1 0 304.320 -0.213 20 0 DBADRM CO[C@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)[C@](C)(CO)C1 ZINC001418919521 1004716241 /nfs/dbraw/zinc/71/62/41/1004716241.db2.gz BZYUYAGZZNGNJE-HQJQHLMTSA-N -1 0 302.356 -0.399 20 0 DBADRM O=c1c(-c2nnn[n-]2)cn(CCO)c(=O)n1CCCC1CC1 ZINC001593495405 1016900728 /nfs/dbraw/zinc/90/07/28/1016900728.db2.gz YXORXKNIRQFKRS-UHFFFAOYSA-N -1 0 306.326 -0.627 20 0 DBADRM O=c1c(-c2nnn[n-]2)cnc2ncn(CCOCC(F)F)n21 ZINC001593494653 1016902190 /nfs/dbraw/zinc/90/21/90/1016902190.db2.gz NHJHAFATVHXZEN-UHFFFAOYSA-N -1 0 312.240 -0.647 20 0 DBADRM Cc1ccn([C@H](C)CC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001418988454 1004750301 /nfs/dbraw/zinc/75/03/01/1004750301.db2.gz AQHSXTMXSIVATO-SNVBAGLBSA-N -1 0 319.369 -0.033 20 0 DBADRM NC(=O)C1CN(C(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001418997818 1004755232 /nfs/dbraw/zinc/75/52/32/1004755232.db2.gz PTJHJQUEXVWLMI-UHFFFAOYSA-N -1 0 301.100 -0.498 20 0 DBADRM OC[C@@H](Cc1cncs1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001593521031 1016903981 /nfs/dbraw/zinc/90/39/81/1016903981.db2.gz OALNHDIHQZNQIJ-SSDOTTSWSA-N -1 0 304.339 -0.449 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(C/C=C\Cl)C1 ZINC001419036429 1004779609 /nfs/dbraw/zinc/77/96/09/1004779609.db2.gz KGWQCIZMTQJMMV-UPHRSURJSA-N -1 0 301.734 -0.510 20 0 DBADRM CNC(=O)CCCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001419049271 1004784346 /nfs/dbraw/zinc/78/43/46/1004784346.db2.gz NOZWQWFXFJHNIT-UWVGGRQHSA-N -1 0 322.369 -0.788 20 0 DBADRM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C(C)C ZINC001419069738 1004798263 /nfs/dbraw/zinc/79/82/63/1004798263.db2.gz ATFAXYHBRAJYKJ-CMPLNLGQSA-N -1 0 324.385 -0.639 20 0 DBADRM C[C@H](OC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)C(=O)[O-] ZINC001593528484 1016908255 /nfs/dbraw/zinc/90/82/55/1016908255.db2.gz WEBXAWXFOBPELY-DJLDLDEBSA-N -1 0 311.290 -0.253 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)NC1(c3nnn[n-]3)CCC1)CC2 ZINC001419165458 1004824343 /nfs/dbraw/zinc/82/43/43/1004824343.db2.gz VKFWLZSKVVCGLY-VIFPVBQESA-N -1 0 302.342 -0.142 20 0 DBADRM O=C(CCN1CCCC1=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001419194843 1004831763 /nfs/dbraw/zinc/83/17/63/1004831763.db2.gz PBPXCCDEHDZGRV-SNVBAGLBSA-N -1 0 322.369 -0.787 20 0 DBADRM Cn1ncnc1C1(O)CCN(C(=O)c2c[n-]ncc2=O)CC1 ZINC001419205944 1004834522 /nfs/dbraw/zinc/83/45/22/1004834522.db2.gz BIZQTNLUJQEWHV-UHFFFAOYSA-N -1 0 304.310 -0.566 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001496425496 1016913224 /nfs/dbraw/zinc/91/32/24/1016913224.db2.gz LXSLEBAZAXJOPD-BRPSZJMVSA-N -1 0 321.337 -0.483 20 0 DBADRM C[C@H](OC(=O)CN1CCCCC1=O)c1cn(CC(=O)[O-])nn1 ZINC001593533511 1016915235 /nfs/dbraw/zinc/91/52/35/1016915235.db2.gz DMNJMFWHENFFJT-VIFPVBQESA-N -1 0 310.310 -0.021 20 0 DBADRM C[C@H](OC(=O)COCc1ccnn1C)c1cn(CC(=O)[O-])nn1 ZINC001593533273 1016915752 /nfs/dbraw/zinc/91/57/52/1016915752.db2.gz BBXISCCNFPBLIX-VIFPVBQESA-N -1 0 323.309 -0.083 20 0 DBADRM C[C@H](OC(=O)CN1CCCS1(=O)=O)C(=O)C(C)(C)C(=O)[O-] ZINC001593534380 1016915766 /nfs/dbraw/zinc/91/57/66/1016915766.db2.gz WZGJHDBZUYHFMO-QMMMGPOBSA-N -1 0 321.351 -0.367 20 0 DBADRM CNC(=O)c1ccc(C(=O)N[C@@H](COC)c2nnn[n-]2)cn1 ZINC001419554365 1004899268 /nfs/dbraw/zinc/89/92/68/1004899268.db2.gz OKDFPKHJCBFNGX-VIFPVBQESA-N -1 0 305.298 -0.928 20 0 DBADRM C[C@@H](C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001419961065 1005031282 /nfs/dbraw/zinc/03/12/82/1005031282.db2.gz QEVRTDOZUQUJFG-VIFPVBQESA-N -1 0 308.346 -0.747 20 0 DBADRM C[C@@H](OC(=O)c1cn(C)c(=O)[nH]c1=O)c1cn(CC(=O)[O-])nn1 ZINC001593597950 1016931014 /nfs/dbraw/zinc/93/10/14/1016931014.db2.gz QEQJTCNWNVEFTE-ZCFIWIBFSA-N -1 0 323.265 -0.920 20 0 DBADRM CN(CCN(C)C(=O)c1cnn2c1CCC2)Cc1n[nH]c(=O)[n-]1 ZINC001419970030 1005035853 /nfs/dbraw/zinc/03/58/53/1005035853.db2.gz HTXQHSUGUJRLNT-UHFFFAOYSA-N -1 0 319.369 -0.143 20 0 DBADRM C[C@H](OCc1ccncc1)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001593611042 1016932375 /nfs/dbraw/zinc/93/23/75/1016932375.db2.gz NZRKWWWXCVQMON-CMPLNLGQSA-N -1 0 321.333 -0.212 20 0 DBADRM C[C@@H](OC[C@@H]1CCCO1)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001593606547 1016932423 /nfs/dbraw/zinc/93/24/23/1016932423.db2.gz RSWWANNDEITJMU-MNOVXSKESA-N -1 0 316.354 -0.332 20 0 DBADRM CC[C@H](NC(=O)c1ccc2c(c1)NC(=O)CNC2=O)C(=O)[O-] ZINC001593622198 1016932925 /nfs/dbraw/zinc/93/29/25/1016932925.db2.gz RJOCGMUHRZEAKH-VIFPVBQESA-N -1 0 305.290 -0.039 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001593606041 1016933081 /nfs/dbraw/zinc/93/30/81/1016933081.db2.gz HUFFYUHRUCHFHX-BJDJZHNGSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001593606520 1016933125 /nfs/dbraw/zinc/93/31/25/1016933125.db2.gz RKTSVLBYIAMZFY-AXFHLTTASA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@@H](OCc1ccncc1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001593611044 1016933481 /nfs/dbraw/zinc/93/34/81/1016933481.db2.gz NZRKWWWXCVQMON-PWSUYJOCSA-N -1 0 321.333 -0.212 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001420052773 1005061706 /nfs/dbraw/zinc/06/17/06/1005061706.db2.gz BDGMQYOVBGHCGK-UHFFFAOYSA-N -1 0 321.385 -0.017 20 0 DBADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001593690533 1016934477 /nfs/dbraw/zinc/93/44/77/1016934477.db2.gz SLLBAECHBUWSFO-BDAKNGLRSA-N -1 0 315.351 -0.127 20 0 DBADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001593690540 1016935424 /nfs/dbraw/zinc/93/54/24/1016935424.db2.gz SLLBAECHBUWSFO-RKDXNWHRSA-N -1 0 315.351 -0.127 20 0 DBADRM C[C@]1(Br)C[C@H]1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001593740869 1016935913 /nfs/dbraw/zinc/93/59/13/1016935913.db2.gz WNHOXJPRSRVHQK-HFJPGXAFSA-N -1 0 319.155 -0.038 20 0 DBADRM C[C@@]1(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CCC(=O)NC1 ZINC001593748683 1016936350 /nfs/dbraw/zinc/93/63/50/1016936350.db2.gz BNGSFYYMXUQNMB-YMTOWFKASA-N -1 0 314.338 -0.375 20 0 DBADRM CN(CCC(F)(F)F)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001593740346 1016936643 /nfs/dbraw/zinc/93/66/43/1016936643.db2.gz DJIGKNUBDHBREK-SSDOTTSWSA-N -1 0 312.244 -0.291 20 0 DBADRM C[C@]1(C(=O)NC[C@H](O)CNc2ncc(C(=O)[O-])cn2)CCOC1 ZINC001593749246 1016937895 /nfs/dbraw/zinc/93/78/95/1016937895.db2.gz KSTNMFPOWKTMGP-HZMBPMFUSA-N -1 0 324.337 -0.510 20 0 DBADRM C[C@@]1(C(N)=O)CCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001593815351 1016941765 /nfs/dbraw/zinc/94/17/65/1016941765.db2.gz JGKQKPLYVCTTBJ-SNVBAGLBSA-N -1 0 319.364 -0.273 20 0 DBADRM C[C@]1(C(=O)NCCOCC(=O)[O-])Oc2ccccc2NC1=O ZINC001593753919 1016938245 /nfs/dbraw/zinc/93/82/45/1016938245.db2.gz KTSYVIHJUHHVJD-CQSZACIVSA-N -1 0 308.290 -0.006 20 0 DBADRM C[C@@]1(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCCS1(=O)=O ZINC001593756543 1016938280 /nfs/dbraw/zinc/93/82/80/1016938280.db2.gz WUWFOIYLNJHLDD-LNLATYFQSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C3CC3)CC2)C1 ZINC001593783553 1016940092 /nfs/dbraw/zinc/94/00/92/1016940092.db2.gz OFHKLCPAJYWGGZ-HNNXBMFYSA-N -1 0 309.366 -0.384 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cnc(N)nc2)C1 ZINC001593779382 1016940246 /nfs/dbraw/zinc/94/02/46/1016940246.db2.gz YYVHPCMFAXJRCL-NSHDSACASA-N -1 0 300.340 -0.066 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)[C@@H]2CCO[C@H]21 ZINC001593833585 1016940925 /nfs/dbraw/zinc/94/09/25/1016940925.db2.gz RRSKAJDHDNJESI-UKKRHICBSA-N -1 0 310.350 -0.151 20 0 DBADRM CC1(C)[C@@H]2CN(C(=O)C(=O)N3CCC([C@H](O)C(=O)[O-])CC3)C[C@@H]21 ZINC001593842553 1016940978 /nfs/dbraw/zinc/94/09/78/1016940978.db2.gz PBIQKFCDBZIBKN-TUAOUCFPSA-N -1 0 324.377 -0.215 20 0 DBADRM CC1(C)CC(=O)N(CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001593843698 1016941179 /nfs/dbraw/zinc/94/11/79/1016941179.db2.gz QIJRINCYQOGQNG-SECBINFHSA-N -1 0 321.337 -0.034 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001593951297 1016944235 /nfs/dbraw/zinc/94/42/35/1016944235.db2.gz MXSQWEHWQNFUKN-ZJUUUORDSA-N -1 0 319.379 -0.050 20 0 DBADRM CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001593948340 1016944368 /nfs/dbraw/zinc/94/43/68/1016944368.db2.gz ALQQCNIPYVILTI-QMMMGPOBSA-N -1 0 301.324 -0.484 20 0 DBADRM CC1(C)CN(c2ncc(C(=O)[O-])cn2)C[C@@H]1NC(=O)CC(N)=O ZINC001593948561 1016945050 /nfs/dbraw/zinc/94/50/50/1016945050.db2.gz FWTYMQAZGNYNFP-VIFPVBQESA-N -1 0 321.337 -0.619 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001593951296 1016945061 /nfs/dbraw/zinc/94/50/61/1016945061.db2.gz MXSQWEHWQNFUKN-VHSXEESVSA-N -1 0 319.379 -0.050 20 0 DBADRM CC1(C)COC(=O)[C@@H]1NC(=O)COCc1ocnc1C(=O)[O-] ZINC001593953497 1016945094 /nfs/dbraw/zinc/94/50/94/1016945094.db2.gz VVHTXKJWEUUTNM-JTQLQIEISA-N -1 0 312.278 -0.043 20 0 DBADRM C[C@@H](c1cnccn1)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001420260070 1005177027 /nfs/dbraw/zinc/17/70/27/1005177027.db2.gz PDDDLYXZUMZUKU-QMMMGPOBSA-N -1 0 319.325 -0.504 20 0 DBADRM C[C@]1(CCC(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])CCC(=O)N1 ZINC001593999166 1016946418 /nfs/dbraw/zinc/94/64/18/1016946418.db2.gz GBYHUKHDZBXIAI-HZMBPMFUSA-N -1 0 308.338 -0.099 20 0 DBADRM C[C@@]1(CCCC(=O)N2CCOC[C@H]2C(=O)[O-])NC(=O)NC1=O ZINC001594000857 1016946963 /nfs/dbraw/zinc/94/69/63/1016946963.db2.gz IAPVTDASYGSOPF-SDBXPKJASA-N -1 0 313.310 -0.933 20 0 DBADRM C[C@]1(CCCC(=O)N2CCOC[C@H]2C(=O)[O-])NC(=O)NC1=O ZINC001594000852 1016947489 /nfs/dbraw/zinc/94/74/89/1016947489.db2.gz IAPVTDASYGSOPF-ISVAXAHUSA-N -1 0 313.310 -0.933 20 0 DBADRM C[C@]1(C2CCN(c3ncncc3C(=O)[O-])CC2)NC(=O)NC1=O ZINC001593994001 1016947670 /nfs/dbraw/zinc/94/76/70/1016947670.db2.gz DUUVJPIKWWIJBV-CQSZACIVSA-N -1 0 319.321 -0.011 20 0 DBADRM C[C@@]1(CCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])CCC(=O)N1 ZINC001593999692 1016947695 /nfs/dbraw/zinc/94/76/95/1016947695.db2.gz QGFBAGCEHMIMPD-OTYXRUKQSA-N -1 0 311.338 -0.763 20 0 DBADRM C[C@]1(CO)CCCN(C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC001594031757 1016949570 /nfs/dbraw/zinc/94/95/70/1016949570.db2.gz GEDKITYKZQIXDU-AWEZNQCLSA-N -1 0 300.355 -0.022 20 0 DBADRM C[C@]12CN(C(=O)c3cc(C(=O)[O-])ccn3)C[C@@]1(C)C(=O)NC2=O ZINC001594089547 1016955616 /nfs/dbraw/zinc/95/56/16/1016955616.db2.gz XUVYJWPXDUPEGT-GASCZTMLSA-N -1 0 317.301 -0.095 20 0 DBADRM C[C@@]1(CNS(=O)(=O)c2cc(C(=O)[O-])ccn2)CCC(=O)N1 ZINC001594027340 1016950617 /nfs/dbraw/zinc/95/06/17/1016950617.db2.gz GKHFQAZTILACNG-LBPRGKRZSA-N -1 0 313.335 -0.273 20 0 DBADRM C[C@]1(CCC(=O)[O-])NC(=O)N(C[C@@]2(O)CCCOC2)C1=O ZINC001594003321 1016950794 /nfs/dbraw/zinc/95/07/94/1016950794.db2.gz UCNNQUSEUZSDSS-OLZOCXBDSA-N -1 0 300.311 -0.297 20 0 DBADRM CCN(CCC(=O)NC)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001420352839 1005228332 /nfs/dbraw/zinc/22/83/32/1005228332.db2.gz NGIBECODFWTSLG-UHFFFAOYSA-N -1 0 306.326 -0.944 20 0 DBADRM Cc1cnc(CNC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)nc1 ZINC001420363595 1005232071 /nfs/dbraw/zinc/23/20/71/1005232071.db2.gz UDALDCMOFRDJBP-SECBINFHSA-N -1 0 321.341 -0.918 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001594033541 1016951898 /nfs/dbraw/zinc/95/18/98/1016951898.db2.gz YNEOVFBVCFBHAQ-KZWBYHQPSA-N -1 0 301.339 -0.257 20 0 DBADRM CC1([NH2+]Cc2n[nH]c(=O)[n-]2)CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001594060160 1016952557 /nfs/dbraw/zinc/95/25/57/1016952557.db2.gz KYIYRIRAKODQHJ-DTWKUNHWSA-N -1 0 323.353 -0.298 20 0 DBADRM C[C@@]1(CO)C[C@H](O)CN1C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001594033537 1016953172 /nfs/dbraw/zinc/95/31/72/1016953172.db2.gz YNEOVFBVCFBHAQ-DYNIEEOBSA-N -1 0 301.339 -0.257 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1S(=O)(=O)CCCCCC(=O)[O-] ZINC001594033156 1016953541 /nfs/dbraw/zinc/95/35/41/1016953541.db2.gz VTTBAESTRBHIJC-CMPLNLGQSA-N -1 0 309.384 -0.221 20 0 DBADRM C[C@@]1(NC(=O)Nc2ccc(C(=O)[O-])nn2)CCS(=O)(=O)C1 ZINC001594057099 1016953638 /nfs/dbraw/zinc/95/36/38/1016953638.db2.gz JFCGRMLLXYOAGA-LLVKDONJSA-N -1 0 314.323 -0.127 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOC[C@H]1CC1CCOCC1 ZINC001420451571 1005264911 /nfs/dbraw/zinc/26/49/11/1005264911.db2.gz JHSMFMIOWMIUSM-SNVBAGLBSA-N -1 0 324.337 -0.060 20 0 DBADRM CC1=NO[C@@](C)(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001594119699 1016958855 /nfs/dbraw/zinc/95/88/55/1016958855.db2.gz XSUFLYJEMUHXMG-LLVKDONJSA-N -1 0 318.351 -0.311 20 0 DBADRM C[C@@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCCC(=O)N1C ZINC001420507317 1005283335 /nfs/dbraw/zinc/28/33/35/1005283335.db2.gz OPFWJMPPEPTPQK-IUCAKERBSA-N -1 0 310.358 -0.885 20 0 DBADRM CC1=NO[C@](C)(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001594119700 1016959172 /nfs/dbraw/zinc/95/91/72/1016959172.db2.gz XSUFLYJEMUHXMG-NSHDSACASA-N -1 0 318.351 -0.311 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001594129200 1016960672 /nfs/dbraw/zinc/96/06/72/1016960672.db2.gz CMBIJJZNUYXICW-ZETCQYMHSA-N -1 0 323.280 -0.191 20 0 DBADRM NC(=O)CCCC(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001420572826 1005307819 /nfs/dbraw/zinc/30/78/19/1005307819.db2.gz LKRITGVQDWOAIJ-SECBINFHSA-N -1 0 310.358 -0.896 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001594130613 1016961482 /nfs/dbraw/zinc/96/14/82/1016961482.db2.gz VWCGCXFKRALZMS-SECBINFHSA-N -1 0 319.317 -0.401 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001420573133 1005308787 /nfs/dbraw/zinc/30/87/87/1005308787.db2.gz UESXTXHBDBZOKU-SECBINFHSA-N -1 0 307.358 -0.197 20 0 DBADRM CCCN(CCNC(=O)[C@H]1COCCO1)Cc1n[nH]c(=O)[n-]1 ZINC001420583253 1005312318 /nfs/dbraw/zinc/31/23/18/1005312318.db2.gz QLWJBKQCTTVISF-SNVBAGLBSA-N -1 0 313.358 -0.746 20 0 DBADRM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001594127759 1016962088 /nfs/dbraw/zinc/96/20/88/1016962088.db2.gz CMUBUEHDVXAOGQ-VIFPVBQESA-N -1 0 319.317 -0.101 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594127429 1016962339 /nfs/dbraw/zinc/96/23/39/1016962339.db2.gz ZZMWBBMOENBHRD-AEJSXWLSSA-N -1 0 304.368 -0.268 20 0 DBADRM CC1=C(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)Cn2nnnc2N1C ZINC001594091760 1016956140 /nfs/dbraw/zinc/95/61/40/1016956140.db2.gz ASQUUPJMQLYPQE-SECBINFHSA-N -1 0 304.310 -0.314 20 0 DBADRM C[C@@]12CCC(=O)N1[C@@H](C(=O)N[C@H]1CCO[C@H]1C(=O)[O-])CS2 ZINC001594085852 1016956346 /nfs/dbraw/zinc/95/63/46/1016956346.db2.gz QIGCLAASSRNUES-HVCLTNNCSA-N -1 0 314.363 -0.201 20 0 DBADRM C[C@]1(OC(=O)Cn2cc(C(=O)[O-])cn2)CCS(=O)(=O)C1 ZINC001594068428 1016956542 /nfs/dbraw/zinc/95/65/42/1016956542.db2.gz NDOVADZNJSZPMM-NSHDSACASA-N -1 0 302.308 -0.298 20 0 DBADRM C[C@]1(O)CCCN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001594065502 1016956658 /nfs/dbraw/zinc/95/66/58/1016956658.db2.gz YPGFPZLRQHUVDH-YGRLFVJLSA-N -1 0 314.338 -0.938 20 0 DBADRM C[C@@]1(NS(=O)(=O)c2scnc2C(=O)[O-])CCOC1=O ZINC001594065711 1016956957 /nfs/dbraw/zinc/95/69/57/1016956957.db2.gz FFRSCVARXUXKDJ-SECBINFHSA-N -1 0 306.321 -0.175 20 0 DBADRM C[C@@]12COC[C@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])C2 ZINC001594087125 1016957012 /nfs/dbraw/zinc/95/70/12/1016957012.db2.gz AKDAYAUNTMPZCN-QMTHXVAHSA-N -1 0 313.354 -0.355 20 0 DBADRM CC1=NO[C@H](C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001594119310 1016957458 /nfs/dbraw/zinc/95/74/58/1016957458.db2.gz PSAUAOQLHFLCQJ-QMMMGPOBSA-N -1 0 304.324 -0.701 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001594120488 1016957854 /nfs/dbraw/zinc/95/78/54/1016957854.db2.gz LLXDQWQVMNPRRE-IUCAKERBSA-N -1 0 315.351 -0.157 20 0 DBADRM CC1=C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)Cn2nnnc2N1C ZINC001594093569 1016957870 /nfs/dbraw/zinc/95/78/70/1016957870.db2.gz GDDRGQAVTUARJK-ITMYJUKJSA-N -1 0 318.337 -0.234 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCOc1cccnc1 ZINC001594139105 1016964776 /nfs/dbraw/zinc/96/47/76/1016964776.db2.gz RNGQTBFYWFFJSG-JQWIXIFHSA-N -1 0 321.333 -0.102 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCOc1cccnc1 ZINC001594139107 1016965509 /nfs/dbraw/zinc/96/55/09/1016965509.db2.gz RNGQTBFYWFFJSG-ZYHUDNBSSA-N -1 0 321.333 -0.102 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCc1cnn(C)c1 ZINC001594138795 1016965750 /nfs/dbraw/zinc/96/57/50/1016965750.db2.gz OWBHCWRPNNPAQC-ONGXEEELSA-N -1 0 308.338 -0.600 20 0 DBADRM COc1cnc([C@@H]2CCCN2CC(=O)NCC(=O)[O-])[nH]c1=O ZINC001594153545 1016967941 /nfs/dbraw/zinc/96/79/41/1016967941.db2.gz ZFIHMSOAJWFKSA-QMMMGPOBSA-N -1 0 310.310 -0.472 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCCOCCS(C)(=O)=O ZINC001594150116 1016967992 /nfs/dbraw/zinc/96/79/92/1016967992.db2.gz QYRGJYPVOAWMHF-ZJUUUORDSA-N -1 0 322.383 -0.448 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NCCCN1C(=O)CNC1=O ZINC001594149734 1016966883 /nfs/dbraw/zinc/96/68/83/1016966883.db2.gz NFOCLJRPLAATSV-RKDXNWHRSA-N -1 0 312.326 -0.567 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC001594144847 1016967148 /nfs/dbraw/zinc/96/71/48/1016967148.db2.gz GWJOLWDBGNXWMW-ANNNZRCOSA-N -1 0 321.333 -0.581 20 0 DBADRM COc1cccn2c(=O)n(CN3CCO[C@@H](C(=O)[O-])C3)nc12 ZINC001594148447 1016967399 /nfs/dbraw/zinc/96/73/99/1016967399.db2.gz UZWPZZDHTZLUSX-SNVBAGLBSA-N -1 0 308.294 -0.753 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)N[C@H]1CCc2nnnn2CC1 ZINC001594148259 1016968062 /nfs/dbraw/zinc/96/80/62/1016968062.db2.gz AZZXLDRYQSDKAO-UTLUCORTSA-N -1 0 308.342 -0.117 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@H](n2cccn2)C1 ZINC001594140492 1016968182 /nfs/dbraw/zinc/96/81/82/1016968182.db2.gz YITFQQZGBZYYJO-GRYCIOLGSA-N -1 0 320.349 -0.022 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC001594140729 1016968212 /nfs/dbraw/zinc/96/82/12/1016968212.db2.gz GYHRWVHBGQGCFZ-YUMQZZPRSA-N -1 0 320.305 -0.559 20 0 DBADRM COc1nccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC001594160337 1016970132 /nfs/dbraw/zinc/97/01/32/1016970132.db2.gz BJBZHSGDXKIQNJ-UHFFFAOYSA-N -1 0 308.294 -0.205 20 0 DBADRM COc1nc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])co1 ZINC001594156100 1016970270 /nfs/dbraw/zinc/97/02/70/1016970270.db2.gz JKIDLYNEWXHCLX-SSDOTTSWSA-N -1 0 304.280 -0.993 20 0 DBADRM COc1nn(C)cc1C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC001594161095 1016970312 /nfs/dbraw/zinc/97/03/12/1016970312.db2.gz JVAGXANZHDNLMM-QMMMGPOBSA-N -1 0 312.326 -0.520 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC001594158535 1016970502 /nfs/dbraw/zinc/97/05/02/1016970502.db2.gz IOQZPLLWHRHLPK-IONNQARKSA-N -1 0 313.335 -0.336 20 0 DBADRM COc1ncccc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594159123 1016970686 /nfs/dbraw/zinc/97/06/86/1016970686.db2.gz FTTIEXYRUHZSOG-SNVBAGLBSA-N -1 0 300.336 -0.226 20 0 DBADRM COc1cncc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)n1 ZINC001594155216 1016970835 /nfs/dbraw/zinc/97/08/35/1016970835.db2.gz UVUHQUSHCXWSKQ-QMMMGPOBSA-N -1 0 310.310 -0.103 20 0 DBADRM CS(=O)(=O)C1(C(=O)Nc2cc(C(=O)[O-])n[nH]2)CCOCC1 ZINC001594161734 1016970933 /nfs/dbraw/zinc/97/09/33/1016970933.db2.gz DZCWCDPQALJZRY-UHFFFAOYSA-N -1 0 317.323 -0.360 20 0 DBADRM COc1cncnc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001594155033 1016971066 /nfs/dbraw/zinc/97/10/66/1016971066.db2.gz OMNNHVVCNGRCQI-RKDXNWHRSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1nccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001594160668 1016971240 /nfs/dbraw/zinc/97/12/40/1016971240.db2.gz VFXNQSRTRYTOFP-VIFPVBQESA-N -1 0 301.324 -0.831 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC001594162226 1016971442 /nfs/dbraw/zinc/97/14/42/1016971442.db2.gz NIDPZALQPPJBNL-SFYZADRCSA-N -1 0 317.305 -0.237 20 0 DBADRM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)C(=O)NCCC(=O)[O-])C1 ZINC001594163968 1016973148 /nfs/dbraw/zinc/97/31/48/1016973148.db2.gz IWMSBBMYNRFSOL-IUCAKERBSA-N -1 0 320.367 -0.951 20 0 DBADRM CS(=O)(=O)C1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001594163989 1016973733 /nfs/dbraw/zinc/97/37/33/1016973733.db2.gz JQUQBGCDZQZGAI-GFCCVEGCSA-N -1 0 305.352 -0.344 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594163668 1016973911 /nfs/dbraw/zinc/97/39/11/1016973911.db2.gz IQDGRAPMQWQFRV-VXNVDRBHSA-N -1 0 304.324 -0.891 20 0 DBADRM CS(=O)(=O)CCCCCNC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001594165716 1016974016 /nfs/dbraw/zinc/97/40/16/1016974016.db2.gz ZXCDPHCXMKTEQO-GFCCVEGCSA-N -1 0 307.368 -0.049 20 0 DBADRM CS(=O)(=O)CCNC(=S)NCC1(C(=O)[O-])CCOCC1 ZINC001594165598 1016974148 /nfs/dbraw/zinc/97/41/48/1016974148.db2.gz XKQZHZXTWVIQTK-UHFFFAOYSA-N -1 0 324.424 -0.624 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001594164618 1016974549 /nfs/dbraw/zinc/97/45/49/1016974549.db2.gz UTKKQFADBXQNAY-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1nnnn1CCCN1CCOCC1 ZINC001594175492 1016978967 /nfs/dbraw/zinc/97/89/67/1016978967.db2.gz YCMPARPMNZKKIH-VXGBXAGGSA-N -1 0 324.385 -0.305 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594168774 1016975154 /nfs/dbraw/zinc/97/51/54/1016975154.db2.gz UPMNTRMHBUHSOT-VHSXEESVSA-N -1 0 307.368 -0.335 20 0 DBADRM CS(=O)(=O)Cc1nc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)co1 ZINC001594167737 1016975789 /nfs/dbraw/zinc/97/57/89/1016975789.db2.gz HOXCLMTWZXTLLY-LJGSYFOKSA-N -1 0 302.308 -0.188 20 0 DBADRM CC(C)[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ccon1 ZINC001496630831 1016975752 /nfs/dbraw/zinc/97/57/52/1016975752.db2.gz ZJCGQLTZNPTIKP-JTQLQIEISA-N -1 0 324.341 -0.392 20 0 DBADRM CS(=O)(=O)NCCNC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001594169232 1016976453 /nfs/dbraw/zinc/97/64/53/1016976453.db2.gz FQDYQTYJKRERGG-IHWYPQMZSA-N -1 0 302.308 -0.344 20 0 DBADRM CS(=O)(=O)N1CCC(CC(=O)N2CC(C(=O)[O-])C2)CC1 ZINC001594167834 1016976686 /nfs/dbraw/zinc/97/66/86/1016976686.db2.gz HYCPARHHIHWLSL-UHFFFAOYSA-N -1 0 304.368 -0.409 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)C1(C(=O)[O-])CC1 ZINC001594169661 1016976868 /nfs/dbraw/zinc/97/68/68/1016976868.db2.gz CRVVMQRHIOEJAY-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CS(=O)(=O)NCCCOC(=O)c1ccc(C(=O)[O-])cn1 ZINC001594169231 1016977108 /nfs/dbraw/zinc/97/71/08/1016977108.db2.gz FNHYTGJKRHNELL-UHFFFAOYSA-N -1 0 302.308 -0.124 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001594170393 1016978014 /nfs/dbraw/zinc/97/80/14/1016978014.db2.gz MXYCFAZYOGAYQD-BBBLOLIVSA-N -1 0 319.383 -0.570 20 0 DBADRM CS(=O)(=O)c1ccc(F)c(CNC(=O)COCC(=O)[O-])c1 ZINC001594174466 1016978481 /nfs/dbraw/zinc/97/84/81/1016978481.db2.gz WMKBAPSKCGILJJ-UHFFFAOYSA-N -1 0 319.310 -0.053 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)co1 ZINC001594172273 1016979176 /nfs/dbraw/zinc/97/91/76/1016979176.db2.gz NUOIGYCMXXSTMS-NSHDSACASA-N -1 0 303.292 -0.343 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)co1 ZINC001594172272 1016979724 /nfs/dbraw/zinc/97/97/24/1016979724.db2.gz NUOIGYCMXXSTMS-LLVKDONJSA-N -1 0 303.292 -0.343 20 0 DBADRM CSCC[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)C(N)=O ZINC001594185985 1016981856 /nfs/dbraw/zinc/98/18/56/1016981856.db2.gz AZCURFNMFCIXAK-GUBZILKMSA-N -1 0 318.395 -0.021 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CCO1 ZINC001594201705 1016985142 /nfs/dbraw/zinc/98/51/42/1016985142.db2.gz YZPOVRBCPWGTQM-GMTAPVOTSA-N -1 0 319.379 -0.098 20 0 DBADRM CS[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001594181601 1016982293 /nfs/dbraw/zinc/98/22/93/1016982293.db2.gz QNUNWSMOGBXDPY-QMMMGPOBSA-N -1 0 312.351 -0.130 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cn1nc(C(=O)[O-])ccc1=O ZINC001594179834 1016982484 /nfs/dbraw/zinc/98/24/84/1016982484.db2.gz RESAWLHMJXRLED-BDAKNGLRSA-N -1 0 315.351 -0.594 20 0 DBADRM CSCC[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(=O)N(C)C ZINC001594186402 1016982523 /nfs/dbraw/zinc/98/25/23/1016982523.db2.gz LRHXQMFVRYHXDM-IONNQARKSA-N -1 0 317.367 -0.458 20 0 DBADRM CSCc1nc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001594189259 1016982554 /nfs/dbraw/zinc/98/25/54/1016982554.db2.gz ZNGTXFKBXNPLFQ-SSDOTTSWSA-N -1 0 315.355 -0.337 20 0 DBADRM C[C@@H]1[C@H](OC(=O)Cn2cccc(C(=O)[O-])c2=O)CC(=O)N1C ZINC001594191823 1016984670 /nfs/dbraw/zinc/98/46/70/1016984670.db2.gz FQWRUNCEOGJSFR-PSASIEDQSA-N -1 0 308.290 -0.291 20 0 DBADRM C[C@@H](C(=O)OCC(=O)C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001594199122 1016984793 /nfs/dbraw/zinc/98/47/93/1016984793.db2.gz HHLZLCMBTHMJBZ-DJLDLDEBSA-N -1 0 311.290 -0.253 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)[C@H](C)O1 ZINC001594201345 1016985443 /nfs/dbraw/zinc/98/54/43/1016985443.db2.gz HYGPRYDTKHTWFP-UTLUCORTSA-N -1 0 319.379 -0.052 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC001594229971 1016986368 /nfs/dbraw/zinc/98/63/68/1016986368.db2.gz ZCUHFMNTVJAGSK-MNOVXSKESA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001594224427 1016986504 /nfs/dbraw/zinc/98/65/04/1016986504.db2.gz COTAYFUTCBCLQW-PTRXPTGYSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC001594226070 1016987064 /nfs/dbraw/zinc/98/70/64/1016987064.db2.gz HFLACTZXAHTYNR-BMIGLBTASA-N -1 0 322.365 -0.002 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC001594225355 1016987083 /nfs/dbraw/zinc/98/70/83/1016987083.db2.gz GCUBSOWENFZFDU-PELKAZGASA-N -1 0 305.352 -0.847 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC001594218158 1016987514 /nfs/dbraw/zinc/98/75/14/1016987514.db2.gz BKYBQUHXTHLZTM-VXNVDRBHSA-N -1 0 313.335 -0.042 20 0 DBADRM C[C@@]12CN(C(=O)NCCCC(=O)[O-])C[C@@H]1CS(=O)(=O)C2 ZINC001594230912 1016987872 /nfs/dbraw/zinc/98/78/72/1016987872.db2.gz GDWWGAWZOJTRRX-SKDRFNHKSA-N -1 0 304.368 -0.073 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CCS1(=O)=O ZINC001594245242 1016989180 /nfs/dbraw/zinc/98/91/80/1016989180.db2.gz GWTINTWJDYYGGY-HBNTYKKESA-N -1 0 319.379 -0.098 20 0 DBADRM C[C@@]12CN(C(=O)[C@]3(C(=O)[O-])CCCO3)C[C@@H]1CS(=O)(=O)C2 ZINC001594231768 1016989325 /nfs/dbraw/zinc/98/93/25/1016989325.db2.gz YHOCSHUPXCDRJL-ICCXJUOJSA-N -1 0 317.363 -0.487 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(OC2COC2)cc1)C(=O)[O-] ZINC001594232960 1016989524 /nfs/dbraw/zinc/98/95/24/1016989524.db2.gz JVVHRPOVLIDAFP-QMMMGPOBSA-N -1 0 308.290 -0.008 20 0 DBADRM C[C@H]1CN(C(=O)C2(CC(=O)[O-])CCOCC2)CCS1(=O)=O ZINC001594245119 1016990181 /nfs/dbraw/zinc/99/01/81/1016990181.db2.gz AOPCTSUETMNMKX-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM C[C@@H]1C[C@@H](CNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CCO1 ZINC001594238669 1016990197 /nfs/dbraw/zinc/99/01/97/1016990197.db2.gz DQVFFTZIUUARCM-BDAKNGLRSA-N -1 0 324.337 -0.012 20 0 DBADRM C[C@@H]1C[C@@H](C)N(C(=O)C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001594231837 1016990536 /nfs/dbraw/zinc/99/05/36/1016990536.db2.gz VYYNQMHVEOFNHP-NXEZZACHSA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)OC[C@H]1CCN(S(C)(=O)=O)C1 ZINC001594231567 1016990576 /nfs/dbraw/zinc/99/05/76/1016990576.db2.gz SBOBJPFBPXFTCY-VDDIYKPWSA-N -1 0 305.352 -0.078 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)CC(N)=O)CN1c1ccnc(C(=O)[O-])n1 ZINC001594314661 1016999594 /nfs/dbraw/zinc/99/95/94/1016999594.db2.gz QXBMMYUMZNZULG-BDAKNGLRSA-N -1 0 321.337 -0.476 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)CC(N)=O)CN1c1ccnc(C(=O)[O-])n1 ZINC001594314693 1017000010 /nfs/dbraw/zinc/00/00/10/1017000010.db2.gz QXBMMYUMZNZULG-RKDXNWHRSA-N -1 0 321.337 -0.476 20 0 DBADRM Cc1ccc(OC[C@H](O)CN2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC001594375609 1017000019 /nfs/dbraw/zinc/00/00/19/1017000019.db2.gz ALANEOZPXRKXGT-CYBMUJFWSA-N -1 0 322.361 -0.036 20 0 DBADRM C[C@@H]1CCCCN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001594370302 1017000189 /nfs/dbraw/zinc/00/01/89/1017000189.db2.gz LQEFWGBKJVDRCQ-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM Cc1c(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)nn2c1OCCC2 ZINC001594260254 1016996034 /nfs/dbraw/zinc/99/60/34/1016996034.db2.gz IXEFGABUEKGPDD-VIFPVBQESA-N -1 0 323.305 -0.184 20 0 DBADRM C[C@@H]1C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])c2ncnn21 ZINC001594263546 1016996494 /nfs/dbraw/zinc/99/64/94/1016996494.db2.gz AJSBEWCDGSLGFD-SFYZADRCSA-N -1 0 303.344 -0.475 20 0 DBADRM C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN[C@@](C)(CO)C(=O)[O-] ZINC001594366566 1016998820 /nfs/dbraw/zinc/99/88/20/1016998820.db2.gz QYDPCQCYGKEYNU-BFVZDQMLSA-N -1 0 315.370 -0.184 20 0 DBADRM Cc1ccc2nc(CNC(=O)C(=O)NCCC(=O)[O-])cn2c1 ZINC001594385060 1017004106 /nfs/dbraw/zinc/00/41/06/1017004106.db2.gz CZQOVZVTTFYSTO-UHFFFAOYSA-N -1 0 304.306 -0.150 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C)CC2)C[C@@H](C(=O)[O-])O1 ZINC001594394915 1017004884 /nfs/dbraw/zinc/00/48/84/1017004884.db2.gz XUIGOWRDOVZYQO-MXWKQRLJSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)C[C@@H]1F ZINC001594394068 1017005589 /nfs/dbraw/zinc/00/55/89/1017005589.db2.gz SHAGNVTYYKMDIV-MXWKQRLJSA-N -1 0 316.329 -0.105 20 0 DBADRM Cc1cccc([C@@H](NC(=O)c2cn(CC(N)=O)nn2)C(=O)[O-])c1 ZINC001594399958 1017005954 /nfs/dbraw/zinc/00/59/54/1017005954.db2.gz VKRBOYPTHAJSCQ-GFCCVEGCSA-N -1 0 317.305 -0.372 20 0 DBADRM CC1CCN(C(=O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CC1 ZINC001594393759 1017007383 /nfs/dbraw/zinc/00/73/83/1017007383.db2.gz RGRKGBDJHZPBLN-NSHDSACASA-N -1 0 308.338 -0.220 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)[C@H](C(=O)[O-])C1 ZINC001594411536 1017007497 /nfs/dbraw/zinc/00/74/97/1017007497.db2.gz PSUHMKKETLHXMX-JLLWLGSASA-N -1 0 311.338 -0.438 20 0 DBADRM CC1CCN(S(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)CC1 ZINC001594429185 1017008728 /nfs/dbraw/zinc/00/87/28/1017008728.db2.gz ORBWHEFGNPEJJR-UHFFFAOYSA-N -1 0 306.384 -0.222 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594425722 1017009792 /nfs/dbraw/zinc/00/97/92/1017009792.db2.gz KHHJBMKOAJYXFY-SNVBAGLBSA-N -1 0 308.338 -0.076 20 0 DBADRM CC1CCN(S(=O)(=O)N[C@H](CC2OCCO2)C(=O)[O-])CC1 ZINC001594428970 1017009934 /nfs/dbraw/zinc/00/99/34/1017009934.db2.gz LAEQBTFTNMWVTH-SNVBAGLBSA-N -1 0 322.383 -0.231 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001594439642 1017012616 /nfs/dbraw/zinc/01/26/16/1017012616.db2.gz VGKYETVYCGZDFN-IMTBSYHQSA-N -1 0 302.308 -0.219 20 0 DBADRM Cc1cnc(COCC(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)o1 ZINC001594430147 1017010091 /nfs/dbraw/zinc/01/00/91/1017010091.db2.gz FOXJFZAVQFLPQW-SECBINFHSA-N -1 0 312.278 -0.272 20 0 DBADRM Cc1ccnc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001594424735 1017010400 /nfs/dbraw/zinc/01/04/00/1017010400.db2.gz USCVBYWHXRLJEY-UHFFFAOYSA-N -1 0 314.367 -0.084 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001594421469 1017010604 /nfs/dbraw/zinc/01/06/04/1017010604.db2.gz YTFJPAFUHDEXHG-SECBINFHSA-N -1 0 309.322 -0.189 20 0 DBADRM Cc1ccnc(NC(=O)CN(C)[C@@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC001594424375 1017010637 /nfs/dbraw/zinc/01/06/37/1017010637.db2.gz KMQSINQODJLCNF-LLVKDONJSA-N -1 0 320.349 -0.054 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001594439644 1017011220 /nfs/dbraw/zinc/01/12/20/1017011220.db2.gz VGKYETVYCGZDFN-RCOVLWMOSA-N -1 0 302.308 -0.219 20 0 DBADRM C[C@H]1CCc2nc(C(=O)N[C@H](Cn3cncn3)C(=O)[O-])cn2C1 ZINC001594448148 1017011646 /nfs/dbraw/zinc/01/16/46/1017011646.db2.gz PPKORUQHQSJULZ-GXSJLCMTSA-N -1 0 318.337 -0.060 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001594439314 1017012113 /nfs/dbraw/zinc/01/21/13/1017012113.db2.gz PIIBBMJOYHURLW-SCZZXKLOSA-N -1 0 304.368 -0.315 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1scnc1C(=O)[O-] ZINC001594439581 1017012126 /nfs/dbraw/zinc/01/21/26/1017012126.db2.gz UGMJXAAWLCGQGV-RITPCOANSA-N -1 0 319.364 -0.356 20 0 DBADRM Cc1nc(CNC(=O)c2cc(C(=O)[O-])nn2C)sc1C(N)=O ZINC001594453601 1017016454 /nfs/dbraw/zinc/01/64/54/1017016454.db2.gz ITQLCLQFQZAQHU-UHFFFAOYSA-N -1 0 323.334 -0.088 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)CC(=O)N1C ZINC001594453177 1017016486 /nfs/dbraw/zinc/01/64/86/1017016486.db2.gz FRZDTTRAVASFNZ-XNWIYYODSA-N -1 0 311.338 -0.955 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)[C@@H](C)CO1 ZINC001594459356 1017017127 /nfs/dbraw/zinc/01/71/27/1017017127.db2.gz WHEJSNRFVVGHAA-JGVFFNPUSA-N -1 0 310.310 -0.307 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC12CC2 ZINC001428730918 1006010274 /nfs/dbraw/zinc/01/02/74/1006010274.db2.gz OSADRFNCKMPSJH-RQJHMYQMSA-N -1 0 307.310 -0.683 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1(C)CCC1 ZINC001428740284 1006014512 /nfs/dbraw/zinc/01/45/12/1006014512.db2.gz KVJKKIRTRMWQRQ-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1nc(Cn2nnc(C(=O)N3CC[C@@H](C(=O)[O-])C3)c2C)no1 ZINC001594456971 1017017910 /nfs/dbraw/zinc/01/79/10/1017017910.db2.gz CILSIIAQMXCGGC-SECBINFHSA-N -1 0 320.309 -0.127 20 0 DBADRM Cc1nc(Cn2nnc(NC(=O)N[C@@H](C)C(=O)[O-])c2C)no1 ZINC001594457853 1017018065 /nfs/dbraw/zinc/01/80/65/1017018065.db2.gz RWOQBZJJRSOSAG-YFKPBYRVSA-N -1 0 309.286 -0.079 20 0 DBADRM COC[C@H](OC)C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001440240265 1006020419 /nfs/dbraw/zinc/02/04/19/1006020419.db2.gz IKDAYYZVBSYAFE-UWVGGRQHSA-N -1 0 313.358 -0.796 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC(=O)N1 ZINC001594458453 1017018500 /nfs/dbraw/zinc/01/85/00/1017018500.db2.gz HEFOEQGTJVYKLZ-SSDOTTSWSA-N -1 0 323.280 -0.191 20 0 DBADRM O=C(CCC(F)F)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001440248479 1006028372 /nfs/dbraw/zinc/02/83/72/1006028372.db2.gz BQROMBQIRVXXEM-MRVPVSSYSA-N -1 0 319.312 -0.127 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCOCC[C@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001594440457 1017012713 /nfs/dbraw/zinc/01/27/13/1017012713.db2.gz SNERHVHLGBRTCJ-VWYCJHECSA-N -1 0 314.338 -0.676 20 0 DBADRM Cc1cnn(C)c1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594434729 1017013450 /nfs/dbraw/zinc/01/34/50/1017013450.db2.gz RJXXUJPSBBQVSO-SNVBAGLBSA-N -1 0 308.338 -0.076 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)[C@H](C)CO1 ZINC001594452854 1017015157 /nfs/dbraw/zinc/01/51/57/1017015157.db2.gz BAKNDPFODVBXCU-DBIOUOCHSA-N -1 0 314.338 -0.677 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC(=O)N1 ZINC001594455408 1017015256 /nfs/dbraw/zinc/01/52/56/1017015256.db2.gz SUBMRFSRJKXOSS-VHSXEESVSA-N -1 0 323.349 -0.953 20 0 DBADRM C[C@@H]1[C@H](C)CN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)[C@H]1C ZINC001594453983 1017015999 /nfs/dbraw/zinc/01/59/99/1017015999.db2.gz KUUVHWOJSPCJGZ-LDMBFOFVSA-N -1 0 312.366 -0.217 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001428828333 1006066243 /nfs/dbraw/zinc/06/62/43/1006066243.db2.gz DDXQCIAMZVJCFZ-IVZWLZJFSA-N -1 0 322.365 -0.234 20 0 DBADRM Cc1nc2ccc(NC(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)cn2n1 ZINC001594464315 1017019681 /nfs/dbraw/zinc/01/96/81/1017019681.db2.gz RPZWSDROAJJAFX-SECBINFHSA-N -1 0 317.305 -0.091 20 0 DBADRM C[C@@H]1CN(C(=O)CSCC(N)=O)CCN1CCC(=O)[O-] ZINC001594468752 1017022775 /nfs/dbraw/zinc/02/27/75/1017022775.db2.gz PZSQASYLZDKARK-SECBINFHSA-N -1 0 303.384 -0.788 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NC(=O)C1(C(=O)[O-])CCOCC1)CC2 ZINC001594466246 1017023740 /nfs/dbraw/zinc/02/37/40/1017023740.db2.gz XFHIATZAMJSOSR-JTQLQIEISA-N -1 0 308.338 -0.101 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cnc(C(=O)[O-])cc2=O)CC(C)(C)O1 ZINC001594471486 1017025155 /nfs/dbraw/zinc/02/51/55/1017025155.db2.gz XHQJZZPRIOIOCG-SECBINFHSA-N -1 0 309.322 -0.033 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001594480341 1017025679 /nfs/dbraw/zinc/02/56/79/1017025679.db2.gz MAAODYWFAYRAQA-NSHDSACASA-N -1 0 319.321 -0.105 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)C[C@H](C)S1(=O)=O ZINC001594471473 1017025815 /nfs/dbraw/zinc/02/58/15/1017025815.db2.gz XFQXBHZAMVTZOC-DTORHVGOSA-N -1 0 315.351 -0.385 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001594480368 1017025980 /nfs/dbraw/zinc/02/59/80/1017025980.db2.gz MKSHEPKAPPZABA-VIFPVBQESA-N -1 0 323.305 -0.552 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)CC(=O)N1 ZINC001594473334 1017027037 /nfs/dbraw/zinc/02/70/37/1017027037.db2.gz KHXWGVCXEYITFB-RKDXNWHRSA-N -1 0 321.337 -0.054 20 0 DBADRM CC1N=NC(=S)N1CCNC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001594494355 1017027729 /nfs/dbraw/zinc/02/77/29/1017027729.db2.gz BRQVNAWYPYEXKC-NSHDSACASA-N -1 0 300.340 -0.375 20 0 DBADRM O=C(CCCF)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001440506971 1006169224 /nfs/dbraw/zinc/16/92/24/1006169224.db2.gz SFXNUFXQQDEFKD-SECBINFHSA-N -1 0 313.333 -0.281 20 0 DBADRM Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)NCCC(=O)[O-] ZINC001594484581 1017028200 /nfs/dbraw/zinc/02/82/00/1017028200.db2.gz SEZVDIHJTMSODE-LLVKDONJSA-N -1 0 308.338 -0.017 20 0 DBADRM Cc1nn(C)cc1CCC(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001594484575 1017028673 /nfs/dbraw/zinc/02/86/73/1017028673.db2.gz RXVWTMNMPQFYTA-NSHDSACASA-N -1 0 309.322 -0.110 20 0 DBADRM Cc1nn(CCS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)o1 ZINC001594489457 1017028854 /nfs/dbraw/zinc/02/88/54/1017028854.db2.gz YIGNLKRHOPHHFJ-VIFPVBQESA-N -1 0 321.355 -0.437 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)[C@@H](C)CN1CCO ZINC001594489190 1017029151 /nfs/dbraw/zinc/02/91/51/1017029151.db2.gz NOYZRPPROLWZHF-ZJUUUORDSA-N -1 0 310.354 -0.355 20 0 DBADRM CC[C@@H](C)C(=O)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001440540484 1006184700 /nfs/dbraw/zinc/18/47/00/1006184700.db2.gz LXCJWVPSPRDTNI-QMTHXVAHSA-N -1 0 311.386 -0.001 20 0 DBADRM Cc1nn(CCS(=O)(=O)N([C@H](C)C(=O)[O-])C2CC2)c(=O)o1 ZINC001594489145 1017030139 /nfs/dbraw/zinc/03/01/39/1017030139.db2.gz SDIKJOUKJXFYPA-SSDOTTSWSA-N -1 0 319.339 -0.588 20 0 DBADRM C[C@H]1CN(CC(=O)NCCC(=O)[O-])C[C@]2(CCCOC2)O1 ZINC001594508695 1017031934 /nfs/dbraw/zinc/03/19/34/1017031934.db2.gz YOSJDUVDLOMDSO-FZMZJTMJSA-N -1 0 300.355 -0.153 20 0 DBADRM CC(C)[C@H](C(=O)N[C@@H](CO)C(=O)[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC001594500406 1017034323 /nfs/dbraw/zinc/03/43/23/1017034323.db2.gz JDZZDKMOQOFJFE-WISYIIOYSA-N -1 0 302.371 -0.318 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1occc1C(=O)[O-] ZINC001594499191 1017034660 /nfs/dbraw/zinc/03/46/60/1017034660.db2.gz LMIDPSFUSUKNJS-ZETCQYMHSA-N -1 0 302.308 -0.171 20 0 DBADRM CN(CCNC(=O)c1ccccc1O)C(=O)Cc1nnc[nH]1 ZINC001429171055 1006259068 /nfs/dbraw/zinc/25/90/68/1006259068.db2.gz VJEVPNQXUSINNS-UHFFFAOYSA-N -1 0 303.322 -0.059 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)CCCC(N)=O ZINC001440751506 1006289665 /nfs/dbraw/zinc/28/96/65/1006289665.db2.gz WRFLNFKWAGTRBE-JTQLQIEISA-N -1 0 324.385 -0.411 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2cc(=O)n(C)o2)c1[O-] ZINC001429218200 1006290574 /nfs/dbraw/zinc/29/05/74/1006290574.db2.gz IVIWDPJCAHXFCD-UHFFFAOYSA-N -1 0 323.309 -0.783 20 0 DBADRM Cc1c[nH]c(C(=O)N(C)CCNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001429218297 1006290709 /nfs/dbraw/zinc/29/07/09/1006290709.db2.gz KDYUBKBQWIGNBD-UHFFFAOYSA-N -1 0 306.326 -0.043 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)Cc2cc[nH]n2)c1[O-] ZINC001429217370 1006291123 /nfs/dbraw/zinc/29/11/23/1006291123.db2.gz GVCZKJKLXYNGDN-UHFFFAOYSA-N -1 0 306.326 -0.422 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)CCCS(C)(=O)=O ZINC001594516395 1017038906 /nfs/dbraw/zinc/03/89/06/1017038906.db2.gz WAJCFHYUHKIDSY-NSHDSACASA-N -1 0 320.411 -0.181 20 0 DBADRM COc1nc(C(=O)N(C)CCNC(=O)c2[nH]nc(C)c2[O-])co1 ZINC001429227055 1006300145 /nfs/dbraw/zinc/30/01/45/1006300145.db2.gz HNVSOSJWXZVWOW-UHFFFAOYSA-N -1 0 323.309 -0.078 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)NC1CC=CC1 ZINC001594514522 1017039411 /nfs/dbraw/zinc/03/94/11/1017039411.db2.gz YZERPZCNENYAHK-LLVKDONJSA-N -1 0 309.366 -0.171 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC001594515738 1017039785 /nfs/dbraw/zinc/03/97/85/1017039785.db2.gz QMHOCOGNOCXNRV-QWRGUYRKSA-N -1 0 318.395 -0.429 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC001440821390 1006320786 /nfs/dbraw/zinc/32/07/86/1006320786.db2.gz XFQLAUUBMXPLHN-UHFFFAOYSA-N -1 0 324.341 -0.951 20 0 DBADRM C[C@H]1CN(CCNS(=O)(=O)CC2(C(=O)[O-])CC2)CCO1 ZINC001594532116 1017041335 /nfs/dbraw/zinc/04/13/35/1017041335.db2.gz UDCDZLPINISBKE-JTQLQIEISA-N -1 0 306.384 -0.509 20 0 DBADRM C[C@@H]1CN(CCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)[C@H](C)CO1 ZINC001594526837 1017041912 /nfs/dbraw/zinc/04/19/12/1017041912.db2.gz FEGFTQPBOOMQBS-KKOKHZNYSA-N -1 0 300.355 -0.156 20 0 DBADRM C[C@@H]1CO[C@@H](C)CN1CCNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001594527954 1017042090 /nfs/dbraw/zinc/04/20/90/1017042090.db2.gz QFFPPMADUFFUJQ-MNOVXSKESA-N -1 0 310.354 -0.193 20 0 DBADRM C[C@@H]1CN(CCO)CCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001594532089 1017042725 /nfs/dbraw/zinc/04/27/25/1017042725.db2.gz TYDXGDGOAIHRCN-SNVBAGLBSA-N -1 0 306.384 -0.821 20 0 DBADRM Cc1c(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)nnn1C ZINC001440900799 1006347558 /nfs/dbraw/zinc/34/75/58/1006347558.db2.gz FRUQHRRGIPLUJT-SSDOTTSWSA-N -1 0 308.346 -0.802 20 0 DBADRM C[C@H](CNC(=O)C[C@H]1COC(=O)C1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440911701 1006353918 /nfs/dbraw/zinc/35/39/18/1006353918.db2.gz HHZYNOSQMYRCNJ-RKDXNWHRSA-N -1 0 311.342 -0.600 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C[C@@H]1CCS(=O)(=O)C1 ZINC001594521913 1017044515 /nfs/dbraw/zinc/04/45/15/1017044515.db2.gz LLGWDROHDUTLFE-RYUDHWBXSA-N -1 0 304.412 -0.098 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC(=O)N1C ZINC001594557170 1017045226 /nfs/dbraw/zinc/04/52/26/1017045226.db2.gz SXNGKDWMTYZGFL-MRVPVSSYSA-N -1 0 313.335 -0.369 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C[C@@H](C)O1 ZINC001594555113 1017045553 /nfs/dbraw/zinc/04/55/53/1017045553.db2.gz JSHGSMSHMZTWGQ-DOLQZWNJSA-N -1 0 308.356 -0.828 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC[S@@](=O)C1 ZINC001594554135 1017045931 /nfs/dbraw/zinc/04/59/31/1017045931.db2.gz KXKJKKQNVAZOBP-QOLSBQFWSA-N -1 0 321.380 -0.503 20 0 DBADRM C[C@@H]1COCC[C@H]1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001594604185 1017050177 /nfs/dbraw/zinc/05/01/77/1017050177.db2.gz OGHSMYDJJSIENT-VXGBXAGGSA-N -1 0 320.411 -0.167 20 0 DBADRM CC(C)[C@H]1C[C@@H]1C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429397356 1006385938 /nfs/dbraw/zinc/38/59/38/1006385938.db2.gz XAOOYORPXJOZIN-BDAKNGLRSA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC[S@](=O)C1 ZINC001594554136 1017046852 /nfs/dbraw/zinc/04/68/52/1017046852.db2.gz KXKJKKQNVAZOBP-XJZHNMMOSA-N -1 0 321.380 -0.503 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)[C@H](C)CN1C ZINC001594560915 1017046886 /nfs/dbraw/zinc/04/68/86/1017046886.db2.gz FERKWFBYKDWJHR-NXEZZACHSA-N -1 0 316.383 -0.319 20 0 DBADRM C[C@H]1CN=C(N2CCN(C(=O)COCC(=O)[O-])CC2)S1 ZINC001594585117 1017046958 /nfs/dbraw/zinc/04/69/58/1017046958.db2.gz UGOIELMLVVKRKF-VIFPVBQESA-N -1 0 301.368 -0.277 20 0 DBADRM Cc1oncc1CN(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001440956577 1006389612 /nfs/dbraw/zinc/38/96/12/1006389612.db2.gz OMBPJLKISVOLNF-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C[C@H](CO)O1 ZINC001594551278 1017048196 /nfs/dbraw/zinc/04/81/96/1017048196.db2.gz YXZIUJLAKOFATD-NXEZZACHSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H](C)CN1C ZINC001594554362 1017048244 /nfs/dbraw/zinc/04/82/44/1017048244.db2.gz ADRQPEWRYRRRSX-YUMQZZPRSA-N -1 0 302.356 -0.179 20 0 DBADRM C[C@H]1COCC[C@@H]1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001594604183 1017048842 /nfs/dbraw/zinc/04/88/42/1017048842.db2.gz OGHSMYDJJSIENT-RYUDHWBXSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001594597923 1017049668 /nfs/dbraw/zinc/04/96/68/1017049668.db2.gz GXUKYBQFNQKCPH-RQJHMYQMSA-N -1 0 322.364 -0.388 20 0 DBADRM C[C@@H]1CO[C@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)C1 ZINC001594587833 1017049877 /nfs/dbraw/zinc/04/98/77/1017049877.db2.gz SINZFRJYHHTEIG-PHGLEFOZSA-N -1 0 305.352 -0.585 20 0 DBADRM C[C@@H]1COCC[C@@H]1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001594597291 1017049993 /nfs/dbraw/zinc/04/99/93/1017049993.db2.gz QFGQBENTLPDXOG-ZJUUUORDSA-N -1 0 308.338 -0.203 20 0 DBADRM C[C@@H]1COC[C@H]1NC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001594594115 1017050078 /nfs/dbraw/zinc/05/00/78/1017050078.db2.gz ZJGMLFHAHLMRSS-OUAUKWLOSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@@H]1COCC[C@H]1CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001594598639 1017050095 /nfs/dbraw/zinc/05/00/95/1017050095.db2.gz YAPMMHDPDYOSND-BDAKNGLRSA-N -1 0 324.337 -0.154 20 0 DBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001594630899 1017054124 /nfs/dbraw/zinc/05/41/24/1017054124.db2.gz CRLUHPKRRQZJRR-JLIMGVALSA-N -1 0 300.311 -0.131 20 0 DBADRM C[C@H]1CS(=O)(=O)CCCN1S(=O)(=O)CCCC(=O)[O-] ZINC001594610779 1017054223 /nfs/dbraw/zinc/05/42/23/1017054223.db2.gz ULRNGKPGKBBOLN-VIFPVBQESA-N -1 0 313.397 -0.310 20 0 DBADRM Cc1[nH]ccc1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001441031889 1006434257 /nfs/dbraw/zinc/43/42/57/1006434257.db2.gz XEIRNMCVECAJIC-UHFFFAOYSA-N -1 0 320.353 -0.486 20 0 DBADRM C[C@H]1Oc2c(cccc2C(=O)N2CC(O)(C(=O)[O-])C2)NC1=O ZINC001594651172 1017055201 /nfs/dbraw/zinc/05/52/01/1017055201.db2.gz OQDQDPFQCYONLH-SSDOTTSWSA-N -1 0 306.274 -0.323 20 0 DBADRM Cc1nc([C@@H](C)N2CC(CCO)(NC(=O)c3cn[nH]n3)C2)no1 ZINC001441042184 1006442637 /nfs/dbraw/zinc/44/26/37/1006442637.db2.gz GYJAEJXLVUAJEG-MRVPVSSYSA-N -1 0 321.341 -0.576 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)[C@H]2CCO[C@H]2C)CC1 ZINC001594649429 1017055797 /nfs/dbraw/zinc/05/57/97/1017055797.db2.gz WGJGRBDDIBXQHN-SRVKXCTJSA-N -1 0 320.411 -0.026 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594639690 1017056130 /nfs/dbraw/zinc/05/61/30/1017056130.db2.gz JBOXGSJGXLPOID-XLKFXECMSA-N -1 0 323.305 -0.626 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001594640267 1017056257 /nfs/dbraw/zinc/05/62/57/1017056257.db2.gz NRRVTQQANCAEHH-YMTOWFKASA-N -1 0 310.306 -0.797 20 0 DBADRM C[C@H]1OCC[C@H]1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594641964 1017056355 /nfs/dbraw/zinc/05/63/55/1017056355.db2.gz FJAGETCHHNVNCC-RKDXNWHRSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCCS(=O)(=O)C[C@@H]2C)O[C@H]1C(=O)[O-] ZINC001594610304 1017051694 /nfs/dbraw/zinc/05/16/94/1017051694.db2.gz OGPLYFSSUPDZGV-LMLFDSFASA-N -1 0 319.379 -0.100 20 0 DBADRM Cc1ccnn1CC(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001496795839 1017052040 /nfs/dbraw/zinc/05/20/40/1017052040.db2.gz MSWGULNWNAJUOB-UHFFFAOYSA-N -1 0 307.358 -0.394 20 0 DBADRM C/C=C/C[C@H](CO)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001594682588 1017057162 /nfs/dbraw/zinc/05/71/62/1017057162.db2.gz AOOWYFUDYOFEQX-GKQMSVHHSA-N -1 0 303.340 -0.427 20 0 DBADRM C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001594658644 1017057389 /nfs/dbraw/zinc/05/73/89/1017057389.db2.gz OLSFQXSUHRUOTE-XKNYDFJKSA-N -1 0 316.379 -0.709 20 0 DBADRM CCC(=O)N1CC[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001594700572 1017057403 /nfs/dbraw/zinc/05/74/03/1017057403.db2.gz XMAIELTUNGRLNQ-SSDOTTSWSA-N -1 0 316.339 -0.603 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N[C@H](Cn2cncn2)C(=O)[O-])C1 ZINC001594695634 1017057530 /nfs/dbraw/zinc/05/75/30/1017057530.db2.gz MRLMYILJJAWZEC-NXEZZACHSA-N -1 0 309.326 -0.894 20 0 DBADRM C/C=C\C[C@H](CO)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001594682592 1017057945 /nfs/dbraw/zinc/05/79/45/1017057945.db2.gz AOOWYFUDYOFEQX-PKRMOACSSA-N -1 0 303.340 -0.427 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])C1 ZINC001594695670 1017058425 /nfs/dbraw/zinc/05/84/25/1017058425.db2.gz MRLMYILJJAWZEC-UWVGGRQHSA-N -1 0 309.326 -0.894 20 0 DBADRM CCC(=O)N1CC[C@@H](NS(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001594700503 1017058688 /nfs/dbraw/zinc/05/86/88/1017058688.db2.gz WKVQSBHAGGBVKT-SECBINFHSA-N -1 0 304.368 -0.076 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC001594741138 1017063201 /nfs/dbraw/zinc/06/32/01/1017063201.db2.gz VJPDFRCRBCHIJW-JTQLQIEISA-N -1 0 306.384 -0.115 20 0 DBADRM CCC(=O)N(C)CCN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001594696641 1017059227 /nfs/dbraw/zinc/05/92/27/1017059227.db2.gz UJVOFSGNNHRIRL-VXGBXAGGSA-N -1 0 311.382 -0.280 20 0 DBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001594718830 1017059660 /nfs/dbraw/zinc/05/96/60/1017059660.db2.gz KZCXPJILXLZEQF-QWRGUYRKSA-N -1 0 312.347 -0.372 20 0 DBADRM CCC(=O)NCC(=O)NC[C@@H](CC)Nc1ccnc(C(=O)[O-])n1 ZINC001594708298 1017059800 /nfs/dbraw/zinc/05/98/00/1017059800.db2.gz SCMGALKPQDLWQC-SECBINFHSA-N -1 0 323.353 -0.570 20 0 DBADRM CCC(=O)NCC(=O)N(C)C[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001594707167 1017059981 /nfs/dbraw/zinc/05/99/81/1017059981.db2.gz DTUMIZIATISFCC-VIFPVBQESA-N -1 0 323.353 -0.040 20 0 DBADRM CCC(=O)N1CCN(CCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001594705450 1017060059 /nfs/dbraw/zinc/06/00/59/1017060059.db2.gz FZIYQQYIIAJRPE-NWDGAFQWSA-N -1 0 311.382 -0.232 20 0 DBADRM Cn1cnnc1[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001441238825 1006533403 /nfs/dbraw/zinc/53/34/03/1006533403.db2.gz NWPZBRZAKNYIMU-ZETCQYMHSA-N -1 0 305.298 -0.569 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001594718827 1017060632 /nfs/dbraw/zinc/06/06/32/1017060632.db2.gz KZCXPJILXLZEQF-GHMZBOCLSA-N -1 0 312.347 -0.372 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N(CCC(=O)[O-])CC(OC)OC ZINC001594706383 1017060790 /nfs/dbraw/zinc/06/07/90/1017060790.db2.gz OXAYTZFYTFAGRI-VIFPVBQESA-N -1 0 304.343 -0.177 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001594705538 1017060813 /nfs/dbraw/zinc/06/08/13/1017060813.db2.gz HPVVWHFDSJPGAZ-HRDYMLBCSA-N -1 0 302.352 -0.656 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)CCCc1nnn[n-]1 ZINC001441256797 1006545202 /nfs/dbraw/zinc/54/52/02/1006545202.db2.gz RSAPJUCFOYTAFM-UHFFFAOYSA-N -1 0 318.403 -0.644 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001594706546 1017061652 /nfs/dbraw/zinc/06/16/52/1017061652.db2.gz RFKRIGVFSLSERU-OPRDCNLKSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C(=O)OC ZINC001594733539 1017062425 /nfs/dbraw/zinc/06/24/25/1017062425.db2.gz CISQWLAEPIOZMU-UWVGGRQHSA-N -1 0 316.354 -0.083 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC001594762679 1017062752 /nfs/dbraw/zinc/06/27/52/1017062752.db2.gz ZZYBXVKFQBQHJE-SECBINFHSA-N -1 0 309.326 -0.042 20 0 DBADRM CC[C@H](C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)N(C)C ZINC001594734219 1017062916 /nfs/dbraw/zinc/06/29/16/1017062916.db2.gz QAOKIQZBYRGQGD-VDDIYKPWSA-N -1 0 306.384 -0.669 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 ZINC001594742922 1017062977 /nfs/dbraw/zinc/06/29/77/1017062977.db2.gz JAUDRMLEGUTNKZ-UWVGGRQHSA-N -1 0 306.384 -0.115 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001594853737 1017067640 /nfs/dbraw/zinc/06/76/40/1017067640.db2.gz JKVLCPJTEDKTAS-SNVBAGLBSA-N -1 0 305.312 -0.983 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)CN1CCOCC1)C(=O)[O-] ZINC001594898618 1017069824 /nfs/dbraw/zinc/06/98/24/1017069824.db2.gz YOGWSFRJZSCAGA-GXFFZTMASA-N -1 0 316.354 -0.523 20 0 DBADRM CC[C@H](C(=O)N(CC(=O)[O-])CC(=O)OC)N1CCCC1=O ZINC001594725005 1017063719 /nfs/dbraw/zinc/06/37/19/1017063719.db2.gz ICLHJQBKYMDJGI-SECBINFHSA-N -1 0 300.311 -0.526 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001429916240 1006617145 /nfs/dbraw/zinc/61/71/45/1006617145.db2.gz OTQQHVQDTZUFQX-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001429916237 1006617166 /nfs/dbraw/zinc/61/71/66/1006617166.db2.gz OTQQHVQDTZUFQX-APPZFPTMSA-N -1 0 321.337 -0.340 20 0 DBADRM CC[C@@H](C(=O)[O-])n1cc(CN2CCS(=O)(=O)CC2)nn1 ZINC001594774979 1017066187 /nfs/dbraw/zinc/06/61/87/1017066187.db2.gz JZDGRFFTONSTRH-JTQLQIEISA-N -1 0 302.356 -0.456 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN[C@@]1(C(=O)[O-])CCOC1)C(=O)OC ZINC001594898448 1017069973 /nfs/dbraw/zinc/06/99/73/1017069973.db2.gz XGQIIEKGWPFFAZ-PXWWUCIGSA-N -1 0 316.354 -0.476 20 0 DBADRM CC[C@H](C(=O)OC)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001594774045 1017066537 /nfs/dbraw/zinc/06/65/37/1017066537.db2.gz DUIAIAIABORLQV-RISCZKNCSA-N -1 0 300.355 -0.201 20 0 DBADRM CCC(C)(C)NC(=O)CN1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001594806057 1017066595 /nfs/dbraw/zinc/06/65/95/1017066595.db2.gz PDEDDVIUDYNCTC-QWRGUYRKSA-N -1 0 311.382 -0.188 20 0 DBADRM CC[C@@H](C(=O)OC)C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001594774520 1017066875 /nfs/dbraw/zinc/06/68/75/1017066875.db2.gz GWEBLOIGFVCVGN-IUCAKERBSA-N -1 0 301.295 -0.196 20 0 DBADRM C[C@@H]1C[C@@H]1CC(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001430406385 1006844222 /nfs/dbraw/zinc/84/42/22/1006844222.db2.gz PGPFIKIPTKPIAF-PSASIEDQSA-N -1 0 323.353 -0.690 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H](F)c1ccccc1 ZINC001441754183 1006854366 /nfs/dbraw/zinc/85/43/66/1006854366.db2.gz IZQZMESRLOWJOT-PWSUYJOCSA-N -1 0 323.328 -0.212 20 0 DBADRM C[C@H](Cc1ccco1)C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001441759328 1006857751 /nfs/dbraw/zinc/85/77/51/1006857751.db2.gz WCVGBSYALSJBAK-ZJUUUORDSA-N -1 0 323.353 -0.451 20 0 DBADRM O=C(CCc1nnn[n-]1)Nc1cnn(CC(=O)NC2CC2)c1 ZINC001441764691 1006863430 /nfs/dbraw/zinc/86/34/30/1006863430.db2.gz HVMXRLZFGYGUGV-UHFFFAOYSA-N -1 0 304.314 -0.754 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)C2=COCCO2)c1[O-] ZINC001430480628 1006870674 /nfs/dbraw/zinc/87/06/74/1006870674.db2.gz LFAXLOSNOHPYGB-ZETCQYMHSA-N -1 0 310.310 -0.454 20 0 DBADRM CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001598119349 1017233400 /nfs/dbraw/zinc/23/34/00/1017233400.db2.gz OORODWLWHHMDID-VIFPVBQESA-N -1 0 310.335 -0.222 20 0 DBADRM CN(C(=O)c1cnsn1)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001598097274 1017233557 /nfs/dbraw/zinc/23/35/57/1017233557.db2.gz BMYKPZBKHJOABQ-HTQZYQBOSA-N -1 0 310.335 -0.458 20 0 DBADRM CN(C(C)(C)C(N)=O)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598106589 1017234116 /nfs/dbraw/zinc/23/41/16/1017234116.db2.gz NJMUSCFJTPASEY-UHFFFAOYSA-N -1 0 301.324 -0.336 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NC2CC(C(=O)[O-])C2)O1 ZINC001598118810 1017234503 /nfs/dbraw/zinc/23/45/03/1017234503.db2.gz ONMATVUTJKNDQZ-JPPWEJMLSA-N -1 0 313.354 -0.215 20 0 DBADRM CN(C)C(=O)[C@H]1CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001598118454 1017234645 /nfs/dbraw/zinc/23/46/45/1017234645.db2.gz GXEJBELWAKGOGJ-OUAUKWLOSA-N -1 0 313.354 -0.404 20 0 DBADRM CN(C)C(=O)CN1CCCN(c2ncncc2C(=O)[O-])CC1 ZINC001598129900 1017235522 /nfs/dbraw/zinc/23/55/22/1017235522.db2.gz FSTYCYANRPMKKD-UHFFFAOYSA-N -1 0 307.354 -0.225 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)Nc2ccc(C(=O)[O-])nn2)C1 ZINC001598130710 1017235798 /nfs/dbraw/zinc/23/57/98/1017235798.db2.gz LPEDHNUIGPNZMO-UHFFFAOYSA-N -1 0 323.309 -0.504 20 0 DBADRM CN(C)C(=O)CN1CCN(C[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1 ZINC001598129934 1017236581 /nfs/dbraw/zinc/23/65/81/1017236581.db2.gz HWZARHYSQMILCT-ONGXEEELSA-N -1 0 305.325 -0.342 20 0 DBADRM CN(C)C(=O)CCOC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598127052 1017236667 /nfs/dbraw/zinc/23/66/67/1017236667.db2.gz YKJKEWXXKNUSHY-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001598138750 1017239206 /nfs/dbraw/zinc/23/92/06/1017239206.db2.gz HURBDFXWODSNNN-IUCAKERBSA-N -1 0 304.322 -0.194 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)nn1 ZINC001598133983 1017239425 /nfs/dbraw/zinc/23/94/25/1017239425.db2.gz HMIIYKAHLMIDTP-AWEZNQCLSA-N -1 0 323.353 -0.261 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)NC[C@H](F)C(=O)[O-])n1 ZINC001598135544 1017239569 /nfs/dbraw/zinc/23/95/69/1017239569.db2.gz TUAKRGFYKBZEKC-ZETCQYMHSA-N -1 0 301.278 -0.485 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598151377 1017239685 /nfs/dbraw/zinc/23/96/85/1017239685.db2.gz GGZNVQNMLRZAOP-VIFPVBQESA-N -1 0 304.368 -0.266 20 0 DBADRM CN(C)C(=O)c1cc(N2CCC[C@H]2C(=O)NCC(=O)[O-])ccn1 ZINC001598151696 1017239754 /nfs/dbraw/zinc/23/97/54/1017239754.db2.gz ZSDDMYJWFDILCV-LBPRGKRZSA-N -1 0 320.349 -0.047 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(CN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC001598138645 1017239825 /nfs/dbraw/zinc/23/98/25/1017239825.db2.gz CKYBGLWKAWELBN-MNOVXSKESA-N -1 0 312.370 -0.435 20 0 DBADRM CN(C)C(=O)OC[C@@H]1CCCCN1CC(=O)NCC(=O)[O-] ZINC001598146681 1017239897 /nfs/dbraw/zinc/23/98/97/1017239897.db2.gz UPHRMEDKQOLTTF-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@@H]2CCC(=O)NC2)ccc1[O-] ZINC001598161004 1017241569 /nfs/dbraw/zinc/24/15/69/1017241569.db2.gz PMEGPNQSMBUQNQ-SSDOTTSWSA-N -1 0 313.335 -0.496 20 0 DBADRM CN(C)[C@H](C(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1)c1cncn1C ZINC001598163641 1017242548 /nfs/dbraw/zinc/24/25/48/1017242548.db2.gz WHVPEUKYVNSHNC-GVXVVHGQSA-N -1 0 324.381 -0.124 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)Cc2ccon2)C1 ZINC001597998718 1017226514 /nfs/dbraw/zinc/22/65/14/1017226514.db2.gz SLKCHLADLQUICW-GHMZBOCLSA-N -1 0 307.306 -0.393 20 0 DBADRM CN(C(=O)[C@H](O)c1cnn(C)c1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001597991731 1017226564 /nfs/dbraw/zinc/22/65/64/1017226564.db2.gz UWQFNNMSWGUDHL-NWDGAFQWSA-N -1 0 311.338 -0.066 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)Cc2cnoc2)C1 ZINC001597998194 1017226577 /nfs/dbraw/zinc/22/65/77/1017226577.db2.gz IMRKRGDAUFJJGG-QWRGUYRKSA-N -1 0 307.306 -0.393 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2ncccn2)C1 ZINC001597997738 1017226622 /nfs/dbraw/zinc/22/66/22/1017226622.db2.gz AICGEHFLEGIBTQ-ZJUUUORDSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001597997770 1017226668 /nfs/dbraw/zinc/22/66/68/1017226668.db2.gz AYXMXOOQQBWRJS-IUCAKERBSA-N -1 0 320.305 -0.814 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001597998424 1017226731 /nfs/dbraw/zinc/22/67/31/1017226731.db2.gz MGGYJGUWZOPWNV-MNOVXSKESA-N -1 0 319.317 -0.209 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)Cc2ccc[nH]2)C1 ZINC001597998317 1017226767 /nfs/dbraw/zinc/22/67/67/1017226767.db2.gz KTFWVJIQDWRPEL-NWDGAFQWSA-N -1 0 305.334 -0.053 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cnn(C)c2N)C1 ZINC001597998392 1017226944 /nfs/dbraw/zinc/22/69/44/1017226944.db2.gz LWJGZQOJCQCNFW-BDAKNGLRSA-N -1 0 321.337 -0.994 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cnccn2)C1 ZINC001597998268 1017227033 /nfs/dbraw/zinc/22/70/33/1017227033.db2.gz JXGFXHYSYNYQAW-ZJUUUORDSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)COCc1ocnc1C(=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC001598031812 1017228390 /nfs/dbraw/zinc/22/83/90/1017228390.db2.gz ZYUXXGWDYKSDSF-OCAPTIKFSA-N -1 0 311.294 -0.388 20 0 DBADRM CN(C(=O)CN1C[C@H](CO)[C@H](CO)C1)c1ccccc1C(=O)[O-] ZINC001598023511 1017229574 /nfs/dbraw/zinc/22/95/74/1017229574.db2.gz XKFGIGRQARZOTQ-TXEJJXNPSA-N -1 0 322.361 -0.120 20 0 DBADRM CN(C(=O)Cn1nc2n(c1=O)CCCC2)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598042140 1017231972 /nfs/dbraw/zinc/23/19/72/1017231972.db2.gz NYNLEVGKQCWEPQ-AOOOYVTPSA-N -1 0 308.338 -0.297 20 0 DBADRM CN(C(=O)N[C@H]1CCc2nnnn2CC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598049508 1017231987 /nfs/dbraw/zinc/23/19/87/1017231987.db2.gz RPFYUNNZQRZSAZ-LPEHRKFASA-N -1 0 308.342 -0.117 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001598072572 1017232066 /nfs/dbraw/zinc/23/20/66/1017232066.db2.gz MOSSKXRGCYQGIX-AEJSXWLSSA-N -1 0 304.368 -0.411 20 0 DBADRM CN(C(=O)c1cc(C(=O)[O-])ccn1)N1CCS(=O)(=O)CC1 ZINC001598078957 1017232311 /nfs/dbraw/zinc/23/23/11/1017232311.db2.gz FYQSCXJQXYBYMZ-UHFFFAOYSA-N -1 0 313.335 -0.503 20 0 DBADRM CN(C(=O)c1cn(C)c(=O)[nH]1)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598096348 1017233090 /nfs/dbraw/zinc/23/30/90/1017233090.db2.gz NWXSTLATVNFAOQ-IUCAKERBSA-N -1 0 322.321 -0.871 20 0 DBADRM COCC(=O)NCC[C@@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001430934597 1007073621 /nfs/dbraw/zinc/07/36/21/1007073621.db2.gz KRDBXJPSNZSAKB-SECBINFHSA-N -1 0 321.337 -0.706 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)c1ccon1 ZINC001442053170 1007151848 /nfs/dbraw/zinc/15/18/48/1007151848.db2.gz UURAYFPDPRLQBQ-QMMMGPOBSA-N -1 0 310.314 -0.937 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001431124400 1007196343 /nfs/dbraw/zinc/19/63/43/1007196343.db2.gz AUJQKYOUUAQPFC-UWVGGRQHSA-N -1 0 317.349 -0.133 20 0 DBADRM CN(CCNC(=O)c1ccoc1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001431134114 1007203613 /nfs/dbraw/zinc/20/36/13/1007203613.db2.gz NHHONGNBEYSJJZ-UHFFFAOYSA-N -1 0 309.282 -0.829 20 0 DBADRM Cc1[nH]ccc1C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001431183976 1007247045 /nfs/dbraw/zinc/24/70/45/1007247045.db2.gz MURWITSBIJITTA-UHFFFAOYSA-N -1 0 322.325 -0.786 20 0 DBADRM CN(CCN(C)C(=O)C1CC1)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001431310334 1007340344 /nfs/dbraw/zinc/34/03/44/1007340344.db2.gz VOQNCZKWOZBZTF-UHFFFAOYSA-N -1 0 323.353 -0.458 20 0 DBADRM Cc1nnc(CC(=O)N(C)CCNC(=O)c2cnc[nH]c2=O)o1 ZINC001431321985 1007349542 /nfs/dbraw/zinc/34/95/42/1007349542.db2.gz IQYBBOUMUAENRP-UHFFFAOYSA-N -1 0 320.309 -0.695 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC001431339977 1007360350 /nfs/dbraw/zinc/36/03/50/1007360350.db2.gz WFOMLSRFJXRBTA-SECBINFHSA-N -1 0 323.353 -0.767 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCNc1cnccn1 ZINC001442336457 1007362748 /nfs/dbraw/zinc/36/27/48/1007362748.db2.gz NPXGISSDIPPADP-UHFFFAOYSA-N -1 0 307.314 -0.512 20 0 DBADRM CC[C@@]1(C)C[C@@H]1C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431398584 1007396579 /nfs/dbraw/zinc/39/65/79/1007396579.db2.gz WWOFYYYSZUTEBW-CLAHSXSESA-N -1 0 323.353 -0.093 20 0 DBADRM CC(C)[C@H](C)C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001431410957 1007401445 /nfs/dbraw/zinc/40/14/45/1007401445.db2.gz IIPCQQBDTHMCFK-VIFPVBQESA-N -1 0 313.358 -0.444 20 0 DBADRM CN(CCNC(=O)CCCF)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431437479 1007419104 /nfs/dbraw/zinc/41/91/04/1007419104.db2.gz KVVLZQWJRIGKRH-UHFFFAOYSA-N -1 0 301.278 -0.779 20 0 DBADRM CN(CCNC(=O)c1cn(C(C)(C)C)nn1)Cc1n[nH]c(=O)[n-]1 ZINC001442422994 1007427493 /nfs/dbraw/zinc/42/74/93/1007427493.db2.gz NNHONDFXOWZVMQ-UHFFFAOYSA-N -1 0 322.373 -0.281 20 0 DBADRM COc1cnc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)c(F)c1 ZINC001442424485 1007434720 /nfs/dbraw/zinc/43/47/20/1007434720.db2.gz OJVWJNKCIKIHSK-UHFFFAOYSA-N -1 0 324.316 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC23CC3)c1[O-] ZINC001431511433 1007553593 /nfs/dbraw/zinc/55/35/93/1007553593.db2.gz IWADBFPFQWSEAX-RKDXNWHRSA-N -1 0 308.338 -0.569 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C2CC2)c1[O-] ZINC001431517100 1007566900 /nfs/dbraw/zinc/56/69/00/1007566900.db2.gz LCWZEDQJADFDOE-XCBNKYQSSA-N -1 0 310.354 -0.323 20 0 DBADRM CCN(CCNC(=O)[C@@H](C)n1cccn1)Cc1n[nH]c(=O)[n-]1 ZINC001442638330 1007592363 /nfs/dbraw/zinc/59/23/63/1007592363.db2.gz OAJKROOOSQDZBB-SNVBAGLBSA-N -1 0 307.358 -0.094 20 0 DBADRM O=C(CCc1nnn[n-]1)NCCNS(=O)(=O)c1ccccc1 ZINC001442641897 1007593074 /nfs/dbraw/zinc/59/30/74/1007593074.db2.gz ZGHDMRAYIOPUKR-UHFFFAOYSA-N -1 0 324.366 -0.773 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)c2cn(C)nn2)c1[O-] ZINC001442742516 1007641592 /nfs/dbraw/zinc/64/15/92/1007641592.db2.gz QZOGCVJUZTXUFG-SSDOTTSWSA-N -1 0 321.341 -0.557 20 0 DBADRM O=C(Cc1cc[nH]n1)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001442855778 1007685997 /nfs/dbraw/zinc/68/59/97/1007685997.db2.gz SEUVFHRZARMREM-VIFPVBQESA-N -1 0 305.342 -0.586 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C(C)(C)C ZINC001431727592 1007689537 /nfs/dbraw/zinc/68/95/37/1007689537.db2.gz QKBCACMEUWHQGE-MRVPVSSYSA-N -1 0 310.354 -0.234 20 0 DBADRM C[NH+](C)CCN(CC(=O)[O-])C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001598224638 1017246343 /nfs/dbraw/zinc/24/63/43/1017246343.db2.gz RIPFJQWMWJSJQB-WDEREUQCSA-N -1 0 316.354 -0.269 20 0 DBADRM O=C(Cc1c[nH]cn1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001442898042 1007704261 /nfs/dbraw/zinc/70/42/61/1007704261.db2.gz QSZYOEMDAPVTLC-SECBINFHSA-N -1 0 305.342 -0.586 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H](C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001442895147 1007704671 /nfs/dbraw/zinc/70/46/71/1007704671.db2.gz PKQLGZHGRRHBDB-YUMQZZPRSA-N -1 0 317.321 -0.600 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001598260234 1017249161 /nfs/dbraw/zinc/24/91/61/1017249161.db2.gz ZNSYKFJYIJJXMX-RGOKHQFPSA-N -1 0 304.368 -0.507 20 0 DBADRM CN(C)S(=O)(=O)Cc1noc([C@H]2CC[C@@H](C(=O)[O-])O2)n1 ZINC001598262913 1017251591 /nfs/dbraw/zinc/25/15/91/1017251591.db2.gz YCYZSCUSUBIFAA-RQJHMYQMSA-N -1 0 305.312 -0.234 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H]2C(=O)[O-])n(C)c1 ZINC001598269677 1017251608 /nfs/dbraw/zinc/25/16/08/1017251608.db2.gz FOPHALZXNDDOEO-VIFPVBQESA-N -1 0 315.351 -0.426 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001598267279 1017251830 /nfs/dbraw/zinc/25/18/30/1017251830.db2.gz OBDOTQMHYBOUPC-SKDRFNHKSA-N -1 0 319.383 -0.762 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001598266911 1017252523 /nfs/dbraw/zinc/25/25/23/1017252523.db2.gz KTZMCVAFSHTOLJ-NXEZZACHSA-N -1 0 321.399 -0.610 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC001598266916 1017252640 /nfs/dbraw/zinc/25/26/40/1017252640.db2.gz KUEVFTAJLBXNPN-BDAKNGLRSA-N -1 0 315.351 -0.142 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001598266912 1017252978 /nfs/dbraw/zinc/25/29/78/1017252978.db2.gz KTZMCVAFSHTOLJ-UWVGGRQHSA-N -1 0 321.399 -0.610 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598281862 1017253802 /nfs/dbraw/zinc/25/38/02/1017253802.db2.gz CEINZSRXOSPEOE-DTORHVGOSA-N -1 0 302.356 -0.510 20 0 DBADRM CN(C)c1ccc(C(=O)NCCC(=O)NCCC(=O)[O-])cn1 ZINC001598312840 1017254036 /nfs/dbraw/zinc/25/40/36/1017254036.db2.gz VGSRQBQKCINJKW-UHFFFAOYSA-N -1 0 308.338 -0.142 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001598284071 1017254075 /nfs/dbraw/zinc/25/40/75/1017254075.db2.gz YFNCZIGCMFODDU-DOFRZMOGSA-N -1 0 323.343 -0.496 20 0 DBADRM CCNC(=O)CN(CCNC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001442997441 1007753499 /nfs/dbraw/zinc/75/34/99/1007753499.db2.gz JRZBLJOYKLGGMG-UHFFFAOYSA-N -1 0 309.370 -0.246 20 0 DBADRM CNC(=O)[C@H](C)N(CCNC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001443001560 1007755303 /nfs/dbraw/zinc/75/53/03/1007755303.db2.gz XRLLWBALZHDQNI-VIFPVBQESA-N -1 0 309.370 -0.248 20 0 DBADRM CC(=O)N[C@H](C)C1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001443172432 1007803764 /nfs/dbraw/zinc/80/37/64/1007803764.db2.gz SZQAMQNTTTUTPT-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3ccnn3C)CC2)c1[O-] ZINC001432151537 1007827085 /nfs/dbraw/zinc/82/70/85/1007827085.db2.gz KUJWRXGKIPASTC-UHFFFAOYSA-N -1 0 318.337 -0.150 20 0 DBADRM O=C(C[C@@H]1CS(=O)(=O)c2ccccc2O1)NCc1nnn[n-]1 ZINC001443338107 1007835652 /nfs/dbraw/zinc/83/56/52/1007835652.db2.gz RDUSFFYNNTZYND-MRVPVSSYSA-N -1 0 323.334 -0.559 20 0 DBADRM COC[C@@H](OC)C(=O)NC1(CNC(=O)c2cnc[nH]c2=O)CC1 ZINC001432198136 1007845316 /nfs/dbraw/zinc/84/53/16/1007845316.db2.gz IQOGQQUEDFVGGC-SNVBAGLBSA-N -1 0 324.337 -0.778 20 0 DBADRM O=C([C@@H]1CCc2nncn2CC1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001443452480 1007850760 /nfs/dbraw/zinc/85/07/60/1007850760.db2.gz QJSMFLPACYWSFF-ZJUUUORDSA-N -1 0 318.341 -0.656 20 0 DBADRM O=C(c1cnc2[nH]cnc2c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001443457826 1007851639 /nfs/dbraw/zinc/85/16/39/1007851639.db2.gz YPEWPURJTDVFOJ-VIFPVBQESA-N -1 0 300.282 -0.315 20 0 DBADRM C[C@H](Oc1ccccn1)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001443539633 1007872884 /nfs/dbraw/zinc/87/28/84/1007872884.db2.gz FGEHMFJZIDCCER-VIFPVBQESA-N -1 0 318.337 -0.327 20 0 DBADRM CCOCC(=O)NCC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001443555200 1007875483 /nfs/dbraw/zinc/87/54/83/1007875483.db2.gz IEHFRRQNILVVRT-UHFFFAOYSA-N -1 0 319.365 -0.393 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1c(=O)ccn(CC)c1=O)C(=O)[O-] ZINC001594908707 1017070121 /nfs/dbraw/zinc/07/01/21/1017070121.db2.gz JIQUNBKBABQXLP-CABZTGNLSA-N -1 0 311.338 -0.355 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)c1nccnc1N)C(=O)[O-] ZINC001594904466 1017070132 /nfs/dbraw/zinc/07/01/32/1017070132.db2.gz ZZRWNQSISJGGIR-IONNQARKSA-N -1 0 310.310 -0.169 20 0 DBADRM CCC(=O)N[C@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001443605537 1007888139 /nfs/dbraw/zinc/88/81/39/1007888139.db2.gz MUCVPIAKGWFUKJ-SECBINFHSA-N -1 0 313.358 -0.254 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC001594909432 1017070623 /nfs/dbraw/zinc/07/06/23/1017070623.db2.gz UIPQCQRVYOVMLP-LDYMZIIASA-N -1 0 307.310 -0.494 20 0 DBADRM CC[C@@H](C)[C@H](OC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)[O-] ZINC001594922761 1017071660 /nfs/dbraw/zinc/07/16/60/1017071660.db2.gz DPDZNJGPBBJGJE-SCZZXKLOSA-N -1 0 310.372 -0.233 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001594959837 1017071703 /nfs/dbraw/zinc/07/17/03/1017071703.db2.gz HFNFMTIWFDKGKP-VWYCJHECSA-N -1 0 317.363 -0.488 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cn3ccnn3)o2)CCO1 ZINC001594949068 1017072260 /nfs/dbraw/zinc/07/22/60/1017072260.db2.gz VCMPZJLGVBHZNT-NSHDSACASA-N -1 0 306.278 -0.155 20 0 DBADRM CC[C@@H](C)C[C@@H](NC(=O)C1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001594939932 1017072753 /nfs/dbraw/zinc/07/27/53/1017072753.db2.gz VYXMBGIGSTYPJE-PSASIEDQSA-N -1 0 306.384 -0.117 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1cc(C(=O)NC)ccc1=O)C(=O)[O-] ZINC001594910077 1017072910 /nfs/dbraw/zinc/07/29/10/1017072910.db2.gz YRJHNNOOMNNSKX-ZANVPECISA-N -1 0 323.349 -0.177 20 0 DBADRM CC[C@@H](C)C[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)[O-] ZINC001594938706 1017073025 /nfs/dbraw/zinc/07/30/25/1017073025.db2.gz ORSBFXQKMWQIEU-ZJUUUORDSA-N -1 0 323.415 -0.270 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)Cn2cccn2)c1[O-] ZINC001443731882 1007912070 /nfs/dbraw/zinc/91/20/70/1007912070.db2.gz SWXYGTRFRONTSY-VIFPVBQESA-N -1 0 320.353 -0.103 20 0 DBADRM CCC(CC)NC(=O)CN1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001595121490 1017073742 /nfs/dbraw/zinc/07/37/42/1017073742.db2.gz PIYOKRYXBOSQDX-RYUDHWBXSA-N -1 0 311.382 -0.188 20 0 DBADRM O=C([O-])CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C1CCOCC1 ZINC001595055395 1017073987 /nfs/dbraw/zinc/07/39/87/1017073987.db2.gz CMWNLHFZDIDHHS-VIFPVBQESA-N -1 0 313.310 -0.933 20 0 DBADRM CCC(CC)NC(=O)CN1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001595121488 1017074513 /nfs/dbraw/zinc/07/45/13/1017074513.db2.gz PIYOKRYXBOSQDX-NEPJUHHUSA-N -1 0 311.382 -0.188 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1CC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001443754760 1007919331 /nfs/dbraw/zinc/91/93/31/1007919331.db2.gz FGOXDQWFFFGNGR-YUMQZZPRSA-N -1 0 323.353 -0.094 20 0 DBADRM CC[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC001595147162 1017076461 /nfs/dbraw/zinc/07/64/61/1017076461.db2.gz NIIFBBDBQDQRMJ-UWVGGRQHSA-N -1 0 301.343 -0.245 20 0 DBADRM CC[C@@](COC)(NC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)[O-] ZINC001595187482 1017077474 /nfs/dbraw/zinc/07/74/74/1017077474.db2.gz CEUUZKBZYZLVGP-LBPRGKRZSA-N -1 0 324.399 -0.300 20 0 DBADRM O=C(CCCF)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001432462370 1007943169 /nfs/dbraw/zinc/94/31/69/1007943169.db2.gz NMEXHEMLJHECHX-UHFFFAOYSA-N -1 0 313.289 -0.779 20 0 DBADRM CC[C@@](COC)(NC(=O)Cn1ccc(C(=O)OC)n1)C(=O)[O-] ZINC001595189748 1017078023 /nfs/dbraw/zinc/07/80/23/1017078023.db2.gz WAHUSYZOHWZSMG-ZDUSSCGKSA-N -1 0 313.310 -0.334 20 0 DBADRM CC[C@](COC)(NC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)[O-] ZINC001595188876 1017078619 /nfs/dbraw/zinc/07/86/19/1017078619.db2.gz VKVCSEMGKISOSJ-JOYOIKCWSA-N -1 0 305.352 -0.069 20 0 DBADRM CC[C@@](COC)(NC(=O)CSc1nncn1C)C(=O)[O-] ZINC001595188255 1017078676 /nfs/dbraw/zinc/07/86/76/1017078676.db2.gz LZQDYWJWNSPCTO-NSHDSACASA-N -1 0 302.356 -0.097 20 0 DBADRM CC[C@@H](CO)C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-] ZINC001595176704 1017078851 /nfs/dbraw/zinc/07/88/51/1017078851.db2.gz XTWKIOFLVYGKCQ-LBPRGKRZSA-N -1 0 301.387 -0.835 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@]1(F)CCS(=O)(=O)C1)C(=O)[O-] ZINC001595187230 1017078947 /nfs/dbraw/zinc/07/89/47/1017078947.db2.gz JWKBHBQLYPAKQL-QWRGUYRKSA-N -1 0 311.331 -0.491 20 0 DBADRM CC[C@H](F)C(=O)N(C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001443944018 1007970914 /nfs/dbraw/zinc/97/09/14/1007970914.db2.gz DHLUQRMNBZBTTD-RQJHMYQMSA-N -1 0 315.305 -0.392 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1CC12CC2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001444040825 1007992500 /nfs/dbraw/zinc/99/25/00/1007992500.db2.gz CDNHFQBEXXFPSQ-HTQZYQBOSA-N -1 0 321.337 -0.340 20 0 DBADRM CC[C@H](CNC(=O)c1c[n-]n2c1nccc2=O)NC(=O)COC ZINC001432690681 1007995064 /nfs/dbraw/zinc/99/50/64/1007995064.db2.gz GEJZWIGVSPVVDT-SECBINFHSA-N -1 0 321.337 -0.706 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)[C@H]1C[C@@H]1C ZINC001432991467 1008056688 /nfs/dbraw/zinc/05/66/88/1008056688.db2.gz XLBXHTAJPAELKF-VGMNWLOBSA-N -1 0 311.342 -0.786 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)C2CC3(CC3)C2)c1[O-] ZINC001433264209 1008126347 /nfs/dbraw/zinc/12/63/47/1008126347.db2.gz AFAZLLJCCKFWJR-JTQLQIEISA-N -1 0 322.365 -0.179 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)C2CC3(CC3)C2)c1[O-] ZINC001433264213 1008126506 /nfs/dbraw/zinc/12/65/06/1008126506.db2.gz AFAZLLJCCKFWJR-SNVBAGLBSA-N -1 0 322.365 -0.179 20 0 DBADRM CS[C@@H](C)C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001433299302 1008142382 /nfs/dbraw/zinc/14/23/82/1008142382.db2.gz DXKGQKRUFLAHBI-YUMQZZPRSA-N -1 0 316.383 -0.618 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001444474601 1008168883 /nfs/dbraw/zinc/16/88/83/1008168883.db2.gz PDEWKYRMNIRVLD-DTWKUNHWSA-N -1 0 301.322 -0.425 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCOCC1CCOCC1 ZINC001444536254 1008175160 /nfs/dbraw/zinc/17/51/60/1008175160.db2.gz YDJJFHPFPOYMJP-UHFFFAOYSA-N -1 0 314.342 -0.361 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)Cc2cnn(C)n2)c1[O-] ZINC001444970024 1008266001 /nfs/dbraw/zinc/26/60/01/1008266001.db2.gz IEUMPKMKLMBTHJ-UHFFFAOYSA-N -1 0 307.358 -0.244 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)Cc2ncnn2C)c1[O-] ZINC001444973756 1008266393 /nfs/dbraw/zinc/26/63/93/1008266393.db2.gz SGJXNPGLYYEFME-UHFFFAOYSA-N -1 0 307.358 -0.244 20 0 DBADRM CCC(=O)NC[C@@H](C)N(CC)C(=O)c1cnc([O-])n(C)c1=O ZINC001445257695 1008322817 /nfs/dbraw/zinc/32/28/17/1008322817.db2.gz PKBKPVRLCMFUGJ-SECBINFHSA-N -1 0 310.354 -0.137 20 0 DBADRM CCC[C@@H](NC(=O)CCC(=O)N1CCC(O)CC1)c1nnn[n-]1 ZINC001445348698 1008363972 /nfs/dbraw/zinc/36/39/72/1008363972.db2.gz URWTZLGDMBCTBO-LLVKDONJSA-N -1 0 324.385 -0.079 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C1(F)CCOCC1 ZINC001445729311 1008426699 /nfs/dbraw/zinc/42/66/99/1008426699.db2.gz IRTWQPHJQUSPKH-SECBINFHSA-N -1 0 315.349 -0.035 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)COCC(F)F ZINC001445766964 1008432252 /nfs/dbraw/zinc/43/22/52/1008432252.db2.gz QKJBCWOLXPBMRR-ZETCQYMHSA-N -1 0 307.301 -0.272 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@@H](O)COCC1CC1 ZINC001445805208 1008436187 /nfs/dbraw/zinc/43/61/87/1008436187.db2.gz PIJHYUNAURTMBC-MRVPVSSYSA-N -1 0 302.356 -0.494 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCCO[C@@H]1CCOC1 ZINC001446040393 1008466023 /nfs/dbraw/zinc/46/60/23/1008466023.db2.gz YPVBKBPUKDWPJM-MRVPVSSYSA-N -1 0 302.356 -0.086 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1CCF ZINC001446051538 1008467169 /nfs/dbraw/zinc/46/71/69/1008467169.db2.gz MOUSFUSFAMNUCN-SECBINFHSA-N -1 0 301.322 -0.371 20 0 DBADRM CCn1nncc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001446165043 1008484332 /nfs/dbraw/zinc/48/43/32/1008484332.db2.gz WWNDRETUFXLJSN-UHFFFAOYSA-N -1 0 306.330 -0.826 20 0 DBADRM COc1nn(C)cc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001446225876 1008492749 /nfs/dbraw/zinc/49/27/49/1008492749.db2.gz VFWHJBPOQVOXTP-UHFFFAOYSA-N -1 0 321.341 -0.695 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001446294913 1008498374 /nfs/dbraw/zinc/49/83/74/1008498374.db2.gz RPVZJNGWIQGVDQ-SNVBAGLBSA-N -1 0 322.369 -0.740 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)C1(C)CCC1 ZINC001457386227 1008525342 /nfs/dbraw/zinc/52/53/42/1008525342.db2.gz VHHNAMACPPGOMC-QMMMGPOBSA-N -1 0 323.353 -0.045 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)c2cnc3n2CCOC3)n[n-]1 ZINC001457587454 1008547165 /nfs/dbraw/zinc/54/71/65/1008547165.db2.gz DYTFYGVHVUUDDB-UHFFFAOYSA-N -1 0 312.311 -0.813 20 0 DBADRM COc1cc(C(=O)NC[C@@H](NC(=O)c2cn[nH]n2)C(C)C)on1 ZINC001457608942 1008551200 /nfs/dbraw/zinc/55/12/00/1008551200.db2.gz YNNGUIAYVJGORI-MRVPVSSYSA-N -1 0 322.325 -0.014 20 0 DBADRM CC(C)[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CC1 ZINC001457663353 1008564680 /nfs/dbraw/zinc/56/46/80/1008564680.db2.gz VCJHMQPRSVERHW-SECBINFHSA-N -1 0 311.342 -0.644 20 0 DBADRM CCCC(=O)N(C)CCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001457693239 1008578517 /nfs/dbraw/zinc/57/85/17/1008578517.db2.gz DGYRDONKEAWIPW-UHFFFAOYSA-N -1 0 310.354 -0.184 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001457873158 1008669984 /nfs/dbraw/zinc/66/99/84/1008669984.db2.gz XTLHZIHTOYKNKK-UHFFFAOYSA-N -1 0 302.246 -0.069 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC001446762847 1008769118 /nfs/dbraw/zinc/76/91/18/1008769118.db2.gz JGQGCINIIPJEDD-VIFPVBQESA-N -1 0 323.353 -0.403 20 0 DBADRM O=C(Cc1cnoc1)NC[C@@H](O)CNC(=O)c1ncccc1O ZINC001457976664 1008788775 /nfs/dbraw/zinc/78/87/75/1008788775.db2.gz ZVFKAAJOYLQZSO-SNVBAGLBSA-N -1 0 320.305 -0.775 20 0 DBADRM Cc1c[nH]cc1C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001446798337 1008804417 /nfs/dbraw/zinc/80/44/17/1008804417.db2.gz WDGIPQXCYLSTEM-CQSZACIVSA-N -1 0 320.353 -0.486 20 0 DBADRM C[C@@H](CC(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001446812741 1008807837 /nfs/dbraw/zinc/80/78/37/1008807837.db2.gz GUWYCSVKGUJKBR-ZUZCIYMTSA-N -1 0 323.397 -0.001 20 0 DBADRM COc1cc(CC(=O)NC[C@@H](C)NC(=O)c2cn[nH]n2)ccn1 ZINC001458210312 1008822851 /nfs/dbraw/zinc/82/28/51/1008822851.db2.gz WPXACEKPJCJKEP-SECBINFHSA-N -1 0 318.337 -0.315 20 0 DBADRM C[C@H](CNC(=O)[C@@H](C)N1CCCCC1=O)NC(=O)c1cn[nH]n1 ZINC001458210467 1008823318 /nfs/dbraw/zinc/82/33/18/1008823318.db2.gz YEQKVAVVQRCZNN-NXEZZACHSA-N -1 0 322.369 -0.560 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC001458302458 1008829515 /nfs/dbraw/zinc/82/95/15/1008829515.db2.gz LLCOBOBBWKCYAL-UHFFFAOYSA-N -1 0 316.321 -0.643 20 0 DBADRM CC(C)CCCC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001446887971 1008837277 /nfs/dbraw/zinc/83/72/77/1008837277.db2.gz WZQYYRMPHLXOJI-UHFFFAOYSA-N -1 0 311.386 -0.001 20 0 DBADRM CCC(=O)NC[C@H]1CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001458625986 1008849336 /nfs/dbraw/zinc/84/93/36/1008849336.db2.gz GGOKWNZGOXBBRY-SECBINFHSA-N -1 0 318.337 -0.802 20 0 DBADRM CC(=O)N[C@]1(CO)CCCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001446994667 1008868883 /nfs/dbraw/zinc/86/88/83/1008868883.db2.gz AXTLWKYILWSUPD-OAHLLOKOSA-N -1 0 319.365 -0.514 20 0 DBADRM CCC(=O)N1CC[C@@H]1CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001458746066 1008870569 /nfs/dbraw/zinc/87/05/69/1008870569.db2.gz IWUOOPZXXIRDMP-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001458773208 1008875277 /nfs/dbraw/zinc/87/52/77/1008875277.db2.gz SKXHMJWFQNAZMV-KXUCPTDWSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1C(=O)CC1CC1 ZINC001458773265 1008875651 /nfs/dbraw/zinc/87/56/51/1008875651.db2.gz SMTIZQFWIVHIBJ-SECBINFHSA-N -1 0 309.326 -0.794 20 0 DBADRM CCC1(C(=O)N[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001447027214 1008879775 /nfs/dbraw/zinc/87/97/75/1008879775.db2.gz VESVBCJODDZHSB-QMMMGPOBSA-N -1 0 321.337 -0.196 20 0 DBADRM Cc1nnc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)s1 ZINC001458845773 1008886957 /nfs/dbraw/zinc/88/69/57/1008886957.db2.gz UWXWLZRBZVSYEQ-UHFFFAOYSA-N -1 0 305.323 -0.452 20 0 DBADRM CO[C@@H]1CCC[C@@H]1C(=O)NCC1(NC(=O)c2cn[nH]n2)CC1 ZINC001459006344 1008915087 /nfs/dbraw/zinc/91/50/87/1008915087.db2.gz DKROWJQPSSPAGX-GXSJLCMTSA-N -1 0 307.354 -0.002 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(NC(=O)[C@@H]2CC23CC3)CC1 ZINC001459042330 1008926616 /nfs/dbraw/zinc/92/66/16/1008926616.db2.gz HXORYQXKVDUHDV-QMMMGPOBSA-N -1 0 321.337 -0.746 20 0 DBADRM CC[C@H](F)C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001459049648 1008931535 /nfs/dbraw/zinc/93/15/35/1008931535.db2.gz CACZSLABBKBING-LURJTMIESA-N -1 0 313.289 -0.591 20 0 DBADRM CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C2CC2)C1 ZINC001459226917 1008988312 /nfs/dbraw/zinc/98/83/12/1008988312.db2.gz MLXFRBIFPYDOHI-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM CCOC(=O)[C@](C)(O)CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001447380610 1009057260 /nfs/dbraw/zinc/05/72/60/1009057260.db2.gz KZUDAEDIHQYDBU-SNVBAGLBSA-N -1 0 304.328 -0.967 20 0 DBADRM CC(=O)N1CC[C@](C)(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001459445130 1009027653 /nfs/dbraw/zinc/02/76/53/1009027653.db2.gz NUQSXZMAORGPKK-CQSZACIVSA-N -1 0 308.338 -0.526 20 0 DBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)c1nnn[n-]1 ZINC001461557233 1009140109 /nfs/dbraw/zinc/14/01/09/1009140109.db2.gz BMLMNTLORWIBBC-UHFFFAOYSA-N -1 0 314.327 -0.372 20 0 DBADRM CCN1C(=O)C[C@H](C(=O)NCC(=O)[N-]OC)[C@H]1c1cccnc1 ZINC001463162063 1009196811 /nfs/dbraw/zinc/19/68/11/1009196811.db2.gz MIXBFYKWSQNLJZ-SMDDNHRTSA-N -1 0 320.349 -0.215 20 0 DBADRM CO[C@H]1COCC[C@@H]1CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001447642816 1009212014 /nfs/dbraw/zinc/21/20/14/1009212014.db2.gz DCPGRSDZYDLJBW-ZJUUUORDSA-N -1 0 322.383 -0.990 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@H]1CCC2(CCC2)O1 ZINC001463410802 1009212568 /nfs/dbraw/zinc/21/25/68/1009212568.db2.gz VTLKJHNZOURIGU-GHMZBOCLSA-N -1 0 321.395 -0.069 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1nnc2ccccc2n1 ZINC001447648476 1009212897 /nfs/dbraw/zinc/21/28/97/1009212897.db2.gz WGHFMCSWSIEWAS-UHFFFAOYSA-N -1 0 323.334 -0.780 20 0 DBADRM O=C1OCC[C@H]1N1CCC(NS(=O)(=O)c2ncc[n-]2)CC1 ZINC001463358987 1009213687 /nfs/dbraw/zinc/21/36/87/1009213687.db2.gz SXWRQZPCGUPDBN-SNVBAGLBSA-N -1 0 314.367 -0.532 20 0 DBADRM O=c1nc(CCNS(=O)(=O)CCOC2CCOCC2)[n-]o1 ZINC001463638060 1009232458 /nfs/dbraw/zinc/23/24/58/1009232458.db2.gz RMOMVCGFWNKBLM-UHFFFAOYSA-N -1 0 321.355 -0.980 20 0 DBADRM Cn1cc(S(=O)(=O)NCCC[C@H]2CCOC2)c(=O)[nH]c1=O ZINC001463707673 1009233985 /nfs/dbraw/zinc/23/39/85/1009233985.db2.gz DZZRVBCLVHLLHA-VIFPVBQESA-N -1 0 317.367 -0.419 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C)nn2)C1=O ZINC001463651675 1009234049 /nfs/dbraw/zinc/23/40/49/1009234049.db2.gz QBYHEJYQYIEVHI-NSHDSACASA-N -1 0 313.339 -0.301 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3NC(=O)C[C@@H]3C)cc2=O)n1 ZINC001463968252 1009267256 /nfs/dbraw/zinc/26/72/56/1009267256.db2.gz CSURSHZNSZFOBG-VIFPVBQESA-N -1 0 316.321 -0.162 20 0 DBADRM CO[N-]C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001463997006 1009275166 /nfs/dbraw/zinc/27/51/66/1009275166.db2.gz SRBMYAIDYICVIS-SECBINFHSA-N -1 0 308.743 -0.343 20 0 DBADRM O=C(CCc1nnn[n-]1)NCc1ccnc(N2CCOCC2)c1 ZINC001463977394 1009275671 /nfs/dbraw/zinc/27/56/71/1009275671.db2.gz MNUOKVAJFJHWKP-UHFFFAOYSA-N -1 0 317.353 -0.320 20 0 DBADRM O=C(CN1CCOC1=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001447740886 1009277684 /nfs/dbraw/zinc/27/76/84/1009277684.db2.gz IDFHQSXMWYWLSN-UHFFFAOYSA-N -1 0 304.266 -0.241 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H]1C[C@@H](C(N)=O)C1 ZINC001464009913 1009281851 /nfs/dbraw/zinc/28/18/51/1009281851.db2.gz SEQXMWIBBXRZDV-KNVOCYPGSA-N -1 0 302.308 -0.392 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H](F)C(=O)OC ZINC001464493954 1009317617 /nfs/dbraw/zinc/31/76/17/1009317617.db2.gz FXOORWOUVUJIET-ZETCQYMHSA-N -1 0 304.365 -0.160 20 0 DBADRM CN(C)c1ncnc2c1cc(C(=O)N[C@@](C)(CO)C(=O)[O-])n2C ZINC001598365105 1017256931 /nfs/dbraw/zinc/25/69/31/1017256931.db2.gz IBPJNUSSDOWDNY-AWEZNQCLSA-N -1 0 321.337 -0.400 20 0 DBADRM CN(C)c1cnc(C(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cn1 ZINC001598348176 1017257348 /nfs/dbraw/zinc/25/73/48/1017257348.db2.gz GESYSIDLAHWALR-IUCAKERBSA-N -1 0 321.337 -0.891 20 0 DBADRM CN(C)c1ncnc2c1cc(C(=O)NCCOCC(=O)[O-])n2C ZINC001598365197 1017258078 /nfs/dbraw/zinc/25/80/78/1017258078.db2.gz JZUYUBQFXYMJPX-UHFFFAOYSA-N -1 0 321.337 -0.135 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)n1 ZINC001598351721 1017258531 /nfs/dbraw/zinc/25/85/31/1017258531.db2.gz CHBSOLVKAMEVRE-UHFFFAOYSA-N -1 0 305.298 -0.191 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)N[C@@H](C(=O)[O-])c2cccnc2)n1 ZINC001598351978 1017258615 /nfs/dbraw/zinc/25/86/15/1017258615.db2.gz FWTONARVTMBMDG-MRVPVSSYSA-N -1 0 317.309 -0.530 20 0 DBADRM CN(C)c1ncnc2c1cc(C(=O)NC[C@H](O)CC(=O)[O-])n2C ZINC001598365322 1017258752 /nfs/dbraw/zinc/25/87/52/1017258752.db2.gz NTDCZVBJCQLJEX-MRVPVSSYSA-N -1 0 321.337 -0.400 20 0 DBADRM COC(=O)[C@@H](CCC1OCCO1)NS(=O)(=O)c1ncc[n-]1 ZINC001464321026 1009305307 /nfs/dbraw/zinc/30/53/07/1009305307.db2.gz AMJKUFFLGUAQKW-MRVPVSSYSA-N -1 0 319.339 -0.617 20 0 DBADRM CN(CC(=O)N1CCNC(=O)C1)Cc1ccc(C(=O)[O-])cc1 ZINC001598380290 1017259890 /nfs/dbraw/zinc/25/98/90/1017259890.db2.gz AVZGITUKFBFQOV-UHFFFAOYSA-N -1 0 305.334 -0.225 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCc2cnoc2)on1 ZINC001464399980 1009309697 /nfs/dbraw/zinc/30/96/97/1009309697.db2.gz GEFLDNHANDAXSE-UHFFFAOYSA-N -1 0 301.280 -0.030 20 0 DBADRM CN(CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])C1CCC1 ZINC001598380630 1017260664 /nfs/dbraw/zinc/26/06/64/1017260664.db2.gz LBRRILSMLLVZRU-JTQLQIEISA-N -1 0 304.368 -0.819 20 0 DBADRM CN([C@H]1CCNC1=O)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001598374474 1017260879 /nfs/dbraw/zinc/26/08/79/1017260879.db2.gz FKZPERCGZUNFSS-QMMMGPOBSA-N -1 0 301.324 -0.768 20 0 DBADRM CN(CC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)C(=O)C1CC1 ZINC001598384843 1017260910 /nfs/dbraw/zinc/26/09/10/1017260910.db2.gz JIXXTFGDZHAOJT-XHDPSFHLSA-N -1 0 310.350 -0.196 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2cc(C(F)(F)F)nn2C)n1 ZINC001464430216 1009313844 /nfs/dbraw/zinc/31/38/44/1009313844.db2.gz SMOWVVNACOGPEM-UHFFFAOYSA-N -1 0 311.249 -0.237 20 0 DBADRM CN(C1CS(=O)(=O)C1)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001598376257 1017261481 /nfs/dbraw/zinc/26/14/81/1017261481.db2.gz OORYNMOSICRWPA-UHFFFAOYSA-N -1 0 320.348 -0.803 20 0 DBADRM CN(CC(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1)S(C)(=O)=O ZINC001598384694 1017261491 /nfs/dbraw/zinc/26/14/91/1017261491.db2.gz ARZAKXZYMSEGOT-LLVKDONJSA-N -1 0 316.335 -0.475 20 0 DBADRM CN(CC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C(=O)OC(C)(C)C ZINC001598385115 1017261523 /nfs/dbraw/zinc/26/15/23/1017261523.db2.gz YEWJCRINRRKUOX-RKDXNWHRSA-N -1 0 302.327 -0.100 20 0 DBADRM CN(CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)C1CCC1 ZINC001598392072 1017264469 /nfs/dbraw/zinc/26/44/69/1017264469.db2.gz XRQQGMUAHVKHIS-GXFFZTMASA-N -1 0 318.395 -0.525 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)Cc1ccccc1C(=O)OC ZINC001464689993 1009335705 /nfs/dbraw/zinc/33/57/05/1009335705.db2.gz BMQSWWBJZHHXJZ-UHFFFAOYSA-N -1 0 316.335 -0.430 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001464738291 1009337338 /nfs/dbraw/zinc/33/73/38/1009337338.db2.gz AFIPDHFEQKZMSM-VHSXEESVSA-N -1 0 316.383 -0.285 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001464738288 1009337628 /nfs/dbraw/zinc/33/76/28/1009337628.db2.gz AFIPDHFEQKZMSM-UWVGGRQHSA-N -1 0 316.383 -0.285 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC001464747492 1009338156 /nfs/dbraw/zinc/33/81/56/1009338156.db2.gz TZLYPUCQNNJZAT-LLVKDONJSA-N -1 0 317.305 -0.611 20 0 DBADRM CN(CC(C)(C)C)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001598419504 1017266380 /nfs/dbraw/zinc/26/63/80/1017266380.db2.gz KEQFIAPOSPANGG-NXEZZACHSA-N -1 0 300.355 -0.215 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001598432102 1017266397 /nfs/dbraw/zinc/26/63/97/1017266397.db2.gz AVJYSUKRRSUYDU-IAQYHMDHSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCN([S@@](C)(=N)=O)CC1 ZINC001598409036 1017267541 /nfs/dbraw/zinc/26/75/41/1017267541.db2.gz FZNRKBMSFVZXSA-HXUWFJFHSA-N -1 0 306.388 -0.871 20 0 DBADRM Cc1n[nH]c(=O)c(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1C ZINC001464880104 1009346979 /nfs/dbraw/zinc/34/69/79/1009346979.db2.gz GMKOZRDTOFVCKR-MRVPVSSYSA-N -1 0 305.298 -0.474 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001598430058 1017267561 /nfs/dbraw/zinc/26/75/61/1017267561.db2.gz BILJRHCAZAKMFI-UHFFFAOYSA-N -1 0 313.697 -0.080 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCOC[C@H]1[C@H]1CCCO1 ZINC001598408712 1017267724 /nfs/dbraw/zinc/26/77/24/1017267724.db2.gz CFVCNKMRUSHLCK-NWDGAFQWSA-N -1 0 300.355 -0.201 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001464880024 1009348502 /nfs/dbraw/zinc/34/85/02/1009348502.db2.gz FWKHDGJOVAZLJW-GMTAPVOTSA-N -1 0 311.342 -0.459 20 0 DBADRM CN(C[C@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)[C@H]1CCCO1 ZINC001598435232 1017267820 /nfs/dbraw/zinc/26/78/20/1017267820.db2.gz DJAOLKIFCLDBJC-NXEZZACHSA-N -1 0 324.337 -0.993 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCC[C@@H](S(C)(=O)=O)C1 ZINC001598405460 1017267829 /nfs/dbraw/zinc/26/78/29/1017267829.db2.gz WPBQAHAVLNRGKF-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM CN(CC(F)(F)F)C(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001598429266 1017268047 /nfs/dbraw/zinc/26/80/47/1017268047.db2.gz BBGLOWQMPZXCPD-ZETCQYMHSA-N -1 0 311.260 -0.718 20 0 DBADRM C[C@@H](NCc1nncn1C)[C@@H](C)NC(=O)c1cnc[nH]c1=O ZINC001447850808 1009350565 /nfs/dbraw/zinc/35/05/65/1009350565.db2.gz DDPLXZUQILBMJC-RKDXNWHRSA-N -1 0 305.342 -0.393 20 0 DBADRM COCCn1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cn1 ZINC001464885042 1009350351 /nfs/dbraw/zinc/35/03/51/1009350351.db2.gz RGQHALGVCVWIKJ-JTQLQIEISA-N -1 0 307.314 -0.744 20 0 DBADRM COC(=O)[C@H](C)CN(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001464891283 1009350585 /nfs/dbraw/zinc/35/05/85/1009350585.db2.gz OMPUDASNABWOFV-SECBINFHSA-N -1 0 318.337 -0.044 20 0 DBADRM COC(=O)[C@@H](CNC(=O)CCc1nnn[n-]1)Cc1ccncc1 ZINC001464911560 1009352142 /nfs/dbraw/zinc/35/21/42/1009352142.db2.gz OAMZICBAMCIISW-LLVKDONJSA-N -1 0 318.337 -0.325 20 0 DBADRM O=C(c1c[nH]nc1[C@H]1CCCO1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001464886149 1009352804 /nfs/dbraw/zinc/35/28/04/1009352804.db2.gz VDQXEHQYXFJZKP-NXEZZACHSA-N -1 0 319.325 -0.012 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)Cc2cncnc2)c1[O-] ZINC001447865955 1009359817 /nfs/dbraw/zinc/35/98/17/1009359817.db2.gz APTFISIHYHNMPR-QMMMGPOBSA-N -1 0 318.337 -0.309 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC001465067173 1009360881 /nfs/dbraw/zinc/36/08/81/1009360881.db2.gz MTZNFJQAGRMTHQ-QMMMGPOBSA-N -1 0 307.310 -0.490 20 0 DBADRM CCC[C@@H](NC(=O)CN1CCCCC(=O)C1=O)c1nnn[n-]1 ZINC001465685377 1009383930 /nfs/dbraw/zinc/38/39/30/1009383930.db2.gz PSJIXMXWGLMUTF-SECBINFHSA-N -1 0 308.342 -0.261 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cncnc1N1CCCC1 ZINC001465851133 1009389072 /nfs/dbraw/zinc/38/90/72/1009389072.db2.gz OGBRMLGIXYNMRW-UHFFFAOYSA-N -1 0 305.298 -0.282 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001466306065 1009415260 /nfs/dbraw/zinc/41/52/60/1009415260.db2.gz ZCOXMHIWAJIBSO-SSDOTTSWSA-N -1 0 301.324 -0.806 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001466307734 1009416861 /nfs/dbraw/zinc/41/68/61/1009416861.db2.gz VSTXLMJKYRVLBD-CRCLSJGQSA-N -1 0 308.216 -0.706 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001466547271 1009428963 /nfs/dbraw/zinc/42/89/63/1009428963.db2.gz LDHOFWWJMDQZPK-HTQZYQBOSA-N -1 0 304.376 -0.600 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC001466547439 1009429746 /nfs/dbraw/zinc/42/97/46/1009429746.db2.gz RCICMVYBDBRNON-MWLCHTKSSA-N -1 0 320.357 -0.110 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1COc2ccccc2[C@@H]1O ZINC001466547022 1009429853 /nfs/dbraw/zinc/42/98/53/1009429853.db2.gz BJIMNUZTRAMXCM-KOLCDFICSA-N -1 0 304.310 -0.269 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)COc1ccsn1 ZINC001466837083 1009451600 /nfs/dbraw/zinc/45/16/00/1009451600.db2.gz CAXMAMJUQAHMDK-UHFFFAOYSA-N -1 0 307.353 -0.896 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc2n(n1)CCCC2 ZINC001466837583 1009452456 /nfs/dbraw/zinc/45/24/56/1009452456.db2.gz JUCYVZNGUBGUMA-UHFFFAOYSA-N -1 0 314.367 -0.585 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001466865467 1009457176 /nfs/dbraw/zinc/45/71/76/1009457176.db2.gz XXFPWPXURBHIET-SECBINFHSA-N -1 0 317.305 -0.389 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001448024651 1009465842 /nfs/dbraw/zinc/46/58/42/1009465842.db2.gz IYHNLCJHAUFBBR-VIFPVBQESA-N -1 0 315.337 -0.622 20 0 DBADRM O=C(Cc1csc([C@H]2CCS(=O)(=O)C2)n1)[N-]OCCO ZINC001467301101 1009478950 /nfs/dbraw/zinc/47/89/50/1009478950.db2.gz IWCLMLFIXWUQSH-QMMMGPOBSA-N -1 0 320.392 -0.372 20 0 DBADRM O=C(NCCc1n[n-]c(=S)o1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001467313981 1009483468 /nfs/dbraw/zinc/48/34/68/1009483468.db2.gz PEQTUGVUQCIXLC-LURJTMIESA-N -1 0 310.339 -0.423 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)NCCc1n[n-]c(=S)o1 ZINC001467314657 1009485009 /nfs/dbraw/zinc/48/50/09/1009485009.db2.gz UGENDOAWOMFQQT-CYBMUJFWSA-N -1 0 324.362 -0.370 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448045671 1009492065 /nfs/dbraw/zinc/49/20/65/1009492065.db2.gz LQEBDBYVCJPEBB-NXEZZACHSA-N -1 0 324.385 -0.685 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448045673 1009492330 /nfs/dbraw/zinc/49/23/30/1009492330.db2.gz LQEBDBYVCJPEBB-VHSXEESVSA-N -1 0 324.385 -0.685 20 0 DBADRM Cc1cc(NCCNC(=O)CCCn2c(=O)[n-][nH]c2=O)n(C)n1 ZINC001467472070 1009500079 /nfs/dbraw/zinc/50/00/79/1009500079.db2.gz WZDZBOAPIVGKLR-UHFFFAOYSA-N -1 0 323.357 -0.260 20 0 DBADRM O=C(c1cnn(CCO)c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001467508998 1009502574 /nfs/dbraw/zinc/50/25/74/1009502574.db2.gz QTINAQLGUVQFHQ-VIFPVBQESA-N -1 0 306.326 -0.281 20 0 DBADRM Cc1cn2nc(C(=O)NCCc3nnc([S-])o3)cc2c(=O)[nH]1 ZINC001448072788 1009508860 /nfs/dbraw/zinc/50/88/60/1009508860.db2.gz JSBWPCDTIGDEPR-UHFFFAOYSA-N -1 0 320.334 -0.025 20 0 DBADRM O=C(NCCc1n[n-]c(=S)o1)[C@H]1COCCN1CC(F)F ZINC001448074396 1009514298 /nfs/dbraw/zinc/51/42/98/1009514298.db2.gz LGPIBUOUCSXIGF-SSDOTTSWSA-N -1 0 322.337 -0.017 20 0 DBADRM CC(C)(O)CONC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001467738917 1009515163 /nfs/dbraw/zinc/51/51/63/1009515163.db2.gz UPSINKOEWBQTGK-UHFFFAOYSA-N -1 0 308.294 -0.302 20 0 DBADRM O=C(C[C@@H]1C=CS(=O)(=O)C1)NCCc1n[n-]c(=S)o1 ZINC001448074569 1009516115 /nfs/dbraw/zinc/51/61/15/1009516115.db2.gz MSWPGRGSSCHKMV-ZETCQYMHSA-N -1 0 303.365 -0.035 20 0 DBADRM COCCOc1ccc(CNC(=O)NCC(=O)[N-]OC)cn1 ZINC001467742582 1009517625 /nfs/dbraw/zinc/51/76/25/1009517625.db2.gz SIKZKUFBJWHXHZ-UHFFFAOYSA-N -1 0 312.326 -0.416 20 0 DBADRM CN(C[C@@H](O)CNc1ncc(C(=O)[O-])cn1)C(=O)[C@H]1CCCO1 ZINC001598435340 1017269659 /nfs/dbraw/zinc/26/96/59/1017269659.db2.gz FLBPAGQVHATWOK-WDEREUQCSA-N -1 0 324.337 -0.415 20 0 DBADRM CN(C[C@H](O)CN1CCO[C@H](C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001598436670 1017269725 /nfs/dbraw/zinc/26/97/25/1017269725.db2.gz QDWSNPNCFMRXSR-QWRGUYRKSA-N -1 0 318.370 0.000 20 0 DBADRM CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001598454618 1017270564 /nfs/dbraw/zinc/27/05/64/1017270564.db2.gz FWEXCHDEIYTRAR-QWRGUYRKSA-N -1 0 315.370 -0.230 20 0 DBADRM CN(C[C@H](O)CNc1ncc(C(=O)[O-])cn1)C(=O)c1cnco1 ZINC001598435987 1017270614 /nfs/dbraw/zinc/27/06/14/1017270614.db2.gz IYNQMLIQNNKYNJ-SECBINFHSA-N -1 0 321.293 -0.292 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@H](O)C1CCOCC1 ZINC001598470970 1017271623 /nfs/dbraw/zinc/27/16/23/1017271623.db2.gz DSJHIOCGYAFDPU-JTQLQIEISA-N -1 0 310.372 -0.985 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC2(COC(=O)N2)CC1 ZINC001598470213 1017271682 /nfs/dbraw/zinc/27/16/82/1017271682.db2.gz ATEDEWIJSXBPEM-UHFFFAOYSA-N -1 0 321.355 -0.788 20 0 DBADRM CN(C[C@@H]1COCCO1)c1nnnn1C1CC(CC(=O)[O-])C1 ZINC001598467537 1017272272 /nfs/dbraw/zinc/27/22/72/1017272272.db2.gz MYXXZEGJXGBEQB-VQXHTEKXSA-N -1 0 311.342 -0.050 20 0 DBADRM Cc1noc(CNC(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)n1 ZINC001468641022 1009578224 /nfs/dbraw/zinc/57/82/24/1009578224.db2.gz XBGKREUDUWFLHT-VIFPVBQESA-N -1 0 319.325 -0.048 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598466564 1017272704 /nfs/dbraw/zinc/27/27/04/1017272704.db2.gz CVXJFIISYCRUFX-AXFHLTTASA-N -1 0 314.338 -0.818 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCC[C@H]1CCOC1=O ZINC001598470896 1017272980 /nfs/dbraw/zinc/27/29/80/1017272980.db2.gz HHAWELJZUVCLGR-VIFPVBQESA-N -1 0 308.356 -0.429 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1nncn1C ZINC001598477412 1017274542 /nfs/dbraw/zinc/27/45/42/1017274542.db2.gz NTCJHRSQAMTIOY-MNOVXSKESA-N -1 0 309.370 -0.184 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)Cc1ncc[nH]1 ZINC001598477370 1017274810 /nfs/dbraw/zinc/27/48/10/1017274810.db2.gz MUWDSTMDQSAIPX-GHMZBOCLSA-N -1 0 322.365 -0.020 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H](CCO)c1ccco1 ZINC001598471683 1017274941 /nfs/dbraw/zinc/27/49/41/1017274941.db2.gz ZXRNHJPCVDZOKZ-SECBINFHSA-N -1 0 306.340 -0.056 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC(C)(C)[C@@]1(O)CCOC1 ZINC001598471381 1017275302 /nfs/dbraw/zinc/27/53/02/1017275302.db2.gz JGEDYABJNMDHJC-GFCCVEGCSA-N -1 0 324.399 -0.595 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1ccncn1 ZINC001598478565 1017275492 /nfs/dbraw/zinc/27/54/92/1017275492.db2.gz BHOFDZBIBQUYID-NXEZZACHSA-N -1 0 306.322 -0.224 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC001598480270 1017276524 /nfs/dbraw/zinc/27/65/24/1017276524.db2.gz JBSLVMFWNYPTML-NXEZZACHSA-N -1 0 322.383 -0.484 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc2nnnn2n1 ZINC001598480005 1017277347 /nfs/dbraw/zinc/27/73/47/1017277347.db2.gz QHIXIHPPTSTQNU-RKDXNWHRSA-N -1 0 319.325 -0.818 20 0 DBADRM CN(CCCNC(=O)c1c[nH]c(=O)n1C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598481175 1017277418 /nfs/dbraw/zinc/27/74/18/1017277418.db2.gz IMVBEWJCOFGBDZ-DTWKUNHWSA-N -1 0 324.337 -0.575 20 0 DBADRM CN(CCCNC(=S)NCCCC(=O)[O-])S(C)(=O)=O ZINC001598481088 1017277621 /nfs/dbraw/zinc/27/76/21/1017277621.db2.gz FLBVAWBBGUUJAL-UHFFFAOYSA-N -1 0 311.429 -0.403 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)CCn1ccnc1 ZINC001598479766 1017277642 /nfs/dbraw/zinc/27/76/42/1017277642.db2.gz MIHYYWGTRZVEGW-NEPJUHHUSA-N -1 0 322.365 -0.041 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC001598480965 1017277723 /nfs/dbraw/zinc/27/77/23/1017277723.db2.gz OPAKLHZLXAOCQN-ATZCPNFKSA-N -1 0 319.383 -0.777 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1cnn(C)c1N ZINC001598480445 1017277734 /nfs/dbraw/zinc/27/77/34/1017277734.db2.gz VDVVNNUIYZPFBL-RKDXNWHRSA-N -1 0 323.353 -0.699 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)[C@@H]1CC(C)(C)OC1=O ZINC001598480259 1017277887 /nfs/dbraw/zinc/27/78/87/1017277887.db2.gz IGXWMBBQCQYAAV-MRVPVSSYSA-N -1 0 308.356 -0.336 20 0 DBADRM CCC(C)(C)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001448190559 1009608135 /nfs/dbraw/zinc/60/81/35/1009608135.db2.gz QBAYQKOZTFDQPF-UHFFFAOYSA-N -1 0 311.386 -0.001 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)Cc1ccon1 ZINC001598486943 1017278679 /nfs/dbraw/zinc/27/86/79/1017278679.db2.gz XHQGEUOZBRLYCL-GHMZBOCLSA-N -1 0 309.322 -0.145 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1cnsn1 ZINC001598485418 1017280302 /nfs/dbraw/zinc/28/03/02/1017280302.db2.gz DDEISOZSYZQMFW-HTQZYQBOSA-N -1 0 312.351 -0.211 20 0 DBADRM CN(CCNC(=O)[C@]1(F)CCOC1)c1ncc(C(=O)[O-])cn1 ZINC001598489387 1017281955 /nfs/dbraw/zinc/28/19/55/1017281955.db2.gz OSCXIRGUYLBPSO-ZDUSSCGKSA-N -1 0 312.301 -0.144 20 0 DBADRM CN(CCN(C)c1ncc(C(=O)[O-])cn1)C(=O)c1ncn(C)n1 ZINC001598487628 1017282160 /nfs/dbraw/zinc/28/21/60/1017282160.db2.gz YMODPHRDZHGHRP-UHFFFAOYSA-N -1 0 319.325 -0.488 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)Cc1cccnc1 ZINC001598489767 1017282979 /nfs/dbraw/zinc/28/29/79/1017282979.db2.gz XHFQRVILROPSCU-RYUDHWBXSA-N -1 0 305.334 -0.081 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC001469198350 1009640210 /nfs/dbraw/zinc/64/02/10/1009640210.db2.gz RTKHHVAYBZHJEZ-VIFPVBQESA-N -1 0 312.326 -0.466 20 0 DBADRM O=C(N[C@@H]([C@H]1CCCO1)C1(CO)CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001469483900 1009658031 /nfs/dbraw/zinc/65/80/31/1009658031.db2.gz IVDYTFLSEMJPTH-SCZZXKLOSA-N -1 0 324.337 -0.277 20 0 DBADRM COC(=O)C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccncc1 ZINC001469574493 1009673691 /nfs/dbraw/zinc/67/36/91/1009673691.db2.gz QSJPOJCGYRTHJZ-SECBINFHSA-N -1 0 321.293 -0.495 20 0 DBADRM COc1cccnc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448348940 1009730043 /nfs/dbraw/zinc/73/00/43/1009730043.db2.gz LTHZGZNBARIZSV-UHFFFAOYSA-N -1 0 304.310 -0.273 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448353735 1009732116 /nfs/dbraw/zinc/73/21/16/1009732116.db2.gz ULKHZABPKVMUAZ-UXBLZVDNSA-N -1 0 324.366 -0.944 20 0 DBADRM CC(C)(C)N1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1=O ZINC001470312820 1009732363 /nfs/dbraw/zinc/73/23/63/1009732363.db2.gz SWUHDGTVZQKJNG-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM Cn1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c(C2CC2)n1 ZINC001448354751 1009733498 /nfs/dbraw/zinc/73/34/98/1009733498.db2.gz YLTADLPAXRZGEI-UHFFFAOYSA-N -1 0 317.353 -0.066 20 0 DBADRM C[C@H](CCNC(=O)C1CC1)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001448412290 1009753446 /nfs/dbraw/zinc/75/34/46/1009753446.db2.gz PHPYCKZNGXWIHI-MRVPVSSYSA-N -1 0 323.353 -0.364 20 0 DBADRM CON(C)C(=O)CNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001470565697 1009763664 /nfs/dbraw/zinc/76/36/64/1009763664.db2.gz ARMWTGZMSVZHKN-MRVPVSSYSA-N -1 0 312.330 -0.581 20 0 DBADRM CN(C(=O)CNc1ccc(S(C)(=O)=O)cc1)c1nnn[n-]1 ZINC001470570881 1009763721 /nfs/dbraw/zinc/76/37/21/1009763721.db2.gz GANQPQCKICRHJC-UHFFFAOYSA-N -1 0 310.339 -0.322 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCC(O)(C(N)=O)CC2)cc1=O ZINC001448461582 1009784767 /nfs/dbraw/zinc/78/47/67/1009784767.db2.gz GYSFUNLTZODPSP-UHFFFAOYSA-N -1 0 324.381 -0.786 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CC[C@@H](c3nnn[n-]3)C2)O1 ZINC001471459181 1009824364 /nfs/dbraw/zinc/82/43/64/1009824364.db2.gz BYBOIYFXCPEQMQ-BBBLOLIVSA-N -1 0 308.342 -0.671 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC(N2CCCOC2=O)CC1 ZINC001471483870 1009826058 /nfs/dbraw/zinc/82/60/58/1009826058.db2.gz YJYYQVGBTMTYPY-UHFFFAOYSA-N -1 0 314.342 -0.320 20 0 DBADRM C[C@H](CCNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001448609594 1009827349 /nfs/dbraw/zinc/82/73/49/1009827349.db2.gz KCBNDAGXTQPNEN-RNJXMRFFSA-N -1 0 309.326 -0.437 20 0 DBADRM CC(C)(C)OC(=O)NOCC(=O)NCCc1nc(=O)o[n-]1 ZINC001448629582 1009832690 /nfs/dbraw/zinc/83/26/90/1009832690.db2.gz MHVMGAYFXGLUCF-UHFFFAOYSA-N -1 0 302.287 -0.522 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@H](CO)NC(=O)C(C)C ZINC001471646822 1009835273 /nfs/dbraw/zinc/83/52/73/1009835273.db2.gz RDZVDCYQEPLLQF-JTQLQIEISA-N -1 0 312.374 -0.683 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)Nc1n[nH]c2c1COCC2 ZINC001471832842 1009847766 /nfs/dbraw/zinc/84/77/66/1009847766.db2.gz ZNCLNKBOBVIYIB-UHFFFAOYSA-N -1 0 308.298 -0.096 20 0 DBADRM COC[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc21)c1nnn[n-]1 ZINC001471845025 1009848478 /nfs/dbraw/zinc/84/84/78/1009848478.db2.gz CGJQYSGPOUVNJW-QWRGUYRKSA-N -1 0 316.321 -0.122 20 0 DBADRM COC[C@H](NC(=O)COCc1ccnc(OC)c1)c1nnn[n-]1 ZINC001471845674 1009849105 /nfs/dbraw/zinc/84/91/05/1009849105.db2.gz OSDNVCGSAFRDTF-JTQLQIEISA-N -1 0 322.325 -0.376 20 0 DBADRM COC[C@H](NC(=O)C(=O)c1ccccc1OC)c1nnn[n-]1 ZINC001471845088 1009849241 /nfs/dbraw/zinc/84/92/41/1009849241.db2.gz CZIUWMPCBSTWFH-VIFPVBQESA-N -1 0 305.294 -0.105 20 0 DBADRM COC[C@@H](NC(=O)CCc1nc2cccnc2[nH]1)c1nnn[n-]1 ZINC001471846607 1009849509 /nfs/dbraw/zinc/84/95/09/1009849509.db2.gz WGCLAXYGGUXXBA-SECBINFHSA-N -1 0 316.325 -0.093 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001471853724 1009851111 /nfs/dbraw/zinc/85/11/11/1009851111.db2.gz MNNKESOIQSMSCU-ZJUUUORDSA-N -1 0 315.399 -0.339 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)c(=O)[nH]c1=O ZINC001471854348 1009851356 /nfs/dbraw/zinc/85/13/56/1009851356.db2.gz UVBHWMXZCMQDFF-QMMMGPOBSA-N -1 0 319.325 -0.906 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001471854737 1009851434 /nfs/dbraw/zinc/85/14/34/1009851434.db2.gz YDHNSTRNXFSOAL-JTQLQIEISA-N -1 0 320.353 -0.480 20 0 DBADRM C[C@@]1(C2CCN(C(=O)CCc3nnn[n-]3)CC2)COC(=O)N1 ZINC001471908345 1009853253 /nfs/dbraw/zinc/85/32/53/1009853253.db2.gz LUJHVWSAXWPONU-ZDUSSCGKSA-N -1 0 308.342 -0.131 20 0 DBADRM CN(C)Cc1csc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001471918219 1009855947 /nfs/dbraw/zinc/85/59/47/1009855947.db2.gz MAWLELFVAWZJNU-UHFFFAOYSA-N -1 0 312.355 -0.476 20 0 DBADRM Cn1nccc1[C@H](O)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001472041111 1009861739 /nfs/dbraw/zinc/86/17/39/1009861739.db2.gz KUKWEJAYUMALCK-SNVBAGLBSA-N -1 0 302.294 -0.781 20 0 DBADRM Cn1nc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1C(F)(F)F ZINC001472297950 1009878391 /nfs/dbraw/zinc/87/83/91/1009878391.db2.gz AQHPOGUOGFSRGZ-UHFFFAOYSA-N -1 0 318.215 -0.035 20 0 DBADRM COCCn1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cn1 ZINC001472498857 1009888119 /nfs/dbraw/zinc/88/81/19/1009888119.db2.gz WCXHKAMTLKYVAH-UHFFFAOYSA-N -1 0 314.327 -0.697 20 0 DBADRM COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)c1n[nH]c(=O)[n-]1 ZINC001472629066 1009891679 /nfs/dbraw/zinc/89/16/79/1009891679.db2.gz WWHVHCDVQWTKEM-LURJTMIESA-N -1 0 306.282 -0.242 20 0 DBADRM CS[C@H](C)CC(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001448815221 1009891913 /nfs/dbraw/zinc/89/19/13/1009891913.db2.gz HUQIVUCHJJSZNE-SFYZADRCSA-N -1 0 303.388 -0.781 20 0 DBADRM CS[C@@H](C)CC(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001448815222 1009892197 /nfs/dbraw/zinc/89/21/97/1009892197.db2.gz HUQIVUCHJJSZNE-YUMQZZPRSA-N -1 0 303.388 -0.781 20 0 DBADRM O=C(N[C@@H]1COCC[C@H]1O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001472612837 1009892320 /nfs/dbraw/zinc/89/23/20/1009892320.db2.gz SMODFRQZSRKYNF-GHMZBOCLSA-N -1 0 305.290 -0.091 20 0 DBADRM Nc1nc2nc(CN3CCC[C@H]4CCNC(=O)[C@@H]43)cc(=O)n2[n-]1 ZINC001473745860 1009948109 /nfs/dbraw/zinc/94/81/09/1009948109.db2.gz XMAIDCVYYRPMFF-GZMMTYOYSA-N -1 0 317.353 -0.900 20 0 DBADRM Cn1cc(N2CCN(S(=O)(=O)c3ncc[n-]3)CC2=O)cn1 ZINC001475040793 1009994184 /nfs/dbraw/zinc/99/41/84/1009994184.db2.gz PCAJGRCNWTXXSR-UHFFFAOYSA-N -1 0 310.339 -0.819 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC1(CO)COC1 ZINC001475121261 1009999348 /nfs/dbraw/zinc/99/93/48/1009999348.db2.gz XEJKLQOHSJOSHL-SFHVURJKSA-N -1 0 314.429 -0.274 20 0 DBADRM C[S@@](=O)(=NS(=O)(=O)[N-][C@@H]1CNC(=O)C1)c1ccccc1 ZINC001475171346 1010005793 /nfs/dbraw/zinc/00/57/93/1010005793.db2.gz FZUXCVYMBWMEBC-UGZDLDLSSA-N -1 0 317.392 -0.134 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001448878942 1010007287 /nfs/dbraw/zinc/00/72/87/1010007287.db2.gz APZLSIZHEKVDRC-UHFFFAOYSA-N -1 0 322.350 -0.431 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]Cc1nnc2n1CCCC2 ZINC001475265831 1010012358 /nfs/dbraw/zinc/01/23/58/1010012358.db2.gz VABPTYVYFYGYNN-UHFFFAOYSA-N -1 0 307.401 -0.324 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@]2(C)CCC(=O)N2)n[nH]1 ZINC001475367850 1010022130 /nfs/dbraw/zinc/02/21/30/1010022130.db2.gz HXGKJGRDQSMTEG-NSHDSACASA-N -1 0 316.339 -0.857 20 0 DBADRM NS(=O)(=O)C1CN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC001475380870 1010024204 /nfs/dbraw/zinc/02/42/04/1010024204.db2.gz ZQBRZCHKTMRVAG-UHFFFAOYSA-N -1 0 310.328 -0.807 20 0 DBADRM Cc1c[nH]c(C(=O)NCCN(C)C(=O)c2n[nH]c(C)c2[O-])n1 ZINC001448893658 1010030474 /nfs/dbraw/zinc/03/04/74/1010030474.db2.gz WKGCPBLEMZLJNE-UHFFFAOYSA-N -1 0 306.326 -0.043 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ncc[n-]1 ZINC001475507496 1010033433 /nfs/dbraw/zinc/03/34/33/1010033433.db2.gz WTVCQZQSRDCOMJ-RKDXNWHRSA-N -1 0 322.412 -0.452 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]N2CCCC2=O)cc1C(N)=O ZINC001475564756 1010035596 /nfs/dbraw/zinc/03/55/96/1010035596.db2.gz KHKNPDZNVWCDKA-UHFFFAOYSA-N -1 0 313.335 -0.390 20 0 DBADRM CC[C@@H](NC(=O)CN1CCC[C@@H](C(=O)OC)C1=O)C(=O)[O-] ZINC001595242875 1017080555 /nfs/dbraw/zinc/08/05/55/1017080555.db2.gz RFHKMXNOOHMJPS-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM CC[C@@H](CS(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])OC ZINC001595203592 1017080637 /nfs/dbraw/zinc/08/06/37/1017080637.db2.gz SXMRNAHBXLJBTQ-UWVGGRQHSA-N -1 0 322.383 -0.594 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)C[C@@]1(OC(C)C)CCOC1 ZINC001475744518 1010055144 /nfs/dbraw/zinc/05/51/44/1010055144.db2.gz BSHQQDXYPJQEET-LLVKDONJSA-N -1 0 310.372 -0.833 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1c(OC)cccc1OC ZINC001475745642 1010055695 /nfs/dbraw/zinc/05/56/95/1010055695.db2.gz PYCFBFFZWYAYKW-UHFFFAOYSA-N -1 0 304.324 -0.340 20 0 DBADRM CC[C@H](Cc1cn(CCN2CCCS2(=O)=O)nn1)C(=O)[O-] ZINC001595219718 1017081439 /nfs/dbraw/zinc/08/14/39/1017081439.db2.gz RUOYOHBIQZCMSV-SNVBAGLBSA-N -1 0 316.383 -0.033 20 0 DBADRM CC[C@H](NC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)C1CC1 ZINC001595228120 1017081504 /nfs/dbraw/zinc/08/15/04/1017081504.db2.gz CEROJWXFATZICQ-NWDGAFQWSA-N -1 0 312.366 -0.025 20 0 DBADRM CC[C@H](CS(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)OC ZINC001595203262 1017081551 /nfs/dbraw/zinc/08/15/51/1017081551.db2.gz PEWFBWZAHLCGRM-SECBINFHSA-N -1 0 318.355 -0.412 20 0 DBADRM CC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)C(=O)[O-] ZINC001595233217 1017081649 /nfs/dbraw/zinc/08/16/49/1017081649.db2.gz XHEXZWNVSZPLDM-BDAKNGLRSA-N -1 0 301.343 -0.628 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)N2CC3CC2(C(=O)[O-])C3)C1=O ZINC001595371680 1017083080 /nfs/dbraw/zinc/08/30/80/1017083080.db2.gz KTEINUBZZORBLI-KQZUMFKRSA-N -1 0 309.322 -0.218 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC001476595732 1010072900 /nfs/dbraw/zinc/07/29/00/1010072900.db2.gz YAPBLEFPVGDYHD-UHFFFAOYSA-N -1 0 309.374 -0.115 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(Cc2cc(C)on2)CC1 ZINC001476594551 1010073362 /nfs/dbraw/zinc/07/33/62/1010073362.db2.gz UICRVYINTJGPSU-UHFFFAOYSA-N -1 0 320.357 -0.239 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC001476594795 1010073947 /nfs/dbraw/zinc/07/39/47/1010073947.db2.gz BXSOBJBABNQUTP-IUCAKERBSA-N -1 0 316.387 -0.408 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC1(S(C)(=O)=O)CCC1 ZINC001476594750 1010074249 /nfs/dbraw/zinc/07/42/49/1010074249.db2.gz BBHKKKAHPNVAMP-UHFFFAOYSA-N -1 0 302.360 -0.796 20 0 DBADRM CCC1(Cn2cc(C(=O)N[C@@](C)(CO)C(=O)[O-])nn2)COC1 ZINC001595386057 1017083773 /nfs/dbraw/zinc/08/37/73/1017083773.db2.gz WWFQDQGXHHNNIQ-LBPRGKRZSA-N -1 0 312.326 -0.730 20 0 DBADRM CCC1(CC(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])COC1 ZINC001595372771 1017084353 /nfs/dbraw/zinc/08/43/53/1017084353.db2.gz UDWSVVSWHPKHRO-SNVBAGLBSA-N -1 0 319.379 -0.097 20 0 DBADRM CC[C@]1(C(=O)O[C@@H](C)c2cn(CC(=O)[O-])nn2)CCNC1=O ZINC001595368339 1017085020 /nfs/dbraw/zinc/08/50/20/1017085020.db2.gz GSAOUJKMZUQBSO-SDBXPKJASA-N -1 0 310.310 -0.117 20 0 DBADRM CC[C@H]1CN(CCC(=O)N(C)CC(=O)[O-])C[C@@H](C)S1(=O)=O ZINC001595486256 1017085925 /nfs/dbraw/zinc/08/59/25/1017085925.db2.gz CFNXYGNKRTUZLU-MNOVXSKESA-N -1 0 320.411 -0.183 20 0 DBADRM CC[C@H]1CC(=O)N(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1 ZINC001595406841 1017086466 /nfs/dbraw/zinc/08/64/66/1017086466.db2.gz AQUAPLHCWYUORC-WDEREUQCSA-N -1 0 318.395 -0.224 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@@H](CC)CO1 ZINC001595471498 1017086487 /nfs/dbraw/zinc/08/64/87/1017086487.db2.gz QMPZMRMJHYPYTH-AEJSXWLSSA-N -1 0 304.318 -0.059 20 0 DBADRM CC[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CCO1 ZINC001595406926 1017086759 /nfs/dbraw/zinc/08/67/59/1017086759.db2.gz CBOTYVUGPWLCQS-MXWKQRLJSA-N -1 0 319.379 -0.098 20 0 DBADRM CC[C@@H]1CC[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])O1 ZINC001595414333 1017087879 /nfs/dbraw/zinc/08/78/79/1017087879.db2.gz CPBITMSNDXMALI-OPRDCNLKSA-N -1 0 305.352 -0.346 20 0 DBADRM CC[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001595482432 1017088243 /nfs/dbraw/zinc/08/82/43/1017088243.db2.gz DDKHMVWPLMSJBV-SECBINFHSA-N -1 0 323.353 -0.391 20 0 DBADRM CC[C@@H]1COCCN1C(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001595500855 1017088775 /nfs/dbraw/zinc/08/87/75/1017088775.db2.gz SWSAQAJQRRGWHG-YGRLFVJLSA-N -1 0 314.338 -0.674 20 0 DBADRM CCCC(=O)NCC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001595527463 1017088846 /nfs/dbraw/zinc/08/88/46/1017088846.db2.gz JAMQITJTRIKMJJ-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC1CCN(C(=O)OC(C)C)CC1 ZINC001477902035 1010123025 /nfs/dbraw/zinc/12/30/25/1010123025.db2.gz CSJPCYWDPWMCNG-UHFFFAOYSA-N -1 0 316.358 -0.027 20 0 DBADRM COCCOC1(CNC(=O)NCC(=O)[N-]OC)CCOCC1 ZINC001478673990 1010158507 /nfs/dbraw/zinc/15/85/07/1010158507.db2.gz KSRFLLZHSCIDBF-UHFFFAOYSA-N -1 0 319.358 -0.825 20 0 DBADRM COC(OC)[C@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001449068025 1010193996 /nfs/dbraw/zinc/19/39/96/1010193996.db2.gz OTRVXMUBDVMFSG-QMMMGPOBSA-N -1 0 306.326 -0.188 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)CCC1CC1 ZINC001449075594 1010206897 /nfs/dbraw/zinc/20/68/97/1010206897.db2.gz UXDSPVDWJDJMQF-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@@H]1CC12CCC2 ZINC001449080505 1010212138 /nfs/dbraw/zinc/21/21/38/1010212138.db2.gz DRKAVSBVECLZGC-VIFPVBQESA-N -1 0 323.353 -0.546 20 0 DBADRM CN(CCNC(=O)Cc1cscn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598490262 1017284029 /nfs/dbraw/zinc/28/40/29/1017284029.db2.gz JAIPELKXNFRJRV-NXEZZACHSA-N -1 0 311.363 -0.019 20 0 DBADRM CN(CCNC(=O)CCc1cncn1C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598490483 1017284818 /nfs/dbraw/zinc/28/48/18/1017284818.db2.gz KVOQDUFNMYDWLZ-NEPJUHHUSA-N -1 0 322.365 -0.352 20 0 DBADRM CN(CCNC(=O)Cn1cncn1)c1ncc(C(=O)[O-])cn1 ZINC001598491387 1017285742 /nfs/dbraw/zinc/28/57/42/1017285742.db2.gz UJNRQTODDGKMFQ-UHFFFAOYSA-N -1 0 305.298 -0.981 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598540071 1017296758 /nfs/dbraw/zinc/29/67/58/1017296758.db2.gz LSNXOUACYRTOEP-LNFKQOIKSA-N -1 0 307.368 -0.349 20 0 DBADRM CN(CCNC(=O)c1cnccn1)c1ccnc(C(=O)[O-])n1 ZINC001598492807 1017287530 /nfs/dbraw/zinc/28/75/30/1017287530.db2.gz LERUDRYHHRPWBH-UHFFFAOYSA-N -1 0 302.294 -0.169 20 0 DBADRM CN(CCNC(=O)[C@]12C[C@H]1COC2)c1ccnc(C(=O)[O-])n1 ZINC001598493017 1017287816 /nfs/dbraw/zinc/28/78/16/1017287816.db2.gz XXXNINSXZZNCOC-XPTSAGLGSA-N -1 0 306.322 -0.236 20 0 DBADRM CN(CCNC(=O)c1cncnc1)c1ncc(C(=O)[O-])cn1 ZINC001598493073 1017288004 /nfs/dbraw/zinc/28/80/04/1017288004.db2.gz OWNFKYCJUWDUSI-UHFFFAOYSA-N -1 0 302.294 -0.169 20 0 DBADRM CN(Cc1cn(C)nn1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001598532738 1017296812 /nfs/dbraw/zinc/29/68/12/1017296812.db2.gz GEEWXKAZDYEPBC-UHFFFAOYSA-N -1 0 313.339 -0.328 20 0 DBADRM CN(C)c1noc(CNCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001598494966 1017289061 /nfs/dbraw/zinc/28/90/61/1017289061.db2.gz CURAEPAWFCCJPA-IUCAKERBSA-N -1 0 311.342 -0.596 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC001479462659 1010292688 /nfs/dbraw/zinc/29/26/88/1010292688.db2.gz BVYJCAFPVMHDLH-JQWIXIFHSA-N -1 0 315.370 -0.327 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)c1ccc(=O)[nH]n1 ZINC001598495793 1017290805 /nfs/dbraw/zinc/29/08/05/1017290805.db2.gz OFRSRIRPABJFDY-UHFFFAOYSA-N -1 0 318.293 -0.146 20 0 DBADRM CN(CCO)C(=O)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001598496608 1017291036 /nfs/dbraw/zinc/29/10/36/1017291036.db2.gz UMTUFQMNDWLKBX-UHFFFAOYSA-N -1 0 306.318 -0.280 20 0 DBADRM CN(CCNc1ccc2nccnc2n1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598495737 1017291255 /nfs/dbraw/zinc/29/12/55/1017291255.db2.gz NEQNEBXASVUKKV-UWVGGRQHSA-N -1 0 315.333 -0.011 20 0 DBADRM CN(CCNc1ncnc2c1cnn2C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598495858 1017291455 /nfs/dbraw/zinc/29/14/55/1017291455.db2.gz PLUMZDRXCXNYEU-BDAKNGLRSA-N -1 0 318.337 -0.046 20 0 DBADRM CN(CCNS(=O)(=O)CC1(C(=O)[O-])CC1)CC(F)F ZINC001598495383 1017291564 /nfs/dbraw/zinc/29/15/64/1017291564.db2.gz JSGMDNKGJVWFGF-UHFFFAOYSA-N -1 0 300.327 -0.033 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1c[nH]c(=O)n1C ZINC001598495405 1017291700 /nfs/dbraw/zinc/29/17/00/1017291700.db2.gz GPZJBTZFMMCEBY-UHFFFAOYSA-N -1 0 320.309 -0.780 20 0 DBADRM CN(Cc1ccccc1)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001598526885 1017296908 /nfs/dbraw/zinc/29/69/08/1017296908.db2.gz BLTNPWWQVGQIRY-CHWSQXEVSA-N -1 0 320.345 -0.061 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001598534655 1017296933 /nfs/dbraw/zinc/29/69/33/1017296933.db2.gz VGKFPTLBFOKJHP-ZETOZRRWSA-N -1 0 320.349 -0.252 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001598500786 1017293084 /nfs/dbraw/zinc/29/30/84/1017293084.db2.gz YMDVHJRIAMLWRX-UHFFFAOYSA-N -1 0 304.368 -0.232 20 0 DBADRM CN(CCc1cccs1)C(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001598501657 1017293353 /nfs/dbraw/zinc/29/33/53/1017293353.db2.gz UZJGCTQTGLAIPR-UHFFFAOYSA-N -1 0 312.347 -0.593 20 0 DBADRM CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001598503091 1017293568 /nfs/dbraw/zinc/29/35/68/1017293568.db2.gz CQCWBDUWCLASDP-JTQLQIEISA-N -1 0 310.306 -0.936 20 0 DBADRM CN(CCOCCNC(=O)c1ccn[nH]1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598498539 1017293724 /nfs/dbraw/zinc/29/37/24/1017293724.db2.gz ZMGCQIGHGADYOY-ZJUUUORDSA-N -1 0 324.337 -0.665 20 0 DBADRM CN(CCOCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1ncc[nH]1 ZINC001598497824 1017293833 /nfs/dbraw/zinc/29/38/33/1017293833.db2.gz LJAYNTNDRMHYAY-ZJUUUORDSA-N -1 0 324.337 -0.665 20 0 DBADRM CN(C[C@H]1CCCO1)C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001598503134 1017293941 /nfs/dbraw/zinc/29/39/41/1017293941.db2.gz GDLBFHGAXKLONR-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM CN(Cc1ccccc1)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001598526887 1017294803 /nfs/dbraw/zinc/29/48/03/1017294803.db2.gz BLTNPWWQVGQIRY-QWHCGFSZSA-N -1 0 320.345 -0.061 20 0 DBADRM CN(Cc1nncn1C)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001598541226 1017294933 /nfs/dbraw/zinc/29/49/33/1017294933.db2.gz PLDPRTVODSRQLJ-UHFFFAOYSA-N -1 0 302.356 -0.168 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)C1(n2cnnn2)CC1 ZINC001598514840 1017295205 /nfs/dbraw/zinc/29/52/05/1017295205.db2.gz QEGMCMGPJCGASD-UHFFFAOYSA-N -1 0 302.294 -0.086 20 0 DBADRM CN(Cc1cn(CC(=O)[O-])nn1)C(C)(C)CN1CCOCC1 ZINC001598533846 1017295451 /nfs/dbraw/zinc/29/54/51/1017295451.db2.gz UJJXJYOTHMEVEG-UHFFFAOYSA-N -1 0 311.386 -0.095 20 0 DBADRM CN(Cc1ccccc1F)C(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001598529455 1017295674 /nfs/dbraw/zinc/29/56/74/1017295674.db2.gz LBSAJNCIFMMKMT-UHFFFAOYSA-N -1 0 310.281 -0.558 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cc(Br)c[nH]c1=O ZINC001598520716 1017295825 /nfs/dbraw/zinc/29/58/25/1017295825.db2.gz HCUPQPDRGTVVOM-UHFFFAOYSA-N -1 0 304.100 -0.043 20 0 DBADRM CN(Cc1ccccn1)C(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001598531138 1017295977 /nfs/dbraw/zinc/29/59/77/1017295977.db2.gz WDZNIURQRISIKT-ZYHUDNBSSA-N -1 0 321.333 -0.354 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@H](O)CN(C)Cc2n[nH]c(=O)[n-]2)co1 ZINC001449183353 1010347268 /nfs/dbraw/zinc/34/72/68/1010347268.db2.gz BOYTVAAGRMRTEL-LLVKDONJSA-N -1 0 323.353 -0.023 20 0 DBADRM Cc1nnc(CC(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)[nH]1 ZINC001479770335 1010370310 /nfs/dbraw/zinc/37/03/10/1010370310.db2.gz LWZXIEUXMUIMRI-UHFFFAOYSA-N -1 0 308.346 -0.882 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C[C@H]1C[C@H]1C ZINC001449462970 1010481087 /nfs/dbraw/zinc/48/10/87/1010481087.db2.gz OIDUAOWSNNLOPB-RKDXNWHRSA-N -1 0 323.353 -0.093 20 0 DBADRM CCC(=O)N(C)C[C@@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001449474890 1010483271 /nfs/dbraw/zinc/48/32/71/1010483271.db2.gz WVERKGGNOXBFJN-VIFPVBQESA-N -1 0 311.342 -0.451 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](NCc1ccon1)C1CC1 ZINC001480062547 1010523682 /nfs/dbraw/zinc/52/36/82/1010523682.db2.gz KNALZUVZQHSZDL-JTQLQIEISA-N -1 0 322.325 -0.638 20 0 DBADRM CCCC(=O)N1CCC[C@H](C(=O)NCC[C@H](O)C(=O)[O-])C1 ZINC001595521827 1017089816 /nfs/dbraw/zinc/08/98/16/1017089816.db2.gz DNKRLFOAKPYUSO-QWRGUYRKSA-N -1 0 300.355 -0.023 20 0 DBADRM CCC[C@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)S(N)(=O)=O ZINC001595532128 1017090138 /nfs/dbraw/zinc/09/01/38/1017090138.db2.gz FGHCSXUJJSBYLW-DTWKUNHWSA-N -1 0 308.356 -0.854 20 0 DBADRM CCC[C@H](C(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-])S(N)(=O)=O ZINC001595531893 1017090280 /nfs/dbraw/zinc/09/02/80/1017090280.db2.gz AYMMGRZIMCXHRT-LPEHRKFASA-N -1 0 322.383 -0.466 20 0 DBADRM CCCC(=O)N1CC(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)C1 ZINC001595522021 1017090312 /nfs/dbraw/zinc/09/03/12/1017090312.db2.gz JEOOFLYVEHGGEL-STQMWFEESA-N -1 0 323.393 -0.138 20 0 DBADRM CCCC(=O)NCC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001595527210 1017090810 /nfs/dbraw/zinc/09/08/10/1017090810.db2.gz FDPGMFLUTYUXLR-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM CCC[C@H](C)N1C[C@@H](C(=O)N[C@@](C)(CO)C(=O)[O-])CC1=O ZINC001595579106 1017092194 /nfs/dbraw/zinc/09/21/94/1017092194.db2.gz QYUDEZSLZIFCOD-BHDSKKPTSA-N -1 0 300.355 -0.025 20 0 DBADRM CCC[C@H](C)N1C[C@H](C(=O)NCC[C@H](O)C(=O)[O-])CC1=O ZINC001595578355 1017093324 /nfs/dbraw/zinc/09/33/24/1017093324.db2.gz KIHGDIJDKGWVEQ-AXFHLTTASA-N -1 0 300.355 -0.025 20 0 DBADRM CCC[C@H](C)N1C[C@@H](C(=O)NCC(=O)NCC(=O)[O-])CC1=O ZINC001595580020 1017093401 /nfs/dbraw/zinc/09/34/01/1017093401.db2.gz ZLMYTUSFNKSPTK-UWVGGRQHSA-N -1 0 313.354 -0.660 20 0 DBADRM CCCCC[C@H](O)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001595691224 1017094132 /nfs/dbraw/zinc/09/41/32/1017094132.db2.gz TVPKWHYLZKXPLF-OUJBWJOFSA-N -1 0 321.395 -0.068 20 0 DBADRM CCC[C@@]1(CO)CCCN1C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001595616886 1017094812 /nfs/dbraw/zinc/09/48/12/1017094812.db2.gz HTZHFAFKBNGYJL-ZANVPECISA-N -1 0 304.318 -0.321 20 0 DBADRM CCCCC(=O)NC[C@H](C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001449814939 1010571228 /nfs/dbraw/zinc/57/12/28/1010571228.db2.gz PHNTUGLJDBJLTP-VIFPVBQESA-N -1 0 313.358 -0.157 20 0 DBADRM O=C(NCCn1cnnc1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001449825852 1010572154 /nfs/dbraw/zinc/57/21/54/1010572154.db2.gz PIHNCOVLMCYBPR-UHFFFAOYSA-N -1 0 315.293 -0.712 20 0 DBADRM Cc1cc(C(=O)N2CC(=O)N[C@H](C)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001449832110 1010574502 /nfs/dbraw/zinc/57/45/02/1010574502.db2.gz TWEIMXXWFBWCAH-SSDOTTSWSA-N -1 0 317.305 -0.295 20 0 DBADRM CCC[C@H]1CNCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001595624284 1017095430 /nfs/dbraw/zinc/09/54/30/1017095430.db2.gz ROWXNMFHZAUPHX-JTQLQIEISA-N -1 0 316.383 -0.270 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)Cn2cncn2)c1[O-] ZINC001449871402 1010585408 /nfs/dbraw/zinc/58/54/08/1010585408.db2.gz NTKNOJMKXCKUPH-MRVPVSSYSA-N -1 0 321.341 -0.708 20 0 DBADRM CCCCOCCNC(=O)CN1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001595771722 1017098604 /nfs/dbraw/zinc/09/86/04/1017098604.db2.gz IPBJYRICCZADRC-WCQYABFASA-N -1 0 302.371 -0.171 20 0 DBADRM CCCCN(CCO)C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001595744740 1017098705 /nfs/dbraw/zinc/09/87/05/1017098705.db2.gz NUVNHNSEMQUZPU-NSHDSACASA-N -1 0 316.354 -0.691 20 0 DBADRM CCCCNC(=O)NC(=O)CS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001595760270 1017098819 /nfs/dbraw/zinc/09/88/19/1017098819.db2.gz XZXIPFQBPLGBDX-QMMMGPOBSA-N -1 0 308.356 -0.252 20 0 DBADRM CCCCNC(=O)CN1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001595753656 1017098867 /nfs/dbraw/zinc/09/88/67/1017098867.db2.gz GKQNGKILLMEHIP-RYUDHWBXSA-N -1 0 311.382 -0.234 20 0 DBADRM CCCCNC(=O)Cc1noc(Cn2cc(C(=O)[O-])nn2)n1 ZINC001595754699 1017099206 /nfs/dbraw/zinc/09/92/06/1017099206.db2.gz UCMROHCQTRWSJV-UHFFFAOYSA-N -1 0 308.298 -0.134 20 0 DBADRM CCCCNC(=O)CN1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001595753652 1017099287 /nfs/dbraw/zinc/09/92/87/1017099287.db2.gz GKQNGKILLMEHIP-NEPJUHHUSA-N -1 0 311.382 -0.234 20 0 DBADRM CN1C(=O)CC[C@H](N2C(=O)[C@@H]3CC[C@@H](C(=O)[O-])CN3C2=O)C1=O ZINC001598549322 1017298293 /nfs/dbraw/zinc/29/82/93/1017298293.db2.gz ONZSNYLYIIOQFA-VGMNWLOBSA-N -1 0 323.305 -0.739 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1=O ZINC001598550098 1017298305 /nfs/dbraw/zinc/29/83/05/1017298305.db2.gz XQAUYQSZVUHEQO-IVZWLZJFSA-N -1 0 312.322 -0.480 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001598547913 1017298475 /nfs/dbraw/zinc/29/84/75/1017298475.db2.gz LUXJFJSVTKEAST-ZJUUUORDSA-N -1 0 312.322 -0.384 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1=O ZINC001598550131 1017298650 /nfs/dbraw/zinc/29/86/50/1017298650.db2.gz YPBDRYJWCGZWPM-JWUFEOHASA-N -1 0 309.322 -0.314 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)NCCCNc1ccnc(C(=O)[O-])n1 ZINC001598550406 1017298660 /nfs/dbraw/zinc/29/86/60/1017298660.db2.gz CZHPGMNUEOZZNT-VIFPVBQESA-N -1 0 321.337 -0.864 20 0 DBADRM CN(c1ncc(C(=O)[O-])cn1)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001598547785 1017298671 /nfs/dbraw/zinc/29/86/71/1017298671.db2.gz ZVEZGUYJEDTGFS-SECBINFHSA-N -1 0 317.309 -0.356 20 0 DBADRM CN1C(=O)C[C@H](C(=O)N[C@H](CO)C(=O)[O-])[C@@H]1c1cccnc1 ZINC001598548564 1017298798 /nfs/dbraw/zinc/29/87/98/1017298798.db2.gz DOGZIEWGLNEDFV-UMNHJUIQSA-N -1 0 307.306 -0.837 20 0 DBADRM CN1C(=O)C[C@H](C(=O)N2CC(O)(C(=O)[O-])C2)c2ccccc21 ZINC001598549435 1017298832 /nfs/dbraw/zinc/29/88/32/1017298832.db2.gz MZPHJWRESCYUHB-JTQLQIEISA-N -1 0 304.302 -0.205 20 0 DBADRM Cn1nc(NC(=O)N[C@H]2CCC(=O)N(C)C2=O)cc1C(=O)[O-] ZINC001598547946 1017298935 /nfs/dbraw/zinc/29/89/35/1017298935.db2.gz HGBNMEPYXRHUKF-LURJTMIESA-N -1 0 309.282 -0.613 20 0 DBADRM O=C(Cn1ccnc1)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001480336049 1010612366 /nfs/dbraw/zinc/61/23/66/1010612366.db2.gz ZGKQXBCPKZIOLD-LLVKDONJSA-N -1 0 319.369 -0.122 20 0 DBADRM CN1C[C@H](N2C(=O)[C@H]3C[C@H](C(=O)[O-])CCN3C2=O)CCC1=O ZINC001598568088 1017309674 /nfs/dbraw/zinc/30/96/74/1017309674.db2.gz NZTHEGRMAGGSPZ-OPRDCNLKSA-N -1 0 309.322 -0.265 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001598547910 1017299079 /nfs/dbraw/zinc/29/90/79/1017299079.db2.gz LUXJFJSVTKEAST-NXEZZACHSA-N -1 0 312.322 -0.384 20 0 DBADRM CN1C(=O)c2ccc(C(=O)N[C@@](C)(CO)C(=O)[O-])cc2C1=O ZINC001598556759 1017301300 /nfs/dbraw/zinc/30/13/00/1017301300.db2.gz MKYUTZPSHWONKR-AWEZNQCLSA-N -1 0 306.274 -0.522 20 0 DBADRM CN1C[C@@H](C(=O)NCc2cccc(OCC(=O)[O-])c2)NC1=O ZINC001598558216 1017301681 /nfs/dbraw/zinc/30/16/81/1017301681.db2.gz ACEBWKYOTDTSHP-NSHDSACASA-N -1 0 307.306 -0.210 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@@H](C(=O)[O-])c2ccsc2)C1=O ZINC001598552022 1017301785 /nfs/dbraw/zinc/30/17/85/1017301785.db2.gz ZYACZXKERVSMAY-SNVBAGLBSA-N -1 0 311.319 -0.116 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)C2=C[S@](=O)CCC2)CC1=O ZINC001598561207 1017302785 /nfs/dbraw/zinc/30/27/85/1017302785.db2.gz AWHWSUFOFMWQMD-GWNMQOMSSA-N -1 0 300.336 -0.833 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@H](O)CC(=O)[O-])c2ccccc2C1=O ZINC001598558759 1017302860 /nfs/dbraw/zinc/30/28/60/1017302860.db2.gz DVLNJAAKEZVIBN-BXKDBHETSA-N -1 0 306.318 -0.192 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc3oc(=O)[nH]c3c2)CC1=O ZINC001598561462 1017303046 /nfs/dbraw/zinc/30/30/46/1017303046.db2.gz AVTJCAYSAAXFJU-VIFPVBQESA-N -1 0 319.273 -0.099 20 0 DBADRM CN1C[C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])NC1=O ZINC001598561581 1017303061 /nfs/dbraw/zinc/30/30/61/1017303061.db2.gz DSYOJWUWOUAKCY-MNOVXSKESA-N -1 0 309.297 -0.039 20 0 DBADRM CN1C[C@H](C(=O)N2CCc3ccc(C(=O)[O-])nc3C2)NC1=O ZINC001598561021 1017303166 /nfs/dbraw/zinc/30/31/66/1017303166.db2.gz XBPJVRLWZDONPO-LLVKDONJSA-N -1 0 304.306 -0.312 20 0 DBADRM CN1CC(=O)N(CC(=O)NC2(C(=O)[O-])CCSCC2)C1=O ZINC001598559639 1017303398 /nfs/dbraw/zinc/30/33/98/1017303398.db2.gz ZZEWJOPCVVGBAD-UHFFFAOYSA-N -1 0 315.351 -0.653 20 0 DBADRM CN1C[C@H](O)C[C@]1(C)C(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC001598568050 1017309867 /nfs/dbraw/zinc/30/98/67/1017309867.db2.gz BCQDBLCKSLUVKM-DFAYQTQMSA-N -1 0 313.379 -0.290 20 0 DBADRM CN1C[C@H](C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)NCC1=O ZINC001598560991 1017304118 /nfs/dbraw/zinc/30/41/18/1017304118.db2.gz WPRZVCRQFDVWRY-GHMZBOCLSA-N -1 0 311.382 -0.234 20 0 DBADRM CCCn1nnnc1CN[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001480448064 1010644101 /nfs/dbraw/zinc/64/41/01/1010644101.db2.gz OJLRGCSGPSDXSJ-QMMMGPOBSA-N -1 0 322.373 -0.272 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)C[C@H](O)CC(C)(C)C)CC1=O ZINC001598561558 1017304298 /nfs/dbraw/zinc/30/42/98/1017304298.db2.gz DNWVXNREICIYEO-VHSXEESVSA-N -1 0 300.355 -0.073 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CCO)(NC(=O)C3(C)CC3)C2)c1[O-] ZINC001450174186 1010656265 /nfs/dbraw/zinc/65/62/65/1010656265.db2.gz RPEDRWWUBZUKLW-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C[C@H](O)C[C@@](C)(O)C2CC2)CC1=O ZINC001598563896 1017308494 /nfs/dbraw/zinc/30/84/94/1017308494.db2.gz QBDKZKDSWNZHPQ-JTNHKYCSSA-N -1 0 300.355 -0.874 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C[C@@H]2CCCS(=O)(=O)C2)CC1=O ZINC001598564480 1017308542 /nfs/dbraw/zinc/30/85/42/1017308542.db2.gz VEQRYEFEIDBXFK-UWVGGRQHSA-N -1 0 304.368 -0.962 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@H]2CCCN(C3CC3)C2=O)CC1=O ZINC001598564327 1017308641 /nfs/dbraw/zinc/30/86/41/1017308641.db2.gz XOZRVZOSAXALHG-QWRGUYRKSA-N -1 0 323.349 -0.859 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)COCc2cccnc2)CC1=O ZINC001598565218 1017308809 /nfs/dbraw/zinc/30/88/09/1017308809.db2.gz QVLSYFPCAWDXOX-NSHDSACASA-N -1 0 307.306 -0.648 20 0 DBADRM CN1C[C@@H](CCNS(=O)(=O)C2(C(=O)[O-])CCC2)CC1=O ZINC001598567046 1017309559 /nfs/dbraw/zinc/30/95/59/1017309559.db2.gz PHEJUDAZKJAHJD-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CCn1ncn([N-]C(=O)c2ncc(C(N)=O)cc2Cl)c1=O ZINC001450457045 1010732973 /nfs/dbraw/zinc/73/29/73/1010732973.db2.gz AFNVJXSUGJVNCS-UHFFFAOYSA-N -1 0 310.701 -0.404 20 0 DBADRM CCCC(=O)NC[C@@H]1[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001450470831 1010737597 /nfs/dbraw/zinc/73/75/97/1010737597.db2.gz ONCMFHXPZNFFDT-OWUUHHOZSA-N -1 0 323.353 -0.690 20 0 DBADRM O=C(CCCc1nnn[n-]1)NC[C@@H]1CCCS(=O)(=O)C1 ZINC001450647012 1010778843 /nfs/dbraw/zinc/77/88/43/1010778843.db2.gz MJILISDKRIZUCO-VIFPVBQESA-N -1 0 301.372 -0.537 20 0 DBADRM Cc1cc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)sn1 ZINC001480886822 1010792717 /nfs/dbraw/zinc/79/27/17/1010792717.db2.gz WBEAYQJBPHWOBF-UHFFFAOYSA-N -1 0 324.366 -0.090 20 0 DBADRM CO[C@H](C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1)[C@H]1CCOC1 ZINC001480896985 1010796819 /nfs/dbraw/zinc/79/68/19/1010796819.db2.gz ZBDFJZRBFNSKFX-ONGXEEELSA-N -1 0 313.358 -0.890 20 0 DBADRM CCC(=O)NC[C@H](CC)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001450804260 1010801132 /nfs/dbraw/zinc/80/11/32/1010801132.db2.gz YNTICBUGOQEWME-QMMMGPOBSA-N -1 0 311.342 -0.364 20 0 DBADRM CCc1cnc(CN(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001480940450 1010810861 /nfs/dbraw/zinc/81/08/61/1010810861.db2.gz HIBWVVJOSWHEMF-UHFFFAOYSA-N -1 0 324.341 -0.512 20 0 DBADRM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001450891914 1010813477 /nfs/dbraw/zinc/81/34/77/1010813477.db2.gz JQBJPWDLIISJQB-ZNSHCXBVSA-N -1 0 322.365 -0.059 20 0 DBADRM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001450891910 1010813594 /nfs/dbraw/zinc/81/35/94/1010813594.db2.gz JQBJPWDLIISJQB-UKKRHICBSA-N -1 0 322.365 -0.059 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1nccn1C ZINC001480986539 1010822338 /nfs/dbraw/zinc/82/23/38/1010822338.db2.gz ZHGDMUFOFUDMJT-UHFFFAOYSA-N -1 0 321.341 -0.732 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001481025020 1010829191 /nfs/dbraw/zinc/82/91/91/1010829191.db2.gz VVTVJQHLIYHDAK-PSASIEDQSA-N -1 0 310.358 -0.885 20 0 DBADRM CN(CCNC(=O)OC(C)(C)C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001450996955 1010833381 /nfs/dbraw/zinc/83/33/81/1010833381.db2.gz VIFFHKOWKUOMNC-UHFFFAOYSA-N -1 0 313.314 -0.121 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)[C@H]2CCC(=O)N2)c1[O-] ZINC001450997931 1010834567 /nfs/dbraw/zinc/83/45/67/1010834567.db2.gz NPTKOZVBHZPJBI-VXNVDRBHSA-N -1 0 323.353 -0.721 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C2CC2)[C@@H]2CCNC2=O)c1[O-] ZINC001481165470 1010850671 /nfs/dbraw/zinc/85/06/71/1010850671.db2.gz RHBQZOLEBYKUBP-SNVBAGLBSA-N -1 0 307.354 -0.494 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)c1cn[nH]c(=O)c1 ZINC001481172419 1010853398 /nfs/dbraw/zinc/85/33/98/1010853398.db2.gz IBVCRKSYAXLJCN-UHFFFAOYSA-N -1 0 319.325 -0.600 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)c2cccn2C)c1[O-] ZINC001451322828 1010890216 /nfs/dbraw/zinc/89/02/16/1010890216.db2.gz PHBOALPILJVLKR-VIFPVBQESA-N -1 0 321.337 -0.717 20 0 DBADRM CO[C@@H](C)CC(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001481548762 1010905579 /nfs/dbraw/zinc/90/55/79/1010905579.db2.gz IREMJMSBJUBIIL-JTQLQIEISA-N -1 0 319.365 -0.252 20 0 DBADRM CCCC(=O)N[C@@H](CO)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001451390359 1010926672 /nfs/dbraw/zinc/92/66/72/1010926672.db2.gz HWQHOERCUMKQFQ-SECBINFHSA-N -1 0 321.337 -0.970 20 0 DBADRM C[C@@H](CNC(=O)c1c[n-]n2c1nccc2=O)CNC(=O)C1CC1 ZINC001451454539 1010955543 /nfs/dbraw/zinc/95/55/43/1010955543.db2.gz LJFAFQKMDJJQCS-SECBINFHSA-N -1 0 317.349 -0.085 20 0 DBADRM COCCC(=O)N(C)C[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001451775582 1011033719 /nfs/dbraw/zinc/03/37/19/1011033719.db2.gz DTFPRSRGHNTPGR-SECBINFHSA-N -1 0 314.342 -0.991 20 0 DBADRM COCCC(=O)N(C)C[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001451775585 1011033814 /nfs/dbraw/zinc/03/38/14/1011033814.db2.gz DTFPRSRGHNTPGR-VIFPVBQESA-N -1 0 314.342 -0.991 20 0 DBADRM CC(C)(C)[C@H](NC(=O)CN1CCCNC1=O)c1nc(=O)o[n-]1 ZINC001452148534 1011115669 /nfs/dbraw/zinc/11/56/69/1011115669.db2.gz KELQBVZPTGAZLP-SECBINFHSA-N -1 0 311.342 -0.018 20 0 DBADRM CN(CCN(C)C(=O)[C@]1(F)CCOC1)Cc1n[nH]c(=O)[n-]1 ZINC001482623900 1011232235 /nfs/dbraw/zinc/23/22/35/1011232235.db2.gz MPHSEOJRJXPAQP-LBPRGKRZSA-N -1 0 301.322 -0.471 20 0 DBADRM CC[C@H](F)C(=O)N[C@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001452647388 1011333915 /nfs/dbraw/zinc/33/39/15/1011333915.db2.gz IHIZYIHUGLMMHX-APPZFPTMSA-N -1 0 314.317 -0.532 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001452647398 1011334682 /nfs/dbraw/zinc/33/46/82/1011334682.db2.gz IHIZYIHUGLMMHX-VXNVDRBHSA-N -1 0 314.317 -0.532 20 0 DBADRM CCC[C@@H](C)C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001452766731 1011393695 /nfs/dbraw/zinc/39/36/95/1011393695.db2.gz VXQPGSJQYSVWPQ-SFYZADRCSA-N -1 0 311.342 -0.047 20 0 DBADRM CN1C[C@@H](NC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)CCC1=O ZINC001598568715 1017311624 /nfs/dbraw/zinc/31/16/24/1017311624.db2.gz UYOBVRLVDTYNIF-VIFPVBQESA-N -1 0 321.337 -0.163 20 0 DBADRM CN1CC[C@](C)(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C1=O ZINC001598577452 1017313893 /nfs/dbraw/zinc/31/38/93/1017313893.db2.gz FLPKICXOEPPJTO-KBPBESRZSA-N -1 0 309.322 -0.313 20 0 DBADRM CN1CC[C@H](C(=O)OCc2cccc(C(=O)[O-])n2)S1(=O)=O ZINC001598577260 1017315329 /nfs/dbraw/zinc/31/53/29/1017315329.db2.gz BYGXXZVLMRSMCZ-SNVBAGLBSA-N -1 0 314.319 -0.143 20 0 DBADRM CN1CCC(=O)Nc2cc(C(=O)N[C@@H](CO)C(=O)[O-])ccc21 ZINC001598578136 1017317024 /nfs/dbraw/zinc/31/70/24/1017317024.db2.gz JOGGVGBYZJKJDB-JTQLQIEISA-N -1 0 307.306 -0.360 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)S1(=O)=O ZINC001598579778 1017317222 /nfs/dbraw/zinc/31/72/22/1017317222.db2.gz VQPSKAXLAVZPPD-MVCUBJFGSA-N -1 0 316.379 -0.364 20 0 DBADRM CN1CC[C@@H](C(=O)O[C@H]2C=CC[C@@H](C(=O)[O-])C2)S1(=O)=O ZINC001598579816 1017317888 /nfs/dbraw/zinc/31/78/88/1017317888.db2.gz XFNGSWGGXNTUDE-UTLUCORTSA-N -1 0 303.336 -0.017 20 0 DBADRM CN1CC[C@@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1=O ZINC001598584433 1017320616 /nfs/dbraw/zinc/32/06/16/1017320616.db2.gz URSHYWYHUYXWAY-MRVPVSSYSA-N -1 0 315.351 -0.140 20 0 DBADRM CN([C@H]1CCN(C)C1=O)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598584759 1017321012 /nfs/dbraw/zinc/32/10/12/1017321012.db2.gz FYKWKFIPOUXCRS-JTQLQIEISA-N -1 0 313.335 -0.369 20 0 DBADRM CC(=O)N[C@H]1CCCC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001453017730 1011493202 /nfs/dbraw/zinc/49/32/02/1011493202.db2.gz OTCKIDQVDUBBPM-UWVGGRQHSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNCc2nnn(C)n2)c1[O-] ZINC001482823671 1011496660 /nfs/dbraw/zinc/49/66/60/1011496660.db2.gz MOSLDZGUYDBKCS-ZETCQYMHSA-N -1 0 308.346 -0.755 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1C(=O)c1ccc[nH]1 ZINC001453219579 1011561643 /nfs/dbraw/zinc/56/16/43/1011561643.db2.gz BECNGMTULPQWHP-QMMMGPOBSA-N -1 0 320.309 -0.952 20 0 DBADRM CS(=O)(=O)CC1(CCNC(=O)CCCc2nnn[n-]2)CC1 ZINC001453341823 1011627365 /nfs/dbraw/zinc/62/73/65/1011627365.db2.gz SZUYJPJLYPRSTG-UHFFFAOYSA-N -1 0 315.399 -0.147 20 0 DBADRM O=C(CCN1CCCC1=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001483095706 1011684266 /nfs/dbraw/zinc/68/42/66/1011684266.db2.gz DXSQGTOXACJMNK-UPHRSURJSA-N -1 0 322.369 -0.715 20 0 DBADRM CC(C)(c1nnc(C(=O)[N-]N2CCOC2=O)o1)S(C)(=O)=O ZINC001453477797 1011693041 /nfs/dbraw/zinc/69/30/41/1011693041.db2.gz IJXZVRUOJYXDLQ-UHFFFAOYSA-N -1 0 318.311 -0.554 20 0 DBADRM CC(C)C(=O)N1CC[C@@](C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001453889986 1011830309 /nfs/dbraw/zinc/83/03/09/1011830309.db2.gz LYPPGMHYTWWULG-CYBMUJFWSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(C)C(=O)N1CC[C@](C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001453889991 1011830571 /nfs/dbraw/zinc/83/05/71/1011830571.db2.gz LYPPGMHYTWWULG-ZDUSSCGKSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1cc(=O)c(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)c[nH]1 ZINC001483402022 1011866518 /nfs/dbraw/zinc/86/65/18/1011866518.db2.gz OGYWXSHPXPFEHF-SECBINFHSA-N -1 0 320.353 -0.243 20 0 DBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N(C)c2nnn[n-]2)c1 ZINC001454156028 1011877373 /nfs/dbraw/zinc/87/73/73/1011877373.db2.gz ALWLSFVNSBSKKC-UHFFFAOYSA-N -1 0 313.343 -0.509 20 0 DBADRM CC1(C(=O)N[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C2CC2)CC1 ZINC001454182271 1011883906 /nfs/dbraw/zinc/88/39/06/1011883906.db2.gz WUSYFUUTOGDHBU-SECBINFHSA-N -1 0 323.353 -0.500 20 0 DBADRM CC1=C(C(=O)NCc2nc([O-])cc(=O)[nH]2)S(=O)(=O)CCO1 ZINC001454192642 1011885518 /nfs/dbraw/zinc/88/55/18/1011885518.db2.gz ZNQIPWPTFIRPKR-UHFFFAOYSA-N -1 0 315.307 -0.820 20 0 DBADRM O=C(CNC(=O)c1cccs1)NCc1nc([O-])cc(=O)[nH]1 ZINC001454196853 1011885536 /nfs/dbraw/zinc/88/55/36/1011885536.db2.gz UHEJYWIJRGRPQK-UHFFFAOYSA-N -1 0 308.319 -0.005 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001595783949 1017100974 /nfs/dbraw/zinc/10/09/74/1017100974.db2.gz WNFKTOIYDTYNSV-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM CCCN(C)CC(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001595834737 1017101471 /nfs/dbraw/zinc/10/14/71/1017101471.db2.gz CRAKIOSRQKCILL-UHFFFAOYSA-N -1 0 320.411 -0.134 20 0 DBADRM CCCN(C(=O)c1cc(C(=O)[O-])on1)[C@H]1CC(=O)N(C)C1=O ZINC001595824482 1017101519 /nfs/dbraw/zinc/10/15/19/1017101519.db2.gz JHJXFZFLSZUNNH-QMMMGPOBSA-N -1 0 309.278 -0.018 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001595783952 1017101576 /nfs/dbraw/zinc/10/15/76/1017101576.db2.gz WRWVTWTTWOVNPJ-JTQLQIEISA-N -1 0 317.367 -0.264 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N(OC)[C@@H](C)CC(=O)[O-] ZINC001595787207 1017101613 /nfs/dbraw/zinc/10/16/13/1017101613.db2.gz GWDRNKUWDKNFGO-VIFPVBQESA-N -1 0 310.372 -0.041 20 0 DBADRM CCCN(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001595882639 1017103564 /nfs/dbraw/zinc/10/35/64/1017103564.db2.gz KFRYBNDSYHSCJR-JZRPKSSGSA-N -1 0 324.377 -0.046 20 0 DBADRM O=C(Cc1cccnc1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001483644540 1012001349 /nfs/dbraw/zinc/00/13/49/1012001349.db2.gz UEFKXVALFSRKBY-NSHDSACASA-N -1 0 302.338 -0.162 20 0 DBADRM CCCN1C[C@@H](C(=O)OCCc2cn(CC(=O)[O-])nn2)CC1=O ZINC001595897274 1017106780 /nfs/dbraw/zinc/10/67/80/1017106780.db2.gz XVGPNQYFZFHGSJ-JTQLQIEISA-N -1 0 324.337 -0.293 20 0 DBADRM CCCNC(=O)NC(=O)CN1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC001595925981 1017107179 /nfs/dbraw/zinc/10/71/79/1017107179.db2.gz DKRSSPZUKPUPAG-NOZJJQNGSA-N -1 0 301.343 -0.214 20 0 DBADRM CCCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001595915185 1017107266 /nfs/dbraw/zinc/10/72/66/1017107266.db2.gz AWBGZHCWLLTKDV-QMMMGPOBSA-N -1 0 324.337 -0.307 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H](C)CNC(=O)C1CCC1 ZINC001454536600 1012026895 /nfs/dbraw/zinc/02/68/95/1012026895.db2.gz OLQMVTVLSFLEJL-SSDOTTSWSA-N -1 0 324.337 -0.069 20 0 DBADRM C[C@@H](CNC(=O)C1CCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001454536947 1012027133 /nfs/dbraw/zinc/02/71/33/1012027133.db2.gz UJLDXEKIXUOYHZ-QMMMGPOBSA-N -1 0 308.338 -0.480 20 0 DBADRM CCCN1C[C@@H](CNC(=O)Cn2ccc(C(=O)[O-])n2)CC1=O ZINC001595901783 1017107721 /nfs/dbraw/zinc/10/77/21/1017107721.db2.gz MQSQYWILJWAEAO-SNVBAGLBSA-N -1 0 308.338 -0.044 20 0 DBADRM O=C(Cc1cnn2c1CCCC2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454554297 1012032297 /nfs/dbraw/zinc/03/22/97/1012032297.db2.gz PXXMQYSQXMQBMK-GFCCVEGCSA-N -1 0 317.353 -0.125 20 0 DBADRM CCCN1C[C@@H](C(=O)N2CCOC[C@H]2c2nnn[n-]2)CC1=O ZINC001454551892 1012033321 /nfs/dbraw/zinc/03/33/21/1012033321.db2.gz BXLWLAONGFVSHZ-UWVGGRQHSA-N -1 0 308.342 -0.642 20 0 DBADRM CCOCCn1cc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)cn1 ZINC001454552709 1012033531 /nfs/dbraw/zinc/03/35/31/1012033531.db2.gz GWILQJJWNJBKPW-NSHDSACASA-N -1 0 321.341 -0.354 20 0 DBADRM CCCN1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1=O ZINC001595909772 1017108315 /nfs/dbraw/zinc/10/83/15/1017108315.db2.gz QWQYITHUHCLYOC-UHFFFAOYSA-N -1 0 309.326 -0.553 20 0 DBADRM CCCN1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1=O ZINC001595910159 1017108450 /nfs/dbraw/zinc/10/84/50/1017108450.db2.gz ZEXKHHRAOCLFBR-UHFFFAOYSA-N -1 0 321.399 -0.418 20 0 DBADRM C[C@H](C(=O)N1CCOC[C@H]1c1nnn[n-]1)[C@@H](C)S(C)(=O)=O ZINC001454556592 1012036214 /nfs/dbraw/zinc/03/62/14/1012036214.db2.gz XOHVWDBXXZKTIH-YIZRAAEISA-N -1 0 317.371 -0.831 20 0 DBADRM Cc1sc(=O)n(CC(=O)N2CCOC[C@H]2c2nnn[n-]2)c1C ZINC001454555548 1012037571 /nfs/dbraw/zinc/03/75/71/1012037571.db2.gz MAKHGUSDWUPGHT-VIFPVBQESA-N -1 0 324.366 -0.360 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)c2ccnnc2)c1[O-] ZINC001454595404 1012058214 /nfs/dbraw/zinc/05/82/14/1012058214.db2.gz PEHGYNKVZKWPKF-SSDOTTSWSA-N -1 0 304.310 -0.238 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCC1(C)C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001454721679 1012113261 /nfs/dbraw/zinc/11/32/61/1012113261.db2.gz CHFVIUKVUGTKSL-JGVFFNPUSA-N -1 0 323.353 -0.047 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2C[C@@H](CO)C2)c1 ZINC001454744255 1012119896 /nfs/dbraw/zinc/11/98/96/1012119896.db2.gz SAWRTGPNWYLINJ-OCAPTIKFSA-N -1 0 300.336 -0.460 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)[C@@H]1C[C@]12CCOC2 ZINC001483782539 1012137604 /nfs/dbraw/zinc/13/76/04/1012137604.db2.gz KFVJTDFYCWUVGD-ZANVPECISA-N -1 0 307.354 -0.325 20 0 DBADRM CC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001454836715 1012144096 /nfs/dbraw/zinc/14/40/96/1012144096.db2.gz OQEULXVNSAIRIZ-SNVBAGLBSA-N -1 0 323.353 -0.862 20 0 DBADRM COC(=O)C1=NO[C@]2(CCN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC001454918277 1012163201 /nfs/dbraw/zinc/16/32/01/1012163201.db2.gz CZVNYVCSDOKUEM-CYBMUJFWSA-N -1 0 308.294 -0.042 20 0 DBADRM O=C(N[C@@H]1COCC[C@H]1O)c1nc[n-]c(=O)c1Br ZINC001455007011 1012186244 /nfs/dbraw/zinc/18/62/44/1012186244.db2.gz UHEGNXHOEUZQDU-PHDIDXHHSA-N -1 0 318.127 -0.176 20 0 DBADRM CN(C(=O)CCc1cncn1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001483890474 1012189995 /nfs/dbraw/zinc/18/99/95/1012189995.db2.gz TWQAUHFEGQXLOA-UHFFFAOYSA-N -1 0 319.369 -0.481 20 0 DBADRM C[C@H](C(=O)N1CCC(c2nnn[n-]2)CC1)N1C(=O)CCC1=O ZINC001455023998 1012192007 /nfs/dbraw/zinc/19/20/07/1012192007.db2.gz YBDWLVUTSYOJKS-MRVPVSSYSA-N -1 0 306.326 -0.557 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)N1CCC(c2nnn[n-]2)CC1 ZINC001455023961 1012192962 /nfs/dbraw/zinc/19/29/62/1012192962.db2.gz XUNXYWISCKHQHI-UHFFFAOYSA-N -1 0 306.326 -0.555 20 0 DBADRM C[C@H](CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC1 ZINC001455062682 1012202745 /nfs/dbraw/zinc/20/27/45/1012202745.db2.gz ACLDKPNACIHDBH-MRVPVSSYSA-N -1 0 323.353 -0.364 20 0 DBADRM CN(CCNC(=O)C(F)F)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001455134192 1012230832 /nfs/dbraw/zinc/23/08/32/1012230832.db2.gz MFCAGQNVHXVVLJ-UHFFFAOYSA-N -1 0 321.284 -0.691 20 0 DBADRM CS(=O)(=O)c1cccnc1C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001455135834 1012231872 /nfs/dbraw/zinc/23/18/72/1012231872.db2.gz WCTJCQHVJCSJCR-MRVPVSSYSA-N -1 0 322.350 -0.372 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001455149321 1012240376 /nfs/dbraw/zinc/24/03/76/1012240376.db2.gz SDEWSMZMVZUPJF-BDAKNGLRSA-N -1 0 308.338 -0.670 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001455150753 1012242004 /nfs/dbraw/zinc/24/20/04/1012242004.db2.gz ZEELDPJLGUKNFI-MRVPVSSYSA-N -1 0 311.342 -0.863 20 0 DBADRM NC(=O)CN(C(=O)CSc1n[nH]c(=O)[n-]1)C1CCOCC1 ZINC001455257625 1012308193 /nfs/dbraw/zinc/30/81/93/1012308193.db2.gz JMKWKOYHNXAICD-UHFFFAOYSA-N -1 0 315.355 -0.905 20 0 DBADRM CCC(CC)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001455371911 1012366100 /nfs/dbraw/zinc/36/61/00/1012366100.db2.gz ZATMXLOMTKKYFD-UHFFFAOYSA-N -1 0 311.342 -0.093 20 0 DBADRM O=C(CC(F)(F)F)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484208929 1012376360 /nfs/dbraw/zinc/37/63/60/1012376360.db2.gz NCWQJOXYKIAPRP-JTQLQIEISA-N -1 0 323.275 -0.484 20 0 DBADRM CC1CC(C(=O)NC[C@@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001484212341 1012382691 /nfs/dbraw/zinc/38/26/91/1012382691.db2.gz QHQCBTAPISSVEI-FDZGAKKTSA-N -1 0 309.370 -0.391 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc[nH]c1 ZINC001484219884 1012403784 /nfs/dbraw/zinc/40/37/84/1012403784.db2.gz IWXJCLAOVNRGRY-ZDUSSCGKSA-N -1 0 306.326 -0.795 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001455509295 1012425307 /nfs/dbraw/zinc/42/53/07/1012425307.db2.gz LJCOGKSNAJSPIV-RKDXNWHRSA-N -1 0 311.342 -0.690 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@@H]1CC1(C)C ZINC001455624606 1012462400 /nfs/dbraw/zinc/46/24/00/1012462400.db2.gz BIDUAOWALMHKML-QMMMGPOBSA-N -1 0 323.353 -0.093 20 0 DBADRM O=C(C=Cc1ccco1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484256151 1012469208 /nfs/dbraw/zinc/46/92/08/1012469208.db2.gz ZXNZZBSGRKOPPV-ONEGZZNKSA-N -1 0 319.321 -0.520 20 0 DBADRM COC[C@H](NC(=O)[C@@H]1CCc2nnc(C)n2C1)c1nnn[n-]1 ZINC001455726747 1012492475 /nfs/dbraw/zinc/49/24/75/1012492475.db2.gz DSRDLZGFEUVGDU-BDAKNGLRSA-N -1 0 306.330 -0.834 20 0 DBADRM COC[C@H](NC(=O)c1cccc(-n2cccn2)n1)c1nnn[n-]1 ZINC001455729128 1012494310 /nfs/dbraw/zinc/49/43/10/1012494310.db2.gz LPZRNRFEJGHEFP-JTQLQIEISA-N -1 0 314.309 -0.102 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001455742935 1012499732 /nfs/dbraw/zinc/49/97/32/1012499732.db2.gz KYNRTMDSAXNIDV-HBNTYKKESA-N -1 0 306.370 -0.105 20 0 DBADRM CS(=O)(=O)CCCC(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001455745370 1012500870 /nfs/dbraw/zinc/50/08/70/1012500870.db2.gz SLHUJRZOFBIFQS-JTQLQIEISA-N -1 0 315.399 -0.194 20 0 DBADRM CCCN(CCNC(=O)C1CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001455772270 1012514616 /nfs/dbraw/zinc/51/46/16/1012514616.db2.gz RWUXUDNMMFZAPG-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)c1cn[nH]n1 ZINC001455801453 1012521814 /nfs/dbraw/zinc/52/18/14/1012521814.db2.gz PRNBRLPGUIATKZ-UHFFFAOYSA-N -1 0 321.341 -0.176 20 0 DBADRM CCCC(=O)NCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001455850599 1012527792 /nfs/dbraw/zinc/52/77/92/1012527792.db2.gz GMEZPOLVCCZNFA-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)COCC3CC3)C2)c1[O-] ZINC001456211533 1012579678 /nfs/dbraw/zinc/57/96/78/1012579678.db2.gz MFGNKDGHKUZLMB-UHFFFAOYSA-N -1 0 308.338 -0.209 20 0 DBADRM C[C@@]1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCNC1=O ZINC001456276124 1012621381 /nfs/dbraw/zinc/62/13/81/1012621381.db2.gz HIGZSHZAQLFMSQ-GFCCVEGCSA-N -1 0 313.335 -0.952 20 0 DBADRM CC[C@@H](F)C(=O)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484439870 1012647358 /nfs/dbraw/zinc/64/73/58/1012647358.db2.gz ILKUMJJCOAHANZ-NOZJJQNGSA-N -1 0 315.349 -0.299 20 0 DBADRM CCC[C@@H](C)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001456350533 1012665966 /nfs/dbraw/zinc/66/59/66/1012665966.db2.gz FAFNLBZYHNZRHD-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC2(CCNC(=O)O2)CC1 ZINC001456568335 1012758608 /nfs/dbraw/zinc/75/86/08/1012758608.db2.gz QCDLVOHAYODDBG-UHFFFAOYSA-N -1 0 311.298 -0.820 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1cc(S(N)(=O)=O)sc1C ZINC001456584643 1012765407 /nfs/dbraw/zinc/76/54/07/1012765407.db2.gz AENKHRASLWOQOJ-UHFFFAOYSA-N -1 0 307.353 -0.889 20 0 DBADRM COCCCN1CCOC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001484594124 1012792770 /nfs/dbraw/zinc/79/27/70/1012792770.db2.gz QDSZMWDEUIBFLC-NSHDSACASA-N -1 0 312.370 -0.109 20 0 DBADRM CCCCC(=O)NC[C@H](CC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001456701330 1012798073 /nfs/dbraw/zinc/79/80/73/1012798073.db2.gz LOSMSGKUSZJENK-VIFPVBQESA-N -1 0 313.358 -0.110 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC1CC1 ZINC001456876968 1012828551 /nfs/dbraw/zinc/82/85/51/1012828551.db2.gz FIVKTBFXUNYGCZ-MRVPVSSYSA-N -1 0 309.326 -0.293 20 0 DBADRM CCn1cc(C(=O)N(C)CCCN(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001484763810 1012851653 /nfs/dbraw/zinc/85/16/53/1012851653.db2.gz UCPRVIUWRWONHW-UHFFFAOYSA-N -1 0 322.373 -0.284 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)c2ncc[nH]2)c1[O-] ZINC001457310422 1012870738 /nfs/dbraw/zinc/87/07/38/1012870738.db2.gz OLUVCUWWMXFMHG-ZETCQYMHSA-N -1 0 306.326 -0.057 20 0 DBADRM CCN1C[C@H](S(=O)(=O)NCCSCC(=O)[O-])CC1=O ZINC001596402722 1017137407 /nfs/dbraw/zinc/13/74/07/1017137407.db2.gz RGORUNQNZMHYCN-MRVPVSSYSA-N -1 0 310.397 -0.656 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1=O ZINC001596402652 1017137420 /nfs/dbraw/zinc/13/74/20/1017137420.db2.gz PEBMIGOEFJWJOX-VIFPVBQESA-N -1 0 304.368 -0.076 20 0 DBADRM CCCNS(=O)(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001595936133 1017109512 /nfs/dbraw/zinc/10/95/12/1017109512.db2.gz WOFOUJIMAJZVGJ-UHFFFAOYSA-N -1 0 317.371 -0.142 20 0 DBADRM CCCNS(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001595935728 1017110195 /nfs/dbraw/zinc/11/01/95/1017110195.db2.gz FULABOBEFRLASA-UHFFFAOYSA-N -1 0 305.356 -0.074 20 0 DBADRM CCCn1cc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cn1 ZINC001596116347 1017112570 /nfs/dbraw/zinc/11/25/70/1017112570.db2.gz CZSIXNZTRHXTDA-KOLCDFICSA-N -1 0 324.337 -0.068 20 0 DBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001595980185 1017112996 /nfs/dbraw/zinc/11/29/96/1017112996.db2.gz RFPJDKYYJQXWHY-VHSXEESVSA-N -1 0 322.383 -0.858 20 0 DBADRM CCC[C@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001596014076 1017113009 /nfs/dbraw/zinc/11/30/09/1017113009.db2.gz ABAAOLCEUQGFKX-UWVGGRQHSA-N -1 0 306.384 -0.525 20 0 DBADRM CCC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(N)=O ZINC001596024703 1017113594 /nfs/dbraw/zinc/11/35/94/1017113594.db2.gz SUOGQZJJZJGGHX-QMMMGPOBSA-N -1 0 301.324 -0.288 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001596180735 1017117559 /nfs/dbraw/zinc/11/75/59/1017117559.db2.gz GJRMMHYZBHGWFT-MRVPVSSYSA-N -1 0 313.310 -0.128 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001596183233 1017117878 /nfs/dbraw/zinc/11/78/78/1017117878.db2.gz IOYACFUOEGGVEJ-UHFFFAOYSA-N -1 0 310.310 -0.744 20 0 DBADRM CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001596200065 1017119569 /nfs/dbraw/zinc/11/95/69/1017119569.db2.gz FIAXJCASUGQVIT-UHFFFAOYSA-N -1 0 322.321 -0.345 20 0 DBADRM CCN(C)S(=O)(=O)NC1(C(=O)OC)CCC(C(=O)[O-])CC1 ZINC001596194468 1017119646 /nfs/dbraw/zinc/11/96/46/1017119646.db2.gz NKBKSFZPELLEEV-UHFFFAOYSA-N -1 0 322.383 -0.041 20 0 DBADRM CCN(C)S(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001596194943 1017120414 /nfs/dbraw/zinc/12/04/14/1017120414.db2.gz ZNQKQZLTLZDOFD-GFCCVEGCSA-N -1 0 321.399 -0.956 20 0 DBADRM CCN(CC)C(=O)CN1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001596247752 1017123216 /nfs/dbraw/zinc/12/32/16/1017123216.db2.gz VQXFDIPVPOAAKB-NEPJUHHUSA-N -1 0 311.382 -0.282 20 0 DBADRM CCN(CC1CCC1)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001596294429 1017123249 /nfs/dbraw/zinc/12/32/49/1017123249.db2.gz ZLZGPHLHWZZBOZ-RYUDHWBXSA-N -1 0 312.366 -0.071 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)OC ZINC001596294037 1017123661 /nfs/dbraw/zinc/12/36/61/1017123661.db2.gz AHPOUFOIHZPYJC-SNVBAGLBSA-N -1 0 322.383 -0.041 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1ncn(C)n1 ZINC001596327179 1017124904 /nfs/dbraw/zinc/12/49/04/1017124904.db2.gz SJOYMDAUARYJGH-UWVGGRQHSA-N -1 0 323.353 -0.496 20 0 DBADRM CCN(CCC1CC1)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001596321287 1017125675 /nfs/dbraw/zinc/12/56/75/1017125675.db2.gz KXXBWZOXUGCPGM-NEPJUHHUSA-N -1 0 312.366 -0.071 20 0 DBADRM CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1n[nH]c(=O)[n-]1 ZINC001596327035 1017126092 /nfs/dbraw/zinc/12/60/92/1017126092.db2.gz QLJMAEPMYMJXAU-RKDXNWHRSA-N -1 0 311.342 -0.441 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)Cn1cccc(C(=O)OC)c1=O ZINC001596307716 1017126254 /nfs/dbraw/zinc/12/62/54/1017126254.db2.gz QZUMFORSAQWFHO-UHFFFAOYSA-N -1 0 310.306 -0.042 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1cnn(C)n1 ZINC001596326660 1017126499 /nfs/dbraw/zinc/12/64/99/1017126499.db2.gz JTZZFXLKNGQUSE-RYUDHWBXSA-N -1 0 309.370 -0.136 20 0 DBADRM CCN(CCC(=O)[O-])C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC001596312701 1017126762 /nfs/dbraw/zinc/12/67/62/1017126762.db2.gz XPGOUCFQRCLART-UHFFFAOYSA-N -1 0 320.305 -0.029 20 0 DBADRM CCN(CCCNC(=O)c1ncn(C)n1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596328369 1017127887 /nfs/dbraw/zinc/12/78/87/1017127887.db2.gz QYJLDCCBBOKWAL-UWVGGRQHSA-N -1 0 323.353 -0.496 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)Cc1[nH]cnc1C ZINC001596332684 1017128065 /nfs/dbraw/zinc/12/80/65/1017128065.db2.gz KXFTZFCAPWJWFW-GHMZBOCLSA-N -1 0 322.365 -0.054 20 0 DBADRM CCN(CCCNC(=O)c1ncn(C)n1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596328370 1017128082 /nfs/dbraw/zinc/12/80/82/1017128082.db2.gz QYJLDCCBBOKWAL-VHSXEESVSA-N -1 0 323.353 -0.496 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1cnnn1C ZINC001596331710 1017128348 /nfs/dbraw/zinc/12/83/48/1017128348.db2.gz DCDNHULMQGKQDM-BDAKNGLRSA-N -1 0 309.326 -0.886 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1cnon1 ZINC001596327353 1017128575 /nfs/dbraw/zinc/12/85/75/1017128575.db2.gz ZBWDVSIYZMFMQW-RKDXNWHRSA-N -1 0 310.310 -0.241 20 0 DBADRM CCN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001596327305 1017128735 /nfs/dbraw/zinc/12/87/35/1017128735.db2.gz XXKLWJSOBKFPJO-JZRPKSSGSA-N -1 0 324.377 -0.046 20 0 DBADRM CCN(CCCO)C(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001596327420 1017128948 /nfs/dbraw/zinc/12/89/48/1017128948.db2.gz CISDENABVCEQST-AWEZNQCLSA-N -1 0 300.355 -0.069 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1cnnn1CC ZINC001596333387 1017129064 /nfs/dbraw/zinc/12/90/64/1017129064.db2.gz QYMCYRSSFWESAE-NWDGAFQWSA-N -1 0 309.370 -0.043 20 0 DBADRM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)Cc1nnc(C)[nH]1 ZINC001596332936 1017129306 /nfs/dbraw/zinc/12/93/06/1017129306.db2.gz MUORYXJTVBHWJW-ZJUUUORDSA-N -1 0 323.353 -0.659 20 0 DBADRM CCN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1ccncn1 ZINC001596339430 1017130547 /nfs/dbraw/zinc/13/05/47/1017130547.db2.gz KMACWVLEIBVXJT-UHFFFAOYSA-N -1 0 316.321 -0.039 20 0 DBADRM CCN(CCNC(=O)[C@@H]1CCC(=O)N1)c1ncc(C(=O)[O-])cn1 ZINC001596335212 1017130906 /nfs/dbraw/zinc/13/09/06/1017130906.db2.gz LWSKVZGDCXIUGR-JTQLQIEISA-N -1 0 321.337 -0.604 20 0 DBADRM CCN(CCNC(=O)Cc1cnoc1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596334368 1017131092 /nfs/dbraw/zinc/13/10/92/1017131092.db2.gz FWOZEOHOMRPCKF-MNOVXSKESA-N -1 0 309.322 -0.098 20 0 DBADRM CCN(CCNC(=O)c1cnns1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596335400 1017131150 /nfs/dbraw/zinc/13/11/50/1017131150.db2.gz OZHMOTPCYDBPPK-HTQZYQBOSA-N -1 0 312.351 -0.163 20 0 DBADRM CCN(CCNC(=O)CN(C)C(C)=O)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596333650 1017132111 /nfs/dbraw/zinc/13/21/11/1017132111.db2.gz UTZSGIJRXUKFSU-QWRGUYRKSA-N -1 0 313.354 -0.850 20 0 DBADRM CCN(CCNC(=O)c1ccn(C)n1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596336074 1017132378 /nfs/dbraw/zinc/13/23/78/1017132378.db2.gz YWDKMQUSLLKJIL-ZJUUUORDSA-N -1 0 308.338 -0.281 20 0 DBADRM CCN(OC)C(=O)CN1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001596380516 1017133152 /nfs/dbraw/zinc/13/31/52/1017133152.db2.gz LOTCZTJENQOELP-DTWKUNHWSA-N -1 0 313.310 -0.476 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001596383739 1017133740 /nfs/dbraw/zinc/13/37/40/1017133740.db2.gz FUQGJZVMKMUHCH-NXEZZACHSA-N -1 0 322.383 -0.041 20 0 DBADRM CCN(OC)C(=O)CNC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001596383970 1017134135 /nfs/dbraw/zinc/13/41/35/1017134135.db2.gz KVPZVCMPDQEFGV-VIFPVBQESA-N -1 0 319.383 -0.145 20 0 DBADRM CCN(CCc1cn(CC(=O)[O-])nn1)CCS(C)(=O)=O ZINC001596353057 1017134277 /nfs/dbraw/zinc/13/42/77/1017134277.db2.gz ZOYMWABXIAJMRP-UHFFFAOYSA-N -1 0 304.372 -0.728 20 0 DBADRM CCN(CCc1cn(CC(=O)[O-])nn1)[C@H]1CCS(=O)(=O)C1 ZINC001596352639 1017135158 /nfs/dbraw/zinc/13/51/58/1017135158.db2.gz RUXJUABZFPUUBJ-NSHDSACASA-N -1 0 316.383 -0.586 20 0 DBADRM CCN1C[C@@H](NC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CC1=O ZINC001596397482 1017137599 /nfs/dbraw/zinc/13/75/99/1017137599.db2.gz ITYQJAYMIQPQKQ-XPTSAGLGSA-N -1 0 324.337 -0.378 20 0 DBADRM CCN1CC[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC001596414997 1017140089 /nfs/dbraw/zinc/14/00/89/1017140089.db2.gz KWNKGYRXEXBQQT-BQVMBELUSA-N -1 0 309.366 -0.434 20 0 DBADRM CCN1CCC[C@@H](NC(=O)Cn2cccc(C(=O)[O-])c2=O)C1=O ZINC001596418812 1017143554 /nfs/dbraw/zinc/14/35/54/1017143554.db2.gz VCWDAIDBTZXLIV-LLVKDONJSA-N -1 0 321.333 -0.326 20 0 DBADRM CCN1CCOC[C@H]1C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001596441927 1017145724 /nfs/dbraw/zinc/14/57/24/1017145724.db2.gz ATGWRSNVFARRPM-QWRGUYRKSA-N -1 0 316.354 -0.570 20 0 DBADRM CCN1CCO[C@@H](C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])C1 ZINC001596442509 1017146024 /nfs/dbraw/zinc/14/60/24/1017146024.db2.gz MNYXXKSXCOHXEZ-RISCZKNCSA-N -1 0 310.354 -0.437 20 0 DBADRM CCN1CCO[C@H](C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001596442471 1017146889 /nfs/dbraw/zinc/14/68/89/1017146889.db2.gz LWAFZYZFOABNKQ-OLZOCXBDSA-N -1 0 307.350 -0.086 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC001596442367 1017147116 /nfs/dbraw/zinc/14/71/16/1017147116.db2.gz JIAJRZRLLQYVHN-WDMOLILDSA-N -1 0 300.355 -0.202 20 0 DBADRM CCNC(=O)CC(=O)NCCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001596456665 1017149480 /nfs/dbraw/zinc/14/94/80/1017149480.db2.gz XYTQHEZCUDVMKD-UHFFFAOYSA-N -1 0 323.353 -0.357 20 0 DBADRM CCNC(=O)CC(=O)N[C@H](C)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001596456066 1017149928 /nfs/dbraw/zinc/14/99/28/1017149928.db2.gz DVUKGGWJKDWGSU-DTWKUNHWSA-N -1 0 323.353 -0.572 20 0 DBADRM CCNC(=O)CC(=O)NC/C=C\CNc1ccnc(C(=O)[O-])n1 ZINC001596456275 1017150053 /nfs/dbraw/zinc/15/00/53/1017150053.db2.gz IXJOMIMRYYWQIL-ARJAWSKDSA-N -1 0 321.337 -0.793 20 0 DBADRM CCNC(=O)CC(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001596455878 1017150065 /nfs/dbraw/zinc/15/00/65/1017150065.db2.gz AFTUGLDIUURXSB-VIFPVBQESA-N -1 0 321.337 -0.604 20 0 DBADRM CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001596456385 1017150189 /nfs/dbraw/zinc/15/01/89/1017150189.db2.gz MTZLCZIOTPCVPM-KYZUINATSA-N -1 0 321.337 -0.818 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001596494823 1017154078 /nfs/dbraw/zinc/15/40/78/1017154078.db2.gz XRUJMXIQSWDRKY-OPRDCNLKSA-N -1 0 319.383 -0.570 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001596509458 1017155309 /nfs/dbraw/zinc/15/53/09/1017155309.db2.gz MMIIKRHHNJWMIS-UHFFFAOYSA-N -1 0 323.305 -0.440 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N[C@H]1CCO[C@H]1C(=O)[O-])C(C)=O ZINC001596526394 1017157575 /nfs/dbraw/zinc/15/75/75/1017157575.db2.gz MZHTWLFOIPVWJH-ATZCPNFKSA-N -1 0 301.295 -0.497 20 0 DBADRM CCOC(=O)[C@]1(C)CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CCO1 ZINC001596553920 1017157767 /nfs/dbraw/zinc/15/77/67/1017157767.db2.gz YICUBFBXXXVMEW-SKDRFNHKSA-N -1 0 323.367 -0.309 20 0 DBADRM CCOC(=O)C1(CC(=O)N[C@](C)(CO)C(=O)[O-])CCOCC1 ZINC001596552047 1017157961 /nfs/dbraw/zinc/15/79/61/1017157961.db2.gz KCIKVWDDYUUZHY-CYBMUJFWSA-N -1 0 317.338 -0.312 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001596620221 1017162160 /nfs/dbraw/zinc/16/21/60/1017162160.db2.gz QVVFOQSOFZQGKH-GQCTYLIASA-N -1 0 324.289 -0.132 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001596616087 1017163619 /nfs/dbraw/zinc/16/36/19/1017163619.db2.gz NYSXJPWVLFKYFR-ZDUSSCGKSA-N -1 0 316.354 -0.835 20 0 DBADRM CCOC(=O)NCCCC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001596662444 1017164964 /nfs/dbraw/zinc/16/49/64/1017164964.db2.gz FYHAYQFCNJVRMZ-VHSXEESVSA-N -1 0 302.327 -0.193 20 0 DBADRM CCOC(=O)Cn1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)n1 ZINC001596637950 1017165524 /nfs/dbraw/zinc/16/55/24/1017165524.db2.gz SALTVUVCGQOWHR-UHFFFAOYSA-N -1 0 322.281 -0.625 20 0 DBADRM CCOC(=O)NCC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001596659378 1017165857 /nfs/dbraw/zinc/16/58/57/1017165857.db2.gz QOHDZMADNVAQMG-QMMMGPOBSA-N -1 0 304.299 -0.545 20 0 DBADRM CCOC(=O)NCC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001596658770 1017165959 /nfs/dbraw/zinc/16/59/59/1017165959.db2.gz ACYUSQKJHQTTPR-UHFFFAOYSA-N -1 0 316.310 -0.401 20 0 DBADRM CCOC(=O)NCCC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001596659065 1017166035 /nfs/dbraw/zinc/16/60/35/1017166035.db2.gz ICERTIGQIAGFPL-NSHDSACASA-N -1 0 302.327 -0.193 20 0 DBADRM CCOC(=O)c1cnn(CN2CC(n3cc(C(=O)[O-])nn3)C2)c1 ZINC001596742755 1017167393 /nfs/dbraw/zinc/16/73/93/1017167393.db2.gz BQPAJGGCIVFWOL-UHFFFAOYSA-N -1 0 320.309 -0.136 20 0 DBADRM CCO[C@H](C(=O)N(CC(=O)[O-])CC(=O)OC)[C@H]1CCOC1 ZINC001596760346 1017167791 /nfs/dbraw/zinc/16/77/91/1017167791.db2.gz AQLGITLLTKXYFK-CABZTGNLSA-N -1 0 303.311 -0.486 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001596677843 1017168565 /nfs/dbraw/zinc/16/85/65/1017168565.db2.gz XOGFORGMXDMHFG-IVZWLZJFSA-N -1 0 312.322 -0.671 20 0 DBADRM CCOC(=O)Nc1scnc1C(=O)NC[C@H](O)C(=O)[O-] ZINC001596672202 1017168587 /nfs/dbraw/zinc/16/85/87/1017168587.db2.gz YZSCPDDLOCMUEM-YFKPBYRVSA-N -1 0 303.296 -0.113 20 0 DBADRM CCO[C@@H]1C[C@@](NC(=O)[C@@H](O)C(C)(C)O)(C(=O)[O-])C1(C)C ZINC001596812331 1017170821 /nfs/dbraw/zinc/17/08/21/1017170821.db2.gz HIBPXCNTGCHJMA-RFXMVYNHSA-N -1 0 303.355 -0.107 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001596864485 1017172762 /nfs/dbraw/zinc/17/27/62/1017172762.db2.gz WHEVKKCGWPVLEW-XWLWVQCSSA-N -1 0 314.338 -0.724 20 0 DBADRM CCO[C@@H]1C[C@@](NC(=O)[C@H](C)NC(N)=O)(C(=O)[O-])C1(C)C ZINC001596829678 1017172846 /nfs/dbraw/zinc/17/28/46/1017172846.db2.gz YRNKALMUWITJAN-HHURGBBESA-N -1 0 301.343 -0.182 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CC(c2cnn(C)c2)=NO1 ZINC001596868663 1017172896 /nfs/dbraw/zinc/17/28/96/1017172896.db2.gz LOZHGOUYDSUODD-VXGBXAGGSA-N -1 0 324.337 -0.139 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1CC(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001596855968 1017172910 /nfs/dbraw/zinc/17/29/10/1017172910.db2.gz YWKNCGYNGGSHIP-BIAAXOCRSA-N -1 0 301.339 -0.088 20 0 DBADRM CCO[C@H]1COCC[C@@H]1NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001596859454 1017173363 /nfs/dbraw/zinc/17/33/63/1017173363.db2.gz CFLJBCVJKAJGRH-UWVGGRQHSA-N -1 0 310.372 -0.579 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001596876054 1017175842 /nfs/dbraw/zinc/17/58/42/1017175842.db2.gz SCBYQJROVKBFLY-JTQLQIEISA-N -1 0 320.309 -0.177 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)CC(=O)N(C)Cc1cnn(C)c1 ZINC001596876527 1017176709 /nfs/dbraw/zinc/17/67/09/1017176709.db2.gz AJNRRXQWPHHTPW-LBPRGKRZSA-N -1 0 312.370 -0.200 20 0 DBADRM CCOCCS(=O)(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001596943858 1017181574 /nfs/dbraw/zinc/18/15/74/1017181574.db2.gz DQPPOEBRDHIQSN-NSHDSACASA-N -1 0 305.356 -0.318 20 0 DBADRM CCOCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001596939725 1017181584 /nfs/dbraw/zinc/18/15/84/1017181584.db2.gz SCLPNOIGHAGWGO-DTWKUNHWSA-N -1 0 309.340 -0.842 20 0 DBADRM CCOCC[C@@H](O)CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001596899382 1017178204 /nfs/dbraw/zinc/17/82/04/1017178204.db2.gz XFVDOIFVWBBLLQ-RNCFNFMXSA-N -1 0 302.327 -0.051 20 0 DBADRM CCOCC[C@H](O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001596899115 1017178213 /nfs/dbraw/zinc/17/82/13/1017178213.db2.gz ITCQWOQCGTWRNA-QWRGUYRKSA-N -1 0 309.384 -0.652 20 0 DBADRM CCOCCCn1c(CO)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001596921640 1017178560 /nfs/dbraw/zinc/17/85/60/1017178560.db2.gz NZJTUMOIBFYUHK-JTQLQIEISA-N -1 0 314.342 -0.513 20 0 DBADRM CCOCCCCNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001596907410 1017178824 /nfs/dbraw/zinc/17/88/24/1017178824.db2.gz HFFWXQALCOKQIJ-QWRGUYRKSA-N -1 0 316.354 -0.787 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001596889380 1017179261 /nfs/dbraw/zinc/17/92/61/1017179261.db2.gz NLZJFQWEXIOTLJ-BMQDGWLCSA-N -1 0 309.384 -0.196 20 0 DBADRM CCOCCn1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cn1 ZINC001596944057 1017180874 /nfs/dbraw/zinc/18/08/74/1017180874.db2.gz GZZBKCQALBSKKT-LLVKDONJSA-N -1 0 324.337 -0.665 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001596943683 1017181172 /nfs/dbraw/zinc/18/11/72/1017181172.db2.gz BWNLPRFSPARWLD-ZJUUUORDSA-N -1 0 322.383 -0.688 20 0 DBADRM CCOCCn1cc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001596945370 1017181387 /nfs/dbraw/zinc/18/13/87/1017181387.db2.gz ZJNGIVNLXSCLCF-JQWIXIFHSA-N -1 0 311.338 -0.173 20 0 DBADRM CCOCCOC[C@H](O)CNC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001596934512 1017181406 /nfs/dbraw/zinc/18/14/06/1017181406.db2.gz MZBJQICIBMLJAZ-SNVBAGLBSA-N -1 0 300.311 -0.143 20 0 DBADRM CCON(C)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001596963472 1017184509 /nfs/dbraw/zinc/18/45/09/1017184509.db2.gz KVZMMSMTQIVUGF-UHFFFAOYSA-N -1 0 319.339 -0.589 20 0 DBADRM CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)C(N)=O ZINC001597069012 1017186032 /nfs/dbraw/zinc/18/60/32/1017186032.db2.gz SUERMAGPPOKRNU-SSDOTTSWSA-N -1 0 316.335 -0.064 20 0 DBADRM CCOc1cccc(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC001597149309 1017186528 /nfs/dbraw/zinc/18/65/28/1017186528.db2.gz FALLBPNIRKKEGQ-NSHDSACASA-N -1 0 321.333 -0.176 20 0 DBADRM CCOc1ccccc1C(=O)NCC(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001597168582 1017187205 /nfs/dbraw/zinc/18/72/05/1017187205.db2.gz VHEKFFNBYRVOEP-HNNXBMFYSA-N -1 0 324.333 -0.233 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N[C@](C)(CO)C(=O)[O-] ZINC001597186663 1017187382 /nfs/dbraw/zinc/18/73/82/1017187382.db2.gz VSGVKFVPYZCDOB-LLVKDONJSA-N -1 0 304.324 -0.406 20 0 DBADRM CCS(=O)(=O)CCCCCN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001597209441 1017188414 /nfs/dbraw/zinc/18/84/14/1017188414.db2.gz CXAHHSCMPIMBFS-LLVKDONJSA-N -1 0 320.411 -0.134 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N1C(=O)N[C@H](CCC(=O)[O-])C1=O ZINC001597210063 1017188432 /nfs/dbraw/zinc/18/84/32/1017188432.db2.gz MQSWWIWBBJELSG-HTQZYQBOSA-N -1 0 306.340 -0.405 20 0 DBADRM CCS(=O)(=O)N1CCC(C(=O)N[C@H](CCF)C(=O)[O-])CC1 ZINC001597215637 1017188491 /nfs/dbraw/zinc/18/84/91/1017188491.db2.gz BBLHMXQOOPFPFO-SNVBAGLBSA-N -1 0 324.374 -0.023 20 0 DBADRM CCS(=O)(=O)N(C)CCCNc1ccnc(C(=O)[O-])n1 ZINC001597215818 1017189275 /nfs/dbraw/zinc/18/92/75/1017189275.db2.gz IRBQHJUQXGEKKN-UHFFFAOYSA-N -1 0 302.356 -0.320 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001597209520 1017189722 /nfs/dbraw/zinc/18/97/22/1017189722.db2.gz JBUBGJQVHMXYFX-UHFFFAOYSA-N -1 0 303.340 -0.526 20 0 DBADRM CC(=O)NC[C@@H]1CCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001497006819 1017191484 /nfs/dbraw/zinc/19/14/84/1017191484.db2.gz JZAQRIDRWCDZQZ-JTQLQIEISA-N -1 0 311.342 -0.403 20 0 DBADRM CCS(=O)(=O)NCCN1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001597225676 1017192389 /nfs/dbraw/zinc/19/23/89/1017192389.db2.gz WGVNKVMWIBCOLL-NSHDSACASA-N -1 0 305.356 -0.769 20 0 DBADRM CC[C@H](C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)N(C)C ZINC001597311188 1017195090 /nfs/dbraw/zinc/19/50/90/1017195090.db2.gz PGJBILWDDPAKIM-SECBINFHSA-N -1 0 306.384 -0.525 20 0 DBADRM CC[S@@](=O)CCNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001597250670 1017196687 /nfs/dbraw/zinc/19/66/87/1017196687.db2.gz UTZDNZGTDOGVAK-XUSGNXJCSA-N -1 0 317.367 -0.230 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001597251780 1017196734 /nfs/dbraw/zinc/19/67/34/1017196734.db2.gz WIENBVLNNHJLCT-RBHXEPJQSA-N -1 0 302.349 -0.153 20 0 DBADRM CCc1c(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cnn1C ZINC001597402627 1017198108 /nfs/dbraw/zinc/19/81/08/1017198108.db2.gz QKGKSNKCACCJBX-VHSXEESVSA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001597429399 1017198347 /nfs/dbraw/zinc/19/83/47/1017198347.db2.gz CATHENYUZYZEQP-NXEZZACHSA-N -1 0 306.322 -0.367 20 0 DBADRM CCc1cc(C(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)nn1C ZINC001597426477 1017198365 /nfs/dbraw/zinc/19/83/65/1017198365.db2.gz IWWMXGDWCVNLCI-ZJUUUORDSA-N -1 0 309.322 -0.072 20 0 DBADRM CCc1[nH]c(C(=O)N2CC[C@](O)(C(N)=O)C2)c(C)c1C(=O)[O-] ZINC001597361076 1017198599 /nfs/dbraw/zinc/19/85/99/1017198599.db2.gz LRTVZIKPOQYMGX-CQSZACIVSA-N -1 0 309.322 -0.354 20 0 DBADRM CCc1c(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cnn1C ZINC001597406895 1017198757 /nfs/dbraw/zinc/19/87/57/1017198757.db2.gz YKSDCGLTJUZBMJ-NXEZZACHSA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1cc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n(C)n1 ZINC001597431623 1017198821 /nfs/dbraw/zinc/19/88/21/1017198821.db2.gz OOFKXCNBVCMVSL-NXEZZACHSA-N -1 0 308.338 -0.451 20 0 DBADRM CCc1c(C(=O)NCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])cnn1C ZINC001597407168 1017199178 /nfs/dbraw/zinc/19/91/78/1017199178.db2.gz SGXNELISVMISPX-UWVGGRQHSA-N -1 0 322.365 -0.109 20 0 DBADRM CCc1c(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cnn1C ZINC001597406896 1017199424 /nfs/dbraw/zinc/19/94/24/1017199424.db2.gz YKSDCGLTJUZBMJ-UWVGGRQHSA-N -1 0 320.349 -0.356 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n(C)n1 ZINC001597477495 1017200491 /nfs/dbraw/zinc/20/04/91/1017200491.db2.gz DVFPIAHDWQXADC-SCZZXKLOSA-N -1 0 324.337 -0.379 20 0 DBADRM CCc1cncc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC001597632415 1017201153 /nfs/dbraw/zinc/20/11/53/1017201153.db2.gz VSGLUDNCWIENMI-NSHDSACASA-N -1 0 312.347 -0.032 20 0 DBADRM CCc1nc(C)c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])o1 ZINC001597655752 1017202432 /nfs/dbraw/zinc/20/24/32/1017202432.db2.gz FNUHFPUUTDGFCQ-MRVPVSSYSA-N -1 0 316.335 -0.131 20 0 DBADRM CCc1nnc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)[nH]1 ZINC001597669025 1017203356 /nfs/dbraw/zinc/20/33/56/1017203356.db2.gz QUMVYLQNTONAAR-QMMMGPOBSA-N -1 0 309.326 -0.694 20 0 DBADRM CCc1nncn1CCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001597736396 1017205105 /nfs/dbraw/zinc/20/51/05/1017205105.db2.gz UXIRRMXEKUELFE-JTQLQIEISA-N -1 0 323.353 -0.578 20 0 DBADRM CCc1noc(COCC(=O)N2CCOC[C@H]2CC(=O)[O-])n1 ZINC001597750456 1017205933 /nfs/dbraw/zinc/20/59/33/1017205933.db2.gz AEPJZYPAVJYCMP-SECBINFHSA-N -1 0 313.310 -0.149 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCCNC(=O)NC ZINC001597783961 1017206857 /nfs/dbraw/zinc/20/68/57/1017206857.db2.gz GDWPWQXUUMHVSJ-UHFFFAOYSA-N -1 0 319.339 -0.253 20 0 DBADRM CCc1nnsc1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597741941 1017207064 /nfs/dbraw/zinc/20/70/64/1017207064.db2.gz TXLQADVYAFCGGJ-JGVFFNPUSA-N -1 0 324.362 -0.238 20 0 DBADRM CCc1nncn1CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001597735835 1017207091 /nfs/dbraw/zinc/20/70/91/1017207091.db2.gz KOFYQKPFKHRODI-NXEZZACHSA-N -1 0 323.353 -0.722 20 0 DBADRM CCn1c([C@@H](O)COC)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001597842564 1017207990 /nfs/dbraw/zinc/20/79/90/1017207990.db2.gz JESZDKQCWGASIZ-QPUJVOFHSA-N -1 0 302.306 -0.019 20 0 DBADRM CCn1cc(-c2n[nH]cc2C(=O)OCC(=O)NCC(=O)[O-])cn1 ZINC001597870300 1017208458 /nfs/dbraw/zinc/20/84/58/1017208458.db2.gz QQQQICSULACCHK-UHFFFAOYSA-N -1 0 321.293 -0.349 20 0 DBADRM CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001597836183 1017209387 /nfs/dbraw/zinc/20/93/87/1017209387.db2.gz JFRCBISAVOSUIF-VIFPVBQESA-N -1 0 311.342 -0.274 20 0 DBADRM CCn1c([C@@H](O)COC)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001597843273 1017209409 /nfs/dbraw/zinc/20/94/09/1017209409.db2.gz PYSVGESBZYJZGR-DTWKUNHWSA-N -1 0 300.315 -0.732 20 0 DBADRM CCn1c(C[S@](C)=O)nnc1N1CCO[C@H](CC(=O)[O-])C1 ZINC001597857485 1017209580 /nfs/dbraw/zinc/20/95/80/1017209580.db2.gz XSZGUTIFLUSBRO-BTKVJGODSA-N -1 0 316.383 -0.144 20 0 DBADRM CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001597876757 1017210387 /nfs/dbraw/zinc/21/03/87/1017210387.db2.gz IFYYSRSNSGJTFJ-XKNYDFJKSA-N -1 0 321.337 -0.604 20 0 DBADRM CCn1cc(CNC(=O)c2ccc(C(=O)[O-])nc2)c(=O)[nH]c1=O ZINC001597889469 1017210898 /nfs/dbraw/zinc/21/08/98/1017210898.db2.gz CYWVJONZUFMPRD-UHFFFAOYSA-N -1 0 318.289 -0.008 20 0 DBADRM CCn1cc(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)nn1 ZINC001597890652 1017211987 /nfs/dbraw/zinc/21/19/87/1017211987.db2.gz NKUHLPNHFSQTRL-UHFFFAOYSA-N -1 0 302.356 -0.028 20 0 DBADRM CCn1cc(C(=O)N(C)CCNc2ncc(C(=O)[O-])cn2)nn1 ZINC001597876224 1017212003 /nfs/dbraw/zinc/21/20/03/1017212003.db2.gz WOGJCWMFZCBUMW-UHFFFAOYSA-N -1 0 319.325 -0.030 20 0 DBADRM CCn1cc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nn1 ZINC001597877001 1017212014 /nfs/dbraw/zinc/21/20/14/1017212014.db2.gz NAJBTINNMUEJGY-HWKXXFMVSA-N -1 0 321.337 -0.579 20 0 DBADRM CCn1cc(CC(=O)NCCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nn1 ZINC001597884134 1017212058 /nfs/dbraw/zinc/21/20/58/1017212058.db2.gz BEUGDHDEWJXOMM-GHMZBOCLSA-N -1 0 323.353 -0.816 20 0 DBADRM CCn1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cn1 ZINC001597875755 1017212225 /nfs/dbraw/zinc/21/22/25/1017212225.db2.gz NPXISZVVNHUQDB-NEPJUHHUSA-N -1 0 320.349 -0.092 20 0 DBADRM CCn1ccnc1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597915027 1017213717 /nfs/dbraw/zinc/21/37/17/1017213717.db2.gz OIHMEVZFPORDNR-NXEZZACHSA-N -1 0 306.322 -0.436 20 0 DBADRM CCn1ccnc1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001597913680 1017214408 /nfs/dbraw/zinc/21/44/08/1017214408.db2.gz BAIQBOHTTCGSMH-QPUJVOFHSA-N -1 0 315.351 -0.479 20 0 DBADRM CCn1ccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)n1 ZINC001597905148 1017214898 /nfs/dbraw/zinc/21/48/98/1017214898.db2.gz VTQLPFFEPFMRJI-GXSJLCMTSA-N -1 0 308.338 -0.159 20 0 DBADRM CCn1nc(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)ccc1=O ZINC001597926785 1017216477 /nfs/dbraw/zinc/21/64/77/1017216477.db2.gz HKEYZTQIUPGXKK-UHFFFAOYSA-N -1 0 317.305 -0.076 20 0 DBADRM CCn1nc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)ccc1=O ZINC001597927332 1017216629 /nfs/dbraw/zinc/21/66/29/1017216629.db2.gz DEDUNUDNFYMFKC-JTQLQIEISA-N -1 0 323.305 -0.504 20 0 DBADRM CCn1nc(C)cc1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597943497 1017216891 /nfs/dbraw/zinc/21/68/91/1017216891.db2.gz YGLXLNLUHCZBJM-MNOVXSKESA-N -1 0 320.349 -0.127 20 0 DBADRM CCn1cnnc1CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001597923763 1017217475 /nfs/dbraw/zinc/21/74/75/1017217475.db2.gz ZIAZWKZMSRVFTE-YUMQZZPRSA-N -1 0 312.330 -0.925 20 0 DBADRM CCn1nc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)ccc1=O ZINC001597927333 1017217607 /nfs/dbraw/zinc/21/76/07/1017217607.db2.gz DEDUNUDNFYMFKC-SNVBAGLBSA-N -1 0 323.305 -0.504 20 0 DBADRM CCn1nccc1CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001597966301 1017218615 /nfs/dbraw/zinc/21/86/15/1017218615.db2.gz PQESQSDHLRZRGU-IUCAKERBSA-N -1 0 311.342 -0.320 20 0 DBADRM CCn1ncc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001597950876 1017219621 /nfs/dbraw/zinc/21/96/21/1017219621.db2.gz SJIBONAQNRZLDE-NXEZZACHSA-N -1 0 321.337 -0.699 20 0 DBADRM CCn1nccc1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001597962979 1017219779 /nfs/dbraw/zinc/21/97/79/1017219779.db2.gz QAEVTFBBFHHOSV-WDEREUQCSA-N -1 0 320.349 -0.092 20 0 DBADRM CCn1ncc(CN2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001597957186 1017219790 /nfs/dbraw/zinc/21/97/90/1017219790.db2.gz OJFNKEZPBYDLGG-NEPJUHHUSA-N -1 0 307.354 -0.339 20 0 DBADRM CCn1ncc(CNC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001597956797 1017219943 /nfs/dbraw/zinc/21/99/43/1017219943.db2.gz BMMYMHXQGDMUKS-WAAGHKOSSA-N -1 0 309.326 -0.764 20 0 DBADRM CCn1nncc1CNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001597976565 1017221473 /nfs/dbraw/zinc/22/14/73/1017221473.db2.gz WRASFBGZUMTZAK-UHFFFAOYSA-N -1 0 302.356 -0.028 20 0 DBADRM CCn1nncc1C(=O)NCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001597973852 1017221527 /nfs/dbraw/zinc/22/15/27/1017221527.db2.gz IEWDJIGBRKSNMM-UHFFFAOYSA-N -1 0 319.325 -0.348 20 0 DBADRM CCn1nncc1CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001597975385 1017222182 /nfs/dbraw/zinc/22/21/82/1017222182.db2.gz BOUCYGHTCZVDHT-SECBINFHSA-N -1 0 302.356 -0.628 20 0 DBADRM CCn1nncc1CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001597976445 1017222619 /nfs/dbraw/zinc/22/26/19/1017222619.db2.gz VVSZAQRFTWWISN-UHFFFAOYSA-N -1 0 314.327 -0.942 20 0 DBADRM CN(C(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1)[C@@H]1CCNC1=O ZINC001597990920 1017224633 /nfs/dbraw/zinc/22/46/33/1017224633.db2.gz WFXJGFSSXBMZND-LLVKDONJSA-N -1 0 319.317 -0.401 20 0 DBADRM CN(C(=O)N[C@@H]1CCc2nnnn2CC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598049507 1017230447 /nfs/dbraw/zinc/23/04/47/1017230447.db2.gz RPFYUNNZQRZSAZ-BBBLOLIVSA-N -1 0 308.342 -0.117 20 0 DBADRM CN(C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])C1CCOCC1 ZINC001598041910 1017230618 /nfs/dbraw/zinc/23/06/18/1017230618.db2.gz GILRBLVUQRHPSA-NSHDSACASA-N -1 0 313.354 -0.118 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@@](C)(CCF)C(=O)[O-])nn1 ZINC001598133996 1017238024 /nfs/dbraw/zinc/23/80/24/1017238024.db2.gz HTSZIFNQNORUJM-LBPRGKRZSA-N -1 0 315.305 -0.701 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)nn1 ZINC001598134603 1017237890 /nfs/dbraw/zinc/23/78/90/1017237890.db2.gz UIQNTYVZIJMLTI-AWEZNQCLSA-N -1 0 323.353 -0.307 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN[C@@H](C(=O)[O-])c1ccnn1C ZINC001598283482 1017255714 /nfs/dbraw/zinc/25/57/14/1017255714.db2.gz WNRGALVRWYNORX-LADRHHBVSA-N -1 0 317.371 -0.764 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1ncn(C)n1 ZINC001598477502 1017274076 /nfs/dbraw/zinc/27/40/76/1017274076.db2.gz PDTRNUYIMAUBPQ-ZJUUUORDSA-N -1 0 323.353 -0.544 20 0 DBADRM CN(CCO)C(=O)C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001598496646 1017290114 /nfs/dbraw/zinc/29/01/14/1017290114.db2.gz WGSPNFAWJVFIER-UHFFFAOYSA-N -1 0 306.318 -0.280 20 0 DBADRM CN(CCNc1nccc(C(=O)[O-])n1)CCS(C)(=O)=O ZINC001598495376 1017290232 /nfs/dbraw/zinc/29/02/32/1017290232.db2.gz FWRXLFAAUQYCMT-UHFFFAOYSA-N -1 0 302.356 -0.437 20 0 DBADRM CN(CCOCCNC(=O)c1cc[nH]c1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598497544 1017292346 /nfs/dbraw/zinc/29/23/46/1017292346.db2.gz HSECUZRIXRYMSG-RYUDHWBXSA-N -1 0 323.349 -0.060 20 0 DBADRM CN(CCn1cccn1)C(=O)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001598503515 1017292669 /nfs/dbraw/zinc/29/26/69/1017292669.db2.gz LZNAMVGWEXBWHQ-UHFFFAOYSA-N -1 0 310.354 -0.041 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc3cccnn32)CC1=O ZINC001598562430 1017304655 /nfs/dbraw/zinc/30/46/55/1017304655.db2.gz KFIXOIPMAROVSO-LLVKDONJSA-N -1 0 302.290 -0.298 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cn3ccccc3n2)CC1=O ZINC001598562273 1017304718 /nfs/dbraw/zinc/30/47/18/1017304718.db2.gz IWOMMVBZSLHSBF-SNVBAGLBSA-N -1 0 302.290 -0.298 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ncoc2-c2ccon2)CC1=O ZINC001598563241 1017304806 /nfs/dbraw/zinc/30/48/06/1017304806.db2.gz IZTBJGIGFPAKRF-MRVPVSSYSA-N -1 0 320.261 -0.303 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C[C@@H](O)COCc2ccccc2)CC1=O ZINC001598562595 1017305160 /nfs/dbraw/zinc/30/51/60/1017305160.db2.gz BQGPFODCEAYWFJ-KGLIPLIRSA-N -1 0 322.361 -0.209 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cn3cccnc3n2)CC1=O ZINC001598562299 1017305595 /nfs/dbraw/zinc/30/55/95/1017305595.db2.gz JAZNSDUDYSGBIX-SECBINFHSA-N -1 0 303.278 -0.903 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cnn3c2OCCC3)CC1=O ZINC001598562796 1017305657 /nfs/dbraw/zinc/30/56/57/1017305657.db2.gz FESSUQLXYGJZDX-SECBINFHSA-N -1 0 308.294 -0.967 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C[C@@H](O)Cc2ccc(F)cc2)CC1=O ZINC001598562982 1017306138 /nfs/dbraw/zinc/30/61/38/1017306138.db2.gz HTONPKNVECZXFV-STQMWFEESA-N -1 0 310.325 -0.044 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cc3ncccn3n2)CC1=O ZINC001598562847 1017305847 /nfs/dbraw/zinc/30/58/47/1017305847.db2.gz MIBCARKBNRMSQM-SECBINFHSA-N -1 0 303.278 -0.903 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@@H]2COc3ccccc3O2)CC1=O ZINC001598563092 1017305915 /nfs/dbraw/zinc/30/59/15/1017305915.db2.gz NVMWVTOGUQHDPI-CABZTGNLSA-N -1 0 320.301 -0.420 20 0 DBADRM CN(CC(F)(F)F)C(=O)CN1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001598563237 1017305951 /nfs/dbraw/zinc/30/59/51/1017305951.db2.gz IYVGMIUEROEBMJ-SSDOTTSWSA-N -1 0 311.260 -0.766 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cccc3[nH]c(=O)[nH]c32)CC1=O ZINC001598561843 1017306191 /nfs/dbraw/zinc/30/61/91/1017306191.db2.gz FHTNYUDLTHLCBA-VIFPVBQESA-N -1 0 318.289 -0.364 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)Cc2ccc(C(N)=O)cc2)CC1=O ZINC001598562066 1017306335 /nfs/dbraw/zinc/30/63/35/1017306335.db2.gz HUEUWRATOJECTR-LLVKDONJSA-N -1 0 319.317 -0.918 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C[C@H]2CC3(CO2)CCOCC3)CC1=O ZINC001598562901 1017306354 /nfs/dbraw/zinc/30/63/54/1017306354.db2.gz GBEFESVDRHMASR-NEPJUHHUSA-N -1 0 312.366 -0.201 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cc3ncccn3n2)CC1=O ZINC001598562850 1017306457 /nfs/dbraw/zinc/30/64/57/1017306457.db2.gz MIBCARKBNRMSQM-VIFPVBQESA-N -1 0 303.278 -0.903 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CCC(=O)c3cccn32)CC1=O ZINC001598563471 1017307363 /nfs/dbraw/zinc/30/73/63/1017307363.db2.gz RHQAUOSALLBLIK-QWRGUYRKSA-N -1 0 319.317 -0.241 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)Cc2cc(F)ccc2O)CC1=O ZINC001598564931 1017307431 /nfs/dbraw/zinc/30/74/31/1017307431.db2.gz MTFIISNIRMNLSM-SNVBAGLBSA-N -1 0 310.281 -0.172 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C[C@@H](O)CCC2(O)CCC2)CC1=O ZINC001598564110 1017307679 /nfs/dbraw/zinc/30/76/79/1017307679.db2.gz QDMGAYAZAVGVGS-WDEREUQCSA-N -1 0 300.355 -0.730 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)/C=C/c2ccc(C(N)=O)o2)CC1=O ZINC001598564067 1017307836 /nfs/dbraw/zinc/30/78/36/1017307836.db2.gz WLUWKDHATNKFBH-HYYFJVDXSA-N -1 0 321.289 -0.855 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)C(=O)Nc2ccc(F)cc2)CC1=O ZINC001598563758 1017308289 /nfs/dbraw/zinc/30/82/89/1017308289.db2.gz UEXMZCKSUBMGSJ-JTQLQIEISA-N -1 0 323.280 -0.482 20 0 DBADRM CN1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1=O ZINC001598588337 1017323129 /nfs/dbraw/zinc/32/31/29/1017323129.db2.gz WKQXRWGNBGDLJH-ZCFIWIBFSA-N -1 0 302.312 -0.993 20 0 DBADRM CN1CC[C@H]1CNC(=O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001598588680 1017323178 /nfs/dbraw/zinc/32/31/78/1017323178.db2.gz CXRQRVQLAQYKNB-UWVGGRQHSA-N -1 0 315.395 -0.917 20 0 DBADRM CN1CC[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1=O ZINC001598588055 1017324198 /nfs/dbraw/zinc/32/41/98/1017324198.db2.gz RTLYQWXVYZKDFR-SSDOTTSWSA-N -1 0 301.324 -0.388 20 0 DBADRM CN1CCC[C@@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1=O ZINC001598595348 1017327207 /nfs/dbraw/zinc/32/72/07/1017327207.db2.gz AHNWOXFFCAFYQV-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1CCC[C@H]1c1cc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)n[nH]1 ZINC001598600041 1017328025 /nfs/dbraw/zinc/32/80/25/1017328025.db2.gz ZAJJNSWRVQIQJU-SMDDNHRTSA-N -1 0 308.338 -0.162 20 0 DBADRM CN1CCC[C@@H](N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)C1=O ZINC001598596656 1017328253 /nfs/dbraw/zinc/32/82/53/1017328253.db2.gz POWMHZMILVAANA-IUODEOHRSA-N -1 0 311.382 -0.532 20 0 DBADRM CN1CCC[C@@H](N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)C1=O ZINC001598596655 1017329280 /nfs/dbraw/zinc/32/92/80/1017329280.db2.gz POWMHZMILVAANA-DOMZBBRYSA-N -1 0 311.382 -0.532 20 0 DBADRM CN1CCN(C(=O)CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC001598604523 1017330227 /nfs/dbraw/zinc/33/02/27/1017330227.db2.gz MOLRBBPSSGLJOJ-RYUDHWBXSA-N -1 0 311.382 -0.232 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@H](C(=O)[O-])C1 ZINC001598605363 1017331702 /nfs/dbraw/zinc/33/17/02/1017331702.db2.gz HTKCNJHZOHMNQU-GHMZBOCLSA-N -1 0 318.395 -0.714 20 0 DBADRM CN1CCN(C(=O)CNC(=O)Nc2ccc(C(=O)[O-])nn2)CC1 ZINC001598607344 1017339325 /nfs/dbraw/zinc/33/93/25/1017339325.db2.gz MMAKMUKKSNVPJX-UHFFFAOYSA-N -1 0 322.325 -0.930 20 0 DBADRM CN1CCN(CC(=O)N2CCC(CCC(=O)[O-])CC2)CC1=O ZINC001598614711 1017341797 /nfs/dbraw/zinc/34/17/97/1017341797.db2.gz BTGGXGDZVQARCD-UHFFFAOYSA-N -1 0 311.382 -0.136 20 0 DBADRM CN1CCN(C)[C@H](CN2C(=O)[C@H]3CC[C@@H](C(=O)[O-])CN3C2=O)C1 ZINC001598611202 1017344161 /nfs/dbraw/zinc/34/41/61/1017344161.db2.gz HJQMGCLMISNFOM-GRYCIOLGSA-N -1 0 324.381 -0.640 20 0 DBADRM CN1CCN(CC(=O)N[C@H](C(=O)[O-])C2CCCCC2)CC1=O ZINC001598616261 1017347322 /nfs/dbraw/zinc/34/73/22/1017347322.db2.gz PSALAOMZEKOOSO-AWEZNQCLSA-N -1 0 311.382 -0.090 20 0 DBADRM Cn1ccc(S(=O)(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)n1 ZINC001598619207 1017351939 /nfs/dbraw/zinc/35/19/39/1017351939.db2.gz ADLZJSYZLAXJTK-VIFPVBQESA-N -1 0 302.356 -0.943 20 0 DBADRM CN1CCOC[C@@H]1CNS(=O)(=O)c1occc1C(=O)[O-] ZINC001598625669 1017354572 /nfs/dbraw/zinc/35/45/72/1017354572.db2.gz PZFYSMNAZAXFTD-QMMMGPOBSA-N -1 0 304.324 -0.413 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)C1 ZINC001598625382 1017354691 /nfs/dbraw/zinc/35/46/91/1017354691.db2.gz KUKSKQUYZYOHJE-HFXYEQLZSA-N -1 0 312.366 -0.154 20 0 DBADRM CN1CCOC[C@@H]1CNC(=O)COCc1ocnc1C(=O)[O-] ZINC001598624188 1017355576 /nfs/dbraw/zinc/35/55/76/1017355576.db2.gz VJZMTNROJPCZDF-VIFPVBQESA-N -1 0 313.310 -0.664 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)C1=O ZINC001598624156 1017355637 /nfs/dbraw/zinc/35/56/37/1017355637.db2.gz DDUWPIFAUQNOMG-GZMMTYOYSA-N -1 0 322.321 -0.610 20 0 DBADRM CN1CCOC[C@@H]1CNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598625255 1017355813 /nfs/dbraw/zinc/35/58/13/1017355813.db2.gz LQPNVHUOTPACCM-SRVKXCTJSA-N -1 0 320.411 -0.120 20 0 DBADRM CN1CCO[C@H](C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)C1=O ZINC001598625772 1017356372 /nfs/dbraw/zinc/35/63/72/1017356372.db2.gz OGLGFKCSUOGLBC-NWDGAFQWSA-N -1 0 324.308 -0.033 20 0 DBADRM CN1C[C@@H](n2nnnc2N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1=O ZINC001598628509 1017358885 /nfs/dbraw/zinc/35/88/85/1017358885.db2.gz DXIOJEUMQSYKED-GARJFASQSA-N -1 0 320.353 -0.377 20 0 DBADRM CNC(=O)C(C)(C)CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001598630437 1017359033 /nfs/dbraw/zinc/35/90/33/1017359033.db2.gz NLZNEPAAZBIETF-UHFFFAOYSA-N -1 0 318.355 -0.533 20 0 DBADRM CN1CCO[C@@H](C(=O)NCC2(CC(=O)[O-])CCOCC2)C1=O ZINC001598625969 1017359952 /nfs/dbraw/zinc/35/99/52/1017359952.db2.gz QPKDPQGMYWBFPK-NSHDSACASA-N -1 0 314.338 -0.769 20 0 DBADRM CNC(=O)C1(NS(=O)(=O)CC(C)(C)C(=O)[O-])CCOCC1 ZINC001598635945 1017360903 /nfs/dbraw/zinc/36/09/03/1017360903.db2.gz RJQUWWMFIGRQSZ-UHFFFAOYSA-N -1 0 322.383 -0.688 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001598634258 1017361495 /nfs/dbraw/zinc/36/14/95/1017361495.db2.gz KCLABDIRLNFHFH-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM CNC(=O)C1CN(C(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])C1 ZINC001598638993 1017363222 /nfs/dbraw/zinc/36/32/22/1017363222.db2.gz PIQLZEUNYBRLCN-UHFFFAOYSA-N -1 0 321.333 -0.029 20 0 DBADRM CNC(=O)[C@H]1CCCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001598639746 1017364373 /nfs/dbraw/zinc/36/43/73/1017364373.db2.gz VLMPPUAAUVRRGX-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001598639139 1017364718 /nfs/dbraw/zinc/36/47/18/1017364718.db2.gz KNUNECPOJLBUCK-JTQLQIEISA-N -1 0 322.321 -0.820 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)c2c(C)[nH]c(C(=O)[O-])c2C)CCO1 ZINC001598637841 1017364953 /nfs/dbraw/zinc/36/49/53/1017364953.db2.gz QNHKQYYTIORKLC-SECBINFHSA-N -1 0 309.322 -0.083 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001598642573 1017365721 /nfs/dbraw/zinc/36/57/21/1017365721.db2.gz MUBMYJZUODHZAK-UHFFFAOYSA-N -1 0 313.335 -0.021 20 0 DBADRM CNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)[O-])nc2)CC1 ZINC001598643554 1017366832 /nfs/dbraw/zinc/36/68/32/1017366832.db2.gz RDBIVYNKLFNLOP-UHFFFAOYSA-N -1 0 321.337 -0.325 20 0 DBADRM CNC(=O)CCCNC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001598643401 1017367338 /nfs/dbraw/zinc/36/73/38/1017367338.db2.gz XECKFSHHCHTTDK-DTWKUNHWSA-N -1 0 315.326 -0.972 20 0 DBADRM CNC(=O)CN(CC(=O)NC)Cc1cc(C(=O)[O-])ccc1OC ZINC001598642264 1017367577 /nfs/dbraw/zinc/36/75/77/1017367577.db2.gz NAMDDRMQURUULY-UHFFFAOYSA-N -1 0 323.349 -0.313 20 0 DBADRM CNC(=O)Cc1noc(CN2CCSC[C@H]2C(=O)[O-])n1 ZINC001598648466 1017368537 /nfs/dbraw/zinc/36/85/37/1017368537.db2.gz KAXFRUGFYWGITR-ZETCQYMHSA-N -1 0 300.340 -0.640 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)C(=O)NCCC(=O)[O-] ZINC001598647536 1017368674 /nfs/dbraw/zinc/36/86/74/1017368674.db2.gz NDVNZKNESUUIKN-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM CNC(=O)Cc1noc(CN2CCC([C@H](O)C(=O)[O-])CC2)n1 ZINC001598648412 1017369224 /nfs/dbraw/zinc/36/92/24/1017369224.db2.gz IPHYYVYSECSETJ-LBPRGKRZSA-N -1 0 312.326 -0.984 20 0 DBADRM CNC(=O)NC(=O)CN1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001598650910 1017369455 /nfs/dbraw/zinc/36/94/55/1017369455.db2.gz AHLQDTLHOASHBH-GFCCVEGCSA-N -1 0 307.306 -0.038 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)c2cc(C(=O)[O-])no2)cc1C ZINC001598650367 1017369500 /nfs/dbraw/zinc/36/95/00/1017369500.db2.gz DTECKLMYJVPONA-UHFFFAOYSA-N -1 0 307.266 -0.124 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)NCCCCC(=O)[O-] ZINC001598653755 1017371781 /nfs/dbraw/zinc/37/17/81/1017371781.db2.gz RRWYGORCHLMUHX-JTQLQIEISA-N -1 0 316.358 -0.419 20 0 DBADRM CNC(=O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccn1)C(C)C ZINC001598655766 1017372187 /nfs/dbraw/zinc/37/21/87/1017372187.db2.gz GZYWEYNDULLVNQ-JTQLQIEISA-N -1 0 315.351 -0.171 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1Cc1nc(C(=O)[O-])cs1 ZINC001598653228 1017372291 /nfs/dbraw/zinc/37/22/91/1017372291.db2.gz KADYPIVOLVTYRW-MRVPVSSYSA-N -1 0 314.367 -0.029 20 0 DBADRM C/C=C(\C)C(=O)NCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001497410924 1017372285 /nfs/dbraw/zinc/37/22/85/1017372285.db2.gz BMIMUKADNUQZBQ-FPYGCLRLSA-N -1 0 321.337 -0.030 20 0 DBADRM CNC(=O)NC(=O)CN1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001598652598 1017372898 /nfs/dbraw/zinc/37/28/98/1017372898.db2.gz UPXVFSWXQQLNOC-JTQLQIEISA-N -1 0 311.269 -0.067 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC001598661995 1017373590 /nfs/dbraw/zinc/37/35/90/1017373590.db2.gz PRILLPBXCGDHQK-VUDBWIFFSA-N -1 0 307.306 -0.594 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)c1 ZINC001598662033 1017374378 /nfs/dbraw/zinc/37/43/78/1017374378.db2.gz RRBJCIGHNFXQSQ-PVTNRURFSA-N -1 0 319.317 -0.451 20 0 DBADRM CNC(=O)c1ccc(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)nn1 ZINC001598658062 1017374516 /nfs/dbraw/zinc/37/45/16/1017374516.db2.gz RIKMPZJATFJVJF-MRVPVSSYSA-N -1 0 323.309 -0.456 20 0 DBADRM CNC(=O)c1ccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)nn1 ZINC001598658214 1017375245 /nfs/dbraw/zinc/37/52/45/1017375245.db2.gz VDMBCXPXYKVDTL-QMMMGPOBSA-N -1 0 309.282 -0.847 20 0 DBADRM CNC(=O)[C@@H]1Cc2ccccc2CN1CCC(=O)NCC(=O)[O-] ZINC001598656347 1017375869 /nfs/dbraw/zinc/37/58/69/1017375869.db2.gz ZEJRZXIELABLQN-ZDUSSCGKSA-N -1 0 319.361 -0.250 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1[C@H](CCC(=O)[O-])C(=O)OC ZINC001598670495 1017379230 /nfs/dbraw/zinc/37/92/30/1017379230.db2.gz FWENCHXMVYWSGI-VHSXEESVSA-N -1 0 322.383 -0.594 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H](C)CC(=O)[O-])C1 ZINC001598670747 1017379777 /nfs/dbraw/zinc/37/97/77/1017379777.db2.gz HJBFFGMTFSGLGM-VHSXEESVSA-N -1 0 306.384 -0.115 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001598670374 1017380309 /nfs/dbraw/zinc/38/03/09/1017380309.db2.gz COIUSKARBSTPQY-UHFFFAOYSA-N -1 0 315.351 -0.304 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001598669608 1017380684 /nfs/dbraw/zinc/38/06/84/1017380684.db2.gz PPRHWAUCKHZTKA-SECBINFHSA-N -1 0 315.351 -0.133 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])on2)C1 ZINC001598669183 1017380741 /nfs/dbraw/zinc/38/07/41/1017380741.db2.gz JPPOPGMYTYHORQ-SSDOTTSWSA-N -1 0 317.323 -0.473 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H](C)CC(=O)[O-])C1 ZINC001598670745 1017380920 /nfs/dbraw/zinc/38/09/20/1017380920.db2.gz HJBFFGMTFSGLGM-NXEZZACHSA-N -1 0 306.384 -0.115 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@H](CC(=O)[O-])c1ccncc1 ZINC001598670020 1017381019 /nfs/dbraw/zinc/38/10/19/1017381019.db2.gz WQBHWRXMNHZGDX-SECBINFHSA-N -1 0 301.324 -0.737 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001598670590 1017381165 /nfs/dbraw/zinc/38/11/65/1017381165.db2.gz FUWUUTOEXWMXLZ-QMMMGPOBSA-N -1 0 307.353 -0.956 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1[C@@H](CCC(=O)[O-])C(=O)OC ZINC001598670497 1017381174 /nfs/dbraw/zinc/38/11/74/1017381174.db2.gz FWENCHXMVYWSGI-ZJUUUORDSA-N -1 0 322.383 -0.594 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001598672408 1017381801 /nfs/dbraw/zinc/38/18/01/1017381801.db2.gz QSIFLUNYIJYUBC-UHFFFAOYSA-N -1 0 316.339 -0.159 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC001598671903 1017381830 /nfs/dbraw/zinc/38/18/30/1017381830.db2.gz WAVQQUZEXXRVLS-JTQLQIEISA-N -1 0 319.314 -0.879 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)NCC(C)(C)CC(=O)[O-] ZINC001598671974 1017381847 /nfs/dbraw/zinc/38/18/47/1017381847.db2.gz VXUBLIRDMFQAIG-UHFFFAOYSA-N -1 0 309.388 -0.274 20 0 DBADRM CNS(=O)(=O)CCCOC(=O)c1ccnc(C(=O)[O-])c1 ZINC001598672005 1017383522 /nfs/dbraw/zinc/38/35/22/1017383522.db2.gz KXMPTPHUTQJVHF-UHFFFAOYSA-N -1 0 302.308 -0.124 20 0 DBADRM CNS(=O)(=O)CCNC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001598671742 1017383285 /nfs/dbraw/zinc/38/32/85/1017383285.db2.gz IPZQOLYRWHJUFJ-UHFFFAOYSA-N -1 0 304.368 -0.313 20 0 DBADRM CNc1ncc(C(=O)NCCC(=O)NCCC(=O)[O-])s1 ZINC001598680629 1017384447 /nfs/dbraw/zinc/38/44/47/1017384447.db2.gz BBAWYKOAQFZOLC-UHFFFAOYSA-N -1 0 300.340 -0.104 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001598676232 1017384632 /nfs/dbraw/zinc/38/46/32/1017384632.db2.gz BGZWPBUYTOCTMT-SECBINFHSA-N -1 0 316.335 -0.840 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)O[C@@H](COC)C(=O)[O-])c1 ZINC001598676900 1017384822 /nfs/dbraw/zinc/38/48/22/1017384822.db2.gz FFWBHYFIDGOQAR-ZETCQYMHSA-N -1 0 323.348 -0.087 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)C(=O)[O-])c1 ZINC001598676444 1017384950 /nfs/dbraw/zinc/38/49/50/1017384950.db2.gz HUSRAVDPTXMPPM-GFCCVEGCSA-N -1 0 316.335 -0.840 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])co1 ZINC001598674633 1017385404 /nfs/dbraw/zinc/38/54/04/1017385404.db2.gz SUSUEOKRUNRDNF-APPZFPTMSA-N -1 0 318.307 -0.840 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NCC2(C(=O)[O-])CC2)cn1 ZINC001598674530 1017385493 /nfs/dbraw/zinc/38/54/93/1017385493.db2.gz IVGXLWUDEGLSAD-UHFFFAOYSA-N -1 0 313.335 -0.416 20 0 DBADRM COC(=O)[C@@](C)(O)CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001598687143 1017387835 /nfs/dbraw/zinc/38/78/35/1017387835.db2.gz FGQNCGJBSFGYRY-RWEMILLDSA-N -1 0 303.311 -0.704 20 0 DBADRM CNc1cc(CNC(=O)NCCC(=O)NCCC(=O)[O-])ccn1 ZINC001598675806 1017386097 /nfs/dbraw/zinc/38/60/97/1017386097.db2.gz GTJOVUPWKFQMAM-UHFFFAOYSA-N -1 0 323.353 -0.097 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001598672635 1017386124 /nfs/dbraw/zinc/38/61/24/1017386124.db2.gz XOSFGDUBIASCKO-VHSXEESVSA-N -1 0 321.399 -0.132 20 0 DBADRM COC(=O)[C@](C)(CO)NCC(=O)Nc1ccsc1C(=O)[O-] ZINC001598689128 1017388080 /nfs/dbraw/zinc/38/80/80/1017388080.db2.gz XWFFZKXGGORHCY-LBPRGKRZSA-N -1 0 316.335 -0.102 20 0 DBADRM COC(=O)C(C)(C)NC(=O)/C=C(/C)C(=O)NC(C)(C)C(=O)[O-] ZINC001598685739 1017388754 /nfs/dbraw/zinc/38/87/54/1017388754.db2.gz HKYJLCNRJVNLCE-FPLPWBNLSA-N -1 0 314.338 -0.020 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001598688881 1017389251 /nfs/dbraw/zinc/38/92/51/1017389251.db2.gz UEHYTWPWSFBZLB-IWSPIJDZSA-N -1 0 309.340 -0.965 20 0 DBADRM COC(=O)/C(C)=C/CN1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001598687025 1017389324 /nfs/dbraw/zinc/38/93/24/1017389324.db2.gz DEMRIMCDRLJQIP-COHQTCMYSA-N -1 0 312.366 -0.033 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC001598694391 1017389735 /nfs/dbraw/zinc/38/97/35/1017389735.db2.gz MQPFFKIVBJWEKB-GHMZBOCLSA-N -1 0 321.285 -0.099 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC001598694396 1017390385 /nfs/dbraw/zinc/39/03/85/1017390385.db2.gz MQPFFKIVBJWEKB-QWRGUYRKSA-N -1 0 321.285 -0.099 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc(F)cc2n[nH]nc21 ZINC001598694423 1017391126 /nfs/dbraw/zinc/39/11/26/1017391126.db2.gz YYCSJYOBSHIFTP-QMMMGPOBSA-N -1 0 310.241 -0.157 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC001598692883 1017391410 /nfs/dbraw/zinc/39/14/10/1017391410.db2.gz FIVKLDFGMMTAHC-UWVGGRQHSA-N -1 0 314.338 -0.377 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CCN(CC[S@](C)=O)CC1 ZINC001598696943 1017392166 /nfs/dbraw/zinc/39/21/66/1017392166.db2.gz CIWQYLZPRLMFJN-MQJDWESPSA-N -1 0 320.411 -0.611 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001598695881 1017392617 /nfs/dbraw/zinc/39/26/17/1017392617.db2.gz ZXBKEPFEYUOYOI-SDBXPKJASA-N -1 0 300.311 -0.432 20 0 DBADRM COC(=O)[C@H](CCF)NS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001598699260 1017393197 /nfs/dbraw/zinc/39/31/97/1017393197.db2.gz OTXXYUWVGDZFQV-QMMMGPOBSA-N -1 0 320.298 -0.041 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC001598695877 1017393437 /nfs/dbraw/zinc/39/34/37/1017393437.db2.gz ZWQHOYDQIBFLBJ-VXNVDRBHSA-N -1 0 312.278 -0.470 20 0 DBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001598696328 1017394239 /nfs/dbraw/zinc/39/42/39/1017394239.db2.gz IJILOQMKSKTURH-VIFPVBQESA-N -1 0 312.278 -0.253 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C)nc1 ZINC001598695203 1017394227 /nfs/dbraw/zinc/39/42/27/1017394227.db2.gz QAXIDEADUHWCNX-VIFPVBQESA-N -1 0 302.308 -0.315 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001598694884 1017394416 /nfs/dbraw/zinc/39/44/16/1017394416.db2.gz PIMNPDHMXJRPDG-WCBMZHEXSA-N -1 0 309.322 -0.343 20 0 DBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001598702209 1017395019 /nfs/dbraw/zinc/39/50/19/1017395019.db2.gz MMXAAQDGUDRNEW-LHKGTJRUSA-N -1 0 308.294 -0.809 20 0 DBADRM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CC[C@](O)(C(N)=O)C1 ZINC001598713754 1017395455 /nfs/dbraw/zinc/39/54/55/1017395455.db2.gz RESLSKZNGQUTJI-IAQYHMDHSA-N -1 0 322.317 -0.479 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)C1CC1 ZINC001598712011 1017396323 /nfs/dbraw/zinc/39/63/23/1017396323.db2.gz IAHKPHHKDYUDLD-JTQLQIEISA-N -1 0 316.335 -0.047 20 0 DBADRM COC(=O)[C@H](O)C1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC001598710655 1017396341 /nfs/dbraw/zinc/39/63/41/1017396341.db2.gz FVGHDKBMCXJIDX-LLVKDONJSA-N -1 0 323.367 -0.573 20 0 DBADRM COC(=O)[C@]1(C(=O)N[C@@H](CO)C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598716763 1017396410 /nfs/dbraw/zinc/39/64/10/1017396410.db2.gz SVUPXBSOUZRZPC-JRPNMDOOSA-N -1 0 307.302 -0.105 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001598705012 1017396975 /nfs/dbraw/zinc/39/69/75/1017396975.db2.gz VTBWYBNGMBHCOO-SNVBAGLBSA-N -1 0 317.319 -0.874 20 0 DBADRM COC(=O)C1(NC(=O)Cn2cncn2)CCC(C(=O)[O-])CC1 ZINC001598723414 1017397988 /nfs/dbraw/zinc/39/79/88/1017397988.db2.gz GMNRLUSCANCRDW-UHFFFAOYSA-N -1 0 310.310 -0.419 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC001598720357 1017398061 /nfs/dbraw/zinc/39/80/61/1017398061.db2.gz XHZOUGHYKHWRSH-VIFPVBQESA-N -1 0 321.351 -0.555 20 0 DBADRM COC(=O)C1(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1 ZINC001598720660 1017398078 /nfs/dbraw/zinc/39/80/78/1017398078.db2.gz XYKYMZACHDISGM-SECBINFHSA-N -1 0 312.322 -0.621 20 0 DBADRM COC(=O)C1(NC(=O)[C@@H]2[C@H](C)[C@H]2C(=O)NC2(C(=O)[O-])CC2)CC1 ZINC001598723395 1017398130 /nfs/dbraw/zinc/39/81/30/1017398130.db2.gz GIVGYYYUJFPVSV-IWSPIJDZSA-N -1 0 324.333 -0.576 20 0 DBADRM COC(=O)C1(O)CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001598724689 1017398688 /nfs/dbraw/zinc/39/86/88/1017398688.db2.gz SEUHHZTWYFOYSP-UHFFFAOYSA-N -1 0 323.367 -0.573 20 0 DBADRM COC(=O)[C@]1(OC)CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC001598726397 1017401615 /nfs/dbraw/zinc/40/16/15/1017401615.db2.gz SHKXNDQIGSEFKY-KWQFWETISA-N -1 0 309.340 -0.699 20 0 DBADRM COC(=O)C1(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1 ZINC001598720661 1017399246 /nfs/dbraw/zinc/39/92/46/1017399246.db2.gz XYKYMZACHDISGM-VIFPVBQESA-N -1 0 312.322 -0.621 20 0 DBADRM COC(=O)C1(O)CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC001598723743 1017399856 /nfs/dbraw/zinc/39/98/56/1017399856.db2.gz BISNFLKTCJCEAQ-UHFFFAOYSA-N -1 0 311.294 -0.892 20 0 DBADRM COC(=O)[C@]1(OC)CCN([C@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001598726467 1017401038 /nfs/dbraw/zinc/40/10/38/1017401038.db2.gz VKUBMHGYPMUCNO-HZMBPMFUSA-N -1 0 314.338 -0.674 20 0 DBADRM COC(=O)[C@@]1(O)CCN(CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001598725241 1017401730 /nfs/dbraw/zinc/40/17/30/1017401730.db2.gz WQKKGCHNPQZYFF-OAHLLOKOSA-N -1 0 322.317 -0.067 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)CCC1 ZINC001598726505 1017401889 /nfs/dbraw/zinc/40/18/89/1017401889.db2.gz WHBMZRPWVAFVFP-UHFFFAOYSA-N -1 0 320.367 -0.886 20 0 DBADRM COC(=O)C1(NS(=O)(=O)CC(C)(C)C(=O)[O-])CC(CO)C1 ZINC001598725914 1017402273 /nfs/dbraw/zinc/40/22/73/1017402273.db2.gz UMTSZCPXRYXMDH-UHFFFAOYSA-N -1 0 323.367 -0.669 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)Cn1ccccc1=O ZINC001598742357 1017403584 /nfs/dbraw/zinc/40/35/84/1017403584.db2.gz AJNSXSICIAELIR-QWRGUYRKSA-N -1 0 322.317 -0.287 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@H]1CCCC(=O)N1 ZINC001598743741 1017403629 /nfs/dbraw/zinc/40/36/29/1017403629.db2.gz DYXCOYLUGNWJAN-AEJSXWLSSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H](C)NC(C)=O ZINC001598741803 1017403931 /nfs/dbraw/zinc/40/39/31/1017403931.db2.gz IUFDRZUMLFFWKT-SFGNSQDASA-N -1 0 300.311 -0.624 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cc(OC)ncn1 ZINC001598751073 1017405154 /nfs/dbraw/zinc/40/51/54/1017405154.db2.gz LNLPWNYZUUERRS-WPRPVWTQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCC(=O)N1C ZINC001598748139 1017405361 /nfs/dbraw/zinc/40/53/61/1017405361.db2.gz DWYSLAUTZQBCRI-GUBZILKMSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCCCC(N)=O ZINC001598748112 1017405381 /nfs/dbraw/zinc/40/53/81/1017405381.db2.gz DPKIKXZUXNAXHF-UWVGGRQHSA-N -1 0 314.338 -0.103 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)Cc1ccn(C)n1 ZINC001598747398 1017405504 /nfs/dbraw/zinc/40/55/04/1017405504.db2.gz YSDSGLLZQFQBFM-ONGXEEELSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598745175 1017405515 /nfs/dbraw/zinc/40/55/15/1017405515.db2.gz RSBUFKGZHDUGGR-IUCAKERBSA-N -1 0 321.351 -0.821 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC001598751607 1017407184 /nfs/dbraw/zinc/40/71/84/1017407184.db2.gz WBYHJPJQJMIKBO-AEJSXWLSSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)/C=C/Cn1cncn1 ZINC001598760724 1017407397 /nfs/dbraw/zinc/40/73/97/1017407397.db2.gz BBDIDYPKWGBRMS-NTYHVHHESA-N -1 0 322.321 -0.301 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cnc(C)nc1N ZINC001598752532 1017407492 /nfs/dbraw/zinc/40/74/92/1017407492.db2.gz OEXFCOSLVHVRDM-WCBMZHEXSA-N -1 0 322.321 -0.154 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2ccc(C(=O)[O-])n2C)C1 ZINC001598756539 1017407895 /nfs/dbraw/zinc/40/78/95/1017407895.db2.gz MIIQDQPVFBFZIV-BDAKNGLRSA-N -1 0 310.306 -0.281 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)Nc2ccc(C(=O)[O-])nn2)C1 ZINC001598759509 1017408167 /nfs/dbraw/zinc/40/81/67/1017408167.db2.gz XRGBARBELPRQBI-HTQZYQBOSA-N -1 0 324.293 -0.438 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C[C@@H](O)Cn1cccn1 ZINC001598766688 1017408819 /nfs/dbraw/zinc/40/88/19/1017408819.db2.gz GPWAFQSKFSHOON-UTUOFQBUSA-N -1 0 311.338 -0.418 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(C=O)n(C)n1 ZINC001598766166 1017410138 /nfs/dbraw/zinc/41/01/38/1017410138.db2.gz CJAHJBZUWDANNS-GZMMTYOYSA-N -1 0 323.305 -0.289 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCS(C)(=O)=O ZINC001598764700 1017410422 /nfs/dbraw/zinc/41/04/22/1017410422.db2.gz DHUMOUVGEIZXQX-IUCAKERBSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1cnnn1C ZINC001598764713 1017410587 /nfs/dbraw/zinc/41/05/87/1017410587.db2.gz DKIBDMWPBFZHMB-WPRPVWTQSA-N -1 0 310.310 -0.778 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C[C@@H](O)C1(O)CCCC1 ZINC001598772936 1017411361 /nfs/dbraw/zinc/41/13/61/1017411361.db2.gz WIRCCILSAJYGJU-SDDRHHMPSA-N -1 0 315.366 -0.009 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1coc(C(N)=O)c1 ZINC001598769579 1017411421 /nfs/dbraw/zinc/41/14/21/1017411421.db2.gz NEDAEGZEBIHZMN-APPZFPTMSA-N -1 0 324.289 -0.143 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001598772307 1017411844 /nfs/dbraw/zinc/41/18/44/1017411844.db2.gz GBKHZIFBORNVBJ-OPRDCNLKSA-N -1 0 313.306 -0.196 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001598769812 1017412074 /nfs/dbraw/zinc/41/20/74/1017412074.db2.gz DYZUSCSFZJBLFR-XVKPBYJWSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001598769809 1017412386 /nfs/dbraw/zinc/41/23/86/1017412386.db2.gz DYZUSCSFZJBLFR-GMSGAONNSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(OC)nn2)C1 ZINC001598772632 1017412602 /nfs/dbraw/zinc/41/26/02/1017412602.db2.gz MEUPYPSJAZTRPJ-WCBMZHEXSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N=S(C)(C)=O ZINC001598769083 1017412905 /nfs/dbraw/zinc/41/29/05/1017412905.db2.gz MWNMFZPFPPVIGI-DTWKUNHWSA-N -1 0 320.367 -0.421 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1nnn(C)c1C ZINC001598774585 1017413796 /nfs/dbraw/zinc/41/37/96/1017413796.db2.gz ZFVFKENHFNAVTG-IUCAKERBSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cncc(OC)n1 ZINC001598774328 1017413868 /nfs/dbraw/zinc/41/38/68/1017413868.db2.gz ZBVYMPFXIZZBOL-WPRPVWTQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2nonc2C)C1 ZINC001598774785 1017414538 /nfs/dbraw/zinc/41/45/38/1017414538.db2.gz LEGKGLUDGNBWMP-WPRPVWTQSA-N -1 0 311.294 -0.215 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CSCC(N)=O)C1 ZINC001598776458 1017414899 /nfs/dbraw/zinc/41/48/99/1017414899.db2.gz OPBSKROQGZHIEA-HTQZYQBOSA-N -1 0 318.351 -0.930 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cn(C)ccc1=O ZINC001598774607 1017415021 /nfs/dbraw/zinc/41/50/21/1017415021.db2.gz ZIHMIPJSRPQTEE-ONGXEEELSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001598774078 1017415087 /nfs/dbraw/zinc/41/50/87/1017415087.db2.gz PPOAOOSERZPLBA-OIBJUYFYSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(CC(=O)N=S(C)(C)=O)C1 ZINC001598774085 1017415115 /nfs/dbraw/zinc/41/51/15/1017415115.db2.gz CQHPEYFMCZKRRW-DTWKUNHWSA-N -1 0 320.367 -0.421 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cn(C)ccc2=O)C1 ZINC001598773573 1017415180 /nfs/dbraw/zinc/41/51/80/1017415180.db2.gz BDDSEMJRMXWMCL-ONGXEEELSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001598776717 1017415258 /nfs/dbraw/zinc/41/52/58/1017415258.db2.gz JKAAMKAZVPXXSU-IONNQARKSA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)CCS(C)(=O)=O)C1 ZINC001598775933 1017415268 /nfs/dbraw/zinc/41/52/68/1017415268.db2.gz NUTZJBDBTXLLRC-DTWKUNHWSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)C2CN(C(C)=O)C2)C1 ZINC001598782684 1017416907 /nfs/dbraw/zinc/41/69/07/1017416907.db2.gz QVSDZJVMWOTRHR-ONGXEEELSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)C1CCC(NC(=O)Cn2cncn2)(C(=O)[O-])CC1 ZINC001598786149 1017417073 /nfs/dbraw/zinc/41/70/73/1017417073.db2.gz ATILSJCGENDRBP-UHFFFAOYSA-N -1 0 310.310 -0.419 20 0 DBADRM COC(=O)C1CCC(S(=O)(=O)N[C@@H](CO)C(=O)[O-])CC1 ZINC001598786856 1017417643 /nfs/dbraw/zinc/41/76/43/1017417643.db2.gz FWCXMEKFWIVADL-HACHORDNSA-N -1 0 309.340 -0.917 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@@H](O)CC(=O)[O-] ZINC001598787454 1017417698 /nfs/dbraw/zinc/41/76/98/1017417698.db2.gz JVTBWSXAMIIBEH-IVZWLZJFSA-N -1 0 323.367 -0.527 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc[n+]2[O-])C1 ZINC001598778419 1017417805 /nfs/dbraw/zinc/41/78/05/1017417805.db2.gz NGBWXKGGDIVNJD-ONGXEEELSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(S(=O)(=O)C2COC2)C1 ZINC001598783364 1017417887 /nfs/dbraw/zinc/41/78/87/1017417887.db2.gz CBZDTPHYQZIQCD-CBAPKCEASA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001598791474 1017418490 /nfs/dbraw/zinc/41/84/90/1017418490.db2.gz XVALYLRVCILMNF-QMMMGPOBSA-N -1 0 321.289 -0.260 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCc2cnn(C)n2)[C@@H](C(=O)[O-])C1 ZINC001598791176 1017418569 /nfs/dbraw/zinc/41/85/69/1017418569.db2.gz HTUOQKQWXZWTTK-MWLCHTKSSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)O[C@@H](C(=O)[O-])C2CC2)C1=O ZINC001598789300 1017419064 /nfs/dbraw/zinc/41/90/64/1017419064.db2.gz LFASATKPGKKWCI-MWLCHTKSSA-N -1 0 313.306 -0.196 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H](O)CCSC)[C@@H](C(=O)[O-])C1 ZINC001598788951 1017419248 /nfs/dbraw/zinc/41/92/48/1017419248.db2.gz INAOVLVKIDHFAM-OPRDCNLKSA-N -1 0 319.379 -0.035 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1=O ZINC001598789039 1017419569 /nfs/dbraw/zinc/41/95/69/1017419569.db2.gz TTXSGPOXVCKIIP-UXCLJVHYSA-N -1 0 324.333 -0.813 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H](C)NC(C)=O)[C@@H](C(=O)[O-])C1 ZINC001598791537 1017419589 /nfs/dbraw/zinc/41/95/89/1017419589.db2.gz YLYBADAGXVCNEX-FXBDTBDDSA-N -1 0 300.311 -0.624 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)NCC2(C(=O)[O-])CC2)C1=O ZINC001598789315 1017419796 /nfs/dbraw/zinc/41/97/96/1017419796.db2.gz LNFHRISNUBMQOY-VIFPVBQESA-N -1 0 312.322 -0.621 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H](O)CCSC)[C@H](C(=O)[O-])C1 ZINC001598788950 1017419802 /nfs/dbraw/zinc/41/98/02/1017419802.db2.gz INAOVLVKIDHFAM-KXUCPTDWSA-N -1 0 319.379 -0.035 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@H](C(=O)[O-])C1 ZINC001598792576 1017420097 /nfs/dbraw/zinc/42/00/97/1017420097.db2.gz MWBKFNGTQUPTRT-BBBLOLIVSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1CCN(CCCS(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC001598797632 1017420942 /nfs/dbraw/zinc/42/09/42/1017420942.db2.gz BTCFVSIBGGYFFY-VHSXEESVSA-N -1 0 307.368 -0.241 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CO[C@@H]2CCOC2)[C@H](C(=O)[O-])C1 ZINC001598795438 1017421302 /nfs/dbraw/zinc/42/13/02/1017421302.db2.gz ZMARUGHNPWBWMB-MXWKQRLJSA-N -1 0 315.322 -0.343 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H]2NC(=O)O[C@H]2C)[C@@H](C(=O)[O-])C1 ZINC001598794005 1017421542 /nfs/dbraw/zinc/42/15/42/1017421542.db2.gz RUYPKPBQJFLLBS-JQCXWYLXSA-N -1 0 314.294 -0.652 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)[C@@H]1C ZINC001598794059 1017421714 /nfs/dbraw/zinc/42/17/14/1017421714.db2.gz OCVBKLVYXBIWSR-ZJUUUORDSA-N -1 0 322.317 -0.044 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cccn(C)c2=O)[C@@H](C(=O)[O-])C1 ZINC001598794932 1017422596 /nfs/dbraw/zinc/42/25/96/1017422596.db2.gz MLQONIHLBGUTPI-GXSJLCMTSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)OC2=O)C[C@@H]1C(=O)[O-] ZINC001598805076 1017423955 /nfs/dbraw/zinc/42/39/55/1017423955.db2.gz BEKPBFHJLANLID-RBXMUDONSA-N -1 0 314.294 -0.794 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2CCC2(C)C)C[C@@H]1C(=O)[O-] ZINC001598802538 1017424047 /nfs/dbraw/zinc/42/40/47/1017424047.db2.gz DGQGLUDLCGRNHZ-IUCAKERBSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCC[C@@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001598806092 1017424127 /nfs/dbraw/zinc/42/41/27/1017424127.db2.gz BKXYQTUNWMGFSD-GMTAPVOTSA-N -1 0 314.338 -0.072 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(F)(F)C2(O)CCC2)C[C@H]1C(=O)[O-] ZINC001598805894 1017424890 /nfs/dbraw/zinc/42/48/90/1017424890.db2.gz FOYYQXAWMLUJJQ-HTQZYQBOSA-N -1 0 321.276 -0.131 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCC2CCOCC2)C[C@H]1C(=O)[O-] ZINC001598808451 1017426133 /nfs/dbraw/zinc/42/61/33/1017426133.db2.gz MAFSQYYOYXVWCM-GHMZBOCLSA-N -1 0 314.338 -0.072 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCCNC(C)=O)C[C@H]1C(=O)[O-] ZINC001598808041 1017426919 /nfs/dbraw/zinc/42/69/19/1017426919.db2.gz KMQBKICWXQZMHE-ZJUUUORDSA-N -1 0 315.326 -0.972 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1C(=O)[O-] ZINC001598810748 1017427276 /nfs/dbraw/zinc/42/72/76/1017427276.db2.gz VHYYPEHECBXJAN-BDAKNGLRSA-N -1 0 315.713 -0.131 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCOCC2CC2)C[C@H]1C(=O)[O-] ZINC001598812510 1017428179 /nfs/dbraw/zinc/42/81/79/1017428179.db2.gz ZWRWSEMQIBDXAK-GHMZBOCLSA-N -1 0 314.338 -0.072 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)C)C[C@H]1C(=O)[O-] ZINC001598813787 1017428324 /nfs/dbraw/zinc/42/83/24/1017428324.db2.gz HVVBRWJQBWGSHR-HLTSFMKQSA-N -1 0 315.326 -0.989 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C[C@@H]1C(=O)OC ZINC001598813905 1017428360 /nfs/dbraw/zinc/42/83/60/1017428360.db2.gz IIBPIMSFJVTAPJ-JXUBOQSCSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)COc2cccnc2)C[C@H]1C(=O)[O-] ZINC001598813282 1017428391 /nfs/dbraw/zinc/42/83/91/1017428391.db2.gz UIVGUDJLMSXEJA-MNOVXSKESA-N -1 0 308.290 -0.207 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](C)c2cnn(C)c2)C[C@H]1C(=O)[O-] ZINC001598810823 1017428503 /nfs/dbraw/zinc/42/85/03/1017428503.db2.gz WJOMZIXRCRUXBP-FBIMIBRVSA-N -1 0 324.337 -0.004 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1C(=O)[O-] ZINC001598811095 1017428553 /nfs/dbraw/zinc/42/85/53/1017428553.db2.gz YQGPHICTJYNMJE-YUSALJHKSA-N -1 0 321.333 -0.222 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@@H]1C(=O)[O-] ZINC001598811177 1017429061 /nfs/dbraw/zinc/42/90/61/1017429061.db2.gz YUEZITNMNVIWJC-HRDYMLBCSA-N -1 0 322.321 -0.443 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C[C@H]1C(=O)OC ZINC001598813910 1017429086 /nfs/dbraw/zinc/42/90/86/1017429086.db2.gz IIBPIMSFJVTAPJ-SGIHWFKDSA-N -1 0 313.306 -0.482 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCOC2)C[C@@H]1C(=O)[O-] ZINC001598813553 1017429236 /nfs/dbraw/zinc/42/92/36/1017429236.db2.gz GPCIMKRRERFOLM-LPEHRKFASA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)C)C[C@@H]1C(=O)[O-] ZINC001598813831 1017429359 /nfs/dbraw/zinc/42/93/59/1017429359.db2.gz HVVBRWJQBWGSHR-YIZRAAEISA-N -1 0 315.326 -0.989 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N[C@H]2CCCOC2)C[C@H]1C(=O)[O-] ZINC001598813547 1017429437 /nfs/dbraw/zinc/42/94/37/1017429437.db2.gz GPCIMKRRERFOLM-AEJSXWLSSA-N -1 0 300.311 -0.319 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccc(OC)nn2)C[C@@H]1C(=O)[O-] ZINC001598817763 1017430724 /nfs/dbraw/zinc/43/07/24/1017430724.db2.gz NVBBUTGKDWVQQC-YUMQZZPRSA-N -1 0 309.278 -0.569 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2cnsn2)C[C@H]1C(=O)[O-] ZINC001598814929 1017430914 /nfs/dbraw/zinc/43/09/14/1017430914.db2.gz NBEZWRWQCQEXTN-PHDIDXHHSA-N -1 0 300.296 -0.124 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2cnsn2)C[C@H]1C(=O)[O-] ZINC001598814930 1017430987 /nfs/dbraw/zinc/43/09/87/1017430987.db2.gz NBEZWRWQCQEXTN-RITPCOANSA-N -1 0 300.296 -0.124 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@@H]1C(=O)[O-] ZINC001598815882 1017431025 /nfs/dbraw/zinc/43/10/25/1017431025.db2.gz QBYODHWJXYPHKR-UWVGGRQHSA-N -1 0 308.290 -0.371 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@@H]1C(=O)[O-] ZINC001598815304 1017431660 /nfs/dbraw/zinc/43/16/60/1017431660.db2.gz ORJGLFWRQNCDMA-AXFHLTTASA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1C(=O)[O-] ZINC001598817762 1017431936 /nfs/dbraw/zinc/43/19/36/1017431936.db2.gz NVBBUTGKDWVQQC-SFYZADRCSA-N -1 0 309.278 -0.569 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2ncncc2OC)C[C@H]1C(=O)[O-] ZINC001598815411 1017431965 /nfs/dbraw/zinc/43/19/65/1017431965.db2.gz PIOFMSNSOVAHQW-HTQZYQBOSA-N -1 0 324.293 -0.177 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cc(F)c[nH]c2=O)C[C@H]1C(=O)[O-] ZINC001598815367 1017431986 /nfs/dbraw/zinc/43/19/86/1017431986.db2.gz HCROPFMTWTXXQB-BDAKNGLRSA-N -1 0 312.253 -0.128 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cc(F)c[nH]c2=O)C[C@@H]1C(=O)[O-] ZINC001598815369 1017432097 /nfs/dbraw/zinc/43/20/97/1017432097.db2.gz HCROPFMTWTXXQB-DTWKUNHWSA-N -1 0 312.253 -0.128 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2cnn(C)c2)C[C@H]1C(=O)[O-] ZINC001598815131 1017432199 /nfs/dbraw/zinc/43/21/99/1017432199.db2.gz KPLGLFKORIXTAR-ZJUUUORDSA-N -1 0 310.310 -0.565 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccc(C(N)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598816097 1017432332 /nfs/dbraw/zinc/43/23/32/1017432332.db2.gz JMXQVQUBRTUCRP-MNOVXSKESA-N -1 0 320.301 -0.269 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1C(=O)[O-] ZINC001598821059 1017433972 /nfs/dbraw/zinc/43/39/72/1017433972.db2.gz IWBGCOPSTRRFNH-ZJUUUORDSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@@H]1C(=O)[O-] ZINC001598820306 1017433982 /nfs/dbraw/zinc/43/39/82/1017433982.db2.gz WFHGDADKEFZRNI-DTWKUNHWSA-N -1 0 321.289 -0.874 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)NCc2ccco2)C[C@H]1C(=O)[O-] ZINC001598822548 1017433996 /nfs/dbraw/zinc/43/39/96/1017433996.db2.gz QXEGSOSMHJLYCX-GHMZBOCLSA-N -1 0 310.306 -0.299 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(CO)nc2)C[C@H]1C(=O)[O-] ZINC001598819909 1017434524 /nfs/dbraw/zinc/43/45/24/1017434524.db2.gz VDBMPSBKFZOHNA-GHMZBOCLSA-N -1 0 308.290 -0.480 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cncc(C=O)c2)C[C@@H]1C(=O)[O-] ZINC001598822326 1017435220 /nfs/dbraw/zinc/43/52/20/1017435220.db2.gz PWEPNJHJGRMDPP-WDEREUQCSA-N -1 0 306.274 -0.160 20 0 DBADRM Cn1nccc1CCC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497590263 1017435786 /nfs/dbraw/zinc/43/57/86/1017435786.db2.gz HFNMQDOLEBRVCZ-NSCUHMNNSA-N -1 0 319.369 -0.361 20 0 DBADRM COC(=O)[C@H]1CN(Cc2nc(C3CC3)nn2C)C[C@@H]1C(=O)[O-] ZINC001598824901 1017436271 /nfs/dbraw/zinc/43/62/71/1017436271.db2.gz IRNOJJZGGUKOHW-UWVGGRQHSA-N -1 0 308.338 -0.002 20 0 DBADRM COC(=O)[C@@H]1CSCCN1CCC(=O)N(C)CC(=O)[O-] ZINC001598825944 1017436394 /nfs/dbraw/zinc/43/63/94/1017436394.db2.gz QFGPTPMBQRQUKH-VIFPVBQESA-N -1 0 304.368 -0.490 20 0 DBADRM COC(=O)[C@H]1CN(c2cc(-n3ccnc3)ncn2)C[C@@H]1C(=O)[O-] ZINC001598824868 1017436409 /nfs/dbraw/zinc/43/64/09/1017436409.db2.gz BFTGLSKOKRTCPM-UWVGGRQHSA-N -1 0 317.305 -0.028 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CC2)CCO1 ZINC001598825147 1017436647 /nfs/dbraw/zinc/43/66/47/1017436647.db2.gz JRDWQXVQDKLPAC-QMMMGPOBSA-N -1 0 307.324 -0.945 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)Cc2ccno2)C[C@@H]1C(=O)[O-] ZINC001598826626 1017437287 /nfs/dbraw/zinc/43/72/87/1017437287.db2.gz NVXHBGHSSFFCNJ-IUCAKERBSA-N -1 0 318.307 -0.690 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)N(C)CC(C)C)C[C@@H]1C(=O)[O-] ZINC001598825415 1017437668 /nfs/dbraw/zinc/43/76/68/1017437668.db2.gz KKJVNACBDJMZJD-UWVGGRQHSA-N -1 0 322.383 -0.375 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccno2)C[C@@H]1C(=O)[O-] ZINC001598826623 1017437788 /nfs/dbraw/zinc/43/77/88/1017437788.db2.gz NVXHBGHSSFFCNJ-DTWKUNHWSA-N -1 0 318.307 -0.690 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1C(=O)[O-] ZINC001598823608 1017437901 /nfs/dbraw/zinc/43/79/01/1017437901.db2.gz WXPGGVMQDZFFSP-ZJUUUORDSA-N -1 0 323.305 -0.389 20 0 DBADRM COC(=O)[C@@H]1CN(c2ccc3nc(C)nn3n2)C[C@@H]1C(=O)[O-] ZINC001598828743 1017439435 /nfs/dbraw/zinc/43/94/35/1017439435.db2.gz SCMIWPXZYFWMCY-DTWKUNHWSA-N -1 0 305.294 -0.257 20 0 DBADRM COC(=O)C=C[C@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001598830569 1017439741 /nfs/dbraw/zinc/43/97/41/1017439741.db2.gz JAIGVFCGPNEWLD-SYDCGGLASA-N -1 0 303.296 -0.496 20 0 DBADRM COC(=O)CC(C)(C)CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001598830470 1017439968 /nfs/dbraw/zinc/43/99/68/1017439968.db2.gz BJPBDBMVFRCVOA-SECBINFHSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)C[C@H](NC(=O)[C@H](O)c1cccc(OC)c1)C(=O)[O-] ZINC001598836378 1017439989 /nfs/dbraw/zinc/43/99/89/1017439989.db2.gz BAQXCSCYNYFUIU-CMPLNLGQSA-N -1 0 311.290 -0.139 20 0 DBADRM COC(=O)CC(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001598831117 1017440738 /nfs/dbraw/zinc/44/07/38/1017440738.db2.gz HHGBNPSIZJUUPI-UHFFFAOYSA-N -1 0 307.324 -0.912 20 0 DBADRM COC(=O)/C=C(\C)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001598832759 1017440932 /nfs/dbraw/zinc/44/09/32/1017440932.db2.gz XAVZSJHVGUTSSK-CYNRKNSPSA-N -1 0 305.352 -0.321 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1cnc2c(c1)nnn2C)C(=O)[O-] ZINC001598840467 1017441738 /nfs/dbraw/zinc/44/17/38/1017441738.db2.gz MNLKBXXTQDJYQD-QMMMGPOBSA-N -1 0 307.266 -0.891 20 0 DBADRM COC(=O)C[C@@H](O)CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001598841114 1017442559 /nfs/dbraw/zinc/44/25/59/1017442559.db2.gz ZDZUXAQSKBCXEZ-IVZWLZJFSA-N -1 0 303.311 -0.704 20 0 DBADRM COC(=O)CC1(NC(=O)CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001598843184 1017443906 /nfs/dbraw/zinc/44/39/06/1017443906.db2.gz OLUNEBPUALVRKU-UHFFFAOYSA-N -1 0 307.324 -0.912 20 0 DBADRM COC(=O)CC1(NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1 ZINC001598843921 1017443971 /nfs/dbraw/zinc/44/39/71/1017443971.db2.gz SXEQSOJXKQVBRE-UHFFFAOYSA-N -1 0 303.296 -0.518 20 0 DBADRM COC(=O)C[C@H]1COCCN1C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1 ZINC001598844562 1017444511 /nfs/dbraw/zinc/44/45/11/1017444511.db2.gz PLMFYXVWGROPRZ-GMOBBJLQSA-N -1 0 315.322 -0.345 20 0 DBADRM COC(=O)CC1CC(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1 ZINC001598846694 1017444908 /nfs/dbraw/zinc/44/49/08/1017444908.db2.gz QJLBSGPPCSDDQY-DJRKXVOMSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)C[C@@]1(NC(=O)Cn2cc(C(=O)[O-])cn2)CCOC1 ZINC001598843233 1017445041 /nfs/dbraw/zinc/44/50/41/1017445041.db2.gz QTOHISXXQZZCQB-ZDUSSCGKSA-N -1 0 311.294 -0.580 20 0 DBADRM CCc1c(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cnn1C ZINC001497622630 1017446141 /nfs/dbraw/zinc/44/61/41/1017446141.db2.gz DEUCSWHPZOUOLD-PLNGDYQASA-N -1 0 319.369 -0.118 20 0 DBADRM COC(=O)CCCNC(=S)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001598851962 1017447201 /nfs/dbraw/zinc/44/72/01/1017447201.db2.gz FBMJCHGHJPLQQI-RKDXNWHRSA-N -1 0 304.368 -0.012 20 0 DBADRM COC(=O)CCCNC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001598852124 1017447259 /nfs/dbraw/zinc/44/72/59/1017447259.db2.gz JMFHWMQUZLXWGE-IUCAKERBSA-N -1 0 316.310 -0.545 20 0 DBADRM COC(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001598847689 1017447277 /nfs/dbraw/zinc/44/72/77/1017447277.db2.gz OYSCALDSUHCJBW-OPRDCNLKSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)CCCCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598850646 1017447624 /nfs/dbraw/zinc/44/76/24/1017447624.db2.gz IKRZQZBQXDEJFQ-UHFFFAOYSA-N -1 0 305.312 -0.271 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001598847686 1017447979 /nfs/dbraw/zinc/44/79/79/1017447979.db2.gz OYSCALDSUHCJBW-GUBZILKMSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)CCCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001598852125 1017448806 /nfs/dbraw/zinc/44/88/06/1017448806.db2.gz JMFHWMQUZLXWGE-RKDXNWHRSA-N -1 0 316.310 -0.545 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CNC(=O)c1cccnc1)C(=O)[O-] ZINC001598856774 1017449797 /nfs/dbraw/zinc/44/97/97/1017449797.db2.gz VFPUEKVTDLSISJ-SNVBAGLBSA-N -1 0 323.305 -0.666 20 0 DBADRM COC(=O)CCNC(=O)[C@@H]1CCC[C@@H]1C(=O)NCCC(=O)[O-] ZINC001598854648 1017450201 /nfs/dbraw/zinc/45/02/01/1017450201.db2.gz MGXGCBOUSMYCRN-VHSXEESVSA-N -1 0 314.338 -0.327 20 0 DBADRM COC(=O)CCN1CC[C@@H](N2CC[C@](F)(C(=O)[O-])C2)C1=O ZINC001598854254 1017450736 /nfs/dbraw/zinc/45/07/36/1017450736.db2.gz UYUCPZPEFPYMAH-NOZJJQNGSA-N -1 0 302.302 -0.351 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)c1cccc(C(=O)[O-])n1 ZINC001598854468 1017450850 /nfs/dbraw/zinc/45/08/50/1017450850.db2.gz ITJOFGVAHRBGLM-UHFFFAOYSA-N -1 0 310.262 -0.384 20 0 DBADRM COC(=O)CCNC(=O)CN1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC001598854919 1017451159 /nfs/dbraw/zinc/45/11/59/1017451159.db2.gz PIGSLQQTEWNXBQ-ZJUUUORDSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CCc2cncn2C1)C(=O)[O-] ZINC001598856252 1017451374 /nfs/dbraw/zinc/45/13/74/1017451374.db2.gz SOFPKDNVWLBHDA-MWLCHTKSSA-N -1 0 309.322 -0.032 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)NCCCC(=O)[O-] ZINC001598855502 1017451439 /nfs/dbraw/zinc/45/14/39/1017451439.db2.gz WJAZAKCRPUYMGE-UHFFFAOYSA-N -1 0 303.315 -0.780 20 0 DBADRM COC(=O)CCNC(=O)[C@H]1CCC[C@H]1C(=O)NCCC(=O)[O-] ZINC001598854649 1017451494 /nfs/dbraw/zinc/45/14/94/1017451494.db2.gz MGXGCBOUSMYCRN-ZJUUUORDSA-N -1 0 314.338 -0.327 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H](OC)c1cnn(C)c1)C(=O)[O-] ZINC001598855093 1017451547 /nfs/dbraw/zinc/45/15/47/1017451547.db2.gz DEKSJJQRZJYZRK-MWLCHTKSSA-N -1 0 313.310 -0.370 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001598860828 1017452431 /nfs/dbraw/zinc/45/24/31/1017452431.db2.gz PVLHTKYJSXEGKX-QMMMGPOBSA-N -1 0 310.310 -0.994 20 0 DBADRM COC(=O)CN(C)CCNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001598859462 1017452872 /nfs/dbraw/zinc/45/28/72/1017452872.db2.gz AJQVJSDDHPWWEY-UHFFFAOYSA-N -1 0 322.383 -0.735 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CS(=O)(=O)C(C)(C)C ZINC001598859978 1017453413 /nfs/dbraw/zinc/45/34/13/1017453413.db2.gz DKFJTEJUCGIKLT-UHFFFAOYSA-N -1 0 309.340 -0.714 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cc1cnn2ccccc12 ZINC001598860075 1017453868 /nfs/dbraw/zinc/45/38/68/1017453868.db2.gz MFSBAXXKNGMVTG-UHFFFAOYSA-N -1 0 305.290 -0.037 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cnc(C)s1 ZINC001598862131 1017455292 /nfs/dbraw/zinc/45/52/92/1017455292.db2.gz BQIPDOIEPVWCBY-UHFFFAOYSA-N -1 0 308.337 -0.300 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)c1cc(C(=O)[O-])on1 ZINC001598862754 1017455491 /nfs/dbraw/zinc/45/54/91/1017455491.db2.gz ZQHLHLDCNGSWEY-UHFFFAOYSA-N -1 0 300.223 -0.839 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[C@H](C)CC(=O)[O-] ZINC001598864533 1017455749 /nfs/dbraw/zinc/45/57/49/1017455749.db2.gz IYIFGKQEOMDBTH-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)COCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001598864394 1017455793 /nfs/dbraw/zinc/45/57/93/1017455793.db2.gz HPUROZDUKKOQNL-IUCAKERBSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C[C@@]2(CCCOC2)C1=O ZINC001598863662 1017455931 /nfs/dbraw/zinc/45/59/31/1017455931.db2.gz UQIFJGRWULTEBW-CYBMUJFWSA-N -1 0 300.311 -0.858 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])co1 ZINC001598864313 1017455937 /nfs/dbraw/zinc/45/59/37/1017455937.db2.gz FWCOKBHTSARUQO-SECBINFHSA-N -1 0 324.289 -0.128 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1c(C)coc1CC(=O)[O-] ZINC001598864176 1017456256 /nfs/dbraw/zinc/45/62/56/1017456256.db2.gz DGHICMZVZACTIM-UHFFFAOYSA-N -1 0 312.278 -0.766 20 0 DBADRM COC(=O)CN(CCN1CCOCC1)c1ccnc(C(=O)[O-])n1 ZINC001598862504 1017456448 /nfs/dbraw/zinc/45/64/48/1017456448.db2.gz ATSBDUXQLGSEON-UHFFFAOYSA-N -1 0 324.337 -0.514 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cn1nc(C(F)(F)F)ccc1=O ZINC001598862308 1017456478 /nfs/dbraw/zinc/45/64/78/1017456478.db2.gz BAACUCYQFCDWJT-UHFFFAOYSA-N -1 0 323.227 -0.221 20 0 DBADRM COC(=O)COCCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001598866146 1017457537 /nfs/dbraw/zinc/45/75/37/1017457537.db2.gz QEMBZKQQSNCBMI-VHSXEESVSA-N -1 0 303.311 -0.295 20 0 DBADRM COC(=O)COCCNS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001598864877 1017457860 /nfs/dbraw/zinc/45/78/60/1017457860.db2.gz CQJWEMPPDPJOJR-UHFFFAOYSA-N -1 0 323.367 -0.260 20 0 DBADRM COC(=O)COCCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001598866476 1017457918 /nfs/dbraw/zinc/45/79/18/1017457918.db2.gz VMJIDSAXANQHGI-UHFFFAOYSA-N -1 0 324.336 -0.691 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1c1nccc(C(=O)[O-])n1 ZINC001598865411 1017457980 /nfs/dbraw/zinc/45/79/80/1017457980.db2.gz RJPRLKCGIUUHJH-VIFPVBQESA-N -1 0 308.294 -0.567 20 0 DBADRM COC(=O)COCC(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001598864757 1017458072 /nfs/dbraw/zinc/45/80/72/1017458072.db2.gz OJXINOYACZWQBW-DTWKUNHWSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)COCC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001598865797 1017458717 /nfs/dbraw/zinc/45/87/17/1017458717.db2.gz KHOUHLUUDKKWNE-UHFFFAOYSA-N -1 0 300.267 -0.086 20 0 DBADRM COC(=O)CNC(=O)CN1[C@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001598865998 1017458868 /nfs/dbraw/zinc/45/88/68/1017458868.db2.gz YYDDWAWKGFTGRP-RCWTZXSCSA-N -1 0 314.338 -0.629 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001598865071 1017458999 /nfs/dbraw/zinc/45/89/99/1017458999.db2.gz OUXRRVFBSLNXCR-UHFFFAOYSA-N -1 0 324.289 -0.831 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1c1nccc(C(=O)[O-])n1 ZINC001598865410 1017459201 /nfs/dbraw/zinc/45/92/01/1017459201.db2.gz RJPRLKCGIUUHJH-SECBINFHSA-N -1 0 308.294 -0.567 20 0 DBADRM COC(=O)Cn1cc(CCOC(=O)c2c[nH]c(C(=O)[O-])c2)nn1 ZINC001598876452 1017459952 /nfs/dbraw/zinc/45/99/52/1017459952.db2.gz ROTMABJKCSQGNQ-UHFFFAOYSA-N -1 0 322.277 -0.123 20 0 DBADRM COC(=O)N(C)CC(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001598875911 1017460187 /nfs/dbraw/zinc/46/01/87/1017460187.db2.gz HSLFPFZJFIPIDB-JTQLQIEISA-N -1 0 304.299 -0.547 20 0 DBADRM COC(=O)Cn1ccc(N[C@@H]2CCN(CCC(=O)[O-])C2=O)n1 ZINC001598875259 1017460232 /nfs/dbraw/zinc/46/02/32/1017460232.db2.gz ZRTAYOSOGOISOY-SECBINFHSA-N -1 0 310.310 -0.456 20 0 DBADRM COC(=O)N(C)CCNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001598877876 1017460765 /nfs/dbraw/zinc/46/07/65/1017460765.db2.gz YTFYUMNQPWDCLI-IUCAKERBSA-N -1 0 303.315 -0.838 20 0 DBADRM COC(=O)N1CC(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])C1 ZINC001598876082 1017461060 /nfs/dbraw/zinc/46/10/60/1017461060.db2.gz QUKNGERPEKGAPX-VIFPVBQESA-N -1 0 313.310 -0.981 20 0 DBADRM COC(=O)C[C@@H](OC(=O)c1c[nH]nc1-c1cnn(C)c1)C(=O)[O-] ZINC001598869594 1017461106 /nfs/dbraw/zinc/46/11/06/1017461106.db2.gz WFVCMIUUYHNGKO-SECBINFHSA-N -1 0 322.277 -0.017 20 0 DBADRM COC(=O)Cn1cc(CCN2CCO[C@H](CC(=O)[O-])C2)nn1 ZINC001598875565 1017461733 /nfs/dbraw/zinc/46/17/33/1017461733.db2.gz GANJGMZMDNCAGJ-LLVKDONJSA-N -1 0 312.326 -0.831 20 0 DBADRM COC(=O)Cn1ccc(N[C@H]2CCCN(CCC(=O)[O-])C2=O)n1 ZINC001598875046 1017461838 /nfs/dbraw/zinc/46/18/38/1017461838.db2.gz OYSWPKSYRSGFNG-JTQLQIEISA-N -1 0 324.337 -0.066 20 0 DBADRM COC(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(O)c1 ZINC001598882688 1017462560 /nfs/dbraw/zinc/46/25/60/1017462560.db2.gz FCXLUHOWXJJNRC-NSHDSACASA-N -1 0 312.278 -0.001 20 0 DBADRM COC(=O)NCC(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001598882838 1017462605 /nfs/dbraw/zinc/46/26/05/1017462605.db2.gz IANTZMOEWJOJDC-QMMMGPOBSA-N -1 0 323.309 -0.774 20 0 DBADRM COC(=O)N1CCC(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)CC1 ZINC001598880319 1017462726 /nfs/dbraw/zinc/46/27/26/1017462726.db2.gz RBOIQNSGRVASMN-ZDUSSCGKSA-N -1 0 300.311 -0.487 20 0 DBADRM COC(=O)NCCC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001598883128 1017462873 /nfs/dbraw/zinc/46/28/73/1017462873.db2.gz LEIIUJZULIAQTR-IUCAKERBSA-N -1 0 316.310 -0.403 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CCSC[C@@H](C(=O)[O-])C2)C1 ZINC001598878538 1017463016 /nfs/dbraw/zinc/46/30/16/1017463016.db2.gz GBARYQQQDHLPJF-QMMMGPOBSA-N -1 0 317.367 -0.104 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CCSC[C@H](C(=O)[O-])C2)C1 ZINC001598878536 1017463215 /nfs/dbraw/zinc/46/32/15/1017463215.db2.gz GBARYQQQDHLPJF-MRVPVSSYSA-N -1 0 317.367 -0.104 20 0 DBADRM COC(=O)NCC(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001598883085 1017463598 /nfs/dbraw/zinc/46/35/98/1017463598.db2.gz JRDOBUAISVYBNN-MRVPVSSYSA-N -1 0 302.283 -0.649 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001598884025 1017465273 /nfs/dbraw/zinc/46/52/73/1017465273.db2.gz FHANNCYDMYRYMR-DJLDLDEBSA-N -1 0 316.310 -0.404 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001598890686 1017466048 /nfs/dbraw/zinc/46/60/48/1017466048.db2.gz UMGGAGACXGOVGZ-WCBMZHEXSA-N -1 0 324.337 -0.557 20 0 DBADRM COC(=O)NCCNS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001598885523 1017466086 /nfs/dbraw/zinc/46/60/86/1017466086.db2.gz XUTXGHGLPGCWJL-UHFFFAOYSA-N -1 0 306.296 -0.079 20 0 DBADRM COC(=O)NCCNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001598885318 1017466457 /nfs/dbraw/zinc/46/64/57/1017466457.db2.gz UDXRXNJNPSYHAR-UHFFFAOYSA-N -1 0 303.296 -0.586 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001598889553 1017466604 /nfs/dbraw/zinc/46/66/04/1017466604.db2.gz LSFITQOVAAKKDY-FWKUWYBHSA-N -1 0 314.290 -0.212 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001598884237 1017466725 /nfs/dbraw/zinc/46/67/25/1017466725.db2.gz QXIDUYLOQPRJDL-FXQIFTODSA-N -1 0 302.283 -0.937 20 0 DBADRM COC(=O)NCCCC(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001598883871 1017466769 /nfs/dbraw/zinc/46/67/69/1017466769.db2.gz VJJVVOLHOWSKSJ-UWVGGRQHSA-N -1 0 302.327 -0.024 20 0 DBADRM COC(=O)[C@@H](NC(=O)C[NH2+][C@H]1CCO[C@H]1C(=O)[O-])C(C)C ZINC001598893967 1017468157 /nfs/dbraw/zinc/46/81/57/1017468157.db2.gz MLOFZMSWFKGNKR-INTQDDNPSA-N -1 0 302.327 -0.868 20 0 DBADRM C[C@H](C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)[C@H]1CCC(=O)N1 ZINC001497683722 1017467947 /nfs/dbraw/zinc/46/79/47/1017467947.db2.gz RZSVZKZDFXADBO-YLBDSCSXSA-N -1 0 322.369 -0.813 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCCCS1(=O)=O ZINC001598891277 1017468462 /nfs/dbraw/zinc/46/84/62/1017468462.db2.gz FPAYPSYHOYZXJK-BDAKNGLRSA-N -1 0 321.351 -0.524 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)NCCOCC(=O)[O-])C1 ZINC001598896500 1017468803 /nfs/dbraw/zinc/46/88/03/1017468803.db2.gz JIROCUHTUAITGP-BDAKNGLRSA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CC[C@H]1C(=O)OC ZINC001598892362 1017469490 /nfs/dbraw/zinc/46/94/90/1017469490.db2.gz HGRPRNUSHYLZIG-DJLDLDEBSA-N -1 0 301.295 -0.292 20 0 DBADRM COC(=O)[C@@H]1CN(Cc2cn(CC(=O)[O-])nn2)C[C@H]1C1CC1 ZINC001598898828 1017471643 /nfs/dbraw/zinc/47/16/43/1017471643.db2.gz LKROGFNBJLJXAM-NWDGAFQWSA-N -1 0 308.338 -0.006 20 0 DBADRM COC(=O)[C@H]1[C@@H]2CN(C(=O)CN3CCC[C@H](C(=O)[O-])C3=O)C[C@@H]21 ZINC001598901840 1017471667 /nfs/dbraw/zinc/47/16/67/1017471667.db2.gz KIJPTWUDDPBBTO-UXCLJVHYSA-N -1 0 324.333 -0.813 20 0 DBADRM COC(=O)[C@@H]1CN(CN2C[C@@H](C(=O)[O-])CC2=O)C[C@@H](C)O1 ZINC001598898883 1017471711 /nfs/dbraw/zinc/47/17/11/1017471711.db2.gz NWIVOUMEUBGTGP-UTLUCORTSA-N -1 0 300.311 -0.861 20 0 DBADRM COC(=O)[C@@H]1CN(CN2CCSC[C@@H]2CC(=O)[O-])C(=O)O1 ZINC001598898928 1017471794 /nfs/dbraw/zinc/47/17/94/1017471794.db2.gz QGFFWUSLMTYCHT-IUCAKERBSA-N -1 0 318.351 -0.170 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598900905 1017471967 /nfs/dbraw/zinc/47/19/67/1017471967.db2.gz ZOKMQXSCVZOOTB-PHDIDXHHSA-N -1 0 303.296 -0.805 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)C2(C(=O)[O-])CCC2)C[C@@H](C)O1 ZINC001598899273 1017471996 /nfs/dbraw/zinc/47/19/96/1017471996.db2.gz KLGRSXCKNPTGGR-BDAKNGLRSA-N -1 0 321.351 -0.414 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)CC(C)(C)C(=O)[O-])C[C@@H](C)O1 ZINC001598899390 1017472011 /nfs/dbraw/zinc/47/20/11/1017472011.db2.gz RLHOQGMSXOUEJI-BDAKNGLRSA-N -1 0 323.367 -0.311 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)N2CC[C@](OC)(C(=O)[O-])C2)C1 ZINC001598906450 1017474655 /nfs/dbraw/zinc/47/46/55/1017474655.db2.gz OEEQXTRZXLZSSG-JRKPZEMJSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)[C@]12CCC[C@H]1N(C(=O)Cn1cc(C(=O)[O-])nn1)CC2 ZINC001598908315 1017474775 /nfs/dbraw/zinc/47/47/75/1017474775.db2.gz PEBKCTXCAJFTOL-YGRLFVJLSA-N -1 0 322.321 -0.080 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNS(=O)(=O)CCCC(=O)[O-])C1(F)F ZINC001598902369 1017475380 /nfs/dbraw/zinc/47/53/80/1017475380.db2.gz UBHPPLSDJOMYDA-XPUUQOCRSA-N -1 0 315.294 -0.175 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CN(C)CC(=O)N2CCCC2)n1 ZINC001598925007 1017476852 /nfs/dbraw/zinc/47/68/52/1017476852.db2.gz OSJUZYWWTYPHFF-UHFFFAOYSA-N -1 0 324.337 -0.120 20 0 DBADRM COC(=O)c1c(OCCO)n[nH]c1NC(=O)[C@@H](C)CC(=O)[O-] ZINC001598917071 1017477094 /nfs/dbraw/zinc/47/70/94/1017477094.db2.gz ZMKOGCWORGAMKF-LURJTMIESA-N -1 0 315.282 -0.383 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])n(C)n1 ZINC001598920099 1017477304 /nfs/dbraw/zinc/47/73/04/1017477304.db2.gz SLKQLWRJTFZFFM-MRVPVSSYSA-N -1 0 321.293 -0.645 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])on1 ZINC001598920765 1017477357 /nfs/dbraw/zinc/47/73/57/1017477357.db2.gz ZMUTUJWQWFBJPJ-QMMMGPOBSA-N -1 0 308.250 -0.459 20 0 DBADRM COC(=O)c1cc(C(=O)OCC(=O)NCCC(=O)[O-])ccn1 ZINC001598926247 1017477727 /nfs/dbraw/zinc/47/77/27/1017477727.db2.gz JHLOQLLFMVUSEH-UHFFFAOYSA-N -1 0 310.262 -0.384 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN(C)Cc1cn(C)nn1 ZINC001598925442 1017478057 /nfs/dbraw/zinc/47/80/57/1017478057.db2.gz SOLFVBLNBOLIRO-UHFFFAOYSA-N -1 0 308.298 -0.414 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])cs1 ZINC001598953075 1017479667 /nfs/dbraw/zinc/47/96/67/1017479667.db2.gz DWHUNZLXQMNQQQ-ZCFIWIBFSA-N -1 0 323.348 -0.351 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])nc1 ZINC001598958170 1017480381 /nfs/dbraw/zinc/48/03/81/1017480381.db2.gz VZUAMOGDHISMHG-QWRGUYRKSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CCO[C@H](CC(=O)[O-])C2)n1 ZINC001598956276 1017480601 /nfs/dbraw/zinc/48/06/01/1017480601.db2.gz FFXQYAKYSJXLQA-SECBINFHSA-N -1 0 311.294 -0.837 20 0 DBADRM COC(=O)c1ccc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1C ZINC001598957643 1017481059 /nfs/dbraw/zinc/48/10/59/1017481059.db2.gz KDQDCRFPCIBCOR-IUCAKERBSA-N -1 0 310.306 -0.281 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)n[nH]1 ZINC001598951228 1017481580 /nfs/dbraw/zinc/48/15/80/1017481580.db2.gz DBGNUGMRKIGGMH-SNVBAGLBSA-N -1 0 321.286 -0.616 20 0 DBADRM COC(=O)c1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])nc1 ZINC001598974989 1017482875 /nfs/dbraw/zinc/48/28/75/1017482875.db2.gz XDKQSTQAPAJNRO-LLVKDONJSA-N -1 0 307.306 -0.357 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN2CC[C@@](O)(C(=O)[O-])C2)n1 ZINC001599000429 1017483008 /nfs/dbraw/zinc/48/30/08/1017483008.db2.gz YJNCRGWCEFJUKO-AWEZNQCLSA-N -1 0 323.305 -0.672 20 0 DBADRM COC(=O)c1ccc(NC(=O)NCC(=O)NCC(=O)[O-])nc1 ZINC001598979985 1017483046 /nfs/dbraw/zinc/48/30/46/1017483046.db2.gz NCESTGKPANZPOE-UHFFFAOYSA-N -1 0 310.266 -0.810 20 0 DBADRM COC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])nc1 ZINC001598967152 1017483486 /nfs/dbraw/zinc/48/34/86/1017483486.db2.gz CLBKINAWHCJSBU-ZETCQYMHSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)c1ccc(C(=O)O[C@H](CC(=O)[O-])C(=O)OC)n1C ZINC001598968793 1017484064 /nfs/dbraw/zinc/48/40/64/1017484064.db2.gz FGOJLYDNHANSHX-SECBINFHSA-N -1 0 313.262 -0.015 20 0 DBADRM COC(=O)c1cccc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])c1 ZINC001598992407 1017484333 /nfs/dbraw/zinc/48/43/33/1017484333.db2.gz SZILQZHEKPBHCM-NSHDSACASA-N -1 0 318.289 -0.052 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCC(F)(F)C(=O)[O-])cn1 ZINC001598988204 1017484664 /nfs/dbraw/zinc/48/46/64/1017484664.db2.gz KVMBPBNOMURWJJ-UHFFFAOYSA-N -1 0 324.261 -0.134 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2CCSC[C@H]2C(=O)[O-])n1 ZINC001599005411 1017486091 /nfs/dbraw/zinc/48/60/91/1017486091.db2.gz YDJUIGAXXATBEA-VIFPVBQESA-N -1 0 313.335 -0.302 20 0 DBADRM COC(=O)c1cn(CC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)nn1 ZINC001599006634 1017486182 /nfs/dbraw/zinc/48/61/82/1017486182.db2.gz TYYKZRILZSIRPM-RKDXNWHRSA-N -1 0 310.310 -0.366 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CC[C@H](OC)C[C@H]2C(=O)[O-])cn1 ZINC001599007524 1017486304 /nfs/dbraw/zinc/48/63/04/1017486304.db2.gz JXZPMFTWAPRWHD-KWQFWETISA-N -1 0 323.305 -0.033 20 0 DBADRM COC(=O)c1cn(CCNC(=O)c2cc(C(=O)[O-])on2)nn1 ZINC001599008517 1017486319 /nfs/dbraw/zinc/48/63/19/1017486319.db2.gz NDHSGKCAMXMHNP-UHFFFAOYSA-N -1 0 309.238 -0.819 20 0 DBADRM COC(=O)c1ccn(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)n1 ZINC001599004484 1017487046 /nfs/dbraw/zinc/48/70/46/1017487046.db2.gz JTYBEJRBIIIQHL-LOKLDPHHSA-N -1 0 307.306 -0.105 20 0 DBADRM COC(=O)c1cnc(COC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cn1 ZINC001599007243 1017487455 /nfs/dbraw/zinc/48/74/55/1017487455.db2.gz JKWXRMDLOQNBQF-VHSXEESVSA-N -1 0 310.262 -0.061 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC001599008568 1017487625 /nfs/dbraw/zinc/48/76/25/1017487625.db2.gz OREHGQLLHGDNBS-MRVPVSSYSA-N -1 0 317.323 -0.176 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2 ZINC001599008515 1017487650 /nfs/dbraw/zinc/48/76/50/1017487650.db2.gz NCMHQHZZSDCHEC-UHFFFAOYSA-N -1 0 315.307 -0.566 20 0 DBADRM COC(=O)c1cncc(C(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC001599009245 1017487727 /nfs/dbraw/zinc/48/77/27/1017487727.db2.gz JIRXKIJVCIHNQL-UHFFFAOYSA-N -1 0 319.277 -0.412 20 0 DBADRM COC(=O)c1cncnc1N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001599011665 1017489320 /nfs/dbraw/zinc/48/93/20/1017489320.db2.gz WAHVACWEAYPCCK-UHFFFAOYSA-N -1 0 304.266 -0.386 20 0 DBADRM COC(=O)c1cnn(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)c1 ZINC001599010782 1017489489 /nfs/dbraw/zinc/48/94/89/1017489489.db2.gz AEMMGAUGHSQGTN-YTWAJWBKSA-N -1 0 307.306 -0.105 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001599018092 1017489532 /nfs/dbraw/zinc/48/95/32/1017489532.db2.gz XEXBHXNTAXJLKD-PHDIDXHHSA-N -1 0 320.348 -0.071 20 0 DBADRM CO[C@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)c1cnn(C)c1 ZINC001599024570 1017489789 /nfs/dbraw/zinc/48/97/89/1017489789.db2.gz MNKAABHHDKIBTQ-NSHDSACASA-N -1 0 320.309 -0.519 20 0 DBADRM CO[C@@H](C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)c1cnn(C)c1 ZINC001599023382 1017489920 /nfs/dbraw/zinc/48/99/20/1017489920.db2.gz GYKFWFODHIBZPL-BXUZGUMPSA-N -1 0 322.321 -0.060 20 0 DBADRM COC(=O)c1nccc(N(CCN2CCOCC2)CC(=O)[O-])n1 ZINC001599016229 1017490720 /nfs/dbraw/zinc/49/07/20/1017490720.db2.gz JWKGHXRPGCQQDR-UHFFFAOYSA-N -1 0 324.337 -0.514 20 0 DBADRM COC(=O)c1cnoc1CN1[C@@H](C(=O)[O-])CCS1(=O)=O ZINC001599013599 1017490873 /nfs/dbraw/zinc/49/08/73/1017490873.db2.gz VFVITWJZHBACOF-SSDOTTSWSA-N -1 0 304.280 -0.550 20 0 DBADRM CO[C@@](C)(CO)CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001599034397 1017491780 /nfs/dbraw/zinc/49/17/80/1017491780.db2.gz FUSBDIKMGLEJIQ-LLVKDONJSA-N -1 0 304.324 -0.545 20 0 DBADRM CO[C@H](C)C(=O)NC[C@@H]1COCCN1c1ccnc(C(=O)[O-])n1 ZINC001599035325 1017491929 /nfs/dbraw/zinc/49/19/29/1017491929.db2.gz AJIVWFZNTIDHGW-NXEZZACHSA-N -1 0 324.337 -0.469 20 0 DBADRM COC(C)(C)[C@H](C)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001599030775 1017491972 /nfs/dbraw/zinc/49/19/72/1017491972.db2.gz BIKPLXCNBODDCW-IUCAKERBSA-N -1 0 302.327 -0.772 20 0 DBADRM CO[C@H](C)C(=O)NC[C@H]1COCCN1c1ccnc(C(=O)[O-])n1 ZINC001599035328 1017492042 /nfs/dbraw/zinc/49/20/42/1017492042.db2.gz AJIVWFZNTIDHGW-ZJUUUORDSA-N -1 0 324.337 -0.469 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@H]1COCCN1c1ccnc(C(=O)[O-])n1 ZINC001599035326 1017492435 /nfs/dbraw/zinc/49/24/35/1017492435.db2.gz AJIVWFZNTIDHGW-UWVGGRQHSA-N -1 0 324.337 -0.469 20 0 DBADRM CO[C@@](C)(CO)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001599035162 1017492924 /nfs/dbraw/zinc/49/29/24/1017492924.db2.gz VEPUAXSDPBLHNB-CYBMUJFWSA-N -1 0 311.294 -0.768 20 0 DBADRM CO[C@H](C)CC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001599038097 1017494456 /nfs/dbraw/zinc/49/44/56/1017494456.db2.gz GBMXBEZTZFUBDX-VGMNWLOBSA-N -1 0 313.310 -0.983 20 0 DBADRM CO[C@@H](C)CCNC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001599039869 1017494812 /nfs/dbraw/zinc/49/48/12/1017494812.db2.gz WWSPJOQCXKBKIQ-QMMMGPOBSA-N -1 0 312.326 -0.244 20 0 DBADRM CO[C@H](C)C(=O)N1CC[C@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001599036489 1017495346 /nfs/dbraw/zinc/49/53/46/1017495346.db2.gz QQZTUNOQPBCZMF-NXEZZACHSA-N -1 0 308.338 -0.108 20 0 DBADRM CO[C@@H](CCNC(=O)N1CC(O)(C(=O)[O-])C1)C(F)(F)F ZINC001599043631 1017495383 /nfs/dbraw/zinc/49/53/83/1017495383.db2.gz NDCWDHCLIYCYHQ-LURJTMIESA-N -1 0 300.233 -0.205 20 0 DBADRM CO[C@H](CS(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)C(C)C ZINC001599056003 1017498834 /nfs/dbraw/zinc/49/88/34/1017498834.db2.gz ATUXPCRDVZCTEM-GARJFASQSA-N -1 0 309.384 -0.245 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)c1c[nH]c(=O)n1C)OC ZINC001599045255 1017496067 /nfs/dbraw/zinc/49/60/67/1017496067.db2.gz GNDTYSWTLGCGOB-UHFFFAOYSA-N -1 0 301.299 -0.339 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@H](CO)Nc1ncc(C(=O)[O-])cn1 ZINC001599038664 1017496299 /nfs/dbraw/zinc/49/62/99/1017496299.db2.gz RVFXLZRMCJXTPI-PSASIEDQSA-N -1 0 312.326 -0.511 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001599055417 1017497040 /nfs/dbraw/zinc/49/70/40/1017497040.db2.gz FWDACEXEOXCNAO-UKKRHICBSA-N -1 0 307.368 -0.180 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)C(F)(F)F ZINC001599048813 1017497305 /nfs/dbraw/zinc/49/73/05/1017497305.db2.gz CFXRKOAYVXTYSK-SFYZADRCSA-N -1 0 324.255 -0.031 20 0 DBADRM CO[C@@H](CN1C(=O)N[C@H](CCC(=O)[O-])C1=O)[C@@H]1CCOC1 ZINC001599048557 1017497474 /nfs/dbraw/zinc/49/74/74/1017497474.db2.gz UYFVGZDKSLGKJO-BBBLOLIVSA-N -1 0 300.311 -0.177 20 0 DBADRM CO[C@H](CNC(=O)N1CC[C@@](OC)(C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001599051336 1017498531 /nfs/dbraw/zinc/49/85/31/1017498531.db2.gz FXWQLKWXOFWRMT-GYSYKLTISA-N -1 0 316.354 -0.077 20 0 DBADRM CO[C@]1(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001599062490 1017500568 /nfs/dbraw/zinc/50/05/68/1017500568.db2.gz PUENWVGROSVZDH-WDEREUQCSA-N -1 0 309.315 -0.785 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1)C(F)(F)F ZINC001599048811 1017498596 /nfs/dbraw/zinc/49/85/96/1017498596.db2.gz CFXRKOAYVXTYSK-JGVFFNPUSA-N -1 0 324.255 -0.031 20 0 DBADRM CO[C@H](CS(=O)(=O)NC1(C(=O)[O-])CC(CO)C1)C(C)C ZINC001599055067 1017498605 /nfs/dbraw/zinc/49/86/05/1017498605.db2.gz AYFPIUHGKSGMPN-SQLBVSGCSA-N -1 0 309.384 -0.198 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)C(C)C ZINC001599049664 1017498617 /nfs/dbraw/zinc/49/86/17/1017498617.db2.gz BHQUQGFXXMHYEB-GARJFASQSA-N -1 0 316.354 -0.932 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)[C@@H]1CCOC1 ZINC001599053712 1017498637 /nfs/dbraw/zinc/49/86/37/1017498637.db2.gz DDHXRRNWKPQKHX-APPZFPTMSA-N -1 0 319.339 -0.562 20 0 DBADRM COC(OC)[C@H](C)NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599062942 1017501221 /nfs/dbraw/zinc/50/12/21/1017501221.db2.gz ZRGAMNMEGSHAEY-WPRPVWTQSA-N -1 0 304.343 -0.139 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CC2CC1(C(=O)[O-])C2)[C@@H]1CCOC1 ZINC001599057068 1017501394 /nfs/dbraw/zinc/50/13/94/1017501394.db2.gz FQGJFWDZVAGMRK-QRVCZOOMSA-N -1 0 319.379 -0.083 20 0 DBADRM CO[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@](OC)(C(=O)[O-])C2)C1 ZINC001599066441 1017502476 /nfs/dbraw/zinc/50/24/76/1017502476.db2.gz DXYAFURKMDESPM-ISTVAULSSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001599065431 1017502737 /nfs/dbraw/zinc/50/27/37/1017502737.db2.gz GRYPDBPXYFWQIS-ISTVAULSSA-N -1 0 314.338 -0.676 20 0 DBADRM CO[C@@]1(C(=O)NCCC(=O)NCCC(=O)[O-])CCSC1 ZINC001599065271 1017503119 /nfs/dbraw/zinc/50/31/19/1017503119.db2.gz WAPSZWIQHFHQCB-LBPRGKRZSA-N -1 0 304.368 -0.394 20 0 DBADRM CO[C@]1(C(=O)NCCC(C)(C)C(=O)[O-])CCS(=O)(=O)C1 ZINC001599064897 1017503154 /nfs/dbraw/zinc/50/31/54/1017503154.db2.gz MRJUMMHRCGMLGC-GFCCVEGCSA-N -1 0 307.368 -0.193 20 0 DBADRM CO[C@@]1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)CCS(=O)(=O)C1 ZINC001599063341 1017503722 /nfs/dbraw/zinc/50/37/22/1017503722.db2.gz JDTFSSYULATGRY-DUYQIWHPSA-N -1 0 317.363 -0.585 20 0 DBADRM COC1(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)CS(=O)(=O)C1 ZINC001599064980 1017503543 /nfs/dbraw/zinc/50/35/43/1017503543.db2.gz QHECHHWEEHEMJD-MRVPVSSYSA-N -1 0 307.368 -0.194 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](C)CC2)C1 ZINC001599065518 1017503662 /nfs/dbraw/zinc/50/36/62/1017503662.db2.gz HHJJSJGSHAXPBG-HZMBPMFUSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)/C=C2/SCC(=O)N2C)C1 ZINC001599067787 1017504644 /nfs/dbraw/zinc/50/46/44/1017504644.db2.gz GKFIJYGTIUFHMH-SBKJXLNCSA-N -1 0 300.336 -0.265 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]3C2)C1 ZINC001599068387 1017505208 /nfs/dbraw/zinc/50/52/08/1017505208.db2.gz XSBLSAOULRZENM-RWSFTLGLSA-N -1 0 310.350 -0.053 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CCn2c(C)cc(O)cc2=O)C1 ZINC001599068165 1017505314 /nfs/dbraw/zinc/50/53/14/1017505314.db2.gz KXZVNWSKSBZIQM-OAHLLOKOSA-N -1 0 324.333 -0.045 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(F)cn2)C1 ZINC001599068669 1017505615 /nfs/dbraw/zinc/50/56/15/1017505615.db2.gz LDCNXRBHVMSIFK-ZDUSSCGKSA-N -1 0 311.269 -0.139 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001599068224 1017505655 /nfs/dbraw/zinc/50/56/55/1017505655.db2.gz MDCLQWYETMSDJI-ZDUSSCGKSA-N -1 0 313.310 -0.981 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)Cc2ccon2)C1 ZINC001599067999 1017506109 /nfs/dbraw/zinc/50/61/09/1017506109.db2.gz KDAKZCUJCCVMSZ-CYBMUJFWSA-N -1 0 311.294 -0.665 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC001599071692 1017507307 /nfs/dbraw/zinc/50/73/07/1017507307.db2.gz GFDNHJCDIVLIFI-BXKDBHETSA-N -1 0 320.367 -0.551 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001599073836 1017507379 /nfs/dbraw/zinc/50/73/79/1017507379.db2.gz SPIQDOJJXLFSAD-OAHLLOKOSA-N -1 0 318.285 -0.114 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCN(C(C)C)C2=O)C1 ZINC001599072486 1017507820 /nfs/dbraw/zinc/50/78/20/1017507820.db2.gz NRBBJLHDWDRSBJ-YGRLFVJLSA-N -1 0 313.354 -0.119 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2C[C@@H]2CCCOC2)C1 ZINC001599081664 1017508921 /nfs/dbraw/zinc/50/89/21/1017508921.db2.gz SRXDUGQGYIEIAF-GXFFZTMASA-N -1 0 311.342 -0.220 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnnn2C[C@]2(C)CCOC2)C1 ZINC001599080488 1017510100 /nfs/dbraw/zinc/51/01/00/1017510100.db2.gz KZSHKROKZROEOE-STQMWFEESA-N -1 0 311.342 -0.220 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2CCCOC(F)F)C1 ZINC001599081691 1017511195 /nfs/dbraw/zinc/51/11/95/1017511195.db2.gz UGYIQGBZLXREKE-LLVKDONJSA-N -1 0 321.284 -0.018 20 0 DBADRM COC1(C)CN(C(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)C1 ZINC001599085797 1017512660 /nfs/dbraw/zinc/51/26/60/1017512660.db2.gz OFZDQRUKFIOJBB-UHFFFAOYSA-N -1 0 310.310 -0.538 20 0 DBADRM CO[C@]1(CN2C(=O)[C@@H]3CC[C@@H](C(=O)[O-])CN3C2=O)CCOC1 ZINC001599090008 1017512727 /nfs/dbraw/zinc/51/27/27/1017512727.db2.gz XWVRVWKMERTGQO-BFVZDQMLSA-N -1 0 312.322 -0.081 20 0 DBADRM CO[C@]1(CNS(=O)(=O)c2cncc(C(=O)[O-])c2)CCOC1 ZINC001599090773 1017513012 /nfs/dbraw/zinc/51/30/12/1017513012.db2.gz NOACZRDJJBMCMJ-LBPRGKRZSA-N -1 0 316.335 -0.136 20 0 DBADRM COC1CC(C(=O)NC[C@H](O)CNc2ncc(C(=O)[O-])cn2)C1 ZINC001599093424 1017513531 /nfs/dbraw/zinc/51/35/31/1017513531.db2.gz BSRDMUSTMHEGIR-JZQLECPJSA-N -1 0 324.337 -0.511 20 0 DBADRM CO[C@]1(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CCSC1 ZINC001599090813 1017513642 /nfs/dbraw/zinc/51/36/42/1017513642.db2.gz PLUBEOLNWQZYHM-JTQLQIEISA-N -1 0 321.380 -0.092 20 0 DBADRM COC1(C[C@H]2NC(=O)N(CCOCC(=O)[O-])C2=O)CCC1 ZINC001599088315 1017513855 /nfs/dbraw/zinc/51/38/55/1017513855.db2.gz LBNZKYVROSLUMV-SECBINFHSA-N -1 0 300.311 -0.033 20 0 DBADRM CO[C@@]1(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CCOC1 ZINC001599088617 1017513963 /nfs/dbraw/zinc/51/39/63/1017513963.db2.gz DXBDQRIFMVLCHF-QMTHXVAHSA-N -1 0 314.338 -0.769 20 0 DBADRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)CSCC(N)=O)C(=O)[O-])C1 ZINC001599105777 1017515096 /nfs/dbraw/zinc/51/50/96/1017515096.db2.gz HBGJGJCNAHFLDU-LNLATYFQSA-N -1 0 318.395 -0.021 20 0 DBADRM COC1(OC)CCN(C(=O)c2cc(C(=O)[O-])nn2C)C[C@@H]1O ZINC001599096161 1017515260 /nfs/dbraw/zinc/51/52/60/1017515260.db2.gz XAGZEPSXPNLRNF-JTQLQIEISA-N -1 0 313.310 -0.686 20 0 DBADRM CO[C@@H]1CC[C@@H]2OCCN(C(=O)Cn3cc(C(=O)[O-])nn3)[C@@H]2C1 ZINC001599103120 1017515403 /nfs/dbraw/zinc/51/54/03/1017515403.db2.gz LBEOFPFJMRGONP-JLLWLGSASA-N -1 0 324.337 -0.229 20 0 DBADRM COC1(OC)CCOC[C@@H]1NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001599096370 1017516322 /nfs/dbraw/zinc/51/63/22/1017516322.db2.gz YJSDSTOSFMMEJO-JTQLQIEISA-N -1 0 313.310 -0.525 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)CS(C)(=O)=O)C(=O)[O-])C1 ZINC001599106142 1017516396 /nfs/dbraw/zinc/51/63/96/1017516396.db2.gz KMASLYPXCQNIQG-NGZCFLSTSA-N -1 0 307.368 -0.194 20 0 DBADRM COC1CCN(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)CC1 ZINC001599122592 1017517830 /nfs/dbraw/zinc/51/78/30/1017517830.db2.gz DMRFXQRUXGQQPR-LBPRGKRZSA-N -1 0 322.383 -0.435 20 0 DBADRM CO[C@H]1CCN(C(=O)CC2C(=O)N=CNC2=O)[C@H](C(=O)[O-])C1 ZINC001599118309 1017518263 /nfs/dbraw/zinc/51/82/63/1017518263.db2.gz BVCWJASRLUSTAT-CBAPKCEASA-N -1 0 311.294 -0.479 20 0 DBADRM CO[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)[C@H](C(=O)[O-])C1 ZINC001599117536 1017518328 /nfs/dbraw/zinc/51/83/28/1017518328.db2.gz IQJLNAZBVVFCCB-QEYWKRMJSA-N -1 0 300.311 -0.890 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@@H]2CSCC(=O)N2)[C@@H](C(=O)[O-])C1 ZINC001599117864 1017518654 /nfs/dbraw/zinc/51/86/54/1017518654.db2.gz PKVCDTLVDJSTSP-HRDYMLBCSA-N -1 0 302.352 -0.691 20 0 DBADRM CO[C@@H]1CCN(CC(=O)N2CCO[C@@H](C)C2)[C@H](C(=O)[O-])C1 ZINC001599121560 1017518920 /nfs/dbraw/zinc/51/89/20/1017518920.db2.gz BZNUNMJJVQCYDR-TUAOUCFPSA-N -1 0 300.355 -0.202 20 0 DBADRM CO[C@H]1CN(C(=O)c2nc3n(n2)CCCN3)[C@](C)(C(=O)[O-])C1 ZINC001599132100 1017520974 /nfs/dbraw/zinc/52/09/74/1017520974.db2.gz QFSZRMSFOLUBHR-OQPBUACISA-N -1 0 309.326 -0.945 20 0 DBADRM CO[C@H]1CN(C(=O)C2=C3CCCN=C3NN2)[C@@](C)(C(=O)[O-])C1 ZINC001599131881 1017521336 /nfs/dbraw/zinc/52/13/36/1017521336.db2.gz DLMVOHFHUUVRJS-XLKFXECMSA-N -1 0 308.338 -0.369 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H]2CCN=C3C2=NNN3C)[C@](C)(C(=O)[O-])C1 ZINC001599132441 1017521656 /nfs/dbraw/zinc/52/16/56/1017521656.db2.gz XVPSDBKNASMXDM-FZNYLWTLSA-N -1 0 323.353 -0.699 20 0 DBADRM CO[C@@H]1CN(Cc2nnc3c(=O)n(C)ccn23)[C@](C)(C(=O)[O-])C1 ZINC001599130859 1017521709 /nfs/dbraw/zinc/52/17/09/1017521709.db2.gz AIFCNOKTGJNASQ-XPTSAGLGSA-N -1 0 321.337 -0.508 20 0 DBADRM CO[C@H]1CCN(S(=O)(=O)c2cnnn2C)[C@@H](C(=O)[O-])C1 ZINC001599126621 1017521963 /nfs/dbraw/zinc/52/19/63/1017521963.db2.gz LFIFTBPQHSJEIS-JGVFFNPUSA-N -1 0 304.328 -0.932 20 0 DBADRM CO[C@H]1CN(C(=O)c2nc3n(n2)CCCN3)[C@@](C)(C(=O)[O-])C1 ZINC001599132098 1017521970 /nfs/dbraw/zinc/52/19/70/1017521970.db2.gz QFSZRMSFOLUBHR-AMIZOPFISA-N -1 0 309.326 -0.945 20 0 DBADRM CO[C@H]1CN(C(=O)Cc2nc3ncccn3n2)[C@](C)(C(=O)[O-])C1 ZINC001599136068 1017522897 /nfs/dbraw/zinc/52/28/97/1017522897.db2.gz YVLCKHCKQHPRHN-OTYXRUKQSA-N -1 0 319.321 -0.243 20 0 DBADRM CO[C@H]1COCC[C@@H]1CNC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001599137124 1017523017 /nfs/dbraw/zinc/52/30/17/1017523017.db2.gz CCLHDLPUPKEYLV-KKOKHZNYSA-N -1 0 316.354 -0.079 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001599137315 1017523576 /nfs/dbraw/zinc/52/35/76/1017523576.db2.gz ADTIKAVEITXHQG-DTWKUNHWSA-N -1 0 319.339 -0.468 20 0 DBADRM CO[C@H]1CN(CC2(O)CCS(=O)(=O)CC2)[C@@](C)(C(=O)[O-])C1 ZINC001599134432 1017523594 /nfs/dbraw/zinc/52/35/94/1017523594.db2.gz YRJULVLJDRBCIO-ZYHUDNBSSA-N -1 0 321.395 -0.510 20 0 DBADRM CO[C@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)[C@](C)(C(=O)[O-])C1 ZINC001599135629 1017524650 /nfs/dbraw/zinc/52/46/50/1017524650.db2.gz VQDXGWLMPQWCIL-ABAIWWIYSA-N -1 0 323.349 -0.049 20 0 DBADRM COCC(=O)N1CCCC2(CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)C1 ZINC001599139595 1017525418 /nfs/dbraw/zinc/52/54/18/1017525418.db2.gz MXOGWWVVDDVOKN-QWRGUYRKSA-N -1 0 310.350 -0.196 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001599140466 1017526208 /nfs/dbraw/zinc/52/62/08/1017526208.db2.gz SHFDWUNIHUUBDW-NOOOWODRSA-N -1 0 301.339 -0.278 20 0 DBADRM COCC(=O)N1C[C@H](C)[C@@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001599139271 1017526388 /nfs/dbraw/zinc/52/63/88/1017526388.db2.gz JIJKTCZFDWHNLJ-UWVGGRQHSA-N -1 0 308.338 -0.251 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001599140632 1017527531 /nfs/dbraw/zinc/52/75/31/1017527531.db2.gz PWJQBAYZHWWYJM-LMLFDSFASA-N -1 0 307.368 -0.085 20 0 DBADRM COCC(=O)NC1CCN([C@@H](CCC(=O)[O-])C(=O)OC)CC1 ZINC001599142556 1017528230 /nfs/dbraw/zinc/52/82/30/1017528230.db2.gz GJZSTXGMFXUZGF-NSHDSACASA-N -1 0 316.354 -0.380 20 0 DBADRM CO[C@H]1COCC[C@H]1CNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001599141617 1017528322 /nfs/dbraw/zinc/52/83/22/1017528322.db2.gz XOSNSADQZYNDDN-UWVGGRQHSA-N -1 0 307.368 -0.035 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001599160685 1017534371 /nfs/dbraw/zinc/53/43/71/1017534371.db2.gz UDPIAQSCOFXJNH-CIUDSAMLSA-N -1 0 309.340 -0.843 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(C(=O)[O-])oc1C ZINC001599142135 1017528888 /nfs/dbraw/zinc/52/88/88/1017528888.db2.gz YMTMZUGJEMYFAO-PSASIEDQSA-N -1 0 317.319 -0.172 20 0 DBADRM COCC(=O)N(C)CC(=O)N(C)[C@H](COC(C)C)C(=O)[O-] ZINC001599140848 1017529016 /nfs/dbraw/zinc/52/90/16/1017529016.db2.gz FZBBHVRZLPCCKS-SNVBAGLBSA-N -1 0 304.343 -0.572 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CCN=C2C1=NNN2C ZINC001599146851 1017530773 /nfs/dbraw/zinc/53/07/73/1017530773.db2.gz YOQJXGOWYBIEIB-OQPBUACISA-N -1 0 311.342 -0.793 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001599146399 1017530807 /nfs/dbraw/zinc/53/08/07/1017530807.db2.gz UVFALNFAMKBZOT-RNCFNFMXSA-N -1 0 311.342 -0.378 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001599146883 1017531249 /nfs/dbraw/zinc/53/12/49/1017531249.db2.gz ZUIVUJPFDCIYLW-MFKMUULPSA-N -1 0 302.327 -0.770 20 0 DBADRM COC[C@](C)(NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001599151890 1017532010 /nfs/dbraw/zinc/53/20/10/1017532010.db2.gz UNTZNHSZTHELRV-OTYXRUKQSA-N -1 0 324.337 -0.621 20 0 DBADRM COC[C@](C)(NC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1)C(=O)[O-] ZINC001599151364 1017532441 /nfs/dbraw/zinc/53/24/41/1017532441.db2.gz MTIWYVSINMJKHG-FZMZJTMJSA-N -1 0 324.337 -0.173 20 0 DBADRM COC[C@](C)(NC(=O)COCC(=O)OC(C)(C)C)C(=O)[O-] ZINC001599153296 1017532684 /nfs/dbraw/zinc/53/26/84/1017532684.db2.gz NEZXJFJFSAXNFT-ZDUSSCGKSA-N -1 0 305.327 -0.049 20 0 DBADRM COC[C@@](C)(NC(=O)NCC(=O)NCC(=O)[O-])C(F)(F)F ZINC001599152555 1017532924 /nfs/dbraw/zinc/53/29/24/1017532924.db2.gz QCTOTFJFEZQBKY-SECBINFHSA-N -1 0 315.248 -0.546 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001599156127 1017533303 /nfs/dbraw/zinc/53/33/03/1017533303.db2.gz YKHOEHKEZVGWNC-LLVKDONJSA-N -1 0 304.324 -0.545 20 0 DBADRM COC[C@@](C)(NC(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001599152085 1017533347 /nfs/dbraw/zinc/53/33/47/1017533347.db2.gz WWLASMPGDVVEMV-BXKDBHETSA-N -1 0 307.368 -0.193 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001599160688 1017534144 /nfs/dbraw/zinc/53/41/44/1017534144.db2.gz UDPIAQSCOFXJNH-YIZRAAEISA-N -1 0 309.340 -0.843 20 0 DBADRM COC[C@@](C)(O)C(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001599157012 1017534732 /nfs/dbraw/zinc/53/47/32/1017534732.db2.gz UMBQRXQHARUAOC-CYBMUJFWSA-N -1 0 315.366 -0.008 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599156393 1017535150 /nfs/dbraw/zinc/53/51/50/1017535150.db2.gz BCGSTUGQBCDZMO-MWLCHTKSSA-N -1 0 316.354 -0.931 20 0 DBADRM COC[C@](C)(O)CCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001599156730 1017535170 /nfs/dbraw/zinc/53/51/70/1017535170.db2.gz PBKLTLQINNROIV-LLVKDONJSA-N -1 0 306.340 -0.221 20 0 DBADRM COC[C@@H](CCNC(=O)N1CC[C@@](OC)(C(=O)[O-])C1)OC ZINC001599163117 1017536621 /nfs/dbraw/zinc/53/66/21/1017536621.db2.gz YIMAOIYUOXWECE-MFKMUULPSA-N -1 0 304.343 -0.077 20 0 DBADRM COC[C@@H](CO)NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001599163962 1017537577 /nfs/dbraw/zinc/53/75/77/1017537577.db2.gz BLYNGVOJJCNJHW-MRVPVSSYSA-N -1 0 300.315 -0.168 20 0 DBADRM COC[C@@H](CNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)OC ZINC001599163192 1017538021 /nfs/dbraw/zinc/53/80/21/1017538021.db2.gz AWGBHWLKLHWFAM-RNCFNFMXSA-N -1 0 315.326 -0.337 20 0 DBADRM COC[C@@H](CCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)OC ZINC001599162811 1017538032 /nfs/dbraw/zinc/53/80/32/1017538032.db2.gz KXGRTBIVSUWJLH-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@@H](CS(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-])OC ZINC001599166852 1017539274 /nfs/dbraw/zinc/53/92/74/1017539274.db2.gz QCTLBRCLEIRZDU-UWVGGRQHSA-N -1 0 311.356 -0.847 20 0 DBADRM COC[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC001599168451 1017539557 /nfs/dbraw/zinc/53/95/57/1017539557.db2.gz BUMYYUQGZULNSO-SNVBAGLBSA-N -1 0 316.260 -0.090 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1)C(=O)[O-] ZINC001599167567 1017540021 /nfs/dbraw/zinc/54/00/21/1017540021.db2.gz SYCWLHRSUWVPPV-GHMZBOCLSA-N -1 0 310.310 -0.563 20 0 DBADRM COC[C@H](NC(=O)c1nnn(Cc2ccncc2)c1C)C(=O)[O-] ZINC001599174835 1017541069 /nfs/dbraw/zinc/54/10/69/1017541069.db2.gz DDLAEMMFPNCQPK-NSHDSACASA-N -1 0 319.321 -0.141 20 0 DBADRM COC[C@H](NC(=O)c1cccnc1N1CCOCC1)C(=O)[O-] ZINC001599175004 1017541201 /nfs/dbraw/zinc/54/12/01/1017541201.db2.gz NWEXEKQCGVOYAN-NSHDSACASA-N -1 0 309.322 -0.252 20 0 DBADRM COC[C@H](N[C@@H](C(=O)[O-])c1cccc(C(=O)OC)c1)C(N)=O ZINC001599173893 1017541860 /nfs/dbraw/zinc/54/18/60/1017541860.db2.gz SWXGZGWTDPHOLI-WDEREUQCSA-N -1 0 310.306 -0.311 20 0 DBADRM COC[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)C(=O)[O-] ZINC001599170240 1017541948 /nfs/dbraw/zinc/54/19/48/1017541948.db2.gz PWRZITLQXSUKHY-SNVBAGLBSA-N -1 0 305.290 -0.388 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)NC(C)C)C(=O)[O-] ZINC001599170902 1017542050 /nfs/dbraw/zinc/54/20/50/1017542050.db2.gz DMUZAEMCCSJUGT-ZJUUUORDSA-N -1 0 301.343 -0.215 20 0 DBADRM COC[C@@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)C(N)=O ZINC001599170871 1017542581 /nfs/dbraw/zinc/54/25/81/1017542581.db2.gz CVKPQDZQWYCYEJ-SSDOTTSWSA-N -1 0 316.339 -0.218 20 0 DBADRM COC[C@H](NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C(C)C ZINC001599169647 1017542589 /nfs/dbraw/zinc/54/25/89/1017542589.db2.gz MJVTULHFSFHBFC-VWYCJHECSA-N -1 0 316.354 -0.526 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@H]1CCCO1 ZINC001599178024 1017543674 /nfs/dbraw/zinc/54/36/74/1017543674.db2.gz UZMIKRHUPNRBLN-RKDXNWHRSA-N -1 0 319.339 -0.420 20 0 DBADRM COC[C@H](NC(=O)c1ccccc1OCC(=O)N(C)C)C(=O)[O-] ZINC001599175739 1017544074 /nfs/dbraw/zinc/54/40/74/1017544074.db2.gz VJBWZLQSGIIOTG-NSHDSACASA-N -1 0 324.333 -0.017 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)C(N)=O ZINC001599177292 1017544403 /nfs/dbraw/zinc/54/44/03/1017544403.db2.gz JHMNDIHRYPJKMN-VIFPVBQESA-N -1 0 316.335 -0.528 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccn1)C(=O)OC ZINC001599176790 1017544652 /nfs/dbraw/zinc/54/46/52/1017544652.db2.gz CUWDAWJKSOJMKF-MRVPVSSYSA-N -1 0 318.307 -0.754 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cncc(C(=O)OC)c1)C(=O)[O-] ZINC001599177891 1017544796 /nfs/dbraw/zinc/54/47/96/1017544796.db2.gz IGXCUKNSDHGUFR-SECBINFHSA-N -1 0 318.307 -0.754 20 0 DBADRM COC[C@@H](O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001599178355 1017545112 /nfs/dbraw/zinc/54/51/12/1017545112.db2.gz PEISLUFDVVOIEM-QMMMGPOBSA-N -1 0 316.335 -0.102 20 0 DBADRM COCC1(C(=O)N2CCC(O)(C(=O)[O-])CC2)CCOCC1 ZINC001599183366 1017546128 /nfs/dbraw/zinc/54/61/28/1017546128.db2.gz FGVBQFNFKXFPBZ-UHFFFAOYSA-N -1 0 301.339 -0.132 20 0 DBADRM COC[C@H](OC)C(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001599182085 1017546426 /nfs/dbraw/zinc/54/64/26/1017546426.db2.gz LPIIZKDUORBCIN-VIFPVBQESA-N -1 0 324.337 -0.681 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001599187579 1017546478 /nfs/dbraw/zinc/54/64/78/1017546478.db2.gz ROANHWCKGQULET-PSASIEDQSA-N -1 0 312.326 -0.247 20 0 DBADRM COC[C@@H](OC)C(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001599187069 1017547518 /nfs/dbraw/zinc/54/75/18/1017547518.db2.gz NHAFSMKDJGQIJI-GXSJLCMTSA-N -1 0 317.338 -0.097 20 0 DBADRM COCC1(C(=O)NCCC(=O)NCCC(=O)[O-])CCOCC1 ZINC001599185279 1017547586 /nfs/dbraw/zinc/54/75/86/1017547586.db2.gz XGFXURMOJVNVEB-UHFFFAOYSA-N -1 0 316.354 -0.473 20 0 DBADRM COC[C@H](OC)C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001599187236 1017547684 /nfs/dbraw/zinc/54/76/84/1017547684.db2.gz PBRPPABCRHECLF-JTQLQIEISA-N -1 0 303.311 -0.486 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H](C)CS(C)(=O)=O ZINC001599189617 1017548474 /nfs/dbraw/zinc/54/84/74/1017548474.db2.gz HBFHLSWUALNYTL-BXKDBHETSA-N -1 0 307.368 -0.241 20 0 DBADRM COC[C@@H](OC)C(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001599188250 1017548550 /nfs/dbraw/zinc/54/85/50/1017548550.db2.gz YKOJYJMMXKWWLN-NXEZZACHSA-N -1 0 303.311 -0.343 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H](C)CS(C)(=O)=O ZINC001599189619 1017548587 /nfs/dbraw/zinc/54/85/87/1017548587.db2.gz HBFHLSWUALNYTL-JOYOIKCWSA-N -1 0 307.368 -0.241 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CN1CCC(=O)NC1=O ZINC001599190038 1017548730 /nfs/dbraw/zinc/54/87/30/1017548730.db2.gz KDLCCRXGLRRKCC-ZDUSSCGKSA-N -1 0 313.310 -0.980 20 0 DBADRM COC[C@]1(C)CN(C(=O)C(=O)NCCCCC(=O)[O-])CCO1 ZINC001599196387 1017550039 /nfs/dbraw/zinc/55/00/39/1017550039.db2.gz OAOWTEFCQDCILF-AWEZNQCLSA-N -1 0 316.354 -0.379 20 0 DBADRM COCC1(O)CN(C(=O)Nc2nc3n(c2C(=O)[O-])CCC3)C1 ZINC001599201149 1017550190 /nfs/dbraw/zinc/55/01/90/1017550190.db2.gz BZWCFZOYGJYPJR-UHFFFAOYSA-N -1 0 310.310 -0.248 20 0 DBADRM COC[C@]1(C(=O)OC)CCCCN1C(=O)COCC(=O)[O-] ZINC001599195844 1017551062 /nfs/dbraw/zinc/55/10/62/1017551062.db2.gz UIGSMIVTZYLCLP-ZDUSSCGKSA-N -1 0 303.311 -0.342 20 0 DBADRM COC[C@@]1(C)CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001599195563 1017551249 /nfs/dbraw/zinc/55/12/49/1017551249.db2.gz SQCPWGBTFCGIKS-JFGNBEQYSA-N -1 0 307.368 -0.083 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)NCCCCC(=O)[O-])C[C@@H](C)O1 ZINC001599206366 1017552593 /nfs/dbraw/zinc/55/25/93/1017552593.db2.gz IPTVHJCVHFZNIJ-GHMZBOCLSA-N -1 0 316.354 -0.380 20 0 DBADRM COC[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001599203871 1017552785 /nfs/dbraw/zinc/55/27/85/1017552785.db2.gz OKFYOYDOBZBXQS-JTQLQIEISA-N -1 0 324.337 -0.148 20 0 DBADRM COC[C@@H]1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001599205833 1017553124 /nfs/dbraw/zinc/55/31/24/1017553124.db2.gz URBMZRWFQPMTTJ-MRVPVSSYSA-N -1 0 310.310 -0.448 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C[C@H](C)O1 ZINC001599204767 1017553357 /nfs/dbraw/zinc/55/33/57/1017553357.db2.gz CLSHQAVNKATPJO-YUMQZZPRSA-N -1 0 319.339 -0.468 20 0 DBADRM COCCC(=O)COC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001599208238 1017553372 /nfs/dbraw/zinc/55/33/72/1017553372.db2.gz LZXRWUCGYSPNPG-JTQLQIEISA-N -1 0 301.295 -0.542 20 0 DBADRM COCCC(=O)NC[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001599206883 1017553460 /nfs/dbraw/zinc/55/34/60/1017553460.db2.gz CPXIKVPMWKBJQW-MGCOHNPYSA-N -1 0 308.338 -0.060 20 0 DBADRM COC[C@@H]1CN([C@@H]2CCN(CCC(=O)[O-])C2=O)C[C@H](C)O1 ZINC001599206077 1017553711 /nfs/dbraw/zinc/55/37/11/1017553711.db2.gz ZCWOZTNYTHBXRA-SDDRHHMPSA-N -1 0 300.355 -0.202 20 0 DBADRM COC[C@@H]1COCCN1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599207025 1017554021 /nfs/dbraw/zinc/55/40/21/1017554021.db2.gz GVRVTQVTLIXMQF-GMTAPVOTSA-N -1 0 302.327 -0.467 20 0 DBADRM COC[C@@H]1CN([C@@H]2CCCN(CCC(=O)[O-])C2=O)CCO1 ZINC001599206031 1017554178 /nfs/dbraw/zinc/55/41/78/1017554178.db2.gz XMOIYCGUVHEWIK-NWDGAFQWSA-N -1 0 300.355 -0.201 20 0 DBADRM COCC[C@H](C)NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599210328 1017554920 /nfs/dbraw/zinc/55/49/20/1017554920.db2.gz IREXPAMOTWWCMC-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM COCC[C@H](C)NC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001599210119 1017555016 /nfs/dbraw/zinc/55/50/16/1017555016.db2.gz BQXMWRMAEFUWSC-GUBZILKMSA-N -1 0 302.327 -0.073 20 0 DBADRM COC[C@@H]1CNCCN1S(=O)(=O)c1occc1C(=O)[O-] ZINC001599208594 1017555230 /nfs/dbraw/zinc/55/52/30/1017555230.db2.gz WHOQOZGIRJQHBP-QMMMGPOBSA-N -1 0 304.324 -0.413 20 0 DBADRM COCC[C@H](C)NC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599210313 1017555319 /nfs/dbraw/zinc/55/53/19/1017555319.db2.gz IEGULZHIYOQLTC-GXSJLCMTSA-N -1 0 316.354 -0.788 20 0 DBADRM COCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001599213009 1017555340 /nfs/dbraw/zinc/55/53/40/1017555340.db2.gz XAIMKVRZPFKTFY-LBPRGKRZSA-N -1 0 324.333 -0.234 20 0 DBADRM COCC[C@@H](CO)NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599212709 1017556137 /nfs/dbraw/zinc/55/61/37/1017556137.db2.gz YJHNEYDOYIVDPH-QMMMGPOBSA-N -1 0 307.324 -0.038 20 0 DBADRM COCC[C@H](NC(=O)[C@H](C)Sc1nncn1C)C(=O)[O-] ZINC001599212815 1017556162 /nfs/dbraw/zinc/55/61/62/1017556162.db2.gz IRLZLZVHDRAGCN-YUMQZZPRSA-N -1 0 302.356 -0.098 20 0 DBADRM COCC[C@H](NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1)C(=O)[O-] ZINC001599214240 1017556203 /nfs/dbraw/zinc/55/62/03/1017556203.db2.gz BXKVAUVDNRNTSI-GXSJLCMTSA-N -1 0 310.310 -0.481 20 0 DBADRM COCC[C@@H](NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C(=O)[O-] ZINC001599214721 1017556271 /nfs/dbraw/zinc/55/62/71/1017556271.db2.gz MVNQGAXUHHOKMJ-ZDLIJIFBSA-N -1 0 313.306 -0.687 20 0 DBADRM COCC[C@@H](NC(=O)C[C@]1(C)CCS(=O)(=O)N1)C(=O)[O-] ZINC001599215289 1017557306 /nfs/dbraw/zinc/55/73/06/1017557306.db2.gz JJUARHPLFSZMKT-KCJUWKMLSA-N -1 0 308.356 -0.936 20 0 DBADRM COCC[C@H](NC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C(=O)[O-] ZINC001599215288 1017558125 /nfs/dbraw/zinc/55/81/25/1017558125.db2.gz JJUARHPLFSZMKT-GZMMTYOYSA-N -1 0 308.356 -0.936 20 0 DBADRM COCC[C@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC001599218601 1017558474 /nfs/dbraw/zinc/55/84/74/1017558474.db2.gz JOOHUDRNEOAROW-JTQLQIEISA-N -1 0 310.372 -0.579 20 0 DBADRM COCC[C@H](NC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)[O-] ZINC001599217912 1017558659 /nfs/dbraw/zinc/55/86/59/1017558659.db2.gz WSJKRONXBMYPPU-JTQLQIEISA-N -1 0 306.274 -0.210 20 0 DBADRM COCCCN(CCO)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001599221966 1017560176 /nfs/dbraw/zinc/56/01/76/1017560176.db2.gz JSUQGPJAUGDSFV-UHFFFAOYSA-N -1 0 300.315 -0.019 20 0 DBADRM COCCCCS(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001599223791 1017560756 /nfs/dbraw/zinc/56/07/56/1017560756.db2.gz PSJJZVVGJFNAMC-UHFFFAOYSA-N -1 0 308.400 -0.165 20 0 DBADRM COCCCCCNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001599222422 1017560647 /nfs/dbraw/zinc/56/06/47/1017560647.db2.gz DVKKFQUTMDXIOV-QWRGUYRKSA-N -1 0 316.354 -0.787 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@H]1CC(c2cn(C)nc2C)=NO1 ZINC001599233876 1017562359 /nfs/dbraw/zinc/56/23/59/1017562359.db2.gz LWFPJAGOPQRKRQ-GFCCVEGCSA-N -1 0 324.337 -0.219 20 0 DBADRM COCCN(C)S(=O)(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001599232008 1017562874 /nfs/dbraw/zinc/56/28/74/1017562874.db2.gz KNCLAISHAQPYLE-NXEZZACHSA-N -1 0 310.372 -0.864 20 0 DBADRM COCCN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001599232888 1017563259 /nfs/dbraw/zinc/56/32/59/1017563259.db2.gz VXLDUCYOAUKBOO-LBPRGKRZSA-N -1 0 322.317 -0.030 20 0 DBADRM COCCN(C)CCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001599231619 1017563718 /nfs/dbraw/zinc/56/37/18/1017563718.db2.gz DUVTXKFQJFBOSL-UHFFFAOYSA-N -1 0 317.367 -0.364 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001599233727 1017565152 /nfs/dbraw/zinc/56/51/52/1017565152.db2.gz WWRULZKZKNZQKG-UHFFFAOYSA-N -1 0 312.326 -0.856 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)CCCN1C(=O)CNC1=O ZINC001599235097 1017566279 /nfs/dbraw/zinc/56/62/79/1017566279.db2.gz QNPDRGBXEHCAHM-UHFFFAOYSA-N -1 0 315.326 -0.732 20 0 DBADRM COCCN1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1=O ZINC001599242121 1017567686 /nfs/dbraw/zinc/56/76/86/1017567686.db2.gz OBXDWUNPNBXFKG-UHFFFAOYSA-N -1 0 318.307 -0.585 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC001599262528 1017577031 /nfs/dbraw/zinc/57/70/31/1017577031.db2.gz XTCQVZZTZHLMQW-UWVGGRQHSA-N -1 0 307.368 -0.241 20 0 DBADRM COCC[NH+]1CCC(NC(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001599241213 1017568166 /nfs/dbraw/zinc/56/81/66/1017568166.db2.gz WBGWDAZRVBWPLK-UHFFFAOYSA-N -1 0 315.370 -0.806 20 0 DBADRM COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c[n-]c(C(=O)[O-])c2)C1 ZINC001599244164 1017568443 /nfs/dbraw/zinc/56/84/43/1017568443.db2.gz XBRNTIRRCQLAPP-SECBINFHSA-N -1 0 317.367 -0.288 20 0 DBADRM COCCN1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001599242452 1017568565 /nfs/dbraw/zinc/56/85/65/1017568565.db2.gz FBPVIIKLMBPFJD-UHFFFAOYSA-N -1 0 308.400 -0.309 20 0 DBADRM COCCN1C[C@H](C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)CC1=O ZINC001599241694 1017568696 /nfs/dbraw/zinc/56/86/96/1017568696.db2.gz ZETOQDBKJNKTNL-YGRLFVJLSA-N -1 0 314.338 -0.817 20 0 DBADRM COCCOC[C@@H](C)NC(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001599250060 1017570717 /nfs/dbraw/zinc/57/07/17/1017570717.db2.gz UAONULYYDCYCKX-ZWNOBZJWSA-N -1 0 304.343 -0.077 20 0 DBADRM COCCOCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599246705 1017570758 /nfs/dbraw/zinc/57/07/58/1017570758.db2.gz FHSIQGFFUCUTKD-DBIOUOCHSA-N -1 0 314.338 -0.867 20 0 DBADRM COCCOC[C@@H](C)NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599249808 1017571545 /nfs/dbraw/zinc/57/15/45/1017571545.db2.gz ONLMZMHXMMTMCQ-MXWKQRLJSA-N -1 0 304.343 -0.079 20 0 DBADRM COCCOC1CN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001599249363 1017571764 /nfs/dbraw/zinc/57/17/64/1017571764.db2.gz JZNVXCSYOQBWNI-IUCAKERBSA-N -1 0 317.342 -0.979 20 0 DBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001599246353 1017572132 /nfs/dbraw/zinc/57/21/32/1017572132.db2.gz GYLFACIEVPZTSE-AXFHLTTASA-N -1 0 322.333 -0.536 20 0 DBADRM COCCOCC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599246707 1017572253 /nfs/dbraw/zinc/57/22/53/1017572253.db2.gz FHSIQGFFUCUTKD-NAKRPEOUSA-N -1 0 314.338 -0.867 20 0 DBADRM COCCOCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001599251816 1017573480 /nfs/dbraw/zinc/57/34/80/1017573480.db2.gz ZSRSFRQGKKWWPB-ZJUUUORDSA-N -1 0 302.327 -0.913 20 0 DBADRM COCCOCCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001599251172 1017574134 /nfs/dbraw/zinc/57/41/34/1017574134.db2.gz ZHQUTGIYXSFCPU-JOYOIKCWSA-N -1 0 323.367 -0.956 20 0 DBADRM COCCOCCC(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001599250904 1017574610 /nfs/dbraw/zinc/57/46/10/1017574610.db2.gz GJFGPTWPVMYZDI-WDEREUQCSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCOCCN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001599251659 1017574829 /nfs/dbraw/zinc/57/48/29/1017574829.db2.gz TZMMXBHGBIIGLI-RYUDHWBXSA-N -1 0 300.355 -0.486 20 0 DBADRM COCCOCCN1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001599250688 1017574969 /nfs/dbraw/zinc/57/49/69/1017574969.db2.gz QPYAZPHMLJIBGA-NWDGAFQWSA-N -1 0 300.355 -0.487 20 0 DBADRM COCCc1noc(CN(C)C(=O)NCCOCC(=O)[O-])n1 ZINC001599264855 1017575539 /nfs/dbraw/zinc/57/55/39/1017575539.db2.gz JMUBSCJZUMMVEG-UHFFFAOYSA-N -1 0 316.314 -0.499 20 0 DBADRM COCCS(=O)(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599262796 1017575598 /nfs/dbraw/zinc/57/55/98/1017575598.db2.gz OWLPKYREFURRTD-QMMMGPOBSA-N -1 0 304.328 -0.801 20 0 DBADRM COCCS(=O)(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001599262639 1017575841 /nfs/dbraw/zinc/57/58/41/1017575841.db2.gz HRXWAOCRFCFFEC-VIFPVBQESA-N -1 0 310.372 -0.832 20 0 DBADRM COCCn1cc(N2C[C@H](C(=O)OCC(=O)[O-])CC2=O)cn1 ZINC001599270345 1017576048 /nfs/dbraw/zinc/57/60/48/1017576048.db2.gz AXNUYFKRBOOYBE-SECBINFHSA-N -1 0 311.294 -0.490 20 0 DBADRM COCCn1c(C[C@H](C)O)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001599268063 1017576303 /nfs/dbraw/zinc/57/63/03/1017576303.db2.gz LGTFQUYNMSMJQR-VHSXEESVSA-N -1 0 314.342 -0.862 20 0 DBADRM COCCn1cc(NC(=O)NCCOCC(=O)[O-])ccc1=O ZINC001599271479 1017576353 /nfs/dbraw/zinc/57/63/53/1017576353.db2.gz OISKOOBPLKVBCJ-UHFFFAOYSA-N -1 0 313.310 -0.283 20 0 DBADRM COCCn1cc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)nn1 ZINC001599271558 1017576617 /nfs/dbraw/zinc/57/66/17/1017576617.db2.gz KKXVDRZHAINSIT-NSHDSACASA-N -1 0 305.294 -0.125 20 0 DBADRM COCCn1c(COC)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001599268045 1017576650 /nfs/dbraw/zinc/57/66/50/1017576650.db2.gz FLCUAKXYRKYJCN-SECBINFHSA-N -1 0 300.315 -0.639 20 0 DBADRM COCCn1ccc(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)n1 ZINC001599271727 1017578233 /nfs/dbraw/zinc/57/82/33/1017578233.db2.gz PRUWSDQXJAHNSR-MNOVXSKESA-N -1 0 311.338 -0.003 20 0 DBADRM COC[C@@H](O)CNC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001599276443 1017578272 /nfs/dbraw/zinc/57/82/72/1017578272.db2.gz WUPDMNIFGZGRCH-IUCAKERBSA-N -1 0 312.326 -0.277 20 0 DBADRM COC[C@@H](O)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001599276035 1017578535 /nfs/dbraw/zinc/57/85/35/1017578535.db2.gz LUGIHIXXAUZJMA-NSHDSACASA-N -1 0 310.306 -0.624 20 0 DBADRM COCCn1cc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])ccc1=O ZINC001599271682 1017578592 /nfs/dbraw/zinc/57/85/92/1017578592.db2.gz PNDQCMHVKBHBNY-CMPLNLGQSA-N -1 0 310.306 -0.533 20 0 DBADRM COCCn1cc(C(=O)N[C@H](CCC(=O)[O-])C(=O)OC)cn1 ZINC001599272278 1017578699 /nfs/dbraw/zinc/57/86/99/1017578699.db2.gz XNRCWVBOMZNPAA-SNVBAGLBSA-N -1 0 313.310 -0.334 20 0 DBADRM COCCn1ncc(C(=O)NC2(C(=O)[O-])CC(CO)C2)c1C ZINC001599273872 1017578819 /nfs/dbraw/zinc/57/88/19/1017578819.db2.gz OYCGQPCNARTSAB-UHFFFAOYSA-N -1 0 311.338 -0.207 20 0 DBADRM COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)C(=O)[O-] ZINC001599276082 1017578975 /nfs/dbraw/zinc/57/89/75/1017578975.db2.gz XWUNKVWGPOIJCL-YUMQZZPRSA-N -1 0 306.315 -0.912 20 0 DBADRM COCCn1nc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)ccc1=O ZINC001599274513 1017579034 /nfs/dbraw/zinc/57/90/34/1017579034.db2.gz ZTWCKZRZGOLMDZ-SNVBAGLBSA-N -1 0 307.306 -0.207 20 0 DBADRM COCc1nc(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)n(C)n1 ZINC001599299726 1017580891 /nfs/dbraw/zinc/58/08/91/1017580891.db2.gz NMWFSYQXZIHMHJ-QMMMGPOBSA-N -1 0 314.367 -0.149 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001599277061 1017581823 /nfs/dbraw/zinc/58/18/23/1017581823.db2.gz PVTSWZHRJCOUPH-LURJTMIESA-N -1 0 302.308 -0.492 20 0 DBADRM COCc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)no1 ZINC001599279283 1017582119 /nfs/dbraw/zinc/58/21/19/1017582119.db2.gz PWTDDUSPGXFNSP-NXEZZACHSA-N -1 0 323.305 -0.518 20 0 DBADRM COCn1ccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])n1 ZINC001599307220 1017583166 /nfs/dbraw/zinc/58/31/66/1017583166.db2.gz OSRUIZJXYKCSMP-JTQLQIEISA-N -1 0 310.310 -0.708 20 0 DBADRM COCc1noc(CN(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001599307718 1017583872 /nfs/dbraw/zinc/58/38/72/1017583872.db2.gz DYFAPLXCYSOPTJ-BDAKNGLRSA-N -1 0 312.326 -0.515 20 0 DBADRM CON(C(=O)CCC(=O)N1CCOCC1)[C@@H](C)CC(=O)[O-] ZINC001599309569 1017584487 /nfs/dbraw/zinc/58/44/87/1017584487.db2.gz DEIWXARCRCWWLL-JTQLQIEISA-N -1 0 302.327 -0.121 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)c1cc(C(=O)[O-])no1)CC2 ZINC001599302279 1017584910 /nfs/dbraw/zinc/58/49/10/1017584910.db2.gz AKYKMPKTYVUEPX-ZETCQYMHSA-N -1 0 321.293 -0.145 20 0 DBADRM CON(C(=O)C[C@]1(C)CCS(=O)(=O)N1)[C@H](C)CC(=O)[O-] ZINC001599312957 1017585525 /nfs/dbraw/zinc/58/55/25/1017585525.db2.gz UWCQRZDGHKHLJB-KCJUWKMLSA-N -1 0 308.356 -0.289 20 0 DBADRM CON(C)C(=O)[C@@H](C)NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599315065 1017585650 /nfs/dbraw/zinc/58/56/50/1017585650.db2.gz LGFNTNVPRWZHJR-HLTSFMKQSA-N -1 0 303.315 -0.722 20 0 DBADRM CON1CCC(CC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CC1 ZINC001599318064 1017585750 /nfs/dbraw/zinc/58/57/50/1017585750.db2.gz DJYWSARYZHUNFW-NSHDSACASA-N -1 0 311.342 -0.489 20 0 DBADRM CON(C(=O)c1cn(C(F)(F)CO)nn1)[C@@H](C)CC(=O)[O-] ZINC001599312354 1017585966 /nfs/dbraw/zinc/58/59/66/1017585966.db2.gz CYTKBNLBVHNXOS-LURJTMIESA-N -1 0 308.241 -0.314 20 0 DBADRM CON(C)C(=O)CNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001599315981 1017586034 /nfs/dbraw/zinc/58/60/34/1017586034.db2.gz RLKBKIHQIKRPPZ-UHFFFAOYSA-N -1 0 323.305 -0.232 20 0 DBADRM CON(C)C[C@H](O)Cn1cc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])cn1 ZINC001599316981 1017586253 /nfs/dbraw/zinc/58/62/53/1017586253.db2.gz XFULERMYHXQLAG-GARJFASQSA-N -1 0 312.326 -0.604 20 0 DBADRM CON(C)C(=O)CNC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001599315903 1017586728 /nfs/dbraw/zinc/58/67/28/1017586728.db2.gz OAYGJATWQBWYPR-UHFFFAOYSA-N -1 0 311.298 -0.764 20 0 DBADRM CON(C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)[C@@H](C)CC(=O)[O-] ZINC001599314423 1017586763 /nfs/dbraw/zinc/58/67/63/1017586763.db2.gz UWFJQYUKSPLORC-GCVBLCJJSA-N -1 0 313.306 -0.040 20 0 DBADRM CON(C(=O)C1CCN(S(N)(=O)=O)CC1)[C@@H](C)CC(=O)[O-] ZINC001599310423 1017587051 /nfs/dbraw/zinc/58/70/51/1017587051.db2.gz LFPDQEPZDIPDQM-QMMMGPOBSA-N -1 0 323.371 -0.845 20 0 DBADRM CON(C)C(=O)C1CCN(C(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001599315729 1017587315 /nfs/dbraw/zinc/58/73/15/1017587315.db2.gz ICJJLIXQANPTJU-VIFPVBQESA-N -1 0 305.306 -0.150 20 0 DBADRM CO[C@@H]1CN(C(=O)COCc2ocnc2C(=O)[O-])C[C@H]1O ZINC001599322341 1017589669 /nfs/dbraw/zinc/58/96/69/1017589669.db2.gz JBSAKINQICCUMQ-HTQZYQBOSA-N -1 0 300.267 -0.893 20 0 DBADRM CONC(=O)C1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC001599319907 1017589962 /nfs/dbraw/zinc/58/99/62/1017589962.db2.gz DTOTWAUZIZFIOL-UHFFFAOYSA-N -1 0 308.356 -0.429 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])C[C@H]1O ZINC001599322342 1017590048 /nfs/dbraw/zinc/59/00/48/1017590048.db2.gz JHWOHJOXJZPMSF-HTQZYQBOSA-N -1 0 314.319 -0.397 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@](C)(CCF)C(=O)[O-] ZINC001599328484 1017590733 /nfs/dbraw/zinc/59/07/33/1017590733.db2.gz FSPWSFWFIVFZMU-NSHDSACASA-N -1 0 303.246 -0.171 20 0 DBADRM COc1c(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c(C)nn1C ZINC001599328101 1017591065 /nfs/dbraw/zinc/59/10/65/1017591065.db2.gz IMKOOKKNZCTBTJ-SECBINFHSA-N -1 0 307.310 -0.114 20 0 DBADRM CO[C@@H]1CN(c2nnnn2C2CC(CC(=O)[O-])C2)C[C@@H]1OC ZINC001599326383 1017591313 /nfs/dbraw/zinc/59/13/13/1017591313.db2.gz WBFBHIUQIWFNPC-HWACXVBKSA-N -1 0 311.342 -0.051 20 0 DBADRM CO[C@H]1C[C@H](CNC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001599326948 1017591891 /nfs/dbraw/zinc/59/18/91/1017591891.db2.gz ZHXGYCLHTPRNHY-GMTAPVOTSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@@H]1CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C[C@@H]1OC ZINC001599325506 1017591934 /nfs/dbraw/zinc/59/19/34/1017591934.db2.gz GYHBOELDOKMFEM-MXWKQRLJSA-N -1 0 314.338 -0.818 20 0 DBADRM COc1c2cnn(C)c2ncc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001599327980 1017592020 /nfs/dbraw/zinc/59/20/20/1017592020.db2.gz AVIFSYPFQUGDQA-SNVBAGLBSA-N -1 0 320.305 -0.098 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2csnc2C(=O)[O-])C[C@@H]1OC ZINC001599326130 1017593155 /nfs/dbraw/zinc/59/31/55/1017593155.db2.gz PQZIYAHRXJJQHX-KNVOCYPGSA-N -1 0 322.364 -0.124 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NCC(=O)N1CCNC(=O)C1 ZINC001599376426 1017594189 /nfs/dbraw/zinc/59/41/89/1017594189.db2.gz YPVOHZDQANSZBK-UHFFFAOYSA-N -1 0 307.306 -0.236 20 0 DBADRM COc1c(NCC23COCCN2CCOC3)ncnc1C(=O)[O-] ZINC001599344015 1017595609 /nfs/dbraw/zinc/59/56/09/1017595609.db2.gz DLZUTZPGHPORAN-UHFFFAOYSA-N -1 0 324.337 -0.304 20 0 DBADRM CS(=O)(=O)[C@H]1CCCCN(C(=O)NCCOCC(=O)[O-])C1 ZINC001599744540 1017615392 /nfs/dbraw/zinc/61/53/92/1017615392.db2.gz AUXAQZGQDPRAJI-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM COc1cc(NC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])[nH]n1 ZINC001599435357 1017596625 /nfs/dbraw/zinc/59/66/25/1017596625.db2.gz NCRROYNLCVDNHK-SSDOTTSWSA-N -1 0 311.298 -0.385 20 0 DBADRM COc1cc(F)cc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001599425699 1017596729 /nfs/dbraw/zinc/59/67/29/1017596729.db2.gz KIBUPXCSURUNLX-SECBINFHSA-N -1 0 314.269 -0.275 20 0 DBADRM COc1cc(C)cnc1C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001599395229 1017596821 /nfs/dbraw/zinc/59/68/21/1017596821.db2.gz RVBGOWKQVSKEEK-SECBINFHSA-N -1 0 305.294 -0.127 20 0 DBADRM COc1cc(COCC(=O)N2CC[C@@](O)(C(=O)[O-])C2)ccn1 ZINC001599416998 1017597538 /nfs/dbraw/zinc/59/75/38/1017597538.db2.gz NNYCPBFKNKIUIO-AWEZNQCLSA-N -1 0 310.306 -0.345 20 0 DBADRM COc1ccc(COC[C@@H](O)Cn2nnc(CC(=O)[O-])n2)cc1 ZINC001599575276 1017602303 /nfs/dbraw/zinc/60/23/03/1017602303.db2.gz RWBCVGXXEYUEHJ-NSHDSACASA-N -1 0 322.321 -0.114 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC001599562494 1017602373 /nfs/dbraw/zinc/60/23/73/1017602373.db2.gz NIDBRHWMERMSKX-JTQLQIEISA-N -1 0 323.305 -0.982 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1 ZINC001599586371 1017602858 /nfs/dbraw/zinc/60/28/58/1017602858.db2.gz QGLGVVDJJBIPGJ-KOLCDFICSA-N -1 0 322.317 -0.072 20 0 DBADRM COc1ccc(CCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cn1 ZINC001599552616 1017602951 /nfs/dbraw/zinc/60/29/51/1017602951.db2.gz SAVQVKPRFAZZFB-NSHDSACASA-N -1 0 321.333 -0.176 20 0 DBADRM COc1ccc(CN2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001599561902 1017602999 /nfs/dbraw/zinc/60/29/99/1017602999.db2.gz SMDDSBLFJGDEQF-RYUDHWBXSA-N -1 0 320.349 -0.150 20 0 DBADRM COc1ccc(CNC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001599572463 1017603080 /nfs/dbraw/zinc/60/30/80/1017603080.db2.gz MDPVUSRJMYBEPW-QWRGUYRKSA-N -1 0 320.349 -0.056 20 0 DBADRM COc1ccc(COCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cn1 ZINC001599575283 1017603641 /nfs/dbraw/zinc/60/36/41/1017603641.db2.gz SARVZLJUEBILFU-GXFFZTMASA-N -1 0 310.306 -0.035 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1O ZINC001599564565 1017603740 /nfs/dbraw/zinc/60/37/40/1017603740.db2.gz NBZRUMMMBXPTHQ-JTQLQIEISA-N -1 0 322.317 -0.050 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001599750559 1017621099 /nfs/dbraw/zinc/62/10/99/1017621099.db2.gz IKXKMAQUTAIDDT-NXEZZACHSA-N -1 0 307.368 -0.193 20 0 DBADRM COc1cccc(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC001599666222 1017604984 /nfs/dbraw/zinc/60/49/84/1017604984.db2.gz WRDJTWOEMLXZOH-JTQLQIEISA-N -1 0 307.306 -0.566 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H]2CNC(=O)C2)c(C(=O)[O-])c1 ZINC001599614511 1017605029 /nfs/dbraw/zinc/60/50/29/1017605029.db2.gz QSGZDXUQULMRMY-SSDOTTSWSA-N -1 0 314.319 -0.440 20 0 DBADRM COc1ccc(OC)c(NC(=O)C(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC001599604650 1017605264 /nfs/dbraw/zinc/60/52/64/1017605264.db2.gz MJWOJGMSVICCSR-VIFPVBQESA-N -1 0 312.278 -0.796 20 0 DBADRM COc1ccc(NC(=O)C(=O)NC2(C(=O)[O-])CC2)c(OC)n1 ZINC001599588666 1017605398 /nfs/dbraw/zinc/60/53/98/1017605398.db2.gz ZESIWHZVXHDRBH-UHFFFAOYSA-N -1 0 309.278 -0.229 20 0 DBADRM COc1ccc([C@@]2(C(=O)NC[C@H](O)C(=O)[O-])C[C@@H](O)C2)cc1 ZINC001599621439 1017606548 /nfs/dbraw/zinc/60/65/48/1017606548.db2.gz KAAVOCJMYCFZJB-WBIUFABUSA-N -1 0 309.318 -0.351 20 0 DBADRM COc1cccc(C(=O)NCC(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001599642960 1017606586 /nfs/dbraw/zinc/60/65/86/1017606586.db2.gz GQULBURHNGWMGF-JTQLQIEISA-N -1 0 310.306 -0.623 20 0 DBADRM COc1cccc(C)c1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001599661732 1017606656 /nfs/dbraw/zinc/60/66/56/1017606656.db2.gz ODACKZSAWSKXNY-VIFPVBQESA-N -1 0 310.306 -0.106 20 0 DBADRM COc1ccc(O)cc1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001599599891 1017606792 /nfs/dbraw/zinc/60/67/92/1017606792.db2.gz VJFPBQDGVWEXSX-SNVBAGLBSA-N -1 0 308.290 -0.184 20 0 DBADRM COc1ccc2ncc(=O)n(CC(=O)NCCC(=O)[O-])c2c1 ZINC001599634637 1017606804 /nfs/dbraw/zinc/60/68/04/1017606804.db2.gz COGWBCPZNCQDHY-UHFFFAOYSA-N -1 0 305.290 -0.004 20 0 DBADRM COc1cccc([C@H](NC(=O)CN2C(=O)CNC2=O)C(=O)[O-])c1 ZINC001599685036 1017608043 /nfs/dbraw/zinc/60/80/43/1017608043.db2.gz BMLOBWXCGPECQS-LBPRGKRZSA-N -1 0 321.289 -0.511 20 0 DBADRM COc1cccc([C@H](NC(=O)[C@@H]2OCCN(C)C2=O)C(=O)[O-])c1 ZINC001599685588 1017608562 /nfs/dbraw/zinc/60/85/62/1017608562.db2.gz UBMPGWJQTBSMNE-RYUDHWBXSA-N -1 0 322.317 -0.206 20 0 DBADRM COc1ccccc1[C@@H](O)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001599702420 1017608744 /nfs/dbraw/zinc/60/87/44/1017608744.db2.gz XGLGMPDUVGDRHF-CMPLNLGQSA-N -1 0 320.305 -0.410 20 0 DBADRM COc1ccccc1N(CCC(N)=O)C(=O)CN(C)CC(=O)[O-] ZINC001599713082 1017608880 /nfs/dbraw/zinc/60/88/80/1017608880.db2.gz QDKPRBCVVXXRSE-UHFFFAOYSA-N -1 0 323.349 -0.080 20 0 DBADRM COc1ccccc1C[C@@H](CNC(=O)CNC(N)=O)C(=O)[O-] ZINC001599707746 1017609249 /nfs/dbraw/zinc/60/92/49/1017609249.db2.gz QVUHNZXJZKKFDL-JTQLQIEISA-N -1 0 309.322 -0.277 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001599700111 1017609307 /nfs/dbraw/zinc/60/93/07/1017609307.db2.gz QLXWVBVAKDBTJA-AWEZNQCLSA-N -1 0 310.306 -0.623 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599758099 1017624603 /nfs/dbraw/zinc/62/46/03/1017624603.db2.gz JCSXZBNPMHXUIK-QEYWKRMJSA-N -1 0 304.368 -0.459 20 0 DBADRM CS(=O)(=O)NCCCOC(=O)c1ccc(C(=O)[O-])nc1 ZINC001599761690 1017627241 /nfs/dbraw/zinc/62/72/41/1017627241.db2.gz XXWGCAIBZOISCB-UHFFFAOYSA-N -1 0 302.308 -0.124 20 0 DBADRM COc1cncc(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])n1 ZINC001599726656 1017611716 /nfs/dbraw/zinc/61/17/16/1017611716.db2.gz WFBZGXOTHXTZMN-SNVBAGLBSA-N -1 0 315.351 -0.441 20 0 DBADRM COc1cncc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001599726075 1017611838 /nfs/dbraw/zinc/61/18/38/1017611838.db2.gz WXKUUZHFEKBJDH-BDAKNGLRSA-N -1 0 320.305 -0.854 20 0 DBADRM COc1nc(N2CCN(C(=O)[C@H](C)O)CC2)ccc1C(=O)[O-] ZINC001599730811 1017613028 /nfs/dbraw/zinc/61/30/28/1017613028.db2.gz OCXCSRKNYMNMPB-VIFPVBQESA-N -1 0 309.322 -0.182 20 0 DBADRM COc1nnccc1NC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001599738122 1017613043 /nfs/dbraw/zinc/61/30/43/1017613043.db2.gz HZJZHTOIJWXFIP-VIFPVBQESA-N -1 0 323.309 -0.318 20 0 DBADRM COc1ncc(C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])cn1 ZINC001599733138 1017613707 /nfs/dbraw/zinc/61/37/07/1017613707.db2.gz OXVSVRNAICGQCL-CYBMUJFWSA-N -1 0 305.294 -0.045 20 0 DBADRM COc1cccnc1C(=O)NCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001599732465 1017614273 /nfs/dbraw/zinc/61/42/73/1017614273.db2.gz QVPDSBSLSNTTST-RKDXNWHRSA-N -1 0 307.306 -0.343 20 0 DBADRM COc1nnc(NC(=O)N2CCC(O)(C(=O)[O-])CC2)s1 ZINC001599738799 1017615076 /nfs/dbraw/zinc/61/50/76/1017615076.db2.gz UGFOACOBUVSMLM-UHFFFAOYSA-N -1 0 302.312 -0.010 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC001599739015 1017615283 /nfs/dbraw/zinc/61/52/83/1017615283.db2.gz HDXFLJMOCFXBJE-HTQZYQBOSA-N -1 0 310.310 -0.263 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599739493 1017615524 /nfs/dbraw/zinc/61/55/24/1017615524.db2.gz NTUPOQWCOZKFMY-MRVPVSSYSA-N -1 0 324.293 -0.874 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001599739933 1017615697 /nfs/dbraw/zinc/61/56/97/1017615697.db2.gz SQDQZSKNXSGAMJ-SECBINFHSA-N -1 0 324.337 -0.016 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC001599739016 1017615806 /nfs/dbraw/zinc/61/58/06/1017615806.db2.gz HDXFLJMOCFXBJE-JGVFFNPUSA-N -1 0 310.310 -0.263 20 0 DBADRM COc1nn(C)cc1NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001599738960 1017616288 /nfs/dbraw/zinc/61/62/88/1017616288.db2.gz DUMWHHCIQOTLGI-UHFFFAOYSA-N -1 0 306.278 -0.073 20 0 DBADRM CS(=O)(=O)C1(C(=O)NCCC(=O)NCCC(=O)[O-])CCC1 ZINC001599743881 1017616310 /nfs/dbraw/zinc/61/63/10/1017616310.db2.gz LLIOTDNTLFKMSY-UHFFFAOYSA-N -1 0 320.367 -0.949 20 0 DBADRM COc1nscc1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001599743758 1017616418 /nfs/dbraw/zinc/61/64/18/1017616418.db2.gz VMLCAPJFPUKEIJ-QMMMGPOBSA-N -1 0 306.365 -0.165 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(C(=O)c2cc(C(=O)[O-])on2)CCO1 ZINC001599749490 1017617615 /nfs/dbraw/zinc/61/76/15/1017617615.db2.gz SADSHORWCDAGST-SSDOTTSWSA-N -1 0 318.307 -0.742 20 0 DBADRM CS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001599746993 1017618050 /nfs/dbraw/zinc/61/80/50/1017618050.db2.gz XEQOQIWILRZSQY-KXUCPTDWSA-N -1 0 320.367 -0.695 20 0 DBADRM CS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001599746994 1017618465 /nfs/dbraw/zinc/61/84/65/1017618465.db2.gz XEQOQIWILRZSQY-OPRDCNLKSA-N -1 0 320.367 -0.695 20 0 DBADRM CSC[C@H](C)NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599792681 1017635249 /nfs/dbraw/zinc/63/52/49/1017635249.db2.gz MSEWKRWATGDSEO-YIZRAAEISA-N -1 0 304.368 -0.445 20 0 DBADRM CS(=O)(=O)C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])c1ccccc1 ZINC001599749394 1017618853 /nfs/dbraw/zinc/61/88/53/1017618853.db2.gz RKKYVJHWARXVFJ-MNOVXSKESA-N -1 0 315.347 -0.624 20 0 DBADRM CS(=O)(=O)CC1(NC(=O)c2cc(C(=O)[O-])co2)COC1 ZINC001599748269 1017618920 /nfs/dbraw/zinc/61/89/20/1017618920.db2.gz LWZKWXYVILUCMJ-UHFFFAOYSA-N -1 0 303.292 -0.479 20 0 DBADRM CS(=O)(=O)CCCC(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001599750474 1017620078 /nfs/dbraw/zinc/62/00/78/1017620078.db2.gz FTSBBNXCSRIKFL-QMMMGPOBSA-N -1 0 309.340 -0.856 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)Cc1ccccc1C(=O)[O-] ZINC001599749693 1017620969 /nfs/dbraw/zinc/62/09/69/1017620969.db2.gz UVZXQGJSTXAMNS-SNVBAGLBSA-N -1 0 315.347 -0.551 20 0 DBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCCCC(=O)C(=O)[O-] ZINC001599754832 1017622166 /nfs/dbraw/zinc/62/21/66/1017622166.db2.gz DVXZKXSRGMIJGQ-SECBINFHSA-N -1 0 321.351 -0.222 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1 ZINC001599753792 1017622350 /nfs/dbraw/zinc/62/23/50/1017622350.db2.gz GRNODSRROORPMG-MKHNBGRSSA-N -1 0 316.379 -0.507 20 0 DBADRM CS(=O)(=O)N1CC[C@H](COC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001599754790 1017623087 /nfs/dbraw/zinc/62/30/87/1017623087.db2.gz JRGMGZOQHLMVKZ-LPEHRKFASA-N -1 0 321.351 -0.557 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)OCc1oncc1C(=O)[O-] ZINC001599755892 1017623327 /nfs/dbraw/zinc/62/33/27/1017623327.db2.gz REGNSHDMCREDIS-QMMMGPOBSA-N -1 0 318.307 -0.160 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001599756396 1017623445 /nfs/dbraw/zinc/62/34/45/1017623445.db2.gz XTQKMBUCIZXSRV-BBBLOLIVSA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(c2nccnc2C(=O)[O-])C1 ZINC001599759026 1017624334 /nfs/dbraw/zinc/62/43/34/1017624334.db2.gz FFJDSZUJKPIRJW-SECBINFHSA-N -1 0 314.367 -0.060 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599758098 1017625074 /nfs/dbraw/zinc/62/50/74/1017625074.db2.gz JCSXZBNPMHXUIK-AXTSPUMRSA-N -1 0 304.368 -0.459 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001599758805 1017625135 /nfs/dbraw/zinc/62/51/35/1017625135.db2.gz YBLRUTYYUWGQFQ-UHFFFAOYSA-N -1 0 316.310 -0.103 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(c2nccc(C(=O)[O-])n2)C1 ZINC001599758663 1017625204 /nfs/dbraw/zinc/62/52/04/1017625204.db2.gz TZERPDMKNKTDPE-VIFPVBQESA-N -1 0 314.367 -0.060 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001599757440 1017625425 /nfs/dbraw/zinc/62/54/25/1017625425.db2.gz HOPZUJDARFEKKP-SECBINFHSA-N -1 0 315.351 -0.133 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001599757270 1017625547 /nfs/dbraw/zinc/62/55/47/1017625547.db2.gz DYKSFVUOTLRQER-YUMQZZPRSA-N -1 0 311.335 -0.868 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001599758327 1017625645 /nfs/dbraw/zinc/62/56/45/1017625645.db2.gz MHNBCEUJJNVXBZ-LMLFDSFASA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1cc(Cl)no1)C(=O)[O-] ZINC001599763083 1017626700 /nfs/dbraw/zinc/62/67/00/1017626700.db2.gz QCJASPDQMQFIMM-QUBYGPBYSA-N -1 0 322.726 -0.054 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C[C@@H]1CCCO1)C(=O)[O-] ZINC001599762927 1017627439 /nfs/dbraw/zinc/62/74/39/1017627439.db2.gz MXZWZNXAAQHJOQ-HOTUBEGUSA-N -1 0 305.352 -0.440 20 0 DBADRM CS(=O)(=O)NCCC(=O)OCc1cnc(C(=O)[O-])cn1 ZINC001599760746 1017627503 /nfs/dbraw/zinc/62/75/03/1017627503.db2.gz KEQRVHBTYMPDLP-UHFFFAOYSA-N -1 0 303.296 -0.843 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CC[C@@H]1CCCO1)C(=O)[O-] ZINC001599763224 1017627542 /nfs/dbraw/zinc/62/75/42/1017627542.db2.gz VQYOFBGBWDIXFJ-OUJBWJOFSA-N -1 0 319.379 -0.050 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)co1 ZINC001599764500 1017628807 /nfs/dbraw/zinc/62/88/07/1017628807.db2.gz XGHKKFVVAZHHRM-APPZFPTMSA-N -1 0 317.319 -0.409 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])co1 ZINC001599764548 1017628959 /nfs/dbraw/zinc/62/89/59/1017628959.db2.gz YGRPWAGMSKTZAY-PSASIEDQSA-N -1 0 317.319 -0.267 20 0 DBADRM CS(=O)(=O)c1ccnc(NC(=O)NCCOCC(=O)[O-])c1 ZINC001599774184 1017629985 /nfs/dbraw/zinc/62/99/85/1017629985.db2.gz VWAUCSAOIJCVGL-UHFFFAOYSA-N -1 0 317.323 -0.292 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001599776410 1017631444 /nfs/dbraw/zinc/63/14/44/1017631444.db2.gz HPLHJJUTACACDW-OAQYLSRUSA-N -1 0 313.379 -0.151 20 0 DBADRM CS(C)(=O)=NCCNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001599781940 1017631473 /nfs/dbraw/zinc/63/14/73/1017631473.db2.gz ZMCPFIPRARHSHG-UHFFFAOYSA-N -1 0 315.351 -0.610 20 0 DBADRM CS[C@H](C)CNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001599783733 1017632175 /nfs/dbraw/zinc/63/21/75/1017632175.db2.gz PQAUMZXQRCNYMH-HRDYMLBCSA-N -1 0 304.368 -0.852 20 0 DBADRM CS(C)(=O)=NCCNS(=O)(=O)c1occc1C(=O)[O-] ZINC001599781749 1017632229 /nfs/dbraw/zinc/63/22/29/1017632229.db2.gz USMDSCJOKCSITR-UHFFFAOYSA-N -1 0 310.353 -0.016 20 0 DBADRM C[S@@](=O)C1(CNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC001599775578 1017632286 /nfs/dbraw/zinc/63/22/86/1017632286.db2.gz OFYGGTGYAATVOE-LAJNKCICSA-N -1 0 316.379 -0.663 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001599777114 1017632379 /nfs/dbraw/zinc/63/23/79/1017632379.db2.gz QADNTYBDHJGNKK-JOCHJYFZSA-N -1 0 324.358 -0.278 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)N1CCSC[C@H]1C(=O)[O-] ZINC001599781922 1017632406 /nfs/dbraw/zinc/63/24/06/1017632406.db2.gz YMDBEVSRGWAVAK-LURJTMIESA-N -1 0 302.399 -0.539 20 0 DBADRM CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001599786661 1017632415 /nfs/dbraw/zinc/63/24/15/1017632415.db2.gz DOMVRJOFCXAFIB-IYSWYEEDSA-N -1 0 309.369 -0.501 20 0 DBADRM CSCC[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C(N)=O ZINC001599800097 1017633618 /nfs/dbraw/zinc/63/36/18/1017633618.db2.gz BVTSXCPNLJISCI-AEJSXWLSSA-N -1 0 318.395 -0.021 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC001599830689 1017634304 /nfs/dbraw/zinc/63/43/04/1017634304.db2.gz YBABXANEISNIJD-JTQLQIEISA-N -1 0 323.349 -0.428 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001599801721 1017635108 /nfs/dbraw/zinc/63/51/08/1017635108.db2.gz XEEYAESRWZINOM-LURJTMIESA-N -1 0 315.355 -0.153 20 0 DBADRM C[C@@H](CNC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])[NH+](C)C ZINC001599837062 1017636287 /nfs/dbraw/zinc/63/62/87/1017636287.db2.gz YKNJKZPFELSCCM-LPEHRKFASA-N -1 0 301.343 -0.104 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)Cn1ccnc1 ZINC001599836129 1017636831 /nfs/dbraw/zinc/63/68/31/1017636831.db2.gz AIFWRVCHSIIAKM-VIFPVBQESA-N -1 0 304.310 -0.590 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1csc(=O)[nH]1 ZINC001599836159 1017637029 /nfs/dbraw/zinc/63/70/29/1017637029.db2.gz BZINICCZZFDDPX-LURJTMIESA-N -1 0 323.334 -0.011 20 0 DBADRM C[C@@H](O)CN(C)C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001599843014 1017637419 /nfs/dbraw/zinc/63/74/19/1017637419.db2.gz NOFRHVKHWVIGOE-SECBINFHSA-N -1 0 310.306 -0.072 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2cn(C)cn2)C[C@H]1CC(=O)[O-] ZINC001599849885 1017640797 /nfs/dbraw/zinc/64/07/97/1017640797.db2.gz HUNPVFOAISQHJU-NXEZZACHSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C2CC2)C[C@H]1CC(=O)[O-] ZINC001599848188 1017641289 /nfs/dbraw/zinc/64/12/89/1017641289.db2.gz TWQSTCPOJWQRSD-YUSALJHKSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(CO)C2)C[C@H]1C(=O)[O-] ZINC001599850261 1017641518 /nfs/dbraw/zinc/64/15/18/1017641518.db2.gz YWEXIENBIXVPAE-UEKVPHQBSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](C)(O)C2)C[C@@H](C(=O)[O-])O1 ZINC001599849482 1017641624 /nfs/dbraw/zinc/64/16/24/1017641624.db2.gz MPYOJFYLRMYSOZ-BFVZDQMLSA-N -1 0 314.338 -0.940 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCc2cccn2C)C[C@@H](C(=O)[O-])O1 ZINC001599849845 1017641667 /nfs/dbraw/zinc/64/16/67/1017641667.db2.gz DRYBHBQCTOUTNV-KOLCDFICSA-N -1 0 309.322 -0.658 20 0 DBADRM C[C@@H]1CN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)C[C@H]1C(=O)[O-] ZINC001599853809 1017643050 /nfs/dbraw/zinc/64/30/50/1017643050.db2.gz HYUREIAZBUEVJO-DZIUIEAZSA-N -1 0 323.349 -0.066 20 0 DBADRM C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1CC(=O)[O-] ZINC001599853321 1017643511 /nfs/dbraw/zinc/64/35/11/1017643511.db2.gz ICNKCDQNPKRCGO-NXEZZACHSA-N -1 0 306.384 -0.163 20 0 DBADRM C[C@@H]1CN(C(=O)CCCCCNC(N)=O)C[C@@H](C(=O)[O-])O1 ZINC001599853110 1017643607 /nfs/dbraw/zinc/64/36/07/1017643607.db2.gz HJOXTDGSLAYTKL-ZJUUUORDSA-N -1 0 301.343 -0.084 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCSC2)C[C@@H](C(=O)[O-])O1 ZINC001599851117 1017643661 /nfs/dbraw/zinc/64/36/61/1017643661.db2.gz OTZXJCBWQGJGMA-UTLUCORTSA-N -1 0 316.379 -0.444 20 0 DBADRM C[C@@H]1CN(C(=O)COc2ccc(C(N)=O)cc2)C[C@@H](C(=O)[O-])O1 ZINC001599855100 1017643843 /nfs/dbraw/zinc/64/38/43/1017643843.db2.gz VITUOKALRFVTMR-SKDRFNHKSA-N -1 0 322.317 -0.135 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599852937 1017643871 /nfs/dbraw/zinc/64/38/71/1017643871.db2.gz OIWPIXFWMLPAEH-VGMNWLOBSA-N -1 0 301.343 -0.230 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCc3nncn3CC2)C[C@@H](C(=O)[O-])O1 ZINC001599853528 1017644012 /nfs/dbraw/zinc/64/40/12/1017644012.db2.gz AMDZJZWADMIOBZ-VWYCJHECSA-N -1 0 308.338 -0.069 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccn(C)c2=O)C[C@H]1C(=O)[O-] ZINC001599851680 1017644123 /nfs/dbraw/zinc/64/41/23/1017644123.db2.gz IWRQKSLTFLEZJU-RKDXNWHRSA-N -1 0 307.306 -0.497 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC001599853906 1017644258 /nfs/dbraw/zinc/64/42/58/1017644258.db2.gz XZOLUKZVCPBAAF-ZJUUUORDSA-N -1 0 320.367 -0.888 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CSC2(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599851448 1017644467 /nfs/dbraw/zinc/64/44/67/1017644467.db2.gz VXSCSPZFGQYDSL-VGMNWLOBSA-N -1 0 316.379 -0.303 20 0 DBADRM C[C@@H]1CN(C(=O)NCCO[C@@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599858809 1017645176 /nfs/dbraw/zinc/64/51/76/1017645176.db2.gz TZVKIGDGSZIIOG-MXWKQRLJSA-N -1 0 302.327 -0.325 20 0 DBADRM C[C@@H]1CN(C(=O)NCCS(=O)(=O)C2CC2)C[C@H]1C(=O)[O-] ZINC001599858518 1017645471 /nfs/dbraw/zinc/64/54/71/1017645471.db2.gz JRKJTVLZILYXSO-PSASIEDQSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@@H]1CN(c2nnc([C@@H]3CC(=O)N(C)C3)n2C)C[C@H]1C(=O)[O-] ZINC001599869026 1017647619 /nfs/dbraw/zinc/64/76/19/1017647619.db2.gz AACZATQGGRNFSK-OPRDCNLKSA-N -1 0 307.354 -0.082 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N(CCS(C)(=O)=O)C2CC2)O[C@H]1C(=O)[O-] ZINC001599872163 1017648574 /nfs/dbraw/zinc/64/85/74/1017648574.db2.gz MCIQSLZXRKEAIY-FBIMIBRVSA-N -1 0 319.379 -0.100 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN([C@H]3CCOC3)CC2)O[C@H]1C(=O)[O-] ZINC001599874489 1017650120 /nfs/dbraw/zinc/65/01/20/1017650120.db2.gz JYIFMLYYMLSFEH-YVECIDJPSA-N -1 0 312.366 -0.202 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN[C@@H](c3cn[nH]c3)C2)O[C@H]1C(=O)[O-] ZINC001599873551 1017650230 /nfs/dbraw/zinc/65/02/30/1017650230.db2.gz AWWPUQHVHNCQBN-HJQYOEGKSA-N -1 0 308.338 -0.239 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H]2CCCOC2)O[C@H]1C(=O)[O-] ZINC001599873776 1017650723 /nfs/dbraw/zinc/65/07/23/1017650723.db2.gz MXQMXLIGULQFKA-RMPHRYRLSA-N -1 0 301.339 -0.232 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCC(=O)N=S(C)(C)=O)O[C@H]1C(=O)[O-] ZINC001599874720 1017651034 /nfs/dbraw/zinc/65/10/34/1017651034.db2.gz IBHQZVVCYYTHDI-ZXFLCMHBSA-N -1 0 306.340 -0.765 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCN([C@@H]3CCOC3)CC2)O[C@H]1C(=O)[O-] ZINC001599874488 1017651074 /nfs/dbraw/zinc/65/10/74/1017651074.db2.gz JYIFMLYYMLSFEH-FDYHWXHSSA-N -1 0 312.366 -0.202 20 0 DBADRM C[C@@H]1C[C@H](C(=O)O[C@@]2(C)CCS(=O)(=O)C2)O[C@H]1C(=O)[O-] ZINC001599878861 1017651929 /nfs/dbraw/zinc/65/19/29/1017651929.db2.gz HDTGKBBMDMIEBS-HNBLOZHYSA-N -1 0 306.336 -0.015 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCN1CCOC1=O ZINC001599884538 1017652807 /nfs/dbraw/zinc/65/28/07/1017652807.db2.gz IXJQDJKUOIGONA-NSHDSACASA-N -1 0 306.340 -0.293 20 0 DBADRM C[C@@H]1[C@H](NS(=O)(=O)CC2(C(=O)[O-])CC2)CCS1(=O)=O ZINC001599881875 1017653109 /nfs/dbraw/zinc/65/31/09/1017653109.db2.gz BKNUOKKXVIVKNJ-HTQZYQBOSA-N -1 0 311.381 -0.654 20 0 DBADRM C[C@]1(CO)CN(C(=O)Cn2cc(C(=O)[O-])cn2)C[C@@]1(C)CO ZINC001599884510 1017653285 /nfs/dbraw/zinc/65/32/85/1017653285.db2.gz FRRRTQDKZODCNF-OKILXGFUSA-N -1 0 311.338 -0.579 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001599890699 1017653296 /nfs/dbraw/zinc/65/32/96/1017653296.db2.gz CNRKSWZQSULWIG-MRVPVSSYSA-N -1 0 317.305 -0.072 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)CCN1CCOC1=O ZINC001599878654 1017653343 /nfs/dbraw/zinc/65/33/43/1017653343.db2.gz GUPQHJZTBKBAFH-NXEZZACHSA-N -1 0 320.367 -0.047 20 0 DBADRM C[C@@H]1[C@H](O)CCCN1C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001599883542 1017653361 /nfs/dbraw/zinc/65/33/61/1017653361.db2.gz RVTQXWCIOYMZEG-GWNIPJSYSA-N -1 0 324.377 -0.073 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)C[C@H]1CCNC1=O ZINC001599892210 1017654392 /nfs/dbraw/zinc/65/43/92/1017654392.db2.gz ZMEHVDJNRHANGJ-RKDXNWHRSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@H](NC(=O)[C@H](C)N1C(=O)[C@@H]2CC(F)(F)CN2C1=O)C(=O)[O-] ZINC001599894987 1017654518 /nfs/dbraw/zinc/65/45/18/1017654518.db2.gz CRRXAZABVPPHKN-ACZMJKKPSA-N -1 0 319.264 -0.364 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N(C)C[C@@H]1COCCO1)C(=O)[O-] ZINC001599896270 1017654532 /nfs/dbraw/zinc/65/45/32/1017654532.db2.gz RPWIMISZQYYEDA-LPEHRKFASA-N -1 0 317.342 -0.979 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@]2(CCOC2)C1)C(=O)[O-] ZINC001599897595 1017656446 /nfs/dbraw/zinc/65/64/46/1017656446.db2.gz ITFSAUOWACLQOY-BHDSKKPTSA-N -1 0 313.354 -0.214 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cnn2ncccc12)C(=O)[O-] ZINC001599898435 1017656858 /nfs/dbraw/zinc/65/68/58/1017656858.db2.gz GMZZZMDTOSXGCK-YUMQZZPRSA-N -1 0 305.294 -0.563 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCC1CCOCC1)C(=O)[O-] ZINC001599898329 1017656992 /nfs/dbraw/zinc/65/69/92/1017656992.db2.gz UDIMAGRCWFSQOJ-IUCAKERBSA-N -1 0 301.343 -0.310 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H](CCO)C1CC1)C(=O)[O-] ZINC001599897019 1017657019 /nfs/dbraw/zinc/65/70/19/1017657019.db2.gz SOPFSKFMHAWCSG-OYNCUSHFSA-N -1 0 301.343 -0.576 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@H]2COC[C@H]2C1)C(=O)[O-] ZINC001599898248 1017657265 /nfs/dbraw/zinc/65/72/65/1017657265.db2.gz UEJQLRJWYXYZNB-XWLWVQCSSA-N -1 0 313.354 -0.358 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCCc1ccncc1)C(=O)[O-] ZINC001599897376 1017657279 /nfs/dbraw/zinc/65/72/79/1017657279.db2.gz DXKNSWKFFSFBFH-UWVGGRQHSA-N -1 0 308.338 -0.099 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@@H]1CC[C@@H](O)C1)C(=O)[O-] ZINC001599896961 1017657340 /nfs/dbraw/zinc/65/73/40/1017657340.db2.gz RNOZPLBLTYJFIW-AXTSPUMRSA-N -1 0 301.343 -0.576 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCCOCC1CC1)C(=O)[O-] ZINC001599897015 1017657353 /nfs/dbraw/zinc/65/73/53/1017657353.db2.gz DKASJNYTZHBDQD-IUCAKERBSA-N -1 0 301.343 -0.310 20 0 DBADRM C[C@H](O)C1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1 ZINC001599903299 1017658270 /nfs/dbraw/zinc/65/82/70/1017658270.db2.gz BZXRZGUQOCXYQE-ZETCQYMHSA-N -1 0 303.340 -0.111 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC[C@](C)(O)C1)C(=O)[O-] ZINC001599898691 1017659449 /nfs/dbraw/zinc/65/94/49/1017659449.db2.gz ZSLIUYVAIKHNSI-RVBZMBCESA-N -1 0 301.343 -0.479 20 0 DBADRM C[C@H]1CC[C@@](NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)(C(=O)[O-])CC1 ZINC001599908183 1017659563 /nfs/dbraw/zinc/65/95/63/1017659563.db2.gz OGGNOAQTJPGWAO-NZIXVDBUSA-N -1 0 313.350 -0.451 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cc(F)cc2n[nH]nc21)C(=O)[O-] ZINC001599900020 1017659714 /nfs/dbraw/zinc/65/97/14/1017659714.db2.gz USRLDPWZZXHUSY-WDSKDSINSA-N -1 0 323.284 -0.195 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC[C@@H](O)CC1)C(=O)[O-] ZINC001599898676 1017659738 /nfs/dbraw/zinc/65/97/38/1017659738.db2.gz YXBTVEICEMRZHI-LPEHRKFASA-N -1 0 301.343 -0.479 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CCS1 ZINC001599911119 1017661419 /nfs/dbraw/zinc/66/14/19/1017661419.db2.gz RFKBSULXVGZCTB-AEJSXWLSSA-N -1 0 316.379 -0.349 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001599909344 1017661591 /nfs/dbraw/zinc/66/15/91/1017661591.db2.gz XSNKVXNLXVCGDZ-FIQHERPVSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC(CC3CC3)C2)C[C@@H](C(=O)[O-])O1 ZINC001599909381 1017661664 /nfs/dbraw/zinc/66/16/64/1017661664.db2.gz NWCDLWRZKJVDKU-CABZTGNLSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@H]1CN(C(=O)CCc2ocnc2C(=O)[O-])CCS1(=O)=O ZINC001599916510 1017663272 /nfs/dbraw/zinc/66/32/72/1017663272.db2.gz MAFCSHXMWCWZOX-QMMMGPOBSA-N -1 0 316.335 -0.049 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)C[C@@H](C(=O)[O-])O1 ZINC001599914941 1017664010 /nfs/dbraw/zinc/66/40/10/1017664010.db2.gz XKVDUIOITGGIRW-UWJYBYFXSA-N -1 0 322.321 -0.386 20 0 DBADRM C[C@H]1CN(C(=O)NCC[C@]2(O)CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599920656 1017665412 /nfs/dbraw/zinc/66/54/12/1017665412.db2.gz OMZPLHOLJPWDTL-KWBADKCTSA-N -1 0 302.327 -0.589 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)O[C@H]1C(=O)[O-] ZINC001599923378 1017665858 /nfs/dbraw/zinc/66/58/58/1017665858.db2.gz AOHFRPISTWLNHX-UJPOAAIJSA-N -1 0 314.382 -0.222 20 0 DBADRM C[C@H]1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H]1C(=O)[O-] ZINC001599919867 1017666617 /nfs/dbraw/zinc/66/66/17/1017666617.db2.gz QUSCCQNPGKJSNH-IVZWLZJFSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@H]1CN(C(=S)NCCS(C)(=O)=O)C[C@]1(C)C(=O)[O-] ZINC001599927639 1017667643 /nfs/dbraw/zinc/66/76/43/1017667643.db2.gz YPZAVQCRRXISTB-KWQFWETISA-N -1 0 308.425 -0.052 20 0 DBADRM C[C@H]1OCCO[C@H]1C(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001599936549 1017668312 /nfs/dbraw/zinc/66/83/12/1017668312.db2.gz VMIPKXMOKUMFDY-CKYFFXLPSA-N -1 0 315.322 -0.201 20 0 DBADRM C[C@H]1CN(c2nnc(C[C@@H](O)C3CC3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599934505 1017668387 /nfs/dbraw/zinc/66/83/87/1017668387.db2.gz FZLCEARYLUUDFG-GDPRMGEGSA-N -1 0 310.354 -0.193 20 0 DBADRM C[C@H]1CN(C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001599929154 1017668417 /nfs/dbraw/zinc/66/84/17/1017668417.db2.gz WQEILGBVDYPUDO-TUAOUCFPSA-N -1 0 320.411 -0.168 20 0 DBADRM C[C@H]1CN(c2nnnn2C[C@@H]2CCCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599932761 1017668638 /nfs/dbraw/zinc/66/86/38/1017668638.db2.gz BQBYQOPNQSITJH-DCAQKATOSA-N -1 0 311.342 -0.222 20 0 DBADRM C[C@H]1CN(Cc2nnc(S(C)(=O)=O)s2)C[C@@H](C(=O)[O-])O1 ZINC001599931391 1017668923 /nfs/dbraw/zinc/66/89/23/1017668923.db2.gz JLWGZZMLXIZACN-BQBZGAKWSA-N -1 0 321.380 -0.385 20 0 DBADRM C[C@H]1CN(c2nnnn2CC[C@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599933265 1017669040 /nfs/dbraw/zinc/66/90/40/1017669040.db2.gz ODQNKOAJANGPBR-DCAQKATOSA-N -1 0 311.342 -0.222 20 0 DBADRM Cc1nc[nH]c1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001599967555 1017671096 /nfs/dbraw/zinc/67/10/96/1017671096.db2.gz JKFCAOUQIWAERU-NXEZZACHSA-N -1 0 306.322 -0.277 20 0 DBADRM Cc1nc[nH]c1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001599967558 1017671334 /nfs/dbraw/zinc/67/13/34/1017671334.db2.gz JKFCAOUQIWAERU-VHSXEESVSA-N -1 0 306.322 -0.277 20 0 DBADRM C[C@H]1OCCO[C@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599936604 1017671543 /nfs/dbraw/zinc/67/15/43/1017671543.db2.gz YFIMASLURRXIEX-CKYFFXLPSA-N -1 0 324.337 -0.056 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599941859 1017671667 /nfs/dbraw/zinc/67/16/67/1017671667.db2.gz WWGXOOANJJEDTM-RQJHMYQMSA-N -1 0 313.335 -0.313 20 0 DBADRM Cc1[nH]c(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])c(C)c1C=O ZINC001599952789 1017671876 /nfs/dbraw/zinc/67/18/76/1017671876.db2.gz NAXWYAOQURMTOR-JTQLQIEISA-N -1 0 305.294 -0.081 20 0 DBADRM C[C@@]12COC[C@]1(C)CN(C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-])C2 ZINC001599939341 1017672465 /nfs/dbraw/zinc/67/24/65/1017672465.db2.gz NRROHFJAWJLEPA-IDMWTJEOSA-N -1 0 310.350 -0.292 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001599969350 1017673438 /nfs/dbraw/zinc/67/34/38/1017673438.db2.gz GXYWFAJHZFQGET-LLVKDONJSA-N -1 0 313.339 -0.264 20 0 DBADRM Cc1c(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cnn1C ZINC001599975952 1017673525 /nfs/dbraw/zinc/67/35/25/1017673525.db2.gz ZTNPZXCZXSZZRU-QWRGUYRKSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1c(C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nnn1C ZINC001599980200 1017673693 /nfs/dbraw/zinc/67/36/93/1017673693.db2.gz PCBAYBSHBBTYCJ-BDAKNGLRSA-N -1 0 321.337 -0.777 20 0 DBADRM Cc1c(C(=O)N[C@](C)(CO)C(=O)[O-])nnn1Cc1ccncc1 ZINC001599979243 1017673955 /nfs/dbraw/zinc/67/39/55/1017673955.db2.gz VWOWZJRNOJGNHG-CQSZACIVSA-N -1 0 319.321 -0.405 20 0 DBADRM Cc1c(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nnn1C ZINC001599979712 1017674306 /nfs/dbraw/zinc/67/43/06/1017674306.db2.gz GETCFLPIJVAAEN-HWKXXFMVSA-N -1 0 321.337 -0.754 20 0 DBADRM Cc1c(C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nnn1C ZINC001599980202 1017674624 /nfs/dbraw/zinc/67/46/24/1017674624.db2.gz PCBAYBSHBBTYCJ-DTWKUNHWSA-N -1 0 321.337 -0.777 20 0 DBADRM Cc1n[nH]cc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C[C@H]21 ZINC001599969447 1017674772 /nfs/dbraw/zinc/67/47/72/1017674772.db2.gz WGLPIMYGAYWSNB-HINXJTCJSA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1nc[nH]c1CC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001599968260 1017674892 /nfs/dbraw/zinc/67/48/92/1017674892.db2.gz ODDQQIRPTCRKER-GHMZBOCLSA-N -1 0 320.349 -0.349 20 0 DBADRM Cc1c(C(=O)N[C@H](C(=O)[O-])C2CC2)nnn1-c1ccn(C)n1 ZINC001599978415 1017675122 /nfs/dbraw/zinc/67/51/22/1017675122.db2.gz GYYAMQFFQWNIDE-NSHDSACASA-N -1 0 304.310 -0.098 20 0 DBADRM Cc1c(C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)nnn1C ZINC001599977784 1017675148 /nfs/dbraw/zinc/67/51/48/1017675148.db2.gz YNSUYXGJCUFVSY-VIFPVBQESA-N -1 0 319.325 -0.109 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)[C@H]2CN(C)C(=O)CN2)n1C ZINC001599989078 1017676385 /nfs/dbraw/zinc/67/63/85/1017676385.db2.gz MSVXFSKFNQIJKK-LLVKDONJSA-N -1 0 308.338 -0.922 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)C(=O)N2CCOCC2)n1C ZINC001599987017 1017676390 /nfs/dbraw/zinc/67/63/90/1017676390.db2.gz GITGSULANUNRMM-UHFFFAOYSA-N -1 0 309.322 -0.493 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)NC[C@@]2(O)CCOC2)n1C ZINC001599988378 1017676867 /nfs/dbraw/zinc/67/68/67/1017676867.db2.gz FHWMLWCHRGKIFT-AWEZNQCLSA-N -1 0 311.338 -0.018 20 0 DBADRM Cc1c(C(=O)NCCN(C)c2ccnc(C(=O)[O-])n2)nnn1C ZINC001599980864 1017676889 /nfs/dbraw/zinc/67/68/89/1017676889.db2.gz WJRZTIPZSNZANX-UHFFFAOYSA-N -1 0 319.325 -0.522 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)CN2CCNC(=O)C2)n1C ZINC001599990715 1017676897 /nfs/dbraw/zinc/67/68/97/1017676897.db2.gz GZKIZJNFZWGUSH-UHFFFAOYSA-N -1 0 308.338 -0.920 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)C[C@H]2CC(=O)NC2=O)n1C ZINC001599991917 1017676903 /nfs/dbraw/zinc/67/69/03/1017676903.db2.gz ZDFRUDYMUAMVNR-QMMMGPOBSA-N -1 0 307.306 -0.299 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC[C@H](C)[C@H]2CO)cnn1CC(=O)[O-] ZINC001600025889 1017678077 /nfs/dbraw/zinc/67/80/77/1017678077.db2.gz JOLUTUWOVBBSJF-GZMMTYOYSA-N -1 0 324.337 -0.556 20 0 DBADRM Cc1c(CCC(=O)N[C@@H](CC2OCCO2)C(=O)[O-])cnn1C ZINC001600011187 1017678511 /nfs/dbraw/zinc/67/85/11/1017678511.db2.gz GKOQWZFOBLKPGF-NSHDSACASA-N -1 0 311.338 -0.006 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@@H](C)OC[C@@H]2C)cnn1CC(=O)[O-] ZINC001600026068 1017678680 /nfs/dbraw/zinc/67/86/80/1017678680.db2.gz ZOJRELNJFAPZFQ-DTWKUNHWSA-N -1 0 324.337 -0.150 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CC(=O)N[C@H](C)C2)cccc1C(=O)[O-] ZINC001600025066 1017678948 /nfs/dbraw/zinc/67/89/48/1017678948.db2.gz RHLGYSCVMFRFJX-MRVPVSSYSA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1c(NC(=O)C(=O)N(C)CC(C)(C)O)cnn1CC(=O)[O-] ZINC001600023296 1017678988 /nfs/dbraw/zinc/67/89/88/1017678988.db2.gz ITIGGYBKUHCOFD-UHFFFAOYSA-N -1 0 312.326 -0.556 20 0 DBADRM Cc1c(NC(=O)[C@@H](C)N2C(=O)CCC2=O)cnn1CC(=O)[O-] ZINC001600030945 1017679801 /nfs/dbraw/zinc/67/98/01/1017679801.db2.gz OHWKOIFQTPTQGQ-MRVPVSSYSA-N -1 0 308.294 -0.248 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@H]2CCOC[C@@H]2C)cnn1CC(=O)[O-] ZINC001600029198 1017679834 /nfs/dbraw/zinc/67/98/34/1017679834.db2.gz YWSCCVLFNLLAJT-WPRPVWTQSA-N -1 0 324.337 -0.244 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@H]2CNC(=O)C2)cccc1C(=O)[O-] ZINC001600028433 1017680138 /nfs/dbraw/zinc/68/01/38/1017680138.db2.gz OKYYKWZKOOOZSK-MRVPVSSYSA-N -1 0 305.290 -0.364 20 0 DBADRM Cc1c(NC(=O)[C@H](C)NS(C)(=O)=O)cnn1CC(=O)[O-] ZINC001600030961 1017680452 /nfs/dbraw/zinc/68/04/52/1017680452.db2.gz OLDLFQKKIKQWAG-LURJTMIESA-N -1 0 304.328 -0.848 20 0 DBADRM Cc1cc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])n(C)n1 ZINC001600078131 1017681396 /nfs/dbraw/zinc/68/13/96/1017681396.db2.gz FKRVRXFGHSNFJU-GHMZBOCLSA-N -1 0 322.365 -0.020 20 0 DBADRM Cc1c[nH]c(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600060470 1017681437 /nfs/dbraw/zinc/68/14/37/1017681437.db2.gz KDFZXURHUIOMHV-NXEZZACHSA-N -1 0 306.322 -0.278 20 0 DBADRM Cc1cc(=O)c(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)c[nH]1 ZINC001600066157 1017681512 /nfs/dbraw/zinc/68/15/12/1017681512.db2.gz ZUEBOVSTRPFZAW-NSHDSACASA-N -1 0 308.290 -0.084 20 0 DBADRM Cc1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)on1 ZINC001600077002 1017681706 /nfs/dbraw/zinc/68/17/06/1017681706.db2.gz DZFZJRVOFKDQFN-ZJUUUORDSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600060972 1017681858 /nfs/dbraw/zinc/68/18/58/1017681858.db2.gz SGTUJKSRFBDAKU-JXUBOQSCSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1cc(=O)c(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cn1C ZINC001600067148 1017682156 /nfs/dbraw/zinc/68/21/56/1017682156.db2.gz PCCVIHLBDHGPMU-GFCCVEGCSA-N -1 0 304.306 -0.017 20 0 DBADRM Cc1cc(-n2cncn2)ccc1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600064608 1017682318 /nfs/dbraw/zinc/68/23/18/1017682318.db2.gz WIFMQVYIKXPDMB-UHFFFAOYSA-N -1 0 302.290 -0.153 20 0 DBADRM Cc1cc(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)no1 ZINC001600077289 1017682435 /nfs/dbraw/zinc/68/24/35/1017682435.db2.gz KAXMOOKOKAJVIJ-VHSXEESVSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1c[nH]c(C(=O)NCC=CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600060496 1017682505 /nfs/dbraw/zinc/68/25/05/1017682505.db2.gz LACNCDFLTIFXSO-NBYFHADBSA-N -1 0 306.322 -0.159 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)ncc1C(N)=O ZINC001600092238 1017683642 /nfs/dbraw/zinc/68/36/42/1017683642.db2.gz PGGXGXVIGAXAQU-GXSJLCMTSA-N -1 0 321.333 -0.044 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])ns1 ZINC001600084094 1017684015 /nfs/dbraw/zinc/68/40/15/1017684015.db2.gz XHHPIMJSDSHDGI-QMMMGPOBSA-N -1 0 304.349 -0.225 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](CO)Nc2ncc(C(=O)[O-])cn2)on1 ZINC001600091572 1017684045 /nfs/dbraw/zinc/68/40/45/1017684045.db2.gz BMFCHCKXIUYJDG-VIFPVBQESA-N -1 0 321.293 -0.326 20 0 DBADRM Cc1cc(C(=O)NCCN(CCO)C(=O)[C@H]2C[C@@H]2C(=O)[O-])co1 ZINC001600092655 1017684174 /nfs/dbraw/zinc/68/41/74/1017684174.db2.gz VPTAAGMATPOQJU-RYUDHWBXSA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1cc(C(=O)N[C@@](C)(CO)C(=O)[O-])ccc1-n1cnnn1 ZINC001600086610 1017684286 /nfs/dbraw/zinc/68/42/86/1017684286.db2.gz IRBLPJRSROUBOF-ZDUSSCGKSA-N -1 0 305.294 -0.464 20 0 DBADRM Cc1cc(C(=O)NCCCN2C(=O)CNC2=O)oc1C(=O)[O-] ZINC001600092139 1017684437 /nfs/dbraw/zinc/68/44/37/1017684437.db2.gz AQTVSOOVMHQOQE-UHFFFAOYSA-N -1 0 309.278 -0.042 20 0 DBADRM Cc1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)ncn1 ZINC001600093391 1017684524 /nfs/dbraw/zinc/68/45/24/1017684524.db2.gz ZEZQVONLPXCCGZ-ZJUUUORDSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC001600119376 1017685281 /nfs/dbraw/zinc/68/52/81/1017685281.db2.gz OJECJWMDVFILMX-UHFFFAOYSA-N -1 0 319.317 -0.068 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@@H]1CCCN(CC(N)=O)C1 ZINC001600131116 1017685633 /nfs/dbraw/zinc/68/56/33/1017685633.db2.gz KJZTWNBQBVZOQI-SECBINFHSA-N -1 0 309.322 -0.034 20 0 DBADRM Cc1cc(C(=O)[O-])c(NC(=O)C(=O)NCCOCCO)s1 ZINC001600102435 1017685775 /nfs/dbraw/zinc/68/57/75/1017685775.db2.gz JQGHFEOUJCPGJM-UHFFFAOYSA-N -1 0 316.335 -0.182 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)NCCNS(=O)(=O)N(C)C ZINC001600132402 1017685888 /nfs/dbraw/zinc/68/58/88/1017685888.db2.gz BBKXZXMZEGGCQR-UHFFFAOYSA-N -1 0 319.339 -0.588 20 0 DBADRM Cc1cc(CC(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n[nH]1 ZINC001600187548 1017686878 /nfs/dbraw/zinc/68/68/78/1017686878.db2.gz NSXHLZVLMWKCTB-WDEREUQCSA-N -1 0 320.349 -0.254 20 0 DBADRM Cc1cc(C2(C(=O)NCCNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)on1 ZINC001600183008 1017687609 /nfs/dbraw/zinc/68/76/09/1017687609.db2.gz SHLXYMZIGKOHCZ-ZJUUUORDSA-N -1 0 321.333 -0.032 20 0 DBADRM Cc1cc(CC(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001600187531 1017687666 /nfs/dbraw/zinc/68/76/66/1017687666.db2.gz MWMJNVXRDYWQHR-QWRGUYRKSA-N -1 0 306.322 -0.692 20 0 DBADRM Cc1cc(C)n(CCN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001600180317 1017687718 /nfs/dbraw/zinc/68/77/18/1017687718.db2.gz LKYUNQJYDXJNGT-LLVKDONJSA-N -1 0 301.368 -0.316 20 0 DBADRM Cc1cc(CC(=O)NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n[nH]1 ZINC001600187547 1017687922 /nfs/dbraw/zinc/68/79/22/1017687922.db2.gz NSXHLZVLMWKCTB-QWRGUYRKSA-N -1 0 320.349 -0.254 20 0 DBADRM Cc1cc(C)n([C@@H](C)C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC001600177814 1017688008 /nfs/dbraw/zinc/68/80/08/1017688008.db2.gz NQSDACOKJGCZDB-QWRGUYRKSA-N -1 0 308.338 -0.137 20 0 DBADRM Cc1cc(C)cc([C@@H](NC(=O)CN2CCNC(=O)C2)C(=O)[O-])c1 ZINC001600171879 1017688095 /nfs/dbraw/zinc/68/80/95/1017688095.db2.gz LAFGESZWSVDPQO-OAHLLOKOSA-N -1 0 319.361 -0.023 20 0 DBADRM Cc1cc(N(C)CCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nc(CO)n1 ZINC001600235639 1017689100 /nfs/dbraw/zinc/68/91/00/1017689100.db2.gz HCKJEMULQHMHJY-MNOVXSKESA-N -1 0 322.365 -0.059 20 0 DBADRM Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)[nH]n1 ZINC001600189972 1017689319 /nfs/dbraw/zinc/68/93/19/1017689319.db2.gz WNGUWUCTUDFVRU-KWQFWETISA-N -1 0 324.337 -0.923 20 0 DBADRM Cc1cc(CNC(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)no1 ZINC001600197491 1017689506 /nfs/dbraw/zinc/68/95/06/1017689506.db2.gz QUKQZHPVMIRBHF-UHFFFAOYSA-N -1 0 321.293 -0.173 20 0 DBADRM Cc1cc(CN2CCN(CN3C[C@@H](C(=O)[O-])CC3=O)CC2)on1 ZINC001600195428 1017690258 /nfs/dbraw/zinc/69/02/58/1017690258.db2.gz LYULGKOZGIIYLX-LBPRGKRZSA-N -1 0 322.365 -0.009 20 0 DBADRM Cc1cc(N(C)CCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])nc(CO)n1 ZINC001600235641 1017690411 /nfs/dbraw/zinc/69/04/11/1017690411.db2.gz HCKJEMULQHMHJY-WDEREUQCSA-N -1 0 322.365 -0.059 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)nn1C ZINC001600245112 1017691299 /nfs/dbraw/zinc/69/12/99/1017691299.db2.gz IXKOTXWOHCMHHY-SECBINFHSA-N -1 0 310.310 -0.631 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)c(=O)n(C)c1 ZINC001600245996 1017691327 /nfs/dbraw/zinc/69/13/27/1017691327.db2.gz CBEDHUTWUNLBKT-JTQLQIEISA-N -1 0 319.317 -0.078 20 0 DBADRM Cc1cc(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)nc(CO)n1 ZINC001600240679 1017691347 /nfs/dbraw/zinc/69/13/47/1017691347.db2.gz VBQUCMVAKGZOJA-QWRGUYRKSA-N -1 0 320.349 -0.353 20 0 DBADRM Cc1cc(N2CC[C@H](Nc3ccnc(C(=O)[O-])n3)C2=O)n(C)n1 ZINC001600239529 1017691502 /nfs/dbraw/zinc/69/15/02/1017691502.db2.gz XPXKNCZWRWLICX-VIFPVBQESA-N -1 0 316.321 -0.144 20 0 DBADRM Cc1cc(N2CCN(C)C(=O)[C@H]2C)n2nc(C(=O)[O-])nc2n1 ZINC001600240479 1017691689 /nfs/dbraw/zinc/69/16/89/1017691689.db2.gz MNTVVJZHLWKHDW-MRVPVSSYSA-N -1 0 304.310 -0.202 20 0 DBADRM Cc1cc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nc(CO)n1 ZINC001600240680 1017691714 /nfs/dbraw/zinc/69/17/14/1017691714.db2.gz VBQUCMVAKGZOJA-WDEREUQCSA-N -1 0 320.349 -0.353 20 0 DBADRM Cc1cc(N2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)cn(C)c1=O ZINC001600237130 1017691724 /nfs/dbraw/zinc/69/17/24/1017691724.db2.gz LJSMIODJMBNEAW-BBBLOLIVSA-N -1 0 305.290 -0.161 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)ccc1N ZINC001600242711 1017691755 /nfs/dbraw/zinc/69/17/55/1017691755.db2.gz CQFMKXFPSJMCLD-UHFFFAOYSA-N -1 0 321.333 -0.046 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)ccc1C(=O)[O-] ZINC001600246750 1017691772 /nfs/dbraw/zinc/69/17/72/1017691772.db2.gz DGKGXJLABGHMTP-VIFPVBQESA-N -1 0 305.290 -0.364 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H]2CCCCNC2=O)c(C(=O)[O-])[nH]1 ZINC001600246917 1017691821 /nfs/dbraw/zinc/69/18/21/1017691821.db2.gz GOMFZCLLVSJMCX-MRVPVSSYSA-N -1 0 322.321 -0.255 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)ccc1C(=O)[O-] ZINC001600244199 1017692025 /nfs/dbraw/zinc/69/20/25/1017692025.db2.gz AICSDVZCYKSSLB-WDEREUQCSA-N -1 0 322.317 -0.414 20 0 DBADRM Cc1cc(N2CCOC[C@H]2CC(=O)[O-])nc(S(C)(=O)=O)n1 ZINC001600242608 1017692037 /nfs/dbraw/zinc/69/20/37/1017692037.db2.gz YNDPDQNMVHEFDJ-SECBINFHSA-N -1 0 315.351 -0.132 20 0 DBADRM Cc1cc(N2CCN3C(=O)NC[C@@H]3C2)n2nc(C(=O)[O-])nc2n1 ZINC001600240900 1017692065 /nfs/dbraw/zinc/69/20/65/1017692065.db2.gz AWIQRRIFMCGOQE-MRVPVSSYSA-N -1 0 317.309 -0.655 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)[C@H]2CCNC2=O)ccc1C(=O)[O-] ZINC001600243228 1017692241 /nfs/dbraw/zinc/69/22/41/1017692241.db2.gz GKFZKMIWMHFXOC-NSHDSACASA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1cc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)nc(C)c1C(=O)[O-] ZINC001600273209 1017693543 /nfs/dbraw/zinc/69/35/43/1017693543.db2.gz ZPILJQPYPDLXAT-ZETCQYMHSA-N -1 0 306.278 -0.067 20 0 DBADRM Cc1cc(=O)[nH]c(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001600286929 1017694254 /nfs/dbraw/zinc/69/42/54/1017694254.db2.gz RKNRKSHRFDDRDE-HNNXBMFYSA-N -1 0 322.365 -0.148 20 0 DBADRM Cc1cc(=O)[nH]c(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])n1 ZINC001600286514 1017694648 /nfs/dbraw/zinc/69/46/48/1017694648.db2.gz LVWGXXVOPVIBSX-SECBINFHSA-N -1 0 315.351 -0.436 20 0 DBADRM Cc1cc(S(=O)(=O)N2C[C@H](O)C[C@@]2(C)CO)oc1C(=O)[O-] ZINC001600295341 1017695615 /nfs/dbraw/zinc/69/56/15/1017695615.db2.gz JMRYIXLBSIHURB-PELKAZGASA-N -1 0 319.335 -0.207 20 0 DBADRM Cc1cc(S(=O)(=O)N2C[C@H](O)[C@H](CO)C2)oc1C(=O)[O-] ZINC001600293217 1017695713 /nfs/dbraw/zinc/69/57/13/1017695713.db2.gz JSKQZFXQERGJCX-YUMQZZPRSA-N -1 0 305.308 -0.740 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])sn1 ZINC001600295221 1017695751 /nfs/dbraw/zinc/69/57/51/1017695751.db2.gz SAHYFFDLATVTHI-ZETCQYMHSA-N -1 0 319.364 -0.585 20 0 DBADRM Cc1cc2c(cc1S(=O)(=O)NC[C@H](O)CC(=O)[O-])OCO2 ZINC001600307102 1017695996 /nfs/dbraw/zinc/69/59/96/1017695996.db2.gz MKSZPAPRJLJZQD-MRVPVSSYSA-N -1 0 317.319 -0.162 20 0 DBADRM Cc1cc(S(=O)(=O)NC[C@@H]2COCCN2)ccc1C(=O)[O-] ZINC001600298317 1017696057 /nfs/dbraw/zinc/69/60/57/1017696057.db2.gz AOIOUPFNGZIYGQ-SNVBAGLBSA-N -1 0 314.363 -0.040 20 0 DBADRM Cc1cc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cnc1N ZINC001600294962 1017696453 /nfs/dbraw/zinc/69/64/53/1017696453.db2.gz BTMLUYMOJWAVMX-IUCAKERBSA-N -1 0 315.351 -0.572 20 0 DBADRM Cc1ccc(C(=O)NC[C@@H](O)CNc2ccnc(C(=O)[O-])n2)o1 ZINC001600338876 1017697194 /nfs/dbraw/zinc/69/71/94/1017697194.db2.gz UKNYVRKFRKKGHE-VIFPVBQESA-N -1 0 320.305 -0.299 20 0 DBADRM Cc1ccc([C@H](CNC(=O)Cn2ncn(C)c2=O)C(=O)[O-])cc1 ZINC001600376043 1017697455 /nfs/dbraw/zinc/69/74/55/1017697455.db2.gz GIWFIZMJJIOTRZ-LBPRGKRZSA-N -1 0 318.333 -0.125 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)cc1C(=O)[O-] ZINC001600440060 1017699732 /nfs/dbraw/zinc/69/97/32/1017699732.db2.gz NWCKPYPJJXSPIA-WDEREUQCSA-N -1 0 322.317 -0.414 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NN2CC(=O)NC2=O)c(C(=O)[O-])c1 ZINC001600441615 1017699787 /nfs/dbraw/zinc/69/97/87/1017699787.db2.gz JIUCLVQHFUMPNZ-UHFFFAOYSA-N -1 0 320.261 -0.785 20 0 DBADRM Cc1ccc2c(c1)N(C(=O)C(=O)N1CC(O)(C(=O)[O-])C1)CC2 ZINC001600495745 1017699846 /nfs/dbraw/zinc/69/98/46/1017699846.db2.gz SERKFMHFJHYCPY-UHFFFAOYSA-N -1 0 304.302 -0.458 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001600477497 1017699883 /nfs/dbraw/zinc/69/98/83/1017699883.db2.gz TUEIMRARUPLMEA-GHMZBOCLSA-N -1 0 300.336 -0.011 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCN(C)CCO)c(C(=O)[O-])c1 ZINC001600480520 1017700011 /nfs/dbraw/zinc/70/00/11/1017700011.db2.gz PNMQCHFCGNVYGP-UHFFFAOYSA-N -1 0 316.379 -0.104 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CC(=O)N(C)C2)c(C(=O)[O-])c1 ZINC001600439627 1017700153 /nfs/dbraw/zinc/70/01/53/1017700153.db2.gz USMOKGNVQHTZCJ-UHFFFAOYSA-N -1 0 305.290 -0.110 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c(=O)[nH]1 ZINC001600438856 1017700328 /nfs/dbraw/zinc/70/03/28/1017700328.db2.gz GIPBDCUERLSBRC-NXEZZACHSA-N -1 0 323.305 -0.529 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001600594979 1017700987 /nfs/dbraw/zinc/70/09/87/1017700987.db2.gz XXWIOSOZRAISQY-NXEZZACHSA-N -1 0 321.333 -0.189 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@@H](CCF)C(=O)[O-] ZINC001600509626 1017701014 /nfs/dbraw/zinc/70/10/14/1017701014.db2.gz FFKHRFRCUFEOAJ-IINYFYTJSA-N -1 0 314.313 -0.163 20 0 DBADRM Cc1ccccc1C1=NO[C@H](C(=O)NCC(=O)NCC(=O)[O-])C1 ZINC001600575509 1017701789 /nfs/dbraw/zinc/70/17/89/1017701789.db2.gz KNFHNHFQCNDGHX-LBPRGKRZSA-N -1 0 319.317 -0.195 20 0 DBADRM Cc1ccccc1C[C@@H](C)NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600576972 1017701947 /nfs/dbraw/zinc/70/19/47/1017701947.db2.gz MGSRSKGCTDEZLP-LLVKDONJSA-N -1 0 320.345 -0.300 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCC1(C(=O)[O-])CC1 ZINC001600594564 1017702276 /nfs/dbraw/zinc/70/22/76/1017702276.db2.gz FKAOACNOCXQSLV-UHFFFAOYSA-N -1 0 307.306 -0.387 20 0 DBADRM Cc1ccnn1CC(=O)NCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001600606065 1017702799 /nfs/dbraw/zinc/70/27/99/1017702799.db2.gz JTZAZFABAVYZNK-UHFFFAOYSA-N -1 0 318.337 -0.068 20 0 DBADRM Cc1ccnc2nc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])nn21 ZINC001600603249 1017702842 /nfs/dbraw/zinc/70/28/42/1017702842.db2.gz FLIKYGYICCDZLJ-YUMQZZPRSA-N -1 0 320.309 -0.860 20 0 DBADRM Cc1cn(C)c(=O)n(CC(=O)N2CCC(C(=O)[O-])CC2)c1=O ZINC001600611531 1017703037 /nfs/dbraw/zinc/70/30/37/1017703037.db2.gz MRXATZAUMQVWAN-UHFFFAOYSA-N -1 0 309.322 -0.821 20 0 DBADRM Cc1ccn2ncc(C(=O)N3CC(=O)N(C)C[C@H]3C(=O)[O-])c2n1 ZINC001600596424 1017703129 /nfs/dbraw/zinc/70/31/29/1017703129.db2.gz LPJKLPSRIGOGOT-JTQLQIEISA-N -1 0 317.305 -0.595 20 0 DBADRM Cc1ccnc(Cn2cnc3c(cnn3CC(=O)[O-])c2=O)n1 ZINC001600601143 1017703228 /nfs/dbraw/zinc/70/32/28/1017703228.db2.gz CJVRIIKXYXDOIJ-UHFFFAOYSA-N -1 0 300.278 -0.176 20 0 DBADRM Cc1cn(C(C)(C)C(=O)N[C@H](Cn2cncn2)C(=O)[O-])cn1 ZINC001600611513 1017703243 /nfs/dbraw/zinc/70/32/43/1017703243.db2.gz LHUFVWPRUDKAOL-SNVBAGLBSA-N -1 0 306.326 -0.212 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(=O)c1 ZINC001600597664 1017703695 /nfs/dbraw/zinc/70/36/95/1017703695.db2.gz FWCDSFXMYGNVCT-PGUXBMHVSA-N -1 0 308.334 -0.113 20 0 DBADRM Cc1cn(C)nc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600611765 1017703840 /nfs/dbraw/zinc/70/38/40/1017703840.db2.gz RKAWHXNQPOVTFS-GHMZBOCLSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)NCC2(C(=O)[O-])CC2)c(=O)c1 ZINC001600598297 1017703895 /nfs/dbraw/zinc/70/38/95/1017703895.db2.gz MHJNMUCEAMIZPU-AWEZNQCLSA-N -1 0 308.334 -0.111 20 0 DBADRM Cc1cn(C)nc1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600611778 1017703945 /nfs/dbraw/zinc/70/39/45/1017703945.db2.gz RKAWHXNQPOVTFS-WDEREUQCSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cn(C)nc1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600611775 1017704229 /nfs/dbraw/zinc/70/42/29/1017704229.db2.gz RKAWHXNQPOVTFS-QWRGUYRKSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1 ZINC001600624406 1017704826 /nfs/dbraw/zinc/70/48/26/1017704826.db2.gz YQFLEFFAHUTXAO-PSASIEDQSA-N -1 0 315.351 -0.429 20 0 DBADRM Cc1cn(C)nc1CN1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001600612924 1017705133 /nfs/dbraw/zinc/70/51/33/1017705133.db2.gz WKDRNOMBEIOFNY-ONGXEEELSA-N -1 0 321.337 -0.692 20 0 DBADRM Cc1cn2nnc(C(=O)N3CCSC[C@@H]3C(=O)[O-])c2c(=O)[nH]1 ZINC001600615627 1017705575 /nfs/dbraw/zinc/70/55/75/1017705575.db2.gz YVYLOCGDDWFKTF-SSDOTTSWSA-N -1 0 323.334 -0.219 20 0 DBADRM Cc1cn2c(n1)CN(C(=O)NCCn1cc(C(=O)[O-])nn1)CC2 ZINC001600615142 1017705715 /nfs/dbraw/zinc/70/57/15/1017705715.db2.gz PUWRYRGCMUNIKW-UHFFFAOYSA-N -1 0 319.325 -0.293 20 0 DBADRM Cc1cn2nc(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])cc2c(=O)[nH]1 ZINC001600615200 1017705818 /nfs/dbraw/zinc/70/58/18/1017705818.db2.gz PSOMMOVGKRRHDW-OIBJUYFYSA-N -1 0 306.278 -0.697 20 0 DBADRM Cc1cn2nc(C(=O)N[C@@]3(C(=O)[O-])C[C@@H](O)C3)cc2c(=O)[nH]1 ZINC001600615214 1017705990 /nfs/dbraw/zinc/70/59/90/1017705990.db2.gz QIQHCKYZEOVLHX-PPRHIFSWSA-N -1 0 306.278 -0.961 20 0 DBADRM Cc1cn2nc(C(=O)N3CC[C@](F)(C(=O)[O-])C3)cc2c(=O)[nH]1 ZINC001600614319 1017706170 /nfs/dbraw/zinc/70/61/70/1017706170.db2.gz DBGVEQXJFDDSNH-CYBMUJFWSA-N -1 0 308.269 -0.030 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600635950 1017707021 /nfs/dbraw/zinc/70/70/21/1017707021.db2.gz YOWAZXLAHLIKDN-ZJUUUORDSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600635822 1017707403 /nfs/dbraw/zinc/70/74/03/1017707403.db2.gz YOWAZXLAHLIKDN-UWVGGRQHSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1cnn(C)c1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600635093 1017707505 /nfs/dbraw/zinc/70/75/05/1017707505.db2.gz DRXQOLSHFNBINI-GHMZBOCLSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1cnn(CC(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])c1 ZINC001600636437 1017707569 /nfs/dbraw/zinc/70/75/69/1017707569.db2.gz CSHULVYSTSHHMR-UHFFFAOYSA-N -1 0 309.282 -0.377 20 0 DBADRM Cc1conc1C(=O)NC[C@@H](CO)Nc1ncc(C(=O)[O-])cn1 ZINC001600644224 1017708709 /nfs/dbraw/zinc/70/87/09/1017708709.db2.gz UHFQDLSCGUDQNM-VIFPVBQESA-N -1 0 321.293 -0.326 20 0 DBADRM Cc1cnoc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600637095 1017708720 /nfs/dbraw/zinc/70/87/20/1017708720.db2.gz BUUDZIKNHSPJRL-ZJUUUORDSA-N -1 0 307.306 -0.012 20 0 DBADRM Cc1conc1C(=O)NC[C@H](CO)Nc1ncc(C(=O)[O-])cn1 ZINC001600644223 1017708744 /nfs/dbraw/zinc/70/87/44/1017708744.db2.gz UHFQDLSCGUDQNM-SECBINFHSA-N -1 0 321.293 -0.326 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC001600643732 1017709173 /nfs/dbraw/zinc/70/91/73/1017709173.db2.gz RDEIWRIRAHUZNK-DTWKUNHWSA-N -1 0 310.306 -0.022 20 0 DBADRM Cc1cnoc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600637306 1017709281 /nfs/dbraw/zinc/70/92/81/1017709281.db2.gz IGFSPBKYLLZMCI-OGBGREFGSA-N -1 0 319.317 -0.110 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001600640887 1017709489 /nfs/dbraw/zinc/70/94/89/1017709489.db2.gz BYMDJEWESHBJFW-OCAPTIKFSA-N -1 0 306.274 -0.440 20 0 DBADRM Cc1conc1CS(=O)(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001600645025 1017709793 /nfs/dbraw/zinc/70/97/93/1017709793.db2.gz PSOINJVCIODEIY-UHFFFAOYSA-N -1 0 304.324 -0.372 20 0 DBADRM Cc1conc1NC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001600645533 1017709828 /nfs/dbraw/zinc/70/98/28/1017709828.db2.gz SCFMWXMLDVZXGB-JTQLQIEISA-N -1 0 324.337 -0.071 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001600640960 1017710116 /nfs/dbraw/zinc/71/01/16/1017710116.db2.gz FVXJLQBYILLIIV-DTORHVGOSA-N -1 0 320.301 -0.098 20 0 DBADRM Cc1csc2ncc(C(=O)NC[C@@H](O)CC(=O)[O-])c(=O)n12 ZINC001600664959 1017710825 /nfs/dbraw/zinc/71/08/25/1017710825.db2.gz BNAQKMZSACYAQL-ZETCQYMHSA-N -1 0 311.319 -0.370 20 0 DBADRM Cc1n[nH]c(C)c1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600667096 1017711031 /nfs/dbraw/zinc/71/10/31/1017711031.db2.gz RILYQTHQZCLMNJ-VHSXEESVSA-N -1 0 306.322 -0.312 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCC(=O)N(C)CC2)c1C(=O)[O-] ZINC001600670610 1017711127 /nfs/dbraw/zinc/71/11/27/1017711127.db2.gz WSXLGEREPLRXCR-UHFFFAOYSA-N -1 0 316.339 -0.731 20 0 DBADRM Cc1n[nH]c(C)c1[C@H]1COCCN1CC(=O)NCCC(=O)[O-] ZINC001600668938 1017711254 /nfs/dbraw/zinc/71/12/54/1017711254.db2.gz WWYJLPGZLWVWGK-LLVKDONJSA-N -1 0 310.354 -0.009 20 0 DBADRM Cc1nnc(CC(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]1 ZINC001600670877 1017712443 /nfs/dbraw/zinc/71/24/43/1017712443.db2.gz AQYKANNDJGMBIU-ZJUUUORDSA-N -1 0 321.337 -0.954 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCNC(=O)C(C)C)c1C(=O)[O-] ZINC001600673253 1017713269 /nfs/dbraw/zinc/71/32/69/1017713269.db2.gz DDYRHEKWIQJAIG-UHFFFAOYSA-N -1 0 318.355 -0.533 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@@H]2CC[C@@H](O)C2)c1C(=O)[O-] ZINC001600673569 1017714012 /nfs/dbraw/zinc/71/40/12/1017714012.db2.gz KELIDSHDOHJMGC-HTQZYQBOSA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCCOCCO)c1C(=O)[O-] ZINC001600673733 1017714328 /nfs/dbraw/zinc/71/43/28/1017714328.db2.gz MPCDVRWHYLGDAV-UHFFFAOYSA-N -1 0 307.328 -0.906 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c1C(=O)[O-] ZINC001600672627 1017714539 /nfs/dbraw/zinc/71/45/39/1017714539.db2.gz INMUMJOYMGCSBN-LUGKMBOVSA-N -1 0 319.364 -0.690 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@@H]2CC[C@H](O)C2)c1C(=O)[O-] ZINC001600673571 1017715128 /nfs/dbraw/zinc/71/51/28/1017715128.db2.gz KELIDSHDOHJMGC-SFYZADRCSA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1nnc(CC(=O)NCc2c(C)nn(CC(=O)[O-])c2C)[nH]1 ZINC001600671571 1017715461 /nfs/dbraw/zinc/71/54/61/1017715461.db2.gz NQCGBUVQVDJCFI-UHFFFAOYSA-N -1 0 306.326 -0.130 20 0 DBADRM Cc1nc(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)co1 ZINC001600683526 1017715924 /nfs/dbraw/zinc/71/59/24/1017715924.db2.gz QFVVFEPNOFTQFJ-VHSXEESVSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1n[nH]nc1C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600675939 1017715991 /nfs/dbraw/zinc/71/59/91/1017715991.db2.gz XZLAKFWPIYKZOM-NXEZZACHSA-N -1 0 321.337 -0.445 20 0 DBADRM Cc1nc(C)c(C(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])nc1C ZINC001600690577 1017716483 /nfs/dbraw/zinc/71/64/83/1017716483.db2.gz MPFWPJVIJCRXHR-QWRGUYRKSA-N -1 0 320.349 -0.031 20 0 DBADRM Cc1nc(C(=O)NC[C@H](O)CNc2ccnc(C(=O)[O-])n2)co1 ZINC001600684220 1017716613 /nfs/dbraw/zinc/71/66/13/1017716613.db2.gz TXMFFLIUMMAYGI-MRVPVSSYSA-N -1 0 321.293 -0.904 20 0 DBADRM Cc1nc(C)c(C(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])nc1C ZINC001600690578 1017716914 /nfs/dbraw/zinc/71/69/14/1017716914.db2.gz MPFWPJVIJCRXHR-WDEREUQCSA-N -1 0 320.349 -0.031 20 0 DBADRM Cc1nc(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001600685038 1017717148 /nfs/dbraw/zinc/71/71/48/1017717148.db2.gz OGPRKYDGBPCGAF-UJVNDKKSSA-N -1 0 317.309 -0.323 20 0 DBADRM Cc1nc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)co1 ZINC001600682352 1017717506 /nfs/dbraw/zinc/71/75/06/1017717506.db2.gz JHNIZIYHKPNBBT-ZJUUUORDSA-N -1 0 307.306 -0.012 20 0 DBADRM Cc1nc(C)n(C2CN(S(=O)(=O)CCCC(=O)[O-])C2)n1 ZINC001600693123 1017718178 /nfs/dbraw/zinc/71/81/78/1017718178.db2.gz ZRKBFPKGQCJUOV-UHFFFAOYSA-N -1 0 302.356 -0.054 20 0 DBADRM Cc1cc(S(=O)(=O)N=c2nc(C)[nH]n2C)oc1C(=O)[O-] ZINC001600717606 1017719126 /nfs/dbraw/zinc/71/91/26/1017719126.db2.gz IYIMVFLBSUEHJQ-UHFFFAOYSA-N -1 0 300.296 -0.054 20 0 DBADRM Cc1nc(NC2CC2)sc1C(=O)NCC(=O)NCC(=O)[O-] ZINC001600715429 1017719347 /nfs/dbraw/zinc/71/93/47/1017719347.db2.gz ZGECHFUTKNSECB-UHFFFAOYSA-N -1 0 312.351 -0.044 20 0 DBADRM Cc1nc(Cl)ccc1S(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001600706491 1017719529 /nfs/dbraw/zinc/71/95/29/1017719529.db2.gz BQHSWQRSNURQNY-UHFFFAOYSA-N -1 0 306.727 -0.137 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)c3cc(C(=O)[O-])on3)CC2)[nH]1 ZINC001600699912 1017719658 /nfs/dbraw/zinc/71/96/58/1017719658.db2.gz COFGBXKCISQJSS-UHFFFAOYSA-N -1 0 320.309 -0.243 20 0 DBADRM Cc1nc2ccccc2c(=O)n1CC(=O)NCC[C@H](O)C(=O)[O-] ZINC001600728429 1017720147 /nfs/dbraw/zinc/72/01/47/1017720147.db2.gz QQUQRYWACDSASU-LBPRGKRZSA-N -1 0 319.317 -0.343 20 0 DBADRM Cc1ncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1C ZINC001600734456 1017720230 /nfs/dbraw/zinc/72/02/30/1017720230.db2.gz WSPCUBUAKJFRSF-NAKRPEOUSA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CC(C(=O)[O-])C1 ZINC001600720175 1017720271 /nfs/dbraw/zinc/72/02/71/1017720271.db2.gz HRNIAZYMFZYECW-UHFFFAOYSA-N -1 0 318.333 -0.036 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)NCCn1cc(C(=O)[O-])nn1)C2 ZINC001600732306 1017720573 /nfs/dbraw/zinc/72/05/73/1017720573.db2.gz UZQWQLQYPQSHHL-UHFFFAOYSA-N -1 0 320.313 -0.898 20 0 DBADRM Cc1ncc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)c(N)n1 ZINC001600734966 1017720874 /nfs/dbraw/zinc/72/08/74/1017720874.db2.gz TXGUKVRSKFOGAK-VIFPVBQESA-N -1 0 308.294 -0.400 20 0 DBADRM Cc1nc2c(n1CCO)CC[C@@H](NC(=O)COCC(=O)[O-])C2 ZINC001600724200 1017721512 /nfs/dbraw/zinc/72/15/12/1017721512.db2.gz JJLZZAFAYWDXMR-SNVBAGLBSA-N -1 0 311.338 -0.741 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001498293222 1017722035 /nfs/dbraw/zinc/72/20/35/1017722035.db2.gz FNADWBBZTLYIKV-DTWKUNHWSA-N -1 0 312.374 -0.639 20 0 DBADRM Cc1nccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600748657 1017722105 /nfs/dbraw/zinc/72/21/05/1017722105.db2.gz DHCHMRPKJFOAJI-XWLWVQCSSA-N -1 0 318.333 -0.117 20 0 DBADRM Cc1nccc(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)n1 ZINC001600749178 1017723333 /nfs/dbraw/zinc/72/33/33/1017723333.db2.gz VZVQBRATYBFBOB-UHFFFAOYSA-N -1 0 316.321 -0.073 20 0 DBADRM Cc1nccc(CCC(=O)N[C@H](Cn2cncn2)C(=O)[O-])n1 ZINC001600749123 1017723639 /nfs/dbraw/zinc/72/36/39/1017723639.db2.gz RMVAHZUFCHITDJ-LLVKDONJSA-N -1 0 304.310 -0.421 20 0 DBADRM Cc1ncoc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600759145 1017724142 /nfs/dbraw/zinc/72/41/42/1017724142.db2.gz UETRUPVKOSFVJK-OGBGREFGSA-N -1 0 319.317 -0.110 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001600756567 1017724328 /nfs/dbraw/zinc/72/43/28/1017724328.db2.gz IIUBQOIHPRTGOP-LLVKDONJSA-N -1 0 308.338 -0.227 20 0 DBADRM Cc1ncccc1CC(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600752880 1017725108 /nfs/dbraw/zinc/72/51/08/1017725108.db2.gz OPPRMCHXNRCQBL-OLZOCXBDSA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1ncoc1C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600758868 1017725576 /nfs/dbraw/zinc/72/55/76/1017725576.db2.gz GOMYRATZWBGADH-DTWKUNHWSA-N -1 0 323.305 -0.993 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001600757097 1017725664 /nfs/dbraw/zinc/72/56/64/1017725664.db2.gz PFJMCPCXKVDJHW-GFCCVEGCSA-N -1 0 322.365 -0.075 20 0 DBADRM Cc1ncoc1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600759218 1017725678 /nfs/dbraw/zinc/72/56/78/1017725678.db2.gz YEVUJPWJQNHUGO-UWVGGRQHSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1ncccc1NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001600754009 1017725707 /nfs/dbraw/zinc/72/57/07/1017725707.db2.gz PRUOUCLZWIXJQT-UWVGGRQHSA-N -1 0 307.306 -0.377 20 0 DBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)NC[C@H](O)CC(=O)[O-] ZINC001600767184 1017726256 /nfs/dbraw/zinc/72/62/56/1017726256.db2.gz FYZVYWBBGBAOIW-SECBINFHSA-N -1 0 307.310 -0.520 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001600771225 1017726511 /nfs/dbraw/zinc/72/65/11/1017726511.db2.gz XPADWQSPYTVUJU-QWRGUYRKSA-N -1 0 311.338 -0.290 20 0 DBADRM Cc1nn(C)c(C)c1-c1cc(C(=O)NCC[C@H](O)C(=O)[O-])[nH]n1 ZINC001600767990 1017726634 /nfs/dbraw/zinc/72/66/34/1017726634.db2.gz CUBSHSUAZBOOBE-NSHDSACASA-N -1 0 321.337 -0.008 20 0 DBADRM Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@](C)(CO)C(=O)[O-])[nH]n1 ZINC001600768576 1017726922 /nfs/dbraw/zinc/72/69/22/1017726922.db2.gz ZLPSTAKDPCYDMC-CQSZACIVSA-N -1 0 321.337 -0.008 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001600767985 1017727336 /nfs/dbraw/zinc/72/73/36/1017727336.db2.gz CNIZENWTMODOJY-NSHDSACASA-N -1 0 322.365 -0.306 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1 ZINC001600768795 1017727362 /nfs/dbraw/zinc/72/73/62/1017727362.db2.gz ZCGGJNFJQGMUIH-LLVKDONJSA-N -1 0 319.321 -0.105 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001600768727 1017727453 /nfs/dbraw/zinc/72/74/53/1017727453.db2.gz TYISDTSMDCSMDV-JTQLQIEISA-N -1 0 308.338 -0.158 20 0 DBADRM Cc1nn(C)cc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600775850 1017728233 /nfs/dbraw/zinc/72/82/33/1017728233.db2.gz DMSMSWKFLXWXSM-GHMZBOCLSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1nn(C)cc1CN1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600778207 1017728278 /nfs/dbraw/zinc/72/82/78/1017728278.db2.gz AGHJCLJJMITHAH-RYUDHWBXSA-N -1 0 322.365 -0.888 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@@H](C(=O)N[C@]2(C(=O)[O-])CCOC2)C1 ZINC001600777555 1017728504 /nfs/dbraw/zinc/72/85/04/1017728504.db2.gz JNXCDCNWBGWISS-BXUZGUMPSA-N -1 0 322.321 -0.419 20 0 DBADRM Cc1nn(C)cc1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600775854 1017728652 /nfs/dbraw/zinc/72/86/52/1017728652.db2.gz DMSMSWKFLXWXSM-QWRGUYRKSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1nn(C)c(NS(=O)(=O)[C@H](C)C(=O)N(C)C)c1C(=O)[O-] ZINC001600774571 1017729024 /nfs/dbraw/zinc/72/90/24/1017729024.db2.gz SLJYHGGNDYECDR-SSDOTTSWSA-N -1 0 318.355 -0.355 20 0 DBADRM Cc1nn(C)cc1CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001600778758 1017729063 /nfs/dbraw/zinc/72/90/63/1017729063.db2.gz PFEMZPRQRJANAS-UWVGGRQHSA-N -1 0 310.354 -0.245 20 0 DBADRM Cc1nn(C)c(NC(=O)CCN2C(=O)CCC2=O)c1C(=O)[O-] ZINC001600773299 1017729246 /nfs/dbraw/zinc/72/92/46/1017729246.db2.gz OGYCUDBBYVNASC-UHFFFAOYSA-N -1 0 308.294 -0.096 20 0 DBADRM Cc1nn(CC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c(=O)n1C ZINC001600778645 1017729388 /nfs/dbraw/zinc/72/93/88/1017729388.db2.gz LOOMQRLKZSTDCR-UMNHJUIQSA-N -1 0 308.338 -0.398 20 0 DBADRM Cc1nn(CC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c(=O)o1 ZINC001600780028 1017730502 /nfs/dbraw/zinc/73/05/02/1017730502.db2.gz BXAJUUACVQEDSX-JTQLQIEISA-N -1 0 306.278 -0.648 20 0 DBADRM Cc1nn(CC(=O)N(C2CC2)C2(C(=O)[O-])CCC2)c(=O)n1C ZINC001600779303 1017730789 /nfs/dbraw/zinc/73/07/89/1017730789.db2.gz YYDAQZRNUYIVBK-UHFFFAOYSA-N -1 0 308.338 -0.111 20 0 DBADRM Cc1nnc(Cn2nnc(C(=O)N3CC(C)(C(=O)[O-])C3)c2C)o1 ZINC001600796832 1017731746 /nfs/dbraw/zinc/73/17/46/1017731746.db2.gz ZJPHSQRQBROPGF-UHFFFAOYSA-N -1 0 320.309 -0.127 20 0 DBADRM Cc1nnc(CN(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])o1 ZINC001600793874 1017732033 /nfs/dbraw/zinc/73/20/33/1017732033.db2.gz CQXASDSFUBKGDX-BQBZGAKWSA-N -1 0 313.314 -0.503 20 0 DBADRM Cc1nnc(CN2C(=O)[C@@H]3CC[C@@H](C(=O)[O-])CN3C2=O)n1C ZINC001600794110 1017732074 /nfs/dbraw/zinc/73/20/74/1017732074.db2.gz LETXRGDSWOKVOV-BDAKNGLRSA-N -1 0 307.310 -0.249 20 0 DBADRM Cc1nnc(N2CCN(c3ncncc3C(=O)[O-])CC2)n1C ZINC001600798144 1017732160 /nfs/dbraw/zinc/73/21/60/1017732160.db2.gz UKGMJAUCKPUTKL-UHFFFAOYSA-N -1 0 303.326 -0.062 20 0 DBADRM Cc1nnc(CC(=O)NCCNc2ccnc(C(=O)[O-])n2)o1 ZINC001600793944 1017733088 /nfs/dbraw/zinc/73/30/88/1017733088.db2.gz AGRKKPXAKGBSQA-UHFFFAOYSA-N -1 0 306.282 -0.941 20 0 DBADRM Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)[C@@H](C)CC(=O)[O-])C2 ZINC001600800773 1017734337 /nfs/dbraw/zinc/73/43/37/1017734337.db2.gz BYNDDPIYRGAADC-WPRPVWTQSA-N -1 0 323.353 -0.504 20 0 DBADRM Cc1nnsc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600802590 1017734443 /nfs/dbraw/zinc/73/44/43/1017734443.db2.gz JEDQKVYBLVFSME-RKDXNWHRSA-N -1 0 324.362 -0.150 20 0 DBADRM Cc1noc(C2CN(C(=O)CN3CCC[C@@H](C(=O)[O-])C3=O)C2)n1 ZINC001600813053 1017734520 /nfs/dbraw/zinc/73/45/20/1017734520.db2.gz JCKUZIVZKCDTRM-SNVBAGLBSA-N -1 0 322.321 -0.373 20 0 DBADRM Cc1nonc1CC(=O)NCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600817714 1017735342 /nfs/dbraw/zinc/73/53/42/1017735342.db2.gz NWPFGWRICKMSRT-BDAKNGLRSA-N -1 0 310.310 -0.784 20 0 DBADRM Cc1nonc1C(=O)N1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600817357 1017735368 /nfs/dbraw/zinc/73/53/68/1017735368.db2.gz AZIWKSHDAVJNQS-UWVGGRQHSA-N -1 0 322.321 -0.227 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001600813613 1017735406 /nfs/dbraw/zinc/73/54/06/1017735406.db2.gz XQMPTYUNQVZRNK-DTORHVGOSA-N -1 0 310.310 -0.642 20 0 DBADRM Cc1noc(CN2CC(CCO)(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600813394 1017735843 /nfs/dbraw/zinc/73/58/43/1017735843.db2.gz ZCOHBZZWAGLAHI-VHSXEESVSA-N -1 0 324.337 -0.848 20 0 DBADRM Cc1nonc1CC(=O)N(C)CCNc1ncc(C(=O)[O-])cn1 ZINC001600817408 1017735869 /nfs/dbraw/zinc/73/58/69/1017735869.db2.gz CAVZJOJTQVJGOL-UHFFFAOYSA-N -1 0 320.309 -0.021 20 0 DBADRM Cc1noc(CN2CC(CCO)(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600813387 1017735980 /nfs/dbraw/zinc/73/59/80/1017735980.db2.gz ZCOHBZZWAGLAHI-NXEZZACHSA-N -1 0 324.337 -0.848 20 0 DBADRM Cc1nocc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001600817740 1017736059 /nfs/dbraw/zinc/73/60/59/1017736059.db2.gz BKQBJSXDHOIOEI-SECBINFHSA-N -1 0 300.296 -0.179 20 0 DBADRM Cc1nonc1CNC(=O)C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001600818432 1017736174 /nfs/dbraw/zinc/73/61/74/1017736174.db2.gz GNCTYJMCPBONHK-UHFFFAOYSA-N -1 0 322.277 -0.090 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001600857187 1017737141 /nfs/dbraw/zinc/73/71/41/1017737141.db2.gz BHOWNLPROCKNMZ-MRVPVSSYSA-N -1 0 318.307 -0.839 20 0 DBADRM Cc1oc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)cc1C(=O)[O-] ZINC001600857402 1017737225 /nfs/dbraw/zinc/73/72/25/1017737225.db2.gz KOFCYZXWELXZEA-APPZFPTMSA-N -1 0 305.308 -0.740 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001600836354 1017737474 /nfs/dbraw/zinc/73/74/74/1017737474.db2.gz KCVANHYBFYLWMA-RNFRBKRXSA-N -1 0 302.308 -0.314 20 0 DBADRM CC/C=C(\C)C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001498330040 1017737685 /nfs/dbraw/zinc/73/76/85/1017737685.db2.gz UEILXSJRIRZBQU-XBXARRHUSA-N -1 0 309.326 -0.627 20 0 DBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)OCC(=O)NCC(=O)[O-] ZINC001600857144 1017738059 /nfs/dbraw/zinc/73/80/59/1017738059.db2.gz VRYNJEBPVOMSTJ-UHFFFAOYSA-N -1 0 319.291 -0.651 20 0 DBADRM Cc1sc(=O)n(CC(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])c1C ZINC001600866172 1017738921 /nfs/dbraw/zinc/73/89/21/1017738921.db2.gz HNQDJLHQEGRGQP-JTQLQIEISA-N -1 0 324.362 -0.007 20 0 DBADRM Cc1occc1C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001600860996 1017739159 /nfs/dbraw/zinc/73/91/59/1017739159.db2.gz ZMGGFHWNKOWWGT-VIFPVBQESA-N -1 0 320.305 -0.299 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001600864755 1017739201 /nfs/dbraw/zinc/73/92/01/1017739201.db2.gz WIJABMVXOCQXMJ-MRVPVSSYSA-N -1 0 318.355 -0.798 20 0 DBADRM Cc1occc1C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001600860284 1017740091 /nfs/dbraw/zinc/74/00/91/1017740091.db2.gz FGFBUCUFARDZRN-NSHDSACASA-N -1 0 320.305 -0.147 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC001600902474 1017740644 /nfs/dbraw/zinc/74/06/44/1017740644.db2.gz JHFOSDGRLQXJEA-MRVPVSSYSA-N -1 0 315.351 -0.513 20 0 DBADRM Cn1c2ccncc2n(CN2CCOC[C@H]2CC(=O)[O-])c1=O ZINC001600897432 1017741080 /nfs/dbraw/zinc/74/10/80/1017741080.db2.gz XPLVVYRJHFWGBM-SNVBAGLBSA-N -1 0 306.322 -0.132 20 0 DBADRM Cn1c(=O)[nH]cc1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001600898921 1017741120 /nfs/dbraw/zinc/74/11/20/1017741120.db2.gz AJYQZMJAVXDODK-UHFFFAOYSA-N -1 0 308.294 -0.039 20 0 DBADRM Cn1c(=O)cccc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600899616 1017741161 /nfs/dbraw/zinc/74/11/61/1017741161.db2.gz PERWCPQLZJXCCC-NXEZZACHSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1c(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c[nH]c1=O ZINC001600900232 1017741569 /nfs/dbraw/zinc/74/15/69/1017741569.db2.gz MBZLGPFKUSMKOS-IUCAKERBSA-N -1 0 322.321 -0.965 20 0 DBADRM Cn1c(=O)ccn(CC(=O)OC2CCC(C(=O)[O-])CC2)c1=O ZINC001600896183 1017741864 /nfs/dbraw/zinc/74/18/64/1017741864.db2.gz HLWUPABDTIEWOR-UHFFFAOYSA-N -1 0 310.306 -0.266 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1=O ZINC001600896128 1017741995 /nfs/dbraw/zinc/74/19/95/1017741995.db2.gz RCAYXXLBTUOZTA-YFKPBYRVSA-N -1 0 309.200 -0.379 20 0 DBADRM Cn1c(CC(=O)N[C@@](C)(CO)C(=O)[O-])nnc1-c1ccccc1 ZINC001600912159 1017742974 /nfs/dbraw/zinc/74/29/74/1017742974.db2.gz NGWZAGKLRNSJBF-HNNXBMFYSA-N -1 0 318.333 -0.024 20 0 DBADRM Cn1c(CC(=O)NC[C@@H](O)CC(=O)[O-])nnc1-c1ccccc1 ZINC001600913046 1017744236 /nfs/dbraw/zinc/74/42/36/1017744236.db2.gz XMFJJAPCHRGTIN-NSHDSACASA-N -1 0 318.333 -0.024 20 0 DBADRM Cn1cc(C(=O)N2CC[C@@H](Nc3ccnc(C(=O)[O-])n3)C2)nn1 ZINC001600928159 1017744766 /nfs/dbraw/zinc/74/47/66/1017744766.db2.gz FEMSZTLYVHZNJQ-MRVPVSSYSA-N -1 0 317.309 -0.948 20 0 DBADRM Cn1cc(-n2cc(C(=O)N[C@@](C)(CO)C(=O)[O-])ccc2=O)cn1 ZINC001600926945 1017744883 /nfs/dbraw/zinc/74/48/83/1017744883.db2.gz VQQXBYRPOXTZGV-AWEZNQCLSA-N -1 0 320.305 -0.864 20 0 DBADRM Cn1c(N2CCO[C@@H](CC(=O)[O-])C2)nnc1C1(CO)CCC1 ZINC001600919512 1017745455 /nfs/dbraw/zinc/74/54/55/1017745455.db2.gz ATBDNKTWPVKNHU-JTQLQIEISA-N -1 0 310.354 -0.091 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001600920473 1017745608 /nfs/dbraw/zinc/74/56/08/1017745608.db2.gz XWGRWVKXUODGDG-RQJHMYQMSA-N -1 0 300.340 -0.605 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001600922047 1017745989 /nfs/dbraw/zinc/74/59/89/1017745989.db2.gz TYYNJLIICWWEHE-BQBZGAKWSA-N -1 0 323.758 -0.470 20 0 DBADRM Cn1c(N2CCO[C@@H](CC(=O)[O-])C2)nnc1[C@@]1(C)CNC(=O)C1 ZINC001600919504 1017745763 /nfs/dbraw/zinc/74/57/63/1017745763.db2.gz ANBQWNMHVRDVQI-LKFCYVNXSA-N -1 0 323.353 -0.727 20 0 DBADRM Cn1cc(C(=O)CN2C(=O)N[C@](C)(CCC(=O)[O-])C2=O)nn1 ZINC001600928046 1017745785 /nfs/dbraw/zinc/74/57/85/1017745785.db2.gz QFPWXSNKZYVAHE-GFCCVEGCSA-N -1 0 309.282 -0.827 20 0 DBADRM Cn1cc(-c2n[nH]cc2C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC001600925473 1017746061 /nfs/dbraw/zinc/74/60/61/1017746061.db2.gz JYMFSKAZKIFQOC-JTQLQIEISA-N -1 0 305.294 -0.264 20 0 DBADRM Cn1cc(C(=O)N[C@H](C(=O)[O-])c2cccnc2)c(=O)n(C)c1=O ZINC001600928824 1017746469 /nfs/dbraw/zinc/74/64/69/1017746469.db2.gz MICSLSMUOAZFFC-JTQLQIEISA-N -1 0 318.289 -0.965 20 0 DBADRM Cn1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cn1 ZINC001600929745 1017746574 /nfs/dbraw/zinc/74/65/74/1017746574.db2.gz DTKXZRYQJYXTTC-ZJUUUORDSA-N -1 0 306.322 -0.481 20 0 DBADRM Cn1cc(C(=O)NC/C=C\CNc2ccnc(C(=O)[O-])n2)cn1 ZINC001600929779 1017747287 /nfs/dbraw/zinc/74/72/87/1017747287.db2.gz GFDSLHSUFAPFJU-IHWYPQMZSA-N -1 0 316.321 -0.272 20 0 DBADRM Cn1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)ccc1=O ZINC001600931043 1017747699 /nfs/dbraw/zinc/74/76/99/1017747699.db2.gz FSPXYRKQIIKDOH-QWRGUYRKSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC001600929633 1017747752 /nfs/dbraw/zinc/74/77/52/1017747752.db2.gz YZCMXRRFXNIBKF-NRPADANISA-N -1 0 307.306 -0.189 20 0 DBADRM Cn1cc(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)n(C)c1=O ZINC001600932738 1017748756 /nfs/dbraw/zinc/74/87/56/1017748756.db2.gz OFUICLDCQJYNAD-UHFFFAOYSA-N -1 0 307.310 -0.008 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)NCCCNS(C)(=O)=O)n1 ZINC001600934418 1017748981 /nfs/dbraw/zinc/74/89/81/1017748981.db2.gz GYVNFYPTXOYQFI-UHFFFAOYSA-N -1 0 319.343 -0.821 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])cn1 ZINC001600942569 1017749904 /nfs/dbraw/zinc/74/99/04/1017749904.db2.gz JVYFELXKNKLGDE-MWLCHTKSSA-N -1 0 313.310 -0.824 20 0 DBADRM Cn1cc(/C=C\C(=O)NC2CC(CC(=O)[O-])C2)c(=O)n(C)c1=O ZINC001600945784 1017750237 /nfs/dbraw/zinc/75/02/37/1017750237.db2.gz LXEBKKPOKCYEPI-ARJAWSKDSA-N -1 0 321.333 -0.533 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cn1 ZINC001600942205 1017750300 /nfs/dbraw/zinc/75/03/00/1017750300.db2.gz BVYVIGSNGYKRKG-DVVUODLYSA-N -1 0 312.326 -0.758 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)N3CCOC[C@@H]3C(=O)[O-])C2)cn1 ZINC001600945159 1017750332 /nfs/dbraw/zinc/75/03/32/1017750332.db2.gz KVDIGWGRIJNUJL-MNOVXSKESA-N -1 0 308.294 -0.775 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)N[C@]3(C(=O)[O-])CCOC3)C2)cn1 ZINC001600944731 1017750346 /nfs/dbraw/zinc/75/03/46/1017750346.db2.gz KALMBNXIWOXKLI-ZWNOBZJWSA-N -1 0 308.294 -0.727 20 0 DBADRM Cn1cc(/C=C\C(=O)OC2CC(CC(=O)[O-])C2)c(=O)n(C)c1=O ZINC001600946566 1017750491 /nfs/dbraw/zinc/75/04/91/1017750491.db2.gz QVNZSLXUVGVFNS-ARJAWSKDSA-N -1 0 322.317 -0.106 20 0 DBADRM Cn1cc(C(=O)O[C@@H]2CCCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001600941518 1017750596 /nfs/dbraw/zinc/75/05/96/1017750596.db2.gz PGWOFSRCNBOIKI-PSASIEDQSA-N -1 0 310.306 -0.116 20 0 DBADRM Cn1cc([C@@H](O)CNS(=O)(=O)c2cc(C(=O)[O-])co2)cn1 ZINC001600942486 1017750732 /nfs/dbraw/zinc/75/07/32/1017750732.db2.gz HYRRUUZKASACRE-VIFPVBQESA-N -1 0 315.307 -0.277 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)cn1 ZINC001600942633 1017751062 /nfs/dbraw/zinc/75/10/62/1017751062.db2.gz LAHDXJWLGYMDNB-JOYOIKCWSA-N -1 0 319.321 -0.001 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)CCCn2ccc(C(=O)[O-])n2)cn1 ZINC001600942681 1017751113 /nfs/dbraw/zinc/75/11/13/1017751113.db2.gz MMNPPOZNKJEVHX-GFCCVEGCSA-N -1 0 321.337 -0.055 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)NC3(C(=O)[O-])CC(CO)C3)C2)cn1 ZINC001600943496 1017751232 /nfs/dbraw/zinc/75/12/32/1017751232.db2.gz ALGLPJGXMYPCPN-IYXOAMITSA-N -1 0 322.321 -0.745 20 0 DBADRM Cn1cc(CCCNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cn1 ZINC001600950415 1017752018 /nfs/dbraw/zinc/75/20/18/1017752018.db2.gz UQPNNGMWLNUWOD-NEPJUHHUSA-N -1 0 310.354 -0.170 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)N2CCC(CC(=O)[O-])CC2)cn1 ZINC001600950142 1017752160 /nfs/dbraw/zinc/75/21/60/1017752160.db2.gz PKAHYSOAJBSSKN-UHFFFAOYSA-N -1 0 322.365 -0.208 20 0 DBADRM Cn1cc(CCC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cn1 ZINC001600949474 1017752318 /nfs/dbraw/zinc/75/23/18/1017752318.db2.gz QJTYUMPTOGWDED-LLVKDONJSA-N -1 0 308.338 -0.456 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cn1 ZINC001600949324 1017752416 /nfs/dbraw/zinc/75/24/16/1017752416.db2.gz ZUVOXAQUDANKHZ-KVSVUVNWSA-N -1 0 307.350 -0.061 20 0 DBADRM Cn1cc(CCCNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC001600949754 1017752876 /nfs/dbraw/zinc/75/28/76/1017752876.db2.gz DYWPBAOEKIKUAB-UHFFFAOYSA-N -1 0 322.365 -0.208 20 0 DBADRM Cn1cc(CNC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])nn1 ZINC001600953624 1017754288 /nfs/dbraw/zinc/75/42/88/1017754288.db2.gz IBWKTBHOUDZPQH-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])nn1 ZINC001600959275 1017754405 /nfs/dbraw/zinc/75/44/05/1017754405.db2.gz QPXQLZVOAKULLJ-NRPADANISA-N -1 0 307.310 -0.535 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)cc1C(=O)[O-] ZINC001600959839 1017754953 /nfs/dbraw/zinc/75/49/53/1017754953.db2.gz UUEMGCKRHXCBBD-RMLUDKJBSA-N -1 0 307.306 -0.355 20 0 DBADRM Cn1cc(CNC(=O)NC2CCC(C(=O)[O-])CC2)c(=O)[nH]c1=O ZINC001600953862 1017755101 /nfs/dbraw/zinc/75/51/01/1017755101.db2.gz RSNBKMMBHAZKCH-UHFFFAOYSA-N -1 0 324.337 -0.072 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)ccc1=O ZINC001600958142 1017755381 /nfs/dbraw/zinc/75/53/81/1017755381.db2.gz BFVAGULZLKDBRD-JZYVYDRUSA-N -1 0 305.290 -0.887 20 0 DBADRM Cn1cc(N2CCN(Cc3cn(CC(=O)[O-])nn3)CC2)cn1 ZINC001600959705 1017755608 /nfs/dbraw/zinc/75/56/08/1017755608.db2.gz XPMZVRAEBLPYLR-UHFFFAOYSA-N -1 0 305.342 -0.582 20 0 DBADRM Cn1cc(N2CCN(c3ncc(C(=O)[O-])cn3)CC2=O)cn1 ZINC001600959737 1017755658 /nfs/dbraw/zinc/75/56/58/1017755658.db2.gz YMZBIGFCLLRGKC-UHFFFAOYSA-N -1 0 302.294 -0.239 20 0 DBADRM Cn1cc(CNC(=O)NCCCCCC(=O)[O-])c(=O)[nH]c1=O ZINC001600953847 1017755728 /nfs/dbraw/zinc/75/57/28/1017755728.db2.gz QLDRMSMOCMAGOW-UHFFFAOYSA-N -1 0 312.326 -0.070 20 0 DBADRM Cn1cc(N2CCN(Cc3oncc3C(=O)[O-])CC2=O)cn1 ZINC001600958938 1017755773 /nfs/dbraw/zinc/75/57/73/1017755773.db2.gz MHGPJLQNUUOZRP-UHFFFAOYSA-N -1 0 305.294 -0.045 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N3CC[C@](F)(C(=O)[O-])C3)CC2=O)cn1 ZINC001600961973 1017756120 /nfs/dbraw/zinc/75/61/20/1017756120.db2.gz NQPDSLSBARTOEB-LKFCYVNXSA-N -1 0 324.312 -0.202 20 0 DBADRM Cn1cc(NC(=O)c2cnn(C[C@H](O)CO)c2)cc1C(=O)[O-] ZINC001600965791 1017756145 /nfs/dbraw/zinc/75/61/45/1017756145.db2.gz UYFVYAJJALXLTA-JTQLQIEISA-N -1 0 308.294 -0.475 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCCOCCCO)cc1C(=O)[O-] ZINC001600961624 1017757365 /nfs/dbraw/zinc/75/73/65/1017757365.db2.gz ZCPWTGIOHAVRCV-UHFFFAOYSA-N -1 0 313.310 -0.823 20 0 DBADRM Cn1cc(NC(=O)Cn2ncn3nccc3c2=O)cc1C(=O)[O-] ZINC001600963071 1017757599 /nfs/dbraw/zinc/75/75/99/1017757599.db2.gz ICIQLFMATIUOLH-UHFFFAOYSA-N -1 0 316.277 -0.434 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])nc1Cl ZINC001600966837 1017758253 /nfs/dbraw/zinc/75/82/53/1017758253.db2.gz HXXCQDQBGDJIJN-XPUUQOCRSA-N -1 0 323.758 -0.328 20 0 DBADRM Cn1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600971309 1017760390 /nfs/dbraw/zinc/76/03/90/1017760390.db2.gz RLLBLDJMPMAUED-ULHKAFAUSA-N -1 0 318.333 -0.673 20 0 DBADRM Cn1ccc(C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])cc1=O ZINC001600971077 1017760613 /nfs/dbraw/zinc/76/06/13/1017760613.db2.gz LNOZATFKPIJYPU-CQSZACIVSA-N -1 0 304.306 -0.145 20 0 DBADRM Cn1cc(S(=O)(=O)NCCN=S(C)(C)=O)cc1C(=O)[O-] ZINC001600968345 1017761023 /nfs/dbraw/zinc/76/10/23/1017761023.db2.gz FUBZZRKLEVKRNU-UHFFFAOYSA-N -1 0 323.396 -0.271 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])cn1 ZINC001600968534 1017761116 /nfs/dbraw/zinc/76/11/16/1017761116.db2.gz ZSABCIWLCATNNH-WPRPVWTQSA-N -1 0 303.340 -0.279 20 0 DBADRM Cn1ccc(CN2CC(CCO)(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600976878 1017762699 /nfs/dbraw/zinc/76/26/99/1017762699.db2.gz VYCYAFINAJUEDA-NEPJUHHUSA-N -1 0 322.365 -0.806 20 0 DBADRM Cn1ccc([C@H](NC(=O)c2cnn3c2OCCC3)C(=O)[O-])n1 ZINC001600973594 1017762878 /nfs/dbraw/zinc/76/28/78/1017762878.db2.gz TXHAFCMLBLKPGV-JTQLQIEISA-N -1 0 305.294 -0.045 20 0 DBADRM Cn1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600972707 1017763242 /nfs/dbraw/zinc/76/32/42/1017763242.db2.gz RTCNQQUGVFXSRO-GWOFURMSSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1ccc(CNC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC001600975950 1017763571 /nfs/dbraw/zinc/76/35/71/1017763571.db2.gz KFACXJZBKFIPBQ-NSHDSACASA-N -1 0 309.322 -0.657 20 0 DBADRM Cn1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C(=O)[O-] ZINC001600977196 1017763661 /nfs/dbraw/zinc/76/36/61/1017763661.db2.gz DSZVREYMPHCCOU-MRVPVSSYSA-N -1 0 316.335 -0.595 20 0 DBADRM Cn1cccc1C(=O)NC[C@@H](CO)Nc1ncc(C(=O)[O-])cn1 ZINC001600978759 1017764347 /nfs/dbraw/zinc/76/43/47/1017764347.db2.gz QSHVBLHMZQURTK-JTQLQIEISA-N -1 0 319.321 -0.284 20 0 DBADRM Cn1ccc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cc1=O ZINC001600972700 1017764469 /nfs/dbraw/zinc/76/44/69/1017764469.db2.gz RNHHHLWRUAPCIR-WDEREUQCSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1ccnc1CCNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001600985580 1017766556 /nfs/dbraw/zinc/76/65/56/1017766556.db2.gz SFQACCLZRZRRAX-UHFFFAOYSA-N -1 0 304.306 -0.361 20 0 DBADRM Cn1cccc1CNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001600981703 1017766867 /nfs/dbraw/zinc/76/68/67/1017766867.db2.gz WZQGYXLJCKUZPU-NSHDSACASA-N -1 0 309.322 -0.657 20 0 DBADRM Cn1ccnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001600985669 1017767354 /nfs/dbraw/zinc/76/73/54/1017767354.db2.gz XJLWWPUHQYAYQK-HKLXJQGRSA-N -1 0 304.350 -0.313 20 0 DBADRM Cn1ccnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600985672 1017768292 /nfs/dbraw/zinc/76/82/92/1017768292.db2.gz XJLWWPUHQYAYQK-YFVNTRNASA-N -1 0 304.350 -0.313 20 0 DBADRM Cn1ccnc1CN1CCC(C(=O)N2CC(O)(C(=O)[O-])C2)CC1 ZINC001600985444 1017768380 /nfs/dbraw/zinc/76/83/80/1017768380.db2.gz OGGPNXYFPNPMHO-UHFFFAOYSA-N -1 0 322.365 -0.710 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1=O ZINC001600979748 1017768449 /nfs/dbraw/zinc/76/84/49/1017768449.db2.gz VWXSKRRHNXFXDJ-CQSZACIVSA-N -1 0 323.305 -0.926 20 0 DBADRM Cn1cccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600978929 1017768575 /nfs/dbraw/zinc/76/85/75/1017768575.db2.gz XXZKURNSVYZSER-VLLVSFFDSA-N -1 0 317.345 -0.068 20 0 DBADRM Cn1ccnc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c1=O ZINC001600981060 1017769309 /nfs/dbraw/zinc/76/93/09/1017769309.db2.gz PTHSMJNVNLDBLV-AWEZNQCLSA-N -1 0 308.338 -0.854 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)Nc2ccsc2C(=O)[O-])n1 ZINC001600988833 1017770137 /nfs/dbraw/zinc/77/01/37/1017770137.db2.gz IKOOBSWZHSZNPF-UHFFFAOYSA-N -1 0 309.307 -0.170 20 0 DBADRM Cn1cnc(C(=O)N2CCC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001600987221 1017770169 /nfs/dbraw/zinc/77/01/69/1017770169.db2.gz HGSAVCFZPZQOOA-VHSXEESVSA-N -1 0 321.337 -0.743 20 0 DBADRM Cn1cnc(/C=C\C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1 ZINC001600989625 1017770499 /nfs/dbraw/zinc/77/04/99/1017770499.db2.gz AIACWJZSUJUOON-IHWYPQMZSA-N -1 0 302.294 -0.194 20 0 DBADRM Cn1cnc(CCNC(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)c1 ZINC001600988932 1017771565 /nfs/dbraw/zinc/77/15/65/1017771565.db2.gz OJUDDHQTVDHRTJ-NSHDSACASA-N -1 0 322.365 -0.304 20 0 DBADRM Cn1cncc1C(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001600992276 1017771805 /nfs/dbraw/zinc/77/18/05/1017771805.db2.gz IAKNFTRQLJYDAN-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM Cn1cnc(NC(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1 ZINC001600989314 1017772112 /nfs/dbraw/zinc/77/21/12/1017772112.db2.gz GGOPUJQIHXIHAT-DTWKUNHWSA-N -1 0 307.310 -0.677 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC001600989109 1017772187 /nfs/dbraw/zinc/77/21/87/1017772187.db2.gz VBYSARXBKFSDKL-CQSZACIVSA-N -1 0 308.338 -0.250 20 0 DBADRM Cn1ccc([C@@H](NC(=O)CCC(=O)N2CCOCC2)C(=O)[O-])n1 ZINC001600988644 1017772992 /nfs/dbraw/zinc/77/29/92/1017772992.db2.gz HKGDKJNKCJVDRS-CYBMUJFWSA-N -1 0 324.337 -0.699 20 0 DBADRM Cn1cncc1C(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600992344 1017774792 /nfs/dbraw/zinc/77/47/92/1017774792.db2.gz LKIYZAOOANBJPG-DTWKUNHWSA-N -1 0 306.322 -0.481 20 0 DBADRM Cn1cncc1C(=O)NC1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600992350 1017775081 /nfs/dbraw/zinc/77/50/81/1017775081.db2.gz LOTTWKJOVJWOFN-QWRGUYRKSA-N -1 0 320.349 -0.138 20 0 DBADRM Cn1cnn(CC(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c1=O ZINC001600995026 1017776572 /nfs/dbraw/zinc/77/65/72/1017776572.db2.gz CDTVSYIZXUGMRF-NSHDSACASA-N -1 0 310.354 -0.021 20 0 DBADRM Cn1cncc1CCC(=O)NCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600992659 1017776964 /nfs/dbraw/zinc/77/69/64/1017776964.db2.gz ASRZQMDMNLIAJM-MNOVXSKESA-N -1 0 308.338 -0.694 20 0 DBADRM Cn1cnnc1[C@@H](CO)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001600994114 1017777002 /nfs/dbraw/zinc/77/70/02/1017777002.db2.gz BCJQBPGOCORABA-SECBINFHSA-N -1 0 308.338 0.000 20 0 DBADRM Cn1cncc1C(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001600992956 1017777461 /nfs/dbraw/zinc/77/74/61/1017777461.db2.gz ZSHSYJBEOSTBGI-VIFPVBQESA-N -1 0 316.321 -0.343 20 0 DBADRM Cn1nc(Br)nc1CN1CC[C@@](O)(C(=O)[O-])C1 ZINC001600998659 1017777884 /nfs/dbraw/zinc/77/78/84/1017777884.db2.gz FRQMJDFYJCCHSQ-VIFPVBQESA-N -1 0 305.132 -0.401 20 0 DBADRM Cn1cnn(CCC(=O)N[C@H](C(=O)[O-])c2ccsc2)c1=O ZINC001600996029 1017777983 /nfs/dbraw/zinc/77/79/83/1017777983.db2.gz PHTLHFOUPJBOKW-JTQLQIEISA-N -1 0 310.335 -0.025 20 0 DBADRM Cn1cnn(CCC(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])c1=O ZINC001600995982 1017778999 /nfs/dbraw/zinc/77/89/99/1017778999.db2.gz OYUNUBGIHDQYDH-NXEZZACHSA-N -1 0 312.326 -0.890 20 0 DBADRM Cn1cnnc1CN1CCC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600996645 1017779090 /nfs/dbraw/zinc/77/90/90/1017779090.db2.gz RGUJSSXNNVPBLA-NWDGAFQWSA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)c2ccoc2CC(=O)[O-])CC1 ZINC001600995439 1017779437 /nfs/dbraw/zinc/77/94/37/1017779437.db2.gz RZYDPWVSJHUNRS-UHFFFAOYSA-N -1 0 319.321 -0.002 20 0 DBADRM Cn1cnn(CC(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])c1=O ZINC001600995377 1017779556 /nfs/dbraw/zinc/77/95/56/1017779556.db2.gz KDBAGCXKNRHKBF-LLVKDONJSA-N -1 0 319.321 -0.964 20 0 DBADRM Cn1cnn(CCC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1=O ZINC001600996633 1017780024 /nfs/dbraw/zinc/78/00/24/1017780024.db2.gz YGPSQDYKIDILCA-GFCCVEGCSA-N -1 0 318.333 -0.216 20 0 DBADRM Cn1cnn(CC(=O)N[C@@H](CC(=O)[O-])c2ccncc2)c1=O ZINC001600995547 1017780397 /nfs/dbraw/zinc/78/03/97/1017780397.db2.gz LNAJPEQWNFJTOY-JTQLQIEISA-N -1 0 305.294 -0.691 20 0 DBADRM Cn1cnnc1CN1CC=C(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600996383 1017780629 /nfs/dbraw/zinc/78/06/29/1017780629.db2.gz PBJDYCAKNZMWPP-VXGBXAGGSA-N -1 0 319.365 -0.216 20 0 DBADRM Cn1cnnc1COCC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001600996505 1017780671 /nfs/dbraw/zinc/78/06/71/1017780671.db2.gz XLAAUXUTQTZGQP-YTWAJWBKSA-N -1 0 308.338 -0.053 20 0 DBADRM Cn1nc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)ccc1=O ZINC001601005243 1017781237 /nfs/dbraw/zinc/78/12/37/1017781237.db2.gz GOMYMGKUABDUGJ-SECBINFHSA-N -1 0 309.278 -0.987 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)NCCCN1C(=O)CCC1=O ZINC001601005687 1017781668 /nfs/dbraw/zinc/78/16/68/1017781668.db2.gz IMTHKMNXSOCEML-UHFFFAOYSA-N -1 0 323.309 -0.221 20 0 DBADRM Cn1nc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)cc1OC(F)F ZINC001601000279 1017782024 /nfs/dbraw/zinc/78/20/24/1017782024.db2.gz PMQOGQYAPODDJR-KMXNSFKFSA-N -1 0 305.237 -0.271 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCC(=O)N1CCOCC1 ZINC001601001067 1017782753 /nfs/dbraw/zinc/78/27/53/1017782753.db2.gz JBCJNYWWPCHWHQ-UHFFFAOYSA-N -1 0 310.310 -0.903 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001601002666 1017782839 /nfs/dbraw/zinc/78/28/39/1017782839.db2.gz DWXZPCMXLDAJPJ-ZETCQYMHSA-N -1 0 318.293 -0.167 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)COc1cccnc1 ZINC001498408074 1017783727 /nfs/dbraw/zinc/78/37/27/1017783727.db2.gz GQBFSGNDCLZPJF-JTQLQIEISA-N -1 0 320.353 -0.079 20 0 DBADRM Cn1nc(NC(=O)C2CCS(=O)(=O)CC2)cc1C(=O)[O-] ZINC001601011654 1017783872 /nfs/dbraw/zinc/78/38/72/1017783872.db2.gz JHZRLHKKIFZUDT-UHFFFAOYSA-N -1 0 301.324 -0.118 20 0 DBADRM Cn1nc(NC(=O)N2CCC(CO)(CO)CC2)cc1C(=O)[O-] ZINC001601014124 1017783998 /nfs/dbraw/zinc/78/39/98/1017783998.db2.gz NLVTVTMAFDTEQO-UHFFFAOYSA-N -1 0 312.326 -0.283 20 0 DBADRM Cn1nc(C(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])ccc1=O ZINC001601011614 1017784161 /nfs/dbraw/zinc/78/41/61/1017784161.db2.gz JVYWVFAFIHEOMH-KOLCDFICSA-N -1 0 309.322 -0.220 20 0 DBADRM Cn1[nH]c(=O)c2c1CN(CC(=O)N1CCC(C(=O)[O-])CC1)CC2 ZINC001601015436 1017784432 /nfs/dbraw/zinc/78/44/32/1017784432.db2.gz DUWNYMURQOGHNX-UHFFFAOYSA-N -1 0 322.365 -0.193 20 0 DBADRM Cn1ncc(C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CCC2)n1 ZINC001601022087 1017784786 /nfs/dbraw/zinc/78/47/86/1017784786.db2.gz XIIJAQPNILNLSJ-DTWKUNHWSA-N -1 0 321.337 -0.696 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCC[C@H]1CCOC1 ZINC001601023665 1017785023 /nfs/dbraw/zinc/78/50/23/1017785023.db2.gz SVASNALDVLOMER-QMMMGPOBSA-N -1 0 310.310 -0.400 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCc1nccs1 ZINC001601023163 1017785218 /nfs/dbraw/zinc/78/52/18/1017785218.db2.gz MTYIFOUAYQVUIP-UHFFFAOYSA-N -1 0 323.334 -0.128 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001601025616 1017785341 /nfs/dbraw/zinc/78/53/41/1017785341.db2.gz XNMBXTSZKBZLQV-SLGCYQGISA-N -1 0 312.326 -0.096 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@H]1CCOC1(C)C ZINC001601023989 1017785412 /nfs/dbraw/zinc/78/54/12/1017785412.db2.gz VCAXASCUWBWJNN-MRVPVSSYSA-N -1 0 324.337 -0.012 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001601023232 1017785605 /nfs/dbraw/zinc/78/56/05/1017785605.db2.gz OTGCSDLFOUYINB-CYBMUJFWSA-N -1 0 307.310 -0.138 20 0 DBADRM Cn1ncc(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)c1N ZINC001601024797 1017786570 /nfs/dbraw/zinc/78/65/70/1017786570.db2.gz FUDHDXMEFWKYMD-SECBINFHSA-N -1 0 310.310 -0.375 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)NCCN1CCNC1=S ZINC001601024208 1017787336 /nfs/dbraw/zinc/78/73/36/1017787336.db2.gz WLSCXHPCBQQXSJ-UHFFFAOYSA-N -1 0 312.355 -0.570 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCCOCC1CC1 ZINC001601023820 1017787474 /nfs/dbraw/zinc/78/74/74/1017787474.db2.gz UVICHAUTWBMMIU-UHFFFAOYSA-N -1 0 324.337 -0.010 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)N[C@H](CC1OCCO1)C(=O)[O-])CC2 ZINC001601030464 1017788054 /nfs/dbraw/zinc/78/80/54/1017788054.db2.gz ARWXPWONBXFVEY-GXSJLCMTSA-N -1 0 323.349 -0.143 20 0 DBADRM Cn1nccc1C(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001601031580 1017788462 /nfs/dbraw/zinc/78/84/62/1017788462.db2.gz GASUIOBIZAQABA-SECBINFHSA-N -1 0 316.321 -0.083 20 0 DBADRM Cn1ncc2c1C[C@@H](C(=O)NCCn1cc(C(=O)[O-])nn1)CC2 ZINC001601030991 1017788835 /nfs/dbraw/zinc/78/88/35/1017788835.db2.gz OBYXKHYGHGQALN-VIFPVBQESA-N -1 0 318.337 -0.369 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c2=O ZINC001601029773 1017789847 /nfs/dbraw/zinc/78/98/47/1017789847.db2.gz OLYCTCRMTBWGPC-SECBINFHSA-N -1 0 317.305 -0.580 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001601027394 1017789935 /nfs/dbraw/zinc/78/99/35/1017789935.db2.gz HKORHSQIGKVCCS-JTQLQIEISA-N -1 0 323.758 -0.014 20 0 DBADRM Cn1ncc2c1ncn(Cc1noc(CCCC(=O)[O-])n1)c2=O ZINC001601029337 1017790639 /nfs/dbraw/zinc/79/06/39/1017790639.db2.gz DSVICBKAHFHONL-UHFFFAOYSA-N -1 0 318.293 -0.031 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@@H]1CCc2nnnn2CC1)C(=O)[O-] ZINC001601032947 1017792619 /nfs/dbraw/zinc/79/26/19/1017792619.db2.gz NRNLMZGMXOROPC-LDYMZIIASA-N -1 0 319.325 -0.699 20 0 DBADRM Cn1nccc1CNC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001601039412 1017793624 /nfs/dbraw/zinc/79/36/24/1017793624.db2.gz JOEGKWRNIRQBPV-AWEZNQCLSA-N -1 0 308.338 -0.250 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC001601039031 1017793869 /nfs/dbraw/zinc/79/38/69/1017793869.db2.gz XEKFDWUFSCPZPG-UWVGGRQHSA-N -1 0 308.338 -0.264 20 0 DBADRM Cn1ncnc1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001601038723 1017793889 /nfs/dbraw/zinc/79/38/89/1017793889.db2.gz JKJFHGGKDJGALR-QMMMGPOBSA-N -1 0 305.298 -0.418 20 0 DBADRM Cn1nccc1[C@@H]1COCCN1CCc1cn(CC(=O)[O-])nn1 ZINC001601037116 1017793994 /nfs/dbraw/zinc/79/39/94/1017793994.db2.gz COCMKGNLNIFVQU-ZDUSSCGKSA-N -1 0 320.353 -0.288 20 0 DBADRM Cn1nccc1[C@H]1COCCN1Cc1cn(CC(=O)[O-])nn1 ZINC001601038326 1017794070 /nfs/dbraw/zinc/79/40/70/1017794070.db2.gz RURBRRMLNRZMHF-GFCCVEGCSA-N -1 0 306.326 -0.330 20 0 DBADRM Cn1ncnc1CN1CC=C(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601038737 1017794443 /nfs/dbraw/zinc/79/44/43/1017794443.db2.gz JUORAXSKASRXJM-VXGBXAGGSA-N -1 0 319.365 -0.216 20 0 DBADRM Cn1nccc1CC(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001601038488 1017794686 /nfs/dbraw/zinc/79/46/86/1017794686.db2.gz YHVPIPGKYWZXNK-NWDGAFQWSA-N -1 0 320.349 -0.742 20 0 DBADRM Cn1nccc1[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])cn2)CCO1 ZINC001601036385 1017795174 /nfs/dbraw/zinc/79/51/74/1017795174.db2.gz IEPALPNLABADDW-LBPRGKRZSA-N -1 0 319.321 -0.085 20 0 DBADRM Cn1ncnc1CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC001601038857 1017795320 /nfs/dbraw/zinc/79/53/20/1017795320.db2.gz OXDADXVQWYFAQO-GHMZBOCLSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1ncnc1CN1CC=C(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601038736 1017795400 /nfs/dbraw/zinc/79/54/00/1017795400.db2.gz JUORAXSKASRXJM-RYUDHWBXSA-N -1 0 319.365 -0.216 20 0 DBADRM Cn1nccc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001601038075 1017795876 /nfs/dbraw/zinc/79/58/76/1017795876.db2.gz OVNFTAXKDZPXFV-QSFUFRPTSA-N -1 0 320.349 -0.553 20 0 DBADRM Cn1ncnc1CCCNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001601038632 1017796090 /nfs/dbraw/zinc/79/60/90/1017796090.db2.gz DXTAVTYMQUJGHH-ZJUUUORDSA-N -1 0 316.383 -0.080 20 0 DBADRM Cn1nccc1CC(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001601038489 1017796444 /nfs/dbraw/zinc/79/64/44/1017796444.db2.gz YHVPIPGKYWZXNK-RYUDHWBXSA-N -1 0 320.349 -0.742 20 0 DBADRM Cn1nccc1[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCO1 ZINC001601038536 1017796490 /nfs/dbraw/zinc/79/64/90/1017796490.db2.gz ZQXQXFVUHYPOLY-GRYCIOLGSA-N -1 0 309.322 -0.048 20 0 DBADRM Cn1ncnc1CN1CCC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601038694 1017796679 /nfs/dbraw/zinc/79/66/79/1017796679.db2.gz HYAISJOUKHFZRP-QWRGUYRKSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)NC[C@]1(C(=O)[O-])CCOC1)CC2 ZINC001601042371 1017799242 /nfs/dbraw/zinc/79/92/42/1017799242.db2.gz LPTNDGCOQIGJSC-LKFCYVNXSA-N -1 0 308.338 -0.473 20 0 DBADRM Cn1nnc(CNC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CCC2)n1 ZINC001601040992 1017799350 /nfs/dbraw/zinc/79/93/50/1017799350.db2.gz YKHBTIRQGILDSM-BDAKNGLRSA-N -1 0 308.342 -0.941 20 0 DBADRM Cn1nnnc1C1CCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC001601044363 1017800432 /nfs/dbraw/zinc/80/04/32/1017800432.db2.gz SHTWHGMIIBYAHI-UHFFFAOYSA-N -1 0 312.330 -0.800 20 0 DBADRM Cn1nnc2c1CC[C@@H](NC(=O)Cn1cc(C(=O)[O-])cn1)C2 ZINC001601043793 1017800925 /nfs/dbraw/zinc/80/09/25/1017800925.db2.gz MAKJOHLRKFXFTH-SECBINFHSA-N -1 0 304.310 -0.617 20 0 DBADRM Cn1nnnc1CCCNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001601044340 1017801016 /nfs/dbraw/zinc/80/10/16/1017801016.db2.gz RBSZELWVNYACES-BDAKNGLRSA-N -1 0 317.371 -0.685 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)NCCn1cc(C(=O)[O-])nn1)CC2 ZINC001601043030 1017801215 /nfs/dbraw/zinc/80/12/15/1017801215.db2.gz QGXLHQJRNNOUTM-MRVPVSSYSA-N -1 0 319.325 -0.974 20 0 DBADRM Cn1oc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cc1=O ZINC001601045907 1017801670 /nfs/dbraw/zinc/80/16/70/1017801670.db2.gz RURCTQJBSOJNEJ-JBDRJPRFSA-N -1 0 323.305 -0.924 20 0 DBADRM Cn1nnnc1CN1CCC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601046995 1017801969 /nfs/dbraw/zinc/80/19/69/1017801969.db2.gz WPGOISBSJRNFIZ-VHSXEESVSA-N -1 0 308.342 -0.989 20 0 DBADRM Cn1nnnc1CCNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001601045638 1017802172 /nfs/dbraw/zinc/80/21/72/1017802172.db2.gz DVBKGKAKDNDZNS-UHFFFAOYSA-N -1 0 311.323 -0.571 20 0 DBADRM NC(=O)C(=O)N1CCCC[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001601137012 1017807577 /nfs/dbraw/zinc/80/75/77/1017807577.db2.gz JCDUZGWUSWCPKK-VIFPVBQESA-N -1 0 307.310 -0.547 20 0 DBADRM NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ncc(C(=O)[O-])cn1 ZINC001601137207 1017807953 /nfs/dbraw/zinc/80/79/53/1017807953.db2.gz LORQAGZWLPVKSI-PBINXNQUSA-N -1 0 319.321 -0.724 20 0 DBADRM NC(=O)C(=O)NCCC[C@H]1CCCN1c1ccnc(C(=O)[O-])n1 ZINC001601137217 1017808205 /nfs/dbraw/zinc/80/82/05/1017808205.db2.gz LUSKQMDPLPTREO-VIFPVBQESA-N -1 0 321.337 -0.475 20 0 DBADRM NC(=O)C1(NC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC001601138238 1017808421 /nfs/dbraw/zinc/80/84/21/1017808421.db2.gz FUKDXDIANWUTKB-UHFFFAOYSA-N -1 0 319.317 -0.224 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC001601138145 1017808648 /nfs/dbraw/zinc/80/86/48/1017808648.db2.gz AECSSYQGJRMLKD-UHFFFAOYSA-N -1 0 302.283 -0.180 20 0 DBADRM NC(=O)C1(NS(=O)(=O)CCCCCC(=O)[O-])CCOCC1 ZINC001601138461 1017808745 /nfs/dbraw/zinc/80/87/45/1017808745.db2.gz GXTXXCPVWVDULC-UHFFFAOYSA-N -1 0 322.383 -0.415 20 0 DBADRM NC(=O)C1(C(=O)N2CCN(c3ncc(C(=O)[O-])cn3)CC2)CC1 ZINC001601140055 1017809208 /nfs/dbraw/zinc/80/92/08/1017809208.db2.gz UGLXONUZKACDNI-UHFFFAOYSA-N -1 0 319.321 -0.911 20 0 DBADRM NC(=O)C1(NCC(=O)Nc2cccc(C(=O)[O-])c2)CCOCC1 ZINC001601138911 1017809227 /nfs/dbraw/zinc/80/92/27/1017809227.db2.gz NUUWNBGAGXNXTG-UHFFFAOYSA-N -1 0 321.333 -0.053 20 0 DBADRM NC(=O)C1(C(=O)NCC2(Nc3ncc(C(=O)[O-])cn3)CC2)CC1 ZINC001601139823 1017809385 /nfs/dbraw/zinc/80/93/85/1017809385.db2.gz RWRWGZHRDZXYLA-UHFFFAOYSA-N -1 0 319.321 -0.499 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)/C=C/c2cc(C(=O)[O-])co2)C1 ZINC001601141593 1017809745 /nfs/dbraw/zinc/80/97/45/1017809745.db2.gz OIPCETMMNBSPTA-GPYPMJJRSA-N -1 0 307.262 -0.263 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001601140829 1017810001 /nfs/dbraw/zinc/81/00/01/1017810001.db2.gz DLJDVUJQKOWUKA-FYBVGQRMSA-N -1 0 307.310 -0.911 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)N2CCC(CC(=O)[O-])CC2)C1 ZINC001601140418 1017810149 /nfs/dbraw/zinc/81/01/49/1017810149.db2.gz AWRFCNOBAODCNB-SECBINFHSA-N -1 0 312.326 -0.487 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)Nc2cncc(C(=O)[O-])c2)O1 ZINC001601142058 1017810189 /nfs/dbraw/zinc/81/01/89/1017810189.db2.gz GCPPJQKDGZUMJQ-VHSXEESVSA-N -1 0 308.294 -0.066 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1 ZINC001601142280 1017810194 /nfs/dbraw/zinc/81/01/94/1017810194.db2.gz XACISHAQJYPUHT-IGORNWKESA-N -1 0 324.337 -0.585 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC001601141184 1017810237 /nfs/dbraw/zinc/81/02/37/1017810237.db2.gz IHIADJDQXRTHLP-JTQLQIEISA-N -1 0 321.289 -0.490 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)Nc2ccc(C(=O)[O-])nc2)O1 ZINC001601143019 1017810339 /nfs/dbraw/zinc/81/03/39/1017810339.db2.gz WYBOJMFVIMDKJY-SCZZXKLOSA-N -1 0 308.294 -0.066 20 0 DBADRM NC(=O)CC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601145040 1017810710 /nfs/dbraw/zinc/81/07/10/1017810710.db2.gz BHXAWMUZGZSZJN-MNOVXSKESA-N -1 0 323.349 -0.753 20 0 DBADRM NC(=O)CC(=O)N[C@H]1CCC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001601144953 1017811035 /nfs/dbraw/zinc/81/10/35/1017811035.db2.gz AGDAKDDGFBELRX-BDAKNGLRSA-N -1 0 321.337 -0.689 20 0 DBADRM NC(=O)CC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601145039 1017811141 /nfs/dbraw/zinc/81/11/41/1017811141.db2.gz BHXAWMUZGZSZJN-GHMZBOCLSA-N -1 0 323.349 -0.753 20 0 DBADRM NC(=O)CC(=O)N[C@@H]1CCC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001601144956 1017811213 /nfs/dbraw/zinc/81/12/13/1017811213.db2.gz AGDAKDDGFBELRX-RKDXNWHRSA-N -1 0 321.337 -0.689 20 0 DBADRM NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(C(=O)[O-])cn1 ZINC001601145022 1017811290 /nfs/dbraw/zinc/81/12/90/1017811290.db2.gz ANXJBUOUUKVWEY-BBBLOLIVSA-N -1 0 319.321 -0.724 20 0 DBADRM NC(=O)C[C@H](NC(=O)Cn1cc(C(=O)[O-])cn1)C1CCOCC1 ZINC001601145177 1017811722 /nfs/dbraw/zinc/81/17/22/1017811722.db2.gz DJYVOEQINPNUBY-NSHDSACASA-N -1 0 324.337 -0.632 20 0 DBADRM NC(=O)C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001601149026 1017811937 /nfs/dbraw/zinc/81/19/37/1017811937.db2.gz YNTMTDOZSRIVAV-SSDOTTSWSA-N -1 0 316.339 -0.616 20 0 DBADRM NC(=O)CC1CC(NS(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001601148248 1017812107 /nfs/dbraw/zinc/81/21/07/1017812107.db2.gz ORCIEQFOIBQSIW-UHFFFAOYSA-N -1 0 304.368 -0.185 20 0 DBADRM NC(=O)C[C@@H]1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001601147889 1017812372 /nfs/dbraw/zinc/81/23/72/1017812372.db2.gz LJYIGQWXLQQBLB-VIFPVBQESA-N -1 0 307.306 -0.730 20 0 DBADRM NC(=O)C[C@H]1CN([C@H]2CCCN(CCC(=O)[O-])C2=O)CCO1 ZINC001601147922 1017812460 /nfs/dbraw/zinc/81/24/60/1017812460.db2.gz IUTORKZJWOMONA-QWRGUYRKSA-N -1 0 313.354 -0.972 20 0 DBADRM NC(=O)C1CN(C(=O)Nc2nnc(CCCC(=O)[O-])s2)C1 ZINC001601146533 1017812577 /nfs/dbraw/zinc/81/25/77/1017812577.db2.gz RGIVMSSJQLXXLB-UHFFFAOYSA-N -1 0 313.339 -0.106 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)NCCc2ccc(C(=O)[O-])cc2)CCO1 ZINC001601147090 1017812727 /nfs/dbraw/zinc/81/27/27/1017812727.db2.gz YEBQFNAUGQCEDA-LBPRGKRZSA-N -1 0 321.333 -0.177 20 0 DBADRM NC(=O)CC(=O)NC[C@H]1CCCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001601147031 1017812772 /nfs/dbraw/zinc/81/27/72/1017812772.db2.gz ZKDZBTYSACUPCN-SECBINFHSA-N -1 0 321.337 -0.617 20 0 DBADRM NC(=O)COc1ccc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)cc1 ZINC001601151343 1017813083 /nfs/dbraw/zinc/81/30/83/1017813083.db2.gz DBVVOXOBLLMLPR-OAHLLOKOSA-N -1 0 322.317 -0.086 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2ccsc2C(=O)[O-])CC1=O ZINC001601151178 1017813158 /nfs/dbraw/zinc/81/31/58/1017813158.db2.gz RSOXUTZSWUODFY-UHFFFAOYSA-N -1 0 311.319 -0.784 20 0 DBADRM NC(=O)CN1CCC(NC(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC001601150886 1017813238 /nfs/dbraw/zinc/81/32/38/1017813238.db2.gz JVVUIZJKYLOVMV-UHFFFAOYSA-N -1 0 306.322 -0.541 20 0 DBADRM NC(=O)CCCCC(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001601149644 1017813380 /nfs/dbraw/zinc/81/33/80/1017813380.db2.gz UKTGIVMUSSBHJM-VHSXEESVSA-N -1 0 311.338 -0.920 20 0 DBADRM NC(=O)CCCC(=O)N1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001601149815 1017813608 /nfs/dbraw/zinc/81/36/08/1017813608.db2.gz QCDWQPLWMRBSKG-UHFFFAOYSA-N -1 0 321.337 -0.521 20 0 DBADRM NC(=O)COc1ccc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)cc1 ZINC001601151342 1017813684 /nfs/dbraw/zinc/81/36/84/1017813684.db2.gz DBVVOXOBLLMLPR-HNNXBMFYSA-N -1 0 322.317 -0.086 20 0 DBADRM NC(=O)COc1cccc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)c1 ZINC001601151864 1017813687 /nfs/dbraw/zinc/81/36/87/1017813687.db2.gz JDPHXYGNQCKMIC-HNNXBMFYSA-N -1 0 322.317 -0.086 20 0 DBADRM NC(=O)COc1ccc(NC(=O)C(=O)NC2(C(=O)[O-])CC2)cc1 ZINC001601152294 1017813775 /nfs/dbraw/zinc/81/37/75/1017813775.db2.gz SBHFTWRHYVNYAH-UHFFFAOYSA-N -1 0 321.289 -0.777 20 0 DBADRM NC(=O)CCCC(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001601150041 1017813797 /nfs/dbraw/zinc/81/37/97/1017813797.db2.gz YSTCMTQLERPUNV-UHFFFAOYSA-N -1 0 321.337 -0.687 20 0 DBADRM NC(=O)CSCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001601151491 1017813908 /nfs/dbraw/zinc/81/39/08/1017813908.db2.gz ANMWZHZMTTVCNG-QPUJVOFHSA-N -1 0 302.352 -0.845 20 0 DBADRM NC(=O)CSCC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001601152279 1017813988 /nfs/dbraw/zinc/81/39/88/1017813988.db2.gz OFJOBZSWTKUILG-LLVKDONJSA-N -1 0 301.324 -0.963 20 0 DBADRM NC(=O)Cn1cc(NC(=O)NC2CC(CC(=O)[O-])C2)ccc1=O ZINC001601154578 1017814301 /nfs/dbraw/zinc/81/43/01/1017814301.db2.gz PBLSAEVVDZEXIZ-UHFFFAOYSA-N -1 0 322.321 -0.292 20 0 DBADRM NC(=O)Cn1cc(C(=O)OCCc2ccccc2C(=O)[O-])nn1 ZINC001601153838 1017814350 /nfs/dbraw/zinc/81/43/50/1017814350.db2.gz YCIQKSHFZPXTSN-UHFFFAOYSA-N -1 0 318.289 -0.139 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])C1 ZINC001601154715 1017814392 /nfs/dbraw/zinc/81/43/92/1017814392.db2.gz UABMBMMMKXBNFY-BDAKNGLRSA-N -1 0 315.326 -0.891 20 0 DBADRM NC(=O)N[C@@H](CC(=O)N1CC(O)(C(=O)[O-])C1)c1ccccc1 ZINC001601155503 1017814652 /nfs/dbraw/zinc/81/46/52/1017814652.db2.gz JKMVSMZUSXEDFM-JTQLQIEISA-N -1 0 307.306 -0.556 20 0 DBADRM NC(=O)COc1cccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c1 ZINC001601152709 1017814752 /nfs/dbraw/zinc/81/47/52/1017814752.db2.gz VXYMFKYTXMVFKK-NEPJUHHUSA-N -1 0 322.317 -0.201 20 0 DBADRM NC(=O)N1CCC[C@H](C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])C1 ZINC001601154717 1017814920 /nfs/dbraw/zinc/81/49/20/1017814920.db2.gz UABMBMMMKXBNFY-IUCAKERBSA-N -1 0 315.326 -0.891 20 0 DBADRM NC(=O)NCCCCC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001601158376 1017815279 /nfs/dbraw/zinc/81/52/79/1017815279.db2.gz ZDIZGVPKZVCMKJ-VIFPVBQESA-N -1 0 324.341 -0.412 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccccc2CC(=O)[O-])O1 ZINC001601157314 1017815367 /nfs/dbraw/zinc/81/53/67/1017815367.db2.gz SZYAPMZECDMIKT-NWDGAFQWSA-N -1 0 306.318 -0.037 20 0 DBADRM NC(=O)NC[C@H]1CCCN(C(=O)NCCOCC(=O)[O-])C1 ZINC001601157511 1017815677 /nfs/dbraw/zinc/81/56/77/1017815677.db2.gz LPDKYNDHCXYNJO-SECBINFHSA-N -1 0 302.331 -0.823 20 0 DBADRM NC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001601158811 1017815742 /nfs/dbraw/zinc/81/57/42/1017815742.db2.gz VQIYZIIYXSLELK-SNVBAGLBSA-N -1 0 320.305 -0.408 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])O1 ZINC001601157243 1017816015 /nfs/dbraw/zinc/81/60/15/1017816015.db2.gz RYXQGBRRBWZWGQ-XWLWVQCSSA-N -1 0 314.338 -0.595 20 0 DBADRM NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC001601159463 1017816400 /nfs/dbraw/zinc/81/64/00/1017816400.db2.gz UUFGWQLXUALUKQ-ZETCQYMHSA-N -1 0 322.726 -0.837 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001601160054 1017816548 /nfs/dbraw/zinc/81/65/48/1017816548.db2.gz WLTHKJCIAUTHFF-JGVFFNPUSA-N -1 0 313.335 -0.288 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)NCCCNc1ncc(C(=O)[O-])cn1 ZINC001601159473 1017816611 /nfs/dbraw/zinc/81/66/11/1017816611.db2.gz VCJXWVHAYAJAOR-BDAKNGLRSA-N -1 0 307.310 -0.786 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001601159186 1017816713 /nfs/dbraw/zinc/81/67/13/1017816713.db2.gz DYYOMESNVXKLQJ-FTGAXOIBSA-N -1 0 310.350 -0.284 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1 ZINC001601160253 1017816801 /nfs/dbraw/zinc/81/68/01/1017816801.db2.gz HGTDKULLQRQASE-FKQCQYRASA-N -1 0 323.280 -0.158 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](C(=O)N[C@]2(CC(=O)[O-])CCCOC2)O1 ZINC001601159640 1017816841 /nfs/dbraw/zinc/81/68/41/1017816841.db2.gz CLHXOLSLUILXHL-ZDMBXUJBSA-N -1 0 300.311 -0.841 20 0 DBADRM NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001601159568 1017816961 /nfs/dbraw/zinc/81/69/61/1017816961.db2.gz ZEDWPBYGMALPGS-ZETCQYMHSA-N -1 0 322.726 -0.837 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC001601159598 1017817031 /nfs/dbraw/zinc/81/70/31/1017817031.db2.gz ASKIBZCBVOGZOG-AXFHLTTASA-N -1 0 313.354 -0.493 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@]2(CC(=O)[O-])CCOC2)S1 ZINC001601178737 1017820006 /nfs/dbraw/zinc/82/00/06/1017820006.db2.gz XGQCWJTXDUKZFZ-KBUNVGBDSA-N -1 0 301.324 -0.707 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cn1 ZINC001601164640 1017817574 /nfs/dbraw/zinc/81/75/74/1017817574.db2.gz QZRFCWNKVCQONY-PWSUYJOCSA-N -1 0 307.306 -0.841 20 0 DBADRM NC(=O)c1ccc(CC(=O)N[C@H](CC(F)F)C(=O)[O-])cn1 ZINC001601164747 1017817594 /nfs/dbraw/zinc/81/75/94/1017817594.db2.gz SSNUMNZAGHZAEJ-MRVPVSSYSA-N -1 0 301.249 -0.052 20 0 DBADRM NC(=O)c1ccc(/C=C\C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])o1 ZINC001601165122 1017817626 /nfs/dbraw/zinc/81/76/26/1017817626.db2.gz YDEGIXROPZLKJE-AGTKMAHGSA-N -1 0 308.290 -0.002 20 0 DBADRM NC(=O)c1ccc(NC(=O)Cn2cccc(C(=O)[O-])c2=O)cn1 ZINC001601166715 1017817752 /nfs/dbraw/zinc/81/77/52/1017817752.db2.gz TUZOOSNRYGRGHE-UHFFFAOYSA-N -1 0 316.273 -0.321 20 0 DBADRM NC(=O)c1ccc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1F ZINC001601166508 1017817871 /nfs/dbraw/zinc/81/78/71/1017817871.db2.gz MVEZZMUPJMPVNF-CYBMUJFWSA-N -1 0 311.269 -0.022 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])c1 ZINC001601168669 1017817919 /nfs/dbraw/zinc/81/79/19/1017817919.db2.gz HTCONURGRQRWIJ-VIFPVBQESA-N -1 0 304.299 -0.123 20 0 DBADRM NC(=O)c1csc(CNC(=O)Cn2ccc(C(=O)[O-])n2)n1 ZINC001601170978 1017818678 /nfs/dbraw/zinc/81/86/78/1017818678.db2.gz RKOLHNZPSCOCOC-UHFFFAOYSA-N -1 0 309.307 -0.547 20 0 DBADRM NC(=O)c1ncn(CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)n1 ZINC001601173101 1017818873 /nfs/dbraw/zinc/81/88/73/1017818873.db2.gz HTCQOHJXKLCIBG-KXUCPTDWSA-N -1 0 321.337 -0.521 20 0 DBADRM NC(=O)c1ncccc1C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001601172221 1017819471 /nfs/dbraw/zinc/81/94/71/1017819471.db2.gz OHJTUUGURCJPDJ-MRVPVSSYSA-N -1 0 309.278 -0.874 20 0 DBADRM NC(=O)c1ncn(CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)n1 ZINC001601173103 1017819482 /nfs/dbraw/zinc/81/94/82/1017819482.db2.gz HTCQOHJXKLCIBG-UTLUCORTSA-N -1 0 321.337 -0.521 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC001601171058 1017819600 /nfs/dbraw/zinc/81/96/00/1017819600.db2.gz TWRKHEQRBMASFQ-VIFPVBQESA-N -1 0 317.305 -0.189 20 0 DBADRM NC(=O)c1cccc(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)n1 ZINC001601169371 1017819614 /nfs/dbraw/zinc/81/96/14/1017819614.db2.gz VJNITJFQJGCPPC-AWEZNQCLSA-N -1 0 318.289 -0.374 20 0 DBADRM N=C1NC(=O)C(CC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])S1 ZINC001601177970 1017820490 /nfs/dbraw/zinc/82/04/90/1017820490.db2.gz HJJUSWJDWIYHIC-IUCAKERBSA-N -1 0 322.346 -0.250 20 0 DBADRM NCC(F)(F)CNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001601182179 1017821172 /nfs/dbraw/zinc/82/11/72/1017821172.db2.gz JDLLGVHWGAGDRP-GZMMTYOYSA-N -1 0 307.297 -0.287 20 0 DBADRM NS(=O)(=O)CCCC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001601192782 1017822265 /nfs/dbraw/zinc/82/22/65/1017822265.db2.gz DAQGRYHGMUQXJK-UHFFFAOYSA-N -1 0 308.356 -0.805 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001601192494 1017822878 /nfs/dbraw/zinc/82/28/78/1017822878.db2.gz NIIOKZQGNOUDAS-UHFFFAOYSA-N -1 0 312.347 -0.135 20 0 DBADRM NS(=O)(=O)C1(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC1 ZINC001601192489 1017822947 /nfs/dbraw/zinc/82/29/47/1017822947.db2.gz MZTAHGYORIRLBI-BXKDBHETSA-N -1 0 316.379 -0.089 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001601192932 1017823384 /nfs/dbraw/zinc/82/33/84/1017823384.db2.gz GGUAKJJMDRUBAF-UHFFFAOYSA-N -1 0 322.383 -0.727 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)OCC2(C(=O)[O-])CCC2)CC1 ZINC001601194496 1017823252 /nfs/dbraw/zinc/82/32/52/1017823252.db2.gz HWNWEXKJYIWWLB-UHFFFAOYSA-N -1 0 320.367 -0.300 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001601193900 1017823286 /nfs/dbraw/zinc/82/32/86/1017823286.db2.gz JSZARXGRCUDXBX-ALXWSUNGSA-N -1 0 316.379 -0.232 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001601193287 1017823323 /nfs/dbraw/zinc/82/33/23/1017823323.db2.gz SWBBCPIFTXAVMQ-SNVBAGLBSA-N -1 0 315.351 -0.738 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC001601193336 1017823437 /nfs/dbraw/zinc/82/34/37/1017823437.db2.gz VTQCUNNNBUPSLK-SNVBAGLBSA-N -1 0 322.383 -0.559 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001601194632 1017823863 /nfs/dbraw/zinc/82/38/63/1017823863.db2.gz UUQSXGBXSPAVFR-QMMMGPOBSA-N -1 0 313.335 -0.470 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001601194604 1017824021 /nfs/dbraw/zinc/82/40/21/1017824021.db2.gz UFHQUSLMWBVIPV-MRVPVSSYSA-N -1 0 315.351 -0.146 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCCOCC(=O)[O-])c(F)c1 ZINC001601196758 1017824410 /nfs/dbraw/zinc/82/44/10/1017824410.db2.gz LZAQCDDUTCXPAS-UHFFFAOYSA-N -1 0 320.298 -0.696 20 0 DBADRM NS(=O)(=O)c1cc(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)co1 ZINC001601196395 1017824462 /nfs/dbraw/zinc/82/44/62/1017824462.db2.gz GSLDWWILTVFVRF-RKDXNWHRSA-N -1 0 304.324 -0.806 20 0 DBADRM NS(=O)(=O)Cc1cccc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC001601194699 1017824565 /nfs/dbraw/zinc/82/45/65/1017824565.db2.gz OUBQPAONEOJSCG-GDNZZTSVSA-N -1 0 324.358 -0.122 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CC2)c(F)c1 ZINC001601196567 1017824651 /nfs/dbraw/zinc/82/46/51/1017824651.db2.gz AFMDXLFVAHQPOE-UHFFFAOYSA-N -1 0 302.283 -0.180 20 0 DBADRM NS(=O)(=O)N1CCN([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC001601195347 1017824695 /nfs/dbraw/zinc/82/46/95/1017824695.db2.gz QFVGCTYUNNPQLC-JTQLQIEISA-N -1 0 300.340 -0.972 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)CC(=O)[O-])c(F)c1 ZINC001601197120 1017824734 /nfs/dbraw/zinc/82/47/34/1017824734.db2.gz RFBJOQCKEFMNSY-LURJTMIESA-N -1 0 320.298 -0.962 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1 ZINC001601197380 1017825041 /nfs/dbraw/zinc/82/50/41/1017825041.db2.gz XBPXPGFTPOPPMM-URLYPYJESA-N -1 0 310.331 -0.263 20 0 DBADRM NS(=O)(=O)c1cc(CN2CCC[C@@H](O)[C@H]2C(=O)[O-])co1 ZINC001601196984 1017825146 /nfs/dbraw/zinc/82/51/46/1017825146.db2.gz XYFZBOHVHLXVAD-SCZZXKLOSA-N -1 0 304.324 -0.663 20 0 DBADRM NS(=O)(=O)NC1CCN(C(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC001601194974 1017825224 /nfs/dbraw/zinc/82/52/24/1017825224.db2.gz AIHKUCSTJXNDNR-UHFFFAOYSA-N -1 0 316.339 -0.889 20 0 DBADRM NS(=O)(=O)c1ccc(OCC(=O)NC[C@H](F)C(=O)[O-])cc1 ZINC001601199648 1017825924 /nfs/dbraw/zinc/82/59/24/1017825924.db2.gz CMRCCMRHZDNLJN-VIFPVBQESA-N -1 0 320.298 -0.748 20 0 DBADRM NS(=O)(=O)c1ccsc1C(=O)N[C@H](CCF)C(=O)[O-] ZINC001601201807 1017826380 /nfs/dbraw/zinc/82/63/80/1017826380.db2.gz NKBHZLADWRRTBU-RXMQYKEDSA-N -1 0 310.328 -0.062 20 0 DBADRM Nc1cccnc1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001601219226 1017826881 /nfs/dbraw/zinc/82/68/81/1017826881.db2.gz XYBVBIVQSRWULT-OAHLLOKOSA-N -1 0 320.349 -0.335 20 0 DBADRM Nc1cc(Br)cc(C(=O)N[C@@H](CO)C(=O)[O-])c1N ZINC001601212095 1017826964 /nfs/dbraw/zinc/82/69/64/1017826964.db2.gz BHBVTQPJHLROTE-ZETCQYMHSA-N -1 0 318.127 -0.211 20 0 DBADRM Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[C@@H]1C(=O)[O-] ZINC001601217564 1017827048 /nfs/dbraw/zinc/82/70/48/1017827048.db2.gz NVGHMUMZWATSQG-SECBINFHSA-N -1 0 313.335 -0.767 20 0 DBADRM Nc1cc(F)c(F)cc1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001601213162 1017827067 /nfs/dbraw/zinc/82/70/67/1017827067.db2.gz GNYWQCQKTIOFCH-SNVBAGLBSA-N -1 0 313.260 -0.038 20 0 DBADRM Nc1cccc(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1 ZINC001601217096 1017827120 /nfs/dbraw/zinc/82/71/20/1017827120.db2.gz DAMPMDSBPHWSBJ-PSASIEDQSA-N -1 0 300.336 -0.275 20 0 DBADRM Nc1ccccc1S(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001601217494 1017827136 /nfs/dbraw/zinc/82/71/36/1017827136.db2.gz LTDPKOOHELAFNN-UHFFFAOYSA-N -1 0 323.334 -0.196 20 0 DBADRM Nc1n[nH]c(CNC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)n1 ZINC001601219118 1017827182 /nfs/dbraw/zinc/82/71/82/1017827182.db2.gz WRWZKBJLEPAGAF-VIFPVBQESA-N -1 0 322.247 -0.065 20 0 DBADRM Nc1ccc(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])nc1 ZINC001601215472 1017827388 /nfs/dbraw/zinc/82/73/88/1017827388.db2.gz AKLICKRZVSJOJW-UHFFFAOYSA-N -1 0 322.365 -0.548 20 0 DBADRM Nc1ncnc2c1ncn2CCCC(=O)N[C@@H](CF)C(=O)[O-] ZINC001601222390 1017828015 /nfs/dbraw/zinc/82/80/15/1017828015.db2.gz WJOCNVHCFOLKEP-ZETCQYMHSA-N -1 0 310.289 -0.272 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC001601221880 1017828264 /nfs/dbraw/zinc/82/82/64/1017828264.db2.gz FIXHZZQKSLXGTC-QMMMGPOBSA-N -1 0 304.310 -0.126 20 0 DBADRM Nc1ncn(CC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)n1 ZINC001601222439 1017828290 /nfs/dbraw/zinc/82/82/90/1017828290.db2.gz YOSKAGZJGIHBEG-VIFPVBQESA-N -1 0 307.232 -0.274 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601222308 1017828387 /nfs/dbraw/zinc/82/83/87/1017828387.db2.gz REXAFSOYWBUPRH-OIBJUYFYSA-N -1 0 320.309 -0.843 20 0 DBADRM Nc1nc(Cl)c(N)c(N2CCC([C@@H](O)C(=O)[O-])CC2)n1 ZINC001601220120 1017828467 /nfs/dbraw/zinc/82/84/67/1017828467.db2.gz CPNNMRBZXGMDPK-SSDOTTSWSA-N -1 0 301.734 -0.044 20 0 DBADRM Nc1ncc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])cn1 ZINC001601221315 1017828622 /nfs/dbraw/zinc/82/86/22/1017828622.db2.gz UFHUWHHAKBBFLR-ZCFIWIBFSA-N -1 0 308.266 -0.458 20 0 DBADRM Nc1nc(C2CC2)ncc1C(=O)OCC(=O)NCCC(=O)[O-] ZINC001601220327 1017828713 /nfs/dbraw/zinc/82/87/13/1017828713.db2.gz WNLBCCHQCNYUAW-UHFFFAOYSA-N -1 0 308.294 -0.316 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001601228437 1017829946 /nfs/dbraw/zinc/82/99/46/1017829946.db2.gz PECLMDMBSAVEBW-KCJUWKMLSA-N -1 0 310.272 -0.081 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001601228438 1017829210 /nfs/dbraw/zinc/82/92/10/1017829210.db2.gz PECLMDMBSAVEBW-KWQFWETISA-N -1 0 310.272 -0.081 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC001601227575 1017829304 /nfs/dbraw/zinc/82/93/04/1017829304.db2.gz JTMGPJJNPQORIA-ZDUSSCGKSA-N -1 0 319.361 -0.049 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)C1 ZINC001601227671 1017829419 /nfs/dbraw/zinc/82/94/19/1017829419.db2.gz VFTCQOHTKYRXMC-VIFPVBQESA-N -1 0 322.292 -0.164 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)/C=C\Cn1cncn1 ZINC001601231712 1017829427 /nfs/dbraw/zinc/82/94/27/1017829427.db2.gz OSDZPHSOPWKFEJ-SYBPUXJVSA-N -1 0 310.310 -0.443 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001601228302 1017829446 /nfs/dbraw/zinc/82/94/46/1017829446.db2.gz NKSMMJQDBZJHIF-AUTRQRHGSA-N -1 0 302.352 -0.609 20 0 DBADRM Nc1nnn(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)n1 ZINC001601224594 1017829618 /nfs/dbraw/zinc/82/96/18/1017829618.db2.gz PIUFRLPKAGWZQJ-GUBZILKMSA-N -1 0 308.342 -0.253 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1=NN(CCO)C(=O)CC1)C2 ZINC001601226978 1017829932 /nfs/dbraw/zinc/82/99/32/1017829932.db2.gz VHSBBFPBGRMQKM-BONVTDFDSA-N -1 0 323.349 -0.330 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)/C=C/c1ccc2c(c1)NC(=O)CO2 ZINC001601240104 1017830090 /nfs/dbraw/zinc/83/00/90/1017830090.db2.gz JTXZHFIJZDAIHQ-YWNRKNDBSA-N -1 0 306.274 -0.408 20 0 DBADRM O=C(C[C@@H]1CCCS1(=O)=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001601255219 1017830125 /nfs/dbraw/zinc/83/01/25/1017830125.db2.gz HLEDGMKUGZUAOI-GARJFASQSA-N -1 0 319.379 -0.193 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)CC2(O)CCC2)nc1 ZINC001601247000 1017830176 /nfs/dbraw/zinc/83/01/76/1017830176.db2.gz KNIYOYIWKGGKOB-JTQLQIEISA-N -1 0 324.337 -0.631 20 0 DBADRM O=C([O-])c1coc(/C=C\C(=O)N[C@@H](CO)CN2CCOCC2)c1 ZINC001601234349 1017831027 /nfs/dbraw/zinc/83/10/27/1017831027.db2.gz XAYUWQCTCUBIBI-UDSFMNFJSA-N -1 0 324.333 -0.200 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)NC[C@@H]2CN3CCN2CC3)n1 ZINC001601272613 1017831160 /nfs/dbraw/zinc/83/11/60/1017831160.db2.gz JOPFFENENGZOAS-GFCCVEGCSA-N -1 0 321.381 -0.523 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)CCCCc1cn[nH]n1 ZINC001601264426 1017831458 /nfs/dbraw/zinc/83/14/58/1017831458.db2.gz PJJOWGDZRLUPTH-SNVBAGLBSA-N -1 0 312.326 -0.150 20 0 DBADRM O=C([O-])c1ccccc1CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001601264941 1017831824 /nfs/dbraw/zinc/83/18/24/1017831824.db2.gz PEYCIOTWZLRKMW-JTQLQIEISA-N -1 0 305.290 -0.011 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC001601257648 1017832082 /nfs/dbraw/zinc/83/20/82/1017832082.db2.gz YWTMTPAPYRRODE-NSHDSACASA-N -1 0 319.379 -0.193 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCN1C(=O)CCc2ccccc21 ZINC001601275294 1017832376 /nfs/dbraw/zinc/83/23/76/1017832376.db2.gz AYFYGDMNNCRBSG-NSHDSACASA-N -1 0 306.318 -0.082 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N[C@@]2(CCO)CCOC2)C1 ZINC001601283601 1017832456 /nfs/dbraw/zinc/83/24/56/1017832456.db2.gz HNVMRSGFQRJZEE-WDMOLILDSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)CCS(=O)(=O)C2CCCC2)C1 ZINC001601283138 1017832464 /nfs/dbraw/zinc/83/24/64/1017832464.db2.gz NMGXZZOYIGDYCU-CYBMUJFWSA-N -1 0 319.379 -0.218 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)N[C@@H]1CCCS(=O)(=O)C1 ZINC001601283984 1017832491 /nfs/dbraw/zinc/83/24/91/1017832491.db2.gz BFNLAAJCWCTZAF-HBNTYKKESA-N -1 0 319.379 -0.050 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)OCC(=O)N1CCCC1=O ZINC001601286318 1017833270 /nfs/dbraw/zinc/83/32/70/1017833270.db2.gz VUDWHANXPIVSCP-VHSXEESVSA-N -1 0 313.306 -0.052 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCCNC(=O)CCn1cncn1 ZINC001601300745 1017833569 /nfs/dbraw/zinc/83/35/69/1017833569.db2.gz NWLXXAPJESDPGQ-UWVGGRQHSA-N -1 0 309.326 -0.989 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)c1cccnc1 ZINC001601300413 1017834015 /nfs/dbraw/zinc/83/40/15/1017834015.db2.gz QXJKJSLHMYOQBV-LLVKDONJSA-N -1 0 318.289 -0.736 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)CCc1cn[nH]c1 ZINC001601293921 1017834173 /nfs/dbraw/zinc/83/41/73/1017834173.db2.gz OPXMVYJELQBMMA-NUYITTKVSA-N -1 0 320.349 -0.148 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)CCn2cncn2)C1 ZINC001601300711 1017834338 /nfs/dbraw/zinc/83/43/38/1017834338.db2.gz MYAQISFHNNDKHX-LMLFDSFASA-N -1 0 321.337 -0.848 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC001601294183 1017834417 /nfs/dbraw/zinc/83/44/17/1017834417.db2.gz BFLZPVZBFQQJFR-SNVBAGLBSA-N -1 0 305.290 -0.170 20 0 DBADRM O=C([O-])[C@]1(O)CCN(CC(=O)NCC(=O)c2cccs2)C1 ZINC001601303961 1017834835 /nfs/dbraw/zinc/83/48/35/1017834835.db2.gz JGTAXDLHVHVFGA-ZDUSSCGKSA-N -1 0 312.347 -0.432 20 0 DBADRM O=C(CN1CCC(CO)CC1)NCC1(C(=O)[O-])CCOCC1 ZINC001601306029 1017834907 /nfs/dbraw/zinc/83/49/07/1017834907.db2.gz VYLQUZUVXPQSPO-UHFFFAOYSA-N -1 0 314.382 -0.312 20 0 DBADRM O=C([O-])c1cnc(CCNC(=O)CN2C(=O)CNC2=O)s1 ZINC001601302656 1017834930 /nfs/dbraw/zinc/83/49/30/1017834930.db2.gz SHSUIALDZHETNJ-UHFFFAOYSA-N -1 0 312.307 -0.948 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC001601303569 1017834999 /nfs/dbraw/zinc/83/49/99/1017834999.db2.gz ANUMTWLZVLRIRS-OAHLLOKOSA-N -1 0 322.317 -0.082 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)Nc2nncn2C2CC2)C1=O ZINC001601309863 1017836061 /nfs/dbraw/zinc/83/60/61/1017836061.db2.gz IMFQXVPXPJESCW-VIFPVBQESA-N -1 0 307.310 -0.125 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@@H]2CCn3cncc3C2)C1=O ZINC001601308299 1017836166 /nfs/dbraw/zinc/83/61/66/1017836166.db2.gz LBIFFETWABZGHO-ZYHUDNBSSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C(CN1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1)NCC1CC1 ZINC001601306475 1017836365 /nfs/dbraw/zinc/83/63/65/1017836365.db2.gz QLSLEDPWPJQCQK-VXGBXAGGSA-N -1 0 309.366 -0.719 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(CC(=O)NCc2cccnc2)CC1 ZINC001601306662 1017836483 /nfs/dbraw/zinc/83/64/83/1017836483.db2.gz XTYBKARKUKFAGS-AWEZNQCLSA-N -1 0 307.350 -0.145 20 0 DBADRM O=C(CN1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1)NCC1CC1 ZINC001601306471 1017836545 /nfs/dbraw/zinc/83/65/45/1017836545.db2.gz QLSLEDPWPJQCQK-NEPJUHHUSA-N -1 0 309.366 -0.719 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NCc2cc(=O)c(O)co2)C1=O ZINC001601309551 1017836702 /nfs/dbraw/zinc/83/67/02/1017836702.db2.gz BQVOUBNLIIZJCM-VIFPVBQESA-N -1 0 324.289 -0.715 20 0 DBADRM O=C(CN1CCCCC(=O)C1=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001601313381 1017836915 /nfs/dbraw/zinc/83/69/15/1017836915.db2.gz FQLIHZPSUKDQQE-FTGAXOIBSA-N -1 0 308.334 -0.063 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCCCC(=O)C1=O)c1cccnc1 ZINC001601315456 1017837260 /nfs/dbraw/zinc/83/72/60/1017837260.db2.gz ZYWJBJXZZZYHKR-CYBMUJFWSA-N -1 0 319.317 -0.095 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CN2CCCCC(=O)C2=O)cn1 ZINC001601314551 1017837296 /nfs/dbraw/zinc/83/72/96/1017837296.db2.gz OQOHRLQHBWRLHL-UHFFFAOYSA-N -1 0 319.317 -0.022 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CN1CCOCC1=O)Cc1ccccc1 ZINC001601316446 1017838011 /nfs/dbraw/zinc/83/80/11/1017838011.db2.gz DDXVTBDXEVDTOC-CYBMUJFWSA-N -1 0 320.345 -0.095 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CN1CCNCC1=O)c1ccccc1 ZINC001601316924 1017838063 /nfs/dbraw/zinc/83/80/63/1017838063.db2.gz XLYFSYDKFTUOBI-GFCCVEGCSA-N -1 0 305.334 -0.597 20 0 DBADRM O=C([O-])c1cc(CN2CCN(CC(=O)NC3CC3)CC2)on1 ZINC001601315881 1017838143 /nfs/dbraw/zinc/83/81/43/1017838143.db2.gz FWGXUOVHZRPLLS-UHFFFAOYSA-N -1 0 308.338 -0.231 20 0 DBADRM O=C(CN1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1)NCC1CC1 ZINC001601315564 1017838188 /nfs/dbraw/zinc/83/81/88/1017838188.db2.gz PENOOZOHLDXJDO-QWHCGFSZSA-N -1 0 323.393 -0.232 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCOCC1=O)c1cccc(O)c1 ZINC001601317072 1017838265 /nfs/dbraw/zinc/83/82/65/1017838265.db2.gz SVOXPUBANMSNNK-ZDUSSCGKSA-N -1 0 308.290 -0.507 20 0 DBADRM O=C(CN1CCCNS1(=O)=O)NC1(C(=O)[O-])CCCCC1 ZINC001601315774 1017838274 /nfs/dbraw/zinc/83/82/74/1017838274.db2.gz ZHRUEQWEMLRKFQ-UHFFFAOYSA-N -1 0 319.383 -0.570 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)CN1CCN(c2ccccn2)CC1 ZINC001601316026 1017838334 /nfs/dbraw/zinc/83/83/34/1017838334.db2.gz OQLPIXIZCWNLAX-NSHDSACASA-N -1 0 310.329 -0.258 20 0 DBADRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)CN1CCCS1(=O)=O ZINC001601315718 1017838459 /nfs/dbraw/zinc/83/84/59/1017838459.db2.gz WRTVXDNUSYWOBV-LURJTMIESA-N -1 0 318.273 -0.456 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CN2CCOCC2=O)c(F)c1 ZINC001601317064 1017838569 /nfs/dbraw/zinc/83/85/69/1017838569.db2.gz SPJPZUHVQQGBAM-UHFFFAOYSA-N -1 0 310.281 -0.001 20 0 DBADRM O=C([O-])[C@H]1[C@H](CN2CCN(CC(=O)NC3CC3)CC2)C1(F)F ZINC001601315913 1017838675 /nfs/dbraw/zinc/83/86/75/1017838675.db2.gz HZXMAEFUPLKCIE-CMPLNLGQSA-N -1 0 317.336 -0.152 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)CN1CCOCC1=O ZINC001601316486 1017838681 /nfs/dbraw/zinc/83/86/81/1017838681.db2.gz DSYQOMARDGRELG-VIFPVBQESA-N -1 0 322.321 -0.609 20 0 DBADRM O=C(CN1CCOC[C@H]1CCO)NC1(C(=O)[O-])CCCCC1 ZINC001601316605 1017838854 /nfs/dbraw/zinc/83/88/54/1017838854.db2.gz FNABBVXWDJOPTH-GFCCVEGCSA-N -1 0 314.382 -0.027 20 0 DBADRM O=C(CNC(=O)N1CCCC1)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001601322043 1017839364 /nfs/dbraw/zinc/83/93/64/1017839364.db2.gz XYYVRVMYJBXWEL-GHMZBOCLSA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(NCC(=O)Nc2ccon2)CC1 ZINC001601326089 1017840055 /nfs/dbraw/zinc/84/00/55/1017840055.db2.gz KWJFIHMSMZMFDJ-RKDXNWHRSA-N -1 0 322.321 -0.428 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)CNS(=O)(=O)c1cccs1 ZINC001601327221 1017840249 /nfs/dbraw/zinc/84/02/49/1017840249.db2.gz JNFASMGSVWDSNL-LURJTMIESA-N -1 0 310.328 -0.435 20 0 DBADRM O=C([O-])c1cccc(NC(=O)COC(=O)CN2CCCC2=O)n1 ZINC001601332705 1017840357 /nfs/dbraw/zinc/84/03/57/1017840357.db2.gz HYZOZGUQTAIUSR-UHFFFAOYSA-N -1 0 321.289 -0.116 20 0 DBADRM O=C(COC[C@H]1CCCO1)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001601337533 1017840517 /nfs/dbraw/zinc/84/05/17/1017840517.db2.gz AWBLNYWGEZAYSI-MNOVXSKESA-N -1 0 317.338 -0.096 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CCNC(=O)CO)c1ccc(F)cc1 ZINC001601330126 1017840592 /nfs/dbraw/zinc/84/05/92/1017840592.db2.gz MPIJCLAKSGJDCH-LLVKDONJSA-N -1 0 312.297 -0.391 20 0 DBADRM O=C([O-])c1ncccc1S(=O)(=O)NCC(=O)NCC(F)F ZINC001601327885 1017840926 /nfs/dbraw/zinc/84/09/26/1017840926.db2.gz YIDBAGKOLBLDFX-UHFFFAOYSA-N -1 0 323.277 -0.561 20 0 DBADRM O=C([O-])C1(NC(=O)COC(F)(F)F)CCS(=O)(=O)CC1 ZINC001601337078 1017841093 /nfs/dbraw/zinc/84/10/93/1017841093.db2.gz IRDKOUHOBQVXOV-UHFFFAOYSA-N -1 0 319.257 -0.329 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC001601328437 1017841132 /nfs/dbraw/zinc/84/11/32/1017841132.db2.gz SKHWLWDOAHJEAM-VIFPVBQESA-N -1 0 322.289 -0.357 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CNC(=O)Cc2ccc(O)cc2)CCO1 ZINC001601361031 1017841606 /nfs/dbraw/zinc/84/16/06/1017841606.db2.gz FPLRRDGMEPAXDO-GFCCVEGCSA-N -1 0 322.317 -0.637 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NC[C@@H]2CN3CCN2CC3)cn1 ZINC001601358637 1017841664 /nfs/dbraw/zinc/84/16/64/1017841664.db2.gz WHJDYHXQNHSTMD-GFCCVEGCSA-N -1 0 304.350 -0.562 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CC1C(=O)N=CNC1=O)c1ccccn1 ZINC001601352057 1017841771 /nfs/dbraw/zinc/84/17/71/1017841771.db2.gz GUTFJAJVQKDNOD-JTQLQIEISA-N -1 0 304.262 -0.233 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)COc1ccc2ccc(=O)oc2c1 ZINC001601342676 1017841983 /nfs/dbraw/zinc/84/19/83/1017841983.db2.gz BDATZXGJBZAQSR-JTQLQIEISA-N -1 0 307.258 -0.267 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)Cc1ccccc1N1CCCC1=O ZINC001601369053 1017842503 /nfs/dbraw/zinc/84/25/03/1017842503.db2.gz CBDWETHYUXBBKO-LLVKDONJSA-N -1 0 306.318 -0.082 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(C(=O)C2CCC2)C1 ZINC001498640636 1017842639 /nfs/dbraw/zinc/84/26/39/1017842639.db2.gz IGEFBKBXJNCFAI-UHFFFAOYSA-N -1 0 309.326 -0.936 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001601370786 1017842753 /nfs/dbraw/zinc/84/27/53/1017842753.db2.gz CYMIBFYFUXWKLG-HKWIRBFKSA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc[nH]1 ZINC001601362926 1017842958 /nfs/dbraw/zinc/84/29/58/1017842958.db2.gz IAMZMQLALUKDBJ-MOWSAHLDSA-N -1 0 317.345 -0.149 20 0 DBADRM O=C([O-])c1cccc(CC(=O)NC[C@@]2(CO)COCCN2)c1 ZINC001601363726 1017843020 /nfs/dbraw/zinc/84/30/20/1017843020.db2.gz KGGMQQSKGAKFNE-OAHLLOKOSA-N -1 0 308.334 -0.606 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCNC(=O)Cc1cccnc1 ZINC001601369785 1017843142 /nfs/dbraw/zinc/84/31/42/1017843142.db2.gz JHZRLHBGZRSKLJ-VXGBXAGGSA-N -1 0 305.334 -0.033 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc[nH]1 ZINC001601362929 1017843192 /nfs/dbraw/zinc/84/31/92/1017843192.db2.gz IAMZMQLALUKDBJ-ZXPJVPCYSA-N -1 0 317.345 -0.149 20 0 DBADRM O=C([O-])[C@H](CNC(=O)Cc1nc2ncccn2n1)[C@H]1CCOC1 ZINC001601375984 1017843824 /nfs/dbraw/zinc/84/38/24/1017843824.db2.gz HTXIKSXBKNDCLN-VHSXEESVSA-N -1 0 319.321 -0.480 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NCc2cnc3n2CCOC3)c1 ZINC001601380083 1017844037 /nfs/dbraw/zinc/84/40/37/1017844037.db2.gz RAQILQPJACOXFY-UHFFFAOYSA-N -1 0 305.294 -0.376 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NCC2CCS(=O)(=O)CC2)c1 ZINC001601379625 1017844081 /nfs/dbraw/zinc/84/40/81/1017844081.db2.gz CAQGIZPXQNHSIO-UHFFFAOYSA-N -1 0 315.351 -0.478 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001601376340 1017844226 /nfs/dbraw/zinc/84/42/26/1017844226.db2.gz SBBHKKCMFXAWCE-YTWAJWBKSA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NCCC(=O)Nc2ncc[nH]2)c1 ZINC001601380573 1017845076 /nfs/dbraw/zinc/84/50/76/1017845076.db2.gz ZBRFIWVUFDVIHW-UHFFFAOYSA-N -1 0 306.282 -0.551 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@@H]2Cc3ccccc3[C@H]2O)nn1 ZINC001601381780 1017845098 /nfs/dbraw/zinc/84/50/98/1017845098.db2.gz HMSGKALXNYARCN-ZWNOBZJWSA-N -1 0 302.290 -0.249 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)c1 ZINC001601380501 1017845384 /nfs/dbraw/zinc/84/53/84/1017845384.db2.gz XVJVWNZFUBPQOH-SNVBAGLBSA-N -1 0 308.294 -0.319 20 0 DBADRM O=C([O-])c1cnn(CC(=O)OCCNC(=O)c2ccncc2)c1 ZINC001601380765 1017845661 /nfs/dbraw/zinc/84/56/61/1017845661.db2.gz QOLWALSMFJIULB-UHFFFAOYSA-N -1 0 318.289 -0.051 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCc2cc(=O)c(O)co2)c1=O ZINC001601389052 1017845955 /nfs/dbraw/zinc/84/59/55/1017845955.db2.gz YPHVRJWEKRQYFX-UHFFFAOYSA-N -1 0 320.257 -0.478 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)Cn1ccc2ccccc2c1=O ZINC001601386924 1017846107 /nfs/dbraw/zinc/84/61/07/1017846107.db2.gz RCXHTNVNOKKTLL-LBPRGKRZSA-N -1 0 304.302 -0.047 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(NC(=O)Cn2cccn2)CCC1 ZINC001601389336 1017846143 /nfs/dbraw/zinc/84/61/43/1017846143.db2.gz KXIZSPQJDDHGAD-MNOVXSKESA-N -1 0 320.349 -0.241 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NC[C@H](O)C(F)(F)F)c1=O ZINC001601388225 1017846281 /nfs/dbraw/zinc/84/62/81/1017846281.db2.gz JYVNQHZUGVKANK-ZETCQYMHSA-N -1 0 308.212 -0.414 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)Cn1cccn1 ZINC001601389166 1017846444 /nfs/dbraw/zinc/84/64/44/1017846444.db2.gz FPDFRUBLEBUWRV-COUIAZAYSA-N -1 0 306.322 -0.608 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c1=O ZINC001601389061 1017846452 /nfs/dbraw/zinc/84/64/52/1017846452.db2.gz YXCAKZJNUFJERG-SCVCMEIPSA-N -1 0 322.317 -0.533 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)Cn3cccn3)CC2)n1 ZINC001601389296 1017846549 /nfs/dbraw/zinc/84/65/49/1017846549.db2.gz JIULUZNJBCMXQN-UHFFFAOYSA-N -1 0 316.321 -0.446 20 0 DBADRM O=C([O-])c1nc(Cl)n(CC(=O)N[C@H]2CCSC2=O)n1 ZINC001601391340 1017846988 /nfs/dbraw/zinc/84/69/88/1017846988.db2.gz WTTRFLZJFJYHBQ-BYPYZUCNSA-N -1 0 304.715 -0.222 20 0 DBADRM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)Cn2ncnn2)C1 ZINC001601391554 1017847193 /nfs/dbraw/zinc/84/71/93/1017847193.db2.gz MDVLBLYDLDLXRG-AWEZNQCLSA-N -1 0 301.306 -0.072 20 0 DBADRM O=C([O-])C12CC(C1)CN2C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001601390798 1017847245 /nfs/dbraw/zinc/84/72/45/1017847245.db2.gz BZMJTOXRAYHWHP-UHFFFAOYSA-N -1 0 306.322 -0.543 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCCC2)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001601390766 1017847393 /nfs/dbraw/zinc/84/73/93/1017847393.db2.gz AFGANZBBFMJXTP-ZJUUUORDSA-N -1 0 308.338 -0.249 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1ncc2c(F)cccn21 ZINC001601429774 1017847652 /nfs/dbraw/zinc/84/76/52/1017847652.db2.gz VDGYRQSWLMMFET-SECBINFHSA-N -1 0 318.268 -0.052 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)c1cnn2ncccc12 ZINC001601425666 1017847692 /nfs/dbraw/zinc/84/76/92/1017847692.db2.gz GUTSGINOPFDFBA-JTQLQIEISA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])c1nc(C(=O)N[C@@H](CO)CC2OCCO2)cs1 ZINC001601420014 1017847825 /nfs/dbraw/zinc/84/78/25/1017847825.db2.gz KSOZBOGWJSOJJN-ZCFIWIBFSA-N -1 0 302.308 -0.305 20 0 DBADRM O=C([O-])C1(NC(=O)c2ccc(-n3cncn3)nc2)CC(CO)C1 ZINC001601427328 1017847891 /nfs/dbraw/zinc/84/78/91/1017847891.db2.gz LNNLIRGXTSAVSI-UHFFFAOYSA-N -1 0 317.305 -0.382 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001601428642 1017847915 /nfs/dbraw/zinc/84/79/15/1017847915.db2.gz MECGYXWMWWVZFF-GZMMTYOYSA-N -1 0 304.310 -0.624 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001601426225 1017847942 /nfs/dbraw/zinc/84/79/42/1017847942.db2.gz VGKIUAAYZAZKHS-MNOVXSKESA-N -1 0 303.322 -0.088 20 0 DBADRM O=C([O-])[C@]1(F)CCN(S(=O)(=O)N=S2(=O)CCCC2)C1 ZINC001601717732 1017868910 /nfs/dbraw/zinc/86/89/10/1017868910.db2.gz AUADHFXYIHBDIS-VIFPVBQESA-N -1 0 314.360 -0.008 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001601426201 1017848147 /nfs/dbraw/zinc/84/81/47/1017848147.db2.gz UQUWGXBHOKRWNB-RKDXNWHRSA-N -1 0 320.309 -0.988 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)c1cnn2ncccc12 ZINC001601425667 1017848349 /nfs/dbraw/zinc/84/83/49/1017848349.db2.gz GUTSGINOPFDFBA-SNVBAGLBSA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC2CC3(CCC3)C2)C1 ZINC001601435860 1017848991 /nfs/dbraw/zinc/84/89/91/1017848991.db2.gz POLRJMHTNDSXLG-KOLCDFICSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@@H]2C(=O)NCC23CCOCC3)ccn1 ZINC001601434217 1017849018 /nfs/dbraw/zinc/84/90/18/1017849018.db2.gz HZGOZKAUNIXYLA-LLVKDONJSA-N -1 0 319.317 -0.195 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H]2CCC(F)(F)C2)CCO1 ZINC001601436706 1017849033 /nfs/dbraw/zinc/84/90/33/1017849033.db2.gz CVCSPYDUCXCSJI-JGVFFNPUSA-N -1 0 306.265 -0.398 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCOC[C@H]1O ZINC001601441427 1017849095 /nfs/dbraw/zinc/84/90/95/1017849095.db2.gz RQNHKSZBUGMBSM-YGOYTEALSA-N -1 0 324.337 -0.135 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC001601436860 1017849136 /nfs/dbraw/zinc/84/91/36/1017849136.db2.gz IALUJGNXYNHUEX-ZRUFSTJUSA-N -1 0 323.349 -0.765 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCOC[C@H]1O ZINC001601441426 1017849550 /nfs/dbraw/zinc/84/95/50/1017849550.db2.gz RQNHKSZBUGMBSM-KBVBSXBZSA-N -1 0 324.337 -0.135 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2cccc(=O)[nH]2)C1 ZINC001601447692 1017849989 /nfs/dbraw/zinc/84/99/89/1017849989.db2.gz IZCUOHOHABDHBQ-IUCAKERBSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C1 ZINC001601444038 1017850039 /nfs/dbraw/zinc/85/00/39/1017850039.db2.gz GJWZCDAITUDKOQ-BXKDBHETSA-N -1 0 300.311 -0.835 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)CNC(=O)c2cccc(O)c2)C1 ZINC001601446447 1017850133 /nfs/dbraw/zinc/85/01/33/1017850133.db2.gz NHPLTTLHTDUJSG-CMPLNLGQSA-N -1 0 322.317 -0.584 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)CNC(=O)c2ncccc2O)C1 ZINC001601446747 1017850408 /nfs/dbraw/zinc/85/04/08/1017850408.db2.gz POLZAALUORAPIS-ZDUSSCGKSA-N -1 0 311.269 -0.458 20 0 DBADRM O=C([O-])c1cc(C(=O)NC2CCN([C@H]3CCOC3=O)CC2)no1 ZINC001601441615 1017850448 /nfs/dbraw/zinc/85/04/48/1017850448.db2.gz OCGIJAPMBFJFPL-JTQLQIEISA-N -1 0 323.305 -0.118 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)N2CCCOCC2)CCSCC1 ZINC001601722044 1017870450 /nfs/dbraw/zinc/87/04/50/1017870450.db2.gz MEZUXTXEWPKOJG-UHFFFAOYSA-N -1 0 324.424 -0.107 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2cn[nH]c2)CC1 ZINC001601441783 1017850656 /nfs/dbraw/zinc/85/06/56/1017850656.db2.gz XCQYQUUQECAKCI-QWRGUYRKSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)c3cnccn3)C2)n1 ZINC001601443262 1017850713 /nfs/dbraw/zinc/85/07/13/1017850713.db2.gz JLUCUQSLOCDQSC-VIFPVBQESA-N -1 0 314.305 -0.027 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)CNC(=O)c1cccnc1 ZINC001601449627 1017851139 /nfs/dbraw/zinc/85/11/39/1017851139.db2.gz KAZZWHCCJTUVRY-CMPLNLGQSA-N -1 0 307.306 -0.752 20 0 DBADRM O=C([O-])c1nccc(N[C@@H](CO)CNC(=O)c2ccncc2)n1 ZINC001601460348 1017851281 /nfs/dbraw/zinc/85/12/81/1017851281.db2.gz CMUFUVZLAAPQPC-SNVBAGLBSA-N -1 0 317.305 -0.806 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)c1cnn(C[C@H](O)CO)c1)CC1CC1 ZINC001601458717 1017851628 /nfs/dbraw/zinc/85/16/28/1017851628.db2.gz NSILCYONRHAKFZ-PWSUYJOCSA-N -1 0 311.338 -0.533 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)C2=COCCC2)nc1 ZINC001601466302 1017851708 /nfs/dbraw/zinc/85/17/08/1017851708.db2.gz IVTCAOUHHXJSFB-NSHDSACASA-N -1 0 322.321 -0.242 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001601448428 1017851761 /nfs/dbraw/zinc/85/17/61/1017851761.db2.gz PRQNXGLLKQCVAZ-NXEZZACHSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC001601449037 1017851798 /nfs/dbraw/zinc/85/17/98/1017851798.db2.gz UGIPAHKWZSDIBF-UWVGGRQHSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CNC(=O)c2cccc(O)c2)CCO1 ZINC001601449072 1017851823 /nfs/dbraw/zinc/85/18/23/1017851823.db2.gz CPDHTXWXCHBYPU-NSHDSACASA-N -1 0 308.290 -0.566 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC001601449053 1017851850 /nfs/dbraw/zinc/85/18/50/1017851850.db2.gz UJBQRSDDGGHVKZ-OPRDCNLKSA-N -1 0 306.322 -0.707 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001601449413 1017851938 /nfs/dbraw/zinc/85/19/38/1017851938.db2.gz WGOXEXCYCYEPDL-ZJUUUORDSA-N -1 0 318.333 -0.052 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2cn[nH]n2)CCCC1 ZINC001601476074 1017852205 /nfs/dbraw/zinc/85/22/05/1017852205.db2.gz MBJJOEPHDQQETG-RKDXNWHRSA-N -1 0 321.337 -0.316 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ccc(=O)[nH]c2)CC1 ZINC001601476506 1017852224 /nfs/dbraw/zinc/85/22/24/1017852224.db2.gz UFHGDYLCOFEUJF-NXEZZACHSA-N -1 0 319.317 -0.114 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NCC2(C3CCC3)CCC2)C1 ZINC001601474791 1017852271 /nfs/dbraw/zinc/85/22/71/1017852271.db2.gz MBGPZXBQAOEKCE-UHFFFAOYSA-N -1 0 310.350 -0.269 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@@]2(OCCO)CCOC2)no1 ZINC001601477355 1017852498 /nfs/dbraw/zinc/85/24/98/1017852498.db2.gz HUPRGIIKAZZJTE-LBPRGKRZSA-N -1 0 300.267 -0.729 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2cc[nH]c(=O)c2)CC1 ZINC001601475728 1017852702 /nfs/dbraw/zinc/85/27/02/1017852702.db2.gz HMCCCTTXFRSULH-UWVGGRQHSA-N -1 0 319.317 -0.114 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)C(=O)NC[C@H]3CCOC3)[C@@H]2C1 ZINC001601485079 1017853390 /nfs/dbraw/zinc/85/33/90/1017853390.db2.gz BNUZLUFNXGVBJS-OOCWMUITSA-N -1 0 310.350 -0.245 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccncc2)C1 ZINC001601477827 1017854001 /nfs/dbraw/zinc/85/40/01/1017854001.db2.gz PMXUQVAHDSZKJU-MNOVXSKESA-N -1 0 319.317 -0.895 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2cncnc2)C1 ZINC001601487714 1017854061 /nfs/dbraw/zinc/85/40/61/1017854061.db2.gz HCBYWGJYIROJHU-WDEREUQCSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC/C=C/CO)c2ccccc2O1 ZINC001601490717 1017854265 /nfs/dbraw/zinc/85/42/65/1017854265.db2.gz GWFJGYVFMKDVKH-AAOUONPWSA-N -1 0 320.301 -0.470 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)C(=O)NCCC3CC3)C2)nn1 ZINC001601492489 1017854564 /nfs/dbraw/zinc/85/45/64/1017854564.db2.gz SHAGHICWAJXLFD-JTQLQIEISA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(CCNC(=O)c2cn[nH]n2)CC1 ZINC001601491236 1017855098 /nfs/dbraw/zinc/85/50/98/1017855098.db2.gz PZWOBGHPSLYZFZ-BDAKNGLRSA-N -1 0 321.337 -0.458 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCC[C@@]2(O)CCOC2)n1 ZINC001601491284 1017855135 /nfs/dbraw/zinc/85/51/35/1017855135.db2.gz RILYLWMUAJKTGM-CQSZACIVSA-N -1 0 323.305 -0.624 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)CCCNC(=O)C2CC2)CC1 ZINC001601494969 1017855430 /nfs/dbraw/zinc/85/54/30/1017855430.db2.gz PLWMZMQRUSDZDG-ZDUSSCGKSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCCCO2)CCO1 ZINC001601494173 1017855623 /nfs/dbraw/zinc/85/56/23/1017855623.db2.gz RYZIHHOETBKECX-GHMZBOCLSA-N -1 0 314.338 -0.626 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N(CCCNC(=O)c1cnon1)C1CC1 ZINC001601498102 1017855669 /nfs/dbraw/zinc/85/56/69/1017855669.db2.gz ACNONMYKBSPQBA-ZJUUUORDSA-N -1 0 322.321 -0.099 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCCN2CCCC2=O)C1 ZINC001601497705 1017855674 /nfs/dbraw/zinc/85/56/74/1017855674.db2.gz ZUXRKAOXLSVFPN-JTQLQIEISA-N -1 0 311.338 -0.952 20 0 DBADRM O=C([O-])c1c(NC(=O)NCCN2CCNC2=O)nc2n1CCC2 ZINC001601502290 1017855854 /nfs/dbraw/zinc/85/58/54/1017855854.db2.gz BIUBNWGAKMFLDW-UHFFFAOYSA-N -1 0 322.325 -0.326 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)NCCCCc2ccccc2)C1 ZINC001601498553 1017856332 /nfs/dbraw/zinc/85/63/32/1017856332.db2.gz YYUBWQWUVMFOBK-UHFFFAOYSA-N -1 0 320.345 -0.217 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCCCOC2CCOCC2)C1 ZINC001601500006 1017856410 /nfs/dbraw/zinc/85/64/10/1017856410.db2.gz QEIGKHCQWOADOR-UHFFFAOYSA-N -1 0 302.327 -0.587 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNC(=O)c1ncnc2[nH]ccc21 ZINC001601504666 1017856960 /nfs/dbraw/zinc/85/69/60/1017856960.db2.gz YPQGMBPDEJUWPO-IUCAKERBSA-N -1 0 317.305 -0.524 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1ccn(C(F)F)n1 ZINC001601503119 1017856996 /nfs/dbraw/zinc/85/69/96/1017856996.db2.gz HRYXBAJLHYITNZ-RNFRBKRXSA-N -1 0 316.264 -0.155 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NCCNC(=O)c1cccnc1 ZINC001601503101 1017857353 /nfs/dbraw/zinc/85/73/53/1017857353.db2.gz AALSHPBFDWVHMV-GHMZBOCLSA-N -1 0 306.322 -0.169 20 0 DBADRM O=C([O-])c1ccc(OCCNC(=O)C(=O)N[C@@H]2CCOC2)cc1 ZINC001601504850 1017857469 /nfs/dbraw/zinc/85/74/69/1017857469.db2.gz CTFZFJGDAHZLDZ-LLVKDONJSA-N -1 0 322.317 -0.215 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NCCOCC(F)(F)F ZINC001601503012 1017857505 /nfs/dbraw/zinc/85/75/05/1017857505.db2.gz DMJKQPPBAIQPRA-YFKPBYRVSA-N -1 0 304.196 -0.780 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)C(=O)NCCn1ccnc1)CC2 ZINC001601517598 1017857614 /nfs/dbraw/zinc/85/76/14/1017857614.db2.gz DMBDFRFFMVLAMR-ABAIWWIYSA-N -1 0 320.349 -0.145 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCC2(CCO)CCC2)nn1 ZINC001601517093 1017858036 /nfs/dbraw/zinc/85/80/36/1017858036.db2.gz AHKNKEPATJYEIE-UHFFFAOYSA-N -1 0 311.342 -0.172 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001601509815 1017858075 /nfs/dbraw/zinc/85/80/75/1017858075.db2.gz MKLLZLUTDKTSNE-STQMWFEESA-N -1 0 320.345 -0.013 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@@H]2C[C@H](O)C23CCC3)nn1 ZINC001601517438 1017858094 /nfs/dbraw/zinc/85/80/94/1017858094.db2.gz JSXGVKWAGSMSLC-ZJUUUORDSA-N -1 0 309.326 -0.421 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)nn1 ZINC001601516957 1017858210 /nfs/dbraw/zinc/85/82/10/1017858210.db2.gz RTXXDKWFGOFPLK-UHFFFAOYSA-N -1 0 316.277 -0.012 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)nn1 ZINC001601517316 1017858504 /nfs/dbraw/zinc/85/85/04/1017858504.db2.gz FDPSSYBTUJDBEL-ORZSEXNPSA-N -1 0 321.337 -0.301 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCn2cncn2)cc1F ZINC001601518007 1017858534 /nfs/dbraw/zinc/85/85/34/1017858534.db2.gz KZRSHNKTBGZOIZ-UHFFFAOYSA-N -1 0 321.268 -0.130 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)NCCn2cccc2)CC1 ZINC001601517632 1017858567 /nfs/dbraw/zinc/85/85/67/1017858567.db2.gz FHOZJASICOGWNJ-GFCCVEGCSA-N -1 0 323.349 -0.712 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)c1cc(N2CCOCC2)ccn1 ZINC001601510016 1017858573 /nfs/dbraw/zinc/85/85/73/1017858573.db2.gz REWGYUGWNQNBHB-LBPRGKRZSA-N -1 0 309.322 -0.516 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001601520798 1017858826 /nfs/dbraw/zinc/85/88/26/1017858826.db2.gz UXEXIGBTWLMRIV-ZLUOBGJFSA-N -1 0 300.208 -0.018 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCC([C@@H]2CCOC2)CC1 ZINC001601521501 1017858913 /nfs/dbraw/zinc/85/89/13/1017858913.db2.gz XSPKPXZTMRPXGW-MNOVXSKESA-N -1 0 316.329 -0.200 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCn2nc(C3CC3)cc2C1 ZINC001601519930 1017859150 /nfs/dbraw/zinc/85/91/50/1017859150.db2.gz KBYOLIZAVMEBQM-JTQLQIEISA-N -1 0 324.312 -0.358 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC001601520446 1017859175 /nfs/dbraw/zinc/85/91/75/1017859175.db2.gz QKUJSMHEAWHBJS-UCKHGQTESA-N -1 0 300.286 -0.935 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001601520797 1017859483 /nfs/dbraw/zinc/85/94/83/1017859483.db2.gz UXEXIGBTWLMRIV-SRQIZXRXSA-N -1 0 300.208 -0.018 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC001601523857 1017859895 /nfs/dbraw/zinc/85/98/95/1017859895.db2.gz PNQNSMJYXDITLN-JTQLQIEISA-N -1 0 306.274 -0.485 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NC[C@]1(O)CCSC1 ZINC001601524835 1017860243 /nfs/dbraw/zinc/86/02/43/1017860243.db2.gz HENNIRKJUURDBZ-KBVBSXBZSA-N -1 0 304.368 -0.357 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1ccc2nnc(C(F)F)n2c1 ZINC001601523553 1017860288 /nfs/dbraw/zinc/86/02/88/1017860288.db2.gz IAXDXZMXGDTMJR-LURJTMIESA-N -1 0 300.221 -0.158 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC001601524544 1017860334 /nfs/dbraw/zinc/86/03/34/1017860334.db2.gz XKLUQWZMKBFONO-KWQFWETISA-N -1 0 310.281 -0.260 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1COCCN1CC(F)F ZINC001601523083 1017860457 /nfs/dbraw/zinc/86/04/57/1017860457.db2.gz AVBLAIVHIZVXCQ-WCABBAIRSA-N -1 0 322.308 -0.442 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001601525114 1017860489 /nfs/dbraw/zinc/86/04/89/1017860489.db2.gz AYQREWSYNDCOTH-UTINFBMNSA-N -1 0 306.322 -0.245 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NCc2cccc(F)c2)C1 ZINC001601541228 1017860822 /nfs/dbraw/zinc/86/08/22/1017860822.db2.gz HIKVMZJZZOFZPK-JQWIXIFHSA-N -1 0 324.308 -0.264 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)c2cnn(C[C@@H](O)CO)c2)o1 ZINC001601535964 1017860871 /nfs/dbraw/zinc/86/08/71/1017860871.db2.gz XACBIBQTRJLJBM-SECBINFHSA-N -1 0 309.278 -0.543 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001601527322 1017860910 /nfs/dbraw/zinc/86/09/10/1017860910.db2.gz YXHYSRQNOLASNS-FVCCEPFGSA-N -1 0 323.393 -0.044 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCc2ccccc2)C1 ZINC001601542772 1017861245 /nfs/dbraw/zinc/86/12/45/1017861245.db2.gz QAMXEONZHSOTOM-NWDGAFQWSA-N -1 0 306.318 -0.403 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ncccn2)C1 ZINC001601573888 1017862036 /nfs/dbraw/zinc/86/20/36/1017862036.db2.gz NNBLKXHRYSLLGI-JXUBOQSCSA-N -1 0 304.306 -0.426 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001601573808 1017862081 /nfs/dbraw/zinc/86/20/81/1017862081.db2.gz LLWNINOPGZHWEC-VLEAKVRGSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)c3cn[nH]c3)C2)n1 ZINC001601569529 1017862192 /nfs/dbraw/zinc/86/21/92/1017862192.db2.gz BTOJYBNYMSQNFU-VIFPVBQESA-N -1 0 302.294 -0.093 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001601568197 1017862400 /nfs/dbraw/zinc/86/24/00/1017862400.db2.gz KWLPKLFVMNKCAN-GXSJLCMTSA-N -1 0 303.322 -0.019 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cnn(C[C@H](O)CO)c2)[C@H]2C[C@H]21 ZINC001601573568 1017862833 /nfs/dbraw/zinc/86/28/33/1017862833.db2.gz UCXUNMDCUMLNPZ-MJDLHHQISA-N -1 0 309.322 -0.925 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2C[C@H](NC(=O)c3cnccn3)C2)n1 ZINC001601574134 1017863235 /nfs/dbraw/zinc/86/32/35/1017863235.db2.gz ROQWMLSOOLKCQD-DTORHVGOSA-N -1 0 314.305 -0.240 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ncccc2O)C1 ZINC001601574697 1017863308 /nfs/dbraw/zinc/86/33/08/1017863308.db2.gz YNHXMYKJPCHWNE-RGOKHQFPSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2ccnnc2)C1 ZINC001601578249 1017863486 /nfs/dbraw/zinc/86/34/86/1017863486.db2.gz WACBSODADDGUPN-HJQYOEGKSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001601579150 1017863759 /nfs/dbraw/zinc/86/37/59/1017863759.db2.gz WEBWIWWWWLIKFB-MWODSPESSA-N -1 0 317.363 -0.704 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccn1 ZINC001601578597 1017863766 /nfs/dbraw/zinc/86/37/66/1017863766.db2.gz QPVIXALSIZNQHC-LADJIXMOSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])c1cc2c(cc1NC(=O)C(=O)N[C@H]1C[C@@H](O)C1)OCO2 ZINC001601593829 1017864116 /nfs/dbraw/zinc/86/41/16/1017864116.db2.gz HVRMZWAKFCIISH-KNVOCYPGSA-N -1 0 322.273 -0.309 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)c2ncccc2O)C1 ZINC001601578855 1017864220 /nfs/dbraw/zinc/86/42/20/1017864220.db2.gz YNHXMYKJPCHWNE-KYXWUPHJSA-N -1 0 319.317 -0.115 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(F)cn1 ZINC001601606232 1017864555 /nfs/dbraw/zinc/86/45/55/1017864555.db2.gz GUSYYMNGLNFQPK-WCBMZHEXSA-N -1 0 311.269 -0.404 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(F)nc1 ZINC001601606730 1017864567 /nfs/dbraw/zinc/86/45/67/1017864567.db2.gz RJVAEOAGBYFZGI-SCZZXKLOSA-N -1 0 311.269 -0.404 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)C1(O)CCOCC1 ZINC001601646414 1017864825 /nfs/dbraw/zinc/86/48/25/1017864825.db2.gz UFLPOTMGDOTMSD-SECBINFHSA-N -1 0 303.311 -0.750 20 0 DBADRM O=C([O-])[C@H](CNC(=O)N1C[C@H](O)[C@@H](CO)C1)Cc1ccccc1 ZINC001601653037 1017864963 /nfs/dbraw/zinc/86/49/63/1017864963.db2.gz WZAKYQYXOHXKRG-MJBXVCDLSA-N -1 0 322.361 -0.076 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NC(=O)C1(O)CCSCC1 ZINC001601646766 1017865315 /nfs/dbraw/zinc/86/53/15/1017865315.db2.gz XPDAFJNROWSXGP-MRVPVSSYSA-N -1 0 305.352 -0.423 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001601651434 1017865467 /nfs/dbraw/zinc/86/54/67/1017865467.db2.gz VKSFJTNKNPJEMK-IONNQARKSA-N -1 0 317.298 -0.745 20 0 DBADRM O=C([O-])[C@H](CNS(=O)(=O)C[C@H]1CCCO1)[C@@H]1CCOC1 ZINC001601652917 1017865604 /nfs/dbraw/zinc/86/56/04/1017865604.db2.gz GRWARRQVKIYUGC-GMTAPVOTSA-N -1 0 307.368 -0.178 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)C1(CO)CCOCC1 ZINC001601646389 1017865609 /nfs/dbraw/zinc/86/56/09/1017865609.db2.gz SWDZPFNVTTWJFL-VIFPVBQESA-N -1 0 303.311 -0.892 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C1(CO)CCOCC1)[C@@H]1CCOC1 ZINC001601648223 1017865724 /nfs/dbraw/zinc/86/57/24/1017865724.db2.gz YLOGMFURAWJNDL-MNOVXSKESA-N -1 0 301.339 -0.371 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001601663047 1017865989 /nfs/dbraw/zinc/86/59/89/1017865989.db2.gz OKUGHHFEIJWUOK-DTWKUNHWSA-N -1 0 301.324 -0.970 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)N2CC[C@@H](CF)C2)CC1 ZINC001601680736 1017866021 /nfs/dbraw/zinc/86/60/21/1017866021.db2.gz LPVCYRKJFASQON-ONGXEEELSA-N -1 0 316.329 -0.512 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)NCc2ccc(=O)[nH]n2)CC1 ZINC001601679771 1017866233 /nfs/dbraw/zinc/86/62/33/1017866233.db2.gz FMMPHEUXPAYRQI-NSHDSACASA-N -1 0 310.310 -0.451 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001601663049 1017866333 /nfs/dbraw/zinc/86/63/33/1017866333.db2.gz OKUGHHFEIJWUOK-RKDXNWHRSA-N -1 0 301.324 -0.970 20 0 DBADRM O=C([O-])[C@H](NCC(=O)N1CCNC1=O)c1ccc2c(c1)CCO2 ZINC001601670475 1017866433 /nfs/dbraw/zinc/86/64/33/1017866433.db2.gz PIMJTFYWIILEKJ-CYBMUJFWSA-N -1 0 319.317 -0.111 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)c2ccc3n[nH]c(=O)n3c2)CC1 ZINC001601681740 1017866628 /nfs/dbraw/zinc/86/66/28/1017866628.db2.gz CTDUDTQHXXGBLK-NSHDSACASA-N -1 0 320.305 -0.267 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@H]1Cc2ccccc2O1 ZINC001601663252 1017866806 /nfs/dbraw/zinc/86/68/06/1017866806.db2.gz RJECRMHGMDOJSD-CMPLNLGQSA-N -1 0 302.290 -0.149 20 0 DBADRM O=C([O-])[C@@]1(CNS(=O)(=O)C[C@H]2CCCOC2)CCOC1 ZINC001601711272 1017867097 /nfs/dbraw/zinc/86/70/97/1017867097.db2.gz NXAANRYRXMDXAU-CMPLNLGQSA-N -1 0 307.368 -0.176 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(Cc2nnn(CC(F)(F)F)n2)CC1 ZINC001601683716 1017867658 /nfs/dbraw/zinc/86/76/58/1017867658.db2.gz CTZIXFXDAQAJLO-VIFPVBQESA-N -1 0 323.275 -0.107 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)CCn2ccccc2=O)CC1 ZINC001601683125 1017867797 /nfs/dbraw/zinc/86/77/97/1017867797.db2.gz NXZDIZLCQCPPPJ-AWEZNQCLSA-N -1 0 308.334 -0.078 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001601684825 1017867835 /nfs/dbraw/zinc/86/78/35/1017867835.db2.gz VZRRUSVOTXMFMG-GXSJLCMTSA-N -1 0 324.337 -0.770 20 0 DBADRM O=C([O-])C1(CNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC1 ZINC001601710659 1017868095 /nfs/dbraw/zinc/86/80/95/1017868095.db2.gz CAJJMSVUBODHMJ-VIFPVBQESA-N -1 0 315.351 -0.012 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)CN2CSCC2=O)CC1 ZINC001601682776 1017868119 /nfs/dbraw/zinc/86/81/19/1017868119.db2.gz LRWQRHKILBWKAE-NSHDSACASA-N -1 0 302.352 -0.797 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CC1 ZINC001601713190 1017868284 /nfs/dbraw/zinc/86/82/84/1017868284.db2.gz PHTZGYJPDZSYAI-DTORHVGOSA-N -1 0 323.392 -0.843 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCC2CC3(C2)OCCO3)CC1 ZINC001601715452 1017868850 /nfs/dbraw/zinc/86/88/50/1017868850.db2.gz TWUUCQWCHVPPBK-UHFFFAOYSA-N -1 0 305.352 -0.076 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCN([C@H]3CCOC3)CC2)CC1 ZINC001601713306 1017868955 /nfs/dbraw/zinc/86/89/55/1017868955.db2.gz XUKFEVBWNXGEFH-NSHDSACASA-N -1 0 318.395 -0.413 20 0 DBADRM O=C([O-])[C@]1(CNS(=O)(=O)CCn2ccnc2)CCOC1 ZINC001601711632 1017868963 /nfs/dbraw/zinc/86/89/63/1017868963.db2.gz ZBXQXMNDBKWFQW-NSHDSACASA-N -1 0 303.340 -0.706 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCC[C@]2(O)CCCOC2)CC1 ZINC001601714129 1017869218 /nfs/dbraw/zinc/86/92/18/1017869218.db2.gz APNZATLDAKMJRO-GFCCVEGCSA-N -1 0 307.368 -0.298 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCN([C@H]3CCOC3)CC2)CCC1 ZINC001601724768 1017869511 /nfs/dbraw/zinc/86/95/11/1017869511.db2.gz NJFOCOQMOIZBMG-NSHDSACASA-N -1 0 318.395 -0.270 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2ccc(F)nc2F)C1 ZINC001601722753 1017869519 /nfs/dbraw/zinc/86/95/19/1017869519.db2.gz LGGCKSCWAMRQJU-JTQLQIEISA-N -1 0 308.262 -0.430 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)C[C@H]2CCCCO2)CC(CO)C1 ZINC001601721775 1017869530 /nfs/dbraw/zinc/86/95/30/1017869530.db2.gz QAJOFXJICNCKRE-SQLBVSGCSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)C[C@@H]2CCCCO2)CC(CO)C1 ZINC001601721776 1017869849 /nfs/dbraw/zinc/86/98/49/1017869849.db2.gz QAJOFXJICNCKRE-YZRBJQDESA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NCCCn2cc(CO)nn2)CCC1 ZINC001601725189 1017869998 /nfs/dbraw/zinc/86/99/98/1017869998.db2.gz PBCIMICKKFLJOI-UHFFFAOYSA-N -1 0 318.355 -0.913 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)CCC1 ZINC001601724036 1017870004 /nfs/dbraw/zinc/87/00/04/1017870004.db2.gz AOPDQRKKHJKEDT-JTQLQIEISA-N -1 0 304.368 -0.660 20 0 DBADRM O=C([O-])C1(O)CN(c2cc(C(F)(F)F)nc3ncnn32)C1 ZINC001601726316 1017870220 /nfs/dbraw/zinc/87/02/20/1017870220.db2.gz LQLRYBLMCGZXIK-UHFFFAOYSA-N -1 0 303.200 -0.221 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)c2cnc3n2CCC3)CC(CO)C1 ZINC001601723968 1017870367 /nfs/dbraw/zinc/87/03/67/1017870367.db2.gz LORUJRKYWWKRPS-UHFFFAOYSA-N -1 0 315.351 -0.667 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCN([C@@H]3CCOC3)CC2)CCC1 ZINC001601724767 1017870391 /nfs/dbraw/zinc/87/03/91/1017870391.db2.gz NJFOCOQMOIZBMG-LLVKDONJSA-N -1 0 318.395 -0.270 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC001601737922 1017870848 /nfs/dbraw/zinc/87/08/48/1017870848.db2.gz WHGAVUJYPNOWQU-VXGBXAGGSA-N -1 0 308.334 -0.087 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)N2CCN(c3nccnn3)CC2)C1 ZINC001601733179 1017870909 /nfs/dbraw/zinc/87/09/09/1017870909.db2.gz ATQXAQRMPLPAPL-LLVKDONJSA-N -1 0 318.337 -0.123 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CCOC[C@H]2C2CC2)C1 ZINC001601737921 1017871051 /nfs/dbraw/zinc/87/10/51/1017871051.db2.gz WHGAVUJYPNOWQU-RYUDHWBXSA-N -1 0 308.334 -0.087 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CC[C@]3(CCOC3)C2)C1 ZINC001601737046 1017871057 /nfs/dbraw/zinc/87/10/57/1017871057.db2.gz NEKBSDJGSONTGT-ABAIWWIYSA-N -1 0 308.334 -0.085 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CC[C@H](CCCO)C2)C1 ZINC001601735999 1017871177 /nfs/dbraw/zinc/87/11/77/1017871177.db2.gz DVDXPFAANGUBJG-JQWIXIFHSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)[C@H]3CCCn4ncnc43)C2)C1 ZINC001601739956 1017871636 /nfs/dbraw/zinc/87/16/36/1017871636.db2.gz RNZAVVFUNNWWAO-LKFCYVNXSA-N -1 0 319.321 -0.013 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)N2CCN(c3nccnn3)CC2)C1 ZINC001601733181 1017871649 /nfs/dbraw/zinc/87/16/49/1017871649.db2.gz ATQXAQRMPLPAPL-NSHDSACASA-N -1 0 318.337 -0.123 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)Cc1nc2ncccn2n1 ZINC001601749981 1017871877 /nfs/dbraw/zinc/87/18/77/1017871877.db2.gz GKAXISBUYKVIND-LDYMZIIASA-N -1 0 305.294 -0.897 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)NCCN3CCCC3=O)C2)C1 ZINC001601746538 1017872417 /nfs/dbraw/zinc/87/24/17/1017872417.db2.gz ZDKDSSAPFRHRAI-AWEZNQCLSA-N -1 0 324.337 -0.376 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(c3nnnn3CC(F)F)C2)C1 ZINC001601750343 1017872424 /nfs/dbraw/zinc/87/24/24/1017872424.db2.gz MTQDOLMJUAJRDH-SNVBAGLBSA-N -1 0 302.241 -0.252 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC001601745857 1017872481 /nfs/dbraw/zinc/87/24/81/1017872481.db2.gz ZFHJCJUVWBBYNX-CQSZACIVSA-N -1 0 320.305 -0.141 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)[C@H]3CCCn4ncnc43)C2)C1 ZINC001601739958 1017872674 /nfs/dbraw/zinc/87/26/74/1017872674.db2.gz RNZAVVFUNNWWAO-XPTSAGLGSA-N -1 0 319.321 -0.013 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)Cn3cc(C4CC4)nn3)C2)C1 ZINC001601741172 1017872749 /nfs/dbraw/zinc/87/27/49/1017872749.db2.gz ISBDMMCTRLKGKM-CQSZACIVSA-N -1 0 319.321 -0.013 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1ccc(-n2ccnc2)nn1 ZINC001601757649 1017873373 /nfs/dbraw/zinc/87/33/73/1017873373.db2.gz HZLRFDAOKIFRSD-CMPLNLGQSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])C1CC(NC(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)C1 ZINC001601759988 1017873407 /nfs/dbraw/zinc/87/34/07/1017873407.db2.gz PBWNZEVFEYMRRX-QPBDYMMBSA-N -1 0 316.379 -0.074 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc(-n2ccnc2)nn1 ZINC001601757652 1017873757 /nfs/dbraw/zinc/87/37/57/1017873757.db2.gz HZLRFDAOKIFRSD-JQWIXIFHSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001601758148 1017874060 /nfs/dbraw/zinc/87/40/60/1017874060.db2.gz MCUIDCGBEZLZJD-PSASIEDQSA-N -1 0 306.278 -0.515 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CC(CC3CC3)C2)C1 ZINC001601760533 1017874296 /nfs/dbraw/zinc/87/42/96/1017874296.db2.gz OPUONHMWHJAWCN-VXGBXAGGSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCCOc2cccnc2)C1 ZINC001601761418 1017874421 /nfs/dbraw/zinc/87/44/21/1017874421.db2.gz GIVHLQGTHFMRKP-GHMZBOCLSA-N -1 0 309.322 -0.063 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC(CC3CC3)C2)C1 ZINC001601760530 1017874630 /nfs/dbraw/zinc/87/46/30/1017874630.db2.gz OPUONHMWHJAWCN-NEPJUHHUSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)N[C@@H]2CCC3(C2)OCCO3)C1 ZINC001601762855 1017874672 /nfs/dbraw/zinc/87/46/72/1017874672.db2.gz NCYBTBMKZDZYKS-MXWKQRLJSA-N -1 0 314.338 -0.241 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC[C@@H](F)C2)C1 ZINC001601761053 1017874907 /nfs/dbraw/zinc/87/49/07/1017874907.db2.gz ZBCSIJQINNPGEN-OPRDCNLKSA-N -1 0 302.302 -0.759 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)Cn2nnc3ccccc32)C1 ZINC001601760971 1017874940 /nfs/dbraw/zinc/87/49/40/1017874940.db2.gz CRKPALQJUGGYNU-ZJUUUORDSA-N -1 0 304.306 -0.275 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)CCCN2C(=O)CCC2=O)C1 ZINC001601767643 1017875405 /nfs/dbraw/zinc/87/54/05/1017875405.db2.gz SCAZPZHJQCVPKH-NXEZZACHSA-N -1 0 312.322 -0.790 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)CN2CCN(C3CC3)C2=O)C1 ZINC001601769292 1017875605 /nfs/dbraw/zinc/87/56/05/1017875605.db2.gz YVPZGJZEDQWYDB-ONGXEEELSA-N -1 0 311.338 -0.820 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)CN2CCN(C3CC3)C2=O)C1 ZINC001601769276 1017875612 /nfs/dbraw/zinc/87/56/12/1017875612.db2.gz YVPZGJZEDQWYDB-GXSJLCMTSA-N -1 0 311.338 -0.820 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C2CN(CC(F)(F)F)C2)C1 ZINC001601765759 1017875817 /nfs/dbraw/zinc/87/58/17/1017875817.db2.gz MNFXBOLBUPMTDN-VXNVDRBHSA-N -1 0 310.272 -0.226 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCc2nnc3n2CCC3)C1 ZINC001601766861 1017875967 /nfs/dbraw/zinc/87/59/67/1017875967.db2.gz XKAOBRWWMPTBDR-RKDXNWHRSA-N -1 0 309.326 -0.799 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC001601768559 1017875969 /nfs/dbraw/zinc/87/59/69/1017875969.db2.gz JOSKKZYZACYQPQ-KJPMQGKISA-N -1 0 305.352 -0.597 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001601765638 1017876023 /nfs/dbraw/zinc/87/60/23/1017876023.db2.gz PTOYABOHKKYVMJ-NXEZZACHSA-N -1 0 320.305 -0.173 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(S(=O)(=O)CCOCC2CCC2)C1 ZINC001601767875 1017876170 /nfs/dbraw/zinc/87/61/70/1017876170.db2.gz GXLTXEUJUYTWDG-NWDGAFQWSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001601767477 1017876276 /nfs/dbraw/zinc/87/62/76/1017876276.db2.gz FPTNRVZVHLCEMU-PWSUYJOCSA-N -1 0 317.305 -0.430 20 0 DBADRM CC[C@@H](CNC(C)=O)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001498857452 1017876497 /nfs/dbraw/zinc/87/64/97/1017876497.db2.gz QYQWPFAVFZHUJU-VIFPVBQESA-N -1 0 306.326 -0.898 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1nnnn1CC1CCOCC1 ZINC001601773152 1017876549 /nfs/dbraw/zinc/87/65/49/1017876549.db2.gz NBGYHLWLROOTJT-QWRGUYRKSA-N -1 0 311.342 -0.881 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(S(=O)(=O)C[C@H]2CCCCO2)C1 ZINC001601769705 1017877147 /nfs/dbraw/zinc/87/71/47/1017877147.db2.gz PQEWKUAHWWRISA-GMTAPVOTSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001601776648 1017877803 /nfs/dbraw/zinc/87/78/03/1017877803.db2.gz CUJYPQOCLFKZQP-UWVGGRQHSA-N -1 0 320.305 -0.813 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)COC2CCCC2)C1 ZINC001601776787 1017877930 /nfs/dbraw/zinc/87/79/30/1017877930.db2.gz CGQMBVAIQNJFFQ-NEPJUHHUSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(Cc2nnc(C3CC3)o2)C1 ZINC001601776750 1017878203 /nfs/dbraw/zinc/87/82/03/1017878203.db2.gz BXXHBRNJIBPAGP-ZJUUUORDSA-N -1 0 306.322 -0.032 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2cnns2)CC1 ZINC001601776529 1017878236 /nfs/dbraw/zinc/87/82/36/1017878236.db2.gz ALZDCMIYTTXDFC-IUCAKERBSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCOC2(CN(C(=O)C3CC3)C2)C1 ZINC001601776676 1017878244 /nfs/dbraw/zinc/87/82/44/1017878244.db2.gz DDXFECBSPDSTGI-MNOVXSKESA-N -1 0 308.334 -0.443 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001601776148 1017878324 /nfs/dbraw/zinc/87/83/24/1017878324.db2.gz UCDLJQHCCBSJGL-JZRPKSSGSA-N -1 0 322.361 -0.293 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001601776578 1017878332 /nfs/dbraw/zinc/87/83/32/1017878332.db2.gz BBVBRXSMADHXMG-RKDXNWHRSA-N -1 0 307.310 -0.754 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001601776994 1017878469 /nfs/dbraw/zinc/87/84/69/1017878469.db2.gz BFWUEWXXNZEAQE-MNOVXSKESA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCOC2(CN(C(=O)C3CC3)C2)C1 ZINC001601776675 1017878517 /nfs/dbraw/zinc/87/85/17/1017878517.db2.gz DDXFECBSPDSTGI-GHMZBOCLSA-N -1 0 308.334 -0.443 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2cncc(F)c2)C1 ZINC001601776702 1017878579 /nfs/dbraw/zinc/87/85/79/1017878579.db2.gz BFNOSWBOYYLAFZ-VXGBXAGGSA-N -1 0 323.324 -0.396 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)Cn2cncn2)CC1 ZINC001601777141 1017878623 /nfs/dbraw/zinc/87/86/23/1017878623.db2.gz GBLXOSNHHXIIMA-MNOVXSKESA-N -1 0 321.337 -0.940 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C(F)F)C[C@@H]2C1 ZINC001601776685 1017878670 /nfs/dbraw/zinc/87/86/70/1017878670.db2.gz DFNZHYOEDXTBTA-UYXSQOIJSA-N -1 0 302.277 -0.111 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001601777832 1017878957 /nfs/dbraw/zinc/87/89/57/1017878957.db2.gz ARPWDIMHTNDMRN-UYXSQOIJSA-N -1 0 309.326 -0.785 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cccnn2)CC1 ZINC001601777210 1017879193 /nfs/dbraw/zinc/87/91/93/1017879193.db2.gz GKRQLYZWBTUGGK-ZJUUUORDSA-N -1 0 304.306 -0.518 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2csnn2)CC1 ZINC001601777535 1017879423 /nfs/dbraw/zinc/87/94/23/1017879423.db2.gz FWDIGZWDZZKNDG-BDAKNGLRSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnsn3)C[C@H]21 ZINC001601778309 1017879647 /nfs/dbraw/zinc/87/96/47/1017879647.db2.gz BUTCKAXIJIRAFE-BGJNVIQHSA-N -1 0 322.346 -0.555 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)CC1CCC1 ZINC001601777735 1017879842 /nfs/dbraw/zinc/87/98/42/1017879842.db2.gz FGOQZJCSPQRHIT-RYUDHWBXSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCn2cncn2)CC1 ZINC001601777509 1017879869 /nfs/dbraw/zinc/87/98/69/1017879869.db2.gz IBIJUUXDDKLACX-QWRGUYRKSA-N -1 0 321.337 -0.940 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC001601779175 1017880053 /nfs/dbraw/zinc/88/00/53/1017880053.db2.gz ORAVYHPEJAEMHP-BDAKNGLRSA-N -1 0 316.321 -0.278 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)/C=C/C2CC2)C1 ZINC001601778556 1017880087 /nfs/dbraw/zinc/88/00/87/1017880087.db2.gz JCJNIQUJCVGWAQ-YIZUVKHSSA-N -1 0 308.334 -0.637 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCN(C(=O)c1ncccn1)C1CC1 ZINC001601779315 1017880123 /nfs/dbraw/zinc/88/01/23/1017880123.db2.gz IQBKUPZUEYJHSA-QWRGUYRKSA-N -1 0 318.333 -0.082 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC001601779176 1017880380 /nfs/dbraw/zinc/88/03/80/1017880380.db2.gz ORAVYHPEJAEMHP-DTWKUNHWSA-N -1 0 316.321 -0.278 20 0 DBADRM O=C([O-])C1CC2(C1)C[C@H](NC(=O)C1(n3cnnn3)CC1)CCO2 ZINC001601779888 1017880388 /nfs/dbraw/zinc/88/03/88/1017880388.db2.gz HKZLMVJKFVNSBT-RUETXSTFSA-N -1 0 321.337 -0.309 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3csnn3)C[C@H]21 ZINC001601778945 1017880603 /nfs/dbraw/zinc/88/06/03/1017880603.db2.gz FKJPGNMMZNSPSF-RZWYQDGFSA-N -1 0 322.346 -0.555 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2=O)CC1 ZINC001601778766 1017880610 /nfs/dbraw/zinc/88/06/10/1017880610.db2.gz MSBHEZCJEXGYCR-GHMZBOCLSA-N -1 0 323.349 -1.000 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccc[nH]2)C1 ZINC001601779052 1017880696 /nfs/dbraw/zinc/88/06/96/1017880696.db2.gz KVLNLHOHWQBKOX-DTWKUNHWSA-N -1 0 307.306 -0.962 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001601779109 1017880720 /nfs/dbraw/zinc/88/07/20/1017880720.db2.gz NRVOICKQJBELDF-YKXRINGMSA-N -1 0 320.345 -0.828 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001601779107 1017880816 /nfs/dbraw/zinc/88/08/16/1017880816.db2.gz NRVOICKQJBELDF-LJKYVLQWSA-N -1 0 320.345 -0.828 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(F)ncn3)C[C@H]21 ZINC001601779014 1017880944 /nfs/dbraw/zinc/88/09/44/1017880944.db2.gz GGEOBROGXOWTID-DADSOTLSSA-N -1 0 306.297 -0.113 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc[nH]2)C1 ZINC001601779051 1017880965 /nfs/dbraw/zinc/88/09/65/1017880965.db2.gz KVLNLHOHWQBKOX-BDAKNGLRSA-N -1 0 307.306 -0.962 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNCc1nnc2n1CCCCC2 ZINC001601780881 1017881909 /nfs/dbraw/zinc/88/19/09/1017881909.db2.gz NCNWVJODXNIVLY-GHMZBOCLSA-N -1 0 321.381 -0.069 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(CC(=O)N2CCCCC2)C1 ZINC001601780366 1017881968 /nfs/dbraw/zinc/88/19/68/1017881968.db2.gz KZCSYKPGSSQFKI-CHWSQXEVSA-N -1 0 323.393 -0.232 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CCOCC3)C[C@H]21 ZINC001601781361 1017882118 /nfs/dbraw/zinc/88/21/18/1017882118.db2.gz NTFKOKLUCULLFF-OBPIAQAESA-N -1 0 320.345 -0.373 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCc2nnc[nH]2)CC1 ZINC001601780677 1017882125 /nfs/dbraw/zinc/88/21/25/1017882125.db2.gz SYDQKAWJGBPLLZ-VHSXEESVSA-N -1 0 321.337 -0.871 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)C2CCCC2)C1 ZINC001601781544 1017882397 /nfs/dbraw/zinc/88/23/97/1017882397.db2.gz SPYZJQBVWOHFLH-WDEREUQCSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)CCc2c[nH]cn2)C1 ZINC001601782368 1017882992 /nfs/dbraw/zinc/88/29/92/1017882992.db2.gz QOXJSMPTYNPYIX-NWDGAFQWSA-N -1 0 320.349 -0.362 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2cnsn2)C1 ZINC001601783116 1017883114 /nfs/dbraw/zinc/88/31/14/1017883114.db2.gz SROFGKGMQGPJME-YUMQZZPRSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2ccc(F)nc2)C1 ZINC001601783970 1017883704 /nfs/dbraw/zinc/88/37/04/1017883704.db2.gz XUIHFNOFTWDVDG-ZJUUUORDSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]2C(=O)N(CCO[C@H]3CCOC3)C(=O)N2C1 ZINC001601798870 1017884086 /nfs/dbraw/zinc/88/40/86/1017884086.db2.gz NTYSPXTVPOUVTK-OUAUKWLOSA-N -1 0 312.322 -0.081 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2n[nH]cc2F)C1 ZINC001601784878 1017884279 /nfs/dbraw/zinc/88/42/79/1017884279.db2.gz WFRDWAZKTGLBHI-JGVFFNPUSA-N -1 0 310.285 -0.542 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC001601784047 1017884386 /nfs/dbraw/zinc/88/43/86/1017884386.db2.gz UQUGRQNJQAMYLP-YFVNTRNASA-N -1 0 315.329 -0.011 20 0 DBADRM O=C([O-])C1CCC(S(=O)(=O)N2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC001601800219 1017884730 /nfs/dbraw/zinc/88/47/30/1017884730.db2.gz XRHKLAIYMBJMRR-RSJDFQLWSA-N -1 0 321.395 -0.365 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC001601813141 1017884864 /nfs/dbraw/zinc/88/48/64/1017884864.db2.gz BQLIBANLSFPVGE-LNFKQOIKSA-N -1 0 307.368 -0.301 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CC3(C2)C[C@H](O)CNC3=O)C1 ZINC001601801936 1017884893 /nfs/dbraw/zinc/88/48/93/1017884893.db2.gz SVDOPGCAKFZUFM-MXWKQRLJSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCO[C@@H](CF)C2)C1=O ZINC001601815228 1017884984 /nfs/dbraw/zinc/88/49/84/1017884984.db2.gz BCXFXJMVFXPCEL-UWVGGRQHSA-N -1 0 302.302 -0.494 20 0 DBADRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1cnn(C[C@H](O)CO)c1 ZINC001601815327 1017885151 /nfs/dbraw/zinc/88/51/51/1017885151.db2.gz ATXLZFOQWBZDPQ-RYUDHWBXSA-N -1 0 311.338 -0.294 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]2C(=O)N(CC(=O)N3CCCC3)C(=O)N2C1 ZINC001601800752 1017885253 /nfs/dbraw/zinc/88/52/53/1017885253.db2.gz YHWLMWVOZCJZOJ-ZJUUUORDSA-N -1 0 309.322 -0.264 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCC3(C2)OCCO3)C1=O ZINC001601819288 1017885745 /nfs/dbraw/zinc/88/57/45/1017885745.db2.gz WYSORCWYWLVKMY-SNVBAGLBSA-N -1 0 312.322 -0.715 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCCn3nncc3C2)C1=O ZINC001601819076 1017885888 /nfs/dbraw/zinc/88/58/88/1017885888.db2.gz SCWIZOGUVSTLBP-NSHDSACASA-N -1 0 321.337 -0.666 20 0 DBADRM O=C([O-])C1CCN(C(=O)COC(=O)C2(O)CCOCC2)CC1 ZINC001601822950 1017886174 /nfs/dbraw/zinc/88/61/74/1017886174.db2.gz QNZMNFPQAOEHSC-UHFFFAOYSA-N -1 0 315.322 -0.606 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCN(C(=O)C3CC3)C2)C1=O ZINC001601819169 1017886207 /nfs/dbraw/zinc/88/62/07/1017886207.db2.gz UFONUYWGZVZTIO-LLVKDONJSA-N -1 0 323.349 -0.652 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCN(C(=O)C3CC3)C2)C1=O ZINC001601819170 1017886248 /nfs/dbraw/zinc/88/62/48/1017886248.db2.gz UFONUYWGZVZTIO-NSHDSACASA-N -1 0 323.349 -0.652 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@@H](n3cncn3)C2)C1=O ZINC001601819131 1017886540 /nfs/dbraw/zinc/88/65/40/1017886540.db2.gz SXPPEUGDJXVXMX-GHMZBOCLSA-N -1 0 321.337 -0.625 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001601823880 1017886838 /nfs/dbraw/zinc/88/68/38/1017886838.db2.gz LQBYDHYZCBZTJB-VHSXEESVSA-N -1 0 304.368 -0.073 20 0 DBADRM O=C([O-])[C@@H]1CCN1C(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC001601834969 1017886861 /nfs/dbraw/zinc/88/68/61/1017886861.db2.gz QJZOTZFUOLYPAS-JTQLQIEISA-N -1 0 316.310 -0.211 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCC[C@H]3CCNC(=O)[C@@H]32)CC1 ZINC001601823478 1017887190 /nfs/dbraw/zinc/88/71/90/1017887190.db2.gz QTHWLQMBGWKCHM-SMDDNHRTSA-N -1 0 323.393 -0.090 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCCOCCCO)CC1 ZINC001601830263 1017887213 /nfs/dbraw/zinc/88/72/13/1017887213.db2.gz PRGUGJBKIBFEEW-UHFFFAOYSA-N -1 0 310.372 -0.984 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCOC[C@]23CCOC3)CC1 ZINC001601823470 1017887408 /nfs/dbraw/zinc/88/74/08/1017887408.db2.gz QPOCEXDSLAEPMW-OAHLLOKOSA-N -1 0 312.366 -0.199 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2Cc2cccc(F)n2)CCO1 ZINC001601850458 1017888504 /nfs/dbraw/zinc/88/85/04/1017888504.db2.gz NZIYLJOCMGXSFX-VIFPVBQESA-N -1 0 308.273 -0.455 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CN2CSCCSC2)CCO1 ZINC001601843068 1017888909 /nfs/dbraw/zinc/88/89/09/1017888909.db2.gz JOIPYJPNCDRZKT-VIFPVBQESA-N -1 0 306.409 -0.005 20 0 DBADRM O=C([O-])[C@@H]1CN(c2nnnn2C[C@H]2CC3(CCC3)CO2)CCO1 ZINC001601849364 1017888938 /nfs/dbraw/zinc/88/89/38/1017888938.db2.gz GSIZDXNDLZQUTD-MNOVXSKESA-N -1 0 323.353 -0.078 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1cc(N2CCOCC2)ncn1 ZINC001601853042 1017889390 /nfs/dbraw/zinc/88/93/90/1017889390.db2.gz SBOUZBLUBFSESB-LLVKDONJSA-N -1 0 322.321 -0.761 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001601852135 1017889510 /nfs/dbraw/zinc/88/95/10/1017889510.db2.gz XITABEDVXDFKBX-ZJUUUORDSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc2[nH]ccc2n1 ZINC001601853976 1017889580 /nfs/dbraw/zinc/88/95/80/1017889580.db2.gz JGYQPOUJFNWZKJ-NSHDSACASA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)[C@]1(C2CCCC2)CCNC1=O ZINC001601853337 1017890022 /nfs/dbraw/zinc/89/00/22/1017890022.db2.gz WCTFIERTLREDIG-ABAIWWIYSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)N2CCS(=O)(=O)CC2)C1 ZINC001601855880 1017890382 /nfs/dbraw/zinc/89/03/82/1017890382.db2.gz JKHDQMGKKKXKPG-SECBINFHSA-N -1 0 322.408 -0.414 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1ccc2nonc2c1 ZINC001601854320 1017890602 /nfs/dbraw/zinc/89/06/02/1017890602.db2.gz BLUWIFUBCXYAIF-NSHDSACASA-N -1 0 311.319 -0.094 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnn2c1CCC2 ZINC001601854645 1017890635 /nfs/dbraw/zinc/89/06/35/1017890635.db2.gz SNMZTYKAHUTFMY-JTQLQIEISA-N -1 0 313.335 -0.847 20 0 DBADRM O=C([O-])CC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC001601888863 1017890942 /nfs/dbraw/zinc/89/09/42/1017890942.db2.gz WYDBASPYTZTSFF-UHFFFAOYSA-N -1 0 305.334 -0.074 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)C1CC1 ZINC001601892915 1017891000 /nfs/dbraw/zinc/89/10/00/1017891000.db2.gz MIALOFSOYAHZQH-LLVKDONJSA-N -1 0 318.395 -0.666 20 0 DBADRM O=C([O-])CC(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001601885556 1017891004 /nfs/dbraw/zinc/89/10/04/1017891004.db2.gz HANCIENPUUSOMK-UHFFFAOYSA-N -1 0 304.368 -0.818 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)C(=O)N1CCC[C@H](CO)C1)C1CC1 ZINC001601891409 1017891314 /nfs/dbraw/zinc/89/13/14/1017891314.db2.gz KKNOKSMSHTYGNQ-CMPLNLGQSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)CCCN1C(=O)CNC1=O)C1CC1 ZINC001601894007 1017891414 /nfs/dbraw/zinc/89/14/14/1017891414.db2.gz XNOGFIGWDWZLNO-JTQLQIEISA-N -1 0 311.338 -0.065 20 0 DBADRM O=C([O-])C[C@H](NC(=O)CNC(=O)c1ncccc1O)C1CC1 ZINC001601900155 1017891598 /nfs/dbraw/zinc/89/15/98/1017891598.db2.gz FABHUPNSGRDJQR-VIFPVBQESA-N -1 0 307.306 -0.114 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)C(=O)N1CCC[C@H](CO)C1)C1CC1 ZINC001601891411 1017891636 /nfs/dbraw/zinc/89/16/36/1017891636.db2.gz KKNOKSMSHTYGNQ-JQWIXIFHSA-N -1 0 312.366 -0.166 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1cnn(C(F)F)c1 ZINC001601910044 1017891905 /nfs/dbraw/zinc/89/19/05/1017891905.db2.gz XKLWZAHKJNJELB-LURJTMIESA-N -1 0 306.225 -0.832 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC001601909447 1017891929 /nfs/dbraw/zinc/89/19/29/1017891929.db2.gz RBCXDUQPDYJQAE-NXEZZACHSA-N -1 0 310.306 -0.420 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Nc1ccc(-n2nccn2)nc1 ZINC001601911574 1017892012 /nfs/dbraw/zinc/89/20/12/1017892012.db2.gz HHSLRTXNQFQHCK-SECBINFHSA-N -1 0 306.282 -0.381 20 0 DBADRM COCCOCCN1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001498959973 1017892573 /nfs/dbraw/zinc/89/25/73/1017892573.db2.gz NFQVAFXWZHNWPO-NSHDSACASA-N -1 0 312.370 -0.109 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)c1cccc2c1OCC2 ZINC001601913094 1017892571 /nfs/dbraw/zinc/89/25/71/1017892571.db2.gz VNUGILBZLVTBSG-SECBINFHSA-N -1 0 301.320 -0.265 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)c1cc(N2CCOCC2)ccn1 ZINC001601910348 1017892689 /nfs/dbraw/zinc/89/26/89/1017892689.db2.gz JZDQBOQCQTUWMV-NSHDSACASA-N -1 0 309.322 -0.516 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)CNC(=O)OCc1ccccc1 ZINC001601909350 1017892740 /nfs/dbraw/zinc/89/27/40/1017892740.db2.gz CXJNQZYDEIHCMO-NSHDSACASA-N -1 0 310.306 -0.135 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCC[C@@]2(O)CCOC2)CC1 ZINC001601924028 1017893197 /nfs/dbraw/zinc/89/31/97/1017893197.db2.gz ZDPNKONSRRYUAM-GFCCVEGCSA-N -1 0 307.368 -0.298 20 0 DBADRM O=C([O-])CC1(NC(=O)C2=COCCO2)CCS(=O)(=O)CC1 ZINC001601925877 1017893306 /nfs/dbraw/zinc/89/33/06/1017893306.db2.gz SECGHCPIBUVIBN-UHFFFAOYSA-N -1 0 319.335 -0.587 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCC[C@]2(O)CCOC2)CC1 ZINC001601924029 1017893687 /nfs/dbraw/zinc/89/36/87/1017893687.db2.gz ZDPNKONSRRYUAM-LBPRGKRZSA-N -1 0 307.368 -0.298 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)C[C@@H]2CCS(=O)(=O)C2)CCCOC1 ZINC001601925066 1017893730 /nfs/dbraw/zinc/89/37/30/1017893730.db2.gz BOFXQVWDMZDKHF-GWCFXTLKSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)[C@@H]2CCc3nncn3C2)CCCOC1 ZINC001601926353 1017893912 /nfs/dbraw/zinc/89/39/12/1017893912.db2.gz LGZFXYHWXDHBJN-YGRLFVJLSA-N -1 0 308.338 -0.019 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001601940155 1017894603 /nfs/dbraw/zinc/89/46/03/1017894603.db2.gz RDTXCPGHMLVDAC-LDYMZIIASA-N -1 0 306.322 -0.684 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H](O)Cc1ccccc1 ZINC001601940131 1017894642 /nfs/dbraw/zinc/89/46/42/1017894642.db2.gz GHKJFFZIZWMQGV-NEPJUHHUSA-N -1 0 306.318 -0.608 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)C[C@@H]1CC(=O)NC1=O ZINC001601966745 1017899399 /nfs/dbraw/zinc/89/93/99/1017899399.db2.gz CSHSDQUUXAFECP-JGVFFNPUSA-N -1 0 300.336 -0.542 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCc2cncn2C1 ZINC001601938566 1017895273 /nfs/dbraw/zinc/89/52/73/1017895273.db2.gz AMPGGYORMSBWSY-GXSJLCMTSA-N -1 0 306.322 -0.753 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cc1cc(F)ccc1O ZINC001601940123 1017895290 /nfs/dbraw/zinc/89/52/90/1017895290.db2.gz QXOBYOBETYKIKN-SNVBAGLBSA-N -1 0 310.281 -0.125 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cc1nnc(C2CC2)[nH]1 ZINC001601938647 1017895591 /nfs/dbraw/zinc/89/55/91/1017895591.db2.gz CYERIULJEOIIHL-QMMMGPOBSA-N -1 0 307.310 -0.974 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1CCCNC(=O)C(F)(F)F ZINC001601941168 1017895870 /nfs/dbraw/zinc/89/58/70/1017895870.db2.gz WUDGEEJKBDYCNT-ZETCQYMHSA-N -1 0 311.260 -0.670 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001601987274 1017901949 /nfs/dbraw/zinc/90/19/49/1017901949.db2.gz ZEEXARWMOHGHIN-WDEREUQCSA-N -1 0 309.384 -0.364 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)COCc1ccncc1 ZINC001601941721 1017895908 /nfs/dbraw/zinc/89/59/08/1017895908.db2.gz ZNLCVVPCQNEILD-NSHDSACASA-N -1 0 307.306 -0.600 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cccc2nccn21 ZINC001601941075 1017896139 /nfs/dbraw/zinc/89/61/39/1017896139.db2.gz KZQIJOOVOKJFIU-JTQLQIEISA-N -1 0 302.290 -0.250 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cnc2ccccn12 ZINC001601943040 1017896156 /nfs/dbraw/zinc/89/61/56/1017896156.db2.gz WZYNZCWRYMSRPP-SECBINFHSA-N -1 0 302.290 -0.250 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCc2cccnc21 ZINC001601940667 1017896367 /nfs/dbraw/zinc/89/63/67/1017896367.db2.gz STOJRUDZRLYBFS-WDEREUQCSA-N -1 0 303.318 -0.087 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cc2ncccn2n1 ZINC001601941749 1017896445 /nfs/dbraw/zinc/89/64/45/1017896445.db2.gz OGXLGXZUCYMVNL-SECBINFHSA-N -1 0 303.278 -0.855 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1[nH]ncc1C(F)(F)F ZINC001601940879 1017896714 /nfs/dbraw/zinc/89/67/14/1017896714.db2.gz KAUYLHKQSKHZEF-LURJTMIESA-N -1 0 320.227 -0.156 20 0 DBADRM O=C([O-])CC1CCN(C(=O)C(=O)NCc2cccnn2)CC1 ZINC001601954484 1017897165 /nfs/dbraw/zinc/89/71/65/1017897165.db2.gz FAZBILZIPYBVSQ-UHFFFAOYSA-N -1 0 306.322 -0.194 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001601952760 1017897229 /nfs/dbraw/zinc/89/72/29/1017897229.db2.gz VHKPLTGJOKGFBW-XSFWNMJMSA-N -1 0 322.361 -0.008 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCc3nncn3CC2)CCO1 ZINC001601957713 1017897282 /nfs/dbraw/zinc/89/72/82/1017897282.db2.gz DQOIVSMZIYXCHX-GHMZBOCLSA-N -1 0 308.338 -0.067 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)NCCCn1ccnc1 ZINC001601953323 1017897366 /nfs/dbraw/zinc/89/73/66/1017897366.db2.gz ZCYHMDZDBCLIEK-LLVKDONJSA-N -1 0 308.338 -0.145 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)CCO1 ZINC001601957343 1017897449 /nfs/dbraw/zinc/89/74/49/1017897449.db2.gz CPURMCSIGIVTGD-WISYIIOYSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](F)C2)CCO1 ZINC001601958238 1017897454 /nfs/dbraw/zinc/89/74/54/1017897454.db2.gz MTIABMBKZNTDTR-ZJUUUORDSA-N -1 0 302.302 -0.351 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)NCCCn1cncn1 ZINC001601952693 1017897610 /nfs/dbraw/zinc/89/76/10/1017897610.db2.gz UPBLVAHHGMVZIM-JTQLQIEISA-N -1 0 309.326 -0.750 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NC2CCSCC2)CCO1 ZINC001601957408 1017897738 /nfs/dbraw/zinc/89/77/38/1017897738.db2.gz FBZGEYQJHRGLER-SNVBAGLBSA-N -1 0 316.379 -0.300 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC=CO2)CCO1 ZINC001601959049 1017897832 /nfs/dbraw/zinc/89/78/32/1017897832.db2.gz TVWVTKGBWBORSX-GHMZBOCLSA-N -1 0 312.322 -0.503 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N2CCCC(F)(F)C2)CCO1 ZINC001601959218 1017897959 /nfs/dbraw/zinc/89/79/59/1017897959.db2.gz UYOGSZSEJISHCM-SECBINFHSA-N -1 0 320.292 -0.054 20 0 DBADRM O=C([O-])CC1CCN(C(=O)C(=O)NCCCn2cncn2)CC1 ZINC001601954775 1017898040 /nfs/dbraw/zinc/89/80/40/1017898040.db2.gz WPSJUNXARIAUOE-UHFFFAOYSA-N -1 0 323.353 -0.502 20 0 DBADRM O=C([O-])C[C@@H]1CN(Cc2nnnn2CC(F)(F)F)CCO1 ZINC001601961511 1017898172 /nfs/dbraw/zinc/89/81/72/1017898172.db2.gz DNFNOBYJBYNNLL-SSDOTTSWSA-N -1 0 309.248 -0.089 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCc2nnc3n2CCC3)CCO1 ZINC001601960533 1017898321 /nfs/dbraw/zinc/89/83/21/1017898321.db2.gz ZOOSSRDRAVCESQ-SECBINFHSA-N -1 0 309.326 -0.391 20 0 DBADRM O=C([O-])C[C@@H]1CSCC[N@H+]1C[C@@H](O)C[C@]1(O)CCOC1 ZINC001601968605 1017899061 /nfs/dbraw/zinc/89/90/61/1017899061.db2.gz AMGXQFZCWNNMIN-NTZNESFSSA-N -1 0 305.396 -0.219 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001601965391 1017899304 /nfs/dbraw/zinc/89/93/04/1017899304.db2.gz OLRFXTMPVGUWBH-LMLFDSFASA-N -1 0 305.352 -0.188 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1C[C@@]12CCOC2 ZINC001601965829 1017899352 /nfs/dbraw/zinc/89/93/52/1017899352.db2.gz SYMJGFSQTDGCTH-GIPNMCIBSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001601964768 1017899728 /nfs/dbraw/zinc/89/97/28/1017899728.db2.gz BAZPHKKLGKHGHY-GHMZBOCLSA-N -1 0 324.337 -0.370 20 0 DBADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001601975668 1017900683 /nfs/dbraw/zinc/90/06/83/1017900683.db2.gz PLBWRSKLZBZEJH-MEWQQHAOSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC001601991128 1017900801 /nfs/dbraw/zinc/90/08/01/1017900801.db2.gz DVIJUCPSDMFUPM-JTQLQIEISA-N -1 0 314.338 -0.421 20 0 DBADRM O=C([O-])CCCCC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001601980444 1017901208 /nfs/dbraw/zinc/90/12/08/1017901208.db2.gz WWTABYPYZCAKMP-CQSZACIVSA-N -1 0 314.338 -0.625 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001601987271 1017902653 /nfs/dbraw/zinc/90/26/53/1017902653.db2.gz ZEEXARWMOHGHIN-GHMZBOCLSA-N -1 0 309.384 -0.364 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1CCC[C@](O)(CO)C1 ZINC001601986976 1017902672 /nfs/dbraw/zinc/90/26/72/1017902672.db2.gz LROMWHHGCMMZDY-GFCCVEGCSA-N -1 0 309.384 -0.220 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC001601987312 1017902939 /nfs/dbraw/zinc/90/29/39/1017902939.db2.gz BOSUYAROOCZQHC-SECBINFHSA-N -1 0 320.367 -0.949 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1c[nH]c(=S)[nH]1 ZINC001601968879 1017903843 /nfs/dbraw/zinc/90/38/43/1017903843.db2.gz VBNLNTDWDHHPBT-ZCFIWIBFSA-N -1 0 319.364 -0.588 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCC1CCS(=O)(=O)CC1 ZINC001601999636 1017905750 /nfs/dbraw/zinc/90/57/50/1017905750.db2.gz URBAXHBGABZEJN-UHFFFAOYSA-N -1 0 313.397 -0.405 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC001601998855 1017906215 /nfs/dbraw/zinc/90/62/15/1017906215.db2.gz KQOIRXLSOWQBEA-SECBINFHSA-N -1 0 306.340 -0.293 20 0 DBADRM O=C([O-])CCCNC(=S)N1CCC(=O)NCC12COC2 ZINC001601992029 1017906316 /nfs/dbraw/zinc/90/63/16/1017906316.db2.gz XZASVWNJUAGXPE-UHFFFAOYSA-N -1 0 301.368 -0.683 20 0 DBADRM O=C([O-])CCN1CC[C@H](n2cc(C[C@H](O)C3CC3)nn2)C1=O ZINC001602011823 1017909419 /nfs/dbraw/zinc/90/94/19/1017909419.db2.gz CKCBHZTUODQGLJ-RYUDHWBXSA-N -1 0 308.338 -0.160 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)C1=CCS(=O)(=O)C1 ZINC001602005764 1017909497 /nfs/dbraw/zinc/90/94/97/1017909497.db2.gz LNEFAHUUQHRYMT-NSHDSACASA-N -1 0 317.363 -0.177 20 0 DBADRM O=C([O-])CC[N@H+](C[C@@H]1CCCO1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC001602006210 1017911194 /nfs/dbraw/zinc/91/11/94/1017911194.db2.gz LXTURYIUPCVOQH-QWRGUYRKSA-N -1 0 314.338 -0.372 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](OC(=O)C[C@@H]2COC(=O)C2)C1=O ZINC001602014284 1017913444 /nfs/dbraw/zinc/91/34/44/1017913444.db2.gz KCRTZXQNLZSGDA-NXEZZACHSA-N -1 0 313.306 -0.052 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](N2CCO[C@]3(CCOC3)C2)C1=O ZINC001602014582 1017914282 /nfs/dbraw/zinc/91/42/82/1017914282.db2.gz ZGXAHTXBSDBJGQ-IUODEOHRSA-N -1 0 312.366 -0.057 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](N2CCO[C@@]3(CCOC3)C2)C1=O ZINC001602014581 1017915384 /nfs/dbraw/zinc/91/53/84/1017915384.db2.gz ZGXAHTXBSDBJGQ-DOMZBBRYSA-N -1 0 312.366 -0.057 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CCN(c3cccnn3)CC2)C1=O ZINC001602016006 1017916263 /nfs/dbraw/zinc/91/62/63/1017916263.db2.gz MUMOXPVMHOEKAP-LBPRGKRZSA-N -1 0 319.365 -0.326 20 0 DBADRM O=C([O-])CCN1CC[C@H](n2cc(Cn3cccn3)nn2)C1=O ZINC001602015088 1017917243 /nfs/dbraw/zinc/91/72/43/1017917243.db2.gz VEQWDUSAJATHDM-NSHDSACASA-N -1 0 304.310 -0.229 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCC[C@@H](O)CC1 ZINC001602017745 1017918492 /nfs/dbraw/zinc/91/84/92/1017918492.db2.gz IFHILGYIVLXGNP-SNVBAGLBSA-N -1 0 301.343 -0.476 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cc2c(cc1O)OCO2 ZINC001602018605 1017919294 /nfs/dbraw/zinc/91/92/94/1017919294.db2.gz SEYCKDRYQSLLAI-UHFFFAOYSA-N -1 0 324.289 -0.168 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cnc2cccnn21 ZINC001602018543 1017919339 /nfs/dbraw/zinc/91/93/39/1017919339.db2.gz QWCFSHFIQBLOEU-UHFFFAOYSA-N -1 0 305.294 -0.560 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cnn(C(F)F)c1 ZINC001602019009 1017919501 /nfs/dbraw/zinc/91/95/01/1017919501.db2.gz FFQYZWBCGHAXTB-UHFFFAOYSA-N -1 0 304.253 -0.011 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)CN1CCSC1=O ZINC001602017809 1017920244 /nfs/dbraw/zinc/92/02/44/1017920244.db2.gz KYGXDUXIVWDKLF-UHFFFAOYSA-N -1 0 303.340 -0.748 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)Cc1ccccc1CO ZINC001602017807 1017920347 /nfs/dbraw/zinc/92/03/47/1017920347.db2.gz KWGHQBMOVDNQEU-UHFFFAOYSA-N -1 0 308.334 -0.181 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cn2c(n1)CCCC2 ZINC001602018526 1017920401 /nfs/dbraw/zinc/92/04/01/1017920401.db2.gz QDPCLXZYBMBBPW-UHFFFAOYSA-N -1 0 308.338 -0.070 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCC[C@@H](CCO)C1 ZINC001602018487 1017921144 /nfs/dbraw/zinc/92/11/44/1017921144.db2.gz YBWWQXLCMDYWSB-NSHDSACASA-N -1 0 315.370 -0.229 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)Nc1nc2n(n1)CCCC2 ZINC001602020707 1017922611 /nfs/dbraw/zinc/92/26/11/1017922611.db2.gz NJMADPPKEDFDNE-UHFFFAOYSA-N -1 0 324.341 -0.283 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCN(c2cncc(F)c2)CC1 ZINC001602022011 1017923224 /nfs/dbraw/zinc/92/32/24/1017923224.db2.gz OXJBCJASPGOOMQ-UHFFFAOYSA-N -1 0 310.329 -0.066 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)NCC2(CO)COC2)n1 ZINC001602151924 1017961118 /nfs/dbraw/zinc/96/11/18/1017961118.db2.gz JOOJEMISQJAOCW-UHFFFAOYSA-N -1 0 301.324 -0.099 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1cnn2c1OCCC2 ZINC001602020322 1017924050 /nfs/dbraw/zinc/92/40/50/1017924050.db2.gz SIXPCCRGYKJOTG-UHFFFAOYSA-N -1 0 310.310 -0.624 20 0 DBADRM O=C([O-])CCNC(=O)CCNS(=O)(=O)CC[C@H]1CCOC1 ZINC001602020107 1017924223 /nfs/dbraw/zinc/92/42/23/1017924223.db2.gz YGNOHCSWAYOZCU-SNVBAGLBSA-N -1 0 322.383 -0.687 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001602021935 1017924480 /nfs/dbraw/zinc/92/44/80/1017924480.db2.gz SPZQCKJXCQRQOR-UHFFFAOYSA-N -1 0 322.273 -0.235 20 0 DBADRM O=C([O-])CN(C1CCOCC1)S(=O)(=O)CCn1ccnc1 ZINC001602051945 1017926580 /nfs/dbraw/zinc/92/65/80/1017926580.db2.gz BSVOFACFDAUUDY-UHFFFAOYSA-N -1 0 317.367 -0.222 20 0 DBADRM O=C([O-])CN(C(=O)CC1C(=O)N=CNC1=O)C1CCOCC1 ZINC001602050692 1017926914 /nfs/dbraw/zinc/92/69/14/1017926914.db2.gz BAIYFNRFXRYZFF-UHFFFAOYSA-N -1 0 311.294 -0.478 20 0 DBADRM O=C([O-])CCc1csc(NC(=O)N2C[C@H](CO)[C@H](O)C2)n1 ZINC001602045910 1017926956 /nfs/dbraw/zinc/92/69/56/1017926956.db2.gz AFTRFSHSBZVTTJ-VXNVDRBHSA-N -1 0 315.351 -0.023 20 0 DBADRM O=C([O-])CN(CC(=O)N1CCNC(=O)C1)Cc1ccccc1 ZINC001602051936 1017926969 /nfs/dbraw/zinc/92/69/69/1017926969.db2.gz AMWMGYHSEVMNCZ-UHFFFAOYSA-N -1 0 305.334 -0.468 20 0 DBADRM O=C([O-])CCc1nc(COC(=O)C2CC(=O)NC(=O)C2)no1 ZINC001602047890 1017927101 /nfs/dbraw/zinc/92/71/01/1017927101.db2.gz JKBTXPYFPZHWMS-UHFFFAOYSA-N -1 0 311.250 -0.817 20 0 DBADRM O=C([O-])CCSCCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001602028956 1017928704 /nfs/dbraw/zinc/92/87/04/1017928704.db2.gz VJUCSBCFHCRYCI-ZETCQYMHSA-N -1 0 303.340 -0.701 20 0 DBADRM O=C([O-])CN1CCN(C(=O)c2coc3c2C(=O)NCCC3)CC1 ZINC001602060466 1017930000 /nfs/dbraw/zinc/93/00/00/1017930000.db2.gz BDLKPYCGFSLTLG-UHFFFAOYSA-N -1 0 321.333 -0.202 20 0 DBADRM O=C([O-])CN1CCN(S(=O)(=O)CCOCC2CCC2)CC1 ZINC001602062229 1017932461 /nfs/dbraw/zinc/93/24/61/1017932461.db2.gz LFWUBWLSIJGVEP-UHFFFAOYSA-N -1 0 320.411 -0.165 20 0 DBADRM O=C([O-])CN1CCN(C(=O)c2ccc3c(n2)OCCO3)CC1 ZINC001602062153 1017933368 /nfs/dbraw/zinc/93/33/68/1017933368.db2.gz GATBXBBIHXSHRQ-UHFFFAOYSA-N -1 0 307.306 -0.305 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC001602065100 1017934639 /nfs/dbraw/zinc/93/46/39/1017934639.db2.gz HZXKEXMEYYRJBA-NSHDSACASA-N -1 0 318.395 -0.524 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001602064537 1017935007 /nfs/dbraw/zinc/93/50/07/1017935007.db2.gz YWKWHRDFZLINKX-ONGXEEELSA-N -1 0 323.349 -0.811 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1c1cncc(OCCO)n1 ZINC001602065854 1017936156 /nfs/dbraw/zinc/93/61/56/1017936156.db2.gz OUJHWMHDJWNNRQ-SECBINFHSA-N -1 0 310.310 -0.983 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@]1([C@H]2CCCCO2)CCCO1 ZINC001602065981 1017936951 /nfs/dbraw/zinc/93/69/51/1017936951.db2.gz NCGQKNMFUKWOJD-QMTHXVAHSA-N -1 0 314.338 -0.578 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001602064257 1017937564 /nfs/dbraw/zinc/93/75/64/1017937564.db2.gz MZQNXFLMCHQLBP-JOYOIKCWSA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC001602066556 1017938352 /nfs/dbraw/zinc/93/83/52/1017938352.db2.gz WMGKOEBHKIBIGC-LLVKDONJSA-N -1 0 323.280 -0.364 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Cn1ccc(=O)c2ccccc21 ZINC001602069307 1017938946 /nfs/dbraw/zinc/93/89/46/1017938946.db2.gz YJVFOBNGZKDRLV-UHFFFAOYSA-N -1 0 317.301 -0.682 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(-c2ccco2)[nH]c1=O ZINC001602069343 1017941074 /nfs/dbraw/zinc/94/10/74/1017941074.db2.gz AIRMVLGESQSHJL-UHFFFAOYSA-N -1 0 319.273 -0.022 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccnc(N2CCCC2)n1 ZINC001602069885 1017943386 /nfs/dbraw/zinc/94/33/86/1017943386.db2.gz KTRKRTBSSYZZJB-UHFFFAOYSA-N -1 0 307.310 -0.993 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc(-c2ccncc2)on1 ZINC001602069728 1017944324 /nfs/dbraw/zinc/94/43/24/1017944324.db2.gz ZUPFEOPQZZJOGF-UHFFFAOYSA-N -1 0 304.262 -0.333 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccn(Cc2ccccc2)n1 ZINC001602070129 1017945689 /nfs/dbraw/zinc/94/56/89/1017945689.db2.gz UMLGFNWFKDJUNX-UHFFFAOYSA-N -1 0 316.317 -0.138 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cncc(OCC(F)F)c1 ZINC001602070059 1017945792 /nfs/dbraw/zinc/94/57/92/1017945792.db2.gz PJMGZKXTKNGRNY-UHFFFAOYSA-N -1 0 317.248 -0.344 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1scnc1Br ZINC001602070029 1017946506 /nfs/dbraw/zinc/94/65/06/1017946506.db2.gz NMNNLQZSOXZSGM-UHFFFAOYSA-N -1 0 322.140 -0.164 20 0 DBADRM O=C([O-])COCC(=O)N1CCNC(=O)[C@H]1c1ccccc1F ZINC001602076850 1017947030 /nfs/dbraw/zinc/94/70/30/1017947030.db2.gz ZCEODOSZCTUZTF-CYBMUJFWSA-N -1 0 310.281 -0.074 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1ccc2nccnc2c1 ZINC001602078103 1017947556 /nfs/dbraw/zinc/94/75/56/1017947556.db2.gz YOKMWBSYUXKQEE-UHFFFAOYSA-N -1 0 318.289 -0.214 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1cccc2nonc21 ZINC001602077839 1017947714 /nfs/dbraw/zinc/94/77/14/1017947714.db2.gz MLDCOQRIOKBWHX-UHFFFAOYSA-N -1 0 308.250 -0.621 20 0 DBADRM O=C([O-])COCC(=O)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC001602077902 1017948078 /nfs/dbraw/zinc/94/80/78/1017948078.db2.gz YOLSUJXYZQGHEK-JTQLQIEISA-N -1 0 301.295 -0.732 20 0 DBADRM O=C([O-])COCCNC(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC001602078644 1017948546 /nfs/dbraw/zinc/94/85/46/1017948546.db2.gz DXFCHPCKYPVSFN-UHFFFAOYSA-N -1 0 311.323 -0.312 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1ccn2ccnc2c1 ZINC001602078005 1017949147 /nfs/dbraw/zinc/94/91/47/1017949147.db2.gz RAITYOQHHVBPRZ-UHFFFAOYSA-N -1 0 306.278 -0.510 20 0 DBADRM O=C([O-])CNS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC001602075277 1017949516 /nfs/dbraw/zinc/94/95/16/1017949516.db2.gz SAKMPQWKTAYOHW-UHFFFAOYSA-N -1 0 317.714 -0.117 20 0 DBADRM O=C([O-])COCCNC(=O)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC001602078815 1017949627 /nfs/dbraw/zinc/94/96/27/1017949627.db2.gz QROMRSKDCOTXBS-SNVBAGLBSA-N -1 0 308.338 -0.065 20 0 DBADRM O=C([O-])COCCNC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC001602079288 1017950354 /nfs/dbraw/zinc/95/03/54/1017950354.db2.gz BIOPVWOPBDHNKQ-SNVBAGLBSA-N -1 0 318.326 -0.691 20 0 DBADRM O=C([O-])CSCCC(=O)NC[C@]1(OCCO)CCOC1 ZINC001602097933 1017951833 /nfs/dbraw/zinc/95/18/33/1017951833.db2.gz AOQKVUIKMSOWCH-GFCCVEGCSA-N -1 0 307.368 -0.522 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c1 ZINC001602092625 1017952109 /nfs/dbraw/zinc/95/21/09/1017952109.db2.gz IXONLPWKFLUKEU-YRGRVCCFSA-N -1 0 323.301 -0.499 20 0 DBADRM O=C([O-])COCCNC(=O)NC[C@H]1CC2(CO1)CCOCC2 ZINC001602079768 1017952202 /nfs/dbraw/zinc/95/22/02/1017952202.db2.gz RERKJFJNJVPBAU-LLVKDONJSA-N -1 0 316.354 -0.028 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)NC/C=C\CO)c1 ZINC001602092889 1017953222 /nfs/dbraw/zinc/95/32/22/1017953222.db2.gz CCYXXTDRCYPODO-UPHRSURJSA-N -1 0 308.290 -0.247 20 0 DBADRM O=C([O-])COCCNC(=O)NCC(=O)NCCc1ccccc1 ZINC001602079774 1017953414 /nfs/dbraw/zinc/95/34/14/1017953414.db2.gz RHKMCIPBVWEODS-UHFFFAOYSA-N -1 0 323.349 -0.254 20 0 DBADRM O=C([O-])COCCNC(=O)NCCC1CCS(=O)(=O)CC1 ZINC001602079861 1017954409 /nfs/dbraw/zinc/95/44/09/1017954409.db2.gz KTKBUGDVHFWWTR-UHFFFAOYSA-N -1 0 322.383 -0.398 20 0 DBADRM O=C([O-])COCCNC(=O)N[C@H]1COc2ccccc2[C@H]1O ZINC001602079829 1017954584 /nfs/dbraw/zinc/95/45/84/1017954584.db2.gz UXSWVYNXAIUTGX-GXFFZTMASA-N -1 0 310.306 -0.119 20 0 DBADRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001602114608 1017955361 /nfs/dbraw/zinc/95/53/61/1017955361.db2.gz NJGKUAPODFUSOP-QWRGUYRKSA-N -1 0 319.317 -0.213 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)NCC2(CO)COC2)cc1 ZINC001602133732 1017955722 /nfs/dbraw/zinc/95/57/22/1017955722.db2.gz MVDXTOXBKPJIRV-UHFFFAOYSA-N -1 0 315.347 -0.399 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001602109674 1017956471 /nfs/dbraw/zinc/95/64/71/1017956471.db2.gz GKMOZPGGHUEMDI-ZJUUUORDSA-N -1 0 319.321 -0.349 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2cnn(C[C@@H](O)CO)c2)C1 ZINC001602112820 1017958520 /nfs/dbraw/zinc/95/85/20/1017958520.db2.gz UMKPHUDIEHVPOZ-ADEWGFFLSA-N -1 0 311.338 -0.391 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N[C@H]2CNC(=O)C2)cc1F ZINC001602133565 1017958540 /nfs/dbraw/zinc/95/85/40/1017958540.db2.gz KHZKJSFWHVTCTH-MRVPVSSYSA-N -1 0 316.310 -0.380 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)CN2C[C@H](O)C[C@H]2CO)n1 ZINC001602151554 1017959539 /nfs/dbraw/zinc/95/95/39/1017959539.db2.gz ZOGVLCBUQMAPHX-DTWKUNHWSA-N -1 0 315.351 -0.864 20 0 DBADRM O=C([O-])Cc1occc1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001602156706 1017960758 /nfs/dbraw/zinc/96/07/58/1017960758.db2.gz KGSHXJDMSVJTHI-QMMMGPOBSA-N -1 0 307.262 -0.717 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c1 ZINC001602137558 1017961376 /nfs/dbraw/zinc/96/13/76/1017961376.db2.gz POBZIKYMMBITIS-YRGRVCCFSA-N -1 0 307.302 -0.335 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)C[C@H]2C=CS(=O)(=O)C2)n[nH]1 ZINC001602154628 1017961412 /nfs/dbraw/zinc/96/14/12/1017961412.db2.gz PSZOKQFZYWSJFU-ZCFIWIBFSA-N -1 0 300.296 -0.681 20 0 DBADRM O=C([O-])Cc1sccc1C(=O)N1CCN(C(=O)CO)CC1 ZINC001602158411 1017962450 /nfs/dbraw/zinc/96/24/50/1017962450.db2.gz LXJPKJCXDPDAFX-UHFFFAOYSA-N -1 0 312.347 -0.348 20 0 DBADRM O=C([O-])Cn1cc(CC[S@](=O)Cc2cc3n(n2)CCC3)nn1 ZINC001602161466 1017964898 /nfs/dbraw/zinc/96/48/98/1017964898.db2.gz SQRUHVSSGXAXNT-QFIPXVFZSA-N -1 0 323.378 -0.003 20 0 DBADRM O=C([O-])Cn1cc(CN2CCC(Cn3cnnc3)CC2)nn1 ZINC001602160917 1017965276 /nfs/dbraw/zinc/96/52/76/1017965276.db2.gz IELRWLBVUVPFMJ-UHFFFAOYSA-N -1 0 305.342 -0.134 20 0 DBADRM O=C([O-])Cn1cc(CNC[C@H]2CCCCS2(=O)=O)nn1 ZINC001602161997 1017965475 /nfs/dbraw/zinc/96/54/75/1017965475.db2.gz OPDNCLFTVXLNLB-SNVBAGLBSA-N -1 0 302.356 -0.580 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(C[C@H]1CC3(CC3)C(=O)O1)c2=O ZINC001602167408 1017968562 /nfs/dbraw/zinc/96/85/62/1017968562.db2.gz OYIRQRLDNDMNTN-MRVPVSSYSA-N -1 0 318.289 -0.227 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2COC[C@H]2C2CC2)cn1 ZINC001602163999 1017968976 /nfs/dbraw/zinc/96/89/76/1017968976.db2.gz JLSVISHJDPZJKT-WDEREUQCSA-N -1 0 315.351 -0.329 20 0 DBADRM O=C([O-])Cn1ncc2ccc(NC(=O)N(CCO)CCO)cc21 ZINC001602167306 1017969284 /nfs/dbraw/zinc/96/92/84/1017969284.db2.gz WOOUBQZLCIBTMS-UHFFFAOYSA-N -1 0 322.321 -0.061 20 0 DBADRM O=C([O-])[C@@H](F)CNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001602170607 1017971278 /nfs/dbraw/zinc/97/12/78/1017971278.db2.gz JMPNUFSQUOMWCG-APPZFPTMSA-N -1 0 307.303 -0.455 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC[C@@H](CO)[C@H]2CCOC2)C1 ZINC001602180762 1017972418 /nfs/dbraw/zinc/97/24/18/1017972418.db2.gz SLZPGWVHZIAFGF-RHYQMDGZSA-N -1 0 321.395 -0.196 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC001602191832 1017972506 /nfs/dbraw/zinc/97/25/06/1017972506.db2.gz VETGIWMWCCDOLJ-USWWRNFRSA-N -1 0 305.290 -0.379 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCC(CO)(CO)CC2)C1 ZINC001602192478 1017972625 /nfs/dbraw/zinc/97/26/25/1017972625.db2.gz MZVUGVFXSDNDPR-NWDGAFQWSA-N -1 0 315.366 -0.150 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC001602191917 1017972952 /nfs/dbraw/zinc/97/29/52/1017972952.db2.gz XQEQPCSIDSJFMK-YIZRAAEISA-N -1 0 310.272 -0.083 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CC[C@@H](C(=O)N3CCCC3)C2)C(=O)O1 ZINC001602188232 1017973436 /nfs/dbraw/zinc/97/34/36/1017973436.db2.gz PDDHVUNKZPCKRJ-MNOVXSKESA-N -1 0 311.338 -0.206 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC[C@@H](CO)[C@@H]2CCOC2)C1 ZINC001602180763 1017973606 /nfs/dbraw/zinc/97/36/06/1017973606.db2.gz SLZPGWVHZIAFGF-WYUUTHIRSA-N -1 0 321.395 -0.196 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC001602191619 1017974269 /nfs/dbraw/zinc/97/42/69/1017974269.db2.gz QZMBECYLQYMZDD-AXFHLTTASA-N -1 0 320.349 -0.236 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001602195002 1017974516 /nfs/dbraw/zinc/97/45/16/1017974516.db2.gz UQJCAXBKMSHLEA-ZRUFSTJUSA-N -1 0 316.379 -0.217 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCC(Cn3cnnc3)CC2)C(=O)O1 ZINC001602188803 1017974543 /nfs/dbraw/zinc/97/45/43/1017974543.db2.gz SPHKCNKZVQPUSX-NSHDSACASA-N -1 0 309.326 -0.147 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)Cc1noc(C2CC2)n1 ZINC001602192656 1017974620 /nfs/dbraw/zinc/97/46/20/1017974620.db2.gz AUBSJVAHFLICJQ-SFYZADRCSA-N -1 0 317.323 -0.703 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@@H]21 ZINC001602206883 1017976439 /nfs/dbraw/zinc/97/64/39/1017976439.db2.gz LUWINTOLHZPNQF-SVDPJWKOSA-N -1 0 301.364 -0.010 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N=S1(=O)CCCC1 ZINC001602197287 1017977075 /nfs/dbraw/zinc/97/70/75/1017977075.db2.gz BWMLFYQTHNBFEY-YUMQZZPRSA-N -1 0 314.360 -0.010 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)NCCCN3C(=O)CCC3=O)C[C@@H]21 ZINC001602205185 1017977487 /nfs/dbraw/zinc/97/74/87/1017977487.db2.gz ONQNKEQYTNKKBT-GDGBQDQQSA-N -1 0 309.322 -0.503 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1ccco1 ZINC001602199573 1017977960 /nfs/dbraw/zinc/97/79/60/1017977960.db2.gz NTLXNSKBSVSSHI-YUMQZZPRSA-N -1 0 307.262 -0.501 20 0 DBADRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001602209655 1017979290 /nfs/dbraw/zinc/97/92/90/1017979290.db2.gz HQVNGQJSYHSAQQ-RNFRBKRXSA-N -1 0 316.264 -0.133 20 0 DBADRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001602209654 1017979791 /nfs/dbraw/zinc/97/97/91/1017979791.db2.gz HQVNGQJSYHSAQQ-NKWVEPMBSA-N -1 0 316.264 -0.133 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)C1([C@@H]2CCCCO2)CCOCC1 ZINC001602208819 1017979816 /nfs/dbraw/zinc/97/98/16/1017979816.db2.gz CANFEWVPVSDBIQ-QWRGUYRKSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)C3CCS(=O)(=O)CC3)C[C@@H]21 ZINC001602207413 1017979986 /nfs/dbraw/zinc/97/99/86/1017979986.db2.gz YNMFCNQTHJKMKX-MYJAWHEDSA-N -1 0 323.392 -0.844 20 0 DBADRM O=C([O-])[C@]12CN(Cn3nc4n(c3=O)CCCC4)C[C@H]1COCC2 ZINC001602208571 1017980070 /nfs/dbraw/zinc/98/00/70/1017980070.db2.gz WUFBQVTXTRUPAY-XHDPSFHLSA-N -1 0 322.365 -0.238 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)CCCN3CCOCC3)C[C@@H]21 ZINC001602207404 1017980184 /nfs/dbraw/zinc/98/01/84/1017980184.db2.gz YKZJTCLNUFEOQT-GDNZZTSVSA-N -1 0 318.395 -0.699 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)no1 ZINC001602245445 1017982068 /nfs/dbraw/zinc/98/20/68/1017982068.db2.gz PBFZAXWEILWXSG-VIFPVBQESA-N -1 0 321.293 -0.066 20 0 DBADRM O=C([O-])c1c[nH]c(=O)c(NC(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC001602233356 1017982292 /nfs/dbraw/zinc/98/22/92/1017982292.db2.gz BPJPSTPJRZXJIE-LURJTMIESA-N -1 0 300.292 -0.141 20 0 DBADRM O=C([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1COC[C@H]1O ZINC001602230110 1017982383 /nfs/dbraw/zinc/98/23/83/1017982383.db2.gz BGNHWAIRHLNEEN-HTQZYQBOSA-N -1 0 305.283 -0.438 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)on1 ZINC001602245336 1017982669 /nfs/dbraw/zinc/98/26/69/1017982669.db2.gz NTUIXGLATBSUHQ-ONGXEEELSA-N -1 0 307.262 -0.408 20 0 DBADRM O=C([O-])c1c(NC(=O)[C@H]2CCS(=O)(=O)C2)nc2n1CCC2 ZINC001602232304 1017983253 /nfs/dbraw/zinc/98/32/53/1017983253.db2.gz OUOAKPDZIHUJQE-ZETCQYMHSA-N -1 0 313.335 -0.099 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N(CCO)CCO)oc1Cl ZINC001602289297 1017984072 /nfs/dbraw/zinc/98/40/72/1017984072.db2.gz WJKZKQBFTIMQCW-UHFFFAOYSA-N -1 0 313.715 -0.394 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c[nH]1 ZINC001602292555 1017984139 /nfs/dbraw/zinc/98/41/39/1017984139.db2.gz VGMRLDNFYNDOHO-HTRCEHHLSA-N -1 0 300.292 -0.494 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)cs1 ZINC001602291923 1017984155 /nfs/dbraw/zinc/98/41/55/1017984155.db2.gz ZHRUJRMUGVWBKS-SFYZADRCSA-N -1 0 307.349 -0.438 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCOC[C@@]23CCOC3)n[nH]1 ZINC001602291719 1017984349 /nfs/dbraw/zinc/98/43/49/1017984349.db2.gz RTOOZEQXWWIJPD-NSHDSACASA-N -1 0 317.323 -0.712 20 0 DBADRM O=C([O-])c1cc(F)cc(C(=O)NC[C@]2(CO)COCCN2)c1 ZINC001602269647 1017984423 /nfs/dbraw/zinc/98/44/23/1017984423.db2.gz OKRGRBOSSUHZOL-AWEZNQCLSA-N -1 0 312.297 -0.395 20 0 DBADRM O=C([O-])c1cc(F)cc(C(=O)N(CCO)CCOCCO)c1 ZINC001602270271 1017984924 /nfs/dbraw/zinc/98/49/24/1017984924.db2.gz DJLHSUMYQKHLQV-UHFFFAOYSA-N -1 0 315.297 -0.033 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H](CO)[C@H](CCO)C2)c[nH]1 ZINC001602288820 1017986625 /nfs/dbraw/zinc/98/66/25/1017986625.db2.gz KPNRISDKNDVYTB-BDAKNGLRSA-N -1 0 318.351 -0.676 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@H](CO)[C@H](O)c2ccccn2)[nH]1 ZINC001602321039 1017987089 /nfs/dbraw/zinc/98/70/89/1017987089.db2.gz ONTHFVVMHJLFIU-VXGBXAGGSA-N -1 0 305.290 -0.068 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CCO[C@H]([C@@H]3CCCO3)C2)n1 ZINC001602313462 1017987248 /nfs/dbraw/zinc/98/72/48/1017987248.db2.gz KJPHFLXPRBWFES-RYUDHWBXSA-N -1 0 309.322 -0.221 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)[nH]1 ZINC001602318756 1017987279 /nfs/dbraw/zinc/98/72/79/1017987279.db2.gz OHTJOHCSKUOEHT-QWRGUYRKSA-N -1 0 307.306 -0.168 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCOC(=O)C2CC2)c[nH]1 ZINC001602296052 1017988422 /nfs/dbraw/zinc/98/84/22/1017988422.db2.gz KHMUKNWBUOIRJO-UHFFFAOYSA-N -1 0 302.308 -0.056 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCC2(O)CCOCC2)n[nH]1 ZINC001602295299 1017988573 /nfs/dbraw/zinc/98/85/73/1017988573.db2.gz FPDNGOUDQLVYDG-UHFFFAOYSA-N -1 0 319.339 -0.682 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CCN(c3cccnn3)CC2)n1 ZINC001602313516 1017988925 /nfs/dbraw/zinc/98/89/25/1017988925.db2.gz OGHHSPSDQWFKHO-UHFFFAOYSA-N -1 0 316.321 -0.489 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCOCCO)oc1Cl ZINC001602295882 1017989138 /nfs/dbraw/zinc/98/91/38/1017989138.db2.gz BNZWIQJHEQJZGR-UHFFFAOYSA-N -1 0 313.715 -0.082 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CCO[C@@H]([C@H]3CCCO3)C2)n1 ZINC001602313463 1017989448 /nfs/dbraw/zinc/98/94/48/1017989448.db2.gz KJPHFLXPRBWFES-VXGBXAGGSA-N -1 0 309.322 -0.221 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)cn1 ZINC001602318761 1017989789 /nfs/dbraw/zinc/98/97/89/1017989789.db2.gz OKAMTXDWNGDXNR-VXGBXAGGSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)nc1 ZINC001602321056 1017991553 /nfs/dbraw/zinc/99/15/53/1017991553.db2.gz PCQIZBKPZDWPSR-STQMWFEESA-N -1 0 317.301 -0.001 20 0 DBADRM O=C([O-])c1ccc2c(n1)CN(C(=O)C1CS(=O)(=O)C1)CC2 ZINC001602427638 1017992890 /nfs/dbraw/zinc/99/28/90/1017992890.db2.gz ULVJEKMYVUWINC-UHFFFAOYSA-N -1 0 310.331 -0.291 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2COCCN2)c(F)c1 ZINC001602398803 1017993282 /nfs/dbraw/zinc/99/32/82/1017993282.db2.gz LWDVPDVTVSJXSL-VIFPVBQESA-N -1 0 318.326 -0.209 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@H](O)[C@H]2CCCO2)cn1 ZINC001602399716 1017994000 /nfs/dbraw/zinc/99/40/00/1017994000.db2.gz LGTILQVINDXWAP-WDEREUQCSA-N -1 0 316.335 -0.402 20 0 DBADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001602415676 1017994490 /nfs/dbraw/zinc/99/44/90/1017994490.db2.gz OTCCFAORFQFZSE-LBPRGKRZSA-N -1 0 324.358 -0.039 20 0 DBADRM O=C([O-])c1ccc2c(=O)[nH]c(CN3C[C@@H](O)[C@H](CO)C3)nc2c1 ZINC001602417955 1017994584 /nfs/dbraw/zinc/99/45/84/1017994584.db2.gz PFICXCVMTIVVIK-JOYOIKCWSA-N -1 0 319.317 -0.181 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC(CO)(CO)C2)cc1F ZINC001602394389 1017995571 /nfs/dbraw/zinc/99/55/71/1017995571.db2.gz QHBLCTVALXMWQA-UHFFFAOYSA-N -1 0 319.310 -0.501 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CCN(c3nc[nH]n3)CC2)n1 ZINC001602432462 1017996094 /nfs/dbraw/zinc/99/60/94/1017996094.db2.gz LQPSJHNUCANJQW-UHFFFAOYSA-N -1 0 302.294 -0.140 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)o1 ZINC001602395932 1017996512 /nfs/dbraw/zinc/99/65/12/1017996512.db2.gz YKPNHBWIXGIMSI-FHHFXDHISA-N -1 0 305.333 -0.128 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CC(CN3CCOCC3)C2)n1 ZINC001602476989 1017999126 /nfs/dbraw/zinc/99/91/26/1017999126.db2.gz RUGUYAJJVXYFJS-UHFFFAOYSA-N -1 0 308.338 -0.628 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CC[C@@H](c3ncon3)C2)c1=O ZINC001602475588 1017999248 /nfs/dbraw/zinc/99/92/48/1017999248.db2.gz KDUHJYFDYZJTGJ-SECBINFHSA-N -1 0 318.289 -0.054 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2C[C@@H](O)CC3(CCOCC3)C2)n1 ZINC001602476502 1017999458 /nfs/dbraw/zinc/99/94/58/1017999458.db2.gz DEXGJQAUZIGYCT-NSHDSACASA-N -1 0 323.349 -0.029 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)n1 ZINC001602476365 1018000424 /nfs/dbraw/zinc/00/04/24/1018000424.db2.gz ABORQEBTDSQHNG-DMDPSCGWSA-N -1 0 323.349 -0.030 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CC[C@@H](n3cncn3)C2)c1=O ZINC001602476192 1018000578 /nfs/dbraw/zinc/00/05/78/1018000578.db2.gz RUJGYHMGEBAROG-SNVBAGLBSA-N -1 0 317.305 -0.388 20 0 DBADRM O=C([O-])c1cccc(NC(=O)N2CCS(=O)(=O)CCO2)n1 ZINC001602446226 1018000738 /nfs/dbraw/zinc/00/07/38/1018000738.db2.gz OWYVESCGPJXIIB-UHFFFAOYSA-N -1 0 315.307 -0.026 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCN3C(=O)OCC[C@@H]3C2)n1 ZINC001602477106 1018000881 /nfs/dbraw/zinc/00/08/81/1018000881.db2.gz AUBIBJHAPGXNBX-SECBINFHSA-N -1 0 308.294 -0.366 20 0 DBADRM O=C([O-])c1ccccc1C(=O)N[C@@H](CO)CN1CCOCC1 ZINC001602463937 1018001013 /nfs/dbraw/zinc/00/10/13/1018001013.db2.gz VBPXTPDGDRCBFB-LLVKDONJSA-N -1 0 308.334 -0.192 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC001602484299 1018001202 /nfs/dbraw/zinc/00/12/02/1018001202.db2.gz DMAPSVHXBDUXOU-OWXODZSWSA-N -1 0 316.360 -0.326 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)nn1 ZINC001602492747 1018001519 /nfs/dbraw/zinc/00/15/19/1018001519.db2.gz JUSPSIIMBLHJQI-UWVGGRQHSA-N -1 0 310.310 -0.445 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)CN3CCCNC3=O)C2)nn1 ZINC001602492439 1018001569 /nfs/dbraw/zinc/00/15/69/1018001569.db2.gz AAZSWYAHNSVPIK-SECBINFHSA-N -1 0 322.325 -0.835 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)NCc1nnc2n1CCC2 ZINC001602488742 1018002259 /nfs/dbraw/zinc/00/22/59/1018002259.db2.gz SCJMISBJCOFTCS-UHFFFAOYSA-N -1 0 312.307 -0.006 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)c3cc(=O)[nH]cn3)C2)nn1 ZINC001602492153 1018002513 /nfs/dbraw/zinc/00/25/13/1018002513.db2.gz SNQFJGNADQLNFP-QMMMGPOBSA-N -1 0 318.293 -0.051 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)nn1 ZINC001602492746 1018002904 /nfs/dbraw/zinc/00/29/04/1018002904.db2.gz JUSPSIIMBLHJQI-NXEZZACHSA-N -1 0 310.310 -0.445 20 0 DBADRM O=C([O-])c1ccnc(NCCN2CCS(=O)(=O)CC2)n1 ZINC001602484024 1018003144 /nfs/dbraw/zinc/00/31/44/1018003144.db2.gz LHBZPAQMKXBMMO-UHFFFAOYSA-N -1 0 300.340 -0.683 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)NCCn1cnccc1=O ZINC001602488874 1018003476 /nfs/dbraw/zinc/00/34/76/1018003476.db2.gz XHKXLPLONPESDC-UHFFFAOYSA-N -1 0 313.291 -0.487 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N1CC(N2CCCC2=O)C1 ZINC001602487396 1018003532 /nfs/dbraw/zinc/00/35/32/1018003532.db2.gz JEINRYWPXONBIZ-UHFFFAOYSA-N -1 0 314.319 -0.027 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)NC[C@@H](CO)[C@@H]1CCOC1 ZINC001602489107 1018003823 /nfs/dbraw/zinc/00/38/23/1018003823.db2.gz RVXDQKOKSCTIAX-BDAKNGLRSA-N -1 0 319.335 -0.099 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3cnc4n[nH]cc4c3)C2)nn1 ZINC001602502047 1018004664 /nfs/dbraw/zinc/00/46/64/1018004664.db2.gz HDKATSXTRYXUHW-UHFFFAOYSA-N -1 0 313.277 -0.055 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001602501260 1018005469 /nfs/dbraw/zinc/00/54/69/1018005469.db2.gz WGFRUWLJFZEKCD-PTOFAABTSA-N -1 0 322.321 -0.589 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C[C@H]3CCCS3(=O)=O)C2)nn1 ZINC001602498257 1018006290 /nfs/dbraw/zinc/00/62/90/1018006290.db2.gz KRSBMMXVRBOOBZ-VHSXEESVSA-N -1 0 314.367 -0.200 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@](CO)(C(F)(F)F)C2)nn1 ZINC001602501443 1018006580 /nfs/dbraw/zinc/00/65/80/1018006580.db2.gz IHUFFZCLWJEEBU-JTQLQIEISA-N -1 0 322.243 -0.250 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)nn1 ZINC001602492749 1018006667 /nfs/dbraw/zinc/00/66/67/1018006667.db2.gz JUSPSIIMBLHJQI-ZJUUUORDSA-N -1 0 310.310 -0.445 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)c3cc(=O)[nH]cn3)C2)nn1 ZINC001602496848 1018006856 /nfs/dbraw/zinc/00/68/56/1018006856.db2.gz GJZCVPLJCBHXKI-ZETCQYMHSA-N -1 0 304.266 -0.441 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C2CN(CC(F)(F)F)C2)nn1 ZINC001602503605 1018007225 /nfs/dbraw/zinc/00/72/25/1018007225.db2.gz NBGHDGUTZWTCIE-UHFFFAOYSA-N -1 0 321.259 -0.413 20 0 DBADRM O=C([O-])c1cn(C2CN(CN3CC(F)(F)CC3=O)C2)nn1 ZINC001602502326 1018007342 /nfs/dbraw/zinc/00/73/42/1018007342.db2.gz UJIOZHBOZOGFGF-UHFFFAOYSA-N -1 0 301.253 -0.342 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CCC[C@@H]3COC[C@@H]32)nn1 ZINC001602503792 1018007692 /nfs/dbraw/zinc/00/76/92/1018007692.db2.gz VOGYTUJNXLZGHM-KOLCDFICSA-N -1 0 309.326 -0.203 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@@H]2CCc3c[nH]nc3C2)nn1 ZINC001602503904 1018007914 /nfs/dbraw/zinc/00/79/14/1018007914.db2.gz ZISMYOIWBJRFOO-MRVPVSSYSA-N -1 0 304.310 -0.379 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@H](Nc3ncccn3)C2)nn1 ZINC001602503249 1018008354 /nfs/dbraw/zinc/00/83/54/1018008354.db2.gz YPAIEVZTUDYKDN-VIFPVBQESA-N -1 0 317.309 -0.521 20 0 DBADRM O=C([O-])c1cnc(CN2CCN(c3nccnn3)CC2)cn1 ZINC001602520680 1018009336 /nfs/dbraw/zinc/00/93/36/1018009336.db2.gz UPQCAVPEBKJQLI-UHFFFAOYSA-N -1 0 301.310 -0.318 20 0 DBADRM O=C([O-])c1cnc(C(=O)NC[C@]2(OCCO)CCOC2)cn1 ZINC001602508218 1018009626 /nfs/dbraw/zinc/00/96/26/1018009626.db2.gz OGFUCPWMZSXHIR-CYBMUJFWSA-N -1 0 311.294 -0.927 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CC[C@H](n2cncn2)C1 ZINC001602507465 1018009671 /nfs/dbraw/zinc/00/96/71/1018009671.db2.gz BQIFRSCOLQJEGP-ZETCQYMHSA-N -1 0 312.311 -0.665 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCN3C(=O)OCC[C@H]3C2)cn1 ZINC001602507548 1018010800 /nfs/dbraw/zinc/01/08/00/1018010800.db2.gz LLCRVZOSVKPTCG-QMMMGPOBSA-N -1 0 306.278 -0.159 20 0 DBADRM O=C([O-])c1cnc(C(=O)NC[C@@]23COC(=O)N2CCOC3)cn1 ZINC001602508136 1018010843 /nfs/dbraw/zinc/01/08/43/1018010843.db2.gz BQTHXPRHHXJGQG-CYBMUJFWSA-N -1 0 322.277 -0.874 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCC[C@H]1CCOC1=O ZINC001602506599 1018011031 /nfs/dbraw/zinc/01/10/31/1018011031.db2.gz GJNBTRUSNYUVTF-ZETCQYMHSA-N -1 0 317.323 -0.271 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCCNC(=O)c2ccn[nH]2)cn1 ZINC001602508126 1018011756 /nfs/dbraw/zinc/01/17/56/1018011756.db2.gz APIBTYDLKKBIIP-UHFFFAOYSA-N -1 0 304.266 -0.942 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@H](O)COCC1CC1 ZINC001602506619 1018012011 /nfs/dbraw/zinc/01/20/11/1018012011.db2.gz HQHHCYIMAAUQNU-QMMMGPOBSA-N -1 0 319.339 -0.826 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@@H](CO)c1cccnc1 ZINC001602507882 1018012108 /nfs/dbraw/zinc/01/21/08/1018012108.db2.gz NJMNQJIOALMDTL-VIFPVBQESA-N -1 0 312.307 -0.485 20 0 DBADRM O=C([O-])c1cn(CN2CCN(C(=O)N3CCOCC3)CC2)nn1 ZINC001602505504 1018012158 /nfs/dbraw/zinc/01/21/58/1018012158.db2.gz QNBUBLIDJFMQBJ-UHFFFAOYSA-N -1 0 324.341 -0.996 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)nc1 ZINC001602528390 1018012459 /nfs/dbraw/zinc/01/24/59/1018012459.db2.gz ZEGILXKKVPKDOB-MXWKQRLJSA-N -1 0 322.321 -0.981 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CNC(=O)c2cn[nH]n2)C2CC2)nc1 ZINC001602531266 1018013114 /nfs/dbraw/zinc/01/31/14/1018013114.db2.gz XJUAKXPIPJTQBW-VIFPVBQESA-N -1 0 317.309 -0.087 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)[C@@H]2CC2(F)F)nc1 ZINC001602530320 1018013238 /nfs/dbraw/zinc/01/32/38/1018013238.db2.gz QBEBEMSBXUCRGA-YUMQZZPRSA-N -1 0 316.264 -0.281 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)[C@H]2CC23CC3)nc1 ZINC001602529068 1018013605 /nfs/dbraw/zinc/01/36/05/1018013605.db2.gz BIFQFLRFUILZGY-VHSXEESVSA-N -1 0 306.322 -0.136 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)[C@]34C[C@H]3COC4)C2)nc1 ZINC001602526884 1018013904 /nfs/dbraw/zinc/01/39/04/1018013904.db2.gz DLDFMVQINNQJCB-RWSFTLGLSA-N -1 0 318.333 -0.094 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H](NC(=O)c3cnco3)[C@@H](O)C2)nc1 ZINC001602528218 1018014265 /nfs/dbraw/zinc/01/42/65/1018014265.db2.gz URZXSMNRFHGEAX-BDAKNGLRSA-N -1 0 319.277 -0.858 20 0 DBADRM O=C([O-])c1cnc(N2CCN(CCNC(=O)C3CC3)CC2)nc1 ZINC001602527616 1018014503 /nfs/dbraw/zinc/01/45/03/1018014503.db2.gz XUMMEMKZDKMWRP-UHFFFAOYSA-N -1 0 319.365 -0.177 20 0 DBADRM O=C([O-])c1cnn(Cc2nnnn2CC(F)(F)F)c(=O)c1 ZINC001602545897 1018015303 /nfs/dbraw/zinc/01/53/03/1018015303.db2.gz YZNLYFWQGNAGGA-UHFFFAOYSA-N -1 0 304.188 -0.461 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)c1 ZINC001602544893 1018015787 /nfs/dbraw/zinc/01/57/87/1018015787.db2.gz GWZICSWFZVNTKG-ZYHUDNBSSA-N -1 0 322.321 -0.913 20 0 DBADRM O=C([O-])c1coc(C(=O)COC(=O)C2(n3cnnn3)CC2)c1 ZINC001602550053 1018016681 /nfs/dbraw/zinc/01/66/81/1018016681.db2.gz NIWDBDDAQWAQQU-UHFFFAOYSA-N -1 0 306.234 -0.121 20 0 DBADRM O=C([O-])c1cnc(N[C@H]2C[C@H](CNC(=O)c3cn[nH]n3)C2)nc1 ZINC001602534674 1018017084 /nfs/dbraw/zinc/01/70/84/1018017084.db2.gz KNSDDQUVJLYXDY-XWEPSHTISA-N -1 0 317.309 -0.087 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)c2nccs2)n1 ZINC001602572992 1018017811 /nfs/dbraw/zinc/01/78/11/1018017811.db2.gz BRHDJYRYQJSNTB-ZETCQYMHSA-N -1 0 323.334 -0.744 20 0 DBADRM O=C([O-])c1nc(N[C@H](CNC(=O)c2nnc[n-]2)C2CC2)cc[nH+]1 ZINC001602575232 1018019998 /nfs/dbraw/zinc/01/99/98/1018019998.db2.gz XTEWQSUJKMYTEI-MRVPVSSYSA-N -1 0 317.309 -0.665 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)c3cnns3)C2)n1 ZINC001602577122 1018020143 /nfs/dbraw/zinc/02/01/43/1018020143.db2.gz NIJKXBSVVCUZLB-ZETCQYMHSA-N -1 0 320.334 -0.225 20 0 DBADRM O=C([O-])c1nccc(N2C[C@@H](NC(=O)C3CCC3)[C@@H](O)C2)n1 ZINC001602574591 1018020292 /nfs/dbraw/zinc/02/02/92/1018020292.db2.gz VRXMWILHQUOEGU-ZJUUUORDSA-N -1 0 306.322 -0.359 20 0 DBADRM O=C([O-])c1nccc(NC2(CNC(=O)c3cnns3)CC2)n1 ZINC001602574329 1018021495 /nfs/dbraw/zinc/02/14/95/1018021495.db2.gz LKQHQVKFISRCFL-UHFFFAOYSA-N -1 0 320.334 -0.177 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)n1 ZINC001602575171 1018021546 /nfs/dbraw/zinc/02/15/46/1018021546.db2.gz RXPITMORLWBJTG-SECBINFHSA-N -1 0 316.321 -0.425 20 0 DBADRM O=C([O-])c1ncn(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)n1 ZINC001602579988 1018023261 /nfs/dbraw/zinc/02/32/61/1018023261.db2.gz AKFUWEIZOKVMTI-VIFPVBQESA-N -1 0 300.340 -0.415 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NC[C@@]1(O)CCOC1 ZINC001602588690 1018023612 /nfs/dbraw/zinc/02/36/12/1018023612.db2.gz HOTLOOIPONSRCR-VIFPVBQESA-N -1 0 308.337 -0.729 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001602583848 1018023901 /nfs/dbraw/zinc/02/39/01/1018023901.db2.gz SHLWOVRRDBVCSE-TYDGZRNZSA-N -1 0 322.389 -0.265 20 0 DBADRM O=C([O-])c1ncn(CC(=O)N2CCN(C(=O)C3CC3)CC2)n1 ZINC001602580060 1018024004 /nfs/dbraw/zinc/02/40/04/1018024004.db2.gz DWITZUFTRJDZQH-UHFFFAOYSA-N -1 0 307.310 -0.943 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001602628005 1018024489 /nfs/dbraw/zinc/02/44/89/1018024489.db2.gz XZYQMYMMKUEDFD-ZDUSSCGKSA-N -1 0 310.310 -0.709 20 0 DBADRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)c1cn(C(F)(F)CO)nn1 ZINC001602627358 1018025225 /nfs/dbraw/zinc/02/52/25/1018025225.db2.gz CRTPJBQXKZRFTO-HQJQHLMTSA-N -1 0 316.264 -0.101 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2cccnc2N2CCOCC2)C1 ZINC001602628573 1018025618 /nfs/dbraw/zinc/02/56/18/1018025618.db2.gz HXOATCYBSSLNBI-UHFFFAOYSA-N -1 0 307.306 -0.810 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)OC[C@@H]1CN(c2ncccn2)CCO1 ZINC001602616317 1018026003 /nfs/dbraw/zinc/02/60/03/1018026003.db2.gz PTCYJTGLCWSUCL-AXFHLTTASA-N -1 0 307.306 -0.054 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001602627603 1018026088 /nfs/dbraw/zinc/02/60/88/1018026088.db2.gz BXLGEDXFUOKVAE-AWEZNQCLSA-N -1 0 302.290 -0.071 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2cccc(N3CCOC3=O)c2)C1 ZINC001602627001 1018026168 /nfs/dbraw/zinc/02/61/68/1018026168.db2.gz YYASXFOOENPZAW-UHFFFAOYSA-N -1 0 306.274 -0.085 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)c1ccc(O)cc1 ZINC001602633253 1018027636 /nfs/dbraw/zinc/02/76/36/1018027636.db2.gz DKFNMNUTJGJNFC-PRHODGIISA-N -1 0 306.274 -0.313 20 0 DBADRM O=C([O-])c1cc(C2CN(C(=O)NCC[C@@H]3CNC(=O)C3)C2)[nH]n1 ZINC001602633754 1018027940 /nfs/dbraw/zinc/02/79/40/1018027940.db2.gz NVXRIUZJGVCHQP-QMMMGPOBSA-N -1 0 321.337 -0.257 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)C[C@@H]3CCCC(=O)N3)C2)nn1 ZINC001602642388 1018029089 /nfs/dbraw/zinc/02/90/89/1018029089.db2.gz DPNFGCMQXVQMMN-QMMMGPOBSA-N -1 0 307.310 -0.582 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@@H]1CCNC(=O)CC1 ZINC001602640805 1018029123 /nfs/dbraw/zinc/02/91/23/1018029123.db2.gz VQTSRVKMGVLOMQ-UWVGGRQHSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CC[C@]3(CNC(=O)C3)C2)CCC1 ZINC001602640091 1018029903 /nfs/dbraw/zinc/02/99/03/1018029903.db2.gz SZFUYQXGPYRZTA-NSHDSACASA-N -1 0 302.352 -0.465 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC001602640087 1018030325 /nfs/dbraw/zinc/03/03/25/1018030325.db2.gz SOVFZJOEWMDZQX-JTQLQIEISA-N -1 0 323.280 -0.003 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=NN(CCO)C(=O)CC1)CC2 ZINC001602642447 1018030420 /nfs/dbraw/zinc/03/04/20/1018030420.db2.gz MUHWYIXUBOATJJ-ABAIWWIYSA-N -1 0 323.349 -0.187 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC001602642300 1018030802 /nfs/dbraw/zinc/03/08/02/1018030802.db2.gz CJSJUDCSGPZMTH-NAKRPEOUSA-N -1 0 323.349 -0.907 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCCCN2CCCCCC2=O)C1 ZINC001602644395 1018031752 /nfs/dbraw/zinc/03/17/52/1018031752.db2.gz YABVLTIGRCPAAO-UHFFFAOYSA-N -1 0 313.354 -0.380 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2CCNC(=O)CC2)n1 ZINC001602645078 1018031883 /nfs/dbraw/zinc/03/18/83/1018031883.db2.gz WBQMXBVNAWDBRJ-UHFFFAOYSA-N -1 0 306.278 -0.933 20 0 DBADRM O=C([O-])c1cccc2c1CCN2C(=O)CN1CC(=O)NC1=O ZINC001602649275 1018032233 /nfs/dbraw/zinc/03/22/33/1018032233.db2.gz PZFAXDDQNIMVRG-UHFFFAOYSA-N -1 0 303.274 -0.174 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(C(=O)CN1CCC(=O)NC1=O)CC2 ZINC001602647219 1018032624 /nfs/dbraw/zinc/03/26/24/1018032624.db2.gz XXWKEPXYMFDGQI-VIFPVBQESA-N -1 0 309.322 -0.358 20 0 DBADRM O=C(CN1CCNC(=O)C1)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001602649123 1018032751 /nfs/dbraw/zinc/03/27/51/1018032751.db2.gz NMSMDLPGACEOGM-GFCCVEGCSA-N -1 0 311.382 -0.042 20 0 DBADRM O=C([O-])c1cnc(NC/C=C/CNC(=O)[C@@H]2CCC(=O)N2)nc1 ZINC001602647393 1018032886 /nfs/dbraw/zinc/03/28/86/1018032886.db2.gz SCLMCGKHXQGGRY-YOLVWIGZSA-N -1 0 319.321 -0.462 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]2CCC[C@@H]21 ZINC001602649227 1018032984 /nfs/dbraw/zinc/03/29/84/1018032984.db2.gz OYEWPXBAMCGTIZ-UTLUCORTSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])C1(NC(=O)c2ccnc3c2CC(=O)N3)CC(CO)C1 ZINC001602653338 1018033368 /nfs/dbraw/zinc/03/33/68/1018033368.db2.gz PNVDODMVSBIKIZ-UHFFFAOYSA-N -1 0 305.290 -0.468 20 0 DBADRM O=C([O-])C1(NC(=O)c2ccnc3c2CC(=O)N3)CCOCC1 ZINC001602654125 1018033724 /nfs/dbraw/zinc/03/37/24/1018033724.db2.gz GRMPQXBMWDNFDF-UHFFFAOYSA-N -1 0 305.290 -0.060 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2cnc3c(c2)NC(=O)CS3)C1 ZINC001602653933 1018034355 /nfs/dbraw/zinc/03/43/55/1018034355.db2.gz YSAWVWFYFQBKAS-ZDUSSCGKSA-N -1 0 323.330 -0.213 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCN2C(=O)CSC2=O)CC1 ZINC001602652645 1018034647 /nfs/dbraw/zinc/03/46/47/1018034647.db2.gz CNKPIOKXRZZFGQ-UHFFFAOYSA-N -1 0 322.364 -0.534 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2cnc3c(c2)NC(=O)CS3)C1 ZINC001602653266 1018034775 /nfs/dbraw/zinc/03/47/75/1018034775.db2.gz OHEIZKZVPBEIES-UHFFFAOYSA-N -1 0 309.303 -0.603 20 0 DBADRM O=C([O-])c1nccnc1NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC001602655513 1018035618 /nfs/dbraw/zinc/03/56/18/1018035618.db2.gz SGIFUXGYEPUYNS-CPFSXVBKSA-N -1 0 305.294 -0.035 20 0 DBADRM O=C(NC1CCC2(CC1)NC(=O)NC2=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001602655220 1018035646 /nfs/dbraw/zinc/03/56/46/1018035646.db2.gz ORFMNDIRUWBQLX-FIMLBJSESA-N -1 0 309.322 -0.266 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H]2CCC[C@]23NC(=O)NC3=O)nc1 ZINC001602655709 1018035829 /nfs/dbraw/zinc/03/58/29/1018035829.db2.gz SYWVPJOPVDQXFA-SDBXPKJASA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)[C@H]1CCOC(=O)N1 ZINC001602656467 1018036168 /nfs/dbraw/zinc/03/61/68/1018036168.db2.gz ORPDWGQPPGAOPN-HTQZYQBOSA-N -1 0 302.283 -0.793 20 0 DBADRM O=C([O-])c1cc(NC[C@H]2CCC[C@@]23NC(=O)NC3=O)ncn1 ZINC001602655176 1018036215 /nfs/dbraw/zinc/03/62/15/1018036215.db2.gz NKSXILMNALRMNM-FUXBKTLASA-N -1 0 305.294 -0.035 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c[nH]1 ZINC001602655194 1018037091 /nfs/dbraw/zinc/03/70/91/1018037091.db2.gz NVWYIYAHUBDWSD-RMLUDKJBSA-N -1 0 320.305 -0.179 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)N1CCN3C(=O)NC(=O)[C@@H]3C1)C2 ZINC001602655289 1018037318 /nfs/dbraw/zinc/03/73/18/1018037318.db2.gz BWNPREIHRZUXOF-JWUFEOHASA-N -1 0 322.321 -0.815 20 0 DBADRM O=C([O-])C1([C@@]2(O)CCCN(C(=O)[C@H]3CCNC3=O)C2)CCC1 ZINC001602657959 1018037659 /nfs/dbraw/zinc/03/76/59/1018037659.db2.gz FDHAWQRBDVNWNR-ZUZCIYMTSA-N -1 0 310.350 -0.269 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@@H]2CCc3ccccc3NC2=O)C1 ZINC001602661042 1018037937 /nfs/dbraw/zinc/03/79/37/1018037937.db2.gz NFECUBBXKWTVKL-LLVKDONJSA-N -1 0 319.317 -0.219 20 0 DBADRM O=C([O-])C12CC(C(=O)NC[C@]34COC(=O)N3CCOC4)(C1)C2 ZINC001602660788 1018038495 /nfs/dbraw/zinc/03/84/95/1018038495.db2.gz HCWQRYJWNMPBDL-RUXDESIVSA-N -1 0 310.306 -0.421 20 0 DBADRM O=C([O-])c1ccc(F)c(CN2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC001602660272 1018038687 /nfs/dbraw/zinc/03/86/87/1018038687.db2.gz YTMBUUVSCMXXGL-NSHDSACASA-N -1 0 321.308 -0.334 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3F)C1 ZINC001602658738 1018038801 /nfs/dbraw/zinc/03/88/01/1018038801.db2.gz KECUNDCTTTXIJI-QMMMGPOBSA-N -1 0 308.265 -0.091 20 0 DBADRM O=C([O-])[C@@]1(NS(=O)(=O)CCN2CCOC2=O)CCSC1 ZINC001602663536 1018039108 /nfs/dbraw/zinc/03/91/08/1018039108.db2.gz UGCFXMUUXVCINL-SNVBAGLBSA-N -1 0 324.380 -0.682 20 0 DBADRM O=C([O-])C1CCN(C(=O)Cn2cc3c(n2)CCCNC3=O)CC1 ZINC001602658638 1018039233 /nfs/dbraw/zinc/03/92/33/1018039233.db2.gz PKZIXNHDPIZITC-UHFFFAOYSA-N -1 0 320.349 -0.118 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)C1 ZINC001602657926 1018039746 /nfs/dbraw/zinc/03/97/46/1018039746.db2.gz IWYXXNSICGOCRM-BDAKNGLRSA-N -1 0 321.293 -0.710 20 0 DBADRM O=Cc1ccc(OCC(=O)NCCn2cc(C(=O)[O-])nn2)cc1 ZINC001602667319 1018040411 /nfs/dbraw/zinc/04/04/11/1018040411.db2.gz XPZMKBRJFAHXRD-UHFFFAOYSA-N -1 0 318.289 -0.016 20 0 DBADRM CCCCC(=O)N[C@H](CC)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001499248915 1018041323 /nfs/dbraw/zinc/04/13/23/1018041323.db2.gz JTQZMIGBQBXHPB-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM O=Cc1ccc(CC(=O)N[C@H](Cn2cncn2)C(=O)[O-])cc1 ZINC001602666878 1018041730 /nfs/dbraw/zinc/04/17/30/1018041730.db2.gz JZIHKHJEBFXBJA-GFCCVEGCSA-N -1 0 302.290 -0.097 20 0 DBADRM CN1CC[C@H](CC(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)C1=O ZINC001499258915 1018048319 /nfs/dbraw/zinc/04/83/19/1018048319.db2.gz JLEXAQHSZLOAJY-SECBINFHSA-N -1 0 322.369 -0.883 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001602751028 1018056723 /nfs/dbraw/zinc/05/67/23/1018056723.db2.gz LCZQGAHKJFOGOP-JTQLQIEISA-N -1 0 320.305 -0.545 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)CCCC(=O)[O-])C1 ZINC001602751007 1018057109 /nfs/dbraw/zinc/05/71/09/1018057109.db2.gz JNTYXPBSYQYVCZ-NSHDSACASA-N -1 0 314.338 -0.088 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001602752442 1018057436 /nfs/dbraw/zinc/05/74/36/1018057436.db2.gz CYVCABCEGRBKSZ-VIFPVBQESA-N -1 0 300.311 -0.623 20 0 DBADRM CC(=O)N1CCC[C@H](CNC(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001602745198 1018057782 /nfs/dbraw/zinc/05/77/82/1018057782.db2.gz QQKZOUKCVAWEJA-SNVBAGLBSA-N -1 0 309.326 -0.649 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001602760926 1018058822 /nfs/dbraw/zinc/05/88/22/1018058822.db2.gz QVUCWRUAUXMKKH-WDEREUQCSA-N -1 0 314.338 -0.234 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])C(N)=O ZINC001602760571 1018059568 /nfs/dbraw/zinc/05/95/68/1018059568.db2.gz MUCXZVOUEVGAMM-UWVGGRQHSA-N -1 0 315.370 -0.238 20 0 DBADRM CC(=O)NCC[C@@H]1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001602753948 1018061268 /nfs/dbraw/zinc/06/12/68/1018061268.db2.gz XNYJXFPWVKJJEB-NSHDSACASA-N -1 0 323.353 -0.259 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])n1cccc1 ZINC001602789757 1018063209 /nfs/dbraw/zinc/06/32/09/1018063209.db2.gz WBHNLNASAKQOCU-ZJUUUORDSA-N -1 0 300.336 -0.241 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001602800507 1018066224 /nfs/dbraw/zinc/06/62/24/1018066224.db2.gz DLVUQOFYUPYOFU-YGOYTEALSA-N -1 0 305.352 -0.440 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N2CC[C@H](NC(N)=O)C2)n1 ZINC001602838797 1018068384 /nfs/dbraw/zinc/06/83/84/1018068384.db2.gz GODYJWFXSMNBRW-QMMMGPOBSA-N -1 0 324.341 -0.023 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001602871855 1018073684 /nfs/dbraw/zinc/07/36/84/1018073684.db2.gz UIZAODONXHHCHM-DTWKUNHWSA-N -1 0 306.384 -0.069 20 0 DBADRM CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)C(=O)[O-])CC1 ZINC001602903524 1018075155 /nfs/dbraw/zinc/07/51/55/1018075155.db2.gz ICSGYNZWOTVQJK-UHFFFAOYSA-N -1 0 302.327 -0.051 20 0 DBADRM CC(=O)N1CC[C@@H](OC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001602931212 1018079465 /nfs/dbraw/zinc/07/94/65/1018079465.db2.gz XTWXDPGMMQGQRT-VXNVDRBHSA-N -1 0 320.313 -0.817 20 0 DBADRM CC(C)(CCN1CCOCC1)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001602938736 1018083000 /nfs/dbraw/zinc/08/30/00/1018083000.db2.gz UMILGDGYRHFGBL-NSHDSACASA-N -1 0 313.354 -0.167 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC001602966071 1018084505 /nfs/dbraw/zinc/08/45/05/1018084505.db2.gz TXEINHJBMPZSLI-AXFHLTTASA-N -1 0 319.379 -0.242 20 0 DBADRM C/C(=C\C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1)C1CC1 ZINC001602952511 1018084946 /nfs/dbraw/zinc/08/49/46/1018084946.db2.gz GWRZXLQKCZFQJI-YSNYMODTSA-N -1 0 322.361 -0.247 20 0 DBADRM C/C(=C/CNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC001602963528 1018085872 /nfs/dbraw/zinc/08/58/72/1018085872.db2.gz FQPSHZBOTJICMC-WXOLFVLTSA-N -1 0 307.306 -0.756 20 0 DBADRM C/C(=C/C(=O)[O-])CN(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001602954188 1018086192 /nfs/dbraw/zinc/08/61/92/1018086192.db2.gz CRDOHCUWMBNPLU-HYHWUIIZSA-N -1 0 304.368 -0.748 20 0 DBADRM C/C(=C/C(=O)[O-])CN1CCCN(S(=O)(=O)N(C)C)CC1 ZINC001602957859 1018086768 /nfs/dbraw/zinc/08/67/68/1018086768.db2.gz JZKODDUFWBBXNL-LUAWRHEFSA-N -1 0 305.400 -0.169 20 0 DBADRM CC(C)(O)CCNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001602955044 1018087365 /nfs/dbraw/zinc/08/73/65/1018087365.db2.gz WKSCRFOVMBFADH-SNVBAGLBSA-N -1 0 315.370 -0.088 20 0 DBADRM C/C(=C\CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC001602963524 1018087409 /nfs/dbraw/zinc/08/74/09/1018087409.db2.gz FQPSHZBOTJICMC-HSKKLARCSA-N -1 0 307.306 -0.756 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001602970545 1018088008 /nfs/dbraw/zinc/08/80/08/1018088008.db2.gz XYTGACMGKBKBRE-SNVBAGLBSA-N -1 0 321.337 -0.557 20 0 DBADRM CC(C)[C@H](CNC(=O)N1C[C@H](CO)[C@H](CCO)C1)C(=O)[O-] ZINC001602978780 1018090162 /nfs/dbraw/zinc/09/01/62/1018090162.db2.gz SJMLGGFYULBPBW-UTUOFQBUSA-N -1 0 302.371 -0.025 20 0 DBADRM CC(C)[C@H](CNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC001602978731 1018091055 /nfs/dbraw/zinc/09/10/55/1018091055.db2.gz OWYVEAVHANGMCS-ZJUUUORDSA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001602999625 1018093391 /nfs/dbraw/zinc/09/33/91/1018093391.db2.gz IDVBMBYCTBWSIB-JTQLQIEISA-N -1 0 324.337 -0.210 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001602994195 1018094106 /nfs/dbraw/zinc/09/41/06/1018094106.db2.gz ZDCLXCTVLIQNPY-IVZWLZJFSA-N -1 0 306.384 -0.070 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)CCN(C)c1ncc(C(=O)[O-])cn1 ZINC001603005940 1018095476 /nfs/dbraw/zinc/09/54/76/1018095476.db2.gz ZURPLQMPLNBIHA-UHFFFAOYSA-N -1 0 323.353 -0.452 20 0 DBADRM C[C@@H](C(=O)NCCC1(CO)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603016205 1018098200 /nfs/dbraw/zinc/09/82/00/1018098200.db2.gz UIVASPQYBDPJEQ-QMMMGPOBSA-N -1 0 306.330 -0.702 20 0 DBADRM CC(C)C[C@@H](CNC(=O)NCC1(S(N)(=O)=O)CC1)C(=O)[O-] ZINC001603011710 1018098388 /nfs/dbraw/zinc/09/83/88/1018098388.db2.gz DDNHNWJJKFGCAZ-VIFPVBQESA-N -1 0 321.399 -0.146 20 0 DBADRM C[C@@H](C(=O)NCCc1cnn(C)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001603017708 1018098672 /nfs/dbraw/zinc/09/86/72/1018098672.db2.gz WPHRWMOBFIASRI-QMMMGPOBSA-N -1 0 316.329 -0.888 20 0 DBADRM C[C@@H](C(=O)NCCC1CCOCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603014696 1018099467 /nfs/dbraw/zinc/09/94/67/1018099467.db2.gz FIKZQTFAFZGXNO-VIFPVBQESA-N -1 0 320.357 -0.048 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCCC1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001603013284 1018099609 /nfs/dbraw/zinc/09/96/09/1018099609.db2.gz SUDIIPOEBAVYFF-YUMQZZPRSA-N -1 0 304.314 -0.495 20 0 DBADRM C[C@H](C(=O)NC[C@]1(C)CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603012691 1018100018 /nfs/dbraw/zinc/10/00/18/1018100018.db2.gz NNNAVTRDAFFUND-PELKAZGASA-N -1 0 306.330 -0.438 20 0 DBADRM C[C@@H](C(=O)NCCC[C@@H]1CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603014644 1018100074 /nfs/dbraw/zinc/10/00/74/1018100074.db2.gz CZZSXGYPEYOJAS-VHSXEESVSA-N -1 0 320.357 -0.048 20 0 DBADRM CC(C)C[C@H](CO)N(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001603018115 1018100190 /nfs/dbraw/zinc/10/01/90/1018100190.db2.gz MEZIFXWMKBBHJG-WDEREUQCSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@@H](C(=O)NCc1cscn1)n1cnc(-c2nnn[n-]2)n1 ZINC001603019490 1018100241 /nfs/dbraw/zinc/10/02/41/1018100241.db2.gz HZVGOTBCOMCYQV-LURJTMIESA-N -1 0 305.327 -0.208 20 0 DBADRM C[C@H](C(=O)NCC1=CCCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603012173 1018100579 /nfs/dbraw/zinc/10/05/79/1018100579.db2.gz JDEFGSIDMHAWQZ-MRVPVSSYSA-N -1 0 304.314 -0.518 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CC[C@@H](CO)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603022699 1018102193 /nfs/dbraw/zinc/10/21/93/1018102193.db2.gz BDNLYXDWCZVUCU-LPEHRKFASA-N -1 0 320.357 -0.314 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001603020354 1018102336 /nfs/dbraw/zinc/10/23/36/1018102336.db2.gz ICKBYCBBRIGOJF-BXUZGUMPSA-N -1 0 309.322 -0.171 20 0 DBADRM CC(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001603021030 1018103858 /nfs/dbraw/zinc/10/38/58/1018103858.db2.gz VFSKJJXLUJMYOJ-RYUDHWBXSA-N -1 0 308.338 -0.077 20 0 DBADRM CC(=O)N1CC[C@@H](n2nnnc2N2CCC(C(=O)[O-])CC2)C1 ZINC001603029072 1018104626 /nfs/dbraw/zinc/10/46/26/1018104626.db2.gz RJVGKCCNCIAOTC-LLVKDONJSA-N -1 0 308.342 -0.233 20 0 DBADRM CC(=O)N1C[C@@H]2CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C[C@@H]2C1 ZINC001603030280 1018104830 /nfs/dbraw/zinc/10/48/30/1018104830.db2.gz BXQKGWRLVJXODR-IEBDPFPHSA-N -1 0 304.368 -0.553 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001603024468 1018105351 /nfs/dbraw/zinc/10/53/51/1018105351.db2.gz MVTYSCWTYQRLQL-UHFFFAOYSA-N -1 0 309.322 -0.128 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001603021032 1018105379 /nfs/dbraw/zinc/10/53/79/1018105379.db2.gz VFSKJJXLUJMYOJ-VXGBXAGGSA-N -1 0 308.338 -0.077 20 0 DBADRM C[C@@H](C(=O)NC1=CC=NCC1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001603029570 1018105701 /nfs/dbraw/zinc/10/57/01/1018105701.db2.gz APZAPHFWQJGDJL-LURJTMIESA-N -1 0 301.270 -0.820 20 0 DBADRM CC(=O)N1CCCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001603020142 1018105747 /nfs/dbraw/zinc/10/57/47/1018105747.db2.gz CMGSXFZBXDORLC-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM CC(=O)N[C@H](C(=O)OCC(=O)NCCC(=O)[O-])C1CCCC1 ZINC001603035151 1018108649 /nfs/dbraw/zinc/10/86/49/1018108649.db2.gz MLHJAGIOICHBOZ-ZDUSSCGKSA-N -1 0 314.338 -0.185 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC001603042003 1018108872 /nfs/dbraw/zinc/10/88/72/1018108872.db2.gz CUZDACWEEJHQAC-CYBMUJFWSA-N -1 0 308.290 -0.392 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N(CC(=O)[O-])C1CCCCC1)C(N)=O ZINC001603052154 1018112736 /nfs/dbraw/zinc/11/27/36/1018112736.db2.gz GWIMLCXPERNOOH-NSHDSACASA-N -1 0 313.354 -0.388 20 0 DBADRM CC(C)C[C@H](NS(=O)(=O)CCN1CCOC1=O)C(=O)[O-] ZINC001603050288 1018113998 /nfs/dbraw/zinc/11/39/98/1018113998.db2.gz RITSXHFFNWIPED-VIFPVBQESA-N -1 0 308.356 -0.143 20 0 DBADRM CC(C)C[C@H](NC(=O)C(=O)Nc1cccn(C)c1=O)C(=O)[O-] ZINC001603048127 1018115704 /nfs/dbraw/zinc/11/57/04/1018115704.db2.gz KMCMBVDPHPWFPZ-JTQLQIEISA-N -1 0 309.322 -0.061 20 0 DBADRM CC(C)(C)OC(=O)NCC[C@H](O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001603095513 1018117262 /nfs/dbraw/zinc/11/72/62/1018117262.db2.gz QDLIFMFAVUJUIL-QMMMGPOBSA-N -1 0 324.345 -0.266 20 0 DBADRM CC(C)c1nc(CCNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)n(C)n1 ZINC001603107086 1018117405 /nfs/dbraw/zinc/11/74/05/1018117405.db2.gz LTEXPQWHTNWXRP-VIFPVBQESA-N -1 0 309.326 -0.173 20 0 DBADRM CC(=O)OCCCS(=O)(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001603088126 1018117470 /nfs/dbraw/zinc/11/74/70/1018117470.db2.gz SMOYBRXIAJSULI-YUMQZZPRSA-N -1 0 315.294 -0.175 20 0 DBADRM CC(=O)c1[nH]c(CC(=O)N[C@@H]2CNC(=O)C2)c(C(=O)[O-])c1C ZINC001603093400 1018117707 /nfs/dbraw/zinc/11/77/07/1018117707.db2.gz JPSOBCUXYURVLT-QMMMGPOBSA-N -1 0 307.306 -0.229 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC001603124912 1018121391 /nfs/dbraw/zinc/12/13/91/1018121391.db2.gz ZKHMXDUCIIIODK-MRVPVSSYSA-N -1 0 316.335 -0.308 20 0 DBADRM C[C@@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])n1ccnc1 ZINC001603138627 1018121883 /nfs/dbraw/zinc/12/18/83/1018121883.db2.gz RVBPCPLBPHEURL-LBPRGKRZSA-N -1 0 310.354 -0.311 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC(=O)N(C2CC2)C1 ZINC001603139227 1018123515 /nfs/dbraw/zinc/12/35/15/1018123515.db2.gz AWMONUCNDXBJPQ-SNVBAGLBSA-N -1 0 309.366 -0.038 20 0 DBADRM CC(C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1)=C1CCC1 ZINC001603139419 1018123579 /nfs/dbraw/zinc/12/35/79/1018123579.db2.gz CPWQJMNDGQSVCC-RYUDHWBXSA-N -1 0 322.361 -0.103 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N[C@H](C)c1nnnn1C1CC1)C(=O)[O-] ZINC001603145280 1018124798 /nfs/dbraw/zinc/12/47/98/1018124798.db2.gz ORCVHQKIWFCFMP-HTQZYQBOSA-N -1 0 324.341 -0.636 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1=O ZINC001603145255 1018125921 /nfs/dbraw/zinc/12/59/21/1018125921.db2.gz ODGMYIDCNYKRAH-VHSXEESVSA-N -1 0 313.354 -0.709 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CC[C@H](C(=O)N(C)C)C1)C(=O)[O-] ZINC001603144941 1018126097 /nfs/dbraw/zinc/12/60/97/1018126097.db2.gz JWQWZABDYOBTGH-UWVGGRQHSA-N -1 0 313.354 -0.898 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@](C)(CO)C1)C(=O)[O-] ZINC001603145447 1018126791 /nfs/dbraw/zinc/12/67/91/1018126791.db2.gz RABPTXYDPSZQRY-YGRLFVJLSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NCC1CC2(C1)OCCO2)C(=O)[O-] ZINC001603144585 1018126836 /nfs/dbraw/zinc/12/68/36/1018126836.db2.gz BOBJYGXWUYAVEV-SECBINFHSA-N -1 0 314.338 -0.565 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@](C)(CO)C1)C(=O)[O-] ZINC001603145442 1018127655 /nfs/dbraw/zinc/12/76/55/1018127655.db2.gz RABPTXYDPSZQRY-HZMBPMFUSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCO[C@]2(CCOC2)C1)C(=O)[O-] ZINC001603145298 1018127701 /nfs/dbraw/zinc/12/77/01/1018127701.db2.gz OVSNMBWXVONNKM-IINYFYTJSA-N -1 0 314.338 -0.817 20 0 DBADRM CC(C)(CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)OCC1CC1 ZINC001603143965 1018128070 /nfs/dbraw/zinc/12/80/70/1018128070.db2.gz MSXXISXEUXHKEJ-UHFFFAOYSA-N -1 0 320.357 -0.220 20 0 DBADRM C[C@H](C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-])S(C)(=O)=O ZINC001603155458 1018129619 /nfs/dbraw/zinc/12/96/19/1018129619.db2.gz PEUSKKGGNCGUQV-SFYZADRCSA-N -1 0 309.340 -0.858 20 0 DBADRM C[C@H](C(=O)NC1(C(=O)[O-])CC(CO)C1)[C@H](C)S(C)(=O)=O ZINC001603154448 1018130659 /nfs/dbraw/zinc/13/06/59/1018130659.db2.gz DZRQXESYOIUBPN-WBPGALJLSA-N -1 0 307.368 -0.603 20 0 DBADRM C[C@H](CN(C)C(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001603155563 1018131020 /nfs/dbraw/zinc/13/10/20/1018131020.db2.gz DDCPOEGIPMFMEJ-SSDOTTSWSA-N -1 0 301.324 -0.478 20 0 DBADRM C[C@H](CN1CCCC1=O)NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001603158630 1018131287 /nfs/dbraw/zinc/13/12/87/1018131287.db2.gz BPPHUMKIBBNNNY-NXEZZACHSA-N -1 0 313.354 -0.707 20 0 DBADRM C[C@H](C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-])[C@@H]1CCC(=O)N1 ZINC001603155114 1018131914 /nfs/dbraw/zinc/13/19/14/1018131914.db2.gz OKBWMXIBROLICS-GUBZILKMSA-N -1 0 314.338 -0.376 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])Cn1cccn1 ZINC001603158950 1018135780 /nfs/dbraw/zinc/13/57/80/1018135780.db2.gz MTBCKNJEDMAOQB-GHMZBOCLSA-N -1 0 310.354 -0.186 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC2(CCC2)S(=O)(=O)CC1 ZINC001603159795 1018136123 /nfs/dbraw/zinc/13/61/23/1018136123.db2.gz FTUCSETWHMMTEZ-SNVBAGLBSA-N -1 0 318.395 -0.381 20 0 DBADRM C[C@H](C(=O)NC[C@]1(C(=O)[O-])CCOC1)[C@@H](C)S(C)(=O)=O ZINC001603164277 1018136664 /nfs/dbraw/zinc/13/66/64/1018136664.db2.gz LMPYTMKBNSRUTQ-YGOYTEALSA-N -1 0 307.368 -0.337 20 0 DBADRM C[C@H](CNC(=O)N1CCN(Cc2nccn2C)CC1)C(=O)[O-] ZINC001603175498 1018140049 /nfs/dbraw/zinc/14/00/49/1018140049.db2.gz QUAWRTKLHGXGJY-LLVKDONJSA-N -1 0 309.370 -0.032 20 0 DBADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])s1)N1CCNCC1=O ZINC001603167944 1018140945 /nfs/dbraw/zinc/14/09/45/1018140945.db2.gz LKBQHOHNENUATH-MRVPVSSYSA-N -1 0 311.363 -0.117 20 0 DBADRM C[C@@H](CNC(=O)NC[C@]12COC(=O)N1CCOC2)C(=O)[O-] ZINC001603176398 1018141316 /nfs/dbraw/zinc/14/13/16/1018141316.db2.gz DFRGNJXPCWYGNP-UFBFGSQYSA-N -1 0 301.299 -0.773 20 0 DBADRM C[C@H](C(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1)n1cccn1 ZINC001603173988 1018142290 /nfs/dbraw/zinc/14/22/90/1018142290.db2.gz XJNDBFVSSIVBQG-VHSXEESVSA-N -1 0 318.337 -0.029 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)CN(C)S(=O)(=O)N(C)C)C1CCC1 ZINC001603196375 1018144291 /nfs/dbraw/zinc/14/42/91/1018144291.db2.gz SFNDZHASKLFROK-SECBINFHSA-N -1 0 321.399 -0.421 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001603199998 1018144604 /nfs/dbraw/zinc/14/46/04/1018144604.db2.gz YYAFBXUNFKWBTA-SECBINFHSA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@H](CNC(=O)c1cn(CC(=O)[O-])nn1)CC1(C)OCCO1 ZINC001603191566 1018145117 /nfs/dbraw/zinc/14/51/17/1018145117.db2.gz XBJMLYYNCYYLEL-VIFPVBQESA-N -1 0 312.326 -0.118 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001603207039 1018146705 /nfs/dbraw/zinc/14/67/05/1018146705.db2.gz HKASJELPXHHHRW-JTQLQIEISA-N -1 0 308.338 -0.646 20 0 DBADRM CC(C)[C@@H](C)N(C)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001603211140 1018147734 /nfs/dbraw/zinc/14/77/34/1018147734.db2.gz MLGMEPGZOZAQAA-MRVPVSSYSA-N -1 0 321.341 -0.368 20 0 DBADRM C[C@@H](NC(=O)C(=O)NCCC(=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC001603210757 1018147908 /nfs/dbraw/zinc/14/79/08/1018147908.db2.gz NBLUUFLBHAQYSG-VHSXEESVSA-N -1 0 313.354 -0.517 20 0 DBADRM C[C@H]([C@H](C)NC(=O)C(=O)NCCCC(=O)[O-])N1CCOCC1 ZINC001603210997 1018148277 /nfs/dbraw/zinc/14/82/77/1018148277.db2.gz QWXCXVTWCPXWCQ-WDEREUQCSA-N -1 0 315.370 -0.807 20 0 DBADRM CC(C)[C@H](O)CCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001603231002 1018149432 /nfs/dbraw/zinc/14/94/32/1018149432.db2.gz IHSOLGMAGYEQBM-SECBINFHSA-N -1 0 323.361 -0.836 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1CCCN1Cc1ccccn1)C(=O)[O-] ZINC001603256029 1018149887 /nfs/dbraw/zinc/14/98/87/1018149887.db2.gz CGRCEHGYWDVIRK-DOMZBBRYSA-N -1 0 307.350 -0.002 20 0 DBADRM C[C@H]([C@H](C)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)S(C)(=O)=O ZINC001603230257 1018150636 /nfs/dbraw/zinc/15/06/36/1018150636.db2.gz QOEPXJRPKXTDDQ-JLIMGVALSA-N -1 0 307.368 -0.101 20 0 DBADRM C[C@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)c1ncn(C)n1 ZINC001603240337 1018151440 /nfs/dbraw/zinc/15/14/40/1018151440.db2.gz HNGTYLLUXGCTBS-QMMMGPOBSA-N -1 0 305.294 -0.448 20 0 DBADRM CC(C)(C(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001603235776 1018151811 /nfs/dbraw/zinc/15/18/11/1018151811.db2.gz XPIPBNXDYCAMEA-SNVBAGLBSA-N -1 0 322.365 -0.078 20 0 DBADRM CC(C)[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCO1 ZINC001603246749 1018151841 /nfs/dbraw/zinc/15/18/41/1018151841.db2.gz WBZJAWXAWFFIMW-JTQLQIEISA-N -1 0 320.357 -0.268 20 0 DBADRM CC(C)[C@H](F)C(=O)NCCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001603225838 1018152254 /nfs/dbraw/zinc/15/22/54/1018152254.db2.gz XAUVSRPHZMTBAS-JTQLQIEISA-N -1 0 322.348 -0.009 20 0 DBADRM CC(C)(C(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1)c1c[nH]cn1 ZINC001603235313 1018152515 /nfs/dbraw/zinc/15/25/15/1018152515.db2.gz LWFWGKVDHNEQFH-UWVGGRQHSA-N -1 0 320.349 -0.265 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC001603256430 1018153361 /nfs/dbraw/zinc/15/33/61/1018153361.db2.gz QCFZBULMKKZSOE-LBPRGKRZSA-N -1 0 320.223 -0.006 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603265054 1018154676 /nfs/dbraw/zinc/15/46/76/1018154676.db2.gz GCWWZCIVOQOFDI-CPCISQLKSA-N -1 0 310.310 -0.818 20 0 DBADRM C[C@@](O)(CNC(=O)c1cccc(CS(C)(=O)=O)c1)C(=O)[O-] ZINC001603262001 1018154861 /nfs/dbraw/zinc/15/48/61/1018154861.db2.gz ZXYOBNPUVBSROY-CYBMUJFWSA-N -1 0 315.347 -0.203 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)C2(CC(=O)[O-])CCOCC2)CCO1 ZINC001603264721 1018155770 /nfs/dbraw/zinc/15/57/70/1018155770.db2.gz BOKIRDOJFGVWRL-WDEREUQCSA-N -1 0 301.339 -0.134 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1cnn(C2CCC2)c1)C(=O)[O-] ZINC001603263615 1018156063 /nfs/dbraw/zinc/15/60/63/1018156063.db2.gz NVJRCHZEKBZUBL-LLVKDONJSA-N -1 0 303.340 -0.278 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-] ZINC001603263855 1018156350 /nfs/dbraw/zinc/15/63/50/1018156350.db2.gz SSLJLBIROJPOKN-GFCCVEGCSA-N -1 0 315.303 -0.529 20 0 DBADRM C[C@](O)(CNS(=O)(=O)CCOCC1CCCC1)C(=O)[O-] ZINC001603263406 1018157117 /nfs/dbraw/zinc/15/71/17/1018157117.db2.gz JMZPSHRFEMWSQA-LBPRGKRZSA-N -1 0 309.384 -0.052 20 0 DBADRM CC(C)(C(N)=O)C(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001603294160 1018158185 /nfs/dbraw/zinc/15/81/85/1018158185.db2.gz XSVWWCSXNKKPRP-SECBINFHSA-N -1 0 321.337 -0.619 20 0 DBADRM CC(C)CN1CC(=O)N(CCn2cnc(-c3nnn[n-]3)n2)C1=O ZINC001603295080 1018158729 /nfs/dbraw/zinc/15/87/29/1018158729.db2.gz SHWQYEGQZFEAKE-UHFFFAOYSA-N -1 0 319.329 -0.622 20 0 DBADRM C[C@H](O)c1cn(CC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)nn1 ZINC001603269088 1018159549 /nfs/dbraw/zinc/15/95/49/1018159549.db2.gz SGGVQSHPFPBYJX-QMMMGPOBSA-N -1 0 322.325 -0.014 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001603292528 1018159802 /nfs/dbraw/zinc/15/98/02/1018159802.db2.gz GJIIFAYBCHUIDI-OQPBUACISA-N -1 0 323.309 -0.534 20 0 DBADRM C[C@@H](O)C[C@@H](C)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603266385 1018160065 /nfs/dbraw/zinc/16/00/65/1018160065.db2.gz UDPSIHGIIRZNFB-NXEZZACHSA-N -1 0 321.395 -0.211 20 0 DBADRM C[C@@H](O)CN(C(=O)c1cccn(CC(=O)[O-])c1=O)[C@@H](C)CO ZINC001603268184 1018160356 /nfs/dbraw/zinc/16/03/56/1018160356.db2.gz DZLSRUDDEVBFOO-VHSXEESVSA-N -1 0 312.322 -0.863 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(CCOCC2CC2)C1 ZINC001499702915 1018161235 /nfs/dbraw/zinc/16/12/35/1018161235.db2.gz NNFFBMODOWQARQ-UHFFFAOYSA-N -1 0 323.353 -0.534 20 0 DBADRM COCCN1CC(N(C)C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001499698425 1018161476 /nfs/dbraw/zinc/16/14/76/1018161476.db2.gz RMAZEQCLXPGGCE-UHFFFAOYSA-N -1 0 311.342 -0.996 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC001603312546 1018161705 /nfs/dbraw/zinc/16/17/05/1018161705.db2.gz OZIUHIDDZFHLPW-ZETCQYMHSA-N -1 0 311.338 -0.130 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@](F)(CO)C2)C1 ZINC001603297378 1018162372 /nfs/dbraw/zinc/16/23/72/1018162372.db2.gz SQZUOPWGPUJCTC-OLZOCXBDSA-N -1 0 302.302 -0.758 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2ccc(C(N)=O)o2)C1 ZINC001603297179 1018163330 /nfs/dbraw/zinc/16/33/30/1018163330.db2.gz KZAPCILWCSHTTH-CQSZACIVSA-N -1 0 323.305 -0.682 20 0 DBADRM CC1(C(N)=O)CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001603310650 1018163641 /nfs/dbraw/zinc/16/36/41/1018163641.db2.gz QMSXKHJWCCMZEC-UHFFFAOYSA-N -1 0 305.290 -0.343 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC(O)(COCCO)CC1 ZINC001603321955 1018165702 /nfs/dbraw/zinc/16/57/02/1018165702.db2.gz FERVSCFLXGLTIW-OAHLLOKOSA-N -1 0 315.366 -0.150 20 0 DBADRM CC1(C)CNC(=O)[C@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001603334245 1018166511 /nfs/dbraw/zinc/16/65/11/1018166511.db2.gz SNDVYEMHHTZOJV-SECBINFHSA-N -1 0 319.383 -0.858 20 0 DBADRM CC1(C)CN(C(=O)c2cccn(CC(=O)[O-])c2=O)C[C@@H](CO)O1 ZINC001603334282 1018166871 /nfs/dbraw/zinc/16/68/71/1018166871.db2.gz VPQPNOPFVUNAAZ-JTQLQIEISA-N -1 0 324.333 -0.455 20 0 DBADRM CC1(C)OCC(NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CO1 ZINC001603336368 1018170636 /nfs/dbraw/zinc/17/06/36/1018170636.db2.gz HGLIMRNMXZNDCI-VIFPVBQESA-N -1 0 308.356 -0.479 20 0 DBADRM C[C@@]1(c2cccc(C(=O)OCC(=O)C(=O)[O-])c2)NC(=O)NC1=O ZINC001603347442 1018170680 /nfs/dbraw/zinc/17/06/80/1018170680.db2.gz HIYILWLEFLHPSZ-AWEZNQCLSA-N -1 0 320.257 -0.448 20 0 DBADRM CC1(C)OC[C@@H](CNC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)O1 ZINC001603336886 1018170907 /nfs/dbraw/zinc/17/09/07/1018170907.db2.gz WGXORIANSNMFJW-KXUCPTDWSA-N -1 0 314.338 -0.376 20 0 DBADRM C[C@@]1(CNC(=O)c2cccn(CC(=O)[O-])c2=O)CCC(=O)N1 ZINC001603340708 1018171068 /nfs/dbraw/zinc/17/10/68/1018171068.db2.gz ACYBTSMHLWQJCH-AWEZNQCLSA-N -1 0 307.306 -0.669 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)O1 ZINC001603336936 1018171476 /nfs/dbraw/zinc/17/14/76/1018171476.db2.gz ZGTQWXSYKFPHQG-JTQLQIEISA-N -1 0 314.338 -0.423 20 0 DBADRM C[C@]1(NC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CCOC1 ZINC001603346036 1018172620 /nfs/dbraw/zinc/17/26/20/1018172620.db2.gz CLWFHCGRGPCDNQ-YGRLFVJLSA-N -1 0 313.354 -0.070 20 0 DBADRM CC(C)(C)OC(=O)C(C)(C)C(=O)NCC(=O)NCC(=O)[O-] ZINC001603356666 1018173856 /nfs/dbraw/zinc/17/38/56/1018173856.db2.gz BWDQKNAZWVMMNP-UHFFFAOYSA-N -1 0 302.327 -0.329 20 0 DBADRM CC(C)(C)OC(=O)[C@]1(C(=O)N[C@H](CO)C(=O)[O-])CCCO1 ZINC001603359464 1018174100 /nfs/dbraw/zinc/17/41/00/1018174100.db2.gz YNWYKXPUQCFJHH-AMIZOPFISA-N -1 0 303.311 -0.561 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)C1 ZINC001603355133 1018174220 /nfs/dbraw/zinc/17/42/20/1018174220.db2.gz OJWIXEJIYUEZOF-RSQPEXBXSA-N -1 0 310.350 -0.604 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC3(COC3)C2)C1 ZINC001603354859 1018174471 /nfs/dbraw/zinc/17/44/71/1018174471.db2.gz MHMVFQMJPGDMIC-MNOVXSKESA-N -1 0 310.350 -0.196 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NC[C@H](O)CC(=O)[O-])C1 ZINC001603359160 1018174963 /nfs/dbraw/zinc/17/49/63/1018174963.db2.gz PVQWGKVIBZRRAX-APPZFPTMSA-N -1 0 316.310 -0.575 20 0 DBADRM C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001603355438 1018175253 /nfs/dbraw/zinc/17/52/53/1018175253.db2.gz RTNRLCVNSJHZLK-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)Cn1cncn1 ZINC001603373090 1018176495 /nfs/dbraw/zinc/17/64/95/1018176495.db2.gz MTIXUUZVYQPPHQ-UHFFFAOYSA-N -1 0 312.326 -0.077 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCO1 ZINC001603375889 1018176781 /nfs/dbraw/zinc/17/67/81/1018176781.db2.gz XBRARHRIVHGGMY-UWVGGRQHSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)C[C@H]1C(=O)[O-] ZINC001603415708 1018181527 /nfs/dbraw/zinc/18/15/27/1018181527.db2.gz IKTURQXIWMMKNN-GXSJLCMTSA-N -1 0 321.333 -0.107 20 0 DBADRM C[C@H]1CCCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1C(=O)[O-] ZINC001603407554 1018181546 /nfs/dbraw/zinc/18/15/46/1018181546.db2.gz KHNCJIRDRNMJOI-JQWIXIFHSA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)CCN2CCOC2=O)[C@@H]1C(=O)[O-] ZINC001603414824 1018181885 /nfs/dbraw/zinc/18/18/85/1018181885.db2.gz KCQVZPJHTLQULL-ZJUUUORDSA-N -1 0 320.367 -0.047 20 0 DBADRM C[C@@H]1CC[C@@H](CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)O1 ZINC001603395390 1018182593 /nfs/dbraw/zinc/18/25/93/1018182593.db2.gz WPODYBNTVVEHTL-ZJUUUORDSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@@H]1CCCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1C(=O)[O-] ZINC001603407555 1018182666 /nfs/dbraw/zinc/18/26/66/1018182666.db2.gz KHNCJIRDRNMJOI-PWSUYJOCSA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)[C@@H]1CO ZINC001603415580 1018183111 /nfs/dbraw/zinc/18/31/11/1018183111.db2.gz FYIBGWFFFFMVIO-RKDXNWHRSA-N -1 0 310.310 -0.865 20 0 DBADRM C[C@@H]1CCCN(C(=O)[C@H]2CCN=C3C2=NNN3C)[C@H]1C(=O)[O-] ZINC001603406947 1018183117 /nfs/dbraw/zinc/18/31/17/1018183117.db2.gz DQOMBLZAZTXYBH-WCABBAIRSA-N -1 0 307.354 -0.078 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)[C@@H](C)CO1 ZINC001603439234 1018183805 /nfs/dbraw/zinc/18/38/05/1018183805.db2.gz MGMNJMQPLUZRNS-DTWKUNHWSA-N -1 0 310.310 -0.458 20 0 DBADRM C[C@@H]1CCN(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1 ZINC001603426973 1018184508 /nfs/dbraw/zinc/18/45/08/1018184508.db2.gz OPRJBFIOWDASNR-ZJUUUORDSA-N -1 0 304.368 -0.962 20 0 DBADRM C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001603438893 1018185278 /nfs/dbraw/zinc/18/52/78/1018185278.db2.gz GLVJPHMNRNYUFE-WRWGMCAJSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001603438890 1018185833 /nfs/dbraw/zinc/18/58/33/1018185833.db2.gz GLVJPHMNRNYUFE-DDHJBXDOSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])C[C@H](C2CC2)O1 ZINC001603439523 1018186014 /nfs/dbraw/zinc/18/60/14/1018186014.db2.gz OWPNYKNCFTUVRE-MWLCHTKSSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@H]1CN(C(=O)CN2CCOC[C@@H]2C(=O)[O-])CC(C)(C)O1 ZINC001603442556 1018186035 /nfs/dbraw/zinc/18/60/35/1018186035.db2.gz GMKYVEIGLWDWMA-WDEREUQCSA-N -1 0 300.355 -0.202 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C[C@H](CO)O1 ZINC001603440271 1018186178 /nfs/dbraw/zinc/18/61/78/1018186178.db2.gz VVRYICDGCYOQIA-GZMMTYOYSA-N -1 0 323.305 -0.674 20 0 DBADRM C[C@@H]1CCN(c2nnc([C@@H]3CNC(=O)C3)n2C)C[C@@H]1C(=O)[O-] ZINC001603433016 1018186274 /nfs/dbraw/zinc/18/62/74/1018186274.db2.gz BMXUDHJBOCQLIA-UTLUCORTSA-N -1 0 307.354 -0.034 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001603430140 1018186284 /nfs/dbraw/zinc/18/62/84/1018186284.db2.gz VGXXCDUGUJQSPZ-SGIHWFKDSA-N -1 0 314.338 -0.197 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001603453178 1018187378 /nfs/dbraw/zinc/18/73/78/1018187378.db2.gz VNKCDEJDKODGBB-OQPBUACISA-N -1 0 320.342 -0.786 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@@H]1C(=O)[O-] ZINC001603453827 1018187591 /nfs/dbraw/zinc/18/75/91/1018187591.db2.gz LPHDHEHEVORDBJ-ZJUUUORDSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)C[C@@H](CO)O1 ZINC001603454185 1018188240 /nfs/dbraw/zinc/18/82/40/1018188240.db2.gz QNGIBDXHJUJEGT-UWVGGRQHSA-N -1 0 310.306 -0.845 20 0 DBADRM CC(C)(C)OC(=O)NCCCC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001603460670 1018189077 /nfs/dbraw/zinc/18/90/77/1018189077.db2.gz CFAFFLQWEQRJEN-UHFFFAOYSA-N -1 0 302.327 -0.051 20 0 DBADRM C[C@H]1CN(C(=O)c2cn(CC(=O)[O-])nn2)CC2(CCOCC2)O1 ZINC001603454457 1018190387 /nfs/dbraw/zinc/19/03/87/1018190387.db2.gz RVWDHMMOEKXLQT-JTQLQIEISA-N -1 0 324.337 -0.227 20 0 DBADRM C[C@H]1CN(C(=O)c2cn(CC(=O)[O-])nn2)Cc2cncnc21 ZINC001603452903 1018190427 /nfs/dbraw/zinc/19/04/27/1018190427.db2.gz ATRGKWANYDYJLN-QMMMGPOBSA-N -1 0 302.294 -0.088 20 0 DBADRM CC(C)(C)OC(=O)NCCOCC(=O)NC[C@H](O)C(=O)[O-] ZINC001603461704 1018190567 /nfs/dbraw/zinc/19/05/67/1018190567.db2.gz NAFQEJZCLKPQMH-QMMMGPOBSA-N -1 0 306.315 -0.911 20 0 DBADRM C[C@H](C[C@@H]1CCOC1)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001603467274 1018191365 /nfs/dbraw/zinc/19/13/65/1018191365.db2.gz UOKNLHRLTZBMNL-SFYZADRCSA-N -1 0 321.341 -0.107 20 0 DBADRM C[C@H]1COCCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001603474416 1018192575 /nfs/dbraw/zinc/19/25/75/1018192575.db2.gz VFHNBJPRBKMBKD-SNVBAGLBSA-N -1 0 319.379 -0.239 20 0 DBADRM C[C@@H]1CN(Cn2nnc3c(cnn3C)c2=O)CC[C@H]1C(=O)[O-] ZINC001603463961 1018193753 /nfs/dbraw/zinc/19/37/53/1018193753.db2.gz MWFZUDXWYDIAQV-RKDXNWHRSA-N -1 0 306.326 -0.475 20 0 DBADRM C[C@H](C[C@H]1CCOC1)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001603467108 1018194290 /nfs/dbraw/zinc/19/42/90/1018194290.db2.gz TXAGEQTUWZPFIZ-KXUCPTDWSA-N -1 0 320.357 -0.050 20 0 DBADRM CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)COCC(=O)[O-] ZINC001603513096 1018196389 /nfs/dbraw/zinc/19/63/89/1018196389.db2.gz VVKSCWFYZGFTJO-RKDXNWHRSA-N -1 0 304.368 -0.096 20 0 DBADRM C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)nc1)c1nnn[n-]1 ZINC001603505513 1018196511 /nfs/dbraw/zinc/19/65/11/1018196511.db2.gz LTEZSUPRZNQLMZ-SSDOTTSWSA-N -1 0 314.313 -0.350 20 0 DBADRM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@]1(O)CCOC1 ZINC001603497953 1018196654 /nfs/dbraw/zinc/19/66/54/1018196654.db2.gz UPHCQQZZIKSLNA-XPTSAGLGSA-N -1 0 317.338 -0.171 20 0 DBADRM C[C@H](CNC(=O)C(C)(C)F)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001603521620 1018197217 /nfs/dbraw/zinc/19/72/17/1018197217.db2.gz YGJZVYWQJPNFCO-SSDOTTSWSA-N -1 0 308.321 -0.257 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCC(O)(C(F)F)CC1)C(=O)[O-] ZINC001603548403 1018200018 /nfs/dbraw/zinc/20/00/18/1018200018.db2.gz DFIPERVQWQOMBA-QMMMGPOBSA-N -1 0 322.308 -0.168 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](CO)C1)C(=O)[O-] ZINC001603549622 1018201565 /nfs/dbraw/zinc/20/15/65/1018201565.db2.gz UCACFWSVSXQBPF-GMTAPVOTSA-N -1 0 300.355 -0.310 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[C@H]1O)C(=O)[O-] ZINC001603548876 1018202014 /nfs/dbraw/zinc/20/20/14/1018202014.db2.gz KUQQRQDSVXVODB-GMTAPVOTSA-N -1 0 300.355 -0.167 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)O)C1)C(=O)[O-] ZINC001603549267 1018202384 /nfs/dbraw/zinc/20/23/84/1018202384.db2.gz ONADFGWWYHISFO-GMTAPVOTSA-N -1 0 300.355 -0.167 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)C(=O)[O-] ZINC001603550168 1018202951 /nfs/dbraw/zinc/20/29/51/1018202951.db2.gz ZYOICPMRUAERQG-AYAQEJOPSA-N -1 0 310.350 -0.247 20 0 DBADRM CC(C)(CNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)C(=O)[O-] ZINC001603631227 1018214501 /nfs/dbraw/zinc/21/45/01/1018214501.db2.gz ZVLWUZZCTQFPFS-DTORHVGOSA-N -1 0 304.368 -0.217 20 0 DBADRM CC[C@@H](CNC(=O)NCCS(=O)(=O)N1CCCC1)C(=O)[O-] ZINC001603560748 1018205379 /nfs/dbraw/zinc/20/53/79/1018205379.db2.gz HKGYBNUZLPMNCW-JTQLQIEISA-N -1 0 321.399 -0.178 20 0 DBADRM CC(C)(C)n1nnnc1CN1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001603574212 1018205516 /nfs/dbraw/zinc/20/55/16/1018205516.db2.gz LAYATWOINCHTCH-NXEZZACHSA-N -1 0 322.369 -0.551 20 0 DBADRM CC[C@@H](CNS(=O)(=O)CCCCS(N)(=O)=O)C(=O)[O-] ZINC001603573092 1018206555 /nfs/dbraw/zinc/20/65/55/1018206555.db2.gz GACVQVHBCGJVDK-QMMMGPOBSA-N -1 0 316.401 -0.915 20 0 DBADRM CC(C)(CCNC(=O)NCCN1CCNC(=O)C1)C(=O)[O-] ZINC001603606593 1018210209 /nfs/dbraw/zinc/21/02/09/1018210209.db2.gz HOEJDNWBPKEHDT-UHFFFAOYSA-N -1 0 300.359 -0.782 20 0 DBADRM CC[C@@H](OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(=O)OC ZINC001603586652 1018211228 /nfs/dbraw/zinc/21/12/28/1018211228.db2.gz RMQVRYUYRPKFAD-DTWKUNHWSA-N -1 0 301.295 -0.196 20 0 DBADRM CC(C)(CNC(=O)Cn1cc(S(N)(=O)=O)cn1)CC(=O)[O-] ZINC001603627055 1018212861 /nfs/dbraw/zinc/21/28/61/1018212861.db2.gz AOTLKAWIKZJKQH-UHFFFAOYSA-N -1 0 318.355 -0.852 20 0 DBADRM CCC[C@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)S(N)(=O)=O ZINC001603627485 1018213819 /nfs/dbraw/zinc/21/38/19/1018213819.db2.gz BQRFMOPPLYNSTJ-KBVBSXBZSA-N -1 0 320.367 -0.997 20 0 DBADRM CCC[C@@H](O)[C@@H](CO)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001603633739 1018213906 /nfs/dbraw/zinc/21/39/06/1018213906.db2.gz LATPKXUSHUNBPB-GHMZBOCLSA-N -1 0 318.370 -0.311 20 0 DBADRM CCC[C@H](O)[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001603633789 1018214030 /nfs/dbraw/zinc/21/40/30/1018214030.db2.gz NTYGHRWRXRCTPS-NEPJUHHUSA-N -1 0 324.333 -0.039 20 0 DBADRM CCC[C@@H](C)C(=O)NCCNC(=O)c1cn(CC(=O)[O-])nn1 ZINC001603633085 1018214266 /nfs/dbraw/zinc/21/42/66/1018214266.db2.gz VMQMUKWQNRPIMN-SECBINFHSA-N -1 0 311.342 -0.355 20 0 DBADRM CCC[C@@H](O)[C@H](CO)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603633824 1018214702 /nfs/dbraw/zinc/21/47/02/1018214702.db2.gz PDKNGMFFXMTVLO-WDEREUQCSA-N -1 0 312.322 -0.815 20 0 DBADRM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)c1csnn1 ZINC001603679696 1018219350 /nfs/dbraw/zinc/21/93/50/1018219350.db2.gz WSYRZGPATUPNLV-SCSAIBSYSA-N -1 0 321.326 -0.309 20 0 DBADRM CC(C)(NC(=O)CSCC(N)=O)c1cc(C(=O)[O-])on1 ZINC001603673186 1018219697 /nfs/dbraw/zinc/21/96/97/1018219697.db2.gz JEJKNFRLRBMCCY-UHFFFAOYSA-N -1 0 301.324 -0.057 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)[C@H]1CCOC1 ZINC001603676917 1018219848 /nfs/dbraw/zinc/21/98/48/1018219848.db2.gz NLXMYKCYPHBCRB-BDAKNGLRSA-N -1 0 324.366 -0.035 20 0 DBADRM CC(C)(NC(=O)c1nc2n(n1)CCCN2)c1nocc1C(=O)[O-] ZINC001603679764 1018220154 /nfs/dbraw/zinc/22/01/54/1018220154.db2.gz FTNQFBOCGNRFNE-UHFFFAOYSA-N -1 0 320.309 -0.298 20 0 DBADRM CC(C)(NC(=O)[C@@H]1CCS(=O)(=O)N1)c1nocc1C(=O)[O-] ZINC001603671328 1018220765 /nfs/dbraw/zinc/22/07/65/1018220765.db2.gz DFEDUSLVWSRYJL-ZETCQYMHSA-N -1 0 317.323 -0.584 20 0 DBADRM CC(C)(NS(=O)(=O)N1CCOCC1)c1nocc1C(=O)[O-] ZINC001603685145 1018220857 /nfs/dbraw/zinc/22/08/57/1018220857.db2.gz AGJNXNHQHOOTTQ-UHFFFAOYSA-N -1 0 319.339 -0.226 20 0 DBADRM CC(C)(O)[C@@H](O)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)[O-] ZINC001603687846 1018221359 /nfs/dbraw/zinc/22/13/59/1018221359.db2.gz JIGKELRBZWDAIB-RYUDHWBXSA-N -1 0 309.318 -0.138 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NCc1nc(C(=O)[O-])co1 ZINC001603685632 1018222706 /nfs/dbraw/zinc/22/27/06/1018222706.db2.gz JLXFGNBRGQHEPL-UHFFFAOYSA-N -1 0 305.312 -0.683 20 0 DBADRM CCC[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(=O)OC ZINC001603691985 1018222978 /nfs/dbraw/zinc/22/29/78/1018222978.db2.gz BFLFZZGKUALFDU-BDAKNGLRSA-N -1 0 308.356 -0.289 20 0 DBADRM CC(C)[C@H](CO)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001603722971 1018233780 /nfs/dbraw/zinc/23/37/80/1018233780.db2.gz ORBSBUMJJXAOKV-JTQLQIEISA-N -1 0 303.359 -0.469 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001603699326 1018226679 /nfs/dbraw/zinc/22/66/79/1018226679.db2.gz HHLYXLLOKJDJCB-VIFPVBQESA-N -1 0 306.326 -0.402 20 0 DBADRM CC(C)=C(F)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001603697871 1018227263 /nfs/dbraw/zinc/22/72/63/1018227263.db2.gz RSFGXIAQJWUXIP-RKDXNWHRSA-N -1 0 314.313 -0.340 20 0 DBADRM CC(C)(c1nnc(C(=O)N2CC[C@@H]2C(=O)[O-])o1)S(C)(=O)=O ZINC001603698077 1018228230 /nfs/dbraw/zinc/22/82/30/1018228230.db2.gz WZPOIDATTHVQNV-ZCFIWIBFSA-N -1 0 317.323 -0.352 20 0 DBADRM CCN(C(=O)Nc1nc(CS(C)(=O)=O)no1)[C@@H](C)C(=O)[O-] ZINC001603715028 1018229718 /nfs/dbraw/zinc/22/97/18/1018229718.db2.gz FNCDQJYDTHGGOL-LURJTMIESA-N -1 0 320.327 -0.059 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001603706553 1018229802 /nfs/dbraw/zinc/22/98/02/1018229802.db2.gz YSDNYSGOKBTEGP-NSHDSACASA-N -1 0 300.355 -0.167 20 0 DBADRM CCN(C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)[C@@H](C)CO ZINC001603706182 1018230591 /nfs/dbraw/zinc/23/05/91/1018230591.db2.gz VZGGAQJKYQZEDG-VIFPVBQESA-N -1 0 307.368 -0.505 20 0 DBADRM CC(C)[C@@H](C(=O)N[C@H](CCF)C(=O)[O-])N1CCCS1(=O)=O ZINC001603708973 1018231355 /nfs/dbraw/zinc/23/13/55/1018231355.db2.gz FBSLTWJXGUMNGB-ZJUUUORDSA-N -1 0 324.374 -0.025 20 0 DBADRM CCN(C[C@H]1CCOC1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001603736424 1018231993 /nfs/dbraw/zinc/23/19/93/1018231993.db2.gz FRUROAKXQOMCPC-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@H](c1nnc(-c2cnn(C)c2)o1)n1cnc(-c2nnn[n-]2)n1 ZINC001603736148 1018232403 /nfs/dbraw/zinc/23/24/03/1018232403.db2.gz FTASISIITRURJF-ZCFIWIBFSA-N -1 0 313.285 -0.149 20 0 DBADRM CCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC001603724990 1018232619 /nfs/dbraw/zinc/23/26/19/1018232619.db2.gz FRSQPFWPSSVFGY-LURJTMIESA-N -1 0 305.312 -0.320 20 0 DBADRM CCN(C[C@@H]1CCOC1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001603736427 1018232743 /nfs/dbraw/zinc/23/27/43/1018232743.db2.gz FRUROAKXQOMCPC-WDEREUQCSA-N -1 0 314.338 -0.817 20 0 DBADRM CCN(CC)C(=O)[C@@H]1CSCN1C(=O)COCC(=O)[O-] ZINC001603722479 1018233239 /nfs/dbraw/zinc/23/32/39/1018233239.db2.gz KTEYBLRKMFZWGZ-VIFPVBQESA-N -1 0 304.368 -0.143 20 0 DBADRM CC(C)[C@H](CCO)NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001603723975 1018233382 /nfs/dbraw/zinc/23/33/82/1018233382.db2.gz NBHUFHYRWDXCOI-VIFPVBQESA-N -1 0 312.326 -0.420 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001603722281 1018233656 /nfs/dbraw/zinc/23/36/56/1018233656.db2.gz COXGBZZKXZVYKQ-VIFPVBQESA-N -1 0 301.343 -0.850 20 0 DBADRM CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603736710 1018233803 /nfs/dbraw/zinc/23/38/03/1018233803.db2.gz NMSFUTKMBMGQAF-JTQLQIEISA-N -1 0 324.337 -0.066 20 0 DBADRM CC(C)C1CN(C(=O)C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001603757277 1018234587 /nfs/dbraw/zinc/23/45/87/1018234587.db2.gz QUOHIGCYRMPYDQ-OAHLLOKOSA-N -1 0 323.349 -0.067 20 0 DBADRM C[C@]1(C(N)=O)CCN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001603755512 1018235116 /nfs/dbraw/zinc/23/51/16/1018235116.db2.gz QPUIULMRIBGLOZ-AWEZNQCLSA-N -1 0 316.321 -0.090 20 0 DBADRM CCN1CC[C@H]1CNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001603760441 1018235502 /nfs/dbraw/zinc/23/55/02/1018235502.db2.gz SSSQLWWNWWEDBZ-NEPJUHHUSA-N -1 0 311.382 -0.090 20 0 DBADRM CC(C)[C@H]1CN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)CCS1 ZINC001603756472 1018235779 /nfs/dbraw/zinc/23/57/79/1018235779.db2.gz HORHNUIZHGDXCA-SECBINFHSA-N -1 0 316.379 -0.756 20 0 DBADRM CC(C)CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001603760938 1018236290 /nfs/dbraw/zinc/23/62/90/1018236290.db2.gz MKDYJFSPTIPHEZ-WDEREUQCSA-N -1 0 300.355 -0.025 20 0 DBADRM CCN1CCC[C@@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1=O ZINC001603760273 1018237050 /nfs/dbraw/zinc/23/70/50/1018237050.db2.gz JJLJWVULYMDPMR-VHSXEESVSA-N -1 0 313.354 -0.707 20 0 DBADRM CCN1CC[C@H]1CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001603760472 1018237573 /nfs/dbraw/zinc/23/75/73/1018237573.db2.gz URJYBIPWAKZALA-JTQLQIEISA-N -1 0 318.395 -0.524 20 0 DBADRM CCN1CCO[C@@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])C1 ZINC001603767918 1018239814 /nfs/dbraw/zinc/23/98/14/1018239814.db2.gz HTZWFGPDHOBHES-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)c2cc(C(=O)[O-])nn2C)CC1 ZINC001603763751 1018239902 /nfs/dbraw/zinc/23/99/02/1018239902.db2.gz PJRQIPFWEBTGII-UHFFFAOYSA-N -1 0 323.353 -0.988 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCCC(=O)[O-] ZINC001603780442 1018240010 /nfs/dbraw/zinc/24/00/10/1018240010.db2.gz POXJZUZTYSWRKP-DTWKUNHWSA-N -1 0 302.327 -0.186 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)[C@@H]1COC(=O)N1)C(=O)[O-] ZINC001603776286 1018240439 /nfs/dbraw/zinc/24/04/39/1018240439.db2.gz GRHMFTPKXDPYNO-SFYZADRCSA-N -1 0 302.283 -0.747 20 0 DBADRM CCOC(=O)[C@@]1(C)CN([C@H]2CCN(CC(=O)[O-])C2=O)CCO1 ZINC001603786828 1018241136 /nfs/dbraw/zinc/24/11/36/1018241136.db2.gz LENNZENPOQQOBG-IINYFYTJSA-N -1 0 314.338 -0.674 20 0 DBADRM CCOC(=O)[C@@H]1CSCCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001603791851 1018242107 /nfs/dbraw/zinc/24/21/07/1018242107.db2.gz AGEDDYZXQGUWEZ-IUCAKERBSA-N -1 0 316.335 -0.277 20 0 DBADRM CC(C)CN(C)C(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001603801478 1018242298 /nfs/dbraw/zinc/24/22/98/1018242298.db2.gz HYYSZOSGFUDVKU-AWEZNQCLSA-N -1 0 311.338 -0.067 20 0 DBADRM CCOC(=O)C1(NCCS(=O)(=O)CC(=O)[O-])CCCC1 ZINC001603787172 1018243062 /nfs/dbraw/zinc/24/30/62/1018243062.db2.gz PGBOCPGUTHYRSH-UHFFFAOYSA-N -1 0 307.368 -0.049 20 0 DBADRM CC(C)COC[C@H](O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001603822974 1018244179 /nfs/dbraw/zinc/24/41/79/1018244179.db2.gz WUNQNHDYOATCNZ-VXGBXAGGSA-N -1 0 323.411 -0.406 20 0 DBADRM CCOC(Cn1cc(C(=O)N[C@@H](C)C(=O)[O-])nn1)OCC ZINC001603824197 1018244679 /nfs/dbraw/zinc/24/46/79/1018244679.db2.gz FFODMQIDKGTAGJ-QMMMGPOBSA-N -1 0 300.315 -0.120 20 0 DBADRM C[C@]1(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO[C@@H]1C1CC1 ZINC001603813356 1018246715 /nfs/dbraw/zinc/24/67/15/1018246715.db2.gz HRJSCQAEHHEERJ-MFKMUULPSA-N -1 0 318.341 -0.468 20 0 DBADRM C[C@]1(CO)CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603808756 1018247664 /nfs/dbraw/zinc/24/76/64/1018247664.db2.gz UJCBMDGXJBLGRQ-LLVKDONJSA-N -1 0 313.339 -0.005 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001603830982 1018248912 /nfs/dbraw/zinc/24/89/12/1018248912.db2.gz RZCXRDJHYKZHDU-MRVPVSSYSA-N -1 0 316.321 -0.125 20 0 DBADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)N(C)C ZINC001603832006 1018248986 /nfs/dbraw/zinc/24/89/86/1018248986.db2.gz RTYPLQCOXAGEIA-VIFPVBQESA-N -1 0 309.388 -0.660 20 0 DBADRM CC1=NO[C@H](CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001603828372 1018250585 /nfs/dbraw/zinc/25/05/85/1018250585.db2.gz VBRIOKOGJAIEGO-LURJTMIESA-N -1 0 306.286 -0.757 20 0 DBADRM CCOCCOC[C@@H](O)CNC(=O)C1(C(=O)[O-])CC=CC1 ZINC001603842504 1018252577 /nfs/dbraw/zinc/25/25/77/1018252577.db2.gz VHOKQHDULJOTHN-NSHDSACASA-N -1 0 301.339 -0.062 20 0 DBADRM CC(C)Cn1cc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])cn1 ZINC001603859700 1018254176 /nfs/dbraw/zinc/25/41/76/1018254176.db2.gz LBBHGMVITBYKSY-SNVBAGLBSA-N -1 0 312.326 -0.571 20 0 DBADRM CC(C)C[C@H](NC(=O)CNc1cc(=O)n(C)c(=O)[nH]1)C(=O)[O-] ZINC001603841781 1018254346 /nfs/dbraw/zinc/25/43/46/1018254346.db2.gz KQWXJZPGBGWFBV-QMMMGPOBSA-N -1 0 312.326 -0.487 20 0 DBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1c1ccnc(-c2nnn[n-]2)n1 ZINC001603856654 1018255494 /nfs/dbraw/zinc/25/54/94/1018255494.db2.gz VENKMKXTAMXLNR-GHMZBOCLSA-N -1 0 316.369 -0.044 20 0 DBADRM CC(C)C[C@H]1COCCN1C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001603848748 1018255852 /nfs/dbraw/zinc/25/58/52/1018255852.db2.gz CTTZOPRSESNDBC-UWVGGRQHSA-N -1 0 304.318 -0.201 20 0 DBADRM CCON(C)C(=O)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001603843637 1018255875 /nfs/dbraw/zinc/25/58/75/1018255875.db2.gz WSJUIJNRDGPRSH-UHFFFAOYSA-N -1 0 323.305 -0.151 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001603894582 1018256920 /nfs/dbraw/zinc/25/69/20/1018256920.db2.gz RHZPHEQTMIFWRU-WPRPVWTQSA-N -1 0 306.384 -0.069 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001603884825 1018257078 /nfs/dbraw/zinc/25/70/78/1018257078.db2.gz AVRWKZZJBJFNLW-UHFFFAOYSA-N -1 0 301.324 -0.195 20 0 DBADRM C[C@H]1CC[C@H](C)N(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001603873839 1018257829 /nfs/dbraw/zinc/25/78/29/1018257829.db2.gz CLNROMVQMSZHLS-YUMQZZPRSA-N -1 0 305.342 -0.122 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001603894579 1018257927 /nfs/dbraw/zinc/25/79/27/1018257927.db2.gz RHZPHEQTMIFWRU-WCBMZHEXSA-N -1 0 306.384 -0.069 20 0 DBADRM CCOc1cnc(C(=O)OCc2cn(CC(=O)[O-])nn2)cn1 ZINC001603885425 1018258172 /nfs/dbraw/zinc/25/81/72/1018258172.db2.gz QMIKVSLZGQWFOL-UHFFFAOYSA-N -1 0 307.266 -0.092 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC001603875234 1018258747 /nfs/dbraw/zinc/25/87/47/1018258747.db2.gz UAVNUHDDRVDJEK-UHFFFAOYSA-N -1 0 301.324 -0.185 20 0 DBADRM CC(C)NC(=O)[C@H](C)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001603897048 1018259272 /nfs/dbraw/zinc/25/92/72/1018259272.db2.gz XUBVSIKIDJYIFB-CIUDSAMLSA-N -1 0 316.358 -0.824 20 0 DBADRM CC(C)NC(=O)CN1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001603898794 1018259334 /nfs/dbraw/zinc/25/93/34/1018259334.db2.gz QOHBPQCKADTLSY-UHFFFAOYSA-N -1 0 307.354 -0.179 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)c1csc(C(=O)[O-])n1 ZINC001603904857 1018260852 /nfs/dbraw/zinc/26/08/52/1018260852.db2.gz ITFUFACBINDZBS-UHFFFAOYSA-N -1 0 321.380 -0.101 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)Cc2ncc[nH]2)c1[O-] ZINC001500178615 1018261950 /nfs/dbraw/zinc/26/19/50/1018261950.db2.gz VUBABQAVVKCNCV-QMMMGPOBSA-N -1 0 320.353 -0.128 20 0 DBADRM CC[C@H](C)[C@H](NS(=O)(=O)c1cc(C(=O)OC)[nH]n1)C(=O)[O-] ZINC001603938099 1018263716 /nfs/dbraw/zinc/26/37/16/1018263716.db2.gz DBZFQSDLLCEBAT-RCOVLWMOSA-N -1 0 319.339 -0.026 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1cncc(C(=O)OC)c1)C(=O)[O-] ZINC001603938044 1018266053 /nfs/dbraw/zinc/26/60/53/1018266053.db2.gz AOGKWUKWIBWZDN-VIFPVBQESA-N -1 0 309.278 -0.214 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCN([S@](C)(=N)=O)CC1)C(=O)[O-] ZINC001603972154 1018274813 /nfs/dbraw/zinc/27/48/13/1018274813.db2.gz HXMZZSFKDLUWBA-MQJDWESPSA-N -1 0 320.415 -0.579 20 0 DBADRM CC(C)[C@H](NC(=O)CN1C(=O)c2nccnc2C1=O)C(=O)[O-] ZINC001603972695 1018275989 /nfs/dbraw/zinc/27/59/89/1018275989.db2.gz MCJUMKOFCAAKNF-QMMMGPOBSA-N -1 0 306.278 -0.702 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@H]1CCN(C)C1=O)C(=O)[O-] ZINC001603973466 1018276199 /nfs/dbraw/zinc/27/61/99/1018276199.db2.gz JULTUARTTSXLSM-WPRPVWTQSA-N -1 0 300.311 -0.767 20 0 DBADRM CC(C)c1nnnn1CC(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001604026921 1018278108 /nfs/dbraw/zinc/27/81/08/1018278108.db2.gz QPVXLDWCGMDUGO-ZDUSSCGKSA-N -1 0 311.342 -0.063 20 0 DBADRM CCn1c(=O)cc(Cl)n(CCS(=O)(=O)CC(=O)[O-])c1=O ZINC001604002603 1018279077 /nfs/dbraw/zinc/27/90/77/1018279077.db2.gz ATFIRIUZJBNUIW-UHFFFAOYSA-N -1 0 324.742 -0.817 20 0 DBADRM CCn1nnnc1N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001604024974 1018279586 /nfs/dbraw/zinc/27/95/86/1018279586.db2.gz ZXOSGRYQXXWLMU-VIFPVBQESA-N -1 0 308.342 -0.405 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)C(N)=O ZINC001603983825 1018279613 /nfs/dbraw/zinc/27/96/13/1018279613.db2.gz XRNZFTFYIRHHLJ-VIFPVBQESA-N -1 0 301.324 -0.432 20 0 DBADRM CC[C@@H](C)Cn1c(=O)c(-c2nnn[n-]2)c(C)n(CCO)c1=O ZINC001604003544 1018280923 /nfs/dbraw/zinc/28/09/23/1018280923.db2.gz DYRZBBYVLPFRGA-MRVPVSSYSA-N -1 0 308.342 -0.463 20 0 DBADRM CN(C)C(=O)C1CCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC001604041491 1018282766 /nfs/dbraw/zinc/28/27/66/1018282766.db2.gz QEUTZUAPJMAQQQ-UHFFFAOYSA-N -1 0 301.343 -0.403 20 0 DBADRM CC(C)n1cnnc1CN(C)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001604042879 1018282916 /nfs/dbraw/zinc/28/29/16/1018282916.db2.gz JPTXZTWEUZSFAQ-UHFFFAOYSA-N -1 0 307.314 -0.193 20 0 DBADRM CC(C)n1ncc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1N ZINC001604043066 1018283563 /nfs/dbraw/zinc/28/35/63/1018283563.db2.gz QSJGKPIMMMQMJV-SECBINFHSA-N -1 0 309.326 -0.586 20 0 DBADRM CN(C)C(=O)CCCOC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001604041504 1018284928 /nfs/dbraw/zinc/28/49/28/1018284928.db2.gz QNXUTJFTZIHRHP-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM CC(C)n1[nH]cnc1=NC(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001604048002 1018285801 /nfs/dbraw/zinc/28/58/01/1018285801.db2.gz ITDDRNPHNPPWRP-JTQLQIEISA-N -1 0 323.353 -0.164 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC001604056733 1018285871 /nfs/dbraw/zinc/28/58/71/1018285871.db2.gz WEBVXAAVQVZEQB-FACRAVRUSA-N -1 0 304.368 -0.054 20 0 DBADRM C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001604050149 1018288740 /nfs/dbraw/zinc/28/87/40/1018288740.db2.gz NNMCHCNHRHLILH-WCBMZHEXSA-N -1 0 324.337 -0.256 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N(CC(=O)[O-])CC1CC1 ZINC001604083770 1018289138 /nfs/dbraw/zinc/28/91/38/1018289138.db2.gz RMBPGSXDUJMFFH-GOSISDBHSA-N -1 0 313.401 -0.398 20 0 DBADRM C[C@@](CC(=O)[O-])(NC(=O)C[C@H]1CC(=O)NC1=O)c1cccnc1 ZINC001604077745 1018289186 /nfs/dbraw/zinc/28/91/86/1018289186.db2.gz JLKFVKWYXDBSSM-PSLIRLAXSA-N -1 0 319.317 -0.060 20 0 DBADRM CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)C(=O)[O-])c1 ZINC001604083098 1018289682 /nfs/dbraw/zinc/28/96/82/1018289682.db2.gz BBDUFKBNFWHKFB-UHFFFAOYSA-N -1 0 315.303 -0.253 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001604075463 1018289904 /nfs/dbraw/zinc/28/99/04/1018289904.db2.gz IMJPESKHVPGJHM-ONEGZZNKSA-N -1 0 316.335 -0.001 20 0 DBADRM C[C@H](CC(=O)NCC1(CC(=O)[O-])CCOCC1)NC(N)=O ZINC001604068979 1018290278 /nfs/dbraw/zinc/29/02/78/1018290278.db2.gz XPAPVYAFHGOBSI-SECBINFHSA-N -1 0 301.343 -0.179 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001604083126 1018291036 /nfs/dbraw/zinc/29/10/36/1018291036.db2.gz CMDLDEHKDUNQKK-PUERIAAYSA-N -1 0 313.401 -0.352 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001604094812 1018293831 /nfs/dbraw/zinc/29/38/31/1018293831.db2.gz XERJGTIENSTWGX-NRUUGDAUSA-N -1 0 319.379 -0.050 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(NC(=O)COCC(=O)[O-])nc1 ZINC001604083797 1018293850 /nfs/dbraw/zinc/29/38/50/1018293850.db2.gz SFRYPENSVITVIW-UHFFFAOYSA-N -1 0 317.323 -0.628 20 0 DBADRM CN([C@H]1CC(C)(C)OC1=O)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001604092474 1018294238 /nfs/dbraw/zinc/29/42/38/1018294238.db2.gz GKOAVRNOIQXAJJ-IUCAKERBSA-N -1 0 320.367 -0.194 20 0 DBADRM CN(C)c1ccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cn1 ZINC001604091288 1018294262 /nfs/dbraw/zinc/29/42/62/1018294262.db2.gz UXQFSHVNEYKUAL-LLVKDONJSA-N -1 0 313.379 -0.169 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC001604091337 1018294369 /nfs/dbraw/zinc/29/43/69/1018294369.db2.gz YMZZUXDYUIIWFD-GFCCVEGCSA-N -1 0 302.352 -0.134 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001604103552 1018294686 /nfs/dbraw/zinc/29/46/86/1018294686.db2.gz CKCFWBRCWVHBQR-QWRGUYRKSA-N -1 0 312.366 -0.023 20 0 DBADRM CC[C@]1(O)CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001604093868 1018295119 /nfs/dbraw/zinc/29/51/19/1018295119.db2.gz QVOUATOKRMZXMC-LBPRGKRZSA-N -1 0 324.366 -0.203 20 0 DBADRM CC[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@H]1C ZINC001604105836 1018295689 /nfs/dbraw/zinc/29/56/89/1018295689.db2.gz NDHAKRHMKQZRGT-JGVFFNPUSA-N -1 0 305.342 -0.122 20 0 DBADRM CN(C)c1noc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC001604093010 1018296224 /nfs/dbraw/zinc/29/62/24/1018296224.db2.gz LGTJFYHVXPVKBB-ZETCQYMHSA-N -1 0 319.343 -0.981 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@H](CC)O1 ZINC001604110427 1018298165 /nfs/dbraw/zinc/29/81/65/1018298165.db2.gz IUCNULMVKNRKSD-AOOOYVTPSA-N -1 0 320.357 -0.126 20 0 DBADRM CN(CC1(O)CCOCC1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001604124190 1018300303 /nfs/dbraw/zinc/30/03/03/1018300303.db2.gz AKSKDSQLZJORIR-JTQLQIEISA-N -1 0 322.383 -0.747 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001604124246 1018301052 /nfs/dbraw/zinc/30/10/52/1018301052.db2.gz FFBFYURNYXFWSQ-VXGBXAGGSA-N -1 0 312.366 -0.167 20 0 DBADRM CCC[C@@H](C)[C@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604134475 1018302058 /nfs/dbraw/zinc/30/20/58/1018302058.db2.gz HAHVGUTUCYWPPQ-SFYZADRCSA-N -1 0 323.357 -0.125 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCc1cccc(C(N)=O)c1 ZINC001604134170 1018302133 /nfs/dbraw/zinc/30/21/33/1018302133.db2.gz SXDLNJSSRFWQGS-UHFFFAOYSA-N -1 0 307.306 -0.665 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@H](c2nccn2C)C1 ZINC001604133809 1018302476 /nfs/dbraw/zinc/30/24/76/1018302476.db2.gz JPWHLCHCHAJKPJ-SNVBAGLBSA-N -1 0 308.338 -0.331 20 0 DBADRM CCC[C@](C)(O)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604127657 1018302931 /nfs/dbraw/zinc/30/29/31/1018302931.db2.gz DAQAQRNKMYVCKD-LBPRGKRZSA-N -1 0 309.330 -0.371 20 0 DBADRM C[C@]1(NC(=O)C[C@H]2CCC(=O)N2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500269475 1018303253 /nfs/dbraw/zinc/30/32/53/1018303253.db2.gz RUFDUKSJPOUQCK-OTYXRUKQSA-N -1 0 322.369 -0.740 20 0 DBADRM CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001604125040 1018303843 /nfs/dbraw/zinc/30/38/43/1018303843.db2.gz XQOZGGRVFTVUGE-RNFRBKRXSA-N -1 0 312.244 -0.699 20 0 DBADRM C[C@H](CCCNc1ncc(C(=O)[O-])cn1)NC(=O)CC(N)=O ZINC001604132888 1018304522 /nfs/dbraw/zinc/30/45/22/1018304522.db2.gz RJDYSYKOVZEXPU-MRVPVSSYSA-N -1 0 309.326 -0.253 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NCc1ccccc1S(N)(=O)=O ZINC001604143350 1018305497 /nfs/dbraw/zinc/30/54/97/1018305497.db2.gz BZGUAIHATVETGN-UHFFFAOYSA-N -1 0 315.351 -0.050 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001604155450 1018306646 /nfs/dbraw/zinc/30/66/46/1018306646.db2.gz PYDDPSIAJUHLPV-UHFFFAOYSA-N -1 0 307.372 -0.616 20 0 DBADRM C[C@H](CCNC(=O)c1cnnn1C)Nc1ccnc(C(=O)[O-])n1 ZINC001604141471 1018306774 /nfs/dbraw/zinc/30/67/74/1018306774.db2.gz IGRJDTNUDLNKQJ-MRVPVSSYSA-N -1 0 319.325 -0.654 20 0 DBADRM C[C@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)C(C)(C)C(N)=O ZINC001604158970 1018308632 /nfs/dbraw/zinc/30/86/32/1018308632.db2.gz GYBAXWMBNQHCDA-MRVPVSSYSA-N -1 0 323.353 -0.373 20 0 DBADRM C[C@H](CNC(=O)Cc1nc[nH]n1)CNc1ncc(C(=O)[O-])cn1 ZINC001604174415 1018311355 /nfs/dbraw/zinc/31/13/55/1018311355.db2.gz MYCPFNZKEHRSPP-MRVPVSSYSA-N -1 0 319.325 -0.300 20 0 DBADRM C[C@H](CNC(=O)N1CC(O)(C(=O)[O-])C1)CC1(C)OCCO1 ZINC001604173749 1018311421 /nfs/dbraw/zinc/31/14/21/1018311421.db2.gz DSLBJXQXANTJGL-VIFPVBQESA-N -1 0 302.327 -0.384 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1COCCO1)CNc1ncc(C(=O)[O-])cn1 ZINC001604172756 1018312554 /nfs/dbraw/zinc/31/25/54/1018312554.db2.gz CXZYJKDTZXBUSP-KOLCDFICSA-N -1 0 324.337 -0.246 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001604173005 1018313074 /nfs/dbraw/zinc/31/30/74/1018313074.db2.gz KDUBSQFSCDAMHO-VHSXEESVSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@H](CNC(=O)Cc1c[nH]cn1)Nc1ccnc(C(=O)[O-])n1 ZINC001604174632 1018313171 /nfs/dbraw/zinc/31/31/71/1018313171.db2.gz SDJZJCFKDXARLG-MRVPVSSYSA-N -1 0 304.310 -0.521 20 0 DBADRM C[C@H](CNS(=O)(=O)CC1(C(=O)[O-])CC1)CN1CCOCC1 ZINC001604186198 1018314331 /nfs/dbraw/zinc/31/43/31/1018314331.db2.gz RYTJVBGCXDOZPF-LLVKDONJSA-N -1 0 320.411 -0.261 20 0 DBADRM CN(Cc1cccc(C(N)=O)c1)C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001604188702 1018314557 /nfs/dbraw/zinc/31/45/57/1018314557.db2.gz LKNJSVLTNLVVFX-NSHDSACASA-N -1 0 305.290 -0.027 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1ccnc(C(=O)[O-])n1 ZINC001604181025 1018314923 /nfs/dbraw/zinc/31/49/23/1018314923.db2.gz NFSUSZASAWIBQX-IUCAKERBSA-N -1 0 321.337 -0.961 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001500308009 1018315093 /nfs/dbraw/zinc/31/50/93/1018315093.db2.gz JOISOBGYMHTJCT-NKWVEPMBSA-N -1 0 315.305 -0.487 20 0 DBADRM C[C@@H](CNC(=O)c1ccncn1)Nc1ccnc(C(=O)[O-])n1 ZINC001604183089 1018314940 /nfs/dbraw/zinc/31/49/40/1018314940.db2.gz BZQRQTJJKFJAKA-QMMMGPOBSA-N -1 0 302.294 -0.383 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1cncn1C ZINC001604189483 1018315157 /nfs/dbraw/zinc/31/51/57/1018315157.db2.gz ANIAVMHYSSRZCT-VIFPVBQESA-N -1 0 318.337 -0.097 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(=O)[O-] ZINC001604209448 1018323374 /nfs/dbraw/zinc/32/33/74/1018323374.db2.gz HCMKPMSWMONYTP-HLTSFMKQSA-N -1 0 306.340 -0.533 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001604180890 1018315528 /nfs/dbraw/zinc/31/55/28/1018315528.db2.gz YQGXQSFZCANYHB-DTWKUNHWSA-N -1 0 308.356 -0.997 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001604180757 1018315706 /nfs/dbraw/zinc/31/57/06/1018315706.db2.gz SMNLYSNGJBDIJW-IHWYPQMZSA-N -1 0 302.308 -0.262 20 0 DBADRM CCCN(C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C(C)C ZINC001604195038 1018316316 /nfs/dbraw/zinc/31/63/16/1018316316.db2.gz HTYFEHMMSRPAKR-UHFFFAOYSA-N -1 0 321.341 -0.224 20 0 DBADRM CN(Cc1ncc(Cl)n1C)C(=O)C(=O)NCCC(=O)[O-] ZINC001604195077 1018316414 /nfs/dbraw/zinc/31/64/14/1018316414.db2.gz IMXZDABVEKYTCU-UHFFFAOYSA-N -1 0 302.718 -0.377 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)O[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001604197099 1018316515 /nfs/dbraw/zinc/31/65/15/1018316515.db2.gz XBMCGHWGMDJGAB-ZJUUUORDSA-N -1 0 312.322 -0.384 20 0 DBADRM C[C@](CO)(NC(=O)c1cccc(Cn2cncn2)c1)C(=O)[O-] ZINC001604193450 1018316754 /nfs/dbraw/zinc/31/67/54/1018316754.db2.gz PEFCNCSLZHQHSH-CQSZACIVSA-N -1 0 304.306 -0.108 20 0 DBADRM C[C@@](CO)(NC(=O)c1cc(N2CCOCC2)ccn1)C(=O)[O-] ZINC001604193204 1018316924 /nfs/dbraw/zinc/31/69/24/1018316924.db2.gz GXVSSAGCNPXDIJ-AWEZNQCLSA-N -1 0 309.322 -0.516 20 0 DBADRM C[C@@](CO)(NC(=O)c1ccc(Cn2cncn2)cc1)C(=O)[O-] ZINC001604193483 1018318417 /nfs/dbraw/zinc/31/84/17/1018318417.db2.gz QMXYGUKVBZRIML-AWEZNQCLSA-N -1 0 304.306 -0.108 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001604202127 1018318982 /nfs/dbraw/zinc/31/89/82/1018318982.db2.gz DLGDFIDQTRRDDA-DDHJBXDOSA-N -1 0 316.354 -0.031 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001604202731 1018319476 /nfs/dbraw/zinc/31/94/76/1018319476.db2.gz HNCSDMIWOBQBKD-DDHJBXDOSA-N -1 0 316.354 -0.343 20 0 DBADRM CN1C[C@H](CCn2nnnc2N2CC[C@@](C)(C(=O)[O-])C2)CC1=O ZINC001604200844 1018319603 /nfs/dbraw/zinc/31/96/03/1018319603.db2.gz JGSYGNBHYQAJGS-QMTHXVAHSA-N -1 0 322.369 -0.158 20 0 DBADRM C[C@](CO)(NS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-] ZINC001604198324 1018319684 /nfs/dbraw/zinc/31/96/84/1018319684.db2.gz FNBQNDDXFRAJRX-SSDOTTSWSA-N -1 0 309.262 -0.680 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[C@@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC001604206028 1018323201 /nfs/dbraw/zinc/32/32/01/1018323201.db2.gz CCQPBHZVHDSCFG-DTWKUNHWSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001604210856 1018323214 /nfs/dbraw/zinc/32/32/14/1018323214.db2.gz MCDSVONIUBHFJK-QMMMGPOBSA-N -1 0 300.336 -0.128 20 0 DBADRM CCCOC(=O)CCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604227040 1018324540 /nfs/dbraw/zinc/32/45/40/1018324540.db2.gz UWPZFIYMBBCOBX-MRVPVSSYSA-N -1 0 322.329 -0.521 20 0 DBADRM C[C@@H](Cc1ccc(NC(=O)C(=O)NC(CO)CO)cc1)C(=O)[O-] ZINC001604223787 1018324955 /nfs/dbraw/zinc/32/49/55/1018324955.db2.gz JDRBOZNMQJJJNO-VIFPVBQESA-N -1 0 324.333 -0.642 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001604215618 1018324969 /nfs/dbraw/zinc/32/49/69/1018324969.db2.gz VZVLDAFPGAUYHQ-FFVOIRBGSA-N -1 0 300.336 -0.570 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCc2nc[nH]c(=O)c2C1)C(=O)[O-] ZINC001604211356 1018325095 /nfs/dbraw/zinc/32/50/95/1018325095.db2.gz SMLCIJKQEIMYAD-SSDOTTSWSA-N -1 0 301.324 -0.409 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)C1(CC(=O)[O-])CCC1 ZINC001604220622 1018325173 /nfs/dbraw/zinc/32/51/73/1018325173.db2.gz FDCKHJAGXGJEES-UHFFFAOYSA-N -1 0 311.382 -0.136 20 0 DBADRM C[C@@H](Cc1ccc(NC(=O)C(=O)N(C)CC(N)=O)cc1)C(=O)[O-] ZINC001604225221 1018326189 /nfs/dbraw/zinc/32/61/89/1018326189.db2.gz RCHLVYIUKSSLLQ-VIFPVBQESA-N -1 0 321.333 -0.168 20 0 DBADRM CN1CCN(C(=O)C(=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001604216689 1018327471 /nfs/dbraw/zinc/32/74/71/1018327471.db2.gz TWXQIWWCXJLZET-VIFPVBQESA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)[C@@H](O)c1ccccn1)C(=O)[O-] ZINC001604241087 1018328911 /nfs/dbraw/zinc/32/89/11/1018328911.db2.gz AFVJJOCWQQIJSU-FZMZJTMJSA-N -1 0 304.306 -0.029 20 0 DBADRM CNC(=O)NC[C@H]1CCCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001604241495 1018329203 /nfs/dbraw/zinc/32/92/03/1018329203.db2.gz WWOBRIGRIUSJSV-SECBINFHSA-N -1 0 324.341 -0.714 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001604231659 1018329620 /nfs/dbraw/zinc/32/96/20/1018329620.db2.gz ZSHSDEDACDLWGJ-NXEZZACHSA-N -1 0 307.354 -0.172 20 0 DBADRM CN1CCOC[C@@]1(CO)CNC(=O)NCCCCC(=O)[O-] ZINC001604227338 1018329636 /nfs/dbraw/zinc/32/96/36/1018329636.db2.gz BGJMRBUAFMQIQS-ZDUSSCGKSA-N -1 0 303.359 -0.766 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001604237098 1018330562 /nfs/dbraw/zinc/33/05/62/1018330562.db2.gz UHKPKFGEXKVJPM-UHFFFAOYSA-N -1 0 321.337 -0.885 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)CCCn1cncn1)C(=O)[O-] ZINC001604241082 1018330642 /nfs/dbraw/zinc/33/06/42/1018330642.db2.gz AEDRMDQJQDDJSL-ZDUSSCGKSA-N -1 0 306.326 -0.086 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001604248430 1018331916 /nfs/dbraw/zinc/33/19/16/1018331916.db2.gz DFJBVDMBPMVONZ-QMTHXVAHSA-N -1 0 323.353 -0.504 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)c1ccnc(C(=O)[O-])c1)C(N)=O ZINC001604244687 1018332094 /nfs/dbraw/zinc/33/20/94/1018332094.db2.gz PEYNZSDPVFDRDT-AWEZNQCLSA-N -1 0 317.305 -0.350 20 0 DBADRM CNC(=O)c1cccc(NC(=O)C(=O)N(C)CCC(=O)[O-])c1 ZINC001604247052 1018332273 /nfs/dbraw/zinc/33/22/73/1018332273.db2.gz CEWMWSSOJOVALA-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001604246807 1018332476 /nfs/dbraw/zinc/33/24/76/1018332476.db2.gz IPZYBQAAAHSRDH-SNVBAGLBSA-N -1 0 308.338 -0.289 20 0 DBADRM CNC(=O)COc1cccc(CNC(=O)[C@H](OC)C(=O)[O-])c1 ZINC001604241516 1018332633 /nfs/dbraw/zinc/33/26/33/1018332633.db2.gz YMUUWRWKXFHZNF-LBPRGKRZSA-N -1 0 310.306 -0.473 20 0 DBADRM CCN(C(=O)Cc1noc(C)c1-c1nn[nH]n1)[C@H]1CCNC1=O ZINC001604260368 1018334028 /nfs/dbraw/zinc/33/40/28/1018334028.db2.gz PKNPAYYIJZSPOV-VIFPVBQESA-N -1 0 319.325 -0.557 20 0 DBADRM COC(=O)C(C)(C)CCN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001604253750 1018334337 /nfs/dbraw/zinc/33/43/37/1018334337.db2.gz QDXHCYCLJMRKBC-VIFPVBQESA-N -1 0 307.368 -0.241 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2CC(C(=O)[O-])C2)c(C)o1 ZINC001604249127 1018334417 /nfs/dbraw/zinc/33/44/17/1018334417.db2.gz RKJFECZBWRMLMI-UHFFFAOYSA-N -1 0 302.308 -0.347 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC001604249405 1018335300 /nfs/dbraw/zinc/33/53/00/1018335300.db2.gz JXOZXIPLCVQAIE-MRVPVSSYSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)C1CCC(F)CC1 ZINC001604255697 1018335424 /nfs/dbraw/zinc/33/54/24/1018335424.db2.gz JJYHWMIGJDUFBY-IDKOKCKLSA-N -1 0 316.329 -0.323 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001604250208 1018335445 /nfs/dbraw/zinc/33/54/45/1018335445.db2.gz UKLSDHPJTVXWCL-VIFPVBQESA-N -1 0 305.294 -0.657 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H](C)NC(=O)C1=COCCO1 ZINC001604265008 1018336320 /nfs/dbraw/zinc/33/63/20/1018336320.db2.gz SBJWFYMYKFXXEN-BDAKNGLRSA-N -1 0 322.321 -0.210 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccsc1C(=O)[O-])c1nnnn1C ZINC001604262617 1018336783 /nfs/dbraw/zinc/33/67/83/1018336783.db2.gz GYERMTMWMKTIPT-RXMQYKEDSA-N -1 0 324.322 -0.214 20 0 DBADRM C[C@H](NC(=O)C(=O)NCCCCC(=O)[O-])c1nnnn1C1CC1 ZINC001604261774 1018336934 /nfs/dbraw/zinc/33/69/34/1018336934.db2.gz PWSKBZWTWMJFBO-QMMMGPOBSA-N -1 0 324.341 -0.444 20 0 DBADRM C[C@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)[C@@H](O)C(F)(F)F ZINC001604277283 1018339775 /nfs/dbraw/zinc/33/97/75/1018339775.db2.gz KLVABPHYRXWTBR-IMTBSYHQSA-N -1 0 322.239 -0.026 20 0 DBADRM C[C@](NC(=O)CNC(=O)c1ncccc1O)(C(=O)[O-])C1CC1 ZINC001604273074 1018339918 /nfs/dbraw/zinc/33/99/18/1018339918.db2.gz NJXJZJXKDLEHNB-CQSZACIVSA-N -1 0 307.306 -0.114 20 0 DBADRM COC(=O)[C@H](CNC(=O)[C@]1(C(=O)[O-])CCCO1)[C@H]1CCOC1 ZINC001604268265 1018339942 /nfs/dbraw/zinc/33/99/42/1018339942.db2.gz SFZAZFWHKCIWRX-RBZYPMLTSA-N -1 0 315.322 -0.438 20 0 DBADRM COC(=O)[C@@]1(F)CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001604275502 1018340074 /nfs/dbraw/zinc/34/00/74/1018340074.db2.gz DBPVCWXYPHSRSF-GZMMTYOYSA-N -1 0 324.330 -0.633 20 0 DBADRM C[C@@](NC(=O)Cn1ncn2nccc2c1=O)(C(=O)[O-])C1CC1 ZINC001604277782 1018342098 /nfs/dbraw/zinc/34/20/98/1018342098.db2.gz SBNXVPYUUUZFMO-ZDUSSCGKSA-N -1 0 305.294 -0.740 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2cc(C(=O)[O-])nn2C)C1 ZINC001604279509 1018342826 /nfs/dbraw/zinc/34/28/26/1018342826.db2.gz CZJXDUDHAUZGRZ-JGVFFNPUSA-N -1 0 311.294 -0.886 20 0 DBADRM COC(=O)[C@H]1C[C@H](OC)CCN1CCS(=O)(=O)CC(=O)[O-] ZINC001604280523 1018342956 /nfs/dbraw/zinc/34/29/56/1018342956.db2.gz QJJFQESHGMKNLE-NXEZZACHSA-N -1 0 323.367 -0.862 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N2CCC[C@@H]2C(=O)[O-])C1=O ZINC001604289104 1018344363 /nfs/dbraw/zinc/34/43/63/1018344363.db2.gz CFBUXPRHMAAPMK-NXEZZACHSA-N -1 0 312.322 -0.526 20 0 DBADRM COC(=O)[C@H]1CSCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001604292800 1018345137 /nfs/dbraw/zinc/34/51/37/1018345137.db2.gz MMJXFTBKEGQRAA-APPZFPTMSA-N -1 0 316.335 -0.420 20 0 DBADRM COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC001604292768 1018345931 /nfs/dbraw/zinc/34/59/31/1018345931.db2.gz MAKYLPGMJYYRNS-SNVBAGLBSA-N -1 0 321.289 -0.764 20 0 DBADRM C[C@@H](NC(=O)NCc1nnn(C)n1)c1ncc(C(=O)[O-])s1 ZINC001604292129 1018346590 /nfs/dbraw/zinc/34/65/90/1018346590.db2.gz RDZAWBOOMLISCI-RXMQYKEDSA-N -1 0 311.327 -0.075 20 0 DBADRM COC(=O)[C@@H]1CN(C)CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001604293590 1018347160 /nfs/dbraw/zinc/34/71/60/1018347160.db2.gz VAHGBYRILHWDQY-YGRLFVJLSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@H](NC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1)C(N)=O ZINC001604295551 1018347530 /nfs/dbraw/zinc/34/75/30/1018347530.db2.gz MDIQFNRGDPTHHR-MRVPVSSYSA-N -1 0 322.321 -0.575 20 0 DBADRM COC(=O)CCSCCNC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001604318328 1018352421 /nfs/dbraw/zinc/35/24/21/1018352421.db2.gz ULEJFXSJDVCVHK-MRVPVSSYSA-N -1 0 304.324 -0.372 20 0 DBADRM C[C@@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)[C@@H]1CN(C)CCO1 ZINC001604306337 1018348087 /nfs/dbraw/zinc/34/80/87/1018348087.db2.gz QUHCKTPTMHGPKC-PZWNZHSQSA-N -1 0 300.355 -0.300 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])Cn1c2cnccc2n(C)c1=O ZINC001604317236 1018349743 /nfs/dbraw/zinc/34/97/43/1018349743.db2.gz HGIVDTRPCXSVQI-UHFFFAOYSA-N -1 0 322.321 -0.358 20 0 DBADRM COC(=O)CC[C@H](NC(=O)c1cccnc1C(N)=O)C(=O)[O-] ZINC001604321731 1018351928 /nfs/dbraw/zinc/35/19/28/1018351928.db2.gz CRIMYTWFKQHVCP-QMMMGPOBSA-N -1 0 309.278 -0.683 20 0 DBADRM COC(=O)CC[C@H](NC(=O)C(=O)N1CCC[C@@H](C)C1)C(=O)[O-] ZINC001604318430 1018352239 /nfs/dbraw/zinc/35/22/39/1018352239.db2.gz WHSAFBSTEGEKKH-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)c1cncc(F)c1 ZINC001604317517 1018352511 /nfs/dbraw/zinc/35/25/11/1018352511.db2.gz YZPGSSAPKULBFW-UHFFFAOYSA-N -1 0 320.298 -0.141 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H]1CSCN1C(C)=O)C(=O)[O-] ZINC001604317613 1018352704 /nfs/dbraw/zinc/35/27/04/1018352704.db2.gz CODZZKJPKUMAQH-DTWKUNHWSA-N -1 0 318.351 -0.570 20 0 DBADRM COC(=O)CN1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001604325747 1018352724 /nfs/dbraw/zinc/35/27/24/1018352724.db2.gz ARMOZTOWXQYSFO-UHFFFAOYSA-N -1 0 308.294 -0.894 20 0 DBADRM COC(=O)N[C@H](C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O)C(C)C ZINC001604344929 1018354026 /nfs/dbraw/zinc/35/40/26/1018354026.db2.gz HXSGMHXDIOFCCJ-SCZZXKLOSA-N -1 0 316.310 -0.404 20 0 DBADRM C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1nccc(N)n1 ZINC001604349832 1018354817 /nfs/dbraw/zinc/35/48/17/1018354817.db2.gz BYEUNHGGOQFHMX-ZETCQYMHSA-N -1 0 303.344 -0.639 20 0 DBADRM COC(=O)Cn1nc(C)c(CNC(=O)[C@@H](OC)C(=O)[O-])c1C ZINC001604341711 1018355624 /nfs/dbraw/zinc/35/56/24/1018355624.db2.gz PZUYEECQOIWUMV-LLVKDONJSA-N -1 0 313.310 -0.611 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001604358609 1018357508 /nfs/dbraw/zinc/35/75/08/1018357508.db2.gz OFWNXIRKFDFGRI-VIFPVBQESA-N -1 0 314.363 -0.132 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001604359071 1018358637 /nfs/dbraw/zinc/35/86/37/1018358637.db2.gz BTEPRMQPRGDIEA-PWSUYJOCSA-N -1 0 323.301 -0.102 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001604358179 1018359304 /nfs/dbraw/zinc/35/93/04/1018359304.db2.gz LDHHBZYRAZFBNM-UJNFCWOMSA-N -1 0 304.368 -0.507 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NC1(C(=O)[O-])CCSCC1 ZINC001604357694 1018360175 /nfs/dbraw/zinc/36/01/75/1018360175.db2.gz DOLSUQBKCBKUSQ-SSDOTTSWSA-N -1 0 310.397 -0.609 20 0 DBADRM COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCOC[C@@H]2C(=O)[O-])C1 ZINC001604359864 1018361121 /nfs/dbraw/zinc/36/11/21/1018361121.db2.gz WILSPZDQZFFJIK-HBNTYKKESA-N -1 0 315.322 -0.343 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1(CC(=O)[O-])CCC1 ZINC001604361450 1018361160 /nfs/dbraw/zinc/36/11/60/1018361160.db2.gz NIWJZOQMDPFBNQ-IUCAKERBSA-N -1 0 314.338 -0.186 20 0 DBADRM COC(=O)[C@H]1C[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001604361485 1018362149 /nfs/dbraw/zinc/36/21/49/1018362149.db2.gz OFRHTLJJSNUSMM-MGCOHNPYSA-N -1 0 320.367 -0.431 20 0 DBADRM CCOC(=O)[C@@H](C)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604360596 1018362486 /nfs/dbraw/zinc/36/24/86/1018362486.db2.gz DHJQVTUBUUJTGQ-JGVFFNPUSA-N -1 0 322.329 -0.665 20 0 DBADRM C[C@](O)(C[C@H](O)CN1CCNC(=O)[C@@H]1CC(=O)[O-])C1CC1 ZINC001604368913 1018363575 /nfs/dbraw/zinc/36/35/75/1018363575.db2.gz FCSBDOBGXONCHK-MJVIPROJSA-N -1 0 300.355 -0.827 20 0 DBADRM COC(=O)[C@H]1[C@@H]2CN(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C[C@@H]21 ZINC001604359808 1018364072 /nfs/dbraw/zinc/36/40/72/1018364072.db2.gz UWVSWZQBABZDJW-QCLAVDOMSA-N -1 0 318.351 -0.869 20 0 DBADRM C[C@@](O)(CNC(=O)[C@]1(C)Oc2ccccc2NC1=O)C(=O)[O-] ZINC001604373894 1018364681 /nfs/dbraw/zinc/36/46/81/1018364681.db2.gz PNNPAQVGYIFEAM-KGLIPLIRSA-N -1 0 308.290 -0.272 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001604377228 1018364697 /nfs/dbraw/zinc/36/46/97/1018364697.db2.gz CGXPTTIYUOVCPY-AWEZNQCLSA-N -1 0 324.333 -0.963 20 0 DBADRM C[C@H](O)CN(CC(F)F)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001604386204 1018367949 /nfs/dbraw/zinc/36/79/49/1018367949.db2.gz DDTWXGKBRUJFCI-ZETCQYMHSA-N -1 0 304.315 -0.414 20 0 DBADRM C[C@](O)(CO)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001604376993 1018365582 /nfs/dbraw/zinc/36/55/82/1018365582.db2.gz YKAQTBCFLSYREQ-CYBMUJFWSA-N -1 0 314.269 -0.678 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001604378925 1018366161 /nfs/dbraw/zinc/36/61/61/1018366161.db2.gz PCVJUQJFIDCUJH-HBSDOPKDSA-N -1 0 302.302 -0.713 20 0 DBADRM O=C(C[C@@H]1C=CCC1)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500631341 1018366233 /nfs/dbraw/zinc/36/62/33/1018366233.db2.gz MRFQTOVCLGFBAY-ABAIWWIYSA-N -1 0 321.381 -0.080 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)C1 ZINC001604379708 1018366393 /nfs/dbraw/zinc/36/63/93/1018366393.db2.gz HJDVPOWJUNDFFY-YFKTTZPYSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)COCc2ocnc2C(=O)[O-])CCO1 ZINC001604381516 1018367344 /nfs/dbraw/zinc/36/73/44/1018367344.db2.gz WTQGAMZDFQWPCA-RKDXNWHRSA-N -1 0 314.294 -0.502 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001604380620 1018367669 /nfs/dbraw/zinc/36/76/69/1018367669.db2.gz VOYVYKBJPHTUCY-SDBXPKJASA-N -1 0 321.333 -0.077 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ocnc1C(=O)[O-] ZINC001604380248 1018367921 /nfs/dbraw/zinc/36/79/21/1018367921.db2.gz UPYQJXHCIYRSAG-RCOVLWMOSA-N -1 0 311.294 -0.735 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)C1CC1 ZINC001604384744 1018368169 /nfs/dbraw/zinc/36/81/69/1018368169.db2.gz XDFCINBBPXWMMC-OUAUKWLOSA-N -1 0 312.366 -0.073 20 0 DBADRM COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1C ZINC001604382288 1018368974 /nfs/dbraw/zinc/36/89/74/1018368974.db2.gz BLLFZOWINHDEOW-RFAUZJTJSA-N -1 0 322.317 -0.015 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CCS(=O)(=O)C1)c1cn(CC(=O)[O-])nn1 ZINC001604396610 1018370526 /nfs/dbraw/zinc/37/05/26/1018370526.db2.gz HSHNVIANEAPGFO-SFYZADRCSA-N -1 0 317.323 -0.598 20 0 DBADRM C[C@@H](OC(=O)C(C)(C)N1CCOCC1)C(=O)NCC(=O)[O-] ZINC001604392968 1018370800 /nfs/dbraw/zinc/37/08/00/1018370800.db2.gz OHQGYDRFRQYABP-SECBINFHSA-N -1 0 302.327 -0.770 20 0 DBADRM C[C@H](OC(=O)CCc1ccccc1C(N)=O)C(=O)NCC(=O)[O-] ZINC001604396888 1018371421 /nfs/dbraw/zinc/37/14/21/1018371421.db2.gz CHGDKIRUUKVKBF-VIFPVBQESA-N -1 0 322.317 -0.149 20 0 DBADRM C[C@@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)C(C)(C)C(=O)[O-] ZINC001604395879 1018372258 /nfs/dbraw/zinc/37/22/58/1018372258.db2.gz AJLZMJWWMFVBLV-RNFRBKRXSA-N -1 0 314.294 -0.414 20 0 DBADRM COC(=O)c1cn(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nn1 ZINC001604404042 1018373253 /nfs/dbraw/zinc/37/32/53/1018373253.db2.gz ZQNMEFXOTMCOJD-VHSXEESVSA-N -1 0 322.321 -0.366 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)N[C@H](C)CC(=O)[O-] ZINC001604411225 1018373685 /nfs/dbraw/zinc/37/36/85/1018373685.db2.gz UXGWDFYQTKICDR-SSDOTTSWSA-N -1 0 300.267 -0.043 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001604403977 1018374091 /nfs/dbraw/zinc/37/40/91/1018374091.db2.gz XPDVVPQSHUXSGU-OLQVQODUSA-N -1 0 303.296 -0.662 20 0 DBADRM C[C@H](OC(=O)Cn1cc(C(=O)[O-])cn1)C(=O)N1CCNC1=O ZINC001604404756 1018375225 /nfs/dbraw/zinc/37/52/25/1018375225.db2.gz LYSGDXWPBBSDBQ-ZETCQYMHSA-N -1 0 310.266 -0.935 20 0 DBADRM C[C@@H](OC(=O)c1ccnc2c1CC(=O)N2)C(=O)NCC(=O)[O-] ZINC001604415760 1018375363 /nfs/dbraw/zinc/37/53/63/1018375363.db2.gz NCVXVUVNZOXUNN-ZCFIWIBFSA-N -1 0 307.262 -0.678 20 0 DBADRM COC(=O)c1ncoc1CCC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001604410966 1018375456 /nfs/dbraw/zinc/37/54/56/1018375456.db2.gz LEYWXRCFVPOOJQ-GFCCVEGCSA-N -1 0 300.267 -0.654 20 0 DBADRM C[C@H](OC(=O)Cn1cc(C(=O)[O-])cn1)C(=O)N1CCOCC1 ZINC001604404376 1018375793 /nfs/dbraw/zinc/37/57/93/1018375793.db2.gz DMPXIQINMFJDAE-VIFPVBQESA-N -1 0 311.294 -0.628 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)C(=O)[O-] ZINC001604405968 1018375991 /nfs/dbraw/zinc/37/59/91/1018375991.db2.gz CJBDRPZIIDZKDQ-QXRNQMCJSA-N -1 0 300.185 -0.082 20 0 DBADRM C[C@H](OC(=O)c1cn(C)nn1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001604416525 1018376579 /nfs/dbraw/zinc/37/65/79/1018376579.db2.gz TYFWCVLMRQMUEI-QMMMGPOBSA-N -1 0 310.310 -0.316 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC1CCN(c2nc(C)cc(=O)[nH]2)CC1 ZINC001604423073 1018377253 /nfs/dbraw/zinc/37/72/53/1018377253.db2.gz DGSPYPYDWDIIPL-LLVKDONJSA-N -1 0 324.337 -0.325 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001604421184 1018377486 /nfs/dbraw/zinc/37/74/86/1018377486.db2.gz HXRADXQHLZHORC-MNOVXSKESA-N -1 0 313.354 -0.310 20 0 DBADRM CCOCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001604421772 1018377652 /nfs/dbraw/zinc/37/76/52/1018377652.db2.gz LSQZFXAZZBCOFA-UHFFFAOYSA-N -1 0 311.323 -0.292 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@H](O)COc1cccc(F)c1 ZINC001604422995 1018378837 /nfs/dbraw/zinc/37/88/37/1018378837.db2.gz BULQVBLFFSAFMJ-ONGXEEELSA-N -1 0 301.270 -0.219 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 ZINC001604431879 1018380473 /nfs/dbraw/zinc/38/04/73/1018380473.db2.gz ISFYLIHCSNZKEC-GXSJLCMTSA-N -1 0 312.326 -0.503 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1ncc(Br)cn1 ZINC001604434784 1018381622 /nfs/dbraw/zinc/38/16/22/1018381622.db2.gz NIDQCELMAXEGOI-ZETCQYMHSA-N -1 0 304.100 -0.045 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC001604431548 1018380754 /nfs/dbraw/zinc/38/07/54/1018380754.db2.gz DBXUGDBNTNLSKM-ZWNOBZJWSA-N -1 0 318.395 -0.590 20 0 DBADRM CCO[N-]C(=O)CNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001604437767 1018382099 /nfs/dbraw/zinc/38/20/99/1018382099.db2.gz IHWGDHZSWPGEGW-UHFFFAOYSA-N -1 0 320.309 -0.571 20 0 DBADRM CCOCCn1c(=O)c(-c2nnn[n-]2)c(C)n(C2CC2)c1=O ZINC001604432626 1018382502 /nfs/dbraw/zinc/38/25/02/1018382502.db2.gz GVGXOLPUUDLGSK-UHFFFAOYSA-N -1 0 306.326 -0.130 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC[C@H](CS(C)(=O)=O)C1 ZINC001604450059 1018384364 /nfs/dbraw/zinc/38/43/64/1018384364.db2.gz ARZGXUZMEHWQPF-JOYOIKCWSA-N -1 0 307.368 -0.241 20 0 DBADRM COC(COCCNC(=O)C1(C(=O)[O-])CCOCC1)OC ZINC001604481976 1018386156 /nfs/dbraw/zinc/38/61/56/1018386156.db2.gz RATSRHSTJZPZER-UHFFFAOYSA-N -1 0 305.327 -0.381 20 0 DBADRM C[C@@H](Sc1nnnn1CC(F)(F)F)C(=O)NCC(=O)[O-] ZINC001604459821 1018384779 /nfs/dbraw/zinc/38/47/79/1018384779.db2.gz VRCQTZUSGBMDLK-SCSAIBSYSA-N -1 0 313.261 -0.083 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC001604442493 1018385041 /nfs/dbraw/zinc/38/50/41/1018385041.db2.gz VOHBHHJMEQGVFF-LLVKDONJSA-N -1 0 323.305 -0.670 20 0 DBADRM C[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)NCC(=O)[O-] ZINC001604458842 1018385349 /nfs/dbraw/zinc/38/53/49/1018385349.db2.gz JJSSIUZZDCNHIZ-HTQZYQBOSA-N -1 0 315.355 -0.467 20 0 DBADRM C[C@H](c1nc(N)nc(N(C)C)n1)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001604479772 1018385973 /nfs/dbraw/zinc/38/59/73/1018385973.db2.gz WGYADCVZXNCKOQ-VGMNWLOBSA-N -1 0 310.358 -0.652 20 0 DBADRM CO[C@](C)(CNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C1CC1 ZINC001604472047 1018386718 /nfs/dbraw/zinc/38/67/18/1018386718.db2.gz PCHKTACERUSYOZ-CQSZACIVSA-N -1 0 324.337 -0.163 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC001604471286 1018387179 /nfs/dbraw/zinc/38/71/79/1018387179.db2.gz QCBJBUYIAMIFAZ-HBNTYKKESA-N -1 0 316.354 -0.667 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Oc1ccc(C(=O)NCC(N)=O)cc1 ZINC001604473678 1018388268 /nfs/dbraw/zinc/38/82/68/1018388268.db2.gz ZGUQTTLETAPNDD-AWEZNQCLSA-N -1 0 324.289 -0.703 20 0 DBADRM C[C@@]1(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CCOC1 ZINC001604486145 1018389006 /nfs/dbraw/zinc/38/90/06/1018389006.db2.gz SSCNOUHZKSGNPA-HUUCEWRRSA-N -1 0 312.366 -0.199 20 0 DBADRM C[C@@]1(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CCC(=O)NC1 ZINC001604485481 1018389468 /nfs/dbraw/zinc/38/94/68/1018389468.db2.gz AQZZVNKGEWOZQM-ISVAXAHUSA-N -1 0 300.311 -0.765 20 0 DBADRM C[C@]1(C(=O)NCC2(C(=O)[O-])CCOCC2)CCCS1(=O)=O ZINC001604485894 1018389561 /nfs/dbraw/zinc/38/95/61/1018389561.db2.gz AVPOSXUCQHVRFB-GFCCVEGCSA-N -1 0 319.379 -0.049 20 0 DBADRM CC1(C(=O)N2CCC(O)(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)CC1 ZINC001604485090 1018389734 /nfs/dbraw/zinc/38/97/34/1018389734.db2.gz YLRGKONDRCYIGQ-GHMZBOCLSA-N -1 0 324.377 -0.023 20 0 DBADRM CC1(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CC=CC1 ZINC001604484840 1018390418 /nfs/dbraw/zinc/39/04/18/1018390418.db2.gz TUPTVAQRMWRVDG-QWRGUYRKSA-N -1 0 322.361 -0.247 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCSC1 ZINC001604487589 1018390488 /nfs/dbraw/zinc/39/04/88/1018390488.db2.gz PTIRWDAKDXQDJL-RWEMILLDSA-N -1 0 316.379 -0.396 20 0 DBADRM C[C@@]1(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)CCCS1(=O)=O ZINC001604486998 1018390793 /nfs/dbraw/zinc/39/07/93/1018390793.db2.gz PMMBPBLGEZEYFM-RYUDHWBXSA-N -1 0 305.352 -0.439 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(CCO)CC(F)F)C1 ZINC001604497437 1018392100 /nfs/dbraw/zinc/39/21/00/1018392100.db2.gz HFWXSMJHSRZDLI-GFCCVEGCSA-N -1 0 308.281 -0.604 20 0 DBADRM CO[C@@H]1CCC[C@H]1Cn1nnnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001604501272 1018392768 /nfs/dbraw/zinc/39/27/68/1018392768.db2.gz UWIXPVUCGYKVIO-HBNTYKKESA-N -1 0 311.342 -0.222 20 0 DBADRM COC[C@@H](C)Cn1nnnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001604515118 1018394076 /nfs/dbraw/zinc/39/40/76/1018394076.db2.gz SCLSTWKDXOZZSF-OPQQBVKSSA-N -1 0 311.342 -0.507 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001604505248 1018395157 /nfs/dbraw/zinc/39/51/57/1018395157.db2.gz SOKLOUMUZUYOFZ-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001604505004 1018395241 /nfs/dbraw/zinc/39/52/41/1018395241.db2.gz LUXDHQWGRRDHSK-LMLFDSFASA-N -1 0 314.338 -0.772 20 0 DBADRM COC[C@H](O)c1nnc(N2CC[C@](COC)(C(=O)[O-])C2)n1C ZINC001604524024 1018396342 /nfs/dbraw/zinc/39/63/42/1018396342.db2.gz ZLSKIYRLNLDUET-ZANVPECISA-N -1 0 314.342 -0.578 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)Cn2cncn2)C1 ZINC001604526017 1018397371 /nfs/dbraw/zinc/39/73/71/1018397371.db2.gz DVBCLLPDXBYDGY-GXFFZTMASA-N -1 0 311.342 -0.201 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2COC[C@@H]2C)C1 ZINC001604523093 1018397384 /nfs/dbraw/zinc/39/73/84/1018397384.db2.gz KKUGFJGQBZGVLP-BHDSKKPTSA-N -1 0 314.338 -0.913 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC001604526364 1018397707 /nfs/dbraw/zinc/39/77/07/1018397707.db2.gz GUFMVYUEBUATKD-HNNXBMFYSA-N -1 0 321.333 -0.239 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](C)N2CCN(C)CC2)C1 ZINC001604523104 1018397834 /nfs/dbraw/zinc/39/78/34/1018397834.db2.gz KQHHITAMRICWEE-IUODEOHRSA-N -1 0 313.398 -0.428 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCn2cccc2)C1 ZINC001604522740 1018398116 /nfs/dbraw/zinc/39/81/16/1018398116.db2.gz FSHINWULFXVQTB-OAHLLOKOSA-N -1 0 323.349 -0.446 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H]2CCN(C)C(=O)C2)CCO1 ZINC001604550735 1018398891 /nfs/dbraw/zinc/39/88/91/1018398891.db2.gz KUZIWYUYLKORKL-HZMBPMFUSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C[C@@](C)(O)C2CC2)CCO1 ZINC001604551934 1018399357 /nfs/dbraw/zinc/39/93/57/1018399357.db2.gz YPRUPPIBNWKWQU-KGLIPLIRSA-N -1 0 301.339 -0.134 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)NC[C@H](CC(=O)[O-])C2CC2)C1=O ZINC001604554975 1018399443 /nfs/dbraw/zinc/39/94/43/1018399443.db2.gz VYXJPOZKSWQZDB-VIFPVBQESA-N -1 0 311.338 -0.066 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C[C@@H]2COC(=O)C2)CCO1 ZINC001604551599 1018399477 /nfs/dbraw/zinc/39/94/77/1018399477.db2.gz SGCFKTNEOLLQTE-ZANVPECISA-N -1 0 301.295 -0.732 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C[C@](C)(O)C2CC2)CCO1 ZINC001604551933 1018399593 /nfs/dbraw/zinc/39/95/93/1018399593.db2.gz YPRUPPIBNWKWQU-KBPBESRZSA-N -1 0 301.339 -0.134 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CCO1 ZINC001604550718 1018399888 /nfs/dbraw/zinc/39/98/88/1018399888.db2.gz OOPJQKKKYPLACD-KEPMVKOISA-N -1 0 300.311 -0.857 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@H]2C[C@H](OC)C2)CCO1 ZINC001604548916 1018400112 /nfs/dbraw/zinc/40/01/12/1018400112.db2.gz BPQYAOMHGZTWRK-KWBADKCTSA-N -1 0 302.327 -0.325 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)C[C@@H]2COC(=O)C2)CCO1 ZINC001604551598 1018400343 /nfs/dbraw/zinc/40/03/43/1018400343.db2.gz SGCFKTNEOLLQTE-TVQRCGJNSA-N -1 0 301.295 -0.732 20 0 DBADRM CC1(C)OCC(NC(=O)C(=O)NCCCCC(=O)[O-])CO1 ZINC001604560010 1018401335 /nfs/dbraw/zinc/40/13/35/1018401335.db2.gz MLTHSCRZUCMMPR-UHFFFAOYSA-N -1 0 302.327 -0.375 20 0 DBADRM CC1(C)OC[C@H](/C=C/C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])O1 ZINC001604562394 1018401563 /nfs/dbraw/zinc/40/15/63/1018401563.db2.gz TVVMWXRCTKBFFC-OHINUGQQSA-N -1 0 310.310 -0.445 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CC[C@H]2CCS(=O)(=O)C2)CCO1 ZINC001604556660 1018401697 /nfs/dbraw/zinc/40/16/97/1018401697.db2.gz BMPISYMQLLGHPC-WCQYABFASA-N -1 0 321.395 -0.387 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CC(=O)N2CCO[C@H](C)C2)CCO1 ZINC001604558561 1018401955 /nfs/dbraw/zinc/40/19/55/1018401955.db2.gz PHWREESFBGEZLC-BXUZGUMPSA-N -1 0 316.354 -0.964 20 0 DBADRM CC1(C)OC[C@H](CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])O1 ZINC001604560303 1018402048 /nfs/dbraw/zinc/40/20/48/1018402048.db2.gz QPRLFKZUNWZVIV-UWVGGRQHSA-N -1 0 307.368 -0.288 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)CCO1 ZINC001604558218 1018402450 /nfs/dbraw/zinc/40/24/50/1018402450.db2.gz UYRMMLDSVHHNIY-VYUIOLGVSA-N -1 0 301.295 -0.876 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@H]2[C@@H](C(=O)OC)C2(F)F)CCO1 ZINC001604557578 1018402832 /nfs/dbraw/zinc/40/28/32/1018402832.db2.gz ICLATMUKTCFXMJ-AUTRQRHGSA-N -1 0 323.292 -0.157 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H]2C[C@@H](C(=O)OC)C2)CCO1 ZINC001604556701 1018403104 /nfs/dbraw/zinc/40/31/04/1018403104.db2.gz GFWHYZYHPWKPOX-ISTVAULSSA-N -1 0 315.322 -0.486 20 0 DBADRM C[C@@]1(CCC(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CCC(=O)N1 ZINC001604570739 1018404079 /nfs/dbraw/zinc/40/40/79/1018404079.db2.gz FXXPAUPNOGOSIM-LKFCYVNXSA-N -1 0 314.338 -0.232 20 0 DBADRM COC[C@@H]1CN(C(=O)NCCOCCOCC(=O)[O-])CCO1 ZINC001604567665 1018404431 /nfs/dbraw/zinc/40/44/31/1018404431.db2.gz UQTNUONCPDPHMZ-NSHDSACASA-N -1 0 320.342 -0.839 20 0 DBADRM COC[C@@H]1CCCN(C(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC001604567103 1018405015 /nfs/dbraw/zinc/40/50/15/1018405015.db2.gz GTUPKRRBCHDSEV-SNVBAGLBSA-N -1 0 302.327 -0.911 20 0 DBADRM COC[C@H]1CN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCO1 ZINC001604567202 1018405119 /nfs/dbraw/zinc/40/51/19/1018405119.db2.gz KJMUTLACEBCXGX-GHMZBOCLSA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@]1(CCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CCC(=O)N1 ZINC001604571404 1018405230 /nfs/dbraw/zinc/40/52/30/1018405230.db2.gz JTUNFMIXMHCRCG-IINYFYTJSA-N -1 0 308.338 -0.030 20 0 DBADRM COCC1(S(=O)(=O)N(CCC(=O)OC)CC(=O)[O-])CC1 ZINC001604567694 1018405355 /nfs/dbraw/zinc/40/53/55/1018405355.db2.gz WYRPQBYZCAKOKE-UHFFFAOYSA-N -1 0 309.340 -0.555 20 0 DBADRM CC1(CCNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)OCCO1 ZINC001604572679 1018406812 /nfs/dbraw/zinc/40/68/12/1018406812.db2.gz LWQABNWUEYQEIV-VHSXEESVSA-N -1 0 302.327 -0.384 20 0 DBADRM C[C@@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCC(=O)N1 ZINC001604580301 1018406990 /nfs/dbraw/zinc/40/69/90/1018406990.db2.gz LQWGCHQKSYUYSM-JTQLQIEISA-N -1 0 303.296 -0.680 20 0 DBADRM COCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1CCOCC1 ZINC001604580718 1018407657 /nfs/dbraw/zinc/40/76/57/1018407657.db2.gz JXUPYBIYLXJUDC-JTQLQIEISA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@]1(CCCC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)NC(=O)NC1=O ZINC001604571894 1018407670 /nfs/dbraw/zinc/40/76/70/1018407670.db2.gz AELUBHODZUPYBC-VGMIOIIVSA-N -1 0 309.322 -0.456 20 0 DBADRM COCCCN(CCO)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001604578347 1018407774 /nfs/dbraw/zinc/40/77/74/1018407774.db2.gz FWFWYHWKIXGPLX-NSHDSACASA-N -1 0 316.354 -0.833 20 0 DBADRM COCCCn1nc(C(=O)N(OC)[C@@H](C)C(=O)[O-])ccc1=O ZINC001604580778 1018407828 /nfs/dbraw/zinc/40/78/28/1018407828.db2.gz ORJAYIAEYQKTJP-VIFPVBQESA-N -1 0 313.310 -0.244 20 0 DBADRM COCCN(C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001604584483 1018409195 /nfs/dbraw/zinc/40/91/95/1018409195.db2.gz RNPYSAVRJSTGDK-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CC1(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)OCCCO1 ZINC001604584718 1018409869 /nfs/dbraw/zinc/40/98/69/1018409869.db2.gz ICZKYXBOZZRPHM-UHFFFAOYSA-N -1 0 319.339 -0.601 20 0 DBADRM C[C@@]1(CO)CCCN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001604585019 1018409918 /nfs/dbraw/zinc/40/99/18/1018409918.db2.gz UFSCWZXXWGFTLG-CYBMUJFWSA-N -1 0 311.342 -0.220 20 0 DBADRM C[C@@]1(CO)C[C@H](O)CN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001604585021 1018409984 /nfs/dbraw/zinc/40/99/84/1018409984.db2.gz UHSMWWMXOKPNHT-DYNIEEOBSA-N -1 0 301.339 -0.400 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@@](C)(O)C1 ZINC001604597313 1018410144 /nfs/dbraw/zinc/41/01/44/1018410144.db2.gz CDUMBFUUEMCTJT-CQSZACIVSA-N -1 0 316.354 -0.691 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001604600823 1018411354 /nfs/dbraw/zinc/41/13/54/1018411354.db2.gz WTBCKQFCXOIGJP-NSHDSACASA-N -1 0 324.399 -0.490 20 0 DBADRM CCn1ccc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)n1 ZINC001604609379 1018411901 /nfs/dbraw/zinc/41/19/01/1018411901.db2.gz GLUHVRLNEPLAFW-UHFFFAOYSA-N -1 0 317.313 -0.506 20 0 DBADRM COCCN1CN(C(=O)C2(C(=O)[O-])CCOCC2)CC1=O ZINC001604612300 1018414919 /nfs/dbraw/zinc/41/49/19/1018414919.db2.gz BDDNIYGFUFJOHQ-UHFFFAOYSA-N -1 0 300.311 -0.858 20 0 DBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC001604611557 1018414967 /nfs/dbraw/zinc/41/49/67/1018414967.db2.gz GIGSVXZZVLGVRF-UHTWSYAYSA-N -1 0 315.366 -0.030 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H](C)/C=C\C(=O)[O-] ZINC001604618756 1018415049 /nfs/dbraw/zinc/41/50/49/1018415049.db2.gz TVINSPWFUZWOCY-MJSGSUOKSA-N -1 0 301.324 -0.333 20 0 DBADRM COCCO[C@]12CCC[C@@]1(NC(=O)[C@H](OC)C(=O)[O-])CCO2 ZINC001604619084 1018415432 /nfs/dbraw/zinc/41/54/32/1018415432.db2.gz MAILIBQTISMFSC-ZLKJLUDKSA-N -1 0 317.338 -0.096 20 0 DBADRM CCn1ccnc1NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604612519 1018415525 /nfs/dbraw/zinc/41/55/25/1018415525.db2.gz IUMPJBAXDNNYCK-SSDOTTSWSA-N -1 0 302.302 -0.126 20 0 DBADRM C[C@H]1C(=O)N(C)CN1S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001604619910 1018415690 /nfs/dbraw/zinc/41/56/90/1018415690.db2.gz GNNURNNHTCSWKP-ZETCQYMHSA-N -1 0 301.324 -0.468 20 0 DBADRM COCCOCCn1nnnc1N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001604617361 1018415723 /nfs/dbraw/zinc/41/57/23/1018415723.db2.gz DOYZJJBPWPMOTA-MNOVXSKESA-N -1 0 313.358 -0.117 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCc1nc(C2CC2)no1 ZINC001604627254 1018416946 /nfs/dbraw/zinc/41/69/46/1018416946.db2.gz PWIDIMFSYAZICC-IONNQARKSA-N -1 0 322.321 -0.115 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC001604628547 1018417141 /nfs/dbraw/zinc/41/71/41/1018417141.db2.gz YJFVROINFYXABV-IUCAKERBSA-N -1 0 319.321 -0.548 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCn2cncc2C1 ZINC001604623532 1018417180 /nfs/dbraw/zinc/41/71/80/1018417180.db2.gz MGACJFGGPDEINQ-ONGXEEELSA-N -1 0 306.322 -0.453 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cncnc1N(C)C ZINC001604628402 1018417265 /nfs/dbraw/zinc/41/72/65/1018417265.db2.gz ZOQHOSIPUOYQIP-BDAKNGLRSA-N -1 0 321.337 -0.197 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC001604624082 1018417639 /nfs/dbraw/zinc/41/76/39/1018417639.db2.gz PXDXJHHBVVCPKI-HKWIRBFKSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCC(CCO)CC1 ZINC001604623302 1018417668 /nfs/dbraw/zinc/41/76/68/1018417668.db2.gz KKSPHGUBDBPWMC-CMPLNLGQSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1cncnc1N(C)C ZINC001604628404 1018418104 /nfs/dbraw/zinc/41/81/04/1018418104.db2.gz ZOQHOSIPUOYQIP-IUCAKERBSA-N -1 0 321.337 -0.197 20 0 DBADRM CN(C(=O)NCCn1cnc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001604643138 1018419977 /nfs/dbraw/zinc/41/99/77/1018419977.db2.gz MQPNVMJUBCQJNM-UHFFFAOYSA-N -1 0 321.345 -0.721 20 0 DBADRM C[C@H]1CC(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001604647022 1018420028 /nfs/dbraw/zinc/42/00/28/1018420028.db2.gz JBLBPHCEBCSHJS-QMMMGPOBSA-N -1 0 315.351 -0.378 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001604631757 1018420123 /nfs/dbraw/zinc/42/01/23/1018420123.db2.gz AUFCWLLPNVYJRU-IONNQARKSA-N -1 0 310.310 -0.510 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)c1cc(C(=O)[O-])n[nH]1)C2 ZINC001604639726 1018420366 /nfs/dbraw/zinc/42/03/66/1018420366.db2.gz RBNBRLGWHJEYST-UHFFFAOYSA-N -1 0 320.309 -0.456 20 0 DBADRM C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001604647710 1018420777 /nfs/dbraw/zinc/42/07/77/1018420777.db2.gz UKPNIQLWLQCGQN-MRVPVSSYSA-N -1 0 313.335 -0.321 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)CO1 ZINC001604648355 1018421873 /nfs/dbraw/zinc/42/18/73/1018421873.db2.gz OAXBHTBYLJGNAQ-ZJUUUORDSA-N -1 0 308.338 -0.108 20 0 DBADRM C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001604661644 1018423073 /nfs/dbraw/zinc/42/30/73/1018423073.db2.gz BGFXLPPHAQNZBJ-KKOKHZNYSA-N -1 0 312.366 -0.215 20 0 DBADRM CO[C@@H]1CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001604661193 1018423098 /nfs/dbraw/zinc/42/30/98/1018423098.db2.gz DOMHQLFLBMTJJP-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM COCc1nsc(N2CCO[C@@](COC)(C(=O)[O-])C2)n1 ZINC001604651246 1018423255 /nfs/dbraw/zinc/42/32/55/1018423255.db2.gz JUMJCGWTJBTYEZ-NSHDSACASA-N -1 0 303.340 -0.009 20 0 DBADRM C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001604661703 1018423475 /nfs/dbraw/zinc/42/34/75/1018423475.db2.gz CAUZUTVWNAKJAK-KKOKHZNYSA-N -1 0 312.366 -0.167 20 0 DBADRM CON(C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)[C@H](C)C(=O)[O-] ZINC001604651408 1018423561 /nfs/dbraw/zinc/42/35/61/1018423561.db2.gz QLSBEBFDCGKMMD-RKDXNWHRSA-N -1 0 317.342 -0.744 20 0 DBADRM COCc1noc(CN2CCN(C(=O)CCC(=O)[O-])CC2)n1 ZINC001604651845 1018423718 /nfs/dbraw/zinc/42/37/18/1018423718.db2.gz XXMFLYPCGUVWHC-UHFFFAOYSA-N -1 0 312.326 -0.275 20 0 DBADRM CON(C(=O)CN1C(=O)NC2(CCCC2)C1=O)[C@H](C)C(=O)[O-] ZINC001604657890 1018423728 /nfs/dbraw/zinc/42/37/28/1018423728.db2.gz SXWKWECIWYMABB-MRVPVSSYSA-N -1 0 313.310 -0.286 20 0 DBADRM CON(C(=O)CCCN1C(=O)NC(C)(C)C1=O)[C@@H](C)C(=O)[O-] ZINC001604655650 1018423736 /nfs/dbraw/zinc/42/37/36/1018423736.db2.gz KVBORZYWGVZWIY-QMMMGPOBSA-N -1 0 315.326 -0.040 20 0 DBADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)Cn1ccc(=O)n(C)c1=O ZINC001604659590 1018423786 /nfs/dbraw/zinc/42/37/86/1018423786.db2.gz YCYCHEDVCIPJKN-UWVGGRQHSA-N -1 0 323.349 -0.353 20 0 DBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1cn(CC(=O)[O-])nn1 ZINC001604671655 1018424770 /nfs/dbraw/zinc/42/47/70/1018424770.db2.gz CIQOZPHTEOYDCE-DGCLKSJQSA-N -1 0 309.370 -0.342 20 0 DBADRM CO[C@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001604668964 1018424945 /nfs/dbraw/zinc/42/49/45/1018424945.db2.gz CKHVSZBYHDAFGN-KYZUINATSA-N -1 0 305.352 -0.440 20 0 DBADRM COc1c(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)c(C)nn1C ZINC001604669411 1018425610 /nfs/dbraw/zinc/42/56/10/1018425610.db2.gz MSIOZMJXJXHJIG-MRVPVSSYSA-N -1 0 311.294 -0.421 20 0 DBADRM CON(C)CCCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001604663519 1018425794 /nfs/dbraw/zinc/42/57/94/1018425794.db2.gz VIINTMHKBWRKDJ-UHFFFAOYSA-N -1 0 322.383 -0.735 20 0 DBADRM COc1c(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cnn1C ZINC001604669703 1018425829 /nfs/dbraw/zinc/42/58/29/1018425829.db2.gz ZAUJIGIPLXEVTK-SNVBAGLBSA-N -1 0 324.337 -0.376 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CS1 ZINC001604671977 1018425975 /nfs/dbraw/zinc/42/59/75/1018425975.db2.gz FSLJOIOHLFIRMC-KXUCPTDWSA-N -1 0 316.379 -0.301 20 0 DBADRM CON(C)C(=O)C1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001604663553 1018426168 /nfs/dbraw/zinc/42/61/68/1018426168.db2.gz WSJYVXUGSQOQMT-CQSZACIVSA-N -1 0 314.338 -0.121 20 0 DBADRM C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC001604662342 1018426217 /nfs/dbraw/zinc/42/62/17/1018426217.db2.gz FSKAYSZXXMLSMJ-WOPDTQHZSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C(=O)O1 ZINC001604677168 1018427417 /nfs/dbraw/zinc/42/74/17/1018427417.db2.gz RNQNKZWZGIKDFC-MAGOMRGPSA-N -1 0 312.322 -0.177 20 0 DBADRM C[C@@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccn2)C(=O)O1 ZINC001604678328 1018427428 /nfs/dbraw/zinc/42/74/28/1018427428.db2.gz YQRNCJDIQUGQQZ-SVRRBLITSA-N -1 0 300.292 -0.238 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CCO1 ZINC001604672463 1018427484 /nfs/dbraw/zinc/42/74/84/1018427484.db2.gz LXJKQLNMGPZMJC-JGVFFNPUSA-N -1 0 310.310 -0.260 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)[C@H](C)O1 ZINC001604672229 1018427933 /nfs/dbraw/zinc/42/79/33/1018427933.db2.gz ILIQZQUSGZEAOO-NZFPMDFQSA-N -1 0 314.338 -0.631 20 0 DBADRM C[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)CCN1C(=O)C(N)=O ZINC001604678652 1018428401 /nfs/dbraw/zinc/42/84/01/1018428401.db2.gz JOZDIAFWFUBCIU-IONNQARKSA-N -1 0 307.310 -0.549 20 0 DBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001604672798 1018428536 /nfs/dbraw/zinc/42/85/36/1018428536.db2.gz RPAHXEKEVIJZME-LPWJVIDDSA-N -1 0 312.366 -0.060 20 0 DBADRM COc1cc(CCC(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)on1 ZINC001604702699 1018434367 /nfs/dbraw/zinc/43/43/67/1018434367.db2.gz JIPCLTUBAAPHAV-SECBINFHSA-N -1 0 312.278 -0.156 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)[C@H]1CO ZINC001604742371 1018435903 /nfs/dbraw/zinc/43/59/03/1018435903.db2.gz WGUWAXFRWMAPGB-YYJSSNLHSA-N -1 0 312.366 -0.025 20 0 DBADRM CN(C[C@@H]1CCCOC1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604732800 1018436812 /nfs/dbraw/zinc/43/68/12/1018436812.db2.gz WXGRUDKKLYVJGD-QMMMGPOBSA-N -1 0 321.341 -0.884 20 0 DBADRM CC1CCN(C(=O)C(=O)OCC(=O)NCCC(=O)[O-])CC1 ZINC001604742331 1018437385 /nfs/dbraw/zinc/43/73/85/1018437385.db2.gz VJBDDQGLXONKPC-UHFFFAOYSA-N -1 0 300.311 -0.621 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])[C@H]1CO ZINC001604743714 1018439097 /nfs/dbraw/zinc/43/90/97/1018439097.db2.gz ARHBBWZKMDXFAL-ZJUUUORDSA-N -1 0 301.343 -0.620 20 0 DBADRM C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCS1(=O)=O ZINC001604745347 1018439310 /nfs/dbraw/zinc/43/93/10/1018439310.db2.gz MNRQOXPWSJBIKR-BBBLOLIVSA-N -1 0 305.352 -0.346 20 0 DBADRM C[C@@H]1CCN(Cc2cn(CC(=O)[O-])nn2)CCS1(=O)=O ZINC001604757554 1018439768 /nfs/dbraw/zinc/43/97/68/1018439768.db2.gz VXSLMIUCYZEOEG-SECBINFHSA-N -1 0 302.356 -0.628 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)[C@@H](C(N)=O)C1 ZINC001604758895 1018440321 /nfs/dbraw/zinc/44/03/21/1018440321.db2.gz BXVQZDMQKBHPHM-DOLQZWNJSA-N -1 0 304.368 -0.235 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001604758857 1018440506 /nfs/dbraw/zinc/44/05/06/1018440506.db2.gz DLHSLTVWRRONLC-UTLUCORTSA-N -1 0 315.395 -0.030 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC[C@H](O)[C@H]2C(=O)[O-])CC(C)(C)O1 ZINC001604768827 1018441536 /nfs/dbraw/zinc/44/15/36/1018441536.db2.gz IRCZCGOPVFMGSJ-MDZLAQPJSA-N -1 0 314.382 -0.078 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@H](O)CC(=O)[O-])c2ccccc2O1 ZINC001604769195 1018441966 /nfs/dbraw/zinc/44/19/66/1018441966.db2.gz RNDOEFQGAMRGAP-NXEZZACHSA-N -1 0 322.317 -0.248 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CCO1 ZINC001604768954 1018442086 /nfs/dbraw/zinc/44/20/86/1018442086.db2.gz NAIAYYKGMOTEIX-SECBINFHSA-N -1 0 324.337 -0.111 20 0 DBADRM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001604766692 1018442228 /nfs/dbraw/zinc/44/22/28/1018442228.db2.gz LELPPGBKLMPPSN-DYLAAIIWSA-N -1 0 320.349 -0.123 20 0 DBADRM C[C@H]1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C[C@@H](CO)O1 ZINC001604768611 1018442401 /nfs/dbraw/zinc/44/24/01/1018442401.db2.gz FUWJTYWVODGDAK-YFKTTZPYSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001604761386 1018442783 /nfs/dbraw/zinc/44/27/83/1018442783.db2.gz VLTRULKNVUAZIB-JXUBOQSCSA-N -1 0 304.368 -0.316 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C[C@H](C)C1O ZINC001604770204 1018443911 /nfs/dbraw/zinc/44/39/11/1018443911.db2.gz XSLXLAJMVTYKRA-UWVGGRQHSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001604772317 1018443944 /nfs/dbraw/zinc/44/39/44/1018443944.db2.gz XMXHRUYFIGVGEB-APPZFPTMSA-N -1 0 307.310 -0.691 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C[C@]1(C)CO ZINC001604769670 1018444044 /nfs/dbraw/zinc/44/40/44/1018444044.db2.gz OFWFUONRHFYVPM-JRPNMDOOSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H]1CCn2ncc(C(=O)N3CC(=O)N(C)C[C@@H]3C(=O)[O-])c2C1 ZINC001604769590 1018444112 /nfs/dbraw/zinc/44/41/12/1018444112.db2.gz VCMHSHAFPHMDSU-JOYOIKCWSA-N -1 0 320.349 -0.167 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C[C@@H](C)C1O ZINC001604770336 1018444436 /nfs/dbraw/zinc/44/44/36/1018444436.db2.gz SBEXCGPFWSYAMS-GMTAPVOTSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C(C)(C)C1 ZINC001604770009 1018444534 /nfs/dbraw/zinc/44/45/34/1018444534.db2.gz WHNIBHXVXGOVDA-AXFHLTTASA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C(C)(C)C1 ZINC001604770015 1018445111 /nfs/dbraw/zinc/44/51/11/1018445111.db2.gz WHNIBHXVXGOVDA-HBNTYKKESA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1CN(C(=O)CCCn2ccc(C(=O)[O-])n2)C[C@H](CO)O1 ZINC001604770371 1018445565 /nfs/dbraw/zinc/44/55/65/1018445565.db2.gz TYSWJURZOYMPJM-GHMZBOCLSA-N -1 0 311.338 -0.030 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC[S@](=O)C[C@@H](C)C1)C(=O)[O-] ZINC001604786651 1018446849 /nfs/dbraw/zinc/44/68/49/1018446849.db2.gz WBKNYCNHHZTFGW-QARYCYADSA-N -1 0 304.412 -0.088 20 0 DBADRM C[C@@H]1CN([C@H]2CCN(CCC(=O)[O-])C2=O)C[C@@]2(CCOC2)O1 ZINC001604785254 1018447098 /nfs/dbraw/zinc/44/70/98/1018447098.db2.gz FYHIOSNNHAXGBT-TYNCELHUSA-N -1 0 312.366 -0.058 20 0 DBADRM C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001604793359 1018449995 /nfs/dbraw/zinc/44/99/95/1018449995.db2.gz WUSQHUJCIDKIPO-SECBINFHSA-N -1 0 322.321 -0.204 20 0 DBADRM CN(CCn1cccn1)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001604792360 1018451051 /nfs/dbraw/zinc/45/10/51/1018451051.db2.gz WJROMZPQBBKCLY-UHFFFAOYSA-N -1 0 300.326 -0.186 20 0 DBADRM C[C@H]1CN(CCNS(=O)(=O)CC2(CC(=O)[O-])CC2)CCO1 ZINC001604795336 1018452064 /nfs/dbraw/zinc/45/20/64/1018452064.db2.gz ATVXTODPGVXYJU-NSHDSACASA-N -1 0 320.411 -0.119 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCS(=O)(=O)C[C@H](C)C1)C(=O)[O-] ZINC001604803675 1018453307 /nfs/dbraw/zinc/45/33/07/1018453307.db2.gz UGLCSGLSPLXGRN-RKDXNWHRSA-N -1 0 313.397 -0.597 20 0 DBADRM C[C@H]1CN(CCO)CCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001604798015 1018454022 /nfs/dbraw/zinc/45/40/22/1018454022.db2.gz PHVOYAYHYJABAQ-VIFPVBQESA-N -1 0 318.351 -0.335 20 0 DBADRM C[C@H]1CN(CCc2cn(CC(=O)[O-])nn2)CCS(=O)(=O)C1 ZINC001604797921 1018454615 /nfs/dbraw/zinc/45/46/15/1018454615.db2.gz NMDULDRFUWFYES-JTQLQIEISA-N -1 0 316.383 -0.728 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1C(=O)COCc1ocnc1C(=O)[O-] ZINC001604816755 1018455467 /nfs/dbraw/zinc/45/54/67/1018455467.db2.gz JEQYLVYGDPWYED-DTWKUNHWSA-N -1 0 314.294 -0.502 20 0 DBADRM C[C@H]1CN(c2ccc(C(=O)N[C@@H](CO)C(=O)[O-])cn2)C[C@H](C)O1 ZINC001604807834 1018455927 /nfs/dbraw/zinc/45/59/27/1018455927.db2.gz FWGGWSUKHZBIPN-NHCYSSNCSA-N -1 0 323.349 -0.130 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@@]1(C)CO ZINC001604808400 1018456885 /nfs/dbraw/zinc/45/68/85/1018456885.db2.gz VGDXNHZNFLPWRI-SKDRFNHKSA-N -1 0 317.367 -0.393 20 0 DBADRM C[C@H]1OCC[C@@]12CN(CN1C[C@@H](C(=O)[O-])OC1=O)CCO2 ZINC001604834680 1018458722 /nfs/dbraw/zinc/45/87/22/1018458722.db2.gz LUVWBXLEQBJGQZ-GBIKHYSHSA-N -1 0 300.311 -0.271 20 0 DBADRM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001604827796 1018459393 /nfs/dbraw/zinc/45/93/93/1018459393.db2.gz MTRQDHNYOYWDNA-XVMARJQXSA-N -1 0 316.339 -0.606 20 0 DBADRM C[C@H]1NC(=O)N(c2ccc(CC(=O)NCC(=O)[O-])cc2)C1=O ZINC001604833427 1018459727 /nfs/dbraw/zinc/45/97/27/1018459727.db2.gz XFFQDNPHQGIXJI-MRVPVSSYSA-N -1 0 305.290 -0.125 20 0 DBADRM C[C@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)C1CC(=O)C1 ZINC001604838400 1018460703 /nfs/dbraw/zinc/46/07/03/1018460703.db2.gz JWZGWNBVUPXUHB-GMSGAONNSA-N -1 0 314.363 -0.154 20 0 DBADRM C[C@@H]1SCC[C@H]1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001604842279 1018460899 /nfs/dbraw/zinc/46/08/99/1018460899.db2.gz QFEXEJRKEDDFRM-RGOKHQFPSA-N -1 0 316.379 -0.303 20 0 DBADRM C[C@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)CCC(N)=O ZINC001604839837 1018461304 /nfs/dbraw/zinc/46/13/04/1018461304.db2.gz ZRFUPNHPDJXBLK-SFYZADRCSA-N -1 0 317.367 -0.867 20 0 DBADRM C[C@H]1Oc2ccccc2N(CC(=O)N[C@@H](CO)C(=O)[O-])C1=O ZINC001604837505 1018461315 /nfs/dbraw/zinc/46/13/15/1018461315.db2.gz LAHZWUZIFQDUPS-BDAKNGLRSA-N -1 0 308.290 -0.638 20 0 DBADRM CN1C(=O)CN(NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1=O ZINC001604840830 1018461841 /nfs/dbraw/zinc/46/18/41/1018461841.db2.gz VGVBDRXZLGYEJX-UHFFFAOYSA-N -1 0 317.265 -0.889 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C)[C@@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001604838179 1018462032 /nfs/dbraw/zinc/46/20/32/1018462032.db2.gz RCSDMNVZMQROJE-YTWAJWBKSA-N -1 0 314.338 -0.677 20 0 DBADRM Cc1ncsc1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500795350 1018462260 /nfs/dbraw/zinc/46/22/60/1018462260.db2.gz HFNLDGXNTPXFJO-UHFFFAOYSA-N -1 0 324.366 -0.748 20 0 DBADRM C/C=C\C[C@H]1CCCN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001604852300 1018464270 /nfs/dbraw/zinc/46/42/70/1018464270.db2.gz PFEVOAZQAPQXKH-QUCGXOGASA-N -1 0 310.350 -0.151 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)O[C@H](CC(=O)[O-])C(=O)OC)C1 ZINC001604852710 1018466482 /nfs/dbraw/zinc/46/64/82/1018466482.db2.gz IDAIAJIEJPLZSO-RKDXNWHRSA-N -1 0 301.295 -0.196 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)O[C@H](CC(=O)[O-])C(=O)OC)C1 ZINC001604852709 1018466631 /nfs/dbraw/zinc/46/66/31/1018466631.db2.gz IDAIAJIEJPLZSO-DTWKUNHWSA-N -1 0 301.295 -0.196 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001604859038 1018468119 /nfs/dbraw/zinc/46/81/19/1018468119.db2.gz CSWJHCNZRHSVRQ-GARJFASQSA-N -1 0 313.354 -0.526 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)NCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001604860157 1018469364 /nfs/dbraw/zinc/46/93/64/1018469364.db2.gz SDNPVSCSAZPXHH-SECBINFHSA-N -1 0 323.353 -0.358 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1C[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001604868366 1018471134 /nfs/dbraw/zinc/47/11/34/1018471134.db2.gz IOIFXQISNRPQGO-DJLDLDEBSA-N -1 0 301.295 -0.482 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC001604881489 1018475516 /nfs/dbraw/zinc/47/55/16/1018475516.db2.gz KRLLOZACXBJIGV-DTWKUNHWSA-N -1 0 300.311 -0.493 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC001604880738 1018475535 /nfs/dbraw/zinc/47/55/35/1018475535.db2.gz BRFVFQMYWJKTSY-SCZZXKLOSA-N -1 0 314.338 -0.247 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)NCc1cn(CCOC)c(=O)[nH]c1=O ZINC001604878877 1018475917 /nfs/dbraw/zinc/47/59/17/1018475917.db2.gz VPLXNHKRNQJDKN-VIFPVBQESA-N -1 0 313.310 -0.678 20 0 DBADRM COc1ccccc1[C@@H](CO)NCCS(=O)(=O)CC(=O)[O-] ZINC001604883432 1018477434 /nfs/dbraw/zinc/47/74/34/1018477434.db2.gz KELAMPJGFNKJIW-LLVKDONJSA-N -1 0 317.363 -0.182 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)nc1 ZINC001604900855 1018480251 /nfs/dbraw/zinc/48/02/51/1018480251.db2.gz WVBZZKQZTNLYOO-WPRPVWTQSA-N -1 0 322.321 -0.007 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)nc1 ZINC001604900876 1018481475 /nfs/dbraw/zinc/48/14/75/1018481475.db2.gz XBWTUZRCEBWNLN-RKDXNWHRSA-N -1 0 322.321 -0.007 20 0 DBADRM COC(=O)C1(C(=O)Cn2ccc(C)c(-c3nnn[n-]3)c2=O)CC1 ZINC001604915801 1018483169 /nfs/dbraw/zinc/48/31/69/1018483169.db2.gz HEYARMOBMITBPI-UHFFFAOYSA-N -1 0 317.305 -0.141 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)c1cncc(C(=O)[O-])c1)C(N)=O ZINC001604914477 1018483497 /nfs/dbraw/zinc/48/34/97/1018483497.db2.gz ODOAWIOXNDOGTQ-LLVKDONJSA-N -1 0 301.324 -0.288 20 0 DBADRM CC[C@](C)(NS(=O)(=O)CCn1nc(C)oc1=O)C(=O)[O-] ZINC001604915539 1018484629 /nfs/dbraw/zinc/48/46/29/1018484629.db2.gz WUWBJXBFVFBIHU-JTQLQIEISA-N -1 0 307.328 -0.683 20 0 DBADRM COC(=O)C1(NS(=O)(=O)c2cccnc2-c2nnn[n-]2)CC1 ZINC001604918999 1018487636 /nfs/dbraw/zinc/48/76/36/1018487636.db2.gz QTSIHFPQFFKYMX-UHFFFAOYSA-N -1 0 324.322 -0.754 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001604920948 1018487800 /nfs/dbraw/zinc/48/78/00/1018487800.db2.gz HLRXCQSPNSGBBI-KYZUINATSA-N -1 0 305.356 -0.960 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC001604927198 1018488983 /nfs/dbraw/zinc/48/89/83/1018488983.db2.gz GGHUGNBPZKAUKN-NSCUHMNNSA-N -1 0 314.319 -0.249 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN(C)[C@]1(CO)CCOC1)C(=O)[O-] ZINC001604928403 1018490260 /nfs/dbraw/zinc/49/02/60/1018490260.db2.gz AWGNYHJCROWXTQ-JKOKRWQUSA-N -1 0 302.371 -0.315 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC001604927110 1018490306 /nfs/dbraw/zinc/49/03/06/1018490306.db2.gz ABGJHOPSLSZWHS-GMTAPVOTSA-N -1 0 318.395 -0.115 20 0 DBADRM COC(=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604939066 1018493399 /nfs/dbraw/zinc/49/33/99/1018493399.db2.gz ZULJAVUNGUQWDB-UHFFFAOYSA-N -1 0 301.284 -0.699 20 0 DBADRM CS(=O)(=O)c1ccc(CNC(=O)COCC(=O)[O-])cn1 ZINC001604936013 1018493852 /nfs/dbraw/zinc/49/38/52/1018493852.db2.gz BEAFGSJCASGTRB-UHFFFAOYSA-N -1 0 302.308 -0.798 20 0 DBADRM CS(C)(=O)=NCCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604948343 1018495488 /nfs/dbraw/zinc/49/54/88/1018495488.db2.gz IQAGCPUHGNTRHF-SECBINFHSA-N -1 0 319.383 -0.847 20 0 DBADRM CSC1(CNC(=O)C(=O)NCCC(=O)[O-])CCOCC1 ZINC001604956458 1018497225 /nfs/dbraw/zinc/49/72/25/1018497225.db2.gz VBBCQKRIWSWDKL-UHFFFAOYSA-N -1 0 304.368 -0.394 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001604963450 1018499917 /nfs/dbraw/zinc/49/99/17/1018499917.db2.gz ONKPYTGUNISPHK-CVJBHZAOSA-N -1 0 315.417 -0.009 20 0 DBADRM CSc1nc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n[nH]1 ZINC001604979223 1018502044 /nfs/dbraw/zinc/50/20/44/1018502044.db2.gz SPPOYQPUKXTGDG-ZCFIWIBFSA-N -1 0 313.339 -0.212 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc2c1CCNC2=O)C(=O)[O-] ZINC001604983255 1018502081 /nfs/dbraw/zinc/50/20/81/1018502081.db2.gz RTKPFZJQBOPTOM-SSDOTTSWSA-N -1 0 305.290 -0.500 20 0 DBADRM C[C@@H](NC(=O)Nc1ccc2c(c1)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC001604988883 1018503148 /nfs/dbraw/zinc/50/31/48/1018503148.db2.gz GTUSNFREPWJKBJ-SSDOTTSWSA-N -1 0 320.305 -0.168 20 0 DBADRM C[C@@H](NC(=O)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F)C(=O)[O-] ZINC001604983229 1018503631 /nfs/dbraw/zinc/50/36/31/1018503631.db2.gz QZCNXGLXAUNDNZ-IYSWYEEDSA-N -1 0 322.243 -0.271 20 0 DBADRM CO[C@H](C)C(=O)NCCN(C)c1ccc(-c2nn[nH]n2)nc1 ZINC001604999502 1018504210 /nfs/dbraw/zinc/50/42/10/1018504210.db2.gz FJOMZMMUVFVUGS-SECBINFHSA-N -1 0 305.342 -0.151 20 0 DBADRM C[C@@H]1COCCN1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605012041 1018505503 /nfs/dbraw/zinc/50/55/03/1018505503.db2.gz PIMUXRJVUXVBHR-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CCC(CC)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605011811 1018506458 /nfs/dbraw/zinc/50/64/58/1018506458.db2.gz URIUMZBCMHVFRE-MNOVXSKESA-N -1 0 312.366 -0.167 20 0 DBADRM CO[C@@H](CC(C)C)Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC001605006494 1018507436 /nfs/dbraw/zinc/50/74/36/1018507436.db2.gz FQMPQRDSMREXBX-VIFPVBQESA-N -1 0 308.342 -0.212 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]c1n[nH]c(C)c1-c1nn[nH]n1 ZINC001605005690 1018507959 /nfs/dbraw/zinc/50/79/59/1018507959.db2.gz QCVFXXYZEAEBKZ-RXMQYKEDSA-N -1 0 301.332 -0.325 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)Nc1cnn(CCOC)c1)C(=O)[O-] ZINC001605024351 1018508812 /nfs/dbraw/zinc/50/88/12/1018508812.db2.gz VQTGKDZREZTRKE-VIFPVBQESA-N -1 0 312.326 -0.305 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1COC(=O)N1)Nc1ccnc(C(=O)[O-])n1 ZINC001605026627 1018509423 /nfs/dbraw/zinc/50/94/23/1018509423.db2.gz FNAMSAPQFYPISC-HTQZYQBOSA-N -1 0 323.309 -0.988 20 0 DBADRM CC[C@H](CCO)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001605022387 1018509472 /nfs/dbraw/zinc/50/94/72/1018509472.db2.gz NUZCICWHORWKSB-LPEHRKFASA-N -1 0 303.359 -0.328 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 ZINC001605021083 1018509549 /nfs/dbraw/zinc/50/95/49/1018509549.db2.gz NWRMAYRGTOBKIY-LNLATYFQSA-N -1 0 305.352 -0.631 20 0 DBADRM CO[C@]1(C)CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001605015918 1018509770 /nfs/dbraw/zinc/50/97/70/1018509770.db2.gz RJOLMCWCYMTSPG-GFCCVEGCSA-N -1 0 306.330 -0.514 20 0 DBADRM CC[C@@H](CN1CCOCC1)NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001605024965 1018510320 /nfs/dbraw/zinc/51/03/20/1018510320.db2.gz OIVCXGPWPAATSR-JTQLQIEISA-N -1 0 311.342 -0.797 20 0 DBADRM CO[C@H]1CCCC[C@@H]1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001605029087 1018510763 /nfs/dbraw/zinc/51/07/63/1018510763.db2.gz BCLNXFCTRVMIQM-UWVGGRQHSA-N -1 0 320.357 -0.220 20 0 DBADRM CO[C@H](Cn1cnc2ncc(-c3nnn[n-]3)c(=O)n21)C1CCC1 ZINC001605012692 1018511140 /nfs/dbraw/zinc/51/11/40/1018511140.db2.gz QSNRNHDLUDSTRE-SNVBAGLBSA-N -1 0 316.325 -0.114 20 0 DBADRM C[C@H](CO)N(C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605041097 1018515522 /nfs/dbraw/zinc/51/55/22/1018515522.db2.gz PGQOGYBARLQCLO-ZJUUUORDSA-N -1 0 301.343 -0.526 20 0 DBADRM CC[C@@H](CNS(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)[O-] ZINC001605040724 1018515673 /nfs/dbraw/zinc/51/56/73/1018515673.db2.gz XVFCZKAGJCCHEW-SKLCBMLGSA-N -1 0 301.390 -0.494 20 0 DBADRM COC[C@@H](C)C(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001605045355 1018515799 /nfs/dbraw/zinc/51/57/99/1018515799.db2.gz QDIVISPVLLTHEX-SECBINFHSA-N -1 0 320.357 -0.769 20 0 DBADRM COCC(=O)N[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001605039774 1018516068 /nfs/dbraw/zinc/51/60/68/1018516068.db2.gz UUIACQBGNCFNAS-BDAKNGLRSA-N -1 0 318.341 -0.614 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cccc(N2CCC2=O)c1)C(=O)[O-] ZINC001605041145 1018516381 /nfs/dbraw/zinc/51/63/81/1018516381.db2.gz UELVECYHUVUCGI-QMMMGPOBSA-N -1 0 305.290 -0.049 20 0 DBADRM CC[C@](COC)(NC(=O)[C@@H]1CN(C(C)=O)CCO1)C(=O)[O-] ZINC001605046839 1018518166 /nfs/dbraw/zinc/51/81/66/1018518166.db2.gz GPGIHBBNSUAHSV-GXFFZTMASA-N -1 0 302.327 -0.770 20 0 DBADRM CC[C@](COC)(NC(=O)[C@H]1CCN=C2C1=NNN2C)C(=O)[O-] ZINC001605048354 1018518629 /nfs/dbraw/zinc/51/86/29/1018518629.db2.gz LCWZQLWTZMJPST-ISVAXAHUSA-N -1 0 311.342 -0.793 20 0 DBADRM CC[C@@H](COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC001605046304 1018518781 /nfs/dbraw/zinc/51/87/81/1018518781.db2.gz CIQMCEBLYDEQNA-UDIARPCQSA-N -1 0 310.306 -0.249 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001605065865 1018519615 /nfs/dbraw/zinc/51/96/15/1018519615.db2.gz RVRFQXSIQAFAPP-JTQLQIEISA-N -1 0 320.305 -0.814 20 0 DBADRM COC[C@@H]1CCCCN1c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001605072853 1018520597 /nfs/dbraw/zinc/52/05/97/1018520597.db2.gz QNSCVAJWSQZJPQ-QMMMGPOBSA-N -1 0 321.341 -0.741 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@@H](CO)Nc1ncc(C(=O)[O-])cn1 ZINC001605068679 1018521180 /nfs/dbraw/zinc/52/11/80/1018521180.db2.gz LICYNASRZBAGHB-DTWKUNHWSA-N -1 0 300.290 -0.188 20 0 DBADRM COCC1(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001605067019 1018521934 /nfs/dbraw/zinc/52/19/34/1018521934.db2.gz YVNHALLNKHMOHW-QMMMGPOBSA-N -1 0 306.330 -0.438 20 0 DBADRM COC[C@@]1(C)CN(Cn2cccc(-c3nnn[n-]3)c2=O)CCO1 ZINC001605066936 1018522204 /nfs/dbraw/zinc/52/22/04/1018522204.db2.gz RVZPYIFBUUYMQF-CQSZACIVSA-N -1 0 320.353 -0.277 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])cccc1N(C)C ZINC001605085088 1018523211 /nfs/dbraw/zinc/52/32/11/1018523211.db2.gz VTYUTFNFTGTNBO-OAHLLOKOSA-N -1 0 323.349 -0.049 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])nn1 ZINC001605112836 1018530649 /nfs/dbraw/zinc/53/06/49/1018530649.db2.gz BYDDACKCHJQOND-NXEZZACHSA-N -1 0 312.326 -0.635 20 0 DBADRM CC[C@@H](OC)C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1O ZINC001605123154 1018531474 /nfs/dbraw/zinc/53/14/74/1018531474.db2.gz UGTYXORRGCLNSW-GMTAPVOTSA-N -1 0 324.337 -0.735 20 0 DBADRM COCCOC[C@@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001605110387 1018531739 /nfs/dbraw/zinc/53/17/39/1018531739.db2.gz YQPJTOJQMVMFGM-RKDXNWHRSA-N -1 0 324.345 -0.813 20 0 DBADRM COCCOC[C@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001605110385 1018533227 /nfs/dbraw/zinc/53/32/27/1018533227.db2.gz YQPJTOJQMVMFGM-DTWKUNHWSA-N -1 0 324.345 -0.813 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])nn1 ZINC001605112839 1018533529 /nfs/dbraw/zinc/53/35/29/1018533529.db2.gz BYDDACKCHJQOND-ZJUUUORDSA-N -1 0 312.326 -0.635 20 0 DBADRM COCCOC[C@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001605110386 1018534021 /nfs/dbraw/zinc/53/40/21/1018534021.db2.gz YQPJTOJQMVMFGM-IUCAKERBSA-N -1 0 324.345 -0.813 20 0 DBADRM COCc1nc(Cn2cc(C)cc(-c3nnn[n-]3)c2=O)no1 ZINC001605136573 1018535205 /nfs/dbraw/zinc/53/52/05/1018535205.db2.gz FJOFRKQDAKKGRL-UHFFFAOYSA-N -1 0 303.282 -0.085 20 0 DBADRM CC[C@@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])C1=O ZINC001605134574 1018535381 /nfs/dbraw/zinc/53/53/81/1018535381.db2.gz BGRZRZNVODGNGH-BZTNIEFMSA-N -1 0 313.310 -0.935 20 0 DBADRM CCCC[C@H](NC(=O)C1(CS(C)(=O)=O)COC1)C(=O)[O-] ZINC001605240983 1018550549 /nfs/dbraw/zinc/55/05/49/1018550549.db2.gz OUIUFNHVRPSGOE-VIFPVBQESA-N -1 0 307.368 -0.193 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)O[C@@H](C)C(=O)C(=O)[O-])C1=O ZINC001605136155 1018536216 /nfs/dbraw/zinc/53/62/16/1018536216.db2.gz XRURYVZRCGJXEG-QTTZVWFDSA-N -1 0 300.267 -0.708 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C(=O)[O-])nn2)C1=O ZINC001605135332 1018536398 /nfs/dbraw/zinc/53/63/98/1018536398.db2.gz LWYROGZJGMFFBY-ZDUSSCGKSA-N -1 0 321.293 -0.166 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)NC[C@H](F)C(=O)[O-])C1=O ZINC001605139746 1018536795 /nfs/dbraw/zinc/53/67/95/1018536795.db2.gz AQDBUCFICPZRIP-ZETCQYMHSA-N -1 0 303.290 -0.364 20 0 DBADRM CON(CC(C)(C)C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001605142785 1018537375 /nfs/dbraw/zinc/53/73/75/1018537375.db2.gz UGSRSRDAENIHFH-UHFFFAOYSA-N -1 0 323.357 -0.322 20 0 DBADRM CC[C@H]1CC[C@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)O1 ZINC001605154715 1018539252 /nfs/dbraw/zinc/53/92/52/1018539252.db2.gz POTJTQWCONVOPC-MPXOCVNLSA-N -1 0 319.379 -0.052 20 0 DBADRM CCC1(Cn2cc(C(=O)N[C@H](CF)C(=O)[O-])nn2)COC1 ZINC001605145693 1018539550 /nfs/dbraw/zinc/53/95/50/1018539550.db2.gz PJSUBSUXAWHSIU-MRVPVSSYSA-N -1 0 300.290 -0.143 20 0 DBADRM CC[C@@H]1CC[C@@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)O1 ZINC001605154714 1018540656 /nfs/dbraw/zinc/54/06/56/1018540656.db2.gz POTJTQWCONVOPC-KEPMVKOISA-N -1 0 319.379 -0.052 20 0 DBADRM CC[C@@H]1C(=O)NCCN1Cn1nc(C(=O)OC)cc1C(=O)[O-] ZINC001605150053 1018540832 /nfs/dbraw/zinc/54/08/32/1018540832.db2.gz IWTRTVGKIDNXOP-SECBINFHSA-N -1 0 310.310 -0.464 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)C1 ZINC001605148951 1018540971 /nfs/dbraw/zinc/54/09/71/1018540971.db2.gz UHINYVMKTDVXOZ-AWEZNQCLSA-N -1 0 324.337 -0.412 20 0 DBADRM CC[C@@H]1CN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CCO1 ZINC001605174567 1018541482 /nfs/dbraw/zinc/54/14/82/1018541482.db2.gz VHNPYUKPAYBMJF-LPEHRKFASA-N -1 0 301.343 -0.215 20 0 DBADRM Cc1cc(COCC(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)on1 ZINC001605170844 1018542034 /nfs/dbraw/zinc/54/20/34/1018542034.db2.gz GVYULVMPMPTNGL-JTQLQIEISA-N -1 0 312.278 -0.272 20 0 DBADRM CCCC(=O)N1CCC[C@@H](C(=O)NC[C@@H](O)CC(=O)[O-])C1 ZINC001605188187 1018542104 /nfs/dbraw/zinc/54/21/04/1018542104.db2.gz LNLLSNQSEVIFRF-MNOVXSKESA-N -1 0 300.355 -0.023 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)[nH]n1 ZINC001605172484 1018542119 /nfs/dbraw/zinc/54/21/19/1018542119.db2.gz JPVJTVAQGRJETR-GZMMTYOYSA-N -1 0 308.338 -0.096 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C[C@H](CC)O1 ZINC001605171558 1018542363 /nfs/dbraw/zinc/54/23/63/1018542363.db2.gz VYGKEXMSKFUWFW-AOOOYVTPSA-N -1 0 314.338 -0.940 20 0 DBADRM CC[C@@H](C(=O)NC[C@@H](O)CC(=O)[O-])N1CCO[C@H](CC)C1 ZINC001605171829 1018542717 /nfs/dbraw/zinc/54/27/17/1018542717.db2.gz BMFCTMUSNOTFTE-TUAOUCFPSA-N -1 0 302.371 -0.172 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCO1 ZINC001605172221 1018543402 /nfs/dbraw/zinc/54/34/02/1018543402.db2.gz ZNACAAVPXUYISG-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM COc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)ccc1-c1nn[nH]n1 ZINC001605196655 1018544958 /nfs/dbraw/zinc/54/49/58/1018544958.db2.gz JLUIGXFQSLLRNG-UHFFFAOYSA-N -1 0 316.281 -0.371 20 0 DBADRM CCC[C@@H](C(=O)N[C@@](CC)(COC)C(=O)[O-])S(N)(=O)=O ZINC001605192027 1018545139 /nfs/dbraw/zinc/54/51/39/1018545139.db2.gz HOLIYQGZBZBXED-KWQFWETISA-N -1 0 310.372 -0.560 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)N[C@H](C)CC(=O)[O-])C2=O)n(C)n1 ZINC001605194362 1018545210 /nfs/dbraw/zinc/54/52/10/1018545210.db2.gz CQYIOFWYUBECBE-SCZZXKLOSA-N -1 0 323.353 -0.004 20 0 DBADRM Cc1cc(OCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])no1 ZINC001605216677 1018547579 /nfs/dbraw/zinc/54/75/79/1018547579.db2.gz LQLGUVSUMZWEKJ-QMMMGPOBSA-N -1 0 318.307 -0.928 20 0 DBADRM CCC[C@](C)(NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC001605197373 1018548402 /nfs/dbraw/zinc/54/84/02/1018548402.db2.gz FVAZHIOYUDSVKE-LBPRGKRZSA-N -1 0 321.399 -0.339 20 0 DBADRM CCC/C=C/[C@H](O)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001605229727 1018549031 /nfs/dbraw/zinc/54/90/31/1018549031.db2.gz MBFDYFMQIAUKBE-IKVRBHFSSA-N -1 0 319.379 -0.292 20 0 DBADRM CCCC[C@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001605242275 1018549264 /nfs/dbraw/zinc/54/92/64/1018549264.db2.gz YGPWGHUYYVUUJE-MNOVXSKESA-N -1 0 320.411 -0.135 20 0 DBADRM CCC[C@H](O)[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001605216750 1018549461 /nfs/dbraw/zinc/54/94/61/1018549461.db2.gz AAIULNAPPXOMQW-RYUDHWBXSA-N -1 0 324.333 -0.039 20 0 DBADRM CCCC[C@@H](NC(=O)C1(CS(C)(=O)=O)COC1)C(=O)[O-] ZINC001605240981 1018549989 /nfs/dbraw/zinc/54/99/89/1018549989.db2.gz OUIUFNHVRPSGOE-SECBINFHSA-N -1 0 307.368 -0.193 20 0 DBADRM CCC[C@@H](O)[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001605216752 1018550693 /nfs/dbraw/zinc/55/06/93/1018550693.db2.gz AAIULNAPPXOMQW-VXGBXAGGSA-N -1 0 324.333 -0.039 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001605245553 1018551439 /nfs/dbraw/zinc/55/14/39/1018551439.db2.gz DAHBHVZVIXJABO-QWRGUYRKSA-N -1 0 315.370 -0.102 20 0 DBADRM COc1cc(OC)nc(NCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001605238830 1018551522 /nfs/dbraw/zinc/55/15/22/1018551522.db2.gz IGCWWRGGHCUDEU-UHFFFAOYSA-N -1 0 318.301 -0.623 20 0 DBADRM Cc1cc(S(N)(=O)=O)cc(C(=O)OCC(=O)C(=O)[O-])c1C ZINC001605225046 1018551578 /nfs/dbraw/zinc/55/15/78/1018551578.db2.gz LXXNABBTRWMWGP-UHFFFAOYSA-N -1 0 315.303 -0.239 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001605271677 1018552925 /nfs/dbraw/zinc/55/29/25/1018552925.db2.gz BNYSRBDCUGKKKF-GHMZBOCLSA-N -1 0 321.395 -0.115 20 0 DBADRM CCCN(C(=O)c1nc2ncc(CCO)cn2n1)[C@H](C)C(=O)[O-] ZINC001605302227 1018553431 /nfs/dbraw/zinc/55/34/31/1018553431.db2.gz KWVQJZANROFDSQ-SECBINFHSA-N -1 0 321.337 -0.016 20 0 DBADRM CCCCOC(=O)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001605281677 1018553462 /nfs/dbraw/zinc/55/34/62/1018553462.db2.gz KNKDFCKJHHSPKN-JTQLQIEISA-N -1 0 314.338 -0.231 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N(CC(=O)[O-])CC(=O)OC ZINC001605287667 1018553582 /nfs/dbraw/zinc/55/35/82/1018553582.db2.gz URRVUYVLOPAGIB-UHFFFAOYSA-N -1 0 309.340 -0.713 20 0 DBADRM CCCNC(=O)[C@H](C)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001605326478 1018557402 /nfs/dbraw/zinc/55/74/02/1018557402.db2.gz WREFWFIPSDYFMO-IVZWLZJFSA-N -1 0 301.343 -0.310 20 0 DBADRM CCCN1C[C@H](C(=O)N[C@H](CC(=O)[O-])C(=O)OC)CC1=O ZINC001605322730 1018557423 /nfs/dbraw/zinc/55/74/23/1018557423.db2.gz VAHLBXFXSROLFC-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM CCCN1C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)CC1=O ZINC001605322729 1018557819 /nfs/dbraw/zinc/55/78/19/1018557819.db2.gz VAHLBXFXSROLFC-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM CCCN1C[C@H](C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])CC1=O ZINC001605322878 1018557978 /nfs/dbraw/zinc/55/79/78/1018557978.db2.gz WPGQNJMDUFGFIG-GHMZBOCLSA-N -1 0 308.338 -0.289 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001605330426 1018558282 /nfs/dbraw/zinc/55/82/82/1018558282.db2.gz CVDAZPBJJONTQG-MNOVXSKESA-N -1 0 315.370 -0.855 20 0 DBADRM CCCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001605326392 1018558400 /nfs/dbraw/zinc/55/84/00/1018558400.db2.gz WCGSJMPMOSUODK-MRVPVSSYSA-N -1 0 324.337 -0.009 20 0 DBADRM COc1nc(C)cc(NCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001605344509 1018558591 /nfs/dbraw/zinc/55/85/91/1018558591.db2.gz WIEPKSUMMKAXLA-UHFFFAOYSA-N -1 0 302.302 -0.323 20 0 DBADRM COc1ccsc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001605339629 1018559115 /nfs/dbraw/zinc/55/91/15/1018559115.db2.gz CWUJIUQUKRWTCH-UHFFFAOYSA-N -1 0 320.338 -0.042 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)CCS(=O)(=O)N(C)C ZINC001605310374 1018559620 /nfs/dbraw/zinc/55/96/20/1018559620.db2.gz WYRHCALJISOBHH-UHFFFAOYSA-N -1 0 316.401 -0.996 20 0 DBADRM CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001605353111 1018563112 /nfs/dbraw/zinc/56/31/12/1018563112.db2.gz ZPADLVIUUIDIRX-BDAKNGLRSA-N -1 0 323.382 -0.154 20 0 DBADRM CCC[C@@H](NC(=O)C1CCN(S(=O)(=O)NC)CC1)C(=O)[O-] ZINC001605350043 1018563577 /nfs/dbraw/zinc/56/35/77/1018563577.db2.gz HVLMWVCTJFKXKJ-SNVBAGLBSA-N -1 0 321.399 -0.468 20 0 DBADRM Cc1cccnc1S(=O)(=O)CCS(=O)(=O)CC(=O)[O-] ZINC001605360569 1018567668 /nfs/dbraw/zinc/56/76/68/1018567668.db2.gz RXADEBXRPHDFRP-UHFFFAOYSA-N -1 0 307.349 -0.337 20 0 DBADRM CCC[C@H](NS(=O)(=O)CCn1nc(C)oc1=O)C(=O)[O-] ZINC001605360428 1018568915 /nfs/dbraw/zinc/56/89/15/1018568915.db2.gz JFWWITLZCKOZIT-QMMMGPOBSA-N -1 0 307.328 -0.683 20 0 DBADRM Cc1nc([C@H](C)NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])no1 ZINC001605397586 1018570389 /nfs/dbraw/zinc/57/03/89/1018570389.db2.gz RAZIGUCPDGNBDZ-XPUUQOCRSA-N -1 0 304.328 -0.178 20 0 DBADRM CCN(C(=O)C(N)=O)[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001605393170 1018570635 /nfs/dbraw/zinc/57/06/35/1018570635.db2.gz BLJGPLHZFQRBRE-SECBINFHSA-N -1 0 307.310 -0.913 20 0 DBADRM Cc1nc(CN(C)C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)no1 ZINC001605403893 1018573705 /nfs/dbraw/zinc/57/37/05/1018573705.db2.gz UCEVANUQTCKQSK-UHFFFAOYSA-N -1 0 322.281 -0.744 20 0 DBADRM Cc1nc(NC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)nn1C ZINC001605411138 1018574195 /nfs/dbraw/zinc/57/41/95/1018574195.db2.gz WQZXOVKAJHUUHP-SECBINFHSA-N -1 0 324.341 -0.289 20 0 DBADRM C[C@@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC001605409857 1018575113 /nfs/dbraw/zinc/57/51/13/1018575113.db2.gz LUWAMFRARSHQIB-RKDXNWHRSA-N -1 0 319.369 -0.111 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001605405848 1018575258 /nfs/dbraw/zinc/57/52/58/1018575258.db2.gz FPAKPLQUARRQAD-UHFFFAOYSA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1cnccn1 ZINC001605403206 1018575745 /nfs/dbraw/zinc/57/57/45/1018575745.db2.gz FNIYIQVNUZJSGB-SSDOTTSWSA-N -1 0 300.286 -0.874 20 0 DBADRM CCN(CC(=O)N1CCC(C(=O)[O-])CC1)Cc1cn(C)nn1 ZINC001605411645 1018575800 /nfs/dbraw/zinc/57/58/00/1018575800.db2.gz UXDBWGXCFDJOHQ-UHFFFAOYSA-N -1 0 309.370 -0.040 20 0 DBADRM Cc1nc(NC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)nn1C ZINC001605411139 1018575935 /nfs/dbraw/zinc/57/59/35/1018575935.db2.gz WQZXOVKAJHUUHP-VIFPVBQESA-N -1 0 324.341 -0.289 20 0 DBADRM CCN(CC(=O)NC)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001605414085 1018576083 /nfs/dbraw/zinc/57/60/83/1018576083.db2.gz WZBJTIURPXUMHC-UHFFFAOYSA-N -1 0 303.340 -0.520 20 0 DBADRM CCN(C)C(=O)CNC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001605406626 1018576209 /nfs/dbraw/zinc/57/62/09/1018576209.db2.gz BXMPMMHPPJZUCX-SECBINFHSA-N -1 0 303.384 -0.076 20 0 DBADRM CCN([C@@H]1CCNC1=O)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001605411333 1018576569 /nfs/dbraw/zinc/57/65/69/1018576569.db2.gz FQDHPEUUQHRTER-SNVBAGLBSA-N -1 0 319.383 -0.762 20 0 DBADRM Cc1nc(CS(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)no1 ZINC001605408003 1018576808 /nfs/dbraw/zinc/57/68/08/1018576808.db2.gz AUJQNTSTKKLVLG-KWQFWETISA-N -1 0 317.323 -0.759 20 0 DBADRM CCN([C@H]1CCNC1=O)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001605411625 1018576947 /nfs/dbraw/zinc/57/69/47/1018576947.db2.gz SXQHXGVOBUQWMB-VIFPVBQESA-N -1 0 315.351 -0.378 20 0 DBADRM CCN(CC(C)(C)O)C(=O)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC001605418321 1018577629 /nfs/dbraw/zinc/57/76/29/1018577629.db2.gz XBLAEPNNXHIUIX-FEUHOPSXSA-N -1 0 312.366 -0.025 20 0 DBADRM Cc1nccnc1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605424174 1018578210 /nfs/dbraw/zinc/57/82/10/1018578210.db2.gz NMRFETZKUHSAOT-SNVBAGLBSA-N -1 0 306.322 -0.019 20 0 DBADRM CCN(CC)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001605424539 1018578228 /nfs/dbraw/zinc/57/82/28/1018578228.db2.gz JMDYDIIBIYSEMS-UHFFFAOYSA-N -1 0 317.367 -0.130 20 0 DBADRM CCN(CC)C(=O)CCC(=O)N(CC(=O)[O-])CC(=O)OC ZINC001605422228 1018578392 /nfs/dbraw/zinc/57/83/92/1018578392.db2.gz LICJDVGYUVQRKF-UHFFFAOYSA-N -1 0 302.327 -0.279 20 0 DBADRM CCN(CC)C(=O)Cn1nnnc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001605424921 1018578850 /nfs/dbraw/zinc/57/88/50/1018578850.db2.gz VOKNPTSHSNHJLL-JZYVYDRUSA-N -1 0 308.342 -0.692 20 0 DBADRM Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)C2 ZINC001605420395 1018579127 /nfs/dbraw/zinc/57/91/27/1018579127.db2.gz IADCQXAELMASPX-SNVBAGLBSA-N -1 0 316.321 -0.252 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)c1cc(C(=O)[O-])nn1C)CC2 ZINC001605419962 1018579237 /nfs/dbraw/zinc/57/92/37/1018579237.db2.gz GDWPJVLHVVXFBW-MRVPVSSYSA-N -1 0 304.310 -0.237 20 0 DBADRM Cc1nc[nH]c(=O)c1CCC(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001605421532 1018579265 /nfs/dbraw/zinc/57/92/65/1018579265.db2.gz XXQJBJZXVIIMFA-SNVBAGLBSA-N -1 0 323.305 -0.348 20 0 DBADRM Cc1ncc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC001605420888 1018579739 /nfs/dbraw/zinc/57/97/39/1018579739.db2.gz WSDCASMBNLTXPH-SECBINFHSA-N -1 0 313.335 -0.620 20 0 DBADRM C[C@@H]1C[C@H]1NC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001605426833 1018580064 /nfs/dbraw/zinc/58/00/64/1018580064.db2.gz YVXGHWPXLBVONA-HTRCEHHLSA-N -1 0 305.298 -0.956 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)c1C ZINC001605434636 1018581767 /nfs/dbraw/zinc/58/17/67/1018581767.db2.gz ZOHPZIMARPMWRQ-SECBINFHSA-N -1 0 323.305 -0.761 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)CC(C)(C)O ZINC001605436131 1018583217 /nfs/dbraw/zinc/58/32/17/1018583217.db2.gz QQPRVXDDZGRUMY-MRVPVSSYSA-N -1 0 320.357 -0.844 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001605432380 1018583916 /nfs/dbraw/zinc/58/39/16/1018583916.db2.gz BZZIUKDKVUBDFG-UHFFFAOYSA-N -1 0 322.383 -0.904 20 0 DBADRM CCN(CCC(=O)NC)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001605438911 1018584304 /nfs/dbraw/zinc/58/43/04/1018584304.db2.gz VJSLDZCDZZPTQV-UHFFFAOYSA-N -1 0 304.328 -0.745 20 0 DBADRM CCN(CCC(=O)OC)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001605443536 1018585498 /nfs/dbraw/zinc/58/54/98/1018585498.db2.gz CKULKEVUQTWSIC-UHFFFAOYSA-N -1 0 305.312 -0.318 20 0 DBADRM CCN(CCCNC(=O)CC(N)=O)c1ncc(C(=O)[O-])cn1 ZINC001605445095 1018585684 /nfs/dbraw/zinc/58/56/84/1018585684.db2.gz JSGYGBWJKXWEOJ-UHFFFAOYSA-N -1 0 309.326 -0.617 20 0 DBADRM CCN(CCO)C(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001605447937 1018586082 /nfs/dbraw/zinc/58/60/82/1018586082.db2.gz NINXLNMREYDFQE-GFCCVEGCSA-N -1 0 322.317 -0.294 20 0 DBADRM CCN(CCCNC(=O)NC[C@H](F)C(=O)[O-])S(C)(=O)=O ZINC001605445468 1018586693 /nfs/dbraw/zinc/58/66/93/1018586693.db2.gz UTLTZYYOXWZMEK-QMMMGPOBSA-N -1 0 313.351 -0.620 20 0 DBADRM Cc1nn(CN2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c(=O)o1 ZINC001605441022 1018587719 /nfs/dbraw/zinc/58/77/19/1018587719.db2.gz SZDFDTCJBQYOLB-JTQLQIEISA-N -1 0 324.337 -0.500 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])CCN2C1=O ZINC001605464489 1018592665 /nfs/dbraw/zinc/59/26/65/1018592665.db2.gz JKJFWPAIBHGZQI-OPRDCNLKSA-N -1 0 324.337 -0.615 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(CC[S@@](C)=O)c(=O)n1C1CC1 ZINC001605465859 1018592999 /nfs/dbraw/zinc/59/29/99/1018592999.db2.gz WSNDYNSBCRXVBN-JOCHJYFZSA-N -1 0 324.366 -0.788 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(C/C=C\Cl)c(=O)n1CCO ZINC001605462361 1018593312 /nfs/dbraw/zinc/59/33/12/1018593312.db2.gz BZRFIJMVUSUYIZ-IHWYPQMZSA-N -1 0 312.717 -0.757 20 0 DBADRM Cn1cc(-c2nn(C)cc2C(=O)OCC(=O)NCC(=O)[O-])cn1 ZINC001605477494 1018597771 /nfs/dbraw/zinc/59/77/71/1018597771.db2.gz XXXIOPYRGLIKMT-UHFFFAOYSA-N -1 0 321.293 -0.822 20 0 DBADRM Cn1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c(=O)n(C)c1=O ZINC001605481054 1018598492 /nfs/dbraw/zinc/59/84/92/1018598492.db2.gz HECBKBAPXWSABS-SNVBAGLBSA-N -1 0 323.349 -0.057 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1=O ZINC001605471850 1018599163 /nfs/dbraw/zinc/59/91/63/1018599163.db2.gz ZBDZKCUNEDJRFR-NRUUGDAUSA-N -1 0 316.379 -0.124 20 0 DBADRM CCNC(=O)C(C)(C)NC(=O)COCc1ocnc1C(=O)[O-] ZINC001605487352 1018599929 /nfs/dbraw/zinc/59/99/29/1018599929.db2.gz JOFDERJAONYEEQ-UHFFFAOYSA-N -1 0 313.310 -0.080 20 0 DBADRM CCN1CCO[C@H](C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC001605482928 1018600663 /nfs/dbraw/zinc/60/06/63/1018600663.db2.gz PSKZZOZWCVFDCM-NSHDSACASA-N -1 0 300.355 -0.295 20 0 DBADRM CCN1CCO[C@H](C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)C1 ZINC001605483098 1018602290 /nfs/dbraw/zinc/60/22/90/1018602290.db2.gz ZWCLDVWBXWAEQM-UTUOFQBUSA-N -1 0 300.355 -0.439 20 0 DBADRM CCN1CCOC[C@H]1C(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001605486950 1018602667 /nfs/dbraw/zinc/60/26/67/1018602667.db2.gz UXKGDUFVABVTAX-NSHDSACASA-N -1 0 323.353 -0.576 20 0 DBADRM CCNC(=O)C1(CNS(=O)(=O)N(C)CCC(=O)[O-])CCC1 ZINC001605489160 1018602821 /nfs/dbraw/zinc/60/28/21/1018602821.db2.gz FYIRHQSCHRNMMC-UHFFFAOYSA-N -1 0 321.399 -0.466 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)C[C@H]3CC(=O)N3)C2)cn1 ZINC001605491520 1018603473 /nfs/dbraw/zinc/60/34/73/1018603473.db2.gz RIDTUAGIODIDOK-JFGNBEQYSA-N -1 0 320.349 -0.285 20 0 DBADRM Cc1c(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)nnn1C ZINC001605494634 1018603545 /nfs/dbraw/zinc/60/35/45/1018603545.db2.gz VRILBGRBLJYURF-LURJTMIESA-N -1 0 303.290 -0.905 20 0 DBADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)[C@H]3COC(=O)N3)C2)cn1 ZINC001605491304 1018604465 /nfs/dbraw/zinc/60/44/65/1018604465.db2.gz POYQFXXICAGWMA-IQJOONFLSA-N -1 0 322.321 -0.455 20 0 DBADRM CCNC(=O)CCCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001605492822 1018604607 /nfs/dbraw/zinc/60/46/07/1018604607.db2.gz CYQYQAQHEAMHJX-SNVBAGLBSA-N -1 0 313.354 -0.515 20 0 DBADRM Cn1cc(CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])nn1 ZINC001605496392 1018605304 /nfs/dbraw/zinc/60/53/04/1018605304.db2.gz BOEYZYOSAIZFBU-UHFFFAOYSA-N -1 0 304.266 -0.837 20 0 DBADRM CCNC(=O)CCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001605490323 1018605561 /nfs/dbraw/zinc/60/55/61/1018605561.db2.gz SWSYBGBPXCCCEC-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM CCNC(=O)CN(CC)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001605493403 1018605634 /nfs/dbraw/zinc/60/56/34/1018605634.db2.gz VIGXDQWVQRQLDL-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001605498694 1018606428 /nfs/dbraw/zinc/60/64/28/1018606428.db2.gz BHYFYJUJZJFHJZ-UHFFFAOYSA-N -1 0 316.339 -0.159 20 0 DBADRM Cc1c[nH]c(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001605503360 1018606621 /nfs/dbraw/zinc/60/66/21/1018606621.db2.gz RFKXXSOIYPSDSJ-SSDOTTSWSA-N -1 0 302.302 -0.633 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001605498789 1018607057 /nfs/dbraw/zinc/60/70/57/1018607057.db2.gz GFSBUPYCMIREMG-ALXWSUNGSA-N -1 0 316.379 -0.219 20 0 DBADRM Cn1ccc(CCn2nnnc2N2CCC[C@H](C(=O)[O-])C2)n1 ZINC001605505695 1018607104 /nfs/dbraw/zinc/60/71/04/1018607104.db2.gz MLROMMGJDSIVNR-JTQLQIEISA-N -1 0 305.342 -0.050 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC[C@H](CO)C1 ZINC001605506809 1018607336 /nfs/dbraw/zinc/60/73/36/1018607336.db2.gz QZKIIHOFZLKPNJ-QMMMGPOBSA-N -1 0 304.310 -0.270 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@]3(C(=O)[O-])CCCO3)C2)cn1 ZINC001605502171 1018608124 /nfs/dbraw/zinc/60/81/24/1018608124.db2.gz YVPLKCUCEMRTQD-HZMBPMFUSA-N -1 0 308.338 -0.251 20 0 DBADRM CCOC(=O)[C@@H](C)CNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001605508032 1018608391 /nfs/dbraw/zinc/60/83/91/1018608391.db2.gz LMCSUVDUDGXONV-VIFPVBQESA-N -1 0 310.306 -0.138 20 0 DBADRM Cc1c(S(=O)(=O)[N-]c2c(-c3nn[nH]n3)cnn2C)cnn1C ZINC001605499835 1018608761 /nfs/dbraw/zinc/60/87/61/1018608761.db2.gz FOTPAAJXIDTFNG-UHFFFAOYSA-N -1 0 323.342 -0.557 20 0 DBADRM Cn1ccnc1N1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001605511667 1018609629 /nfs/dbraw/zinc/60/96/29/1018609629.db2.gz FUDPMZCOZACGFD-LLVKDONJSA-N -1 0 307.354 -0.772 20 0 DBADRM CCOC(=O)C(NC(=O)c1ccc(C(=O)[O-])[nH]1)C(=O)OCC ZINC001605515996 1018610056 /nfs/dbraw/zinc/61/00/56/1018610056.db2.gz JQMWMUJRHOKTNO-UHFFFAOYSA-N -1 0 312.278 -0.063 20 0 DBADRM Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001605511978 1018610250 /nfs/dbraw/zinc/61/02/50/1018610250.db2.gz LIKIUYPEHAIURS-MXWKQRLJSA-N -1 0 320.349 -0.285 20 0 DBADRM Cn1ccnc1CCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001605511583 1018610328 /nfs/dbraw/zinc/61/03/28/1018610328.db2.gz BYHSDDPPBYVWBK-VIFPVBQESA-N -1 0 315.351 -0.937 20 0 DBADRM Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC001605512460 1018610665 /nfs/dbraw/zinc/61/06/65/1018610665.db2.gz UDVIAGPUUHKXRY-MNOVXSKESA-N -1 0 320.349 -0.331 20 0 DBADRM CCOC(=O)C1(C(=O)NCCC(=O)NCCC(=O)[O-])CCC1 ZINC001605515463 1018610699 /nfs/dbraw/zinc/61/06/99/1018610699.db2.gz OHVINPJMDBQUNA-UHFFFAOYSA-N -1 0 314.338 -0.183 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N1CC[C@@](OC)(C(=O)[O-])C1)C(C)=O ZINC001605509801 1018611380 /nfs/dbraw/zinc/61/13/80/1018611380.db2.gz VDSNWBVCGFFWHA-HZMBPMFUSA-N -1 0 315.322 -0.153 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@@H]1COCC[C@H]1O ZINC001605509885 1018611795 /nfs/dbraw/zinc/61/17/95/1018611795.db2.gz JYZCLIKGECHXBT-RKDXNWHRSA-N -1 0 320.309 -0.845 20 0 DBADRM CCOC(=O)C1(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001605514994 1018611825 /nfs/dbraw/zinc/61/18/25/1018611825.db2.gz ABAURBZGPZNHJC-UHFFFAOYSA-N -1 0 308.294 -0.297 20 0 DBADRM CCOC(=O)C1(CC(=O)N2CC(O)(C(=O)[O-])C2)CCOCC1 ZINC001605516654 1018611946 /nfs/dbraw/zinc/61/19/46/1018611946.db2.gz BJZFDTOMRDFLGV-UHFFFAOYSA-N -1 0 315.322 -0.606 20 0 DBADRM Cn1cncc1CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001605523391 1018612534 /nfs/dbraw/zinc/61/25/34/1018612534.db2.gz YUOLSCOUFDBMMR-LLVKDONJSA-N -1 0 308.338 -0.598 20 0 DBADRM CCOC(=O)[C@H]1CCCN(CC(=O)NC[C@H](O)CC(=O)[O-])C1 ZINC001605526368 1018612570 /nfs/dbraw/zinc/61/25/70/1018612570.db2.gz NTEFWGPOOYLEOF-WDEREUQCSA-N -1 0 316.354 -0.787 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@H](CO)[C@H](O)c1ccccn1 ZINC001605533404 1018613431 /nfs/dbraw/zinc/61/34/31/1018613431.db2.gz CNPPBMAUTFMCIU-ZYHUDNBSSA-N -1 0 320.305 -0.662 20 0 DBADRM Cn1nc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1Cl ZINC001605528703 1018614266 /nfs/dbraw/zinc/61/42/66/1018614266.db2.gz SEAQDWCEXVVKAA-UHFFFAOYSA-N -1 0 300.702 -0.558 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001605532825 1018615143 /nfs/dbraw/zinc/61/51/43/1018615143.db2.gz JLEABBVPUPMLDR-JTQLQIEISA-N -1 0 317.338 -0.312 20 0 DBADRM CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cn1cnc(C(=O)[O-])n1 ZINC001605534689 1018616124 /nfs/dbraw/zinc/61/61/24/1018616124.db2.gz FTGCFSKCVQUOOZ-NXEZZACHSA-N -1 0 312.326 -0.024 20 0 DBADRM Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)NCCC(=O)[O-] ZINC001605544992 1018616621 /nfs/dbraw/zinc/61/66/21/1018616621.db2.gz BJYIYZLWFOWNBG-VIFPVBQESA-N -1 0 310.310 -0.199 20 0 DBADRM CCOC(=O)COCCNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001605541681 1018617623 /nfs/dbraw/zinc/61/76/23/1018617623.db2.gz AOEJOJIOGCWQFK-UWVGGRQHSA-N -1 0 318.326 -0.550 20 0 DBADRM CCOC(=O)N(C)CCCC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001605544045 1018617995 /nfs/dbraw/zinc/61/79/95/1018617995.db2.gz WLCJMEGKDUEERR-NXEZZACHSA-N -1 0 302.327 -0.099 20 0 DBADRM CCOC(=O)CNC(=O)[C@@H]1COCCN1CCCCC(=O)[O-] ZINC001605541723 1018618119 /nfs/dbraw/zinc/61/81/19/1018618119.db2.gz BVRVPCRCOVTVKV-NSHDSACASA-N -1 0 316.354 -0.379 20 0 DBADRM CCOC(=O)N1CSC[C@H]1C(=O)NCC[C@H](O)C(=O)[O-] ZINC001605552912 1018619402 /nfs/dbraw/zinc/61/94/02/1018619402.db2.gz ZLGNVYIFSKPSIX-YUMQZZPRSA-N -1 0 306.340 -0.530 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001605557955 1018623251 /nfs/dbraw/zinc/62/32/51/1018623251.db2.gz WRIDTZJPLROLBY-AEJSXWLSSA-N -1 0 312.322 -0.623 20 0 DBADRM CCOC(=O)c1cc(C(=O)OCC(=O)NCC(=O)[O-])[nH]c1C ZINC001605565023 1018624104 /nfs/dbraw/zinc/62/41/04/1018624104.db2.gz AGPCJZOXLYIEHX-UHFFFAOYSA-N -1 0 312.278 -0.143 20 0 DBADRM Cn1nccc1C1(O)CCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001605569634 1018624195 /nfs/dbraw/zinc/62/41/95/1018624195.db2.gz FVVDWOJOKUBZRC-NSHDSACASA-N -1 0 322.365 -0.611 20 0 DBADRM CCOC(=O)c1cc(C(=O)NC2(C(=O)[O-])CC(CO)C2)on1 ZINC001605566539 1018624903 /nfs/dbraw/zinc/62/49/03/1018624903.db2.gz YUUQZIZGNFMIFC-UHFFFAOYSA-N -1 0 312.278 -0.193 20 0 DBADRM CC[C@@H](C)C(=O)N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001501304459 1018625472 /nfs/dbraw/zinc/62/54/72/1018625472.db2.gz UTSDLDBESXCEDQ-QMTHXVAHSA-N -1 0 311.386 -0.001 20 0 DBADRM Cn1nnc2ccc(C(=O)O[C@@H]3CCN(CC(=O)[O-])C3=O)cc21 ZINC001605576098 1018627342 /nfs/dbraw/zinc/62/73/42/1018627342.db2.gz HHRKMGZYTLUOJN-LLVKDONJSA-N -1 0 318.289 -0.189 20 0 DBADRM CCOC(=O)c1n[n-]c(CNC2CC[NH+](CC(=O)[O-])CC2)n1 ZINC001605581330 1018627389 /nfs/dbraw/zinc/62/73/89/1018627389.db2.gz PKVVFZXOSXYQJU-UHFFFAOYSA-N -1 0 311.342 -0.380 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC001605571567 1018627560 /nfs/dbraw/zinc/62/75/60/1018627560.db2.gz VNPHOUNIQGQNRN-HYXAFXHYSA-N -1 0 318.289 -0.151 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)C2(C(=O)[O-])CCCCC2)C1 ZINC001605571291 1018628065 /nfs/dbraw/zinc/62/80/65/1018628065.db2.gz PCGFBKCNFAPPPK-UHFFFAOYSA-N -1 0 308.338 -0.120 20 0 DBADRM CCOC(=O)c1ccc(C(=O)N(CC(=O)[O-])CC(=O)OC)nc1 ZINC001605570356 1018628557 /nfs/dbraw/zinc/62/85/57/1018628557.db2.gz XCBWONDPFOMHIN-UHFFFAOYSA-N -1 0 324.289 -0.042 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N[C@@H]2CCS(=O)(=O)[C@@H]2C)n1 ZINC001605583848 1018629293 /nfs/dbraw/zinc/62/92/93/1018629293.db2.gz QPFVRKZYRNAKOS-HTQZYQBOSA-N -1 0 309.355 -0.047 20 0 DBADRM CCOC(CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)OCC ZINC001605592513 1018631686 /nfs/dbraw/zinc/63/16/86/1018631686.db2.gz LNCIJRIJHZSVPF-SNVBAGLBSA-N -1 0 316.354 -0.175 20 0 DBADRM CCOC1CC(CNC(=O)CC(=O)[O-])(N2CCOCC2)C1 ZINC001605598540 1018631709 /nfs/dbraw/zinc/63/17/09/1018631709.db2.gz KKXLIOCSEWJDED-UHFFFAOYSA-N -1 0 300.355 -0.153 20 0 DBADRM CCO[C@H]1COCC[C@@H]1CC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001605615237 1018634432 /nfs/dbraw/zinc/63/44/32/1018634432.db2.gz DRKDGGOAUXKOHS-KKOKHZNYSA-N -1 0 301.339 -0.136 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)CC(=O)NC(=O)NCC(C)C ZINC001605624922 1018634924 /nfs/dbraw/zinc/63/49/24/1018634924.db2.gz PQDUNLXQLMQVFY-SNVBAGLBSA-N -1 0 303.359 -0.110 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)COCc1nncn1C ZINC001605620616 1018635190 /nfs/dbraw/zinc/63/51/90/1018635190.db2.gz MOJWIDXDFLGOCX-SECBINFHSA-N -1 0 300.315 -0.720 20 0 DBADRM CCOCC(=O)NC[C@@H]1CN(c2ccnc(C(=O)[O-])n2)CCO1 ZINC001605618729 1018635211 /nfs/dbraw/zinc/63/52/11/1018635211.db2.gz NUIZLUBSFVPTOC-SNVBAGLBSA-N -1 0 324.337 -0.467 20 0 DBADRM CCO[C@@H]1COCC[C@H]1CC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001605615236 1018635882 /nfs/dbraw/zinc/63/58/82/1018635882.db2.gz DRKDGGOAUXKOHS-IRCOFANPSA-N -1 0 301.339 -0.136 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)Cc1ccc(C(N)=O)nc1 ZINC001605620628 1018636438 /nfs/dbraw/zinc/63/64/38/1018636438.db2.gz NEMBECGTHIYLBE-LLVKDONJSA-N -1 0 309.322 -0.329 20 0 DBADRM NC(=O)CC1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC001605627420 1018637536 /nfs/dbraw/zinc/63/75/36/1018637536.db2.gz BNSWBHTXKUZDQD-UHFFFAOYSA-N -1 0 313.354 -0.179 20 0 DBADRM NC(=O)[C@@H]1CCCCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001605627399 1018637719 /nfs/dbraw/zinc/63/77/19/1018637719.db2.gz AJJSXWXWKOVDQC-JTQLQIEISA-N -1 0 307.306 -0.587 20 0 DBADRM NC(=O)CCCCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001605631942 1018637945 /nfs/dbraw/zinc/63/79/45/1018637945.db2.gz UGJHRXIAOBFDLL-UHFFFAOYSA-N -1 0 320.367 -0.962 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC001605626785 1018638019 /nfs/dbraw/zinc/63/80/19/1018638019.db2.gz MCPWOYFDAUIVHV-DTWKUNHWSA-N -1 0 312.326 -0.487 20 0 DBADRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)[C@H]1CN(C)C(=O)N1 ZINC001605631642 1018638573 /nfs/dbraw/zinc/63/85/73/1018638573.db2.gz YJBBGUBNUBPDRU-WDEREUQCSA-N -1 0 315.370 -0.014 20 0 DBADRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001605631641 1018639059 /nfs/dbraw/zinc/63/90/59/1018639059.db2.gz YJBBGUBNUBPDRU-QWRGUYRKSA-N -1 0 315.370 -0.014 20 0 DBADRM NC(=O)c1cc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c[nH]1 ZINC001605639705 1018639672 /nfs/dbraw/zinc/63/96/72/1018639672.db2.gz WHQFREIYIPRIOV-SECBINFHSA-N -1 0 322.321 -0.691 20 0 DBADRM NC(=O)NC1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)CC1 ZINC001605633908 1018639688 /nfs/dbraw/zinc/63/96/88/1018639688.db2.gz CMUZNCLTOBUICA-UHFFFAOYSA-N -1 0 322.321 -0.794 20 0 DBADRM CCOCCS(=O)(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001605638332 1018639944 /nfs/dbraw/zinc/63/99/44/1018639944.db2.gz BZRSNWPNGHAJLO-LLVKDONJSA-N -1 0 306.340 -0.342 20 0 DBADRM CCOCCONC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001605639423 1018640507 /nfs/dbraw/zinc/64/05/07/1018640507.db2.gz MRBTUFUIBFSKBZ-GFCCVEGCSA-N -1 0 301.299 -0.031 20 0 DBADRM NS(=O)(=O)N1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CC1 ZINC001605649648 1018642152 /nfs/dbraw/zinc/64/21/52/1018642152.db2.gz GKMIHBPHZUGWIZ-SNVBAGLBSA-N -1 0 319.383 -0.775 20 0 DBADRM NS(=O)(=O)c1cccc(CN2CCO[C@@H](C(=O)[O-])C2)c1 ZINC001605649134 1018642174 /nfs/dbraw/zinc/64/21/74/1018642174.db2.gz QYRJWJHSLINXGO-LLVKDONJSA-N -1 0 300.336 -0.381 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CC1 ZINC001605643393 1018642390 /nfs/dbraw/zinc/64/23/90/1018642390.db2.gz SHERTMYVFFTOGP-DTWKUNHWSA-N -1 0 320.367 -0.806 20 0 DBADRM NS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)C(=O)[O-])c1 ZINC001605648953 1018642400 /nfs/dbraw/zinc/64/24/00/1018642400.db2.gz LMXYMJUXLNSQOO-UHFFFAOYSA-N -1 0 321.694 -0.202 20 0 DBADRM CCO[C@@H]1COC[C@H]1N1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001605651750 1018642421 /nfs/dbraw/zinc/64/24/21/1018642421.db2.gz RTNKSFMUMIZKBC-GWOFURMSSA-N -1 0 312.322 -0.082 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001605643531 1018643980 /nfs/dbraw/zinc/64/39/80/1018643980.db2.gz WSVUPOZKVPXVSY-KXUCPTDWSA-N -1 0 304.368 -0.376 20 0 DBADRM NS(=O)(=O)c1n[nH]cc1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001605649090 1018644051 /nfs/dbraw/zinc/64/40/51/1018644051.db2.gz ORUYWVNHACTJDP-ZETCQYMHSA-N -1 0 316.339 -0.616 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1CCCn3ncnc31)C2 ZINC001605660817 1018645490 /nfs/dbraw/zinc/64/54/90/1018645490.db2.gz WAEJUALZTSOSJD-RBZYPMLTSA-N -1 0 306.322 -0.285 20 0 DBADRM O=C([O-])C(=O)COC(=O)CN1c2ccccc2OCCC1=O ZINC001605689847 1018645981 /nfs/dbraw/zinc/64/59/81/1018645981.db2.gz VYBVIHHTBWJNJE-UHFFFAOYSA-N -1 0 307.258 -0.001 20 0 DBADRM CCOc1ccc(C(=O)NCC(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001605679151 1018646823 /nfs/dbraw/zinc/64/68/23/1018646823.db2.gz BETSYWZTTUNGOA-UHFFFAOYSA-N -1 0 322.317 -0.527 20 0 DBADRM Nc1ccnn1CC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001605655093 1018646870 /nfs/dbraw/zinc/64/68/70/1018646870.db2.gz DETJXBCUDYLZBK-OPASDULOSA-N -1 0 308.338 -0.006 20 0 DBADRM CCOc1ccccc1C(=O)NCC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001605709303 1018648467 /nfs/dbraw/zinc/64/84/67/1018648467.db2.gz PDTDSPIBICKVOT-UHFFFAOYSA-N -1 0 322.317 -0.527 20 0 DBADRM CCS(=O)(=O)CC(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC001605719187 1018649174 /nfs/dbraw/zinc/64/91/74/1018649174.db2.gz XRTXQDZMDVRHQU-QMMMGPOBSA-N -1 0 306.365 -0.310 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001605719967 1018649402 /nfs/dbraw/zinc/64/94/02/1018649402.db2.gz FTBMBQUGZCCDHZ-UTLUCORTSA-N -1 0 322.383 -0.307 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)CCc2ocnc2C(=O)[O-])C1 ZINC001605718820 1018649642 /nfs/dbraw/zinc/64/96/42/1018649642.db2.gz NKACWJRJCLLSIC-UHFFFAOYSA-N -1 0 316.335 -0.049 20 0 DBADRM Cc1cc(NC(=O)COc2cnc(-c3nnn[n-]3)nc2)no1 ZINC001605706356 1018650519 /nfs/dbraw/zinc/65/05/19/1018650519.db2.gz FOLCUKODJWERMR-UHFFFAOYSA-N -1 0 302.254 -0.029 20 0 DBADRM O=C(CS(=O)(=O)C1CC1)NCC1(C(=O)[O-])CCOCC1 ZINC001605702952 1018650894 /nfs/dbraw/zinc/65/08/94/1018650894.db2.gz NVPKACLWFGWSII-UHFFFAOYSA-N -1 0 305.352 -0.439 20 0 DBADRM CCS(=O)(=O)N1CCN(C[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1 ZINC001605726186 1018651572 /nfs/dbraw/zinc/65/15/72/1018651572.db2.gz OLMFWENFMVRAEV-IUCAKERBSA-N -1 0 312.338 -0.080 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)NC[C@H](F)C(=O)[O-])CC1 ZINC001605725854 1018651618 /nfs/dbraw/zinc/65/16/18/1018651618.db2.gz JLEXGCJEVCDHPK-QMMMGPOBSA-N -1 0 311.335 -0.914 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001605724875 1018651648 /nfs/dbraw/zinc/65/16/48/1018651648.db2.gz KUKJIYJSAGQTLN-XPUUQOCRSA-N -1 0 314.310 -0.650 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001605721565 1018652542 /nfs/dbraw/zinc/65/25/42/1018652542.db2.gz ZSQJZMMKLOGRQP-OPRDCNLKSA-N -1 0 307.368 -0.242 20 0 DBADRM CCS(=O)(=O)N1CCC(Nc2ccnc(C(=O)[O-])n2)CC1 ZINC001605725618 1018652660 /nfs/dbraw/zinc/65/26/60/1018652660.db2.gz WYENURRBXGVFQT-UHFFFAOYSA-N -1 0 314.367 -0.177 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001605727462 1018653020 /nfs/dbraw/zinc/65/30/20/1018653020.db2.gz FYNKDTQZZCSBKQ-UHFFFAOYSA-N -1 0 317.327 -0.764 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)Nc1cc(C(=O)[O-])nn1C ZINC001605727654 1018653043 /nfs/dbraw/zinc/65/30/43/1018653043.db2.gz LDHGYXGCSRVZEL-UHFFFAOYSA-N -1 0 319.343 -0.821 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001605726702 1018653117 /nfs/dbraw/zinc/65/31/17/1018653117.db2.gz JKBHOQAKJZKMLP-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)O[C@H](C)C(=O)C(=O)[O-])C1 ZINC001605725893 1018653192 /nfs/dbraw/zinc/65/31/92/1018653192.db2.gz KXVVEVZUJHEPBG-RKDXNWHRSA-N -1 0 321.351 -0.367 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC2CCC(F)(F)CC2)CCO1 ZINC001605743886 1018655212 /nfs/dbraw/zinc/65/52/12/1018655212.db2.gz IYSOIUXJYLCAKB-VIFPVBQESA-N -1 0 320.292 -0.008 20 0 DBADRM CC[S@@](=O)c1ccccc1C(=O)NCC(=O)NCC(=O)[O-] ZINC001605735127 1018655413 /nfs/dbraw/zinc/65/54/13/1018655413.db2.gz CWUJOYCMUTWZKG-OAQYLSRUSA-N -1 0 312.347 -0.255 20 0 DBADRM O=C(Cn1nnc2c1CCCC2)NC1(C(=O)[O-])CCOCC1 ZINC001605732137 1018655470 /nfs/dbraw/zinc/65/54/70/1018655470.db2.gz WSDUUSXVHNBYNH-UHFFFAOYSA-N -1 0 308.338 -0.093 20 0 DBADRM CCS(=O)(=O)NCC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001605727979 1018655782 /nfs/dbraw/zinc/65/57/82/1018655782.db2.gz SSINIWCGJFLBQV-NSHDSACASA-N -1 0 314.363 -0.090 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@]2(OCCO)CCOC2)C1 ZINC001605765368 1018658510 /nfs/dbraw/zinc/65/85/10/1018658510.db2.gz XSUAECQWJRZQGN-WDMOLILDSA-N -1 0 301.339 -0.229 20 0 DBADRM CCc1[nH]c(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)c(C)c1C(=O)[O-] ZINC001605764683 1018658682 /nfs/dbraw/zinc/65/86/82/1018658682.db2.gz AHSLTAZDLGVMII-APPZFPTMSA-N -1 0 309.322 -0.356 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CC[C@H](O)[C@@H](F)C2)CCOCC1 ZINC001605761139 1018658867 /nfs/dbraw/zinc/65/88/67/1018658867.db2.gz PKOMBVYRAXECJV-UWVGGRQHSA-N -1 0 304.318 -0.018 20 0 DBADRM CC[C@@H]1C[C@H]1NC(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001605753095 1018659436 /nfs/dbraw/zinc/65/94/36/1018659436.db2.gz RSOKBHKOEARDDY-RFXMVYNHSA-N -1 0 309.322 -0.267 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N[C@@H]1COC(=O)C1 ZINC001605801397 1018660768 /nfs/dbraw/zinc/66/07/68/1018660768.db2.gz HMKIUBFISKTCRX-VIFPVBQESA-N -1 0 323.334 -0.231 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCCn2ncnn2)c1 ZINC001605792626 1018661586 /nfs/dbraw/zinc/66/15/86/1018661586.db2.gz GWGGYOUOKGTLQY-UHFFFAOYSA-N -1 0 304.266 -0.874 20 0 DBADRM CCc1n[nH]cc1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001605777155 1018662666 /nfs/dbraw/zinc/66/26/66/1018662666.db2.gz CLNXZPJXSDQBIL-VHSXEESVSA-N -1 0 320.349 -0.023 20 0 DBADRM CCc1cc(C(=O)NCCNc2ccnc(C(=O)[O-])n2)n(C)n1 ZINC001605785554 1018663067 /nfs/dbraw/zinc/66/30/67/1018663067.db2.gz ARYNRRMCDGIONX-UHFFFAOYSA-N -1 0 318.337 -0.266 20 0 DBADRM CCc1nc(NC(=O)CCNC(=O)CO)sc1C(=O)[O-] ZINC001605854337 1018664811 /nfs/dbraw/zinc/66/48/11/1018664811.db2.gz VLPKYYODWAEFDE-UHFFFAOYSA-N -1 0 301.324 -0.159 20 0 DBADRM CCc1nc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C(=O)[O-])no1 ZINC001605850108 1018665069 /nfs/dbraw/zinc/66/50/69/1018665069.db2.gz BBLKZPXIXKAKAT-LGMRYKSHSA-N -1 0 320.349 -0.101 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCc1nnc3n1CCC3)C2 ZINC001605814549 1018665372 /nfs/dbraw/zinc/66/53/72/1018665372.db2.gz GRADGABAHJQXPA-YMTOWFKASA-N -1 0 321.337 -0.533 20 0 DBADRM CCc1nc[nH]c1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001605860405 1018665406 /nfs/dbraw/zinc/66/54/06/1018665406.db2.gz SUWFFVAVECHHAB-QPUJVOFHSA-N -1 0 315.351 -0.410 20 0 DBADRM CCc1ccc(NC(=O)C(=O)N[C@H]2CCNC2=O)c(C(=O)[O-])c1 ZINC001605817989 1018665681 /nfs/dbraw/zinc/66/56/81/1018665681.db2.gz NULROVRTVOEBES-NSHDSACASA-N -1 0 319.317 -0.110 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC(N3CCCC3=O)C2)C1 ZINC001605831415 1018666722 /nfs/dbraw/zinc/66/67/22/1018666722.db2.gz SMSITQFHLYWAHR-ZJUUUORDSA-N -1 0 323.349 -0.811 20 0 DBADRM CCc1nc(CCNC(=O)C(=O)NC[C@H](F)C(=O)[O-])cs1 ZINC001605851715 1018666970 /nfs/dbraw/zinc/66/69/70/1018666970.db2.gz MCDBPIUFLPFQFO-QMMMGPOBSA-N -1 0 317.342 -0.097 20 0 DBADRM CCc1noc(NC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])n1 ZINC001605877851 1018668431 /nfs/dbraw/zinc/66/84/31/1018668431.db2.gz SIVILISEGZONMW-ZETCQYMHSA-N -1 0 311.298 -0.171 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001605866284 1018668876 /nfs/dbraw/zinc/66/88/76/1018668876.db2.gz GLKSJXRURPBCGJ-KWQFWETISA-N -1 0 317.367 -0.250 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001605867090 1018669339 /nfs/dbraw/zinc/66/93/39/1018669339.db2.gz QYIIOAGKROOULZ-YANNEJOOSA-N -1 0 323.330 -0.550 20 0 DBADRM CCc1nocc1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001605880258 1018669378 /nfs/dbraw/zinc/66/93/78/1018669378.db2.gz MHFKSUJIEQCMAV-MRVPVSSYSA-N -1 0 316.335 -0.049 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cccc3[nH]c(=O)oc32)CC1 ZINC001605885229 1018669611 /nfs/dbraw/zinc/66/96/11/1018669611.db2.gz BXMBMXGBHQXVNZ-UHFFFAOYSA-N -1 0 319.273 -0.098 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001605867311 1018669638 /nfs/dbraw/zinc/66/96/38/1018669638.db2.gz VLIRLWHVZYZCKI-BRPSZJMVSA-N -1 0 305.290 -0.585 20 0 DBADRM CCn1cc(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001605915508 1018671807 /nfs/dbraw/zinc/67/18/07/1018671807.db2.gz PSINRGJNTXXBAC-NWDGAFQWSA-N -1 0 320.349 -0.094 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2ccc3[nH]ccc3n2)CC1 ZINC001605886028 1018672222 /nfs/dbraw/zinc/67/22/22/1018672222.db2.gz YECMAISQHTXUDC-UHFFFAOYSA-N -1 0 302.290 -0.068 20 0 DBADRM O=C([O-])C(=O)N1CCN(Cc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC001605885735 1018672534 /nfs/dbraw/zinc/67/25/34/1018672534.db2.gz GVXWLRAKDSGNRV-LLVKDONJSA-N -1 0 323.353 -0.957 20 0 DBADRM O=C([O-])[C@@H](C(=O)N1CCO[C@H](CN2CCOCC2)C1)C1CC1 ZINC001605892824 1018672539 /nfs/dbraw/zinc/67/25/39/1018672539.db2.gz HSVNXHQYMCHSRI-CHWSQXEVSA-N -1 0 312.366 -0.343 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CCO[C@@H](CN2CCOCC2)C1)C1CC1 ZINC001605892827 1018673127 /nfs/dbraw/zinc/67/31/27/1018673127.db2.gz HSVNXHQYMCHSRI-STQMWFEESA-N -1 0 312.366 -0.343 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN([C@H]3CCOC3)CC2)CCOCC1 ZINC001605916018 1018674001 /nfs/dbraw/zinc/67/40/01/1018674001.db2.gz CRLYKZKBWRYWRB-LBPRGKRZSA-N -1 0 312.366 -0.199 20 0 DBADRM O=C([O-])[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)CCCO1 ZINC001605923126 1018674412 /nfs/dbraw/zinc/67/44/12/1018674412.db2.gz TZXADNNRQLVMHN-NKDKAASFSA-N -1 0 317.363 -0.155 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CCCO1 ZINC001605916047 1018674829 /nfs/dbraw/zinc/67/48/29/1018674829.db2.gz FECCYLUXUALEPG-SWLSCSKDSA-N -1 0 312.366 -0.057 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CCN(CCCCCO)CC2)CCCO1 ZINC001605916177 1018675292 /nfs/dbraw/zinc/67/52/92/1018675292.db2.gz KZLLIQYQANYDIZ-HNNXBMFYSA-N -1 0 314.382 -0.073 20 0 DBADRM CCn1cc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)nn1 ZINC001605920806 1018675680 /nfs/dbraw/zinc/67/56/80/1018675680.db2.gz FDPAXLRIGGHGAM-JTQLQIEISA-N -1 0 309.326 -0.763 20 0 DBADRM O=C([O-])C1(C(=O)N[C@H](CO)Cc2ccncc2)CCOCC1 ZINC001605917637 1018675749 /nfs/dbraw/zinc/67/57/49/1018675749.db2.gz VDPRRKWJHUSICB-LBPRGKRZSA-N -1 0 308.334 -0.017 20 0 DBADRM O=C([O-])C1(C(=O)NCCc2cnoc2)CCS(=O)(=O)CC1 ZINC001605928536 1018676632 /nfs/dbraw/zinc/67/66/32/1018676632.db2.gz IRLWFJVQCRIDDK-UHFFFAOYSA-N -1 0 316.335 -0.387 20 0 DBADRM CCn1cnc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001605932099 1018676767 /nfs/dbraw/zinc/67/67/67/1018676767.db2.gz CXXRCNNSPMOFSL-GHMZBOCLSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1nc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])ccc1=O ZINC001605933990 1018676910 /nfs/dbraw/zinc/67/69/10/1018676910.db2.gz XLROOZKTLABJMZ-SNVBAGLBSA-N -1 0 305.294 -0.588 20 0 DBADRM CCn1nc(C)c(CN(CCN2CCOCC2)CC(=O)[O-])n1 ZINC001605937112 1018678134 /nfs/dbraw/zinc/67/81/34/1018678134.db2.gz QKUGRKZCWMREHS-UHFFFAOYSA-N -1 0 311.386 -0.175 20 0 DBADRM CCn1nccc1CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001605946425 1018678970 /nfs/dbraw/zinc/67/89/70/1018678970.db2.gz ZUFSSXDFNJIUCY-UHFFFAOYSA-N -1 0 320.309 -0.410 20 0 DBADRM O=C([O-])C1(C(=O)O[C@@H]2CCCOC2)CCS(=O)(=O)CC1 ZINC001605943608 1018679983 /nfs/dbraw/zinc/67/99/83/1018679983.db2.gz CKEWOAOHYIPVPE-SECBINFHSA-N -1 0 306.336 -0.012 20 0 DBADRM CCn1nncc1CN1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001605947098 1018679396 /nfs/dbraw/zinc/67/93/96/1018679396.db2.gz UCUOAAORQFLPIR-PSASIEDQSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1ncc(C(=O)CN2C(=O)N[C@](C)(CCC(=O)[O-])C2=O)n1 ZINC001605941709 1018679458 /nfs/dbraw/zinc/67/94/58/1018679458.db2.gz XKGLEFCOPKFDFD-CYBMUJFWSA-N -1 0 323.309 -0.344 20 0 DBADRM CCn1ncc(Br)c1C(=O)N[C@H](CO)C(=O)[O-] ZINC001605940726 1018679521 /nfs/dbraw/zinc/67/95/21/1018679521.db2.gz TYGAGOMJAZWIOT-ZCFIWIBFSA-N -1 0 306.116 -0.159 20 0 DBADRM CCn1nncc1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605946752 1018679622 /nfs/dbraw/zinc/67/96/22/1018679622.db2.gz CVYRUFKPISKBMR-UWVGGRQHSA-N -1 0 321.337 -0.699 20 0 DBADRM CCn1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1C ZINC001605941738 1018679880 /nfs/dbraw/zinc/67/98/80/1018679880.db2.gz ZGFWILTVAWMEKS-GHMZBOCLSA-N -1 0 320.349 -0.127 20 0 DBADRM CCn1nncc1CN1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O ZINC001605947099 1018679954 /nfs/dbraw/zinc/67/99/54/1018679954.db2.gz UCUOAAORQFLPIR-SCZZXKLOSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1nnc(C)c1CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001605945618 1018680026 /nfs/dbraw/zinc/68/00/26/1018680026.db2.gz ORJFCYDYLCJKRV-JTQLQIEISA-N -1 0 323.353 -0.454 20 0 DBADRM CCn1nnc(C)c1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001605946858 1018680155 /nfs/dbraw/zinc/68/01/55/1018680155.db2.gz ITQHWNKJIKINQE-UHFFFAOYSA-N -1 0 314.327 -0.494 20 0 DBADRM O=C([O-])C1(C(=O)OCCN2CCCS2(=O)=O)CC=CC1 ZINC001605950691 1018681523 /nfs/dbraw/zinc/68/15/23/1018681523.db2.gz DIHWFXIVBAKJRU-UHFFFAOYSA-N -1 0 303.336 -0.014 20 0 DBADRM CN(C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)C1CC(O)C1 ZINC001605951058 1018681661 /nfs/dbraw/zinc/68/16/61/1018681661.db2.gz UEYZOKMUGKHNAM-XVEXRTLQSA-N -1 0 310.350 -0.416 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001606037943 1018704002 /nfs/dbraw/zinc/70/40/02/1018704002.db2.gz RDTMQXCXTMZZLC-ZJUUUORDSA-N -1 0 322.383 -0.879 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CCN(Cc2nnn(C)n2)CC1 ZINC001605955756 1018682531 /nfs/dbraw/zinc/68/25/31/1018682531.db2.gz CHYCMMOZIJVSRB-QWRGUYRKSA-N -1 0 322.369 -0.646 20 0 DBADRM CN(C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)C1CC(O)C1 ZINC001605951001 1018682745 /nfs/dbraw/zinc/68/27/45/1018682745.db2.gz UEYZOKMUGKHNAM-QGLIYHSISA-N -1 0 310.350 -0.416 20 0 DBADRM CN(C(=O)C(=O)N1CCN(CC2CC2)CC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605952632 1018682787 /nfs/dbraw/zinc/68/27/87/1018682787.db2.gz ZZNPLWMDIBIBFA-BETUJISGSA-N -1 0 323.393 -0.138 20 0 DBADRM CN(C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)C1CC(O)C1 ZINC001605951961 1018683215 /nfs/dbraw/zinc/68/32/15/1018683215.db2.gz NCCSMVWUQNFPDM-UDQFVRRFSA-N -1 0 310.350 -0.319 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2ncccc2O)C1 ZINC001605957603 1018683225 /nfs/dbraw/zinc/68/32/25/1018683225.db2.gz UKYCSFLSMATHHP-ZJUUUORDSA-N -1 0 319.317 -0.209 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NCCCOC[C@@H]2CCOC2)C1 ZINC001605967873 1018683869 /nfs/dbraw/zinc/68/38/69/1018683869.db2.gz OORIFWHWBSWSIA-ONGXEEELSA-N -1 0 300.311 -0.225 20 0 DBADRM CN(C(=O)Cc1cc[nH]n1)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605966454 1018684042 /nfs/dbraw/zinc/68/40/42/1018684042.db2.gz MXBXXYDUWILHAD-QWRGUYRKSA-N -1 0 306.322 -0.658 20 0 DBADRM CN(C(=O)CN1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1)C1CC1 ZINC001605960931 1018684737 /nfs/dbraw/zinc/68/47/37/1018684737.db2.gz OBDBLZXAAYCQDM-NWDGAFQWSA-N -1 0 309.366 -0.624 20 0 DBADRM CN(C(=O)CCc1nnc[nH]1)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001605960668 1018684758 /nfs/dbraw/zinc/68/47/58/1018684758.db2.gz FHTUECICKVAVQI-NXEZZACHSA-N -1 0 321.337 -0.873 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@H]2CN(c3ccccc3)C2=O)C1 ZINC001605966942 1018684882 /nfs/dbraw/zinc/68/48/82/1018684882.db2.gz FBXQUTGRJNECHA-QWRGUYRKSA-N -1 0 303.274 -0.253 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N(CCOCCO)C2CCC2)C1 ZINC001605964357 1018686003 /nfs/dbraw/zinc/68/60/03/1018686003.db2.gz ZYGWNSBVEBEHQK-LLVKDONJSA-N -1 0 300.311 -0.394 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 ZINC001605973613 1018687759 /nfs/dbraw/zinc/68/77/59/1018687759.db2.gz BTHNQPSOGFCNNQ-SNVBAGLBSA-N -1 0 320.349 -0.124 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)OC3COC3)CC2)C1 ZINC001605974624 1018689077 /nfs/dbraw/zinc/68/90/77/1018689077.db2.gz UCHFBLVVEJKZBN-SECBINFHSA-N -1 0 312.322 -0.081 20 0 DBADRM CN(C(=O)Nc1nn(C)cc1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001605973290 1018689191 /nfs/dbraw/zinc/68/91/91/1018689191.db2.gz AZNJPPONARODJA-ZETCQYMHSA-N -1 0 316.339 -0.231 20 0 DBADRM CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001605994443 1018689957 /nfs/dbraw/zinc/68/99/57/1018689957.db2.gz LKWCHVOQPPYFBD-MRVPVSSYSA-N -1 0 324.424 -0.110 20 0 DBADRM CN(C)C(=O)CN1CCN(c2cc(CC(=O)[O-])ccn2)CC1 ZINC001605996562 1018690100 /nfs/dbraw/zinc/69/01/00/1018690100.db2.gz DRYPQKMPJGMBBM-UHFFFAOYSA-N -1 0 306.366 -0.081 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001605996914 1018690264 /nfs/dbraw/zinc/69/02/64/1018690264.db2.gz WGYRVCPQPRACSZ-UHFFFAOYSA-N -1 0 321.333 -0.866 20 0 DBADRM CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001605994444 1018690283 /nfs/dbraw/zinc/69/02/83/1018690283.db2.gz LKWCHVOQPPYFBD-QMMMGPOBSA-N -1 0 324.424 -0.110 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCC(C3(O)CC3)CC2)C1 ZINC001606000196 1018691554 /nfs/dbraw/zinc/69/15/54/1018691554.db2.gz RVCXGUWLFZSELH-SNVBAGLBSA-N -1 0 310.350 -0.317 20 0 DBADRM CN(C)C(=O)CCNC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001605997065 1018691934 /nfs/dbraw/zinc/69/19/34/1018691934.db2.gz OXUQGNYGIJFKQU-UHFFFAOYSA-N -1 0 309.326 -0.305 20 0 DBADRM O=C([O-])[C@H]1CCCN1Cc1cn(Cc2ncnn2CCF)nn1 ZINC001605998879 1018691984 /nfs/dbraw/zinc/69/19/84/1018691984.db2.gz OWRKNSXVCKKKLA-LLVKDONJSA-N -1 0 323.332 -0.064 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001606095803 1018717086 /nfs/dbraw/zinc/71/70/86/1018717086.db2.gz BTEHOCZTEJAEOR-VIFPVBQESA-N -1 0 308.356 -0.621 20 0 DBADRM CN(C)C(=O)c1cc(NC(=O)N2CC(O)(C(=O)[O-])C2)ccn1 ZINC001606002888 1018694473 /nfs/dbraw/zinc/69/44/73/1018694473.db2.gz JJSYOFHYYXLGRJ-UHFFFAOYSA-N -1 0 308.294 -0.553 20 0 DBADRM CN(C)C(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001606001780 1018694478 /nfs/dbraw/zinc/69/44/78/1018694478.db2.gz FFBJYSQPJPOIBJ-UHFFFAOYSA-N -1 0 318.355 -0.727 20 0 DBADRM Cc1[nH]nc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)c1C ZINC001606013220 1018694671 /nfs/dbraw/zinc/69/46/71/1018694671.db2.gz IDHTZLZJNWEOIK-SSDOTTSWSA-N -1 0 302.302 -0.002 20 0 DBADRM Cc1nc(N2CCN(c3ccnc(-c4nnn[n-]4)n3)CC2)n[nH]1 ZINC001606012978 1018695145 /nfs/dbraw/zinc/69/51/45/1018695145.db2.gz CVVSQJGKBGNOIK-UHFFFAOYSA-N -1 0 313.329 -0.590 20 0 DBADRM Cc1csc2nc(Cn3cnc(-c4nnn[n-]4)n3)cc(=O)n12 ZINC001606006648 1018695215 /nfs/dbraw/zinc/69/52/15/1018695215.db2.gz ALMWSOYVSQYOSS-UHFFFAOYSA-N -1 0 315.322 -0.116 20 0 DBADRM Cc1nc(C(=O)[N-]N2CCCNC2=O)ccc1-c1nn[nH]n1 ZINC001606029627 1018700939 /nfs/dbraw/zinc/70/09/39/1018700939.db2.gz OEEGLLONJAEELI-UHFFFAOYSA-N -1 0 302.298 -0.370 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@H]2CCCC23OCCO3)CCO1 ZINC001606035455 1018703454 /nfs/dbraw/zinc/70/34/54/1018703454.db2.gz IVPDFPLRBLMOKR-ZJUUUORDSA-N -1 0 300.311 -0.223 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@@H](CF)C(=O)[O-])c1 ZINC001606038540 1018703617 /nfs/dbraw/zinc/70/36/17/1018703617.db2.gz BKMFTQHHNCPCLC-QMMMGPOBSA-N -1 0 307.303 -0.583 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001606044864 1018704957 /nfs/dbraw/zinc/70/49/57/1018704957.db2.gz CYYIMOVRRCYOOK-NIVTXAMTSA-N -1 0 313.401 -0.398 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001606038844 1018705121 /nfs/dbraw/zinc/70/51/21/1018705121.db2.gz GZCKFALVVCIPBG-VIFPVBQESA-N -1 0 323.415 -0.270 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)CN[C@@]1(CC(=O)[O-])CCCOC1 ZINC001606045138 1018705375 /nfs/dbraw/zinc/70/53/75/1018705375.db2.gz GTLXTEOERNTXLW-XUSGNXJCSA-N -1 0 321.399 -0.299 20 0 DBADRM CN(C)c1cc(NC(=O)NCCn2cc(C(=O)[O-])nn2)ncn1 ZINC001606052508 1018705439 /nfs/dbraw/zinc/70/54/39/1018705439.db2.gz UYARSSHQIRTDRY-UHFFFAOYSA-N -1 0 320.313 -0.346 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CN[C@H]2CCO[C@H]2C(=O)[O-])o1 ZINC001606042388 1018705830 /nfs/dbraw/zinc/70/58/30/1018705830.db2.gz IGTHJLVHCPQBII-GXSJLCMTSA-N -1 0 318.351 -0.138 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)Cc1nnc(C2CCOCC2)[nH]1 ZINC001606048084 1018706057 /nfs/dbraw/zinc/70/60/57/1018706057.db2.gz IVQKHGGKEWHDFM-JTQLQIEISA-N -1 0 324.337 -0.447 20 0 DBADRM CN(C)[S@](C)(=O)=NC(=O)Cn1c(=O)cccc1C(=O)[O-] ZINC001606045619 1018706919 /nfs/dbraw/zinc/70/69/19/1018706919.db2.gz PTQMGLIKLKISBG-HXUWFJFHSA-N -1 0 301.324 -0.353 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@H](O)CCC1(O)CCC1 ZINC001606056980 1018707751 /nfs/dbraw/zinc/70/77/51/1018707751.db2.gz IYYNQAQRFIKYIY-GHMZBOCLSA-N -1 0 321.395 -0.774 20 0 DBADRM CCO[C@@H](C)C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001501436084 1018708612 /nfs/dbraw/zinc/70/86/12/1018708612.db2.gz TVEUDBOMXJPJLI-IUCAKERBSA-N -1 0 314.342 -0.944 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CCO[C@H]1CCCCO1 ZINC001606056923 1018709525 /nfs/dbraw/zinc/70/95/25/1018709525.db2.gz GLSIXVQQIPKYIP-MNOVXSKESA-N -1 0 307.368 -0.287 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@H](O)c1ccccc1 ZINC001606053789 1018709572 /nfs/dbraw/zinc/70/95/72/1018709572.db2.gz PEFBWLIMFGYVQF-GHMZBOCLSA-N -1 0 313.331 -0.570 20 0 DBADRM CN(C)c1cccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001606059336 1018709707 /nfs/dbraw/zinc/70/97/07/1018709707.db2.gz FROHCOCYKMRHAQ-NSHDSACASA-N -1 0 313.379 -0.169 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC[S@@](=O)C(F)(F)F ZINC001606056830 1018709804 /nfs/dbraw/zinc/70/98/04/1018709804.db2.gz AVEWGMWJLNTOQW-AHGSNSTDSA-N -1 0 323.314 -0.562 20 0 DBADRM CN(CC(=O)N1CCCC1)C(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001606076133 1018710730 /nfs/dbraw/zinc/71/07/30/1018710730.db2.gz YCNXJKVMUPHVMQ-LLVKDONJSA-N -1 0 323.349 -0.643 20 0 DBADRM CN(C)c1noc(CCC(=O)NC2(C(=O)[O-])CC(CO)C2)n1 ZINC001606069845 1018710785 /nfs/dbraw/zinc/71/07/85/1018710785.db2.gz CNQQLGXVPXHZEF-UHFFFAOYSA-N -1 0 312.326 -0.590 20 0 DBADRM O=C([O-])CC1(C(=O)NOCCN2CCCC2=O)CCOCC1 ZINC001606071489 1018711098 /nfs/dbraw/zinc/71/10/98/1018711098.db2.gz CIUQYQVJLJFINU-UHFFFAOYSA-N -1 0 314.338 -0.072 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CC[C@@](C)(O)C2)cc1-c1nn[nH]n1 ZINC001606092187 1018713219 /nfs/dbraw/zinc/71/32/19/1018713219.db2.gz NUWCFXSFWQPOGE-GFCCVEGCSA-N -1 0 324.366 -0.284 20 0 DBADRM CN(CC(=O)NC1(C(=O)[O-])CCCCC1)CC(C)(CO)CO ZINC001606080530 1018713888 /nfs/dbraw/zinc/71/38/88/1018713888.db2.gz ZWYPEKZBPFPWLC-UHFFFAOYSA-N -1 0 316.398 -0.187 20 0 DBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H](C(=O)[O-])C1CC1 ZINC001606080389 1018714284 /nfs/dbraw/zinc/71/42/84/1018714284.db2.gz AYQJZGGGEGXOCO-MWLCHTKSSA-N -1 0 304.368 -0.915 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)C1 ZINC001606091033 1018714695 /nfs/dbraw/zinc/71/46/95/1018714695.db2.gz WHXDNKKBYGYETH-ZIBATOQPSA-N -1 0 310.350 -0.460 20 0 DBADRM CN(CC(C)(C)O)C(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001606090593 1018715799 /nfs/dbraw/zinc/71/57/99/1018715799.db2.gz NVSVJHGRFAGWJT-AWEZNQCLSA-N -1 0 300.355 -0.071 20 0 DBADRM CN(C[C@H](O)CN1CCOC[C@H]1C(=O)[O-])CC(F)(F)F ZINC001606095705 1018717839 /nfs/dbraw/zinc/71/78/39/1018717839.db2.gz ONZZEXIYBHXBRZ-IUCAKERBSA-N -1 0 300.277 -0.373 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001606185642 1018718369 /nfs/dbraw/zinc/71/83/69/1018718369.db2.gz XMGJFJSJCAKEJC-VHSXEESVSA-N -1 0 311.338 -0.811 20 0 DBADRM CN(c1ccnc(C(=O)[O-])n1)[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001606183673 1018718478 /nfs/dbraw/zinc/71/84/78/1018718478.db2.gz HDQDFSPTFQKMHY-MRVPVSSYSA-N -1 0 318.293 -0.091 20 0 DBADRM O=C([O-])CCC(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 ZINC001606097619 1018718860 /nfs/dbraw/zinc/71/88/60/1018718860.db2.gz HRWXIGRPZWJGSY-LLVKDONJSA-N -1 0 318.395 -0.427 20 0 DBADRM CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001606101563 1018719834 /nfs/dbraw/zinc/71/98/34/1018719834.db2.gz YZBPQDAXZMENKM-LPEHRKFASA-N -1 0 304.318 -0.465 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@@H](C(F)F)C1 ZINC001606105366 1018720625 /nfs/dbraw/zinc/72/06/25/1018720625.db2.gz IABBELWQCFOGGZ-SSDOTTSWSA-N -1 0 302.299 -0.396 20 0 DBADRM CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)c1cc(C(=O)[O-])co1 ZINC001606178301 1018720519 /nfs/dbraw/zinc/72/05/19/1018720519.db2.gz BDKFHJOARFHTGE-UHFFFAOYSA-N -1 0 317.261 -0.019 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001606180778 1018720680 /nfs/dbraw/zinc/72/06/80/1018720680.db2.gz HCZVOQHCHFVXCM-VXGBXAGGSA-N -1 0 315.347 -0.306 20 0 DBADRM CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001606180987 1018720777 /nfs/dbraw/zinc/72/07/77/1018720777.db2.gz TUHDUTJDQAUFDE-GDPRMGEGSA-N -1 0 316.379 -0.126 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H](CCO)C1CCOCC1 ZINC001606105347 1018720952 /nfs/dbraw/zinc/72/09/52/1018720952.db2.gz HGVURIBBTVVVPD-NSHDSACASA-N -1 0 324.399 -0.595 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H](CO)c1cccnc1 ZINC001606106124 1018721125 /nfs/dbraw/zinc/72/11/25/1018721125.db2.gz XFFRLDUSRSMJAH-SNVBAGLBSA-N -1 0 303.340 -0.644 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001606104542 1018721483 /nfs/dbraw/zinc/72/14/83/1018721483.db2.gz CSRQCCKXTXJXLT-WDEREUQCSA-N -1 0 306.384 -0.004 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)NCC(=O)NCC(F)F)CO1 ZINC001606108391 1018722139 /nfs/dbraw/zinc/72/21/39/1018722139.db2.gz UCSJITJONJYFIP-SFYZADRCSA-N -1 0 308.281 -0.246 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCCC[C@H]1C1OCCO1 ZINC001606190368 1018722498 /nfs/dbraw/zinc/72/24/98/1018722498.db2.gz SCYIQFRQNMOORB-VIFPVBQESA-N -1 0 300.311 -0.669 20 0 DBADRM Cc1ncoc1CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001606102482 1018722580 /nfs/dbraw/zinc/72/25/80/1018722580.db2.gz JVKRFEMLLHFYPK-UHFFFAOYSA-N -1 0 318.297 -0.827 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CCN(c3nc[nH]n3)CC2)CO1 ZINC001606108580 1018722661 /nfs/dbraw/zinc/72/26/61/1018722661.db2.gz XGIFUDIIJWTUEK-WDEREUQCSA-N -1 0 323.353 -0.277 20 0 DBADRM CN(CC1(CO)CC1)C(=O)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001606108995 1018722727 /nfs/dbraw/zinc/72/27/27/1018722727.db2.gz UUEKWOTVWCALRZ-UHFFFAOYSA-N -1 0 300.355 -0.166 20 0 DBADRM CN1C(=O)CN(CC(=O)NCCc2ccc(C(=O)[O-])cc2)C1=O ZINC001606189926 1018722515 /nfs/dbraw/zinc/72/25/15/1018722515.db2.gz WVFQBDTVXBEWGQ-UHFFFAOYSA-N -1 0 319.317 -0.063 20 0 DBADRM CN1C(=O)CN(CC(=O)NCc2ncc(C(=O)[O-])s2)C1=O ZINC001606189621 1018722829 /nfs/dbraw/zinc/72/28/29/1018722829.db2.gz OTCBTOOHSHHYFS-UHFFFAOYSA-N -1 0 312.307 -0.649 20 0 DBADRM CN1C(=O)COc2cccc(NC(=O)N3CC(O)(C(=O)[O-])C3)c21 ZINC001606191273 1018723025 /nfs/dbraw/zinc/72/30/25/1018723025.db2.gz IRILHYMYISRHJN-UHFFFAOYSA-N -1 0 321.289 -0.295 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)c3cc(C(=O)[O-])no3)CC2)C1=O ZINC001606194146 1018723429 /nfs/dbraw/zinc/72/34/29/1018723429.db2.gz KLHHXRWBOJEPTA-UHFFFAOYSA-N -1 0 322.277 -0.471 20 0 DBADRM CN1C(=O)NC2(CCN(c3nccnc3C(=O)[O-])CC2)C1=O ZINC001606194540 1018723660 /nfs/dbraw/zinc/72/36/60/1018723660.db2.gz QTVDBKBOOZFWLU-UHFFFAOYSA-N -1 0 305.294 -0.305 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC001606190342 1018723693 /nfs/dbraw/zinc/72/36/93/1018723693.db2.gz QRLLKMGIKLJWRN-GFCCVEGCSA-N -1 0 322.317 -0.117 20 0 DBADRM CN1CC(=O)N(CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)C1=O ZINC001606196148 1018724545 /nfs/dbraw/zinc/72/45/45/1018724545.db2.gz CGSKKDNXOSIOLB-OUAUKWLOSA-N -1 0 323.349 -0.018 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccnn2CC(F)F)CC1=O ZINC001606199760 1018725043 /nfs/dbraw/zinc/72/50/43/1018725043.db2.gz IVLCJYNBBIXPAG-MRVPVSSYSA-N -1 0 316.264 -0.484 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NCc2nnc3n2CCOC3)CO1 ZINC001606112686 1018725663 /nfs/dbraw/zinc/72/56/63/1018725663.db2.gz XTTVCISRXDVTEC-VHSXEESVSA-N -1 0 324.337 -0.306 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cnc3nccn3c2)CC1=O ZINC001606199735 1018725699 /nfs/dbraw/zinc/72/56/99/1018725699.db2.gz IQMYKHJXCPHFBQ-VIFPVBQESA-N -1 0 303.278 -0.903 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)Cn2ncc3ccccc32)CC1=O ZINC001606198866 1018725804 /nfs/dbraw/zinc/72/58/04/1018725804.db2.gz ARIKOPJCQOFNPZ-LBPRGKRZSA-N -1 0 316.317 -0.210 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cnc3cccnn23)CC1=O ZINC001606200423 1018726487 /nfs/dbraw/zinc/72/64/87/1018726487.db2.gz SXZJAIFOEITVRS-SECBINFHSA-N -1 0 303.278 -0.903 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)Cc2c[nH]c3cnccc23)CC1=O ZINC001606200553 1018726520 /nfs/dbraw/zinc/72/65/20/1018726520.db2.gz WUQPIUDBMZOWSQ-GFCCVEGCSA-N -1 0 316.317 -0.141 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)COCc2cc[nH]c(=O)c2)CC1=O ZINC001606200077 1018726653 /nfs/dbraw/zinc/72/66/53/1018726653.db2.gz MNLGDMPQVGFUPO-SNVBAGLBSA-N -1 0 323.305 -0.942 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NCCN2CCNC2=S)CO1 ZINC001606111670 1018728752 /nfs/dbraw/zinc/72/87/52/1018728752.db2.gz MIPCBRHQTXTIFY-VHSXEESVSA-N -1 0 315.395 -0.437 20 0 DBADRM CN(CCCO)C(=O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001606122558 1018729874 /nfs/dbraw/zinc/72/98/74/1018729874.db2.gz OYFAZXWRTLCOME-VIFPVBQESA-N -1 0 304.368 -0.897 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ocnc2C(F)F)CC1=O ZINC001606204476 1018730081 /nfs/dbraw/zinc/73/00/81/1018730081.db2.gz UAPAKODTYZCCCJ-YFKPBYRVSA-N -1 0 303.221 -0.020 20 0 DBADRM CN1C[C@@H](NC(=O)N2CCSC[C@@H](C(=O)[O-])C2)CC1=O ZINC001606201936 1018730161 /nfs/dbraw/zinc/73/01/61/1018730161.db2.gz CWKQLAWYHNPNPA-IUCAKERBSA-N -1 0 301.368 -0.324 20 0 DBADRM CN(CCCNc1ncc(C(=O)[O-])cn1)C(=O)[C@@H]1COCCO1 ZINC001606122330 1018729970 /nfs/dbraw/zinc/72/99/70/1018729970.db2.gz GPHPSANHDWDZGU-NSHDSACASA-N -1 0 324.337 -0.149 20 0 DBADRM CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)c1ccnnc1 ZINC001606122854 1018730271 /nfs/dbraw/zinc/73/02/71/1018730271.db2.gz ZYVYSTFPNWVYQT-UHFFFAOYSA-N -1 0 316.321 -0.039 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C[C@@H](O)CC2(O)CCCC2)CC1=O ZINC001606201658 1018731060 /nfs/dbraw/zinc/73/10/60/1018731060.db2.gz DCITWAJPEXHBCS-WDEREUQCSA-N -1 0 300.355 -0.730 20 0 DBADRM CN(CCNC(=O)C[C@H]1COC(=O)C1)c1ccnc(C(=O)[O-])n1 ZINC001606129652 1018731670 /nfs/dbraw/zinc/73/16/70/1018731670.db2.gz PNKNHNBBCMBVAT-SECBINFHSA-N -1 0 322.321 -0.320 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(F)cc2)CC1=O ZINC001606201648 1018731938 /nfs/dbraw/zinc/73/19/38/1018731938.db2.gz CUAWQAIPFXYCNJ-JTQLQIEISA-N -1 0 316.310 -0.258 20 0 DBADRM CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)c1ncn(C)n1 ZINC001606122336 1018732036 /nfs/dbraw/zinc/73/20/36/1018732036.db2.gz GVYHAEUETXSKRT-UHFFFAOYSA-N -1 0 319.325 -0.701 20 0 DBADRM Cc1noc([C@H](C)N(C)C(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC001606127877 1018732205 /nfs/dbraw/zinc/73/22/05/1018732205.db2.gz HKZZKDLGDBRTHQ-LURJTMIESA-N -1 0 318.301 -0.631 20 0 DBADRM CN1CC[C@@H](CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1=O ZINC001606212354 1018739817 /nfs/dbraw/zinc/73/98/17/1018739817.db2.gz KQABPOBHZABTKT-BBBLOLIVSA-N -1 0 304.368 -0.363 20 0 DBADRM CN(CCNC(=O)CCc1nnc[nH]1)c1ncc(C(=O)[O-])cn1 ZINC001606129905 1018733641 /nfs/dbraw/zinc/73/36/41/1018733641.db2.gz VMEWHNFASRQOJP-UHFFFAOYSA-N -1 0 319.325 -0.522 20 0 DBADRM CN(CCNC(=O)[C@H]1CCCNC1=O)c1ncc(C(=O)[O-])cn1 ZINC001606130783 1018734288 /nfs/dbraw/zinc/73/42/88/1018734288.db2.gz DJXVXBWITXLJAU-JTQLQIEISA-N -1 0 321.337 -0.747 20 0 DBADRM CN(CCNc1ccc2nnnn2n1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001606133632 1018735466 /nfs/dbraw/zinc/73/54/66/1018735466.db2.gz XFZJSBYGPQBTDB-SFYZADRCSA-N -1 0 305.298 -0.890 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@H]2CCCCO2)c(-c2nnn[n-]2)c1=O ZINC001606206071 1018735234 /nfs/dbraw/zinc/73/52/34/1018735234.db2.gz PZHGRQRZWCNSPS-SSDOTTSWSA-N -1 0 307.314 -0.353 20 0 DBADRM CN(CCOCCO)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001606134931 1018736511 /nfs/dbraw/zinc/73/65/11/1018736511.db2.gz JYSRSMHBVBACKW-UHFFFAOYSA-N -1 0 302.371 -0.169 20 0 DBADRM CN(CCO)CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001606134204 1018736570 /nfs/dbraw/zinc/73/65/70/1018736570.db2.gz PSSOGGAGLVNGEF-UHFFFAOYSA-N -1 0 320.342 -0.274 20 0 DBADRM Cn1c(=O)[nH]c(NCc2ccc(N)nc2)c(-c2nnn[n-]2)c1=O ZINC001606206516 1018737562 /nfs/dbraw/zinc/73/75/62/1018737562.db2.gz YUNVBIHXIZRISV-UHFFFAOYSA-N -1 0 315.297 -0.745 20 0 DBADRM Cn1c(=O)cc(Oc2ccc(F)nc2-c2nnn[n-]2)[nH]c1=O ZINC001606206776 1018738214 /nfs/dbraw/zinc/73/82/14/1018738214.db2.gz GBYPADVXIPARRW-UHFFFAOYSA-N -1 0 305.229 -0.008 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)Cc1ccccc1C(=O)[O-] ZINC001606132639 1018738543 /nfs/dbraw/zinc/73/85/43/1018738543.db2.gz AQALLUGVMRWRDL-UHFFFAOYSA-N -1 0 314.363 -0.065 20 0 DBADRM CN(CCNC(=O)[C@H]1CCC(=O)N1C)c1ccnc(C(=O)[O-])n1 ZINC001606130559 1018738906 /nfs/dbraw/zinc/73/89/06/1018738906.db2.gz KIAHSSHLWHYYOU-SECBINFHSA-N -1 0 321.337 -0.652 20 0 DBADRM CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001606143069 1018741922 /nfs/dbraw/zinc/74/19/22/1018741922.db2.gz NSGUOLZKXVBYIL-ZMLRMANQSA-N -1 0 312.366 -0.167 20 0 DBADRM CN1CC[C@@](C)(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])C1=O ZINC001606214540 1018742791 /nfs/dbraw/zinc/74/27/91/1018742791.db2.gz YQKNVYQTKLHYJL-OTYXRUKQSA-N -1 0 314.338 -0.423 20 0 DBADRM O=C([O-])CN(C(=O)C1=CCS(=O)(=O)C1)C1CCOCC1 ZINC001606216177 1018742903 /nfs/dbraw/zinc/74/29/03/1018742903.db2.gz MLLFVMSUIBKXCN-UHFFFAOYSA-N -1 0 303.336 -0.567 20 0 DBADRM CN1CC[C@@H](C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)CC1=O ZINC001606212221 1018743311 /nfs/dbraw/zinc/74/33/11/1018743311.db2.gz LMKGLOULFJVSAP-NXEZZACHSA-N -1 0 312.322 -0.526 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCCCCO2)n(C)c1=O ZINC001606217341 1018744120 /nfs/dbraw/zinc/74/41/20/1018744120.db2.gz IBHVHYQQXGUWQN-UHFFFAOYSA-N -1 0 307.314 -0.814 20 0 DBADRM CN1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccn2)CC1=O ZINC001606218812 1018745931 /nfs/dbraw/zinc/74/59/31/1018745931.db2.gz DFYLKKAKSFSMFV-SECBINFHSA-N -1 0 313.335 -0.321 20 0 DBADRM CN1CC[C@@H](NS(=O)(=O)c2cncc(C(=O)[O-])c2)CC1=O ZINC001606218758 1018746456 /nfs/dbraw/zinc/74/64/56/1018746456.db2.gz AYAKTDYLUGVXHV-SECBINFHSA-N -1 0 313.335 -0.321 20 0 DBADRM Cn1c(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)nnc1C1CC1 ZINC001606217084 1018746475 /nfs/dbraw/zinc/74/64/75/1018746475.db2.gz AKGQKLGXJJSRLA-UHFFFAOYSA-N -1 0 315.301 -0.897 20 0 DBADRM CN1CCC[C@H](C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)C1=O ZINC001606222960 1018755116 /nfs/dbraw/zinc/75/51/16/1018755116.db2.gz LCFBBUYTNZZKPN-VHSXEESVSA-N -1 0 312.322 -0.526 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)C1=O ZINC001606231011 1018757423 /nfs/dbraw/zinc/75/74/23/1018757423.db2.gz BEMXKSOSPVAQPY-PSASIEDQSA-N -1 0 322.321 -0.637 20 0 DBADRM CN1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C[C@H]1CO ZINC001606233633 1018763208 /nfs/dbraw/zinc/76/32/08/1018763208.db2.gz WOUBPTBGMGDAIT-SDDRHHMPSA-N -1 0 300.355 -0.609 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CC[C@H]3CC[C@@H](C2)[S@]3=O)C1=O ZINC001606232740 1018764441 /nfs/dbraw/zinc/76/44/41/1018764441.db2.gz YDWHXQHGFCPQDS-XFQCAGDASA-N -1 0 300.380 -0.343 20 0 DBADRM CN1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)CCC1=O ZINC001606238783 1018769377 /nfs/dbraw/zinc/76/93/77/1018769377.db2.gz AANAOPFOIDEEDD-UHFFFAOYSA-N -1 0 306.322 -0.118 20 0 DBADRM CN1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)[C@@H](CO)C1 ZINC001606239176 1018770007 /nfs/dbraw/zinc/77/00/07/1018770007.db2.gz KAVQHTHMUSWBHO-SNVBAGLBSA-N -1 0 308.338 -0.673 20 0 DBADRM Cn1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)nn1 ZINC001606238597 1018770724 /nfs/dbraw/zinc/77/07/24/1018770724.db2.gz LQHHQACTRFYJFS-UHFFFAOYSA-N -1 0 310.299 -0.933 20 0 DBADRM CN1CCN(CCN(CC(=O)[O-])C(=O)C(=O)C(C)(C)C)CC1 ZINC001606240872 1018771034 /nfs/dbraw/zinc/77/10/34/1018771034.db2.gz HCFOFJOOUDKKQI-UHFFFAOYSA-N -1 0 313.398 -0.238 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC3(C2)CCCOC3)C1=O ZINC001606246654 1018775507 /nfs/dbraw/zinc/77/55/07/1018775507.db2.gz BFFUHQLFUZSSAZ-NSHDSACASA-N -1 0 310.350 -0.051 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC[C@@H](c3ncon3)C2)C1=O ZINC001606247351 1018775545 /nfs/dbraw/zinc/77/55/45/1018775545.db2.gz FXOJTJOKJGJOAX-NXEZZACHSA-N -1 0 322.321 -0.291 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@]3(CNC(=O)C3)C2)C1=O ZINC001606248628 1018775581 /nfs/dbraw/zinc/77/55/81/1018775581.db2.gz ARLZQWUJNXVELO-BONVTDFDSA-N -1 0 323.349 -0.952 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)[C@@H]2CCc3ncncc3C2)C1=O ZINC001606247104 1018775909 /nfs/dbraw/zinc/77/59/09/1018775909.db2.gz FFIPASBTLRYBBU-BXKDBHETSA-N -1 0 319.317 -0.190 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)COc2ccc(CO)cc2)C1=O ZINC001606247077 1018776707 /nfs/dbraw/zinc/77/67/07/1018776707.db2.gz DLJTWSLOXYLQRT-LBPRGKRZSA-N -1 0 323.301 -0.214 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)C1=O ZINC001606249183 1018777282 /nfs/dbraw/zinc/77/72/82/1018777282.db2.gz HGNRMSFVCAHXKU-IUODEOHRSA-N -1 0 321.333 -0.255 20 0 DBADRM CN1CCN(c2ccc(S(C)(=O)=O)cn2)C[C@@H](C(=O)[O-])C1 ZINC001606247460 1018777868 /nfs/dbraw/zinc/77/78/68/1018777868.db2.gz MGDHNAIDRLLGEH-JTQLQIEISA-N -1 0 313.379 -0.062 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1=O ZINC001606251758 1018779297 /nfs/dbraw/zinc/77/92/97/1018779297.db2.gz PQNBMOFVNVKZEJ-GXSJLCMTSA-N -1 0 323.349 -0.811 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1=O ZINC001606251764 1018779518 /nfs/dbraw/zinc/77/95/18/1018779518.db2.gz PQNBMOFVNVKZEJ-ONGXEEELSA-N -1 0 323.349 -0.811 20 0 DBADRM CN1CCO[C@H](C(=O)Nc2ccc(OCC(=O)[O-])cc2)C1=O ZINC001606250714 1018779842 /nfs/dbraw/zinc/77/98/42/1018779842.db2.gz QIOHCEJHRLEQFA-GFCCVEGCSA-N -1 0 308.290 -0.054 20 0 DBADRM CN1CCc2ccc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])cc21 ZINC001606251436 1018779872 /nfs/dbraw/zinc/77/98/72/1018779872.db2.gz RKNNZRHKGSRBJX-SNVBAGLBSA-N -1 0 314.363 -0.207 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C1 ZINC001606251179 1018780479 /nfs/dbraw/zinc/78/04/79/1018780479.db2.gz UPOPKUGSNZORSR-WDEREUQCSA-N -1 0 306.384 -0.414 20 0 DBADRM CN1CN(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)CC1=O ZINC001606252131 1018780637 /nfs/dbraw/zinc/78/06/37/1018780637.db2.gz FZPQBUVABFBFGS-UHFFFAOYSA-N -1 0 320.305 -0.236 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NC[C@H](O)c2cccnc2)C1=O ZINC001606252383 1018780908 /nfs/dbraw/zinc/78/09/08/1018780908.db2.gz XYIJWFQCEZZMBE-NEPJUHHUSA-N -1 0 321.333 -0.446 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC001606251633 1018781098 /nfs/dbraw/zinc/78/10/98/1018781098.db2.gz YIUBZTAZPFYPFR-JTQLQIEISA-N -1 0 308.400 -0.263 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC001606251634 1018781175 /nfs/dbraw/zinc/78/11/75/1018781175.db2.gz YIUBZTAZPFYPFR-SNVBAGLBSA-N -1 0 308.400 -0.263 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCn3nccc3C2)C1=O ZINC001606252554 1018781190 /nfs/dbraw/zinc/78/11/90/1018781190.db2.gz ZTRXJMKWHOZKKC-NSHDSACASA-N -1 0 306.322 -0.452 20 0 DBADRM CN1CCc2ccc(NC(=O)N3CC(O)(C(=O)[O-])C3)cc2C1=O ZINC001606251505 1018781207 /nfs/dbraw/zinc/78/12/07/1018781207.db2.gz UGMMHOTXPQYURK-UHFFFAOYSA-N -1 0 319.317 -0.022 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1=O ZINC001606252113 1018781219 /nfs/dbraw/zinc/78/12/19/1018781219.db2.gz FDDQFSMCQBLNPP-GUBZILKMSA-N -1 0 304.368 -0.220 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)OCC(=O)N2CCCC2)C1=O ZINC001606253333 1018781828 /nfs/dbraw/zinc/78/18/28/1018781828.db2.gz OSPCLIPGVTWCSK-SNVBAGLBSA-N -1 0 312.322 -0.525 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N[C@@H]2CCCOC2)C1=O ZINC001606255240 1018781855 /nfs/dbraw/zinc/78/18/55/1018781855.db2.gz IHRHLTWXWNMXDM-MNOVXSKESA-N -1 0 313.354 -0.070 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NCc2cnccn2)C1=O ZINC001606255396 1018782188 /nfs/dbraw/zinc/78/21/88/1018782188.db2.gz MIASIQSJQCYRES-NSHDSACASA-N -1 0 321.337 -0.259 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N2CCO[C@@H]3C[C@@H]32)C1=O ZINC001606258804 1018782207 /nfs/dbraw/zinc/78/22/07/1018782207.db2.gz XMXPHDQMBQJKOQ-GARJFASQSA-N -1 0 311.338 -0.365 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)CCn2cccn2)C1=O ZINC001606257448 1018782637 /nfs/dbraw/zinc/78/26/37/1018782637.db2.gz MQKXWYRXFYMXON-NSHDSACASA-N -1 0 308.338 -0.145 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N2CCC[C@H]2CO)C1=O ZINC001606258533 1018782674 /nfs/dbraw/zinc/78/26/74/1018782674.db2.gz WLVCZWKJFDRTPB-QWRGUYRKSA-N -1 0 313.354 -0.382 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)CO[C@H]2CCOC2)C1=O ZINC001606257066 1018783293 /nfs/dbraw/zinc/78/32/93/1018783293.db2.gz HYCPQDRNQZNBOA-WDEREUQCSA-N -1 0 314.338 -0.626 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001606259133 1018785409 /nfs/dbraw/zinc/78/54/09/1018785409.db2.gz LXQSRJUACFLILX-JMCQJSRRSA-N -1 0 311.367 -0.713 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001606259134 1018785523 /nfs/dbraw/zinc/78/55/23/1018785523.db2.gz LXQSRJUACFLILX-JVXZTZIISA-N -1 0 311.367 -0.713 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001606262714 1018785544 /nfs/dbraw/zinc/78/55/44/1018785544.db2.gz BONYHZRXARUIAG-MWLCHTKSSA-N -1 0 321.333 -0.423 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1C(=O)[O-] ZINC001606259295 1018786557 /nfs/dbraw/zinc/78/65/57/1018786557.db2.gz GBPARITZQNOEHQ-ZETCQYMHSA-N -1 0 316.335 -0.194 20 0 DBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001606259792 1018787199 /nfs/dbraw/zinc/78/71/99/1018787199.db2.gz SIZIUQMXQGDFTC-UTLUCORTSA-N -1 0 307.354 -0.030 20 0 DBADRM CNC(=O)[C@]1(C)CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001606264568 1018787300 /nfs/dbraw/zinc/78/73/00/1018787300.db2.gz YESNKRWVEZIBDA-OAHLLOKOSA-N -1 0 321.333 -0.469 20 0 DBADRM CNC(=O)[C@H](O)CNS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001606261890 1018787535 /nfs/dbraw/zinc/78/75/35/1018787535.db2.gz ZJFKXKBJRMGQEV-MRVPVSSYSA-N -1 0 316.335 -0.922 20 0 DBADRM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001606264633 1018787573 /nfs/dbraw/zinc/78/75/73/1018787573.db2.gz ZOLHSDJBYXKEDM-NAKRPEOUSA-N -1 0 313.354 -0.215 20 0 DBADRM CNC(=O)CCNC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001606267013 1018788915 /nfs/dbraw/zinc/78/89/15/1018788915.db2.gz KKRYPNGBXPPWOS-MRVPVSSYSA-N -1 0 309.326 -0.149 20 0 DBADRM CNC(=O)[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CCO1 ZINC001606266013 1018789157 /nfs/dbraw/zinc/78/91/57/1018789157.db2.gz GVQQWMMQVYRNSX-MRVPVSSYSA-N -1 0 318.307 -0.887 20 0 DBADRM CNC(=O)C1CN(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)C1 ZINC001606266468 1018790308 /nfs/dbraw/zinc/79/03/08/1018790308.db2.gz WLWSSZPQTOTMMU-UHFFFAOYSA-N -1 0 309.326 -0.088 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001606266800 1018790482 /nfs/dbraw/zinc/79/04/82/1018790482.db2.gz CPCAGAJULCGEGN-UHFFFAOYSA-N -1 0 321.333 -0.153 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)C2=CCCC2)c1[O-] ZINC001501486000 1018791571 /nfs/dbraw/zinc/79/15/71/1018791571.db2.gz BEUBQMBZFXMRPV-JTQLQIEISA-N -1 0 308.338 -0.259 20 0 DBADRM CNC(=O)[C@H]1CN(CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CCO1 ZINC001606266172 1018792696 /nfs/dbraw/zinc/79/26/96/1018792696.db2.gz KGCKLLAXSQCGMI-LLVKDONJSA-N -1 0 323.349 -0.041 20 0 DBADRM O=C([O-])COCC(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC001606273077 1018794522 /nfs/dbraw/zinc/79/45/22/1018794522.db2.gz RRDCJUMOKCWXEM-GFCCVEGCSA-N -1 0 321.333 -0.210 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001606271727 1018795072 /nfs/dbraw/zinc/79/50/72/1018795072.db2.gz YLNFBPIQDRQTMC-UHFFFAOYSA-N -1 0 313.335 -0.102 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC001606271054 1018795835 /nfs/dbraw/zinc/79/58/35/1018795835.db2.gz NQRDVIUZGDNNTQ-HYXAFXHYSA-N -1 0 321.333 -0.119 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cn1 ZINC001606277243 1018799060 /nfs/dbraw/zinc/79/90/60/1018799060.db2.gz FVCUVMRWCGDWGG-PSASIEDQSA-N -1 0 309.326 -0.187 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001606279245 1018799511 /nfs/dbraw/zinc/79/95/11/1018799511.db2.gz DQBHBPCWMSINTJ-NEPJUHHUSA-N -1 0 315.370 -0.672 20 0 DBADRM CNC(=O)Cc1noc(CN[C@@]2(CC(=O)[O-])CCCOC2)n1 ZINC001606277966 1018799923 /nfs/dbraw/zinc/79/99/23/1018799923.db2.gz WGVHEPWHQXCVIP-CYBMUJFWSA-N -1 0 312.326 -0.528 20 0 DBADRM CNC(=O)Cc1noc(CN(CC(=O)[O-])C2CCOCC2)n1 ZINC001606277926 1018800392 /nfs/dbraw/zinc/80/03/92/1018800392.db2.gz UVGGZCZYUPZSGJ-UHFFFAOYSA-N -1 0 312.326 -0.576 20 0 DBADRM CNC(=O)Cn1nc(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)cc1C ZINC001606277775 1018800630 /nfs/dbraw/zinc/80/06/30/1018800630.db2.gz RTHQKCVXCWVAQS-JWKOBGCHSA-N -1 0 324.337 -0.246 20 0 DBADRM CNC(=O)Cc1noc(CN2CCSC[C@H]2CC(=O)[O-])n1 ZINC001606277051 1018800926 /nfs/dbraw/zinc/80/09/26/1018800926.db2.gz AFSKNFHWTRXPOG-MRVPVSSYSA-N -1 0 314.367 -0.250 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NC[C@@H]1CC[C@H](O)C1 ZINC001606284753 1018803508 /nfs/dbraw/zinc/80/35/08/1018803508.db2.gz KDWJMYSTASAKJW-MNOVXSKESA-N -1 0 304.343 -0.436 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001606279410 1018801056 /nfs/dbraw/zinc/80/10/56/1018801056.db2.gz FMYSOZJWBKFZMO-ZCFIWIBFSA-N -1 0 311.269 -0.287 20 0 DBADRM CNC(=O)N[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001606280654 1018801598 /nfs/dbraw/zinc/80/15/98/1018801598.db2.gz JDRIEHZYWHFAIQ-LURJTMIESA-N -1 0 318.311 -0.935 20 0 DBADRM CNC(=O)NCC(=O)NCCCNc1ncc(C(=O)[O-])cn1 ZINC001606280681 1018802003 /nfs/dbraw/zinc/80/20/03/1018802003.db2.gz JTJLTEKDZMUPMJ-UHFFFAOYSA-N -1 0 310.314 -0.978 20 0 DBADRM CNC(=O)NCC(=O)NC[C@@H](Cc1ccccc1OC)C(=O)[O-] ZINC001606280061 1018802048 /nfs/dbraw/zinc/80/20/48/1018802048.db2.gz BVENLHOJZFLAMF-LLVKDONJSA-N -1 0 323.349 -0.016 20 0 DBADRM CNC(=O)NCCC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001606282088 1018802092 /nfs/dbraw/zinc/80/20/92/1018802092.db2.gz WJUYBBRAZQGPIW-UWVGGRQHSA-N -1 0 301.343 -0.308 20 0 DBADRM CNC(=O)NCCC(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC001606281281 1018802217 /nfs/dbraw/zinc/80/22/17/1018802217.db2.gz RUEFMTORMAMZMR-MRVPVSSYSA-N -1 0 300.340 -0.426 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001606279826 1018802434 /nfs/dbraw/zinc/80/24/34/1018802434.db2.gz UWPUQMGCAXJBHK-MRVPVSSYSA-N -1 0 300.336 -0.061 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CCO1 ZINC001606282436 1018802648 /nfs/dbraw/zinc/80/26/48/1018802648.db2.gz ZMWNEWLBDCXOBK-OUAUKWLOSA-N -1 0 313.354 -0.356 20 0 DBADRM Cn1nnnc1CCn1cc(-c2nnn[n-]2)c(=O)c2ccccc21 ZINC001606288805 1018802982 /nfs/dbraw/zinc/80/29/82/1018802982.db2.gz SSFDYYVXCISWFQ-UHFFFAOYSA-N -1 0 323.320 -0.052 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001606284173 1018803670 /nfs/dbraw/zinc/80/36/70/1018803670.db2.gz YOELNDFMRXJPOI-QMMMGPOBSA-N -1 0 307.306 -0.497 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CCN(CC(=O)[O-])CC2)n1 ZINC001606287829 1018803870 /nfs/dbraw/zinc/80/38/70/1018803870.db2.gz KWCNVPRAQKVKDK-UHFFFAOYSA-N -1 0 306.322 -0.716 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC001606284719 1018803901 /nfs/dbraw/zinc/80/39/01/1018803901.db2.gz IAJKPHGGEBKPBT-DMDPSCGWSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])CS(=O)(=O)CCS(=O)(=O)Cc1cncs1 ZINC001606296790 1018804807 /nfs/dbraw/zinc/80/48/07/1018804807.db2.gz NEDFNUYEGSODMP-UHFFFAOYSA-N -1 0 313.378 -0.443 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001606292310 1018805401 /nfs/dbraw/zinc/80/54/01/1018805401.db2.gz HJHUVVSKZAZWSI-LBPRGKRZSA-N -1 0 310.314 -0.071 20 0 DBADRM CNS(=O)(=O)N1CCN(C(=O)C[C@H](C)CC(=O)[O-])CC1 ZINC001606301384 1018806215 /nfs/dbraw/zinc/80/62/15/1018806215.db2.gz FMALKBCMVSWRKH-VIFPVBQESA-N -1 0 307.372 -0.904 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(c2cncc(C(=O)[O-])n2)C1 ZINC001606299047 1018806453 /nfs/dbraw/zinc/80/64/53/1018806453.db2.gz QQBGHZGADGVPGG-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC001606298752 1018806661 /nfs/dbraw/zinc/80/66/61/1018806661.db2.gz FTDZYVFWSRXVSA-UHFFFAOYSA-N -1 0 324.424 -0.266 20 0 DBADRM CNS(=O)(=O)CCCN1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001606302631 1018807174 /nfs/dbraw/zinc/80/71/74/1018807174.db2.gz KZMPMCPHERCYNG-ZJUUUORDSA-N -1 0 322.383 -0.736 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)O[C@H](C(=O)[O-])C2CC2)CC1 ZINC001606301839 1018807214 /nfs/dbraw/zinc/80/72/14/1018807214.db2.gz QTCBQIRSKOKJSA-JTQLQIEISA-N -1 0 320.367 -0.431 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC001606312920 1018807653 /nfs/dbraw/zinc/80/76/53/1018807653.db2.gz CCEPZXGGLLYVQQ-UHFFFAOYSA-N -1 0 319.317 -0.399 20 0 DBADRM CNc1cnc(C(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])cn1 ZINC001606312794 1018807942 /nfs/dbraw/zinc/80/79/42/1018807942.db2.gz CBHYCGOKTDHDEU-SCZZXKLOSA-N -1 0 322.321 -0.003 20 0 DBADRM CNc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])nc1 ZINC001606310409 1018807956 /nfs/dbraw/zinc/80/79/56/1018807956.db2.gz RQJJWXRIIHIKMK-UHFFFAOYSA-N -1 0 322.365 -0.018 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001606303548 1018808053 /nfs/dbraw/zinc/80/80/53/1018808053.db2.gz JFFZIJRLUCNGAQ-KWQFWETISA-N -1 0 307.372 -0.810 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001606303194 1018808346 /nfs/dbraw/zinc/80/83/46/1018808346.db2.gz VZAFFLIQMXWILE-ZJUUUORDSA-N -1 0 321.399 -0.132 20 0 DBADRM CNc1nc(C)cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])n1 ZINC001606314734 1018809183 /nfs/dbraw/zinc/80/91/83/1018809183.db2.gz ZEHLZGGDLZALEN-YUMQZZPRSA-N -1 0 309.326 -0.466 20 0 DBADRM CNc1ncnc2cc(C(=O)NCC(=O)NCC(=O)[O-])ccc21 ZINC001606314990 1018809261 /nfs/dbraw/zinc/80/92/61/1018809261.db2.gz FFHKCBJYLRIKRV-UHFFFAOYSA-N -1 0 317.305 -0.398 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001606321533 1018810132 /nfs/dbraw/zinc/81/01/32/1018810132.db2.gz MMVGJUKUYOPLIY-KXUCPTDWSA-N -1 0 323.367 -0.548 20 0 DBADRM CNc1nnc(CC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)s1 ZINC001606315104 1018809615 /nfs/dbraw/zinc/80/96/15/1018809615.db2.gz IHUHSZNUMUFLNE-RQJHMYQMSA-N -1 0 300.340 -0.584 20 0 DBADRM COC(=O)[C@](C)(CO)NCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606318257 1018809581 /nfs/dbraw/zinc/80/95/81/1018809581.db2.gz JDXROYQYFQHJSW-ZDUSSCGKSA-N -1 0 311.294 -0.768 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001606321487 1018809667 /nfs/dbraw/zinc/80/96/67/1018809667.db2.gz LEFJRSWTVLVXBA-YIZRAAEISA-N -1 0 309.340 -0.701 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)/C=C\CN1CCOCC1 ZINC001606324093 1018810017 /nfs/dbraw/zinc/81/00/17/1018810017.db2.gz UGQFOLMJINEPCK-MXQLGCADSA-N -1 0 300.311 -0.993 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC001606324818 1018810655 /nfs/dbraw/zinc/81/06/55/1018810655.db2.gz XTERCDMBPQFQLX-KOLCDFICSA-N -1 0 322.317 -0.063 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@@H](CO)c2ccc(F)cc2)nn1 ZINC001606326872 1018810976 /nfs/dbraw/zinc/81/09/76/1018810976.db2.gz YVJIWRMMJSCJSU-NSHDSACASA-N -1 0 308.269 -0.035 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)C[C@H]1CCCOC1 ZINC001606324189 1018811497 /nfs/dbraw/zinc/81/14/97/1018811497.db2.gz AEGKGEJMGLOSKH-DTWKUNHWSA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)N1CCSCC1 ZINC001606324866 1018811089 /nfs/dbraw/zinc/81/10/89/1018811089.db2.gz YBZTZBCWBXXJKS-IUCAKERBSA-N -1 0 304.368 -0.444 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCNC(=O)CC23CCC3)nn1 ZINC001606326905 1018811177 /nfs/dbraw/zinc/81/11/77/1018811177.db2.gz ZPSSURUGEHYWJL-UHFFFAOYSA-N -1 0 307.310 -0.753 20 0 DBADRM COC(=O)[C@H](CCC1OCCO1)NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606330624 1018811419 /nfs/dbraw/zinc/81/14/19/1018811419.db2.gz CASYDXLFIMKHAU-AEJSXWLSSA-N -1 0 315.322 -0.092 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)COCc1cc(C)no1 ZINC001606324561 1018811593 /nfs/dbraw/zinc/81/15/93/1018811593.db2.gz URADOLYJRHNRKY-VIFPVBQESA-N -1 0 300.267 -0.368 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1c(C)n[nH]c1C ZINC001606324289 1018811881 /nfs/dbraw/zinc/81/18/81/1018811881.db2.gz BDKXFOMRBXMODF-SSDOTTSWSA-N -1 0 305.312 -0.679 20 0 DBADRM COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)COCC(=O)[O-] ZINC001606331958 1018812185 /nfs/dbraw/zinc/81/21/85/1018812185.db2.gz NXKCSPJXIQZRTI-VHSXEESVSA-N -1 0 303.311 -0.438 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCC2(O)CCCC2)n1 ZINC001606341634 1018812325 /nfs/dbraw/zinc/81/23/25/1018812325.db2.gz XIMXAVQQUBCMIR-UHFFFAOYSA-N -1 0 310.310 -0.673 20 0 DBADRM COC(=O)[C@H](NC(=O)Cn1cc(C(=O)[O-])cn1)c1ccn(C)n1 ZINC001606332874 1018812390 /nfs/dbraw/zinc/81/23/90/1018812390.db2.gz PQKRRRJELVAMLU-LLVKDONJSA-N -1 0 321.293 -0.655 20 0 DBADRM COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)COCC(=O)[O-] ZINC001606331703 1018813323 /nfs/dbraw/zinc/81/33/23/1018813323.db2.gz NXKCSPJXIQZRTI-UWVGGRQHSA-N -1 0 303.311 -0.438 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC001606332421 1018813339 /nfs/dbraw/zinc/81/33/39/1018813339.db2.gz KHIJQFGKYANZRO-BBBLOLIVSA-N -1 0 303.311 -0.345 20 0 DBADRM COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001606348443 1018814176 /nfs/dbraw/zinc/81/41/76/1018814176.db2.gz WXJJYQGPQBJKSC-RBQUTUCGSA-N -1 0 315.322 -0.202 20 0 DBADRM COC(=O)[C@@]1(C)C[C@H](OC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CN1C ZINC001606347533 1018814597 /nfs/dbraw/zinc/81/45/97/1018814597.db2.gz HAULGFAKIMVLBG-LFNDISMMSA-N -1 0 315.322 -0.202 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCc3n[nH]nc3C2)c1=O ZINC001606350502 1018814809 /nfs/dbraw/zinc/81/48/09/1018814809.db2.gz LNQGOMKCOXBAAA-UHFFFAOYSA-N -1 0 303.278 -0.751 20 0 DBADRM COC(=O)C1(NC(=O)[C@H](C)NC(C)=O)CCC(C(=O)[O-])CC1 ZINC001606352718 1018814883 /nfs/dbraw/zinc/81/48/83/1018814883.db2.gz HJKJOZIPMNXYBI-BQDOLQKVSA-N -1 0 314.338 -0.186 20 0 DBADRM COC(=O)C1(NC(=O)[C@@H](C)NC(C)=O)CCC(C(=O)[O-])CC1 ZINC001606352719 1018816676 /nfs/dbraw/zinc/81/66/76/1018816676.db2.gz HJKJOZIPMNXYBI-CCMBEOLZSA-N -1 0 314.338 -0.186 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@H](CO)[C@H]2CCCOC2)c1=O ZINC001606355227 1018816747 /nfs/dbraw/zinc/81/67/47/1018816747.db2.gz MJXOPGCAVSDJEL-JQWIXIFHSA-N -1 0 324.333 -0.550 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN1CCOC1=O ZINC001606369548 1018817447 /nfs/dbraw/zinc/81/74/47/1018817447.db2.gz DWQIELCRNAOMAH-IUCAKERBSA-N -1 0 314.294 -0.697 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1c[nH]c(=O)n1C ZINC001606370014 1018817660 /nfs/dbraw/zinc/81/76/60/1018817660.db2.gz JAERRHRKAMUHJQ-HTQZYQBOSA-N -1 0 311.294 -0.396 20 0 DBADRM COC(=O)[C@H]1CC(=O)N(CN2CCSC[C@@H](C(=O)[O-])C2)C1 ZINC001606374335 1018817749 /nfs/dbraw/zinc/81/77/49/1018817749.db2.gz ZDDZZBPLDUBSIO-UWVGGRQHSA-N -1 0 316.379 -0.285 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H](C)n1cncn1 ZINC001606371169 1018817783 /nfs/dbraw/zinc/81/77/83/1018817783.db2.gz NJYYTSOUKCYSJD-BBBLOLIVSA-N -1 0 310.310 -0.296 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)Cn1cccnc1=O ZINC001606369832 1018818137 /nfs/dbraw/zinc/81/81/37/1018818137.db2.gz HVBZHMZVCZGLOI-VHSXEESVSA-N -1 0 323.305 -0.892 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCCn1cncn1 ZINC001606371552 1018818186 /nfs/dbraw/zinc/81/81/86/1018818186.db2.gz TYAYARAAXDPNAP-QWRGUYRKSA-N -1 0 324.337 -0.077 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1c[nH]c(=O)n1C ZINC001606370015 1018818339 /nfs/dbraw/zinc/81/83/39/1018818339.db2.gz JAERRHRKAMUHJQ-JGVFFNPUSA-N -1 0 311.294 -0.396 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@H]1COCCO1 ZINC001606383334 1018818672 /nfs/dbraw/zinc/81/86/72/1018818672.db2.gz DTGIRRYBKJTNKV-KXUCPTDWSA-N -1 0 301.295 -0.733 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCN2CCOC2=O)C1 ZINC001606382779 1018818802 /nfs/dbraw/zinc/81/88/02/1018818802.db2.gz SYHGIYXPVBMGQP-SECBINFHSA-N -1 0 306.340 -0.435 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1ccnn1C ZINC001606384296 1018818924 /nfs/dbraw/zinc/81/89/24/1018818924.db2.gz NVSFJOQLGZGCDR-ONGXEEELSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1 ZINC001606377929 1018819179 /nfs/dbraw/zinc/81/91/79/1018819179.db2.gz NPHQKKLRSHDSKZ-FOGDFJRCSA-N -1 0 316.354 -0.932 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)NCCCCC(=O)[O-])C1 ZINC001606378855 1018819265 /nfs/dbraw/zinc/81/92/65/1018819265.db2.gz XFGLCGFLFIBSDN-NXEZZACHSA-N -1 0 302.327 -0.193 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCCC(N)=O ZINC001606383745 1018819407 /nfs/dbraw/zinc/81/94/07/1018819407.db2.gz JNSHXLFLBHONTE-NXEZZACHSA-N -1 0 314.338 -0.103 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@H]1CCCC(=O)N1 ZINC001606383074 1018819497 /nfs/dbraw/zinc/81/94/97/1018819497.db2.gz BCKFQPSJKXJKPB-BBBLOLIVSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)[C@H]1C[C@H](OC(=O)Cn2cc(C(=O)[O-])cn2)CN1C ZINC001606378742 1018819856 /nfs/dbraw/zinc/81/98/56/1018819856.db2.gz VMDUYEGCAPMEDU-VHSXEESVSA-N -1 0 311.294 -0.630 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCO[C@H]1CCOC1 ZINC001606387930 1018820741 /nfs/dbraw/zinc/82/07/41/1018820741.db2.gz ACJNVNQYMIRRHZ-UWVGGRQHSA-N -1 0 308.356 -0.825 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCn1ccnn1 ZINC001606385589 1018820795 /nfs/dbraw/zinc/82/07/95/1018820795.db2.gz USZGQOAGCAEIMF-NXEZZACHSA-N -1 0 310.310 -0.467 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cccc(=O)n2C)C1 ZINC001606390908 1018820844 /nfs/dbraw/zinc/82/08/44/1018820844.db2.gz CTHZNTOJNMYVPK-GXSJLCMTSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@]2(F)CCOC2)C1 ZINC001606390356 1018821000 /nfs/dbraw/zinc/82/10/00/1018821000.db2.gz RENSXPNBYYLIQG-ZDMBXUJBSA-N -1 0 303.286 -0.020 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc[n+]([O-])cc1 ZINC001606385364 1018821111 /nfs/dbraw/zinc/82/11/11/1018821111.db2.gz ILNBHEYCOFITMP-MNOVXSKESA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001606392481 1018822263 /nfs/dbraw/zinc/82/22/63/1018822263.db2.gz OANYOLQRAYOMFL-WDEREUQCSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001606392103 1018822458 /nfs/dbraw/zinc/82/24/58/1018822458.db2.gz MAKGYXSXZCEPNH-BBBLOLIVSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@H]1C ZINC001606403061 1018824797 /nfs/dbraw/zinc/82/47/97/1018824797.db2.gz DRJXPWDYJCNFLI-XKNYDFJKSA-N -1 0 312.322 -0.624 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H](C)n2cncn2)[C@H](C(=O)[O-])C1 ZINC001606403458 1018825041 /nfs/dbraw/zinc/82/50/41/1018825041.db2.gz IJWLVVCTLIGBIY-BBBLOLIVSA-N -1 0 310.310 -0.296 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1 ZINC001606402924 1018825058 /nfs/dbraw/zinc/82/50/58/1018825058.db2.gz HZBKPFRZOBQTAE-ZJUUUORDSA-N -1 0 312.322 -0.669 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCCn2cncn2)[C@H](C(=O)[O-])C1 ZINC001606402305 1018825100 /nfs/dbraw/zinc/82/51/00/1018825100.db2.gz BRIQIFGTWGCWAA-MNOVXSKESA-N -1 0 324.337 -0.077 20 0 DBADRM NC(=O)[C@H]1CN(c2nc(-c3nnn[n-]3)c(Cl)s2)CCO1 ZINC001606409812 1018826481 /nfs/dbraw/zinc/82/64/81/1018826481.db2.gz WXFXLWYWSYGNKD-SCSAIBSYSA-N -1 0 315.746 -0.333 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2nccnc2N)[C@@H](C(=O)[O-])C1 ZINC001606408220 1018826493 /nfs/dbraw/zinc/82/64/93/1018826493.db2.gz AVASNGDCMWCEKS-JGVFFNPUSA-N -1 0 308.294 -0.463 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2ccc(=O)n(C)c2)[C@@H](C(=O)[O-])C1 ZINC001606406877 1018826653 /nfs/dbraw/zinc/82/66/53/1018826653.db2.gz JQIYKPKLTJLCJF-GXSJLCMTSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2c[nH]c(=O)n2C)[C@@H](C(=O)[O-])C1 ZINC001606406356 1018826774 /nfs/dbraw/zinc/82/67/74/1018826774.db2.gz DYHAPUDDJLSADC-JGVFFNPUSA-N -1 0 311.294 -0.396 20 0 DBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)C2COC2)[C@@H](C(=O)[O-])C1 ZINC001606413509 1018827651 /nfs/dbraw/zinc/82/76/51/1018827651.db2.gz CPCHWFHKVWJGAT-VXNVDRBHSA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)[C@@H]1CCS(=O)(=O)N1Cc1nc(C(=O)[O-])cs1 ZINC001606415534 1018828306 /nfs/dbraw/zinc/82/83/06/1018828306.db2.gz HCHSLTRCWUULFO-ZETCQYMHSA-N -1 0 320.348 -0.082 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCCn2cccn2)C[C@H]1C(=O)[O-] ZINC001606416440 1018829313 /nfs/dbraw/zinc/82/93/13/1018829313.db2.gz BOICXCAIXIBELC-MNOVXSKESA-N -1 0 309.322 -0.005 20 0 DBADRM NC(=O)CO[N-]C(=O)C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001606416682 1018829618 /nfs/dbraw/zinc/82/96/18/1018829618.db2.gz DDCZFDMVZCQLQL-UHFFFAOYSA-N -1 0 302.294 -0.569 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C2CCN(OC)CC2)C[C@H]1C(=O)[O-] ZINC001606415891 1018830105 /nfs/dbraw/zinc/83/01/05/1018830105.db2.gz JTJWMLSOTQNKHW-GHMZBOCLSA-N -1 0 314.338 -0.408 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)/C=C\c2cn(C)cn2)C[C@@H]1C(=O)[O-] ZINC001606415930 1018830135 /nfs/dbraw/zinc/83/01/35/1018830135.db2.gz KCQULEWLSCIZKH-CBZSPVTBSA-N -1 0 307.306 -0.235 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CO[C@@H](C)C2)C[C@H]1C(=O)[O-] ZINC001606417477 1018830313 /nfs/dbraw/zinc/83/03/13/1018830313.db2.gz IARGEHHKTWYOPU-AXTSPUMRSA-N -1 0 300.311 -0.321 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2cn(C)cn2)C[C@@H]1C(=O)[O-] ZINC001606420641 1018830798 /nfs/dbraw/zinc/83/07/98/1018830798.db2.gz IIVQBAFCBXPRHQ-UWVGGRQHSA-N -1 0 310.310 -0.565 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2ncoc2C)C[C@H]1C(=O)[O-] ZINC001606420347 1018831154 /nfs/dbraw/zinc/83/11/54/1018831154.db2.gz GVJIIDBNBWJOGT-BDAKNGLRSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@@H]1C(=O)[O-] ZINC001606420452 1018831382 /nfs/dbraw/zinc/83/13/82/1018831382.db2.gz UWEXGTJVFRHXPE-WDEREUQCSA-N -1 0 309.322 -0.397 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cc3ncccn3n2)C[C@@H]1C(=O)[O-] ZINC001606422190 1018831792 /nfs/dbraw/zinc/83/17/92/1018831792.db2.gz NGICGLGSSBIEAX-IUCAKERBSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCCC(C)(C)O)C[C@H]1C(=O)[O-] ZINC001606421744 1018832013 /nfs/dbraw/zinc/83/20/13/1018832013.db2.gz KWHXOARCLSMGBQ-RKDXNWHRSA-N -1 0 302.327 -0.337 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cc2cncc(O)c2)C[C@@H]1C(=O)[O-] ZINC001606420488 1018832021 /nfs/dbraw/zinc/83/20/21/1018832021.db2.gz VFRAPPVVILFZAE-QWRGUYRKSA-N -1 0 308.290 -0.338 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NC[C@H]2C[C@H](OC)C2)C[C@H]1C(=O)[O-] ZINC001606425013 1018832607 /nfs/dbraw/zinc/83/26/07/1018832607.db2.gz ZGPFFMMLJUPZAB-DBIOUOCHSA-N -1 0 314.338 -0.073 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NOC[C@H]2CCOC2)C[C@@H]1C(=O)[O-] ZINC001606423809 1018833018 /nfs/dbraw/zinc/83/30/18/1018833018.db2.gz SINSPXPBCDSQRL-LPEHRKFASA-N -1 0 316.310 -0.530 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2cc(C)no2)C[C@@H]1C(=O)[O-] ZINC001606423362 1018833263 /nfs/dbraw/zinc/83/32/63/1018833263.db2.gz PXZOTUHJDJJNLE-UWVGGRQHSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2nnc(C3CC3)o2)C[C@H]1C(=O)[O-] ZINC001606424694 1018833316 /nfs/dbraw/zinc/83/33/16/1018833316.db2.gz ABXSHYRPURAZFK-HTQZYQBOSA-N -1 0 309.278 -0.107 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2nocc2C)C[C@@H]1C(=O)[O-] ZINC001606424651 1018833378 /nfs/dbraw/zinc/83/33/78/1018833378.db2.gz XNZIYPACHWNJRZ-IUCAKERBSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@@H]1C(=O)[O-] ZINC001606425205 1018833384 /nfs/dbraw/zinc/83/33/84/1018833384.db2.gz GCPZHSQDHMOADN-JGVFFNPUSA-N -1 0 309.278 -0.569 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H]2C[C@H](OC)C2)C[C@@H]1C(=O)[O-] ZINC001606425016 1018833570 /nfs/dbraw/zinc/83/35/70/1018833570.db2.gz ZGPFFMMLJUPZAB-XWLWVQCSSA-N -1 0 314.338 -0.073 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@H]1C(=O)[O-] ZINC001606423954 1018833751 /nfs/dbraw/zinc/83/37/51/1018833751.db2.gz XNFBJFCWPIHAOV-RQJHMYQMSA-N -1 0 319.277 -0.701 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@H](NC(C)=O)C(C)C)C[C@H]1C(=O)[O-] ZINC001606423240 1018833783 /nfs/dbraw/zinc/83/37/83/1018833783.db2.gz QTTQQAAETYSESU-OUAUKWLOSA-N -1 0 314.338 -0.521 20 0 DBADRM COC(=O)[C@H]1CN(Cn2cc3[nH]cccc-3c2=O)C[C@@H]1C(=O)[O-] ZINC001606429891 1018834190 /nfs/dbraw/zinc/83/41/90/1018834190.db2.gz LSUVSYNWZOBLKJ-QWRGUYRKSA-N -1 0 319.317 -0.200 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccn3nccc3n2)C[C@@H]1C(=O)[O-] ZINC001606427686 1018834345 /nfs/dbraw/zinc/83/43/45/1018834345.db2.gz ZNOXIWDNQJEWQE-IUCAKERBSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@@H]1CSCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001606429072 1018834425 /nfs/dbraw/zinc/83/44/25/1018834425.db2.gz LVPPLGPEGDIXOV-VIFPVBQESA-N -1 0 311.319 -0.095 20 0 DBADRM COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@@H](C)CC(=O)[O-] ZINC001606430323 1018834772 /nfs/dbraw/zinc/83/47/72/1018834772.db2.gz ADDFHHPVUGCOBW-BDAKNGLRSA-N -1 0 321.351 -0.714 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccn3nccc3n2)C[C@H]1C(=O)[O-] ZINC001606427684 1018835268 /nfs/dbraw/zinc/83/52/68/1018835268.db2.gz ZNOXIWDNQJEWQE-BDAKNGLRSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@@H]1CN(Cn2cc3[nH]cccc-3c2=O)C[C@@H]1C(=O)[O-] ZINC001606429894 1018835332 /nfs/dbraw/zinc/83/53/32/1018835332.db2.gz LSUVSYNWZOBLKJ-WDEREUQCSA-N -1 0 319.317 -0.200 20 0 DBADRM COC(=O)[C@H]1COCCN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001606432319 1018835998 /nfs/dbraw/zinc/83/59/98/1018835998.db2.gz RCJVXLKRMILPKN-HBNTYKKESA-N -1 0 315.322 -0.343 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)CCOCC1CC1)C2 ZINC001606433146 1018836342 /nfs/dbraw/zinc/83/63/42/1018836342.db2.gz GORFZCBSJWRGEN-AAEUAGOBSA-N -1 0 319.379 -0.224 20 0 DBADRM COC(=O)[C@H]1CN(c2nnc(CC(F)F)n2C)C[C@@H]1C(=O)[O-] ZINC001606434179 1018836570 /nfs/dbraw/zinc/83/65/70/1018836570.db2.gz ZRRKYYPYAAQSRW-BQBZGAKWSA-N -1 0 318.280 -0.067 20 0 DBADRM COC(=O)[C@@H]1CN(c2nnc(CC(F)F)n2C)C[C@@H]1C(=O)[O-] ZINC001606434181 1018836838 /nfs/dbraw/zinc/83/68/38/1018836838.db2.gz ZRRKYYPYAAQSRW-NKWVEPMBSA-N -1 0 318.280 -0.067 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc(C(=O)OC)n1C)C(=O)[O-] ZINC001606442654 1018837967 /nfs/dbraw/zinc/83/79/67/1018837967.db2.gz YYVSSGPSFGVRET-ZETCQYMHSA-N -1 0 312.278 -0.442 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(c2cncc(-c3nn[nH]n3)n2)C1 ZINC001606442848 1018838098 /nfs/dbraw/zinc/83/80/98/1018838098.db2.gz YLHVXLHRGVHTBI-MRVPVSSYSA-N -1 0 324.370 -0.838 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)C[C@H]1CCCOC1)C(=O)[O-] ZINC001606441888 1018839229 /nfs/dbraw/zinc/83/92/29/1018839229.db2.gz DSYDRGHCILHTJB-IUCAKERBSA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)CC1 ZINC001606445778 1018839624 /nfs/dbraw/zinc/83/96/24/1018839624.db2.gz VQEKQVNTZGHALT-GFCCVEGCSA-N -1 0 321.351 -0.819 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCO1 ZINC001606446653 1018839651 /nfs/dbraw/zinc/83/96/51/1018839651.db2.gz CDVHCGGUIJSQFX-GUBZILKMSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc(C(=O)[O-])n1 ZINC001606447465 1018839770 /nfs/dbraw/zinc/83/97/70/1018839770.db2.gz ZZKCVUJQYLPMFG-JTQLQIEISA-N -1 0 321.289 -0.717 20 0 DBADRM O=C(CC1CC1)NC/C=C\CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001501626104 1018842542 /nfs/dbraw/zinc/84/25/42/1018842542.db2.gz AXSJGWUJAQLZNI-UPHRSURJSA-N -1 0 309.326 -0.722 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1)C(=O)[O-] ZINC001606458778 1018843645 /nfs/dbraw/zinc/84/36/45/1018843645.db2.gz RWGJQNOCFLTIST-KXUCPTDWSA-N -1 0 314.338 -0.199 20 0 DBADRM COC(=O)COC(=O)[C@H]1CC=CC[C@H]1C(=O)OCC(=O)[O-] ZINC001606471078 1018844765 /nfs/dbraw/zinc/84/47/65/1018844765.db2.gz WMNDGECNTKOPRN-BDAKNGLRSA-N -1 0 300.263 -0.087 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001606464789 1018844861 /nfs/dbraw/zinc/84/48/61/1018844861.db2.gz NGQXKGJUIPPFCI-SNVBAGLBSA-N -1 0 309.322 -0.160 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cnc([C@@H](C)O)s1 ZINC001606468231 1018845151 /nfs/dbraw/zinc/84/51/51/1018845151.db2.gz SLEILGGVUMHAMI-ZCFIWIBFSA-N -1 0 302.308 -0.104 20 0 DBADRM COC(=O)COCC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001606470982 1018845290 /nfs/dbraw/zinc/84/52/90/1018845290.db2.gz RGPGVWQMDZKRER-BDAKNGLRSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)c1cc(C(=O)[O-])ccn1 ZINC001606468690 1018845527 /nfs/dbraw/zinc/84/55/27/1018845527.db2.gz USQYDXQEQXKMCC-UHFFFAOYSA-N -1 0 310.262 -0.432 20 0 DBADRM COC(=O)COCC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001606470720 1018845733 /nfs/dbraw/zinc/84/57/33/1018845733.db2.gz DBHMRHZNRJDRKG-IUCAKERBSA-N -1 0 317.294 -0.959 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCc1nc(N(C)C)no1 ZINC001606465048 1018845815 /nfs/dbraw/zinc/84/58/15/1018845815.db2.gz RXLHRCKIKMRTML-UHFFFAOYSA-N -1 0 314.298 -0.846 20 0 DBADRM COCC(=O)NC/C=C/CNC(=O)c1c[n-]n2c1nccc2=O ZINC001501634872 1018846071 /nfs/dbraw/zinc/84/60/71/1018846071.db2.gz PAAFNPPHPQDYPM-NSCUHMNNSA-N -1 0 319.321 -0.929 20 0 DBADRM COC(=O)N(C)CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001606486351 1018846576 /nfs/dbraw/zinc/84/65/76/1018846576.db2.gz LZDIAQBROBFXLV-IUCAKERBSA-N -1 0 315.326 -0.878 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCS(=O)(=O)CCO2)cn1 ZINC001606471654 1018846590 /nfs/dbraw/zinc/84/65/90/1018846590.db2.gz KHZNYPABOYFUBR-UHFFFAOYSA-N -1 0 300.292 -0.418 20 0 DBADRM O=C(/C=C/C1CCOCC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001606480126 1018846669 /nfs/dbraw/zinc/84/66/69/1018846669.db2.gz IJDGKMFDEUMFRU-OWOJBTEDSA-N -1 0 318.341 -0.443 20 0 DBADRM COC(=O)CSCCC(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001606475024 1018846931 /nfs/dbraw/zinc/84/69/31/1018846931.db2.gz ZVJUAGTUWQFUMT-NSHDSACASA-N -1 0 315.351 -0.042 20 0 DBADRM COC(=O)N(C)CCCC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001606486354 1018846981 /nfs/dbraw/zinc/84/69/81/1018846981.db2.gz LZOHUFQZIUHYBB-GXSJLCMTSA-N -1 0 302.327 -0.099 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)CCN1C(=O)CCC1=O ZINC001606501462 1018848157 /nfs/dbraw/zinc/84/81/57/1018848157.db2.gz DAEPHYZAWDQOBY-SSDOTTSWSA-N -1 0 301.251 -0.915 20 0 DBADRM COC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1 ZINC001606491469 1018848356 /nfs/dbraw/zinc/84/83/56/1018848356.db2.gz IUPCFHCAGXPIBN-UHFFFAOYSA-N -1 0 318.311 -0.819 20 0 DBADRM COC(=O)[C@@H](C)N(C)C(=O)COCc1ocnc1C(=O)[O-] ZINC001606500391 1018848465 /nfs/dbraw/zinc/84/84/65/1018848465.db2.gz BYXCHVBOKUGGLQ-SSDOTTSWSA-N -1 0 300.267 -0.091 20 0 DBADRM COC(=O)N(C)CCN(C)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606486419 1018848606 /nfs/dbraw/zinc/84/86/06/1018848606.db2.gz OKVAWNVIXCDYOK-DTORHVGOSA-N -1 0 315.326 -0.878 20 0 DBADRM COC(=O)Nc1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001606498427 1018848637 /nfs/dbraw/zinc/84/86/37/1018848637.db2.gz WJXKIRAHMKBBIK-UHFFFAOYSA-N -1 0 309.278 -0.205 20 0 DBADRM O=C(C=Cc1ccncn1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001606487127 1018848807 /nfs/dbraw/zinc/84/88/07/1018848807.db2.gz GUFAUPWKIUZQLY-OWOJBTEDSA-N -1 0 312.297 -0.922 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)c1cnc([O-])n(C)c1=O ZINC001501657280 1018848798 /nfs/dbraw/zinc/84/87/98/1018848798.db2.gz VUMCOHSBOQYYQV-HIHHVFROSA-N -1 0 320.349 -0.456 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)[C@@H](C)Sc1nncn1C ZINC001606501233 1018848934 /nfs/dbraw/zinc/84/89/34/1018848934.db2.gz OLDPQHPNSOTKNG-RNFRBKRXSA-N -1 0 317.323 -0.145 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001606501931 1018849263 /nfs/dbraw/zinc/84/92/63/1018849263.db2.gz VDZFJWIHYMKASP-XHNCKOQMSA-N -1 0 300.311 -0.576 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CNC(=O)c1ccccc1 ZINC001606505838 1018849332 /nfs/dbraw/zinc/84/93/32/1018849332.db2.gz WPBYTDWIPIZRBK-LLVKDONJSA-N -1 0 322.317 -0.061 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001606501928 1018849349 /nfs/dbraw/zinc/84/93/49/1018849349.db2.gz VDZFJWIHYMKASP-DJLDLDEBSA-N -1 0 300.311 -0.576 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)COc1c(C)nn(C)c1C ZINC001606501936 1018849585 /nfs/dbraw/zinc/84/95/85/1018849585.db2.gz VKGJQLZOWUGTDQ-SECBINFHSA-N -1 0 314.294 -0.025 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCNC(=O)CC1 ZINC001606505822 1018849710 /nfs/dbraw/zinc/84/97/10/1018849710.db2.gz VXPBKWKPNUCERQ-RKDXNWHRSA-N -1 0 300.311 -0.575 20 0 DBADRM COC(=O)[C@@H](NC(=O)CN1CCSC[C@H]1C(=O)[O-])C(C)C ZINC001606505933 1018849934 /nfs/dbraw/zinc/84/99/34/1018849934.db2.gz OFGNVRFNYVVMNL-ONGXEEELSA-N -1 0 318.395 -0.198 20 0 DBADRM COC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606506773 1018849985 /nfs/dbraw/zinc/84/99/85/1018849985.db2.gz KMTVSHGZRHJXMB-RQJHMYQMSA-N -1 0 317.323 -0.272 20 0 DBADRM O=C(CC1OCCO1)NCCNc1ccc(-c2nn[nH]n2)cn1 ZINC001606507912 1018850117 /nfs/dbraw/zinc/85/01/17/1018850117.db2.gz QDVZZASGZOAJBB-UHFFFAOYSA-N -1 0 319.325 -0.447 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606506808 1018850361 /nfs/dbraw/zinc/85/03/61/1018850361.db2.gz MPKMPDIGXRAMBD-KXUCPTDWSA-N -1 0 322.321 -0.051 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CN1CCSC1=O ZINC001606505830 1018850555 /nfs/dbraw/zinc/85/05/55/1018850555.db2.gz WAQPJWAABSXFOS-SSDOTTSWSA-N -1 0 304.324 -0.322 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])C1 ZINC001606510168 1018850568 /nfs/dbraw/zinc/85/05/68/1018850568.db2.gz ZNIXMIAKCPMYBC-FYBVGQRMSA-N -1 0 309.340 -0.917 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001606519257 1018850825 /nfs/dbraw/zinc/85/08/25/1018850825.db2.gz DCJPRISDMGIMQF-BBBLOLIVSA-N -1 0 321.351 -0.557 20 0 DBADRM COC(=O)[C@H]1CC[C@H]1C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001606519392 1018850893 /nfs/dbraw/zinc/85/08/93/1018850893.db2.gz LXIMVVQENKOYQK-AEJSXWLSSA-N -1 0 313.306 -0.196 20 0 DBADRM COC(=O)[C@@]1(CNC(=O)[C@H](C)CC(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001606514576 1018850901 /nfs/dbraw/zinc/85/09/01/1018850901.db2.gz OVSHNGNHJCSUNL-RGNHYFCHSA-N -1 0 321.351 -0.810 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001606519091 1018850915 /nfs/dbraw/zinc/85/09/15/1018850915.db2.gz IENBWAMLXABIHT-AEJSXWLSSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC001606511326 1018851171 /nfs/dbraw/zinc/85/11/71/1018851171.db2.gz VCNQJQPXBSTWLW-AXFHLTTASA-N -1 0 315.322 -0.343 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)N2CC[C@@](OC)(C(=O)[O-])C2)C1 ZINC001606519539 1018851554 /nfs/dbraw/zinc/85/15/54/1018851554.db2.gz OEEQXTRZXLZSSG-RWEMILLDSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)[C@@H]1C[C@H](F)CN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606511532 1018851942 /nfs/dbraw/zinc/85/19/42/1018851942.db2.gz NBTPLCWPZUUUBG-MAUMQABQSA-N -1 0 309.315 -0.235 20 0 DBADRM COC(=O)c1[nH]cc(C(=O)[O-])c1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001606522807 1018852351 /nfs/dbraw/zinc/85/23/51/1018852351.db2.gz TYTGYDYUNLGXEQ-ZCFIWIBFSA-N -1 0 309.278 -0.084 20 0 DBADRM COC(=O)[C@]12C[C@H]1CCCN2C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001606521119 1018852755 /nfs/dbraw/zinc/85/27/55/1018852755.db2.gz PAKQFEWWFZKAOZ-OQPBUACISA-N -1 0 308.294 -0.470 20 0 DBADRM COC(=O)c1[nH]cc(C(=O)[O-])c1NS(=O)(=O)N1CCC1 ZINC001606521874 1018852782 /nfs/dbraw/zinc/85/27/82/1018852782.db2.gz VYHFDHHPDUESJK-UHFFFAOYSA-N -1 0 303.296 -0.138 20 0 DBADRM O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CC[C@H](F)C1 ZINC001606540256 1018852802 /nfs/dbraw/zinc/85/28/02/1018852802.db2.gz LQGNOULRUWUQGZ-ZETCQYMHSA-N -1 0 323.288 -0.911 20 0 DBADRM O=C(CCc1nnn[n-]1)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001606535408 1018852815 /nfs/dbraw/zinc/85/28/15/1018852815.db2.gz LDQCRJLBFJTSLA-UHFFFAOYSA-N -1 0 317.288 -0.232 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC001606520325 1018852895 /nfs/dbraw/zinc/85/28/95/1018852895.db2.gz YMBWCPDLYJVIJH-KNVOCYPGSA-N -1 0 317.323 -0.354 20 0 DBADRM CC(C)C(=O)NC/C=C/CNC(=O)c1cnc([O-])n(C)c1=O ZINC001501694967 1018853091 /nfs/dbraw/zinc/85/30/91/1018853091.db2.gz HTTGKQHEUIIZGO-SNAWJCMRSA-N -1 0 308.338 -0.456 20 0 DBADRM O=C(CCn1cnccc1=O)Nc1n[nH]cc1-c1nn[nH]n1 ZINC001606539478 1018853674 /nfs/dbraw/zinc/85/36/74/1018853674.db2.gz KBWUDNBIOWXIPB-UHFFFAOYSA-N -1 0 301.270 -0.825 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1ccnc3n[nH]nc31)C2 ZINC001606553713 1018854018 /nfs/dbraw/zinc/85/40/18/1018854018.db2.gz SCPSMGWYVYXZSJ-FUXBKTLASA-N -1 0 303.278 -0.474 20 0 DBADRM COC(=O)c1cc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)nn1C ZINC001606553094 1018854470 /nfs/dbraw/zinc/85/44/70/1018854470.db2.gz FJMQAOZHRRXXMZ-GFCCVEGCSA-N -1 0 312.282 -0.740 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)cn1 ZINC001606566293 1018854926 /nfs/dbraw/zinc/85/49/26/1018854926.db2.gz HLVNEYLCPCXPKI-OIBJUYFYSA-N -1 0 306.278 -0.255 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)c2ccccc21 ZINC001606563754 1018855250 /nfs/dbraw/zinc/85/52/50/1018855250.db2.gz HHBMUUZEMDPWAO-STQMWFEESA-N -1 0 317.345 -0.152 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@@H]2CNC(=O)c3ccccc32)CCOC1 ZINC001606569391 1018855567 /nfs/dbraw/zinc/85/55/67/1018855567.db2.gz IGMSBCRIROYNFS-IAQYHMDHSA-N -1 0 304.302 -0.127 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)cc1)N1CCCS1(=O)=O ZINC001606591792 1018856691 /nfs/dbraw/zinc/85/66/91/1018856691.db2.gz FIQYERRIHXPPKY-UHFFFAOYSA-N -1 0 307.335 -0.029 20 0 DBADRM COC(=O)c1ccc(C(=O)OCC(=O)NCCC(=O)[O-])nc1 ZINC001606584232 1018857230 /nfs/dbraw/zinc/85/72/30/1018857230.db2.gz FBKKOISYYASRBR-UHFFFAOYSA-N -1 0 310.262 -0.384 20 0 DBADRM COC(=O)c1ccc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)nc1 ZINC001606595475 1018858764 /nfs/dbraw/zinc/85/87/64/1018858764.db2.gz IZVIPOMRDLHYCF-CYBMUJFWSA-N -1 0 309.278 -0.079 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NCC(C)(C)CC(=O)[O-] ZINC001606624598 1018860627 /nfs/dbraw/zinc/86/06/27/1018860627.db2.gz BHDKGNNQKPYVFZ-UHFFFAOYSA-N -1 0 319.339 -0.025 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@]2(C1)CCCOC2 ZINC001606620368 1018860970 /nfs/dbraw/zinc/86/09/70/1018860970.db2.gz KBYGHALELBBAND-ZDUSSCGKSA-N -1 0 318.341 -0.513 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])nn1 ZINC001606623196 1018861062 /nfs/dbraw/zinc/86/10/62/1018861062.db2.gz STBNKYCYXSNWAM-SSDOTTSWSA-N -1 0 318.236 -0.615 20 0 DBADRM O=C(Cn1cncc(-c2nnn[n-]2)c1=O)NC(C1CC1)C1CC1 ZINC001606623272 1018861449 /nfs/dbraw/zinc/86/14/49/1018861449.db2.gz DRNGVSSHTCFCHG-UHFFFAOYSA-N -1 0 315.337 -0.272 20 0 DBADRM COC(=O)c1ccn(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC001606622039 1018861569 /nfs/dbraw/zinc/86/15/69/1018861569.db2.gz LVWAIHDHLBUIGG-SECBINFHSA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)c1cn(CC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)nn1 ZINC001606626396 1018861790 /nfs/dbraw/zinc/86/17/90/1018861790.db2.gz XRRGSXDZUJOGCT-BDAKNGLRSA-N -1 0 310.310 -0.176 20 0 DBADRM COC(=O)c1cnn(CC(=O)NCCSCCC(=O)[O-])c1 ZINC001606629263 1018862337 /nfs/dbraw/zinc/86/23/37/1018862337.db2.gz HDWPLONRSXWLCZ-UHFFFAOYSA-N -1 0 315.351 -0.006 20 0 DBADRM COC(=O)c1cn(CC(=O)OCc2ccc(C(=O)[O-])cn2)nn1 ZINC001606625061 1018862366 /nfs/dbraw/zinc/86/23/66/1018862366.db2.gz GVYCDKAOGWILKW-UHFFFAOYSA-N -1 0 320.261 -0.099 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NCC1(C(=O)[O-])CC1 ZINC001606625725 1018862397 /nfs/dbraw/zinc/86/23/97/1018862397.db2.gz NKIQKODLXPLTAN-UHFFFAOYSA-N -1 0 303.296 -0.661 20 0 DBADRM COC(=O)c1cnn(CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001606629589 1018862680 /nfs/dbraw/zinc/86/26/80/1018862680.db2.gz NCKFRDUTIVJARJ-LDYMZIIASA-N -1 0 311.294 -0.724 20 0 DBADRM COC(=O)c1coc(CNS(=O)(=O)C[C@H](C)C(=O)[O-])n1 ZINC001606631515 1018862877 /nfs/dbraw/zinc/86/28/77/1018862877.db2.gz WTXCTXCSPXIYIH-LURJTMIESA-N -1 0 306.296 -0.399 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001606625747 1018862939 /nfs/dbraw/zinc/86/29/39/1018862939.db2.gz NSVJFOWMECBYPY-NKWVEPMBSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)c1ncccc1S(=O)(=O)NC[C@H](F)C(=O)[O-] ZINC001606635955 1018863098 /nfs/dbraw/zinc/86/30/98/1018863098.db2.gz QDZITEFECFPKEK-LURJTMIESA-N -1 0 306.271 -0.431 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H](CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001606659914 1018863514 /nfs/dbraw/zinc/86/35/14/1018863514.db2.gz UWNUZNWCBVENFG-SCZZXKLOSA-N -1 0 308.338 -0.062 20 0 DBADRM CO[C@@H](C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)C1CC1 ZINC001606644656 1018863658 /nfs/dbraw/zinc/86/36/58/1018863658.db2.gz UIADWHCVLWWIFR-DOMZBBRYSA-N -1 0 312.366 -0.201 20 0 DBADRM CO[C@](C)(C(=O)NCCOCC(=O)[O-])C(=O)OC(C)(C)C ZINC001606650871 1018864111 /nfs/dbraw/zinc/86/41/11/1018864111.db2.gz CRMBYOPQJYESHT-CYBMUJFWSA-N -1 0 305.327 -0.049 20 0 DBADRM CO[C@](C)(CO)CNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001606660030 1018864137 /nfs/dbraw/zinc/86/41/37/1018864137.db2.gz UXJYWVLKBPZLBW-LBPRGKRZSA-N -1 0 318.351 -0.236 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@@H]1CCCS1(=O)=O)OC ZINC001606668385 1018865268 /nfs/dbraw/zinc/86/52/68/1018865268.db2.gz JURYTIAVUOAUQZ-VIFPVBQESA-N -1 0 323.367 -0.514 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)C1CC1 ZINC001606681217 1018865531 /nfs/dbraw/zinc/86/55/31/1018865531.db2.gz LMBNFNQWTLQVJB-NWDGAFQWSA-N -1 0 321.395 -0.101 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001606673445 1018866071 /nfs/dbraw/zinc/86/60/71/1018866071.db2.gz KTUSZQHYOAMLBC-CHWFTXMASA-N -1 0 314.338 -0.867 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@H]1CCS(=O)(=O)C1)OC ZINC001606669754 1018866279 /nfs/dbraw/zinc/86/62/79/1018866279.db2.gz YTWDMPMKRGZBPO-VIFPVBQESA-N -1 0 323.367 -0.657 20 0 DBADRM CO[C@H](CS(=O)(=O)NC[C@H](F)C(=O)[O-])C1CCOCC1 ZINC001606683303 1018867132 /nfs/dbraw/zinc/86/71/32/1018867132.db2.gz RKPUTQBYHFNSAX-VHSXEESVSA-N -1 0 313.347 -0.230 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@H](CO)C(=O)[O-])c1ccccc1 ZINC001606683099 1018867146 /nfs/dbraw/zinc/86/71/46/1018867146.db2.gz OVNCMUGERFDOET-MNOVXSKESA-N -1 0 303.336 -0.261 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001606692299 1018868150 /nfs/dbraw/zinc/86/81/50/1018868150.db2.gz VPBVNFJQLRWSTI-WMFXKJRFSA-N -1 0 310.350 -0.197 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC2(SC)CC2)C1 ZINC001606690914 1018868157 /nfs/dbraw/zinc/86/81/57/1018868157.db2.gz GPFZTVJBIJFEHL-CYBMUJFWSA-N -1 0 316.379 -0.300 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2cccnc2C)C1 ZINC001606696380 1018868263 /nfs/dbraw/zinc/86/82/63/1018868263.db2.gz KZKNJGMCVHSNGX-HNNXBMFYSA-N -1 0 321.333 -0.292 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001606695293 1018868334 /nfs/dbraw/zinc/86/83/34/1018868334.db2.gz ATIBDMLATOMKNK-XPTSAGLGSA-N -1 0 308.338 -0.378 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@H](C)OC[C@@H]2C)C1 ZINC001606692614 1018868848 /nfs/dbraw/zinc/86/88/48/1018868848.db2.gz ZABZQYDOYCUYRN-PKFCDNJMSA-N -1 0 314.338 -0.676 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001606696563 1018869066 /nfs/dbraw/zinc/86/90/66/1018869066.db2.gz DWQLOUZHIDACRW-GFCCVEGCSA-N -1 0 320.367 -0.886 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C2=CS(=O)(=O)CCC2)C1 ZINC001606697468 1018869511 /nfs/dbraw/zinc/86/95/11/1018869511.db2.gz VWPULMUUXZBCOD-LBPRGKRZSA-N -1 0 303.336 -0.219 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(CC(=O)Nc2ccccc2C(N)=O)C1 ZINC001606702696 1018869695 /nfs/dbraw/zinc/86/96/95/1018869695.db2.gz FRFJJOYVFGRHKL-OAHLLOKOSA-N -1 0 321.333 -0.101 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(CC(=O)N=[S@](C)(=O)N(C)C)C1 ZINC001606704449 1018869775 /nfs/dbraw/zinc/86/97/75/1018869775.db2.gz ZDJNGXNCYPIQRA-GIPWTMENSA-N -1 0 307.372 -0.737 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnc(CN3CCCC3=O)n2C)C1 ZINC001606705190 1018869828 /nfs/dbraw/zinc/86/98/28/1018869828.db2.gz APTFNVZXQMOZCW-AWEZNQCLSA-N -1 0 323.353 -0.383 20 0 DBADRM O=C(NC[C@H](Nc1ccnc(-c2nnn[n-]2)n1)C1CC1)C1CC1 ZINC001606702020 1018870528 /nfs/dbraw/zinc/87/05/28/1018870528.db2.gz WQDFBKHIGHURCV-JTQLQIEISA-N -1 0 314.353 -0.205 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=S)NCCN2CCOCC2)C1 ZINC001606703192 1018870662 /nfs/dbraw/zinc/87/06/62/1018870662.db2.gz LSKSLVMKNBXITI-CYBMUJFWSA-N -1 0 317.411 -0.631 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCCC2CS(=O)(=O)C2)C1 ZINC001606699358 1018870695 /nfs/dbraw/zinc/87/06/95/1018870695.db2.gz UJVDDNWWGVKKLX-LBPRGKRZSA-N -1 0 320.367 -0.694 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnc(C(=O)N3CCCC3)n2C)C1 ZINC001606706081 1018871159 /nfs/dbraw/zinc/87/11/59/1018871159.db2.gz JGNXWSZVTAGECB-AWEZNQCLSA-N -1 0 323.353 -0.269 20 0 DBADRM CO[C@]1(C)CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC001606714971 1018871176 /nfs/dbraw/zinc/87/11/76/1018871176.db2.gz QOBIEPVRSUOMKX-IINYFYTJSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@@]1(C)CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC001606714970 1018871598 /nfs/dbraw/zinc/87/15/98/1018871598.db2.gz QOBIEPVRSUOMKX-HZMBPMFUSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC001606707022 1018871920 /nfs/dbraw/zinc/87/19/20/1018871920.db2.gz UOLSEIACENBMAI-RISCZKNCSA-N -1 0 310.354 -0.010 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnc(C(=O)N3CCCC3)n2C)C1 ZINC001606706083 1018872084 /nfs/dbraw/zinc/87/20/84/1018872084.db2.gz JGNXWSZVTAGECB-CQSZACIVSA-N -1 0 323.353 -0.269 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(Cn2nnc(-c3cscn3)n2)C1 ZINC001606705913 1018872143 /nfs/dbraw/zinc/87/21/43/1018872143.db2.gz HLERAKKZXNKMIT-NSHDSACASA-N -1 0 310.339 -0.070 20 0 DBADRM CO[C@H]1C[C@@H](Cn2nnnc2N2CC[C@](OC)(C(=O)[O-])C2)C1 ZINC001606706415 1018872165 /nfs/dbraw/zinc/87/21/65/1018872165.db2.gz LTVSRDYQEMLMCY-GBIKHYSHSA-N -1 0 311.342 -0.222 20 0 DBADRM CO[C@]1(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CCSC1 ZINC001606717100 1018872208 /nfs/dbraw/zinc/87/22/08/1018872208.db2.gz OAWZPVAWMAJXJZ-NRUUGDAUSA-N -1 0 318.395 -0.015 20 0 DBADRM COC1(CS(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CCC1 ZINC001606721268 1018872639 /nfs/dbraw/zinc/87/26/39/1018872639.db2.gz WGBFOAHUFSDDCV-VHSXEESVSA-N -1 0 307.368 -0.347 20 0 DBADRM CO[C@]1(CO)CCCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001606719735 1018872750 /nfs/dbraw/zinc/87/27/50/1018872750.db2.gz FTKQVGVQWRGNDX-LLVKDONJSA-N -1 0 307.368 -0.203 20 0 DBADRM CO[C@@H]1CC[C@H]1N(C)C(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001606736612 1018873659 /nfs/dbraw/zinc/87/36/59/1018873659.db2.gz RTQDYDOBALKGDI-GPCCPHFNSA-N -1 0 314.338 -0.676 20 0 DBADRM CO[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)[C@H](C(=O)[O-])C1 ZINC001606749654 1018873906 /nfs/dbraw/zinc/87/39/06/1018873906.db2.gz FKVOBGLVQPDQBD-IUCAKERBSA-N -1 0 313.310 -0.981 20 0 DBADRM CO[C@H]1CN(C(=O)COCc2ocnc2C(=O)[O-])CCO1 ZINC001606762941 1018874235 /nfs/dbraw/zinc/87/42/35/1018874235.db2.gz HLLGGCBDYVRRMN-SNVBAGLBSA-N -1 0 300.267 -0.279 20 0 DBADRM CO[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)[C@@](C)(C(=O)[O-])C1 ZINC001606763607 1018874410 /nfs/dbraw/zinc/87/44/10/1018874410.db2.gz MSJRTJGBJSACON-UVPNAGLESA-N -1 0 313.310 -0.935 20 0 DBADRM CO[C@H]1COCC[C@@H]1N(C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606771408 1018874601 /nfs/dbraw/zinc/87/46/01/1018874601.db2.gz STJBHWLNQAPKMM-IUCAKERBSA-N -1 0 320.323 -0.203 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccsc1C(=O)[O-] ZINC001606771997 1018874752 /nfs/dbraw/zinc/87/47/52/1018874752.db2.gz VMSLUXQLAOUJAS-SFYZADRCSA-N -1 0 319.360 -0.012 20 0 DBADRM COCC(=O)N[C@H](C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C(C)C ZINC001606774513 1018875371 /nfs/dbraw/zinc/87/53/71/1018875371.db2.gz RENPPHFGQZYZPL-ADEWGFFLSA-N -1 0 316.354 -0.621 20 0 DBADRM CO[C@H]1COCC[C@H]1N(C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606771403 1018875379 /nfs/dbraw/zinc/87/53/79/1018875379.db2.gz STJBHWLNQAPKMM-BDAKNGLRSA-N -1 0 320.323 -0.203 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001606770908 1018875413 /nfs/dbraw/zinc/87/54/13/1018875413.db2.gz OUIWUGJSNDYRKN-OPRDCNLKSA-N -1 0 320.367 -0.553 20 0 DBADRM COCC(=O)N(C)CC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC001606771237 1018875427 /nfs/dbraw/zinc/87/54/27/1018875427.db2.gz BWCJDWJLCKQBRK-ZJUUUORDSA-N -1 0 302.327 -0.818 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)N1CCN(C)CC1 ZINC001606779786 1018876146 /nfs/dbraw/zinc/87/61/46/1018876146.db2.gz KCBLCHVLPJNLCF-BXUZGUMPSA-N -1 0 301.387 -0.382 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)CN1CCOCC1 ZINC001606779652 1018877078 /nfs/dbraw/zinc/87/70/78/1018877078.db2.gz GOPWUYMHFSCXTJ-BXUZGUMPSA-N -1 0 302.371 -0.049 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)CN1CCOCC1 ZINC001606779731 1018877189 /nfs/dbraw/zinc/87/71/89/1018877189.db2.gz GOPWUYMHFSCXTJ-RISCZKNCSA-N -1 0 302.371 -0.049 20 0 DBADRM COCC(C)(C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001606777363 1018877302 /nfs/dbraw/zinc/87/73/02/1018877302.db2.gz PJWBNRGUKZWHAJ-QPUJVOFHSA-N -1 0 307.368 -0.337 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-] ZINC001606791048 1018877892 /nfs/dbraw/zinc/87/78/92/1018877892.db2.gz DNSIRUFPTFEXAC-LLVKDONJSA-N -1 0 311.356 -0.405 20 0 DBADRM COC[C@@](C)(NCC(=O)N1CCC[C@@H](NC(C)=O)C1)C(=O)[O-] ZINC001606790692 1018877963 /nfs/dbraw/zinc/87/79/63/1018877963.db2.gz DDMOYCXKEJDAGF-BXUZGUMPSA-N -1 0 315.370 -0.807 20 0 DBADRM CC(C)[C@H](F)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001501815989 1018878039 /nfs/dbraw/zinc/87/80/39/1018878039.db2.gz FNXHNGZYRMPFFT-ONGXEEELSA-N -1 0 315.349 -0.179 20 0 DBADRM COC[C@](C)(NC(=O)c1nnn(-c2ccn(C)n2)c1C)C(=O)[O-] ZINC001606792050 1018878485 /nfs/dbraw/zinc/87/84/85/1018878485.db2.gz ZSIHRGYSDWCOFY-ZDUSSCGKSA-N -1 0 322.325 -0.471 20 0 DBADRM COC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606791542 1018878898 /nfs/dbraw/zinc/87/88/98/1018878898.db2.gz CYITZYGHWJGHAJ-CYBMUJFWSA-N -1 0 311.294 -0.768 20 0 DBADRM COC[C@@H](CCNC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1)OC ZINC001606800115 1018879611 /nfs/dbraw/zinc/87/96/11/1018879611.db2.gz VPWPXZHCAXXWKQ-GMTAPVOTSA-N -1 0 304.343 -0.079 20 0 DBADRM COC[C@@H](CCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1)OC ZINC001606799850 1018879731 /nfs/dbraw/zinc/87/97/31/1018879731.db2.gz QDAZZBPFAQNZSH-MNOVXSKESA-N -1 0 304.343 -0.077 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NOC1CCCC1 ZINC001606802861 1018879823 /nfs/dbraw/zinc/87/98/23/1018879823.db2.gz RISHQUJLMSZXEO-UHFFFAOYSA-N -1 0 307.318 -0.368 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cc(-c2nn[nH]n2)cs1 ZINC001606802089 1018880048 /nfs/dbraw/zinc/88/00/48/1018880048.db2.gz NEZLPEMXYFBWPZ-UHFFFAOYSA-N -1 0 307.295 -0.423 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CCC[C@@H](CF)C1 ZINC001606803248 1018880085 /nfs/dbraw/zinc/88/00/85/1018880085.db2.gz RZCJTUPHGIKEGZ-VIFPVBQESA-N -1 0 323.336 -0.151 20 0 DBADRM COC[C@@H](Cn1cncn1)OC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001606805562 1018881318 /nfs/dbraw/zinc/88/13/18/1018881318.db2.gz QLKKPYSBBGXMRP-SNVBAGLBSA-N -1 0 309.282 -0.569 20 0 DBADRM COC[C@@H](CO)NC(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC001606805287 1018881378 /nfs/dbraw/zinc/88/13/78/1018881378.db2.gz ZGCFFWHWBQNBSE-LLVKDONJSA-N -1 0 312.322 -0.044 20 0 DBADRM COC[C@@H](NC(=O)[C@H](C(C)C)N1CCCS1(=O)=O)C(=O)[O-] ZINC001606806643 1018881391 /nfs/dbraw/zinc/88/13/91/1018881391.db2.gz XTZYJEVDURSRPX-ZJUUUORDSA-N -1 0 322.383 -0.738 20 0 DBADRM COC[C@H](NC(=O)c1cccc(Nc2nn[nH]n2)c1)C(=O)[O-] ZINC001606812973 1018881399 /nfs/dbraw/zinc/88/13/99/1018881399.db2.gz NEMKWZINVLSALB-VIFPVBQESA-N -1 0 306.282 -0.227 20 0 DBADRM COC[C@H](NC(=O)c1ccc(CN2CCOCC2)o1)C(=O)[O-] ZINC001606813655 1018881887 /nfs/dbraw/zinc/88/18/87/1018881887.db2.gz WFUNTDSCNUSSCW-NSHDSACASA-N -1 0 312.322 -0.059 20 0 DBADRM COC[C@@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)OC)C(=O)[O-] ZINC001606813519 1018881906 /nfs/dbraw/zinc/88/19/06/1018881906.db2.gz POAVCFXCBFZSTR-BDAKNGLRSA-N -1 0 320.342 -0.258 20 0 DBADRM COCC[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)[O-] ZINC001606858830 1018889339 /nfs/dbraw/zinc/88/93/39/1018889339.db2.gz PZGLPKAXGYIXPI-QMMMGPOBSA-N -1 0 310.372 -0.690 20 0 DBADRM COC[C@H](OC)C(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001606823697 1018882939 /nfs/dbraw/zinc/88/29/39/1018882939.db2.gz WWEDSQSHGQHMHV-AEJSXWLSSA-N -1 0 303.311 -0.487 20 0 DBADRM COC[C@@H](O)C(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001606818610 1018882956 /nfs/dbraw/zinc/88/29/56/1018882956.db2.gz MTNARUOZVSMAHA-WCBMZHEXSA-N -1 0 303.311 -0.751 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)[C@H]1CCCO1 ZINC001606816275 1018883169 /nfs/dbraw/zinc/88/31/69/1018883169.db2.gz UGKMSFOCICMYKZ-RKDXNWHRSA-N -1 0 319.339 -0.420 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)OC ZINC001606816327 1018883426 /nfs/dbraw/zinc/88/34/26/1018883426.db2.gz VYWMTQIUHBFNHV-MRVPVSSYSA-N -1 0 320.323 -0.810 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cccnc1C(=O)[O-])C(=O)OC ZINC001606817233 1018883470 /nfs/dbraw/zinc/88/34/70/1018883470.db2.gz AXMZMUJKVSGFAP-ZETCQYMHSA-N -1 0 318.307 -0.754 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CCN1CCOCC1 ZINC001606828972 1018884142 /nfs/dbraw/zinc/88/41/42/1018884142.db2.gz CJULEHZDXRADJT-AWEZNQCLSA-N -1 0 300.355 -0.199 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@H](O)Cc1cnn(C)c1 ZINC001606829976 1018884229 /nfs/dbraw/zinc/88/42/29/1018884229.db2.gz FVNSWFDHZNZUBX-RISCZKNCSA-N -1 0 311.338 -0.584 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)Cc1ccc(C(N)=O)nc1 ZINC001606829469 1018884514 /nfs/dbraw/zinc/88/45/14/1018884514.db2.gz PEDAZYHVAFTECN-OAHLLOKOSA-N -1 0 321.333 -0.185 20 0 DBADRM COCC1(CNC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1 ZINC001606840040 1018885537 /nfs/dbraw/zinc/88/55/37/1018885537.db2.gz CTBDAQPQSQVPDZ-ZJUUUORDSA-N -1 0 314.338 -0.770 20 0 DBADRM COC[C@]1(C)CN(C(=O)C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])CCO1 ZINC001606836467 1018885739 /nfs/dbraw/zinc/88/57/39/1018885739.db2.gz FMMNZSLHTQCVCE-BHDSKKPTSA-N -1 0 314.338 -0.913 20 0 DBADRM COC[C@]1(C)CC(=O)N(CN2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC001606835000 1018886430 /nfs/dbraw/zinc/88/64/30/1018886430.db2.gz SURGOQSLSPKYOB-CQSZACIVSA-N -1 0 323.353 -0.325 20 0 DBADRM COC[C@@H]1CCCN1NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606846405 1018886526 /nfs/dbraw/zinc/88/65/26/1018886526.db2.gz CVGZZZBZLYMHQB-QWRGUYRKSA-N -1 0 313.354 -0.548 20 0 DBADRM COC[C@@H]1CC[C@H]([C@@H]2COCCN2C[C@@](C)(O)C(=O)[O-])O1 ZINC001606845294 1018886811 /nfs/dbraw/zinc/88/68/11/1018886811.db2.gz JUGQAEIRLPFZNS-CIQGVGRVSA-N -1 0 303.355 -0.283 20 0 DBADRM COC[C@@H]1CC[C@H]([C@H]2COCCN2C[C@](C)(O)C(=O)[O-])O1 ZINC001606845300 1018886827 /nfs/dbraw/zinc/88/68/27/1018886827.db2.gz JUGQAEIRLPFZNS-SFTQSGBHSA-N -1 0 303.355 -0.283 20 0 DBADRM COC[C@@H]1CCCN1C(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001606846293 1018886912 /nfs/dbraw/zinc/88/69/12/1018886912.db2.gz UULXYDNDUZZLCB-IINYFYTJSA-N -1 0 314.338 -0.674 20 0 DBADRM COCCC(=O)NC[C@]1(O)CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001606851069 1018887537 /nfs/dbraw/zinc/88/75/37/1018887537.db2.gz ALVCBPDHECINNO-CQSZACIVSA-N -1 0 324.337 -0.731 20 0 DBADRM COCC[C@@H](CO)NS(=O)(=O)c1csnc1C(=O)[O-] ZINC001606855332 1018887554 /nfs/dbraw/zinc/88/75/54/1018887554.db2.gz GEYKHLMOACHICU-LURJTMIESA-N -1 0 310.353 -0.483 20 0 DBADRM COCC[C@H](C)CNC(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001606852712 1018887579 /nfs/dbraw/zinc/88/75/79/1018887579.db2.gz ROCBDAURRVCNCM-IINYFYTJSA-N -1 0 316.354 -0.523 20 0 DBADRM COCC[C@@H](C)S(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001606852636 1018887980 /nfs/dbraw/zinc/88/79/80/1018887980.db2.gz PMJMPSMWAUUJFO-KOLCDFICSA-N -1 0 309.384 -0.101 20 0 DBADRM COC[C@H]1CN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CCO1 ZINC001606848204 1018888064 /nfs/dbraw/zinc/88/80/64/1018888064.db2.gz NJQUEZVPJHZNFN-LPEHRKFASA-N -1 0 317.342 -0.979 20 0 DBADRM COCC[C@H](CO)NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001606855201 1018888127 /nfs/dbraw/zinc/88/81/27/1018888127.db2.gz DOCJTPGYIABXFM-GMTAPVOTSA-N -1 0 309.384 -0.053 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC001606847452 1018888169 /nfs/dbraw/zinc/88/81/69/1018888169.db2.gz BTGKQEIKSMQKAI-XWLWVQCSSA-N -1 0 314.338 -0.772 20 0 DBADRM COCCC(=O)NC[C@@]1(O)CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001606851068 1018888285 /nfs/dbraw/zinc/88/82/85/1018888285.db2.gz ALVCBPDHECINNO-AWEZNQCLSA-N -1 0 324.337 -0.731 20 0 DBADRM COCC[C@@H](COC)N1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC001606855541 1018888644 /nfs/dbraw/zinc/88/86/44/1018888644.db2.gz IPANHFUREPLQAX-JLIMGVALSA-N -1 0 300.311 -0.321 20 0 DBADRM COCCCC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001606864900 1018888786 /nfs/dbraw/zinc/88/87/86/1018888786.db2.gz PHHMWNOMHRGQRK-IUCAKERBSA-N -1 0 313.310 -0.981 20 0 DBADRM COCC[C@@H]1COCCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001606864858 1018888999 /nfs/dbraw/zinc/88/89/99/1018888999.db2.gz MTDJSDIJOHXJGI-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM COCC[C@H](CO)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001606856646 1018889109 /nfs/dbraw/zinc/88/91/09/1018889109.db2.gz SGXGDWWBSOWLFI-SECBINFHSA-N -1 0 304.324 -0.545 20 0 DBADRM COCC[C@@H](NC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(=O)[O-] ZINC001606858924 1018889407 /nfs/dbraw/zinc/88/94/07/1018889407.db2.gz SOBZJOBXNNMFCC-SNVBAGLBSA-N -1 0 322.321 -0.521 20 0 DBADRM COCC[C@H](NC(=O)CCc1ocnc1C(=O)OC)C(=O)[O-] ZINC001606858071 1018889432 /nfs/dbraw/zinc/88/94/32/1018889432.db2.gz GYHMTLKIOMZWME-QMMMGPOBSA-N -1 0 314.294 0.000 20 0 DBADRM COCC[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606864694 1018889761 /nfs/dbraw/zinc/88/97/61/1018889761.db2.gz GOMTZKOBJDQKKE-MRVPVSSYSA-N -1 0 320.323 -0.201 20 0 DBADRM COCCCOCCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001606872560 1018890110 /nfs/dbraw/zinc/89/01/10/1018890110.db2.gz OBCZKIDULSXLAM-GHMZBOCLSA-N -1 0 317.338 -0.238 20 0 DBADRM COCCCNC(=O)CN1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001606869970 1018890570 /nfs/dbraw/zinc/89/05/70/1018890570.db2.gz PZXFLJZNPBOLNH-GHMZBOCLSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCCNC(=O)C(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001606869814 1018890659 /nfs/dbraw/zinc/89/06/59/1018890659.db2.gz MYZVKELBVLGKSV-UHFFFAOYSA-N -1 0 311.338 -0.199 20 0 DBADRM COCCCS(=O)(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001606878350 1018890911 /nfs/dbraw/zinc/89/09/11/1018890911.db2.gz JILCAPYYIMQFEJ-UWVGGRQHSA-N -1 0 323.367 -0.309 20 0 DBADRM COCCCCN(C)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001606870379 1018890919 /nfs/dbraw/zinc/89/09/19/1018890919.db2.gz ZGVFBICJJKCPSY-WDEREUQCSA-N -1 0 316.354 -0.835 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001606878943 1018890930 /nfs/dbraw/zinc/89/09/30/1018890930.db2.gz YMSIVKWTBXQQNF-VHSXEESVSA-N -1 0 322.383 -0.736 20 0 DBADRM COCCN(C(=O)C(=O)NC[C@H](F)C(=O)[O-])C1CCOCC1 ZINC001606877615 1018891219 /nfs/dbraw/zinc/89/12/19/1018891219.db2.gz SCYGXSLPDHKLSP-JTQLQIEISA-N -1 0 320.317 -0.821 20 0 DBADRM COCCN(CCO)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606888847 1018891611 /nfs/dbraw/zinc/89/16/11/1018891611.db2.gz PPDUDNAYRBDHPE-UHFFFAOYSA-N -1 0 311.294 -0.814 20 0 DBADRM COCCN1C[C@H](C(=O)N(OC)[C@H](C)CC(=O)[O-])CC1=O ZINC001606893858 1018891672 /nfs/dbraw/zinc/89/16/72/1018891672.db2.gz XNXQTEXAMHNARI-NXEZZACHSA-N -1 0 302.327 -0.266 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)COCC(=O)OC(C)(C)C ZINC001606881737 1018891897 /nfs/dbraw/zinc/89/18/97/1018891897.db2.gz HQEDHFSKRHQCRV-UHFFFAOYSA-N -1 0 305.327 -0.096 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)Cn1ccc(C(=O)OC)n1 ZINC001606887107 1018892014 /nfs/dbraw/zinc/89/20/14/1018892014.db2.gz JOFGNIZWJQHCAO-UHFFFAOYSA-N -1 0 313.310 -0.381 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001606880905 1018892972 /nfs/dbraw/zinc/89/29/72/1018892972.db2.gz OTJLKARFTJPHIU-UWVGGRQHSA-N -1 0 310.372 -0.579 20 0 DBADRM COCCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1 ZINC001606895255 1018894015 /nfs/dbraw/zinc/89/40/15/1018894015.db2.gz NXFPWLPCGICIHQ-UHFFFAOYSA-N -1 0 318.355 -0.939 20 0 DBADRM COCCOC[C@@H](C)NC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606903271 1018894089 /nfs/dbraw/zinc/89/40/89/1018894089.db2.gz GUZZDKKCTGXOBB-MXWKQRLJSA-N -1 0 316.354 -0.524 20 0 DBADRM COCCOCCC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001606903473 1018894586 /nfs/dbraw/zinc/89/45/86/1018894586.db2.gz MRKYOZNUZRKHHG-QWRGUYRKSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCc1cc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)n(C)n1 ZINC001606922027 1018895526 /nfs/dbraw/zinc/89/55/26/1018895526.db2.gz BNZIHZGSDYLIPE-UHFFFAOYSA-N -1 0 324.337 -0.329 20 0 DBADRM COCCn1c(CCO)nnc1N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001606926545 1018895733 /nfs/dbraw/zinc/89/57/33/1018895733.db2.gz FFDZEQHVPJFYCI-ZDUSSCGKSA-N -1 0 314.342 -0.861 20 0 DBADRM COCCc1ccccc1NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001606925446 1018896026 /nfs/dbraw/zinc/89/60/26/1018896026.db2.gz XTQLXZPDNKGROS-NSHDSACASA-N -1 0 324.333 -0.234 20 0 DBADRM COCCS(=O)(=O)CC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001606920005 1018896098 /nfs/dbraw/zinc/89/60/98/1018896098.db2.gz OZQWDWACIJCDFR-UHFFFAOYSA-N -1 0 316.335 -0.292 20 0 DBADRM COCCn1cc(NC(=O)C(=O)NC2(CC(=O)[O-])CC2)cn1 ZINC001606931173 1018897189 /nfs/dbraw/zinc/89/71/89/1018897189.db2.gz FMOGFRBSOGFGIA-UHFFFAOYSA-N -1 0 310.310 -0.409 20 0 DBADRM COCCn1ccc(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n1 ZINC001606932462 1018897205 /nfs/dbraw/zinc/89/72/05/1018897205.db2.gz AYCYPZAGRYOZBY-NXEZZACHSA-N -1 0 312.326 -0.171 20 0 DBADRM COCCn1nnc2c1CCN(Cc1cnc(C(=O)[O-])cn1)C2 ZINC001606933750 1018897405 /nfs/dbraw/zinc/89/74/05/1018897405.db2.gz PFHRPMFVBPZMRF-UHFFFAOYSA-N -1 0 318.337 -0.029 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001606938788 1018898636 /nfs/dbraw/zinc/89/86/36/1018898636.db2.gz HIPRJTYOOKLKDX-HTQZYQBOSA-N -1 0 304.324 -0.517 20 0 DBADRM COCc1cc(C(=O)N[C@H](CCC(=O)[O-])C(=O)OC)no1 ZINC001606939673 1018899163 /nfs/dbraw/zinc/89/91/63/1018899163.db2.gz AWHXKOOANQNVEJ-MRVPVSSYSA-N -1 0 300.267 -0.043 20 0 DBADRM COCc1cc(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)ncn1 ZINC001606967053 1018899482 /nfs/dbraw/zinc/89/94/82/1018899482.db2.gz PVUQXDCLYCARJD-WCBMZHEXSA-N -1 0 310.310 -0.078 20 0 DBADRM CON(C(=O)c1cc(S(N)(=O)=O)cn1C)[C@H](C)CC(=O)[O-] ZINC001606987903 1018900835 /nfs/dbraw/zinc/90/08/35/1018900835.db2.gz OZZHCXGEYLLHBR-SSDOTTSWSA-N -1 0 319.339 -0.461 20 0 DBADRM CON(C)C1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001606989467 1018900976 /nfs/dbraw/zinc/90/09/76/1018900976.db2.gz FJQIBDOLRFSYRK-UHFFFAOYSA-N -1 0 307.372 -0.795 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001606990082 1018901483 /nfs/dbraw/zinc/90/14/83/1018901483.db2.gz KZTKQZWTBXPTAV-UHFFFAOYSA-N -1 0 303.296 -0.922 20 0 DBADRM CON(C)C(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001606990354 1018902276 /nfs/dbraw/zinc/90/22/76/1018902276.db2.gz WTAMSLFYEKXSLC-UHFFFAOYSA-N -1 0 323.305 -0.232 20 0 DBADRM COCc1cncc(C(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC001606971916 1018902425 /nfs/dbraw/zinc/90/24/25/1018902425.db2.gz MVMFOAKINMYOLL-UHFFFAOYSA-N -1 0 305.294 -0.052 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)C[C@H]1O ZINC001606999101 1018905220 /nfs/dbraw/zinc/90/52/20/1018905220.db2.gz CWSLPXOFUBIWCX-VXGBXAGGSA-N -1 0 315.347 -0.306 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001607000128 1018906337 /nfs/dbraw/zinc/90/63/37/1018906337.db2.gz UOWGNHCEWIVBBQ-RKDXNWHRSA-N -1 0 309.278 -0.752 20 0 DBADRM COc1c(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c(C)nn1C ZINC001607007068 1018910677 /nfs/dbraw/zinc/91/06/77/1018910677.db2.gz PFRQCRZCTFCQRV-UHFFFAOYSA-N -1 0 320.309 -0.276 20 0 DBADRM COc1c(NCC2(C(N)=O)CCOCC2)ncnc1C(=O)[O-] ZINC001607041999 1018916666 /nfs/dbraw/zinc/91/66/66/1018916666.db2.gz DXJHDFHTCYHGBP-UHFFFAOYSA-N -1 0 310.310 -0.123 20 0 DBADRM COc1cc(-c2noc(CN[C@H]3CCO[C@H]3C(=O)[O-])n2)ncn1 ZINC001607046156 1018921464 /nfs/dbraw/zinc/92/14/64/1018921464.db2.gz NIPSEANXWVGHJR-WRWORJQWSA-N -1 0 321.293 -0.133 20 0 DBADRM COc1c[nH]c(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])cc1=O ZINC001607050999 1018923996 /nfs/dbraw/zinc/92/39/96/1018923996.db2.gz TUHXEUDFKSZYNG-MRVPVSSYSA-N -1 0 312.278 -0.671 20 0 DBADRM O=C1NC[C@@H](Cn2c3c(cc(-c4nnn[n-]4)c2=O)CCC3)O1 ZINC001607049730 1018925840 /nfs/dbraw/zinc/92/58/40/1018925840.db2.gz IWSXJEVCFKPUEH-QMMMGPOBSA-N -1 0 302.294 -0.375 20 0 DBADRM O=C1NC[C@H](Cn2c3c(cc(-c4nnn[n-]4)c2=O)CCC3)O1 ZINC001607049729 1018926209 /nfs/dbraw/zinc/92/62/09/1018926209.db2.gz IWSXJEVCFKPUEH-MRVPVSSYSA-N -1 0 302.294 -0.375 20 0 DBADRM O=C1N[C@@H]2CN(c3ccnc(-c4nnn[n-]4)n3)CC[C@H]2CO1 ZINC001607052573 1018929553 /nfs/dbraw/zinc/92/95/53/1018929553.db2.gz MBIMIMOWPSBNES-JGVFFNPUSA-N -1 0 302.298 -0.409 20 0 DBADRM COc1cc(=O)[nH]cc1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001607056166 1018930058 /nfs/dbraw/zinc/93/00/58/1018930058.db2.gz PPZSJKIESLNZNC-MRVPVSSYSA-N -1 0 309.278 -0.837 20 0 DBADRM O=S(=O)(N[C@H]1CNOC1)c1ccsc1-c1nnn[n-]1 ZINC001607067439 1018936348 /nfs/dbraw/zinc/93/63/48/1018936348.db2.gz KPGMKCYJZSACIV-YFKPBYRVSA-N -1 0 302.341 -0.890 20 0 DBADRM O=S(=O)(NCc1ccon1)c1cccnc1-c1nnn[n-]1 ZINC001607066988 1018938832 /nfs/dbraw/zinc/93/88/32/1018938832.db2.gz OIMLIYYEFAALBC-UHFFFAOYSA-N -1 0 307.295 -0.272 20 0 DBADRM O=[S@@](CCNc1ccnc(-c2nnn[n-]2)n1)CC(F)(F)F ZINC001607073156 1018945970 /nfs/dbraw/zinc/94/59/70/1018945970.db2.gz GASYLZPPZDUYSY-NRFANRHFSA-N -1 0 321.288 -0.199 20 0 DBADRM COc1cc(C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])nn1C ZINC001607075724 1018951786 /nfs/dbraw/zinc/95/17/86/1018951786.db2.gz FPPBCVFGWSVKBD-CYBMUJFWSA-N -1 0 307.310 -0.102 20 0 DBADRM COc1cc(C(=O)[O-])cc(NC(=O)NC[C@H](O)CO)c1OC ZINC001607101385 1018957986 /nfs/dbraw/zinc/95/79/86/1018957986.db2.gz LQRBYJFGCWHHRH-QMMMGPOBSA-N -1 0 314.294 -0.123 20 0 DBADRM O[C@@H]1c2ccccc2OC[C@H]1Nc1ccnc(-c2nnn[n-]2)n1 ZINC001607098995 1018960156 /nfs/dbraw/zinc/96/01/56/1018960156.db2.gz CAVYRGPWLNYNQY-BXKDBHETSA-N -1 0 311.305 -0.015 20 0 DBADRM O=c1c(-c2nnn[n-]2)cn(CCO)c(=O)n1CCCC1CCC1 ZINC001607091498 1018961573 /nfs/dbraw/zinc/96/15/73/1018961573.db2.gz HAAAEIOFCBSMAR-UHFFFAOYSA-N -1 0 320.353 -0.237 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cn(CC(N)=O)nn1 ZINC001607134392 1018976301 /nfs/dbraw/zinc/97/63/01/1018976301.db2.gz KVTBINVRDKZYRJ-UHFFFAOYSA-N -1 0 319.277 -0.278 20 0 DBADRM COc1cc(OC)c(C(=O)NCC(=O)NCC(=O)[O-])cc1C=O ZINC001607183578 1018980424 /nfs/dbraw/zinc/98/04/24/1018980424.db2.gz QEJRGWMWGUXGLB-UHFFFAOYSA-N -1 0 324.289 -0.553 20 0 DBADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)NCCOCCO)c1 ZINC001607212859 1018980521 /nfs/dbraw/zinc/98/05/21/1018980521.db2.gz HMPKELCFJLOGJS-UHFFFAOYSA-N -1 0 319.335 -0.319 20 0 DBADRM COc1ccc([C@H](NC(=O)CN2CCOCC2=O)C(=O)[O-])cc1 ZINC001607228030 1018980591 /nfs/dbraw/zinc/98/05/91/1018980591.db2.gz YRFGTRAXRIABSL-AWEZNQCLSA-N -1 0 322.317 -0.204 20 0 DBADRM COc1cc(CNC(=O)N[C@@H]2COC[C@@H]2O)ccc1C(=O)[O-] ZINC001607161674 1018981827 /nfs/dbraw/zinc/98/18/27/1018981827.db2.gz JKBZJHNXNOGCCO-MNOVXSKESA-N -1 0 310.306 -0.048 20 0 DBADRM COc1ccc(C=O)c(OCC(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001607242638 1018983459 /nfs/dbraw/zinc/98/34/59/1018983459.db2.gz NLCZJYJEDMLZER-SNVBAGLBSA-N -1 0 311.290 -0.162 20 0 DBADRM COc1cccc(C[C@H](O)C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1 ZINC001607321157 1018983470 /nfs/dbraw/zinc/98/34/70/1018983470.db2.gz CRUXVNOZAHIDEI-JTQLQIEISA-N -1 0 320.305 -0.018 20 0 DBADRM COc1cccc(C[C@H](O)C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC001607321728 1018983571 /nfs/dbraw/zinc/98/35/71/1018983571.db2.gz MKWWYQVYXQKMST-OLZOCXBDSA-N -1 0 309.318 -0.089 20 0 DBADRM COc1ccc2c(c1)C[C@@H](C(=O)N1CC(O)(C(=O)[O-])C1)CO2 ZINC001607293352 1018984030 /nfs/dbraw/zinc/98/40/30/1018984030.db2.gz IFZRNPHZJRJKRM-SNVBAGLBSA-N -1 0 307.302 -0.096 20 0 DBADRM COc1ccc(O)c(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC001607277493 1018984855 /nfs/dbraw/zinc/98/48/55/1018984855.db2.gz DBRPWARQFBPJMZ-LBPRGKRZSA-N -1 0 317.319 -0.077 20 0 DBADRM COc1cccc(C[C@H](O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1 ZINC001607321073 1018985129 /nfs/dbraw/zinc/98/51/29/1018985129.db2.gz BPEWKODWLISRLX-DYEKYZERSA-N -1 0 323.345 -0.107 20 0 DBADRM COc1ccc(C=O)c(OCC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC001607242682 1018985150 /nfs/dbraw/zinc/98/51/50/1018985150.db2.gz POVOZTMHXUNXIR-ZYHUDNBSSA-N -1 0 323.301 -0.067 20 0 DBADRM COc1ccnc(N(C)C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1 ZINC001607351109 1018986170 /nfs/dbraw/zinc/98/61/70/1018986170.db2.gz PMJSWQXDMBZXLF-SECBINFHSA-N -1 0 322.321 -0.229 20 0 DBADRM COc1cccnc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001607347641 1018987782 /nfs/dbraw/zinc/98/77/82/1018987782.db2.gz AFURTSUEGKANHN-MRVPVSSYSA-N -1 0 314.319 -0.586 20 0 DBADRM COc1cccnc1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001607347719 1018988236 /nfs/dbraw/zinc/98/82/36/1018988236.db2.gz DSVUCCKWEXUGSH-SECBINFHSA-N -1 0 307.306 -0.104 20 0 DBADRM COc1cnc(F)c(C(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC001607354072 1018988332 /nfs/dbraw/zinc/98/83/32/1018988332.db2.gz FVLXZAUQURVMLP-UHFFFAOYSA-N -1 0 309.257 -0.051 20 0 DBADRM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001607366035 1018989567 /nfs/dbraw/zinc/98/95/67/1018989567.db2.gz ARSOUYPHSLEWQQ-IUCAKERBSA-N -1 0 320.367 -0.817 20 0 DBADRM COc1nc(C)ccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001607357410 1018990547 /nfs/dbraw/zinc/99/05/47/1018990547.db2.gz NYOOHPRRIIZDHD-SNVBAGLBSA-N -1 0 307.306 -0.186 20 0 DBADRM COc1ncncc1NC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001607362249 1018991138 /nfs/dbraw/zinc/99/11/38/1018991138.db2.gz HGHPSVNPQAWOFY-SECBINFHSA-N -1 0 323.309 -0.318 20 0 DBADRM COc1ncc(/C=C\C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001607359452 1018992016 /nfs/dbraw/zinc/99/20/16/1018992016.db2.gz FOXFLFKFRBBMRV-MMJBKMRYSA-N -1 0 307.306 -0.208 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)NC[C@H](F)C(=O)[O-])nn1 ZINC001607381784 1019000082 /nfs/dbraw/zinc/00/00/82/1019000082.db2.gz XTMVELOKOGFJID-YFKPBYRVSA-N -1 0 306.275 -0.576 20 0 DBADRM CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001607366474 1018992533 /nfs/dbraw/zinc/99/25/33/1018992533.db2.gz GMVOSWFGHJMUOY-MRVPVSSYSA-N -1 0 323.348 -0.215 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1O)C(=O)[O-] ZINC001607370483 1018992560 /nfs/dbraw/zinc/99/25/60/1018992560.db2.gz YODMZVKLCASLFE-JTQLQIEISA-N -1 0 315.347 -0.061 20 0 DBADRM CS(=O)(=O)CCCC(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001607369453 1018992838 /nfs/dbraw/zinc/99/28/38/1018992838.db2.gz DAXJYDDHWWBZRB-SECBINFHSA-N -1 0 321.351 -0.570 20 0 DBADRM CS(=O)(=O)CCNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001607369874 1018992851 /nfs/dbraw/zinc/99/28/51/1018992851.db2.gz AISVZKIBVDSCHQ-LLVKDONJSA-N -1 0 319.339 -0.954 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(CCc2cn(CC(=O)[O-])nn2)C1 ZINC001607370054 1018992986 /nfs/dbraw/zinc/99/29/86/1018992986.db2.gz SLWVOAYDDKGKPE-SNVBAGLBSA-N -1 0 316.383 -0.728 20 0 DBADRM CS(=O)(=O)CC(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001607366844 1018993292 /nfs/dbraw/zinc/99/32/92/1018993292.db2.gz PETIKMVMBUDTFI-QMMMGPOBSA-N -1 0 307.324 -0.960 20 0 DBADRM CS(=O)(=O)CC1(NC(=O)c2ccc(C(=O)[O-])o2)COC1 ZINC001607368724 1018993417 /nfs/dbraw/zinc/99/34/17/1018993417.db2.gz BJOOKBZZQQXNAI-UHFFFAOYSA-N -1 0 303.292 -0.479 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(CCc2cn(CC(=O)[O-])nn2)C1 ZINC001607370053 1018993453 /nfs/dbraw/zinc/99/34/53/1018993453.db2.gz SLWVOAYDDKGKPE-JTQLQIEISA-N -1 0 316.383 -0.728 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC001607367817 1018993874 /nfs/dbraw/zinc/99/38/74/1018993874.db2.gz RSTWZDFGPOAEQH-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC001607371136 1018995767 /nfs/dbraw/zinc/99/57/67/1018995767.db2.gz ADPMVGXGISMTIJ-QWRGUYRKSA-N -1 0 318.395 -0.115 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001607373633 1018996289 /nfs/dbraw/zinc/99/62/89/1018996289.db2.gz CQLRXLBLXRVEMT-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM CS(=O)(=O)NCc1cn(Cc2oncc2C(=O)[O-])nn1 ZINC001607373508 1018996425 /nfs/dbraw/zinc/99/64/25/1018996425.db2.gz BLKVZXMPQBEDKS-UHFFFAOYSA-N -1 0 301.284 -0.938 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)CCSCC(=O)[O-])C1 ZINC001607373135 1018996481 /nfs/dbraw/zinc/99/64/81/1018996481.db2.gz LMOAZPYZTSWQJS-MRVPVSSYSA-N -1 0 310.397 -0.656 20 0 DBADRM CS(=O)(=O)NC[C@H]1COCCN1Cc1cc(C(=O)[O-])co1 ZINC001607373646 1018996971 /nfs/dbraw/zinc/99/69/71/1018996971.db2.gz DOCCALJNUFEEOQ-JTQLQIEISA-N -1 0 318.351 -0.272 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001607371161 1018997276 /nfs/dbraw/zinc/99/72/76/1018997276.db2.gz BJMRXWDVHYFZJU-UHFFFAOYSA-N -1 0 313.335 -0.599 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1 ZINC001607372878 1018997420 /nfs/dbraw/zinc/99/74/20/1018997420.db2.gz VLLNHVUDHATKGW-IDKOKCKLSA-N -1 0 317.367 -0.461 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)OCc1cc(C(=O)[O-])no1 ZINC001607371854 1018997467 /nfs/dbraw/zinc/99/74/67/1018997467.db2.gz IAMFCLXRTZIBEC-VIFPVBQESA-N -1 0 318.307 -0.160 20 0 DBADRM CS(=O)(=O)N1CC(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001607371134 1018997609 /nfs/dbraw/zinc/99/76/09/1018997609.db2.gz ADPMVGXGISMTIJ-GHMZBOCLSA-N -1 0 318.395 -0.115 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC001607374599 1018997753 /nfs/dbraw/zinc/99/77/53/1018997753.db2.gz ZQUBEAHXLVOYOE-NSHDSACASA-N -1 0 316.335 -0.427 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NC[C@H](F)C(=O)[O-])c(N)c1 ZINC001607379597 1018998376 /nfs/dbraw/zinc/99/83/76/1018998376.db2.gz FXDIWARCGIIPHL-QMMMGPOBSA-N -1 0 304.299 -0.175 20 0 DBADRM C[S@](=O)Cc1cccc(C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001607384248 1018998753 /nfs/dbraw/zinc/99/87/53/1018998753.db2.gz PPXABQJFCATNCN-NRFANRHFSA-N -1 0 312.347 -0.504 20 0 DBADRM CS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](O)CC(=O)[O-])c1 ZINC001607381317 1018998829 /nfs/dbraw/zinc/99/88/29/1018998829.db2.gz ZALDEZSQXDSARY-ZETCQYMHSA-N -1 0 319.310 -0.205 20 0 DBADRM CS(=O)(=O)c1ccnc(N2CCC([C@@H](O)C(=O)[O-])CC2)n1 ZINC001607382987 1018998932 /nfs/dbraw/zinc/99/89/32/1018998932.db2.gz APGCHDXNTYPWEC-SNVBAGLBSA-N -1 0 315.351 -0.458 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C1(C(=O)[O-])CC1 ZINC001607375832 1018999019 /nfs/dbraw/zinc/99/90/19/1018999019.db2.gz ZXSWXCGCLWSXHN-DTWKUNHWSA-N -1 0 304.368 -0.315 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001607375173 1018999296 /nfs/dbraw/zinc/99/92/96/1018999296.db2.gz QCLSNGZJZJZTRV-UHFFFAOYSA-N -1 0 314.323 -0.455 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001607384564 1018999953 /nfs/dbraw/zinc/99/99/53/1018999953.db2.gz HKNYGZHAGSXMJL-MLCOAVLQSA-N -1 0 316.379 -0.806 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC001607375392 1019000102 /nfs/dbraw/zinc/00/01/02/1019000102.db2.gz UHZJDZASBBMYEN-QMMMGPOBSA-N -1 0 300.340 -0.702 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@H](NC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001607375703 1019000147 /nfs/dbraw/zinc/00/01/47/1019000147.db2.gz BMDXSPWSFORRPV-OPRDCNLKSA-N -1 0 320.367 -0.553 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001607384680 1019000551 /nfs/dbraw/zinc/00/05/51/1019000551.db2.gz JMVAUXCASUMPIJ-NRFANRHFSA-N -1 0 312.347 -0.253 20 0 DBADRM CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001607387374 1019002559 /nfs/dbraw/zinc/00/25/59/1019002559.db2.gz IMRMEKSQNRFGMX-YIZRAAEISA-N -1 0 302.352 -0.048 20 0 DBADRM CSC[C@H](CCO)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001607395013 1019002691 /nfs/dbraw/zinc/00/26/91/1019002691.db2.gz MICHILLFOGDJET-LURJTMIESA-N -1 0 309.369 -0.500 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC001607423799 1019003855 /nfs/dbraw/zinc/00/38/55/1019003855.db2.gz FKXIQCHKOXVLON-APPZFPTMSA-N -1 0 315.326 -0.953 20 0 DBADRM CSCC[C@H](OC(=O)CCn1ncn(C)c1=O)C(=O)[O-] ZINC001607398786 1019004298 /nfs/dbraw/zinc/00/42/98/1019004298.db2.gz NLPMQLXGMQWEGD-QMMMGPOBSA-N -1 0 303.340 -0.279 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001607418871 1019004609 /nfs/dbraw/zinc/00/46/09/1019004609.db2.gz NKNFOGMAZMMZMY-UWVGGRQHSA-N -1 0 307.354 -0.393 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)/C=C/c1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC001607423844 1019004749 /nfs/dbraw/zinc/00/47/49/1019004749.db2.gz GNUCVKHFQHNFGM-ICWPUNPFSA-N -1 0 320.301 -0.019 20 0 DBADRM C[C@@H](O)CCNC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001607424097 1019004778 /nfs/dbraw/zinc/00/47/78/1019004778.db2.gz GECCKQNMUYWGMM-SSDOTTSWSA-N -1 0 324.289 -0.061 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@]1(C)CCNC1=O ZINC001607419379 1019004973 /nfs/dbraw/zinc/00/49/73/1019004973.db2.gz YCFOOJOKMCVZIN-RTHLEPHNSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC001607417503 1019005113 /nfs/dbraw/zinc/00/51/13/1019005113.db2.gz LRCGUENAVLKZMG-VIFPVBQESA-N -1 0 324.341 -0.107 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cnc(C2OCCO2)s1)C(=O)[O-] ZINC001607425306 1019006646 /nfs/dbraw/zinc/00/66/46/1019006646.db2.gz FZFXTIWYVLCNBO-VDTYLAMSSA-N -1 0 302.308 -0.248 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccc(C(N)=O)c(Cl)n1)C(=O)[O-] ZINC001607424631 1019006665 /nfs/dbraw/zinc/00/66/65/1019006665.db2.gz CZFJIQRAUSVJLG-FBCQKBJTSA-N -1 0 301.686 -0.602 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccccc1SCC(N)=O)C(=O)[O-] ZINC001607425484 1019007208 /nfs/dbraw/zinc/00/72/08/1019007208.db2.gz MLAQEEPGWXRJPE-HQJQHLMTSA-N -1 0 312.347 -0.172 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)CCCO2)C[C@@H](C(=O)[O-])O1 ZINC001607429002 1019007530 /nfs/dbraw/zinc/00/75/30/1019007530.db2.gz VYGFSKNOCKOEER-BFVZDQMLSA-N -1 0 314.338 -0.628 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCCCC(=O)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001607430853 1019009284 /nfs/dbraw/zinc/00/92/84/1019009284.db2.gz KEJLVMZCARMMEC-KOLCDFICSA-N -1 0 312.322 -0.732 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@]23CCOC3)C[C@@H](C(=O)[O-])O1 ZINC001607429048 1019009739 /nfs/dbraw/zinc/00/97/39/1019009739.db2.gz SOALKFGHUHDTRH-ISTVAULSSA-N -1 0 312.322 -0.922 20 0 DBADRM C[C@@H]1CN(C(=O)NCC2(S(C)(=O)=O)CC2)C[C@@H](C(=O)[O-])O1 ZINC001607432853 1019010021 /nfs/dbraw/zinc/01/00/21/1019010021.db2.gz JXPOFMPNPSGHOO-BDAKNGLRSA-N -1 0 320.367 -0.553 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H](c2cncn2C)N(C)C)C[C@@H](C(=O)[O-])O1 ZINC001607430444 1019010485 /nfs/dbraw/zinc/01/04/85/1019010485.db2.gz ZKOOWGDFDVNUEH-ADEWGFFLSA-N -1 0 310.354 -0.277 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cnn(C)c2)C[C@H]1CC(=O)[O-] ZINC001607429027 1019010565 /nfs/dbraw/zinc/01/05/65/1019010565.db2.gz SGMKKWTUNOEOKJ-ZYHUDNBSSA-N -1 0 322.365 -0.052 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CC2)CCS1(=O)=O ZINC001607438617 1019011112 /nfs/dbraw/zinc/01/11/12/1019011112.db2.gz AXWKETNINAKHSC-MRVPVSSYSA-N -1 0 311.381 -0.700 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCC(c3nc(N)n[nH]3)CC2)O[C@H]1C(=O)[O-] ZINC001607439803 1019011613 /nfs/dbraw/zinc/01/16/13/1019011613.db2.gz ROGGRANFCYCNNL-SZEHBUNVSA-N -1 0 323.353 -0.029 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCS(=O)(=O)CC2CC2)O[C@H]1C(=O)[O-] ZINC001607442483 1019012324 /nfs/dbraw/zinc/01/23/24/1019012324.db2.gz DAXLIBNQDCYCSI-FBIMIBRVSA-N -1 0 319.379 -0.194 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)COCC(F)F ZINC001607453394 1019014645 /nfs/dbraw/zinc/01/46/45/1019014645.db2.gz CFWXKYVIHSUVQV-SSDOTTSWSA-N -1 0 318.280 -0.205 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@]1(F)CCOC1 ZINC001607454193 1019014864 /nfs/dbraw/zinc/01/48/64/1019014864.db2.gz VKVBUAWJKYSKQZ-OQPBUACISA-N -1 0 312.301 -0.358 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N(C)Cc1cccc(=O)[nH]1)C(=O)[O-] ZINC001607458679 1019015275 /nfs/dbraw/zinc/01/52/75/1019015275.db2.gz OCKGGFYTJYSAFN-IUCAKERBSA-N -1 0 324.337 -0.094 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)Cc1c[nH]cn1 ZINC001607453892 1019015493 /nfs/dbraw/zinc/01/54/93/1019015493.db2.gz NMWVSFDASQWAGV-MRVPVSSYSA-N -1 0 304.310 -0.521 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CCc2c[nH]nc2C1)C(=O)[O-] ZINC001607459135 1019015524 /nfs/dbraw/zinc/01/55/24/1019015524.db2.gz WLTFMHHXLZLDQD-CIUDSAMLSA-N -1 0 308.338 -0.391 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1C[C@@H](O)CC(F)(F)C1)C(=O)[O-] ZINC001607458482 1019015617 /nfs/dbraw/zinc/01/56/17/1019015617.db2.gz KRFWGNCEAOLSCA-FXQIFTODSA-N -1 0 323.296 -0.624 20 0 DBADRM C[C@H](NC(=O)[C@H](C)N1C(=O)[C@H]2CSCCN2C1=O)C(=O)[O-] ZINC001607456456 1019016339 /nfs/dbraw/zinc/01/63/39/1019016339.db2.gz IFDXMWRVGFESKU-BIIVOSGPSA-N -1 0 315.351 -0.656 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)C(C)(C)C)C(=O)[O-] ZINC001607458179 1019016354 /nfs/dbraw/zinc/01/63/54/1019016354.db2.gz HBCYGPLFIWGHDO-YUMQZZPRSA-N -1 0 301.343 -0.757 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cnon2)CCN1c1ccnc(C(=O)[O-])n1 ZINC001607448720 1019016415 /nfs/dbraw/zinc/01/64/15/1019016415.db2.gz NLPOIHASTNJUEL-SFYZADRCSA-N -1 0 318.293 -0.045 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001607451372 1019016594 /nfs/dbraw/zinc/01/65/94/1019016594.db2.gz QAMHCXUEUKPMOA-SSDOTTSWSA-N -1 0 305.290 -0.086 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCCc1ccn(C)n1)C(=O)[O-] ZINC001607459399 1019017250 /nfs/dbraw/zinc/01/72/50/1019017250.db2.gz OPKWDGZQRUTFJB-IUCAKERBSA-N -1 0 311.342 -0.760 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCn2cccc2C1)C(=O)[O-] ZINC001607459819 1019017393 /nfs/dbraw/zinc/01/73/93/1019017393.db2.gz WZVGRHWWIQARQT-UWVGGRQHSA-N -1 0 308.338 -0.009 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C2CC2)CC[C@H]1C(=O)[O-] ZINC001607466926 1019018056 /nfs/dbraw/zinc/01/80/56/1019018056.db2.gz NVDBUIOPKGRJMX-MVWJERBFSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@H](O)[C@@H](F)C2)CC[C@H]1C(=O)[O-] ZINC001607467211 1019018232 /nfs/dbraw/zinc/01/82/32/1019018232.db2.gz RCZKAEOYZDGYPV-VLEAKVRGSA-N -1 0 316.329 -0.513 20 0 DBADRM C[C@H]1C(=O)NCCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001607462920 1019018284 /nfs/dbraw/zinc/01/82/84/1019018284.db2.gz IAILGEQGTKAYIC-VIFPVBQESA-N -1 0 307.306 -0.717 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N(C)CC1(C)COC1)C(=O)[O-] ZINC001607459334 1019018466 /nfs/dbraw/zinc/01/84/66/1019018466.db2.gz ZJLCVCRYYIOFCJ-IUCAKERBSA-N -1 0 301.343 -0.358 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCC1(CO)CCCC1)C(=O)[O-] ZINC001607459996 1019018851 /nfs/dbraw/zinc/01/88/51/1019018851.db2.gz ZNJZHIQGPOJURC-UWVGGRQHSA-N -1 0 315.370 -0.184 20 0 DBADRM C[C@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@@H](C(=O)[O-])O1 ZINC001607471401 1019020295 /nfs/dbraw/zinc/02/02/95/1019020295.db2.gz NAFHQQDZPPGDDG-IUCAKERBSA-N -1 0 305.294 -0.633 20 0 DBADRM C[C@H]1CN(C(=O)COc2ccc(C(N)=O)cc2)C[C@@H](C(=O)[O-])O1 ZINC001607469368 1019020696 /nfs/dbraw/zinc/02/06/96/1019020696.db2.gz VITUOKALRFVTMR-CABZTGNLSA-N -1 0 322.317 -0.135 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@]2(C)CC2(F)F)C[C@@H](C(=O)[O-])O1 ZINC001607467579 1019021031 /nfs/dbraw/zinc/02/10/31/1019021031.db2.gz AYBJKYSKKMUTOK-UBJUHAIHSA-N -1 0 320.292 -0.152 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)C[C@@H](C(=O)[O-])O1 ZINC001607467584 1019021221 /nfs/dbraw/zinc/02/12/21/1019021221.db2.gz AZLFSGKXVAZFSN-NGDQXYMTSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCn3ncnc3C2)C[C@]1(C)C(=O)[O-] ZINC001607468097 1019021430 /nfs/dbraw/zinc/02/14/30/1019021430.db2.gz QSOJNLCUOWAGDL-XPTSAGLGSA-N -1 0 321.337 -0.811 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@@H](C(=O)[O-])O1 ZINC001607468141 1019021487 /nfs/dbraw/zinc/02/14/87/1019021487.db2.gz GIBCKFPLSJWKPW-QXEWZRGKSA-N -1 0 322.321 -0.537 20 0 DBADRM C[C@H]1CN(C(=O)NCC[C@H]2CC(=O)N(C)C2)C[C@@H](C(=O)[O-])O1 ZINC001607469894 1019021527 /nfs/dbraw/zinc/02/15/27/1019021527.db2.gz FUQLZFGZVIQHRW-DCAQKATOSA-N -1 0 313.354 -0.262 20 0 DBADRM C[C@H]1CN(S(=O)(=O)C[C@H]2CN(C)CCO2)C[C@]1(C)C(=O)[O-] ZINC001607478257 1019021875 /nfs/dbraw/zinc/02/18/75/1019021875.db2.gz IOUODKIKOJDCGC-LOWVWBTDSA-N -1 0 320.411 -0.311 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001607484079 1019022862 /nfs/dbraw/zinc/02/28/62/1019022862.db2.gz SNBSBNRVPBROCR-WPRPVWTQSA-N -1 0 311.294 -0.825 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001607483407 1019023128 /nfs/dbraw/zinc/02/31/28/1019023128.db2.gz OIFJKUNUPONDPE-SSDOTTSWSA-N -1 0 323.334 -0.072 20 0 DBADRM C[C@H]1CN(S(=O)(=O)C[C@@H]2CN(C)CCO2)C[C@]1(C)C(=O)[O-] ZINC001607478248 1019023241 /nfs/dbraw/zinc/02/32/41/1019023241.db2.gz IOUODKIKOJDCGC-GVXVVHGQSA-N -1 0 320.411 -0.311 20 0 DBADRM C[C@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001607476195 1019024069 /nfs/dbraw/zinc/02/40/69/1019024069.db2.gz HGZUVGCBYPIXHE-AXFHLTTASA-N -1 0 306.384 -0.558 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@@]1(O)CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001607480619 1019024512 /nfs/dbraw/zinc/02/45/12/1019024512.db2.gz NWHGDMMDOBNBNI-YHAQOWFVSA-N -1 0 320.349 -0.112 20 0 DBADRM Cc1c(C(=O)[O-])csc1NC(=O)C(=O)NCC(=O)N(C)C ZINC001607518817 1019025579 /nfs/dbraw/zinc/02/55/79/1019025579.db2.gz JOPARSLLWWRHBS-UHFFFAOYSA-N -1 0 313.335 -0.102 20 0 DBADRM Cc1[nH]nc2ncc(C(=O)N3CC(=O)N(C)C[C@@H]3C(=O)[O-])cc12 ZINC001607500666 1019026463 /nfs/dbraw/zinc/02/64/63/1019026463.db2.gz TZOFIXZDEAAEHJ-SNVBAGLBSA-N -1 0 317.305 -0.366 20 0 DBADRM Cc1c(C(=O)N[C@H](CO)C(=O)[O-])nnn1Cc1ccncc1 ZINC001607508410 1019026956 /nfs/dbraw/zinc/02/69/56/1019026956.db2.gz RXZZIPGKCOGEOM-SNVBAGLBSA-N -1 0 305.294 -0.795 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@@H](C)[C@@H](O)C2)cnn1CC(=O)[O-] ZINC001607535123 1019028165 /nfs/dbraw/zinc/02/81/65/1019028165.db2.gz HZAALTAHLFCHBO-XCBNKYQSSA-N -1 0 310.310 -0.946 20 0 DBADRM Cc1c[nH]nc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607556593 1019028570 /nfs/dbraw/zinc/02/85/70/1019028570.db2.gz QRGVSXQXSLNDHA-KYXWUPHJSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1c(CC(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cnn1C ZINC001607526453 1019029512 /nfs/dbraw/zinc/02/95/12/1019029512.db2.gz NMMLDVVZGWZEOQ-RYUDHWBXSA-N -1 0 320.349 -0.681 20 0 DBADRM Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n(C)n1 ZINC001607571917 1019030868 /nfs/dbraw/zinc/03/08/68/1019030868.db2.gz SARGHUAUBBMABG-GHMZBOCLSA-N -1 0 320.349 -0.266 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001607560749 1019031391 /nfs/dbraw/zinc/03/13/91/1019031391.db2.gz RRMGHFNNBHQIBJ-NXEZZACHSA-N -1 0 309.322 -0.007 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001607560750 1019031549 /nfs/dbraw/zinc/03/15/49/1019031549.db2.gz RRMGHFNNBHQIBJ-UWVGGRQHSA-N -1 0 309.322 -0.007 20 0 DBADRM Cc1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)ncn1 ZINC001607577786 1019031565 /nfs/dbraw/zinc/03/15/65/1019031565.db2.gz USQGKWDJIYQYPO-NXEZZACHSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)ncn1 ZINC001607579498 1019032334 /nfs/dbraw/zinc/03/23/34/1019032334.db2.gz ZUQYIBXQYIOJBL-GHMZBOCLSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)on1 ZINC001607641526 1019034364 /nfs/dbraw/zinc/03/43/64/1019034364.db2.gz IYGQKNSTEAFTHP-SNVBAGLBSA-N -1 0 311.294 -0.699 20 0 DBADRM Cc1cc(C)c(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c(=O)[nH]1 ZINC001607620058 1019035123 /nfs/dbraw/zinc/03/51/23/1019035123.db2.gz GEPUGUHULRSKTM-NSHDSACASA-N -1 0 321.333 -0.252 20 0 DBADRM Cc1cc(C[C@H](C)NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[nH]n1 ZINC001607635582 1019035239 /nfs/dbraw/zinc/03/52/39/1019035239.db2.gz CMIBSQJXCQXCGB-HGNGGELXSA-N -1 0 308.338 -0.255 20 0 DBADRM Cc1cc(C[C@@H](C)NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[nH]n1 ZINC001607635585 1019035587 /nfs/dbraw/zinc/03/55/87/1019035587.db2.gz CMIBSQJXCQXCGB-SZEHBUNVSA-N -1 0 308.338 -0.255 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CC(C)(C(N)=O)C2)c(C(=O)[O-])[nH]1 ZINC001607671507 1019035943 /nfs/dbraw/zinc/03/59/43/1019035943.db2.gz UGGNGWDPWXKKAN-UHFFFAOYSA-N -1 0 308.294 -0.706 20 0 DBADRM Cc1cc(NC(=O)CN2CCC(=O)NC2=O)ncc1C(=O)[O-] ZINC001607678686 1019036293 /nfs/dbraw/zinc/03/62/93/1019036293.db2.gz XJHQMKONCPYITK-UHFFFAOYSA-N -1 0 306.278 -0.031 20 0 DBADRM Cc1cc(CS(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)no1 ZINC001607653640 1019036754 /nfs/dbraw/zinc/03/67/54/1019036754.db2.gz PMXIEENFPXLACS-UHFFFAOYSA-N -1 0 304.324 -0.372 20 0 DBADRM Cc1cc(NC(=O)CN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)n(C)n1 ZINC001607680178 1019036810 /nfs/dbraw/zinc/03/68/10/1019036810.db2.gz YTFVZDYVYKZOLY-CQSZACIVSA-N -1 0 321.337 -0.028 20 0 DBADRM Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001607656653 1019036827 /nfs/dbraw/zinc/03/68/27/1019036827.db2.gz DIILDSSZCYQVNB-SSDOTTSWSA-N -1 0 315.713 -0.066 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)c(=O)n(C)c1 ZINC001607673275 1019036900 /nfs/dbraw/zinc/03/69/00/1019036900.db2.gz MVMHWKSQWRXMLH-UHFFFAOYSA-N -1 0 307.306 -0.387 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1N ZINC001607669591 1019037281 /nfs/dbraw/zinc/03/72/81/1019037281.db2.gz AFBTZYGTVQVXNL-NSHDSACASA-N -1 0 307.306 -0.172 20 0 DBADRM CN(CCCN(C)C(=O)c1ccnnc1)Cc1n[nH]c(=O)[n-]1 ZINC001502376931 1019038727 /nfs/dbraw/zinc/03/87/27/1019038727.db2.gz BXPLCMPSFDCEFB-UHFFFAOYSA-N -1 0 305.342 -0.106 20 0 DBADRM Cc1ccc(-n2cnnn2)cc1NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001607721099 1019038709 /nfs/dbraw/zinc/03/87/09/1019038709.db2.gz MWSWGJIXNWUNNW-UHFFFAOYSA-N -1 0 318.293 -0.366 20 0 DBADRM Cc1ccc(C(=O)NC[C@H](O)CC(=O)[O-])cc1S(N)(=O)=O ZINC001607731164 1019039956 /nfs/dbraw/zinc/03/99/56/1019039956.db2.gz ZRITVWWMKIXECQ-SECBINFHSA-N -1 0 316.335 -0.792 20 0 DBADRM Cc1cc(S(=O)(=O)N(C)[C@H]2CCNC2=O)oc1C(=O)[O-] ZINC001607703235 1019041113 /nfs/dbraw/zinc/04/11/13/1019041113.db2.gz GPCFETGULMTSDM-ZETCQYMHSA-N -1 0 302.308 -0.205 20 0 DBADRM Cc1ccc(-c2cc(C(=O)NCC(=O)NCC(=O)[O-])[nH]n2)o1 ZINC001607715544 1019041298 /nfs/dbraw/zinc/04/12/98/1019041298.db2.gz QJZJGLWPVXUUJB-UHFFFAOYSA-N -1 0 306.278 -0.091 20 0 DBADRM Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1C ZINC001607728739 1019041353 /nfs/dbraw/zinc/04/13/53/1019041353.db2.gz XFRGMZIIWLSPQH-SNVBAGLBSA-N -1 0 300.336 -0.343 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2CC(C)(C(N)=O)C2)c(C(=O)[O-])c1 ZINC001607794835 1019041642 /nfs/dbraw/zinc/04/16/42/1019041642.db2.gz QSEGPKLANBGVCE-UHFFFAOYSA-N -1 0 319.317 -0.034 20 0 DBADRM Cc1cccc(NC(=O)C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c1 ZINC001607857412 1019041681 /nfs/dbraw/zinc/04/16/81/1019041681.db2.gz PXIIDYDDRVVQFQ-NSHDSACASA-N -1 0 319.317 -0.313 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N(C)C[C@H](O)CO)cc1C(=O)[O-] ZINC001607794864 1019041957 /nfs/dbraw/zinc/04/19/57/1019041957.db2.gz RBBFMQSTJIKGAD-JTQLQIEISA-N -1 0 310.306 -0.557 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(C)(CO)CO)c(C(=O)[O-])c1 ZINC001607819496 1019041988 /nfs/dbraw/zinc/04/19/88/1019041988.db2.gz JSADHLBGVJOBBR-UHFFFAOYSA-N -1 0 317.363 -0.038 20 0 DBADRM Cc1ccc(CCC(=O)NCC(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC001607774491 1019042584 /nfs/dbraw/zinc/04/25/84/1019042584.db2.gz XPWHUIRMPPMXDO-GFCCVEGCSA-N -1 0 308.334 -0.394 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)nc1 ZINC001607781697 1019043145 /nfs/dbraw/zinc/04/31/45/1019043145.db2.gz SDIDINFBNICESD-PWSUYJOCSA-N -1 0 321.333 -0.293 20 0 DBADRM Cc1ccc(CNC(=O)NCC(=O)NC[C@@H](O)CC(=O)[O-])cc1 ZINC001607782972 1019043735 /nfs/dbraw/zinc/04/37/35/1019043735.db2.gz VMYOAFQRXKICCA-LBPRGKRZSA-N -1 0 323.349 -0.254 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@H](CF)C(=O)[O-])cc1C(N)=O ZINC001607820689 1019043761 /nfs/dbraw/zinc/04/37/61/1019043761.db2.gz QOXPLPOCXUSEJX-SECBINFHSA-N -1 0 304.299 -0.205 20 0 DBADRM Cc1ccnc2nc(C(=O)NCCC(=O)NCCC(=O)[O-])nn21 ZINC001607896583 1019044608 /nfs/dbraw/zinc/04/46/08/1019044608.db2.gz LRZRZHVWMXSZQW-UHFFFAOYSA-N -1 0 320.309 -0.856 20 0 DBADRM Cc1cn(C)nc1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607901121 1019045696 /nfs/dbraw/zinc/04/56/96/1019045696.db2.gz KOGPAHKVYFIDMU-QWRGUYRKSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001607901077 1019046293 /nfs/dbraw/zinc/04/62/93/1019046293.db2.gz JKCJNALTVCNYNB-VIFPVBQESA-N -1 0 318.337 -0.131 20 0 DBADRM Cc1cncn1CC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607915074 1019048239 /nfs/dbraw/zinc/04/82/39/1019048239.db2.gz NRWDAASZGGSMKX-NEPJUHHUSA-N -1 0 320.349 -0.419 20 0 DBADRM Cc1cnc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001607905867 1019048574 /nfs/dbraw/zinc/04/85/74/1019048574.db2.gz VQBFYHOAYXBMCA-GHMZBOCLSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1cnc2c(C(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)cnn2c1 ZINC001607909044 1019048700 /nfs/dbraw/zinc/04/87/00/1019048700.db2.gz DJDYYLSRLFKMNF-ZJUUUORDSA-N -1 0 304.306 -0.055 20 0 DBADRM Cc1cncn1CC(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001607914378 1019049089 /nfs/dbraw/zinc/04/90/89/1019049089.db2.gz UOBNMCUQSQIMNG-SECBINFHSA-N -1 0 318.337 -0.282 20 0 DBADRM Cc1csc(NC(=O)C(=O)NC2(C(N)=O)CC2)c1C(=O)[O-] ZINC001607930900 1019050354 /nfs/dbraw/zinc/05/03/54/1019050354.db2.gz KRAKVWYJTUYOFF-UHFFFAOYSA-N -1 0 311.319 -0.173 20 0 DBADRM Cc1conc1CS(=O)(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001607923132 1019050434 /nfs/dbraw/zinc/05/04/34/1019050434.db2.gz SDXZDJIMHLBHFI-SECBINFHSA-N -1 0 317.323 -0.960 20 0 DBADRM Cc1conc1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001607922554 1019050537 /nfs/dbraw/zinc/05/05/37/1019050537.db2.gz HSFCMKHYYSHGKS-UWVGGRQHSA-N -1 0 307.306 -0.012 20 0 DBADRM Cc1[nH]nc(Cl)c1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001607936825 1019050590 /nfs/dbraw/zinc/05/05/90/1019050590.db2.gz NBTBVUAQRLDXRN-ZCFIWIBFSA-N -1 0 300.702 -0.261 20 0 DBADRM COCCCN1CC2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])CCO2 ZINC001502411826 1019050712 /nfs/dbraw/zinc/05/07/12/1019050712.db2.gz WVQAVJKZCZQDAW-UHFFFAOYSA-N -1 0 324.381 -0.013 20 0 DBADRM Cc1csc(C(=O)[O-])c1NC(=O)C(=O)N(CCO)CCO ZINC001607924177 1019050956 /nfs/dbraw/zinc/05/09/56/1019050956.db2.gz RKIUEZNTGYHVMW-UHFFFAOYSA-N -1 0 316.335 -0.494 20 0 DBADRM Cc1nc(N2CCN(Cc3cnc(C(=O)[O-])cn3)CC2)n[nH]1 ZINC001607937074 1019050972 /nfs/dbraw/zinc/05/09/72/1019050972.db2.gz RSTFXJFNRXAOKF-UHFFFAOYSA-N -1 0 303.326 -0.076 20 0 DBADRM Cc1csc(C(=O)[O-])c1NC(=O)C(=O)N[C@H]1CNC(=O)C1 ZINC001607922607 1019051574 /nfs/dbraw/zinc/05/15/74/1019051574.db2.gz BUKVUMUWOCLWJP-ZCFIWIBFSA-N -1 0 311.319 -0.302 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001607937112 1019051675 /nfs/dbraw/zinc/05/16/75/1019051675.db2.gz QOTZVBVJKKXJMW-RCOVLWMOSA-N -1 0 303.340 -0.111 20 0 DBADRM Cc1cnoc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607918165 1019051759 /nfs/dbraw/zinc/05/17/59/1019051759.db2.gz KFIDDQZLFRLBNW-ZJUUUORDSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NCC(=O)N1CCN(C)CC1 ZINC001607920350 1019052540 /nfs/dbraw/zinc/05/25/40/1019052540.db2.gz MEOJTNJDMSQZLJ-UHFFFAOYSA-N -1 0 323.349 -0.281 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N[C@H]3CC=C(C(=O)[O-])C3)nn2)no1 ZINC001607961299 1019054351 /nfs/dbraw/zinc/05/43/51/1019054351.db2.gz NWSNGNMINJZOLS-VIFPVBQESA-N -1 0 318.293 -0.079 20 0 DBADRM Cc1nc(C)c(CC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c(=O)[nH]1 ZINC001607947271 1019054425 /nfs/dbraw/zinc/05/44/25/1019054425.db2.gz GRSRKCRTKDOPMG-VHSXEESVSA-N -1 0 309.322 -0.364 20 0 DBADRM Cc1nc(CS(=O)(=O)N(CC(=O)[O-])C2CCOCC2)no1 ZINC001607959727 1019054734 /nfs/dbraw/zinc/05/47/34/1019054734.db2.gz HTODCKNOCOESOQ-UHFFFAOYSA-N -1 0 319.339 -0.227 20 0 DBADRM Cc1nc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c[nH]1 ZINC001607943571 1019055367 /nfs/dbraw/zinc/05/53/67/1019055367.db2.gz BIYLQEBCBZSWLO-ZJUUUORDSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1ncc(C(=O)N[C@@H](C)CNc2ccnc(C(=O)[O-])n2)[nH]1 ZINC001607945478 1019055737 /nfs/dbraw/zinc/05/57/37/1019055737.db2.gz VHBYHMHGGMIALV-ZETCQYMHSA-N -1 0 304.310 -0.141 20 0 DBADRM Cc1nc(C)c(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)[nH]1 ZINC001607955786 1019056443 /nfs/dbraw/zinc/05/64/43/1019056443.db2.gz IXQCCXQDKVCSMT-JTQLQIEISA-N -1 0 308.338 -0.034 20 0 DBADRM Cc1nc(CS(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)cs1 ZINC001607960311 1019056563 /nfs/dbraw/zinc/05/65/63/1019056563.db2.gz QOZZZHRCFKTPBY-JTQLQIEISA-N -1 0 306.365 -0.197 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nn1C ZINC001607962870 1019057123 /nfs/dbraw/zinc/05/71/23/1019057123.db2.gz KDMCLAMBFBAFGW-VHSXEESVSA-N -1 0 321.337 -0.369 20 0 DBADRM Cc1nc2c(nccc2C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])[nH]1 ZINC001607968192 1019057235 /nfs/dbraw/zinc/05/72/35/1019057235.db2.gz DHVQJCBRDVQCDK-SECBINFHSA-N -1 0 317.305 -0.318 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)CC2 ZINC001607974613 1019058845 /nfs/dbraw/zinc/05/88/45/1019058845.db2.gz LOGWUALDNNUSNS-GDPRMGEGSA-N -1 0 323.353 -0.215 20 0 DBADRM Cc1ncc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c(C)n1 ZINC001607975517 1019059108 /nfs/dbraw/zinc/05/91/08/1019059108.db2.gz CPGGAYLULBGKFE-WDEREUQCSA-N -1 0 318.333 -0.245 20 0 DBADRM Cc1ncn(C)c1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001607990387 1019060305 /nfs/dbraw/zinc/06/03/05/1019060305.db2.gz HMBMVDBSVLDCGC-GHMZBOCLSA-N -1 0 320.349 -0.266 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001607995450 1019060486 /nfs/dbraw/zinc/06/04/86/1019060486.db2.gz AONCIGZLSPWTPX-GHMZBOCLSA-N -1 0 317.305 -0.369 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@H]1CN(C)CCO1 ZINC001608004595 1019063403 /nfs/dbraw/zinc/06/34/03/1019063403.db2.gz NWWKTUXGTUEHSF-GFCCVEGCSA-N -1 0 310.354 -0.469 20 0 DBADRM Cc1nn(CC(=O)N[C@H](CC(=O)[O-])c2ccncc2)c(=O)n1C ZINC001608004248 1019063456 /nfs/dbraw/zinc/06/34/56/1019063456.db2.gz SMTYUPSIGGDTER-LLVKDONJSA-N -1 0 319.321 -0.383 20 0 DBADRM Cc1nn(C)c(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1C ZINC001608002073 1019063496 /nfs/dbraw/zinc/06/34/96/1019063496.db2.gz QJXUZOHZRIGREP-JTQLQIEISA-N -1 0 324.337 -0.322 20 0 DBADRM Cc1nn(C)c2ncc(C(=O)N[C@@]3(C(=O)[O-])C[C@@H](O)C3)cc12 ZINC001608002602 1019063571 /nfs/dbraw/zinc/06/35/71/1019063571.db2.gz LXXWUQPKFXIGGJ-DEZZCRIOSA-N -1 0 304.306 -0.015 20 0 DBADRM Cc1nn(C)c(C)c1CNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001607998947 1019063907 /nfs/dbraw/zinc/06/39/07/1019063907.db2.gz KMQVAOQYFADGOV-PRHODGIISA-N -1 0 322.365 -0.168 20 0 DBADRM Cc1nn(C)cc1CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001608003039 1019064656 /nfs/dbraw/zinc/06/46/56/1019064656.db2.gz BSFYAWKUKCODLB-UHFFFAOYSA-N -1 0 313.339 -0.063 20 0 DBADRM Cc1nn(Cc2ccccc2)c(N)c1C(=O)N[C@H](CO)C(=O)[O-] ZINC001608011641 1019064846 /nfs/dbraw/zinc/06/48/46/1019064846.db2.gz PKDPIQRJCDRIJH-LLVKDONJSA-N -1 0 318.333 -0.003 20 0 DBADRM Cc1nn(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c(=O)o1 ZINC001608010937 1019065006 /nfs/dbraw/zinc/06/50/06/1019065006.db2.gz AQAQJSZJEQDKRD-SECBINFHSA-N -1 0 308.298 -0.271 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@H](C(=O)NC[C@@H](O)CC(=O)[O-])C1 ZINC001608004924 1019065301 /nfs/dbraw/zinc/06/53/01/1019065301.db2.gz KCCURQJCVXRRHE-KWQFWETISA-N -1 0 310.310 -0.827 20 0 DBADRM Cc1nnccc1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001608017506 1019065921 /nfs/dbraw/zinc/06/59/21/1019065921.db2.gz ATJCUJCTFFUFSM-UHFFFAOYSA-N -1 0 308.338 -0.356 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)n1C ZINC001608016817 1019066492 /nfs/dbraw/zinc/06/64/92/1019066492.db2.gz XNCVDCKAUMJZME-CBAPKCEASA-N -1 0 309.326 -0.939 20 0 DBADRM Cc1noc(CCCC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])n1 ZINC001608026570 1019066669 /nfs/dbraw/zinc/06/66/69/1019066669.db2.gz YKGPHYSGWYUZAH-SNVBAGLBSA-N -1 0 324.337 -0.107 20 0 DBADRM Cc1nnsc1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001608018369 1019067193 /nfs/dbraw/zinc/06/71/93/1019067193.db2.gz FERLACRVGDJGIU-DTWKUNHWSA-N -1 0 324.362 -0.150 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)n1 ZINC001608026042 1019067415 /nfs/dbraw/zinc/06/74/15/1019067415.db2.gz LQHAWFJYHCKGSW-VXNVDRBHSA-N -1 0 310.310 -0.342 20 0 DBADRM Cc1noc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001608019766 1019067576 /nfs/dbraw/zinc/06/75/76/1019067576.db2.gz LNXUKQAFCIWEJD-CYBMUJFWSA-N -1 0 310.310 -0.620 20 0 DBADRM Cc1nnc(CC(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001608013773 1019068057 /nfs/dbraw/zinc/06/80/57/1019068057.db2.gz NYOHHTWXQPOLPD-VHSXEESVSA-N -1 0 322.321 -0.784 20 0 DBADRM Cc1oc(CNC(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)cc1C(=O)[O-] ZINC001608049574 1019069286 /nfs/dbraw/zinc/06/92/86/1019069286.db2.gz FKGDPRIMVYSHIX-BJOHPYRUSA-N -1 0 322.317 -0.114 20 0 DBADRM Cc1noc(CNC(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)n1 ZINC001608028078 1019069413 /nfs/dbraw/zinc/06/94/13/1019069413.db2.gz QYWQYHJZYJWCDX-SECBINFHSA-N -1 0 310.310 -0.389 20 0 DBADRM Cc1oc(C(=O)N[C@@H](C)/C=C/C(=O)[O-])cc1S(N)(=O)=O ZINC001608032224 1019070361 /nfs/dbraw/zinc/07/03/61/1019070361.db2.gz RUXSPIFVOHCXPS-YUDCMIJISA-N -1 0 302.308 -0.005 20 0 DBADRM Cc1oc(CNC(=O)c2cnn(C[C@H](O)CO)c2)cc1C(=O)[O-] ZINC001608048676 1019071026 /nfs/dbraw/zinc/07/10/26/1019071026.db2.gz QLIHAKIDHJRYFM-JTQLQIEISA-N -1 0 323.305 -0.234 20 0 DBADRM Cc1ocnc1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001608056617 1019073537 /nfs/dbraw/zinc/07/35/37/1019073537.db2.gz OIDJMSFNQRJEKB-VHSXEESVSA-N -1 0 307.306 -0.013 20 0 DBADRM Cn1c([C@H]2CCCC(=O)N2)nnc1N1CCO[C@H](CC(=O)[O-])C1 ZINC001608092626 1019074279 /nfs/dbraw/zinc/07/42/79/1019074279.db2.gz ZMGMACJKADTECT-NXEZZACHSA-N -1 0 323.353 -0.164 20 0 DBADRM Cn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1[C@]1(C)CCC(=O)NC1 ZINC001608091526 1019075223 /nfs/dbraw/zinc/07/52/23/1019075223.db2.gz NXLDZFWZVPDYKX-YMTOWFKASA-N -1 0 323.353 -0.727 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001608093201 1019075403 /nfs/dbraw/zinc/07/54/03/1019075403.db2.gz WNUHIDHNXWRCGY-JGVFFNPUSA-N -1 0 314.367 -0.010 20 0 DBADRM Cn1cc(-n2cc(C(=O)NC[C@H](F)C(=O)[O-])ccc2=O)cn1 ZINC001608093454 1019076001 /nfs/dbraw/zinc/07/60/01/1019076001.db2.gz FIZNYSRRQKPGQF-JTQLQIEISA-N -1 0 308.269 -0.277 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NCc1nnc2n1CCOC2 ZINC001608083620 1019076380 /nfs/dbraw/zinc/07/63/80/1019076380.db2.gz LTUQANOLYKIPRR-UHFFFAOYSA-N -1 0 305.294 -0.225 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC001608082904 1019076448 /nfs/dbraw/zinc/07/64/48/1019076448.db2.gz LXMPGDMNZOLCBK-QMMMGPOBSA-N -1 0 315.351 -0.526 20 0 DBADRM Cn1cc(-n2cc(C(=O)N[C@H](CF)C(=O)[O-])ccc2=O)cn1 ZINC001608093571 1019076635 /nfs/dbraw/zinc/07/66/35/1019076635.db2.gz FXWNYFIEOVNSLA-SNVBAGLBSA-N -1 0 308.269 -0.277 20 0 DBADRM Cn1cc(-c2nn(C)cc2C(=O)NCC[C@H](O)C(=O)[O-])cn1 ZINC001608094355 1019076650 /nfs/dbraw/zinc/07/66/50/1019076650.db2.gz FWFPQBCCCYRZMV-JTQLQIEISA-N -1 0 307.310 -0.614 20 0 DBADRM Cn1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001608097899 1019077191 /nfs/dbraw/zinc/07/71/91/1019077191.db2.gz AHAJKDYEPSXRCW-WDEREUQCSA-N -1 0 306.322 -0.671 20 0 DBADRM Cn1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)c(=O)[nH]c1=O ZINC001608097012 1019077423 /nfs/dbraw/zinc/07/74/23/1019077423.db2.gz YSLADXRZMOAVQB-JTQLQIEISA-N -1 0 319.273 -0.253 20 0 DBADRM Cn1cc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c(=O)[nH]c1=O ZINC001608098681 1019077467 /nfs/dbraw/zinc/07/74/67/1019077467.db2.gz UFIZQBIVVGFQEI-YFKPBYRVSA-N -1 0 309.200 -0.379 20 0 DBADRM Cn1cc(C(=O)CCC(=O)NC[C@]2(C(=O)[O-])CCOC2)cn1 ZINC001608096645 1019077509 /nfs/dbraw/zinc/07/75/09/1019077509.db2.gz HXUCMAMTIWSGCM-CQSZACIVSA-N -1 0 309.322 -0.010 20 0 DBADRM Cn1cc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)n(C)c1=O ZINC001608096820 1019077773 /nfs/dbraw/zinc/07/77/73/1019077773.db2.gz KKSNDNLMEUVQLH-JTQLQIEISA-N -1 0 311.338 -0.180 20 0 DBADRM Cn1cc(C(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CCC2)nn1 ZINC001608098893 1019077886 /nfs/dbraw/zinc/07/78/86/1019077886.db2.gz YDHOCPHIXBEXGJ-DTWKUNHWSA-N -1 0 321.337 -0.696 20 0 DBADRM Cn1cc(C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])ccc1=O ZINC001608098213 1019077952 /nfs/dbraw/zinc/07/79/52/1019077952.db2.gz MKPXONACBHDQRQ-CQSZACIVSA-N -1 0 304.306 -0.145 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)Nc2cc(C(=O)[O-])nn2C)cn1 ZINC001608105379 1019078559 /nfs/dbraw/zinc/07/85/59/1019078559.db2.gz BYCKYVSIMQHTRC-VIFPVBQESA-N -1 0 308.298 -0.293 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)NCCN2CCNC2=S)n1 ZINC001608101819 1019078613 /nfs/dbraw/zinc/07/86/13/1019078613.db2.gz AZUKRNJNGDJWJP-UHFFFAOYSA-N -1 0 312.355 -0.570 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)N3CCO[C@H](CC(=O)[O-])C3)C2)cn1 ZINC001608106136 1019078991 /nfs/dbraw/zinc/07/89/91/1019078991.db2.gz CBHRKCATMCHFJW-ZYHUDNBSSA-N -1 0 322.321 -0.385 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)NCCCc2c[nH][nH]c2=O)n1 ZINC001608102494 1019080057 /nfs/dbraw/zinc/08/00/57/1019080057.db2.gz KRSVDPYDYFADGG-ZETCQYMHSA-N -1 0 308.298 -0.248 20 0 DBADRM Cn1cc(CCOC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)cn1 ZINC001608109608 1019080096 /nfs/dbraw/zinc/08/00/96/1019080096.db2.gz JGRUTAUGROFRFT-LLVKDONJSA-N -1 0 309.322 -0.171 20 0 DBADRM Cn1cc(C(=O)OC2CCC(C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC001608101071 1019080437 /nfs/dbraw/zinc/08/04/37/1019080437.db2.gz PUMQUMKITFIMGE-UHFFFAOYSA-N -1 0 310.306 -0.116 20 0 DBADRM Cn1cc(CCC(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)cn1 ZINC001608108471 1019080606 /nfs/dbraw/zinc/08/06/06/1019080606.db2.gz OAYDHJSGPCEMSH-LLVKDONJSA-N -1 0 309.322 -0.029 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])C2)cn1 ZINC001608107023 1019080810 /nfs/dbraw/zinc/08/08/10/1019080810.db2.gz JMAMJUZDFHCIOR-JFUSQASVSA-N -1 0 322.321 -0.481 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CCC2(C1)OCCO2 ZINC001608102144 1019080832 /nfs/dbraw/zinc/08/08/32/1019080832.db2.gz JAAFJRJZKWENMG-UHFFFAOYSA-N -1 0 316.335 -0.139 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)NCC1([S@](C)=O)CC1 ZINC001608101902 1019080852 /nfs/dbraw/zinc/08/08/52/1019080852.db2.gz GREWVUSHTJTDHD-IBGZPJMESA-N -1 0 320.392 -0.087 20 0 DBADRM Cn1cc(Cl)c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001608115056 1019081415 /nfs/dbraw/zinc/08/14/15/1019081415.db2.gz ZHVAEQMNDUHMFH-ZETCQYMHSA-N -1 0 321.742 -0.603 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])ccc1=O ZINC001608116695 1019081565 /nfs/dbraw/zinc/08/15/65/1019081565.db2.gz ZSRAROCHIJNGER-UHFFFAOYSA-N -1 0 309.322 -0.059 20 0 DBADRM Cn1cc(CNS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])nn1 ZINC001608114360 1019081804 /nfs/dbraw/zinc/08/18/04/1019081804.db2.gz NMXBPZOXMXXVBX-VHSXEESVSA-N -1 0 302.356 -0.122 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])cn1 ZINC001608110405 1019082161 /nfs/dbraw/zinc/08/21/61/1019082161.db2.gz TYLWDZLJLDHNLS-LLVKDONJSA-N -1 0 308.338 -0.456 20 0 DBADRM Cn1cc(CNC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)nn1 ZINC001608111588 1019082270 /nfs/dbraw/zinc/08/22/70/1019082270.db2.gz ICDCTRFBQJBKCN-UHFFFAOYSA-N -1 0 305.298 -0.455 20 0 DBADRM Cn1cc(NC(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)nn1 ZINC001608118279 1019082752 /nfs/dbraw/zinc/08/27/52/1019082752.db2.gz MMTRSPUXRCDBMT-QMMMGPOBSA-N -1 0 320.313 -0.026 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)Nc2cccc(CC(=O)[O-])n2)cn1 ZINC001608110673 1019082886 /nfs/dbraw/zinc/08/28/86/1019082886.db2.gz LCIVDCXATBWZKN-LLVKDONJSA-N -1 0 304.306 -0.016 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N[C@@H](C(=O)[O-])C3CC3)CC2=O)cn1 ZINC001608117673 1019083429 /nfs/dbraw/zinc/08/34/29/1019083429.db2.gz QBEJDEQKZQNSRA-BXKDBHETSA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1ccc([C@@H](NC(=O)c2ccc(C(N)=O)cn2)C(=O)[O-])n1 ZINC001608124373 1019084831 /nfs/dbraw/zinc/08/48/31/1019084831.db2.gz HBHKEIUNYLQKCL-SNVBAGLBSA-N -1 0 303.278 -0.530 20 0 DBADRM Cn1ccc(=O)c(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001608123314 1019084893 /nfs/dbraw/zinc/08/48/93/1019084893.db2.gz GUNDVSALWJZENI-NXEZZACHSA-N -1 0 319.317 -0.953 20 0 DBADRM Cn1ccc(CNC(=O)C(=O)N2CCC(CC(=O)[O-])CC2)n1 ZINC001608124770 1019085949 /nfs/dbraw/zinc/08/59/49/1019085949.db2.gz NNZNTGOPIGCYTR-UHFFFAOYSA-N -1 0 308.338 -0.250 20 0 DBADRM Cn1ccc(-n2cc(CN3CCC([C@@H](O)C(=O)[O-])CC3)nn2)n1 ZINC001608123850 1019086280 /nfs/dbraw/zinc/08/62/80/1019086280.db2.gz WANHLLPHHLIFDO-CYBMUJFWSA-N -1 0 320.353 -0.342 20 0 DBADRM Cn1ccnc(NC(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)c1=O ZINC001608129574 1019086845 /nfs/dbraw/zinc/08/68/45/1019086845.db2.gz SOXLCRDVXUQUQR-BDAKNGLRSA-N -1 0 310.310 -0.361 20 0 DBADRM Cn1ccc([C@H](NC(=O)c2cnc3c(c2)nnn3C)C(=O)[O-])n1 ZINC001608127379 1019087139 /nfs/dbraw/zinc/08/71/39/1019087139.db2.gz YGSUPYVLOPODJX-JTQLQIEISA-N -1 0 315.293 -0.348 20 0 DBADRM Cn1ccnc(N2CCN(Cc3oncc3C(=O)[O-])CC2)c1=O ZINC001608129831 1019087948 /nfs/dbraw/zinc/08/79/48/1019087948.db2.gz ZRWKTOCGBPGOSK-UHFFFAOYSA-N -1 0 319.321 -0.211 20 0 DBADRM Cn1ccc(S(=O)(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)n1 ZINC001608128228 1019088159 /nfs/dbraw/zinc/08/81/59/1019088159.db2.gz WCTLAMNMNLSFLV-IUCAKERBSA-N -1 0 303.340 -0.564 20 0 DBADRM Cn1cnc(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)c1 ZINC001608133959 1019088233 /nfs/dbraw/zinc/08/82/33/1019088233.db2.gz LBZPMVGFTGTCBN-UHFFFAOYSA-N -1 0 304.310 -0.438 20 0 DBADRM Cn1ccn2c(CNC(=O)c3c[nH]c(C(=O)[O-])c3)nnc2c1=O ZINC001608129060 1019088501 /nfs/dbraw/zinc/08/85/01/1019088501.db2.gz LFGSDKAOFDDDGM-UHFFFAOYSA-N -1 0 316.277 -0.616 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)c1=O ZINC001608130343 1019088528 /nfs/dbraw/zinc/08/85/28/1019088528.db2.gz PHHKNSKLJDQYQM-VIFPVBQESA-N -1 0 305.290 -0.387 20 0 DBADRM Cn1ccnc1CNC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001608132318 1019088561 /nfs/dbraw/zinc/08/85/61/1019088561.db2.gz CWKCMTAXLKCUOR-SNVBAGLBSA-N -1 0 320.349 -0.250 20 0 DBADRM Cn1cnc(C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)c1 ZINC001608134261 1019088678 /nfs/dbraw/zinc/08/86/78/1019088678.db2.gz PDLXMTYHTAKXPC-DTWKUNHWSA-N -1 0 306.322 -0.481 20 0 DBADRM Cn1cnc(/C=C/C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC001608133731 1019088782 /nfs/dbraw/zinc/08/87/82/1019088782.db2.gz HQDCZGSYANWWSS-PBKGFPTLSA-N -1 0 313.335 -0.857 20 0 DBADRM Cn1ccc2cccc(S(=O)(=O)N3CC(O)(C(=O)[O-])C3)c21 ZINC001608128067 1019088935 /nfs/dbraw/zinc/08/89/35/1019088935.db2.gz HRIXSAXBOTXEBE-UHFFFAOYSA-N -1 0 310.331 -0.002 20 0 DBADRM Cn1cnnc1CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001608138499 1019089590 /nfs/dbraw/zinc/08/95/90/1019089590.db2.gz JOMHSFBCOLIIBA-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cn1cnn(CCC(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)c1=O ZINC001608137846 1019090701 /nfs/dbraw/zinc/09/07/01/1019090701.db2.gz WZDKVMOEDSULFL-GFCCVEGCSA-N -1 0 320.305 -0.380 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c1 ZINC001608135258 1019090721 /nfs/dbraw/zinc/09/07/21/1019090721.db2.gz KMEVDVYSRKQSKY-LLVKDONJSA-N -1 0 314.323 -0.586 20 0 DBADRM Cn1cnnc1CCNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001608138299 1019091144 /nfs/dbraw/zinc/09/11/44/1019091144.db2.gz FTEQJAPOLLMKAL-UHFFFAOYSA-N -1 0 305.294 -0.966 20 0 DBADRM Cn1cnnc1[C@@H](CO)NC(=O)c1ccsc1CC(=O)[O-] ZINC001608137697 1019091384 /nfs/dbraw/zinc/09/13/84/1019091384.db2.gz TXNCYYVLLOUKPM-MRVPVSSYSA-N -1 0 310.335 -0.033 20 0 DBADRM Cn1cncc1C(=O)NCC1(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCC1 ZINC001608136503 1019091611 /nfs/dbraw/zinc/09/16/11/1019091611.db2.gz PCJNCHBCUJKWIX-ZJUUUORDSA-N -1 0 320.349 -0.091 20 0 DBADRM Cn1cnnc1S(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001608140142 1019092157 /nfs/dbraw/zinc/09/21/57/1019092157.db2.gz OGZVBLHAHVMFCQ-SNVBAGLBSA-N -1 0 304.328 -0.883 20 0 DBADRM Cn1nc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cc1C=O ZINC001608139239 1019092247 /nfs/dbraw/zinc/09/22/47/1019092247.db2.gz DSVJYZNODDYOIC-JTQLQIEISA-N -1 0 308.294 -0.962 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001608147423 1019092468 /nfs/dbraw/zinc/09/24/68/1019092468.db2.gz QRDWNJUPRWOHPY-UHFFFAOYSA-N -1 0 308.338 -0.423 20 0 DBADRM Cn1cnnc1COCC(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC001608139926 1019092678 /nfs/dbraw/zinc/09/26/78/1019092678.db2.gz YSSCQSZHYYGOKJ-ZDUSSCGKSA-N -1 0 320.305 -0.021 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N(CCS(C)(=O)=O)C1CC1 ZINC001608141975 1019092716 /nfs/dbraw/zinc/09/27/16/1019092716.db2.gz BLQXHLGJJOKZKY-UHFFFAOYSA-N -1 0 315.351 -0.233 20 0 DBADRM Cn1cnnc1CN1CCC2(CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)C1 ZINC001608139433 1019092724 /nfs/dbraw/zinc/09/27/24/1019092724.db2.gz SJDKCSWIMVZRKV-MNOVXSKESA-N -1 0 319.365 -0.430 20 0 DBADRM Cn1cnnc1CN1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608139814 1019092767 /nfs/dbraw/zinc/09/27/67/1019092767.db2.gz VJAQGGGYPYOPEH-MNOVXSKESA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1nc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])cc1C(F)F ZINC001608142120 1019092811 /nfs/dbraw/zinc/09/28/11/1019092811.db2.gz DDLQHCSBFDXGMR-SSDOTTSWSA-N -1 0 314.252 -0.168 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001608147288 1019092983 /nfs/dbraw/zinc/09/29/83/1019092983.db2.gz MTSOKZHRXRWPAR-BXKDBHETSA-N -1 0 308.338 -0.159 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)NC[C@@H](CO)[C@H]1CCOC1 ZINC001608143617 1019093037 /nfs/dbraw/zinc/09/30/37/1019093037.db2.gz HXTGEJOHFXGSBB-IUCAKERBSA-N -1 0 312.326 -0.115 20 0 DBADRM Cn1nc2c(c1S(=O)(=O)N[C@H](CO)C(=O)[O-])CCCC2 ZINC001608153833 1019093592 /nfs/dbraw/zinc/09/35/92/1019093592.db2.gz VBGDIGOUEXZZFG-SECBINFHSA-N -1 0 303.340 -0.977 20 0 DBADRM Cn1ncc(CN2CCC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001608157330 1019093724 /nfs/dbraw/zinc/09/37/24/1019093724.db2.gz AIJKHLVZVAAJOQ-QWHCGFSZSA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1ncc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)c1-n1cnnc1 ZINC001608153324 1019094240 /nfs/dbraw/zinc/09/42/40/1019094240.db2.gz GYBYIYPBDMZYMU-JTQLQIEISA-N -1 0 304.310 -0.016 20 0 DBADRM Cn1ncc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])c1C(F)F ZINC001608153377 1019095146 /nfs/dbraw/zinc/09/51/46/1019095146.db2.gz KPQDVRFMEIGNDT-ZETCQYMHSA-N -1 0 314.252 -0.168 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CC[C@]2(CCOC2)C1 ZINC001608155762 1019095448 /nfs/dbraw/zinc/09/54/48/1019095448.db2.gz VFWVUVXGXMDTDP-AWEZNQCLSA-N -1 0 322.321 -0.304 20 0 DBADRM Cn1nc2c(cc1=O)CN(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)CC2 ZINC001608152858 1019095649 /nfs/dbraw/zinc/09/56/49/1019095649.db2.gz AGUVLLYQNGLHBU-CZMCAQCFSA-N -1 0 306.322 -0.289 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(C(=O)[O-])n3)C2)n1 ZINC001608155501 1019095872 /nfs/dbraw/zinc/09/58/72/1019095872.db2.gz JRYTYVRSAIDJGS-OCAPTIKFSA-N -1 0 317.309 -0.902 20 0 DBADRM Cn1nccc1CCN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001608165047 1019096468 /nfs/dbraw/zinc/09/64/68/1019096468.db2.gz GYVOFFGGLHOTBI-OLZOCXBDSA-N -1 0 306.366 -0.173 20 0 DBADRM Cn1nccc1[C@H](CO)NS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001608162599 1019097100 /nfs/dbraw/zinc/09/71/00/1019097100.db2.gz MLDOIPUNBMYOLY-QMMMGPOBSA-N -1 0 305.356 -0.516 20 0 DBADRM Cn1ncc2c1nc(CCC(=O)NC1(C(=O)[O-])CC1)[nH]c2=O ZINC001608159604 1019097235 /nfs/dbraw/zinc/09/72/35/1019097235.db2.gz RXCSYJYUKFDOMR-UHFFFAOYSA-N -1 0 305.294 -0.265 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CC1SC(=N)NC1=O)C(=O)[O-] ZINC001608162344 1019097508 /nfs/dbraw/zinc/09/75/08/1019097508.db2.gz ISWFXMBWZSVGRW-SVRRBLITSA-N -1 0 311.323 -0.782 20 0 DBADRM Cn1ncc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001608158334 1019097575 /nfs/dbraw/zinc/09/75/75/1019097575.db2.gz ZZZVVGQEGKVBOR-XQHKEYJVSA-N -1 0 319.365 -0.289 20 0 DBADRM Cn1nccc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608161990 1019098130 /nfs/dbraw/zinc/09/81/30/1019098130.db2.gz AYWBWKHKIJVNPT-ZJUUUORDSA-N -1 0 306.322 -0.671 20 0 DBADRM Cn1ncc2c1nc(CN1C[C@@H](O)C[C@H](C(=O)[O-])C1)[nH]c2=O ZINC001608158643 1019098155 /nfs/dbraw/zinc/09/81/55/1019098155.db2.gz AESYXTBDIJLARE-YUMQZZPRSA-N -1 0 307.310 -0.664 20 0 DBADRM Cn1nncc1CN1CC=C(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608168009 1019099277 /nfs/dbraw/zinc/09/92/77/1019099277.db2.gz NIYSVUWKJTUOIE-QWHCGFSZSA-N -1 0 319.365 -0.216 20 0 DBADRM Cn1nnc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001608167047 1019099318 /nfs/dbraw/zinc/09/93/18/1019099318.db2.gz FQWBGVATJMKRNX-DBIOUOCHSA-N -1 0 322.369 -0.552 20 0 DBADRM Cn1nccc1S(=O)(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001608166311 1019100048 /nfs/dbraw/zinc/10/00/48/1019100048.db2.gz DBDHETPVBIAKLX-BDAKNGLRSA-N -1 0 303.340 -0.564 20 0 DBADRM Cn1nncc1C(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001608167291 1019100213 /nfs/dbraw/zinc/10/02/13/1019100213.db2.gz BQIYXKPXKZTJST-DTORHVGOSA-N -1 0 317.309 -0.324 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1CCSC[C@@H]1C(=O)[O-])CC2 ZINC001608166948 1019101110 /nfs/dbraw/zinc/10/11/10/1019101110.db2.gz CTQPLXYHQBXQSN-GZMMTYOYSA-N -1 0 310.379 -0.051 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)OCCn1cc(C(=O)[O-])nn1)CC2 ZINC001608167094 1019101771 /nfs/dbraw/zinc/10/17/71/1019101771.db2.gz GWBNSRPJLBBFCW-MRVPVSSYSA-N -1 0 320.309 -0.547 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1CCC(O)(C(=O)[O-])CC1)CC2 ZINC001608166825 1019102130 /nfs/dbraw/zinc/10/21/30/1019102130.db2.gz AOGQLNALUIHBNK-VIFPVBQESA-N -1 0 308.338 -0.642 20 0 DBADRM Cn1nncc1NC(=O)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001608169395 1019103896 /nfs/dbraw/zinc/10/38/96/1019103896.db2.gz SKVVVVXPMZUZAI-SNVBAGLBSA-N -1 0 317.305 -0.262 20 0 DBADRM Cn1nncc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001608168672 1019105004 /nfs/dbraw/zinc/10/50/04/1019105004.db2.gz XHAXYXBBANCXOM-RNWYCLNJSA-N -1 0 305.338 -0.918 20 0 DBADRM Cn1oc(C(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cc1=O ZINC001608169757 1019105802 /nfs/dbraw/zinc/10/58/02/1019105802.db2.gz LATYMHAEUKNIQX-SFYZADRCSA-N -1 0 323.305 -0.922 20 0 DBADRM Cn1nncc1NC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001608169021 1019105875 /nfs/dbraw/zinc/10/58/75/1019105875.db2.gz CQEGIZNRPRXSKT-MRVPVSSYSA-N -1 0 320.313 -0.026 20 0 DBADRM NC(=O)C(=O)N[C@@H](CNc1ccnc(C(=O)[O-])n1)C1CCCC1 ZINC001608227244 1019115531 /nfs/dbraw/zinc/11/55/31/1019115531.db2.gz LYOJVRPRJHGRPH-VIFPVBQESA-N -1 0 321.337 -0.831 20 0 DBADRM NC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001608227686 1019116003 /nfs/dbraw/zinc/11/60/03/1019116003.db2.gz ZBOMQNTVUBHSPD-GFCCVEGCSA-N -1 0 316.317 -0.206 20 0 DBADRM NC(=O)C1CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC001608230328 1019118894 /nfs/dbraw/zinc/11/88/94/1019118894.db2.gz FOFRXAHBOASUTR-UHFFFAOYSA-N -1 0 313.335 -0.334 20 0 DBADRM NC(=O)CC(=O)NC[C@H]1CCCCN1c1ncc(C(=O)[O-])cn1 ZINC001608229473 1019118927 /nfs/dbraw/zinc/11/89/27/1019118927.db2.gz KYIFIKJKDMQICG-SNVBAGLBSA-N -1 0 321.337 -0.475 20 0 DBADRM NC(=O)CC(=O)NC1(CNc2ccnc(C(=O)[O-])n2)CCCC1 ZINC001608229613 1019119142 /nfs/dbraw/zinc/11/91/42/1019119142.db2.gz MELAKBSWAIWKFB-UHFFFAOYSA-N -1 0 321.337 -0.687 20 0 DBADRM NC(=O)CC(=O)N[C@H]1CCC[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001608230801 1019119283 /nfs/dbraw/zinc/11/92/83/1019119283.db2.gz ZVYYHRYGJXFGDS-SCZZXKLOSA-N -1 0 321.337 -0.253 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)NCc2ccccc2CC(=O)[O-])CCO1 ZINC001608230368 1019119341 /nfs/dbraw/zinc/11/93/41/1019119341.db2.gz WHWVDDXTFPTHFS-GFCCVEGCSA-N -1 0 321.333 -0.291 20 0 DBADRM NC(=O)[C@@H]1CN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CCO1 ZINC001608229637 1019119608 /nfs/dbraw/zinc/11/96/08/1019119608.db2.gz MYKUNFKTZJRULX-UTLUCORTSA-N -1 0 320.367 -0.854 20 0 DBADRM NC(=O)C12CCC(CC1)N2C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001608229566 1019119948 /nfs/dbraw/zinc/11/99/48/1019119948.db2.gz LSKWLPPQESODSY-UHFFFAOYSA-N -1 0 307.310 -0.018 20 0 DBADRM NC(=O)[C@@H]1CN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CCO1 ZINC001608229634 1019120291 /nfs/dbraw/zinc/12/02/91/1019120291.db2.gz MYKUNFKTZJRULX-GUBZILKMSA-N -1 0 320.367 -0.854 20 0 DBADRM NC(=O)[C@H]1CCCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001608230885 1019120428 /nfs/dbraw/zinc/12/04/28/1019120428.db2.gz HXMKRAUMYJXKID-VIFPVBQESA-N -1 0 304.368 -0.232 20 0 DBADRM NC(=O)C[C@@H]1COCCN1C(=O)CCc1ocnc1C(=O)[O-] ZINC001608232441 1019121108 /nfs/dbraw/zinc/12/11/08/1019121108.db2.gz SEQWHACSXLJAQW-MRVPVSSYSA-N -1 0 311.294 -0.592 20 0 DBADRM NC(=O)CC1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1 ZINC001608231208 1019121910 /nfs/dbraw/zinc/12/19/10/1019121910.db2.gz BRLSHLCIORLQAI-UHFFFAOYSA-N -1 0 316.339 -0.616 20 0 DBADRM NC(=O)CN1CCC(NC(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC001608234641 1019122208 /nfs/dbraw/zinc/12/22/08/1019122208.db2.gz HITNXFLEOJOJDN-UHFFFAOYSA-N -1 0 306.322 -0.541 20 0 DBADRM NC(=O)[C@H]1CC[C@H]1C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001608231767 1019122334 /nfs/dbraw/zinc/12/23/34/1019122334.db2.gz HSLAPLMWJYJKQZ-WDEREUQCSA-N -1 0 319.317 -0.049 20 0 DBADRM NC(=O)CN1CCC[C@H](NC(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001608234436 1019122449 /nfs/dbraw/zinc/12/24/49/1019122449.db2.gz GBDYXAVIVKGSCM-LBPRGKRZSA-N -1 0 319.361 -0.007 20 0 DBADRM NC(=O)[C@H]1CC[C@H]1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001608233244 1019122566 /nfs/dbraw/zinc/12/25/66/1019122566.db2.gz XVBSOXFRULDABJ-DTWKUNHWSA-N -1 0 309.322 -0.280 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2occc2C(=O)[O-])O1 ZINC001608231376 1019122614 /nfs/dbraw/zinc/12/26/14/1019122614.db2.gz GLQCTFYRCMHYJM-HTRCEHHLSA-N -1 0 318.307 -0.711 20 0 DBADRM NC(=O)CCNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001608233976 1019122862 /nfs/dbraw/zinc/12/28/62/1019122862.db2.gz IODVYXLWVAMGOJ-UHFFFAOYSA-N -1 0 309.278 -0.920 20 0 DBADRM NC(=O)C[C@@H]1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1 ZINC001608231934 1019122925 /nfs/dbraw/zinc/12/29/25/1019122925.db2.gz WWEQUKBKQRSEGT-VHSXEESVSA-N -1 0 311.338 -0.967 20 0 DBADRM NC(=O)CN1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])cc2C1 ZINC001608235074 1019123156 /nfs/dbraw/zinc/12/31/56/1019123156.db2.gz SNCJWYKCPWFKPP-CHWSQXEVSA-N -1 0 317.345 -0.176 20 0 DBADRM NC(=O)N[C@H](CC(=O)N1CC[C@](O)(C(=O)[O-])C1)c1ccccc1 ZINC001608237653 1019125689 /nfs/dbraw/zinc/12/56/89/1019125689.db2.gz CAELSQADTRUGTL-IAQYHMDHSA-N -1 0 321.333 -0.166 20 0 DBADRM NC(=O)N1CC[C@@H](NC(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001608237203 1019126136 /nfs/dbraw/zinc/12/61/36/1019126136.db2.gz TYMWRQAEERUCJU-SSDOTTSWSA-N -1 0 312.282 -0.841 20 0 DBADRM NC(=O)N[C@@H](CC(=O)NC[C@H](O)CC(=O)[O-])c1ccccc1 ZINC001608237886 1019126538 /nfs/dbraw/zinc/12/65/38/1019126538.db2.gz IHAYTPVNMIMKGC-MNOVXSKESA-N -1 0 309.322 -0.262 20 0 DBADRM NC(=O)N1CCCN(C(=O)CCc2ocnc2C(=O)[O-])CC1 ZINC001608236690 1019126729 /nfs/dbraw/zinc/12/67/29/1019126729.db2.gz FHGNZMCZTVBQPS-UHFFFAOYSA-N -1 0 310.310 -0.082 20 0 DBADRM NC(=O)Cn1cc(NC(=O)N[C@@H](CC(=O)[O-])C2CC2)ccc1=O ZINC001608236857 1019126779 /nfs/dbraw/zinc/12/67/79/1019126779.db2.gz JRXWAIJDRZTJGB-JTQLQIEISA-N -1 0 322.321 -0.292 20 0 DBADRM NC(=O)N1CC[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001608236929 1019127354 /nfs/dbraw/zinc/12/73/54/1019127354.db2.gz MGJQAKMOPAKHHC-SSDOTTSWSA-N -1 0 317.323 -0.343 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])O1 ZINC001608239355 1019128783 /nfs/dbraw/zinc/12/87/83/1019128783.db2.gz CMIZGDQCWSMOMQ-WDCWCFNPSA-N -1 0 314.338 -0.764 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccsc2C(=O)[O-])C1 ZINC001608240509 1019130077 /nfs/dbraw/zinc/13/00/77/1019130077.db2.gz SWAFWIQFUYATRQ-OLQVQODUSA-N -1 0 311.319 -0.235 20 0 DBADRM NC(=O)c1cc(NC(=O)NCC(=O)NCC(=O)[O-])ccc1F ZINC001608239473 1019130484 /nfs/dbraw/zinc/13/04/84/1019130484.db2.gz NXTPQXVAFBVVRL-UHFFFAOYSA-N -1 0 312.257 -0.753 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001608240328 1019131305 /nfs/dbraw/zinc/13/13/05/1019131305.db2.gz FJHNIGCGXNZLGZ-SYDPRGILSA-N -1 0 305.337 -0.617 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1 ZINC001608241540 1019131326 /nfs/dbraw/zinc/13/13/26/1019131326.db2.gz ZLCWJMWGRQZXCD-UHFFFAOYSA-N -1 0 304.266 -0.900 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])s1 ZINC001608243735 1019132728 /nfs/dbraw/zinc/13/27/28/1019132728.db2.gz ZRTQPWUVWHUXPT-LURJTMIESA-N -1 0 314.319 -0.207 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])s1 ZINC001608243737 1019134112 /nfs/dbraw/zinc/13/41/12/1019134112.db2.gz ZRTQPWUVWHUXPT-ZCFIWIBFSA-N -1 0 314.319 -0.207 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC001608244715 1019134236 /nfs/dbraw/zinc/13/42/36/1019134236.db2.gz ALUWVYGPNBCQGW-IONNQARKSA-N -1 0 317.305 -0.189 20 0 DBADRM NC(=O)c1cnc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)s1 ZINC001608247194 1019134352 /nfs/dbraw/zinc/13/43/52/1019134352.db2.gz XYKLWNRDWZPEMW-LURJTMIESA-N -1 0 314.323 -0.051 20 0 DBADRM NC(=O)c1ccc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)c(F)c1 ZINC001608244501 1019134894 /nfs/dbraw/zinc/13/48/94/1019134894.db2.gz GCVQOVWIHWAOFI-ZDUSSCGKSA-N -1 0 311.269 -0.022 20 0 DBADRM NCC(F)(F)CNC(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001608252983 1019137406 /nfs/dbraw/zinc/13/74/06/1019137406.db2.gz RVBUXDXWDTYLLD-MRVPVSSYSA-N -1 0 307.297 -0.686 20 0 DBADRM NC(=O)c1ncn(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC001608247351 1019137981 /nfs/dbraw/zinc/13/79/81/1019137981.db2.gz DMEXZILPADTWRW-JTQLQIEISA-N -1 0 317.305 -0.811 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])[nH]2)C1 ZINC001608259324 1019139430 /nfs/dbraw/zinc/13/94/30/1019139430.db2.gz IOGCHZWMSLNYNS-MRVPVSSYSA-N -1 0 315.351 -0.146 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC001608259354 1019139686 /nfs/dbraw/zinc/13/96/86/1019139686.db2.gz JMWPXMJTJJOOSZ-ZETCQYMHSA-N -1 0 305.381 -0.048 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001608260839 1019139923 /nfs/dbraw/zinc/13/99/23/1019139923.db2.gz ZMRNUYMVBZWJSV-LBPRGKRZSA-N -1 0 322.383 -0.415 20 0 DBADRM NS(=O)(=O)CCCC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001608259736 1019140060 /nfs/dbraw/zinc/14/00/60/1019140060.db2.gz QXSHUUWAZBHWDS-UHFFFAOYSA-N -1 0 314.363 -0.001 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)c2cc(C(=O)[O-])ccn2)CCC1 ZINC001608258819 1019141549 /nfs/dbraw/zinc/14/15/49/1019141549.db2.gz QRQYFZLSJZKMSJ-UHFFFAOYSA-N -1 0 313.335 -0.279 20 0 DBADRM NS(=O)(=O)c1ccc2[nH]c(N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)nc2c1 ZINC001608264101 1019142848 /nfs/dbraw/zinc/14/28/48/1019142848.db2.gz AYGKTHSRZIYDRF-VROVMSAKSA-N -1 0 322.346 -0.023 20 0 DBADRM NS(=O)(=O)c1cc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])ccc1F ZINC001608262047 1019143002 /nfs/dbraw/zinc/14/30/02/1019143002.db2.gz JSYVOABWGYMCAY-JGVFFNPUSA-N -1 0 316.310 -0.190 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)O[C@@H](C(=O)[O-])C2CC2)ccn1 ZINC001608261694 1019143560 /nfs/dbraw/zinc/14/35/60/1019143560.db2.gz BHXKKXLCEKGDIC-SECBINFHSA-N -1 0 300.292 -0.251 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NC2CC(CC(=O)[O-])C2)co1 ZINC001608262049 1019144035 /nfs/dbraw/zinc/14/40/35/1019144035.db2.gz JWLIRTYWOLAKBQ-UHFFFAOYSA-N -1 0 302.308 -0.090 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@H](O)C[C@H](C(=O)[O-])C2)s1 ZINC001608262837 1019144243 /nfs/dbraw/zinc/14/42/43/1019144243.db2.gz DXUMCWNIGFNMQW-JGVFFNPUSA-N -1 0 320.392 -0.337 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)O[C@@H](C(=O)[O-])C2CC2)C1 ZINC001608261071 1019144331 /nfs/dbraw/zinc/14/43/31/1019144331.db2.gz KLHOEJVFRZAPPR-RKDXNWHRSA-N -1 0 306.340 -0.692 20 0 DBADRM NS(=O)(=O)NC1CN(c2ncc(C(=O)[O-])cc2Cl)C1 ZINC001608260863 1019144819 /nfs/dbraw/zinc/14/48/19/1019144819.db2.gz AGXBCJBVIJQUOD-UHFFFAOYSA-N -1 0 306.731 -0.585 20 0 DBADRM NS(=O)(=O)c1cc(COC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)co1 ZINC001608262232 1019144863 /nfs/dbraw/zinc/14/48/63/1019144863.db2.gz UCNOYKGCSYHSEU-JGVFFNPUSA-N -1 0 319.291 -0.398 20 0 DBADRM NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](CF)C(=O)[O-])cc1 ZINC001608262581 1019145160 /nfs/dbraw/zinc/14/51/60/1019145160.db2.gz HUQIVWQBEBDPQS-VIFPVBQESA-N -1 0 320.298 -0.748 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])o1 ZINC001608261459 1019145305 /nfs/dbraw/zinc/14/53/05/1019145305.db2.gz LTRHPHRJEKMQSB-SSDOTTSWSA-N -1 0 318.307 -0.757 20 0 DBADRM Nc1nc(C2CC2)ncc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001608275900 1019147888 /nfs/dbraw/zinc/14/78/88/1019147888.db2.gz RFYHIMSHJRJLJE-BDAKNGLRSA-N -1 0 306.322 -0.156 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N2CCC[C@H](CCF)C2)C1 ZINC001608277109 1019147996 /nfs/dbraw/zinc/14/79/96/1019147996.db2.gz AJMXWMUEBQHXOV-SECBINFHSA-N -1 0 302.302 -0.758 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CC2(Cn3cnnn3)CCCCC2)C1 ZINC001608291334 1019151359 /nfs/dbraw/zinc/15/13/59/1019151359.db2.gz LXTJAIJVLCPLTC-UHFFFAOYSA-N -1 0 323.353 -0.328 20 0 DBADRM O=C(/C=C\[C@H]1CCCO1)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001608282697 1019152023 /nfs/dbraw/zinc/15/20/23/1019152023.db2.gz ZFNQLNYNHVQFTC-UMBAGQNISA-N -1 0 317.363 -0.130 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC001608294390 1019152262 /nfs/dbraw/zinc/15/22/62/1019152262.db2.gz RQXWPUVBUXQMIC-QWRGUYRKSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)/C=C\C1CC1 ZINC001608283194 1019152370 /nfs/dbraw/zinc/15/23/70/1019152370.db2.gz OYUWFSQMMQHMMK-OPVGQWETSA-N -1 0 310.350 -0.390 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H](O)CNC(=O)C=C2CCC2)n1 ZINC001608283164 1019152744 /nfs/dbraw/zinc/15/27/44/1019152744.db2.gz ODWQYFVNTISVFM-SNVBAGLBSA-N -1 0 306.322 -0.404 20 0 DBADRM O=C(C=Cc1cc(C(=O)[O-])co1)NCCN1C(=O)CNC1=O ZINC001608285408 1019152972 /nfs/dbraw/zinc/15/29/72/1019152972.db2.gz LRHPTDCQPMUNKE-UPHRSURJSA-N -1 0 307.262 -0.341 20 0 DBADRM O=C(C=Cc1cc(C(=O)[O-])co1)NCCN1C(=O)CNC1=O ZINC001608285405 1019153162 /nfs/dbraw/zinc/15/31/62/1019153162.db2.gz LRHPTDCQPMUNKE-OWOJBTEDSA-N -1 0 307.262 -0.341 20 0 DBADRM O=C(CCN1CCOC1=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001608309102 1019154599 /nfs/dbraw/zinc/15/45/99/1019154599.db2.gz HZJCMNMRHBKUIP-ZJUUUORDSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])C1(NC(=O)C[C@H]2CCS(=O)(=O)C2)CC(CO)C1 ZINC001608297821 1019155041 /nfs/dbraw/zinc/15/50/41/1019155041.db2.gz VYBYPWCYMRWETN-YDNLMGDJSA-N -1 0 305.352 -0.847 20 0 DBADRM O=C(CC[C@H]1NC(=O)NC1=O)NC1(C(=O)[O-])CCSCC1 ZINC001608303988 1019155611 /nfs/dbraw/zinc/15/56/11/1019155611.db2.gz XYOOTPWISWUHCE-SSDOTTSWSA-N -1 0 315.351 -0.559 20 0 DBADRM O=C(CCN1CCCC1=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001608308529 1019156652 /nfs/dbraw/zinc/15/66/52/1019156652.db2.gz VTYUSOPHMJWFDM-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)CCc2cn[nH]n2)CC1 ZINC001608317389 1019158275 /nfs/dbraw/zinc/15/82/75/1019158275.db2.gz WWOMKTTVRYRCHI-UWVGGRQHSA-N -1 0 321.337 -0.777 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)N[C@H]1CCc2nnnn2CC1 ZINC001608321669 1019158451 /nfs/dbraw/zinc/15/84/51/1019158451.db2.gz GGSUYXIBVJPAJA-QMMMGPOBSA-N -1 0 320.309 -0.187 20 0 DBADRM COC(=O)c1cn(C)nc1NC(=O)c1c[n-]n2c1nccc2=O ZINC001608319739 1019159580 /nfs/dbraw/zinc/15/95/80/1019159580.db2.gz SZJSTCSAJUJZDK-UHFFFAOYSA-N -1 0 316.277 -0.205 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)CCNC(=O)c1ccc(F)cc1 ZINC001608311130 1019159886 /nfs/dbraw/zinc/15/98/86/1019159886.db2.gz XLTOMNUCLHRQAH-NSHDSACASA-N -1 0 312.297 -0.103 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC001608329934 1019161128 /nfs/dbraw/zinc/16/11/28/1019161128.db2.gz JQLOQXYSYMCLEQ-SRVKXCTJSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C(CN1CCCCS1(=O)=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001608330941 1019161548 /nfs/dbraw/zinc/16/15/48/1019161548.db2.gz IIFMJMQNHSMZRP-NRUUGDAUSA-N -1 0 316.379 -0.219 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(CC(=O)Nc2ccon2)CC1 ZINC001608330180 1019161705 /nfs/dbraw/zinc/16/17/05/1019161705.db2.gz GGOYAMMBVWLIRO-NXEZZACHSA-N -1 0 322.321 -0.522 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H](CO)c2cccnc2)C1=O ZINC001608331217 1019161934 /nfs/dbraw/zinc/16/19/34/1019161934.db2.gz RUZGPHFFIYXYKH-NWDGAFQWSA-N -1 0 321.333 -0.446 20 0 DBADRM O=C([O-])[C@]1(O)CCN(CC(=O)NCC(=O)c2ccccc2)C1 ZINC001608327432 1019162387 /nfs/dbraw/zinc/16/23/87/1019162387.db2.gz PFWSDQRKWKLJCU-HNNXBMFYSA-N -1 0 306.318 -0.493 20 0 DBADRM O=C([O-])[C@H](CCF)NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001608327859 1019162627 /nfs/dbraw/zinc/16/26/27/1019162627.db2.gz MMHCOBBEUZXLTG-AEJSXWLSSA-N -1 0 312.297 -0.133 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCCC2(CC2)S1(=O)=O)C1CC1 ZINC001608330272 1019162635 /nfs/dbraw/zinc/16/26/35/1019162635.db2.gz DCYITIRWIGSEIZ-LLVKDONJSA-N -1 0 316.379 -0.076 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC001608326613 1019162710 /nfs/dbraw/zinc/16/27/10/1019162710.db2.gz WCIQNOVLRSHCKY-UHFFFAOYSA-N -1 0 321.293 -0.089 20 0 DBADRM O=C([O-])[C@@H]1CC(F)(F)CN1CC(=O)NCC(=O)N1CCCC1 ZINC001608328472 1019162734 /nfs/dbraw/zinc/16/27/34/1019162734.db2.gz WPWJLYORLYYLAV-VIFPVBQESA-N -1 0 319.308 -0.481 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1O)NC(=O)CN1CCOCC1 ZINC001608333285 1019163977 /nfs/dbraw/zinc/16/39/77/1019163977.db2.gz APEGQYXZBGXZEI-GFCCVEGCSA-N -1 0 308.334 -0.164 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CNC(=O)C1CC1)Cc1ccncc1 ZINC001608337312 1019164032 /nfs/dbraw/zinc/16/40/32/1019164032.db2.gz COWSNHFPKXCVTO-LBPRGKRZSA-N -1 0 305.334 -0.033 20 0 DBADRM O=C(CN1CCNCC1=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001608333838 1019164332 /nfs/dbraw/zinc/16/43/32/1019164332.db2.gz QTZLYZWDCLSCGZ-LBPRGKRZSA-N -1 0 311.382 -0.185 20 0 DBADRM O=C([O-])c1cc2c(cc1NC(=O)CN1CCOCC1=O)OCO2 ZINC001608336633 1019164411 /nfs/dbraw/zinc/16/44/11/1019164411.db2.gz YKBTVTLIKMKXAU-UHFFFAOYSA-N -1 0 322.273 -0.089 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NC[C@@]1(O)CCOC1 ZINC001608348328 1019165498 /nfs/dbraw/zinc/16/54/98/1019165498.db2.gz LNLMHNJRWTUADG-LBPRGKRZSA-N -1 0 300.267 -0.843 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N[C@@H]1Cc2cncn2C1 ZINC001608348475 1019165633 /nfs/dbraw/zinc/16/56/33/1019165633.db2.gz RGJUFOHGUGBHBW-MRVPVSSYSA-N -1 0 306.278 -0.173 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(NC(=O)COCC(F)F)CC1 ZINC001608347961 1019165734 /nfs/dbraw/zinc/16/57/34/1019165734.db2.gz UMQLZQWEZSYPBT-YUMQZZPRSA-N -1 0 320.292 -0.246 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCC(=O)N2CCCC2)CCC1 ZINC001608342392 1019165793 /nfs/dbraw/zinc/16/57/93/1019165793.db2.gz QGAOCPFZHSJMFT-UHFFFAOYSA-N -1 0 304.368 -0.217 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN(C(=O)CO)CC2)CC2(CCC2)C1 ZINC001608342920 1019165894 /nfs/dbraw/zinc/16/58/94/1019165894.db2.gz LHOZRQJTWZSAEG-UHFFFAOYSA-N -1 0 310.350 -0.315 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NCc1nnnn1C1CC1 ZINC001608349332 1019165912 /nfs/dbraw/zinc/16/59/12/1019165912.db2.gz GGMQSTKATSHGMU-UHFFFAOYSA-N -1 0 322.281 -0.473 20 0 DBADRM O=C([O-])c1ccoc1C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC001608346834 1019166294 /nfs/dbraw/zinc/16/62/94/1019166294.db2.gz IBYVXKCXUVFXEM-UHFFFAOYSA-N -1 0 324.289 -0.127 20 0 DBADRM O=C([O-])c1cnc(NCCCNC(=O)CO[C@@H]2CCOC2)nc1 ZINC001608346876 1019166430 /nfs/dbraw/zinc/16/64/30/1019166430.db2.gz IDJBATNVSGAVPI-LLVKDONJSA-N -1 0 324.337 -0.102 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC(=O)NC2CCCC2)n[nH]1 ZINC001608342347 1019166606 /nfs/dbraw/zinc/16/66/06/1019166606.db2.gz OYSNWEJJVRYJEO-UHFFFAOYSA-N -1 0 316.339 -0.555 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CNC(=O)c1cccc(O)c1 ZINC001608339023 1019167445 /nfs/dbraw/zinc/16/74/45/1019167445.db2.gz YVVUZCVJXZPBPE-CMPLNLGQSA-N -1 0 308.290 -0.520 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NC[C@H](O)Cn2ccnn2)cn1 ZINC001608361869 1019168860 /nfs/dbraw/zinc/16/88/60/1019168860.db2.gz HEBBVOKJNFJEOO-JTQLQIEISA-N -1 0 305.294 -0.909 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(NC(=O)Cc2cc[nH]n2)CC1 ZINC001608369259 1019168913 /nfs/dbraw/zinc/16/89/13/1019168913.db2.gz IMCQDRLCHKPWNL-UWVGGRQHSA-N -1 0 306.322 -0.562 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)CCNC(=O)Cc1ccccc1 ZINC001608366266 1019170209 /nfs/dbraw/zinc/17/02/09/1019170209.db2.gz GUWMEKJJDLQFSG-CHWSQXEVSA-N -1 0 320.345 -0.218 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001608356135 1019170979 /nfs/dbraw/zinc/17/09/79/1019170979.db2.gz HEUWMQHXPABTAE-BQBZGAKWSA-N -1 0 321.293 -0.870 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)Cc1nc2ncccn2n1 ZINC001608371898 1019172532 /nfs/dbraw/zinc/17/25/32/1019172532.db2.gz XVKKTHPNPPUTTD-SECBINFHSA-N -1 0 315.293 -0.798 20 0 DBADRM O=C(Cc1csc(-c2nc[nH]n2)n1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001608370485 1019173054 /nfs/dbraw/zinc/17/30/54/1019173054.db2.gz FNRUJKKNEAHIQI-OGXFKERWSA-N -1 0 323.334 -0.435 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCCN2C(=O)CSC2=O)n1 ZINC001608378270 1019175178 /nfs/dbraw/zinc/17/51/78/1019175178.db2.gz WMUPQNRWGBFCNQ-UHFFFAOYSA-N -1 0 312.307 -0.607 20 0 DBADRM O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001608376972 1019175212 /nfs/dbraw/zinc/17/52/12/1019175212.db2.gz KEXYCFZVWUUEQM-RKDXNWHRSA-N -1 0 311.294 -0.913 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)Cn2ncc(=O)c3ccccc32)C1 ZINC001608383068 1019176230 /nfs/dbraw/zinc/17/62/30/1019176230.db2.gz UGCYUPRDOBEMRM-OAHLLOKOSA-N -1 0 317.301 -0.556 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)Cn2nccn2)CCC1 ZINC001608381445 1019176598 /nfs/dbraw/zinc/17/65/98/1019176598.db2.gz LDGRRICYWMZVJH-NXEZZACHSA-N -1 0 321.337 -0.846 20 0 DBADRM O=C([O-])C12CCC(CC1)N2C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001608382681 1019176658 /nfs/dbraw/zinc/17/66/58/1019176658.db2.gz IFJRXRMSYVVAFV-UHFFFAOYSA-N -1 0 320.349 -0.011 20 0 DBADRM O=C([O-])C1(NC(=O)Cn2nc(CO)ccc2=O)CCCCC1 ZINC001608383069 1019176720 /nfs/dbraw/zinc/17/67/20/1019176720.db2.gz UHZFYVNXJWILJA-UHFFFAOYSA-N -1 0 309.322 -0.361 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001608404230 1019178635 /nfs/dbraw/zinc/17/86/35/1019178635.db2.gz XXUAPONHTNQJHE-JOYOIKCWSA-N -1 0 303.322 -0.019 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001608403327 1019178647 /nfs/dbraw/zinc/17/86/47/1019178647.db2.gz OSPOFQVHVIEEOE-KCJUWKMLSA-N -1 0 304.310 -0.624 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001608404323 1019179138 /nfs/dbraw/zinc/17/91/38/1019179138.db2.gz ZBFLVRWEIIHDKL-JTQLQIEISA-N -1 0 316.277 -0.257 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001608401733 1019179912 /nfs/dbraw/zinc/17/99/12/1019179912.db2.gz MWDDJASURXKQAG-SECBINFHSA-N -1 0 316.277 -0.257 20 0 DBADRM O=C([O-])C1(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CCC1 ZINC001608403877 1019180503 /nfs/dbraw/zinc/18/05/03/1019180503.db2.gz MSJMZGLVQFCUSI-NEPJUHHUSA-N -1 0 312.366 -0.010 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@H]2C(=O)NCC23CCOCC3)c[nH]1 ZINC001608408248 1019182132 /nfs/dbraw/zinc/18/21/32/1019182132.db2.gz RECZFPAIMQFVAU-JTQLQIEISA-N -1 0 307.306 -0.262 20 0 DBADRM O=C([O-])c1c(F)ccc(NC(=O)C(=O)NC[C@@H](O)CO)c1F ZINC001608425377 1019184689 /nfs/dbraw/zinc/18/46/89/1019184689.db2.gz XICCTOAYGUFZBC-RXMQYKEDSA-N -1 0 318.232 -0.929 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCOC1 ZINC001608427639 1019185136 /nfs/dbraw/zinc/18/51/36/1019185136.db2.gz AAGLRNNOIDAIJP-YMTOWFKASA-N -1 0 322.321 -0.630 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC001608456920 1019192752 /nfs/dbraw/zinc/19/27/52/1019192752.db2.gz FGLKLSUBLMMKLA-BQBZGAKWSA-N -1 0 302.224 -0.212 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[C@H](C2CC2)O1 ZINC001608431890 1019188139 /nfs/dbraw/zinc/18/81/39/1019188139.db2.gz HQZFTRJYZPUFLP-DDHJBXDOSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])c1cc(C(=O)NCC2(O)CCS(=O)(=O)CC2)no1 ZINC001608431051 1019188222 /nfs/dbraw/zinc/18/82/22/1019188222.db2.gz USZWEEAFLFOJPR-UHFFFAOYSA-N -1 0 318.307 -0.958 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@@H]2CC[C@H](O)C2)n1 ZINC001608433732 1019189269 /nfs/dbraw/zinc/18/92/69/1019189269.db2.gz BODPQXHASOVFAP-BDAKNGLRSA-N -1 0 307.306 -0.005 20 0 DBADRM O=C([O-])c1cnc(Cl)c(NC(=O)C(=O)NCCCO)c1 ZINC001608444274 1019190350 /nfs/dbraw/zinc/19/03/50/1019190350.db2.gz NKPXYMCZJYJFIW-UHFFFAOYSA-N -1 0 301.686 -0.130 20 0 DBADRM O=C(NCCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccco1 ZINC001608445662 1019190566 /nfs/dbraw/zinc/19/05/66/1019190566.db2.gz FEBGNYVPRNNESZ-DTORHVGOSA-N -1 0 316.335 -0.208 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCCNC(=O)c2cccnc2)cn1 ZINC001608445832 1019190763 /nfs/dbraw/zinc/19/07/63/1019190763.db2.gz KUYSIXALVBAPEZ-UHFFFAOYSA-N -1 0 315.289 -0.270 20 0 DBADRM O=C([O-])c1sccc1NC(=O)C(=O)NCCCOCCO ZINC001608444074 1019190888 /nfs/dbraw/zinc/19/08/88/1019190888.db2.gz IAVVQXMLZDTKOH-UHFFFAOYSA-N -1 0 316.335 -0.100 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@@H]2Cc3cncn3C2)nn1 ZINC001608456395 1019190965 /nfs/dbraw/zinc/19/09/65/1019190965.db2.gz UMWKPIFAAPWJPR-MRVPVSSYSA-N -1 0 305.298 -0.903 20 0 DBADRM O=C([O-])c1cccc(NC(=O)NCCn2ccc(=O)[nH]c2=O)n1 ZINC001608455834 1019191004 /nfs/dbraw/zinc/19/10/04/1019191004.db2.gz GQEIIAGQDGYSIT-UHFFFAOYSA-N -1 0 319.277 -0.136 20 0 DBADRM O=C([O-])c1nc(C(=O)NCCNC(=O)c2cnccn2)cs1 ZINC001608446049 1019191088 /nfs/dbraw/zinc/19/10/88/1019191088.db2.gz XRMIPRCEYUFKDZ-UHFFFAOYSA-N -1 0 321.318 -0.209 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCNC(=O)c2ccc(O)cc2)O1 ZINC001608445882 1019191216 /nfs/dbraw/zinc/19/12/16/1019191216.db2.gz NPHQQLKBCOVOJG-NEPJUHHUSA-N -1 0 322.317 -0.130 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(=O)NCCn1ccnc1)C2 ZINC001608455483 1019191275 /nfs/dbraw/zinc/19/12/75/1019191275.db2.gz WOFWGDSWDGJHOU-NHYWBVRUSA-N -1 0 320.349 -0.287 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1F ZINC001608458231 1019192089 /nfs/dbraw/zinc/19/20/89/1019192089.db2.gz CGSJXESGGMYIBO-LMLFDSFASA-N -1 0 316.329 -0.011 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC001608457631 1019192474 /nfs/dbraw/zinc/19/24/74/1019192474.db2.gz NSPFJPNBPMMQLZ-SSDLBLMSSA-N -1 0 316.207 -0.949 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC001608457246 1019193055 /nfs/dbraw/zinc/19/30/55/1019193055.db2.gz INTVSVSIAOQYEN-OUAUKWLOSA-N -1 0 316.329 -0.057 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)CC2CS(=O)(=O)C2)CC1 ZINC001608554241 1019205223 /nfs/dbraw/zinc/20/52/23/1019205223.db2.gz ONSXTBASOINLKN-LLVKDONJSA-N -1 0 305.352 -0.895 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001608461429 1019194161 /nfs/dbraw/zinc/19/41/61/1019194161.db2.gz ZHSVRLJHCTWWCY-KKFJDGPESA-N -1 0 313.310 -0.773 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NC1CN(c2ccncn2)C1 ZINC001608461155 1019194202 /nfs/dbraw/zinc/19/42/02/1019194202.db2.gz IWRSNCBKRLRCCT-BXKDBHETSA-N -1 0 321.337 -0.546 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)[C@H]2C[C@H]21 ZINC001608491274 1019195169 /nfs/dbraw/zinc/19/51/69/1019195169.db2.gz RFWBAKZGOVLMMR-HWUMTFDVSA-N -1 0 305.338 -0.149 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2ccncn2)C1 ZINC001608492050 1019196747 /nfs/dbraw/zinc/19/67/47/1019196747.db2.gz SELOLZLZSRMDAP-ZRUFSTJUSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N[C@@H]2CCc3ccccc32)C1 ZINC001608487871 1019197192 /nfs/dbraw/zinc/19/71/92/1019197192.db2.gz WQTXSDVMJFSCEL-LLVKDONJSA-N -1 0 304.302 -0.552 20 0 DBADRM O=C([O-])c1nccc(N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)n1 ZINC001608487843 1019197313 /nfs/dbraw/zinc/19/73/13/1019197313.db2.gz TZKZVBAEXWXMGR-NXEZZACHSA-N -1 0 317.305 -0.518 20 0 DBADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001608488235 1019197337 /nfs/dbraw/zinc/19/73/37/1019197337.db2.gz XLQRTIWSZIOFKM-NZEXEKPDSA-N -1 0 313.350 -0.451 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001608491660 1019197400 /nfs/dbraw/zinc/19/74/00/1019197400.db2.gz LZNWQVGDJLLXAQ-XAVMHZPKSA-N -1 0 320.305 -0.720 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)Nc3ncccn3)CC2)CCOC1 ZINC001608527827 1019200349 /nfs/dbraw/zinc/20/03/49/1019200349.db2.gz SHEGTRFSIYLUJW-CQSZACIVSA-N -1 0 321.337 -0.130 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NS(=O)(=O)c1ccns1 ZINC001608535540 1019201453 /nfs/dbraw/zinc/20/14/53/1019201453.db2.gz JPLPCLVJQVHIQI-LURJTMIESA-N -1 0 308.337 -0.362 20 0 DBADRM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)[C@H]1CCCNC1=O ZINC001608537007 1019201535 /nfs/dbraw/zinc/20/15/35/1019201535.db2.gz SHYGCDVPPGXEER-DTWKUNHWSA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])C(=O)CCCOC(=O)c1ccc(-n2cnnn2)cn1 ZINC001608528975 1019202137 /nfs/dbraw/zinc/20/21/37/1019202137.db2.gz VPRFFVOYLVULQM-UHFFFAOYSA-N -1 0 305.250 -0.352 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1cccc2c1OCCCO2 ZINC001608540358 1019202374 /nfs/dbraw/zinc/20/23/74/1019202374.db2.gz RFGWCKAOTDPRPW-MRVPVSSYSA-N -1 0 317.319 -0.428 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)NCC[C@@]2(O)CCOC2)CC1 ZINC001608554285 1019203335 /nfs/dbraw/zinc/20/33/35/1019203335.db2.gz HHOJPQSGXMLQOM-SMDDNHRTSA-N -1 0 316.354 -0.605 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC001608554458 1019203589 /nfs/dbraw/zinc/20/35/89/1019203589.db2.gz QGKWYMBQBJGIQD-UWVGGRQHSA-N -1 0 305.352 -0.752 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)c2cc3n(n2)CCCO3)CC1 ZINC001608553513 1019203766 /nfs/dbraw/zinc/20/37/66/1019203766.db2.gz AGWRPEFTFLPRAH-GFCCVEGCSA-N -1 0 309.322 -0.037 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(S(=O)(=O)N2CCCOCC2)CC1 ZINC001608556684 1019204408 /nfs/dbraw/zinc/20/44/08/1019204408.db2.gz FAMRTTPOOJSJGQ-LLVKDONJSA-N -1 0 322.383 -0.889 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)NOC[C@@H]2CCOC2)CC1 ZINC001608556279 1019205096 /nfs/dbraw/zinc/20/50/96/1019205096.db2.gz ZIFMJIAYZAXJIN-KOLCDFICSA-N -1 0 302.327 -0.178 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC[C@H](O)[C@@H](CO)C2)CCC1 ZINC001608570166 1019205160 /nfs/dbraw/zinc/20/51/60/1019205160.db2.gz FTKCQAMPDYIUBR-ZJUUUORDSA-N -1 0 307.368 -0.754 20 0 DBADRM O=C([O-])C1(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001608564613 1019205234 /nfs/dbraw/zinc/20/52/34/1019205234.db2.gz BVTZQYGRZRYDMQ-CABZTGNLSA-N -1 0 317.363 -0.296 20 0 DBADRM O=C([O-])C1(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC001608566012 1019205278 /nfs/dbraw/zinc/20/52/78/1019205278.db2.gz JFBITZKQOZCVRO-UHFFFAOYSA-N -1 0 313.335 -0.659 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C1CC1 ZINC001608552695 1019205881 /nfs/dbraw/zinc/20/58/81/1019205881.db2.gz LLRCFTUVDLJEIK-SNVBAGLBSA-N -1 0 320.367 -0.477 20 0 DBADRM O=C([O-])[C@]1(O)CCN(CCn2cnc(Br)n2)C1 ZINC001608578081 1019207250 /nfs/dbraw/zinc/20/72/50/1019207250.db2.gz HJKRJZNUSHICOR-VIFPVBQESA-N -1 0 305.132 -0.438 20 0 DBADRM O=C([O-])[C@]1(N2CCN(c3ccc4nncn4n3)CC2)CCOC1 ZINC001608574926 1019208133 /nfs/dbraw/zinc/20/81/33/1019208133.db2.gz CSMGQPCCBHGAFW-AWEZNQCLSA-N -1 0 318.337 -0.510 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCc2nnnn2C2CC2)CCC1 ZINC001608575122 1019208250 /nfs/dbraw/zinc/20/82/50/1019208250.db2.gz ZKDCHUKBJPRCNZ-UHFFFAOYSA-N -1 0 315.355 -0.318 20 0 DBADRM O=C([O-])C1(O)CN(c2ccc(CO)c(Br)n2)C1 ZINC001608579021 1019208805 /nfs/dbraw/zinc/20/88/05/1019208805.db2.gz DMJLUVUHIJMDIK-UHFFFAOYSA-N -1 0 303.112 -0.028 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(c3ccc4nncn4n3)CC2)CCOC1 ZINC001608574927 1019209884 /nfs/dbraw/zinc/20/98/84/1019209884.db2.gz CSMGQPCCBHGAFW-CQSZACIVSA-N -1 0 318.337 -0.510 20 0 DBADRM O=C([O-])C1=NOC2(C1)CCN(C(=O)CCn1ccnn1)CC2 ZINC001608590914 1019211089 /nfs/dbraw/zinc/21/10/89/1019211089.db2.gz YVXLCIGIGLHKBP-UHFFFAOYSA-N -1 0 307.310 -0.110 20 0 DBADRM O=C([O-])C1=CC[C@@H](n2nnnc2N2CCC3(C2)OCCO3)C1 ZINC001608590075 1019212814 /nfs/dbraw/zinc/21/28/14/1019212814.db2.gz AZRCUJNMCYWQGN-SNVBAGLBSA-N -1 0 307.310 -0.028 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)[C@@H](O)c3ccccn3)C2)C1 ZINC001608590812 1019212884 /nfs/dbraw/zinc/21/28/84/1019212884.db2.gz GIHAKTQOCJPIAU-FZMZJTMJSA-N -1 0 305.290 -0.053 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2ccccc2-n2cnnn2)C1 ZINC001608601107 1019214936 /nfs/dbraw/zinc/21/49/36/1019214936.db2.gz HQAVWFRTEBUKSJ-NXEZZACHSA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc2c(n1)OCCO2 ZINC001608598511 1019215692 /nfs/dbraw/zinc/21/56/92/1019215692.db2.gz XIVLLUFXKDTRHX-ONGXEEELSA-N -1 0 308.290 -0.097 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(S(=O)(=O)c2c[nH]nc2Cl)C1 ZINC001608601330 1019216341 /nfs/dbraw/zinc/21/63/41/1019216341.db2.gz IYEJRBSDCKPGOG-WDSKDSINSA-N -1 0 309.731 -0.481 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC(F)(F)CC2)C1 ZINC001608602318 1019216857 /nfs/dbraw/zinc/21/68/57/1019216857.db2.gz PKVWLXQICZGNSX-DTWKUNHWSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(C(=O)C1=NN(CCO)C(=O)CC1)CC2 ZINC001608607013 1019217797 /nfs/dbraw/zinc/21/77/97/1019217797.db2.gz XIXUTERIWCHGCA-JTQLQIEISA-N -1 0 323.349 -0.330 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)Cn2ccnc2)CC1 ZINC001608609479 1019218376 /nfs/dbraw/zinc/21/83/76/1019218376.db2.gz AUXVXHIAORZUFI-GHMZBOCLSA-N -1 0 306.322 -0.725 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001608609570 1019218460 /nfs/dbraw/zinc/21/84/60/1019218460.db2.gz CDBCSIRJWSHXRB-XSPKLOCKSA-N -1 0 309.326 -0.785 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)Cc2ccc[nH]2)C1 ZINC001608609673 1019218488 /nfs/dbraw/zinc/21/84/88/1019218488.db2.gz COZHMNLWVKBXDJ-RYUDHWBXSA-N -1 0 305.334 -0.148 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC[C@H]2C2CC2)C1 ZINC001608603396 1019220019 /nfs/dbraw/zinc/22/00/19/1019220019.db2.gz WXTVRPAJYZHCHK-WOPDTQHZSA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(Cc2nc(C3CC3)no2)C1 ZINC001608610029 1019221583 /nfs/dbraw/zinc/22/15/83/1019221583.db2.gz FVSGMOSQMNJXKR-VHSXEESVSA-N -1 0 306.322 -0.032 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ncccn3)C[C@H]21 ZINC001608610185 1019221635 /nfs/dbraw/zinc/22/16/35/1019221635.db2.gz IHIHXNHVAMSFTR-HKLXJQGRSA-N -1 0 302.334 -0.256 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cnn3cc[nH]c23)C1 ZINC001608609895 1019222353 /nfs/dbraw/zinc/22/23/53/1019222353.db2.gz FLVJKRUDOXJWRK-BDAKNGLRSA-N -1 0 317.305 -0.676 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cnn3cc[nH]c23)C1 ZINC001608609898 1019222729 /nfs/dbraw/zinc/22/27/29/1019222729.db2.gz FLVJKRUDOXJWRK-RKDXNWHRSA-N -1 0 317.305 -0.676 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ncccn2)CC1 ZINC001608610110 1019222791 /nfs/dbraw/zinc/22/27/91/1019222791.db2.gz GZTACGMHMOIYAV-ZJUUUORDSA-N -1 0 304.306 -0.518 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)c2cccnn2)CC1 ZINC001608609857 1019222880 /nfs/dbraw/zinc/22/28/80/1019222880.db2.gz DUJJGQMOKDPQLP-QWRGUYRKSA-N -1 0 318.333 -0.128 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)Cn2ccnc2)CC1 ZINC001608611117 1019224617 /nfs/dbraw/zinc/22/46/17/1019224617.db2.gz NMKMQOBLNVGCIM-VXGBXAGGSA-N -1 0 320.349 -0.335 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(F)cn3)C[C@H]21 ZINC001608612032 1019224821 /nfs/dbraw/zinc/22/48/21/1019224821.db2.gz XREVUNXWRLJPNJ-QXDXILDGSA-N -1 0 306.297 -0.113 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]n1 ZINC001608611094 1019225091 /nfs/dbraw/zinc/22/50/91/1019225091.db2.gz NEERDDOXSQZTHN-UTINFBMNSA-N -1 0 319.321 -0.659 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)Cc2cnoc2)CC1 ZINC001608611257 1019226158 /nfs/dbraw/zinc/22/61/58/1019226158.db2.gz OEYDWKUNBIUDJA-RYUDHWBXSA-N -1 0 321.333 -0.001 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(F)cn3)C[C@H]21 ZINC001608612030 1019226179 /nfs/dbraw/zinc/22/61/79/1019226179.db2.gz XREVUNXWRLJPNJ-DADSOTLSSA-N -1 0 306.297 -0.113 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]n1 ZINC001608611092 1019226346 /nfs/dbraw/zinc/22/63/46/1019226346.db2.gz NEERDDOXSQZTHN-QCLAVDOMSA-N -1 0 319.321 -0.659 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]2C(=O)N(CCNC(=O)C3CC3)C(=O)N2C1 ZINC001608621010 1019227544 /nfs/dbraw/zinc/22/75/44/1019227544.db2.gz XKXLCQFWBVTXRE-NXEZZACHSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001608612558 1019228017 /nfs/dbraw/zinc/22/80/17/1019228017.db2.gz XKMSTBBUOIXTFO-RKDXNWHRSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(Cc2nnnn2C2CC2)C1 ZINC001608612082 1019228598 /nfs/dbraw/zinc/22/85/98/1019228598.db2.gz SOASAPVBCVKNQL-ZJUUUORDSA-N -1 0 306.326 -0.971 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)Cc2cncs2)C1 ZINC001608612083 1019229283 /nfs/dbraw/zinc/22/92/83/1019229283.db2.gz SOTJBGLVCKLUQT-NXEZZACHSA-N -1 0 309.347 -0.267 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)CCn2cccn2)C1 ZINC001608612248 1019229464 /nfs/dbraw/zinc/22/94/64/1019229464.db2.gz UGABAWGZLPNMDM-RYUDHWBXSA-N -1 0 320.349 -0.432 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCC1 ZINC001608612544 1019229629 /nfs/dbraw/zinc/22/96/29/1019229629.db2.gz XGNGHDPUKHQLAL-KKJSVHSVSA-N -1 0 322.361 -0.245 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)CC2CCC2)C1 ZINC001608612264 1019229856 /nfs/dbraw/zinc/22/98/56/1019229856.db2.gz UHOOCVZPTGACNZ-WDEREUQCSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)CN2CCNCC2=O)[C@H]2CCC[C@H]21 ZINC001608631334 1019231021 /nfs/dbraw/zinc/23/10/21/1019231021.db2.gz GLYGZLSLSMPWCZ-TUAOUCFPSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H](CO)[C@H]1CCOC1 ZINC001608626813 1019232423 /nfs/dbraw/zinc/23/24/23/1019232423.db2.gz NGGBTTGJYJPUIZ-USZNOCQGSA-N -1 0 321.395 -0.053 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@@H](O)[C@@H]2CCCO2)CC1 ZINC001608635693 1019233530 /nfs/dbraw/zinc/23/35/30/1019233530.db2.gz WECDWCZGILXGGS-MNOVXSKESA-N -1 0 322.383 -0.843 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1cncs1 ZINC001608647713 1019235555 /nfs/dbraw/zinc/23/55/55/1019235555.db2.gz SNNYYIPUFQHZQZ-VIFPVBQESA-N -1 0 318.376 -0.214 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)CN2CCOCC2=O)C1 ZINC001608648447 1019235720 /nfs/dbraw/zinc/23/57/20/1019235720.db2.gz ZXRVMWMWILVNRU-VIFPVBQESA-N -1 0 302.352 -0.879 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)NC[C@H]2COCCO2)C1 ZINC001608648295 1019236170 /nfs/dbraw/zinc/23/61/70/1019236170.db2.gz VYBWDHYQZALLDZ-UWVGGRQHSA-N -1 0 304.368 -0.139 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)CCN2CCOCC2)C1 ZINC001608648118 1019236256 /nfs/dbraw/zinc/23/62/56/1019236256.db2.gz OKPYQQMQYCAJNR-LLVKDONJSA-N -1 0 302.396 -0.015 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC001608675474 1019236759 /nfs/dbraw/zinc/23/67/59/1019236759.db2.gz LCLWOBJQIVXOAU-LLVKDONJSA-N -1 0 320.301 -0.095 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)c1cnn(C[C@H](O)CO)c1)C1CC1 ZINC001608667425 1019237386 /nfs/dbraw/zinc/23/73/86/1019237386.db2.gz FWFNMNXLJJPZMV-JQWIXIFHSA-N -1 0 311.338 -0.533 20 0 DBADRM O=C([O-])C[C@H](NC(=O)CN1CCNC(=O)C1)c1ccc(F)cc1 ZINC001608670822 1019238681 /nfs/dbraw/zinc/23/86/81/1019238681.db2.gz VUBWELQKVYXPOG-LBPRGKRZSA-N -1 0 323.324 -0.111 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)c1cncc(N2CCOCC2)c1 ZINC001608676002 1019239327 /nfs/dbraw/zinc/23/93/27/1019239327.db2.gz SXJAWIWIIHZAJA-GFCCVEGCSA-N -1 0 309.322 -0.516 20 0 DBADRM O=C([O-])CC1(NC(=O)CCc2nc(-c3nc[nH]n3)no2)CC1 ZINC001608683613 1019239790 /nfs/dbraw/zinc/23/97/90/1019239790.db2.gz TXSAPUKSTYDWEZ-UHFFFAOYSA-N -1 0 306.282 -0.089 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)C(=O)Nc2cncc(F)c2)CCOC1 ZINC001608682083 1019240253 /nfs/dbraw/zinc/24/02/53/1019240253.db2.gz DYIIPTQQFDEPLM-CYBMUJFWSA-N -1 0 311.269 -0.091 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)CCOC1 ZINC001608682753 1019240537 /nfs/dbraw/zinc/24/05/37/1019240537.db2.gz IGQJPUKGQJQUFE-GUSCCFJKSA-N -1 0 311.334 -0.022 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)Cc1noc2c1CCCC2 ZINC001608676356 1019240657 /nfs/dbraw/zinc/24/06/57/1019240657.db2.gz ZNYJUYCCRMZWKD-MRVPVSSYSA-N -1 0 318.351 -0.192 20 0 DBADRM O=C([O-])C[C@H](O)CNS(=O)(=O)c1ccnn1CC1CCC1 ZINC001608676874 1019240791 /nfs/dbraw/zinc/24/07/91/1019240791.db2.gz GPXPCEIPYCGRHV-JTQLQIEISA-N -1 0 317.367 -0.203 20 0 DBADRM O=C([O-])CC1(NC(=O)C2CCOCC2)CCS(=O)(=O)CC1 ZINC001608683045 1019240814 /nfs/dbraw/zinc/24/08/14/1019240814.db2.gz YKKDTIKEKYILTI-UHFFFAOYSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCC2(O)CCOCC2)CC1 ZINC001608681596 1019241089 /nfs/dbraw/zinc/24/10/89/1019241089.db2.gz XAVBMVFBVIGEMH-UHFFFAOYSA-N -1 0 307.368 -0.298 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NC[C@]2(CCO)CCOC2)CC1 ZINC001608681695 1019241161 /nfs/dbraw/zinc/24/11/61/1019241161.db2.gz ZMZUMKZERHXFAX-ZDUSSCGKSA-N -1 0 321.395 -0.050 20 0 DBADRM O=C([O-])CC1(NC(=O)CC2OCCO2)CCS(=O)(=O)CC1 ZINC001608683087 1019241193 /nfs/dbraw/zinc/24/11/93/1019241193.db2.gz BYSHKVNZYBBPOC-UHFFFAOYSA-N -1 0 321.351 -0.712 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001608690866 1019243047 /nfs/dbraw/zinc/24/30/47/1019243047.db2.gz FINORYUQYHNHMP-MLMFSQJDSA-N -1 0 308.334 -0.352 20 0 DBADRM O=C([O-])CC1(NS(=O)(=O)C2CC2)CCS(=O)(=O)CC1 ZINC001608688849 1019243463 /nfs/dbraw/zinc/24/34/63/1019243463.db2.gz YXJKSIYOKSUHNK-UHFFFAOYSA-N -1 0 311.381 -0.510 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCC(=O)c2cccn21 ZINC001608689483 1019244106 /nfs/dbraw/zinc/24/41/06/1019244106.db2.gz XAISVWRJWUWOBM-MNOVXSKESA-N -1 0 319.317 -0.193 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCCCn2cccn2)CCO1 ZINC001608698758 1019244921 /nfs/dbraw/zinc/24/49/21/1019244921.db2.gz NNKLPFJDIGLVSX-LLVKDONJSA-N -1 0 324.337 -0.909 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC001608694943 1019245886 /nfs/dbraw/zinc/24/58/86/1019245886.db2.gz FYSBHJHPSRLCIH-LLVKDONJSA-N -1 0 323.349 -0.715 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)CCO1 ZINC001608700281 1019246092 /nfs/dbraw/zinc/24/60/92/1019246092.db2.gz DUBKGSWVIFZNMW-LLVKDONJSA-N -1 0 317.305 -0.022 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nn2)CCO1 ZINC001608700230 1019246389 /nfs/dbraw/zinc/24/63/89/1019246389.db2.gz AQVNTXNFKDQONP-SNVBAGLBSA-N -1 0 317.305 -0.022 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCc2nnnn2CC2CC2)CCO1 ZINC001608700068 1019246562 /nfs/dbraw/zinc/24/65/62/1019246562.db2.gz WPTVWKUQKAJARK-SNVBAGLBSA-N -1 0 324.341 -0.532 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N2CC(NC3COC3)C2)cc1 ZINC001574728979 1019246485 /nfs/dbraw/zinc/24/64/85/1019246485.db2.gz APHXIQKKCMZRQT-UHFFFAOYSA-N -1 0 306.318 -0.037 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC3(CC2)C[C@H](O)CCO3)nn1 ZINC001574737947 1019246666 /nfs/dbraw/zinc/24/66/66/1019246666.db2.gz IIJTZZYVZQWCBB-SNVBAGLBSA-N -1 0 324.337 -0.491 20 0 DBADRM O=C([O-])COCCOCCNC(=O)CN1CCSC1=O ZINC001574729705 1019247105 /nfs/dbraw/zinc/24/71/05/1019247105.db2.gz CZDBMKRCTDSTHD-UHFFFAOYSA-N -1 0 306.340 -0.611 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001608695186 1019246644 /nfs/dbraw/zinc/24/66/44/1019246644.db2.gz OUMWAUCTUJQKCE-MNOVXSKESA-N -1 0 320.349 -0.151 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCC=CO1 ZINC001608702634 1019247613 /nfs/dbraw/zinc/24/76/13/1019247613.db2.gz VIKWCHBLZYLTJC-UWVGGRQHSA-N -1 0 303.336 -0.221 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N[C@H]2CCN(C3CCC3)C2=O)nn1 ZINC001574737956 1019247551 /nfs/dbraw/zinc/24/75/51/1019247551.db2.gz IOTRSKSZCRCMOW-VIFPVBQESA-N -1 0 307.310 -0.754 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC3(CC2)C[C@@H](O)CCO3)nn1 ZINC001574737946 1019248255 /nfs/dbraw/zinc/24/82/55/1019248255.db2.gz IIJTZZYVZQWCBB-JTQLQIEISA-N -1 0 324.337 -0.491 20 0 DBADRM O=C([O-])C[C@H]1CN(c2nnnn2CCOCC2CC2)CCO1 ZINC001608701862 1019248303 /nfs/dbraw/zinc/24/83/03/1019248303.db2.gz RFOSOTGEHIPTKF-NSHDSACASA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001608701306 1019248646 /nfs/dbraw/zinc/24/86/46/1019248646.db2.gz WPFJPPQIJRKHSQ-JMJZKYOTSA-N -1 0 310.310 -0.710 20 0 DBADRM O=C([O-])CC[C@H]1CCCN(C(=O)C(=O)N2CC=C[C@@H]2CO)C1 ZINC001608707124 1019248780 /nfs/dbraw/zinc/24/87/80/1019248780.db2.gz LBHVWMAPRYOFJC-VXGBXAGGSA-N -1 0 310.350 -0.151 20 0 DBADRM O=C([O-])CCN(C(=O)C[C@@H]1CC(=O)NC1=O)C1CCOCC1 ZINC001608720408 1019249640 /nfs/dbraw/zinc/24/96/40/1019249640.db2.gz JURAWVYCWZEIBP-VIFPVBQESA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC[C@@H]1C1OCCO1 ZINC001608714426 1019250089 /nfs/dbraw/zinc/25/00/89/1019250089.db2.gz XBOSTJMYWWPMNP-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC001608717976 1019250208 /nfs/dbraw/zinc/25/02/08/1019250208.db2.gz MLYRNOCBRQDHCF-MWLCHTKSSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])CCCNC(=O)N1CCC(C(=O)NCCO)CC1 ZINC001608714561 1019250509 /nfs/dbraw/zinc/25/05/09/1019250509.db2.gz KCHWRBFILXAVMK-UHFFFAOYSA-N -1 0 301.343 -0.619 20 0 DBADRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1nc2n(n1)CCCN2 ZINC001608721470 1019250953 /nfs/dbraw/zinc/25/09/53/1019250953.db2.gz WCTZABCIZQMBQP-JTQLQIEISA-N -1 0 323.353 -0.553 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001608718082 1019251078 /nfs/dbraw/zinc/25/10/78/1019251078.db2.gz ULGIKVUEPMXXAU-BDAKNGLRSA-N -1 0 306.340 -0.389 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC([C@H]2CCOC2)C1 ZINC001608727270 1019251701 /nfs/dbraw/zinc/25/17/01/1019251701.db2.gz KDAWDSSWKWVDBH-JTQLQIEISA-N -1 0 313.354 -0.355 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC[C@H]2COC[C@H]2C1 ZINC001608727319 1019251841 /nfs/dbraw/zinc/25/18/41/1019251841.db2.gz LTOWNMQYGKURHJ-WDEREUQCSA-N -1 0 313.354 -0.355 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCO[C@H](C(F)F)C1 ZINC001608727328 1019252168 /nfs/dbraw/zinc/25/21/68/1019252168.db2.gz MJMMCAXYOBJGRN-QMMMGPOBSA-N -1 0 323.296 -0.357 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)C1(C(=O)NC2CC2)CC1 ZINC001608727454 1019252310 /nfs/dbraw/zinc/25/23/10/1019252310.db2.gz QGJBWPQFQHGXDQ-UHFFFAOYSA-N -1 0 311.338 -0.858 20 0 DBADRM O=C([O-])CCN1CCC[C@H](OC(=O)[C@@H]2CCNC(=O)C2)C1=O ZINC001608725943 1019253442 /nfs/dbraw/zinc/25/34/42/1019253442.db2.gz XHVOCAAYAQOIJB-ZJUUUORDSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001608727580 1019253281 /nfs/dbraw/zinc/25/32/81/1019253281.db2.gz VGVZOLWYTDRXFY-SNVBAGLBSA-N -1 0 308.338 -0.457 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)Cn2cc(C3CC3)nn2)C1=O ZINC001608724918 1019253323 /nfs/dbraw/zinc/25/33/23/1019253323.db2.gz ZYMFYGNTMVOZIE-LLVKDONJSA-N -1 0 322.321 -0.226 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCC(CO)CC1 ZINC001608727250 1019253419 /nfs/dbraw/zinc/25/34/19/1019253419.db2.gz JRLKIXMKTKDBOT-UHFFFAOYSA-N -1 0 301.343 -0.619 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)C(=O)N1CCCCCC1 ZINC001608726829 1019254441 /nfs/dbraw/zinc/25/44/41/1019254441.db2.gz KAERFAVEFQYXIF-UHFFFAOYSA-N -1 0 313.354 -0.514 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](OC(=O)C2(n3cnnn3)CC2)C1=O ZINC001608725546 1019254847 /nfs/dbraw/zinc/25/48/47/1019254847.db2.gz OVDMTCNPMAAYPD-SECBINFHSA-N -1 0 323.309 -0.829 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC[C@@H](CCCO)C1 ZINC001608727610 1019255590 /nfs/dbraw/zinc/25/55/90/1019255590.db2.gz VZSCVGXJSWVMDB-LLVKDONJSA-N -1 0 315.370 -0.229 20 0 DBADRM O=C([O-])CCc1ccc(NC(=O)NC(CO)(CO)CO)cc1 ZINC001608738019 1019255695 /nfs/dbraw/zinc/25/56/95/1019255695.db2.gz HWPDWQQNWUTDBH-UHFFFAOYSA-N -1 0 312.322 -0.459 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC001608729397 1019255977 /nfs/dbraw/zinc/25/59/77/1019255977.db2.gz JJKLSLSGNINNGO-UHFFFAOYSA-N -1 0 321.289 -0.124 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)c1ccc(Cl)nn1 ZINC001608728755 1019257074 /nfs/dbraw/zinc/25/70/74/1019257074.db2.gz TZGLJWPMQNXLFG-UHFFFAOYSA-N -1 0 300.702 -0.159 20 0 DBADRM O=C([O-])CCNC(=O)CCNS(=O)(=O)c1ccccn1 ZINC001608729281 1019257468 /nfs/dbraw/zinc/25/74/68/1019257468.db2.gz OBOFSPIZGITIHB-UHFFFAOYSA-N -1 0 301.324 -0.659 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC[C@H](CCCO)C1 ZINC001608727611 1019257649 /nfs/dbraw/zinc/25/76/49/1019257649.db2.gz VZSCVGXJSWVMDB-NSHDSACASA-N -1 0 315.370 -0.229 20 0 DBADRM O=C([O-])CCNC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC001608729885 1019257788 /nfs/dbraw/zinc/25/77/88/1019257788.db2.gz ACKCWCQPRUFIRE-QMMMGPOBSA-N -1 0 316.339 -0.161 20 0 DBADRM O=C([O-])CN1CCN(C(=O)c2ccnn2CC(F)F)CC1 ZINC001608749187 1019258974 /nfs/dbraw/zinc/25/89/74/1019258974.db2.gz RDUPAHYJSZSMQM-UHFFFAOYSA-N -1 0 302.281 -0.009 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CCOCC(F)F ZINC001608745574 1019259051 /nfs/dbraw/zinc/25/90/51/1019259051.db2.gz XGCGNMFCQHQQLF-UHFFFAOYSA-N -1 0 324.324 -0.096 20 0 DBADRM O=C([O-])CCc1nnn(CC(=O)N2CCOC[C@H]2C2CC2)n1 ZINC001608742641 1019259388 /nfs/dbraw/zinc/25/93/88/1019259388.db2.gz VBKIMVQYBSIMRX-JTQLQIEISA-N -1 0 309.326 -0.672 20 0 DBADRM O=C([O-])CCc1csc(NC(=O)CN2CCNC(=O)C2)n1 ZINC001608741700 1019259688 /nfs/dbraw/zinc/25/96/88/1019259688.db2.gz XHYVFVPPYAFAID-UHFFFAOYSA-N -1 0 312.351 -0.469 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC001608745464 1019259953 /nfs/dbraw/zinc/25/99/53/1019259953.db2.gz NBCHEPABLNWNTO-LEWSCRJBSA-N -1 0 310.350 -0.543 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)CC1(Cn2cnnn2)CCCCC1 ZINC001574806078 1019260244 /nfs/dbraw/zinc/26/02/44/1019260244.db2.gz NIAKUSVIUNDRAB-SNVBAGLBSA-N -1 0 311.342 -0.425 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)CCc1cnccn1 ZINC001608750274 1019260344 /nfs/dbraw/zinc/26/03/44/1019260344.db2.gz HVPQMWKGEHOKSX-NSHDSACASA-N -1 0 306.322 -0.399 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@H](O)c1cccnc1 ZINC001608745588 1019261141 /nfs/dbraw/zinc/26/11/41/1019261141.db2.gz YNVCRXWVIZBPMN-CQSZACIVSA-N -1 0 323.349 -0.640 20 0 DBADRM O=C([O-])CN1CCN(CC2=NS(=O)(=O)c3ccccc32)CC1 ZINC001608749366 1019261212 /nfs/dbraw/zinc/26/12/12/1019261212.db2.gz AZRXRTYWMLFOCA-UHFFFAOYSA-N -1 0 323.374 -0.120 20 0 DBADRM O=C([O-])CN1CCN(C(=O)c2cc3n(n2)CCC[C@H]3O)CC1 ZINC001608749265 1019261548 /nfs/dbraw/zinc/26/15/48/1019261548.db2.gz VRDCPXOMEWQBEJ-GFCCVEGCSA-N -1 0 308.338 -0.447 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001574817611 1019261798 /nfs/dbraw/zinc/26/17/98/1019261798.db2.gz MYEHWKZZWRHBLF-SSDOTTSWSA-N -1 0 302.264 -0.743 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001608750083 1019261878 /nfs/dbraw/zinc/26/18/78/1019261878.db2.gz DZMFOKXLNVCGLM-PSASIEDQSA-N -1 0 321.337 -0.584 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1cn(CCc2ccccc2)nn1 ZINC001574812969 1019262585 /nfs/dbraw/zinc/26/25/85/1019262585.db2.gz GSJFFEQFDOCSHM-LBPRGKRZSA-N -1 0 304.306 -0.304 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1cnc2[nH]cnc2c1 ZINC001608751038 1019262798 /nfs/dbraw/zinc/26/27/98/1019262798.db2.gz MXCZUMJFRZPCDU-SNVBAGLBSA-N -1 0 317.305 -0.237 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1cc(F)c[nH]c1=O ZINC001608751289 1019263198 /nfs/dbraw/zinc/26/31/98/1019263198.db2.gz XDEXNFRDCJCRML-SECBINFHSA-N -1 0 311.269 -0.268 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cnn2c1NCCC2 ZINC001608751473 1019264162 /nfs/dbraw/zinc/26/41/62/1019264162.db2.gz QGADBBRORRBCOW-JTQLQIEISA-N -1 0 321.337 -0.496 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC001608752378 1019264482 /nfs/dbraw/zinc/26/44/82/1019264482.db2.gz PANLDZRDUJLXPG-ZJUUUORDSA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCc2nncn2C1 ZINC001608750885 1019264541 /nfs/dbraw/zinc/26/45/41/1019264541.db2.gz QQFOCTWIRPGDPO-NXEZZACHSA-N -1 0 321.337 -0.968 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)C1(C(F)(F)F)CCOCC1 ZINC001608752198 1019264560 /nfs/dbraw/zinc/26/45/60/1019264560.db2.gz ONYYZAYKZDIRLN-UHFFFAOYSA-N -1 0 312.244 -0.338 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1CC[S@](=O)C(F)(F)F ZINC001608751646 1019264737 /nfs/dbraw/zinc/26/47/37/1019264737.db2.gz VLIMNOUWYWOYSI-JKNYTWMOSA-N -1 0 316.301 -0.080 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc(-n2ccnc2)ccn1 ZINC001608753252 1019266612 /nfs/dbraw/zinc/26/66/12/1019266612.db2.gz UEWQEKNBUJXIHD-UHFFFAOYSA-N -1 0 303.278 -0.802 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)[C@H]2CCNC2=O)cc1 ZINC001608753841 1019266686 /nfs/dbraw/zinc/26/66/86/1019266686.db2.gz PJYDRATVEVUPIV-NSHDSACASA-N -1 0 319.317 -0.496 20 0 DBADRM O=C([O-])COCC(=O)NCC[C@@]1(O)C(=O)Nc2ccccc21 ZINC001608756491 1019266727 /nfs/dbraw/zinc/26/67/27/1019266727.db2.gz GKNWYCBWMRUTHW-AWEZNQCLSA-N -1 0 308.290 -0.566 20 0 DBADRM O=C([O-])COCCNC(=O)NCC1(C2(O)CCOCC2)CC1 ZINC001608757469 1019267554 /nfs/dbraw/zinc/26/75/54/1019267554.db2.gz FNVJQVUMWHHJSN-UHFFFAOYSA-N -1 0 316.354 -0.292 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)[C@H]2CC(=O)N2)cc1 ZINC001608753976 1019268199 /nfs/dbraw/zinc/26/81/99/1019268199.db2.gz XEUUWKFPBHLWTQ-SNVBAGLBSA-N -1 0 305.290 -0.743 20 0 DBADRM O=C([O-])COCCNC(=O)NCC(=O)NCc1ccccc1 ZINC001608757719 1019269846 /nfs/dbraw/zinc/26/98/46/1019269846.db2.gz WUTLEOSQXFDYCY-UHFFFAOYSA-N -1 0 309.322 -0.297 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N[C@@H]2COCC[C@H]2O)cc1 ZINC001608783781 1019270082 /nfs/dbraw/zinc/27/00/82/1019270082.db2.gz UGYFILLMFHPFJO-VXGBXAGGSA-N -1 0 315.347 -0.258 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)CC[C@H]2NC(=O)NC2=O)n1 ZINC001608791897 1019270791 /nfs/dbraw/zinc/27/07/91/1019270791.db2.gz FEJWQQWVJJZJJR-ZCFIWIBFSA-N -1 0 312.307 -0.303 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N2CCOCC2)cc1 ZINC001608760281 1019272275 /nfs/dbraw/zinc/27/22/75/1019272275.db2.gz XQANSQRJAXPFEE-UHFFFAOYSA-N -1 0 308.290 -0.053 20 0 DBADRM O=C([O-])Cn1cc(CCN2CCN(c3cccnn3)CC2)nn1 ZINC001608796567 1019273970 /nfs/dbraw/zinc/27/39/70/1019273970.db2.gz DQRLKBNUUIDPLL-UHFFFAOYSA-N -1 0 317.353 -0.483 20 0 DBADRM O=C([O-])Cn1cc(CN2CC[C@H](NC(=O)NC3CC3)C2)nn1 ZINC001608797229 1019274054 /nfs/dbraw/zinc/27/40/54/1019274054.db2.gz WJCMLRAWAOGYRV-JTQLQIEISA-N -1 0 308.342 -0.601 20 0 DBADRM C=C/C(C)=C\CC(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001505377074 1019274899 /nfs/dbraw/zinc/27/48/99/1019274899.db2.gz XTKWZJQBHHMGGJ-BSKOKIOFSA-N -1 0 323.353 -0.167 20 0 DBADRM O=C([O-])Cn1cc(Cn2ncc(C(F)(F)F)cc2=O)nn1 ZINC001608797934 1019274879 /nfs/dbraw/zinc/27/48/79/1019274879.db2.gz ZGSACOMEGLVIDK-UHFFFAOYSA-N -1 0 303.200 -0.014 20 0 DBADRM O=C([O-])Cn1cc(CNCC[S@](=O)CC(F)(F)F)nn1 ZINC001608797665 1019275125 /nfs/dbraw/zinc/27/51/25/1019275125.db2.gz RXBFLRLGCPIGSB-FQEVSTJZSA-N -1 0 314.289 -0.237 20 0 DBADRM O=C([O-])c1cc(C(=O)OCCN2CCCS2(=O)=O)on1 ZINC001608838801 1019288012 /nfs/dbraw/zinc/28/80/12/1019288012.db2.gz WUDQGMGMISUUEF-UHFFFAOYSA-N -1 0 304.280 -0.435 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)C2(O)Cc3ccccc3C2)n[nH]1 ZINC001608793351 1019275870 /nfs/dbraw/zinc/27/58/70/1019275870.db2.gz NKODOHPDRDPYIP-UHFFFAOYSA-N -1 0 302.290 -0.100 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)O1 ZINC001608803877 1019278367 /nfs/dbraw/zinc/27/83/67/1019278367.db2.gz PYTJBIAWZGDEHF-LOWDOPEQSA-N -1 0 312.366 -0.324 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@H]2COC3(CCOCC3)O2)O1 ZINC001608804115 1019279561 /nfs/dbraw/zinc/27/95/61/1019279561.db2.gz AMDDIMVNCIGTCL-AXFHLTTASA-N -1 0 315.322 -0.343 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)C[C@@H]1CCCC2(CCC2)O1 ZINC001608801558 1019279791 /nfs/dbraw/zinc/27/97/91/1019279791.db2.gz AWEBXRBYMDXNAP-UWVGGRQHSA-N -1 0 307.368 -0.157 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H](CO)[C@H](O)c2cccnc2)O1 ZINC001608803840 1019280258 /nfs/dbraw/zinc/28/02/58/1019280258.db2.gz HMKAZKSPLARPSM-WISYIIOYSA-N -1 0 310.306 -0.776 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N(C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1=O ZINC001608813629 1019281482 /nfs/dbraw/zinc/28/14/82/1019281482.db2.gz AVOCZQLPUOLILK-FKSVDQQFSA-N -1 0 310.306 -0.569 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CC[C@H](CN3CCOC3=O)C2)C(=O)O1 ZINC001608808944 1019281530 /nfs/dbraw/zinc/28/15/30/1019281530.db2.gz PLIJAFLKKGVMEZ-UWVGGRQHSA-N -1 0 313.310 -0.377 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001608815221 1019282062 /nfs/dbraw/zinc/28/20/62/1019282062.db2.gz DHVZUGKGGOYAMR-YVYAFRQESA-N -1 0 302.352 -0.609 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1Cc1ncccc1F ZINC001608813094 1019282408 /nfs/dbraw/zinc/28/24/08/1019282408.db2.gz NIKLJMMFYJWOME-KWQFWETISA-N -1 0 322.296 -0.200 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)nc1F ZINC001608811045 1019282472 /nfs/dbraw/zinc/28/24/72/1019282472.db2.gz CHCFFMWKSWNOOL-RITPCOANSA-N -1 0 308.262 -0.432 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N(CCCO[C@H]2CCOC2)C1=O ZINC001608814181 1019282812 /nfs/dbraw/zinc/28/28/12/1019282812.db2.gz REZYISYTAIRGJD-LNFKQOIKSA-N -1 0 312.322 -0.177 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N(Cc2cnn(CCF)c2)C1=O ZINC001608814281 1019283587 /nfs/dbraw/zinc/28/35/87/1019283587.db2.gz UCPZUBFDSYHGQY-BBBLOLIVSA-N -1 0 310.285 -0.006 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N([C@H]2CC(=O)N(C3CC3)C2)C1=O ZINC001608814398 1019283871 /nfs/dbraw/zinc/28/38/71/1019283871.db2.gz VNYSHBBXXKCMJG-YSSBGUOXSA-N -1 0 307.306 -0.609 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2C[C@H](CCO)[C@H](CO)C2)C1 ZINC001608823585 1019284684 /nfs/dbraw/zinc/28/46/84/1019284684.db2.gz BUFGXUICGSTVSV-XWLWVQCSSA-N -1 0 307.368 -0.898 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCOC[C@@]23CCOC3)C1 ZINC001608824117 1019284781 /nfs/dbraw/zinc/28/47/81/1019284781.db2.gz JILPWFKLEIDTSG-UMNHJUIQSA-N -1 0 305.352 -0.329 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1cccc(-n2cncn2)n1 ZINC001608823702 1019285435 /nfs/dbraw/zinc/28/54/35/1019285435.db2.gz LBQRDSGTWKJINJ-PSASIEDQSA-N -1 0 303.278 -0.678 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC2CN(c3ccncn3)C2)C1 ZINC001608823926 1019285529 /nfs/dbraw/zinc/28/55/29/1019285529.db2.gz BIGWSSCTPJETJT-WAAGHKOSSA-N -1 0 312.351 -0.552 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(c3nnnn3CCOC[C@H]3CCCO3)C[C@@H]21 ZINC001608817146 1019287416 /nfs/dbraw/zinc/28/74/16/1019287416.db2.gz BIUJBXKQPKJKMG-WYUUTHIRSA-N -1 0 323.353 -0.365 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H](CO)C2CCOCC2)c[nH]1 ZINC001608860006 1019288000 /nfs/dbraw/zinc/28/80/00/1019288000.db2.gz QWLUWWLSCSVKHT-LLVKDONJSA-N -1 0 318.351 -0.221 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H](CO)[C@H]2CCOC2)c[nH]1 ZINC001608860057 1019288445 /nfs/dbraw/zinc/28/84/45/1019288445.db2.gz TUOXAJUSXCOZTI-OIBJUYFYSA-N -1 0 304.324 -0.611 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCSC[C@H]2CO)n[nH]1 ZINC001608859040 1019288836 /nfs/dbraw/zinc/28/88/36/1019288836.db2.gz YVGRLJXVTIFYLH-ZCFIWIBFSA-N -1 0 307.353 -0.794 20 0 DBADRM O=C([O-])c1cc(F)cc(C(=O)NCCN2C(=O)CNC2=O)c1 ZINC001608849141 1019289609 /nfs/dbraw/zinc/28/96/09/1019289609.db2.gz QJHFXLQOMXCZEN-UHFFFAOYSA-N -1 0 309.253 -0.195 20 0 DBADRM O=C([O-])c1cc(C2CN(C(=O)NCC[C@]3(O)CCOC3)C2)[nH]n1 ZINC001608840504 1019289652 /nfs/dbraw/zinc/28/96/52/1019289652.db2.gz WOSGZGNGXDYGBC-AWEZNQCLSA-N -1 0 324.337 -0.242 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@@H](CO)[C@@H](O)c2cccnc2)on1 ZINC001608836850 1019289681 /nfs/dbraw/zinc/28/96/81/1019289681.db2.gz WAEMPQCCNIGPLP-ONGXEEELSA-N -1 0 307.262 -0.408 20 0 DBADRM O=C([O-])c1cc(CN2CCC(O)(COCCO)CC2)on1 ZINC001608841966 1019289748 /nfs/dbraw/zinc/28/97/48/1019289748.db2.gz RNTFNBPCRUMDEG-UHFFFAOYSA-N -1 0 300.311 -0.291 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H](CO)[C@@H]2CCCOC2)n[nH]1 ZINC001608859855 1019289971 /nfs/dbraw/zinc/28/99/71/1019289971.db2.gz KYMXQDYASZFCIR-VXNVDRBHSA-N -1 0 319.339 -0.826 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H](CO)c2ncc[nH]2)c[nH]1 ZINC001608859900 1019290352 /nfs/dbraw/zinc/29/03/52/1019290352.db2.gz MGKUOACKCUGBEL-MRVPVSSYSA-N -1 0 300.296 -0.552 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCCn2cnccc2=O)c[nH]1 ZINC001608861393 1019290845 /nfs/dbraw/zinc/29/08/45/1019290845.db2.gz IUKVUMHHGCUSJY-UHFFFAOYSA-N -1 0 312.307 -0.752 20 0 DBADRM O=C([O-])c1ccc(NC(=O)[C@@]2(F)CCS(=O)(=O)C2)nn1 ZINC001608898678 1019292479 /nfs/dbraw/zinc/29/24/79/1019292479.db2.gz BJZAJSDNKAEWCG-SNVBAGLBSA-N -1 0 303.271 -0.360 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC001608880088 1019292792 /nfs/dbraw/zinc/29/27/92/1019292792.db2.gz PBEVYONYFBGTPN-NSHDSACASA-N -1 0 317.301 -0.310 20 0 DBADRM O=C([O-])c1ccc(OC[C@H](O)CN2CCN(CCO)CC2)cc1 ZINC001608907132 1019293346 /nfs/dbraw/zinc/29/33/46/1019293346.db2.gz XHRFTJRJCAQHOK-CQSZACIVSA-N -1 0 324.377 -0.266 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CCC[C@@H](C3OCCO3)C2)n1 ZINC001608870771 1019293887 /nfs/dbraw/zinc/29/38/87/1019293887.db2.gz NVEMAIKPPSIKTR-SNVBAGLBSA-N -1 0 309.322 -0.016 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CC[C@H](N3CCCC3=O)C2)n1 ZINC001608950159 1019296046 /nfs/dbraw/zinc/29/60/46/1019296046.db2.gz AHYJPLKGXPOPKA-JTQLQIEISA-N -1 0 306.322 -0.195 20 0 DBADRM O=C([O-])c1ccccc1CN1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001608946507 1019296063 /nfs/dbraw/zinc/29/60/63/1019296063.db2.gz NQMAFLCDEQFUDF-NSHDSACASA-N -1 0 311.363 -0.281 20 0 DBADRM O=C([O-])c1cccc(CS(=O)(=O)NC[C@@H]2COCCN2)c1 ZINC001608932649 1019296869 /nfs/dbraw/zinc/29/68/69/1019296869.db2.gz VSJMXLASJMNNIL-GFCCVEGCSA-N -1 0 314.363 -0.207 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N2CCc3[nH]cnc3C2)c1=O ZINC001608950103 1019297156 /nfs/dbraw/zinc/29/71/56/1019297156.db2.gz XTBIDICSAHVZOP-UHFFFAOYSA-N -1 0 302.290 -0.146 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001608956050 1019297936 /nfs/dbraw/zinc/29/79/36/1019297936.db2.gz CJANYGRYUKLNGZ-FHHFXDHISA-N -1 0 305.333 -0.128 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CCn3cnccc3=O)C2)nn1 ZINC001608962294 1019298391 /nfs/dbraw/zinc/29/83/91/1019298391.db2.gz IHRNUYWWYROVBM-UHFFFAOYSA-N -1 0 318.293 -0.993 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCOC[C@@H]2C[C@H]2CCCO2)nn1 ZINC001608963282 1019298990 /nfs/dbraw/zinc/29/89/90/1019298990.db2.gz HIMNPZXFGQBBAK-WDEREUQCSA-N -1 0 324.337 -0.227 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(Cc3nnnn3C3CC3)C2)nn1 ZINC001608962061 1019299695 /nfs/dbraw/zinc/29/96/95/1019299695.db2.gz LPTYBZNMKOIUDZ-SECBINFHSA-N -1 0 304.314 -0.255 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)[C@]3(F)CCOC3)C2)nc1 ZINC001608974485 1019301226 /nfs/dbraw/zinc/30/12/26/1019301226.db2.gz WHNMBNZSXAPNOV-HZMBPMFUSA-N -1 0 324.312 -0.002 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC(Cn3cncn3)CC2)nn1 ZINC001608963289 1019301244 /nfs/dbraw/zinc/30/12/44/1019301244.db2.gz HMMODPBGLGHJPN-UHFFFAOYSA-N -1 0 319.325 -0.493 20 0 DBADRM O=C([O-])c1cnc(N2CCS(=O)(=O)C[C@@H]2CCO)nc1 ZINC001608975099 1019301354 /nfs/dbraw/zinc/30/13/54/1019301354.db2.gz JZZZKUWPBMWMAS-VIFPVBQESA-N -1 0 301.324 -0.839 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@@H]2CCCc3n[nH]cc32)nn1 ZINC001608963615 1019301618 /nfs/dbraw/zinc/30/16/18/1019301618.db2.gz BIRARXFSFIBXRE-MRVPVSSYSA-N -1 0 304.310 -0.064 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCC[C@H](OCCO)C1 ZINC001608965401 1019301683 /nfs/dbraw/zinc/30/16/83/1019301683.db2.gz OMAFPDISARYHSH-QMMMGPOBSA-N -1 0 319.339 -0.730 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H](Cn3ccnn3)C2)nn1 ZINC001608963363 1019302126 /nfs/dbraw/zinc/30/21/26/1019302126.db2.gz LEKJZMOTWFUZAS-JTQLQIEISA-N -1 0 319.325 -0.493 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@H]2CCCc3n[nH]cc32)nn1 ZINC001608963616 1019302229 /nfs/dbraw/zinc/30/22/29/1019302229.db2.gz BIRARXFSFIBXRE-QMMMGPOBSA-N -1 0 304.310 -0.064 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCC[C@@H](OCCO)C1 ZINC001608965400 1019302585 /nfs/dbraw/zinc/30/25/85/1019302585.db2.gz OMAFPDISARYHSH-MRVPVSSYSA-N -1 0 319.339 -0.730 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCNc1cnccn1 ZINC001608965545 1019303219 /nfs/dbraw/zinc/30/32/19/1019303219.db2.gz XHUZHHMVECZVEE-UHFFFAOYSA-N -1 0 312.311 -0.712 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)c2ccco2)nc1 ZINC001608975962 1019304392 /nfs/dbraw/zinc/30/43/92/1019304392.db2.gz DCKQUYYBOREDNC-VIFPVBQESA-N -1 0 306.278 -0.029 20 0 DBADRM O=C([O-])c1cnc(NC/C=C\CNC(=O)[C@H]2COCCO2)nc1 ZINC001608977628 1019304617 /nfs/dbraw/zinc/30/46/17/1019304617.db2.gz SPMJNBMZIBVYJV-RFMOXSJOSA-N -1 0 322.321 -0.326 20 0 DBADRM O=C([O-])c1cnc(N2C[C@@H](NC(=O)C3CC=CC3)[C@@H](O)C2)nc1 ZINC001608975605 1019305768 /nfs/dbraw/zinc/30/57/68/1019305768.db2.gz GGPSNKROCZSVFQ-NEPJUHHUSA-N -1 0 318.333 -0.193 20 0 DBADRM O=C([O-])c1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)nc1 ZINC001608978839 1019305821 /nfs/dbraw/zinc/30/58/21/1019305821.db2.gz VEKAGUORSBETSL-OPRDCNLKSA-N -1 0 319.321 -0.630 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)[C@H]3COCCO3)CC2)nc1 ZINC001608975328 1019306350 /nfs/dbraw/zinc/30/63/50/1019306350.db2.gz OSHDOSBJTHEPRQ-LLVKDONJSA-N -1 0 322.321 -0.761 20 0 DBADRM O=C([O-])c1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)n1 ZINC001608998585 1019307744 /nfs/dbraw/zinc/30/77/44/1019307744.db2.gz UJBHCCSZUKIGQL-BBBLOLIVSA-N -1 0 322.321 -0.981 20 0 DBADRM O=C([O-])c1csc(S(=O)(=O)NCCN2CCNC2=O)c1 ZINC001608993833 1019307763 /nfs/dbraw/zinc/30/77/63/1019307763.db2.gz ZXUYWQYEFDPEML-UHFFFAOYSA-N -1 0 319.364 -0.250 20 0 DBADRM O=C([O-])c1nccc(NCc2cn(C3CC3)c(=O)[nH]c2=O)n1 ZINC001608999659 1019308236 /nfs/dbraw/zinc/30/82/36/1019308236.db2.gz LPVNAHUNXVESNS-UHFFFAOYSA-N -1 0 303.278 -0.194 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)n1 ZINC001608999455 1019308697 /nfs/dbraw/zinc/30/86/97/1019308697.db2.gz ZRYHCPPCNQTWAP-JTQLQIEISA-N -1 0 316.321 -0.425 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)[C@H]3CCOC3)C2)n1 ZINC001608997496 1019308847 /nfs/dbraw/zinc/30/88/47/1019308847.db2.gz CRJOVNGTYRXFKH-UWVGGRQHSA-N -1 0 306.322 -0.094 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C3CCOCC3)C2=O)n1 ZINC001608998888 1019308873 /nfs/dbraw/zinc/30/88/73/1019308873.db2.gz GZCTWZCFCYWIJK-SNVBAGLBSA-N -1 0 306.322 -0.212 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)[C@@H]3CCOC3)C2)n1 ZINC001608997498 1019309377 /nfs/dbraw/zinc/30/93/77/1019309377.db2.gz CRJOVNGTYRXFKH-ZJUUUORDSA-N -1 0 306.322 -0.094 20 0 DBADRM O=C([O-])c1nccc(N2CCN(S(=O)(=O)C3CC3)CC2)n1 ZINC001608998532 1019309459 /nfs/dbraw/zinc/30/94/59/1019309459.db2.gz RPOHKFKOUCRWBX-UHFFFAOYSA-N -1 0 312.351 -0.211 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CC[C@H](O)[C@@H](F)C1 ZINC001609003324 1019311144 /nfs/dbraw/zinc/31/11/44/1019311144.db2.gz HMPVPIYYCAXETM-WDSKDSINSA-N -1 0 310.328 -0.065 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2ccc3c(=O)[nH]cnc3c2)C1 ZINC001609028651 1019314518 /nfs/dbraw/zinc/31/45/18/1019314518.db2.gz CTMOLSJMVHNYGW-AWEZNQCLSA-N -1 0 303.274 -0.003 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC001609028134 1019314606 /nfs/dbraw/zinc/31/46/06/1019314606.db2.gz GMCCLGQRBZIZOC-OAHLLOKOSA-N -1 0 319.317 -0.122 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)[C@H]3CCC(=O)C3)CC2)CCOC1 ZINC001609034565 1019315293 /nfs/dbraw/zinc/31/52/93/1019315293.db2.gz WLFBIJGZINJDHD-XHDPSFHLSA-N -1 0 310.350 -0.257 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2cc3n(n2)CCCC3=O)C1 ZINC001609038579 1019315927 /nfs/dbraw/zinc/31/59/27/1019315927.db2.gz LEDCENNBOCGWPK-RKDXNWHRSA-N -1 0 307.306 -0.233 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCC[C@H]2CNC(=O)C2)c1=O ZINC001609036358 1019316433 /nfs/dbraw/zinc/31/64/33/1019316433.db2.gz SXNHPHRPRGBHMH-SECBINFHSA-N -1 0 307.306 -0.811 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCCN2CCCC2=O)CCC1 ZINC001609038097 1019316762 /nfs/dbraw/zinc/31/67/62/1019316762.db2.gz PMKFSCJFKIUGOS-UHFFFAOYSA-N -1 0 304.368 -0.217 20 0 DBADRM O=C([O-])c1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CNC(=O)C1 ZINC001609035088 1019316828 /nfs/dbraw/zinc/31/68/28/1019316828.db2.gz LOHHXEGFRVTLCS-ZETCQYMHSA-N -1 0 309.253 -0.533 20 0 DBADRM O=C([O-])c1c(F)cccc1NC(=O)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001609039913 1019316944 /nfs/dbraw/zinc/31/69/44/1019316944.db2.gz MDQOQUSNOUPZCS-ZETCQYMHSA-N -1 0 323.280 -0.143 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCN3C(=O)CC[C@@H]3C2)CCC1 ZINC001609037262 1019317031 /nfs/dbraw/zinc/31/70/31/1019317031.db2.gz QUKKJXNZQHXEGM-SNVBAGLBSA-N -1 0 316.379 -0.122 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC001609043441 1019318110 /nfs/dbraw/zinc/31/81/10/1019318110.db2.gz GLRZUJCZDSSNBJ-NTSWFWBYSA-N -1 0 310.228 -0.899 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)CC[C@@H]1NC(=O)NC1=O)CC2 ZINC001609043911 1019318421 /nfs/dbraw/zinc/31/84/21/1019318421.db2.gz IAHIGIQLFIMSIO-QIBSRJKCSA-N -1 0 309.322 -0.170 20 0 DBADRM O=C([O-])[C@H](CCF)NC(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001609041922 1019319662 /nfs/dbraw/zinc/31/96/62/1019319662.db2.gz YEFWPFVYZFDJMQ-VIFPVBQESA-N -1 0 323.280 -0.089 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H]2CCCC[C@@H]21 ZINC001609041187 1019319774 /nfs/dbraw/zinc/31/97/74/1019319774.db2.gz SCUALSARALRSPT-FRRDWIJNSA-N -1 0 323.393 -0.090 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)[C@@H]3CSC(=O)N3)C2)nn1 ZINC001609043345 1019319999 /nfs/dbraw/zinc/31/99/99/1019319999.db2.gz CCQDMRHYDZAJPS-XPUUQOCRSA-N -1 0 311.323 -0.425 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1CC(=O)N1CC(=O)Nc2ccccc21 ZINC001609040616 1019320083 /nfs/dbraw/zinc/32/00/83/1019320083.db2.gz QJWWBPRLLQIRGI-BXKDBHETSA-N -1 0 319.317 -0.509 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1)NCC(=O)N1CCNC(=O)C1 ZINC001609040550 1019320224 /nfs/dbraw/zinc/32/02/24/1019320224.db2.gz NRFZWGRLVVISEF-GFCCVEGCSA-N -1 0 305.334 -0.770 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCN3C(=O)OCC[C@@H]3C2)C1 ZINC001609047118 1019320972 /nfs/dbraw/zinc/32/09/72/1019320972.db2.gz MBVHFOAIQWCYPS-BBBLOLIVSA-N -1 0 318.351 -0.294 20 0 DBADRM O=C([O-])c1nc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cs1 ZINC001609044202 1019321191 /nfs/dbraw/zinc/32/11/91/1019321191.db2.gz MJHSCVATKZTHGP-UHFFFAOYSA-N -1 0 324.318 -0.345 20 0 DBADRM O=C([O-])c1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)c(F)c1 ZINC001609045438 1019321351 /nfs/dbraw/zinc/32/13/51/1019321351.db2.gz WPDCPGOKQZYUIE-NSHDSACASA-N -1 0 321.308 -0.334 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2Cc3cnccc3NC2=O)O1 ZINC001609046258 1019321918 /nfs/dbraw/zinc/32/19/18/1019321918.db2.gz HKUQVQRCLABOQQ-AXFHLTTASA-N -1 0 305.290 -0.307 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001609044900 1019322953 /nfs/dbraw/zinc/32/29/53/1019322953.db2.gz BKKNTKNSVBWUGK-RKDXNWHRSA-N -1 0 322.317 -0.137 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCc3n[nH]c(=O)cc3C2)C1 ZINC001609050184 1019325240 /nfs/dbraw/zinc/32/52/40/1019325240.db2.gz QTSOCOMSMTWHEB-OTSSQURYSA-N -1 0 313.335 -0.267 20 0 DBADRM C[C@@H](C(=O)N1CCOC[C@@H]1C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609067869 1019328330 /nfs/dbraw/zinc/32/83/30/1019328330.db2.gz AJIZLBHYVPOYGA-WCBMZHEXSA-N -1 0 318.341 -0.343 20 0 DBADRM C[C@H](C(=O)NCc1ncccc1F)n1cnc(-c2nnn[n-]2)n1 ZINC001609069556 1019329272 /nfs/dbraw/zinc/32/92/72/1019329272.db2.gz BGBRUPABKLWCOX-SSDOTTSWSA-N -1 0 317.288 -0.130 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCC[C@@H](O)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001609070554 1019331208 /nfs/dbraw/zinc/33/12/08/1019331208.db2.gz NTMBBLMKUGSDAF-KXUCPTDWSA-N -1 0 320.357 -0.314 20 0 DBADRM C[C@@H](C(=O)NCCCn1cccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001609070516 1019331463 /nfs/dbraw/zinc/33/14/63/1019331463.db2.gz NMLNYBABBCMJEO-VIFPVBQESA-N -1 0 316.329 -0.578 20 0 DBADRM C[C@H](C(=O)NCCn1cnc(-c2nnn[n-]2)n1)c1ccco1 ZINC001609071032 1019331879 /nfs/dbraw/zinc/33/18/79/1019331879.db2.gz ULRKMGNZVKZNBC-QMMMGPOBSA-N -1 0 302.298 -0.029 20 0 DBADRM C[C@@H](C(=O)OCc1cnns1)n1cnc(-c2nnn[n-]2)n1 ZINC001609072658 1019333116 /nfs/dbraw/zinc/33/31/16/1019333116.db2.gz ZKTGXXJMHXWNKQ-YFKPBYRVSA-N -1 0 307.299 -0.386 20 0 DBADRM CC(C)CCOCCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001609094682 1019337131 /nfs/dbraw/zinc/33/71/31/1019337131.db2.gz QKGLHVKYGFMBGZ-UHFFFAOYSA-N -1 0 308.346 -0.363 20 0 DBADRM CC(C)NC(=O)CN(C)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609099827 1019337969 /nfs/dbraw/zinc/33/79/69/1019337969.db2.gz AOTDUAVLOOWSPB-QMMMGPOBSA-N -1 0 321.345 -0.998 20 0 DBADRM CC(C)[C@](C)(O)CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609086403 1019341095 /nfs/dbraw/zinc/34/10/95/1019341095.db2.gz DZFYMKILWXVFDH-GFCCVEGCSA-N -1 0 323.361 -0.836 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609116233 1019346051 /nfs/dbraw/zinc/34/60/51/1019346051.db2.gz DNDNCSBVBYQQAW-RKDXNWHRSA-N -1 0 316.329 -0.579 20 0 DBADRM C[C@H](O)C[C@H](C)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609128288 1019348911 /nfs/dbraw/zinc/34/89/11/1019348911.db2.gz KDNBBCLZEMQKSP-CIUDSAMLSA-N -1 0 308.346 -0.458 20 0 DBADRM C[C@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)C(C)(C)O ZINC001609125839 1019353105 /nfs/dbraw/zinc/35/31/05/1019353105.db2.gz SKQUSQSPRGCOFO-ZETCQYMHSA-N -1 0 312.355 -0.301 20 0 DBADRM C[C@H](O)CN(C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)[C@@H](C)CO ZINC001609128999 1019353173 /nfs/dbraw/zinc/35/31/73/1019353173.db2.gz KMIVXPLWMNJPCC-IUCAKERBSA-N -1 0 321.337 -0.224 20 0 DBADRM C[C@H]1C[C@@H](C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001609155814 1019354728 /nfs/dbraw/zinc/35/47/28/1019354728.db2.gz UQTRITHLLJBBOA-IUCAKERBSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001609156940 1019360542 /nfs/dbraw/zinc/36/05/42/1019360542.db2.gz FZLXGSSURHFBJJ-SFYZADRCSA-N -1 0 310.339 -0.595 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C[C@@H](CO)O1 ZINC001609171724 1019362412 /nfs/dbraw/zinc/36/24/12/1019362412.db2.gz KLENWPNXNJDZTE-SCZZXKLOSA-N -1 0 319.321 -0.206 20 0 DBADRM C[C@@H]1[C@H](C)CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@H]1C ZINC001609175392 1019366208 /nfs/dbraw/zinc/36/62/08/1019366208.db2.gz PIVBEEAWCJAGAG-HLTSFMKQSA-N -1 0 319.369 -0.255 20 0 DBADRM CC[C@@H]1CN(C)CCN1C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609201624 1019370468 /nfs/dbraw/zinc/37/04/68/1019370468.db2.gz MJUXRDMBTIIZNM-NXEZZACHSA-N -1 0 319.373 -0.428 20 0 DBADRM CCN(C)C(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609220947 1019374260 /nfs/dbraw/zinc/37/42/60/1019374260.db2.gz WIOIBBBMLNTAKS-UHFFFAOYSA-N -1 0 314.327 -0.784 20 0 DBADRM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C[C@@H]1O ZINC001609202861 1019377903 /nfs/dbraw/zinc/37/79/03/1019377903.db2.gz QWENPSKQQFVFPZ-YUMQZZPRSA-N -1 0 313.339 -0.149 20 0 DBADRM CCOC[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(C)C ZINC001609239524 1019382593 /nfs/dbraw/zinc/38/25/93/1019382593.db2.gz MURLJLGFHPAMSZ-SECBINFHSA-N -1 0 308.346 -0.365 20 0 DBADRM CCOC(CCNC(=O)Cn1cnc(-c2nnn[n-]2)n1)OCC ZINC001609236712 1019386707 /nfs/dbraw/zinc/38/67/07/1019386707.db2.gz ASADIWVQNCAMNY-UHFFFAOYSA-N -1 0 324.345 -0.636 20 0 DBADRM CCn1cnnc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609258555 1019388618 /nfs/dbraw/zinc/38/86/18/1019388618.db2.gz LZHDLVCMPZYSRR-UHFFFAOYSA-N -1 0 324.326 -0.450 20 0 DBADRM CCc1cc(NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)no1 ZINC001609251352 1019389895 /nfs/dbraw/zinc/38/98/95/1019389895.db2.gz JUBKHDGSFGQAOI-UHFFFAOYSA-N -1 0 318.301 -0.170 20 0 DBADRM CCOCCCCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609240714 1019390259 /nfs/dbraw/zinc/39/02/59/1019390259.db2.gz ZLWMXTPTASWDGI-VIFPVBQESA-N -1 0 308.346 -0.048 20 0 DBADRM CCO[N-]C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1OC ZINC001609241713 1019391348 /nfs/dbraw/zinc/39/13/48/1019391348.db2.gz PNIPSUJHNHLIMF-UHFFFAOYSA-N -1 0 306.282 -0.119 20 0 DBADRM CCO[N-]C(=O)C(=O)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC001609241603 1019392519 /nfs/dbraw/zinc/39/25/19/1019392519.db2.gz IMCOCJGVOMAQDZ-UHFFFAOYSA-N -1 0 302.294 -0.177 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC001609274561 1019395356 /nfs/dbraw/zinc/39/53/56/1019395356.db2.gz UWSXVAZXPIZLAR-UHFFFAOYSA-N -1 0 311.323 -0.038 20 0 DBADRM CN(C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)[C@@H]1CCN(C)C1=O ZINC001609284020 1019406721 /nfs/dbraw/zinc/40/67/21/1019406721.db2.gz ZIHBJZBJUSHOON-SNVBAGLBSA-N -1 0 316.321 -0.125 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CC[S@](C)=O)c1 ZINC001609302155 1019417645 /nfs/dbraw/zinc/41/76/45/1019417645.db2.gz WICMOVIQKBBJEM-NRFANRHFSA-N -1 0 311.323 -0.807 20 0 DBADRM CO[C@H](C)CS(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1 ZINC001609309347 1019418040 /nfs/dbraw/zinc/41/80/40/1019418040.db2.gz ZUHLDIYKOSPWME-ZCFIWIBFSA-N -1 0 301.332 -0.623 20 0 DBADRM COCCC(=O)COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609321407 1019424902 /nfs/dbraw/zinc/42/49/02/1019424902.db2.gz ZGGGOFQXODUQKT-SSDOTTSWSA-N -1 0 309.286 -0.832 20 0 DBADRM COC[C@H](O)CCNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609318212 1019425035 /nfs/dbraw/zinc/42/50/35/1019425035.db2.gz VCOUEPXSWFMLSX-SECBINFHSA-N -1 0 307.310 -0.301 20 0 DBADRM COC[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)OC ZINC001609317831 1019427114 /nfs/dbraw/zinc/42/71/14/1019427114.db2.gz QMVWVCIMGCAUNG-VIFPVBQESA-N -1 0 307.310 -0.037 20 0 DBADRM COCC1(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCC1 ZINC001609318822 1019431851 /nfs/dbraw/zinc/43/18/51/1019431851.db2.gz PVDPBJYQJHKBGN-UHFFFAOYSA-N -1 0 306.330 -0.609 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1C ZINC001609327876 1019435694 /nfs/dbraw/zinc/43/56/94/1019435694.db2.gz LTZRHNCLFBDGBB-UHFFFAOYSA-N -1 0 320.309 -0.192 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)CC(C)(C)O)c1[O-] ZINC001505692621 1019440521 /nfs/dbraw/zinc/44/05/21/1019440521.db2.gz JSYZIDVBDYVERM-SECBINFHSA-N -1 0 310.354 -0.085 20 0 DBADRM CC(C)(C)OC(=O)[C@@]1(C(=O)[N-]OC(C)(C)CO)CNCCO1 ZINC001575149014 1019442164 /nfs/dbraw/zinc/44/21/64/1019442164.db2.gz LFMZEPGLOWETAH-AWEZNQCLSA-N -1 0 318.370 -0.495 20 0 DBADRM Cc1cc(-c2nn[nH]n2)cnc1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC001609391269 1019449658 /nfs/dbraw/zinc/44/96/58/1019449658.db2.gz BSKYIJPCJAIJOB-UHFFFAOYSA-N -1 0 302.254 -0.249 20 0 DBADRM Cc1cc(CC(=O)NCCn2cnc(-c3nnn[n-]3)n2)no1 ZINC001609399882 1019449986 /nfs/dbraw/zinc/44/99/86/1019449986.db2.gz RYLWWECGNCCQLK-UHFFFAOYSA-N -1 0 303.286 -0.886 20 0 DBADRM Cc1cccc(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC001609431426 1019458396 /nfs/dbraw/zinc/45/83/96/1019458396.db2.gz GCKNSXHAIPYVIW-UHFFFAOYSA-N -1 0 313.325 -0.479 20 0 DBADRM Cc1ccc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)nc1C ZINC001609419102 1019459750 /nfs/dbraw/zinc/45/97/50/1019459750.db2.gz MCZSRIWYSRLIEU-UHFFFAOYSA-N -1 0 313.325 -0.100 20 0 DBADRM Cc1nsc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001609464981 1019461289 /nfs/dbraw/zinc/46/12/89/1019461289.db2.gz JZEKTKGTUXQALI-SCSAIBSYSA-N -1 0 306.315 -0.182 20 0 DBADRM Cc1nc(C)c(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)o1 ZINC001609449032 1019467913 /nfs/dbraw/zinc/46/79/13/1019467913.db2.gz JKTXTRYOYFTGSZ-UHFFFAOYSA-N -1 0 303.286 -0.507 20 0 DBADRM Cn1c(Cn2cnc(-c3nnn[n-]3)n2)nc2ccccc2c1=O ZINC001609476445 1019471917 /nfs/dbraw/zinc/47/19/17/1019471917.db2.gz DAQNTOLYGUJELC-UHFFFAOYSA-N -1 0 309.293 -0.247 20 0 DBADRM Cc1onc(CC(=O)[N-]OC[C@H]2CCOC2)c1-c1nn[nH]n1 ZINC001609471227 1019473028 /nfs/dbraw/zinc/47/30/28/1019473028.db2.gz BPFBAUUSNZXTMP-QMMMGPOBSA-N -1 0 308.298 -0.210 20 0 DBADRM Cn1cnnc1CCNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609481202 1019481833 /nfs/dbraw/zinc/48/18/33/1019481833.db2.gz CLJMATXYGCANCO-UHFFFAOYSA-N -1 0 314.309 -0.327 20 0 DBADRM C/C(=C/CN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O)C(=O)[O-] ZINC001609497942 1019489570 /nfs/dbraw/zinc/48/95/70/1019489570.db2.gz POUHSHGNIZAEPY-LSFDQVSLSA-N -1 0 304.324 -0.628 20 0 DBADRM O=C(CCc1ccccn1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609524984 1019495444 /nfs/dbraw/zinc/49/54/44/1019495444.db2.gz DNKWZEOBZLBMPL-UHFFFAOYSA-N -1 0 313.325 -0.398 20 0 DBADRM O=C(CCc1[nH]c(O)nc1O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001609521663 1019496112 /nfs/dbraw/zinc/49/61/12/1019496112.db2.gz FHNFRGCOJXICNV-VIFPVBQESA-N -1 0 315.293 -0.207 20 0 DBADRM O=C(CCC1CCOCC1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609521664 1019497258 /nfs/dbraw/zinc/49/72/58/1019497258.db2.gz FKESODKIXYTNLK-UHFFFAOYSA-N -1 0 320.357 -0.219 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cccc2c[nH]nc21 ZINC001609552370 1019509106 /nfs/dbraw/zinc/50/91/06/1019509106.db2.gz HPVFQVDLELYLQH-UHFFFAOYSA-N -1 0 324.308 -0.236 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CCSCC1 ZINC001609551874 1019510825 /nfs/dbraw/zinc/51/08/25/1019510825.db2.gz OETVQWZDVJQITG-UHFFFAOYSA-N -1 0 309.359 -0.783 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)C(=O)c1ccccc1 ZINC001609551862 1019512583 /nfs/dbraw/zinc/51/25/83/1019512583.db2.gz NWXYHAXMQZMPEG-UHFFFAOYSA-N -1 0 312.293 -0.543 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1CCCS1 ZINC001609551843 1019512949 /nfs/dbraw/zinc/51/29/49/1019512949.db2.gz NJPQYYRTBWUVRX-QMMMGPOBSA-N -1 0 323.386 -0.347 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCSC1 ZINC001609551943 1019513290 /nfs/dbraw/zinc/51/32/90/1019513290.db2.gz QQZLYJSYARDKPZ-SSDOTTSWSA-N -1 0 309.359 -0.737 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccc2n[nH]cc2c1 ZINC001609551988 1019514166 /nfs/dbraw/zinc/51/41/66/1019514166.db2.gz SVOPLDXCPZPJLE-UHFFFAOYSA-N -1 0 324.308 -0.236 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cc(O)cc(-c2nn[nH]n2)c1 ZINC001609551522 1019515673 /nfs/dbraw/zinc/51/56/73/1019515673.db2.gz QBFZVZFCSIUUKT-UHFFFAOYSA-N -1 0 317.265 -0.779 20 0 DBADRM O=C([O-])C1(CNc2cc(-c3nn[nH]n3)ncn2)CCOCC1 ZINC001609571659 1019519052 /nfs/dbraw/zinc/51/90/52/1019519052.db2.gz PSCANARMFMSGJY-UHFFFAOYSA-N -1 0 305.298 -0.050 20 0 DBADRM O=S(=O)(NCCCn1ccnn1)c1ccc(-c2nnn[n-]2)o1 ZINC001609595135 1019524614 /nfs/dbraw/zinc/52/46/14/1019524614.db2.gz YPEVDANAOSCAFN-UHFFFAOYSA-N -1 0 324.326 -0.580 20 0 DBADRM O=c1nc(CNS(=O)(=O)c2ccccc2-c2nn[nH]n2)[n-]o1 ZINC001609605138 1019529916 /nfs/dbraw/zinc/52/99/16/1019529916.db2.gz KOTAHTIVOKVSQF-UHFFFAOYSA-N -1 0 323.294 -0.979 20 0 DBADRM CC(C)CC(=O)N1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001505819463 1019531144 /nfs/dbraw/zinc/53/11/44/1019531144.db2.gz RTCINQZGNXLSIZ-VIFPVBQESA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)NCCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001609621781 1019534422 /nfs/dbraw/zinc/53/44/22/1019534422.db2.gz BHDPHEAXXOXRDS-UHFFFAOYSA-N -1 0 323.305 -0.659 20 0 DBADRM CC(=O)NCc1ccc(NC(=O)C(=O)NC2(C(=O)[O-])CC2)cc1 ZINC001609622461 1019534445 /nfs/dbraw/zinc/53/44/45/1019534445.db2.gz YHEWBBPPWOXIFB-UHFFFAOYSA-N -1 0 319.317 -0.005 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)CCc1c(C)noc1C)C(=O)[O-] ZINC001609622485 1019534460 /nfs/dbraw/zinc/53/44/60/1019534460.db2.gz ZNJGJDVOCYGESY-NSHDSACASA-N -1 0 318.351 -0.162 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])n2C)CCO1 ZINC001609621661 1019535916 /nfs/dbraw/zinc/53/59/16/1019535916.db2.gz UDOBBQQFWVUBCN-SNVBAGLBSA-N -1 0 309.322 -0.300 20 0 DBADRM C[C@@H](C(=O)N[C@]1(CC(=O)[O-])CCCOC1)N1CCN(C)CC1 ZINC001609634787 1019537425 /nfs/dbraw/zinc/53/74/25/1019537425.db2.gz NBOXLOXWAVDZAG-WFASDCNBSA-N -1 0 313.398 -0.238 20 0 DBADRM C[C@@H](C(=O)N1CCSC[C@@H](C(=O)[O-])C1)N1C(=O)CCC1=O ZINC001609633487 1019537681 /nfs/dbraw/zinc/53/76/81/1019537681.db2.gz DMWIDLVBUIAHFA-IUCAKERBSA-N -1 0 314.363 -0.200 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)Nc1c[nH]nc1C(=O)[O-])n1cccn1 ZINC001609631552 1019538683 /nfs/dbraw/zinc/53/86/83/1019538683.db2.gz HVPJVZSYTUDREJ-MRVPVSSYSA-N -1 0 320.309 -0.038 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N[C@@H](CF)C(=O)[O-])n1cccn1 ZINC001609631624 1019539410 /nfs/dbraw/zinc/53/94/10/1019539410.db2.gz KQTPNMWNUVXAKV-BDAKNGLRSA-N -1 0 300.290 -0.559 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001609626612 1019539868 /nfs/dbraw/zinc/53/98/68/1019539868.db2.gz LSLYZDXYZGRYJP-SNVBAGLBSA-N -1 0 309.340 -0.555 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N[C@H](CF)C(=O)[O-])n1cccn1 ZINC001609631627 1019540240 /nfs/dbraw/zinc/54/02/40/1019540240.db2.gz KQTPNMWNUVXAKV-RKDXNWHRSA-N -1 0 300.290 -0.559 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001609635277 1019540328 /nfs/dbraw/zinc/54/03/28/1019540328.db2.gz ULWZQWSKUZEHCP-VHSXEESVSA-N -1 0 306.384 -0.525 20 0 DBADRM C[C@H]([C@H](C)N1CCOCC1)N1C(=O)N[C@H](CCC(=O)[O-])C1=O ZINC001609646766 1019542572 /nfs/dbraw/zinc/54/25/72/1019542572.db2.gz CEBXNUOPMFJYRI-HBNTYKKESA-N -1 0 313.354 -0.119 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001609659554 1019543975 /nfs/dbraw/zinc/54/39/75/1019543975.db2.gz XOMKSSOXUBNWDZ-UWVGGRQHSA-N -1 0 316.354 -0.788 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)CCC(=O)[O-] ZINC001609654023 1019544689 /nfs/dbraw/zinc/54/46/89/1019544689.db2.gz FCYDJSLXPGWVDV-JTQLQIEISA-N -1 0 323.367 -0.073 20 0 DBADRM CC(C)(C(=O)OCC(=O)NCCC(=O)[O-])S(=O)(=O)C1CC1 ZINC001609651925 1019545541 /nfs/dbraw/zinc/54/55/41/1019545541.db2.gz FTAKVPGJZAEVHN-UHFFFAOYSA-N -1 0 321.351 -0.524 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@H](C)C(=O)[O-])CC1 ZINC001609663149 1019545060 /nfs/dbraw/zinc/54/50/60/1019545060.db2.gz WPKVWHJTDCFGNB-BDAKNGLRSA-N -1 0 300.311 -0.671 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])C1 ZINC001609658844 1019545788 /nfs/dbraw/zinc/54/57/88/1019545788.db2.gz PWQSGIHTAQJIJH-OQPBUACISA-N -1 0 316.310 -0.575 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])C1 ZINC001609658843 1019545910 /nfs/dbraw/zinc/54/59/10/1019545910.db2.gz PWQSGIHTAQJIJH-ISVAXAHUSA-N -1 0 316.310 -0.575 20 0 DBADRM CC(C)(CS(=O)(=O)NCc1nnnn1CC1CC1)C(=O)[O-] ZINC001609677906 1019546580 /nfs/dbraw/zinc/54/65/80/1019546580.db2.gz JPQWTJBYQICDAK-UHFFFAOYSA-N -1 0 317.371 -0.387 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCO[C@@H]([C@H](C)O)C1)C(=O)[O-] ZINC001609694064 1019552260 /nfs/dbraw/zinc/55/22/60/1019552260.db2.gz MXOMQQNVJMROOJ-SDDRHHMPSA-N -1 0 302.371 -0.317 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)[C@H]1CCC(=O)NC1)C(=O)[O-] ZINC001609693769 1019547263 /nfs/dbraw/zinc/54/72/63/1019547263.db2.gz BTHBINVUUMIGHF-VHSXEESVSA-N -1 0 314.338 -0.329 20 0 DBADRM CC(C)(NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@H](O)C(=O)[O-] ZINC001609681291 1019547468 /nfs/dbraw/zinc/54/74/68/1019547468.db2.gz YWGLBDWZPFEOTG-SECBINFHSA-N -1 0 316.335 -0.712 20 0 DBADRM CC(C)(O)CC(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001609681443 1019548546 /nfs/dbraw/zinc/54/85/46/1019548546.db2.gz LFGSKZCHAGJFML-UHFFFAOYSA-N -1 0 307.368 -0.314 20 0 DBADRM CC(C)CN(CC(=O)[O-])Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC001609697655 1019549624 /nfs/dbraw/zinc/54/96/24/1019549624.db2.gz YKRUNDLYWXRYLH-UHFFFAOYSA-N -1 0 323.353 -0.497 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001609697976 1019550194 /nfs/dbraw/zinc/55/01/94/1019550194.db2.gz CVVUJEUCEKSXJN-GARJFASQSA-N -1 0 319.379 -0.098 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC001609710438 1019550385 /nfs/dbraw/zinc/55/03/85/1019550385.db2.gz UPOXXNJSAOQERK-ZJUUUORDSA-N -1 0 324.399 -0.397 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])n1ccnc1 ZINC001609696282 1019550498 /nfs/dbraw/zinc/55/04/98/1019550498.db2.gz IXWVPUOGGQWVEB-BDAKNGLRSA-N -1 0 301.324 -0.846 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])n1ccnc1 ZINC001609696285 1019550814 /nfs/dbraw/zinc/55/08/14/1019550814.db2.gz IXWVPUOGGQWVEB-RKDXNWHRSA-N -1 0 301.324 -0.846 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001609707500 1019551028 /nfs/dbraw/zinc/55/10/28/1019551028.db2.gz HYZVSAFQGJGPTD-UHFFFAOYSA-N -1 0 304.368 -0.315 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001609697977 1019551071 /nfs/dbraw/zinc/55/10/71/1019551071.db2.gz CVVUJEUCEKSXJN-HBNTYKKESA-N -1 0 319.379 -0.098 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1=O ZINC001609706156 1019551145 /nfs/dbraw/zinc/55/11/45/1019551145.db2.gz WYHARAZORJEMKC-DCAQKATOSA-N -1 0 313.354 -0.527 20 0 DBADRM CC(C)N(C[C@@H](O)CO)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001609704715 1019551640 /nfs/dbraw/zinc/55/16/40/1019551640.db2.gz SFUKNCMJMNHVBR-GFCCVEGCSA-N -1 0 324.333 -0.087 20 0 DBADRM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N(C)CCC(=O)[O-] ZINC001609696384 1019552348 /nfs/dbraw/zinc/55/23/48/1019552348.db2.gz WCCHLAFFNZMVLF-SECBINFHSA-N -1 0 315.370 -0.319 20 0 DBADRM CC(C)n1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001609724323 1019553562 /nfs/dbraw/zinc/55/35/62/1019553562.db2.gz IPONPGLJCLVKIV-UWVGGRQHSA-N -1 0 324.337 -0.304 20 0 DBADRM CC(C)S(=O)(=O)CCCOC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001609714967 1019554311 /nfs/dbraw/zinc/55/43/11/1019554311.db2.gz HIRXRCRLFKJJBQ-UHFFFAOYSA-N -1 0 319.339 -0.267 20 0 DBADRM CC(C)[C@H](NC(=O)CSc1nnc(CO)n1C)C(=O)[O-] ZINC001609717094 1019554530 /nfs/dbraw/zinc/55/45/30/1019554530.db2.gz IJDGFMBWFNXJRK-VIFPVBQESA-N -1 0 302.356 -0.375 20 0 DBADRM C[C@H](CC(N)=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001609737321 1019555097 /nfs/dbraw/zinc/55/50/97/1019555097.db2.gz SLTDMJIARUZENH-MRVPVSSYSA-N -1 0 307.306 -0.049 20 0 DBADRM CC(C)n1nccc1NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001609725156 1019555522 /nfs/dbraw/zinc/55/55/22/1019555522.db2.gz MWPAZUIVIALYFI-VHSXEESVSA-N -1 0 324.337 -0.304 20 0 DBADRM C[C@H](Cc1cnn(C)c1)NC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001609750249 1019557864 /nfs/dbraw/zinc/55/78/64/1019557864.db2.gz OGHIBKUFQMHNGD-JLLWLGSASA-N -1 0 310.354 -0.172 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)C(=O)[O-] ZINC001609749706 1019558671 /nfs/dbraw/zinc/55/86/71/1019558671.db2.gz JHXODUNNENPSHW-MXWKQRLJSA-N -1 0 308.400 -0.576 20 0 DBADRM C[C@H](CNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)Cn1cccn1 ZINC001609745637 1019558933 /nfs/dbraw/zinc/55/89/33/1019558933.db2.gz YQBGIVJOSSWWJU-IJLUTSLNSA-N -1 0 310.354 -0.004 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@@H](C)S(=O)(=O)CC1)C(=O)[O-] ZINC001609747226 1019559252 /nfs/dbraw/zinc/55/92/52/1019559252.db2.gz HSBAPIYTQFFUJU-RKDXNWHRSA-N -1 0 313.397 -0.454 20 0 DBADRM CC(C)(C)C(=O)N1CCN(C(=O)C(=O)NCCC(=O)[O-])CC1 ZINC001609743848 1019559344 /nfs/dbraw/zinc/55/93/44/1019559344.db2.gz JMZMORKWQSFPKF-UHFFFAOYSA-N -1 0 313.354 -0.706 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C1CCOCC1 ZINC001609758293 1019560711 /nfs/dbraw/zinc/56/07/11/1019560711.db2.gz PIKJLWVHTDKVCD-QMMMGPOBSA-N -1 0 324.337 -0.012 20 0 DBADRM C[C@@H](NC(=O)COC(=O)C12CC(C(=O)[O-])(C1)C2)C(=O)N(C)C ZINC001609764118 1019562103 /nfs/dbraw/zinc/56/21/03/1019562103.db2.gz PGBYFRBQIDNQHP-UWEQVVMYSA-N -1 0 312.322 -0.623 20 0 DBADRM C[C@@H](NC(=O)CSc1nc(C(=O)[O-])c[nH]1)C(=O)N(C)C ZINC001609763139 1019562459 /nfs/dbraw/zinc/56/24/59/1019562459.db2.gz IFOMTSBEQZOWPJ-ZCFIWIBFSA-N -1 0 300.340 -0.207 20 0 DBADRM C[C@](O)(CNC(=O)NCCn1cc(C(=O)[O-])nn1)c1ccco1 ZINC001609785413 1019565483 /nfs/dbraw/zinc/56/54/83/1019565483.db2.gz XQGYQPQCTNJQPM-ZDUSSCGKSA-N -1 0 323.309 -0.224 20 0 DBADRM C[C@H](OC(=O)c1cc2c(cc1O)OCO2)C(=O)NCC(=O)[O-] ZINC001609795960 1019566940 /nfs/dbraw/zinc/56/69/40/1019566940.db2.gz HFGDRNBGKPRIFE-LURJTMIESA-N -1 0 311.246 -0.133 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCCC(=O)[O-])N1CCOCC1 ZINC001609791188 1019568381 /nfs/dbraw/zinc/56/83/81/1019568381.db2.gz OIBOKEHDTWBBLW-NSHDSACASA-N -1 0 315.370 -0.950 20 0 DBADRM C[C@@H](OC(=O)CNC(=O)c1ccsc1)C(=O)NCC(=O)[O-] ZINC001609794371 1019568546 /nfs/dbraw/zinc/56/85/46/1019568546.db2.gz OBVSMPKKHMLLSJ-SSDOTTSWSA-N -1 0 314.319 -0.390 20 0 DBADRM C[C@H](OC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)C(C)(C)C(=O)[O-] ZINC001609795674 1019568670 /nfs/dbraw/zinc/56/86/70/1019568670.db2.gz PMIHWLQUMVNMKX-ZETCQYMHSA-N -1 0 312.278 -0.440 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001609814709 1019569670 /nfs/dbraw/zinc/56/96/70/1019569670.db2.gz KHPKXAOFKGPGMC-UHFFFAOYSA-N -1 0 320.349 -0.047 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCCCn2ccnn2)C1 ZINC001609812866 1019570126 /nfs/dbraw/zinc/57/01/26/1019570126.db2.gz AYCKGCCTJPJOAR-CQSZACIVSA-N -1 0 323.353 -0.502 20 0 DBADRM C[C@@H](c1ccccc1)[C@@H](NCC(=O)NCCC(=O)[O-])C(N)=O ZINC001609807088 1019570676 /nfs/dbraw/zinc/57/06/76/1019570676.db2.gz FAGPCWUSMQAXIB-IINYFYTJSA-N -1 0 307.350 -0.176 20 0 DBADRM CC1(C)CN(C(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1 ZINC001609816489 1019570717 /nfs/dbraw/zinc/57/07/17/1019570717.db2.gz FRSMIPXXOOVSQI-ZUZCIYMTSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@@]1(C(N)=O)CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001609812472 1019571033 /nfs/dbraw/zinc/57/10/33/1019571033.db2.gz FMOSKNCRXKIIMH-LLVKDONJSA-N -1 0 304.368 -0.232 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001609806437 1019571357 /nfs/dbraw/zinc/57/13/57/1019571357.db2.gz LPZVVGROVVRDBZ-APPZFPTMSA-N -1 0 324.366 -0.029 20 0 DBADRM CC1(C)C(=O)NCCN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001609813675 1019571980 /nfs/dbraw/zinc/57/19/80/1019571980.db2.gz HWYWYPWFMWDEIS-UHFFFAOYSA-N -1 0 313.335 -0.321 20 0 DBADRM CC(C)N(CCS(=O)(=O)CC(=O)[O-])C[C@H]1CCC(=O)N1 ZINC001609817194 1019571988 /nfs/dbraw/zinc/57/19/88/1019571988.db2.gz XDDHGGHWLVZHPV-SNVBAGLBSA-N -1 0 306.384 -0.525 20 0 DBADRM CC1(C)CCN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001609817601 1019573601 /nfs/dbraw/zinc/57/36/01/1019573601.db2.gz BQKDNNXZIDTANR-QWRGUYRKSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@]1(CCC(=O)[O-])NC(=O)N(Cc2ncnn2CCF)C1=O ZINC001609824178 1019573621 /nfs/dbraw/zinc/57/36/21/1019573621.db2.gz YYIHXAQUIFBJFX-LBPRGKRZSA-N -1 0 313.289 -0.077 20 0 DBADRM CC1(C)OCC(NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CO1 ZINC001609819173 1019574107 /nfs/dbraw/zinc/57/41/07/1019574107.db2.gz BXTUMXRNXQAMGZ-WCBMZHEXSA-N -1 0 302.327 -0.385 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001609831733 1019574228 /nfs/dbraw/zinc/57/42/28/1019574228.db2.gz VTXBTTQUGVQWLA-YMTOWFKASA-N -1 0 311.338 -0.654 20 0 DBADRM CC1(C)OCC(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CO1 ZINC001609819164 1019575000 /nfs/dbraw/zinc/57/50/00/1019575000.db2.gz BXTUMXRNXQAMGZ-PSASIEDQSA-N -1 0 302.327 -0.385 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCC[C@H](CCO)C1 ZINC001609835078 1019577008 /nfs/dbraw/zinc/57/70/08/1019577008.db2.gz OPQPVNOEGCVLOK-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CO1 ZINC001609841986 1019577770 /nfs/dbraw/zinc/57/77/70/1019577770.db2.gz ZJCDATIFVWZWQU-BDAKNGLRSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC([C@H](O)C(=O)[O-])CC2)CCO1 ZINC001609863832 1019578761 /nfs/dbraw/zinc/57/87/61/1019578761.db2.gz GHXPWZRHQQDWER-MFKMUULPSA-N -1 0 300.355 -0.609 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-] ZINC001609849294 1019579505 /nfs/dbraw/zinc/57/95/05/1019579505.db2.gz UULQNZYDWATIAG-NSHDSACASA-N -1 0 308.400 -0.263 20 0 DBADRM C[C@H](OC(=O)C(=O)N1CCC(C)CC1)C(=O)NCC(=O)[O-] ZINC001609857661 1019579907 /nfs/dbraw/zinc/57/99/07/1019579907.db2.gz VDPJFBDCEZMZBI-VIFPVBQESA-N -1 0 300.311 -0.623 20 0 DBADRM CC1CCN(C(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CC1 ZINC001609855051 1019580303 /nfs/dbraw/zinc/58/03/03/1019580303.db2.gz KRXUCXMIHJIEBW-LBPRGKRZSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC(=O)N1 ZINC001609863742 1019580359 /nfs/dbraw/zinc/58/03/59/1019580359.db2.gz UFAHITYCMHXUFC-SECBINFHSA-N -1 0 319.317 -0.401 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC[S@@]1=O ZINC001609860536 1019580459 /nfs/dbraw/zinc/58/04/59/1019580459.db2.gz NCTMLXXXUAITSP-LZVRBXCZSA-N -1 0 312.413 -0.519 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C[C@@H]1F ZINC001609855035 1019580517 /nfs/dbraw/zinc/58/05/17/1019580517.db2.gz KLBOMOYGYNIIGV-YTWAJWBKSA-N -1 0 316.329 -0.513 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)[C@H]1C ZINC001609852550 1019580681 /nfs/dbraw/zinc/58/06/81/1019580681.db2.gz PIQZGUSTUSAYRP-WRWGMCAJSA-N -1 0 312.366 -0.073 20 0 DBADRM CCC(CC)NC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001609917643 1019590500 /nfs/dbraw/zinc/59/05/00/1019590500.db2.gz RXXNSISQSUSXJX-LLVKDONJSA-N -1 0 300.355 -0.025 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)Cc2nnnn2C)c1[O-] ZINC001505899776 1019581391 /nfs/dbraw/zinc/58/13/91/1019581391.db2.gz RWVUIJAZZQZYIQ-ZETCQYMHSA-N -1 0 308.346 -0.802 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC001609864582 1019581803 /nfs/dbraw/zinc/58/18/03/1019581803.db2.gz FKLYVQABFAHDTQ-QMMMGPOBSA-N -1 0 322.321 -0.299 20 0 DBADRM Cc1cc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001505902353 1019582019 /nfs/dbraw/zinc/58/20/19/1019582019.db2.gz PIONHQSXJXPSTM-VIFPVBQESA-N -1 0 305.342 -0.141 20 0 DBADRM CC(C)[C@H](C)C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001505901856 1019583061 /nfs/dbraw/zinc/58/30/61/1019583061.db2.gz QYDJRIOMXLWMTD-DTWKUNHWSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001609868695 1019583392 /nfs/dbraw/zinc/58/33/92/1019583392.db2.gz VNBRWVHATSUAOY-LURJTMIESA-N -1 0 319.364 -0.308 20 0 DBADRM C[C@H]1CN(CC(=O)NC2(C(=O)[O-])CCCCC2)C[C@@H](CO)O1 ZINC001609871413 1019584219 /nfs/dbraw/zinc/58/42/19/1019584219.db2.gz VNGUJOGLIJSLCD-RYUDHWBXSA-N -1 0 314.382 -0.028 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)c1ccnn1C ZINC001609872295 1019584355 /nfs/dbraw/zinc/58/43/55/1019584355.db2.gz AIFZBQQVOPIFFQ-JTQLQIEISA-N -1 0 316.383 -0.410 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)N[C@@H](CC(=O)OC)C(=O)[O-])C1 ZINC001609882936 1019587465 /nfs/dbraw/zinc/58/74/65/1019587465.db2.gz KVLLVNYLPIXHPC-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001609882397 1019587501 /nfs/dbraw/zinc/58/75/01/1019587501.db2.gz HPZBIEMCVSRSOL-SECBINFHSA-N -1 0 309.326 -0.649 20 0 DBADRM CC[C@H](C(=O)OC)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001609890597 1019588451 /nfs/dbraw/zinc/58/84/51/1019588451.db2.gz HAFIJSVLJYSAGR-NSHDSACASA-N -1 0 316.354 -0.569 20 0 DBADRM CC[C@H](C)[C@H](C)NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001609899501 1019588752 /nfs/dbraw/zinc/58/87/52/1019588752.db2.gz LYKNLNFHAXSIPP-NAKRPEOUSA-N -1 0 300.355 -0.169 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@H]1COCCO1)C(=O)[O-] ZINC001609899362 1019589718 /nfs/dbraw/zinc/58/97/18/1019589718.db2.gz BTWZEVNEAYSFEP-NGZCFLSTSA-N -1 0 303.311 -0.440 20 0 DBADRM C[C@](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)(C(N)=O)c1ccccc1 ZINC001609914277 1019589965 /nfs/dbraw/zinc/58/99/65/1019589965.db2.gz QNHNHPVATAFGKU-QMTHXVAHSA-N -1 0 305.290 -0.267 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)CN1C[C@H](O)C[C@H]1COC)C(=O)[O-] ZINC001609901079 1019590118 /nfs/dbraw/zinc/59/01/18/1019590118.db2.gz SASYWVSFMVORID-XZUYRWCXSA-N -1 0 302.371 -0.317 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN[C@@H](CO)c1cnn(C)c1)C(=O)[O-] ZINC001609899806 1019590277 /nfs/dbraw/zinc/59/02/77/1019590277.db2.gz MIGITCREPHEYKC-XHVZSJERSA-N -1 0 312.370 -0.341 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC001609891160 1019590792 /nfs/dbraw/zinc/59/07/92/1019590792.db2.gz KLGCMTKRASCRQV-QMMMGPOBSA-N -1 0 303.340 -0.023 20 0 DBADRM C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC001609887571 1019590930 /nfs/dbraw/zinc/59/09/30/1019590930.db2.gz OAIXBSIJRPEAPA-MXWKQRLJSA-N -1 0 300.355 -0.215 20 0 DBADRM CC[C@@H](CO)N1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001609921799 1019592668 /nfs/dbraw/zinc/59/26/68/1019592668.db2.gz BMOJKLSOAQOLLC-NSHDSACASA-N -1 0 322.427 -0.185 20 0 DBADRM CC[C@H](COC)NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001609926376 1019592704 /nfs/dbraw/zinc/59/27/04/1019592704.db2.gz PKLJZZYAZKXQFU-SECBINFHSA-N -1 0 312.326 -0.244 20 0 DBADRM CC[C@@H](CNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001609922800 1019593318 /nfs/dbraw/zinc/59/33/18/1019593318.db2.gz ZUIKETAOMDVBIL-VHSXEESVSA-N -1 0 306.384 -0.668 20 0 DBADRM C[C@@H](O)CN(C(=O)Nc1ccc(-c2nn[nH]n2)cn1)[C@H](C)CO ZINC001575479370 1019593335 /nfs/dbraw/zinc/59/33/35/1019593335.db2.gz AZAWJDJKTSERCL-RKDXNWHRSA-N -1 0 321.341 -0.143 20 0 DBADRM CC[C@H](COC)NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001609926117 1019593846 /nfs/dbraw/zinc/59/38/46/1019593846.db2.gz JXULARQHKJBCBQ-ZJUUUORDSA-N -1 0 302.327 -0.770 20 0 DBADRM Cc1ccc(C(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)nn1 ZINC001505918624 1019594246 /nfs/dbraw/zinc/59/42/46/1019594246.db2.gz OWCOTPHZJYFCNT-SECBINFHSA-N -1 0 305.342 -0.141 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001609973432 1019594972 /nfs/dbraw/zinc/59/49/72/1019594972.db2.gz VXCCVRALVJFQSR-WDEREUQCSA-N -1 0 300.355 -0.071 20 0 DBADRM CCCC[C@H](C(=O)[O-])S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC001609962861 1019595042 /nfs/dbraw/zinc/59/50/42/1019595042.db2.gz OPZSCOLNWBLIBR-DJLDLDEBSA-N -1 0 314.381 -0.798 20 0 DBADRM CCC[C@@H](C)N1C[C@@H](C(=O)OCC(=O)NCC(=O)[O-])CC1=O ZINC001609955732 1019596067 /nfs/dbraw/zinc/59/60/67/1019596067.db2.gz UDTVOWFBYVGLGO-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001609964705 1019596292 /nfs/dbraw/zinc/59/62/92/1019596292.db2.gz PWQMFCWQMQCTNM-SECBINFHSA-N -1 0 324.341 -0.413 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1 ZINC001609973643 1019596505 /nfs/dbraw/zinc/59/65/05/1019596505.db2.gz ZXPAWAKLPTWVFD-TUAOUCFPSA-N -1 0 312.366 -0.071 20 0 DBADRM CCCC[C@H](C(=O)[O-])S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC001609962880 1019596790 /nfs/dbraw/zinc/59/67/90/1019596790.db2.gz OPZSCOLNWBLIBR-YIZRAAEISA-N -1 0 314.381 -0.798 20 0 DBADRM CCCCOCCNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001609970606 1019596906 /nfs/dbraw/zinc/59/69/06/1019596906.db2.gz NHEYQZBJQDVHNC-WDEREUQCSA-N -1 0 316.354 -0.787 20 0 DBADRM CCCc1nnc(SCC(=O)N2CC(C)(C(=O)[O-])C2)n1N ZINC001609984415 1019597386 /nfs/dbraw/zinc/59/73/86/1019597386.db2.gz CCVKUJMUEOTSBC-UHFFFAOYSA-N -1 0 313.383 -0.030 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](CF)C(=O)[O-])C1 ZINC001610047845 1019608150 /nfs/dbraw/zinc/60/81/50/1019608150.db2.gz ARWUQVTZWMTLPS-IUCAKERBSA-N -1 0 310.347 -0.413 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001609989312 1019597500 /nfs/dbraw/zinc/59/75/00/1019597500.db2.gz FFYXXKWMQCTCKA-QMMMGPOBSA-N -1 0 324.337 -0.355 20 0 DBADRM CCN1C[C@H](C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)CC1=O ZINC001610005019 1019597679 /nfs/dbraw/zinc/59/76/79/1019597679.db2.gz WMQDPTAVPPORDB-SKDRFNHKSA-N -1 0 314.338 -0.377 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001609989479 1019598588 /nfs/dbraw/zinc/59/85/88/1019598588.db2.gz ILLYPTWCACNUGW-UHFFFAOYSA-N -1 0 313.354 -0.706 20 0 DBADRM CCN(CC)CC(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001609999362 1019598702 /nfs/dbraw/zinc/59/87/02/1019598702.db2.gz QBVIEHIWMXLZMA-UHFFFAOYSA-N -1 0 320.411 -0.134 20 0 DBADRM C[C@@H](OC(=O)CCC(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001609982842 1019598781 /nfs/dbraw/zinc/59/87/81/1019598781.db2.gz YTXPYVZXEHAKPT-SFYZADRCSA-N -1 0 307.324 -0.914 20 0 DBADRM CCN(OC)C(=O)CNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001610002646 1019599072 /nfs/dbraw/zinc/59/90/72/1019599072.db2.gz HBLRAZGYPOUVHH-UHFFFAOYSA-N -1 0 317.342 -0.423 20 0 DBADRM CCCNC(=O)CN1CCC(NC(=O)COCC(=O)[O-])CC1 ZINC001609980631 1019599813 /nfs/dbraw/zinc/59/98/13/1019599813.db2.gz SPCFUCBUAYRENL-UHFFFAOYSA-N -1 0 315.370 -0.806 20 0 DBADRM CCN1C[C@H](C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1=O ZINC001610005792 1019601795 /nfs/dbraw/zinc/60/17/95/1019601795.db2.gz LTISEOKFEYLGHH-NXEZZACHSA-N -1 0 321.337 -0.382 20 0 DBADRM CCN1C(=O)[C@@H]2CN(c3nccnc3C(=O)[O-])CCN2C1=O ZINC001610006160 1019601874 /nfs/dbraw/zinc/60/18/74/1019601874.db2.gz PYAKFFMVWQUJKI-QMMMGPOBSA-N -1 0 305.294 -0.353 20 0 DBADRM CCOC(=O)C(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001610010687 1019602811 /nfs/dbraw/zinc/60/28/11/1019602811.db2.gz MXWHBIVUPSYTJI-UHFFFAOYSA-N -1 0 324.289 -0.175 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001610017065 1019605269 /nfs/dbraw/zinc/60/52/69/1019605269.db2.gz WZNPOJDRWAHKLA-KOLCDFICSA-N -1 0 323.367 -0.431 20 0 DBADRM CCO[C@H]1C[C@@H]1C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001610027997 1019605621 /nfs/dbraw/zinc/60/56/21/1019605621.db2.gz BEYZLBGPDDIGFO-UWVGGRQHSA-N -1 0 319.379 -0.050 20 0 DBADRM CCOC(=O)C1(C(=O)N[C@@H](COC)C(=O)[O-])CCOCC1 ZINC001610015078 1019605652 /nfs/dbraw/zinc/60/56/52/1019605652.db2.gz OOIUXASBDPSIIS-VIFPVBQESA-N -1 0 303.311 -0.438 20 0 DBADRM C[C@H](c1cccnc1)N(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001610018980 1019605752 /nfs/dbraw/zinc/60/57/52/1019605752.db2.gz QLUPNYUEUVNEOQ-ZYHUDNBSSA-N -1 0 321.333 -0.087 20 0 DBADRM CCOC(=O)[C@H]1CSCCN1CC(=O)NCCC(=O)[O-] ZINC001610014466 1019606208 /nfs/dbraw/zinc/60/62/08/1019606208.db2.gz NJMOGTBVGKSKLT-SECBINFHSA-N -1 0 304.368 -0.442 20 0 DBADRM CCOC(=O)c1cc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])on1 ZINC001610020962 1019606866 /nfs/dbraw/zinc/60/68/66/1019606866.db2.gz AOJCOLGCGJCPEK-JTQLQIEISA-N -1 0 311.294 -0.374 20 0 DBADRM CCSCCCNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001610052222 1019608014 /nfs/dbraw/zinc/60/80/14/1019608014.db2.gz HAJUIJGQYRTLJT-SNVBAGLBSA-N -1 0 318.395 -0.052 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610051143 1019608675 /nfs/dbraw/zinc/60/86/75/1019608675.db2.gz QHDSDAKQPDAIST-QMMMGPOBSA-N -1 0 316.339 -0.816 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](CF)C(=O)[O-])C1 ZINC001610047843 1019609057 /nfs/dbraw/zinc/60/90/57/1019609057.db2.gz ARWUQVTZWMTLPS-BDAKNGLRSA-N -1 0 310.347 -0.413 20 0 DBADRM C[C@@]1(O)CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC001610053939 1019609236 /nfs/dbraw/zinc/60/92/36/1019609236.db2.gz NVCHIYGYOWRHGE-IINYFYTJSA-N -1 0 314.338 -0.938 20 0 DBADRM CCn1cncc1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001610084175 1019610926 /nfs/dbraw/zinc/61/09/26/1019610926.db2.gz OAKCYGKEQUFLHH-UHFFFAOYSA-N -1 0 316.383 -0.316 20 0 DBADRM CCn1ccc(CNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])n1 ZINC001610085487 1019611007 /nfs/dbraw/zinc/61/10/07/1019611007.db2.gz SFBRPUAYPWQVDW-LLVKDONJSA-N -1 0 308.338 -0.015 20 0 DBADRM CCn1c2ccccc2n(CC(=O)N[C@@H](CO)C(=O)[O-])c1=O ZINC001610080859 1019611029 /nfs/dbraw/zinc/61/10/29/1019611029.db2.gz RMIZPBBDXVQROE-VIFPVBQESA-N -1 0 307.306 -0.615 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])no1 ZINC001610059359 1019611132 /nfs/dbraw/zinc/61/11/32/1019611132.db2.gz TYWLMFIIWSRYPY-SCZZXKLOSA-N -1 0 311.294 -0.388 20 0 DBADRM C[C@@H]1CCCN(C(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1 ZINC001610081937 1019611203 /nfs/dbraw/zinc/61/12/03/1019611203.db2.gz ZWYWWDGJAXXTAU-GHMZBOCLSA-N -1 0 318.395 -0.572 20 0 DBADRM CCc1ccc(NC(=O)C(=O)N(C)CC(N)=O)c(C(=O)[O-])c1 ZINC001610061813 1019611492 /nfs/dbraw/zinc/61/14/92/1019611492.db2.gz DFDSNSSABRFLLQ-UHFFFAOYSA-N -1 0 307.306 -0.171 20 0 DBADRM CCn1ccc(CNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])n1 ZINC001610085496 1019611815 /nfs/dbraw/zinc/61/18/15/1019611815.db2.gz SFBRPUAYPWQVDW-NSHDSACASA-N -1 0 308.338 -0.015 20 0 DBADRM CCn1nccc1NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001610085970 1019612120 /nfs/dbraw/zinc/61/21/20/1019612120.db2.gz LAYCNLPKJPUBRL-SECBINFHSA-N -1 0 310.310 -0.456 20 0 DBADRM CN(C)C(=O)[C@@H]1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001610094023 1019614213 /nfs/dbraw/zinc/61/42/13/1019614213.db2.gz BYISHUBWFLFVRE-SECBINFHSA-N -1 0 306.384 -0.163 20 0 DBADRM CCn1c(N)c(C(=O)CN2CC[C@@H](C(=O)[O-])[C@@H]2C)c(=O)[nH]c1=O ZINC001610087859 1019614338 /nfs/dbraw/zinc/61/43/38/1019614338.db2.gz ZOYHTHANXKTLIX-JGVFFNPUSA-N -1 0 324.337 -0.471 20 0 DBADRM CCn1c(N)c(C(=O)CN2CC[C@H](C(=O)[O-])[C@@H]2C)c(=O)[nH]c1=O ZINC001610087861 1019614394 /nfs/dbraw/zinc/61/43/94/1019614394.db2.gz ZOYHTHANXKTLIX-YUMQZZPRSA-N -1 0 324.337 -0.471 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)c2ccoc2CC(=O)[O-])CC1 ZINC001610093256 1019614425 /nfs/dbraw/zinc/61/44/25/1019614425.db2.gz BRTAUKSOXYGJAX-UHFFFAOYSA-N -1 0 323.349 -0.247 20 0 DBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC1(CC(=O)[O-])CC1 ZINC001610108818 1019616227 /nfs/dbraw/zinc/61/62/27/1019616227.db2.gz DCQKITGOCYROHB-SNVBAGLBSA-N -1 0 318.395 -0.524 20 0 DBADRM CN(CC(=O)N[C@@]1(CC(=O)[O-])CCCOC1)S(C)(=O)=O ZINC001610108972 1019617146 /nfs/dbraw/zinc/61/71/46/1019617146.db2.gz LGVYRPRGNWJWAM-LLVKDONJSA-N -1 0 308.356 -0.982 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001610104397 1019617175 /nfs/dbraw/zinc/61/71/75/1019617175.db2.gz RVVNIDDMLMVOOA-PWSUYJOCSA-N -1 0 314.363 -0.039 20 0 DBADRM CN(CC(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1)S(C)(=O)=O ZINC001610108541 1019617398 /nfs/dbraw/zinc/61/73/98/1019617398.db2.gz JOBQOGODYAYQCK-LLVKDONJSA-N -1 0 316.335 -0.475 20 0 DBADRM C[C@@H]1OCC[C@@]12CN(CCS(=O)(=O)CC(=O)[O-])CCO2 ZINC001610100829 1019618033 /nfs/dbraw/zinc/61/80/33/1019618033.db2.gz LZJIWIDJQHJXQY-CMPLNLGQSA-N -1 0 307.368 -0.634 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001610118881 1019619920 /nfs/dbraw/zinc/61/99/20/1019619920.db2.gz KRRAJPYJNKVKCY-UHFFFAOYSA-N -1 0 314.363 -0.065 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC001610114874 1019620421 /nfs/dbraw/zinc/62/04/21/1019620421.db2.gz RHXGJOBCYBXIQK-UHFFFAOYSA-N -1 0 301.324 -0.334 20 0 DBADRM CN(CCOCCO)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001610118589 1019620671 /nfs/dbraw/zinc/62/06/71/1019620671.db2.gz QHYRCVAZGLUHRH-MNOVXSKESA-N -1 0 309.384 -0.100 20 0 DBADRM C[N@H+](CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC(=O)[O-] ZINC001610116002 1019621251 /nfs/dbraw/zinc/62/12/51/1019621251.db2.gz CIMBZBUUBZTNSK-UHFFFAOYSA-N -1 0 313.276 -0.424 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)OCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001610128624 1019622876 /nfs/dbraw/zinc/62/28/76/1019622876.db2.gz YEXQRSOMZWMOCX-SECBINFHSA-N -1 0 321.289 -0.118 20 0 DBADRM CN1CC(=O)N(CCCC(=O)Nc2c[nH]nc2C(=O)[O-])C1=O ZINC001610128297 1019623766 /nfs/dbraw/zinc/62/37/66/1019623766.db2.gz UXGWMMUVWUXKKD-UHFFFAOYSA-N -1 0 309.282 -0.279 20 0 DBADRM C[C@@H]1CCCC[C@H]1C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575525346 1019623886 /nfs/dbraw/zinc/62/38/86/1019623886.db2.gz LRZGYVAKYRQYEA-RKDXNWHRSA-N -1 0 323.353 -0.045 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1=O ZINC001610127492 1019624429 /nfs/dbraw/zinc/62/44/29/1019624429.db2.gz MPBYNNXZQLEIBK-OYNCUSHFSA-N -1 0 323.305 -0.881 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)CCO1 ZINC001610138608 1019627613 /nfs/dbraw/zinc/62/76/13/1019627613.db2.gz DHMPGEJTIWHQJX-SNVBAGLBSA-N -1 0 310.310 -0.298 20 0 DBADRM CN1CCN(CC(=O)N(CC(=O)[O-])Cc2ccccc2)CC1=O ZINC001610135865 1019628090 /nfs/dbraw/zinc/62/80/90/1019628090.db2.gz XJTLXWYVGCGFTE-UHFFFAOYSA-N -1 0 319.361 -0.126 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001610140385 1019629826 /nfs/dbraw/zinc/62/98/26/1019629826.db2.gz LKYZVXCASIWAES-UHFFFAOYSA-N -1 0 323.305 -0.416 20 0 DBADRM CNC(=O)CN1CCC(NC(=S)NCCCC(=O)[O-])CC1 ZINC001610140198 1019630002 /nfs/dbraw/zinc/63/00/02/1019630002.db2.gz BZRVJFTUSKGATG-UHFFFAOYSA-N -1 0 316.427 -0.474 20 0 DBADRM CNC(=O)[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001610142236 1019630702 /nfs/dbraw/zinc/63/07/02/1019630702.db2.gz LSNVFZPJELCDCO-VIFPVBQESA-N -1 0 316.335 -0.922 20 0 DBADRM CNC(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(O)c1 ZINC001610141209 1019630820 /nfs/dbraw/zinc/63/08/20/1019630820.db2.gz XFMNGGBNOACPOW-NSHDSACASA-N -1 0 311.294 -0.428 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001610143691 1019631549 /nfs/dbraw/zinc/63/15/49/1019631549.db2.gz UTDRRJSPCWXTKV-BDAKNGLRSA-N -1 0 324.341 -0.810 20 0 DBADRM COC(=O)[C@@H](CC(C)C)NC(=O)CN[C@@]1(C(=O)[O-])CCOC1 ZINC001610151072 1019632931 /nfs/dbraw/zinc/63/29/31/1019632931.db2.gz MXAPOVFZPQBBRH-YGRLFVJLSA-N -1 0 316.354 -0.476 20 0 DBADRM COC(=O)[C@H](CF)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001610151054 1019633244 /nfs/dbraw/zinc/63/32/44/1019633244.db2.gz MUFRSWQEBLMMON-VIFPVBQESA-N -1 0 320.298 -0.122 20 0 DBADRM CNC(=O)c1cccc(C(=O)N(CC(=O)[O-])CC(=O)OC)n1 ZINC001610144726 1019633671 /nfs/dbraw/zinc/63/36/71/1019633671.db2.gz AXCCPNKIWYQIJT-UHFFFAOYSA-N -1 0 309.278 -0.859 20 0 DBADRM CNS(=O)(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)C(=O)[O-])c1 ZINC001610147616 1019633878 /nfs/dbraw/zinc/63/38/78/1019633878.db2.gz RCDMZKBBWPYDJS-YFKPBYRVSA-N -1 0 304.280 -0.878 20 0 DBADRM CN[C@@H](C(=O)NCC1(C(=O)[O-])CCOCC1)c1cnn(C)c1 ZINC001610145502 1019634268 /nfs/dbraw/zinc/63/42/68/1019634268.db2.gz PWLJZQLNAAFVCN-LLVKDONJSA-N -1 0 310.354 -0.322 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)CC[C@@H]1CCOC1 ZINC001610150720 1019634510 /nfs/dbraw/zinc/63/45/10/1019634510.db2.gz JFHQLASKNYVQJV-IUCAKERBSA-N -1 0 309.340 -0.651 20 0 DBADRM CNS(=O)(=O)NCC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001610147080 1019634551 /nfs/dbraw/zinc/63/45/51/1019634551.db2.gz MNZSNMIVMIPPBZ-UHFFFAOYSA-N -1 0 315.351 -0.903 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)CC[C@@H]1CCOC1 ZINC001610150718 1019634575 /nfs/dbraw/zinc/63/45/75/1019634575.db2.gz JFHQLASKNYVQJV-DTWKUNHWSA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)[C@@H](CC(C)C)NC(=O)CN[C@]1(C(=O)[O-])CCOC1 ZINC001610151070 1019634600 /nfs/dbraw/zinc/63/46/00/1019634600.db2.gz MXAPOVFZPQBBRH-QMTHXVAHSA-N -1 0 316.354 -0.476 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001610152876 1019635980 /nfs/dbraw/zinc/63/59/80/1019635980.db2.gz LDRUFLJCZVIAEW-ONGXEEELSA-N -1 0 309.322 -0.114 20 0 DBADRM COC(=O)C1(NS(=O)(=O)NC2CC2)CCC(C(=O)[O-])CC1 ZINC001610156526 1019636444 /nfs/dbraw/zinc/63/64/44/1019636444.db2.gz MPRCOVFBUVUCMZ-UHFFFAOYSA-N -1 0 320.367 -0.241 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@H]1NC(=O)O[C@H]1C)OC ZINC001610229401 1019653963 /nfs/dbraw/zinc/65/39/63/1019653963.db2.gz JEFMAWZYTZOLIJ-XVKPBYJWSA-N -1 0 304.299 -0.595 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1cc(C(=O)[O-])no1)c1ccn(C)n1 ZINC001610153681 1019636931 /nfs/dbraw/zinc/63/69/31/1019636931.db2.gz JGUXFEANTWMBMA-VIFPVBQESA-N -1 0 308.250 -0.250 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)Cc1ccccc1 ZINC001610151979 1019637222 /nfs/dbraw/zinc/63/72/22/1019637222.db2.gz GPQMDDWDQMWLQE-NSHDSACASA-N -1 0 322.317 -0.522 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cc[n+]([O-])cc1 ZINC001610174572 1019638757 /nfs/dbraw/zinc/63/87/57/1019638757.db2.gz OQACZVWFMNJDEX-WDEREUQCSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCC(F)F ZINC001610171465 1019639290 /nfs/dbraw/zinc/63/92/90/1019639290.db2.gz LQADCPGHKKZPQB-BQBZGAKWSA-N -1 0 322.264 -0.768 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001610165574 1019639385 /nfs/dbraw/zinc/63/93/85/1019639385.db2.gz LBMHBVWCUZHIPI-BBBLOLIVSA-N -1 0 323.367 -0.311 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC001610167580 1019640015 /nfs/dbraw/zinc/64/00/15/1019640015.db2.gz QJLGJZNWFVRFKD-CABZTGNLSA-N -1 0 322.317 -0.069 20 0 DBADRM COC(=O)C[C@@H](NC(=O)CCc1ccccc1C(N)=O)C(=O)[O-] ZINC001610178371 1019641273 /nfs/dbraw/zinc/64/12/73/1019641273.db2.gz BKLNIVHQSVHNKM-LLVKDONJSA-N -1 0 322.317 -0.149 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cnn(C)c1SC)C(=O)[O-] ZINC001610177482 1019641618 /nfs/dbraw/zinc/64/16/18/1019641618.db2.gz HFJSUNRACZZHGH-SSDOTTSWSA-N -1 0 301.324 -0.112 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccnc2c1nnn2C)C(=O)[O-] ZINC001610178092 1019641773 /nfs/dbraw/zinc/64/17/73/1019641773.db2.gz MRZFQRJARKVIHQ-ZETCQYMHSA-N -1 0 307.266 -0.891 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccc(C(=O)OC)cn1)C(=O)[O-] ZINC001610179441 1019642042 /nfs/dbraw/zinc/64/20/42/1019642042.db2.gz XUTKMOFACJWTLP-SECBINFHSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1ccnn1CC(F)F)C(=O)[O-] ZINC001610179267 1019642774 /nfs/dbraw/zinc/64/27/74/1019642774.db2.gz UNLMMYLBRRAFFT-ZCFIWIBFSA-N -1 0 305.237 -0.106 20 0 DBADRM COC(=O)CCC(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC001610184186 1019643793 /nfs/dbraw/zinc/64/37/93/1019643793.db2.gz LCBVESYSTBTLFA-UHFFFAOYSA-N -1 0 322.277 -0.800 20 0 DBADRM COC(=O)CN(C)CCNS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001610182001 1019644501 /nfs/dbraw/zinc/64/45/01/1019644501.db2.gz BLMPPDUAKBYPSP-UHFFFAOYSA-N -1 0 320.323 -0.639 20 0 DBADRM COC(=O)CCCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001610184009 1019645890 /nfs/dbraw/zinc/64/58/90/1019645890.db2.gz HJWFIHHXOIGFGB-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)[C@H]1[C@@H]2CN(S(=O)(=O)CC3(C(=O)[O-])CCC3)C[C@@H]21 ZINC001610189864 1019646991 /nfs/dbraw/zinc/64/69/91/1019646991.db2.gz GLCHCUXDCKDSMA-MYJAWHEDSA-N -1 0 317.363 -0.078 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CCN1CCOCC1 ZINC001610194053 1019648002 /nfs/dbraw/zinc/64/80/02/1019648002.db2.gz SBGUABPXYKTVLS-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM COC(=O)Cn1cc(NS(=O)(=O)CC(C)(C)C(=O)[O-])cn1 ZINC001610187285 1019648121 /nfs/dbraw/zinc/64/81/21/1019648121.db2.gz PLIXXFLJEACPCV-UHFFFAOYSA-N -1 0 319.339 -0.091 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cnn2ccncc12 ZINC001610193046 1019648490 /nfs/dbraw/zinc/64/84/90/1019648490.db2.gz GIDPWUUUHIAWTN-SECBINFHSA-N -1 0 306.278 -0.135 20 0 DBADRM COC(=O)N(C)CCCC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1 ZINC001610188092 1019648670 /nfs/dbraw/zinc/64/86/70/1019648670.db2.gz ZWQXXYHPUZOORV-NSHDSACASA-N -1 0 315.370 -0.060 20 0 DBADRM CCCN(C(=O)C(=O)NCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001610216313 1019650619 /nfs/dbraw/zinc/65/06/19/1019650619.db2.gz UEDALOBUYDMEBE-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN1CCO[C@H](CF)C1 ZINC001610197385 1019650972 /nfs/dbraw/zinc/65/09/72/1019650972.db2.gz ACCYKDNBKCOHGH-MRVPVSSYSA-N -1 0 301.274 -0.004 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CF)C(=O)[O-])cn1C ZINC001610206566 1019651100 /nfs/dbraw/zinc/65/11/00/1019651100.db2.gz SGEKNYNIYQHXPJ-SSDOTTSWSA-N -1 0 308.287 -0.487 20 0 DBADRM COC(=O)c1cc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])n(C)c1C ZINC001610200347 1019651387 /nfs/dbraw/zinc/65/13/87/1019651387.db2.gz JFYPULFMSLOMBU-LBPRGKRZSA-N -1 0 323.349 -0.105 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@@H](C)N1CCNCC1=O ZINC001575595897 1019651769 /nfs/dbraw/zinc/65/17/69/1019651769.db2.gz VHCBMHRQSLXHAR-SNVBAGLBSA-N -1 0 309.374 -0.995 20 0 DBADRM COC(=O)c1cncc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])c1 ZINC001610219251 1019651699 /nfs/dbraw/zinc/65/16/99/1019651699.db2.gz RVBVECHCMGFBPH-LLVKDONJSA-N -1 0 318.289 -0.052 20 0 DBADRM CO[C@@H]1CCN(CC(=O)NC[C@H]2CCCO2)[C@@H](C(=O)[O-])C1 ZINC001610238525 1019652626 /nfs/dbraw/zinc/65/26/26/1019652626.db2.gz WMDCUAVTAWQIGN-IJLUTSLNSA-N -1 0 300.355 -0.154 20 0 DBADRM COCC(=O)N(C)CC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001610240695 1019653360 /nfs/dbraw/zinc/65/33/60/1019653360.db2.gz IZUVLDDUYUSGEF-SECBINFHSA-N -1 0 304.368 -0.633 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1C)C(N)=O ZINC001610251354 1019659610 /nfs/dbraw/zinc/65/96/10/1019659610.db2.gz VUXBUDZNULVMQG-ZCFIWIBFSA-N -1 0 306.296 -0.935 20 0 DBADRM COC1(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001610230279 1019653154 /nfs/dbraw/zinc/65/31/54/1019653154.db2.gz XVCRNOUFDGDIJH-GHMZBOCLSA-N -1 0 316.354 -0.341 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)C(F)(F)F ZINC001610228793 1019653295 /nfs/dbraw/zinc/65/32/95/1019653295.db2.gz SGSFRXBLETYYBX-RNFRBKRXSA-N -1 0 312.244 -0.387 20 0 DBADRM CO[C@H](C)CS(=O)(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610225064 1019653485 /nfs/dbraw/zinc/65/34/85/1019653485.db2.gz JICIGOKASDZZJU-BDAKNGLRSA-N -1 0 318.355 -0.412 20 0 DBADRM CO[C@@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)[C@H](C(=O)[O-])C1 ZINC001610236058 1019653519 /nfs/dbraw/zinc/65/35/19/1019653519.db2.gz BMMKSVJEVZPCNL-KOLCDFICSA-N -1 0 307.306 -0.115 20 0 DBADRM CO[C@@]1(CNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])CCOC1 ZINC001610234558 1019653555 /nfs/dbraw/zinc/65/35/55/1019653555.db2.gz SNVASONRZQBMKY-IINYFYTJSA-N -1 0 314.338 -0.626 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@@H]1CCNC(=O)CC1)OC ZINC001610232040 1019653859 /nfs/dbraw/zinc/65/38/59/1019653859.db2.gz SEPNSPOQGDGQAQ-JTQLQIEISA-N -1 0 316.354 -0.175 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])C1CC1 ZINC001610230112 1019654066 /nfs/dbraw/zinc/65/40/66/1019654066.db2.gz VEQLHZINMZVZHB-NXEZZACHSA-N -1 0 320.367 -0.984 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCC(O)(C(=O)[O-])CC1)C(C)C ZINC001610227687 1019654385 /nfs/dbraw/zinc/65/43/85/1019654385.db2.gz KPAUVLYAMLYFND-SNVBAGLBSA-N -1 0 309.384 -0.101 20 0 DBADRM COC[C@@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)[O-] ZINC001610246747 1019655186 /nfs/dbraw/zinc/65/51/86/1019655186.db2.gz VUTLWJDEEULJNR-GFCCVEGCSA-N -1 0 319.317 -0.308 20 0 DBADRM COC[C@@](C)(O)CNS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001610242878 1019656662 /nfs/dbraw/zinc/65/66/62/1019656662.db2.gz BITCXRIWEJBBNV-NSHDSACASA-N -1 0 309.384 -0.052 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001610244646 1019656990 /nfs/dbraw/zinc/65/69/90/1019656990.db2.gz HAGLJLGURSMHRJ-NSHDSACASA-N -1 0 310.306 -0.624 20 0 DBADRM COC[C@H](NC(=O)Cc1c(C)nc2nc(N)nn2c1C)C(=O)[O-] ZINC001610245916 1019657221 /nfs/dbraw/zinc/65/72/21/1019657221.db2.gz IHMHJJAAYITYQV-VIFPVBQESA-N -1 0 322.325 -0.918 20 0 DBADRM COC[C@@H](NC(=O)c1cc2c(ncnc2N(C)C)n1C)C(=O)[O-] ZINC001610249034 1019658578 /nfs/dbraw/zinc/65/85/78/1019658578.db2.gz BXCLQOYZVKDHAL-SECBINFHSA-N -1 0 321.337 -0.136 20 0 DBADRM COC[C@@H](OC(=O)CN1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC001610248205 1019658927 /nfs/dbraw/zinc/65/89/27/1019658927.db2.gz IRGCFXOYVQSLBV-GFCCVEGCSA-N -1 0 323.349 -0.154 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001506002160 1019659954 /nfs/dbraw/zinc/65/99/54/1019659954.db2.gz OYAGPJADNBWTCT-BBBLOLIVSA-N -1 0 324.385 -0.652 20 0 DBADRM COC[C@H](OC(=O)CN(C)C(=O)[C@H](C)n1cccn1)C(=O)[O-] ZINC001610247220 1019660112 /nfs/dbraw/zinc/66/01/12/1019660112.db2.gz BWUJBBXKRTVPLX-UWVGGRQHSA-N -1 0 313.310 -0.455 20 0 DBADRM COCC1(CCNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CC1 ZINC001610250556 1019660125 /nfs/dbraw/zinc/66/01/25/1019660125.db2.gz IGOUTSVDUQUNAO-UHFFFAOYSA-N -1 0 324.337 -0.010 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cnc2c(cnn2C)c1)C(=O)[O-] ZINC001610249914 1019660148 /nfs/dbraw/zinc/66/01/48/1019660148.db2.gz SWQISXKBFRPFAF-SECBINFHSA-N -1 0 314.323 -0.654 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001506006086 1019660750 /nfs/dbraw/zinc/66/07/50/1019660750.db2.gz OSSCELBSXZVUJL-WCBMZHEXSA-N -1 0 312.374 -0.639 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001506002159 1019660927 /nfs/dbraw/zinc/66/09/27/1019660927.db2.gz OYAGPJADNBWTCT-AEJSXWLSSA-N -1 0 324.385 -0.652 20 0 DBADRM COCC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC001610254210 1019661183 /nfs/dbraw/zinc/66/11/83/1019661183.db2.gz VCYUJVPHVUWZSZ-SNVBAGLBSA-N -1 0 316.335 -0.447 20 0 DBADRM COCC[C@@H](NC(=O)[C@@](C)(O)Cn1ccccc1=O)C(=O)[O-] ZINC001610253846 1019661843 /nfs/dbraw/zinc/66/18/43/1019661843.db2.gz BSOSPGZINLQXCU-YGRLFVJLSA-N -1 0 312.322 -0.795 20 0 DBADRM COCCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001610257128 1019661965 /nfs/dbraw/zinc/66/19/65/1019661965.db2.gz WRSPTUBLLWUCSG-NXEZZACHSA-N -1 0 323.367 -0.309 20 0 DBADRM COCCCN(C)C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001610255261 1019662349 /nfs/dbraw/zinc/66/23/49/1019662349.db2.gz OKJRNYUZRGAPRH-SNVBAGLBSA-N -1 0 302.327 -0.817 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(N)=O ZINC001610253944 1019662396 /nfs/dbraw/zinc/66/23/96/1019662396.db2.gz OZXOXTWOAXYUMD-JTQLQIEISA-N -1 0 316.335 -0.447 20 0 DBADRM COCCCOCC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001610257195 1019662548 /nfs/dbraw/zinc/66/25/48/1019662548.db2.gz BJKSHWJPSSENAH-WDEREUQCSA-N -1 0 317.338 -0.096 20 0 DBADRM COCCCS(=O)(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001610256525 1019662590 /nfs/dbraw/zinc/66/25/90/1019662590.db2.gz AQJWHIYYCVOKMI-NSHDSACASA-N -1 0 308.400 -0.167 20 0 DBADRM COCCCn1cnnc1S[C@@H](C)C(=O)NCC(=O)[O-] ZINC001610258338 1019662876 /nfs/dbraw/zinc/66/28/76/1019662876.db2.gz LUQOQIGLMQRHQG-QMMMGPOBSA-N -1 0 302.356 -0.004 20 0 DBADRM CS[C@@H](C)CNC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001610380558 1019676430 /nfs/dbraw/zinc/67/64/30/1019676430.db2.gz OSXLJFZRZUUTEH-WPRPVWTQSA-N -1 0 318.395 -0.462 20 0 DBADRM COCCOc1cc(OC)ccc1C(=O)NC[C@H](O)C(=O)[O-] ZINC001610262630 1019663916 /nfs/dbraw/zinc/66/39/16/1019663916.db2.gz LGSALCQLCOIONU-NSHDSACASA-N -1 0 313.306 -0.104 20 0 DBADRM COCCS(=O)(=O)Nc1c(C(=O)OC)c[nH]c1C(=O)[O-] ZINC001610263653 1019664022 /nfs/dbraw/zinc/66/40/22/1019664022.db2.gz HUUCXZJABXRFFB-UHFFFAOYSA-N -1 0 306.296 -0.112 20 0 DBADRM COCCN(Cc1ccnn1C)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001610262791 1019664052 /nfs/dbraw/zinc/66/40/52/1019664052.db2.gz PPXJSBBOGHKWBB-JTQLQIEISA-N -1 0 319.383 -0.081 20 0 DBADRM COCc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)ncn1 ZINC001610268006 1019664172 /nfs/dbraw/zinc/66/41/72/1019664172.db2.gz STDGJOKFFNBGPS-PSASIEDQSA-N -1 0 322.321 -0.117 20 0 DBADRM COC[C@H](O)CNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001610267821 1019664811 /nfs/dbraw/zinc/66/48/11/1019664811.db2.gz FEJMSLZOIOLTOC-ZCFIWIBFSA-N -1 0 302.308 -0.492 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cn1 ZINC001610267699 1019664981 /nfs/dbraw/zinc/66/49/81/1019664981.db2.gz QXVULENOYALUCK-GXSJLCMTSA-N -1 0 324.337 -0.210 20 0 DBADRM COCCOCC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001610264407 1019665557 /nfs/dbraw/zinc/66/55/57/1019665557.db2.gz WEDWCGYHFGSVAE-UWVGGRQHSA-N -1 0 303.311 -0.486 20 0 DBADRM CCN(C(=O)COC(=O)CCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001610271062 1019666802 /nfs/dbraw/zinc/66/68/02/1019666802.db2.gz SFPOYWYXAQMCMR-VIFPVBQESA-N -1 0 321.351 -0.570 20 0 DBADRM COCc1nocc1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001610274976 1019667062 /nfs/dbraw/zinc/66/70/62/1019667062.db2.gz QAPDHKMIQBBAIL-SNVBAGLBSA-N -1 0 311.294 -0.374 20 0 DBADRM CCN(C(=O)COC(=O)CCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001610271061 1019667497 /nfs/dbraw/zinc/66/74/97/1019667497.db2.gz SFPOYWYXAQMCMR-SECBINFHSA-N -1 0 321.351 -0.570 20 0 DBADRM CCN(CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C1CC1 ZINC001610271037 1019667555 /nfs/dbraw/zinc/66/75/55/1019667555.db2.gz MKHLMYYTCFJTDU-SNVBAGLBSA-N -1 0 304.368 -0.819 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001610275420 1019668345 /nfs/dbraw/zinc/66/83/45/1019668345.db2.gz OXNLTVYNJNSFBP-NXEZZACHSA-N -1 0 309.278 -0.752 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])ccn1 ZINC001610298833 1019668424 /nfs/dbraw/zinc/66/84/24/1019668424.db2.gz JYGRRAMZDSYIDY-ONGXEEELSA-N -1 0 323.305 -0.535 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])ccn1 ZINC001610298829 1019668720 /nfs/dbraw/zinc/66/87/20/1019668720.db2.gz JYGRRAMZDSYIDY-KOLCDFICSA-N -1 0 323.305 -0.535 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N2CC[C@@H](O)C2)c1 ZINC001610317813 1019669895 /nfs/dbraw/zinc/66/98/95/1019669895.db2.gz UNOGVMSEBLLEJY-MRVPVSSYSA-N -1 0 308.290 -0.075 20 0 DBADRM CCOC(=O)C1=C(COC(=O)[C@@H](C)C(=O)[O-])NC(=O)N[C@@H]1C ZINC001610314128 1019670000 /nfs/dbraw/zinc/67/00/00/1019670000.db2.gz ATGLFRPBMFIWSE-NKWVEPMBSA-N -1 0 314.294 -0.231 20 0 DBADRM COc1ccccc1NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001610365899 1019670125 /nfs/dbraw/zinc/67/01/25/1019670125.db2.gz ZLEQLNKRBFXFSO-VHSXEESVSA-N -1 0 322.317 -0.072 20 0 DBADRM CCOC(=O)C1(O)CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001610314201 1019671117 /nfs/dbraw/zinc/67/11/17/1019671117.db2.gz CBSROKUNRGRJND-UHFFFAOYSA-N -1 0 323.305 -0.295 20 0 DBADRM COc1ccc(CNC(=O)C[C@@H]2NC(=O)NC2=O)cc1C(=O)[O-] ZINC001610334501 1019671224 /nfs/dbraw/zinc/67/12/24/1019671224.db2.gz VCERUJWTARSCSC-VIFPVBQESA-N -1 0 321.289 -0.392 20 0 DBADRM COc1ccccc1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001610365901 1019671675 /nfs/dbraw/zinc/67/16/75/1019671675.db2.gz ZLEQLNKRBFXFSO-ZJUUUORDSA-N -1 0 322.317 -0.072 20 0 DBADRM COc1ccccc1OCCC(=O)NCC(=O)NCC(=O)[O-] ZINC001610368273 1019671886 /nfs/dbraw/zinc/67/18/86/1019671886.db2.gz ZOKKZWPWXAVDNJ-UHFFFAOYSA-N -1 0 310.306 -0.219 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001610339888 1019672032 /nfs/dbraw/zinc/67/20/32/1019672032.db2.gz CQRBHJWFKOPWBN-MWLCHTKSSA-N -1 0 323.305 -0.535 20 0 DBADRM CS(=O)(=O)CC1(CN2C(=O)N[C@H](CCC(=O)[O-])C2=O)CC1 ZINC001610371931 1019673296 /nfs/dbraw/zinc/67/32/96/1019673296.db2.gz GCCANOVMNMNWBD-MRVPVSSYSA-N -1 0 318.351 -0.404 20 0 DBADRM COc1ncccc1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001610371019 1019673478 /nfs/dbraw/zinc/67/34/78/1019673478.db2.gz MDEGZYLEAMFSRY-SNVBAGLBSA-N -1 0 307.306 -0.104 20 0 DBADRM CS(=O)(=O)NC1CC(NC(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001610375407 1019674288 /nfs/dbraw/zinc/67/42/88/1019674288.db2.gz MPDIOZUQQVCIKC-UHFFFAOYSA-N -1 0 302.308 -0.212 20 0 DBADRM CS(=O)(=O)CC(=O)OCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001610371933 1019674747 /nfs/dbraw/zinc/67/47/47/1019674747.db2.gz GCMFLJSYUJLLTB-UHFFFAOYSA-N -1 0 315.303 -0.089 20 0 DBADRM C[S@@](=O)C1(CNC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])CC1 ZINC001610378661 1019675863 /nfs/dbraw/zinc/67/58/63/1019675863.db2.gz DKSVYGMMGBJSJU-AOUSDQRYSA-N -1 0 316.379 -0.521 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]2CCO)C[C@H]1C(=O)[O-] ZINC001610392888 1019675908 /nfs/dbraw/zinc/67/59/08/1019675908.db2.gz OSUOQJHTBSEUDB-KKOKHZNYSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC001610393824 1019676198 /nfs/dbraw/zinc/67/61/98/1019676198.db2.gz DQXBOQAQRXZGCL-GLEZIHRCSA-N -1 0 320.301 -0.377 20 0 DBADRM C[C@@H]1COCCN1C(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001610392971 1019676389 /nfs/dbraw/zinc/67/63/89/1019676389.db2.gz FVCBJCOMDGYUPO-MNOVXSKESA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H]1CN(C(=O)CCC[C@]2(C)NC(=O)NC2=O)C[C@H]1C(=O)[O-] ZINC001610393100 1019677331 /nfs/dbraw/zinc/67/73/31/1019677331.db2.gz WJPQPPHOHNOZAZ-NUPCCRGMSA-N -1 0 311.338 -0.066 20 0 DBADRM CSc1nc(C)c(CCC(=O)N[C@H](CO)C(=O)[O-])c(=O)[nH]1 ZINC001610389797 1019677465 /nfs/dbraw/zinc/67/74/65/1019677465.db2.gz YOVLFYQQNBTENV-MRVPVSSYSA-N -1 0 315.351 -0.293 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)C[C@H]1C(=O)[O-] ZINC001610390880 1019677577 /nfs/dbraw/zinc/67/75/77/1019677577.db2.gz YVEIRYPRLJHWJZ-IWSPIJDZSA-N -1 0 320.292 -0.606 20 0 DBADRM CSCC[C@@H]1NC(=O)N(Cc2cn(CC(=O)[O-])nn2)C1=O ZINC001610383591 1019677680 /nfs/dbraw/zinc/67/76/80/1019677680.db2.gz GFZMZHWERHVFLA-QMMMGPOBSA-N -1 0 313.339 -0.464 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@@H]2CCCCO2)cnn1CC(=O)[O-] ZINC001610419899 1019678871 /nfs/dbraw/zinc/67/88/71/1019678871.db2.gz FOFIOJJTIBRRAO-JTQLQIEISA-N -1 0 324.337 -0.100 20 0 DBADRM Cc1c(NC(=O)C(=O)NCc2cnn(C)c2)cnn1CC(=O)[O-] ZINC001610417509 1019679274 /nfs/dbraw/zinc/67/92/74/1019679274.db2.gz BQPSBUMUJHRRGB-UHFFFAOYSA-N -1 0 320.309 -0.735 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@@](C)(O)CO)cccc1C(=O)[O-] ZINC001610422379 1019679612 /nfs/dbraw/zinc/67/96/12/1019679612.db2.gz WXVYGMIDSQIIRP-CQSZACIVSA-N -1 0 310.306 -0.509 20 0 DBADRM Cc1c(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2C)cnn1CC(=O)[O-] ZINC001610421389 1019679707 /nfs/dbraw/zinc/67/97/07/1019679707.db2.gz QLYURFJTETUAFG-CBAPKCEASA-N -1 0 310.310 -0.804 20 0 DBADRM Cc1cc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)on1 ZINC001610435998 1019680010 /nfs/dbraw/zinc/68/00/10/1019680010.db2.gz TVGDVYSXLHMJCF-UHFFFAOYSA-N -1 0 302.308 -0.255 20 0 DBADRM Cc1c(NC(=O)CCN2C(=O)CCC2=O)cnn1CC(=O)[O-] ZINC001610419195 1019680449 /nfs/dbraw/zinc/68/04/49/1019680449.db2.gz JDJLZCFFZVYMPT-UHFFFAOYSA-N -1 0 308.294 -0.246 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCCOCCO)c(C(=O)[O-])[nH]1 ZINC001610470187 1019681706 /nfs/dbraw/zinc/68/17/06/1019681706.db2.gz DGTSTVIQCGCVSC-UHFFFAOYSA-N -1 0 313.310 -0.525 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])on1 ZINC001610461534 1019681901 /nfs/dbraw/zinc/68/19/01/1019681901.db2.gz LXKSHMFINRKDNJ-VHSXEESVSA-N -1 0 304.324 -0.277 20 0 DBADRM CCn1cc(CC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cn1 ZINC001610462994 1019681990 /nfs/dbraw/zinc/68/19/90/1019681990.db2.gz LYWMYICNUPMDRP-SNVBAGLBSA-N -1 0 310.354 -0.117 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)c(C(=O)[O-])[nH]1 ZINC001610469165 1019682040 /nfs/dbraw/zinc/68/20/40/1019682040.db2.gz ILEVHGXNKGBBKU-CLAHSXSESA-N -1 0 307.306 -0.199 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)sn1 ZINC001610468998 1019682583 /nfs/dbraw/zinc/68/25/83/1019682583.db2.gz FLGGPMNPMAFJHT-YUMQZZPRSA-N -1 0 313.335 -0.316 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001610475618 1019682785 /nfs/dbraw/zinc/68/27/85/1019682785.db2.gz GLRWVOOAYHJDTO-ZWNOBZJWSA-N -1 0 310.306 -0.701 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCN2CC=CC2)c(C(=O)[O-])[nH]1 ZINC001610470174 1019683143 /nfs/dbraw/zinc/68/31/43/1019683143.db2.gz CUJHMNVTFCTWJU-UHFFFAOYSA-N -1 0 306.322 -0.052 20 0 DBADRM Cc1cc(N2CC[C@H](N3C[C@H](O)C[C@@H](C(=O)[O-])C3)C2=O)n(C)n1 ZINC001610469102 1019683334 /nfs/dbraw/zinc/68/33/34/1019683334.db2.gz GJFDZHZXUWCOMC-UTUOFQBUSA-N -1 0 322.365 -0.399 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC2(C(=O)[O-])CC2)ccc1C(N)=O ZINC001610471095 1019683520 /nfs/dbraw/zinc/68/35/20/1019683520.db2.gz MHASRHZGMUYODB-UHFFFAOYSA-N -1 0 305.290 -0.234 20 0 DBADRM Cc1cc(C)nc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC001610457743 1019684030 /nfs/dbraw/zinc/68/40/30/1019684030.db2.gz SKXGVTQOGYJFQN-SNVBAGLBSA-N -1 0 307.306 -0.051 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC001610439166 1019684229 /nfs/dbraw/zinc/68/42/29/1019684229.db2.gz NRZIQUWWWRVLJV-SECBINFHSA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1cc(CS(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])on1 ZINC001610461536 1019684257 /nfs/dbraw/zinc/68/42/57/1019684257.db2.gz LXKSHMFINRKDNJ-ZJUUUORDSA-N -1 0 304.324 -0.277 20 0 DBADRM Cc1ncoc1CN(C)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001506045783 1019685643 /nfs/dbraw/zinc/68/56/43/1019685643.db2.gz DHRQOANHIBGFSY-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM Cc1cnc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC001610539909 1019685828 /nfs/dbraw/zinc/68/58/28/1019685828.db2.gz XLNYMHYHKWJPKJ-MRVPVSSYSA-N -1 0 313.335 -0.620 20 0 DBADRM Cc1ccnc2nc(C(=O)N3CCC[C@H](O)[C@H]3C(=O)[O-])nn21 ZINC001610536354 1019685840 /nfs/dbraw/zinc/68/58/40/1019685840.db2.gz RXPQWGNQXXHIKC-IUCAKERBSA-N -1 0 305.294 -0.517 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-])c1 ZINC001610539752 1019686480 /nfs/dbraw/zinc/68/64/80/1019686480.db2.gz MNYHSBFSYXBREU-MRVPVSSYSA-N -1 0 303.340 -0.525 20 0 DBADRM Cc1cncc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001610540686 1019686628 /nfs/dbraw/zinc/68/66/28/1019686628.db2.gz KBTOXCLROIJZMN-ONGXEEELSA-N -1 0 307.306 -0.377 20 0 DBADRM Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H](CF)C(=O)[O-])c1 ZINC001610514442 1019686758 /nfs/dbraw/zinc/68/67/58/1019686758.db2.gz RQSAUDQLLPXGLA-QMMMGPOBSA-N -1 0 304.299 -0.205 20 0 DBADRM Cc1cccc(-n2cc(C(=O)NCC(=O)NCC(=O)[O-])nn2)c1 ZINC001610518379 1019686974 /nfs/dbraw/zinc/68/69/74/1019686974.db2.gz OJAIMCYIYUYEAZ-UHFFFAOYSA-N -1 0 317.305 -0.494 20 0 DBADRM Cc1ccnc2nc(C(=O)N3CCC([C@H](O)C(=O)[O-])CC3)nn21 ZINC001610535852 1019687006 /nfs/dbraw/zinc/68/70/06/1019687006.db2.gz FBKIVAYZZLNKIQ-JTQLQIEISA-N -1 0 319.321 -0.270 20 0 DBADRM Cc1nc2ccc(NC(=O)C(=O)NC3(C(=O)[O-])CC3)cn2n1 ZINC001610560531 1019688756 /nfs/dbraw/zinc/68/87/56/1019688756.db2.gz MNIOMTPDNYBLSM-UHFFFAOYSA-N -1 0 303.278 -0.290 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCc2ccnn2C)c1C(=O)[O-] ZINC001610549710 1019689060 /nfs/dbraw/zinc/68/90/60/1019689060.db2.gz IXBICNLKWHWYJV-UHFFFAOYSA-N -1 0 313.339 -0.329 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cn1C ZINC001610560329 1019689133 /nfs/dbraw/zinc/68/91/33/1019689133.db2.gz GVGBROGSPOJHHT-PSASIEDQSA-N -1 0 303.340 -0.673 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001610568391 1019689494 /nfs/dbraw/zinc/68/94/94/1019689494.db2.gz ICHKWLKCMFRUPC-UHFFFAOYSA-N -1 0 324.337 -0.586 20 0 DBADRM Cc1n[nH]c(=O)c(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])c1C ZINC001610573400 1019691374 /nfs/dbraw/zinc/69/13/74/1019691374.db2.gz RVJDRZPKZGATHW-ZCFIWIBFSA-N -1 0 303.340 -0.061 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001610577229 1019691472 /nfs/dbraw/zinc/69/14/72/1019691472.db2.gz MBYATQJVLWGLDO-SNVBAGLBSA-N -1 0 317.367 -0.072 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001610587830 1019691842 /nfs/dbraw/zinc/69/18/42/1019691842.db2.gz VOBNBGCYCDAWJN-MBTKJCJQSA-N -1 0 314.319 -0.362 20 0 DBADRM Cc1occc1C(=O)NCC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001610588007 1019691949 /nfs/dbraw/zinc/69/19/49/1019691949.db2.gz HIPDTZWTIKCBBX-ZYHUDNBSSA-N -1 0 310.306 -0.246 20 0 DBADRM Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001610569609 1019692700 /nfs/dbraw/zinc/69/27/00/1019692700.db2.gz KQFACTVXQYUXNA-GZMMTYOYSA-N -1 0 324.337 -0.782 20 0 DBADRM Cn1c(=O)ccn(CC(=O)OCc2ccccc2C(=O)[O-])c1=O ZINC001610595304 1019694416 /nfs/dbraw/zinc/69/44/16/1019694416.db2.gz HZTWHFONUCLDRA-UHFFFAOYSA-N -1 0 318.285 -0.011 20 0 DBADRM Cn1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001610599818 1019694721 /nfs/dbraw/zinc/69/47/21/1019694721.db2.gz UUHSQVJHWRUNND-IQJOONFLSA-N -1 0 321.333 -0.591 20 0 DBADRM Cn1cc(-n2cc(C(=O)NC[C@](C)(O)C(=O)[O-])ccc2=O)cn1 ZINC001610599082 1019694902 /nfs/dbraw/zinc/69/49/02/1019694902.db2.gz HHTMWFJTEWRPQQ-AWEZNQCLSA-N -1 0 320.305 -0.864 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)N1CC(C)(C(=O)[O-])C1)c2=O ZINC001610599554 1019695478 /nfs/dbraw/zinc/69/54/78/1019695478.db2.gz NKVIIQBVAHPEIY-UHFFFAOYSA-N -1 0 304.306 -0.181 20 0 DBADRM Cn1cc(-n2cc(C(=O)NC[C@@](C)(O)C(=O)[O-])ccc2=O)cn1 ZINC001610599087 1019695511 /nfs/dbraw/zinc/69/55/11/1019695511.db2.gz HHTMWFJTEWRPQQ-CQSZACIVSA-N -1 0 320.305 -0.864 20 0 DBADRM Cn1cc(C(=O)N2CCCCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001610599180 1019695522 /nfs/dbraw/zinc/69/55/22/1019695522.db2.gz ILUNOPHZUIGNBG-JTQLQIEISA-N -1 0 309.322 -0.447 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Oc2ccc(C(=O)[O-])cc2)c1=O ZINC001610595820 1019696020 /nfs/dbraw/zinc/69/60/20/1019696020.db2.gz ROMZDLBEQZPAQM-UHFFFAOYSA-N -1 0 304.258 -0.149 20 0 DBADRM Cn1c(=O)cccc1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001610594477 1019696262 /nfs/dbraw/zinc/69/62/62/1019696262.db2.gz KGOBJUYYJBKCDD-UHFFFAOYSA-N -1 0 303.278 -0.628 20 0 DBADRM Cn1ccc([C@H](NS(=O)(=O)C[C@@H]2CCCO2)C(=O)[O-])n1 ZINC001610609067 1019696902 /nfs/dbraw/zinc/69/69/02/1019696902.db2.gz MGYJJNAWSAMWLI-WPRPVWTQSA-N -1 0 303.340 -0.356 20 0 DBADRM Cn1cc(CN2CCN(CN3C[C@@H](C(=O)[O-])OC3=O)CC2)cn1 ZINC001610603410 1019697158 /nfs/dbraw/zinc/69/71/58/1019697158.db2.gz ZIRNYGZJIRMBQM-LBPRGKRZSA-N -1 0 323.353 -0.599 20 0 DBADRM Cn1cccc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c1=O ZINC001610610366 1019697552 /nfs/dbraw/zinc/69/75/52/1019697552.db2.gz YNNZZOWJVTZNQM-VIFPVBQESA-N -1 0 317.305 -0.238 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)C34CC(C(=O)[O-])(C3)C4)C2=O)cn1 ZINC001610604152 1019697783 /nfs/dbraw/zinc/69/77/83/1019697783.db2.gz CNHCRQQGGXSGDB-ISAOAKOHSA-N -1 0 318.333 -0.104 20 0 DBADRM Cn1cccc1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001610608288 1019698247 /nfs/dbraw/zinc/69/82/47/1019698247.db2.gz GLAGFKZTSYLVFZ-UHFFFAOYSA-N -1 0 300.336 -0.213 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCC[C@](C)(O)C1 ZINC001610613976 1019700403 /nfs/dbraw/zinc/70/04/03/1019700403.db2.gz ATPBUVBJGFCGNG-ZDUSSCGKSA-N -1 0 310.310 -0.570 20 0 DBADRM Cn1cnc(CNS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC001610611274 1019701171 /nfs/dbraw/zinc/70/11/71/1019701171.db2.gz LKOKHXLCDCHZDX-BDAKNGLRSA-N -1 0 302.356 -0.122 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)O[C@H](C(=O)[O-])C1CC1)c2=O ZINC001610615523 1019703307 /nfs/dbraw/zinc/70/33/07/1019703307.db2.gz WPJVPUCQOBQHQJ-JTQLQIEISA-N -1 0 306.278 -0.464 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)C1CN(CC(F)F)C1)C(=O)[O-] ZINC001610615638 1019704210 /nfs/dbraw/zinc/70/42/10/1019704210.db2.gz AMYWVHYKAGUCDD-SNVBAGLBSA-N -1 0 302.281 -0.141 20 0 DBADRM Cn1ncc2cc(C(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)cnc21 ZINC001610615490 1019704558 /nfs/dbraw/zinc/70/45/58/1019704558.db2.gz VQTQBEKRESSQDR-QWRGUYRKSA-N -1 0 304.306 -0.124 20 0 DBADRM NC(=O)CCCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001610636357 1019705540 /nfs/dbraw/zinc/70/55/40/1019705540.db2.gz DRHOYZMPCNBVFA-UHFFFAOYSA-N -1 0 311.269 -0.156 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)Nc2cccc(CC(=O)[O-])n2)CCO1 ZINC001610637018 1019706052 /nfs/dbraw/zinc/70/60/52/1019706052.db2.gz UUFHMKGXYGSICR-SECBINFHSA-N -1 0 308.294 -0.573 20 0 DBADRM NC(=O)CCCC(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001610637269 1019706360 /nfs/dbraw/zinc/70/63/60/1019706360.db2.gz OWDRRYKNSBHBCY-UHFFFAOYSA-N -1 0 321.337 -0.521 20 0 DBADRM NC(=O)N[C@H](CO)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001610638256 1019708682 /nfs/dbraw/zinc/70/86/82/1019708682.db2.gz KPBZNZOSTWJUMY-NXEZZACHSA-N -1 0 313.285 -0.861 20 0 DBADRM NC(=O)COCCNS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001610637992 1019709027 /nfs/dbraw/zinc/70/90/27/1019709027.db2.gz XYBWNITYIILBRZ-UHFFFAOYSA-N -1 0 322.383 -0.557 20 0 DBADRM NC(=O)N1CCC[C@H]1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001610638568 1019709074 /nfs/dbraw/zinc/70/90/74/1019709074.db2.gz GXLBLTCZXCKJAD-PKFCDNJMSA-N -1 0 311.338 -0.521 20 0 DBADRM NC(=O)N1CCN2C(=O)N(Cc3ccoc3C(=O)[O-])C(=O)[C@H]2C1 ZINC001610638550 1019709139 /nfs/dbraw/zinc/70/91/39/1019709139.db2.gz GAQYYNZECQGZII-MRVPVSSYSA-N -1 0 322.277 -0.495 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001610640299 1019709825 /nfs/dbraw/zinc/70/98/25/1019709825.db2.gz JTFKSVJWVKIIEK-UWVGGRQHSA-N -1 0 322.321 -0.843 20 0 DBADRM NC(=O)c1cccc(C(=O)N[C@]2(CC(=O)[O-])CCCOC2)n1 ZINC001610641193 1019710257 /nfs/dbraw/zinc/71/02/57/1019710257.db2.gz CJPFFJBUUNWUOS-AWEZNQCLSA-N -1 0 307.306 -0.066 20 0 DBADRM NC(=O)c1cccc(C(=O)NC2(CC(=O)[O-])CCOCC2)n1 ZINC001610641384 1019710438 /nfs/dbraw/zinc/71/04/38/1019710438.db2.gz HGSWHOHXOVEVFO-UHFFFAOYSA-N -1 0 307.306 -0.066 20 0 DBADRM NS(=O)(=O)NC[C@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001610645758 1019711197 /nfs/dbraw/zinc/71/11/97/1019711197.db2.gz HHAPXRUYUUGHBD-MRVPVSSYSA-N -1 0 315.355 -0.816 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccoc1CC(=O)[O-] ZINC001610645813 1019712341 /nfs/dbraw/zinc/71/23/41/1019712341.db2.gz KTJRXPXIOGVOAH-MRVPVSSYSA-N -1 0 316.335 -0.200 20 0 DBADRM Nc1cc(C(=O)O[C@H](C(=O)[O-])C2CC2)ccc1S(N)(=O)=O ZINC001610649577 1019712634 /nfs/dbraw/zinc/71/26/34/1019712634.db2.gz KKUHCMBSRFLVGW-JTQLQIEISA-N -1 0 314.319 -0.064 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(CC(=O)NC[C@H]2CCCO2)CC1 ZINC001610662713 1019713457 /nfs/dbraw/zinc/71/34/57/1019713457.db2.gz NQAGCPNYAUKCQH-YPMHNXCESA-N -1 0 300.355 -0.561 20 0 DBADRM O=C([O-])C1(NC(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC001610656676 1019713616 /nfs/dbraw/zinc/71/36/16/1019713616.db2.gz GKSAWBJOZIGZKY-UHFFFAOYSA-N -1 0 313.335 -0.517 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)CN1CC[C@@H](CO)[C@@H](O)C1 ZINC001610662120 1019714260 /nfs/dbraw/zinc/71/42/60/1019714260.db2.gz ALIFVPSVXZYPIQ-GWCFXTLKSA-N -1 0 308.334 -0.002 20 0 DBADRM O=C([O-])c1n[nH]cc1NC(=O)CCN1CCCS1(=O)=O ZINC001610656211 1019715278 /nfs/dbraw/zinc/71/52/78/1019715278.db2.gz PZXOPGJYKYUSTP-UHFFFAOYSA-N -1 0 302.312 -0.528 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001610655610 1019715801 /nfs/dbraw/zinc/71/58/01/1019715801.db2.gz JNKFUQJIYPKUOL-GFCCVEGCSA-N -1 0 315.351 -0.605 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CCN(C(=O)CO)CC2)c1 ZINC001610663052 1019716068 /nfs/dbraw/zinc/71/60/68/1019716068.db2.gz CXLUKDUBVHWOSZ-UHFFFAOYSA-N -1 0 321.333 -0.540 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC001610681933 1019717293 /nfs/dbraw/zinc/71/72/93/1019717293.db2.gz RNBHGPKSOMEYML-MRVPVSSYSA-N -1 0 317.298 -0.977 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001610683375 1019717681 /nfs/dbraw/zinc/71/76/81/1019717681.db2.gz RGROMPCZIHISAM-WDEREUQCSA-N -1 0 313.354 -0.524 20 0 DBADRM O=C([O-])C1(NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC001610680694 1019718031 /nfs/dbraw/zinc/71/80/31/1019718031.db2.gz SIQPCUZRRKVTJU-SECBINFHSA-N -1 0 311.319 -0.550 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CN1CSCC1=O)Cc1ccncc1 ZINC001610664035 1019718118 /nfs/dbraw/zinc/71/81/18/1019718118.db2.gz OITMKNBIEWQBBU-LLVKDONJSA-N -1 0 323.374 -0.026 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001610683748 1019719367 /nfs/dbraw/zinc/71/93/67/1019719367.db2.gz ZKDWONVBDPKMLB-SNVBAGLBSA-N -1 0 306.274 -0.485 20 0 DBADRM O=C(NCCCO[C@H]1CCOC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001610692610 1019719625 /nfs/dbraw/zinc/71/96/25/1019719625.db2.gz RNFKVZNJGRQAGY-AXFHLTTASA-N -1 0 314.338 -0.722 20 0 DBADRM O=C([O-])c1ccc(NC(=O)NCCC2CS(=O)(=O)C2)nn1 ZINC001610689819 1019719837 /nfs/dbraw/zinc/71/98/37/1019719837.db2.gz GYSSICAQMRTJNB-UHFFFAOYSA-N -1 0 314.323 -0.269 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@H]2CCCS(=O)(=O)C2)no1 ZINC001610691372 1019720327 /nfs/dbraw/zinc/72/03/27/1019720327.db2.gz OHEYKULMVUQLTF-SSDOTTSWSA-N -1 0 302.308 -0.073 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCSC1 ZINC001610683563 1019720342 /nfs/dbraw/zinc/72/03/42/1019720342.db2.gz VLGBLRQYSWKOQZ-SDBXPKJASA-N -1 0 324.362 -0.161 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC2(CO)CC2)c2ccccc2O1 ZINC001610683980 1019721194 /nfs/dbraw/zinc/72/11/94/1019721194.db2.gz IAWJADRGHKVSCC-NSHDSACASA-N -1 0 320.301 -0.494 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NC[C@@H](O)c2ccco2)nn1 ZINC001610695977 1019721213 /nfs/dbraw/zinc/72/12/13/1019721213.db2.gz UUTBOVJAKWSHMM-SECBINFHSA-N -1 0 309.282 -0.398 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCC[C@@]12CCOC2=O ZINC001610702542 1019722408 /nfs/dbraw/zinc/72/24/08/1019722408.db2.gz GGKZOUMSUBLCSW-QIBSRJKCSA-N -1 0 310.306 -0.726 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC001610721110 1019722443 /nfs/dbraw/zinc/72/24/43/1019722443.db2.gz HIWKYSBRHCJLTM-MNOVXSKESA-N -1 0 319.379 -0.362 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(S(=O)(=O)CC[C@H]2CCOC2)CC1 ZINC001610724168 1019723372 /nfs/dbraw/zinc/72/33/72/1019723372.db2.gz RULZTPYCEXSHBN-ZYHUDNBSSA-N -1 0 321.395 -0.100 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(C(=O)C(=O)NCc1cccnn1)CC2 ZINC001610698442 1019723665 /nfs/dbraw/zinc/72/36/65/1019723665.db2.gz UYJNEDVAQGFUCI-NSHDSACASA-N -1 0 318.333 -0.194 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)N(CCO)CCCO)c1 ZINC001610704010 1019723822 /nfs/dbraw/zinc/72/38/22/1019723822.db2.gz JYGOGJKOTVTMCH-UHFFFAOYSA-N -1 0 316.335 -0.412 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)Nc2cnns2)CC1 ZINC001610712307 1019724432 /nfs/dbraw/zinc/72/44/32/1019724432.db2.gz SQWWCHQHLDIHNB-MRVPVSSYSA-N -1 0 314.323 -0.839 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2Cc3ccccc3C2)C1 ZINC001610736299 1019725289 /nfs/dbraw/zinc/72/52/89/1019725289.db2.gz VFFADJNSYXYXSO-QWHCGFSZSA-N -1 0 318.329 -0.177 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1cccn2c(=O)[nH]nc12 ZINC001610732035 1019725583 /nfs/dbraw/zinc/72/55/83/1019725583.db2.gz BKIHJDSKYKVRQX-RKDXNWHRSA-N -1 0 306.278 -0.515 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC001610728065 1019725687 /nfs/dbraw/zinc/72/56/87/1019725687.db2.gz RZGCOKGBJUEPRZ-MRVPVSSYSA-N -1 0 311.381 -0.652 20 0 DBADRM O=C([O-])C1(O)CCN(S(=O)(=O)CC[C@@H]2CCOC2)CC1 ZINC001610730414 1019726263 /nfs/dbraw/zinc/72/62/63/1019726263.db2.gz ZBASCBOSSVJUAW-JTQLQIEISA-N -1 0 307.368 -0.346 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1S(=O)(=O)c1cnc2n1CCC2 ZINC001610736359 1019726425 /nfs/dbraw/zinc/72/64/25/1019726425.db2.gz ORLJJGUEQVKOBS-KCJUWKMLSA-N -1 0 315.351 -0.572 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC001610737989 1019727983 /nfs/dbraw/zinc/72/79/83/1019727983.db2.gz MOZUIIBYCLMCJB-ZJUUUORDSA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CCO1 ZINC001610746641 1019729196 /nfs/dbraw/zinc/72/91/96/1019729196.db2.gz WHKIGTJYDXXKCW-HTQZYQBOSA-N -1 0 324.255 -0.148 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)NN1CCCNC1=O ZINC001610743660 1019729556 /nfs/dbraw/zinc/72/95/56/1019729556.db2.gz KIJSBFOROKZGEQ-DTWKUNHWSA-N -1 0 305.356 -0.121 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cccc2[nH]c(=O)oc21 ZINC001610761943 1019730233 /nfs/dbraw/zinc/73/02/33/1019730233.db2.gz NFOWXKZIXWCOKD-VIFPVBQESA-N -1 0 319.273 -0.051 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCCc2ccncc2)CCO1 ZINC001610762805 1019730997 /nfs/dbraw/zinc/73/09/97/1019730997.db2.gz JEBAKXLMQBMTIN-LBPRGKRZSA-N -1 0 321.333 -0.558 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)[C@@H](O)C2CCOCC2)CCCOC1 ZINC001610755979 1019731173 /nfs/dbraw/zinc/73/11/73/1019731173.db2.gz CXTWNDCQMYSJCL-GXTWGEPZSA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)CCCN2C(=O)CNC2=O)CCOC1 ZINC001610755743 1019731340 /nfs/dbraw/zinc/73/13/40/1019731340.db2.gz KXVHFXPPBFUWBP-CYBMUJFWSA-N -1 0 313.310 -0.932 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CSc1nncs1 ZINC001610759686 1019731830 /nfs/dbraw/zinc/73/18/30/1019731830.db2.gz CMZJKLWPIYLHEP-LURJTMIESA-N -1 0 316.364 -0.568 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)CCO1 ZINC001610762390 1019732357 /nfs/dbraw/zinc/73/23/57/1019732357.db2.gz DSEXDLRNDJUENA-WYUUTHIRSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])CCCC(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC001610767254 1019734849 /nfs/dbraw/zinc/73/48/49/1019734849.db2.gz GGQSMENKXNWDSU-UHFFFAOYSA-N -1 0 300.311 -0.477 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc3n[nH]c(=O)n3c2)CCO1 ZINC001610764216 1019734950 /nfs/dbraw/zinc/73/49/50/1019734950.db2.gz QLSSFAJHPAYFIB-SECBINFHSA-N -1 0 306.278 -0.249 20 0 DBADRM O=C([O-])CCCCCS(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC001610768258 1019735217 /nfs/dbraw/zinc/73/52/17/1019735217.db2.gz SIXCXBXBGBZIOZ-JTQLQIEISA-N -1 0 319.383 -0.329 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)N1CCSCC1 ZINC001610780142 1019736499 /nfs/dbraw/zinc/73/64/99/1019736499.db2.gz ZLQOHUPANGGZII-UHFFFAOYSA-N -1 0 317.411 -0.126 20 0 DBADRM O=C([O-])COCC(=O)OCC(=O)NC(=O)c1cccs1 ZINC001610785807 1019736885 /nfs/dbraw/zinc/73/68/85/1019736885.db2.gz WOXOPJQEUWPZCB-UHFFFAOYSA-N -1 0 301.276 -0.351 20 0 DBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)c1 ZINC001610788776 1019737397 /nfs/dbraw/zinc/73/73/97/1019737397.db2.gz NZALDJBVKATHNX-PJXYFTJBSA-N -1 0 320.301 -0.151 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC001610782371 1019737471 /nfs/dbraw/zinc/73/74/71/1019737471.db2.gz ZBVKRACRMMYLJX-JTQLQIEISA-N -1 0 306.274 -0.915 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1 ZINC001610782988 1019737588 /nfs/dbraw/zinc/73/75/88/1019737588.db2.gz CJOOHRSBTNAXIU-LLVKDONJSA-N -1 0 319.317 -0.353 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC001610784072 1019737866 /nfs/dbraw/zinc/73/78/66/1019737866.db2.gz SVPSJAOOMCXXMT-UHFFFAOYSA-N -1 0 306.274 -0.532 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)[C@H]2CC(c3cccnc3)=NO2)n[nH]1 ZINC001610797982 1019739691 /nfs/dbraw/zinc/73/96/91/1019739691.db2.gz WJWGDVOPSZLNJV-SECBINFHSA-N -1 0 316.277 -0.042 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCO[C@@]3(CCCOC3)C2)C(=O)O1 ZINC001610802308 1019739816 /nfs/dbraw/zinc/73/98/16/1019739816.db2.gz CPMFXAKBWMJADN-GWCFXTLKSA-N -1 0 300.311 -0.269 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C[C@@H]21 ZINC001610802953 1019740177 /nfs/dbraw/zinc/74/01/77/1019740177.db2.gz HLEKMNOHSFVAND-RNFDROQYSA-N -1 0 318.329 -0.273 20 0 DBADRM O=C([O-])c1ccc(NC(=O)N2CCCS(=O)(=O)CC2)nn1 ZINC001610834399 1019741239 /nfs/dbraw/zinc/74/12/39/1019741239.db2.gz RSYGNJLTPJORNF-UHFFFAOYSA-N -1 0 314.323 -0.173 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC(F)(F)C[C@@H]2CO)nn1 ZINC001610858769 1019741448 /nfs/dbraw/zinc/74/14/48/1019741448.db2.gz AYVXUJLZNMSOAJ-SSDOTTSWSA-N -1 0 319.268 -0.612 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H](O)C2)c(F)c1 ZINC001610839161 1019741565 /nfs/dbraw/zinc/74/15/65/1019741565.db2.gz VSIBEQLPMNLBCV-DTORHVGOSA-N -1 0 319.310 -0.360 20 0 DBADRM O=C([O-])c1ccc(C(=O)N(CCO)CCN2CCOCC2)[nH]1 ZINC001610820846 1019741838 /nfs/dbraw/zinc/74/18/38/1019741838.db2.gz ZJOHWDIIIRAKIP-UHFFFAOYSA-N -1 0 311.338 -0.520 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)CCn3cncn3)C2)nn1 ZINC001610857579 1019742779 /nfs/dbraw/zinc/74/27/79/1019742779.db2.gz YGGCEBNGQHXCEI-VIFPVBQESA-N -1 0 305.298 -0.569 20 0 DBADRM O=C([O-])c1ccc(F)cc1S(=O)(=O)N1C[C@H](O)C[C@H](O)C1 ZINC001610831569 1019743222 /nfs/dbraw/zinc/74/32/22/1019743222.db2.gz KDSVGOCTHAREHT-DTORHVGOSA-N -1 0 319.310 -0.360 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)nn1 ZINC001610860798 1019744044 /nfs/dbraw/zinc/74/40/44/1019744044.db2.gz UTORYIFTGICVBR-VXNVDRBHSA-N -1 0 322.243 -0.110 20 0 DBADRM O=C([O-])c1ccc(OC[C@@H](O)CN2CC3(C2)CNC(=O)O3)cc1 ZINC001610886219 1019745602 /nfs/dbraw/zinc/74/56/02/1019745602.db2.gz FFKHPNUGNVIHKF-NSHDSACASA-N -1 0 322.317 -0.081 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CC(=O)N(CC(F)(F)F)C2)cn1 ZINC001610860424 1019746025 /nfs/dbraw/zinc/74/60/25/1019746025.db2.gz GJIJZFDPLSIGMT-UHFFFAOYSA-N -1 0 318.211 -0.021 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC001610883238 1019747059 /nfs/dbraw/zinc/74/70/59/1019747059.db2.gz AOKXQSLKMBQZRA-QWRGUYRKSA-N -1 0 320.301 -0.933 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC001610883586 1019747365 /nfs/dbraw/zinc/74/73/65/1019747365.db2.gz NUKRELATALOWLD-LLVKDONJSA-N -1 0 308.290 -0.488 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)NCC2(CO)COC2)c1 ZINC001610865569 1019747535 /nfs/dbraw/zinc/74/75/35/1019747535.db2.gz IOPSLESVLSASMK-UHFFFAOYSA-N -1 0 302.308 -0.933 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC001610882546 1019748066 /nfs/dbraw/zinc/74/80/66/1019748066.db2.gz JHPYCVXPMJGNRF-LBPRGKRZSA-N -1 0 313.331 -0.071 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC001610920768 1019749323 /nfs/dbraw/zinc/74/93/23/1019749323.db2.gz YVPXCGRNPOUHAT-SNVBAGLBSA-N -1 0 308.338 -0.153 20 0 DBADRM O=C([O-])C1(CNC(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC001610886877 1019750180 /nfs/dbraw/zinc/75/01/80/1019750180.db2.gz ISWYBZVUWNCESE-UHFFFAOYSA-N -1 0 318.333 -0.388 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC001610920497 1019750585 /nfs/dbraw/zinc/75/05/85/1019750585.db2.gz KFQCHJLHTKEELM-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])c1C ZINC001610887828 1019750779 /nfs/dbraw/zinc/75/07/79/1019750779.db2.gz RAGZSTORUHAGAO-NSHDSACASA-N -1 0 305.356 -0.366 20 0 DBADRM O=C([O-])c1c(F)cccc1NC(=O)C(=O)N1CCNC(=O)C1 ZINC001610886606 1019751375 /nfs/dbraw/zinc/75/13/75/1019751375.db2.gz YIZJQDZNEFJCAG-UHFFFAOYSA-N -1 0 309.253 -0.579 20 0 DBADRM C[C@]1(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)CCOC1=O ZINC001575849439 1019751532 /nfs/dbraw/zinc/75/15/32/1019751532.db2.gz HGNUTTXFNZLSBC-NSHDSACASA-N -1 0 324.322 -0.754 20 0 DBADRM CN(C[C@H](O)CO)C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001610939097 1019752204 /nfs/dbraw/zinc/75/22/04/1019752204.db2.gz UHVOEPGEOBNJAW-NSHDSACASA-N -1 0 310.306 -0.936 20 0 DBADRM COC(=O)NCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001610972578 1019752802 /nfs/dbraw/zinc/75/28/02/1019752802.db2.gz WGQMONFOMNAROJ-UHFFFAOYSA-N -1 0 323.305 -0.276 20 0 DBADRM CNC(=O)CCCN(C)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001610956182 1019752817 /nfs/dbraw/zinc/75/28/17/1019752817.db2.gz BRDVXIFFUISLOH-CQSZACIVSA-N -1 0 313.354 -0.706 20 0 DBADRM COC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)C(=O)[O-])CC2)nn1 ZINC001610981670 1019753526 /nfs/dbraw/zinc/75/35/26/1019753526.db2.gz ZSNIHEDOFSBKFJ-SECBINFHSA-N -1 0 322.321 -0.368 20 0 DBADRM COC(=O)[C@]12CN(C(=O)CSCC(=O)[O-])C[C@H]1COCC2 ZINC001610972503 1019753953 /nfs/dbraw/zinc/75/39/53/1019753953.db2.gz QGNJPKNSSPHPPT-TVQRCGJNSA-N -1 0 317.363 -0.158 20 0 DBADRM COCC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001611000447 1019754676 /nfs/dbraw/zinc/75/46/76/1019754676.db2.gz ONUJYQFEVJDKES-VIFPVBQESA-N -1 0 310.306 -0.163 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CCO1 ZINC001611000255 1019755053 /nfs/dbraw/zinc/75/50/53/1019755053.db2.gz IZXMJRAWUALQDP-ZJUUUORDSA-N -1 0 302.327 -0.961 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CCO1 ZINC001611000248 1019755325 /nfs/dbraw/zinc/75/53/25/1019755325.db2.gz IZXMJRAWUALQDP-UWVGGRQHSA-N -1 0 302.327 -0.961 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cnn(Cc2cccnc2)c1 ZINC001611047008 1019755429 /nfs/dbraw/zinc/75/54/29/1019755429.db2.gz BMCXMAHGUJDSPU-UHFFFAOYSA-N -1 0 315.293 -0.032 20 0 DBADRM COc1nc(C)cc(C)c1CNC(=O)C(=O)NCCC(=O)[O-] ZINC001611074841 1019755728 /nfs/dbraw/zinc/75/57/28/1019755728.db2.gz QXNSWLIBHBTVEL-UHFFFAOYSA-N -1 0 309.322 -0.086 20 0 DBADRM COc1c(C)cnc(CNC(=O)C(=O)NCCC(=O)[O-])c1C ZINC001611023886 1019755747 /nfs/dbraw/zinc/75/57/47/1019755747.db2.gz DPIDMYSMUOCLCR-UHFFFAOYSA-N -1 0 309.322 -0.086 20 0 DBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)N(C)CCC(=O)[O-] ZINC001611012082 1019756015 /nfs/dbraw/zinc/75/60/15/1019756015.db2.gz ADMBRVZHAQKMRC-QWRGUYRKSA-N -1 0 304.343 -0.077 20 0 DBADRM COCc1cccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001611019399 1019756781 /nfs/dbraw/zinc/75/67/81/1019756781.db2.gz VPKHAZUOLLGEPS-LBPRGKRZSA-N -1 0 303.336 -0.053 20 0 DBADRM COc1cc(-c2noc(CN3CCO[C@@H](C(=O)[O-])C3)n2)ncn1 ZINC001611024070 1019756963 /nfs/dbraw/zinc/75/69/63/1019756963.db2.gz SVUDDVCYCSXPBX-SECBINFHSA-N -1 0 321.293 -0.179 20 0 DBADRM COc1cc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)nn1C ZINC001611033575 1019757019 /nfs/dbraw/zinc/75/70/19/1019757019.db2.gz ZKGPFYWBCLPMIG-CYBMUJFWSA-N -1 0 310.310 -0.310 20 0 DBADRM Cc1nccn1CCCN(C)C(=O)C(=O)N(C)CCC(=O)[O-] ZINC001611249964 1019758274 /nfs/dbraw/zinc/75/82/74/1019758274.db2.gz OUQUYXQNPCDIHV-UHFFFAOYSA-N -1 0 310.354 -0.027 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001611194700 1019758478 /nfs/dbraw/zinc/75/84/78/1019758478.db2.gz FZBSZPSPXYQNSX-IAQYHMDHSA-N -1 0 324.333 -0.780 20 0 DBADRM C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)[O-] ZINC001611113287 1019758749 /nfs/dbraw/zinc/75/87/49/1019758749.db2.gz QDXJQHJXTVJLIP-VIFPVBQESA-N -1 0 315.351 -0.013 20 0 DBADRM Cn1nc(CNC(=O)C(=O)NCCC(=O)[O-])c2ccccc21 ZINC001611286323 1019760246 /nfs/dbraw/zinc/76/02/46/1019760246.db2.gz WGQPCFRFZPRODE-UHFFFAOYSA-N -1 0 304.306 -0.220 20 0 DBADRM Nc1nccc([C@H]2CCCN(C(=O)[C@H]3CC(C(=O)[O-])=NO3)C2)n1 ZINC001611313694 1019760375 /nfs/dbraw/zinc/76/03/75/1019760375.db2.gz IAKJFNWQYDBZRO-GZMMTYOYSA-N -1 0 319.321 -0.006 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCS(=O)(=O)CC(=O)[O-] ZINC001611304973 1019761481 /nfs/dbraw/zinc/76/14/81/1019761481.db2.gz ZHUCFQQUFPLDEM-KKZNHRDASA-N -1 0 304.368 -0.928 20 0 DBADRM Cn1cc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c(C2CC2)n1 ZINC001611277433 1019761786 /nfs/dbraw/zinc/76/17/86/1019761786.db2.gz CGVJKLBGIJRUNV-ZDUSSCGKSA-N -1 0 310.310 -0.812 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCS(=O)(=O)CC(=O)[O-] ZINC001611304974 1019761906 /nfs/dbraw/zinc/76/19/06/1019761906.db2.gz ZHUCFQQUFPLDEM-NGZCFLSTSA-N -1 0 304.368 -0.928 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cnc2[nH]ccc2c1 ZINC001611401542 1019762848 /nfs/dbraw/zinc/76/28/48/1019762848.db2.gz HYSXVSWQMXQZBU-SNVBAGLBSA-N -1 0 323.330 -0.162 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CC(=O)N(CCC(F)(F)F)C2)C1 ZINC001611361796 1019763847 /nfs/dbraw/zinc/76/38/47/1019763847.db2.gz HPQPTEXSIXDGCL-SSDOTTSWSA-N -1 0 323.227 -0.203 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc2n[nH]nc21 ZINC001611401503 1019763884 /nfs/dbraw/zinc/76/38/84/1019763884.db2.gz GYESMBPHWMSDCL-SECBINFHSA-N -1 0 324.318 -0.718 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CCO)CCO1 ZINC001611387113 1019763971 /nfs/dbraw/zinc/76/39/71/1019763971.db2.gz NXFJTLUZHADXQX-GHMZBOCLSA-N -1 0 314.338 -0.938 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(O)cc1 ZINC001611401364 1019764422 /nfs/dbraw/zinc/76/44/22/1019764422.db2.gz CIDHFYGIMABACL-LLVKDONJSA-N -1 0 313.331 -0.355 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(O)cc1 ZINC001611401373 1019764812 /nfs/dbraw/zinc/76/48/12/1019764812.db2.gz CIDHFYGIMABACL-NSHDSACASA-N -1 0 313.331 -0.355 20 0 DBADRM O=C([O-])CCC(=O)OCC(=O)N1CCC2(CC1)OCCO2 ZINC001611421573 1019766236 /nfs/dbraw/zinc/76/62/36/1019766236.db2.gz MKWJNYBCEHTHMO-UHFFFAOYSA-N -1 0 301.295 -0.240 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1C(=O)c2ccc(F)cc2C1=O ZINC001611488626 1019766255 /nfs/dbraw/zinc/76/62/55/1019766255.db2.gz RYTKWEUTUNNNNX-UHFFFAOYSA-N -1 0 315.278 -0.079 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCCC(=O)Nc1ccccc1 ZINC001611443249 1019766689 /nfs/dbraw/zinc/76/66/89/1019766689.db2.gz LJVJQRCZXOGPAD-UHFFFAOYSA-N -1 0 307.306 -0.278 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC001611443215 1019766878 /nfs/dbraw/zinc/76/68/78/1019766878.db2.gz HMGOZUFWYWAXDN-SNVBAGLBSA-N -1 0 306.322 -0.633 20 0 DBADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)C1 ZINC001611426122 1019767566 /nfs/dbraw/zinc/76/75/66/1019767566.db2.gz WDSTZOSKBMAKKD-MQIPJXDCSA-N -1 0 324.377 -0.069 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1nccnc1Cl ZINC001611575447 1019770585 /nfs/dbraw/zinc/77/05/85/1019770585.db2.gz CIAQSBLBRGDIGE-UHFFFAOYSA-N -1 0 306.731 -0.674 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCn1cnc2ccccc2c1=O ZINC001616310891 1019778813 /nfs/dbraw/zinc/77/88/13/1019778813.db2.gz HCRRJVDHQOGBSF-UHFFFAOYSA-N -1 0 304.306 -0.420 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1nc(S(C)(=O)=O)ccc1Cl ZINC001616310756 1019779529 /nfs/dbraw/zinc/77/95/29/1019779529.db2.gz DSDFNAJPYWFUSR-UHFFFAOYSA-N -1 0 321.742 -0.454 20 0 DBADRM COC(=O)CSCCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001616422058 1019781331 /nfs/dbraw/zinc/78/13/31/1019781331.db2.gz UJMVAAKYKJXTGU-UHFFFAOYSA-N -1 0 306.369 -0.375 20 0 DBADRM O=C(CNC(=O)c1ncccc1O)NCCc1n[n-]c(=S)o1 ZINC001617079528 1019783934 /nfs/dbraw/zinc/78/39/34/1019783934.db2.gz HWFRUORBQYGZHL-UHFFFAOYSA-N -1 0 323.334 -0.452 20 0 DBADRM CCn1cc(C(=O)C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cn1 ZINC001617702557 1019788489 /nfs/dbraw/zinc/78/84/89/1019788489.db2.gz ADXVGCQCNGBSDO-UHFFFAOYSA-N -1 0 319.325 -0.891 20 0 DBADRM O=C(/C=C\C1CCOCC1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001617703947 1019789604 /nfs/dbraw/zinc/78/96/04/1019789604.db2.gz ZEPJECQZHQJXRW-UPHRSURJSA-N -1 0 307.354 -0.008 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1c(C)nn(C)c1-n1cc(C)cn1 ZINC001618153831 1019791578 /nfs/dbraw/zinc/79/15/78/1019791578.db2.gz OMWFBNAVWDQKDL-UHFFFAOYSA-N -1 0 306.326 -0.370 20 0 DBADRM CO[N-]C(=O)CNC(=O)CSc1nnnn1C1CCCC1 ZINC001618153377 1019792586 /nfs/dbraw/zinc/79/25/86/1019792586.db2.gz HYHIJRFIRACDOW-UHFFFAOYSA-N -1 0 314.371 -0.326 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N(C)CCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001576075506 1019805719 /nfs/dbraw/zinc/80/57/19/1019805719.db2.gz GMEKJWYCDZJWKQ-VHSXEESVSA-N -1 0 316.369 -0.005 20 0 DBADRM C[C@H]1C[C@@H]1CNC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576097681 1019809365 /nfs/dbraw/zinc/80/93/65/1019809365.db2.gz QJZBPSMEOVJWNL-JGVFFNPUSA-N -1 0 319.325 -0.709 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](C)CN1CCO ZINC001576290462 1019834215 /nfs/dbraw/zinc/83/42/15/1019834215.db2.gz JPZBVALAXKWZMD-ZJUUUORDSA-N -1 0 319.369 -0.278 20 0 DBADRM C/C=C(\C)C(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001576398546 1019846759 /nfs/dbraw/zinc/84/67/59/1019846759.db2.gz KJLQROFTJUCGKX-RUDMXATFSA-N -1 0 302.342 -0.085 20 0 DBADRM CCC(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576407582 1019847699 /nfs/dbraw/zinc/84/76/99/1019847699.db2.gz YUVLYJJXVVYFTB-DTWKUNHWSA-N -1 0 302.342 -0.253 20 0 DBADRM CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576426040 1019848274 /nfs/dbraw/zinc/84/82/74/1019848274.db2.gz WPWPJBJIFZBVEJ-JDICNCQASA-N -1 0 315.337 -0.209 20 0 DBADRM CCC(=O)N1C[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2C1 ZINC001576424820 1019848452 /nfs/dbraw/zinc/84/84/52/1019848452.db2.gz GTTMNZBAFCWYCB-AOOOYVTPSA-N -1 0 314.353 -0.039 20 0 DBADRM CCC(=O)N[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001576445108 1019850537 /nfs/dbraw/zinc/85/05/37/1019850537.db2.gz OYSFGNAVXKEVRG-IUCAKERBSA-N -1 0 318.341 -0.878 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@@](C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001506469841 1019851366 /nfs/dbraw/zinc/85/13/66/1019851366.db2.gz MEMWKVQRGLOIKM-UINNMSKDSA-N -1 0 323.353 -0.548 20 0 DBADRM CC[C@](C)(NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C)C(N)=O ZINC001576555829 1019864924 /nfs/dbraw/zinc/86/49/24/1019864924.db2.gz GOSUJXWIURPJAE-ZDUSSCGKSA-N -1 0 319.325 -0.340 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001576582611 1019869901 /nfs/dbraw/zinc/86/99/01/1019869901.db2.gz TVXJOYAUWGJSNE-RKDXNWHRSA-N -1 0 320.357 -0.986 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)Cn1cc(-c2nnn[n-]2)nn1)C(=O)OC ZINC001576610491 1019873206 /nfs/dbraw/zinc/87/32/06/1019873206.db2.gz JMNJYIVACCOOAT-OIBJUYFYSA-N -1 0 322.329 -0.838 20 0 DBADRM C[C@@H](NC(=O)Cc1ccn(C)n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001506621882 1019875622 /nfs/dbraw/zinc/87/56/22/1019875622.db2.gz MBVPOAOHPVGHEM-SECBINFHSA-N -1 0 319.369 -0.577 20 0 DBADRM CC[C@@H](C[C@@H](C)O)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001576704048 1019879470 /nfs/dbraw/zinc/87/94/70/1019879470.db2.gz CUUNSBHNWFCLMJ-BDAKNGLRSA-N -1 0 323.361 -0.693 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001506659630 1019882915 /nfs/dbraw/zinc/88/29/15/1019882915.db2.gz RRVBTXHWHZCQJE-QMMMGPOBSA-N -1 0 324.385 -0.639 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C/C=C\Cl)C1 ZINC001506672811 1019886306 /nfs/dbraw/zinc/88/63/06/1019886306.db2.gz VVHVUBVEHMWESE-YAJNLLPGSA-N -1 0 315.761 -0.122 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H](C)OC)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001576772444 1019886326 /nfs/dbraw/zinc/88/63/26/1019886326.db2.gz BFIFQQYPEMYHRP-BDAKNGLRSA-N -1 0 320.357 -0.580 20 0 DBADRM CC[C@@H](CNC(=O)CCOC)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001576815661 1019895409 /nfs/dbraw/zinc/89/54/09/1019895409.db2.gz QQPMATPUBJBNFF-VIFPVBQESA-N -1 0 320.357 -0.578 20 0 DBADRM CC[C@@H](NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C1CC1 ZINC001576975809 1019972742 /nfs/dbraw/zinc/97/27/42/1019972742.db2.gz PKIZDBULTTUKKA-SECBINFHSA-N -1 0 319.325 -0.566 20 0 DBADRM CC[C@@H](OC)C(=O)NC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001577017403 1019984489 /nfs/dbraw/zinc/98/44/89/1019984489.db2.gz CHJVHTKSLALVTO-DTWKUNHWSA-N -1 0 320.357 -0.580 20 0 DBADRM CCC1(CNC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC1 ZINC001577110356 1020004025 /nfs/dbraw/zinc/00/40/25/1020004025.db2.gz LSHFNWZNWXGOAY-UHFFFAOYSA-N -1 0 319.325 -0.565 20 0 DBADRM CCC[C@@H](CC)NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001577319555 1020051173 /nfs/dbraw/zinc/05/11/73/1020051173.db2.gz REUCHZMTVRITQR-MRVPVSSYSA-N -1 0 321.341 -0.176 20 0 DBADRM CCC[C@H](CNC(=O)NCCn1cnc(-c2nnn[n-]2)n1)OC ZINC001577326972 1020055208 /nfs/dbraw/zinc/05/52/08/1020055208.db2.gz XDTIJJZLSMGWGY-SECBINFHSA-N -1 0 323.361 -0.428 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)CCCc2cn[nH]n2)c1[O-] ZINC001577518398 1020074191 /nfs/dbraw/zinc/07/41/91/1020074191.db2.gz GRBWQXHNSNZNCB-UHFFFAOYSA-N -1 0 321.341 -0.589 20 0 DBADRM CCCN(CC(C)(C)O)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001577575810 1020081571 /nfs/dbraw/zinc/08/15/71/1020081571.db2.gz AAMSWHKUFNSOQE-UHFFFAOYSA-N -1 0 323.357 -0.759 20 0 DBADRM CCCN(CCNC(=O)COC)c1nccnc1-c1nn[nH]n1 ZINC001577609263 1020085942 /nfs/dbraw/zinc/08/59/42/1020085942.db2.gz SROOUXWITQZVDG-UHFFFAOYSA-N -1 0 320.357 -0.364 20 0 DBADRM CCCc1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)no1 ZINC001577729904 1020113940 /nfs/dbraw/zinc/11/39/40/1020113940.db2.gz NPBVXQVWMDFCIE-UHFFFAOYSA-N -1 0 317.313 -0.171 20 0 DBADRM CC(=O)N(CCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001577769576 1020119240 /nfs/dbraw/zinc/11/92/40/1020119240.db2.gz PLUBHKIVIBAGBT-UHFFFAOYSA-N -1 0 323.353 -0.267 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)[N-]CC(F)(F)CN)CC1 ZINC001577945226 1020151227 /nfs/dbraw/zinc/15/12/27/1020151227.db2.gz BVOMRUPRFBYWRK-UHFFFAOYSA-N -1 0 300.327 -0.014 20 0 DBADRM CCN(CCNc1cccc(F)c1-c1nn[nH]n1)C(=O)C(N)=O ZINC001578127650 1020190695 /nfs/dbraw/zinc/19/06/95/1020190695.db2.gz DJEXMJSSNXAQPT-UHFFFAOYSA-N -1 0 321.316 -0.249 20 0 DBADRM C[C@@H](C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)C(F)(F)F ZINC001507222363 1020203212 /nfs/dbraw/zinc/20/32/12/1020203212.db2.gz OVDVHAUZOITKHH-NTSWFWBYSA-N -1 0 311.264 -0.725 20 0 DBADRM CCNC(=O)CNC(=O)Nc1cnc(OC)c(-c2nn[nH]n2)c1 ZINC001578237310 1020203994 /nfs/dbraw/zinc/20/39/94/1020203994.db2.gz FWFOPQCWUACLGD-UHFFFAOYSA-N -1 0 320.313 -0.472 20 0 DBADRM CCOC(=O)C[C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001578245058 1020206605 /nfs/dbraw/zinc/20/66/05/1020206605.db2.gz ASMOYSCZHCJSQB-ZCFIWIBFSA-N -1 0 323.313 -0.580 20 0 DBADRM CCOCC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001578341608 1020215198 /nfs/dbraw/zinc/21/51/98/1020215198.db2.gz YHTSRKNQKMIXNF-VIFPVBQESA-N -1 0 320.357 -0.626 20 0 DBADRM CCOCC(=O)N[C@@H](C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001578354771 1020218323 /nfs/dbraw/zinc/21/83/23/1020218323.db2.gz LFGSLQJMWAPXAS-VIFPVBQESA-N -1 0 320.357 -0.578 20 0 DBADRM CCOCC(=O)NC[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001578358645 1020218694 /nfs/dbraw/zinc/21/86/94/1020218694.db2.gz NBFVLZQFBKGMHM-VIFPVBQESA-N -1 0 320.357 -0.721 20 0 DBADRM CCOCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001578364720 1020221464 /nfs/dbraw/zinc/22/14/64/1020221464.db2.gz DRHBCWZDFQIHTO-KYZUINATSA-N -1 0 318.341 -0.826 20 0 DBADRM CCOCC(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nc1 ZINC001578360572 1020222420 /nfs/dbraw/zinc/22/24/20/1020222420.db2.gz IPFZLBMRERGMQG-JTQLQIEISA-N -1 0 321.341 -0.813 20 0 DBADRM CCOCCC(=O)NC[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001578373478 1020225314 /nfs/dbraw/zinc/22/53/14/1020225314.db2.gz CSQBPSDYXDPBQQ-VIFPVBQESA-N -1 0 320.357 0.000 20 0 DBADRM CCc1nnc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)s1 ZINC001578700003 1020285639 /nfs/dbraw/zinc/28/56/39/1020285639.db2.gz FOOBOYFOKCMGFV-UHFFFAOYSA-N -1 0 320.342 -0.698 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2CCCC[C@H]2O)c1=O ZINC001578736122 1020287938 /nfs/dbraw/zinc/28/79/38/1020287938.db2.gz QOSSQLAMLNPYRD-MWLCHTKSSA-N -1 0 320.353 -0.239 20 0 DBADRM CCn1cc(CC(=O)Nc2c(-c3nn[nH]n3)c(C)nn2C)nn1 ZINC001578755534 1020290556 /nfs/dbraw/zinc/29/05/56/1020290556.db2.gz RVOSIHZAUVBDPZ-UHFFFAOYSA-N -1 0 316.329 -0.299 20 0 DBADRM CCn1ccc(CNC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001578774783 1020294034 /nfs/dbraw/zinc/29/40/34/1020294034.db2.gz JYSOUHVPOBCZHU-QMMMGPOBSA-N -1 0 316.329 -0.448 20 0 DBADRM CCn1ccc(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001578774781 1020294501 /nfs/dbraw/zinc/29/45/01/1020294501.db2.gz JYSOUHVPOBCZHU-MRVPVSSYSA-N -1 0 316.329 -0.448 20 0 DBADRM CCC(=O)NCC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001507370011 1020303689 /nfs/dbraw/zinc/30/36/89/1020303689.db2.gz SXCBRXLOMIGSTO-NXEZZACHSA-N -1 0 324.385 -0.494 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1ccc(-c2nn[nH]n2)cn1 ZINC001578838807 1020314770 /nfs/dbraw/zinc/31/47/70/1020314770.db2.gz WWFHRCJKUYCAMH-UHFFFAOYSA-N -1 0 315.301 -0.988 20 0 DBADRM CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ccccc1-c1nn[nH]n1 ZINC001578893838 1020325927 /nfs/dbraw/zinc/32/59/27/1020325927.db2.gz QLLKKQHJRWUMGO-WDEREUQCSA-N -1 0 316.321 -0.138 20 0 DBADRM CN(CCNC(=O)c1ccc[nH]1)c1ccc(-c2nn[nH]n2)nn1 ZINC001579198323 1020391400 /nfs/dbraw/zinc/39/14/00/1020391400.db2.gz SWCQLMJKQIWYRX-UHFFFAOYSA-N -1 0 313.325 -0.149 20 0 DBADRM CN(CCNC(=O)c1cnco1)c1cncc(-c2nn[nH]n2)n1 ZINC001579201548 1020391432 /nfs/dbraw/zinc/39/14/32/1020391432.db2.gz RKDRHYBMUUWAKP-UHFFFAOYSA-N -1 0 315.297 -0.489 20 0 DBADRM CN(CCNC(=O)c1cc[nH]c1)c1cncc(-c2nn[nH]n2)n1 ZINC001579195900 1020391822 /nfs/dbraw/zinc/39/18/22/1020391822.db2.gz BMUSMAWUFUDKFI-UHFFFAOYSA-N -1 0 313.325 -0.149 20 0 DBADRM CN(CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1ncccn1 ZINC001579191384 1020391900 /nfs/dbraw/zinc/39/19/00/1020391900.db2.gz GNIRQLQGUKFZPM-UHFFFAOYSA-N -1 0 313.325 -0.149 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)CC(C)(C)O ZINC001579215623 1020396240 /nfs/dbraw/zinc/39/62/40/1020396240.db2.gz WZHDISJMHMLGTD-UHFFFAOYSA-N -1 0 320.357 -0.890 20 0 DBADRM CN([C@@H]1CCC[C@H]1O)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001579266490 1020402423 /nfs/dbraw/zinc/40/24/23/1020402423.db2.gz POMJFEKGVXGLFD-RKDXNWHRSA-N -1 0 324.366 -0.204 20 0 DBADRM CNC(=O)C[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001579389203 1020438207 /nfs/dbraw/zinc/43/82/07/1020438207.db2.gz VJVCZWRSZINYFW-ZCFIWIBFSA-N -1 0 314.327 -0.737 20 0 DBADRM COC(=O)C(C)(C)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001579432302 1020452648 /nfs/dbraw/zinc/45/26/48/1020452648.db2.gz PXZWOMIWNNMYHO-UHFFFAOYSA-N -1 0 323.313 -0.723 20 0 DBADRM COC(=O)[C@@H](CF)NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579433371 1020458144 /nfs/dbraw/zinc/45/81/44/1020458144.db2.gz DVUNWMHTTQJQCT-SSDOTTSWSA-N -1 0 324.272 -0.483 20 0 DBADRM COC(=O)c1cccc(Cn2cnc(-c3nnn[n-]3)cc2=O)n1 ZINC001579487334 1020472612 /nfs/dbraw/zinc/47/26/12/1020472612.db2.gz JVZZWJJASZCXOQ-UHFFFAOYSA-N -1 0 313.277 -0.347 20 0 DBADRM COC(=O)c1cnc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)cn1 ZINC001579488930 1020475550 /nfs/dbraw/zinc/47/55/50/1020475550.db2.gz IJTLBDYEIWTZEE-UHFFFAOYSA-N -1 0 315.253 -0.581 20 0 DBADRM CO[C@H](C(=O)NCc1cncc(-c2nn[nH]n2)c1)[C@@H]1CCOC1 ZINC001579526005 1020480772 /nfs/dbraw/zinc/48/07/72/1020480772.db2.gz HVOMQWAKVGSURN-PWSUYJOCSA-N -1 0 318.337 -0.071 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[nH]n2)nn1 ZINC001579539033 1020484444 /nfs/dbraw/zinc/48/44/44/1020484444.db2.gz FIZPOVXCQYEARX-DTWKUNHWSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@H](C)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001579543877 1020484461 /nfs/dbraw/zinc/48/44/61/1020484461.db2.gz CLFGWTROGZDDRM-NXEZZACHSA-N -1 0 317.353 -0.009 20 0 DBADRM CO[C@H](C)C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579540855 1020485628 /nfs/dbraw/zinc/48/56/28/1020485628.db2.gz WJMRAXJUMWEZMK-HTQZYQBOSA-N -1 0 321.341 -0.536 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[nH]n1 ZINC001579540489 1020489124 /nfs/dbraw/zinc/48/91/24/1020489124.db2.gz RGWDRHRCYXAQDA-IUCAKERBSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@@H](C)CC(=O)NCCN(C)c1cncc(-c2nn[nH]n2)n1 ZINC001579566099 1020498388 /nfs/dbraw/zinc/49/83/88/1020498388.db2.gz DLIADDZPGQKUCG-VIFPVBQESA-N -1 0 320.357 -0.366 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001579562917 1020499470 /nfs/dbraw/zinc/49/94/70/1020499470.db2.gz ZBZBNIKRTLHHOM-DTWKUNHWSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001579562373 1020499646 /nfs/dbraw/zinc/49/96/46/1020499646.db2.gz RCGOUGQXTNBTLJ-RKDXNWHRSA-N -1 0 320.357 -0.002 20 0 DBADRM COCC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579620786 1020506297 /nfs/dbraw/zinc/50/62/97/1020506297.db2.gz ORMTWMQPTAKVMO-VIFPVBQESA-N -1 0 318.341 -0.660 20 0 DBADRM COCC(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579623414 1020507585 /nfs/dbraw/zinc/50/75/85/1020507585.db2.gz GQXPLXFVKLCPLK-WCBMZHEXSA-N -1 0 318.341 -0.438 20 0 DBADRM COCC(=O)N1C[C@H](Nc2cnc(-c3nn[nH]n3)cn2)C[C@H]1C ZINC001579622823 1020508716 /nfs/dbraw/zinc/50/87/16/1020508716.db2.gz AJAYQIHMLIHCHC-RKDXNWHRSA-N -1 0 318.341 -0.296 20 0 DBADRM COCC(=O)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001579629227 1020511771 /nfs/dbraw/zinc/51/17/71/1020511771.db2.gz ZEUVJZQRSVYKLE-DTWKUNHWSA-N -1 0 318.341 -0.874 20 0 DBADRM COCC(=O)N[C@H](CNc1ccnc(-c2nnn[n-]2)n1)C1CC1 ZINC001579632608 1020516585 /nfs/dbraw/zinc/51/65/85/1020516585.db2.gz DJSPVRYEMJGFSR-SECBINFHSA-N -1 0 318.341 -0.968 20 0 DBADRM COC[C@@H](C)C(=O)NC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001579670832 1020530666 /nfs/dbraw/zinc/53/06/66/1020530666.db2.gz URPUHLPMZAKISD-BDAKNGLRSA-N -1 0 320.357 -0.722 20 0 DBADRM COC[C@@H](C)C(=O)N[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001579678186 1020531587 /nfs/dbraw/zinc/53/15/87/1020531587.db2.gz CBZOZMGAOQHZHJ-RKDXNWHRSA-N -1 0 320.357 -0.722 20 0 DBADRM COC[C@@H](NC(=O)c1cccc(-c2nn[nH]n2)c1)c1nnn[n-]1 ZINC001579701330 1020536017 /nfs/dbraw/zinc/53/60/17/1020536017.db2.gz WZOCMYMZJHTTSY-SECBINFHSA-N -1 0 315.297 -0.503 20 0 DBADRM COC[C@H](O)CCNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579699531 1020537727 /nfs/dbraw/zinc/53/77/27/1020537727.db2.gz KRECTPOCCFLETR-MRVPVSSYSA-N -1 0 322.325 -0.597 20 0 DBADRM COC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)[nH]c1C)c1nnn[n-]1 ZINC001579697858 1020538166 /nfs/dbraw/zinc/53/81/66/1020538166.db2.gz SOXWWDZHZAYNBB-MRVPVSSYSA-N -1 0 318.301 -0.866 20 0 DBADRM CC(C)=CC(=O)N[C@@H](C)CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001579795795 1020558999 /nfs/dbraw/zinc/55/89/99/1020558999.db2.gz AGKOBNLIXWPOTH-VIFPVBQESA-N -1 0 323.353 -0.198 20 0 DBADRM COCCn1[n-]nnc1=NC(=O)c1cc(-c2nn[nH]n2)cs1 ZINC001579820324 1020565782 /nfs/dbraw/zinc/56/57/82/1020565782.db2.gz BILCAFFARHQYRL-UHFFFAOYSA-N -1 0 321.326 -0.765 20 0 DBADRM CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)c(C)n2)C[C@H]1NC(C)=O ZINC001579855840 1020575943 /nfs/dbraw/zinc/57/59/43/1020575943.db2.gz FJILVIOIANSLKR-VXGBXAGGSA-N -1 0 317.353 -0.090 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579868394 1020577616 /nfs/dbraw/zinc/57/76/16/1020577616.db2.gz WOUUEPNZGQBALR-RKDXNWHRSA-N -1 0 320.309 -0.581 20 0 DBADRM CCCC(=O)NCC1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001508404462 1020585586 /nfs/dbraw/zinc/58/55/86/1020585586.db2.gz VRLIDMZXBHAVGV-UHFFFAOYSA-N -1 0 311.342 -0.500 20 0 DBADRM C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H](C)NC(=O)C1CC1 ZINC001508436402 1020591216 /nfs/dbraw/zinc/59/12/16/1020591216.db2.gz BYKLNKSDMJKYKF-YUMQZZPRSA-N -1 0 308.338 -0.481 20 0 DBADRM C[C@@H](NC(=O)CC1CC1)[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001508457231 1020593448 /nfs/dbraw/zinc/59/34/48/1020593448.db2.gz XREHFFOPBSLIBU-BDAKNGLRSA-N -1 0 322.365 -0.091 20 0 DBADRM COc1nscc1Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC001580152777 1020656321 /nfs/dbraw/zinc/65/63/21/1020656321.db2.gz ONCUPGVBRJKZGJ-UHFFFAOYSA-N -1 0 321.322 -0.760 20 0 DBADRM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)c1cnccn1 ZINC001580308412 1020688088 /nfs/dbraw/zinc/68/80/88/1020688088.db2.gz LNQWZZUSLFMTLV-ZCFIWIBFSA-N -1 0 315.297 -0.371 20 0 DBADRM C[C@@H]1CC[C@@H](O)CN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001580315548 1020688736 /nfs/dbraw/zinc/68/87/36/1020688736.db2.gz CPTOXRZBZUFQHH-RKDXNWHRSA-N -1 0 324.366 -0.204 20 0 DBADRM C[C@@H]1CC[C@H](O)CN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001580316175 1020690726 /nfs/dbraw/zinc/69/07/26/1020690726.db2.gz XYVJHNHRTZSUOJ-BDAKNGLRSA-N -1 0 321.345 -0.987 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CC1(F)F ZINC001580414169 1020708946 /nfs/dbraw/zinc/70/89/46/1020708946.db2.gz OTWCCSKJGSVBOP-RNFRBKRXSA-N -1 0 324.295 -0.350 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)C(C)(C)C ZINC001508978640 1020713542 /nfs/dbraw/zinc/71/35/42/1020713542.db2.gz FMGAKYWLHHLHGU-ZETCQYMHSA-N -1 0 311.342 -0.094 20 0 DBADRM C[C@H]1C[C@@H](O)CN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001580447731 1020716537 /nfs/dbraw/zinc/71/65/37/1020716537.db2.gz CHMHWZWIFMAQEF-DTWKUNHWSA-N -1 0 324.366 -0.347 20 0 DBADRM CC[C@H](F)C(=O)N(C)[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001508996558 1020717255 /nfs/dbraw/zinc/71/72/55/1020717255.db2.gz WEYSVZGIKKOPMT-YUMQZZPRSA-N -1 0 317.321 -0.600 20 0 DBADRM CC[C@@H](F)C(=O)N(C)[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001508996556 1020718237 /nfs/dbraw/zinc/71/82/37/1020718237.db2.gz WEYSVZGIKKOPMT-JGVFFNPUSA-N -1 0 317.321 -0.600 20 0 DBADRM Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC001580461777 1020725742 /nfs/dbraw/zinc/72/57/42/1020725742.db2.gz IQXJOFCSLXOBBS-ZCFIWIBFSA-N -1 0 316.329 -0.108 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCCn1ccnc1 ZINC001580606562 1020762047 /nfs/dbraw/zinc/76/20/47/1020762047.db2.gz WWYYFAPVCRPDMH-UHFFFAOYSA-N -1 0 314.309 -0.098 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCCc1nnc[nH]1 ZINC001580606551 1020763236 /nfs/dbraw/zinc/76/32/36/1020763236.db2.gz WPGIMOHNVGFCOA-UHFFFAOYSA-N -1 0 315.297 -0.634 20 0 DBADRM CNC(=O)CC(=O)N1CC([C@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001509406536 1020786940 /nfs/dbraw/zinc/78/69/40/1020786940.db2.gz BNCVOQPZQZZEQT-ZETCQYMHSA-N -1 0 323.353 -0.863 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)c(NCCn2ccc(=O)[nH]c2=O)n1 ZINC001581124138 1020824228 /nfs/dbraw/zinc/82/42/28/1020824228.db2.gz ACZQPPODAPGHPB-UHFFFAOYSA-N -1 0 314.309 -0.055 20 0 DBADRM Cc1cccc(O)c1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001581244705 1020829718 /nfs/dbraw/zinc/82/97/18/1020829718.db2.gz SKMSWAALHDVMAL-UHFFFAOYSA-N -1 0 314.309 -0.098 20 0 DBADRM Cc1ccnc([C@H](C)NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC001581278445 1020830834 /nfs/dbraw/zinc/83/08/34/1020830834.db2.gz PSYADVXKBAUOLJ-QMMMGPOBSA-N -1 0 314.313 -0.566 20 0 DBADRM Cc1nc(-c2nn[nH]n2)cc(N2CC[C@H]3OCC(=O)N[C@@H]3C2)n1 ZINC001581411415 1020833599 /nfs/dbraw/zinc/83/35/99/1020833599.db2.gz ZKHCNUURZJDHPT-NXEZZACHSA-N -1 0 316.325 -0.941 20 0 DBADRM Cc1nc(-c2nn[nH]n2)cc(N2CCC[C@@H](CNC(N)=O)C2)n1 ZINC001581411284 1020833900 /nfs/dbraw/zinc/83/39/00/1020833900.db2.gz TULWJVJZFJCSLX-VIFPVBQESA-N -1 0 317.357 -0.150 20 0 DBADRM C/C=C(/C)C(=O)N(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001581499798 1020836949 /nfs/dbraw/zinc/83/69/49/1020836949.db2.gz UJHLWNHPTBZAFG-BAQGIRSFSA-N -1 0 321.337 -0.030 20 0 DBADRM Cc1nc(NCC2(S(N)(=O)=O)CCC2)cc(-c2nn[nH]n2)n1 ZINC001581512549 1020837436 /nfs/dbraw/zinc/83/74/36/1020837436.db2.gz CFRJKJFSZHLMPY-UHFFFAOYSA-N -1 0 324.370 -0.412 20 0 DBADRM Cc1nn(C)c(NC(=O)CCc2cn(C)nn2)c1-c1nn[nH]n1 ZINC001581593420 1020839278 /nfs/dbraw/zinc/83/92/78/1020839278.db2.gz BQBBSJOCHKVCDY-UHFFFAOYSA-N -1 0 316.329 -0.392 20 0 DBADRM Cc1nn(C)c(NC(=O)[C@H](C)S(C)(=O)=O)c1-c1nn[nH]n1 ZINC001581593458 1020839448 /nfs/dbraw/zinc/83/94/48/1020839448.db2.gz DOYYWHAGAPEKTK-LURJTMIESA-N -1 0 313.343 -0.720 20 0 DBADRM Cc1nn(C)cc1CC(=O)Nc1nn(C)cc1-c1nn[nH]n1 ZINC001581600910 1020839492 /nfs/dbraw/zinc/83/94/92/1020839492.db2.gz KGLVJLGMQLMXDO-UHFFFAOYSA-N -1 0 301.314 -0.177 20 0 DBADRM Cc1nnc([C@H](C)Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)o1 ZINC001581607127 1020840143 /nfs/dbraw/zinc/84/01/43/1020840143.db2.gz XZSPDWCLQRXCOU-BYPYZUCNSA-N -1 0 319.285 -0.469 20 0 DBADRM Cc1nsc(NC(=O)NCc2n[nH]c(=O)[n-]2)c1-c1nn[nH]n1 ZINC001581686445 1020841551 /nfs/dbraw/zinc/84/15/51/1020841551.db2.gz AXDOPOWSHMWSRA-UHFFFAOYSA-N -1 0 322.314 -0.223 20 0 DBADRM Cc1oncc1CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001581740387 1020842546 /nfs/dbraw/zinc/84/25/46/1020842546.db2.gz KYRYBVQAGLRZTL-UHFFFAOYSA-N -1 0 318.297 -0.827 20 0 DBADRM Cn1c(=O)[nH]c(NCc2cncc(F)c2)c(-c2nnn[n-]2)c1=O ZINC001581747422 1020843208 /nfs/dbraw/zinc/84/32/08/1020843208.db2.gz NBXIEMIAHKQSRK-UHFFFAOYSA-N -1 0 318.272 -0.188 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2CCCC[C@H]2F)n(C)c1=O ZINC001581752864 1020844845 /nfs/dbraw/zinc/84/48/45/1020844845.db2.gz BMOOLNRMPKOODA-HTQZYQBOSA-N -1 0 323.332 -0.043 20 0 DBADRM Cn1c(=O)[nH]c(SCc2ccccn2)c(-c2nnn[n-]2)c1=O ZINC001581748787 1020845282 /nfs/dbraw/zinc/84/52/82/1020845282.db2.gz UPXSPFPEDBFFBG-UHFFFAOYSA-N -1 0 317.334 -0.059 20 0 DBADRM Cn1c(=O)[nH]c(NCc2ccncc2)c(-c2nnn[n-]2)c1=O ZINC001581747786 1020845304 /nfs/dbraw/zinc/84/53/04/1020845304.db2.gz VICLJCXCSNQROM-UHFFFAOYSA-N -1 0 300.282 -0.327 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2CCC[C@@H]3C[C@@H]32)n(C)c1=O ZINC001581753338 1020846319 /nfs/dbraw/zinc/84/63/19/1020846319.db2.gz YOQNEHSHUJXNKE-HRDYMLBCSA-N -1 0 317.353 -0.135 20 0 DBADRM CCC(=O)N(C)C[C@@H](C)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001510419544 1020846800 /nfs/dbraw/zinc/84/68/00/1020846800.db2.gz OUHQHOPNXBJART-MRVPVSSYSA-N -1 0 311.342 -0.412 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001581845382 1020851059 /nfs/dbraw/zinc/85/10/59/1020851059.db2.gz BLYISRVEBYGZHY-UHFFFAOYSA-N -1 0 321.326 -0.668 20 0 DBADRM CC(=O)NCC(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001510522035 1020860284 /nfs/dbraw/zinc/86/02/84/1020860284.db2.gz FYJZKHAQESMGFD-SSDOTTSWSA-N -1 0 311.342 -0.863 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001510522043 1020860664 /nfs/dbraw/zinc/86/06/64/1020860664.db2.gz FYJZKHAQESMGFD-ZETCQYMHSA-N -1 0 311.342 -0.863 20 0 DBADRM O=C(CC1CC1)N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001581971470 1020865749 /nfs/dbraw/zinc/86/57/49/1020865749.db2.gz CBIVCFADDPWGCK-MGCOHNPYSA-N -1 0 314.353 -0.062 20 0 DBADRM O=C(CCc1nnn[n-]1)NCCc1ccc(-c2nn[nH]n2)cc1 ZINC001582079693 1020874973 /nfs/dbraw/zinc/87/49/73/1020874973.db2.gz OUKXQYNMEFARFY-UHFFFAOYSA-N -1 0 313.325 -0.329 20 0 DBADRM O=C(COc1ccccc1-c1nn[nH]n1)N1C[C@H](CO)[C@H](O)C1 ZINC001582130336 1020878794 /nfs/dbraw/zinc/87/87/94/1020878794.db2.gz SGRVZKBQUSZAOQ-MWLCHTKSSA-N -1 0 319.321 -0.943 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NC1(C2CC2)CC1 ZINC001582186085 1020883983 /nfs/dbraw/zinc/88/39/83/1020883983.db2.gz DXCGEXUJUUBJJB-UHFFFAOYSA-N -1 0 317.309 -0.812 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)Nc1nccs1 ZINC001582188041 1020884009 /nfs/dbraw/zinc/88/40/09/1020884009.db2.gz FLYSIRTYHWMUEY-UHFFFAOYSA-N -1 0 320.294 -0.776 20 0 DBADRM O=C(Cn1cccc(-c2nnn[n-]2)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC001582191585 1020884217 /nfs/dbraw/zinc/88/42/17/1020884217.db2.gz BNYIKCLRGHHEJU-QMMMGPOBSA-N -1 0 323.334 -0.968 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@]12C[C@H]1COC21CCC1 ZINC001582199582 1020885029 /nfs/dbraw/zinc/88/50/29/1020885029.db2.gz PXFSTWLLQVLBFU-ISVAXAHUSA-N -1 0 316.325 -0.714 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCC[C@]12CCCO2 ZINC001582199513 1020885074 /nfs/dbraw/zinc/88/50/74/1020885074.db2.gz MTUNPOIHEABEAP-RNCFNFMXSA-N -1 0 318.341 -0.324 20 0 DBADRM O=C(N1CC(Nc2cccc(-c3nn[nH]n3)c2)C1)C1(O)COC1 ZINC001582208161 1020886257 /nfs/dbraw/zinc/88/62/57/1020886257.db2.gz JDJPLJHAJJLTFS-UHFFFAOYSA-N -1 0 316.321 -0.749 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001582528011 1020904323 /nfs/dbraw/zinc/90/43/23/1020904323.db2.gz CGSIGQLLOVTXHX-DJLDLDEBSA-N -1 0 316.325 -0.810 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001582528847 1020905006 /nfs/dbraw/zinc/90/50/06/1020905006.db2.gz PKHMPFYXANQEDW-DJLDLDEBSA-N -1 0 319.329 -0.923 20 0 DBADRM O=C(NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)OCC1CC1 ZINC001582528496 1020905650 /nfs/dbraw/zinc/90/56/50/1020905650.db2.gz XPAVIDUCBOCNSQ-UHFFFAOYSA-N -1 0 321.297 -0.735 20 0 DBADRM O=C(NCc1nc([O-])cc(=O)[nH]1)c1cc(-c2nn[nH]n2)ccn1 ZINC001582560304 1020911200 /nfs/dbraw/zinc/91/12/00/1020911200.db2.gz BILQJNPBIYJRSG-UHFFFAOYSA-N -1 0 314.265 -0.607 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001582654817 1020916861 /nfs/dbraw/zinc/91/68/61/1020916861.db2.gz NWLCOGZHRFSWLS-UHFFFAOYSA-N -1 0 322.672 -0.093 20 0 DBADRM O=C(c1ccc(F)c(-c2nn[nH]n2)c1)N1[C@H](CO)CC[C@H]1CO ZINC001582703021 1020919478 /nfs/dbraw/zinc/91/94/78/1020919478.db2.gz DYVIOJGAMGGJHI-UWVGGRQHSA-N -1 0 321.312 -0.036 20 0 DBADRM O=S(=O)(N[C@H]1CC12CC(O)C2)c1cccnc1-c1nnn[n-]1 ZINC001582793594 1020922888 /nfs/dbraw/zinc/92/28/88/1020922888.db2.gz YLYQQDMIHSJQLP-AZOHRERUSA-N -1 0 322.350 -0.547 20 0 DBADRM O=S(=O)(N[C@@H]1CC12CC(O)C2)c1cccnc1-c1nnn[n-]1 ZINC001582793595 1020923730 /nfs/dbraw/zinc/92/37/30/1020923730.db2.gz YLYQQDMIHSJQLP-QAHKDPLZSA-N -1 0 322.350 -0.547 20 0 DBADRM O=S(=O)(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccc(-c2nnn[n-]2)o1 ZINC001582798224 1020924581 /nfs/dbraw/zinc/92/45/81/1020924581.db2.gz ZWNANKQLENNUKO-HYVHXENYSA-N -1 0 323.334 -0.086 20 0 DBADRM O=S(=O)(NCC[C@H](O)C1CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001582795372 1020925774 /nfs/dbraw/zinc/92/57/74/1020925774.db2.gz CWOBDKPOLIZDIN-QMMMGPOBSA-N -1 0 313.339 -0.101 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1CCn2ccnc21 ZINC001582801838 1020925810 /nfs/dbraw/zinc/92/58/10/1020925810.db2.gz SDJGIHASAONETL-UHFFFAOYSA-N -1 0 318.322 -0.333 20 0 DBADRM OC[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@@H](O)C1CCCCC1 ZINC001582813303 1020926870 /nfs/dbraw/zinc/92/68/70/1020926870.db2.gz ZWZGTVMFYRFZQM-PWSUYJOCSA-N -1 0 319.369 -0.207 20 0 DBADRM CO[C@@H](C)CC(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001510902412 1020937093 /nfs/dbraw/zinc/93/70/93/1020937093.db2.gz BWHZTRVBBRKGLK-CBAPKCEASA-N -1 0 314.342 -0.944 20 0 DBADRM CO[C@H](C)CC(=O)N[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001510902411 1020937346 /nfs/dbraw/zinc/93/73/46/1020937346.db2.gz BWHZTRVBBRKGLK-APPZFPTMSA-N -1 0 314.342 -0.944 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)c2cnns2)c1[O-] ZINC001583101834 1020971060 /nfs/dbraw/zinc/97/10/60/1020971060.db2.gz AYYQXELQHDLIQS-NSCUHMNNSA-N -1 0 322.350 -0.009 20 0 DBADRM O=C(NCc1cc([O-])[nH]c(=S)n1)c1cccn2nnnc12 ZINC001583369074 1020990277 /nfs/dbraw/zinc/99/02/77/1020990277.db2.gz LQNUTFFHNOXTTP-UHFFFAOYSA-N -1 0 303.307 -0.161 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H]1C ZINC001511133662 1021021181 /nfs/dbraw/zinc/02/11/81/1021021181.db2.gz BWKXXBVVWYFTAK-WPRPVWTQSA-N -1 0 323.353 -0.721 20 0 DBADRM CC(=O)NCC(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C[C@H]1C ZINC001511212723 1021030993 /nfs/dbraw/zinc/03/09/93/1021030993.db2.gz BQTGMFURTGFHCL-XCBNKYQSSA-N -1 0 323.353 -0.721 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001511272058 1021036967 /nfs/dbraw/zinc/03/69/67/1021036967.db2.gz BVMGSRCTUZTABZ-QPGUZKIZSA-N -1 0 323.353 -0.239 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2cn[nH]c2-c2cnn(C)c2)C(=O)N1C ZINC001585138935 1021046811 /nfs/dbraw/zinc/04/68/11/1021046811.db2.gz XAZUMHUVQCYBDV-SSDOTTSWSA-N -1 0 317.309 -0.263 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2cccc3c2NC(=O)CO3)C(=O)N1C ZINC001585138661 1021046844 /nfs/dbraw/zinc/04/68/44/1021046844.db2.gz SKLSZIINODSOSK-ZETCQYMHSA-N -1 0 318.289 -0.055 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2cn(C[C@H]3CCOC3)nn2)C(=O)N1C ZINC001585143862 1021047763 /nfs/dbraw/zinc/04/77/63/1021047763.db2.gz XBOVOPJHRSTTQL-RKDXNWHRSA-N -1 0 322.325 -0.758 20 0 DBADRM CC1(C)OC[C@H](/C=C\C(=O)N2CCO[C@H](c3nnn[n-]3)C2)O1 ZINC001585183088 1021049428 /nfs/dbraw/zinc/04/94/28/1021049428.db2.gz GDARWEYNPBVFQN-CMIOBCHKSA-N -1 0 309.326 -0.193 20 0 DBADRM CCCCOC(=O)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001585453614 1021058299 /nfs/dbraw/zinc/05/82/99/1021058299.db2.gz BSLKNVNCZZPCDX-UHFFFAOYSA-N -1 0 300.315 -0.071 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCn1cnc2c(C)cccc2c1=O ZINC001585637855 1021060690 /nfs/dbraw/zinc/06/06/90/1021060690.db2.gz CLKGORWYLADOLF-UHFFFAOYSA-N -1 0 318.333 -0.111 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1nnc2ccccn21 ZINC001588187110 1021087014 /nfs/dbraw/zinc/08/70/14/1021087014.db2.gz LJBUTLYETOOVJI-SSDOTTSWSA-N -1 0 303.282 -0.391 20 0 DBADRM C=CS(=O)(=O)CCC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001588474654 1021101734 /nfs/dbraw/zinc/10/17/34/1021101734.db2.gz MCBLAIICFABPQI-UHFFFAOYSA-N -1 0 305.352 -0.068 20 0 DBADRM CC(=O)N1CCC[C@@H](CNC(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC001588493712 1021106249 /nfs/dbraw/zinc/10/62/49/1021106249.db2.gz AKHFGQPTUQOZCG-NSHDSACASA-N -1 0 313.354 -0.706 20 0 DBADRM CC(=O)N1CCCC[C@H]1C(=O)NCCOCCOCC(=O)[O-] ZINC001588495869 1021106303 /nfs/dbraw/zinc/10/63/03/1021106303.db2.gz WKJHWIRXCOOMMC-LBPRGKRZSA-N -1 0 316.354 -0.379 20 0 DBADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccnc1)[C@H](C)C(=O)[O-] ZINC001588501705 1021106753 /nfs/dbraw/zinc/10/67/53/1021106753.db2.gz HUXVKDBTFZWACV-SECBINFHSA-N -1 0 322.321 -0.542 20 0 DBADRM CC(=O)N1CC[C@H](COC(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001588494996 1021107583 /nfs/dbraw/zinc/10/75/83/1021107583.db2.gz UCQOOIOYERYPPG-NSHDSACASA-N -1 0 322.317 -0.042 20 0 DBADRM CC(=O)N1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)[C@@H](C)C1 ZINC001588496528 1021107731 /nfs/dbraw/zinc/10/77/31/1021107731.db2.gz IOUHQQNSMCXNPM-JTQLQIEISA-N -1 0 321.333 -0.374 20 0 DBADRM CC(=O)NCCN(C(=O)c1c2c(nn1C)CCC2)[C@@H](C)C(=O)[O-] ZINC001588507805 1021108294 /nfs/dbraw/zinc/10/82/94/1021108294.db2.gz SLGCFUFGFUDERJ-VIFPVBQESA-N -1 0 322.365 -0.040 20 0 DBADRM CC(=O)NCCN(C(=O)C1=C[S@@](=O)CCC1)[C@@H](C)C(=O)[O-] ZINC001588506106 1021108304 /nfs/dbraw/zinc/10/83/04/1021108304.db2.gz DAIUCMFVWJUCFX-FPVGNUTFSA-N -1 0 316.379 -0.149 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc(CO)nc1)[C@H](C)C(=O)[O-] ZINC001588508486 1021108709 /nfs/dbraw/zinc/10/87/09/1021108709.db2.gz MVYVSJLAGCCJGR-SECBINFHSA-N -1 0 309.322 -0.375 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H]1CCCn2ncnc21)[C@@H](C)C(=O)[O-] ZINC001588506971 1021108896 /nfs/dbraw/zinc/10/88/96/1021108896.db2.gz XMRGTJGSTOWKNU-GXSJLCMTSA-N -1 0 323.353 -0.407 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1cncnc1)[C@H](C)C(=O)[O-] ZINC001588506056 1021109246 /nfs/dbraw/zinc/10/92/46/1021109246.db2.gz AJDHRMLWGWFDRB-SNVBAGLBSA-N -1 0 308.338 -0.153 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCNC(=O)CC1)[C@H](C)C(=O)[O-] ZINC001588506110 1021109324 /nfs/dbraw/zinc/10/93/24/1021109324.db2.gz DAMWMWKTGAZVMD-MWLCHTKSSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCCc2nn[nH]c21)[C@@H](C)C(=O)[O-] ZINC001588506716 1021109373 /nfs/dbraw/zinc/10/93/73/1021109373.db2.gz NYWLKONLNAMCOY-WPRPVWTQSA-N -1 0 323.353 -0.338 20 0 DBADRM CC(=O)NCCN(C(=O)C1=C[S@](=O)CCC1)[C@H](C)C(=O)[O-] ZINC001588506104 1021109491 /nfs/dbraw/zinc/10/94/91/1021109491.db2.gz DAIUCMFVWJUCFX-AOUSDQRYSA-N -1 0 316.379 -0.149 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001588525763 1021110173 /nfs/dbraw/zinc/11/01/73/1021110173.db2.gz CSQJWKIQXWOZRB-JQWIXIFHSA-N -1 0 321.351 -0.698 20 0 DBADRM CC(=O)OC1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC1 ZINC001588525738 1021110479 /nfs/dbraw/zinc/11/04/79/1021110479.db2.gz CCKWXBVJPOXXAX-SECBINFHSA-N -1 0 314.338 -0.280 20 0 DBADRM CC(=O)NCCN(C(=O)c1nc(C)ns1)[C@@H](C)C(=O)[O-] ZINC001588509079 1021111593 /nfs/dbraw/zinc/11/15/93/1021111593.db2.gz VOWPIBUJKODOCG-LURJTMIESA-N -1 0 300.340 -0.102 20 0 DBADRM CC(=O)NCCN(C(=O)c1nnc(C2CC2)o1)[C@H](C)C(=O)[O-] ZINC001588509067 1021111774 /nfs/dbraw/zinc/11/17/74/1021111774.db2.gz VIYBSKKJOKZPFP-SSDOTTSWSA-N -1 0 310.310 -0.002 20 0 DBADRM CC(=O)c1cc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])on1 ZINC001588528079 1021112325 /nfs/dbraw/zinc/11/23/25/1021112325.db2.gz PKSMSZFABAVVEG-JTQLQIEISA-N -1 0 302.308 -0.439 20 0 DBADRM C[C@H](C(=O)NCCOCCOCC(=O)[O-])N1CCSCC1 ZINC001588557470 1021114811 /nfs/dbraw/zinc/11/48/11/1021114811.db2.gz RWMLVGYUEDWZCI-LLVKDONJSA-N -1 0 320.411 -0.342 20 0 DBADRM C[C@H](C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)n1cncn1 ZINC001588554656 1021115431 /nfs/dbraw/zinc/11/54/31/1021115431.db2.gz TWANUJCBFUYXBV-NXEZZACHSA-N -1 0 309.326 -0.579 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)n1cncn1 ZINC001588554664 1021115478 /nfs/dbraw/zinc/11/54/78/1021115478.db2.gz TWANUJCBFUYXBV-ZJUUUORDSA-N -1 0 309.326 -0.579 20 0 DBADRM C[C@@H](C(=O)NCCOCCOCC(=O)[O-])N1CCSCC1 ZINC001588557475 1021115816 /nfs/dbraw/zinc/11/58/16/1021115816.db2.gz RWMLVGYUEDWZCI-NSHDSACASA-N -1 0 320.411 -0.342 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)S(C)(=O)=O ZINC001588554781 1021116165 /nfs/dbraw/zinc/11/61/65/1021116165.db2.gz VSGOBMPZLCOSOP-DTWKUNHWSA-N -1 0 320.367 -0.999 20 0 DBADRM C[C@H](C(=O)[O-])N(C1CC1)S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001588590872 1021116877 /nfs/dbraw/zinc/11/68/77/1021116877.db2.gz BBMONZFATVOUOE-KOLCDFICSA-N -1 0 306.384 -0.416 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC001588570600 1021117114 /nfs/dbraw/zinc/11/71/14/1021117114.db2.gz RNSOLCOLBKRULF-VHSXEESVSA-N -1 0 308.338 -0.252 20 0 DBADRM C[C@H](C(=O)[O-])N(C(=O)CN(C)S(=O)(=O)N(C)C)C1CC1 ZINC001588585059 1021117566 /nfs/dbraw/zinc/11/75/66/1021117566.db2.gz VXTUTLPOQYACEO-MRVPVSSYSA-N -1 0 307.372 -0.811 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC001588571355 1021118123 /nfs/dbraw/zinc/11/81/23/1021118123.db2.gz WVTNTBPRMAEHJI-WDSKDSINSA-N -1 0 320.289 -0.354 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001588576228 1021118385 /nfs/dbraw/zinc/11/83/85/1021118385.db2.gz PGNQHMIZMIJVOK-HLTSFMKQSA-N -1 0 302.327 -0.197 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001588618356 1021119393 /nfs/dbraw/zinc/11/93/93/1021119393.db2.gz DPQVDVFSORVALV-UHFFFAOYSA-N -1 0 307.368 -0.193 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001588610985 1021119731 /nfs/dbraw/zinc/11/97/31/1021119731.db2.gz GRAXASSQOGBGFZ-JTQLQIEISA-N -1 0 318.395 -0.572 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NC/C=C\CO)n1 ZINC001588620351 1021119802 /nfs/dbraw/zinc/11/98/02/1021119802.db2.gz QUGIQNQOFBGRKZ-ARJAWSKDSA-N -1 0 310.310 -0.694 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]2O)n1 ZINC001588619868 1021120673 /nfs/dbraw/zinc/12/06/73/1021120673.db2.gz DOXRKBIJMQOKTD-HTQZYQBOSA-N -1 0 310.310 -0.719 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)O[C@H]1CCN(CC(=O)[O-])C1=O ZINC001588630886 1021121240 /nfs/dbraw/zinc/12/12/40/1021121240.db2.gz MUQYTJCILMSHPS-VIFPVBQESA-N -1 0 314.338 -0.233 20 0 DBADRM CC(C)(C)[C@@]1(C)NC(=O)N(CCS(=O)(=O)CC(=O)[O-])C1=O ZINC001588638084 1021121405 /nfs/dbraw/zinc/12/14/05/1021121405.db2.gz AZBYQTBBNYLGQI-LBPRGKRZSA-N -1 0 320.367 -0.158 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001588636234 1021121838 /nfs/dbraw/zinc/12/18/38/1021121838.db2.gz ZJMRNXJGTWAWHV-SECBINFHSA-N -1 0 306.384 -0.259 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N[C@H]2C[C@@H](O)[C@@H](O)C2)n1 ZINC001588626676 1021122403 /nfs/dbraw/zinc/12/24/03/1021122403.db2.gz QYUHJJUNHIOKPZ-AYMMMOKOSA-N -1 0 312.326 -0.292 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N2C[C@H](O)[C@H](CO)C2)n1 ZINC001588623678 1021122487 /nfs/dbraw/zinc/12/24/87/1021122487.db2.gz PBRJXGQRCGAABO-IUCAKERBSA-N -1 0 312.326 -0.480 20 0 DBADRM CC(C)(C)N1C[C@@H](NC(=O)NCCOCC(=O)[O-])CC1=O ZINC001588658369 1021123501 /nfs/dbraw/zinc/12/35/01/1021123501.db2.gz FCYDJNFGXQNCRE-VIFPVBQESA-N -1 0 301.343 -0.214 20 0 DBADRM C=CC(=O)N(CC)CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001588654709 1021123605 /nfs/dbraw/zinc/12/36/05/1021123605.db2.gz ITUSDMYGTKBISS-JTQLQIEISA-N -1 0 311.338 -0.787 20 0 DBADRM CC(C)(C)CN(CC(=O)[O-])CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001588655712 1021124214 /nfs/dbraw/zinc/12/42/14/1021124214.db2.gz JFSWKXNABVENCM-SNVBAGLBSA-N -1 0 320.411 -0.278 20 0 DBADRM C=CC(=O)N(C)CC(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001588651304 1021124805 /nfs/dbraw/zinc/12/48/05/1021124805.db2.gz GQZRSOCVEVZYST-VHSXEESVSA-N -1 0 312.322 -0.504 20 0 DBADRM CC(C)(C)OC(=O)CS(=O)(=O)CCN1CC(C(=O)[O-])C1 ZINC001588671038 1021125434 /nfs/dbraw/zinc/12/54/34/1021125434.db2.gz WQDAIKQDWXEIFI-UHFFFAOYSA-N -1 0 307.368 -0.241 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N(C)CCN(C(=O)C(N)=O)C(C)C ZINC001511729891 1021126551 /nfs/dbraw/zinc/12/65/51/1021126551.db2.gz ZQGHCHAXHYPEAJ-UHFFFAOYSA-N -1 0 323.353 -0.715 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)OCC(=O)C(=O)[O-])C1 ZINC001588697065 1021127676 /nfs/dbraw/zinc/12/76/76/1021127676.db2.gz FDWFBAFMQWHVIW-VIFPVBQESA-N -1 0 317.294 -0.181 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC(C(=O)[O-])C1 ZINC001588709031 1021127921 /nfs/dbraw/zinc/12/79/21/1021127921.db2.gz MNTVAABHRMTPOC-VIFPVBQESA-N -1 0 302.327 -0.195 20 0 DBADRM C=CS(=O)(=O)CCC(=O)Nc1ccncc1-c1nn[nH]n1 ZINC001588716290 1021128844 /nfs/dbraw/zinc/12/88/44/1021128844.db2.gz BMLSGMAYJZOVSU-UHFFFAOYSA-N -1 0 308.323 -0.430 20 0 DBADRM C=CS(=O)(=O)CCC(=O)NCc1ccc(-c2nn[nH]n2)cn1 ZINC001588716591 1021128955 /nfs/dbraw/zinc/12/89/55/1021128955.db2.gz IHOZSTIWQRERHS-UHFFFAOYSA-N -1 0 322.350 -0.174 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)NCC(=O)[O-])[C@@H]2C[C@@H]21 ZINC001588694977 1021129024 /nfs/dbraw/zinc/12/90/24/1021129024.db2.gz USHBGUDRENTJSZ-ZJUUUORDSA-N -1 0 313.354 -0.119 20 0 DBADRM CC(C)(CNC(=O)Nc1ccn(CC(=O)[O-])n1)OCCO ZINC001588783279 1021130164 /nfs/dbraw/zinc/13/01/64/1021130164.db2.gz IOKWKJJILUENKD-UHFFFAOYSA-N -1 0 300.315 -0.123 20 0 DBADRM CC(C)(C)[C@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C(N)=O ZINC001588739675 1021130256 /nfs/dbraw/zinc/13/02/56/1021130256.db2.gz WZCZYXBKVZWJTM-SNVBAGLBSA-N -1 0 309.322 -0.437 20 0 DBADRM CC(C)(C)n1ncnc1CNCCS(=O)(=O)CC(=O)[O-] ZINC001588748690 1021130987 /nfs/dbraw/zinc/13/09/87/1021130987.db2.gz OTYXJEJDVODUMU-UHFFFAOYSA-N -1 0 304.372 -0.378 20 0 DBADRM CC(C)(CCS(C)(=O)=O)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001588778358 1021130996 /nfs/dbraw/zinc/13/09/96/1021130996.db2.gz NUMOVMUZDZPVER-QMMMGPOBSA-N -1 0 306.340 -0.455 20 0 DBADRM CC(C)(NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)C(=O)[O-] ZINC001588785725 1021132905 /nfs/dbraw/zinc/13/29/05/1021132905.db2.gz ILKQOYNQZASJNN-NXEZZACHSA-N -1 0 307.306 -0.063 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC001588803167 1021134229 /nfs/dbraw/zinc/13/42/29/1021134229.db2.gz NZUZDNUNIRLHDV-BIBXISHDSA-N -1 0 304.412 -0.134 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)NCCc1nnc2n1CCNC2=O ZINC001588807884 1021134380 /nfs/dbraw/zinc/13/43/80/1021134380.db2.gz JZBHZMFKIGMQPT-VIFPVBQESA-N -1 0 309.326 -0.963 20 0 DBADRM CC(C)[C@@](C)(O)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001588812516 1021134744 /nfs/dbraw/zinc/13/47/44/1021134744.db2.gz LYVIEQXEPMQGJD-HZMBPMFUSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC001588805406 1021135014 /nfs/dbraw/zinc/13/50/14/1021135014.db2.gz WKKDXDOHHGMSHX-UINNMSKDSA-N -1 0 311.338 -0.162 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC001588809783 1021135025 /nfs/dbraw/zinc/13/50/25/1021135025.db2.gz WZPKUJUNNVDMBJ-SSDOTTSWSA-N -1 0 305.312 -0.091 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC(F)(F)C[C@@H]1CO)C(=O)[O-] ZINC001588815142 1021135275 /nfs/dbraw/zinc/13/52/75/1021135275.db2.gz DISRWDPYLFWNKS-BDAKNGLRSA-N -1 0 322.308 -0.312 20 0 DBADRM CC(C)[C@H](C)NC(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001588815124 1021135422 /nfs/dbraw/zinc/13/54/22/1021135422.db2.gz CXNVPKNZFVQQDX-UWVGGRQHSA-N -1 0 306.384 -0.669 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC001588805404 1021135494 /nfs/dbraw/zinc/13/54/94/1021135494.db2.gz WKKDXDOHHGMSHX-TVLCNXBWSA-N -1 0 311.338 -0.162 20 0 DBADRM CC(C)[C@H](CNC(=O)NC[C@@]1(O)CCS(=O)(=O)C1)C(=O)[O-] ZINC001588824806 1021139663 /nfs/dbraw/zinc/13/96/63/1021139663.db2.gz DXVDMXBZJRLVTE-CABZTGNLSA-N -1 0 322.383 -0.808 20 0 DBADRM CC(C)CC(=O)N1CCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC001588844325 1021141496 /nfs/dbraw/zinc/14/14/96/1021141496.db2.gz ZLYGPDIDVHBXAX-UHFFFAOYSA-N -1 0 323.353 -0.307 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NC(C)(C)C(=O)[O-] ZINC001588843904 1021141826 /nfs/dbraw/zinc/14/18/26/1021141826.db2.gz SDNKFIOSEMBGQN-MRVPVSSYSA-N -1 0 301.343 -0.628 20 0 DBADRM C/C=C(\C)C(=O)NC1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001511966587 1021143752 /nfs/dbraw/zinc/14/37/52/1021143752.db2.gz BOACBANHKSKWMG-XBXARRHUSA-N -1 0 323.353 -0.239 20 0 DBADRM CC(C)C[C@@H](CNC(=O)NC[C@H](O)CS(C)(=O)=O)C(=O)[O-] ZINC001588852811 1021143871 /nfs/dbraw/zinc/14/38/71/1021143871.db2.gz PXOXDARQSGUGKW-UWVGGRQHSA-N -1 0 324.399 -0.562 20 0 DBADRM CC(C)CNC(=O)NC(=O)CN[C@@H](C(=O)[O-])c1ccnn1C ZINC001588875860 1021146113 /nfs/dbraw/zinc/14/61/13/1021146113.db2.gz APGOUHQQSVVKHU-LLVKDONJSA-N -1 0 311.342 -0.383 20 0 DBADRM CN1CC[C@@H](NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1=O ZINC001588869950 1021146179 /nfs/dbraw/zinc/14/61/79/1021146179.db2.gz BTIDFTUVTFIJBH-NXEZZACHSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(C)CNC(=O)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001588875904 1021146296 /nfs/dbraw/zinc/14/62/96/1021146296.db2.gz BOVXQXJVZAVHLU-SNVBAGLBSA-N -1 0 313.354 -0.802 20 0 DBADRM CN1CC[C@H](NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1=O ZINC001588869951 1021147808 /nfs/dbraw/zinc/14/78/08/1021147808.db2.gz BTIDFTUVTFIJBH-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(C)CN1C[C@H]2CN(CC(=O)NCC(=O)[O-])CCN2C1=O ZINC001588870192 1021148600 /nfs/dbraw/zinc/14/86/00/1021148600.db2.gz AIIOPXZGNQGMNL-LLVKDONJSA-N -1 0 312.370 -0.735 20 0 DBADRM CC(C)C[C@H](NS(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)[O-] ZINC001588905460 1021149772 /nfs/dbraw/zinc/14/97/72/1021149772.db2.gz DXTYMPSEYYNGAO-ASCAZGACSA-N -1 0 315.417 -0.106 20 0 DBADRM CC(C)O[C@@]1(CNC(=O)C(=O)N(C)CCC(=O)[O-])CCOC1 ZINC001588928944 1021152970 /nfs/dbraw/zinc/15/29/70/1021152970.db2.gz KFKDBMXWXLSAFF-CQSZACIVSA-N -1 0 316.354 -0.380 20 0 DBADRM CC(C)N1CCO[C@H](COC(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001588923301 1021153521 /nfs/dbraw/zinc/15/35/21/1021153521.db2.gz QSTFUDUZLDLQJJ-JTQLQIEISA-N -1 0 312.326 -0.371 20 0 DBADRM CC(C)OC(=O)COC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001588927872 1021154244 /nfs/dbraw/zinc/15/42/44/1021154244.db2.gz ICPPVEBZNFSSOJ-VIFPVBQESA-N -1 0 301.295 -0.196 20 0 DBADRM CC(C)NC(=O)CCNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001588923223 1021154922 /nfs/dbraw/zinc/15/49/22/1021154922.db2.gz LZKCRCKZIDJZHY-UHFFFAOYSA-N -1 0 322.321 -0.251 20 0 DBADRM C[C@@H](C(=O)C(C)(C)C)n1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC001588937300 1021155577 /nfs/dbraw/zinc/15/55/77/1021155577.db2.gz VOWNEVMHFUWQBJ-ZETCQYMHSA-N -1 0 306.326 -0.097 20 0 DBADRM C[C@H](C(=O)C(C)(C)C)n1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC001588937299 1021156321 /nfs/dbraw/zinc/15/63/21/1021156321.db2.gz VOWNEVMHFUWQBJ-SSDOTTSWSA-N -1 0 306.326 -0.097 20 0 DBADRM C[C@H](C(=O)N(C)c1cnn(C)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001588942561 1021156500 /nfs/dbraw/zinc/15/65/00/1021156500.db2.gz DABWNGGPYMYWRK-SSDOTTSWSA-N -1 0 302.302 -0.584 20 0 DBADRM CC(C)OC[C@H]1CN(C(=O)C(=O)NCCC(=O)[O-])CCO1 ZINC001588933245 1021156759 /nfs/dbraw/zinc/15/67/59/1021156759.db2.gz JFTCJLPDTVMWOJ-SNVBAGLBSA-N -1 0 302.327 -0.770 20 0 DBADRM C[C@@H](C(=O)N(C)CCn1cccn1)n1cnc(-c2nnn[n-]2)n1 ZINC001588942012 1021157628 /nfs/dbraw/zinc/15/76/28/1021157628.db2.gz TVIGLDKFHWQTOS-VIFPVBQESA-N -1 0 316.329 -0.626 20 0 DBADRM C/C(=C\C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-])c1cnccn1 ZINC001588937699 1021159158 /nfs/dbraw/zinc/15/91/58/1021159158.db2.gz PIZKVAWFQPAKIX-FZPLPXEFSA-N -1 0 304.306 -0.366 20 0 DBADRM C[C@@H](C(=O)N1C[C@@H](O)C(C)(C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588945751 1021159604 /nfs/dbraw/zinc/15/96/04/1021159604.db2.gz NIZIMHJSVGVWQH-JGVFFNPUSA-N -1 0 306.330 -0.752 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](CO)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588954902 1021161211 /nfs/dbraw/zinc/16/12/11/1021161211.db2.gz QODXKVJYTSHKED-RKDXNWHRSA-N -1 0 306.330 -0.750 20 0 DBADRM C[C@H](C(=O)N1CC[C@@]12CCOC2)n1cnc(-c2nnn[n-]2)n1 ZINC001588952745 1021161917 /nfs/dbraw/zinc/16/19/17/1021161917.db2.gz XVIZCLUHUWAUNG-PELKAZGASA-N -1 0 304.314 -0.589 20 0 DBADRM CC(C)[C@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001588958486 1021162086 /nfs/dbraw/zinc/16/20/86/1021162086.db2.gz DIIHXLRKHMLQBF-APPZFPTMSA-N -1 0 311.298 -0.775 20 0 DBADRM C[C@H](C(=O)N1CCCc2n[nH]cc21)n1cnc(-c2nnn[n-]2)n1 ZINC001588957612 1021164293 /nfs/dbraw/zinc/16/42/93/1021164293.db2.gz KXAJPMWKQIXVGR-SSDOTTSWSA-N -1 0 314.313 -0.278 20 0 DBADRM C/C(=C/CNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001588964463 1021166557 /nfs/dbraw/zinc/16/65/57/1021166557.db2.gz IOWCYTHOURVXQS-KSXVILFYSA-N -1 0 306.322 -0.080 20 0 DBADRM C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588977054 1021168202 /nfs/dbraw/zinc/16/82/02/1021168202.db2.gz COECGICEUXCCCB-BDAKNGLRSA-N -1 0 317.357 -0.628 20 0 DBADRM C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588964202 1021168426 /nfs/dbraw/zinc/16/84/26/1021168426.db2.gz ZSOJAZIKDFMNPR-YIZRAAEISA-N -1 0 306.330 -0.345 20 0 DBADRM C[C@@H](C(=O)N1C[C@@H]2CSC[C@@H]2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588965793 1021169146 /nfs/dbraw/zinc/16/91/46/1021169146.db2.gz LHQWUXXIEQVSQB-XHNCKOQMSA-N -1 0 320.382 -0.159 20 0 DBADRM C/C(=C\CNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001588964465 1021169183 /nfs/dbraw/zinc/16/91/83/1021169183.db2.gz IOWCYTHOURVXQS-RZCNENHTSA-N -1 0 306.322 -0.080 20 0 DBADRM C[C@@H](C[C@H](C)NC(=O)C1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001512195380 1021169322 /nfs/dbraw/zinc/16/93/22/1021169322.db2.gz JLQCPKUPRPKIOM-YUMQZZPRSA-N -1 0 311.342 -0.501 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C1(CO)CC1 ZINC001588966128 1021169312 /nfs/dbraw/zinc/16/93/12/1021169312.db2.gz VLGWFHDTLONQLL-JGVFFNPUSA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@@H](C(=O)N[C@@H](CO)C1CCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588970515 1021170267 /nfs/dbraw/zinc/17/02/67/1021170267.db2.gz KLJZXBBWAHBJOM-CBAPKCEASA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@H](C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CC1 ZINC001512195365 1021170659 /nfs/dbraw/zinc/17/06/59/1021170659.db2.gz JLQCPKUPRPKIOM-JGVFFNPUSA-N -1 0 311.342 -0.501 20 0 DBADRM C[C@@H](C(=O)N[C@@H](CCO)C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588970990 1021171318 /nfs/dbraw/zinc/17/13/18/1021171318.db2.gz SIICQUNBSNKYPA-CBAPKCEASA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@H](C(=O)N[C@H]1COC2(CCC2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588977932 1021171781 /nfs/dbraw/zinc/17/17/81/1021171781.db2.gz BIQQWDQAFPOISM-RKDXNWHRSA-N -1 0 318.341 -0.153 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCOC1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588978142 1021172857 /nfs/dbraw/zinc/17/28/57/1021172857.db2.gz NSIHNUAQZNSIIK-YUMQZZPRSA-N -1 0 306.330 -0.297 20 0 DBADRM CC(C)n1ccnc1S(=O)(=O)CCS(=O)(=O)CC(=O)[O-] ZINC001588982939 1021175019 /nfs/dbraw/zinc/17/50/19/1021175019.db2.gz GJDIAQIERQWRCJ-UHFFFAOYSA-N -1 0 324.380 -0.263 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001588983297 1021175255 /nfs/dbraw/zinc/17/52/55/1021175255.db2.gz HCARITPDUQJNKC-RKDXNWHRSA-N -1 0 306.330 -0.296 20 0 DBADRM CC(C)n1ncnc1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001588988362 1021175485 /nfs/dbraw/zinc/17/54/85/1021175485.db2.gz FLKWDTBMCXIRGR-VIFPVBQESA-N -1 0 302.356 -0.457 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCC=CO1)n1cnc(-c2nnn[n-]2)n1 ZINC001588983909 1021175504 /nfs/dbraw/zinc/17/55/04/1021175504.db2.gz SVFGVZAVTXEFNI-DTWKUNHWSA-N -1 0 304.314 -0.172 20 0 DBADRM C[C@@H](C(=O)NCC1CCC(O)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588983530 1021175771 /nfs/dbraw/zinc/17/57/71/1021175771.db2.gz LKPZDLHLKICJFS-IDKOKCKLSA-N -1 0 320.357 -0.314 20 0 DBADRM C[C@H](C(=O)NCC(=O)C1CCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001588978683 1021176140 /nfs/dbraw/zinc/17/61/40/1021176140.db2.gz IJYMNRRCUGZFNO-MRVPVSSYSA-N -1 0 318.341 -0.105 20 0 DBADRM C[C@@H](CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])n1cccn1 ZINC001588988756 1021176661 /nfs/dbraw/zinc/17/66/61/1021176661.db2.gz HVLHJFKSKNMWAC-UWVGGRQHSA-N -1 0 315.351 -0.456 20 0 DBADRM C[C@@H](C(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001588996092 1021177531 /nfs/dbraw/zinc/17/75/31/1021177531.db2.gz FMAGQDOAKWRSES-RKDXNWHRSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCC[C@@H]1O)n1cnc(-c2nnn[n-]2)n1 ZINC001588996638 1021178041 /nfs/dbraw/zinc/17/80/41/1021178041.db2.gz WEAYJBGZBTZNAN-YIZRAAEISA-N -1 0 306.330 -0.704 20 0 DBADRM C[C@@H](C(=O)NC[C@@H](O)C(F)(F)F)n1cnc(-c2nnn[n-]2)n1 ZINC001588996683 1021178650 /nfs/dbraw/zinc/17/86/50/1021178650.db2.gz YAAQLZVTBKAQBT-CRCLSJGQSA-N -1 0 320.235 -0.941 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC001588995299 1021180257 /nfs/dbraw/zinc/18/02/57/1021180257.db2.gz ZJWASQHJFNRJGR-LURJTMIESA-N -1 0 323.309 -0.726 20 0 DBADRM C[C@H](C(=O)NCc1cncn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001589000342 1021180266 /nfs/dbraw/zinc/18/02/66/1021180266.db2.gz ZCJMDGKAGKIKEW-SSDOTTSWSA-N -1 0 302.302 -0.931 20 0 DBADRM C[C@H](C(=O)NCCn1ccnc1)n1cnc(-c2nnn[n-]2)n1 ZINC001588996702 1021180458 /nfs/dbraw/zinc/18/04/58/1021180458.db2.gz YMSHHQNWMPXJCT-MRVPVSSYSA-N -1 0 302.302 -0.968 20 0 DBADRM C[C@@H](C(=O)OCC(=O)C(F)F)n1cnc(-c2nnn[n-]2)n1 ZINC001589027133 1021182127 /nfs/dbraw/zinc/18/21/27/1021182127.db2.gz LWOVJGPKRFOTCC-BYPYZUCNSA-N -1 0 301.213 -0.603 20 0 DBADRM C[C@@H](C(=O)Nc1cccn(C)c1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001589020210 1021184627 /nfs/dbraw/zinc/18/46/27/1021184627.db2.gz DYNJCQQMWVXMTH-ZETCQYMHSA-N -1 0 315.297 -0.643 20 0 DBADRM C[C@@H](C(=O)OCCN1CCC=N1)n1cnc(-c2nnn[n-]2)n1 ZINC001589031160 1021187873 /nfs/dbraw/zinc/18/78/73/1021187873.db2.gz UALHNFSGFRCPJY-QMMMGPOBSA-N -1 0 305.302 -0.746 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])C1 ZINC001589060909 1021188213 /nfs/dbraw/zinc/18/82/13/1021188213.db2.gz BRGFIISCOMXCPY-ZWNOBZJWSA-N -1 0 309.326 -0.894 20 0 DBADRM CC(=O)N1CC(C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)C1 ZINC001589057139 1021188553 /nfs/dbraw/zinc/18/85/53/1021188553.db2.gz PZSORPCUTFOVAB-UHFFFAOYSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H](C(=O)OCCCc1cn[nH]c1)n1cnc(-c2nnn[n-]2)n1 ZINC001589031333 1021189210 /nfs/dbraw/zinc/18/92/10/1021189210.db2.gz ZYGSAQPFNSGONL-QMMMGPOBSA-N -1 0 317.313 -0.082 20 0 DBADRM CC(=O)N(C)c1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001589046452 1021189659 /nfs/dbraw/zinc/18/96/59/1021189659.db2.gz LYYDKHUFGWYFCN-UHFFFAOYSA-N -1 0 307.306 -0.400 20 0 DBADRM CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@@H](C)C1 ZINC001589079366 1021190393 /nfs/dbraw/zinc/19/03/93/1021190393.db2.gz DZIGFMKBODDZCV-LSJOCFKGSA-N -1 0 311.338 -0.955 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001589087241 1021191501 /nfs/dbraw/zinc/19/15/01/1021191501.db2.gz RLKCVAPCGAKHGU-SNVBAGLBSA-N -1 0 307.306 -0.717 20 0 DBADRM CC(=O)N1CCO[C@H](C(=O)Nc2cccc(CC(=O)[O-])n2)C1 ZINC001589086606 1021191702 /nfs/dbraw/zinc/19/17/02/1021191702.db2.gz BOPRFNIWVDKUTJ-NSHDSACASA-N -1 0 307.306 -0.106 20 0 DBADRM CC(=O)N1CCC[C@H](CNS(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC001589070456 1021192363 /nfs/dbraw/zinc/19/23/63/1021192363.db2.gz LRDWINSSPOEASG-MWLCHTKSSA-N -1 0 306.384 -0.115 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)CC(=O)[O-] ZINC001589123292 1021194049 /nfs/dbraw/zinc/19/40/49/1021194049.db2.gz RWWGHFLSUKCDIV-WCBMZHEXSA-N -1 0 300.311 -0.480 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001589093795 1021194631 /nfs/dbraw/zinc/19/46/31/1021194631.db2.gz OCSHTXPWKMQNMV-CABZTGNLSA-N -1 0 302.352 -0.342 20 0 DBADRM CC(=O)N[C@H](C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)C(C)C ZINC001589100583 1021196708 /nfs/dbraw/zinc/19/67/08/1021196708.db2.gz RPROMKYDVCKXSA-PWSUYJOCSA-N -1 0 323.353 -0.090 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NCc1ccccc1C(=O)[O-] ZINC001589127911 1021198497 /nfs/dbraw/zinc/19/84/97/1021198497.db2.gz XZIJCBUUWDKEMO-UHFFFAOYSA-N -1 0 307.306 -0.747 20 0 DBADRM CC(=O)NCCCCCC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001589133062 1021198537 /nfs/dbraw/zinc/19/85/37/1021198537.db2.gz AZDRXHFKZFUHDY-LLVKDONJSA-N -1 0 313.354 -0.563 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001589127631 1021199357 /nfs/dbraw/zinc/19/93/57/1021199357.db2.gz CZVIBOXWTPBCHH-NSHDSACASA-N -1 0 313.335 -0.758 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NCc1ccc(C(=O)[O-])s1)C(N)=O ZINC001589153156 1021201037 /nfs/dbraw/zinc/20/10/37/1021201037.db2.gz PLHKZUVERGBBGB-QMMMGPOBSA-N -1 0 313.335 -0.557 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001589229154 1021202514 /nfs/dbraw/zinc/20/25/14/1021202514.db2.gz OPEHODMXLDOKRH-NSHDSACASA-N -1 0 309.340 -0.507 20 0 DBADRM CC(=O)OC(C)(C)C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001589223904 1021203069 /nfs/dbraw/zinc/20/30/69/1021203069.db2.gz CLSJRSIBZUOHAX-VIFPVBQESA-N -1 0 301.295 -0.053 20 0 DBADRM CC(=O)OCCCS(=O)(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001589228888 1021203327 /nfs/dbraw/zinc/20/33/27/1021203327.db2.gz LBOBWWNUCIMDEU-LLVKDONJSA-N -1 0 309.340 -0.650 20 0 DBADRM CC(=O)Nc1cnccc1C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001589222948 1021203657 /nfs/dbraw/zinc/20/36/57/1021203657.db2.gz GIGAKQKRRYBEOR-SNVBAGLBSA-N -1 0 323.305 -0.014 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001589228870 1021204041 /nfs/dbraw/zinc/20/40/41/1021204041.db2.gz KRJGLPLZWSNMQH-NSHDSACASA-N -1 0 323.367 -0.573 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)CCCc1nc(C)no1)C(=O)[O-] ZINC001589156654 1021204681 /nfs/dbraw/zinc/20/46/81/1021204681.db2.gz UFPVQAATDJPROX-LXGOIASLSA-N -1 0 303.340 -0.351 20 0 DBADRM CC(=O)OCCCS(=O)(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001589228889 1021205297 /nfs/dbraw/zinc/20/52/97/1021205297.db2.gz LBOBWWNUCIMDEU-NSHDSACASA-N -1 0 309.340 -0.650 20 0 DBADRM CC(=O)N[C@H](CC1CCC1)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001589165262 1021205528 /nfs/dbraw/zinc/20/55/28/1021205528.db2.gz BNFUKEBJESEDML-RWMBFGLXSA-N -1 0 312.366 -0.025 20 0 DBADRM CC(=O)c1cn(CC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)nn1 ZINC001589318760 1021206843 /nfs/dbraw/zinc/20/68/43/1021206843.db2.gz RJCMAWWQPGPSCK-JTQLQIEISA-N -1 0 323.353 -0.512 20 0 DBADRM CC(=O)c1cn(CC(=O)N[C@]2(CC(=O)[O-])CCCOC2)nn1 ZINC001589318574 1021208076 /nfs/dbraw/zinc/20/80/76/1021208076.db2.gz JOARXTJEMXILBI-ZDUSSCGKSA-N -1 0 310.310 -0.379 20 0 DBADRM CC(=O)c1cn(CC(=O)N2CCSC[C@@H]2CC(=O)[O-])nn1 ZINC001589318552 1021208793 /nfs/dbraw/zinc/20/87/93/1021208793.db2.gz ITHJBRVETHKKBS-VIFPVBQESA-N -1 0 312.351 -0.101 20 0 DBADRM CC(C)(NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1nccs1 ZINC001589316922 1021208989 /nfs/dbraw/zinc/20/89/89/1021208989.db2.gz RMEHCZHIDRKOEA-UHFFFAOYSA-N -1 0 319.354 -0.034 20 0 DBADRM CC(C)(O)[C@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001589326897 1021209432 /nfs/dbraw/zinc/20/94/32/1021209432.db2.gz NLVTXUOTWPTMRL-VIFPVBQESA-N -1 0 320.357 -0.532 20 0 DBADRM CC(=O)c1cn(C[C@@H]2CC(C(=O)[O-])=C(C)O2)c(=O)n(C)c1=O ZINC001589318482 1021210556 /nfs/dbraw/zinc/21/05/56/1021210556.db2.gz GDZFQJQDYJHBPD-VIFPVBQESA-N -1 0 308.290 -0.103 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@@H](NC(N)=O)C1 ZINC001589350733 1021212937 /nfs/dbraw/zinc/21/29/37/1021212937.db2.gz SWLRDYSFPPFIQR-MWLCHTKSSA-N -1 0 312.370 -0.559 20 0 DBADRM C[C@H](C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-])N1CCNCC1=O ZINC001589346778 1021213634 /nfs/dbraw/zinc/21/36/34/1021213634.db2.gz VEKBHVZCTZSOSY-LSCVPOLPSA-N -1 0 309.366 -0.482 20 0 DBADRM C[C@H](C(=O)N(C)CCNc1ncc(C(=O)[O-])cn1)n1cncn1 ZINC001589339956 1021217630 /nfs/dbraw/zinc/21/76/30/1021217630.db2.gz OWHILRMYUJNKTI-SECBINFHSA-N -1 0 319.325 -0.102 20 0 DBADRM C[C@@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)[C@@H]1CCC(=O)N1 ZINC001589345820 1021218059 /nfs/dbraw/zinc/21/80/59/1021218059.db2.gz GXNXQRRWHGZAJT-APPZFPTMSA-N -1 0 307.310 -0.726 20 0 DBADRM C[C@H](C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-])N1CCSCC1 ZINC001589357328 1021225646 /nfs/dbraw/zinc/22/56/46/1021225646.db2.gz YQHRLICGTOCCNE-OUAUKWLOSA-N -1 0 302.396 -0.140 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])c1ccncc1 ZINC001589364514 1021225906 /nfs/dbraw/zinc/22/59/06/1021225906.db2.gz HREXEZWIMLXUCP-GXSJLCMTSA-N -1 0 312.347 -0.105 20 0 DBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1cccs1)N1CCNCC1=O ZINC001589379063 1021226335 /nfs/dbraw/zinc/22/63/35/1021226335.db2.gz YBMRTWBVMMSTNN-KCJUWKMLSA-N -1 0 311.363 -0.190 20 0 DBADRM CC(C)C(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001589395672 1021227357 /nfs/dbraw/zinc/22/73/57/1021227357.db2.gz UADIRJYZBSNJDK-UHFFFAOYSA-N -1 0 305.298 -0.832 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001589397715 1021228525 /nfs/dbraw/zinc/22/85/25/1021228525.db2.gz GIOQNBMFNPSBHA-LMLFDSFASA-N -1 0 318.395 -0.669 20 0 DBADRM C[C@H](C(=O)N[C@H](CO)C(=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001589389274 1021231439 /nfs/dbraw/zinc/23/14/39/1021231439.db2.gz XLQBQOGBHZQEJU-XFWSIPNHSA-N -1 0 312.322 -0.888 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](c2ccnc(N)n2)C1 ZINC001589396521 1021231480 /nfs/dbraw/zinc/23/14/80/1021231480.db2.gz GHDJJCYYWWVWGL-VHSXEESVSA-N -1 0 307.354 -0.173 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC([C@H](O)c2ccnn2C)CC1 ZINC001589397954 1021233529 /nfs/dbraw/zinc/23/35/29/1021233529.db2.gz WVBBHORNISGCIX-YGRLFVJLSA-N -1 0 324.381 -0.245 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC([C@@H](O)c2ccnn2C)CC1 ZINC001589397953 1021233650 /nfs/dbraw/zinc/23/36/50/1021233650.db2.gz WVBBHORNISGCIX-QMTHXVAHSA-N -1 0 324.381 -0.245 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC001589399943 1021236826 /nfs/dbraw/zinc/23/68/26/1021236826.db2.gz IDECYLNBJDOHPJ-WQAKAFBOSA-N -1 0 318.395 -0.668 20 0 DBADRM C[C@H](C(=O)NCCc1ccccc1C(=O)[O-])N1CCNCC1=O ZINC001589409540 1021237179 /nfs/dbraw/zinc/23/71/79/1021237179.db2.gz FMBDQCPRFJTSPA-LLVKDONJSA-N -1 0 319.361 -0.136 20 0 DBADRM C[C@@H](C(=O)NC[C@H](Cc1ccncc1)C(=O)[O-])S(C)(=O)=O ZINC001589403365 1021238202 /nfs/dbraw/zinc/23/82/02/1021238202.db2.gz HFJPIIKLDLWDLT-ONGXEEELSA-N -1 0 314.363 -0.126 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(CCc2ccncc2)CC1 ZINC001589401408 1021240082 /nfs/dbraw/zinc/24/00/82/1021240082.db2.gz SHYHSDLQGBRPAK-CYBMUJFWSA-N -1 0 320.393 -0.169 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC001589399633 1021240866 /nfs/dbraw/zinc/24/08/66/1021240866.db2.gz DKQCSKPESHHNNU-DCAQKATOSA-N -1 0 316.354 -0.572 20 0 DBADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1F)N1CCNCC1=O ZINC001589414766 1021241104 /nfs/dbraw/zinc/24/11/04/1021241104.db2.gz LUFSSYKQVCSYKR-SECBINFHSA-N -1 0 323.324 -0.040 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCO[C@H]1C(=O)[O-])n1cnc2c1ncnc2N ZINC001589422927 1021242851 /nfs/dbraw/zinc/24/28/51/1021242851.db2.gz NJHABYWRDHGDHS-ACLDMZEESA-N -1 0 320.309 -0.672 20 0 DBADRM C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001589434953 1021244769 /nfs/dbraw/zinc/24/47/69/1021244769.db2.gz ACDSXLCGRRADMD-PSLIRLAXSA-N -1 0 321.333 -0.366 20 0 DBADRM C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CC[NH+](C2CC2)CC1 ZINC001589493032 1021252963 /nfs/dbraw/zinc/25/29/63/1021252963.db2.gz BHLZVKXPGUHOQG-QMMMGPOBSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)Cn1ncn2nccc2c1=O)C1CCC1 ZINC001589478475 1021254465 /nfs/dbraw/zinc/25/44/65/1021254465.db2.gz ZEWZOGCWAXESHH-VIFPVBQESA-N -1 0 319.321 -0.255 20 0 DBADRM C[C@H](C(=O)[O-])N(CC(F)F)S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC001589486998 1021254502 /nfs/dbraw/zinc/25/45/02/1021254502.db2.gz XCSACFBEKFUGNC-RNFRBKRXSA-N -1 0 316.326 -0.167 20 0 DBADRM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)NC(N)=O ZINC001589480499 1021255921 /nfs/dbraw/zinc/25/59/21/1021255921.db2.gz NOUDMYFWMOIADQ-QMMMGPOBSA-N -1 0 322.281 -0.164 20 0 DBADRM CC(C)(C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)N1CCOCC1 ZINC001589560768 1021258407 /nfs/dbraw/zinc/25/84/07/1021258407.db2.gz PWYLNVHKUFTXQB-LBPRGKRZSA-N -1 0 314.382 -0.219 20 0 DBADRM CC(C)(C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-])n1cccn1 ZINC001589562804 1021258689 /nfs/dbraw/zinc/25/86/89/1021258689.db2.gz LTYWKRMEJUICPB-SNVBAGLBSA-N -1 0 308.338 -0.190 20 0 DBADRM CC(C)(C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)S(C)(=O)=O ZINC001589560987 1021260481 /nfs/dbraw/zinc/26/04/81/1021260481.db2.gz XCMNLCSBNYTDSO-SECBINFHSA-N -1 0 307.368 -0.506 20 0 DBADRM CC(C)(C(=O)NCCNc1ccnc(C(=O)[O-])n1)c1c[nH]cn1 ZINC001589570968 1021261269 /nfs/dbraw/zinc/26/12/69/1021261269.db2.gz QNZAUTASQIAHGW-UHFFFAOYSA-N -1 0 318.337 -0.174 20 0 DBADRM CC(C)(C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)S(C)(=O)=O ZINC001589560988 1021262532 /nfs/dbraw/zinc/26/25/32/1021262532.db2.gz XCMNLCSBNYTDSO-VIFPVBQESA-N -1 0 307.368 -0.506 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)NC[C@H]2CCCO2)cn1 ZINC001589660975 1021270299 /nfs/dbraw/zinc/27/02/99/1021270299.db2.gz XIDDAYHHKJLQBG-SNVBAGLBSA-N -1 0 324.337 -0.064 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)N2CC[C@H](CO)C2)cn1 ZINC001589657111 1021272531 /nfs/dbraw/zinc/27/25/31/1021272531.db2.gz OKTIRTOODWFJGS-VIFPVBQESA-N -1 0 324.337 -0.518 20 0 DBADRM CC(C)(C)C(=O)C(=O)NC[C@@H](CO)Nc1ncc(C(=O)[O-])cn1 ZINC001589684322 1021277152 /nfs/dbraw/zinc/27/71/52/1021277152.db2.gz CVTMJAHFIDCYFH-VIFPVBQESA-N -1 0 324.337 -0.321 20 0 DBADRM CC(C)(C(N)=O)C(=O)NCCCNc1ccnc(C(=O)[O-])n1 ZINC001589681723 1021277930 /nfs/dbraw/zinc/27/79/30/1021277930.db2.gz BDLRBQJNYWTRSR-UHFFFAOYSA-N -1 0 309.326 -0.974 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001589690785 1021278748 /nfs/dbraw/zinc/27/87/48/1021278748.db2.gz BFLTXYMFKGKHOI-SECBINFHSA-N -1 0 316.354 -0.129 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)NCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001589690294 1021279862 /nfs/dbraw/zinc/27/98/62/1021279862.db2.gz LWFQLZIZLTXZCF-DTWKUNHWSA-N -1 0 313.354 -0.898 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N[C@@H]2COCC[C@H]2O)n1 ZINC001589677368 1021281684 /nfs/dbraw/zinc/28/16/84/1021281684.db2.gz GOMNMPINGCUVTL-RKDXNWHRSA-N -1 0 312.326 -0.026 20 0 DBADRM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001589722673 1021286069 /nfs/dbraw/zinc/28/60/69/1021286069.db2.gz MREHOICMLAVDFK-WDEREUQCSA-N -1 0 313.354 -0.145 20 0 DBADRM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)NCCOCC(=O)[O-] ZINC001589722532 1021288623 /nfs/dbraw/zinc/28/86/23/1021288623.db2.gz IZIJJCDNJYEFQB-VHSXEESVSA-N -1 0 306.359 -0.455 20 0 DBADRM CC(C)(C)[C@@H]1CNC(=O)CN1C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001589733962 1021291206 /nfs/dbraw/zinc/29/12/06/1021291206.db2.gz CIBYAZZVJLTKFK-JTQLQIEISA-N -1 0 308.338 -0.046 20 0 DBADRM CC(C)(C)[C@H](O)C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589722716 1021293122 /nfs/dbraw/zinc/29/31/22/1021293122.db2.gz NVJYFIAEKGHDLQ-MRVPVSSYSA-N -1 0 307.368 -0.458 20 0 DBADRM CC(C)n1cnc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC001589783745 1021299384 /nfs/dbraw/zinc/29/93/84/1021299384.db2.gz KIYARDKSURJBPS-UHFFFAOYSA-N -1 0 303.290 -0.731 20 0 DBADRM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)C(N)=O ZINC001589763253 1021300095 /nfs/dbraw/zinc/30/00/95/1021300095.db2.gz WORGBPJILUCMHN-SNVBAGLBSA-N -1 0 304.310 -0.188 20 0 DBADRM CC(C)OCCONc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001589748959 1021301226 /nfs/dbraw/zinc/30/12/26/1021301226.db2.gz NISNJNBECFDSFM-UHFFFAOYSA-N -1 0 311.302 -0.566 20 0 DBADRM CC(C)c1nocc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589779464 1021304360 /nfs/dbraw/zinc/30/43/60/1021304360.db2.gz JFCHYXSEHAVNIM-UHFFFAOYSA-N -1 0 317.313 0.000 20 0 DBADRM CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001589740934 1021305611 /nfs/dbraw/zinc/30/56/11/1021305611.db2.gz SDXXQRMSPRTPGW-NXEZZACHSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H](CCCCO)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589808879 1021308486 /nfs/dbraw/zinc/30/84/86/1021308486.db2.gz GQFKPSDWNZMYKO-IUCAKERBSA-N -1 0 308.346 -0.314 20 0 DBADRM CC(C)(C)NC(=O)N1CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC001589823902 1021311832 /nfs/dbraw/zinc/31/18/32/1021311832.db2.gz ZDTXAMAYHACENE-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001589834677 1021312865 /nfs/dbraw/zinc/31/28/65/1021312865.db2.gz LRPBHMVBLVMFRW-PSASIEDQSA-N -1 0 322.383 -0.859 20 0 DBADRM C[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1nccs1 ZINC001589859114 1021319961 /nfs/dbraw/zinc/31/99/61/1021319961.db2.gz YESDLOPUJQUUDB-ZETCQYMHSA-N -1 0 319.354 -0.165 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1sccc1-c1nn[nH]n1)C(=O)[O-] ZINC001589850919 1021322625 /nfs/dbraw/zinc/32/26/25/1021322625.db2.gz UXZTWCMYLOXSIC-RXMQYKEDSA-N -1 0 324.322 -0.296 20 0 DBADRM C[C@H](CO)CCCNC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001589887222 1021326169 /nfs/dbraw/zinc/32/61/69/1021326169.db2.gz PNFVYGQTDAGJFW-VIFPVBQESA-N -1 0 323.361 -0.834 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1CN(Cn2cc(C(=O)[O-])nn2)CCO1 ZINC001589865700 1021329799 /nfs/dbraw/zinc/32/97/99/1021329799.db2.gz FMKFIQBEVVSUSL-JTQLQIEISA-N -1 0 312.326 -0.024 20 0 DBADRM CC(C)(C)OC(=O)COCC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001589890568 1021334109 /nfs/dbraw/zinc/33/41/09/1021334109.db2.gz MBQUCKWHPMTMLH-UHFFFAOYSA-N -1 0 317.338 -0.217 20 0 DBADRM C[C@H](Cn1cccn1)OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589903420 1021335424 /nfs/dbraw/zinc/33/54/24/1021335424.db2.gz BTHKONBVBDGPAP-RKDXNWHRSA-N -1 0 317.313 -0.152 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1ncon1 ZINC001589917953 1021336353 /nfs/dbraw/zinc/33/63/53/1021336353.db2.gz HICKBTVENPZDGU-RITPCOANSA-N -1 0 304.274 -0.720 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1cn[nH]c1 ZINC001589918887 1021337850 /nfs/dbraw/zinc/33/78/50/1021337850.db2.gz OFKLGMLCCZYDEG-RQJHMYQMSA-N -1 0 302.302 -0.380 20 0 DBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)NCCOCC(=O)[O-])C1 ZINC001589928848 1021339642 /nfs/dbraw/zinc/33/96/42/1021339642.db2.gz KZTIDKLZNGZJPG-UHFFFAOYSA-N -1 0 318.326 -0.814 20 0 DBADRM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C1(CO)CC1 ZINC001589978452 1021342558 /nfs/dbraw/zinc/34/25/58/1021342558.db2.gz ROPPDXYHRWODQR-ZCFIWIBFSA-N -1 0 307.314 -0.761 20 0 DBADRM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)c1nccn1C ZINC001589978053 1021343969 /nfs/dbraw/zinc/34/39/69/1021343969.db2.gz HAGWHYHQSZUVJM-LURJTMIESA-N -1 0 317.313 -0.427 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC001589979798 1021345731 /nfs/dbraw/zinc/34/57/31/1021345731.db2.gz YVAGOOBYTJCRNK-ISVAXAHUSA-N -1 0 320.317 -0.103 20 0 DBADRM C[C@H](O)C[C@H]1CCCN1C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589996782 1021350649 /nfs/dbraw/zinc/35/06/49/1021350649.db2.gz JUYPGTDQMQRSBM-LPEHRKFASA-N -1 0 320.357 -0.219 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H]1C[C@H](C)O)n1cnc(-c2nnn[n-]2)n1 ZINC001589996781 1021352324 /nfs/dbraw/zinc/35/23/24/1021352324.db2.gz JUYPGTDQMQRSBM-IVZWLZJFSA-N -1 0 320.357 -0.219 20 0 DBADRM C[C@@H](O)C[C@H](C)CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001589999532 1021360262 /nfs/dbraw/zinc/36/02/62/1021360262.db2.gz WXZYQUVZXHJULE-NKWVEPMBSA-N -1 0 309.330 -0.515 20 0 DBADRM C[C@@H](c1nc(-c2nccn2C)no1)n1cnc(-c2nnn[n-]2)n1 ZINC001590054859 1021376646 /nfs/dbraw/zinc/37/66/46/1021376646.db2.gz VKFFSWDSFUGNCH-LURJTMIESA-N -1 0 313.285 -0.149 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC001590072726 1021379479 /nfs/dbraw/zinc/37/94/79/1021379479.db2.gz KQSXNQBVUCYIEJ-MRVPVSSYSA-N -1 0 316.310 -0.260 20 0 DBADRM CC(C)(C)OC(=O)NC1(C(=O)NC[C@H](O)CC(=O)[O-])CC1 ZINC001590125718 1021388347 /nfs/dbraw/zinc/38/83/47/1021388347.db2.gz QKASTDLUVUWMBO-MRVPVSSYSA-N -1 0 302.327 -0.005 20 0 DBADRM C[C@@]1(CO)CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590136036 1021388578 /nfs/dbraw/zinc/38/85/78/1021388578.db2.gz QALSTANQRUZEDZ-GFCCVEGCSA-N -1 0 306.330 -0.921 20 0 DBADRM C[C@]1(CO)CCCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590137213 1021388646 /nfs/dbraw/zinc/38/86/46/1021388646.db2.gz VLBYSTPOJKYTPN-GFCCVEGCSA-N -1 0 321.345 -0.985 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[nH]n3)n2)CC1 ZINC001590153795 1021399152 /nfs/dbraw/zinc/39/91/52/1021399152.db2.gz ZKGOQIOZCCMMRV-UHFFFAOYSA-N -1 0 308.323 -0.126 20 0 DBADRM C[C@@H](C(=O)N1CC[C@H](CO)[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590168626 1021400621 /nfs/dbraw/zinc/40/06/21/1021400621.db2.gz LVTFYXNLZPWRPO-HRDYMLBCSA-N -1 0 306.330 -0.752 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H](CO)[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590168625 1021402832 /nfs/dbraw/zinc/40/28/32/1021402832.db2.gz LVTFYXNLZPWRPO-HLTSFMKQSA-N -1 0 306.330 -0.752 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001590162834 1021406095 /nfs/dbraw/zinc/40/60/95/1021406095.db2.gz FDALLPIGEDMTOT-SSDOTTSWSA-N -1 0 323.338 -0.930 20 0 DBADRM C[C@@H]1C[C@@H](CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CCO1 ZINC001590193807 1021416289 /nfs/dbraw/zinc/41/62/89/1021416289.db2.gz OALAYOHKPNIESX-SFYZADRCSA-N -1 0 321.341 -0.107 20 0 DBADRM C[C@@H]1C[C@H](CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@@H](C)O1 ZINC001590194100 1021419868 /nfs/dbraw/zinc/41/98/68/1021419868.db2.gz PLWFXJUAFYLEEL-BWZBUEFSSA-N -1 0 321.341 -0.109 20 0 DBADRM C[C@@H]1C[C@H](NS(=O)(=O)c2cccnc2-c2nnn[n-]2)CO1 ZINC001590207342 1021427630 /nfs/dbraw/zinc/42/76/30/1021427630.db2.gz RFZJXCYOOMSSPK-SFYZADRCSA-N -1 0 310.339 -0.283 20 0 DBADRM C[C@H]1C[C@@H](NS(=O)(=O)c2cccnc2-c2nnn[n-]2)C(=O)O1 ZINC001590206348 1021428037 /nfs/dbraw/zinc/42/80/37/1021428037.db2.gz INMXOEUPAIAPKB-NKWVEPMBSA-N -1 0 324.322 -0.756 20 0 DBADRM C[C@@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)CN1C(=O)C1CC1 ZINC001590207512 1021428301 /nfs/dbraw/zinc/42/83/01/1021428301.db2.gz GMVXDOJGICJNIV-SCZZXKLOSA-N -1 0 314.353 -0.110 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001590214054 1021430851 /nfs/dbraw/zinc/43/08/51/1021430851.db2.gz IQQJVCGNQYXWGB-POYBYMJQSA-N -1 0 317.309 -0.832 20 0 DBADRM C[C@@H]1CC2(CC(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)C2)CO1 ZINC001590223594 1021433979 /nfs/dbraw/zinc/43/39/79/1021433979.db2.gz RKUXLTYODNPAGX-BGQFSCJGSA-N -1 0 318.341 -0.468 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)NC[C@@H]1COCO1 ZINC001590236532 1021434021 /nfs/dbraw/zinc/43/40/21/1021434021.db2.gz NXZWZLXXPSKHNZ-BDAKNGLRSA-N -1 0 318.326 -0.157 20 0 DBADRM C[C@@H]1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)CS1(=O)=O ZINC001590238278 1021438195 /nfs/dbraw/zinc/43/81/95/1021438195.db2.gz CXDVBVXKEFTPBN-HTQZYQBOSA-N -1 0 309.355 -0.544 20 0 DBADRM C[C@@H]1CCCN1C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590263843 1021438514 /nfs/dbraw/zinc/43/85/14/1021438514.db2.gz HQVKYOTZFWLVCF-SSDOTTSWSA-N -1 0 305.298 -0.860 20 0 DBADRM CC1CCC(O)(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001590237819 1021439638 /nfs/dbraw/zinc/43/96/38/1021439638.db2.gz BNLLMBCCXGKYNZ-UHFFFAOYSA-N -1 0 320.357 -0.484 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590278230 1021441195 /nfs/dbraw/zinc/44/11/95/1021441195.db2.gz QDDLSNQOTMXCJZ-HQJQHLMTSA-N -1 0 316.321 -0.173 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@@H](C2CC2)O1 ZINC001590291121 1021443290 /nfs/dbraw/zinc/44/32/90/1021443290.db2.gz JLRFJNQVNTXIEG-SCZZXKLOSA-N -1 0 318.341 -0.516 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001590274400 1021444919 /nfs/dbraw/zinc/44/49/19/1021444919.db2.gz GNJKSNPVFUSXQK-YIZRAAEISA-N -1 0 320.317 -0.104 20 0 DBADRM CC1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC1 ZINC001590276185 1021446008 /nfs/dbraw/zinc/44/60/08/1021446008.db2.gz KDUVDBQFGCZGGX-UHFFFAOYSA-N -1 0 305.342 -0.500 20 0 DBADRM C[C@H]1CN(CCO)CCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590307548 1021452311 /nfs/dbraw/zinc/45/23/11/1021452311.db2.gz IIWQBQBOGIYPMD-VIFPVBQESA-N -1 0 306.326 -0.402 20 0 DBADRM C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C[C@@H](C)S1 ZINC001590312324 1021453933 /nfs/dbraw/zinc/45/39/33/1021453933.db2.gz HOZWFLMGJFIEIG-RNFRBKRXSA-N -1 0 323.382 -0.416 20 0 DBADRM C[C@@H]1COCC[C@@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590322377 1021454320 /nfs/dbraw/zinc/45/43/20/1021454320.db2.gz FGRYWDNOTFZQIE-RKDXNWHRSA-N -1 0 306.330 -0.753 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001590315652 1021454724 /nfs/dbraw/zinc/45/47/24/1021454724.db2.gz ZONXQNNCGHOGTF-SFYZADRCSA-N -1 0 310.339 -0.737 20 0 DBADRM C[C@@H]1COCC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590324653 1021460713 /nfs/dbraw/zinc/46/07/13/1021460713.db2.gz PHQABPVCVUKIPZ-RNFRBKRXSA-N -1 0 307.314 -0.497 20 0 DBADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590334019 1021461331 /nfs/dbraw/zinc/46/13/31/1021461331.db2.gz ISBYLUICKVGNIZ-AYHNYZOXSA-N -1 0 321.341 -0.110 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001590328136 1021464698 /nfs/dbraw/zinc/46/46/98/1021464698.db2.gz DJXCOXLUZWWSOW-VIFPVBQESA-N -1 0 324.366 -0.895 20 0 DBADRM C[C@H]1CSC[C@H]1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590327886 1021464827 /nfs/dbraw/zinc/46/48/27/1021464827.db2.gz ADAAKNWKKSUODQ-JGVFFNPUSA-N -1 0 323.386 -0.491 20 0 DBADRM C[C@H]1SCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@@H]1C ZINC001590338704 1021469028 /nfs/dbraw/zinc/46/90/28/1021469028.db2.gz VQROAZKJESCMMK-RNFRBKRXSA-N -1 0 323.382 -0.416 20 0 DBADRM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)C1(O)COC1 ZINC001590340283 1021469254 /nfs/dbraw/zinc/46/92/54/1021469254.db2.gz LTZFPFOQKYUWQQ-QMMMGPOBSA-N -1 0 303.311 -0.561 20 0 DBADRM C/C=C(/C)C(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001590341076 1021473015 /nfs/dbraw/zinc/47/30/15/1021473015.db2.gz BUNSGIQSRUIPPR-CLTKARDFSA-N -1 0 317.309 -0.522 20 0 DBADRM C/C=C/C[C@H](CO)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590351599 1021473488 /nfs/dbraw/zinc/47/34/88/1021473488.db2.gz HQAJLJGSTCJQOZ-HUGTUPKYSA-N -1 0 306.330 -0.538 20 0 DBADRM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H]1CCC(=O)N1 ZINC001590341015 1021473517 /nfs/dbraw/zinc/47/35/17/1021473517.db2.gz GZCQKAIGEBFXIX-BDAKNGLRSA-N -1 0 314.338 -0.044 20 0 DBADRM CC=CC[C@@H]1NC(=O)N(CCn2cnc(-c3nnn[n-]3)n2)C1=O ZINC001590352930 1021475172 /nfs/dbraw/zinc/47/51/72/1021475172.db2.gz DOHSVNKXJBZKRH-SGJFDWMWSA-N -1 0 317.313 -0.655 20 0 DBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCCOCC(=O)[O-] ZINC001590377964 1021476393 /nfs/dbraw/zinc/47/63/93/1021476393.db2.gz OLNIPAOQAVUXBC-UHFFFAOYSA-N -1 0 318.370 -0.086 20 0 DBADRM CC[C@@H](C(=O)Nc1c[nH]nc1-c1nnn[n-]1)N1CCCC1=O ZINC001590371402 1021476436 /nfs/dbraw/zinc/47/64/36/1021476436.db2.gz YQQQXRCGKDXSKJ-QMMMGPOBSA-N -1 0 304.314 -0.071 20 0 DBADRM CC(C)(C)OC(=O)c1cc(C(=O)N[C@@](C)(CO)C(=O)[O-])[nH]n1 ZINC001590359999 1021476545 /nfs/dbraw/zinc/47/65/45/1021476545.db2.gz NTXHQODLMBXTII-ZDUSSCGKSA-N -1 0 313.310 -0.070 20 0 DBADRM CCC(=O)[C@@H]1CCCN1C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590365866 1021481889 /nfs/dbraw/zinc/48/18/89/1021481889.db2.gz USTWSEHIIBDROC-IUCAKERBSA-N -1 0 318.341 -0.011 20 0 DBADRM CCC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001590361510 1021482622 /nfs/dbraw/zinc/48/26/22/1021482622.db2.gz HEFIBLHHUKMDKF-SECBINFHSA-N -1 0 302.342 -0.109 20 0 DBADRM CC[C@@H](CNC(=O)COC)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001590441273 1021486056 /nfs/dbraw/zinc/48/60/56/1021486056.db2.gz LTNOINRMDVCSFT-QMMMGPOBSA-N -1 0 306.330 -0.968 20 0 DBADRM CCC(CC)(CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590428106 1021486890 /nfs/dbraw/zinc/48/68/90/1021486890.db2.gz WWYODXKQBONCTR-UHFFFAOYSA-N -1 0 309.330 -0.371 20 0 DBADRM CCC(CC)(NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(N)=O ZINC001590427889 1021487326 /nfs/dbraw/zinc/48/73/26/1021487326.db2.gz QSQLHYKRDKZTGZ-SSDOTTSWSA-N -1 0 321.345 -0.821 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)Nc1ccnc(C(=O)[O-])n1 ZINC001590422281 1021491121 /nfs/dbraw/zinc/49/11/21/1021491121.db2.gz KFJOZRWIBLOLOG-UHFFFAOYSA-N -1 0 301.324 -0.252 20 0 DBADRM CC[C@H](CNC(=O)COC)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001590441272 1021491522 /nfs/dbraw/zinc/49/15/22/1021491522.db2.gz LTNOINRMDVCSFT-MRVPVSSYSA-N -1 0 306.330 -0.968 20 0 DBADRM CC[C@@H](CNS(=O)(=O)c1cccnc1-c1nnn[n-]1)OC ZINC001590446975 1021493333 /nfs/dbraw/zinc/49/33/33/1021493333.db2.gz QYWZMKBBIATXNU-QMMMGPOBSA-N -1 0 312.355 -0.035 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)[C@@H](C)O ZINC001590468421 1021495834 /nfs/dbraw/zinc/49/58/34/1021495834.db2.gz FATSZIOBNKEKNC-RNFRBKRXSA-N -1 0 301.328 -0.103 20 0 DBADRM CC[C@@H]1CCN1C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590517486 1021504544 /nfs/dbraw/zinc/50/45/44/1021504544.db2.gz OJWBOEQFJTXVPZ-SSDOTTSWSA-N -1 0 305.298 -0.860 20 0 DBADRM CC[C@@H]1CN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001590516380 1021505421 /nfs/dbraw/zinc/50/54/21/1021505421.db2.gz FERIJQWTCBXNRB-RKDXNWHRSA-N -1 0 306.330 -0.343 20 0 DBADRM CC[C@@H]1CC[C@H](C(=O)NCCn2cnc(-c3nnn[n-]3)n2)O1 ZINC001590504999 1021507350 /nfs/dbraw/zinc/50/73/50/1021507350.db2.gz NUQFTFQEPACGMC-RKDXNWHRSA-N -1 0 306.330 -0.468 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(-c3nn[nH]n3)o2)C1=O ZINC001590491832 1021509125 /nfs/dbraw/zinc/50/91/25/1021509125.db2.gz LZJFDHKPKNRLIL-LBPRGKRZSA-N -1 0 319.281 -0.175 20 0 DBADRM CC[C@@H]1C(=O)NCCN1Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001590498705 1021509714 /nfs/dbraw/zinc/50/97/14/1021509714.db2.gz CEOBYVOMVMRPHE-SNVBAGLBSA-N -1 0 317.353 -0.495 20 0 DBADRM CC[C@@H]1CN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001590517790 1021510039 /nfs/dbraw/zinc/51/00/39/1021510039.db2.gz QMIRHQRJVWDLPH-DJLDLDEBSA-N -1 0 306.330 -0.752 20 0 DBADRM CC[C@]1(O)CCCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001590499304 1021511540 /nfs/dbraw/zinc/51/15/40/1021511540.db2.gz DDMQRYGBFVPKFA-ZANVPECISA-N -1 0 320.357 -0.217 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001590499979 1021512052 /nfs/dbraw/zinc/51/20/52/1021512052.db2.gz IYQJJJRBRAIEGF-PRHODGIISA-N -1 0 306.330 -0.607 20 0 DBADRM CCC1(C)CN(C(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001590490212 1021512118 /nfs/dbraw/zinc/51/21/18/1021512118.db2.gz JFPPOWSRVFCOTP-UHFFFAOYSA-N -1 0 319.325 -0.613 20 0 DBADRM CCCC(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001590533524 1021514441 /nfs/dbraw/zinc/51/44/41/1021514441.db2.gz CDHPAYVDCYRPJW-UHFFFAOYSA-N -1 0 305.298 -0.688 20 0 DBADRM CC/C=C(\C)C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001590536141 1021515086 /nfs/dbraw/zinc/51/50/86/1021515086.db2.gz VPVVNZONCLGESN-RUDMXATFSA-N -1 0 302.342 -0.037 20 0 DBADRM CCCC(=O)NC/C=C\CNc1ccnc(-c2nnn[n-]2)n1 ZINC001590537919 1021516102 /nfs/dbraw/zinc/51/61/02/1021516102.db2.gz DPXFEVDJNGQXEL-ARJAWSKDSA-N -1 0 302.342 -0.037 20 0 DBADRM CC/C=C(/C)C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001590536142 1021517488 /nfs/dbraw/zinc/51/74/88/1021517488.db2.gz VPVVNZONCLGESN-WTKPLQERSA-N -1 0 302.342 -0.037 20 0 DBADRM CCCCNC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001590604761 1021526751 /nfs/dbraw/zinc/52/67/51/1021526751.db2.gz VUANZMYIAVINCF-UHFFFAOYSA-N -1 0 322.329 -0.772 20 0 DBADRM CCCNC(=O)[C@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590635635 1021527828 /nfs/dbraw/zinc/52/78/28/1021527828.db2.gz ZWDUVUSEPWDXAV-JGVFFNPUSA-N -1 0 321.345 -0.950 20 0 DBADRM CCCN(CC(=O)OC)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590621275 1021528056 /nfs/dbraw/zinc/52/80/56/1021528056.db2.gz FXXQKZLEAIHCEE-QMMMGPOBSA-N -1 0 322.329 -0.569 20 0 DBADRM CCCSCC(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001590650591 1021531843 /nfs/dbraw/zinc/53/18/43/1021531843.db2.gz RVXHVFPLLXFLSV-UHFFFAOYSA-N -1 0 322.398 -0.250 20 0 DBADRM CCN(C(=O)c1ccc(-c2nnn[n-]2)o1)[C@H]1CC(=O)NC1=O ZINC001590673941 1021534978 /nfs/dbraw/zinc/53/49/78/1021534978.db2.gz UBLHCFPDXOIJKI-LURJTMIESA-N -1 0 304.266 -0.663 20 0 DBADRM CCC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)C(N)=O ZINC001590654259 1021536071 /nfs/dbraw/zinc/53/60/71/1021536071.db2.gz VMDVLFFQQJUOQY-VIFPVBQESA-N -1 0 304.310 -0.044 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001590680757 1021541087 /nfs/dbraw/zinc/54/10/87/1021541087.db2.gz TZDFEJIBQVNMEQ-UHFFFAOYSA-N -1 0 301.284 -0.445 20 0 DBADRM CCN(CC)C(=O)Cn1nc(C)c(C)c(-c2nnn[n-]2)c1=O ZINC001590683735 1021545951 /nfs/dbraw/zinc/54/59/51/1021545951.db2.gz CAZCICJWYCXXGU-UHFFFAOYSA-N -1 0 305.342 -0.091 20 0 DBADRM CC(C)(CNC(=O)C(=O)N1CC(C(C)(C)O)C1)CC(=O)[O-] ZINC001590702969 1021548106 /nfs/dbraw/zinc/54/81/06/1021548106.db2.gz SKROGEFADOPONL-UHFFFAOYSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)(CNC(=O)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(=O)[O-] ZINC001590705156 1021548467 /nfs/dbraw/zinc/54/84/67/1021548467.db2.gz MVCHXGDRWZANEC-ULHKAFAUSA-N -1 0 310.350 -0.105 20 0 DBADRM CC(C)(CNC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)S(C)(=O)=O ZINC001590723993 1021556234 /nfs/dbraw/zinc/55/62/34/1021556234.db2.gz NYQJIVMPQGQWBF-BRPSZJMVSA-N -1 0 304.368 -0.218 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@]1(O)CCOC1 ZINC001590743499 1021560463 /nfs/dbraw/zinc/56/04/63/1021560463.db2.gz PMMVQFSIBKBTOY-BFVZDQMLSA-N -1 0 301.339 -0.088 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@@]1(O)CCOC1 ZINC001590743500 1021560857 /nfs/dbraw/zinc/56/08/57/1021560857.db2.gz PMMVQFSIBKBTOY-ISTVAULSSA-N -1 0 301.339 -0.088 20 0 DBADRM CC(C)(CNC(N)=O)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001590758850 1021567070 /nfs/dbraw/zinc/56/70/70/1021567070.db2.gz SVFDCOSCQJHJOC-UHFFFAOYSA-N -1 0 310.310 -0.890 20 0 DBADRM CC(C)(CNC(N)=O)NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001590757625 1021571702 /nfs/dbraw/zinc/57/17/02/1021571702.db2.gz QVLBOWIRDLXDQV-IUCAKERBSA-N -1 0 321.399 -0.004 20 0 DBADRM CCOC(=O)[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590754192 1021573182 /nfs/dbraw/zinc/57/31/82/1021573182.db2.gz QZFQLRCGMIJWOO-VIFPVBQESA-N -1 0 321.293 -0.774 20 0 DBADRM CCOC(=O)C[C@H](O)Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001590762292 1021576548 /nfs/dbraw/zinc/57/65/48/1021576548.db2.gz GZFPNCUXELMOBI-VIFPVBQESA-N -1 0 307.310 -0.349 20 0 DBADRM CC(C)(CNS(=O)(=O)CC1(C(=O)[O-])CCC1)OCCO ZINC001590777077 1021577663 /nfs/dbraw/zinc/57/76/63/1021577663.db2.gz UQLFDZZESVQLAZ-UHFFFAOYSA-N -1 0 309.384 -0.052 20 0 DBADRM CC(C)(CNS(C)(=O)=O)NC(=O)c1ccoc1CC(=O)[O-] ZINC001590774236 1021578189 /nfs/dbraw/zinc/57/81/89/1021578189.db2.gz JQCXFACLCNPUKR-UHFFFAOYSA-N -1 0 318.351 -0.036 20 0 DBADRM CCOC(=O)C[C@H](O)Cn1cc(C)cc(-c2nnn[n-]2)c1=O ZINC001590762279 1021578834 /nfs/dbraw/zinc/57/88/34/1021578834.db2.gz GXHVCEWFVYZETA-VIFPVBQESA-N -1 0 307.310 -0.349 20 0 DBADRM CCOC(=O)C[C@@H](C)OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590765352 1021578934 /nfs/dbraw/zinc/57/89/34/1021578934.db2.gz JNNKYZSNVJSBDV-HTQZYQBOSA-N -1 0 323.313 -0.096 20 0 DBADRM CC(C)(CS(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1)C(=O)[O-] ZINC001590789335 1021583992 /nfs/dbraw/zinc/58/39/92/1021583992.db2.gz RXCYSSNZVLVJRB-SNVBAGLBSA-N -1 0 306.384 -0.822 20 0 DBADRM CCOC1CC(CC(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590787709 1021584851 /nfs/dbraw/zinc/58/48/51/1021584851.db2.gz JXMCBBOXGHOLBM-UHFFFAOYSA-N -1 0 320.357 -0.220 20 0 DBADRM CCOCCC(=O)NC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001590805505 1021586336 /nfs/dbraw/zinc/58/63/36/1021586336.db2.gz GAMZXEZBPFCYNX-VIFPVBQESA-N -1 0 320.357 -0.578 20 0 DBADRM CCOCCC(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001590804505 1021586671 /nfs/dbraw/zinc/58/66/71/1021586671.db2.gz YWYPDZFVLMHOBV-VIFPVBQESA-N -1 0 320.357 -0.578 20 0 DBADRM CC(C)(CS(=O)(=O)N[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001590802759 1021587498 /nfs/dbraw/zinc/58/74/98/1021587498.db2.gz GCCBPYTZEINXJH-QMMMGPOBSA-N -1 0 313.397 -0.406 20 0 DBADRM CC(C)(CS(=O)(=O)NC[C@]1(CCO)CCOC1)C(=O)[O-] ZINC001590802732 1021591391 /nfs/dbraw/zinc/59/13/91/1021591391.db2.gz FQEGGIFEXJKTML-LBPRGKRZSA-N -1 0 309.384 -0.194 20 0 DBADRM CC(C)(F)C(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001590827437 1021593361 /nfs/dbraw/zinc/59/33/61/1021593361.db2.gz VZAYUBXGOVQEDI-DTWKUNHWSA-N -1 0 304.318 -0.608 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001590816520 1021596648 /nfs/dbraw/zinc/59/66/48/1021596648.db2.gz MRJVSMWMIUMIEZ-UHFFFAOYSA-N -1 0 320.309 -0.111 20 0 DBADRM CC(C)(NC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1)C(=O)[O-] ZINC001590836538 1021597302 /nfs/dbraw/zinc/59/73/02/1021597302.db2.gz RLWAFIFDEVREJR-UHFFFAOYSA-N -1 0 311.269 -0.158 20 0 DBADRM CC(C)(NC(=O)Cn1cccc(C(=O)[O-])c1=O)c1cn[nH]n1 ZINC001590849285 1021598339 /nfs/dbraw/zinc/59/83/39/1021598339.db2.gz UEGUFNKOASPCJY-UHFFFAOYSA-N -1 0 305.294 -0.284 20 0 DBADRM CC[C@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC001590868155 1021598924 /nfs/dbraw/zinc/59/89/24/1021598924.db2.gz UCESDPARHIOEOG-RQJHMYQMSA-N -1 0 308.302 -0.913 20 0 DBADRM O=C(CN1C(=O)CCC1=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001520614348 1021599573 /nfs/dbraw/zinc/59/95/73/1021599573.db2.gz DLERAGWGVTVTSC-ZDUSSCGKSA-N -1 0 314.305 -0.446 20 0 DBADRM CC(C)(NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001590874932 1021601069 /nfs/dbraw/zinc/60/10/69/1021601069.db2.gz PROILLPRVPEHJW-QMMMGPOBSA-N -1 0 313.397 -0.406 20 0 DBADRM CC(C)(O)[C@@H](O)C(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001590882427 1021604140 /nfs/dbraw/zinc/60/41/40/1021604140.db2.gz DHVGWBXXCHYRKO-RYUDHWBXSA-N -1 0 309.318 -0.005 20 0 DBADRM CC(C)(O)CC(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O ZINC001590893316 1021606189 /nfs/dbraw/zinc/60/61/89/1021606189.db2.gz DZJNMKWRZPMBJD-ZJUUUORDSA-N -1 0 324.337 -0.999 20 0 DBADRM CC(C)(O)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001590893741 1021607126 /nfs/dbraw/zinc/60/71/26/1021607126.db2.gz PGRUWQCJEZBPLA-XWLWVQCSSA-N -1 0 312.366 -0.121 20 0 DBADRM CC(C)(O)C[C@@H](O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001590893892 1021607293 /nfs/dbraw/zinc/60/72/93/1021607293.db2.gz VMRAMUOQANOGGA-NXEZZACHSA-N -1 0 309.384 -0.918 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001590881157 1021608227 /nfs/dbraw/zinc/60/82/27/1021608227.db2.gz XDEQTJRGJPSUFC-RGOKHQFPSA-N -1 0 318.395 -0.070 20 0 DBADRM CCc1nnsc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590934329 1021612582 /nfs/dbraw/zinc/61/25/82/1021612582.db2.gz XEPUCKMNAABYBK-UHFFFAOYSA-N -1 0 320.342 -0.698 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2nccnc2C)c1=O ZINC001590949273 1021614025 /nfs/dbraw/zinc/61/40/25/1021614025.db2.gz BQMUYYFHYVAHEB-UHFFFAOYSA-N -1 0 314.309 -0.643 20 0 DBADRM CC(C)C(=O)NCCN(C)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001590940102 1021615058 /nfs/dbraw/zinc/61/50/58/1021615058.db2.gz MQMHKJSRAYZMAD-UHFFFAOYSA-N -1 0 306.384 -0.115 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001590939527 1021615666 /nfs/dbraw/zinc/61/56/66/1021615666.db2.gz YNQJNQKAEKVXHG-QWRGUYRKSA-N -1 0 312.366 -0.167 20 0 DBADRM CC(C)C(=O)NCCNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001590940118 1021615934 /nfs/dbraw/zinc/61/59/34/1021615934.db2.gz NWHVAPLLKKQNLT-ZJUUUORDSA-N -1 0 301.343 -0.358 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC[C@@H](C)C(C)=O)c1=O ZINC001590949829 1021616581 /nfs/dbraw/zinc/61/65/81/1021616581.db2.gz JJJMWXXXIQINSY-MRVPVSSYSA-N -1 0 306.326 -0.175 20 0 DBADRM CC(C)C(=O)NCCCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001590938483 1021617357 /nfs/dbraw/zinc/61/73/57/1021617357.db2.gz FKWURJGJKQAVRC-AOOOYVTPSA-N -1 0 306.384 -0.069 20 0 DBADRM CN(C(=O)COc1ccc(-c2nn[nH]n2)cc1)c1nnn[n-]1 ZINC001590982780 1021619752 /nfs/dbraw/zinc/61/97/52/1021619752.db2.gz LEHDYAFISZJWLK-UHFFFAOYSA-N -1 0 301.270 -0.578 20 0 DBADRM CCn1nc(C)c(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)n1 ZINC001590965353 1021620256 /nfs/dbraw/zinc/62/02/56/1021620256.db2.gz HIONJYYYTMQZCJ-UHFFFAOYSA-N -1 0 303.286 -0.903 20 0 DBADRM CC(C)[C@](C)(NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C(N)=O ZINC001590969137 1021621693 /nfs/dbraw/zinc/62/16/93/1021621693.db2.gz XXEFENZHWVHCQQ-OTYXRUKQSA-N -1 0 313.354 -0.674 20 0 DBADRM CC(C)[C@H](CCN(C)C(=O)C(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001590981179 1021622585 /nfs/dbraw/zinc/62/25/85/1021622585.db2.gz QHJWKQYAHRZAOM-JTQLQIEISA-N -1 0 323.353 -0.055 20 0 DBADRM CN(C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)[C@@H]1CCNC1=O ZINC001590992793 1021625134 /nfs/dbraw/zinc/62/51/34/1021625134.db2.gz ZGUIHPFOZWRMJW-SECBINFHSA-N -1 0 302.294 -0.467 20 0 DBADRM CC(C)[C@@H](CO)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001590988789 1021626023 /nfs/dbraw/zinc/62/60/23/1021626023.db2.gz SKNZFAVMKCDEQH-LPEHRKFASA-N -1 0 303.359 -0.472 20 0 DBADRM CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591000433 1021628244 /nfs/dbraw/zinc/62/82/44/1021628244.db2.gz BWKCKPZYBLWNJX-UHFFFAOYSA-N -1 0 314.327 -0.832 20 0 DBADRM CN(C)C(=O)N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001591003209 1021632684 /nfs/dbraw/zinc/63/26/84/1021632684.db2.gz MRKNXSOBMUMABA-UHFFFAOYSA-N -1 0 303.330 -0.540 20 0 DBADRM NC(=O)[C@H]1CC[C@H]1C(=O)NCCNC(=O)c1ccccc1O ZINC001522522029 1021749844 /nfs/dbraw/zinc/74/98/44/1021749844.db2.gz VTMDVZOLZSHBKL-VHSXEESVSA-N -1 0 305.334 -0.250 20 0 DBADRM O=C(NCCNC(=O)C1CC=CC1)c1c[n-]n2c1nccc2=O ZINC001522567839 1021794683 /nfs/dbraw/zinc/79/46/83/1021794683.db2.gz URHRJKUPYACNKQ-UHFFFAOYSA-N -1 0 315.333 -0.165 20 0 DBADRM Cc1ccc(C(=O)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC001522772317 1021863275 /nfs/dbraw/zinc/86/32/75/1021863275.db2.gz JQYLUAGGVJJXNN-UHFFFAOYSA-N -1 0 317.305 -0.249 20 0 DBADRM CCCC(C)(C)C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001522781915 1021867228 /nfs/dbraw/zinc/86/72/28/1021867228.db2.gz GTEHZUKIDSTWDU-UHFFFAOYSA-N -1 0 313.358 -0.252 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)c2cncn2C)c1[O-] ZINC001522881359 1021894818 /nfs/dbraw/zinc/89/48/18/1021894818.db2.gz IJBCSSGQMAELAP-UHFFFAOYSA-N -1 0 306.326 -0.293 20 0 DBADRM CN(CCCNC(=O)C1(C)CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001523438284 1022077799 /nfs/dbraw/zinc/07/77/99/1022077799.db2.gz QVFWEEGSLXOOSY-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CC(=O)N1CCN(CCCNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001524061442 1022178741 /nfs/dbraw/zinc/17/87/41/1022178741.db2.gz VDAOQPPNERUAGS-UHFFFAOYSA-N -1 0 309.370 -0.292 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](NC(=O)C1CCC1)C1CC1 ZINC001524482698 1022304066 /nfs/dbraw/zinc/30/40/66/1022304066.db2.gz WVMFSAURUYFRTD-SNVBAGLBSA-N -1 0 323.353 -0.500 20 0 DBADRM C/C=C(/C)C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001524960493 1022363625 /nfs/dbraw/zinc/36/36/25/1022363625.db2.gz ZJDIZHIOYCKVEO-YVSFRJHBSA-N -1 0 309.326 -0.581 20 0 DBADRM COC[C@H](NC(=O)c1ccc2c(c1)nc[nH]c2=O)c1nnn[n-]1 ZINC001558339870 1023956349 /nfs/dbraw/zinc/95/63/49/1023956349.db2.gz OUPOFUDPICPCRA-JTQLQIEISA-N -1 0 315.293 -0.034 20 0 DBADRM CONC(=O)C1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001558224353 1023957020 /nfs/dbraw/zinc/95/70/20/1023957020.db2.gz VOPJZGDBJRCBDY-UHFFFAOYSA-N -1 0 319.321 -0.448 20 0 DBADRM CO[N-]C(=O)CNC(=O)C[C@@H](NC(N)=O)c1cccc(C)c1 ZINC001558637343 1023966022 /nfs/dbraw/zinc/96/60/22/1023966022.db2.gz QNTMUPMLUWCVFB-LLVKDONJSA-N -1 0 308.338 -0.112 20 0 DBADRM C[C@H](NC(=O)CCCN1C(=O)CN(C)C1=O)c1nn(C)cc1[O-] ZINC001558683203 1023967687 /nfs/dbraw/zinc/96/76/87/1023967687.db2.gz XSCIACNMSOLMFE-VIFPVBQESA-N -1 0 323.353 -0.023 20 0 DBADRM C[C@H](NC(=O)Cn1nc2ccccn2c1=O)c1nn(C)cc1[O-] ZINC001558682694 1023969252 /nfs/dbraw/zinc/96/92/52/1023969252.db2.gz JRVASUGEDSPBCC-VIFPVBQESA-N -1 0 316.321 -0.188 20 0 DBADRM COC(CNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1)OC ZINC001558836946 1023975307 /nfs/dbraw/zinc/97/53/07/1023975307.db2.gz DHPOYIIOMCOEOL-UHFFFAOYSA-N -1 0 321.337 -0.079 20 0 DBADRM Nc1nc2nc(CNC3(c4ncccn4)CCC3)cc(=O)n2[n-]1 ZINC001560104382 1024004223 /nfs/dbraw/zinc/00/42/23/1024004223.db2.gz SRAVOBLISCBUQY-UHFFFAOYSA-N -1 0 312.337 -0.041 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1nc(-c2ccccn2)n[nH]1 ZINC001562801827 1024021611 /nfs/dbraw/zinc/02/16/11/1024021611.db2.gz HVGXEGAOBOWBMT-UHFFFAOYSA-N -1 0 314.313 -0.383 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCC2(CCNC(=O)O2)CC1 ZINC001565420975 1024053361 /nfs/dbraw/zinc/05/33/61/1024053361.db2.gz QEVNSXSCESYYGJ-UHFFFAOYSA-N -1 0 300.315 -0.662 20 0 DBADRM O=C(c1ccnc2n[nH]nc21)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001565614225 1024060197 /nfs/dbraw/zinc/06/01/97/1024060197.db2.gz FJEWJHRYNPDDAL-SSDOTTSWSA-N -1 0 301.270 -0.920 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCCN1CCOC1=O ZINC001565560505 1024061379 /nfs/dbraw/zinc/06/13/79/1024061379.db2.gz CSEXRKBZORUFES-UHFFFAOYSA-N -1 0 301.328 -0.439 20 0 DBADRM CN(CCOCCN(C)C(=O)c1ncc[nH]1)Cc1n[nH]c(=O)[n-]1 ZINC001566058837 1024120713 /nfs/dbraw/zinc/12/07/13/1024120713.db2.gz WAJRVJKQLIABGZ-UHFFFAOYSA-N -1 0 323.357 -0.546 20 0 DBADRM COCCCn1nc(C(=O)NCc2n[nH]c(=O)[n-]2)ccc1=O ZINC001566244905 1024151012 /nfs/dbraw/zinc/15/10/12/1024151012.db2.gz MRZXEFXBWOPHAU-UHFFFAOYSA-N -1 0 308.298 -0.967 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2ccc(S(C)(=O)=O)s2)C1=O ZINC001566470238 1024196543 /nfs/dbraw/zinc/19/65/43/1024196543.db2.gz OTDXBOCSYRBGNO-UHFFFAOYSA-N -1 0 317.348 -0.310 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001566484442 1024202621 /nfs/dbraw/zinc/20/26/21/1024202621.db2.gz ZYPREZUEHNZXES-UHFFFAOYSA-N -1 0 321.341 -0.434 20 0 DBADRM CN(CCNC(=O)c1cccc2ncnn21)Cc1n[nH]c(=O)[n-]1 ZINC001567291392 1024612734 /nfs/dbraw/zinc/61/27/34/1024612734.db2.gz JICVSKCGPAUHLM-UHFFFAOYSA-N -1 0 316.325 -0.585 20 0 DBADRM COC(=O)[C@](C)(O)CNC(=O)CSc1n[n-]c(=S)s1 ZINC001567375325 1024652002 /nfs/dbraw/zinc/65/20/02/1024652002.db2.gz YZLZERBXXAINST-SECBINFHSA-N -1 0 323.421 -0.041 20 0 DBADRM Cc1[nH]c(C=O)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001567528769 1024768057 /nfs/dbraw/zinc/76/80/57/1024768057.db2.gz MLLKKGCCYKQETI-UHFFFAOYSA-N -1 0 301.324 -0.669 20 0 DBADRM O=C(NC1CN(CCOCC2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001567799104 1024824357 /nfs/dbraw/zinc/82/43/57/1024824357.db2.gz OJBAXJQFKUDBKP-UHFFFAOYSA-N -1 0 309.326 -0.877 20 0 DBADRM NS(=O)(=O)c1ccc(SCC(=O)[N-]OCCO)cc1 ZINC001567838275 1024832105 /nfs/dbraw/zinc/83/21/05/1024832105.db2.gz XTNZYSYKSUKPLU-UHFFFAOYSA-N -1 0 306.365 -0.534 20 0 DBADRM COCCCONC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001568724406 1024992666 /nfs/dbraw/zinc/99/26/66/1024992666.db2.gz CJURYRYMNYDGAG-UHFFFAOYSA-N -1 0 308.294 -0.036 20 0 DBADRM COCc1cc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)no1 ZINC001568930314 1025083224 /nfs/dbraw/zinc/08/32/24/1025083224.db2.gz DJQUWWBVFIPYBR-IHWYPQMZSA-N -1 0 322.325 -0.280 20 0 DBADRM CCn1cc(CC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cn1 ZINC001568948228 1025095054 /nfs/dbraw/zinc/09/50/54/1025095054.db2.gz ZQWSQSNVQXWQIX-ARJAWSKDSA-N -1 0 319.369 -0.269 20 0 DBADRM CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001569486301 1025254990 /nfs/dbraw/zinc/25/49/90/1025254990.db2.gz VBPNSHUQLVDJNF-SNVBAGLBSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)[C@@H](CO)ONC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001569508704 1025266931 /nfs/dbraw/zinc/26/69/31/1025266931.db2.gz HOOJWMRSFDZESX-LLVKDONJSA-N -1 0 306.326 -0.247 20 0 DBADRM Cn1cc(-c2ncccc2C(=O)Nn2c(=O)[n-][nH]c2=O)cn1 ZINC001569827346 1025374135 /nfs/dbraw/zinc/37/41/35/1025374135.db2.gz KCDLUCSOZCXQHE-UHFFFAOYSA-N -1 0 301.266 -0.131 20 0 DBADRM O=C([O-])c1cnc(CNC(=O)NC[C@]2(O)CCOC2)s1 ZINC001571075344 1025812190 /nfs/dbraw/zinc/81/21/90/1025812190.db2.gz VTMFAUZRHOLISO-LLVKDONJSA-N -1 0 301.324 -0.208 20 0 DBADRM COC(=O)[C@@H]1CN(CCC(=O)N(C)CC(=O)[O-])C[C@H](C)O1 ZINC001571077035 1025813586 /nfs/dbraw/zinc/81/35/86/1025813586.db2.gz SHYFHKPJZBQTQU-UWVGGRQHSA-N -1 0 302.327 -0.818 20 0 DBADRM NS(=O)(=O)C1(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)CC1 ZINC001571069195 1025808908 /nfs/dbraw/zinc/80/89/08/1025808908.db2.gz HMPQAEACUDDDJV-UHFFFAOYSA-N -1 0 300.292 -0.150 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H](CC2OCCO2)C(=O)[O-])CC1=O ZINC001571069113 1025809846 /nfs/dbraw/zinc/80/98/46/1025809846.db2.gz DTFQGZGSHKLTCQ-DTWKUNHWSA-N -1 0 300.311 -0.813 20 0 DBADRM CN1CC[C@H](C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])CC1=O ZINC001571069114 1025810088 /nfs/dbraw/zinc/81/00/88/1025810088.db2.gz DTFQGZGSHKLTCQ-IUCAKERBSA-N -1 0 300.311 -0.813 20 0 DBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001571074317 1025810666 /nfs/dbraw/zinc/81/06/66/1025810666.db2.gz GHMQTHWXGATWIG-SFYZADRCSA-N -1 0 301.324 -0.735 20 0 DBADRM Cc1nnc(C2CN(S(=O)(=O)[C@H]3C[C@@H](C(=O)[O-])C3)C2)[nH]1 ZINC001571072225 1025810910 /nfs/dbraw/zinc/81/09/10/1025810910.db2.gz PCKSOJXESJTJFT-OTSSQURYSA-N -1 0 300.340 -0.295 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NC[C@@H](O)[C@@H]1CCCO1 ZINC001571074351 1025811012 /nfs/dbraw/zinc/81/10/12/1025811012.db2.gz HQKBTSNRHRMDSZ-QCNOEVLYSA-N -1 0 301.339 -0.088 20 0 DBADRM C[C@@H]1[C@H](NC(=O)Cn2ccc(C(=O)[O-])n2)CCS1(=O)=O ZINC001571074613 1025811338 /nfs/dbraw/zinc/81/13/38/1025811338.db2.gz JWFKVPIGBXWNRH-HTQZYQBOSA-N -1 0 301.324 -0.727 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(c2cnc(C(=O)[O-])cn2)C1 ZINC001571072366 1025811857 /nfs/dbraw/zinc/81/18/57/1025811857.db2.gz UZSRGYWKCMFJET-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)N[C@@H](C)C(N)=O)c1 ZINC001571076652 1025812485 /nfs/dbraw/zinc/81/24/85/1025812485.db2.gz GRJZWVZOYMTRCK-LURJTMIESA-N -1 0 302.308 -0.455 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571076656 1025812678 /nfs/dbraw/zinc/81/26/78/1025812678.db2.gz GSTYQVWEMFJXKE-LMLFDSFASA-N -1 0 302.327 -0.733 20 0 DBADRM C[C@](CO)(NC(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC001571076887 1025812932 /nfs/dbraw/zinc/81/29/32/1025812932.db2.gz OAAKDMUHDKFXPB-LLVKDONJSA-N -1 0 302.308 -0.950 20 0 DBADRM Cn1nc(C2CC2)cc1S(=O)(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001571080161 1025814225 /nfs/dbraw/zinc/81/42/25/1025814225.db2.gz NIAXAURDUMKZAP-NSHDSACASA-N -1 0 303.340 -0.589 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)NCCN(C)C(=O)[O-] ZINC001571080276 1025814491 /nfs/dbraw/zinc/81/44/91/1025814491.db2.gz UCGXVVLBOUJKIT-QGZVFWFLSA-N -1 0 302.378 -0.995 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3ccnc(CO)c3)C2)nn1 ZINC001571080205 1025814585 /nfs/dbraw/zinc/81/45/85/1025814585.db2.gz SJNSPXSTQXWEJK-UHFFFAOYSA-N -1 0 303.278 -0.439 20 0 DBADRM O=C([O-])[C@H]1Cc2ccc(O)cc2CN1C(=O)Cn1cnnn1 ZINC001571079634 1025814739 /nfs/dbraw/zinc/81/47/39/1025814739.db2.gz LMQVIMRNUVANLL-LLVKDONJSA-N -1 0 303.278 -0.583 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CC1 ZINC001571079883 1025814943 /nfs/dbraw/zinc/81/49/43/1025814943.db2.gz LYIIUYJCQUZGEJ-ZETCQYMHSA-N -1 0 303.296 -0.662 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)C[C@H]2C=CS(=O)(=O)C2)CCOC1 ZINC001571079886 1025815353 /nfs/dbraw/zinc/81/53/53/1025815353.db2.gz MEBFOIDZEMGBAI-BXKDBHETSA-N -1 0 303.336 -0.458 20 0 DBADRM COC(=O)[C@@]1(F)CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1 ZINC001571079767 1025815453 /nfs/dbraw/zinc/81/54/53/1025815453.db2.gz IJFBBDWWIRTCBV-WBPNIITGSA-N -1 0 303.286 -0.022 20 0 DBADRM CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1(C)C ZINC001571079982 1025815722 /nfs/dbraw/zinc/81/57/22/1025815722.db2.gz RSWHZMFXWUGQKK-UHFFFAOYSA-N -1 0 302.356 -0.177 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2CCO)n[nH]1 ZINC001571079584 1025815841 /nfs/dbraw/zinc/81/58/41/1025815841.db2.gz ICAILUKAKCMNOB-SFYZADRCSA-N -1 0 303.340 -0.063 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)c1occc1C(=O)[O-] ZINC001571084258 1025816234 /nfs/dbraw/zinc/81/62/34/1025816234.db2.gz HLAVHCJDRYHOKT-WRWORJQWSA-N -1 0 305.308 -0.204 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)o1 ZINC001571080826 1025816583 /nfs/dbraw/zinc/81/65/83/1025816583.db2.gz WDPIXZGPHINJDD-JCJUMFQOSA-N -1 0 303.292 -0.609 20 0 DBADRM CC(C)OC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571084259 1025817246 /nfs/dbraw/zinc/81/72/46/1025817246.db2.gz HNYHPKXDTQAFDF-LURJTMIESA-N -1 0 305.312 -0.274 20 0 DBADRM COC1(C(=O)NCc2ccoc2C(=O)[O-])CS(=O)(=O)C1 ZINC001571080888 1025817707 /nfs/dbraw/zinc/81/77/07/1025817707.db2.gz ZAGYBFIEFXOTTA-UHFFFAOYSA-N -1 0 303.292 -0.592 20 0 DBADRM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001571085711 1025819318 /nfs/dbraw/zinc/81/93/18/1025819318.db2.gz CVVNVIBRCVLBBM-JXUBOQSCSA-N -1 0 304.368 -0.316 20 0 DBADRM Cn1cnnc1[C@@H](CO)NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001571084675 1025819592 /nfs/dbraw/zinc/81/95/92/1025819592.db2.gz FODLBEOXALRIOQ-LLVKDONJSA-N -1 0 304.306 -0.094 20 0 DBADRM Cn1cnnc1[C@H](CO)NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001571084676 1025819892 /nfs/dbraw/zinc/81/98/92/1025819892.db2.gz FODLBEOXALRIOQ-NSHDSACASA-N -1 0 304.306 -0.094 20 0 DBADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C1CCCC1 ZINC001571086414 1025820666 /nfs/dbraw/zinc/82/06/66/1025820666.db2.gz MVAPGMTYWWEFTB-ZJUUUORDSA-N -1 0 304.368 -0.172 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001571086266 1025821119 /nfs/dbraw/zinc/82/11/19/1025821119.db2.gz IQUPFYSUXAGACL-ZCFIWIBFSA-N -1 0 304.328 -0.615 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001571086508 1025821488 /nfs/dbraw/zinc/82/14/88/1025821488.db2.gz QITSAVWRMAWLEI-YUMQZZPRSA-N -1 0 304.328 -0.884 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001571087586 1025823049 /nfs/dbraw/zinc/82/30/49/1025823049.db2.gz GERYLGXLBVOPCM-ZJUUUORDSA-N -1 0 305.352 -0.895 20 0 DBADRM O=C([O-])c1cccc(CC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC001571086252 1025821653 /nfs/dbraw/zinc/82/16/53/1025821653.db2.gz YRKNZZCJSQLTNU-GFCCVEGCSA-N -1 0 304.306 -0.304 20 0 DBADRM CCC[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21)S(N)(=O)=O ZINC001571085941 1025821744 /nfs/dbraw/zinc/82/17/44/1025821744.db2.gz FKHSODCPCPIMCG-MQIGXGKASA-N -1 0 304.368 -0.331 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC001571087613 1025822732 /nfs/dbraw/zinc/82/27/32/1025822732.db2.gz HERHZEZIAIHBBU-UTLUCORTSA-N -1 0 305.352 -0.426 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C)O[C@H]1C(=O)[O-] ZINC001571088101 1025823634 /nfs/dbraw/zinc/82/36/34/1025823634.db2.gz SDLYGJYAVXLPBD-UTINFBMNSA-N -1 0 305.352 -0.490 20 0 DBADRM CCN1C[C@H](CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])OC1=O ZINC001571092367 1025824468 /nfs/dbraw/zinc/82/44/68/1025824468.db2.gz SHJMXXSJAREBDL-RKDXNWHRSA-N -1 0 306.340 -0.989 20 0 DBADRM C[C@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@]1(C)C(=O)[O-] ZINC001571093402 1025826285 /nfs/dbraw/zinc/82/62/85/1025826285.db2.gz KMBGOBSEFAFLNV-UFBFGSQYSA-N -1 0 306.384 -0.117 20 0 DBADRM Cc1nccc(NC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])n1 ZINC001571095964 1025826297 /nfs/dbraw/zinc/82/62/97/1025826297.db2.gz GYCKWTLBKYPORG-VIFPVBQESA-N -1 0 307.310 -0.018 20 0 DBADRM NS(=O)(=O)c1ccc(CN2CC[C@](O)(C(=O)[O-])C2)s1 ZINC001571093471 1025826872 /nfs/dbraw/zinc/82/68/72/1025826872.db2.gz NCTIPJPGHQAXCP-SNVBAGLBSA-N -1 0 306.365 -0.583 20 0 DBADRM O=C([O-])c1ccc(NC(=O)N2CC3(C2)CCNC(=O)O3)nn1 ZINC001571095968 1025826971 /nfs/dbraw/zinc/82/69/71/1025826971.db2.gz HEKKBEZBTJHHEG-UHFFFAOYSA-N -1 0 307.266 -0.109 20 0 DBADRM Cc1oc(CN(C)Cc2cn(CC(N)=O)nn2)cc1C(=O)[O-] ZINC001571096643 1025828135 /nfs/dbraw/zinc/82/81/35/1025828135.db2.gz PLEAQANFFVDYIP-UHFFFAOYSA-N -1 0 307.310 -0.005 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)C[C@@H]1CCC2(CCC2)O1)C(=O)[O-] ZINC001571096582 1025828407 /nfs/dbraw/zinc/82/84/07/1025828407.db2.gz NXHXZVDATUGXRY-UTLUCORTSA-N -1 0 307.368 -0.159 20 0 DBADRM Cc1ccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c(=O)[nH]1 ZINC001571096997 1025828489 /nfs/dbraw/zinc/82/84/89/1025828489.db2.gz VLQNLWKYWNDRRL-JTQLQIEISA-N -1 0 307.306 -0.099 20 0 DBADRM CC(C)(C)c1cc(C(=O)N[C@@H](CO)C(=O)[O-])nc2ncnn21 ZINC001571097074 1025828641 /nfs/dbraw/zinc/82/86/41/1025828641.db2.gz VYLUNYQTBXZRBZ-QMMMGPOBSA-N -1 0 307.310 -0.403 20 0 DBADRM Cc1nnccc1NC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001571096675 1025828735 /nfs/dbraw/zinc/82/87/35/1025828735.db2.gz QPVMGDZFGQRANB-JTQLQIEISA-N -1 0 307.310 -0.018 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NC1CCN(C(=O)[O-])CC1 ZINC001571096544 1025828832 /nfs/dbraw/zinc/82/88/32/1025828832.db2.gz NAJHKHWUGXRICP-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM CC(=O)N1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])nn2)C1 ZINC001571096994 1025828890 /nfs/dbraw/zinc/82/88/90/1025828890.db2.gz VICOTFVCEVAQGC-MNOVXSKESA-N -1 0 307.310 -0.982 20 0 DBADRM COC[C@H](CS(=O)(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)OC ZINC001571097006 1025828965 /nfs/dbraw/zinc/82/89/65/1025828965.db2.gz RXBXOGHBUABSET-KLBPJQLPSA-N -1 0 307.368 -0.180 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)c[nH]1 ZINC001571097282 1025829108 /nfs/dbraw/zinc/82/91/08/1025829108.db2.gz YKECEQHOOKZSFP-MNOVXSKESA-N -1 0 307.306 -0.168 20 0 DBADRM CC[C@](COC)(NC(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001571096329 1025829286 /nfs/dbraw/zinc/82/92/86/1025829286.db2.gz LGKAGNDOMRMGMA-GFCCVEGCSA-N -1 0 307.368 -0.193 20 0 DBADRM Cc1nc(CS(=O)(=O)N2CCSC[C@H]2C(=O)[O-])no1 ZINC001571096930 1025829315 /nfs/dbraw/zinc/82/93/15/1025829315.db2.gz QWYDRQNVGCTOSN-ZETCQYMHSA-N -1 0 307.353 -0.290 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001571097343 1025829913 /nfs/dbraw/zinc/82/99/13/1025829913.db2.gz WYXJOBQQGGXFTC-UWVGGRQHSA-N -1 0 307.368 -0.242 20 0 DBADRM C[C@H](Oc1cccc(CO)c1)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001571100262 1025829923 /nfs/dbraw/zinc/82/99/23/1025829923.db2.gz CFYUAPGPSHKYEW-NDMJEZRESA-N -1 0 309.318 -0.007 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NC[C@H](O)C2CCOCC2)CCC1 ZINC001571097344 1025830138 /nfs/dbraw/zinc/83/01/38/1025830138.db2.gz WYYFUKOAWZHTRR-JTQLQIEISA-N -1 0 307.368 -0.299 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)c2cnc(C(=O)[O-])cn2)CCO1 ZINC001571098170 1025830618 /nfs/dbraw/zinc/83/06/18/1025830618.db2.gz NSJIFGXQFFOJFQ-SECBINFHSA-N -1 0 308.294 -0.848 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001571098596 1025830731 /nfs/dbraw/zinc/83/07/31/1025830731.db2.gz VTNDZSVLHARFAS-FNCVBFRFSA-N -1 0 308.294 -0.524 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001571098604 1025830842 /nfs/dbraw/zinc/83/08/42/1025830842.db2.gz VTNDZSVLHARFAS-XSPKLOCKSA-N -1 0 308.294 -0.524 20 0 DBADRM Cn1cc(NC(=O)NC[C@@H](O)Cn2ccnn2)cc1C(=O)[O-] ZINC001571097739 1025831203 /nfs/dbraw/zinc/83/12/03/1025831203.db2.gz DEWNIBYGVKNACN-SECBINFHSA-N -1 0 308.298 -0.503 20 0 DBADRM COC(=O)c1ccc(NC(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001571100222 1025831283 /nfs/dbraw/zinc/83/12/83/1025831283.db2.gz ALWJDCOLPCDSEN-UHFFFAOYSA-N -1 0 309.278 -0.205 20 0 DBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001571100596 1025831718 /nfs/dbraw/zinc/83/17/18/1025831718.db2.gz MCPDAQJTLJLLQZ-WSRBLDQESA-N -1 0 309.278 -0.121 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc2n(n1)CCCC2=O ZINC001571100672 1025832173 /nfs/dbraw/zinc/83/21/73/1025832173.db2.gz NHKQSSZZHCTWOC-UHFFFAOYSA-N -1 0 309.278 -0.441 20 0 DBADRM CCCn1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])nn1 ZINC001571101685 1025832316 /nfs/dbraw/zinc/83/23/16/1025832316.db2.gz FVVWLOUUJVOHMR-JTQLQIEISA-N -1 0 309.326 -0.507 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)NC1(C(=O)[O-])CCOCC1)CC2 ZINC001571101476 1025832354 /nfs/dbraw/zinc/83/23/54/1025832354.db2.gz AROVRWQQBPVUNI-SNVBAGLBSA-N -1 0 308.338 -0.101 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1C(=O)[O-] ZINC001571101150 1025832911 /nfs/dbraw/zinc/83/29/11/1025832911.db2.gz VUCWSIAVRLFMJN-JGVFFNPUSA-N -1 0 309.278 -0.941 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)[C@@]2(F)CCS(=O)(=O)C2)CCOC1 ZINC001571101191 1025833103 /nfs/dbraw/zinc/83/31/03/1025833103.db2.gz WMNATCCLVYAEPB-GHMZBOCLSA-N -1 0 309.315 -0.879 20 0 DBADRM COC[C@@](C)(NS(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1)C(=O)[O-] ZINC001571103128 1025834604 /nfs/dbraw/zinc/83/46/04/1025834604.db2.gz XEDNCTKCAGOUPI-VHSKPIJISA-N -1 0 309.340 -0.653 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)C2=CCOCC2)C1 ZINC001571103252 1025834931 /nfs/dbraw/zinc/83/49/31/1025834931.db2.gz UPLPLLCFVBLJTO-KKOKHZNYSA-N -1 0 308.334 -0.183 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)C2=CCOCC2)C1 ZINC001571103255 1025835053 /nfs/dbraw/zinc/83/50/53/1025835053.db2.gz UPLPLLCFVBLJTO-USZNOCQGSA-N -1 0 308.334 -0.183 20 0 DBADRM Cc1cc(C2(C(=O)N3CC(O)(C(=O)[O-])C3)CCOCC2)on1 ZINC001571105826 1025835630 /nfs/dbraw/zinc/83/56/30/1025835630.db2.gz AKASBHFSSMTZAF-UHFFFAOYSA-N -1 0 310.306 -0.311 20 0 DBADRM CNC(=O)CN1CCCN(C(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001571103540 1025835656 /nfs/dbraw/zinc/83/56/56/1025835656.db2.gz ZHJFOGSLKIPYIO-UHFFFAOYSA-N -1 0 308.338 -0.393 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC001571103505 1025835680 /nfs/dbraw/zinc/83/56/80/1025835680.db2.gz YHIPWDPBQDNYKK-RISCZKNCSA-N -1 0 308.338 -0.220 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCc1ccc[nH]c1=O)C(=O)[O-] ZINC001571106089 1025835782 /nfs/dbraw/zinc/83/57/82/1025835782.db2.gz HUPSRXJGOLHENG-YUMQZZPRSA-N -1 0 310.310 -0.436 20 0 DBADRM Cc1occc1C(=O)NCC(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001571106672 1025835894 /nfs/dbraw/zinc/83/58/94/1025835894.db2.gz ULWANLQPHFPPBI-UHFFFAOYSA-N -1 0 310.306 -0.340 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cnns2)CC1 ZINC001571106119 1025836111 /nfs/dbraw/zinc/83/61/11/1025836111.db2.gz IVDYPMCNLREMNA-HTQZYQBOSA-N -1 0 310.335 -0.457 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cnns2)CC1 ZINC001571106121 1025836171 /nfs/dbraw/zinc/83/61/71/1025836171.db2.gz IVDYPMCNLREMNA-SFYZADRCSA-N -1 0 310.335 -0.457 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)C1=C2CCCN=C2NN1)C(=O)[O-] ZINC001571106228 1025836190 /nfs/dbraw/zinc/83/61/90/1025836190.db2.gz KGNDEUJXSYTKDJ-MRVPVSSYSA-N -1 0 310.310 -0.937 20 0 DBADRM O=C([O-])[C@H](Cc1cncs1)NC(=O)c1cnn(CCO)c1 ZINC001571106217 1025836233 /nfs/dbraw/zinc/83/62/33/1025836233.db2.gz JXVXHVCTFJKVAD-JTQLQIEISA-N -1 0 310.335 -0.242 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC001571106430 1025836354 /nfs/dbraw/zinc/83/63/54/1025836354.db2.gz PDXRLGBFXVIFKJ-ONGXEEELSA-N -1 0 310.306 -0.420 20 0 DBADRM O=C([O-])[C@@H](Cc1cncs1)NC(=O)c1cnn(CCO)c1 ZINC001571106218 1025836564 /nfs/dbraw/zinc/83/65/64/1025836564.db2.gz JXVXHVCTFJKVAD-SNVBAGLBSA-N -1 0 310.335 -0.242 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)NCC2N=NC(=O)N2C2CC2)C1 ZINC001571106857 1025837348 /nfs/dbraw/zinc/83/73/48/1025837348.db2.gz WQBZPDVQOLKAPN-ZETCQYMHSA-N -1 0 310.314 -0.130 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1nc(C(=O)[O-])co1 ZINC001571108581 1025837358 /nfs/dbraw/zinc/83/73/58/1025837358.db2.gz XFDJHGOESNTRCX-LDWIPMOCSA-N -1 0 311.294 -0.735 20 0 DBADRM NS(=O)(=O)c1sccc1C(=O)N[C@H](CCF)C(=O)[O-] ZINC001571106703 1025837752 /nfs/dbraw/zinc/83/77/52/1025837752.db2.gz UWIKKHZGOZRANH-ZCFIWIBFSA-N -1 0 310.328 -0.062 20 0 DBADRM CNC(=O)CN(CC(=O)NC)C(=O)c1cc(C(=O)[O-])oc1C ZINC001571108676 1025837891 /nfs/dbraw/zinc/83/78/91/1025837891.db2.gz ZCWOPIPVSYANDK-UHFFFAOYSA-N -1 0 311.294 -0.780 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)c1cc(C(=O)[O-])[nH]c1C ZINC001571107277 1025838426 /nfs/dbraw/zinc/83/84/26/1025838426.db2.gz XVGMWWMXXVGQTE-KWQFWETISA-N -1 0 310.306 -0.188 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NC1CCN(C(=O)[O-])CC1 ZINC001571107131 1025838527 /nfs/dbraw/zinc/83/85/27/1025838527.db2.gz ZYBFSNOZIUMESA-UHFFFAOYSA-N -1 0 310.310 -0.003 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cc(C(=O)[O-])on2)O1 ZINC001571108016 1025838561 /nfs/dbraw/zinc/83/85/61/1025838561.db2.gz IVRBAFWNHLDINF-CBAPKCEASA-N -1 0 311.294 -0.262 20 0 DBADRM COc1c(C(=O)[O-])ncnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001571106686 1025838760 /nfs/dbraw/zinc/83/87/60/1025838760.db2.gz UUOBQMFCDNLGQR-SECBINFHSA-N -1 0 310.310 -0.475 20 0 DBADRM CCOC(=O)N1C[C@@H](CO)[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001571107093 1025838808 /nfs/dbraw/zinc/83/88/08/1025838808.db2.gz ZGDHQIFRNWFXHX-IUCAKERBSA-N -1 0 310.310 -0.542 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1nc(C(=O)[O-])co1 ZINC001571108583 1025838961 /nfs/dbraw/zinc/83/89/61/1025838961.db2.gz XFDJHGOESNTRCX-QUBYGPBYSA-N -1 0 311.294 -0.735 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H](CO)[C@@H](O)c1cccnc1 ZINC001571111017 1025839496 /nfs/dbraw/zinc/83/94/96/1025839496.db2.gz CKONYPVQMRCINE-SRVKXCTJSA-N -1 0 311.338 -0.116 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)CCCC(=O)[O-] ZINC001571111198 1025840500 /nfs/dbraw/zinc/84/05/00/1025840500.db2.gz GMOTYMIJAISTII-VIFPVBQESA-N -1 0 311.356 -0.309 20 0 DBADRM Cc1ccccc1S(=O)(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001571111614 1025840617 /nfs/dbraw/zinc/84/06/17/1025840617.db2.gz CHUXFHJHYGEKRV-JTQLQIEISA-N -1 0 312.347 -0.089 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NC(=O)CCCn1cncn1 ZINC001571111573 1025840697 /nfs/dbraw/zinc/84/06/97/1025840697.db2.gz AXQBMWWJZFZGFO-JTQLQIEISA-N -1 0 312.326 -0.219 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@](C)(CO)C(=O)[O-] ZINC001571112523 1025841015 /nfs/dbraw/zinc/84/10/15/1025841015.db2.gz GDGMYAXUSFHAOM-SECBINFHSA-N -1 0 311.747 -0.504 20 0 DBADRM COC(=O)[C@H](CNC(=O)c1cc(C(=O)[O-])no1)[C@@H]1CCOC1 ZINC001571112831 1025841049 /nfs/dbraw/zinc/84/10/49/1025841049.db2.gz SVWSTZOVAYCIGW-HTQZYQBOSA-N -1 0 312.278 -0.072 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)O1 ZINC001571112734 1025841093 /nfs/dbraw/zinc/84/10/93/1025841093.db2.gz QXNHYZADQOYZQI-ZNSHCXBVSA-N -1 0 312.322 -0.875 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC2(CC1)C[N@H+](CCO)CCO2 ZINC001571114819 1025841214 /nfs/dbraw/zinc/84/12/14/1025841214.db2.gz BESPTCLRYBWFKI-VXGBXAGGSA-N -1 0 312.366 -0.607 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001571112241 1025841288 /nfs/dbraw/zinc/84/12/88/1025841288.db2.gz ARUZTILTPXOSJT-QMMMGPOBSA-N -1 0 311.381 -0.795 20 0 DBADRM CN(C)c1n[nH]c(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC001571112737 1025841563 /nfs/dbraw/zinc/84/15/63/1025841563.db2.gz QXRINQUEWMIFDG-MRVPVSSYSA-N -1 0 312.330 -0.744 20 0 DBADRM CCOC(=O)NCCC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001571112702 1025841671 /nfs/dbraw/zinc/84/16/71/1025841671.db2.gz QLKQAQGHQDLKOD-CYBMUJFWSA-N -1 0 312.326 -0.021 20 0 DBADRM O=C([O-])[C@H]1CSCCN1C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001571112663 1025842033 /nfs/dbraw/zinc/84/20/33/1025842033.db2.gz PPCHOEZVGPLSTH-OPRDCNLKSA-N -1 0 312.351 -0.384 20 0 DBADRM NS(=O)(=O)C1(C(=O)NCCc2ccccc2C(=O)[O-])CC1 ZINC001571112677 1025842240 /nfs/dbraw/zinc/84/22/40/1025842240.db2.gz QBEJCVDZXCLDFV-UHFFFAOYSA-N -1 0 312.347 -0.135 20 0 DBADRM COCc1nocc1C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001571113015 1025842250 /nfs/dbraw/zinc/84/22/50/1025842250.db2.gz VORPOCBCFDQFGK-JGVFFNPUSA-N -1 0 312.278 -0.233 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)NCCC(=O)NCCC(=O)[O-])o1 ZINC001571118247 1025843061 /nfs/dbraw/zinc/84/30/61/1025843061.db2.gz BPTCUBPMPDLTTI-ZETCQYMHSA-N -1 0 313.314 -0.281 20 0 DBADRM CS(=O)(=O)Cc1n[nH]c(CNCc2c[nH]c(C(=O)[O-])c2)n1 ZINC001571118600 1025843074 /nfs/dbraw/zinc/84/30/74/1025843074.db2.gz HQKJZISCQMCFIU-UHFFFAOYSA-N -1 0 313.339 -0.335 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)N3CC[C@@H](O)[C@@H](CO)C3)[C@@H]2C1 ZINC001571116197 1025843702 /nfs/dbraw/zinc/84/37/02/1025843702.db2.gz XYHRUYWVENWCRW-WXCVZDNMSA-N -1 0 312.366 -0.130 20 0 DBADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001571116587 1025844234 /nfs/dbraw/zinc/84/42/34/1025844234.db2.gz JTCKCSMXNMEIHW-RKDXNWHRSA-N -1 0 313.397 -0.454 20 0 DBADRM CS(=O)(=O)c1cccnc1C(=O)N1CCN(C(=O)[O-])CC1 ZINC001571118549 1025844282 /nfs/dbraw/zinc/84/42/82/1025844282.db2.gz GKLWDSKLFXMKGZ-UHFFFAOYSA-N -1 0 313.335 -0.079 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571115815 1025844337 /nfs/dbraw/zinc/84/43/37/1025844337.db2.gz PMRYGRHRBORKMP-GHMZBOCLSA-N -1 0 312.370 -0.878 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)c3ccnnc3)C2)nc1 ZINC001571119512 1025844808 /nfs/dbraw/zinc/84/48/08/1025844808.db2.gz GLZIEZRRLBTOAE-NSHDSACASA-N -1 0 314.305 -0.027 20 0 DBADRM CC(=O)N[C@@H]1CCN(S(=O)(=O)c2cccnc2C(=O)[O-])C1 ZINC001571118928 1025845470 /nfs/dbraw/zinc/84/54/70/1025845470.db2.gz MXYDUQIELYSIOJ-SECBINFHSA-N -1 0 313.335 -0.321 20 0 DBADRM O=C([O-])c1ncoc1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001571119252 1025845563 /nfs/dbraw/zinc/84/55/63/1025845563.db2.gz ADOUJRUSIUCYOI-UHFFFAOYSA-N -1 0 314.319 -0.186 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)o1 ZINC001571120286 1025845715 /nfs/dbraw/zinc/84/57/15/1025845715.db2.gz SLJYLQHUIXYPRW-LTMDPNIMSA-N -1 0 314.319 -0.090 20 0 DBADRM Cc1nnc(C2CN(S(=O)(=O)c3cc(C(=O)[O-])no3)C2)[nH]1 ZINC001571118968 1025845868 /nfs/dbraw/zinc/84/58/68/1025845868.db2.gz OPFQNWDUZSLWEN-UHFFFAOYSA-N -1 0 313.295 -0.413 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)CC1C(=O)N=CNC1=O ZINC001571119061 1025845902 /nfs/dbraw/zinc/84/59/02/1025845902.db2.gz RYJVMNHFUJXOBD-ZETCQYMHSA-N -1 0 313.335 -0.151 20 0 DBADRM C[C@@H](NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C1N=NC(=O)N1C ZINC001571119076 1025845975 /nfs/dbraw/zinc/84/59/75/1025845975.db2.gz SVFYXUIVVCADLI-BWZBUEFSSA-N -1 0 313.314 -0.629 20 0 DBADRM CS(=O)(=O)CC1(NC(=O)c2ccc(C(=O)[O-])nc2)COC1 ZINC001571120323 1025846078 /nfs/dbraw/zinc/84/60/78/1025846078.db2.gz UOPSEVDBAYIOBO-UHFFFAOYSA-N -1 0 314.319 -0.677 20 0 DBADRM C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nn2)CCS1(=O)=O ZINC001571120120 1025846371 /nfs/dbraw/zinc/84/63/71/1025846371.db2.gz QWVHDULSLDXFCH-SSDOTTSWSA-N -1 0 314.323 -0.174 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC(=O)N(CC3CC3)C2)n[nH]1 ZINC001571120282 1025846493 /nfs/dbraw/zinc/84/64/93/1025846493.db2.gz SDCVAPUYPPSOEI-UHFFFAOYSA-N -1 0 314.323 -0.692 20 0 DBADRM NC(=O)C12CCC(CC1)N2S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001571123973 1025847119 /nfs/dbraw/zinc/84/71/19/1025847119.db2.gz ZLAMPPVMGVVYIX-UHFFFAOYSA-N -1 0 315.307 -0.456 20 0 DBADRM COC(=O)CC1(CNC(=O)N2CC(O)(C(=O)[O-])C2)CCCC1 ZINC001571123567 1025847502 /nfs/dbraw/zinc/84/75/02/1025847502.db2.gz SDLSZTUSPZMCAF-UHFFFAOYSA-N -1 0 314.338 -0.049 20 0 DBADRM Cn1nc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cc1Cl ZINC001571122875 1025847540 /nfs/dbraw/zinc/84/75/40/1025847540.db2.gz JEWOVSHPSDLARW-QMMMGPOBSA-N -1 0 314.729 -0.121 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@](C)(COC)CC(=O)[O-])nn1 ZINC001571123885 1025847634 /nfs/dbraw/zinc/84/76/34/1025847634.db2.gz VFJZOILUXGZPQO-ZANVPECISA-N -1 0 314.342 -0.341 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCCN(CC(N)=O)CC1 ZINC001571122736 1025847932 /nfs/dbraw/zinc/84/79/32/1025847932.db2.gz HZZDNMQERANQKK-JQWIXIFHSA-N -1 0 314.386 -0.312 20 0 DBADRM O=C([O-])NCC(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001571122538 1025847974 /nfs/dbraw/zinc/84/79/74/1025847974.db2.gz GOVBUGTTZUFACV-UHFFFAOYSA-N -1 0 314.342 -0.713 20 0 DBADRM CC(C)(O)[C@@H](O)C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC001571122895 1025848118 /nfs/dbraw/zinc/84/81/18/1025848118.db2.gz JREQTXCEXWCVPW-MNOVXSKESA-N -1 0 315.297 -0.094 20 0 DBADRM NS(=O)(=O)c1cccc(CN2CCC[C@H](O)[C@H]2C(=O)[O-])c1 ZINC001571123939 1025848208 /nfs/dbraw/zinc/84/82/08/1025848208.db2.gz WPCVCISFFSLKMW-RYUDHWBXSA-N -1 0 314.363 -0.256 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)Cn2ccc(C(=O)[O-])n2)CCC1 ZINC001571126644 1025848838 /nfs/dbraw/zinc/84/88/38/1025848838.db2.gz USSYXUCTBGNIFB-UHFFFAOYSA-N -1 0 315.351 -0.335 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCNC(=O)CC1 ZINC001571126582 1025848956 /nfs/dbraw/zinc/84/89/56/1025848956.db2.gz SOJXNDBLYUYIGL-SECBINFHSA-N -1 0 315.351 -0.330 20 0 DBADRM O=C([O-])N1CCC(NC(=O)N2C[C@H](CO)[C@H](CCO)C2)CC1 ZINC001571126562 1025849061 /nfs/dbraw/zinc/84/90/61/1025849061.db2.gz UNQLPKSCTOBRBX-GHMZBOCLSA-N -1 0 315.370 -0.239 20 0 DBADRM O=C([O-])c1ccccc1CS(=O)(=O)N1CC(CO)(CO)C1 ZINC001571126214 1025849132 /nfs/dbraw/zinc/84/91/32/1025849132.db2.gz OGHXJINRKPQMKI-UHFFFAOYSA-N -1 0 315.347 -0.499 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cnc1N ZINC001571125393 1025849375 /nfs/dbraw/zinc/84/93/75/1025849375.db2.gz FTYNEIZSTXIEKU-ZJUUUORDSA-N -1 0 315.351 -0.429 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@@H](C)[C@@H](CO)C1)C(=O)[O-] ZINC001571126458 1025849478 /nfs/dbraw/zinc/84/94/78/1025849478.db2.gz RPKRXGDPASCCIO-VPOLOUISSA-N -1 0 315.370 -0.376 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@@H]1CCC[C@@H](O)C1)C(=O)[O-] ZINC001571126802 1025849484 /nfs/dbraw/zinc/84/94/84/1025849484.db2.gz ZZCZNSFJSIQAOI-UKKRHICBSA-N -1 0 315.370 -0.186 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2CC(CO)(CO)C2)cc1 ZINC001571126590 1025849568 /nfs/dbraw/zinc/84/95/68/1025849568.db2.gz SQTFVQKZEPALMQ-UHFFFAOYSA-N -1 0 315.347 -0.711 20 0 DBADRM CSCC[C@H](NCc1cn(CC(=O)[O-])nn1)C(=O)N(C)C ZINC001571126745 1025849693 /nfs/dbraw/zinc/84/96/93/1025849693.db2.gz XQXKONFMFOISIV-JTQLQIEISA-N -1 0 315.399 -0.338 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@H](CO)[C@@H](O)c2cccnc2)nc1 ZINC001571130964 1025851036 /nfs/dbraw/zinc/85/10/36/1025851036.db2.gz MNKGBXPQFLGUMM-OLZOCXBDSA-N -1 0 317.301 -0.001 20 0 DBADRM CS(=O)(=O)C[C@H](O)CNC(=O)c1ccc(NC(=O)[O-])cc1 ZINC001571128004 1025851869 /nfs/dbraw/zinc/85/18/69/1025851869.db2.gz HTTARSOKGLWBPP-SNVBAGLBSA-N -1 0 316.335 -0.088 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])c(F)c1 ZINC001571128647 1025851892 /nfs/dbraw/zinc/85/18/92/1025851892.db2.gz PHYXUGTWYMPTQD-HZGVNTEJSA-N -1 0 316.310 -0.076 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NCc1ccc(=O)[nH]n1 ZINC001571129152 1025851927 /nfs/dbraw/zinc/85/19/27/1025851927.db2.gz ZWXKHOJECBXHHJ-UHFFFAOYSA-N -1 0 316.320 -0.185 20 0 DBADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)N(C)CCC(N)=O)c1 ZINC001571128022 1025852176 /nfs/dbraw/zinc/85/21/76/1025852176.db2.gz IIQBYWVAYZXQOJ-UHFFFAOYSA-N -1 0 316.335 -0.111 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NC[C@H](O)CC(=O)[O-])C1 ZINC001571131464 1025852648 /nfs/dbraw/zinc/85/26/48/1025852648.db2.gz HOKQZLRTIRCIPM-NXEZZACHSA-N -1 0 316.354 -0.788 20 0 DBADRM CC1(C)COC(=O)[C@@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001571132801 1025855015 /nfs/dbraw/zinc/85/50/15/1025855015.db2.gz GCMQLCQXDCJHCN-VIFPVBQESA-N -1 0 317.323 -0.802 20 0 DBADRM CC[C@H](C)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(N)=O ZINC001571133030 1025855151 /nfs/dbraw/zinc/85/51/51/1025855151.db2.gz GJOBJJBXXSWSGB-XVKPBYJWSA-N -1 0 317.367 -0.098 20 0 DBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001571133163 1025855264 /nfs/dbraw/zinc/85/52/64/1025855264.db2.gz LDCWAGBBZYUABB-OGXFKERWSA-N -1 0 317.319 -0.301 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571133032 1025855441 /nfs/dbraw/zinc/85/54/41/1025855441.db2.gz GLKSJXRURPBCGJ-LDYMZIIASA-N -1 0 317.367 -0.250 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571132936 1025855584 /nfs/dbraw/zinc/85/55/84/1025855584.db2.gz CTPHXBMQJUBNPO-DBIOUOCHSA-N -1 0 317.363 -0.346 20 0 DBADRM C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001571132917 1025855630 /nfs/dbraw/zinc/85/56/30/1025855630.db2.gz HTMABOZOTCXTCT-XVKPBYJWSA-N -1 0 317.309 -0.135 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001571132921 1025855707 /nfs/dbraw/zinc/85/57/07/1025855707.db2.gz CBTVANCLOWWSSO-XVKPBYJWSA-N -1 0 317.367 -0.100 20 0 DBADRM CCOC(=O)CN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571132877 1025855888 /nfs/dbraw/zinc/85/58/88/1025855888.db2.gz HBKUCFYXDVOWDA-UHFFFAOYSA-N -1 0 317.323 -0.176 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C1CC1 ZINC001571132948 1025855920 /nfs/dbraw/zinc/85/59/20/1025855920.db2.gz IFURRSMIFJUDOM-SSDOTTSWSA-N -1 0 317.323 -0.272 20 0 DBADRM O=C([O-])C1(O)CCN(C(=O)c2cc3c(=O)[nH]cnc3cn2)CC1 ZINC001571138260 1025856792 /nfs/dbraw/zinc/85/67/92/1025856792.db2.gz UHHGZQIKUPIPRB-UHFFFAOYSA-N -1 0 318.289 -0.218 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)C[C@@H](C(=O)[O-])O1 ZINC001571138530 1025857079 /nfs/dbraw/zinc/85/70/79/1025857079.db2.gz ZDCZTAMTLYQBFK-XCBNKYQSSA-N -1 0 318.293 -0.424 20 0 DBADRM Cn1cc(C(=O)CNC(=O)Cn2cccc(C(=O)[O-])c2=O)cn1 ZINC001571138249 1025857440 /nfs/dbraw/zinc/85/74/40/1025857440.db2.gz SXGNDMVCBZSLHV-UHFFFAOYSA-N -1 0 318.289 -0.721 20 0 DBADRM Cc1ncn(CC(=O)NCCC(=O)[O-])c(=O)c1Br ZINC001571138243 1025857458 /nfs/dbraw/zinc/85/74/58/1025857458.db2.gz STOREWPGNWHDJI-UHFFFAOYSA-N -1 0 318.127 -0.095 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(-n2cnnn2)c1 ZINC001571133612 1025857559 /nfs/dbraw/zinc/85/75/59/1025857559.db2.gz VGJTVJJGPPMNIT-ZYHUDNBSSA-N -1 0 317.305 -0.118 20 0 DBADRM CNC(=O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)C(C)C ZINC001571133659 1025857648 /nfs/dbraw/zinc/85/76/48/1025857648.db2.gz SZHBSBFGQVDCDX-JTQLQIEISA-N -1 0 317.367 -0.228 20 0 DBADRM COC(=O)[C@]1(C)CCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571133549 1025857736 /nfs/dbraw/zinc/85/77/36/1025857736.db2.gz SSASEYCODTUBOE-NSHDSACASA-N -1 0 317.323 -0.176 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C[C@H]1CCOC[C@H]1OC ZINC001571133856 1025857912 /nfs/dbraw/zinc/85/79/12/1025857912.db2.gz YJFJRBUOJJSQEX-GMTAPVOTSA-N -1 0 317.338 -0.049 20 0 DBADRM CN1CCN(S(=O)(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC1 ZINC001571138259 1025857983 /nfs/dbraw/zinc/85/79/83/1025857983.db2.gz UGNSXTYZPRAWJL-NSHDSACASA-N -1 0 317.411 -0.335 20 0 DBADRM NS(=O)(=O)c1ccc(CN2CC[C@@](O)(C(=O)[O-])C2)c(F)c1 ZINC001571140073 1025858619 /nfs/dbraw/zinc/85/86/19/1025858619.db2.gz OQPYNOBYVZEZLV-LBPRGKRZSA-N -1 0 318.326 -0.506 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001571140889 1025858976 /nfs/dbraw/zinc/85/89/76/1025858976.db2.gz UJGVKYZSDIQVFT-CABZTGNLSA-N -1 0 318.351 -0.991 20 0 DBADRM C[C@H]1CCn2cc(C(=O)N[C@H](Cn3cncn3)C(=O)[O-])nc2C1 ZINC001571139852 1025859437 /nfs/dbraw/zinc/85/94/37/1025859437.db2.gz ONUBFTFNPULHJV-GXSJLCMTSA-N -1 0 318.337 -0.060 20 0 DBADRM COC(=O)[C@H](CCC1OCCO1)NC(=O)C(C)(C)NC(=O)[O-] ZINC001571140305 1025859813 /nfs/dbraw/zinc/85/98/13/1025859813.db2.gz RWOHHNGNJSQNIS-QMMMGPOBSA-N -1 0 318.326 -0.157 20 0 DBADRM CCOC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571138956 1025859941 /nfs/dbraw/zinc/85/99/41/1025859941.db2.gz IELVSDVYLWUHCE-XHNCKOQMSA-N -1 0 318.351 -0.124 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001571142922 1025860381 /nfs/dbraw/zinc/86/03/81/1025860381.db2.gz DNIWXSHWLQSYJS-BBBLOLIVSA-N -1 0 319.321 -0.691 20 0 DBADRM CCO[C@@H](CS(=O)(=O)NC1(C(=O)[O-])CC(CO)C1)C1CC1 ZINC001571154632 1025873740 /nfs/dbraw/zinc/87/37/40/1025873740.db2.gz QQEHADVPTGNVLU-QDYJBQRPSA-N -1 0 321.395 -0.053 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001571142025 1025860638 /nfs/dbraw/zinc/86/06/38/1025860638.db2.gz VIFQSUPDJSPKNN-UHFFFAOYSA-N -1 0 319.277 -0.120 20 0 DBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001571142921 1025860733 /nfs/dbraw/zinc/86/07/33/1025860733.db2.gz DNIWXSHWLQSYJS-AEJSXWLSSA-N -1 0 319.321 -0.691 20 0 DBADRM COc1ccc2nc(CN3CC(=O)N(C)C[C@H]3C(=O)[O-])[nH]c2n1 ZINC001571142980 1025860804 /nfs/dbraw/zinc/86/08/04/1025860804.db2.gz GJKANHAIGSNLQG-VIFPVBQESA-N -1 0 319.321 -0.306 20 0 DBADRM Cc1cnc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001571141513 1025861598 /nfs/dbraw/zinc/86/15/98/1025861598.db2.gz XNWDEFLZRDQEDR-XWLWVQCSSA-N -1 0 318.333 -0.117 20 0 DBADRM O=C([O-])C[NH+]1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001571141783 1025861629 /nfs/dbraw/zinc/86/16/29/1025861629.db2.gz RHJUCSVVNKUSSN-UHFFFAOYSA-N -1 0 319.305 -0.478 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001571143328 1025863199 /nfs/dbraw/zinc/86/31/99/1025863199.db2.gz SPEKZPQGKMHATJ-UHFFFAOYSA-N -1 0 319.343 -0.869 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N[C@H](C(=O)[O-])c2cccnc2)nn1 ZINC001571143478 1025863405 /nfs/dbraw/zinc/86/34/05/1025863405.db2.gz ZRMPIIXOUXQBKU-JQWIXIFHSA-N -1 0 319.321 0.000 20 0 DBADRM Cc1nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(=O)[O-])co1 ZINC001571143125 1025863581 /nfs/dbraw/zinc/86/35/81/1025863581.db2.gz MAFBUTYPZSFUJA-KUNJHIDRSA-N -1 0 319.317 -0.110 20 0 DBADRM Cc1cccc2c(=O)n(CC(=O)NCC[C@H](O)C(=O)[O-])cnc12 ZINC001571143394 1025863746 /nfs/dbraw/zinc/86/37/46/1025863746.db2.gz VYEZGCQAPJZLTJ-NSHDSACASA-N -1 0 319.317 -0.343 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)NC[C@H]2CCCS(=O)(=O)C2)C1 ZINC001571144586 1025865135 /nfs/dbraw/zinc/86/51/35/1025865135.db2.gz PLCWYRPELGUJJQ-ZJUUUORDSA-N -1 0 319.383 -0.137 20 0 DBADRM C[C@]1(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CCCS1(=O)=O ZINC001571144845 1025865157 /nfs/dbraw/zinc/86/51/57/1025865157.db2.gz ZIIMOSLANQJKST-GXFFZTMASA-N -1 0 319.379 -0.362 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001571144623 1025865210 /nfs/dbraw/zinc/86/52/10/1025865210.db2.gz QQWFKKRVTUMIQD-OPRDCNLKSA-N -1 0 319.383 -0.570 20 0 DBADRM Cc1ncc(NC(=O)c2cnn(C[C@@H](O)CO)c2)cc1C(=O)[O-] ZINC001571145629 1025865223 /nfs/dbraw/zinc/86/52/23/1025865223.db2.gz FBGXJILZEGXKRL-LLVKDONJSA-N -1 0 320.305 -0.110 20 0 DBADRM Cn1ncnc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001571144596 1025865387 /nfs/dbraw/zinc/86/53/87/1025865387.db2.gz PVQLRFMUGHSHGK-WHOHXGKFSA-N -1 0 319.365 -0.289 20 0 DBADRM Cc1nocc1S(=O)(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001571145572 1025865437 /nfs/dbraw/zinc/86/54/37/1025865437.db2.gz CGCQJDHDYMXFJZ-QMMMGPOBSA-N -1 0 320.323 -0.132 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)cs1 ZINC001571146097 1025866147 /nfs/dbraw/zinc/86/61/47/1025866147.db2.gz RJCOHQCJCXYVMF-XGAOUMNUSA-N -1 0 320.348 -0.897 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC001571145759 1025866268 /nfs/dbraw/zinc/86/62/68/1025866268.db2.gz JIAPNGJEHJVHLG-NXEZZACHSA-N -1 0 320.301 -0.018 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001571146119 1025866454 /nfs/dbraw/zinc/86/64/54/1025866454.db2.gz ROWLEYPSELEJFM-DMWPJOQESA-N -1 0 320.349 -0.316 20 0 DBADRM CN(C1CS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001571145783 1025867039 /nfs/dbraw/zinc/86/70/39/1025867039.db2.gz JTRMJGZANIIUOO-UHFFFAOYSA-N -1 0 320.348 -0.803 20 0 DBADRM CS(=O)(=O)C1CN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC001571146218 1025867114 /nfs/dbraw/zinc/86/71/14/1025867114.db2.gz UJQCZCFQSGVFAK-UHFFFAOYSA-N -1 0 320.348 -0.803 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001571145808 1025867350 /nfs/dbraw/zinc/86/73/50/1025867350.db2.gz KQEZDNUTHOCNHQ-HKWIRBFKSA-N -1 0 320.349 -0.316 20 0 DBADRM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)CN1CCC(=O)NC1=O ZINC001571146143 1025867398 /nfs/dbraw/zinc/86/73/98/1025867398.db2.gz RYZHDXPSHNZRPU-UHFFFAOYSA-N -1 0 320.305 -0.320 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001571146118 1025867561 /nfs/dbraw/zinc/86/75/61/1025867561.db2.gz ROWLEYPSELEJFM-BSJXLVFVSA-N -1 0 320.349 -0.316 20 0 DBADRM C[C@@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@@H](C(=O)[O-])O1 ZINC001571149281 1025868963 /nfs/dbraw/zinc/86/89/63/1025868963.db2.gz RGXIZLLKTHZFLR-VDDIYKPWSA-N -1 0 320.367 -0.841 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NCCN1CCNC1=O ZINC001571148885 1025869373 /nfs/dbraw/zinc/86/93/73/1025869373.db2.gz FRFCETYOSRINFH-UHFFFAOYSA-N -1 0 320.352 -0.855 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001571148988 1025869392 /nfs/dbraw/zinc/86/93/92/1025869392.db2.gz IHMMYHSRVOJVBS-DDHJBXDOSA-N -1 0 320.349 -0.385 20 0 DBADRM C[C@]1(CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCS(=O)(=O)N1 ZINC001571149065 1025869442 /nfs/dbraw/zinc/86/94/42/1025869442.db2.gz LCHYXSXIGGJBAI-HLUHBDAQSA-N -1 0 320.367 -0.936 20 0 DBADRM C[C@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@@H](C(=O)[O-])O1 ZINC001571149278 1025869532 /nfs/dbraw/zinc/86/95/32/1025869532.db2.gz RGXIZLLKTHZFLR-AUTRQRHGSA-N -1 0 320.367 -0.841 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001571151004 1025870096 /nfs/dbraw/zinc/87/00/96/1025870096.db2.gz QGCMFJPDSCEKFZ-UTINFBMNSA-N -1 0 321.337 -0.542 20 0 DBADRM COC(=O)CCCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001571150550 1025870224 /nfs/dbraw/zinc/87/02/24/1025870224.db2.gz JKOPYXCVFZYSOB-VIFPVBQESA-N -1 0 321.351 -0.570 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)CN1CCCNC1=O ZINC001571150516 1025870514 /nfs/dbraw/zinc/87/05/14/1025870514.db2.gz IKPPADMDQPBPQZ-SECBINFHSA-N -1 0 321.337 -0.052 20 0 DBADRM COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)CCCC(=O)[O-] ZINC001571150965 1025870836 /nfs/dbraw/zinc/87/08/36/1025870836.db2.gz PLQUAOXXEAUULM-SECBINFHSA-N -1 0 321.351 -0.570 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)n1 ZINC001571151166 1025871061 /nfs/dbraw/zinc/87/10/61/1025871061.db2.gz RPVZGVYPLLUWSU-JTQLQIEISA-N -1 0 321.337 -0.356 20 0 DBADRM CN1CCN(S(=O)(=O)C2CCC(C(=O)[O-])CC2)C[C@@H]1CO ZINC001571150171 1025871139 /nfs/dbraw/zinc/87/11/39/1025871139.db2.gz ZAADYKJVVXIUCY-MOENNCHZSA-N -1 0 320.411 -0.432 20 0 DBADRM Cn1nncc1C(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001571151488 1025871968 /nfs/dbraw/zinc/87/19/68/1025871968.db2.gz XWZLTXZJDZUKAL-ZJUUUORDSA-N -1 0 321.337 -0.743 20 0 DBADRM CN(C)C(=O)c1ccnc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)c1 ZINC001571152809 1025872167 /nfs/dbraw/zinc/87/21/67/1025872167.db2.gz GALZYSLLZICSHI-CQSZACIVSA-N -1 0 322.321 -0.163 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)c2cn(C(F)(F)CO)nn2)CCSC1 ZINC001571152515 1025872207 /nfs/dbraw/zinc/87/22/07/1025872207.db2.gz CZKKTDWNRFZPJM-SECBINFHSA-N -1 0 322.293 -0.490 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC001571152856 1025872406 /nfs/dbraw/zinc/87/24/06/1025872406.db2.gz HKJDMLOTBOMZHB-JTQLQIEISA-N -1 0 322.321 -0.450 20 0 DBADRM C[C@H](O)[C@@H](O)CNC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001571152763 1025872587 /nfs/dbraw/zinc/87/25/87/1025872587.db2.gz FBJMGFMDNIPVOA-UFBFGSQYSA-N -1 0 322.321 -0.016 20 0 DBADRM COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C(=O)[O-] ZINC001571152395 1025873025 /nfs/dbraw/zinc/87/30/25/1025873025.db2.gz AMOHQGHBRAYKBM-IVZWLZJFSA-N -1 0 322.321 -0.391 20 0 DBADRM CN(Cc1nnc2c(=O)n(C)ccn12)C(=O)C(C)(C)NC(=O)[O-] ZINC001571152850 1025873137 /nfs/dbraw/zinc/87/31/37/1025873137.db2.gz GWLITZFOYRFLTG-UHFFFAOYSA-N -1 0 322.325 -0.567 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)N[C@@]3(CC(=O)[O-])CCOC3)C2)cn1 ZINC001571153751 1025874079 /nfs/dbraw/zinc/87/40/79/1025874079.db2.gz QMEFLRMUYAVNTC-SMDDNHRTSA-N -1 0 322.321 -0.337 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]cc3F)C[C@H]21 ZINC001571154551 1025874315 /nfs/dbraw/zinc/87/43/15/1025874315.db2.gz YZYCUVLWTAANSI-KUIGQIJESA-N -1 0 322.296 -0.544 20 0 DBADRM C[C@H](NC(=O)c1cc(C(=O)[O-])nn1C)C(=O)NCC(F)(F)F ZINC001571153708 1025874383 /nfs/dbraw/zinc/87/43/83/1025874383.db2.gz QBLKYBKEFAQKRR-YFKPBYRVSA-N -1 0 322.243 -0.085 20 0 DBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001571156314 1025876291 /nfs/dbraw/zinc/87/62/91/1025876291.db2.gz RRUMAWKLVMZZGQ-RTBKNWGFSA-N -1 0 322.383 -0.608 20 0 DBADRM COC(=O)[C@](C)(CCF)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571159979 1025877844 /nfs/dbraw/zinc/87/78/44/1025877844.db2.gz RRENBZFHWDRWHL-JTQLQIEISA-N -1 0 323.302 -0.323 20 0 DBADRM CC(C)C[C@@H](C(N)=O)N(C)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001571158579 1025878859 /nfs/dbraw/zinc/87/88/59/1025878859.db2.gz OMKPMAYIUJZWRU-NSHDSACASA-N -1 0 323.349 -0.095 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)CNC(=O)c2ncccc2O)CCO1 ZINC001571159957 1025879288 /nfs/dbraw/zinc/87/92/88/1025879288.db2.gz QTNJDSIWHXMKNV-SECBINFHSA-N -1 0 323.305 -0.781 20 0 DBADRM C[C@H]1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C[C@@H](C(=O)[O-])O1 ZINC001571163890 1025879677 /nfs/dbraw/zinc/87/96/77/1025879677.db2.gz UYCGXIOQMRLRKS-UMNHJUIQSA-N -1 0 324.337 -0.371 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])ccn1 ZINC001571163042 1025879928 /nfs/dbraw/zinc/87/99/28/1025879928.db2.gz DLAQIEUCNQLPLG-SECBINFHSA-N -1 0 324.289 -0.186 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C1 ZINC001571163246 1025879990 /nfs/dbraw/zinc/87/99/90/1025879990.db2.gz IWLHMNFENWBVFA-RKDXNWHRSA-N -1 0 324.337 -0.487 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)CNC(=O)N3CCCC3)C2)C1 ZINC001571163427 1025880231 /nfs/dbraw/zinc/88/02/31/1025880231.db2.gz LKYNJPANZOHIFS-CQSZACIVSA-N -1 0 324.337 -0.376 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N[C@H](CO)[C@H]2CCCOC2)c1=O ZINC001571163926 1025880320 /nfs/dbraw/zinc/88/03/20/1025880320.db2.gz WVJYHLUXZDSJFC-CMPLNLGQSA-N -1 0 324.333 -0.550 20 0 DBADRM COCC(=O)N1CCC(O)(CNc2ncc(C(=O)[O-])cn2)CC1 ZINC001571163216 1025880588 /nfs/dbraw/zinc/88/05/88/1025880588.db2.gz HPMKZNHBRDSIBP-UHFFFAOYSA-N -1 0 324.337 -0.413 20 0 DBADRM O=C([O-])c1cccn(CC(=O)N[C@H](CO)[C@@H]2CCCOC2)c1=O ZINC001571163929 1025880670 /nfs/dbraw/zinc/88/06/70/1025880670.db2.gz WVJYHLUXZDSJFC-ZYHUDNBSSA-N -1 0 324.333 -0.550 20 0 DBADRM CO[C@@H]1CN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)[C@](C)(C(=O)[O-])C1 ZINC001571163577 1025881014 /nfs/dbraw/zinc/88/10/14/1025881014.db2.gz NBSRMOGXNGJXSQ-AGSIJNCFSA-N -1 0 324.337 -0.322 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCc3nnnn3CC2)C[C@@H](C(=O)[O-])O1 ZINC001571166373 1025881962 /nfs/dbraw/zinc/88/19/62/1025881962.db2.gz VYIFMOZSGWWQRB-UTLUCORTSA-N -1 0 324.341 -0.739 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2cnsn2)CC1 ZINC001571165362 1025882531 /nfs/dbraw/zinc/88/25/31/1025882531.db2.gz MGIFUAJDKMLTEP-DTWKUNHWSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001571165721 1025883026 /nfs/dbraw/zinc/88/30/26/1025883026.db2.gz OQXNPBZOGFFXRT-QJPTWQEYSA-N -1 0 324.358 -0.105 20 0 DBADRM CN(CCOCCNC(=O)c1ccnnc1)Cc1n[nH]c(=O)[n-]1 ZINC001571343655 1025898003 /nfs/dbraw/zinc/89/80/03/1025898003.db2.gz DHAVIHIYFVGPRY-UHFFFAOYSA-N -1 0 321.341 -0.821 20 0 DBADRM O=C(C[C@H]1C=CCCC1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001571432808 1025990103 /nfs/dbraw/zinc/99/01/03/1025990103.db2.gz VXCDBJDGCSJOAS-WDEREUQCSA-N -1 0 309.370 -0.177 20 0 DBADRM C/C=C(\C)C(=O)NCC1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001571742240 1026170680 /nfs/dbraw/zinc/17/06/80/1026170680.db2.gz IDUVQMKBVALJAG-FPYGCLRLSA-N -1 0 323.353 -0.334 20 0 DBADRM C[C@H](CCCNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)C1CC1 ZINC001572070239 1026248692 /nfs/dbraw/zinc/24/86/92/1026248692.db2.gz UJSKWAKHGBFTSH-SECBINFHSA-N -1 0 322.365 -0.089 20 0 DBADRM CC(=O)N1CC=C(CCNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001572702394 1026462370 /nfs/dbraw/zinc/46/23/70/1026462370.db2.gz VYGIEYKCLVEDAK-UHFFFAOYSA-N -1 0 307.310 -0.419 20 0 DBADRM C=CS(=O)(=O)CCC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001573310479 1026546801 /nfs/dbraw/zinc/54/68/01/1026546801.db2.gz LMDRDLWRTMIBEI-JGVFFNPUSA-N -1 0 306.340 -0.971 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001573349364 1026554326 /nfs/dbraw/zinc/55/43/26/1026554326.db2.gz NQXZPFUNWPVIPF-CQSZACIVSA-N -1 0 321.333 -0.511 20 0 DBADRM CC(=CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])CN1CCOCC1 ZINC001573386226 1026559247 /nfs/dbraw/zinc/55/92/47/1026559247.db2.gz QKDABPNFIOFDOP-ASJRZHAZSA-N -1 0 322.365 -0.200 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001573383251 1026559451 /nfs/dbraw/zinc/55/94/51/1026559451.db2.gz LVXXMTZZJNCQMX-UHFFFAOYSA-N -1 0 309.326 -0.870 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1)n1cncn1 ZINC001573397857 1026561240 /nfs/dbraw/zinc/56/12/40/1026561240.db2.gz BPHBDJHSRJVNKA-BTKVJGODSA-N -1 0 314.367 -0.337 20 0 DBADRM CC(=O)c1sc(NC(=O)NC[C@@H](O)[C@H](C)O)nc1C(=O)[O-] ZINC001573397904 1026561642 /nfs/dbraw/zinc/56/16/42/1026561642.db2.gz SITNSLYTBUKLPX-UJURSFKZSA-N -1 0 317.323 -0.093 20 0 DBADRM CC(=O)CCCC(=O)N[C@H](C)C1CN(C(=O)CNC(=O)[O-])C1 ZINC001573400041 1026563179 /nfs/dbraw/zinc/56/31/79/1026563179.db2.gz QBPWFJGDKXFOLL-SNVBAGLBSA-N -1 0 313.354 -0.024 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@@H]1c1n[nH]nc1C(=O)[O-])S(C)(=O)=O ZINC001573400256 1026563295 /nfs/dbraw/zinc/56/32/95/1026563295.db2.gz VOPKAUIZFHGQDQ-NKWVEPMBSA-N -1 0 316.339 -0.401 20 0 DBADRM CC(=O)CCCC(=O)NC[C@@H](C)N(C)C(=O)CNC(=O)[O-] ZINC001573399797 1026563600 /nfs/dbraw/zinc/56/36/00/1026563600.db2.gz NCHPLMUBYFIUEP-SECBINFHSA-N -1 0 301.343 -0.024 20 0 DBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccnc1)n1cncn1 ZINC001573400205 1026563665 /nfs/dbraw/zinc/56/36/65/1026563665.db2.gz VHKAVIPIDDXFFE-DVVUODLYSA-N -1 0 305.294 -0.463 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)C[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001573401477 1026564242 /nfs/dbraw/zinc/56/42/42/1026564242.db2.gz DFCKENUEVIFVQC-VIFPVBQESA-N -1 0 323.353 -0.666 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001573402654 1026564878 /nfs/dbraw/zinc/56/48/78/1026564878.db2.gz KYQIYWMPWCENRW-GHMZBOCLSA-N -1 0 313.354 -0.898 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N[C@@H](CO)CC(=O)[O-])C1 ZINC001573407910 1026564913 /nfs/dbraw/zinc/56/49/13/1026564913.db2.gz RTLZBYRJGDLVIU-NXEZZACHSA-N -1 0 316.354 -0.788 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1ncc(C(=O)[O-])cn1 ZINC001573404136 1026565243 /nfs/dbraw/zinc/56/52/43/1026565243.db2.gz ZGXBUADYRCYKCC-SECBINFHSA-N -1 0 323.353 -0.406 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573404028 1026565387 /nfs/dbraw/zinc/56/53/87/1026565387.db2.gz YEMQLYNLFUZNAR-VIFPVBQESA-N -1 0 323.353 -0.088 20 0 DBADRM CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)c1ncc(C(=O)[O-])cn1 ZINC001573403246 1026565453 /nfs/dbraw/zinc/56/54/53/1026565453.db2.gz PUNAOWNZPHBICI-SECBINFHSA-N -1 0 323.353 -0.406 20 0 DBADRM CC(C)(C)C(=O)N1CCO[C@H](C(=O)N[C@@H](CO)CC(=O)[O-])C1 ZINC001573407913 1026565470 /nfs/dbraw/zinc/56/54/70/1026565470.db2.gz RTLZBYRJGDLVIU-ZJUUUORDSA-N -1 0 316.354 -0.788 20 0 DBADRM C[C@@H](C(=O)[O-])N(C1CC1)S(=O)(=O)CCN1CCOC1=O ZINC001573407918 1026566106 /nfs/dbraw/zinc/56/61/06/1026566106.db2.gz RYDJGVCWJBFHPM-QMMMGPOBSA-N -1 0 306.340 -0.294 20 0 DBADRM C[C@@H](C(=O)[O-])C1CN(C(=O)c2nc3ncc(CCO)cn3n2)C1 ZINC001573407827 1026566166 /nfs/dbraw/zinc/56/61/66/1026566166.db2.gz OUUZAOVXZPKKMP-MRVPVSSYSA-N -1 0 319.321 -0.548 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573413097 1026566727 /nfs/dbraw/zinc/56/67/27/1026566727.db2.gz AMZPKMBLOCWRSC-ATZCPNFKSA-N -1 0 313.354 -0.519 20 0 DBADRM CC(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001573413190 1026566673 /nfs/dbraw/zinc/56/66/73/1026566673.db2.gz DCZKISTUDQWTOM-QWRGUYRKSA-N -1 0 314.338 -0.280 20 0 DBADRM CC(=O)N1CCC2(CC1)CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])CCO2 ZINC001573411122 1026567082 /nfs/dbraw/zinc/56/70/82/1026567082.db2.gz JMORJDSXHUZUOU-RYUDHWBXSA-N -1 0 310.350 -0.053 20 0 DBADRM CC(=O)N1CCCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1 ZINC001573414114 1026567118 /nfs/dbraw/zinc/56/71/18/1026567118.db2.gz OWJDCEMYTYHLHS-UHFFFAOYSA-N -1 0 316.339 -0.649 20 0 DBADRM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001573413199 1026567239 /nfs/dbraw/zinc/56/72/39/1026567239.db2.gz DMBSNQHGCRSURZ-SSDOTTSWSA-N -1 0 302.312 -0.993 20 0 DBADRM CC(=O)N[C@](C)(C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])C(C)C ZINC001573417128 1026567466 /nfs/dbraw/zinc/56/74/66/1026567466.db2.gz FBPOMXVXOBEVPV-GWCFXTLKSA-N -1 0 311.342 -0.602 20 0 DBADRM CC(=O)N1CCC(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])CC1 ZINC001573410673 1026568035 /nfs/dbraw/zinc/56/80/35/1026568035.db2.gz UYAPSRXMHNUJKG-LBPRGKRZSA-N -1 0 308.338 -0.289 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H](C)C1 ZINC001573414632 1026568112 /nfs/dbraw/zinc/56/81/12/1026568112.db2.gz VTBDRRBIEWAHRW-SSDOTTSWSA-N -1 0 316.339 -0.651 20 0 DBADRM CC(=O)N1CCCC[C@@H]1C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001573413188 1026568124 /nfs/dbraw/zinc/56/81/24/1026568124.db2.gz DCZKISTUDQWTOM-GHMZBOCLSA-N -1 0 314.338 -0.280 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)c1ccnc(C(=O)[O-])n1 ZINC001573420553 1026568815 /nfs/dbraw/zinc/56/88/15/1026568815.db2.gz CRYXJJHARLPMLT-DTWKUNHWSA-N -1 0 323.353 -0.360 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNC(=O)CNC(=O)[O-])C(C)C ZINC001573422459 1026568919 /nfs/dbraw/zinc/56/89/19/1026568919.db2.gz PZPVMEMUPOTKIC-WPRPVWTQSA-N -1 0 316.358 -0.964 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CC1 ZINC001573421284 1026569106 /nfs/dbraw/zinc/56/91/06/1026569106.db2.gz ISLKSLUABDESEQ-MRVPVSSYSA-N -1 0 321.337 -0.240 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001573421352 1026569249 /nfs/dbraw/zinc/56/92/49/1026569249.db2.gz KDRXNAYCABOYHD-PSASIEDQSA-N -1 0 321.337 -0.606 20 0 DBADRM CC(=O)N[C@](C)(C(=O)N[C@H](CC1OCCO1)C(=O)[O-])C(C)C ZINC001573418452 1026569725 /nfs/dbraw/zinc/56/97/25/1026569725.db2.gz QYQOEFDDAGJIRV-YGRLFVJLSA-N -1 0 316.354 -0.130 20 0 DBADRM CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[C@@H](C)[C@H](C(=O)[O-])O3)C[C@@H]2C1 ZINC001573419205 1026569964 /nfs/dbraw/zinc/56/99/64/1026569964.db2.gz ZSVDODACMSYUQQ-KABOQKQYSA-N -1 0 310.350 -0.199 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1(C(=O)[O-])CC1 ZINC001573422460 1026570027 /nfs/dbraw/zinc/57/00/27/1026570027.db2.gz QAIDAHXMVNYOEO-UHFFFAOYSA-N -1 0 313.354 -0.471 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001573419196 1026570283 /nfs/dbraw/zinc/57/02/83/1026570283.db2.gz ZFKVVWCCUNXXBN-STQMWFEESA-N -1 0 306.318 -0.479 20 0 DBADRM CC(=O)N[C@H]1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC001573427868 1026571091 /nfs/dbraw/zinc/57/10/91/1026571091.db2.gz LFOSCTKPIZJQKK-JTQLQIEISA-N -1 0 304.368 -0.219 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1CNc1ccnc(C(=O)[O-])n1 ZINC001573427816 1026571467 /nfs/dbraw/zinc/57/14/67/1026571467.db2.gz JSCZUFSTZCFMFB-SNVBAGLBSA-N -1 0 321.337 -0.864 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001573423577 1026571525 /nfs/dbraw/zinc/57/15/25/1026571525.db2.gz ZDLGGYPWCIMVSU-GZMMTYOYSA-N -1 0 321.337 -0.606 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)[C@@H]1C ZINC001573427977 1026571741 /nfs/dbraw/zinc/57/17/41/1026571741.db2.gz NRUCJPZCJNMOAT-KWQFWETISA-N -1 0 321.337 -0.288 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001573423578 1026571954 /nfs/dbraw/zinc/57/19/54/1026571954.db2.gz ZDLGGYPWCIMVSU-KCJUWKMLSA-N -1 0 321.337 -0.606 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001573426496 1026572192 /nfs/dbraw/zinc/57/21/92/1026572192.db2.gz FCULXIIAOAVEIR-SWPVVBRQSA-N -1 0 321.337 -0.242 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001573429096 1026572631 /nfs/dbraw/zinc/57/26/31/1026572631.db2.gz BYCPBGGJTPAZJO-JTQLQIEISA-N -1 0 307.310 -0.994 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)NCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001573429220 1026572671 /nfs/dbraw/zinc/57/26/71/1026572671.db2.gz FKCDZFAPQYDSGL-VHSXEESVSA-N -1 0 313.354 -0.898 20 0 DBADRM CC(=O)NCC(=O)NCC1(Nc2ccnc(C(=O)[O-])n2)CCC1 ZINC001573430495 1026572762 /nfs/dbraw/zinc/57/27/62/1026572762.db2.gz QZOPQCFMASQJHO-UHFFFAOYSA-N -1 0 321.337 -0.816 20 0 DBADRM CC(=O)NCC(=O)NC[C@H](Nc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001573429312 1026572986 /nfs/dbraw/zinc/57/29/86/1026572986.db2.gz HBYSMZNAJOMNAU-JTQLQIEISA-N -1 0 321.337 -0.961 20 0 DBADRM CC(=O)NCC(=O)NC[C@@H](Nc1ncc(C(=O)[O-])cn1)C(C)C ZINC001573429159 1026573017 /nfs/dbraw/zinc/57/30/17/1026573017.db2.gz DYXNUXVTEPWDKX-LLVKDONJSA-N -1 0 323.353 -0.136 20 0 DBADRM CC(=O)NCC(=O)N[C@H](C)CN(C)c1ccnc(C(=O)[O-])n1 ZINC001573429862 1026573082 /nfs/dbraw/zinc/57/30/82/1026573082.db2.gz MNXUHHSJSNWYAG-MRVPVSSYSA-N -1 0 309.326 -0.748 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001573429055 1026573540 /nfs/dbraw/zinc/57/35/40/1026573540.db2.gz BCWLTFMIXLLLSX-UHFFFAOYSA-N -1 0 322.321 -0.413 20 0 DBADRM CC(=O)NCC(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001573429017 1026573593 /nfs/dbraw/zinc/57/35/93/1026573593.db2.gz AMNKZZYNKBBFEX-SECBINFHSA-N -1 0 307.310 -0.994 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NCCc1ccccc1C(=O)[O-] ZINC001573429825 1026573846 /nfs/dbraw/zinc/57/38/46/1026573846.db2.gz MMLKJUOYUBMJMY-UHFFFAOYSA-N -1 0 321.333 -0.704 20 0 DBADRM CC(=O)NCC(=O)NC[C@H]1CCCN1c1ncc(C(=O)[O-])cn1 ZINC001573429472 1026574053 /nfs/dbraw/zinc/57/40/53/1026574053.db2.gz JJNMNDBVIYBCNV-LLVKDONJSA-N -1 0 321.337 -0.604 20 0 DBADRM CC(=O)Nc1ccc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])nc1 ZINC001573443434 1026574930 /nfs/dbraw/zinc/57/49/30/1026574930.db2.gz GUCNXISXXWUPBQ-NSHDSACASA-N -1 0 320.305 -0.593 20 0 DBADRM CC(=O)NCC(=O)NC[C@H]1CCCN1c1ccnc(C(=O)[O-])n1 ZINC001573431152 1026575220 /nfs/dbraw/zinc/57/52/20/1026575220.db2.gz ZIQCQGKSHHLNMO-SNVBAGLBSA-N -1 0 321.337 -0.604 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])C(N)=O ZINC001573435859 1026576056 /nfs/dbraw/zinc/57/60/56/1026576056.db2.gz BEFXWZVUVQBORG-BFVZDQMLSA-N -1 0 313.354 -0.484 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)c2cc(C(=O)[O-])ccn2)CCO1 ZINC001573433182 1026576191 /nfs/dbraw/zinc/57/61/91/1026576191.db2.gz BMFSUQQOBXJXHM-NSHDSACASA-N -1 0 307.306 -0.243 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)[C@@H](O)CC(=O)[O-] ZINC001573464410 1026577608 /nfs/dbraw/zinc/57/76/08/1026577608.db2.gz FFNVWXNDRRBZMR-BDAKNGLRSA-N -1 0 302.327 -0.052 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)[C@@H](O)CC(=O)[O-])CCO1 ZINC001573460706 1026578079 /nfs/dbraw/zinc/57/80/79/1026578079.db2.gz OVJPRHOPBUMXEC-IUCAKERBSA-N -1 0 303.311 -0.609 20 0 DBADRM CC(C)(C)OC(=O)N1CC2CC1(C(=O)N[C@H](CO)C(=O)[O-])C2 ZINC001573465475 1026578229 /nfs/dbraw/zinc/57/82/29/1026578229.db2.gz SFDHWZFQRBCUSB-ZYTOWTHASA-N -1 0 314.338 -0.052 20 0 DBADRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(S(N)(=O)=O)nc1 ZINC001573467742 1026578944 /nfs/dbraw/zinc/57/89/44/1026578944.db2.gz SSVNCCSLPNDMHF-UHFFFAOYSA-N -1 0 301.324 -0.288 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCN(C(=O)[O-])CC1 ZINC001573469210 1026578990 /nfs/dbraw/zinc/57/89/90/1026578990.db2.gz ZZJBGIYCYLQXRI-VIFPVBQESA-N -1 0 317.342 -0.306 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001573469036 1026579409 /nfs/dbraw/zinc/57/94/09/1026579409.db2.gz WSSRVAMQTNJRLG-VGMNWLOBSA-N -1 0 318.326 -0.770 20 0 DBADRM CC(C)(CNS(N)(=O)=O)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001573482186 1026579496 /nfs/dbraw/zinc/57/94/96/1026579496.db2.gz QONDSHRYIGEKGE-UHFFFAOYSA-N -1 0 315.351 -0.314 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H](O)CC(=O)[O-])C1 ZINC001573468661 1026579681 /nfs/dbraw/zinc/57/96/81/1026579681.db2.gz PCPOACXZJUMOJO-RKDXNWHRSA-N -1 0 302.327 -0.052 20 0 DBADRM CC(C)(C)n1cc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)nn1 ZINC001573475465 1026579880 /nfs/dbraw/zinc/57/98/80/1026579880.db2.gz OWZFNHLSYHHZFU-RKDXNWHRSA-N -1 0 311.342 -0.266 20 0 DBADRM CC(C)(CCNC(=O)N1CC[C@@H](CS(N)(=O)=O)C1)C(=O)[O-] ZINC001573474364 1026579996 /nfs/dbraw/zinc/57/99/96/1026579996.db2.gz RVAUFZMVEWXGSY-SECBINFHSA-N -1 0 321.399 -0.193 20 0 DBADRM CC(C)C[C@H](CNC(=O)C1CN(S(C)(=O)=O)C1)NC(=O)[O-] ZINC001573503200 1026583670 /nfs/dbraw/zinc/58/36/70/1026583670.db2.gz WJCQAJZYORCABD-SNVBAGLBSA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)(NS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ncon1 ZINC001573483867 1026581848 /nfs/dbraw/zinc/58/18/48/1026581848.db2.gz FXDILIFNQCYDRN-MRVPVSSYSA-N -1 0 318.355 -0.064 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001573494896 1026582489 /nfs/dbraw/zinc/58/24/89/1026582489.db2.gz QYMKPHJAYDAXBD-RNCFNFMXSA-N -1 0 315.326 -0.384 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCc1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001573491442 1026582499 /nfs/dbraw/zinc/58/24/99/1026582499.db2.gz IRMRTVHJBJWNDQ-SECBINFHSA-N -1 0 312.326 -0.358 20 0 DBADRM CC(C)COC(=O)N1CCN(C(=O)[C@H](O)CC(=O)[O-])CC1 ZINC001573515886 1026584538 /nfs/dbraw/zinc/58/45/38/1026584538.db2.gz FAAUBKIYVDIFJK-SNVBAGLBSA-N -1 0 302.327 -0.241 20 0 DBADRM CC(C)N(C[C@H](O)CO)C(=O)NCc1cc(C(=O)[O-])no1 ZINC001573519788 1026584730 /nfs/dbraw/zinc/58/47/30/1026584730.db2.gz YJKHFWVAEMQHPI-QMMMGPOBSA-N -1 0 301.299 -0.354 20 0 DBADRM CC(C)S(=O)(=O)CCNC(=O)N1CC([C@@H](F)C(=O)[O-])C1 ZINC001573526393 1026585264 /nfs/dbraw/zinc/58/52/64/1026585264.db2.gz NZCZHRCRSUJKIW-SECBINFHSA-N -1 0 310.347 -0.126 20 0 DBADRM CC(C)n1nnc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001573535129 1026587281 /nfs/dbraw/zinc/58/72/81/1026587281.db2.gz HYPHHZAZBRFCMD-YUMQZZPRSA-N -1 0 313.318 -0.654 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC001573541108 1026587558 /nfs/dbraw/zinc/58/75/58/1026587558.db2.gz QSVUOWODMPCJJD-QMMMGPOBSA-N -1 0 317.342 -0.393 20 0 DBADRM C[C@@H](CCC(=O)[O-])NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001573543689 1026587887 /nfs/dbraw/zinc/58/78/87/1026587887.db2.gz UMGNBCPYCYHBTJ-YUMQZZPRSA-N -1 0 311.298 -0.630 20 0 DBADRM C[C@@H](NC(=O)C1=C[S@@](=O)CCC1)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573552387 1026589069 /nfs/dbraw/zinc/58/90/69/1026589069.db2.gz GOYMDRZOWQWXLH-RDLWGGRYSA-N -1 0 302.352 -0.493 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](NC(N)=O)C(C)(C)C)C(=O)[O-] ZINC001573553046 1026589170 /nfs/dbraw/zinc/58/91/70/1026589170.db2.gz JRCDBMFHIAGQPB-FXQIFTODSA-N -1 0 316.358 -0.837 20 0 DBADRM C[C@](CO)(Cn1cnc2ccccc21)NC(=O)[C@@H](O)CC(=O)[O-] ZINC001573551759 1026589251 /nfs/dbraw/zinc/58/92/51/1026589251.db2.gz OTYFFJYFXUCFPI-SWLSCSKDSA-N -1 0 321.333 -0.261 20 0 DBADRM C[C@H](CNC(=O)c1c2c(nn1C)CCS(=O)(=O)C2)C(=O)[O-] ZINC001573550417 1026589519 /nfs/dbraw/zinc/58/95/19/1026589519.db2.gz GOGDDJZXPVSABC-SSDOTTSWSA-N -1 0 315.351 -0.659 20 0 DBADRM C[C@@H](CNC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)CC(=O)[O-] ZINC001573551694 1026589682 /nfs/dbraw/zinc/58/96/82/1026589682.db2.gz OHMMERPOZZISAT-SFYZADRCSA-N -1 0 311.298 -0.773 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001573546824 1026589805 /nfs/dbraw/zinc/58/98/05/1026589805.db2.gz CWFLFOLWHKVJNZ-VXGBXAGGSA-N -1 0 311.382 -0.234 20 0 DBADRM C[C@H](CNS(=O)(=O)N=[S@@](C)(=O)N(C)C)CC(=O)[O-] ZINC001573551816 1026589823 /nfs/dbraw/zinc/58/98/23/1026589823.db2.gz PKAGRTWMXYJFGM-BWKAKNAASA-N -1 0 301.390 -0.494 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1ncccc1N(C)C)C(=O)[O-] ZINC001573559791 1026591006 /nfs/dbraw/zinc/59/10/06/1026591006.db2.gz JKWCIKNXUJCKJI-IUCAKERBSA-N -1 0 308.338 -0.145 20 0 DBADRM C[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1nc(C(=O)[O-])n[nH]1 ZINC001573559434 1026591353 /nfs/dbraw/zinc/59/13/53/1026591353.db2.gz CRIYOFNGBDQYQK-BQBZGAKWSA-N -1 0 316.339 -0.495 20 0 DBADRM CC(C)OCc1nc([C@H](C)NCC(=O)NCC(=O)[O-])no1 ZINC001573554897 1026591639 /nfs/dbraw/zinc/59/16/39/1026591639.db2.gz LBOPZZNJQMDPIP-QMMMGPOBSA-N -1 0 300.315 -0.154 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CSCN1C(=O)[O-])C1N=NC(=O)N1C ZINC001573560573 1026591665 /nfs/dbraw/zinc/59/16/65/1026591665.db2.gz VNVUNLUFTNGYJN-WDSKDSINSA-N -1 0 301.328 -0.249 20 0 DBADRM C[C@@H](NC(=O)C1CCS(=O)(=O)CC1)c1nc(C(=O)[O-])n[nH]1 ZINC001573560536 1026591758 /nfs/dbraw/zinc/59/17/58/1026591758.db2.gz VFRJIYROJJDLOX-ZCFIWIBFSA-N -1 0 316.339 -0.495 20 0 DBADRM C[C@@H](NC(=O)N[C@H](C)c1ccnn1C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573554427 1026591986 /nfs/dbraw/zinc/59/19/86/1026591986.db2.gz UGBATQFSRBSKER-HLTSFMKQSA-N -1 0 311.342 -0.242 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCCc2nn[nH]c21)c1nc(C(=O)[O-])n[nH]1 ZINC001573560599 1026592449 /nfs/dbraw/zinc/59/24/49/1026592449.db2.gz VXAXYAADJDZQNL-WDSKDSINSA-N -1 0 305.298 -0.082 20 0 DBADRM C[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1nc(C(=O)[O-])n[nH]1 ZINC001573561091 1026592826 /nfs/dbraw/zinc/59/28/26/1026592826.db2.gz BZBUQZCWRPSTDU-ZCFIWIBFSA-N -1 0 317.327 -0.996 20 0 DBADRM C[C@H](NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO)c1ccn(C)n1 ZINC001573563120 1026593263 /nfs/dbraw/zinc/59/32/63/1026593263.db2.gz RZBTZCOBKAZLGA-ATZCPNFKSA-N -1 0 311.342 -0.249 20 0 DBADRM C[C@H](NC(=O)N1C[C@@H](C(=O)[O-])C2(COC2)C1)c1nnnn1C ZINC001573563616 1026594048 /nfs/dbraw/zinc/59/40/48/1026594048.db2.gz WKJQWRMOIUPPNL-YUMQZZPRSA-N -1 0 310.314 -0.986 20 0 DBADRM C[C@H](NC(=O)N1C[C@H](C(=O)[O-])C2(COC2)C1)c1nnnn1C ZINC001573563612 1026594120 /nfs/dbraw/zinc/59/41/20/1026594120.db2.gz WKJQWRMOIUPPNL-JGVFFNPUSA-N -1 0 310.314 -0.986 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCCc2nn[nH]c21)c1nc(C(=O)[O-])n[nH]1 ZINC001573560596 1026594128 /nfs/dbraw/zinc/59/41/28/1026594128.db2.gz VXAXYAADJDZQNL-NTSWFWBYSA-N -1 0 305.298 -0.082 20 0 DBADRM C[C@H](NC(=O)NCc1cc(C(=O)[O-])no1)[C@@H]1CN(C)CCO1 ZINC001573561547 1026594256 /nfs/dbraw/zinc/59/42/56/1026594256.db2.gz HQOKUYPZTOYSAD-KWQFWETISA-N -1 0 312.326 -0.109 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](CC(=O)[O-])c1ccncc1 ZINC001573578528 1026595493 /nfs/dbraw/zinc/59/54/93/1026595493.db2.gz GWUZPIXMUAJOSI-WPRPVWTQSA-N -1 0 315.351 -0.349 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)C[C@H]1CCC2(CCC2)O1)C(=O)[O-] ZINC001573580666 1026595932 /nfs/dbraw/zinc/59/59/32/1026595932.db2.gz DFNRRXVLVOXSHW-MWLCHTKSSA-N -1 0 307.368 -0.157 20 0 DBADRM C[C@H](NS(=O)(=O)[C@H]1CCO[C@@H]1C)c1nc(C(=O)[O-])n[nH]1 ZINC001573580361 1026595999 /nfs/dbraw/zinc/59/59/99/1026595999.db2.gz ZNINISUZYURPGB-XVMARJQXSA-N -1 0 304.328 -0.339 20 0 DBADRM C[C@@H](NS(=O)(=O)C1(CC(=O)[O-])CC1)C1N=NC(=O)N1C ZINC001573578267 1026596007 /nfs/dbraw/zinc/59/60/07/1026596007.db2.gz BKSHQEXQCUKDSZ-ZCFIWIBFSA-N -1 0 304.328 -0.492 20 0 DBADRM C[C@H](NC(=O)c1nc2ncc(CCO)cn2n1)[C@H](C)C(=O)[O-] ZINC001573573812 1026596103 /nfs/dbraw/zinc/59/61/03/1026596103.db2.gz XDNQREBZWWASJK-YUMQZZPRSA-N -1 0 307.310 -0.502 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc(C(=O)[O-])n[nH]1 ZINC001573578294 1026596381 /nfs/dbraw/zinc/59/63/81/1026596381.db2.gz CAYLPRCAQUXKJI-RXMQYKEDSA-N -1 0 300.300 -0.724 20 0 DBADRM C[C@@H](O)[C@@H](O)CNC(=O)Nc1c(C(=O)[O-])nc2ccccn21 ZINC001573582975 1026597167 /nfs/dbraw/zinc/59/71/67/1026597167.db2.gz QEFGEYLQMRZABR-SFYZADRCSA-N -1 0 308.294 -0.104 20 0 DBADRM C[C@@H](O)CN(C(=O)NCc1cc(C(=O)[O-])no1)[C@@H](C)CO ZINC001573581834 1026598010 /nfs/dbraw/zinc/59/80/10/1026598010.db2.gz KXIJPMVKJHZCAW-JGVFFNPUSA-N -1 0 301.299 -0.354 20 0 DBADRM C[C@H](O)c1cn(CC(=O)NC[C@@]2(C(=O)[O-])CCCOC2)nn1 ZINC001573582283 1026598107 /nfs/dbraw/zinc/59/81/07/1026598107.db2.gz LYQOINULLIOLAY-ZANVPECISA-N -1 0 312.326 -0.671 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)c2ccnc3c(C(=O)[O-])cnn32)CCO1 ZINC001573582307 1026598552 /nfs/dbraw/zinc/59/85/52/1026598552.db2.gz MFMSRXQGLQCFBU-KCJUWKMLSA-N -1 0 320.305 -0.351 20 0 DBADRM C[C@@](CO)(NC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1ccc(O)cc1 ZINC001573601563 1026600099 /nfs/dbraw/zinc/60/00/99/1026600099.db2.gz OVHUUUUOOQKKCX-RISCZKNCSA-N -1 0 308.290 -0.055 20 0 DBADRM C[C@]1(C(=O)[O-])CN(C(=O)c2cccn3c(=O)[nH]nc23)CCO1 ZINC001573605626 1026601968 /nfs/dbraw/zinc/60/19/68/1026601968.db2.gz BMXKJHSXYWNMRS-CYBMUJFWSA-N -1 0 306.278 -0.249 20 0 DBADRM C[C@H]1C(=O)Nc2cc(C(=O)[O-])ccc2N1C(=O)c1nnn(C)n1 ZINC001573627202 1026603723 /nfs/dbraw/zinc/60/37/23/1026603723.db2.gz WKOQOCCSNYWRMN-LURJTMIESA-N -1 0 316.277 -0.104 20 0 DBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC001573626531 1026603993 /nfs/dbraw/zinc/60/39/93/1026603993.db2.gz PRNZDGSFCBOIEN-SFYZADRCSA-N -1 0 300.340 -0.333 20 0 DBADRM CC1=C(C(=O)N(CCC(=O)[O-])C2CC2)Cn2nnnc2N1C ZINC001573625963 1026604275 /nfs/dbraw/zinc/60/42/75/1026604275.db2.gz MNQFOKSYGYLGTI-UHFFFAOYSA-N -1 0 306.326 -0.137 20 0 DBADRM C[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)C(=O)N1CCCC[C@H]1C ZINC001573626207 1026604369 /nfs/dbraw/zinc/60/43/69/1026604369.db2.gz ZCZNAUSNTDLKTE-NXEZZACHSA-N -1 0 323.353 -0.118 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001573627283 1026604429 /nfs/dbraw/zinc/60/44/29/1026604429.db2.gz YMMCAGLLUQUKMB-VIFPVBQESA-N -1 0 315.351 -0.013 20 0 DBADRM C[C@@H]1C(=O)Nc2cc(C(=O)[O-])ccc2N1C(=O)c1nnn(C)n1 ZINC001573627203 1026604543 /nfs/dbraw/zinc/60/45/43/1026604543.db2.gz WKOQOCCSNYWRMN-ZCFIWIBFSA-N -1 0 316.277 -0.104 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CCN(c2nc(N)nc(C(=O)[O-])n2)CC1 ZINC001573636934 1026605640 /nfs/dbraw/zinc/60/56/40/1026605640.db2.gz VEKWLLFRDIVQFY-JGVFFNPUSA-N -1 0 306.326 -0.543 20 0 DBADRM C[C@H](O)c1cn(C2CN(C(=O)c3cc(C(=O)[O-])n[nH]3)C2)nn1 ZINC001573633968 1026606249 /nfs/dbraw/zinc/60/62/49/1026606249.db2.gz FQUCPPWOBDSCNG-LURJTMIESA-N -1 0 306.282 -0.550 20 0 DBADRM CC[C@@H](C(=O)N1CCC(C(=O)NCC(=O)[O-])CC1)[C@H](C)O ZINC001573660175 1026608120 /nfs/dbraw/zinc/60/81/20/1026608120.db2.gz HUDDMFYHWSTPFE-GXSJLCMTSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)N1CCC[C@H]1c1n[nH]nc1C(=O)[O-] ZINC001573660257 1026608133 /nfs/dbraw/zinc/60/81/33/1026608133.db2.gz IPGGFTFOANLWPO-LYFYHCNISA-N -1 0 309.282 -0.337 20 0 DBADRM C[C@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)NCc1cn(C)nn1 ZINC001573655059 1026609097 /nfs/dbraw/zinc/60/90/97/1026609097.db2.gz QZZUPHIFLDLSSS-QMMMGPOBSA-N -1 0 319.325 -0.176 20 0 DBADRM CC[C@H](C(=O)N1CCC(C(=O)NCC(=O)[O-])CC1)[C@H](C)O ZINC001573660194 1026609285 /nfs/dbraw/zinc/60/92/85/1026609285.db2.gz HUDDMFYHWSTPFE-ONGXEEELSA-N -1 0 300.355 -0.167 20 0 DBADRM CC1(C)OC[C@H](/C=C/C(=O)N2CCN(C(=O)C(=O)[O-])CC2)O1 ZINC001573677754 1026616590 /nfs/dbraw/zinc/61/65/90/1026616590.db2.gz CSELFZHCCJXRLG-FSIBCCDJSA-N -1 0 312.322 -0.551 20 0 DBADRM CC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573680071 1026619392 /nfs/dbraw/zinc/61/93/92/1026619392.db2.gz ZJPWVKUTLVWFRU-RQJHMYQMSA-N -1 0 318.355 -0.311 20 0 DBADRM C[C@]1(CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCS(=O)(=O)N1 ZINC001573683106 1026619441 /nfs/dbraw/zinc/61/94/41/1026619441.db2.gz ATBZFFXCGKASFI-VDDIYKPWSA-N -1 0 304.368 -0.172 20 0 DBADRM C[C@]12CN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C[C@@]1(C)C(=O)NC2=O ZINC001573690026 1026620927 /nfs/dbraw/zinc/62/09/27/1026620927.db2.gz WCXVLZXOFRCGJX-XNYCMSQESA-N -1 0 308.334 -0.002 20 0 DBADRM CCC[C@H](C(=O)N1CC[C@H]([C@H](F)C(=O)[O-])C1)S(N)(=O)=O ZINC001573723381 1026623391 /nfs/dbraw/zinc/62/33/91/1026623391.db2.gz WWPKWFDJQFJNHV-YIZRAAEISA-N -1 0 310.347 -0.285 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@H](CO)[C@@H]1CCCOC1 ZINC001573724642 1026625346 /nfs/dbraw/zinc/62/53/46/1026625346.db2.gz OIEUPFMMOIJFGD-GMTAPVOTSA-N -1 0 309.384 -0.053 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cn1ncn2nccc2c1=O ZINC001573713013 1026623271 /nfs/dbraw/zinc/62/32/71/1026623271.db2.gz XPTWVLFXJKSEGL-VHSXEESVSA-N -1 0 319.321 -0.397 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@@H](C)CCS(C)(=O)=O ZINC001573723949 1026623426 /nfs/dbraw/zinc/62/34/26/1026623426.db2.gz AOSSAKBTTVRUJF-DTWKUNHWSA-N -1 0 315.413 -0.018 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)C1CCN(C(=O)[O-])CC1 ZINC001573700685 1026623496 /nfs/dbraw/zinc/62/34/96/1026623496.db2.gz WFISQLRYKUUGCF-JTQLQIEISA-N -1 0 321.399 -0.180 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N[C@@H](C)CCS(C)(=O)=O ZINC001573723950 1026623508 /nfs/dbraw/zinc/62/35/08/1026623508.db2.gz AOSSAKBTTVRUJF-IUCAKERBSA-N -1 0 315.413 -0.018 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001573701591 1026623652 /nfs/dbraw/zinc/62/36/52/1026623652.db2.gz ZFJUTTKOZPEGNV-QJPTWQEYSA-N -1 0 309.322 -0.401 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NCCS(=O)(=O)C(C)C ZINC001573723947 1026623930 /nfs/dbraw/zinc/62/39/30/1026623930.db2.gz ALKRHVCTJPLELO-VIFPVBQESA-N -1 0 315.413 -0.018 20 0 DBADRM CCC[C@@H](C(=O)Nc1nn(C)cc1C(=O)[O-])S(N)(=O)=O ZINC001573721780 1026623970 /nfs/dbraw/zinc/62/39/70/1026623970.db2.gz JDVKONUHUZPIAY-ZETCQYMHSA-N -1 0 304.328 -0.486 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N[C@H](CO)Cc1cnn(C)c1 ZINC001573724789 1026625096 /nfs/dbraw/zinc/62/50/96/1026625096.db2.gz RRFFYUXTRFRWBB-QWRGUYRKSA-N -1 0 319.383 -0.504 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)NC1(C(N)=O)CCOCC1 ZINC001573724350 1026624776 /nfs/dbraw/zinc/62/47/76/1026624776.db2.gz JBIHCCNWBHYTLD-MRVPVSSYSA-N -1 0 308.356 -0.806 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@@H](CO)c1cnn(C)c1 ZINC001573725361 1026625327 /nfs/dbraw/zinc/62/53/27/1026625327.db2.gz YUIQIFQWHAOZIO-VHSXEESVSA-N -1 0 305.356 -0.374 20 0 DBADRM CC1CCN(C(=O)C(=O)NCCOCCOCC(=O)[O-])CC1 ZINC001573727629 1026625494 /nfs/dbraw/zinc/62/54/94/1026625494.db2.gz XNGWUKNKTKEFJE-UHFFFAOYSA-N -1 0 316.354 -0.521 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N1CCC(=O)NCC12COC2 ZINC001573725348 1026625560 /nfs/dbraw/zinc/62/55/60/1026625560.db2.gz YQOSXRGOFAWUHF-SECBINFHSA-N -1 0 320.367 -0.840 20 0 DBADRM C[C@@H]1CCN(C(=O)NCC(=O)N=S(C)(C)=O)C[C@H]1C(=O)[O-] ZINC001573727031 1026625578 /nfs/dbraw/zinc/62/55/78/1026625578.db2.gz RUCHSARXKVHEHA-RKDXNWHRSA-N -1 0 319.383 -0.007 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001573724297 1026625704 /nfs/dbraw/zinc/62/57/04/1026625704.db2.gz IFVBOQVDQFARDK-QMMMGPOBSA-N -1 0 319.339 -0.841 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C ZINC001573757522 1026628193 /nfs/dbraw/zinc/62/81/93/1026628193.db2.gz DMGDMZHXXQZRMG-UWVGGRQHSA-N -1 0 315.370 -0.286 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)NCc1[nH]cnc1C(=O)[O-] ZINC001573735396 1026628308 /nfs/dbraw/zinc/62/83/08/1026628308.db2.gz LADAZOKSNIRCCY-UHFFFAOYSA-N -1 0 318.355 -0.556 20 0 DBADRM CCCN(C(=O)Cn1cc(C(C)=O)nn1)[C@@H](COC)C(=O)[O-] ZINC001573744409 1026628609 /nfs/dbraw/zinc/62/86/09/1026628609.db2.gz RUXFUWPCEXXQHW-NSHDSACASA-N -1 0 312.326 -0.181 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NCc1[nH]cnc1C(=O)[O-] ZINC001573771171 1026630865 /nfs/dbraw/zinc/63/08/65/1026630865.db2.gz RIXQQYXGGQGWBN-UHFFFAOYSA-N -1 0 318.355 -0.604 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001573783392 1026631535 /nfs/dbraw/zinc/63/15/35/1026631535.db2.gz ZYIRDHCJJHZMNL-KXUCPTDWSA-N -1 0 319.383 -0.712 20 0 DBADRM CCN1CC[C@@H](NS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1=O ZINC001573778256 1026631604 /nfs/dbraw/zinc/63/16/04/1026631604.db2.gz RDNYPWRATLVOOI-SSDOTTSWSA-N -1 0 316.339 -0.685 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)Nc1cn(C)cc1C(=O)[O-] ZINC001573781392 1026632110 /nfs/dbraw/zinc/63/21/10/1026632110.db2.gz HIRFTRHLHADJGF-UHFFFAOYSA-N -1 0 318.355 -0.216 20 0 DBADRM CCNC(=O)NC(=O)CS[C@@H](CC(=O)[O-])C(=O)OCC ZINC001573781354 1026632469 /nfs/dbraw/zinc/63/24/69/1026632469.db2.gz GNBGCZZZACRHFF-ZETCQYMHSA-N -1 0 306.340 -0.028 20 0 DBADRM CCOC(=O)C1(CC(=O)N(CC(N)=O)CC(=O)[O-])CCC1 ZINC001573784386 1026632549 /nfs/dbraw/zinc/63/25/49/1026632549.db2.gz KHIVOQVNXDDWJV-UHFFFAOYSA-N -1 0 300.311 -0.492 20 0 DBADRM CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)[C@@H](O)CC(=O)[O-] ZINC001573785267 1026632860 /nfs/dbraw/zinc/63/28/60/1026632860.db2.gz RXTRSUOUYCZULR-ZJUUUORDSA-N -1 0 317.338 -0.171 20 0 DBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)N[C@H](CO)C(=O)[O-] ZINC001573778760 1026633201 /nfs/dbraw/zinc/63/32/01/1026633201.db2.gz QLKVQLSANAMHBR-MRVPVSSYSA-N -1 0 304.343 -0.742 20 0 DBADRM CCN1CC[C@H](NS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1=O ZINC001573778257 1026633207 /nfs/dbraw/zinc/63/32/07/1026633207.db2.gz RDNYPWRATLVOOI-ZETCQYMHSA-N -1 0 316.339 -0.685 20 0 DBADRM CC(C)(C)OC(=O)c1cnc(C(=O)NC[C@H](O)C(=O)[O-])cn1 ZINC001573778558 1026633303 /nfs/dbraw/zinc/63/33/03/1026633303.db2.gz BGCCGBVJBYJQMS-VIFPVBQESA-N -1 0 311.294 -0.393 20 0 DBADRM CCNC(=O)CCC(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccncc1 ZINC001573778409 1026633374 /nfs/dbraw/zinc/63/33/74/1026633374.db2.gz VNRMMARMODQAFZ-QWHCGFSZSA-N -1 0 309.322 -0.399 20 0 DBADRM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573781958 1026633597 /nfs/dbraw/zinc/63/35/97/1026633597.db2.gz MPAIDCWOWQUAFV-DOLQZWNJSA-N -1 0 314.338 -0.330 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N(C)[C@H](C(=O)[O-])c1cccnc1 ZINC001573786296 1026633979 /nfs/dbraw/zinc/63/39/79/1026633979.db2.gz OJUNDHRAZHAQJJ-JQWIXIFHSA-N -1 0 310.306 -0.020 20 0 DBADRM CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001573787959 1026634260 /nfs/dbraw/zinc/63/42/60/1026634260.db2.gz PWSMKQSHKQXPJQ-UKKRHICBSA-N -1 0 314.338 -0.337 20 0 DBADRM CCOC(=O)[C@]1(COC)CCCN(C(=O)[C@H](O)CC(=O)[O-])C1 ZINC001573785995 1026634374 /nfs/dbraw/zinc/63/43/74/1026634374.db2.gz ZMCXAHRWEXZBEA-QMTHXVAHSA-N -1 0 317.338 -0.360 20 0 DBADRM CCOC(=O)CC1(NS(=O)(=O)CCCC(=O)[O-])COC1 ZINC001573786250 1026634504 /nfs/dbraw/zinc/63/45/04/1026634504.db2.gz MVJWPPGQCZYAOU-UHFFFAOYSA-N -1 0 309.340 -0.507 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-] ZINC001573786609 1026634555 /nfs/dbraw/zinc/63/45/55/1026634555.db2.gz WKBQGRUTONIWNW-UWVGGRQHSA-N -1 0 317.338 -0.171 20 0 DBADRM CCOC(=O)[C@@H]1C[C@H]1CN1CCOC[C@@H]1C(=O)NCC(=O)[O-] ZINC001573791406 1026634797 /nfs/dbraw/zinc/63/47/97/1026634797.db2.gz JSNJDKOGRQCHFL-HBNTYKKESA-N -1 0 314.338 -0.913 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](COC)C(=O)[O-])C1 ZINC001573786449 1026634830 /nfs/dbraw/zinc/63/48/30/1026634830.db2.gz SGVJHWKUWZEMBG-MNOVXSKESA-N -1 0 316.354 -0.523 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1CCO[C@@](C)(C(=O)[O-])C1 ZINC001573800923 1026636616 /nfs/dbraw/zinc/63/66/16/1026636616.db2.gz BFBVCGFUXGQMOD-GIPNMCIBSA-N -1 0 302.327 -0.325 20 0 DBADRM CC[C@H](CNC(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1)C(=O)[O-] ZINC001573800642 1026636633 /nfs/dbraw/zinc/63/66/33/1026636633.db2.gz TVCZNCKUCQVDEH-OPRDCNLKSA-N -1 0 302.327 -0.337 20 0 DBADRM CC[C@@H](CNC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC001573796282 1026636840 /nfs/dbraw/zinc/63/68/40/1026636840.db2.gz URTNHOLUJNDWQE-QMMMGPOBSA-N -1 0 307.372 -0.871 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573792417 1026637102 /nfs/dbraw/zinc/63/71/02/1026637102.db2.gz WULFQBIIAMXYGB-XFWSIPNHSA-N -1 0 314.338 -0.330 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)NCc1cc(C(=O)[O-])no1 ZINC001573807456 1026638266 /nfs/dbraw/zinc/63/82/66/1026638266.db2.gz LVLTVXXZJPNKCL-ZETCQYMHSA-N -1 0 319.339 -0.005 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)Nc1ccn(C)c1C(=O)[O-] ZINC001573807358 1026638781 /nfs/dbraw/zinc/63/87/81/1026638781.db2.gz HWTCEFHMQVHHOQ-UHFFFAOYSA-N -1 0 303.340 -0.057 20 0 DBADRM CCS(=O)(=O)NCC(=O)Nc1ncc(CC(=O)[O-])s1 ZINC001573807342 1026639446 /nfs/dbraw/zinc/63/94/46/1026639446.db2.gz HOBMBQUVMUXVRH-UHFFFAOYSA-N -1 0 307.353 -0.352 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)N2C[C@H](O)C[C@]2(C)CO)n1 ZINC001573846224 1026640761 /nfs/dbraw/zinc/64/07/61/1026640761.db2.gz BHVGSXISRRVKDC-AMIZOPFISA-N -1 0 312.326 -0.049 20 0 DBADRM CCc1ncc(C(=O)[O-])c(N2CC3(C2)C[C@H](O)CNC3=O)n1 ZINC001573837062 1026641001 /nfs/dbraw/zinc/64/10/01/1026641001.db2.gz CHWUFOQXEFMAMZ-QMMMGPOBSA-N -1 0 306.322 -0.576 20 0 DBADRM CCc1ncc(C(=O)[O-])c(NC[C@H](O)CS(C)(=O)=O)n1 ZINC001573838321 1026641091 /nfs/dbraw/zinc/64/10/91/1026641091.db2.gz XOGSPBOQTGEXBG-ZETCQYMHSA-N -1 0 303.340 -0.445 20 0 DBADRM CCn1cc(CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)cn1 ZINC001573847178 1026641135 /nfs/dbraw/zinc/64/11/35/1026641135.db2.gz IPQKWAOPRPIPGQ-WDEREUQCSA-N -1 0 311.342 -0.327 20 0 DBADRM CCn1cc(CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)cn1 ZINC001573847175 1026641230 /nfs/dbraw/zinc/64/12/30/1026641230.db2.gz IPQKWAOPRPIPGQ-GHMZBOCLSA-N -1 0 311.342 -0.327 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001573844228 1026641561 /nfs/dbraw/zinc/64/15/61/1026641561.db2.gz CXPXMZDYGPGVLZ-ZETCQYMHSA-N -1 0 302.312 -0.769 20 0 DBADRM CCc1nncn1CCNS(=O)(=O)C1(CC(=O)[O-])CC1 ZINC001573840848 1026641604 /nfs/dbraw/zinc/64/16/04/1026641604.db2.gz RBZMLBRQUMSCNT-UHFFFAOYSA-N -1 0 302.356 -0.233 20 0 DBADRM CCC/C=C\[C@H](O)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001573841554 1026641705 /nfs/dbraw/zinc/64/17/05/1026641705.db2.gz WJIUOQNDIFNNFU-OOMSKYPHSA-N -1 0 305.352 -0.586 20 0 DBADRM CCn1cc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccncc2)nn1 ZINC001573845073 1026641902 /nfs/dbraw/zinc/64/19/02/1026641902.db2.gz WJAAVFRIBMWRPF-GHMZBOCLSA-N -1 0 305.294 -0.390 20 0 DBADRM CCC[C@@H](O)CCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001573836136 1026642013 /nfs/dbraw/zinc/64/20/13/1026642013.db2.gz NWYCQIFKLKQONG-SNVBAGLBSA-N -1 0 321.395 -0.067 20 0 DBADRM CCCNC(=O)[C@H]1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001573856760 1026642554 /nfs/dbraw/zinc/64/25/54/1026642554.db2.gz CERULWHWNFRAJQ-JTQLQIEISA-N -1 0 323.353 -0.259 20 0 DBADRM CCn1nncc1CNC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573851342 1026643886 /nfs/dbraw/zinc/64/38/86/1026643886.db2.gz VPUKPFJLHWMKND-PSASIEDQSA-N -1 0 312.330 -0.932 20 0 DBADRM C[N@H+](CC(=O)N1CCC[C@H](C(=O)[O-])C1)C[C@@]1(O)CCCOC1 ZINC001573864522 1026646075 /nfs/dbraw/zinc/64/60/75/1026646075.db2.gz IDMTTZXHVSSYBZ-WFASDCNBSA-N -1 0 314.382 -0.217 20 0 DBADRM CN(CCC(=O)[O-])C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001573870369 1026646692 /nfs/dbraw/zinc/64/66/92/1026646692.db2.gz NCAFXVWIUNNFGN-NEPJUHHUSA-N -1 0 300.355 -0.201 20 0 DBADRM CN(CCCC(=O)N[C@@H]1CCCN(CC(N)=O)C1)C(=O)[O-] ZINC001573869833 1026646892 /nfs/dbraw/zinc/64/68/92/1026646892.db2.gz BKSQUQBXNODMBL-SNVBAGLBSA-N -1 0 300.359 -0.558 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCOC(=O)CNC(=O)C(C)(C)C ZINC001573865636 1026647956 /nfs/dbraw/zinc/64/79/56/1026647956.db2.gz YMWXBHRZLAXTOP-UHFFFAOYSA-N -1 0 302.327 -0.375 20 0 DBADRM CN(CCCC(=O)N[C@H]1CCCN(CC(N)=O)C1)C(=O)[O-] ZINC001573869832 1026648020 /nfs/dbraw/zinc/64/80/20/1026648020.db2.gz BKSQUQBXNODMBL-JTQLQIEISA-N -1 0 300.359 -0.558 20 0 DBADRM CN(CCC(=O)[O-])C(=O)Nc1n[nH]nc1C(=O)N1CCCC1 ZINC001573870375 1026648258 /nfs/dbraw/zinc/64/82/58/1026648258.db2.gz NKGJOXGTIMEXFV-UHFFFAOYSA-N -1 0 310.314 -0.021 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001573865600 1026648261 /nfs/dbraw/zinc/64/82/61/1026648261.db2.gz NUCHDORHFSCAOB-MPSDLYAZSA-N -1 0 313.401 -0.352 20 0 DBADRM CN(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)CNC(=O)[O-] ZINC001573870769 1026648491 /nfs/dbraw/zinc/64/84/91/1026648491.db2.gz RYKDFJVSIQLRGK-SECBINFHSA-N -1 0 319.358 -0.060 20 0 DBADRM CN(CC(=O)Nc1nc(CC(=O)[O-])cs1)[C@@H]1COC[C@H]1O ZINC001573864954 1026648514 /nfs/dbraw/zinc/64/85/14/1026648514.db2.gz PKSDKHJVSHHYQQ-RKDXNWHRSA-N -1 0 315.351 -0.600 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)Nc2cn(C)cc2C(=O)[O-])CCO1 ZINC001573889178 1026652283 /nfs/dbraw/zinc/65/22/83/1026652283.db2.gz FQAPMOTWPQRPHA-JTQLQIEISA-N -1 0 310.310 -0.298 20 0 DBADRM CNC(=O)C[C@@H](C)NC(=O)Nc1nnc(CC(=O)[O-])s1 ZINC001573889185 1026652410 /nfs/dbraw/zinc/65/24/10/1026652410.db2.gz FUIJPPOTDIAIHH-RXMQYKEDSA-N -1 0 301.328 -0.189 20 0 DBADRM CN1CCN(Cc2cnc3c(C(=O)[O-])cnn3c2)[C@H](CO)C1 ZINC001573885630 1026652422 /nfs/dbraw/zinc/65/24/22/1026652422.db2.gz SOVFRPNJPOAYSN-NSHDSACASA-N -1 0 305.338 -0.464 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NCc2cc(C(=O)[O-])no2)CCO1 ZINC001573889337 1026652579 /nfs/dbraw/zinc/65/25/79/1026652579.db2.gz ITUCMXPSSNCGEI-SECBINFHSA-N -1 0 312.282 -0.971 20 0 DBADRM CN1N=C(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccncc2)CCC1=O ZINC001573889314 1026653388 /nfs/dbraw/zinc/65/33/88/1026653388.db2.gz HROJZUMMCNYJDZ-VXGBXAGGSA-N -1 0 320.305 -0.707 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)C1 ZINC001573884354 1026653757 /nfs/dbraw/zinc/65/37/57/1026653757.db2.gz DEHWJUVUQJYYGH-SDDRHHMPSA-N -1 0 309.322 -0.985 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc(C(=O)[O-])no1 ZINC001573889983 1026654601 /nfs/dbraw/zinc/65/46/01/1026654601.db2.gz GAXZXAHJHCPGMT-ZETCQYMHSA-N -1 0 307.266 -0.817 20 0 DBADRM CCOCCOCCN(C)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001573913668 1026661204 /nfs/dbraw/zinc/66/12/04/1026661204.db2.gz LTQMFWKWFFXMLT-UHFFFAOYSA-N -1 0 300.315 -0.512 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)NC[C@H](C)CC(=O)[O-] ZINC001573890758 1026655300 /nfs/dbraw/zinc/65/53/00/1026655300.db2.gz WXRHOZCVGOZOIW-ZJUUUORDSA-N -1 0 316.358 -0.563 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573889935 1026655369 /nfs/dbraw/zinc/65/53/69/1026655369.db2.gz DFFRRQSXHKENCM-NGZCFLSTSA-N -1 0 308.338 -0.316 20 0 DBADRM CNC(=O)NCCC(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccncc1 ZINC001573890612 1026655464 /nfs/dbraw/zinc/65/54/64/1026655464.db2.gz UZEZPEPCHOYNAL-WDEREUQCSA-N -1 0 310.310 -0.997 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](NC(=O)[O-])C(C)C ZINC001573890207 1026655837 /nfs/dbraw/zinc/65/58/37/1026655837.db2.gz KLFMLPZANSKPMQ-VHSXEESVSA-N -1 0 311.342 -0.525 20 0 DBADRM COC(=O)[C@](C)(CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001573907136 1026656674 /nfs/dbraw/zinc/65/66/74/1026656674.db2.gz LXQVYUOTDLTAHF-LBPRGKRZSA-N -1 0 317.319 -0.413 20 0 DBADRM CCOC(=O)C[C@@H](O)CN1CCO[C@](COC)(C(=O)[O-])C1 ZINC001573894925 1026657122 /nfs/dbraw/zinc/65/71/22/1026657122.db2.gz PJPGLRYQAGHWQO-ZWNOBZJWSA-N -1 0 305.327 -0.898 20 0 DBADRM CNC(=O)c1ccc(NC(=O)N[C@H]2CCN(C(=O)[O-])C2)nn1 ZINC001573896621 1026658007 /nfs/dbraw/zinc/65/80/07/1026658007.db2.gz OXOWJAVWGPEPIN-ZETCQYMHSA-N -1 0 308.298 -0.290 20 0 DBADRM CC(C)(CNC(N)=O)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001573901704 1026658118 /nfs/dbraw/zinc/65/81/18/1026658118.db2.gz CRPWWWJDSYTKMP-UHFFFAOYSA-N -1 0 319.325 -0.251 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@H](C)c2nc(C(=O)[O-])n[nH]2)n1 ZINC001573896116 1026658251 /nfs/dbraw/zinc/65/82/51/1026658251.db2.gz FNFFYPDMMFVIMX-ZCFIWIBFSA-N -1 0 318.293 -0.252 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)NCc1cc(C(=O)[O-])no1 ZINC001573908268 1026659354 /nfs/dbraw/zinc/65/93/54/1026659354.db2.gz WGDVHDFIMDSPRT-LURJTMIESA-N -1 0 306.296 -0.399 20 0 DBADRM CNc1nc(C)cc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001573909679 1026659363 /nfs/dbraw/zinc/65/93/63/1026659363.db2.gz BQAYLYYBJGPQDR-WCBMZHEXSA-N -1 0 309.326 -0.473 20 0 DBADRM CNc1nc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)cs1 ZINC001573910307 1026659504 /nfs/dbraw/zinc/65/95/04/1026659504.db2.gz JUWWHTXJDVLOJK-NKWVEPMBSA-N -1 0 300.340 -0.115 20 0 DBADRM CNS(=O)(=O)CCSc1[nH]c(=O)nc(C)c1C(=O)[O-] ZINC001573909795 1026659639 /nfs/dbraw/zinc/65/96/39/1026659639.db2.gz DKTXXQHFZSCDQQ-UHFFFAOYSA-N -1 0 307.353 -0.170 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)c2cn(CC(=O)[O-])nn2)[C@]12CCCO2 ZINC001573911872 1026659886 /nfs/dbraw/zinc/65/98/86/1026659886.db2.gz UTSPOTZKVUROFC-JTNHKYCSSA-N -1 0 324.337 -0.181 20 0 DBADRM COC(=O)[C@]1(CNC(=O)[C@@H]2CSCN2C(=O)[O-])CCOC1 ZINC001573914967 1026660823 /nfs/dbraw/zinc/66/08/23/1026660823.db2.gz DAUSDAZVVVBLHP-UFBFGSQYSA-N -1 0 318.351 -0.265 20 0 DBADRM COC(=O)[C@H]1CCN1C(=O)c1ccnc2c(C(=O)[O-])cnn21 ZINC001573914804 1026660982 /nfs/dbraw/zinc/66/09/82/1026660982.db2.gz PABYUDITYHVUSE-SECBINFHSA-N -1 0 304.262 -0.185 20 0 DBADRM CCOCCOC[C@H](O)CNC(=O)c1ccc(C(=O)[O-])nc1 ZINC001573913630 1026661012 /nfs/dbraw/zinc/66/10/12/1026661012.db2.gz LEVCMPDGZJGHGG-LLVKDONJSA-N -1 0 312.322 -0.076 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573914986 1026661870 /nfs/dbraw/zinc/66/18/70/1026661870.db2.gz RDBAFUCRYAWMSO-IVZWLZJFSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001573925439 1026665271 /nfs/dbraw/zinc/66/52/71/1026665271.db2.gz IJXAYOLWSYNSEQ-HGNGGELXSA-N -1 0 311.294 -0.571 20 0 DBADRM COC(=O)CN(CCN1CCOCC1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC001573921697 1026665724 /nfs/dbraw/zinc/66/57/24/1026665724.db2.gz MBQNNEBRNCCSLE-NWDGAFQWSA-N -1 0 300.355 -0.486 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)Nc1cn(C)cc1C(=O)[O-] ZINC001573921499 1026665756 /nfs/dbraw/zinc/66/57/56/1026665756.db2.gz HFMKDQWYHSGWQK-UHFFFAOYSA-N -1 0 312.282 -0.866 20 0 DBADRM COC(=O)CNC(=O)Cn1cc(CC(=O)[O-])cc(Cl)c1=O ZINC001573922034 1026665870 /nfs/dbraw/zinc/66/58/70/1026665870.db2.gz ZTTHNYSVMSYMAW-UHFFFAOYSA-N -1 0 316.697 -0.582 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)CC(C)(C)C(=O)[O-] ZINC001573921837 1026665909 /nfs/dbraw/zinc/66/59/09/1026665909.db2.gz QMTWLHMFDUOUHU-UHFFFAOYSA-N -1 0 302.327 -0.327 20 0 DBADRM COC(=O)NC1CN(Cc2cnc3c(C(=O)[O-])cnn3c2)C1 ZINC001573922359 1026665969 /nfs/dbraw/zinc/66/59/69/1026665969.db2.gz NESSOODXAXFGMJ-UHFFFAOYSA-N -1 0 305.294 -0.032 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001573931053 1026666736 /nfs/dbraw/zinc/66/67/36/1026666736.db2.gz RVPVABCPLZCIRJ-LURQLKTLSA-N -1 0 300.311 -0.720 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CCSC[C@@H]2C(=O)[O-])C[C@H]1C ZINC001573934996 1026666947 /nfs/dbraw/zinc/66/69/47/1026666947.db2.gz IWKLPQFRHVBJFX-ZYUZMQFOSA-N -1 0 317.363 -0.018 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N2CSC[C@@H]2C(=O)[O-])C[C@H]1C ZINC001573934739 1026667782 /nfs/dbraw/zinc/66/77/82/1026667782.db2.gz AOELVUJXAHQPFH-FNCVBFRFSA-N -1 0 303.336 -0.061 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)O1 ZINC001573931430 1026667896 /nfs/dbraw/zinc/66/78/96/1026667896.db2.gz WHVOBFBLPPABSU-OUAUKWLOSA-N -1 0 315.322 -0.297 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573935089 1026668055 /nfs/dbraw/zinc/66/80/55/1026668055.db2.gz KTGHHZSMZNDGKW-UTINFBMNSA-N -1 0 315.326 -0.935 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-])n[nH]1 ZINC001573938699 1026668767 /nfs/dbraw/zinc/66/87/67/1026668767.db2.gz PJJDOOUWQJEDOM-PHDIDXHHSA-N -1 0 305.312 -0.416 20 0 DBADRM COC(=O)c1cc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)nn1C ZINC001573938082 1026669465 /nfs/dbraw/zinc/66/94/65/1026669465.db2.gz JCGZYBGRNDXNDY-QMMMGPOBSA-N -1 0 312.282 -0.476 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)NCc2cc(C(=O)[O-])no2)C1 ZINC001573935471 1026669605 /nfs/dbraw/zinc/66/96/05/1026669605.db2.gz RZYKNNFZIUPRHM-WRXNHJIOSA-N -1 0 318.307 -0.256 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-])n[nH]1 ZINC001573938697 1026669721 /nfs/dbraw/zinc/66/97/21/1026669721.db2.gz PJJDOOUWQJEDOM-NTSWFWBYSA-N -1 0 305.312 -0.416 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC2(CC(=O)[O-])COC2)c[nH]1 ZINC001573940504 1026670208 /nfs/dbraw/zinc/67/02/08/1026670208.db2.gz CRVUOSXSMBMQNG-UHFFFAOYSA-N -1 0 318.307 -0.677 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001573935320 1026670286 /nfs/dbraw/zinc/67/02/86/1026670286.db2.gz QTCOYMRERFYYFT-NXEZZACHSA-N -1 0 320.367 -0.574 20 0 DBADRM COC(=O)[C@@]1(NC(=O)[C@@H]2CSCN2C(=O)[O-])C[C@H](O)C1 ZINC001573935398 1026670376 /nfs/dbraw/zinc/67/03/76/1026670376.db2.gz OIEMJPVSLHDTTG-OKTBNZSVSA-N -1 0 304.324 -0.778 20 0 DBADRM COC(=O)c1cccn(CC(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c1=O ZINC001573942035 1026670851 /nfs/dbraw/zinc/67/08/51/1026670851.db2.gz NEISDWXMVHUQDL-RKDXNWHRSA-N -1 0 310.306 -0.140 20 0 DBADRM CO[C@H](C(=O)N[C@H](C)c1nc(C(=O)[O-])n[nH]1)c1cnn(C)c1 ZINC001573947616 1026670884 /nfs/dbraw/zinc/67/08/84/1026670884.db2.gz KVHDUPBNLWJKFL-SVRRBLITSA-N -1 0 308.298 -0.199 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])n[nH]1 ZINC001573940925 1026671286 /nfs/dbraw/zinc/67/12/86/1026671286.db2.gz WCBNNIJCPIHAEZ-SSDOTTSWSA-N -1 0 317.323 -0.272 20 0 DBADRM COC(=O)c1cccn(CC(=O)NCC2(C(=O)[O-])CC2)c1=O ZINC001573943427 1026671341 /nfs/dbraw/zinc/67/13/41/1026671341.db2.gz WQHCUCVMARRWHZ-UHFFFAOYSA-N -1 0 308.290 -0.384 20 0 DBADRM COC(=O)c1cn(C2CN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])C2)nn1 ZINC001573942533 1026671436 /nfs/dbraw/zinc/67/14/36/1026671436.db2.gz QUDZYPHEBMHUIL-DTWKUNHWSA-N -1 0 308.294 -0.441 20 0 DBADRM CO[C@@H](CS(=O)(=O)N[C@H](C)c1nc(C(=O)[O-])n[nH]1)C1CC1 ZINC001573947990 1026671490 /nfs/dbraw/zinc/67/14/90/1026671490.db2.gz GCLOZADGLPYSMU-SVRRBLITSA-N -1 0 318.355 -0.092 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)NC[C@@H](C)C(=O)[O-] ZINC001573947572 1026671517 /nfs/dbraw/zinc/67/15/17/1026671517.db2.gz JAGAXGNPJMMHJB-SSDOTTSWSA-N -1 0 300.267 -0.185 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C(N)=O ZINC001573943492 1026671637 /nfs/dbraw/zinc/67/16/37/1026671637.db2.gz WIKAKUBVRRIEBG-KWQFWETISA-N -1 0 309.322 -0.437 20 0 DBADRM COC(=O)c1cnn(C)c1NC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001573947876 1026672073 /nfs/dbraw/zinc/67/20/73/1026672073.db2.gz MNIGGGXHTMLRKS-NSHDSACASA-N -1 0 300.271 -0.836 20 0 DBADRM CO[C@@]1(C(=O)Nc2ncc(C(=O)[O-])n2C)CCS(=O)(=O)C1 ZINC001573947673 1026672179 /nfs/dbraw/zinc/67/21/79/1026672179.db2.gz AQEPDNFSIAYUND-NSHDSACASA-N -1 0 317.323 -0.740 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001573941756 1026672203 /nfs/dbraw/zinc/67/22/03/1026672203.db2.gz JSWGQGFQIBSJTE-MRVPVSSYSA-N -1 0 319.291 -0.460 20 0 DBADRM COC(=O)c1cn(C)nc1NC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001573943514 1026672289 /nfs/dbraw/zinc/67/22/89/1026672289.db2.gz XSBQHHKCHICLRZ-LLVKDONJSA-N -1 0 300.271 -0.836 20 0 DBADRM COC1(C(=O)N(C)c2nc(C(=O)[O-])cs2)CS(=O)(=O)C1 ZINC001573949011 1026673060 /nfs/dbraw/zinc/67/30/60/1026673060.db2.gz MECXCIBTQCUSKC-UHFFFAOYSA-N -1 0 320.348 -0.382 20 0 DBADRM CO[C@]1(CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)CCOC1 ZINC001573952616 1026673254 /nfs/dbraw/zinc/67/32/54/1026673254.db2.gz BZGUAKQHCBAKAS-NRUUGDAUSA-N -1 0 317.342 -0.938 20 0 DBADRM COC[C@H](C)OC(=O)N1CCOC[C@H]1C(=O)NCC(=O)[O-] ZINC001573969073 1026679647 /nfs/dbraw/zinc/67/96/47/1026679647.db2.gz QFUBROMBYSQCPQ-IUCAKERBSA-N -1 0 304.299 -0.941 20 0 DBADRM CO[C@@H]1CN(C(=O)Nc2ncn(CC(=O)[O-])n2)[C@@](C)(CO)C1 ZINC001573956145 1026673291 /nfs/dbraw/zinc/67/32/91/1026673291.db2.gz AFKBXQDVJVYCRC-QPUJVOFHSA-N -1 0 313.314 -0.634 20 0 DBADRM CO[C@]1(C(=O)Nc2cnc(C(=O)[O-])s2)CCS(=O)(=O)C1 ZINC001573948150 1026673488 /nfs/dbraw/zinc/67/34/88/1026673488.db2.gz GWJWOSZKSUGKNC-SNVBAGLBSA-N -1 0 320.348 -0.017 20 0 DBADRM CO[C@@]1(CNC(=O)c2cc(C(=O)[O-])no2)CCS(=O)(=O)C1 ZINC001573952554 1026673589 /nfs/dbraw/zinc/67/35/89/1026673589.db2.gz ASEAQUCACXQSFP-LLVKDONJSA-N -1 0 318.307 -0.694 20 0 DBADRM CO[C@]1(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001573949026 1026674276 /nfs/dbraw/zinc/67/42/76/1026674276.db2.gz MHRQURICGWCAEM-BXKDBHETSA-N -1 0 320.367 -0.551 20 0 DBADRM CN(C)C(=O)OCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001573983199 1026684069 /nfs/dbraw/zinc/68/40/69/1026684069.db2.gz NWMRVPWKXCWALD-UHFFFAOYSA-N -1 0 323.371 -0.684 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)NCc3nc(C(=O)[O-])n[nH]3)nc2C1 ZINC001573957360 1026675865 /nfs/dbraw/zinc/67/58/65/1026675865.db2.gz PNMXIGOPSLCBSX-SSDOTTSWSA-N -1 0 320.309 -0.409 20 0 DBADRM COC[C@H](C(=O)[O-])N(C(=O)COCc1nncn1C)C1CC1 ZINC001573967434 1026678792 /nfs/dbraw/zinc/67/87/92/1026678792.db2.gz VXEPEIDERFWHND-SNVBAGLBSA-N -1 0 312.326 -0.578 20 0 DBADRM CC(C)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@H]1O ZINC001573969599 1026678974 /nfs/dbraw/zinc/67/89/74/1026678974.db2.gz NIPYCYXFAPRIOU-GHMZBOCLSA-N -1 0 317.353 -0.417 20 0 DBADRM COC[C@@H](NC(=O)Nc1c(C(=O)[O-])nc2ccccn21)C(N)=O ZINC001573969034 1026679411 /nfs/dbraw/zinc/67/94/11/1026679411.db2.gz PNJGJTZGHQIJCK-SSDOTTSWSA-N -1 0 321.293 -0.346 20 0 DBADRM COC[C@@H](CS(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)OC ZINC001573967978 1026680081 /nfs/dbraw/zinc/68/00/81/1026680081.db2.gz ADJXOSSEDCAHOB-ZRUFSTJUSA-N -1 0 307.368 -0.370 20 0 DBADRM CC(C)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573975890 1026681127 /nfs/dbraw/zinc/68/11/27/1026681127.db2.gz UEXCUSWCLLQUTB-JZYVYDRUSA-N -1 0 314.353 -0.137 20 0 DBADRM CCn1ncc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001573972107 1026681774 /nfs/dbraw/zinc/68/17/74/1026681774.db2.gz JTCYZCUAZLRYBJ-VIFPVBQESA-N -1 0 309.326 -0.507 20 0 DBADRM COCC[C@H](NC(=O)CC1(C(=O)[O-])CCOCC1)C(N)=O ZINC001573978416 1026683270 /nfs/dbraw/zinc/68/32/70/1026683270.db2.gz SJWLNQOCLOXRSM-VIFPVBQESA-N -1 0 302.327 -0.736 20 0 DBADRM COC[C@H](NC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(=O)[O-] ZINC001573985165 1026683977 /nfs/dbraw/zinc/68/39/77/1026683977.db2.gz MEMUVKHLLZOHED-VIFPVBQESA-N -1 0 308.294 -0.911 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)[C@@]2(C(=O)[O-])CCCO2)n1 ZINC001573982565 1026684282 /nfs/dbraw/zinc/68/42/82/1026684282.db2.gz AATQPHOHBIWDGN-CYBMUJFWSA-N -1 0 310.310 -0.456 20 0 DBADRM COC[C@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC001573985170 1026684405 /nfs/dbraw/zinc/68/44/05/1026684405.db2.gz MNBOTUUTYWTDFS-NSHDSACASA-N -1 0 305.294 -0.579 20 0 DBADRM COC[C@H](NC(=O)c1cn(C)c2c(cnn2C)c1=O)C(=O)[O-] ZINC001573990328 1026685220 /nfs/dbraw/zinc/68/52/20/1026685220.db2.gz GBBLIEKIMXONBQ-VIFPVBQESA-N -1 0 308.294 -0.899 20 0 DBADRM COC[C@H](NS(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1)C(=O)[O-] ZINC001573990919 1026686130 /nfs/dbraw/zinc/68/61/30/1026686130.db2.gz NMCREJPWYXEYSQ-OUAUKWLOSA-N -1 0 307.368 -0.037 20 0 DBADRM COC[C@H](NS(=O)(=O)CC1(OC)CCOCC1)C(=O)[O-] ZINC001573990864 1026686166 /nfs/dbraw/zinc/68/61/66/1026686166.db2.gz MRUOLTPNKSFNMU-VIFPVBQESA-N -1 0 311.356 -0.799 20 0 DBADRM COCCn1cc(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)nn1 ZINC001573986542 1026686854 /nfs/dbraw/zinc/68/68/54/1026686854.db2.gz WZHKIBHCQQMDLP-ZDUSSCGKSA-N -1 0 312.326 -0.464 20 0 DBADRM COCc1nnc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)[O-])C2)[n-]1 ZINC001573992514 1026687715 /nfs/dbraw/zinc/68/77/15/1026687715.db2.gz HPVLHFDUYOJBBM-VIFPVBQESA-N -1 0 311.342 -0.636 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)[C@@H](CC(=O)[O-])C(F)(F)F)C[C@H]1O ZINC001573992432 1026687909 /nfs/dbraw/zinc/68/79/09/1026687909.db2.gz PFEVOFRAFIBEJB-QYNIQEEDSA-N -1 0 321.273 -0.587 20 0 DBADRM CN(C)c1ccnc(C(=O)NCCOCCOCC(=O)[O-])c1 ZINC001573997241 1026688444 /nfs/dbraw/zinc/68/84/44/1026688444.db2.gz OQYUTUWNYIUAJJ-UHFFFAOYSA-N -1 0 311.338 -0.005 20 0 DBADRM CN(Cc1nc[nH]n1)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574022177 1026689943 /nfs/dbraw/zinc/68/99/43/1026689943.db2.gz LJBRXLJSKJPRHS-VIFPVBQESA-N -1 0 324.341 -0.588 20 0 DBADRM CN(Cc1nnc2n1CCNC2=O)C(=O)C1(C(=O)[O-])CCC1 ZINC001574021738 1026690548 /nfs/dbraw/zinc/69/05/48/1026690548.db2.gz FJUPWXGVKMDDJF-UHFFFAOYSA-N -1 0 307.310 -0.765 20 0 DBADRM COc1cc(C(N)=O)ccc1NC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001574012226 1026690708 /nfs/dbraw/zinc/69/07/08/1026690708.db2.gz GGENKSVOZGXLTE-CYBMUJFWSA-N -1 0 311.294 -0.249 20 0 DBADRM CN(Cc1nc[nH]n1)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574022175 1026690882 /nfs/dbraw/zinc/69/08/82/1026690882.db2.gz LJBRXLJSKJPRHS-SECBINFHSA-N -1 0 324.341 -0.588 20 0 DBADRM CN(Cc1nnc2n1CCNC2=O)C(=O)[C@H](C(=O)[O-])C1CC1 ZINC001574023005 1026690895 /nfs/dbraw/zinc/69/08/95/1026690895.db2.gz SRURZBMSRXBULL-SECBINFHSA-N -1 0 307.310 -0.909 20 0 DBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1COC(=O)C1 ZINC001574023779 1026690989 /nfs/dbraw/zinc/69/09/89/1026690989.db2.gz OOLJODBCSMGBMJ-QMMMGPOBSA-N -1 0 315.303 -0.013 20 0 DBADRM COc1c[nH]c(C(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)cc1=O ZINC001574012328 1026691130 /nfs/dbraw/zinc/69/11/30/1026691130.db2.gz JDSHDTRCWBCKIF-APPZFPTMSA-N -1 0 311.294 -0.916 20 0 DBADRM COC(=O)[C@H](COC(C)C)N(C)C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001574045119 1026692150 /nfs/dbraw/zinc/69/21/50/1026692150.db2.gz BVGLTFYAMUANES-UWVGGRQHSA-N -1 0 316.310 -0.359 20 0 DBADRM CNC(=O)C(C)(C)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001574032405 1026692462 /nfs/dbraw/zinc/69/24/62/1026692462.db2.gz WWKIPBXEJOQCRU-SECBINFHSA-N -1 0 313.354 -0.802 20 0 DBADRM COC(=O)C1(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001574045476 1026692681 /nfs/dbraw/zinc/69/26/81/1026692681.db2.gz DAJFJUSNFQVTPY-SECBINFHSA-N -1 0 312.322 -0.479 20 0 DBADRM CNC(=O)[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C(C)C ZINC001574038304 1026692757 /nfs/dbraw/zinc/69/27/57/1026692757.db2.gz DNTKOZVIYOTTAB-NSHDSACASA-N -1 0 309.322 -0.567 20 0 DBADRM COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)[C@@H](OC)C(=O)[O-] ZINC001574037669 1026693006 /nfs/dbraw/zinc/69/30/06/1026693006.db2.gz FQPZJNUSHZLZTG-KXUCPTDWSA-N -1 0 303.311 -0.440 20 0 DBADRM COC(=O)[C@@H](COC(C)C)N(C)C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001574045118 1026693154 /nfs/dbraw/zinc/69/31/54/1026693154.db2.gz BVGLTFYAMUANES-NXEZZACHSA-N -1 0 316.310 -0.359 20 0 DBADRM COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001574046858 1026694282 /nfs/dbraw/zinc/69/42/82/1026694282.db2.gz NXMJEWQIGQEJGM-CERSQZSQSA-N -1 0 314.294 -0.605 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N[C@H](C)CC(=O)[O-])C1=O ZINC001574046987 1026694461 /nfs/dbraw/zinc/69/44/61/1026694461.db2.gz IURLFVWBFMBDQA-RKDXNWHRSA-N -1 0 300.311 -0.623 20 0 DBADRM COc1nnccc1NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001574054298 1026694764 /nfs/dbraw/zinc/69/47/64/1026694764.db2.gz LQWVBJGGEVZPOO-IONNQARKSA-N -1 0 311.298 -0.423 20 0 DBADRM COc1nccc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001574055678 1026696089 /nfs/dbraw/zinc/69/60/89/1026696089.db2.gz VEGLJSBRVQNRRW-YUMQZZPRSA-N -1 0 311.298 -0.423 20 0 DBADRM CSC[C@H](NC(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O)C(=O)[O-] ZINC001574096203 1026702654 /nfs/dbraw/zinc/70/26/54/1026702654.db2.gz BFOBLVJEVKLLKB-XVYDVKMFSA-N -1 0 304.368 -0.806 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)CO[C@@H]2CCOC2)CC1 ZINC001574059086 1026698123 /nfs/dbraw/zinc/69/81/23/1026698123.db2.gz CMZHIUVUQJQGEB-LADRHHBVSA-N -1 0 319.379 -0.384 20 0 DBADRM CS(=O)(=O)Cc1nc(C(=O)N2CC3CC2(C(=O)[O-])C3)co1 ZINC001574057723 1026698177 /nfs/dbraw/zinc/69/81/77/1026698177.db2.gz WWXHZCZVETZBER-UHFFFAOYSA-N -1 0 314.319 -0.092 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001574059360 1026698365 /nfs/dbraw/zinc/69/83/65/1026698365.db2.gz JCSXZBNPMHXUIK-JLIMGVALSA-N -1 0 304.368 -0.459 20 0 DBADRM CS(=O)(=O)c1ccc(F)c(CNC(=O)[C@@H](O)CC(=O)[O-])c1 ZINC001574059496 1026698387 /nfs/dbraw/zinc/69/83/87/1026698387.db2.gz MKFSDDOVKHNGAC-JTQLQIEISA-N -1 0 319.310 -0.319 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1[nH]cnc1C(=O)[O-] ZINC001574059429 1026698502 /nfs/dbraw/zinc/69/85/02/1026698502.db2.gz KQQXTBBJWGLHBB-MRVPVSSYSA-N -1 0 316.339 -0.852 20 0 DBADRM CS(=O)(=O)c1cccnc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001574059114 1026698510 /nfs/dbraw/zinc/69/85/10/1026698510.db2.gz DLOIDRZPBQWLHN-MRVPVSSYSA-N -1 0 314.319 -0.589 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(Cc2nc(C(=O)[O-])no2)C1 ZINC001574059073 1026698768 /nfs/dbraw/zinc/69/87/68/1026698768.db2.gz CAWPRBOASADBAE-QMMMGPOBSA-N -1 0 318.355 -0.471 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001574066577 1026699850 /nfs/dbraw/zinc/69/98/50/1026699850.db2.gz VTPUWTWSVKWKIW-BBBLOLIVSA-N -1 0 312.322 -0.623 20 0 DBADRM CS(=O)(=O)Cc1noc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])n1 ZINC001574060134 1026700008 /nfs/dbraw/zinc/70/00/08/1026700008.db2.gz YQRRSWNRGCOBKV-NTSWFWBYSA-N -1 0 303.296 -0.337 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC001574060114 1026700416 /nfs/dbraw/zinc/70/04/16/1026700416.db2.gz YCTRYOYQHCZESI-BTKVJGODSA-N -1 0 317.363 -0.236 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001574077317 1026700527 /nfs/dbraw/zinc/70/05/27/1026700527.db2.gz OVINRDJJFYUGHF-ACLDMZEESA-N -1 0 300.311 -0.720 20 0 DBADRM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H](OC)C(=O)[O-] ZINC001574061734 1026700555 /nfs/dbraw/zinc/70/05/55/1026700555.db2.gz QOANBLZLSKYOAW-GXSJLCMTSA-N -1 0 303.311 -0.343 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)N1CCO[C@](C)(C(=O)[O-])C1 ZINC001574097113 1026702549 /nfs/dbraw/zinc/70/25/49/1026702549.db2.gz VSBMJXWMAAWYNO-UFBFGSQYSA-N -1 0 319.383 -0.522 20 0 DBADRM COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)[C@H](OC)C(=O)[O-] ZINC001574081828 1026702628 /nfs/dbraw/zinc/70/26/28/1026702628.db2.gz NYMTVSBMWNHLJQ-QMMMGPOBSA-N -1 0 314.250 -0.374 20 0 DBADRM COC(=O)c1cn(CCNC(=O)NCCCCC(=O)[O-])nn1 ZINC001574094094 1026702714 /nfs/dbraw/zinc/70/27/14/1026702714.db2.gz DDWWZEDGURIEGB-UHFFFAOYSA-N -1 0 313.314 -0.381 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)NCc1cc(C(=O)[O-])no1 ZINC001574097064 1026702850 /nfs/dbraw/zinc/70/28/50/1026702850.db2.gz GVEXIUKMJPJIOL-UHFFFAOYSA-N -1 0 318.311 -0.574 20 0 DBADRM COC(=O)c1cn([C@@H]2CCN(C(=O)[C@]3(C(=O)[O-])C[C@H]3C)C2)nn1 ZINC001574095734 1026702983 /nfs/dbraw/zinc/70/29/83/1026702983.db2.gz XOGSAEYLJMFPAH-NUPCCRGMSA-N -1 0 322.321 -0.051 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)N[C@@H]2COC(=O)C2)CC1 ZINC001574096493 1026703305 /nfs/dbraw/zinc/70/33/05/1026703305.db2.gz APJNUNIQYMGAHH-PPRQPISWSA-N -1 0 318.351 -0.691 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC001574098187 1026705664 /nfs/dbraw/zinc/70/56/64/1026705664.db2.gz YOJGTVXAHPHFCF-JGVFFNPUSA-N -1 0 314.385 -0.572 20 0 DBADRM C[C@H](Cc1cn(C)nn1)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001574104113 1026704172 /nfs/dbraw/zinc/70/41/72/1026704172.db2.gz GAEUPFAIKYUUJI-SCZZXKLOSA-N -1 0 317.371 -0.871 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001574098628 1026704187 /nfs/dbraw/zinc/70/41/87/1026704187.db2.gz MFWBCYRMQAYBBN-TUAOUCFPSA-N -1 0 300.355 -0.202 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC001574104026 1026704344 /nfs/dbraw/zinc/70/43/44/1026704344.db2.gz DCKIJVJRTMUJLE-JTQLQIEISA-N -1 0 316.335 -0.025 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC001574102173 1026704525 /nfs/dbraw/zinc/70/45/25/1026704525.db2.gz RQVCFCDGBQYRBD-IUCAKERBSA-N -1 0 308.356 -0.984 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(CCNC(=O)C2CC2)CC1 ZINC001574097547 1026704880 /nfs/dbraw/zinc/70/48/80/1026704880.db2.gz POWLGBWQPPZVBG-HXUWFJFHSA-N -1 0 302.396 -0.190 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H](CCSC)C(=O)N(C)OC ZINC001574104896 1026705209 /nfs/dbraw/zinc/70/52/09/1026705209.db2.gz KOQJTAUPKMUKDI-YUMQZZPRSA-N -1 0 308.356 -0.656 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001574097558 1026705649 /nfs/dbraw/zinc/70/56/49/1026705649.db2.gz PVLMAWSBALQYQY-FFVOIRBGSA-N -1 0 302.352 -0.911 20 0 DBADRM C[C@H](Cc1cn(C)nn1)NS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001574104111 1026705925 /nfs/dbraw/zinc/70/59/25/1026705925.db2.gz GAEUPFAIKYUUJI-PSASIEDQSA-N -1 0 317.371 -0.871 20 0 DBADRM Cc1[nH]c(C(=O)[O-])c(C)c1CNCc1nnc2n1CCNC2=O ZINC001574110372 1026707382 /nfs/dbraw/zinc/70/73/82/1026707382.db2.gz BPBKAGOUHIGCHV-UHFFFAOYSA-N -1 0 318.337 -0.046 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC001574106228 1026708046 /nfs/dbraw/zinc/70/80/46/1026708046.db2.gz UUHJHKUCWNZZMU-JTQLQIEISA-N -1 0 306.278 -0.391 20 0 DBADRM COC1(c2cnnn2C)CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001574119380 1026708803 /nfs/dbraw/zinc/70/88/03/1026708803.db2.gz FBCIPAZJFFBHAL-VHSXEESVSA-N -1 0 308.338 0.000 20 0 DBADRM Cc1c(C(=O)[O-])n[nH]c1NC(=O)[C@H](NS(C)(=O)=O)C(C)C ZINC001574120304 1026709374 /nfs/dbraw/zinc/70/93/74/1026709374.db2.gz FQJSZPVQGXFGRX-SSDOTTSWSA-N -1 0 318.355 -0.071 20 0 DBADRM CO[C@H]1COCC[C@@H]1CC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001574117619 1026709557 /nfs/dbraw/zinc/70/95/57/1026709557.db2.gz CACVLTNFRVWXRA-YXMPFFBPSA-N -1 0 313.350 -0.012 20 0 DBADRM COCC[C@@H](COC)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001574143759 1026713838 /nfs/dbraw/zinc/71/38/38/1026713838.db2.gz XIFYADBXJPOWOJ-MJVIPROJSA-N -1 0 316.354 -0.220 20 0 DBADRM Cc1cc(NC(=O)[C@H]2CCCS2(=O)=O)n(CC(=O)[O-])n1 ZINC001574141720 1026714291 /nfs/dbraw/zinc/71/42/91/1026714291.db2.gz QODYMWVEKYUEPL-MRVPVSSYSA-N -1 0 301.324 -0.208 20 0 DBADRM COCCN(CCC(=O)OC)C(=O)c1cnc(C(=O)[O-])cn1 ZINC001574158689 1026714851 /nfs/dbraw/zinc/71/48/51/1026714851.db2.gz JBJHBXFZWWYASA-UHFFFAOYSA-N -1 0 311.294 -0.174 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001574153566 1026715279 /nfs/dbraw/zinc/71/52/79/1026715279.db2.gz IOSWRIGGIYQFMC-SECBINFHSA-N -1 0 312.326 -0.504 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@@H](C)c2nc(C(=O)[O-])n[nH]2)nn1 ZINC001574156901 1026716044 /nfs/dbraw/zinc/71/60/44/1026716044.db2.gz VDASUIPTDDNVFD-LURJTMIESA-N -1 0 312.311 -0.359 20 0 DBADRM COCC[C@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)C(=O)OC ZINC001574149582 1026716447 /nfs/dbraw/zinc/71/64/47/1026716447.db2.gz GJKBNLPGBSBIEP-AXFHLTTASA-N -1 0 317.338 -0.049 20 0 DBADRM Cc1conc1CS(=O)(=O)N1CCO[C@@](C)(C(=O)[O-])C1 ZINC001574178746 1026717273 /nfs/dbraw/zinc/71/72/73/1026717273.db2.gz CIBNSOHIKAYDJA-LLVKDONJSA-N -1 0 304.324 -0.012 20 0 DBADRM Cc1cn2nc(C(=O)N3CC([C@H](F)C(=O)[O-])C3)cc2c(=O)[nH]1 ZINC001574172325 1026717302 /nfs/dbraw/zinc/71/73/02/1026717302.db2.gz CXRQTPJSAHBLNM-JTQLQIEISA-N -1 0 308.269 -0.174 20 0 DBADRM Cc1cn2c(n1)C[C@H](C(=O)NCc1nc(C(=O)[O-])n[nH]1)CC2 ZINC001574172553 1026717348 /nfs/dbraw/zinc/71/73/48/1026717348.db2.gz GHDQLYHJLGXZGV-MRVPVSSYSA-N -1 0 304.310 -0.113 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001574173759 1026717583 /nfs/dbraw/zinc/71/75/83/1026717583.db2.gz ZCAOERBNHSNPAH-STQMWFEESA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1ccn2ncc(C(=O)N[C@@H]3CN(C(=O)[O-])C[C@H]3CO)c2n1 ZINC001574172775 1026718039 /nfs/dbraw/zinc/71/80/39/1026718039.db2.gz LECGVHAXGLTBFL-GXSJLCMTSA-N -1 0 319.321 -0.262 20 0 DBADRM Cc1ccnn1CC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001574173751 1026718347 /nfs/dbraw/zinc/71/83/47/1026718347.db2.gz ZBGZYSSUBDCDNO-OLZOCXBDSA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1cnn(CC(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)c1 ZINC001574179869 1026718404 /nfs/dbraw/zinc/71/84/04/1026718404.db2.gz LJRRRNDLSBXYMW-QWHCGFSZSA-N -1 0 304.306 -0.110 20 0 DBADRM Cc1ccn(C[C@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])n1 ZINC001574173371 1026718609 /nfs/dbraw/zinc/71/86/09/1026718609.db2.gz YBNYQGVESWWDKW-GDPRMGEGSA-N -1 0 310.354 -0.078 20 0 DBADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)Cn1nnc(N)n1 ZINC001574172448 1026718774 /nfs/dbraw/zinc/71/87/74/1026718774.db2.gz IFUDVGIVEMSKNH-JTQLQIEISA-N -1 0 304.310 -0.104 20 0 DBADRM Cc1nc(SCC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)n[nH]1 ZINC001574181671 1026720108 /nfs/dbraw/zinc/72/01/08/1026720108.db2.gz DJPJMDBUPCXXHF-SFYZADRCSA-N -1 0 315.355 -0.708 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H]2C(=O)NCC[C@H]2C)c1C(=O)[O-] ZINC001574182724 1026720529 /nfs/dbraw/zinc/72/05/29/1026720529.db2.gz RIHMOGQPPBWJOM-XRGYYRRGSA-N -1 0 316.339 -0.781 20 0 DBADRM Cc1ncc(C(=O)[O-])cc1C(=O)N(C)CCS(N)(=O)=O ZINC001574192638 1026722246 /nfs/dbraw/zinc/72/22/46/1026722246.db2.gz NPNAMJMGIBADNY-UHFFFAOYSA-N -1 0 301.324 -0.551 20 0 DBADRM Cc1noc(CCCC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001574197037 1026722717 /nfs/dbraw/zinc/72/27/17/1026722717.db2.gz GMNRHJHZLFNPQK-NXEZZACHSA-N -1 0 312.326 -0.212 20 0 DBADRM Cc1nnc(N2CCC[C@H](NC(=O)[O-])C2)n1Cc1ncn(C)n1 ZINC001574200814 1026723942 /nfs/dbraw/zinc/72/39/42/1026723942.db2.gz QKTWLOXXVJLZOF-JTQLQIEISA-N -1 0 320.357 0.000 20 0 DBADRM Cc1nn(CCS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])c(=O)o1 ZINC001574200527 1026724012 /nfs/dbraw/zinc/72/40/12/1026724012.db2.gz NXCZQUKMTNYHOL-VIFPVBQESA-N -1 0 319.339 -0.586 20 0 DBADRM Cc1nnc(N2CCC[C@@H](NC(=O)[O-])C2)n1CC(=O)N(C)C ZINC001574201099 1026724282 /nfs/dbraw/zinc/72/42/82/1026724282.db2.gz ROZNBRIGRYSHNR-SNVBAGLBSA-N -1 0 310.358 -0.089 20 0 DBADRM Cc1nocc1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC001574205392 1026725188 /nfs/dbraw/zinc/72/51/88/1026725188.db2.gz INZPHWKTAWCEEX-NKWVEPMBSA-N -1 0 305.312 -0.761 20 0 DBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001574204526 1026725355 /nfs/dbraw/zinc/72/53/55/1026725355.db2.gz BPCKSRXYPITGCI-ZETCQYMHSA-N -1 0 302.308 -0.218 20 0 DBADRM Cn1cc(Br)c(CNC(=O)[C@H](O)CC(=O)[O-])n1 ZINC001574211414 1026725798 /nfs/dbraw/zinc/72/57/98/1026725798.db2.gz HVXRFSDCMXATBJ-SSDOTTSWSA-N -1 0 306.116 -0.366 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])c1=O ZINC001574209993 1026726001 /nfs/dbraw/zinc/72/60/01/1026726001.db2.gz UTZPHVGQWHFDJZ-SBMIAAHKSA-N -1 0 307.306 -0.989 20 0 DBADRM Cn1c2cc(NC(=O)CNC(=O)[O-])ccc2c(=O)n(C)c1=O ZINC001574209952 1026726279 /nfs/dbraw/zinc/72/62/79/1026726279.db2.gz UHCINLUNIUXKMJ-UHFFFAOYSA-N -1 0 306.278 -0.557 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)N1CCN2C(=O)N=NC2C1 ZINC001574209032 1026726347 /nfs/dbraw/zinc/72/63/47/1026726347.db2.gz MDJXFYWGVGDKHH-UHFFFAOYSA-N -1 0 307.270 -0.537 20 0 DBADRM Cc1onc(CN2CCN3CCOC[C@@]3(CO)C2)c1C(=O)[O-] ZINC001574208258 1026726398 /nfs/dbraw/zinc/72/63/98/1026726398.db2.gz XWNKEZAJKUDXIT-AWEZNQCLSA-N -1 0 311.338 -0.440 20 0 DBADRM Cn1cc(C(=O)CCC(=O)NCc2nc(C(=O)[O-])n[nH]2)cn1 ZINC001574211427 1026726852 /nfs/dbraw/zinc/72/68/52/1026726852.db2.gz IOCZRCINHRGEAM-UHFFFAOYSA-N -1 0 306.282 -0.484 20 0 DBADRM Cn1cc(CCNC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)cn1 ZINC001574212519 1026727928 /nfs/dbraw/zinc/72/79/28/1026727928.db2.gz OOQIDECIZVRKBZ-QWRGUYRKSA-N -1 0 311.342 -0.768 20 0 DBADRM Cn1cc([C@@H](O)C(=O)NCCc2nc(C(=O)[O-])cs2)cn1 ZINC001574212124 1026728071 /nfs/dbraw/zinc/72/80/71/1026728071.db2.gz JORDNULYNQEQJB-SNVBAGLBSA-N -1 0 310.335 -0.033 20 0 DBADRM Cn1cc(C[C@H](CO)NS(=O)(=O)C2(CC(=O)[O-])CC2)cn1 ZINC001574212569 1026728096 /nfs/dbraw/zinc/72/80/96/1026728096.db2.gz PCZCTOKQEFXLQS-SNVBAGLBSA-N -1 0 317.367 -0.750 20 0 DBADRM Cn1cc(CC(=O)N2CCC(C(=O)[O-])([S@@](C)=O)CC2)cn1 ZINC001574212770 1026728198 /nfs/dbraw/zinc/72/81/98/1026728198.db2.gz QLCGAFNNCGHHJG-OAQYLSRUSA-N -1 0 313.379 -0.213 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccncc2)cn1 ZINC001574212090 1026728543 /nfs/dbraw/zinc/72/85/43/1026728543.db2.gz IYCIPYVNGNXHOF-SRVKXCTJSA-N -1 0 320.305 -0.849 20 0 DBADRM Cn1cc(NC(=O)CC2(C(=O)[O-])CCOCC2)c(C(N)=O)n1 ZINC001574213836 1026729070 /nfs/dbraw/zinc/72/90/70/1026729070.db2.gz WNUMKAQICKSVJR-UHFFFAOYSA-N -1 0 310.310 -0.271 20 0 DBADRM Cn1cc(NC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c(C(=O)[O-])c1 ZINC001574220331 1026730333 /nfs/dbraw/zinc/73/03/33/1026730333.db2.gz OKLCWJANRMGIBS-GMSGAONNSA-N -1 0 310.310 -0.122 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001574221042 1026730566 /nfs/dbraw/zinc/73/05/66/1026730566.db2.gz MVLGGNVDWUAPJL-ZDCRXTMVSA-N -1 0 308.338 -0.390 20 0 DBADRM Cn1ccc(CCNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)n1 ZINC001574224999 1026730617 /nfs/dbraw/zinc/73/06/17/1026730617.db2.gz VCQWPEWWHIIWTP-GXSJLCMTSA-N -1 0 311.342 -0.768 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001574221037 1026731082 /nfs/dbraw/zinc/73/10/82/1026731082.db2.gz MVLGGNVDWUAPJL-DBIOUOCHSA-N -1 0 308.338 -0.390 20 0 DBADRM Cn1ccc(CC(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)n1 ZINC001574224975 1026731154 /nfs/dbraw/zinc/73/11/54/1026731154.db2.gz ULENNMRFOVTFRG-STQMWFEESA-N -1 0 304.306 -0.339 20 0 DBADRM Cn1ccn2c(CNC(=O)N3CC[C@@H](C(=O)[O-])C3)nnc2c1=O ZINC001574224105 1026731683 /nfs/dbraw/zinc/73/16/83/1026731683.db2.gz CJUYOVFNWIKUNN-MRVPVSSYSA-N -1 0 320.309 -0.956 20 0 DBADRM Cn1ccnc(NC(=O)N2C[C@H](C(=O)[O-])C3(COC3)C2)c1=O ZINC001574224265 1026731802 /nfs/dbraw/zinc/73/18/02/1026731802.db2.gz GZVKRUZQXXESDG-MRVPVSSYSA-N -1 0 308.294 -0.655 20 0 DBADRM Cn1cnn(CC(=O)Nc2[nH]nc(C(=O)[O-])c2C2CC2)c1=O ZINC001574220635 1026731967 /nfs/dbraw/zinc/73/19/67/1026731967.db2.gz FFLPAAQGVCEXOL-UHFFFAOYSA-N -1 0 306.282 -0.481 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@H](O)C[C@]2(C)CO)cc1C(=O)[O-] ZINC001574220272 1026732035 /nfs/dbraw/zinc/73/20/35/1026732035.db2.gz LYGPWKISEYVULB-PRHODGIISA-N -1 0 318.351 -0.770 20 0 DBADRM Cn1nccc1C1(O)CN(C(=O)C2CCN(C(=O)[O-])CC2)C1 ZINC001574228957 1026732416 /nfs/dbraw/zinc/73/24/16/1026732416.db2.gz RJYVIPYOAYMELQ-UHFFFAOYSA-N -1 0 308.338 -0.160 20 0 DBADRM Cn1ncc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])c1-n1cnnc1 ZINC001574226423 1026732935 /nfs/dbraw/zinc/73/29/35/1026732935.db2.gz FYJSOZMZWTYLDB-JTQLQIEISA-N -1 0 304.310 -0.016 20 0 DBADRM Cn1ncc(CCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)n1 ZINC001574226750 1026733058 /nfs/dbraw/zinc/73/30/58/1026733058.db2.gz RNAYCTZUFLJQAC-STQMWFEESA-N -1 0 319.321 -0.554 20 0 DBADRM Cn1nccc1[C@@H](O)CNC(=O)Nc1ncc(C(=O)[O-])n1C ZINC001574229299 1026733363 /nfs/dbraw/zinc/73/33/63/1026733363.db2.gz YWXUQLQJLSQPGS-VIFPVBQESA-N -1 0 308.298 -0.293 20 0 DBADRM Cn1ncc(C(=O)N2CCC(C(=O)[O-])([S@](C)=O)CC2)n1 ZINC001574226507 1026733667 /nfs/dbraw/zinc/73/36/67/1026733667.db2.gz IFTAPOOOOPZMBE-FQEVSTJZSA-N -1 0 300.340 -0.747 20 0 DBADRM Cn1ncc2cc(C(=O)N[C@@H]3CN(C(=O)[O-])C[C@H]3CO)cnc21 ZINC001574228187 1026734154 /nfs/dbraw/zinc/73/41/54/1026734154.db2.gz HAHAWQIHRUCPCT-WDEREUQCSA-N -1 0 319.321 -0.331 20 0 DBADRM Cn1nncc1C(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001574229236 1026734177 /nfs/dbraw/zinc/73/41/77/1026734177.db2.gz WTVMLOFDXNDNER-FQEVSTJZSA-N -1 0 300.340 -0.747 20 0 DBADRM COc1ccccc1[C@@H](CO)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001574237435 1026735334 /nfs/dbraw/zinc/73/53/34/1026735334.db2.gz SSCVMJSFTHZRGO-LLVKDONJSA-N -1 0 320.305 -0.165 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC001574281036 1026747086 /nfs/dbraw/zinc/74/70/86/1026747086.db2.gz UMKXBFMBIVJMLE-QMMMGPOBSA-N -1 0 305.356 -0.686 20 0 DBADRM NC(=O)C1CN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001574248488 1026736442 /nfs/dbraw/zinc/73/64/42/1026736442.db2.gz KOCPFDAAIYCVHF-UHFFFAOYSA-N -1 0 302.283 -0.370 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)o1 ZINC001574249734 1026736834 /nfs/dbraw/zinc/73/68/34/1026736834.db2.gz ZZUNOKAFMGCCNQ-OCAPTIKFSA-N -1 0 316.335 -0.078 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001574249544 1026737387 /nfs/dbraw/zinc/73/73/87/1026737387.db2.gz YEBNDQHUOZHTSO-GFCCVEGCSA-N -1 0 320.367 -0.840 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC001574281034 1026748088 /nfs/dbraw/zinc/74/80/88/1026748088.db2.gz UMKXBFMBIVJMLE-MRVPVSSYSA-N -1 0 305.356 -0.686 20 0 DBADRM NC(=O)C[C@H]1CCCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001574250228 1026739760 /nfs/dbraw/zinc/73/97/60/1026739760.db2.gz ZDJQCIWXKCPAAA-SECBINFHSA-N -1 0 304.368 -0.089 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)CCNC(=O)Cc1ccccc1 ZINC001574255226 1026739892 /nfs/dbraw/zinc/73/98/92/1026739892.db2.gz ULJSIIJHWSCKPW-UHFFFAOYSA-N -1 0 321.333 -0.866 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)c1ccc(OC(F)F)nc1 ZINC001574255272 1026740175 /nfs/dbraw/zinc/74/01/75/1026740175.db2.gz WCICLHMBINTUSW-UHFFFAOYSA-N -1 0 303.221 -0.305 20 0 DBADRM NC(=O)C[C@@H]1CCCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001574250229 1026740788 /nfs/dbraw/zinc/74/07/88/1026740788.db2.gz ZDJQCIWXKCPAAA-VIFPVBQESA-N -1 0 304.368 -0.089 20 0 DBADRM NC(=O)Cn1cc(CN[C@@]2(C(=O)[O-])CCc3ccccc32)nn1 ZINC001574256723 1026741891 /nfs/dbraw/zinc/74/18/91/1026741891.db2.gz KBPIQFSMWQHWEG-HNNXBMFYSA-N -1 0 315.333 -0.221 20 0 DBADRM NC(=O)c1ccc(CC(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])cn1 ZINC001574259216 1026742294 /nfs/dbraw/zinc/74/22/94/1026742294.db2.gz IPDYZWWPEFOGHG-JQWIXIFHSA-N -1 0 321.333 -0.139 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)O1 ZINC001574256320 1026743061 /nfs/dbraw/zinc/74/30/61/1026743061.db2.gz CIIOQGKQYPUCKK-AXFHLTTASA-N -1 0 308.290 -0.333 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N(CCC(=O)[O-])Cc2cccnc2)O1 ZINC001574257479 1026743339 /nfs/dbraw/zinc/74/33/39/1026743339.db2.gz ZJRWPEHSMCRPFA-NWDGAFQWSA-N -1 0 321.333 -0.082 20 0 DBADRM NC(=O)Cn1cc(NC(=O)CC2(C(=O)[O-])CCOCC2)cn1 ZINC001574256756 1026743408 /nfs/dbraw/zinc/74/34/08/1026743408.db2.gz LWAHXTQNDASTJZ-UHFFFAOYSA-N -1 0 310.310 -0.422 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@H](C(=O)[O-])C3(COC3)C2)o1 ZINC001574279735 1026746427 /nfs/dbraw/zinc/74/64/27/1026746427.db2.gz GWBNRFOITJMFRH-SECBINFHSA-N -1 0 316.335 -0.540 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001574281274 1026746588 /nfs/dbraw/zinc/74/65/88/1026746588.db2.gz ZTANJCNAKSZOQC-DTWKUNHWSA-N -1 0 308.356 -0.806 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001574281273 1026746926 /nfs/dbraw/zinc/74/69/26/1026746926.db2.gz ZTANJCNAKSZOQC-BDAKNGLRSA-N -1 0 308.356 -0.806 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)CC2(C(=O)[O-])CCOCC2)C1 ZINC001574279671 1026747637 /nfs/dbraw/zinc/74/76/37/1026747637.db2.gz DXGCANDVUWZJLH-VIFPVBQESA-N -1 0 320.367 -0.853 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC001574279496 1026748223 /nfs/dbraw/zinc/74/82/23/1026748223.db2.gz DEIJLMULUXWPKA-WCBMZHEXSA-N -1 0 308.356 -0.949 20 0 DBADRM Nc1ncn(CC(=O)N2CC[C@@H](c3n[nH]cc3C(=O)[O-])C2)n1 ZINC001574291179 1026749448 /nfs/dbraw/zinc/74/94/48/1026749448.db2.gz CJDAUSFQYWKVOR-SSDOTTSWSA-N -1 0 305.298 -0.702 20 0 DBADRM C[C@H](NC(=O)c1c2c(nn1C)CCS(=O)(=O)C2)C(=O)[O-] ZINC001574288186 1026750150 /nfs/dbraw/zinc/75/01/50/1026750150.db2.gz KBOKYGXWAHDLIL-LURJTMIESA-N -1 0 301.324 -0.906 20 0 DBADRM Nc1n[nH]c(CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])n1 ZINC001574292234 1026750853 /nfs/dbraw/zinc/75/08/53/1026750853.db2.gz XUUBVPGXQMRWAH-SNVBAGLBSA-N -1 0 318.337 -0.076 20 0 DBADRM Nc1ncc(S(=O)(=O)N(CCC(=O)[O-])CC2CC2)cn1 ZINC001574291253 1026751128 /nfs/dbraw/zinc/75/11/28/1026751128.db2.gz DUWHUJYORWKZKG-UHFFFAOYSA-N -1 0 300.340 -0.066 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)C[C@@H]2C=CS(=O)(=O)C2)C1 ZINC001574293076 1026751475 /nfs/dbraw/zinc/75/14/75/1026751475.db2.gz SPHOWCKORDPFKS-GUBZILKMSA-N -1 0 318.351 -0.978 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@@H]1CCNC1=O)[C@@H](O)c1cccnc1 ZINC001574293587 1026752091 /nfs/dbraw/zinc/75/20/91/1026752091.db2.gz LKARGSZEVUPIEF-UWJYBYFXSA-N -1 0 307.306 -0.789 20 0 DBADRM O=C(CN1CCCS1(=O)=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001574299990 1026752472 /nfs/dbraw/zinc/75/24/72/1026752472.db2.gz ZMQNEEPGARLGKJ-VHSXEESVSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCn1ccnc1)[C@H](O)c1cccnc1 ZINC001574299504 1026753436 /nfs/dbraw/zinc/75/34/36/1026753436.db2.gz LWMCDXGSHYXOOR-CHWSQXEVSA-N -1 0 304.306 -0.029 20 0 DBADRM CC(C)OC(=O)CCNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001574297530 1026753670 /nfs/dbraw/zinc/75/36/70/1026753670.db2.gz YJZJHRIHLSTKKH-UHFFFAOYSA-N -1 0 323.313 -0.580 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCOCC1)[C@H](O)c1cccnc1 ZINC001574300103 1026753755 /nfs/dbraw/zinc/75/37/55/1026753755.db2.gz AFTVSBFOBQUZHE-CHWSQXEVSA-N -1 0 309.322 -0.983 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@@H]1CCNC1=O)[C@H](O)c1cccnc1 ZINC001574293588 1026753901 /nfs/dbraw/zinc/75/39/01/1026753901.db2.gz LKARGSZEVUPIEF-XXILOJSOSA-N -1 0 307.306 -0.789 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCn1ccnn1)[C@@H](O)c1cccnc1 ZINC001574299898 1026754091 /nfs/dbraw/zinc/75/40/91/1026754091.db2.gz VYAJITYBUPKYPV-NEPJUHHUSA-N -1 0 305.294 -0.634 20 0 DBADRM O=C(CNC(=O)CC1CCCC1)NCc1nc(C(=O)[O-])n[nH]1 ZINC001574300179 1026754480 /nfs/dbraw/zinc/75/44/80/1026754480.db2.gz FKZSXMURPPYSMN-UHFFFAOYSA-N -1 0 309.326 -0.184 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)Cc2nnc(C3CC3)[nH]2)C1 ZINC001574301630 1026754732 /nfs/dbraw/zinc/75/47/32/1026754732.db2.gz DNBVQABTKFUIGK-RKDXNWHRSA-N -1 0 309.326 -0.689 20 0 DBADRM O=C([O-])[C@H](NC(=O)CN1CCOC1=O)[C@H](O)c1ccncc1 ZINC001574300151 1026755270 /nfs/dbraw/zinc/75/52/70/1026755270.db2.gz DSLHESDYVIZNIN-GHMZBOCLSA-N -1 0 309.278 -0.863 20 0 DBADRM O=C([O-])c1nc2ccccn2c1NC(=O)NCC(=O)NCCO ZINC001574300496 1026755413 /nfs/dbraw/zinc/75/54/13/1026755413.db2.gz MYFFQYPCBKMICY-UHFFFAOYSA-N -1 0 321.293 -0.738 20 0 DBADRM O=C([O-])[C@H](NC(=O)CNCC(F)(F)F)[C@@H](O)c1ccncc1 ZINC001574300704 1026755515 /nfs/dbraw/zinc/75/55/15/1026755515.db2.gz VSWRPUJVINNGSO-ZJUUUORDSA-N -1 0 321.255 -0.164 20 0 DBADRM O=C([O-])[C@@](NC(=O)Cn1ncnn1)(C1CCC1)C(F)(F)F ZINC001574301710 1026755799 /nfs/dbraw/zinc/75/57/99/1026755799.db2.gz HWHMDGJMZKJHNH-VIFPVBQESA-N -1 0 307.232 -0.025 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)Cc1ccccc1O[C@@H]1CCOC1 ZINC001574302878 1026755998 /nfs/dbraw/zinc/75/59/98/1026755998.db2.gz RNKGHASZSMIZHP-VXGBXAGGSA-N -1 0 309.318 -0.042 20 0 DBADRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)c1cccn2nnnc12 ZINC001574309692 1026756960 /nfs/dbraw/zinc/75/69/60/1026756960.db2.gz ZFTKYQYCFYVSER-WCBMZHEXSA-N -1 0 305.294 -0.124 20 0 DBADRM CC(C)OCC(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001574306891 1026757031 /nfs/dbraw/zinc/75/70/31/1026757031.db2.gz YQJIBZMLAFPHMO-UHFFFAOYSA-N -1 0 320.357 -0.626 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc(Cn2ccccc2=O)o1 ZINC001574309789 1026757535 /nfs/dbraw/zinc/75/75/35/1026757535.db2.gz ZWZXBQCVGGNUII-JTQLQIEISA-N -1 0 306.274 -0.335 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)c1ccncc1NC(=O)C(F)(F)F ZINC001574308651 1026757837 /nfs/dbraw/zinc/75/78/37/1026757837.db2.gz NKNPCDGITRSGKU-SSDOTTSWSA-N -1 0 321.211 -0.242 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001574312191 1026758762 /nfs/dbraw/zinc/75/87/62/1026758762.db2.gz XBYNTCMWLDTTOA-HLUHBDAQSA-N -1 0 308.338 -0.399 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001574311268 1026758825 /nfs/dbraw/zinc/75/88/25/1026758825.db2.gz FZHDKZPSNQTXNZ-JOYOIKCWSA-N -1 0 321.333 -0.024 20 0 DBADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC3(C2)NC(=O)NC3=O)c1 ZINC001574315033 1026758986 /nfs/dbraw/zinc/75/89/86/1026758986.db2.gz HIESJURUNMNMGH-UHFFFAOYSA-N -1 0 303.274 -0.273 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2cnn3ncccc23)[C@@H](CO)C1 ZINC001574311919 1026759625 /nfs/dbraw/zinc/75/96/25/1026759625.db2.gz QQHVBYHNDUPFSJ-SCZZXKLOSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)[C@@H](CO)C1 ZINC001574311534 1026759632 /nfs/dbraw/zinc/75/96/32/1026759632.db2.gz JUUOZGWHDVCPJV-BDAKNGLRSA-N -1 0 321.293 -0.865 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)CCC1 ZINC001574322124 1026760623 /nfs/dbraw/zinc/76/06/23/1026760623.db2.gz LQEIGLJUYCLTFX-WDEREUQCSA-N -1 0 320.349 -0.213 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)NCC[C@]2(O)CCOC2)CCCOC1 ZINC001574319286 1026760928 /nfs/dbraw/zinc/76/09/28/1026760928.db2.gz KONDOLXMQLLFSY-KBPBESRZSA-N -1 0 316.354 -0.292 20 0 DBADRM O=C([O-])C1CCC(NC(=O)NC[C@H](O)Cn2ccnn2)CC1 ZINC001574321961 1026761184 /nfs/dbraw/zinc/76/11/84/1026761184.db2.gz JCUWZENMDLFNSD-ILDUYXDCSA-N -1 0 311.342 -0.418 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)NC[C@@H]2CCCCO2)[C@@H](CO)C1 ZINC001574318937 1026761259 /nfs/dbraw/zinc/76/12/59/1026761259.db2.gz CRTWNSQBIIMPGG-VWYCJHECSA-N -1 0 301.343 -0.175 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)NC[C@]2(OCCO)CCOC2)C1 ZINC001574322417 1026761330 /nfs/dbraw/zinc/76/13/30/1026761330.db2.gz QFROXASOZCZKHL-SMDDNHRTSA-N -1 0 314.338 -0.373 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)NCCC2(O)CCC2)[C@@H](CO)C1 ZINC001574319483 1026761416 /nfs/dbraw/zinc/76/14/16/1026761416.db2.gz MADRLBURQQHEPQ-ZJUUUORDSA-N -1 0 301.343 -0.439 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)NCCc2cnccn2)C1 ZINC001574323550 1026761847 /nfs/dbraw/zinc/76/18/47/1026761847.db2.gz FNIHTPWVJMJPCR-MWLCHTKSSA-N -1 0 309.326 -0.711 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NCC1N=NC(=O)N1C1CC1 ZINC001574331307 1026763120 /nfs/dbraw/zinc/76/31/20/1026763120.db2.gz ZATTVCRCXJBCHG-ZETCQYMHSA-N -1 0 313.339 -0.012 20 0 DBADRM O=C([O-])[C@H](F)C1CN(C(=O)NCc2nnnn2CC2CC2)C1 ZINC001574345496 1026763200 /nfs/dbraw/zinc/76/32/00/1026763200.db2.gz NAEILOKHJKFQBN-SNVBAGLBSA-N -1 0 312.305 -0.353 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)Nc2n[nH]nc2C(=O)NC2CC2)C1 ZINC001574338767 1026764003 /nfs/dbraw/zinc/76/40/03/1026764003.db2.gz OTUWCPUOEPCYSN-QMMMGPOBSA-N -1 0 320.309 -0.008 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC001574344432 1026765063 /nfs/dbraw/zinc/76/50/63/1026765063.db2.gz BFCMRCLZBQOGNW-VKHMYHEASA-N -1 0 303.218 -0.848 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N[C@H](CO)[C@H]2CCCOC2)CCC1 ZINC001574352886 1026765861 /nfs/dbraw/zinc/76/58/61/1026765861.db2.gz KTMSUTSMFIMXBX-VHSXEESVSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N[C@@H](CO)[C@@H]2CCCOC2)CCC1 ZINC001574352887 1026766562 /nfs/dbraw/zinc/76/65/62/1026766562.db2.gz KTMSUTSMFIMXBX-ZJUUUORDSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001574355399 1026767057 /nfs/dbraw/zinc/76/70/57/1026767057.db2.gz BKNXARCMNAMDQF-RCWTZXSCSA-N -1 0 320.367 -0.826 20 0 DBADRM O=C([O-])[C@@H]1CSCCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001574356168 1026768441 /nfs/dbraw/zinc/76/84/41/1026768441.db2.gz BVJXAGCHHTUHMA-VIFPVBQESA-N -1 0 320.334 -0.096 20 0 DBADRM O=C([O-])C[C@H](CO)NC(=O)c1ncc(Br)cn1 ZINC001574357621 1026768707 /nfs/dbraw/zinc/76/87/07/1026768707.db2.gz QGJWODQXDXUWFN-ZCFIWIBFSA-N -1 0 304.100 -0.196 20 0 DBADRM O=C([O-])C[C@@H](CO)NC(=O)Cn1ncc(=O)c2ccccc21 ZINC001574357952 1026769433 /nfs/dbraw/zinc/76/94/33/1026769433.db2.gz SKCILUIKKRFNGA-VIFPVBQESA-N -1 0 305.290 -0.652 20 0 DBADRM O=C([O-])[C@@H]1CSCN1S(=O)(=O)CCN1CCOC1=O ZINC001574356459 1026769512 /nfs/dbraw/zinc/76/95/12/1026769512.db2.gz HFLOJLFZFTZACV-ZETCQYMHSA-N -1 0 310.353 -0.772 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCc1cnc2n1CCC2 ZINC001574355855 1026769638 /nfs/dbraw/zinc/76/96/38/1026769638.db2.gz PNRRGQVBHIRYBT-JTQLQIEISA-N -1 0 314.367 -0.287 20 0 DBADRM O=C([O-])C[C@H](NC(=O)CN1CCC(=O)NC1=O)c1ccncc1 ZINC001574358816 1026769666 /nfs/dbraw/zinc/76/96/66/1026769666.db2.gz ZDBJPJIXLFJKRX-JTQLQIEISA-N -1 0 320.305 -0.345 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)N1C[C@@H](CO)[C@H](CO)C1)C(F)(F)F ZINC001574358721 1026769882 /nfs/dbraw/zinc/76/98/82/1026769882.db2.gz XKXNKZNYUIRNKL-BIIVOSGPSA-N -1 0 314.260 -0.366 20 0 DBADRM O=C([O-])C[C@H](O)CN1C(=O)N2CCCC[C@H]2CS1(=O)=O ZINC001574364685 1026770568 /nfs/dbraw/zinc/77/05/68/1026770568.db2.gz HKWYSOLBEIWSKQ-IUCAKERBSA-N -1 0 306.340 -0.558 20 0 DBADRM O=C([O-])CC1(NC(=O)CNC(=O)OCC(F)(F)F)COC1 ZINC001574364678 1026770694 /nfs/dbraw/zinc/77/06/94/1026770694.db2.gz HGXKJYKTKLCPAT-UHFFFAOYSA-N -1 0 314.216 -0.365 20 0 DBADRM O=C([O-])CC1(NS(=O)(=O)c2cnn3c2OCCC3)COC1 ZINC001574364859 1026771110 /nfs/dbraw/zinc/77/11/10/1026771110.db2.gz JTPXLSBVRDIDJN-UHFFFAOYSA-N -1 0 317.323 -0.812 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001574362181 1026771414 /nfs/dbraw/zinc/77/14/14/1026771414.db2.gz KNOSLVBRHZSQIT-BQBZGAKWSA-N -1 0 312.244 -0.651 20 0 DBADRM O=C([O-])CC1(S(=O)(=O)NCCS(=O)(=O)C2CC2)CC1 ZINC001574365151 1026772419 /nfs/dbraw/zinc/77/24/19/1026772419.db2.gz OKIDYMXUCSDHFE-UHFFFAOYSA-N -1 0 311.381 -0.510 20 0 DBADRM O=C([O-])CCS(=O)(=O)N1CC2(C1)CC(=O)Nc1nccn12 ZINC001574368075 1026772981 /nfs/dbraw/zinc/77/29/81/1026772981.db2.gz JHRHGALOKYECKU-UHFFFAOYSA-N -1 0 314.323 -0.959 20 0 DBADRM O=C([O-])CCS(=O)(=O)NCc1nc([C@H]2CCOC2)n[nH]1 ZINC001574368572 1026773153 /nfs/dbraw/zinc/77/31/53/1026773153.db2.gz VHSRDQSYNMJHIO-ZETCQYMHSA-N -1 0 304.328 -0.797 20 0 DBADRM O=C([O-])CC1(NC(=O)c2ccn(CCn3cccn3)n2)COC1 ZINC001574365354 1026773512 /nfs/dbraw/zinc/77/35/12/1026773512.db2.gz VYIIKXSTPPIBLP-UHFFFAOYSA-N -1 0 319.321 -0.247 20 0 DBADRM O=C([O-])CCNC(=O)[C@H](CO)NC(=O)OCc1ccccc1 ZINC001574368048 1026773550 /nfs/dbraw/zinc/77/35/50/1026773550.db2.gz IJMOMTMRSHTHNK-NSHDSACASA-N -1 0 310.306 -0.135 20 0 DBADRM O=C([O-])C[C@@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)c1ccccc1 ZINC001574372030 1026774103 /nfs/dbraw/zinc/77/41/03/1026774103.db2.gz NBMCVJCIMPNVAN-IJLUTSLNSA-N -1 0 315.347 -0.119 20 0 DBADRM O=C([O-])N1CCN(S(=O)(=O)c2c[nH]c3ncncc23)CC1 ZINC001574377830 1026774710 /nfs/dbraw/zinc/77/47/10/1026774710.db2.gz ZBVZKIUWRVECMA-UHFFFAOYSA-N -1 0 311.323 -0.106 20 0 DBADRM O=C([O-])N1CCN(S(=O)(=O)NC2(c3ncon3)CC2)CC1 ZINC001574376680 1026774845 /nfs/dbraw/zinc/77/48/45/1026774845.db2.gz ILWDHHURYNHQCA-UHFFFAOYSA-N -1 0 317.327 -0.811 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)N2CC[C@@H](C3OCCO3)C2)n1 ZINC001574375541 1026774898 /nfs/dbraw/zinc/77/48/98/1026774898.db2.gz QLJYEWIVOFUICL-MRVPVSSYSA-N -1 0 311.298 -0.411 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NS(=O)(=O)c2cncc(F)c2)C1 ZINC001574377178 1026774960 /nfs/dbraw/zinc/77/49/60/1026774960.db2.gz NXBMEYUFGOSNNE-GMSGAONNSA-N -1 0 319.314 -0.530 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2C[C@H](CO)[C@@H](CCO)C2)n1 ZINC001574375175 1026775026 /nfs/dbraw/zinc/77/50/26/1026775026.db2.gz HUVOPBWIBRWXIP-VHSXEESVSA-N -1 0 312.326 -0.578 20 0 DBADRM O=C([O-])N1C[C@H](NS(=O)(=O)c2cncc(F)c2)[C@@H](CO)C1 ZINC001574377180 1026775573 /nfs/dbraw/zinc/77/55/73/1026775573.db2.gz NXBMEYUFGOSNNE-XCBNKYQSSA-N -1 0 319.314 -0.530 20 0 DBADRM O=C([O-])Cc1nnc(NC(=O)NC[C@@H]2CCCNC2=O)s1 ZINC001574375119 1026775619 /nfs/dbraw/zinc/77/56/19/1026775619.db2.gz FSFLNQLSZMRHKP-LURJTMIESA-N -1 0 313.339 -0.187 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)n1 ZINC001574375762 1026775679 /nfs/dbraw/zinc/77/56/79/1026775679.db2.gz ZSZWCYKKJDLCLZ-ZETCQYMHSA-N -1 0 306.282 -0.534 20 0 DBADRM O=C([O-])N1CCN(S(=O)(=O)N2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC001574377170 1026775740 /nfs/dbraw/zinc/77/57/40/1026775740.db2.gz NSNCLDHHFHXVCL-MNOVXSKESA-N -1 0 319.383 -0.362 20 0 DBADRM O=C([O-])Cc1nnc(NC(=O)N2CC[C@@H](O)[C@H](CO)C2)s1 ZINC001574375152 1026775884 /nfs/dbraw/zinc/77/58/84/1026775884.db2.gz HEDQJWNGFRXDEV-NKWVEPMBSA-N -1 0 316.339 -0.628 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)n1 ZINC001574375761 1026776082 /nfs/dbraw/zinc/77/60/82/1026776082.db2.gz ZSZWCYKKJDLCLZ-SSDOTTSWSA-N -1 0 306.282 -0.534 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)c3cn(C(F)(F)CO)nn3)C[C@@H]21 ZINC001574400582 1026776639 /nfs/dbraw/zinc/77/66/39/1026776639.db2.gz YWTAXALAEXCICS-BKPPORCPSA-N -1 0 316.264 -0.388 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1CN1CCN(C[C@H]2CCCS2(=O)=O)CC1 ZINC001574395339 1026776836 /nfs/dbraw/zinc/77/68/36/1026776836.db2.gz BPTUVQNKKXNHAJ-YNEHKIRRSA-N -1 0 316.423 -0.098 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)NCc3nnnn3C3CC3)C[C@@H]21 ZINC001574400139 1026778325 /nfs/dbraw/zinc/77/83/25/1026778325.db2.gz CBZWEPNLJAAFLY-WCABBAIRSA-N -1 0 306.326 -0.130 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCN1CCOC1=O ZINC001574385759 1026778642 /nfs/dbraw/zinc/77/86/42/1026778642.db2.gz NTFQWXDWFOBAHB-BDAKNGLRSA-N -1 0 306.340 -0.389 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001574393894 1026779154 /nfs/dbraw/zinc/77/91/54/1026779154.db2.gz GHKCKENSOQNNRH-IVZWLZJFSA-N -1 0 316.321 -0.460 20 0 DBADRM O=C([O-])c1cc(CNC(=O)C2CCS(=O)(=O)CC2)on1 ZINC001574409244 1026779788 /nfs/dbraw/zinc/77/97/88/1026779788.db2.gz VOGOACPWQFWXFK-UHFFFAOYSA-N -1 0 302.308 -0.186 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@H](CO)[C@H](CO)C2)cc1 ZINC001574415754 1026780215 /nfs/dbraw/zinc/78/02/15/1026780215.db2.gz XDKFEFRRSVKIDN-PHIMTYICSA-N -1 0 315.347 -0.394 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CC(C3CS(=O)(=O)C3)C2)on1 ZINC001574406241 1026780396 /nfs/dbraw/zinc/78/03/96/1026780396.db2.gz WBWHCTRPODMTKU-UHFFFAOYSA-N -1 0 300.292 -0.511 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@H]2CCC3N=NC(=O)N3C2)cn1 ZINC001574415351 1026780538 /nfs/dbraw/zinc/78/05/38/1026780538.db2.gz QNQZFYDYRXWNPW-QMMMGPOBSA-N -1 0 320.309 -0.743 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@H]2CCCS(=O)(=O)C2)on1 ZINC001574408685 1026780703 /nfs/dbraw/zinc/78/07/03/1026780703.db2.gz NCRFMNVLKJHQMF-SSDOTTSWSA-N -1 0 302.308 -0.073 20 0 DBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c1 ZINC001574412514 1026780820 /nfs/dbraw/zinc/78/08/20/1026780820.db2.gz DEHKGNWEOFCAKT-NXEZZACHSA-N -1 0 305.283 -0.438 20 0 DBADRM O=C([O-])c1cc(CNS(=O)(=O)CCN2CCOC2=O)on1 ZINC001574409277 1026780836 /nfs/dbraw/zinc/78/08/36/1026780836.db2.gz WKABMLUXKGXZEB-UHFFFAOYSA-N -1 0 319.295 -0.756 20 0 DBADRM O=C([O-])c1cc(CS(=O)(=O)N[C@H](CO)[C@H]2CCOC2)on1 ZINC001574409369 1026781002 /nfs/dbraw/zinc/78/10/02/1026781002.db2.gz YJWFHFDHCXWDCK-OIBJUYFYSA-N -1 0 320.323 -0.810 20 0 DBADRM O=C([O-])c1c[nH]nc1[C@H]1CCN(C(=O)c2cnn(CCO)c2)C1 ZINC001574414881 1026781016 /nfs/dbraw/zinc/78/10/16/1026781016.db2.gz HVEIPESVXCNXKE-VIFPVBQESA-N -1 0 319.321 -0.074 20 0 DBADRM O=C([O-])c1nc[nH]c1CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001574405229 1026781198 /nfs/dbraw/zinc/78/11/98/1026781198.db2.gz AWZMEENPZPREMT-QMMMGPOBSA-N -1 0 301.324 -0.309 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@H]1CCn2ccnc2C1 ZINC001574417248 1026782001 /nfs/dbraw/zinc/78/20/01/1026782001.db2.gz GSGIYEHPZULVMU-ZETCQYMHSA-N -1 0 311.323 -0.402 20 0 DBADRM O=C([O-])c1c[nH]nc1[C@H]1CCN(C(=O)C2(O)CCOCC2)C1 ZINC001574415962 1026783090 /nfs/dbraw/zinc/78/30/90/1026783090.db2.gz ZYHIILUOHCZHON-VIFPVBQESA-N -1 0 309.322 -0.035 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)n1 ZINC001574422705 1026783217 /nfs/dbraw/zinc/78/32/17/1026783217.db2.gz KXBUPEKCNDVRKL-QMMMGPOBSA-N -1 0 307.310 -0.480 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCO[C@@H](C(F)F)C1 ZINC001574418074 1026783254 /nfs/dbraw/zinc/78/32/54/1026783254.db2.gz ULLXYMJZXVZPBP-ZCFIWIBFSA-N -1 0 311.266 -0.238 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCC[C@H]1C1OCCO1 ZINC001574416871 1026783271 /nfs/dbraw/zinc/78/32/71/1026783271.db2.gz BBMWUKYKGUNOSR-QMMMGPOBSA-N -1 0 317.323 -0.366 20 0 DBADRM O=C([O-])c1cnn2c1nccc2C(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC001574418412 1026783342 /nfs/dbraw/zinc/78/33/42/1026783342.db2.gz XYNQWGDNFMOORE-IUCAKERBSA-N -1 0 320.305 -0.900 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@H]1CCCN(CCF)C1 ZINC001574418397 1026783685 /nfs/dbraw/zinc/78/36/85/1026783685.db2.gz WWJGLJFUAGAKMH-QMMMGPOBSA-N -1 0 320.346 -0.180 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001574417541 1026783842 /nfs/dbraw/zinc/78/38/42/1026783842.db2.gz LNXVKGARTCJACL-HRDYMLBCSA-N -1 0 315.351 -0.111 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC001574417272 1026783874 /nfs/dbraw/zinc/78/38/74/1026783874.db2.gz IIXNSAYNQISYJR-ZCFIWIBFSA-N -1 0 314.323 -0.851 20 0 DBADRM O=C([O-])c1cnn(C2CCN(C(=O)[C@]3(O)CCOC3)CC2)c1 ZINC001574418389 1026784081 /nfs/dbraw/zinc/78/40/81/1026784081.db2.gz WRCJLFPUUUQPDK-AWEZNQCLSA-N -1 0 309.322 -0.104 20 0 DBADRM O=C([O-])[C@H](NC(=O)C[C@H]1CCC(=O)NC1)[C@H](O)c1ccncc1 ZINC001574430660 1026784411 /nfs/dbraw/zinc/78/44/11/1026784411.db2.gz KKLRCVNBDZPVDJ-OWYVNGRQSA-N -1 0 321.333 -0.399 20 0 DBADRM O=C([O-])[C@@H](NC(=O)C[C@H]1CCC(=O)NC1)[C@H](O)c1cccnc1 ZINC001574430920 1026784607 /nfs/dbraw/zinc/78/46/07/1026784607.db2.gz OVHQTCCIURQCIK-BIGNPOOSSA-N -1 0 321.333 -0.399 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)C1 ZINC001574430868 1026784708 /nfs/dbraw/zinc/78/47/08/1026784708.db2.gz NFTLQKFGCGHRNX-OPRDCNLKSA-N -1 0 312.326 -0.962 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CC2(C1)CC(=O)Nc1nccn12 ZINC001574430738 1026785399 /nfs/dbraw/zinc/78/53/99/1026785399.db2.gz MLPSISYTPWQLQA-DTWKUNHWSA-N -1 0 304.306 -0.126 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1 ZINC001574430446 1026785410 /nfs/dbraw/zinc/78/54/10/1026785410.db2.gz GFVIJISQODOCLZ-VIFPVBQESA-N -1 0 317.301 -0.085 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@@H]1CCCN1C(=O)C[C@H]1CCNC1=O ZINC001574423818 1026785426 /nfs/dbraw/zinc/78/54/26/1026785426.db2.gz XFURXHJNPLMKJL-SFYZADRCSA-N -1 0 307.310 -0.307 20 0 DBADRM O=C([O-])c1noc(CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)n1 ZINC001574430208 1026785530 /nfs/dbraw/zinc/78/55/30/1026785530.db2.gz YLYPCDLNRVAXMF-JGVFFNPUSA-N -1 0 301.324 -0.366 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)c2cc3c(cc2O)OCO3)n1 ZINC001574423767 1026785707 /nfs/dbraw/zinc/78/57/07/1026785707.db2.gz ZXNHQSCGZWZXJB-UHFFFAOYSA-N -1 0 306.234 -0.133 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N[C@H]1CCNC(=O)CC1 ZINC001574430468 1026785779 /nfs/dbraw/zinc/78/57/79/1026785779.db2.gz GXPOVEDKHCDGOH-RKDXNWHRSA-N -1 0 305.356 -0.962 20 0 DBADRM Cc1ncc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(C)n1 ZINC001574426845 1026785893 /nfs/dbraw/zinc/78/58/93/1026785893.db2.gz OSRZIMADYPBRHG-JTQLQIEISA-N -1 0 313.335 -0.583 20 0 DBADRM O=C([O-])c1noc(CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)n1 ZINC001574430210 1026786127 /nfs/dbraw/zinc/78/61/27/1026786127.db2.gz YLYPCDLNRVAXMF-YUMQZZPRSA-N -1 0 301.324 -0.366 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001574446542 1026789645 /nfs/dbraw/zinc/78/96/45/1026789645.db2.gz REHNYGQXFMDQEM-CPCISQLKSA-N -1 0 317.323 -0.713 20 0 DBADRM Cn1cc(/C=C\C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cn1 ZINC001574458212 1026791674 /nfs/dbraw/zinc/79/16/74/1026791674.db2.gz NTCDMNNXIVQTHH-MXQLGCADSA-N -1 0 313.335 -0.857 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001574507929 1026792507 /nfs/dbraw/zinc/79/25/07/1026792507.db2.gz PZNFKCJQLUJTDO-LBPRGKRZSA-N -1 0 302.352 -0.265 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccnc(C(=O)[O-])c2)C1 ZINC001574506482 1026793570 /nfs/dbraw/zinc/79/35/70/1026793570.db2.gz AFCFTCRRGRLEPN-QMMMGPOBSA-N -1 0 314.323 -0.326 20 0 DBADRM NS(=O)(=O)C[C@H]1CC[C@@H](NC(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC001574507581 1026793735 /nfs/dbraw/zinc/79/37/35/1026793735.db2.gz OWKVDBIWBHIHQL-SFGNSQDASA-N -1 0 304.368 -0.329 20 0 DBADRM O=C([O-])c1c[nH]nc1NC(=O)CCN1C(=O)CCNC1=S ZINC001574521936 1026794320 /nfs/dbraw/zinc/79/43/20/1026794320.db2.gz OGGHHCJAVAQOMK-UHFFFAOYSA-N -1 0 311.323 -0.457 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001574565384 1026795561 /nfs/dbraw/zinc/79/55/61/1026795561.db2.gz KHRMHPBXMSMQEZ-MRVPVSSYSA-N -1 0 315.351 -0.133 20 0 DBADRM CNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](O)C(=O)[O-])c1 ZINC001574565383 1026795876 /nfs/dbraw/zinc/79/58/76/1026795876.db2.gz KGVYDEDCCXHCRI-JTQLQIEISA-N -1 0 316.335 -0.922 20 0 DBADRM O=C([O-])C1(CNC(=O)NCc2nnc3n2CCNC3=O)CCC1 ZINC001574580596 1026796092 /nfs/dbraw/zinc/79/60/92/1026796092.db2.gz UPCCQJFXMFDWIP-UHFFFAOYSA-N -1 0 322.325 -0.924 20 0 DBADRM O=C(NC[C@]1(OCCO)CCOC1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001574563979 1026796153 /nfs/dbraw/zinc/79/61/53/1026796153.db2.gz DOZKFMNQMAZQCS-GBIKHYSHSA-N -1 0 302.327 -0.683 20 0 DBADRM O=C([O-])[C@]1(C(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)CCCO1 ZINC001574626085 1026797493 /nfs/dbraw/zinc/79/74/93/1026797493.db2.gz FVDSIKUTCCJXJN-COPLHBTASA-N -1 0 310.306 -0.774 20 0 DBADRM COc1ccc(N2C[C@H](C(=O)NC[C@H](O)C(=O)[O-])CC2=O)cc1 ZINC001574627136 1026798653 /nfs/dbraw/zinc/79/86/53/1026798653.db2.gz UKZYVVZEYGQTMQ-SKDRFNHKSA-N -1 0 322.317 -0.390 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCN(Cc3cn[nH]c3)CC2)C1 ZINC001574640011 1026800204 /nfs/dbraw/zinc/80/02/04/1026800204.db2.gz HDGMBBFNLKCTSG-LLVKDONJSA-N -1 0 307.310 -0.717 20 0 DBADRM CS(=O)(=O)CC1(C(=O)Nc2cc(C(=O)[O-])n[nH]2)COC1 ZINC001574643202 1026800611 /nfs/dbraw/zinc/80/06/11/1026800611.db2.gz WXJLHBSAHWBIFH-UHFFFAOYSA-N -1 0 303.296 -0.892 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1c[nH]c(C2CC2)n1 ZINC001574669578 1026802278 /nfs/dbraw/zinc/80/22/78/1026802278.db2.gz UWEYCWZBMWPUJV-VIFPVBQESA-N -1 0 313.335 -0.389 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2C[C@@H]3[C@H](O)CC[C@@H]3C2)C1=O ZINC001574719757 1026803217 /nfs/dbraw/zinc/80/32/17/1026803217.db2.gz NFSAWEPMHDYBNF-NOOOWODRSA-N -1 0 310.350 -0.461 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2c(C)onc2N)C1 ZINC000577507501 412490861 /nfs/dbraw/zinc/49/08/61/412490861.db2.gz FJRATMMSRBZSRH-LLVKDONJSA-N -1 0 319.339 -0.323 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1c(N)noc1C ZINC000577507837 412491457 /nfs/dbraw/zinc/49/14/57/412491457.db2.gz ZCMCTHHVOCWDPK-SNVBAGLBSA-N -1 0 307.328 -0.277 20 0 DBADRM CSCC[C@H](NS(=O)(=O)c1c(C)onc1N)C(=O)[O-] ZINC000571050413 412496004 /nfs/dbraw/zinc/49/60/04/412496004.db2.gz JEFCIUKBQYMNHI-LURJTMIESA-N -1 0 309.369 0.050 20 0 DBADRM COC(=O)c1csc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000274926150 536852470 /nfs/dbraw/zinc/85/24/70/536852470.db2.gz NYOIXOWSEPOFET-LURJTMIESA-N -1 0 309.321 -0.742 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000420571615 529879329 /nfs/dbraw/zinc/87/93/29/529879329.db2.gz YASOJWBIWKQYKC-SECBINFHSA-N -1 0 311.338 -0.811 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000450649590 530022952 /nfs/dbraw/zinc/02/29/52/530022952.db2.gz JLKXIBJLWSUOEP-UHFFFAOYSA-N -1 0 301.324 -0.413 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)NC[C@H](OC)C(=O)[O-])c1 ZINC000427792810 530034218 /nfs/dbraw/zinc/03/42/18/530034218.db2.gz AUBHPSXLIBKOOS-JTQLQIEISA-N -1 0 316.335 -0.576 20 0 DBADRM CN1CCN(C)[C@@H](CNS(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000442948965 266132845 /nfs/dbraw/zinc/13/28/45/266132845.db2.gz ICACSHRWLFMQAV-QMMMGPOBSA-N -1 0 304.338 -0.782 20 0 DBADRM COC[C@](C)([N-]S(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)OC ZINC000340909127 293258670 /nfs/dbraw/zinc/25/86/70/293258670.db2.gz APBOKXMDLRTGIP-KCJUWKMLSA-N -1 0 311.356 -0.707 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1[C@@H](C)SC[C@@H]1C(=O)[O-] ZINC000582669695 412527177 /nfs/dbraw/zinc/52/71/77/412527177.db2.gz CFVJBDGTXFPXSZ-PHDIDXHHSA-N -1 0 307.353 0.102 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000571808578 412530236 /nfs/dbraw/zinc/53/02/36/412530236.db2.gz HYQGDKQJIZDVTF-JGVFFNPUSA-N -1 0 319.339 -0.277 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000575320617 412531008 /nfs/dbraw/zinc/53/10/08/412531008.db2.gz AVLCWYDKRHKWCU-RQJHMYQMSA-N -1 0 305.312 -0.667 20 0 DBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)C(=O)[O-] ZINC000263551400 290797257 /nfs/dbraw/zinc/79/72/57/290797257.db2.gz LCNWMPWEYCQPDS-ZETCQYMHSA-N -1 0 322.364 -0.654 20 0 DBADRM Nc1noc(CCNC(=O)c2cccc(OCC(=O)[O-])c2)n1 ZINC000345785082 412541784 /nfs/dbraw/zinc/54/17/84/412541784.db2.gz SXAVIKNHLYLHSV-UHFFFAOYSA-N -1 0 306.278 0.088 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)CCN1CCCS1(=O)=O)C1CC1 ZINC000262632573 295795846 /nfs/dbraw/zinc/79/58/46/295795846.db2.gz OQANNADQXDPREH-VIFPVBQESA-N -1 0 304.368 -0.124 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262397515 291012177 /nfs/dbraw/zinc/01/21/77/291012177.db2.gz JOTUKKYGPIVGGT-UHFFFAOYSA-N -1 0 322.383 -0.041 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000420603397 304054165 /nfs/dbraw/zinc/05/41/65/304054165.db2.gz UYUZZFJFAPNUBE-RYUDHWBXSA-N -1 0 306.318 -0.088 20 0 DBADRM CN(CC(=O)[N-]OC[C@H]1CCOC1)c1ncnc2nc[nH]c21 ZINC000276527574 138095917 /nfs/dbraw/zinc/09/59/17/138095917.db2.gz YKHKWMBIZWCLSZ-VIFPVBQESA-N -1 0 306.326 -0.127 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)[N-]CC(F)(F)F ZINC000341955515 138117314 /nfs/dbraw/zinc/11/73/14/138117314.db2.gz CAZJJUNDGOHZHT-RITPCOANSA-N -1 0 310.319 -0.594 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000420544832 304054457 /nfs/dbraw/zinc/05/44/57/304054457.db2.gz RBNIPKOQSIKJEB-JTQLQIEISA-N -1 0 319.317 -0.501 20 0 DBADRM Cc1cc(C(=O)N(C)[C@@H]2COC[C@H]2O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000342308827 138122640 /nfs/dbraw/zinc/12/26/40/138122640.db2.gz HFZWWEJAHXFZEX-RKDXNWHRSA-N -1 0 320.305 -0.424 20 0 DBADRM CC(C)[C@H](NC(=O)C(=O)[O-])C(=O)N(C)Cc1nnc2n1CCC2 ZINC000354989401 138138665 /nfs/dbraw/zinc/13/86/65/138138665.db2.gz YSUZDIQKISZLNU-NSHDSACASA-N -1 0 323.353 -0.592 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)[C@H]1COCCN1CC1CCC1 ZINC000356775211 138144536 /nfs/dbraw/zinc/14/45/36/138144536.db2.gz OSCRBJNZIUKGBN-LLVKDONJSA-N -1 0 306.370 -0.194 20 0 DBADRM CCn1cc(CN(CCO)C(=O)c2cnc([O-])n(C)c2=O)cn1 ZINC000357434267 138145240 /nfs/dbraw/zinc/14/52/40/138145240.db2.gz IWPBRYBVRVRVMA-UHFFFAOYSA-N -1 0 321.337 -0.663 20 0 DBADRM COCCN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@@H]1CCOC1 ZINC000357426159 138145441 /nfs/dbraw/zinc/14/54/41/138145441.db2.gz RVZNQNRBGZLFMZ-MRVPVSSYSA-N -1 0 302.356 -0.134 20 0 DBADRM O=C([O-])C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000354984402 138138463 /nfs/dbraw/zinc/13/84/63/138138463.db2.gz PJKVCDHOSVCYFO-MRVPVSSYSA-N -1 0 318.376 -0.041 20 0 DBADRM CCn1nc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c1C ZINC000372262298 138165847 /nfs/dbraw/zinc/16/58/47/138165847.db2.gz QLXKFDCWYUZSJK-UWVGGRQHSA-N -1 0 317.367 -0.272 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000372260471 138166107 /nfs/dbraw/zinc/16/61/07/138166107.db2.gz IHDFSVJSVPLHAP-RQJHMYQMSA-N -1 0 323.758 -0.410 20 0 DBADRM CN(CC(N)=O)C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000357889831 138147425 /nfs/dbraw/zinc/14/74/25/138147425.db2.gz LRRHRUOKTHGELG-UHFFFAOYSA-N -1 0 303.315 -0.246 20 0 DBADRM COC(=O)c1cn([C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC000358042614 138148175 /nfs/dbraw/zinc/14/81/75/138148175.db2.gz UYGXYJAXJUCYCR-QMMMGPOBSA-N -1 0 307.314 -0.275 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000370293557 138156861 /nfs/dbraw/zinc/15/68/61/138156861.db2.gz GZSYWTBIYKGZIY-QWRGUYRKSA-N -1 0 324.399 -0.379 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])nc1Cl ZINC000373569181 138173152 /nfs/dbraw/zinc/17/31/52/138173152.db2.gz PXASRHRYMSOJFM-PHDIDXHHSA-N -1 0 309.731 -0.718 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)CC1=O ZINC000373857730 138174202 /nfs/dbraw/zinc/17/42/02/138174202.db2.gz CPUNUILGDCUSNG-GJMOJQLCSA-N -1 0 315.317 -0.018 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000373884986 138174584 /nfs/dbraw/zinc/17/45/84/138174584.db2.gz GOMIUNLPFQXLQM-SECBINFHSA-N -1 0 323.315 -0.014 20 0 DBADRM O=S(=O)(NC[C@H]1COC2(CCOCC2)O1)c1c[nH]cn1 ZINC000378473290 138198429 /nfs/dbraw/zinc/19/84/29/138198429.db2.gz OVQGFVGDZPZRFP-VIFPVBQESA-N -1 0 303.340 -0.390 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)CC1=O ZINC000407992846 138201208 /nfs/dbraw/zinc/20/12/08/138201208.db2.gz VHJGLHGTJYRVJN-WDEREUQCSA-N -1 0 318.395 -0.130 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)nnn1C ZINC000408005230 138201903 /nfs/dbraw/zinc/20/19/03/138201903.db2.gz RFOPNYUREKGNJT-UHFFFAOYSA-N -1 0 310.339 -0.615 20 0 DBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)n1 ZINC000408131709 138208145 /nfs/dbraw/zinc/20/81/45/138208145.db2.gz HUZFRSSJWSALRC-SECBINFHSA-N -1 0 302.356 -0.155 20 0 DBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)CCOC1 ZINC000408157908 138209252 /nfs/dbraw/zinc/20/92/52/138209252.db2.gz LHFGZWNSLGOVGN-GFCCVEGCSA-N -1 0 315.351 -0.103 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000408300602 138214271 /nfs/dbraw/zinc/21/42/71/138214271.db2.gz YOGBIWQRJVMWPV-JTQLQIEISA-N -1 0 317.367 -0.183 20 0 DBADRM CC(C)CN1C[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)CC1=O ZINC000408382580 138216408 /nfs/dbraw/zinc/21/64/08/138216408.db2.gz DLTQLMLBTUPYPZ-MNOVXSKESA-N -1 0 318.395 -0.274 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000408377198 138216424 /nfs/dbraw/zinc/21/64/24/138216424.db2.gz ZKQALOIHWPZKBD-RITPCOANSA-N -1 0 302.274 -0.091 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000408377196 138216463 /nfs/dbraw/zinc/21/64/63/138216463.db2.gz ZKQALOIHWPZKBD-PHDIDXHHSA-N -1 0 302.274 -0.091 20 0 DBADRM CC(C)(C)N1C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)CC1=O ZINC000408385355 138216510 /nfs/dbraw/zinc/21/65/10/138216510.db2.gz LLHCKGHBVNVPJU-VHSXEESVSA-N -1 0 318.395 -0.132 20 0 DBADRM CC(C)CN1C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)CC1=O ZINC000408382579 138216640 /nfs/dbraw/zinc/21/66/40/138216640.db2.gz DLTQLMLBTUPYPZ-GHMZBOCLSA-N -1 0 318.395 -0.274 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000408377325 138216741 /nfs/dbraw/zinc/21/67/41/138216741.db2.gz ZWKUMODLJGPTAL-ZCFIWIBFSA-N -1 0 302.274 -0.137 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000408390030 138217336 /nfs/dbraw/zinc/21/73/36/138217336.db2.gz QNPVXHHLSYBMAG-GHMZBOCLSA-N -1 0 304.368 -0.520 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000408388757 138217512 /nfs/dbraw/zinc/21/75/12/138217512.db2.gz WTWCDFNSPXBDOV-WCBMZHEXSA-N -1 0 302.352 -0.768 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)CC1=O ZINC000408429295 138218353 /nfs/dbraw/zinc/21/83/53/138218353.db2.gz XRCCDXFCOYWYPZ-VHSXEESVSA-N -1 0 304.368 -0.520 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000408456980 138219520 /nfs/dbraw/zinc/21/95/20/138219520.db2.gz MRPPMDRFTWQMCJ-ZETCQYMHSA-N -1 0 304.290 -0.285 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000408456625 138220011 /nfs/dbraw/zinc/22/00/11/138220011.db2.gz JZXQAYZOAHOBKO-MNOVXSKESA-N -1 0 306.384 -0.668 20 0 DBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408456277 138220041 /nfs/dbraw/zinc/22/00/41/138220041.db2.gz HHIAHVKGNKQZBX-MNOVXSKESA-N -1 0 306.384 -0.668 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)cnn1C ZINC000408489189 138220286 /nfs/dbraw/zinc/22/02/86/138220286.db2.gz QJMYPLYAWLTFOI-UHFFFAOYSA-N -1 0 309.351 -0.010 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)C1 ZINC000408479092 138220337 /nfs/dbraw/zinc/22/03/37/138220337.db2.gz LFUOWSAEXUKYGO-NSHDSACASA-N -1 0 304.368 -0.520 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cnc(C)s2)C1 ZINC000408486037 138220360 /nfs/dbraw/zinc/22/03/60/138220360.db2.gz RKWOAYKHFXWLHD-UHFFFAOYSA-N -1 0 303.365 -0.265 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)C2CN(C(C)=O)C2)nc1C ZINC000408476404 138220407 /nfs/dbraw/zinc/22/04/07/138220407.db2.gz ACCLQPRZOLHVCY-UHFFFAOYSA-N -1 0 314.367 -0.505 20 0 DBADRM CN(C)c1cnc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)cn1 ZINC000408501098 138220411 /nfs/dbraw/zinc/22/04/11/138220411.db2.gz PSXBVQFGEQJQEP-SECBINFHSA-N -1 0 314.367 -0.219 20 0 DBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2ncccc2F)C1 ZINC000408483368 138220461 /nfs/dbraw/zinc/22/04/61/138220461.db2.gz WQWCVWDTAIFVIV-UHFFFAOYSA-N -1 0 301.299 -0.496 20 0 DBADRM Cn1ncc2c1C[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)CC2 ZINC000408476718 138220504 /nfs/dbraw/zinc/22/05/04/138220504.db2.gz BZUDXXKPRTXECQ-KOLCDFICSA-N -1 0 313.379 -0.240 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000408481760 138220531 /nfs/dbraw/zinc/22/05/31/138220531.db2.gz JNIUMYUVSCFQGG-SNVBAGLBSA-N -1 0 316.383 -0.746 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000129719981 304077699 /nfs/dbraw/zinc/07/76/99/304077699.db2.gz CEFWTRMZDYDMHZ-SECBINFHSA-N -1 0 306.340 -0.988 20 0 DBADRM CO[C@H](CNC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000427770727 236915298 /nfs/dbraw/zinc/91/52/98/236915298.db2.gz LKAATCZXCRUVCD-SNVBAGLBSA-N -1 0 306.278 -0.993 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]2O)c1 ZINC000425044527 237388901 /nfs/dbraw/zinc/38/89/01/237388901.db2.gz IFRHSICAIQQJRG-ZYHUDNBSSA-N -1 0 314.363 -0.104 20 0 DBADRM C[C@H](C(=O)[O-])C1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000227171643 283583522 /nfs/dbraw/zinc/58/35/22/283583522.db2.gz OAHGLCCQEQQPPW-AEJSXWLSSA-N -1 0 306.384 -0.007 20 0 DBADRM O=C(CCNC(=O)c1cccs1)NCCc1nc(=O)o[n-]1 ZINC000447634788 238331378 /nfs/dbraw/zinc/33/13/78/238331378.db2.gz ANFCFBDGMCKCCY-UHFFFAOYSA-N -1 0 310.335 -0.097 20 0 DBADRM O=C(CCNC(=O)c1ccsc1)NCCc1nc(=O)o[n-]1 ZINC000447634260 238331470 /nfs/dbraw/zinc/33/14/70/238331470.db2.gz NOGXGYFTUSDGEX-UHFFFAOYSA-N -1 0 310.335 -0.097 20 0 DBADRM COc1cccc(C[C@H](O)C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000447638018 238334078 /nfs/dbraw/zinc/33/40/78/238334078.db2.gz YPRDUNMDFAXLBC-NSHDSACASA-N -1 0 307.306 -0.366 20 0 DBADRM C[C@@H]1OCC[C@@]1(O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000447742896 238335259 /nfs/dbraw/zinc/33/52/59/238335259.db2.gz RKFVZHSZWWVFBN-JKYUHCHBSA-N -1 0 320.305 -0.294 20 0 DBADRM O=C([O-])C1(CNC(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000448997093 238350335 /nfs/dbraw/zinc/35/03/35/238350335.db2.gz TVDHMJCRATYEHF-UHFFFAOYSA-N -1 0 302.290 -0.228 20 0 DBADRM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000447768533 291251739 /nfs/dbraw/zinc/25/17/39/291251739.db2.gz SGQUSZVMVZXTHJ-NKWVEPMBSA-N -1 0 316.326 -0.421 20 0 DBADRM CN(CCC(=O)[O-])C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000532876313 283626238 /nfs/dbraw/zinc/62/62/38/283626238.db2.gz ZKYUTZOFEUTFHV-UHFFFAOYSA-N -1 0 322.321 -0.878 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000535513113 283653036 /nfs/dbraw/zinc/65/30/36/283653036.db2.gz GKNMQRNZLORMSD-JTQLQIEISA-N -1 0 322.383 -0.087 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)c1n[nH]c(=O)[n-]1)N1CCCC1 ZINC000536545921 283660682 /nfs/dbraw/zinc/66/06/82/283660682.db2.gz PKSVWMMNBHMIAG-SNVBAGLBSA-N -1 0 323.353 -0.246 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H](O)C1CCOCC1)[C@@H](C)C(=O)[O-] ZINC000540966294 283686733 /nfs/dbraw/zinc/68/67/33/283686733.db2.gz DSMXUKQLRJBJHN-CABZTGNLSA-N -1 0 316.354 -0.788 20 0 DBADRM COc1cncc(S(=O)(=O)NC[C@H](CC(=O)[O-])OC)c1 ZINC000541910360 283694243 /nfs/dbraw/zinc/69/42/43/283694243.db2.gz DYGNFPGHWYHWQR-VIFPVBQESA-N -1 0 304.324 -0.142 20 0 DBADRM O=C([O-])[C@@H]1CCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000262126354 304111728 /nfs/dbraw/zinc/11/17/28/304111728.db2.gz NAQREJSHIUWAEA-VIFPVBQESA-N -1 0 309.322 -0.073 20 0 DBADRM COCCCS(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000547565811 283745033 /nfs/dbraw/zinc/74/50/33/283745033.db2.gz RORBCOMBSMDIAA-NSHDSACASA-N -1 0 319.383 -0.381 20 0 DBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CC(C(=O)[O-])C2)c1 ZINC000547567229 283745041 /nfs/dbraw/zinc/74/50/41/283745041.db2.gz DHJXRBVYHPEOBG-UHFFFAOYSA-N -1 0 323.334 -0.418 20 0 DBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000547572660 283745562 /nfs/dbraw/zinc/74/55/62/283745562.db2.gz MUKJOPFHGGGFMC-XHNCKOQMSA-N -1 0 309.340 -0.917 20 0 DBADRM CCN(CC)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000547595944 283745895 /nfs/dbraw/zinc/74/58/95/283745895.db2.gz ATKIKLRUNYNOMP-IUCAKERBSA-N -1 0 307.372 -0.777 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000547547872 283742921 /nfs/dbraw/zinc/74/29/21/283742921.db2.gz DEGJIEJZHJCIQY-WPRPVWTQSA-N -1 0 305.356 -0.110 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)N(C)CC1CC1)C(=O)[O-] ZINC000547557834 283744390 /nfs/dbraw/zinc/74/43/90/283744390.db2.gz RIZFHEHYPYNFNG-VIFPVBQESA-N -1 0 308.356 -0.431 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])nc1C ZINC000547702011 283749699 /nfs/dbraw/zinc/74/96/99/283749699.db2.gz RQQJPNBJDFXLPF-LBPRGKRZSA-N -1 0 319.383 -0.037 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000547611281 283747165 /nfs/dbraw/zinc/74/71/65/283747165.db2.gz AQLGLMMTDDCNSU-UHFFFAOYSA-N -1 0 303.292 -0.205 20 0 DBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-] ZINC000547616718 283747485 /nfs/dbraw/zinc/74/74/85/283747485.db2.gz AUTMLNRLPZUADA-QWRGUYRKSA-N -1 0 313.335 -0.154 20 0 DBADRM COC(=O)c1csc(S(=O)(=O)NCCOCC(=O)[O-])c1 ZINC000547615963 283747511 /nfs/dbraw/zinc/74/75/11/283747511.db2.gz QMILGWKAPFDUGB-UHFFFAOYSA-N -1 0 323.348 -0.086 20 0 DBADRM COc1cccc(OC)c1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000547903021 283757638 /nfs/dbraw/zinc/75/76/38/283757638.db2.gz OGNSKGDEAHHVBC-UHFFFAOYSA-N -1 0 319.335 -0.229 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000547893522 283757650 /nfs/dbraw/zinc/75/76/50/283757650.db2.gz MMPKYPZJWPNXGF-CABZTGNLSA-N -1 0 322.383 -0.041 20 0 DBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000547913674 283758291 /nfs/dbraw/zinc/75/82/91/283758291.db2.gz RJFJRQDVDOEFQG-APPZFPTMSA-N -1 0 307.372 -0.730 20 0 DBADRM Cc1cc(CS(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])on1 ZINC000547905841 283758448 /nfs/dbraw/zinc/75/84/48/283758448.db2.gz GZJXTPXRGNXJEZ-VIFPVBQESA-N -1 0 306.340 -0.030 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000547907464 283758636 /nfs/dbraw/zinc/75/86/36/283758636.db2.gz QNSUBDATALOBMR-QWRGUYRKSA-N -1 0 322.383 -0.555 20 0 DBADRM CCOCCS(=O)(=O)N[C@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000547878294 283755893 /nfs/dbraw/zinc/75/58/93/283755893.db2.gz GWALRWAFLDCRLA-LLVKDONJSA-N -1 0 319.383 -0.091 20 0 DBADRM CCOCCS(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000547881514 283756321 /nfs/dbraw/zinc/75/63/21/283756321.db2.gz HTCAFJPCQNLKMI-JTQLQIEISA-N -1 0 305.356 -0.399 20 0 DBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000547882668 283756342 /nfs/dbraw/zinc/75/63/42/283756342.db2.gz WSOZDNJAFLBBFP-CIUDSAMLSA-N -1 0 309.340 -0.917 20 0 DBADRM CC(C)CCS(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-] ZINC000547890228 283757125 /nfs/dbraw/zinc/75/71/25/283757125.db2.gz OJPZVAHWEZXHRP-LLVKDONJSA-N -1 0 308.400 -0.263 20 0 DBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000547930980 283759791 /nfs/dbraw/zinc/75/97/91/283759791.db2.gz CSTWCJJGMOSYOU-OYHJMPOTSA-N -1 0 324.424 -0.521 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C)[C@H]1C(=O)[O-] ZINC000548250201 283772714 /nfs/dbraw/zinc/77/27/14/283772714.db2.gz WWCMWRBPCMVVKY-WPRPVWTQSA-N -1 0 308.356 -0.479 20 0 DBADRM CS(=O)(=O)N[C@@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000548204944 283770092 /nfs/dbraw/zinc/77/00/92/283770092.db2.gz WUZTUHSVLWXGLW-YFKPBYRVSA-N -1 0 301.246 -0.096 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)c[nH]1 ZINC000548217393 283770751 /nfs/dbraw/zinc/77/07/51/283770751.db2.gz NCUMZQKTGVFYSK-VIFPVBQESA-N -1 0 302.308 -0.057 20 0 DBADRM Cc1cc(C)n(C[C@H](NS(=O)(=O)[C@@H]2CCOC2)C(=O)[O-])n1 ZINC000548220120 283770771 /nfs/dbraw/zinc/77/07/71/283770771.db2.gz ZEGYMGREJRJWMA-MNOVXSKESA-N -1 0 317.367 -0.339 20 0 DBADRM COC[C@H](NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC)C(=O)[O-] ZINC000548218472 283770835 /nfs/dbraw/zinc/77/08/35/283770835.db2.gz ZFXQYHYEEUCJMI-UTLUCORTSA-N -1 0 323.367 -0.263 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)CCCS(C)(=O)=O ZINC000548233128 283771793 /nfs/dbraw/zinc/77/17/93/283771793.db2.gz AJAUXGQNERROBC-MRVPVSSYSA-N -1 0 301.386 -0.454 20 0 DBADRM CCC(=O)C[C@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-] ZINC000548265690 283773436 /nfs/dbraw/zinc/77/34/36/283773436.db2.gz GZYMMKHSTAKFHG-VIFPVBQESA-N -1 0 315.351 -0.070 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cc(C)cnc1N ZINC000548560720 283784766 /nfs/dbraw/zinc/78/47/66/283784766.db2.gz FNARZRDMAJSFIT-UHFFFAOYSA-N -1 0 303.340 -0.306 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)C[C@@H](C)O1 ZINC000548528918 283782450 /nfs/dbraw/zinc/78/24/50/283782450.db2.gz IARAFNPXWVFSHD-ZNSHCXBVSA-N -1 0 322.383 -0.580 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000548528345 283782537 /nfs/dbraw/zinc/78/25/37/283782537.db2.gz BISYHJABIJYYDO-PSASIEDQSA-N -1 0 302.356 -0.136 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)N(C)[C@@H](C)C1CC1)C(=O)[O-] ZINC000548535720 283783281 /nfs/dbraw/zinc/78/32/81/283783281.db2.gz RFHKXFLJGYVXJB-WPRPVWTQSA-N -1 0 322.383 -0.043 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000548533029 283783324 /nfs/dbraw/zinc/78/33/24/283783324.db2.gz XVCCBYFRBROEGH-WDSKDSINSA-N -1 0 303.283 -0.177 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-] ZINC000548685598 283788996 /nfs/dbraw/zinc/78/89/96/283788996.db2.gz YRDPCASAPPWVGN-KCJUWKMLSA-N -1 0 311.356 -0.812 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)C[C@H]1CCCO1 ZINC000548580818 283785706 /nfs/dbraw/zinc/78/57/06/283785706.db2.gz DMWWFQNLLVIFOJ-AEJSXWLSSA-N -1 0 320.367 -0.854 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)CCCF)C2)C1 ZINC000548575871 283785716 /nfs/dbraw/zinc/78/57/16/283785716.db2.gz KNVOQWXVDSHIKI-NXEZZACHSA-N -1 0 322.358 -0.317 20 0 DBADRM C[C@@H]1CCCCN1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000548584670 283786061 /nfs/dbraw/zinc/78/60/61/283786061.db2.gz BJFDTGJAQGDWFJ-QGRDJGHBSA-N -1 0 324.424 -0.377 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCCOCC(=O)[O-])o1 ZINC000548592209 283786601 /nfs/dbraw/zinc/78/66/01/283786601.db2.gz ADDKDJMYHIBSSI-UHFFFAOYSA-N -1 0 307.280 -0.554 20 0 DBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NCCOCC(=O)[O-] ZINC000548589321 283786705 /nfs/dbraw/zinc/78/67/05/283786705.db2.gz LXZFHNQACZXPQZ-VHSXEESVSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)c1nscc1S(=O)(=O)NC1(C(=O)[O-])CC1 ZINC000548769679 283792287 /nfs/dbraw/zinc/79/22/87/283792287.db2.gz CWTYSHRWSJFKOB-UHFFFAOYSA-N -1 0 306.321 -0.175 20 0 DBADRM COCCN(CCOC)C(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000551242443 283809728 /nfs/dbraw/zinc/80/97/28/283809728.db2.gz VLFCRKOJIUMCHD-GHMZBOCLSA-N -1 0 304.343 -0.220 20 0 DBADRM COCCN(CCOC)C(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000551242448 283809844 /nfs/dbraw/zinc/80/98/44/283809844.db2.gz VLFCRKOJIUMCHD-MNOVXSKESA-N -1 0 304.343 -0.220 20 0 DBADRM O=C([O-])C[C@H](CNS(=O)(=O)N1CCOCC1)C(F)(F)F ZINC000551915328 283816871 /nfs/dbraw/zinc/81/68/71/283816871.db2.gz PXFUBSYHSCYCOJ-SSDOTTSWSA-N -1 0 320.289 -0.194 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000556773767 283955699 /nfs/dbraw/zinc/95/56/99/283955699.db2.gz QFIZDKLDGDYNKU-VIFPVBQESA-N -1 0 313.339 -0.434 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000362694904 304134592 /nfs/dbraw/zinc/13/45/92/304134592.db2.gz RGFGIWIGDGRIFL-NSHDSACASA-N -1 0 318.289 -0.897 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)CN1C(=O)COc2ccccc21 ZINC000262523291 304134301 /nfs/dbraw/zinc/13/43/01/304134301.db2.gz RBBTXSXULFKJJE-NSHDSACASA-N -1 0 320.301 -0.276 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000558718492 283978310 /nfs/dbraw/zinc/97/83/10/283978310.db2.gz ZEAYZLJXHPUIRC-GXSJLCMTSA-N -1 0 323.367 -0.573 20 0 DBADRM Cn1nccc1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000559543220 283984411 /nfs/dbraw/zinc/98/44/11/283984411.db2.gz WJVZXKFZCVEFCA-SKDRFNHKSA-N -1 0 315.351 -0.468 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000571669558 334999378 /nfs/dbraw/zinc/99/93/78/334999378.db2.gz YVNYADSNRYEBMJ-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM CCOCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000562449446 284011111 /nfs/dbraw/zinc/01/11/11/284011111.db2.gz GVKYETRBCJFBNF-JQWIXIFHSA-N -1 0 307.368 -0.224 20 0 DBADRM COCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000562483455 284011429 /nfs/dbraw/zinc/01/14/29/284011429.db2.gz ZLKFCASDOFSHCU-VXGBXAGGSA-N -1 0 317.363 -0.391 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-] ZINC000562651130 284013403 /nfs/dbraw/zinc/01/34/03/284013403.db2.gz FYYTZNZHMCDPET-SECBINFHSA-N -1 0 317.367 -0.019 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000563069898 284021314 /nfs/dbraw/zinc/02/13/14/284021314.db2.gz XXCRMVGOCIPDDM-VWYCJHECSA-N -1 0 322.383 -0.484 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000562995520 284018738 /nfs/dbraw/zinc/01/87/38/284018738.db2.gz KRFYCSSSHGIATR-NSHDSACASA-N -1 0 303.340 -0.088 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000562999604 284019427 /nfs/dbraw/zinc/01/94/27/284019427.db2.gz OVNPUFLWPSRKDY-SNVBAGLBSA-N -1 0 313.339 -0.434 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000563133577 284025408 /nfs/dbraw/zinc/02/54/08/284025408.db2.gz JQVUUBOYDLANEV-DTWKUNHWSA-N -1 0 322.321 -0.007 20 0 DBADRM CN(C1CCN(C(=O)C(C)(C)C(=O)[O-])CC1)S(C)(=O)=O ZINC000563201499 284028611 /nfs/dbraw/zinc/02/86/11/284028611.db2.gz WLBQSPYUFVICDN-UHFFFAOYSA-N -1 0 306.384 -0.020 20 0 DBADRM NS(=O)(=O)CC1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC000563203870 284028774 /nfs/dbraw/zinc/02/87/74/284028774.db2.gz FJXXGLDYVYRLIQ-UHFFFAOYSA-N -1 0 300.340 -0.320 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)[C@H]1CCO[C@@H]1C)C(=O)[O-] ZINC000563227762 284029677 /nfs/dbraw/zinc/02/96/77/284029677.db2.gz XAVBZINXGOBTGU-VGMNWLOBSA-N -1 0 309.340 -0.510 20 0 DBADRM C[C@](O)(CNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1)C(=O)[O-] ZINC000563413590 284037913 /nfs/dbraw/zinc/03/79/13/284037913.db2.gz CSDBRDUBLNSEQB-HOTGVXAUSA-N -1 0 320.345 -0.214 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C[C@@H](C)CC(=O)[O-] ZINC000563422255 284038128 /nfs/dbraw/zinc/03/81/28/284038128.db2.gz FGJXTIVUUASEMG-ZJUUUORDSA-N -1 0 313.354 -0.660 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000262399115 304139778 /nfs/dbraw/zinc/13/97/78/304139778.db2.gz LZBDNHIONSJTEQ-DTWKUNHWSA-N -1 0 322.408 -0.798 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CNc2ccccc2)CCS1(=O)=O ZINC000563728231 284048255 /nfs/dbraw/zinc/04/82/55/284048255.db2.gz CGFUGHSRPWWEBM-NSHDSACASA-N -1 0 312.347 -0.191 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CCO1 ZINC000563622757 284045517 /nfs/dbraw/zinc/04/55/17/284045517.db2.gz FVBOYJOQDGGAIT-SNVBAGLBSA-N -1 0 321.289 -0.964 20 0 DBADRM CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)C(=O)[O-])s1 ZINC000563915857 284052572 /nfs/dbraw/zinc/05/25/72/284052572.db2.gz YIMTUWSGWOFMBW-LURJTMIESA-N -1 0 321.380 -0.072 20 0 DBADRM CC[C@@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000563768830 284048814 /nfs/dbraw/zinc/04/88/14/284048814.db2.gz NKMWPVWCOZNXPD-MRVPVSSYSA-N -1 0 306.278 -0.373 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCc2ccn(C)n2)C[C@@H]1C(=O)[O-] ZINC000563811032 284049597 /nfs/dbraw/zinc/04/95/97/284049597.db2.gz QDPAPYQQBZUBBI-ONGXEEELSA-N -1 0 308.338 -0.395 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC1=O ZINC000564453380 284060508 /nfs/dbraw/zinc/06/05/08/284060508.db2.gz MWDXGSVZBOEAMO-JTQLQIEISA-N -1 0 305.290 -0.330 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cn1 ZINC000564800961 284067236 /nfs/dbraw/zinc/06/72/36/284067236.db2.gz BWEAPRRUCNSFKH-MRVPVSSYSA-N -1 0 317.323 -0.913 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000564921692 284071739 /nfs/dbraw/zinc/07/17/39/284071739.db2.gz KFUSWJCHPGBZTA-JTQLQIEISA-N -1 0 316.335 -0.046 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000564921707 284071922 /nfs/dbraw/zinc/07/19/22/284071922.db2.gz LAVXXOUHDHRMEF-VIFPVBQESA-N -1 0 315.351 -0.164 20 0 DBADRM COCC1(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)CC1 ZINC000565056283 284080008 /nfs/dbraw/zinc/08/00/08/284080008.db2.gz PAPKGGIIDYYHCS-CMPLNLGQSA-N -1 0 319.379 -0.082 20 0 DBADRM COCc1ccccc1CS(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000565232274 284088943 /nfs/dbraw/zinc/08/89/43/284088943.db2.gz BGNCCOAWXGEXSB-LLVKDONJSA-N -1 0 303.336 -0.302 20 0 DBADRM COCCn1nnc2c1CCN(c1ccc(C(=O)[O-])nn1)C2 ZINC000565423508 284095181 /nfs/dbraw/zinc/09/51/81/284095181.db2.gz JMVFINMBOQBWJL-UHFFFAOYSA-N -1 0 304.310 -0.025 20 0 DBADRM COCC1(C(=O)[O-])CCN(S(=O)(=O)c2ccn(C)n2)CC1 ZINC000565477715 284096226 /nfs/dbraw/zinc/09/62/26/284096226.db2.gz LKKKZCSNYJCUBU-UHFFFAOYSA-N -1 0 317.367 -0.078 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCOC[C@]12CCOC2 ZINC000565361395 284093466 /nfs/dbraw/zinc/09/34/66/284093466.db2.gz NAIAKNLCRUHVJU-CMPLNLGQSA-N -1 0 320.367 -0.729 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N(C)Cc2nccn2C)C[C@H]1C(=O)[O-] ZINC000565363848 284093539 /nfs/dbraw/zinc/09/35/39/284093539.db2.gz VPUNVBPQQYVZSD-WDEREUQCSA-N -1 0 322.365 -0.052 20 0 DBADRM Cc1nc([C@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)CCO2)n[nH]1 ZINC000565363749 284093573 /nfs/dbraw/zinc/09/35/73/284093573.db2.gz RDALJBKRIFBWPG-IVZWLZJFSA-N -1 0 310.310 -0.355 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cccc2c1OCC(=O)N2)C(=O)[O-] ZINC000565774539 284104220 /nfs/dbraw/zinc/10/42/20/284104220.db2.gz DJKUJMXSDKYTBF-SSDOTTSWSA-N -1 0 321.289 -0.065 20 0 DBADRM Cn1cnc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)c1 ZINC000565876710 284106546 /nfs/dbraw/zinc/10/65/46/284106546.db2.gz GRTFDYWZAVEELV-BXKDBHETSA-N -1 0 315.351 -0.468 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CN1CC(=O)NC1=O ZINC000262327539 304148621 /nfs/dbraw/zinc/14/86/21/304148621.db2.gz DMKDWIVMHDZICQ-BBBLOLIVSA-N -1 0 309.322 -0.218 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)[C@H]1CCCOC1 ZINC000262755722 304172337 /nfs/dbraw/zinc/17/23/37/304172337.db2.gz KIEULPVGORCWEA-GARJFASQSA-N -1 0 319.379 -0.050 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c(C)c1 ZINC000020301923 182204360 /nfs/dbraw/zinc/20/43/60/182204360.db2.gz LERHFUVWUQHBEB-SECBINFHSA-N -1 0 300.336 -0.090 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)[O-] ZINC000020301940 182204667 /nfs/dbraw/zinc/20/46/67/182204667.db2.gz XMYGVMHZSBEHDF-ZETCQYMHSA-N -1 0 306.727 -0.053 20 0 DBADRM C[C@H](NC(=O)CNC(=O)c1cnc2ccccc2c1O)C(N)=O ZINC000044973393 374271030 /nfs/dbraw/zinc/27/10/30/374271030.db2.gz WBNJZRPXEMMOTO-QMMMGPOBSA-N -1 0 316.317 -0.752 20 0 DBADRM NC(=O)CN1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1=O ZINC000622691446 374242219 /nfs/dbraw/zinc/24/22/19/374242219.db2.gz LTFBDKKUSLGOOT-UHFFFAOYSA-N -1 0 313.260 -0.560 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CC[C@H](O)[C@H](CO)C1 ZINC000616317398 374287750 /nfs/dbraw/zinc/28/77/50/374287750.db2.gz WCTIKGZYKNAPRQ-RYUDHWBXSA-N -1 0 319.317 -0.155 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CC[C@@H](O)[C@H](CO)C1 ZINC000616317397 374287925 /nfs/dbraw/zinc/28/79/25/374287925.db2.gz WCTIKGZYKNAPRQ-NWDGAFQWSA-N -1 0 319.317 -0.155 20 0 DBADRM CN(C)S(=O)(=O)N1CC(N=c2nc(C3CC3)[n-]s2)C1 ZINC000624708813 374305957 /nfs/dbraw/zinc/30/59/57/374305957.db2.gz LKIHBXQQNISYPP-UHFFFAOYSA-N -1 0 303.413 -0.260 20 0 DBADRM CN1C[C@H](NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1=O ZINC000625047543 374338079 /nfs/dbraw/zinc/33/80/79/374338079.db2.gz MGFQQJWMMHUAOH-SECBINFHSA-N -1 0 312.351 -0.586 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])OC)c[nH]1 ZINC000530542263 374392640 /nfs/dbraw/zinc/39/26/40/374392640.db2.gz YUMNARRFVKDCAO-ZETCQYMHSA-N -1 0 320.323 -0.431 20 0 DBADRM CN(CCC(=O)[O-])C(=O)CSCC(=O)N1CCOCC1 ZINC000037931556 374396482 /nfs/dbraw/zinc/39/64/82/374396482.db2.gz TWDRJDGWCIMRPW-UHFFFAOYSA-N -1 0 304.368 -0.489 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)C[C@@H]1CCCO1)C(=O)[O-] ZINC000233690816 374379387 /nfs/dbraw/zinc/37/93/87/374379387.db2.gz ZPUIFFULESQJDJ-UWVGGRQHSA-N -1 0 323.367 -0.119 20 0 DBADRM COC[C@](C)(O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000530642407 374422324 /nfs/dbraw/zinc/42/23/24/374422324.db2.gz ULILAYMFLRTDRV-CYBMUJFWSA-N -1 0 308.294 -0.437 20 0 DBADRM CCn1cnc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC000092890254 374425982 /nfs/dbraw/zinc/42/59/82/374425982.db2.gz DLKHRKONCDQGAS-UHFFFAOYSA-N -1 0 314.327 -0.829 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NC[C@@H]1COCCO1 ZINC000134691522 374431749 /nfs/dbraw/zinc/43/17/49/374431749.db2.gz QFWGPKQCNUIAHR-ZCFIWIBFSA-N -1 0 308.337 -0.465 20 0 DBADRM Cn1c(=O)oc2cc(S(=O)(=O)N3CC(C(=O)[O-])C3)ccc21 ZINC000071173367 374480322 /nfs/dbraw/zinc/48/03/22/374480322.db2.gz AAXNVOYXFMYZJL-UHFFFAOYSA-N -1 0 312.303 -0.163 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c(C)s1 ZINC000037406595 374480354 /nfs/dbraw/zinc/48/03/54/374480354.db2.gz GUVQXPBEOZPMKC-ZETCQYMHSA-N -1 0 306.365 -0.028 20 0 DBADRM COc1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)cc1C(N)=O ZINC000071173229 374480826 /nfs/dbraw/zinc/48/08/26/374480826.db2.gz UCKREJBFYFNBFV-UHFFFAOYSA-N -1 0 314.319 -0.501 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000070141613 374472971 /nfs/dbraw/zinc/47/29/71/374472971.db2.gz UMODRERYRCNHEM-QMMMGPOBSA-N -1 0 319.339 -0.668 20 0 DBADRM CCN1C[C@H](NC(=O)N2CC[C@@](COC)(C(=O)[O-])C2)CC1=O ZINC000391496098 374497736 /nfs/dbraw/zinc/49/77/36/374497736.db2.gz GTMHYRILDKXGJB-QMTHXVAHSA-N -1 0 313.354 -0.260 20 0 DBADRM COC(=O)[C@H](CNC(=O)c1n[nH]c(=O)[n-]1)Oc1ccc(F)cc1 ZINC000536347490 374539040 /nfs/dbraw/zinc/53/90/40/374539040.db2.gz FXTBAZCTMDIWAR-VIFPVBQESA-N -1 0 324.268 0.000 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)cc1C(=O)[O-] ZINC000084088927 374546638 /nfs/dbraw/zinc/54/66/38/374546638.db2.gz YOVBGWPUZDGEEH-QMMMGPOBSA-N -1 0 315.351 -0.378 20 0 DBADRM CO[C@](C)(CO)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000616688468 374554106 /nfs/dbraw/zinc/55/41/06/374554106.db2.gz SIUCPSUFPRAWBT-LBPRGKRZSA-N -1 0 318.351 -0.833 20 0 DBADRM CC(C)[C@H](CNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000087492507 374591532 /nfs/dbraw/zinc/59/15/32/374591532.db2.gz VDDQQWJEDSFVLH-VIFPVBQESA-N -1 0 317.367 -0.241 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634698432 374592976 /nfs/dbraw/zinc/59/29/76/374592976.db2.gz LQYPPGNQHJPTCZ-FIQHERPVSA-N -1 0 310.350 -0.340 20 0 DBADRM COCC[C@@H](NC(=O)c1nc2nc(C)cc(C)n2n1)C(=O)[O-] ZINC000261981041 374585200 /nfs/dbraw/zinc/58/52/00/374585200.db2.gz RJXFEZDWEMOIEE-SECBINFHSA-N -1 0 307.310 -0.039 20 0 DBADRM O=C([O-])c1cn(CCNS(=O)(=O)N2CCCCC2)nn1 ZINC000089696117 374637111 /nfs/dbraw/zinc/63/71/11/374637111.db2.gz XOEITTMSINKKRV-UHFFFAOYSA-N -1 0 303.344 -0.703 20 0 DBADRM C[C@](O)(CNS(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-] ZINC000090276915 374664890 /nfs/dbraw/zinc/66/48/90/374664890.db2.gz QTOIQGSNPCGIBE-ZDUSSCGKSA-N -1 0 314.363 -0.285 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000092921094 374686605 /nfs/dbraw/zinc/68/66/05/374686605.db2.gz WCTGQVAHFCDHLD-VXNVDRBHSA-N -1 0 315.351 -0.392 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000588896360 374770340 /nfs/dbraw/zinc/77/03/40/374770340.db2.gz UMXKDNGKINWAGS-MRVPVSSYSA-N -1 0 311.356 -0.971 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000129472607 374773523 /nfs/dbraw/zinc/77/35/23/374773523.db2.gz GPNWAYNXZNNPKJ-SNVBAGLBSA-N -1 0 317.367 -0.099 20 0 DBADRM C[C@@H](C(=O)NCc1nnn[n-]1)S(=O)(=O)c1ccc(F)cc1 ZINC000600497231 374785190 /nfs/dbraw/zinc/78/51/90/374785190.db2.gz ZYRUJJBSEXFGBA-ZETCQYMHSA-N -1 0 313.314 -0.183 20 0 DBADRM Cc1cc(C(=O)NCc2nnn[n-]2)ccc1N1CCNC1=O ZINC000600497656 374786185 /nfs/dbraw/zinc/78/61/85/374786185.db2.gz NYMZVWJCURFGAO-UHFFFAOYSA-N -1 0 301.310 -0.032 20 0 DBADRM C[C@@H]1Oc2ccccc2N(CC(=O)NCc2nnn[n-]2)C1=O ZINC000600497723 374786456 /nfs/dbraw/zinc/78/64/56/374786456.db2.gz QJWAKTVKSGAGPN-QMMMGPOBSA-N -1 0 302.294 -0.370 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000408213655 374789301 /nfs/dbraw/zinc/78/93/01/374789301.db2.gz ICKJILHXVKPLCU-ZETCQYMHSA-N -1 0 304.290 -0.285 20 0 DBADRM C[C@H](NC(=O)CNC(=O)c1cnc2ccccc2c1O)C(=O)[O-] ZINC000427303930 374867484 /nfs/dbraw/zinc/86/74/84/374867484.db2.gz FNJIFFRVKCFJRN-QMMMGPOBSA-N -1 0 317.301 -0.153 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)C2(C(=O)[O-])CCC2)C1 ZINC000400252510 374900866 /nfs/dbraw/zinc/90/08/66/374900866.db2.gz CUYFOIVDFLUUAI-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CC[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000400189895 374888284 /nfs/dbraw/zinc/88/82/84/374888284.db2.gz LDLXEMLSJWRMPY-SECBINFHSA-N -1 0 307.372 -0.427 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400191483 374890040 /nfs/dbraw/zinc/89/00/40/374890040.db2.gz MBDSCCFWTHEBFW-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400229628 374892076 /nfs/dbraw/zinc/89/20/76/374892076.db2.gz LSBISPXYPMCAKU-IVZWLZJFSA-N -1 0 321.399 -0.181 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400231496 374894932 /nfs/dbraw/zinc/89/49/32/374894932.db2.gz MDSLPWHKUKINSI-NXEZZACHSA-N -1 0 321.399 -0.085 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000600657875 374836539 /nfs/dbraw/zinc/83/65/39/374836539.db2.gz KHYVIWNSWUEDDB-SKDRFNHKSA-N -1 0 323.367 -0.167 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC000600661270 374836854 /nfs/dbraw/zinc/83/68/54/374836854.db2.gz VCJWAVLELCJSNQ-VDDIYKPWSA-N -1 0 323.367 -0.311 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000600661268 374837652 /nfs/dbraw/zinc/83/76/52/374837652.db2.gz VCJWAVLELCJSNQ-PTRXPTGYSA-N -1 0 323.367 -0.311 20 0 DBADRM CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1cnnn1C ZINC000600666691 374838530 /nfs/dbraw/zinc/83/85/30/374838530.db2.gz BKKUMQDEGRQOCN-UHFFFAOYSA-N -1 0 314.327 -0.474 20 0 DBADRM COC(=O)Cc1cccc([N-]S(=O)(=O)c2cnnn2C)n1 ZINC000600667035 374838759 /nfs/dbraw/zinc/83/87/59/374838759.db2.gz QEMIOUXYYOYTLZ-UHFFFAOYSA-N -1 0 311.323 -0.274 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000600839244 374860821 /nfs/dbraw/zinc/86/08/21/374860821.db2.gz QZKKCIDGZFJUPZ-JTQLQIEISA-N -1 0 321.289 -0.316 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000625949037 374940400 /nfs/dbraw/zinc/94/04/00/374940400.db2.gz LMBUPPREPRVYGT-ZETCQYMHSA-N -1 0 323.305 -0.417 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000625953376 374946675 /nfs/dbraw/zinc/94/66/75/374946675.db2.gz CCHCXTZFNQEJIH-CZMCAQCFSA-N -1 0 305.290 -0.297 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000049064090 374948754 /nfs/dbraw/zinc/94/87/54/374948754.db2.gz ATJVJQFGXIDCMT-SECBINFHSA-N -1 0 319.339 -0.722 20 0 DBADRM Cn1cc(C(=O)NCC2(O)Cc3ccccc3C2)c(=O)[nH]c1=O ZINC000370937397 374952891 /nfs/dbraw/zinc/95/28/91/374952891.db2.gz UMWYYERYKKPEHR-UHFFFAOYSA-N -1 0 315.329 -0.254 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ccnc(N2CCOCC2)n1 ZINC000625973489 374956704 /nfs/dbraw/zinc/95/67/04/374956704.db2.gz VBXSTUUKXMPRIY-UHFFFAOYSA-N -1 0 305.298 -0.933 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)N(C)C[C@H](C)C(=O)[O-])cn1C ZINC000042702495 374908549 /nfs/dbraw/zinc/90/85/49/374908549.db2.gz FUKTWGDBSAJMDD-QMMMGPOBSA-N -1 0 317.367 -0.274 20 0 DBADRM CCc1cc(=O)[nH]c(CN2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000121182085 375040033 /nfs/dbraw/zinc/04/00/33/375040033.db2.gz WFHJYEVLGPWBMS-SNVBAGLBSA-N -1 0 300.384 -0.132 20 0 DBADRM CS(=O)(=O)[N-]C(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000408486443 375017176 /nfs/dbraw/zinc/01/71/76/375017176.db2.gz JEXWCUPVRBZCOB-WDEREUQCSA-N -1 0 316.379 -0.497 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCC(=O)NCCNC(C)=O ZINC000262770102 375031459 /nfs/dbraw/zinc/03/14/59/375031459.db2.gz LYMOIGZMBNEZLM-JTQLQIEISA-N -1 0 315.370 -0.269 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)CCN1S(C)(=O)=O ZINC000634911302 375072418 /nfs/dbraw/zinc/07/24/18/375072418.db2.gz VPKDHFCLBVDFGW-GUBZILKMSA-N -1 0 318.395 -0.165 20 0 DBADRM O=C([O-])[C@H](C1CC1)[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000635015082 375083058 /nfs/dbraw/zinc/08/30/58/375083058.db2.gz LUWKUBBXGVRHFX-LBPRGKRZSA-N -1 0 309.366 -0.384 20 0 DBADRM CCNC(=O)N1CCN(C(=O)C[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000634855179 375061205 /nfs/dbraw/zinc/06/12/05/375061205.db2.gz AIXVYOZAUWXKOQ-AWEZNQCLSA-N -1 0 313.354 -0.259 20 0 DBADRM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000634856852 375061460 /nfs/dbraw/zinc/06/14/60/375061460.db2.gz BZSGELFTWPWBMX-NXEZZACHSA-N -1 0 318.395 -0.163 20 0 DBADRM C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)N(C)CC(=O)N1CCOCC1 ZINC000634862157 375063177 /nfs/dbraw/zinc/06/31/77/375063177.db2.gz SJRNCQHKGGTBJD-ZJUUUORDSA-N -1 0 302.327 -0.818 20 0 DBADRM CC(C)CS(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000124641599 375068265 /nfs/dbraw/zinc/06/82/65/375068265.db2.gz GLVMFBCQSNJRTR-SECBINFHSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000634893148 375069371 /nfs/dbraw/zinc/06/93/71/375069371.db2.gz GRHWKSJJVBKYPG-BDAKNGLRSA-N -1 0 302.327 -0.820 20 0 DBADRM CC[C@H](CNS(=O)(=O)c1cc(C(N)=O)n(C)c1)CC(=O)[O-] ZINC000147382173 375128667 /nfs/dbraw/zinc/12/86/67/375128667.db2.gz FYVGJESRWBBSAO-QMMMGPOBSA-N -1 0 317.367 -0.097 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2COC[C@@H]2OC)C1 ZINC000635517672 375137966 /nfs/dbraw/zinc/13/79/66/375137966.db2.gz IMJTVRBMZITNCY-GBIKHYSHSA-N -1 0 302.327 -0.467 20 0 DBADRM O=C([O-])COCCNC(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000635525419 375141966 /nfs/dbraw/zinc/14/19/66/375141966.db2.gz YEAQYJJLLTYQLY-CYBMUJFWSA-N -1 0 302.327 -0.321 20 0 DBADRM CC[C@H](NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400101642 375121157 /nfs/dbraw/zinc/12/11/57/375121157.db2.gz BANVOWDORHHZSK-BDAKNGLRSA-N -1 0 307.372 -0.427 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)N1CCC(C)CC1)C(=O)[O-] ZINC000214187551 375196858 /nfs/dbraw/zinc/19/68/58/375196858.db2.gz QKVVVCKRAGCEBA-SECBINFHSA-N -1 0 308.356 -0.431 20 0 DBADRM C[C@@H](NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)C(N)=O ZINC000144632199 375230586 /nfs/dbraw/zinc/23/05/86/375230586.db2.gz YWMIEJDMQCKQQU-ZCFIWIBFSA-N -1 0 303.315 -0.199 20 0 DBADRM C[C@H]1CN(C(=O)NCCNS(C)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000312328886 375324892 /nfs/dbraw/zinc/32/48/92/375324892.db2.gz IRICSZOJKGBUPA-IUCAKERBSA-N -1 0 307.372 -0.712 20 0 DBADRM C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)CCCc1nnn[n-]1 ZINC000635918601 375284642 /nfs/dbraw/zinc/28/46/42/375284642.db2.gz DJZOYPUDCPQKOX-RYUDHWBXSA-N -1 0 308.386 -0.156 20 0 DBADRM CO[C@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2cn(C)nc2C)C1 ZINC000569966432 375326782 /nfs/dbraw/zinc/32/67/82/375326782.db2.gz ARLKRVCURBNDAP-UWVGGRQHSA-N -1 0 317.367 -0.019 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2cnn(C)c2)C[C@@H]1C(=O)[O-] ZINC000569847136 375317247 /nfs/dbraw/zinc/31/72/47/375317247.db2.gz CLQHQJPOOUGCMY-KOLCDFICSA-N -1 0 308.338 -0.395 20 0 DBADRM O=C([O-])C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000360409741 375321679 /nfs/dbraw/zinc/32/16/79/375321679.db2.gz YXPQMMHJRLEZQX-UHFFFAOYSA-N -1 0 306.727 -0.181 20 0 DBADRM NC(=O)C[C@@H](NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-] ZINC000569694374 375256803 /nfs/dbraw/zinc/25/68/03/375256803.db2.gz NSIVDGRKEHJFSB-SNVBAGLBSA-N -1 0 322.383 -0.559 20 0 DBADRM C[C@@H]1CN(C(=O)NCCNS(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC000312328887 375324559 /nfs/dbraw/zinc/32/45/59/375324559.db2.gz IRICSZOJKGBUPA-RKDXNWHRSA-N -1 0 307.372 -0.712 20 0 DBADRM C[C@@H]1CN(C(=O)NCCNS(C)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000312328881 375324810 /nfs/dbraw/zinc/32/48/10/375324810.db2.gz IRICSZOJKGBUPA-BDAKNGLRSA-N -1 0 307.372 -0.712 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cnn2c1OCCC2)C(=O)[O-] ZINC000570088706 375334586 /nfs/dbraw/zinc/33/45/86/375334586.db2.gz MXKGJACRSNHFSI-SSDOTTSWSA-N -1 0 305.312 -0.957 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C[C@H]1CO ZINC000570200213 375340382 /nfs/dbraw/zinc/34/03/82/375340382.db2.gz SIVBDLDFGISHME-WOPDTQHZSA-N -1 0 312.366 -0.214 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCN(CC(F)(F)CO)CC1 ZINC000636135764 375356945 /nfs/dbraw/zinc/35/69/45/375356945.db2.gz ZFYLNJMEPOWIRV-UHFFFAOYSA-N -1 0 318.328 -0.706 20 0 DBADRM CC[C@H](NC(=O)NCCCN(CC)S(C)(=O)=O)C(=O)[O-] ZINC000570423755 375361985 /nfs/dbraw/zinc/36/19/85/375361985.db2.gz KIOWWRUIPUDANX-VIFPVBQESA-N -1 0 309.388 -0.180 20 0 DBADRM CN(C)c1nc(C(=O)N(CC(=O)[O-])C2CCOCC2)cc(=O)[nH]1 ZINC000570515188 375367584 /nfs/dbraw/zinc/36/75/84/375367584.db2.gz ASBJBXZISYWHCS-UHFFFAOYSA-N -1 0 324.337 -0.046 20 0 DBADRM Cc1ccsc1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000570513801 375369490 /nfs/dbraw/zinc/36/94/90/375369490.db2.gz QCEBXQZTYYCXMZ-UHFFFAOYSA-N -1 0 306.365 -0.074 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C3CCC3)C2)C1 ZINC000570674102 375382127 /nfs/dbraw/zinc/38/21/27/375382127.db2.gz YIEVSVBCRKZORH-NWDGAFQWSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C3CCC3)C2)C1 ZINC000570674101 375382810 /nfs/dbraw/zinc/38/28/10/375382810.db2.gz YIEVSVBCRKZORH-NEPJUHHUSA-N -1 0 310.350 -0.053 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)CCC1 ZINC000589682998 375461757 /nfs/dbraw/zinc/46/17/57/375461757.db2.gz XWGNIIBLFPBEHY-GFCCVEGCSA-N -1 0 321.351 -0.507 20 0 DBADRM O=C(c1ccc(O)cc1)N1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000262757833 375463376 /nfs/dbraw/zinc/46/33/76/375463376.db2.gz CCVUURBPGGILGM-CQSZACIVSA-N -1 0 319.361 -0.335 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CO1 ZINC000574916725 375403777 /nfs/dbraw/zinc/40/37/77/375403777.db2.gz CVLFBCUSDUMEKX-JNIYBQFBSA-N -1 0 310.350 -0.007 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N=c1nc(CC(C)C)[n-]s1)C(N)=O ZINC000618347998 375436985 /nfs/dbraw/zinc/43/69/85/375436985.db2.gz YHGUVRKOGBNEHN-QMMMGPOBSA-N -1 0 313.383 -0.523 20 0 DBADRM CCN(C1CC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000175349331 375495890 /nfs/dbraw/zinc/49/58/90/375495890.db2.gz PSYBMAUKJFOJQZ-UHFFFAOYSA-N -1 0 310.335 -0.216 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@H]3CC=CCC3)cc-2c(=O)[n-]1 ZINC000176719935 375501473 /nfs/dbraw/zinc/50/14/73/375501473.db2.gz DDXMDTVEJYJBSU-QMMMGPOBSA-N -1 0 322.346 -0.002 20 0 DBADRM C[N@H+](CCNC(=O)CN1CC(=O)NC1=O)Cc1ccc(F)cc1 ZINC000177048004 375503115 /nfs/dbraw/zinc/50/31/15/375503115.db2.gz VLKXVIGXJNREKA-UHFFFAOYSA-N -1 0 322.340 -0.075 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)CS(=O)(=O)N(C)C)[n-]1 ZINC000590355090 375527595 /nfs/dbraw/zinc/52/75/95/375527595.db2.gz AEJYKRJFQGXVFB-UHFFFAOYSA-N -1 0 304.328 -0.584 20 0 DBADRM O=C(N[C@H]1CCC[C@@H]1CCO)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000187885042 375589453 /nfs/dbraw/zinc/58/94/53/375589453.db2.gz LRIQFOYPSKCRAZ-KCJUWKMLSA-N -1 0 318.333 -0.108 20 0 DBADRM C[C@@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C(=O)[O-] ZINC000318833486 375565827 /nfs/dbraw/zinc/56/58/27/375565827.db2.gz XZDOCYHLKVAKHQ-BXKDBHETSA-N -1 0 309.322 -0.741 20 0 DBADRM Cc1ncc2c(n1)CC[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C2 ZINC000364294636 375612631 /nfs/dbraw/zinc/61/26/31/375612631.db2.gz GPLDTWHQIUXGQE-JTQLQIEISA-N -1 0 315.333 -0.128 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000643150522 375613216 /nfs/dbraw/zinc/61/32/16/375613216.db2.gz AYUMRWHHUJCDDR-LBPRGKRZSA-N -1 0 322.317 -0.377 20 0 DBADRM CC(C)(C)[C@@H](CO)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000192875250 375624399 /nfs/dbraw/zinc/62/43/99/375624399.db2.gz LKBJZJGINFPDJZ-SECBINFHSA-N -1 0 306.322 -0.252 20 0 DBADRM COC(=O)[C@@H](CF)[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000601417027 375606214 /nfs/dbraw/zinc/60/62/14/375606214.db2.gz IHBNSKFQRIZCCT-DTWKUNHWSA-N -1 0 308.331 -0.820 20 0 DBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000601417028 375606405 /nfs/dbraw/zinc/60/64/05/375606405.db2.gz IHBNSKFQRIZCCT-IUCAKERBSA-N -1 0 308.331 -0.820 20 0 DBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000601417026 375607194 /nfs/dbraw/zinc/60/71/94/375607194.db2.gz IHBNSKFQRIZCCT-BDAKNGLRSA-N -1 0 308.331 -0.820 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)[C@@H]1CCCCO1 ZINC000643163770 375650096 /nfs/dbraw/zinc/65/00/96/375650096.db2.gz KPJUHKJMVODXBR-DCAQKATOSA-N -1 0 314.338 -0.628 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2)CCO1 ZINC000643165115 375651656 /nfs/dbraw/zinc/65/16/56/375651656.db2.gz FTBQWOBUMSYYLO-XQQFMLRXSA-N -1 0 318.329 -0.029 20 0 DBADRM CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643159662 375638956 /nfs/dbraw/zinc/63/89/56/375638956.db2.gz YDQASEUGERZCKR-AXFHLTTASA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C(C)C ZINC000643167221 375667998 /nfs/dbraw/zinc/66/79/98/375667998.db2.gz WRJVZXPKAFCFQK-ZJUUUORDSA-N -1 0 302.327 -0.914 20 0 DBADRM CC[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1 ZINC000643168755 375694403 /nfs/dbraw/zinc/69/44/03/375694403.db2.gz BSEKPFQKXCFFLO-GARJFASQSA-N -1 0 314.338 -0.628 20 0 DBADRM CSCCCN(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591569413 375718953 /nfs/dbraw/zinc/71/89/53/375718953.db2.gz DSBAEHXAGQZEOD-SECBINFHSA-N -1 0 304.368 -0.490 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-] ZINC000590899786 375698918 /nfs/dbraw/zinc/69/89/18/375698918.db2.gz OVCMQUYFZBWFRO-NKWVEPMBSA-N -1 0 319.339 -0.026 20 0 DBADRM CSCC[C@@H](C)N(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591568505 375718311 /nfs/dbraw/zinc/71/83/11/375718311.db2.gz PKSJUOIONPISQV-ZJUUUORDSA-N -1 0 318.395 -0.102 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)CCOCC1CCC1 ZINC000592043965 375765674 /nfs/dbraw/zinc/76/56/74/375765674.db2.gz VUOOANQSDKZRAQ-NSHDSACASA-N -1 0 309.384 -0.354 20 0 DBADRM COC[C@@H]([N-]S(=O)(=O)CCOCC1CCC1)C(=O)OC ZINC000592045070 375765772 /nfs/dbraw/zinc/76/57/72/375765772.db2.gz SHIUKLCLXZPRHG-LLVKDONJSA-N -1 0 309.384 -0.090 20 0 DBADRM CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000643173370 375820540 /nfs/dbraw/zinc/82/05/40/375820540.db2.gz MTEMSFCOICJREY-AXFHLTTASA-N -1 0 314.338 -0.629 20 0 DBADRM CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)CSCC(=O)[O-])C1 ZINC000592363545 375799340 /nfs/dbraw/zinc/79/93/40/375799340.db2.gz RMNYHANVCSNCKQ-SECBINFHSA-N -1 0 324.424 -0.267 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NC[C@H](C)C(=O)[O-])cn1C ZINC000054334091 375790122 /nfs/dbraw/zinc/79/01/22/375790122.db2.gz OEZVLEPMMWSOCZ-ZETCQYMHSA-N -1 0 303.340 -0.616 20 0 DBADRM COC(=O)CC1(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])CC1 ZINC000592989806 375841535 /nfs/dbraw/zinc/84/15/35/375841535.db2.gz FXLFWCXKKAJZMS-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000592993029 375842006 /nfs/dbraw/zinc/84/20/06/375842006.db2.gz FSXWLHFLAASHJF-QWRGUYRKSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)C1CCN(C(=O)CN2CCOC[C@H]2C(=O)[O-])CC1 ZINC000592988852 375842114 /nfs/dbraw/zinc/84/21/14/375842114.db2.gz QUVSWJOWTPEOLJ-NSHDSACASA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)c1cn(CCNC(=O)[C@]2(C(=O)[O-])CC=CCC2)nn1 ZINC000593926149 375896860 /nfs/dbraw/zinc/89/68/60/375896860.db2.gz XKFFDIHPCGGQCF-AWEZNQCLSA-N -1 0 322.321 -0.008 20 0 DBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000593919885 375897173 /nfs/dbraw/zinc/89/71/73/375897173.db2.gz CPXJKSJCDDSMBY-QWRGUYRKSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000594536764 375934013 /nfs/dbraw/zinc/93/40/13/375934013.db2.gz FZQSVDLTKNVQII-SECBINFHSA-N -1 0 302.327 -0.471 20 0 DBADRM COC(=O)CC1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000594544879 375934532 /nfs/dbraw/zinc/93/45/32/375934532.db2.gz NRLYYYDQNSFVSN-VIFPVBQESA-N -1 0 314.338 -0.375 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)C[S@](C)=O)C(=O)[O-] ZINC000594530001 375935349 /nfs/dbraw/zinc/93/53/49/375935349.db2.gz OPQYMWKXZAXCKN-ZLVALASMSA-N -1 0 306.384 -0.657 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)NCC1([S@](C)=O)CC1)C(=O)[O-] ZINC000594530752 375935706 /nfs/dbraw/zinc/93/57/06/375935706.db2.gz SVSVMZVFLLTTQF-FPVGNUTFSA-N -1 0 318.395 -0.513 20 0 DBADRM COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000594528161 375935983 /nfs/dbraw/zinc/93/59/83/375935983.db2.gz RHIXOHZZSRKLHO-LURJTMIESA-N -1 0 311.294 -0.115 20 0 DBADRM COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000594528165 375936115 /nfs/dbraw/zinc/93/61/15/375936115.db2.gz RHIXOHZZSRKLHO-ZCFIWIBFSA-N -1 0 311.294 -0.115 20 0 DBADRM CSC1(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])CCOCC1 ZINC000594531061 375936313 /nfs/dbraw/zinc/93/63/13/375936313.db2.gz WDIPVYARKQFOKK-SECBINFHSA-N -1 0 318.395 -0.148 20 0 DBADRM COC(=O)c1c(C)cccc1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000594674815 375940157 /nfs/dbraw/zinc/94/01/57/375940157.db2.gz MPMCGENAQCWGQT-MRVPVSSYSA-N -1 0 317.319 -0.495 20 0 DBADRM CSCCN(CC(=O)[O-])S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000594681981 375940966 /nfs/dbraw/zinc/94/09/66/375940966.db2.gz QZNCRHOVPZPDPX-QMMMGPOBSA-N -1 0 312.413 -0.458 20 0 DBADRM COC(=O)CCCCCS(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000594683980 375941870 /nfs/dbraw/zinc/94/18/70/375941870.db2.gz OKSUNOWJDAROHQ-JTQLQIEISA-N -1 0 323.367 -0.165 20 0 DBADRM CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1ccccc1[O-] ZINC000594767075 375946799 /nfs/dbraw/zinc/94/67/99/375946799.db2.gz BDTRYBKOIIOKFQ-LBPRGKRZSA-N -1 0 303.336 -0.015 20 0 DBADRM COC(=O)C[C@@H](CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])C1CC1 ZINC000595276975 375991430 /nfs/dbraw/zinc/99/14/30/375991430.db2.gz ZRPNNOCOHLQUMC-WPRPVWTQSA-N -1 0 314.338 -0.471 20 0 DBADRM CCOC(=O)[C@H](N)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000595953854 376050484 /nfs/dbraw/zinc/05/04/84/376050484.db2.gz NFLMIVSPQASPNG-SECBINFHSA-N -1 0 306.282 -0.803 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000595237513 375984685 /nfs/dbraw/zinc/98/46/85/375984685.db2.gz FQGIFNFDJKNTND-QMMMGPOBSA-N -1 0 321.289 -0.260 20 0 DBADRM COC(=O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000596724068 376095937 /nfs/dbraw/zinc/09/59/37/376095937.db2.gz ZWGMEJRMZCHXAN-UHFFFAOYSA-N -1 0 302.308 -0.668 20 0 DBADRM CCOC(=O)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000596841649 376100351 /nfs/dbraw/zinc/10/03/51/376100351.db2.gz JHPZFZUQDDWEAJ-UHFFFAOYSA-N -1 0 302.308 -0.668 20 0 DBADRM COC(=O)c1cn(CCNC(=O)[C@]2(C(=O)[O-])CC2(C)C)nn1 ZINC000596000533 376058904 /nfs/dbraw/zinc/05/89/04/376058904.db2.gz ZBKWDKWLUXSPPK-ZDUSSCGKSA-N -1 0 310.310 -0.318 20 0 DBADRM COC(=O)c1oc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1C ZINC000596036029 376065996 /nfs/dbraw/zinc/06/59/96/376065996.db2.gz VRFHPIQNALFHOL-UHFFFAOYSA-N -1 0 321.307 -0.558 20 0 DBADRM COC(=O)c1oc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1C ZINC000596032027 376066306 /nfs/dbraw/zinc/06/63/06/376066306.db2.gz JGIJWOMFKPAWKB-LURJTMIESA-N -1 0 307.280 -0.902 20 0 DBADRM COC(=O)c1cn(CCNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)nn1 ZINC000595999282 376066902 /nfs/dbraw/zinc/06/69/02/376066902.db2.gz LRCGMJWAKHIZKU-VIFPVBQESA-N -1 0 312.326 -0.072 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@](C)(OC)C(=O)[O-])C[C@H]1C ZINC000595999244 376066979 /nfs/dbraw/zinc/06/69/79/376066979.db2.gz KTMKJRXDVGHHRY-YGRLFVJLSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)c1oc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1C ZINC000596034721 376067117 /nfs/dbraw/zinc/06/71/17/376067117.db2.gz JGIJWOMFKPAWKB-ZCFIWIBFSA-N -1 0 307.280 -0.902 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000596128574 376072955 /nfs/dbraw/zinc/07/29/55/376072955.db2.gz LKCCLZLVEZPMQC-JTQLQIEISA-N -1 0 314.338 -0.327 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000243595163 376083349 /nfs/dbraw/zinc/08/33/49/376083349.db2.gz ORYPEMIPZMXJRS-UHFFFAOYSA-N -1 0 307.218 -0.608 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N(C)C[C@H](C)c1nnn[n-]1)C(C)=O ZINC000597504468 376139864 /nfs/dbraw/zinc/13/98/64/376139864.db2.gz KWPCJOVDLMRAFQ-WCBMZHEXSA-N -1 0 311.342 -0.080 20 0 DBADRM Cn1cc(C[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C2)cn1 ZINC000531440032 376158178 /nfs/dbraw/zinc/15/81/78/376158178.db2.gz LEPYDCRRJSXAMD-JTQLQIEISA-N -1 0 317.349 -0.076 20 0 DBADRM COC(=O)[C@@H](CF)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597654633 376160142 /nfs/dbraw/zinc/16/01/42/376160142.db2.gz BILLXSMTGDMONZ-MRVPVSSYSA-N -1 0 320.298 -0.720 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000054334097 376213320 /nfs/dbraw/zinc/21/33/20/376213320.db2.gz BPPXUHRJZMDELM-NXEZZACHSA-N -1 0 322.383 -0.183 20 0 DBADRM COC(=O)[C@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599007068 376235067 /nfs/dbraw/zinc/23/50/67/376235067.db2.gz KQRHESVNZKYQQY-ZETCQYMHSA-N -1 0 301.324 -0.256 20 0 DBADRM COCC[C@](C)(O)C[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599239408 376256996 /nfs/dbraw/zinc/25/69/96/376256996.db2.gz BVLJKUAZZNEDKD-NSHDSACASA-N -1 0 322.339 -0.473 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC(=O)NC(C)C)on1 ZINC000599207898 376257068 /nfs/dbraw/zinc/25/70/68/376257068.db2.gz SYNNIRJQZQDMPT-UHFFFAOYSA-N -1 0 305.312 -0.736 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCNC(=O)C2CC2)on1 ZINC000599207245 376257102 /nfs/dbraw/zinc/25/71/02/376257102.db2.gz SZDNOIXJSNYMLR-UHFFFAOYSA-N -1 0 317.323 -0.734 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)Cn2cncn2)on1 ZINC000599232957 376262226 /nfs/dbraw/zinc/26/22/26/376262226.db2.gz QILKDSAKNYHVDD-SSDOTTSWSA-N -1 0 315.311 -0.580 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](C)C(=O)OC)on1 ZINC000599259001 376267184 /nfs/dbraw/zinc/26/71/84/376267184.db2.gz RGJODZZMRBXAIL-ZCFIWIBFSA-N -1 0 306.296 -0.451 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC(=O)NCC2CC2)on1 ZINC000599274499 376269223 /nfs/dbraw/zinc/26/92/23/376269223.db2.gz VEBUWJFQPZNALB-UHFFFAOYSA-N -1 0 317.323 -0.734 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C(=O)NCC[C@@H]2C)on1 ZINC000599300448 376272218 /nfs/dbraw/zinc/27/22/18/376272218.db2.gz YWIHQGMQMOCQQQ-RCOVLWMOSA-N -1 0 317.323 -0.736 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](O)C2)on1 ZINC000599289075 376276341 /nfs/dbraw/zinc/27/63/41/376276341.db2.gz QTBKFHJFGSIRLN-HTQZYQBOSA-N -1 0 304.324 -0.100 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](O)C2)on1 ZINC000599289077 376276349 /nfs/dbraw/zinc/27/63/49/376276349.db2.gz QTBKFHJFGSIRLN-SFYZADRCSA-N -1 0 304.324 -0.100 20 0 DBADRM CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599290357 376277291 /nfs/dbraw/zinc/27/72/91/376277291.db2.gz UBRPXRQUHMKVFY-ZETCQYMHSA-N -1 0 319.339 -0.394 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@]2(O)CCO[C@H]2C)on1 ZINC000599292698 376277728 /nfs/dbraw/zinc/27/77/28/376277728.db2.gz LDHNGWWHYBIECS-CPCISQLKSA-N -1 0 320.323 -0.721 20 0 DBADRM COC(=O)[C@]1(OC)CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000599561926 376311830 /nfs/dbraw/zinc/31/18/30/376311830.db2.gz DNEINNHZWMAFPJ-AWEZNQCLSA-N -1 0 306.322 -0.214 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599752562 376333491 /nfs/dbraw/zinc/33/34/91/376333491.db2.gz PYEHGEWURMQARG-WPCRTTGESA-N -1 0 319.408 -0.050 20 0 DBADRM O=C(CCN1C(=O)COc2ccccc21)NCc1nnn[n-]1 ZINC000599334423 376283346 /nfs/dbraw/zinc/28/33/46/376283346.db2.gz MCKVAKCEOSHJGH-UHFFFAOYSA-N -1 0 302.294 -0.368 20 0 DBADRM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1nnn[n-]1 ZINC000599334639 376283844 /nfs/dbraw/zinc/28/38/44/376283844.db2.gz OFHLHOCWLPTMPK-IUCAKERBSA-N -1 0 306.326 -0.619 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000599377481 376284834 /nfs/dbraw/zinc/28/48/34/376284834.db2.gz UFHUGYRUBBYMNS-UHFFFAOYSA-N -1 0 310.277 -0.381 20 0 DBADRM O=C(CCn1nnc2ccccc2c1=O)NCc1nnn[n-]1 ZINC000599334746 376286039 /nfs/dbraw/zinc/28/60/39/376286039.db2.gz SAELDYIYRUBFMN-UHFFFAOYSA-N -1 0 300.282 -0.989 20 0 DBADRM COc1ccccc1N1C[C@H](C(=O)NCc2nnn[n-]2)CC1=O ZINC000599377744 376287239 /nfs/dbraw/zinc/28/72/39/376287239.db2.gz ZKAWDBICSKUAFL-SECBINFHSA-N -1 0 316.321 -0.122 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@H](C(N)=O)C2)on1 ZINC000599416065 376288665 /nfs/dbraw/zinc/28/86/65/376288665.db2.gz BEYDLRIGLQGTKE-IZLXSQMJSA-N -1 0 303.296 -0.997 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)on1 ZINC000599392019 376291311 /nfs/dbraw/zinc/29/13/11/376291311.db2.gz OXVKNLYWICFLPS-BDAKNGLRSA-N -1 0 320.323 -0.721 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CCCO1 ZINC000061918202 376402442 /nfs/dbraw/zinc/40/24/42/376402442.db2.gz UTEFLBMXDDWZLM-SECBINFHSA-N -1 0 303.340 -0.233 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)S[C@H](C)C(=O)[O-])CCO1 ZINC000601997114 376403265 /nfs/dbraw/zinc/40/32/65/376403265.db2.gz JTUGMUJUQFOZHS-IQJOONFLSA-N -1 0 318.395 -0.055 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)CCS1(=O)=O ZINC000333607437 304196939 /nfs/dbraw/zinc/19/69/39/304196939.db2.gz RJZMLHMFAKSCQY-UTINFBMNSA-N -1 0 302.352 -0.322 20 0 DBADRM O=C(NCCN1CCN(C(=O)C2CCC2)CC1)c1n[nH]c(=O)[n-]1 ZINC000602949810 376494234 /nfs/dbraw/zinc/49/42/34/376494234.db2.gz UQJGOSPKOGUQPT-UHFFFAOYSA-N -1 0 322.369 -0.816 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-][C@@H](CC(F)F)C(=O)OC)OC ZINC000603299224 376544088 /nfs/dbraw/zinc/54/40/88/376544088.db2.gz HYCNRJAKMFQKKP-YUMQZZPRSA-N -1 0 319.326 -0.236 20 0 DBADRM CCCN(CCC)S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-] ZINC000071337482 376611116 /nfs/dbraw/zinc/61/11/16/376611116.db2.gz KNJVUMBFRTXNBV-VIFPVBQESA-N -1 0 310.372 -0.041 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000055311196 376618796 /nfs/dbraw/zinc/61/87/96/376618796.db2.gz FDIIEZJBNSFDIU-ZETCQYMHSA-N -1 0 323.348 -0.248 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000313603135 376640421 /nfs/dbraw/zinc/64/04/21/376640421.db2.gz BNFPTWHWHRETFG-CMPLNLGQSA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1cnn(C)c1 ZINC000313994929 376641970 /nfs/dbraw/zinc/64/19/70/376641970.db2.gz SAUKCXXMFYDFPN-MRVPVSSYSA-N -1 0 313.339 -0.259 20 0 DBADRM CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)CC1=O ZINC000313952363 376643232 /nfs/dbraw/zinc/64/32/32/376643232.db2.gz KFNROOWKAJMRJR-UHFFFAOYSA-N -1 0 316.310 -0.013 20 0 DBADRM O=C(CN1CCOC[C@@H]1C(=O)[O-])NC(=O)NC1CCCCC1 ZINC000316284005 376689415 /nfs/dbraw/zinc/68/94/15/376689415.db2.gz YMLCETHXVVEJTG-LLVKDONJSA-N -1 0 313.354 -0.070 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)C(=O)[O-] ZINC000316673967 376695923 /nfs/dbraw/zinc/69/59/23/376695923.db2.gz UNNIVOWWJPRZTL-SSDLBLMSSA-N -1 0 307.262 -0.474 20 0 DBADRM COCCN(CCOC)C(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000317095543 376701156 /nfs/dbraw/zinc/70/11/56/376701156.db2.gz BLZQUCSBDUVMKN-NSHDSACASA-N -1 0 314.342 -0.150 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cc(N2CCNC2=O)ccc1F ZINC000606370019 376742820 /nfs/dbraw/zinc/74/28/20/376742820.db2.gz AGDKMYPVGDZHJT-UHFFFAOYSA-N -1 0 305.273 -0.202 20 0 DBADRM CC(=O)NCCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000355492863 376747265 /nfs/dbraw/zinc/74/72/65/376747265.db2.gz NAYLKMCDHOLGHK-UHFFFAOYSA-N -1 0 304.299 -0.062 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(=O)NC(C)(C)C)cc1C(=O)[O-] ZINC000106201805 376778064 /nfs/dbraw/zinc/77/80/64/376778064.db2.gz JBHHNWTVJUOUOR-UHFFFAOYSA-N -1 0 317.367 -0.084 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N1CCC[C@@H]1C(=O)[O-])n1cccn1 ZINC000262108737 376767789 /nfs/dbraw/zinc/76/77/89/376767789.db2.gz KEFTWZGFIQZOBC-WDEREUQCSA-N -1 0 308.338 -0.022 20 0 DBADRM O=C([O-])CCCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000262134271 376772640 /nfs/dbraw/zinc/77/26/40/376772640.db2.gz KVJBJNBDPUNPEZ-UHFFFAOYSA-N -1 0 313.335 -0.535 20 0 DBADRM CN(CC(=O)NCCC(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000262270922 376793762 /nfs/dbraw/zinc/79/37/62/376793762.db2.gz UTQYMKSAQOKZFG-UHFFFAOYSA-N -1 0 300.336 -0.102 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000063142271 376809701 /nfs/dbraw/zinc/80/97/01/376809701.db2.gz BPYOHMYIWLBQBA-JTQLQIEISA-N -1 0 321.376 -0.224 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000262381268 376845713 /nfs/dbraw/zinc/84/57/13/376845713.db2.gz YUCHXRWQEOZNNO-LLVKDONJSA-N -1 0 310.281 -0.133 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000261830623 304200458 /nfs/dbraw/zinc/20/04/58/304200458.db2.gz BEQPPVACZXKWIM-SNVBAGLBSA-N -1 0 306.274 -0.057 20 0 DBADRM CN(C)c1nccc(N2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)n1 ZINC000606932776 376896060 /nfs/dbraw/zinc/89/60/60/376896060.db2.gz SJNFKWPMSDUPBA-UHFFFAOYSA-N -1 0 318.341 -0.671 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)c2cn(C)c(=O)[nH]c2=O)c1 ZINC000339061761 377016015 /nfs/dbraw/zinc/01/60/15/377016015.db2.gz LXYXFPOEKTTWTG-UHFFFAOYSA-N -1 0 316.317 -0.225 20 0 DBADRM Cc1ncc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)s1 ZINC000339070935 377016127 /nfs/dbraw/zinc/01/61/27/377016127.db2.gz LSARBZQBBMPEBU-UHFFFAOYSA-N -1 0 301.353 -0.066 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC(=O)NC2)c(C)o1 ZINC000339046230 377016225 /nfs/dbraw/zinc/01/62/25/377016225.db2.gz ZFLMEUVZXGAENR-MRVPVSSYSA-N -1 0 316.335 -0.068 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000568003167 377031488 /nfs/dbraw/zinc/03/14/88/377031488.db2.gz YDRWGBSFBQDIQY-ZDCRXTMVSA-N -1 0 307.368 -0.037 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000262591006 377033338 /nfs/dbraw/zinc/03/33/38/377033338.db2.gz HSIHGZSYGCWLRL-GHMZBOCLSA-N -1 0 319.317 -0.208 20 0 DBADRM O=C([O-])CNC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 ZINC000262597365 377036098 /nfs/dbraw/zinc/03/60/98/377036098.db2.gz JDIBCOFASNVBDJ-UHFFFAOYSA-N -1 0 305.290 -0.047 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)C(=O)N1CCC(C(F)(F)F)CC1 ZINC000338839534 376984557 /nfs/dbraw/zinc/98/45/57/376984557.db2.gz SVIBTOZYOCZNRI-UHFFFAOYSA-N -1 0 321.259 -0.073 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)CC[C@H]2CCOC2)CCOC1 ZINC000338928278 376993838 /nfs/dbraw/zinc/99/38/38/376993838.db2.gz FUSZSMPZTZYQRR-ZYHUDNBSSA-N -1 0 307.368 -0.336 20 0 DBADRM CCS(=O)(=O)NCC(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000338915202 376994118 /nfs/dbraw/zinc/99/41/18/376994118.db2.gz OORPBMNNXFESBO-ZCFIWIBFSA-N -1 0 308.385 -0.455 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)[C@@H](O)Cc2cnn(C)c2)s[n-]1 ZINC000338931044 376995491 /nfs/dbraw/zinc/99/54/91/376995491.db2.gz YNZXVICWMIWYPT-APPZFPTMSA-N -1 0 311.367 -0.057 20 0 DBADRM COCCN(C)S(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000338991999 377000611 /nfs/dbraw/zinc/00/06/11/377000611.db2.gz GNYMTUJZACYWGO-SECBINFHSA-N -1 0 319.387 -0.487 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000531745003 377082033 /nfs/dbraw/zinc/08/20/33/377082033.db2.gz UBGZLBJHZGZDTC-MRVPVSSYSA-N -1 0 300.336 -0.144 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000402532945 377088328 /nfs/dbraw/zinc/08/83/28/377088328.db2.gz RXXYZOCZFCQLEY-SECBINFHSA-N -1 0 313.339 -0.136 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000402532946 377088601 /nfs/dbraw/zinc/08/86/01/377088601.db2.gz RXXYZOCZFCQLEY-VIFPVBQESA-N -1 0 313.339 -0.136 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000262881971 377101520 /nfs/dbraw/zinc/10/15/20/377101520.db2.gz LQSZAXGZYCZSOZ-JTQLQIEISA-N -1 0 300.336 -0.652 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000262891480 377102176 /nfs/dbraw/zinc/10/21/76/377102176.db2.gz ALNGLQNXBQRUGN-BDAKNGLRSA-N -1 0 322.383 -0.849 20 0 DBADRM COC[C@](C)(NC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-] ZINC000262988647 377106693 /nfs/dbraw/zinc/10/66/93/377106693.db2.gz SDXCBDSEMBSLCK-VIFPVBQESA-N -1 0 300.233 -0.339 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)CC(=O)NCC(F)(F)F ZINC000263271711 377191194 /nfs/dbraw/zinc/19/11/94/377191194.db2.gz IEHOHLZECBMOMI-SSDOTTSWSA-N -1 0 312.244 -0.243 20 0 DBADRM CN(CC(=O)[O-])C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000263164086 377139947 /nfs/dbraw/zinc/13/99/47/377139947.db2.gz ZEFOBQHGDMNPLA-UHFFFAOYSA-N -1 0 320.099 -0.746 20 0 DBADRM Cc1nc(N2CCO[C@H](CC(=O)[O-])C2)sc1S(N)(=O)=O ZINC000571093215 377142910 /nfs/dbraw/zinc/14/29/10/377142910.db2.gz IJJVIAPZVGYDDD-SSDOTTSWSA-N -1 0 321.380 -0.221 20 0 DBADRM Cc1nc(=NC(=O)c2cc(S(N)(=O)=O)cn2C)s[n-]1 ZINC000339903440 377149026 /nfs/dbraw/zinc/14/90/26/377149026.db2.gz STOWVRGMCYBZBU-UHFFFAOYSA-N -1 0 301.353 -0.493 20 0 DBADRM Cc1nccn1CCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000052191080 377207872 /nfs/dbraw/zinc/20/78/72/377207872.db2.gz BYNXTGIIVHWVCJ-UHFFFAOYSA-N -1 0 314.305 -0.041 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)C[C@H](OC)C2CC2)CCOC1 ZINC000571399777 377217732 /nfs/dbraw/zinc/21/77/32/377217732.db2.gz FZCIHXLZYVJCGX-CMPLNLGQSA-N -1 0 307.368 -0.337 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])C2CC2)o1 ZINC000262184515 377267878 /nfs/dbraw/zinc/26/78/78/377267878.db2.gz SQHFZFLOMCOVEX-SECBINFHSA-N -1 0 302.308 -0.219 20 0 DBADRM CNC(=O)[C@H]1CN(CC(=O)NCC(=O)[O-])c2ccccc2O1 ZINC000262178575 377268029 /nfs/dbraw/zinc/26/80/29/377268029.db2.gz FDJJNEOMEURFDN-LLVKDONJSA-N -1 0 307.306 -0.799 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)Cc1cccc(F)c1 ZINC000571507980 377243613 /nfs/dbraw/zinc/24/36/13/377243613.db2.gz DNWOGTYJLMPJQQ-UHFFFAOYSA-N -1 0 318.326 -0.164 20 0 DBADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000261700977 377259534 /nfs/dbraw/zinc/25/95/34/377259534.db2.gz OGTYUMOJIJOYAR-MRVPVSSYSA-N -1 0 311.323 -0.244 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000262032951 377264648 /nfs/dbraw/zinc/26/46/48/377264648.db2.gz BGMBERQAAFSICV-PRHODGIISA-N -1 0 302.352 -0.342 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CCOC1 ZINC000262251202 377270113 /nfs/dbraw/zinc/27/01/13/377270113.db2.gz XTBKYBAJIURASL-BONVTDFDSA-N -1 0 322.317 -0.012 20 0 DBADRM CN(CC(=O)NC[C@H](C(=O)[O-])c1ccccc1)S(C)(=O)=O ZINC000262409523 377272140 /nfs/dbraw/zinc/27/21/40/377272140.db2.gz BEIWLXYKSMATGU-NSHDSACASA-N -1 0 314.363 -0.138 20 0 DBADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000262450074 377275266 /nfs/dbraw/zinc/27/52/66/377275266.db2.gz JPDWAYDOGCSSSF-SSDOTTSWSA-N -1 0 322.364 -0.421 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)Cc1ccon1 ZINC000262434555 377276162 /nfs/dbraw/zinc/27/61/62/377276162.db2.gz OXHGWFRFLQNTRJ-QMMMGPOBSA-N -1 0 319.339 -0.584 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000263069477 377281565 /nfs/dbraw/zinc/28/15/65/377281565.db2.gz ZJPLVZVDONPBJK-MRVPVSSYSA-N -1 0 313.335 -0.537 20 0 DBADRM COC[C@H](CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1)OC ZINC000626408562 377283389 /nfs/dbraw/zinc/28/33/89/377283389.db2.gz ALGBWIIWPOLYHM-JTQLQIEISA-N -1 0 317.367 -0.156 20 0 DBADRM CO[C@@H](CNC(=O)c1ccccc1OCC(=O)N(C)C)C(=O)[O-] ZINC000263129082 377284773 /nfs/dbraw/zinc/28/47/73/377284773.db2.gz SQLOLZOPHMDYNW-LBPRGKRZSA-N -1 0 324.333 -0.017 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000263874973 377296955 /nfs/dbraw/zinc/29/69/55/377296955.db2.gz JSHPQDTWVASYPR-CRCLSJGQSA-N -1 0 320.352 -0.343 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C(=O)[O-])ccc1F ZINC000269419784 377398241 /nfs/dbraw/zinc/39/82/41/377398241.db2.gz YZOBMPHICJZZMT-LURJTMIESA-N -1 0 304.299 -0.063 20 0 DBADRM C[C@@H](CO)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269165720 377384671 /nfs/dbraw/zinc/38/46/71/377384671.db2.gz WQJUTXWSURKXEI-YFKPBYRVSA-N -1 0 300.296 -0.905 20 0 DBADRM C[C@@H](O)CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269782710 377421107 /nfs/dbraw/zinc/42/11/07/377421107.db2.gz PBZBFCLILFXMQY-ZCFIWIBFSA-N -1 0 314.323 -0.515 20 0 DBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@]1(O)CCOC1 ZINC000270053829 377433774 /nfs/dbraw/zinc/43/37/74/377433774.db2.gz GFHALBLGRDAPAS-ZDUSSCGKSA-N -1 0 314.363 -0.061 20 0 DBADRM Cc1cc(C(=O)NC[C@@]2(O)CCOC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000270138529 377436368 /nfs/dbraw/zinc/43/63/68/377436368.db2.gz URXIASMYEASELA-AWEZNQCLSA-N -1 0 320.305 -0.374 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000607427189 377467864 /nfs/dbraw/zinc/46/78/64/377467864.db2.gz NHFOTOBTIHKHFT-UHFFFAOYSA-N -1 0 300.200 -0.128 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC(=O)[N-]OC2CCCC2)c1 ZINC000271771570 377508077 /nfs/dbraw/zinc/50/80/77/377508077.db2.gz FYVAXKZAJROIJQ-UHFFFAOYSA-N -1 0 302.356 -0.311 20 0 DBADRM O=S(=O)(c1nc2ccccc2[n-]1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000271093176 377482638 /nfs/dbraw/zinc/48/26/38/377482638.db2.gz UXGNXCUDKRFEIY-ZJUUUORDSA-N -1 0 316.360 -0.506 20 0 DBADRM COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)[N-]OCC(N)=O)cc1 ZINC000271353177 377493759 /nfs/dbraw/zinc/49/37/59/377493759.db2.gz FHDXBPZKPYKCKN-YVFTVSHDSA-N -1 0 321.333 -0.254 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000348841945 296261999 /nfs/dbraw/zinc/26/19/99/296261999.db2.gz CDGDJRVBVRYEDW-MRVPVSSYSA-N -1 0 302.290 -0.010 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000274807018 377529806 /nfs/dbraw/zinc/52/98/06/377529806.db2.gz POWIJVYLEODZRJ-SCZZXKLOSA-N -1 0 309.322 -0.100 20 0 DBADRM C[C@H](CNS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-] ZINC000274959233 377533013 /nfs/dbraw/zinc/53/30/13/377533013.db2.gz URXCTCCVPTXNGJ-BDAKNGLRSA-N -1 0 303.340 -0.157 20 0 DBADRM COC[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@@H](C)O1 ZINC000276080308 377546361 /nfs/dbraw/zinc/54/63/61/377546361.db2.gz UUZUTWYLKLRQTG-SFYZADRCSA-N -1 0 302.356 -0.548 20 0 DBADRM COC(=O)[C@@]1(NC(=O)c2cnc([O-])n(C)c2=O)CCSC1 ZINC000270696842 291676467 /nfs/dbraw/zinc/67/64/67/291676467.db2.gz VMXIZSBHVIKJME-GFCCVEGCSA-N -1 0 313.335 -0.736 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1ccn(CC(N)=O)n1 ZINC000277193727 377586852 /nfs/dbraw/zinc/58/68/52/377586852.db2.gz OVTCSIPPXQQUQD-UHFFFAOYSA-N -1 0 321.259 -0.236 20 0 DBADRM CC(C)CCC(=O)NCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000277456193 377595564 /nfs/dbraw/zinc/59/55/64/377595564.db2.gz KEGFULKETGLHDO-UHFFFAOYSA-N -1 0 321.399 -0.879 20 0 DBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)C1CCSCC1 ZINC000333617996 304207881 /nfs/dbraw/zinc/20/78/81/304207881.db2.gz SZTBEGHEHSDLOQ-MRVPVSSYSA-N -1 0 312.351 -0.078 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)Cc1ccon1)C(=O)[O-] ZINC000278190625 377617251 /nfs/dbraw/zinc/61/72/51/377617251.db2.gz RIBJLBYSLDEZCJ-VIFPVBQESA-N -1 0 320.323 -0.110 20 0 DBADRM Cc1ccc(OCC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000277841677 377608851 /nfs/dbraw/zinc/60/88/51/377608851.db2.gz ZXTFJGOMARRJPO-UHFFFAOYSA-N -1 0 314.363 -0.044 20 0 DBADRM CO[C@@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H]1OC ZINC000277947024 377612470 /nfs/dbraw/zinc/61/24/70/377612470.db2.gz SVMMJNMLLPNYFI-AOOOYVTPSA-N -1 0 320.305 -0.078 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)CCc1ccccc1 ZINC000278321562 377617969 /nfs/dbraw/zinc/61/79/69/377617969.db2.gz UEDVHMYXFJSULQ-UHFFFAOYSA-N -1 0 314.363 -0.261 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2cccc(OCC(N)=O)c2)c1[O-] ZINC000278040189 377614678 /nfs/dbraw/zinc/61/46/78/377614678.db2.gz LDBUPOICAKZEDO-NSHDSACASA-N -1 0 321.289 -0.461 20 0 DBADRM CN(C)c1cccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000278552963 377625123 /nfs/dbraw/zinc/62/51/23/377625123.db2.gz GUBYCILOGRAFOE-UHFFFAOYSA-N -1 0 313.379 -0.052 20 0 DBADRM Cc1cccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1O ZINC000278647901 377626662 /nfs/dbraw/zinc/62/66/62/377626662.db2.gz OMTYGHQUTKSMMW-UHFFFAOYSA-N -1 0 300.336 -0.104 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])C1 ZINC000088376978 297360263 /nfs/dbraw/zinc/36/02/63/297360263.db2.gz PVGAORWVZQHXMJ-OUAUKWLOSA-N -1 0 306.384 -0.006 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000279061963 377642090 /nfs/dbraw/zinc/64/20/90/377642090.db2.gz SDJOFWAPZZQXDR-BQBZGAKWSA-N -1 0 314.260 -0.660 20 0 DBADRM CS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c1 ZINC000279369908 377652133 /nfs/dbraw/zinc/65/21/33/377652133.db2.gz WZTPVDZGZBCECN-JTQLQIEISA-N -1 0 319.360 -0.062 20 0 DBADRM C[C@H](CN1CCOCC1)N(C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000279346756 377652265 /nfs/dbraw/zinc/65/22/65/377652265.db2.gz QNUNGPXUWMRHCN-SECBINFHSA-N -1 0 315.399 -0.631 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000279698638 377664195 /nfs/dbraw/zinc/66/41/95/377664195.db2.gz JFRFEJMLLYJQPN-SFYZADRCSA-N -1 0 324.303 -0.041 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000279698639 377665130 /nfs/dbraw/zinc/66/51/30/377665130.db2.gz JFRFEJMLLYJQPN-YUMQZZPRSA-N -1 0 324.303 -0.041 20 0 DBADRM COCCS(=O)(=O)[N-]c1cc(F)cc(S(N)(=O)=O)c1 ZINC000042811129 183311531 /nfs/dbraw/zinc/31/15/31/183311531.db2.gz OAYPZRWMXKSNIC-UHFFFAOYSA-N -1 0 312.344 -0.139 20 0 DBADRM COCCS(=O)(=O)[N-]c1ccc(S(N)(=O)=O)c(F)c1 ZINC000042809798 183311695 /nfs/dbraw/zinc/31/16/95/183311695.db2.gz DGZNBQVVBMPCTI-UHFFFAOYSA-N -1 0 312.344 -0.139 20 0 DBADRM Cc1cc2ncc(C(=O)NCCc3nc(=O)o[n-]3)c(C)n2n1 ZINC000280000411 377674871 /nfs/dbraw/zinc/67/48/71/377674871.db2.gz BQQBHGUORKCLQW-UHFFFAOYSA-N -1 0 302.294 -0.005 20 0 DBADRM C[C@@H](NC(=O)c1cccs1)C(=O)NCCc1nc(=O)o[n-]1 ZINC000280060452 377676383 /nfs/dbraw/zinc/67/63/83/377676383.db2.gz ILHAXMBONFRBMF-SSDOTTSWSA-N -1 0 310.335 -0.098 20 0 DBADRM COC(=O)COc1cccc(C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000280087938 377676641 /nfs/dbraw/zinc/67/66/41/377676641.db2.gz LFTPSPZCNSYIIN-UHFFFAOYSA-N -1 0 321.289 -0.113 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000280107935 377679504 /nfs/dbraw/zinc/67/95/04/377679504.db2.gz YLEJAFJLXLTKBS-ZETCQYMHSA-N -1 0 322.364 -0.516 20 0 DBADRM C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nc(=O)o[n-]1 ZINC000280235858 377681415 /nfs/dbraw/zinc/68/14/15/377681415.db2.gz XZWUGWFDMOFFHO-SSDOTTSWSA-N -1 0 300.315 -0.065 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)[N-]OC[C@@H]2CCOC2)c(=O)c1 ZINC000280354693 377687996 /nfs/dbraw/zinc/68/79/96/377687996.db2.gz CAPAWIOGDVSTSV-IUODEOHRSA-N -1 0 310.350 -0.008 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1nc(Cl)cs1 ZINC000282384215 377777199 /nfs/dbraw/zinc/77/71/99/377777199.db2.gz YWIKHMQHBWEIOE-UHFFFAOYSA-N -1 0 311.772 -0.008 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC000281852046 377752328 /nfs/dbraw/zinc/75/23/28/377752328.db2.gz NAZGOHUEGZMVKJ-RXMQYKEDSA-N -1 0 324.259 -0.810 20 0 DBADRM COc1cncc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000281957635 377758474 /nfs/dbraw/zinc/75/84/74/377758474.db2.gz SQWWOVLNXCXQQU-SNVBAGLBSA-N -1 0 302.308 -0.436 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(C2CC2)on1 ZINC000282044778 377760470 /nfs/dbraw/zinc/76/04/70/377760470.db2.gz LHOZHVBXHUPIOP-UHFFFAOYSA-N -1 0 301.324 -0.252 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C1Cc2ccccc2C1 ZINC000282267582 377770206 /nfs/dbraw/zinc/77/02/06/377770206.db2.gz PPGBRGGCXQPEFR-UHFFFAOYSA-N -1 0 310.375 -0.017 20 0 DBADRM CN(CC(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000340175268 377834328 /nfs/dbraw/zinc/83/43/28/377834328.db2.gz DEPKQGAJVRFWTK-UHFFFAOYSA-N -1 0 313.291 -0.254 20 0 DBADRM Cc1ccc(CS(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000289693206 377887176 /nfs/dbraw/zinc/88/71/76/377887176.db2.gz LXRBOZHZKBTNNQ-UHFFFAOYSA-N -1 0 300.336 -0.385 20 0 DBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cn(C)nn1 ZINC000291901334 377939221 /nfs/dbraw/zinc/93/92/21/377939221.db2.gz KBZRXYJJPLGUOO-UHFFFAOYSA-N -1 0 301.310 -0.302 20 0 DBADRM CC(C)(CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)OCCO ZINC000292158964 377945117 /nfs/dbraw/zinc/94/51/17/377945117.db2.gz UXYCJVCPCMVNNA-UHFFFAOYSA-N -1 0 322.321 -0.047 20 0 DBADRM COCCS(=O)(=O)[N-]c1cc2c(cc1O)n(C)c(=O)n2C ZINC000290469667 377905535 /nfs/dbraw/zinc/90/55/35/377905535.db2.gz GLUFCVNPUCLZAE-UHFFFAOYSA-N -1 0 315.351 -0.029 20 0 DBADRM COc1cc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)ncn1 ZINC000340505070 378009210 /nfs/dbraw/zinc/00/92/10/378009210.db2.gz LPCPPBKNDRRVAQ-UHFFFAOYSA-N -1 0 311.323 -0.277 20 0 DBADRM CC[C@@H](C)[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000340517669 378014936 /nfs/dbraw/zinc/01/49/36/378014936.db2.gz FIIOSBTYQPIVMP-BDAKNGLRSA-N -1 0 315.413 -0.160 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)N[C@@H]1CC(=O)N(C)C1=O ZINC000295994592 378016906 /nfs/dbraw/zinc/01/69/06/378016906.db2.gz LTRYYZKHVOHRKM-MRVPVSSYSA-N -1 0 317.392 -0.329 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263575609 377974432 /nfs/dbraw/zinc/97/44/32/377974432.db2.gz PIARQMZFJVMRGL-GFCCVEGCSA-N -1 0 308.334 -0.097 20 0 DBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1F ZINC000340454004 377985693 /nfs/dbraw/zinc/98/56/93/377985693.db2.gz CZYNXQDJQLBGKY-UHFFFAOYSA-N -1 0 311.312 -0.408 20 0 DBADRM CC(C)(CCC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O ZINC000340456125 377987381 /nfs/dbraw/zinc/98/73/81/377987381.db2.gz XSHDMEIKOJBREJ-UHFFFAOYSA-N -1 0 315.413 -0.016 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000294631427 377995922 /nfs/dbraw/zinc/99/59/22/377995922.db2.gz LISAUBIYKHNWCB-LURJTMIESA-N -1 0 305.294 -0.391 20 0 DBADRM O=c1[n-]c(C2CCN(S(=O)(=O)[C@@H]3CCOC3)CC2)n[nH]1 ZINC000328866738 378190527 /nfs/dbraw/zinc/19/05/27/378190527.db2.gz WVXFIJPHZCLJHT-SECBINFHSA-N -1 0 302.356 -0.192 20 0 DBADRM O=c1[n-]c([C@@H]2CCCN(S(=O)(=O)[C@H]3CCOC3)C2)n[nH]1 ZINC000328868531 378192794 /nfs/dbraw/zinc/19/27/94/378192794.db2.gz XKQHJOHDTCGROD-BDAKNGLRSA-N -1 0 302.356 -0.192 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)c1 ZINC000402532896 378339135 /nfs/dbraw/zinc/33/91/35/378339135.db2.gz RTFKNYJTORQWNC-JTQLQIEISA-N -1 0 313.339 -0.259 20 0 DBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2CCOCC2)C1 ZINC000366836219 378358080 /nfs/dbraw/zinc/35/80/80/378358080.db2.gz PRAIRXGCEDJRJL-MNOVXSKESA-N -1 0 307.368 -0.083 20 0 DBADRM Cc1ccn2c(c1)ncc(C(=O)NC1(c3nnn[n-]3)CC1)c2=O ZINC000348292587 378396357 /nfs/dbraw/zinc/39/63/57/378396357.db2.gz LCXIYKKYWXLNOR-UHFFFAOYSA-N -1 0 311.305 -0.065 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)[N-]c1cnn(CC(=O)NC2CC2)c1 ZINC000314675220 378408197 /nfs/dbraw/zinc/40/81/97/378408197.db2.gz JPJSWGNDCHQXKG-UHFFFAOYSA-N -1 0 324.366 -0.006 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000584346526 378411723 /nfs/dbraw/zinc/41/17/23/378411723.db2.gz ORRNDPASSPKDKE-JTQLQIEISA-N -1 0 302.356 -0.278 20 0 DBADRM COCC[C@H](NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1)C(N)=O ZINC000613266795 378378408 /nfs/dbraw/zinc/37/84/08/378378408.db2.gz UFSZYUCCQINBGB-JTQLQIEISA-N -1 0 320.305 -0.350 20 0 DBADRM Cc1nnc([C@H]2CCCN(C(=O)c3cnc([O-])n(C)c3=O)C2)[nH]1 ZINC000329412816 378482966 /nfs/dbraw/zinc/48/29/66/378482966.db2.gz CCPKKZWGPIZTPK-VIFPVBQESA-N -1 0 318.337 -0.068 20 0 DBADRM Cn1c(CN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc(=O)n(C)c1=O ZINC000329669462 378499508 /nfs/dbraw/zinc/49/95/08/378499508.db2.gz SMRBJTWNBVMJNX-VIFPVBQESA-N -1 0 320.353 -0.713 20 0 DBADRM Cn1c(CN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc(=O)n(C)c1=O ZINC000329669461 378500365 /nfs/dbraw/zinc/50/03/65/378500365.db2.gz SMRBJTWNBVMJNX-SECBINFHSA-N -1 0 320.353 -0.713 20 0 DBADRM O=C(NC/C=C\CO)c1cccc(C(=O)NC/C=C\CO)c1[O-] ZINC000617683718 378553197 /nfs/dbraw/zinc/55/31/97/378553197.db2.gz HOPTYOODWPVOIO-CCAGOZQPSA-N -1 0 320.345 -0.051 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)N2CCCC2)C(=O)[O-])c1 ZINC000547556309 378576007 /nfs/dbraw/zinc/57/60/07/378576007.db2.gz LTSBYEMMFJWTDJ-SNVBAGLBSA-N -1 0 302.356 -0.425 20 0 DBADRM Cc1ncc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])s1 ZINC000547604919 378579782 /nfs/dbraw/zinc/57/97/82/378579782.db2.gz AHGAUXFJPGTRPA-MDTSDYNXSA-N -1 0 324.405 -0.342 20 0 DBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC[C@@H]1C(=O)[O-] ZINC000384662026 378665736 /nfs/dbraw/zinc/66/57/36/378665736.db2.gz UWGOUXASRFHETO-RKDXNWHRSA-N -1 0 306.340 -0.582 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)N(C)C[C@H](O)CO)cc2=O)cc1 ZINC000353962448 378694870 /nfs/dbraw/zinc/69/48/70/378694870.db2.gz LXJVPSQKOYRAKV-LBPRGKRZSA-N -1 0 305.334 -0.101 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)NC(C)(C)c2nnn[n-]2)C1=O ZINC000354776048 378764541 /nfs/dbraw/zinc/76/45/41/378764541.db2.gz BZLGIEUKBQHZQH-UHFFFAOYSA-N -1 0 323.357 -0.338 20 0 DBADRM CC(C)(NC(=O)CNC(=O)COc1ccccc1)c1nnn[n-]1 ZINC000354807323 378768013 /nfs/dbraw/zinc/76/80/13/378768013.db2.gz VIGLRLGBJASIOC-UHFFFAOYSA-N -1 0 318.337 -0.254 20 0 DBADRM CC(C)(NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1nnn[n-]1 ZINC000354804909 378768540 /nfs/dbraw/zinc/76/85/40/378768540.db2.gz QQVPIAIEPPDZID-UHFFFAOYSA-N -1 0 321.341 -0.584 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CC(O)C1 ZINC000355116537 378789806 /nfs/dbraw/zinc/78/98/06/378789806.db2.gz GWXHMUCOMZVVPA-UHFFFAOYSA-N -1 0 306.290 -0.554 20 0 DBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2nnc[nH]2)c1 ZINC000355777235 378835962 /nfs/dbraw/zinc/83/59/62/378835962.db2.gz BRKBZRCHTHPCPL-UHFFFAOYSA-N -1 0 317.352 -0.486 20 0 DBADRM CCC[C@@H](NC(=O)c1coc(S(N)(=O)=O)c1)c1nnn[n-]1 ZINC000356238897 378866329 /nfs/dbraw/zinc/86/63/29/378866329.db2.gz DKRAGCMOHRTMEW-SSDOTTSWSA-N -1 0 314.327 -0.289 20 0 DBADRM CC[C@H]1CN(CCNC(=O)CSc2n[nH]c(=O)[n-]2)CCO1 ZINC000357391694 378942272 /nfs/dbraw/zinc/94/22/72/378942272.db2.gz LRDLCRGVZICTFX-VIFPVBQESA-N -1 0 315.399 -0.171 20 0 DBADRM CCOC(=O)[C@H](CO)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000356937619 378907038 /nfs/dbraw/zinc/90/70/38/378907038.db2.gz QTIPYEGJGACGBK-JTQLQIEISA-N -1 0 321.289 -0.316 20 0 DBADRM CNS(=O)(=O)c1cccc(C(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000357093020 378918771 /nfs/dbraw/zinc/91/87/71/378918771.db2.gz DKPIDCZNLKVWEJ-UHFFFAOYSA-N -1 0 322.350 -0.473 20 0 DBADRM CC(C)(C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)N1CCOCC1 ZINC000367310698 379029854 /nfs/dbraw/zinc/02/98/54/379029854.db2.gz AOVYBYDEOGVSBF-SNVBAGLBSA-N -1 0 310.358 -0.790 20 0 DBADRM O=C(CCNC(=O)Cc1ccccc1)NCc1n[nH]c(=O)[n-]1 ZINC000358352539 379030806 /nfs/dbraw/zinc/03/08/06/379030806.db2.gz HRAJHFZYUJZQKP-UHFFFAOYSA-N -1 0 303.322 -0.125 20 0 DBADRM O=C(CCn1cnc2ccccc2c1=O)NCc1n[nH]c(=O)[n-]1 ZINC000358370028 379031792 /nfs/dbraw/zinc/03/17/92/379031792.db2.gz OUODHDLVXVPKJI-UHFFFAOYSA-N -1 0 314.305 -0.073 20 0 DBADRM O=C(CNC(=O)COc1ccccc1)NCc1n[nH]c(=O)[n-]1 ZINC000358373798 379033024 /nfs/dbraw/zinc/03/30/24/379033024.db2.gz VGBHMQNLFHRPPC-UHFFFAOYSA-N -1 0 305.294 -0.678 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000367242996 291715335 /nfs/dbraw/zinc/71/53/35/291715335.db2.gz GNOOZYKUOZZKJM-MRVPVSSYSA-N -1 0 309.340 -0.651 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)CCc2nnc[nH]2)C1=O ZINC000358704990 379078837 /nfs/dbraw/zinc/07/88/37/379078837.db2.gz BJJSJFMDYRDKBG-BXKDBHETSA-N -1 0 323.353 -0.436 20 0 DBADRM CCCC[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000359093565 379119659 /nfs/dbraw/zinc/11/96/59/379119659.db2.gz UWGLTTJGCMAIPE-SECBINFHSA-N -1 0 315.413 -0.016 20 0 DBADRM COCC(=O)N[C@H](C(=O)NCCCc1n[nH]c(=O)[n-]1)C(C)C ZINC000359523729 379172005 /nfs/dbraw/zinc/17/20/05/379172005.db2.gz HWIVIQRGEAVIRV-NSHDSACASA-N -1 0 313.358 -0.654 20 0 DBADRM COCCN1C[C@H](C(=O)NCCCc2n[nH]c(=O)[n-]2)CC1=O ZINC000359526672 379172148 /nfs/dbraw/zinc/17/21/48/379172148.db2.gz PXUJRJSRODQAOS-SECBINFHSA-N -1 0 311.342 -0.946 20 0 DBADRM O=C(CCNC(=O)c1ccco1)NCCCc1n[nH]c(=O)[n-]1 ZINC000359524131 379172621 /nfs/dbraw/zinc/17/26/21/379172621.db2.gz JVNLANDCLJFEIG-UHFFFAOYSA-N -1 0 307.310 -0.028 20 0 DBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1n[nH]c(=O)[n-]1 ZINC000359820240 379202700 /nfs/dbraw/zinc/20/27/00/379202700.db2.gz SVQMLSRXVZWCLK-UHFFFAOYSA-N -1 0 322.325 -0.619 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)OC ZINC000360189994 379238654 /nfs/dbraw/zinc/23/86/54/379238654.db2.gz SYNZIHGTRFCGLE-VIFPVBQESA-N -1 0 323.367 -0.563 20 0 DBADRM O=C([O-])C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000360406722 379264469 /nfs/dbraw/zinc/26/44/69/379264469.db2.gz HWNHQFOWZSPRLX-UHFFFAOYSA-N -1 0 306.322 -0.679 20 0 DBADRM COC(=O)[C@@H](CF)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000360483515 379269341 /nfs/dbraw/zinc/26/93/41/379269341.db2.gz PTWLSZPAEQNLBE-SSDOTTSWSA-N -1 0 310.241 -0.323 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCCN1CCOCC1 ZINC000361861921 379389768 /nfs/dbraw/zinc/38/97/68/379389768.db2.gz JJEIGVDYZRCMCH-UHFFFAOYSA-N -1 0 301.372 -0.559 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000367397863 379467544 /nfs/dbraw/zinc/46/75/44/379467544.db2.gz ZRNLEHLPAVJWAW-QMMMGPOBSA-N -1 0 313.260 -0.149 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000362816179 379472654 /nfs/dbraw/zinc/47/26/54/379472654.db2.gz ZFHVNJXYBSZOKO-SNVBAGLBSA-N -1 0 309.322 -0.078 20 0 DBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1cn2c(n1)CCCC2 ZINC000368523630 379544368 /nfs/dbraw/zinc/54/43/68/379544368.db2.gz GUAYDPJFXJQOHO-MRVPVSSYSA-N -1 0 303.340 -0.667 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCc3ccccc3C2)CCO1 ZINC000643452234 379632099 /nfs/dbraw/zinc/63/20/99/379632099.db2.gz STQXVJIKNADFNH-CYBMUJFWSA-N -1 0 318.329 -0.117 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@]2(CCCOC2)O1 ZINC000373633498 379648513 /nfs/dbraw/zinc/64/85/13/379648513.db2.gz BFXAUMCKMGSTSA-YGRLFVJLSA-N -1 0 311.338 -0.665 20 0 DBADRM COCC[C@@H](CO)N=c1nn[n-]n1Cc1ccc(OC)cc1 ZINC000631261534 379685434 /nfs/dbraw/zinc/68/54/34/379685434.db2.gz KJFIZXJFNLYQQT-LBPRGKRZSA-N -1 0 307.354 -0.039 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCS1 ZINC000643458477 379692369 /nfs/dbraw/zinc/69/23/69/379692369.db2.gz UDHGICDQWRHNGR-BDAKNGLRSA-N -1 0 302.352 -0.738 20 0 DBADRM CCN(C)C(=O)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000626508185 379655388 /nfs/dbraw/zinc/65/53/88/379655388.db2.gz FLHNZAQQCVAWCX-UHFFFAOYSA-N -1 0 314.367 -0.339 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C3CC3)C2)C[C@H]1C(=O)[O-] ZINC000643461177 379708606 /nfs/dbraw/zinc/70/86/06/379708606.db2.gz MGJRBPXRKJNXOY-JLLWLGSASA-N -1 0 310.350 -0.197 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@H]2C2CC2)C[C@H]1C(=O)[O-] ZINC000643461124 379709269 /nfs/dbraw/zinc/70/92/69/379709269.db2.gz XCAMDKIXKLVEMW-JLLWLGSASA-N -1 0 310.350 -0.197 20 0 DBADRM CN(CCOCC1CC1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643462549 379790713 /nfs/dbraw/zinc/79/07/13/379790713.db2.gz MODYVBAYZKFIKE-NSHDSACASA-N -1 0 314.338 -0.817 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCS1 ZINC000643463757 379798224 /nfs/dbraw/zinc/79/82/24/379798224.db2.gz AHFFWXIKPMITRT-ZJUUUORDSA-N -1 0 316.379 -0.348 20 0 DBADRM CC1(CO)CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000633066273 379762181 /nfs/dbraw/zinc/76/21/81/379762181.db2.gz GGNIWSWYZRTMCC-NSHDSACASA-N -1 0 312.366 -0.069 20 0 DBADRM CO[C@H]1CC[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000188291729 379773299 /nfs/dbraw/zinc/77/32/99/379773299.db2.gz HFDJATGPPHLHSN-IUCAKERBSA-N -1 0 304.306 -0.091 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000230104625 379868084 /nfs/dbraw/zinc/86/80/84/379868084.db2.gz KTCKFUKIKUPDDT-JTQLQIEISA-N -1 0 314.319 -0.441 20 0 DBADRM Cc1noc(CCNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC000584777551 379843806 /nfs/dbraw/zinc/84/38/06/379843806.db2.gz FGJBXXIAWHXXPF-QMMMGPOBSA-N -1 0 304.328 -0.696 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)O)C[C@@H]1C(=O)[O-] ZINC000584782691 379844110 /nfs/dbraw/zinc/84/41/10/379844110.db2.gz UCJZNFCPNUXYAC-ZJUUUORDSA-N -1 0 300.355 -0.215 20 0 DBADRM COC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])[C@@H]1CCCO1 ZINC000584781426 379844341 /nfs/dbraw/zinc/84/43/41/379844341.db2.gz NTWHPTZHCUTRPI-UWVGGRQHSA-N -1 0 302.327 -0.722 20 0 DBADRM CCC[C@](C)(O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000230684302 379869664 /nfs/dbraw/zinc/86/96/64/379869664.db2.gz DHTXAKFCXWKTBA-NSHDSACASA-N -1 0 305.356 -0.203 20 0 DBADRM COc1ccc(OC)c(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1 ZINC000040699857 379861674 /nfs/dbraw/zinc/86/16/74/379861674.db2.gz HRMAKTWNYUQCJT-SECBINFHSA-N -1 0 319.335 -0.182 20 0 DBADRM CS(=O)(=O)NCCNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000040578773 379862012 /nfs/dbraw/zinc/86/20/12/379862012.db2.gz RDUZEWBPPPSUBW-UHFFFAOYSA-N -1 0 315.351 -0.267 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC[C@H]2CCCCO2)cn1 ZINC000042818049 379864979 /nfs/dbraw/zinc/86/49/79/379864979.db2.gz KOAIYMBLYAKHFE-SECBINFHSA-N -1 0 303.340 -0.185 20 0 DBADRM NC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000043703047 379865937 /nfs/dbraw/zinc/86/59/37/379865937.db2.gz YUBXYKATJJLWQR-JTQLQIEISA-N -1 0 314.319 -0.740 20 0 DBADRM Cc1c(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)cnn1C ZINC000226222590 379866165 /nfs/dbraw/zinc/86/61/65/379866165.db2.gz BFWXJEQKCLHGSB-UHFFFAOYSA-N -1 0 316.383 -0.140 20 0 DBADRM COC(=O)[C@@H]1CC12CCN(C(=O)c1cnc([O-])n(C)c1=O)CC2 ZINC000610585463 379813546 /nfs/dbraw/zinc/81/35/46/379813546.db2.gz WFKNXTYTFUWMSN-JTQLQIEISA-N -1 0 321.333 -0.099 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)c1ccccn1 ZINC000610585453 379814054 /nfs/dbraw/zinc/81/40/54/379814054.db2.gz RBTOPCLIHMZRPG-JTQLQIEISA-N -1 0 318.289 -0.475 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000044617714 379867484 /nfs/dbraw/zinc/86/74/84/379867484.db2.gz JFEMGUIWKKCFIP-SNVBAGLBSA-N -1 0 322.383 -0.089 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C3CC3)C2)CCO1 ZINC000643467249 379820806 /nfs/dbraw/zinc/82/08/06/379820806.db2.gz QPAQIJHCYSHVFR-NEPJUHHUSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C3CCC3)C2)CCO1 ZINC000643467023 379821279 /nfs/dbraw/zinc/82/12/79/379821279.db2.gz LLUJNRMYFLZAQU-RYUDHWBXSA-N -1 0 310.350 -0.053 20 0 DBADRM COCCOCCNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000044721075 379867611 /nfs/dbraw/zinc/86/76/11/379867611.db2.gz WPIJJGQFLJSAPD-SNVBAGLBSA-N -1 0 310.372 -0.720 20 0 DBADRM CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000643467356 379823063 /nfs/dbraw/zinc/82/30/63/379823063.db2.gz LYNCPZKNYMLRDY-ZYHUDNBSSA-N -1 0 312.366 -0.071 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-] ZINC000230103323 379867853 /nfs/dbraw/zinc/86/78/53/379867853.db2.gz YNMKSSRETZZYSG-SECBINFHSA-N -1 0 315.307 -0.766 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)c[nH]1 ZINC000611164864 379924874 /nfs/dbraw/zinc/92/48/74/379924874.db2.gz DBLVQONOCJWDMS-UHFFFAOYSA-N -1 0 313.295 -0.576 20 0 DBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H](C)C(=O)[O-] ZINC000037434539 379884609 /nfs/dbraw/zinc/88/46/09/379884609.db2.gz XSOSPRWLJASNSI-HTQZYQBOSA-N -1 0 312.413 -0.363 20 0 DBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCCC(=O)[O-] ZINC000037433837 379885162 /nfs/dbraw/zinc/88/51/62/379885162.db2.gz KEDVXERTAZOEMK-QMMMGPOBSA-N -1 0 312.413 -0.362 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)NC2CC(CO)(CO)C2)s[n-]1 ZINC000626567313 379941067 /nfs/dbraw/zinc/94/10/67/379941067.db2.gz OUEDOPVNBGNKLA-SSDOTTSWSA-N -1 0 316.383 -0.078 20 0 DBADRM COC(=O)c1cccc(CCNC(=O)C(=O)NCCC(=O)[O-])c1 ZINC000420567110 380064853 /nfs/dbraw/zinc/06/48/53/380064853.db2.gz SVLGQUKWYMCPEC-UHFFFAOYSA-N -1 0 322.317 -0.277 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1=O ZINC000420569733 380064898 /nfs/dbraw/zinc/06/48/98/380064898.db2.gz WFZCCKQAQOPVOB-YTWAJWBKSA-N -1 0 323.349 -0.955 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCc1cccc2c1OCO2 ZINC000420542464 380064962 /nfs/dbraw/zinc/06/49/62/380064962.db2.gz KUHGPHJRVAHSBV-UHFFFAOYSA-N -1 0 308.290 -0.035 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000420532332 380065209 /nfs/dbraw/zinc/06/52/09/380065209.db2.gz RGEFCDFOIXSKJZ-SNVBAGLBSA-N -1 0 320.301 -0.035 20 0 DBADRM COc1cccc(COCCNC(=O)C(=O)NCCC(=O)[O-])c1 ZINC000420569101 380065263 /nfs/dbraw/zinc/06/52/63/380065263.db2.gz XKFYMLNVIDNMLZ-UHFFFAOYSA-N -1 0 324.333 -0.081 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000420565903 380065364 /nfs/dbraw/zinc/06/53/64/380065364.db2.gz TWAIQOBVTWRQIB-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000420569415 380065504 /nfs/dbraw/zinc/06/55/04/380065504.db2.gz XWRZJMGGTMGORK-YUSALJHKSA-N -1 0 310.350 -0.007 20 0 DBADRM COc1ccc(OC)c(CCNC(=O)C(=O)NCCC(=O)[O-])c1 ZINC000420530411 380065543 /nfs/dbraw/zinc/06/55/43/380065543.db2.gz NQXOJPQWZYOYPS-UHFFFAOYSA-N -1 0 324.333 -0.047 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC1=O ZINC000420543035 380066323 /nfs/dbraw/zinc/06/63/23/380066323.db2.gz CSVVHLOFMYTYNW-ZJUUUORDSA-N -1 0 313.354 -0.709 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)NCCCCCC(=O)[O-])C[C@@H]1OC ZINC000420577112 380066713 /nfs/dbraw/zinc/06/67/13/380066713.db2.gz MLBVLQXLJKOHNP-PHIMTYICSA-N -1 0 316.354 -0.380 20 0 DBADRM CN(C(=O)CNC(=O)C(=O)NCCC(=O)[O-])C1CCCCC1 ZINC000420550549 380066982 /nfs/dbraw/zinc/06/69/82/380066982.db2.gz GQLOIINRCDMJAK-UHFFFAOYSA-N -1 0 313.354 -0.515 20 0 DBADRM C[C@H]1C[C@H](O)CN1C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000420591378 380067105 /nfs/dbraw/zinc/06/71/05/380067105.db2.gz VKQZDLDFVWUPOG-CABZTGNLSA-N -1 0 306.318 -0.017 20 0 DBADRM COCCCOC1CN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000420599584 380068235 /nfs/dbraw/zinc/06/82/35/380068235.db2.gz YPBMAPQXKWSCLD-UHFFFAOYSA-N -1 0 302.327 -0.769 20 0 DBADRM CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)NCCC(=O)[O-] ZINC000420600932 380068463 /nfs/dbraw/zinc/06/84/63/380068463.db2.gz OKYNXADDJUJAGW-AWEZNQCLSA-N -1 0 300.355 -0.023 20 0 DBADRM COCCN(C(=O)C(=O)NCCC(=O)[O-])[C@H]1CCCSC1 ZINC000420595188 380068507 /nfs/dbraw/zinc/06/85/07/380068507.db2.gz DYTRQEQRRBZDPY-JTQLQIEISA-N -1 0 318.395 -0.052 20 0 DBADRM CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)NCCC(=O)[O-] ZINC000420601072 380069200 /nfs/dbraw/zinc/06/92/00/380069200.db2.gz PJNHLSOZSKKTHU-JTQLQIEISA-N -1 0 322.317 -0.124 20 0 DBADRM COC[C@@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)C(=O)[O-] ZINC000572224266 380139730 /nfs/dbraw/zinc/13/97/30/380139730.db2.gz ZIKVSAMYHXQMRE-WDEREUQCSA-N -1 0 323.353 -0.156 20 0 DBADRM CS(=O)(=O)NCc1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)o1 ZINC000572258936 380140590 /nfs/dbraw/zinc/14/05/90/380140590.db2.gz ZZUNOKAFMGCCNQ-ZKCHVHJHSA-N -1 0 316.335 -0.078 20 0 DBADRM CO[C@H]1CCN(C(=O)NCCCn2ccnn2)[C@@H](C(=O)[O-])C1 ZINC000571741495 380118247 /nfs/dbraw/zinc/11/82/47/380118247.db2.gz YMWRWQXFZMKYIK-WDEREUQCSA-N -1 0 311.342 -0.058 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000571881635 380121928 /nfs/dbraw/zinc/12/19/28/380121928.db2.gz VXZVKPPXWHHBMQ-VIFPVBQESA-N -1 0 310.372 -0.879 20 0 DBADRM CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000571881899 380123707 /nfs/dbraw/zinc/12/37/07/380123707.db2.gz GOPWZEIIMWHWOO-ZETOZRRWSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)(CCNC(=O)C(=O)NCCCC(=O)[O-])S(C)(=O)=O ZINC000571921384 380124728 /nfs/dbraw/zinc/12/47/28/380124728.db2.gz PPWSQOUSHLLDCO-UHFFFAOYSA-N -1 0 322.383 -0.703 20 0 DBADRM C[C@H](CC(=O)[O-])N(C)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000572059983 380129147 /nfs/dbraw/zinc/12/91/47/380129147.db2.gz LFIWWDSIRKOARK-MRVPVSSYSA-N -1 0 307.310 -0.548 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000262862325 380204512 /nfs/dbraw/zinc/20/45/12/380204512.db2.gz UFOBKVOXNBHDAO-GXSJLCMTSA-N -1 0 307.368 -0.193 20 0 DBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000262971784 380205829 /nfs/dbraw/zinc/20/58/29/380205829.db2.gz PUOQGXHOQLFDBT-DTWKUNHWSA-N -1 0 306.384 -0.117 20 0 DBADRM CCOC(=O)c1ccccc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000611603615 380187205 /nfs/dbraw/zinc/18/72/05/380187205.db2.gz JOWUNNNLKSRLKE-UHFFFAOYSA-N -1 0 318.293 -0.369 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccco1 ZINC000262418237 380187545 /nfs/dbraw/zinc/18/75/45/380187545.db2.gz UOQASXPCHNXGOA-QMMMGPOBSA-N -1 0 304.324 -0.121 20 0 DBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N1CCC[C@@H]1C ZINC000262463615 380191907 /nfs/dbraw/zinc/19/19/07/380191907.db2.gz SQKRMHCBPICFSP-UWVGGRQHSA-N -1 0 321.399 -0.373 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1CC[C@@H](C)C1 ZINC000262480261 380192490 /nfs/dbraw/zinc/19/24/90/380192490.db2.gz VQHHNPCWHMMWHP-NXEZZACHSA-N -1 0 321.399 -0.516 20 0 DBADRM CNC(=O)[C@H](NC(=O)CN(C)[C@H](C)C(=O)[O-])c1ccccc1 ZINC000262671511 380198922 /nfs/dbraw/zinc/19/89/22/380198922.db2.gz RUARURRZVPWJPJ-ZWNOBZJWSA-N -1 0 307.350 -0.005 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)c2cc(C(=O)[O-])co2)C1 ZINC000262741197 380200522 /nfs/dbraw/zinc/20/05/22/380200522.db2.gz IIWNMAKKSNVKJZ-MRVPVSSYSA-N -1 0 316.335 -0.011 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000262727716 380200739 /nfs/dbraw/zinc/20/07/39/380200739.db2.gz GWPQYRUZIWRIRB-MWLCHTKSSA-N -1 0 307.368 -0.194 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)nc1 ZINC000262869780 380203834 /nfs/dbraw/zinc/20/38/34/380203834.db2.gz WILYJPYEPKHKLJ-MWLCHTKSSA-N -1 0 307.306 -0.210 20 0 DBADRM CO[C@@H](CNC(=O)c1csc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000262864176 380204112 /nfs/dbraw/zinc/20/41/12/380204112.db2.gz HOPWOVMWUOIZOC-LURJTMIESA-N -1 0 308.337 -0.775 20 0 DBADRM COCc1cc(N2CCO[C@@H](CC(=O)[O-])C2)n2ncnc2n1 ZINC000574992738 380255500 /nfs/dbraw/zinc/25/55/00/380255500.db2.gz VYSNFBXRXQMWKU-JTQLQIEISA-N -1 0 307.310 -0.049 20 0 DBADRM CO[C@@H](CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC000263073628 380209679 /nfs/dbraw/zinc/20/96/79/380209679.db2.gz KEWPFCXILMVJKU-YUMQZZPRSA-N -1 0 310.372 -0.834 20 0 DBADRM CNC(=O)COc1ccc(C(=O)N(C)CC(=O)[O-])cc1OC ZINC000263150612 380211069 /nfs/dbraw/zinc/21/10/69/380211069.db2.gz WWHDRZGAUSCJBY-UHFFFAOYSA-N -1 0 310.306 -0.023 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000263150633 380211318 /nfs/dbraw/zinc/21/13/18/380211318.db2.gz WWRHPWGRKSZXLV-VIFPVBQESA-N -1 0 315.351 -0.319 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263148587 380211963 /nfs/dbraw/zinc/21/19/63/380211963.db2.gz HHGJAZKVEPGDCW-GUBZILKMSA-N -1 0 306.384 -0.022 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000263277796 380213799 /nfs/dbraw/zinc/21/37/99/380213799.db2.gz SNOQWONKDPNXGF-SECBINFHSA-N -1 0 309.326 -0.354 20 0 DBADRM C[C@H](O)CCN(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000611863026 380215172 /nfs/dbraw/zinc/21/51/72/380215172.db2.gz SEENRPJNBHZJLK-QMMMGPOBSA-N -1 0 302.352 -0.118 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000263370762 380215345 /nfs/dbraw/zinc/21/53/45/380215345.db2.gz VGYBIEHGXHQFSY-WISYIIOYSA-N -1 0 323.353 -0.030 20 0 DBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000263370760 380215715 /nfs/dbraw/zinc/21/57/15/380215715.db2.gz VGYBIEHGXHQFSY-WHOHXGKFSA-N -1 0 323.353 -0.030 20 0 DBADRM CC(=O)NCCN(C(=O)c1cnn2ncccc12)[C@H](C)C(=O)[O-] ZINC000263453800 380217070 /nfs/dbraw/zinc/21/70/70/380217070.db2.gz UAKNSPUZIYDZNR-SECBINFHSA-N -1 0 319.321 -0.219 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000263466556 380217139 /nfs/dbraw/zinc/21/71/39/380217139.db2.gz GIUOKOQYLKBCBV-LLVKDONJSA-N -1 0 305.356 -0.347 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2[O-])CCO1 ZINC000133212454 380232270 /nfs/dbraw/zinc/23/22/70/380232270.db2.gz OHFDFKISQBZMTD-SNVBAGLBSA-N -1 0 301.320 -0.045 20 0 DBADRM COC(=O)Cc1[n-][nH]c(=O)c1C(=O)Nc1cccnc1OC ZINC000421813573 380235772 /nfs/dbraw/zinc/23/57/72/380235772.db2.gz OHOAOOLZVBPOPQ-JTQLQIEISA-N -1 0 306.278 -0.306 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CNC(=O)c2ccccc21 ZINC000626704601 380238408 /nfs/dbraw/zinc/23/84/08/380238408.db2.gz DDTQLUJFEOBVNB-SNVBAGLBSA-N -1 0 302.290 -0.451 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000422697505 380295926 /nfs/dbraw/zinc/29/59/26/380295926.db2.gz UTPWSYGXPYMFHK-ZJUUUORDSA-N -1 0 314.338 -0.375 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000422697502 380295969 /nfs/dbraw/zinc/29/59/69/380295969.db2.gz UTPWSYGXPYMFHK-NXEZZACHSA-N -1 0 314.338 -0.375 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCn2cccn2)C1 ZINC000422724847 380296019 /nfs/dbraw/zinc/29/60/19/380296019.db2.gz WTXLHLOJYWLHIY-QWRGUYRKSA-N -1 0 308.338 -0.432 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000422723746 380296447 /nfs/dbraw/zinc/29/64/47/380296447.db2.gz SHPAKFBBJJWNHV-ZYHUDNBSSA-N -1 0 322.365 -0.123 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C(C)(C)O)C[C@H]1C(=O)[O-] ZINC000422826457 380298250 /nfs/dbraw/zinc/29/82/50/380298250.db2.gz LODXWCWQMONQES-MXWKQRLJSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422828491 380298837 /nfs/dbraw/zinc/29/88/37/380298837.db2.gz BDYWXMLYEYNOEF-ZIBATOQPSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)[C@@H]1CO ZINC000422832778 380300156 /nfs/dbraw/zinc/30/01/56/380300156.db2.gz FYFJZDRTLQCSNP-WISYIIOYSA-N -1 0 312.366 -0.215 20 0 DBADRM COC(=O)C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000422851377 380300766 /nfs/dbraw/zinc/30/07/66/380300766.db2.gz OTMLQVOVLVEHCA-VHSXEESVSA-N -1 0 312.322 -0.526 20 0 DBADRM COCCOC1CN(C(=O)C(=O)N(C)CCCC(=O)[O-])C1 ZINC000422862023 380301817 /nfs/dbraw/zinc/30/18/17/380301817.db2.gz NDWCEOLNZAATMZ-UHFFFAOYSA-N -1 0 302.327 -0.817 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N(C)CCCC(=O)[O-])C[C@@H](C)O1 ZINC000422876305 380301913 /nfs/dbraw/zinc/30/19/13/380301913.db2.gz GCKIVGHIGZSRNQ-MNOVXSKESA-N -1 0 316.354 -0.428 20 0 DBADRM COCCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC000422875063 380302343 /nfs/dbraw/zinc/30/23/43/380302343.db2.gz BLPILEOCJIDAPF-WDEREUQCSA-N -1 0 316.354 -0.571 20 0 DBADRM CN(CCC(N)=O)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422931982 380303198 /nfs/dbraw/zinc/30/31/98/380303198.db2.gz DJDGFVVJAMMFEP-LKFCYVNXSA-N -1 0 311.338 -0.967 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)C1 ZINC000422931105 380303325 /nfs/dbraw/zinc/30/33/25/380303325.db2.gz XARDQTVWFYDUSZ-QCNOEVLYSA-N -1 0 312.366 -0.215 20 0 DBADRM COCCN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC000422880047 380303418 /nfs/dbraw/zinc/30/34/18/380303418.db2.gz NBZJLRIIDFSAHW-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC000422886773 380303844 /nfs/dbraw/zinc/30/38/44/380303844.db2.gz XPJUVKUAIUDHNV-LKFCYVNXSA-N -1 0 314.338 -0.423 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@H]2CCO)C1 ZINC000422929695 380304030 /nfs/dbraw/zinc/30/40/30/380304030.db2.gz RDAWCZUZOJOXHS-IJLUTSLNSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424490203 380389315 /nfs/dbraw/zinc/38/93/15/380389315.db2.gz UTPYGOCZNLIFJH-UHFFFAOYSA-N -1 0 301.343 -0.754 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424491179 380389477 /nfs/dbraw/zinc/38/94/77/380389477.db2.gz XBBQEGBRTYBQPC-SNVBAGLBSA-N -1 0 313.354 -0.660 20 0 DBADRM CCC(CC)(CNC(=O)C(=O)N1CC[C@H](CO)C1)C(=O)[O-] ZINC000424494072 380389899 /nfs/dbraw/zinc/38/98/99/380389899.db2.gz PDNWWTJODIARLD-JTQLQIEISA-N -1 0 300.355 -0.166 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424490936 380390241 /nfs/dbraw/zinc/39/02/41/380390241.db2.gz WPQBXCOZXDCXHG-VHSXEESVSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCNC(=O)[C@H]1C)C(=O)[O-] ZINC000424497597 380392027 /nfs/dbraw/zinc/39/20/27/380392027.db2.gz VHUJDQYQOJKUAK-ZJUUUORDSA-N -1 0 313.354 -0.804 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](CO)C1)C(=O)[O-] ZINC000424498328 380394466 /nfs/dbraw/zinc/39/44/66/380394466.db2.gz XCHLKGHNWZDWRD-WOPDTQHZSA-N -1 0 314.382 -0.064 20 0 DBADRM CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)c1nnn[n-]1 ZINC000612062166 380356726 /nfs/dbraw/zinc/35/67/26/380356726.db2.gz TUUHAGUXBNGXAZ-YUMQZZPRSA-N -1 0 304.376 -0.515 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCO1 ZINC000626774473 380360527 /nfs/dbraw/zinc/36/05/27/380360527.db2.gz YNVCFFVMQORJMM-GHMZBOCLSA-N -1 0 313.354 -0.227 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000537124021 380452304 /nfs/dbraw/zinc/45/23/04/380452304.db2.gz VJEUDGNCIFFKBW-QMMMGPOBSA-N -1 0 321.341 -0.764 20 0 DBADRM COC[C@H](CCO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612504551 380406672 /nfs/dbraw/zinc/40/66/72/380406672.db2.gz ILAGBKGHDVKVNL-QMMMGPOBSA-N -1 0 318.351 -0.833 20 0 DBADRM C[C@H](CO)[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612500104 380411504 /nfs/dbraw/zinc/41/15/04/380411504.db2.gz GJLYOOOAAZRRRB-SFYZADRCSA-N -1 0 302.352 -0.214 20 0 DBADRM C[C@H](O)C(C)(C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613172285 380503685 /nfs/dbraw/zinc/50/36/85/380503685.db2.gz CKFCDGULFLWLDU-ZETCQYMHSA-N -1 0 302.352 -0.071 20 0 DBADRM CCS(=O)(=O)NCC(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000628540037 380515628 /nfs/dbraw/zinc/51/56/28/380515628.db2.gz ISMHZMUNEKVBJG-UHFFFAOYSA-N -1 0 304.397 -0.111 20 0 DBADRM Cn1[n-]c(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1=O ZINC000612891761 380460177 /nfs/dbraw/zinc/46/01/77/380460177.db2.gz LQLXARZEBUGTOH-MRVPVSSYSA-N -1 0 302.356 -0.721 20 0 DBADRM O=C(NC[C@@H]1CCCN1CC(F)F)c1n[nH]c(=O)[n-]c1=O ZINC000628617173 380538255 /nfs/dbraw/zinc/53/82/55/380538255.db2.gz MXGJFBALUBWIBA-LURJTMIESA-N -1 0 303.269 -0.258 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000628779646 380553393 /nfs/dbraw/zinc/55/33/93/380553393.db2.gz HVGPAFHUKLUMER-LJGSYFOKSA-N -1 0 313.335 -0.967 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000628781412 380555243 /nfs/dbraw/zinc/55/52/43/380555243.db2.gz NQJJXPZOMZUISW-KBTIHESUSA-N -1 0 303.278 -0.570 20 0 DBADRM Cc1cc(C(=O)N[C@H]2COCCC2=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000628890931 380569495 /nfs/dbraw/zinc/56/94/95/380569495.db2.gz SLEFBZVCRQNKSY-QMMMGPOBSA-N -1 0 318.289 -0.168 20 0 DBADRM Cn1nncc1S(=O)(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC000629334025 380630302 /nfs/dbraw/zinc/63/03/02/380630302.db2.gz HLRWOSBBCAMAHO-UHFFFAOYSA-N -1 0 310.335 -0.079 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCOC1)NS(=O)(=O)N1CCOCC1 ZINC000629339299 380632201 /nfs/dbraw/zinc/63/22/01/380632201.db2.gz SPHMEVPGEBYSQS-MNOVXSKESA-N -1 0 322.383 -0.577 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCOC1)NS(=O)(=O)c1c[nH]cn1 ZINC000629340050 380633398 /nfs/dbraw/zinc/63/33/98/380633398.db2.gz XVROGBQXNLWVKR-BDAKNGLRSA-N -1 0 303.340 -0.042 20 0 DBADRM COCCOc1ccnc([N-]S(=O)(=O)c2cnnn2C)n1 ZINC000629351190 380634749 /nfs/dbraw/zinc/63/47/49/380634749.db2.gz GXSLUEXZCAZWRQ-UHFFFAOYSA-N -1 0 314.327 -0.569 20 0 DBADRM COC[C@]1(C)CN(S(=O)(=O)N(C)CCC(=O)[O-])CCO1 ZINC000629346786 380635107 /nfs/dbraw/zinc/63/51/07/380635107.db2.gz VRIQFJCWQLSKNI-NSHDSACASA-N -1 0 310.372 -0.625 20 0 DBADRM CN1C[C@@H](C(=O)N=c2nc(C3CCOCC3)[n-]s2)NC1=O ZINC000629105346 380596884 /nfs/dbraw/zinc/59/68/84/380596884.db2.gz SGTGRNCCSAFQHF-QMMMGPOBSA-N -1 0 311.367 -0.184 20 0 DBADRM Cc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c(F)c1F ZINC000629291196 380622259 /nfs/dbraw/zinc/62/22/59/380622259.db2.gz AEGZPDUENZRICF-ZCFIWIBFSA-N -1 0 322.289 -0.120 20 0 DBADRM CO[C@H](CS(=O)(=O)N[C@H](CO)C(=O)[O-])c1ccc(F)cc1 ZINC000629294328 380622456 /nfs/dbraw/zinc/62/24/56/380622456.db2.gz WYDLLPFAXAVBAV-GHMZBOCLSA-N -1 0 321.326 -0.122 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000629300787 380623543 /nfs/dbraw/zinc/62/35/43/380623543.db2.gz QSYPMGVKWFJMJI-LLVKDONJSA-N -1 0 323.334 -0.159 20 0 DBADRM CCO[C@H](CS(=O)(=O)N1CCOC[C@@H]1C(=O)[O-])C1CC1 ZINC000629299089 380623696 /nfs/dbraw/zinc/62/36/96/380623696.db2.gz LXMYFVFEGKHNQP-GHMZBOCLSA-N -1 0 307.368 -0.083 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)n1C ZINC000629294475 380623810 /nfs/dbraw/zinc/62/38/10/380623810.db2.gz YJBYOCCTSMUUFP-WCBMZHEXSA-N -1 0 303.340 -0.503 20 0 DBADRM Cn1nncc1S(=O)(=O)N1CCc2occc2[C@H]1C(=O)[O-] ZINC000629307823 380624165 /nfs/dbraw/zinc/62/41/65/380624165.db2.gz LDCZVIMCOKYUKT-JTQLQIEISA-N -1 0 312.307 -0.219 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1cccc2c1CCNC2=O ZINC000629301111 380624335 /nfs/dbraw/zinc/62/43/35/380624335.db2.gz YWJPWTOCUOJKLX-UHFFFAOYSA-N -1 0 307.335 -0.098 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2cnn(C)c2C)[C@@](C)(C(=O)[O-])C1 ZINC000629308316 380625107 /nfs/dbraw/zinc/62/51/07/380625107.db2.gz IJGSNFQEDGHVKG-BXKDBHETSA-N -1 0 317.367 -0.019 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)N2CCOCC2)[C@](C)(C(=O)[O-])C1 ZINC000629307152 380625121 /nfs/dbraw/zinc/62/51/21/380625121.db2.gz BOPNFLKYDIYSIU-ONGXEEELSA-N -1 0 308.356 -0.873 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2c[nH]c(C)n2)[C@](C)(C(=O)[O-])C1 ZINC000629310480 380625138 /nfs/dbraw/zinc/62/51/38/380625138.db2.gz SPWVMJYSXKGDTF-KWQFWETISA-N -1 0 303.340 -0.029 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)c2cnn(C)c2C)[C@](C)(C(=O)[O-])C1 ZINC000629308320 380625159 /nfs/dbraw/zinc/62/51/59/380625159.db2.gz IJGSNFQEDGHVKG-SKDRFNHKSA-N -1 0 317.367 -0.019 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)[C@](C)(C(=O)[O-])C1 ZINC000629310636 380625406 /nfs/dbraw/zinc/62/54/06/380625406.db2.gz VHAVYEPEIQNQKO-KWQFWETISA-N -1 0 303.340 -0.327 20 0 DBADRM COCCOCCS(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC000629306788 380625433 /nfs/dbraw/zinc/62/54/33/380625433.db2.gz JZAMMGKLRMHWMG-MRVPVSSYSA-N -1 0 317.310 -0.227 20 0 DBADRM C[C@@H]1CN(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC000629306435 380625453 /nfs/dbraw/zinc/62/54/53/380625453.db2.gz YBHLTLAQLTXMCT-AEJSXWLSSA-N -1 0 320.367 -0.601 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2ccnn2C)[C@](C)(C(=O)[O-])C1 ZINC000629306983 380625698 /nfs/dbraw/zinc/62/56/98/380625698.db2.gz AYFMOAJMHRIGEK-KWQFWETISA-N -1 0 303.340 -0.327 20 0 DBADRM CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CCCS(C)(=O)=O ZINC000629311330 380625742 /nfs/dbraw/zinc/62/57/42/380625742.db2.gz HZVZXUFALHBZFB-DTORHVGOSA-N -1 0 313.397 -0.454 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)n1C ZINC000629306335 380625844 /nfs/dbraw/zinc/62/58/44/380625844.db2.gz YXSTZKFKAMZHRP-JTQLQIEISA-N -1 0 313.339 -0.434 20 0 DBADRM O=C([O-])Cn1cc(CNC(=O)c2ccnc(C3CC3)n2)nn1 ZINC000439721051 380626670 /nfs/dbraw/zinc/62/66/70/380626670.db2.gz RUDWGDYODJZCNI-UHFFFAOYSA-N -1 0 302.294 -0.040 20 0 DBADRM Cc1nc(S(=O)(=O)NCc2ncc(C(=O)[O-])cn2)cn1C ZINC000629314778 380627470 /nfs/dbraw/zinc/62/74/70/380627470.db2.gz ZIEXAICBLLTSLP-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM COCCN(CCOC)C(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000629314553 380627738 /nfs/dbraw/zinc/62/77/38/380627738.db2.gz XIWKOXADZPEFTA-UHFFFAOYSA-N -1 0 312.326 -0.021 20 0 DBADRM C[C@@H]1C[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000629628539 380700327 /nfs/dbraw/zinc/70/03/27/380700327.db2.gz FQKGTVWVZDZQIE-HTQZYQBOSA-N -1 0 323.400 -0.736 20 0 DBADRM C[C@@H](CN1CCCC1=O)NS(=O)(=O)[N-]CC(F)(F)F ZINC000195121777 380707219 /nfs/dbraw/zinc/70/72/19/380707219.db2.gz AZRBBMQWIJSDSZ-ZETCQYMHSA-N -1 0 303.306 -0.016 20 0 DBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC2COC2)c1 ZINC000634258083 380659211 /nfs/dbraw/zinc/65/92/11/380659211.db2.gz NEDSQPROAYOAIZ-UHFFFAOYSA-N -1 0 300.336 -0.229 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000195270909 380715653 /nfs/dbraw/zinc/71/56/53/380715653.db2.gz IIJIQGZUXOPZET-RQJHMYQMSA-N -1 0 324.346 -0.110 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)[N-]CC(F)(F)F ZINC000195406260 380716645 /nfs/dbraw/zinc/71/66/45/380716645.db2.gz QTIUSIIVOGEDAC-ZCFIWIBFSA-N -1 0 312.335 -0.204 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2cnn(C)c2)CC[C@H]1C(=O)[O-] ZINC000629773688 380716901 /nfs/dbraw/zinc/71/69/01/380716901.db2.gz QUBOFZSNAROMEB-CMPLNLGQSA-N -1 0 322.365 -0.052 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CC2(CO)CC2)CC[C@H]1C(=O)[O-] ZINC000629776930 380718320 /nfs/dbraw/zinc/71/83/20/380718320.db2.gz LACDDZUZWAACNC-WDEREUQCSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)O)CC[C@@H]1C(=O)[O-] ZINC000629777067 380719222 /nfs/dbraw/zinc/71/92/22/380719222.db2.gz PCWWWJITYWCYAC-UWVGGRQHSA-N -1 0 300.355 -0.215 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)C1 ZINC000629780869 380719928 /nfs/dbraw/zinc/71/99/28/380719928.db2.gz IJVDIUKMSJPDKE-ZIBATOQPSA-N -1 0 310.350 -0.460 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CCF)C2)C1 ZINC000629781398 380720429 /nfs/dbraw/zinc/72/04/29/380720429.db2.gz LZOUXTYFKRJIII-ZJUUUORDSA-N -1 0 302.302 -0.494 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)C[C@@H]1C(=O)[O-] ZINC000629783134 380720911 /nfs/dbraw/zinc/72/09/11/380720911.db2.gz FCXAQFKAZZMCPT-JZRPKSSGSA-N -1 0 324.377 -0.073 20 0 DBADRM CCOC[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CCO1 ZINC000629782908 380721129 /nfs/dbraw/zinc/72/11/29/380721129.db2.gz LKGFQZOGJFJRNI-QWRGUYRKSA-N -1 0 316.354 -0.571 20 0 DBADRM C[C@H]1CC(F)(F)CCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000629783323 380721142 /nfs/dbraw/zinc/72/11/42/380721142.db2.gz RGARRKRAZLGFPA-DTWKUNHWSA-N -1 0 320.292 -0.055 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)C[C@@H]1C(=O)[O-] ZINC000629783136 380721459 /nfs/dbraw/zinc/72/14/59/380721459.db2.gz FCXAQFKAZZMCPT-KSSYENDESA-N -1 0 324.377 -0.073 20 0 DBADRM CN1C(=O)C[C@H](NS(=O)(=O)C[C@H]2C(C)(C)C2(F)F)C1=O ZINC000641482473 380924753 /nfs/dbraw/zinc/92/47/53/380924753.db2.gz QAQNCIBIDQBPST-BQBZGAKWSA-N -1 0 310.322 -0.046 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)NC2CC2)cn1 ZINC000623521731 381012955 /nfs/dbraw/zinc/01/29/55/381012955.db2.gz FBHOVGXGJGVXBG-UHFFFAOYSA-N -1 0 312.351 -0.539 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2)cc1C(=O)[O-] ZINC000312300397 381049801 /nfs/dbraw/zinc/04/98/01/381049801.db2.gz CLLNTQURCAEQAJ-ZETCQYMHSA-N -1 0 301.324 -0.768 20 0 DBADRM COCC[C@@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000312168528 381050843 /nfs/dbraw/zinc/05/08/43/381050843.db2.gz XBRCPDMEXBEGQZ-ZETCQYMHSA-N -1 0 324.380 -0.395 20 0 DBADRM NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)cc1 ZINC000222495961 381071107 /nfs/dbraw/zinc/07/11/07/381071107.db2.gz SDVFVQZPOQWYEN-UWVGGRQHSA-N -1 0 314.319 -0.095 20 0 DBADRM CC(=O)c1ccc([O-])c(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c1 ZINC000613285026 381038411 /nfs/dbraw/zinc/03/84/11/381038411.db2.gz QTRVGDASQZEFFM-MGPQQGTHSA-N -1 0 307.302 -0.054 20 0 DBADRM CC(=O)Nc1nc(C(=O)NCCCc2nc(=O)[n-][nH]2)cs1 ZINC000174576437 381039644 /nfs/dbraw/zinc/03/96/44/381039644.db2.gz KROSXAIDFPSQFS-UHFFFAOYSA-N -1 0 310.339 -0.125 20 0 DBADRM CO[C@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000227278883 381082634 /nfs/dbraw/zinc/08/26/34/381082634.db2.gz JFTQORVVJFCOQM-SNVBAGLBSA-N -1 0 301.320 -0.081 20 0 DBADRM C[C@H](CCCNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000229514996 381092984 /nfs/dbraw/zinc/09/29/84/381092984.db2.gz INYQXJPRSMSBPV-MRVPVSSYSA-N -1 0 317.367 -0.097 20 0 DBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000230065503 381098100 /nfs/dbraw/zinc/09/81/00/381098100.db2.gz QMNIRSRSSDMOOY-JTQLQIEISA-N -1 0 301.320 -0.265 20 0 DBADRM N#Cc1cccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC000316509354 381145462 /nfs/dbraw/zinc/14/54/62/381145462.db2.gz XVJWVLWGMVXVNP-UHFFFAOYSA-N -1 0 321.318 -0.174 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC(=O)N1 ZINC000387262947 381168531 /nfs/dbraw/zinc/16/85/31/381168531.db2.gz LHMORUMMLLBOSE-VIFPVBQESA-N -1 0 312.347 -0.177 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC(=O)N1 ZINC000387262945 381168628 /nfs/dbraw/zinc/16/86/28/381168628.db2.gz LHMORUMMLLBOSE-SECBINFHSA-N -1 0 312.347 -0.177 20 0 DBADRM CCC[C@@H](C(=O)N(C)C[C@H](C)c1nnn[n-]1)S(N)(=O)=O ZINC000613475275 381129339 /nfs/dbraw/zinc/12/93/39/381129339.db2.gz OXIIDGLAEKPXEV-YUMQZZPRSA-N -1 0 304.376 -0.781 20 0 DBADRM C[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)N(C)C ZINC000054793116 381170051 /nfs/dbraw/zinc/17/00/51/381170051.db2.gz IOOJREVYXMXEHV-LURJTMIESA-N -1 0 305.294 -0.770 20 0 DBADRM CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613679878 381181970 /nfs/dbraw/zinc/18/19/70/381181970.db2.gz NYNTXCPBOKAANG-QWRGUYRKSA-N -1 0 314.363 -0.071 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCC2(CCO)CC2)c1 ZINC000613713024 381185561 /nfs/dbraw/zinc/18/55/61/381185561.db2.gz FZRSWLZQMXJCBS-UHFFFAOYSA-N -1 0 314.363 -0.068 20 0 DBADRM COCC[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000614423960 381254944 /nfs/dbraw/zinc/25/49/44/381254944.db2.gz IYZKOEXYKQSVFL-MRVPVSSYSA-N -1 0 318.351 -0.833 20 0 DBADRM Cn1[n-]c(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1=O ZINC000614494471 381260467 /nfs/dbraw/zinc/26/04/67/381260467.db2.gz LEZRLTGCUNUQDL-DTWKUNHWSA-N -1 0 316.383 -0.427 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000614170782 381231762 /nfs/dbraw/zinc/23/17/62/381231762.db2.gz HMFMWUNOXZRVIM-UTLUCORTSA-N -1 0 308.338 -0.284 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000614170443 381232076 /nfs/dbraw/zinc/23/20/76/381232076.db2.gz HJLSQEREXKBNAD-HNNXBMFYSA-N -1 0 316.317 -0.521 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N(CCO)CC(F)F)c1 ZINC000614263673 381241883 /nfs/dbraw/zinc/24/18/83/381241883.db2.gz GQMPPFCWNHFQBY-UHFFFAOYSA-N -1 0 324.305 -0.261 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc3n2CCC3)C1 ZINC000530152036 381293738 /nfs/dbraw/zinc/29/37/38/381293738.db2.gz KAQKREXKHWENKO-LBPRGKRZSA-N -1 0 315.351 -0.307 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CC[C@H]2CCOC2)C1 ZINC000530149277 381293784 /nfs/dbraw/zinc/29/37/84/381293784.db2.gz ANTKSNQHYCDKCD-PWSUYJOCSA-N -1 0 307.368 -0.082 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CC[C@](OC)(C(=O)[O-])C1)C1CC1 ZINC000530151281 381293851 /nfs/dbraw/zinc/29/38/51/381293851.db2.gz IUEBYLQDTXFISD-CMPLNLGQSA-N -1 0 307.368 -0.083 20 0 DBADRM COc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cn1 ZINC000530149397 381294046 /nfs/dbraw/zinc/29/40/46/381294046.db2.gz HMTWPRAUUUGSKA-SCZZXKLOSA-N -1 0 316.335 -0.047 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)[C@H](C)CO1 ZINC000530148538 381294065 /nfs/dbraw/zinc/29/40/65/381294065.db2.gz GPBVIIWTGZUEFN-HTQZYQBOSA-N -1 0 303.340 -0.084 20 0 DBADRM CC1(C)OC[C@@H]2C[C@@]21NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000530149894 381294187 /nfs/dbraw/zinc/29/41/87/381294187.db2.gz DGSPBCFTDJRCGX-HOTUBEGUSA-N -1 0 304.368 -0.063 20 0 DBADRM CO[C@@H]1CCCN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)C1 ZINC000530150331 381294621 /nfs/dbraw/zinc/29/46/21/381294621.db2.gz RJKMZBHVSWWOEO-MRVPVSSYSA-N -1 0 303.340 -0.082 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCOCC2CC2)C1 ZINC000530153371 381295656 /nfs/dbraw/zinc/29/56/56/381295656.db2.gz PERIJDULGRSEEO-LBPRGKRZSA-N -1 0 307.368 -0.082 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCOCC2CC2)C1 ZINC000530153370 381296102 /nfs/dbraw/zinc/29/61/02/381296102.db2.gz PERIJDULGRSEEO-GFCCVEGCSA-N -1 0 307.368 -0.082 20 0 DBADRM CC(C)[C@](C)(O)CNS(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530154317 381296190 /nfs/dbraw/zinc/29/61/90/381296190.db2.gz LOWQWJJERXZKAF-LLVKDONJSA-N -1 0 305.356 -0.196 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@](C)(O)COC)ccc1[O-] ZINC000614569422 381298699 /nfs/dbraw/zinc/29/86/99/381298699.db2.gz PMNOLNFIBSWHES-LBPRGKRZSA-N -1 0 318.351 -0.364 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)O[C@H]1C(=O)[O-] ZINC000630103548 381323122 /nfs/dbraw/zinc/32/31/22/381323122.db2.gz UGGXRFRBNQYLMK-MFYTUXHUSA-N -1 0 305.352 -0.442 20 0 DBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC000630118351 381324691 /nfs/dbraw/zinc/32/46/91/381324691.db2.gz HTWOKXZQRPLEMP-IUCAKERBSA-N -1 0 317.367 -0.139 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Cn2cc(C(=O)[O-])cn2)CC1=O ZINC000630123581 381326072 /nfs/dbraw/zinc/32/60/72/381326072.db2.gz OMNIDYVNMARMQC-MIMYLULJSA-N -1 0 306.322 -0.293 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1nc(=O)[nH][n-]1 ZINC000126365037 381330895 /nfs/dbraw/zinc/33/08/95/381330895.db2.gz QPBZUDJOBYVGRL-GFCCVEGCSA-N -1 0 317.349 -0.271 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCCn2cccn2)CC[C@H]1C(=O)[O-] ZINC000627263212 381335036 /nfs/dbraw/zinc/33/50/36/381335036.db2.gz ZKEGVVYBGFDOOI-VXGBXAGGSA-N -1 0 322.365 -0.041 20 0 DBADRM COC[C@H](C)S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1C ZINC000530382751 381307077 /nfs/dbraw/zinc/30/70/77/381307077.db2.gz UQFKNXKWRIEMEZ-OIBJUYFYSA-N -1 0 305.356 -0.191 20 0 DBADRM CO[C@H](CNS(=O)(=O)c1cc(C)cnc1N)CC(=O)[O-] ZINC000530383247 381308651 /nfs/dbraw/zinc/30/86/51/381308651.db2.gz SOEOIKOCGGNSQU-QMMMGPOBSA-N -1 0 303.340 -0.260 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N(C)[C@H]2CCS(=O)(=O)C2)O[C@H]1C(=O)[O-] ZINC000630099783 381308665 /nfs/dbraw/zinc/30/86/65/381308665.db2.gz CPCUWRJUJPKFAD-UTINFBMNSA-N -1 0 305.352 -0.490 20 0 DBADRM Cc1c([C@H](NS(=O)(=O)c2cnn(C)c2)C(=O)[O-])cnn1C ZINC000530383077 381310113 /nfs/dbraw/zinc/31/01/13/381310113.db2.gz MFILDTZSXGCVDS-JTQLQIEISA-N -1 0 313.339 -0.434 20 0 DBADRM Cc1c([C@H](NS(=O)(=O)[C@H]2CCOC2)C(=O)[O-])cnn1C ZINC000530383051 381310230 /nfs/dbraw/zinc/31/02/30/381310230.db2.gz JEJAYQYDAFZMRH-WPRPVWTQSA-N -1 0 303.340 -0.437 20 0 DBADRM Cn1[n-]c(C(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)cc1=O ZINC000614644520 381317880 /nfs/dbraw/zinc/31/78/80/381317880.db2.gz VMSVZBQBPJKIJH-HNNXBMFYSA-N -1 0 322.365 -0.285 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCn2cccn2)CC[C@H]1C(=O)[O-] ZINC000627265267 381347095 /nfs/dbraw/zinc/34/70/95/381347095.db2.gz GQKDKWBGAYUIFH-WDEREUQCSA-N -1 0 308.338 -0.432 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cn1 ZINC000539327174 381351242 /nfs/dbraw/zinc/35/12/42/381351242.db2.gz VOLNOTARTQOLBN-SNVBAGLBSA-N -1 0 315.337 -0.026 20 0 DBADRM CNC(=O)c1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cn1 ZINC000539327173 381351332 /nfs/dbraw/zinc/35/13/32/381351332.db2.gz VOLNOTARTQOLBN-JTQLQIEISA-N -1 0 315.337 -0.026 20 0 DBADRM Cn1nccc1COCC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000630164653 381351785 /nfs/dbraw/zinc/35/17/85/381351785.db2.gz YZGHIFXLONCPDK-MFKMUULPSA-N -1 0 311.338 -0.067 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCC2(CS(C)(=O)=O)CC2)O[C@H]1C(=O)[O-] ZINC000630154502 381352565 /nfs/dbraw/zinc/35/25/65/381352565.db2.gz ZCMGKQYKIFCOBF-OPRDCNLKSA-N -1 0 319.379 -0.194 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)Cc1ccnn1C)C(=O)[O-] ZINC000630171022 381353228 /nfs/dbraw/zinc/35/32/28/381353228.db2.gz QEVSDPFCEXHXFQ-NSHDSACASA-N -1 0 310.354 -0.306 20 0 DBADRM CCS(=O)(=O)C1(CNC(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC000630211917 381364694 /nfs/dbraw/zinc/36/46/94/381364694.db2.gz RNCIFSQTDYJJRX-UHFFFAOYSA-N -1 0 315.351 -0.335 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CC[C@H](Cn3ccnn3)C2)c1 ZINC000630204725 381365336 /nfs/dbraw/zinc/36/53/36/381365336.db2.gz VQPBKAPJWMTXFD-JTQLQIEISA-N -1 0 304.310 -0.279 20 0 DBADRM CC(C)(C(=O)[O-])N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000630223758 381366021 /nfs/dbraw/zinc/36/60/21/381366021.db2.gz LIDFWLBTUFISTF-SNVBAGLBSA-N -1 0 318.395 -0.572 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000630223244 381366124 /nfs/dbraw/zinc/36/61/24/381366124.db2.gz GKOZYYANLJHVLV-UHFFFAOYSA-N -1 0 320.411 -0.181 20 0 DBADRM O=C([O-])[C@H](C[C@H]1CCCOC1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000630268561 381379070 /nfs/dbraw/zinc/37/90/70/381379070.db2.gz ATXPKSOHVDMTQR-BBBLOLIVSA-N -1 0 320.367 -0.936 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC000630232739 381369003 /nfs/dbraw/zinc/36/90/03/381369003.db2.gz NMNHDZBMYWJHIC-UHFFFAOYSA-N -1 0 314.363 -0.179 20 0 DBADRM O=C([O-])[C@H]1c2ccoc2CCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000630235907 381369138 /nfs/dbraw/zinc/36/91/38/381369138.db2.gz BFWBHUFBJSRHMK-WCBMZHEXSA-N -1 0 314.319 -0.518 20 0 DBADRM COCCN(CCOC)S(=O)(=O)NCc1nnc(C)s1 ZINC000540941025 381373064 /nfs/dbraw/zinc/37/30/64/381373064.db2.gz LUGIVGIWQTZODB-UHFFFAOYSA-N -1 0 324.428 -0.224 20 0 DBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-] ZINC000540983725 381375146 /nfs/dbraw/zinc/37/51/46/381375146.db2.gz VHZJLMKONGUJCB-MNOVXSKESA-N -1 0 318.351 -0.017 20 0 DBADRM COc1cncc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000540983312 381375226 /nfs/dbraw/zinc/37/52/26/381375226.db2.gz RITZDIDFTPAPAW-KCJUWKMLSA-N -1 0 316.335 -0.142 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CC2(CS(C)(=O)=O)CC2)C1 ZINC000630250951 381375440 /nfs/dbraw/zinc/37/54/40/381375440.db2.gz DQCVKTAJTFQEGE-CYBMUJFWSA-N -1 0 319.379 -0.097 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NCCOCC(=O)[O-])s1 ZINC000630261855 381376574 /nfs/dbraw/zinc/37/65/74/381376574.db2.gz DXVSTJXXHKANPO-UHFFFAOYSA-N -1 0 307.349 -0.017 20 0 DBADRM CC(C)(C)N1CC[C@H](NC(=O)Cn2cc(C(=O)[O-])nn2)C1=O ZINC000630262158 381377179 /nfs/dbraw/zinc/37/71/79/381377179.db2.gz KIPRBQJNWPCTIX-QMMMGPOBSA-N -1 0 309.326 -0.508 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2ccnn2C)CC[C@H]1C(=O)[O-] ZINC000627263804 381343294 /nfs/dbraw/zinc/34/32/94/381343294.db2.gz JGEPSZLTVQKKRH-GXSJLCMTSA-N -1 0 308.338 -0.395 20 0 DBADRM CS(=O)(=O)NCCC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000543065352 381408139 /nfs/dbraw/zinc/40/81/39/381408139.db2.gz JRNONXKGMNKOPQ-JOYOIKCWSA-N -1 0 304.368 -0.361 20 0 DBADRM CC(=O)NCCN(C(=O)[C@@H](C)c1cnn(C)c1)[C@H](C)C(=O)[O-] ZINC000543752372 381417477 /nfs/dbraw/zinc/41/74/77/381417477.db2.gz SYHYHOWTDCHGGY-VHSXEESVSA-N -1 0 310.354 -0.039 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000627267331 381380809 /nfs/dbraw/zinc/38/08/09/381380809.db2.gz MRCYDEMZJDMJPK-MXWKQRLJSA-N -1 0 300.355 -0.046 20 0 DBADRM C[C@@H]1CN(C(=O)C2(n3cnnn3)CCOCC2)C[C@@]1(C)C(=O)[O-] ZINC000630304560 381383737 /nfs/dbraw/zinc/38/37/37/381383737.db2.gz KJHNLJCRANEMGQ-ZWNOBZJWSA-N -1 0 323.353 -0.252 20 0 DBADRM CCn1nc(C(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)[O-])ccc1=O ZINC000630310388 381385745 /nfs/dbraw/zinc/38/57/45/381385745.db2.gz NPGHAQKFWJLWJZ-LKFCYVNXSA-N -1 0 309.322 -0.033 20 0 DBADRM CO[C@@H]1CN(C(=O)CCCS(C)(=O)=O)[C@](C)(C(=O)[O-])C1 ZINC000630307581 381386402 /nfs/dbraw/zinc/38/64/02/381386402.db2.gz ALFONZZNJPDTIE-CABZTGNLSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)N(CC(=O)[O-])S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000630441875 381416196 /nfs/dbraw/zinc/41/61/96/381416196.db2.gz CHLWSQNASIPLBB-SNVBAGLBSA-N -1 0 304.368 -0.126 20 0 DBADRM CO[C@H]1CN(C(=O)c2ccc(C(N)=O)cn2)[C@](C)(C(=O)[O-])C1 ZINC000630313145 381387900 /nfs/dbraw/zinc/38/79/00/381387900.db2.gz WVMGPCBLBCYNJW-OTYXRUKQSA-N -1 0 307.306 -0.115 20 0 DBADRM CO[C@H]1CN(C(=O)CN2CCCS2(=O)=O)[C@@](C)(C(=O)[O-])C1 ZINC000630314084 381387947 /nfs/dbraw/zinc/38/79/47/381387947.db2.gz XLPWYKUIJWZJHC-BXKDBHETSA-N -1 0 320.367 -0.888 20 0 DBADRM CO[C@H]1CN(C(=O)CS(=O)(=O)C(C)C)[C@@](C)(C(=O)[O-])C1 ZINC000630312470 381388127 /nfs/dbraw/zinc/38/81/27/381388127.db2.gz OVUWCWXAZRTXFK-BXKDBHETSA-N -1 0 307.368 -0.100 20 0 DBADRM CO[C@H]1CN(C(=O)CN2CCCS2(=O)=O)[C@](C)(C(=O)[O-])C1 ZINC000630314087 381388326 /nfs/dbraw/zinc/38/83/26/381388326.db2.gz XLPWYKUIJWZJHC-SKDRFNHKSA-N -1 0 320.367 -0.888 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)c2ccn3nnnc3c2)CCCOC1 ZINC000630337646 381389979 /nfs/dbraw/zinc/38/99/79/381389979.db2.gz AKJYRNLULKJFDP-CYBMUJFWSA-N -1 0 305.294 -0.265 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)[C@@H]2CCCCS2(=O)=O)CCCOC1 ZINC000630337180 381390049 /nfs/dbraw/zinc/39/00/49/381390049.db2.gz JLDOWTHGKZOXJC-GWCFXTLKSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)CCCOC1 ZINC000630335304 381390155 /nfs/dbraw/zinc/39/01/55/381390155.db2.gz HSUKANYPGKQGBI-MEBBXXQBSA-N -1 0 310.350 -0.005 20 0 DBADRM CC(=O)NCCN(C(=O)c1cn2cccnc2n1)[C@@H](C)C(=O)[O-] ZINC000542824379 381400230 /nfs/dbraw/zinc/40/02/30/381400230.db2.gz FYZZHOFUOFFTSU-VIFPVBQESA-N -1 0 319.321 -0.219 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2cnn(C)c2)CC[C@H]1C(=O)[O-] ZINC000627268183 381421018 /nfs/dbraw/zinc/42/10/18/381421018.db2.gz YNQJXTBXANJBMX-GXSJLCMTSA-N -1 0 308.338 -0.395 20 0 DBADRM C[C@H](C(=O)NC(N)=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000131651236 381429211 /nfs/dbraw/zinc/42/92/11/381429211.db2.gz UHZYJBQFUZFFOT-ZCFIWIBFSA-N -1 0 309.351 0.000 20 0 DBADRM COCCOc1ccccc1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000547555662 381484916 /nfs/dbraw/zinc/48/49/16/381484916.db2.gz DMWOLKOXFCZYKR-VIFPVBQESA-N -1 0 319.335 -0.564 20 0 DBADRM CN(C)S(=O)(=O)N[C@H](Cc1c[nH]c2ncccc12)C(=O)[O-] ZINC000547546125 381485014 /nfs/dbraw/zinc/48/50/14/381485014.db2.gz RBKXRDJRCUXOQJ-SNVBAGLBSA-N -1 0 312.351 -0.045 20 0 DBADRM Cc1cnn(C[C@@H](NS(=O)(=O)N2CC[C@H](C)C2)C(=O)[O-])c1 ZINC000547558108 381485115 /nfs/dbraw/zinc/48/51/15/381485115.db2.gz SPYLRSFNXUQGJL-GXSJLCMTSA-N -1 0 316.383 -0.179 20 0 DBADRM N#Cc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c(F)c1 ZINC000547553508 381485446 /nfs/dbraw/zinc/48/54/46/381485446.db2.gz VPDANNZJUUJQKL-VIFPVBQESA-N -1 0 302.283 -0.189 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-] ZINC000547560959 381484491 /nfs/dbraw/zinc/48/44/91/381484491.db2.gz KYRSPBCWNFGZAD-SSDOTTSWSA-N -1 0 307.280 -0.556 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-] ZINC000547548773 381484637 /nfs/dbraw/zinc/48/46/37/381484637.db2.gz SQMWDXBZVVNLOH-MRVPVSSYSA-N -1 0 303.340 -0.260 20 0 DBADRM COCC[C@@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-] ZINC000547554170 381484773 /nfs/dbraw/zinc/48/47/73/381484773.db2.gz YNADGWJSYXJCRL-SECBINFHSA-N -1 0 323.367 -0.261 20 0 DBADRM CCCCCS(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-] ZINC000547550246 381484854 /nfs/dbraw/zinc/48/48/54/381484854.db2.gz BGHGLOJBUOCYLT-LLVKDONJSA-N -1 0 308.400 -0.119 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H]1COCCO1 ZINC000134691490 381484893 /nfs/dbraw/zinc/48/48/93/381484893.db2.gz JLDCVTTTYSCNPO-ZETCQYMHSA-N -1 0 322.364 -0.377 20 0 DBADRM CCN(CC1CC1)S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000547928682 381503879 /nfs/dbraw/zinc/50/38/79/381503879.db2.gz PSRLNOIZXXKKFT-DGIBIBHMSA-N -1 0 324.424 -0.519 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@H](C)[C@H]1C(=O)[O-] ZINC000547919361 381504336 /nfs/dbraw/zinc/50/43/36/381504336.db2.gz HCAJZDJMMXOKIN-QWRGUYRKSA-N -1 0 324.399 -0.379 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)OC)cs1)C(=O)[O-] ZINC000548212729 381520336 /nfs/dbraw/zinc/52/03/36/381520336.db2.gz REZQUOMIPDAHOS-ZETCQYMHSA-N -1 0 323.348 -0.087 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CC1CCC1 ZINC000547930392 381504835 /nfs/dbraw/zinc/50/48/35/381504835.db2.gz HZGIHRYHUXHQSY-VIFPVBQESA-N -1 0 311.381 -0.700 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-] ZINC000547963877 381506006 /nfs/dbraw/zinc/50/60/06/381506006.db2.gz ZUQHGCYHBVCAJB-ZETCQYMHSA-N -1 0 313.282 -0.474 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCCn2ccnn2)CC[C@H]1C(=O)[O-] ZINC000627273086 381520458 /nfs/dbraw/zinc/52/04/58/381520458.db2.gz ZQWBAHKGTIEPCL-GHMZBOCLSA-N -1 0 323.353 -0.646 20 0 DBADRM C[C@@](CO)(CNS(=O)(=O)c1cncc(F)c1)CC(=O)[O-] ZINC000548030196 381511301 /nfs/dbraw/zinc/51/13/01/381511301.db2.gz ZYWVETUCHDALKC-NSHDSACASA-N -1 0 306.315 -0.028 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)ncn1 ZINC000627272074 381514292 /nfs/dbraw/zinc/51/42/92/381514292.db2.gz HMKYAWGKDLTEDS-BXKDBHETSA-N -1 0 320.349 -0.030 20 0 DBADRM Cc1cc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)ncn1 ZINC000627272075 381515801 /nfs/dbraw/zinc/51/58/01/381515801.db2.gz HMKYAWGKDLTEDS-CABZTGNLSA-N -1 0 320.349 -0.030 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)Cc1ccc(F)cc1F)C(=O)[O-] ZINC000548201368 381518166 /nfs/dbraw/zinc/51/81/66/381518166.db2.gz MFILIURYDIXZMU-VIFPVBQESA-N -1 0 322.289 -0.287 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000548212550 381519116 /nfs/dbraw/zinc/51/91/16/381519116.db2.gz AAPHQAWAIRPFLJ-VHSXEESVSA-N -1 0 319.383 -0.904 20 0 DBADRM CCc1noc2ncc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc12 ZINC000548202584 381519324 /nfs/dbraw/zinc/51/93/24/381519324.db2.gz IJLKVECVDDUMLS-SECBINFHSA-N -1 0 315.307 -0.491 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)N[C@H](COC)C(=O)[O-])o1 ZINC000547561934 381486606 /nfs/dbraw/zinc/48/66/06/381486606.db2.gz KPEZSJNUOMIBJW-SSDOTTSWSA-N -1 0 321.307 -0.166 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H](C(=O)[O-])C1CCC1 ZINC000547589905 381486663 /nfs/dbraw/zinc/48/66/63/381486663.db2.gz WIUFRVIIFDTHSU-VIFPVBQESA-N -1 0 313.397 -0.406 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])c[nH]1 ZINC000547572867 381486820 /nfs/dbraw/zinc/48/68/20/381486820.db2.gz GNVIJYTZUZOWKZ-MRVPVSSYSA-N -1 0 306.296 -0.821 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000547597285 381486848 /nfs/dbraw/zinc/48/68/48/381486848.db2.gz MOTFENOVGQGCFP-LPEHRKFASA-N -1 0 322.383 -0.608 20 0 DBADRM CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC000547585514 381486896 /nfs/dbraw/zinc/48/68/96/381486896.db2.gz QVZXBIZVUVUQKX-SECBINFHSA-N -1 0 315.413 -0.207 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)[O-] ZINC000547582345 381487097 /nfs/dbraw/zinc/48/70/97/381487097.db2.gz NGYUJCKBLYFZTI-RKDXNWHRSA-N -1 0 305.356 -0.081 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)C[C@H]1CCCCO1)C(=O)[O-] ZINC000547574252 381487153 /nfs/dbraw/zinc/48/71/53/381487153.db2.gz BVOSQOGTPCACBI-NXEZZACHSA-N -1 0 323.367 -0.119 20 0 DBADRM COCCCCS(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000547606203 381488068 /nfs/dbraw/zinc/48/80/68/381488068.db2.gz GQLPSGIPWXLTMO-YYSFKGJASA-N -1 0 313.397 -0.740 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)Cc1cc(C)no1)C(=O)[O-] ZINC000548210644 381519583 /nfs/dbraw/zinc/51/95/83/381519583.db2.gz VRCOEUHIXNRDFI-QMMMGPOBSA-N -1 0 306.296 -0.581 20 0 DBADRM COCCCCS(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000547606198 381488590 /nfs/dbraw/zinc/48/85/90/381488590.db2.gz GQLPSGIPWXLTMO-DYBLOJMWSA-N -1 0 313.397 -0.740 20 0 DBADRM Cn1cc(C[C@@H](NS(=O)(=O)c2ccc(N)cc2)C(=O)[O-])cn1 ZINC000547613296 381488702 /nfs/dbraw/zinc/48/87/02/381488702.db2.gz SRMNBNMFVASHIO-GFCCVEGCSA-N -1 0 324.362 -0.024 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N(C)CC(C)(C)C(=O)[O-] ZINC000547603823 381488759 /nfs/dbraw/zinc/48/87/59/381488759.db2.gz BXGHBEKOCJQLOT-UHFFFAOYSA-N -1 0 310.372 -0.231 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])cn1C ZINC000548203233 381519676 /nfs/dbraw/zinc/51/96/76/381519676.db2.gz QQNRYBOQRHITRK-VHSXEESVSA-N -1 0 317.367 -0.113 20 0 DBADRM Cc1nc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)cn1C ZINC000548205470 381519730 /nfs/dbraw/zinc/51/97/30/381519730.db2.gz ZVPZFUKLIBUSSY-WCBMZHEXSA-N -1 0 303.340 -0.503 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc2ncccc2c1 ZINC000547868943 381500203 /nfs/dbraw/zinc/50/02/03/381500203.db2.gz AQHBDNSZXBJCHP-UHFFFAOYSA-N -1 0 323.330 -0.286 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547876647 381500702 /nfs/dbraw/zinc/50/07/02/381500702.db2.gz OENWGXMIKKBKPE-DTWKUNHWSA-N -1 0 303.340 -0.205 20 0 DBADRM Cc1cc(C)n(C[C@@H](NS(=O)(=O)[C@H]2CCOC2)C(=O)[O-])n1 ZINC000548220122 381520217 /nfs/dbraw/zinc/52/02/17/381520217.db2.gz ZEGYMGREJRJWMA-WDEREUQCSA-N -1 0 317.367 -0.339 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548201721 381520259 /nfs/dbraw/zinc/52/02/59/381520259.db2.gz SBTXTHGHVRLBLN-UWVGGRQHSA-N -1 0 310.372 -0.721 20 0 DBADRM CCn1cc(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])cn1 ZINC000547906405 381502163 /nfs/dbraw/zinc/50/21/63/381502163.db2.gz OYJPCRHJNFZSDM-VIFPVBQESA-N -1 0 305.356 -0.251 20 0 DBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000547891542 381502464 /nfs/dbraw/zinc/50/24/64/381502464.db2.gz ITVBDILZPMPACT-MRVPVSSYSA-N -1 0 317.323 -0.272 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000547905995 381502569 /nfs/dbraw/zinc/50/25/69/381502569.db2.gz CIWUECLJGBYBTE-VIFPVBQESA-N -1 0 319.339 -0.460 20 0 DBADRM Cn1cc(C[C@@H](CNS(=O)(=O)N2CCCC2)C(=O)[O-])cn1 ZINC000548544038 381537121 /nfs/dbraw/zinc/53/71/21/381537121.db2.gz SDBPTTVNOBQUCJ-NSHDSACASA-N -1 0 316.383 -0.406 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548537347 381537137 /nfs/dbraw/zinc/53/71/37/381537137.db2.gz SYDRIZKNEQQGMH-OPRDCNLKSA-N -1 0 323.367 -0.405 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-] ZINC000548549510 381537281 /nfs/dbraw/zinc/53/72/81/381537281.db2.gz IQXWZDTVBMCMFH-VIFPVBQESA-N -1 0 316.291 -0.089 20 0 DBADRM COCCOCCS(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-] ZINC000548542771 381537524 /nfs/dbraw/zinc/53/75/24/381537524.db2.gz BFYFXJDNZJKDGT-NSHDSACASA-N -1 0 321.351 -0.142 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)cn1 ZINC000548538324 381537552 /nfs/dbraw/zinc/53/75/52/381537552.db2.gz JFPWGWZCASJAFJ-WCBMZHEXSA-N -1 0 303.340 -0.329 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000548567952 381540135 /nfs/dbraw/zinc/54/01/35/381540135.db2.gz QSSUSZCFRGDZCR-YUMQZZPRSA-N -1 0 313.397 -0.079 20 0 DBADRM C[C@H](CCC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O ZINC000548596980 381541197 /nfs/dbraw/zinc/54/11/97/381541197.db2.gz XMFNUYJPVHLXAT-MRVPVSSYSA-N -1 0 301.386 -0.406 20 0 DBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)N1CCCCCC1 ZINC000548586892 381541590 /nfs/dbraw/zinc/54/15/90/381541590.db2.gz MSMXUNLSRAIALN-APBUJDDRSA-N -1 0 324.424 -0.375 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])C1 ZINC000548586605 381541790 /nfs/dbraw/zinc/54/17/90/381541790.db2.gz XIQAFLXUGVDFKR-QGRDJGHBSA-N -1 0 324.424 -0.519 20 0 DBADRM CC[C@@H](C)CS(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000548584795 381541849 /nfs/dbraw/zinc/54/18/49/381541849.db2.gz FYDVMONKKZJTFF-BDAKNGLRSA-N -1 0 313.397 -0.454 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCCSCC(=O)[O-] ZINC000548597325 381541896 /nfs/dbraw/zinc/54/18/96/381541896.db2.gz IPUHZEDEJQNYPQ-UHFFFAOYSA-N -1 0 314.385 -0.867 20 0 DBADRM Cn1ncc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c1-n1cccc1 ZINC000080974437 381552644 /nfs/dbraw/zinc/55/26/44/381552644.db2.gz JCBYERJXUCRQQD-UHFFFAOYSA-N -1 0 315.337 -0.015 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@](C)(O)Cn1ccccc1=O)c1nnn[n-]1 ZINC000548720311 381545964 /nfs/dbraw/zinc/54/59/64/381545964.db2.gz IRQPQOWYIXGMQI-HZMBPMFUSA-N -1 0 320.353 -0.626 20 0 DBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)CCCCF ZINC000548769779 381549807 /nfs/dbraw/zinc/54/98/07/381549807.db2.gz HTXQLOCUNWDJEZ-RBHXEPJQSA-N -1 0 301.361 -0.417 20 0 DBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000548232367 381521393 /nfs/dbraw/zinc/52/13/93/381521393.db2.gz NYSFGUBLHAQHAL-VHSXEESVSA-N -1 0 323.367 -0.573 20 0 DBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N1CCOC(C)(C)C1 ZINC000548250599 381521626 /nfs/dbraw/zinc/52/16/26/381521626.db2.gz QYDYAGCCDXUJQP-JTQLQIEISA-N -1 0 324.399 -0.237 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)CCCS(C)(=O)=O)[C@H]1C(=O)[O-] ZINC000548249126 381521970 /nfs/dbraw/zinc/52/19/70/381521970.db2.gz MBCQSAJAYLKLFM-DTWKUNHWSA-N -1 0 313.397 -0.454 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-] ZINC000548268985 381523905 /nfs/dbraw/zinc/52/39/05/381523905.db2.gz YTLZZBSAQDZKMP-PSASIEDQSA-N -1 0 317.367 -0.135 20 0 DBADRM O=C([O-])[C@H](C[C@@H]1CCOC1)NS(=O)(=O)C[C@@H]1CCCO1 ZINC000548528549 381536258 /nfs/dbraw/zinc/53/62/58/381536258.db2.gz CHKVHUDNHXLLDE-DCAQKATOSA-N -1 0 307.368 -0.035 20 0 DBADRM CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@@H]1CCNC1=O ZINC000551028810 381575763 /nfs/dbraw/zinc/57/57/63/381575763.db2.gz JAELFYWVALPBDV-SNVBAGLBSA-N -1 0 308.363 -0.171 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCN(Cc2cscn2)CC1 ZINC000630812185 381576504 /nfs/dbraw/zinc/57/65/04/381576504.db2.gz VURMMVRHAAEBIK-UHFFFAOYSA-N -1 0 307.383 -0.067 20 0 DBADRM C[C@H]1OCCN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)[C@@H]1C(=O)[O-] ZINC000551246464 381578600 /nfs/dbraw/zinc/57/86/00/381578600.db2.gz ZIFDRVMISATCRV-UTLUCORTSA-N -1 0 320.367 -0.601 20 0 DBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1cccc2c1OCO2 ZINC000548876320 381554095 /nfs/dbraw/zinc/55/40/95/381554095.db2.gz YNZRWPBVJONFNL-QMMMGPOBSA-N -1 0 315.303 -0.111 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)O)CC[C@H]1C(=O)[O-] ZINC000627274891 381568100 /nfs/dbraw/zinc/56/81/00/381568100.db2.gz ZQZLBWSTDFWYBZ-NXEZZACHSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCC(C)(C)O)CC[C@H]1C(=O)[O-] ZINC000627274893 381568142 /nfs/dbraw/zinc/56/81/42/381568142.db2.gz ZQZLBWSTDFWYBZ-VHSXEESVSA-N -1 0 300.355 -0.167 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])nc1C ZINC000088376770 381602261 /nfs/dbraw/zinc/60/22/61/381602261.db2.gz OUPKXYBJYBXSAV-SECBINFHSA-N -1 0 303.340 -0.314 20 0 DBADRM C[C@H](O)CN1CCN(S(=O)(=O)[N-]CC(F)(F)F)C[C@@H]1C ZINC000249636011 381602596 /nfs/dbraw/zinc/60/25/96/381602596.db2.gz WOCLHDCOQJQYBX-IUCAKERBSA-N -1 0 319.349 -0.230 20 0 DBADRM CCCN(CC(N)=O)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000615207858 381597215 /nfs/dbraw/zinc/59/72/15/381597215.db2.gz SQXMJGRITDQPQP-UHFFFAOYSA-N -1 0 315.351 -0.623 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000627276445 381619157 /nfs/dbraw/zinc/61/91/57/381619157.db2.gz FNAKBAULBNYGSD-SNVBAGLBSA-N -1 0 311.338 -0.763 20 0 DBADRM CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)CCc1nnn[n-]1 ZINC000630868868 381623537 /nfs/dbraw/zinc/62/35/37/381623537.db2.gz RAQXGGHVJOOECB-VIFPVBQESA-N -1 0 312.399 -0.099 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Cn1nc2ccccn2c1=O ZINC000262381221 381625741 /nfs/dbraw/zinc/62/57/41/381625741.db2.gz YTOZRFJSZQEEOK-VHSXEESVSA-N -1 0 304.306 -0.182 20 0 DBADRM Cc1c(C(=O)N[C@@H](C)C(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000566300441 381649588 /nfs/dbraw/zinc/64/95/88/381649588.db2.gz LCNUMHOYALRESF-ZETCQYMHSA-N -1 0 320.305 -0.856 20 0 DBADRM C[C@H]1CCN(C(=O)NCC(=O)N2CCOCC2)C[C@H]1C(=O)[O-] ZINC000566181498 381640213 /nfs/dbraw/zinc/64/02/13/381640213.db2.gz MXJYIIRZPIZJMV-WDEREUQCSA-N -1 0 313.354 -0.403 20 0 DBADRM Cn1cc(N2CCN(C(=O)C(=O)NCCCC(=O)[O-])CC2)cn1 ZINC000566237093 381646253 /nfs/dbraw/zinc/64/62/53/381646253.db2.gz LZLRIEURZKIPKC-UHFFFAOYSA-N -1 0 323.353 -0.950 20 0 DBADRM NC(=O)c1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cc1 ZINC000566237194 381646298 /nfs/dbraw/zinc/64/62/98/381646298.db2.gz MSWOGLNLWQSZLP-UHFFFAOYSA-N -1 0 307.306 -0.617 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-]c1cn(C)nc1C(N)=O)C1CC1 ZINC000566561933 381664059 /nfs/dbraw/zinc/66/40/59/381664059.db2.gz XGTRIUNGMOIQMZ-SECBINFHSA-N -1 0 302.356 -0.314 20 0 DBADRM COC(=O)C1(CNC(=O)CSCC(=O)[O-])CCOCC1 ZINC000566620240 381665878 /nfs/dbraw/zinc/66/58/78/381665878.db2.gz UEYXFMJJKIZSLB-UHFFFAOYSA-N -1 0 305.352 -0.110 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)c1cccc2c1OCC2 ZINC000566671991 381667911 /nfs/dbraw/zinc/66/79/11/381667911.db2.gz JKDMSLPDDVJTPU-UHFFFAOYSA-N -1 0 301.320 -0.311 20 0 DBADRM CCn1cc(-c2n[nH]cc2C(=O)NC[C@](C)(O)C(=O)[O-])cn1 ZINC000566737724 381670339 /nfs/dbraw/zinc/67/03/39/381670339.db2.gz LSGLMYFGCCXLGA-ZDUSSCGKSA-N -1 0 307.310 -0.142 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2csnc2C(=O)[O-])CCO1 ZINC000566794444 381671602 /nfs/dbraw/zinc/67/16/02/381671602.db2.gz DPBVATYMCKMKCI-ZETCQYMHSA-N -1 0 322.364 -0.123 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2CCCOC2)C1 ZINC000567687593 381709205 /nfs/dbraw/zinc/70/92/05/381709205.db2.gz YWZORBYVOBIORG-PWSUYJOCSA-N -1 0 307.368 -0.082 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N(C)CC2CC2)C1 ZINC000567687515 381709460 /nfs/dbraw/zinc/70/94/60/381709460.db2.gz PFTWBSLOHFKGQI-GFCCVEGCSA-N -1 0 306.384 -0.004 20 0 DBADRM Cc1c(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)cnn1C ZINC000312999587 381711802 /nfs/dbraw/zinc/71/18/02/381711802.db2.gz NEJIMTMONUMNFV-UHFFFAOYSA-N -1 0 303.340 -0.359 20 0 DBADRM C[C@H]1CCN(C(=O)NCCCCS(N)(=O)=O)C[C@H]1C(=O)[O-] ZINC000567382362 381693545 /nfs/dbraw/zinc/69/35/45/381693545.db2.gz DMTLDPZZIZWFEK-VHSXEESVSA-N -1 0 321.399 -0.193 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCCO2)C[C@H]1C(=O)[O-] ZINC000567386972 381695900 /nfs/dbraw/zinc/69/59/00/381695900.db2.gz VHGXCTOKVNJVRM-GMTAPVOTSA-N -1 0 314.338 -0.913 20 0 DBADRM COC(C)(C)CS(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000568002976 381728466 /nfs/dbraw/zinc/72/84/66/381728466.db2.gz SABPMRGMYKBFLB-VIFPVBQESA-N -1 0 305.356 -0.110 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC(C)(C)[C@H]1C(=O)[O-] ZINC000568000916 381728902 /nfs/dbraw/zinc/72/89/02/381728902.db2.gz FMBKNISFOZJPJO-DTWKUNHWSA-N -1 0 306.384 -0.022 20 0 DBADRM CNC(=O)c1ccc(CS(=O)(=O)N2CC(C(=O)[O-])C2)cc1 ZINC000568002570 381729418 /nfs/dbraw/zinc/72/94/18/381729418.db2.gz GDLGJGXMCXCLSR-UHFFFAOYSA-N -1 0 312.347 -0.108 20 0 DBADRM CO[C@@H](CNS(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-] ZINC000568096223 381734509 /nfs/dbraw/zinc/73/45/09/381734509.db2.gz UHDRSTDRXSOUDO-LURJTMIESA-N -1 0 323.352 -0.521 20 0 DBADRM NC(=O)[C@@]1([N-]S(=O)(=O)c2c(F)cccc2F)CCOC1 ZINC000568240479 381747259 /nfs/dbraw/zinc/74/72/59/381747259.db2.gz NYBMOIAVUJKALQ-LLVKDONJSA-N -1 0 306.290 -0.113 20 0 DBADRM COC[C@H](NS(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-] ZINC000158594855 381747939 /nfs/dbraw/zinc/74/79/39/381747939.db2.gz JFQDOZHCKHFWLO-LBPRGKRZSA-N -1 0 314.363 -0.021 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000158601585 381748024 /nfs/dbraw/zinc/74/80/24/381748024.db2.gz BHCZIZIIIAUTQT-VIFPVBQESA-N -1 0 302.308 -0.837 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1 ZINC000568284589 381754106 /nfs/dbraw/zinc/75/41/06/381754106.db2.gz JIUVXSPUXQLTFH-ZKCHVHJHSA-N -1 0 315.351 -0.142 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000567844530 381718487 /nfs/dbraw/zinc/71/84/87/381718487.db2.gz QIPVETUMNXVTAK-JTQLQIEISA-N -1 0 311.338 -1.000 20 0 DBADRM CN(C)S(=O)(=O)c1cc(C(=O)N(C)CC(=O)[O-])n(C)c1 ZINC000567863513 381719930 /nfs/dbraw/zinc/71/99/30/381719930.db2.gz SESTURQXQSYJGD-UHFFFAOYSA-N -1 0 303.340 -0.568 20 0 DBADRM Cn1cc(N2CCN(C(=O)c3cnc(C(=O)[O-])cn3)CC2)cn1 ZINC000569102973 381787142 /nfs/dbraw/zinc/78/71/42/381787142.db2.gz XWXFZZOJBBOLTO-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCn3ncnc3C2)C[C@H]1C(=O)[O-] ZINC000569103490 381787268 /nfs/dbraw/zinc/78/72/68/381787268.db2.gz IVNXBJJGZHPDKZ-VHSXEESVSA-N -1 0 321.337 -0.811 20 0 DBADRM C[C@@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000569110202 381787686 /nfs/dbraw/zinc/78/76/86/381787686.db2.gz GKLRYLRQSPHWMJ-PSASIEDQSA-N -1 0 302.356 -0.136 20 0 DBADRM Cc1c(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)cnn1C ZINC000569110107 381787791 /nfs/dbraw/zinc/78/77/91/381787791.db2.gz FFPNAHURRVSRKD-ONGXEEELSA-N -1 0 317.367 -0.113 20 0 DBADRM C[C@H](O)[C@H]1CCN(c2cc(NC[C@](C)(O)C(=O)[O-])ncn2)C1 ZINC000569225357 381792585 /nfs/dbraw/zinc/79/25/85/381792585.db2.gz JSCHTZAVTQZGMQ-BHDSKKPTSA-N -1 0 310.354 -0.069 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000572812585 381800696 /nfs/dbraw/zinc/80/06/96/381800696.db2.gz QXPCNXDNKFTDEQ-SCZZXKLOSA-N -1 0 303.340 -0.436 20 0 DBADRM Cc1c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C(=O)[O-])cnn1C ZINC000568632341 381768131 /nfs/dbraw/zinc/76/81/31/381768131.db2.gz NKAXHLMXHRYDJA-OVYXKVPISA-N -1 0 317.367 -0.020 20 0 DBADRM CCc1nc([C@@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)CCO2)n[nH]1 ZINC000568762083 381772689 /nfs/dbraw/zinc/77/26/89/381772689.db2.gz VWKKHJVSICTODO-AEJSXWLSSA-N -1 0 324.337 -0.101 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)nn1 ZINC000568752851 381772959 /nfs/dbraw/zinc/77/29/59/381772959.db2.gz HECXKXNSSHFPQE-IUCAKERBSA-N -1 0 310.310 -0.224 20 0 DBADRM CC(C)CN(C)S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000573266458 381820218 /nfs/dbraw/zinc/82/02/18/381820218.db2.gz AFBIICGICRTWMU-MNOVXSKESA-N -1 0 308.400 -0.024 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cn(C)nc1C ZINC000573243905 381820755 /nfs/dbraw/zinc/82/07/55/381820755.db2.gz HBYNQOSIDKFAJR-LLVKDONJSA-N -1 0 305.356 -0.113 20 0 DBADRM CC1CCN(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)CC1 ZINC000167253202 381822534 /nfs/dbraw/zinc/82/25/34/381822534.db2.gz AWFVVDUMKOXYRM-UHFFFAOYSA-N -1 0 317.371 -0.571 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)[C@H]1C(=O)[O-] ZINC000299899608 381824666 /nfs/dbraw/zinc/82/46/66/381824666.db2.gz BENQMQGKNFPHIA-OIBJUYFYSA-N -1 0 315.351 -0.392 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)CCCN1CCOCC1 ZINC000573443119 381826137 /nfs/dbraw/zinc/82/61/37/381826137.db2.gz VQIACRVGUYMOKY-UHFFFAOYSA-N -1 0 308.400 -0.165 20 0 DBADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)N1CCOCC1 ZINC000299921904 381827233 /nfs/dbraw/zinc/82/72/33/381827233.db2.gz QZCRNFWBTCTVOG-DCAQKATOSA-N -1 0 304.368 -0.252 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)N[C@]2(CO)CCOC2)s[n-]1 ZINC000573672449 381837168 /nfs/dbraw/zinc/83/71/68/381837168.db2.gz IDNWAXUHCVQTOC-HQJQHLMTSA-N -1 0 302.356 -0.060 20 0 DBADRM CS(=O)(=O)c1cccnc1NCCn1cc(C(=O)[O-])nn1 ZINC000168332110 381840565 /nfs/dbraw/zinc/84/05/65/381840565.db2.gz ABEJSWLUICTLJZ-UHFFFAOYSA-N -1 0 311.323 -0.113 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1)C(=O)[O-] ZINC000573801634 381841335 /nfs/dbraw/zinc/84/13/35/381841335.db2.gz GPOUEROKBOUGLB-SNVBAGLBSA-N -1 0 307.306 -0.368 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)CC(C)(C)OC)C(=O)[O-] ZINC000573925218 381845516 /nfs/dbraw/zinc/84/55/16/381845516.db2.gz RUTDZPSZXQVSIJ-QMMMGPOBSA-N -1 0 311.356 -0.263 20 0 DBADRM CN(CC(=O)NCCc1nc(=O)o[n-]1)C(=O)c1cccs1 ZINC000572894926 381805245 /nfs/dbraw/zinc/80/52/45/381805245.db2.gz PZGLWLSDOJBGDV-UHFFFAOYSA-N -1 0 310.335 -0.145 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000294173880 381807124 /nfs/dbraw/zinc/80/71/24/381807124.db2.gz BBCKWYVPOGJZJP-ZCFIWIBFSA-N -1 0 308.337 -0.254 20 0 DBADRM Cc1noc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000573120277 381814821 /nfs/dbraw/zinc/81/48/21/381814821.db2.gz KTHDRZKOKIUOHL-APPZFPTMSA-N -1 0 310.310 -0.437 20 0 DBADRM COC(=O)[C@H](NC(=O)c1n[nH]c(=O)[n-]1)[C@H]1CCC[C@@H](OC)C1 ZINC000574885537 381882180 /nfs/dbraw/zinc/88/21/80/381882180.db2.gz IAOKTGIZJCWHBW-DJLDLDEBSA-N -1 0 312.326 -0.013 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H](C)c1ccnn1C)[C@H](C)C(=O)[O-] ZINC000573965981 381847623 /nfs/dbraw/zinc/84/76/23/381847623.db2.gz MQTNSNFUPGMISU-NXEZZACHSA-N -1 0 310.354 -0.039 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C(=O)[O-])cn1C ZINC000574158378 381854340 /nfs/dbraw/zinc/85/43/40/381854340.db2.gz NUBULUCMKRLGJK-VAOFZXAKSA-N -1 0 317.367 -0.020 20 0 DBADRM Cc1cc(C)n(CCCNC(=O)C(=O)NCCCC(=O)[O-])n1 ZINC000574277777 381857373 /nfs/dbraw/zinc/85/73/73/381857373.db2.gz NRWLKMZDGLUOEO-UHFFFAOYSA-N -1 0 310.354 -0.013 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000574291157 381859876 /nfs/dbraw/zinc/85/98/76/381859876.db2.gz SMMQNRKPXCYXTN-ZJUUUORDSA-N -1 0 306.384 -0.020 20 0 DBADRM CN1C(=O)C[C@H](NS(=O)(=O)CCOCC2CCCC2)C1=O ZINC000574297447 381860514 /nfs/dbraw/zinc/86/05/14/381860514.db2.gz XJQCIZRJEOGNQJ-NSHDSACASA-N -1 0 318.395 -0.130 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)[C@@H]1CO ZINC000574400118 381863346 /nfs/dbraw/zinc/86/33/46/381863346.db2.gz MZEHDJILCKPBHL-WRWGMCAJSA-N -1 0 312.366 -0.215 20 0 DBADRM CCOC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-] ZINC000574450945 381865574 /nfs/dbraw/zinc/86/55/74/381865574.db2.gz XVAYPOBVUGTGEU-SECBINFHSA-N -1 0 323.367 -0.261 20 0 DBADRM Cc1noc([C@H](C)NS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])n1 ZINC000575919940 381903341 /nfs/dbraw/zinc/90/33/41/381903341.db2.gz DYOKZIQYRSSXTR-POYBYMJQSA-N -1 0 304.328 -0.178 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CN1CCNCC1=O ZINC000575927208 381904996 /nfs/dbraw/zinc/90/49/96/381904996.db2.gz XNYNDXZUNNKMHR-SRVKXCTJSA-N -1 0 309.366 -0.338 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CN1CCNCC1=O ZINC000575927210 381905524 /nfs/dbraw/zinc/90/55/24/381905524.db2.gz XNYNDXZUNNKMHR-UTUOFQBUSA-N -1 0 309.366 -0.338 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]1 ZINC000576255446 381917911 /nfs/dbraw/zinc/91/79/11/381917911.db2.gz VAYDSZQGZUFZSB-YUMQZZPRSA-N -1 0 317.371 -0.652 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)N(CC(=O)[O-])C1CC1 ZINC000576253245 381918735 /nfs/dbraw/zinc/91/87/35/381918735.db2.gz BEYANABFSBIZHE-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1ncn(C)n1 ZINC000576346016 381921116 /nfs/dbraw/zinc/92/11/16/381921116.db2.gz DDSLYYSPSCTYOM-GUBZILKMSA-N -1 0 323.353 -0.439 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1ncn(C)n1 ZINC000576346028 381921187 /nfs/dbraw/zinc/92/11/87/381921187.db2.gz DDSLYYSPSCTYOM-UTLUCORTSA-N -1 0 323.353 -0.439 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000576577579 381928074 /nfs/dbraw/zinc/92/80/74/381928074.db2.gz XSJDDXDYQNAQDT-SECBINFHSA-N -1 0 313.339 -0.434 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000577497205 381963356 /nfs/dbraw/zinc/96/33/56/381963356.db2.gz VQASOTBNUPRPPG-AATLWQCWSA-N -1 0 305.352 -0.347 20 0 DBADRM O=C([O-])[C@H](O)[C@H]1CCCN(S(=O)(=O)CCOCC2CC2)C1 ZINC000577531365 381965068 /nfs/dbraw/zinc/96/50/68/381965068.db2.gz WBLNPNXTISVSBC-NWDGAFQWSA-N -1 0 321.395 -0.100 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000577572114 381965429 /nfs/dbraw/zinc/96/54/29/381965429.db2.gz YRXHLLBZKAGEHN-NHCYSSNCSA-N -1 0 307.368 -0.226 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 ZINC000577637799 381968369 /nfs/dbraw/zinc/96/83/69/381968369.db2.gz GIZBBMLAGKFEJI-SSDOTTSWSA-N -1 0 313.335 -0.088 20 0 DBADRM CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCCCC(=O)[O-] ZINC000577610540 381968478 /nfs/dbraw/zinc/96/84/78/381968478.db2.gz KZHVNPBBAXPNBI-UWVGGRQHSA-N -1 0 302.327 -0.722 20 0 DBADRM Cn1c(=O)c2cc(NC(=O)C3(C(=O)[O-])CC3)cnc2n(C)c1=O ZINC000576707046 381932442 /nfs/dbraw/zinc/93/24/42/381932442.db2.gz JPUVMBMLFHSALB-UHFFFAOYSA-N -1 0 318.289 -0.565 20 0 DBADRM C[C@H](NS(=O)(=O)CCCS(C)(=O)=O)[C@H](C)C(=O)[O-] ZINC000576751911 381933610 /nfs/dbraw/zinc/93/36/10/381933610.db2.gz RSKQPONWEHKMAA-YUMQZZPRSA-N -1 0 301.386 -0.550 20 0 DBADRM NS(=O)(=O)c1ccc(N[C@@H]2CC[S@](=O)C2)c(C(=O)[O-])c1 ZINC000576758393 381934395 /nfs/dbraw/zinc/93/43/95/381934395.db2.gz OYTGGDQXTYTXFI-XJZHNMMOSA-N -1 0 318.376 -0.035 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C(=O)[O-] ZINC000576823480 381937155 /nfs/dbraw/zinc/93/71/55/381937155.db2.gz KTSWGXHTIZUKPY-XFWSIPNHSA-N -1 0 323.367 -0.312 20 0 DBADRM C/C=C\C[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000577726868 381972360 /nfs/dbraw/zinc/97/23/60/381972360.db2.gz KZTWDWLDDRGUBW-TYRPZCRBSA-N -1 0 313.397 -0.240 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(c2ccc(C(=O)[O-])nn2)C1 ZINC000577066210 381945859 /nfs/dbraw/zinc/94/58/59/381945859.db2.gz MATLYSCCUZQNBH-SECBINFHSA-N -1 0 314.367 -0.060 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000577107375 381948507 /nfs/dbraw/zinc/94/85/07/381948507.db2.gz OULGKEUIVBVYJP-SNVBAGLBSA-N -1 0 305.381 -0.033 20 0 DBADRM Cc1nc(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@H]2C(=O)[O-])c[nH]1 ZINC000578132821 381997766 /nfs/dbraw/zinc/99/77/66/381997766.db2.gz ZCBRKKFRKLMOEL-PJKMHFRUSA-N -1 0 303.340 -0.031 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])C[C@H](C)O1 ZINC000578193424 382002743 /nfs/dbraw/zinc/00/27/43/382002743.db2.gz WPNHHDRSOVJJDT-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000578237345 382007034 /nfs/dbraw/zinc/00/70/34/382007034.db2.gz JHKBNBGAGDZGCB-MWLCHTKSSA-N -1 0 313.354 -0.850 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1nnnc1-c1ccsc1)C(=O)[O-] ZINC000578237238 382007047 /nfs/dbraw/zinc/00/70/47/382007047.db2.gz FTKAQIRDAWQQEV-LLVKDONJSA-N -1 0 311.323 -0.647 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)NC1CC1)[C@@H](O)Cc1ccccc1 ZINC000578305847 382008880 /nfs/dbraw/zinc/00/88/80/382008880.db2.gz BTZVZCUORLBWJZ-NWDGAFQWSA-N -1 0 314.363 -0.370 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCC(=O)NC2CC2)c1 ZINC000578322773 382010853 /nfs/dbraw/zinc/01/08/53/382010853.db2.gz KICSELJXUFSUST-UHFFFAOYSA-N -1 0 305.290 -0.282 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000577946694 381979406 /nfs/dbraw/zinc/97/94/06/381979406.db2.gz BBVZVJBWRUANOF-HFBDOXOYSA-N -1 0 323.349 -0.953 20 0 DBADRM COC[C@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000578080662 381991833 /nfs/dbraw/zinc/99/18/33/381991833.db2.gz QIHHCTRYWUXHKC-QMMMGPOBSA-N -1 0 308.356 -0.790 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1 ZINC000578984136 382045073 /nfs/dbraw/zinc/04/50/73/382045073.db2.gz CVNYZVKDVKPBHO-SECBINFHSA-N -1 0 303.340 -0.233 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000579474593 382068989 /nfs/dbraw/zinc/06/89/89/382068989.db2.gz FPQBUZNQOQTRFR-UTLUCORTSA-N -1 0 306.384 -0.165 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000579474591 382069245 /nfs/dbraw/zinc/06/92/45/382069245.db2.gz FPQBUZNQOQTRFR-KXUCPTDWSA-N -1 0 306.384 -0.165 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2nc[nH]n2)C[C@@H]1C(=O)[O-] ZINC000579239632 382055616 /nfs/dbraw/zinc/05/56/16/382055616.db2.gz HBIYJRJDBYYDLQ-BDAKNGLRSA-N -1 0 309.326 -0.668 20 0 DBADRM CC(C)(CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1)C(N)=O ZINC000579353480 382062095 /nfs/dbraw/zinc/06/20/95/382062095.db2.gz DBDXGGFOPMTRDE-UHFFFAOYSA-N -1 0 307.306 -0.049 20 0 DBADRM CO[C@@H](CS(=O)(=O)NCC(=O)NCC(F)F)C1CC1 ZINC000579348673 382062767 /nfs/dbraw/zinc/06/27/67/382062767.db2.gz YGHNWRLWFHTKLT-QMMMGPOBSA-N -1 0 300.327 -0.288 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000578632453 382025199 /nfs/dbraw/zinc/02/51/99/382025199.db2.gz XKYYQLLQMJKFDI-UHFFFAOYSA-N -1 0 320.754 -0.040 20 0 DBADRM C/C=C/C[C@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000578753463 382032632 /nfs/dbraw/zinc/03/26/32/382032632.db2.gz XELUKSFPMWCAQY-OKWQPMOJSA-N -1 0 319.383 -0.261 20 0 DBADRM COCCn1cc(S(=O)(=O)NC2(CC(=O)[O-])CC2)cn1 ZINC000578897858 382039775 /nfs/dbraw/zinc/03/97/75/382039775.db2.gz HECTTZKYNHUGOH-UHFFFAOYSA-N -1 0 303.340 -0.185 20 0 DBADRM C[C@H]1CCN(C(=O)NCCS(=O)(=O)N(C)C)C[C@H]1C(=O)[O-] ZINC000579948589 382102138 /nfs/dbraw/zinc/10/21/38/382102138.db2.gz NUAJYGWDFOPCSV-VHSXEESVSA-N -1 0 321.399 -0.370 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N[C@H]2CN(C)NC2=O)c1 ZINC000579944434 382102541 /nfs/dbraw/zinc/10/25/41/382102541.db2.gz SLRBQMIDBQYVBZ-MQJDWESPSA-N -1 0 311.363 -0.736 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](CO)C2)C[C@H]1C(=O)[O-] ZINC000579957235 382104035 /nfs/dbraw/zinc/10/40/35/382104035.db2.gz GFSZNMFUMJCNOH-GRYCIOLGSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000580713918 382109638 /nfs/dbraw/zinc/10/96/38/382109638.db2.gz OHTRODURMZWGEV-QMMMGPOBSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)C(=O)N(C)C ZINC000579711926 382087301 /nfs/dbraw/zinc/08/73/01/382087301.db2.gz HRYMRRACQSINKG-LPEHRKFASA-N -1 0 313.354 -0.852 20 0 DBADRM CC[C@H](NC(=O)NC1CCN(S(=O)(=O)CC)CC1)C(=O)[O-] ZINC000579758831 382091954 /nfs/dbraw/zinc/09/19/54/382091954.db2.gz WWFRDPCAHLEBOM-JTQLQIEISA-N -1 0 321.399 -0.037 20 0 DBADRM O=C([O-])[C@]1(NS(=O)(=O)c2cnc3n2CCC3)CCOC1 ZINC000579808801 382094119 /nfs/dbraw/zinc/09/41/19/382094119.db2.gz DSFJXAVFRQXIEU-NSHDSACASA-N -1 0 301.324 -0.649 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N[C@H]2CN(C)NC2=O)c1 ZINC000579944435 382101755 /nfs/dbraw/zinc/10/17/55/382101755.db2.gz SLRBQMIDBQYVBZ-WIUDPPPLSA-N -1 0 311.363 -0.736 20 0 DBADRM CCCc1nc(=NC(=O)C(=O)N2CCN(C)C(=O)C2)s[n-]1 ZINC000581829544 382176839 /nfs/dbraw/zinc/17/68/39/382176839.db2.gz YJFIKZHGZKIZDT-UHFFFAOYSA-N -1 0 311.367 -0.848 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1ccncn1)[C@@H](C)C(=O)[O-] ZINC000581250523 382138356 /nfs/dbraw/zinc/13/83/56/382138356.db2.gz IXSRAOWDMYUHIQ-JTQLQIEISA-N -1 0 308.338 -0.153 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000581440441 382148944 /nfs/dbraw/zinc/14/89/44/382148944.db2.gz HGDAQGJPXQNMPM-VHSXEESVSA-N -1 0 307.368 -0.098 20 0 DBADRM COC[C@](C)(O)C[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000382551323 382153095 /nfs/dbraw/zinc/15/30/95/382153095.db2.gz GAMLVAAICJBWPM-SNVBAGLBSA-N -1 0 324.380 -0.395 20 0 DBADRM CC(C)(C)CS(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000581491955 382153437 /nfs/dbraw/zinc/15/34/37/382153437.db2.gz ODOIJFGLIKCGPQ-SECBINFHSA-N -1 0 306.384 -0.115 20 0 DBADRM CCCc1nc(=NC(=O)C(=O)N2CCn3nncc3C2)s[n-]1 ZINC000581675167 382168480 /nfs/dbraw/zinc/16/84/80/382168480.db2.gz JURXAEIGYKIABJ-UHFFFAOYSA-N -1 0 321.366 -0.515 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](CCF)C2)C1 ZINC000627278506 382213902 /nfs/dbraw/zinc/21/39/02/382213902.db2.gz RWWCCNVUYIWBGZ-OUAUKWLOSA-N -1 0 316.329 -0.057 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000627279855 382215119 /nfs/dbraw/zinc/21/51/19/382215119.db2.gz VMOHDZDPCNRQNB-JTQLQIEISA-N -1 0 311.342 -0.613 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCCOCCF)CC[C@H]1C(=O)[O-] ZINC000627281153 382215323 /nfs/dbraw/zinc/21/53/23/382215323.db2.gz XEBVJCZYKVQSPJ-VHSXEESVSA-N -1 0 304.318 -0.342 20 0 DBADRM CCC[C@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)OCC ZINC000627282189 382215386 /nfs/dbraw/zinc/21/53/86/382215386.db2.gz VNMWCXCCBYQBMI-MNOVXSKESA-N -1 0 316.354 -0.380 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCO[C@@H](CCF)C2)CCC1 ZINC000627280363 382215528 /nfs/dbraw/zinc/21/55/28/382215528.db2.gz GANLCZAEYVVBBQ-JTQLQIEISA-N -1 0 316.329 -0.056 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000386515368 382192935 /nfs/dbraw/zinc/19/29/35/382192935.db2.gz WQSWJEZWFSCIRZ-AOOOYVTPSA-N -1 0 322.383 -0.748 20 0 DBADRM O=C(CN1CCCCCCC1=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000080973983 382284135 /nfs/dbraw/zinc/28/41/35/382284135.db2.gz UEVSQOXDYGZAFO-UHFFFAOYSA-N -1 0 309.370 -0.061 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000627283665 382245914 /nfs/dbraw/zinc/24/59/14/382245914.db2.gz HSTPEVDTACUBQR-QUARPLMYSA-N -1 0 314.338 -0.774 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000627283477 382246071 /nfs/dbraw/zinc/24/60/71/382246071.db2.gz DEADLUIXXLHEEZ-RYUDHWBXSA-N -1 0 310.350 -0.007 20 0 DBADRM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000615814996 382257401 /nfs/dbraw/zinc/25/74/01/382257401.db2.gz CWCQDBSNPMCEPY-OOZYFLPDSA-N -1 0 308.294 -0.304 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000627286775 382259633 /nfs/dbraw/zinc/25/96/33/382259633.db2.gz YLVLTIQKOAEUOU-GXSJLCMTSA-N -1 0 323.349 -0.811 20 0 DBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000067890842 382303648 /nfs/dbraw/zinc/30/36/48/382303648.db2.gz UMCZPESMNLYONE-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM COc1cc(C)c(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1OC ZINC000090262829 382335781 /nfs/dbraw/zinc/33/57/81/382335781.db2.gz LLDHKKUPGFYSMG-MRVPVSSYSA-N -1 0 319.335 -0.264 20 0 DBADRM CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(=O)NC ZINC000616144510 382337307 /nfs/dbraw/zinc/33/73/07/382337307.db2.gz GFSKHJFPBYBEAN-SECBINFHSA-N -1 0 315.351 -0.706 20 0 DBADRM CS(=O)(=O)C1CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000616137489 382338084 /nfs/dbraw/zinc/33/80/84/382338084.db2.gz RVYSFRZFOKHMBW-UHFFFAOYSA-N -1 0 323.330 -0.101 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000616145762 382338349 /nfs/dbraw/zinc/33/83/49/382338349.db2.gz MCTGWFXJTQABFN-BDAKNGLRSA-N -1 0 314.363 -0.118 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCC(O)(CO)CC1 ZINC000618238847 382353349 /nfs/dbraw/zinc/35/33/49/382353349.db2.gz JUOLNDGZXAJLMP-UHFFFAOYSA-N -1 0 319.317 -0.011 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC000619224207 382383560 /nfs/dbraw/zinc/38/35/60/382383560.db2.gz UYHLSKNJISCBAV-YIZRAAEISA-N -1 0 315.351 -0.692 20 0 DBADRM CC(C)[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000400185258 382389574 /nfs/dbraw/zinc/38/95/74/382389574.db2.gz JDBHMVBBODYNSO-SNVBAGLBSA-N -1 0 321.399 -0.181 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)N2CCC[C@@H]2C(=O)[O-])C1 ZINC000400178329 382390470 /nfs/dbraw/zinc/39/04/70/382390470.db2.gz FVKWUNHJTFJQOZ-DTWKUNHWSA-N -1 0 305.356 -0.721 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000400236440 382391181 /nfs/dbraw/zinc/39/11/81/382391181.db2.gz DYMIYCIRVZJQCT-SNVBAGLBSA-N -1 0 319.383 -0.474 20 0 DBADRM CS(=O)(=O)N1CC[C@H](NC(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000400236315 382392261 /nfs/dbraw/zinc/39/22/61/382392261.db2.gz VADODTHYOZINSE-ZETCQYMHSA-N -1 0 302.308 -0.259 20 0 DBADRM NC(=O)c1ccc(CN2CCOC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000387993197 382402986 /nfs/dbraw/zinc/40/29/86/382402986.db2.gz WKWVPSKJPGPEPU-NSHDSACASA-N -1 0 309.278 -0.021 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)c1=O ZINC000621604768 382492687 /nfs/dbraw/zinc/49/26/87/382492687.db2.gz NZTXOQXWRROIMN-ZETCQYMHSA-N -1 0 313.335 -0.624 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1ncc(C(=O)[O-])s1 ZINC000621611675 382492890 /nfs/dbraw/zinc/49/28/90/382492890.db2.gz JBCVTQBOGJUVMR-NTSWFWBYSA-N -1 0 319.364 -0.290 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000621617120 382492990 /nfs/dbraw/zinc/49/29/90/382492990.db2.gz LZGZVCWBYYCEMF-GWCFXTLKSA-N -1 0 318.395 -0.019 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)c2cc(F)c[nH]c2=O)CC1 ZINC000621283619 382474977 /nfs/dbraw/zinc/47/49/77/382474977.db2.gz QAFCKEFYYVDNTM-UHFFFAOYSA-N -1 0 310.329 -0.228 20 0 DBADRM CS(=O)(=O)C1(C(=O)NCCCc2n[nH]c(=O)[n-]2)CCCC1 ZINC000621894470 382522500 /nfs/dbraw/zinc/52/25/00/382522500.db2.gz QRAWOJBWRLRCID-UHFFFAOYSA-N -1 0 316.383 -0.084 20 0 DBADRM C[C@@H]1CN(C(=O)N2CCS(=O)(=O)CC2)CC[C@H]1C(=O)[O-] ZINC000312754737 382509885 /nfs/dbraw/zinc/50/98/85/382509885.db2.gz ZRDDETLGTWZMSA-NXEZZACHSA-N -1 0 304.368 -0.121 20 0 DBADRM NS(=O)(=O)c1cccc(CNC(=O)N2CC(C(=O)[O-])C2)c1 ZINC000621829240 382511256 /nfs/dbraw/zinc/51/12/56/382511256.db2.gz NIGZMEPWBAHIIY-UHFFFAOYSA-N -1 0 313.335 -0.440 20 0 DBADRM NS(=O)(=O)c1ccccc1CNC(=O)N1CC(C(=O)[O-])C1 ZINC000621835104 382512116 /nfs/dbraw/zinc/51/21/16/382512116.db2.gz KICTYHNGGZSERP-UHFFFAOYSA-N -1 0 313.335 -0.440 20 0 DBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC(C(=O)[O-])C1 ZINC000621833368 382512617 /nfs/dbraw/zinc/51/26/17/382512617.db2.gz JULGIVSPGKARCQ-WDEREUQCSA-N -1 0 302.327 -0.467 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CC(C(=O)[O-])C1 ZINC000621834491 382512815 /nfs/dbraw/zinc/51/28/15/382512815.db2.gz KNGOWSWVPWIGHL-WPRPVWTQSA-N -1 0 319.383 -0.570 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@@H](CO)C2)C[C@H]1C(=O)[O-] ZINC000622046133 382540673 /nfs/dbraw/zinc/54/06/73/382540673.db2.gz KGLKENBVHFRJRF-IRCOFANPSA-N -1 0 312.366 -0.358 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCC(=O)NC2CC2)c1 ZINC000622503387 382569287 /nfs/dbraw/zinc/56/92/87/382569287.db2.gz WIPONPFFJUCIGE-UHFFFAOYSA-N -1 0 313.335 -0.952 20 0 DBADRM COC(=O)C[C@H](NS(=O)(=O)c1cccc(OC)c1)C(=O)[O-] ZINC000124115333 382585218 /nfs/dbraw/zinc/58/52/18/382585218.db2.gz GRRQQGKBLPBYCD-JTQLQIEISA-N -1 0 317.319 -0.010 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CCO1 ZINC000133366571 382642861 /nfs/dbraw/zinc/64/28/61/382642861.db2.gz DMKWGWAQFNWQPM-NXEZZACHSA-N -1 0 302.327 -0.073 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCCC[C@H]1CN1CCOCC1 ZINC000631221416 382646602 /nfs/dbraw/zinc/64/66/02/382646602.db2.gz GIAIUMJSCGPJSE-LBPRGKRZSA-N -1 0 308.386 -0.154 20 0 DBADRM CC(C)(C)OCCS(=O)(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000632187760 382663375 /nfs/dbraw/zinc/66/33/75/382663375.db2.gz GCNLDEDMEOVTRM-VIFPVBQESA-N -1 0 319.383 -0.633 20 0 DBADRM CO[C@@H]1CCC[C@H]1S(=O)(=O)NCC(=O)N1CCOCC1 ZINC000632185221 382663431 /nfs/dbraw/zinc/66/34/31/382663431.db2.gz XYSCIMMBQJQTLL-GHMZBOCLSA-N -1 0 306.384 -0.668 20 0 DBADRM CC(C)(C)OCCS(=O)(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000632187758 382663475 /nfs/dbraw/zinc/66/34/75/382663475.db2.gz GCNLDEDMEOVTRM-SECBINFHSA-N -1 0 319.383 -0.633 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCCC23CC3)c(=O)n(C)c1=O ZINC000632614614 382675282 /nfs/dbraw/zinc/67/52/82/382675282.db2.gz NOWYCTZSLOKLEK-SNVBAGLBSA-N -1 0 313.379 -0.305 20 0 DBADRM CCOCCN(C)C(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000633065621 382680663 /nfs/dbraw/zinc/68/06/63/382680663.db2.gz NRRBCDKRXNOFHA-CQSZACIVSA-N -1 0 316.354 -0.569 20 0 DBADRM C[C@H]1[C@@H](CO)CCCN1C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000633070740 382680892 /nfs/dbraw/zinc/68/08/92/382680892.db2.gz QKZYVWFXTRLWDM-SDDRHHMPSA-N -1 0 312.366 -0.071 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](F)C2)C1 ZINC000633073608 382680948 /nfs/dbraw/zinc/68/09/48/382680948.db2.gz WOPBHMKGAHGOQA-NOZJJQNGSA-N -1 0 302.302 -0.494 20 0 DBADRM C[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)C2 ZINC000633069946 382681013 /nfs/dbraw/zinc/68/10/13/382681013.db2.gz SHOOPXKPOJACRJ-RWSFTLGLSA-N -1 0 310.350 -0.196 20 0 DBADRM CO[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C[C@H]1O ZINC000627658741 382639371 /nfs/dbraw/zinc/63/93/71/382639371.db2.gz MCWDOBWQRTXXLW-NXEZZACHSA-N -1 0 315.351 -0.715 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2cc(C)no2)CCOC1 ZINC000447164921 533150388 /nfs/dbraw/zinc/15/03/88/533150388.db2.gz FTOCSJUPOGKPBF-LLVKDONJSA-N -1 0 304.324 -0.265 20 0 DBADRM COC(=O)C[C@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)C(=O)OC ZINC000354598853 220571656 /nfs/dbraw/zinc/57/16/56/220571656.db2.gz CJAHRCKODNIGQQ-IUCAKERBSA-N -1 0 309.340 -0.811 20 0 DBADRM NC(=O)Cn1cc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)cn1 ZINC000355420815 220613377 /nfs/dbraw/zinc/61/33/77/220613377.db2.gz NXANLRYTUIORFG-UHFFFAOYSA-N -1 0 324.366 -0.298 20 0 DBADRM COC(=O)[C@H](C)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000355405788 220614673 /nfs/dbraw/zinc/61/46/73/220614673.db2.gz ZTGSSEPMGPAWQF-SSDOTTSWSA-N -1 0 304.324 -0.189 20 0 DBADRM CN1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1=O ZINC000355451031 220616350 /nfs/dbraw/zinc/61/63/50/220616350.db2.gz BXGIDRUWKMMVLM-UHFFFAOYSA-N -1 0 302.283 -0.056 20 0 DBADRM O=C([O-])C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000368411734 220887615 /nfs/dbraw/zinc/88/76/15/220887615.db2.gz NUSJCJMDJSAXHW-JTQLQIEISA-N -1 0 304.368 -0.076 20 0 DBADRM CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)[O-])CC2)CC1 ZINC000368402316 220887988 /nfs/dbraw/zinc/88/79/88/220887988.db2.gz KGJRFYZCKKMMGT-UHFFFAOYSA-N -1 0 311.382 -0.136 20 0 DBADRM C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(N)=O ZINC000436696745 533279270 /nfs/dbraw/zinc/27/92/70/533279270.db2.gz JBSWBZRWADBPQG-SSDOTTSWSA-N -1 0 315.351 -0.754 20 0 DBADRM Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)[N-]OCC(N)=O ZINC000272225552 130008605 /nfs/dbraw/zinc/00/86/05/130008605.db2.gz LDNXJUZKJSDMPY-LLVKDONJSA-N -1 0 322.300 -0.562 20 0 DBADRM COc1ccsc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC000272858641 130069998 /nfs/dbraw/zinc/06/99/98/130069998.db2.gz LSQRHKSKCPMLQV-UHFFFAOYSA-N -1 0 305.337 -0.156 20 0 DBADRM C[C@H](CN(C)C(=O)CSc1nnnn1C1CC1)c1nnn[n-]1 ZINC000273582290 130139741 /nfs/dbraw/zinc/13/97/41/130139741.db2.gz PDORAUBCTYHKHK-SSDOTTSWSA-N -1 0 323.386 -0.125 20 0 DBADRM C[C@H](Cn1cncn1)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000273620924 130144978 /nfs/dbraw/zinc/14/49/78/130144978.db2.gz AQZDZBJYBZHTKQ-MRVPVSSYSA-N -1 0 313.339 -0.318 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC000274872908 130268513 /nfs/dbraw/zinc/26/85/13/130268513.db2.gz AXWQMIXRFCTUAQ-ZCFIWIBFSA-N -1 0 309.731 -0.569 20 0 DBADRM CCOC(=O)[C@H]1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC000274878508 130270468 /nfs/dbraw/zinc/27/04/68/130270468.db2.gz HPERXEMMCSUFOR-QMMMGPOBSA-N -1 0 314.367 -0.008 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000274883302 130270548 /nfs/dbraw/zinc/27/05/48/130270548.db2.gz DHBNCKYXRIUXQV-LDWIPMOCSA-N -1 0 303.292 -0.472 20 0 DBADRM COc1cccc(OC)c1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000274901439 130271535 /nfs/dbraw/zinc/27/15/35/130271535.db2.gz IDONYUVLFVUTAW-ZETCQYMHSA-N -1 0 305.308 -0.572 20 0 DBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000274903521 130272010 /nfs/dbraw/zinc/27/20/10/130272010.db2.gz IPBAVBLMLKZKIA-MRVPVSSYSA-N -1 0 303.292 -0.471 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])s1 ZINC000274905363 130272027 /nfs/dbraw/zinc/27/20/27/130272027.db2.gz JEMPLTOYLTVPHC-LURJTMIESA-N -1 0 323.348 -0.351 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cs1 ZINC000274899458 130272295 /nfs/dbraw/zinc/27/22/95/130272295.db2.gz HSMJFIJQYJFQJQ-ZETCQYMHSA-N -1 0 323.348 -0.351 20 0 DBADRM CCC(=O)Nc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000274907455 130272694 /nfs/dbraw/zinc/27/26/94/130272694.db2.gz JQXNOGLKDNGQDG-SNVBAGLBSA-N -1 0 316.335 -0.241 20 0 DBADRM C[C@@H](CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000274914682 130272780 /nfs/dbraw/zinc/27/27/80/130272780.db2.gz LKNLHAILTIIVDU-QMMMGPOBSA-N -1 0 312.347 -0.029 20 0 DBADRM Cc1c(F)cccc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000274913831 130273182 /nfs/dbraw/zinc/27/31/82/130273182.db2.gz LGZQYOCNPVABEB-QMMMGPOBSA-N -1 0 304.299 -0.259 20 0 DBADRM COc1cc(OC)cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000274925955 130275060 /nfs/dbraw/zinc/27/50/60/130275060.db2.gz NUHNRKBOQUDWLJ-HQJQHLMTSA-N -1 0 319.335 -0.184 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000274927010 130275533 /nfs/dbraw/zinc/27/55/33/130275533.db2.gz ZDZGMPJOAFOODM-ONGXEEELSA-N -1 0 306.347 -0.035 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cn1 ZINC000274986959 130280006 /nfs/dbraw/zinc/28/00/06/130280006.db2.gz DTHIWBBBDALLPF-SNVBAGLBSA-N -1 0 303.340 -0.062 20 0 DBADRM COc1cc(OC)cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000274995496 130280857 /nfs/dbraw/zinc/28/08/57/130280857.db2.gz ZVKUCZRLZSLZAD-SNVBAGLBSA-N -1 0 305.308 -0.572 20 0 DBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)c1cccc2c1OCCO2 ZINC000274982680 130281113 /nfs/dbraw/zinc/28/11/13/130281113.db2.gz XXUWBDFGYRBVNZ-QMMMGPOBSA-N -1 0 317.319 -0.428 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)Cc1ccc(Cl)nc1)C(=O)[O-] ZINC000274991174 130281595 /nfs/dbraw/zinc/28/15/95/130281595.db2.gz ZECUHBOZDMQFQE-ZETCQYMHSA-N -1 0 321.742 -0.517 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2cccnc2)C1 ZINC000275030296 130285342 /nfs/dbraw/zinc/28/53/42/130285342.db2.gz UAPGMBAEYLPEFV-VIFPVBQESA-N -1 0 313.335 -0.707 20 0 DBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1cccc2c1OCCO2 ZINC000275040252 130286423 /nfs/dbraw/zinc/28/64/23/130286423.db2.gz GUFQJWJVIWMGFK-QMMMGPOBSA-N -1 0 317.319 -0.428 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-] ZINC000275042141 130286538 /nfs/dbraw/zinc/28/65/38/130286538.db2.gz GZXNAHJZVIZKAC-LURJTMIESA-N -1 0 311.747 -0.159 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-] ZINC000275055093 130287748 /nfs/dbraw/zinc/28/77/48/130287748.db2.gz IYHUEFMGSPOQPC-MRVPVSSYSA-N -1 0 315.307 -0.009 20 0 DBADRM Cc1cc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c(C)o1 ZINC000275050406 130288450 /nfs/dbraw/zinc/28/84/50/130288450.db2.gz IAVLTSMYVFTIID-MRVPVSSYSA-N -1 0 304.324 -0.107 20 0 DBADRM COCCc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC000275113043 130291345 /nfs/dbraw/zinc/29/13/45/130291345.db2.gz SDXSZDAUVWCORM-SKDRFNHKSA-N -1 0 317.363 -0.012 20 0 DBADRM O=C([O-])C1CN(S(=O)(=O)c2cnn(C3CCOCC3)c2)C1 ZINC000275139823 130293061 /nfs/dbraw/zinc/29/30/61/130293061.db2.gz PGLJOCFDJIMIIU-UHFFFAOYSA-N -1 0 315.351 -0.060 20 0 DBADRM CC[C@@H](CO)N1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000275172977 130295393 /nfs/dbraw/zinc/29/53/93/130295393.db2.gz WQWWOPCLAUSTIM-VIFPVBQESA-N -1 0 315.399 -0.895 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000275185245 130297574 /nfs/dbraw/zinc/29/75/74/130297574.db2.gz DVBUTHUWDPYYJQ-LURJTMIESA-N -1 0 314.241 -0.176 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(CCO)CC(=O)[O-])c(C)o1 ZINC000275245650 130299852 /nfs/dbraw/zinc/29/98/52/130299852.db2.gz HECQFOWHLLOUCJ-UHFFFAOYSA-N -1 0 321.307 -0.558 20 0 DBADRM COC[C@H](C)S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275264891 130300388 /nfs/dbraw/zinc/30/03/88/130300388.db2.gz MPZBONPBAFZNTM-WPRPVWTQSA-N -1 0 305.356 -0.630 20 0 DBADRM CCCCN(C)S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275288700 130303012 /nfs/dbraw/zinc/30/30/12/130303012.db2.gz PDPPVOQPDYUAJN-NSHDSACASA-N -1 0 318.399 -0.018 20 0 DBADRM CCC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000275341528 130305785 /nfs/dbraw/zinc/30/57/85/130305785.db2.gz VGWSPRORDAXTDK-JTQLQIEISA-N -1 0 316.335 -0.241 20 0 DBADRM Cn1cc(C[C@H](NS(=O)(=O)c2ccnn2C)C(=O)[O-])cn1 ZINC000275361223 130307985 /nfs/dbraw/zinc/30/79/85/130307985.db2.gz XLJUYZWLQLRMOK-VIFPVBQESA-N -1 0 313.339 -0.872 20 0 DBADRM COC[C@@](C)(NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000328471843 391928299 /nfs/dbraw/zinc/92/82/99/391928299.db2.gz HCQFYTCKGWSZEH-JOYOIKCWSA-N -1 0 322.383 -0.736 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)N[C@H](CC2CC2)C(=O)[O-])C1 ZINC000400215984 391988077 /nfs/dbraw/zinc/98/80/77/391988077.db2.gz WVYGXAWABZZOAN-NXEZZACHSA-N -1 0 319.383 -0.427 20 0 DBADRM Cc1nc(=NC(=O)C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)[n-]n1C ZINC000646830955 391946380 /nfs/dbraw/zinc/94/63/80/391946380.db2.gz GHUUXEVMIYTREX-AOOOYVTPSA-N -1 0 309.370 -0.054 20 0 DBADRM C[C@@]1(C2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)NC(=O)NC1=O ZINC000649453691 392073098 /nfs/dbraw/zinc/07/30/98/392073098.db2.gz ATMWGUSRQYHHLQ-NUPCCRGMSA-N -1 0 309.322 -0.456 20 0 DBADRM COc1cc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])ccc1OCC(N)=O ZINC000649454666 392073182 /nfs/dbraw/zinc/07/31/82/392073182.db2.gz DVVDCNMZLSKIIN-NXEZZACHSA-N -1 0 322.317 -0.104 20 0 DBADRM CC(C)OCCOC[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000649456965 392073336 /nfs/dbraw/zinc/07/33/36/392073336.db2.gz WNPXZORQHJNCCM-QJPTWQEYSA-N -1 0 303.355 -0.032 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000649453138 392073613 /nfs/dbraw/zinc/07/36/13/392073613.db2.gz DFCILTLRIPVOCB-KYXWUPHJSA-N -1 0 304.368 -0.459 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000649455031 392073748 /nfs/dbraw/zinc/07/37/48/392073748.db2.gz UYBQPNZIBOIYAI-VIFPVBQESA-N -1 0 306.384 -0.115 20 0 DBADRM O=C([O-])C(=O)N1CCN(CCC(=O)Nc2cccnc2)CC1 ZINC000649452004 392074197 /nfs/dbraw/zinc/07/41/97/392074197.db2.gz UQOMYNRSNHQZNH-UHFFFAOYSA-N -1 0 306.322 -0.361 20 0 DBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000649462122 392075677 /nfs/dbraw/zinc/07/56/77/392075677.db2.gz DXCULRDEMBVJKI-JHJVBQTASA-N -1 0 323.393 -0.138 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)COc1ccccc1F ZINC000277828929 130643633 /nfs/dbraw/zinc/64/36/33/130643633.db2.gz ZGIFQQQCGSGRBG-UHFFFAOYSA-N -1 0 318.326 -0.213 20 0 DBADRM NC(=O)[C@H](CO)NC(=O)c1cccc(Br)c1[O-] ZINC000553310005 392083053 /nfs/dbraw/zinc/08/30/53/392083053.db2.gz RURRFIYGGGJHPK-ZETCQYMHSA-N -1 0 303.112 -0.269 20 0 DBADRM CN(CCCNC(=O)N[C@H](CCF)C(=O)[O-])S(C)(=O)=O ZINC000649523119 392087620 /nfs/dbraw/zinc/08/76/20/392087620.db2.gz FRPADQHLHKNPRL-MRVPVSSYSA-N -1 0 313.351 -0.620 20 0 DBADRM Cn1ccnc1-c1cc(=NC(=O)[C@H]2CCN(C)S2(=O)=O)[nH][n-]1 ZINC000649214697 392019481 /nfs/dbraw/zinc/01/94/81/392019481.db2.gz RVSMJYSAEHJUCB-SECBINFHSA-N -1 0 324.366 -0.796 20 0 DBADRM CN1CC[C@@H](C(=O)N2CCC(CC(=O)[O-])CC2)S1(=O)=O ZINC000649240200 392022877 /nfs/dbraw/zinc/02/28/77/392022877.db2.gz RCTAUQHYJZXLLB-JTQLQIEISA-N -1 0 304.368 -0.266 20 0 DBADRM CN1CC[C@H](C(=O)Nc2nc(CC(=O)[O-])cs2)S1(=O)=O ZINC000649240020 392023167 /nfs/dbraw/zinc/02/31/67/392023167.db2.gz WXBWKBSROQRNLS-SSDOTTSWSA-N -1 0 319.364 -0.257 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000649249219 392023284 /nfs/dbraw/zinc/02/32/84/392023284.db2.gz XZCLROQOIVENFH-SNVBAGLBSA-N -1 0 308.338 -0.063 20 0 DBADRM COC[C@@H](NC(=O)Cn1nnnc1-c1ccsc1)C(=O)[O-] ZINC000649249841 392023336 /nfs/dbraw/zinc/02/33/36/392023336.db2.gz RKESKYKPVCOAHV-MRVPVSSYSA-N -1 0 311.323 -0.383 20 0 DBADRM COC[C@H](NC(=O)Cn1nnnc1-c1ccsc1)C(=O)[O-] ZINC000649249842 392023448 /nfs/dbraw/zinc/02/34/48/392023448.db2.gz RKESKYKPVCOAHV-QMMMGPOBSA-N -1 0 311.323 -0.383 20 0 DBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)Cc1ccc(F)cc1 ZINC000278374342 130687002 /nfs/dbraw/zinc/68/70/02/130687002.db2.gz ZYNSNRPKDRJKRE-UHFFFAOYSA-N -1 0 318.326 -0.164 20 0 DBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000552001297 392059387 /nfs/dbraw/zinc/05/93/87/392059387.db2.gz URWURINHAOKHTH-VIFPVBQESA-N -1 0 313.397 -0.406 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000380194476 392061096 /nfs/dbraw/zinc/06/10/96/392061096.db2.gz XYRDPBMYDRPNLO-QMMMGPOBSA-N -1 0 320.289 -0.363 20 0 DBADRM C[C@H]1CN(c2cncc(C(=O)[O-])n2)CCN1S(C)(=O)=O ZINC000649397641 392062832 /nfs/dbraw/zinc/06/28/32/392062832.db2.gz YVRXYTRMKXOZKS-QMMMGPOBSA-N -1 0 300.340 -0.355 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNc2cncc(C(=O)[O-])n2)C1 ZINC000649397103 392062902 /nfs/dbraw/zinc/06/29/02/392062902.db2.gz FXWFTTKPAVEYPJ-MRVPVSSYSA-N -1 0 300.340 -0.132 20 0 DBADRM COc1nc(N2CC[C@H](NS(C)(=O)=O)C2)ccc1C(=O)[O-] ZINC000649390995 392062949 /nfs/dbraw/zinc/06/29/49/392062949.db2.gz HRJYHEBUETXMCC-QMMMGPOBSA-N -1 0 315.351 -0.084 20 0 DBADRM C[C@](O)(CNc1cc(N2CCC[C@H](CO)C2)ncn1)C(=O)[O-] ZINC000649402850 392064724 /nfs/dbraw/zinc/06/47/24/392064724.db2.gz WFDZBPIXTQRTPB-HZMBPMFUSA-N -1 0 310.354 -0.067 20 0 DBADRM C[C@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CC[C@@H]1C(=O)[O-] ZINC000649405243 392064919 /nfs/dbraw/zinc/06/49/19/392064919.db2.gz LIFPYGYFFZNMDI-YUMQZZPRSA-N -1 0 321.337 -0.080 20 0 DBADRM C[C@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CC[C@H]1C(=O)[O-] ZINC000649405241 392065977 /nfs/dbraw/zinc/06/59/77/392065977.db2.gz LIFPYGYFFZNMDI-JGVFFNPUSA-N -1 0 321.337 -0.080 20 0 DBADRM COCC(COC)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000384180862 392119151 /nfs/dbraw/zinc/11/91/51/392119151.db2.gz QAJSLUIEIQZJDT-UHFFFAOYSA-N -1 0 304.343 -0.172 20 0 DBADRM Cc1cccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1F ZINC000272883380 392123210 /nfs/dbraw/zinc/12/32/10/392123210.db2.gz HXMNRSUVQJXVIH-UHFFFAOYSA-N -1 0 304.299 -0.387 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)[N-]OC[C@@H]2CCOC2)c(=O)c1 ZINC000280354690 130798007 /nfs/dbraw/zinc/79/80/07/130798007.db2.gz CAPAWIOGDVSTSV-DOMZBBRYSA-N -1 0 310.350 -0.008 20 0 DBADRM Cn1cc(/C=C/C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000280817212 130820200 /nfs/dbraw/zinc/82/02/00/130820200.db2.gz MUOZKTUKPUENKJ-AQXIBQBTSA-N -1 0 321.333 -0.533 20 0 DBADRM COC(=O)C[C@H](N)C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000583932792 392352561 /nfs/dbraw/zinc/35/25/61/392352561.db2.gz KNDXGCSBEZBJDQ-QMMMGPOBSA-N -1 0 307.335 -0.149 20 0 DBADRM CC(C)NC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000035207924 392356083 /nfs/dbraw/zinc/35/60/83/392356083.db2.gz GCNYJHWDXMOQGO-UHFFFAOYSA-N -1 0 303.340 -0.474 20 0 DBADRM CCNC(=O)CNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000035238366 392357833 /nfs/dbraw/zinc/35/78/33/392357833.db2.gz WXVQGWLAEBPWHL-UHFFFAOYSA-N -1 0 316.335 -0.436 20 0 DBADRM COCCn1cc(S(=O)(=O)[N-]c2nc(N(C)C)n[nH]2)cn1 ZINC000285100785 131138513 /nfs/dbraw/zinc/13/85/13/131138513.db2.gz NKCBAOOLTRWLNO-UHFFFAOYSA-N -1 0 315.359 -0.486 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2ccsc2)C1 ZINC000285299679 131156031 /nfs/dbraw/zinc/15/60/31/131156031.db2.gz YCDKUWMPBLFROV-MRVPVSSYSA-N -1 0 318.376 -0.041 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000036906857 392368932 /nfs/dbraw/zinc/36/89/32/392368932.db2.gz HHWPTBNVNPKHPX-MRVPVSSYSA-N -1 0 303.292 -0.818 20 0 DBADRM CN(CC(N)=O)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000037268752 392371916 /nfs/dbraw/zinc/37/19/16/392371916.db2.gz JNCWXEFHELCOKA-UHFFFAOYSA-N -1 0 300.336 -0.190 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cc1F ZINC000037417761 392373388 /nfs/dbraw/zinc/37/33/88/392373388.db2.gz HOQLUDVMEZOFCT-QUBYGPBYSA-N -1 0 307.299 -0.053 20 0 DBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000037374713 392373503 /nfs/dbraw/zinc/37/35/03/392373503.db2.gz LZVMRYQRGOQDIU-MRVPVSSYSA-N -1 0 322.289 -0.038 20 0 DBADRM Cc1cc(F)ccc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000037375360 392373519 /nfs/dbraw/zinc/37/35/19/392373519.db2.gz QOWYUULJSYFKHC-MRVPVSSYSA-N -1 0 304.299 -0.259 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)c1 ZINC000037417469 392373644 /nfs/dbraw/zinc/37/36/44/392373644.db2.gz VXPZYSWRMYTPQA-XVKPBYJWSA-N -1 0 317.319 -0.415 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NCCNC(=O)C(C)(C)C ZINC000286003237 131215061 /nfs/dbraw/zinc/21/50/61/131215061.db2.gz PMVYGKUKAVRXLB-UHFFFAOYSA-N -1 0 305.400 -0.324 20 0 DBADRM COC(=O)c1cccc(CS(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000037465362 392375195 /nfs/dbraw/zinc/37/51/95/392375195.db2.gz XJTTVZZOWNLLNO-JTQLQIEISA-N -1 0 317.319 -0.662 20 0 DBADRM Cc1nc(Cl)ccc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000287124832 131264976 /nfs/dbraw/zinc/26/49/76/131264976.db2.gz GISKKUYAVVWILY-ZCFIWIBFSA-N -1 0 321.742 -0.350 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000287248738 131271497 /nfs/dbraw/zinc/27/14/97/131271497.db2.gz PHHYFKNXKBKISO-YFKPBYRVSA-N -1 0 314.241 -0.176 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 ZINC000021812926 392380009 /nfs/dbraw/zinc/38/00/09/392380009.db2.gz PQJJHNLUCVBEPZ-GFCCVEGCSA-N -1 0 314.363 -0.151 20 0 DBADRM CCC[C@H]1C(=O)NCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC000646950192 392389613 /nfs/dbraw/zinc/38/96/13/392389613.db2.gz HSMHBGIAINQESB-JTQLQIEISA-N -1 0 303.322 -0.237 20 0 DBADRM CC(C)CN1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1=O ZINC000646961557 392390892 /nfs/dbraw/zinc/39/08/92/392390892.db2.gz RZPYSOHOWHVFAU-UHFFFAOYSA-N -1 0 317.349 -0.037 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2c(C)cnn2C)C1=O ZINC000289199164 131365677 /nfs/dbraw/zinc/36/56/77/131365677.db2.gz OSHPEDVQXGSDPN-NSHDSACASA-N -1 0 315.355 -0.358 20 0 DBADRM CCC[C@H](O)[C@@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000556417217 392421865 /nfs/dbraw/zinc/42/18/65/392421865.db2.gz VXDUVXPLSABYFZ-LPEHRKFASA-N -1 0 322.383 -0.571 20 0 DBADRM CO[C@H](CS(=O)(=O)[N-]c1cn(C)nc1C(N)=O)C(C)C ZINC000647134591 392438460 /nfs/dbraw/zinc/43/84/60/392438460.db2.gz SDFWSXPTYTXAIV-SECBINFHSA-N -1 0 304.372 -0.068 20 0 DBADRM CCS(=O)(=O)CC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000558001749 392442112 /nfs/dbraw/zinc/44/21/12/392442112.db2.gz JWVZLGRHMKTREJ-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1ccn(CC(=O)OC)n1 ZINC000290606919 131503372 /nfs/dbraw/zinc/50/33/72/131503372.db2.gz ZVZNWKNYOJULCM-UHFFFAOYSA-N -1 0 305.312 -0.639 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N(CCOC)CC(=O)[O-])co1 ZINC000647204515 392480869 /nfs/dbraw/zinc/48/08/69/392480869.db2.gz RAOPWBDDQCDADC-UHFFFAOYSA-N -1 0 320.323 -0.639 20 0 DBADRM C[C@@H](CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000647204106 392481309 /nfs/dbraw/zinc/48/13/09/392481309.db2.gz QEDCFXYCDWOPMI-QMMMGPOBSA-N -1 0 317.367 -0.132 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000647204296 392481614 /nfs/dbraw/zinc/48/16/14/392481614.db2.gz FBJDMMNHFATELR-UHFFFAOYSA-N -1 0 306.274 -0.257 20 0 DBADRM Cc1cn2c(ncc(C(=O)N3CCO[C@H](C(=O)[O-])C3)c2=O)s1 ZINC000647219390 392483917 /nfs/dbraw/zinc/48/39/17/392483917.db2.gz AAXAVWBECFAPLN-VIFPVBQESA-N -1 0 323.330 -0.010 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000647217521 392484290 /nfs/dbraw/zinc/48/42/90/392484290.db2.gz UUUOTMLWXQQMEH-VIFPVBQESA-N -1 0 308.356 -0.982 20 0 DBADRM CC(C)(C(=O)N1CCO[C@@H](C(=O)[O-])C1)S(=O)(=O)C1CC1 ZINC000647219426 392484575 /nfs/dbraw/zinc/48/45/75/392484575.db2.gz BQJMPFMFLQWOPE-SECBINFHSA-N -1 0 305.352 -0.346 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2cncc(-n3ccnn3)c2)CCO1 ZINC000647219637 392484730 /nfs/dbraw/zinc/48/47/30/392484730.db2.gz QWMIVCJACDMMEV-LLVKDONJSA-N -1 0 303.278 -0.412 20 0 DBADRM CC(C)[C@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)N1CCCC1=O ZINC000370858870 392507531 /nfs/dbraw/zinc/50/75/31/392507531.db2.gz FEUNYLBGIDSZIN-ZYHUDNBSSA-N -1 0 322.369 -0.253 20 0 DBADRM O=Cc1ccccc1OCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000370858585 392507957 /nfs/dbraw/zinc/50/79/57/392507957.db2.gz CZOXGOXMEQUDRG-GFCCVEGCSA-N -1 0 317.305 -0.009 20 0 DBADRM NC(=O)N[C@H]1CCN(C(=O)CNC(=O)c2cccc(O)c2)C1 ZINC000427530371 392542808 /nfs/dbraw/zinc/54/28/08/392542808.db2.gz IEIHQMSMBNIWMU-JTQLQIEISA-N -1 0 306.322 -0.609 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000559916009 392512998 /nfs/dbraw/zinc/51/29/98/392512998.db2.gz BYHAQRMCXCNYNF-SSDOTTSWSA-N -1 0 321.742 -0.209 20 0 DBADRM CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1 ZINC000580785321 392551775 /nfs/dbraw/zinc/55/17/75/392551775.db2.gz VGWSPRORDAXTDK-SNVBAGLBSA-N -1 0 316.335 -0.241 20 0 DBADRM COc1ccc(C(=O)NCC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000427981498 392564480 /nfs/dbraw/zinc/56/44/80/392564480.db2.gz FSVUGDKVVLCFFW-LBPRGKRZSA-N -1 0 322.317 -0.263 20 0 DBADRM COc1ncccc1C(=O)N1Cc2nncn2C[C@H]1C(=O)[O-] ZINC000643858976 392574161 /nfs/dbraw/zinc/57/41/61/392574161.db2.gz SQPYTIAWDLGOGY-VIFPVBQESA-N -1 0 303.278 -0.209 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000643879453 392580565 /nfs/dbraw/zinc/58/05/65/392580565.db2.gz SLPPKQNTYWPGRP-QMTHXVAHSA-N -1 0 315.370 -0.855 20 0 DBADRM CC(C)c1[n-]n(C)c(=O)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000270983145 392581394 /nfs/dbraw/zinc/58/13/94/392581394.db2.gz DYCGLYJYBHKIEL-BDAKNGLRSA-N -1 0 301.368 -0.610 20 0 DBADRM O=C([O-])c1cnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(Cl)c1 ZINC000647450917 392590415 /nfs/dbraw/zinc/59/04/15/392590415.db2.gz DQYWCTXUXFTOTL-MRVPVSSYSA-N -1 0 324.724 -0.420 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)N[C@@H]2CCCNC2=O)c1 ZINC000647481047 392592006 /nfs/dbraw/zinc/59/20/06/392592006.db2.gz XNRXYRGDXQYQIT-SNVBAGLBSA-N -1 0 305.290 -0.282 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@@H]2CCCNC2=O)c1 ZINC000647482370 392593444 /nfs/dbraw/zinc/59/34/44/392593444.db2.gz WEGDAZOZNJSZBU-JTQLQIEISA-N -1 0 319.317 -0.034 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)NC)cc1)C(=O)[O-] ZINC000647487906 392596297 /nfs/dbraw/zinc/59/62/97/392596297.db2.gz HTVWAVLCPBQVIV-NSHDSACASA-N -1 0 321.333 -0.107 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC000647488001 392596526 /nfs/dbraw/zinc/59/65/26/392596526.db2.gz OPFJYLFPUVADEJ-QMMMGPOBSA-N -1 0 321.289 -0.065 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)cc1OC)C(=O)[O-] ZINC000647489860 392597578 /nfs/dbraw/zinc/59/75/78/392597578.db2.gz JGUJUDDDIDKUKQ-QMMMGPOBSA-N -1 0 323.305 -0.288 20 0 DBADRM CC[C@H](NC(=O)C(=O)N=c1ccn([C@H](C)COC)[nH]1)C(=O)[O-] ZINC000647489542 392597750 /nfs/dbraw/zinc/59/77/50/392597750.db2.gz LWFKOXNVFZAQMF-BDAKNGLRSA-N -1 0 312.326 -0.570 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000643971284 392603210 /nfs/dbraw/zinc/60/32/10/392603210.db2.gz HSTXVWBLLGRPNZ-JOYOIKCWSA-N -1 0 322.383 -0.642 20 0 DBADRM CCCCCOCC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424231717 392664919 /nfs/dbraw/zinc/66/49/19/392664919.db2.gz BMZWCNRPCQEGOW-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3nccn3c2)CCS1(=O)=O ZINC000424231091 392665463 /nfs/dbraw/zinc/66/54/63/392665463.db2.gz ANLPMIZHAZYINO-SNVBAGLBSA-N -1 0 323.330 -0.342 20 0 DBADRM C[C@]1(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCCOC1 ZINC000424231244 392665963 /nfs/dbraw/zinc/66/59/63/392665963.db2.gz AYOZYKUUFLVFSM-CABZTGNLSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C[C@@H]2CCCC[C@H]2O)CCS1(=O)=O ZINC000424254617 392666713 /nfs/dbraw/zinc/66/67/13/392666713.db2.gz YWHKWCRSIAWJPO-HBNTYKKESA-N -1 0 319.379 -0.362 20 0 DBADRM C[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1cccnc1 ZINC000424248649 392666733 /nfs/dbraw/zinc/66/67/33/392666733.db2.gz SIDFWNLIGXNDQS-MWLCHTKSSA-N -1 0 312.347 -0.105 20 0 DBADRM CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424265736 392666794 /nfs/dbraw/zinc/66/67/94/392666794.db2.gz VVRNSKYATLUVLZ-DCAQKATOSA-N -1 0 319.379 -0.242 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2n[nH]c3ccccc32)CCS1(=O)=O ZINC000424249124 392666841 /nfs/dbraw/zinc/66/68/41/392666841.db2.gz SUMQMHKRWCOTHZ-SNVBAGLBSA-N -1 0 323.330 -0.113 20 0 DBADRM COCCC1(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000424266547 392667225 /nfs/dbraw/zinc/66/72/25/392667225.db2.gz WXNBRCZXWIASCU-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)COC2CCCC2)CCS1(=O)=O ZINC000424243479 392667332 /nfs/dbraw/zinc/66/73/32/392667332.db2.gz NAYSKMZELVOVGH-SNVBAGLBSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H](O)C2CCCCC2)CCS1(=O)=O ZINC000424255579 392667555 /nfs/dbraw/zinc/66/75/55/392667555.db2.gz ZXGSKKXSSYCVAK-MNOVXSKESA-N -1 0 319.379 -0.362 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)CCS1(=O)=O ZINC000424249117 392667590 /nfs/dbraw/zinc/66/75/90/392667590.db2.gz SUMQMHKRWCOTHZ-JTQLQIEISA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)COc2cccnc2)CCS1(=O)=O ZINC000424240974 392667605 /nfs/dbraw/zinc/66/76/05/392667605.db2.gz KUKXVZBLNYJBEO-SNVBAGLBSA-N -1 0 314.319 -0.829 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCc2ccoc2)CCS1(=O)=O ZINC000424399029 392668624 /nfs/dbraw/zinc/66/86/24/392668624.db2.gz WJLQZFKXARPGHV-SECBINFHSA-N -1 0 302.308 -0.327 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)CCCCF)CCS1(=O)=O ZINC000424370214 392668951 /nfs/dbraw/zinc/66/89/51/392668951.db2.gz SKIRCWRDAXDPEU-MRVPVSSYSA-N -1 0 317.360 -0.751 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@@H]2CCCS2)CCS1(=O)=O ZINC000424404457 392670573 /nfs/dbraw/zinc/67/05/73/392670573.db2.gz GMCMWEWIKTWKBM-IUCAKERBSA-N -1 0 322.408 -0.225 20 0 DBADRM COc1cc(OC)nc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424477135 392670715 /nfs/dbraw/zinc/67/07/15/392670715.db2.gz VOIIOVROLXCOIQ-SSDOTTSWSA-N -1 0 317.323 -0.818 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@@H]2CCCS2)CCS1(=O)=O ZINC000424404456 392670861 /nfs/dbraw/zinc/67/08/61/392670861.db2.gz GMCMWEWIKTWKBM-DTWKUNHWSA-N -1 0 322.408 -0.225 20 0 DBADRM C[C@@H]1CSC[C@@H]1NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424455319 392671865 /nfs/dbraw/zinc/67/18/65/392671865.db2.gz UTGOBGPPRKELOV-VGMNWLOBSA-N -1 0 322.408 -0.369 20 0 DBADRM CO[C@@H]1CC[C@@H](NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424453059 392672071 /nfs/dbraw/zinc/67/20/71/392672071.db2.gz RATUGIMKQWWEBT-OPRDCNLKSA-N -1 0 320.367 -0.553 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCc3c[nH]nc3C2)C[C@H]1C(=O)[O-] ZINC000647504305 392622859 /nfs/dbraw/zinc/62/28/59/392622859.db2.gz QEHZJYMADBFSEP-GXSJLCMTSA-N -1 0 320.349 -0.136 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)C1 ZINC000319182439 392623447 /nfs/dbraw/zinc/62/34/47/392623447.db2.gz JXXKYQNYNDRGIQ-HZMBPMFUSA-N -1 0 313.354 -0.260 20 0 DBADRM CCN(C)C(=O)[C@@H](C)NC(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000319248524 392625050 /nfs/dbraw/zinc/62/50/50/392625050.db2.gz YZRXPUHPPDHBOR-YGRLFVJLSA-N -1 0 315.370 -0.014 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](CF)C2)CC1 ZINC000647505883 392625921 /nfs/dbraw/zinc/62/59/21/392625921.db2.gz LQPCJUQETNRYEP-SNVBAGLBSA-N -1 0 316.329 -0.103 20 0 DBADRM CCOc1nccnc1N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000644169277 392626387 /nfs/dbraw/zinc/62/63/87/392626387.db2.gz ITZSVJIFEJTACS-MRVPVSSYSA-N -1 0 301.324 -0.437 20 0 DBADRM CCC(O)(CC)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000174400622 392627407 /nfs/dbraw/zinc/62/74/07/392627407.db2.gz GRONNXFVSWBFKA-UHFFFAOYSA-N -1 0 306.322 -0.108 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC(=O)N1 ZINC000647508033 392627438 /nfs/dbraw/zinc/62/74/38/392627438.db2.gz FKGVSBIUICLOLR-SECBINFHSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@@H](Cn1cccn1)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647580477 392647738 /nfs/dbraw/zinc/64/77/38/392647738.db2.gz PJJUFEJKDFBZPO-GARJFASQSA-N -1 0 308.338 -0.243 20 0 DBADRM CC[C@H](COC)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647579904 392648056 /nfs/dbraw/zinc/64/80/56/392648056.db2.gz UBBMCAYJORVVAJ-SNVBAGLBSA-N -1 0 316.354 -0.475 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CO1 ZINC000647590298 392649214 /nfs/dbraw/zinc/64/92/14/392649214.db2.gz GFJKVLRQDUGRSH-VHSXEESVSA-N -1 0 314.338 -0.722 20 0 DBADRM COCC1(CCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000647589931 392649278 /nfs/dbraw/zinc/64/92/78/392649278.db2.gz NHRTZTRONBYICZ-JTQLQIEISA-N -1 0 314.338 -0.769 20 0 DBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NCCCC(=O)[O-] ZINC000647589897 392649368 /nfs/dbraw/zinc/64/93/68/392649368.db2.gz KSAIYTSUGZPXPW-IUCAKERBSA-N -1 0 322.383 -0.753 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NCCCn2ccnn2)CC1 ZINC000647584913 392649384 /nfs/dbraw/zinc/64/93/84/392649384.db2.gz WHFSHIIBUYGLMB-UHFFFAOYSA-N -1 0 323.353 -0.502 20 0 DBADRM CC[C@]1(CO)CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000647590279 392649466 /nfs/dbraw/zinc/64/94/66/392649466.db2.gz FJHGGUDLMIAEIT-AWEZNQCLSA-N -1 0 300.355 -0.022 20 0 DBADRM CN(C)c1nc(CNC(=O)C(=O)NCCCC(=O)[O-])cs1 ZINC000647584918 392649489 /nfs/dbraw/zinc/64/94/89/392649489.db2.gz WKHVDYDBWWAHEO-UHFFFAOYSA-N -1 0 314.367 -0.194 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000647586045 392649535 /nfs/dbraw/zinc/64/95/35/392649535.db2.gz LLBSBRSDXRDLGM-NSHDSACASA-N -1 0 320.349 -0.243 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC2CCC(F)CC2)CCO1 ZINC000647590172 392649553 /nfs/dbraw/zinc/64/95/53/392649553.db2.gz AUEVRKYFAUCQHQ-VQXHTEKXSA-N -1 0 316.329 -0.057 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000647589492 392649598 /nfs/dbraw/zinc/64/95/98/392649598.db2.gz OINWHYMMYKOFHC-SNVBAGLBSA-N -1 0 321.337 -0.530 20 0 DBADRM Cn1cc2c(n1)CCC[C@H]2NC(=O)C(=O)NCCCC(=O)[O-] ZINC000647589134 392649656 /nfs/dbraw/zinc/64/96/56/392649656.db2.gz ZIVZFPWRHSLCBP-SNVBAGLBSA-N -1 0 308.338 -0.105 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000647592093 392651171 /nfs/dbraw/zinc/65/11/71/392651171.db2.gz UEUGVWUKHUHQHE-WOPDTQHZSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)C1 ZINC000647593209 392652762 /nfs/dbraw/zinc/65/27/62/392652762.db2.gz DNWIHSUJNYHTHQ-FTGAXOIBSA-N -1 0 323.349 -0.906 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCOCC2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC000647617887 392655719 /nfs/dbraw/zinc/65/57/19/392655719.db2.gz YDDUPVILERZDIB-KXUCPTDWSA-N -1 0 308.356 -0.874 20 0 DBADRM CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)[O-] ZINC000647638836 392660796 /nfs/dbraw/zinc/66/07/96/392660796.db2.gz GBNBWYAQWKCQQY-UHFFFAOYSA-N -1 0 300.292 -0.071 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647642497 392663588 /nfs/dbraw/zinc/66/35/88/392663588.db2.gz MAKDZAILYOZYHP-VHSXEESVSA-N -1 0 307.368 -0.035 20 0 DBADRM CCC[C@@H](NC(=O)[C@@H]1Cn2c(C)nnc2CN1C)c1nnn[n-]1 ZINC000644383697 392736686 /nfs/dbraw/zinc/73/66/86/392736686.db2.gz KJDAWFORAXRATM-ZJUUUORDSA-N -1 0 319.373 -0.429 20 0 DBADRM Cn1nccc1[C@H](NS(=O)(=O)CC1CCOCC1)C(=O)[O-] ZINC000644572006 392778682 /nfs/dbraw/zinc/77/86/82/392778682.db2.gz WJHALZMGYDJESU-NSHDSACASA-N -1 0 317.367 -0.108 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C[C@@H]1C(=O)[O-] ZINC000647752358 392841380 /nfs/dbraw/zinc/84/13/80/392841380.db2.gz FVKWASKDPUAKBH-ZJUUUORDSA-N -1 0 323.353 -0.451 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)CCCOCc1ccccc1 ZINC000309946230 392798718 /nfs/dbraw/zinc/79/87/18/392798718.db2.gz KKXQLVBUIQKNRT-GFCCVEGCSA-N -1 0 317.363 -0.042 20 0 DBADRM CN(CC[N@H+](C)C1CC1)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000186734625 392802189 /nfs/dbraw/zinc/80/21/89/392802189.db2.gz ANGSUAPZKXPBMY-UHFFFAOYSA-N -1 0 317.349 -0.222 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)[C@@H](CNC(=O)OC(C)(C)C)OC ZINC000497226453 392803898 /nfs/dbraw/zinc/80/38/98/392803898.db2.gz KMMBYXHYRBOSPR-MRVPVSSYSA-N -1 0 310.372 -0.008 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])CC1 ZINC000372260646 392812484 /nfs/dbraw/zinc/81/24/84/392812484.db2.gz JCYFIRSUQJCROA-SECBINFHSA-N -1 0 321.351 -0.555 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N(C)Cc1n[n-]c(=O)o1 ZINC000647695488 392814384 /nfs/dbraw/zinc/81/43/84/392814384.db2.gz IANQIYKBQUVQMS-UHFFFAOYSA-N -1 0 306.344 -0.595 20 0 DBADRM Cc1nsc(C)c1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000294996644 131876927 /nfs/dbraw/zinc/87/69/27/131876927.db2.gz UMALOZNEFCRPGQ-UHFFFAOYSA-N -1 0 305.381 -0.044 20 0 DBADRM CN1CC[C@H](C(=O)N2CCC[C@H](CC(=O)[O-])C2)S1(=O)=O ZINC000647727961 392827508 /nfs/dbraw/zinc/82/75/08/392827508.db2.gz NCNGOJLWLBMHIB-NXEZZACHSA-N -1 0 304.368 -0.266 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)N1CCCCC1 ZINC000021015582 392828815 /nfs/dbraw/zinc/82/88/15/392828815.db2.gz YHZABWAKYYAMDM-SNVBAGLBSA-N -1 0 302.356 -0.274 20 0 DBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000647737366 392833379 /nfs/dbraw/zinc/83/33/79/392833379.db2.gz PCBDJRYEAKDGNA-QJPTWQEYSA-N -1 0 311.382 -0.234 20 0 DBADRM Cc1cc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2=O)n(C)n1 ZINC000647739354 392834435 /nfs/dbraw/zinc/83/44/35/392834435.db2.gz RDDKBNRQYLUQPZ-BBBLOLIVSA-N -1 0 306.322 -0.329 20 0 DBADRM COCCN1CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1=O ZINC000647740652 392834593 /nfs/dbraw/zinc/83/45/93/392834593.db2.gz KDSZYTKAXWJIRC-UHFFFAOYSA-N -1 0 307.306 -0.289 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000647742731 392836164 /nfs/dbraw/zinc/83/61/64/392836164.db2.gz KBIPWIBDDVBKCO-SKDRFNHKSA-N -1 0 320.367 -0.888 20 0 DBADRM CN(CCN1CCCS1(=O)=O)C(=O)C1(C(=O)[O-])CCC1 ZINC000647784209 392888619 /nfs/dbraw/zinc/88/86/19/392888619.db2.gz MELYWUWFYANYDP-UHFFFAOYSA-N -1 0 304.368 -0.265 20 0 DBADRM CCC(=O)N1CSC[C@@H]1C(=O)N[C@](C)(COC)C(=O)[O-] ZINC000262152431 392901086 /nfs/dbraw/zinc/90/10/86/392901086.db2.gz UCPOSWXYTHHGKZ-PRHODGIISA-N -1 0 304.368 -0.096 20 0 DBADRM CC1CCN(C(=O)C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)CC1 ZINC000647769212 392859197 /nfs/dbraw/zinc/85/91/97/392859197.db2.gz OMMXAEGUJZKUGA-LLVKDONJSA-N -1 0 308.338 -0.080 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000647773873 392872775 /nfs/dbraw/zinc/87/27/75/392872775.db2.gz KSYOYUXVBIYFRF-LLVKDONJSA-N -1 0 317.367 -0.267 20 0 DBADRM C[C@@H]1CN(CC(=O)[N-]OCc2ccccc2)C[C@H](C(N)=O)O1 ZINC000271380583 392931116 /nfs/dbraw/zinc/93/11/16/392931116.db2.gz OVAQRZONAXDPMX-DGCLKSJQSA-N -1 0 307.350 -0.191 20 0 DBADRM Cc1nc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)oc1C ZINC000272169431 392932344 /nfs/dbraw/zinc/93/23/44/392932344.db2.gz PQQMKKNHDVPHHI-UHFFFAOYSA-N -1 0 314.323 -0.510 20 0 DBADRM CCc1nn(C)c(OC)c1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000271821102 392932824 /nfs/dbraw/zinc/93/28/24/392932824.db2.gz QHYQORDPWLJQHU-UHFFFAOYSA-N -1 0 321.337 -0.280 20 0 DBADRM CS(=O)(=O)CCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000298871233 132081377 /nfs/dbraw/zinc/08/13/77/132081377.db2.gz GODALMHAWTUQJW-UHFFFAOYSA-N -1 0 320.392 -0.168 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000647929621 392938736 /nfs/dbraw/zinc/93/87/36/392938736.db2.gz BFUDUPQGNPKTLA-LLVKDONJSA-N -1 0 317.367 -0.510 20 0 DBADRM COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)[O-])c1 ZINC000274203203 392938992 /nfs/dbraw/zinc/93/89/92/392938992.db2.gz URADCDCMXWEAKR-UHFFFAOYSA-N -1 0 316.335 -0.688 20 0 DBADRM COc1ccsc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000274949319 392940636 /nfs/dbraw/zinc/94/06/36/392940636.db2.gz SKCVYFPJNXWXPW-RXMQYKEDSA-N -1 0 308.337 -0.636 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000042702515 132150981 /nfs/dbraw/zinc/15/09/81/132150981.db2.gz GBXARCDOUZTMLE-ZJUUUORDSA-N -1 0 322.383 -0.089 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](Nc2ccnc(C(N)=O)c2)C1=O ZINC000416439273 393007160 /nfs/dbraw/zinc/00/71/60/393007160.db2.gz BPVTYKKJMZBDCI-JQWIXIFHSA-N -1 0 320.349 -0.276 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])nn1 ZINC000428064091 393028250 /nfs/dbraw/zinc/02/82/50/393028250.db2.gz WIISCDNWJLFLNZ-SNVBAGLBSA-N -1 0 317.305 -0.811 20 0 DBADRM COC(=O)[C@H](CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)OC ZINC000347870699 393099115 /nfs/dbraw/zinc/09/91/15/393099115.db2.gz WAAGEZUQCMQVGA-QMMMGPOBSA-N -1 0 322.277 -0.646 20 0 DBADRM CN(CC(=O)NCc1nc(C(F)(F)F)n[nH]1)S(C)(=O)=O ZINC000331131342 393039692 /nfs/dbraw/zinc/03/96/92/393039692.db2.gz SQFLRXUPZYRCFG-UHFFFAOYSA-N -1 0 315.277 -0.669 20 0 DBADRM O=C(Cn1cn[nH]c1=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000189415859 393049665 /nfs/dbraw/zinc/04/96/65/393049665.db2.gz SUBVWTKDUMIXDZ-UHFFFAOYSA-N -1 0 302.250 -0.447 20 0 DBADRM CCc1n[n-]c(=NC(=O)N2CCn3nnc(CO)c3C2)s1 ZINC000647985772 393052837 /nfs/dbraw/zinc/05/28/37/393052837.db2.gz VPLKISFIDPNUCU-UHFFFAOYSA-N -1 0 309.355 -0.346 20 0 DBADRM CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000190659130 393061344 /nfs/dbraw/zinc/06/13/44/393061344.db2.gz KPLKYUVHZLJNOM-IUCAKERBSA-N -1 0 304.306 -0.499 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N2C[C@@H](O)C[C@H]2CO)c1 ZINC000424777796 393073745 /nfs/dbraw/zinc/07/37/45/393073745.db2.gz SKLQOMOTWSRTPC-HJTOQOCKSA-N -1 0 313.375 -0.243 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)nc1C ZINC000348906032 393179084 /nfs/dbraw/zinc/17/90/84/393179084.db2.gz DSHMRRMZWLQOOH-UHFFFAOYSA-N -1 0 312.355 -0.306 20 0 DBADRM COc1cccc(-c2nc(=NC(=O)C(=O)NCCO)s[n-]2)c1 ZINC000348892250 393179528 /nfs/dbraw/zinc/17/95/28/393179528.db2.gz IGJHMBQXOICOSE-UHFFFAOYSA-N -1 0 322.346 -0.317 20 0 DBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)c2cn(C)cn2)cc1C ZINC000348906129 393179665 /nfs/dbraw/zinc/17/96/65/393179665.db2.gz FTSDSRDVALNPMF-UHFFFAOYSA-N -1 0 312.355 -0.528 20 0 DBADRM O=C(CSc1nnnn1C1CC1)NC1(c2nnn[n-]2)CC1 ZINC000348272976 393135483 /nfs/dbraw/zinc/13/54/83/393135483.db2.gz DTTTYGPULIEQJB-UHFFFAOYSA-N -1 0 307.343 -0.581 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000348277607 393135687 /nfs/dbraw/zinc/13/56/87/393135687.db2.gz RHELYTUOGQHFLP-UHFFFAOYSA-N -1 0 322.350 -0.473 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)c1ccc2c(c1)NC(=O)CO2 ZINC000348290475 393137307 /nfs/dbraw/zinc/13/73/07/393137307.db2.gz FRCOHANBJULHSR-UHFFFAOYSA-N -1 0 300.278 -0.050 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CC1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000348294143 393137914 /nfs/dbraw/zinc/13/79/14/393137914.db2.gz QBWROQGQZRCLAD-SNVBAGLBSA-N -1 0 304.354 -0.046 20 0 DBADRM CCCc1nc(=NC(=O)NCCS(=O)(=O)NC)s[n-]1 ZINC000350903357 393257397 /nfs/dbraw/zinc/25/73/97/393257397.db2.gz TWACOAYWGFPDEL-UHFFFAOYSA-N -1 0 307.401 -0.417 20 0 DBADRM CN(Cc1ccccc1)C(=O)CS(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000350184156 393232064 /nfs/dbraw/zinc/23/20/64/393232064.db2.gz MOJXUOLUZKIJHZ-UHFFFAOYSA-N -1 0 310.335 -0.057 20 0 DBADRM Cc1cccc(CNC(=O)CS(=O)(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000350176624 393232452 /nfs/dbraw/zinc/23/24/52/393232452.db2.gz NCYVHDRGPVAJNQ-UHFFFAOYSA-N -1 0 310.335 -0.091 20 0 DBADRM Cc1ccc(CNC(=O)CS(=O)(=O)c2n[nH]c(=O)[n-]2)cc1 ZINC000350175807 393233021 /nfs/dbraw/zinc/23/30/21/393233021.db2.gz JUZJJHDGXDSKOV-UHFFFAOYSA-N -1 0 310.335 -0.091 20 0 DBADRM C[C@H]1C[C@H](C)CN(C(=O)CS(=O)(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000350185955 393234716 /nfs/dbraw/zinc/23/47/16/393234716.db2.gz ZJNSAJDJXCTQEO-YUMQZZPRSA-N -1 0 302.356 -0.212 20 0 DBADRM COc1ccccc1NC(=O)CS(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000350225384 393235067 /nfs/dbraw/zinc/23/50/67/393235067.db2.gz YENUKDUAUQBZIH-UHFFFAOYSA-N -1 0 312.307 -0.069 20 0 DBADRM COC(=O)c1cnc(S(=O)(=O)C[C@@H](C)CS(C)(=O)=O)[n-]1 ZINC000350185529 393235461 /nfs/dbraw/zinc/23/54/61/393235461.db2.gz VWHBXYJRPFCCCI-ZETCQYMHSA-N -1 0 324.380 -0.349 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)NC[C@@H](C)S(N)(=O)=O)s[n-]1 ZINC000350640927 393243341 /nfs/dbraw/zinc/24/33/41/393243341.db2.gz ZQSPFYTXUSSXSL-RITPCOANSA-N -1 0 323.400 -0.534 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)N[C@H]2CCC(=O)NC2=O)s[n-]1 ZINC000350665524 393243953 /nfs/dbraw/zinc/24/39/53/393243953.db2.gz DFINJOSTACBCLZ-WDSKDSINSA-N -1 0 313.339 -0.406 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)N2CCN(CCO)CC2)s[n-]1 ZINC000350655415 393244007 /nfs/dbraw/zinc/24/40/07/393244007.db2.gz WTPYYOBZQYRHMC-SECBINFHSA-N -1 0 315.399 -0.191 20 0 DBADRM C[C@](O)(CNC(=O)c1ccc(=O)n(-c2ccccc2)n1)C(=O)[O-] ZINC000349078953 393189748 /nfs/dbraw/zinc/18/97/48/393189748.db2.gz GESUIMMBSKPTNY-HNNXBMFYSA-N -1 0 317.301 -0.202 20 0 DBADRM C[C@@](O)(CNC(=O)[C@@H]1CSCN1C(=O)C1CCC1)C(=O)[O-] ZINC000349084213 393190845 /nfs/dbraw/zinc/19/08/45/393190845.db2.gz VFPQNRMSPYGTRY-TVQRCGJNSA-N -1 0 316.379 -0.360 20 0 DBADRM COC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)OC)c1ccn(C)n1 ZINC000349451753 393202169 /nfs/dbraw/zinc/20/21/69/393202169.db2.gz JMCVLRXRBZAEIE-SNVBAGLBSA-N -1 0 319.383 -0.021 20 0 DBADRM COCCCS(=O)(=O)NCc1nc(-c2ncc[nH]2)no1 ZINC000349759523 393214870 /nfs/dbraw/zinc/21/48/70/393214870.db2.gz ZTPRMLXBVDPIHA-UHFFFAOYSA-N -1 0 301.328 -0.084 20 0 DBADRM C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cnc([O-])n(C)c1=O ZINC000329374554 393262606 /nfs/dbraw/zinc/26/26/06/393262606.db2.gz LCHUUTRHVHYYPW-WDEREUQCSA-N -1 0 322.365 -0.579 20 0 DBADRM CC(C)(NC(=O)CNC(=O)c1ncccc1O)c1nnn[n-]1 ZINC000352544238 393384548 /nfs/dbraw/zinc/38/45/48/393384548.db2.gz PFPOWQWOLXLUOY-UHFFFAOYSA-N -1 0 305.298 -0.918 20 0 DBADRM COc1n[nH]c(NC(=O)CN(C)C(=O)[C@H](C)n2cccn2)n1 ZINC000352649043 393393580 /nfs/dbraw/zinc/39/35/80/393393580.db2.gz WMJHCUKTTHOZOR-QMMMGPOBSA-N -1 0 307.314 -0.332 20 0 DBADRM CC(C)(C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)N1CCOCC1 ZINC000352804665 393404595 /nfs/dbraw/zinc/40/45/95/393404595.db2.gz MTPVKAISHFKJQO-UHFFFAOYSA-N -1 0 317.371 -0.743 20 0 DBADRM CC(C)N1CCC[C@H](N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])C1=O ZINC000333369304 393356995 /nfs/dbraw/zinc/35/69/95/393356995.db2.gz FHZNQPRHHKEQAM-UWVGGRQHSA-N -1 0 323.353 -0.348 20 0 DBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(C(=O)[O-])co1 ZINC000352406955 393374642 /nfs/dbraw/zinc/37/46/42/393374642.db2.gz FYDLBNOCAHUVJI-VIFPVBQESA-N -1 0 323.305 -0.555 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000354337140 393431702 /nfs/dbraw/zinc/43/17/02/393431702.db2.gz SACWLZKGZUOWBD-UHFFFAOYSA-N -1 0 312.374 -0.985 20 0 DBADRM C[C@H](CN(C)C(=O)C(C)(C)NS(C)(=O)=O)c1nnn[n-]1 ZINC000358382008 393441009 /nfs/dbraw/zinc/44/10/09/393441009.db2.gz HYZSAVHVEYQPOH-SSDOTTSWSA-N -1 0 304.376 -0.911 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000370293555 393458640 /nfs/dbraw/zinc/45/86/40/393458640.db2.gz GZSYWTBIYKGZIY-GHMZBOCLSA-N -1 0 324.399 -0.379 20 0 DBADRM O=c1nc(CCNS(=O)(=O)CCOCC2CCC2)[n-]o1 ZINC000645686891 393492393 /nfs/dbraw/zinc/49/23/93/393492393.db2.gz ULZCSBQZZQYHKV-UHFFFAOYSA-N -1 0 305.356 -0.359 20 0 DBADRM CN1C(=O)C[C@@H](NS(=O)(=O)CCC[C@@H]2CCOC2)C1=O ZINC000645696043 393494414 /nfs/dbraw/zinc/49/44/14/393494414.db2.gz PBXXEELSLVOUOY-NXEZZACHSA-N -1 0 304.368 -0.520 20 0 DBADRM CS(=O)(=O)NCC[N-]S(=O)(=O)c1c(F)cccc1F ZINC000037170321 393501820 /nfs/dbraw/zinc/50/18/20/393501820.db2.gz KMJSNDIOBFJPES-UHFFFAOYSA-N -1 0 314.335 -0.208 20 0 DBADRM CCOC(=O)Cn1cnc(=NC(=O)c2cc(C)nc(NC)n2)[n-]1 ZINC000425097177 393508823 /nfs/dbraw/zinc/50/88/23/393508823.db2.gz GXDMIOUIWSKWEJ-UHFFFAOYSA-N -1 0 319.325 -0.923 20 0 DBADRM COC(=O)[C@@]1([N-]S(=O)(=O)CCOCC2CC2)CCOC1 ZINC000425163219 393512529 /nfs/dbraw/zinc/51/25/29/393512529.db2.gz CBEVGERGNYUSTO-GFCCVEGCSA-N -1 0 307.368 -0.336 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)CCOCC2CC2)CCOC1 ZINC000425163223 393512766 /nfs/dbraw/zinc/51/27/66/393512766.db2.gz CBEVGERGNYUSTO-LBPRGKRZSA-N -1 0 307.368 -0.336 20 0 DBADRM CC(C)(O)C(C)(C)CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000420575602 393593570 /nfs/dbraw/zinc/59/35/70/393593570.db2.gz ANCSKGVKXBDADM-SECBINFHSA-N -1 0 300.355 -0.167 20 0 DBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)c1c[nH]c(C2CC2)n1 ZINC000424226431 393635228 /nfs/dbraw/zinc/63/52/28/393635228.db2.gz DQCLOUXQTYAKRV-QMMMGPOBSA-N -1 0 318.293 -0.307 20 0 DBADRM CCCc1nc(CN2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])no1 ZINC000424262811 393636079 /nfs/dbraw/zinc/63/60/79/393636079.db2.gz GSJOQRYHMADPHM-ZETCQYMHSA-N -1 0 308.298 -0.212 20 0 DBADRM CCOc1cccc(N2CCN(C(=O)c3nc(=O)[nH][n-]3)CC2)n1 ZINC000106922854 393637070 /nfs/dbraw/zinc/63/70/70/393637070.db2.gz FNIUFEUMNZXMOF-UHFFFAOYSA-N -1 0 318.337 -0.146 20 0 DBADRM CN(C)c1ncc(CN2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])cn1 ZINC000424407063 393639653 /nfs/dbraw/zinc/63/96/53/393639653.db2.gz BKKNDFATHNFTKL-VIFPVBQESA-N -1 0 319.325 -0.691 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCC(=O)N(C)C)C(=O)[O-] ZINC000424440405 393639798 /nfs/dbraw/zinc/63/97/98/393639798.db2.gz WEPXDBLFEOXADH-VIFPVBQESA-N -1 0 301.343 -0.946 20 0 DBADRM CS[C@@H](C)CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424446799 393640729 /nfs/dbraw/zinc/64/07/29/393640729.db2.gz HDEJNQKYXCMQDB-JGVFFNPUSA-N -1 0 310.397 -0.369 20 0 DBADRM CC(C)(CCNC(=O)NCCNC(=O)c1ccn[nH]1)C(=O)[O-] ZINC000424448285 393640946 /nfs/dbraw/zinc/64/09/46/393640946.db2.gz JEOODAAMLJYDTH-UHFFFAOYSA-N -1 0 311.342 -0.060 20 0 DBADRM COc1ccnc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000424476824 393643720 /nfs/dbraw/zinc/64/37/20/393643720.db2.gz AZGVEGSFXXGSGD-SECBINFHSA-N -1 0 322.321 -0.575 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CO)C(=O)[O-] ZINC000424476978 393643737 /nfs/dbraw/zinc/64/37/37/393643737.db2.gz DQSYWLNMDJPINY-QWRGUYRKSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCc1cnn(C)c1)C(=O)[O-] ZINC000424517082 393644959 /nfs/dbraw/zinc/64/49/59/393644959.db2.gz KOLHWPSXTRHRDH-NSHDSACASA-N -1 0 310.354 -0.101 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1CCC[C@@H]1CCO)C(=O)[O-] ZINC000424489120 393645204 /nfs/dbraw/zinc/64/52/04/393645204.db2.gz ORYQSECSHIFVNP-SNVBAGLBSA-N -1 0 300.355 -0.023 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1C[C@H](O)C[C@H]1CO ZINC000613090645 393651467 /nfs/dbraw/zinc/65/14/67/393651467.db2.gz HKSMQYOQGXBDOB-WDEREUQCSA-N -1 0 305.290 -0.402 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N2C[C@@H](O)C[C@@H]2CO)c1 ZINC000424756285 393653314 /nfs/dbraw/zinc/65/33/14/393653314.db2.gz SKLQOMOTWSRTPC-NNUHMIRASA-N -1 0 313.375 -0.243 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000645936774 393733423 /nfs/dbraw/zinc/73/34/23/393733423.db2.gz ZRKDUZKXZWVHEF-JTQLQIEISA-N -1 0 310.335 -0.211 20 0 DBADRM Cc1nc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)cn1C ZINC000165951199 393734511 /nfs/dbraw/zinc/73/45/11/393734511.db2.gz WVERNXPYOJHNBL-UHFFFAOYSA-N -1 0 317.367 -0.112 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)CCCC(=O)[O-] ZINC000645969050 393736415 /nfs/dbraw/zinc/73/64/15/393736415.db2.gz GOSTZWLGHYMVQP-QMMMGPOBSA-N -1 0 301.386 -0.454 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCCOC[C@H]1CCOC1 ZINC000645979807 393737621 /nfs/dbraw/zinc/73/76/21/393737621.db2.gz HPTNYNADTXNZSD-LLVKDONJSA-N -1 0 324.399 -0.330 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCO[C@]3(CCOC3)C2)c[nH]1 ZINC000645974916 393737722 /nfs/dbraw/zinc/73/77/22/393737722.db2.gz QYIJEHGDTPQKBO-GFCCVEGCSA-N -1 0 316.335 -0.107 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CC[C@@]2(CCOC2)C1 ZINC000645988604 393738700 /nfs/dbraw/zinc/73/87/00/393738700.db2.gz YMPQXSQXOGUTLR-ZYHUDNBSSA-N -1 0 304.368 -0.107 20 0 DBADRM CCS(=O)(=O)NCCS(=O)(=O)N(C)C(C)(C)C(=O)[O-] ZINC000646008708 393739524 /nfs/dbraw/zinc/73/95/24/393739524.db2.gz VWNPEVRGPJJIHG-UHFFFAOYSA-N -1 0 316.401 -0.950 20 0 DBADRM CCN(CCC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC000646005007 393740076 /nfs/dbraw/zinc/74/00/76/393740076.db2.gz DWIOBRVXBDYNDM-UHFFFAOYSA-N -1 0 301.386 -0.453 20 0 DBADRM Cn1nncc1S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000646043285 393744299 /nfs/dbraw/zinc/74/42/99/393744299.db2.gz AZXXLMXBGXXOTH-BYPYZUCNSA-N -1 0 302.234 -0.501 20 0 DBADRM CN(CCCNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000646143624 393754664 /nfs/dbraw/zinc/75/46/64/393754664.db2.gz KFUSSELNYCEZGF-VHSXEESVSA-N -1 0 321.399 -0.180 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000646149478 393754709 /nfs/dbraw/zinc/75/47/09/393754709.db2.gz XZYUUIAPEVUBPR-UHFFFAOYSA-N -1 0 312.326 -0.566 20 0 DBADRM O=C([O-])CCCNC(=O)NCCCN1CCCS1(=O)=O ZINC000646146437 393754777 /nfs/dbraw/zinc/75/47/77/393754777.db2.gz YCOGEYRRCWVKMN-UHFFFAOYSA-N -1 0 307.372 -0.424 20 0 DBADRM COCCOC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000646169120 393755513 /nfs/dbraw/zinc/75/55/13/393755513.db2.gz KWAQBHKHOJESKQ-UHFFFAOYSA-N -1 0 316.354 -0.075 20 0 DBADRM CN1CCC[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1=O ZINC000646152314 393755530 /nfs/dbraw/zinc/75/55/30/393755530.db2.gz YIDSWDPIXUKJMT-SNVBAGLBSA-N -1 0 313.354 -0.212 20 0 DBADRM COC[C@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCO1 ZINC000646170522 393755553 /nfs/dbraw/zinc/75/55/53/393755553.db2.gz UDNDGVZRYXZHRD-LLVKDONJSA-N -1 0 316.354 -0.075 20 0 DBADRM CNS(=O)(=O)NC1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000646165924 393755569 /nfs/dbraw/zinc/75/55/69/393755569.db2.gz CZFXSHRJLAJDIZ-UHFFFAOYSA-N -1 0 322.387 -0.921 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646163003 393755581 /nfs/dbraw/zinc/75/55/81/393755581.db2.gz QBYJEPMBYRBNOW-GHMZBOCLSA-N -1 0 316.354 -0.029 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646161521 393755589 /nfs/dbraw/zinc/75/55/89/393755589.db2.gz IIHBYIOCSSEBAF-VHSXEESVSA-N -1 0 302.327 -0.419 20 0 DBADRM Cn1nnc(CNC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)n1 ZINC000429643698 393696117 /nfs/dbraw/zinc/69/61/17/393696117.db2.gz FDXSFQMJXZNXGJ-UHFFFAOYSA-N -1 0 301.266 -0.517 20 0 DBADRM CN(CC(F)(F)F)C(=O)CS(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000429895861 393699980 /nfs/dbraw/zinc/69/99/80/393699980.db2.gz DDNYXKDCSTXRTM-UHFFFAOYSA-N -1 0 302.234 -0.695 20 0 DBADRM NC(=O)c1cccc(OCCC(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000443519653 393717955 /nfs/dbraw/zinc/71/79/55/393717955.db2.gz WJEPQVMZXNJQQJ-UHFFFAOYSA-N -1 0 305.294 -0.306 20 0 DBADRM Cc1ccc(CNC(=O)NCC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000443520416 393718105 /nfs/dbraw/zinc/71/81/05/393718105.db2.gz RTGYVYQVONEODT-UHFFFAOYSA-N -1 0 318.337 -0.066 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000496007077 393834152 /nfs/dbraw/zinc/83/41/52/393834152.db2.gz YHLPMZPUTQDJKU-UHFFFAOYSA-N -1 0 305.287 -0.276 20 0 DBADRM C=CC(=O)NCCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000490756698 393792237 /nfs/dbraw/zinc/79/22/37/393792237.db2.gz HJRMRFMLWILWBL-UHFFFAOYSA-N -1 0 319.368 -0.460 20 0 DBADRM CCOC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)CCOC)C(C)C ZINC000491476140 393815496 /nfs/dbraw/zinc/81/54/96/393815496.db2.gz FYEHGZBYTBGUCZ-SECBINFHSA-N -1 0 310.372 -0.151 20 0 DBADRM COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000491540303 393818174 /nfs/dbraw/zinc/81/81/74/393818174.db2.gz RTLVIORDPQSFBZ-VIFPVBQESA-N -1 0 308.356 -0.300 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])CC1 ZINC000054053877 285679270 /nfs/dbraw/zinc/67/92/70/285679270.db2.gz BVSSGBDPXZBOQK-SECBINFHSA-N -1 0 322.383 -0.089 20 0 DBADRM COC[C@@H](NC(=O)CNC(=O)NC1CCCCC1)C(=O)[O-] ZINC000263141401 292820985 /nfs/dbraw/zinc/82/09/85/292820985.db2.gz YKGWJTZYZGQILV-SNVBAGLBSA-N -1 0 301.343 -0.166 20 0 DBADRM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)[N-]OCC(N)=O)C2=O ZINC000271402703 299781578 /nfs/dbraw/zinc/78/15/78/299781578.db2.gz NAYUJIMEZISKSS-ISVAXAHUSA-N -1 0 312.326 -0.980 20 0 DBADRM C[C@H](CC(=O)[O-])NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000036968593 298314064 /nfs/dbraw/zinc/31/40/64/298314064.db2.gz PLPKPFWOSQLQNH-SSDOTTSWSA-N -1 0 322.364 -0.525 20 0 DBADRM CC(C)NS(=O)(=O)NCCNc1ncncc1C(=O)[O-] ZINC000514793315 409753354 /nfs/dbraw/zinc/75/33/54/409753354.db2.gz VYFHVLJRRZFUFU-UHFFFAOYSA-N -1 0 303.344 -0.581 20 0 DBADRM COc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])o1 ZINC000655542426 411633313 /nfs/dbraw/zinc/63/33/13/411633313.db2.gz ACHFOZLIINVCFP-ZETCQYMHSA-N -1 0 303.292 -0.388 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000650232168 411637831 /nfs/dbraw/zinc/63/78/31/411637831.db2.gz OVJSSRDFGZLNJI-QWRGUYRKSA-N -1 0 324.399 -0.237 20 0 DBADRM CCNS(=O)(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000650232284 411638065 /nfs/dbraw/zinc/63/80/65/411638065.db2.gz TWPRHHIJMYSRGP-SECBINFHSA-N -1 0 319.383 -0.762 20 0 DBADRM Cn1cnc(=NC(=O)N2CCn3c(CC4CC4)nnc3C2)[n-]1 ZINC000650229995 411638231 /nfs/dbraw/zinc/63/82/31/411638231.db2.gz UXJQQXGDYQLGGR-UHFFFAOYSA-N -1 0 302.342 -0.171 20 0 DBADRM COCCNC(=O)[C@H](CC(C)C)NC(=O)N=c1ncn(C)[n-]1 ZINC000653293447 411707410 /nfs/dbraw/zinc/70/74/10/411707410.db2.gz JTBGXCCVUHUFLE-JTQLQIEISA-N -1 0 312.374 -0.464 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000653295332 411712059 /nfs/dbraw/zinc/71/20/59/411712059.db2.gz MEKZCUQDDOHOBI-ZJUUUORDSA-N -1 0 306.384 -0.069 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000659136961 411714775 /nfs/dbraw/zinc/71/47/75/411714775.db2.gz FHRKBGCQTWNJRO-ZDUSSCGKSA-N -1 0 323.353 -0.108 20 0 DBADRM COc1ccc(CN(C)C(=O)C(=O)N(C)CCC(=O)[O-])cn1 ZINC000662913789 411656675 /nfs/dbraw/zinc/65/66/75/411656675.db2.gz NDIQXONECBJXCH-UHFFFAOYSA-N -1 0 309.322 -0.018 20 0 DBADRM CCN1C[C@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1=O ZINC000391520981 411669936 /nfs/dbraw/zinc/66/99/36/411669936.db2.gz SEGFMFVDXAZFCA-SNVBAGLBSA-N -1 0 313.354 -0.212 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1 ZINC000663109670 411670174 /nfs/dbraw/zinc/67/01/74/411670174.db2.gz ZCPCYPITTYPBKF-OAHLLOKOSA-N -1 0 311.382 -0.232 20 0 DBADRM COCCOCCS(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)[O-] ZINC000663286088 411671648 /nfs/dbraw/zinc/67/16/48/411671648.db2.gz AIXUPFDLFZNYRN-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CC[C@H]3COC[C@@H]3C2)C1 ZINC000663429876 411677849 /nfs/dbraw/zinc/67/78/49/411677849.db2.gz JSGDRPIQPKMZJD-WOPDTQHZSA-N -1 0 318.395 -0.004 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000037828086 411680236 /nfs/dbraw/zinc/68/02/36/411680236.db2.gz JTIMEEFZRNJXGB-MNOVXSKESA-N -1 0 318.395 -0.019 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)C1 ZINC000650700396 411683887 /nfs/dbraw/zinc/68/38/87/411683887.db2.gz HHYKTWKHIKWYGU-OLQVQODUSA-N -1 0 304.349 -0.012 20 0 DBADRM O=C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)NCC1CC1 ZINC000393236880 411684808 /nfs/dbraw/zinc/68/48/08/411684808.db2.gz DYHPMQZYDCHERU-UHFFFAOYSA-N -1 0 313.354 -0.307 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCC[C@H](CO)C1 ZINC000659054261 411687625 /nfs/dbraw/zinc/68/76/25/411687625.db2.gz OIAWVEDODKMCAN-VIFPVBQESA-N -1 0 307.306 -0.051 20 0 DBADRM CC1(C)CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@@H]1O ZINC000659057265 411687717 /nfs/dbraw/zinc/68/77/17/411687717.db2.gz AXLFLKDEAXFZOC-VIFPVBQESA-N -1 0 307.306 -0.052 20 0 DBADRM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659060286 411689136 /nfs/dbraw/zinc/68/91/36/411689136.db2.gz YEZRPSJGHMJGSL-BDAKNGLRSA-N -1 0 307.306 -0.052 20 0 DBADRM COC[C@H]1CCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659061469 411689291 /nfs/dbraw/zinc/68/92/91/411689291.db2.gz WGNJNAXZZPSOLW-SECBINFHSA-N -1 0 324.337 -0.111 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)CCc2ccnc(C)n2)[n-]n1 ZINC000650819525 411690036 /nfs/dbraw/zinc/69/00/36/411690036.db2.gz XDQHDLLDEJHFPU-UHFFFAOYSA-N -1 0 300.322 -0.072 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@H]2CCCN(C(C)=O)C2)[n-]n1 ZINC000650814995 411690307 /nfs/dbraw/zinc/69/03/07/411690307.db2.gz FIZVTJGHDVUQNL-JTQLQIEISA-N -1 0 305.338 -0.545 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@@H](C)OC[C@H]2CCCO2)[n-]n1 ZINC000650816533 411690575 /nfs/dbraw/zinc/69/05/75/411690575.db2.gz ZERLUWBPVYGTAW-NXEZZACHSA-N -1 0 308.338 -0.219 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)CN2CCCCCC2=O)[n-]n1 ZINC000650815257 411690595 /nfs/dbraw/zinc/69/05/95/411690595.db2.gz NHLYKYBWTIMCMD-UHFFFAOYSA-N -1 0 305.338 -0.401 20 0 DBADRM CNC(=O)c1ccc(=NC(=O)[C@H](C)OC[C@H]2CCCO2)[n-]n1 ZINC000650816535 411693881 /nfs/dbraw/zinc/69/38/81/411693881.db2.gz ZERLUWBPVYGTAW-VHSXEESVSA-N -1 0 308.338 -0.219 20 0 DBADRM O=C([O-])[C@@H]1CCCCN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000653278497 411701782 /nfs/dbraw/zinc/70/17/82/411701782.db2.gz ZMQOHWGFMZMZNQ-JTQLQIEISA-N -1 0 308.338 -0.153 20 0 DBADRM O=C(NC1(c2nnn[n-]2)CCCC1)[C@@H]1CCCS(=O)(=O)C1 ZINC000651353508 411738461 /nfs/dbraw/zinc/73/84/61/411738461.db2.gz JUTILRNCGOPYRO-SECBINFHSA-N -1 0 313.383 -0.090 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000653315710 411738470 /nfs/dbraw/zinc/73/84/70/411738470.db2.gz OQGSQYMCWRAKLT-PSASIEDQSA-N -1 0 319.321 -0.406 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1ccn2nnnc2c1)[C@@H]1CCCOC1 ZINC000659147194 411738619 /nfs/dbraw/zinc/73/86/19/411738619.db2.gz SSCDQPJQIFZNOZ-MWLCHTKSSA-N -1 0 305.294 -0.266 20 0 DBADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)CC1(n2cnnn2)CCOCC1 ZINC000659151878 411742667 /nfs/dbraw/zinc/74/26/67/411742667.db2.gz DFRISZISLQHCTI-ZJUUUORDSA-N -1 0 311.342 -0.206 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)NC2(CC(=O)[O-])CCC2)CC1 ZINC000653322460 411745487 /nfs/dbraw/zinc/74/54/87/411745487.db2.gz VTQWYMXHOXBXOZ-UHFFFAOYSA-N -1 0 319.383 -0.585 20 0 DBADRM CC(C)Oc1ccc(=NC(=O)C(=O)N(C)[C@H](C)CCO)[n-]n1 ZINC000652253371 411792373 /nfs/dbraw/zinc/79/23/73/411792373.db2.gz IBLNURTXJJRORO-SNVBAGLBSA-N -1 0 310.354 -0.147 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652050653 411751835 /nfs/dbraw/zinc/75/18/35/411751835.db2.gz IZXDUALHEFKPEX-MNOVXSKESA-N -1 0 312.347 -0.510 20 0 DBADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652066262 411753255 /nfs/dbraw/zinc/75/32/55/411753255.db2.gz DSKUQVITPNAYMX-UWVGGRQHSA-N -1 0 304.368 -0.076 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C2(n3cnnn3)CCCCC2)CCO1 ZINC000652059905 411753388 /nfs/dbraw/zinc/75/33/88/411753388.db2.gz IXEAEFLYTGRGEX-SNVBAGLBSA-N -1 0 309.326 -0.356 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652055497 411753575 /nfs/dbraw/zinc/75/35/75/411753575.db2.gz DBPCIELRPRPKFK-ZJUUUORDSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652054426 411753926 /nfs/dbraw/zinc/75/39/26/411753926.db2.gz BRGBURMRVPWCNE-LLVKDONJSA-N -1 0 312.347 -0.209 20 0 DBADRM O=C([O-])c1csc(CCNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC000652072157 411754206 /nfs/dbraw/zinc/75/42/06/411754206.db2.gz OXIVXFLPJLYCHB-ZCFIWIBFSA-N -1 0 319.364 -0.808 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc[nH]c2=O)s1 ZINC000047293511 411757530 /nfs/dbraw/zinc/75/75/30/411757530.db2.gz NNNXHBMEWQSGKW-UHFFFAOYSA-N -1 0 315.336 -0.150 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N(C)C[C@H]2CCC[C@@H]2O)[n-]1 ZINC000651637636 411765745 /nfs/dbraw/zinc/76/57/45/411765745.db2.gz XRCYAUKZRRXGDA-MNOVXSKESA-N -1 0 309.370 -0.161 20 0 DBADRM COC1(CS(=O)(=O)[N-]CC(F)(F)CO)CCOCC1 ZINC000651646835 411766495 /nfs/dbraw/zinc/76/64/95/411766495.db2.gz SXGOCNPPUNJBRQ-UHFFFAOYSA-N -1 0 303.327 -0.271 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)[n-]1 ZINC000651680943 411768810 /nfs/dbraw/zinc/76/88/10/411768810.db2.gz XWZJIKNTGPSJGB-LLVKDONJSA-N -1 0 307.354 -0.143 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCCC[C@@H]2CCO)[n-]1 ZINC000651684396 411769251 /nfs/dbraw/zinc/76/92/51/411769251.db2.gz LUUAKZBETVIZHQ-LLVKDONJSA-N -1 0 309.370 -0.017 20 0 DBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCO[C@H](C3CC3)C2)[n-]1 ZINC000651680944 411769514 /nfs/dbraw/zinc/76/95/14/411769514.db2.gz XWZJIKNTGPSJGB-NSHDSACASA-N -1 0 307.354 -0.143 20 0 DBADRM CCN1CCN(CC(=O)N(CC(=O)[O-])CC2CC2)C(=O)C1=O ZINC000653325996 411774504 /nfs/dbraw/zinc/77/45/04/411774504.db2.gz PBUZIDXIIBPWKA-UHFFFAOYSA-N -1 0 311.338 -1.000 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000044993998 411775646 /nfs/dbraw/zinc/77/56/46/411775646.db2.gz NKVOZCKDEOGZFE-UHFFFAOYSA-N -1 0 300.336 -0.272 20 0 DBADRM CCOC(=O)Cc1nnc(NC(=O)NC[C@@H](C)C(=O)[O-])s1 ZINC000593956274 411775853 /nfs/dbraw/zinc/77/58/53/411775853.db2.gz JCAPQIXCGSESDZ-ZCFIWIBFSA-N -1 0 316.339 0.486 20 0 DBADRM CC[C@@H]1CN(C)CCN1C(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651826754 411777142 /nfs/dbraw/zinc/77/71/42/411777142.db2.gz OWCSJYHXZFLGPE-LLVKDONJSA-N -1 0 308.386 -0.228 20 0 DBADRM C[C@H](COCC1CC1)NC(=O)C(=O)N=c1nc2n([n-]1)CCCC2 ZINC000652154330 411786684 /nfs/dbraw/zinc/78/66/84/411786684.db2.gz BZILIWYKNXSFFL-SNVBAGLBSA-N -1 0 321.381 -0.094 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC000659179149 411787358 /nfs/dbraw/zinc/78/73/58/411787358.db2.gz BCKWNAQJSJCUOZ-KMHCFJFGSA-N -1 0 313.354 -0.612 20 0 DBADRM CCOC(=O)Cn1ccc(NC(=O)NCC2(C(=O)[O-])CC2)n1 ZINC000596068744 411788773 /nfs/dbraw/zinc/78/87/73/411788773.db2.gz ZUYOUAGRPZNQQB-UHFFFAOYSA-N -1 0 310.310 0.433 20 0 DBADRM C[C@@](NC(=O)CC1(n2cnnn2)CCOCC1)(C(=O)[O-])C1CC1 ZINC000659138855 411720609 /nfs/dbraw/zinc/72/06/09/411720609.db2.gz WZQGSUHWTJPLIB-ZDUSSCGKSA-N -1 0 323.353 -0.062 20 0 DBADRM Cc1nc(N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)sc1S(N)(=O)=O ZINC000652536746 411805243 /nfs/dbraw/zinc/80/52/43/411805243.db2.gz JYONHBHNEUYMEZ-IYSWYEEDSA-N -1 0 321.380 -0.223 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000646042421 411805316 /nfs/dbraw/zinc/80/53/16/411805316.db2.gz SWTBQKRTDIVRLU-ZETCQYMHSA-N -1 0 305.312 -0.571 20 0 DBADRM C[C@@H]1CN(c2nccc(N3CCOCC3)n2)C[C@H](C(=O)[O-])O1 ZINC000652537007 411805415 /nfs/dbraw/zinc/80/54/15/411805415.db2.gz WDPLHVARQQOTCH-GHMZBOCLSA-N -1 0 308.338 -0.009 20 0 DBADRM NC(=O)[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000652618656 411806827 /nfs/dbraw/zinc/80/68/27/411806827.db2.gz RAJLVCQUQPTBHM-OCAPTIKFSA-N -1 0 305.290 -0.297 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-] ZINC000582669694 411807869 /nfs/dbraw/zinc/80/78/69/411807869.db2.gz CFVJBDGTXFPXSZ-NTSWFWBYSA-N -1 0 307.353 0.102 20 0 DBADRM CCN1C[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC1=O ZINC000652655502 411810052 /nfs/dbraw/zinc/81/00/52/411810052.db2.gz GGMISQUFCFNBIX-NXEZZACHSA-N -1 0 313.354 -0.850 20 0 DBADRM CCOC1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000652659876 411810186 /nfs/dbraw/zinc/81/01/86/411810186.db2.gz AYRRTLQNJKCNFY-NSHDSACASA-N -1 0 314.338 -0.674 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCN(C)C(=O)C1)C(=O)[O-] ZINC000652654299 411810281 /nfs/dbraw/zinc/81/02/81/411810281.db2.gz CIBVFXZTMJSSLW-SNVBAGLBSA-N -1 0 313.354 -0.850 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cn(C)nn2)C1 ZINC000652656103 411810321 /nfs/dbraw/zinc/81/03/21/411810321.db2.gz UTRPJMIQHYLICV-IUCAKERBSA-N -1 0 309.326 -1.000 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)c2ccccc21 ZINC000653331772 411810386 /nfs/dbraw/zinc/81/03/86/411810386.db2.gz WDKCOGKBPJWSAC-MNOVXSKESA-N -1 0 317.301 -0.032 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C ZINC000652662502 411810714 /nfs/dbraw/zinc/81/07/14/411810714.db2.gz UKZRHIFTSBCQIL-LLVKDONJSA-N -1 0 324.337 -0.747 20 0 DBADRM CCN(C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)[C@@H]1CCCOC1 ZINC000652661837 411810836 /nfs/dbraw/zinc/81/08/36/411810836.db2.gz AIWCJBLYWSJZJH-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@H](CO)C1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC000652660609 411810876 /nfs/dbraw/zinc/81/08/76/411810876.db2.gz SASZJOYIGLQEOJ-PWSUYJOCSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000653335711 411812123 /nfs/dbraw/zinc/81/21/23/411812123.db2.gz VGCHRBKKXMDOFH-LURJTMIESA-N -1 0 304.299 -0.190 20 0 DBADRM Cc1nn(CC(=O)NCc2cccc(C(=O)[O-])c2)c(=O)n1C ZINC000655540122 411816854 /nfs/dbraw/zinc/81/68/54/411816854.db2.gz WDSOBRRKSQIRCE-UHFFFAOYSA-N -1 0 304.306 -0.095 20 0 DBADRM NC(=O)[C@@]1(NS(=O)(=O)c2cc(C(=O)[O-])cs2)CCOC1 ZINC000653486787 411865813 /nfs/dbraw/zinc/86/58/13/411865813.db2.gz SFSLISWKFPMDST-SNVBAGLBSA-N -1 0 320.348 -0.631 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000653345493 411817539 /nfs/dbraw/zinc/81/75/39/411817539.db2.gz UMFYYGAGSARJMM-MRVPVSSYSA-N -1 0 305.294 -0.237 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@@H](C(=O)[O-])C1 ZINC000659221312 411825171 /nfs/dbraw/zinc/82/51/71/411825171.db2.gz LHKHQWMYCFCJGJ-OPRDCNLKSA-N -1 0 320.367 -0.889 20 0 DBADRM COc1cccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])c1F ZINC000653491901 411866275 /nfs/dbraw/zinc/86/62/75/411866275.db2.gz NTNAYFMITKYTAE-LLVKDONJSA-N -1 0 307.299 -0.052 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1ccc2c(c1)C(=O)CC2)C(=O)[O-] ZINC000653491958 411866379 /nfs/dbraw/zinc/86/63/79/411866379.db2.gz QXPAYYITVXJISU-ZDUSSCGKSA-N -1 0 313.331 -0.071 20 0 DBADRM C[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)cn1C)C(=O)[O-] ZINC000655558501 411833267 /nfs/dbraw/zinc/83/32/67/411833267.db2.gz GXBKLRJSXQOUCR-QMMMGPOBSA-N -1 0 317.367 -0.274 20 0 DBADRM C[C@H](CNC(=O)CNS(=O)(=O)c1cccc(F)c1)C(=O)[O-] ZINC000655559786 411833995 /nfs/dbraw/zinc/83/39/95/411833995.db2.gz RANFJPBKFWLFJO-MRVPVSSYSA-N -1 0 318.326 -0.059 20 0 DBADRM C[C@@H](CNC(=O)CCNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000655559763 411834107 /nfs/dbraw/zinc/83/41/07/411834107.db2.gz OYAQIYBBNNKSGL-VIFPVBQESA-N -1 0 315.351 -0.413 20 0 DBADRM CC(C)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000655564531 411834566 /nfs/dbraw/zinc/83/45/66/411834566.db2.gz HWDVTXHERJKPMY-SECBINFHSA-N -1 0 315.351 -0.184 20 0 DBADRM CCn1cnc(S(=O)(=O)[N-]c2cnc(C(=O)OC)cn2)c1 ZINC000345683659 411845055 /nfs/dbraw/zinc/84/50/55/411845055.db2.gz PSWGTFROILJSJI-UHFFFAOYSA-N -1 0 311.323 0.280 20 0 DBADRM O=C([O-])CN(C1CCC1)S(=O)(=O)CCCN1CCOCC1 ZINC000653495244 411868144 /nfs/dbraw/zinc/86/81/44/411868144.db2.gz BQEDWUMRBBWPTB-UHFFFAOYSA-N -1 0 320.411 -0.022 20 0 DBADRM CN=c1[n-]nc(CC(=O)N2CCOC[C@@H]2c2ccnn2C)s1 ZINC000652985421 411867656 /nfs/dbraw/zinc/86/76/56/411867656.db2.gz NLQDEMCXNRIEBP-SNVBAGLBSA-N -1 0 322.394 -0.122 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCc2noc(C3CC3)n2)CCC1 ZINC000659652316 411857984 /nfs/dbraw/zinc/85/79/84/411857984.db2.gz UYNOJDONFOWUGN-UHFFFAOYSA-N -1 0 322.321 -0.066 20 0 DBADRM COCC[C@H](C)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659651182 411858179 /nfs/dbraw/zinc/85/81/79/411858179.db2.gz SXHDMSNQUAMIDQ-IMSIIYSGSA-N -1 0 314.338 -0.913 20 0 DBADRM C[C@]12COC[C@@H]1CN(C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C2 ZINC000659660253 411858986 /nfs/dbraw/zinc/85/89/86/411858986.db2.gz IHNZNRZTLNAQTF-ZVXAKGHKSA-N -1 0 310.350 -0.149 20 0 DBADRM CCN(C(=O)CNS(=O)(=O)c1cn(C)cn1)[C@@H](C)C(=O)[O-] ZINC000659769435 411887535 /nfs/dbraw/zinc/88/75/35/411887535.db2.gz GHIVOZTYTXLBAC-QMMMGPOBSA-N -1 0 318.355 -0.980 20 0 DBADRM COc1cccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1 ZINC000124099915 411887880 /nfs/dbraw/zinc/88/78/80/411887880.db2.gz HSURRSNQBYHWEO-SNVBAGLBSA-N -1 0 316.335 -0.308 20 0 DBADRM CCN(C(=O)CNS(=O)(=O)CCCOC)[C@@H](C)C(=O)[O-] ZINC000659772436 411888208 /nfs/dbraw/zinc/88/82/08/411888208.db2.gz ZHZRBIIBBFPOKX-VIFPVBQESA-N -1 0 310.372 -0.736 20 0 DBADRM C[C@H](COCC1CC1)NC(=O)N=c1ncn(CC(=O)N(C)C)[n-]1 ZINC000650055055 411927749 /nfs/dbraw/zinc/92/77/49/411927749.db2.gz ZZOUNFFEROYJPB-SNVBAGLBSA-N -1 0 324.385 -0.275 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCCC(=O)N(C)C)C1 ZINC000387518327 411927804 /nfs/dbraw/zinc/92/78/04/411927804.db2.gz WEZOYPVIMUDQLN-CYBMUJFWSA-N -1 0 301.343 -0.403 20 0 DBADRM C[C@@H](COCC1CC1)NC(=O)N=c1ncn(CC(=O)N(C)C)[n-]1 ZINC000650055054 411928460 /nfs/dbraw/zinc/92/84/60/411928460.db2.gz ZZOUNFFEROYJPB-JTQLQIEISA-N -1 0 324.385 -0.275 20 0 DBADRM CNC(=O)c1cccc(OCC(=O)N(CCOC)CC(=O)[O-])c1 ZINC000653537047 411877404 /nfs/dbraw/zinc/87/74/04/411877404.db2.gz IMQOBDWVCFBNJT-UHFFFAOYSA-N -1 0 324.333 -0.015 20 0 DBADRM CC(C)CN(CC(=O)[O-])C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400316924 411882712 /nfs/dbraw/zinc/88/27/12/411882712.db2.gz WOYSLEZTAJFNHL-SNVBAGLBSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@@H](CNC(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000655871551 411975017 /nfs/dbraw/zinc/97/50/17/411975017.db2.gz GOCMRBXMIOZCEA-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H](CNC(=O)NCCS(=O)(=O)NCC1CCC1)C(=O)[O-] ZINC000655866354 411975095 /nfs/dbraw/zinc/97/50/95/411975095.db2.gz ARKHVTARCADHLT-SECBINFHSA-N -1 0 321.399 -0.274 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)C(=O)[O-] ZINC000655894899 411975797 /nfs/dbraw/zinc/97/57/97/411975797.db2.gz OGLYCGJGUSJTDP-BDAKNGLRSA-N -1 0 312.326 -0.711 20 0 DBADRM C[C@@H](CNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000655874092 411976128 /nfs/dbraw/zinc/97/61/28/411976128.db2.gz ZSISOKMZVPNTMN-DTWKUNHWSA-N -1 0 307.372 -0.712 20 0 DBADRM C[C@H](CNC(=O)N1CCN(c2nc(N)ns2)CC1)C(=O)[O-] ZINC000655889607 411976156 /nfs/dbraw/zinc/97/61/56/411976156.db2.gz UHRPXRGMXRAHFR-SSDOTTSWSA-N -1 0 314.371 -0.327 20 0 DBADRM CC(C)[C@H](CNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC000655872736 411976282 /nfs/dbraw/zinc/97/62/82/411976282.db2.gz PJWPZVOEPGEIJJ-UTLUCORTSA-N -1 0 301.343 -0.325 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](C)C(=O)[O-])CC2 ZINC000655874247 411976369 /nfs/dbraw/zinc/97/63/69/411976369.db2.gz WJECKDHAROFQDK-BDAKNGLRSA-N -1 0 311.342 -0.241 20 0 DBADRM C[C@@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1)C(=O)[O-] ZINC000655883549 411976534 /nfs/dbraw/zinc/97/65/34/411976534.db2.gz BJWWKHATYFJKFH-DLOVCJGASA-N -1 0 310.354 -0.142 20 0 DBADRM C[C@H](CNC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000655888899 411976606 /nfs/dbraw/zinc/97/66/06/411976606.db2.gz PDKQVKJZWMBOBS-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000655884574 411976629 /nfs/dbraw/zinc/97/66/29/411976629.db2.gz NFRDHQBAWVRAOC-GRYCIOLGSA-N -1 0 318.370 -0.238 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC[C@H](C)C(=O)[O-] ZINC000655885587 411976708 /nfs/dbraw/zinc/97/67/08/411976708.db2.gz RULYTUHJGQLERL-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C)C(=O)[O-] ZINC000655940453 411979500 /nfs/dbraw/zinc/97/95/00/411979500.db2.gz BTUOJJCQHLFNHU-MRVPVSSYSA-N -1 0 319.317 -0.019 20 0 DBADRM CNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000655943393 411980139 /nfs/dbraw/zinc/98/01/39/411980139.db2.gz NERMKPNOYHEFCE-QMMMGPOBSA-N -1 0 307.306 -0.178 20 0 DBADRM C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2)C(=O)[O-] ZINC000655942873 411980621 /nfs/dbraw/zinc/98/06/21/411980621.db2.gz XPAYLHABKWRVSZ-SSDOTTSWSA-N -1 0 321.289 -0.207 20 0 DBADRM Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C2 ZINC000655977899 411981267 /nfs/dbraw/zinc/98/12/67/411981267.db2.gz LKSRFJSTVWQQMI-KCJUWKMLSA-N -1 0 320.349 -0.405 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@H]1CCCc2c1cnn2C)C(=O)[O-] ZINC000655982561 411981817 /nfs/dbraw/zinc/98/18/17/411981817.db2.gz WUGCAKTVYHYFLI-SCZZXKLOSA-N -1 0 308.338 -0.249 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCCc1cn2ccccc2n1)C(=O)[O-] ZINC000655978141 411981850 /nfs/dbraw/zinc/98/18/50/411981850.db2.gz OYGSJDVOCJUVDL-SNVBAGLBSA-N -1 0 318.333 -0.170 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCc1cccc2c1OCO2)C(=O)[O-] ZINC000655981564 411981885 /nfs/dbraw/zinc/98/18/85/411981885.db2.gz NTADSFDCJMDVQN-QMMMGPOBSA-N -1 0 308.290 -0.132 20 0 DBADRM Cc1nn(C)c(C)c1CCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655982582 411981996 /nfs/dbraw/zinc/98/19/96/411981996.db2.gz XBQQJUHTLXYYRN-MRVPVSSYSA-N -1 0 310.354 -0.467 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)Cn1cccn1)C(=O)[O-] ZINC000655979643 411982341 /nfs/dbraw/zinc/98/23/41/411982341.db2.gz JSOYTKLKWLBRPV-MNOVXSKESA-N -1 0 310.354 -0.139 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)nc1)C(=O)[O-] ZINC000655979197 411982354 /nfs/dbraw/zinc/98/23/54/411982354.db2.gz ARQBMNGRCBEQQO-SECBINFHSA-N -1 0 308.338 -0.399 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000655979594 411982434 /nfs/dbraw/zinc/98/24/34/411982434.db2.gz IMIRUKLLHNNORZ-MRVPVSSYSA-N -1 0 307.306 -0.761 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCNC(=O)C(C)(C)C)C(=O)[O-] ZINC000655983254 411982495 /nfs/dbraw/zinc/98/24/95/411982495.db2.gz IRNDYXOQGCQMEH-QMMMGPOBSA-N -1 0 301.343 -0.898 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1)C(=O)[O-] ZINC000655982512 411982512 /nfs/dbraw/zinc/98/25/12/411982512.db2.gz VVNFAVJANLMHIQ-GHMZBOCLSA-N -1 0 322.365 -0.144 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCN(C)C1=O)C(=O)[O-] ZINC000655988388 411982801 /nfs/dbraw/zinc/98/28/01/411982801.db2.gz QIFZSEAFPWFOEH-UWVGGRQHSA-N -1 0 313.354 -0.804 20 0 DBADRM CCCN1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1=O ZINC000655999916 411982851 /nfs/dbraw/zinc/98/28/51/411982851.db2.gz LDLLAGNDOJKWHA-SNVBAGLBSA-N -1 0 313.354 -0.706 20 0 DBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655990537 411982913 /nfs/dbraw/zinc/98/29/13/411982913.db2.gz FHSBQNGYXYFDGT-AEJSXWLSSA-N -1 0 302.327 -0.867 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(C)C1=O)C(=O)[O-] ZINC000655988389 411983190 /nfs/dbraw/zinc/98/31/90/411983190.db2.gz QIFZSEAFPWFOEH-VHSXEESVSA-N -1 0 313.354 -0.804 20 0 DBADRM Cc1nn(C)c(C)c1CCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655988875 411983394 /nfs/dbraw/zinc/98/33/94/411983394.db2.gz WMGUUKWPUHACLJ-VIFPVBQESA-N -1 0 324.381 -0.077 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCn2ccnc2C1)C(=O)[O-] ZINC000655992610 411983529 /nfs/dbraw/zinc/98/35/29/411983529.db2.gz CFILNCMVENIQIF-WDEREUQCSA-N -1 0 322.365 -0.213 20 0 DBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O)C(=O)[O-] ZINC000655996906 411983833 /nfs/dbraw/zinc/98/38/33/411983833.db2.gz HJUWWHWIGOBVCN-OPRDCNLKSA-N -1 0 311.338 -0.907 20 0 DBADRM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655989990 411983893 /nfs/dbraw/zinc/98/38/93/411983893.db2.gz GEZZCEPCJGNTOK-DTWKUNHWSA-N -1 0 324.381 -0.079 20 0 DBADRM C[C@@H](COCC(F)(F)F)NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655984617 411983909 /nfs/dbraw/zinc/98/39/09/411983909.db2.gz XPGANGKKMMMLKQ-BQBZGAKWSA-N -1 0 314.260 -0.093 20 0 DBADRM Cc1nnc([C@@H]2CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C2)[nH]1 ZINC000656002205 411984536 /nfs/dbraw/zinc/98/45/36/411984536.db2.gz WPTJWMFJQCZTAT-WCBMZHEXSA-N -1 0 323.353 -0.344 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1)C(=O)[O-] ZINC000656000439 411984633 /nfs/dbraw/zinc/98/46/33/411984633.db2.gz TTZCUZUPKZIODJ-LHLIQPBNSA-N -1 0 312.244 -0.651 20 0 DBADRM COCCN(Cc1ccccn1)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000656005834 411985406 /nfs/dbraw/zinc/98/54/06/411985406.db2.gz UZVNKUITUAYNMP-LLVKDONJSA-N -1 0 323.349 -0.107 20 0 DBADRM Cc1noc([C@H]2CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C2)n1 ZINC000656002028 411985631 /nfs/dbraw/zinc/98/56/31/411985631.db2.gz RVEGDLIDNIRDCU-SCZZXKLOSA-N -1 0 324.337 -0.079 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1)C(=O)[O-] ZINC000656001040 411985655 /nfs/dbraw/zinc/98/56/55/411985655.db2.gz YTAQSDGRMXXYDS-VHSXEESVSA-N -1 0 309.326 -0.722 20 0 DBADRM Cc1noc(C2CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC2)n1 ZINC000656001832 411985888 /nfs/dbraw/zinc/98/58/88/411985888.db2.gz NGACMMYFEOQVOO-MRVPVSSYSA-N -1 0 324.337 -0.079 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@H](c2cc[nH]n2)C1)C(=O)[O-] ZINC000656006386 411986693 /nfs/dbraw/zinc/98/66/93/411986693.db2.gz XMMWBZOMRXIHGO-UWVGGRQHSA-N -1 0 308.338 -0.047 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@H](c2ncc[nH]2)C1)C(=O)[O-] ZINC000656008112 411986714 /nfs/dbraw/zinc/98/67/14/411986714.db2.gz QKKKOFVBYSRBTQ-UWVGGRQHSA-N -1 0 308.338 -0.047 20 0 DBADRM CC(C)NC(=O)CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000656013617 411986935 /nfs/dbraw/zinc/98/69/35/411986935.db2.gz PCZOZHOQUUBXMB-JTQLQIEISA-N -1 0 315.370 -0.510 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C[C@@H]1OC ZINC000656010652 411987098 /nfs/dbraw/zinc/98/70/98/411987098.db2.gz FJLXYVGIEUCJOH-MXWKQRLJSA-N -1 0 316.354 -0.668 20 0 DBADRM CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCOC1)C(=O)[O-] ZINC000656011870 411987143 /nfs/dbraw/zinc/98/71/43/411987143.db2.gz SZMQCAXRJBCJKC-QWRGUYRKSA-N -1 0 300.355 -0.046 20 0 DBADRM CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])[C@@H](C)CS(C)(=O)=O ZINC000656007978 411987271 /nfs/dbraw/zinc/98/72/71/411987271.db2.gz PESKGBPUQPLODG-IUCAKERBSA-N -1 0 322.383 -0.895 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@](F)(CO)C1)C(=O)[O-] ZINC000656008458 411987400 /nfs/dbraw/zinc/98/74/00/411987400.db2.gz JGRIQVOASMZMQP-NOZJJQNGSA-N -1 0 304.318 -0.608 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000656007683 411987428 /nfs/dbraw/zinc/98/74/28/411987428.db2.gz LBTJJMQXXSEOJW-HLTSFMKQSA-N -1 0 322.383 -0.897 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC(CO)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656017350 411989298 /nfs/dbraw/zinc/98/92/98/411989298.db2.gz OLNVIFXLKXPGSJ-INTQDDNPSA-N -1 0 312.366 -0.311 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000656102340 411996494 /nfs/dbraw/zinc/99/64/94/411996494.db2.gz IQWOSMHVTUBZKZ-SCZZXKLOSA-N -1 0 324.337 -0.094 20 0 DBADRM COc1cccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1F ZINC000656156826 411997022 /nfs/dbraw/zinc/99/70/22/411997022.db2.gz URHHVRQXFSBBGO-ZETCQYMHSA-N -1 0 307.299 -0.052 20 0 DBADRM O=C([O-])[C@H](CCF)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000656162086 411997252 /nfs/dbraw/zinc/99/72/52/411997252.db2.gz BHCDQAHCEUHTRT-SCZZXKLOSA-N -1 0 321.330 -0.064 20 0 DBADRM O=C([O-])CN(CCO)S(=O)(=O)c1ccc2c(c1)C(=O)CC2 ZINC000656158925 411997514 /nfs/dbraw/zinc/99/75/14/411997514.db2.gz OMBTYZOIDREPTE-UHFFFAOYSA-N -1 0 313.331 -0.117 20 0 DBADRM COc1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)c1F ZINC000656155957 411997539 /nfs/dbraw/zinc/99/75/39/411997539.db2.gz MOHTYAIIPXGLEZ-QUBYGPBYSA-N -1 0 307.299 -0.053 20 0 DBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1ccc2c(c1)C(=O)CC2 ZINC000656156181 411997690 /nfs/dbraw/zinc/99/76/90/411997690.db2.gz YTGGTTGAKCCNJG-LLVKDONJSA-N -1 0 313.331 -0.071 20 0 DBADRM CO[C@H](C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[O-])C1CC1 ZINC000656168134 411997712 /nfs/dbraw/zinc/99/77/12/411997712.db2.gz CZYNYPXHKDZCTP-WDEREUQCSA-N -1 0 317.367 -0.033 20 0 DBADRM CO[C@@H](C[C@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-])C1CC1 ZINC000656170597 411998510 /nfs/dbraw/zinc/99/85/10/411998510.db2.gz ZAPXRMXZWIRSAV-QWRGUYRKSA-N -1 0 322.383 -0.579 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N(C)CCN1CCCS1(=O)=O ZINC000656244798 411999104 /nfs/dbraw/zinc/99/91/04/411999104.db2.gz REVPUMZJHFCEMF-SNVBAGLBSA-N -1 0 306.384 -0.019 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000656514184 412007220 /nfs/dbraw/zinc/00/72/20/412007220.db2.gz LYRRCOOTRDPELD-QWRGUYRKSA-N -1 0 306.384 -0.270 20 0 DBADRM COC1CCN(S(=O)(=O)N2CC([C@@H](C)C(=O)[O-])C2)CC1 ZINC000656515442 412007325 /nfs/dbraw/zinc/00/73/25/412007325.db2.gz GZJABWAAEJONDI-SECBINFHSA-N -1 0 306.384 -0.006 20 0 DBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-] ZINC000656513167 412007646 /nfs/dbraw/zinc/00/76/46/412007646.db2.gz RNIIWRRUOHRELC-GHMZBOCLSA-N -1 0 324.399 -0.454 20 0 DBADRM O=C([O-])[C@H](O)CNS(=O)(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000656526393 412007814 /nfs/dbraw/zinc/00/78/14/412007814.db2.gz RJOQLMYXRQCXHO-GMTAPVOTSA-N -1 0 306.384 -0.222 20 0 DBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)CCOCC(F)(F)F ZINC000656563593 412008498 /nfs/dbraw/zinc/00/84/98/412008498.db2.gz UNVHMQSJZUIPJU-SSDOTTSWSA-N -1 0 321.273 -0.320 20 0 DBADRM CO[C@H](CS(=O)(=O)N1CCOC[C@@H]1C(=O)[O-])[C@H]1CCOC1 ZINC000656562586 412008583 /nfs/dbraw/zinc/00/85/83/412008583.db2.gz JWWJTWJTVSRAEH-HBNTYKKESA-N -1 0 323.367 -0.847 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000656561424 412008704 /nfs/dbraw/zinc/00/87/04/412008704.db2.gz GFBFVOXWNKIMEY-NQBHXWOUSA-N -1 0 318.395 -0.004 20 0 DBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)CCC[C@@H]1CCOC1 ZINC000656563947 412009115 /nfs/dbraw/zinc/00/91/15/412009115.db2.gz ZAWUDBOHBKSIHO-MNOVXSKESA-N -1 0 307.368 -0.082 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC[C@](C)(O)C(=O)[O-])C1CCCC1 ZINC000656561818 412009832 /nfs/dbraw/zinc/00/98/32/412009832.db2.gz FHTGPNXILJHQQD-JQWIXIFHSA-N -1 0 309.384 -0.053 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)c1cscn1)C2 ZINC000656564444 412011211 /nfs/dbraw/zinc/01/12/11/412011211.db2.gz NJOZOENEYYGTNL-GMSGAONNSA-N -1 0 304.349 -0.135 20 0 DBADRM COC[C@H](CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1)OC ZINC000656717094 412011985 /nfs/dbraw/zinc/01/19/85/412011985.db2.gz KENGLMUMWKFKSC-NSHDSACASA-N -1 0 324.399 -0.331 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000656718062 412012394 /nfs/dbraw/zinc/01/23/94/412012394.db2.gz PTNGMOXELSZBEZ-BDAKNGLRSA-N -1 0 303.340 -0.443 20 0 DBADRM COCCn1cc(S(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])cn1 ZINC000656717288 412012399 /nfs/dbraw/zinc/01/23/99/412012399.db2.gz MDRABOZPXYEORG-ZJUUUORDSA-N -1 0 319.339 -0.950 20 0 DBADRM CO[C@H](CNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])[C@H]1CCOC1 ZINC000656719277 412012575 /nfs/dbraw/zinc/01/25/75/412012575.db2.gz URCUHIAKRIQCFP-HBNTYKKESA-N -1 0 322.383 -0.579 20 0 DBADRM CN(C[C@@H]1COCCO1)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000656720968 412012645 /nfs/dbraw/zinc/01/26/45/412012645.db2.gz GWWKBIKLVRPCSL-SSDOTTSWSA-N -1 0 322.364 -0.123 20 0 DBADRM C[C@](CNC(=O)CN1CCNCC1=O)(C(=O)[O-])c1ccccc1 ZINC000656857100 412013678 /nfs/dbraw/zinc/01/36/78/412013678.db2.gz ZNFLPCMVPBYIND-MRXNPFEDSA-N -1 0 319.361 -0.423 20 0 DBADRM CCS(=O)(=O)NCCCNS(=O)(=O)c1ccccc1[O-] ZINC000656889179 412015237 /nfs/dbraw/zinc/01/52/37/412015237.db2.gz JEKOODGELURFKX-UHFFFAOYSA-N -1 0 322.408 0.000 20 0 DBADRM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1ccccc1[O-] ZINC000656899448 412015705 /nfs/dbraw/zinc/01/57/05/412015705.db2.gz LRSBSWARDWPOJS-VIFPVBQESA-N -1 0 302.352 -0.097 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2ccccc2[O-])O1 ZINC000656934658 412017381 /nfs/dbraw/zinc/01/73/81/412017381.db2.gz KHYAVDSSNVDRBO-SCZZXKLOSA-N -1 0 300.336 -0.297 20 0 DBADRM O=C1NC(=O)N2CCN(S(=O)(=O)c3ccccc3[O-])C[C@H]12 ZINC000656952275 412017420 /nfs/dbraw/zinc/01/74/20/412017420.db2.gz FWQNDGXPUJPKSX-MRVPVSSYSA-N -1 0 311.319 -0.683 20 0 DBADRM Cn1c(=O)oc2cc(S(=O)(=O)N3CC[C@@H]3C(=O)[O-])ccc21 ZINC000384653215 411944234 /nfs/dbraw/zinc/94/42/34/411944234.db2.gz LABYXAYUSNJPSL-SECBINFHSA-N -1 0 312.303 -0.021 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000654772326 411949353 /nfs/dbraw/zinc/94/93/53/411949353.db2.gz PLRHZFLQGREORY-CQSZACIVSA-N -1 0 300.322 -0.336 20 0 DBADRM C[C@@H](CC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1)NC(N)=O ZINC000655021244 411961798 /nfs/dbraw/zinc/96/17/98/411961798.db2.gz LJTQOYIABCGQQI-ZETCQYMHSA-N -1 0 305.298 -0.247 20 0 DBADRM CO[C@@H](CS(=O)(=O)[N-]CC(F)(F)CN)[C@H]1CCOC1 ZINC000658371560 412054112 /nfs/dbraw/zinc/05/41/12/412054112.db2.gz KHWFTPKLVXYGJO-IUCAKERBSA-N -1 0 302.343 -0.449 20 0 DBADRM O=S(=O)(NC[C@@]1(O)CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000657000250 412021569 /nfs/dbraw/zinc/02/15/69/412021569.db2.gz YVRMARYUTDQBRZ-NSHDSACASA-N -1 0 321.376 -0.780 20 0 DBADRM CCN1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1=O ZINC000659060588 412076643 /nfs/dbraw/zinc/07/66/43/412076643.db2.gz ZKAISLFOMZQERB-UHFFFAOYSA-N -1 0 320.305 -0.591 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCC(F)(F)CO ZINC000659056280 412076669 /nfs/dbraw/zinc/07/66/69/412076669.db2.gz CCGGDSAXTFNIBB-UHFFFAOYSA-N -1 0 303.221 -0.538 20 0 DBADRM CC[C@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@@H]1O ZINC000659055968 412076849 /nfs/dbraw/zinc/07/68/49/412076849.db2.gz QTJKMASZRKYPJC-WPRPVWTQSA-N -1 0 307.306 -0.052 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C(=O)NC ZINC000659060866 412077087 /nfs/dbraw/zinc/07/70/87/412077087.db2.gz NHWZWWGCWHEJLS-SSDOTTSWSA-N -1 0 308.294 -0.641 20 0 DBADRM CCN1CC[C@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])C1=O ZINC000659059872 412077121 /nfs/dbraw/zinc/07/71/21/412077121.db2.gz UDEDHMPABYUORA-VIFPVBQESA-N -1 0 320.305 -0.545 20 0 DBADRM C[C@@H]1[C@H](O)CCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659059274 412077186 /nfs/dbraw/zinc/07/71/86/412077186.db2.gz AZRAOXXYRKCYRM-RKDXNWHRSA-N -1 0 324.337 -0.377 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC(=O)N1 ZINC000659059844 412077280 /nfs/dbraw/zinc/07/72/80/412077280.db2.gz GYYRMGGSLVTUAN-ZETCQYMHSA-N -1 0 306.278 -0.935 20 0 DBADRM CCCNC(=O)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659056464 412077312 /nfs/dbraw/zinc/07/73/12/412077312.db2.gz MQRXIXOHKFYNDF-UHFFFAOYSA-N -1 0 308.294 -0.639 20 0 DBADRM C[C@H]1COCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659060083 412077327 /nfs/dbraw/zinc/07/73/27/412077327.db2.gz ICGDXLXKAVIPQH-VIFPVBQESA-N -1 0 324.337 -0.111 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)N=c1nc[nH]n1C)CC(=O)[O-] ZINC000659067722 412077790 /nfs/dbraw/zinc/07/77/90/412077790.db2.gz GPHMOSOYCKQCGP-VIFPVBQESA-N -1 0 311.342 -0.571 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CCO1 ZINC000659051240 412076323 /nfs/dbraw/zinc/07/63/23/412076323.db2.gz ULXVLYNSYXASPN-SECBINFHSA-N -1 0 324.337 -0.111 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])S1(=O)=O ZINC000659243927 412083038 /nfs/dbraw/zinc/08/30/38/412083038.db2.gz XEOSOMWVIJKSTL-PTRXPTGYSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1)C(=O)[O-] ZINC000659063131 412078619 /nfs/dbraw/zinc/07/86/19/412078619.db2.gz RUZSPTQGSYRSKY-RDDDGLTNSA-N -1 0 321.289 -0.561 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCC(=O)N(C)C)CC(=O)[O-] ZINC000659068895 412078764 /nfs/dbraw/zinc/07/87/64/412078764.db2.gz XDUAVPMQKOWZNE-JTQLQIEISA-N -1 0 315.370 -0.556 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000659117843 412080908 /nfs/dbraw/zinc/08/09/08/412080908.db2.gz OPQCMSRZMHOIBY-LLVKDONJSA-N -1 0 323.353 -0.108 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)Nc2ccn(CC(=O)[O-])n2)n1 ZINC000659131602 412080964 /nfs/dbraw/zinc/08/09/64/412080964.db2.gz QUQWWDLHUJEZBQ-UHFFFAOYSA-N -1 0 307.314 -0.110 20 0 DBADRM CCC[C@H](CNC(=O)C1(n2cnnn2)CCOCC1)C(=O)[O-] ZINC000659161209 412081026 /nfs/dbraw/zinc/08/10/26/412081026.db2.gz PKGLOTDMKMYBHQ-SNVBAGLBSA-N -1 0 311.342 -0.204 20 0 DBADRM O=C([O-])[C@H](NC(=O)c1nc2ncccn2n1)[C@H]1CCCOC1 ZINC000659145527 412081107 /nfs/dbraw/zinc/08/11/07/412081107.db2.gz FYLSPOVYTVWPIC-DTWKUNHWSA-N -1 0 305.294 -0.266 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccn2nnnc2c1 ZINC000659170712 412081176 /nfs/dbraw/zinc/08/11/76/412081176.db2.gz SSGXZDKWAZENKF-ZDUSSCGKSA-N -1 0 305.294 -0.170 20 0 DBADRM O=C([O-])[C@@H](CC1CC1)NC(=O)CC1(n2cnnn2)CCOCC1 ZINC000659142816 412081191 /nfs/dbraw/zinc/08/11/91/412081191.db2.gz RIJFPTXIHFSPNQ-LLVKDONJSA-N -1 0 323.353 -0.062 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)CC1(n2cnnn2)CCOCC1 ZINC000659126626 412081468 /nfs/dbraw/zinc/08/14/68/412081468.db2.gz WFPIEJWXFUYDJY-UHFFFAOYSA-N -1 0 311.342 -0.110 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NCc1ccoc1C(=O)[O-] ZINC000659200200 412081523 /nfs/dbraw/zinc/08/15/23/412081523.db2.gz FUOPQCMGWMGFAR-UHFFFAOYSA-N -1 0 304.324 -0.078 20 0 DBADRM O=C([O-])[C@@H](NC(=O)c1nc2ncccn2n1)[C@H]1CCCOC1 ZINC000659145528 412081608 /nfs/dbraw/zinc/08/16/08/412081608.db2.gz FYLSPOVYTVWPIC-IUCAKERBSA-N -1 0 305.294 -0.266 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000659224594 412081701 /nfs/dbraw/zinc/08/17/01/412081701.db2.gz RZFWCYYPLQBKFG-ZJUUUORDSA-N -1 0 304.368 -0.409 20 0 DBADRM O=C([O-])C12CC(C1)CN2C(=O)Cn1nc2ccccn2c1=O ZINC000659177781 412081808 /nfs/dbraw/zinc/08/18/08/412081808.db2.gz FFHWXOHOHUFCNT-UHFFFAOYSA-N -1 0 302.290 -0.428 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)Cc1nnn(C(C)(C)C)n1 ZINC000659139139 412081848 /nfs/dbraw/zinc/08/18/48/412081848.db2.gz ORSKJNDOARUCQP-CYBMUJFWSA-N -1 0 313.358 -0.033 20 0 DBADRM COC[C@@H](OC)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000659143913 412081908 /nfs/dbraw/zinc/08/19/08/412081908.db2.gz QBCXROMMMSJNQO-GHMZBOCLSA-N -1 0 316.354 -0.571 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c1=O ZINC000659203745 412081984 /nfs/dbraw/zinc/08/19/84/412081984.db2.gz OSPLJIPBLMJTCN-UHFFFAOYSA-N -1 0 321.293 -0.246 20 0 DBADRM COC[C@@H](OC)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000659162586 412082004 /nfs/dbraw/zinc/08/20/04/412082004.db2.gz AOYMVPNUCIGKEU-GXSJLCMTSA-N -1 0 312.326 -0.199 20 0 DBADRM CN1CC[C@H](C(=O)NC[C@@H](CC(=O)[O-])C2CC2)S1(=O)=O ZINC000659206378 412082115 /nfs/dbraw/zinc/08/21/15/412082115.db2.gz DTPAUPYJGGCMNT-NXEZZACHSA-N -1 0 304.368 -0.363 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NC[C@@H]1CCCC(=O)N1)C2 ZINC000659402705 412086848 /nfs/dbraw/zinc/08/68/48/412086848.db2.gz FKAOKICJWONCNZ-ISTVAULSSA-N -1 0 311.338 -0.602 20 0 DBADRM C[C@]1(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCC(=O)N1 ZINC000659405752 412087013 /nfs/dbraw/zinc/08/70/13/412087013.db2.gz LQQHWVDAXFYJDH-OWYVNGRQSA-N -1 0 311.338 -0.602 20 0 DBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NC[C@@H](C)C(=O)[O-])C[C@H]21 ZINC000659410738 412087288 /nfs/dbraw/zinc/08/72/88/412087288.db2.gz GMGDTNLONASIGP-RGOKHQFPSA-N -1 0 320.367 -0.840 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000659409026 412087300 /nfs/dbraw/zinc/08/73/00/412087300.db2.gz XKPIVVWCFDJNNH-RKDXNWHRSA-N -1 0 322.383 -0.402 20 0 DBADRM CCN(C)C(=O)[C@H](C)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659401601 412087334 /nfs/dbraw/zinc/08/73/34/412087334.db2.gz NDQQDKUREINJFU-IMSIIYSGSA-N -1 0 313.354 -0.404 20 0 DBADRM Cn1ccc(CCNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659404214 412087398 /nfs/dbraw/zinc/08/73/98/412087398.db2.gz PUVGCHAMJBAHKV-QMTHXVAHSA-N -1 0 308.338 -0.295 20 0 DBADRM CN(C)C(=O)CCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659395124 412087737 /nfs/dbraw/zinc/08/77/37/412087737.db2.gz IYGNSQQCIBJNDL-QMTHXVAHSA-N -1 0 313.354 -0.403 20 0 DBADRM COC[C@H](CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)OC ZINC000659405212 412087769 /nfs/dbraw/zinc/08/77/69/412087769.db2.gz ZXAVDADEXZURAB-GBIKHYSHSA-N -1 0 302.327 -0.610 20 0 DBADRM CCOCCCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659644662 412096982 /nfs/dbraw/zinc/09/69/82/412096982.db2.gz QFJRZVNHCOLHMW-QMTHXVAHSA-N -1 0 314.338 -0.911 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCCCn2ccnc2)CCC1 ZINC000659643916 412097388 /nfs/dbraw/zinc/09/73/88/412097388.db2.gz ICLMPKQNXXWSJJ-UHFFFAOYSA-N -1 0 308.338 -0.240 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1ccoc1)C2 ZINC000659648672 412098323 /nfs/dbraw/zinc/09/83/23/412098323.db2.gz MCWZAEHSJKCYJE-QMTHXVAHSA-N -1 0 308.290 -0.545 20 0 DBADRM COC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])C1CCOCC1 ZINC000659655782 412098453 /nfs/dbraw/zinc/09/84/53/412098453.db2.gz LXWYTTRVYMVIOS-LLVKDONJSA-N -1 0 316.354 -0.475 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC000659650017 412098532 /nfs/dbraw/zinc/09/85/32/412098532.db2.gz SEZJKUDRTSMLSF-UHFFFAOYSA-N -1 0 306.322 -0.228 20 0 DBADRM CN1C[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)CCC1=O ZINC000659651237 412098553 /nfs/dbraw/zinc/09/85/53/412098553.db2.gz KLKGORRPFHNKKH-SECBINFHSA-N -1 0 311.338 -0.906 20 0 DBADRM CC1(C)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659651664 412098589 /nfs/dbraw/zinc/09/85/89/412098589.db2.gz OLRHJIPLLDIQHR-IQMDTDKHSA-N -1 0 310.350 -0.292 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])CS1(=O)=O ZINC000659655047 412098814 /nfs/dbraw/zinc/09/88/14/412098814.db2.gz FJDRVFHRCOTTQS-DTWKUNHWSA-N -1 0 320.367 -0.951 20 0 DBADRM Cc1c(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cnn1C ZINC000659652581 412098850 /nfs/dbraw/zinc/09/88/50/412098850.db2.gz WPVJZZGKVORKEG-UHFFFAOYSA-N -1 0 308.338 -0.284 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCSC1)C2 ZINC000659652534 412098894 /nfs/dbraw/zinc/09/88/94/412098894.db2.gz VKDDNEALYYDTFL-JRKPZEMJSA-N -1 0 314.363 -0.832 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])CS1(=O)=O ZINC000659655049 412098898 /nfs/dbraw/zinc/09/88/98/412098898.db2.gz FJDRVFHRCOTTQS-RKDXNWHRSA-N -1 0 320.367 -0.951 20 0 DBADRM C[C@H](NC(=O)C(=O)NCC1(C(=O)[O-])CCC1)c1cnn(C)c1 ZINC000659652269 412099114 /nfs/dbraw/zinc/09/91/14/412099114.db2.gz SWJQNECOTXAURJ-VIFPVBQESA-N -1 0 308.338 -0.032 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659651155 412099164 /nfs/dbraw/zinc/09/91/64/412099164.db2.gz RTAQSIPBJOAASJ-VIFPVBQESA-N -1 0 309.326 -0.846 20 0 DBADRM Cc1ccncc1CCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000659663390 412099896 /nfs/dbraw/zinc/09/98/96/412099896.db2.gz KYCUJBVOTJRRBG-LBPRGKRZSA-N -1 0 321.333 -0.639 20 0 DBADRM C[C@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])[C@@H]1CCO ZINC000659656490 412099949 /nfs/dbraw/zinc/09/99/49/412099949.db2.gz SAMQLKQZRWLWBS-WDEREUQCSA-N -1 0 300.355 -0.023 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)n1 ZINC000659663499 412099981 /nfs/dbraw/zinc/09/99/81/412099981.db2.gz ZXXVLYVOBAAAFG-LBPRGKRZSA-N -1 0 322.365 -0.083 20 0 DBADRM Cc1ccncc1CCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000659663389 412100015 /nfs/dbraw/zinc/10/00/15/412100015.db2.gz KYCUJBVOTJRRBG-GFCCVEGCSA-N -1 0 321.333 -0.639 20 0 DBADRM CO[C@H](C)CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000659664067 412100109 /nfs/dbraw/zinc/10/01/09/412100109.db2.gz OSOBEJHCEREOJP-SECBINFHSA-N -1 0 302.327 -0.865 20 0 DBADRM CCn1cc(CNC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)nn1 ZINC000659665865 412100364 /nfs/dbraw/zinc/10/03/64/412100364.db2.gz YLPCYNPLSGRKPM-JTQLQIEISA-N -1 0 323.353 -0.373 20 0 DBADRM COC[C@@H](CCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)OC ZINC000659661648 412100397 /nfs/dbraw/zinc/10/03/97/412100397.db2.gz VPXNHZWBHPXVOO-HBNTYKKESA-N -1 0 316.354 -0.476 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])[C@H]1CCO ZINC000659656486 412100459 /nfs/dbraw/zinc/10/04/59/412100459.db2.gz SAMQLKQZRWLWBS-MNOVXSKESA-N -1 0 300.355 -0.023 20 0 DBADRM C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)O1 ZINC000659663639 412100488 /nfs/dbraw/zinc/10/04/88/412100488.db2.gz HYWGKPGYCWETJX-OUAUKWLOSA-N -1 0 314.338 -0.628 20 0 DBADRM CC(C)NC(=O)[C@H]1CCCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC000659659846 412100638 /nfs/dbraw/zinc/10/06/38/412100638.db2.gz VNSVHWIMMMGHAS-JTQLQIEISA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)CO)C(=O)[O-] ZINC000659662067 412100728 /nfs/dbraw/zinc/10/07/28/412100728.db2.gz OZVGAVQIHBTDMJ-VWYCJHECSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@]1(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1(F)F ZINC000659665740 412100763 /nfs/dbraw/zinc/10/07/63/412100763.db2.gz SRZXXERZSPWKLF-PELKAZGASA-N -1 0 320.292 -0.150 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC000659670474 412101351 /nfs/dbraw/zinc/10/13/51/412101351.db2.gz KZIOYPGPJQJBHZ-UHFFFAOYSA-N -1 0 310.310 -0.292 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC(=O)N1C ZINC000659671374 412101355 /nfs/dbraw/zinc/10/13/55/412101355.db2.gz YMRFGEADIQCTLL-VIFPVBQESA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@@H]3COC[C@@H]3C2)CCC1 ZINC000659672060 412101591 /nfs/dbraw/zinc/10/15/91/412101591.db2.gz PAXILZAFLBUSCE-MNOVXSKESA-N -1 0 310.350 -0.148 20 0 DBADRM CCN1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1=O ZINC000659667475 412101698 /nfs/dbraw/zinc/10/16/98/412101698.db2.gz LKBNWDUCLPYAHF-UHFFFAOYSA-N -1 0 311.338 -0.952 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CCn1ccccc1=O)C2 ZINC000659778134 412122374 /nfs/dbraw/zinc/12/23/74/412122374.db2.gz CDLKNIUBHKZCLY-IAQYHMDHSA-N -1 0 306.318 -0.202 20 0 DBADRM CS(=O)(=O)NCCNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659751455 412122449 /nfs/dbraw/zinc/12/24/49/412122449.db2.gz JZCGJKJEYMBQBO-UHFFFAOYSA-N -1 0 316.335 -0.571 20 0 DBADRM CN1C(=O)CO[C@H](C(=O)NCCCC(=O)[O-])[C@H]1c1cccnc1 ZINC000659762618 412122496 /nfs/dbraw/zinc/12/24/96/412122496.db2.gz MNIQFQGVIDZABX-KGLIPLIRSA-N -1 0 321.333 -0.039 20 0 DBADRM O=C([O-])COc1cccc(C(=O)NCC(=O)N2CCOCC2)c1 ZINC000659758338 412122777 /nfs/dbraw/zinc/12/27/77/412122777.db2.gz QNVHOOJCXQVWOF-UHFFFAOYSA-N -1 0 322.317 -0.261 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N2CCN3C(=O)NC[C@H]3C2)c1 ZINC000659760999 412122888 /nfs/dbraw/zinc/12/28/88/412122888.db2.gz WIFRKOSZVIJOKR-NSHDSACASA-N -1 0 319.317 0.000 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659778334 412123163 /nfs/dbraw/zinc/12/31/63/412123163.db2.gz HFVIPADIWDBIRJ-XDMRBOTDSA-N -1 0 322.317 -0.043 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC000659763808 412123189 /nfs/dbraw/zinc/12/31/89/412123189.db2.gz JGTPJRMKJOJSKO-QWRGUYRKSA-N -1 0 323.353 -0.252 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)c2cnc(C(=O)[O-])cn2)CS1(=O)=O ZINC000659783374 412124414 /nfs/dbraw/zinc/12/44/14/412124414.db2.gz QDWGPTXHPVUMAL-HTQZYQBOSA-N -1 0 313.335 -0.130 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1C[C@H]3CCC[C@@H]3C1)C2 ZINC000662904455 412208612 /nfs/dbraw/zinc/20/86/12/412208612.db2.gz MRQIJIGXJUHWMV-DSZLRUIBSA-N -1 0 322.361 -0.196 20 0 DBADRM Cn1c(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)nc2c1c(=O)[nH]c(=O)n2C ZINC000662896107 412208795 /nfs/dbraw/zinc/20/87/95/412208795.db2.gz JXUGURMKOZNPLT-RRKCRQDMSA-N -1 0 323.309 -0.991 20 0 DBADRM CCN(CC1CC1)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662904399 412209146 /nfs/dbraw/zinc/20/91/46/412209146.db2.gz MBAPKTMZUAHKPD-IAQYHMDHSA-N -1 0 310.350 -0.196 20 0 DBADRM Cc1nc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)sc1S(N)(=O)=O ZINC000662895636 412209377 /nfs/dbraw/zinc/20/93/77/412209377.db2.gz DWJIVAWPRYXBSK-QYNIQEEDSA-N -1 0 321.380 -0.265 20 0 DBADRM NS(=O)(=O)c1cnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)s1 ZINC000662897855 412209538 /nfs/dbraw/zinc/20/95/38/412209538.db2.gz YNJGGGGDAIYPER-HSUXUTPPSA-N -1 0 307.353 -0.574 20 0 DBADRM CC1(C)CCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662904826 412210022 /nfs/dbraw/zinc/21/00/22/412210022.db2.gz SEQPFUJMLGOUOQ-MEBBXXQBSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1)C(=O)[O-] ZINC000662913039 412210717 /nfs/dbraw/zinc/21/07/17/412210717.db2.gz JKFYNDZNZWNICM-WDEREUQCSA-N -1 0 323.353 -0.694 20 0 DBADRM C[C@@H]1CC[C@@H](C)N1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662912786 412210830 /nfs/dbraw/zinc/21/08/30/412210830.db2.gz VYUSGEZWLLUUEW-UYUMYWFVSA-N -1 0 310.350 -0.055 20 0 DBADRM C[C@@H]1[C@@H](C)CCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662908756 412211257 /nfs/dbraw/zinc/21/12/57/412211257.db2.gz WXZVJFNMCKLHLH-MYQWFSQQSA-N -1 0 310.350 -0.197 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCc3nccnc3C2)C1 ZINC000662913076 412211432 /nfs/dbraw/zinc/21/14/32/412211432.db2.gz JRHDIWVQZOQSDX-SECBINFHSA-N -1 0 304.306 -0.706 20 0 DBADRM COc1ccc(CN(C)C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC000662910917 412211623 /nfs/dbraw/zinc/21/16/23/412211623.db2.gz ASYTYFUMJVUAKM-NSHDSACASA-N -1 0 321.333 -0.018 20 0 DBADRM CN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CCC1=O ZINC000662916963 412211998 /nfs/dbraw/zinc/21/19/98/412211998.db2.gz DKBAZBSPIPQLMK-SNVBAGLBSA-N -1 0 311.338 -1.000 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@H]3COC[C@H]3C2)CC1 ZINC000662915238 412212290 /nfs/dbraw/zinc/21/22/90/412212290.db2.gz XGZBIOPKPICFOB-NWDGAFQWSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2C[C@@H](CO)Oc3ccccc32)C1=O ZINC000662207033 412171362 /nfs/dbraw/zinc/17/13/62/412171362.db2.gz UPSLKUOEOKTEQT-CMPLNLGQSA-N -1 0 306.318 -0.068 20 0 DBADRM Cn1[n-]nnc1=NC[C@@]1(CO)COCCN1Cc1ccccc1 ZINC000664534611 412257861 /nfs/dbraw/zinc/25/78/61/412257861.db2.gz MIHBXMJUWNDFHW-OAHLLOKOSA-N -1 0 318.381 -0.693 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)Cc2cncc(O)c2)n1 ZINC000565844170 412274890 /nfs/dbraw/zinc/27/48/90/412274890.db2.gz SMECVOVMTGFAEU-UHFFFAOYSA-N -1 0 303.322 0.253 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000663020406 412223316 /nfs/dbraw/zinc/22/33/16/412223316.db2.gz AWHLULDYOBDXPX-JTQLQIEISA-N -1 0 319.383 -0.775 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)N1CCOC[C@H]1C(=O)[O-])n1cccn1 ZINC000663027303 412223859 /nfs/dbraw/zinc/22/38/59/412223859.db2.gz MKLHIYMBGOQZCY-MNOVXSKESA-N -1 0 324.337 -0.786 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)[C@](C)(OC)C(=O)[O-])CC1 ZINC000663041872 412223978 /nfs/dbraw/zinc/22/39/78/412223978.db2.gz OULRCPZQSBRECE-LBPRGKRZSA-N -1 0 322.383 -0.594 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000663022756 412224204 /nfs/dbraw/zinc/22/42/04/412224204.db2.gz NIMCWAHJEAICAV-ZETCQYMHSA-N -1 0 302.308 -0.218 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000663038835 412224254 /nfs/dbraw/zinc/22/42/54/412224254.db2.gz DLLCOAZSEMKVDB-HNNXBMFYSA-N -1 0 321.333 -0.144 20 0 DBADRM COCCn1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1=O ZINC000663026521 412224293 /nfs/dbraw/zinc/22/42/93/412224293.db2.gz IFUJEMBTUUPFEE-LLVKDONJSA-N -1 0 310.306 -0.580 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC000663047484 412224322 /nfs/dbraw/zinc/22/43/22/412224322.db2.gz DAOLNKOYRUHIBV-NXEZZACHSA-N -1 0 304.368 -0.363 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])co1 ZINC000663026373 412224344 /nfs/dbraw/zinc/22/43/44/412224344.db2.gz FNYINDKMCAQAEK-QMMMGPOBSA-N -1 0 318.307 -0.887 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC000663050571 412224364 /nfs/dbraw/zinc/22/43/64/412224364.db2.gz VHVVYBRMPJKALE-SNVBAGLBSA-N -1 0 316.379 -0.052 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@]2(c3ccccc3)CNC(=O)C2)CCO1 ZINC000663023610 412224369 /nfs/dbraw/zinc/22/43/69/412224369.db2.gz XEUORDIOWQETGE-LRDDRELGSA-N -1 0 318.329 -0.244 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])nn1 ZINC000663025624 412224391 /nfs/dbraw/zinc/22/43/91/412224391.db2.gz BVEUNCHTVADMBR-SNVBAGLBSA-N -1 0 324.337 -0.181 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NC1CCN(c2nccn2C)CC1 ZINC000663050810 412224414 /nfs/dbraw/zinc/22/44/14/412224414.db2.gz BJIDTJZODACDFQ-CQSZACIVSA-N -1 0 310.354 -0.005 20 0 DBADRM Cc1ccncc1CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000663053175 412225192 /nfs/dbraw/zinc/22/51/92/412225192.db2.gz AOVMGVLLVCFMFF-LLVKDONJSA-N -1 0 312.347 -0.357 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccccc1S(N)(=O)=O ZINC000663054519 412225197 /nfs/dbraw/zinc/22/51/97/412225197.db2.gz NLHKDFWYKYOAQK-GFCCVEGCSA-N -1 0 316.335 -0.560 20 0 DBADRM CC[C@@H](NC(=O)[C@](C)(OC)C(=O)[O-])C(=O)N1CCOCC1 ZINC000663062189 412225235 /nfs/dbraw/zinc/22/52/35/412225235.db2.gz KMWSESNMCABXAV-RNCFNFMXSA-N -1 0 302.327 -0.770 20 0 DBADRM CO[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C1CCC1 ZINC000663053837 412225528 /nfs/dbraw/zinc/22/55/28/412225528.db2.gz FUCBJTQVABGUGB-ZJUUUORDSA-N -1 0 305.352 -0.488 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC000663068877 412225546 /nfs/dbraw/zinc/22/55/46/412225546.db2.gz HGUMSPYJWKJPEI-ONGXEEELSA-N -1 0 318.395 -0.115 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)O1 ZINC000663059117 412225733 /nfs/dbraw/zinc/22/57/33/412225733.db2.gz BBSCIKPTBIRWLA-VXGBXAGGSA-N -1 0 322.317 -0.087 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC000663062981 412225739 /nfs/dbraw/zinc/22/57/39/412225739.db2.gz CKMGHXJAYRMGEO-SNVBAGLBSA-N -1 0 316.379 -0.052 20 0 DBADRM CNS(=O)(=O)CC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000663127114 412226371 /nfs/dbraw/zinc/22/63/71/412226371.db2.gz GPPYUVYOOUSBAQ-UHFFFAOYSA-N -1 0 304.328 -0.810 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000663096305 412226600 /nfs/dbraw/zinc/22/66/00/412226600.db2.gz KLJIKDCDRXVUOA-AUTRQRHGSA-N -1 0 307.368 -0.052 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000663088700 412226696 /nfs/dbraw/zinc/22/66/96/412226696.db2.gz MBKPVGRWMYZTKI-GFCCVEGCSA-N -1 0 304.368 -0.361 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000663120842 412226756 /nfs/dbraw/zinc/22/67/56/412226756.db2.gz UBKIQHAJKUBVJR-KXUCPTDWSA-N -1 0 319.383 -0.634 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)C3(C(=O)[O-])CC=CC3)CCN2C1=O ZINC000663089475 412226831 /nfs/dbraw/zinc/22/68/31/412226831.db2.gz OBKUFKZAHWARTF-JTQLQIEISA-N -1 0 321.333 -0.098 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000663092901 412226874 /nfs/dbraw/zinc/22/68/74/412226874.db2.gz SZUBPOIWMXXYNT-SNVBAGLBSA-N -1 0 306.384 -0.067 20 0 DBADRM O=C([O-])[C@H](C(=O)NCCCn1nc2n(c1=O)CCCC2)C1CC1 ZINC000663087121 412226912 /nfs/dbraw/zinc/22/69/12/412226912.db2.gz TTYYRNBUQZUSMU-LBPRGKRZSA-N -1 0 322.365 -0.002 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000663120909 412226980 /nfs/dbraw/zinc/22/69/80/412226980.db2.gz BRPZOVRDWXQZJQ-PSASIEDQSA-N -1 0 306.384 -0.070 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)[C@@]3(C(=O)[O-])CC3(C)C)CCN2C1=O ZINC000663088608 412226994 /nfs/dbraw/zinc/22/69/94/412226994.db2.gz JMKJGDICZXUSFK-RFAUZJTJSA-N -1 0 323.349 -0.018 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000663144486 412227383 /nfs/dbraw/zinc/22/73/83/412227383.db2.gz DETJKKJDRRBUSX-UHFFFAOYSA-N -1 0 318.355 -0.376 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000663127563 412227413 /nfs/dbraw/zinc/22/74/13/412227413.db2.gz NZBQXVIGTAXVHM-ZJUUUORDSA-N -1 0 314.319 -0.678 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000663132738 412227454 /nfs/dbraw/zinc/22/74/54/412227454.db2.gz YJWUCEBHVYNYGB-NSHDSACASA-N -1 0 308.356 -0.936 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000663127510 412227469 /nfs/dbraw/zinc/22/74/69/412227469.db2.gz MKWIIUWJDMTOQL-IUCAKERBSA-N -1 0 307.368 -0.194 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1cnn3ncccc13)C2 ZINC000663129521 412227649 /nfs/dbraw/zinc/22/76/49/412227649.db2.gz NAESCLGYOKGNOR-YMTOWFKASA-N -1 0 302.290 -0.098 20 0 DBADRM Cc1cnc2nc(C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)nn2c1 ZINC000663129615 412227678 /nfs/dbraw/zinc/22/76/78/412227678.db2.gz NVUMYWFXWGDSRK-YMTOWFKASA-N -1 0 317.305 -0.394 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000663132151 412227830 /nfs/dbraw/zinc/22/78/30/412227830.db2.gz VTRCDOZXWFYCBF-AWEZNQCLSA-N -1 0 308.290 -0.476 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000663127464 412227966 /nfs/dbraw/zinc/22/79/66/412227966.db2.gz LXIRKNBHDWYCQF-AXFHLTTASA-N -1 0 319.379 -0.194 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)Cc1nc3ncccn3n1)C2 ZINC000663130839 412228030 /nfs/dbraw/zinc/22/80/30/412228030.db2.gz PIVKWRRNIWSBLE-YMTOWFKASA-N -1 0 317.305 -0.774 20 0 DBADRM CN1CC(=O)N(CC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)C1=O ZINC000663127539 412228052 /nfs/dbraw/zinc/22/80/52/412228052.db2.gz NLPNIZAMWCHKLG-UHFFFAOYSA-N -1 0 323.309 -0.465 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000663127875 412228078 /nfs/dbraw/zinc/22/80/78/412228078.db2.gz UVTRFWITEARRPQ-SXMVTHIZSA-N -1 0 305.352 -0.585 20 0 DBADRM Cn1cnn(CC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c1=O ZINC000663128126 412228102 /nfs/dbraw/zinc/22/81/02/412228102.db2.gz DLQBMHWEIJSTAB-UHFFFAOYSA-N -1 0 308.298 -0.763 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000663127507 412228129 /nfs/dbraw/zinc/22/81/29/412228129.db2.gz MKWIIUWJDMTOQL-BDAKNGLRSA-N -1 0 307.368 -0.194 20 0 DBADRM COc1ccc(O[C@H]2CCN(CC(=O)[O-])C2=O)c(C(N)=O)c1 ZINC000663220429 412228635 /nfs/dbraw/zinc/22/86/35/412228635.db2.gz RDYYUWJYZPAVEY-NSHDSACASA-N -1 0 308.290 -0.142 20 0 DBADRM CCn1ncc2c1ncn([C@@H]1CCN(CC(=O)[O-])C1=O)c2=O ZINC000663220353 412228867 /nfs/dbraw/zinc/22/88/67/412228867.db2.gz QMGPRXSBELKRGJ-SECBINFHSA-N -1 0 305.294 -0.529 20 0 DBADRM Cn1cnn(CC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c1=O ZINC000663147155 412228921 /nfs/dbraw/zinc/22/89/21/412228921.db2.gz JZVWAWGQHJIBCR-ZDUSSCGKSA-N -1 0 316.317 -0.208 20 0 DBADRM O=C([O-])CN1CC[C@@H](n2c(=O)onc2-c2cccnc2)C1=O ZINC000663220648 412228931 /nfs/dbraw/zinc/22/89/31/412228931.db2.gz SXQKXBBHCALYKQ-SECBINFHSA-N -1 0 304.262 -0.244 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2C(=O)NC3(CCCCC3)C2=O)C1=O ZINC000663218282 412228965 /nfs/dbraw/zinc/22/89/65/412228965.db2.gz BPTIEKNHFWOUPF-SECBINFHSA-N -1 0 309.322 -0.073 20 0 DBADRM O=C([O-])CN1CC[C@@H](n2c(=O)onc2-c2ccccn2)C1=O ZINC000663219362 412229311 /nfs/dbraw/zinc/22/93/11/412229311.db2.gz IGUDXXAWVVQISY-SECBINFHSA-N -1 0 304.262 -0.244 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000663286695 412230423 /nfs/dbraw/zinc/23/04/23/412230423.db2.gz UBCYEAIRAPCBSV-ZETCQYMHSA-N -1 0 320.298 -0.559 20 0 DBADRM CCc1nc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cn1CC1CC1 ZINC000663285957 412230532 /nfs/dbraw/zinc/23/05/32/412230532.db2.gz MSOMKDWRVMWXGZ-SECBINFHSA-N -1 0 317.367 -0.421 20 0 DBADRM COc1cc(F)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000663287604 412231123 /nfs/dbraw/zinc/23/11/23/412231123.db2.gz RKICTDWMURZJNH-QUBYGPBYSA-N -1 0 307.299 -0.053 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC2(CCC2)[C@@H]1C(=O)[O-] ZINC000663287839 412231130 /nfs/dbraw/zinc/23/11/30/412231130.db2.gz LBZSJMHHZDLKDX-BDAKNGLRSA-N -1 0 304.368 -0.268 20 0 DBADRM CCOCCS(=O)(=O)N1CC2(CCOCC2)[C@@H]1C(=O)[O-] ZINC000663286707 412231248 /nfs/dbraw/zinc/23/12/48/412231248.db2.gz FCMDZSRZYKSFCR-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000663430561 412232344 /nfs/dbraw/zinc/23/23/44/412232344.db2.gz SZPXOAXEFJZOTP-VXGBXAGGSA-N -1 0 318.395 -0.004 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@H]3COC[C@@H]3C2)cn1 ZINC000663442550 412232413 /nfs/dbraw/zinc/23/24/13/412232413.db2.gz BLYOPNUMHHTXTF-UWVGGRQHSA-N -1 0 315.351 -0.375 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCS(=O)(=O)CC2)oc1C(=O)[O-] ZINC000663423544 412232571 /nfs/dbraw/zinc/23/25/71/412232571.db2.gz VWQVJNMYXOORER-UHFFFAOYSA-N -1 0 323.348 -0.295 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)cn1 ZINC000663622680 412236346 /nfs/dbraw/zinc/23/63/46/412236346.db2.gz XJDPORXUAMRTHW-LBPRGKRZSA-N -1 0 322.365 -0.304 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCCOCCF)C[C@H]1C(=O)[O-] ZINC000663628546 412236418 /nfs/dbraw/zinc/23/64/18/412236418.db2.gz DCSJJXXMGCBHMT-NXEZZACHSA-N -1 0 304.318 -0.342 20 0 DBADRM Cn1nccc1CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663621143 412236612 /nfs/dbraw/zinc/23/66/12/412236612.db2.gz PIGKCUDOCZQITD-NSHDSACASA-N -1 0 308.338 -0.347 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N1CCO[C@](C)(C(F)F)C1)C(=O)[O-] ZINC000663629917 412236622 /nfs/dbraw/zinc/23/66/22/412236622.db2.gz NQFVRNYKABPIQC-MADCSZMMSA-N -1 0 308.281 -0.294 20 0 DBADRM CN(Cc1nccn1C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663634681 412236790 /nfs/dbraw/zinc/23/67/90/412236790.db2.gz HJBBOQLRVVZSJI-LLVKDONJSA-N -1 0 322.365 -0.004 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCN(C2CC2)CC1)C1CCC1 ZINC000663634357 412236890 /nfs/dbraw/zinc/23/68/90/412236890.db2.gz JUHFIJPJKHVJMM-ZDUSSCGKSA-N -1 0 323.393 -0.090 20 0 DBADRM O=C(CN1CCOC[C@@H]1C(=O)[O-])NCCOc1ccccc1 ZINC000316274259 412236959 /nfs/dbraw/zinc/23/69/59/412236959.db2.gz XIPRDMKGEKQMST-CYBMUJFWSA-N -1 0 308.334 -0.033 20 0 DBADRM Cn1cnc(CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)c1 ZINC000663628903 412237084 /nfs/dbraw/zinc/23/70/84/412237084.db2.gz PFLVSVFJCTUWAC-LBPRGKRZSA-N -1 0 322.365 -0.304 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)n1 ZINC000663624177 412237209 /nfs/dbraw/zinc/23/72/09/412237209.db2.gz OVSFZPFNFVUEDC-JTQLQIEISA-N -1 0 324.337 -0.346 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CCO1 ZINC000665323001 412308603 /nfs/dbraw/zinc/30/86/03/412308603.db2.gz SHZNFXSESDBDDD-WDEREUQCSA-N -1 0 313.354 -0.356 20 0 DBADRM CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000362608177 412311758 /nfs/dbraw/zinc/31/17/58/412311758.db2.gz HXMXNKUHGQTARR-JTQLQIEISA-N -1 0 308.338 0.553 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)Nc2cccnn2)C1=O ZINC000417771572 412344181 /nfs/dbraw/zinc/34/41/81/412344181.db2.gz XFFJROCJFCJLAZ-KOLCDFICSA-N -1 0 321.337 0.308 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)Nc2ccn(C)n2)C1=O ZINC000417755871 412344367 /nfs/dbraw/zinc/34/43/67/412344367.db2.gz MCRCWVHUVXTKFP-KOLCDFICSA-N -1 0 323.353 0.252 20 0 DBADRM CNc1nc(C)cc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])n1 ZINC000576465210 412347210 /nfs/dbraw/zinc/34/72/10/412347210.db2.gz YVWBGUONYYBZLZ-SECBINFHSA-N -1 0 323.353 -0.122 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2nccn3cnnc23)C1=O ZINC000416447886 412350142 /nfs/dbraw/zinc/35/01/42/412350142.db2.gz SKMLDSMMVJLTJU-VHSXEESVSA-N -1 0 318.337 0.246 20 0 DBADRM CC(C)[C@H](Nc1cnc(C(=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000416410813 412350163 /nfs/dbraw/zinc/35/01/63/412350163.db2.gz HFDNQABHDHKOHK-LBPRGKRZSA-N -1 0 308.338 0.470 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)Nc2ccn(C)n2)C1=O ZINC000417755873 412350219 /nfs/dbraw/zinc/35/02/19/412350219.db2.gz MCRCWVHUVXTKFP-MWLCHTKSSA-N -1 0 323.353 0.252 20 0 DBADRM Cc1cc(C)n2nc(NC(=O)c3c(=O)[nH][n-]c3C3CC3)nc2n1 ZINC000578313474 412350415 /nfs/dbraw/zinc/35/04/15/412350415.db2.gz BEFYBANEDQHDTL-VIFPVBQESA-N -1 0 313.321 0.192 20 0 DBADRM CNc1nnc(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)s1 ZINC000546832545 412352205 /nfs/dbraw/zinc/35/22/05/412352205.db2.gz LIWDNUMJUUKGJH-ZETCQYMHSA-N -1 0 308.371 0.042 20 0 DBADRM COC(=O)C(C)(C)n1ccc(NC(=O)CSCC(=O)[O-])n1 ZINC000595277420 412355845 /nfs/dbraw/zinc/35/58/45/412355845.db2.gz HVDKFXZKNCPRSM-UHFFFAOYSA-N -1 0 315.351 0.548 20 0 DBADRM CN(C)c1ccnc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000338111190 412297421 /nfs/dbraw/zinc/29/74/21/412297421.db2.gz DULFIOKCUVINJQ-UHFFFAOYSA-N -1 0 310.339 -0.079 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000431651714 412301591 /nfs/dbraw/zinc/30/15/91/412301591.db2.gz NCTJWOCUFWUXQN-QMMMGPOBSA-N -1 0 306.278 0.318 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)NCCN1C(=O)CNC1=O)C1CCC1 ZINC000665304427 412304368 /nfs/dbraw/zinc/30/43/68/412304368.db2.gz ACMKYVAZODBCSO-VIFPVBQESA-N -1 0 312.326 -0.662 20 0 DBADRM CCOC(=O)c1cn(C)nc1NC(=O)NCc1n[nH]c(=O)[n-]1 ZINC000345112089 412435132 /nfs/dbraw/zinc/43/51/32/412435132.db2.gz IXFGYVQPXFGVSB-UHFFFAOYSA-N -1 0 309.286 -0.258 20 0 DBADRM COCCn1cc(S(=O)(=O)[N-]c2cncc(OC)n2)cn1 ZINC000573569059 412402256 /nfs/dbraw/zinc/40/22/56/412402256.db2.gz IKHIPZKNLWJWBX-UHFFFAOYSA-N -1 0 313.339 0.129 20 0 DBADRM O=C([O-])CCNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000566225048 412417876 /nfs/dbraw/zinc/41/78/76/412417876.db2.gz QPQPJKAYSACVNF-UHFFFAOYSA-N -1 0 321.293 -0.027 20 0 DBADRM CO[C@@H](C)c1nc(=NC(=O)Nc2ccn(CCO)n2)s[n-]1 ZINC000564369471 412419280 /nfs/dbraw/zinc/41/92/80/412419280.db2.gz JYVHKOMXWWQPCG-ZETCQYMHSA-N -1 0 312.355 0.500 20 0 DBADRM COc1cc(C(=O)Nc2ccn(CCN3CCOCC3)n2)on1 ZINC000547308531 412428544 /nfs/dbraw/zinc/42/85/44/412428544.db2.gz WDBKTABQSZQBRC-UHFFFAOYSA-N -1 0 321.337 0.464 20 0 DBADRM CN(C)c1nc(N)nc(CS(=O)(=O)c2nc3c([nH]2)CCC3)n1 ZINC000427069303 412489015 /nfs/dbraw/zinc/48/90/15/412489015.db2.gz JGZBEGGLNKFSML-UHFFFAOYSA-N -1 0 323.382 -0.295 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNc1ccc(C(=O)[O-])nn1 ZINC000563204731 412458811 /nfs/dbraw/zinc/45/88/11/412458811.db2.gz OELJOUAIBVYPHH-MRVPVSSYSA-N -1 0 300.340 0.011 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNc2ncncc2C(=O)[O-])C1 ZINC000580835932 412459165 /nfs/dbraw/zinc/45/91/65/412459165.db2.gz QKXFGVLNXGZAHX-MRVPVSSYSA-N -1 0 300.340 -0.132 20 0 DBADRM CS(=O)(=O)c1nnc(NC(=O)c2nc3cccnc3s2)[n-]1 ZINC000352794061 412459710 /nfs/dbraw/zinc/45/97/10/412459710.db2.gz FBOVMAMXCRMDDW-UHFFFAOYSA-N -1 0 324.347 0.465 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1ncncc1C(=O)[O-] ZINC000579838326 412459998 /nfs/dbraw/zinc/45/99/98/412459998.db2.gz QTNFJOUWZOIHOE-WCBMZHEXSA-N -1 0 314.367 0.305 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000362609467 412460662 /nfs/dbraw/zinc/46/06/62/412460662.db2.gz SASOAZGDRXSUKV-UHFFFAOYSA-N -1 0 305.294 0.139 20 0 DBADRM C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000431651713 412467558 /nfs/dbraw/zinc/46/75/58/412467558.db2.gz NCTJWOCUFWUXQN-MRVPVSSYSA-N -1 0 306.278 0.318 20 0 DBADRM Cn1nncc1S(=O)(=O)NCc1ccccc1CC(=O)[O-] ZINC000650400749 418942782 /nfs/dbraw/zinc/94/27/82/418942782.db2.gz MFVVUFYWWAFKDK-UHFFFAOYSA-N -1 0 310.335 -0.079 20 0 DBADRM C[C@@H](OC(C)(C)C)[C@H](NS(=O)(=O)c1cnnn1C)C(=O)[O-] ZINC000650419445 418943188 /nfs/dbraw/zinc/94/31/88/418943188.db2.gz POFSJZAPZUTJAZ-APPZFPTMSA-N -1 0 320.371 -0.250 20 0 DBADRM COCCCS(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000650428381 418943463 /nfs/dbraw/zinc/94/34/63/418943463.db2.gz KHOIMBZZQLHIKT-SECBINFHSA-N -1 0 303.340 -0.572 20 0 DBADRM COC(C)(C)CS(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000650428220 418943527 /nfs/dbraw/zinc/94/35/27/418943527.db2.gz GKDXYNNJWYDTLE-SECBINFHSA-N -1 0 317.367 -0.183 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000650448531 418946530 /nfs/dbraw/zinc/94/65/30/418946530.db2.gz BGEWPMBMWAXYME-WDEREUQCSA-N -1 0 306.384 -0.148 20 0 DBADRM Cc1c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cnn1C ZINC000650446256 418946653 /nfs/dbraw/zinc/94/66/53/418946653.db2.gz QGCSIVBSVUMWON-VXNVDRBHSA-N -1 0 303.340 -0.409 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)c1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC000663060881 418946906 /nfs/dbraw/zinc/94/69/06/418946906.db2.gz PYJAYFHRIZAVOV-MRVPVSSYSA-N -1 0 307.314 -0.283 20 0 DBADRM CC[C@H](NC(=O)[C@@](C)(OC)C(=O)[O-])C(=O)N1CCOCC1 ZINC000663062190 418946978 /nfs/dbraw/zinc/94/69/78/418946978.db2.gz KMWSESNMCABXAV-TVQRCGJNSA-N -1 0 302.327 -0.770 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)c1cc(=O)n(C)[n-]1 ZINC000666384267 418947591 /nfs/dbraw/zinc/94/75/91/418947591.db2.gz HMFHGGVYNRGPNW-UHFFFAOYSA-N -1 0 304.372 -0.473 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccc(-n2cnnn2)cn1 ZINC000655533739 418952321 /nfs/dbraw/zinc/95/23/21/418952321.db2.gz NPJXZFPLTYWKPS-UHFFFAOYSA-N -1 0 306.282 -0.770 20 0 DBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000666007304 418963751 /nfs/dbraw/zinc/96/37/51/418963751.db2.gz CGNIHQHOWKUGAY-LLVKDONJSA-N -1 0 323.397 -0.202 20 0 DBADRM CC(C)(C)N1C[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1=O ZINC000666534688 418983548 /nfs/dbraw/zinc/98/35/48/418983548.db2.gz OJBWEMVNWAITGU-ZJUUUORDSA-N -1 0 313.354 -0.119 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1=O ZINC000666534621 418983971 /nfs/dbraw/zinc/98/39/71/418983971.db2.gz MDKLBUALMRSRCY-VPOLOUISSA-N -1 0 311.338 -0.509 20 0 DBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)s1 ZINC000666975294 418989182 /nfs/dbraw/zinc/98/91/82/418989182.db2.gz LZJSGFGXBUEMQJ-FMCRUOTFSA-N -1 0 304.353 -0.260 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2CCCC[C@H]2CC(=O)[O-])c1=O ZINC000314699419 544419444 /nfs/dbraw/zinc/41/94/44/544419444.db2.gz JNUDDYVWYSLBSN-JTQLQIEISA-N -1 0 309.322 -0.597 20 0 DBADRM O=C([O-])C1(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000668299505 544425251 /nfs/dbraw/zinc/42/52/51/544425251.db2.gz IHJFRLSQPWLPFQ-JTQLQIEISA-N -1 0 316.379 -0.122 20 0 DBADRM CN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@H]1CCOC1 ZINC000668402314 544433961 /nfs/dbraw/zinc/43/39/61/544433961.db2.gz LUFWDNAJEFPNCW-QMMMGPOBSA-N -1 0 300.336 -0.100 20 0 DBADRM CCn1cnc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC000129500973 544434802 /nfs/dbraw/zinc/43/48/02/544434802.db2.gz QHRSCTLIRUVYED-SECBINFHSA-N -1 0 303.340 -0.233 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000650429592 544448544 /nfs/dbraw/zinc/44/85/44/544448544.db2.gz QILQJVZNXLNTBK-MRVPVSSYSA-N -1 0 311.323 -0.518 20 0 DBADRM CN(C1CC1)S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000650429797 544448548 /nfs/dbraw/zinc/44/85/48/544448548.db2.gz XMBVQRVQTCDNEO-SECBINFHSA-N -1 0 300.340 -0.599 20 0 DBADRM CS(=O)(=O)NCCNC(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000080990848 544491809 /nfs/dbraw/zinc/49/18/09/544491809.db2.gz PAZPMCSYDSXEDS-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM O=c1nc2[nH]cc(S(=O)(=O)NC3CC=CC3)cc-2c(=O)[n-]1 ZINC000132130674 544492085 /nfs/dbraw/zinc/49/20/85/544492085.db2.gz GSMNEFFEZABRMM-UHFFFAOYSA-N -1 0 308.319 -0.392 20 0 DBADRM Cc1nc(S(=O)(=O)NCCN2C(=O)CCC2=O)cn1C ZINC000329482356 544483004 /nfs/dbraw/zinc/48/30/04/544483004.db2.gz DTHBMWCRONBERL-UHFFFAOYSA-N -1 0 300.340 -0.844 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC000653290029 544502910 /nfs/dbraw/zinc/50/29/10/544502910.db2.gz HMMQHUWEQDTDBS-QWRGUYRKSA-N -1 0 322.365 -0.050 20 0 DBADRM CN1CC[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1=O ZINC000669006611 544518818 /nfs/dbraw/zinc/51/88/18/544518818.db2.gz MMPTUOWKONARHL-VIFPVBQESA-N -1 0 313.335 -1.000 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000669131214 544529873 /nfs/dbraw/zinc/52/98/73/544529873.db2.gz MMZFZFHQFBWENG-LURJTMIESA-N -1 0 301.324 -0.967 20 0 DBADRM CNS(=O)(=O)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000231019158 544574445 /nfs/dbraw/zinc/57/44/45/544574445.db2.gz SUBMOHJPRFFVGQ-JTQLQIEISA-N -1 0 323.415 -0.028 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])cc1C(N)=O ZINC000085326469 544573518 /nfs/dbraw/zinc/57/35/18/544573518.db2.gz XJYQOXCWYBLMQZ-DTWKUNHWSA-N -1 0 315.351 -0.344 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000087480128 544581095 /nfs/dbraw/zinc/58/10/95/544581095.db2.gz CLCSJSOSQDGAHX-UWVGGRQHSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@@H](NC(=O)CCc1ccccc1)C(=O)NCc1nnn[n-]1 ZINC000669603678 544585371 /nfs/dbraw/zinc/58/53/71/544585371.db2.gz GGYZKOZAKZBHOU-SNVBAGLBSA-N -1 0 302.338 -0.047 20 0 DBADRM COC[C@@H](CNC(=O)NCC1(C(=O)[O-])CCOCC1)OC ZINC000234721987 544591186 /nfs/dbraw/zinc/59/11/86/544591186.db2.gz BZYPQFADUYPNRY-SNVBAGLBSA-N -1 0 304.343 -0.172 20 0 DBADRM CC(C)(CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)S(C)(=O)=O ZINC000093523999 544607828 /nfs/dbraw/zinc/60/78/28/544607828.db2.gz BIXBITKGEPPPEH-UHFFFAOYSA-N -1 0 324.380 -0.186 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cnc2sccn2c1=O ZINC000049606363 544621175 /nfs/dbraw/zinc/62/11/75/544621175.db2.gz BWVFOMBKQLVYHZ-UHFFFAOYSA-N -1 0 311.319 -0.071 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cnc2n(c1=O)CCS2 ZINC000049606721 544621278 /nfs/dbraw/zinc/62/12/78/544621278.db2.gz NNAXTGJFNICNJL-UHFFFAOYSA-N -1 0 313.335 -0.478 20 0 DBADRM C[C@@H](CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400106235 544635941 /nfs/dbraw/zinc/63/59/41/544635941.db2.gz CWFOKIJOMKMAKE-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM CC(C)[C@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000111774681 544679974 /nfs/dbraw/zinc/67/99/74/544679974.db2.gz BXNPVTBPIXVMOZ-QMMMGPOBSA-N -1 0 309.388 -0.277 20 0 DBADRM CC(C)(CNC(=O)N1CCCC[C@H]1C(=O)[O-])NS(C)(=O)=O ZINC000111774773 544680079 /nfs/dbraw/zinc/68/00/79/544680079.db2.gz MDSIODFORBRTNS-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000682521396 544643378 /nfs/dbraw/zinc/64/33/78/544643378.db2.gz KPNCIMIRMMMQON-ZJUUUORDSA-N -1 0 320.367 -0.888 20 0 DBADRM CN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000313982518 544726113 /nfs/dbraw/zinc/72/61/13/544726113.db2.gz MLNSVGWNNQKTIK-LPEHRKFASA-N -1 0 320.367 -0.889 20 0 DBADRM COCCn1cc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)cn1 ZINC000671661300 544728335 /nfs/dbraw/zinc/72/83/35/544728335.db2.gz JLRPSBYADHDHPA-UHFFFAOYSA-N -1 0 314.327 -0.848 20 0 DBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000681555750 544693307 /nfs/dbraw/zinc/69/33/07/544693307.db2.gz IWKYRCGFJWBOGG-XCBNKYQSSA-N -1 0 319.383 -0.343 20 0 DBADRM NC(=O)C[C@H](NS(=O)(=O)C1Cc2ccccc2C1)C(=O)[O-] ZINC000681556045 544693935 /nfs/dbraw/zinc/69/39/35/544693935.db2.gz SRPKOTZKGYWDFR-NSHDSACASA-N -1 0 312.347 -0.598 20 0 DBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N(CCO)CCC(=O)[O-])C1 ZINC000681585397 544694660 /nfs/dbraw/zinc/69/46/60/544694660.db2.gz UPWIGEZKYHQNFJ-PHIMTYICSA-N -1 0 308.400 -0.022 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2cccc(OCC(=O)[O-])c2)CCO1 ZINC000262239854 544696041 /nfs/dbraw/zinc/69/60/41/544696041.db2.gz ZRDYRDNBXPDVTI-LLVKDONJSA-N -1 0 308.290 -0.524 20 0 DBADRM O=C([O-])C1(NC(=O)Cn2nc3ccccn3c2=O)CCOCC1 ZINC000391450539 544700973 /nfs/dbraw/zinc/70/09/73/544700973.db2.gz PSTIAGQAYHCRRT-UHFFFAOYSA-N -1 0 320.305 -0.754 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1n[nH]c(=O)[n-]1 ZINC000673928665 544702732 /nfs/dbraw/zinc/70/27/32/544702732.db2.gz QVFDNVSXFHACOM-OCAPTIKFSA-N -1 0 307.310 -0.698 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000668059688 544756020 /nfs/dbraw/zinc/75/60/20/544756020.db2.gz VEVOGXVBXAAPSN-LLVKDONJSA-N -1 0 308.338 -0.031 20 0 DBADRM CC(C)(CNC(=O)c1cc(C(=O)[O-])ccn1)NS(C)(=O)=O ZINC000668147937 544756531 /nfs/dbraw/zinc/75/65/31/544756531.db2.gz IICUFOUOMHRYRX-UHFFFAOYSA-N -1 0 315.351 -0.163 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)c1[O-] ZINC000672076953 544763565 /nfs/dbraw/zinc/76/35/65/544763565.db2.gz HMWIDUTWTRRVDR-VIFPVBQESA-N -1 0 316.383 -0.080 20 0 DBADRM Cn1[n-]c(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1=O ZINC000667172081 544737412 /nfs/dbraw/zinc/73/74/12/544737412.db2.gz AELAYBQOFKJQNG-QMMMGPOBSA-N -1 0 302.356 -0.721 20 0 DBADRM C[C@H]1C(=O)Nc2cc(C(=O)NCc3nnn[n-]3)ccc2N1C ZINC000674241957 544822033 /nfs/dbraw/zinc/82/20/33/544822033.db2.gz HPPRBQHMFWFLSP-ZETCQYMHSA-N -1 0 301.310 -0.094 20 0 DBADRM CNS(=O)(=O)CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000674388657 544825247 /nfs/dbraw/zinc/82/52/47/544825247.db2.gz OBENPGDUESNWCB-UHFFFAOYSA-N -1 0 312.307 -0.482 20 0 DBADRM CN(C)c1nc(CNC(=O)c2cnc([O-])n(C)c2=O)cs1 ZINC000674388427 544826059 /nfs/dbraw/zinc/82/60/59/544826059.db2.gz IDFGGJZCUSIOAC-UHFFFAOYSA-N -1 0 309.351 -0.062 20 0 DBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cccc(OCCF)c1 ZINC000675403969 544846942 /nfs/dbraw/zinc/84/69/42/544846942.db2.gz OXLASLKVFSDUKW-UHFFFAOYSA-N -1 0 308.273 -0.197 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000675989124 544855619 /nfs/dbraw/zinc/85/56/19/544855619.db2.gz FYHDOAAIVXEDOY-QMMMGPOBSA-N -1 0 300.336 -0.192 20 0 DBADRM NC(=O)COc1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000675567418 544850063 /nfs/dbraw/zinc/85/00/63/544850063.db2.gz YPYYDVJUPAPZNY-UHFFFAOYSA-N -1 0 306.282 -0.304 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000675998960 544856344 /nfs/dbraw/zinc/85/63/44/544856344.db2.gz XACOQPJOMCQIPX-OUAUKWLOSA-N -1 0 324.333 -0.526 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)Nc2nc(CC(=O)[O-])cs2)c1=O ZINC000675945107 544854729 /nfs/dbraw/zinc/85/47/29/544854729.db2.gz KKJXNCGHISOUHE-UHFFFAOYSA-N -1 0 310.291 -0.178 20 0 DBADRM C[C@@]1(c2cccc(C(=O)NCc3nnn[n-]3)c2)NC(=O)NC1=O ZINC000676171895 544858646 /nfs/dbraw/zinc/85/86/46/544858646.db2.gz BNUSQHZRPPILHK-ZDUSSCGKSA-N -1 0 315.293 -0.816 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)C(C)C ZINC000676215913 544859574 /nfs/dbraw/zinc/85/95/74/544859574.db2.gz RDSFVFRGVPLWDT-KOLCDFICSA-N -1 0 302.327 -0.914 20 0 DBADRM Cc1ccc2ncc(C(=O)N3CCO[C@H](C(=O)[O-])C3)c(=O)n2c1 ZINC000676214497 544859610 /nfs/dbraw/zinc/85/96/10/544859610.db2.gz SORIHEDOBQXILM-NSHDSACASA-N -1 0 317.301 -0.071 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccc(=O)n(CCOC)c1 ZINC000676208076 544860084 /nfs/dbraw/zinc/86/00/84/544860084.db2.gz HXWNHJNZSYGWGU-UHFFFAOYSA-N -1 0 312.322 -0.332 20 0 DBADRM CCNC(=O)NC1(C(=O)N2CCO[C@H](C(=O)[O-])C2)CCCC1 ZINC000676215534 544860131 /nfs/dbraw/zinc/86/01/31/544860131.db2.gz YJWZGRPLUQRTJU-JTQLQIEISA-N -1 0 313.354 -0.070 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1[O-] ZINC000676687822 544875746 /nfs/dbraw/zinc/87/57/46/544875746.db2.gz CCDQUZMAQYLVJA-JTQLQIEISA-N -1 0 321.381 -0.151 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1n[nH]c(C)c1[O-] ZINC000676699149 544875854 /nfs/dbraw/zinc/87/58/54/544875854.db2.gz CNKBVXXQUAKYIP-MRVPVSSYSA-N -1 0 302.356 -0.422 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)c1[O-] ZINC000676630157 544873553 /nfs/dbraw/zinc/87/35/53/544873553.db2.gz BEWRPXSUUCWKAG-UHFFFAOYSA-N -1 0 309.370 -0.294 20 0 DBADRM CC(=O)N1CCN(C(=O)CCNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC000676631070 544873739 /nfs/dbraw/zinc/87/37/39/544873739.db2.gz LETQAYNIUNQVFG-UHFFFAOYSA-N -1 0 323.353 -0.766 20 0 DBADRM O=C(NCCc1cn2ccccc2n1)c1n[nH]c(=O)[n-]c1=O ZINC000677948822 544902642 /nfs/dbraw/zinc/90/26/42/544902642.db2.gz CYZJBIYKNDOSEL-UHFFFAOYSA-N -1 0 300.278 -0.097 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)CC(F)(F)F ZINC000677948375 544902773 /nfs/dbraw/zinc/90/27/73/544902773.db2.gz QTQXPFBVPLHKEO-UHFFFAOYSA-N -1 0 309.248 -0.103 20 0 DBADRM O=C(NCCc1ccc2c(c1)OCO2)c1n[nH]c(=O)[n-]c1=O ZINC000677948406 544903151 /nfs/dbraw/zinc/90/31/51/544903151.db2.gz VCHHZWMJAUXELT-UHFFFAOYSA-N -1 0 304.262 -0.016 20 0 DBADRM C[C@H](c1ccccc1)N(CC(N)=O)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000678064655 544906752 /nfs/dbraw/zinc/90/67/52/544906752.db2.gz STYQBTUCCLSDOU-MRVPVSSYSA-N -1 0 317.305 -0.029 20 0 DBADRM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)[C@@H]1CCNC(=O)C1 ZINC000677203455 544885871 /nfs/dbraw/zinc/88/58/71/544885871.db2.gz MDSRKERJJXCMEB-PWSUYJOCSA-N -1 0 300.322 -0.069 20 0 DBADRM COc1ccc(-n2cc([O-])c(C(=O)NC(CO)CO)n2)cc1 ZINC000680453138 544947943 /nfs/dbraw/zinc/94/79/43/544947943.db2.gz RIAWBYRWNHRDND-UHFFFAOYSA-N -1 0 307.306 -0.331 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)CN2CCC(=O)NC2=O)c1 ZINC000678931262 544923221 /nfs/dbraw/zinc/92/32/21/544923221.db2.gz BJXWYOFATHUTHT-UHFFFAOYSA-N -1 0 305.290 -0.057 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NCc1cccc(C(=O)[O-])c1)C(N)=O ZINC000678931558 544923498 /nfs/dbraw/zinc/92/34/98/544923498.db2.gz GKDHISZCHLIFQE-NSHDSACASA-N -1 0 307.306 -0.619 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000678990621 544924440 /nfs/dbraw/zinc/92/44/40/544924440.db2.gz JTXQSLQUPWJOCB-GFCCVEGCSA-N -1 0 307.368 -0.193 20 0 DBADRM CN(CC(=O)N[C@H](C(=O)[O-])c1ccccc1F)S(C)(=O)=O ZINC000678988546 544924549 /nfs/dbraw/zinc/92/45/49/544924549.db2.gz WUMGLMKLZPXTGK-NSHDSACASA-N -1 0 318.326 -0.041 20 0 DBADRM O=C([O-])C[C@@H]1CCCCN1C(=O)CN1CCCS1(=O)=O ZINC000679401561 544930455 /nfs/dbraw/zinc/93/04/55/544930455.db2.gz ZSEMNONIWSIHOJ-JTQLQIEISA-N -1 0 304.368 -0.122 20 0 DBADRM CC(C)[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC000679547707 544933385 /nfs/dbraw/zinc/93/33/85/544933385.db2.gz BCJAGDCGWRVUHG-VIFPVBQESA-N -1 0 309.388 -0.324 20 0 DBADRM O=C([O-])CN(C(=O)NCCCN1CCCS1(=O)=O)C1CC1 ZINC000679557498 544933649 /nfs/dbraw/zinc/93/36/49/544933649.db2.gz OZLHZFJEDFODAW-UHFFFAOYSA-N -1 0 319.383 -0.329 20 0 DBADRM CNS(=O)(=O)c1cccc(CNC(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000679543832 544933653 /nfs/dbraw/zinc/93/36/53/544933653.db2.gz ASPXCDQEGALOHT-QMMMGPOBSA-N -1 0 315.351 -0.133 20 0 DBADRM O=C([O-])CNC(=O)CN1CCN(C(=O)N2CCCCC2)CC1 ZINC000679655129 544935971 /nfs/dbraw/zinc/93/59/71/544935971.db2.gz PFFAXOUSYQZYDI-UHFFFAOYSA-N -1 0 312.370 -0.589 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000679654383 544935975 /nfs/dbraw/zinc/93/59/75/544935975.db2.gz AXGROCDAYXORRZ-IUCAKERBSA-N -1 0 301.343 -0.661 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000679636689 544936206 /nfs/dbraw/zinc/93/62/06/544936206.db2.gz RVYYBCPLXUPKTC-SNVBAGLBSA-N -1 0 316.321 -0.174 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@H]2CCCNC2=O)cc1C(=O)[O-] ZINC000050397522 544942601 /nfs/dbraw/zinc/94/26/01/544942601.db2.gz RMHNEZZHGLLEGM-VIFPVBQESA-N -1 0 315.351 -0.237 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-] ZINC000681129551 544964062 /nfs/dbraw/zinc/96/40/62/544964062.db2.gz MEOFHCNTFCPSSW-BONVTDFDSA-N -1 0 321.333 -0.618 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)CC[C@@H]1CCCO1 ZINC000681555496 544974753 /nfs/dbraw/zinc/97/47/53/544974753.db2.gz BPQRZIUHVFIWGB-WDEREUQCSA-N -1 0 317.367 -0.106 20 0 DBADRM O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1cnc2n1CCC2 ZINC000681587006 544975795 /nfs/dbraw/zinc/97/57/95/544975795.db2.gz XOAQQKMGWQYDNK-VIFPVBQESA-N -1 0 315.351 -0.307 20 0 DBADRM CC[C@@H](CNS(=O)(=O)c1cnn(CCOC)c1)C(=O)[O-] ZINC000681571054 544975911 /nfs/dbraw/zinc/97/59/11/544975911.db2.gz KWKLIXUFEQPSFE-VIFPVBQESA-N -1 0 305.356 -0.081 20 0 DBADRM Cc1ccc(C[C@H](CO)NC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC000682550146 545001129 /nfs/dbraw/zinc/00/11/29/545001129.db2.gz RKSMVBVTVSCXFZ-SNVBAGLBSA-N -1 0 304.306 -0.075 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)C1CC(C(=O)[O-])C1 ZINC000682700887 545003800 /nfs/dbraw/zinc/00/38/00/545003800.db2.gz VVLSHHNOUOPVAN-UHFFFAOYSA-N -1 0 306.384 -0.115 20 0 DBADRM Cn1ncc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)c1N ZINC000683353972 545009343 /nfs/dbraw/zinc/00/93/43/545009343.db2.gz DXWBOHMDONTCKD-UHFFFAOYSA-N -1 0 300.282 -0.064 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCN1S(C)(=O)=O ZINC000683341281 545009399 /nfs/dbraw/zinc/00/93/99/545009399.db2.gz NURXJSQOKYLCOC-AEJSXWLSSA-N -1 0 320.367 -0.889 20 0 DBADRM CCN(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000683620563 545011909 /nfs/dbraw/zinc/01/19/09/545011909.db2.gz KXRNJYLVVMMMBB-RYUDHWBXSA-N -1 0 316.379 -0.171 20 0 DBADRM CN1C[C@H](C(=O)NCc2n[nH]c(=O)[n-]2)c2ccccc2C1=O ZINC000683856198 545013578 /nfs/dbraw/zinc/01/35/78/545013578.db2.gz FOMURJRYRNPYHY-JTQLQIEISA-N -1 0 301.306 -0.004 20 0 DBADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC[C@H](O)C(N)=O)n1 ZINC000683916474 545015042 /nfs/dbraw/zinc/01/50/42/545015042.db2.gz QUNJWQLRKRSPIR-JTQLQIEISA-N -1 0 322.296 -0.399 20 0 DBADRM C/C=C\C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC000684721231 545023250 /nfs/dbraw/zinc/02/32/50/545023250.db2.gz ODFDYFRDDVFTQS-UMCURTJPSA-N -1 0 321.399 -0.014 20 0 DBADRM Cc1ccncc1N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000684995212 545025391 /nfs/dbraw/zinc/02/53/91/545025391.db2.gz RNUUTPUXEIGGDD-UHFFFAOYSA-N -1 0 316.321 -0.051 20 0 DBADRM COC[C@@H](C)CS(=O)(=O)NCC(=O)Nc1ccn(C)n1 ZINC000685509456 545032602 /nfs/dbraw/zinc/03/26/02/545032602.db2.gz XQSVYFXTVKWHIG-SECBINFHSA-N -1 0 304.372 -0.440 20 0 DBADRM COc1cc(F)c(F)cc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000685721579 545033846 /nfs/dbraw/zinc/03/38/46/545033846.db2.gz JISQXMUBVUMWHB-UHFFFAOYSA-N -1 0 312.236 -0.259 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000113684161 545034868 /nfs/dbraw/zinc/03/48/68/545034868.db2.gz FVWVGBRQBDPMMY-UHFFFAOYSA-N -1 0 309.388 -0.181 20 0 DBADRM COCC[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000052784572 545037980 /nfs/dbraw/zinc/03/79/80/545037980.db2.gz DWLJCKQMVQMVAS-DTWKUNHWSA-N -1 0 308.356 -0.984 20 0 DBADRM O=C([O-])COCCNC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000383548525 545038057 /nfs/dbraw/zinc/03/80/57/545038057.db2.gz RXCCPTFFGPZOQB-SECBINFHSA-N -1 0 300.233 -0.204 20 0 DBADRM CCc1nnc(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[nH]1 ZINC000182236952 265657023 /nfs/dbraw/zinc/65/70/23/265657023.db2.gz XSSATZQDSJVJBK-UHFFFAOYSA-N -1 0 301.266 -0.456 20 0 DBADRM CCOC(=O)CC[C@H](NS(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000233690884 265676012 /nfs/dbraw/zinc/67/60/12/265676012.db2.gz LXTGBQZSRINWMW-VIFPVBQESA-N -1 0 308.356 -0.287 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000400326002 265722328 /nfs/dbraw/zinc/72/23/28/265722328.db2.gz ZVDUDHYQCLSFEA-SKDRFNHKSA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)C[C@H]1C(=O)[O-] ZINC000422551217 265877256 /nfs/dbraw/zinc/87/72/56/265877256.db2.gz DFOYLABHPSLKIG-GWOFURMSSA-N -1 0 306.384 -0.007 20 0 DBADRM CN1CN(C(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1=O ZINC000422635597 265880005 /nfs/dbraw/zinc/88/00/05/265880005.db2.gz UDPHLMGJJHCGCM-UHFFFAOYSA-N -1 0 319.317 -0.100 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c2ccccc2O1 ZINC000422676526 265880048 /nfs/dbraw/zinc/88/00/48/265880048.db2.gz DWSJAWQBKPRQHZ-PSLIRLAXSA-N -1 0 322.317 -0.248 20 0 DBADRM CN(CCn1cccn1)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000422827176 265880668 /nfs/dbraw/zinc/88/06/68/265880668.db2.gz RSHLAFTVMNDKIG-LLVKDONJSA-N -1 0 308.338 -0.335 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000422725147 265881175 /nfs/dbraw/zinc/88/11/75/265881175.db2.gz XNTQWFLCEXMCMU-HBNTYKKESA-N -1 0 300.355 -0.046 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000422725143 265881314 /nfs/dbraw/zinc/88/13/14/265881314.db2.gz XNTQWFLCEXMCMU-AXFHLTTASA-N -1 0 300.355 -0.046 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000422783153 265881536 /nfs/dbraw/zinc/88/15/36/265881536.db2.gz KRDXNEHNWMZWNE-ZJUUUORDSA-N -1 0 311.338 -0.811 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C[C@@H]1OC ZINC000422854796 265882037 /nfs/dbraw/zinc/88/20/37/265882037.db2.gz DAIGUEKYFJPIMB-GARJFASQSA-N -1 0 314.338 -0.818 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H](C)[C@H](O)C2)C1 ZINC000422871037 265882220 /nfs/dbraw/zinc/88/22/20/265882220.db2.gz ZOPQUOYEIALNBW-WISYIIOYSA-N -1 0 312.366 -0.215 20 0 DBADRM COC(=O)[C@]1(C)CN(C(=O)C(=O)N(C)CCC(=O)[O-])C[C@H]1C ZINC000422861227 265882803 /nfs/dbraw/zinc/88/28/03/265882803.db2.gz NPQKBHBTYKHJCY-YMTOWFKASA-N -1 0 314.338 -0.423 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])[C@H]1C ZINC000422927227 265883675 /nfs/dbraw/zinc/88/36/75/265883675.db2.gz YKXYHASFDVFSAJ-IUCAKERBSA-N -1 0 300.311 -0.671 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCO[C@@H](CF)C2)C1 ZINC000422932542 265884098 /nfs/dbraw/zinc/88/40/98/265884098.db2.gz ZLYRNJSXRKARTF-VWYCJHECSA-N -1 0 316.329 -0.248 20 0 DBADRM Cc1ncsc1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424231626 265927240 /nfs/dbraw/zinc/92/72/40/265927240.db2.gz BHYUUCWZMDFUSB-ZETCQYMHSA-N -1 0 304.349 -0.225 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2c[nH]c3ncccc23)CCS1(=O)=O ZINC000424234567 265927562 /nfs/dbraw/zinc/92/75/62/265927562.db2.gz FGBIYZVTQZMPEU-JTQLQIEISA-N -1 0 323.330 -0.113 20 0 DBADRM CC(C)n1cc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cn1 ZINC000424244841 265928443 /nfs/dbraw/zinc/92/84/43/265928443.db2.gz ODIKNNVZQKSFRE-JTQLQIEISA-N -1 0 315.351 -0.212 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)c2ncccc2O)CCS1(=O)=O ZINC000424235944 265928449 /nfs/dbraw/zinc/92/84/49/265928449.db2.gz GKKQWGPKAJKOHL-MRVPVSSYSA-N -1 0 300.292 -0.889 20 0 DBADRM CN(CC(F)(F)F)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424367253 265929642 /nfs/dbraw/zinc/92/96/42/265929642.db2.gz LASDXMVDLPDQIG-ZCFIWIBFSA-N -1 0 318.273 -0.216 20 0 DBADRM C[C@H]1CCCN(C(=O)CCS(=O)(=O)N(C)C)[C@@H]1C(=O)[O-] ZINC000424264399 265930491 /nfs/dbraw/zinc/93/04/91/265930491.db2.gz SAQNNISNWKXINH-ONGXEEELSA-N -1 0 306.384 -0.020 20 0 DBADRM CCc1nnc(N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])nc1CC ZINC000424371704 265930630 /nfs/dbraw/zinc/93/06/30/265930630.db2.gz GFVMAGVTWJQUQF-VIFPVBQESA-N -1 0 319.325 -0.233 20 0 DBADRM CC1(C)OCC[C@H]1NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424399987 265931659 /nfs/dbraw/zinc/93/16/59/265931659.db2.gz SEUHCMAJLDKYOL-DTWKUNHWSA-N -1 0 320.367 -0.553 20 0 DBADRM COCCCCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424395891 265931713 /nfs/dbraw/zinc/93/17/13/265931713.db2.gz POBLIPSRFAVXQU-JTQLQIEISA-N -1 0 322.383 -0.304 20 0 DBADRM CCOC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424457362 265935307 /nfs/dbraw/zinc/93/53/07/265935307.db2.gz YOISFTWXYXCKSO-SECBINFHSA-N -1 0 322.383 -0.305 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424475183 265936750 /nfs/dbraw/zinc/93/67/50/265936750.db2.gz BHTKMSFGTXHILP-VIFPVBQESA-N -1 0 313.354 -0.707 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2)C(=O)[O-] ZINC000424475296 265936754 /nfs/dbraw/zinc/93/67/54/265936754.db2.gz BLTFFIRGGUWJID-AOOOYVTPSA-N -1 0 314.338 -0.770 20 0 DBADRM CC(C)C[C@H](CNC(=O)C(=O)NCc1ccnn1C)C(=O)[O-] ZINC000424522636 265938213 /nfs/dbraw/zinc/93/82/13/265938213.db2.gz RZDYAMUQICQYSX-SNVBAGLBSA-N -1 0 310.354 -0.101 20 0 DBADRM CC(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(N)=O ZINC000428045012 265971239 /nfs/dbraw/zinc/97/12/39/265971239.db2.gz NYRIHSSUAAYYEO-RYUDHWBXSA-N -1 0 321.333 -0.821 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2ccccc2CC(=O)[O-])C1=O ZINC000428105450 265971936 /nfs/dbraw/zinc/97/19/36/265971936.db2.gz XTSBHOOYYWQGBC-UHFFFAOYSA-N -1 0 319.273 -0.327 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC000431855608 266025029 /nfs/dbraw/zinc/02/50/29/266025029.db2.gz BUJIFSDKBHMWAA-CYBMUJFWSA-N -1 0 311.294 -0.078 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC000431855609 266026018 /nfs/dbraw/zinc/02/60/18/266026018.db2.gz BUJIFSDKBHMWAA-ZDUSSCGKSA-N -1 0 311.294 -0.078 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000432122876 266027930 /nfs/dbraw/zinc/02/79/30/266027930.db2.gz QKMHESJGDUYLAR-AATLWQCWSA-N -1 0 304.368 -0.316 20 0 DBADRM COC(=O)Cc1nc(NC(=O)c2cnn3ncccc23)n[nH]1 ZINC000433974924 266045268 /nfs/dbraw/zinc/04/52/68/266045268.db2.gz CVHRTSRRAQXWDZ-UHFFFAOYSA-N -1 0 301.266 -0.185 20 0 DBADRM Cc1cc(C(=O)NCCn2ncnn2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000433913837 266045648 /nfs/dbraw/zinc/04/56/48/266045648.db2.gz VYXOLZURJIJHOZ-UHFFFAOYSA-N -1 0 316.281 -0.839 20 0 DBADRM Cc1ccc(-n2[n-]c(C(=O)NCCn3ncnn3)cc2=O)cc1 ZINC000433965588 266046133 /nfs/dbraw/zinc/04/61/33/266046133.db2.gz QWXCDIURPAZDCM-UHFFFAOYSA-N -1 0 313.321 -0.109 20 0 DBADRM Cc1nn(C)c2n[nH]c(NC(=O)c3cnc([O-])n(C)c3=O)c12 ZINC000435141452 266058571 /nfs/dbraw/zinc/05/85/71/266058571.db2.gz OVFZTLDXJABKPG-UHFFFAOYSA-N -1 0 303.282 -0.344 20 0 DBADRM NC(=O)c1cn(C2CN(C(=O)c3ccc(F)cc3[O-])C2)nn1 ZINC000436933254 266071302 /nfs/dbraw/zinc/07/13/02/266071302.db2.gz BMSVIWLNVNVLOY-UHFFFAOYSA-N -1 0 305.269 -0.081 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000442947120 266134029 /nfs/dbraw/zinc/13/40/29/266134029.db2.gz DAJZNBFVUJFVBE-LURJTMIESA-N -1 0 310.319 -0.498 20 0 DBADRM COc1cncc(S(=O)(=O)[N-]c2ncn(C)c2C(N)=O)c1 ZINC000442617915 266127075 /nfs/dbraw/zinc/12/70/75/266127075.db2.gz DUATXNAQNFNPRZ-UHFFFAOYSA-N -1 0 311.323 -0.277 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N(CC(=O)[O-])[C@H](C)CC ZINC000442733329 266129056 /nfs/dbraw/zinc/12/90/56/266129056.db2.gz CFJIHGIVAWYJJN-SNVBAGLBSA-N -1 0 324.399 -0.346 20 0 DBADRM O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)[N-]CC(F)(F)F ZINC000443016359 266132866 /nfs/dbraw/zinc/13/28/66/266132866.db2.gz VYXBWTCUFNVUGZ-RQJHMYQMSA-N -1 0 301.290 -0.264 20 0 DBADRM C[NH+](C)CC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000442970358 266132885 /nfs/dbraw/zinc/13/28/85/266132885.db2.gz TVUVQJSDSHHSSO-UHFFFAOYSA-N -1 0 321.349 -0.079 20 0 DBADRM CN1CCO[C@H]2CN(S(=O)(=O)[N-]CC(F)(F)F)C[C@H]21 ZINC000443009376 266134125 /nfs/dbraw/zinc/13/41/25/266134125.db2.gz YGVAQAZLVPTAQI-SFYZADRCSA-N -1 0 303.306 -0.602 20 0 DBADRM NC(=O)c1ccc(CNS(=O)(=O)[N-]CC(F)(F)F)cn1 ZINC000443011392 266134152 /nfs/dbraw/zinc/13/41/52/266134152.db2.gz GLGHUWQDZLYQGJ-UHFFFAOYSA-N -1 0 312.273 -0.333 20 0 DBADRM O=C1CC[C@H]2CN(S(=O)(=O)[N-]CC(F)(F)F)CCN12 ZINC000443050475 266135587 /nfs/dbraw/zinc/13/55/87/266135587.db2.gz RHMQTZUKVGWSNF-ZETCQYMHSA-N -1 0 301.290 -0.310 20 0 DBADRM O=S(=O)([N-]CC(F)(F)F)N1CCO[C@@]2(CCOC2)C1 ZINC000443051226 266135630 /nfs/dbraw/zinc/13/56/30/266135630.db2.gz WBHHUIIOWFQCBG-QMMMGPOBSA-N -1 0 304.290 -0.126 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)[N-][C@@]1(C(=O)OC)CCOC1 ZINC000451298971 266143623 /nfs/dbraw/zinc/14/36/23/266143623.db2.gz XXFYWLHBLZQDAM-JQWIXIFHSA-N -1 0 309.384 -0.090 20 0 DBADRM Cn1cc(/C=C\C(=O)N2CC[C@](C)(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000492136297 266152933 /nfs/dbraw/zinc/15/29/33/266152933.db2.gz HNPFLDVOHYHRCI-XVWMLYKFSA-N -1 0 321.333 -0.580 20 0 DBADRM Cn1cc(/C=C/C(=O)NCCCCC(=O)[O-])c(=O)n(C)c1=O ZINC000492134929 266153102 /nfs/dbraw/zinc/15/31/02/266153102.db2.gz DWBVIXPFDSKCIJ-VOTSOKGWSA-N -1 0 309.322 -0.532 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)/C=C/c1ccnn1C ZINC000492143067 266153497 /nfs/dbraw/zinc/15/34/97/266153497.db2.gz WSLGTIMOTLXXJE-ONEGZZNKSA-N -1 0 317.367 -0.458 20 0 DBADRM Cn1cc(/C=C\C(=O)NCC2(C(=O)[O-])CCC2)c(=O)n(C)c1=O ZINC000492185659 266155029 /nfs/dbraw/zinc/15/50/29/266155029.db2.gz ZXHHQYCJHVBWON-PLNGDYQASA-N -1 0 321.333 -0.532 20 0 DBADRM C[C@@H](CNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)CC(=O)[O-] ZINC000492351745 266160065 /nfs/dbraw/zinc/16/00/65/266160065.db2.gz VFJDDJPULMOGBP-XRVBUDJMSA-N -1 0 309.322 -0.676 20 0 DBADRM CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCCO ZINC000492512852 266161895 /nfs/dbraw/zinc/16/18/95/266161895.db2.gz SGWZGKIFYYECQN-MRVPVSSYSA-N -1 0 306.315 -0.517 20 0 DBADRM Cc1nn(C)c(Cl)c1/C=C\C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000492638490 266162852 /nfs/dbraw/zinc/16/28/52/266162852.db2.gz CSXDFKTUHKXITR-ARJAWSKDSA-N -1 0 320.758 -0.674 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)/C=C/c1c(F)cccc1F ZINC000492620596 266162859 /nfs/dbraw/zinc/16/28/59/266162859.db2.gz STMCKFGZDJGALL-SNAWJCMRSA-N -1 0 304.274 -0.091 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)/C=C\c1c(F)cccc1F ZINC000492620595 266162904 /nfs/dbraw/zinc/16/29/04/266162904.db2.gz STMCKFGZDJGALL-PLNGDYQASA-N -1 0 304.274 -0.091 20 0 DBADRM COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cn1 ZINC000492729182 266163711 /nfs/dbraw/zinc/16/37/11/266163711.db2.gz ACDWDCKGKXLLNV-ARJAWSKDSA-N -1 0 323.334 -0.263 20 0 DBADRM COc1cncc(/C=C\C(=O)[N-]S(=O)(=O)c2cnnn2C)c1 ZINC000492706622 266164312 /nfs/dbraw/zinc/16/43/12/266164312.db2.gz OYYPFYLWODFVBE-ARJAWSKDSA-N -1 0 323.334 -0.263 20 0 DBADRM C[N@H+](CC(=O)[O-])[C@H]1CN(C(=O)/C=C/c2cncc(F)c2)C[C@H]1O ZINC000492703913 266164331 /nfs/dbraw/zinc/16/43/31/266164331.db2.gz KWENMIKXOCYIKG-OUDYMMNNSA-N -1 0 323.324 -0.178 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)/C=C/c1ccc(F)c(F)c1 ZINC000492783441 266165506 /nfs/dbraw/zinc/16/55/06/266165506.db2.gz QADLHTRQZNBHOI-DUXPYHPUSA-N -1 0 304.274 -0.091 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)OC)cn1 ZINC000492867753 266167677 /nfs/dbraw/zinc/16/76/77/266167677.db2.gz RYXZOWCFGZGYQF-UHFFFAOYSA-N -1 0 304.328 -0.594 20 0 DBADRM O=C(/C=C/c1cccnc1)NCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000493119505 266170074 /nfs/dbraw/zinc/17/00/74/266170074.db2.gz OSYARQBQHJYLCD-PCAWENJQSA-N -1 0 319.317 -0.477 20 0 DBADRM O=C(/C=C/COCC(F)(F)F)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000493144920 266170147 /nfs/dbraw/zinc/17/01/47/266170147.db2.gz FPFUMVBKUJZCPS-FHKCNRDCSA-N -1 0 321.255 -0.116 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)/C=C/c1ccnn1C ZINC000493194738 266171157 /nfs/dbraw/zinc/17/11/57/266171157.db2.gz HBHUBSICPWJXNL-SNAWJCMRSA-N -1 0 309.351 -0.020 20 0 DBADRM CO[C@@H](CNC(=O)CNC(=O)/C=C\c1cccnc1)C(=O)[O-] ZINC000493197238 266171182 /nfs/dbraw/zinc/17/11/82/266171182.db2.gz AKRGKJXTEAVUND-WYGGZMRJSA-N -1 0 307.306 -0.573 20 0 DBADRM COCC[C@@H](NC(=O)CNC(=O)/C=C\c1cccnc1)C(=O)[O-] ZINC000493172242 266171197 /nfs/dbraw/zinc/17/11/97/266171197.db2.gz PSLUYASQWFNOMS-QMAVJUDZSA-N -1 0 321.333 -0.183 20 0 DBADRM CO[C@H](CNC(=O)CNC(=O)/C=C\c1cccnc1)C(=O)[O-] ZINC000493197236 266171653 /nfs/dbraw/zinc/17/16/53/266171653.db2.gz AKRGKJXTEAVUND-DOGVGXBMSA-N -1 0 307.306 -0.573 20 0 DBADRM COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000493267127 266173612 /nfs/dbraw/zinc/17/36/12/266173612.db2.gz JSOANXSJPMYNGY-UHFFFAOYSA-N -1 0 316.339 -0.240 20 0 DBADRM Cn1cc(/C=C\C(=O)N(CC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000493358290 266174485 /nfs/dbraw/zinc/17/44/85/266174485.db2.gz VPNJWXCWXDMABE-UTCJRWHESA-N -1 0 307.306 -0.827 20 0 DBADRM CC(C)CN(CC(=O)[O-])C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000493395015 266174596 /nfs/dbraw/zinc/17/45/96/266174596.db2.gz CZVYHPITTVEEJJ-AATRIKPKSA-N -1 0 323.349 -0.334 20 0 DBADRM C[C@@H](CC(=O)[O-])N(C)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000493350667 266174927 /nfs/dbraw/zinc/17/49/27/266174927.db2.gz JGVVVDRLEPCBRA-UDIARPCQSA-N -1 0 309.322 -0.581 20 0 DBADRM C[C@H](CC(N)=O)NC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000493475100 266175766 /nfs/dbraw/zinc/17/57/66/266175766.db2.gz XYSBHAOVSGHDIP-ZCFIWIBFSA-N -1 0 313.383 -0.424 20 0 DBADRM C[C@](O)(CNC(=O)/C=C\c1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000493666089 266180475 /nfs/dbraw/zinc/18/04/75/266180475.db2.gz WEBQJOZKYIMMTR-QZDDGCDVSA-N -1 0 322.317 -0.484 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C\c1cccc(O)c1 ZINC000493713789 266181038 /nfs/dbraw/zinc/18/10/38/266181038.db2.gz AGWUQMRZAWINHR-WAYWQWQTSA-N -1 0 312.347 -0.013 20 0 DBADRM NC(=O)c1ccc(C=CC(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000493684500 266181091 /nfs/dbraw/zinc/18/10/91/266181091.db2.gz DEIHLLGXEGNYOB-ZZXKWVIFSA-N -1 0 302.290 -0.166 20 0 DBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)[C@@H](C)COC ZINC000493831623 266181632 /nfs/dbraw/zinc/18/16/32/266181632.db2.gz IOIUYVGZMDFBLG-VIFPVBQESA-N -1 0 310.372 -0.006 20 0 DBADRM CNC(=O)c1cncc(C=CC(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000493841430 266182403 /nfs/dbraw/zinc/18/24/03/266182403.db2.gz FKAGOVLUQVTWFJ-NSCUHMNNSA-N -1 0 317.305 -0.510 20 0 DBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)[C@H](C)COC ZINC000493831622 266182430 /nfs/dbraw/zinc/18/24/30/266182430.db2.gz IOIUYVGZMDFBLG-SECBINFHSA-N -1 0 310.372 -0.006 20 0 DBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000493957279 266183454 /nfs/dbraw/zinc/18/34/54/266183454.db2.gz UYVVJRMALFPQQI-UHFFFAOYSA-N -1 0 318.355 -0.249 20 0 DBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000494078865 266186691 /nfs/dbraw/zinc/18/66/91/266186691.db2.gz QBTRNAJKITVLNV-ZETCQYMHSA-N -1 0 318.355 -0.414 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])CC1 ZINC000494112166 266187471 /nfs/dbraw/zinc/18/74/71/266187471.db2.gz CKTDOMWLVPHXJE-VIFPVBQESA-N -1 0 323.371 -0.590 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000494148615 266187592 /nfs/dbraw/zinc/18/75/92/266187592.db2.gz OKJVHAJDVJXEGO-UHFFFAOYSA-N -1 0 318.355 -0.033 20 0 DBADRM COC(=O)[C@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)OC ZINC000494447992 266192433 /nfs/dbraw/zinc/19/24/33/266192433.db2.gz URGCTMGPVPRDPB-JTQLQIEISA-N -1 0 305.290 -0.159 20 0 DBADRM COCCN(CC(=O)[N-]OCC(N)=O)C(=O)OC(C)(C)C ZINC000494485705 266193054 /nfs/dbraw/zinc/19/30/54/266193054.db2.gz MQZFLBMVTQYGBM-UHFFFAOYSA-N -1 0 305.331 -0.597 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCNC(=O)OC)nc1C ZINC000494657994 266195790 /nfs/dbraw/zinc/19/57/90/266195790.db2.gz DMYABHQIOFCRAG-UHFFFAOYSA-N -1 0 318.355 -0.238 20 0 DBADRM COC(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000495174688 266201223 /nfs/dbraw/zinc/20/12/23/266201223.db2.gz PAZXPLMHUWZSRM-UHFFFAOYSA-N -1 0 315.307 -0.590 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000495223143 266202340 /nfs/dbraw/zinc/20/23/40/266202340.db2.gz SCLHZHYPTJRFPB-SECBINFHSA-N -1 0 308.356 -0.252 20 0 DBADRM CC(=O)NCCN(C(=O)CCN1CCOC1=O)[C@@H](C)C(=O)[O-] ZINC000495281778 266202799 /nfs/dbraw/zinc/20/27/99/266202799.db2.gz QDIHAGOZGZUFLQ-VIFPVBQESA-N -1 0 315.326 -0.734 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](C)CC(=O)[O-])CC1 ZINC000495513724 266207445 /nfs/dbraw/zinc/20/74/45/266207445.db2.gz KWHGKAQRAIIASV-VIFPVBQESA-N -1 0 323.371 -0.542 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CN(C)C(=O)OC ZINC000495590150 266209665 /nfs/dbraw/zinc/20/96/65/266209665.db2.gz RJIUHSWXGWHKEU-JGVFFNPUSA-N -1 0 324.355 -0.672 20 0 DBADRM O=C1N[C@H]2CCN(S(=O)(=O)[N-]CC(F)(F)F)C[C@@H]2CO1 ZINC000495907396 266222019 /nfs/dbraw/zinc/22/20/19/266222019.db2.gz AANZZWMFHQZLJH-RQJHMYQMSA-N -1 0 317.289 -0.187 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000495904923 266222209 /nfs/dbraw/zinc/22/22/09/266222209.db2.gz KTYVIRILVLVYSK-UHFFFAOYSA-N -1 0 318.355 -0.330 20 0 DBADRM CCOC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)C(C)C ZINC000495991059 266223642 /nfs/dbraw/zinc/22/36/42/266223642.db2.gz JGCUQGHGWQDCSU-ZJUUUORDSA-N -1 0 322.383 -0.008 20 0 DBADRM CN(C)C(=O)OC[C@@H]1CCCCN1CC(=O)Nc1nn[nH]n1 ZINC000496590881 266240955 /nfs/dbraw/zinc/24/09/55/266240955.db2.gz YACZUSOIHGZIEA-VIFPVBQESA-N -1 0 311.346 -0.309 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000496648582 266242374 /nfs/dbraw/zinc/24/23/74/266242374.db2.gz YRBWWFNQBRHINB-SNVBAGLBSA-N -1 0 322.383 -0.005 20 0 DBADRM COC(=O)N1CCC(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000496692360 266243875 /nfs/dbraw/zinc/24/38/75/266243875.db2.gz DEFGKIOPROOYIG-UHFFFAOYSA-N -1 0 310.310 -0.554 20 0 DBADRM CCOC(=O)N1CCN(S(=O)(=O)NC2(C(=O)[O-])CC2)CC1 ZINC000496741421 266245326 /nfs/dbraw/zinc/24/53/26/266245326.db2.gz QFNBWAQIXGUSSL-UHFFFAOYSA-N -1 0 321.355 -0.788 20 0 DBADRM O=C1OCC[C@H]2CN(S(=O)(=O)[N-]CC(F)(F)F)CCN12 ZINC000496799136 266246701 /nfs/dbraw/zinc/24/67/01/266246701.db2.gz OICMPDYQJOMWKF-ZETCQYMHSA-N -1 0 317.289 -0.090 20 0 DBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000496882315 266248725 /nfs/dbraw/zinc/24/87/25/266248725.db2.gz JJXBYLJPOXPNGJ-UHFFFAOYSA-N -1 0 316.339 -0.620 20 0 DBADRM COC(=O)NCC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000497017845 266253037 /nfs/dbraw/zinc/25/30/37/266253037.db2.gz GQSJBNXYKDFQMM-WCBMZHEXSA-N -1 0 315.326 -0.831 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000514600879 266261434 /nfs/dbraw/zinc/26/14/34/266261434.db2.gz UYWBZBNNXCHXNI-JQWIXIFHSA-N -1 0 320.367 -0.729 20 0 DBADRM NC(=O)[C@]1(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)CCOC1 ZINC000514612792 266261698 /nfs/dbraw/zinc/26/16/98/266261698.db2.gz ZKQZVHKXCWFZFU-LBPRGKRZSA-N -1 0 314.319 -0.693 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000514673631 266263466 /nfs/dbraw/zinc/26/34/66/266263466.db2.gz OFHIVGSXQUAYDX-VIFPVBQESA-N -1 0 304.368 -0.706 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1 ZINC000514855996 266266284 /nfs/dbraw/zinc/26/62/84/266266284.db2.gz KWVANYXAWBQKNJ-GFCCVEGCSA-N -1 0 315.351 -0.116 20 0 DBADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CCCOC1 ZINC000514989204 266267760 /nfs/dbraw/zinc/26/77/60/266267760.db2.gz QSXAJETZGLBRMG-CWSCBRNRSA-N -1 0 310.350 -0.007 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCc2nnn(C)n2)c1 ZINC000515187839 266269374 /nfs/dbraw/zinc/26/93/74/266269374.db2.gz AXWMXULKYWHPDT-OAQYLSRUSA-N -1 0 309.351 -0.357 20 0 DBADRM COCCN(C)S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1C ZINC000515265975 266270453 /nfs/dbraw/zinc/27/04/53/266270453.db2.gz UBZXTNIDQHOONW-JTQLQIEISA-N -1 0 320.371 -0.733 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000516179833 266278050 /nfs/dbraw/zinc/27/80/50/266278050.db2.gz HGDMKHGSIGAAKF-NSHDSACASA-N -1 0 302.327 -0.193 20 0 DBADRM C[C@@H]1CN(CCNS(=O)(=O)[N-]CC(F)(F)F)CCO1 ZINC000517069587 266289801 /nfs/dbraw/zinc/28/98/01/266289801.db2.gz AOOIERKCCJVZQM-MRVPVSSYSA-N -1 0 305.322 -0.307 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000517236013 266291191 /nfs/dbraw/zinc/29/11/91/266291191.db2.gz GFURWLJXTZHWTK-UWVGGRQHSA-N -1 0 306.384 -0.163 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)NC2CC2)C1=O ZINC000518139411 266298005 /nfs/dbraw/zinc/29/80/05/266298005.db2.gz IUYIOGIRYNAULP-UWVGGRQHSA-N -1 0 319.383 -0.717 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2c[nH]cn2)C[C@]12CCOC2 ZINC000518294063 266299761 /nfs/dbraw/zinc/29/97/61/266299761.db2.gz NMKRSENLMJDEDK-KCJUWKMLSA-N -1 0 301.324 -0.479 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000518541917 266302680 /nfs/dbraw/zinc/30/26/80/266302680.db2.gz DEXBLXPFXLSTDG-OPRDCNLKSA-N -1 0 306.384 -0.165 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1c(C)cnn1C ZINC000518765092 266303469 /nfs/dbraw/zinc/30/34/69/266303469.db2.gz KEQQRTAXUPSXFH-NSHDSACASA-N -1 0 305.356 -0.113 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000519402073 266308652 /nfs/dbraw/zinc/30/86/52/266308652.db2.gz XBUWNMJGBMROAK-UHFFFAOYSA-N -1 0 311.294 -0.689 20 0 DBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(c2ncc(S(N)(=O)=O)s2)C1 ZINC000519548391 266309089 /nfs/dbraw/zinc/30/90/89/266309089.db2.gz VVKDSBOXMZYQDO-RNFRBKRXSA-N -1 0 321.380 -0.141 20 0 DBADRM CN1CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1=O ZINC000519541975 266309454 /nfs/dbraw/zinc/30/94/54/266309454.db2.gz VVATWAXOAJQHEN-JTQLQIEISA-N -1 0 311.338 -1.000 20 0 DBADRM COCC1(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)CC1 ZINC000519535079 266309714 /nfs/dbraw/zinc/30/97/14/266309714.db2.gz FCTDSDDRTYIWEI-SECBINFHSA-N -1 0 303.340 -0.356 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000519523486 266309808 /nfs/dbraw/zinc/30/98/08/266309808.db2.gz IPDNNIYKBJCESU-QMMMGPOBSA-N -1 0 301.324 -0.554 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000519602279 266310963 /nfs/dbraw/zinc/31/09/63/266310963.db2.gz IQTKNIIOELUSQG-RCWTZXSCSA-N -1 0 318.395 -0.022 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@H]2C2CC2)C[C@H]1C(=O)[O-] ZINC000519817525 266314663 /nfs/dbraw/zinc/31/46/63/266314663.db2.gz ZAKKCNJVNSQGER-YJQGPUDQSA-N -1 0 310.350 -0.151 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)[C@H]3COCCO3)C2)nn1 ZINC000519818581 266315135 /nfs/dbraw/zinc/31/51/35/266315135.db2.gz DWEKECPYEACMPK-MWLCHTKSSA-N -1 0 310.310 -0.445 20 0 DBADRM COC(=O)C1(CS(=O)(=O)NC[C@@H](CC(=O)[O-])OC)CCC1 ZINC000519737247 266315282 /nfs/dbraw/zinc/31/52/82/266315282.db2.gz BYUHSKWQUICCQR-SECBINFHSA-N -1 0 323.367 -0.261 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C(=O)[O-] ZINC000520582894 266319301 /nfs/dbraw/zinc/31/93/01/266319301.db2.gz DOQNUHDRHQKWMZ-VHSXEESVSA-N -1 0 309.322 -0.884 20 0 DBADRM Cc1cc(NC(=O)[C@@H](C)N2CCN(C(=O)C(=O)[O-])CC2)on1 ZINC000520819960 266321407 /nfs/dbraw/zinc/32/14/07/266321407.db2.gz SMLWOTXPKIJBBI-SECBINFHSA-N -1 0 310.310 -0.461 20 0 DBADRM Cc1cc(NC(=O)[C@H](C)N2CCN(C(=O)C(=O)[O-])CC2)on1 ZINC000520819961 266322280 /nfs/dbraw/zinc/32/22/80/266322280.db2.gz SMLWOTXPKIJBBI-VIFPVBQESA-N -1 0 310.310 -0.461 20 0 DBADRM O=C([O-])CN(C1CCOCC1)S(=O)(=O)C[C@H]1CCOC1 ZINC000520806449 266322796 /nfs/dbraw/zinc/32/27/96/266322796.db2.gz SMEVYEJQZOKTEB-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000520960407 266324750 /nfs/dbraw/zinc/32/47/50/266324750.db2.gz RWVKJGSTEKLVHL-QMMMGPOBSA-N -1 0 307.372 -0.858 20 0 DBADRM COCCN(C)S(=O)(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000521432103 266328405 /nfs/dbraw/zinc/32/84/05/266328405.db2.gz MEHRCSBXLSWBET-UHFFFAOYSA-N -1 0 310.372 -0.625 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000521624417 266330113 /nfs/dbraw/zinc/33/01/13/266330113.db2.gz AKIRQWGEGBZDTG-VXGBXAGGSA-N -1 0 311.382 -0.280 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000527484523 266358209 /nfs/dbraw/zinc/35/82/09/266358209.db2.gz QWRWRWZYIGQEMO-UWVGGRQHSA-N -1 0 322.383 -0.231 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NCc1cc(C(=O)[O-])co1 ZINC000527491327 266358254 /nfs/dbraw/zinc/35/82/54/266358254.db2.gz NQUFKXZLCTVTLX-UHFFFAOYSA-N -1 0 320.323 -0.193 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1noc2c1COCC2 ZINC000527598780 266363877 /nfs/dbraw/zinc/36/38/77/266363877.db2.gz SJECOARDLYUSON-MRVPVSSYSA-N -1 0 316.335 -0.014 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@]1(C)Br ZINC000528993107 266382439 /nfs/dbraw/zinc/38/24/39/266382439.db2.gz IGHSDFPUPAVEMT-SVGQVSJJSA-N -1 0 323.172 -0.207 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000528937260 266382551 /nfs/dbraw/zinc/38/25/51/266382551.db2.gz FPLBMWYQQSOGSW-VIFPVBQESA-N -1 0 312.413 -0.488 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1COCCO1 ZINC000529032610 266382636 /nfs/dbraw/zinc/38/26/36/266382636.db2.gz WKHIQVKXKNMHDL-HHHUOAJASA-N -1 0 321.395 -0.093 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000529016279 266382686 /nfs/dbraw/zinc/38/26/86/266382686.db2.gz WQZYCXZARWVTHB-SECBINFHSA-N -1 0 314.367 -0.073 20 0 DBADRM CC(=O)Nc1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)ccn1 ZINC000528951494 266382724 /nfs/dbraw/zinc/38/27/24/266382724.db2.gz KEVOHZNYLIYRCB-JTQLQIEISA-N -1 0 313.335 -0.112 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@]1(C)Br ZINC000528993108 266382765 /nfs/dbraw/zinc/38/27/65/266382765.db2.gz IGHSDFPUPAVEMT-XNCJUZBTSA-N -1 0 323.172 -0.207 20 0 DBADRM CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000529106710 266383738 /nfs/dbraw/zinc/38/37/38/266383738.db2.gz LJYLFJSPQQJFKD-ZJUUUORDSA-N -1 0 306.384 -0.670 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)CC1=O ZINC000529102755 266383876 /nfs/dbraw/zinc/38/38/76/266383876.db2.gz DKYQZRHOPCGGBS-NXEZZACHSA-N -1 0 318.395 -0.132 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000529112395 266384251 /nfs/dbraw/zinc/38/42/51/266384251.db2.gz BAYHJSGKYVXTGA-GHMZBOCLSA-N -1 0 320.411 -0.279 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000529687267 266393172 /nfs/dbraw/zinc/39/31/72/266393172.db2.gz CIWFMHDUMNMHMN-RYUDHWBXSA-N -1 0 319.317 -0.297 20 0 DBADRM CC1(c2nc(=NC(=O)Cn3ccc(=O)[nH]c3=O)s[n-]2)CC1 ZINC000529703991 266393599 /nfs/dbraw/zinc/39/35/99/266393599.db2.gz ULFVPARFDCXUCO-UHFFFAOYSA-N -1 0 307.335 -0.088 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000529768521 266399046 /nfs/dbraw/zinc/39/90/46/266399046.db2.gz SACLVPCRLUWTNM-MNOVXSKESA-N -1 0 316.317 -0.361 20 0 DBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)NCC[C@@H]1CCCO1 ZINC000530147757 266404162 /nfs/dbraw/zinc/40/41/62/266404162.db2.gz KNWMLQJBCBRTMA-QMMMGPOBSA-N -1 0 303.340 -0.034 20 0 DBADRM Cc1noc([C@H](C)NS(=O)(=O)c2c(C(=O)[O-])cnn2C)n1 ZINC000530148467 266405598 /nfs/dbraw/zinc/40/55/98/266405598.db2.gz FCPRONYKKLYQPM-YFKPBYRVSA-N -1 0 315.311 -0.151 20 0 DBADRM CC[C@@H]1COCCN1S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530149141 266405619 /nfs/dbraw/zinc/40/56/19/266405619.db2.gz LFLJLRFDHKVYFE-MRVPVSSYSA-N -1 0 303.340 -0.082 20 0 DBADRM COc1cncc(S(=O)(=O)N2CC[C@@](OC)(C(=O)[O-])C2)c1 ZINC000530154915 266405798 /nfs/dbraw/zinc/40/57/98/266405798.db2.gz XZFOXRAVXPDGNT-LBPRGKRZSA-N -1 0 316.335 -0.046 20 0 DBADRM COCCN(CCOC)S(=O)(=O)N1CC([C@@H](C)C(=O)[O-])C1 ZINC000530420363 266410674 /nfs/dbraw/zinc/41/06/74/266410674.db2.gz ICLOUOLUPGKIJS-SNVBAGLBSA-N -1 0 324.399 -0.522 20 0 DBADRM COC(=O)CC1(CS(=O)(=O)NC[C@@H](CC(=O)[O-])OC)CC1 ZINC000530541618 266412074 /nfs/dbraw/zinc/41/20/74/266412074.db2.gz UABHIESGQGVLFP-SECBINFHSA-N -1 0 323.367 -0.261 20 0 DBADRM CCOC(=O)c1cnn2c1nccc2C(=O)Nc1nnn[n-]1 ZINC000343126375 276303261 /nfs/dbraw/zinc/30/32/61/276303261.db2.gz AVQXOIDBSVABDL-UHFFFAOYSA-N -1 0 302.254 -0.329 20 0 DBADRM CC(C)[C@@H](C(=O)N(C)[C@@H](C)C(=O)[O-])N1CCCS1(=O)=O ZINC000263559889 279755028 /nfs/dbraw/zinc/75/50/28/279755028.db2.gz BFOZHBAXLIDHBM-UWVGGRQHSA-N -1 0 306.384 -0.022 20 0 DBADRM CC(C)[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C1)N1CCCS1(=O)=O ZINC000262097508 279775521 /nfs/dbraw/zinc/77/55/21/279775521.db2.gz HANUBHZJBULSKD-QWRGUYRKSA-N -1 0 318.395 -0.020 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)[C@H](C)n2cncn2)C1=O ZINC000358709182 280188542 /nfs/dbraw/zinc/18/85/42/280188542.db2.gz DVPRXPXEXXZXTG-GARJFASQSA-N -1 0 323.353 -0.335 20 0 DBADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000262956752 280527976 /nfs/dbraw/zinc/52/79/76/280527976.db2.gz LQWVGDIDISLONF-ZDUSSCGKSA-N -1 0 318.395 -0.019 20 0 DBADRM CCC(=O)N1CSC[C@H]1C(=O)N(CCOC)CC(=O)[O-] ZINC000262376432 281937380 /nfs/dbraw/zinc/93/73/80/281937380.db2.gz GFUOFDMIULYLKE-VIFPVBQESA-N -1 0 304.368 -0.143 20 0 DBADRM CN(C)C(=O)N1CCC(C(=O)N2CCOC[C@@H]2C(=O)[O-])CC1 ZINC000262317497 288975443 /nfs/dbraw/zinc/97/54/43/288975443.db2.gz QLUYLUISDJDDIS-LLVKDONJSA-N -1 0 313.354 -0.308 20 0 DBADRM CN(C)S(=O)(=O)CCCN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344135238 289235992 /nfs/dbraw/zinc/23/59/92/289235992.db2.gz FYZQVBSVTDQBDN-SNVBAGLBSA-N -1 0 317.415 -0.029 20 0 DBADRM CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)CCC(=O)[O-] ZINC000345191245 289253718 /nfs/dbraw/zinc/25/37/18/289253718.db2.gz BGRUADOSXDMNLO-JTQLQIEISA-N -1 0 321.399 -0.372 20 0 DBADRM CN1CCC[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1=O ZINC000359597965 289985297 /nfs/dbraw/zinc/98/52/97/289985297.db2.gz LZMGXLLSUYPOOI-VIFPVBQESA-N -1 0 317.305 -0.213 20 0 DBADRM CN1CCO[C@@H]2CN(S(=O)(=O)[N-]CC(F)(F)F)C[C@@H]21 ZINC000377657817 290098341 /nfs/dbraw/zinc/09/83/41/290098341.db2.gz YGVAQAZLVPTAQI-JGVFFNPUSA-N -1 0 303.306 -0.602 20 0 DBADRM CN1CC[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1=O ZINC000349148669 290144035 /nfs/dbraw/zinc/14/40/35/290144035.db2.gz KJJHMPSQFKOJIM-MRVPVSSYSA-N -1 0 303.278 -0.604 20 0 DBADRM CN1CC[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1=O ZINC000349148670 290213549 /nfs/dbraw/zinc/21/35/49/290213549.db2.gz KJJHMPSQFKOJIM-QMMMGPOBSA-N -1 0 303.278 -0.604 20 0 DBADRM CN1C[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1=O ZINC000349199982 290309130 /nfs/dbraw/zinc/30/91/30/290309130.db2.gz YYGHCXSNAZCWOZ-MRVPVSSYSA-N -1 0 317.305 -0.213 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)C[C@@H](C)O1 ZINC000224765586 297058964 /nfs/dbraw/zinc/05/89/64/297058964.db2.gz AVGVREZRDXJGOS-KKZNHRDASA-N -1 0 308.356 -0.826 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)C[C@H](C)O1 ZINC000224765633 297059062 /nfs/dbraw/zinc/05/90/62/297059062.db2.gz AVGVREZRDXJGOS-NGZCFLSTSA-N -1 0 308.356 -0.826 20 0 DBADRM CO[C@H](C)c1nc(=NC(=O)NC[C@@H](C)S(N)(=O)=O)s[n-]1 ZINC000350640926 294340395 /nfs/dbraw/zinc/34/03/95/294340395.db2.gz ZQSPFYTXUSSXSL-PHDIDXHHSA-N -1 0 323.400 -0.534 20 0 DBADRM CO[C@H](CNC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)[O-] ZINC000263065869 294430973 /nfs/dbraw/zinc/43/09/73/294430973.db2.gz IONRXGPBZDQIJS-GHMZBOCLSA-N -1 0 308.290 -0.008 20 0 DBADRM CO[C@H]1CC[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000188291767 294563119 /nfs/dbraw/zinc/56/31/19/294563119.db2.gz HFDJATGPPHLHSN-BDAKNGLRSA-N -1 0 304.306 -0.091 20 0 DBADRM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)c1cnc([O-])n(C)c1=O ZINC000288176931 294701905 /nfs/dbraw/zinc/70/19/05/294701905.db2.gz ATMPUZDLUHJBEM-WPCZNGEBSA-N -1 0 305.334 -0.019 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1COc2ccccc21 ZINC000277327886 295524546 /nfs/dbraw/zinc/52/45/46/295524546.db2.gz CGKCBLNJWKEZBM-SNVBAGLBSA-N -1 0 312.347 -0.255 20 0 DBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cnc([O-])n(C)c1=O ZINC000329374548 297265896 /nfs/dbraw/zinc/26/58/96/297265896.db2.gz LCHUUTRHVHYYPW-GHMZBOCLSA-N -1 0 322.365 -0.579 20 0 DBADRM C[C@@](O)(CNC(=O)CCS(=O)(=O)C1CCCC1)C(=O)[O-] ZINC000262381034 297850844 /nfs/dbraw/zinc/85/08/44/297850844.db2.gz KKJFUMAXNMNIEY-GFCCVEGCSA-N -1 0 307.368 -0.314 20 0 DBADRM C[C@H](C(=O)[N-]S(C)(=O)=O)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000407951951 298166694 /nfs/dbraw/zinc/16/66/94/298166694.db2.gz XWZXUAXCQXRLBX-HLTSFMKQSA-N -1 0 302.352 -0.374 20 0 DBADRM C[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@]2(CCCOC2)O1 ZINC000330064551 300205584 /nfs/dbraw/zinc/20/55/84/300205584.db2.gz CKASPHNDXDKHBJ-ZUZCIYMTSA-N -1 0 323.349 -0.104 20 0 DBADRM C[C@H]1OCC[C@H]1NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000333601998 300626977 /nfs/dbraw/zinc/62/69/77/300626977.db2.gz QQFBYWNSSANZPH-HLTSFMKQSA-N -1 0 306.340 -0.943 20 0 DBADRM C[C@]1(C(=O)[O-])CCCCN1S(=O)(=O)CCS(C)(=O)=O ZINC000132856863 300775992 /nfs/dbraw/zinc/77/59/92/300775992.db2.gz UXTOBXQFPJLTQD-SNVBAGLBSA-N -1 0 313.397 -0.310 20 0 DBADRM Cc1ccncc1N1CCN(C(=O)C(=O)NCCC(=O)[O-])CC1 ZINC000420585710 302289979 /nfs/dbraw/zinc/28/99/79/302289979.db2.gz BLXFMLLEVUBGMH-UHFFFAOYSA-N -1 0 320.349 -0.370 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000377115154 302395438 /nfs/dbraw/zinc/39/54/38/302395438.db2.gz OGQKFTHRXXZYFA-SECBINFHSA-N -1 0 303.340 -0.407 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000377115155 302395618 /nfs/dbraw/zinc/39/56/18/302395618.db2.gz OGQKFTHRXXZYFA-VIFPVBQESA-N -1 0 303.340 -0.407 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC[C@H]3C(=O)[O-])cnc21 ZINC000261827869 302897359 /nfs/dbraw/zinc/89/73/59/302897359.db2.gz ACQWBKQVKAADMG-VIFPVBQESA-N -1 0 318.289 -0.277 20 0 DBADRM Cn1ncc(Cl)c1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000227866545 303050122 /nfs/dbraw/zinc/05/01/22/303050122.db2.gz LHORTWAQEZAUSW-VDTYLAMSSA-N -1 0 309.731 -0.718 20 0 DBADRM NC(=O)c1ccc(CN2Cc3n[nH]c(=O)n3C[C@@H]2C(=O)[O-])cc1 ZINC000263057202 303343514 /nfs/dbraw/zinc/34/35/14/303343514.db2.gz LWRMNKWCESCLQW-SNVBAGLBSA-N -1 0 317.305 -0.861 20 0 DBADRM NC(=O)c1cccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])c1 ZINC000274948988 303347687 /nfs/dbraw/zinc/34/76/87/303347687.db2.gz HQYASOOPCDHDGR-VIFPVBQESA-N -1 0 316.360 -0.066 20 0 DBADRM Nc1ncc(Cl)cc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000370140670 303505231 /nfs/dbraw/zinc/50/52/31/303505231.db2.gz CCLBEUSYUAQVFT-SNVBAGLBSA-N -1 0 321.742 -0.161 20 0 DBADRM C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000570632389 332786316 /nfs/dbraw/zinc/78/63/16/332786316.db2.gz MLUROYZJSIVYPG-NOOOWODRSA-N -1 0 312.366 -0.215 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000570771822 332812911 /nfs/dbraw/zinc/81/29/11/332812911.db2.gz AUISDTGSDLSIHQ-MWLCHTKSSA-N -1 0 323.367 -0.573 20 0 DBADRM NC(=O)N[C@H](CC(=O)NCCc1nc(=O)o[n-]1)c1ccccc1 ZINC000570785424 332815427 /nfs/dbraw/zinc/81/54/27/332815427.db2.gz VBYODUUOIWJHFE-SNVBAGLBSA-N -1 0 319.321 -0.179 20 0 DBADRM C/C=C/C[C@@H](NC(=O)NCCNS(=O)(=O)CC)C(=O)[O-] ZINC000570890287 332836369 /nfs/dbraw/zinc/83/63/69/332836369.db2.gz CICCGBDZNZMJQJ-HYYFJVDXSA-N -1 0 307.372 -0.356 20 0 DBADRM C[C@@H](CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])S(C)(=O)=O ZINC000568620551 331789210 /nfs/dbraw/zinc/78/92/10/331789210.db2.gz GPAOHCGNMLAGMB-QMMMGPOBSA-N -1 0 322.383 -0.847 20 0 DBADRM C[C@@H]1CCN(C(=O)NCCNS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000584111201 331794219 /nfs/dbraw/zinc/79/42/19/331794219.db2.gz QOIMXDDMATUXCF-RKDXNWHRSA-N -1 0 307.372 -0.712 20 0 DBADRM Cc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cn1 ZINC000576403856 331821145 /nfs/dbraw/zinc/82/11/45/331821145.db2.gz ZVBKLGLVZWMTTI-UHFFFAOYSA-N -1 0 301.324 -0.741 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000573115609 331909961 /nfs/dbraw/zinc/90/99/61/331909961.db2.gz FANLDYDALRUPAJ-ZQARSLAVSA-N -1 0 301.324 -0.046 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)cn1 ZINC000566063886 331945872 /nfs/dbraw/zinc/94/58/72/331945872.db2.gz PDDSDQNHVAIKHN-JTQLQIEISA-N -1 0 313.339 -0.259 20 0 DBADRM COC(C)(C)CS(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000569488650 332103118 /nfs/dbraw/zinc/10/31/18/332103118.db2.gz DKGDFLQLRJXJRM-SECBINFHSA-N -1 0 305.356 -0.250 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000573729153 332272356 /nfs/dbraw/zinc/27/23/56/332272356.db2.gz PNXVVZQOGLXJRE-CYBMUJFWSA-N -1 0 311.382 -0.234 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)CCCCO)C[C@@H]1C(=O)[O-] ZINC000574084223 332317034 /nfs/dbraw/zinc/31/70/34/332317034.db2.gz KTFXWQSGNMIQAD-MNOVXSKESA-N -1 0 300.355 -0.214 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](C(=O)[O-])C(C)C)C1 ZINC000582125371 332342468 /nfs/dbraw/zinc/34/24/68/332342468.db2.gz PUNYZYQZBRTOAS-NXEZZACHSA-N -1 0 306.384 -0.117 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)[C@@H]1CCO[C@@H]1C)C(=O)[O-] ZINC000578366333 332354997 /nfs/dbraw/zinc/35/49/97/332354997.db2.gz XAVBZINXGOBTGU-IWSPIJDZSA-N -1 0 309.340 -0.510 20 0 DBADRM Cc1c(C(=O)N(C)CC(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000566799901 332572054 /nfs/dbraw/zinc/57/20/54/332572054.db2.gz LYXWWZHTNITWEA-UHFFFAOYSA-N -1 0 320.305 -0.903 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-] ZINC000581373497 332655429 /nfs/dbraw/zinc/65/54/29/332655429.db2.gz YOVWJSBYCUCGTB-DTWKUNHWSA-N -1 0 322.383 -0.643 20 0 DBADRM Cn1ccc(N2CCC[C@@H](NC(=O)C3(C(=O)[O-])CC3)C2=O)n1 ZINC000572725935 332663041 /nfs/dbraw/zinc/66/30/41/332663041.db2.gz BBEYFGULCJLXSS-SECBINFHSA-N -1 0 306.322 -0.104 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCc2cnn(C)c2)C[C@@H]1C(=O)[O-] ZINC000569847138 332685117 /nfs/dbraw/zinc/68/51/17/332685117.db2.gz CLQHQJPOOUGCMY-ONGXEEELSA-N -1 0 308.338 -0.395 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C(=O)[O-] ZINC000569847417 332685174 /nfs/dbraw/zinc/68/51/74/332685174.db2.gz VBMZTWGMTSYYGQ-ATZCPNFKSA-N -1 0 323.367 -0.168 20 0 DBADRM COCCn1cc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)cn1 ZINC000570253699 332730808 /nfs/dbraw/zinc/73/08/08/332730808.db2.gz IGBIOBGCGSXWSZ-BXKDBHETSA-N -1 0 315.351 -0.375 20 0 DBADRM COC(C)(C)CS(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000570284337 332735341 /nfs/dbraw/zinc/73/53/41/332735341.db2.gz GUUWFFJFKDNLMR-CVJBHZAOSA-N -1 0 313.397 -0.741 20 0 DBADRM CN(C)C(=O)NCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000570396740 332750092 /nfs/dbraw/zinc/75/00/92/332750092.db2.gz OVIKCPLJSLOKLU-UHFFFAOYSA-N -1 0 322.321 -0.289 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N(CCCO)Cc1ccccn1 ZINC000572763411 332759966 /nfs/dbraw/zinc/75/99/66/332759966.db2.gz YQOQMPPGRSLFNL-UHFFFAOYSA-N -1 0 323.349 -0.226 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)[C@H]1CCCS1(=O)=O ZINC000580216443 333016069 /nfs/dbraw/zinc/01/60/69/333016069.db2.gz YFMIVQOKHQVFPV-RKDXNWHRSA-N -1 0 307.393 -0.018 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NCCNC(=O)c1ccccc1 ZINC000580312271 333097657 /nfs/dbraw/zinc/09/76/57/333097657.db2.gz CQTGNRYIYRAFJK-UHFFFAOYSA-N -1 0 321.333 -0.486 20 0 DBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000582065680 333197222 /nfs/dbraw/zinc/19/72/22/333197222.db2.gz AXDFDWJCYADJKQ-RKDXNWHRSA-N -1 0 310.372 -0.786 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2CCCOCC2)cn1 ZINC000313630961 333395066 /nfs/dbraw/zinc/39/50/66/333395066.db2.gz ZGXZPLRBHLNXGV-SECBINFHSA-N -1 0 303.340 -0.185 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCOCC(F)F)C[C@H]1C(=O)[O-] ZINC000567887284 333400615 /nfs/dbraw/zinc/40/06/15/333400615.db2.gz GUIVLFKIPCAAHK-DTWKUNHWSA-N -1 0 322.308 -0.047 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000572838655 333690606 /nfs/dbraw/zinc/69/06/06/333690606.db2.gz GFYCJNVOHHQPLR-VIFPVBQESA-N -1 0 313.397 -0.453 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)C[C@@H](OC)C2CC2)CCOC1 ZINC000571399779 333782367 /nfs/dbraw/zinc/78/23/67/333782367.db2.gz FZCIHXLZYVJCGX-PWSUYJOCSA-N -1 0 307.368 -0.337 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000571562633 333816184 /nfs/dbraw/zinc/81/61/84/333816184.db2.gz RSLBVYWPKVAVAB-PWSUYJOCSA-N -1 0 322.365 -0.123 20 0 DBADRM COCC[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000216380864 335647086 /nfs/dbraw/zinc/64/70/86/335647086.db2.gz UXWQNQOOOLADIP-KXUCPTDWSA-N -1 0 310.372 -0.580 20 0 DBADRM CNC(=O)c1cccc(CNC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000584351478 336066490 /nfs/dbraw/zinc/06/64/90/336066490.db2.gz LBUXNFCFPJYVHG-UHFFFAOYSA-N -1 0 321.333 -0.357 20 0 DBADRM CN(C(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000580373345 336261543 /nfs/dbraw/zinc/26/15/43/336261543.db2.gz RORLZORORNJQFK-AUTRQRHGSA-N -1 0 302.352 -0.368 20 0 DBADRM COC(=O)Cn1cc(S(=O)(=O)NCC(C)(C)C(=O)[O-])cn1 ZINC000583677217 336396910 /nfs/dbraw/zinc/39/69/10/336396910.db2.gz VFMJASJGBXMQEQ-UHFFFAOYSA-N -1 0 319.339 -0.555 20 0 DBADRM COc1cccc(S([O-])=CC(=O)N[C@@H]2CC(=O)N(C)C2=O)c1 ZINC000582310392 336912319 /nfs/dbraw/zinc/91/23/19/336912319.db2.gz HIYZLOXRLPYZQW-XFNZEKPQSA-N -1 0 324.358 -0.324 20 0 DBADRM CCC[C@](C)(NC(=O)NCCNS(=O)(=O)CC)C(=O)[O-] ZINC000390151064 336934596 /nfs/dbraw/zinc/93/45/96/336934596.db2.gz JDXSDVJFGAAHFZ-NSHDSACASA-N -1 0 309.388 -0.132 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N(CC(=O)[O-])C1CCCC1 ZINC000390292523 336936104 /nfs/dbraw/zinc/93/61/04/336936104.db2.gz XJLWASSVACPCTN-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)CCCCCC(=O)[O-] ZINC000582484506 337097193 /nfs/dbraw/zinc/09/71/93/337097193.db2.gz LRZSCXLXYJASME-VIFPVBQESA-N -1 0 315.413 -0.016 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N2CCn3cncc3C2)C[C@@H]1C(=O)[O-] ZINC000582546689 337103326 /nfs/dbraw/zinc/10/33/26/337103326.db2.gz FFZPJGYIMKXLFJ-JQWIXIFHSA-N -1 0 320.349 -0.206 20 0 DBADRM CCn1cc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)cn1 ZINC000582582769 337109703 /nfs/dbraw/zinc/10/97/03/337109703.db2.gz KMZDLEGWAWCQMT-ONGXEEELSA-N -1 0 317.367 -0.251 20 0 DBADRM CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)Cn4cc(C(=O)[O-])nn4)[C@H]1[C@H]3C2 ZINC000394293528 337113691 /nfs/dbraw/zinc/11/36/91/337113691.db2.gz PWAVWVHMTLMEOW-GOTDPSQWSA-N -1 0 306.322 -0.142 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])nn1 ZINC000582788950 337166317 /nfs/dbraw/zinc/16/63/17/337166317.db2.gz PZQDZSDSJOAAMG-GZMMTYOYSA-N -1 0 310.310 -0.224 20 0 DBADRM CN1CC[C@H](NS(=O)(=O)c2cccc(CC(=O)[O-])c2)C1=O ZINC000582789522 337166589 /nfs/dbraw/zinc/16/65/89/337166589.db2.gz CVDADMRREFYUTQ-NSHDSACASA-N -1 0 312.347 -0.177 20 0 DBADRM CN(C(=O)CN1CCN(C(=O)C(=O)[O-])CC1)c1ccccc1 ZINC000396688639 337241859 /nfs/dbraw/zinc/24/18/59/337241859.db2.gz OIAWMHLXWKAIFF-UHFFFAOYSA-N -1 0 305.334 -0.122 20 0 DBADRM CC(=O)Nc1nc(CN2CCN(C(=O)C(=O)[O-])CC2)cs1 ZINC000396715825 337241966 /nfs/dbraw/zinc/24/19/66/337241966.db2.gz FHAAYPUNFLOREU-UHFFFAOYSA-N -1 0 312.351 -0.170 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCCCF ZINC000583162593 337248258 /nfs/dbraw/zinc/24/82/58/337248258.db2.gz FVRSVBULEKPIJB-QMMMGPOBSA-N -1 0 317.360 -0.751 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)O1 ZINC000583174965 337252746 /nfs/dbraw/zinc/25/27/46/337252746.db2.gz JNHZTTQWUOLVPX-KXUCPTDWSA-N -1 0 309.326 -0.374 20 0 DBADRM C[C@@H](O)C[C@@H](C)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000397640682 337277728 /nfs/dbraw/zinc/27/77/28/337277728.db2.gz CAAVEDLTBXBPQY-RKDXNWHRSA-N -1 0 305.356 -0.347 20 0 DBADRM Cn1cc(C[C@H]2CCN(C(=O)C(=O)NCCCC(=O)[O-])C2)cn1 ZINC000583322631 337315699 /nfs/dbraw/zinc/31/56/99/337315699.db2.gz RIEGLMWFRLZMKK-LLVKDONJSA-N -1 0 322.365 -0.208 20 0 DBADRM C[C@H]1CCN(C(=O)N2CCS(=O)(=O)CC2)C[C@@H]1C(=O)[O-] ZINC000583812829 337337351 /nfs/dbraw/zinc/33/73/51/337337351.db2.gz WIHBLYMTJKZHJW-UWVGGRQHSA-N -1 0 304.368 -0.121 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1F ZINC000035085406 337339370 /nfs/dbraw/zinc/33/93/70/337339370.db2.gz MDHKRQCRVBNLPZ-UHFFFAOYSA-N -1 0 324.717 -0.042 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC000584507639 337352342 /nfs/dbraw/zinc/35/23/42/337352342.db2.gz SJMHRCXDNORAOA-SECBINFHSA-N -1 0 321.399 -0.037 20 0 DBADRM CC(C)[C@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC000036970709 337361584 /nfs/dbraw/zinc/36/15/84/337361584.db2.gz DUWNEUMEWLRWSC-VIFPVBQESA-N -1 0 303.340 -0.489 20 0 DBADRM COc1ccccc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000036965414 337361413 /nfs/dbraw/zinc/36/14/13/337361413.db2.gz KVDBGPZQZBWXGV-SSDOTTSWSA-N -1 0 302.308 -0.698 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCOC[C@H]2C2CC2)cn1 ZINC000583869803 337362597 /nfs/dbraw/zinc/36/25/97/337362597.db2.gz JFGKHOVMTAGHDA-NSHDSACASA-N -1 0 315.351 -0.233 20 0 DBADRM O=C([O-])CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000037417459 337363539 /nfs/dbraw/zinc/36/35/39/337363539.db2.gz MBHVPQCEXJUCEV-UHFFFAOYSA-N -1 0 300.292 -0.230 20 0 DBADRM COc1cc(C)c(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1OC ZINC000037418711 337363693 /nfs/dbraw/zinc/36/36/93/337363693.db2.gz CWKAXVQKFXVPTR-MRVPVSSYSA-N -1 0 319.335 -0.264 20 0 DBADRM COCCOc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000037418701 337363709 /nfs/dbraw/zinc/36/37/09/337363709.db2.gz KWPZTEFMACWUNP-NSHDSACASA-N -1 0 319.335 -0.564 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C1 ZINC000037462961 337363925 /nfs/dbraw/zinc/36/39/25/337363925.db2.gz SFECHTCEIJOSSC-BBBLOLIVSA-N -1 0 321.399 -0.483 20 0 DBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCCCC(=O)[O-])C1 ZINC000037465279 337364069 /nfs/dbraw/zinc/36/40/69/337364069.db2.gz MPMZBTGRJWOLNF-JTQLQIEISA-N -1 0 322.383 -0.039 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1cccc2nsnc21 ZINC000037374787 337364855 /nfs/dbraw/zinc/36/48/55/337364855.db2.gz RVQOIOVOOHBTTD-ZCFIWIBFSA-N -1 0 303.321 -0.585 20 0 DBADRM C[C@@H]1Cc2cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])ccc2O1 ZINC000571895530 337581275 /nfs/dbraw/zinc/58/12/75/337581275.db2.gz RXXYPLLXKCKJPP-GMSGAONNSA-N -1 0 301.320 -0.266 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000571896230 337581281 /nfs/dbraw/zinc/58/12/81/337581281.db2.gz ZJJBYQGIVPCVBM-VHSXEESVSA-N -1 0 317.367 -0.425 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@H](CCO)C(=O)[O-])CCC1 ZINC000571903563 337581697 /nfs/dbraw/zinc/58/16/97/337581697.db2.gz FKINLYBIPXERIC-MRVPVSSYSA-N -1 0 309.340 -0.915 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCOCC(F)(F)F ZINC000571916211 337582858 /nfs/dbraw/zinc/58/28/58/337582858.db2.gz WNPVVXDTUMDMHS-ZETCQYMHSA-N -1 0 320.289 -0.051 20 0 DBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cnn3c2OCCC3)CCO1 ZINC000572034013 337587470 /nfs/dbraw/zinc/58/74/70/337587470.db2.gz OXDNMBVJDXDRNF-MRVPVSSYSA-N -1 0 317.323 -0.860 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2CCC(CCC(=O)[O-])CC2)c1=O ZINC000320347306 337595565 /nfs/dbraw/zinc/59/55/65/337595565.db2.gz DTNCQOIZUGTXDZ-UHFFFAOYSA-N -1 0 323.349 -0.350 20 0 DBADRM COC(=O)[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1)OC ZINC000572243135 337599949 /nfs/dbraw/zinc/59/99/49/337599949.db2.gz NCCUKGBACYISAG-SNVBAGLBSA-N -1 0 324.289 -0.373 20 0 DBADRM O=C(CNC(=O)c1ccco1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000546602744 341174299 /nfs/dbraw/zinc/17/42/99/341174299.db2.gz ZVMLKYNWNXOKJV-VIFPVBQESA-N -1 0 304.310 -0.071 20 0 DBADRM CCN(CC)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000566047066 341546352 /nfs/dbraw/zinc/54/63/52/341546352.db2.gz WLSLZYVOBMLLQN-ZYHUDNBSSA-N -1 0 306.384 -0.004 20 0 DBADRM CC[C@](C)(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-] ZINC000566173025 341549871 /nfs/dbraw/zinc/54/98/71/341549871.db2.gz IICAHADWFBDZRN-VIFPVBQESA-N -1 0 316.401 -0.902 20 0 DBADRM CNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)C(=O)[O-])s1 ZINC000566212458 341550789 /nfs/dbraw/zinc/55/07/89/341550789.db2.gz VXKIYIJVZASNIX-LURJTMIESA-N -1 0 306.365 -0.007 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2ncn(C)n2)C[C@@H]1C(=O)[O-] ZINC000566241035 341551701 /nfs/dbraw/zinc/55/17/01/341551701.db2.gz QKAGDSJUDMZCOG-BDAKNGLRSA-N -1 0 309.326 -1.000 20 0 DBADRM COCCN(CCC(=O)[O-])S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000566313406 341553828 /nfs/dbraw/zinc/55/38/28/341553828.db2.gz VWZJEANFPBHKEB-SECBINFHSA-N -1 0 310.372 -0.784 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC000566694049 341565515 /nfs/dbraw/zinc/56/55/15/341565515.db2.gz OWXOCNGETRYPEL-SECBINFHSA-N -1 0 305.356 -0.425 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2)C(=O)[O-] ZINC000566737758 341566704 /nfs/dbraw/zinc/56/67/04/341566704.db2.gz NSMFQYIFTHWJQF-MRVPVSSYSA-N -1 0 321.289 -0.065 20 0 DBADRM COc1cncc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000566970806 341573022 /nfs/dbraw/zinc/57/30/22/341573022.db2.gz AZHGELVKRSEKRY-SNVBAGLBSA-N -1 0 302.308 -0.436 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000567166784 341583962 /nfs/dbraw/zinc/58/39/62/341583962.db2.gz OZNPPKSSXVILIF-MRVPVSSYSA-N -1 0 305.290 -0.330 20 0 DBADRM Cc1ccc(CS(=O)(=O)NCC(=O)NCC(=O)[O-])c(F)c1 ZINC000567506129 341611134 /nfs/dbraw/zinc/61/11/34/341611134.db2.gz FAGNHZDVRHRWAA-UHFFFAOYSA-N -1 0 318.326 -0.246 20 0 DBADRM CN(CCOCCO)c1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000314106223 341643762 /nfs/dbraw/zinc/64/37/62/341643762.db2.gz FNCBPHVQCAJRHX-UHFFFAOYSA-N -1 0 318.351 -0.523 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])nn1 ZINC000568042733 341647548 /nfs/dbraw/zinc/64/75/48/341647548.db2.gz QMVJWFBAWDOCPG-JTQLQIEISA-N -1 0 323.353 -0.403 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC000568415388 341670739 /nfs/dbraw/zinc/67/07/39/341670739.db2.gz RMAUFMOUQJWMAX-MFKMUULPSA-N -1 0 319.379 -0.097 20 0 DBADRM Cc1c(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C(=O)[O-])cnn1C ZINC000568632339 341677063 /nfs/dbraw/zinc/67/70/63/341677063.db2.gz NKAXHLMXHRYDJA-JVUFJMBOSA-N -1 0 317.367 -0.020 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCn3ncnc3C2)C[C@H]1C(=O)[O-] ZINC000569103488 341690879 /nfs/dbraw/zinc/69/08/79/341690879.db2.gz IVNXBJJGZHPDKZ-NXEZZACHSA-N -1 0 321.337 -0.811 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-] ZINC000569203506 341693946 /nfs/dbraw/zinc/69/39/46/341693946.db2.gz PWUWTCVDOCUCQT-RKDXNWHRSA-N -1 0 323.367 -0.311 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-] ZINC000569203505 341694010 /nfs/dbraw/zinc/69/40/10/341694010.db2.gz PWUWTCVDOCUCQT-IUCAKERBSA-N -1 0 323.367 -0.311 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CCc1scnc1C)[C@@H](C)O ZINC000569238053 341695168 /nfs/dbraw/zinc/69/51/68/341695168.db2.gz ONNAZGPBAWYPQQ-SCZZXKLOSA-N -1 0 322.408 -0.164 20 0 DBADRM Cc1noc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000573120280 341717618 /nfs/dbraw/zinc/71/76/18/341717618.db2.gz KTHDRZKOKIUOHL-VXNVDRBHSA-N -1 0 310.310 -0.437 20 0 DBADRM CCOc1ccncc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000573925466 341743426 /nfs/dbraw/zinc/74/34/26/341743426.db2.gz ZZMKGTOJNJVTJJ-ZETCQYMHSA-N -1 0 317.323 -0.913 20 0 DBADRM O=C([O-])CN(C1CC1)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000574014796 341745960 /nfs/dbraw/zinc/74/59/60/341745960.db2.gz SBPCPHUELMMFIK-UHFFFAOYSA-N -1 0 323.334 -0.100 20 0 DBADRM C[C@@H]1CCN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C[C@@H]1C(=O)[O-] ZINC000574154363 341750322 /nfs/dbraw/zinc/75/03/22/341750322.db2.gz FLAHRXZHJVZKNM-VPOLOUISSA-N -1 0 313.354 -0.229 20 0 DBADRM CO[C@@H]1CCN(C(=O)CN2CSCC2=O)[C@H](C(=O)[O-])C1 ZINC000574220533 341752300 /nfs/dbraw/zinc/75/23/00/341752300.db2.gz LHRFKSMICFDTSE-BDAKNGLRSA-N -1 0 302.352 -0.390 20 0 DBADRM C[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C[C@@H]1C(=O)[O-] ZINC000576466562 341847775 /nfs/dbraw/zinc/84/77/75/341847775.db2.gz STWRKVSNAWFXLS-UWVGGRQHSA-N -1 0 306.384 -0.163 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)NCCCC(=O)[O-])C1 ZINC000576515865 341850190 /nfs/dbraw/zinc/85/01/90/341850190.db2.gz ZDMMQUSPEGVNBL-SECBINFHSA-N -1 0 307.372 -0.568 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CCOCC2)[C@H](C(=O)[O-])CO1 ZINC000576597566 341854540 /nfs/dbraw/zinc/85/45/40/341854540.db2.gz BJFIKUBRINAUFY-VIFPVBQESA-N -1 0 308.356 -0.873 20 0 DBADRM COc1ccc(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])cn1 ZINC000577285329 341902589 /nfs/dbraw/zinc/90/25/89/341902589.db2.gz LDAYGBNVGXBKRQ-VIFPVBQESA-N -1 0 318.351 -0.064 20 0 DBADRM CC(C)Oc1cncc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000577721494 341931592 /nfs/dbraw/zinc/93/15/92/341931592.db2.gz KYBLUNUZMSVVCD-SECBINFHSA-N -1 0 315.351 -0.048 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C(=O)[O-])C1 ZINC000262475294 533956453 /nfs/dbraw/zinc/95/64/53/533956453.db2.gz JONRMZWUULRXRG-ZJUUUORDSA-N -1 0 309.322 -0.741 20 0 DBADRM CC(=O)c1c(C)[nH]c(C([O-])=CS(=O)(=O)C[C@H](O)CO)c1C ZINC000267378013 518222750 /nfs/dbraw/zinc/22/27/50/518222750.db2.gz ZJBLSJDLTZUKCK-SNVBAGLBSA-N -1 0 317.363 -0.215 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)/C=C/c1ccc(Cl)nc1 ZINC000492599532 534344497 /nfs/dbraw/zinc/34/44/97/534344497.db2.gz XJXDPCKZQNGYCK-DUXPYHPUSA-N -1 0 303.727 -0.321 20 0 DBADRM O=C(CCCNC(=O)c1ccco1)NCCc1nc(=O)o[n-]1 ZINC000447637150 534355592 /nfs/dbraw/zinc/35/55/92/534355592.db2.gz QLVZMUCQPJZTSB-UHFFFAOYSA-N -1 0 308.294 -0.175 20 0 DBADRM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262444939 518570582 /nfs/dbraw/zinc/57/05/82/518570582.db2.gz DBESCAKNMDPMQG-ISVAXAHUSA-N -1 0 318.395 -0.114 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000338117537 518621052 /nfs/dbraw/zinc/62/10/52/518621052.db2.gz OFXPLZOQLSMWDN-UHFFFAOYSA-N -1 0 317.371 -0.301 20 0 DBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263171420 518930453 /nfs/dbraw/zinc/93/04/53/518930453.db2.gz GACXSAGPZSVXEY-YIZRAAEISA-N -1 0 306.384 -0.070 20 0 DBADRM CC(C)N(CC(=O)[O-])C(=O)CSCC(=O)N1CCOCC1 ZINC000037993914 519637102 /nfs/dbraw/zinc/63/71/02/519637102.db2.gz CRKIOTVONAOMOZ-UHFFFAOYSA-N -1 0 318.395 -0.100 20 0 DBADRM CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCc1nc(=O)o[n-]1 ZINC000363812304 519640398 /nfs/dbraw/zinc/64/03/98/519640398.db2.gz CXOKABQYQWCFAV-LBPRGKRZSA-N -1 0 316.317 -0.001 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000344439561 519652212 /nfs/dbraw/zinc/65/22/12/519652212.db2.gz IRKBWQXLOQKRAR-UHFFFAOYSA-N -1 0 307.306 -0.747 20 0 DBADRM CC(C)CN1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1=O ZINC000275210952 519725398 /nfs/dbraw/zinc/72/53/98/519725398.db2.gz FUSDDXSWSCZZME-UHFFFAOYSA-N -1 0 308.338 -0.574 20 0 DBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cn(C)cn2)C1=O ZINC000343989051 519810125 /nfs/dbraw/zinc/81/01/25/519810125.db2.gz PHKAFOCLQZWXFQ-MWLCHTKSSA-N -1 0 308.338 -0.140 20 0 DBADRM CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H](COC)C(=O)[O-] ZINC000263154350 519869927 /nfs/dbraw/zinc/86/99/27/519869927.db2.gz ZJFHSQXPZMADQQ-RKDXNWHRSA-N -1 0 304.368 -0.096 20 0 DBADRM CCCNC(=O)[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000267558703 519890214 /nfs/dbraw/zinc/89/02/14/519890214.db2.gz GQSOJJZWFVDABE-SNVBAGLBSA-N -1 0 322.365 -0.136 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262655110 520051060 /nfs/dbraw/zinc/05/10/60/520051060.db2.gz KMVLOBIFVNHVEF-SNVBAGLBSA-N -1 0 322.383 -0.735 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC ZINC000261668376 520053738 /nfs/dbraw/zinc/05/37/38/520053738.db2.gz GNWDUWSFBNICSP-ONGXEEELSA-N -1 0 324.399 -0.442 20 0 DBADRM CCCS(=O)(=O)CC(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000332420384 520505120 /nfs/dbraw/zinc/50/51/20/520505120.db2.gz RWWCUTUTMOEUFM-UHFFFAOYSA-N -1 0 301.372 -0.090 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)NCCCC(=O)[O-])CC1 ZINC000036983847 520578896 /nfs/dbraw/zinc/57/88/96/520578896.db2.gz GGTBXOMMZBXLJI-UHFFFAOYSA-N -1 0 322.383 -0.039 20 0 DBADRM CCC[C@@H](NC(=O)CNS(=O)(=O)CCOCC)C(=O)[O-] ZINC000262371062 520731175 /nfs/dbraw/zinc/73/11/75/520731175.db2.gz LTSRDDWPYNOCOO-SECBINFHSA-N -1 0 310.372 -0.688 20 0 DBADRM CCC[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1nnn[n-]1 ZINC000343761302 520731529 /nfs/dbraw/zinc/73/15/29/520731529.db2.gz GLJMSHYKMZIRFI-SSDOTTSWSA-N -1 0 309.330 -0.513 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000262393872 520762717 /nfs/dbraw/zinc/76/27/17/520762717.db2.gz GIICXDCQCKSWKS-UHFFFAOYSA-N -1 0 306.384 -0.019 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N[C@H](CCOC)C(=O)[O-] ZINC000262282900 520766891 /nfs/dbraw/zinc/76/68/91/520766891.db2.gz JLOXTJADRNODFM-SECBINFHSA-N -1 0 310.372 -0.736 20 0 DBADRM CCC[C@H](C)N1C[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])CC1=O ZINC000262466286 521043313 /nfs/dbraw/zinc/04/33/13/521043313.db2.gz YHKPGHJDUCVDQE-IMSIIYSGSA-N -1 0 300.355 -0.025 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000267558689 521110747 /nfs/dbraw/zinc/11/07/47/521110747.db2.gz GPGYUIGOTUNBGK-SECBINFHSA-N -1 0 309.322 -0.099 20 0 DBADRM CCC[C@H](NC(=O)[C@@H]1CC(=O)N(CCOC)C1)c1nnn[n-]1 ZINC000343736534 521138397 /nfs/dbraw/zinc/13/83/97/521138397.db2.gz VPDOQAUOXSJROU-ZJUUUORDSA-N -1 0 310.358 -0.348 20 0 DBADRM CCOC(=O)[C@H]1CC[C@@H](C(=O)OCC)N1Cc1n[nH]c(=O)[n-]1 ZINC000338321052 521312796 /nfs/dbraw/zinc/31/27/96/521312796.db2.gz GENFWCCUSFKAOX-DTORHVGOSA-N -1 0 312.326 -0.031 20 0 DBADRM CCCc1nc(=NC(=O)N2CC[C@H](S(N)(=O)=O)C2)s[n-]1 ZINC000330868354 521468658 /nfs/dbraw/zinc/46/86/58/521468658.db2.gz WEONVLVIKZHYPD-ZETCQYMHSA-N -1 0 319.412 -0.193 20 0 DBADRM CCS(=O)(=O)NCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263579373 521671726 /nfs/dbraw/zinc/67/17/26/521671726.db2.gz UPNMKRSGFZFJHI-UHFFFAOYSA-N -1 0 300.336 -0.060 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)NCCCCC(=O)[O-])cn1C ZINC000070199957 521790862 /nfs/dbraw/zinc/79/08/62/521790862.db2.gz WYCQQKCXCRPYQA-UHFFFAOYSA-N -1 0 317.367 -0.082 20 0 DBADRM CC[C@H](C)[C@H](O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000155745990 521997911 /nfs/dbraw/zinc/99/79/11/521997911.db2.gz FZXNXJYDEFNHQK-OIBJUYFYSA-N -1 0 306.322 -0.252 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000036968611 522251532 /nfs/dbraw/zinc/25/15/32/522251532.db2.gz GQUXWMHGZYEPER-SECBINFHSA-N -1 0 303.292 -0.803 20 0 DBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000037418238 522295143 /nfs/dbraw/zinc/29/51/43/522295143.db2.gz GHWOUQVWIRQRPG-SSDOTTSWSA-N -1 0 322.364 -0.654 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000262592733 522445549 /nfs/dbraw/zinc/44/55/49/522445549.db2.gz IDDKUAYTUSMQAY-UHFFFAOYSA-N -1 0 307.306 -0.289 20 0 DBADRM CN(CC(=O)NCc1nc(C(=O)[O-])cs1)S(C)(=O)=O ZINC000262454233 522489909 /nfs/dbraw/zinc/48/99/09/522489909.db2.gz SKHBFNHWGCDOKY-UHFFFAOYSA-N -1 0 307.353 -0.651 20 0 DBADRM CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])S(C)(=O)=O ZINC000262262062 522490448 /nfs/dbraw/zinc/49/04/48/522490448.db2.gz UTWGAACEWHEQOH-NSHDSACASA-N -1 0 314.363 -0.310 20 0 DBADRM CN(CC(=O)N[C@@H](C(=O)[O-])c1ccccc1)S(C)(=O)=O ZINC000262001523 522491691 /nfs/dbraw/zinc/49/16/91/522491691.db2.gz HHCKPWAGRJIKBF-LLVKDONJSA-N -1 0 300.336 -0.180 20 0 DBADRM COC[C@@](C)(NC(=O)CNC(=O)NCc1ccco1)C(=O)[O-] ZINC000262212617 522525985 /nfs/dbraw/zinc/52/59/85/522525985.db2.gz SFRGDVRTQXNGJT-CYBMUJFWSA-N -1 0 313.310 -0.315 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-][C@H](C(=O)OC)c1ccn(C)n1 ZINC000345648630 522644131 /nfs/dbraw/zinc/64/41/31/522644131.db2.gz XVRWKBRZGFOXQJ-WPRPVWTQSA-N -1 0 305.356 -0.412 20 0 DBADRM CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000262818099 522680308 /nfs/dbraw/zinc/68/03/08/522680308.db2.gz VNIIECGOOXKSNZ-SNVBAGLBSA-N -1 0 315.351 -0.319 20 0 DBADRM COCC(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000261958824 522743493 /nfs/dbraw/zinc/74/34/93/522743493.db2.gz MGVHWZLMCRQESK-UHFFFAOYSA-N -1 0 307.306 -0.289 20 0 DBADRM COC[C@](C)(NC(=O)c1nc2nc(C)cc(C)n2n1)C(=O)[O-] ZINC000262183255 522886240 /nfs/dbraw/zinc/88/62/40/522886240.db2.gz IZJOPBGXXPRGDX-ZDUSSCGKSA-N -1 0 307.310 -0.039 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N(C)CCCC(=O)[O-] ZINC000262046471 523429513 /nfs/dbraw/zinc/42/95/13/523429513.db2.gz BCWQJXASZIUTGG-UHFFFAOYSA-N -1 0 310.372 -0.735 20 0 DBADRM COC(=O)[C@@H](CO)NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000263751187 523589716 /nfs/dbraw/zinc/58/97/16/523589716.db2.gz XMZZBNXTOOLZJU-SNVBAGLBSA-N -1 0 316.335 -0.678 20 0 DBADRM COc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1OCCO ZINC000344876071 523715024 /nfs/dbraw/zinc/71/50/24/523715024.db2.gz CUVDBVMQCOMELE-UHFFFAOYSA-N -1 0 308.294 -0.180 20 0 DBADRM CN1CCOC[C@@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000329207346 523935252 /nfs/dbraw/zinc/93/52/52/523935252.db2.gz XQYOHXKRSYOKRS-LLVKDONJSA-N -1 0 304.310 -0.363 20 0 DBADRM O=C(N[C@@H]1CC[C@H]1O)c1cccc(C(=O)N[C@@H]2CC[C@H]2O)c1[O-] ZINC000425043002 534771121 /nfs/dbraw/zinc/77/11/21/534771121.db2.gz KHDVOIDECDESMI-FDYHWXHSSA-N -1 0 320.345 -0.102 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000263322765 524290391 /nfs/dbraw/zinc/29/03/91/524290391.db2.gz RTQTZBZRDXEJKA-VIFPVBQESA-N -1 0 315.351 -0.366 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H](CO)O1 ZINC000347694021 524880773 /nfs/dbraw/zinc/88/07/73/524880773.db2.gz QGRVRVGYSXARPP-APPZFPTMSA-N -1 0 320.305 -0.342 20 0 DBADRM COc1cnc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)nc1 ZINC000337321578 524908168 /nfs/dbraw/zinc/90/81/68/524908168.db2.gz ZLRJFUWHGIWAJO-UHFFFAOYSA-N -1 0 311.323 -0.277 20 0 DBADRM C[C@](O)(CNC(=O)CNC(=O)NC1CCCCC1)C(=O)[O-] ZINC000262433846 525171557 /nfs/dbraw/zinc/17/15/57/525171557.db2.gz SUHPRMIIZYAFTI-ZDUSSCGKSA-N -1 0 301.343 -0.430 20 0 DBADRM CS(=O)(=O)NCCNC(=O)CCc1ccccc1C(=O)[O-] ZINC000262230362 525194390 /nfs/dbraw/zinc/19/43/90/525194390.db2.gz SJKBNNYVZJJPOY-UHFFFAOYSA-N -1 0 314.363 -0.017 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000263304462 525230381 /nfs/dbraw/zinc/23/03/81/525230381.db2.gz XNAZBWOYTBJREB-ZDUSSCGKSA-N -1 0 309.326 -0.354 20 0 DBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NCCC(=O)[O-])cn1 ZINC000262449110 525265309 /nfs/dbraw/zinc/26/53/09/525265309.db2.gz JKTOSVSKIMIVIT-UHFFFAOYSA-N -1 0 308.337 -0.762 20 0 DBADRM CS(=O)(=O)c1nc(NC(=O)CCOC[C@H]2CCCO2)n[n-]1 ZINC000338118570 525281233 /nfs/dbraw/zinc/28/12/33/525281233.db2.gz VYLUILNUIJMDPN-MRVPVSSYSA-N -1 0 318.355 -0.268 20 0 DBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N(C)CC(N)=O ZINC000037268740 525310624 /nfs/dbraw/zinc/31/06/24/525310624.db2.gz DIEYDCQEKLLBDC-UHFFFAOYSA-N -1 0 302.308 -0.495 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@](O)(C3CC3)C2)C1 ZINC000331586910 525364732 /nfs/dbraw/zinc/36/47/32/525364732.db2.gz XLFBTQMQKKSYAN-OHUAYANFSA-N -1 0 324.377 -0.071 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCNC(=O)C2)cc(C(=O)[O-])c1F ZINC000158919462 525398541 /nfs/dbraw/zinc/39/85/41/525398541.db2.gz LQPFKNIMZUFYQH-UHFFFAOYSA-N -1 0 316.310 -0.047 20 0 DBADRM C[C@@](O)(CNC(=O)CN1C(=O)COc2ccccc21)C(=O)[O-] ZINC000262385847 525768790 /nfs/dbraw/zinc/76/87/90/525768790.db2.gz LICFIMLYTOJVRH-CQSZACIVSA-N -1 0 308.290 -0.636 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1cccc2nonc21)C(=O)[O-] ZINC000263476505 525776637 /nfs/dbraw/zinc/77/66/37/525776637.db2.gz JKVZMEGSWUZDAK-SNVBAGLBSA-N -1 0 301.280 -0.663 20 0 DBADRM C[C@@](O)(CO)CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000348341726 525780055 /nfs/dbraw/zinc/78/00/55/525780055.db2.gz GJTAMAMSJLVIQU-LBPRGKRZSA-N -1 0 320.342 -0.330 20 0 DBADRM COc1cccc(C(=O)NCC(=O)NC[C@H](OC)C(=O)[O-])c1 ZINC000263039557 525814073 /nfs/dbraw/zinc/81/40/73/525814073.db2.gz DIFBTHNHDQIUCP-NSHDSACASA-N -1 0 310.306 -0.359 20 0 DBADRM C[C@H](C(=O)N1CCC(C)CC1)S(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000350184876 525956901 /nfs/dbraw/zinc/95/69/01/525956901.db2.gz RUJOCDVCGXHEAJ-MRVPVSSYSA-N -1 0 302.356 -0.069 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000262877847 526180096 /nfs/dbraw/zinc/18/00/96/526180096.db2.gz KRKDEAHVMMAVPG-SSDOTTSWSA-N -1 0 320.305 -0.823 20 0 DBADRM C[C@H](CC(=O)[O-])NS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000270512285 526252386 /nfs/dbraw/zinc/25/23/86/526252386.db2.gz PNJWCYOTBMUCCU-MRVPVSSYSA-N -1 0 311.323 -0.196 20 0 DBADRM Cc1cc(C(=O)N2CCNC(=O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000344239317 526255209 /nfs/dbraw/zinc/25/52/09/526255209.db2.gz LBDNTGHQNMTLFC-UHFFFAOYSA-N -1 0 303.278 -0.684 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000261696976 526275210 /nfs/dbraw/zinc/27/52/10/526275210.db2.gz NOTUBZLRUCWKEN-NSHDSACASA-N -1 0 323.334 -0.100 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)C1 ZINC000331779326 526278488 /nfs/dbraw/zinc/27/84/88/526278488.db2.gz KSHGRHCFMPTGRE-MNOVXSKESA-N -1 0 321.337 -0.625 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000262729843 526296395 /nfs/dbraw/zinc/29/63/95/526296395.db2.gz HXZVEHPPLJDXGC-CYBMUJFWSA-N -1 0 308.269 -0.479 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)C1 ZINC000331962801 526326105 /nfs/dbraw/zinc/32/61/05/526326105.db2.gz PROAANVGNOGRDE-DCAQKATOSA-N -1 0 323.349 -0.811 20 0 DBADRM O=C(NCCOCC(F)F)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000188052233 526350806 /nfs/dbraw/zinc/35/08/06/526350806.db2.gz PBBNCNWYHLFYPL-UHFFFAOYSA-N -1 0 314.248 -0.377 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1F ZINC000273800767 526381852 /nfs/dbraw/zinc/38/18/52/526381852.db2.gz XAFJSYAUHVZWAT-UHFFFAOYSA-N -1 0 302.283 -0.356 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCNC(=O)C2)c(F)c1 ZINC000092114033 526382206 /nfs/dbraw/zinc/38/22/06/526382206.db2.gz OMHCCZSSABVJNW-UHFFFAOYSA-N -1 0 302.283 -0.356 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)[N-]OCCCO ZINC000497131935 526439563 /nfs/dbraw/zinc/43/95/63/526439563.db2.gz PBASQTLIOLJXRB-UHFFFAOYSA-N -1 0 305.331 -0.943 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)[N-]OCC(C)(C)O ZINC000497297726 526440572 /nfs/dbraw/zinc/44/05/72/526440572.db2.gz ZCOXRGJHFZTNSC-UHFFFAOYSA-N -1 0 319.358 -0.554 20 0 DBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCC(=O)[O-] ZINC000262188697 526555609 /nfs/dbraw/zinc/55/56/09/526555609.db2.gz GNFBHAARHUAPAD-ZETCQYMHSA-N -1 0 319.339 -0.451 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCN(C)C1=O ZINC000230953051 526762273 /nfs/dbraw/zinc/76/22/73/526762273.db2.gz WEWCDTWPRZXZLN-SSDOTTSWSA-N -1 0 302.308 -0.205 20 0 DBADRM Cc1oc(CNS(=O)(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000038059951 526774209 /nfs/dbraw/zinc/77/42/09/526774209.db2.gz UPQRGKSESWNPCR-UHFFFAOYSA-N -1 0 304.324 -0.047 20 0 DBADRM O=C(N[C@@H](CO)[C@@H]1CCCO1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000344917496 526861079 /nfs/dbraw/zinc/86/10/79/526861079.db2.gz WXUIWSOAAFADDK-UWVGGRQHSA-N -1 0 320.305 -0.294 20 0 DBADRM NC(=O)COc1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)cc1 ZINC000343550390 526891992 /nfs/dbraw/zinc/89/19/92/526891992.db2.gz GALIHXGBCJVZAW-UHFFFAOYSA-N -1 0 319.321 -0.263 20 0 DBADRM NC(=O)COc1cccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000345901433 526894540 /nfs/dbraw/zinc/89/45/40/526894540.db2.gz HWCPEDLKPVJHMN-CQSZACIVSA-N -1 0 308.290 -0.476 20 0 DBADRM NC(=O)[C@@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CCO1 ZINC000050925763 526980047 /nfs/dbraw/zinc/98/00/47/526980047.db2.gz OLBHUXGGRSMQFW-LBPRGKRZSA-N -1 0 303.322 -0.341 20 0 DBADRM Cc1nc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)cn1C ZINC000344334959 527014046 /nfs/dbraw/zinc/01/40/46/527014046.db2.gz ISMHXZMGFMIPNC-UHFFFAOYSA-N -1 0 312.355 -0.399 20 0 DBADRM O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000344247859 527019656 /nfs/dbraw/zinc/01/96/56/527019656.db2.gz DWQLYHJCYOQOBY-VIFPVBQESA-N -1 0 316.273 -0.435 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])c1=O ZINC000262726797 527034611 /nfs/dbraw/zinc/03/46/11/527034611.db2.gz GTUIUBLBCVTDIF-ZUZCIYMTSA-N -1 0 323.349 -0.303 20 0 DBADRM Cn1cc(CCNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cn1 ZINC000108274680 527193615 /nfs/dbraw/zinc/19/36/15/527193615.db2.gz YJNRBWWLLUXEJT-UHFFFAOYSA-N -1 0 312.351 -0.022 20 0 DBADRM O=C(Cn1ccc(=O)[nH]c1=O)NC1(c2nnn[n-]2)CCCC1 ZINC000345550717 527376863 /nfs/dbraw/zinc/37/68/63/527376863.db2.gz XIWPUIUVNOKSKE-UHFFFAOYSA-N -1 0 305.298 -0.952 20 0 DBADRM O=C([O-])CCNC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000262199839 527590360 /nfs/dbraw/zinc/59/03/60/527590360.db2.gz IFFNPNBULOCMQM-UHFFFAOYSA-N -1 0 300.336 -0.054 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC000347516286 527604071 /nfs/dbraw/zinc/60/40/71/527604071.db2.gz KLCUPSSZBOQYRD-XVKPBYJWSA-N -1 0 309.322 -0.080 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]c1ccccc1S(N)(=O)=O ZINC000134279384 527622360 /nfs/dbraw/zinc/62/23/60/527622360.db2.gz XAHQTMFLUMCHSB-UHFFFAOYSA-N -1 0 316.364 -0.132 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)CC(=O)NCC(F)(F)F)CCO1 ZINC000262804771 527636195 /nfs/dbraw/zinc/63/61/95/527636195.db2.gz SEVLBNAFFPOEFL-ZETCQYMHSA-N -1 0 312.244 -0.243 20 0 DBADRM O=C([O-])[C@@H](CC1CC1)NC(=O)CCN1CCCS1(=O)=O ZINC000262225661 527643998 /nfs/dbraw/zinc/64/39/98/527643998.db2.gz NNZLFNQNFOZXKY-SNVBAGLBSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000037406707 527647180 /nfs/dbraw/zinc/64/71/80/527647180.db2.gz GUCXGHOENLZYEC-SECBINFHSA-N -1 0 317.319 -0.428 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCC(=O)NC1=O)c1ccccc1 ZINC000262691273 527650259 /nfs/dbraw/zinc/65/02/59/527650259.db2.gz GKSMXSVTPFCCHA-LBPRGKRZSA-N -1 0 305.290 -0.130 20 0 DBADRM O=C([O-])[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)C1CC1 ZINC000347423277 527651336 /nfs/dbraw/zinc/65/13/36/527651336.db2.gz OGBVKPISGYIPFD-LBPRGKRZSA-N -1 0 302.290 -0.229 20 0 DBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000090262665 527656672 /nfs/dbraw/zinc/65/66/72/527656672.db2.gz RNOIMYHCWBZSMW-VIFPVBQESA-N -1 0 317.319 -0.428 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000040396449 527656766 /nfs/dbraw/zinc/65/67/66/527656766.db2.gz XILTVIHUQPGWNA-BDAKNGLRSA-N -1 0 303.340 -0.755 20 0 DBADRM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)NCC(C)C ZINC000505418832 528145515 /nfs/dbraw/zinc/14/55/15/528145515.db2.gz CGKAXROOQLSERW-QWRGUYRKSA-N -1 0 315.395 -0.220 20 0 DBADRM CCN(CC)S(=O)(=O)CCNC(=O)N(C)CCC(=O)[O-] ZINC000414633016 528207395 /nfs/dbraw/zinc/20/73/95/528207395.db2.gz TYJXOILJHSEUBO-UHFFFAOYSA-N -1 0 309.388 -0.226 20 0 DBADRM CCN(CC)S(=O)(=O)CCNC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000507420784 528207662 /nfs/dbraw/zinc/20/76/62/528207662.db2.gz BKMYCEYFPVVVSG-ZJUUUORDSA-N -1 0 306.384 -0.115 20 0 DBADRM CCC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC000424592844 528330205 /nfs/dbraw/zinc/33/02/05/528330205.db2.gz CJCKWZQWGPUCJT-UHFFFAOYSA-N -1 0 315.351 -0.076 20 0 DBADRM CCOC(=O)CN(CCOC)C(=O)c1cnc([O-])n(C)c1=O ZINC000435232971 528800506 /nfs/dbraw/zinc/80/05/06/528800506.db2.gz QWTLYFRBWZYPBO-UHFFFAOYSA-N -1 0 313.310 -0.862 20 0 DBADRM CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000420593979 529188728 /nfs/dbraw/zinc/18/87/28/529188728.db2.gz OOJVMKXCLJPDIB-JTQLQIEISA-N -1 0 313.354 -0.563 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)c1 ZINC000274994619 534918657 /nfs/dbraw/zinc/91/86/57/534918657.db2.gz ZTXDYRPKVSELCJ-WCBMZHEXSA-N -1 0 305.356 -0.349 20 0 DBADRM CC(C)Cn1cnc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000274994616 534920095 /nfs/dbraw/zinc/92/00/95/534920095.db2.gz ZTXDYRPKVSELCJ-SCZZXKLOSA-N -1 0 305.356 -0.349 20 0 DBADRM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)NC(C)(C)C ZINC000408063398 535254098 /nfs/dbraw/zinc/25/40/98/535254098.db2.gz QGHCHWXMLFPDAQ-UWVGGRQHSA-N -1 0 315.395 -0.078 20 0 DBADRM CCN(CC)S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275366049 535623219 /nfs/dbraw/zinc/62/32/19/535623219.db2.gz YBNTXNWUHZVTLL-JTQLQIEISA-N -1 0 304.372 -0.408 20 0 DBADRM CCN(CC)S(=O)(=O)c1ccc(S([O-])=CC(N)=O)nc1 ZINC000341756211 535636770 /nfs/dbraw/zinc/63/67/70/535636770.db2.gz DIAWJQIUXMMCMF-LJQANCHMSA-N -1 0 319.408 -0.295 20 0 DBADRM CCC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(N)=O ZINC000285488461 535707184 /nfs/dbraw/zinc/70/71/84/535707184.db2.gz WMWANUVNLFNTKM-LURJTMIESA-N -1 0 321.380 -0.138 20 0 DBADRM CCN(Cc1ccccc1)S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000274902570 535788507 /nfs/dbraw/zinc/78/85/07/535788507.db2.gz IMQMDKRBDGTIJQ-LLVKDONJSA-N -1 0 302.352 -0.212 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)C(N)=O ZINC000357696254 535807257 /nfs/dbraw/zinc/80/72/57/535807257.db2.gz FZXSMCHGJUKMNT-SECBINFHSA-N -1 0 316.335 -0.064 20 0 DBADRM CCn1nccc1S(=O)(=O)[N-]N1C(=O)N[C@](C)(CC)C1=O ZINC000289198077 535891605 /nfs/dbraw/zinc/89/16/05/535891605.db2.gz OQYPNQSBGWSUNC-LLVKDONJSA-N -1 0 315.355 -0.183 20 0 DBADRM CN(C(=O)CN1[N-]S(=O)(=O)c2ccccc2C1=O)C1CC1 ZINC000299118696 535993180 /nfs/dbraw/zinc/99/31/80/535993180.db2.gz FCPCAPMRTQCGGH-UHFFFAOYSA-N -1 0 309.347 -0.044 20 0 DBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000274602400 536079161 /nfs/dbraw/zinc/07/91/61/536079161.db2.gz XDXCAVIIXDLXJM-UHFFFAOYSA-N -1 0 310.401 -0.557 20 0 DBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2c(C)cnn2C)cn1 ZINC000285078740 536380017 /nfs/dbraw/zinc/38/00/17/536380017.db2.gz KNCKJNRRJSNDBI-UHFFFAOYSA-N -1 0 313.339 -0.101 20 0 DBADRM COC(=O)N(C)CC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000272580317 536388135 /nfs/dbraw/zinc/38/81/35/536388135.db2.gz ATASTONPKQVJEL-QMMMGPOBSA-N -1 0 303.315 -0.878 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])oc1C ZINC000275191692 536581808 /nfs/dbraw/zinc/58/18/08/536581808.db2.gz FSNLDUBGJYRNOQ-ZETCQYMHSA-N -1 0 307.280 -0.902 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])ccc1C ZINC000275180486 536582559 /nfs/dbraw/zinc/58/25/59/536582559.db2.gz DGOYIAJUYDHJIK-JTQLQIEISA-N -1 0 317.319 -0.495 20 0 DBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000271688379 536691559 /nfs/dbraw/zinc/69/15/59/536691559.db2.gz DVGFHFYBNLENNT-QMMMGPOBSA-N -1 0 308.743 -0.312 20 0 DBADRM COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000274919515 536726729 /nfs/dbraw/zinc/72/67/29/536726729.db2.gz MPLNYMVCMDQPMJ-MRVPVSSYSA-N -1 0 321.282 -0.664 20 0 DBADRM COC(=O)c1coc(S(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000275348530 536847062 /nfs/dbraw/zinc/84/70/62/536847062.db2.gz SQIYJFYSDMEFKY-UHFFFAOYSA-N -1 0 307.280 -0.866 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-] ZINC000650418248 568587040 /nfs/dbraw/zinc/58/70/40/568587040.db2.gz MFPAOZOOWSYZFU-JTQLQIEISA-N -1 0 307.328 -0.853 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000824960905 603546809 /nfs/dbraw/zinc/54/68/09/603546809.db2.gz WTPRCPRXRVKZDL-NXEZZACHSA-N -1 0 321.399 -0.780 20 0 DBADRM C[C@@H](O)C[C@H](C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736145638 598972704 /nfs/dbraw/zinc/97/27/04/598972704.db2.gz VHFQMWQMRSUMHM-JGVFFNPUSA-N -1 0 323.357 -0.917 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000829905415 601389886 /nfs/dbraw/zinc/38/98/86/601389886.db2.gz VEJVFRPNGZEARS-LLVKDONJSA-N -1 0 310.347 -0.159 20 0 DBADRM O=C([O-])CNC(=O)CN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000739809263 599754220 /nfs/dbraw/zinc/75/42/20/599754220.db2.gz RECZCOKBGLQFMZ-LBPRGKRZSA-N -1 0 305.334 -0.250 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CC[C@@](F)(C(=O)[O-])C1)C(C)C ZINC000831540590 601658742 /nfs/dbraw/zinc/65/87/42/601658742.db2.gz ADQHLYBYTBMFLG-GWCFXTLKSA-N -1 0 304.318 -0.201 20 0 DBADRM C[C@H](CCO)Sc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820248472 599082120 /nfs/dbraw/zinc/08/21/20/599082120.db2.gz IEVWHBCSUNFWPH-ZCFIWIBFSA-N -1 0 312.355 -0.873 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCOC2CCC2)n(C)c1=O ZINC000822599557 599083820 /nfs/dbraw/zinc/08/38/20/599083820.db2.gz FPPVWNKRLBJCTN-UHFFFAOYSA-N -1 0 321.341 -0.755 20 0 DBADRM CCNC(=O)N1CC[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC000829794684 602168693 /nfs/dbraw/zinc/16/86/93/602168693.db2.gz KJYSRGSBFJWZFQ-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCC[C@H](O)C(F)(F)F ZINC000740415019 602913661 /nfs/dbraw/zinc/91/36/61/602913661.db2.gz HGGFIJSGLWMKQP-BQBZGAKWSA-N -1 0 300.233 -0.205 20 0 DBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)CN(C)S(C)(=O)=O ZINC000828130018 603468098 /nfs/dbraw/zinc/46/80/98/603468098.db2.gz XPRIDRHTEJKYMY-UHFFFAOYSA-N -1 0 309.388 -0.370 20 0 DBADRM CN(CC(=O)[O-])CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000739631667 596903461 /nfs/dbraw/zinc/90/34/61/596903461.db2.gz RKDQOFHZBIQZRK-UHFFFAOYSA-N -1 0 311.382 -0.136 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000817750441 596904464 /nfs/dbraw/zinc/90/44/64/596904464.db2.gz VYFULFRCFVBFLH-XCBNKYQSSA-N -1 0 313.335 -0.352 20 0 DBADRM C[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000817750442 596904618 /nfs/dbraw/zinc/90/46/18/596904618.db2.gz VYFULFRCFVBFLH-XVKPBYJWSA-N -1 0 313.335 -0.352 20 0 DBADRM CC(C)Cn1c(N)c(C(=O)CN(C)CC(=O)[O-])c(=O)[nH]c1=O ZINC000738836763 596906847 /nfs/dbraw/zinc/90/68/47/596906847.db2.gz RPZAJBXDHPRVNW-UHFFFAOYSA-N -1 0 312.326 -0.614 20 0 DBADRM CN(CC(=O)[O-])C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000739626199 596909033 /nfs/dbraw/zinc/90/90/33/596909033.db2.gz AUUOWNJIUPYHIQ-UHFFFAOYSA-N -1 0 302.308 -0.744 20 0 DBADRM CNC(=O)CCOC1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000818486279 596927558 /nfs/dbraw/zinc/92/75/58/596927558.db2.gz SQRQTBJCGYUARO-UHFFFAOYSA-N -1 0 301.343 -0.212 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)[O-])CC2)o1 ZINC000740340040 596937225 /nfs/dbraw/zinc/93/72/25/596937225.db2.gz FJLBVUZUANNFJS-UHFFFAOYSA-N -1 0 302.308 -0.136 20 0 DBADRM CNC(=O)[C@@H](C)NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000739742644 596955670 /nfs/dbraw/zinc/95/56/70/596955670.db2.gz KNBGOJNBJMUPAY-SKDRFNHKSA-N -1 0 318.333 -0.043 20 0 DBADRM CC(=O)NCCNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000738555858 596958792 /nfs/dbraw/zinc/95/87/92/596958792.db2.gz MRHJEAMDMRPKNY-CYBMUJFWSA-N -1 0 318.333 -0.042 20 0 DBADRM COc1cc(C(=O)N(C)[C@H](C)C(=O)[O-])sc1S(N)(=O)=O ZINC000818556100 596970252 /nfs/dbraw/zinc/97/02/52/596970252.db2.gz PKDPMQQDQJJDAY-RXMQYKEDSA-N -1 0 322.364 -0.051 20 0 DBADRM CCN(CCCNC(=O)N(C)CCC(=O)[O-])S(C)(=O)=O ZINC000818202679 596991440 /nfs/dbraw/zinc/99/14/40/596991440.db2.gz NPVLYSUSMHFOKS-UHFFFAOYSA-N -1 0 309.388 -0.226 20 0 DBADRM CN(CCC(=O)[O-])C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000818428980 596995788 /nfs/dbraw/zinc/99/57/88/596995788.db2.gz CDVFYRCBGRLWFS-SNVBAGLBSA-N -1 0 309.326 -0.359 20 0 DBADRM CCN(C(=O)[C@@H](C)N(C)CCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000818190195 597002459 /nfs/dbraw/zinc/00/24/59/597002459.db2.gz IPLLXLZFCKXAFJ-GHMZBOCLSA-N -1 0 320.411 -0.183 20 0 DBADRM O=C([O-])CNC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000740483592 597027419 /nfs/dbraw/zinc/02/74/19/597027419.db2.gz YEMZOIQREKPEHG-UHFFFAOYSA-N -1 0 304.310 -0.459 20 0 DBADRM COC(=O)CCOc1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000261712476 597028879 /nfs/dbraw/zinc/02/88/79/597028879.db2.gz PUBDPPGZSJGAGC-UHFFFAOYSA-N -1 0 317.319 -0.009 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000819521498 597030566 /nfs/dbraw/zinc/03/05/66/597030566.db2.gz KQQBZKLGDZRGQU-SECBINFHSA-N -1 0 308.290 -0.006 20 0 DBADRM CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000739459704 597043167 /nfs/dbraw/zinc/04/31/67/597043167.db2.gz IETKDFIAMVQLFE-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000739983607 597044608 /nfs/dbraw/zinc/04/46/08/597044608.db2.gz BXAMFYZDKLCHLW-UHFFFAOYSA-N -1 0 314.319 -0.630 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000740482577 597045235 /nfs/dbraw/zinc/04/52/35/597045235.db2.gz VHWNOFOAWQREDW-UHFFFAOYSA-N -1 0 307.184 -0.055 20 0 DBADRM COC(=O)COc1ccc(NC(=O)C(=O)NCC(=O)[O-])c(C)c1 ZINC000739764269 597047108 /nfs/dbraw/zinc/04/71/08/597047108.db2.gz ITPKPFROLFLFBE-UHFFFAOYSA-N -1 0 324.289 -0.314 20 0 DBADRM CN(CC(=O)[O-])Cn1nc(N2CCOCC2)n(C)c1=S ZINC000739635221 597055634 /nfs/dbraw/zinc/05/56/34/597055634.db2.gz XRQREWPXPJIUFP-UHFFFAOYSA-N -1 0 301.372 -0.238 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)O1 ZINC000819111366 597065225 /nfs/dbraw/zinc/06/52/25/597065225.db2.gz RWRCDLSDUWUUQZ-MXWKQRLJSA-N -1 0 313.354 -0.084 20 0 DBADRM COCCN(CC(=O)[O-])S(=O)(=O)N(C)C1CCOCC1 ZINC000737778983 597075409 /nfs/dbraw/zinc/07/54/09/597075409.db2.gz DXKZQBZRXHNEKU-UHFFFAOYSA-N -1 0 310.372 -0.625 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000740483264 597075414 /nfs/dbraw/zinc/07/54/14/597075414.db2.gz UDHQEJZIBHTDBD-LLVKDONJSA-N -1 0 308.290 -0.006 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000738854325 597085629 /nfs/dbraw/zinc/08/56/29/597085629.db2.gz CQICZDNPGDWCLE-UHFFFAOYSA-N -1 0 317.411 -0.527 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)CSCC(=O)[O-])C1 ZINC000740343113 597101861 /nfs/dbraw/zinc/10/18/61/597101861.db2.gz SPAJNDWUWSVKED-MRVPVSSYSA-N -1 0 310.397 -0.669 20 0 DBADRM CC(C)(CNC(=O)CSCC(=O)[O-])N1CCS(=O)CC1 ZINC000738749189 597102431 /nfs/dbraw/zinc/10/24/31/597102431.db2.gz ADJPYMTXVMHTOI-UHFFFAOYSA-N -1 0 322.452 -0.237 20 0 DBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)CSCC(=O)[O-] ZINC000739615320 597106881 /nfs/dbraw/zinc/10/68/81/597106881.db2.gz QQHVHBHMLMLOOJ-UHFFFAOYSA-N -1 0 314.385 -0.914 20 0 DBADRM NC(=O)[C@H]1CC(C(=O)NCCC(=O)[O-])=NN1c1ccccc1 ZINC000740325860 597113190 /nfs/dbraw/zinc/11/31/90/597113190.db2.gz QUPXMBRAZABUDW-LLVKDONJSA-N -1 0 304.306 -0.303 20 0 DBADRM O=C([O-])CCNC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000740480882 597117531 /nfs/dbraw/zinc/11/75/31/597117531.db2.gz FJOYCDJYXPAPMN-UHFFFAOYSA-N -1 0 318.337 -0.068 20 0 DBADRM CCOC(=O)C1CCN(S(=O)(=O)NCCC(=O)[O-])CC1 ZINC000037418476 597131032 /nfs/dbraw/zinc/13/10/32/597131032.db2.gz DKGMWIYHJSJFQW-UHFFFAOYSA-N -1 0 308.356 -0.429 20 0 DBADRM CS(=O)(=O)NCCNC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000087845101 597185929 /nfs/dbraw/zinc/18/59/29/597185929.db2.gz CDUGEJBMVJXVPQ-UHFFFAOYSA-N -1 0 315.351 -0.016 20 0 DBADRM NC(=O)CCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000819116849 597206227 /nfs/dbraw/zinc/20/62/27/597206227.db2.gz CINFTKBIGIBNJQ-NSHDSACASA-N -1 0 304.306 -0.303 20 0 DBADRM CCOC(=O)C1(O)CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000818217066 597207522 /nfs/dbraw/zinc/20/75/22/597207522.db2.gz MSWMBZYMPLYGAP-UHFFFAOYSA-N -1 0 305.352 -0.279 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)C(=O)[O-] ZINC000818022535 597214704 /nfs/dbraw/zinc/21/47/04/597214704.db2.gz JSYNHEQCMHVUPH-SSDOTTSWSA-N -1 0 304.266 -0.810 20 0 DBADRM CCCS(=O)(=O)NC1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000818181044 597224553 /nfs/dbraw/zinc/22/45/53/597224553.db2.gz NVXGWINKMHFVAS-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000818255661 597224992 /nfs/dbraw/zinc/22/49/92/597224992.db2.gz GDZBDVRVNAOXMV-UHFFFAOYSA-N -1 0 321.399 -0.083 20 0 DBADRM C[NH+](C)CCN(CC(=O)[O-])C(=O)CNC(=O)c1cccnc1 ZINC000818378394 597228313 /nfs/dbraw/zinc/22/83/13/597228313.db2.gz RWHFDGLVSAJWRB-UHFFFAOYSA-N -1 0 308.338 -0.714 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)c(=O)n(C)c1 ZINC000818835425 597249763 /nfs/dbraw/zinc/24/97/63/597249763.db2.gz NNVLYIIFCHVCHC-SNVBAGLBSA-N -1 0 309.322 -0.142 20 0 DBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCCC(=O)[O-] ZINC000818149052 597254283 /nfs/dbraw/zinc/25/42/83/597254283.db2.gz BLJUGMNFQIETOV-NXEZZACHSA-N -1 0 321.399 -0.180 20 0 DBADRM NC(=O)NC(=O)C1CCC(NC(=O)CSCC(=O)[O-])CC1 ZINC000819117002 597266998 /nfs/dbraw/zinc/26/69/98/597266998.db2.gz POWGMXDHTHLYEN-UHFFFAOYSA-N -1 0 317.367 -0.326 20 0 DBADRM O=C([O-])CSCC(=O)N1CCC(C(=O)NCCO)CC1 ZINC000712601548 597281723 /nfs/dbraw/zinc/28/17/23/597281723.db2.gz VHMZLIUERFAOLF-UHFFFAOYSA-N -1 0 304.368 -0.849 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000817909808 597295678 /nfs/dbraw/zinc/29/56/78/597295678.db2.gz RASNIPRHSRJEIU-UHFFFAOYSA-N -1 0 300.359 -0.687 20 0 DBADRM C[C@H](NC(=O)Nc1ccn(CCS(C)(=O)=O)n1)C(=O)[O-] ZINC000818039790 597320686 /nfs/dbraw/zinc/32/06/86/597320686.db2.gz PIYYAQJLRLYLMS-ZETCQYMHSA-N -1 0 304.328 -0.478 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1)C(=O)[O-] ZINC000818023033 597323937 /nfs/dbraw/zinc/32/39/37/597323937.db2.gz QWARJSANHXUONM-ZETCQYMHSA-N -1 0 308.294 -0.689 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1cnn(-c2ccccn2)c1)C(=O)[O-] ZINC000818021972 597326678 /nfs/dbraw/zinc/32/66/78/597326678.db2.gz AGIAGOWBJOFXQB-QMMMGPOBSA-N -1 0 303.278 -0.205 20 0 DBADRM CS(=O)(=O)NCCNC(=O)Nc1ccccc1CC(=O)[O-] ZINC000053200900 597335774 /nfs/dbraw/zinc/33/57/74/597335774.db2.gz GKTYAQAMGONEEX-UHFFFAOYSA-N -1 0 315.351 -0.016 20 0 DBADRM O=C([O-])CNC(=O)C(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000821529052 597342527 /nfs/dbraw/zinc/34/25/27/597342527.db2.gz BWVAQNXKWKUDBW-UHFFFAOYSA-N -1 0 303.278 -0.534 20 0 DBADRM Cc1nn(C)c(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1C ZINC000821209511 597343577 /nfs/dbraw/zinc/34/35/77/597343577.db2.gz YDAKEXBWKLDBSF-SECBINFHSA-N -1 0 310.310 -0.713 20 0 DBADRM CCc1ncc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000820498651 597350582 /nfs/dbraw/zinc/35/05/82/597350582.db2.gz WVJKRQUSEODZMK-VIFPVBQESA-N -1 0 308.294 -0.711 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000820653323 597350792 /nfs/dbraw/zinc/35/07/92/597350792.db2.gz DOGRGRGAWUTKGJ-NSHDSACASA-N -1 0 305.352 -0.423 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000819413747 597355721 /nfs/dbraw/zinc/35/57/21/597355721.db2.gz PIESNEPBYPKNQV-UHFFFAOYSA-N -1 0 318.293 -0.418 20 0 DBADRM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)NCCC(=O)[O-])C2)C1=O ZINC000820025144 597362339 /nfs/dbraw/zinc/36/23/39/597362339.db2.gz WTPKLSPUSWTQNT-CYBMUJFWSA-N -1 0 312.326 -0.425 20 0 DBADRM Cc1nn(C)c(C)c1CC(=O)OCc1cn(CC(=O)[O-])nn1 ZINC000821202030 597362926 /nfs/dbraw/zinc/36/29/26/597362926.db2.gz AHVGTAJLMRYGSF-UHFFFAOYSA-N -1 0 307.310 -0.001 20 0 DBADRM NC(=O)c1ccc(C(=O)OCc2cn(CC(=O)[O-])nn2)cc1 ZINC000821353222 597363106 /nfs/dbraw/zinc/36/31/06/597363106.db2.gz QPLHVSOZMQGXBU-UHFFFAOYSA-N -1 0 304.262 -0.181 20 0 DBADRM CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)o1 ZINC000818645271 597371108 /nfs/dbraw/zinc/37/11/08/597371108.db2.gz GYFXSKBAWMNGOL-SNVBAGLBSA-N -1 0 317.319 -0.250 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cnc3n(c2=O)CCS3)CCO1 ZINC000049864866 597373532 /nfs/dbraw/zinc/37/35/32/597373532.db2.gz PRSZYELADIMUPQ-QMMMGPOBSA-N -1 0 311.319 -0.725 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)o1 ZINC000738141347 597374309 /nfs/dbraw/zinc/37/43/09/597374309.db2.gz VFKHXODHZWOFEU-QMMMGPOBSA-N -1 0 303.292 -0.391 20 0 DBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000261667986 597376006 /nfs/dbraw/zinc/37/60/06/597376006.db2.gz JWSHKYKEBUMQCI-NXEZZACHSA-N -1 0 315.351 -0.060 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000043701064 597377525 /nfs/dbraw/zinc/37/75/25/597377525.db2.gz DVGVKHWKKFLVFT-IUCAKERBSA-N -1 0 323.392 -0.781 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000043701063 597377727 /nfs/dbraw/zinc/37/77/27/597377727.db2.gz DVGVKHWKKFLVFT-BDAKNGLRSA-N -1 0 323.392 -0.781 20 0 DBADRM CC(C)[C@H](NC(=O)C(=O)Nc1cnc(N(C)C)nc1)C(=O)[O-] ZINC000820049505 597380542 /nfs/dbraw/zinc/38/05/42/597380542.db2.gz ZJHMTBPSLZKWES-VIFPVBQESA-N -1 0 309.326 -0.294 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@H](C)C1 ZINC000819731326 597381359 /nfs/dbraw/zinc/38/13/59/597381359.db2.gz JAJIEVBBDRXJCZ-ADEWGFFLSA-N -1 0 313.354 -0.262 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)CSCC(=O)[O-])C1 ZINC000690669859 597382930 /nfs/dbraw/zinc/38/29/30/597382930.db2.gz YZBQIUVXNRFBDJ-MRVPVSSYSA-N -1 0 310.397 -0.798 20 0 DBADRM Cn1cc(N2CCC[C@@H](N3CCO[C@H](C(=O)[O-])C3)C2=O)cn1 ZINC000738410106 597384609 /nfs/dbraw/zinc/38/46/09/597384609.db2.gz CRTNLXUKIMHYHZ-NEPJUHHUSA-N -1 0 308.338 -0.299 20 0 DBADRM CS(=O)(=O)Cc1nc(CN2CCO[C@@H](C(=O)[O-])C2)cs1 ZINC000818645197 597386682 /nfs/dbraw/zinc/38/66/82/597386682.db2.gz BTKDHHJZCLNNGC-SECBINFHSA-N -1 0 320.392 -0.027 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCC2CCS(=O)(=O)CC2)CCO1 ZINC000821510427 597401626 /nfs/dbraw/zinc/40/16/26/597401626.db2.gz CZAXVPDAXGGQIR-JTQLQIEISA-N -1 0 320.367 -0.694 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000821510886 597408512 /nfs/dbraw/zinc/40/85/12/597408512.db2.gz QSTULMJOINPRCU-SNVBAGLBSA-N -1 0 304.368 -0.073 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cncc(N3CCOCC3)c2)CCO1 ZINC000821513329 597413066 /nfs/dbraw/zinc/41/30/66/597413066.db2.gz UOWLSTYSGQNKFI-ZDUSSCGKSA-N -1 0 321.333 -0.156 20 0 DBADRM CC(=O)N1CCC(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000737538726 597424498 /nfs/dbraw/zinc/42/44/98/597424498.db2.gz AYPWRJSDFOFBAM-GFCCVEGCSA-N -1 0 313.354 -0.260 20 0 DBADRM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000818136489 597448831 /nfs/dbraw/zinc/44/88/31/597448831.db2.gz WZSBPWDMWWMAFV-AEJSXWLSSA-N -1 0 301.343 -0.215 20 0 DBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NCCC(=O)[O-])cc21 ZINC000821357485 597460282 /nfs/dbraw/zinc/46/02/82/597460282.db2.gz VBXIUPNAJKWLCJ-UHFFFAOYSA-N -1 0 319.277 -0.809 20 0 DBADRM CCN(C(=O)CN(C)[C@@H](C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000054069548 597471808 /nfs/dbraw/zinc/47/18/08/597471808.db2.gz GLCOQPQOVDYKNL-VHSXEESVSA-N -1 0 306.384 -0.573 20 0 DBADRM O=C([O-])CNC(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000819527079 597486342 /nfs/dbraw/zinc/48/63/42/597486342.db2.gz LVVOCIMGXKNRNM-UHFFFAOYSA-N -1 0 306.278 -0.056 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CC[C@H](C(=O)[O-])C1)c2=O ZINC000819084611 597496059 /nfs/dbraw/zinc/49/60/59/597496059.db2.gz SSZFYJZUWDQYQY-QMMMGPOBSA-N -1 0 305.294 -0.937 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000062118674 597499208 /nfs/dbraw/zinc/49/92/08/597499208.db2.gz WDVNRNPMCJNWMS-IUCAKERBSA-N -1 0 307.393 -0.160 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[C@H](C(=O)[O-])C3)cnc21 ZINC000819057809 597503121 /nfs/dbraw/zinc/50/31/21/597503121.db2.gz CGVSYJGCUJXVQP-ZETCQYMHSA-N -1 0 318.289 -0.419 20 0 DBADRM CN(CCCNC(=O)N1CC[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000692438622 597508183 /nfs/dbraw/zinc/50/81/83/597508183.db2.gz HDAMNYLEIXIPCN-VIFPVBQESA-N -1 0 307.372 -0.616 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000400103346 597509780 /nfs/dbraw/zinc/50/97/80/597509780.db2.gz BUMLAAHMBQUECI-NXEZZACHSA-N -1 0 319.383 -0.474 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1)C(=O)[O-] ZINC000818022005 597516877 /nfs/dbraw/zinc/51/68/77/597516877.db2.gz BJSUVTVPJRISGU-SECBINFHSA-N -1 0 317.305 -0.146 20 0 DBADRM COC(=O)COc1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000818506326 597517117 /nfs/dbraw/zinc/51/71/17/597517117.db2.gz GZLCUCNITLUYJK-QMMMGPOBSA-N -1 0 324.289 -0.234 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(N)=O)c1)C(=O)[O-] ZINC000818019252 597517939 /nfs/dbraw/zinc/51/79/39/597517939.db2.gz ZVCAOUNNUOBGQT-RXMQYKEDSA-N -1 0 313.697 -0.033 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)nc1)C(=O)[O-] ZINC000818017547 597518269 /nfs/dbraw/zinc/51/82/69/597518269.db2.gz BJUWXXMLHSXVMD-SSDOTTSWSA-N -1 0 304.266 -0.810 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000818018362 597519227 /nfs/dbraw/zinc/51/92/27/597519227.db2.gz ORDBCVWKXSLIJD-ZETCQYMHSA-N -1 0 304.266 -0.810 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccccc1OCCC(N)=O)C(=O)[O-] ZINC000818023479 597519228 /nfs/dbraw/zinc/51/92/28/597519228.db2.gz XPFRIWJHPBDQFY-QMMMGPOBSA-N -1 0 323.305 -0.531 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC000818017537 597519277 /nfs/dbraw/zinc/51/92/77/597519277.db2.gz BELTUJCUDITMLR-LURJTMIESA-N -1 0 307.262 -0.455 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C)C(=O)[O-] ZINC000818022709 597519316 /nfs/dbraw/zinc/51/93/16/597519316.db2.gz NFCLYFCHDAUGIJ-MRVPVSSYSA-N -1 0 307.306 -0.084 20 0 DBADRM CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000818490983 597520384 /nfs/dbraw/zinc/52/03/84/597520384.db2.gz NCWVBUWNKXRCBV-ZETCQYMHSA-N -1 0 323.305 -0.417 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000819124799 597521869 /nfs/dbraw/zinc/52/18/69/597521869.db2.gz SDUIVKALIOSSSG-VIFPVBQESA-N -1 0 305.290 -0.343 20 0 DBADRM C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](C(=O)[O-])C1 ZINC000817728012 597529155 /nfs/dbraw/zinc/52/91/55/597529155.db2.gz UWRUOMCRGVCQQO-MXWKQRLJSA-N -1 0 318.395 -0.573 20 0 DBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(C(N)=O)n1)C(=O)[O-] ZINC000820036676 597611529 /nfs/dbraw/zinc/61/15/29/597611529.db2.gz KZHZRAZAABNVBD-SECBINFHSA-N -1 0 308.294 -0.656 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1ccnn1-c1ccncc1)C(=O)[O-] ZINC000820115368 597611782 /nfs/dbraw/zinc/61/17/82/597611782.db2.gz VIAZZPRSLMDKBE-MRVPVSSYSA-N -1 0 303.278 -0.205 20 0 DBADRM COCc1nc([C@@H]2COCCN2C(=O)NCCC(=O)[O-])no1 ZINC000820748839 597665644 /nfs/dbraw/zinc/66/56/44/597665644.db2.gz AIIINTXYYZJPCB-QMMMGPOBSA-N -1 0 314.298 -0.226 20 0 DBADRM CCc1nnc2n1C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)CC2 ZINC000820504193 597665695 /nfs/dbraw/zinc/66/56/95/597665695.db2.gz YPHBJQMOBRUIGQ-ZJUUUORDSA-N -1 0 323.353 -0.350 20 0 DBADRM CC(=O)NCCN(CC(=O)Nc1nncs1)[C@@H](C)C(=O)[O-] ZINC000819770453 597674814 /nfs/dbraw/zinc/67/48/14/597674814.db2.gz UBKFGSZILXRAAT-ZETCQYMHSA-N -1 0 315.355 -0.612 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CSC(=O)N1)[C@H](C)C(=O)[O-] ZINC000819744631 597687438 /nfs/dbraw/zinc/68/74/38/597687438.db2.gz WYKDIBOLSAFLSC-HTRCEHHLSA-N -1 0 303.340 -0.751 20 0 DBADRM CC(=O)NCCN(C(=O)C(=O)c1cnn(C)c1)[C@H](C)C(=O)[O-] ZINC000819744330 597691940 /nfs/dbraw/zinc/69/19/40/597691940.db2.gz HOQOUFXMRJPMSG-MRVPVSSYSA-N -1 0 310.310 -0.959 20 0 DBADRM CC(=O)NCCN(C(=O)CCN1CCOCC1)[C@@H](C)C(=O)[O-] ZINC000819745770 597695021 /nfs/dbraw/zinc/69/50/21/597695021.db2.gz GSLLJATVKGGELC-NSHDSACASA-N -1 0 315.370 -0.854 20 0 DBADRM CCCn1cc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])nn1 ZINC000820330346 597695064 /nfs/dbraw/zinc/69/50/64/597695064.db2.gz UCEFHJXACVIQPR-SECBINFHSA-N -1 0 311.342 -0.261 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccccn1 ZINC000819769868 597698425 /nfs/dbraw/zinc/69/84/25/597698425.db2.gz CDCQNBLXPIWLLK-SECBINFHSA-N -1 0 315.351 -0.319 20 0 DBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N(C)C(C)C ZINC000262489008 597699369 /nfs/dbraw/zinc/69/93/69/597699369.db2.gz XAKWJFXINZWBTN-SECBINFHSA-N -1 0 309.388 -0.517 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000820949158 597714060 /nfs/dbraw/zinc/71/40/60/597714060.db2.gz AOTTTYRWNKBGCG-LLVKDONJSA-N -1 0 309.322 -0.142 20 0 DBADRM NS(=O)(=O)c1cccc2c1ccnc2C(=O)NCC(=O)[O-] ZINC000821364113 597735166 /nfs/dbraw/zinc/73/51/66/597735166.db2.gz OBMOHFHAQSYBDL-UHFFFAOYSA-N -1 0 309.303 -0.303 20 0 DBADRM CC(C)(C)c1nc(C[S@](=O)CC(=O)NCC(=O)[O-])no1 ZINC000819932585 597736328 /nfs/dbraw/zinc/73/63/28/597736328.db2.gz NJQLEIPBGNDRBI-FQEVSTJZSA-N -1 0 303.340 -0.183 20 0 DBADRM Cc1nn(C)c(Cl)c1C[S@@](=O)CC(=O)NCC(=O)[O-] ZINC000821209639 597736867 /nfs/dbraw/zinc/73/68/67/597736867.db2.gz ZIWLWECRXLGPNL-LJQANCHMSA-N -1 0 307.759 -0.169 20 0 DBADRM O=C([O-])CNC(=O)C[S@](=O)Cc1cc(=O)n2ccccc2n1 ZINC000821535324 597737383 /nfs/dbraw/zinc/73/73/83/597737383.db2.gz WOVIBFMYOAEOPM-JOCHJYFZSA-N -1 0 323.330 -0.856 20 0 DBADRM CN(C)c1nc(C[S@@](=O)CC(=O)NCC(=O)[O-])ns1 ZINC000820554220 597738053 /nfs/dbraw/zinc/73/80/53/597738053.db2.gz ITUCPZJKCFXBBT-LJQANCHMSA-N -1 0 306.369 -0.946 20 0 DBADRM C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000818703861 597754125 /nfs/dbraw/zinc/75/41/25/597754125.db2.gz WVQLUKBKHNNWIC-AWEZNQCLSA-N -1 0 323.280 -0.207 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)C[C@H](Cc2ccc(F)cc2)C1=O ZINC000821529955 597757516 /nfs/dbraw/zinc/75/75/16/597757516.db2.gz SXIRRAFUTPCHHK-JTQLQIEISA-N -1 0 322.292 -0.056 20 0 DBADRM O=C([O-])CNC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000821529085 597760670 /nfs/dbraw/zinc/76/06/70/597760670.db2.gz FBHKOBYMSOEBFL-SNVBAGLBSA-N -1 0 305.290 -0.650 20 0 DBADRM C[C@@H]1CN(C[C@H]2CCCN2CC(=O)NCC(=O)[O-])C[C@H](C)O1 ZINC000820251777 597772710 /nfs/dbraw/zinc/77/27/10/597772710.db2.gz JHFUKKDDWKNGGH-FRRDWIJNSA-N -1 0 313.398 -0.239 20 0 DBADRM Cc1ccc(C(=O)N2CCN(CC(=O)NCC(=O)[O-])CC2)cc1 ZINC000821064138 597792540 /nfs/dbraw/zinc/79/25/40/597792540.db2.gz WQROWWJCKTVWOY-UHFFFAOYSA-N -1 0 319.361 -0.046 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC(CN2CCCCC2=O)CC1 ZINC000821529447 597795537 /nfs/dbraw/zinc/79/55/37/597795537.db2.gz IPHJJSTXSLLVCW-UHFFFAOYSA-N -1 0 311.382 -0.088 20 0 DBADRM C[C@](NCC(=O)NCC(=O)[O-])(C(N)=O)c1cccc(Cl)c1 ZINC000820142420 597796957 /nfs/dbraw/zinc/79/69/57/597796957.db2.gz ULWIOUDEINUBAI-CYBMUJFWSA-N -1 0 313.741 -0.169 20 0 DBADRM O=C([O-])CNC(=O)CN1CCC(OC[C@H]2CCOC2)CC1 ZINC000821529311 597804534 /nfs/dbraw/zinc/80/45/34/597804534.db2.gz GNLZJKYMXGOHRZ-NSHDSACASA-N -1 0 300.355 -0.295 20 0 DBADRM CS(=O)(=O)C[C@H](NCC(=O)NCC(=O)[O-])c1ccccc1 ZINC000820886113 597809337 /nfs/dbraw/zinc/80/93/37/597809337.db2.gz VTTWVDQSRBIZID-NSHDSACASA-N -1 0 314.363 -0.437 20 0 DBADRM Cc1cc(C)nc(N2CCN(CC(=O)NCC(=O)[O-])CC2)n1 ZINC000820972243 597813871 /nfs/dbraw/zinc/81/38/71/597813871.db2.gz FHHSKTLNPKWREZ-UHFFFAOYSA-N -1 0 307.354 -0.584 20 0 DBADRM Cc1nn(C)c2nc(C)cc(C(=O)OCC(=O)NCC(=O)[O-])c12 ZINC000820963709 597827563 /nfs/dbraw/zinc/82/75/63/597827563.db2.gz NCUDMNRMNQYVRW-UHFFFAOYSA-N -1 0 320.305 -0.057 20 0 DBADRM CN1C(=O)c2ccc(C(=O)OCC(=O)NCC(=O)[O-])cc2C1=O ZINC000820615735 597828653 /nfs/dbraw/zinc/82/86/53/597828653.db2.gz WKAIBYWKCLQGQQ-UHFFFAOYSA-N -1 0 320.257 -0.730 20 0 DBADRM C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)NCC(=O)[O-])CS2 ZINC000820214643 597829084 /nfs/dbraw/zinc/82/90/84/597829084.db2.gz AWLFVCIJANYOST-JMCQJSRRSA-N -1 0 316.335 -0.816 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000821530948 597830443 /nfs/dbraw/zinc/83/04/43/597830443.db2.gz DRTSDWURMQRJCQ-JTQLQIEISA-N -1 0 322.273 -0.480 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)OCCCCC(=O)[O-])c2=O ZINC000738415124 597830509 /nfs/dbraw/zinc/83/05/09/597830509.db2.gz JVKZLVDNPPUUQF-UHFFFAOYSA-N -1 0 308.294 -0.072 20 0 DBADRM Cn1cc(/C=C/C(=O)OCCCCC(=O)[O-])c(=O)n(C)c1=O ZINC000738404751 597830585 /nfs/dbraw/zinc/83/05/85/597830585.db2.gz BYQABMLCQSMFBV-VOTSOKGWSA-N -1 0 310.306 -0.105 20 0 DBADRM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820256889 597831227 /nfs/dbraw/zinc/83/12/27/597831227.db2.gz MMQORZDWESAHRX-OQPBUACISA-N -1 0 309.274 -0.041 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1CCCN1c1ncccn1 ZINC000821531859 597832224 /nfs/dbraw/zinc/83/22/24/597832224.db2.gz KYQDEMPNNMBCDN-SECBINFHSA-N -1 0 308.294 -0.811 20 0 DBADRM COc1ccc2c(c1)C[C@H](C(=O)OCC(=O)NCC(=O)[O-])CO2 ZINC000820853279 597832835 /nfs/dbraw/zinc/83/28/35/597832835.db2.gz HRILOEGVYBXGIW-JTQLQIEISA-N -1 0 323.301 -0.010 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(Cn2cccn2)o1 ZINC000821532271 597834764 /nfs/dbraw/zinc/83/47/64/597834764.db2.gz RIAWSJXIAXURKL-UHFFFAOYSA-N -1 0 307.262 -0.118 20 0 DBADRM Cn1ncc(C(=O)OCC(=O)NCC(=O)[O-])c1C(F)(F)F ZINC000821315389 597835407 /nfs/dbraw/zinc/83/54/07/597835407.db2.gz RHXUWEYWMIWROC-UHFFFAOYSA-N -1 0 309.200 -0.204 20 0 DBADRM CC(=O)NC1(C(=O)OCC(=O)NCC(=O)[O-])CCCCC1 ZINC000819737234 597836019 /nfs/dbraw/zinc/83/60/19/597836019.db2.gz JXWVJCHRYZNABW-UHFFFAOYSA-N -1 0 300.311 -0.431 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1c[nH]nc1-c1ccncc1 ZINC000821531094 597836675 /nfs/dbraw/zinc/83/66/75/597836675.db2.gz DZJFRBMITLCQEA-UHFFFAOYSA-N -1 0 304.262 -0.171 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000821532132 597836700 /nfs/dbraw/zinc/83/67/00/597836700.db2.gz PGABHVZXMRGXPH-UHFFFAOYSA-N -1 0 323.305 -0.392 20 0 DBADRM CC(C)C(=O)N1CCCC[C@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000819955498 597837225 /nfs/dbraw/zinc/83/72/25/597837225.db2.gz YNTAGENRTCJJAL-JTQLQIEISA-N -1 0 314.338 -0.233 20 0 DBADRM NC(=O)Cn1cc(C(=O)Nc2ccc(C(=O)[O-])cc2F)nn1 ZINC000821350247 598047296 /nfs/dbraw/zinc/04/72/96/598047296.db2.gz PQHINKXHXYKACQ-UHFFFAOYSA-N -1 0 307.241 -0.147 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000821357628 598058074 /nfs/dbraw/zinc/05/80/74/598058074.db2.gz YMDMVSNQLQLTFC-VIFPVBQESA-N -1 0 303.278 -0.483 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)NCCCCC(=O)[O-])C1 ZINC000820360739 598167826 /nfs/dbraw/zinc/16/78/26/598167826.db2.gz DDEWIHXBAMFYAU-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCn2ncnn2)ccc1C(=O)[O-] ZINC000821000548 598171042 /nfs/dbraw/zinc/17/10/42/598171042.db2.gz PPGMBPUFIAMHFV-UHFFFAOYSA-N -1 0 318.293 -0.565 20 0 DBADRM NC(=O)c1cc([C@@H]2CCCN(C(=O)NCCC(=O)[O-])C2)n[nH]1 ZINC000821352991 598172459 /nfs/dbraw/zinc/17/24/59/598172459.db2.gz GDAMWUBQNQBEKZ-MRVPVSSYSA-N -1 0 309.326 -0.128 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NCC1(O)CCOCC1 ZINC000821415663 598174635 /nfs/dbraw/zinc/17/46/35/598174635.db2.gz SRWWRGGVYHZYNT-UHFFFAOYSA-N -1 0 322.317 -0.019 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NCCn1cncn1 ZINC000821432022 598174798 /nfs/dbraw/zinc/17/47/98/598174798.db2.gz PAGBHVFBJCDNJN-UHFFFAOYSA-N -1 0 303.278 -0.269 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NCC1(CO)COC1 ZINC000821415624 598175593 /nfs/dbraw/zinc/17/55/93/598175593.db2.gz RISOLPDFKNYAPF-UHFFFAOYSA-N -1 0 308.290 -0.552 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NCCn1ncnn1 ZINC000821431953 598175821 /nfs/dbraw/zinc/17/58/21/598175821.db2.gz KBFYGAGTEQZTTI-UHFFFAOYSA-N -1 0 304.266 -0.874 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N(C)CCC(=O)[O-])O1 ZINC000820524305 598180302 /nfs/dbraw/zinc/18/03/02/598180302.db2.gz RBEWRUAPEZBHDO-VHSXEESVSA-N -1 0 301.343 -0.262 20 0 DBADRM NS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000063009302 598186898 /nfs/dbraw/zinc/18/68/98/598186898.db2.gz ZGBMKUJLWQTVRZ-UHFFFAOYSA-N -1 0 305.287 -0.066 20 0 DBADRM Cc1csc2ncc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c(=O)n12 ZINC000262728276 598194943 /nfs/dbraw/zinc/19/49/43/598194943.db2.gz CIZFOVNRWSVBDI-SECBINFHSA-N -1 0 323.330 -0.010 20 0 DBADRM C[C@H](CNS(=O)(=O)N(C)CCC(=O)[O-])Cn1cccn1 ZINC000827503604 600992979 /nfs/dbraw/zinc/99/29/79/600992979.db2.gz ZXFHMYWAJUJRKC-SNVBAGLBSA-N -1 0 304.372 -0.240 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2CCOCO2)c1 ZINC000736941309 598635855 /nfs/dbraw/zinc/63/58/55/598635855.db2.gz RVQSZUFOWQDGKE-SECBINFHSA-N -1 0 321.293 -0.422 20 0 DBADRM CCc1nn(Cc2nnnn2C)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736706477 598642453 /nfs/dbraw/zinc/64/24/53/598642453.db2.gz LWNMWFPPJLICDF-UHFFFAOYSA-N -1 0 316.329 -0.880 20 0 DBADRM CC[C@H](C)CN(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736322133 598674849 /nfs/dbraw/zinc/67/48/49/598674849.db2.gz IHVHLSFUTNRBOO-QMMMGPOBSA-N -1 0 307.358 -0.254 20 0 DBADRM C[C@]1(c2ccc(-c3nn[nH]n3)cc2)NC(=O)N(CC(=O)[O-])C1=O ZINC000820628549 607365729 /nfs/dbraw/zinc/36/57/29/607365729.db2.gz HFWHKFLOBBJRJN-CYBMUJFWSA-N -1 0 316.277 -0.282 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736658852 598751865 /nfs/dbraw/zinc/75/18/65/598751865.db2.gz LGDQZFCEODCDRF-UHFFFAOYSA-N -1 0 311.323 -0.289 20 0 DBADRM CC[C@@H](C)[C@@H](O)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736326643 598774271 /nfs/dbraw/zinc/77/42/71/598774271.db2.gz BZAMTHLPUDRLGI-SFYZADRCSA-N -1 0 323.357 -0.917 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCCC(C)(C)C2)n(C)c1=O ZINC000737598128 598795808 /nfs/dbraw/zinc/79/58/08/598795808.db2.gz ZCRUHZBIKIOOKH-UHFFFAOYSA-N -1 0 319.369 -0.110 20 0 DBADRM CCCN(CCC)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736473913 598814098 /nfs/dbraw/zinc/81/40/98/598814098.db2.gz VYDNYUGEHZIHRR-UHFFFAOYSA-N -1 0 307.358 -0.110 20 0 DBADRM C[C@@H]1CCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@@H]1C ZINC000820709214 599578822 /nfs/dbraw/zinc/57/88/22/599578822.db2.gz GCURTJDEFWZOAU-RKDXNWHRSA-N -1 0 319.369 -0.111 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000737067074 599703040 /nfs/dbraw/zinc/70/30/40/599703040.db2.gz GTBIRFDXBKLBRF-ZJUUUORDSA-N -1 0 314.338 -0.377 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736206320 599708321 /nfs/dbraw/zinc/70/83/21/599708321.db2.gz DKUNPWQRLFYUNP-MXWKQRLJSA-N -1 0 318.395 -0.525 20 0 DBADRM NC(=O)COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000321038324 599709214 /nfs/dbraw/zinc/70/92/14/599709214.db2.gz VUBXQSSDUGIBMR-LBPRGKRZSA-N -1 0 321.333 -0.674 20 0 DBADRM Cc1occc1C(=O)NC1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000738986921 599709522 /nfs/dbraw/zinc/70/95/22/599709522.db2.gz VOFVPMNXERAYGZ-UHFFFAOYSA-N -1 0 323.349 -0.017 20 0 DBADRM NS(=O)(=O)N1CCN([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000739188047 599710275 /nfs/dbraw/zinc/71/02/75/599710275.db2.gz DYNJKRNCARNIEQ-NSHDSACASA-N -1 0 317.342 -0.228 20 0 DBADRM COC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000037047148 599713306 /nfs/dbraw/zinc/71/33/06/599713306.db2.gz XUEJPZWBSAODQF-QMMMGPOBSA-N -1 0 317.319 -0.010 20 0 DBADRM O=C([O-])Nc1cc(NC(=O)C(=O)N2CCNC(=O)C2)ccc1F ZINC000740001511 599723850 /nfs/dbraw/zinc/72/38/50/599723850.db2.gz CQKJVDIXDAIIML-UHFFFAOYSA-N -1 0 324.268 -0.188 20 0 DBADRM Cc1nccn1CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000738894025 599730768 /nfs/dbraw/zinc/73/07/68/599730768.db2.gz GGJIAYVYPVRLIE-LLVKDONJSA-N -1 0 308.338 -0.227 20 0 DBADRM Cn1nnc2cc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])ccc21 ZINC000739062467 599732546 /nfs/dbraw/zinc/73/25/46/599732546.db2.gz QIDMKGDRYGPPQK-NSHDSACASA-N -1 0 317.305 -0.616 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)s1 ZINC000739189075 599736319 /nfs/dbraw/zinc/73/63/19/599736319.db2.gz JZQDGQPFPOCLQW-ZCFIWIBFSA-N -1 0 304.349 -0.058 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000737349553 599741652 /nfs/dbraw/zinc/74/16/52/599741652.db2.gz AGDUHZSRNBMBKM-UHFFFAOYSA-N -1 0 300.359 -0.733 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)CCSCC(=O)[O-] ZINC000737388994 599742095 /nfs/dbraw/zinc/74/20/95/599742095.db2.gz LTGJSONKITXQNQ-UHFFFAOYSA-N -1 0 304.368 -0.489 20 0 DBADRM CCOc1ccc(C(=O)NCC(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000737194154 599742910 /nfs/dbraw/zinc/74/29/10/599742910.db2.gz CAYBSEKNDCBDEP-NSHDSACASA-N -1 0 310.306 -0.623 20 0 DBADRM Cc1ccc(N2C[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])CC2=O)cc1 ZINC000170581052 599743363 /nfs/dbraw/zinc/74/33/63/599743363.db2.gz BIWADVFDADPBOD-JQWIXIFHSA-N -1 0 306.318 -0.090 20 0 DBADRM O=C([O-])NCCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000739940678 599743653 /nfs/dbraw/zinc/74/36/53/599743653.db2.gz YFMCYVXQUHKLSM-LLVKDONJSA-N -1 0 313.354 -0.259 20 0 DBADRM CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000037430030 599744158 /nfs/dbraw/zinc/74/41/58/599744158.db2.gz KAQYDWCBTKTCDM-JTQLQIEISA-N -1 0 316.335 -0.840 20 0 DBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000736888458 599744552 /nfs/dbraw/zinc/74/45/52/599744552.db2.gz XPPXEFOTDHBXOJ-LLVKDONJSA-N -1 0 314.386 -0.297 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCN1C(=O)COc2ccccc21 ZINC000075217671 599744980 /nfs/dbraw/zinc/74/49/80/599744980.db2.gz BXUUDFBKRQQCAM-VIFPVBQESA-N -1 0 308.290 -0.636 20 0 DBADRM COc1ccc([C@@H](CC(=O)N[C@@H](CO)C(=O)[O-])NC(C)=O)cc1 ZINC000737949806 599745303 /nfs/dbraw/zinc/74/53/03/599745303.db2.gz OXVIHZZJVGWWIN-OLZOCXBDSA-N -1 0 324.333 -0.176 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)CCCN(C)C(=O)[O-] ZINC000736478128 599745319 /nfs/dbraw/zinc/74/53/19/599745319.db2.gz SKFCSUBOQGNCIT-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM NS(=O)(=O)c1cccc(CNC(=O)CCNC(=O)[O-])c1 ZINC000739201912 599745692 /nfs/dbraw/zinc/74/56/92/599745692.db2.gz VLMNWIHZKKSIJW-UHFFFAOYSA-N -1 0 301.324 -0.392 20 0 DBADRM CCCS(=O)(=O)N1CCC(NC(=O)CCNC(=O)[O-])CC1 ZINC000737035466 599746504 /nfs/dbraw/zinc/74/65/04/599746504.db2.gz LLBXIBUJKXSRQG-UHFFFAOYSA-N -1 0 321.399 -0.036 20 0 DBADRM CCN(CCCNC(=O)CCCNC(=O)[O-])S(C)(=O)=O ZINC000737101033 599749332 /nfs/dbraw/zinc/74/93/32/599749332.db2.gz SSXSZJZUVCWESE-UHFFFAOYSA-N -1 0 309.388 -0.178 20 0 DBADRM O=C([O-])NCCC(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000739937010 599750239 /nfs/dbraw/zinc/75/02/39/599750239.db2.gz BPQMGDXGFCSEGB-CYBMUJFWSA-N -1 0 317.411 -0.032 20 0 DBADRM CC(C)[C@H](C(=O)O[C@H](C)C(=O)NCC(=O)[O-])N1CCCC1=O ZINC000736686497 599750891 /nfs/dbraw/zinc/75/08/91/599750891.db2.gz SQRNIOYEAOFQDM-BXKDBHETSA-N -1 0 314.338 -0.234 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)CCCNC(=O)[O-])C1 ZINC000738160276 599751461 /nfs/dbraw/zinc/75/14/61/599751461.db2.gz IZAURARCTXMVNG-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM O=C([O-])CSCCC(=O)NCCN1CCS(=O)(=O)CC1 ZINC000739847257 599751484 /nfs/dbraw/zinc/75/14/84/599751484.db2.gz YAOAAJANTFUBDT-UHFFFAOYSA-N -1 0 324.424 -0.959 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1COc2ccccc2O1 ZINC000737605241 599751592 /nfs/dbraw/zinc/75/15/92/599751592.db2.gz VQCLDYHLZGXONT-LLVKDONJSA-N -1 0 309.274 -0.087 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCNC(=O)C(C)(C)C ZINC000737603136 599751670 /nfs/dbraw/zinc/75/16/70/599751670.db2.gz IVRNOGSBMVGWKH-UHFFFAOYSA-N -1 0 302.327 -0.375 20 0 DBADRM O=C([O-])CSCCC(=O)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000739842258 599753946 /nfs/dbraw/zinc/75/39/46/599753946.db2.gz FAJQNIDVQAFTSH-QMMMGPOBSA-N -1 0 300.336 -0.400 20 0 DBADRM NC(=O)CN1CCCN(C(=O)CCSCC(=O)[O-])CC1 ZINC000739163883 599758917 /nfs/dbraw/zinc/75/89/17/599758917.db2.gz WBPVGXDXZHEQLM-UHFFFAOYSA-N -1 0 303.384 -0.786 20 0 DBADRM NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000020593310 599765859 /nfs/dbraw/zinc/76/58/59/599765859.db2.gz TWBQRXBUMKLMRB-SSDOTTSWSA-N -1 0 302.308 -0.136 20 0 DBADRM C[C@@H](NC(=O)CN[C@@H](C(=O)[O-])c1ccccc1)C(=O)N(C)C ZINC000736638569 599781510 /nfs/dbraw/zinc/78/15/10/599781510.db2.gz IGTYITVJMQQCDW-ZWNOBZJWSA-N -1 0 307.350 -0.005 20 0 DBADRM O=C([O-])CC1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000738564154 599782627 /nfs/dbraw/zinc/78/26/27/599782627.db2.gz XWDIOONEJOIEPV-UHFFFAOYSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])NCCCC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000739952757 599783845 /nfs/dbraw/zinc/78/38/45/599783845.db2.gz DTDHKKGJWVLAJD-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)NCCCCC(=O)[O-])C1 ZINC000400116102 599791948 /nfs/dbraw/zinc/79/19/48/599791948.db2.gz IKVIXJCSULNXKU-JTQLQIEISA-N -1 0 321.399 -0.036 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000736363889 599822373 /nfs/dbraw/zinc/82/23/73/599822373.db2.gz QNTSTLCLCLAVEI-AMIZOPFISA-N -1 0 312.326 -0.569 20 0 DBADRM CCOC(=O)[C@H]1CCCN(C(=O)Cn2cnc(C(=O)[O-])n2)C1 ZINC000737134927 599823684 /nfs/dbraw/zinc/82/36/84/599823684.db2.gz SIYBHSHLPDRWCO-VIFPVBQESA-N -1 0 310.310 -0.222 20 0 DBADRM NS(=O)(=O)c1ccc(OCCn2cnc(C(=O)[O-])n2)cc1 ZINC000739197050 599825895 /nfs/dbraw/zinc/82/58/95/599825895.db2.gz FPEBZVVIWBSLIW-UHFFFAOYSA-N -1 0 312.307 -0.297 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000736821367 599833688 /nfs/dbraw/zinc/83/36/88/599833688.db2.gz LJWSUXSELYEEFV-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000736324027 599834372 /nfs/dbraw/zinc/83/43/72/599834372.db2.gz BJFZWFRGXHLUGX-JTQLQIEISA-N -1 0 313.354 -0.118 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000736365690 599840657 /nfs/dbraw/zinc/84/06/57/599840657.db2.gz RXMTWHYRNPMHBQ-GFCCVEGCSA-N -1 0 314.386 -0.489 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCCN(C)S(C)(=O)=O ZINC000736371026 599843415 /nfs/dbraw/zinc/84/34/15/599843415.db2.gz YBFKGCJHBSCGCR-SECBINFHSA-N -1 0 309.388 -0.324 20 0 DBADRM COc1cc(OC)cc(C(=O)NCC(=O)N(C)CC(=O)[O-])c1 ZINC000737902933 599852984 /nfs/dbraw/zinc/85/29/84/599852984.db2.gz PXNWUCWECQHJFO-UHFFFAOYSA-N -1 0 310.306 -0.023 20 0 DBADRM C[C@H](NC(=O)COC(=O)C(C)(C)NC(=O)[O-])C(=O)N(C)C ZINC000736639501 599862877 /nfs/dbraw/zinc/86/28/77/599862877.db2.gz UBSNOUFLBUZRSG-ZETCQYMHSA-N -1 0 303.315 -0.831 20 0 DBADRM C[C@H](OC(=O)C1(C(=O)NC2CC2)CCC1)C(=O)NCC(=O)[O-] ZINC000736681286 599865720 /nfs/dbraw/zinc/86/57/20/599865720.db2.gz ATXFLHKHJSHLNW-QMMMGPOBSA-N -1 0 312.322 -0.432 20 0 DBADRM C[C@H]1Oc2c(cccc2C(=O)OCC(=O)NCC(=O)[O-])NC1=O ZINC000736838475 599866098 /nfs/dbraw/zinc/86/60/98/599866098.db2.gz XRXHCNBYGZIONO-SSDOTTSWSA-N -1 0 322.273 -0.236 20 0 DBADRM C[C@@H]1Oc2c(cccc2C(=O)OCC(=O)NCC(=O)[O-])NC1=O ZINC000736838476 599866144 /nfs/dbraw/zinc/86/61/44/599866144.db2.gz XRXHCNBYGZIONO-ZETCQYMHSA-N -1 0 322.273 -0.236 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1 ZINC000088056988 599874644 /nfs/dbraw/zinc/87/46/44/599874644.db2.gz NXKRAMQKPDOFIB-JTQLQIEISA-N -1 0 315.303 -0.256 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000737114801 599875589 /nfs/dbraw/zinc/87/55/89/599875589.db2.gz GLVMIDUAGRRDOY-GFCCVEGCSA-N -1 0 314.386 -0.441 20 0 DBADRM Cc1ccc(N2CCCN([C@H](C)C(=O)NCC(=O)[O-])CC2)nn1 ZINC000738614215 599915257 /nfs/dbraw/zinc/91/52/57/599915257.db2.gz HDCIEIJNRNSTRR-GFCCVEGCSA-N -1 0 321.381 -0.114 20 0 DBADRM NC(=O)CCNC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000739158221 599917854 /nfs/dbraw/zinc/91/78/54/599917854.db2.gz VZEIODFQXSVQRV-NXEZZACHSA-N -1 0 319.317 -0.049 20 0 DBADRM Cc1cnn(C[C@H]2CN([C@@H](C)C(=O)NCC(=O)[O-])CCO2)c1 ZINC000738812885 599920382 /nfs/dbraw/zinc/92/03/82/599920382.db2.gz XIJFILYXBXQADJ-NWDGAFQWSA-N -1 0 310.354 -0.518 20 0 DBADRM Cc1noc([C@@H](C)N2CCN(CC(=O)NCC(=O)[O-])CC2)n1 ZINC000738937665 599923211 /nfs/dbraw/zinc/92/32/11/599923211.db2.gz OZRLXPKCXQLREX-SECBINFHSA-N -1 0 311.342 -0.743 20 0 DBADRM Cc1cc(C)n(C[C@@H]2CN(CC(=O)NCC(=O)[O-])CCO2)n1 ZINC000738371485 599924648 /nfs/dbraw/zinc/92/46/48/599924648.db2.gz XWORDGFKMIVCAJ-LBPRGKRZSA-N -1 0 310.354 -0.598 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)c1cccc(C(=O)[O-])n1 ZINC000737223139 599928763 /nfs/dbraw/zinc/92/87/63/599928763.db2.gz XKLJMFLVAUTUDR-UHFFFAOYSA-N -1 0 315.351 -0.161 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)C1CCCCC1 ZINC000071240867 599930685 /nfs/dbraw/zinc/93/06/85/599930685.db2.gz DLODHLRAFGUXJJ-JTQLQIEISA-N -1 0 304.368 -0.076 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCC3(C2)OCCO3)CC1 ZINC000396563503 599938963 /nfs/dbraw/zinc/93/89/63/599938963.db2.gz ZCAVWXYAZRUNER-UHFFFAOYSA-N -1 0 320.367 -0.523 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)CCO1 ZINC000262031526 599946047 /nfs/dbraw/zinc/94/60/47/599946047.db2.gz YVYVQJCKJLMDQG-SECBINFHSA-N -1 0 323.330 -0.230 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Cn2c(=O)cnc3ccccc32)CCO1 ZINC000738546863 599946272 /nfs/dbraw/zinc/94/62/72/599946272.db2.gz RMAIHPHOAFLHRG-GFCCVEGCSA-N -1 0 317.301 -0.292 20 0 DBADRM Cn1nc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c2ccccc2c1=O ZINC000738419699 599947293 /nfs/dbraw/zinc/94/72/93/599947293.db2.gz TUIJCXZSUCTFII-NSHDSACASA-N -1 0 317.301 -0.141 20 0 DBADRM CC(=O)NC1(C(=O)OCC(=O)NCCC(=O)[O-])CCCC1 ZINC000736147473 599951858 /nfs/dbraw/zinc/95/18/58/599951858.db2.gz WKDKFHMBJSZUSG-UHFFFAOYSA-N -1 0 300.311 -0.431 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000737614283 599953525 /nfs/dbraw/zinc/95/35/25/599953525.db2.gz AYADRQADDCIQQC-ZDUSSCGKSA-N -1 0 313.310 -0.776 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cccnc2-n2cncn2)CCO1 ZINC000738548630 599956549 /nfs/dbraw/zinc/95/65/49/599956549.db2.gz YPSQSOCHSPINHU-JTQLQIEISA-N -1 0 318.293 -0.020 20 0 DBADRM CC(C)C[C@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000032077306 599958882 /nfs/dbraw/zinc/95/88/82/599958882.db2.gz MXBYZPUNHPHZBK-MNOVXSKESA-N -1 0 320.411 -0.279 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000736412376 599959715 /nfs/dbraw/zinc/95/97/15/599959715.db2.gz MXBYZPUNHPHZBK-WDEREUQCSA-N -1 0 320.411 -0.279 20 0 DBADRM CC(C)C[C@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000736412375 599959755 /nfs/dbraw/zinc/95/97/55/599959755.db2.gz MXBYZPUNHPHZBK-QWRGUYRKSA-N -1 0 320.411 -0.279 20 0 DBADRM O=C([O-])c1ccc(OCCNC(=O)N2CCNC(=O)C2)cc1 ZINC000740305634 599960674 /nfs/dbraw/zinc/96/06/74/599960674.db2.gz NDFMDBSMCMEXKC-UHFFFAOYSA-N -1 0 307.306 -0.095 20 0 DBADRM O=C([O-])[C@H]1CN(CC(=O)N2CCC3(CC2)OCCO3)CCO1 ZINC000738547981 599966413 /nfs/dbraw/zinc/96/64/13/599966413.db2.gz GGAAXNIELXJLMA-LLVKDONJSA-N -1 0 314.338 -0.863 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CN2CCO[C@@H](C(=O)[O-])C2)o1 ZINC000737376230 599968354 /nfs/dbraw/zinc/96/83/54/599968354.db2.gz PQZPEANLHCKPHJ-SNVBAGLBSA-N -1 0 318.351 -0.185 20 0 DBADRM C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCO[C@H](C(=O)[O-])C1 ZINC000736211357 599973270 /nfs/dbraw/zinc/97/32/70/599973270.db2.gz KHJIHGLELUTWQQ-IUCAKERBSA-N -1 0 301.343 -0.215 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCO[C@@H](C(=O)[O-])C1)C(=O)OC ZINC000736881986 599974642 /nfs/dbraw/zinc/97/46/42/599974642.db2.gz GPYBHJVCOUVTDB-UMNHJUIQSA-N -1 0 316.354 -0.524 20 0 DBADRM O=C(CN1CCO[C@@H](C(=O)[O-])C1)NC(=O)NCc1ccco1 ZINC000387056744 599977868 /nfs/dbraw/zinc/97/78/68/599977868.db2.gz QWQSFIJEVZVCRS-SNVBAGLBSA-N -1 0 311.294 -0.609 20 0 DBADRM C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736214436 599978185 /nfs/dbraw/zinc/97/81/85/599978185.db2.gz GTESHJTYLJOFRJ-JOYOIKCWSA-N -1 0 321.333 -0.102 20 0 DBADRM C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736214434 599978286 /nfs/dbraw/zinc/97/82/86/599978286.db2.gz GTESHJTYLJOFRJ-BXKDBHETSA-N -1 0 321.333 -0.102 20 0 DBADRM CN1C(=S)N=NC1CCNC(=O)CCSCC(=O)[O-] ZINC000739013126 599990272 /nfs/dbraw/zinc/99/02/72/599990272.db2.gz AWTRXZGJSXDHGX-UHFFFAOYSA-N -1 0 304.397 -0.030 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)NCCCN2C(=O)CCC2=O)CCO1 ZINC000738547355 599997513 /nfs/dbraw/zinc/99/75/13/599997513.db2.gz YANUEPUDHUODLS-VIFPVBQESA-N -1 0 313.310 -0.980 20 0 DBADRM NC(=O)COc1ccc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000738442338 600006952 /nfs/dbraw/zinc/00/69/52/600006952.db2.gz ZGXDMHUVRIABCP-LLVKDONJSA-N -1 0 323.305 -0.132 20 0 DBADRM NC(=O)COc1ccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000738442339 600007160 /nfs/dbraw/zinc/00/71/60/600007160.db2.gz ZGXDMHUVRIABCP-NSHDSACASA-N -1 0 323.305 -0.132 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCN(C(=O)c2ccco2)CC1 ZINC000739735261 600007693 /nfs/dbraw/zinc/00/76/93/600007693.db2.gz UBGUSODMGUTCNM-UHFFFAOYSA-N -1 0 309.322 -0.372 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CN1CCCCCCC1=O ZINC000737604959 600007800 /nfs/dbraw/zinc/00/78/00/600007800.db2.gz IAWAMKBAZRHFKZ-UHFFFAOYSA-N -1 0 314.338 -0.135 20 0 DBADRM CS(=O)(=O)NCCNC(=S)N1CCC(CC(=O)[O-])CC1 ZINC000738139179 600008105 /nfs/dbraw/zinc/00/81/05/600008105.db2.gz NSRBWLOGHXPGNX-UHFFFAOYSA-N -1 0 323.440 -0.403 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc(C(N)=O)cs1 ZINC000737611549 600008137 /nfs/dbraw/zinc/00/81/37/600008137.db2.gz SKPDJXQMGMMYOY-UHFFFAOYSA-N -1 0 300.292 -0.453 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(-n2cncn2)cc1 ZINC000737608846 600009039 /nfs/dbraw/zinc/00/90/39/600009039.db2.gz PQBWKZVEEZZWOM-UHFFFAOYSA-N -1 0 318.289 -0.033 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(C(=O)OC)cn1 ZINC000737608513 600009108 /nfs/dbraw/zinc/00/91/08/600009108.db2.gz HXTQNAHIDKEZBN-UHFFFAOYSA-N -1 0 310.262 -0.432 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000737620244 600009815 /nfs/dbraw/zinc/00/98/15/600009815.db2.gz STQSBCYVNHPIRD-UHFFFAOYSA-N -1 0 310.262 -0.432 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000737610640 600010040 /nfs/dbraw/zinc/01/00/40/600010040.db2.gz LGEDCBZSVLLABK-UHFFFAOYSA-N -1 0 321.289 -0.172 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC000737604470 600010182 /nfs/dbraw/zinc/01/01/82/600010182.db2.gz KYCYOXOKDWTSEC-MRVPVSSYSA-N -1 0 302.327 -0.377 20 0 DBADRM COC(=O)CN(CC(=O)[O-])CC(=O)NC(=O)NC1CCCC1 ZINC000737616081 600012838 /nfs/dbraw/zinc/01/28/38/600012838.db2.gz SHENBNIZMDBMRO-UHFFFAOYSA-N -1 0 315.326 -0.686 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000390270366 600016749 /nfs/dbraw/zinc/01/67/49/600016749.db2.gz QZXYZECGVWFCKN-UHFFFAOYSA-N -1 0 321.399 -0.132 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)nn1 ZINC000737350148 600022256 /nfs/dbraw/zinc/02/22/56/600022256.db2.gz UPERHPWLTYQLFD-VIFPVBQESA-N -1 0 309.326 -0.697 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)o1 ZINC000262240149 600030560 /nfs/dbraw/zinc/03/05/60/600030560.db2.gz UGPZDFXGHGVZQJ-ZETCQYMHSA-N -1 0 302.308 -0.136 20 0 DBADRM CCCCNC(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000736999598 600031237 /nfs/dbraw/zinc/03/12/37/600031237.db2.gz ZIJLXKSXYNDEMJ-UHFFFAOYSA-N -1 0 307.310 -0.406 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000738441596 600036816 /nfs/dbraw/zinc/03/68/16/600036816.db2.gz AUTUINCTXGGVGF-NSHDSACASA-N -1 0 307.306 -0.220 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000737632855 600040402 /nfs/dbraw/zinc/04/04/02/600040402.db2.gz JVYVOOQJMGJIPZ-NXEZZACHSA-N -1 0 315.326 -0.288 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CN1CCNC(=O)C1 ZINC000740307726 600047021 /nfs/dbraw/zinc/04/70/21/600047021.db2.gz UPTUARWDIPJMHX-LBPRGKRZSA-N -1 0 305.334 -0.770 20 0 DBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000737536153 600048952 /nfs/dbraw/zinc/04/89/52/600048952.db2.gz FOUGYXQRHVVYCO-UHFFFAOYSA-N -1 0 307.306 -0.164 20 0 DBADRM COc1cccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000738106735 600051707 /nfs/dbraw/zinc/05/17/07/600051707.db2.gz PQJWJCQVSKAAQX-NSHDSACASA-N -1 0 308.290 -0.054 20 0 DBADRM COc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000738106730 600051899 /nfs/dbraw/zinc/05/18/99/600051899.db2.gz PQJWJCQVSKAAQX-LLVKDONJSA-N -1 0 308.290 -0.054 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000738020382 600054119 /nfs/dbraw/zinc/05/41/19/600054119.db2.gz BGYKBGHXOLQPSM-SECBINFHSA-N -1 0 309.278 -0.659 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000739182040 600055408 /nfs/dbraw/zinc/05/54/08/600055408.db2.gz BRRBPURNZYEFOA-SNVBAGLBSA-N -1 0 321.289 -0.964 20 0 DBADRM Cn1c(=O)c2cc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])cnc2n(C)c1=O ZINC000739006563 600064042 /nfs/dbraw/zinc/06/40/42/600064042.db2.gz UJRNDEQJBILBIE-SFYZADRCSA-N -1 0 318.289 -0.709 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000740306963 600071141 /nfs/dbraw/zinc/07/11/41/600071141.db2.gz KGOWEWUNYGDLNK-UWVGGRQHSA-N -1 0 304.306 -0.323 20 0 DBADRM NC(=O)CNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000739163889 600071812 /nfs/dbraw/zinc/07/18/12/600071812.db2.gz WDDMFUQUSYMXIM-VHSXEESVSA-N -1 0 305.290 -0.439 20 0 DBADRM CS(=O)(=O)CCN1CCC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000738153285 600073593 /nfs/dbraw/zinc/07/35/93/600073593.db2.gz PGMYGQJCUQMJLI-GHMZBOCLSA-N -1 0 318.395 -0.668 20 0 DBADRM C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000110662597 600095250 /nfs/dbraw/zinc/09/52/50/600095250.db2.gz GVAKVWQEHCUWBC-LURJTMIESA-N -1 0 304.349 -0.045 20 0 DBADRM CCN(CC(=O)[O-])CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000737076386 600102109 /nfs/dbraw/zinc/10/21/09/600102109.db2.gz YVADYGOQRRRUOA-UHFFFAOYSA-N -1 0 310.310 -0.545 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)NCCSCC(=O)[O-] ZINC000739211392 600103114 /nfs/dbraw/zinc/10/31/14/600103114.db2.gz XWURJQYXXYVFHV-UHFFFAOYSA-N -1 0 310.339 -0.658 20 0 DBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC000252445931 600110094 /nfs/dbraw/zinc/11/00/94/600110094.db2.gz JDCVHLSFEBZKLT-LPEHRKFASA-N -1 0 304.368 -0.505 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000739545178 600116005 /nfs/dbraw/zinc/11/60/05/600116005.db2.gz QTKQOCXCLKGGHH-GMTAPVOTSA-N -1 0 316.379 -0.962 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NC(=O)NCc1ccco1 ZINC000318379404 600139726 /nfs/dbraw/zinc/13/97/26/600139726.db2.gz BWLSVGZYMCRNEF-SCZZXKLOSA-N -1 0 311.294 -0.875 20 0 DBADRM CNC(=O)CN(C)S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000229771258 600146079 /nfs/dbraw/zinc/14/60/79/600146079.db2.gz MTDNACLYDNKNGP-UHFFFAOYSA-N -1 0 304.299 -0.110 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)Cc1nnnn1C1CC1 ZINC000739790436 600147924 /nfs/dbraw/zinc/14/79/24/600147924.db2.gz IBMNYCWBGVSFLM-UHFFFAOYSA-N -1 0 310.358 -0.773 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000330362998 600152426 /nfs/dbraw/zinc/15/24/26/600152426.db2.gz GJUSJEOOEFDCHK-JTQLQIEISA-N -1 0 304.306 -0.051 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000739543582 600159357 /nfs/dbraw/zinc/15/93/57/600159357.db2.gz BQMNOHUQUGHYAS-CHWSQXEVSA-N -1 0 323.393 -0.136 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000736327543 600159492 /nfs/dbraw/zinc/15/94/92/600159492.db2.gz FDUNJGBGQQFRGU-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000736263222 600166968 /nfs/dbraw/zinc/16/69/68/600166968.db2.gz RIEVSJDRXGRMCD-JGVFFNPUSA-N -1 0 300.311 -0.719 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000739555625 600168471 /nfs/dbraw/zinc/16/84/71/600168471.db2.gz FGEKQVVRKKWIAH-NXEZZACHSA-N -1 0 313.306 -0.384 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000739554183 600168720 /nfs/dbraw/zinc/16/87/20/600168720.db2.gz BDMPSERLOIYIQI-WDEREUQCSA-N -1 0 324.333 -0.669 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000736133590 600169788 /nfs/dbraw/zinc/16/97/88/600169788.db2.gz AEKXUUNPCVOJKJ-LSJOCFKGSA-N -1 0 312.322 -0.671 20 0 DBADRM C[C@H](OC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)Nc1ncnc2[nH]cnc21 ZINC000736682700 600170867 /nfs/dbraw/zinc/17/08/67/600170867.db2.gz GLPIBYWCYOOEDA-XVMARJQXSA-N -1 0 319.277 -0.056 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CN1CCCCCC1=O ZINC000737605581 600171436 /nfs/dbraw/zinc/17/14/36/600171436.db2.gz ORGUKRAVFPOCIN-UHFFFAOYSA-N -1 0 300.311 -0.525 20 0 DBADRM COC(=O)c1cccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)n1 ZINC000737708657 600179266 /nfs/dbraw/zinc/17/92/66/600179266.db2.gz OEBAJTWWIMWIBJ-UHFFFAOYSA-N -1 0 305.250 -0.134 20 0 DBADRM NC(=O)NCCC(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000739166173 600179730 /nfs/dbraw/zinc/17/97/30/600179730.db2.gz FOEVXCFYNWKFMM-SNVBAGLBSA-N -1 0 309.322 -0.190 20 0 DBADRM COC(=O)C[C@@H]1CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821659132 607421120 /nfs/dbraw/zinc/42/11/20/607421120.db2.gz SDFVAFUMIGVVJZ-QMMMGPOBSA-N -1 0 320.313 -0.988 20 0 DBADRM COC(=O)N(C)CC(=O)OCc1noc(CCC(=O)[O-])n1 ZINC000737631760 600189638 /nfs/dbraw/zinc/18/96/38/600189638.db2.gz PYFNRAVLUBLOBY-UHFFFAOYSA-N -1 0 301.255 -0.172 20 0 DBADRM C[C@@H](CC(=O)[O-])S(=O)(=O)CC(=O)NCC(=O)N1CCCC1 ZINC000736550371 600191835 /nfs/dbraw/zinc/19/18/35/600191835.db2.gz OZAGMYGIQOICKY-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM C[C@H](CC(=O)[O-])S(=O)(=O)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000736548441 600193855 /nfs/dbraw/zinc/19/38/55/600193855.db2.gz BWDKMLZBVUZSDB-UTLUCORTSA-N -1 0 307.368 -0.052 20 0 DBADRM CN(CC(=O)OCc1noc(CCC(=O)[O-])n1)C(=O)C1CC1 ZINC000737406330 600194017 /nfs/dbraw/zinc/19/40/17/600194017.db2.gz NXRYWXCYRHLVOT-UHFFFAOYSA-N -1 0 311.294 -0.002 20 0 DBADRM C[C@H](CC(=O)[O-])S(=O)(=O)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000736812027 600194650 /nfs/dbraw/zinc/19/46/50/600194650.db2.gz PSSMATFDONBKHD-OPRDCNLKSA-N -1 0 307.368 -0.100 20 0 DBADRM C[C@H](CS(=O)(=O)CC(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000736812059 600198231 /nfs/dbraw/zinc/19/82/31/600198231.db2.gz PXMLKQIZGIEHOX-OPRDCNLKSA-N -1 0 307.368 -0.242 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)COC(=O)CCNC(=O)[O-] ZINC000737749908 600203789 /nfs/dbraw/zinc/20/37/89/600203789.db2.gz XNCDPTQEGIWHBV-SSDOTTSWSA-N -1 0 305.287 -0.952 20 0 DBADRM O=C([O-])CCc1nnc(NC(=O)CN2CCCNC2=O)s1 ZINC000739774598 600204867 /nfs/dbraw/zinc/20/48/67/600204867.db2.gz WUKKHRPNEWLJEN-UHFFFAOYSA-N -1 0 313.339 -0.091 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)NC(=O)NC1CC1 ZINC000736382448 600210881 /nfs/dbraw/zinc/21/08/81/600210881.db2.gz PJMXRCHNDZNDMG-SECBINFHSA-N -1 0 301.299 -0.190 20 0 DBADRM Cc1oc(C(=O)[O-])cc1COC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000738963474 600214664 /nfs/dbraw/zinc/21/46/64/600214664.db2.gz JUORNVFEZYYRMD-UHFFFAOYSA-N -1 0 324.245 -0.250 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000049098694 600226107 /nfs/dbraw/zinc/22/61/07/600226107.db2.gz JQMVRXPLFYJWNS-QMMMGPOBSA-N -1 0 300.336 -0.061 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000037739512 600227150 /nfs/dbraw/zinc/22/71/50/600227150.db2.gz SJLBQJJUVPMQSF-UHFFFAOYSA-N -1 0 321.376 -0.151 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-])C(=O)OC ZINC000736889311 600230919 /nfs/dbraw/zinc/23/09/19/600230919.db2.gz XBBNYPFDWLKQIH-WYFGTUCQSA-N -1 0 316.354 -0.790 20 0 DBADRM O=C([O-])C1CCC(NC(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000738501819 600237039 /nfs/dbraw/zinc/23/70/39/600237039.db2.gz ZBKNQNWEKOGEAM-UHFFFAOYSA-N -1 0 312.326 -0.519 20 0 DBADRM COC(=O)C[C@H](NC(=O)CN1Cc2ccccc2C1=O)C(=O)[O-] ZINC000737598177 600242408 /nfs/dbraw/zinc/24/24/08/600242408.db2.gz OJTKNJMRECZGJZ-NSHDSACASA-N -1 0 320.301 -0.225 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)OC(C)(C)C ZINC000737566535 600242978 /nfs/dbraw/zinc/24/29/78/600242978.db2.gz LUCOMGMDPOTJPT-ZETCQYMHSA-N -1 0 304.299 -0.356 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)nnn2C ZINC000737574264 600243082 /nfs/dbraw/zinc/24/30/82/600243082.db2.gz MYWVCXUINJWVEK-VIFPVBQESA-N -1 0 306.278 -0.286 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC000683304553 600258934 /nfs/dbraw/zinc/25/89/34/600258934.db2.gz VFVWAMPQAQQLCY-SECBINFHSA-N -1 0 313.335 -0.457 20 0 DBADRM CCc1nc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)no1 ZINC000737278530 600260939 /nfs/dbraw/zinc/26/09/39/600260939.db2.gz BOAUHZIXERGBJT-ZJUUUORDSA-N -1 0 308.338 -0.003 20 0 DBADRM CN1CC(=O)N(CC(=O)NCCSCCC(=O)[O-])C1=O ZINC000737505878 600261256 /nfs/dbraw/zinc/26/12/56/600261256.db2.gz RMEJFQIDQCRNBA-UHFFFAOYSA-N -1 0 303.340 -0.796 20 0 DBADRM C[C@@H](C(=O)NCCSCCC(=O)[O-])N1CCN(C)CC1 ZINC000736213523 600261360 /nfs/dbraw/zinc/26/13/60/600261360.db2.gz GGWCQBGJGYUIDJ-NSHDSACASA-N -1 0 303.428 -0.054 20 0 DBADRM CCNC(=O)CCC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737124648 600264725 /nfs/dbraw/zinc/26/47/25/600264725.db2.gz WYMATILFGWDYRD-UHFFFAOYSA-N -1 0 315.370 -0.852 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(C(=O)CCn1cc[nH]c(=O)c1=O)CC2 ZINC000739527881 600266869 /nfs/dbraw/zinc/26/68/69/600266869.db2.gz WKJRSPJSUVHIAR-JTQLQIEISA-N -1 0 321.333 -0.360 20 0 DBADRM CN(C(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-])c1nccs1 ZINC000737321140 600286199 /nfs/dbraw/zinc/28/61/99/600286199.db2.gz BMVZCCKRNAAGSY-QMMMGPOBSA-N -1 0 312.351 -0.619 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000737161035 600293318 /nfs/dbraw/zinc/29/33/18/600293318.db2.gz CMDRRJSRDMFRAQ-GFCCVEGCSA-N -1 0 317.386 -0.424 20 0 DBADRM C[C@@H](NC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1)C(=O)N(C)C ZINC000736642353 600293688 /nfs/dbraw/zinc/29/36/88/600293688.db2.gz ZDBGPLISCHBLCE-MNOVXSKESA-N -1 0 311.382 -0.234 20 0 DBADRM C[C@H](NC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1)C(=O)N(C)C ZINC000736642355 600293694 /nfs/dbraw/zinc/29/36/94/600293694.db2.gz ZDBGPLISCHBLCE-WDEREUQCSA-N -1 0 311.382 -0.234 20 0 DBADRM COC(=O)[C@@H]1CN(Cc2noc(CCCC(=O)[O-])n2)CCO1 ZINC000737586563 600298984 /nfs/dbraw/zinc/29/89/84/600298984.db2.gz ARKHYZKNDSPGFO-VIFPVBQESA-N -1 0 313.310 -0.149 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCNC(=O)C2)c(F)c1 ZINC000740306005 600307032 /nfs/dbraw/zinc/30/70/32/600307032.db2.gz QDUHNAPMMFSWRS-UHFFFAOYSA-N -1 0 309.253 -0.579 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000737402438 600312214 /nfs/dbraw/zinc/31/22/14/600312214.db2.gz HXHQHGJIHWITPK-NSHDSACASA-N -1 0 318.395 -0.429 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000739294572 600313065 /nfs/dbraw/zinc/31/30/65/600313065.db2.gz XLLWZKWYNOPPFU-UPJWGTAASA-N -1 0 320.345 -0.374 20 0 DBADRM Cn1c(CN(CCN2CCOCC2)CC(=O)[O-])nnc1C1CC1 ZINC000739013522 600316430 /nfs/dbraw/zinc/31/64/30/600316430.db2.gz CVOUWSIFHTUQQP-UHFFFAOYSA-N -1 0 323.397 -0.089 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)CC(=O)Nc1ccon1 ZINC000739791016 600316947 /nfs/dbraw/zinc/31/69/47/600316947.db2.gz KSANFPZZDXJIHB-UHFFFAOYSA-N -1 0 312.326 -0.668 20 0 DBADRM O=C([O-])C1(NC(=O)CN(CCO)CCCO)CCCCC1 ZINC000739273830 600318584 /nfs/dbraw/zinc/31/85/84/600318584.db2.gz JTXIBXUKGYSQFJ-UHFFFAOYSA-N -1 0 302.371 -0.433 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)NCCOCCO)cc1 ZINC000739877069 600330430 /nfs/dbraw/zinc/33/04/30/600330430.db2.gz JLZPFVRYLGLTIK-UHFFFAOYSA-N -1 0 310.306 -0.623 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000737649981 600340413 /nfs/dbraw/zinc/34/04/13/600340413.db2.gz KEYNCPMGKFYIDT-UHFFFAOYSA-N -1 0 305.312 -0.400 20 0 DBADRM CCNC(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000737123465 600333290 /nfs/dbraw/zinc/33/32/90/600333290.db2.gz CCBPGBAGOJFQOE-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000738589170 600333727 /nfs/dbraw/zinc/33/37/27/600333727.db2.gz VSWBIBISHIFODA-UHFFFAOYSA-N -1 0 305.290 -0.498 20 0 DBADRM Cn1c(=O)oc2cc(NC(=O)C(=O)NCCC(=O)[O-])ccc21 ZINC000738401158 600334123 /nfs/dbraw/zinc/33/41/23/600334123.db2.gz XSMGYAZJSCLVBE-UHFFFAOYSA-N -1 0 307.262 -0.339 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCCS(=O)(=O)CC1)C(=O)[O-] ZINC000736410400 600334403 /nfs/dbraw/zinc/33/44/03/600334403.db2.gz CCSMNZUVSFUSGL-LLVKDONJSA-N -1 0 320.411 -0.278 20 0 DBADRM NC(=O)c1ccc(F)c(NC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000739178645 600336957 /nfs/dbraw/zinc/33/69/57/600336957.db2.gz ZIUYLCOTIBTCDG-UHFFFAOYSA-N -1 0 311.269 -0.156 20 0 DBADRM CCN(CC(=O)N(C)C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000070197658 600339840 /nfs/dbraw/zinc/33/98/40/600339840.db2.gz XRJPFTGRFPEGQH-UHFFFAOYSA-N -1 0 318.355 -0.485 20 0 DBADRM COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000070446548 600339925 /nfs/dbraw/zinc/33/99/25/600339925.db2.gz SKXIZVRXKMDFFA-LURJTMIESA-N -1 0 319.339 -0.154 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCC2(O)CCOCC2)cc1 ZINC000738498812 600340971 /nfs/dbraw/zinc/34/09/71/600340971.db2.gz UKOJBKHYIJWBTH-UHFFFAOYSA-N -1 0 322.317 -0.019 20 0 DBADRM C[C@@H](CNC(=O)C(=O)Nc1cc(C(N)=O)ccc1F)C(=O)[O-] ZINC000736587083 600343065 /nfs/dbraw/zinc/34/30/65/600343065.db2.gz UTYRZQGLHXIUOD-LURJTMIESA-N -1 0 311.269 -0.300 20 0 DBADRM O=C([O-])[C@@H]1CC12CCN(C(=O)NCCN1C(=O)CNC1=O)CC2 ZINC000739524529 600354090 /nfs/dbraw/zinc/35/40/90/600354090.db2.gz HABKZGFNGLEGIH-VIFPVBQESA-N -1 0 324.337 -0.566 20 0 DBADRM O=C([O-])C[C@H](NC(=O)CN1CC(=O)NC1=O)c1ccccc1 ZINC000738562915 600359606 /nfs/dbraw/zinc/35/96/06/600359606.db2.gz DXCZVKJMZYAXFF-JTQLQIEISA-N -1 0 305.290 -0.130 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000261621661 600362095 /nfs/dbraw/zinc/36/20/95/600362095.db2.gz BYUKPECEEDBQAB-LLVKDONJSA-N -1 0 313.354 -0.658 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)NC(=O)C1CCCC1 ZINC000737605683 600366722 /nfs/dbraw/zinc/36/67/22/600366722.db2.gz SPISDFZZYSHLKK-VIFPVBQESA-N -1 0 314.338 -0.233 20 0 DBADRM O=C(COC(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C(=O)[O-])cc1 ZINC000738471900 600369700 /nfs/dbraw/zinc/36/97/00/600369700.db2.gz NVZQMZKWUAURGT-VIFPVBQESA-N -1 0 307.262 -0.452 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=S)NCCCC(=O)[O-])CCO1 ZINC000736149304 600379618 /nfs/dbraw/zinc/37/96/18/600379618.db2.gz XJWKGZDBVPTSBL-SNVBAGLBSA-N -1 0 303.384 -0.437 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@H](C)Sc1nncn1C ZINC000737768136 600385854 /nfs/dbraw/zinc/38/58/54/600385854.db2.gz ROFCSNWIJNROOC-QMMMGPOBSA-N -1 0 302.356 -0.145 20 0 DBADRM NC(=O)CCn1ccc(NC(=O)CCSCC(=O)[O-])n1 ZINC000739157147 600390527 /nfs/dbraw/zinc/39/05/27/600390527.db2.gz IZVVLZLMTYTKRC-UHFFFAOYSA-N -1 0 300.340 -0.095 20 0 DBADRM CC1(C)C(=O)NCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000110661680 600413184 /nfs/dbraw/zinc/41/31/84/600413184.db2.gz OWWJEMIFEUZEGK-UHFFFAOYSA-N -1 0 319.383 -0.762 20 0 DBADRM CCOCCS(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737178455 600414196 /nfs/dbraw/zinc/41/41/96/600414196.db2.gz XZVDJXDWGMYPNO-UHFFFAOYSA-N -1 0 324.399 -0.929 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000739193989 600415222 /nfs/dbraw/zinc/41/52/22/600415222.db2.gz WDYUUGVOEXOKQD-SECBINFHSA-N -1 0 313.335 -0.327 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000739193990 600415343 /nfs/dbraw/zinc/41/53/43/600415343.db2.gz WDYUUGVOEXOKQD-VIFPVBQESA-N -1 0 313.335 -0.327 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])N1CCS(=O)CC1 ZINC000736320210 600419002 /nfs/dbraw/zinc/41/90/02/600419002.db2.gz LRWWEBLQHUKAGX-NXEZZACHSA-N -1 0 302.396 -0.334 20 0 DBADRM Cc1cnn(C[C@@H]2CN(Cn3cnc(C(=O)[O-])n3)CCO2)c1 ZINC000738811161 600431477 /nfs/dbraw/zinc/43/14/77/600431477.db2.gz GYFBZKCFFVGWRE-NSHDSACASA-N -1 0 306.326 -0.160 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCS(=O)(=O)[C@H](C)C1)C(=O)[O-] ZINC000736414551 600433566 /nfs/dbraw/zinc/43/35/66/600433566.db2.gz ZAAQNRUWPVMHMQ-MNOVXSKESA-N -1 0 320.411 -0.279 20 0 DBADRM CC(C)(CNC(=O)CN1CCC[C@H]1C(=O)[O-])N1CCOCC1 ZINC000736320196 600437559 /nfs/dbraw/zinc/43/75/59/600437559.db2.gz LBXBSZRGDGYUKM-LBPRGKRZSA-N -1 0 313.398 -0.238 20 0 DBADRM CN([C@H]1CCN(C)C1=O)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000737515596 600450240 /nfs/dbraw/zinc/45/02/40/600450240.db2.gz YQWSQROIOXHGIU-JTQLQIEISA-N -1 0 319.383 -0.810 20 0 DBADRM Cc1ccn2ncc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])c2n1 ZINC000738792515 600452858 /nfs/dbraw/zinc/45/28/58/600452858.db2.gz LINAXKQRAVFRCS-MRVPVSSYSA-N -1 0 306.278 -0.216 20 0 DBADRM NC(=O)c1ccc(N2CCN(CC(=O)NCC(=O)[O-])CC2)cc1 ZINC000739177393 600462798 /nfs/dbraw/zinc/46/27/98/600462798.db2.gz MZUPXEWUMBHMSH-UHFFFAOYSA-N -1 0 320.349 -0.892 20 0 DBADRM COC[C@@H](O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000737753050 600471985 /nfs/dbraw/zinc/47/19/85/600471985.db2.gz KGYYJDDVJFLLPZ-VIFPVBQESA-N -1 0 310.306 -0.245 20 0 DBADRM Nn1c(SCC(=O)NCC(=O)[O-])nnc1-c1ccccn1 ZINC000739209494 600474239 /nfs/dbraw/zinc/47/42/39/600474239.db2.gz LYYDJDAGNYIAMP-UHFFFAOYSA-N -1 0 308.323 -0.653 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)CN2CCS(=O)(=O)CC2)o1 ZINC000739295952 600476216 /nfs/dbraw/zinc/47/62/16/600476216.db2.gz XAQSFBWMHKQOHS-UHFFFAOYSA-N -1 0 316.335 -0.676 20 0 DBADRM CCCNC(=O)CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000737025584 600490784 /nfs/dbraw/zinc/49/07/84/600490784.db2.gz ZMPIUENELCBCHC-JTQLQIEISA-N -1 0 313.354 -0.515 20 0 DBADRM CS(=O)(=O)CCC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000738148797 600491326 /nfs/dbraw/zinc/49/13/26/600491326.db2.gz ABWMLYHXXYUCEY-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCC(=O)NCc1ccco1 ZINC000738582026 600491526 /nfs/dbraw/zinc/49/15/26/600491526.db2.gz BWOPXEIQKWRBFA-UHFFFAOYSA-N -1 0 304.324 -0.320 20 0 DBADRM O=C([O-])CCCS(=O)(=O)NCCN1C(=O)CSC1=O ZINC000738582080 600494133 /nfs/dbraw/zinc/49/41/33/600494133.db2.gz GMTIRBGZPDVCOA-UHFFFAOYSA-N -1 0 310.353 -0.534 20 0 DBADRM COc1ncccc1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000738145160 600494377 /nfs/dbraw/zinc/49/43/77/600494377.db2.gz HDDXVDLUJCPMTJ-UHFFFAOYSA-N -1 0 323.349 -0.051 20 0 DBADRM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)CCCC(=O)[O-])CC2 ZINC000738367425 600498468 /nfs/dbraw/zinc/49/84/68/600498468.db2.gz KVRMYTKKGLBPPW-VIFPVBQESA-N -1 0 302.356 -0.314 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000738584449 600499423 /nfs/dbraw/zinc/49/94/23/600499423.db2.gz GRGHJDZFLBCGKI-LLVKDONJSA-N -1 0 317.367 -0.222 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[C@@H]1Cn1cncn1 ZINC000738585357 600500062 /nfs/dbraw/zinc/50/00/62/600500062.db2.gz SMFJYGKAIQUATM-SNVBAGLBSA-N -1 0 302.356 -0.063 20 0 DBADRM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)CCCC(=O)[O-])CC2 ZINC000737283708 600500590 /nfs/dbraw/zinc/50/05/90/600500590.db2.gz KTGOOSYPYFWIRA-VIFPVBQESA-N -1 0 316.383 -0.061 20 0 DBADRM C[C@@H](CNC(=O)N1CCO[C@H](C(=O)[O-])C1)CN1CCOCC1 ZINC000736594784 600501916 /nfs/dbraw/zinc/50/19/16/600501916.db2.gz GBVDLMXYQSMIEC-RYUDHWBXSA-N -1 0 315.370 -0.550 20 0 DBADRM C[C@H](CNC(=O)N1CCO[C@H](C(=O)[O-])C1)CN1CCOCC1 ZINC000736594782 600502316 /nfs/dbraw/zinc/50/23/16/600502316.db2.gz GBVDLMXYQSMIEC-NEPJUHHUSA-N -1 0 315.370 -0.550 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN(C)CCN1CCOCC1)C(=O)[O-] ZINC000736879060 600508921 /nfs/dbraw/zinc/50/89/21/600508921.db2.gz OXKPTBNKJVKNFF-JSGCOSHPSA-N -1 0 315.414 -0.134 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)cccc1C(=O)[O-] ZINC000738303154 600510131 /nfs/dbraw/zinc/51/01/31/600510131.db2.gz UNCDICNGVBALRS-LLVKDONJSA-N -1 0 319.317 -0.021 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)Cn2nc3ccccn3c2=O)cn1 ZINC000391007062 600526638 /nfs/dbraw/zinc/52/66/38/600526638.db2.gz UOYHKJSIFBYUFX-UHFFFAOYSA-N -1 0 316.277 -0.584 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000736660564 600531659 /nfs/dbraw/zinc/53/16/59/600531659.db2.gz LGSZSAXQNUEQKC-LURJTMIESA-N -1 0 307.266 -0.218 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)NCCN2C(=O)CCC2=O)o1 ZINC000405366318 600533262 /nfs/dbraw/zinc/53/32/62/600533262.db2.gz VAVBNXMFPKJNOQ-UHFFFAOYSA-N -1 0 309.278 -0.074 20 0 DBADRM NC(=O)COc1ccccc1C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000739162147 600534809 /nfs/dbraw/zinc/53/48/09/600534809.db2.gz YZZWXKMVDSJLLI-UHFFFAOYSA-N -1 0 319.277 -0.452 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)CSc2nnnn2C2CC2)n[nH]1 ZINC000739902357 600534847 /nfs/dbraw/zinc/53/48/47/600534847.db2.gz VZJNCJDQKDFBRO-UHFFFAOYSA-N -1 0 324.326 -0.516 20 0 DBADRM COC(=O)CSCCC(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000737628323 600535334 /nfs/dbraw/zinc/53/53/34/600535334.db2.gz QJXRPNNSOMNIEI-UHFFFAOYSA-N -1 0 302.312 -0.333 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccnc(N2CCCC2)n1 ZINC000737574955 600546915 /nfs/dbraw/zinc/54/69/15/600546915.db2.gz OXQRDDHRZSJOHB-JTQLQIEISA-N -1 0 322.321 -0.177 20 0 DBADRM Cc1nnc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1C ZINC000738932282 600550280 /nfs/dbraw/zinc/55/02/80/600550280.db2.gz SXOPXCAWDHOSJX-MNOVXSKESA-N -1 0 307.354 -0.512 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N[C@@H](CO)C2CC2)cc1 ZINC000739823972 600551848 /nfs/dbraw/zinc/55/18/48/600551848.db2.gz PFTZBXFPWUHINV-LBPRGKRZSA-N -1 0 322.317 -0.024 20 0 DBADRM Cc1oc(COC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1C(=O)[O-] ZINC000738981122 600552300 /nfs/dbraw/zinc/55/23/00/600552300.db2.gz ILAHNRHIKPFJDJ-UHFFFAOYSA-N -1 0 324.245 -0.250 20 0 DBADRM CC(C)(CNC(=O)N1CCC(C(=O)[O-])CC1)NS(C)(=O)=O ZINC000111774550 600564457 /nfs/dbraw/zinc/56/44/57/600564457.db2.gz IDIFIUDWORTISM-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NCC(=O)NCc2ccco2)n1 ZINC000739913354 600569909 /nfs/dbraw/zinc/56/99/09/600569909.db2.gz TVWUGYSBFUQWIG-UHFFFAOYSA-N -1 0 321.293 -0.001 20 0 DBADRM Cc1occc1C(=O)NCC(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000738986959 600579324 /nfs/dbraw/zinc/57/93/24/600579324.db2.gz WLQYGUITNKPAIJ-UHFFFAOYSA-N -1 0 307.266 -0.298 20 0 DBADRM Cn1nnc2cc(C(=O)Nc3n[nH]c(CC(=O)[O-])n3)ccc21 ZINC000739062446 600579341 /nfs/dbraw/zinc/57/93/41/600579341.db2.gz PZMUFXQRHCOEFY-UHFFFAOYSA-N -1 0 301.266 -0.034 20 0 DBADRM O=C([O-])Cc1nc(NC(=O)CNC(=O)c2ccsc2)n[nH]1 ZINC000739900567 600579430 /nfs/dbraw/zinc/57/94/30/600579430.db2.gz MAEJTDGQJIWNCE-UHFFFAOYSA-N -1 0 309.307 -0.138 20 0 DBADRM Cc1cc(NC(=O)CCn2cc[nH]c(=O)c2=O)c(C(=O)[O-])[nH]1 ZINC000738427180 600589823 /nfs/dbraw/zinc/58/98/23/600589823.db2.gz FNGSILHDPUFJNV-UHFFFAOYSA-N -1 0 306.278 -0.100 20 0 DBADRM Cn1cccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c1=O ZINC000739039552 600590909 /nfs/dbraw/zinc/59/09/09/600590909.db2.gz NHUYZCOUUOSRJY-UHFFFAOYSA-N -1 0 323.349 -0.756 20 0 DBADRM C[C@@H](CC(=O)[O-])SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000736552159 600591446 /nfs/dbraw/zinc/59/14/46/600591446.db2.gz JFLYIHCRJSMNSV-LURJTMIESA-N -1 0 315.351 -0.555 20 0 DBADRM CCN1CCN(CC(=O)N(CCC(=O)[O-])C(C)C)C(=O)C1=O ZINC000737114294 600595753 /nfs/dbraw/zinc/59/57/53/600595753.db2.gz APZBCMGRIAGIFQ-UHFFFAOYSA-N -1 0 313.354 -0.611 20 0 DBADRM CCS(=O)(=O)CC(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC000737221988 600630424 /nfs/dbraw/zinc/63/04/24/600630424.db2.gz HUQFZMCFOOHCGC-UHFFFAOYSA-N -1 0 307.353 -0.072 20 0 DBADRM O=Cc1cccc(OCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000740318008 600630654 /nfs/dbraw/zinc/63/06/54/600630654.db2.gz GLOCKZVBBOCYNH-LBPRGKRZSA-N -1 0 320.301 -0.320 20 0 DBADRM O=Cc1cccc(OCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000740317333 600630670 /nfs/dbraw/zinc/63/06/70/600630670.db2.gz GLOCKZVBBOCYNH-GFCCVEGCSA-N -1 0 320.301 -0.320 20 0 DBADRM C[C@@H](NC(=O)Nc1nnc(CCCC(=O)[O-])s1)C(N)=O ZINC000736649902 600632247 /nfs/dbraw/zinc/63/22/47/600632247.db2.gz KHTPJYPUIZKHFP-RXMQYKEDSA-N -1 0 301.328 -0.059 20 0 DBADRM Cc1[nH]c(C(=O)NCCN2C(=O)CNC2=O)c(C)c1C(=O)[O-] ZINC000738155517 600633922 /nfs/dbraw/zinc/63/39/22/600633922.db2.gz NMTUTCHAECKSMP-UHFFFAOYSA-N -1 0 308.294 -0.389 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(CC(=O)NCCC(=O)[O-])C1CC1 ZINC000736607610 600642464 /nfs/dbraw/zinc/64/24/64/600642464.db2.gz UWYIKHUOQAAZGJ-SECBINFHSA-N -1 0 306.384 -0.525 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CCC(=O)N(C)CC(=O)[O-] ZINC000736223956 600642509 /nfs/dbraw/zinc/64/25/09/600642509.db2.gz MWSKAJUDWKGLOQ-NXEZZACHSA-N -1 0 308.400 -0.327 20 0 DBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000739198540 600648417 /nfs/dbraw/zinc/64/84/17/600648417.db2.gz ZGZLAFDTUWDAOU-DTWKUNHWSA-N -1 0 316.310 -0.190 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cccc(-n2cncn2)c1 ZINC000739813574 600649725 /nfs/dbraw/zinc/64/97/25/600649725.db2.gz LCPXSWXZBYLCSP-UHFFFAOYSA-N -1 0 304.262 -0.375 20 0 DBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)CCN1C(=O)CCC1=O ZINC000091128123 600672462 /nfs/dbraw/zinc/67/24/62/600672462.db2.gz LZLZXFRJGNZXON-SECBINFHSA-N -1 0 314.363 -0.056 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000831176340 600676115 /nfs/dbraw/zinc/67/61/15/600676115.db2.gz YQKWCTAQPYRUQL-IONNQARKSA-N -1 0 304.299 -0.501 20 0 DBADRM O=C([O-])[C@H]1CCCN([C@@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000738538636 600685158 /nfs/dbraw/zinc/68/51/58/600685158.db2.gz VUXVLJMSOKEXDG-VHSXEESVSA-N -1 0 304.306 -0.095 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1nnn(C)c1C)C(=O)[O-] ZINC000828730462 600688899 /nfs/dbraw/zinc/68/88/99/600688899.db2.gz VLXFHDGISQEWMG-GMSGAONNSA-N -1 0 312.326 -0.104 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000739634389 600695565 /nfs/dbraw/zinc/69/55/65/600695565.db2.gz NELSVUUYBWWVKE-CMPLNLGQSA-N -1 0 322.292 -0.069 20 0 DBADRM CN1CC(=O)N(CC(=O)N2CCSC[C@@H]2CC(=O)[O-])C1=O ZINC000091129295 600697610 /nfs/dbraw/zinc/69/76/10/600697610.db2.gz ADZCSSUWUOKUNV-QMMMGPOBSA-N -1 0 315.351 -0.701 20 0 DBADRM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)OCC(=O)NCC(=O)[O-] ZINC000821202431 600697814 /nfs/dbraw/zinc/69/78/14/600697814.db2.gz JFJFABYYKVDZPE-MRVPVSSYSA-N -1 0 311.338 -0.040 20 0 DBADRM COC(=O)C[C@H]1CSCCN1Cn1cc(C(=O)[O-])nn1 ZINC000737589811 600702430 /nfs/dbraw/zinc/70/24/30/600702430.db2.gz DESPAHAFJHHNQK-QMMMGPOBSA-N -1 0 300.340 -0.086 20 0 DBADRM CC(C)CN(CC(N)=O)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037838010 600704943 /nfs/dbraw/zinc/70/49/43/600704943.db2.gz XOVBNVVWGPQMHZ-UHFFFAOYSA-N -1 0 303.340 -0.155 20 0 DBADRM NC(=O)Cn1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)nn1 ZINC000833082434 600712886 /nfs/dbraw/zinc/71/28/86/600712886.db2.gz BNHVMNNERMBGEO-NSHDSACASA-N -1 0 304.262 -0.254 20 0 DBADRM NC(=O)Cn1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)nn1 ZINC000833083305 600713064 /nfs/dbraw/zinc/71/30/64/600713064.db2.gz RUPANFNAFRAGKU-NSHDSACASA-N -1 0 322.252 -0.115 20 0 DBADRM CC(C)CN(CCC(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000776678443 600715809 /nfs/dbraw/zinc/71/58/09/600715809.db2.gz NFNVNHYHXLEYLL-UHFFFAOYSA-N -1 0 315.413 -0.207 20 0 DBADRM CC(C)OC(=O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000308769051 600739802 /nfs/dbraw/zinc/73/98/02/600739802.db2.gz LZPJEYLWRVLGRL-UHFFFAOYSA-N -1 0 305.312 -0.802 20 0 DBADRM CCN1CCO[C@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000165895971 600751246 /nfs/dbraw/zinc/75/12/46/600751246.db2.gz YKAUMPMNWGTZEU-SECBINFHSA-N -1 0 317.367 -0.288 20 0 DBADRM CCn1cnnc1CCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000830435214 600752663 /nfs/dbraw/zinc/75/26/63/600752663.db2.gz MIDCUKCIPGNNOX-UHFFFAOYSA-N -1 0 313.339 -0.155 20 0 DBADRM Cn1cc(S(=O)(=O)N2CCC3(C2)OCCO3)cc1C(=O)[O-] ZINC000396536504 600780717 /nfs/dbraw/zinc/78/07/17/600780717.db2.gz LVLZVPXCYCWGPB-UHFFFAOYSA-N -1 0 316.335 -0.139 20 0 DBADRM Cn1cc(S(=O)(=O)NC2(C(N)=O)CCCC2)cc1C(=O)[O-] ZINC000761296059 600784147 /nfs/dbraw/zinc/78/41/47/600784147.db2.gz AOMJQNMQNVFDCV-UHFFFAOYSA-N -1 0 315.351 -0.200 20 0 DBADRM CC(C)(CC(=O)[O-])NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000736310825 600788106 /nfs/dbraw/zinc/78/81/06/600788106.db2.gz WCRYABIVJGIFRO-UHFFFAOYSA-N -1 0 307.372 -0.729 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)CCSCC(=O)[O-])CCO1 ZINC000737134500 600790920 /nfs/dbraw/zinc/79/09/20/600790920.db2.gz DCZLEVHYQRZEAJ-SECBINFHSA-N -1 0 305.352 -0.015 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCc2nnnn2C2CC2)c[nH]1 ZINC000761311279 600792622 /nfs/dbraw/zinc/79/26/22/600792622.db2.gz DBRTWQDOLCMSLG-UHFFFAOYSA-N -1 0 312.311 -0.487 20 0 DBADRM O=C([O-])CCN1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000819463318 600841246 /nfs/dbraw/zinc/84/12/46/600841246.db2.gz JDKWCVDATUPLKI-UHFFFAOYSA-N -1 0 303.340 -0.403 20 0 DBADRM CCc1nsc(N2CCN(CC(=O)NCC(=O)[O-])CC2)n1 ZINC000820506356 600850449 /nfs/dbraw/zinc/85/04/49/600850449.db2.gz FDOVJZLGYUEKBE-UHFFFAOYSA-N -1 0 313.383 -0.577 20 0 DBADRM O=C([O-])CN(CC(=O)NC[C@H]1CCCO1)C1CCOCC1 ZINC000833247476 600854210 /nfs/dbraw/zinc/85/42/10/600854210.db2.gz KWDYMVNYJXBNHT-GFCCVEGCSA-N -1 0 300.355 -0.153 20 0 DBADRM NC(=O)CN1CCC(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000320770605 600875751 /nfs/dbraw/zinc/87/57/51/600875751.db2.gz YHZZVENOBHJLGU-WDEREUQCSA-N -1 0 311.382 -0.057 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CCSc1n[nH]c(C)n1 ZINC000831065589 600877049 /nfs/dbraw/zinc/87/70/49/600877049.db2.gz DGULOESOEZZXBU-ZETCQYMHSA-N -1 0 316.339 -0.272 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CSc1n[nH]c(C)n1 ZINC000831065103 600877290 /nfs/dbraw/zinc/87/72/90/600877290.db2.gz AHAOAMIWVLENSM-LURJTMIESA-N -1 0 302.312 -0.662 20 0 DBADRM COC(=O)C1C(=CC(=O)[O-])NC(=S)N[C@H]1c1cn(C)nn1 ZINC000737579026 600885498 /nfs/dbraw/zinc/88/54/98/600885498.db2.gz GFSMLRRLNAOEBI-VIFPVBQESA-N -1 0 311.323 -0.764 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)NCCn1cncn1 ZINC000833144400 600899120 /nfs/dbraw/zinc/89/91/20/600899120.db2.gz YUNAKRXZQPWSLX-UHFFFAOYSA-N -1 0 309.307 -0.207 20 0 DBADRM COCCN1C[C@H](C(=O)N[C@H](C(=O)[O-])c2ccccn2)CC1=O ZINC000831741036 600905965 /nfs/dbraw/zinc/90/59/65/600905965.db2.gz KGIOHDAGELMQNG-MFKMUULPSA-N -1 0 321.333 -0.182 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000827767944 600916013 /nfs/dbraw/zinc/91/60/13/600916013.db2.gz NBVWLMQWNLUXHD-POYBYMJQSA-N -1 0 306.365 -0.072 20 0 DBADRM CCC(CC)(NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000828824703 600929168 /nfs/dbraw/zinc/92/91/68/600929168.db2.gz PRWUPOHPNQXJSY-UHFFFAOYSA-N -1 0 321.399 -0.339 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000320699054 600930639 /nfs/dbraw/zinc/93/06/39/600930639.db2.gz NUWNRDCEZGPJMU-RYUDHWBXSA-N -1 0 311.382 -0.103 20 0 DBADRM NC(=O)Cn1cc(C(=O)Oc2ccc(CC(=O)[O-])cc2)nn1 ZINC000833083734 600939509 /nfs/dbraw/zinc/93/95/09/600939509.db2.gz KAUVLRHRVGHNNN-UHFFFAOYSA-N -1 0 304.262 -0.390 20 0 DBADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCCCN2C(=O)CNC2=O)C1 ZINC000833182711 600941029 /nfs/dbraw/zinc/94/10/29/600941029.db2.gz FDRMDWODHGJVBF-UWVGGRQHSA-N -1 0 311.338 -0.065 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@H](O)c1ccccc1 ZINC000833247915 600943027 /nfs/dbraw/zinc/94/30/27/600943027.db2.gz BKJCGIYGTFEINP-HNNXBMFYSA-N -1 0 322.361 -0.035 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000226740443 600943655 /nfs/dbraw/zinc/94/36/55/600943655.db2.gz LKIRWLIGIYYSLC-VHSXEESVSA-N -1 0 306.384 -0.067 20 0 DBADRM NC(=O)Cn1cc(C(=O)Oc2ccccc2CC(=O)[O-])nn1 ZINC000833083482 600960372 /nfs/dbraw/zinc/96/03/72/600960372.db2.gz AWTXQQIQNWGWSQ-UHFFFAOYSA-N -1 0 304.262 -0.390 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)OCCN1C(=O)c2ccncc2C1=O ZINC000833180705 600961433 /nfs/dbraw/zinc/96/14/33/600961433.db2.gz GRPOTLLBSHARCN-IUCAKERBSA-N -1 0 304.258 -0.059 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000827768177 600965903 /nfs/dbraw/zinc/96/59/03/600965903.db2.gz NXHIEMPVANRYRA-HTQZYQBOSA-N -1 0 310.397 -0.657 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)CN1C(=O)CC12CCC2 ZINC000833248714 600985906 /nfs/dbraw/zinc/98/59/06/600985906.db2.gz ZIMLRKIBGZJVMF-UHFFFAOYSA-N -1 0 311.382 -0.182 20 0 DBADRM O=C([O-])c1ccc(-c2nnn(CCN3C(=O)CNC3=O)n2)cc1 ZINC000740098126 600988743 /nfs/dbraw/zinc/98/87/43/600988743.db2.gz KMRYRCDRWYVEDL-UHFFFAOYSA-N -1 0 316.277 -0.410 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000830743037 600992724 /nfs/dbraw/zinc/99/27/24/600992724.db2.gz XUITYPWVPAGGLB-NSHDSACASA-N -1 0 315.351 -0.546 20 0 DBADRM CN(CC(N)=O)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000037268746 600992749 /nfs/dbraw/zinc/99/27/49/600992749.db2.gz FTPHWDPTULSDFP-UHFFFAOYSA-N -1 0 308.262 -0.231 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCCC[C@H]1C1OCCO1 ZINC000830735076 600994841 /nfs/dbraw/zinc/99/48/41/600994841.db2.gz KTAQDZUCOSOXPL-JTQLQIEISA-N -1 0 322.383 -0.135 20 0 DBADRM Cc1cc(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])no1 ZINC000738378512 601019415 /nfs/dbraw/zinc/01/94/15/601019415.db2.gz IBJNVPHSVQQWOD-UHFFFAOYSA-N -1 0 311.338 -0.229 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCNC(=O)[C@@H]1c1cccs1 ZINC000833237301 601035391 /nfs/dbraw/zinc/03/53/91/601035391.db2.gz PDJOZOZTGJPVCU-LBPRGKRZSA-N -1 0 311.363 -0.188 20 0 DBADRM C/C(=C/CN1CCN(C(=O)CN2CCOCC2)CC1)C(=O)[O-] ZINC000825742262 601048337 /nfs/dbraw/zinc/04/83/37/601048337.db2.gz XMNYAJKBMIHWBG-SILLCRNTSA-N -1 0 311.382 -0.506 20 0 DBADRM C/C(=C\CN1CCN(C(=O)CN2CCOCC2)CC1)C(=O)[O-] ZINC000825742263 601048539 /nfs/dbraw/zinc/04/85/39/601048539.db2.gz XMNYAJKBMIHWBG-XNJYKOPJSA-N -1 0 311.382 -0.506 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@H](CC(=O)OC)C(=O)[O-])c1 ZINC000737550441 601052320 /nfs/dbraw/zinc/05/23/20/601052320.db2.gz JILQSODFIOGFPF-SNVBAGLBSA-N -1 0 308.290 -0.208 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)c1 ZINC000737550418 601052324 /nfs/dbraw/zinc/05/23/24/601052324.db2.gz IBUCSUNXPZVMLW-JTQLQIEISA-N -1 0 308.290 -0.208 20 0 DBADRM CNC(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000737550717 601054995 /nfs/dbraw/zinc/05/49/95/601054995.db2.gz NMWQWSSBFGNDSH-LLVKDONJSA-N -1 0 319.317 -0.539 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 ZINC000833276881 601056186 /nfs/dbraw/zinc/05/61/86/601056186.db2.gz XZZBRSJMVHJYBJ-SSDOTTSWSA-N -1 0 302.312 -0.724 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NC[C@H](O)C2CCOCC2)n1 ZINC000833275329 601059459 /nfs/dbraw/zinc/05/94/59/601059459.db2.gz DUQGFFDLGMALDP-JTQLQIEISA-N -1 0 312.326 -0.123 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NC[C@@H](O)C2CCOCC2)n1 ZINC000833275331 601059508 /nfs/dbraw/zinc/05/95/08/601059508.db2.gz DUQGFFDLGMALDP-SNVBAGLBSA-N -1 0 312.326 -0.123 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NCCSCCC(=O)[O-] ZINC000736341253 601062227 /nfs/dbraw/zinc/06/22/27/601062227.db2.gz QZUFBQCQMXRMBR-UHFFFAOYSA-N -1 0 312.413 -0.362 20 0 DBADRM O=C([O-])CCCc1nnc(NC(=O)NC(CO)CO)s1 ZINC000833230462 601072002 /nfs/dbraw/zinc/07/20/02/601072002.db2.gz NKSRRZQQWZOCCV-UHFFFAOYSA-N -1 0 304.328 -0.580 20 0 DBADRM C[C@H](C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1)S(C)(=O)=O ZINC000827354726 601094756 /nfs/dbraw/zinc/09/47/56/601094756.db2.gz GXYPMLFEAZLVMR-VHSXEESVSA-N -1 0 306.384 -0.573 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCO[C@@H](CNc2cccnn2)C1 ZINC000736209163 601106633 /nfs/dbraw/zinc/10/66/33/601106633.db2.gz QBUYDNSFSBHUJJ-QWRGUYRKSA-N -1 0 323.353 -0.821 20 0 DBADRM NC(=O)CC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833079178 601111657 /nfs/dbraw/zinc/11/16/57/601111657.db2.gz AGQYYMFUMZHAJX-ZETCQYMHSA-N -1 0 311.319 -0.457 20 0 DBADRM CCC(=O)N1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000828563397 601113347 /nfs/dbraw/zinc/11/33/47/601113347.db2.gz YZQBNNCQJWWGPY-NXEZZACHSA-N -1 0 314.338 -0.090 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000826001197 601117917 /nfs/dbraw/zinc/11/79/17/601117917.db2.gz TYJWFRPYRAJEGF-NXEZZACHSA-N -1 0 316.354 -0.382 20 0 DBADRM Nc1nonc1C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000833091208 601122451 /nfs/dbraw/zinc/12/24/51/601122451.db2.gz PVRPAKJFWBFIDG-UHFFFAOYSA-N -1 0 312.282 -0.288 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCC(NC(N)=O)CC1)C(=O)[O-] ZINC000826786521 601154146 /nfs/dbraw/zinc/15/41/46/601154146.db2.gz OLZGHQVBJXAYHQ-NSHDSACASA-N -1 0 314.386 -0.265 20 0 DBADRM O=C([O-])c1csc(S(=O)(=O)N2CCN(CCO)CC2)c1 ZINC000035115378 601154626 /nfs/dbraw/zinc/15/46/26/601154626.db2.gz GVEQCNQPNVGEAT-UHFFFAOYSA-N -1 0 320.392 -0.255 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(C2=NC[C@H](C)S2)CC1 ZINC000828500403 601155243 /nfs/dbraw/zinc/15/52/43/601155243.db2.gz QZFOPLALXLYYGM-VHSXEESVSA-N -1 0 314.411 -0.315 20 0 DBADRM O=C([O-])c1ccsc1N1CC[C@@H](N2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000833336995 601156030 /nfs/dbraw/zinc/15/60/30/601156030.db2.gz XSAADDOIUAMXGN-BBBLOLIVSA-N -1 0 312.347 -0.411 20 0 DBADRM CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000829790468 601157202 /nfs/dbraw/zinc/15/72/02/601157202.db2.gz VQXBGHRBMFPQKR-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM CC(C)n1nccc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000817998494 601163862 /nfs/dbraw/zinc/16/38/62/601163862.db2.gz HMZXJFRBCVKEPV-VIFPVBQESA-N -1 0 310.310 -0.286 20 0 DBADRM CC(C)c1nnc(CCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])o1 ZINC000827168566 601179327 /nfs/dbraw/zinc/17/93/27/601179327.db2.gz MQFZGFOQKLMEJW-SECBINFHSA-N -1 0 324.337 -0.073 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCC(=O)N2CCNC(=O)C2)C1 ZINC000833359118 601180041 /nfs/dbraw/zinc/18/00/41/601180041.db2.gz ULBKRMLMPCMTLD-ZJUUUORDSA-N -1 0 312.322 -0.621 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCN(C3CC3)C(=O)C2)CC1 ZINC000833191211 601181397 /nfs/dbraw/zinc/18/13/97/601181397.db2.gz AKJCZOAZOOIERW-UHFFFAOYSA-N -1 0 309.366 -0.384 20 0 DBADRM Cn1cc(C(=O)NC2(CC(=O)[O-])CCCCC2)c(=O)n(C)c1=O ZINC000833041867 601186104 /nfs/dbraw/zinc/18/61/04/601186104.db2.gz TZVSDUIAWDTTPY-UHFFFAOYSA-N -1 0 323.349 -0.009 20 0 DBADRM CC(=O)N1CC[C@](C)(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000825828254 601190711 /nfs/dbraw/zinc/19/07/11/601190711.db2.gz DTRDEEPTYFZXBO-SDBXPKJASA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)[C@@H]1CCC[C@H](C(=O)OCC(=O)NCC(=O)[O-])C1 ZINC000820660899 601190872 /nfs/dbraw/zinc/19/08/72/601190872.db2.gz NWASYOKFIWOWOY-BDAKNGLRSA-N -1 0 301.295 -0.290 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCCCN2CCCCCC2=O)nn1 ZINC000833121133 601195312 /nfs/dbraw/zinc/19/53/12/601195312.db2.gz XDQBWPDKVTYRQL-UHFFFAOYSA-N -1 0 323.353 -0.115 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCN(c3nccs3)CC2)nn1 ZINC000316709823 601195337 /nfs/dbraw/zinc/19/53/37/601195337.db2.gz CDPKTINPYBOQFV-UHFFFAOYSA-N -1 0 322.350 -0.218 20 0 DBADRM CC[NH+]1CCN(CCCNC(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000829776292 601196584 /nfs/dbraw/zinc/19/65/84/601196584.db2.gz LGHLCMPIKPSAPT-UHFFFAOYSA-N -1 0 324.385 -0.880 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(Sc2ccncc2)n(C)c1=O ZINC000822604499 607494588 /nfs/dbraw/zinc/49/45/88/607494588.db2.gz GJANVLMIEYWBCO-UHFFFAOYSA-N -1 0 317.334 -0.190 20 0 DBADRM O=C([O-])c1cn(CC(=O)Nc2cnn(C[C@H]3CCCO3)c2)nn1 ZINC000833121175 601197565 /nfs/dbraw/zinc/19/75/65/601197565.db2.gz BGFHSJNJYNFYHW-SNVBAGLBSA-N -1 0 320.309 -0.010 20 0 DBADRM C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)NCc1ccco1 ZINC000827637929 601198497 /nfs/dbraw/zinc/19/84/97/601198497.db2.gz YDHROFMYPMFPSY-MRVPVSSYSA-N -1 0 321.293 -0.610 20 0 DBADRM CCCC(=O)N[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000829177540 601199026 /nfs/dbraw/zinc/19/90/26/601199026.db2.gz YCXVGFDWFFGVAN-SNVBAGLBSA-N -1 0 323.353 -0.116 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000747596712 601212087 /nfs/dbraw/zinc/21/20/87/601212087.db2.gz RAHWFAWMMZGAFQ-WAYWQWQTSA-N -1 0 316.310 -0.083 20 0 DBADRM CCn1cnc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)OC)c1 ZINC000830429827 601212957 /nfs/dbraw/zinc/21/29/57/601212957.db2.gz SUBVASVCQWPXPQ-SSDOTTSWSA-N -1 0 305.312 -0.802 20 0 DBADRM C[C@]1(C2CCN(c3ccc(C(=O)[O-])nn3)CC2)NC(=O)NC1=O ZINC000828087557 601214050 /nfs/dbraw/zinc/21/40/50/601214050.db2.gz BLBZSWFJQWPVCY-CQSZACIVSA-N -1 0 319.321 -0.011 20 0 DBADRM C/C(=C/CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)C(=O)[O-] ZINC000825742257 601219575 /nfs/dbraw/zinc/21/95/75/601219575.db2.gz XLZOBTUOJKGRJY-WCIBSUBMSA-N -1 0 323.349 -0.690 20 0 DBADRM O=C([O-])/C=C1/SCC(=O)N1CCCSC[C@H](O)CO ZINC000833195613 601223591 /nfs/dbraw/zinc/22/35/91/601223591.db2.gz GYRDKNWKRPIKGT-OPWUTIMJSA-N -1 0 307.393 -0.036 20 0 DBADRM COC(=O)c1cc(NC(=O)N2C[C@@H](O)[C@@H](O)C2)cc(C(=O)[O-])c1 ZINC000831289473 601234658 /nfs/dbraw/zinc/23/46/58/601234658.db2.gz HGGPJCGBBHWZMP-PHIMTYICSA-N -1 0 324.289 -0.259 20 0 DBADRM NC(=O)CN1C[C@H](OC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1=O ZINC000833080851 601240140 /nfs/dbraw/zinc/24/01/40/601240140.db2.gz FCFJCOBVCXPQSJ-LPEHRKFASA-N -1 0 312.322 -0.493 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000821547454 601244505 /nfs/dbraw/zinc/24/45/05/601244505.db2.gz UUTUYHORATZBQW-JTQLQIEISA-N -1 0 303.274 -0.239 20 0 DBADRM Cc1[nH]c(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c(C)c1C(=O)[O-] ZINC000832843447 601244786 /nfs/dbraw/zinc/24/47/86/601244786.db2.gz MFEDRRCYEGFRNK-MRVPVSSYSA-N -1 0 320.305 -0.294 20 0 DBADRM CN1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1=O ZINC000084199461 601249241 /nfs/dbraw/zinc/24/92/41/601249241.db2.gz JXOMGKHSEYWHDJ-UHFFFAOYSA-N -1 0 316.310 -0.013 20 0 DBADRM COc1ccc(CNS(=O)(=O)N(C)CCC(=O)[O-])cn1 ZINC000088772399 601253684 /nfs/dbraw/zinc/25/36/84/601253684.db2.gz XFJBVCRJSXPVRI-UHFFFAOYSA-N -1 0 303.340 -0.169 20 0 DBADRM CC(=O)N(C)C1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000825819787 601256880 /nfs/dbraw/zinc/25/68/80/601256880.db2.gz ZGFVBPDDVFRFKN-UHFFFAOYSA-N -1 0 321.399 -0.420 20 0 DBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000827386818 601259399 /nfs/dbraw/zinc/25/93/99/601259399.db2.gz YDNKWGPGUNUNOW-SNVBAGLBSA-N -1 0 317.367 -0.015 20 0 DBADRM Cc1nnc2n1CCN(S(=O)(=O)N(C)CCC(=O)[O-])C2 ZINC000833019899 601261099 /nfs/dbraw/zinc/26/10/99/601261099.db2.gz VKNQATBIJRLZGE-UHFFFAOYSA-N -1 0 303.344 -0.947 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)CCN1CCCC1=O ZINC000830727079 601261584 /nfs/dbraw/zinc/26/15/84/601261584.db2.gz JNQACLYNPPRKQL-UHFFFAOYSA-N -1 0 307.372 -0.808 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC[S@](=O)C(C)(C)C ZINC000829359042 601262095 /nfs/dbraw/zinc/26/20/95/601262095.db2.gz UQEFLEZJUTUPCY-SFHVURJKSA-N -1 0 314.429 -0.226 20 0 DBADRM COCCN1CCN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@@H]1C ZINC000831746630 601262422 /nfs/dbraw/zinc/26/24/22/601262422.db2.gz YLXNPJCLPABHSI-NSHDSACASA-N -1 0 323.415 -0.710 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000830742573 601262798 /nfs/dbraw/zinc/26/27/98/601262798.db2.gz GFXHLOHCCZKUDS-DTWKUNHWSA-N -1 0 307.372 -0.729 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)N(C)C1CCOCC1 ZINC000829963558 601267463 /nfs/dbraw/zinc/26/74/63/601267463.db2.gz NCKIUSYQNRVDAH-GFCCVEGCSA-N -1 0 324.399 -0.189 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCC(=O)N2CCOCC2)ccn1 ZINC000317584047 601273500 /nfs/dbraw/zinc/27/35/00/601273500.db2.gz QKRRJWGGXRTTHR-UHFFFAOYSA-N -1 0 307.306 -0.242 20 0 DBADRM CC(C)[C@H](CNS(=O)(=O)C[C@@H](C)C(=O)[O-])N1CCOCC1 ZINC000827557302 601273948 /nfs/dbraw/zinc/27/39/48/601273948.db2.gz CRRBMJUITCKYEB-NEPJUHHUSA-N -1 0 322.427 -0.017 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)nn1 ZINC000833121054 601279708 /nfs/dbraw/zinc/27/97/08/601279708.db2.gz BXCSEPWDLISMAA-SSDOTTSWSA-N -1 0 321.259 -0.271 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCO[C@@H](Cn3cccn3)C2)nn1 ZINC000833339252 601285016 /nfs/dbraw/zinc/28/50/16/601285016.db2.gz BXEJUVHZXXYYPO-SNVBAGLBSA-N -1 0 320.309 -0.900 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H]2Cn2cncn2)nn1 ZINC000833339324 601285678 /nfs/dbraw/zinc/28/56/78/601285678.db2.gz DBSZDZVZCSHKPU-SECBINFHSA-N -1 0 305.298 -0.741 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000830125722 601285759 /nfs/dbraw/zinc/28/57/59/601285759.db2.gz HFYYSAYBCJEJMY-QMMMGPOBSA-N -1 0 318.355 -0.742 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000826071955 601285972 /nfs/dbraw/zinc/28/59/72/601285972.db2.gz QDNJRZKPDIVGOG-HTQZYQBOSA-N -1 0 318.355 -0.744 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCc2cc3c([nH]c2=O)CCC3)nn1 ZINC000833120538 601286187 /nfs/dbraw/zinc/28/61/87/601286187.db2.gz BQTXMUGDISQDOV-UHFFFAOYSA-N -1 0 317.305 -0.118 20 0 DBADRM CN(C)C(=O)C1(CNC(=O)Cn2cc(C(=O)[O-])nn2)CCCC1 ZINC000830543180 601286383 /nfs/dbraw/zinc/28/63/83/601286383.db2.gz WTDXMEDIJXXCAC-UHFFFAOYSA-N -1 0 323.353 -0.259 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000828143657 601287993 /nfs/dbraw/zinc/28/79/93/601287993.db2.gz OOHJJEZTZOHZND-HTQZYQBOSA-N -1 0 316.339 -0.990 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCC2(O)Cc3ccccc3C2)nn1 ZINC000833121403 601288703 /nfs/dbraw/zinc/28/87/03/601288703.db2.gz GPCDERUDGMHCTQ-UHFFFAOYSA-N -1 0 316.317 -0.378 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCO[C@@H](C(F)(F)F)C2)nn1 ZINC000833340464 601289056 /nfs/dbraw/zinc/28/90/56/601289056.db2.gz UNJTWXZPNMTUDK-SSDOTTSWSA-N -1 0 308.216 -0.234 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CC[C@](O)(C(F)(F)F)C2)nn1 ZINC000313877921 601289128 /nfs/dbraw/zinc/28/91/28/601289128.db2.gz SDINHEAPYUAAJV-SECBINFHSA-N -1 0 308.216 -0.498 20 0 DBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000828488026 601289513 /nfs/dbraw/zinc/28/95/13/601289513.db2.gz UCBZPAFYXNYHEE-RGOKHQFPSA-N -1 0 304.368 -0.507 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@H]1N1CCOCC1 ZINC000828348257 601290899 /nfs/dbraw/zinc/29/08/99/601290899.db2.gz ILNRFBPVCPHGEG-ZYHUDNBSSA-N -1 0 323.353 -0.845 20 0 DBADRM COC[C@@]1(C)CC(=O)N(CN(CC(=O)[O-])CC(=O)OC)C1 ZINC000831660878 601299870 /nfs/dbraw/zinc/29/98/70/601299870.db2.gz SBFNTLOBCWQUBI-ZDUSSCGKSA-N -1 0 302.327 -0.612 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)Cn1cc(C(=O)OC)nn1 ZINC000831553847 601300227 /nfs/dbraw/zinc/30/02/27/601300227.db2.gz CUCNJWXLVNZLQZ-GFCCVEGCSA-N -1 0 314.298 -0.939 20 0 DBADRM CNS(=O)(=O)CC(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000831025257 601308136 /nfs/dbraw/zinc/30/81/36/601308136.db2.gz OVBJLUKSXAAVAX-UHFFFAOYSA-N -1 0 316.335 -0.054 20 0 DBADRM COCCS(=O)(=O)CC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000831788034 601315356 /nfs/dbraw/zinc/31/53/56/601315356.db2.gz ALXGVVNVMOOHAW-UHFFFAOYSA-N -1 0 304.324 -0.277 20 0 DBADRM CN(CC(=O)NC1(CC(=O)[O-])CCOCC1)S(C)(=O)=O ZINC000830674878 601328486 /nfs/dbraw/zinc/32/84/86/601328486.db2.gz UOODAYKKLKVQEY-UHFFFAOYSA-N -1 0 308.356 -0.982 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000769516055 601340482 /nfs/dbraw/zinc/34/04/82/601340482.db2.gz OTORCOUEBSJYDX-JTQLQIEISA-N -1 0 300.336 -0.132 20 0 DBADRM CNS(=O)(=O)CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000831024145 601340853 /nfs/dbraw/zinc/34/08/53/601340853.db2.gz CPCSTDYTPKLIJO-UHFFFAOYSA-N -1 0 312.307 -0.251 20 0 DBADRM C[C@@H](OC(=O)c1cnc2c(cnn2C)c1)C(=O)NCC(=O)[O-] ZINC000827867989 601341164 /nfs/dbraw/zinc/34/11/64/601341164.db2.gz SSMGLNFMNVNMIX-SSDOTTSWSA-N -1 0 306.278 -0.286 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)NCC2(CO)CC2)cc1 ZINC000833254063 601342453 /nfs/dbraw/zinc/34/24/53/601342453.db2.gz GPELFNHMNJXTJR-UHFFFAOYSA-N -1 0 322.317 -0.023 20 0 DBADRM C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000827374870 601342577 /nfs/dbraw/zinc/34/25/77/601342577.db2.gz NLBZTZOLUIJRAP-SECBINFHSA-N -1 0 324.337 -0.893 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N[C@@H]2CCCNC2=O)cc1 ZINC000833153950 601349719 /nfs/dbraw/zinc/34/97/19/601349719.db2.gz HZDFQPYTOUHWER-SNVBAGLBSA-N -1 0 305.290 -0.282 20 0 DBADRM COC[C@H](CCO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000831650233 601365295 /nfs/dbraw/zinc/36/52/95/601365295.db2.gz IDHIIAIOSPSBJY-NSHDSACASA-N -1 0 310.306 -0.163 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000091295425 601366015 /nfs/dbraw/zinc/36/60/15/601366015.db2.gz AIBAUEDDTCHWJL-RKDXNWHRSA-N -1 0 306.340 -0.941 20 0 DBADRM CN(C)S(=O)(=O)c1cnn(CN2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000830631412 601371528 /nfs/dbraw/zinc/37/15/28/601371528.db2.gz HEHUTGHXOKBPRU-NSHDSACASA-N -1 0 320.346 -0.411 20 0 DBADRM CC(C)S(=O)(=O)CCN(CCN1CCOCC1)CC(=O)[O-] ZINC000827073358 601374464 /nfs/dbraw/zinc/37/44/64/601374464.db2.gz ZAHCPZOMYVUBEL-UHFFFAOYSA-N -1 0 322.427 -0.472 20 0 DBADRM CC(C)N1C(=O)C(=O)N(CN2CCO[C@@H](CC(=O)[O-])C2)C1=O ZINC000826956239 601374726 /nfs/dbraw/zinc/37/47/26/601374726.db2.gz IPUKGANEXCKANV-VIFPVBQESA-N -1 0 313.310 -0.681 20 0 DBADRM CNC(=O)CCOC1CCN(Cn2cc(C(=O)[O-])nn2)CC1 ZINC000830987710 601377085 /nfs/dbraw/zinc/37/70/85/601377085.db2.gz ODGRZOJSOYYQNP-UHFFFAOYSA-N -1 0 311.342 -0.449 20 0 DBADRM CO[C@@H](C)c1noc(CN(C)CC(=O)NCCC(=O)[O-])n1 ZINC000831505941 601380363 /nfs/dbraw/zinc/38/03/63/601380363.db2.gz WFIVUIZOSRXNGY-QMMMGPOBSA-N -1 0 300.315 -0.200 20 0 DBADRM CO[C@H](C)c1noc(CN(C)CCC(=O)NCC(=O)[O-])n1 ZINC000831505500 601380648 /nfs/dbraw/zinc/38/06/48/601380648.db2.gz QLVPQVJPXDZDKQ-MRVPVSSYSA-N -1 0 300.315 -0.200 20 0 DBADRM CCN1C(=O)[C@@H]2CN(c3ccc(C(=O)[O-])nn3)CCN2C1=O ZINC000829745436 601383811 /nfs/dbraw/zinc/38/38/11/601383811.db2.gz QJXKVCFTSKZMQV-VIFPVBQESA-N -1 0 305.294 -0.353 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)c1ccoc1C ZINC000831066471 601383875 /nfs/dbraw/zinc/38/38/75/601383875.db2.gz IQGKLNNILBVRQG-VIFPVBQESA-N -1 0 312.278 -0.550 20 0 DBADRM CNC(=O)N1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000831001193 601388699 /nfs/dbraw/zinc/38/86/99/601388699.db2.gz YFWUUUUFBFQUTL-UHFFFAOYSA-N -1 0 312.370 -0.733 20 0 DBADRM O=C([O-])CCCNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000819419239 601389115 /nfs/dbraw/zinc/38/91/15/601389115.db2.gz UWNVGHDCZBCDFX-LLVKDONJSA-N -1 0 313.335 -0.303 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)C[C@H](C)O1 ZINC000828473520 601389851 /nfs/dbraw/zinc/38/98/51/601389851.db2.gz XBFHCSVWVSATGP-WCABBAIRSA-N -1 0 310.347 -0.161 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)C[C@@H](C)O1 ZINC000828473514 601389914 /nfs/dbraw/zinc/38/99/14/601389914.db2.gz XBFHCSVWVSATGP-FXPVBKGRSA-N -1 0 310.347 -0.161 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000776700842 601392314 /nfs/dbraw/zinc/39/23/14/601392314.db2.gz MTYYMKGBRMLIIK-JTQLQIEISA-N -1 0 308.356 -0.873 20 0 DBADRM CC(C)(NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)C(=O)[O-] ZINC000826616468 601394827 /nfs/dbraw/zinc/39/48/27/601394827.db2.gz IDFXQUWATGYVQN-SECBINFHSA-N -1 0 313.335 -0.304 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)c1Cl ZINC000833057572 601397519 /nfs/dbraw/zinc/39/75/19/601397519.db2.gz FCJMPOFHRKNNLC-SSDOTTSWSA-N -1 0 323.758 -0.062 20 0 DBADRM NC(=O)[C@@H]1CN(Cn2nc(C(=O)[O-])c3ccccc32)CCO1 ZINC000833079163 601399208 /nfs/dbraw/zinc/39/92/08/601399208.db2.gz DOTXHPYVNSDLSP-NSHDSACASA-N -1 0 304.306 -0.122 20 0 DBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000048445734 601400630 /nfs/dbraw/zinc/40/06/30/601400630.db2.gz RGLIEPHODROXJC-ZCFIWIBFSA-N -1 0 304.299 -0.063 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)N2CCO[C@H](CO)C2)n1 ZINC000833270034 601404313 /nfs/dbraw/zinc/40/43/13/601404313.db2.gz VPQXIMLVHBLDQE-QMMMGPOBSA-N -1 0 301.324 -0.005 20 0 DBADRM C/C(=C\COC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000825765876 601422364 /nfs/dbraw/zinc/42/23/64/601422364.db2.gz ZNGZZYMVNYVGKM-FPYGCLRLSA-N -1 0 317.323 -0.505 20 0 DBADRM O=C([O-])CC1(NC(=O)CN2CCS(=O)(=O)CC2)CCC1 ZINC000833203221 601437232 /nfs/dbraw/zinc/43/72/32/601437232.db2.gz ZJRVOQVCFRITQA-UHFFFAOYSA-N -1 0 304.368 -0.770 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)CN1CCO[C@H](CC(=O)[O-])C1 ZINC000830869749 601453355 /nfs/dbraw/zinc/45/33/55/601453355.db2.gz HENOCQKKCQLFKG-GFCCVEGCSA-N -1 0 310.354 -0.446 20 0 DBADRM CN(C(=O)CNC(=O)Cn1cc(C(=O)[O-])nn1)C1CCCCC1 ZINC000830485675 601454909 /nfs/dbraw/zinc/45/49/09/601454909.db2.gz MKUMKDUMHIFTRF-UHFFFAOYSA-N -1 0 323.353 -0.116 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CCO[C@H](CC(=O)[O-])C1 ZINC000831643256 601455045 /nfs/dbraw/zinc/45/50/45/601455045.db2.gz DNAWFNXETZSXFF-NXEZZACHSA-N -1 0 317.342 -0.977 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)N1CCO[C@@H](CO)C1 ZINC000833161392 601456261 /nfs/dbraw/zinc/45/62/61/601456261.db2.gz AUOZUVHYDUILFR-SSDOTTSWSA-N -1 0 314.319 -0.396 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](CO)C2)cc1 ZINC000833265686 601456421 /nfs/dbraw/zinc/45/64/21/601456421.db2.gz DLWAYMANWJTFJC-GFCCVEGCSA-N -1 0 322.317 -0.528 20 0 DBADRM O=C([O-])C[C@H]1CN([C@H]2CCN(C3CCOCC3)C2=O)CCO1 ZINC000833221986 601456787 /nfs/dbraw/zinc/45/67/87/601456787.db2.gz OPSVXIKCTMFZAT-STQMWFEESA-N -1 0 312.366 -0.058 20 0 DBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000767051552 601458660 /nfs/dbraw/zinc/45/86/60/601458660.db2.gz NDVOHEDXOIDODD-XHPSBEMXSA-N -1 0 323.349 -0.143 20 0 DBADRM Cn1cc(N2CC[C@H](N3CCO[C@@H](CC(=O)[O-])C3)C2=O)cn1 ZINC000833045664 601460896 /nfs/dbraw/zinc/46/08/96/601460896.db2.gz FWTUCXVIOFMYBN-RYUDHWBXSA-N -1 0 308.338 -0.299 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCN2C(=O)NC[C@H]2C1)C(=O)[O-] ZINC000826785767 601461914 /nfs/dbraw/zinc/46/19/14/601461914.db2.gz DRFYARBYKXQOKT-WDEREUQCSA-N -1 0 312.370 -0.689 20 0 DBADRM CC[C@](C)(CC(=O)[O-])NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000828617408 601471601 /nfs/dbraw/zinc/47/16/01/601471601.db2.gz CYEXRFHKCBXSRJ-GFCCVEGCSA-N -1 0 321.399 -0.339 20 0 DBADRM CN1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O ZINC000704307032 601478343 /nfs/dbraw/zinc/47/83/43/601478343.db2.gz NQIKRFMQZWHNIV-ZETCQYMHSA-N -1 0 302.308 -0.123 20 0 DBADRM O=C([O-])c1ccsc1NC(=O)C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000833164508 601483380 /nfs/dbraw/zinc/48/33/80/601483380.db2.gz XIAZZIFZCCSBAT-KNVOCYPGSA-N -1 0 314.319 -0.661 20 0 DBADRM COC[C@H](CCO)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000831651120 601489493 /nfs/dbraw/zinc/48/94/93/601489493.db2.gz RBBQGNRTDBKKFL-NSHDSACASA-N -1 0 324.333 -0.234 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1 ZINC000832389619 601491103 /nfs/dbraw/zinc/49/11/03/601491103.db2.gz VEKXLWHHJPIYDN-SNVBAGLBSA-N -1 0 323.305 -0.269 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CCO[C@H](CO)C1 ZINC000819585927 601497018 /nfs/dbraw/zinc/49/70/18/601497018.db2.gz LTIHZDWLAAUFCK-NSHDSACASA-N -1 0 322.317 -0.528 20 0 DBADRM CS(=O)(=O)CCCNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000832670688 601509816 /nfs/dbraw/zinc/50/98/16/601509816.db2.gz ZCEBGIKPPXHQBX-UHFFFAOYSA-N -1 0 313.397 -0.405 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CCO1 ZINC000831118893 601513812 /nfs/dbraw/zinc/51/38/12/601513812.db2.gz FTXILUJAOOCHNR-VIFPVBQESA-N -1 0 321.351 -0.555 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000833091712 601536396 /nfs/dbraw/zinc/53/63/96/601536396.db2.gz YWXDMOFJMXCUKZ-QMMMGPOBSA-N -1 0 304.310 -0.222 20 0 DBADRM CN(CC(=O)NCCC(=O)[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000830674619 601537698 /nfs/dbraw/zinc/53/76/98/601537698.db2.gz OOCXGEGEHTYBKI-MNOVXSKESA-N -1 0 320.411 -0.135 20 0 DBADRM Cn1cnc(S(=O)(=O)NCC(=O)NCCCCC(=O)[O-])c1 ZINC000773226168 601546742 /nfs/dbraw/zinc/54/67/42/601546742.db2.gz HRQOJTAWVYYOPD-UHFFFAOYSA-N -1 0 318.355 -0.931 20 0 DBADRM CC[C@@](C)(NC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000828686235 601547082 /nfs/dbraw/zinc/54/70/82/601547082.db2.gz XFLDHZODOAFOPB-LLVKDONJSA-N -1 0 318.355 -0.932 20 0 DBADRM Cc1oc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000819051435 601558359 /nfs/dbraw/zinc/55/83/59/601558359.db2.gz YRHDUISCIIMJTE-MRVPVSSYSA-N -1 0 318.307 -0.839 20 0 DBADRM O=C(CN1CCOC[C@@H]1C(=O)[O-])NC(=O)NCc1ccco1 ZINC000388038847 601558601 /nfs/dbraw/zinc/55/86/01/601558601.db2.gz INHYOKJPFGHRKO-SNVBAGLBSA-N -1 0 311.294 -0.609 20 0 DBADRM O=C(CN1CCOC[C@@H]1C(=O)[O-])Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000833109165 601558651 /nfs/dbraw/zinc/55/86/51/601558651.db2.gz KSOVHVXEXTYBPG-LLVKDONJSA-N -1 0 320.305 -0.008 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(CN2CCOC[C@H]2C(=O)[O-])o1 ZINC000830626608 601558850 /nfs/dbraw/zinc/55/88/50/601558850.db2.gz JSEXBKCIVYJNOZ-JTQLQIEISA-N -1 0 318.351 -0.185 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCOC[C@@H]1C(=O)OC)C(=O)[O-] ZINC000828715567 601559357 /nfs/dbraw/zinc/55/93/57/601559357.db2.gz DJFIRTSNYTVNCI-HOSYDEDBSA-N -1 0 316.354 -0.524 20 0 DBADRM CN1C(=O)C(=O)N(CN(CCC(=O)[O-])Cc2ccncc2)C1=O ZINC000830902209 601559633 /nfs/dbraw/zinc/55/96/33/601559633.db2.gz PMSCIDLQANNCGW-UHFFFAOYSA-N -1 0 320.305 -0.264 20 0 DBADRM COC(=O)[C@@H]1COCCN1CCCN1CCOC[C@@H]1C(=O)[O-] ZINC000831119678 601560258 /nfs/dbraw/zinc/56/02/58/601560258.db2.gz QYXKYCMJMPDWFJ-NEPJUHHUSA-N -1 0 316.354 -0.964 20 0 DBADRM O=C([O-])c1cn(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)nn1 ZINC000833337710 601560452 /nfs/dbraw/zinc/56/04/52/601560452.db2.gz HQXYQUZJBNCOSD-GHMZBOCLSA-N -1 0 314.367 -0.025 20 0 DBADRM C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC000823659615 601562289 /nfs/dbraw/zinc/56/22/89/601562289.db2.gz JFGCCKLFDHGCKQ-JQWIXIFHSA-N -1 0 322.365 0.000 20 0 DBADRM O=C([O-])CNC(=O)CN1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000821530848 601568711 /nfs/dbraw/zinc/56/87/11/601568711.db2.gz MYJQMNDNXRSZDC-ZJUUUORDSA-N -1 0 304.368 -0.771 20 0 DBADRM C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000827967130 601569841 /nfs/dbraw/zinc/56/98/41/601569841.db2.gz ZLRMOBYIKWTADI-DTWKUNHWSA-N -1 0 310.358 -0.244 20 0 DBADRM CCNC(=O)CN(C)S(=O)(=O)c1csnc1C(=O)[O-] ZINC000829790257 601571575 /nfs/dbraw/zinc/57/15/75/601571575.db2.gz MISCLYUJXNHEMN-UHFFFAOYSA-N -1 0 307.353 -0.402 20 0 DBADRM CCCN(CC(=O)NC)S(=O)(=O)c1csnc1C(=O)[O-] ZINC000829464629 601572363 /nfs/dbraw/zinc/57/23/63/601572363.db2.gz KLTPAFHQZIDWGL-UHFFFAOYSA-N -1 0 321.380 -0.012 20 0 DBADRM CNC(=O)CN1CCN(C(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC000830991624 601583497 /nfs/dbraw/zinc/58/34/97/601583497.db2.gz GSKKNMPXEANBNR-UHFFFAOYSA-N -1 0 306.322 -0.716 20 0 DBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@H](C(=O)[O-])C1CC1 ZINC000833106259 601588518 /nfs/dbraw/zinc/58/85/18/601588518.db2.gz IVQVHFVSMCIXNM-JTQLQIEISA-N -1 0 309.322 -0.170 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)C[C@H]1C(=O)[O-] ZINC000251661480 601589621 /nfs/dbraw/zinc/58/96/21/601589621.db2.gz GWQIKQRFYWTMDO-IONNQARKSA-N -1 0 315.351 -0.535 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H](CN2CCO[C@H](C(=O)[O-])C2)C1 ZINC000093698220 601593250 /nfs/dbraw/zinc/59/32/50/601593250.db2.gz ZTKUQHFGZIMPBR-QWRGUYRKSA-N -1 0 306.384 -0.557 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000800025795 601595319 /nfs/dbraw/zinc/59/53/19/601595319.db2.gz ZTMOGAUCISKLOG-LLVKDONJSA-N -1 0 308.356 -0.825 20 0 DBADRM COC(=O)[C@@]1(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCOC1 ZINC000831093125 601595440 /nfs/dbraw/zinc/59/54/40/601595440.db2.gz DDKWLOMXCVDYBP-LLVKDONJSA-N -1 0 318.307 -0.677 20 0 DBADRM COC(=O)[C@]1(NS(=O)(=O)c2ccc(C(=O)[O-])o2)CCOC1 ZINC000831093790 601595906 /nfs/dbraw/zinc/59/59/06/601595906.db2.gz KWAZPMZVJDMOHY-NSHDSACASA-N -1 0 319.291 -0.412 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](CN2CCO[C@H](CC(=O)[O-])C2)C1 ZINC000093698283 601597379 /nfs/dbraw/zinc/59/73/79/601597379.db2.gz PSXLBDQHGBGJII-VXGBXAGGSA-N -1 0 320.411 -0.167 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)Cn1ncc2ccccc2c1=O ZINC000833193336 601605724 /nfs/dbraw/zinc/60/57/24/601605724.db2.gz VQJIUKQHMPUMOZ-GFCCVEGCSA-N -1 0 317.301 -0.292 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000827928503 601607297 /nfs/dbraw/zinc/60/72/97/601607297.db2.gz HTBAUMZIOCNZLI-JGVFFNPUSA-N -1 0 300.340 -0.392 20 0 DBADRM CCn1c(=O)c2ccccc2n(CC(=O)NCC(=O)[O-])c1=O ZINC000739561386 601612471 /nfs/dbraw/zinc/61/24/71/601612471.db2.gz JVBJGAPYQOEYDO-UHFFFAOYSA-N -1 0 305.290 -0.616 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N[C@H](C(=O)[O-])C1CC1)n1cccn1 ZINC000825972493 601630503 /nfs/dbraw/zinc/63/05/03/601630503.db2.gz UOSUZVWWLLFJGY-CABZTGNLSA-N -1 0 308.338 -0.118 20 0 DBADRM CCCCC[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)[O-] ZINC000829327278 601641497 /nfs/dbraw/zinc/64/14/97/601641497.db2.gz ZJJAOEOFMZKSIP-SNVBAGLBSA-N -1 0 311.338 -0.303 20 0 DBADRM CCCCC[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)[O-] ZINC000829327277 601641500 /nfs/dbraw/zinc/64/15/00/601641500.db2.gz ZJJAOEOFMZKSIP-JTQLQIEISA-N -1 0 311.338 -0.303 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000767216751 601654350 /nfs/dbraw/zinc/65/43/50/601654350.db2.gz POVHKRNNKMAYNW-CABZTGNLSA-N -1 0 322.358 -0.174 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000767216082 601656274 /nfs/dbraw/zinc/65/62/74/601656274.db2.gz FAHVDRURSGYFCD-AWEZNQCLSA-N -1 0 320.280 -0.183 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000390317783 601660049 /nfs/dbraw/zinc/66/00/49/601660049.db2.gz HTMOYKOXHKBQOJ-BDAKNGLRSA-N -1 0 307.372 -0.712 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCN2C(=O)CCC2=O)C[C@@H]1C(=O)[O-] ZINC000828354095 601660128 /nfs/dbraw/zinc/66/01/28/601660128.db2.gz FRJNTFIAVRVZSV-ZJUUUORDSA-N -1 0 311.338 -0.112 20 0 DBADRM C[C@@H]1CN(C(=O)NCC(C)(C)NS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000111774616 601661253 /nfs/dbraw/zinc/66/12/53/601661253.db2.gz BQTBLVMAZIOWIE-BDAKNGLRSA-N -1 0 321.399 -0.324 20 0 DBADRM C[C@H]1CN(C(=O)NCC(C)(C)NS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000111774624 601661437 /nfs/dbraw/zinc/66/14/37/601661437.db2.gz BQTBLVMAZIOWIE-DTWKUNHWSA-N -1 0 321.399 -0.324 20 0 DBADRM NC(=O)C[C@@H](NC(=O)CCSCC(=O)[O-])C1CCOCC1 ZINC000833080420 601663978 /nfs/dbraw/zinc/66/39/78/601663978.db2.gz PSVHDBNYVHVHQF-SNVBAGLBSA-N -1 0 318.395 -0.019 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cc1c[nH]c2ncccc12 ZINC000833205921 601664891 /nfs/dbraw/zinc/66/48/91/601664891.db2.gz MKFLRTXBAOWCJO-NSHDSACASA-N -1 0 316.317 -0.093 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000827928575 601667684 /nfs/dbraw/zinc/66/76/84/601667684.db2.gz JDFPRXZVQITXLN-DTWKUNHWSA-N -1 0 314.367 -0.002 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1=O ZINC000316999235 601670865 /nfs/dbraw/zinc/67/08/65/601670865.db2.gz QNQHVADQRABUSE-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)[C@]23CCC(=O)N2CCS3)CCO1 ZINC000833215614 601671180 /nfs/dbraw/zinc/67/11/80/601671180.db2.gz PUCSEZIBEQNPMR-TVQRCGJNSA-N -1 0 314.363 -0.246 20 0 DBADRM CCC1(C(=O)N(CCN2CCOCC2)CC(=O)[O-])COC1 ZINC000829033801 601679679 /nfs/dbraw/zinc/67/96/79/601679679.db2.gz XINRWSYSOYTGAF-UHFFFAOYSA-N -1 0 300.355 -0.342 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@H](NS(C)(=O)=O)C1)C(=O)[O-] ZINC000702996839 601687030 /nfs/dbraw/zinc/68/70/30/601687030.db2.gz XSJMJRRGYYBMPH-QMMMGPOBSA-N -1 0 307.372 -0.570 20 0 DBADRM COC[C@@](C)(NC(=O)CC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000262035080 601695105 /nfs/dbraw/zinc/69/51/05/601695105.db2.gz BTHAMNQTFCDBKV-LLVKDONJSA-N -1 0 307.368 -0.193 20 0 DBADRM COC[C@](C)(NC(=O)c1csc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000262149544 601698274 /nfs/dbraw/zinc/69/82/74/601698274.db2.gz LUMYFAMIONXIKM-JTQLQIEISA-N -1 0 322.364 -0.385 20 0 DBADRM COC[C@@](C)(NC(=O)CCCN1C(=O)CCC1=O)C(=O)[O-] ZINC000831602668 601698990 /nfs/dbraw/zinc/69/89/90/601698990.db2.gz NAKHIYLQIHUSQC-CYBMUJFWSA-N -1 0 300.311 -0.479 20 0 DBADRM COC[C@](C)(NC(=O)CN(C)c1ncnc2nc[nH]c21)C(=O)[O-] ZINC000831607988 601700607 /nfs/dbraw/zinc/70/06/07/601700607.db2.gz AJPIDXVWAQOYAB-ZDUSSCGKSA-N -1 0 322.325 -0.605 20 0 DBADRM C[C@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)C[C@H]1C(=O)[O-] ZINC000828402935 601702036 /nfs/dbraw/zinc/70/20/36/601702036.db2.gz SGTVSEGPTDJZQP-DTWKUNHWSA-N -1 0 309.326 -0.841 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)C[C@@H]1C(=O)[O-] ZINC000828402932 601702044 /nfs/dbraw/zinc/70/20/44/601702044.db2.gz SGTVSEGPTDJZQP-BDAKNGLRSA-N -1 0 309.326 -0.841 20 0 DBADRM C[C@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)C[C@@H]1C(=O)[O-] ZINC000828402939 601702061 /nfs/dbraw/zinc/70/20/61/601702061.db2.gz SGTVSEGPTDJZQP-IUCAKERBSA-N -1 0 309.326 -0.841 20 0 DBADRM C[C@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)C[C@H]1C(=O)[O-] ZINC000828342070 601709837 /nfs/dbraw/zinc/70/98/37/601709837.db2.gz WZOUGQKYMZNWBV-DTWKUNHWSA-N -1 0 318.337 -0.032 20 0 DBADRM C[C@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC000111251072 601711394 /nfs/dbraw/zinc/71/13/94/601711394.db2.gz DGOHVYJVVYTJAY-GXSJLCMTSA-N -1 0 318.395 -0.163 20 0 DBADRM CN(CC(=O)N1CC[C@@](F)(C(=O)[O-])C1)c1ncnc2nc[nH]c21 ZINC000830665740 601712402 /nfs/dbraw/zinc/71/24/02/601712402.db2.gz QZKCMHDXSWWCIP-ZDUSSCGKSA-N -1 0 322.300 -0.186 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)NCC(C)(C)C(=O)[O-] ZINC000825875560 601713996 /nfs/dbraw/zinc/71/39/96/601713996.db2.gz DCBBYGPZTBVULC-UHFFFAOYSA-N -1 0 301.343 -0.754 20 0 DBADRM C[C@H]1CN(C(=O)CCCN2C(=O)CN(C)C2=O)C[C@H]1C(=O)[O-] ZINC000315091761 601717688 /nfs/dbraw/zinc/71/76/88/601717688.db2.gz HNLXQPCRLURWJO-VHSXEESVSA-N -1 0 311.338 -0.160 20 0 DBADRM C[C@@H]1CN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C[C@H]1C(=O)[O-] ZINC000828326724 601719059 /nfs/dbraw/zinc/71/90/59/601719059.db2.gz UVEBGAZLCSMEQY-ANNNZRCOSA-N -1 0 321.333 -0.724 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000833192164 601720520 /nfs/dbraw/zinc/72/05/20/601720520.db2.gz PSEWRNWTURAYNH-WPRPVWTQSA-N -1 0 308.294 -0.925 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CCCCN1CCOCC1 ZINC000833192069 601721850 /nfs/dbraw/zinc/72/18/50/601721850.db2.gz IORAHUMIOJJDTF-GFCCVEGCSA-N -1 0 300.355 -0.199 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CCOC1 ZINC000262057352 601723821 /nfs/dbraw/zinc/72/38/21/601723821.db2.gz DOYYUWJVRUPWMR-XHDPSFHLSA-N -1 0 310.350 -0.005 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000832694270 601724282 /nfs/dbraw/zinc/72/42/82/601724282.db2.gz DFCILTLRIPVOCB-DOLQZWNJSA-N -1 0 304.368 -0.459 20 0 DBADRM CCCCCS(=O)(=O)CC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000262028835 601725666 /nfs/dbraw/zinc/72/56/66/601725666.db2.gz ANVVKGGGYIUZDV-LBPRGKRZSA-N -1 0 307.368 -0.049 20 0 DBADRM CC1(C)CN(C(=O)Cn2cc(C(=O)[O-])nn2)CCS1(=O)=O ZINC000828074225 601734516 /nfs/dbraw/zinc/73/45/16/601734516.db2.gz BJOYIJJAQPXDQS-UHFFFAOYSA-N -1 0 316.339 -0.988 20 0 DBADRM C[C@]12CCC(=O)N1[C@H](C(=O)N[C@]1(C(=O)[O-])CCOC1)CS2 ZINC000085847818 601735355 /nfs/dbraw/zinc/73/53/55/601735355.db2.gz JJGCMTNLEKHCHO-AQUOVQTQSA-N -1 0 314.363 -0.200 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CC(=O)NC1=O)c1ccccc1F ZINC000833359137 601736612 /nfs/dbraw/zinc/73/66/12/601736612.db2.gz VGHUGCYUJMBSLP-NSHDSACASA-N -1 0 309.253 -0.381 20 0 DBADRM Cc1oc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000261668787 601741300 /nfs/dbraw/zinc/74/13/00/601741300.db2.gz AKOUHLSXVGETCW-SSDOTTSWSA-N -1 0 302.308 -0.218 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)C1=O ZINC000830913145 601743401 /nfs/dbraw/zinc/74/34/01/601743401.db2.gz MIAIBRHRBAHWAD-GFCCVEGCSA-N -1 0 323.280 -0.038 20 0 DBADRM NC(=O)Cn1cc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)nn1 ZINC000833083340 601753929 /nfs/dbraw/zinc/75/39/29/601753929.db2.gz UTCXUJDNTHGXIO-NSHDSACASA-N -1 0 309.326 -0.473 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1=O ZINC000321106956 601755787 /nfs/dbraw/zinc/75/57/87/601755787.db2.gz YATBWRWVHRQNIR-CYBMUJFWSA-N -1 0 323.349 -0.303 20 0 DBADRM C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C(=O)[O-] ZINC000828400798 601758492 /nfs/dbraw/zinc/75/84/92/601758492.db2.gz CJBVMLJDLGLCNQ-NKWVEPMBSA-N -1 0 302.308 -0.280 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cnc3c2ncnc3N)C[C@H]1C(=O)[O-] ZINC000828350027 601761378 /nfs/dbraw/zinc/76/13/78/601761378.db2.gz XOICSKRTCQBNSE-JGVFFNPUSA-N -1 0 304.310 -0.412 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cnc3c2ncnc3N)C[C@@H]1C(=O)[O-] ZINC000828350028 601761450 /nfs/dbraw/zinc/76/14/50/601761450.db2.gz XOICSKRTCQBNSE-SFYZADRCSA-N -1 0 304.310 -0.412 20 0 DBADRM C[C@@H]1CN(C(=S)NCCN2CCOCC2)C[C@H]1C(=O)[O-] ZINC000828412777 601764941 /nfs/dbraw/zinc/76/49/41/601764941.db2.gz OKQCSTQWOCYDBT-GHMZBOCLSA-N -1 0 301.412 -0.154 20 0 DBADRM CN1CCO[C@H](CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC000091676307 601773398 /nfs/dbraw/zinc/77/33/98/601773398.db2.gz CSRAZHBAJFTNSU-GHMZBOCLSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@H]1C(=O)NC1CC1)C(=O)[O-] ZINC000827543217 601774222 /nfs/dbraw/zinc/77/42/22/601774222.db2.gz ZYJWMRXPVNYHON-SCZZXKLOSA-N -1 0 304.368 -0.220 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)NCCOC[C@H]2CCOC2)CCO1 ZINC000833217434 601775035 /nfs/dbraw/zinc/77/50/35/601775035.db2.gz IPNZRJQQFQFCAX-NWDGAFQWSA-N -1 0 316.354 -0.075 20 0 DBADRM C[C@H](CS(=O)(=O)NCCNC(=O)c1cccnc1)C(=O)[O-] ZINC000827560073 601775806 /nfs/dbraw/zinc/77/58/06/601775806.db2.gz ZMJCAMRJBSWLLI-SECBINFHSA-N -1 0 315.351 -0.549 20 0 DBADRM COCC(=O)NC1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000831541110 601776865 /nfs/dbraw/zinc/77/68/65/601776865.db2.gz NKLOHMCXOWOOGS-VIFPVBQESA-N -1 0 322.383 -0.736 20 0 DBADRM CC(C)N1C[C@@H](NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1=O ZINC000826961665 601777080 /nfs/dbraw/zinc/77/70/80/601777080.db2.gz WWVSIAWSSSGOML-QWRGUYRKSA-N -1 0 313.354 -0.119 20 0 DBADRM C[C@@H](CS(=O)(=O)NCC(=O)NCC(F)(F)F)C(=O)[O-] ZINC000827559009 601777726 /nfs/dbraw/zinc/77/77/26/601777726.db2.gz UNEMXAFKTFHEQH-YFKPBYRVSA-N -1 0 306.262 -0.695 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[C@@H](N2CCNC2=O)C1)C(=O)[O-] ZINC000827540604 601781655 /nfs/dbraw/zinc/78/16/55/601781655.db2.gz FMLULGGPTGOGLE-VHSXEESVSA-N -1 0 319.383 -0.474 20 0 DBADRM CC[C@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000818140829 601781670 /nfs/dbraw/zinc/78/16/70/601781670.db2.gz NQXYMZQTDVYWDC-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)N[C@H]2CCCn3ncnc32)CCO1 ZINC000833216848 601782091 /nfs/dbraw/zinc/78/20/91/601782091.db2.gz JLPUBCLADUWHHC-UWVGGRQHSA-N -1 0 309.326 -0.002 20 0 DBADRM C[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C(=O)NCc1ccco1 ZINC000827547862 601782642 /nfs/dbraw/zinc/78/26/42/601782642.db2.gz XNDPVQHFOGTQAG-RKDXNWHRSA-N -1 0 318.351 -0.076 20 0 DBADRM CNC(=O)C1CCC(NS(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000830979400 601782909 /nfs/dbraw/zinc/78/29/09/601782909.db2.gz VEDNOUVLGSNECW-IDKOKCKLSA-N -1 0 306.384 -0.069 20 0 DBADRM COC(=O)N1CCC[C@@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC000831203167 601785942 /nfs/dbraw/zinc/78/59/42/601785942.db2.gz GCLCXRRROVGJJD-DTWKUNHWSA-N -1 0 308.356 -0.143 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC[C@@H]1Cn1cncn1)C(=O)[O-] ZINC000827541357 601790056 /nfs/dbraw/zinc/79/00/56/601790056.db2.gz MKUDTIFXTHBWGR-VHSXEESVSA-N -1 0 302.356 -0.207 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000830125806 601790806 /nfs/dbraw/zinc/79/08/06/601790806.db2.gz IURIJWKDOVXPCU-BDAKNGLRSA-N -1 0 315.413 -0.208 20 0 DBADRM C[C@@H](CS(=O)(=O)NCc1cnc(N(C)C)n1C)C(=O)[O-] ZINC000827562768 601790948 /nfs/dbraw/zinc/79/09/48/601790948.db2.gz FHBDPCKZBXBSRP-QMMMGPOBSA-N -1 0 304.372 -0.374 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCO[C@@H](Cn2cncn2)C1)C(=O)[O-] ZINC000827546212 601792138 /nfs/dbraw/zinc/79/21/38/601792138.db2.gz IWYMTBAGLGXTJF-ZJUUUORDSA-N -1 0 318.355 -0.971 20 0 DBADRM CCOC(=O)[C@H]1CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CCO1 ZINC000829838489 601794465 /nfs/dbraw/zinc/79/44/65/601794465.db2.gz XUNWEQUBAGHWOP-RKDXNWHRSA-N -1 0 309.340 -0.699 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@@H](CN2CCOCC2)C1)C(=O)[O-] ZINC000827542944 601795159 /nfs/dbraw/zinc/79/51/59/601795159.db2.gz WXZKBOMPRIKRHT-NEPJUHHUSA-N -1 0 320.411 -0.309 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@H](n2cncn2)C1)C(=O)[O-] ZINC000827542122 601796198 /nfs/dbraw/zinc/79/61/98/601796198.db2.gz SGTJDECTXSMVPM-ZJUUUORDSA-N -1 0 302.356 -0.035 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCCC[C@H]1C(N)=O ZINC000830742674 601799263 /nfs/dbraw/zinc/79/92/63/601799263.db2.gz MZYYJNQQRFNEKR-BDAKNGLRSA-N -1 0 307.372 -0.729 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1)C(=O)[O-] ZINC000827542611 601800326 /nfs/dbraw/zinc/80/03/26/601800326.db2.gz VFNTUBONNBMQNY-QJPTWQEYSA-N -1 0 320.411 -0.311 20 0 DBADRM CC[C@@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000828989016 601801038 /nfs/dbraw/zinc/80/10/38/601801038.db2.gz MYMHELCGIZKFQK-VHSXEESVSA-N -1 0 322.383 -0.736 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000830742535 601802759 /nfs/dbraw/zinc/80/27/59/601802759.db2.gz FEUHMINOXJJZSO-WDEREUQCSA-N -1 0 322.383 -0.483 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCS(=O)(=O)C(C)(C)C1)C(=O)[O-] ZINC000827545864 601810323 /nfs/dbraw/zinc/81/03/23/601810323.db2.gz DYZWATZINKRWCA-MRVPVSSYSA-N -1 0 313.397 -0.454 20 0 DBADRM C[C@H]1CN(Cn2cc(S(=O)(=O)N(C)C)cn2)C[C@@H]1C(=O)[O-] ZINC000828463888 601819421 /nfs/dbraw/zinc/81/94/21/601819421.db2.gz SAJYOZIJERKGLO-ONGXEEELSA-N -1 0 316.383 -0.257 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=S)NCCN2CCOCC2)C1 ZINC000828020105 601852867 /nfs/dbraw/zinc/85/28/67/601852867.db2.gz JZYADUZMSFLDAY-ZDUSSCGKSA-N -1 0 301.412 -0.010 20 0 DBADRM CCCn1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000818190402 601855932 /nfs/dbraw/zinc/85/59/32/601855932.db2.gz RUSZOFIWXDWUHJ-JTQLQIEISA-N -1 0 310.310 -0.456 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)NCCSCC(=O)[O-])O1 ZINC000833082930 601885474 /nfs/dbraw/zinc/88/54/74/601885474.db2.gz TUXBFOYBUQNTPB-SFYZADRCSA-N -1 0 305.356 -0.864 20 0 DBADRM C[C@@]1(c2cccnc2)NC(=O)N(CC(=O)NCCC(=O)[O-])C1=O ZINC000828128095 601895406 /nfs/dbraw/zinc/89/54/06/601895406.db2.gz OINSICWZWCAZET-AWEZNQCLSA-N -1 0 320.305 -0.561 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC000739576354 601900664 /nfs/dbraw/zinc/90/06/64/601900664.db2.gz CAVROOUGKPTAGB-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC000739577431 601906620 /nfs/dbraw/zinc/90/66/20/601906620.db2.gz HIQMVWZBDPLAAT-IUCAKERBSA-N -1 0 312.326 -0.425 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000736366942 601906677 /nfs/dbraw/zinc/90/66/77/601906677.db2.gz YSGYUYDYFVIUKW-ZJUUUORDSA-N -1 0 321.399 -0.181 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)NCCCCCC(=O)[O-])O1 ZINC000833081543 601908601 /nfs/dbraw/zinc/90/86/01/601908601.db2.gz IKKWEPOZWGGARI-ZJUUUORDSA-N -1 0 301.343 -0.037 20 0 DBADRM NS(=O)(=O)c1cnc(N2CC[C@H](CNC(=O)[O-])C2)s1 ZINC000740341803 601919367 /nfs/dbraw/zinc/91/93/67/601919367.db2.gz GFNVJXVLYDTIML-ZCFIWIBFSA-N -1 0 306.369 -0.116 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)CC2 ZINC000818552516 601930337 /nfs/dbraw/zinc/93/03/37/601930337.db2.gz RLTWYJOYIZTIJQ-ZJUUUORDSA-N -1 0 323.353 -0.145 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000739309070 601940194 /nfs/dbraw/zinc/94/01/94/601940194.db2.gz GGWOTUQISXESPC-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)NCCSCCC(=O)[O-])nn1 ZINC000827804182 601941519 /nfs/dbraw/zinc/94/15/19/601941519.db2.gz RWDKUGSZJJIJCN-MRVPVSSYSA-N -1 0 302.356 -0.345 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCSC[C@H]2CC(=O)[O-])nn1 ZINC000827804047 601943232 /nfs/dbraw/zinc/94/32/32/601943232.db2.gz RDNLUFWJOJCQJC-RKDXNWHRSA-N -1 0 314.367 -0.250 20 0 DBADRM C[C@@H]1CN(CCNC(=O)[C@H]2CSCN2C(=O)[O-])CCO1 ZINC000739183760 601953978 /nfs/dbraw/zinc/95/39/78/601953978.db2.gz SRCCYRIWLDMCQE-NXEZZACHSA-N -1 0 303.384 -0.124 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)Cn1c(C)cc(O)cc1=O ZINC000831725194 601957175 /nfs/dbraw/zinc/95/71/75/601957175.db2.gz RBBUVTGOPXJLJW-UHFFFAOYSA-N -1 0 312.322 -0.188 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000832899688 601958494 /nfs/dbraw/zinc/95/84/94/601958494.db2.gz QWJLBQUQGJTRAP-UHFFFAOYSA-N -1 0 307.266 -0.754 20 0 DBADRM Cc1noc(CNC(=O)NCCN2CCN(C(=O)[O-])CC2)n1 ZINC000740262417 601972781 /nfs/dbraw/zinc/97/27/81/601972781.db2.gz ABAYBNASNZDYRN-UHFFFAOYSA-N -1 0 312.330 -0.527 20 0 DBADRM COC(=O)CCNC(=O)CN1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739761626 601976865 /nfs/dbraw/zinc/97/68/65/601976865.db2.gz PETAVHRTTTXOFL-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)Oc1cnccc1C(=O)[O-] ZINC000832676444 601999628 /nfs/dbraw/zinc/99/96/28/601999628.db2.gz PMDIOTQGHHJMRZ-UHFFFAOYSA-N -1 0 309.321 -0.467 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739769667 602000892 /nfs/dbraw/zinc/00/08/92/602000892.db2.gz BWWRNGUIJVABCH-WDEREUQCSA-N -1 0 313.354 -0.403 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN3C(=O)OC[C@H]3C2)c[nH]1 ZINC000833302755 602009606 /nfs/dbraw/zinc/00/96/06/602009606.db2.gz FCFRYSQYACBLJM-SSDOTTSWSA-N -1 0 315.307 -0.462 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 ZINC000827986206 602012107 /nfs/dbraw/zinc/01/21/07/602012107.db2.gz RHBKUJOENJPISE-LBPRGKRZSA-N -1 0 319.383 -0.775 20 0 DBADRM Cn1cc(NC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1C(=O)[O-] ZINC000833049109 602023387 /nfs/dbraw/zinc/02/33/87/602023387.db2.gz BBJBLDZNYYWBPW-SCZZXKLOSA-N -1 0 310.310 -0.122 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)Cc2cccc(O)c2)CC1 ZINC000740384549 602026521 /nfs/dbraw/zinc/02/65/21/602026521.db2.gz NEONZXHIJLXBPS-UHFFFAOYSA-N -1 0 321.333 -0.127 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000823842265 602028887 /nfs/dbraw/zinc/02/88/87/602028887.db2.gz KMNOAMROIQNRLF-SKDRFNHKSA-N -1 0 306.384 -0.117 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN2C(=O)OC[C@H]2C1)C(=O)[O-] ZINC000828715928 602030219 /nfs/dbraw/zinc/03/02/19/602030219.db2.gz DWPRKJGPNRVTNX-UMNHJUIQSA-N -1 0 313.354 -0.262 20 0 DBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(C)n1 ZINC000818593859 602032190 /nfs/dbraw/zinc/03/21/90/602032190.db2.gz YIXRKDXVWFCITA-SNVBAGLBSA-N -1 0 323.305 -0.351 20 0 DBADRM Cn1c(NCCN(C(=O)[O-])C2CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000740280674 602040927 /nfs/dbraw/zinc/04/09/27/602040927.db2.gz CPNMNMGQAOYOBE-UHFFFAOYSA-N -1 0 322.325 -0.073 20 0 DBADRM COCCn1cc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cn1 ZINC000831799951 602047705 /nfs/dbraw/zinc/04/77/05/602047705.db2.gz CGDVLERWYYSANS-AWEZNQCLSA-N -1 0 324.337 -0.209 20 0 DBADRM O=C([O-])NC[C@H]1CCN(C(=O)NCCN2CCOCC2)C1 ZINC000740639966 602054007 /nfs/dbraw/zinc/05/40/07/602054007.db2.gz WSFZRIYOAGSDQI-LLVKDONJSA-N -1 0 300.359 -0.382 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000740642929 602054520 /nfs/dbraw/zinc/05/45/20/602054520.db2.gz UQTRGMDOUHNAKQ-DTWKUNHWSA-N -1 0 305.356 -0.527 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000740642930 602054593 /nfs/dbraw/zinc/05/45/93/602054593.db2.gz UQTRGMDOUHNAKQ-IUCAKERBSA-N -1 0 305.356 -0.527 20 0 DBADRM NC(=O)NC(=O)CCNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833083731 602063177 /nfs/dbraw/zinc/06/31/77/602063177.db2.gz JSKSETSZBBJCAW-UHFFFAOYSA-N -1 0 315.307 -0.752 20 0 DBADRM CC(C)(CNC(=O)N1CC[C@](C)(C(=O)[O-])C1)NS(C)(=O)=O ZINC000111774637 602068001 /nfs/dbraw/zinc/06/80/01/602068001.db2.gz KMDTWGAJNQBLEZ-LBPRGKRZSA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)NCCCN2C(=O)CNC2=O)C1 ZINC000827996013 602068756 /nfs/dbraw/zinc/06/87/56/602068756.db2.gz KTUMEIMBHZGFAA-CYBMUJFWSA-N -1 0 312.326 -0.566 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1nc2nccc(C)n2n1 ZINC000829978688 602076896 /nfs/dbraw/zinc/07/68/96/602076896.db2.gz MYKNWQJIMBNCAY-VIFPVBQESA-N -1 0 307.310 -0.006 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739462582 602084127 /nfs/dbraw/zinc/08/41/27/602084127.db2.gz OEGKKHZCMJDFTF-SSDOTTSWSA-N -1 0 323.309 -0.249 20 0 DBADRM NC(=O)CCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000740330186 602087621 /nfs/dbraw/zinc/08/76/21/602087621.db2.gz YBUZNUSFZMZDAO-UHFFFAOYSA-N -1 0 309.282 -0.508 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000739284517 602110847 /nfs/dbraw/zinc/11/08/47/602110847.db2.gz JOAZFOSVDSOIRN-LBPRGKRZSA-N -1 0 321.399 -0.083 20 0 DBADRM CC(=O)NCCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737548488 602117939 /nfs/dbraw/zinc/11/79/39/602117939.db2.gz ZMSMKGNDYRGZJQ-UHFFFAOYSA-N -1 0 321.333 -0.105 20 0 DBADRM COC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738062917 602129473 /nfs/dbraw/zinc/12/94/73/602129473.db2.gz SQMUAOUXHRNNBN-HNNXBMFYSA-N -1 0 324.333 -0.234 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)C(=O)N(C)C ZINC000818669957 602134849 /nfs/dbraw/zinc/13/48/49/602134849.db2.gz LRJDCPGGHQGHMX-SECBINFHSA-N -1 0 321.333 -0.155 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)C(=O)[O-] ZINC000827542309 602135089 /nfs/dbraw/zinc/13/50/89/602135089.db2.gz SRHKDUZCNNLGIS-KXUCPTDWSA-N -1 0 304.368 -0.220 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)CC[C@@H]1CCCO1 ZINC000833208235 602141995 /nfs/dbraw/zinc/14/19/95/602141995.db2.gz XTLFYMSIRPACEE-VHSXEESVSA-N -1 0 320.367 -0.840 20 0 DBADRM COC(=O)C[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)C(=O)[O-] ZINC000831133061 602143424 /nfs/dbraw/zinc/14/34/24/602143424.db2.gz ATWABRAHPLYUBZ-DTWKUNHWSA-N -1 0 309.340 -0.509 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000739288643 602143538 /nfs/dbraw/zinc/14/35/38/602143538.db2.gz QZDNCMVTAIDHQU-LBPRGKRZSA-N -1 0 321.399 -0.036 20 0 DBADRM Cc1n[nH]c(C)c1NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000315418649 602145021 /nfs/dbraw/zinc/14/50/21/602145021.db2.gz NWDUGKLBPKPXJR-VIFPVBQESA-N -1 0 309.326 -0.760 20 0 DBADRM COC(=O)CN(CC(=O)OC)C(=O)C1CCN(C(=O)[O-])CC1 ZINC000738035267 602157390 /nfs/dbraw/zinc/15/73/90/602157390.db2.gz IGCMKFGVAUWRPE-UHFFFAOYSA-N -1 0 316.310 -0.449 20 0 DBADRM CN(CC(=O)N1CCN(CC(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000739620865 602158708 /nfs/dbraw/zinc/15/87/08/602158708.db2.gz QKASBLVJZPXOJE-UHFFFAOYSA-N -1 0 312.370 -0.637 20 0 DBADRM CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000739623302 602159067 /nfs/dbraw/zinc/15/90/67/602159067.db2.gz CUDXNCHEHISFKQ-UHFFFAOYSA-N -1 0 315.351 -0.398 20 0 DBADRM CCS(=O)(=O)N1CCC(NC(=O)CN(C)C(=O)[O-])CC1 ZINC000739515760 602159930 /nfs/dbraw/zinc/15/99/30/602159930.db2.gz GZFBFGIHBUGHMT-UHFFFAOYSA-N -1 0 307.372 -0.474 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)C(=O)[O-] ZINC000739933908 602160232 /nfs/dbraw/zinc/16/02/32/602160232.db2.gz VBQLVWIQRSUULF-UHFFFAOYSA-N -1 0 317.323 -0.109 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)NC[C@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000740326190 602165679 /nfs/dbraw/zinc/16/56/79/602165679.db2.gz CLRMYZCYWVCJLD-NXEZZACHSA-N -1 0 314.342 -0.728 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000827261754 602166953 /nfs/dbraw/zinc/16/69/53/602166953.db2.gz BEMPJCITVKBTQK-JTQLQIEISA-N -1 0 318.337 -0.116 20 0 DBADRM CN(CC(=O)NCC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000739622624 602167640 /nfs/dbraw/zinc/16/76/40/602167640.db2.gz CQYIPUMFFPQIOU-UHFFFAOYSA-N -1 0 307.372 -0.616 20 0 DBADRM CCNC(=O)N1CC[C@H](NS(=O)(=O)CCCC(=O)[O-])C1 ZINC000829795551 602169517 /nfs/dbraw/zinc/16/95/17/602169517.db2.gz WYOGIFUJTRJURT-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000827257139 602184732 /nfs/dbraw/zinc/18/47/32/602184732.db2.gz LLCBNRJEFZHDNA-TVLCNXBWSA-N -1 0 311.338 -0.066 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)CC1CCCC1 ZINC000833207792 602204868 /nfs/dbraw/zinc/20/48/68/602204868.db2.gz PNSNWANWCYOISE-SNVBAGLBSA-N -1 0 304.368 -0.219 20 0 DBADRM C[C@H](OC(=O)CN(C)C(=O)[O-])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000739040746 602206041 /nfs/dbraw/zinc/20/60/41/602206041.db2.gz FPIICMDPKODYLZ-DTWKUNHWSA-N -1 0 315.326 -0.748 20 0 DBADRM CN(CC(=O)OCC(=O)N1CCCC[C@H]1C(N)=O)C(=O)[O-] ZINC000739631203 602208216 /nfs/dbraw/zinc/20/82/16/602208216.db2.gz PFAGBVXQSYXOSP-QMMMGPOBSA-N -1 0 301.299 -0.994 20 0 DBADRM C[C@@H](OC(=O)CN(C)C(=O)[O-])C(=O)N1CCC(C(N)=O)CC1 ZINC000739043573 602209301 /nfs/dbraw/zinc/20/93/01/602209301.db2.gz XRTGTDMHBXVZFM-MRVPVSSYSA-N -1 0 315.326 -0.748 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)NCCn2ncnn2)c1 ZINC000380238782 602210809 /nfs/dbraw/zinc/21/08/09/602210809.db2.gz ZMDKXXORKYOFAR-UHFFFAOYSA-N -1 0 315.286 -0.511 20 0 DBADRM CN(CC(=O)OCC(=O)NC(=O)NC1CCCC1)C(=O)[O-] ZINC000739630312 602211596 /nfs/dbraw/zinc/21/15/96/602211596.db2.gz BLTXIEPBWBGWDL-UHFFFAOYSA-N -1 0 301.299 -0.092 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000739226686 602213691 /nfs/dbraw/zinc/21/36/91/602213691.db2.gz ARELZPVPKQXJOQ-LDYMZIIASA-N -1 0 315.326 -0.830 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)OCC(=O)N1CCNC1=O ZINC000739297249 602219216 /nfs/dbraw/zinc/21/92/16/602219216.db2.gz QLYJCHXCXRPUFH-LBPRGKRZSA-N -1 0 301.299 -0.092 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)OCCCNC(=O)[O-])c2=O ZINC000740296298 602227014 /nfs/dbraw/zinc/22/70/14/602227014.db2.gz GOHSKWDRTVGBCO-UHFFFAOYSA-N -1 0 309.282 -0.669 20 0 DBADRM CC(C)S(=O)(=O)CCCN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000696721074 602234678 /nfs/dbraw/zinc/23/46/78/602234678.db2.gz REGNZCCMJCWSMI-JTQLQIEISA-N -1 0 306.384 -0.525 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000826000166 602235323 /nfs/dbraw/zinc/23/53/23/602235323.db2.gz NPVJQTSLXRYTQB-YGRLFVJLSA-N -1 0 310.354 -0.443 20 0 DBADRM COC1(C(=O)NC[C@H]2CN(C)CCO2)CCN(C(=O)[O-])CC1 ZINC000739798314 602248337 /nfs/dbraw/zinc/24/83/37/602248337.db2.gz YQAZMMIHPNKIMR-NSHDSACASA-N -1 0 315.370 -0.408 20 0 DBADRM COC1(C(=O)N(C)CCS(C)(=O)=O)CCN(C(=O)[O-])CC1 ZINC000739800756 602249557 /nfs/dbraw/zinc/24/95/57/602249557.db2.gz ZYSXQCISACHSDL-UHFFFAOYSA-N -1 0 322.383 -0.352 20 0 DBADRM CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)C(=O)[O-])c1=O ZINC000739560747 602251774 /nfs/dbraw/zinc/25/17/74/602251774.db2.gz FYSMAZICGMGNKV-SECBINFHSA-N -1 0 319.317 -0.228 20 0 DBADRM NS(=O)(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000740340601 602262759 /nfs/dbraw/zinc/26/27/59/602262759.db2.gz GQVMPARPFFVWMC-VIFPVBQESA-N -1 0 305.356 -0.592 20 0 DBADRM NS(=O)(=O)C1CCN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000740343050 602262881 /nfs/dbraw/zinc/26/28/81/602262881.db2.gz SAJXSUADAGFJFJ-SECBINFHSA-N -1 0 319.383 -0.344 20 0 DBADRM C[C@@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000738966181 602272957 /nfs/dbraw/zinc/27/29/57/602272957.db2.gz ZDMYQIOBPSWJJS-SSDOTTSWSA-N -1 0 302.308 -0.698 20 0 DBADRM COC(=O)CNC(=O)CN1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000739759745 602274668 /nfs/dbraw/zinc/27/46/68/602274668.db2.gz CZMICCSDORURIF-ZJUUUORDSA-N -1 0 301.343 -0.214 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000825841639 602279589 /nfs/dbraw/zinc/27/95/89/602279589.db2.gz UZHNUBOSQLZONU-NXEZZACHSA-N -1 0 314.338 -0.280 20 0 DBADRM CN1CCO[C@H]2CN(C(=O)Nc3ccn(CC(=O)[O-])n3)C[C@H]21 ZINC000830966261 602279788 /nfs/dbraw/zinc/27/97/88/602279788.db2.gz YQNXFZVEPGILAU-ZJUUUORDSA-N -1 0 309.326 -0.486 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccn(Cc2ccccn2)n1 ZINC000819473234 602286055 /nfs/dbraw/zinc/28/60/55/602286055.db2.gz GMKHDRGCBMGDLZ-UHFFFAOYSA-N -1 0 317.305 -0.144 20 0 DBADRM O=C([O-])N1CCN(C(=O)NCCCN2CCOC2=O)CC1 ZINC000738647671 602289231 /nfs/dbraw/zinc/28/92/31/602289231.db2.gz OBHZCHWPQYFLLF-UHFFFAOYSA-N -1 0 300.315 -0.166 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@H]1CCCN1C(=O)[O-] ZINC000739517526 602290635 /nfs/dbraw/zinc/29/06/35/602290635.db2.gz YDMILDMFGZYEEA-SECBINFHSA-N -1 0 307.372 -0.426 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000739517528 602290742 /nfs/dbraw/zinc/29/07/42/602290742.db2.gz YDMILDMFGZYEEA-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=S)NCCNS(C)(=O)=O ZINC000738752136 602292697 /nfs/dbraw/zinc/29/26/97/602292697.db2.gz KMTZILJCMUTOCV-UHFFFAOYSA-N -1 0 312.417 -0.954 20 0 DBADRM CN1CCN(c2ncnc(N3CCN(C)CC3)c2C(=O)[O-])CC1 ZINC000830960249 602293593 /nfs/dbraw/zinc/29/35/93/602293593.db2.gz HTCQXEAYAVDSPT-UHFFFAOYSA-N -1 0 320.397 -0.322 20 0 DBADRM CN(CCNC(=O)CSc1nnnn1C1CC1)C(=O)[O-] ZINC000739691548 602296816 /nfs/dbraw/zinc/29/68/16/602296816.db2.gz IVKGCSMTGDABJL-UHFFFAOYSA-N -1 0 300.344 -0.174 20 0 DBADRM CN(CCNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)[O-] ZINC000739692561 602297644 /nfs/dbraw/zinc/29/76/44/602297644.db2.gz RBVYJLVDBSIQLK-ZDUSSCGKSA-N -1 0 312.326 -0.567 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000738035785 602302246 /nfs/dbraw/zinc/30/22/46/602302246.db2.gz HJNPMHKIJWWKKO-ZJUUUORDSA-N -1 0 300.311 -0.223 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C2CCN(C(=O)[O-])CC2)CCO1 ZINC000738039712 602302321 /nfs/dbraw/zinc/30/23/21/602302321.db2.gz ZYCZVHNHBYECFW-SNVBAGLBSA-N -1 0 300.311 -0.223 20 0 DBADRM O=C([O-])NC1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000740589957 602303170 /nfs/dbraw/zinc/30/31/70/602303170.db2.gz YTQSOLNTUHLRLL-UHFFFAOYSA-N -1 0 310.310 -0.815 20 0 DBADRM Cn1nnnc1SCCC(=O)NC(C)(C)CNC(=O)[O-] ZINC000740305352 602305138 /nfs/dbraw/zinc/30/51/38/602305138.db2.gz RYJFJOFECPJACR-UHFFFAOYSA-N -1 0 302.360 -0.145 20 0 DBADRM Cn1[nH]cnc1=NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833061960 602307828 /nfs/dbraw/zinc/30/78/28/602307828.db2.gz JYJYGWUNPUCLAI-UHFFFAOYSA-N -1 0 300.271 -0.125 20 0 DBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)CNC(=O)[O-])c1 ZINC000739157666 602311923 /nfs/dbraw/zinc/31/19/23/602311923.db2.gz PNGUJUWEYDBEKR-UHFFFAOYSA-N -1 0 308.294 -0.502 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCCNC(=O)[O-] ZINC000739993659 602321055 /nfs/dbraw/zinc/32/10/55/602321055.db2.gz FNEOKBVYKKEWSO-SECBINFHSA-N -1 0 322.387 -0.633 20 0 DBADRM CN(CC(=O)Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)[O-] ZINC000739628173 602325493 /nfs/dbraw/zinc/32/54/93/602325493.db2.gz TYCXSAICHAEOQY-UHFFFAOYSA-N -1 0 307.310 -0.434 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCCN(CC(N)=O)CC1 ZINC000739312264 602342549 /nfs/dbraw/zinc/34/25/49/602342549.db2.gz JHMYFYBNMVVYOF-JTQLQIEISA-N -1 0 300.359 -0.558 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000739525537 602346362 /nfs/dbraw/zinc/34/63/62/602346362.db2.gz LYUJEKBJWBPYFO-NSHDSACASA-N -1 0 314.386 -0.299 20 0 DBADRM O=C([O-])NCCCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000740653739 602346839 /nfs/dbraw/zinc/34/68/39/602346839.db2.gz VHZMWXKUTGSDFX-UHFFFAOYSA-N -1 0 320.305 -0.124 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NCCCNC(=O)[O-])cs1 ZINC000740339351 602348997 /nfs/dbraw/zinc/34/89/97/602348997.db2.gz ZNUPLFSMUUKLPK-UHFFFAOYSA-N -1 0 307.353 -0.217 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N(C)CC(=O)N1CCOCC1 ZINC000739304695 602349595 /nfs/dbraw/zinc/34/95/95/602349595.db2.gz PNKSVKOFBOLSOZ-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N(C)CC(=O)N1CCOCC1 ZINC000739304698 602349491 /nfs/dbraw/zinc/34/94/91/602349491.db2.gz PNKSVKOFBOLSOZ-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)C1(NC(=O)[O-])CCCC1 ZINC000739622159 602349732 /nfs/dbraw/zinc/34/97/32/602349732.db2.gz VGWKJXXFMQVONT-UHFFFAOYSA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])NCCCNC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000740653873 602349973 /nfs/dbraw/zinc/34/99/73/602349973.db2.gz YLZRUDWYUALSOR-MRVPVSSYSA-N -1 0 310.397 -0.319 20 0 DBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCCCNC(=O)[O-])cnc21 ZINC000740275912 602351368 /nfs/dbraw/zinc/35/13/68/602351368.db2.gz XNVSCMJDGYFVSP-UHFFFAOYSA-N -1 0 321.293 -0.578 20 0 DBADRM O=C([O-])NCCCNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000740653912 602352217 /nfs/dbraw/zinc/35/22/17/602352217.db2.gz YXRYSLINNSWALL-NXEZZACHSA-N -1 0 311.338 -0.065 20 0 DBADRM Cn1cc(NC(=O)NCCCNS(C)(=O)=O)cc1C(=O)[O-] ZINC000833051326 602355296 /nfs/dbraw/zinc/35/52/96/602355296.db2.gz PGQABVIVDXEINK-UHFFFAOYSA-N -1 0 318.355 -0.216 20 0 DBADRM CC(C)N(CCCNC(=O)CN1C(=O)CN(C)C1=O)C(=O)[O-] ZINC000738850008 602356312 /nfs/dbraw/zinc/35/63/12/602356312.db2.gz NZZLVJXJMLHLNL-UHFFFAOYSA-N -1 0 314.342 -0.225 20 0 DBADRM CC(C)N(CCCNC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)[O-] ZINC000738849594 602357156 /nfs/dbraw/zinc/35/71/56/602357156.db2.gz JCOFUERPKLLRFX-VIFPVBQESA-N -1 0 314.342 -0.131 20 0 DBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@H]1CCSC1 ZINC000833248408 602362578 /nfs/dbraw/zinc/36/25/78/602362578.db2.gz QAMNGFXTUWAZKN-LLVKDONJSA-N -1 0 302.396 -0.015 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000738866332 602367954 /nfs/dbraw/zinc/36/79/54/602367954.db2.gz ALCJJONKLLXVFS-QMMMGPOBSA-N -1 0 312.326 -0.521 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000740417676 602378120 /nfs/dbraw/zinc/37/81/20/602378120.db2.gz FOQLTKLHZASUME-HTQZYQBOSA-N -1 0 308.381 -0.410 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)NCCCNC(=O)[O-])cc1 ZINC000739747350 602388897 /nfs/dbraw/zinc/38/88/97/602388897.db2.gz STRLZPFMHFBAMH-UHFFFAOYSA-N -1 0 315.351 -0.018 20 0 DBADRM CC1(C2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)CC2)OCCO1 ZINC000828088234 602393116 /nfs/dbraw/zinc/39/31/16/602393116.db2.gz HNHZEVSOIYSRPE-UHFFFAOYSA-N -1 0 324.337 -0.022 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCCCN(C)S(C)(=O)=O ZINC000736371028 602393696 /nfs/dbraw/zinc/39/36/96/602393696.db2.gz YBFKGCJHBSCGCR-VIFPVBQESA-N -1 0 309.388 -0.324 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000739524517 602393921 /nfs/dbraw/zinc/39/39/21/602393921.db2.gz NTUDNWMFRUOZDB-BDAKNGLRSA-N -1 0 307.372 -0.427 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1=O ZINC000830894129 602394120 /nfs/dbraw/zinc/39/41/20/602394120.db2.gz HKHUJMIWDVSYBV-UHFFFAOYSA-N -1 0 323.236 -0.117 20 0 DBADRM CN(CC(F)F)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739635922 602394225 /nfs/dbraw/zinc/39/42/25/602394225.db2.gz VPQUBLOFILOOGX-UHFFFAOYSA-N -1 0 308.285 -0.285 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@@H](O)c2cccc(F)c2)nn1 ZINC000833121020 602401396 /nfs/dbraw/zinc/40/13/96/602401396.db2.gz ARQZLNCNTFKMLN-LLVKDONJSA-N -1 0 308.269 -0.035 20 0 DBADRM COc1cccc([C@H](O)CNC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000832532862 602401988 /nfs/dbraw/zinc/40/19/88/602401988.db2.gz GSGMBXXODKZBOJ-GFCCVEGCSA-N -1 0 320.305 -0.165 20 0 DBADRM CN(CCNC(=O)CCc1nc(-c2nc[nH]n2)no1)C(=O)[O-] ZINC000739693384 602405885 /nfs/dbraw/zinc/40/58/85/602405885.db2.gz YRPVYDPRFNVCFC-UHFFFAOYSA-N -1 0 309.286 -0.487 20 0 DBADRM CC(C)N(CCCNC(=O)[C@@H](C)NS(C)(=O)=O)C(=O)[O-] ZINC000739038475 602406434 /nfs/dbraw/zinc/40/64/34/602406434.db2.gz UHCXKCPRPZNWHC-SECBINFHSA-N -1 0 309.388 -0.181 20 0 DBADRM CC(C)N(CCCNC(=O)[C@H](C)NS(C)(=O)=O)C(=O)[O-] ZINC000739038478 602406460 /nfs/dbraw/zinc/40/64/60/602406460.db2.gz UHCXKCPRPZNWHC-VIFPVBQESA-N -1 0 309.388 -0.181 20 0 DBADRM CC[NH+](CC)CC(=O)N1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000737085689 602406959 /nfs/dbraw/zinc/40/69/59/602406959.db2.gz QKVJIGMXVXVMNF-UHFFFAOYSA-N -1 0 314.386 -0.391 20 0 DBADRM CC(C)N(CCCNC(=O)NCCNS(C)(=O)=O)C(=O)[O-] ZINC000738847399 602414237 /nfs/dbraw/zinc/41/42/37/602414237.db2.gz YVCHRLQMLYWYBU-UHFFFAOYSA-N -1 0 324.403 -0.387 20 0 DBADRM Cc1nc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C)nn1-c1nc[nH]n1 ZINC000740208244 602425255 /nfs/dbraw/zinc/42/52/55/602425255.db2.gz QLWJVQULPAWPRL-SSDOTTSWSA-N -1 0 320.313 -0.482 20 0 DBADRM CN(CC(=O)N[C@](C)(CNC(=O)[O-])C1CC1)S(C)(=O)=O ZINC000739621296 602426537 /nfs/dbraw/zinc/42/65/37/602426537.db2.gz ANWIAFKTDPJUNZ-LLVKDONJSA-N -1 0 307.372 -0.570 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)NCCCNC(=O)[O-])c1 ZINC000740334800 602426932 /nfs/dbraw/zinc/42/69/32/602426932.db2.gz CLTJRXPGJNTKTD-UHFFFAOYSA-N -1 0 308.294 -0.502 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)OCCNC(=O)[O-])C1 ZINC000737223230 602429243 /nfs/dbraw/zinc/42/92/43/602429243.db2.gz XZCDFCUXUCCDTR-SECBINFHSA-N -1 0 308.356 -0.141 20 0 DBADRM CS(=O)(=O)CCNC(=S)N1CCC[C@H](NC(=O)[O-])C1 ZINC000738126745 602430307 /nfs/dbraw/zinc/43/03/07/602430307.db2.gz JDMCOBXYBUNYNK-QMMMGPOBSA-N -1 0 309.413 -0.363 20 0 DBADRM CN(CCNC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000739692914 602437477 /nfs/dbraw/zinc/43/74/77/602437477.db2.gz CPJOMUCDMOQCFW-UHFFFAOYSA-N -1 0 322.387 -0.681 20 0 DBADRM CN(CCNC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC000739694062 602439777 /nfs/dbraw/zinc/43/97/77/602439777.db2.gz IQXGPQZHDYKJMX-UHFFFAOYSA-N -1 0 310.376 -0.823 20 0 DBADRM CN(CCNC(=O)NCCC(=O)N1CCOCC1)C(=O)[O-] ZINC000739695466 602439783 /nfs/dbraw/zinc/43/97/83/602439783.db2.gz SNTJBFQZWIGIPO-UHFFFAOYSA-N -1 0 302.331 -0.856 20 0 DBADRM O=C([O-])N1CCC(NC(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000739924803 602441541 /nfs/dbraw/zinc/44/15/41/602441541.db2.gz NQGMQZYUEYYNGI-UHFFFAOYSA-N -1 0 305.356 -0.431 20 0 DBADRM CN(CCNC(=O)NCCCN1CCCS1(=O)=O)C(=O)[O-] ZINC000739695072 602442394 /nfs/dbraw/zinc/44/23/94/602442394.db2.gz RZOOWRKHCHARRH-UHFFFAOYSA-N -1 0 322.387 -0.679 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)NCCN(C)C(=O)[O-] ZINC000739516247 602442773 /nfs/dbraw/zinc/44/27/73/602442773.db2.gz RXEHTPLCDNGISA-UHFFFAOYSA-N -1 0 310.376 -0.775 20 0 DBADRM CN(CCNC(=O)N1CCC[C@@H](CNC(N)=O)C1)C(=O)[O-] ZINC000739690622 602444050 /nfs/dbraw/zinc/44/40/50/602444050.db2.gz BUPQTQRBFXYMIQ-VIFPVBQESA-N -1 0 301.347 -0.314 20 0 DBADRM CCC(CC)(CNC(=O)[O-])NC(=O)CN(C)S(C)(=O)=O ZINC000739249870 602444762 /nfs/dbraw/zinc/44/47/62/602444762.db2.gz MUUBTRXUOCHBHX-UHFFFAOYSA-N -1 0 309.388 -0.180 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)CCCN1C(=O)CN(C)C1=O ZINC000738925983 602448763 /nfs/dbraw/zinc/44/87/63/602448763.db2.gz OFJZSSGGJNFCPG-VIFPVBQESA-N -1 0 314.342 -0.225 20 0 DBADRM O=C([O-])NC[C@H]1CCCCN1C(=O)CN1CCC(=O)NC1=O ZINC000740626279 602451120 /nfs/dbraw/zinc/45/11/20/602451120.db2.gz YHPZUKIDJMDSBP-SECBINFHSA-N -1 0 312.326 -0.423 20 0 DBADRM CS(=O)(=O)N1CCN(C[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739989426 602451186 /nfs/dbraw/zinc/45/11/86/602451186.db2.gz CBFNCQAMFOZSMM-NSHDSACASA-N -1 0 305.400 -0.046 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)CN(C)S(C)(=O)=O ZINC000738809084 602454433 /nfs/dbraw/zinc/45/44/33/602454433.db2.gz WZEWMNWHVBBXHE-VIFPVBQESA-N -1 0 309.388 -0.324 20 0 DBADRM O=C([O-])N1CC[C@H](CCNS(=O)(=O)N2CCOCC2)C1 ZINC000740496937 602456306 /nfs/dbraw/zinc/45/63/06/602456306.db2.gz JZIFEGQXORABMD-JTQLQIEISA-N -1 0 307.372 -0.457 20 0 DBADRM Cn1cnc2c1ncnc2NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740297704 602461695 /nfs/dbraw/zinc/46/16/95/602461695.db2.gz XRVUZQKUDCFASW-UHFFFAOYSA-N -1 0 319.325 -0.403 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)NCC1CCN(C(=O)[O-])CC1 ZINC000740370773 602461697 /nfs/dbraw/zinc/46/16/97/602461697.db2.gz YGEHMQGQDQXGMN-UHFFFAOYSA-N -1 0 312.326 -0.566 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCCCN(C)C(=O)[O-] ZINC000740031500 602461860 /nfs/dbraw/zinc/46/18/60/602461860.db2.gz LYHROUUIFFHKES-UHFFFAOYSA-N -1 0 321.337 -0.010 20 0 DBADRM O=C(CCn1cc[nH]c(=O)c1=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000740363618 602462214 /nfs/dbraw/zinc/46/22/14/602462214.db2.gz CNZFLTHZLNEFTN-JTQLQIEISA-N -1 0 324.337 -0.567 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)CCSc1nnnn1C ZINC000738923417 602463731 /nfs/dbraw/zinc/46/37/31/602463731.db2.gz HIGKAZAYCFIPDL-SSDOTTSWSA-N -1 0 302.360 -0.193 20 0 DBADRM COCCCN(C(=O)CNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739810011 602464116 /nfs/dbraw/zinc/46/41/16/602464116.db2.gz HIDSLOZFDHRHHE-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Cn1nc2ccccn2c1=O ZINC000738932747 602465037 /nfs/dbraw/zinc/46/50/37/602465037.db2.gz XSUNQHJHRLWKCA-VIFPVBQESA-N -1 0 307.310 -0.390 20 0 DBADRM NC(=O)CN1CCN(C(=O)C2CCC(NC(=O)[O-])CC2)CC1 ZINC000740333766 602465831 /nfs/dbraw/zinc/46/58/31/602465831.db2.gz GINBOUMCALRMMA-UHFFFAOYSA-N -1 0 312.370 -0.558 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000738935632 602465908 /nfs/dbraw/zinc/46/59/08/602465908.db2.gz UQWIGQMOFCDVBX-MRVPVSSYSA-N -1 0 312.330 -0.906 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000739072165 602469576 /nfs/dbraw/zinc/46/95/76/602469576.db2.gz BAXHNECWERQFNF-LKFCYVNXSA-N -1 0 324.337 -0.425 20 0 DBADRM O=C(CSc1nnnn1C1CC1)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740380693 602478012 /nfs/dbraw/zinc/47/80/12/602478012.db2.gz MAZGCEBTGDMALA-ZETCQYMHSA-N -1 0 312.355 -0.031 20 0 DBADRM CN(C[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1)C(=O)[O-] ZINC000739644479 602486180 /nfs/dbraw/zinc/48/61/80/602486180.db2.gz MXGAEILNLSQJIR-SNVBAGLBSA-N -1 0 319.383 -0.520 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738538246 602491679 /nfs/dbraw/zinc/49/16/79/602491679.db2.gz UMNOBMNSRCHPDV-JTQLQIEISA-N -1 0 300.359 -0.735 20 0 DBADRM CN(C)S(=O)(=O)c1ccsc1C(=O)NCCNC(=O)[O-] ZINC000739613280 602493674 /nfs/dbraw/zinc/49/36/74/602493674.db2.gz DMHKDSBQIZXCOD-UHFFFAOYSA-N -1 0 321.380 -0.004 20 0 DBADRM CC(=O)N(C)CC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738508278 602494622 /nfs/dbraw/zinc/49/46/22/602494622.db2.gz FZMNVIZSIKPPOI-UHFFFAOYSA-N -1 0 300.359 -0.781 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000739284513 602496017 /nfs/dbraw/zinc/49/60/17/602496017.db2.gz JIWQVFOVMQSVES-NSHDSACASA-N -1 0 322.387 -0.840 20 0 DBADRM NC(=O)C1(CNC(=O)[C@H]2CCCCN2C(=O)[O-])CCOCC1 ZINC000740323505 602499351 /nfs/dbraw/zinc/49/93/51/602499351.db2.gz BZHQKNYAOZTRFB-SNVBAGLBSA-N -1 0 313.354 -0.083 20 0 DBADRM CN(CCCNC(=O)[C@H]1CCCCN1C(=O)[O-])S(C)(=O)=O ZINC000739679550 602499488 /nfs/dbraw/zinc/49/94/88/602499488.db2.gz FVCKIQODECKJEZ-SNVBAGLBSA-N -1 0 321.399 -0.083 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000739750526 602517938 /nfs/dbraw/zinc/51/79/38/602517938.db2.gz NSKFLHRQXYAMIU-UHFFFAOYSA-N -1 0 307.372 -0.426 20 0 DBADRM CN1CC(=O)N(CC(=O)NC2(CNC(=O)[O-])CCCC2)C1=O ZINC000739725631 602520493 /nfs/dbraw/zinc/52/04/93/602520493.db2.gz ZVCOLSHNTVLUCA-UHFFFAOYSA-N -1 0 312.326 -0.423 20 0 DBADRM CCC(CC)(CNC(=O)[O-])NC(=O)CN1C(=O)CN(C)C1=O ZINC000739250477 602522307 /nfs/dbraw/zinc/52/23/07/602522307.db2.gz TZLNUFAGENNDRB-UHFFFAOYSA-N -1 0 314.342 -0.177 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000738936166 602525255 /nfs/dbraw/zinc/52/52/55/602525255.db2.gz ZOBHFPWYTWGERG-ZCFIWIBFSA-N -1 0 305.312 -0.345 20 0 DBADRM CN(C(=O)[O-])C1CCN(C(=O)CN2CCCS2(=O)=O)CC1 ZINC000737929430 602525648 /nfs/dbraw/zinc/52/56/48/602525648.db2.gz NFQIHMVGWXANGR-UHFFFAOYSA-N -1 0 319.383 -0.377 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)CC[C@H]1NC(=O)NC1=O ZINC000738803190 602530052 /nfs/dbraw/zinc/53/00/52/602530052.db2.gz CUVSDDLLUUFBMW-RKDXNWHRSA-N -1 0 314.342 -0.227 20 0 DBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)CCNS(C)(=O)=O ZINC000738807748 602531754 /nfs/dbraw/zinc/53/17/54/602531754.db2.gz SPYMLLJVWUTGQR-VIFPVBQESA-N -1 0 309.388 -0.276 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)c2cnc3n(c2=O)CCS3)C1 ZINC000740404920 602535051 /nfs/dbraw/zinc/53/50/51/602535051.db2.gz XOWSMSWYJJHRBL-SSDOTTSWSA-N -1 0 310.335 -0.169 20 0 DBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740379437 602538475 /nfs/dbraw/zinc/53/84/75/602538475.db2.gz HOBVKNMOQPOEFT-IUCAKERBSA-N -1 0 322.408 -0.225 20 0 DBADRM COCCS(=O)(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739835931 602550165 /nfs/dbraw/zinc/55/01/65/602550165.db2.gz AZILIOWOZSSJEZ-UHFFFAOYSA-N -1 0 309.388 -0.810 20 0 DBADRM CCN(CCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000739434235 602552565 /nfs/dbraw/zinc/55/25/65/602552565.db2.gz OBMAOOPFJZTUDB-NXEZZACHSA-N -1 0 309.388 -0.070 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739815104 602563799 /nfs/dbraw/zinc/56/37/99/602563799.db2.gz ZGCKSAAZMXYKBE-SNVBAGLBSA-N -1 0 309.388 -0.259 20 0 DBADRM COCC(=O)N1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739805034 602576647 /nfs/dbraw/zinc/57/66/47/602576647.db2.gz KAIQYKVUXQNMID-SNVBAGLBSA-N -1 0 314.342 -0.761 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000738705799 602580146 /nfs/dbraw/zinc/58/01/46/602580146.db2.gz ZTZMVFVFRHBPOC-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)[O-])nn1 ZINC000739596812 602581836 /nfs/dbraw/zinc/58/18/36/602581836.db2.gz MPXMYTUODSALJZ-SECBINFHSA-N -1 0 324.341 -0.762 20 0 DBADRM O=C([O-])N1CCC[C@H]1CNC(=O)Cc1nc2ncccn2n1 ZINC000740387755 602582605 /nfs/dbraw/zinc/58/26/05/602582605.db2.gz PGDKLKUBYYEDPF-VIFPVBQESA-N -1 0 304.310 -0.075 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739515611 602586617 /nfs/dbraw/zinc/58/66/17/602586617.db2.gz NYEJKDZKPDIZMF-VIFPVBQESA-N -1 0 322.387 -0.633 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000740417696 602586873 /nfs/dbraw/zinc/58/68/73/602586873.db2.gz GCCBMCGPIFSUNY-BDAKNGLRSA-N -1 0 305.356 -0.527 20 0 DBADRM C[C@H](NC(=O)CN1CC(=O)NC1=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738963417 602589927 /nfs/dbraw/zinc/58/99/27/602589927.db2.gz XONZYGBVJWQIMH-DTWKUNHWSA-N -1 0 312.326 -0.567 20 0 DBADRM O=C(CCC(=O)N1CCOCC1)NC[C@H]1CCCN1C(=O)[O-] ZINC000740355462 602590894 /nfs/dbraw/zinc/59/08/94/602590894.db2.gz WPDCWVWBELILJD-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)CNC(=O)c2ccc(O)cc2)C1 ZINC000740373356 602593509 /nfs/dbraw/zinc/59/35/09/602593509.db2.gz FJILEPUSSBPOMD-JTQLQIEISA-N -1 0 307.306 -0.010 20 0 DBADRM CS(=O)(=O)CCCNC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000739984826 602599370 /nfs/dbraw/zinc/59/93/70/602599370.db2.gz SQKLNNGMLLEGJA-SECBINFHSA-N -1 0 307.372 -0.137 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000739515588 602600712 /nfs/dbraw/zinc/60/07/12/602600712.db2.gz NRMHVQRBRNDTLZ-VIFPVBQESA-N -1 0 322.387 -0.633 20 0 DBADRM CN(C)C(=O)CNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739595852 602611126 /nfs/dbraw/zinc/61/11/26/602611126.db2.gz GKUKDXBSVHBEMB-UHFFFAOYSA-N -1 0 315.374 -0.988 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000740416313 602611477 /nfs/dbraw/zinc/61/14/77/602611477.db2.gz IIKZNAUXMNXCBJ-RKDXNWHRSA-N -1 0 305.356 -0.385 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CCO1 ZINC000739757368 602614900 /nfs/dbraw/zinc/61/49/00/602614900.db2.gz XGQWNYHLNRQENU-VHSXEESVSA-N -1 0 315.326 -0.288 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CCO1 ZINC000740329966 602616426 /nfs/dbraw/zinc/61/64/26/602616426.db2.gz ZQVKHNINMBXVPE-BDAKNGLRSA-N -1 0 300.315 -0.976 20 0 DBADRM CN(CCCNC(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000739670086 602617917 /nfs/dbraw/zinc/61/79/17/602617917.db2.gz LVULQYQVJMLCHG-UHFFFAOYSA-N -1 0 316.358 -0.514 20 0 DBADRM CN(CCn1cccn1)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739705596 602623578 /nfs/dbraw/zinc/62/35/78/602623578.db2.gz WDIZSFJWHGJRML-UHFFFAOYSA-N -1 0 324.385 -0.180 20 0 DBADRM O=C([O-])N1CCN(CCNC(=O)NCC2(O)CCCC2)CC1 ZINC000740438222 602626739 /nfs/dbraw/zinc/62/67/39/602626739.db2.gz DJOKORKIZBKSNG-UHFFFAOYSA-N -1 0 314.386 -0.114 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NCCCN2CCOC2=O)C1 ZINC000740428065 602628329 /nfs/dbraw/zinc/62/83/29/602628329.db2.gz LDWWTCNCDRNUHW-SECBINFHSA-N -1 0 300.315 -0.120 20 0 DBADRM CCN(C(=O)N[C@@H]1CCN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000739383541 602633699 /nfs/dbraw/zinc/63/36/99/602633699.db2.gz XCMDUPSIRHFEQX-NXEZZACHSA-N -1 0 319.383 -0.043 20 0 DBADRM CCN(CCNC(=O)N(C)CCN1CCOCC1)C(=O)[O-] ZINC000739426887 602634952 /nfs/dbraw/zinc/63/49/52/602634952.db2.gz WCYZNYCSLWSLFA-UHFFFAOYSA-N -1 0 302.375 -0.040 20 0 DBADRM O=C([O-])N1CCC(C(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC000738501011 602639362 /nfs/dbraw/zinc/63/93/62/602639362.db2.gz PADWVGVJJYCVND-UHFFFAOYSA-N -1 0 312.326 -0.566 20 0 DBADRM O=C([O-])NC1(C(=O)NCCCN2C(=O)CNC2=O)CCCC1 ZINC000740534228 602640156 /nfs/dbraw/zinc/64/01/56/602640156.db2.gz CVRXZWUSQBLJNU-UHFFFAOYSA-N -1 0 312.326 -0.375 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000738927742 602645794 /nfs/dbraw/zinc/64/57/94/602645794.db2.gz VBMCBONODBHEEH-QMMMGPOBSA-N -1 0 322.321 -0.162 20 0 DBADRM C[C@H](CCNC(=O)NCCCN1C(=O)CNC1=O)NC(=O)[O-] ZINC000738903052 602651714 /nfs/dbraw/zinc/65/17/14/602651714.db2.gz XYLNLGVUUCPLKV-MRVPVSSYSA-N -1 0 315.330 -0.726 20 0 DBADRM O=C([O-])NC1(C(=O)OCC(=O)N2CCOCC2)CCCC1 ZINC000740544011 602653415 /nfs/dbraw/zinc/65/34/15/602653415.db2.gz COAFMAONCYWQRX-UHFFFAOYSA-N -1 0 300.311 -0.031 20 0 DBADRM O=C([O-])NCCOCC(=O)NCc1nnc2n1CCCCC2 ZINC000740664666 602659397 /nfs/dbraw/zinc/65/93/97/602659397.db2.gz IEKLNSINWQPJFK-UHFFFAOYSA-N -1 0 311.342 -0.095 20 0 DBADRM CC(C)(C)C(=O)N1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000738675304 602660269 /nfs/dbraw/zinc/66/02/69/602660269.db2.gz VLTKMBWYDRXCQG-UHFFFAOYSA-N -1 0 315.370 -0.013 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000740668489 602664534 /nfs/dbraw/zinc/66/45/34/602664534.db2.gz SOPCJSCXXZRIDJ-CYBMUJFWSA-N -1 0 321.333 -0.030 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)COCCNC(=O)[O-])n1 ZINC000739599960 602664602 /nfs/dbraw/zinc/66/46/02/602664602.db2.gz LVUIUNYDFOMOBP-UHFFFAOYSA-N -1 0 313.314 -0.806 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCN(c2cccnn2)CC1 ZINC000740666444 602665043 /nfs/dbraw/zinc/66/50/43/602665043.db2.gz FNZASQXVYSMXBI-UHFFFAOYSA-N -1 0 309.326 -0.591 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCC(N2CCCC2=O)CC1 ZINC000740663459 602666324 /nfs/dbraw/zinc/66/63/24/602666324.db2.gz IEAOJNYRFNRTBN-UHFFFAOYSA-N -1 0 313.354 -0.116 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)Nc1ccccc1C(=O)NCCC(N)=O ZINC000738994395 602674416 /nfs/dbraw/zinc/67/44/16/602674416.db2.gz LSYSENIWMBDDFP-QMMMGPOBSA-N -1 0 322.321 -0.114 20 0 DBADRM NC(=O)CCNC(=O)c1ccccc1NC(=O)CNC(=O)[O-] ZINC000739157589 602674597 /nfs/dbraw/zinc/67/45/97/602674597.db2.gz MXKMTJUGYWKXLG-UHFFFAOYSA-N -1 0 308.294 -0.502 20 0 DBADRM COCCN(C(=O)[C@@H](C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739812723 602675419 /nfs/dbraw/zinc/67/54/19/602675419.db2.gz NWXYLWXAFHBCJN-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM C[C@@H](CCNC(=O)NCCCN1C(=O)CCC1=O)NC(=O)[O-] ZINC000738898755 602678504 /nfs/dbraw/zinc/67/85/04/602678504.db2.gz AKPZJKSMEMBSAR-VIFPVBQESA-N -1 0 314.342 -0.129 20 0 DBADRM C[C@H](CCNC(=O)NCCCN1C(=O)CCC1=O)NC(=O)[O-] ZINC000738898754 602678581 /nfs/dbraw/zinc/67/85/81/602678581.db2.gz AKPZJKSMEMBSAR-SECBINFHSA-N -1 0 314.342 -0.129 20 0 DBADRM CCOC[C@H](O)CN1CCN(C(=O)[C@H](C)NC(=O)[O-])CC1 ZINC000739491606 602683468 /nfs/dbraw/zinc/68/34/68/602683468.db2.gz VLDGGVLTRPLJIR-WDEREUQCSA-N -1 0 303.359 -0.816 20 0 DBADRM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCCNC(=O)[O-] ZINC000740229561 602685211 /nfs/dbraw/zinc/68/52/11/602685211.db2.gz WDJXWRNBJRWIPY-UHFFFAOYSA-N -1 0 321.337 -0.195 20 0 DBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H](C)NC(=O)[O-])CC1 ZINC000739517221 602687697 /nfs/dbraw/zinc/68/76/97/602687697.db2.gz KLJLPEVVRREUAE-VIFPVBQESA-N -1 0 321.399 -0.085 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739758789 602701630 /nfs/dbraw/zinc/70/16/30/602701630.db2.gz GCNICYUSUFBHCR-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(C)(CNC(=O)[C@H]1CCCN(C(=O)[O-])C1)NS(C)(=O)=O ZINC000737589873 602713522 /nfs/dbraw/zinc/71/35/22/602713522.db2.gz RJFCOHKVVTUGQS-VIFPVBQESA-N -1 0 321.399 -0.180 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCN1CCCS1(=O)=O ZINC000739148265 602716289 /nfs/dbraw/zinc/71/62/89/602716289.db2.gz JSCRPWLAABCNAV-JTQLQIEISA-N -1 0 319.383 -0.377 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000738993661 602729197 /nfs/dbraw/zinc/72/91/97/602729197.db2.gz GFUBBBJHSMZMCC-MRVPVSSYSA-N -1 0 307.372 -0.522 20 0 DBADRM C[C@@H](NC(=O)CN1CCN(C(=O)[O-])C[C@H]1C)C(=O)N(C)C ZINC000738960095 602737742 /nfs/dbraw/zinc/73/77/42/602737742.db2.gz FWUZCJPPHSFHTB-NXEZZACHSA-N -1 0 300.359 -0.737 20 0 DBADRM O=C([O-])N1CCN(CCNS(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC000740526842 602741955 /nfs/dbraw/zinc/74/19/55/602741955.db2.gz MUVAFYKDKSESNW-LLVKDONJSA-N -1 0 321.399 -0.762 20 0 DBADRM CN(CC(=O)OC[C@@H]1CCCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000739630614 602747426 /nfs/dbraw/zinc/74/74/26/602747426.db2.gz HCSMIPDNOZJNGJ-SECBINFHSA-N -1 0 308.356 -0.189 20 0 DBADRM C[C@@H]1CN(C(=S)NCCS(C)(=O)=O)C[C@H](C)N1C(=O)[O-] ZINC000739178768 602749450 /nfs/dbraw/zinc/74/94/50/602749450.db2.gz ZKVLTVVIRRWZBL-DTORHVGOSA-N -1 0 323.440 -0.022 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739837887 602752766 /nfs/dbraw/zinc/75/27/66/602752766.db2.gz NYIPTELBCXIDNC-UWVGGRQHSA-N -1 0 322.383 -0.353 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])c(=O)n(C)c1=O ZINC000740281529 602760765 /nfs/dbraw/zinc/76/07/65/602760765.db2.gz SAKMQKCMGCUZCN-PSASIEDQSA-N -1 0 324.337 -0.750 20 0 DBADRM Cn1cc(C(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])c(=O)n(C)c1=O ZINC000740281532 602760770 /nfs/dbraw/zinc/76/07/70/602760770.db2.gz SAKMQKCMGCUZCN-WPRPVWTQSA-N -1 0 324.337 -0.750 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000739838271 602761987 /nfs/dbraw/zinc/76/19/87/602761987.db2.gz PBEYLRMQWYQMBS-VHSXEESVSA-N -1 0 322.383 -0.400 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)CN1CCCS1(=O)=O ZINC000740620071 602762777 /nfs/dbraw/zinc/76/27/77/602762777.db2.gz GNJZHRPMNQZBAR-UWVGGRQHSA-N -1 0 319.383 -0.426 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000827476148 602777385 /nfs/dbraw/zinc/77/73/85/602777385.db2.gz UMWHPKHDIIBEIR-SECBINFHSA-N -1 0 307.372 -0.474 20 0 DBADRM CCN(CCNC(=O)C(=O)Nc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000739418998 602771472 /nfs/dbraw/zinc/77/14/72/602771472.db2.gz HNIRNQDVBSCBKG-UHFFFAOYSA-N -1 0 322.321 -0.160 20 0 DBADRM CC(C)[C@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)NC(=O)[O-] ZINC000738775148 602774644 /nfs/dbraw/zinc/77/46/44/602774644.db2.gz DDQUZCQXXAQCPH-SFYZADRCSA-N -1 0 300.315 -0.617 20 0 DBADRM CC(C)[C@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)NC(=O)[O-] ZINC000738775149 602774832 /nfs/dbraw/zinc/77/48/32/602774832.db2.gz DDQUZCQXXAQCPH-YUMQZZPRSA-N -1 0 300.315 -0.617 20 0 DBADRM CN1C(=O)N[C@]2(CCN(C(=O)C[C@H]3CCCN3C(=O)[O-])C2)C1=O ZINC000828446328 602795154 /nfs/dbraw/zinc/79/51/54/602795154.db2.gz VMTKRLBOPJHTQE-OTYXRUKQSA-N -1 0 324.337 -0.328 20 0 DBADRM COc1ccc(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)nn1 ZINC000739885095 602796095 /nfs/dbraw/zinc/79/60/95/602796095.db2.gz KTNIISZGQRNOEM-UHFFFAOYSA-N -1 0 323.309 -0.963 20 0 DBADRM C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H](C)N1C(=O)[O-] ZINC000739129132 602804853 /nfs/dbraw/zinc/80/48/53/602804853.db2.gz LRCPIYNMEPWMMC-HRDYMLBCSA-N -1 0 312.326 -0.426 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCCN1C(=O)CNC1=O)NC(=O)[O-] ZINC000738780288 602805240 /nfs/dbraw/zinc/80/52/40/602805240.db2.gz DMBWAMBHRVOELV-MRVPVSSYSA-N -1 0 315.330 -0.870 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000738014535 602813079 /nfs/dbraw/zinc/81/30/79/602813079.db2.gz MXHJRUYHBAMMLK-QMMMGPOBSA-N -1 0 310.314 -0.647 20 0 DBADRM CCN(CC(=O)OCC(=O)N1CCN(C(C)=O)CC1)C(=O)[O-] ZINC000739397729 602815163 /nfs/dbraw/zinc/81/51/63/602815163.db2.gz CHHUMYMCGFLBKT-UHFFFAOYSA-N -1 0 315.326 -0.780 20 0 DBADRM CCN(CC(=O)OCC(=O)N1CCCC[C@H]1C(N)=O)C(=O)[O-] ZINC000739397716 602817048 /nfs/dbraw/zinc/81/70/48/602817048.db2.gz CDPZXXBVLIJORD-VIFPVBQESA-N -1 0 315.326 -0.604 20 0 DBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])NCCN1CCOCC1 ZINC000740365075 602823222 /nfs/dbraw/zinc/82/32/22/602823222.db2.gz NZCROTPOAARKDX-LBPRGKRZSA-N -1 0 315.370 -0.406 20 0 DBADRM CC(C)[C@@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000738789085 602827178 /nfs/dbraw/zinc/82/71/78/602827178.db2.gz QQSDPQYONFMUOD-DTWKUNHWSA-N -1 0 307.372 -0.235 20 0 DBADRM CCN(CC)C(=O)CN(C)C(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739404486 602828748 /nfs/dbraw/zinc/82/87/48/602828748.db2.gz XMRYPHFCWUOLKT-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739762357 602830042 /nfs/dbraw/zinc/83/00/42/602830042.db2.gz OKAIDBIWCWOZQK-KXUCPTDWSA-N -1 0 301.343 -0.263 20 0 DBADRM COCCN(CC(=O)N[C@@H]1CC(=O)N(C(C)C)C1)C(=O)[O-] ZINC000739820524 602831100 /nfs/dbraw/zinc/83/11/00/602831100.db2.gz YVXRXJNLUQUAKN-SNVBAGLBSA-N -1 0 301.343 -0.262 20 0 DBADRM Cn1cc(CN2CCCN(C(=O)NCCNC(=O)[O-])CC2)cn1 ZINC000740285722 602832929 /nfs/dbraw/zinc/83/29/29/602832929.db2.gz FMWUULNUOIVUDU-UHFFFAOYSA-N -1 0 324.385 -0.095 20 0 DBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739663432 602834101 /nfs/dbraw/zinc/83/41/01/602834101.db2.gz KZQBTGCIBSYLHO-VHSXEESVSA-N -1 0 319.383 -0.185 20 0 DBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739663430 602834343 /nfs/dbraw/zinc/83/43/43/602834343.db2.gz KZQBTGCIBSYLHO-NXEZZACHSA-N -1 0 319.383 -0.185 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCNC(=O)c1ccccc1 ZINC000740441920 602836700 /nfs/dbraw/zinc/83/67/00/602836700.db2.gz RIEXIEDQIISEKW-GFCCVEGCSA-N -1 0 321.333 -0.089 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000740459471 602839569 /nfs/dbraw/zinc/83/95/69/602839569.db2.gz LFZWUSAXWQIYBA-JTQLQIEISA-N -1 0 318.293 -0.020 20 0 DBADRM Cc1nn(C)cc1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740251229 602842211 /nfs/dbraw/zinc/84/22/11/602842211.db2.gz FZGCWDWUHAGGAV-UHFFFAOYSA-N -1 0 309.326 -0.719 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000740292848 602843980 /nfs/dbraw/zinc/84/39/80/602843980.db2.gz AJRUNXPNKOFUAL-MNOVXSKESA-N -1 0 323.353 -0.100 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CCO1 ZINC000828639859 602845499 /nfs/dbraw/zinc/84/54/99/602845499.db2.gz IJLGYQNYBVVGBB-VHSXEESVSA-N -1 0 300.311 -0.081 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)NCCN1C(=O)CNC1=O ZINC000739235616 602850667 /nfs/dbraw/zinc/85/06/67/602850667.db2.gz JAPDOIUCLBJNOJ-VXNVDRBHSA-N -1 0 300.315 -0.663 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000740673015 602851652 /nfs/dbraw/zinc/85/16/52/602851652.db2.gz BRDHKIBRJGFUFB-UHFFFAOYSA-N -1 0 320.305 -0.264 20 0 DBADRM C[C@H]([C@H](C)N(C)C(=O)COCCNC(=O)[O-])S(C)(=O)=O ZINC000738649137 602853211 /nfs/dbraw/zinc/85/32/11/602853211.db2.gz AFSHMMYZOBEJJC-DTWKUNHWSA-N -1 0 310.372 -0.449 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCC(=O)NCC(F)(F)F ZINC000740377978 602854068 /nfs/dbraw/zinc/85/40/68/602854068.db2.gz MLSMYNWFDMTBSG-ZCFIWIBFSA-N -1 0 313.232 -0.840 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 ZINC000739316055 602854438 /nfs/dbraw/zinc/85/44/38/602854438.db2.gz UGKCCYXXAQPKLJ-UWVGGRQHSA-N -1 0 321.399 -0.037 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCc1nnc2n1CCC2 ZINC000740446879 602855469 /nfs/dbraw/zinc/85/54/69/602855469.db2.gz MTWXOKFIHQWFOR-SECBINFHSA-N -1 0 309.326 -0.738 20 0 DBADRM CCCN(C(=O)c1cn(CC(N)=O)nn1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826886831 602858833 /nfs/dbraw/zinc/85/88/33/602858833.db2.gz AOIRKYCPCBGWMQ-SECBINFHSA-N -1 0 324.341 -0.632 20 0 DBADRM COC[C@@]1(C)NC(=O)N(CN2CCN(C(=O)[O-])CC2)C1=O ZINC000737753582 602859107 /nfs/dbraw/zinc/85/91/07/602859107.db2.gz NXGUECOXFUONIN-GFCCVEGCSA-N -1 0 300.315 -0.804 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CCC[C@H](NC(=O)[O-])C2)C1=O ZINC000738060913 602859123 /nfs/dbraw/zinc/85/91/23/602859123.db2.gz WJIDVRDYBGTTKD-ZANVPECISA-N -1 0 314.342 -0.367 20 0 DBADRM CC(=O)NCC1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000738552432 602860574 /nfs/dbraw/zinc/86/05/74/602860574.db2.gz RSQIDZYHJGOTIR-LBPRGKRZSA-N -1 0 313.354 -0.260 20 0 DBADRM CC[C@H](C)CS(=O)(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739238901 602862481 /nfs/dbraw/zinc/86/24/81/602862481.db2.gz RLZKHVVZRHFSGX-JTQLQIEISA-N -1 0 321.399 -0.226 20 0 DBADRM COC(=O)Cc1ccc(S(=O)(=O)NCCNC(=O)[O-])cc1 ZINC000739768511 602864980 /nfs/dbraw/zinc/86/49/80/602864980.db2.gz PXMHAYONJMHPNC-UHFFFAOYSA-N -1 0 316.335 -0.052 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739036206 602868197 /nfs/dbraw/zinc/86/81/97/602868197.db2.gz AONDOEMBTKHLOA-VGMNWLOBSA-N -1 0 307.372 -0.571 20 0 DBADRM COCCN(C)S(=O)(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000739813317 602871086 /nfs/dbraw/zinc/87/10/86/602871086.db2.gz NVZNOPIJJFMCMA-NXEZZACHSA-N -1 0 309.388 -0.118 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCC(=O)Nc1ccncc1 ZINC000740356155 602876027 /nfs/dbraw/zinc/87/60/27/602876027.db2.gz DWXWSBZAZVLEES-LLVKDONJSA-N -1 0 322.321 -0.673 20 0 DBADRM CC1(C)CN(CCNC(=O)[C@@H]2COCCN2C(=O)[O-])CCO1 ZINC000739063913 602876719 /nfs/dbraw/zinc/87/67/19/602876719.db2.gz NTQAQQDKUTZKIM-NSHDSACASA-N -1 0 315.370 -0.408 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000738758441 602878054 /nfs/dbraw/zinc/87/80/54/602878054.db2.gz UQYKCIAQACKRTL-SECBINFHSA-N -1 0 321.399 -0.180 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738758076 602878078 /nfs/dbraw/zinc/87/80/78/602878078.db2.gz QVHOIQFIDTYGNB-QMMMGPOBSA-N -1 0 307.372 -0.570 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCC(C2OCCO2)CC1 ZINC000740344708 602880589 /nfs/dbraw/zinc/88/05/89/602880589.db2.gz INPJCTUMUGSAKJ-NSHDSACASA-N -1 0 314.338 -0.023 20 0 DBADRM CC(=O)NC1CCC(NC(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000738536300 602880739 /nfs/dbraw/zinc/88/07/39/602880739.db2.gz CAHQTBFVJOZCHR-MCIGGMRASA-N -1 0 313.354 -0.071 20 0 DBADRM COC(=O)N1CCC[C@H](NC(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000739775405 602881434 /nfs/dbraw/zinc/88/14/34/602881434.db2.gz IPRQCWWOFZPBCE-UWVGGRQHSA-N -1 0 315.326 -0.288 20 0 DBADRM NC(=O)c1cccc(CCNC(=O)[C@H]2COCCN2C(=O)[O-])c1 ZINC000740337619 602881814 /nfs/dbraw/zinc/88/18/14/602881814.db2.gz SCRRWIYLXTZLIC-GFCCVEGCSA-N -1 0 321.333 -0.177 20 0 DBADRM Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])CC2 ZINC000740233363 602883446 /nfs/dbraw/zinc/88/34/46/602883446.db2.gz RLDNQRHMINTFJK-ZJUUUORDSA-N -1 0 309.326 -0.604 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)[C@H]2COCCN2C(=O)[O-])n1 ZINC000739767834 602883968 /nfs/dbraw/zinc/88/39/68/602883968.db2.gz ALKVZCKUZYLOST-MRVPVSSYSA-N -1 0 312.282 -0.627 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CCS1(=O)=O ZINC000739136198 602884163 /nfs/dbraw/zinc/88/41/63/602884163.db2.gz QKBRSACSXFEBLV-RKDXNWHRSA-N -1 0 305.356 -0.433 20 0 DBADRM CC1(C)C(=O)NCCN1C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739066707 602885187 /nfs/dbraw/zinc/88/51/87/602885187.db2.gz NDFWKCMWTUTXHF-SNVBAGLBSA-N -1 0 313.354 -0.118 20 0 DBADRM CN(CCS(C)(=O)=O)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739705303 602885972 /nfs/dbraw/zinc/88/59/72/602885972.db2.gz QVIIXQOENHGWKU-SNVBAGLBSA-N -1 0 322.383 -0.352 20 0 DBADRM CC(C)[C@H](OC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)NC(N)=O ZINC000738797397 602887399 /nfs/dbraw/zinc/88/73/99/602887399.db2.gz NMZBTKREIRBIQV-SFYZADRCSA-N -1 0 301.299 -0.251 20 0 DBADRM N=C1NC(=O)C(CC(=O)NC[C@H]2CCCN2C(=O)[O-])S1 ZINC000831240062 602887992 /nfs/dbraw/zinc/88/79/92/602887992.db2.gz LXQGDMCFFOSJPK-RQJHMYQMSA-N -1 0 300.340 -0.199 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739187611 602888380 /nfs/dbraw/zinc/88/83/80/602888380.db2.gz HLTCMVTZOWQSRM-MNOVXSKESA-N -1 0 301.343 -0.798 20 0 DBADRM CCN1C(=S)N=NC1CNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739562789 602888437 /nfs/dbraw/zinc/88/84/37/602888437.db2.gz FCGNAHXVFZXNFI-SSDOTTSWSA-N -1 0 315.355 -0.418 20 0 DBADRM CC(=O)N1CCC(CNC(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000738511619 602889922 /nfs/dbraw/zinc/88/99/22/602889922.db2.gz FCFYCTHYKFGMOQ-GFCCVEGCSA-N -1 0 313.354 -0.260 20 0 DBADRM COC(=O)CSCCNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739763770 602892226 /nfs/dbraw/zinc/89/22/26/602892226.db2.gz IBELEBQBWBHUCZ-QMMMGPOBSA-N -1 0 306.340 -0.612 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCCN1C(=O)CCC1=O ZINC000740430556 602892502 /nfs/dbraw/zinc/89/25/02/602892502.db2.gz NEGMVAPDMYWFJQ-SECBINFHSA-N -1 0 313.310 -0.980 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCCN1CCCCC1=O ZINC000740433299 602893487 /nfs/dbraw/zinc/89/34/87/602893487.db2.gz MUCKLFRKALTVGF-NSHDSACASA-N -1 0 313.354 -0.116 20 0 DBADRM CCCNC(=O)NC(=O)COC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739363675 602893774 /nfs/dbraw/zinc/89/37/74/602893774.db2.gz VVBKZHJNAMEVDL-QMMMGPOBSA-N -1 0 301.299 -0.235 20 0 DBADRM Cn1c(=O)cc(COC(=O)[C@H]2CCN(C(=O)[O-])C2)n(C)c1=O ZINC000740281368 602894439 /nfs/dbraw/zinc/89/44/39/602894439.db2.gz GXLBDRXJDWMISZ-QMMMGPOBSA-N -1 0 311.294 -0.873 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739761658 602898119 /nfs/dbraw/zinc/89/81/19/602898119.db2.gz MBCJDJYXLHVDBU-SFYZADRCSA-N -1 0 302.283 -0.793 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCCNC(=O)[O-])C1 ZINC000739749111 602900760 /nfs/dbraw/zinc/90/07/60/602900760.db2.gz GWVOZINLFYOVCL-VIFPVBQESA-N -1 0 322.387 -0.633 20 0 DBADRM C[C@H]1CN(C(=O)COC(=O)[C@@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739134082 602900862 /nfs/dbraw/zinc/90/08/62/602900862.db2.gz MEFFSNSMCZGQBQ-VHSXEESVSA-N -1 0 300.311 -0.223 20 0 DBADRM C[C@H](CC(=O)NC1CCN(CC(=O)N(C)C)CC1)NC(=O)[O-] ZINC000824622815 602901770 /nfs/dbraw/zinc/90/17/70/602901770.db2.gz PVNHREQKYNMTMH-SNVBAGLBSA-N -1 0 314.386 -0.299 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739518361 602906986 /nfs/dbraw/zinc/90/69/86/602906986.db2.gz YOWVDRJWCIZZFF-IUCAKERBSA-N -1 0 308.356 -0.695 20 0 DBADRM O=C([O-])N1CCN(CCCNC(=O)NCC2(O)CCC2)CC1 ZINC000740433693 602907988 /nfs/dbraw/zinc/90/79/88/602907988.db2.gz QLPJUWABWZWQAU-UHFFFAOYSA-N -1 0 314.386 -0.114 20 0 DBADRM C[C@@H](NC(=O)NCCN1CCN(C(=O)[O-])CC1)C(C)(C)O ZINC000738985269 602908512 /nfs/dbraw/zinc/90/85/12/602908512.db2.gz XONBBWWCPQTSMT-SNVBAGLBSA-N -1 0 302.375 -0.259 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)c1cn(CC(N)=O)nn1 ZINC000824204241 602909673 /nfs/dbraw/zinc/90/96/73/602909673.db2.gz PMLCQDGFOTWHRB-MRVPVSSYSA-N -1 0 312.330 -0.825 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000740348759 602914870 /nfs/dbraw/zinc/91/48/70/602914870.db2.gz LZASKRHCAPSKMB-NWDGAFQWSA-N -1 0 323.353 -0.105 20 0 DBADRM C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739120913 602916868 /nfs/dbraw/zinc/91/68/68/602916868.db2.gz LKKKDFIPXFBRCZ-BDAKNGLRSA-N -1 0 321.399 -0.181 20 0 DBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000739157220 602917010 /nfs/dbraw/zinc/91/70/10/602917010.db2.gz WRSOWSSQAKTCCV-ZJUUUORDSA-N -1 0 308.342 -0.013 20 0 DBADRM O=C([O-])N1CCC(C(=O)OCCCN2C(=O)CNC2=O)CC1 ZINC000738712009 602917175 /nfs/dbraw/zinc/91/71/75/602917175.db2.gz GAEHYWVHZHGPDF-UHFFFAOYSA-N -1 0 313.310 -0.139 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)C[C@H]2CCCN2C(=O)[O-])C1 ZINC000831244610 602919467 /nfs/dbraw/zinc/91/94/67/602919467.db2.gz AONFFVLGXKRJFK-BDAKNGLRSA-N -1 0 305.356 -0.592 20 0 DBADRM NS(=O)(=O)[C@H]1CCN(C(=O)CN(CC2CC2)C(=O)[O-])C1 ZINC000831244658 602919529 /nfs/dbraw/zinc/91/95/29/602919529.db2.gz BSSNKAYWNVDYIU-VIFPVBQESA-N -1 0 305.356 -0.734 20 0 DBADRM O=C([O-])NCc1ccc(C(=O)NCCN2C(=O)CNC2=O)o1 ZINC000832697820 602932181 /nfs/dbraw/zinc/93/21/81/602932181.db2.gz OEXYGUHVIBBGRH-UHFFFAOYSA-N -1 0 310.266 -0.671 20 0 DBADRM CC(C)[C@@H](O)CNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000738798675 602933099 /nfs/dbraw/zinc/93/30/99/602933099.db2.gz VZMKNPZSFZTUMG-LBPRGKRZSA-N -1 0 316.402 -0.012 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)COCCNC(=O)[O-])C[C@@H](C)O1 ZINC000739138943 602933234 /nfs/dbraw/zinc/93/32/34/602933234.db2.gz YSIIURAIJWDHFD-NXEZZACHSA-N -1 0 318.326 -0.550 20 0 DBADRM C[C@@H](CNC(=O)NCCN1CCN(C(=O)[O-])CC1)C[C@H](C)O ZINC000739037197 602935709 /nfs/dbraw/zinc/93/57/09/602935709.db2.gz LQLCTURYRAAPJI-NEPJUHHUSA-N -1 0 316.402 -0.012 20 0 DBADRM COCCn1nc(C(=O)N2CCN(C(=O)[O-])[C@H](C)C2)ccc1=O ZINC000739843229 602947298 /nfs/dbraw/zinc/94/72/98/602947298.db2.gz QMGDUKVYXBESHQ-SNVBAGLBSA-N -1 0 324.337 -0.286 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000740574021 602949242 /nfs/dbraw/zinc/94/92/42/602949242.db2.gz JMIDUGVLZUGZGV-LPEHRKFASA-N -1 0 304.368 -0.026 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)CC(C)(C)NC(=O)[O-])CC1 ZINC000739739174 602952934 /nfs/dbraw/zinc/95/29/34/602952934.db2.gz IMIMJSDKHSTPOX-UHFFFAOYSA-N -1 0 314.386 -0.251 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@@H](CNC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740280589 602954722 /nfs/dbraw/zinc/95/47/22/602954722.db2.gz MIUKHMDEKYIIHJ-VIFPVBQESA-N -1 0 324.337 -0.796 20 0 DBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000739996458 602968306 /nfs/dbraw/zinc/96/83/06/602968306.db2.gz RSIVSNBJBIWZFV-IUCAKERBSA-N -1 0 320.371 -0.928 20 0 DBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NCCNC(=O)[O-])c1 ZINC000738861671 602975165 /nfs/dbraw/zinc/97/51/65/602975165.db2.gz HFRUMQDIYQCUHY-UHFFFAOYSA-N -1 0 318.355 -0.301 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000739995632 602977846 /nfs/dbraw/zinc/97/78/46/602977846.db2.gz PBIDFTBRIIBADF-IUCAKERBSA-N -1 0 307.372 -0.522 20 0 DBADRM O=C([O-])N1CC[C@H](CN2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000740393141 602978812 /nfs/dbraw/zinc/97/88/12/602978812.db2.gz SSDZODYUIFJFTO-LLVKDONJSA-N -1 0 324.381 -0.591 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000738951828 602980183 /nfs/dbraw/zinc/98/01/83/602980183.db2.gz QBXCXKVFONCVEH-RKDXNWHRSA-N -1 0 307.372 -0.187 20 0 DBADRM C[C@](CNC(=O)[O-])(NC(=O)CN1CCC(=O)NC1=O)C1CC1 ZINC000738924896 602983059 /nfs/dbraw/zinc/98/30/59/602983059.db2.gz KMVMAUIPKMVSAB-CYBMUJFWSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)OC[C@@H]1CCCCO1 ZINC000740370995 602983922 /nfs/dbraw/zinc/98/39/22/602983922.db2.gz IKIKVHJPMMDTHV-JTQLQIEISA-N -1 0 300.311 -0.079 20 0 DBADRM CC[C@H]1CO[C@H](C)CN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739280809 602984826 /nfs/dbraw/zinc/98/48/26/602984826.db2.gz TWIXGRWOXUXWCK-MNOVXSKESA-N -1 0 313.354 -0.166 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])C[C@@H]1C ZINC000739044899 602985218 /nfs/dbraw/zinc/98/52/18/602985218.db2.gz IPUSAMVRTFEPKG-DCAQKATOSA-N -1 0 317.411 -0.047 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C[C@@H]1C ZINC000739045562 602986678 /nfs/dbraw/zinc/98/66/78/602986678.db2.gz LIGHMDQPWPCIRT-SRVKXCTJSA-N -1 0 315.370 -0.721 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000739996371 602991589 /nfs/dbraw/zinc/99/15/89/602991589.db2.gz PJIQFBWLRRHRPR-VHSXEESVSA-N -1 0 321.399 -0.132 20 0 DBADRM COC(=O)CN(C(=O)CN1CCN(C(=O)[O-])CC1=O)C(C)C ZINC000739761680 602992008 /nfs/dbraw/zinc/99/20/08/602992008.db2.gz PPGXCJILKWGHMR-UHFFFAOYSA-N -1 0 315.326 -0.781 20 0 DBADRM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000740637662 602992413 /nfs/dbraw/zinc/99/24/13/602992413.db2.gz ZUMUHRUFHSHFJW-UWVGGRQHSA-N -1 0 324.337 -0.109 20 0 DBADRM COC(=O)CCCN(C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739765197 602993410 /nfs/dbraw/zinc/99/34/10/602993410.db2.gz YPZJEIXNKZNXQF-UHFFFAOYSA-N -1 0 315.326 -0.780 20 0 DBADRM C[C@@H]1CN(C(=O)CC2SC(=N)NC2=O)CCN1C(=O)[O-] ZINC000825984273 602995819 /nfs/dbraw/zinc/99/58/19/602995819.db2.gz WMPZTODJCQHOHR-RNFRBKRXSA-N -1 0 300.340 -0.246 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CCc2nccn2C1 ZINC000740369013 602999925 /nfs/dbraw/zinc/99/99/25/602999925.db2.gz JVEWELXNGAEFAA-SNVBAGLBSA-N -1 0 321.337 -0.864 20 0 DBADRM Cc1cnc(COC(=O)CN2CCN(C(=O)[O-])CC2=O)cn1 ZINC000740195668 603001631 /nfs/dbraw/zinc/00/16/31/603001631.db2.gz GQKUVFOVQKELBB-UHFFFAOYSA-N -1 0 308.294 -0.350 20 0 DBADRM CCc1cc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)on1 ZINC000739536873 603010668 /nfs/dbraw/zinc/01/06/68/603010668.db2.gz VGBUZQSGWHTXKQ-UHFFFAOYSA-N -1 0 310.310 -0.325 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000739621990 603013349 /nfs/dbraw/zinc/01/33/49/603013349.db2.gz RETZECZCTWMPEC-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)[O-])CCO1 ZINC000738550498 603013938 /nfs/dbraw/zinc/01/39/38/603013938.db2.gz KSYJNCYFDHCYHG-ZJUUUORDSA-N -1 0 317.367 -0.597 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000737546451 603013974 /nfs/dbraw/zinc/01/39/74/603013974.db2.gz HQLZULSRFNSQCN-NEPJUHHUSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)C2CCN(C(=O)[O-])CC2)CCO1 ZINC000737545264 603014138 /nfs/dbraw/zinc/01/41/38/603014138.db2.gz BBPZOEQQTDIOBR-LBPRGKRZSA-N -1 0 313.354 -0.260 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000737546459 603014182 /nfs/dbraw/zinc/01/41/82/603014182.db2.gz HQLZULSRFNSQCN-VXGBXAGGSA-N -1 0 313.354 -0.260 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000740561526 603017070 /nfs/dbraw/zinc/01/70/70/603017070.db2.gz CWSWUKWQURTVQD-RKDXNWHRSA-N -1 0 324.337 -0.377 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)CC(C)(C)NC(=O)[O-])CC1 ZINC000739462525 603017591 /nfs/dbraw/zinc/01/75/91/603017591.db2.gz OJVHWDGNOQLGHZ-UHFFFAOYSA-N -1 0 314.386 -0.297 20 0 DBADRM O=C([O-])N1CCN(CC(=O)N2CCN(C3CC3)CC2)C(=O)C1 ZINC000740526483 603021651 /nfs/dbraw/zinc/02/16/51/603021651.db2.gz JPGISHLZDJBZQS-UHFFFAOYSA-N -1 0 310.354 -0.885 20 0 DBADRM COCC(=O)N[C@H](C(=O)N1CC[C@H](CNC(=O)[O-])C1)C(C)C ZINC000739805696 603023426 /nfs/dbraw/zinc/02/34/26/603023426.db2.gz QFCGLLDNLDYGLE-PWSUYJOCSA-N -1 0 315.370 -0.110 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)[O-])CC1 ZINC000739806405 603025492 /nfs/dbraw/zinc/02/54/92/603025492.db2.gz SIAZRSRLXHGHDO-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)C[C@@H]1CCOC1 ZINC000739619561 603027469 /nfs/dbraw/zinc/02/74/69/603027469.db2.gz APCOQWOKWCQHMS-NSHDSACASA-N -1 0 313.354 -0.306 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000739312989 603027690 /nfs/dbraw/zinc/02/76/90/603027690.db2.gz QOBUKJUARTUUDW-QWRGUYRKSA-N -1 0 311.342 -0.058 20 0 DBADRM CC[C@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C[C@H](C)O1 ZINC000739263689 603028395 /nfs/dbraw/zinc/02/83/95/603028395.db2.gz DRPPSLPKHNUXHO-QWRGUYRKSA-N -1 0 313.354 -0.166 20 0 DBADRM CC[C@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C[C@@H](C)O1 ZINC000739263686 603028670 /nfs/dbraw/zinc/02/86/70/603028670.db2.gz DRPPSLPKHNUXHO-MNOVXSKESA-N -1 0 313.354 -0.166 20 0 DBADRM CC(C)(CC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)NC(=O)[O-] ZINC000738732499 603029497 /nfs/dbraw/zinc/02/94/97/603029497.db2.gz MFTLNRAZMDBCIL-VIFPVBQESA-N -1 0 321.399 -0.037 20 0 DBADRM CSC[C@](C)(O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740001692 603031959 /nfs/dbraw/zinc/03/19/59/603031959.db2.gz YURJTJLGGVUZLF-GFCCVEGCSA-N -1 0 319.383 -0.961 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)[O-])CCO1 ZINC000739472938 603033373 /nfs/dbraw/zinc/03/33/73/603033373.db2.gz HMPNXJPPKBHGQI-ZJUUUORDSA-N -1 0 300.311 -0.081 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CCO1 ZINC000739476309 603033491 /nfs/dbraw/zinc/03/34/91/603033491.db2.gz QJTRKMNKZAXQAP-VHSXEESVSA-N -1 0 300.311 -0.223 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)CNC(=O)c1ccccn1)C1CC1 ZINC000740599892 603034353 /nfs/dbraw/zinc/03/43/53/603034353.db2.gz HASRDZGXYKGZEU-NSHDSACASA-N -1 0 306.322 -0.026 20 0 DBADRM O=C([O-])N[C@@H]1CCCN(C(=O)NCCN2C(=O)CCC2=O)C1 ZINC000738650000 603037056 /nfs/dbraw/zinc/03/70/56/603037056.db2.gz GRVARGJYKQJVSQ-SECBINFHSA-N -1 0 312.326 -0.423 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC000740643847 603038809 /nfs/dbraw/zinc/03/88/09/603038809.db2.gz YRGABGRAOVRYNB-JTQLQIEISA-N -1 0 306.322 -0.073 20 0 DBADRM NC(=O)CN1CCCN(C(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])CC1 ZINC000740334218 603042094 /nfs/dbraw/zinc/04/20/94/603042094.db2.gz LORIXZGMNLHCFD-GHMZBOCLSA-N -1 0 312.370 -0.558 20 0 DBADRM O=C([O-])N1CC[C@H](NC(=O)N2CCO[C@H](Cn3cncn3)C2)C1 ZINC000740506378 603048829 /nfs/dbraw/zinc/04/88/29/603048829.db2.gz YGXDYVKRMVMNGW-QWRGUYRKSA-N -1 0 324.341 -0.559 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)CC(C)(C)NC(=O)[O-])CC1 ZINC000739750711 603049275 /nfs/dbraw/zinc/04/92/75/603049275.db2.gz PHIPZLZNLCJRGE-UHFFFAOYSA-N -1 0 321.399 -0.037 20 0 DBADRM COCCn1nc(C(=O)N[C@H](CNC(=O)[O-])C2CC2)ccc1=O ZINC000739842437 603057777 /nfs/dbraw/zinc/05/77/77/603057777.db2.gz JFPWGSMLSQGUQU-LLVKDONJSA-N -1 0 324.337 -0.334 20 0 DBADRM CCOC(=O)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739477392 603059735 /nfs/dbraw/zinc/05/97/35/603059735.db2.gz OXFQZYXHQFCDFD-ZJUUUORDSA-N -1 0 315.326 -0.600 20 0 DBADRM CC(C)(CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])N1CCOCC1 ZINC000738746647 603061672 /nfs/dbraw/zinc/06/16/72/603061672.db2.gz KKQJZMKTHVWNFG-MNOVXSKESA-N -1 0 315.370 -0.673 20 0 DBADRM CCS(=O)(=O)CCN(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739518013 603063150 /nfs/dbraw/zinc/06/31/50/603063150.db2.gz WTLFGJSMVXZAEW-UHFFFAOYSA-N -1 0 321.399 -0.825 20 0 DBADRM CC(=O)N1CCN(CCC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000738521773 603064691 /nfs/dbraw/zinc/06/46/91/603064691.db2.gz AKFWBJCYQSUKHN-UHFFFAOYSA-N -1 0 312.370 -0.637 20 0 DBADRM NC(=O)COc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000740332450 603066788 /nfs/dbraw/zinc/06/67/88/603066788.db2.gz VZWIIVOAGIFMIE-MWLCHTKSSA-N -1 0 323.305 -0.398 20 0 DBADRM NC(=O)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])ccc1F ZINC000740334532 603067938 /nfs/dbraw/zinc/06/79/38/603067938.db2.gz UKAYCMNFVUTIIR-XCBNKYQSSA-N -1 0 311.269 -0.024 20 0 DBADRM CN(C)c1ncccc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739619940 603069558 /nfs/dbraw/zinc/06/95/58/603069558.db2.gz ZMAJURLATMPQLG-MNOVXSKESA-N -1 0 308.338 -0.123 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCNC(=O)c1cccnc1 ZINC000740438310 603070140 /nfs/dbraw/zinc/07/01/40/603070140.db2.gz CQEVDRVNIVXWMA-GHMZBOCLSA-N -1 0 322.321 -0.959 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N[C@@H](CNC(=O)[O-])C2CC2)C[C@@H](C)O1 ZINC000739186755 603070265 /nfs/dbraw/zinc/07/02/65/603070265.db2.gz CFZJSOATNXGNNU-KKZNHRDASA-N -1 0 321.399 -0.024 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)NCc1ccco1 ZINC000740376555 603071206 /nfs/dbraw/zinc/07/12/06/603071206.db2.gz GLLJGIRSJIYJBZ-WCBMZHEXSA-N -1 0 311.294 -0.875 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCC(=O)NCc1ccco1 ZINC000740376551 603071394 /nfs/dbraw/zinc/07/13/94/603071394.db2.gz GLLJGIRSJIYJBZ-PSASIEDQSA-N -1 0 311.294 -0.875 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCC(=O)N1CCCCC1 ZINC000740420191 603071517 /nfs/dbraw/zinc/07/15/17/603071517.db2.gz YFJMRXFFUBENQQ-WDEREUQCSA-N -1 0 313.354 -0.382 20 0 DBADRM Cc1cc(N2CC[C@@H](NC(=O)C[C@@H](C)NC(=O)[O-])C2=O)n(C)n1 ZINC000830073182 603071856 /nfs/dbraw/zinc/07/18/56/603071856.db2.gz OJCFRCKYQXOOTL-PSASIEDQSA-N -1 0 323.353 -0.004 20 0 DBADRM CN(Cc1cccc(C(N)=O)c1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739717475 603072098 /nfs/dbraw/zinc/07/20/98/603072098.db2.gz XFKWLAWKEZTYRB-RYUDHWBXSA-N -1 0 321.333 -0.143 20 0 DBADRM CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000738715279 603074747 /nfs/dbraw/zinc/07/47/47/603074747.db2.gz SRRFDDLINOREFK-BDAKNGLRSA-N -1 0 317.342 -0.260 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(CC(F)F)CC1 ZINC000740342029 603075429 /nfs/dbraw/zinc/07/54/29/603075429.db2.gz QCQOTGSMLUTHIZ-DTWKUNHWSA-N -1 0 307.297 -0.491 20 0 DBADRM CN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739634086 603077030 /nfs/dbraw/zinc/07/70/30/603077030.db2.gz GFVQUFFZPWZCQB-IUCAKERBSA-N -1 0 302.327 -0.100 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000740609591 603077397 /nfs/dbraw/zinc/07/73/97/603077397.db2.gz JCUWGHFEDBMJII-WPRPVWTQSA-N -1 0 319.383 -0.234 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCc1cn2c(n1)CCCC2 ZINC000740452155 603077789 /nfs/dbraw/zinc/07/77/89/603077789.db2.gz SSPPUWXVFQCHOC-MNOVXSKESA-N -1 0 308.338 -0.051 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CCN(C(=O)[O-])C[C@@H]2C)n1 ZINC000739781954 603080886 /nfs/dbraw/zinc/08/08/86/603080886.db2.gz YCRCAQSKAXWWJJ-VIFPVBQESA-N -1 0 310.310 -0.329 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)NCCCNC(=O)[O-])CCO1 ZINC000739478555 603082529 /nfs/dbraw/zinc/08/25/29/603082529.db2.gz XWIQEIHLLUZMHQ-SECBINFHSA-N -1 0 303.315 -0.382 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000739517495 603084653 /nfs/dbraw/zinc/08/46/53/603084653.db2.gz XNGUNIHOYSRQCA-SECBINFHSA-N -1 0 322.387 -0.729 20 0 DBADRM CCN(CCNS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC000739434907 603085710 /nfs/dbraw/zinc/08/57/10/603085710.db2.gz WXHZRXCVESFBRS-UHFFFAOYSA-N -1 0 309.388 -0.069 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NC1CCC2(CC1)OCCO2 ZINC000740393994 603089545 /nfs/dbraw/zinc/08/95/45/603089545.db2.gz ZUKSTHSJUNBEEL-MNOVXSKESA-N -1 0 314.338 -0.099 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NC1CCC2(CC1)OCCO2 ZINC000740393996 603089625 /nfs/dbraw/zinc/08/96/25/603089625.db2.gz ZUKSTHSJUNBEEL-WDEREUQCSA-N -1 0 314.338 -0.099 20 0 DBADRM C[S@](=O)CCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000740007392 603095711 /nfs/dbraw/zinc/09/57/11/603095711.db2.gz VKIRFSINYPRMOB-FQEVSTJZSA-N -1 0 305.400 -0.445 20 0 DBADRM C[C@@H](CCNC(=O)N1CCS(=O)(=O)C[C@@H]1C)NC(=O)[O-] ZINC000738906066 603097388 /nfs/dbraw/zinc/09/73/88/603097388.db2.gz OBJKHHVNMXLOMH-IUCAKERBSA-N -1 0 307.372 -0.139 20 0 DBADRM Cc1nnc(CN(C)CC(=O)NC(C)(C)CNC(=O)[O-])n1C ZINC000740260502 603094597 /nfs/dbraw/zinc/09/45/97/603094597.db2.gz XZNVUZMOGCSKDD-UHFFFAOYSA-N -1 0 312.374 -0.282 20 0 DBADRM CCn1cc(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000739562859 603094699 /nfs/dbraw/zinc/09/46/99/603094699.db2.gz GVHFBMBNJCCHIL-UHFFFAOYSA-N -1 0 309.326 -0.545 20 0 DBADRM COCCN(CC(=O)N1CCN(c2cccnn2)CC1)C(=O)[O-] ZINC000739823234 603098401 /nfs/dbraw/zinc/09/84/01/603098401.db2.gz QPCZDNZKSJDEFP-UHFFFAOYSA-N -1 0 323.353 -0.248 20 0 DBADRM CCc1nnc2n1CCN(C(=O)CN(CCOC)C(=O)[O-])C2 ZINC000739558044 603101770 /nfs/dbraw/zinc/10/17/70/603101770.db2.gz KSOPDHSVXHDZFB-UHFFFAOYSA-N -1 0 311.342 -0.191 20 0 DBADRM COCCN(CC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000739812033 603103479 /nfs/dbraw/zinc/10/34/79/603103479.db2.gz DLUHFMFFBUTSCB-ZJUUUORDSA-N -1 0 324.399 -0.107 20 0 DBADRM COCCN(CC(=O)N1CCC(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000739816960 603104195 /nfs/dbraw/zinc/10/41/95/603104195.db2.gz QUPUTSSNGQEGDH-UHFFFAOYSA-N -1 0 315.370 -0.060 20 0 DBADRM C[C@@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)NC1CC1 ZINC000739040251 603105903 /nfs/dbraw/zinc/10/59/03/603105903.db2.gz BFHBFQPZAHHRMZ-MRVPVSSYSA-N -1 0 313.310 -0.981 20 0 DBADRM CNC(=O)[C@H]1CCCCN1C(=O)CN(CCOC)C(=O)[O-] ZINC000739739130 603106839 /nfs/dbraw/zinc/10/68/39/603106839.db2.gz QKMOILIEARYVDC-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[O-])CC2)[C@@H](C)CO1 ZINC000826074297 603106368 /nfs/dbraw/zinc/10/63/68/603106368.db2.gz LBXOVJIMNVWURV-UWVGGRQHSA-N -1 0 307.372 -0.364 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CCC[C@H]2CNC(=O)[O-])CC1=O ZINC000828984780 603106931 /nfs/dbraw/zinc/10/69/31/603106931.db2.gz IJKYVMIQLRRIEK-QWRGUYRKSA-N -1 0 313.354 -0.260 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)[O-])CC1=O ZINC000828984781 603106953 /nfs/dbraw/zinc/10/69/53/603106953.db2.gz IJKYVMIQLRRIEK-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM COCCN(CC(=O)N[C@@H](C)CN1CCOCC1)C(=O)[O-] ZINC000739819529 603107233 /nfs/dbraw/zinc/10/72/33/603107233.db2.gz BRHVATUVHVUSGE-NSHDSACASA-N -1 0 303.359 -0.550 20 0 DBADRM COCCN(CC(=O)N[C@H](C)CN1CCOCC1)C(=O)[O-] ZINC000739819528 603107367 /nfs/dbraw/zinc/10/73/67/603107367.db2.gz BRHVATUVHVUSGE-LLVKDONJSA-N -1 0 303.359 -0.550 20 0 DBADRM COC(=O)[C@@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(C)C ZINC000739758523 603107946 /nfs/dbraw/zinc/10/79/46/603107946.db2.gz AHVGJAMSDRXDEF-NSHDSACASA-N -1 0 316.310 -0.451 20 0 DBADRM Cc1noc([C@@H](C)OC(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000740263069 603108151 /nfs/dbraw/zinc/10/81/51/603108151.db2.gz JYKASTWEUMHXNT-SSDOTTSWSA-N -1 0 312.282 -0.196 20 0 DBADRM CCn1cc(C(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000739562330 603108190 /nfs/dbraw/zinc/10/81/90/603108190.db2.gz CRCQGIPXIXORRL-UHFFFAOYSA-N -1 0 323.353 -0.203 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000739201750 603108643 /nfs/dbraw/zinc/10/86/43/603108643.db2.gz LZCPTMMMAZNKMQ-YIZRAAEISA-N -1 0 320.367 -0.207 20 0 DBADRM COCCN(CC(=O)NCCN1CCO[C@@H](C)C1)C(=O)[O-] ZINC000739819234 603110495 /nfs/dbraw/zinc/11/04/95/603110495.db2.gz XJMGOVKCTPVRDH-NSHDSACASA-N -1 0 303.359 -0.550 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000740400422 603114112 /nfs/dbraw/zinc/11/41/12/603114112.db2.gz YEKVUJKMHOJFMQ-SFYZADRCSA-N -1 0 308.381 -0.267 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000736365881 603117491 /nfs/dbraw/zinc/11/74/91/603117491.db2.gz AIRCCZIXXXDUBL-GFCCVEGCSA-N -1 0 314.386 -0.441 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2CCN(C(=O)[O-])C2)c[nH]1 ZINC000828761218 603117729 /nfs/dbraw/zinc/11/77/29/603117729.db2.gz QCZRPWYRYFPGOF-ZETCQYMHSA-N -1 0 317.323 -0.168 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000827306445 603123206 /nfs/dbraw/zinc/12/32/06/603123206.db2.gz QREBQMSQZIEFKY-SECBINFHSA-N -1 0 308.356 -0.047 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000828671176 603124430 /nfs/dbraw/zinc/12/44/30/603124430.db2.gz RDJPQZOAQDUHQV-VIFPVBQESA-N -1 0 308.356 -0.047 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)C1CC1 ZINC000740612234 603128653 /nfs/dbraw/zinc/12/86/53/603128653.db2.gz MHCNNHNYZBXQNC-ZJUUUORDSA-N -1 0 308.342 -0.062 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000829018128 603129783 /nfs/dbraw/zinc/12/97/83/603129783.db2.gz KPYIFEPQYWLJMT-SECBINFHSA-N -1 0 308.356 -0.694 20 0 DBADRM O=C([O-])NC[C@H]1CCC[C@H]1NS(=O)(=O)N1CCOCC1 ZINC000832481238 603130496 /nfs/dbraw/zinc/13/04/96/603130496.db2.gz HJKZDWBTXBNWLN-NXEZZACHSA-N -1 0 307.372 -0.411 20 0 DBADRM C[C@@H](OC(=O)CC(C)(C)NC(=O)[O-])C(=O)N1CCNC1=O ZINC000739040975 603132660 /nfs/dbraw/zinc/13/26/60/603132660.db2.gz BZVVQEKSGSIGTI-SSDOTTSWSA-N -1 0 301.299 -0.094 20 0 DBADRM CC(C)(CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)C(N)=O ZINC000738747625 603134741 /nfs/dbraw/zinc/13/47/41/603134741.db2.gz PQIFACGFDPUUDW-UHFFFAOYSA-N -1 0 314.386 -0.312 20 0 DBADRM CC(C)[C@H](C)NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000738770523 603143933 /nfs/dbraw/zinc/14/39/33/603143933.db2.gz WXQZVSBTOFVBJV-AEJSXWLSSA-N -1 0 302.327 -0.197 20 0 DBADRM CCCCCNC(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739326810 603159258 /nfs/dbraw/zinc/15/92/58/603159258.db2.gz LUMBILJCNJRIQU-VHSXEESVSA-N -1 0 302.327 -0.051 20 0 DBADRM CCCCCNC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739326809 603159297 /nfs/dbraw/zinc/15/92/97/603159297.db2.gz LUMBILJCNJRIQU-UWVGGRQHSA-N -1 0 302.327 -0.051 20 0 DBADRM Cn1c(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])nnc1C1CC1 ZINC000740281960 603159899 /nfs/dbraw/zinc/15/98/99/603159899.db2.gz LRCXTAYSSUIVDJ-BDAKNGLRSA-N -1 0 310.310 -0.151 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)NCc1ccccc1 ZINC000740380299 603160607 /nfs/dbraw/zinc/16/06/07/603160607.db2.gz XVZXRQGBOSFFSP-VXGBXAGGSA-N -1 0 322.317 -0.041 20 0 DBADRM C[C@@H]1CCCN(C(=O)COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000739101083 603161204 /nfs/dbraw/zinc/16/12/04/603161204.db2.gz BOSIPGSWENSNGZ-MXWKQRLJSA-N -1 0 314.338 -0.099 20 0 DBADRM NC(=O)c1cccc(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000740334708 603161880 /nfs/dbraw/zinc/16/18/80/603161880.db2.gz ARPNFEJAIFNEBK-QWRGUYRKSA-N -1 0 308.290 -0.058 20 0 DBADRM O=C([O-])NCCn1cc(S(=O)(=O)N2CCCC2)ccc1=O ZINC000740670225 603162270 /nfs/dbraw/zinc/16/22/70/603162270.db2.gz BUSBTQUDEIXJIN-UHFFFAOYSA-N -1 0 315.351 -0.100 20 0 DBADRM Cc1cc(NC(=O)COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])no1 ZINC000740083887 603163080 /nfs/dbraw/zinc/16/30/80/603163080.db2.gz HTIWNOVFSNGQCW-HTQZYQBOSA-N -1 0 313.266 -0.422 20 0 DBADRM COCCN(CC(=O)OCC(=O)N1CCCC1=O)C(=O)[O-] ZINC000739827852 603164237 /nfs/dbraw/zinc/16/42/37/603164237.db2.gz UNRHWOSNOVLXIN-UHFFFAOYSA-N -1 0 302.283 -0.695 20 0 DBADRM CN(C[C@H]1CCCN1C(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)[O-] ZINC000828185858 603165429 /nfs/dbraw/zinc/16/54/29/603165429.db2.gz GOILFZBJQAFCHY-BDAKNGLRSA-N -1 0 312.326 -0.425 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCN(C(=O)[O-])CC2)C1 ZINC000740340611 603187341 /nfs/dbraw/zinc/18/73/41/603187341.db2.gz HCFMAGGMLQVVBJ-SNVBAGLBSA-N -1 0 319.383 -0.344 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)CCCNC(=O)[O-] ZINC000740030803 603190856 /nfs/dbraw/zinc/19/08/56/603190856.db2.gz KJRSTMFXXVRQIA-UHFFFAOYSA-N -1 0 321.337 -0.010 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCc1nncn1C ZINC000739199277 603192471 /nfs/dbraw/zinc/19/24/71/603192471.db2.gz GAZMEMSSAQQTIU-WCBMZHEXSA-N -1 0 311.342 -0.023 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000740342036 603193421 /nfs/dbraw/zinc/19/34/21/603193421.db2.gz QFCWFCBKSPWLTP-AXFHLTTASA-N -1 0 309.326 -0.445 20 0 DBADRM Cc1nnc(CNC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)n1C ZINC000740256130 603193475 /nfs/dbraw/zinc/19/34/75/603193475.db2.gz ABCOXTAZXSRIGW-UHFFFAOYSA-N -1 0 324.385 -0.186 20 0 DBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC000740658524 603195276 /nfs/dbraw/zinc/19/52/76/603195276.db2.gz LWJSJPSSYWTWMH-SNVBAGLBSA-N -1 0 324.337 -0.161 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC000739010802 603195333 /nfs/dbraw/zinc/19/53/33/603195333.db2.gz XMYPJZYLCLWLHU-RKDXNWHRSA-N -1 0 312.326 -0.425 20 0 DBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]2COCCN2C(=O)[O-])CC1=O ZINC000825861159 603196958 /nfs/dbraw/zinc/19/69/58/603196958.db2.gz PNCKXXMTSCCRBV-CHWFTXMASA-N -1 0 311.338 -0.509 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000825185537 603204490 /nfs/dbraw/zinc/20/44/90/603204490.db2.gz FFPREXQSWQACDH-YUMQZZPRSA-N -1 0 316.339 -0.163 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000825851826 603206354 /nfs/dbraw/zinc/20/63/54/603206354.db2.gz JNGOPOTXBWAQKQ-MRTMQBJTSA-N -1 0 309.326 -0.314 20 0 DBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CSCC(N)=O ZINC000739202723 603210728 /nfs/dbraw/zinc/21/07/28/603210728.db2.gz HMBBKYPZECFWOH-JGVFFNPUSA-N -1 0 319.383 -0.176 20 0 DBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)Cn1cccnc1=O ZINC000739204657 603215712 /nfs/dbraw/zinc/21/57/12/603215712.db2.gz KOHFQPOGBIDORB-NXEZZACHSA-N -1 0 324.337 -0.137 20 0 DBADRM C[C@@H](CC(=O)NCc1ccc(S(N)(=O)=O)cc1)NC(=O)[O-] ZINC000824665247 603217792 /nfs/dbraw/zinc/21/77/92/603217792.db2.gz STJQCXZHRUWNCO-QMMMGPOBSA-N -1 0 315.351 -0.004 20 0 DBADRM COC(=O)NCC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739771676 603218241 /nfs/dbraw/zinc/21/82/41/603218241.db2.gz BBKYBBCIRIVOJH-SFYZADRCSA-N -1 0 303.315 -0.038 20 0 DBADRM Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H](C)NC(=O)[O-])CCO2)n1 ZINC000830735729 603219819 /nfs/dbraw/zinc/21/98/19/603219819.db2.gz UCOKKXUTOFHDNL-KCJUWKMLSA-N -1 0 311.342 -0.222 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739811313 603219860 /nfs/dbraw/zinc/21/98/60/603219860.db2.gz AGHLZGJIVQIBNQ-JTQLQIEISA-N -1 0 301.343 -0.451 20 0 DBADRM Cn1cc(N2CCC[C@@H](NC(=O)CCNC(=O)[O-])C2=O)cn1 ZINC000738411216 603220797 /nfs/dbraw/zinc/22/07/97/603220797.db2.gz NTKMJHVLJUMOPC-SNVBAGLBSA-N -1 0 309.326 -0.311 20 0 DBADRM CN(CC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000737394371 603220707 /nfs/dbraw/zinc/22/07/07/603220707.db2.gz WJIIZVOTHIPLRB-JTQLQIEISA-N -1 0 309.326 -0.359 20 0 DBADRM COCC(=O)NC1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739805044 603221071 /nfs/dbraw/zinc/22/10/71/603221071.db2.gz KCOXJCBVKNVAOM-JTQLQIEISA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H](CC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)NC(=O)[O-] ZINC000824592983 603230548 /nfs/dbraw/zinc/23/05/48/603230548.db2.gz WQBSBYIWXPCTOB-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM Cc1nonc1CN1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000740265648 603236140 /nfs/dbraw/zinc/23/61/40/603236140.db2.gz AUGZJWLQBPTABE-SNVBAGLBSA-N -1 0 311.342 -0.026 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000739671744 603236692 /nfs/dbraw/zinc/23/66/92/603236692.db2.gz BACDDVAJHPLIQK-WAYWQWQTSA-N -1 0 324.337 -0.787 20 0 DBADRM NS(=O)(=O)CCCNC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000740343124 603246206 /nfs/dbraw/zinc/24/62/06/603246206.db2.gz UKBFGRWMNARACK-BDAKNGLRSA-N -1 0 307.372 -0.392 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000737222599 603258832 /nfs/dbraw/zinc/25/88/32/603258832.db2.gz DUEZHGRVMRARMY-SECBINFHSA-N -1 0 322.387 -0.633 20 0 DBADRM Cc1c(C(=O)N(C)CCN2CCN(C(=O)[O-])CC2)nnn1C ZINC000740033875 603260623 /nfs/dbraw/zinc/26/06/23/603260623.db2.gz ZJQYEGFNUHLVGW-UHFFFAOYSA-N -1 0 310.358 -0.509 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N(C)CCCNC(=O)[O-])C[C@H](C)O1 ZINC000739186747 603262069 /nfs/dbraw/zinc/26/20/69/603262069.db2.gz CCZFVHYWXUJVED-AOOOYVTPSA-N -1 0 309.388 -0.070 20 0 DBADRM NC(=O)C(NC(=O)c1ccc(NC(=O)[O-])cc1Cl)C(N)=O ZINC000740323310 603271614 /nfs/dbraw/zinc/27/16/14/603271614.db2.gz IJHXNBGUBPPPOO-UHFFFAOYSA-N -1 0 314.685 -0.501 20 0 DBADRM CS(=O)(=O)N1CCCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739993154 603272960 /nfs/dbraw/zinc/27/29/60/603272960.db2.gz VZLMXMNNNXAIID-JTQLQIEISA-N -1 0 319.383 -0.520 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NC[C@@H]2CCC[C@@H](O)C2)C(=O)C1 ZINC000740369898 603273099 /nfs/dbraw/zinc/27/30/99/603273099.db2.gz PMAPCXZLLYXAFQ-GHMZBOCLSA-N -1 0 313.354 -0.524 20 0 DBADRM NC(=O)CN1CCC(NC(=O)CN(CC2CC2)C(=O)[O-])CC1 ZINC000831190001 603274088 /nfs/dbraw/zinc/27/40/88/603274088.db2.gz JWVBHSCEHLKECD-UHFFFAOYSA-N -1 0 312.370 -0.558 20 0 DBADRM Nc1ncnc2c1ncn2CC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739207748 603274790 /nfs/dbraw/zinc/27/47/90/603274790.db2.gz AEZGTOLYYGKIIJ-MRVPVSSYSA-N -1 0 319.325 -0.333 20 0 DBADRM COC(=O)C[C@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])C(=O)OC ZINC000828646116 603275629 /nfs/dbraw/zinc/27/56/29/603275629.db2.gz FEALQRHSPWMNPF-BDAKNGLRSA-N -1 0 316.310 -0.260 20 0 DBADRM C[C@@H]1[C@H](C)N(C(=O)NCCCNC(=O)[O-])CCS1(=O)=O ZINC000739071659 603283597 /nfs/dbraw/zinc/28/35/97/603283597.db2.gz BOYLMEBCQVZONM-DTWKUNHWSA-N -1 0 307.372 -0.139 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCCN(C)C(=O)[O-] ZINC000739079434 603283720 /nfs/dbraw/zinc/28/37/20/603283720.db2.gz ZVCKTHCLQFQUBJ-IUCAKERBSA-N -1 0 307.372 -0.187 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)NCCN1C(=O)CCC1=O ZINC000739676894 603285663 /nfs/dbraw/zinc/28/56/63/603285663.db2.gz XATPZMKBSQKAHJ-UHFFFAOYSA-N -1 0 300.315 -0.566 20 0 DBADRM CSCCCNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740009273 603286830 /nfs/dbraw/zinc/28/68/30/603286830.db2.gz BRGDLMDZRXRROF-UHFFFAOYSA-N -1 0 318.399 -0.139 20 0 DBADRM CC[C@]1(C)NC(=O)N(CC(=O)NC(C)(C)CNC(=O)[O-])C1=O ZINC000739264880 603292089 /nfs/dbraw/zinc/29/20/89/603292089.db2.gz MIRFJOKAPIQTRN-ZDUSSCGKSA-N -1 0 314.342 -0.131 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)CN(CC1CC1)C(=O)[O-] ZINC000829688779 603292901 /nfs/dbraw/zinc/29/29/01/603292901.db2.gz WHMCLKTVRWPZBN-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000739292943 603298605 /nfs/dbraw/zinc/29/86/05/603298605.db2.gz VWBDMKGJWBDQLW-STQMWFEESA-N -1 0 312.326 -0.377 20 0 DBADRM O=C([O-])NC1CCC(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC000740551413 603299267 /nfs/dbraw/zinc/29/92/67/603299267.db2.gz SMROITVJAAHVAM-OAQUUNCKSA-N -1 0 324.337 -0.377 20 0 DBADRM CN(C(=O)N[C@H]1CCCN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000737327589 603300640 /nfs/dbraw/zinc/30/06/40/603300640.db2.gz QFZFPADGWSXESO-VHSXEESVSA-N -1 0 319.383 -0.043 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000737543894 603301946 /nfs/dbraw/zinc/30/19/46/603301946.db2.gz UUBONYQDKYISGW-VIFPVBQESA-N -1 0 324.341 -0.107 20 0 DBADRM CN(CCN1CCN(C(=O)[O-])CC1)S(=O)(=O)c1c[nH]cn1 ZINC000739688228 603305258 /nfs/dbraw/zinc/30/52/58/603305258.db2.gz XPGSYQWUPNBANP-UHFFFAOYSA-N -1 0 317.371 -0.674 20 0 DBADRM O=C([O-])N1CC[C@@H](C(=O)N2CCO[C@@H](Cn3cncn3)C2)C1 ZINC000740491730 603317913 /nfs/dbraw/zinc/31/79/13/603317913.db2.gz MOJHXBSOTZTHIE-GHMZBOCLSA-N -1 0 309.326 -0.495 20 0 DBADRM C[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1NC(=O)[O-] ZINC000739169645 603327255 /nfs/dbraw/zinc/32/72/55/603327255.db2.gz SQZLGXPKSUGWBG-WCBMZHEXSA-N -1 0 324.337 -0.798 20 0 DBADRM COCCN1C[C@@H](C(=O)O[C@H]2CCN(C(=O)[O-])C2)CC1=O ZINC000739829819 603328629 /nfs/dbraw/zinc/32/86/29/603328629.db2.gz QYKZIYWVXDZBLB-UWVGGRQHSA-N -1 0 300.311 -0.223 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)O[C@H]1CCN(C(=O)[O-])C1 ZINC000739990581 603328655 /nfs/dbraw/zinc/32/86/55/603328655.db2.gz HSLIPFDPCZNFKO-IUCAKERBSA-N -1 0 306.340 -0.294 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000827476415 603329589 /nfs/dbraw/zinc/32/95/89/603329589.db2.gz YMLXXJXYMKSEOT-SECBINFHSA-N -1 0 309.388 -0.180 20 0 DBADRM C[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739126463 603338753 /nfs/dbraw/zinc/33/87/53/603338753.db2.gz QDDHMTWVOFJLGB-IUCAKERBSA-N -1 0 307.372 -0.618 20 0 DBADRM C[C@@H](CC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)NC(=O)[O-] ZINC000824584115 603340416 /nfs/dbraw/zinc/34/04/16/603340416.db2.gz XGPPRNLJTQNDIW-DTWKUNHWSA-N -1 0 322.387 -0.936 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739839111 603347132 /nfs/dbraw/zinc/34/71/32/603347132.db2.gz VCQRSNRMFZAUEM-VHSXEESVSA-N -1 0 322.383 -0.448 20 0 DBADRM CS(=O)(=O)CCn1ccc(NC(=O)NCCNC(=O)[O-])n1 ZINC000829673011 603352927 /nfs/dbraw/zinc/35/29/27/603352927.db2.gz HKJINHBJGCHQPW-UHFFFAOYSA-N -1 0 319.343 -0.683 20 0 DBADRM CC(=O)N1CCN(C(=O)CN2CCN(C(=O)[O-])[C@@H](C)C2)CC1 ZINC000738524882 603356193 /nfs/dbraw/zinc/35/61/93/603356193.db2.gz QSZIQGHGEQWQDT-NSHDSACASA-N -1 0 312.370 -0.639 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000739368075 603356275 /nfs/dbraw/zinc/35/62/75/603356275.db2.gz SIHGHZWVWSHZSF-NSHDSACASA-N -1 0 314.386 -0.345 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCN(C(=O)[O-])[C@H](C)C1 ZINC000739476768 603356744 /nfs/dbraw/zinc/35/67/44/603356744.db2.gz VLISFHUVYWHQMH-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM C[C@H](NC(=O)CN1CCN(C(=O)[O-])[C@H](C)C1)C(=O)N(C)C ZINC000738961207 603357448 /nfs/dbraw/zinc/35/74/48/603357448.db2.gz KXMVLMDMMKHZBS-ZJUUUORDSA-N -1 0 300.359 -0.737 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CC[C@@H]1NC(=O)[O-] ZINC000739132755 603363023 /nfs/dbraw/zinc/36/30/23/603363023.db2.gz ISCDKQDQBOOOQH-BDAKNGLRSA-N -1 0 310.310 -0.547 20 0 DBADRM C[C@@H]1CN(CC(=O)NCC(=O)N2CCCC2)CCN1C(=O)[O-] ZINC000739169938 603365099 /nfs/dbraw/zinc/36/50/99/603365099.db2.gz GIWYODSFIBXGEC-LLVKDONJSA-N -1 0 312.370 -0.591 20 0 DBADRM Cn1ccnc1CN1CCCN(C(=O)NCCNC(=O)[O-])CC1 ZINC000740300701 603372936 /nfs/dbraw/zinc/37/29/36/603372936.db2.gz RWPSLCDFXQGAEA-UHFFFAOYSA-N -1 0 324.385 -0.095 20 0 DBADRM CCNC(=O)[C@H](C)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739464130 603385104 /nfs/dbraw/zinc/38/51/04/603385104.db2.gz YQFOQGADYIISJH-VHSXEESVSA-N -1 0 301.343 -0.214 20 0 DBADRM CN(CC(=O)NC1CC1)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739623199 603385307 /nfs/dbraw/zinc/38/53/07/603385307.db2.gz FQPFKMOFKKDSKT-NSHDSACASA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1 ZINC000740704190 603390150 /nfs/dbraw/zinc/39/01/50/603390150.db2.gz WZVATDYHODCSNX-UHFFFAOYSA-N -1 0 306.278 -0.327 20 0 DBADRM COC(=O)c1ccc(=O)n(CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)n1 ZINC000739781270 603393627 /nfs/dbraw/zinc/39/36/27/603393627.db2.gz UESDQSDDOULIEW-ZJUUUORDSA-N -1 0 324.337 -0.035 20 0 DBADRM NS(=O)(=O)c1cccnc1N1CCC(NC(=O)[O-])CC1 ZINC000740343928 603401601 /nfs/dbraw/zinc/40/16/01/603401601.db2.gz YQVQBGCHPAWSJI-UHFFFAOYSA-N -1 0 300.340 -0.035 20 0 DBADRM C[S@](=O)c1cccc(NC(=O)C(=O)NCCNC(=O)[O-])c1 ZINC000740004305 603402474 /nfs/dbraw/zinc/40/24/74/603402474.db2.gz FIUDUUITHNIYNE-NRFANRHFSA-N -1 0 313.335 -0.254 20 0 DBADRM NC(=O)CCN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000831185286 603405583 /nfs/dbraw/zinc/40/55/83/603405583.db2.gz SCCJEYLQIDUYKC-SDBXPKJASA-N -1 0 312.326 -0.390 20 0 DBADRM CCn1cc(NC(=O)C(=O)NCC[C@@H](C)NC(=O)[O-])ccc1=O ZINC000739567007 603405972 /nfs/dbraw/zinc/40/59/72/603405972.db2.gz NYJKNFUBKLAWSD-SECBINFHSA-N -1 0 324.337 -0.031 20 0 DBADRM Cn1ccc(NC(=O)C(=O)NCC2CCN(C(=O)[O-])CC2)n1 ZINC000740294083 603406639 /nfs/dbraw/zinc/40/66/39/603406639.db2.gz QXMWTYGDLRKBQH-UHFFFAOYSA-N -1 0 309.326 -0.135 20 0 DBADRM C[C@H](CC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000824572946 603413374 /nfs/dbraw/zinc/41/33/74/603413374.db2.gz QYXMISJLJGKWIV-SECBINFHSA-N -1 0 321.399 -0.085 20 0 DBADRM CC(C)[C@H](NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C(N)=O ZINC000738789711 603413881 /nfs/dbraw/zinc/41/38/81/603413881.db2.gz NVFRYUFHYHFBQA-ONGXEEELSA-N -1 0 301.343 -0.229 20 0 DBADRM CCc1cc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)n(C)n1 ZINC000739535537 603418267 /nfs/dbraw/zinc/41/82/67/603418267.db2.gz AJPIYAMHUUWVMD-SECBINFHSA-N -1 0 309.326 -0.211 20 0 DBADRM CCOC(=O)CN(CC(N)=O)C(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000827313987 603419589 /nfs/dbraw/zinc/41/95/89/603419589.db2.gz XAJCLXATCGODQQ-VIFPVBQESA-N -1 0 315.326 -0.604 20 0 DBADRM CCn1cc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)ccc1=O ZINC000739565723 603419875 /nfs/dbraw/zinc/41/98/75/603419875.db2.gz FSANYZOAUGZXJT-JTQLQIEISA-N -1 0 322.321 -0.325 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])c1noc(-c2cn(CC(N)=O)nn2)n1 ZINC000824902200 603421891 /nfs/dbraw/zinc/42/18/91/603421891.db2.gz LDJJTOQLNWNPGX-LURJTMIESA-N -1 0 309.286 -0.473 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000738885659 603422079 /nfs/dbraw/zinc/42/20/79/603422079.db2.gz ROQKLPSFDJCVRR-VIFPVBQESA-N -1 0 307.310 -0.018 20 0 DBADRM Cn1cc(NC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740290491 603426122 /nfs/dbraw/zinc/42/61/22/603426122.db2.gz OJPTVUBHNMBJSC-BDAKNGLRSA-N -1 0 324.337 -0.151 20 0 DBADRM Cc1[nH]nc(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1C ZINC000740033495 603426204 /nfs/dbraw/zinc/42/62/04/603426204.db2.gz QXAIPENNZRSJCG-UHFFFAOYSA-N -1 0 309.326 -0.421 20 0 DBADRM Cn1cc([C@@H]2[C@@H](C(=O)NCCNC(=O)[O-])CCC(=O)N2C)cn1 ZINC000739728359 603426806 /nfs/dbraw/zinc/42/68/06/603426806.db2.gz NCIRRWPWDGEQIC-CMPLNLGQSA-N -1 0 323.353 -0.287 20 0 DBADRM Cn1cc([C@H]2[C@@H](C(=O)NCCNC(=O)[O-])CCC(=O)N2C)cn1 ZINC000739728360 603426853 /nfs/dbraw/zinc/42/68/53/603426853.db2.gz NCIRRWPWDGEQIC-JQWIXIFHSA-N -1 0 323.353 -0.287 20 0 DBADRM O=C([O-])NC[C@@H](C(=O)NN1CC(=O)NC1=O)c1ccccc1 ZINC000832409105 603433752 /nfs/dbraw/zinc/43/37/52/603433752.db2.gz XSPAYYHYHMKSQX-SECBINFHSA-N -1 0 306.278 -0.379 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000829683601 603434466 /nfs/dbraw/zinc/43/44/66/603434466.db2.gz VZHXUKAFODECQK-VHSXEESVSA-N -1 0 319.383 -0.474 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828096210 603435722 /nfs/dbraw/zinc/43/57/22/603435722.db2.gz ZZBQSDMMRIVJBC-GHMZBOCLSA-N -1 0 313.354 -0.260 20 0 DBADRM NC(=O)Cn1cc(C(=O)Oc2cccc(CNC(=O)[O-])c2)nn1 ZINC000831199601 603437804 /nfs/dbraw/zinc/43/78/04/603437804.db2.gz FJTDEZIJDTWXRT-UHFFFAOYSA-N -1 0 319.277 -0.250 20 0 DBADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)N2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000832247452 603439720 /nfs/dbraw/zinc/43/97/20/603439720.db2.gz PMAXKLYBSAPEHL-BDAKNGLRSA-N -1 0 324.337 -0.377 20 0 DBADRM COC(=O)[C@]1(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CCOC1 ZINC000828624152 603441516 /nfs/dbraw/zinc/44/15/16/603441516.db2.gz LMEGCMADFWNXBO-KKFJDGPESA-N -1 0 300.311 -0.129 20 0 DBADRM COCCN(CC(=O)N[C@]1(C(=O)OC)CCOC1)C(=O)[O-] ZINC000828976732 603442240 /nfs/dbraw/zinc/44/22/40/603442240.db2.gz RFXQKXJWCAUQBH-GFCCVEGCSA-N -1 0 304.299 -0.939 20 0 DBADRM COC(=O)c1cn(CC(=O)N2CCC(NC(=O)[O-])CC2)nn1 ZINC000828803563 603442560 /nfs/dbraw/zinc/44/25/60/603442560.db2.gz BOBNVJAZGWWDRJ-UHFFFAOYSA-N -1 0 311.298 -0.677 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000824958486 603445749 /nfs/dbraw/zinc/44/57/49/603445749.db2.gz ABMSNKIYGCAFCP-RKDXNWHRSA-N -1 0 309.326 -0.123 20 0 DBADRM C[C@@H](CC(=O)N1CCN(CCn2cncn2)CC1)NC(=O)[O-] ZINC000824598895 603449450 /nfs/dbraw/zinc/44/94/50/603449450.db2.gz ILVWZNBPGFNQCY-NSHDSACASA-N -1 0 310.358 -0.532 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(CCn2cncn2)CC1 ZINC000827514353 603450241 /nfs/dbraw/zinc/45/02/41/603450241.db2.gz NDTWIJQTWNWVPF-NSHDSACASA-N -1 0 310.358 -0.532 20 0 DBADRM O=C([O-])N1CC(OCC(=O)NC[C@@H](O)COc2ccccc2)C1 ZINC000831529634 603471382 /nfs/dbraw/zinc/47/13/82/603471382.db2.gz OISZRIXYKPDQTD-LLVKDONJSA-N -1 0 324.333 -0.079 20 0 DBADRM NC(=O)C1(CNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CCOCC1 ZINC000831167412 603472617 /nfs/dbraw/zinc/47/26/17/603472617.db2.gz KNOOPBIASTWKQZ-UWVGGRQHSA-N -1 0 313.354 -0.179 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)OCCN1C(=O)c2ccncc2C1=O ZINC000825196023 603472861 /nfs/dbraw/zinc/47/28/61/603472861.db2.gz XMUCEADPJNRSEX-ZETCQYMHSA-N -1 0 307.262 -0.123 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000828543427 603473592 /nfs/dbraw/zinc/47/35/92/603473592.db2.gz VJGLNXDBLIUJSR-WDEREUQCSA-N -1 0 312.370 -0.687 20 0 DBADRM O=C([O-])NCCC(=O)OCCN1C(=O)c2ccncc2C1=O ZINC000832604974 603473815 /nfs/dbraw/zinc/47/38/15/603473815.db2.gz FOVGVMOKAWTWOQ-UHFFFAOYSA-N -1 0 307.262 -0.122 20 0 DBADRM CN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)CCS(C)(=O)=O ZINC000828086578 603475542 /nfs/dbraw/zinc/47/55/42/603475542.db2.gz WWLYJARBIAAXDY-MRVPVSSYSA-N -1 0 314.385 -0.955 20 0 DBADRM Cc1nnc([C@H]2CN(C(=O)NCCCNC(=O)[O-])CCO2)[nH]1 ZINC000830678514 603482916 /nfs/dbraw/zinc/48/29/16/603482916.db2.gz PKWLBQMDKUSLGY-SECBINFHSA-N -1 0 312.330 -0.146 20 0 DBADRM CC[C@@H](CCO)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000826582302 603494883 /nfs/dbraw/zinc/49/48/83/603494883.db2.gz XTMQUURBIIKAKF-LBPRGKRZSA-N -1 0 316.402 -0.010 20 0 DBADRM CCNC(=O)CCCC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000827237470 603501316 /nfs/dbraw/zinc/50/13/16/603501316.db2.gz TXPNJPUUDLLQEQ-LLVKDONJSA-N -1 0 314.386 -0.297 20 0 DBADRM NC(=O)Cn1cc(C(=O)O[C@H]2CCC[C@@H]2CNC(=O)[O-])nn1 ZINC000831200187 603506833 /nfs/dbraw/zinc/50/68/33/603506833.db2.gz VVTJDXMOYRVBSH-APPZFPTMSA-N -1 0 311.298 -0.644 20 0 DBADRM NC(=O)Cn1cc(C(=O)O[C@@H]2CCC[C@@H]2CNC(=O)[O-])nn1 ZINC000831200190 603506941 /nfs/dbraw/zinc/50/69/41/603506941.db2.gz VVTJDXMOYRVBSH-VXNVDRBHSA-N -1 0 311.298 -0.644 20 0 DBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)c1nccnc1C(N)=O ZINC000828150106 603512414 /nfs/dbraw/zinc/51/24/14/603512414.db2.gz DWQJONHICHQXGN-UHFFFAOYSA-N -1 0 309.326 -0.059 20 0 DBADRM CN1CCN(C(=O)c2ccc3nncn3c2)[C@H](CNC(=O)[O-])C1 ZINC000828513991 603514817 /nfs/dbraw/zinc/51/48/17/603514817.db2.gz SRAQGNPDDOJSQG-LLVKDONJSA-N -1 0 318.337 -0.247 20 0 DBADRM COCc1cc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])no1 ZINC000829036331 603517397 /nfs/dbraw/zinc/51/73/97/603517397.db2.gz TYNDQXIUWADHJH-VIFPVBQESA-N -1 0 312.326 -0.155 20 0 DBADRM CN1CCN(C(=O)COCC(F)(F)F)[C@H](CNC(=O)[O-])C1 ZINC000828500861 603518694 /nfs/dbraw/zinc/51/86/94/603518694.db2.gz QDHSLSFZASPBJE-MRVPVSSYSA-N -1 0 313.276 -0.025 20 0 DBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000826742807 603524621 /nfs/dbraw/zinc/52/46/21/603524621.db2.gz FJAJQFADBVDXHH-RKDXNWHRSA-N -1 0 307.372 -0.298 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC000827841035 603528369 /nfs/dbraw/zinc/52/83/69/603528369.db2.gz KPAIFYYWPCRDHD-VIFPVBQESA-N -1 0 312.326 -0.471 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000827836243 603528476 /nfs/dbraw/zinc/52/84/76/603528476.db2.gz WZCHOBWGSGMEFS-NXEZZACHSA-N -1 0 321.337 -0.027 20 0 DBADRM O=C([O-])NCCNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000832653465 603528519 /nfs/dbraw/zinc/52/85/19/603528519.db2.gz XEPLCRDRWXHRLY-SNVBAGLBSA-N -1 0 314.342 -0.667 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000824381605 603529950 /nfs/dbraw/zinc/52/99/50/603529950.db2.gz HRRDXTCYQOOJFU-VHSXEESVSA-N -1 0 321.399 -0.133 20 0 DBADRM COCCCS(=O)(=O)NCCN1CCC[C@H](NC(=O)[O-])C1 ZINC000828964068 603539443 /nfs/dbraw/zinc/53/94/43/603539443.db2.gz JZNGELUZTMKSKY-NSHDSACASA-N -1 0 323.415 -0.326 20 0 DBADRM Cn1cc(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000831008747 603542419 /nfs/dbraw/zinc/54/24/19/603542419.db2.gz AYNUPBOVPILTJY-SFYZADRCSA-N -1 0 310.310 -0.541 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)NCC(C)(C)NC(=O)[O-] ZINC000826093379 603545172 /nfs/dbraw/zinc/54/51/72/603545172.db2.gz DCEBWHLROKPJPZ-QMMMGPOBSA-N -1 0 307.372 -0.139 20 0 DBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000824967541 603546869 /nfs/dbraw/zinc/54/68/69/603546869.db2.gz SKLIXDPVBBDHKH-ZETCQYMHSA-N -1 0 318.355 -0.599 20 0 DBADRM COCCN(CC(=O)N[C@H]1CC(=O)N(C(C)C)C1=O)C(=O)[O-] ZINC000828975252 603547737 /nfs/dbraw/zinc/54/77/37/603547737.db2.gz AVXDCEQCRXVDIV-VIFPVBQESA-N -1 0 315.326 -0.735 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000823749158 603549685 /nfs/dbraw/zinc/54/96/85/603549685.db2.gz PZIIHXAWPHTIQY-UHFFFAOYSA-N -1 0 300.359 -0.558 20 0 DBADRM Cc1nc2n(n1)CCC[C@H]2NC(=O)COC1CN(C(=O)[O-])C1 ZINC000830799743 603551842 /nfs/dbraw/zinc/55/18/42/603551842.db2.gz PRJFNEUMDNZRIY-SNVBAGLBSA-N -1 0 309.326 -0.084 20 0 DBADRM C[C@@H](CC(=O)N(C)C[C@H](O)CN1CCOCC1)NC(=O)[O-] ZINC000824550664 603560313 /nfs/dbraw/zinc/56/03/13/603560313.db2.gz HGTYKWTXSVGYBW-QWRGUYRKSA-N -1 0 303.359 -0.816 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)CCCNC(=O)[O-] ZINC000828161028 603561900 /nfs/dbraw/zinc/56/19/00/603561900.db2.gz DBYCSGHDTGGIGM-NSHDSACASA-N -1 0 303.359 -0.814 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000825057908 603566773 /nfs/dbraw/zinc/56/67/73/603566773.db2.gz YLSDLMCYEAVUJA-NSHDSACASA-N -1 0 324.385 -0.143 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)CC2CN(C(=O)[O-])C2)C1 ZINC000829683558 603567883 /nfs/dbraw/zinc/56/78/83/603567883.db2.gz UXLATEAKEBJLPJ-JTQLQIEISA-N -1 0 319.383 -0.474 20 0 DBADRM CC(C)(C)S(=O)(=O)CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000823833223 603575907 /nfs/dbraw/zinc/57/59/07/603575907.db2.gz MJSOEZNODIROCI-BDAKNGLRSA-N -1 0 322.383 -0.571 20 0 DBADRM CO[C@H](C)c1noc(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])n1 ZINC000828835611 603582888 /nfs/dbraw/zinc/58/28/88/603582888.db2.gz FIYMDVBQFZNQAN-CSMHCCOUSA-N -1 0 315.282 -0.067 20 0 DBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)CC1CN(C(=O)[O-])C1 ZINC000828579096 603585026 /nfs/dbraw/zinc/58/50/26/603585026.db2.gz ICZYAHPECUSYPL-SNVBAGLBSA-N -1 0 319.383 -0.474 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CC1CN(C(=O)[O-])C1 ZINC000828579094 603585150 /nfs/dbraw/zinc/58/51/50/603585150.db2.gz ICZYAHPECUSYPL-JTQLQIEISA-N -1 0 319.383 -0.474 20 0 DBADRM CC[C@H]1C(=O)NCCN1CN1CC2(CN(C(=O)[O-])C2)CC1=O ZINC000826661085 603588515 /nfs/dbraw/zinc/58/85/15/603588515.db2.gz PDTRIYLVIVWYQV-JTQLQIEISA-N -1 0 310.354 -0.633 20 0 DBADRM CN(CCS(C)(=O)=O)CN1CC2(CN(C(=O)[O-])C2)CC1=O ZINC000828341987 603589530 /nfs/dbraw/zinc/58/95/30/603589530.db2.gz XTFARGIICKFUII-UHFFFAOYSA-N -1 0 319.383 -0.867 20 0 DBADRM CNS(=O)(=O)CC(=O)NCC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828580355 603594129 /nfs/dbraw/zinc/59/41/29/603594129.db2.gz ZAHCWRXSSPETQP-VIFPVBQESA-N -1 0 307.372 -0.568 20 0 DBADRM C[C@@H](OC(=O)c1cn(CC(N)=O)nn1)[C@H]1CCCN1C(=O)[O-] ZINC000825610464 603594901 /nfs/dbraw/zinc/59/49/01/603594901.db2.gz HEWTVYWWENECDG-VXNVDRBHSA-N -1 0 311.298 -0.549 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])c1=O ZINC000830963948 603595512 /nfs/dbraw/zinc/59/55/12/603595512.db2.gz NNEZXGOQWNFAOR-APPZFPTMSA-N -1 0 310.310 -0.348 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1=O ZINC000830963131 603595759 /nfs/dbraw/zinc/59/57/59/603595759.db2.gz GIMCGZZLSRYXFN-CBLAIPOGSA-N -1 0 322.321 -0.111 20 0 DBADRM CC[C@@H](CCO)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000826579923 603596899 /nfs/dbraw/zinc/59/68/99/603596899.db2.gz CBQRWESYBYVPAI-JTQLQIEISA-N -1 0 301.343 -0.667 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)Cn1cc[nH]c1=S ZINC000828096120 603597523 /nfs/dbraw/zinc/59/75/23/603597523.db2.gz WVSAQLJSYSKLHV-UHFFFAOYSA-N -1 0 313.383 -0.117 20 0 DBADRM CN(Cc1cc[nH]n1)CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O ZINC000828350341 603602536 /nfs/dbraw/zinc/60/25/36/603602536.db2.gz DHJVXMQVYJPGKZ-NSHDSACASA-N -1 0 308.342 -0.101 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)OC[C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000825740382 603607058 /nfs/dbraw/zinc/60/70/58/603607058.db2.gz WFGQXZYIXFYRJV-QMMMGPOBSA-N -1 0 313.310 -0.140 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)NCCN2CCOCC2)C1 ZINC000827849806 603611149 /nfs/dbraw/zinc/61/11/49/603611149.db2.gz BSSCIUKIJMKDKZ-NSHDSACASA-N -1 0 300.359 -0.288 20 0 DBADRM CC(C)(CNC(=O)C(=O)Nc1cccc(C(N)=O)c1)NC(=O)[O-] ZINC000823895151 603613783 /nfs/dbraw/zinc/61/37/83/603613783.db2.gz OYLUNZQDXVEVOV-UHFFFAOYSA-N -1 0 322.321 -0.114 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)OC[C@@H]1CCCN1C(=O)[O-] ZINC000824034609 603613850 /nfs/dbraw/zinc/61/38/50/603613850.db2.gz FWFJLSDUDBMUJH-QMMMGPOBSA-N -1 0 308.356 0.000 20 0 DBADRM Cc1ccnc2nc(C(=O)O[C@@H]3CN(C(=O)[O-])CCC3=O)nn21 ZINC000830611715 603614310 /nfs/dbraw/zinc/61/43/10/603614310.db2.gz NJQPRESPPNAVSI-SECBINFHSA-N -1 0 319.277 -0.089 20 0 DBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(=O)[O-])C1 ZINC000740343730 603621509 /nfs/dbraw/zinc/62/15/09/603621509.db2.gz WGCMBKYUDAYSNG-VHSXEESVSA-N -1 0 319.383 -0.202 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])C1 ZINC000831239595 603622900 /nfs/dbraw/zinc/62/29/00/603622900.db2.gz IKZUPQMSFUFOLC-OPRDCNLKSA-N -1 0 319.383 -0.298 20 0 DBADRM COCCCS(=O)(=O)NCCN1CCN(C(=O)[O-])[C@H](C)C1 ZINC000828964472 603626853 /nfs/dbraw/zinc/62/68/53/603626853.db2.gz WCSYMXOEDBOSTF-LLVKDONJSA-N -1 0 323.415 -0.374 20 0 DBADRM C[C@@H]1CN(C(=O)NCCNC(=O)[O-])C[C@@H]1N1CCOCC1 ZINC000826003096 603628906 /nfs/dbraw/zinc/62/89/06/603628906.db2.gz WRBOWORIRPRJEA-MNOVXSKESA-N -1 0 300.359 -0.384 20 0 DBADRM C[C@H]1CN(C(=O)NCCNC(=O)[O-])C[C@@H]1N1CCOCC1 ZINC000826003097 603629616 /nfs/dbraw/zinc/62/96/16/603629616.db2.gz WRBOWORIRPRJEA-QWRGUYRKSA-N -1 0 300.359 -0.384 20 0 DBADRM C[C@@H]1CN(C(=O)NCCN(C)C(=O)[O-])C[C@H]1N1CCOCC1 ZINC000826001295 603631336 /nfs/dbraw/zinc/63/13/36/603631336.db2.gz LUNRHPKRKKZYFU-VXGBXAGGSA-N -1 0 314.386 -0.042 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CCO1 ZINC000823580477 603632117 /nfs/dbraw/zinc/63/21/17/603632117.db2.gz SWHSHVMSAZAOTR-SDDRHHMPSA-N -1 0 313.354 -0.214 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCO[C@H](Cn3cncn3)C2)C1 ZINC000832252940 603633401 /nfs/dbraw/zinc/63/34/01/603633401.db2.gz DCENWNSHSPOCSW-UTUOFQBUSA-N -1 0 323.353 -0.058 20 0 DBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCO[C@@H](Cn3cncn3)C2)C1 ZINC000832252938 603633745 /nfs/dbraw/zinc/63/37/45/603633745.db2.gz DCENWNSHSPOCSW-QJPTWQEYSA-N -1 0 323.353 -0.058 20 0 DBADRM C[C@H](CC(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O)NC(=O)[O-] ZINC000824637938 603640280 /nfs/dbraw/zinc/64/02/80/603640280.db2.gz WNBSNBXXTQNKTB-UJVNDKKSSA-N -1 0 312.326 -0.473 20 0 DBADRM CCN(CC(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O)C(=O)[O-] ZINC000827002462 603640577 /nfs/dbraw/zinc/64/05/77/603640577.db2.gz MIKUSBDCSSQCIE-SDBXPKJASA-N -1 0 312.326 -0.519 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000824020879 603640583 /nfs/dbraw/zinc/64/05/83/603640583.db2.gz YOQUEPQDQQTZAS-CPFSXVBKSA-N -1 0 312.326 -0.473 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000823955580 603641504 /nfs/dbraw/zinc/64/15/04/603641504.db2.gz DYFNDLVWKOZPHY-UHFFFAOYSA-N -1 0 321.399 -0.873 20 0 DBADRM O=C([O-])NCCCC(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000832609028 603642036 /nfs/dbraw/zinc/64/20/36/603642036.db2.gz OKWTUFNQKLOULJ-SDBXPKJASA-N -1 0 312.326 -0.471 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCNC(=O)c1ccco1 ZINC000831689229 603645733 /nfs/dbraw/zinc/64/57/33/603645733.db2.gz MWPMKQJZTZQIOV-BDAKNGLRSA-N -1 0 311.294 -0.761 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCNC(=O)c1ccco1 ZINC000831689234 603646165 /nfs/dbraw/zinc/64/61/65/603646165.db2.gz MWPMKQJZTZQIOV-RKDXNWHRSA-N -1 0 311.294 -0.761 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825015366 603657007 /nfs/dbraw/zinc/65/70/07/603657007.db2.gz FDMBYROJGPUENZ-DTWKUNHWSA-N -1 0 307.372 -0.187 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)NCCN2C(=O)CCC2=O)C1 ZINC000827850067 603657653 /nfs/dbraw/zinc/65/76/53/603657653.db2.gz DFONFNPZDJSAFK-VIFPVBQESA-N -1 0 312.326 -0.471 20 0 DBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000823952673 603663239 /nfs/dbraw/zinc/66/32/39/603663239.db2.gz RGNWTILJJMVCTJ-VIFPVBQESA-N -1 0 321.399 -0.193 20 0 DBADRM NC(=O)c1ccc(F)c(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000831229860 603664552 /nfs/dbraw/zinc/66/45/52/603664552.db2.gz VDMMYCWLTMOIRG-XVKPBYJWSA-N -1 0 311.269 -0.024 20 0 DBADRM CCC(CC)(CNC(=O)N1CCO[C@@H](C(N)=O)C1)NC(=O)[O-] ZINC000826141935 603670380 /nfs/dbraw/zinc/67/03/80/603670380.db2.gz ODIFULJFUMMCIQ-SECBINFHSA-N -1 0 316.358 -0.292 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)NCc2nnnn2C2CC2)C1 ZINC000827858778 603671841 /nfs/dbraw/zinc/67/18/41/603671841.db2.gz SJUAMKJKRGPWJK-VIFPVBQESA-N -1 0 309.330 -0.098 20 0 DBADRM C[C@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H]1CNC(=O)[O-] ZINC000825919552 603675582 /nfs/dbraw/zinc/67/55/82/603675582.db2.gz OQNFOUCVUQKFLC-WCBMZHEXSA-N -1 0 324.337 -0.006 20 0 DBADRM C[C@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)[C@H]1CNC(=O)[O-] ZINC000825919553 603675861 /nfs/dbraw/zinc/67/58/61/603675861.db2.gz OQNFOUCVUQKFLC-WPRPVWTQSA-N -1 0 324.337 -0.006 20 0 DBADRM CNC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000828543835 603676259 /nfs/dbraw/zinc/67/62/59/603676259.db2.gz ZMHDQTSBKYEDFD-AMIZOPFISA-N -1 0 312.326 -0.519 20 0 DBADRM CCN(CCCNC(=O)CC1CN(C(=O)[O-])C1)S(C)(=O)=O ZINC000827116175 603682583 /nfs/dbraw/zinc/68/25/83/603682583.db2.gz CLRPQJYOWMHHMF-UHFFFAOYSA-N -1 0 321.399 -0.226 20 0 DBADRM CC(C)(CC(=O)N1CCN(C(C)(C)C(N)=O)CC1)NC(=O)[O-] ZINC000823882035 603683491 /nfs/dbraw/zinc/68/34/91/603683491.db2.gz OFFKEYHORHNSNT-UHFFFAOYSA-N -1 0 314.386 -0.169 20 0 DBADRM COC(=O)CN(CN1CC2(CN(C(=O)[O-])C2)CC1=O)C1CC1 ZINC000828684276 603688213 /nfs/dbraw/zinc/68/82/13/603688213.db2.gz SFFGGTSSPYNCLJ-UHFFFAOYSA-N -1 0 311.338 -0.206 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000828542282 603688726 /nfs/dbraw/zinc/68/87/26/603688726.db2.gz IWCIWVCIFHLVMG-UHFFFAOYSA-N -1 0 308.294 -0.745 20 0 DBADRM COCCN1C[C@H](C(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)CC1=O ZINC000828984424 603689250 /nfs/dbraw/zinc/68/92/50/603689250.db2.gz DVNITEIOBWHORZ-MNOVXSKESA-N -1 0 313.354 -0.308 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)NCCCNC(=O)[O-])CC1 ZINC000829669824 603694536 /nfs/dbraw/zinc/69/45/36/603694536.db2.gz QDWZSARFECILKY-UHFFFAOYSA-N -1 0 307.372 -0.232 20 0 DBADRM CCOC[C@H]1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000827387592 603696255 /nfs/dbraw/zinc/69/62/55/603696255.db2.gz FFJYIZWVSSYHQT-NSHDSACASA-N -1 0 313.354 -0.306 20 0 DBADRM CN(C(=O)Cn1nc2ccccn2c1=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827781184 603698325 /nfs/dbraw/zinc/69/83/25/603698325.db2.gz HBRPNARTLWXDIC-JTQLQIEISA-N -1 0 319.321 -0.293 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NC[C@@H]1CCCCN1C(=O)[O-])C(N)=O ZINC000823586282 603699706 /nfs/dbraw/zinc/69/97/06/603699706.db2.gz RNDOBQJJOSAUBT-UWVGGRQHSA-N -1 0 314.342 -0.985 20 0 DBADRM CN(CC(N)=O)C(=O)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000828365670 603700213 /nfs/dbraw/zinc/70/02/13/603700213.db2.gz BTKNNVCPVCMAHP-UHFFFAOYSA-N -1 0 322.321 -0.321 20 0 DBADRM NC(=O)NCc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000831207876 603701280 /nfs/dbraw/zinc/70/12/80/603701280.db2.gz FYLBQKITESLXET-QWRGUYRKSA-N -1 0 322.321 -0.093 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000823574965 603701774 /nfs/dbraw/zinc/70/17/74/603701774.db2.gz LCTNEZQOZNVAQW-TUAOUCFPSA-N -1 0 313.354 -0.526 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCCC[C@H]1CNC(=O)[O-] ZINC000831259358 603702806 /nfs/dbraw/zinc/70/28/06/603702806.db2.gz FFYUUZJKVHLNNQ-LURJTMIESA-N -1 0 311.298 -0.268 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)CCNC(=O)[O-])C1=O ZINC000828444601 603707555 /nfs/dbraw/zinc/70/75/55/603707555.db2.gz GMHQAJUPNRNZBL-SDBXPKJASA-N -1 0 312.326 -0.519 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)nn1 ZINC000827967280 603711294 /nfs/dbraw/zinc/71/12/94/603711294.db2.gz UEXSGGLBVMLBLG-VIFPVBQESA-N -1 0 324.341 -0.809 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000823754522 603715800 /nfs/dbraw/zinc/71/58/00/603715800.db2.gz NMKYMRSIYGHELZ-DTWKUNHWSA-N -1 0 301.343 -0.622 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCCO[C@@H]1CCOC1 ZINC000831680401 603716596 /nfs/dbraw/zinc/71/65/96/603716596.db2.gz HGAFCKWMAYNPDO-MXWKQRLJSA-N -1 0 302.327 -0.589 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCC(=O)Nc1ccncc1 ZINC000831433794 603717582 /nfs/dbraw/zinc/71/75/82/603717582.db2.gz VFGMABPSCGBZAS-GHMZBOCLSA-N -1 0 322.321 -0.939 20 0 DBADRM COC(=O)Cc1ccccc1NC(=O)C(=O)NCCNC(=O)[O-] ZINC000828695621 603719482 /nfs/dbraw/zinc/71/94/82/603719482.db2.gz YDIDNRKYWWWNAK-UHFFFAOYSA-N -1 0 323.305 -0.276 20 0 DBADRM O=C([O-])NCCOCC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000832662086 603720003 /nfs/dbraw/zinc/72/00/03/603720003.db2.gz IFNWRAVHABVCPO-WDEREUQCSA-N -1 0 302.327 -0.323 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)NCC[C@@H](C)NC(=O)[O-] ZINC000827044656 603720918 /nfs/dbraw/zinc/72/09/18/603720918.db2.gz AZZJTUMVBFNTEY-SECBINFHSA-N -1 0 309.388 -0.180 20 0 DBADRM COC[C@](C)(NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)OC ZINC000828885716 603725112 /nfs/dbraw/zinc/72/51/12/603725112.db2.gz MHJJTGSITIKEDG-NWDGAFQWSA-N -1 0 306.290 -0.227 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000827519244 603727905 /nfs/dbraw/zinc/72/79/05/603727905.db2.gz RKUKEIMRALZPBO-JTQLQIEISA-N -1 0 323.353 -0.525 20 0 DBADRM COC(=O)C(C)(C)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000828594049 603730134 /nfs/dbraw/zinc/73/01/34/603730134.db2.gz PYKGKBYJDKDFJJ-UHFFFAOYSA-N -1 0 315.326 -0.876 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000831757987 603732046 /nfs/dbraw/zinc/73/20/46/603732046.db2.gz RSLOXGPCDALYHP-VHSXEESVSA-N -1 0 318.293 -0.082 20 0 DBADRM COC(=O)[C@@H](C)CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000828602946 603735094 /nfs/dbraw/zinc/73/50/94/603735094.db2.gz ZQMLUVIQDMUKCV-JTQLQIEISA-N -1 0 315.370 -0.014 20 0 DBADRM C[C@H](CC[S@](C)=O)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824809984 603737121 /nfs/dbraw/zinc/73/71/21/603737121.db2.gz NKLYUGVVMKIKDK-BTKVJGODSA-N -1 0 319.383 -0.918 20 0 DBADRM C[C@@H](CC[S@](C)=O)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824809985 603737171 /nfs/dbraw/zinc/73/71/71/603737171.db2.gz NKLYUGVVMKIKDK-FPVGNUTFSA-N -1 0 319.383 -0.918 20 0 DBADRM CN(CC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O)c1ncccn1 ZINC000828120213 603737509 /nfs/dbraw/zinc/73/75/09/603737509.db2.gz GAFXEWGBTZASIA-SNVBAGLBSA-N -1 0 308.294 -0.223 20 0 DBADRM NC(=O)CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000831185603 603739349 /nfs/dbraw/zinc/73/93/49/603739349.db2.gz WLCGCYRTQHCRPQ-DCAQKATOSA-N -1 0 313.354 -0.396 20 0 DBADRM COC(=O)[C@H]1COCCN1C(=O)CC1(NC(=O)[O-])CCC1 ZINC000828641356 603743655 /nfs/dbraw/zinc/74/36/55/603743655.db2.gz PDVMVAKTDBXTKM-SECBINFHSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCCNC(=O)c1ccco1 ZINC000831533157 603743972 /nfs/dbraw/zinc/74/39/72/603743972.db2.gz DTQXSDRKVWWKPU-UHFFFAOYSA-N -1 0 311.294 -0.496 20 0 DBADRM CC1(C)CN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CCS1(=O)=O ZINC000825718286 603743969 /nfs/dbraw/zinc/74/39/69/603743969.db2.gz DLNRJBHYOBIZIV-DTWKUNHWSA-N -1 0 320.367 -0.865 20 0 DBADRM COCCC(C)(C)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000828934262 603745500 /nfs/dbraw/zinc/74/55/00/603745500.db2.gz MPGPKUXHFKLOJX-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM Cc1cc(=O)[nH]cc1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000830128611 603745563 /nfs/dbraw/zinc/74/55/63/603745563.db2.gz DYJFUIPKQJONFV-UHFFFAOYSA-N -1 0 308.294 -0.144 20 0 DBADRM CC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000827524590 603746371 /nfs/dbraw/zinc/74/63/71/603746371.db2.gz NSHBPMILGUCNMW-KXUCPTDWSA-N -1 0 321.399 -0.133 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)NCCNC(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825794001 603747452 /nfs/dbraw/zinc/74/74/52/603747452.db2.gz DWYJCYXTBHCXMZ-WCBMZHEXSA-N -1 0 324.341 -0.519 20 0 DBADRM C[C@H]1C[C@H](NC(=O)NCCNC(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825794002 603747461 /nfs/dbraw/zinc/74/74/61/603747461.db2.gz DWYJCYXTBHCXMZ-WPRPVWTQSA-N -1 0 324.341 -0.519 20 0 DBADRM CCOC(=O)NCCC(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000827327266 603750753 /nfs/dbraw/zinc/75/07/53/603750753.db2.gz JGTHLLGMOFBXRL-VIFPVBQESA-N -1 0 302.283 -0.013 20 0 DBADRM NC(=O)CCn1ccc(NC(=O)COC2CN(C(=O)[O-])C2)n1 ZINC000831190158 603753063 /nfs/dbraw/zinc/75/30/63/603753063.db2.gz OKMFZBRJYLCLST-UHFFFAOYSA-N -1 0 311.298 -0.924 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNS(=O)(=O)CC2CC2)CC1 ZINC000832025409 603755136 /nfs/dbraw/zinc/75/51/36/603755136.db2.gz YXAHXTGPSISFNT-UHFFFAOYSA-N -1 0 305.356 -0.862 20 0 DBADRM COCC(C)(C)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000828885802 603759835 /nfs/dbraw/zinc/75/98/35/603759835.db2.gz OGSHRAAFDKCEOM-UHFFFAOYSA-N -1 0 316.358 -0.467 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000824034535 603761555 /nfs/dbraw/zinc/76/15/55/603761555.db2.gz DVRSRGGJPSAZRY-MNOVXSKESA-N -1 0 315.370 -0.985 20 0 DBADRM CCC[C@H](NC(=O)[O-])C(=O)N(C)CCN1CCCS1(=O)=O ZINC000826743057 603762604 /nfs/dbraw/zinc/76/26/04/603762604.db2.gz GOEZYAZFJXIEGK-JTQLQIEISA-N -1 0 321.399 -0.083 20 0 DBADRM COCCN(CC(=O)N1CC[C@](F)(C(=O)OC)C1)C(=O)[O-] ZINC000828971021 603763253 /nfs/dbraw/zinc/76/32/53/603763253.db2.gz LXZCLFUNMFWNSR-GFCCVEGCSA-N -1 0 306.290 -0.274 20 0 DBADRM CC(C)(C)N1C[C@H](NC(=O)[C@H]2COCCN2C(=O)[O-])CC1=O ZINC000823774316 603764476 /nfs/dbraw/zinc/76/44/76/603764476.db2.gz ZGYOCGBZBGUATF-NXEZZACHSA-N -1 0 313.354 -0.119 20 0 DBADRM CC(C)(C)N1C[C@H](NC(=O)COCCNC(=O)[O-])CC1=O ZINC000823772932 603764580 /nfs/dbraw/zinc/76/45/80/603764580.db2.gz PNALOGSEODTRCX-SECBINFHSA-N -1 0 301.343 -0.214 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000829668548 603771561 /nfs/dbraw/zinc/77/15/61/603771561.db2.gz GDAITPVKZYBBLZ-VIFPVBQESA-N -1 0 320.367 -0.694 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)CC2CN(C(=O)[O-])C2)C1 ZINC000831246639 603771789 /nfs/dbraw/zinc/77/17/89/603771789.db2.gz SEJSUMZAOYJSGH-VIFPVBQESA-N -1 0 319.383 -0.487 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)CC2CN(C(=O)[O-])C2)C1 ZINC000831246638 603772186 /nfs/dbraw/zinc/77/21/86/603772186.db2.gz SEJSUMZAOYJSGH-SECBINFHSA-N -1 0 319.383 -0.487 20 0 DBADRM CN(C)C(=O)COC1CN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000827959747 603772308 /nfs/dbraw/zinc/77/23/08/603772308.db2.gz CIIFJLBZQFJMPC-SNVBAGLBSA-N -1 0 313.354 -0.308 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)cn1 ZINC000827700315 603773718 /nfs/dbraw/zinc/77/37/18/603773718.db2.gz KDKPGBXDTPZKPG-SECBINFHSA-N -1 0 309.326 -0.042 20 0 DBADRM CC[C@@H](NC(=O)[C@@H](C)CN(C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000826592861 603773787 /nfs/dbraw/zinc/77/37/87/603773787.db2.gz ODLVMFVKWDVOCW-WDEREUQCSA-N -1 0 315.370 -0.014 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000828664380 603776021 /nfs/dbraw/zinc/77/60/21/603776021.db2.gz ZMUGZEKSBPEQJT-RNCFNFMXSA-N -1 0 318.301 -0.131 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)[C@H]2COCCN2C(=O)[O-])CCO1 ZINC000828664377 603776192 /nfs/dbraw/zinc/77/61/92/603776192.db2.gz ZMRNQFKLCKPAKU-VHSXEESVSA-N -1 0 316.310 -0.844 20 0 DBADRM C[S@@](=O)CCCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000829699510 603777457 /nfs/dbraw/zinc/77/74/57/603777457.db2.gz LGHKWENJXWDZDL-OAQYLSRUSA-N -1 0 319.427 -0.055 20 0 DBADRM CNC(=O)Cc1noc(CN2CCC[C@H](CNC(=O)[O-])C2)n1 ZINC000828546229 603780306 /nfs/dbraw/zinc/78/03/06/603780306.db2.gz ANBGOOCZWURWAR-SECBINFHSA-N -1 0 311.342 -0.162 20 0 DBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)[C@H](C)NS(C)(=O)=O ZINC000824182185 603780546 /nfs/dbraw/zinc/78/05/46/603780546.db2.gz IANZYJRVIRYRQA-DTWKUNHWSA-N -1 0 309.388 -0.277 20 0 DBADRM Nc1nc(N)nc(COC(=O)[C@]2(F)CCN(C(=O)[O-])C2)n1 ZINC000831266152 603784318 /nfs/dbraw/zinc/78/43/18/603784318.db2.gz ZJYNNLOIXGRFQH-JTQLQIEISA-N -1 0 300.250 -0.829 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000831273466 603784924 /nfs/dbraw/zinc/78/49/24/603784924.db2.gz QSSQTJSSNGQKDV-UTUOFQBUSA-N -1 0 324.337 -0.776 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)C(C)(C)NC(=O)[O-])CCN2C1=O ZINC000827198360 603785233 /nfs/dbraw/zinc/78/52/33/603785233.db2.gz HZDXRPHFUUGCHN-QMMMGPOBSA-N -1 0 312.326 -0.473 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)C[C@H](C)NC(=O)[O-])CCN2C1=O ZINC000827198366 603785415 /nfs/dbraw/zinc/78/54/15/603785415.db2.gz IAENICYXRJOEKJ-IUCAKERBSA-N -1 0 312.326 -0.473 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)N2CCN3C(=O)NC[C@H]3C2)C1 ZINC000831895367 603785982 /nfs/dbraw/zinc/78/59/82/603785982.db2.gz MXBDCFNQKCPDDH-UFBFGSQYSA-N -1 0 300.290 -0.686 20 0 DBADRM CN(C)c1ncc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])n1C ZINC000828078102 603790244 /nfs/dbraw/zinc/79/02/44/603790244.db2.gz UZOIHAYZLPHFFL-NXEZZACHSA-N -1 0 311.342 -0.785 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828676231 603790504 /nfs/dbraw/zinc/79/05/04/603790504.db2.gz WCVVLHMKCOJCJR-GFCCVEGCSA-N -1 0 320.273 -0.699 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000827481911 603790558 /nfs/dbraw/zinc/79/05/58/603790558.db2.gz YYBCIMUVVRZEAI-JTQLQIEISA-N -1 0 312.319 -0.439 20 0 DBADRM CC[C@@H](NC(=O)COCCNC(=O)[O-])C(=O)N1CCOCC1 ZINC000826600426 603790652 /nfs/dbraw/zinc/79/06/52/603790652.db2.gz JCLWIWZCTWPBKJ-SNVBAGLBSA-N -1 0 317.342 -0.976 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000828602401 603791093 /nfs/dbraw/zinc/79/10/93/603791093.db2.gz VVKBCDQRHXZSKR-RKDXNWHRSA-N -1 0 308.356 -0.191 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000828601739 603791260 /nfs/dbraw/zinc/79/12/60/603791260.db2.gz QPLNFVZAXKAOCA-DTWKUNHWSA-N -1 0 308.356 -0.143 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NCCN(C(=O)[O-])C1CC1 ZINC000828607796 603791752 /nfs/dbraw/zinc/79/17/52/603791752.db2.gz MJRAEVJPUGQTCY-MRVPVSSYSA-N -1 0 308.356 -0.143 20 0 DBADRM C[C@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)C[C@H](C)N1C(=O)[O-] ZINC000826034989 603793382 /nfs/dbraw/zinc/79/33/82/603793382.db2.gz NGWFSVFQNNVLQQ-WDSKDSINSA-N -1 0 311.298 -0.317 20 0 DBADRM C[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)C[C@@H](C)N1C(=O)[O-] ZINC000826034988 603793472 /nfs/dbraw/zinc/79/34/72/603793472.db2.gz NGWFSVFQNNVLQQ-PHDIDXHHSA-N -1 0 311.298 -0.317 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828601156 603793447 /nfs/dbraw/zinc/79/34/47/603793447.db2.gz NCURGSQVBHWVMB-BDAKNGLRSA-N -1 0 308.356 -0.191 20 0 DBADRM C[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)C[C@H](C)N1C(=O)[O-] ZINC000826034987 603793672 /nfs/dbraw/zinc/79/36/72/603793672.db2.gz NGWFSVFQNNVLQQ-OLQVQODUSA-N -1 0 311.298 -0.317 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000830993673 603799143 /nfs/dbraw/zinc/79/91/43/603799143.db2.gz LUMDRFQJUAOYCT-MNOVXSKESA-N -1 0 311.342 -0.105 20 0 DBADRM C[C@H]1CN(C(=O)COC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000825988867 603800038 /nfs/dbraw/zinc/80/00/38/603800038.db2.gz PIXOXHSNXXUVNZ-ZANVPECISA-N -1 0 318.301 -0.131 20 0 DBADRM C[C@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)[O-])C(=O)NC(N)=O ZINC000825598374 603800262 /nfs/dbraw/zinc/80/02/62/603800262.db2.gz KJINJLOSPVHECM-WPRPVWTQSA-N -1 0 323.305 -0.008 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000827248510 603800532 /nfs/dbraw/zinc/80/05/32/603800532.db2.gz CMHCROMPJYJKGB-JMCQJSRRSA-N -1 0 319.289 -0.144 20 0 DBADRM CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])CC2 ZINC000827642493 603801517 /nfs/dbraw/zinc/80/15/17/603801517.db2.gz ITEXOLQNPBQOJE-BBBLOLIVSA-N -1 0 323.353 -0.615 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N(C)CCN1CCCS1(=O)=O ZINC000824130649 603803229 /nfs/dbraw/zinc/80/32/29/603803229.db2.gz ZSJTUDDTIMMZOP-SNVBAGLBSA-N -1 0 321.399 -0.228 20 0 DBADRM COC(=O)NC(C)(C)C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000828714089 603805401 /nfs/dbraw/zinc/80/54/01/603805401.db2.gz PBDGBDCEKWPQFN-QMMMGPOBSA-N -1 0 302.283 -0.014 20 0 DBADRM COCCCn1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])n1 ZINC000828964209 603809261 /nfs/dbraw/zinc/80/92/61/603809261.db2.gz PDGCIRRDIZPVTQ-NXEZZACHSA-N -1 0 312.326 -0.029 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000823568608 603811035 /nfs/dbraw/zinc/81/10/35/603811035.db2.gz QSBBQDHMNQAIEN-PSASIEDQSA-N -1 0 316.335 -0.228 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000828551733 603816542 /nfs/dbraw/zinc/81/65/42/603816542.db2.gz GIKWMZNFIIDCEV-JGVFFNPUSA-N -1 0 301.299 -0.094 20 0 DBADRM CC(C)c1nncn1CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000824511111 603818554 /nfs/dbraw/zinc/81/85/54/603818554.db2.gz OEOZXZRALVCFLP-NXEZZACHSA-N -1 0 311.342 -0.369 20 0 DBADRM NS(=O)(=O)CCCOC(=O)c1csc(CNC(=O)[O-])n1 ZINC000831245154 603822976 /nfs/dbraw/zinc/82/29/76/603822976.db2.gz GNCONRGOGFZWBW-UHFFFAOYSA-N -1 0 323.352 -0.254 20 0 DBADRM CNC(=O)CCOC1CCN(C(=O)[C@@H](C)NC(=O)[O-])CC1 ZINC000828538498 603823372 /nfs/dbraw/zinc/82/33/72/603823372.db2.gz XMADUOBURUPOJY-SECBINFHSA-N -1 0 301.343 -0.214 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)NCCCNC(=O)C1CCC1 ZINC000831534419 603824077 /nfs/dbraw/zinc/82/40/77/603824077.db2.gz ZIBWPQDDYDADDL-UHFFFAOYSA-N -1 0 313.354 -0.212 20 0 DBADRM COC1(C(=O)N[C@H](C)C(=O)N(C)C)CCN(C(=O)[O-])CC1 ZINC000739798826 603824167 /nfs/dbraw/zinc/82/41/67/603824167.db2.gz LEKSURYGFYGIEN-SECBINFHSA-N -1 0 301.343 -0.262 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000831273981 603824369 /nfs/dbraw/zinc/82/43/69/603824369.db2.gz UUBDASFWESSPDH-FXQIFTODSA-N -1 0 312.244 -0.111 20 0 DBADRM C[C@H](OC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)Nc1ncccn1 ZINC000825550750 603827592 /nfs/dbraw/zinc/82/75/92/603827592.db2.gz CDSWIVBINYYSPZ-DJLDLDEBSA-N -1 0 324.293 -0.540 20 0 DBADRM C[C@H](OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)Nc1ncccn1 ZINC000825550752 603827683 /nfs/dbraw/zinc/82/76/83/603827683.db2.gz CDSWIVBINYYSPZ-YIZRAAEISA-N -1 0 324.293 -0.540 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=S)NCCS(C)(=O)=O)C1 ZINC000827875962 603828575 /nfs/dbraw/zinc/82/85/75/603828575.db2.gz LZFSJTRIYOMKIB-MRVPVSSYSA-N -1 0 309.413 -0.410 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=S)NCCNS(C)(=O)=O)C1 ZINC000827876087 603828692 /nfs/dbraw/zinc/82/86/92/603828692.db2.gz PLABPUSEUSROMG-MRVPVSSYSA-N -1 0 324.428 -0.906 20 0 DBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=S)NCCN2CCOCC2)C1 ZINC000827875834 603828764 /nfs/dbraw/zinc/82/87/64/603828764.db2.gz JBTQXDKCSHQZMG-LLVKDONJSA-N -1 0 316.427 -0.123 20 0 DBADRM CCCCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000826836420 603830834 /nfs/dbraw/zinc/83/08/34/603830834.db2.gz KORSCHIALIOPCS-AEJSXWLSSA-N -1 0 302.327 -0.052 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000831282134 603830808 /nfs/dbraw/zinc/83/08/08/603830808.db2.gz BMSYZEBFALMKLG-GMSGAONNSA-N -1 0 312.244 -0.109 20 0 DBADRM CN1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1=O ZINC000828487621 603831130 /nfs/dbraw/zinc/83/11/30/603831130.db2.gz JBLPYMFLZNEOTL-UHFFFAOYSA-N -1 0 312.370 -0.639 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)OC[C@H]1CCN(C(=O)[O-])C1 ZINC000825697785 603835387 /nfs/dbraw/zinc/83/53/87/603835387.db2.gz SZQAYKQWKDBIHC-QMMMGPOBSA-N -1 0 313.310 -0.140 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCCOC1CCOCC1 ZINC000831681613 603836542 /nfs/dbraw/zinc/83/65/42/603836542.db2.gz VZZVOTQEEIXJEJ-CMPLNLGQSA-N -1 0 316.354 -0.199 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)NCCNC(=O)[O-])CC2 ZINC000829049281 603842405 /nfs/dbraw/zinc/84/24/05/603842405.db2.gz BWYMQYROQWERQC-MRVPVSSYSA-N -1 0 312.330 -0.694 20 0 DBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000831260269 603844596 /nfs/dbraw/zinc/84/45/96/603844596.db2.gz LZUMHYHMWNPSHO-WDSKDSINSA-N -1 0 311.298 -0.364 20 0 DBADRM CN(C(=O)[O-])[C@H]1CCN(CC(=O)NCC(=O)NC(C)(C)C)C1 ZINC000827883172 603844816 /nfs/dbraw/zinc/84/48/16/603844816.db2.gz XEXGRXCVRFRCIB-JTQLQIEISA-N -1 0 314.386 -0.299 20 0 DBADRM CO[C@H]1CCN(C(=O)NCCN2CCN(C(=O)[O-])CC2)C1 ZINC000829061043 603846453 /nfs/dbraw/zinc/84/64/53/603846453.db2.gz ICWAUFWHIJIESM-NSHDSACASA-N -1 0 300.359 -0.288 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000828552223 603847440 /nfs/dbraw/zinc/84/74/40/603847440.db2.gz NTEHRTVXGMRVND-FXQIFTODSA-N -1 0 301.299 -0.190 20 0 DBADRM O=C([O-])N1CC[C@](F)(C(=O)NCCN2C(=O)CSC2=O)C1 ZINC000831903399 603851363 /nfs/dbraw/zinc/85/13/63/603851363.db2.gz WNSMXKZLLXGWRR-LLVKDONJSA-N -1 0 319.314 -0.110 20 0 DBADRM COC(=O)N1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000828705679 603853193 /nfs/dbraw/zinc/85/31/93/603853193.db2.gz YDFGIJQAEDGVBN-LBPRGKRZSA-N -1 0 303.290 -0.011 20 0 DBADRM CCN(CCNC(=O)N1CCO[C@@H](CC(=O)OC)C1)C(=O)[O-] ZINC000827140798 603853909 /nfs/dbraw/zinc/85/39/09/603853909.db2.gz DOGIHAPUTLKWED-JTQLQIEISA-N -1 0 317.342 -0.040 20 0 DBADRM CNC(=O)NC(=O)COC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000828551961 603867125 /nfs/dbraw/zinc/86/71/25/603867125.db2.gz JZORIASTNAVPIT-JGVFFNPUSA-N -1 0 301.299 -0.188 20 0 DBADRM O=C(CC1CN(C(=O)[O-])C1)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000831356093 603871117 /nfs/dbraw/zinc/87/11/17/603871117.db2.gz VFGPMBOIOPWYGN-YMTOWFKASA-N -1 0 324.337 -0.519 20 0 DBADRM O=C([O-])NC[C@H](NC(=O)N1CCN2C(=O)NC[C@@H]2C1)C1CC1 ZINC000832420772 603871952 /nfs/dbraw/zinc/87/19/52/603871952.db2.gz HEXIZEBRNVEHDA-ZJUUUORDSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1nc(C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)nn1-c1nc[nH]n1 ZINC000830703486 603876755 /nfs/dbraw/zinc/87/67/55/603876755.db2.gz FRGXZMTUZSXATB-ZETCQYMHSA-N -1 0 320.313 -0.482 20 0 DBADRM CC(C)(CNC(=S)NCCNS(C)(=O)=O)NC(=O)[O-] ZINC000824006172 603878480 /nfs/dbraw/zinc/87/84/80/603878480.db2.gz ZHRRCZPUSRRVCR-UHFFFAOYSA-N -1 0 312.417 -0.954 20 0 DBADRM CC(C)(CNC(=S)NCCN1CCOCC1)NC(=O)[O-] ZINC000824006067 603878753 /nfs/dbraw/zinc/87/87/53/603878753.db2.gz VAEHGFCLPIGWGD-UHFFFAOYSA-N -1 0 304.416 -0.171 20 0 DBADRM C[C@@]1(C(=O)NCC2(C(N)=O)CCOCC2)CCN(C(=O)[O-])C1 ZINC000825663280 603879005 /nfs/dbraw/zinc/87/90/05/603879005.db2.gz NKZCMSWXKUIUNC-CYBMUJFWSA-N -1 0 313.354 -0.225 20 0 DBADRM CO[C@H]1C[C@H](NC(=O)CN2CCN(C(=O)[O-])CC2=O)C1(C)C ZINC000828873289 603883923 /nfs/dbraw/zinc/88/39/23/603883923.db2.gz AQBNTASWGWTLML-UWVGGRQHSA-N -1 0 313.354 -0.262 20 0 DBADRM COCC(=O)N1CCN(C(=O)[C@]2(C)CCN(C(=O)[O-])C2)CC1 ZINC000828880301 603886690 /nfs/dbraw/zinc/88/66/90/603886690.db2.gz IDSLVZXVLFCRRG-CQSZACIVSA-N -1 0 313.354 -0.306 20 0 DBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCCNC(=O)[O-] ZINC000830949906 603888853 /nfs/dbraw/zinc/88/88/53/603888853.db2.gz XJIZQVCUQZINCS-UHFFFAOYSA-N -1 0 319.339 -0.164 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000825014841 603891667 /nfs/dbraw/zinc/89/16/67/603891667.db2.gz AWOGZURIVHRBPY-KCJUWKMLSA-N -1 0 310.347 -0.030 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC(NC(=O)[O-])CC1 ZINC000828670952 603893976 /nfs/dbraw/zinc/89/39/76/603893976.db2.gz NYNKUYDGOQJLCN-UHFFFAOYSA-N -1 0 323.371 -0.542 20 0 DBADRM CSc1nn(C)c(NC(=O)CN(C)C(=O)[O-])c1C(N)=O ZINC000829784261 603896005 /nfs/dbraw/zinc/89/60/05/603896005.db2.gz ULMFOVCQISAMNV-UHFFFAOYSA-N -1 0 301.328 -0.211 20 0 DBADRM COC(C)(C)CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000828823495 603901395 /nfs/dbraw/zinc/90/13/95/603901395.db2.gz BRQYSOOXMLEKEF-UHFFFAOYSA-N -1 0 316.358 -0.467 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NC[C@H](O)C2CCOCC2)C1 ZINC000831894187 603903213 /nfs/dbraw/zinc/90/32/13/603903213.db2.gz GOUWXAORTOAHHZ-GWCFXTLKSA-N -1 0 304.318 -0.018 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCO1 ZINC000827300501 603906575 /nfs/dbraw/zinc/90/65/75/603906575.db2.gz VULPISQAQNMLBL-ZANVPECISA-N -1 0 318.301 -0.131 20 0 DBADRM O=C([O-])N1CCCN(C(=O)NCc2nnnn2C2CC2)CC1 ZINC000832010741 603908946 /nfs/dbraw/zinc/90/89/46/603908946.db2.gz VWXGFJBCDXIPPI-UHFFFAOYSA-N -1 0 309.330 -0.097 20 0 DBADRM O=C([O-])N[C@H]1CCCN(C(=O)NCc2nnnn2C2CC2)C1 ZINC000832365424 603909203 /nfs/dbraw/zinc/90/92/03/603909203.db2.gz IZVLFOYEROBWKQ-QMMMGPOBSA-N -1 0 309.330 -0.050 20 0 DBADRM CC(C)N(C)S(=O)(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000824329527 603909617 /nfs/dbraw/zinc/90/96/17/603909617.db2.gz HHFAKXQONNJQOM-UHFFFAOYSA-N -1 0 322.431 -0.153 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000825509506 603910169 /nfs/dbraw/zinc/91/01/69/603910169.db2.gz QJFDPBTXJATBSK-XHNCKOQMSA-N -1 0 307.372 -0.523 20 0 DBADRM CCN(CC)S(=O)(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000827045821 603911077 /nfs/dbraw/zinc/91/10/77/603911077.db2.gz LTVDOUNSULXFRW-UHFFFAOYSA-N -1 0 322.431 -0.152 20 0 DBADRM COCCS(=O)(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000829017621 603912162 /nfs/dbraw/zinc/91/21/62/603912162.db2.gz BRMCEFODKSOFBS-UHFFFAOYSA-N -1 0 309.388 -0.762 20 0 DBADRM CC(C)N1C(=O)C(=O)N(CN2CC[C@@H](N(C)C(=O)[O-])C2)C1=O ZINC000824352281 603918788 /nfs/dbraw/zinc/91/87/88/603918788.db2.gz YBZRHRXKQCBAEO-SECBINFHSA-N -1 0 312.326 -0.173 20 0 DBADRM Cc1cc(NC(=O)CN2CCN(C3CN(C(=O)[O-])C3)CC2)no1 ZINC000830103824 603920087 /nfs/dbraw/zinc/92/00/87/603920087.db2.gz NXDMEFAMIJPUSQ-UHFFFAOYSA-N -1 0 323.353 -0.099 20 0 DBADRM CC(C)[C@H](CCN(C)CN1C(=O)C(=O)N(C)C1=O)NC(=O)[O-] ZINC000824098581 603920748 /nfs/dbraw/zinc/92/07/48/603920748.db2.gz JVFPAWOMUJHHRM-VIFPVBQESA-N -1 0 314.342 -0.021 20 0 DBADRM C[C@@]1(C(=O)N2CCCN(CC(N)=O)CC2)CCN(C(=O)[O-])C1 ZINC000825650078 603925964 /nfs/dbraw/zinc/92/59/64/603925964.db2.gz CNTAZTPPFBSCSI-CQSZACIVSA-N -1 0 312.370 -0.604 20 0 DBADRM NC(=O)c1ccc(CNC(=O)[C@H]2COCCN2C(=O)[O-])cn1 ZINC000831223141 603927995 /nfs/dbraw/zinc/92/79/95/603927995.db2.gz XJQDPDKTKLNJIW-SNVBAGLBSA-N -1 0 308.294 -0.825 20 0 DBADRM COC(=O)CNC(=O)COC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000828683750 603936678 /nfs/dbraw/zinc/93/66/78/603936678.db2.gz NEXVJRAUYDYWIL-MRVPVSSYSA-N -1 0 302.283 -0.649 20 0 DBADRM Cc1nncn1CCNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000830892842 603943283 /nfs/dbraw/zinc/94/32/83/603943283.db2.gz GBKLHAYATOVAOK-LLVKDONJSA-N -1 0 311.342 -0.138 20 0 DBADRM Cc1nncn1CCNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000830892843 603943453 /nfs/dbraw/zinc/94/34/53/603943453.db2.gz GBKLHAYATOVAOK-NSHDSACASA-N -1 0 311.342 -0.138 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCN(C(=O)[O-])CC1(C)C ZINC000825510480 603943996 /nfs/dbraw/zinc/94/39/96/603943996.db2.gz ZPUHBNRGNRJNNE-QMMMGPOBSA-N -1 0 307.372 -0.475 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@@]2(C)CCN(C(=O)[O-])C2)CCO1 ZINC000823579014 603947008 /nfs/dbraw/zinc/94/70/08/603947008.db2.gz CYZVNSBMTRDDTE-RISCZKNCSA-N -1 0 313.354 -0.260 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000828683126 603948708 /nfs/dbraw/zinc/94/87/08/603948708.db2.gz GXLAWGVUEUMBKS-IUCAKERBSA-N -1 0 316.310 -0.260 20 0 DBADRM CC[C@@H](OC)C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000826633311 603959190 /nfs/dbraw/zinc/95/91/90/603959190.db2.gz WHFBCQOHWKAKPC-MRVPVSSYSA-N -1 0 312.330 -0.032 20 0 DBADRM C[C@@]1(C(=O)NCCOCCS(C)(=O)=O)CCN(C(=O)[O-])C1 ZINC000825662816 603960812 /nfs/dbraw/zinc/96/08/12/603960812.db2.gz IFIZYJDJIVOOBC-GFCCVEGCSA-N -1 0 322.383 -0.446 20 0 DBADRM CCCC[C@H](CNC(=O)[O-])NC(=O)CN1CCCS1(=O)=O ZINC000826780422 603961800 /nfs/dbraw/zinc/96/18/00/603961800.db2.gz GTZBYOMANPAFSK-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM O=C([O-])NCCC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000832599307 603963548 /nfs/dbraw/zinc/96/35/48/603963548.db2.gz JPBCBPYJYCGDNQ-UHFFFAOYSA-N -1 0 319.383 -0.283 20 0 DBADRM Cn1cc(C[C@@H]2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])C2)cn1 ZINC000831000240 603963891 /nfs/dbraw/zinc/96/38/91/603963891.db2.gz VXVCHGFPNBYJLY-CYZMBNFOSA-N -1 0 322.365 -0.076 20 0 DBADRM Cn1cc(C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])C2)cn1 ZINC000831000242 603964084 /nfs/dbraw/zinc/96/40/84/603964084.db2.gz VXVCHGFPNBYJLY-UHTWSYAYSA-N -1 0 322.365 -0.076 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000824042666 603966914 /nfs/dbraw/zinc/96/69/14/603966914.db2.gz ARXVRCOEVBQNLE-UHFFFAOYSA-N -1 0 313.354 -0.308 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)CCCNC(=O)[O-])CC2 ZINC000829049707 603968883 /nfs/dbraw/zinc/96/88/83/603968883.db2.gz JTINYJSZNZHMAP-VIFPVBQESA-N -1 0 311.342 -0.097 20 0 DBADRM CCNC(=O)N1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000827250533 603971346 /nfs/dbraw/zinc/97/13/46/603971346.db2.gz SWECYOGIKNAJPR-CYBMUJFWSA-N -1 0 316.333 -0.048 20 0 DBADRM C[C@@H](CC(=O)OCC(=O)N1CCCC[C@H]1C(N)=O)NC(=O)[O-] ZINC000824717682 603975976 /nfs/dbraw/zinc/97/59/76/603975976.db2.gz BDUMTVAKSCPTDU-IUCAKERBSA-N -1 0 315.326 -0.558 20 0 DBADRM CCCC[C@@H](CNC(=O)[O-])NC(=O)CN1CCC(=O)NC1=O ZINC000826780254 603977259 /nfs/dbraw/zinc/97/72/59/603977259.db2.gz FUZAQJCSIWTREM-VIFPVBQESA-N -1 0 314.342 -0.129 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000831045959 603977921 /nfs/dbraw/zinc/97/79/21/603977921.db2.gz GFQYCGZUWUPNCW-SNVBAGLBSA-N -1 0 323.353 -0.100 20 0 DBADRM CCCC[C@H](CNC(=O)[O-])NC(=O)CN(C)S(C)(=O)=O ZINC000826781868 603979830 /nfs/dbraw/zinc/97/98/30/603979830.db2.gz SLTWAKNTTKDSDP-SECBINFHSA-N -1 0 309.388 -0.180 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828970879 603980194 /nfs/dbraw/zinc/98/01/94/603980194.db2.gz ILEBBWPTRVXRHQ-MNOVXSKESA-N -1 0 315.370 -0.014 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828970881 603980217 /nfs/dbraw/zinc/98/02/17/603980217.db2.gz ILEBBWPTRVXRHQ-WDEREUQCSA-N -1 0 315.370 -0.014 20 0 DBADRM O=C([O-])N1CC(OCC(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000831537859 603980526 /nfs/dbraw/zinc/98/05/26/603980526.db2.gz OWTBIBLVGNGSDN-UHFFFAOYSA-N -1 0 318.293 -0.020 20 0 DBADRM O=C([O-])N1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000832018573 603984135 /nfs/dbraw/zinc/98/41/35/603984135.db2.gz NRTRFZPQNCKFDL-VIFPVBQESA-N -1 0 307.310 -0.415 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000823575205 603989073 /nfs/dbraw/zinc/98/90/73/603989073.db2.gz NTFGMGFHUGXSCK-NSHDSACASA-N -1 0 313.354 -0.260 20 0 DBADRM CCN(C(=O)[C@@]1(F)CCN(C(=O)[O-])C1)[C@@H]1CC(=O)NC1=O ZINC000826969660 603990885 /nfs/dbraw/zinc/99/08/85/603990885.db2.gz IBBKXZNOUVHULX-JMCQJSRRSA-N -1 0 301.274 -0.658 20 0 DBADRM C[C@@H](CC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)NC(=O)[O-] ZINC000824598625 603996780 /nfs/dbraw/zinc/99/67/80/603996780.db2.gz FYFREGPHFAQXFF-VIFPVBQESA-N -1 0 309.326 -0.359 20 0 DBADRM C[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)[C@@H](C)N1CCOCC1 ZINC000825125765 604001061 /nfs/dbraw/zinc/00/10/61/604001061.db2.gz BPIWCPJEFODERX-GHMZBOCLSA-N -1 0 315.370 -0.409 20 0 DBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NCc1ccc(C(N)=O)nc1 ZINC000824961319 604003078 /nfs/dbraw/zinc/00/30/78/604003078.db2.gz ZQAAHOLEDGNCLK-MRVPVSSYSA-N -1 0 309.326 -0.022 20 0 DBADRM NS(=O)(=O)CCNC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000831244736 604003188 /nfs/dbraw/zinc/00/31/88/604003188.db2.gz CLMDXBZSZCZADQ-BDAKNGLRSA-N -1 0 322.387 -0.600 20 0 DBADRM COC[C@@](C)(O)CNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000828896686 604003311 /nfs/dbraw/zinc/00/33/11/604003311.db2.gz LIVBXRNMKPLWES-MFKMUULPSA-N -1 0 304.343 -0.341 20 0 DBADRM NC(=O)NC(=O)CCNC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000831199738 604005154 /nfs/dbraw/zinc/00/51/54/604005154.db2.gz IAOWXRTYMQYXGA-UHFFFAOYSA-N -1 0 300.315 -0.484 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828971032 604007747 /nfs/dbraw/zinc/00/77/47/604007747.db2.gz MFIRVHRLJLEATL-CYBMUJFWSA-N -1 0 319.333 -0.358 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)CC1CN(C(=O)[O-])C1)CC2 ZINC000829049885 604008046 /nfs/dbraw/zinc/00/80/46/604008046.db2.gz MBTKSJZDLGNIMF-SNVBAGLBSA-N -1 0 323.353 -0.145 20 0 DBADRM CCc1nc2n(n1)C[C@H](NC(=O)COC1CN(C(=O)[O-])C1)CC2 ZINC000827642584 604009033 /nfs/dbraw/zinc/00/90/33/604009033.db2.gz JWEXAYMEIOZGEI-SECBINFHSA-N -1 0 323.353 -0.350 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCC[C@@H](Cn3cncn3)C2)C1 ZINC000831852964 604015803 /nfs/dbraw/zinc/01/58/03/604015803.db2.gz YNQCNNVBGMULII-LLVKDONJSA-N -1 0 323.353 -0.105 20 0 DBADRM COCCOC[C@@H]1CCN(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000829002016 604020100 /nfs/dbraw/zinc/02/01/00/604020100.db2.gz KECVDFSGLMFENA-LLVKDONJSA-N -1 0 316.354 -0.123 20 0 DBADRM NC(=O)c1nccnc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000831239069 604023877 /nfs/dbraw/zinc/02/38/77/604023877.db2.gz CNBDSGVDUWSJKI-BDAKNGLRSA-N -1 0 319.321 -0.068 20 0 DBADRM CC[C@H](O)CCCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000826625169 604024105 /nfs/dbraw/zinc/02/41/05/604024105.db2.gz BIPRRWKSQNKABU-JTQLQIEISA-N -1 0 301.343 -0.524 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000825267516 604024818 /nfs/dbraw/zinc/02/48/18/604024818.db2.gz YYHFVVXXPSLBCE-RKDXNWHRSA-N -1 0 312.326 -0.267 20 0 DBADRM CC1(C)NC(=O)N(CCCn2nnnc2CNC(=O)[O-])C1=O ZINC000825739834 604031007 /nfs/dbraw/zinc/03/10/07/604031007.db2.gz PFDSBQTZABNARV-UHFFFAOYSA-N -1 0 311.302 -0.839 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCN(C(=O)[O-])CC1 ZINC000830949895 604031655 /nfs/dbraw/zinc/03/16/55/604031655.db2.gz XHSHBZXUVBSKNO-UHFFFAOYSA-N -1 0 317.323 -0.329 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000830948939 604039776 /nfs/dbraw/zinc/03/97/76/604039776.db2.gz QYCLVCCYMBDWOF-SSDOTTSWSA-N -1 0 317.323 -0.282 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNS(=O)(=O)CCCF)CC1 ZINC000832024108 604046282 /nfs/dbraw/zinc/04/62/82/604046282.db2.gz FBBSMNOUDVKDSJ-UHFFFAOYSA-N -1 0 311.335 -0.912 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000825170688 604054153 /nfs/dbraw/zinc/05/41/53/604054153.db2.gz CSXBKTIAQLBJFL-ZJUUUORDSA-N -1 0 321.399 -0.780 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)C(=O)N1CCNC1=O ZINC000825551724 604055287 /nfs/dbraw/zinc/05/52/87/604055287.db2.gz JWJSANFXDCBPIB-YIZRAAEISA-N -1 0 313.310 -0.094 20 0 DBADRM CNC(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000828552266 604055907 /nfs/dbraw/zinc/05/59/07/604055907.db2.gz PFPLHUYDGIWVOV-MRVPVSSYSA-N -1 0 302.356 -0.477 20 0 DBADRM CC(C)(CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])S(C)(=O)=O ZINC000823900841 604065160 /nfs/dbraw/zinc/06/51/60/604065160.db2.gz XOHOEQFUYHLAPQ-JGVFFNPUSA-N -1 0 308.356 -0.961 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1CCC[C@H]1CNC(=O)[O-] ZINC000827313881 604065487 /nfs/dbraw/zinc/06/54/87/604065487.db2.gz WJOOJPWAQWCEOL-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OC[C@@H]1CCCN1C(=O)[O-] ZINC000825514174 604066017 /nfs/dbraw/zinc/06/60/17/604066017.db2.gz DYZGFEZJICPITP-INTQDDNPSA-N -1 0 314.338 -0.052 20 0 DBADRM C[C@@H](NC(=O)CN1CCC[C@H]1CNC(=O)[O-])C(=O)N(C)C ZINC000825122891 604068608 /nfs/dbraw/zinc/06/86/08/604068608.db2.gz YJDANGKZJJKTIQ-ZJUUUORDSA-N -1 0 300.359 -0.689 20 0 DBADRM C[C@H](CCO)CNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000824810557 604076454 /nfs/dbraw/zinc/07/64/54/604076454.db2.gz RAXULZUBTXUQGR-LLVKDONJSA-N -1 0 302.375 -0.400 20 0 DBADRM CC(C)[C@H](OC(=O)CC1CN(C(=O)[O-])C1)C(=O)NC(N)=O ZINC000824149903 604087053 /nfs/dbraw/zinc/08/70/53/604087053.db2.gz JSFVNOYSDUGFSJ-VIFPVBQESA-N -1 0 301.299 -0.251 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000737541051 604087845 /nfs/dbraw/zinc/08/78/45/604087845.db2.gz UNRFAZBSLNHCQQ-NSHDSACASA-N -1 0 300.359 -0.831 20 0 DBADRM C[C@H](NC(=O)COC(=O)CC1CN(C(=O)[O-])C1)C(=O)N(C)C ZINC000825121343 604098484 /nfs/dbraw/zinc/09/84/84/604098484.db2.gz LGWUYUOTOBBXSJ-QMMMGPOBSA-N -1 0 315.326 -0.878 20 0 DBADRM C[C@H](OC(=O)[C@@]1(C)CCN(C(=O)[O-])C1)C(=O)N1CCNC1=O ZINC000825535366 604106320 /nfs/dbraw/zinc/10/63/20/604106320.db2.gz KVWHDPMQCPPHBV-SDBXPKJASA-N -1 0 313.310 -0.140 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000828675218 604108078 /nfs/dbraw/zinc/10/80/78/604108078.db2.gz LUAZMPIGFXGWNZ-ZDUSSCGKSA-N -1 0 316.310 -0.401 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCCc2ccncc2)C(=O)C1 ZINC000831488805 604108144 /nfs/dbraw/zinc/10/81/44/604108144.db2.gz KZXUBWAZPBTVEJ-UHFFFAOYSA-N -1 0 306.322 -0.438 20 0 DBADRM C[C@H](CNC(=O)NCCN(C)C(=O)[O-])C[NH+]1CCN(C)CC1 ZINC000824940090 604110527 /nfs/dbraw/zinc/11/05/27/604110527.db2.gz TZZRYHVMLNKCKX-GFCCVEGCSA-N -1 0 315.418 -0.221 20 0 DBADRM C[C@@H](CNC(=O)NCCN(C)C(=O)[O-])C[NH+]1CCN(C)CC1 ZINC000824940091 604110626 /nfs/dbraw/zinc/11/06/26/604110626.db2.gz TZZRYHVMLNKCKX-LBPRGKRZSA-N -1 0 315.418 -0.221 20 0 DBADRM COC(=O)CNC(=O)COC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000828683379 604111883 /nfs/dbraw/zinc/11/18/83/604111883.db2.gz JBEOPCVGCNIQOK-LBPRGKRZSA-N -1 0 302.283 -0.791 20 0 DBADRM C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCN1C(=O)[O-] ZINC000825970313 604113713 /nfs/dbraw/zinc/11/37/13/604113713.db2.gz UUMSSQQDZCQKGM-VHSXEESVSA-N -1 0 321.337 -0.027 20 0 DBADRM CC(C)(CNC(=O)NCCN1C(=O)CCC1=O)NC(=O)[O-] ZINC000823936606 604134123 /nfs/dbraw/zinc/13/41/23/604134123.db2.gz JXCWUOUAAZJGAN-UHFFFAOYSA-N -1 0 300.315 -0.519 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000825016289 604134133 /nfs/dbraw/zinc/13/41/33/604134133.db2.gz PKZKJPDEZQQLIO-DTWKUNHWSA-N -1 0 307.372 -0.139 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1cccn(C)c1=O)NC(=O)[O-] ZINC000824110362 604144949 /nfs/dbraw/zinc/14/49/49/604144949.db2.gz IMPQXCVBTSGDBL-SNVBAGLBSA-N -1 0 324.337 -0.268 20 0 DBADRM Cn1cccc(NC(=O)C(=O)N2CCC[C@@H](NC(=O)[O-])C2)c1=O ZINC000831023060 604145195 /nfs/dbraw/zinc/14/51/95/604145195.db2.gz WVJGTYAUBUMWCW-SECBINFHSA-N -1 0 322.321 -0.418 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)C(=O)Nc1cccn(C)c1=O ZINC000828292874 604145913 /nfs/dbraw/zinc/14/59/13/604145913.db2.gz GTYSVNSRGFZGKF-UHFFFAOYSA-N -1 0 310.310 -0.560 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccn(C)c2=O)CCN1C(=O)[O-] ZINC000825962162 604147373 /nfs/dbraw/zinc/14/73/73/604147373.db2.gz OIVGDWPUJXKJDR-SECBINFHSA-N -1 0 322.321 -0.466 20 0 DBADRM CN(CCCNC(=O)C(=O)Nc1cccn(C)c1=O)C(=O)[O-] ZINC000828284873 604147464 /nfs/dbraw/zinc/14/74/64/604147464.db2.gz HSZWBKRLPHHOCW-UHFFFAOYSA-N -1 0 310.310 -0.560 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000824830165 604159055 /nfs/dbraw/zinc/15/90/55/604159055.db2.gz CDOMUKUZXHCITO-ZJUUUORDSA-N -1 0 321.399 -0.241 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000824830154 604159344 /nfs/dbraw/zinc/15/93/44/604159344.db2.gz CDOMUKUZXHCITO-NXEZZACHSA-N -1 0 321.399 -0.241 20 0 DBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000824831871 604169228 /nfs/dbraw/zinc/16/92/28/604169228.db2.gz HGMQMJDYXAVBKF-IUCAKERBSA-N -1 0 307.372 -0.488 20 0 DBADRM COC(=O)CNC(=O)CN1CCC[C@H](C)[C@@H]1CNC(=O)[O-] ZINC000828683155 604170288 /nfs/dbraw/zinc/17/02/88/604170288.db2.gz HGMSJTCBMWVZAI-UWVGGRQHSA-N -1 0 301.343 -0.356 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC000825212411 604171916 /nfs/dbraw/zinc/17/19/16/604171916.db2.gz VJMAWRKMGTZEGS-UWVGGRQHSA-N -1 0 321.399 -0.228 20 0 DBADRM O=C([O-])N1CCCC[C@@H](NC(=O)N2CCO[C@H](CO)C2)C1 ZINC000832010713 604173384 /nfs/dbraw/zinc/17/33/84/604173384.db2.gz VOQVOPYDPIXSOB-MNOVXSKESA-N -1 0 301.343 -0.078 20 0 DBADRM O=C([O-])N1CCCC[C@H](NC(=O)N2CCO[C@@H](CO)C2)C1 ZINC000832010716 604173493 /nfs/dbraw/zinc/17/34/93/604173493.db2.gz VOQVOPYDPIXSOB-WDEREUQCSA-N -1 0 301.343 -0.078 20 0 DBADRM O=C([O-])N1CCCC[C@@H](NC(=O)N2CCO[C@@H](CO)C2)C1 ZINC000832010711 604173522 /nfs/dbraw/zinc/17/35/22/604173522.db2.gz VOQVOPYDPIXSOB-GHMZBOCLSA-N -1 0 301.343 -0.078 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000830993810 604175967 /nfs/dbraw/zinc/17/59/67/604175967.db2.gz MTDNRCJCQOFNDY-UHFFFAOYSA-N -1 0 323.353 -0.851 20 0 DBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)N1CCO[C@@H](CO)C1 ZINC000832465976 604176611 /nfs/dbraw/zinc/17/66/11/604176611.db2.gz IPUSEJTTYHMFPL-HBNTYKKESA-N -1 0 301.343 -0.175 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)CN(C)C(=O)[O-])CCO1 ZINC000823579431 604179140 /nfs/dbraw/zinc/17/91/40/604179140.db2.gz IBRVQQVKVBFCNJ-GXSJLCMTSA-N -1 0 301.343 -0.404 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])CCO1 ZINC000831178988 604181481 /nfs/dbraw/zinc/18/14/81/604181481.db2.gz PCMSDENXUJZRIY-UTLUCORTSA-N -1 0 314.342 -0.682 20 0 DBADRM C[C@@]1(C(=O)O[C@H]2CC(=O)N(CC(N)=O)C2)CCN(C(=O)[O-])C1 ZINC000825684451 604188062 /nfs/dbraw/zinc/18/80/62/604188062.db2.gz GYVRTHKCOURVJO-ISVAXAHUSA-N -1 0 313.310 -0.994 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])n(C)n1 ZINC000830089269 604194978 /nfs/dbraw/zinc/19/49/78/604194978.db2.gz GEGXMSLMWFVBQL-SECBINFHSA-N -1 0 309.326 -0.074 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)OC[C@@H](C)NC(=O)[O-] ZINC000823575484 604199193 /nfs/dbraw/zinc/19/91/93/604199193.db2.gz RPCDCNRCMVXNJB-PSASIEDQSA-N -1 0 315.326 -0.687 20 0 DBADRM CCc1[nH]n(C)c2nnc(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])c1-2 ZINC000827641592 604200911 /nfs/dbraw/zinc/20/09/11/604200911.db2.gz AJFICNUOWMDYBQ-HTRCEHHLSA-N -1 0 322.325 -0.090 20 0 DBADRM CCc1[nH]n(C)c2nnc(NC(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])c1-2 ZINC000827641595 604200951 /nfs/dbraw/zinc/20/09/51/604200951.db2.gz AJFICNUOWMDYBQ-XPUUQOCRSA-N -1 0 322.325 -0.090 20 0 DBADRM CN(C[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(C)n1)C(=O)[O-] ZINC000828187027 604203370 /nfs/dbraw/zinc/20/33/70/604203370.db2.gz YWUUACIBQYJQBF-VIFPVBQESA-N -1 0 309.326 -0.041 20 0 DBADRM C[C@H](COC(=O)[C@H]1CCCCN1S(C)(=O)=O)NC(=O)[O-] ZINC000824986243 604207070 /nfs/dbraw/zinc/20/70/70/604207070.db2.gz FZUXCJKNIUVPTP-RKDXNWHRSA-N -1 0 308.356 0.000 20 0 DBADRM C[C@H](COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)NC(=O)[O-] ZINC000824989420 604208666 /nfs/dbraw/zinc/20/86/66/604208666.db2.gz YISGDDFRFGISCX-WTSVBCDHSA-N -1 0 311.294 -0.704 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000825178373 604212762 /nfs/dbraw/zinc/21/27/62/604212762.db2.gz RRHOOGMWACXDLN-UPFKWVMWSA-N -1 0 312.326 -0.521 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000825178372 604212786 /nfs/dbraw/zinc/21/27/86/604212786.db2.gz RRHOOGMWACXDLN-HHURGBBESA-N -1 0 312.326 -0.521 20 0 DBADRM NS(=O)(=O)c1cccnc1N1CCC[C@H](NC(=O)[O-])C1 ZINC000738446783 604213448 /nfs/dbraw/zinc/21/34/48/604213448.db2.gz RAHCBXGDFAXWGQ-QMMMGPOBSA-N -1 0 300.340 -0.035 20 0 DBADRM C[C@@H](NC(=O)[O-])C(=O)O[C@@H]1CCN(C2CCOCC2)C1=O ZINC000825185783 604225505 /nfs/dbraw/zinc/22/55/05/604225505.db2.gz IOQFZRYPXBROCP-PSASIEDQSA-N -1 0 300.311 -0.034 20 0 DBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])OCC(=O)N1CCC1 ZINC000831481087 604228240 /nfs/dbraw/zinc/22/82/40/604228240.db2.gz VRXLMDUDNOYKEM-SNVBAGLBSA-N -1 0 300.311 -0.079 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000828671273 604236661 /nfs/dbraw/zinc/23/66/61/604236661.db2.gz SCMSRWJSNGXNJO-SECBINFHSA-N -1 0 308.356 -0.047 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C ZINC000824890526 604240695 /nfs/dbraw/zinc/24/06/95/604240695.db2.gz WBPORTMMGZHCMH-BDAKNGLRSA-N -1 0 317.342 -0.632 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)O[C@@H](C)C(=O)N1CCNC1=O ZINC000824880694 604243599 /nfs/dbraw/zinc/24/35/99/604243599.db2.gz KYEBEAIKAQRZNK-SFYZADRCSA-N -1 0 301.299 -0.284 20 0 DBADRM C[C@H](CN(C)C(=O)[O-])C(=O)OCCCN1C(=O)CNC1=O ZINC000824889689 604243990 /nfs/dbraw/zinc/24/39/90/604243990.db2.gz QSWXCJFZDHTTQO-MRVPVSSYSA-N -1 0 301.299 -0.283 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@]1(CCO)CCOC1 ZINC000831626879 604269695 /nfs/dbraw/zinc/26/96/95/604269695.db2.gz AZAGKGFCRBWLMV-MFKMUULPSA-N -1 0 302.327 -0.730 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NC[C@]1(CCO)CCOC1 ZINC000831627148 604269980 /nfs/dbraw/zinc/26/99/80/604269980.db2.gz GRLNHRBEWCJNRP-BREBYQMCSA-N -1 0 302.327 -0.995 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)NC[C@]2(O)CCSC2)C1 ZINC000831381438 604270889 /nfs/dbraw/zinc/27/08/89/604270889.db2.gz KBGFEBJTUZSVQG-JOYOIKCWSA-N -1 0 304.368 -0.261 20 0 DBADRM CNC(=O)[C@H](C)CN(C)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828527305 604271855 /nfs/dbraw/zinc/27/18/55/604271855.db2.gz YYOKZQROKKTEKM-NXEZZACHSA-N -1 0 301.343 -0.404 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000831645526 604273164 /nfs/dbraw/zinc/27/31/64/604273164.db2.gz CCFBMHBWRZXGMP-BDAKNGLRSA-N -1 0 305.356 -0.385 20 0 DBADRM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831173773 604275695 /nfs/dbraw/zinc/27/56/95/604275695.db2.gz OJHYLHNNVMYQRN-GMTAPVOTSA-N -1 0 313.354 -0.084 20 0 DBADRM COC(C)(C)CN(C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000828817080 604276783 /nfs/dbraw/zinc/27/67/83/604276783.db2.gz GSHIWFRQVQFRFU-UHFFFAOYSA-N -1 0 301.343 -0.308 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCCC[C@H]2CNC(=O)[O-])nn1 ZINC000825527652 604277623 /nfs/dbraw/zinc/27/76/23/604277623.db2.gz FUASOHRMQHQGSL-UWVGGRQHSA-N -1 0 311.342 -0.020 20 0 DBADRM COC(=O)CC1(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)CCC1 ZINC000828655160 604277597 /nfs/dbraw/zinc/27/75/97/604277597.db2.gz BRGBAYZKKKNSPQ-SECBINFHSA-N -1 0 300.311 -0.033 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCCC[C@@H]2CNC(=O)[O-])nn1 ZINC000825527654 604277675 /nfs/dbraw/zinc/27/76/75/604277675.db2.gz FUASOHRMQHQGSL-VHSXEESVSA-N -1 0 311.342 -0.020 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)NC[C@@H]2CCCCN2C(=O)[O-])nn1 ZINC000825527508 604277696 /nfs/dbraw/zinc/27/76/96/604277696.db2.gz DUBRBWVMBUZJBE-ZJUUUORDSA-N -1 0 311.342 -0.020 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N2CCCC[C@H]2CNC(=O)[O-])nn1 ZINC000825527656 604277700 /nfs/dbraw/zinc/27/77/00/604277700.db2.gz FUASOHRMQHQGSL-ZJUUUORDSA-N -1 0 311.342 -0.020 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])nn1 ZINC000825528372 604278827 /nfs/dbraw/zinc/27/88/27/604278827.db2.gz LVVJBMPULXSHMR-LPEHRKFASA-N -1 0 311.342 -0.116 20 0 DBADRM CC(C)S(=O)(=O)CCCOC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000824430894 604283064 /nfs/dbraw/zinc/28/30/64/604283064.db2.gz CEMCPAQLOSJAMK-UWVGGRQHSA-N -1 0 323.367 -0.144 20 0 DBADRM Cn1cc(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)cc1C(N)=O ZINC000831014049 604285687 /nfs/dbraw/zinc/28/56/87/604285687.db2.gz KQWHXAHYWOJLPS-VIFPVBQESA-N -1 0 310.310 -0.169 20 0 DBADRM NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000831173701 604292370 /nfs/dbraw/zinc/29/23/70/604292370.db2.gz NQQIVACFCANQIW-OUAUKWLOSA-N -1 0 313.354 -0.084 20 0 DBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])C1CC1)S(=O)(=O)C1CCOCC1 ZINC000825989110 604297452 /nfs/dbraw/zinc/29/74/52/604297452.db2.gz ASONKYAFUBNXTM-KCJUWKMLSA-N -1 0 319.379 -0.052 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2cncc(F)c2)CC1 ZINC000831615722 604300859 /nfs/dbraw/zinc/30/08/59/604300859.db2.gz CJJYOGBMQPHOPP-UHFFFAOYSA-N -1 0 310.285 -0.227 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CNC(=O)c1cccnc1 ZINC000831553945 604303738 /nfs/dbraw/zinc/30/37/38/604303738.db2.gz LSQFVHJSQOZXQH-AWEZNQCLSA-N -1 0 309.322 -0.193 20 0 DBADRM O=C([O-])N1CCO[C@H](CC(=O)NC[C@@]2(CCO)CCOC2)C1 ZINC000831380587 604305903 /nfs/dbraw/zinc/30/59/03/604305903.db2.gz FTNDRNSQFACZEP-BXUZGUMPSA-N -1 0 316.354 -0.339 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)NC[C@@]2(CCO)CCOC2)C1 ZINC000831380592 604305909 /nfs/dbraw/zinc/30/59/09/604305909.db2.gz FTNDRNSQFACZEP-SMDDNHRTSA-N -1 0 316.354 -0.339 20 0 DBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)[C@H](C)NC(=O)[O-] ZINC000826690760 604311238 /nfs/dbraw/zinc/31/12/38/604311238.db2.gz MFAJXDQFZNCIGJ-IVZWLZJFSA-N -1 0 321.399 -0.181 20 0 DBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)[C@H](C)NC(=O)[O-] ZINC000826690762 604311336 /nfs/dbraw/zinc/31/13/36/604311336.db2.gz MFAJXDQFZNCIGJ-LPEHRKFASA-N -1 0 321.399 -0.181 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000739469382 604322676 /nfs/dbraw/zinc/32/26/76/604322676.db2.gz OUSIRQWMYOMYNO-VWYCJHECSA-N -1 0 314.338 -0.099 20 0 DBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CN(C)C(=O)[O-] ZINC000826690693 604323203 /nfs/dbraw/zinc/32/32/03/604323203.db2.gz LORSIRFBZWORMH-VHSXEESVSA-N -1 0 321.399 -0.228 20 0 DBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)CCNC(=O)[O-] ZINC000826691102 604323390 /nfs/dbraw/zinc/32/33/90/604323390.db2.gz OIVKIXCPGQYROM-ZJUUUORDSA-N -1 0 321.399 -0.180 20 0 DBADRM COC[C@H](C)S(=O)(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000828902314 604332031 /nfs/dbraw/zinc/33/20/31/604332031.db2.gz DORLRFNCBDYEHR-UWVGGRQHSA-N -1 0 309.388 -0.765 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1C(N)=O ZINC000740289996 604336109 /nfs/dbraw/zinc/33/61/09/604336109.db2.gz MLMLXQUKSHLVQW-SSDOTTSWSA-N -1 0 316.339 -0.845 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCOC3(CCOCC3)C2)nn1 ZINC000833338152 604349979 /nfs/dbraw/zinc/34/99/79/604349979.db2.gz NRMUFYUDOBDAEE-UHFFFAOYSA-N -1 0 310.310 -0.616 20 0 DBADRM CCN(CCNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1)C(=O)[O-] ZINC000827145883 604350905 /nfs/dbraw/zinc/35/09/05/604350905.db2.gz GRKYMHZIJXCURT-RKDXNWHRSA-N -1 0 302.331 -0.682 20 0 DBADRM CN(CCCNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC000828294083 604352071 /nfs/dbraw/zinc/35/20/71/604352071.db2.gz URMVXNSISUYUCW-IUCAKERBSA-N -1 0 302.331 -0.682 20 0 DBADRM O=C([O-])c1cc(F)ccc1CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000833357727 604352338 /nfs/dbraw/zinc/35/23/38/604352338.db2.gz HIBHNWNZGZDEJR-LLVKDONJSA-N -1 0 321.308 -0.334 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@H]2CCCN2C(=O)[O-])O1 ZINC000831171790 604352711 /nfs/dbraw/zinc/35/27/11/604352711.db2.gz FXHUDKVTLCTJCH-UTLUCORTSA-N -1 0 314.342 -0.539 20 0 DBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)O1 ZINC000831174501 604352806 /nfs/dbraw/zinc/35/28/06/604352806.db2.gz UPWXZEGYBRHLBO-VGMNWLOBSA-N -1 0 300.315 -0.929 20 0 DBADRM CN(CCCNC(=O)[O-])C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000828298165 604354624 /nfs/dbraw/zinc/35/46/24/604354624.db2.gz OOWKPBVRDDSDRC-IUCAKERBSA-N -1 0 302.331 -0.682 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCN(C(=O)[O-])CC2)O1 ZINC000831174154 604356282 /nfs/dbraw/zinc/35/62/82/604356282.db2.gz RAUQDMZPQGRYJY-BDAKNGLRSA-N -1 0 300.315 -0.976 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)N2CCCN(C(=O)[O-])CC2)O1 ZINC000831173403 604356473 /nfs/dbraw/zinc/35/64/73/604356473.db2.gz MJRUKWQWYRGXPY-VHSXEESVSA-N -1 0 314.342 -0.585 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CC[C@@H](NC(=O)[O-])C1 ZINC000739808444 604369878 /nfs/dbraw/zinc/36/98/78/604369878.db2.gz SJRVWTCAQBKUGN-DTWKUNHWSA-N -1 0 302.331 -0.811 20 0 DBADRM C[C@@H](C[C@H]1CCOC1)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824779541 604374362 /nfs/dbraw/zinc/37/43/62/604374362.db2.gz ZICVIPMYZQPZBL-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc(CNC(=O)[O-])o2)O1 ZINC000831171532 604379638 /nfs/dbraw/zinc/37/96/38/604379638.db2.gz DWZHVSCXKBVYKS-IONNQARKSA-N -1 0 311.294 -0.190 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)c2ccc(CNC(=O)[O-])o2)O1 ZINC000831171527 604379663 /nfs/dbraw/zinc/37/96/63/604379663.db2.gz DWZHVSCXKBVYKS-APPZFPTMSA-N -1 0 311.294 -0.190 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000828619229 604395718 /nfs/dbraw/zinc/39/57/18/604395718.db2.gz SZVNHLKENBGBGG-TVQRCGJNSA-N -1 0 300.311 -0.223 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000828506747 604400063 /nfs/dbraw/zinc/40/00/63/604400063.db2.gz KMSKUGIEQBPCAD-JTQLQIEISA-N -1 0 323.353 -0.852 20 0 DBADRM Cc1cc(OCC(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])no1 ZINC000830129294 604405647 /nfs/dbraw/zinc/40/56/47/604405647.db2.gz PHWFWKJLAIUNOG-JTQLQIEISA-N -1 0 312.326 -0.228 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)CC(=O)NC(=O)NC1CC1 ZINC000827015541 604405681 /nfs/dbraw/zinc/40/56/81/604405681.db2.gz DXVIEVHPGUHVPE-JTQLQIEISA-N -1 0 301.343 -0.215 20 0 DBADRM CN1CCN(C(=O)CN2CCCCC2=O)[C@H](CNC(=O)[O-])C1 ZINC000828500118 604407616 /nfs/dbraw/zinc/40/76/16/604407616.db2.gz FTHPQKTZFLHUSZ-LLVKDONJSA-N -1 0 312.370 -0.591 20 0 DBADRM CC(C)OC(=O)[C@H](C)N(C)C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000824387804 604408188 /nfs/dbraw/zinc/40/81/88/604408188.db2.gz HXCBKSKIOHVDAK-IVZWLZJFSA-N -1 0 302.327 -0.102 20 0 DBADRM CCNC(=O)CCC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000827237664 604408899 /nfs/dbraw/zinc/40/88/99/604408899.db2.gz XDINBBHGABCCTO-JTQLQIEISA-N -1 0 300.359 -0.687 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000833081428 604409152 /nfs/dbraw/zinc/40/91/52/604409152.db2.gz GKABULNRQOQCGQ-UHFFFAOYSA-N -1 0 314.319 -0.554 20 0 DBADRM COC(=O)[C@@H](C)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831058943 604409440 /nfs/dbraw/zinc/40/94/40/604409440.db2.gz CJDKSFIKVVMEHW-ZETCQYMHSA-N -1 0 305.312 -0.945 20 0 DBADRM CN1CCN(C(=O)CCCS(C)(=O)=O)[C@@H](CNC(=O)[O-])C1 ZINC000828496400 604411677 /nfs/dbraw/zinc/41/16/77/604411677.db2.gz VJXAMMBLDMPLRB-JTQLQIEISA-N -1 0 321.399 -0.779 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN([C@H]2CC(=O)N(C3CC3)C2=O)CCO1 ZINC000825344203 604417487 /nfs/dbraw/zinc/41/74/87/604417487.db2.gz NCNZBWOJVTVSIL-INTQDDNPSA-N -1 0 311.338 -0.367 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCn2ccnc2)CCO1 ZINC000825319526 604419572 /nfs/dbraw/zinc/41/95/72/604419572.db2.gz XNFHMFFNJIIABC-GHMZBOCLSA-N -1 0 311.342 -0.050 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)C2(NC(=O)[O-])CC2)s1 ZINC000831251614 604421749 /nfs/dbraw/zinc/42/17/49/604421749.db2.gz ODPLGGMNWXQCHT-UHFFFAOYSA-N -1 0 319.364 -0.188 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2(NC(=O)[O-])CC2)C1 ZINC000829686519 604429328 /nfs/dbraw/zinc/42/93/28/604429328.db2.gz BYCKGYGQSXUWHE-MRVPVSSYSA-N -1 0 305.356 -0.673 20 0 DBADRM CCS(=O)(=O)NC1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000827476164 604430850 /nfs/dbraw/zinc/43/08/50/604430850.db2.gz UVNRHDKKLOGVHB-UHFFFAOYSA-N -1 0 319.383 -0.283 20 0 DBADRM O=C([O-])NC1(C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000832167123 604433568 /nfs/dbraw/zinc/43/35/68/604433568.db2.gz CWRWIXAKFZGSJN-UHFFFAOYSA-N -1 0 323.353 -0.312 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CN1CCC(=O)NC1=O ZINC000827002347 604434211 /nfs/dbraw/zinc/43/42/11/604434211.db2.gz XMQPFEHGLSZOHD-SECBINFHSA-N -1 0 315.326 -0.735 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(Cn2nc3ccccn3c2=O)CCO1 ZINC000825358344 604434648 /nfs/dbraw/zinc/43/46/48/604434648.db2.gz GAJYYZFRSIMXGZ-WDEREUQCSA-N -1 0 321.337 -0.190 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(Cn2nc3ccccn3c2=O)CCO1 ZINC000825358342 604434813 /nfs/dbraw/zinc/43/48/13/604434813.db2.gz GAJYYZFRSIMXGZ-QWRGUYRKSA-N -1 0 321.337 -0.190 20 0 DBADRM CCN1C(=O)CN(CN2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)C1=O ZINC000827200534 604438180 /nfs/dbraw/zinc/43/81/80/604438180.db2.gz UKWVUBUDXYNSBW-VHSXEESVSA-N -1 0 314.342 -0.415 20 0 DBADRM COc1ccnc(N2CCN(C(=O)C3(NC(=O)[O-])CC3)CC2)n1 ZINC000829650226 604439105 /nfs/dbraw/zinc/43/91/05/604439105.db2.gz QCVXKESHKWXAAJ-UHFFFAOYSA-N -1 0 321.337 -0.066 20 0 DBADRM CN(C1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1)S(C)(=O)=O ZINC000828085551 604440853 /nfs/dbraw/zinc/44/08/53/604440853.db2.gz FQCXFRZNUIRTBE-UHFFFAOYSA-N -1 0 319.383 -0.331 20 0 DBADRM CNC(=O)c1ccc(N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)nn1 ZINC000828560418 604454403 /nfs/dbraw/zinc/45/44/03/604454403.db2.gz CJQONGBLXVSXBL-WCBMZHEXSA-N -1 0 309.326 -0.303 20 0 DBADRM C[C@@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)OC(C)(C)C ZINC000829787985 604462619 /nfs/dbraw/zinc/46/26/19/604462619.db2.gz JNSUAXQMXQAICB-IWSPIJDZSA-N -1 0 302.327 -0.054 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)OC(C)(C)C ZINC000829787979 604462784 /nfs/dbraw/zinc/46/27/84/604462784.db2.gz JNSUAXQMXQAICB-HLTSFMKQSA-N -1 0 302.327 -0.054 20 0 DBADRM Cc1nc(CN2CCN(C(=O)C3(NC(=O)[O-])CC3)CC2)no1 ZINC000830751213 604464181 /nfs/dbraw/zinc/46/41/81/604464181.db2.gz JYVHLOWWIOFQKL-UHFFFAOYSA-N -1 0 309.326 -0.178 20 0 DBADRM CN(C(=O)c1ccnc2c(C(N)=O)cnn21)C(C)(C)C(=O)[O-] ZINC000833686828 604471655 /nfs/dbraw/zinc/47/16/55/604471655.db2.gz NTMVYQCTDLPYIY-UHFFFAOYSA-N -1 0 305.294 -0.237 20 0 DBADRM C[C@@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)[C@H]1CN(C)CCO1 ZINC000827681738 604473300 /nfs/dbraw/zinc/47/33/00/604473300.db2.gz PLJRBTBUKREJBJ-NXEZZACHSA-N -1 0 311.342 -0.192 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCOC[C@@H]1CCO)C(=O)[O-] ZINC000833640455 604478421 /nfs/dbraw/zinc/47/84/21/604478421.db2.gz YHMJAHBONHKAOY-GMXVVIOVSA-N -1 0 302.371 -0.315 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCOC[C@@H]1CCO)C(=O)[O-] ZINC000833640456 604478644 /nfs/dbraw/zinc/47/86/44/604478644.db2.gz YHMJAHBONHKAOY-GVXVVHGQSA-N -1 0 302.371 -0.315 20 0 DBADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)C2(NC(=O)[O-])CC2)C1=O ZINC000828444866 604481601 /nfs/dbraw/zinc/48/16/01/604481601.db2.gz IQWWGKNKDULVFI-XLKFXECMSA-N -1 0 324.337 -0.377 20 0 DBADRM O=C([O-])NC1(C(=O)N2CCN(CCn3cncn3)CC2)CC1 ZINC000832151295 604488527 /nfs/dbraw/zinc/48/85/27/604488527.db2.gz IJWJAEUSNKVXIO-UHFFFAOYSA-N -1 0 308.342 -0.778 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)NCCC(=O)N1CCOCC1 ZINC000317632161 604489149 /nfs/dbraw/zinc/48/91/49/604489149.db2.gz YGNMFPROTXMUJQ-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM COCCCS(=O)(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000828956913 604491364 /nfs/dbraw/zinc/49/13/64/604491364.db2.gz BYGSDYNBMLDQDY-UWVGGRQHSA-N -1 0 310.372 -0.290 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)[C@@H]2CCOC2)CCO1 ZINC000825358384 604492024 /nfs/dbraw/zinc/49/20/24/604492024.db2.gz GLCKDMFNNKMSDL-IVZWLZJFSA-N -1 0 308.356 -0.538 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)c2cn(C)cn2)CCO1 ZINC000825361457 604492622 /nfs/dbraw/zinc/49/26/22/604492622.db2.gz SJMSQFLBAUFFRC-DTWKUNHWSA-N -1 0 318.355 -0.534 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000828509914 604492990 /nfs/dbraw/zinc/49/29/90/604492990.db2.gz VYBFVLZHSLCTAN-NWDGAFQWSA-N -1 0 314.382 -0.028 20 0 DBADRM COCCN(CC(=O)N1CCN(C(C)=O)C[C@H]1C)C(=O)[O-] ZINC000828971349 604495086 /nfs/dbraw/zinc/49/50/86/604495086.db2.gz WMBGNQNTRPJIQF-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825359129 604495248 /nfs/dbraw/zinc/49/52/48/604495248.db2.gz JTKMIBGQUAAITF-UWVGGRQHSA-N -1 0 309.388 -0.072 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)c2cnn(C)c2)CCO1 ZINC000825371631 604496187 /nfs/dbraw/zinc/49/61/87/604496187.db2.gz HCCMTXOYRYFHMD-PSASIEDQSA-N -1 0 318.355 -0.534 20 0 DBADRM C[C@@H]1N(C(=O)CN2CCN(C(=O)[O-])CC2=O)CCOC1(C)C ZINC000826101722 604496244 /nfs/dbraw/zinc/49/62/44/604496244.db2.gz PLNJVACRTCJLHN-JTQLQIEISA-N -1 0 313.354 -0.166 20 0 DBADRM O=C([O-])N[C@@H]1CCN(C(=O)CNC(=O)c2ccc(O)cc2)C1 ZINC000740590050 604505865 /nfs/dbraw/zinc/50/58/65/604505865.db2.gz SYLVSGPDAIAUBT-SNVBAGLBSA-N -1 0 307.306 -0.010 20 0 DBADRM CNC(=O)[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)C ZINC000830979288 604508416 /nfs/dbraw/zinc/50/84/16/604508416.db2.gz SWTWDNPJNUXFSE-JTQLQIEISA-N -1 0 321.399 -0.612 20 0 DBADRM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)CCCC(=O)[O-])C1 ZINC000833389319 604509196 /nfs/dbraw/zinc/50/91/96/604509196.db2.gz BLXCSFVOCLYRNH-NSHDSACASA-N -1 0 306.384 -0.019 20 0 DBADRM CCS(=O)(=O)NCCCNC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000830131117 604510819 /nfs/dbraw/zinc/51/08/19/604510819.db2.gz SFPFQHLZLUFXFZ-SNVBAGLBSA-N -1 0 321.399 -0.036 20 0 DBADRM O=C([O-])NC1(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)CC1 ZINC000832162654 604521510 /nfs/dbraw/zinc/52/15/10/604521510.db2.gz QNWZDXSCICSPKA-UHLUBPPHSA-N -1 0 310.310 -0.719 20 0 DBADRM CC(=O)NCCCNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000823578988 604531582 /nfs/dbraw/zinc/53/15/82/604531582.db2.gz CRFYPYBQEYRVOT-GXSJLCMTSA-N -1 0 316.358 -0.421 20 0 DBADRM O=C([O-])NCC(=O)Oc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000833777547 604536540 /nfs/dbraw/zinc/53/65/40/604536540.db2.gz VWXNIWVVKQRFSJ-SECBINFHSA-N -1 0 307.262 -0.390 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)CCO1 ZINC000134195265 604538190 /nfs/dbraw/zinc/53/81/90/604538190.db2.gz SRTVNOGGNOOOTB-DTWKUNHWSA-N -1 0 306.340 -0.941 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCc2cnn(C)c2)CCO1 ZINC000825319267 604539305 /nfs/dbraw/zinc/53/93/05/604539305.db2.gz UERLBVNFFLMGMN-KOLCDFICSA-N -1 0 311.342 -0.013 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NC[C@H]2COCCO2)CCO1 ZINC000825312411 604539346 /nfs/dbraw/zinc/53/93/46/604539346.db2.gz WLHACYJSYJCEAI-GARJFASQSA-N -1 0 317.342 -0.532 20 0 DBADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)C1(NC(=O)[O-])CC1 ZINC000829683251 604545134 /nfs/dbraw/zinc/54/51/34/604545134.db2.gz PVFRDIKXMPGLFY-IUCAKERBSA-N -1 0 319.383 -0.379 20 0 DBADRM COCCN1CCN(C(=O)c2cccc(C(=O)[O-])n2)CC1=O ZINC000833724373 604546740 /nfs/dbraw/zinc/54/67/40/604546740.db2.gz KTZNOOZEBJWDNO-UHFFFAOYSA-N -1 0 307.306 -0.289 20 0 DBADRM CC1(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)OCCO1 ZINC000716964174 604549330 /nfs/dbraw/zinc/54/93/30/604549330.db2.gz PTNIXYQGHKUMGX-UHFFFAOYSA-N -1 0 305.312 -0.991 20 0 DBADRM CN(C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CCO1)c1cccnn1 ZINC000830722424 604552195 /nfs/dbraw/zinc/55/21/95/604552195.db2.gz AWRSRHKWMHCRLR-WOPDTQHZSA-N -1 0 320.349 -0.139 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)N2CC[C@@H](NC(=O)[O-])C2)cn1 ZINC000827965446 604552574 /nfs/dbraw/zinc/55/25/74/604552574.db2.gz BCPTVDAMSUUNCX-SECBINFHSA-N -1 0 324.341 -0.155 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCn2cncn2)CCO1 ZINC000825317346 604554719 /nfs/dbraw/zinc/55/47/19/604554719.db2.gz FFCHALJKRIJWSX-UWVGGRQHSA-N -1 0 312.330 -0.655 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCn2cncn2)CCO1 ZINC000825317345 604554836 /nfs/dbraw/zinc/55/48/36/604554836.db2.gz FFCHALJKRIJWSX-NXEZZACHSA-N -1 0 312.330 -0.655 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)NC(C)(C)CC(=O)[O-] ZINC000776627495 604557446 /nfs/dbraw/zinc/55/74/46/604557446.db2.gz PBPYUKGKNDAZRL-UHFFFAOYSA-N -1 0 310.372 -0.688 20 0 DBADRM CCN1CCN(CC(=O)N2CCC[C@@H]2CC(=O)[O-])C(=O)C1=O ZINC000829770021 604563392 /nfs/dbraw/zinc/56/33/92/604563392.db2.gz AOJXYJYOKTUANX-SNVBAGLBSA-N -1 0 311.338 -0.857 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000250951403 604570184 /nfs/dbraw/zinc/57/01/84/604570184.db2.gz OVHFECDPSIVCMK-VHSXEESVSA-N -1 0 304.368 -0.124 20 0 DBADRM O=C([O-])N1CC(NC(=O)NCCNC(=O)c2cccnc2)C1 ZINC000831689679 604571928 /nfs/dbraw/zinc/57/19/28/604571928.db2.gz VUIYEFJIRQPDPV-UHFFFAOYSA-N -1 0 307.310 -0.527 20 0 DBADRM C[C@H](CC(=O)NCCS(N)(=O)=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824654440 604578002 /nfs/dbraw/zinc/57/80/02/604578002.db2.gz FXNLDIIKXPCRKQ-NXEZZACHSA-N -1 0 321.399 -0.193 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@H]2CC(=O)[O-])nn1 ZINC000830557329 604581906 /nfs/dbraw/zinc/58/19/06/604581906.db2.gz VKTLKQBLUCIIIX-VIFPVBQESA-N -1 0 309.326 -0.554 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000833087568 604585464 /nfs/dbraw/zinc/58/54/64/604585464.db2.gz DDZOCUVCIWGGCH-SNVBAGLBSA-N -1 0 319.383 -0.632 20 0 DBADRM C[C@H]1CN(CCNC(=O)N2CC[C@@H](NC(=O)[O-])C2)CCO1 ZINC000739184141 604595704 /nfs/dbraw/zinc/59/57/04/604595704.db2.gz VCGRZAWCWXHXDU-WDEREUQCSA-N -1 0 300.359 -0.241 20 0 DBADRM CCN1CCO[C@@H](CNC(=O)N2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000739457307 604602771 /nfs/dbraw/zinc/60/27/71/604602771.db2.gz RKXMKLYJUXZTMA-MNOVXSKESA-N -1 0 300.359 -0.241 20 0 DBADRM CCN(C(=O)NC1CN(C(=O)[O-])C1)[C@H](C)CS(C)(=O)=O ZINC000826979356 604603728 /nfs/dbraw/zinc/60/37/28/604603728.db2.gz GBWASRYAJUYKOF-MRVPVSSYSA-N -1 0 307.372 -0.187 20 0 DBADRM O=C([O-])N1CC(NC(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000831848054 604604480 /nfs/dbraw/zinc/60/44/80/604604480.db2.gz YMEWSNKSVSBSGT-UHFFFAOYSA-N -1 0 306.326 -0.330 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000829674564 604605432 /nfs/dbraw/zinc/60/54/32/604605432.db2.gz RGXLBVRLDCTZOF-SECBINFHSA-N -1 0 323.371 -0.901 20 0 DBADRM O=C([O-])N1CC(NC(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000831846698 604606086 /nfs/dbraw/zinc/60/60/86/604606086.db2.gz KKHIBYJSSXKYDN-LBPRGKRZSA-N -1 0 312.370 -0.145 20 0 DBADRM COC(=O)CNC(=O)[C@H](C)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828684612 604609199 /nfs/dbraw/zinc/60/91/99/604609199.db2.gz YNNPVGAPLCDHRQ-LPEHRKFASA-N -1 0 317.342 -0.979 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)N2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000829668552 604609906 /nfs/dbraw/zinc/60/99/06/604609906.db2.gz GFDOYYUPPUMQGL-SECBINFHSA-N -1 0 319.383 -0.137 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CC(=O)N2CCO[C@H](C)C2)CCO1 ZINC000825983142 604620349 /nfs/dbraw/zinc/62/03/49/604620349.db2.gz HDBSSDULWGANPN-WOPDTQHZSA-N -1 0 315.370 -0.409 20 0 DBADRM C[C@@]1(c2ccco2)NC(=O)N(CC(=O)NCCC(=O)[O-])C1=O ZINC000833579720 604624372 /nfs/dbraw/zinc/62/43/72/604624372.db2.gz WOKPCELRIYRJKP-ZDUSSCGKSA-N -1 0 309.278 -0.363 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC000818028851 604624916 /nfs/dbraw/zinc/62/49/16/604624916.db2.gz CYWNVCUIHLJCKA-HBNTYKKESA-N -1 0 301.343 -0.800 20 0 DBADRM C[C@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)[C@H]1CN(C)CCO1 ZINC000827653849 604625595 /nfs/dbraw/zinc/62/55/95/604625595.db2.gz SKNTYUBXHYGAGT-SDDRHHMPSA-N -1 0 315.370 -0.409 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1 ZINC000825350171 604636589 /nfs/dbraw/zinc/63/65/89/604636589.db2.gz HGCXJSQNLFIHID-RWMBFGLXSA-N -1 0 317.386 -0.964 20 0 DBADRM COCCCNC(=O)CN1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828950415 604637375 /nfs/dbraw/zinc/63/73/75/604637375.db2.gz IJBXNROUGKDXJF-MNOVXSKESA-N -1 0 303.359 -0.504 20 0 DBADRM O=C([O-])N1CCN(CCNC(=S)NCc2ccon2)CC1 ZINC000832036692 604639285 /nfs/dbraw/zinc/63/92/85/604639285.db2.gz NEGWGEVHIBAUGE-UHFFFAOYSA-N -1 0 313.383 -0.066 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000824043396 604651497 /nfs/dbraw/zinc/65/14/97/604651497.db2.gz JMDDSDVGZPAKCN-LLVKDONJSA-N -1 0 313.354 -0.308 20 0 DBADRM O=C(CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NCc1ccco1 ZINC000831489004 604659096 /nfs/dbraw/zinc/65/90/96/604659096.db2.gz MQLCTEXUESVFJU-JTQLQIEISA-N -1 0 311.294 -0.609 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCN2CCCC2=O)CCO1 ZINC000825299713 604665488 /nfs/dbraw/zinc/66/54/88/604665488.db2.gz BAKCYRUHELROCV-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000262040893 604668774 /nfs/dbraw/zinc/66/87/74/604668774.db2.gz CSYOZLACDWXEMH-SECBINFHSA-N -1 0 310.372 -0.879 20 0 DBADRM NC(=O)C1(NC(=O)c2cccc(OCC(=O)[O-])c2)CCOCC1 ZINC000833082969 604670588 /nfs/dbraw/zinc/67/05/88/604670588.db2.gz UGOQEFSTZHQBES-UHFFFAOYSA-N -1 0 322.317 -0.086 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCO1 ZINC000825334008 604671694 /nfs/dbraw/zinc/67/16/94/604671694.db2.gz DPVPVYSZWBUHOB-ONGXEEELSA-N -1 0 309.322 -0.118 20 0 DBADRM CCN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000826971472 604673824 /nfs/dbraw/zinc/67/38/24/604673824.db2.gz XPBCVDCCMYSZEC-ZJUUUORDSA-N -1 0 320.367 -0.599 20 0 DBADRM COc1ccc(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)nn1 ZINC000829277577 604678501 /nfs/dbraw/zinc/67/85/01/604678501.db2.gz UULWMHIOMRXPBN-SCZZXKLOSA-N -1 0 310.310 -0.018 20 0 DBADRM COC(=O)NCCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828714186 604678644 /nfs/dbraw/zinc/67/86/44/604678644.db2.gz QAXXMRVMPYKZCK-BDAKNGLRSA-N -1 0 303.315 -0.384 20 0 DBADRM C[C@@H](OC(=O)CN1CSCC1=O)c1cn(CC(=O)[O-])nn1 ZINC000827833763 604680065 /nfs/dbraw/zinc/68/00/65/604680065.db2.gz OXCLHWVPXTZLOC-SSDOTTSWSA-N -1 0 314.323 -0.500 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000825294540 604684544 /nfs/dbraw/zinc/68/45/44/604684544.db2.gz MBWUJPDHFDSESI-IVZWLZJFSA-N -1 0 320.367 -0.695 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000825294536 604684658 /nfs/dbraw/zinc/68/46/58/604684658.db2.gz MBWUJPDHFDSESI-AEJSXWLSSA-N -1 0 320.367 -0.695 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NC[C@H]1CCS(=O)(=O)C1 ZINC000831383016 604689927 /nfs/dbraw/zinc/68/99/27/604689927.db2.gz SELXEQFMFZAICT-ZJUUUORDSA-N -1 0 320.367 -0.694 20 0 DBADRM CS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833737426 604690984 /nfs/dbraw/zinc/69/09/84/604690984.db2.gz CRUGSKQHNCTFCO-UHFFFAOYSA-N -1 0 308.337 -0.897 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCO1 ZINC000825295022 604695208 /nfs/dbraw/zinc/69/52/08/604695208.db2.gz QWXZGAHCIUZQPY-DCAQKATOSA-N -1 0 301.343 -0.800 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000826134891 604696109 /nfs/dbraw/zinc/69/61/09/604696109.db2.gz GXKMIRNCMWLIBO-UHFFFAOYSA-N -1 0 312.326 -0.389 20 0 DBADRM COC(=O)N(C)CC(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1 ZINC000831198246 604696449 /nfs/dbraw/zinc/69/64/49/604696449.db2.gz CKRZMOIWUVFLKC-ZETCQYMHSA-N -1 0 300.271 -0.335 20 0 DBADRM Cn1cc(C(N)=O)cc1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000833042442 604699379 /nfs/dbraw/zinc/69/93/79/604699379.db2.gz NUZXVXVSAVNIBY-UHFFFAOYSA-N -1 0 321.293 -0.800 20 0 DBADRM CNC(=O)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(C)C ZINC000833699732 604699936 /nfs/dbraw/zinc/69/99/36/604699936.db2.gz WYSKSKWLOWAHNC-JTQLQIEISA-N -1 0 315.351 -0.171 20 0 DBADRM C[C@@H](OC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cn(CC(=O)[O-])nn1 ZINC000827817165 604701057 /nfs/dbraw/zinc/70/10/57/604701057.db2.gz JBZHVFBUNOKIEP-BDAKNGLRSA-N -1 0 322.321 -0.022 20 0 DBADRM CN(C)C(=O)N1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827974779 604704442 /nfs/dbraw/zinc/70/44/42/604704442.db2.gz FRUDHHVIHYQXEW-JTQLQIEISA-N -1 0 314.342 -0.809 20 0 DBADRM Cn1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cc1=O ZINC000833054622 604704730 /nfs/dbraw/zinc/70/47/30/604704730.db2.gz MPSUNSZUKBGFBX-UHFFFAOYSA-N -1 0 306.278 -0.539 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCCSCC(=O)[O-])nc1 ZINC000833761832 604707376 /nfs/dbraw/zinc/70/73/76/604707376.db2.gz AKZWCYUTUOJMQV-UHFFFAOYSA-N -1 0 319.364 -0.723 20 0 DBADRM C/C(=C\COC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000833383601 604708825 /nfs/dbraw/zinc/70/88/25/604708825.db2.gz NGJLSRIRGMGFRN-QPJJXVBHSA-N -1 0 300.292 -0.083 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)CCO1 ZINC000825302796 604718981 /nfs/dbraw/zinc/71/89/81/604718981.db2.gz SNJXNXGNBHJBBL-ONGXEEELSA-N -1 0 313.354 -0.262 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCC(=O)N2CCCCC2)C1 ZINC000831659086 604721924 /nfs/dbraw/zinc/72/19/24/604721924.db2.gz CRJKOOVIEFQAIN-LLVKDONJSA-N -1 0 313.354 -0.116 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000829955920 604722617 /nfs/dbraw/zinc/72/26/17/604722617.db2.gz VBLPKQMNWLBZPT-QMMMGPOBSA-N -1 0 315.326 -0.735 20 0 DBADRM COc1ncc(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)cn1 ZINC000829659880 604725177 /nfs/dbraw/zinc/72/51/77/604725177.db2.gz GKBMJOIPUIIVFE-WCBMZHEXSA-N -1 0 310.310 -0.018 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000831757257 604726464 /nfs/dbraw/zinc/72/64/64/604726464.db2.gz KLDXRFXZLJYQFY-SNVBAGLBSA-N -1 0 318.293 -0.020 20 0 DBADRM COCCS(=O)(=O)CC(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000831788070 604727483 /nfs/dbraw/zinc/72/74/83/604727483.db2.gz CXEHJDLCMSTYTG-UHFFFAOYSA-N -1 0 307.368 -0.097 20 0 DBADRM CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)C1(C(=O)[O-])CCCC1 ZINC000830893696 604727519 /nfs/dbraw/zinc/72/75/19/604727519.db2.gz BGQGRNXULSKSKR-UHFFFAOYSA-N -1 0 311.294 -0.737 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCC(O)(C(=O)[O-])CC1 ZINC000833403820 604728281 /nfs/dbraw/zinc/72/82/81/604728281.db2.gz CRUKBSIPQLNPDP-WDEREUQCSA-N -1 0 300.355 -0.418 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)Cn2ccccc2=O)CCO1 ZINC000825310934 604729796 /nfs/dbraw/zinc/72/97/96/604729796.db2.gz QYGHMWAOUQNHSM-GHMZBOCLSA-N -1 0 309.322 -0.268 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000829937980 604730355 /nfs/dbraw/zinc/73/03/55/604730355.db2.gz BDQBRLJWGMEMPT-ONGXEEELSA-N -1 0 324.337 -0.289 20 0 DBADRM C[C@@H](CN1CCCC1=O)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824900840 604730550 /nfs/dbraw/zinc/73/05/50/604730550.db2.gz DSECGYKUAROAJX-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM COC(=O)N1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828705146 604731215 /nfs/dbraw/zinc/73/12/15/604731215.db2.gz SBWMPEKHPWCTQT-SECBINFHSA-N -1 0 301.299 -0.724 20 0 DBADRM CCNC(=O)CN(CC)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000827242566 604734298 /nfs/dbraw/zinc/73/42/98/604734298.db2.gz RMGHTQITCLQMOR-JTQLQIEISA-N -1 0 301.343 -0.260 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CCN1CCCS1(=O)=O ZINC000829945556 604735665 /nfs/dbraw/zinc/73/56/65/604735665.db2.gz FBAXNJJBCRVDKC-JTQLQIEISA-N -1 0 322.383 -0.640 20 0 DBADRM CCCNC(=O)CCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000826920796 604735970 /nfs/dbraw/zinc/73/59/70/604735970.db2.gz JQDDNIMVPMQQJQ-JTQLQIEISA-N -1 0 301.343 -0.212 20 0 DBADRM O=C([O-])COc1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC000833253347 604738972 /nfs/dbraw/zinc/73/89/72/604738972.db2.gz DBYARTOIHVVEEZ-SNVBAGLBSA-N -1 0 306.274 -0.315 20 0 DBADRM COC(=O)[C@H]1CCCCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828630545 604745746 /nfs/dbraw/zinc/74/57/46/604745746.db2.gz IRZBMSAJSZJCKY-NXEZZACHSA-N -1 0 300.311 -0.081 20 0 DBADRM NC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CN(C(=O)[O-])C1 ZINC000740334194 604748426 /nfs/dbraw/zinc/74/84/26/604748426.db2.gz YQUQPXOABHGIJJ-LLVKDONJSA-N -1 0 306.322 -0.256 20 0 DBADRM C[C@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)NC(C)(C)C ZINC000825095203 604752401 /nfs/dbraw/zinc/75/24/01/604752401.db2.gz VHHOJNBAGLQOFL-DTWKUNHWSA-N -1 0 301.343 -0.215 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000833430422 604753558 /nfs/dbraw/zinc/75/35/58/604753558.db2.gz BWFUEKPJRASIGX-UHFFFAOYSA-N -1 0 322.383 -0.858 20 0 DBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831167386 604758149 /nfs/dbraw/zinc/75/81/49/604758149.db2.gz JUQWFZUTXBAIFP-RYUDHWBXSA-N -1 0 321.333 -0.422 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(Cc2cnn(C)c2)CC1 ZINC000825999703 604758577 /nfs/dbraw/zinc/75/85/77/604758577.db2.gz HSGQEQRFMFGFCP-LLVKDONJSA-N -1 0 309.370 -0.873 20 0 DBADRM CCCN(C)S(=O)(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000826892163 604764340 /nfs/dbraw/zinc/76/43/40/604764340.db2.gz DGLOZVWRTRYXSJ-UHFFFAOYSA-N -1 0 322.431 -0.200 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000825176735 604764613 /nfs/dbraw/zinc/76/46/13/604764613.db2.gz ATERTDQUKDGWHH-JTQLQIEISA-N -1 0 300.359 -0.735 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)c2nc[nH]n2)cc1 ZINC000833252737 604767757 /nfs/dbraw/zinc/76/77/57/604767757.db2.gz ZEJGNNDWZBHVBO-UHFFFAOYSA-N -1 0 303.278 -0.200 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)NCC(=O)NCCO)n1 ZINC000833269982 604768478 /nfs/dbraw/zinc/76/84/78/604768478.db2.gz UMSCVFYRZWVXTO-UHFFFAOYSA-N -1 0 302.312 -1.000 20 0 DBADRM CCCN(C)S(=O)(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826892797 604768738 /nfs/dbraw/zinc/76/87/38/604768738.db2.gz KQJOAIRBSUMPTM-NXEZZACHSA-N -1 0 309.388 -0.070 20 0 DBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@H](O)c2cccnc2)CCO1 ZINC000825295580 604772335 /nfs/dbraw/zinc/77/23/35/604772335.db2.gz VMGLNBPCUDCOAA-MVWJERBFSA-N -1 0 309.322 -0.002 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)Nc2cccnc2-n2cncn2)C1 ZINC000831802232 604782020 /nfs/dbraw/zinc/78/20/20/604782020.db2.gz GQQFDTYWOIVXFL-JTQLQIEISA-N -1 0 318.293 -0.020 20 0 DBADRM CN(C)c1ncnc2c1ncn2CCc1cn(CC(=O)[O-])nn1 ZINC000830651660 604788868 /nfs/dbraw/zinc/78/88/68/604788868.db2.gz ZASZZDXHAMRSMT-UHFFFAOYSA-N -1 0 316.325 -0.189 20 0 DBADRM CC(C)(CNC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000833459292 604789114 /nfs/dbraw/zinc/78/91/14/604789114.db2.gz PPIJBPQJFPYBGG-UHFFFAOYSA-N -1 0 301.324 -0.430 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(N)(=O)=O)cn2)C1 ZINC000833554284 604789270 /nfs/dbraw/zinc/78/92/70/604789270.db2.gz QLCXLPLGWMVIIS-GFCCVEGCSA-N -1 0 313.335 -0.334 20 0 DBADRM O=C([O-])Cn1cc(CCn2c(=O)onc2-c2cccnc2)nn1 ZINC000833273547 604789489 /nfs/dbraw/zinc/78/94/89/604789489.db2.gz VQNCRSPTSMAEBW-UHFFFAOYSA-N -1 0 316.277 -0.183 20 0 DBADRM CCN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)[C@@H]1CC(=O)NC1=O ZINC000826975241 604792636 /nfs/dbraw/zinc/79/26/36/604792636.db2.gz AXCVZTNQXGTKGZ-RKDXNWHRSA-N -1 0 313.310 -0.981 20 0 DBADRM C[C@H]1CN(CCNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000826059228 604802273 /nfs/dbraw/zinc/80/22/73/604802273.db2.gz RYIFBGLJCGQXSG-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM C[C@H]1CN(CCNC(=O)[C@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000826059229 604802798 /nfs/dbraw/zinc/80/27/98/604802798.db2.gz RYIFBGLJCGQXSG-WDEREUQCSA-N -1 0 301.343 -0.798 20 0 DBADRM Cc1nnc2n1C[C@@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000830893206 604803447 /nfs/dbraw/zinc/80/34/47/604803447.db2.gz JPYOELKVPRVZTH-VHSXEESVSA-N -1 0 309.326 -0.604 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000830894588 604803549 /nfs/dbraw/zinc/80/35/49/604803549.db2.gz UPHKKLWWWDQPKA-GHMZBOCLSA-N -1 0 323.353 -0.214 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)CCO1 ZINC000821556317 604804907 /nfs/dbraw/zinc/80/49/07/604804907.db2.gz FOJJZTGHAPTDSV-VIFPVBQESA-N -1 0 307.262 -0.662 20 0 DBADRM CC(C)(CO)CCCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824015267 604808726 /nfs/dbraw/zinc/80/87/26/604808726.db2.gz KDSKONVLSHGIDK-UHFFFAOYSA-N -1 0 315.370 -0.277 20 0 DBADRM CC(=O)NC1CCC(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823574950 604809378 /nfs/dbraw/zinc/80/93/78/604809378.db2.gz KXTRGVJDDRQMMG-HTAVTVPLSA-N -1 0 313.354 -0.071 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC(C3OCCO3)CC2)C1 ZINC000832051027 604809561 /nfs/dbraw/zinc/80/95/61/604809561.db2.gz SOPXYQPWJBEAFK-LLVKDONJSA-N -1 0 314.338 -0.023 20 0 DBADRM C[C@@H]1COCCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000399656929 604811531 /nfs/dbraw/zinc/81/15/31/604811531.db2.gz DKJDQOLGKDQUMJ-SECBINFHSA-N -1 0 303.340 -0.233 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@H](CCO)C2)cn1 ZINC000123158675 604812046 /nfs/dbraw/zinc/81/20/46/604812046.db2.gz VXHSLZNOZJZSIK-SECBINFHSA-N -1 0 303.340 -0.639 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@@H](CCO)C2)cn1 ZINC000123158926 604812305 /nfs/dbraw/zinc/81/23/05/604812305.db2.gz VXHSLZNOZJZSIK-VIFPVBQESA-N -1 0 303.340 -0.639 20 0 DBADRM CN(CCN1CCOCC1)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828315739 604816217 /nfs/dbraw/zinc/81/62/17/604816217.db2.gz CLAXKCIHBPBSCR-NSHDSACASA-N -1 0 301.343 -0.844 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826093486 604833783 /nfs/dbraw/zinc/83/37/83/604833783.db2.gz FMLMNKFMWSXRKI-QWRGUYRKSA-N -1 0 301.343 -0.798 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)CN2CCCCC2=O)nn1 ZINC000833271229 604835721 /nfs/dbraw/zinc/83/57/21/604835721.db2.gz BTFZJOKWARBKRP-UHFFFAOYSA-N -1 0 310.310 -0.539 20 0 DBADRM O=C([O-])c1cccc(C(=O)OCCN2CCCS2(=O)=O)n1 ZINC000833328371 604838162 /nfs/dbraw/zinc/83/81/62/604838162.db2.gz HCKNVOTVERHEBR-UHFFFAOYSA-N -1 0 314.319 -0.028 20 0 DBADRM CC(=O)NC1(C(=O)OCCc2cn(CC(=O)[O-])nn2)CCCC1 ZINC000825862798 604838211 /nfs/dbraw/zinc/83/82/11/604838211.db2.gz DINVWVVODPTZPP-UHFFFAOYSA-N -1 0 324.337 -0.103 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@H](n3cncn3)C2)C1 ZINC000832049101 604838390 /nfs/dbraw/zinc/83/83/90/604838390.db2.gz CDMUHOSBAKZNKZ-QWRGUYRKSA-N -1 0 309.326 -0.180 20 0 DBADRM CCN(CC(=O)N(C)C)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826996787 604839202 /nfs/dbraw/zinc/83/92/02/604839202.db2.gz KANGDQAQOHRMLX-SNVBAGLBSA-N -1 0 301.343 -0.308 20 0 DBADRM CCN(CC(=O)N(C)C)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000826996786 604839314 /nfs/dbraw/zinc/83/93/14/604839314.db2.gz KANGDQAQOHRMLX-JTQLQIEISA-N -1 0 301.343 -0.308 20 0 DBADRM CCc1nnc2n1CCN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)C2 ZINC000827656313 604840794 /nfs/dbraw/zinc/84/07/94/604840794.db2.gz PJFWZEICLKQUTD-VIFPVBQESA-N -1 0 309.326 -0.439 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000825527110 604842567 /nfs/dbraw/zinc/84/25/67/604842567.db2.gz AUQMXYAQLGXVNS-RYUDHWBXSA-N -1 0 315.370 -0.720 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCc1nncn1C1CC1 ZINC000831387718 604843271 /nfs/dbraw/zinc/84/32/71/604843271.db2.gz ONOFVOSTLJPQNV-SNVBAGLBSA-N -1 0 309.326 -0.002 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)C1 ZINC000828556568 604845046 /nfs/dbraw/zinc/84/50/46/604845046.db2.gz DIPRINHBHDLLLX-IUCAKERBSA-N -1 0 300.311 -0.623 20 0 DBADRM CN(CCNC(=O)[C@H]1CN(C(=O)[O-])CCO1)CC(F)(F)F ZINC000828321598 604855445 /nfs/dbraw/zinc/85/54/45/604855445.db2.gz VCNARALBECHLHS-MRVPVSSYSA-N -1 0 313.276 -0.025 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCn3c(nnc3C3CC3)C2)C1 ZINC000832059913 604856111 /nfs/dbraw/zinc/85/61/11/604856111.db2.gz CRNOKZLEMZOQCD-SNVBAGLBSA-N -1 0 321.337 -0.124 20 0 DBADRM O=C([O-])c1ccc(C(=O)OCC(=O)N2CCNC(=O)C2)cc1F ZINC000833358124 604857619 /nfs/dbraw/zinc/85/76/19/604857619.db2.gz CISUXSCRIJJCHZ-UHFFFAOYSA-N -1 0 324.264 -0.361 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000824357316 604859124 /nfs/dbraw/zinc/85/91/24/604859124.db2.gz PDASGJDHFNVLHN-WDEREUQCSA-N -1 0 313.354 -0.119 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827470898 604859215 /nfs/dbraw/zinc/85/92/15/604859215.db2.gz DVRYOBUCVUVKPI-RKDXNWHRSA-N -1 0 308.356 -0.695 20 0 DBADRM CN(C)C(=O)CN1CCN([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC000833687949 604860180 /nfs/dbraw/zinc/86/01/80/604860180.db2.gz DNHLQCMLZBKYQL-AWEZNQCLSA-N -1 0 306.366 -0.087 20 0 DBADRM CC(C)(C)n1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000819940593 604861131 /nfs/dbraw/zinc/86/11/31/604861131.db2.gz SKSGHNATFOJPFH-SNVBAGLBSA-N -1 0 324.337 -0.111 20 0 DBADRM COCCc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)n(C)n1 ZINC000818545439 604864961 /nfs/dbraw/zinc/86/49/61/604864961.db2.gz LKDNWXVWTNJPPQ-SECBINFHSA-N -1 0 324.337 -0.519 20 0 DBADRM C[C@@H](O)CCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000736676425 604870770 /nfs/dbraw/zinc/87/07/70/604870770.db2.gz MLHCPOUKXRBBKS-SKDRFNHKSA-N -1 0 322.317 -0.248 20 0 DBADRM COCCOC[C@@H]1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000829002039 604876610 /nfs/dbraw/zinc/87/66/10/604876610.db2.gz KNSWYZFJHJYHAO-NEPJUHHUSA-N -1 0 316.354 -0.123 20 0 DBADRM COCCOC[C@@H]1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000829002042 604876901 /nfs/dbraw/zinc/87/69/01/604876901.db2.gz KNSWYZFJHJYHAO-VXGBXAGGSA-N -1 0 316.354 -0.123 20 0 DBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CCc1cn(CC(=O)[O-])nn1 ZINC000833407267 604877434 /nfs/dbraw/zinc/87/74/34/604877434.db2.gz JNEIUSMNYBSKAH-UWVGGRQHSA-N -1 0 318.399 -0.341 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCCS(=O)(=O)CC2)C1 ZINC000832051704 604878963 /nfs/dbraw/zinc/87/89/63/604878963.db2.gz YLACCPZQFWVVCP-VIFPVBQESA-N -1 0 306.340 -0.988 20 0 DBADRM Cn1cc(N2CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CC2)cn1 ZINC000831009279 604882623 /nfs/dbraw/zinc/88/26/23/604882623.db2.gz PKHKDGBYCVROAN-GFCCVEGCSA-N -1 0 323.353 -0.553 20 0 DBADRM CC(C)C(=O)NCCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833467749 604889057 /nfs/dbraw/zinc/88/90/57/604889057.db2.gz SSXFXAATDSSMDF-LLVKDONJSA-N -1 0 315.370 -0.374 20 0 DBADRM CC(C)NC(=O)CCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833501485 604889307 /nfs/dbraw/zinc/88/93/07/604889307.db2.gz AHIYIGLAFDFTRI-GFCCVEGCSA-N -1 0 315.370 -0.232 20 0 DBADRM Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000830799318 604891279 /nfs/dbraw/zinc/89/12/79/604891279.db2.gz MQGWPABDEYEZNK-VHSXEESVSA-N -1 0 309.326 -0.084 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)N[C@H]1CCCn2ncnc21 ZINC000831375790 604891611 /nfs/dbraw/zinc/89/16/11/604891611.db2.gz PATYHNUXXULTHD-ZJUUUORDSA-N -1 0 309.326 -0.002 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000831591571 604893754 /nfs/dbraw/zinc/89/37/54/604893754.db2.gz KYNLBHISFNUELJ-IUCAKERBSA-N -1 0 306.340 -0.941 20 0 DBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000831374164 604894165 /nfs/dbraw/zinc/89/41/65/604894165.db2.gz HOJDOBJQRXUPQA-NXEZZACHSA-N -1 0 320.367 -0.551 20 0 DBADRM COc1ccccc1[C@H](O)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000829610236 604895394 /nfs/dbraw/zinc/89/53/94/604895394.db2.gz ANSCRAAWFYQJCX-MVWJERBFSA-N -1 0 324.333 -0.042 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NC[C@H](O)COc1ccccc1 ZINC000831620259 604897736 /nfs/dbraw/zinc/89/77/36/604897736.db2.gz GJXVDYPRMKKYNF-MDZLAQPJSA-N -1 0 324.333 -0.344 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000825016458 604900559 /nfs/dbraw/zinc/90/05/59/604900559.db2.gz QNRSTUBUVMTIQO-BDAKNGLRSA-N -1 0 308.356 -0.743 20 0 DBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000825016461 604900636 /nfs/dbraw/zinc/90/06/36/604900636.db2.gz QNRSTUBUVMTIQO-RKDXNWHRSA-N -1 0 308.356 -0.743 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824809884 604903063 /nfs/dbraw/zinc/90/30/63/604903063.db2.gz LOJLYIBYSPNPQJ-BDAKNGLRSA-N -1 0 308.356 -0.695 20 0 DBADRM CC(C)(C)OC(=O)NCCN1C(=O)N[C@@H](CC(=O)[O-])C1=O ZINC000833441136 604904556 /nfs/dbraw/zinc/90/45/56/604904556.db2.gz FMQPQMZVRYMSIA-ZETCQYMHSA-N -1 0 301.299 -0.094 20 0 DBADRM C[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000711141492 604904781 /nfs/dbraw/zinc/90/47/81/604904781.db2.gz CFVAEFKJDJZRSO-QMMMGPOBSA-N -1 0 300.336 -0.192 20 0 DBADRM COCCN1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828990654 604906631 /nfs/dbraw/zinc/90/66/31/604906631.db2.gz GYUSMFZKBHAPAW-NSHDSACASA-N -1 0 301.343 -0.844 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)CC(=O)N1CCN(C)CC1 ZINC000833506226 604908678 /nfs/dbraw/zinc/90/86/78/604908678.db2.gz VNYXGSWRWFNONQ-GFCCVEGCSA-N -1 0 301.387 -0.430 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000831009436 604909944 /nfs/dbraw/zinc/90/99/44/604909944.db2.gz UHFKADWVCOPGQP-VIFPVBQESA-N -1 0 309.326 -0.135 20 0 DBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000823736809 604911339 /nfs/dbraw/zinc/91/13/39/604911339.db2.gz APEDCPGBFOIDFF-BBBLOLIVSA-N -1 0 322.383 -0.355 20 0 DBADRM CC(C)C[C@@H](O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824217532 604914977 /nfs/dbraw/zinc/91/49/77/604914977.db2.gz GGPXUQNIFXGAKC-SNVBAGLBSA-N -1 0 301.343 -0.668 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCCC(=O)[O-] ZINC000833437217 604915705 /nfs/dbraw/zinc/91/57/05/604915705.db2.gz FKRKVYRLGNMKHG-SSDOTTSWSA-N -1 0 303.315 -0.654 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)[C@@H]2CSCN2C(=O)[O-])cn1 ZINC000830994234 604918945 /nfs/dbraw/zinc/91/89/45/604918945.db2.gz PSJVVZYSGZTHKO-IUCAKERBSA-N -1 0 300.340 -0.377 20 0 DBADRM C[C@H](CCS(C)(=O)=O)NC(=O)COC1CN(C(=O)[O-])C1 ZINC000824809874 604926854 /nfs/dbraw/zinc/92/68/54/604926854.db2.gz LJAULYGQKGWCCM-MRVPVSSYSA-N -1 0 308.356 -0.695 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@@H]2c3ccccc3C[C@H]2O)nn1 ZINC000833121412 604940313 /nfs/dbraw/zinc/94/03/13/604940313.db2.gz GRFAFXJMSYFPOO-DGCLKSJQSA-N -1 0 302.290 -0.249 20 0 DBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000825778093 604940439 /nfs/dbraw/zinc/94/04/39/604940439.db2.gz HZRHPJDBVPEPAJ-BBBLOLIVSA-N -1 0 320.367 -0.601 20 0 DBADRM CC(C)N1C(=O)N[C@]2(CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)C1=O ZINC000833499795 604940807 /nfs/dbraw/zinc/94/08/07/604940807.db2.gz IHEOXVMJFHIBSD-FZNYLWTLSA-N -1 0 309.322 -0.362 20 0 DBADRM C[C@@H]1CN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCS1(=O)=O ZINC000825984136 604944223 /nfs/dbraw/zinc/94/42/23/604944223.db2.gz UMWOMWSDGMPCOT-ZJUUUORDSA-N -1 0 320.367 -0.599 20 0 DBADRM O=C([O-])N1CC(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)C1 ZINC000740404211 604947989 /nfs/dbraw/zinc/94/79/89/604947989.db2.gz PNZPDSVLBRFJFK-LBPRGKRZSA-N -1 0 316.321 -0.065 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000827300076 604949300 /nfs/dbraw/zinc/94/93/00/604949300.db2.gz VCYSOSCULKJFTP-UWVGGRQHSA-N -1 0 316.310 -0.844 20 0 DBADRM O=C([O-])N1CC(NC(=O)Cn2cnc3sccc3c2=O)C1 ZINC000740388670 604949691 /nfs/dbraw/zinc/94/96/91/604949691.db2.gz PTVPBIPSTCZDQI-UHFFFAOYSA-N -1 0 308.319 -0.064 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000825177360 604952848 /nfs/dbraw/zinc/95/28/48/604952848.db2.gz JNGOPOTXBWAQKQ-OYNCUSHFSA-N -1 0 309.326 -0.314 20 0 DBADRM CCn1c(N)c(C(=O)CN2CCCC[C@@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC000820507125 604953313 /nfs/dbraw/zinc/95/33/13/604953313.db2.gz SYWUPESTVXDUEZ-MRVPVSSYSA-N -1 0 324.337 -0.327 20 0 DBADRM COC[C@@H]1CN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000828930042 604958538 /nfs/dbraw/zinc/95/85/38/604958538.db2.gz NHZNQBWDJVXFGE-MNOVXSKESA-N -1 0 302.327 -0.371 20 0 DBADRM CC(C)(CCS(C)(=O)=O)NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000823895203 604966314 /nfs/dbraw/zinc/96/63/14/604966314.db2.gz QSXLEFGCRSRDTP-SECBINFHSA-N -1 0 322.383 -0.305 20 0 DBADRM NC(=O)NC1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831208481 604969233 /nfs/dbraw/zinc/96/92/33/604969233.db2.gz PUYHBSDHFZMPHU-SNVBAGLBSA-N -1 0 314.342 -0.585 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(c2ncccc2F)CC1 ZINC000833405882 604973483 /nfs/dbraw/zinc/97/34/83/604973483.db2.gz YQTFEQJECSGOKM-SNVBAGLBSA-N -1 0 310.329 -0.068 20 0 DBADRM Cc1nc(C)n(C[C@H]2CN(C(=O)[C@H](C)NC(=O)[O-])CCO2)n1 ZINC000830735722 604976853 /nfs/dbraw/zinc/97/68/53/604976853.db2.gz UCOKKXUTOFHDNL-GZMMTYOYSA-N -1 0 311.342 -0.222 20 0 DBADRM CCc1nnc([C@H](C)NS(=O)(=O)N(C)CCC(=O)[O-])[nH]1 ZINC000833673581 605005003 /nfs/dbraw/zinc/00/50/03/605005003.db2.gz KRQAQROWBUIREP-ZETCQYMHSA-N -1 0 305.360 -0.331 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(Cc2cccnc2)CC1 ZINC000833404438 605015037 /nfs/dbraw/zinc/01/50/37/605015037.db2.gz LJPAABYHGGANNR-LBPRGKRZSA-N -1 0 306.366 -0.212 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCSC[C@H]1C(N)=O)C(=O)[O-] ZINC000833638889 605015688 /nfs/dbraw/zinc/01/56/88/605015688.db2.gz LGORRXONTUTCLV-ATZCPNFKSA-N -1 0 317.411 -0.495 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CC[C@@H](NC(N)=O)C1)C(=O)[O-] ZINC000833477994 605018280 /nfs/dbraw/zinc/01/82/80/605018280.db2.gz NMZWUFGVJJHEOF-ZJUUUORDSA-N -1 0 300.359 -0.656 20 0 DBADRM COC(=O)c1cncc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])c1 ZINC000833716970 605018284 /nfs/dbraw/zinc/01/82/84/605018284.db2.gz DYLZQUHFGZNMRD-SSDOTTSWSA-N -1 0 310.262 -0.386 20 0 DBADRM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC000833422284 605023876 /nfs/dbraw/zinc/02/38/76/605023876.db2.gz FMOOIWDQQZKHKR-IUCAKERBSA-N -1 0 318.395 -0.114 20 0 DBADRM CC(C)C(=O)NCCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833467313 605024785 /nfs/dbraw/zinc/02/47/85/605024785.db2.gz NXBPDTGTGJMBMB-UHFFFAOYSA-N -1 0 324.337 -0.450 20 0 DBADRM CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC000833394404 605025594 /nfs/dbraw/zinc/02/55/94/605025594.db2.gz XRUGSLWGUHHHCX-UHFFFAOYSA-N -1 0 322.321 -0.648 20 0 DBADRM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833583566 605025693 /nfs/dbraw/zinc/02/56/93/605025693.db2.gz ISOQZBBOAVHIMU-RXMQYKEDSA-N -1 0 305.337 -0.650 20 0 DBADRM CN(C)C(=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833687276 605026128 /nfs/dbraw/zinc/02/61/28/605026128.db2.gz CHDCANCXUAZCAO-UHFFFAOYSA-N -1 0 310.310 -0.744 20 0 DBADRM CC1(C)C(=O)NCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833556044 605026592 /nfs/dbraw/zinc/02/65/92/605026592.db2.gz WQXGLPPKVSONDQ-UHFFFAOYSA-N -1 0 319.364 -0.260 20 0 DBADRM CCc1nn(C)cc1NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000833678367 605031028 /nfs/dbraw/zinc/03/10/28/605031028.db2.gz OUWZJAFGIOVIBV-SECBINFHSA-N -1 0 324.337 -0.377 20 0 DBADRM C[C@H](O)C1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000235560251 605032579 /nfs/dbraw/zinc/03/25/79/605032579.db2.gz GKSCJRMYGFOGTM-VIFPVBQESA-N -1 0 317.367 -0.251 20 0 DBADRM C[C@@H](CS(=O)(=O)N(CCO)Cc1cccnc1)C(=O)[O-] ZINC000833519388 605033826 /nfs/dbraw/zinc/03/38/26/605033826.db2.gz OBECUXWRSYZXGN-JTQLQIEISA-N -1 0 302.352 -0.074 20 0 DBADRM CC(C)(C)[C@@H](O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000324432269 605034353 /nfs/dbraw/zinc/03/43/53/605034353.db2.gz BTYBTBJDTWRXMY-VIFPVBQESA-N -1 0 305.356 -0.347 20 0 DBADRM CCn1cc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)ccc1=O ZINC000833681843 605035387 /nfs/dbraw/zinc/03/53/87/605035387.db2.gz JAPZKIAERTYFHQ-UHFFFAOYSA-N -1 0 308.294 -0.715 20 0 DBADRM CC1(O)CCC(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000833569978 605044102 /nfs/dbraw/zinc/04/41/02/605044102.db2.gz BNQLSXPINRBHCD-UHFFFAOYSA-N -1 0 317.367 -0.060 20 0 DBADRM CC(=O)N1CCOC[C@@H]1C(=O)NCCSCCC(=O)[O-] ZINC000833391739 605045251 /nfs/dbraw/zinc/04/52/51/605045251.db2.gz OLHFGTDLHMVYTK-SNVBAGLBSA-N -1 0 304.368 -0.442 20 0 DBADRM CC1(O)CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000160514462 605046748 /nfs/dbraw/zinc/04/67/48/605046748.db2.gz PEUDYPIQDSPICI-UHFFFAOYSA-N -1 0 303.340 -0.497 20 0 DBADRM CCOC(=O)[C@@H](C)CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000833657013 605048088 /nfs/dbraw/zinc/04/80/88/605048088.db2.gz PTNPFINXNSAKKD-LURJTMIESA-N -1 0 319.339 -0.106 20 0 DBADRM C[C@@H]1CCOCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000829458701 605062336 /nfs/dbraw/zinc/06/23/36/605062336.db2.gz UFOMSYTYVWFVAB-SECBINFHSA-N -1 0 303.340 -0.233 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000831645897 605075563 /nfs/dbraw/zinc/07/55/63/605075563.db2.gz FZJZZTRWZIFQPW-BDAKNGLRSA-N -1 0 306.340 -0.941 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)C1CCC(C(=O)[O-])CC1 ZINC000390306839 605079648 /nfs/dbraw/zinc/07/96/48/605079648.db2.gz BMKWUKHQCDCBLX-UHFFFAOYSA-N -1 0 306.384 -0.067 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)N2CC[C@H](NC(=O)[O-])C2)n1 ZINC000739601108 605085303 /nfs/dbraw/zinc/08/53/03/605085303.db2.gz XQBDCVKMQMJQTR-VIFPVBQESA-N -1 0 324.341 -0.155 20 0 DBADRM CC(C)(C)OC(=O)N(CC(=O)NC[C@H](O)C(=O)[O-])C1CC1 ZINC000833434376 605087249 /nfs/dbraw/zinc/08/72/49/605087249.db2.gz LAPNPKNQEWWLMI-VIFPVBQESA-N -1 0 302.327 -0.052 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])cn1 ZINC000833762628 605088269 /nfs/dbraw/zinc/08/82/69/605088269.db2.gz YRZIVMNWEXAHII-LURJTMIESA-N -1 0 323.277 -0.433 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NC[C@H](O)C(=O)[O-])c1cccs1 ZINC000090261768 605088613 /nfs/dbraw/zinc/08/86/13/605088613.db2.gz LVZVRQLIDWBDOT-IUCAKERBSA-N -1 0 300.336 -0.123 20 0 DBADRM CC(=O)N1C[C@H](C(=O)NC[C@H](O)C(=O)[O-])Oc2ccccc21 ZINC000833393137 605088665 /nfs/dbraw/zinc/08/86/65/605088665.db2.gz PHGVFWGQNSHKRD-CMPLNLGQSA-N -1 0 308.290 -0.638 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCC[C@@H](C)NC(=O)[O-])c(=O)n(C)c1 ZINC000830089233 605090417 /nfs/dbraw/zinc/09/04/17/605090417.db2.gz FDVGFRMGYGWUMU-SECBINFHSA-N -1 0 324.337 -0.205 20 0 DBADRM C[C@@H]1C(=O)Nc2cc(C(=O)NC[C@H](O)C(=O)[O-])ccc2N1C ZINC000833584986 605090631 /nfs/dbraw/zinc/09/06/31/605090631.db2.gz YCGCJUDOPADLIV-HQJQHLMTSA-N -1 0 307.306 -0.361 20 0 DBADRM CN(C)C(=O)COc1ccccc1C(=O)NC[C@H](O)C(=O)[O-] ZINC000833688526 605091004 /nfs/dbraw/zinc/09/10/04/605091004.db2.gz SYNLBSNOPDMGRZ-JTQLQIEISA-N -1 0 310.306 -0.671 20 0 DBADRM CCN(CCNC(=O)C(=O)Nc1cc(C)cn(C)c1=O)C(=O)[O-] ZINC000827130212 605093549 /nfs/dbraw/zinc/09/35/49/605093549.db2.gz RTMCEIVLEFRUPF-UHFFFAOYSA-N -1 0 324.337 -0.252 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCCN(C)C(=O)[O-])c(=O)n(C)c1 ZINC000830089189 605094219 /nfs/dbraw/zinc/09/42/19/605094219.db2.gz CZKLOFMJWPHFHR-UHFFFAOYSA-N -1 0 324.337 -0.252 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(C(N)=O)o1 ZINC000833626707 605099960 /nfs/dbraw/zinc/09/99/60/605099960.db2.gz RPWOWVSHHUTZIT-SECBINFHSA-N -1 0 309.322 -0.001 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)NCCCN2C(=O)CCC2=O)C1 ZINC000740587588 605102111 /nfs/dbraw/zinc/10/21/11/605102111.db2.gz MHLXNZMLSWDVLW-VIFPVBQESA-N -1 0 312.326 -0.423 20 0 DBADRM CCN1CCO[C@H](CNC(=O)N2CC[C@H](NC(=O)[O-])C2)C1 ZINC000739457310 605102575 /nfs/dbraw/zinc/10/25/75/605102575.db2.gz RKXMKLYJUXZTMA-WDEREUQCSA-N -1 0 300.359 -0.241 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000833620608 605108361 /nfs/dbraw/zinc/10/83/61/605108361.db2.gz LMBKSWWLNCNNAO-MNOVXSKESA-N -1 0 318.395 -0.572 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000833620610 605108598 /nfs/dbraw/zinc/10/85/98/605108598.db2.gz LMBKSWWLNCNNAO-QWRGUYRKSA-N -1 0 318.395 -0.572 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2CC[C@H](NC(=O)[O-])C2)cn1 ZINC000831223032 605111344 /nfs/dbraw/zinc/11/13/44/605111344.db2.gz UQMQIAZNKGRKPR-VIFPVBQESA-N -1 0 307.310 -0.268 20 0 DBADRM Cc1cc(N2CCN3C(=O)CC[C@H]3C2)n2nc(C(=O)[O-])nc2n1 ZINC000833746217 605119600 /nfs/dbraw/zinc/11/96/00/605119600.db2.gz UKLMQHDLQUBJND-VIFPVBQESA-N -1 0 316.321 -0.058 20 0 DBADRM CC(C)COC(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000833490255 605128474 /nfs/dbraw/zinc/12/84/74/605128474.db2.gz RHUTZXYFPIXOLO-UHFFFAOYSA-N -1 0 308.294 -0.123 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739989951 605130971 /nfs/dbraw/zinc/13/09/71/605130971.db2.gz DWOFPJDNLALHFO-IUCAKERBSA-N -1 0 305.356 -0.721 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000833689653 605135172 /nfs/dbraw/zinc/13/51/72/605135172.db2.gz NBZPXLUNEQIMSU-UHFFFAOYSA-N -1 0 322.383 -0.735 20 0 DBADRM C[C@H](CCNC(=O)CN1CCN(C(=O)[O-])CC1=O)[S@](C)=O ZINC000824785022 605135754 /nfs/dbraw/zinc/13/57/54/605135754.db2.gz BQYYDAUPFYIFKJ-BTKVJGODSA-N -1 0 319.383 -0.918 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000833746630 605137375 /nfs/dbraw/zinc/13/73/75/605137375.db2.gz FCEKMSNMCPHVCT-UHFFFAOYSA-N -1 0 324.333 -0.140 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCO[C@H](C(=O)NC)C1)C(=O)[O-] ZINC000833636825 605139031 /nfs/dbraw/zinc/13/90/31/605139031.db2.gz ARHZMPFPUONBNL-NHCYSSNCSA-N -1 0 315.370 -0.951 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN2C(=O)CC[C@H]2C1)C(=O)[O-] ZINC000833638846 605147980 /nfs/dbraw/zinc/14/79/80/605147980.db2.gz KOMPLHZZVMEUNV-MJVIPROJSA-N -1 0 311.382 -0.092 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000833699065 605148223 /nfs/dbraw/zinc/14/82/23/605148223.db2.gz DZIJDUXQTIBLEA-HBNTYKKESA-N -1 0 313.354 -0.214 20 0 DBADRM CC(C)(NC(=O)[O-])C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000833460783 605149013 /nfs/dbraw/zinc/14/90/13/605149013.db2.gz GVDBYKTYKYHTGH-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM NC(=O)C(NC(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-])C(N)=O ZINC000831167787 605171094 /nfs/dbraw/zinc/17/10/94/605171094.db2.gz PQILUNCUZCQCRU-JGVFFNPUSA-N -1 0 314.342 -0.952 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](Cn2nnnc2CNC(=O)[O-])C1 ZINC000829683027 605175883 /nfs/dbraw/zinc/17/58/83/605175883.db2.gz LFOSKGIKWJEKIB-QMMMGPOBSA-N -1 0 318.359 -0.888 20 0 DBADRM CC(C)(NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000833460953 605183316 /nfs/dbraw/zinc/18/33/16/605183316.db2.gz QJIZLUGDWVJKSK-UHFFFAOYSA-N -1 0 308.356 -0.477 20 0 DBADRM O=C([O-])NC[C@@H]1CCN(C(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000832584156 605187166 /nfs/dbraw/zinc/18/71/66/605187166.db2.gz UCUNOUDLMOMGJI-VHSXEESVSA-N -1 0 319.383 -0.137 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000832376152 605189359 /nfs/dbraw/zinc/18/93/59/605189359.db2.gz RLFCCHFAALQUHH-JTQLQIEISA-N -1 0 319.383 -0.137 20 0 DBADRM COC1(C(=O)O[C@H]2CCCNC2=O)CCN(C(=O)[O-])CC1 ZINC000828864197 605192331 /nfs/dbraw/zinc/19/23/31/605192331.db2.gz FCJBRMRHXGOCJF-VIFPVBQESA-N -1 0 300.311 -0.033 20 0 DBADRM CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000819737433 605198217 /nfs/dbraw/zinc/19/82/17/605198217.db2.gz QTDDIKQTCBWWFF-KPKJPENVSA-N -1 0 320.301 -0.092 20 0 DBADRM C[C@@H]1CN(C(=O)COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCO1 ZINC000825988074 605201872 /nfs/dbraw/zinc/20/18/72/605201872.db2.gz HTGJZWTVANEXLC-ZJUUUORDSA-N -1 0 316.310 -0.844 20 0 DBADRM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694148115 605205163 /nfs/dbraw/zinc/20/51/63/605205163.db2.gz JXARHZYOHYBMCB-ZETCQYMHSA-N -1 0 323.348 -0.215 20 0 DBADRM O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)NC[C@@H]1CCCO1 ZINC000831499124 605206492 /nfs/dbraw/zinc/20/64/92/605206492.db2.gz PWFLYYWLVHUPIY-VHSXEESVSA-N -1 0 316.310 -0.796 20 0 DBADRM C[C@@H](COC(=O)[C@H]1CN(C(=O)[O-])CCO1)CS(C)(=O)=O ZINC000824986847 605209623 /nfs/dbraw/zinc/20/96/23/605209623.db2.gz KEVKYVOWIPULCI-DTWKUNHWSA-N -1 0 309.340 -0.411 20 0 DBADRM O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)NCc1ccco1 ZINC000831498696 605216567 /nfs/dbraw/zinc/21/65/67/605216567.db2.gz OJPJSQUNKYYVFW-SNVBAGLBSA-N -1 0 312.278 -0.182 20 0 DBADRM CC(C)N1CC[C@@H](OC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000824363708 605217843 /nfs/dbraw/zinc/21/78/43/605217843.db2.gz WKJPJKFRZNJWNS-NXEZZACHSA-N -1 0 300.311 -0.082 20 0 DBADRM NC(=O)C1(NC(=O)CC2CCN(C(=O)[O-])CC2)CCOCC1 ZINC000831167030 605220813 /nfs/dbraw/zinc/22/08/13/605220813.db2.gz HVCJLUHOTGNHSK-UHFFFAOYSA-N -1 0 313.354 -0.083 20 0 DBADRM NC(=O)C1(NC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)CCOCC1 ZINC000831166592 605220875 /nfs/dbraw/zinc/22/08/75/605220875.db2.gz DQQWUAJYSXLAPW-VHSXEESVSA-N -1 0 313.354 -0.037 20 0 DBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828551524 605223006 /nfs/dbraw/zinc/22/30/06/605223006.db2.gz BKXQIZIZZGEWQP-YUMQZZPRSA-N -1 0 317.298 -0.857 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CSCN1C(=O)[O-])[C@H]1CN(C)CCO1 ZINC000825093176 605223772 /nfs/dbraw/zinc/22/37/72/605223772.db2.gz MHJPKLIZNKKIEO-LPEHRKFASA-N -1 0 303.384 -0.125 20 0 DBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)OCc1nnnn1C1CC1 ZINC000831400495 605226719 /nfs/dbraw/zinc/22/67/19/605226719.db2.gz CLDJENSQLYXWJN-VIFPVBQESA-N -1 0 311.298 -0.180 20 0 DBADRM C[C@H](OC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C(=O)NC1CC1 ZINC000825584555 605227575 /nfs/dbraw/zinc/22/75/75/605227575.db2.gz CJRTZOIWDYBPEX-WCBMZHEXSA-N -1 0 300.311 -0.034 20 0 DBADRM CN(C(=O)COC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000827774211 605227990 /nfs/dbraw/zinc/22/79/90/605227990.db2.gz HCRQQJAJGONYFP-JTQLQIEISA-N -1 0 300.311 -0.081 20 0 DBADRM CN(C(=O)COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C1CC1 ZINC000827774212 605228054 /nfs/dbraw/zinc/22/80/54/605228054.db2.gz HCRQQJAJGONYFP-SNVBAGLBSA-N -1 0 300.311 -0.081 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000827474843 605230891 /nfs/dbraw/zinc/23/08/91/605230891.db2.gz BDYPYCVXNOTZRA-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM COC(=O)N1CC(NC(=O)N2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000828705206 605231851 /nfs/dbraw/zinc/23/18/51/605231851.db2.gz UKFWMXGQNGHBHU-MRVPVSSYSA-N -1 0 300.315 -0.121 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(CCn2ccccc2=O)CC1 ZINC000833771563 605248248 /nfs/dbraw/zinc/24/82/48/605248248.db2.gz JBCICJCDWCRIMX-QWHCGFSZSA-N -1 0 319.361 -0.287 20 0 DBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)NCc1nnc2n1CCC2 ZINC000831517656 605249303 /nfs/dbraw/zinc/24/93/03/605249303.db2.gz UDEBXSJIWZVZLA-JTQLQIEISA-N -1 0 323.353 -0.001 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)c2cc(C(=O)[O-])no2)CC1 ZINC000833502192 605262010 /nfs/dbraw/zinc/26/20/10/605262010.db2.gz ONCYDOMLTBEYHA-UHFFFAOYSA-N -1 0 324.337 -0.345 20 0 DBADRM CS(=O)(=O)CCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000829672921 605268024 /nfs/dbraw/zinc/26/80/24/605268024.db2.gz FKYGVVXCWJVTHI-VIFPVBQESA-N -1 0 308.356 -0.694 20 0 DBADRM CC(C)(C)OC(=O)N1CC(CC(=O)N[C@H](CO)C(=O)[O-])C1 ZINC000833432503 605268884 /nfs/dbraw/zinc/26/88/84/605268884.db2.gz LPJVQMGAVHXJSZ-SECBINFHSA-N -1 0 302.327 -0.195 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833665129 605277851 /nfs/dbraw/zinc/27/78/51/605277851.db2.gz MFPSDHVJIRRKFU-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM CC(=O)[C@@H]1CC(C(=O)N[C@@H](CO)C(=O)[O-])=NN1c1ccccc1 ZINC000833388609 605280340 /nfs/dbraw/zinc/28/03/40/605280340.db2.gz YMFKROOWWIYHEW-STQMWFEESA-N -1 0 319.317 -0.228 20 0 DBADRM COc1ccccc1N1C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])CC1=O ZINC000738132374 605280688 /nfs/dbraw/zinc/28/06/88/605280688.db2.gz CWSIGBGHDRARRM-ZJUUUORDSA-N -1 0 322.317 -0.390 20 0 DBADRM CC(C)(CNC(=O)c1cc(C(=O)[O-])no1)NS(C)(=O)=O ZINC000381678875 605286209 /nfs/dbraw/zinc/28/62/09/605286209.db2.gz JFYKBQOOKRVQKT-UHFFFAOYSA-N -1 0 305.312 -0.570 20 0 DBADRM CNC(=O)CCN(C)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828538272 605293386 /nfs/dbraw/zinc/29/33/86/605293386.db2.gz UDYQWZGSIDPIRA-SNVBAGLBSA-N -1 0 301.343 -0.260 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCC(n2ccnn2)CC1)C(=O)[O-] ZINC000833520277 605296523 /nfs/dbraw/zinc/29/65/23/605296523.db2.gz SGNBQZSLHBXZDK-VIFPVBQESA-N -1 0 302.356 -0.035 20 0 DBADRM C[C@@H](Cc1noc(Cn2ccc(=O)n(C)c2=O)n1)N(C)C(=O)[O-] ZINC000825047254 605300230 /nfs/dbraw/zinc/30/02/30/605300230.db2.gz DWPHOPCISYTJJG-QMMMGPOBSA-N -1 0 323.309 -0.481 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC(=O)NCC2CC2)c[nH]1 ZINC000393221326 605301176 /nfs/dbraw/zinc/30/11/76/605301176.db2.gz UUVBEJYUKHFHKE-UHFFFAOYSA-N -1 0 301.324 -0.483 20 0 DBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)CCC(=O)[O-])C1=O ZINC000833760018 605302037 /nfs/dbraw/zinc/30/20/37/605302037.db2.gz KITFWVVNEFTUCW-SNVBAGLBSA-N -1 0 308.338 -0.108 20 0 DBADRM CN1C(=S)N=NC1CNC(=O)CCOC1CN(C(=O)[O-])C1 ZINC000833944781 605306295 /nfs/dbraw/zinc/30/62/95/605306295.db2.gz YMJIAHHAHWORIH-UHFFFAOYSA-N -1 0 315.355 -0.511 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCCNC(=O)C1CCCC1 ZINC000834042605 605308860 /nfs/dbraw/zinc/30/88/60/605308860.db2.gz ZHCFZPBHYLTWGH-MNOVXSKESA-N -1 0 314.338 -0.051 20 0 DBADRM O=C([O-])N1CC(OCCC(=O)N2CCCS(=O)(=O)CC2)C1 ZINC000834073572 605310463 /nfs/dbraw/zinc/31/04/63/605310463.db2.gz MDCDQCQWAVQDOY-UHFFFAOYSA-N -1 0 320.367 -0.598 20 0 DBADRM O=C([O-])N1CC(OCCC(=O)N2CCN3C(=O)CC[C@H]3C2)C1 ZINC000834071712 605312659 /nfs/dbraw/zinc/31/26/59/605312659.db2.gz AUTQHTBQTKLALN-JTQLQIEISA-N -1 0 311.338 -0.412 20 0 DBADRM COC[C@@](C)(O)CNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000828896756 605317629 /nfs/dbraw/zinc/31/76/29/605317629.db2.gz LRGSGIRCKPJJKB-CABZTGNLSA-N -1 0 306.384 -0.015 20 0 DBADRM C[C@@H](Cc1noc(-c2cn(C)c(=O)n(C)c2=O)n1)N(C)C(=O)[O-] ZINC000825041207 605319908 /nfs/dbraw/zinc/31/99/08/605319908.db2.gz AVKRGAQJUAFMAO-ZETCQYMHSA-N -1 0 323.309 -0.325 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)OCCN1C(=O)CCC1=O ZINC000834137240 605321894 /nfs/dbraw/zinc/32/18/94/605321894.db2.gz JCYXTAYPAUEAJY-ZCFIWIBFSA-N -1 0 308.237 -0.030 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCC3(COC(=O)N3)CC2)C1 ZINC000834158631 605322644 /nfs/dbraw/zinc/32/26/44/605322644.db2.gz UNRNRNFGZQOVDD-VIFPVBQESA-N -1 0 312.326 -0.613 20 0 DBADRM NC(=O)COCCNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000831189519 605333199 /nfs/dbraw/zinc/33/31/99/605333199.db2.gz ADIPAUNMXVOIKC-MRVPVSSYSA-N -1 0 305.356 -0.910 20 0 DBADRM O=C([O-])NC1CCN(CC(=O)NC[C@@H](O)c2cccnc2)CC1 ZINC000832382287 605340939 /nfs/dbraw/zinc/34/09/39/605340939.db2.gz SUHINGKEMJTSCE-CYBMUJFWSA-N -1 0 322.365 -0.037 20 0 DBADRM NS(=O)(=O)CCCOC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000831247335 605342540 /nfs/dbraw/zinc/34/25/40/605342540.db2.gz XUEKHBMOICEMSC-VIFPVBQESA-N -1 0 324.355 -0.633 20 0 DBADRM Cn1cc([C@H]2CCCN2C(=O)CNC(=O)CNC(=O)[O-])cn1 ZINC000833948536 605343953 /nfs/dbraw/zinc/34/39/53/605343953.db2.gz YJYQSCJISHMVSU-SNVBAGLBSA-N -1 0 309.326 -0.533 20 0 DBADRM Cn1cc([C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)[O-])cn1 ZINC000833948535 605344300 /nfs/dbraw/zinc/34/43/00/605344300.db2.gz YJYQSCJISHMVSU-JTQLQIEISA-N -1 0 309.326 -0.533 20 0 DBADRM Cc1ncsc1CN(C)C(=O)CNC(=O)CNC(=O)[O-] ZINC000833918255 605345452 /nfs/dbraw/zinc/34/54/52/605345452.db2.gz RKYZRANXVCMRJN-UHFFFAOYSA-N -1 0 300.340 -0.206 20 0 DBADRM CCc1noc(CN2C(=O)N[C@@]3(CCN(C(=O)[O-])C3)C2=O)n1 ZINC000827675967 605346966 /nfs/dbraw/zinc/34/69/66/605346966.db2.gz ZYYNOUUGILGXNP-GFCCVEGCSA-N -1 0 309.282 -0.194 20 0 DBADRM CNC(=O)[C@H]1CCCN1C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828533050 605347388 /nfs/dbraw/zinc/34/73/88/605347388.db2.gz YIYSNAYJDQRMND-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000834194724 605350543 /nfs/dbraw/zinc/35/05/43/605350543.db2.gz ODCMBQCJCWARIS-AWEZNQCLSA-N -1 0 313.354 -0.211 20 0 DBADRM CN1C[C@H](NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CCC1=O ZINC000828452798 605353090 /nfs/dbraw/zinc/35/30/90/605353090.db2.gz VTWMAKZBXFSOCN-MNOVXSKESA-N -1 0 313.354 -0.118 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccn(C2CCCC2)n1 ZINC000834198476 605353455 /nfs/dbraw/zinc/35/34/55/605353455.db2.gz JPRZHHKAVNKTPT-UHFFFAOYSA-N -1 0 323.353 -0.002 20 0 DBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)c1nccn(C)c1=O ZINC000828095448 605354644 /nfs/dbraw/zinc/35/46/44/605354644.db2.gz IBUWBLANQZPOPE-UHFFFAOYSA-N -1 0 309.326 -0.961 20 0 DBADRM Cn1cc(CCN2C(=O)N[C@@]3(CCN(C(=O)[O-])C3)C2=O)cn1 ZINC000831004139 605354799 /nfs/dbraw/zinc/35/47/99/605354799.db2.gz CINAOWGTMWXRTD-CYBMUJFWSA-N -1 0 307.310 -0.363 20 0 DBADRM O=C([O-])N[C@H]1CCc2ncc(NC(=O)NC[C@@H](O)CO)cc2C1 ZINC000834194091 605361994 /nfs/dbraw/zinc/36/19/94/605361994.db2.gz FDCJQWCVIPXINA-GXSJLCMTSA-N -1 0 324.337 -0.319 20 0 DBADRM COC[C@](C)(O)CNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000828896966 605365309 /nfs/dbraw/zinc/36/53/09/605365309.db2.gz MXZJWGYIDGDZRB-GXFFZTMASA-N -1 0 304.343 -0.341 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccnc1-n1cccn1 ZINC000834198549 605367143 /nfs/dbraw/zinc/36/71/43/605367143.db2.gz KDGXSPSYGCYSSL-UHFFFAOYSA-N -1 0 318.293 -0.410 20 0 DBADRM C[C@@H](CCNC(=O)c1coc(S(N)(=O)=O)c1)NC(=O)[O-] ZINC000833804706 605369376 /nfs/dbraw/zinc/36/93/76/605369376.db2.gz ICSKJGMOZDQSOY-LURJTMIESA-N -1 0 305.312 -0.297 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCN(C(=O)[O-])CC1 ZINC000833433176 605371214 /nfs/dbraw/zinc/37/12/14/605371214.db2.gz DSBXQVHFUNWOQC-UHFFFAOYSA-N -1 0 301.343 -0.260 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000819914854 605371412 /nfs/dbraw/zinc/37/14/12/605371412.db2.gz JGZSHQFGBGHKCO-SECBINFHSA-N -1 0 302.327 -0.770 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCC(=O)OC1CCCCC1 ZINC000834196179 605372275 /nfs/dbraw/zinc/37/22/75/605372275.db2.gz HXSGKSGEAMYUCM-UHFFFAOYSA-N -1 0 315.326 -0.638 20 0 DBADRM CN(C)c1nc(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])ns1 ZINC000828077023 605373039 /nfs/dbraw/zinc/37/30/39/605373039.db2.gz IPANKWLVDVTJHS-RQJHMYQMSA-N -1 0 316.339 -0.240 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1nnc(C(F)F)s1 ZINC000834198480 605374807 /nfs/dbraw/zinc/37/48/07/605374807.db2.gz IATIQFHOKSPWHV-UHFFFAOYSA-N -1 0 309.254 -0.202 20 0 DBADRM Cc1ccc(C(N)=O)cc1NC(=O)CNC(=O)CNC(=O)[O-] ZINC000833905263 605375741 /nfs/dbraw/zinc/37/57/41/605375741.db2.gz QRTLNNALJDEJJL-UHFFFAOYSA-N -1 0 308.294 -0.584 20 0 DBADRM CC(C)COC[C@H](O)CNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000824276961 605377943 /nfs/dbraw/zinc/37/79/43/605377943.db2.gz QZZJKYJSSZKQRL-GHMZBOCLSA-N -1 0 304.343 -0.485 20 0 DBADRM CC(C)COC[C@H](O)CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000824275678 605378097 /nfs/dbraw/zinc/37/80/97/605378097.db2.gz IXZKWMOKMIPKMN-NEPJUHHUSA-N -1 0 318.370 -0.095 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000834194059 605378760 /nfs/dbraw/zinc/37/87/60/605378760.db2.gz JXHOHKOYSPZQSC-SECBINFHSA-N -1 0 309.326 -0.501 20 0 DBADRM Cn1c(Cl)cnc1COC(=O)CNC(=O)CNC(=O)[O-] ZINC000833941607 605382013 /nfs/dbraw/zinc/38/20/13/605382013.db2.gz DAPZBGVZDBAQNO-UHFFFAOYSA-N -1 0 304.690 -0.500 20 0 DBADRM CNC(=O)[C@H](C)CN(C)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828525972 605382487 /nfs/dbraw/zinc/38/24/87/605382487.db2.gz DMWCNTNHIXOCGZ-GHMZBOCLSA-N -1 0 315.370 -0.014 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCC[C@@H](O)c1ccccc1 ZINC000834195639 605386446 /nfs/dbraw/zinc/38/64/46/605386446.db2.gz CDOJEFIWLKRAQI-LLVKDONJSA-N -1 0 309.322 -0.390 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@H](O)c1ccccc1F ZINC000834197041 605388734 /nfs/dbraw/zinc/38/87/34/605388734.db2.gz OSHDKELBNTZURF-JTQLQIEISA-N -1 0 313.285 -0.641 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCC1(CO)CCCCC1 ZINC000834196466 605388751 /nfs/dbraw/zinc/38/87/51/605388751.db2.gz JHIADUUIDXNKRU-UHFFFAOYSA-N -1 0 301.343 -0.571 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NCC1(CCO)CCCCC1 ZINC000834197517 605389658 /nfs/dbraw/zinc/38/96/58/605389658.db2.gz UTBQNMWESQTKNZ-UHFFFAOYSA-N -1 0 315.370 -0.181 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000834197971 605393287 /nfs/dbraw/zinc/39/32/87/605393287.db2.gz ZWSWHGNPBPHPMR-MFKMUULPSA-N -1 0 307.306 -0.855 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000834199004 605393708 /nfs/dbraw/zinc/39/37/08/605393708.db2.gz SVZQKKAMDACMAI-UHFFFAOYSA-N -1 0 323.231 -0.232 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCC(OCCCO)CC1 ZINC000831271425 605393821 /nfs/dbraw/zinc/39/38/21/605393821.db2.gz BZBYVBNLBQAVOT-JQWIXIFHSA-N -1 0 316.354 -0.510 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000833985293 605395523 /nfs/dbraw/zinc/39/55/23/605395523.db2.gz XPYJNEHQLGQBGG-SECBINFHSA-N -1 0 319.281 -0.888 20 0 DBADRM O=C([O-])N1CC[C@H](CNC(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000834026546 605402941 /nfs/dbraw/zinc/40/29/41/605402941.db2.gz JLQKZWJREWIQMH-NXEZZACHSA-N -1 0 319.383 -0.137 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NC[C@@H](O)COCC1CC1 ZINC000831619713 605403416 /nfs/dbraw/zinc/40/34/16/605403416.db2.gz BJHMVJPSGSEOLE-NXEZZACHSA-N -1 0 304.368 -0.057 20 0 DBADRM COCCN(CCNC(=O)NC[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC000833886066 605406184 /nfs/dbraw/zinc/40/61/84/605406184.db2.gz PJWVJKDSKFDQEF-LLVKDONJSA-N -1 0 318.374 -0.757 20 0 DBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NCC[C@@H]1CCCO1 ZINC000833893661 605406223 /nfs/dbraw/zinc/40/62/23/605406223.db2.gz CNZWLTDFLLQBDE-VHSXEESVSA-N -1 0 322.383 -0.257 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(Cn2nc3cnccn3c2=O)CCO1 ZINC000833820738 605406562 /nfs/dbraw/zinc/40/65/62/605406562.db2.gz SOYWBWFNUDUEFY-UWVGGRQHSA-N -1 0 322.325 -0.795 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000834173201 605408570 /nfs/dbraw/zinc/40/85/70/605408570.db2.gz PQADNVRUSARQSH-SDDRHHMPSA-N -1 0 315.370 -0.768 20 0 DBADRM O=C([O-])N1CC[C@@H](CNC(=O)NCC(=O)N2CCOCC2)C1 ZINC000834021039 605408909 /nfs/dbraw/zinc/40/89/09/605408909.db2.gz WKQOBYVGIDNUIW-JTQLQIEISA-N -1 0 314.342 -0.856 20 0 DBADRM Cn1cnn(CC(=O)NC[C@]2(C)CCCN(C(=O)[O-])C2)c1=O ZINC000833956641 605415565 /nfs/dbraw/zinc/41/55/65/605415565.db2.gz MLPBREAKICJWAX-ZDUSSCGKSA-N -1 0 311.342 -0.522 20 0 DBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N1CCSCC1 ZINC000833893675 605417989 /nfs/dbraw/zinc/41/79/89/605417989.db2.gz CTUPQERDQQIXPB-MRVPVSSYSA-N -1 0 310.397 -0.367 20 0 DBADRM O=C(CNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])NCC1CC1 ZINC000834005588 605423305 /nfs/dbraw/zinc/42/33/05/605423305.db2.gz QWHBVFMGFVFLEH-NSHDSACASA-N -1 0 313.354 -0.212 20 0 DBADRM Cn1ccsc1=NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-] ZINC000833958268 605423528 /nfs/dbraw/zinc/42/35/28/605423528.db2.gz WABKOXALFGDPTE-SSDOTTSWSA-N -1 0 321.380 -0.415 20 0 DBADRM COC(=O)CCCS(=O)(=O)NC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833878956 605427026 /nfs/dbraw/zinc/42/70/26/605427026.db2.gz KFGCURUGDQNFEH-VIFPVBQESA-N -1 0 308.356 -0.141 20 0 DBADRM Cn1nccc1COC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-] ZINC000833964221 605431717 /nfs/dbraw/zinc/43/17/17/605431717.db2.gz WMCLYVLEMQQMRU-VIFPVBQESA-N -1 0 319.339 -0.466 20 0 DBADRM CN(CC(C)(C)O)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-] ZINC000833870975 605432778 /nfs/dbraw/zinc/43/27/78/605432778.db2.gz QDLJTLWNZFAXMC-MRVPVSSYSA-N -1 0 310.372 -0.713 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nn1cc(Br)cn1 ZINC000834058834 605434823 /nfs/dbraw/zinc/43/48/23/605434823.db2.gz ORBQMPWTBRDIFY-NKWVEPMBSA-N -1 0 319.115 -0.171 20 0 DBADRM Cc1cc(C[C@H](C)NC(=O)CN2CCN(C(=O)[O-])CC2=O)[nH]n1 ZINC000830030694 605436155 /nfs/dbraw/zinc/43/61/55/605436155.db2.gz PVQGDRSTCMXKSW-VIFPVBQESA-N -1 0 323.353 -0.412 20 0 DBADRM Cn1cc([C@H](CO)NC(=O)CCOC2CN(C(=O)[O-])C2)cn1 ZINC000833945303 605436760 /nfs/dbraw/zinc/43/67/60/605436760.db2.gz GRPZSYAFKOOKNC-NSHDSACASA-N -1 0 312.326 -0.661 20 0 DBADRM CCC(CC)(CNC(=O)[O-])C(=O)N1CCN(C(=O)CO)CC1 ZINC000833842482 605436806 /nfs/dbraw/zinc/43/68/06/605436806.db2.gz WOAAOGNUVDGUHX-UHFFFAOYSA-N -1 0 315.370 -0.277 20 0 DBADRM Cn1cc([C@@H](CO)NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)cn1 ZINC000833948248 605437610 /nfs/dbraw/zinc/43/76/10/605437610.db2.gz WWOSLKWRJFZIDT-BXKDBHETSA-N -1 0 300.290 -0.338 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCC(C(=O)NCCO)CC1 ZINC000824134827 605437813 /nfs/dbraw/zinc/43/78/13/605437813.db2.gz APNYNQFUYNTABU-NSHDSACASA-N -1 0 315.370 -0.374 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@@H](OCCO)C2)C1 ZINC000832049499 605438845 /nfs/dbraw/zinc/43/88/45/605438845.db2.gz GFXNMTUBTASYGC-GHMZBOCLSA-N -1 0 302.327 -0.635 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](COC)C(N)=O ZINC000833683585 605440145 /nfs/dbraw/zinc/44/01/45/605440145.db2.gz VBBZFCCCQSYOJS-LURJTMIESA-N -1 0 320.323 -0.681 20 0 DBADRM O=C([O-])N1CCC(=O)[C@@H](OC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC000834285697 605440599 /nfs/dbraw/zinc/44/05/99/605440599.db2.gz VRKFMGMSPYIGKM-VIFPVBQESA-N -1 0 320.261 -0.087 20 0 DBADRM O=C([O-])N1CCSC[C@@H]1CC(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000831400457 605441982 /nfs/dbraw/zinc/44/19/82/605441982.db2.gz CKODSJDDLYIDKV-LPEHRKFASA-N -1 0 304.368 -0.574 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827388025 605444357 /nfs/dbraw/zinc/44/43/57/605444357.db2.gz KZQKUSQOGSBZCJ-VHSXEESVSA-N -1 0 318.326 -0.598 20 0 DBADRM Cn1cnnc1[C@H]1CCCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000833955943 605447883 /nfs/dbraw/zinc/44/78/83/605447883.db2.gz FZFNKBVDTYOUGE-ZJUUUORDSA-N -1 0 309.326 -0.143 20 0 DBADRM O=C([O-])NC[C@@H](C(=O)N[C@@H]1CCC(=O)NC1=O)c1ccccc1 ZINC000832404068 605447983 /nfs/dbraw/zinc/44/79/83/605447983.db2.gz XQVFHAZHUQZZBC-GHMZBOCLSA-N -1 0 319.317 -0.041 20 0 DBADRM CC(C)(C)n1cnc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC000819940614 605450739 /nfs/dbraw/zinc/45/07/39/605450739.db2.gz VFTHQVBZVZILSQ-MRVPVSSYSA-N -1 0 309.326 -0.095 20 0 DBADRM Cn1cnnc1[C@@H]1CCCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000833956369 605452084 /nfs/dbraw/zinc/45/20/84/605452084.db2.gz LXZCGDQOFGSGQK-JTQLQIEISA-N -1 0 309.326 -0.143 20 0 DBADRM COCCN(CCNC(=O)NCc1nnc(C)o1)C(=O)[O-] ZINC000833885403 605452859 /nfs/dbraw/zinc/45/28/59/605452859.db2.gz DYTLFNWWHCDVHG-UHFFFAOYSA-N -1 0 301.303 -0.196 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CC[C@H](NC(=O)[O-])C[C@@H]2C)nn1 ZINC000825528262 605458952 /nfs/dbraw/zinc/45/89/52/605458952.db2.gz LKPUVOQEKJPGKC-GUBZILKMSA-N -1 0 311.342 -0.022 20 0 DBADRM CN(C[C@H]1CCN(c2ccc(C(=O)NCCO)nn2)C1)C(=O)[O-] ZINC000828266389 605459257 /nfs/dbraw/zinc/45/92/57/605459257.db2.gz FSMHYPVCWBXJLK-SNVBAGLBSA-N -1 0 323.353 -0.365 20 0 DBADRM C[C@@H]1CN(c2ccc(C(=O)NCCO)nn2)CCN1C(=O)[O-] ZINC000826082049 605460855 /nfs/dbraw/zinc/46/08/55/605460855.db2.gz ILQJXBXYKTUMIU-SECBINFHSA-N -1 0 309.326 -0.613 20 0 DBADRM CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC000833441810 605468749 /nfs/dbraw/zinc/46/87/49/605468749.db2.gz NPTCWFMEHVXMCD-BDAKNGLRSA-N -1 0 318.326 -0.816 20 0 DBADRM O=C(CC[C@@H]1CCCN1C(=O)[O-])NCCN1C(=O)CNC1=O ZINC000833996526 605470353 /nfs/dbraw/zinc/47/03/53/605470353.db2.gz PJYXEJGDUZNUNA-VIFPVBQESA-N -1 0 312.326 -0.423 20 0 DBADRM CC(C)OC[C@@H](O)CN(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000824394742 605474264 /nfs/dbraw/zinc/47/42/64/605474264.db2.gz VOCJSTOMZKCYHX-LBPRGKRZSA-N -1 0 317.386 -0.474 20 0 DBADRM CC(C)OC[C@H](O)CN(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000824394741 605474328 /nfs/dbraw/zinc/47/43/28/605474328.db2.gz VOCJSTOMZKCYHX-GFCCVEGCSA-N -1 0 317.386 -0.474 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)Nc1nncs1 ZINC000833797832 605479270 /nfs/dbraw/zinc/47/92/70/605479270.db2.gz FEHKMGHYDBKPIG-ZETCQYMHSA-N -1 0 301.328 -0.115 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NCCNS(C)(=O)=O)C1 ZINC000833817380 605502994 /nfs/dbraw/zinc/50/29/94/605502994.db2.gz OALVBAYLVUMQTO-RKDXNWHRSA-N -1 0 322.387 -0.777 20 0 DBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NN1CCCCC1 ZINC000833895036 605503679 /nfs/dbraw/zinc/50/36/79/605503679.db2.gz PVLVDWOFCSKDKQ-VIFPVBQESA-N -1 0 307.372 -0.426 20 0 DBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCCNS(C)(=O)=O ZINC000825824658 605505471 /nfs/dbraw/zinc/50/54/71/605505471.db2.gz UNYVPTKRRAZWAP-DTWKUNHWSA-N -1 0 322.387 -0.634 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)OC[C@H]1CCOC1 ZINC000833797866 605512851 /nfs/dbraw/zinc/51/28/51/605512851.db2.gz IQURSVRKSHWXHQ-ONGXEEELSA-N -1 0 302.327 -0.026 20 0 DBADRM O=C([O-])N1CC(C(=O)NCc2ccc(-n3cncn3)nc2)C1 ZINC000834050607 605513467 /nfs/dbraw/zinc/51/34/67/605513467.db2.gz YUSDHVBJHRBVPD-UHFFFAOYSA-N -1 0 302.294 -0.112 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCCS(C)(=O)=O ZINC000825822620 605520682 /nfs/dbraw/zinc/52/06/82/605520682.db2.gz JOSKNKVOKDQQGE-IUCAKERBSA-N -1 0 307.372 -0.139 20 0 DBADRM COCCN(C)S(=O)(=O)N1CC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000833883622 605521125 /nfs/dbraw/zinc/52/11/25/605521125.db2.gz NWIUFNUACUKDEW-UWVGGRQHSA-N -1 0 309.388 -0.213 20 0 DBADRM CN(CCN(C)C(=O)c1ccnc2c(C(N)=O)cnn21)C(=O)[O-] ZINC000833873517 605522063 /nfs/dbraw/zinc/52/20/63/605522063.db2.gz XZTKVHWZDKQBTA-UHFFFAOYSA-N -1 0 320.309 -0.490 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N2CCCC3(C2)OCCO3)C1 ZINC000834070261 605529236 /nfs/dbraw/zinc/52/92/36/605529236.db2.gz SGOIBGPIOIHELP-UHFFFAOYSA-N -1 0 300.311 -0.269 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3ccc4nncn4c3)C2)nn1 ZINC000833783866 605533301 /nfs/dbraw/zinc/53/33/01/605533301.db2.gz BUVAKMBSRLHVLI-UHFFFAOYSA-N -1 0 313.277 -0.284 20 0 DBADRM CN(CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)C(=O)C1CC1 ZINC000833691100 605534950 /nfs/dbraw/zinc/53/49/50/605534950.db2.gz JITVOSSHZBSCGZ-UHFFFAOYSA-N -1 0 307.310 -0.772 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC000833392795 605536931 /nfs/dbraw/zinc/53/69/31/605536931.db2.gz LOUNYDVQQLDXRV-CQSZACIVSA-N -1 0 321.337 -0.382 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCSC[C@@H]2CCO)C1 ZINC000834117668 605543758 /nfs/dbraw/zinc/54/37/58/605543758.db2.gz SONWOYMFOQHAGW-VHSXEESVSA-N -1 0 304.368 -0.308 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000833508831 605544363 /nfs/dbraw/zinc/54/43/63/605544363.db2.gz DLLNAUHPHFXVOI-VIFPVBQESA-N -1 0 310.314 -0.948 20 0 DBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2CCOC[C@H]2CCO)C1 ZINC000834105951 605544940 /nfs/dbraw/zinc/54/49/40/605544940.db2.gz QKHHIAROXRGSAU-NEPJUHHUSA-N -1 0 316.354 -0.245 20 0 DBADRM O=C([O-])NC1CCN(CC(=O)N2CCOC[C@@H]2CCO)CC1 ZINC000834181014 605545995 /nfs/dbraw/zinc/54/59/95/605545995.db2.gz COJGHRBFLPBDIY-LBPRGKRZSA-N -1 0 315.370 -0.672 20 0 DBADRM O=C([O-])NC1(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CCCC1 ZINC000834151168 605546894 /nfs/dbraw/zinc/54/68/94/605546894.db2.gz DNPCDGMGZDOTIP-QMMMGPOBSA-N -1 0 310.310 -0.671 20 0 DBADRM O=C([O-])N1CCCC[C@H]1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000834290200 605547623 /nfs/dbraw/zinc/54/76/23/605547623.db2.gz QFWWMBSWFIYCCW-DTWKUNHWSA-N -1 0 310.310 -0.719 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)NC[C@H]1CCN(C(=O)[O-])C1 ZINC000833992987 605550869 /nfs/dbraw/zinc/55/08/69/605550869.db2.gz PENDBQUVTLNWPZ-SNVBAGLBSA-N -1 0 319.383 -0.472 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)COC1CN(C(=O)[O-])C1 ZINC000833863327 605554970 /nfs/dbraw/zinc/55/49/70/605554970.db2.gz JPLOMRGXHIKOJY-UHFFFAOYSA-N -1 0 308.356 -0.742 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)C3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000833950850 605555817 /nfs/dbraw/zinc/55/58/17/605555817.db2.gz RDVPNJOBYOFEBB-SNVBAGLBSA-N -1 0 307.310 -0.749 20 0 DBADRM CCS(=O)(=O)CCN(C)C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000833863870 605555976 /nfs/dbraw/zinc/55/59/76/605555976.db2.gz TVRKSJWVEIUAGQ-NSHDSACASA-N -1 0 310.347 -0.029 20 0 DBADRM COCCN1CCN(C(=O)c2cnc(C(=O)[O-])cn2)C[C@@H]1C ZINC000833724613 605568313 /nfs/dbraw/zinc/56/83/13/605568313.db2.gz PDLGUJZDGPCACA-JTQLQIEISA-N -1 0 308.338 -0.033 20 0 DBADRM O=C([O-])N1CC[C@H](N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000834085298 605584513 /nfs/dbraw/zinc/58/45/13/605584513.db2.gz RCQWQKJWHHZTLY-LBPRGKRZSA-N -1 0 324.381 -0.495 20 0 DBADRM C=CC(=O)NCCC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000823485355 605589018 /nfs/dbraw/zinc/58/90/18/605589018.db2.gz DTRGNORMDUSGNU-UHFFFAOYSA-N -1 0 312.370 -0.519 20 0 DBADRM Cn1ccnc(N2CCN([C@@H]3CCN(C(=O)[O-])C3)CC2)c1=O ZINC000833953333 605608418 /nfs/dbraw/zinc/60/84/18/605608418.db2.gz WMDCJDNHEACELM-LLVKDONJSA-N -1 0 307.354 -0.345 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NCCCNS(C)(=O)=O ZINC000823846411 605612437 /nfs/dbraw/zinc/61/24/37/605612437.db2.gz HQITWTSBSSZNDQ-MRVPVSSYSA-N -1 0 309.388 -0.276 20 0 DBADRM NC(=O)CN1CCC(NC(=O)C[C@@H](NC(=O)[O-])C2CC2)CC1 ZINC000833985814 605619163 /nfs/dbraw/zinc/61/91/63/605619163.db2.gz XULVGPZPPKOLQC-LLVKDONJSA-N -1 0 312.370 -0.511 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)NCCN1C(=O)CCC1=O ZINC000823986989 605622573 /nfs/dbraw/zinc/62/25/73/605622573.db2.gz ZMDLOTQBVHRWAF-UHFFFAOYSA-N -1 0 300.315 -0.519 20 0 DBADRM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)NCCO ZINC000834006000 605623700 /nfs/dbraw/zinc/62/37/00/605623700.db2.gz VQELRCWCOTWOEX-GFCCVEGCSA-N -1 0 321.333 -0.684 20 0 DBADRM O=C([O-])N1CCC[C@H](NC(=O)NCCN2CCOCC2)C1 ZINC000739420719 605623929 /nfs/dbraw/zinc/62/39/29/605623929.db2.gz YJYCDXMPBJLNSN-NSHDSACASA-N -1 0 300.359 -0.240 20 0 DBADRM O=C([O-])N[C@@H](CC(=O)NCCC(=O)N1CCOCC1)C1CC1 ZINC000834126093 605628827 /nfs/dbraw/zinc/62/88/27/605628827.db2.gz ZISQVPRWNLFZRJ-NSHDSACASA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])N[C@@H](CC(=O)NC[C@@H](O)CN1CCOCC1)C1CC1 ZINC000834124486 605630367 /nfs/dbraw/zinc/63/03/67/605630367.db2.gz GNKNQGMKBDIHMK-NEPJUHHUSA-N -1 0 315.370 -0.768 20 0 DBADRM O=C(C[C@@H]1CSCCN1C(=O)[O-])N[C@H]1CCCNC1=O ZINC000831408344 605631157 /nfs/dbraw/zinc/63/11/57/605631157.db2.gz MRIAFRVILHRQFV-BDAKNGLRSA-N -1 0 301.368 -0.133 20 0 DBADRM CN1C[C@H](NC(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1=O ZINC000828451714 605634930 /nfs/dbraw/zinc/63/49/30/605634930.db2.gz IGYJSQUCRHLGQJ-RKDXNWHRSA-N -1 0 301.368 -0.181 20 0 DBADRM Cn1nccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000833964349 605635348 /nfs/dbraw/zinc/63/53/48/605635348.db2.gz XNHBFWNMQJMEKW-BDAKNGLRSA-N -1 0 309.326 -0.089 20 0 DBADRM C[C@@]1(C(=O)OCCN2CCOCC2=O)CCN(C(=O)[O-])C1 ZINC000833823258 605640107 /nfs/dbraw/zinc/64/01/07/605640107.db2.gz XWWBZVUYIJCGRF-CYBMUJFWSA-N -1 0 300.311 -0.222 20 0 DBADRM CC(C)(C)NC(=O)NC(=O)COC(=O)c1cnc(C(=O)[O-])cn1 ZINC000833430918 605640540 /nfs/dbraw/zinc/64/05/40/605640540.db2.gz KRWSYDTVAWEREN-UHFFFAOYSA-N -1 0 324.293 -0.044 20 0 DBADRM CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1cnc(C(=O)[O-])cn1 ZINC000833503303 605641963 /nfs/dbraw/zinc/64/19/63/605641963.db2.gz UBVLJLVTYXQFMU-SSDOTTSWSA-N -1 0 324.293 -0.046 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)NC[C@H]2CN3CCN2CC3)C1 ZINC000834085609 605651397 /nfs/dbraw/zinc/65/13/97/605651397.db2.gz SEQPSUCEMBFBBX-GWCFXTLKSA-N -1 0 300.334 -0.806 20 0 DBADRM CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000739515506 605651497 /nfs/dbraw/zinc/65/14/97/605651497.db2.gz MKNRCJFFBSVHNN-SECBINFHSA-N -1 0 307.372 -0.185 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)Cc2cnn(C)c2)[C@@H](C(=O)[O-])C1 ZINC000833710153 605651576 /nfs/dbraw/zinc/65/15/76/605651576.db2.gz ORGKCLSGFYDKBE-WDEREUQCSA-N -1 0 309.322 -0.173 20 0 DBADRM CC(C)(CNC(=O)[O-])NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000823986196 605656695 /nfs/dbraw/zinc/65/66/95/605656695.db2.gz MSRDIXCGDLGCRP-YUMQZZPRSA-N -1 0 302.331 -0.635 20 0 DBADRM CN1CC[C@@H](NC(=O)C[C@@H]2CSCCN2C(=O)[O-])C1=O ZINC000828466124 605658677 /nfs/dbraw/zinc/65/86/77/605658677.db2.gz LDEIXSXMNSBZBX-RKDXNWHRSA-N -1 0 301.368 -0.181 20 0 DBADRM CN1CCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CC1=O ZINC000828494275 605658818 /nfs/dbraw/zinc/65/88/18/605658818.db2.gz IZOIZGIGCXWJGI-VIFPVBQESA-N -1 0 301.368 -0.228 20 0 DBADRM O=C([O-])N1CCC(CNC(=O)NCC2(CO)COC2)CC1 ZINC000834032584 605659018 /nfs/dbraw/zinc/65/90/18/605659018.db2.gz YHEWSSMXQNGYEK-UHFFFAOYSA-N -1 0 301.343 -0.316 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H]1CCCn2ccnc21 ZINC000834031866 605659046 /nfs/dbraw/zinc/65/90/46/605659046.db2.gz LCLTVMIOGLTSSW-HBNTYKKESA-N -1 0 308.338 -0.010 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NC[C@@H]1CCCn2ccnc21 ZINC000834031861 605659147 /nfs/dbraw/zinc/65/91/47/605659147.db2.gz LCLTVMIOGLTSSW-DCAQKATOSA-N -1 0 308.338 -0.010 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCOc1ncccc1F ZINC000834041943 605662903 /nfs/dbraw/zinc/66/29/03/605662903.db2.gz CGWOMMHTNWANNH-WPRPVWTQSA-N -1 0 313.285 -0.171 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2 ZINC000833983857 605666731 /nfs/dbraw/zinc/66/67/31/605666731.db2.gz KXEGGAQFTQHQPN-QMMMGPOBSA-N -1 0 309.278 -0.092 20 0 DBADRM NC(=O)[C@H]1COCCN1C(=O)[C@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833979080 605667188 /nfs/dbraw/zinc/66/71/88/605667188.db2.gz BXCLCXGBYLBACC-NXEZZACHSA-N -1 0 311.338 -0.521 20 0 DBADRM NC(=O)[C@@H]1COCCN1C(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000833979210 605668728 /nfs/dbraw/zinc/66/87/28/605668728.db2.gz DBPINQMFMYFTDN-IUCAKERBSA-N -1 0 317.367 -0.815 20 0 DBADRM COCc1nc(CN(CCN2CCOCC2)CC(=O)[O-])no1 ZINC000833726972 605676573 /nfs/dbraw/zinc/67/65/73/605676573.db2.gz XYAACXGDIXKWCE-UHFFFAOYSA-N -1 0 314.342 -0.565 20 0 DBADRM Cn1nc2c(c1NC(=O)C(=O)N1CC[C@@H](NC(=O)[O-])C1)CCC2 ZINC000833959712 605682627 /nfs/dbraw/zinc/68/26/27/605682627.db2.gz XIBGZPPELDVICH-MRVPVSSYSA-N -1 0 321.337 -0.284 20 0 DBADRM CCNC(=O)NC(=O)CN1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC000833657890 605684876 /nfs/dbraw/zinc/68/48/76/605684876.db2.gz SULDQUSKGTUNMN-DTWKUNHWSA-N -1 0 315.326 -0.830 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000823843829 605688390 /nfs/dbraw/zinc/68/83/90/605688390.db2.gz RPJXHXXKZJCAEB-MRVPVSSYSA-N -1 0 322.387 -0.984 20 0 DBADRM COC(=O)[C@H]1CCN(CC(=O)Nc2ccon2)[C@H](C(=O)[O-])C1 ZINC000833708207 605689782 /nfs/dbraw/zinc/68/97/82/605689782.db2.gz OJSIDXHGIJCSQJ-IUCAKERBSA-N -1 0 311.294 -0.049 20 0 DBADRM COC(=O)[C@@H]1CCN(CC(=O)Nc2ccon2)[C@@H](C(=O)[O-])C1 ZINC000833708208 605690016 /nfs/dbraw/zinc/69/00/16/605690016.db2.gz OJSIDXHGIJCSQJ-RKDXNWHRSA-N -1 0 311.294 -0.049 20 0 DBADRM C[C@H]1CN(C(=O)[O-])CCN1CC1(O)CCS(=O)(=O)CC1 ZINC000826027786 605694767 /nfs/dbraw/zinc/69/47/67/605694767.db2.gz WHBOAIMLEJHHQL-JTQLQIEISA-N -1 0 306.384 -0.390 20 0 DBADRM O=C([O-])N1CCN(C(=O)CNS(=O)(=O)CCC2CC2)CC1 ZINC000834114360 605699595 /nfs/dbraw/zinc/69/95/95/605699595.db2.gz AUDYRAYYZCLRIW-UHFFFAOYSA-N -1 0 319.383 -0.472 20 0 DBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2CC(n3ccnn3)C2)C1 ZINC000834103244 605700151 /nfs/dbraw/zinc/70/01/51/605700151.db2.gz HSUSHXMZSIQZLF-LLVKDONJSA-N -1 0 309.326 -0.180 20 0 DBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000833838253 605706925 /nfs/dbraw/zinc/70/69/25/605706925.db2.gz CCRPROIZFBCZND-JRKPZEMJSA-N -1 0 301.343 -0.181 20 0 DBADRM CC(C)(C)C[C@H](CO)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000833791304 605708585 /nfs/dbraw/zinc/70/85/85/605708585.db2.gz WNAPNGIWNLWCGF-SNVBAGLBSA-N -1 0 315.370 -0.278 20 0 DBADRM O=C(COC1CN(C(=O)[O-])C1)OCC(=O)C1CCOCC1 ZINC000834012186 605718468 /nfs/dbraw/zinc/71/84/68/605718468.db2.gz VHOLPZVONVQFKS-UHFFFAOYSA-N -1 0 301.295 -0.096 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)OCC(=O)C2CCOCC2)C1 ZINC000834005584 605718653 /nfs/dbraw/zinc/71/86/53/605718653.db2.gz HBNTWUUWTVKUQT-LLVKDONJSA-N -1 0 301.295 -0.096 20 0 DBADRM COC(=O)C[C@H]1CCCN1C(=O)[C@H]1COCCN1C(=O)[O-] ZINC000828656766 605719198 /nfs/dbraw/zinc/71/91/98/605719198.db2.gz YPJRFNHBLUCKCU-NXEZZACHSA-N -1 0 300.311 -0.081 20 0 DBADRM O=C([O-])N1CCN(CC(=O)Nc2nc3ccccn3n2)C(=O)C1 ZINC000834006476 605720239 /nfs/dbraw/zinc/72/02/39/605720239.db2.gz VNXNPFNQIFFTJC-UHFFFAOYSA-N -1 0 318.293 -0.510 20 0 DBADRM C[C@@H](CS(C)(=O)=O)NC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000825014963 605721364 /nfs/dbraw/zinc/72/13/64/605721364.db2.gz BVWRFSMYWLNWIB-VIFPVBQESA-N -1 0 321.399 -0.732 20 0 DBADRM O=C([O-])N1CC(OCC(=O)N[C@H](CO)CC(F)(F)F)C1 ZINC000834011578 605723583 /nfs/dbraw/zinc/72/35/83/605723583.db2.gz XWHBBLGWARPEPG-LURJTMIESA-N -1 0 300.233 -0.205 20 0 DBADRM O=C([O-])N1CCO[C@H](C(=O)N[C@@H](CO)CC(F)(F)F)C1 ZINC000834015546 605723631 /nfs/dbraw/zinc/72/36/31/605723631.db2.gz QZAGJNKFRREXCW-RQJHMYQMSA-N -1 0 300.233 -0.205 20 0 DBADRM Cn1c(Cl)ncc1S(=O)(=O)NCC1CN(C(=O)[O-])C1 ZINC000833943149 605726098 /nfs/dbraw/zinc/72/60/98/605726098.db2.gz DNJAQYJYIVFCEZ-UHFFFAOYSA-N -1 0 308.747 -0.038 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000834035417 605728845 /nfs/dbraw/zinc/72/88/45/605728845.db2.gz PJDBCZRUSMULMW-MRVPVSSYSA-N -1 0 305.356 -0.670 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CN1CCC(=O)NC1=O ZINC000825809741 605729341 /nfs/dbraw/zinc/72/93/41/605729341.db2.gz QIJSCEPHILWYQF-BDAKNGLRSA-N -1 0 312.326 -0.425 20 0 DBADRM Cn1c(NCC2CN(C(=O)[O-])C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000833942288 605730235 /nfs/dbraw/zinc/73/02/35/605730235.db2.gz QJAVNDKEDRUPNM-UHFFFAOYSA-N -1 0 308.298 -0.606 20 0 DBADRM O=C([O-])N1CC(CNC(=O)NCC(=O)NCC(F)(F)F)C1 ZINC000834004712 605731953 /nfs/dbraw/zinc/73/19/53/605731953.db2.gz HTRMPMDLTBORJF-UHFFFAOYSA-N -1 0 312.248 -0.426 20 0 DBADRM CN(C(=O)CN1CCC(NC(=O)[O-])CC1)[C@@H]1CCN(C)C1=O ZINC000828466126 605735239 /nfs/dbraw/zinc/73/52/39/605735239.db2.gz LDGNFYJVGFCHOA-LLVKDONJSA-N -1 0 312.370 -0.593 20 0 DBADRM CSC[C@](C)(O)CNC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000829716240 605735281 /nfs/dbraw/zinc/73/52/81/605735281.db2.gz FMNGJRMBAYDXDC-CYBMUJFWSA-N -1 0 319.427 -0.051 20 0 DBADRM CSC[C@@](C)(O)CNC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000829716241 605735430 /nfs/dbraw/zinc/73/54/30/605735430.db2.gz FMNGJRMBAYDXDC-ZDUSSCGKSA-N -1 0 319.427 -0.051 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCC1CN(C(=O)[O-])C1 ZINC000834008442 605745102 /nfs/dbraw/zinc/74/51/02/605745102.db2.gz ZJQGCTWCGMJXFQ-PHIMTYICSA-N -1 0 323.349 -0.112 20 0 DBADRM Cn1cccc(NC(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])c1=O ZINC000828507298 605746780 /nfs/dbraw/zinc/74/67/80/605746780.db2.gz OCJYGQCWJHSROC-JTQLQIEISA-N -1 0 323.353 -0.199 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1cn2ccccc2n1 ZINC000833981482 605750066 /nfs/dbraw/zinc/75/00/66/605750066.db2.gz FZDRSYVFDOILJZ-SECBINFHSA-N -1 0 305.294 -0.538 20 0 DBADRM Cc1ccc([C@H](O)CNC(=O)[C@H](CC(N)=O)NC(=O)[O-])cc1 ZINC000833905988 605752020 /nfs/dbraw/zinc/75/20/20/605752020.db2.gz ZWTFHIHDNDYGRP-WDEREUQCSA-N -1 0 309.322 -0.344 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000833983623 605752315 /nfs/dbraw/zinc/75/23/15/605752315.db2.gz JLIDEBMQNMZSPJ-ZETCQYMHSA-N -1 0 308.250 -0.017 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CC(Oc2ccncc2)C1 ZINC000833980017 605756524 /nfs/dbraw/zinc/75/65/24/605756524.db2.gz JBVSHBZBEZUPLJ-SNVBAGLBSA-N -1 0 308.294 -0.817 20 0 DBADRM Cn1cc(C2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])CC2)cn1 ZINC000833946916 605759897 /nfs/dbraw/zinc/75/98/97/605759897.db2.gz KYRBHCZLYYHLSY-NSHDSACASA-N -1 0 323.353 -0.362 20 0 DBADRM CN(C)c1nc(CNC(=O)[C@H](CC(N)=O)NC(=O)[O-])cs1 ZINC000833871677 605761606 /nfs/dbraw/zinc/76/16/06/605761606.db2.gz XBTYCTOFJIKBPP-ZETCQYMHSA-N -1 0 315.355 -0.663 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000833979090 605761646 /nfs/dbraw/zinc/76/16/46/605761646.db2.gz BZECOXJOQCXZLC-ZJUUUORDSA-N -1 0 322.321 -0.427 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000833985311 605763085 /nfs/dbraw/zinc/76/30/85/605763085.db2.gz XWYJWOPBFRHXKN-JTQLQIEISA-N -1 0 318.293 -0.283 20 0 DBADRM O=C([O-])N[C@@H]1CCCN(C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000834183385 605764860 /nfs/dbraw/zinc/76/48/60/605764860.db2.gz PNTZITWAARBWCF-SECBINFHSA-N -1 0 324.341 -0.419 20 0 DBADRM CN1CCC[C@H](NC(=O)CN2CCC(NC(=O)[O-])CC2)C1=O ZINC000828480212 605765871 /nfs/dbraw/zinc/76/58/71/605765871.db2.gz FCZATVLOVPCDAO-NSHDSACASA-N -1 0 312.370 -0.545 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000825815701 605767169 /nfs/dbraw/zinc/76/71/69/605767169.db2.gz DTSFYFXAPKIARL-UWVGGRQHSA-N -1 0 324.337 -0.806 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2ccccc2=O)[C@@H](C(=O)[O-])C1 ZINC000833710367 605771935 /nfs/dbraw/zinc/77/19/35/605771935.db2.gz PGXKTASRJQPCCO-GHMZBOCLSA-N -1 0 322.317 -0.287 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2cccnc2=O)[C@H](C(=O)[O-])C1 ZINC000833707641 605772401 /nfs/dbraw/zinc/77/24/01/605772401.db2.gz GWYFPWUCSKTGLC-ZJUUUORDSA-N -1 0 323.305 -0.892 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000834018716 605775433 /nfs/dbraw/zinc/77/54/33/605775433.db2.gz LTZWYYDOWPVISQ-ZBAXXZLZSA-N -1 0 306.318 -0.126 20 0 DBADRM O=C([O-])N1CC(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000834027326 605784621 /nfs/dbraw/zinc/78/46/21/605784621.db2.gz GAZUIVBPZGRLBV-SECBINFHSA-N -1 0 307.310 -0.511 20 0 DBADRM O=C([O-])N1CCC[C@@H](C(=O)NCCCN2CCNC(=O)C2)C1 ZINC000834289645 605787119 /nfs/dbraw/zinc/78/71/19/605787119.db2.gz NPMRYQFTCHLNOE-LLVKDONJSA-N -1 0 312.370 -0.686 20 0 DBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000824211416 605787464 /nfs/dbraw/zinc/78/74/64/605787464.db2.gz PTNIPIAKQZXLEZ-GUBZILKMSA-N -1 0 301.343 -0.182 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@H]1CCCS1(=O)=O ZINC000833809779 605796950 /nfs/dbraw/zinc/79/69/50/605796950.db2.gz VZSADNZTKCWLRP-DTWKUNHWSA-N -1 0 307.372 -0.234 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@@H](NC(=O)[O-])C1CC1 ZINC000833878598 605802953 /nfs/dbraw/zinc/80/29/53/605802953.db2.gz IQLWKQANPOGVBV-SECBINFHSA-N -1 0 323.371 -0.638 20 0 DBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CCCOC(=O)NC(N)=O)CCO1 ZINC000833820859 605805318 /nfs/dbraw/zinc/80/53/18/605805318.db2.gz UYBHHIOJIAXUCV-IUCAKERBSA-N -1 0 318.330 -0.462 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCS[C@@H]2COCC[C@H]21 ZINC000831852191 605808077 /nfs/dbraw/zinc/80/80/77/605808077.db2.gz LYLFXDITISJTJN-GWOFURMSSA-N -1 0 316.379 -0.168 20 0 DBADRM CS[C@H](CO)[C@@H](C)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000829711119 605809706 /nfs/dbraw/zinc/80/97/06/605809706.db2.gz SHPFRNQSFVXCMM-KXUCPTDWSA-N -1 0 306.384 -0.016 20 0 DBADRM O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCN(CCO)CC1 ZINC000831402156 605810015 /nfs/dbraw/zinc/81/00/15/605810015.db2.gz LBPOIHOGKKIOFX-NSHDSACASA-N -1 0 317.411 -0.392 20 0 DBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)Nc1nnc2n1CCCC2 ZINC000834006779 605817338 /nfs/dbraw/zinc/81/73/38/605817338.db2.gz ZIGPVOAPTMAKCI-UHFFFAOYSA-N -1 0 322.325 -0.625 20 0 DBADRM Cn1nnnc1COC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000831064540 605817913 /nfs/dbraw/zinc/81/79/13/605817913.db2.gz IIQZCJMKAADUER-SSDOTTSWSA-N -1 0 301.328 -0.261 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000834023038 605818847 /nfs/dbraw/zinc/81/88/47/605818847.db2.gz UGSACBKAGOQNLN-GXSJLCMTSA-N -1 0 311.338 -0.508 20 0 DBADRM CCc1ncc(NC(=O)C(=O)NC[C@@H](C)CNC(=O)[O-])cn1 ZINC000833867092 605819931 /nfs/dbraw/zinc/81/99/31/605819931.db2.gz QVDXJDCGCLOYNG-MRVPVSSYSA-N -1 0 309.326 -0.003 20 0 DBADRM C[C@H](OC(=O)C[C@@H]1CSCCN1C(=O)[O-])C(=O)NC(N)=O ZINC000825585083 605820803 /nfs/dbraw/zinc/82/08/03/605820803.db2.gz HWTHEZGQYPCIAB-NKWVEPMBSA-N -1 0 319.339 -0.402 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)NC[C@H](NC(=O)[O-])C2CC2)O1 ZINC000833980863 605823793 /nfs/dbraw/zinc/82/37/93/605823793.db2.gz NFBJJZLEWCQUGY-UTLUCORTSA-N -1 0 314.342 -0.635 20 0 DBADRM C[C@@H](OC(=O)c1cc(C(=O)[O-])no1)C(=O)NC(=O)NC1CC1 ZINC000833534114 605824302 /nfs/dbraw/zinc/82/43/02/605824302.db2.gz SZVCFIDVIWQRNP-RXMQYKEDSA-N -1 0 311.250 -0.094 20 0 DBADRM Cc1nnc2n1C[C@H](NC(=O)NCC1CN(C(=O)[O-])C1)CC2 ZINC000833928421 605824511 /nfs/dbraw/zinc/82/45/11/605824511.db2.gz SCZZMKXHLDSJFN-SNVBAGLBSA-N -1 0 308.342 -0.190 20 0 DBADRM C[C@H](CNC(=O)[O-])CNC(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000833808365 605827087 /nfs/dbraw/zinc/82/70/87/605827087.db2.gz DFWRNNOUPITKFU-ZETCQYMHSA-N -1 0 323.313 -0.193 20 0 DBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCC(OCCO)CC2)C1 ZINC000834117285 605835370 /nfs/dbraw/zinc/83/53/70/605835370.db2.gz QODVEKUFASOXRZ-LBPRGKRZSA-N -1 0 316.354 -0.245 20 0 DBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC(OCCO)CC2)C1 ZINC000834117581 605835866 /nfs/dbraw/zinc/83/58/66/605835866.db2.gz RUWVHHZNCMHHBC-LLVKDONJSA-N -1 0 302.327 -0.635 20 0 DBADRM NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[O-] ZINC000833984313 605842098 /nfs/dbraw/zinc/84/20/98/605842098.db2.gz CLSBMMSXWCXICM-NSHDSACASA-N -1 0 304.306 -0.052 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)NC[C@@H](NC(=O)[O-])C2CC2)cn1 ZINC000833948300 605848449 /nfs/dbraw/zinc/84/84/49/605848449.db2.gz XTHJBGHOTGDUMX-GHMZBOCLSA-N -1 0 311.342 -0.201 20 0 DBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000834023374 605851910 /nfs/dbraw/zinc/85/19/10/605851910.db2.gz YRVFKAPALSPISI-GXSJLCMTSA-N -1 0 311.338 -0.508 20 0 DBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000834023375 605851991 /nfs/dbraw/zinc/85/19/91/605851991.db2.gz YRVFKAPALSPISI-KOLCDFICSA-N -1 0 311.338 -0.508 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000834041333 605852258 /nfs/dbraw/zinc/85/22/58/605852258.db2.gz IUNLWDLNUDDPOU-MRVPVSSYSA-N -1 0 313.339 -0.691 20 0 DBADRM O=C([O-])N1CCC2(C[C@@H]2C(=O)NC[C@@H]2CN3CCN2CC3)CC1 ZINC000834035910 605852435 /nfs/dbraw/zinc/85/24/35/605852435.db2.gz AFSRTFHEYYVAMD-CHWSQXEVSA-N -1 0 322.409 -0.118 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000834171837 605852794 /nfs/dbraw/zinc/85/27/94/605852794.db2.gz GSZKNBIZCFWBOI-BDAKNGLRSA-N -1 0 309.326 -0.308 20 0 DBADRM O=C([O-])N1CCC[C@@H](OCC(=O)OCC2(CO)COC2)C1 ZINC000834011070 605858951 /nfs/dbraw/zinc/85/89/51/605858951.db2.gz RLLRZGTYGMIBOW-SNVBAGLBSA-N -1 0 303.311 -0.303 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NCCN2CCNC(=O)C2)C1 ZINC000834168682 605860626 /nfs/dbraw/zinc/86/06/26/605860626.db2.gz PXNFGBXQUVDLLX-WDEREUQCSA-N -1 0 312.370 -0.639 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)CNC(=O)c1ccccn1)C1CC1 ZINC000834142157 605866552 /nfs/dbraw/zinc/86/65/52/605866552.db2.gz YVLFWEOPLIMDQL-NSHDSACASA-N -1 0 306.322 -0.026 20 0 DBADRM O=C([O-])NCCNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000834243889 605869912 /nfs/dbraw/zinc/86/99/12/605869912.db2.gz QPJQIQCKTUHUPT-QMMMGPOBSA-N -1 0 304.328 -0.610 20 0 DBADRM CCN(CCCNC(=O)[C@H]1COCCN1C(C)=O)C(=O)[O-] ZINC000833858312 605873330 /nfs/dbraw/zinc/87/33/30/605873330.db2.gz GZMXVHIVZQOCGI-LLVKDONJSA-N -1 0 301.343 -0.260 20 0 DBADRM O=C([O-])N(CC(=O)N1CCO[C@@H](CO)C1)C[C@H]1CCCO1 ZINC000831821022 605877372 /nfs/dbraw/zinc/87/73/72/605877372.db2.gz OVKSJDCIKGVGSZ-GHMZBOCLSA-N -1 0 302.327 -0.635 20 0 DBADRM O=C([O-])Nc1ccc(C(=O)NCCN2CCNC(=O)C2)cc1 ZINC000834257379 605879711 /nfs/dbraw/zinc/87/97/11/605879711.db2.gz LZXZDQLREZEHRL-UHFFFAOYSA-N -1 0 306.322 -0.062 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000831244864 605881553 /nfs/dbraw/zinc/88/15/53/605881553.db2.gz DCMVWVKJLAHFMB-NXEZZACHSA-N -1 0 319.383 -0.344 20 0 DBADRM CS(=O)(=O)CCNC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000829674320 605886076 /nfs/dbraw/zinc/88/60/76/605886076.db2.gz PJMGMZLIVXEQHG-JTQLQIEISA-N -1 0 319.383 -0.043 20 0 DBADRM COC[C@]1(C)NC(=O)N(CN2CC[C@H](NC(=O)[O-])C2)C1=O ZINC000739809806 605902387 /nfs/dbraw/zinc/90/23/87/605902387.db2.gz GVFRQGBMFRLJET-UFBFGSQYSA-N -1 0 300.315 -0.757 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000834196311 605903517 /nfs/dbraw/zinc/90/35/17/605903517.db2.gz MFCKGDOIESMGLV-SECBINFHSA-N -1 0 315.326 -0.828 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NCC[C@H](C)NC(=O)[O-])CCO1 ZINC000833876571 605908684 /nfs/dbraw/zinc/90/86/84/605908684.db2.gz IFFXRPSRSIUYAE-DTWKUNHWSA-N -1 0 302.331 -0.811 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CCO1 ZINC000833878491 605909250 /nfs/dbraw/zinc/90/92/50/605909250.db2.gz SUEHSXVVZSIFDP-ZJUUUORDSA-N -1 0 314.342 -0.715 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)NC2CCN(C(=O)[O-])CC2)CCO1 ZINC000833877371 605909374 /nfs/dbraw/zinc/90/93/74/605909374.db2.gz MPCVHJLNZUURHL-JTQLQIEISA-N -1 0 314.342 -0.715 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)NC[C@@H](NC(=O)[O-])C2CC2)CCO1 ZINC000833879109 605911220 /nfs/dbraw/zinc/91/12/20/605911220.db2.gz WVROSJUJYOMWCX-NXEZZACHSA-N -1 0 314.342 -0.811 20 0 DBADRM NC(=O)COCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[O-] ZINC000833985781 605912367 /nfs/dbraw/zinc/91/23/67/605912367.db2.gz WATURLWIHTZRNM-DCAQKATOSA-N -1 0 313.354 -0.084 20 0 DBADRM NC(=O)COCCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[O-] ZINC000833984833 605912470 /nfs/dbraw/zinc/91/24/70/605912470.db2.gz JEIMSOXHMJGXBL-GFCCVEGCSA-N -1 0 321.333 -0.291 20 0 DBADRM O=C([O-])N[C@H](CNC(=O)CCCN1C(=O)CNC1=O)C1CC1 ZINC000834140364 605912849 /nfs/dbraw/zinc/91/28/49/605912849.db2.gz NPMVMONSORWNNS-SECBINFHSA-N -1 0 312.326 -0.519 20 0 DBADRM O=C([O-])NCCOc1cccc(NC(=O)NC[C@@H](O)CO)c1 ZINC000834244594 605921551 /nfs/dbraw/zinc/92/15/51/605921551.db2.gz BCVWWVYZKMUTNT-SNVBAGLBSA-N -1 0 313.310 -0.192 20 0 DBADRM O=C([O-])N1CCN(CC(=O)NCc2ncccc2F)C(=O)C1 ZINC000834006783 605921720 /nfs/dbraw/zinc/92/17/20/605921720.db2.gz ZNGSEAMEMOEOPG-UHFFFAOYSA-N -1 0 310.285 -0.341 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)NC[C@@H](C)CNC(=O)[O-] ZINC000833896952 605921789 /nfs/dbraw/zinc/92/17/89/605921789.db2.gz BWNXCSGFXSNTGT-MRVPVSSYSA-N -1 0 324.337 -0.348 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N(C)CCCNC(=O)[O-] ZINC000833897060 605921869 /nfs/dbraw/zinc/92/18/69/605921869.db2.gz DKWHXORJHRUPCT-UHFFFAOYSA-N -1 0 324.337 -0.252 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000833897946 605921897 /nfs/dbraw/zinc/92/18/97/605921897.db2.gz PIDXCICDDHQLPH-VIFPVBQESA-N -1 0 322.321 -0.499 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)CCCCNC(=O)[O-])C1 ZINC000833987072 605922692 /nfs/dbraw/zinc/92/26/92/605922692.db2.gz XLAHCLVHQXTXPS-SNVBAGLBSA-N -1 0 321.399 -0.049 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H](C)CCNC(=O)[O-] ZINC000833897734 605923016 /nfs/dbraw/zinc/92/30/16/605923016.db2.gz OHMYEMCHIJSNLT-SECBINFHSA-N -1 0 324.337 -0.205 20 0 DBADRM CC(C)CNC(=O)CON=C(N)[C@H]1COCCN1C(=O)[O-] ZINC000833794883 605924318 /nfs/dbraw/zinc/92/43/18/605924318.db2.gz BAJVLAJYCKALSX-SECBINFHSA-N -1 0 302.331 -0.364 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)CCO1 ZINC000833879386 605929698 /nfs/dbraw/zinc/92/96/98/605929698.db2.gz YBVODODQGCFAFX-MXWKQRLJSA-N -1 0 313.354 -0.214 20 0 DBADRM CC(C)c1ccc(NC(=O)C(=O)NC(CO)CO)c(C(=O)[O-])c1 ZINC000833509920 605930751 /nfs/dbraw/zinc/93/07/51/605930751.db2.gz DOTKTHFPGKUXMY-UHFFFAOYSA-N -1 0 324.333 -0.084 20 0 DBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NN1Cc2ccccc2C1=O ZINC000834044682 605935196 /nfs/dbraw/zinc/93/51/96/605935196.db2.gz HCSFGLOBLRGWTK-MWLCHTKSSA-N -1 0 305.290 -0.213 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)C2CCC(NC(=O)[O-])CC2)CCO1 ZINC000833876316 605936118 /nfs/dbraw/zinc/93/61/18/605936118.db2.gz GEASBFILLCIOLK-VQXHTEKXSA-N -1 0 313.354 -0.214 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)C2CCC(NC(=O)[O-])CC2)CCO1 ZINC000833876315 605936140 /nfs/dbraw/zinc/93/61/40/605936140.db2.gz GEASBFILLCIOLK-ILDUYXDCSA-N -1 0 313.354 -0.214 20 0 DBADRM C[C@@H](O)CNC(=O)C(=O)Nc1cnc2c(c1)CN(C(=O)[O-])CC2 ZINC000833896244 605937319 /nfs/dbraw/zinc/93/73/19/605937319.db2.gz WDBBCWGQGXNRDL-MRVPVSSYSA-N -1 0 322.321 -0.447 20 0 DBADRM Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NC1CN(C(=O)[O-])C1 ZINC000833903873 605940756 /nfs/dbraw/zinc/94/07/56/605940756.db2.gz GEKLQLOZOFOCER-UHFFFAOYSA-N -1 0 320.305 -0.489 20 0 DBADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)N1CCNC(=O)C1 ZINC000832234862 605941669 /nfs/dbraw/zinc/94/16/69/605941669.db2.gz LWEJYBDRRFJZAX-YOGCLGLASA-N -1 0 324.381 -0.402 20 0 DBADRM O=C([O-])N[C@@H](CNC(=O)N1CCN2C(=O)NC[C@H]2C1)C1CC1 ZINC000834144998 605944764 /nfs/dbraw/zinc/94/47/64/605944764.db2.gz NMZACDGCWWENIT-UWVGGRQHSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CC[C@H](NC(=O)[O-])C2)C[C@H](C)O1 ZINC000739186702 605944870 /nfs/dbraw/zinc/94/48/70/605944870.db2.gz BKVLXOVFTWVNHP-AEJSXWLSSA-N -1 0 307.372 -0.318 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)CNC(=O)NCc2ccco2)C1 ZINC000740590547 605949557 /nfs/dbraw/zinc/94/95/57/605949557.db2.gz WZOFYDVBBDRQJT-VIFPVBQESA-N -1 0 310.310 -0.053 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)N[C@@H](CO)C2CCOCC2)C1 ZINC000834018008 605967647 /nfs/dbraw/zinc/96/76/47/605967647.db2.gz XJDOZINOTCGIGQ-MNOVXSKESA-N -1 0 301.343 -0.175 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)CN(C(=O)[O-])C3CC3)C2=O)cn1 ZINC000833949393 605967838 /nfs/dbraw/zinc/96/78/38/605967838.db2.gz IJLWCRAITNUNFU-LLVKDONJSA-N -1 0 321.337 -0.216 20 0 DBADRM NC(=O)C[C@@H](NC(=O)CN(C(=O)[O-])C1CC1)C1CCOCC1 ZINC000833980164 605970499 /nfs/dbraw/zinc/97/04/99/605970499.db2.gz KCVMLVREBLCOII-LLVKDONJSA-N -1 0 313.354 -0.084 20 0 DBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000833982200 605980312 /nfs/dbraw/zinc/98/03/12/605980312.db2.gz ZQFDIMUQHKJMSO-RYUDHWBXSA-N -1 0 320.349 -0.016 20 0 DBADRM O=C([O-])NCC(=O)NCC(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000834192476 605980763 /nfs/dbraw/zinc/98/07/63/605980763.db2.gz HMLDOTVRIULZMG-LBPRGKRZSA-N -1 0 320.349 -0.144 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)N[C@@H](CO)C2CCOCC2)C1 ZINC000834086491 605981424 /nfs/dbraw/zinc/98/14/24/605981424.db2.gz UXBZMVCDBQHTMZ-GWCFXTLKSA-N -1 0 304.318 -0.018 20 0 DBADRM O=C([O-])N1CC[C@@](F)(C(=O)N[C@H](CO)C2CCOCC2)C1 ZINC000834086496 605981640 /nfs/dbraw/zinc/98/16/40/605981640.db2.gz UXBZMVCDBQHTMZ-MFKMUULPSA-N -1 0 304.318 -0.018 20 0 DBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000834019016 605988159 /nfs/dbraw/zinc/98/81/59/605988159.db2.gz OGDOZSSEICIHJN-WOPDTQHZSA-N -1 0 320.349 -0.110 20 0 DBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CCC(CCCO)CC1 ZINC000833978989 605988810 /nfs/dbraw/zinc/98/88/10/605988810.db2.gz AVAKNLNNNQPITO-SNVBAGLBSA-N -1 0 301.343 -0.491 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCN(c3cnccn3)CC2)C1 ZINC000834157308 605993562 /nfs/dbraw/zinc/99/35/62/605993562.db2.gz GEILRKBGCLKCGU-LLVKDONJSA-N -1 0 320.353 -0.575 20 0 DBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCn3c(nnc3C3CC3)C2)C1 ZINC000834160222 605995286 /nfs/dbraw/zinc/99/52/86/605995286.db2.gz SWKYBOJCHWSZHT-JTQLQIEISA-N -1 0 320.353 -0.203 20 0 DBADRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCCNS(C)(=O)=O ZINC000833824880 606006765 /nfs/dbraw/zinc/00/67/65/606006765.db2.gz JQJLJGRDTWZHRS-SKDRFNHKSA-N -1 0 321.399 -0.132 20 0 DBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CN2CC(=O)N(C)C2=O)CCO1 ZINC000833819615 606009656 /nfs/dbraw/zinc/00/96/56/606009656.db2.gz OHGVGVALFMOAMV-RKDXNWHRSA-N -1 0 300.315 -0.805 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)O[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000834279590 606013641 /nfs/dbraw/zinc/01/36/41/606013641.db2.gz UXUAKZAZGNSJHU-ZCFIWIBFSA-N -1 0 301.280 -0.090 20 0 DBADRM O=C([O-])N(CCNC(=O)NCC(=O)N1CCOCC1)C1CC1 ZINC000834041011 606016422 /nfs/dbraw/zinc/01/64/22/606016422.db2.gz HZAGUGWYNHBNLR-UHFFFAOYSA-N -1 0 314.342 -0.713 20 0 DBADRM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCCCS(N)(=O)=O ZINC000833827154 606018196 /nfs/dbraw/zinc/01/81/96/606018196.db2.gz VWRBQLFJSABLJV-JOYOIKCWSA-N -1 0 321.399 -0.002 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NCC(=O)N2CCOCC2)C1 ZINC000834168594 606023805 /nfs/dbraw/zinc/02/38/05/606023805.db2.gz OZZASEKXKCQPQY-MNOVXSKESA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])N1CCCC[C@H]1CNC(=O)NC[C@]1(O)CCOC1 ZINC000834028573 606025514 /nfs/dbraw/zinc/02/55/14/606025514.db2.gz ZYKPIQZSNGZDBK-GXFFZTMASA-N -1 0 301.343 -0.031 20 0 DBADRM O=C([O-])N1CCCC[C@@H]1CNC(=O)NC[C@]1(O)CCOC1 ZINC000834028580 606025559 /nfs/dbraw/zinc/02/55/59/606025559.db2.gz ZYKPIQZSNGZDBK-ZWNOBZJWSA-N -1 0 301.343 -0.031 20 0 DBADRM O=C([O-])N1CCC[C@H](CNC(=O)NC[C@]2(O)CCOC2)C1 ZINC000834026517 606025582 /nfs/dbraw/zinc/02/55/82/606025582.db2.gz JQBCSIKHVBFPAO-ZWNOBZJWSA-N -1 0 301.343 -0.173 20 0 DBADRM O=C([O-])N1CCCC[C@H](NC(=O)NC[C@@]2(O)CCOC2)C1 ZINC000834023387 606026980 /nfs/dbraw/zinc/02/69/80/606026980.db2.gz ZBEQURJBUFYAMA-GWCFXTLKSA-N -1 0 301.343 -0.031 20 0 DBADRM O=C([O-])N1CC[C@@H](CCNC(=O)NC[C@]2(O)CCOC2)C1 ZINC000834036823 606027111 /nfs/dbraw/zinc/02/71/11/606027111.db2.gz FPYIYTLCYWXFDU-ZWNOBZJWSA-N -1 0 301.343 -0.173 20 0 DBADRM CCS(=O)(=O)CCNC(=O)[C@@H](CC(F)F)NC(=O)[O-] ZINC000833863793 606033742 /nfs/dbraw/zinc/03/37/42/606033742.db2.gz QRTHJHZWHGBJNO-ZCFIWIBFSA-N -1 0 302.299 -0.171 20 0 DBADRM NC(=O)C1(NC(=O)c2cnc(NC(=O)[O-])cn2)CCOCC1 ZINC000833981335 606036436 /nfs/dbraw/zinc/03/64/36/606036436.db2.gz PYFACIXBLJSFGA-UHFFFAOYSA-N -1 0 309.282 -0.669 20 0 DBADRM O=C([O-])N[C@H](CC(F)F)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000834129645 606045599 /nfs/dbraw/zinc/04/55/99/606045599.db2.gz BPLJVCVSEFHEKB-NKWVEPMBSA-N -1 0 314.310 -0.029 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)N[C@H]2CCc3ncnn3C2)cn1 ZINC000834279076 606058161 /nfs/dbraw/zinc/05/81/61/606058161.db2.gz HVYFIMMCWLHFFU-ZETCQYMHSA-N -1 0 303.282 -0.097 20 0 DBADRM Cc1cnc(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)o1 ZINC000822395281 606061653 /nfs/dbraw/zinc/06/16/53/606061653.db2.gz ZVEZPQTVMKSMRK-UHFFFAOYSA-N -1 0 318.297 -0.827 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)c2cnc(NC(=O)[O-])cn2)CCO1 ZINC000833875555 606064309 /nfs/dbraw/zinc/06/43/09/606064309.db2.gz WAJKPTGAJXAQBT-MRVPVSSYSA-N -1 0 309.282 -0.847 20 0 DBADRM O=C([O-])Nc1cnc(C(=O)NCC(=O)N2CCOCC2)cn1 ZINC000834279434 606065655 /nfs/dbraw/zinc/06/56/55/606065655.db2.gz JSZBABZJJGMBIC-UHFFFAOYSA-N -1 0 309.282 -0.845 20 0 DBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)CNC(=O)[O-])C1=O ZINC000833955558 606065935 /nfs/dbraw/zinc/06/59/35/606065935.db2.gz JYZQARZDLGWOFI-SECBINFHSA-N -1 0 309.326 -0.705 20 0 DBADRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCC(=O)NCCO ZINC000833828365 606071037 /nfs/dbraw/zinc/07/10/37/606071037.db2.gz ZZLKIXLYSJHDRS-ZANVPECISA-N -1 0 301.343 -0.572 20 0 DBADRM O=C([O-])N1CC[C@@H](CNC(=S)NCCN2CCOCC2)C1 ZINC000834077283 606078575 /nfs/dbraw/zinc/07/85/75/606078575.db2.gz FDDLLDWLWRXSHD-NSHDSACASA-N -1 0 316.427 -0.217 20 0 DBADRM Cc1nnc2n1C[C@@H](NC(=O)CCOC1CN(C(=O)[O-])C1)CC2 ZINC000833927588 606083739 /nfs/dbraw/zinc/08/37/39/606083739.db2.gz MTLUGAUKYBVQEN-JTQLQIEISA-N -1 0 323.353 -0.214 20 0 DBADRM O=C([O-])N1CSC[C@H]1C(=O)NCC1CCS(=O)(=O)CC1 ZINC000834030655 606087031 /nfs/dbraw/zinc/08/70/31/606087031.db2.gz IMTHTXTUZNCNFH-VIFPVBQESA-N -1 0 322.408 -0.020 20 0 DBADRM NC(=O)[C@H]1CCC[C@H](NC(=O)CCOC2CN(C(=O)[O-])C2)C1 ZINC000833979965 606090643 /nfs/dbraw/zinc/09/06/43/606090643.db2.gz GPXHNFSGVNQILL-UWVGGRQHSA-N -1 0 313.354 -0.084 20 0 DBADRM O=C([O-])N[C@H]1CCc2ncc(NC(=O)Cn3cnnn3)cc2C1 ZINC000834191871 606095008 /nfs/dbraw/zinc/09/50/08/606095008.db2.gz LADZNHPEHLDAEM-VIFPVBQESA-N -1 0 317.309 -0.168 20 0 DBADRM O=C(CCOC1CN(C(=O)[O-])C1)OCC(=O)N1CCCC1=O ZINC000833994431 606103561 /nfs/dbraw/zinc/10/35/61/606103561.db2.gz RVQVDHHOFKIQQP-UHFFFAOYSA-N -1 0 314.294 -0.553 20 0 DBADRM O=C(CCOC1CN(C(=O)[O-])C1)O[C@H]1CCS(=O)(=O)C1 ZINC000833993566 606111101 /nfs/dbraw/zinc/11/11/01/606111101.db2.gz FLDLWWCNPNAUAQ-QMMMGPOBSA-N -1 0 307.324 -0.514 20 0 DBADRM C[C@H]1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C(C)(C)C1 ZINC000820770149 606139789 /nfs/dbraw/zinc/13/97/89/606139789.db2.gz ZAIKCNKAFGKJSP-MRVPVSSYSA-N -1 0 319.369 -0.111 20 0 DBADRM CCC(CC)(CO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820887582 606173757 /nfs/dbraw/zinc/17/37/57/606173757.db2.gz HOOZNRPZRPZXAQ-UHFFFAOYSA-N -1 0 323.357 -0.773 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1C ZINC000820479783 606285299 /nfs/dbraw/zinc/28/52/99/606285299.db2.gz CBKQMQQEFKPLBM-UWVGGRQHSA-N -1 0 319.369 -0.278 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1ccc(-c2nn[nH]n2)nc1 ZINC000823196628 606290860 /nfs/dbraw/zinc/29/08/60/606290860.db2.gz JSFMZBBQYMJEGT-UHFFFAOYSA-N -1 0 315.297 -0.552 20 0 DBADRM C[C@@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@H]1C ZINC000820727410 606424512 /nfs/dbraw/zinc/42/45/12/606424512.db2.gz LTBHIXXYMCHAOU-SFYZADRCSA-N -1 0 305.342 -0.501 20 0 DBADRM O=C([N-]N1CC(=O)NC1=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823536070 606694655 /nfs/dbraw/zinc/69/46/55/606694655.db2.gz QIOPHKRWPFCEQN-UHFFFAOYSA-N -1 0 323.219 -0.659 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)c1 ZINC000822698998 606710206 /nfs/dbraw/zinc/71/02/06/606710206.db2.gz KVDCTVJJBUWOHQ-UHFFFAOYSA-N -1 0 309.315 -0.866 20 0 DBADRM CC[C@@H](CCO)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820902087 606722939 /nfs/dbraw/zinc/72/29/39/606722939.db2.gz HWKKATDFRRFQJV-QMMMGPOBSA-N -1 0 323.357 -0.915 20 0 DBADRM C[C@@H]1CC[C@@H](C)N1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820684362 606879311 /nfs/dbraw/zinc/87/93/11/606879311.db2.gz OLOXOHFBNWJSRD-HTQZYQBOSA-N -1 0 305.342 -0.359 20 0 DBADRM CCC[C@H](NC(=O)c1cc(-c2nn[nH]n2)cn1C)c1nnn[n-]1 ZINC000821023124 606912349 /nfs/dbraw/zinc/91/23/49/606912349.db2.gz WZWIJOFUPAECLC-QMMMGPOBSA-N -1 0 316.329 -0.011 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccc(C)nc2)c1=O ZINC000821565497 607141835 /nfs/dbraw/zinc/14/18/35/607141835.db2.gz VSDWOGFNFWFEHS-UHFFFAOYSA-N -1 0 313.321 -0.038 20 0 DBADRM COc1ccc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)cn1 ZINC000821798955 607205775 /nfs/dbraw/zinc/20/57/75/607205775.db2.gz VHHJHEHCNFOLHP-UHFFFAOYSA-N -1 0 315.297 -0.822 20 0 DBADRM COCCN(CC(C)C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821689286 607207175 /nfs/dbraw/zinc/20/71/75/607207175.db2.gz UUOBJDQWIFDJKS-UHFFFAOYSA-N -1 0 308.346 -0.411 20 0 DBADRM CCN(C[C@@H]1CCCO1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821197380 607210225 /nfs/dbraw/zinc/21/02/25/607210225.db2.gz KDAXZLAUNDSFFJ-VIFPVBQESA-N -1 0 306.330 -0.514 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc2[nH]cnc2c1 ZINC000823136111 607211851 /nfs/dbraw/zinc/21/18/51/607211851.db2.gz KMEUGNKDTWONGL-UHFFFAOYSA-N -1 0 310.281 -0.027 20 0 DBADRM CCN(Cc1ccncc1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821230350 607212484 /nfs/dbraw/zinc/21/24/84/607212484.db2.gz HTAAEMIQDNUSKQ-UHFFFAOYSA-N -1 0 313.325 -0.098 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC000820988322 607215940 /nfs/dbraw/zinc/21/59/40/607215940.db2.gz FOMRDTSGFLWAHM-DTWKUNHWSA-N -1 0 306.330 -0.516 20 0 DBADRM CCCN(CC(=O)OCC)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821088866 607216591 /nfs/dbraw/zinc/21/65/91/607216591.db2.gz YTQGEXIFRRKPCD-UHFFFAOYSA-N -1 0 322.329 -0.740 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1cccc(O)c1 ZINC000823132071 607217254 /nfs/dbraw/zinc/21/72/54/607217254.db2.gz YGKNORPVAUHMID-UHFFFAOYSA-N -1 0 300.282 -0.520 20 0 DBADRM COC1CCC(N(C)C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000821679774 607217615 /nfs/dbraw/zinc/21/76/15/607217615.db2.gz MKZXEYPSMOXCPF-UHFFFAOYSA-N -1 0 320.357 -0.126 20 0 DBADRM C[C@@H]1[C@H](C)SCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820819302 607218054 /nfs/dbraw/zinc/21/80/54/607218054.db2.gz HEMWKCCKOVANFY-SFYZADRCSA-N -1 0 308.371 -0.189 20 0 DBADRM CC1(C)[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@@H]2CCO[C@H]21 ZINC000820583385 607218749 /nfs/dbraw/zinc/21/87/49/607218749.db2.gz CTJGEANXZFUXOU-FXBDTBDDSA-N -1 0 318.341 -0.612 20 0 DBADRM CC[C@H](C)[C@@](C)(O)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820859055 607219374 /nfs/dbraw/zinc/21/93/74/607219374.db2.gz AWOUGDYTIPXLCI-UFBFGSQYSA-N -1 0 308.346 -0.629 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@H](C)S1 ZINC000820736329 607219896 /nfs/dbraw/zinc/21/98/96/607219896.db2.gz YSQFFVZJZYJWQG-OCAPTIKFSA-N -1 0 308.371 -0.189 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@H](C)S1 ZINC000820736331 607219902 /nfs/dbraw/zinc/21/99/02/607219902.db2.gz YSQFFVZJZYJWQG-YUMQZZPRSA-N -1 0 308.371 -0.189 20 0 DBADRM CC[C@@H]1CO[C@@H](C)CN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821000298 607220127 /nfs/dbraw/zinc/22/01/27/607220127.db2.gz CHUBOFZDJLHUKD-DTWKUNHWSA-N -1 0 306.330 -0.516 20 0 DBADRM CC(C)CC[C@@](C)(O)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820072261 607220503 /nfs/dbraw/zinc/22/05/03/607220503.db2.gz DBKUWWSCNLUUDW-CYBMUJFWSA-N -1 0 322.373 -0.238 20 0 DBADRM CO[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(C)(C)C ZINC000821677324 607220759 /nfs/dbraw/zinc/22/07/59/607220759.db2.gz UIFHGZDBFXKOOS-QMMMGPOBSA-N -1 0 308.346 -0.365 20 0 DBADRM COc1ncc(C)cc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821910613 607221343 /nfs/dbraw/zinc/22/13/43/607221343.db2.gz FKAUBBQWCIYIGY-UHFFFAOYSA-N -1 0 315.297 -0.191 20 0 DBADRM CO[C@@H]1C[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1(C)C ZINC000821677765 607222205 /nfs/dbraw/zinc/22/22/05/607222205.db2.gz DUOPMKAPRNUSDP-HTQZYQBOSA-N -1 0 306.330 -0.612 20 0 DBADRM CO[C@H]1C[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1(C)C ZINC000821677768 607222348 /nfs/dbraw/zinc/22/23/48/607222348.db2.gz DUOPMKAPRNUSDP-YUMQZZPRSA-N -1 0 306.330 -0.612 20 0 DBADRM Cc1ccc([C@@H](O)CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)o1 ZINC000822230477 607224497 /nfs/dbraw/zinc/22/44/97/607224497.db2.gz HSTXYKUDUPXHOB-QMMMGPOBSA-N -1 0 318.297 -0.791 20 0 DBADRM CN(C[C@H]1CCC[C@H]1O)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825909013 607862604 /nfs/dbraw/zinc/86/26/04/607862604.db2.gz PRQAJYJUDHKBOS-RKDXNWHRSA-N -1 0 306.330 -0.922 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)C(=O)[O-] ZINC000824640436 608010441 /nfs/dbraw/zinc/01/04/41/608010441.db2.gz IRSPNXJNZBCCDL-RXMQYKEDSA-N -1 0 315.286 -0.243 20 0 DBADRM O=C([O-])CNS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC000826461200 608010751 /nfs/dbraw/zinc/01/07/51/608010751.db2.gz KNHNPBFHOQRSPL-UHFFFAOYSA-N -1 0 301.259 -0.631 20 0 DBADRM C[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)c1ccc[nH]1 ZINC000824650567 608016802 /nfs/dbraw/zinc/01/68/02/608016802.db2.gz RWDPOMQUZBOIMA-SSDOTTSWSA-N -1 0 316.325 -0.235 20 0 DBADRM CN(C)c1nc(Cn2cccc(-c3nnn[n-]3)c2=O)ns1 ZINC000825883164 608024334 /nfs/dbraw/zinc/02/43/34/608024334.db2.gz CIEVGYUTFDROJM-UHFFFAOYSA-N -1 0 304.339 -0.006 20 0 DBADRM CCOC(=O)CC[C@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825507230 608032105 /nfs/dbraw/zinc/03/21/05/608032105.db2.gz PHEJIPGUQXKHHI-QMMMGPOBSA-N -1 0 322.329 -0.694 20 0 DBADRM COc1ccnc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000826221164 608040425 /nfs/dbraw/zinc/04/04/25/608040425.db2.gz RWMQWTSHHTVPBA-UHFFFAOYSA-N -1 0 301.270 -0.500 20 0 DBADRM Cc1ncsc1CCn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC000826331358 608095795 /nfs/dbraw/zinc/09/57/95/608095795.db2.gz FAGAKOWNWAFMHR-UHFFFAOYSA-N -1 0 319.350 -0.265 20 0 DBADRM Cc1noc(CCCn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)n1 ZINC000826339435 608095852 /nfs/dbraw/zinc/09/58/52/608095852.db2.gz DMMUJPMLCFBTRK-UHFFFAOYSA-N -1 0 318.297 -0.949 20 0 DBADRM CC(C)c1nc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)no1 ZINC000824358416 608096169 /nfs/dbraw/zinc/09/61/69/608096169.db2.gz JCYDZKQYHVXNKG-UHFFFAOYSA-N -1 0 318.297 -0.718 20 0 DBADRM O=C(Cc1[nH]c(O)nc1O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826421363 608109786 /nfs/dbraw/zinc/10/97/86/608109786.db2.gz FBGWNABALJNJNX-VIFPVBQESA-N -1 0 315.293 -0.919 20 0 DBADRM CC(C)(O)[C@@H]1CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824167760 608202332 /nfs/dbraw/zinc/20/23/32/608202332.db2.gz UIIMLZNYQSDTNJ-QMMMGPOBSA-N -1 0 306.330 -0.780 20 0 DBADRM C[C@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@H]1C ZINC000824961842 608302528 /nfs/dbraw/zinc/30/25/28/608302528.db2.gz JWEONAFOQOWSRQ-DTWKUNHWSA-N -1 0 319.369 -0.254 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC[C@@H]1CCCCO1 ZINC000826425386 609267509 /nfs/dbraw/zinc/26/75/09/609267509.db2.gz AXVZQTULAPYMET-VIFPVBQESA-N -1 0 306.330 -0.466 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC[C@H]1CCCCO1 ZINC000826425385 609267531 /nfs/dbraw/zinc/26/75/31/609267531.db2.gz AXVZQTULAPYMET-SECBINFHSA-N -1 0 306.330 -0.466 20 0 DBADRM C[C@@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@H]1F ZINC000824961616 609320539 /nfs/dbraw/zinc/32/05/39/609320539.db2.gz DUFNQVDIRMHJRE-HTQZYQBOSA-N -1 0 323.332 -0.552 20 0 DBADRM CC(C)[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC000824222751 609401760 /nfs/dbraw/zinc/40/17/60/609401760.db2.gz ACYKEUVSZUMGTI-SECBINFHSA-N -1 0 306.330 -0.658 20 0 DBADRM C[C@@H]1OCC[C@]1(C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825012611 609593717 /nfs/dbraw/zinc/59/37/17/609593717.db2.gz KGIKUSUUEQQFKI-CPFSXVBKSA-N -1 0 321.341 -0.757 20 0 DBADRM CC(C)=CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000976923654 665406734 /nfs/dbraw/zinc/40/67/34/665406734.db2.gz VHLRUVMEWJPDOW-GDGBQDQQSA-N -1 0 321.337 -0.772 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1CC1 ZINC000977250518 665452276 /nfs/dbraw/zinc/45/22/76/665452276.db2.gz WQTNWQKZCDOAEE-VIFPVBQESA-N -1 0 309.326 -0.841 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1nnc[nH]1 ZINC000977357907 665462490 /nfs/dbraw/zinc/46/24/90/665462490.db2.gz UMIYRZAHUMAICO-SSDOTTSWSA-N -1 0 306.330 -0.731 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ncccn1 ZINC000977388933 665463597 /nfs/dbraw/zinc/46/35/97/665463597.db2.gz JHRPKQWOKSGSLE-VIFPVBQESA-N -1 0 317.353 -0.059 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001027524912 665471118 /nfs/dbraw/zinc/47/11/18/665471118.db2.gz SKHAVTRUYBORFH-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC000977489479 665476464 /nfs/dbraw/zinc/47/64/64/665476464.db2.gz WYVURZCMWIUSTP-IUCAKERBSA-N -1 0 322.369 -0.885 20 0 DBADRM CC1(C)CN(CCF)C[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000977513901 665478697 /nfs/dbraw/zinc/47/86/97/665478697.db2.gz NOXNLWAVNSYKEE-QMMMGPOBSA-N -1 0 301.322 -0.515 20 0 DBADRM O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)[C@H]1CCCO1 ZINC000977747790 665497877 /nfs/dbraw/zinc/49/78/77/665497877.db2.gz CEPDPCSWIQELOQ-CHWFTXMASA-N -1 0 307.354 -0.517 20 0 DBADRM CC(=O)N1CC[C@H]1CN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC000977738803 665498369 /nfs/dbraw/zinc/49/83/69/665498369.db2.gz JLICBWYGBJZSPX-JTQLQIEISA-N -1 0 303.322 -0.285 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NCC(C)(C)S(C)(=O)=O ZINC000093535188 665499093 /nfs/dbraw/zinc/49/90/93/665499093.db2.gz GUGZKDOJLGQARK-UHFFFAOYSA-N -1 0 310.372 -0.448 20 0 DBADRM CC(C)C(=O)N1CC[C@H]1CN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000978124562 665520737 /nfs/dbraw/zinc/52/07/37/665520737.db2.gz QREHZJZDKXWBBW-JTQLQIEISA-N -1 0 322.365 -0.185 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)CC1CC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978068594 665516815 /nfs/dbraw/zinc/51/68/15/665516815.db2.gz FJJLYTFZDHLEOL-VIFPVBQESA-N -1 0 321.337 -0.244 20 0 DBADRM CC(F)(F)C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001009799790 665518911 /nfs/dbraw/zinc/51/89/11/665518911.db2.gz HICCSCCTMIYALA-UHFFFAOYSA-N -1 0 319.268 -0.985 20 0 DBADRM CCCC(=O)N1CC[C@H]1CN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000978120482 665520421 /nfs/dbraw/zinc/52/04/21/665520421.db2.gz CCIMJPZQAFUTQW-JTQLQIEISA-N -1 0 322.365 -0.041 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000978150844 665521949 /nfs/dbraw/zinc/52/19/49/665521949.db2.gz FOMAIIHGANYMFI-KXUCPTDWSA-N -1 0 323.353 -0.595 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001027594974 665526849 /nfs/dbraw/zinc/52/68/49/665526849.db2.gz RNRHFLJBBZRSQJ-LLVKDONJSA-N -1 0 319.369 -0.101 20 0 DBADRM CCNS(=O)(=O)CCNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000314014008 665530040 /nfs/dbraw/zinc/53/00/40/665530040.db2.gz VRDZXXOSJODUMZ-NXEZZACHSA-N -1 0 321.399 -0.322 20 0 DBADRM CC(=O)NC[C@H]1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000978488683 665540239 /nfs/dbraw/zinc/54/02/39/665540239.db2.gz QJXONCVLPGFFSA-AOOOYVTPSA-N -1 0 303.322 -0.333 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000978553611 665543073 /nfs/dbraw/zinc/54/30/73/665543073.db2.gz CPGFQNFCWKTCNQ-PSVAKVPMSA-N -1 0 318.341 -0.955 20 0 DBADRM CCCC(=O)N1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001009893988 665573717 /nfs/dbraw/zinc/57/37/17/665573717.db2.gz XMMAXCQPQHOJLB-UHFFFAOYSA-N -1 0 323.353 -0.314 20 0 DBADRM CC(C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000979095456 665601722 /nfs/dbraw/zinc/60/17/22/665601722.db2.gz DBKLTOXDYNSOJQ-AOOOYVTPSA-N -1 0 322.365 -0.234 20 0 DBADRM CCC(=O)N[C@H]1C[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000979098468 665601726 /nfs/dbraw/zinc/60/17/26/665601726.db2.gz NFOGDFCUVKMYFD-DTORHVGOSA-N -1 0 308.338 -0.480 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001027774561 665633421 /nfs/dbraw/zinc/63/34/21/665633421.db2.gz GKGULOOMBWSUJS-VIFPVBQESA-N -1 0 305.342 -0.064 20 0 DBADRM Cn1[nH]c(CN2CCC[C@@H]2CNC(=O)c2cocn2)nc1=O ZINC001027777574 665635987 /nfs/dbraw/zinc/63/59/87/665635987.db2.gz IOCQBHDLFBNCLM-SECBINFHSA-N -1 0 306.326 -0.509 20 0 DBADRM C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027795678 665651909 /nfs/dbraw/zinc/65/19/09/665651909.db2.gz YNCQVDYBFUESKX-QWRGUYRKSA-N -1 0 308.386 -0.315 20 0 DBADRM CCC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000979554747 665668516 /nfs/dbraw/zinc/66/85/16/665668516.db2.gz YQHIVASJGARWOG-XHNCKOQMSA-N -1 0 321.337 -0.340 20 0 DBADRM CCC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000979554741 665668057 /nfs/dbraw/zinc/66/80/57/665668057.db2.gz YQHIVASJGARWOG-DJLDLDEBSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N1C[C@@H]2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000979559745 665668914 /nfs/dbraw/zinc/66/89/14/665668914.db2.gz UCQBSVNWQVNQEC-AEJSXWLSSA-N -1 0 309.326 -0.938 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1CCNC(=O)C1 ZINC001027827821 665679590 /nfs/dbraw/zinc/67/95/90/665679590.db2.gz ZTLICOHDBMIBGU-ZJUUUORDSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2Cc2cn(C)nn2)c1[O-] ZINC001027832835 665683978 /nfs/dbraw/zinc/68/39/78/665683978.db2.gz KCMWOJKCGPUFPW-LLVKDONJSA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2Cc2cnnn2C)c1[O-] ZINC001027833161 665684514 /nfs/dbraw/zinc/68/45/14/665684514.db2.gz NMANLUVEDNXZAI-JTQLQIEISA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2Cc2cnnn2C)c1[O-] ZINC001027833162 665684721 /nfs/dbraw/zinc/68/47/21/665684721.db2.gz NMANLUVEDNXZAI-SNVBAGLBSA-N -1 0 319.369 -0.053 20 0 DBADRM CNC(=O)[C@H](C)N1CCC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001027832367 665685883 /nfs/dbraw/zinc/68/58/83/665685883.db2.gz CMAFFYHBZLKJPM-UWVGGRQHSA-N -1 0 309.370 -0.248 20 0 DBADRM COc1cc(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)on1 ZINC001027838831 665689907 /nfs/dbraw/zinc/68/99/07/665689907.db2.gz XBWHQSYOAIROMT-MRVPVSSYSA-N -1 0 322.325 -0.099 20 0 DBADRM CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]12 ZINC000979874398 665694071 /nfs/dbraw/zinc/69/40/71/665694071.db2.gz XQNWBLIFQWDVSF-YUSALJHKSA-N -1 0 320.349 -0.527 20 0 DBADRM CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000979883653 665695147 /nfs/dbraw/zinc/69/51/47/665695147.db2.gz GNTGDZPIZSKMRO-LPEHRKFASA-N -1 0 309.326 -0.938 20 0 DBADRM Cc1c[nH]nc1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027876512 665719030 /nfs/dbraw/zinc/71/90/30/665719030.db2.gz OTVIXAYKUXEMHU-VIFPVBQESA-N -1 0 305.342 -0.064 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC000980387250 665756090 /nfs/dbraw/zinc/75/60/90/665756090.db2.gz SFAFEIRADQVWMX-SECBINFHSA-N -1 0 305.342 -0.410 20 0 DBADRM Cc1nccn1CC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000980408435 665761227 /nfs/dbraw/zinc/76/12/27/665761227.db2.gz JWROPVZXKAUYBG-LLVKDONJSA-N -1 0 319.369 -0.252 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC000314727526 665770061 /nfs/dbraw/zinc/77/00/61/665770061.db2.gz GCEVQIZIMQSBQM-GMTAPVOTSA-N -1 0 318.395 -0.020 20 0 DBADRM O=C([C@@H]1CCNC(=O)C1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000980964600 665814088 /nfs/dbraw/zinc/81/40/88/665814088.db2.gz VIXMFLFPVKZCCM-SNVBAGLBSA-N -1 0 322.369 -0.929 20 0 DBADRM CC[C@@H](C(N)=O)N1CCCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC000980979533 665814144 /nfs/dbraw/zinc/81/41/44/665814144.db2.gz MVQKCPZRNVZAQY-JTQLQIEISA-N -1 0 309.370 -0.164 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN(Cc3ncnn3C)CC2)c1[O-] ZINC000980982169 665815350 /nfs/dbraw/zinc/81/53/50/665815350.db2.gz ZOKWONHDDLJGOL-UHFFFAOYSA-N -1 0 319.369 -0.100 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCCN(Cc3nnn(C)n3)CC2)c1[O-] ZINC000980981983 665815413 /nfs/dbraw/zinc/81/54/13/665815413.db2.gz QRTXXNZZBQEQAF-UHFFFAOYSA-N -1 0 320.357 -0.705 20 0 DBADRM Cn1ncc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)c1N ZINC000981022453 665815757 /nfs/dbraw/zinc/81/57/57/665815757.db2.gz KVPMSKKLQGXQDT-UHFFFAOYSA-N -1 0 320.357 -0.826 20 0 DBADRM Cc1cc(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)cnn1 ZINC000981054380 665817483 /nfs/dbraw/zinc/81/74/83/665817483.db2.gz DSALVKPDUMHBAB-UHFFFAOYSA-N -1 0 317.353 -0.043 20 0 DBADRM O=C(c1ncccc1O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981026877 665817491 /nfs/dbraw/zinc/81/74/91/665817491.db2.gz OVFSTFQCSVBROT-UHFFFAOYSA-N -1 0 318.337 -0.041 20 0 DBADRM Cc1c[nH]nc1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981133314 665823241 /nfs/dbraw/zinc/82/32/41/665823241.db2.gz SVURFVKWHKXGRK-UHFFFAOYSA-N -1 0 305.342 -0.110 20 0 DBADRM CCn1nncc1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981109570 665823555 /nfs/dbraw/zinc/82/35/55/665823555.db2.gz FIMSBTGAWLRUGL-UHFFFAOYSA-N -1 0 320.357 -0.530 20 0 DBADRM Cn1ccc(CC(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000981143766 665824430 /nfs/dbraw/zinc/82/44/30/665824430.db2.gz TUDDRKGYNHAIIR-UHFFFAOYSA-N -1 0 319.369 -0.479 20 0 DBADRM O=C(CC1(O)CCC1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981127875 665824598 /nfs/dbraw/zinc/82/45/98/665824598.db2.gz QYQUBPDHJBXIAQ-UHFFFAOYSA-N -1 0 309.370 -0.150 20 0 DBADRM Cc1nn[nH]c1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001028064535 665832745 /nfs/dbraw/zinc/83/27/45/665832745.db2.gz LESWNXUOCLHGGT-MRVPVSSYSA-N -1 0 306.330 -0.669 20 0 DBADRM CN1CC[C@H](C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)C1=O ZINC001028086616 665845281 /nfs/dbraw/zinc/84/52/81/665845281.db2.gz XDWNBOKQBNBXBG-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@H]1CO[C@H](C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC000981646538 665864348 /nfs/dbraw/zinc/86/43/48/665864348.db2.gz MKQIAYOWJRWVDS-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM C[C@H]1CO[C@@H](C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC000981646537 665864471 /nfs/dbraw/zinc/86/44/71/665864471.db2.gz MKQIAYOWJRWVDS-GHMZBOCLSA-N -1 0 309.370 -0.030 20 0 DBADRM O=C([C@@H]1CCOC1)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC000981655762 665864734 /nfs/dbraw/zinc/86/47/34/665864734.db2.gz HJVDJYHECNQWNK-LLVKDONJSA-N -1 0 321.381 -0.029 20 0 DBADRM Cn1cc(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)[nH]c1=O ZINC001028115920 665868712 /nfs/dbraw/zinc/86/87/12/665868712.db2.gz XRYBBOGYXWVYEQ-MRVPVSSYSA-N -1 0 321.341 -0.656 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1n[nH]cc1F ZINC001028122799 665875891 /nfs/dbraw/zinc/87/58/91/665875891.db2.gz ZGELRGXSWOUEHK-SSDOTTSWSA-N -1 0 309.305 -0.233 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(Cc2ccon2)CC1 ZINC000949111514 665890332 /nfs/dbraw/zinc/89/03/32/665890332.db2.gz ZFSXYAMXIRGYGT-UHFFFAOYSA-N -1 0 306.282 -0.771 20 0 DBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1ccnnc1 ZINC001028161621 665892972 /nfs/dbraw/zinc/89/29/72/665892972.db2.gz RVWWJSIACASSEZ-SNVBAGLBSA-N -1 0 303.326 -0.305 20 0 DBADRM Cc1ccn(CC(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000981984788 665898474 /nfs/dbraw/zinc/89/84/74/665898474.db2.gz CISWSOHFQYPEGX-UHFFFAOYSA-N -1 0 319.369 -0.250 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1ccncn1 ZINC001028214286 665910121 /nfs/dbraw/zinc/91/01/21/665910121.db2.gz VBJWZHHFGMWAME-VIFPVBQESA-N -1 0 303.326 -0.305 20 0 DBADRM CCOC(=O)CN(C)S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000893699011 665912990 /nfs/dbraw/zinc/91/29/90/665912990.db2.gz YATNBKXWSVLJSH-MYJAWHEDSA-N -1 0 304.368 -0.112 20 0 DBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1ncccn1 ZINC001028219018 665915487 /nfs/dbraw/zinc/91/54/87/665915487.db2.gz TYINXBWRJGOUDE-VIFPVBQESA-N -1 0 303.326 -0.305 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC2(C1)CCCN(CCF)C2 ZINC000982131076 665916831 /nfs/dbraw/zinc/91/68/31/665916831.db2.gz QHGPSQVHYPFYPA-UHFFFAOYSA-N -1 0 313.333 -0.417 20 0 DBADRM CC[C@H](C)C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001010393606 665920742 /nfs/dbraw/zinc/92/07/42/665920742.db2.gz COUSHDMQNGOXDC-VIFPVBQESA-N -1 0 311.342 -0.594 20 0 DBADRM C[C@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@]1(C)CN(C(=O)CC(N)=O)C2 ZINC000982242602 665927174 /nfs/dbraw/zinc/92/71/74/665927174.db2.gz QICUYGMYLXOLRA-OKILXGFUSA-N -1 0 322.369 -0.944 20 0 DBADRM O=C(NC[C@H]1CCN(C(=O)C2CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000982329531 665960594 /nfs/dbraw/zinc/96/05/94/665960594.db2.gz WASZGQCHNMTXSV-MRVPVSSYSA-N -1 0 321.337 -0.339 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2[C@H]2CCCN(C)C2=O)c1[O-] ZINC001038164467 665962996 /nfs/dbraw/zinc/96/29/96/665962996.db2.gz JCODBBCMXRWRIM-QWRGUYRKSA-N -1 0 321.381 -0.151 20 0 DBADRM COC(=O)[C@H](C)NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000034990057 663793595 /nfs/dbraw/zinc/79/35/95/663793595.db2.gz AWCHGYJXDXIUGI-LURJTMIESA-N -1 0 303.292 -0.070 20 0 DBADRM C[C@H](NC(=O)C1=COCCO1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969237154 663808144 /nfs/dbraw/zinc/80/81/44/663808144.db2.gz PCZVTVKUHLROLM-QMMMGPOBSA-N -1 0 309.326 -0.665 20 0 DBADRM O=C(CCc1cncnc1)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC000969334079 663815831 /nfs/dbraw/zinc/81/58/31/663815831.db2.gz MKMMHMSHFPRZCK-LLVKDONJSA-N -1 0 317.353 -0.376 20 0 DBADRM C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1)c1cncnc1 ZINC001020506450 663827494 /nfs/dbraw/zinc/82/74/94/663827494.db2.gz VWAKMGPTPHKLBG-LSJOCFKGSA-N -1 0 317.353 -0.159 20 0 DBADRM C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1)c1cncnc1 ZINC001020506449 663827531 /nfs/dbraw/zinc/82/75/31/663827531.db2.gz VWAKMGPTPHKLBG-FBIMIBRVSA-N -1 0 317.353 -0.159 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(CC(=O)N(C)C)C2)c1[O-] ZINC000969500705 663838578 /nfs/dbraw/zinc/83/85/78/663838578.db2.gz VBVGKSVPMRLMGC-QMMMGPOBSA-N -1 0 309.370 -0.438 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(CC(=O)N3CCC3)C2)c1[O-] ZINC000969505766 663838844 /nfs/dbraw/zinc/83/88/44/663838844.db2.gz FQUXMIZOIFGWEN-VIFPVBQESA-N -1 0 321.381 -0.294 20 0 DBADRM CNC(=O)[C@@H](C)N1CC([C@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000969500084 663838942 /nfs/dbraw/zinc/83/89/42/663838942.db2.gz GRWJRCQDFXZULM-IONNQARKSA-N -1 0 309.370 -0.392 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(Cc3cnnn3C)C2)c1[O-] ZINC000969505895 663839039 /nfs/dbraw/zinc/83/90/39/663839039.db2.gz IQHLXWYRZUJZJU-MRVPVSSYSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN([C@@H]3CCNC3=O)C2)c1[O-] ZINC000969506188 663839060 /nfs/dbraw/zinc/83/90/60/663839060.db2.gz OLODDYTUICAADU-OIBJUYFYSA-N -1 0 307.354 -0.638 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN([C@@H]3CCN(C)C3=O)C2)c1[O-] ZINC000969500053 663839130 /nfs/dbraw/zinc/83/91/30/663839130.db2.gz GENICXZRNOVZCU-LDYMZIIASA-N -1 0 321.381 -0.295 20 0 DBADRM COc1cc(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC000969521396 663839857 /nfs/dbraw/zinc/83/98/57/663839857.db2.gz HLGDMTODPAAHLK-SSDOTTSWSA-N -1 0 322.325 -0.243 20 0 DBADRM COc1cc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC000969521397 663840036 /nfs/dbraw/zinc/84/00/36/663840036.db2.gz HLGDMTODPAAHLK-ZETCQYMHSA-N -1 0 322.325 -0.243 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)ncn1 ZINC001038169939 663841943 /nfs/dbraw/zinc/84/19/43/663841943.db2.gz QOLQQAGVWSXEJS-SECBINFHSA-N -1 0 303.326 -0.387 20 0 DBADRM C[C@@H](NC(=O)C1=CCOCC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000969547991 663843010 /nfs/dbraw/zinc/84/30/10/663843010.db2.gz GVUGJQYPLFDYDS-SECBINFHSA-N -1 0 307.354 -0.207 20 0 DBADRM O=C(c1csc(=O)[nH]1)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC000969654160 663854715 /nfs/dbraw/zinc/85/47/15/663854715.db2.gz HIWRNKPKPBKKDX-ZCFIWIBFSA-N -1 0 310.339 -0.323 20 0 DBADRM CCC(=O)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC001020635685 663880843 /nfs/dbraw/zinc/88/08/43/663880843.db2.gz CAHMONOPHFXTJQ-BDAKNGLRSA-N -1 0 323.353 -0.093 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1COc2c(cccc2OC)C1 ZINC000804675264 663904491 /nfs/dbraw/zinc/90/44/91/663904491.db2.gz PXPYJEAWBIGCJL-NSHDSACASA-N -1 0 324.333 -0.191 20 0 DBADRM CC(=O)N1CC[C@H]2CN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001020872675 663915358 /nfs/dbraw/zinc/91/53/58/663915358.db2.gz JTBRKSMIZXSGIK-GXSJLCMTSA-N -1 0 321.337 -0.705 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000804773137 663930024 /nfs/dbraw/zinc/93/00/24/663930024.db2.gz FKFNDANTGGZCSQ-NWDGAFQWSA-N -1 0 317.386 -0.704 20 0 DBADRM Cc1cnc(CN[C@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001020983252 663930939 /nfs/dbraw/zinc/93/09/39/663930939.db2.gz JPHLYFFTIJCIKW-KYZUINATSA-N -1 0 322.325 -0.577 20 0 DBADRM Cc1nscc1C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[nH]1 ZINC001038181923 663933827 /nfs/dbraw/zinc/93/38/27/663933827.db2.gz WFPBYOOTIDITGS-VIFPVBQESA-N -1 0 322.394 -0.122 20 0 DBADRM C[C@@H](NC(=O)c1c[nH]c(=O)n1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970272137 663958270 /nfs/dbraw/zinc/95/82/70/663958270.db2.gz AGPQSTXMEQIFAD-SSDOTTSWSA-N -1 0 321.341 -0.800 20 0 DBADRM Cc1ncc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC000970331890 663970271 /nfs/dbraw/zinc/97/02/71/663970271.db2.gz OYXMSEXNUZWSNV-QMMMGPOBSA-N -1 0 319.369 -0.197 20 0 DBADRM C[C@@H](NC(=O)c1ccncn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970611488 664018666 /nfs/dbraw/zinc/01/86/66/664018666.db2.gz DNEPCWAJQNDXMD-MRVPVSSYSA-N -1 0 303.326 -0.449 20 0 DBADRM C[C@H](NC(=O)c1ncccn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000970629379 664024113 /nfs/dbraw/zinc/02/41/13/664024113.db2.gz XXPYEMFBXBEKKL-QMMMGPOBSA-N -1 0 303.326 -0.449 20 0 DBADRM C[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)C1CN(CC(N)=O)C1 ZINC000970737556 664042645 /nfs/dbraw/zinc/04/26/45/664042645.db2.gz OMSAPAWOFJMMTC-ZETCQYMHSA-N -1 0 319.321 -0.536 20 0 DBADRM COC[C@H](C)CC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813949901 664061815 /nfs/dbraw/zinc/06/18/15/664061815.db2.gz FHFIFYKCEQWHSC-SNVBAGLBSA-N -1 0 321.399 -0.816 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)N[N-]C(=O)c2ccccn2)C1=O ZINC000050122102 664071958 /nfs/dbraw/zinc/07/19/58/664071958.db2.gz RGTIELKYAAHCMM-UHFFFAOYSA-N -1 0 305.294 -0.827 20 0 DBADRM O=C([O-])C12CC(C1)CN2C(=O)CN1CCCCS1(=O)=O ZINC000909947276 674586889 /nfs/dbraw/zinc/58/68/89/674586889.db2.gz MCULIKRBWOVCCT-UHFFFAOYSA-N -1 0 302.352 -0.512 20 0 DBADRM C[C@@H]1CN(C(=O)C23CC(C(=O)[O-])(C2)C3)CCN1S(C)(=O)=O ZINC000909960677 674588067 /nfs/dbraw/zinc/58/80/67/674588067.db2.gz ZKSNZEYACQZKAZ-UHEGKEBESA-N -1 0 316.379 -0.266 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000063142521 664119387 /nfs/dbraw/zinc/11/93/87/664119387.db2.gz AYUFXXABMULBBM-MRVPVSSYSA-N -1 0 301.386 -0.454 20 0 DBADRM CC1(C(=O)[O-])CN(C(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000910060170 674592375 /nfs/dbraw/zinc/59/23/75/674592375.db2.gz ORGWMVGQVZAKLE-UHFFFAOYSA-N -1 0 318.395 -0.019 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CCSC[C@H](C(=O)[O-])C2)CC1 ZINC000910146165 674594920 /nfs/dbraw/zinc/59/49/20/674594920.db2.gz YUAAGYOCSNVEJS-MRVPVSSYSA-N -1 0 307.393 -0.160 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)N2CCSC[C@H](C(=O)[O-])C2)cn1 ZINC000910148979 674594980 /nfs/dbraw/zinc/59/49/80/674594980.db2.gz ZQSUXBKPAWABMU-GHMZBOCLSA-N -1 0 313.379 -0.400 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)Cc3nnn(C)n3)C2)c1[O-] ZINC000971359340 664147207 /nfs/dbraw/zinc/14/72/07/664147207.db2.gz DYJJKIOXGLCBRZ-VIFPVBQESA-N -1 0 320.357 -0.706 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)Cc3cn(C)nn3)C2)c1[O-] ZINC000971368105 664148954 /nfs/dbraw/zinc/14/89/54/664148954.db2.gz YTXSXGXWUVJXPY-NSHDSACASA-N -1 0 319.369 -0.101 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC([C@H](F)C(=O)[O-])C1 ZINC000910130016 674593713 /nfs/dbraw/zinc/59/37/13/674593713.db2.gz BYUIFFGGBJTKFX-JTQLQIEISA-N -1 0 310.347 -0.461 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2cncnc2)C1 ZINC000971395963 664155556 /nfs/dbraw/zinc/15/55/56/664155556.db2.gz ZBYGLWSCDFRLJN-JTQLQIEISA-N -1 0 303.326 -0.353 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)c2cc(=O)n(C)o2)C1 ZINC000971413351 664162205 /nfs/dbraw/zinc/16/22/05/664162205.db2.gz FWTUJBOSCHJIHH-MRVPVSSYSA-N -1 0 322.325 -0.852 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)Cc2ccnn2C)C1 ZINC000971429037 664168265 /nfs/dbraw/zinc/16/82/65/664168265.db2.gz GNZLTQHFTVCQGQ-NSHDSACASA-N -1 0 319.369 -0.481 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1cnn(CC2CCC2)c1 ZINC000933287164 664174339 /nfs/dbraw/zinc/17/43/39/664174339.db2.gz OHTMXHLVCXNPDA-UHFFFAOYSA-N -1 0 310.354 -0.006 20 0 DBADRM CCCN(C)S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650428515 664187748 /nfs/dbraw/zinc/18/77/48/664187748.db2.gz MYVTWBCEMHSZCA-VIFPVBQESA-N -1 0 302.356 -0.352 20 0 DBADRM COC[C@@H](C)S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000650428818 664188304 /nfs/dbraw/zinc/18/83/04/664188304.db2.gz UKVICMVLNZASDD-RKDXNWHRSA-N -1 0 303.340 -0.573 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)c1[O-] ZINC001011007662 664189747 /nfs/dbraw/zinc/18/97/47/664189747.db2.gz UMKGSAGHJQHSST-UHFFFAOYSA-N -1 0 305.298 -0.860 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)cnn1 ZINC001022012214 664190468 /nfs/dbraw/zinc/19/04/68/664190468.db2.gz FWHVVMJOLFCDRD-PHIMTYICSA-N -1 0 317.353 -0.743 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC000971570087 664204819 /nfs/dbraw/zinc/20/48/19/664204819.db2.gz HTSYKRACFHWNKH-RBZYPMLTSA-N -1 0 307.354 -0.421 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC000971570086 664205141 /nfs/dbraw/zinc/20/51/41/664205141.db2.gz HTSYKRACFHWNKH-BHDSKKPTSA-N -1 0 307.354 -0.421 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000971637656 664220153 /nfs/dbraw/zinc/22/01/53/664220153.db2.gz OXYOPIQCMPWDOD-UWVGGRQHSA-N -1 0 322.369 -0.979 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CSCCS1)C(=O)[O-] ZINC000910286200 674601204 /nfs/dbraw/zinc/60/12/04/674601204.db2.gz ZHEFWWMJFBUFKG-BIIVOSGPSA-N -1 0 306.409 -0.071 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)CC1 ZINC000910146174 674595311 /nfs/dbraw/zinc/59/53/11/674595311.db2.gz YUAAGYOCSNVEJS-QMMMGPOBSA-N -1 0 307.393 -0.160 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H]1CCN(c2ccccc2F)C1 ZINC000910333920 674602454 /nfs/dbraw/zinc/60/24/54/674602454.db2.gz ILQLAVKTCOJURJ-SNVBAGLBSA-N -1 0 323.324 -0.031 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1 ZINC000924052877 664246271 /nfs/dbraw/zinc/24/62/71/664246271.db2.gz PKHGSRMGXARUBM-YAMSLAJTSA-N -1 0 315.370 -0.064 20 0 DBADRM CN(C)S(=O)(=O)c1ccccc1N1CC[C@@](O)(C(=O)[O-])C1 ZINC000910327831 674603691 /nfs/dbraw/zinc/60/36/91/674603691.db2.gz NEAFFPIDEVSAMB-ZDUSSCGKSA-N -1 0 314.363 -0.037 20 0 DBADRM O=C(N[C@H]1C[C@@H](NCc2csnn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001022369529 664268523 /nfs/dbraw/zinc/26/85/23/664268523.db2.gz IZONLAITUJAVSC-OLQVQODUSA-N -1 0 323.338 -0.815 20 0 DBADRM O=C(N[C@H]1C[C@@H](NCc2cnsn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001022370062 664268549 /nfs/dbraw/zinc/26/85/49/664268549.db2.gz UHXAVGDQAJTSMX-OLQVQODUSA-N -1 0 323.338 -0.815 20 0 DBADRM Cc1nnc(CN[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001022369263 664268738 /nfs/dbraw/zinc/26/87/38/664268738.db2.gz CTCYUVVMXDTGJW-KNVOCYPGSA-N -1 0 321.297 -0.975 20 0 DBADRM CN(CC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000910428449 674605771 /nfs/dbraw/zinc/60/57/71/674605771.db2.gz QOLDTCYUGSYVGR-LURJTMIESA-N -1 0 300.283 -0.801 20 0 DBADRM COC[C@H]1COCCN1C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000926277623 664275387 /nfs/dbraw/zinc/27/53/87/664275387.db2.gz XEHIWPLAEWBBCR-NSHDSACASA-N -1 0 314.338 -0.817 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC000910433620 674606358 /nfs/dbraw/zinc/60/63/58/674606358.db2.gz DHIPOTHUMPYSAO-LURJTMIESA-N -1 0 300.283 -0.801 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)c2ncn(C)n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947283072 664290711 /nfs/dbraw/zinc/29/07/11/664290711.db2.gz SIMDZDXROLQJHQ-IUCAKERBSA-N -1 0 320.357 -0.578 20 0 DBADRM O=C(NCCCc1nc(=O)[nH][nH]1)c1n[n-]c2ccccc2c1=O ZINC000176255702 664291105 /nfs/dbraw/zinc/29/11/05/664291105.db2.gz FMYNUTAUDOICFX-UHFFFAOYSA-N -1 0 314.305 -0.303 20 0 DBADRM CO[C@@](C)(CO)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000848265764 664295494 /nfs/dbraw/zinc/29/54/94/664295494.db2.gz SLNJBKIRFTYMTF-SNVBAGLBSA-N -1 0 300.277 -0.043 20 0 DBADRM CO[C@@H](C)CN1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000949609610 664308840 /nfs/dbraw/zinc/30/88/40/664308840.db2.gz AUKNTYDUHKPBGY-JTQLQIEISA-N -1 0 310.354 -0.721 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC000972003432 664311779 /nfs/dbraw/zinc/31/17/79/664311779.db2.gz WWIMDWOEXILAPG-LKFCYVNXSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000910332703 674602418 /nfs/dbraw/zinc/60/24/18/674602418.db2.gz RUMTYQXQMRKRGL-CYBMUJFWSA-N -1 0 319.361 -0.032 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2ccnc(N3CCOCC3)n2)C1 ZINC000910479734 674611092 /nfs/dbraw/zinc/61/10/92/674611092.db2.gz MAIYWIPORPMTDF-CQSZACIVSA-N -1 0 308.338 -0.007 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC000972131441 664337676 /nfs/dbraw/zinc/33/76/76/664337676.db2.gz ZMWLPPLXPULABI-VHSXEESVSA-N -1 0 322.369 -0.979 20 0 DBADRM Cc1ncc(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC000972170990 664344588 /nfs/dbraw/zinc/34/45/88/664344588.db2.gz DAOOOQMCWPLLMI-SNVBAGLBSA-N -1 0 319.369 -0.101 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NC/C=C\Cl)C2 ZINC000910494384 674613435 /nfs/dbraw/zinc/61/34/35/674613435.db2.gz DOKHAOBIWICPJH-VKMZCUHFSA-N -1 0 302.714 -0.585 20 0 DBADRM O=C(C(F)F)N1CC[C@]2(C1)CN(Cc1n[nH]c(=O)[n-]1)CCO2 ZINC000972204442 664350378 /nfs/dbraw/zinc/35/03/78/664350378.db2.gz QZIPXYAXPZOKIQ-GFCCVEGCSA-N -1 0 317.296 -0.421 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000910496715 674613995 /nfs/dbraw/zinc/61/39/95/674613995.db2.gz NRVCCFIMUPZNGR-LMEMUVGESA-N -1 0 322.361 -0.152 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000910494691 674614097 /nfs/dbraw/zinc/61/40/97/674614097.db2.gz KLJRHNXLVYWWPH-WOPDTQHZSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1C[C@H]3CCC[C@@H]31)C2 ZINC000910496738 674614554 /nfs/dbraw/zinc/61/45/54/674614554.db2.gz NYPNXNKQIVTHOU-KEBCXIEDSA-N -1 0 322.361 -0.149 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC/C=C\Cl)C1 ZINC000910495484 674614564 /nfs/dbraw/zinc/61/45/64/674614564.db2.gz JDVOCVFUXCLSAX-DTRQGZQOSA-N -1 0 304.730 -0.195 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000910494690 674614709 /nfs/dbraw/zinc/61/47/09/674614709.db2.gz KLJRHNXLVYWWPH-SRVKXCTJSA-N -1 0 310.350 -0.007 20 0 DBADRM CCCC(=O)N1CSC[C@H]1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000910532658 674614989 /nfs/dbraw/zinc/61/49/89/674614989.db2.gz ZABSXAXPNISSMK-TVQRCGJNSA-N -1 0 316.379 -0.264 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@]3(C2)CN(CCCO)CCO3)c1[O-] ZINC000972341394 664370353 /nfs/dbraw/zinc/37/03/53/664370353.db2.gz CCUZVJQXOAFCGC-OAHLLOKOSA-N -1 0 324.381 -0.277 20 0 DBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 ZINC000972356773 664373733 /nfs/dbraw/zinc/37/37/33/664373733.db2.gz AJPUPTUDMBFMSU-MDZLAQPJSA-N -1 0 323.397 -0.434 20 0 DBADRM Cc1ccn(CC(=O)N2CC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000972362671 664375432 /nfs/dbraw/zinc/37/54/32/664375432.db2.gz PNOPFRCNGARBGI-LLVKDONJSA-N -1 0 319.369 -0.252 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](N(C)Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC000972383792 664380028 /nfs/dbraw/zinc/38/00/28/664380028.db2.gz YNUSSOKHFNDUTE-IJLUTSLNSA-N -1 0 323.397 -0.291 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)C(=O)[O-] ZINC000158416556 664406759 /nfs/dbraw/zinc/40/67/59/664406759.db2.gz LNIANUPOWRZXPP-JOAULVNJSA-N -1 0 302.352 -0.344 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CNS(=O)(=O)CCCOC)C(=O)[O-] ZINC000262226216 664411351 /nfs/dbraw/zinc/41/13/51/664411351.db2.gz WCGMHDASXGYQNK-ONGXEEELSA-N -1 0 324.399 -0.442 20 0 DBADRM Cc1cn(C)nc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038250029 664419626 /nfs/dbraw/zinc/41/96/26/664419626.db2.gz UQIBBZSBCIYMBE-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)C2=O)cn1 ZINC000262287941 664440583 /nfs/dbraw/zinc/44/05/83/664440583.db2.gz KQQCYEYTADRNQW-OUAUKWLOSA-N -1 0 322.321 -0.726 20 0 DBADRM CS(=O)(=O)N1CCC(CNC(=O)C2(C(=O)[O-])CC2)CC1 ZINC000262328294 664449660 /nfs/dbraw/zinc/44/96/60/664449660.db2.gz UPUXNCIBVDSCPG-UHFFFAOYSA-N -1 0 304.368 -0.361 20 0 DBADRM C[C@H]1Oc2c(cccc2C(=O)NC[C@@](C)(O)C(=O)[O-])NC1=O ZINC000262331072 664450346 /nfs/dbraw/zinc/45/03/46/664450346.db2.gz AXVUQBMMIVMLBO-NXSYQRQQSA-N -1 0 308.290 -0.029 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC000972535121 664476647 /nfs/dbraw/zinc/47/66/47/664476647.db2.gz XNDDCOZLIRETHU-ZJUUUORDSA-N -1 0 322.369 -0.788 20 0 DBADRM O=C(NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccn[nH]1 ZINC001023245302 664477071 /nfs/dbraw/zinc/47/70/71/664477071.db2.gz TUGWBHOALGFBIC-VIFPVBQESA-N -1 0 305.342 -0.125 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)C[C@@H]21 ZINC000910841174 674646816 /nfs/dbraw/zinc/64/68/16/674646816.db2.gz OEHZGIOXKPRBBJ-WCABBAIRSA-N -1 0 302.352 -0.799 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000910845352 674647907 /nfs/dbraw/zinc/64/79/07/674647907.db2.gz DVPAUOLHVGADFQ-ZDCRXTMVSA-N -1 0 316.379 -0.411 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C[C@H]1CC(=O)[O-] ZINC000910867441 674649256 /nfs/dbraw/zinc/64/92/56/674649256.db2.gz XDBGRFLKVYSZQQ-GMTAPVOTSA-N -1 0 318.395 -0.020 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3CC(C)C3)C[C@H]2O)c1[O-] ZINC001023412955 664824573 /nfs/dbraw/zinc/82/45/73/664824573.db2.gz APJXJRTWEBHXRI-LTCAWXSRSA-N -1 0 322.365 -0.229 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3(C)C)C2)c1[O-] ZINC001023424498 664825652 /nfs/dbraw/zinc/82/56/52/664825652.db2.gz ALHWYZYWFWWGFR-IVZWLZJFSA-N -1 0 322.365 -0.229 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC000972620011 664846179 /nfs/dbraw/zinc/84/61/79/664846179.db2.gz VAFHDMVBJZXLEM-HZMBPMFUSA-N -1 0 309.370 -0.030 20 0 DBADRM O=C(NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccncn1 ZINC001023655017 664848437 /nfs/dbraw/zinc/84/84/37/664848437.db2.gz CBHGNBBXDIDDAU-JTQLQIEISA-N -1 0 317.353 -0.058 20 0 DBADRM O=C(CC1(C(=O)[O-])CCC1)NCCN1CCCS1(=O)=O ZINC000262532520 664854453 /nfs/dbraw/zinc/85/44/53/664854453.db2.gz PVWVNCKIAVWINY-UHFFFAOYSA-N -1 0 304.368 -0.217 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N1[C@H](C(=O)[O-])C[C@@H]2OCC[C@@H]21 ZINC000926596033 664859231 /nfs/dbraw/zinc/85/92/31/664859231.db2.gz MGPTZMDDVCQPOY-AJBSGBCOSA-N -1 0 305.352 -0.190 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccn[nH]1 ZINC000972824639 664877054 /nfs/dbraw/zinc/87/70/54/664877054.db2.gz JTKOFHBUOCAUBJ-SECBINFHSA-N -1 0 305.342 -0.126 20 0 DBADRM O=C(N[C@H]1C[C@H](NC(=O)C2CC2)C1)c1c[n-]n2c1nccc2=O ZINC000972877781 664882790 /nfs/dbraw/zinc/88/27/90/664882790.db2.gz OOQQISRJGDVHJL-MGCOHNPYSA-N -1 0 315.333 -0.190 20 0 DBADRM O=C(CC1CC1)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000972886189 664886903 /nfs/dbraw/zinc/88/69/03/664886903.db2.gz LTLFOXKRSVTEIM-ZKCHVHJHSA-N -1 0 307.310 -0.540 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000972924513 664894076 /nfs/dbraw/zinc/89/40/76/664894076.db2.gz QEAYKWPJGLPNPQ-JBDRJPRFSA-N -1 0 309.326 -0.891 20 0 DBADRM O=C(Cc1ccsc1)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024543935 664896278 /nfs/dbraw/zinc/89/62/78/664896278.db2.gz UHKILRITTWOROZ-GHMZBOCLSA-N -1 0 321.362 -0.590 20 0 DBADRM CCn1cccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024550935 664897781 /nfs/dbraw/zinc/89/77/81/664897781.db2.gz NOXBOFTYFHXPRE-ZYHUDNBSSA-N -1 0 318.337 -0.759 20 0 DBADRM CCC(C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024550921 664897803 /nfs/dbraw/zinc/89/78/03/664897803.db2.gz NDFLTISCSXLIOJ-GHMZBOCLSA-N -1 0 309.370 -0.068 20 0 DBADRM CC(C)=CC(=O)N1CC([C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006492919 664898242 /nfs/dbraw/zinc/89/82/42/664898242.db2.gz JVNHMVWDPLSJEI-QMMMGPOBSA-N -1 0 321.337 -0.174 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)CC2CC2)C1 ZINC001006493328 664899948 /nfs/dbraw/zinc/89/99/48/664899948.db2.gz LPECYMJEEHETGR-ZETCQYMHSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)c1cnon1 ZINC001024720957 664911941 /nfs/dbraw/zinc/91/19/41/664911941.db2.gz WDSRUQCLMHCMEF-QMMMGPOBSA-N -1 0 307.314 -0.322 20 0 DBADRM COc1ccc(CCC(=O)NCC(=O)NCC(=O)[O-])cc1OC ZINC000075240922 664915089 /nfs/dbraw/zinc/91/50/89/664915089.db2.gz BVMHEEZSZFCPGY-UHFFFAOYSA-N -1 0 324.333 -0.047 20 0 DBADRM Cn1[nH]c(C[NH2+]C[C@H]2CCCCN2C(=O)c2cn[nH]c2)nc1=O ZINC001024883121 664926284 /nfs/dbraw/zinc/92/62/84/664926284.db2.gz PWWYWDQZZXKJKZ-LLVKDONJSA-N -1 0 319.369 -0.384 20 0 DBADRM O=C1CCC(=O)N1CCN=c1nn[n-]n1Cc1ccccc1 ZINC000892524004 664926466 /nfs/dbraw/zinc/92/64/66/664926466.db2.gz GQWHKCSCNQFBQM-UHFFFAOYSA-N -1 0 300.322 -0.296 20 0 DBADRM Cn1[nH]c(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CCOC2)nc1=O ZINC001024897178 664927468 /nfs/dbraw/zinc/92/74/68/664927468.db2.gz XGQMECPVAXWVSX-VXGBXAGGSA-N -1 0 323.397 -0.384 20 0 DBADRM O=C(N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccoc1 ZINC000972966051 664929459 /nfs/dbraw/zinc/92/94/59/664929459.db2.gz FHJRIRJITVMQKW-ZKCHVHJHSA-N -1 0 319.277 -0.433 20 0 DBADRM CC1(CNC(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)COC1 ZINC000911005738 674667719 /nfs/dbraw/zinc/66/77/19/674667719.db2.gz AQTXJOPMGOZCHU-WDEREUQCSA-N -1 0 310.350 -0.292 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)[N-]OCCSC)C1=O ZINC000935755367 664946223 /nfs/dbraw/zinc/94/62/23/664946223.db2.gz IICJVGAAZGGAMV-SECBINFHSA-N -1 0 304.368 -0.191 20 0 DBADRM C[C@H]1[C@@H](NC(=O)c2cn[nH]n2)CCN1C(=O)c1cnsn1 ZINC001011530999 664946325 /nfs/dbraw/zinc/94/63/25/664946325.db2.gz XOLRIQVYZASRMK-BQBZGAKWSA-N -1 0 307.339 -0.311 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CC2(C)C)c1 ZINC000973034931 664949279 /nfs/dbraw/zinc/94/92/79/664949279.db2.gz VDGFUYCQXUEZOX-JTQLQIEISA-N -1 0 319.369 -0.116 20 0 DBADRM CNC(=O)[C@@H](C)N1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C(C)(C)C1 ZINC000973041759 664952570 /nfs/dbraw/zinc/95/25/70/664952570.db2.gz AFYZQALLBCTCQP-ZJUUUORDSA-N -1 0 323.397 -0.002 20 0 DBADRM CNC(=O)CN1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C(C)(C)C1 ZINC000973044463 664953552 /nfs/dbraw/zinc/95/35/52/664953552.db2.gz UNOLYMHJMQRHPE-VIFPVBQESA-N -1 0 309.370 -0.390 20 0 DBADRM COc1ccccc1OCC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000002456405 664960578 /nfs/dbraw/zinc/96/05/78/664960578.db2.gz OMUKWSBNMYKTBR-UHFFFAOYSA-N -1 0 322.317 -0.171 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)C(F)F)C1 ZINC001006494074 664963239 /nfs/dbraw/zinc/96/32/39/664963239.db2.gz NYFZTYUTKLTSJJ-BYPYZUCNSA-N -1 0 317.252 -0.875 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@@H]3C)C2)c1[O-] ZINC001025113189 664971285 /nfs/dbraw/zinc/97/12/85/664971285.db2.gz LWFMCBAMHMUNAQ-BEYHFKMWSA-N -1 0 308.338 -0.619 20 0 DBADRM O=C(N[C@@H]1CCCN(C(=O)C2=COCCO2)C1)c1cn[nH]n1 ZINC000949885999 664994648 /nfs/dbraw/zinc/99/46/48/664994648.db2.gz CPQDFKBRBDVPJR-SECBINFHSA-N -1 0 307.310 -0.586 20 0 DBADRM CC1CC(C(=O)N[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000973151950 664996465 /nfs/dbraw/zinc/99/64/65/664996465.db2.gz XZKIFKTVYOFOEN-AJKDEPMXSA-N -1 0 321.337 -0.294 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3csnn3)C2)c1[O-] ZINC000973178007 665001043 /nfs/dbraw/zinc/00/10/43/665001043.db2.gz SLQYWAYPYVCPAT-LJGSYFOKSA-N -1 0 322.350 -0.034 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3cnn(C)n3)C2)c1[O-] ZINC000973180460 665001452 /nfs/dbraw/zinc/00/14/52/665001452.db2.gz LOIKCOPXSAOBBA-ZKCHVHJHSA-N -1 0 319.325 -0.757 20 0 DBADRM CC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])CCO2 ZINC001007543774 665004310 /nfs/dbraw/zinc/00/43/10/665004310.db2.gz MAYYRLWLGVVANY-AWEZNQCLSA-N -1 0 308.338 -0.113 20 0 DBADRM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1)c1ccnn1C ZINC000973326213 665024253 /nfs/dbraw/zinc/02/42/53/665024253.db2.gz VKWMCRHSGGRTSQ-OPRDCNLKSA-N -1 0 317.353 -0.281 20 0 DBADRM CC1(C(=O)N[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CCC1 ZINC000973476480 665039975 /nfs/dbraw/zinc/03/99/75/665039975.db2.gz CJGRDNYCOGRYND-ZKCHVHJHSA-N -1 0 321.337 -0.150 20 0 DBADRM CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000973556923 665051456 /nfs/dbraw/zinc/05/14/56/665051456.db2.gz USVWTDBZDJXDLV-CBLAIPOGSA-N -1 0 307.310 -0.446 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)[C@H]2CC23CC3)C1)c1n[nH]c(=O)[n-]c1=O ZINC000936262872 665057020 /nfs/dbraw/zinc/05/70/20/665057020.db2.gz FRKDGAIRCJBKMS-HTQZYQBOSA-N -1 0 319.321 -0.586 20 0 DBADRM COC(=O)NCCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000308160175 665057731 /nfs/dbraw/zinc/05/77/31/665057731.db2.gz YFIWYMHALBQGLS-UHFFFAOYSA-N -1 0 303.315 -0.477 20 0 DBADRM CCc1ccc(CC(=O)[N-]S(=O)(=O)N2CCOCC2)nc1 ZINC000892745036 665061525 /nfs/dbraw/zinc/06/15/25/665061525.db2.gz RAKLSUTVKYNUAB-UHFFFAOYSA-N -1 0 313.379 -0.120 20 0 DBADRM CCC(=O)N1CC[C@@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000936290715 665061998 /nfs/dbraw/zinc/06/19/98/665061998.db2.gz KTHDSICIYKSEHK-SECBINFHSA-N -1 0 308.338 -0.431 20 0 DBADRM CO[C@@]1(C(=O)[N-]S(=O)(=O)c2cnccn2)CCSC1 ZINC000892848155 665070206 /nfs/dbraw/zinc/07/02/06/665070206.db2.gz XNSFFNUYFVMNNK-JTQLQIEISA-N -1 0 303.365 -0.196 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(C(=O)C2CCC2)C1 ZINC000936329921 665071645 /nfs/dbraw/zinc/07/16/45/665071645.db2.gz JFJHFSFOYFJZQD-SNVBAGLBSA-N -1 0 323.353 -0.451 20 0 DBADRM CC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973737126 665074242 /nfs/dbraw/zinc/07/42/42/665074242.db2.gz HKVSVTSBTVJYDJ-QWRGUYRKSA-N -1 0 323.353 -0.451 20 0 DBADRM CC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973744122 665076564 /nfs/dbraw/zinc/07/65/64/665076564.db2.gz VAJRJSZRWVHWPS-NXEZZACHSA-N -1 0 321.337 -0.244 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CO1 ZINC001025823790 665091234 /nfs/dbraw/zinc/09/12/34/665091234.db2.gz CWPLVBBUGCIEPW-ULHKAFAUSA-N -1 0 307.354 -0.518 20 0 DBADRM CCC(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C12CCC2 ZINC001025829306 665092387 /nfs/dbraw/zinc/09/23/87/665092387.db2.gz KHRATFDJQCNPRZ-DTWKUNHWSA-N -1 0 323.353 -0.357 20 0 DBADRM CCC(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C12CCC2 ZINC001025829307 665092459 /nfs/dbraw/zinc/09/24/59/665092459.db2.gz KHRATFDJQCNPRZ-IUCAKERBSA-N -1 0 323.353 -0.357 20 0 DBADRM CCC(=O)N[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1(C)C ZINC001007738883 665092926 /nfs/dbraw/zinc/09/29/26/665092926.db2.gz INTAGPZFIJUKOT-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM CCC(=O)N[C@H]1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000973759770 665094925 /nfs/dbraw/zinc/09/49/25/665094925.db2.gz ZLTLNIKXOHUVFU-DTORHVGOSA-N -1 0 303.322 -0.190 20 0 DBADRM C[C@H]1OCC[C@]1(C)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001025925233 665112792 /nfs/dbraw/zinc/11/27/92/665112792.db2.gz XHYMNMGTRMDWKE-HGBDMZGYSA-N -1 0 321.381 -0.128 20 0 DBADRM CC(F)(F)C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973794405 665115998 /nfs/dbraw/zinc/11/59/98/665115998.db2.gz UPNGHHNDPNCPCK-SYDPRGILSA-N -1 0 317.252 -0.685 20 0 DBADRM C[C@H]1CO[C@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000893080609 665118146 /nfs/dbraw/zinc/11/81/46/665118146.db2.gz NSFBOZAISDOVJI-BDAKNGLRSA-N -1 0 315.351 -0.105 20 0 DBADRM O=C(N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccc[nH]1 ZINC000973870833 665136113 /nfs/dbraw/zinc/13/61/13/665136113.db2.gz BPLKGRVWQCRHQA-KNVOCYPGSA-N -1 0 318.293 -0.698 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3COCCO3)C2)c1[O-] ZINC000973896407 665139246 /nfs/dbraw/zinc/13/92/46/665139246.db2.gz CVWWMHLVEQWBCZ-AEJSXWLSSA-N -1 0 324.337 -0.784 20 0 DBADRM CCN(C(=O)c1cc(OC)no1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949919139 665140798 /nfs/dbraw/zinc/14/07/98/665140798.db2.gz PCYRWOGVMXPESQ-UHFFFAOYSA-N -1 0 322.325 -0.147 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3cc[nH]n3)C2)c1[O-] ZINC000973980447 665152681 /nfs/dbraw/zinc/15/26/81/665152681.db2.gz AFZSBLDLOZPNMC-AOOOYVTPSA-N -1 0 318.337 -0.233 20 0 DBADRM O=C([O-])c1ccc(N2CCN(C(=O)[C@@H]3COCCO3)CC2)nc1 ZINC000911171843 674687856 /nfs/dbraw/zinc/68/78/56/674687856.db2.gz AOAHVCHBQCYLSA-LBPRGKRZSA-N -1 0 321.333 -0.156 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cncn3)C2)c1[O-] ZINC000974032683 665158451 /nfs/dbraw/zinc/15/84/51/665158451.db2.gz LGCOHVYWBUQJIW-DTORHVGOSA-N -1 0 319.325 -0.908 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnccn1 ZINC001006614516 665161278 /nfs/dbraw/zinc/16/12/78/665161278.db2.gz LRWBIMHHTSFECJ-VIFPVBQESA-N -1 0 303.326 -0.305 20 0 DBADRM CNC(=O)N[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000057124777 665167884 /nfs/dbraw/zinc/16/78/84/665167884.db2.gz NMHXDRVGYWOTRR-UHFFFAOYSA-N -1 0 312.307 -0.965 20 0 DBADRM CCN(C(=O)C1=CCOCC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949940724 665189918 /nfs/dbraw/zinc/18/99/18/665189918.db2.gz PGCRULBJEZILKI-UHFFFAOYSA-N -1 0 307.354 -0.110 20 0 DBADRM CCC(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C(C)(C)C1 ZINC001008370544 665195813 /nfs/dbraw/zinc/19/58/13/665195813.db2.gz JPTKHAXIZHHWBP-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM CCCC(=O)N1CC[C@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000936411816 665197347 /nfs/dbraw/zinc/19/73/47/665197347.db2.gz SDMDCELEPPFABD-QMMMGPOBSA-N -1 0 309.326 -0.244 20 0 DBADRM CC1(C)CN(C(=O)C2CC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001008393788 665200150 /nfs/dbraw/zinc/20/01/50/665200150.db2.gz HUGQXQZSGPCWGC-SECBINFHSA-N -1 0 323.353 -0.548 20 0 DBADRM CCC(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C(C)(C)C1 ZINC001008407481 665201996 /nfs/dbraw/zinc/20/19/96/665201996.db2.gz NLVLHLHKBUZECK-SNVBAGLBSA-N -1 0 322.365 -0.137 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc[n+]([O-])cc1 ZINC001006662773 665210852 /nfs/dbraw/zinc/21/08/52/665210852.db2.gz YAMOGLCEOSGWPL-LLVKDONJSA-N -1 0 318.337 -0.462 20 0 DBADRM O=C(NC[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000974416151 665217323 /nfs/dbraw/zinc/21/73/23/665217323.db2.gz MOXMSBSSLFFHBO-MRVPVSSYSA-N -1 0 321.337 -0.339 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ncc[nH]1 ZINC000974564829 665233066 /nfs/dbraw/zinc/23/30/66/665233066.db2.gz HLCSVWCZTLWUCA-MRVPVSSYSA-N -1 0 305.342 -0.126 20 0 DBADRM CCC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974636127 665236811 /nfs/dbraw/zinc/23/68/11/665236811.db2.gz MVXCZBCTJRTBCS-HTQZYQBOSA-N -1 0 307.310 -0.634 20 0 DBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cn[nH]n1 ZINC000974784714 665247787 /nfs/dbraw/zinc/24/77/87/665247787.db2.gz NKJHZNFMVHCFRM-QMMMGPOBSA-N -1 0 306.330 -0.731 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000866894110 665254123 /nfs/dbraw/zinc/25/41/23/665254123.db2.gz WOYUDKIWCXDIQF-INQHHXQFSA-N -1 0 323.440 -0.052 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC000974907983 665259080 /nfs/dbraw/zinc/25/90/80/665259080.db2.gz ZZDJTXHFYBAKAX-MRVPVSSYSA-N -1 0 320.357 -0.423 20 0 DBADRM CC(C)(CO)O[N-]C(=O)CNS(=O)(=O)c1cccs1 ZINC000857285218 665259974 /nfs/dbraw/zinc/25/99/74/665259974.db2.gz UKFGCZASQOBZQX-UHFFFAOYSA-N -1 0 308.381 -0.155 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN(C(=O)CC(N)=O)C2)c1[O-] ZINC000975217476 665271994 /nfs/dbraw/zinc/27/19/94/665271994.db2.gz HMINWDRDWMTORD-SECBINFHSA-N -1 0 323.353 -0.732 20 0 DBADRM CC(C)OCCOC[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000911263828 674700188 /nfs/dbraw/zinc/70/01/88/674700188.db2.gz WNPXZORQHJNCCM-UTUOFQBUSA-N -1 0 303.355 -0.032 20 0 DBADRM CCOC(=O)CCN(C)S(=O)(=O)[N-]C(=O)c1ccn(C)c1 ZINC000893424422 665315108 /nfs/dbraw/zinc/31/51/08/665315108.db2.gz XXDFVIHZIJMUJE-UHFFFAOYSA-N -1 0 317.367 -0.115 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC001027283380 665315743 /nfs/dbraw/zinc/31/57/43/665315743.db2.gz KHUYYZIURLFCTM-SNVBAGLBSA-N -1 0 323.353 -0.179 20 0 DBADRM CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000976000357 665316115 /nfs/dbraw/zinc/31/61/15/665316115.db2.gz FMKBWCYCWHMUIE-JDICNCQASA-N -1 0 321.337 -0.802 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CC1 ZINC000976131902 665328013 /nfs/dbraw/zinc/32/80/13/665328013.db2.gz IUMZVZPJXNWCRX-NXEZZACHSA-N -1 0 323.353 -0.357 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCOC2)c1[O-] ZINC000976251974 665341009 /nfs/dbraw/zinc/34/10/09/665341009.db2.gz PRLALXDNNMKOCS-ZNSHCXBVSA-N -1 0 320.349 -0.353 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cn[nH]c4)C[C@H]32)c1[O-] ZINC000976364078 665352822 /nfs/dbraw/zinc/35/28/22/665352822.db2.gz OZKZIJAICONTOG-MYJAWHEDSA-N -1 0 316.321 -0.353 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ncc[nH]4)C[C@H]32)c1[O-] ZINC000976360771 665353793 /nfs/dbraw/zinc/35/37/93/665353793.db2.gz FBOZXSGCEFGXEM-BRPSZJMVSA-N -1 0 316.321 -0.353 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cnco4)C[C@H]32)c1[O-] ZINC000976375500 665354549 /nfs/dbraw/zinc/35/45/49/665354549.db2.gz LNSVKTIYBWPACR-MBTKJCJQSA-N -1 0 317.305 -0.088 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N[C@@]1(C(=O)[O-])CCSC1)CC2 ZINC000909357592 665357259 /nfs/dbraw/zinc/35/72/59/665357259.db2.gz NTQZPOGFEVRUMK-SDBXPKJASA-N -1 0 310.379 -0.004 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)c2cnnn2C)C1 ZINC001027391107 665374269 /nfs/dbraw/zinc/37/42/69/665374269.db2.gz AFKBHWDRMKGALA-VIFPVBQESA-N -1 0 320.357 -0.625 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)c2cnnn2C)C1 ZINC001027391106 665374775 /nfs/dbraw/zinc/37/47/75/665374775.db2.gz AFKBHWDRMKGALA-SECBINFHSA-N -1 0 320.357 -0.625 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)c2ncn(C)n2)C1 ZINC001027401970 665379394 /nfs/dbraw/zinc/37/93/94/665379394.db2.gz QMSKZHPUEXQIBY-VIFPVBQESA-N -1 0 320.357 -0.625 20 0 DBADRM CC(C)=CC(=O)N1CC[C@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000936490846 665389742 /nfs/dbraw/zinc/38/97/42/665389742.db2.gz OKXXVVBGGOZDAD-JTQLQIEISA-N -1 0 323.353 -0.285 20 0 DBADRM COc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]n2)on1 ZINC000976798343 665392030 /nfs/dbraw/zinc/39/20/30/665392030.db2.gz FCZNHUPFDZOMDS-IIDWOEFGSA-N -1 0 318.293 -0.698 20 0 DBADRM Cc1nc(C)c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]n2)o1 ZINC000976798333 665392051 /nfs/dbraw/zinc/39/20/51/665392051.db2.gz DRWQURXDKXINMF-JZYVYDRUSA-N -1 0 316.321 -0.090 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCOC3)C[C@H]21)c1cn[nH]n1 ZINC000976798353 665392100 /nfs/dbraw/zinc/39/21/00/665392100.db2.gz FIECEAHSIDRSFE-UXCLJVHYSA-N -1 0 305.338 -0.582 20 0 DBADRM Cc1nnsc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000976798325 665392417 /nfs/dbraw/zinc/39/24/17/665392417.db2.gz DFGDWRRVVGVDSN-QMSLJYSESA-N -1 0 319.350 -0.535 20 0 DBADRM CCc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]n2)no1 ZINC000976810314 665395344 /nfs/dbraw/zinc/39/53/44/665395344.db2.gz JSLADMXVHQLOQD-GDGBQDQQSA-N -1 0 316.321 -0.145 20 0 DBADRM O=C(CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000976889875 665403242 /nfs/dbraw/zinc/40/32/42/665403242.db2.gz RSUWEMKEFISUMD-MBTKJCJQSA-N -1 0 319.321 -0.731 20 0 DBADRM CC(C)CN1C[C@H](C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])CC1=O ZINC000911641307 674742644 /nfs/dbraw/zinc/74/26/44/674742644.db2.gz AQQDUMDWPIQFJV-NQBHXWOUSA-N -1 0 312.366 -0.073 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)[C@@](C)(CO)C1 ZINC000911793461 674747662 /nfs/dbraw/zinc/74/76/62/674747662.db2.gz VVHLLLTYYOBSQC-MMROJZCPSA-N -1 0 301.339 -0.137 20 0 DBADRM CCCN(C(=O)CN(C)S(=O)(=O)N(C)C)[C@@H](C)C(=O)[O-] ZINC000911706996 674745800 /nfs/dbraw/zinc/74/58/00/674745800.db2.gz IQFBCCQRCYWETB-VIFPVBQESA-N -1 0 309.388 -0.564 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)CC3CC3)C[C@H]2O)c1[O-] ZINC000991389262 674777608 /nfs/dbraw/zinc/77/76/08/674777608.db2.gz MFNPIRNBWCBXHL-GHMZBOCLSA-N -1 0 322.365 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C(F)F)C[C@H]2O)c1[O-] ZINC000991391453 674780057 /nfs/dbraw/zinc/78/00/57/674780057.db2.gz PESFHYFOEOKYGB-RNFRBKRXSA-N -1 0 318.280 -0.620 20 0 DBADRM C[C@@]1(C(=O)[N-]OCCN2CCCC2=O)CCCS1(=O)=O ZINC000912629515 674781130 /nfs/dbraw/zinc/78/11/30/674781130.db2.gz UPHJNGMRMLEXHB-LBPRGKRZSA-N -1 0 304.368 -0.376 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000991411724 674786990 /nfs/dbraw/zinc/78/69/90/674786990.db2.gz QZOUANZSBQPUJP-JGVFFNPUSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1CC[C@@H](C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000991411468 674787355 /nfs/dbraw/zinc/78/73/55/674787355.db2.gz QEPBNJGYRZJMTR-RKDXNWHRSA-N -1 0 323.353 -0.548 20 0 DBADRM CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC000913532028 674802171 /nfs/dbraw/zinc/80/21/71/674802171.db2.gz HPOQTMMSBFANTN-BETUJISGSA-N -1 0 313.365 -0.007 20 0 DBADRM CN1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@H]1CO ZINC000913545148 674803300 /nfs/dbraw/zinc/80/33/00/674803300.db2.gz VSCYOYFJYUPOFN-QMMMGPOBSA-N -1 0 311.304 -0.422 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NCC1(CC(=O)[O-])CCC1 ZINC000164958761 674811882 /nfs/dbraw/zinc/81/18/82/674811882.db2.gz VJUQLDYJNSVWHS-UHFFFAOYSA-N -1 0 313.397 -0.405 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC000991562683 674817907 /nfs/dbraw/zinc/81/79/07/674817907.db2.gz ZYOYHMQLYVSBPY-XLFQXWAYSA-N -1 0 320.349 -0.160 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]NC(=O)c2ccccc2)nn1 ZINC000056970779 674821706 /nfs/dbraw/zinc/82/17/06/674821706.db2.gz VCTUZEQRKBCBHQ-UHFFFAOYSA-N -1 0 316.321 -0.559 20 0 DBADRM O=C(NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1)[C@@H]1CCOC1 ZINC001030144723 674831425 /nfs/dbraw/zinc/83/14/25/674831425.db2.gz FGYJMAYMVCCFIO-SNVBAGLBSA-N -1 0 317.349 -0.641 20 0 DBADRM O=C(NC1CN(C(=O)C(F)F)C1)c1c[n-]n2c1nccc2=O ZINC000991657836 674859909 /nfs/dbraw/zinc/85/99/09/674859909.db2.gz BFWBAZOVOFHWSM-UHFFFAOYSA-N -1 0 311.248 -0.772 20 0 DBADRM CC(C)C(=O)N1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000991668549 674861932 /nfs/dbraw/zinc/86/19/32/674861932.db2.gz UXYPGKREBSNWNS-UHFFFAOYSA-N -1 0 303.322 -0.381 20 0 DBADRM Cc1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c(C)nn1 ZINC001030372333 674872109 /nfs/dbraw/zinc/87/21/09/674872109.db2.gz BOTOAESCYLIHMG-UHFFFAOYSA-N -1 0 303.326 -0.469 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000227213102 674879183 /nfs/dbraw/zinc/87/91/83/674879183.db2.gz JQOHINWSONWLNF-LBPRGKRZSA-N -1 0 315.351 -0.140 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn2ccncc12 ZINC001030450646 674891605 /nfs/dbraw/zinc/89/16/05/674891605.db2.gz CWVHNHPLDQEMBG-UHFFFAOYSA-N -1 0 314.309 -0.833 20 0 DBADRM CCc1nn(C)cc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030488278 674895323 /nfs/dbraw/zinc/89/53/23/674895323.db2.gz OUUVPWCOCDGIRA-UHFFFAOYSA-N -1 0 305.342 -0.580 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc2n[nH]cc2c1 ZINC001030499604 674897566 /nfs/dbraw/zinc/89/75/66/674897566.db2.gz SFZRGOIDTFVEKM-UHFFFAOYSA-N -1 0 314.309 -0.604 20 0 DBADRM NC(=O)c1cccc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001030538942 674901725 /nfs/dbraw/zinc/90/17/25/674901725.db2.gz XRRYFGFINFIXEX-UHFFFAOYSA-N -1 0 316.321 -0.777 20 0 DBADRM O=C(NC1CC(CNC(=O)C2CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000991838114 674902155 /nfs/dbraw/zinc/90/21/55/674902155.db2.gz BXWKZGWFXAHVLW-UHFFFAOYSA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCc2cncn2C1 ZINC001030554988 674904056 /nfs/dbraw/zinc/90/40/56/674904056.db2.gz RDJIJXYJBDKHIP-VIFPVBQESA-N -1 0 317.353 -0.730 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1n[nH]c2c1CCC2 ZINC001030600116 674910391 /nfs/dbraw/zinc/91/03/91/674910391.db2.gz VAVUKVUDPUSQBS-UHFFFAOYSA-N -1 0 303.326 -0.664 20 0 DBADRM Cc1nc(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)co1 ZINC001030616761 674913118 /nfs/dbraw/zinc/91/31/18/674913118.db2.gz HOOYTFLXMDPCHX-UHFFFAOYSA-N -1 0 306.282 -0.807 20 0 DBADRM CCc1nocc1CN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030616678 674913132 /nfs/dbraw/zinc/91/31/32/674913132.db2.gz FMZDWDIHPLVHFZ-UHFFFAOYSA-N -1 0 320.309 -0.553 20 0 DBADRM CC1(C)CO[C@H](CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC001030615953 674913239 /nfs/dbraw/zinc/91/32/39/674913239.db2.gz AFSRYSPQFWOVSW-VIFPVBQESA-N -1 0 323.353 -0.488 20 0 DBADRM O=C(NC1CN(CCC[C@H]2CCOC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001030617222 674913269 /nfs/dbraw/zinc/91/32/69/674913269.db2.gz ZTGGQIPDFFUKER-VIFPVBQESA-N -1 0 323.353 -0.487 20 0 DBADRM C[C@@H]1CC[C@H](CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC001030617057 674913444 /nfs/dbraw/zinc/91/34/44/674913444.db2.gz VEMPLWPWAFLEMF-VXNVDRBHSA-N -1 0 309.326 -0.736 20 0 DBADRM Cc1cnc([C@@H](C)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001030616976 674913519 /nfs/dbraw/zinc/91/35/19/674913519.db2.gz RAJBVWYSVLIUDM-SSDOTTSWSA-N -1 0 320.309 -0.246 20 0 DBADRM NC(=O)c1ccc(C(=O)[N-]NC(=O)c2ccccc2O)nc1 ZINC000063536633 674922276 /nfs/dbraw/zinc/92/22/76/674922276.db2.gz JZVKYQFATWYSCA-UHFFFAOYSA-N -1 0 300.274 -0.039 20 0 DBADRM CO[C@@H]1CC[C@@H](C(=O)N2CCN(Cc3nc(=O)n(C)[nH]3)CC2)C1 ZINC000948947615 674927722 /nfs/dbraw/zinc/92/77/22/674927722.db2.gz ARCVLCZPIDYSSO-VXGBXAGGSA-N -1 0 323.397 -0.432 20 0 DBADRM C[C@@H]1OCC[C@@]1(C)C(=O)NC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001030726869 674932729 /nfs/dbraw/zinc/93/27/29/674932729.db2.gz KSNYAYXPPTXESB-LKFCYVNXSA-N -1 0 309.370 -0.776 20 0 DBADRM C[C@H]1CC[C@H](CN2CC(NC(=O)c3cnc([O-])n(C)c3=O)C2)O1 ZINC001030780443 674951433 /nfs/dbraw/zinc/95/14/33/674951433.db2.gz YVBVLZPNOPDLSU-GXSJLCMTSA-N -1 0 322.365 -0.533 20 0 DBADRM Cc1cc(CN2CC(NC(=O)c3cnc([O-])n(C)c3=O)C2)on1 ZINC001030780486 674951496 /nfs/dbraw/zinc/95/14/96/674951496.db2.gz ZPZBEAWVPIMRDY-UHFFFAOYSA-N -1 0 319.321 -0.603 20 0 DBADRM C[C@@H](CS(=O)(=O)NCCS(=O)(=O)CC1CC1)C(=O)[O-] ZINC000827563059 674969047 /nfs/dbraw/zinc/96/90/47/674969047.db2.gz IUEISCSRAYAHNQ-QMMMGPOBSA-N -1 0 313.397 -0.549 20 0 DBADRM O=C(CC1CC1)NC1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000992253662 674978409 /nfs/dbraw/zinc/97/84/09/674978409.db2.gz USGIJICDJZSOLW-UHFFFAOYSA-N -1 0 321.337 -0.293 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCc2cccnc21 ZINC001030858729 674980496 /nfs/dbraw/zinc/98/04/96/674980496.db2.gz FJEFXVMARZRLGO-NSHDSACASA-N -1 0 314.349 -0.064 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCCc2nn[nH]c21 ZINC001030859958 674980874 /nfs/dbraw/zinc/98/08/74/674980874.db2.gz RZYIVSOPMYUFBI-MRVPVSSYSA-N -1 0 318.341 -0.951 20 0 DBADRM Cc1n[nH]cc1C(=O)NCC1CC(NC(=O)c2cn[nH]n2)C1 ZINC000992273128 674981556 /nfs/dbraw/zinc/98/15/56/674981556.db2.gz CLGPAIUZPWGZNL-UHFFFAOYSA-N -1 0 303.326 -0.225 20 0 DBADRM Cc1ncccc1CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001030951873 675009701 /nfs/dbraw/zinc/00/97/01/675009701.db2.gz JYJZMCKYHJPCQB-UHFFFAOYSA-N -1 0 302.338 -0.243 20 0 DBADRM Cn1cc(N2CC[C@H](NS(=O)(=O)CC3(F)CC3)C2=O)cn1 ZINC000914128312 675022285 /nfs/dbraw/zinc/02/22/85/675022285.db2.gz IPRWZXTXJOKGKG-JTQLQIEISA-N -1 0 316.358 -0.053 20 0 DBADRM O=S(=O)(N[C@@H](CO)c1c(F)cccc1F)[C@@H]1COC[C@H]1O ZINC000914163698 675024311 /nfs/dbraw/zinc/02/43/11/675024311.db2.gz XKHRMWWAXUJFLP-HBNTYKKESA-N -1 0 323.317 -0.323 20 0 DBADRM O=C(Cn1cc(Cl)cn1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031025924 675025226 /nfs/dbraw/zinc/02/52/26/675025226.db2.gz PQRZNELZKCIGPT-UHFFFAOYSA-N -1 0 311.733 -0.639 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000753944676 675027189 /nfs/dbraw/zinc/02/71/89/675027189.db2.gz DLZMSYITWDIUER-IONNQARKSA-N -1 0 318.301 0.000 20 0 DBADRM NC(=O)[C@H]1CCC[C@@H](C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001031039084 675028425 /nfs/dbraw/zinc/02/84/25/675028425.db2.gz WYFMHOHUEKAMTC-DTWKUNHWSA-N -1 0 322.369 -0.898 20 0 DBADRM O=S(=O)(N[C@H](CO)c1c(F)cccc1F)[C@@H]1COC[C@H]1O ZINC000914163697 675024186 /nfs/dbraw/zinc/02/41/86/675024186.db2.gz XKHRMWWAXUJFLP-GMTAPVOTSA-N -1 0 323.317 -0.323 20 0 DBADRM CC1CCN(C(=O)C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001031058357 675035054 /nfs/dbraw/zinc/03/50/54/675035054.db2.gz KYQNMBDAMPIXKM-UHFFFAOYSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C(NC1CN(Cc2ccon2)C1)c1c[n-]n2c1nccc2=O ZINC001031064686 675035812 /nfs/dbraw/zinc/03/58/12/675035812.db2.gz DVXBUCGJCBJALT-UHFFFAOYSA-N -1 0 314.305 -0.375 20 0 DBADRM COc1cc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)ccn1 ZINC000730520891 675036452 /nfs/dbraw/zinc/03/64/52/675036452.db2.gz KSFHKIIIEFACOL-UHFFFAOYSA-N -1 0 314.305 -0.209 20 0 DBADRM CCOC(=O)CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC000730532798 675037118 /nfs/dbraw/zinc/03/71/18/675037118.db2.gz BENDDBDZECUMOG-UHFFFAOYSA-N -1 0 319.321 -0.375 20 0 DBADRM C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)NC(C)(C)C ZINC000730534032 675038315 /nfs/dbraw/zinc/03/83/15/675038315.db2.gz PKIFDHOLGJEWCL-QMMMGPOBSA-N -1 0 320.353 -0.509 20 0 DBADRM CCCN(CC(=O)OC)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730535794 675038416 /nfs/dbraw/zinc/03/84/16/675038416.db2.gz JKDOBYOLWVYTSB-UHFFFAOYSA-N -1 0 307.310 -0.517 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)OC ZINC000730536723 675038637 /nfs/dbraw/zinc/03/86/37/675038637.db2.gz IHSGTJDJSJUJDB-KWQFWETISA-N -1 0 321.337 -0.225 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC1CN(CCCF)C1 ZINC001031116280 675041141 /nfs/dbraw/zinc/04/11/41/675041141.db2.gz JRYWFPANPUVZPY-UHFFFAOYSA-N -1 0 308.317 -0.769 20 0 DBADRM C[C@@H](NC(=O)COc1nsnc1N1CCOCC1)C(=O)[O-] ZINC000914685741 675052813 /nfs/dbraw/zinc/05/28/13/675052813.db2.gz PQDUZXBFSOXYFI-SSDOTTSWSA-N -1 0 316.339 -0.657 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000731855051 677345881 /nfs/dbraw/zinc/34/58/81/677345881.db2.gz ORGLOQZUHRNTSX-AXFHLTTASA-N -1 0 311.342 -0.316 20 0 DBADRM CCCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CC(=O)OC ZINC000731921189 677347663 /nfs/dbraw/zinc/34/76/63/677347663.db2.gz OMYJZVKBKQAMLT-VIFPVBQESA-N -1 0 320.367 -0.604 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2Cc2cn(C)nn2)c1[O-] ZINC001038164782 670509745 /nfs/dbraw/zinc/50/97/45/670509745.db2.gz LZARVYIDVJFXSN-JTQLQIEISA-N -1 0 305.342 -0.443 20 0 DBADRM CCCC(=O)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982358065 670521251 /nfs/dbraw/zinc/52/12/51/670521251.db2.gz GCRIUWKUOUQOFN-MRVPVSSYSA-N -1 0 309.326 -0.339 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2[C@H](C)c2nnnn2C)c1[O-] ZINC001038165265 670568423 /nfs/dbraw/zinc/56/84/23/670568423.db2.gz OZMHEASIXSUVFR-BDAKNGLRSA-N -1 0 320.357 -0.487 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982456603 670590658 /nfs/dbraw/zinc/59/06/58/670590658.db2.gz RSJRPHHJHLZVOE-QMMMGPOBSA-N -1 0 309.326 -0.483 20 0 DBADRM Cn1ccc(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001028313714 670664621 /nfs/dbraw/zinc/66/46/21/670664621.db2.gz KTFUEFDDPFNCAY-SECBINFHSA-N -1 0 305.342 -0.362 20 0 DBADRM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCNC(=O)C1 ZINC000047063259 670682092 /nfs/dbraw/zinc/68/20/92/670682092.db2.gz WMBJUTHPCUCJBC-UHFFFAOYSA-N -1 0 304.331 -0.216 20 0 DBADRM C/C=C(/C)C(=O)N1CC[C@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000937072768 670717586 /nfs/dbraw/zinc/71/75/86/670717586.db2.gz DHZWEYSZIGAJNU-OTOXVQDCSA-N -1 0 321.337 -0.078 20 0 DBADRM C/C=C(\C)C(=O)N1CC[C@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000937077138 670723126 /nfs/dbraw/zinc/72/31/26/670723126.db2.gz YRXNBEZMDVALNG-LLGDCAAFSA-N -1 0 323.353 -0.285 20 0 DBADRM Cn1cc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001028394929 670733977 /nfs/dbraw/zinc/73/39/77/670733977.db2.gz IXAGRQDMUNUHLX-SECBINFHSA-N -1 0 305.342 -0.504 20 0 DBADRM Cc1c(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001028412822 670736492 /nfs/dbraw/zinc/73/64/92/670736492.db2.gz RQEGLCOBPITMBT-JTQLQIEISA-N -1 0 319.369 -0.196 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN(Cc3nncn3C)C2)c1[O-] ZINC001028484913 670807287 /nfs/dbraw/zinc/80/72/87/670807287.db2.gz FLWNMIPHMJGOSZ-JTQLQIEISA-N -1 0 319.369 -0.196 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN(Cc3cnn(C)n3)C2)c1[O-] ZINC001028485202 670807459 /nfs/dbraw/zinc/80/74/59/670807459.db2.gz MOEWYEOEBMWZLA-SNVBAGLBSA-N -1 0 319.369 -0.196 20 0 DBADRM Cn1ncc(C(=O)NC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1N ZINC001028497034 670813668 /nfs/dbraw/zinc/81/36/68/670813668.db2.gz PEURSMNGPUPSAR-MRVPVSSYSA-N -1 0 320.357 -0.922 20 0 DBADRM Cc1cc(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cnn1 ZINC001028506528 670821647 /nfs/dbraw/zinc/82/16/47/670821647.db2.gz GHYUSTVXSZHRSM-JTQLQIEISA-N -1 0 317.353 -0.139 20 0 DBADRM Cc1cn(C)nc1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001028536360 670833959 /nfs/dbraw/zinc/83/39/59/670833959.db2.gz ATTFBTFGUBMOBN-SNVBAGLBSA-N -1 0 319.369 -0.196 20 0 DBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@]12C[C@H]1COC2 ZINC001028554302 670835132 /nfs/dbraw/zinc/83/51/32/670835132.db2.gz CZQOZGQEBDGBQU-BFVZDQMLSA-N -1 0 307.354 -0.515 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]NC(=O)C2CCCC2)cc1C(N)=O ZINC000047454502 670854150 /nfs/dbraw/zinc/85/41/50/670854150.db2.gz BGNKBYGQICYYMP-UHFFFAOYSA-N -1 0 314.367 -0.376 20 0 DBADRM CC(=O)NC[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000982769141 670861885 /nfs/dbraw/zinc/86/18/85/670861885.db2.gz IFACETDBWOGVKZ-JTQLQIEISA-N -1 0 303.322 -0.379 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1 ZINC000726317043 670870083 /nfs/dbraw/zinc/87/00/83/670870083.db2.gz AOSYEUWMPMCSRV-UHFFFAOYSA-N -1 0 311.367 -0.182 20 0 DBADRM O=C(Cc1ncc[nH]1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000982794856 670870424 /nfs/dbraw/zinc/87/04/24/670870424.db2.gz HDUSPHWQYNXHHO-UHFFFAOYSA-N -1 0 305.342 -0.490 20 0 DBADRM C[C@@H]1OCC[C@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000982826240 670883567 /nfs/dbraw/zinc/88/35/67/670883567.db2.gz MPINCDSDJPDFQW-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM C[C@]1(C(=O)N2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)CCOC1 ZINC000982872450 670892045 /nfs/dbraw/zinc/89/20/45/670892045.db2.gz VGRXFDBONXGVQS-AWEZNQCLSA-N -1 0 309.370 -0.029 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)C1 ZINC000927962528 670912801 /nfs/dbraw/zinc/91/28/01/670912801.db2.gz DPWRKICQENWGGS-YFKTTZPYSA-N -1 0 308.334 -0.373 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000983063379 670936499 /nfs/dbraw/zinc/93/64/99/670936499.db2.gz YRMRPAVDRHGDFM-GUBZILKMSA-N -1 0 323.353 -0.690 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983122441 670958871 /nfs/dbraw/zinc/95/88/71/670958871.db2.gz YZVQMCMAAMLNQN-YIZRAAEISA-N -1 0 321.337 -0.483 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CN1C(=O)C(F)F ZINC001012120644 670968302 /nfs/dbraw/zinc/96/83/02/670968302.db2.gz HAMHTDYTPJWPHD-UHNVWZDZSA-N -1 0 317.252 -0.733 20 0 DBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1csc(=O)[nH]1 ZINC001028754325 671026072 /nfs/dbraw/zinc/02/60/72/671026072.db2.gz CILKVAJFZDUVJO-ZETCQYMHSA-N -1 0 324.366 -0.076 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCC[C@H](NC(=O)C2CC2)C1 ZINC000983407893 671131131 /nfs/dbraw/zinc/13/11/31/671131131.db2.gz QXGHQMMKRDAWCW-UWVGGRQHSA-N -1 0 323.353 -0.357 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)N[C@H]1C[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC000983476631 671162696 /nfs/dbraw/zinc/16/26/96/671162696.db2.gz SENXSLFUHFNGQS-GUBZILKMSA-N -1 0 323.353 -0.552 20 0 DBADRM CCC(=O)N1CCC[C@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000983722755 671249282 /nfs/dbraw/zinc/24/92/82/671249282.db2.gz OOTJRQJELQTPHF-VIFPVBQESA-N -1 0 311.342 -0.451 20 0 DBADRM CCC(=O)N1CCC[C@@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000983722744 671249585 /nfs/dbraw/zinc/24/95/85/671249585.db2.gz OOTJRQJELQTPHF-SECBINFHSA-N -1 0 311.342 -0.451 20 0 DBADRM CC(=O)N1CCC[C@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000983732922 671253239 /nfs/dbraw/zinc/25/32/39/671253239.db2.gz SBHCUWHELGTFSG-JTQLQIEISA-N -1 0 308.338 -0.431 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000983746349 671256639 /nfs/dbraw/zinc/25/66/39/671256639.db2.gz GFADPCMMQSSUEK-SECBINFHSA-N -1 0 321.337 -0.244 20 0 DBADRM O=C([C@@H]1COCCO1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029221172 671276685 /nfs/dbraw/zinc/27/66/85/671276685.db2.gz LZCDODZHRJYECL-AXFHLTTASA-N -1 0 323.353 -0.899 20 0 DBADRM C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737724598 677361290 /nfs/dbraw/zinc/36/12/90/677361290.db2.gz RJJPFSHPIOIYEL-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM COC1(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)CCOCC1 ZINC000793189453 671278530 /nfs/dbraw/zinc/27/85/30/671278530.db2.gz GXFPRRMRTKGJMJ-JTQLQIEISA-N -1 0 307.368 -0.193 20 0 DBADRM CC[C@H](CO)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000909434962 671288523 /nfs/dbraw/zinc/28/85/23/671288523.db2.gz WQNTXSKVINOYFE-GHMZBOCLSA-N -1 0 300.355 -0.214 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)Cn1c(C)c(C)sc1=O ZINC000732522864 677364049 /nfs/dbraw/zinc/36/40/49/677364049.db2.gz GIHZMTMKIZEYPQ-UHFFFAOYSA-N -1 0 308.381 -0.381 20 0 DBADRM CC(=O)NCc1cc(=O)[nH]c(CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC000984125923 671323026 /nfs/dbraw/zinc/32/30/26/671323026.db2.gz SSUJLQXQZPBXNE-UHFFFAOYSA-N -1 0 320.309 -0.515 20 0 DBADRM CO[N-]C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727100831 671331427 /nfs/dbraw/zinc/33/14/27/671331427.db2.gz ZLQNDUMISYCOLM-UHFFFAOYSA-N -1 0 316.115 -0.430 20 0 DBADRM C[C@@H]1CS(=O)(=O)C[C@@H]1N=c1nn[n-]n1Cc1ccccc1 ZINC000895215545 671336683 /nfs/dbraw/zinc/33/66/83/671336683.db2.gz RGQCMUZVVFRXMV-PWSUYJOCSA-N -1 0 307.379 -0.012 20 0 DBADRM CC(=O)N(C)[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000984451331 671351269 /nfs/dbraw/zinc/35/12/69/671351269.db2.gz FZQGBMUSOQGQPY-JTQLQIEISA-N -1 0 308.338 -0.431 20 0 DBADRM NC(=O)[C@@H]1C[C@@H](O)CN1Cc1ncc(Br)cc1[O-] ZINC000895491071 671356261 /nfs/dbraw/zinc/35/62/61/671356261.db2.gz DVCBEOUKMMCJLB-APPZFPTMSA-N -1 0 316.155 -0.030 20 0 DBADRM CNS(=O)(=O)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262245366 671369553 /nfs/dbraw/zinc/36/95/53/671369553.db2.gz LEQLRMGLQLSHQM-PHDIDXHHSA-N -1 0 318.273 -0.743 20 0 DBADRM CCS(=O)(=O)CCNC(=O)CNC(=O)c1ccc(O)cc1 ZINC000727860565 671389462 /nfs/dbraw/zinc/38/94/62/671389462.db2.gz MFGRBTPMZIWCRA-UHFFFAOYSA-N -1 0 314.363 -0.327 20 0 DBADRM Cc1cccnc1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000750678612 671421073 /nfs/dbraw/zinc/42/10/73/671421073.db2.gz MSMNDCGMGSNYJB-UHFFFAOYSA-N -1 0 322.346 -0.054 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000896701181 671422448 /nfs/dbraw/zinc/42/24/48/671422448.db2.gz ADFFBUOWSPOXNJ-WDEREUQCSA-N -1 0 301.343 -0.499 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H](CO)c1cc(F)ccc1F ZINC000896702123 671422635 /nfs/dbraw/zinc/42/26/35/671422635.db2.gz KADJEMGJRYFVMO-SNVBAGLBSA-N -1 0 303.265 -0.025 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000896703424 671423199 /nfs/dbraw/zinc/42/31/99/671423199.db2.gz XFRUZQGWYAGMIJ-WDEREUQCSA-N -1 0 301.343 -0.357 20 0 DBADRM Cn1ccc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cc1=O ZINC000262311789 671430114 /nfs/dbraw/zinc/43/01/14/671430114.db2.gz BNUAHVZZGYAEMP-XHDPSFHLSA-N -1 0 306.318 -0.051 20 0 DBADRM Cc1ccc2ncc(C(=O)NC[C@@](C)(O)C(=O)[O-])c(=O)n2c1 ZINC000262335852 671433897 /nfs/dbraw/zinc/43/38/97/671433897.db2.gz BTZANWLLRBLJCP-CQSZACIVSA-N -1 0 305.290 -0.432 20 0 DBADRM O=C(Cc1ncc[nH]1)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001029526931 671444119 /nfs/dbraw/zinc/44/41/19/671444119.db2.gz UPBDNKCWVPTVTG-AOOOYVTPSA-N -1 0 317.353 -0.349 20 0 DBADRM Cc1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1S(C)(=O)=O ZINC000262382652 671446012 /nfs/dbraw/zinc/44/60/12/671446012.db2.gz KREWPWPGTIITAU-CYBMUJFWSA-N -1 0 315.347 -0.036 20 0 DBADRM CC(C)(C)N1C[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)CC1=O ZINC000866903382 671448624 /nfs/dbraw/zinc/44/86/24/671448624.db2.gz JICPDKVTNALZJL-MRVPVSSYSA-N -1 0 311.429 -0.052 20 0 DBADRM CCCC(=O)N1CSC[C@H]1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262472727 671458750 /nfs/dbraw/zinc/45/87/50/671458750.db2.gz ZHIKZSJESZXYFS-QPUJVOFHSA-N -1 0 304.368 -0.360 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000728519589 671459177 /nfs/dbraw/zinc/45/91/77/671459177.db2.gz LWVHBUJIZASSJM-DGCLKSJQSA-N -1 0 313.354 -0.312 20 0 DBADRM C[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000262488959 671464301 /nfs/dbraw/zinc/46/43/01/671464301.db2.gz IWZWRVPFAXUUBA-YMTOWFKASA-N -1 0 319.321 -0.147 20 0 DBADRM C[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000262488956 671464573 /nfs/dbraw/zinc/46/45/73/671464573.db2.gz IWZWRVPFAXUUBA-LKFCYVNXSA-N -1 0 319.321 -0.147 20 0 DBADRM O=C1C[C@H]([N-]S(=O)(=O)N=S2(=O)CCCC2)CN1C1CC1 ZINC000866914069 671466482 /nfs/dbraw/zinc/46/64/82/671466482.db2.gz AEJNLUZSRLRWEF-VIFPVBQESA-N -1 0 321.424 -0.154 20 0 DBADRM C[C@H]1Oc2ccccc2N(CC(=O)NC[C@@](C)(O)C(=O)[O-])C1=O ZINC000262511332 671475717 /nfs/dbraw/zinc/47/57/17/671475717.db2.gz MFBGBJUHJDUPJW-RFAUZJTJSA-N -1 0 322.317 -0.248 20 0 DBADRM C[N@@H+](Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001029667199 671482284 /nfs/dbraw/zinc/48/22/84/671482284.db2.gz UIVJSQTWGNGRJS-GHMZBOCLSA-N -1 0 309.370 -0.173 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1nc(C)cc1C ZINC000797284053 671497510 /nfs/dbraw/zinc/49/75/10/671497510.db2.gz UWIOZGCJPIRNRN-SNVBAGLBSA-N -1 0 317.367 -0.102 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCOC[C@H]1CCCO1 ZINC000797303474 671498687 /nfs/dbraw/zinc/49/86/87/671498687.db2.gz XPRNWBYBVKLSKK-VHSXEESVSA-N -1 0 323.367 -0.420 20 0 DBADRM CC(F)(F)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000937605770 671520864 /nfs/dbraw/zinc/52/08/64/671520864.db2.gz IBMHQGUXNBRKGC-YFKPBYRVSA-N -1 0 317.252 -0.731 20 0 DBADRM Cc1cc(CN2CC[C@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)on1 ZINC001038466643 671526275 /nfs/dbraw/zinc/52/62/75/671526275.db2.gz UWIVUCXKIQIKTQ-QMMMGPOBSA-N -1 0 320.309 -0.416 20 0 DBADRM CCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001013144443 671594602 /nfs/dbraw/zinc/59/46/02/671594602.db2.gz ZFOGDADVNUREBF-RKDXNWHRSA-N -1 0 323.353 -0.269 20 0 DBADRM CCC(CC)(CNC(=O)NC[C@@H]1CC(C(N)=O)=NO1)C(=O)[O-] ZINC000263018645 671614947 /nfs/dbraw/zinc/61/49/47/671614947.db2.gz DNICJLZPMGYHDC-QMMMGPOBSA-N -1 0 314.342 -0.193 20 0 DBADRM CC(=O)N1CCCCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000986800184 671620009 /nfs/dbraw/zinc/62/00/09/671620009.db2.gz GIDGMSRMEWKGLG-SECBINFHSA-N -1 0 309.326 -0.196 20 0 DBADRM CC(=O)N[C@@H](C)C1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000986949056 671626627 /nfs/dbraw/zinc/62/66/27/671626627.db2.gz WCEACKXVSNKYGM-VIFPVBQESA-N -1 0 322.365 -0.137 20 0 DBADRM C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000729067890 671628567 /nfs/dbraw/zinc/62/85/67/671628567.db2.gz SQJNHUDFDLMVCO-ZJUUUORDSA-N -1 0 317.367 -0.191 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](NC(=O)c2ccco2)C1 ZINC000937616206 671661678 /nfs/dbraw/zinc/66/16/78/671661678.db2.gz BXSZFHCMKULXHR-QMMMGPOBSA-N -1 0 321.293 -0.687 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263220740 671664010 /nfs/dbraw/zinc/66/40/10/671664010.db2.gz PACNLFLWOGIYID-VHSXEESVSA-N -1 0 322.383 -0.231 20 0 DBADRM C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000987352519 671678715 /nfs/dbraw/zinc/67/87/15/671678715.db2.gz MNPLKQCFPKIUBP-SFYZADRCSA-N -1 0 319.321 -0.394 20 0 DBADRM C[C@@H]1[C@H](NCc2ccon2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987419200 671685482 /nfs/dbraw/zinc/68/54/82/671685482.db2.gz CEIXVGYNKFNEDB-PSASIEDQSA-N -1 0 322.325 -0.544 20 0 DBADRM CC(=O)N1CC[C@@H](CN(C)C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000987640194 671705568 /nfs/dbraw/zinc/70/55/68/671705568.db2.gz JRNLIBFBNHGJOA-NSHDSACASA-N -1 0 317.349 -0.037 20 0 DBADRM CCC(=O)N1CC[C@H](CN(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000987626861 671706507 /nfs/dbraw/zinc/70/65/07/671706507.db2.gz PNNCHLUMNVZBGW-SNVBAGLBSA-N -1 0 322.365 -0.184 20 0 DBADRM CN(C[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C(=O)C1CC1 ZINC000988172360 671751018 /nfs/dbraw/zinc/75/10/18/671751018.db2.gz LFKORHGMBLOLDR-SECBINFHSA-N -1 0 323.353 -0.594 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cnn(C)c3)C2)c1[O-] ZINC000937661593 671802265 /nfs/dbraw/zinc/80/22/65/671802265.db2.gz VWPBLWIDBJEYTP-JTQLQIEISA-N -1 0 318.337 -0.198 20 0 DBADRM C[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)Cc1cc[nH]n1 ZINC000988447672 671802574 /nfs/dbraw/zinc/80/25/74/671802574.db2.gz KFLODTVNSXKVIV-WPRPVWTQSA-N -1 0 305.342 -0.445 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)c1[O-] ZINC000937698062 671805927 /nfs/dbraw/zinc/80/59/27/671805927.db2.gz CSCQSFISODPGOK-UWVGGRQHSA-N -1 0 324.337 -0.830 20 0 DBADRM CC(=O)N(C)CC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000988579342 671811682 /nfs/dbraw/zinc/81/16/82/671811682.db2.gz ICOGRIAZGLJJPT-UHFFFAOYSA-N -1 0 309.326 -0.387 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NCc3ncnn3C)C[C@@H]2C)c1[O-] ZINC000988633234 671813837 /nfs/dbraw/zinc/81/38/37/671813837.db2.gz LLQLHRYZCSRVBJ-WPRPVWTQSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCOC3)C2)c1[O-] ZINC000937729626 671816298 /nfs/dbraw/zinc/81/62/98/671816298.db2.gz CNSKKICIFQVTPT-UWVGGRQHSA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3ccnn3C)C2)c1[O-] ZINC000937732985 671816951 /nfs/dbraw/zinc/81/69/51/671816951.db2.gz PVNDSLIEUQNVEF-VIFPVBQESA-N -1 0 318.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)Cc3cnoc3)C2)c1[O-] ZINC000937828994 671839757 /nfs/dbraw/zinc/83/97/57/671839757.db2.gz KPIVHZKMLLKBMJ-JTQLQIEISA-N -1 0 319.321 -0.015 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cncnc3)C2)c1[O-] ZINC000937833178 671840175 /nfs/dbraw/zinc/84/01/75/671840175.db2.gz ZYNLLFSIZZRXTH-JTQLQIEISA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3ncc[nH]3)C2)c1[O-] ZINC000937833133 671840195 /nfs/dbraw/zinc/84/01/95/671840195.db2.gz YJGSEDQGIOVZNZ-QMMMGPOBSA-N -1 0 304.310 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cn(C)cn3)C2)c1[O-] ZINC000937831523 671840343 /nfs/dbraw/zinc/84/03/43/671840343.db2.gz HYTVBWKSGMEHEW-VIFPVBQESA-N -1 0 318.337 -0.198 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)C2CC2)C1)c1c[n-]n2c1nccc2=O ZINC000937969879 671858258 /nfs/dbraw/zinc/85/82/58/671858258.db2.gz CCWLCADCTFDLDT-JTQLQIEISA-N -1 0 315.333 -0.237 20 0 DBADRM CC1(C(=O)N[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC000938079061 671867294 /nfs/dbraw/zinc/86/72/94/671867294.db2.gz NRMHKDJETZZDNI-ZETCQYMHSA-N -1 0 307.310 -0.586 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C1CCC1 ZINC000989198511 671997038 /nfs/dbraw/zinc/99/70/38/671997038.db2.gz MHUBNJGWAWKKIG-SCZZXKLOSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(C)=CC(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989197630 671997953 /nfs/dbraw/zinc/99/79/53/671997953.db2.gz GVTDVXHGCZZANC-ZJUUUORDSA-N -1 0 323.353 -0.239 20 0 DBADRM O=C([C@H]1C[C@@]12CCOC2)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000989440330 672511085 /nfs/dbraw/zinc/51/10/85/672511085.db2.gz UTADFMRVODMJJE-IAQYHMDHSA-N -1 0 321.381 -0.029 20 0 DBADRM COCCN(CCOC)C1CN(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC000898251496 672548127 /nfs/dbraw/zinc/54/81/27/672548127.db2.gz XMIVJUFXKIDQOP-UHFFFAOYSA-N -1 0 312.370 -0.455 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1 ZINC000898279564 672549715 /nfs/dbraw/zinc/54/97/15/672549715.db2.gz GJSGHSDGDIXKDC-WDEREUQCSA-N -1 0 316.354 -0.129 20 0 DBADRM C[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)CN1C(=O)c1ccnnc1 ZINC000989481043 672554284 /nfs/dbraw/zinc/55/42/84/672554284.db2.gz NFGLMWUWBGOZRR-WPRPVWTQSA-N -1 0 303.326 -0.307 20 0 DBADRM CC[C@@H](F)CN1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000989562678 672562647 /nfs/dbraw/zinc/56/26/47/672562647.db2.gz JWFCPQHKRBKPFB-SNVBAGLBSA-N -1 0 315.349 -0.028 20 0 DBADRM O=C(Cn1ccnc1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000989783917 672598833 /nfs/dbraw/zinc/59/88/33/672598833.db2.gz LDMPJAZBVRBYGN-UHFFFAOYSA-N -1 0 305.342 -0.559 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000990135715 672654202 /nfs/dbraw/zinc/65/42/02/672654202.db2.gz JHYMSEHPGHXKBV-PSASIEDQSA-N -1 0 315.333 -0.381 20 0 DBADRM Cc1occc1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000990180926 672667445 /nfs/dbraw/zinc/66/74/45/672667445.db2.gz VBNIKHZUNVRFFM-UHFFFAOYSA-N -1 0 319.277 -0.561 20 0 DBADRM O=C(C[C@H]1C=CCC1)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000990183435 672669276 /nfs/dbraw/zinc/66/92/76/672669276.db2.gz UKXORSCXXQZYCO-VIFPVBQESA-N -1 0 321.337 -0.627 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)C[C@@H]3CCCO3)C2)c1[O-] ZINC000990305985 672716442 /nfs/dbraw/zinc/71/64/42/672716442.db2.gz VHJLVCIDGLWWST-JTQLQIEISA-N -1 0 308.338 -0.067 20 0 DBADRM CCO[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000990326653 672741309 /nfs/dbraw/zinc/74/13/09/672741309.db2.gz FJHHUVBMNDCDMB-NXEZZACHSA-N -1 0 308.338 -0.211 20 0 DBADRM CCc1nc(C)c(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001031201337 677341968 /nfs/dbraw/zinc/34/19/68/677341968.db2.gz PGDKVOSEXLUZMV-UHFFFAOYSA-N -1 0 306.326 -0.017 20 0 DBADRM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cc(=O)[nH][n-]2)C[C@H](C)O1 ZINC000731871242 677346508 /nfs/dbraw/zinc/34/65/08/677346508.db2.gz HQLVIWJOSXLZHH-TUAOUCFPSA-N -1 0 308.382 -0.038 20 0 DBADRM O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cc(=O)[nH][n-]1 ZINC000731866594 677346759 /nfs/dbraw/zinc/34/67/59/677346759.db2.gz PPBRXXLJQQLRJF-ZDUSSCGKSA-N -1 0 316.361 -0.121 20 0 DBADRM O=C(NCc1cccnc1N1CCOCC1)c1cc(=O)[nH][n-]1 ZINC000731868376 677346909 /nfs/dbraw/zinc/34/69/09/677346909.db2.gz FPALYIUCKBGIMZ-UHFFFAOYSA-N -1 0 303.322 -0.590 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)OC ZINC000731962298 677348977 /nfs/dbraw/zinc/34/89/77/677348977.db2.gz IHSGTJDJSJUJDB-GZMMTYOYSA-N -1 0 321.337 -0.225 20 0 DBADRM CCOC(=O)CN(CC)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000731977253 677349055 /nfs/dbraw/zinc/34/90/55/677349055.db2.gz OHPDNHIAAYNUQW-UHFFFAOYSA-N -1 0 307.310 -0.517 20 0 DBADRM CC1=C(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)C(=O)OC1(C)C ZINC000732090166 677350595 /nfs/dbraw/zinc/35/05/95/677350595.db2.gz OXOJSLUHZDZZBI-MRVPVSSYSA-N -1 0 307.310 -0.249 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732091499 677350673 /nfs/dbraw/zinc/35/06/73/677350673.db2.gz GPUCVJCPDBGHIF-VIFPVBQESA-N -1 0 317.371 -0.830 20 0 DBADRM O=C(N1CCO[C@@H](c2nnn[n-]2)C1)[C@@]12CCC(=O)N1CCS2 ZINC000732091029 677350710 /nfs/dbraw/zinc/35/07/10/677350710.db2.gz YFQNVQJHQUUVCE-PELKAZGASA-N -1 0 324.366 -0.835 20 0 DBADRM O=C(CCOC[C@H]1CCCO1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732089323 677350747 /nfs/dbraw/zinc/35/07/47/677350747.db2.gz HAKFFDSQIMBPBP-GHMZBOCLSA-N -1 0 311.342 -0.315 20 0 DBADRM CS(=O)(=O)Nc1ccc(C=CC(=O)NCc2nnn[n-]2)cc1 ZINC000732157836 677351586 /nfs/dbraw/zinc/35/15/86/677351586.db2.gz IMQHIUZGIBWZQU-DAXSKMNVSA-N -1 0 322.350 -0.099 20 0 DBADRM O=C(NCc1ccc(N2CCOCC2)nc1)c1cc(=O)[nH][n-]1 ZINC000732264782 677352383 /nfs/dbraw/zinc/35/23/83/677352383.db2.gz XGOWFNDWCAIKQV-UHFFFAOYSA-N -1 0 303.322 -0.590 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(C(=O)c2cccnc2)CC1 ZINC000732273755 677352701 /nfs/dbraw/zinc/35/27/01/677352701.db2.gz CBLOHNPVNGBVTM-UHFFFAOYSA-N -1 0 301.306 -0.758 20 0 DBADRM O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1cc(=O)[nH][n-]1 ZINC000732279179 677352816 /nfs/dbraw/zinc/35/28/16/677352816.db2.gz ZPCPSKICTBPCDM-NSHDSACASA-N -1 0 300.318 -0.220 20 0 DBADRM CCOCCCNC(=O)C1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000732270200 677352945 /nfs/dbraw/zinc/35/29/45/677352945.db2.gz QIZYTVGWINDWET-UHFFFAOYSA-N -1 0 324.381 -0.356 20 0 DBADRM COc1ccnc(N2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)n1 ZINC000732274785 677352960 /nfs/dbraw/zinc/35/29/60/677352960.db2.gz ZQPZARKZOBRCHD-UHFFFAOYSA-N -1 0 304.310 -0.990 20 0 DBADRM O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1cc(=O)[nH][n-]1 ZINC000732287973 677353313 /nfs/dbraw/zinc/35/33/13/677353313.db2.gz KGRDCNUATIVVPQ-SSDOTTSWSA-N -1 0 313.260 -0.303 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)COC(=O)c1cncc(O)c1 ZINC000732392863 677357454 /nfs/dbraw/zinc/35/74/54/677357454.db2.gz IEPVSMBVYZDAAO-UHFFFAOYSA-N -1 0 309.322 -0.025 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCn1cccn1 ZINC000788044419 677357919 /nfs/dbraw/zinc/35/79/19/677357919.db2.gz RLXIAFZTHGELAR-UWVGGRQHSA-N -1 0 317.367 -0.083 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1cccn1 ZINC000788044426 677357989 /nfs/dbraw/zinc/35/79/89/677357989.db2.gz RLXIAFZTHGELAR-VHSXEESVSA-N -1 0 317.367 -0.083 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000732506991 677361988 /nfs/dbraw/zinc/36/19/88/677361988.db2.gz QJMZFBDHZZVMRL-LLVKDONJSA-N -1 0 320.411 -0.027 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC000732507650 677362139 /nfs/dbraw/zinc/36/21/39/677362139.db2.gz DNNIBRHZMGSHRW-LLVKDONJSA-N -1 0 306.384 -0.273 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C1CCCC1 ZINC000732520287 677363483 /nfs/dbraw/zinc/36/34/83/677363483.db2.gz BJXZRIXUJPXYDE-LLVKDONJSA-N -1 0 306.384 -0.226 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000732523598 677364025 /nfs/dbraw/zinc/36/40/25/677364025.db2.gz QVPLMYCPWBTDKU-QMMMGPOBSA-N -1 0 304.324 -0.510 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000732523314 677364064 /nfs/dbraw/zinc/36/40/64/677364064.db2.gz YCXCZGQETAVAED-LLVKDONJSA-N -1 0 313.331 -0.140 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)COCCNC(=O)OC(C)(C)C ZINC000732606820 677366360 /nfs/dbraw/zinc/36/63/60/677366360.db2.gz DWFQNARYNDSPFH-UHFFFAOYSA-N -1 0 310.372 -0.006 20 0 DBADRM CCS(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC000732606621 677366425 /nfs/dbraw/zinc/36/64/25/677366425.db2.gz NSBZWUNEHQVSTK-UHFFFAOYSA-N -1 0 316.335 -0.361 20 0 DBADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000732904068 677376787 /nfs/dbraw/zinc/37/67/87/677376787.db2.gz OWHBUYXGKRCVBI-VIFPVBQESA-N -1 0 314.429 -0.240 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cn[nH]n2)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000993542289 677380432 /nfs/dbraw/zinc/38/04/32/677380432.db2.gz NQWOXTOQEAOEKT-JGVFFNPUSA-N -1 0 306.330 -0.589 20 0 DBADRM Cc1ncn(C)c1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000994012408 677398679 /nfs/dbraw/zinc/39/86/79/677398679.db2.gz QYAOFMUOEFMLIA-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cn[nH]c(=O)c3)C2)c1[O-] ZINC000994041957 677401712 /nfs/dbraw/zinc/40/17/12/677401712.db2.gz UFAMLGXTHDUODC-UHFFFAOYSA-N -1 0 318.293 -0.826 20 0 DBADRM CCC(CC)CS(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000733062784 677412869 /nfs/dbraw/zinc/41/28/69/677412869.db2.gz XDFPUGOWSJKVQS-UHFFFAOYSA-N -1 0 314.429 -0.240 20 0 DBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)c1=O ZINC000153846968 677414240 /nfs/dbraw/zinc/41/42/40/677414240.db2.gz ITIWTVQCNISGKO-BQYQJAHWSA-N -1 0 322.346 -0.301 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2c(C)n[nH]c2C)C1=O ZINC000916104800 677414482 /nfs/dbraw/zinc/41/44/82/677414482.db2.gz ANFCDQXKLCNUHW-NSHDSACASA-N -1 0 315.355 -0.060 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(Cc2cccc(F)c2)C1 ZINC001031314629 677416557 /nfs/dbraw/zinc/41/65/57/677416557.db2.gz DDFBHRPLQSFDJL-UHFFFAOYSA-N -1 0 321.312 -0.171 20 0 DBADRM Cc1ccccc1CN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001031314675 677416562 /nfs/dbraw/zinc/41/65/62/677416562.db2.gz GAMKDFUWRDUJMA-UHFFFAOYSA-N -1 0 317.349 -0.002 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)cc1 ZINC000916752409 677424322 /nfs/dbraw/zinc/42/43/22/677424322.db2.gz AMONBWIUPXACCD-UHFFFAOYSA-N -1 0 323.330 -0.087 20 0 DBADRM O=C(CN1CCCCCC1=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031362228 677433334 /nfs/dbraw/zinc/43/33/34/677433334.db2.gz YRASVHPHLAVVPJ-UHFFFAOYSA-N -1 0 322.369 -0.787 20 0 DBADRM Cc1csc(=O)n1CC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031376898 677438191 /nfs/dbraw/zinc/43/81/91/677438191.db2.gz HWHNBCMCZPKQCQ-UHFFFAOYSA-N -1 0 324.366 -0.957 20 0 DBADRM CCc1ncncc1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031398730 677442611 /nfs/dbraw/zinc/44/26/11/677442611.db2.gz WMMGHPJPOBOEPE-UHFFFAOYSA-N -1 0 303.326 -0.523 20 0 DBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ncc2n1CCCC2 ZINC001031409424 677444255 /nfs/dbraw/zinc/44/42/55/677444255.db2.gz RTVKMGRHAPFJAU-UHFFFAOYSA-N -1 0 317.353 -0.343 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N(C)CC(=O)[O-] ZINC000917716982 677445425 /nfs/dbraw/zinc/44/54/25/677445425.db2.gz HVPIGRUGQAWZPJ-UHFFFAOYSA-N -1 0 305.312 -0.400 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)NCCC(=O)[O-] ZINC000917718352 677445556 /nfs/dbraw/zinc/44/55/56/677445556.db2.gz VFQDPZJODGMJLB-UHFFFAOYSA-N -1 0 305.312 -0.352 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000918846880 677462740 /nfs/dbraw/zinc/46/27/40/677462740.db2.gz VITHPEYBPFXWLF-NXEZZACHSA-N -1 0 300.359 -0.390 20 0 DBADRM Cc1c(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001031550224 677466185 /nfs/dbraw/zinc/46/61/85/677466185.db2.gz OZSKVHHNVYYCBX-UHFFFAOYSA-N -1 0 305.342 -0.586 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C ZINC000919380425 677474193 /nfs/dbraw/zinc/47/41/93/677474193.db2.gz FPEICQUWFKZKAR-VHSXEESVSA-N -1 0 300.359 -0.247 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cccc(=O)[nH]1 ZINC001031600816 677477792 /nfs/dbraw/zinc/47/77/92/677477792.db2.gz VGRGZHGEIHFREP-UHFFFAOYSA-N -1 0 304.310 -0.527 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN([C@H](C)C(=O)N(C)C)C2)c1[O-] ZINC001031616469 677481193 /nfs/dbraw/zinc/48/11/93/677481193.db2.gz VRAIOZDRWBVCKZ-SECBINFHSA-N -1 0 309.370 -0.438 20 0 DBADRM Cc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)ncn1 ZINC001031619707 677481732 /nfs/dbraw/zinc/48/17/32/677481732.db2.gz JATZYHRPDOPKCY-UHFFFAOYSA-N -1 0 303.326 -0.529 20 0 DBADRM Cc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)cnn1 ZINC001031635323 677487549 /nfs/dbraw/zinc/48/75/49/677487549.db2.gz RBGRTMCOWQDRJZ-UHFFFAOYSA-N -1 0 303.326 -0.529 20 0 DBADRM COc1cccc(CCC(=O)NCC(=O)NCC(=O)[O-])c1OC ZINC000920935968 677498193 /nfs/dbraw/zinc/49/81/93/677498193.db2.gz CCEGPWWVZGEZGO-UHFFFAOYSA-N -1 0 324.333 -0.047 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cn2c(n1)CCC2 ZINC001031680467 677498415 /nfs/dbraw/zinc/49/84/15/677498415.db2.gz FPUROFMMZQHNBO-UHFFFAOYSA-N -1 0 317.353 -0.485 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)CCn1cccn1 ZINC000921380072 677503352 /nfs/dbraw/zinc/50/33/52/677503352.db2.gz CRBDOTUDWFCSHL-JTQLQIEISA-N -1 0 305.356 -0.619 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938399996 677519419 /nfs/dbraw/zinc/51/94/19/677519419.db2.gz IJHUZOIVNNEAPM-KXUCPTDWSA-N -1 0 320.349 -0.527 20 0 DBADRM CC[C@@H](F)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938388359 677519949 /nfs/dbraw/zinc/51/99/49/677519949.db2.gz QHUARRNVYZFFBM-JGVFFNPUSA-N -1 0 315.305 -0.846 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938388230 677519955 /nfs/dbraw/zinc/51/99/55/677519955.db2.gz NWTZJEFZCYUWNV-HRDYMLBCSA-N -1 0 309.326 -0.938 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)C2=CCCC2)C1 ZINC000938388640 677520069 /nfs/dbraw/zinc/52/00/69/677520069.db2.gz GUUWGIXVSRAIIG-JTQLQIEISA-N -1 0 321.337 -0.483 20 0 DBADRM CC(C)CC(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938388712 677520156 /nfs/dbraw/zinc/52/01/56/677520156.db2.gz JXAPGWATDYZHRA-VIFPVBQESA-N -1 0 311.342 -0.548 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[N-]C(=O)c2ccccn2)cc1 ZINC000068191477 677545533 /nfs/dbraw/zinc/54/55/33/677545533.db2.gz SZCMRMGNMZERON-UHFFFAOYSA-N -1 0 320.330 -0.196 20 0 DBADRM CC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938718487 677550657 /nfs/dbraw/zinc/55/06/57/677550657.db2.gz JMGDGMZAFMWWCL-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM CN(C(=O)c1cc[nH]n1)[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC000938735994 677550977 /nfs/dbraw/zinc/55/09/77/677550977.db2.gz FGDLYOLBNDPJIP-SECBINFHSA-N -1 0 316.321 -0.108 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(C(=O)c3cn[nH]n3)C2)c1[O-] ZINC000938830971 677555955 /nfs/dbraw/zinc/55/59/55/677555955.db2.gz LTLRGQTUIXVWAQ-QMMMGPOBSA-N -1 0 319.325 -0.471 20 0 DBADRM CC(=O)N(C)[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000938832385 677556924 /nfs/dbraw/zinc/55/69/24/677556924.db2.gz BRUDURHCWIVJCT-SECBINFHSA-N -1 0 309.326 -0.705 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)c1[O-] ZINC000938899206 677561331 /nfs/dbraw/zinc/56/13/31/677561331.db2.gz RGNTYRBQHSMOFX-QMMMGPOBSA-N -1 0 319.325 -0.885 20 0 DBADRM CC(C)C(=O)N(C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938942945 677563877 /nfs/dbraw/zinc/56/38/77/677563877.db2.gz OWHIXQBTNJTVFR-QMMMGPOBSA-N -1 0 309.326 -0.388 20 0 DBADRM CCOc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)[nH]n1 ZINC001031763156 677567938 /nfs/dbraw/zinc/56/79/38/677567938.db2.gz KNONJGZZIRPKCD-UHFFFAOYSA-N -1 0 321.341 -0.506 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000939069052 677575044 /nfs/dbraw/zinc/57/50/44/677575044.db2.gz ZNIAFUBKUHZQRS-QCLAVDOMSA-N -1 0 323.353 -0.692 20 0 DBADRM CO[C@H]1CCC[C@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031794329 677581674 /nfs/dbraw/zinc/58/16/74/677581674.db2.gz SPMIIEDYXYVCRT-MNOVXSKESA-N -1 0 309.370 -0.127 20 0 DBADRM O=C(NCC1CN(Cc2ccccn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001031817625 677602225 /nfs/dbraw/zinc/60/22/25/677602225.db2.gz MJOJWWBGUMFNLM-UHFFFAOYSA-N -1 0 316.321 -0.460 20 0 DBADRM C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC000939534835 677613507 /nfs/dbraw/zinc/61/35/07/677613507.db2.gz MXUJMPIDGKLEKK-MWLCHTKSSA-N -1 0 319.369 -0.577 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCOC3)C2)c1[O-] ZINC000939635033 677618854 /nfs/dbraw/zinc/61/88/54/677618854.db2.gz CNSKKICIFQVTPT-VHSXEESVSA-N -1 0 308.338 -0.209 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCOC3)C2)c1[O-] ZINC000939635032 677619039 /nfs/dbraw/zinc/61/90/39/677619039.db2.gz CNSKKICIFQVTPT-NXEZZACHSA-N -1 0 308.338 -0.209 20 0 DBADRM CCOc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001031853083 677634758 /nfs/dbraw/zinc/63/47/58/677634758.db2.gz XPAXWHVICMGUTO-UHFFFAOYSA-N -1 0 322.325 -0.241 20 0 DBADRM O=C(C=C1CCC1)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000939974582 677641712 /nfs/dbraw/zinc/64/17/12/677641712.db2.gz YNDOATRQPHUMAY-SECBINFHSA-N -1 0 319.321 -0.276 20 0 DBADRM O=C(C=C1CCC1)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000939977866 677642972 /nfs/dbraw/zinc/64/29/72/677642972.db2.gz VOFOBJWKVQCLFG-SNVBAGLBSA-N -1 0 321.337 -0.483 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3ncn(C)n3)C2)c1[O-] ZINC000940041492 677645338 /nfs/dbraw/zinc/64/53/38/677645338.db2.gz CQPQMJXJRPLYLU-MRVPVSSYSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)c1[O-] ZINC000940047758 677645517 /nfs/dbraw/zinc/64/55/17/677645517.db2.gz PVQLAYAYYFSCQJ-MRVPVSSYSA-N -1 0 323.353 -0.734 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)c1[O-] ZINC000940048023 677645607 /nfs/dbraw/zinc/64/56/07/677645607.db2.gz VNMGQHUDCCHABJ-MRVPVSSYSA-N -1 0 321.337 -0.980 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3ncccn3)C2)c1[O-] ZINC000940047430 677645626 /nfs/dbraw/zinc/64/56/26/677645626.db2.gz HCUKYBSRJJQHHG-SECBINFHSA-N -1 0 316.321 -0.142 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)c1[O-] ZINC000940038481 677645840 /nfs/dbraw/zinc/64/58/40/677645840.db2.gz CKNCQKKFGQSLKB-RKDXNWHRSA-N -1 0 321.337 -0.967 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cnnn3C)C2)c1[O-] ZINC000940226197 677654023 /nfs/dbraw/zinc/65/40/23/677654023.db2.gz PDOVEWBDBAUXCD-MRVPVSSYSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031885678 677664871 /nfs/dbraw/zinc/66/48/71/677664871.db2.gz ROTYHGDJOPKCAK-UHFFFAOYSA-N -1 0 319.369 -0.278 20 0 DBADRM CC[C@@H](F)CN1CC(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001031895108 677670138 /nfs/dbraw/zinc/67/01/38/677670138.db2.gz NDEMNHUSQSLTSS-SNVBAGLBSA-N -1 0 312.345 -0.104 20 0 DBADRM C/C=C(\C)C(=O)N1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000940701448 677709182 /nfs/dbraw/zinc/70/91/82/677709182.db2.gz KMFBTSFTORDVBK-YCRREMRBSA-N -1 0 321.337 -0.077 20 0 DBADRM O=C(C1CCC1)N1CCN(C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000941272936 677773116 /nfs/dbraw/zinc/77/31/16/677773116.db2.gz UDHGAJXCMPCMQU-UHFFFAOYSA-N -1 0 320.397 -0.361 20 0 DBADRM Cn1cccc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)c1=O ZINC000941446166 677805380 /nfs/dbraw/zinc/80/53/80/677805380.db2.gz FQZGAGVICHVJSB-SECBINFHSA-N -1 0 316.321 -0.852 20 0 DBADRM CCn1ncc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)n1 ZINC000941442786 677808234 /nfs/dbraw/zinc/80/82/34/677808234.db2.gz AEHMGVLZZRTNEJ-MRVPVSSYSA-N -1 0 304.314 -0.939 20 0 DBADRM CO[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941546654 677823422 /nfs/dbraw/zinc/82/34/22/677823422.db2.gz QFOWGKNAUGLHBZ-RNFRBKRXSA-N -1 0 318.280 -0.356 20 0 DBADRM C[C@H]1COCC[C@@H]1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001031958255 677824066 /nfs/dbraw/zinc/82/40/66/677824066.db2.gz ACZAADBYMCDHFR-ONGXEEELSA-N -1 0 309.370 -0.269 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2cc[nH]c2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000941789373 677848753 /nfs/dbraw/zinc/84/87/53/677848753.db2.gz TWFSPFIIVSIXCF-MRVPVSSYSA-N -1 0 318.293 -0.745 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cnn(C)c1 ZINC000941799164 677851249 /nfs/dbraw/zinc/85/12/49/677851249.db2.gz MOOQSGWUCHRROB-KOLCDFICSA-N -1 0 319.369 -0.116 20 0 DBADRM O=C(N[C@@H]1CCN(C(=O)c2ccco2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000941792090 677852690 /nfs/dbraw/zinc/85/26/90/677852690.db2.gz JOEOIXLAFJGANT-SSDOTTSWSA-N -1 0 319.277 -0.480 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)C2CC=CC2)C1 ZINC000941933950 677864687 /nfs/dbraw/zinc/86/46/87/677864687.db2.gz HFMZSJIXZUFVJM-SNVBAGLBSA-N -1 0 321.337 -0.627 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000941973716 677869343 /nfs/dbraw/zinc/86/93/43/677869343.db2.gz LBWSHVFNISONIW-MRVPVSSYSA-N -1 0 319.325 -0.505 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1ncn(C)n1 ZINC000942023930 677876361 /nfs/dbraw/zinc/87/63/61/677876361.db2.gz GMDOHAPTOWFDRZ-RKDXNWHRSA-N -1 0 320.357 -0.721 20 0 DBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc(C2CC2)n[nH]1 ZINC001031999781 677892336 /nfs/dbraw/zinc/89/23/36/677892336.db2.gz CEDUYFGRTVQRJG-UHFFFAOYSA-N -1 0 317.353 -0.027 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000942178244 677892774 /nfs/dbraw/zinc/89/27/74/677892774.db2.gz IRCJFXCPECGXDM-RNJXMRFFSA-N -1 0 307.310 -0.731 20 0 DBADRM Cn1ccc(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC000995220315 677900314 /nfs/dbraw/zinc/90/03/14/677900314.db2.gz BMEZPZVJKWJVIA-VHSXEESVSA-N -1 0 319.369 -0.068 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cncn1C ZINC000942303072 677911805 /nfs/dbraw/zinc/91/18/05/677911805.db2.gz KNVTXDRBSMBHGZ-NXEZZACHSA-N -1 0 319.369 -0.116 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3n[nH]cc3F)C2)c1[O-] ZINC000942351556 677922297 /nfs/dbraw/zinc/92/22/97/677922297.db2.gz USJOBTMNQQNKRB-SSDOTTSWSA-N -1 0 322.300 -0.070 20 0 DBADRM CCc1oncc1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032018571 677925807 /nfs/dbraw/zinc/92/58/07/677925807.db2.gz LZZBTIWDGXGFNP-UHFFFAOYSA-N -1 0 306.326 -0.078 20 0 DBADRM CCN(C(=O)c1cnc([O-])n(C)c1=O)[C@H]1CCN(C(C)=O)C1 ZINC000942897360 677968256 /nfs/dbraw/zinc/96/82/56/677968256.db2.gz LKTQBXCNTVOJRG-JTQLQIEISA-N -1 0 308.338 -0.431 20 0 DBADRM Cc1n[nH]c(C)c1C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032057813 677971669 /nfs/dbraw/zinc/97/16/69/677971669.db2.gz XDDGVYWDIBYTOX-UHFFFAOYSA-N -1 0 305.342 -0.288 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CCN(C(=O)C2CCC2)CC1 ZINC000943277247 677987540 /nfs/dbraw/zinc/98/75/40/677987540.db2.gz OGHQJGITVUTQRC-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cnn(C)n1 ZINC000943582718 678005962 /nfs/dbraw/zinc/00/59/62/678005962.db2.gz VBWFAFRMYUYRMU-RKDXNWHRSA-N -1 0 320.357 -0.721 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)Cc2nc[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947909359 678013769 /nfs/dbraw/zinc/01/37/69/678013769.db2.gz ZFNNXBBVXHMPDA-RKDXNWHRSA-N -1 0 320.357 -0.660 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000943827867 678021285 /nfs/dbraw/zinc/02/12/85/678021285.db2.gz YETGFUGUGRQRBF-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000943826256 678022642 /nfs/dbraw/zinc/02/26/42/678022642.db2.gz MSHFGMPHSSKGPY-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000943826257 678022801 /nfs/dbraw/zinc/02/28/01/678022801.db2.gz MSHFGMPHSSKGPY-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM CC(C)=CC(=O)N1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943843706 678024311 /nfs/dbraw/zinc/02/43/11/678024311.db2.gz GZTDDQSZKFNRKN-SECBINFHSA-N -1 0 321.337 -0.030 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NC[C@H]1CCCN1C(=O)CC(N)=O ZINC000943921358 678033030 /nfs/dbraw/zinc/03/30/30/678033030.db2.gz AAROVNFEQKBKNA-SECBINFHSA-N -1 0 321.337 -0.913 20 0 DBADRM Cn1cccc(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)c1=O ZINC001032136193 678044157 /nfs/dbraw/zinc/04/41/57/678044157.db2.gz FHDNPXWOLRMZJF-UHFFFAOYSA-N -1 0 318.337 -0.929 20 0 DBADRM CC(=O)NC[C@H]1CCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC000944025741 678047529 /nfs/dbraw/zinc/04/75/29/678047529.db2.gz CFZAHCMLVWXBAE-SNVBAGLBSA-N -1 0 303.322 -0.237 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000944205163 678063842 /nfs/dbraw/zinc/06/38/42/678063842.db2.gz ZPEZTZBZGYHOJH-YIZRAAEISA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N1CCC2(CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC000944336691 678075406 /nfs/dbraw/zinc/07/54/06/678075406.db2.gz ULTKGKQUXHFORV-UHFFFAOYSA-N -1 0 323.353 -0.450 20 0 DBADRM CC(C)C(=O)N1CCC(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000944382687 678077013 /nfs/dbraw/zinc/07/70/13/678077013.db2.gz BDGVFXQMRNXKDE-UHFFFAOYSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)N1CCC2(C1)CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC000944398771 678078085 /nfs/dbraw/zinc/07/80/85/678078085.db2.gz DZLMVGGOQQZATJ-UHFFFAOYSA-N -1 0 321.337 -0.243 20 0 DBADRM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)Cn1cncn1 ZINC000944653580 678111486 /nfs/dbraw/zinc/11/14/86/678111486.db2.gz MTNKPOLVRXMATD-UWVGGRQHSA-N -1 0 320.357 -0.871 20 0 DBADRM CC(=O)N1CC2(C1)CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC000944993944 678138166 /nfs/dbraw/zinc/13/81/66/678138166.db2.gz WADWHZBZLOZPQE-UHFFFAOYSA-N -1 0 309.326 -0.840 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](C)C1 ZINC000945075326 678141396 /nfs/dbraw/zinc/14/13/96/678141396.db2.gz XFNHRJILOJXMQS-GXSJLCMTSA-N -1 0 322.365 -0.137 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H](C)C1 ZINC000945075328 678141494 /nfs/dbraw/zinc/14/14/94/678141494.db2.gz XFNHRJILOJXMQS-MWLCHTKSSA-N -1 0 322.365 -0.137 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](C)C1 ZINC000945079382 678141663 /nfs/dbraw/zinc/14/16/63/678141663.db2.gz RPNXATZRCYDXQS-RKDXNWHRSA-N -1 0 311.342 -0.548 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](C)C1 ZINC000945079376 678141711 /nfs/dbraw/zinc/14/17/11/678141711.db2.gz RPNXATZRCYDXQS-BDAKNGLRSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000945092508 678142443 /nfs/dbraw/zinc/14/24/43/678142443.db2.gz OBBWECDWTSQECS-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]2C)c1[O-] ZINC000945224301 678145738 /nfs/dbraw/zinc/14/57/38/678145738.db2.gz GZXDNEUNNAQTJF-CBAPKCEASA-N -1 0 323.353 -0.734 20 0 DBADRM C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000945312224 678149713 /nfs/dbraw/zinc/14/97/13/678149713.db2.gz SMPMWSVWUCYHGA-IUCAKERBSA-N -1 0 318.341 -0.786 20 0 DBADRM C[C@H]1CN(C(=O)Cn2nccn2)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000945341403 678150606 /nfs/dbraw/zinc/15/06/06/678150606.db2.gz NMKPJRRRHCFCJE-UWVGGRQHSA-N -1 0 318.341 -0.937 20 0 DBADRM CC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000945654281 678168979 /nfs/dbraw/zinc/16/89/79/678168979.db2.gz MZXJOKOHXKURHE-PSASIEDQSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000945791412 678175091 /nfs/dbraw/zinc/17/50/91/678175091.db2.gz WMYXPCFJWZSIJD-PSASIEDQSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000945788029 678175118 /nfs/dbraw/zinc/17/51/18/678175118.db2.gz KUMDPHCYKMFMLT-BXKDBHETSA-N -1 0 322.365 -0.137 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000945941484 678186962 /nfs/dbraw/zinc/18/69/62/678186962.db2.gz DWASBSMVKFPRDX-IONNQARKSA-N -1 0 321.341 -0.158 20 0 DBADRM Cc1c(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001032280791 678188120 /nfs/dbraw/zinc/18/81/20/678188120.db2.gz YFRFGGKTGBHMHY-UWVGGRQHSA-N -1 0 317.353 -0.349 20 0 DBADRM CCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000946055830 678197344 /nfs/dbraw/zinc/19/73/44/678197344.db2.gz FNSPUNYTOSRXDQ-HTQZYQBOSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000946068562 678197849 /nfs/dbraw/zinc/19/78/49/678197849.db2.gz KNEKVORNRPWGQX-GXSJLCMTSA-N -1 0 308.338 -0.480 20 0 DBADRM CCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000946060861 678197852 /nfs/dbraw/zinc/19/78/52/678197852.db2.gz QQDUFAATBJIGAD-MWLCHTKSSA-N -1 0 322.365 -0.089 20 0 DBADRM CCC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000946060862 678197968 /nfs/dbraw/zinc/19/79/68/678197968.db2.gz QQDUFAATBJIGAD-ONGXEEELSA-N -1 0 322.365 -0.089 20 0 DBADRM CCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000946060860 678197986 /nfs/dbraw/zinc/19/79/86/678197986.db2.gz QQDUFAATBJIGAD-KOLCDFICSA-N -1 0 322.365 -0.089 20 0 DBADRM CC(C)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000946136382 678205861 /nfs/dbraw/zinc/20/58/61/678205861.db2.gz WRLNDBBINQSJRE-BDAKNGLRSA-N -1 0 323.353 -0.047 20 0 DBADRM CO[C@H](C)C(=O)N1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000996398426 678240482 /nfs/dbraw/zinc/24/04/82/678240482.db2.gz UUIHXVUUWDLCAZ-SSDOTTSWSA-N -1 0 320.305 -0.096 20 0 DBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)CCC1 ZINC000733689769 678250729 /nfs/dbraw/zinc/25/07/29/678250729.db2.gz BYXJNJBTPQJIKE-JTQLQIEISA-N -1 0 318.395 -0.082 20 0 DBADRM CCn1cnc(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)c1 ZINC000996483393 678251396 /nfs/dbraw/zinc/25/13/96/678251396.db2.gz HLHQLNCZHUQZCO-UHFFFAOYSA-N -1 0 318.337 -0.105 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccco1 ZINC000733715654 678253250 /nfs/dbraw/zinc/25/32/50/678253250.db2.gz YOTYAVZKVYEEEL-SECBINFHSA-N -1 0 318.351 -0.120 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cs1 ZINC000733715212 678253634 /nfs/dbraw/zinc/25/36/34/678253634.db2.gz QFTBDMNQFXZINN-ZCFIWIBFSA-N -1 0 306.365 -0.059 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)CC1CC1 ZINC000733703521 678254044 /nfs/dbraw/zinc/25/40/44/678254044.db2.gz QMEUMHSWPISMKF-UHFFFAOYSA-N -1 0 310.397 -0.732 20 0 DBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733719365 678255537 /nfs/dbraw/zinc/25/55/37/678255537.db2.gz MWGRWRFIYGTMMP-QMMMGPOBSA-N -1 0 311.381 -0.482 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000733718359 678255765 /nfs/dbraw/zinc/25/57/65/678255765.db2.gz VCOVJKACVVWOQH-SECBINFHSA-N -1 0 320.367 -0.604 20 0 DBADRM O=C(CCCNC(=O)C1CC1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733721484 678255795 /nfs/dbraw/zinc/25/57/95/678255795.db2.gz HEUBPJXDLUIBDK-SNVBAGLBSA-N -1 0 304.368 -0.472 20 0 DBADRM CC(C)(C)C(=O)NCCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733721544 678255842 /nfs/dbraw/zinc/25/58/42/678255842.db2.gz AXMFXEPTIYWWSF-VIFPVBQESA-N -1 0 306.384 -0.226 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C ZINC000733714095 678255971 /nfs/dbraw/zinc/25/59/71/678255971.db2.gz BMFCFYLIJXIVDQ-HTQZYQBOSA-N -1 0 322.412 -0.223 20 0 DBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@@]12CCC(=O)N1CCS2 ZINC000733722914 678256093 /nfs/dbraw/zinc/25/60/93/678256093.db2.gz NOULKBPSXPFQCW-KWQFWETISA-N -1 0 320.392 -0.713 20 0 DBADRM C[C@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733723158 678256186 /nfs/dbraw/zinc/25/61/86/678256186.db2.gz KLEYXJMJCDJSPT-GXSJLCMTSA-N -1 0 318.395 -0.084 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1ccc(-n2cnnn2)cc1 ZINC000733725129 678256521 /nfs/dbraw/zinc/25/65/21/678256521.db2.gz LUDWRCZQOXZSIG-LLVKDONJSA-N -1 0 323.334 -0.489 20 0 DBADRM O=C(C1=COCCC1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032308919 678270553 /nfs/dbraw/zinc/27/05/53/678270553.db2.gz LHYLTPOHPCEJER-QWRGUYRKSA-N -1 0 305.338 -0.010 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CCc1cnn(C)c1 ZINC000734087638 678274461 /nfs/dbraw/zinc/27/44/61/678274461.db2.gz ABLVWIAVOBWOLM-UHFFFAOYSA-N -1 0 317.367 -0.248 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000734088996 678274723 /nfs/dbraw/zinc/27/47/23/678274723.db2.gz HPJVSHRZRQSJON-SECBINFHSA-N -1 0 320.367 -0.746 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CCN1CCCC1=O ZINC000734091275 678274957 /nfs/dbraw/zinc/27/49/57/678274957.db2.gz RAGZDCXIAUCVOM-UHFFFAOYSA-N -1 0 320.367 -0.602 20 0 DBADRM CCn1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)OC)cn1 ZINC000734089193 678274967 /nfs/dbraw/zinc/27/49/67/678274967.db2.gz RSIFMTFRYRTVOG-UHFFFAOYSA-N -1 0 303.340 -0.084 20 0 DBADRM CC(C)[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996737034 678289888 /nfs/dbraw/zinc/28/98/88/678289888.db2.gz RVCAEPNTWOEHMH-IUCAKERBSA-N -1 0 321.337 -0.485 20 0 DBADRM O=C(NC1CN(C(=O)C2=CCCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996736020 678289919 /nfs/dbraw/zinc/28/99/19/678289919.db2.gz NQUUUDMURRAVDN-UHFFFAOYSA-N -1 0 305.294 -0.666 20 0 DBADRM Cc1cc(CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)no1 ZINC001032321537 678290125 /nfs/dbraw/zinc/29/01/25/678290125.db2.gz YISILUROYXLDMP-QWRGUYRKSA-N -1 0 318.337 -0.165 20 0 DBADRM O=C(Cc1ccco1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996733637 678290168 /nfs/dbraw/zinc/29/01/68/678290168.db2.gz BCDZKYMTCAHNBH-UHFFFAOYSA-N -1 0 319.277 -0.941 20 0 DBADRM O=C(NC1CN(C(=O)[C@]23C[C@H]2CCC3)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996734200 678290301 /nfs/dbraw/zinc/29/03/01/678290301.db2.gz GGYYMJVHVFFXNW-NXSYQRQQSA-N -1 0 319.321 -0.586 20 0 DBADRM Cc1coc(C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)c1 ZINC000996742144 678290713 /nfs/dbraw/zinc/29/07/13/678290713.db2.gz AJAKFTDZEGZIKK-UHFFFAOYSA-N -1 0 319.277 -0.561 20 0 DBADRM CC(C)(C)CC(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996745414 678290756 /nfs/dbraw/zinc/29/07/56/678290756.db2.gz PMCITSLRXDBDOA-UHFFFAOYSA-N -1 0 309.326 -0.340 20 0 DBADRM C[C@H]1CC[C@H](C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000996745358 678291035 /nfs/dbraw/zinc/29/10/35/678291035.db2.gz NPLBBTHEQXSFJQ-YUMQZZPRSA-N -1 0 321.337 -0.340 20 0 DBADRM O=C(NC1CN(C(=O)[C@@H]2CC=CCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000996747449 678291762 /nfs/dbraw/zinc/29/17/62/678291762.db2.gz ZQORJABPBAISQH-MRVPVSSYSA-N -1 0 319.321 -0.420 20 0 DBADRM C[C@H](C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCC1 ZINC000996746280 678291770 /nfs/dbraw/zinc/29/17/70/678291770.db2.gz STKYUWWAQRLCCD-ZETCQYMHSA-N -1 0 321.337 -0.340 20 0 DBADRM NC(=O)C1(c2ccccc2)CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000734552861 678291788 /nfs/dbraw/zinc/29/17/88/678291788.db2.gz VCERVNYRAIVHAB-UHFFFAOYSA-N -1 0 314.345 -0.092 20 0 DBADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735216099 678321386 /nfs/dbraw/zinc/32/13/86/678321386.db2.gz JWQZAOMLQCEIMB-UHFFFAOYSA-N -1 0 317.367 -0.668 20 0 DBADRM CC(C)(C)C[C@@H](O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000735332240 678324863 /nfs/dbraw/zinc/32/48/63/678324863.db2.gz YGODZCGGXZVUEE-SECBINFHSA-N -1 0 307.354 -0.016 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)N2CCC2)c1[O-] ZINC001032355437 678341164 /nfs/dbraw/zinc/34/11/64/678341164.db2.gz CMKSYLHUKIZDKY-QWRGUYRKSA-N -1 0 319.365 -0.445 20 0 DBADRM COc1cc(OC)cc([C@@H](O)CNC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000735693948 678341288 /nfs/dbraw/zinc/34/12/88/678341288.db2.gz OJKKLYHUXHWWJP-LBPRGKRZSA-N -1 0 307.306 -0.271 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nnnn2C)c1[O-] ZINC001032356457 678343313 /nfs/dbraw/zinc/34/33/13/678343313.db2.gz UQWHOUANXZNKLE-IUCAKERBSA-N -1 0 318.341 -0.954 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@@H]2CCN(C)C2=O)c1[O-] ZINC001032359300 678345202 /nfs/dbraw/zinc/34/52/02/678345202.db2.gz SOMFLHQOLHCMJF-GARJFASQSA-N -1 0 319.365 -0.447 20 0 DBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)OC ZINC000735771353 678345382 /nfs/dbraw/zinc/34/53/82/678345382.db2.gz GJXNLKSJEUWIJS-BDAKNGLRSA-N -1 0 308.356 -0.590 20 0 DBADRM O=C(CC1OCCCO1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032372066 678373347 /nfs/dbraw/zinc/37/33/47/678373347.db2.gz KNHOUZKMEQUZCA-UWVGGRQHSA-N -1 0 323.353 -0.552 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000997258780 678423547 /nfs/dbraw/zinc/42/35/47/678423547.db2.gz VLPXJPYEQBDQCZ-DTWKUNHWSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)C2CCCC2)C1 ZINC000997264658 678424105 /nfs/dbraw/zinc/42/41/05/678424105.db2.gz KOPADLWFRDHUGN-UHFFFAOYSA-N -1 0 309.326 -0.794 20 0 DBADRM CC1CC(C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000997262984 678424230 /nfs/dbraw/zinc/42/42/30/678424230.db2.gz DCTFRHCAOBLRKX-UHFFFAOYSA-N -1 0 309.326 -0.938 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)C=C2CCC2)C1 ZINC000997267088 678424658 /nfs/dbraw/zinc/42/46/58/678424658.db2.gz UIQLEYMUEKTLSK-UHFFFAOYSA-N -1 0 307.310 -0.873 20 0 DBADRM CC(C)=C(F)C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997267881 678424690 /nfs/dbraw/zinc/42/46/90/678424690.db2.gz WJFFIEJXGLBONQ-UHFFFAOYSA-N -1 0 313.289 -0.720 20 0 DBADRM CC[C@H](F)C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997360590 678434207 /nfs/dbraw/zinc/43/42/07/678434207.db2.gz ITUWHTOSCZKWDW-VIFPVBQESA-N -1 0 312.301 -0.825 20 0 DBADRM CC[C@@H]1CN(C(=O)N=c2nn[n-]n2CC)C[C@H](C)[S@@]1=O ZINC000888327202 678437128 /nfs/dbraw/zinc/43/71/28/678437128.db2.gz UQFJGACYTOUDLR-WDKLKTEZSA-N -1 0 300.388 -0.122 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000888327198 678437130 /nfs/dbraw/zinc/43/71/30/678437130.db2.gz UOQSAPRAZYPMIQ-QWRGUYRKSA-N -1 0 309.374 -0.558 20 0 DBADRM Cc1ncc(CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[n-]2)o1 ZINC001032443683 678440625 /nfs/dbraw/zinc/44/06/25/678440625.db2.gz SKVZLSNQPVMPNP-UWVGGRQHSA-N -1 0 318.337 -0.165 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000888328595 678463270 /nfs/dbraw/zinc/46/32/70/678463270.db2.gz STAKIEVBSRZNCB-GXFFZTMASA-N -1 0 310.358 -0.083 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000888328597 678463752 /nfs/dbraw/zinc/46/37/52/678463752.db2.gz STAKIEVBSRZNCB-ZWNOBZJWSA-N -1 0 310.358 -0.083 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000888328168 678463822 /nfs/dbraw/zinc/46/38/22/678463822.db2.gz FQRGEYAZZFWKPX-UHFFFAOYSA-N -1 0 316.369 -0.140 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000888334184 678465587 /nfs/dbraw/zinc/46/55/87/678465587.db2.gz GQXXFJCKIRVCIR-JTQLQIEISA-N -1 0 304.358 -0.055 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(Cc2cccnc2)CC1 ZINC000888345526 678467987 /nfs/dbraw/zinc/46/79/87/678467987.db2.gz ZZTLOEVHLMCXHR-UHFFFAOYSA-N -1 0 316.369 -0.140 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@H]3C[C@H](C)CO3)C2)c1[O-] ZINC000997494989 678470153 /nfs/dbraw/zinc/47/01/53/678470153.db2.gz MJSOXXIIHQYPPO-OIBJUYFYSA-N -1 0 308.338 -0.211 20 0 DBADRM CCc1n[nH]cc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032493241 678472723 /nfs/dbraw/zinc/47/27/23/678472723.db2.gz QHDHRGPBHOAXJX-IUCAKERBSA-N -1 0 317.353 -0.105 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@@H]2C[C@H]1CN2C/C=C\Cl ZINC001032500479 678479229 /nfs/dbraw/zinc/47/92/29/678479229.db2.gz XIIGQZDILNRGLD-BNPBDYDZSA-N -1 0 311.729 -0.066 20 0 DBADRM O=C(N[C@H]1CCC[C@@H]1CNC(=O)c1ccnnc1)c1cn[nH]n1 ZINC000946251087 678484649 /nfs/dbraw/zinc/48/46/49/678484649.db2.gz ZYJCIUBGPZPQKJ-KOLCDFICSA-N -1 0 315.337 -0.077 20 0 DBADRM C[C@]1(C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C=CCC1 ZINC000997847942 678522346 /nfs/dbraw/zinc/52/23/46/678522346.db2.gz TVUZVXCDMYOVRR-AWEZNQCLSA-N -1 0 319.321 -0.420 20 0 DBADRM CC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000946409541 678531006 /nfs/dbraw/zinc/53/10/06/678531006.db2.gz ITNKZYUZFBESGQ-JQWIXIFHSA-N -1 0 322.365 -0.089 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCC[C@@H]2NC(=O)C(N)=O)c1[O-] ZINC000946428098 678535724 /nfs/dbraw/zinc/53/57/24/678535724.db2.gz NIGXEQWZPKJZNI-BDAKNGLRSA-N -1 0 323.353 -0.686 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCC[C@@H]2NC(=O)C(N)=O)c1[O-] ZINC000946428100 678535869 /nfs/dbraw/zinc/53/58/69/678535869.db2.gz NIGXEQWZPKJZNI-IUCAKERBSA-N -1 0 323.353 -0.686 20 0 DBADRM O=C(N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1)[C@@]1(F)CCOC1 ZINC001032586461 678543080 /nfs/dbraw/zinc/54/30/80/678543080.db2.gz WMIALWMWZKGIFA-MWODSPESSA-N -1 0 311.317 -0.576 20 0 DBADRM CC(C)(C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000997985618 678545698 /nfs/dbraw/zinc/54/56/98/678545698.db2.gz GGGHNELTWGBVRT-UHFFFAOYSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)Cc3ncc[nH]3)C2)c1[O-] ZINC000998382301 678593273 /nfs/dbraw/zinc/59/32/73/678593273.db2.gz HCKYONGHQPIVJP-UHFFFAOYSA-N -1 0 304.310 -0.670 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C/C=C/Cl)C1 ZINC001016109216 678602404 /nfs/dbraw/zinc/60/24/04/678602404.db2.gz BDEMXAUUWOBBBQ-LKVYWMSASA-N -1 0 301.734 -0.368 20 0 DBADRM O=C(NC1CN(C(=O)c2ccccc2O)C1)c1c[nH]c(=O)cn1 ZINC000998576417 678617351 /nfs/dbraw/zinc/61/73/51/678617351.db2.gz KPSCIZAXYWCAFH-UHFFFAOYSA-N -1 0 314.301 -0.270 20 0 DBADRM CCn1cc(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)nn1 ZINC000998783532 678646785 /nfs/dbraw/zinc/64/67/85/678646785.db2.gz IHEFSOIBOOFJAT-UHFFFAOYSA-N -1 0 319.325 -0.710 20 0 DBADRM CC(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC000998803802 678647524 /nfs/dbraw/zinc/64/75/24/678647524.db2.gz DXDZTFJAHXBBNF-VGMNWLOBSA-N -1 0 321.337 -0.200 20 0 DBADRM CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C2 ZINC000999099106 678673077 /nfs/dbraw/zinc/67/30/77/678673077.db2.gz MMWOTDZSFLXEAV-MIMYLULJSA-N -1 0 320.349 -0.242 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000999247340 678695161 /nfs/dbraw/zinc/69/51/61/678695161.db2.gz SVGXURWYSNCYDX-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3ccc(=O)[nH]c3)C2)c1[O-] ZINC000999557286 678723745 /nfs/dbraw/zinc/72/37/45/678723745.db2.gz FMKVAFIMXYXEHS-UHFFFAOYSA-N -1 0 317.305 -0.221 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@@H](NCc2cnon2)C1 ZINC000999620972 678731039 /nfs/dbraw/zinc/73/10/39/678731039.db2.gz PFRYVCIOJMZZPA-SSDOTTSWSA-N -1 0 321.297 -0.940 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000921686247 678735678 /nfs/dbraw/zinc/73/56/78/678735678.db2.gz HIJDXUGOQGWNMX-QMMMGPOBSA-N -1 0 300.336 -0.034 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc(Br)o1 ZINC000921687522 678751793 /nfs/dbraw/zinc/75/17/93/678751793.db2.gz GBGQYGLOSLFNOI-UHFFFAOYSA-N -1 0 313.129 -0.002 20 0 DBADRM CC(=O)NCc1cn([C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC000999937905 678767058 /nfs/dbraw/zinc/76/70/58/678767058.db2.gz KIAXKOWBKQUWQM-JTQLQIEISA-N -1 0 306.330 -0.815 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)C[C@H](OC)c1ccccc1 ZINC000921687941 678772212 /nfs/dbraw/zinc/77/22/12/678772212.db2.gz NEFYZWUWNWCMCS-NSHDSACASA-N -1 0 302.352 -0.029 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H]2C[C@H]1CN2C/C=C/Cl ZINC001032754747 678813272 /nfs/dbraw/zinc/81/32/72/678813272.db2.gz NUHOCOYOQRAKRG-XOINZRLQSA-N -1 0 313.745 -0.273 20 0 DBADRM CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001032755697 678814639 /nfs/dbraw/zinc/81/46/39/678814639.db2.gz IVXDJBOIMJUOFQ-GUBZILKMSA-N -1 0 311.342 -0.991 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)COC)C1 ZINC000772978734 678816818 /nfs/dbraw/zinc/81/68/18/678816818.db2.gz LZEIHWPDGUVXRC-ZJUUUORDSA-N -1 0 306.384 -0.274 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C ZINC000756278605 678823957 /nfs/dbraw/zinc/82/39/57/678823957.db2.gz USNHQBFANKBXEE-UHFFFAOYSA-N -1 0 303.340 -0.780 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@H]3CC[C@@H](C)O3)C2)c1[O-] ZINC001000306779 678831721 /nfs/dbraw/zinc/83/17/21/678831721.db2.gz GZNKLZLHUIQGSD-GMSGAONNSA-N -1 0 308.338 -0.068 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)c3ccnnc3)C2)c1[O-] ZINC001000465075 678843550 /nfs/dbraw/zinc/84/35/50/678843550.db2.gz CIEWLOYHRZYWGG-UHFFFAOYSA-N -1 0 302.294 -0.532 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCOC1 ZINC001000495687 678847166 /nfs/dbraw/zinc/84/71/66/678847166.db2.gz KUUROWYJWHVNLH-NSHDSACASA-N -1 0 307.354 -0.205 20 0 DBADRM Cn1[nH]c(C[NH2+][C@H]2CCCN(C(=O)c3nccs3)C2)nc1=O ZINC001000520664 678849690 /nfs/dbraw/zinc/84/96/90/678849690.db2.gz BFVDXRAGCRNGGP-VIFPVBQESA-N -1 0 322.394 -0.041 20 0 DBADRM O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001000524131 678850801 /nfs/dbraw/zinc/85/08/01/678850801.db2.gz DGXMZDCQZLOUKD-SNVBAGLBSA-N -1 0 320.353 -0.963 20 0 DBADRM CNC(=O)[C@H](C)N1CC=C(CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001000588491 678857371 /nfs/dbraw/zinc/85/73/71/678857371.db2.gz RBFBNRDORJWBNP-JTQLQIEISA-N -1 0 321.381 -0.080 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001000776029 678872946 /nfs/dbraw/zinc/87/29/46/678872946.db2.gz UEGOZQFGJQSKAI-XPUUQOCRSA-N -1 0 307.310 -0.873 20 0 DBADRM C[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001000784091 678873387 /nfs/dbraw/zinc/87/33/87/678873387.db2.gz QQNXCKXJNYUHHR-WCBMZHEXSA-N -1 0 320.349 -0.670 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)[C@@H]3COCCO3)C2)c1[O-] ZINC001000993326 678890655 /nfs/dbraw/zinc/89/06/55/678890655.db2.gz AIRHWERFRKNAID-JTQLQIEISA-N -1 0 324.337 -0.973 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3cnns3)C2)c1[O-] ZINC001001053333 678896800 /nfs/dbraw/zinc/89/68/00/678896800.db2.gz QKCYAGNFRFFVOL-UHFFFAOYSA-N -1 0 322.350 -0.223 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3cocn3)C2)c1[O-] ZINC001001189032 678914128 /nfs/dbraw/zinc/91/41/28/678914128.db2.gz LMUORPHMZQIIMC-UHFFFAOYSA-N -1 0 305.294 -0.086 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)CC(C)(C)O)C2)c1[O-] ZINC001001457309 678933410 /nfs/dbraw/zinc/93/34/10/678933410.db2.gz XQCRNCRXWOWVDD-UHFFFAOYSA-N -1 0 310.354 -0.227 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)[C@H]3CCOC3)C2)c1[O-] ZINC001001452418 678936553 /nfs/dbraw/zinc/93/65/53/678936553.db2.gz HKZFSQYLIIBMQO-JTQLQIEISA-N -1 0 308.338 -0.352 20 0 DBADRM Cn1cncc1C(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001001600138 678943569 /nfs/dbraw/zinc/94/35/69/678943569.db2.gz JWHWHAWEGRBZBF-UHFFFAOYSA-N -1 0 319.369 -0.114 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3ccn(C)n3)C2)c1[O-] ZINC001001998159 678965113 /nfs/dbraw/zinc/96/51/13/678965113.db2.gz CYTGMODKBQVPAT-UHFFFAOYSA-N -1 0 318.337 -0.341 20 0 DBADRM Cc1c[nH]c(C(=O)NCC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)n1 ZINC001002146785 678970812 /nfs/dbraw/zinc/97/08/12/678970812.db2.gz SYOUBLMEJNEECS-UHFFFAOYSA-N -1 0 318.337 -0.043 20 0 DBADRM Cn1nccc1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002440825 678982790 /nfs/dbraw/zinc/98/27/90/678982790.db2.gz MISXBBNCTRQLCT-UHFFFAOYSA-N -1 0 305.342 -0.362 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001002463774 678985187 /nfs/dbraw/zinc/98/51/87/678985187.db2.gz YDHXLPOHBYEASL-NXEZZACHSA-N -1 0 323.353 -0.600 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCNC(=O)C1 ZINC001002555165 678988768 /nfs/dbraw/zinc/98/87/68/678988768.db2.gz DRBGUHQDTMGYKT-SECBINFHSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CCN(Cc3ncnn3C)CC2)c1[O-] ZINC001002613982 678992294 /nfs/dbraw/zinc/99/22/94/678992294.db2.gz ALVXMPZXTAZMTB-UHFFFAOYSA-N -1 0 319.369 -0.053 20 0 DBADRM CCO[C@@H]1C[C@@H](NC(=O)NCC(=O)[N-]OC)[C@@]12CCCO2 ZINC000921960161 678994567 /nfs/dbraw/zinc/99/45/67/678994567.db2.gz MBQWTUPOVPYNES-BREBYQMCSA-N -1 0 301.343 -0.310 20 0 DBADRM Cn1oc(C(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cc1=O ZINC001002693111 678995857 /nfs/dbraw/zinc/99/58/57/678995857.db2.gz OWUCAGQHSZQHDO-UHFFFAOYSA-N -1 0 322.325 -0.804 20 0 DBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCCNC1=O ZINC001003070976 679021591 /nfs/dbraw/zinc/02/15/91/679021591.db2.gz HNEPBTLQNFOCBL-SNVBAGLBSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1nc[nH]c1C(=O)NCC1CN(C(=O)c2cnc[nH]c2=O)C1 ZINC001003149248 679026423 /nfs/dbraw/zinc/02/64/23/679026423.db2.gz JTZOVNDURYZNSP-UHFFFAOYSA-N -1 0 316.321 -0.284 20 0 DBADRM CC[C@@H](C)C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003393578 679037599 /nfs/dbraw/zinc/03/75/99/679037599.db2.gz MZJPPLBHRDWXBF-SSDOTTSWSA-N -1 0 309.326 -0.483 20 0 DBADRM O=C(NCC1CN(C(=O)C2CC=CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001003392645 679038120 /nfs/dbraw/zinc/03/81/20/679038120.db2.gz CENVHCACXDUAPQ-UHFFFAOYSA-N -1 0 319.321 -0.563 20 0 DBADRM CN1C(=O)CC[C@@H]1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003483865 679044005 /nfs/dbraw/zinc/04/40/05/679044005.db2.gz VJQDBIHNHFVRNB-SNVBAGLBSA-N -1 0 322.369 -0.788 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001003541428 679047666 /nfs/dbraw/zinc/04/76/66/679047666.db2.gz NRLIPGPYIKZVDM-PSASIEDQSA-N -1 0 320.349 -0.670 20 0 DBADRM Cc1ccn(CC(=O)NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001003645670 679055357 /nfs/dbraw/zinc/05/53/57/679055357.db2.gz GOJDDWPAOCNFJT-UHFFFAOYSA-N -1 0 319.369 -0.204 20 0 DBADRM CN(C(=O)Cn1cccn1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032904913 679077337 /nfs/dbraw/zinc/07/73/37/679077337.db2.gz JTIGJPXQGQWLCH-JTQLQIEISA-N -1 0 305.342 -0.560 20 0 DBADRM CN(C(=O)CN1CCCC1=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032906042 679078014 /nfs/dbraw/zinc/07/80/14/679078014.db2.gz QAMYBROLLATXQU-JTQLQIEISA-N -1 0 322.369 -0.835 20 0 DBADRM CN(C(=O)[C@H]1CCCOC1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032954960 679085508 /nfs/dbraw/zinc/08/55/08/679085508.db2.gz IFHMQDIFUDVSNX-QWRGUYRKSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C(=O)[C@H]1CCCOC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032954961 679085722 /nfs/dbraw/zinc/08/57/22/679085722.db2.gz IFHMQDIFUDVSNX-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C(=O)Cc1cc[nH]n1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032970081 679089746 /nfs/dbraw/zinc/08/97/46/679089746.db2.gz KKZAEALBTGAZOL-JTQLQIEISA-N -1 0 305.342 -0.491 20 0 DBADRM CN(C(=O)c1cn(C)cn1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033007345 679098322 /nfs/dbraw/zinc/09/83/22/679098322.db2.gz ZVRBSDJZQBAUHM-SECBINFHSA-N -1 0 305.342 -0.410 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN([C@@H]3CCCNC3=O)C2)c1[O-] ZINC001033013452 679099602 /nfs/dbraw/zinc/09/96/02/679099602.db2.gz FJZNJLSEZFPIRL-WDEREUQCSA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN([C@@H]3CCN(C)C3=O)C2)c1[O-] ZINC001033013488 679099854 /nfs/dbraw/zinc/09/98/54/679099854.db2.gz FVFNXKPWAQCSBJ-GHMZBOCLSA-N -1 0 321.381 -0.199 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN([C@H]3CCN(C)C3=O)C2)c1[O-] ZINC001033013492 679100006 /nfs/dbraw/zinc/10/00/06/679100006.db2.gz FVFNXKPWAQCSBJ-QWRGUYRKSA-N -1 0 321.381 -0.199 20 0 DBADRM CC(=O)NC1CCC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001004154676 679109727 /nfs/dbraw/zinc/10/97/27/679109727.db2.gz ARKLEVIHOVFCBX-UHFFFAOYSA-N -1 0 309.326 -0.198 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)C1SCCS1 ZINC000842323301 805590689 /nfs/dbraw/zinc/59/06/89/805590689.db2.gz JNPCTCPVBDUWDK-UHFFFAOYSA-N -1 0 315.438 -0.099 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)CCC(=O)OC)cn1 ZINC000842358450 805590859 /nfs/dbraw/zinc/59/08/59/805590859.db2.gz SHUMLYNCIFBCTJ-UHFFFAOYSA-N -1 0 317.323 -0.502 20 0 DBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)CC1=O ZINC000842331589 805591060 /nfs/dbraw/zinc/59/10/60/805591060.db2.gz GYHIHQXOLWEMBA-QWRGUYRKSA-N -1 0 318.395 -0.130 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCn1cc(Cl)cn1 ZINC000842358165 805591202 /nfs/dbraw/zinc/59/12/02/805591202.db2.gz CAOYIHBKFHPMDU-UHFFFAOYSA-N -1 0 323.758 -0.064 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)OC)C1 ZINC000842355601 805591242 /nfs/dbraw/zinc/59/12/42/805591242.db2.gz KGKUDDZIIYPMFL-BDAKNGLRSA-N -1 0 321.351 -0.415 20 0 DBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H](C)C(=O)[O-])CC1 ZINC000842523834 805592966 /nfs/dbraw/zinc/59/29/66/805592966.db2.gz ZZGSSHYIJNURJR-SNVBAGLBSA-N -1 0 321.399 -0.562 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccs2)S1(=O)=O ZINC000842672990 805595788 /nfs/dbraw/zinc/59/57/88/805595788.db2.gz BELNEODOVNNPMA-SSDOTTSWSA-N -1 0 324.405 -0.413 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@H]1CCc2ncncc2C1 ZINC000842716448 805598213 /nfs/dbraw/zinc/59/82/13/805598213.db2.gz OWJUSEFPOAOWBM-GXSJLCMTSA-N -1 0 311.363 -0.184 20 0 DBADRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000842717133 805598236 /nfs/dbraw/zinc/59/82/36/805598236.db2.gz RLLBKPPWACDJLA-VIFPVBQESA-N -1 0 312.413 -0.345 20 0 DBADRM COC1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1 ZINC000842718301 805598272 /nfs/dbraw/zinc/59/82/72/805598272.db2.gz LNRMKWXXXHGLAS-UHFFFAOYSA-N -1 0 324.358 -0.044 20 0 DBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)C2(F)CC2)s1 ZINC000842745030 805599236 /nfs/dbraw/zinc/59/92/36/805599236.db2.gz FCRRFFDGLHCNJI-UHFFFAOYSA-N -1 0 308.316 -0.197 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)C12CC(C(=O)OC)(C1)C2 ZINC000842749734 805599366 /nfs/dbraw/zinc/59/93/66/805599366.db2.gz RDZFFIQNOVRGRS-UHFFFAOYSA-N -1 0 319.335 -0.661 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000842771149 805600623 /nfs/dbraw/zinc/60/06/23/805600623.db2.gz FVFWULFFZNYKMV-IUCAKERBSA-N -1 0 309.322 -0.733 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cn(C2CCC2)nn1 ZINC000842797836 805601348 /nfs/dbraw/zinc/60/13/48/805601348.db2.gz LVSNTSXZUVLDIX-UHFFFAOYSA-N -1 0 316.339 -0.374 20 0 DBADRM CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC000842810768 805602804 /nfs/dbraw/zinc/60/28/04/805602804.db2.gz WWRWIDARGYUYKV-QMMMGPOBSA-N -1 0 310.397 -0.591 20 0 DBADRM O=C([N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1)C1(F)CC1 ZINC000842816193 805602868 /nfs/dbraw/zinc/60/28/68/805602868.db2.gz QMKWAAAZTTUDTO-UHFFFAOYSA-N -1 0 311.298 -0.031 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NC[C@H]1CSCCS1 ZINC000843256789 805613412 /nfs/dbraw/zinc/61/34/12/805613412.db2.gz HYCDIUSWBBOYGV-QMMMGPOBSA-N -1 0 306.409 -0.068 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)NC[C@@H]1CSCCS1 ZINC000843256726 805613600 /nfs/dbraw/zinc/61/36/00/805613600.db2.gz HYCDIUSWBBOYGV-MRVPVSSYSA-N -1 0 306.409 -0.068 20 0 DBADRM CC(C)OCCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000843257679 805613717 /nfs/dbraw/zinc/61/37/17/805613717.db2.gz SACUSPQQXLYSMR-UHFFFAOYSA-N -1 0 316.354 -0.475 20 0 DBADRM CC(=O)OCCCS(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000843304360 805616934 /nfs/dbraw/zinc/61/69/34/805616934.db2.gz FKFBIUBMIYRQQD-UHFFFAOYSA-N -1 0 323.367 -0.260 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C(=O)[O-] ZINC000843335935 805617782 /nfs/dbraw/zinc/61/77/82/805617782.db2.gz RTRZOIWUVDZLFF-RKDXNWHRSA-N -1 0 309.322 -0.733 20 0 DBADRM O=C([O-])COCC(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000843330950 805617979 /nfs/dbraw/zinc/61/79/79/805617979.db2.gz YKFIQXXNBXWYDG-SSDOTTSWSA-N -1 0 312.244 -0.243 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000843335142 805618083 /nfs/dbraw/zinc/61/80/83/805618083.db2.gz MGXLKWRYTWYLER-VHSXEESVSA-N -1 0 307.368 -0.383 20 0 DBADRM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)COCC(=O)[O-])C1 ZINC000843338344 805619646 /nfs/dbraw/zinc/61/96/46/805619646.db2.gz HQWBSNAVTJWLDA-SNVBAGLBSA-N -1 0 312.244 -0.385 20 0 DBADRM C/C=C(\C)C(=O)N1CCC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001296454797 805635812 /nfs/dbraw/zinc/63/58/12/805635812.db2.gz VXCZDRGBVFZOFU-RZCNENHTSA-N -1 0 323.353 -0.237 20 0 DBADRM CC(C)=CC(=O)NCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001296551289 805641137 /nfs/dbraw/zinc/64/11/37/805641137.db2.gz ZOGOXLTUSQUWDA-UHFFFAOYSA-N -1 0 321.337 -0.030 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)n1cncn1 ZINC000844158701 805649479 /nfs/dbraw/zinc/64/94/79/805649479.db2.gz WZKLNQNZDZYWHH-NXEZZACHSA-N -1 0 319.325 -0.008 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000844144589 805649652 /nfs/dbraw/zinc/64/96/52/805649652.db2.gz LOJXPFVGCIOICM-MRVPVSSYSA-N -1 0 308.356 -0.590 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000844245430 805654349 /nfs/dbraw/zinc/65/43/49/805654349.db2.gz JRTGEMHHLOIWII-SNVBAGLBSA-N -1 0 322.383 -0.879 20 0 DBADRM CCc1ccc(NC(=O)COCC(=O)[O-])cc1S(N)(=O)=O ZINC000844246565 805655262 /nfs/dbraw/zinc/65/52/62/805655262.db2.gz WVNDUSNOKXMLBY-UHFFFAOYSA-N -1 0 316.335 -0.064 20 0 DBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)COCC(=O)[O-])C1 ZINC000844247000 805655401 /nfs/dbraw/zinc/65/54/01/805655401.db2.gz FVFFMKGDUDOGNL-WDEREUQCSA-N -1 0 316.354 -0.523 20 0 DBADRM COc1ccc(OC)c([C@H](O)CNC(=O)COCC(=O)[O-])c1 ZINC000844251539 805655501 /nfs/dbraw/zinc/65/55/01/805655501.db2.gz QRLIGSZJACMQAM-LLVKDONJSA-N -1 0 313.306 -0.045 20 0 DBADRM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)COCC(=O)[O-])CC2 ZINC000844248531 805655521 /nfs/dbraw/zinc/65/55/21/805655521.db2.gz DJHYKMBFVWAAQM-WDEREUQCSA-N -1 0 301.339 -0.134 20 0 DBADRM COc1ccc(OC)c([C@@H](O)CNC(=O)COCC(=O)[O-])c1 ZINC000844251540 805655696 /nfs/dbraw/zinc/65/56/96/805655696.db2.gz QRLIGSZJACMQAM-NSHDSACASA-N -1 0 313.306 -0.045 20 0 DBADRM CCOC(=O)[C@H](NC(=O)COCC(=O)[O-])[C@H]1CCCOC1 ZINC000844255621 805656514 /nfs/dbraw/zinc/65/65/14/805656514.db2.gz WYBKUSYTCYJTJS-JOYOIKCWSA-N -1 0 303.311 -0.438 20 0 DBADRM CCO[C@H]1C[C@](NC(=O)COCC(=O)[O-])(C(=O)OC)C1(C)C ZINC000844255090 805656925 /nfs/dbraw/zinc/65/69/25/805656925.db2.gz LABWENSFSGISPM-XPTSAGLGSA-N -1 0 317.338 -0.049 20 0 DBADRM C/C(=C/C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC001297007244 805659837 /nfs/dbraw/zinc/65/98/37/805659837.db2.gz WDIYVUZQQFKOGW-YWEYNIOJSA-N -1 0 321.337 -0.627 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000844507547 805663108 /nfs/dbraw/zinc/66/31/08/805663108.db2.gz UFRXIVRZWZIBFE-UHFFFAOYSA-N -1 0 316.339 -0.326 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000844504027 805663166 /nfs/dbraw/zinc/66/31/66/805663166.db2.gz LMQLNLKRVGMWDZ-UHFFFAOYSA-N -1 0 310.310 -0.260 20 0 DBADRM CCO[N-]C(=O)CN1C(=O)[C@H]2C[C@H](C(=O)OC)CCN2C1=O ZINC000844737168 805669697 /nfs/dbraw/zinc/66/96/97/805669697.db2.gz BFNPEUAFSFZLHV-RKDXNWHRSA-N -1 0 313.310 -0.730 20 0 DBADRM Cc1c(C(=O)N(C)C)occ1S(=O)(=O)NC[C@@H](F)C(=O)[O-] ZINC000844799410 805671921 /nfs/dbraw/zinc/67/19/21/805671921.db2.gz QHQSORHYQPGIBV-SSDOTTSWSA-N -1 0 322.314 -0.009 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c[nH]1 ZINC000844899317 805674884 /nfs/dbraw/zinc/67/48/84/805674884.db2.gz AXWDMSOIILHVGE-QEYXHICPSA-N -1 0 304.349 -0.393 20 0 DBADRM C/C=C(/C)C(=O)NC[C@@H](CC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001297384291 805703544 /nfs/dbraw/zinc/70/35/44/805703544.db2.gz ZFBOIVODBQLCSO-USYJTPIQSA-N -1 0 311.342 -0.334 20 0 DBADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)Cn1cnc(C(N)=O)n1 ZINC000845469068 805705054 /nfs/dbraw/zinc/70/50/54/805705054.db2.gz UYWXELOPDHZJGE-MRVPVSSYSA-N -1 0 317.371 -0.741 20 0 DBADRM O=C(Cc1cn2c(n1)CCCC2)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000845471946 805705821 /nfs/dbraw/zinc/70/58/21/805705821.db2.gz ZRMMODYXVGFHMT-NSHDSACASA-N -1 0 313.379 -0.003 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1coc(S(C)(=O)=O)c1 ZINC000845487292 805705865 /nfs/dbraw/zinc/70/58/65/805705865.db2.gz MBYYELNZCWJYSW-UHFFFAOYSA-N -1 0 324.380 -0.001 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCC1(COC)CCOCC1 ZINC000845532299 805709373 /nfs/dbraw/zinc/70/93/73/805709373.db2.gz NOXZSPTZEAVQLL-UHFFFAOYSA-N -1 0 303.359 -0.204 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCC[C@H]1CS(C)(=O)=O ZINC000845530318 805709410 /nfs/dbraw/zinc/70/94/10/805709410.db2.gz KYEOMBAHAWVWAM-JTQLQIEISA-N -1 0 321.399 -0.337 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000845531829 805709914 /nfs/dbraw/zinc/70/99/14/805709914.db2.gz HXHKYWKQGWMHGY-DTORHVGOSA-N -1 0 307.372 -0.729 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000845531392 805710059 /nfs/dbraw/zinc/71/00/59/805710059.db2.gz AFOLEWXWJNITFT-NXEZZACHSA-N -1 0 301.343 -0.358 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000845536123 805710644 /nfs/dbraw/zinc/71/06/44/805710644.db2.gz NZAHAECCGTWHDA-VIFPVBQESA-N -1 0 300.359 -0.247 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCC(C)(C)S(C)(=O)=O ZINC000845534373 805710647 /nfs/dbraw/zinc/71/06/47/805710647.db2.gz MREMLRDNWNQPJO-UHFFFAOYSA-N -1 0 309.388 -0.433 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000845533736 805710842 /nfs/dbraw/zinc/71/08/42/805710842.db2.gz AGNSNCSBTNBKFJ-GXFFZTMASA-N -1 0 301.343 -0.357 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(c2nccnc2C)CC1 ZINC000845534146 805711043 /nfs/dbraw/zinc/71/10/43/805711043.db2.gz CEKGEVVUYLINEI-UHFFFAOYSA-N -1 0 322.369 -0.316 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000845533825 805711085 /nfs/dbraw/zinc/71/10/85/805711085.db2.gz WDDHJGNFMVPJNP-NSHDSACASA-N -1 0 312.370 -0.292 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC1(CO)Cc2ccccc2C1 ZINC000845536000 805711094 /nfs/dbraw/zinc/71/10/94/805711094.db2.gz PSVQMGZTVAUEPK-UHFFFAOYSA-N -1 0 307.350 -0.117 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@@H](CCO)C1CCOCC1 ZINC000845541373 805713077 /nfs/dbraw/zinc/71/30/77/805713077.db2.gz TVQOCLOEXKPPSQ-NSHDSACASA-N -1 0 303.359 -0.469 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(CC(C)C)C(=O)[C@H]1C ZINC000845536603 805712055 /nfs/dbraw/zinc/71/20/55/805712055.db2.gz BOWCPYSZLDJLQW-LLVKDONJSA-N -1 0 314.386 -0.048 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC000845538751 805712059 /nfs/dbraw/zinc/71/20/59/805712059.db2.gz YEFHEROJPCADER-JTQLQIEISA-N -1 0 313.358 -0.747 20 0 DBADRM CCNC(=O)C1(CNC(=O)NCC(=O)[N-]OCC)CCC1 ZINC000845538343 805712340 /nfs/dbraw/zinc/71/23/40/805712340.db2.gz MQTYHWMWSHUPBJ-UHFFFAOYSA-N -1 0 300.359 -0.340 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000845537425 805712356 /nfs/dbraw/zinc/71/23/56/805712356.db2.gz DVKOVTKTUKWADU-UHFFFAOYSA-N -1 0 316.402 -0.194 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H](CCO)C1CCOCC1 ZINC000845541372 805713234 /nfs/dbraw/zinc/71/32/34/805713234.db2.gz TVQOCLOEXKPPSQ-LLVKDONJSA-N -1 0 303.359 -0.469 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCC(=O)N1CCCCC1 ZINC000845542421 805713353 /nfs/dbraw/zinc/71/33/53/805713353.db2.gz XREPFBWNYXOYOI-UHFFFAOYSA-N -1 0 300.359 -0.244 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000845542359 805713470 /nfs/dbraw/zinc/71/34/70/805713470.db2.gz WMABFHSGNRGPPT-MNOVXSKESA-N -1 0 312.370 -0.246 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(CC(=O)NC)CC1 ZINC000845545584 805714092 /nfs/dbraw/zinc/71/40/92/805714092.db2.gz XRWNAORCBKHHMJ-UHFFFAOYSA-N -1 0 300.359 -0.388 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000845546884 805714241 /nfs/dbraw/zinc/71/42/41/805714241.db2.gz FSZAOTKQNFEORQ-GHMZBOCLSA-N -1 0 302.375 -0.538 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@H](C)CN1CCOCC1 ZINC000845546779 805714268 /nfs/dbraw/zinc/71/42/68/805714268.db2.gz NRALJFUQHNHHML-NSHDSACASA-N -1 0 302.375 -0.678 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000845547724 805714371 /nfs/dbraw/zinc/71/43/71/805714371.db2.gz VYGBGPDSPHDBSR-UHFFFAOYSA-N -1 0 324.385 -0.685 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000845547382 805714455 /nfs/dbraw/zinc/71/44/55/805714455.db2.gz OAISHVQHULZVPH-UHFFFAOYSA-N -1 0 314.386 -0.046 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCn1c2ccccc2oc1=O ZINC000845548150 805714574 /nfs/dbraw/zinc/71/45/74/805714574.db2.gz YODFAISGHQJXPX-UHFFFAOYSA-N -1 0 322.321 -0.039 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000845545297 805714618 /nfs/dbraw/zinc/71/46/18/805714618.db2.gz PNNRSGSHOHBODF-UWVGGRQHSA-N -1 0 321.399 -0.291 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCCOC[C@H]1CCCO1 ZINC000845552271 805715391 /nfs/dbraw/zinc/71/53/91/805715391.db2.gz KQTCYNZLHRMEPO-LLVKDONJSA-N -1 0 303.359 -0.061 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000845553718 805715679 /nfs/dbraw/zinc/71/56/79/805715679.db2.gz VZRSWUUDTPDXSX-UHFFFAOYSA-N -1 0 321.381 -0.024 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000845552018 805715786 /nfs/dbraw/zinc/71/57/86/805715786.db2.gz ADWUSICEADSIAK-LBPRGKRZSA-N -1 0 314.386 -0.440 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCN(C(=O)OCC)CC1 ZINC000845552287 805715819 /nfs/dbraw/zinc/71/58/19/805715819.db2.gz BXNXRGMQBGJKSV-UHFFFAOYSA-N -1 0 302.331 -0.462 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCC(C2OCCO2)CC1 ZINC000845548977 805716046 /nfs/dbraw/zinc/71/60/46/805716046.db2.gz RDWDDYCGVUJDSH-UHFFFAOYSA-N -1 0 301.343 -0.151 20 0 DBADRM CC1(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC000845568473 805719173 /nfs/dbraw/zinc/71/91/73/805719173.db2.gz ALNIDFNNWKMEKG-UHFFFAOYSA-N -1 0 314.367 -0.620 20 0 DBADRM CCO[N-]C(=O)CNc1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000845714319 805723755 /nfs/dbraw/zinc/72/37/55/805723755.db2.gz TZDWUDUYUPFLCY-UHFFFAOYSA-N -1 0 308.342 -0.765 20 0 DBADRM COCCO[N-]C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC000845719206 805724781 /nfs/dbraw/zinc/72/47/81/805724781.db2.gz SBJBVQBDMPQVKM-NSHDSACASA-N -1 0 300.286 -0.389 20 0 DBADRM COc1cccc(S([O-])=CC(=O)NCCn2cnnn2)c1 ZINC000845794603 805726442 /nfs/dbraw/zinc/72/64/42/805726442.db2.gz SALCGEIDYDENOY-OAQYLSRUSA-N -1 0 309.351 -0.394 20 0 DBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1cncc(OC)n1 ZINC000845970780 805737516 /nfs/dbraw/zinc/73/75/16/805737516.db2.gz TZGOBHAVEJVGEK-UHFFFAOYSA-N -1 0 312.282 -0.575 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000846002896 805739896 /nfs/dbraw/zinc/73/98/96/805739896.db2.gz OKKRWEHDAYTCDQ-UHFFFAOYSA-N -1 0 312.298 -0.506 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1csnc1C(=O)OC ZINC000846003535 805740111 /nfs/dbraw/zinc/74/01/11/805740111.db2.gz GABJHLXYOWXICB-UHFFFAOYSA-N -1 0 323.352 -0.724 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cncc(C(=O)OC)c1 ZINC000846003389 805740159 /nfs/dbraw/zinc/74/01/59/805740159.db2.gz XDIPFTOPNDCZAO-UHFFFAOYSA-N -1 0 317.323 -0.786 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccccc1C(=O)OC ZINC000846001982 805740228 /nfs/dbraw/zinc/74/02/28/805740228.db2.gz NOCRNOATXWKUDF-UHFFFAOYSA-N -1 0 316.335 -0.181 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)C1(CC(=O)OCC)CC1 ZINC000846003591 805740331 /nfs/dbraw/zinc/74/03/31/805740331.db2.gz ZPTHYYACQKXNOB-UHFFFAOYSA-N -1 0 308.356 -0.541 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(Cl)n1 ZINC000846133070 805745045 /nfs/dbraw/zinc/74/50/45/805745045.db2.gz UXQPQPRFTIPLTG-UHFFFAOYSA-N -1 0 300.702 -0.143 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(Cl)cn1 ZINC000846132836 805745104 /nfs/dbraw/zinc/74/51/04/805745104.db2.gz DVICCVCYXHSPKV-UHFFFAOYSA-N -1 0 300.702 -0.143 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000846133208 805745309 /nfs/dbraw/zinc/74/53/09/805745309.db2.gz XHTBSUVWZLLBLV-UHFFFAOYSA-N -1 0 311.342 -0.334 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C)nc1N(C)C ZINC000846133828 805746564 /nfs/dbraw/zinc/74/65/64/805746564.db2.gz ZAUNJEYOHIERIH-UHFFFAOYSA-N -1 0 323.353 -0.422 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1nn(C)cc1Br ZINC000846490785 805756913 /nfs/dbraw/zinc/75/69/13/805756913.db2.gz LHGBGYYOHAJRSZ-UHFFFAOYSA-N -1 0 305.132 -0.020 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000846491764 805757117 /nfs/dbraw/zinc/75/71/17/805757117.db2.gz TWXFWOJIFKABNI-AOOOYVTPSA-N -1 0 309.322 -0.879 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cccc(S(N)(=O)=O)c1C ZINC000846493496 805757125 /nfs/dbraw/zinc/75/71/25/805757125.db2.gz IBHQNFJAELKHAT-UHFFFAOYSA-N -1 0 315.351 -0.560 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(-n2nnnc2C)cc1F ZINC000846489762 805757273 /nfs/dbraw/zinc/75/72/73/805757273.db2.gz CZFMPLCDHQYUSY-UHFFFAOYSA-N -1 0 322.300 -0.093 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000846496771 805758073 /nfs/dbraw/zinc/75/80/73/805758073.db2.gz IBODDNSAQMPUAP-UHFFFAOYSA-N -1 0 318.333 -0.076 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000846497360 805758109 /nfs/dbraw/zinc/75/81/09/805758109.db2.gz BACASGLCIMSLGI-UHFFFAOYSA-N -1 0 315.351 -0.144 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cncc(N2CCOCC2)c1 ZINC000846494158 805758539 /nfs/dbraw/zinc/75/85/39/805758539.db2.gz PLDCBWARLKLFBD-UHFFFAOYSA-N -1 0 308.338 -0.284 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CNC(=O)c1ccc(OCC)cc1 ZINC000846498586 805759033 /nfs/dbraw/zinc/75/90/33/805759033.db2.gz CQFUHMJTUIZOJZ-UHFFFAOYSA-N -1 0 323.349 -0.001 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000846498079 805759600 /nfs/dbraw/zinc/75/96/00/805759600.db2.gz HWBDWECEUJPYTC-UHFFFAOYSA-N -1 0 314.342 -0.719 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cc(N2CCOCC2)ccn1 ZINC000846499326 805759681 /nfs/dbraw/zinc/75/96/81/805759681.db2.gz PASVOJRNBQZQNG-UHFFFAOYSA-N -1 0 308.338 -0.284 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)c2cn(C)c(=O)n(C)c2=O)[n-]1 ZINC000846651788 805767578 /nfs/dbraw/zinc/76/75/78/805767578.db2.gz ZRKQCKLBLKHBGA-UHFFFAOYSA-N -1 0 321.293 -0.764 20 0 DBADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000846702281 805771915 /nfs/dbraw/zinc/77/19/15/805771915.db2.gz DRLIMKVHTIXEQA-SNVBAGLBSA-N -1 0 310.331 -0.034 20 0 DBADRM C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000846759272 805775751 /nfs/dbraw/zinc/77/57/51/805775751.db2.gz QJYFJZMMENMRDT-WEDXCCLWSA-N -1 0 300.311 -0.036 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC000846701882 805772692 /nfs/dbraw/zinc/77/26/92/805772692.db2.gz FFLNZSKIYVKSHK-AWEZNQCLSA-N -1 0 308.338 -0.296 20 0 DBADRM O=C([O-])C[C@@H]1CCCCN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC000846713207 805772708 /nfs/dbraw/zinc/77/27/08/805772708.db2.gz OYZCGUJVSXJJPJ-JTQLQIEISA-N -1 0 309.322 -0.218 20 0 DBADRM CC(C)(C)n1nnc(CNC(=O)N2CCOC[C@H]2C(=O)[O-])n1 ZINC000846790962 805776023 /nfs/dbraw/zinc/77/60/23/805776023.db2.gz ATOXIINPCAEKMC-QMMMGPOBSA-N -1 0 312.330 -0.577 20 0 DBADRM Cc1n[nH]c(C(=O)NCC=CCNC(=O)[C@@H]2CCOC2)c1[O-] ZINC001298296403 805780950 /nfs/dbraw/zinc/78/09/50/805780950.db2.gz UTBSEOXZKRWOMA-MXQLGCADSA-N -1 0 308.338 -0.138 20 0 DBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c(=O)n1C ZINC000847619281 805809872 /nfs/dbraw/zinc/80/98/72/805809872.db2.gz XWANMOZIRDLRSM-UHFFFAOYSA-N -1 0 324.362 -0.296 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc(N(C)C)cn1 ZINC000847681314 805811997 /nfs/dbraw/zinc/81/19/97/805811997.db2.gz XGXJKJOIAVDQAI-SSDOTTSWSA-N -1 0 316.339 -0.836 20 0 DBADRM CC(C)(C)n1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)n1 ZINC000847651434 805810907 /nfs/dbraw/zinc/81/09/07/805810907.db2.gz LBUKMCCHXQNZGB-UHFFFAOYSA-N -1 0 316.383 -0.055 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cnc(N(C)C)cn1 ZINC000847709269 805813841 /nfs/dbraw/zinc/81/38/41/805813841.db2.gz TXZZOVGXMVIJCM-UHFFFAOYSA-N -1 0 316.339 -0.835 20 0 DBADRM CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)O1 ZINC000847995849 805818695 /nfs/dbraw/zinc/81/86/95/805818695.db2.gz HURWXEHJKQUYMW-SVRRBLITSA-N -1 0 317.323 -0.464 20 0 DBADRM CN(C)c1cnc(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)cn1 ZINC000847847898 805816574 /nfs/dbraw/zinc/81/65/74/805816574.db2.gz BVNYEDZCHSJTRF-UHFFFAOYSA-N -1 0 324.366 -0.464 20 0 DBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000847846205 805816816 /nfs/dbraw/zinc/81/68/16/805816816.db2.gz IBJCZFMIVVUUHM-JTQLQIEISA-N -1 0 319.383 -0.192 20 0 DBADRM Cc1nn(C(C)C)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000847886926 805817260 /nfs/dbraw/zinc/81/72/60/805817260.db2.gz UDNPBPUHGKUFFL-UHFFFAOYSA-N -1 0 316.383 -0.032 20 0 DBADRM COc1cc(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)nn1C ZINC000847849199 805817653 /nfs/dbraw/zinc/81/76/53/805817653.db2.gz VKTCIDARMGGJCH-UHFFFAOYSA-N -1 0 313.339 -0.578 20 0 DBADRM CS[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996606 805818790 /nfs/dbraw/zinc/81/87/90/805818790.db2.gz NOQSRWHGKMXAIX-RXMQYKEDSA-N -1 0 307.353 -0.280 20 0 DBADRM O=C(O[C@H]1CNOC1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000848058173 805823405 /nfs/dbraw/zinc/82/34/05/805823405.db2.gz NPRLQSIQYRWFQE-JTQLQIEISA-N -1 0 321.264 -0.066 20 0 DBADRM Cn1c(C(=O)Nn2c(=O)[n-][nH]c2=O)cc(=O)c2ccccc21 ZINC001298668422 805823872 /nfs/dbraw/zinc/82/38/72/805823872.db2.gz RXQXTPJEXPAWNP-UHFFFAOYSA-N -1 0 301.262 -0.075 20 0 DBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CCCCO1 ZINC000847997803 805819073 /nfs/dbraw/zinc/81/90/73/805819073.db2.gz AMOOUZKOTNSECW-NSHDSACASA-N -1 0 317.323 -0.462 20 0 DBADRM CC(C)CO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996330 805819337 /nfs/dbraw/zinc/81/93/37/805819337.db2.gz KBRFTWVAWFVQCR-SSDOTTSWSA-N -1 0 319.339 -0.361 20 0 DBADRM CC[C@H](C)[C@H](OC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998161 805819593 /nfs/dbraw/zinc/81/95/93/805819593.db2.gz NLBFPXPYOZJRSK-RCOVLWMOSA-N -1 0 319.339 -0.361 20 0 DBADRM CC[C@@](C)(OC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847997860 805819800 /nfs/dbraw/zinc/81/98/00/805819800.db2.gz CUFMNDZCIKHDRJ-SNVBAGLBSA-N -1 0 305.312 -0.607 20 0 DBADRM CC[C@H](C)[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998159 805819920 /nfs/dbraw/zinc/81/99/20/805819920.db2.gz NLBFPXPYOZJRSK-IMTBSYHQSA-N -1 0 319.339 -0.361 20 0 DBADRM COC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998113 805819967 /nfs/dbraw/zinc/81/99/67/805819967.db2.gz LDNWAFKEAWZXHE-RQJHMYQMSA-N -1 0 319.339 -0.503 20 0 DBADRM CC(C)(CO)[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC000848252337 805832167 /nfs/dbraw/zinc/83/21/67/805832167.db2.gz XPKXDAHXACSWBD-LBPRGKRZSA-N -1 0 319.365 -0.016 20 0 DBADRM CC(C)[C@@H](CNC(=O)NCCOCCS(C)(=O)=O)C(=O)[O-] ZINC000848579452 805840722 /nfs/dbraw/zinc/84/07/22/805840722.db2.gz CSIHTPDEDYWLJP-SNVBAGLBSA-N -1 0 324.399 -0.296 20 0 DBADRM COC(=O)N1CCC[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000848607966 805842650 /nfs/dbraw/zinc/84/26/50/805842650.db2.gz MYPWAXDPIWGGTK-DTWKUNHWSA-N -1 0 315.326 -0.830 20 0 DBADRM CON(CC1CCOCC1)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000848611595 805842790 /nfs/dbraw/zinc/84/27/90/805842790.db2.gz XEQMNXLBMJGRMT-SECBINFHSA-N -1 0 302.327 -0.360 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1)C(=O)[O-] ZINC000848612257 805843124 /nfs/dbraw/zinc/84/31/24/805843124.db2.gz YMHKUCDEXBSSTP-SCSAIBSYSA-N -1 0 323.231 -0.723 20 0 DBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCOC[C@@H](C)C1)C(=O)[O-] ZINC000848610479 805843546 /nfs/dbraw/zinc/84/35/46/805843546.db2.gz UWUFDTRPVXHNFW-WDEREUQCSA-N -1 0 300.355 -0.046 20 0 DBADRM C[C@H](CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1(C)OCCO1 ZINC000848612006 805843595 /nfs/dbraw/zinc/84/35/95/805843595.db2.gz UZEFRSVMMODJBE-UWVGGRQHSA-N -1 0 316.354 -0.271 20 0 DBADRM O=C([O-])C[C@]1(NC(=O)[C@H]2CCCS2(=O)=O)CCCOC1 ZINC000848876896 805851456 /nfs/dbraw/zinc/85/14/56/805851456.db2.gz OZALOBSIXBOUPZ-BXKDBHETSA-N -1 0 305.352 -0.296 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848938498 805852616 /nfs/dbraw/zinc/85/26/16/805852616.db2.gz GCYGUYKCFMRMDO-UTUOFQBUSA-N -1 0 317.386 -0.706 20 0 DBADRM O=C([O-])[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]nc2Cl)C1 ZINC000849218649 805859986 /nfs/dbraw/zinc/85/99/86/805859986.db2.gz DWBOWDCHQXGJGP-HTRCEHHLSA-N -1 0 323.758 -0.091 20 0 DBADRM COC1CCN(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])CC1 ZINC000849218530 805860352 /nfs/dbraw/zinc/86/03/52/805860352.db2.gz YMVOUWYIRYLTQZ-JTQLQIEISA-N -1 0 322.383 -0.483 20 0 DBADRM C[C@@H](CC(F)(F)F)CS(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000849217799 805860374 /nfs/dbraw/zinc/86/03/74/805860374.db2.gz JDKXRZSUSDNGRL-LURJTMIESA-N -1 0 320.289 -0.305 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)C[C@@H]1CCCOC1)C2 ZINC000849232461 805860841 /nfs/dbraw/zinc/86/08/41/805860841.db2.gz NFPAVYAXVIGDDO-NQBHXWOUSA-N -1 0 319.379 -0.224 20 0 DBADRM O=C([O-])CN(C(=O)NC[C@H]1COCCO1)C1CCOCC1 ZINC000849236459 805861105 /nfs/dbraw/zinc/86/11/05/805861105.db2.gz HNGGNDRCXZYZAF-NSHDSACASA-N -1 0 302.327 -0.323 20 0 DBADRM CCNC(=O)CC(=O)N(C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001299342140 805878580 /nfs/dbraw/zinc/87/85/80/805878580.db2.gz LDULRNHOLJIETA-UHFFFAOYSA-N -1 0 323.353 -0.767 20 0 DBADRM O=C(COC(=O)C1(n2cnnn2)CC1)[N-]OCc1ccccc1 ZINC000849993936 805882867 /nfs/dbraw/zinc/88/28/67/805882867.db2.gz NGCFEHYQUNMBNY-UHFFFAOYSA-N -1 0 317.305 -0.047 20 0 DBADRM CC1(CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])OCCCO1 ZINC000850787011 805902055 /nfs/dbraw/zinc/90/20/55/805902055.db2.gz JRVFKJSZEBDTRX-UHFFFAOYSA-N -1 0 323.305 -0.012 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)N1CCCCC1)[C@@H]1CCOC1 ZINC000850788728 805902582 /nfs/dbraw/zinc/90/25/82/805902582.db2.gz FXESCRFGQWTDCK-GHMZBOCLSA-N -1 0 306.384 -0.115 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cnc2n1CCOC2 ZINC000850833882 805904717 /nfs/dbraw/zinc/90/47/17/805904717.db2.gz STILRAROOUIBPE-UHFFFAOYSA-N -1 0 303.340 -0.491 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CN1CCN(C2CC2)C1=O ZINC000850843826 805904888 /nfs/dbraw/zinc/90/48/88/805904888.db2.gz PSTPDDAJIHJJFD-VIFPVBQESA-N -1 0 319.383 -0.633 20 0 DBADRM C[C@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)[C@H]1CCCO1 ZINC000850862807 805905285 /nfs/dbraw/zinc/90/52/85/805905285.db2.gz WIBHNGCNQNCOPR-GHMZBOCLSA-N -1 0 306.384 -0.115 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)CN1CCN(C2CC2)C1=O ZINC000850861791 805905367 /nfs/dbraw/zinc/90/53/67/805905367.db2.gz DJBSDXBDJYGHKC-UHFFFAOYSA-N -1 0 304.372 -0.801 20 0 DBADRM CSCC[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)c1nnn[n-]1 ZINC001301160783 805905531 /nfs/dbraw/zinc/90/55/31/805905531.db2.gz IHHVWICYRGLLGG-BQBZGAKWSA-N -1 0 312.355 -0.837 20 0 DBADRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000850861989 805905913 /nfs/dbraw/zinc/90/59/13/805905913.db2.gz IBKLNYDXXFUTJU-NXEZZACHSA-N -1 0 306.384 -0.117 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)C1CCCC1 ZINC000850972221 805909639 /nfs/dbraw/zinc/90/96/39/805909639.db2.gz OSYRJBXDKKOEJD-SNVBAGLBSA-N -1 0 302.356 -0.175 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cnc2n1CCC2 ZINC000850897502 805906561 /nfs/dbraw/zinc/90/65/61/805906561.db2.gz PUPPAPMHBRHUBY-UHFFFAOYSA-N -1 0 317.367 -0.448 20 0 DBADRM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)[C@H]1CCCNC1=O ZINC001301648268 805906566 /nfs/dbraw/zinc/90/65/66/805906566.db2.gz AHJZUVKJHKZADA-QWRGUYRKSA-N -1 0 300.322 -0.069 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1c(Cl)cnn1C ZINC000850889201 805907254 /nfs/dbraw/zinc/90/72/54/805907254.db2.gz UNGGFSYDBRWYNH-UHFFFAOYSA-N -1 0 310.763 -0.374 20 0 DBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)c2cnccn2)n1 ZINC000850889865 805907410 /nfs/dbraw/zinc/90/74/10/805907410.db2.gz PADLLXHXRWHVBR-UHFFFAOYSA-N -1 0 311.327 -0.663 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1)[C@H]1CCOC1 ZINC000850936901 805908046 /nfs/dbraw/zinc/90/80/46/805908046.db2.gz LNLFGDGIXOVANX-AXFHLTTASA-N -1 0 307.368 -0.337 20 0 DBADRM CCOC(=O)NCCCC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001302136198 805908206 /nfs/dbraw/zinc/90/82/06/805908206.db2.gz BZPKNRWAOZBOJW-SECBINFHSA-N -1 0 312.330 -0.374 20 0 DBADRM CCCn1nccc1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000850942084 805908249 /nfs/dbraw/zinc/90/82/49/805908249.db2.gz CIPDKVGXSFCZAY-MRVPVSSYSA-N -1 0 303.340 -0.086 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccn2nnnc2c1 ZINC000850935181 805908341 /nfs/dbraw/zinc/90/83/41/805908341.db2.gz DVRITNIKTYHRMC-VIFPVBQESA-N -1 0 311.323 -0.637 20 0 DBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1cnc2n1CCOC2 ZINC000850934425 805908484 /nfs/dbraw/zinc/90/84/84/805908484.db2.gz UXZBQQVIFPULAZ-SECBINFHSA-N -1 0 315.351 -0.348 20 0 DBADRM CO[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1)[C@@H]1CCOC1 ZINC000850934700 805908508 /nfs/dbraw/zinc/90/85/08/805908508.db2.gz YXPDVWJFNPUENU-MXWKQRLJSA-N -1 0 307.368 -0.337 20 0 DBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850959694 805909438 /nfs/dbraw/zinc/90/94/38/805909438.db2.gz YKSUKLPHBXTJGE-RXKWGBCNSA-N -1 0 305.352 -0.478 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1c(Cl)cnn1C ZINC000850944051 805909562 /nfs/dbraw/zinc/90/95/62/805909562.db2.gz YGQHIKGWJCETMH-RXMQYKEDSA-N -1 0 309.731 -0.305 20 0 DBADRM O=C(NC1CC1)C1(C(=O)N2CCC(c3nnn[n-]3)CC2)CC1 ZINC001302753384 805910275 /nfs/dbraw/zinc/91/02/75/805910275.db2.gz PJDASVSGQNRFQU-UHFFFAOYSA-N -1 0 304.354 -0.036 20 0 DBADRM COCCCOCCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000851025452 805911459 /nfs/dbraw/zinc/91/14/59/805911459.db2.gz HWWMSBGGNUPPAH-UHFFFAOYSA-N -1 0 319.383 -0.023 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H](OC)[C@@H]1CCOC1 ZINC000851021622 805911995 /nfs/dbraw/zinc/91/19/95/805911995.db2.gz LNHGGIPMYBUGFV-PSASIEDQSA-N -1 0 309.340 -0.953 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCC2(C)C)CC1 ZINC000851041981 805912016 /nfs/dbraw/zinc/91/20/16/805912016.db2.gz UXEMWELSSQEQHD-LLVKDONJSA-N -1 0 317.411 -0.052 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCC2(C)C)CC1 ZINC000851041982 805912152 /nfs/dbraw/zinc/91/21/52/805912152.db2.gz UXEMWELSSQEQHD-NSHDSACASA-N -1 0 317.411 -0.052 20 0 DBADRM Cn1cccc1S(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000851082272 805913533 /nfs/dbraw/zinc/91/35/33/805913533.db2.gz CMFALFWCSOURHA-UHFFFAOYSA-N -1 0 312.355 -0.115 20 0 DBADRM CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1 ZINC000851135037 805914411 /nfs/dbraw/zinc/91/44/11/805914411.db2.gz BBDZBRSZXNEZKU-VXGBXAGGSA-N -1 0 318.395 -0.132 20 0 DBADRM NC(=O)COc1cccc(C(=O)[N-]S(=O)(=O)CC(F)F)c1 ZINC000851359349 805914848 /nfs/dbraw/zinc/91/48/48/805914848.db2.gz JGVVXRRPRICFFD-UHFFFAOYSA-N -1 0 322.289 -0.125 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)Cc1cc(OC)ns1 ZINC000851434027 805917072 /nfs/dbraw/zinc/91/70/72/805917072.db2.gz GFKVIKGRDFFMEB-UHFFFAOYSA-N -1 0 323.352 -0.546 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cc1cn(C)nc1C ZINC000851502158 805918498 /nfs/dbraw/zinc/91/84/98/805918498.db2.gz BZZSNCXIBPDENJ-UHFFFAOYSA-N -1 0 319.383 -0.622 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCc1ncccn1 ZINC000851502130 805918796 /nfs/dbraw/zinc/91/87/96/805918796.db2.gz AYKUCVFKDQPMOY-UHFFFAOYSA-N -1 0 317.367 -0.483 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cc1cncs1 ZINC000851502916 805918813 /nfs/dbraw/zinc/91/88/13/805918813.db2.gz YIKPKTNURMUFLI-UHFFFAOYSA-N -1 0 308.381 -0.207 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H](C)c1ccnn1C ZINC000851503228 805918852 /nfs/dbraw/zinc/91/88/52/805918852.db2.gz ARBHZAWWWOSDHM-SECBINFHSA-N -1 0 319.383 -0.369 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)/C=C\[C@@H]1CCOC1 ZINC000851502187 805918920 /nfs/dbraw/zinc/91/89/20/805918920.db2.gz CXXXCKNECPWYDH-UMBAGQNISA-N -1 0 307.368 -0.314 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CC[C@H]1CCOC1 ZINC000851501263 805918958 /nfs/dbraw/zinc/91/89/58/805918958.db2.gz OQSWSLHOMJYGKO-JTQLQIEISA-N -1 0 309.384 -0.090 20 0 DBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1OC ZINC000851504960 805919279 /nfs/dbraw/zinc/91/92/79/805919279.db2.gz NQTWGHSDUVHIJV-UHFFFAOYSA-N -1 0 320.298 -0.005 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1C ZINC000851503981 805919516 /nfs/dbraw/zinc/91/95/16/805919516.db2.gz NTNCZSYLNAMXFZ-UHFFFAOYSA-N -1 0 319.383 -0.622 20 0 DBADRM O=C([O-])C[C@H](NC(=O)CC1(n2cnnn2)CCOCC1)C1CC1 ZINC000851598324 805920280 /nfs/dbraw/zinc/92/02/80/805920280.db2.gz QWDPZFNURMGUKT-NSHDSACASA-N -1 0 323.353 -0.062 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C1(n2cnnn2)CCOCC1 ZINC000851605831 805920799 /nfs/dbraw/zinc/92/07/99/805920799.db2.gz GKHAWQGJSVFAHH-UWVGGRQHSA-N -1 0 309.326 -0.500 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NC[C@H]1COCCO1)C2 ZINC000851649828 805921887 /nfs/dbraw/zinc/92/18/87/805921887.db2.gz VAUZVKCHJFMVQI-GBIKHYSHSA-N -1 0 300.311 -0.856 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NC[C@@H]1COCCO1)C2 ZINC000851649829 805922177 /nfs/dbraw/zinc/92/21/77/805922177.db2.gz VAUZVKCHJFMVQI-GIPNMCIBSA-N -1 0 300.311 -0.856 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCc2nc(C3CC3)no2)CCC1 ZINC000851681715 805924329 /nfs/dbraw/zinc/92/43/29/805924329.db2.gz QZVFREDQYHBNQC-UHFFFAOYSA-N -1 0 322.321 -0.066 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000851680434 805924608 /nfs/dbraw/zinc/92/46/08/805924608.db2.gz ICBTWTICYJYCKM-UYUMYWFVSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@H](CNC(=O)C(=O)NC[C@]12OCCC[C@H]1C2(F)F)C(=O)[O-] ZINC000851684191 805925810 /nfs/dbraw/zinc/92/58/10/805925810.db2.gz YSJWDTPRBBAHOK-RWYTXXIDSA-N -1 0 320.292 -0.246 20 0 DBADRM COC(=O)c1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)n1C ZINC001306661524 805925992 /nfs/dbraw/zinc/92/59/92/805925992.db2.gz URQDRPGIJYOEBQ-UHFFFAOYSA-N -1 0 307.310 -0.002 20 0 DBADRM CO[N-]C(=O)CNC(=O)C[C@](O)(c1nccn1C)C(F)(F)F ZINC001306902840 805927709 /nfs/dbraw/zinc/92/77/09/805927709.db2.gz SVQSYQGMYKSUTM-JTQLQIEISA-N -1 0 324.259 -0.646 20 0 DBADRM O=C([O-])[C@@H]1CC(C(=O)N[C@H]2CCNC2=O)=NN1c1ccccc1 ZINC000851695650 805929897 /nfs/dbraw/zinc/92/98/97/805929897.db2.gz HNCYTHDJPMOBNK-JQWIXIFHSA-N -1 0 316.317 -0.289 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)[C@H]1CCCOC1 ZINC000885750225 807104050 /nfs/dbraw/zinc/10/40/50/807104050.db2.gz LYIWHXCKTNGRBQ-UWVGGRQHSA-N -1 0 314.429 -0.010 20 0 DBADRM CNC(=O)c1ccc(CS(=O)(=O)NCC(=O)[N-]OC)cc1 ZINC001309916125 805942215 /nfs/dbraw/zinc/94/22/15/805942215.db2.gz KFMWHYRRGDIIFA-UHFFFAOYSA-N -1 0 315.351 -0.857 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)C[C@@]1(OC(C)C)CCOC1 ZINC000851799426 805938002 /nfs/dbraw/zinc/93/80/02/805938002.db2.gz AHXCYJFDVIUOQP-GFCCVEGCSA-N -1 0 324.399 -0.442 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC[C@H](O)COc1cccc(F)c1 ZINC001313361191 805960807 /nfs/dbraw/zinc/96/08/07/805960807.db2.gz JUECKCXZCHSORB-JTQLQIEISA-N -1 0 315.301 -0.458 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC000852399628 805962874 /nfs/dbraw/zinc/96/28/74/805962874.db2.gz ORFBPQUYFUTUNR-QJPTWQEYSA-N -1 0 317.386 -0.081 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O ZINC000852399540 805963225 /nfs/dbraw/zinc/96/32/25/805963225.db2.gz LSDYZENTZIQRTD-NSHDSACASA-N -1 0 320.349 -0.059 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC000852399627 805963325 /nfs/dbraw/zinc/96/33/25/805963325.db2.gz ORFBPQUYFUTUNR-IJLUTSLNSA-N -1 0 317.386 -0.081 20 0 DBADRM CC[C@@H]1C(=O)N(CC)CCN1CCS(=O)(=O)CC(=O)[O-] ZINC000852734470 805972467 /nfs/dbraw/zinc/97/24/67/805972467.db2.gz BILJAWYALMBUIG-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)C1 ZINC000852914816 805989524 /nfs/dbraw/zinc/98/95/24/805989524.db2.gz IDPMNZXWXYNKER-HFAKWTLXSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H]3COC[C@@H]3C2)C1 ZINC000852914817 805990004 /nfs/dbraw/zinc/99/00/04/805990004.db2.gz IDPMNZXWXYNKER-PGUXBMHVSA-N -1 0 310.350 -0.196 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC2=C(CCC(=O)N2)C1)C(=O)[O-] ZINC000852915673 805990817 /nfs/dbraw/zinc/99/08/17/805990817.db2.gz ZNYFDLYMXWPRAA-SECBINFHSA-N -1 0 323.349 -0.438 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C)C2)C1 ZINC000852915178 805991754 /nfs/dbraw/zinc/99/17/54/805991754.db2.gz SFUTXDABKJXYQF-ONERCXAPSA-N -1 0 310.350 -0.196 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCCOCCS(C)(=O)=O ZINC000852944612 805994069 /nfs/dbraw/zinc/99/40/69/805994069.db2.gz OSWFOKMUPXPYLT-SECBINFHSA-N -1 0 309.384 -0.089 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC000852945954 805994119 /nfs/dbraw/zinc/99/41/19/805994119.db2.gz KUCCFZFDRQYKRQ-UWVGGRQHSA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC000852945955 805994225 /nfs/dbraw/zinc/99/42/25/805994225.db2.gz KUCCFZFDRQYKRQ-VHSXEESVSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C1 ZINC000852942189 805994261 /nfs/dbraw/zinc/99/42/61/805994261.db2.gz FLJKNXWZWPBGLU-JOYOIKCWSA-N -1 0 319.383 -0.775 20 0 DBADRM CCOC(=O)c1csc(=O)n1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000853002323 805994812 /nfs/dbraw/zinc/99/48/12/805994812.db2.gz LGVZYFARVSBPHQ-SSDOTTSWSA-N -1 0 314.319 -0.056 20 0 DBADRM CC(=O)OCCCS(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000853024172 805995974 /nfs/dbraw/zinc/99/59/74/805995974.db2.gz GRACNDYOSNNYIY-UHFFFAOYSA-N -1 0 309.340 -0.507 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000853068850 805996728 /nfs/dbraw/zinc/99/67/28/805996728.db2.gz GUTPDAFRNHEEIP-SECBINFHSA-N -1 0 306.340 -0.511 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc1C(N)=O ZINC000853069980 805997839 /nfs/dbraw/zinc/99/78/39/805997839.db2.gz ULPRXXHSDOIZHJ-MRVPVSSYSA-N -1 0 313.335 -0.424 20 0 DBADRM CCOc1cc(C(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001316831533 805998391 /nfs/dbraw/zinc/99/83/91/805998391.db2.gz WJNYRDVGPQOWDO-UHFFFAOYSA-N -1 0 323.357 -0.116 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C1(C)CCOCC1)OC ZINC000853205120 806000757 /nfs/dbraw/zinc/00/07/57/806000757.db2.gz ZFNPWMFRXQKSOC-JTQLQIEISA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cn(C)nc1C)OC ZINC000853203615 806000830 /nfs/dbraw/zinc/00/08/30/806000830.db2.gz PAECKNYOQVWOCG-VIFPVBQESA-N -1 0 305.356 -0.550 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C[C@@H]1CCCOC1)OC ZINC000853207746 806001714 /nfs/dbraw/zinc/00/17/14/806001714.db2.gz IVFCXZJDPXIWQY-WDEREUQCSA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cncc(F)c1)OC ZINC000853205614 806001879 /nfs/dbraw/zinc/00/18/79/806001879.db2.gz GARUYMNGSWOUQU-JTQLQIEISA-N -1 0 306.315 -0.058 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CCCOCC1)OC ZINC000853207832 806002034 /nfs/dbraw/zinc/00/20/34/806002034.db2.gz KTUVBTCKQBOGMN-MNOVXSKESA-N -1 0 309.384 -0.090 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)nn1 ZINC000853207325 806002044 /nfs/dbraw/zinc/00/20/44/806002044.db2.gz YQNUFCJKNOGIFP-VIFPVBQESA-N -1 0 320.371 -0.591 20 0 DBADRM CCn1cc(CC(=O)[N-]S(=O)(=O)C[C@H](COC)OC)cn1 ZINC000853206332 806002203 /nfs/dbraw/zinc/00/22/03/806002203.db2.gz PIBWKYOINPSDHV-NSHDSACASA-N -1 0 319.383 -0.447 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@]1(C)CCCOC1)OC ZINC000853205754 806002289 /nfs/dbraw/zinc/00/22/89/806002289.db2.gz JTFJMKJCRDHFRE-ZYHUDNBSSA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cncc(F)c1)OC ZINC000853205615 806002464 /nfs/dbraw/zinc/00/24/64/806002464.db2.gz GARUYMNGSWOUQU-SNVBAGLBSA-N -1 0 306.315 -0.058 20 0 DBADRM CCn1ccc(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)n1 ZINC000853208069 806002487 /nfs/dbraw/zinc/00/24/87/806002487.db2.gz AFNMTAKNNOEQKU-SECBINFHSA-N -1 0 305.356 -0.376 20 0 DBADRM CCOCC1(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)CC1 ZINC000853208423 806002738 /nfs/dbraw/zinc/00/27/38/806002738.db2.gz UCTTYMYWZSZXAL-JTQLQIEISA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1O[C@@H](C)C[C@H]1C)OC ZINC000853208626 806003113 /nfs/dbraw/zinc/00/31/13/806003113.db2.gz VWEAESOYACPZSB-LMLFDSFASA-N -1 0 309.384 -0.093 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C1(COC)CCC1)OC ZINC000853208782 806003227 /nfs/dbraw/zinc/00/32/27/806003227.db2.gz XMYJOFUVYQWXPD-SNVBAGLBSA-N -1 0 309.384 -0.090 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(=O)N1)OC ZINC000853209488 806003245 /nfs/dbraw/zinc/00/32/45/806003245.db2.gz LHVHNZQASOUJNY-VHSXEESVSA-N -1 0 322.383 -0.847 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)OC ZINC000853209745 806003304 /nfs/dbraw/zinc/00/33/04/806003304.db2.gz NIUODHZPSMOXRW-DBIOUOCHSA-N -1 0 307.368 -0.339 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)/C=C\[C@@H]1CCOC1)OC ZINC000853209578 806003387 /nfs/dbraw/zinc/00/33/87/806003387.db2.gz MJVCKDPBMTUKDS-ANDSXOESSA-N -1 0 307.368 -0.314 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@](C)(OC)C1CC1)OC ZINC000853209130 806003480 /nfs/dbraw/zinc/00/34/80/806003480.db2.gz HCSRLQJTSUJFSL-ZYHUDNBSSA-N -1 0 309.384 -0.091 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)/C=C\[C@@H]1CCCO1)OC ZINC000853210241 806003764 /nfs/dbraw/zinc/00/37/64/806003764.db2.gz YZUJSOWFEDCJDO-TUISVCKWSA-N -1 0 307.368 -0.171 20 0 DBADRM CN(CCCNC(=O)CCc1cnn(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001316870723 806018054 /nfs/dbraw/zinc/01/80/54/806018054.db2.gz RAZDTMUYXBODCP-UHFFFAOYSA-N -1 0 321.385 -0.185 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000854215723 806029164 /nfs/dbraw/zinc/02/91/64/806029164.db2.gz LOLVEVXPWKCAQK-BDAKNGLRSA-N -1 0 307.372 -0.681 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(CCOCCO)C1CCC1 ZINC000854218236 806030394 /nfs/dbraw/zinc/03/03/94/806030394.db2.gz RYJBDKADHYDDPT-UHFFFAOYSA-N -1 0 303.359 -0.373 20 0 DBADRM CC1=C(C(=O)[N-]OC2CCN(C)CC2)S(=O)(=O)CCO1 ZINC000854357165 806033712 /nfs/dbraw/zinc/03/37/12/806033712.db2.gz TUPDTKHZAPFIRW-UHFFFAOYSA-N -1 0 304.368 -0.195 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H]2COC(=O)N2)ccc1[O-] ZINC000854386410 806034955 /nfs/dbraw/zinc/03/49/55/806034955.db2.gz MQVSYCADVRVOFC-ZETCQYMHSA-N -1 0 315.307 -0.653 20 0 DBADRM COC(OC)[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000854461190 806037082 /nfs/dbraw/zinc/03/70/82/806037082.db2.gz URMYRYVCTKQOJT-SSDOTTSWSA-N -1 0 318.351 -0.223 20 0 DBADRM CC[C@@H](C)CO[N-]C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000854603412 806045534 /nfs/dbraw/zinc/04/55/34/806045534.db2.gz XGXFLUXABMJFQI-MRVPVSSYSA-N -1 0 317.367 -0.051 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854610757 806045585 /nfs/dbraw/zinc/04/55/85/806045585.db2.gz MBDUVFHWHAPGII-LLVKDONJSA-N -1 0 317.305 -0.267 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000854611467 806045683 /nfs/dbraw/zinc/04/56/83/806045683.db2.gz XARMFBYDZQFINF-SCSAIBSYSA-N -1 0 309.204 -0.687 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cccc(CN2CCOCC2)c1 ZINC000854611193 806045848 /nfs/dbraw/zinc/04/58/48/806045848.db2.gz VHNNSYKOEOQRKP-UHFFFAOYSA-N -1 0 319.321 -0.095 20 0 DBADRM C[C@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000854610413 806045908 /nfs/dbraw/zinc/04/59/08/806045908.db2.gz HIWNGBPAGNZOJN-PRJMDXOYSA-N -1 0 323.309 -0.677 20 0 DBADRM CC(C)(C)OC(=O)NCCOCC(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854610782 806045919 /nfs/dbraw/zinc/04/59/19/806045919.db2.gz MKYCOBDRVOSPSP-UHFFFAOYSA-N -1 0 317.302 -0.699 20 0 DBADRM CCC(=O)N[C@@H](CCSC)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854610779 806045980 /nfs/dbraw/zinc/04/59/80/806045980.db2.gz MIHVZMVWTIBXCH-LURJTMIESA-N -1 0 303.344 -0.593 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000854610770 806046080 /nfs/dbraw/zinc/04/60/80/806046080.db2.gz KKDWYHRHDCWNTI-AWEZNQCLSA-N -1 0 317.305 -0.393 20 0 DBADRM CCn1ncn([N-]C(=O)c2c(Br)cnn2C)c1=O ZINC000854626036 806046663 /nfs/dbraw/zinc/04/66/63/806046663.db2.gz FLRMMTCZQCUICY-UHFFFAOYSA-N -1 0 315.131 -0.055 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)CNS(=O)(=O)c1cccnc1 ZINC000854827754 806062151 /nfs/dbraw/zinc/06/21/51/806062151.db2.gz PYRYGDHWJDJRRG-NSHDSACASA-N -1 0 317.367 -0.575 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C ZINC000855024684 806069598 /nfs/dbraw/zinc/06/95/98/806069598.db2.gz SAOOLZNKAQJRMW-LLVKDONJSA-N -1 0 321.399 -0.723 20 0 DBADRM O=C(Cn1c(=S)[n-]c2ccccc2c1=O)N[C@H]1CCNC1=O ZINC000855146522 806070357 /nfs/dbraw/zinc/07/03/57/806070357.db2.gz VDBJVAUROPVBTQ-JTQLQIEISA-N -1 0 318.358 -0.310 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)Cn1cc(C(=O)OC)nn1 ZINC000855133454 806070707 /nfs/dbraw/zinc/07/07/07/806070707.db2.gz HEGBYYJUPIXBDZ-UHFFFAOYSA-N -1 0 314.298 -0.546 20 0 DBADRM COc1ccc(N2C[C@@H](NC(=O)c3cc(=O)[nH][n-]3)CC2=O)cc1 ZINC000855461410 806076759 /nfs/dbraw/zinc/07/67/59/806076759.db2.gz QTHCOOIIGCEJAN-VIFPVBQESA-N -1 0 316.317 -0.207 20 0 DBADRM O=C(CNC(=O)c1ccccn1)[N-]OCCN1CCCC1=O ZINC000856041463 806094543 /nfs/dbraw/zinc/09/45/43/806094543.db2.gz XTNNMPFFCSXJKZ-UHFFFAOYSA-N -1 0 306.322 -0.518 20 0 DBADRM Cc1cc(C)n(CC(=O)[N-]OCCN2CCCC2=O)c(=O)n1 ZINC000856042889 806094761 /nfs/dbraw/zinc/09/47/61/806094761.db2.gz OHZVURUBQRNNLF-UHFFFAOYSA-N -1 0 308.338 -0.470 20 0 DBADRM NC(=O)c1ccccc1NCC(=O)[N-]OCCN1CCCC1=O ZINC000856043467 806094835 /nfs/dbraw/zinc/09/48/35/806094835.db2.gz SXTUXJQLRGXQDD-UHFFFAOYSA-N -1 0 320.349 -0.132 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)[N-]OCCN2CCCC2=O)n1 ZINC000856045691 806095458 /nfs/dbraw/zinc/09/54/58/806095458.db2.gz HDKMKXBJAGACRE-UHFFFAOYSA-N -1 0 310.358 -0.359 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@]1(C)CO ZINC000856246674 806097646 /nfs/dbraw/zinc/09/76/46/806097646.db2.gz HWZIOWZTZKWIMD-OTYXRUKQSA-N -1 0 305.338 -0.452 20 0 DBADRM C[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@]1(C)CO ZINC000856246660 806098017 /nfs/dbraw/zinc/09/80/17/806098017.db2.gz HWZIOWZTZKWIMD-LKFCYVNXSA-N -1 0 305.338 -0.452 20 0 DBADRM Cn1cc(/C=C/C(=O)NCC2(C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000856959280 806105677 /nfs/dbraw/zinc/10/56/77/806105677.db2.gz YESUSLNPJHOOTP-ONEGZZNKSA-N -1 0 307.306 -0.922 20 0 DBADRM Cn1ncc2c1ncn(CC(=O)N1CCC[C@]1(C)C(=O)[O-])c2=O ZINC000856961697 806105908 /nfs/dbraw/zinc/10/59/08/806105908.db2.gz PMZSAGQWFYQSHS-CQSZACIVSA-N -1 0 319.321 -0.404 20 0 DBADRM Cn1cc(/C=C\C(=O)NCC2(C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000856959278 806105955 /nfs/dbraw/zinc/10/59/55/806105955.db2.gz YESUSLNPJHOOTP-ARJAWSKDSA-N -1 0 307.306 -0.922 20 0 DBADRM Cn1cc(/C=C\C(=O)N2CCC[C@]2(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000856961295 806106217 /nfs/dbraw/zinc/10/62/17/806106217.db2.gz GQERXGXREPWLRG-IYKSTZQJSA-N -1 0 321.333 -0.437 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cnc2n1CCCCC2 ZINC000857017407 806107314 /nfs/dbraw/zinc/10/73/14/806107314.db2.gz MITGQXSQEJXNCN-UHFFFAOYSA-N -1 0 300.340 -0.846 20 0 DBADRM CN(CC(=O)[N-]OC(C)(C)CO)S(=O)(=O)c1cccnc1 ZINC000857284903 806114324 /nfs/dbraw/zinc/11/43/24/806114324.db2.gz LBULEVWBVKHQSE-UHFFFAOYSA-N -1 0 317.367 -0.479 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C[C@H]1CO ZINC000857253151 806113032 /nfs/dbraw/zinc/11/30/32/806113032.db2.gz HMZRIXLNAWGXQM-JRPNMDOOSA-N -1 0 312.366 -0.214 20 0 DBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)[N-]OC(C)(C)CO ZINC000857284799 806113470 /nfs/dbraw/zinc/11/34/70/806113470.db2.gz RTTYUFHVTPDVML-UHFFFAOYSA-N -1 0 319.358 -0.554 20 0 DBADRM C[C@H](CNC(=O)c1c[n-]n2c1nccc2=O)NCc1cnon1 ZINC001317272516 806120328 /nfs/dbraw/zinc/12/03/28/806120328.db2.gz YHUMXKWGZRKMKO-MRVPVSSYSA-N -1 0 317.309 -0.686 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC(=O)NC2CC2)on1 ZINC000858882779 806161198 /nfs/dbraw/zinc/16/11/98/806161198.db2.gz GLNATBAAZWFDTN-UHFFFAOYSA-N -1 0 303.296 -0.982 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCc2cnccn2)on1 ZINC000859095942 806174991 /nfs/dbraw/zinc/17/49/91/806174991.db2.gz ANNKQNIWZZHJHW-UHFFFAOYSA-N -1 0 312.307 -0.228 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cnnn2C)on1 ZINC000859160992 806175652 /nfs/dbraw/zinc/17/56/52/806175652.db2.gz KDNCYHXENZAUHW-UHFFFAOYSA-N -1 0 301.284 -0.932 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)CC1(OCC)CCOCC1 ZINC000859208690 806179293 /nfs/dbraw/zinc/17/92/93/806179293.db2.gz RRSKNVVUZJPTLO-UHFFFAOYSA-N -1 0 324.399 -0.441 20 0 DBADRM CC[S@](=O)CCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859319476 806184554 /nfs/dbraw/zinc/18/45/54/806184554.db2.gz PLQRGSMXWAKDES-IBGZPJMESA-N -1 0 319.408 -0.049 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000859776327 806204513 /nfs/dbraw/zinc/20/45/13/806204513.db2.gz GUXIHNRFTWRCSJ-QMMMGPOBSA-N -1 0 323.305 -0.152 20 0 DBADRM CCCCS(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860448238 806231779 /nfs/dbraw/zinc/23/17/79/806231779.db2.gz BISQQTPYTKHREL-ORXSELOVSA-N -1 0 317.363 -0.047 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cn2c(n1)COCC2 ZINC000860547823 806235554 /nfs/dbraw/zinc/23/55/54/806235554.db2.gz WFDWHEPFKOLEEU-QMMMGPOBSA-N -1 0 303.340 -0.492 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)[C@H]1CNC(=O)c2ccccc21 ZINC000860495017 806233102 /nfs/dbraw/zinc/23/31/02/806233102.db2.gz GEBGIOSEUIYRMC-LBPRGKRZSA-N -1 0 323.374 -0.030 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860507200 806234386 /nfs/dbraw/zinc/23/43/86/806234386.db2.gz PXYNWIQDUNOLEY-KZFFXBSXSA-N -1 0 303.336 -0.439 20 0 DBADRM O=C([N-]S(=O)(=O)CC1CC1)c1cn(C[C@H]2CCOC2)nn1 ZINC000860544671 806235083 /nfs/dbraw/zinc/23/50/83/806235083.db2.gz SRSCDHUZXURQQZ-SNVBAGLBSA-N -1 0 314.367 -0.216 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@]1(C2CCCC2)CCNC1=O ZINC000860568139 806236639 /nfs/dbraw/zinc/23/66/39/806236639.db2.gz XTHWWPMAVQVICK-ZDUSSCGKSA-N -1 0 317.411 -0.004 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1nccc1C ZINC000860664725 806241704 /nfs/dbraw/zinc/24/17/04/806241704.db2.gz DJARRCGWEZOUPF-VHSXEESVSA-N -1 0 317.367 -0.165 20 0 DBADRM CCn1cc(C(=O)[N-]S(=O)(=O)N(C)CCOC)c(C)n1 ZINC000860599056 806237816 /nfs/dbraw/zinc/23/78/16/806237816.db2.gz VRUCIVQGROTALT-UHFFFAOYSA-N -1 0 304.372 -0.236 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C)cn1 ZINC000860588413 806238038 /nfs/dbraw/zinc/23/80/38/806238038.db2.gz GZYIYALALBFXEA-JTQLQIEISA-N -1 0 302.356 -0.522 20 0 DBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccon1)C(C)C ZINC000860580515 806238258 /nfs/dbraw/zinc/23/82/58/806238258.db2.gz CTSGLHKLRFXSEU-SNVBAGLBSA-N -1 0 303.340 -0.219 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1cn2c(n1)COCC2 ZINC000860645940 806240293 /nfs/dbraw/zinc/24/02/93/806240293.db2.gz XBEUSLYTYDBKLJ-SECBINFHSA-N -1 0 315.351 -0.348 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccnc2ccnn21 ZINC000860650706 806240427 /nfs/dbraw/zinc/24/04/27/806240427.db2.gz UYOBLPRQFUGVIZ-SSDOTTSWSA-N -1 0 312.307 -0.650 20 0 DBADRM CN1C[C@H](OC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1=O ZINC000860633422 806240512 /nfs/dbraw/zinc/24/05/12/806240512.db2.gz PUCZZXAEBVTGDA-SECBINFHSA-N -1 0 313.335 -0.159 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H](C)OC)O1 ZINC000860707143 806243677 /nfs/dbraw/zinc/24/36/77/806243677.db2.gz ZWYVLOPOEWDDRS-XHNCKOQMSA-N -1 0 309.340 -0.812 20 0 DBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000860707559 806243940 /nfs/dbraw/zinc/24/39/40/806243940.db2.gz YYDWKIHBDCMJJS-BDAKNGLRSA-N -1 0 322.383 -0.720 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)O1 ZINC000860707142 806244134 /nfs/dbraw/zinc/24/41/34/806244134.db2.gz ZWYVLOPOEWDDRS-HRDYMLBCSA-N -1 0 309.340 -0.812 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cn2c(n1)COCC2 ZINC000860707161 806244160 /nfs/dbraw/zinc/24/41/60/806244160.db2.gz QHQDYEANWRPLEN-QMMMGPOBSA-N -1 0 303.340 -0.492 20 0 DBADRM COCCCC(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001318004345 806249924 /nfs/dbraw/zinc/24/99/24/806249924.db2.gz XMGOPYMZCGXFIN-UHFFFAOYSA-N -1 0 319.365 -0.250 20 0 DBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cn1cncc1C ZINC000860884491 806251466 /nfs/dbraw/zinc/25/14/66/806251466.db2.gz OSEAJSICSHRKLF-UHFFFAOYSA-N -1 0 305.356 -0.701 20 0 DBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)CCCCNC(N)=O)CO1 ZINC000861143417 806257589 /nfs/dbraw/zinc/25/75/89/806257589.db2.gz KXEGKMHLQTYJAO-VIFPVBQESA-N -1 0 321.399 -0.162 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000861142615 806257712 /nfs/dbraw/zinc/25/77/12/806257712.db2.gz ASEOPSZFWSFKKV-VIFPVBQESA-N -1 0 306.384 -0.084 20 0 DBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861163102 806259796 /nfs/dbraw/zinc/25/97/96/806259796.db2.gz LGKNJRBMBQQOKK-UHFFFAOYSA-N -1 0 300.283 -0.072 20 0 DBADRM CN1CC(=O)Nc2cc(C(=O)NCCc3nc(=O)o[n-]3)cnc21 ZINC000861389229 806267538 /nfs/dbraw/zinc/26/75/38/806267538.db2.gz ZKTSDHNKKQPNIK-UHFFFAOYSA-N -1 0 318.293 -0.881 20 0 DBADRM COc1cc(COCC(=O)NCCc2nc(=O)o[n-]2)ccn1 ZINC000861388993 806268192 /nfs/dbraw/zinc/26/81/92/806268192.db2.gz UWAMNVSVVOWYBJ-UHFFFAOYSA-N -1 0 308.294 -0.358 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)CC[C@H]1C(=O)[O-] ZINC000861455977 806268369 /nfs/dbraw/zinc/26/83/69/806268369.db2.gz JXBHFSVTOMPWLZ-HRDYMLBCSA-N -1 0 312.326 -0.631 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)O1 ZINC000861551485 806274464 /nfs/dbraw/zinc/27/44/64/806274464.db2.gz CMLLBQZSBLFCCL-AEJSXWLSSA-N -1 0 324.337 -0.063 20 0 DBADRM Cn1ncc(CNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC000861699016 806281837 /nfs/dbraw/zinc/28/18/37/806281837.db2.gz UCJBBIHNRGWIDM-UHFFFAOYSA-N -1 0 310.339 -0.488 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCc2ccn(C)n2)CC[C@@H]1C(=O)[O-] ZINC000861717835 806282959 /nfs/dbraw/zinc/28/29/59/806282959.db2.gz CCYDHNDXOSUICF-ONGXEEELSA-N -1 0 308.338 -0.395 20 0 DBADRM Cn1[n-]nnc1=NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC001318312705 806282949 /nfs/dbraw/zinc/28/29/49/806282949.db2.gz UMMGDAJOLYQKDY-CYBMUJFWSA-N -1 0 301.310 -0.701 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000861720762 806283217 /nfs/dbraw/zinc/28/32/17/806283217.db2.gz GPGUYSGZOPODNH-ZDUSSCGKSA-N -1 0 309.326 -0.763 20 0 DBADRM COC(=O)C1=CC[C@@H](NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000861721495 806284376 /nfs/dbraw/zinc/28/43/76/806284376.db2.gz UNORITOHEDQYOS-LLVKDONJSA-N -1 0 324.333 -0.312 20 0 DBADRM COC(=O)C1=CC[C@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC000861720991 806284736 /nfs/dbraw/zinc/28/47/36/806284736.db2.gz LXSCNPMOMOGEBM-WPRPVWTQSA-N -1 0 312.322 -0.457 20 0 DBADRM O=C(c1cn2cccnc2n1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001318379076 806290905 /nfs/dbraw/zinc/29/09/05/806290905.db2.gz KEHMMENMKWANRX-SECBINFHSA-N -1 0 300.282 -0.544 20 0 DBADRM Cc1nc2ncnn2c(C)c1CCC(=O)NCc1nnn[n-]1 ZINC001318396500 806293470 /nfs/dbraw/zinc/29/34/70/806293470.db2.gz FMGRHWCMTHHFDC-UHFFFAOYSA-N -1 0 301.314 -0.497 20 0 DBADRM CCn1ncn([N-]C(=O)c2cc(S(C)(=O)=O)c(C)o2)c1=O ZINC000861821396 806298773 /nfs/dbraw/zinc/29/87/73/806298773.db2.gz SPWKHCTUCHCXBC-UHFFFAOYSA-N -1 0 314.323 -0.246 20 0 DBADRM Cc1cn(CC(=O)Nn2c(=O)[n-][nH]c2=O)nc1C(F)(F)F ZINC000861818384 806298141 /nfs/dbraw/zinc/29/81/41/806298141.db2.gz AHXDSPRKQFKUDT-UHFFFAOYSA-N -1 0 306.204 -0.017 20 0 DBADRM CC(C)[C@@H](CO)O[N-]C(=O)[C@@H](CO)NC(=O)OC(C)(C)C ZINC000861907701 806302496 /nfs/dbraw/zinc/30/24/96/806302496.db2.gz UJZMXGVZGFAMCO-NXEZZACHSA-N -1 0 306.359 -0.063 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2nc3ncccn3n2)cc1C(N)=O ZINC001318535085 806310821 /nfs/dbraw/zinc/31/08/21/806310821.db2.gz CYEWTCYTMQGGJP-UHFFFAOYSA-N -1 0 321.322 -0.638 20 0 DBADRM CCO[N-]C(=O)CNC(=O)/C=C/c1ccc(S(C)(=O)=O)o1 ZINC000862130586 806312150 /nfs/dbraw/zinc/31/21/50/806312150.db2.gz MAXPRNMUUNORFS-GQCTYLIASA-N -1 0 316.335 -0.120 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC001318579108 806313599 /nfs/dbraw/zinc/31/35/99/806313599.db2.gz YAQCDEVIQGDDAE-SECBINFHSA-N -1 0 318.351 -0.850 20 0 DBADRM COC(=O)Cc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1 ZINC001318628668 806317523 /nfs/dbraw/zinc/31/75/23/806317523.db2.gz ULONCHUYYLCHPT-UHFFFAOYSA-N -1 0 318.293 -0.830 20 0 DBADRM CC1(C)OC[C@H]2C[C@]21NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000862687635 806329928 /nfs/dbraw/zinc/32/99/28/806329928.db2.gz WLOBLGUQIWLMIG-CLAHSXSESA-N -1 0 303.322 -0.245 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC001318941483 806334452 /nfs/dbraw/zinc/33/44/52/806334452.db2.gz FOSDHMPKSKTQHN-UHFFFAOYSA-N -1 0 305.312 -0.243 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000863224537 806348279 /nfs/dbraw/zinc/34/82/79/806348279.db2.gz ADFXURRSEGIRGO-ZUZCIYMTSA-N -1 0 317.349 -0.308 20 0 DBADRM Cc1ncc(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)n1C ZINC000863410289 806355898 /nfs/dbraw/zinc/35/58/98/806355898.db2.gz YYKLUDWHAWTBDW-LLVKDONJSA-N -1 0 303.340 -0.359 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000863287499 806350519 /nfs/dbraw/zinc/35/05/19/806350519.db2.gz LMQMTVKFWVSMND-MWLCHTKSSA-N -1 0 303.322 -0.245 20 0 DBADRM CC(=O)C[C@@H](NS(=O)(=O)c1cnc(Cl)n1C)C(=O)[O-] ZINC000863408069 806356387 /nfs/dbraw/zinc/35/63/87/806356387.db2.gz MLFBZQDGDUHXGS-ZCFIWIBFSA-N -1 0 309.731 -0.216 20 0 DBADRM CC(=O)C[C@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-] ZINC000863411245 806356554 /nfs/dbraw/zinc/35/65/54/806356554.db2.gz VLLDRIBVXIHOMX-QMMMGPOBSA-N -1 0 301.324 -0.317 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-] ZINC000863417032 806357446 /nfs/dbraw/zinc/35/74/46/806357446.db2.gz QSWGWPVZESKTAX-VIFPVBQESA-N -1 0 311.356 -0.263 20 0 DBADRM CC(=O)C[C@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC000863407447 806356574 /nfs/dbraw/zinc/35/65/74/806356574.db2.gz IKQIPVPHTGMBQN-VIFPVBQESA-N -1 0 315.351 -0.070 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000863624504 806366749 /nfs/dbraw/zinc/36/67/49/806366749.db2.gz FJSGMFRVUDKMBN-LURJTMIESA-N -1 0 321.293 -0.426 20 0 DBADRM O=C(NC1=NCC(=O)N1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC001319373176 806373234 /nfs/dbraw/zinc/37/32/34/806373234.db2.gz OSPWPFZUJMSDKR-UHFFFAOYSA-N -1 0 303.303 -0.160 20 0 DBADRM CN(CC(=O)[N-]OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC001319433946 806378757 /nfs/dbraw/zinc/37/87/57/806378757.db2.gz RCQJAMWLVXQOAR-SSDOTTSWSA-N -1 0 304.290 -0.285 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000864057589 806386404 /nfs/dbraw/zinc/38/64/04/806386404.db2.gz MJLYKCVTUGOMME-MRVPVSSYSA-N -1 0 308.294 -0.169 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN(c2cccnn2)CC1 ZINC000864108408 806390765 /nfs/dbraw/zinc/39/07/65/806390765.db2.gz XXAZCEPTYCLQFJ-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM Cn1nc(C(=O)NCCOCC(=O)[O-])c2ccccc2c1=O ZINC000864172119 806390993 /nfs/dbraw/zinc/39/09/93/806390993.db2.gz OVJJQDYGIZIYFU-UHFFFAOYSA-N -1 0 305.290 -0.236 20 0 DBADRM CCO[C@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)[C@H]1CCOC1 ZINC000864133408 806391033 /nfs/dbraw/zinc/39/10/33/806391033.db2.gz OJVRQBCQKRLKAA-CABZTGNLSA-N -1 0 324.337 -0.199 20 0 DBADRM O=C([O-])COCCNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000864171659 806391069 /nfs/dbraw/zinc/39/10/69/806391069.db2.gz ASADGMLIUJEMMB-NXEZZACHSA-N -1 0 312.322 -0.621 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)COCc2ccnn2C)C1 ZINC000864145866 806391123 /nfs/dbraw/zinc/39/11/23/806391123.db2.gz OHIJXGSFDUQCKV-AWEZNQCLSA-N -1 0 311.338 -0.114 20 0 DBADRM CO[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@](C)(C(=O)[O-])C1 ZINC000864181646 806391219 /nfs/dbraw/zinc/39/12/19/806391219.db2.gz RXBOKVCLUCMSBA-OQPBUACISA-N -1 0 311.294 -0.961 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CSCN2C(C)=O)C1 ZINC000864170564 806391473 /nfs/dbraw/zinc/39/14/73/806391473.db2.gz PHIKZCFILREYOL-SKDRFNHKSA-N -1 0 302.352 -0.390 20 0 DBADRM Cn1nccc1COCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000864137274 806391498 /nfs/dbraw/zinc/39/14/98/806391498.db2.gz RRUGFWHDMQJTOE-XHDPSFHLSA-N -1 0 323.349 -0.114 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)NCCOCC(=O)[O-])c1 ZINC000864171920 806391591 /nfs/dbraw/zinc/39/15/91/806391591.db2.gz LORIFMPTOSGXDK-NSCUHMNNSA-N -1 0 307.306 -0.328 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)NCc1cc(C(=O)[O-])co1 ZINC000864192587 806392139 /nfs/dbraw/zinc/39/21/39/806392139.db2.gz GMMMUISAQBJKKH-UHFFFAOYSA-N -1 0 304.324 -0.078 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC000864193958 806392255 /nfs/dbraw/zinc/39/22/55/806392255.db2.gz RKKBJDHPZHMUNV-MFKMUULPSA-N -1 0 316.379 -0.095 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1(n2cnnn2)CCCCC1 ZINC000864215200 806392335 /nfs/dbraw/zinc/39/23/35/806392335.db2.gz FUIIDPAWALGTFR-GHMZBOCLSA-N -1 0 323.353 -0.062 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)Cn1nc2ccccn2c1=O ZINC000864212818 806392434 /nfs/dbraw/zinc/39/24/34/806392434.db2.gz HCWYXNLMGRFNHC-BXKDBHETSA-N -1 0 320.305 -0.898 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC001319579627 806394256 /nfs/dbraw/zinc/39/42/56/806394256.db2.gz WKPXYCXVDDOEFV-VIFPVBQESA-N -1 0 318.351 -0.992 20 0 DBADRM CC(=O)c1ccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001319932471 806419733 /nfs/dbraw/zinc/41/97/33/806419733.db2.gz NNKXTUSBIKUVGN-UHFFFAOYSA-N -1 0 303.278 -0.032 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)NC2CC2)C1 ZINC000866179042 806434774 /nfs/dbraw/zinc/43/47/74/806434774.db2.gz GHRKVPOBADEYBZ-LLVKDONJSA-N -1 0 307.272 -0.066 20 0 DBADRM COC(=O)c1ccccc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC001320083841 806439214 /nfs/dbraw/zinc/43/92/14/806439214.db2.gz XETOXZUZULUMGA-UHFFFAOYSA-N -1 0 304.266 -0.759 20 0 DBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC(=O)N1CCCCC1 ZINC000866493992 806443983 /nfs/dbraw/zinc/44/39/83/806443983.db2.gz FWGKFBNTEAXAKT-SFHVURJKSA-N -1 0 311.429 -0.049 20 0 DBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CC(=O)N(C(C)C)C1 ZINC000866701221 806449818 /nfs/dbraw/zinc/44/98/18/806449818.db2.gz OANBZTAQZDTBGH-NIVTXAMTSA-N -1 0 311.429 -0.052 20 0 DBADRM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@@H]1CN2CCN1CC2 ZINC000866994345 806467344 /nfs/dbraw/zinc/46/73/44/806467344.db2.gz JTFCLZVVDBODPF-LLVKDONJSA-N -1 0 322.456 -0.918 20 0 DBADRM Cn1cnc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1Cl ZINC001320278503 806468611 /nfs/dbraw/zinc/46/86/11/806468611.db2.gz MKEQEGSEPNUVIZ-UHFFFAOYSA-N -1 0 307.719 -0.839 20 0 DBADRM Cn1cc(-n2cc(C(=O)NCc3n[nH]c(=O)[n-]3)ccc2=O)cn1 ZINC001320300623 806474191 /nfs/dbraw/zinc/47/41/91/806474191.db2.gz AUNYEMIDNOIDSP-UHFFFAOYSA-N -1 0 315.293 -0.675 20 0 DBADRM C[S@@](=O)C1(C[N-]S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC000867227954 806482506 /nfs/dbraw/zinc/48/25/06/806482506.db2.gz DTDQJBPAKUESBB-MRXNPFEDSA-N -1 0 314.454 -0.006 20 0 DBADRM CCN1CC[C@@H]([N-]S(=O)(=O)N=S(=O)(CC)CC)C1=O ZINC000867241016 806483342 /nfs/dbraw/zinc/48/33/42/806483342.db2.gz PKDUHJYLYTVNHW-SECBINFHSA-N -1 0 311.429 -0.051 20 0 DBADRM C[C@@H](CN(C)C(=O)CCC[C@@]1(C)NC(=O)NC1=O)c1nnn[n-]1 ZINC001320397232 806485441 /nfs/dbraw/zinc/48/54/41/806485441.db2.gz CPMDPGLHAWFNMN-ISVAXAHUSA-N -1 0 323.357 -0.470 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC001320401259 806485533 /nfs/dbraw/zinc/48/55/33/806485533.db2.gz WZELFBUSVUWYSH-UHFFFAOYSA-N -1 0 301.328 -0.876 20 0 DBADRM CON(C)C(=O)C1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000867291140 806486795 /nfs/dbraw/zinc/48/67/95/806486795.db2.gz ZUTKQAORKVSGMO-UHFFFAOYSA-N -1 0 302.356 -0.170 20 0 DBADRM Cn1ncc2cc(S(=O)(=O)[N-]c3cnn(CCO)c3)cnc21 ZINC001320431649 806488687 /nfs/dbraw/zinc/48/86/87/806488687.db2.gz UIMXUOHIOZCKFK-UHFFFAOYSA-N -1 0 322.350 -0.042 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C1(C(=O)N(C)C)CC1 ZINC000867403578 806496835 /nfs/dbraw/zinc/49/68/35/806496835.db2.gz QHOCMVPTYANHMK-UHFFFAOYSA-N -1 0 311.429 -0.051 20 0 DBADRM Cn1nnnc1CNC(=O)CSc1n[n-]c(=S)s1 ZINC000867530462 806505462 /nfs/dbraw/zinc/50/54/62/806505462.db2.gz XBVRCGICYMAYQM-UHFFFAOYSA-N -1 0 303.398 -0.241 20 0 DBADRM COCCOc1ccccc1NC(=O)C(=O)[N-]OCC(N)=O ZINC001320603117 806508557 /nfs/dbraw/zinc/50/85/57/806508557.db2.gz GGBLQXYTBUDKTN-UHFFFAOYSA-N -1 0 311.294 -0.817 20 0 DBADRM COC(=O)c1c(F)cccc1NC(=O)C(=O)[N-]OCC(N)=O ZINC001320603617 806508767 /nfs/dbraw/zinc/50/87/67/806508767.db2.gz QGFSSOZPINTIRE-UHFFFAOYSA-N -1 0 313.241 -0.916 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)cn1 ZINC001320691586 806517680 /nfs/dbraw/zinc/51/76/80/806517680.db2.gz CPSIHDVURTZTCT-VIFPVBQESA-N -1 0 300.340 -0.814 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)[C@H]1CCCCS1(=O)=O ZINC001320720715 806521131 /nfs/dbraw/zinc/52/11/31/806521131.db2.gz UOPUIJKNWTZWFL-MRVPVSSYSA-N -1 0 302.356 -0.474 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CCCN(CC(F)F)C1 ZINC000867900479 806531326 /nfs/dbraw/zinc/53/13/26/806531326.db2.gz RKFGUBFHYJXNOU-MRVPVSSYSA-N -1 0 304.297 -0.001 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)CCO1 ZINC000868341516 806544382 /nfs/dbraw/zinc/54/43/82/806544382.db2.gz SJAIMBRJTCDHKA-TUAOUCFPSA-N -1 0 308.334 -0.277 20 0 DBADRM CO[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000868350600 806544468 /nfs/dbraw/zinc/54/44/68/806544468.db2.gz YVCTZJMNBWDJOA-MXWKQRLJSA-N -1 0 314.338 -0.676 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](n3cccn3)C2)C1 ZINC000868346782 806544529 /nfs/dbraw/zinc/54/45/29/806544529.db2.gz AFCAFPVFONEIES-NEPJUHHUSA-N -1 0 320.349 -0.020 20 0 DBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)C(=O)N3CCC3)C2)cn1 ZINC000868331027 806542740 /nfs/dbraw/zinc/54/27/40/806542740.db2.gz QVGLFAVSNOXREC-QWRGUYRKSA-N -1 0 320.349 -0.331 20 0 DBADRM C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000868332502 806543537 /nfs/dbraw/zinc/54/35/37/806543537.db2.gz FZQJGXMKZWHMJL-GRYCIOLGSA-N -1 0 312.366 -0.071 20 0 DBADRM CS(=O)(=O)c1n[n-]c(NC(=O)c2cnc(Cl)cn2)n1 ZINC001320969511 806548531 /nfs/dbraw/zinc/54/85/31/806548531.db2.gz DKMOWVXVXSKOHR-UHFFFAOYSA-N -1 0 302.703 -0.096 20 0 DBADRM CCO[C@@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)[C@@H]1CCOC1 ZINC000868441566 806556131 /nfs/dbraw/zinc/55/61/31/806556131.db2.gz WOHMCTCPFOFMLH-RTWAVKEYSA-N -1 0 313.350 -0.012 20 0 DBADRM O=C(C[C@@H]1COC(=O)C1)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001321022002 806557582 /nfs/dbraw/zinc/55/75/82/806557582.db2.gz AGIPPJXOLKJKMG-VWCDRPFISA-N -1 0 309.326 -0.775 20 0 DBADRM Cc1nc(=NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n(C)[nH]1 ZINC001321049000 806563459 /nfs/dbraw/zinc/56/34/59/806563459.db2.gz QNFVKAWWHDZCNW-UHFFFAOYSA-N -1 0 301.266 -0.453 20 0 DBADRM CC[C@@]1(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001321095791 806570655 /nfs/dbraw/zinc/57/06/55/806570655.db2.gz DXFRKHZFUWWDTM-XGACYXMMSA-N -1 0 322.369 -0.811 20 0 DBADRM COc1ccc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cn1 ZINC001321142607 806579184 /nfs/dbraw/zinc/57/91/84/806579184.db2.gz BLCAIJQCIBMTRK-NSCUHMNNSA-N -1 0 318.337 -0.010 20 0 DBADRM CN(CCOCCO)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001321212698 806587359 /nfs/dbraw/zinc/58/73/59/806587359.db2.gz IOCXHQOYMXTVAR-UHFFFAOYSA-N -1 0 308.294 -0.483 20 0 DBADRM CCO[C@@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)CCOC ZINC000870198664 806596765 /nfs/dbraw/zinc/59/67/65/806596765.db2.gz FFWHZWYKKDVLSS-GHMZBOCLSA-N -1 0 309.384 -0.090 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)[N-]S(=O)(=O)CC2CC2)C[C@H]1C ZINC000870201989 806597345 /nfs/dbraw/zinc/59/73/45/806597345.db2.gz JVLBZBJVRQDEJT-SZEHBUNVSA-N -1 0 305.352 -0.191 20 0 DBADRM CCOC1CC2(C[C@H]2C(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000870214797 806597430 /nfs/dbraw/zinc/59/74/30/806597430.db2.gz UJHPAOPSDHOVQH-AKJDGMEZSA-N -1 0 318.395 -0.115 20 0 DBADRM CCO[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)COC)[C@@H]1CCOC1 ZINC000870205630 806597695 /nfs/dbraw/zinc/59/76/95/806597695.db2.gz SQAFFVCPGFTYEB-AXFHLTTASA-N -1 0 309.384 -0.091 20 0 DBADRM CC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000870276150 806598862 /nfs/dbraw/zinc/59/88/62/806598862.db2.gz SNRWQLWMVDYSOM-MNOVXSKESA-N -1 0 304.368 -0.378 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ncc2ccccn21 ZINC000870236626 806598868 /nfs/dbraw/zinc/59/88/68/806598868.db2.gz NWNWULQBDMXIED-UHFFFAOYSA-N -1 0 312.351 -0.113 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2cccn2C)cn1 ZINC000870429883 806600817 /nfs/dbraw/zinc/60/08/17/806600817.db2.gz ODTLAUMZYVCDNB-UHFFFAOYSA-N -1 0 312.351 -0.013 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)C(COC)COC)c1C ZINC000870477510 806601092 /nfs/dbraw/zinc/60/10/92/806601092.db2.gz DPFQNGQGEQKTRG-UHFFFAOYSA-N -1 0 319.383 -0.068 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H](O)[C@H](C)O ZINC000871135296 806620667 /nfs/dbraw/zinc/62/06/67/806620667.db2.gz NYRKDERQKDUFGJ-RNJXMRFFSA-N -1 0 300.277 -0.453 20 0 DBADRM COC1CCN(S(=O)(=O)N2CC[C@@H]3[C@H](C2)[C@H]3C(=O)[O-])CC1 ZINC000871777610 806642190 /nfs/dbraw/zinc/64/21/90/806642190.db2.gz VSUJCHSHFQDJSY-WOPDTQHZSA-N -1 0 318.395 -0.006 20 0 DBADRM CO[C@]1(C(=O)[O-])CCCN(S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000871773008 806642481 /nfs/dbraw/zinc/64/24/81/806642481.db2.gz YMRSYVOASJOSDG-ZYHUDNBSSA-N -1 0 307.368 -0.082 20 0 DBADRM COCCO[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001321580729 806643197 /nfs/dbraw/zinc/64/31/97/806643197.db2.gz MQLAWEMFJAXNCP-JTQLQIEISA-N -1 0 321.337 -0.665 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000871995559 806646258 /nfs/dbraw/zinc/64/62/58/806646258.db2.gz BJAVQGHJRYGPKL-VXIZUSDNSA-N -1 0 304.368 -0.349 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)Cc2c(F)cccc2F)C1 ZINC000871997333 806646627 /nfs/dbraw/zinc/64/66/27/806646627.db2.gz OMOSHUQABYWORR-UHFFFAOYSA-N -1 0 307.274 -0.074 20 0 DBADRM CO[C@H]1Cc2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc2C1 ZINC001321688432 806658726 /nfs/dbraw/zinc/65/87/26/806658726.db2.gz BDVNQPYPXVTIGW-NSHDSACASA-N -1 0 307.306 -0.728 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC001321690066 806658878 /nfs/dbraw/zinc/65/88/78/806658878.db2.gz TVDCVBIZPRDRBT-VIFPVBQESA-N -1 0 323.305 -0.674 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]OC[C@H]1CCOC1 ZINC001321781824 806669427 /nfs/dbraw/zinc/66/94/27/806669427.db2.gz DLLYGHOYHTYVAG-NWDGAFQWSA-N -1 0 313.354 -0.802 20 0 DBADRM CN1CC[C@@H](C(=O)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)S1(=O)=O ZINC000872764930 806671600 /nfs/dbraw/zinc/67/16/00/806671600.db2.gz FBJXTYBMHAGLOO-OUJBWJOFSA-N -1 0 316.379 -0.124 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCCN1CCCC1=O ZINC001321859892 806680691 /nfs/dbraw/zinc/68/06/91/806680691.db2.gz ASDDQWJSURCPJN-LLVKDONJSA-N -1 0 313.354 -0.801 20 0 DBADRM C[C@@H](CS(=O)(=O)[N-]C(=O)CN1CCOCC1=O)C(C)(C)C ZINC000873604207 806687511 /nfs/dbraw/zinc/68/75/11/806687511.db2.gz RNSOZCUXBHEQGV-JTQLQIEISA-N -1 0 320.411 -0.027 20 0 DBADRM O=C([O-])C(=O)N1CCN(C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000873641838 806687586 /nfs/dbraw/zinc/68/75/86/806687586.db2.gz FKRBPTCEFUPQOC-LBPRGKRZSA-N -1 0 312.366 -0.199 20 0 DBADRM CC(C)(CO)CCCNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001322053315 806706547 /nfs/dbraw/zinc/70/65/47/806706547.db2.gz QPAPBUZCFCUWAJ-NSHDSACASA-N -1 0 302.371 -0.014 20 0 DBADRM CC(C)(CO)CCCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001322053314 806706800 /nfs/dbraw/zinc/70/68/00/806706800.db2.gz QPAPBUZCFCUWAJ-LLVKDONJSA-N -1 0 302.371 -0.014 20 0 DBADRM O=Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cs1 ZINC000874965777 806724806 /nfs/dbraw/zinc/72/48/06/806724806.db2.gz PTBBEPHRFIZEJN-SECBINFHSA-N -1 0 317.344 -0.116 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC001322515188 806748387 /nfs/dbraw/zinc/74/83/87/806748387.db2.gz VEQCESQDTRHBCR-NXEZZACHSA-N -1 0 322.383 -0.400 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1c(C(F)(F)F)cnn1C ZINC000875495171 806751586 /nfs/dbraw/zinc/75/15/86/806751586.db2.gz PYSLHINULJNXDM-UHFFFAOYSA-N -1 0 324.259 -0.251 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCN1CCOC[C@H]1CC ZINC000875697886 806762806 /nfs/dbraw/zinc/76/28/06/806762806.db2.gz GGDPLXODNJKFEX-LLVKDONJSA-N -1 0 302.375 -0.536 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1CCCC[C@@H]1CNC(C)=O ZINC000875698549 806763407 /nfs/dbraw/zinc/76/34/07/806763407.db2.gz SGDZJTZWKQRRKO-LLVKDONJSA-N -1 0 300.359 -0.246 20 0 DBADRM COC(=O)CCCCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001322653166 806764527 /nfs/dbraw/zinc/76/45/27/806764527.db2.gz UHPNMHDFLOIAJJ-UHFFFAOYSA-N -1 0 308.356 -0.698 20 0 DBADRM CSCCO[N-]C(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC001322658768 806765793 /nfs/dbraw/zinc/76/57/93/806765793.db2.gz NJZQKRISGPHCQG-VIFPVBQESA-N -1 0 315.395 -0.476 20 0 DBADRM CCC1(CC)NC(=O)N(CC(=O)NCc2nc(=O)o[n-]2)C1=O ZINC001322949894 806802591 /nfs/dbraw/zinc/80/25/91/806802591.db2.gz UEXVBOLPTFWYND-UHFFFAOYSA-N -1 0 311.298 -0.910 20 0 DBADRM O=C([N-]OC1CCOCC1)C(=O)NCCOC(F)(F)F ZINC001323086486 806821745 /nfs/dbraw/zinc/82/17/45/806821745.db2.gz GIKSOBIPDUPXCL-UHFFFAOYSA-N -1 0 300.233 -0.134 20 0 DBADRM Cc1c(NC(=O)C(=O)NCc2nnn[n-]2)cnn1CC(C)C ZINC001323226409 806838867 /nfs/dbraw/zinc/83/88/67/806838867.db2.gz SBTHCORWRHRLKO-UHFFFAOYSA-N -1 0 306.330 -0.384 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)O1 ZINC001323236219 806841184 /nfs/dbraw/zinc/84/11/84/806841184.db2.gz CBXPMYZAJNTCDQ-UWVGGRQHSA-N -1 0 302.327 -0.662 20 0 DBADRM CN(CCNS(C)(=O)=O)CC(=O)[N-]OCc1ccccc1 ZINC001323380359 806866053 /nfs/dbraw/zinc/86/60/53/806866053.db2.gz RBHZBFQGMQWGOB-UHFFFAOYSA-N -1 0 315.395 -0.285 20 0 DBADRM O=C(c1ccc2n[nH]c(=O)n2c1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001323441888 806874577 /nfs/dbraw/zinc/87/45/77/806874577.db2.gz CGFAFRBIDXWONK-QMMMGPOBSA-N -1 0 314.309 -0.032 20 0 DBADRM CC1(CCNC(=O)C(=O)[N-]OC[C@H]2CCOC2)OCCO1 ZINC001323497628 806880313 /nfs/dbraw/zinc/88/03/13/806880313.db2.gz KCGDJTFKUGZSDR-JTQLQIEISA-N -1 0 302.327 -0.660 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(CCNS(C)(=O)=O)C1 ZINC000879766384 806901417 /nfs/dbraw/zinc/90/14/17/806901417.db2.gz XLJIEUJSHUOUQQ-SECBINFHSA-N -1 0 317.333 -0.322 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC001323726472 806907833 /nfs/dbraw/zinc/90/78/33/806907833.db2.gz CJOUXVOYMSJDMC-SNVBAGLBSA-N -1 0 306.384 -0.226 20 0 DBADRM CCOC(=O)C[C@H](C)CNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001323726816 806907982 /nfs/dbraw/zinc/90/79/82/806907982.db2.gz ASXLXDXXDOCWGL-JTQLQIEISA-N -1 0 316.354 -0.081 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)[N-]OC[C@H]2CCOC2)[C@@H]1OC ZINC001323757870 806911351 /nfs/dbraw/zinc/91/13/51/806911351.db2.gz AMQIYCDBQUQHNU-YFKTTZPYSA-N -1 0 316.354 -0.621 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC001323761712 806912078 /nfs/dbraw/zinc/91/20/78/806912078.db2.gz IAHUHKMDWAFESO-GHMZBOCLSA-N -1 0 315.370 -0.558 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001323761713 806912090 /nfs/dbraw/zinc/91/20/90/806912090.db2.gz IAHUHKMDWAFESO-MNOVXSKESA-N -1 0 315.370 -0.558 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)Cn1cc(Br)cn1 ZINC000880389031 806923199 /nfs/dbraw/zinc/92/31/99/806923199.db2.gz PUQZJVONIKKWBJ-UHFFFAOYSA-N -1 0 316.115 -0.020 20 0 DBADRM O=C(CN1CCC(=O)NCC12COC2)[N-]OCc1ccccc1 ZINC000880401193 806924418 /nfs/dbraw/zinc/92/44/18/806924418.db2.gz QCHDHJYLZOLTGP-UHFFFAOYSA-N -1 0 319.361 -0.175 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC001323907058 806927490 /nfs/dbraw/zinc/92/74/90/806927490.db2.gz OVRADOYAMXTMMZ-UHFFFAOYSA-N -1 0 309.278 -0.350 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001323918654 806928202 /nfs/dbraw/zinc/92/82/02/806928202.db2.gz KAJRSPKGWXKEOO-SECBINFHSA-N -1 0 316.383 -0.598 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)[O-] ZINC001324046569 806939707 /nfs/dbraw/zinc/93/97/07/806939707.db2.gz PWGRXRDHCYDVTD-OAHLLOKOSA-N -1 0 320.301 -0.095 20 0 DBADRM O=C([N-]Cc1cn(C[C@]2(O)CCCOC2)nn1)C(F)(F)F ZINC000881415173 806942306 /nfs/dbraw/zinc/94/23/06/806942306.db2.gz QVGHFJSMZIWYMG-SNVBAGLBSA-N -1 0 308.260 -0.002 20 0 DBADRM Cn1nnc(C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)n1 ZINC000881446714 806943324 /nfs/dbraw/zinc/94/33/24/806943324.db2.gz LWWQTINFDKDPSQ-SECBINFHSA-N -1 0 306.248 -0.507 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)CCc1cncnc1 ZINC001324158198 806948116 /nfs/dbraw/zinc/94/81/16/806948116.db2.gz HFXBNQSTFRNCBV-UHFFFAOYSA-N -1 0 317.367 -0.482 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@H](O)C(F)(F)F ZINC000881912572 806953988 /nfs/dbraw/zinc/95/39/88/806953988.db2.gz GHZIQFBJDBOWKT-AAODDVHNSA-N -1 0 313.323 -0.682 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](O)C(F)(F)F ZINC000881912574 806955240 /nfs/dbraw/zinc/95/52/40/806955240.db2.gz GHZIQFBJDBOWKT-NEXAQPNMSA-N -1 0 313.323 -0.682 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC001324382435 806968953 /nfs/dbraw/zinc/96/89/53/806968953.db2.gz HFGQKPGEDMBRIF-UHFFFAOYSA-N -1 0 305.290 -0.323 20 0 DBADRM O=C(Cn1ncc2ccccc2c1=O)Nn1c(=O)[n-][nH]c1=O ZINC001324385577 806969859 /nfs/dbraw/zinc/96/98/59/806969859.db2.gz DASPBDIUGKHGEZ-UHFFFAOYSA-N -1 0 302.250 -0.831 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 ZINC001324383657 806969953 /nfs/dbraw/zinc/96/99/53/806969953.db2.gz ZLMDZLBLJBCXMM-UHFFFAOYSA-N -1 0 301.324 -0.017 20 0 DBADRM Cn1nc(C(=O)NCc2nc(=O)o[n-]2)c2ccccc2c1=O ZINC001324752903 807003571 /nfs/dbraw/zinc/00/35/71/807003571.db2.gz UHEHHZFLPCUEOP-UHFFFAOYSA-N -1 0 301.262 -0.460 20 0 DBADRM CC(C)N1CCO[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001035467234 814948469 /nfs/dbraw/zinc/94/84/69/814948469.db2.gz NBRDJVGQCHSMJL-SNVBAGLBSA-N -1 0 310.354 -0.675 20 0 DBADRM CC(C)N1CCO[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001035467232 814948667 /nfs/dbraw/zinc/94/86/67/814948667.db2.gz NBRDJVGQCHSMJL-JTQLQIEISA-N -1 0 310.354 -0.675 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1cnco1 ZINC001035469492 814949326 /nfs/dbraw/zinc/94/93/26/814949326.db2.gz ZMMDSYKJGCCAGC-QMMMGPOBSA-N -1 0 308.298 -0.871 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001035477582 814952726 /nfs/dbraw/zinc/95/27/26/814952726.db2.gz IDLVLSNNDAQXMS-QCNOEVLYSA-N -1 0 321.381 -0.127 20 0 DBADRM Cc1nn(C)c2sc(C(=O)NCC(=O)NCC(=O)[O-])cc12 ZINC000035098673 803759589 /nfs/dbraw/zinc/75/95/89/803759589.db2.gz KLHMAIBOXCJAKE-UHFFFAOYSA-N -1 0 310.335 -0.126 20 0 DBADRM CC(C)NC(=O)CN(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000037833017 803760994 /nfs/dbraw/zinc/76/09/94/803760994.db2.gz PPDVFEUFVPAYEY-UHFFFAOYSA-N -1 0 318.355 -0.887 20 0 DBADRM CNS(=O)(=O)c1ccc(NC(=O)COCC(=O)[O-])cc1 ZINC000041064194 803761903 /nfs/dbraw/zinc/76/19/03/803761903.db2.gz HKFXWJFYMRYZMI-UHFFFAOYSA-N -1 0 302.308 -0.366 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000048445700 803774239 /nfs/dbraw/zinc/77/42/39/803774239.db2.gz QVSLIMGKHXRQJQ-LURJTMIESA-N -1 0 304.299 -0.063 20 0 DBADRM CCO[N-]C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000049346592 803776861 /nfs/dbraw/zinc/77/68/61/803776861.db2.gz WTRDLVNRLRGGPA-MRVPVSSYSA-N -1 0 303.340 -0.780 20 0 DBADRM CCOc1ccc(OCC(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000075240692 803790145 /nfs/dbraw/zinc/79/01/45/803790145.db2.gz ASLARUUWTLBBPO-UHFFFAOYSA-N -1 0 310.306 -0.219 20 0 DBADRM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000090275056 803800385 /nfs/dbraw/zinc/80/03/85/803800385.db2.gz KKHIOXZLOPFXSZ-XPTSAGLGSA-N -1 0 300.355 -0.025 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@H]2CN(C)CCO2)cc1C(=O)[O-] ZINC000091666668 803801676 /nfs/dbraw/zinc/80/16/76/803801676.db2.gz HTPQTEWVMBIDEY-VIFPVBQESA-N -1 0 317.367 -0.668 20 0 DBADRM Cc1noc(C)c1CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000091553702 803801684 /nfs/dbraw/zinc/80/16/84/803801684.db2.gz CUOARUYKIDPMAK-UHFFFAOYSA-N -1 0 320.353 -0.410 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCC(OCC(=O)[O-])CC1 ZINC000111801040 803807269 /nfs/dbraw/zinc/80/72/69/803807269.db2.gz PRLWWKWUXTUHEA-UHFFFAOYSA-N -1 0 303.340 -0.028 20 0 DBADRM CS(=O)(=O)N1CCN(C(=O)C2CCC(C(=O)[O-])CC2)CC1 ZINC000111476628 803807602 /nfs/dbraw/zinc/80/76/02/803807602.db2.gz BTJWUUNSYQTBEP-UHFFFAOYSA-N -1 0 318.395 -0.019 20 0 DBADRM COC(=O)CCCS(=O)(=O)N1CCC(OCC(=O)[O-])CC1 ZINC000111800760 803807674 /nfs/dbraw/zinc/80/76/74/803807674.db2.gz WLYCZYIVQMTMRC-UHFFFAOYSA-N -1 0 323.367 -0.165 20 0 DBADRM Cn1nccc1S(=O)(=O)N1CCC(OCC(=O)[O-])CC1 ZINC000124143632 803809910 /nfs/dbraw/zinc/80/99/10/803809910.db2.gz QAFWMJUNQQMXER-UHFFFAOYSA-N -1 0 303.340 -0.326 20 0 DBADRM CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCS(C)(=O)=O ZINC000136251728 803817303 /nfs/dbraw/zinc/81/73/03/803817303.db2.gz SIJRCRLYBGIACZ-QMMMGPOBSA-N -1 0 301.386 -0.550 20 0 DBADRM O=C(NC[C@@H]1CN(CCF)CCO1)c1c[n-]n2c1nccc2=O ZINC001035535146 814968636 /nfs/dbraw/zinc/96/86/36/814968636.db2.gz FRRHJJIUQOLZAW-SNVBAGLBSA-N -1 0 323.328 -0.577 20 0 DBADRM CCS(=O)(=O)N1CCC(NS(=O)(=O)c2ncc[n-]2)CC1 ZINC000313166669 803838104 /nfs/dbraw/zinc/83/81/04/803838104.db2.gz UAUDSTXRXRBYPD-UHFFFAOYSA-N -1 0 322.412 -0.498 20 0 DBADRM Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@H](CO)C2)cc1C(=O)[O-] ZINC000316782720 803839215 /nfs/dbraw/zinc/83/92/15/803839215.db2.gz FAVKADSPCUUNIH-CABZTGNLSA-N -1 0 315.347 -0.333 20 0 DBADRM CC[C@H](NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)C(N)=O ZINC000379289984 803851883 /nfs/dbraw/zinc/85/18/83/803851883.db2.gz JEGDFISEHMSPAA-QMMMGPOBSA-N -1 0 302.308 -0.367 20 0 DBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)NC2CS(=O)(=O)C2)c1 ZINC000379911185 803852562 /nfs/dbraw/zinc/85/25/62/803852562.db2.gz MNFOMDBLCKCRFS-UHFFFAOYSA-N -1 0 323.323 -0.401 20 0 DBADRM C[C@]12CCC(=O)N1[C@H](C(=O)N1CC[C@@](O)(C(=O)[O-])C1)CS2 ZINC000386479525 803855562 /nfs/dbraw/zinc/85/55/62/803855562.db2.gz QCZOXEKPVYUXJZ-HJIKLVIJSA-N -1 0 314.363 -0.512 20 0 DBADRM COc1ccccc1S(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000386501791 803855589 /nfs/dbraw/zinc/85/55/89/803855589.db2.gz UOQDWWWELRTKSX-GFCCVEGCSA-N -1 0 301.320 -0.095 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000386495643 803855869 /nfs/dbraw/zinc/85/58/69/803855869.db2.gz SYMQRQOWBYECTM-LLVKDONJSA-N -1 0 316.291 -0.195 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cnn(-c2ccccc2)c1 ZINC000387101357 803856724 /nfs/dbraw/zinc/85/67/24/803856724.db2.gz XFSYONBBFUHLMQ-UHFFFAOYSA-N -1 0 302.290 -0.197 20 0 DBADRM COc1cc(C(=O)NCC(=O)NCC(=O)[O-])cc(OC)c1C ZINC000386879226 803856908 /nfs/dbraw/zinc/85/69/08/803856908.db2.gz CKQDIUTXXWUCFV-UHFFFAOYSA-N -1 0 310.306 -0.057 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000395382608 803861447 /nfs/dbraw/zinc/86/14/47/803861447.db2.gz ZGHFBJUWAFXULG-NSHDSACASA-N -1 0 316.291 -0.195 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)NCCOCC(F)F)CC1 ZINC000396773434 803861911 /nfs/dbraw/zinc/86/19/11/803861911.db2.gz VJEWLACNECAWOF-UHFFFAOYSA-N -1 0 309.269 -0.794 20 0 DBADRM C[C@H]1C[C@H](CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCO1 ZINC000396712519 803861957 /nfs/dbraw/zinc/86/19/57/803861957.db2.gz INPXGSCYOHTELP-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)CCS(C)(=O)=O ZINC000397085575 803863471 /nfs/dbraw/zinc/86/34/71/803863471.db2.gz ITEQRAPMYJHPKF-IUCAKERBSA-N -1 0 313.397 -0.454 20 0 DBADRM CC[C@@H](C)C[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000400409893 803864892 /nfs/dbraw/zinc/86/48/92/803864892.db2.gz VVRXSWVHFLSAGP-RKDXNWHRSA-N -1 0 315.413 -0.160 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000405411591 803866161 /nfs/dbraw/zinc/86/61/61/803866161.db2.gz UMRVUHIVTMJTKZ-SECBINFHSA-N -1 0 313.397 -0.549 20 0 DBADRM C[C@@H]1CN(CCNC(=O)CSc2n[nH]c(=O)[n-]2)CCO1 ZINC000558491709 803873398 /nfs/dbraw/zinc/87/33/98/803873398.db2.gz PUWUOZOBHVENCM-MRVPVSSYSA-N -1 0 301.372 -0.561 20 0 DBADRM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)N(C)C ZINC000625558666 803881731 /nfs/dbraw/zinc/88/17/31/803881731.db2.gz UHUWIEJYTCVREV-MRVPVSSYSA-N -1 0 314.367 -0.340 20 0 DBADRM COc1ccc(F)cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000650387123 803897486 /nfs/dbraw/zinc/89/74/86/803897486.db2.gz ZAJQZEOZXKSTHC-WKEGUHRASA-N -1 0 307.299 -0.053 20 0 DBADRM O=C([O-])[C@H](Cc1ncccn1)NS(=O)(=O)C[C@@H]1CCCO1 ZINC000650428979 803898456 /nfs/dbraw/zinc/89/84/56/803898456.db2.gz YKGAYKOLQGHZCE-UWVGGRQHSA-N -1 0 315.351 -0.429 20 0 DBADRM COc1ccc(F)cc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000650388631 803898644 /nfs/dbraw/zinc/89/86/44/803898644.db2.gz XAERYVKSNHRZGR-ZETCQYMHSA-N -1 0 320.298 -0.559 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000650428974 803898673 /nfs/dbraw/zinc/89/86/73/803898673.db2.gz YINFCKBIFZOKMR-AEJSXWLSSA-N -1 0 315.351 -0.431 20 0 DBADRM CC(C)[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cnnn1C ZINC000650419856 803898856 /nfs/dbraw/zinc/89/88/56/803898856.db2.gz FRMBLNUQVBURAP-PSASIEDQSA-N -1 0 302.356 -0.065 20 0 DBADRM CCN(CC(=O)[O-])C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000690661117 803907822 /nfs/dbraw/zinc/90/78/22/803907822.db2.gz TZXPNQGKVMJUIV-SECBINFHSA-N -1 0 307.372 -0.616 20 0 DBADRM CS(=O)(=O)CCS(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000697990951 803911282 /nfs/dbraw/zinc/91/12/82/803911282.db2.gz ZIJPMRNDJLHCFN-VIFPVBQESA-N -1 0 313.397 -0.549 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000702559086 803914578 /nfs/dbraw/zinc/91/45/78/803914578.db2.gz LIUONJHIIYLCCA-ZJUUUORDSA-N -1 0 302.352 -0.300 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(c2cc(C(=O)[O-])ncn2)C1 ZINC000702947828 803916137 /nfs/dbraw/zinc/91/61/37/803916137.db2.gz FFNXATGUYUDVOB-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(c2ncncc2C(=O)[O-])C1 ZINC000705786348 803916479 /nfs/dbraw/zinc/91/64/79/803916479.db2.gz FVNONLVEYGAPCJ-MRVPVSSYSA-N -1 0 300.340 -0.307 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(c2ncncc2C(=O)[O-])C1 ZINC000705786350 803917311 /nfs/dbraw/zinc/91/73/11/803917311.db2.gz FVNONLVEYGAPCJ-QMMMGPOBSA-N -1 0 300.340 -0.307 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1c(Br)cnn1C ZINC000713289738 803921122 /nfs/dbraw/zinc/92/11/22/803921122.db2.gz LXKVCQKKEKJURB-SSDOTTSWSA-N -1 0 306.116 -0.102 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1c(Br)cnn1C ZINC000713289740 803921314 /nfs/dbraw/zinc/92/13/14/803921314.db2.gz LXKVCQKKEKJURB-ZETCQYMHSA-N -1 0 306.116 -0.102 20 0 DBADRM Cc1ccc(C(=O)NCCNS(C)(=O)=O)cc1C(=O)[O-] ZINC000716458555 803924167 /nfs/dbraw/zinc/92/41/67/803924167.db2.gz WUOCJQCJOLBXCX-UHFFFAOYSA-N -1 0 300.336 -0.028 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@]12C[C@H]1COC2 ZINC000718030007 803925886 /nfs/dbraw/zinc/92/58/86/803925886.db2.gz AUNBGFOAGUKGHK-WKEGUHRASA-N -1 0 304.349 -0.003 20 0 DBADRM CO[C@@]1(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCSC1 ZINC000719241307 803926049 /nfs/dbraw/zinc/92/60/49/803926049.db2.gz OZLXQUCVKHALMA-GXSJLCMTSA-N -1 0 324.424 -0.108 20 0 DBADRM CO[C@]1(CNS(=O)(=O)N(C)CCC(=O)[O-])CCSC1 ZINC000719230158 803926131 /nfs/dbraw/zinc/92/61/31/803926131.db2.gz QIJAQRVYSPTJAK-JTQLQIEISA-N -1 0 312.413 -0.251 20 0 DBADRM CS(=O)(=O)CC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000720373339 803927826 /nfs/dbraw/zinc/92/78/26/803927826.db2.gz TXEMRWDJBFVKOC-WDSKDSINSA-N -1 0 303.258 -0.248 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000737598985 803934695 /nfs/dbraw/zinc/93/46/95/803934695.db2.gz FRMBFBQPKHKSMG-MRVPVSSYSA-N -1 0 307.372 -0.427 20 0 DBADRM Cc1ccn2ncc(C(=O)N3CCO[C@H](c4nnn[n-]4)C3)c2n1 ZINC000737436101 803934762 /nfs/dbraw/zinc/93/47/62/803934762.db2.gz LAMLUZXLIKNCTE-JTQLQIEISA-N -1 0 314.309 -0.235 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cccc(-n2cccn2)n1 ZINC000737343519 803934885 /nfs/dbraw/zinc/93/48/85/803934885.db2.gz XXUMEFSSTHTGBE-UHFFFAOYSA-N -1 0 310.335 -0.027 20 0 DBADRM CC(C)[C@@H]1CN(C)CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000737742160 803935566 /nfs/dbraw/zinc/93/55/66/803935566.db2.gz DZYSWYWAKPIBCH-LBPRGKRZSA-N -1 0 318.381 -0.130 20 0 DBADRM O=C(c1cc2c(cc1O)OCO2)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000738247333 803937058 /nfs/dbraw/zinc/93/70/58/803937058.db2.gz BTAUTFQRXVITHL-NSHDSACASA-N -1 0 319.277 -0.152 20 0 DBADRM C[C@@H](NC(=O)CN1CC[C@@H](CNC(=O)[O-])C1)C(=O)N(C)C ZINC000738962947 803938179 /nfs/dbraw/zinc/93/81/79/803938179.db2.gz UWZRWWNYTOZEBD-ZJUUUORDSA-N -1 0 300.359 -0.831 20 0 DBADRM CC(C)NC(=O)[C@H](C)OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738854126 803938253 /nfs/dbraw/zinc/93/82/53/803938253.db2.gz MOZYCQFZSDGLPH-VIFPVBQESA-N -1 0 315.326 -0.735 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)Cn2ncc3ccccc32)CC1 ZINC000738517880 803939100 /nfs/dbraw/zinc/93/91/00/803939100.db2.gz XPPYKEVRNGZZRE-UHFFFAOYSA-N -1 0 316.317 -0.208 20 0 DBADRM C[C@H]1CN(C(=S)NCCS(C)(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739171158 803940324 /nfs/dbraw/zinc/94/03/24/803940324.db2.gz HBEGXZYIEVBXJF-IUCAKERBSA-N -1 0 323.440 -0.117 20 0 DBADRM C[C@H]1CN(C(=S)NCCS(C)(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739171155 803940393 /nfs/dbraw/zinc/94/03/93/803940393.db2.gz HBEGXZYIEVBXJF-DTWKUNHWSA-N -1 0 323.440 -0.117 20 0 DBADRM COCCN(CC(=O)N1CCO[C@@H](C(=O)OC)C1)C(=O)[O-] ZINC000739822097 803942704 /nfs/dbraw/zinc/94/27/04/803942704.db2.gz JCCDKCKTQIUNQX-SECBINFHSA-N -1 0 304.299 -0.987 20 0 DBADRM COc1ncc(C(=O)N(C)CCN2CCN(C(=O)[O-])CC2)cn1 ZINC000739985970 803943635 /nfs/dbraw/zinc/94/36/35/803943635.db2.gz VMRWZOSINVQXPX-UHFFFAOYSA-N -1 0 323.353 -0.147 20 0 DBADRM O=C([O-])c1cccc(C(=O)OCCCN2C(=O)CNC2=O)n1 ZINC000740216523 803944279 /nfs/dbraw/zinc/94/42/79/803944279.db2.gz NDAWXANDPWPROY-UHFFFAOYSA-N -1 0 307.262 -0.122 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000740150785 803944371 /nfs/dbraw/zinc/94/43/71/803944371.db2.gz XTUWCJQKXLXJJS-UHFFFAOYSA-N -1 0 302.216 -0.485 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000740532764 803947113 /nfs/dbraw/zinc/94/71/13/803947113.db2.gz RTCYWSYQPZVCSA-FGWVZKOKSA-N -1 0 316.379 -0.315 20 0 DBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)COC)C(C)C ZINC000741443295 803959285 /nfs/dbraw/zinc/95/92/85/803959285.db2.gz RDIAHFRVGNBMLK-ONGXEEELSA-N -1 0 324.399 -0.746 20 0 DBADRM Cc1cc(C(=O)NCC[S@@](C)=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000742251427 803966115 /nfs/dbraw/zinc/96/61/15/803966115.db2.gz MQOJKMDGYBSZBI-OAQYLSRUSA-N -1 0 310.335 -0.147 20 0 DBADRM CC(C)S(=O)(=O)[N-]C(=O)Cn1nnc2ccccc2c1=O ZINC000743494959 803981797 /nfs/dbraw/zinc/98/17/97/803981797.db2.gz YTEIJOIQPWKNEH-UHFFFAOYSA-N -1 0 310.335 -0.354 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccco1 ZINC000743653786 803984313 /nfs/dbraw/zinc/98/43/13/803984313.db2.gz IRVNLPXZARQMCJ-CQSZACIVSA-N -1 0 317.305 -0.312 20 0 DBADRM O=C([N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)C1=COCC1 ZINC000744003753 803985786 /nfs/dbraw/zinc/98/57/86/803985786.db2.gz PYBHDVBXESNVFT-UHFFFAOYSA-N -1 0 321.318 -0.229 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)nnn1C ZINC000744079259 803986485 /nfs/dbraw/zinc/98/64/85/803986485.db2.gz GYSLVLUGOYXXCB-UHFFFAOYSA-N -1 0 318.746 -0.371 20 0 DBADRM CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000744136422 803987486 /nfs/dbraw/zinc/98/74/86/803987486.db2.gz FNNOIYMJBLISFY-SNVBAGLBSA-N -1 0 306.384 -0.226 20 0 DBADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000744131376 803987660 /nfs/dbraw/zinc/98/76/60/803987660.db2.gz CYRRTNFHTGJBKV-MRVPVSSYSA-N -1 0 317.371 -0.741 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)NC)nc1 ZINC000744242294 803988525 /nfs/dbraw/zinc/98/85/25/803988525.db2.gz XEQGIXSJDOOSGL-UHFFFAOYSA-N -1 0 300.340 -0.633 20 0 DBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000744295708 803988568 /nfs/dbraw/zinc/98/85/68/803988568.db2.gz QZHVHKMELACBLQ-UHFFFAOYSA-N -1 0 314.363 -0.010 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000744243533 803988612 /nfs/dbraw/zinc/98/86/12/803988612.db2.gz ULKRRMTZCMDZPJ-UHFFFAOYSA-N -1 0 324.366 -0.483 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1 ZINC000744240297 803988644 /nfs/dbraw/zinc/98/86/44/803988644.db2.gz FDNBEEMOEMUYOX-UHFFFAOYSA-N -1 0 310.339 -0.411 20 0 DBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000744264707 803988747 /nfs/dbraw/zinc/98/87/47/803988747.db2.gz DNBLMHQCARVVHJ-UHFFFAOYSA-N -1 0 324.302 -0.970 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000744242041 803988843 /nfs/dbraw/zinc/98/88/43/803988843.db2.gz SHABDTUXZIGJIG-GZMMTYOYSA-N -1 0 321.424 -0.247 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1sccc1-n1cnnn1 ZINC000744240371 803988854 /nfs/dbraw/zinc/98/88/54/803988854.db2.gz NQKQJXNEYXSQAU-UHFFFAOYSA-N -1 0 316.368 -0.350 20 0 DBADRM O=C(COC(=O)c1c(F)cc([O-])cc1F)N1CCNC(=O)C1 ZINC000746987657 804022718 /nfs/dbraw/zinc/02/27/18/804022718.db2.gz YDFUQCDKSZMVMH-UHFFFAOYSA-N -1 0 314.244 -0.214 20 0 DBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCF)cn1 ZINC000747134609 804024447 /nfs/dbraw/zinc/02/44/47/804024447.db2.gz XMFCDGVCWFCDNG-UHFFFAOYSA-N -1 0 303.315 -0.140 20 0 DBADRM O=C([N-]S(=O)(=O)CCCF)[C@]12CCC(=O)N1CCS2 ZINC000747133473 804024750 /nfs/dbraw/zinc/02/47/50/804024750.db2.gz VEDGULBIORCEDF-SNVBAGLBSA-N -1 0 310.372 -0.143 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)CSc2n[n-]c(=S)s2)CCO1 ZINC000747215386 804025837 /nfs/dbraw/zinc/02/58/37/804025837.db2.gz BQCUPYWYGUGLIT-RXMQYKEDSA-N -1 0 320.421 -0.368 20 0 DBADRM CCCC(=O)NCCC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001280850868 804027284 /nfs/dbraw/zinc/02/72/84/804027284.db2.gz OZSQQGWQWHGBOP-SECBINFHSA-N -1 0 313.358 -0.110 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747751303 804031597 /nfs/dbraw/zinc/03/15/97/804031597.db2.gz FJZKIZZMANCYSD-UHFFFAOYSA-N -1 0 321.399 -0.768 20 0 DBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)c1cc(=O)[nH][n-]1 ZINC000748312789 804037968 /nfs/dbraw/zinc/03/79/68/804037968.db2.gz DVVQTPFMEQOBBW-UHFFFAOYSA-N -1 0 316.321 -0.217 20 0 DBADRM CCc1cc(N2CCC(NC(=O)c3cc(=O)[nH][n-]3)CC2)ncn1 ZINC000748503066 804041601 /nfs/dbraw/zinc/04/16/01/804041601.db2.gz HVEZZNAHLYBQSA-UHFFFAOYSA-N -1 0 316.365 0.000 20 0 DBADRM CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)[N-]OCCOC ZINC000748766276 804043648 /nfs/dbraw/zinc/04/36/48/804043648.db2.gz CVUMYBURTLNBQG-GFCCVEGCSA-N -1 0 320.353 -0.031 20 0 DBADRM COCCO[N-]C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000748768362 804043901 /nfs/dbraw/zinc/04/39/01/804043901.db2.gz WNZHELKQUZZDKW-UHFFFAOYSA-N -1 0 314.319 -0.475 20 0 DBADRM CC(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000749070082 804046355 /nfs/dbraw/zinc/04/63/55/804046355.db2.gz GREDNGULFALZNY-VIFPVBQESA-N -1 0 312.413 -0.488 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)COC[C@@H]2CCCO2)cn1 ZINC000749220307 804047225 /nfs/dbraw/zinc/04/72/25/804047225.db2.gz VMZWKDUAGIAIDV-JTQLQIEISA-N -1 0 317.367 -0.097 20 0 DBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1cnn(CC)c1 ZINC000749229235 804047294 /nfs/dbraw/zinc/04/72/94/804047294.db2.gz YUBFSPVCZBAJCG-UHFFFAOYSA-N -1 0 305.356 -0.239 20 0 DBADRM COCCO[N-]C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000750070576 804056896 /nfs/dbraw/zinc/05/68/96/804056896.db2.gz JGIZKVARSHWYDC-JTQLQIEISA-N -1 0 301.324 -0.589 20 0 DBADRM CO[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000750392998 804060640 /nfs/dbraw/zinc/06/06/40/804060640.db2.gz ZKTVWYZSCYSYKW-SSDOTTSWSA-N -1 0 303.340 -0.646 20 0 DBADRM CCCCS(=O)(=O)[N-]C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000750389725 804060759 /nfs/dbraw/zinc/06/07/59/804060759.db2.gz CDTBQAVNEYXGKN-UHFFFAOYSA-N -1 0 317.371 -0.774 20 0 DBADRM CC[C@@](C)(NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(N)=O ZINC000750584187 804062699 /nfs/dbraw/zinc/06/26/99/804062699.db2.gz CKWQXFYRRHNUPC-CYBMUJFWSA-N -1 0 305.294 -0.180 20 0 DBADRM CC[C@](C)(NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(N)=O ZINC000750584188 804062893 /nfs/dbraw/zinc/06/28/93/804062893.db2.gz CKWQXFYRRHNUPC-ZDUSSCGKSA-N -1 0 305.294 -0.180 20 0 DBADRM Cc1ccn2cc(C(=O)[N-]S(=O)(=O)N3CCOCC3)nc2c1 ZINC000750731597 804064366 /nfs/dbraw/zinc/06/43/66/804064366.db2.gz MSSDQBAACBWUAW-UHFFFAOYSA-N -1 0 324.362 -0.050 20 0 DBADRM O=C(CCc1nccs1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750727151 804064575 /nfs/dbraw/zinc/06/45/75/804064575.db2.gz VIAUYUZDHQRTSD-UHFFFAOYSA-N -1 0 305.381 -0.231 20 0 DBADRM CCCc1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)[nH]n1 ZINC000750727260 804064610 /nfs/dbraw/zinc/06/46/10/804064610.db2.gz XEOLLSIUHYLCSF-UHFFFAOYSA-N -1 0 302.356 -0.331 20 0 DBADRM O=C(COc1ccc(F)cc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750732535 804064836 /nfs/dbraw/zinc/06/48/36/804064836.db2.gz VVLGQQWSWBULOX-UHFFFAOYSA-N -1 0 318.326 -0.102 20 0 DBADRM Cc1conc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035573543 814988997 /nfs/dbraw/zinc/98/89/97/814988997.db2.gz LPAWVJJGPULMEV-SECBINFHSA-N -1 0 322.325 -0.562 20 0 DBADRM CCC1N=NC(=S)N1CCNC(=O)c1cnc([O-])n(C)c1=O ZINC000751586755 804079042 /nfs/dbraw/zinc/07/90/42/804079042.db2.gz BEZNXMBVFRHNBV-UHFFFAOYSA-N -1 0 324.366 -0.642 20 0 DBADRM CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC000752727160 804092788 /nfs/dbraw/zinc/09/27/88/804092788.db2.gz VQQSZCOEVIOXSO-SNVBAGLBSA-N -1 0 309.322 -0.053 20 0 DBADRM COc1cc(NC(=O)CNC(=O)c2cc(=O)[nH][n-]2)cc(OC)c1 ZINC000752815152 804093847 /nfs/dbraw/zinc/09/38/47/804093847.db2.gz BMDOXANVDRXKMO-UHFFFAOYSA-N -1 0 320.305 -0.366 20 0 DBADRM C[C@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)NC(=O)C1CCCC1 ZINC000753945713 804113501 /nfs/dbraw/zinc/11/35/01/804113501.db2.gz TXFFBFGZHDOENJ-MRVPVSSYSA-N -1 0 319.383 -0.997 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ncc(C)cc1OC ZINC000753989391 804113627 /nfs/dbraw/zinc/11/36/27/804113627.db2.gz RTDKBYKPVGPAJF-UHFFFAOYSA-N -1 0 317.367 -0.049 20 0 DBADRM CCOc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1OC ZINC000753949260 804114200 /nfs/dbraw/zinc/11/42/00/804114200.db2.gz BJEGNUCNXKSGQX-UHFFFAOYSA-N -1 0 316.335 -0.361 20 0 DBADRM COc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc(OC)c1C ZINC000753951426 804114516 /nfs/dbraw/zinc/11/45/16/804114516.db2.gz TUTCVOIPUVKYRL-UHFFFAOYSA-N -1 0 316.335 -0.443 20 0 DBADRM CC(C)(C)OC1CC(CC(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000754004659 804115887 /nfs/dbraw/zinc/11/58/87/804115887.db2.gz HLNUGYUFHDXSGT-UHFFFAOYSA-N -1 0 306.384 -0.099 20 0 DBADRM CCN1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000754227439 804119007 /nfs/dbraw/zinc/11/90/07/804119007.db2.gz XYSDEULLDAOJKB-SNVBAGLBSA-N -1 0 304.354 -0.376 20 0 DBADRM Cc1noc(CCC(=O)[N-]S(=O)(=O)N2CCOCC2)n1 ZINC000754683669 804125223 /nfs/dbraw/zinc/12/52/23/804125223.db2.gz IXQQMBNUIHXXKQ-UHFFFAOYSA-N -1 0 304.328 -0.996 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)C2CCCC2)c(=O)[nH]c1=O ZINC000754745716 804126057 /nfs/dbraw/zinc/12/60/57/804126057.db2.gz NFPKSSQPCZLKTJ-UHFFFAOYSA-N -1 0 301.324 -0.512 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCOCC(F)(F)F ZINC000757318490 804161682 /nfs/dbraw/zinc/16/16/82/804161682.db2.gz XYUJPPUOECHNDS-UHFFFAOYSA-N -1 0 322.305 -0.105 20 0 DBADRM COC(=O)[C@H](CO)NC(=O)CSc1n[n-]c(=S)s1 ZINC000755861154 804141880 /nfs/dbraw/zinc/14/18/80/804141880.db2.gz BQOUALCHSJZALP-BYPYZUCNSA-N -1 0 309.394 -0.431 20 0 DBADRM C[C@H]1CN(C)C[C@H](C)N1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000756148178 804146394 /nfs/dbraw/zinc/14/63/94/804146394.db2.gz YWNYPWVNMBVZIR-UWVGGRQHSA-N -1 0 304.354 -0.378 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]1CCCO1 ZINC000757332770 804161699 /nfs/dbraw/zinc/16/16/99/804161699.db2.gz CMLMINANYQZOJI-WDEREUQCSA-N -1 0 324.399 -0.490 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnn2cccnc12 ZINC000757324061 804162127 /nfs/dbraw/zinc/16/21/27/804162127.db2.gz NFXDTLQUVUHFGE-UHFFFAOYSA-N -1 0 313.339 -0.718 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000757885054 804171271 /nfs/dbraw/zinc/17/12/71/804171271.db2.gz GILSSOZESHATRJ-LURJTMIESA-N -1 0 316.301 -0.253 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)OC ZINC000758525317 804189536 /nfs/dbraw/zinc/18/95/36/804189536.db2.gz MDVDNPGMPKKEOQ-QMMMGPOBSA-N -1 0 309.340 -0.415 20 0 DBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758579717 804190199 /nfs/dbraw/zinc/19/01/99/804190199.db2.gz NFWDDFYJLVGWSJ-UHFFFAOYSA-N -1 0 300.340 -0.412 20 0 DBADRM O=C(CCn1ccccc1=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758560924 804190852 /nfs/dbraw/zinc/19/08/52/804190852.db2.gz VNZYJNSVFFGKEB-UHFFFAOYSA-N -1 0 308.319 -0.467 20 0 DBADRM O=C(CN1CCSC1=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758560350 804191059 /nfs/dbraw/zinc/19/10/59/804191059.db2.gz GCEREXDLWIJSBW-UHFFFAOYSA-N -1 0 302.337 -0.550 20 0 DBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000759168913 804200456 /nfs/dbraw/zinc/20/04/56/804200456.db2.gz SRAWQJWBEMUCAJ-UHFFFAOYSA-N -1 0 300.336 -0.404 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1)C(=O)C1CC1 ZINC000759304503 804201322 /nfs/dbraw/zinc/20/13/22/804201322.db2.gz XBUABRDXOCMFBC-NSHDSACASA-N -1 0 318.395 -0.130 20 0 DBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C)s1 ZINC000759512644 804203803 /nfs/dbraw/zinc/20/38/03/804203803.db2.gz ZANADZHJYUWANP-UJURSFKZSA-N -1 0 304.353 -0.043 20 0 DBADRM CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759509943 804203810 /nfs/dbraw/zinc/20/38/10/804203810.db2.gz JCKFTPCJEHMMIQ-BYPYZUCNSA-N -1 0 308.341 -0.664 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)cn1 ZINC000759807925 804209909 /nfs/dbraw/zinc/20/99/09/804209909.db2.gz WYDLSCOROKIFLW-UHFFFAOYSA-N -1 0 315.351 -0.773 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccn(C)n2)cn1 ZINC000759830210 804210571 /nfs/dbraw/zinc/21/05/71/804210571.db2.gz DROANJMEVIMPLX-UHFFFAOYSA-N -1 0 310.335 -0.129 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cnc3nccnc3c2)cn1 ZINC000760180337 804221620 /nfs/dbraw/zinc/22/16/20/804221620.db2.gz BAZCNEKCVDYOBA-UHFFFAOYSA-N -1 0 318.318 -0.123 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cnc2nccnc2c1 ZINC000760218152 804222691 /nfs/dbraw/zinc/22/26/91/804222691.db2.gz OQCFEJFWIJRADG-UHFFFAOYSA-N -1 0 323.334 -0.668 20 0 DBADRM Cc1[n-]n(C)c(=O)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000760223378 804223206 /nfs/dbraw/zinc/22/32/06/804223206.db2.gz LBLUWAKASRNKSQ-JTQLQIEISA-N -1 0 310.335 -0.263 20 0 DBADRM COC[C@](C)(O)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760392345 804224335 /nfs/dbraw/zinc/22/43/35/804224335.db2.gz HIIUXRXJXYAOLG-SNVBAGLBSA-N -1 0 300.277 -0.043 20 0 DBADRM COC[C@@H](CCO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760450767 804224605 /nfs/dbraw/zinc/22/46/05/804224605.db2.gz VVWXUMLTMLTXQJ-SSDOTTSWSA-N -1 0 300.277 -0.043 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1nc2cc[nH]cc-2n1 ZINC000760722827 804227892 /nfs/dbraw/zinc/22/78/92/804227892.db2.gz QRCRSUKCDRAOFU-UHFFFAOYSA-N -1 0 310.277 -0.019 20 0 DBADRM COC(=O)[C@](C)(O)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760868617 804229513 /nfs/dbraw/zinc/22/95/13/804229513.db2.gz VNDWMVHZSSJWMJ-SNVBAGLBSA-N -1 0 314.260 -0.516 20 0 DBADRM COC[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(N)=O ZINC000760886612 804229559 /nfs/dbraw/zinc/22/95/59/804229559.db2.gz BZCXHIGEEABTEW-SECBINFHSA-N -1 0 322.346 -0.146 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1)C(N)=O ZINC000761244764 804237185 /nfs/dbraw/zinc/23/71/85/804237185.db2.gz SDTGESMBBYEGIK-LURJTMIESA-N -1 0 320.298 -0.559 20 0 DBADRM NS(=O)(=O)c1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000761853344 804242181 /nfs/dbraw/zinc/24/21/81/804242181.db2.gz OBDQRJNLCBLLRZ-UHFFFAOYSA-N -1 0 312.311 -0.521 20 0 DBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762136274 804244285 /nfs/dbraw/zinc/24/42/85/804244285.db2.gz DTXIMEHPCYUKEC-SECBINFHSA-N -1 0 308.356 -0.395 20 0 DBADRM NC(=O)c1csc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)c1 ZINC000762131116 804244919 /nfs/dbraw/zinc/24/49/19/804244919.db2.gz HXLBILWOTHZVTK-SSDOTTSWSA-N -1 0 318.376 -0.057 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccc(-n2nccn2)nc1 ZINC000762212881 804245367 /nfs/dbraw/zinc/24/53/67/804245367.db2.gz FJPSKKBKPRSTNU-UHFFFAOYSA-N -1 0 301.270 -0.192 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000762148576 804246064 /nfs/dbraw/zinc/24/60/64/804246064.db2.gz JJKUSRFCISSJNC-NXEZZACHSA-N -1 0 316.379 -0.520 20 0 DBADRM CCOc1ncccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763453172 804267612 /nfs/dbraw/zinc/26/76/12/804267612.db2.gz FQUDWPWDZJFQJC-UHFFFAOYSA-N -1 0 315.351 -0.324 20 0 DBADRM Cc1cc(C)n([C@@H](C)C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC000763458353 804268511 /nfs/dbraw/zinc/26/85/11/804268511.db2.gz PCVZUYKKQUEXMJ-JTQLQIEISA-N -1 0 316.383 -0.357 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CSc1ccncc1 ZINC000763457745 804268672 /nfs/dbraw/zinc/26/86/72/804268672.db2.gz NFDRNPSQSUSWHH-UHFFFAOYSA-N -1 0 317.392 -0.244 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000764155574 804279600 /nfs/dbraw/zinc/27/96/00/804279600.db2.gz JPQMEYDNECMOLG-LURJTMIESA-N -1 0 306.365 -0.059 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2 ZINC000764190119 804280241 /nfs/dbraw/zinc/28/02/41/804280241.db2.gz WVHXYXXQRHCAGR-QMMMGPOBSA-N -1 0 303.340 -0.240 20 0 DBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C ZINC000764205844 804280726 /nfs/dbraw/zinc/28/07/26/804280726.db2.gz FEEGODUWDSRAOW-JGVFFNPUSA-N -1 0 322.412 -0.223 20 0 DBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)CN1CCOCC1 ZINC000764311225 804282054 /nfs/dbraw/zinc/28/20/54/804282054.db2.gz QXEONMDREKYZNJ-UHFFFAOYSA-N -1 0 308.400 -0.420 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@]12CCOC2 ZINC000764773258 804287738 /nfs/dbraw/zinc/28/77/38/804287738.db2.gz OTUVXOIROARQCY-CABZTGNLSA-N -1 0 305.352 -0.188 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000764753772 804288050 /nfs/dbraw/zinc/28/80/50/804288050.db2.gz FWSQDVYJSNOGKC-UHFFFAOYSA-N -1 0 300.292 -0.779 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC000764757103 804288249 /nfs/dbraw/zinc/28/82/49/804288249.db2.gz FEUDOOLHFHUTBI-UHFFFAOYSA-N -1 0 311.319 -0.090 20 0 DBADRM COc1cc(OC)cc(C(=O)NCC(=O)[N-]S(C)(=O)=O)c1 ZINC000764754478 804288294 /nfs/dbraw/zinc/28/82/94/804288294.db2.gz VJAKADZMIRUYQT-UHFFFAOYSA-N -1 0 316.335 -0.491 20 0 DBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000764760884 804288411 /nfs/dbraw/zinc/28/84/11/804288411.db2.gz PQHDECZDKHBSQD-UHFFFAOYSA-N -1 0 305.743 -0.183 20 0 DBADRM COc1cccc(CS(=O)(=O)[N-]C(=O)CNC(C)=O)c1 ZINC000764808425 804289601 /nfs/dbraw/zinc/28/96/01/804289601.db2.gz GNMXKXTXFPVNPE-UHFFFAOYSA-N -1 0 300.336 -0.223 20 0 DBADRM Cc1c(Br)cc(C(=O)[N-]OCC(N)=O)c(=O)n1C ZINC000765480370 804301288 /nfs/dbraw/zinc/30/12/88/804301288.db2.gz LPXPOMZAQBPDMG-UHFFFAOYSA-N -1 0 318.127 -0.397 20 0 DBADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC000765607286 804304649 /nfs/dbraw/zinc/30/46/49/804304649.db2.gz KRDJTYMVCVMEBC-JTQLQIEISA-N -1 0 324.362 -0.211 20 0 DBADRM COc1c(C(=O)[N-]S(=O)(=O)c2ccnn2C)c(C)nn1C ZINC000765657950 804305549 /nfs/dbraw/zinc/30/55/49/804305549.db2.gz OGPTZMLBJAMCSY-UHFFFAOYSA-N -1 0 313.339 -0.411 20 0 DBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765657915 804305882 /nfs/dbraw/zinc/30/58/82/804305882.db2.gz MUOOXFGHVOGQQL-SECBINFHSA-N -1 0 305.356 -0.333 20 0 DBADRM CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765661170 804305992 /nfs/dbraw/zinc/30/59/92/804305992.db2.gz DZLKRIWIONYGMX-UHFFFAOYSA-N -1 0 316.383 -0.126 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000765867337 804307857 /nfs/dbraw/zinc/30/78/57/804307857.db2.gz XRZYTXJKPROFHD-UHFFFAOYSA-N -1 0 304.281 -0.123 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cccn3c(=O)[nH]nc23)cn1 ZINC000766273746 804314777 /nfs/dbraw/zinc/31/47/77/804314777.db2.gz AWEWVJKKXRBNFN-UHFFFAOYSA-N -1 0 322.306 -0.713 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)Cc1cccnc1)C(=O)C1CC1 ZINC000766897544 804320102 /nfs/dbraw/zinc/32/01/02/804320102.db2.gz NYLLKEQWSYKCEH-UHFFFAOYSA-N -1 0 311.363 -0.104 20 0 DBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccnc2)CC1=O ZINC000766904150 804320351 /nfs/dbraw/zinc/32/03/51/804320351.db2.gz HTZROWHVPBLEJJ-LLVKDONJSA-N -1 0 311.363 -0.104 20 0 DBADRM COc1ccc(OC)c(CC(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766911547 804320911 /nfs/dbraw/zinc/32/09/11/804320911.db2.gz XUUGBYGHBIWNQG-UHFFFAOYSA-N -1 0 316.335 -0.822 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)C1(C(=O)OC)CC1 ZINC000766878642 804320930 /nfs/dbraw/zinc/32/09/30/804320930.db2.gz OEJFFVHSNQFKBM-UHFFFAOYSA-N -1 0 309.340 -0.951 20 0 DBADRM CC(C)Cc1nc(C(=O)[N-]S(=O)(=O)CC(N)=O)cs1 ZINC000766911712 804320939 /nfs/dbraw/zinc/32/09/39/804320939.db2.gz ZVSFPWZKQIZRIG-UHFFFAOYSA-N -1 0 305.381 -0.114 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)c(C(C)(C)C)n1 ZINC000766915325 804321398 /nfs/dbraw/zinc/32/13/98/804321398.db2.gz HCHMHVWUWOTTMV-UHFFFAOYSA-N -1 0 302.356 -0.738 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000766915224 804321449 /nfs/dbraw/zinc/32/14/49/804321449.db2.gz GMXRDSAAKTVALS-UHFFFAOYSA-N -1 0 322.346 -0.654 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(OCC(F)F)n1 ZINC000766915193 804321461 /nfs/dbraw/zinc/32/14/61/804321461.db2.gz GGOXJVIKNYQOQP-UHFFFAOYSA-N -1 0 323.277 -0.730 20 0 DBADRM COc1c(C)cc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1C ZINC000766919221 804321538 /nfs/dbraw/zinc/32/15/38/804321538.db2.gz BRBPRUXSLYWDPA-UHFFFAOYSA-N -1 0 300.336 -0.143 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C[C@H]1OCCc2ccccc21 ZINC000766920253 804321630 /nfs/dbraw/zinc/32/16/30/804321630.db2.gz FLRJHMQZGCDSJW-LLVKDONJSA-N -1 0 312.347 -0.378 20 0 DBADRM CC(C)(C)c1nc(CC(=O)[N-]S(=O)(=O)CC(N)=O)cs1 ZINC000766920560 804321696 /nfs/dbraw/zinc/32/16/96/804321696.db2.gz CGGNBVMZBIVYAS-UHFFFAOYSA-N -1 0 319.408 -0.086 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCc1cc(F)ccc1F ZINC000766919429 804321723 /nfs/dbraw/zinc/32/17/23/804321723.db2.gz CUEBVNCTPCYHKA-UHFFFAOYSA-N -1 0 306.290 -0.171 20 0 DBADRM Cc1c(C(=O)[N-]S(=O)(=O)CC(N)=O)cnn1CC(C)C ZINC000766920457 804321828 /nfs/dbraw/zinc/32/18/28/804321828.db2.gz BAPULYDYZIWYJO-UHFFFAOYSA-N -1 0 302.356 -0.608 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccccc1Br ZINC000766924648 804322570 /nfs/dbraw/zinc/32/25/70/804322570.db2.gz WUYFWDOAALDKBE-UHFFFAOYSA-N -1 0 321.152 -0.006 20 0 DBADRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)CC(N)=O)c(C)c1 ZINC000766923671 804322945 /nfs/dbraw/zinc/32/29/45/804322945.db2.gz PYJUAJMHWPMCLS-UHFFFAOYSA-N -1 0 300.336 -0.386 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)c(-c2ccccc2)n1 ZINC000766927075 804323124 /nfs/dbraw/zinc/32/31/24/804323124.db2.gz LNJITXHPYMRYAX-UHFFFAOYSA-N -1 0 322.346 -0.368 20 0 DBADRM CC(C)Oc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cn1 ZINC000766929604 804323958 /nfs/dbraw/zinc/32/39/58/804323958.db2.gz NKNWPZUQYMGNCA-UHFFFAOYSA-N -1 0 301.324 -0.586 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCC(=O)c1cccs1 ZINC000766929171 804324141 /nfs/dbraw/zinc/32/41/41/804324141.db2.gz ZTFKWKTZWUKXDM-UHFFFAOYSA-N -1 0 304.349 -0.358 20 0 DBADRM CCc1c(C(=O)[N-]S(=O)(=O)CC(N)=O)cnn1C(C)(C)C ZINC000766930109 804324232 /nfs/dbraw/zinc/32/42/32/804324232.db2.gz WBPFHAWEYGCEMH-UHFFFAOYSA-N -1 0 316.383 -0.255 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)COc1cccc(Cl)c1 ZINC000766928323 804324404 /nfs/dbraw/zinc/32/44/04/804324404.db2.gz SKAOJKQJZCCIMD-UHFFFAOYSA-N -1 0 306.727 -0.350 20 0 DBADRM C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)c1c(F)cccc1F ZINC000766929855 804324421 /nfs/dbraw/zinc/32/44/21/804324421.db2.gz UJKNDGLWHVXWCX-LURJTMIESA-N -1 0 306.290 0.000 20 0 DBADRM Cc1cnc(C(=O)NCCNC(=O)c2cnc[nH]c2=O)cn1 ZINC001282892836 804329603 /nfs/dbraw/zinc/32/96/03/804329603.db2.gz BRWXMJQQLYBBFV-UHFFFAOYSA-N -1 0 302.294 -0.560 20 0 DBADRM Cc1nc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)sc1C ZINC000767842146 804334932 /nfs/dbraw/zinc/33/49/32/804334932.db2.gz FPBPOKHNKAVETM-UHFFFAOYSA-N -1 0 304.353 -0.153 20 0 DBADRM CN1C(=O)CN([N-]S(=O)(=O)c2cncc(Cl)c2)C1=O ZINC000767844930 804335314 /nfs/dbraw/zinc/33/53/14/804335314.db2.gz XFSCMCINEQPORM-UHFFFAOYSA-N -1 0 304.715 -0.178 20 0 DBADRM CCc1ncc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)s1 ZINC000767842296 804335466 /nfs/dbraw/zinc/33/54/66/804335466.db2.gz HHTGRVDHNHAFOE-UHFFFAOYSA-N -1 0 304.353 -0.207 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)c1cc(OC(F)F)n(C)n1 ZINC000767983912 804336752 /nfs/dbraw/zinc/33/67/52/804336752.db2.gz SAAANWGNRTXQNX-UHFFFAOYSA-N -1 0 313.282 -0.273 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C ZINC000768207528 804337629 /nfs/dbraw/zinc/33/76/29/804337629.db2.gz ABSNMJLTYRJDBA-UHFFFAOYSA-N -1 0 324.399 -0.742 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1C ZINC000768213478 804337644 /nfs/dbraw/zinc/33/76/44/804337644.db2.gz VCMBOKFCTZLNDC-UHFFFAOYSA-N -1 0 319.383 -0.240 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)C1(C)CCOCC1 ZINC000768212871 804337862 /nfs/dbraw/zinc/33/78/62/804337862.db2.gz ZZZCEURODKKGCP-UHFFFAOYSA-N -1 0 309.384 -0.088 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)CCOCCOC ZINC000768221252 804337934 /nfs/dbraw/zinc/33/79/34/804337934.db2.gz YHJXLEFSTHBERT-VIFPVBQESA-N -1 0 310.372 -0.990 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cnn(C)c1C ZINC000768218879 804338093 /nfs/dbraw/zinc/33/80/93/804338093.db2.gz LPBCEUQFIVZIIU-UHFFFAOYSA-N -1 0 305.356 -0.549 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(OC)nc1 ZINC000768225415 804338282 /nfs/dbraw/zinc/33/82/82/804338282.db2.gz DMHHUNIRISCLPM-UHFFFAOYSA-N -1 0 318.351 -0.187 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1cccc(C(F)(F)F)c1=O)C(=O)[O-] ZINC000769746371 804351894 /nfs/dbraw/zinc/35/18/94/804351894.db2.gz HCPTULBYDDNESI-LLVKDONJSA-N -1 0 322.239 -0.181 20 0 DBADRM C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000769743120 804352027 /nfs/dbraw/zinc/35/20/27/804352027.db2.gz KZGPCLZCQLQNLB-CYBMUJFWSA-N -1 0 308.269 -0.028 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(C(=O)NC)nc2)C1=O ZINC000769831530 804353922 /nfs/dbraw/zinc/35/39/22/804353922.db2.gz BDJYBCSETRILCX-AWEZNQCLSA-N -1 0 319.321 -0.194 20 0 DBADRM O=C([C@H]1CCOC1)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001035662947 815011889 /nfs/dbraw/zinc/01/18/89/815011889.db2.gz GJFPXDXBDUTUDX-NSHDSACASA-N -1 0 321.381 -0.029 20 0 DBADRM CC1(C)C(C(=O)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1(C)C ZINC001282961031 804359567 /nfs/dbraw/zinc/35/95/67/804359567.db2.gz CUBDMLHXIOMXOM-UHFFFAOYSA-N -1 0 323.353 -0.189 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000770207055 804359578 /nfs/dbraw/zinc/35/95/78/804359578.db2.gz KFOZBNVMELZSOB-MRVPVSSYSA-N -1 0 316.383 -0.069 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCNC(=O)CC1CCC1 ZINC001282959443 804360071 /nfs/dbraw/zinc/36/00/71/804360071.db2.gz KOFIUFADFLEQLY-UHFFFAOYSA-N -1 0 323.353 -0.362 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000770187126 804360107 /nfs/dbraw/zinc/36/01/07/804360107.db2.gz SYLKUAVVMGMJDR-UHFFFAOYSA-N -1 0 316.383 -0.067 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cn(Cc3cccs3)nn2)C1=O ZINC000770453225 804363850 /nfs/dbraw/zinc/36/38/50/804363850.db2.gz ALKCLNRRZSMCIM-UHFFFAOYSA-N -1 0 320.334 -0.073 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)c1cc(=O)[n-]c(OC)n1 ZINC000770511673 804364764 /nfs/dbraw/zinc/36/47/64/804364764.db2.gz RQMDEXHSGWZBFI-UHFFFAOYSA-N -1 0 313.266 -0.973 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001282975295 804365331 /nfs/dbraw/zinc/36/53/31/804365331.db2.gz QZMIWRUOTJNLBO-QMMMGPOBSA-N -1 0 311.342 -0.816 20 0 DBADRM COCCCNC(=O)[C@@H](C)OC(=O)c1cc(=O)[n-]c(OC)n1 ZINC000770523920 804365650 /nfs/dbraw/zinc/36/56/50/804365650.db2.gz WHPWHXLYSJVFHI-MRVPVSSYSA-N -1 0 313.310 -0.111 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000770622180 804367348 /nfs/dbraw/zinc/36/73/48/804367348.db2.gz CMFHKYFYHQIAOB-VIFPVBQESA-N -1 0 303.384 -0.300 20 0 DBADRM C[C@@H]1[C@@H](C)N(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCN1C ZINC000771399363 804375359 /nfs/dbraw/zinc/37/53/59/804375359.db2.gz VACJEPOFQZCMKU-NXEZZACHSA-N -1 0 304.354 -0.378 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1C ZINC000771520094 804376007 /nfs/dbraw/zinc/37/60/07/804376007.db2.gz SNXZNZGATZTZOM-VXNVDRBHSA-N -1 0 317.367 -0.014 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1 ZINC000771523951 804376768 /nfs/dbraw/zinc/37/67/68/804376768.db2.gz KFJVMVXFGGALON-HTQZYQBOSA-N -1 0 303.340 -0.323 20 0 DBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc3c(c2)C(=O)NCC3)c1[O-] ZINC000772023046 804383491 /nfs/dbraw/zinc/38/34/91/804383491.db2.gz DFWFZQWQZJLUIN-LLVKDONJSA-N -1 0 317.301 -0.040 20 0 DBADRM CCOCCO[N-]C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000772692001 804390427 /nfs/dbraw/zinc/39/04/27/804390427.db2.gz OGMKFYWXKTURJQ-UHFFFAOYSA-N -1 0 320.371 -0.909 20 0 DBADRM NC(=O)CO[N-]C(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000772940305 804394509 /nfs/dbraw/zinc/39/45/09/804394509.db2.gz ZLMCEJWEMBIQOZ-UHFFFAOYSA-N -1 0 307.306 -0.053 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCN(C(=O)CC)C1 ZINC000772979318 804395016 /nfs/dbraw/zinc/39/50/16/804395016.db2.gz FLUVTFSOQFNDAF-JTQLQIEISA-N -1 0 306.384 -0.273 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)N(C)C(C)C)C1 ZINC000772979563 804395228 /nfs/dbraw/zinc/39/52/28/804395228.db2.gz HXLIDQZCDREGJA-JTQLQIEISA-N -1 0 305.400 -0.054 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)N(C)CCOC)C1 ZINC000772994471 804395736 /nfs/dbraw/zinc/39/57/36/804395736.db2.gz CNAQTUBCPMJBST-JTQLQIEISA-N -1 0 321.399 -0.816 20 0 DBADRM COC(=O)N(C)CC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000773156717 804397006 /nfs/dbraw/zinc/39/70/06/804397006.db2.gz CPVSTWOMLJEZJZ-ZETCQYMHSA-N -1 0 300.344 -0.486 20 0 DBADRM CC(=O)C[C@@H]1COCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000773880694 804408458 /nfs/dbraw/zinc/40/84/58/804408458.db2.gz GOQNFAHZMAGDLQ-SNVBAGLBSA-N -1 0 319.321 -0.722 20 0 DBADRM CC(C)(C)C(=O)NCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001283087698 804410087 /nfs/dbraw/zinc/41/00/87/804410087.db2.gz YFUYDOHBAXFJBP-UHFFFAOYSA-N -1 0 313.358 -0.252 20 0 DBADRM CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)[N-]S(C)(=O)=O ZINC000774032416 804412260 /nfs/dbraw/zinc/41/22/60/804412260.db2.gz ZYLCCOAZAVCXQH-MRVPVSSYSA-N -1 0 310.372 -0.008 20 0 DBADRM O=C(CCCCc1c[nH]nn1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000774097923 804415496 /nfs/dbraw/zinc/41/54/96/804415496.db2.gz USOVYVGNDFVDJW-JTQLQIEISA-N -1 0 302.356 -0.248 20 0 DBADRM CCn1cc(S(=O)(=O)[N-]C(=O)Cc2ccnn2C)nc1C ZINC000774167909 804416792 /nfs/dbraw/zinc/41/67/92/804416792.db2.gz YSCSTXNCWWDVQU-UHFFFAOYSA-N -1 0 311.367 -0.007 20 0 DBADRM COc1ccc(F)cc1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000774368281 804421814 /nfs/dbraw/zinc/42/18/14/804421814.db2.gz CDBFQSCIQDZOHL-UHFFFAOYSA-N -1 0 304.299 -0.692 20 0 DBADRM CC1(C)CC[C@H]1C(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001283128129 804424824 /nfs/dbraw/zinc/42/48/24/804424824.db2.gz WPUOEEXGJCDWOM-ZETCQYMHSA-N -1 0 309.326 -0.435 20 0 DBADRM O=C(COc1ccccc1)NCC(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774873538 804432671 /nfs/dbraw/zinc/43/26/71/804432671.db2.gz PCYLJLATEWQRJT-UHFFFAOYSA-N -1 0 306.278 -0.251 20 0 DBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)OCc2n[nH]c(=O)[n-]2)C1=O ZINC000774887818 804432688 /nfs/dbraw/zinc/43/26/88/804432688.db2.gz HLOVTBAVBBNIHH-GFCCVEGCSA-N -1 0 309.282 -0.726 20 0 DBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774922669 804434293 /nfs/dbraw/zinc/43/42/93/804434293.db2.gz CRGGTUIMZHLVDT-ZETCQYMHSA-N -1 0 304.328 -0.632 20 0 DBADRM Cc1cc(S(N)(=O)=O)sc1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774936758 804434336 /nfs/dbraw/zinc/43/43/36/804434336.db2.gz ZCGFDVIFZSBXQC-UHFFFAOYSA-N -1 0 318.336 -0.115 20 0 DBADRM NS(=O)(=O)Cc1cccc(C(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000774940255 804434349 /nfs/dbraw/zinc/43/43/49/804434349.db2.gz WNQFKLPTDSTAPC-UHFFFAOYSA-N -1 0 312.307 -0.344 20 0 DBADRM NS(=O)(=O)Cc1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000774932045 804434506 /nfs/dbraw/zinc/43/45/06/804434506.db2.gz DXUGTYNEQUVWDT-UHFFFAOYSA-N -1 0 312.307 -0.344 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCCN1CCCCCC1=O ZINC000775098557 804438627 /nfs/dbraw/zinc/43/86/27/804438627.db2.gz ZPBBQSQZNCGBNY-UHFFFAOYSA-N -1 0 315.370 -0.411 20 0 DBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000775308891 804439852 /nfs/dbraw/zinc/43/98/52/804439852.db2.gz MVSZOBMMAPMIML-UHFFFAOYSA-N -1 0 321.332 -0.735 20 0 DBADRM CN1CC[C@H](C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)C1=O ZINC000776123613 804449848 /nfs/dbraw/zinc/44/98/48/804449848.db2.gz VUVMPFHJMUPRFN-MNOVXSKESA-N -1 0 300.322 -0.116 20 0 DBADRM COC(=O)C1=NOC2(C1)CCN(C(=O)c1cc(=O)[nH][n-]1)CC2 ZINC000776196887 804450810 /nfs/dbraw/zinc/45/08/10/804450810.db2.gz KJMZWXCCEQRDOU-UHFFFAOYSA-N -1 0 308.294 -0.827 20 0 DBADRM COc1ccccc1[C@](N)(C(=O)[N-]OCC(N)=O)C(F)(F)F ZINC000776185215 804450997 /nfs/dbraw/zinc/45/09/97/804450997.db2.gz QDZSZMASDVWORO-NSHDSACASA-N -1 0 321.255 -0.055 20 0 DBADRM CCC[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776444817 804455349 /nfs/dbraw/zinc/45/53/49/804455349.db2.gz WWQUETBGSLFJFR-SNVBAGLBSA-N -1 0 322.383 -0.087 20 0 DBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)c1cn2c(n1)CCCC2 ZINC000776459098 804455654 /nfs/dbraw/zinc/45/56/54/804455654.db2.gz SGCXDIJZFAPSBO-QMMMGPOBSA-N -1 0 303.340 -0.667 20 0 DBADRM COc1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cnc1Cl ZINC000776445457 804456017 /nfs/dbraw/zinc/45/60/17/804456017.db2.gz WVZGWQKWRFOAHB-ZCFIWIBFSA-N -1 0 310.715 -0.533 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000776535068 804457161 /nfs/dbraw/zinc/45/71/61/804457161.db2.gz XWPYYNGTLBCYMB-WDEREUQCSA-N -1 0 309.384 -0.090 20 0 DBADRM COCC[C@@H](NS(=O)(=O)c1cnc(Cl)n1C)C(=O)[O-] ZINC000776502310 804457168 /nfs/dbraw/zinc/45/71/68/804457168.db2.gz BXCWXMZPQOOQCG-ZCFIWIBFSA-N -1 0 311.747 -0.159 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)C[C@@H]1CCOC1)C1CCOCC1 ZINC000776523371 804457175 /nfs/dbraw/zinc/45/71/75/804457175.db2.gz CHCFQZWMUQGBEH-KOLCDFICSA-N -1 0 307.368 -0.178 20 0 DBADRM O=C(CNC(=O)c1n[n-]c2ccccc2c1=O)N1CCOCC1 ZINC000776500632 804457289 /nfs/dbraw/zinc/45/72/89/804457289.db2.gz IEGMXSPUQMVGOL-UHFFFAOYSA-N -1 0 316.317 -0.076 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1cccc2c1COC2=O ZINC000776586300 804459560 /nfs/dbraw/zinc/45/95/60/804459560.db2.gz BAMIAOWYVJGPNL-UHFFFAOYSA-N -1 0 315.303 -0.264 20 0 DBADRM Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)[N-]OCCO ZINC000776581072 804459717 /nfs/dbraw/zinc/45/97/17/804459717.db2.gz CLEFIHXMLJPZOO-LBPRGKRZSA-N -1 0 309.301 -0.055 20 0 DBADRM CC1(C)C[C@H]1C(=O)NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001283226460 804459846 /nfs/dbraw/zinc/45/98/46/804459846.db2.gz MAURHPBYCPVMOL-ZETCQYMHSA-N -1 0 309.326 -0.435 20 0 DBADRM CCN(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1 ZINC000776601131 804460398 /nfs/dbraw/zinc/46/03/98/804460398.db2.gz LAMPOIZUYQVHHQ-QWRGUYRKSA-N -1 0 302.352 -0.041 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)c1c[nH]cn1)[C@@H](O)c1ccccc1 ZINC000776600876 804460442 /nfs/dbraw/zinc/46/04/42/804460442.db2.gz VMTWFYFTQQBSCE-MNOVXSKESA-N -1 0 311.319 -0.125 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])c1 ZINC000776603571 804460646 /nfs/dbraw/zinc/46/06/46/804460646.db2.gz XGGQQAFWWMEDPU-JTQLQIEISA-N -1 0 317.367 -0.032 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000776612001 804460758 /nfs/dbraw/zinc/46/07/58/804460758.db2.gz CBGRWQBWJWMPGV-ZJUUUORDSA-N -1 0 304.368 -0.039 20 0 DBADRM O=C([O-])[C@@H](CC1CCOCC1)NS(=O)(=O)N1CCOCC1 ZINC000776600008 804460783 /nfs/dbraw/zinc/46/07/83/804460783.db2.gz DJOHECDHYUHDGQ-LLVKDONJSA-N -1 0 322.383 -0.577 20 0 DBADRM O=C([O-])[C@@H](NS(=O)(=O)NC1CC1)[C@@H](O)c1ccccc1 ZINC000776603258 804460819 /nfs/dbraw/zinc/46/08/19/804460819.db2.gz OLFIUCKDQBILBN-QWRGUYRKSA-N -1 0 300.336 -0.240 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000776647460 804461734 /nfs/dbraw/zinc/46/17/34/804461734.db2.gz FWPKEMVJGDBLFR-SECBINFHSA-N -1 0 310.397 -0.199 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)N(CCO)CCC(=O)[O-] ZINC000776680644 804461777 /nfs/dbraw/zinc/46/17/77/804461777.db2.gz BKSIRTSWMBKVSK-UHFFFAOYSA-N -1 0 310.372 -0.889 20 0 DBADRM CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000776679752 804461792 /nfs/dbraw/zinc/46/17/92/804461792.db2.gz QFMRTOMHQDFIAM-MRVPVSSYSA-N -1 0 301.386 -0.456 20 0 DBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc(Cl)n1C ZINC000776702444 804461948 /nfs/dbraw/zinc/46/19/48/804461948.db2.gz ZUJFCAMYAQJWBE-ZCFIWIBFSA-N -1 0 311.747 -0.206 20 0 DBADRM CC(C)c1nc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c[nH]1 ZINC000776681297 804462014 /nfs/dbraw/zinc/46/20/14/804462014.db2.gz PRYRSUOQIYAMAJ-SFYZADRCSA-N -1 0 303.340 -0.258 20 0 DBADRM Cn1cnc(S(=O)(=O)N(CCO)CCC(=O)[O-])c1Cl ZINC000776680949 804462113 /nfs/dbraw/zinc/46/21/13/804462113.db2.gz SESCNQWPFQXMEL-UHFFFAOYSA-N -1 0 311.747 -0.469 20 0 DBADRM CC(C)N(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000776712964 804462124 /nfs/dbraw/zinc/46/21/24/804462124.db2.gz RVCLESYNJKJIFR-DTWKUNHWSA-N -1 0 307.372 -0.778 20 0 DBADRM Cc1cc(C(=O)COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)on1 ZINC000777052092 804465570 /nfs/dbraw/zinc/46/55/70/804465570.db2.gz AEDCPKKPBKEIJN-UHFFFAOYSA-N -1 0 317.261 -0.206 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OC)cc1 ZINC000777344034 804470084 /nfs/dbraw/zinc/47/00/84/804470084.db2.gz HRFGNRGORLZQHL-QMMMGPOBSA-N -1 0 300.336 -0.114 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777908590 804477712 /nfs/dbraw/zinc/47/77/12/804477712.db2.gz ZWCNQVJMOIUMPS-UHFFFAOYSA-N -1 0 303.340 -0.327 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1noc(C)n1 ZINC000778086833 804479045 /nfs/dbraw/zinc/47/90/45/804479045.db2.gz WDBVSOMDKTVVAR-UHFFFAOYSA-N -1 0 301.284 -0.003 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)c2ccnn2C)c(C)nn1C ZINC000778835698 804489156 /nfs/dbraw/zinc/48/91/56/804489156.db2.gz KHABGJIETGUCEQ-UHFFFAOYSA-N -1 0 313.339 -0.411 20 0 DBADRM CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC ZINC000778848653 804489965 /nfs/dbraw/zinc/48/99/65/804489965.db2.gz OYMQRBBCYKHJDW-DTWKUNHWSA-N -1 0 317.367 -0.033 20 0 DBADRM COCC1(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2OC)CC1 ZINC000778850102 804490094 /nfs/dbraw/zinc/49/00/94/804490094.db2.gz PTWVXKWWNSATGF-UHFFFAOYSA-N -1 0 317.367 -0.031 20 0 DBADRM CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC ZINC000778848654 804490123 /nfs/dbraw/zinc/49/01/23/804490123.db2.gz OYMQRBBCYKHJDW-IUCAKERBSA-N -1 0 317.367 -0.033 20 0 DBADRM CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC ZINC000778848655 804490152 /nfs/dbraw/zinc/49/01/52/804490152.db2.gz OYMQRBBCYKHJDW-RKDXNWHRSA-N -1 0 317.367 -0.033 20 0 DBADRM COc1c(S(=O)(=O)[N-]C(=O)C2=COCC2)c(C)nn1C ZINC000778848840 804490274 /nfs/dbraw/zinc/49/02/74/804490274.db2.gz OTDAHQZNOFORCM-UHFFFAOYSA-N -1 0 301.324 -0.154 20 0 DBADRM CN(CCOCCNC(=O)[C@H]1CCOC1)Cc1n[nH]c(=O)[n-]1 ZINC001283359730 804492247 /nfs/dbraw/zinc/49/22/47/804492247.db2.gz MHDSVAIOKGYGGN-JTQLQIEISA-N -1 0 313.358 -0.889 20 0 DBADRM COCC1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000779189060 804495169 /nfs/dbraw/zinc/49/51/69/804495169.db2.gz ITSCGXKKZDZXAK-UHFFFAOYSA-N -1 0 315.351 -0.645 20 0 DBADRM O=C(CN1CCOCC1)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000779186468 804495395 /nfs/dbraw/zinc/49/53/95/804495395.db2.gz XDFFBWPNFDEAEH-ZDUSSCGKSA-N -1 0 302.338 -0.263 20 0 DBADRM O=C(CN1CCS(=O)(=O)CC1)[N-]OCCC(F)(F)F ZINC000779324802 804496444 /nfs/dbraw/zinc/49/64/44/804496444.db2.gz DKMQXCGNIYBLQQ-UHFFFAOYSA-N -1 0 304.290 -0.283 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CCOC[C@@H]3CCCO3)C2)nn1 ZINC000780319142 804513871 /nfs/dbraw/zinc/51/38/71/804513871.db2.gz MESQLHDJQVIBDD-NSHDSACASA-N -1 0 324.337 -0.055 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc(C(=O)OC)cn1 ZINC000780373709 804514829 /nfs/dbraw/zinc/51/48/29/804514829.db2.gz KEYPCYPUFSWFIA-SSDOTTSWSA-N -1 0 317.323 -0.642 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CSCCS1 ZINC000780389034 804515110 /nfs/dbraw/zinc/51/51/10/804515110.db2.gz WWTMCKZDJOZRSZ-MRVPVSSYSA-N -1 0 312.438 -0.472 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)NCCN1CCOC(C)(C)C1 ZINC000780509860 804516477 /nfs/dbraw/zinc/51/64/77/804516477.db2.gz CJCHTFYEJZCTIM-UHFFFAOYSA-N -1 0 317.386 -0.160 20 0 DBADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)no1 ZINC000780620475 804517415 /nfs/dbraw/zinc/51/74/15/804517415.db2.gz PTFIURFZIXTQFK-VIFPVBQESA-N -1 0 304.324 -0.013 20 0 DBADRM CCN(CC(=O)[O-])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000780570782 804517861 /nfs/dbraw/zinc/51/78/61/804517861.db2.gz LUIPFKUXZZTVJN-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM C[C@H](NC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)C(=O)[O-] ZINC000780651783 804518626 /nfs/dbraw/zinc/51/86/26/804518626.db2.gz YBGNECCZHJOKKN-QMMMGPOBSA-N -1 0 319.383 -0.285 20 0 DBADRM CC[C@H](NC(=O)N[C@H]1CCc2nc(COC)nn2C1)C(=O)[O-] ZINC000780655024 804518672 /nfs/dbraw/zinc/51/86/72/804518672.db2.gz HARSKDZWMHSXDR-IUCAKERBSA-N -1 0 311.342 -0.098 20 0 DBADRM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)C(N)=O ZINC000781045590 804524408 /nfs/dbraw/zinc/52/44/08/804524408.db2.gz GNJRSDZVJAMGIM-LURJTMIESA-N -1 0 306.347 -0.174 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)on1 ZINC000781466114 804528387 /nfs/dbraw/zinc/52/83/87/804528387.db2.gz KDIZFEAKUITSFD-ZETCQYMHSA-N -1 0 318.307 -0.443 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnccn2)on1 ZINC000781459939 804528609 /nfs/dbraw/zinc/52/86/09/804528609.db2.gz JGAXTXLRWVCZNS-UHFFFAOYSA-N -1 0 312.263 -0.630 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(=O)OC)no1 ZINC000781453414 804528636 /nfs/dbraw/zinc/52/86/36/804528636.db2.gz FMNMLFDTYCNNOD-ZCFIWIBFSA-N -1 0 306.296 -0.444 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@]1(C)CCCOC1 ZINC000781466110 804528707 /nfs/dbraw/zinc/52/87/07/804528707.db2.gz BEBPIHFKFQWPFR-GFCCVEGCSA-N -1 0 309.384 -0.088 20 0 DBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)N(C)C(C)C)on1 ZINC000781455432 804529140 /nfs/dbraw/zinc/52/91/40/804529140.db2.gz BMPHBEKLKDYJIR-UHFFFAOYSA-N -1 0 305.312 -0.224 20 0 DBADRM O=C(COC1CCOCC1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781501231 804529577 /nfs/dbraw/zinc/52/95/77/804529577.db2.gz SMCUPWNRSOQWSX-NSHDSACASA-N -1 0 307.368 -0.193 20 0 DBADRM Cn1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)ccc1=O ZINC000781498017 804529643 /nfs/dbraw/zinc/52/96/43/804529643.db2.gz LQSOGHDXUVPGGZ-JTQLQIEISA-N -1 0 300.336 -0.376 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)/C=C\c1ccncn1 ZINC000781508139 804529828 /nfs/dbraw/zinc/52/98/28/804529828.db2.gz PQXXYZRUQNFDQF-ARJAWSKDSA-N -1 0 300.340 -0.571 20 0 DBADRM CC(=O)[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)C1(C)C ZINC000781489173 804529846 /nfs/dbraw/zinc/52/98/46/804529846.db2.gz WHIOSRLBQGDKJW-WDEREUQCSA-N -1 0 318.395 -0.069 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000781513389 804529904 /nfs/dbraw/zinc/52/99/04/804529904.db2.gz ZAZWQLDYRHLCTD-VIFPVBQESA-N -1 0 305.352 -0.045 20 0 DBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1cnn2cccnc12 ZINC000781510046 804530008 /nfs/dbraw/zinc/53/00/08/804530008.db2.gz CBBFCWMEXBTWMR-VIFPVBQESA-N -1 0 310.335 -0.032 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000781510810 804530048 /nfs/dbraw/zinc/53/00/48/804530048.db2.gz JUESDCWPMRXBJQ-DGCLKSJQSA-N -1 0 318.395 -0.130 20 0 DBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)c1 ZINC000781729147 804533182 /nfs/dbraw/zinc/53/31/82/804533182.db2.gz MNVOKYQKANUUBR-UHFFFAOYSA-N -1 0 323.334 -0.707 20 0 DBADRM COCCC1(C(=O)[N-]S(=O)(=O)c2cnnn2C)CCC1 ZINC000781732961 804534389 /nfs/dbraw/zinc/53/43/89/804534389.db2.gz VUKXJTUVIKBFTG-UHFFFAOYSA-N -1 0 302.356 -0.173 20 0 DBADRM CN(CC(=O)[N-]S(=O)(=O)c1cnnn1C)[C@H]1CCSC1 ZINC000781734480 804534460 /nfs/dbraw/zinc/53/44/60/804534460.db2.gz KBVUAEWJYRCZMJ-QMMMGPOBSA-N -1 0 319.412 -0.943 20 0 DBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)c2cnnn2C)cn1 ZINC000781742174 804535934 /nfs/dbraw/zinc/53/59/34/804535934.db2.gz RJTIVQANSKNQBJ-UHFFFAOYSA-N -1 0 312.311 -0.878 20 0 DBADRM CC[C@@H](F)C(=O)NCCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001283620353 804540803 /nfs/dbraw/zinc/54/08/03/804540803.db2.gz VFPDQMAIZHLUPM-SSDOTTSWSA-N -1 0 315.305 -0.391 20 0 DBADRM C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000782210967 804542203 /nfs/dbraw/zinc/54/22/03/804542203.db2.gz DAKNODOMMXGVPD-MRVPVSSYSA-N -1 0 315.351 -0.426 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)Cc1ccn(C)n1 ZINC000782578010 804549001 /nfs/dbraw/zinc/54/90/01/804549001.db2.gz MFPIYEUQRKGKRK-UHFFFAOYSA-N -1 0 311.367 -0.182 20 0 DBADRM CO[C@H](C)CCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000782576548 804549048 /nfs/dbraw/zinc/54/90/48/804549048.db2.gz DYWHACIZJUNYEL-MRVPVSSYSA-N -1 0 317.367 -0.256 20 0 DBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c(C)n1 ZINC000782605317 804551526 /nfs/dbraw/zinc/55/15/26/804551526.db2.gz GICINKBTUJSORD-JTQLQIEISA-N -1 0 317.367 -0.314 20 0 DBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)C2(C)COC2)s1 ZINC000782626287 804551902 /nfs/dbraw/zinc/55/19/02/804551902.db2.gz OVJACIPXODBJAD-UHFFFAOYSA-N -1 0 320.352 -0.662 20 0 DBADRM O=C(N1CCO[C@@H](c2nnn[n-]2)C1)C1(N2CCOCC2)CCC1 ZINC000782670488 804552651 /nfs/dbraw/zinc/55/26/51/804552651.db2.gz WMTCWDJSZNUYRX-LLVKDONJSA-N -1 0 322.369 -0.646 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000783404076 804565571 /nfs/dbraw/zinc/56/55/71/804565571.db2.gz HJPKCNJVKGIJEK-VHSXEESVSA-N -1 0 306.384 -0.069 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000783363266 804565658 /nfs/dbraw/zinc/56/56/58/804565658.db2.gz ZKHBUYVXBQRWCQ-NSHDSACASA-N -1 0 305.400 -0.006 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]N2CCCNC2=O)o1 ZINC000783601814 804566930 /nfs/dbraw/zinc/56/69/30/804566930.db2.gz WPTATQKGRZZJIX-UHFFFAOYSA-N -1 0 316.339 -0.410 20 0 DBADRM O=C([N-]N1CCCNC1=O)c1cc(N2CCOCC2)ccn1 ZINC000784458422 804580851 /nfs/dbraw/zinc/58/08/51/804580851.db2.gz AUAUZNPPPLNGBH-UHFFFAOYSA-N -1 0 305.338 -0.022 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)n1 ZINC000784509694 804581606 /nfs/dbraw/zinc/58/16/06/804581606.db2.gz DPXAAAACJINHNY-SECBINFHSA-N -1 0 303.340 -0.622 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccn(CCOC)n1 ZINC000784526059 804581639 /nfs/dbraw/zinc/58/16/39/804581639.db2.gz OXDKHVKOCVYXNL-UHFFFAOYSA-N -1 0 304.372 -0.154 20 0 DBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)n1 ZINC000784537400 804582073 /nfs/dbraw/zinc/58/20/73/804582073.db2.gz FFZDCUCKPKMGQG-SNVBAGLBSA-N -1 0 317.367 -0.374 20 0 DBADRM CO[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC[C@H]1C ZINC000784663461 804584015 /nfs/dbraw/zinc/58/40/15/804584015.db2.gz OLJOEVUOPSBVTL-MWLCHTKSSA-N -1 0 305.338 -0.045 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C(C)(C)c1cnn(C)c1 ZINC000784891108 804589218 /nfs/dbraw/zinc/58/92/18/804589218.db2.gz RTFYBIKCRMZQJW-UHFFFAOYSA-N -1 0 318.399 -0.363 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)CCCF ZINC000784879047 804589472 /nfs/dbraw/zinc/58/94/72/804589472.db2.gz LFEQAYXMANFMIH-UHFFFAOYSA-N -1 0 318.392 -0.536 20 0 DBADRM C[C@@H](CN1CCOCC1)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000784921346 804590263 /nfs/dbraw/zinc/59/02/63/804590263.db2.gz LMVBTNZCPOFRMJ-JTQLQIEISA-N -1 0 321.337 -0.665 20 0 DBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000785095077 804591418 /nfs/dbraw/zinc/59/14/18/804591418.db2.gz OVAWAPWARKAULJ-DTWKUNHWSA-N -1 0 312.413 -0.345 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000785390125 804598756 /nfs/dbraw/zinc/59/87/56/804598756.db2.gz XTGQJLYICVNSJF-UHFFFAOYSA-N -1 0 303.278 -0.452 20 0 DBADRM Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785388763 804598832 /nfs/dbraw/zinc/59/88/32/804598832.db2.gz PMEPHZHWBUCJHJ-UHFFFAOYSA-N -1 0 317.305 -0.348 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H](C(=O)NCCS(=O)(=O)CC2CC2)O1 ZINC000785400791 804598885 /nfs/dbraw/zinc/59/88/85/804598885.db2.gz CJLQKEDOABYGKN-UWVGGRQHSA-N -1 0 305.352 -0.440 20 0 DBADRM CC/C=C(/C)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001284000285 804620296 /nfs/dbraw/zinc/62/02/96/804620296.db2.gz QVBYWMFMVBARMI-OTOXVQDCSA-N -1 0 321.337 -0.030 20 0 DBADRM NC(=O)[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnccn2)C1 ZINC000786957310 804626319 /nfs/dbraw/zinc/62/63/19/804626319.db2.gz JJIZQWAEPTVVPX-DTWKUNHWSA-N -1 0 312.351 -0.427 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC000786961642 804626328 /nfs/dbraw/zinc/62/63/28/804626328.db2.gz SKQMMFKDOMPQDI-UWVGGRQHSA-N -1 0 305.400 -0.019 20 0 DBADRM O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)[N-]OCCO ZINC000787283108 804631591 /nfs/dbraw/zinc/63/15/91/804631591.db2.gz AMUFPTAGZRMJQC-UHFFFAOYSA-N -1 0 319.317 -0.902 20 0 DBADRM CN(CC(=O)[N-]OCCO)C1=NS(=O)(=O)c2ccccc21 ZINC000787292364 804632304 /nfs/dbraw/zinc/63/23/04/804632304.db2.gz MEMAWSONVBEHKB-UHFFFAOYSA-N -1 0 313.335 -0.893 20 0 DBADRM CC1(C)CC[C@@H](C(=O)[O-])N1S(=O)(=O)CCS(C)(=O)=O ZINC000787515950 804635061 /nfs/dbraw/zinc/63/50/61/804635061.db2.gz WEVNJSFZIAFNKZ-QMMMGPOBSA-N -1 0 313.397 -0.312 20 0 DBADRM CCN(C)S(=O)(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000787931156 804646033 /nfs/dbraw/zinc/64/60/33/804646033.db2.gz CXJYFOJXVCCWQB-MRVPVSSYSA-N -1 0 310.372 -0.043 20 0 DBADRM CC(C)(O)CO[N-]C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000788220303 804654187 /nfs/dbraw/zinc/65/41/87/804654187.db2.gz UCYGIFQZYOHPRD-UHFFFAOYSA-N -1 0 307.306 -0.079 20 0 DBADRM COc1ccccc1S(=O)(=O)[N-]C(=O)C1CN(C(C)=O)C1 ZINC000788365492 804657387 /nfs/dbraw/zinc/65/73/87/804657387.db2.gz QXDQTPIDVSOIAF-UHFFFAOYSA-N -1 0 312.347 -0.022 20 0 DBADRM CN(C)C(=O)c1cc(S(=O)(=O)NC/C=C\C(=O)[O-])cn1C ZINC000788445971 804661746 /nfs/dbraw/zinc/66/17/46/804661746.db2.gz ICPFODKIBXSWOC-PLNGDYQASA-N -1 0 315.351 -0.354 20 0 DBADRM CN1C(=O)c2ccc(S(=O)(=O)NC/C=C\C(=O)[O-])cc2C1=O ZINC000788447750 804661798 /nfs/dbraw/zinc/66/17/98/804661798.db2.gz PQVPUWNIHIYDTR-IHWYPQMZSA-N -1 0 324.314 -0.169 20 0 DBADRM CC/C(C)=C\C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001284229730 804663443 /nfs/dbraw/zinc/66/34/43/804663443.db2.gz FUVIAKOTLYXURO-TVSKSKRASA-N -1 0 309.326 -0.126 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN1CC(=O)[N-]OCc1ccccc1 ZINC000788604166 804663689 /nfs/dbraw/zinc/66/36/89/804663689.db2.gz REOFRNHZOCWDTO-QWHCGFSZSA-N -1 0 308.334 -0.157 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)[N-]OCc1ccccc1 ZINC000788604485 804663980 /nfs/dbraw/zinc/66/39/80/804663980.db2.gz REOFRNHZOCWDTO-STQMWFEESA-N -1 0 308.334 -0.157 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)[N-]OCc1ccccc1 ZINC000788604161 804664343 /nfs/dbraw/zinc/66/43/43/804664343.db2.gz REOFRNHZOCWDTO-CHWSQXEVSA-N -1 0 308.334 -0.157 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]N2CCCNC2=O)c[nH]1 ZINC000788914002 804667372 /nfs/dbraw/zinc/66/73/72/804667372.db2.gz UGISFLZQYLKISQ-UHFFFAOYSA-N -1 0 302.312 -0.590 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000789776484 804675954 /nfs/dbraw/zinc/67/59/54/804675954.db2.gz QLUIRHTUAAYKKT-UHFFFAOYSA-N -1 0 312.351 -0.116 20 0 DBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccn(C)n1 ZINC000789776846 804676274 /nfs/dbraw/zinc/67/62/74/804676274.db2.gz LEWJBBDCDIKQSJ-DTWKUNHWSA-N -1 0 317.367 -0.394 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000789791717 804676678 /nfs/dbraw/zinc/67/66/78/804676678.db2.gz SCQAYOQPACZAHC-DTWKUNHWSA-N -1 0 303.340 -0.201 20 0 DBADRM CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1n[nH]c(=O)[n-]1 ZINC000789922214 804680392 /nfs/dbraw/zinc/68/03/92/804680392.db2.gz VYODBFKLSSFTIU-SECBINFHSA-N -1 0 305.294 -0.191 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@@]1(O)CCOC1 ZINC000790002509 804680939 /nfs/dbraw/zinc/68/09/39/804680939.db2.gz KZFCCGQNGWLAPG-KWQFWETISA-N -1 0 312.288 -0.043 20 0 DBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CN(C)NC1=O ZINC000790010188 804682783 /nfs/dbraw/zinc/68/27/83/804682783.db2.gz LREKRNJGGPHUDT-RQJHMYQMSA-N -1 0 310.276 -0.849 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC(=O)N(CC2CC2)C1 ZINC000790266221 804686595 /nfs/dbraw/zinc/68/65/95/804686595.db2.gz FHUKUGCMONJKBH-UHFFFAOYSA-N -1 0 316.321 -0.891 20 0 DBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000790798006 804695391 /nfs/dbraw/zinc/69/53/91/804695391.db2.gz AITBNDKMUJCWFB-UHFFFAOYSA-N -1 0 322.383 -0.894 20 0 DBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)cc1 ZINC000790764548 804695595 /nfs/dbraw/zinc/69/55/95/804695595.db2.gz HWLZPIJDSQPIMX-UHFFFAOYSA-N -1 0 312.347 -0.341 20 0 DBADRM C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H](C)[S@@]1=O ZINC000791177698 804698952 /nfs/dbraw/zinc/69/89/52/804698952.db2.gz QNMOHSUJZARWMY-KVMNZBFOSA-N -1 0 313.379 -0.705 20 0 DBADRM Cn1[nH]cc2c(=NC(=O)Cn3nc4ccccn4c3=O)ccnc1-2 ZINC000791163816 804699616 /nfs/dbraw/zinc/69/96/16/804699616.db2.gz FJPYWBAQYRJGDG-UHFFFAOYSA-N -1 0 323.316 -0.210 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)[C@H]1CCCCS1(=O)=O ZINC000791785852 804707490 /nfs/dbraw/zinc/70/74/90/804707490.db2.gz NQOIMUWOBGHCBY-SECBINFHSA-N -1 0 310.397 -0.590 20 0 DBADRM O=C([N-]S(=O)(=O)N1CCCC1)[C@@H]1CCCCS1(=O)=O ZINC000791785853 804708057 /nfs/dbraw/zinc/70/80/57/804708057.db2.gz NQOIMUWOBGHCBY-VIFPVBQESA-N -1 0 310.397 -0.590 20 0 DBADRM CSc1c(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cnn1C ZINC000791806023 804708629 /nfs/dbraw/zinc/70/86/29/804708629.db2.gz BCDLDSHHQICXDU-SSDOTTSWSA-N -1 0 305.381 -0.010 20 0 DBADRM O=C([N-]S(=O)(=O)CCCF)[C@H]1CCCCS1(=O)=O ZINC000791820912 804709029 /nfs/dbraw/zinc/70/90/29/804709029.db2.gz YFVPECNBHSUYFM-MRVPVSSYSA-N -1 0 301.361 -0.241 20 0 DBADRM COC(=O)[C@]1([N-]S(=O)(=O)C[C@@H]2CCCOC2)CCOC1 ZINC000792773719 804722312 /nfs/dbraw/zinc/72/23/12/804722312.db2.gz RWFGUUPMOOADKP-PWSUYJOCSA-N -1 0 307.368 -0.336 20 0 DBADRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cnn(C)n2)c1 ZINC000793139691 804724789 /nfs/dbraw/zinc/72/47/89/804724789.db2.gz IPIHHYONVZQRBY-UHFFFAOYSA-N -1 0 324.318 -0.280 20 0 DBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)n1 ZINC000793138244 804725010 /nfs/dbraw/zinc/72/50/10/804725010.db2.gz BLSXISRKEMGKEE-UHFFFAOYSA-N -1 0 307.335 -0.148 20 0 DBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)n1 ZINC000793111234 804725123 /nfs/dbraw/zinc/72/51/23/804725123.db2.gz ZMBABEZVDHJJHS-UHFFFAOYSA-N -1 0 324.318 -0.295 20 0 DBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cnn(C)n2)cn1 ZINC000793190102 804726051 /nfs/dbraw/zinc/72/60/51/804726051.db2.gz IYQXUPGYMUZDRS-UHFFFAOYSA-N -1 0 311.323 -0.273 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)COCc1ccnn1C ZINC000793149541 804726383 /nfs/dbraw/zinc/72/63/83/804726383.db2.gz ULEPQJAYWXCPBH-SECBINFHSA-N -1 0 305.356 -0.582 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)n1 ZINC000793220005 804727153 /nfs/dbraw/zinc/72/71/53/804727153.db2.gz BMHMXZDVNZMXHH-RQJHMYQMSA-N -1 0 304.328 -0.928 20 0 DBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)n1 ZINC000793277493 804728777 /nfs/dbraw/zinc/72/87/77/804728777.db2.gz OFIRJYOZQICGIL-UHFFFAOYSA-N -1 0 320.281 -0.605 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)Cc2ccccn2)c[nH]1 ZINC000793317315 804728863 /nfs/dbraw/zinc/72/88/63/804728863.db2.gz JLPSDANEMJOBLT-UHFFFAOYSA-N -1 0 308.319 -0.232 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]OC/C=C/Cl ZINC000794287917 804747438 /nfs/dbraw/zinc/74/74/38/804747438.db2.gz AFBWCJGSBJGXKF-RXNUUUNCSA-N -1 0 303.746 -0.086 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000796700692 804772412 /nfs/dbraw/zinc/77/24/12/804772412.db2.gz SYLWFXZAIHKYHI-QMMMGPOBSA-N -1 0 318.317 -0.037 20 0 DBADRM Cc1ccc2c(c1)CC[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)O2 ZINC000796826637 804773548 /nfs/dbraw/zinc/77/35/48/804773548.db2.gz HUTIJYHCKDLFQS-NSHDSACASA-N -1 0 312.347 -0.380 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000796806326 804773566 /nfs/dbraw/zinc/77/35/66/804773566.db2.gz FZWHNFLIWWYKFV-UHFFFAOYSA-N -1 0 323.762 -0.803 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000796800126 804774029 /nfs/dbraw/zinc/77/40/29/804774029.db2.gz HCGJXEYAWZJEET-UHFFFAOYSA-N -1 0 315.351 -0.181 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000796824226 804774095 /nfs/dbraw/zinc/77/40/95/804774095.db2.gz XWOKUUMHQYAXAZ-VIFPVBQESA-N -1 0 307.372 -0.679 20 0 DBADRM C[C@H]1C(=O)CC[C@H]1CC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000796730121 804774235 /nfs/dbraw/zinc/77/42/35/804774235.db2.gz BNJXLRJUVOOZEA-ZJUUUORDSA-N -1 0 304.368 -0.315 20 0 DBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796879094 804775072 /nfs/dbraw/zinc/77/50/72/804775072.db2.gz SMNDIPTVDNKMHC-UHFFFAOYSA-N -1 0 304.328 -0.259 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2 ZINC000796882614 804775163 /nfs/dbraw/zinc/77/51/63/804775163.db2.gz LYJRKRZJPAHHMT-QMMMGPOBSA-N -1 0 303.340 -0.240 20 0 DBADRM Cc1nnc(COCC(=O)[N-]S(=O)(=O)N2CCCC2)s1 ZINC000796877861 804775209 /nfs/dbraw/zinc/77/52/09/804775209.db2.gz AHTDKYYRCQLQNR-UHFFFAOYSA-N -1 0 320.396 -0.180 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)[nH]1 ZINC000796883302 804776093 /nfs/dbraw/zinc/77/60/93/804776093.db2.gz PYWBZUSUNHEOIY-SSDOTTSWSA-N -1 0 302.308 -0.350 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)[nH]1 ZINC000796996825 804776642 /nfs/dbraw/zinc/77/66/42/804776642.db2.gz QFSDLWGQPGGLSM-QMMMGPOBSA-N -1 0 316.335 -0.103 20 0 DBADRM C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)c1ccc2c(c1)OCO2 ZINC000797058886 804776995 /nfs/dbraw/zinc/77/69/95/804776995.db2.gz WEODKGYBGQKLPS-SSDOTTSWSA-N -1 0 314.319 -0.550 20 0 DBADRM Cc1cnc(COCC(=O)[N-]S(=O)(=O)N2CCOCC2)o1 ZINC000797072243 804778014 /nfs/dbraw/zinc/77/80/14/804778014.db2.gz XSGVJJITXDZRBS-UHFFFAOYSA-N -1 0 319.339 -0.807 20 0 DBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC000797218018 804778037 /nfs/dbraw/zinc/77/80/37/804778037.db2.gz OVKWZUQKLFSQFE-UHFFFAOYSA-N -1 0 305.278 -0.296 20 0 DBADRM C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)c1ccc2c(c1)OCO2 ZINC000797058888 804778067 /nfs/dbraw/zinc/77/80/67/804778067.db2.gz WEODKGYBGQKLPS-ZETCQYMHSA-N -1 0 314.319 -0.550 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1C ZINC000797059858 804778091 /nfs/dbraw/zinc/77/80/91/804778091.db2.gz CHHWRLQODMKPOC-QMMMGPOBSA-N -1 0 303.340 -0.721 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc2nccnc2c1 ZINC000797280853 804778742 /nfs/dbraw/zinc/77/87/42/804778742.db2.gz HVBWMKLNHQZTJH-SSDOTTSWSA-N -1 0 324.318 -0.354 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C1(OC)CCOCC1 ZINC000797280533 804778774 /nfs/dbraw/zinc/77/87/74/804778774.db2.gz JOIYUKSFVYAMNS-QMMMGPOBSA-N -1 0 309.340 -0.811 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCCC(=O)NC(C)C ZINC000797280945 804778857 /nfs/dbraw/zinc/77/88/57/804778857.db2.gz CLQBMSDXDBEXME-VIFPVBQESA-N -1 0 322.383 -0.311 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1cnn(C)c1C ZINC000797284590 804778870 /nfs/dbraw/zinc/77/88/70/804778870.db2.gz LAKCELXLRGESGK-SECBINFHSA-N -1 0 317.367 -0.331 20 0 DBADRM COc1cccc(CCC(=O)[N-]S(=O)(=O)CC(N)=O)c1F ZINC000797273685 804778989 /nfs/dbraw/zinc/77/89/89/804778989.db2.gz LVVXTWKRALQRAL-UHFFFAOYSA-N -1 0 318.326 -0.302 20 0 DBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000797245454 804779088 /nfs/dbraw/zinc/77/90/88/804779088.db2.gz JXAXIVONKHKGGW-MRVPVSSYSA-N -1 0 312.347 -0.049 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCCn1cccn1 ZINC000797280354 804779129 /nfs/dbraw/zinc/77/91/29/804779129.db2.gz ALHJEANHMWWKDW-SECBINFHSA-N -1 0 303.340 -0.329 20 0 DBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000797289960 804779906 /nfs/dbraw/zinc/77/99/06/804779906.db2.gz HWXODMHJVFJXCI-IUCAKERBSA-N -1 0 311.356 -0.565 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCN1CCCC1=O ZINC000797290217 804779943 /nfs/dbraw/zinc/77/99/43/804779943.db2.gz JJCMFWVHXFCXPF-QMMMGPOBSA-N -1 0 306.340 -0.994 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)c1cnn(C)c1 ZINC000797285770 804779972 /nfs/dbraw/zinc/77/99/72/804779972.db2.gz VUOXNKNQDBXZIU-JGVFFNPUSA-N -1 0 303.340 -0.469 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C\C1CCOCC1 ZINC000797294755 804779990 /nfs/dbraw/zinc/77/99/90/804779990.db2.gz RTKPBQLMCVVHAL-ZBJFTSOASA-N -1 0 305.352 -0.023 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)/C=C\c1cnn(C)c1 ZINC000797300887 804780435 /nfs/dbraw/zinc/78/04/35/804780435.db2.gz XAQVYTDBXJABIH-LGYSABEFSA-N -1 0 301.324 -0.559 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)COCc1ncc(C)o1 ZINC000797305424 804780557 /nfs/dbraw/zinc/78/05/57/804780557.db2.gz LOZXEYBWGGLIBO-QMMMGPOBSA-N -1 0 320.323 -0.493 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000797304325 804780767 /nfs/dbraw/zinc/78/07/67/804780767.db2.gz NIGUSNXOAWVCKT-SSDOTTSWSA-N -1 0 310.328 -0.870 20 0 DBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000797304329 804780695 /nfs/dbraw/zinc/78/06/95/804780695.db2.gz NIGUSNXOAWVCKT-ZETCQYMHSA-N -1 0 310.328 -0.870 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1C ZINC000797297659 804780813 /nfs/dbraw/zinc/78/08/13/804780813.db2.gz DJVZNUJTRVVISO-MRVPVSSYSA-N -1 0 303.340 -0.342 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(OC)n1 ZINC000797306204 804781472 /nfs/dbraw/zinc/78/14/72/804781472.db2.gz OTWYJEICDLUZIG-ZETCQYMHSA-N -1 0 302.308 -0.289 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C ZINC000798201827 804787096 /nfs/dbraw/zinc/78/70/96/804787096.db2.gz ZMGBWWORQZSMIX-QMMMGPOBSA-N -1 0 322.383 -0.454 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)C(C)(C)C ZINC000798199956 804787100 /nfs/dbraw/zinc/78/71/00/804787100.db2.gz IMRRDXBOUUVCKB-QMMMGPOBSA-N -1 0 322.383 -0.454 20 0 DBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)cn1 ZINC000798201652 804787250 /nfs/dbraw/zinc/78/72/50/804787250.db2.gz VVLIPHMHQAXUST-QMMMGPOBSA-N -1 0 303.340 -0.086 20 0 DBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C2CC2)n[nH]1 ZINC000798201157 804787310 /nfs/dbraw/zinc/78/73/10/804787310.db2.gz RVAVPHHOPCJPOC-ZCFIWIBFSA-N -1 0 301.324 -0.092 20 0 DBADRM CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000798199247 804787355 /nfs/dbraw/zinc/78/73/55/804787355.db2.gz AYEAGBJDRZKYKV-ZETCQYMHSA-N -1 0 303.340 -0.396 20 0 DBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(C)=O)cn1C ZINC000798200116 804787607 /nfs/dbraw/zinc/78/76/07/804787607.db2.gz NXJZBOXJHJEKBL-QMMMGPOBSA-N -1 0 316.335 -0.151 20 0 DBADRM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(=O)[nH][n-]1 ZINC000798283729 804789640 /nfs/dbraw/zinc/78/96/40/804789640.db2.gz MTVXMFXTZORBTC-GFCCVEGCSA-N -1 0 301.302 -0.011 20 0 DBADRM CC[C@H](C)N(CC(=O)OC)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000798537213 804793145 /nfs/dbraw/zinc/79/31/45/804793145.db2.gz HHSBJUXHYHQPFH-VIFPVBQESA-N -1 0 321.337 -0.129 20 0 DBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000798812507 804801355 /nfs/dbraw/zinc/80/13/55/804801355.db2.gz SNIHUAUWVKHSJD-UHFFFAOYSA-N -1 0 324.318 -0.295 20 0 DBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)N1CCCCC1)c1cnn(C)c1 ZINC000798819004 804801476 /nfs/dbraw/zinc/80/14/76/804801476.db2.gz HSIZVUPVJBAACV-LLVKDONJSA-N -1 0 316.383 -0.046 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@]1(C)CCC(=O)NC1 ZINC000798830759 804802181 /nfs/dbraw/zinc/80/21/81/804802181.db2.gz VQYYSRUIVXEERH-GFCCVEGCSA-N -1 0 320.367 -0.698 20 0 DBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000798823824 804802194 /nfs/dbraw/zinc/80/21/94/804802194.db2.gz SCYPECURBOHZMK-UHFFFAOYSA-N -1 0 321.362 -0.152 20 0 DBADRM COCCS(=O)(=O)[N-]C(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000798828611 804802353 /nfs/dbraw/zinc/80/23/53/804802353.db2.gz VIJNFMBEHKVPAU-VIFPVBQESA-N -1 0 301.368 -0.383 20 0 DBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000798856427 804803343 /nfs/dbraw/zinc/80/33/43/804803343.db2.gz TXGZHWSZHZDKQG-UHFFFAOYSA-N -1 0 310.339 -0.460 20 0 DBADRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)CS(C)(=O)=O ZINC000798899756 804804534 /nfs/dbraw/zinc/80/45/34/804804534.db2.gz DOXREKQMURTCAY-UHFFFAOYSA-N -1 0 305.377 -0.014 20 0 DBADRM Cn1nnc(COC(=O)c2ccccc2[N-]S(C)(=O)=O)n1 ZINC000799459151 804812239 /nfs/dbraw/zinc/81/22/39/804812239.db2.gz CJKKCKWBGSKJSX-UHFFFAOYSA-N -1 0 311.323 -0.061 20 0 DBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCc1nnn(C)n1 ZINC000799485868 804812772 /nfs/dbraw/zinc/81/27/72/804812772.db2.gz XHNNVRMQOSIUPS-UHFFFAOYSA-N -1 0 317.309 -0.139 20 0 DBADRM COC(=O)CC1(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000799487496 804812920 /nfs/dbraw/zinc/81/29/20/804812920.db2.gz RJNDQMKWHWYRGT-UHFFFAOYSA-N -1 0 320.305 -0.042 20 0 DBADRM Cc1ncc(Cl)c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC000800550921 804825402 /nfs/dbraw/zinc/82/54/02/804825402.db2.gz JEOQNKWIQMIEAC-UHFFFAOYSA-N -1 0 320.758 -0.366 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc2nccnc21 ZINC000800549341 804825532 /nfs/dbraw/zinc/82/55/32/804825532.db2.gz KBLWFBJMGCMLKP-UHFFFAOYSA-N -1 0 322.346 -0.175 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C1(C(F)(F)F)CC1 ZINC000800550956 804825549 /nfs/dbraw/zinc/82/55/49/804825549.db2.gz KOYDVWURMWVHON-UHFFFAOYSA-N -1 0 302.274 -0.089 20 0 DBADRM CCOCCO[C@@H](C)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800550845 804825558 /nfs/dbraw/zinc/82/55/58/804825558.db2.gz IKORDXHFZZZOMO-VIFPVBQESA-N -1 0 310.372 -0.990 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cn1cc2ccccc2n1 ZINC000800549353 804825567 /nfs/dbraw/zinc/82/55/67/804825567.db2.gz KFAFTPPNYHBJMX-UHFFFAOYSA-N -1 0 324.362 -0.382 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccnn1CC(F)F ZINC000800551387 804825592 /nfs/dbraw/zinc/82/55/92/804825592.db2.gz CINVXUZYORBVAY-UHFFFAOYSA-N -1 0 324.309 -0.656 20 0 DBADRM COC1CCC(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CC1 ZINC000800551346 804825839 /nfs/dbraw/zinc/82/58/39/804825839.db2.gz AVXHQHXBWLYPQZ-UHFFFAOYSA-N -1 0 306.384 -0.226 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc2c(c1)CCO2 ZINC000800551522 804825852 /nfs/dbraw/zinc/82/58/52/804825852.db2.gz ISMWMVKICRGDOE-UHFFFAOYSA-N -1 0 312.347 -0.183 20 0 DBADRM C[N@H+](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@H]1CCSC1 ZINC000800549094 804825899 /nfs/dbraw/zinc/82/58/99/804825899.db2.gz HWTAKMHKLUUWSK-VIFPVBQESA-N -1 0 323.440 -0.994 20 0 DBADRM C[C@H]1C(=O)CC[C@H]1CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800553094 804826023 /nfs/dbraw/zinc/82/60/23/804826023.db2.gz IJCBUNMIWMSQAS-BDAKNGLRSA-N -1 0 304.368 -0.426 20 0 DBADRM CCOc1cccnc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800552221 804826070 /nfs/dbraw/zinc/82/60/70/804826070.db2.gz NRTDPOQQNDLJLM-UHFFFAOYSA-N -1 0 315.351 -0.324 20 0 DBADRM O=C(OCc1n[nH]c(=O)[n-]1)[C@@H]1COCCN1CC(F)(F)F ZINC000801347418 804834249 /nfs/dbraw/zinc/83/42/49/804834249.db2.gz LRCXKQMUGXSMLP-LURJTMIESA-N -1 0 310.232 -0.183 20 0 DBADRM O=C(CCn1ccnn1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000802064454 804841517 /nfs/dbraw/zinc/84/15/17/804841517.db2.gz RDRZFEGPWQMHGX-JTQLQIEISA-N -1 0 302.356 -0.317 20 0 DBADRM Cn1nnc2c1nccc2C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000802051721 804841589 /nfs/dbraw/zinc/84/15/89/804841589.db2.gz AMKFERUWAKQSJZ-UHFFFAOYSA-N -1 0 324.366 -0.176 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1ccnn1 ZINC000802155122 804842267 /nfs/dbraw/zinc/84/22/67/804842267.db2.gz MMNXRTHMGGPDSW-RKDXNWHRSA-N -1 0 318.355 -0.688 20 0 DBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC ZINC000802157695 804842480 /nfs/dbraw/zinc/84/24/80/804842480.db2.gz MKVIBGBOFPAUKT-DJLDLDEBSA-N -1 0 323.367 -0.171 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1ccnc2c1nnn2C ZINC000802149750 804842601 /nfs/dbraw/zinc/84/26/01/804842601.db2.gz BJQFKSFQVPBGLE-UHFFFAOYSA-N -1 0 321.322 -0.785 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC ZINC000802161045 804842806 /nfs/dbraw/zinc/84/28/06/804842806.db2.gz NKOIPPZLWDONHO-YIZRAAEISA-N -1 0 322.383 -0.455 20 0 DBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cncc(-n2ccnn2)c1 ZINC000802107826 804842974 /nfs/dbraw/zinc/84/29/74/804842974.db2.gz CERAVBYVGHLDOH-UHFFFAOYSA-N -1 0 324.366 -0.021 20 0 DBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C1=O ZINC000802165069 804843208 /nfs/dbraw/zinc/84/32/08/804843208.db2.gz BCCRHCPELBOBDN-VGMNWLOBSA-N -1 0 320.367 -0.892 20 0 DBADRM COc1cncc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)n1 ZINC000802205371 804844112 /nfs/dbraw/zinc/84/41/12/804844112.db2.gz UXUOVLDIMWPVRO-UHFFFAOYSA-N -1 0 323.334 -0.253 20 0 DBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)C1=O ZINC000802210598 804844248 /nfs/dbraw/zinc/84/42/48/804844248.db2.gz KLHTXDMEOHCYOP-MRVPVSSYSA-N -1 0 312.351 -0.888 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)C1CC=CC1 ZINC001285214122 804845998 /nfs/dbraw/zinc/84/59/98/804845998.db2.gz KAZOQWSMOORQKM-SECBINFHSA-N -1 0 323.353 -0.476 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N1CCn2c(Br)cnc2C1 ZINC000802618783 804846529 /nfs/dbraw/zinc/84/65/29/804846529.db2.gz KOQYIWVZWGKCAW-UHFFFAOYSA-N -1 0 312.127 -0.136 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)COC(F)F ZINC000802767116 804847341 /nfs/dbraw/zinc/84/73/41/804847341.db2.gz LJVZLLUCQPVCAF-PHDIDXHHSA-N -1 0 303.283 -0.131 20 0 DBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CC2OCCO2)cn1 ZINC000802815260 804848503 /nfs/dbraw/zinc/84/85/03/804848503.db2.gz QMCJSJFSEZREHP-UHFFFAOYSA-N -1 0 302.308 -0.342 20 0 DBADRM COc1ncc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)cn1 ZINC000803004329 804848951 /nfs/dbraw/zinc/84/89/51/804848951.db2.gz CPPDPMXQTUXWPT-SECBINFHSA-N -1 0 315.351 -0.029 20 0 DBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)c1cnnn1C ZINC000803022423 804849039 /nfs/dbraw/zinc/84/90/39/804849039.db2.gz KWTJZHCWQNHWJL-UHFFFAOYSA-N -1 0 315.380 -0.118 20 0 DBADRM COc1cncc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)n1 ZINC000803008164 804849081 /nfs/dbraw/zinc/84/90/81/804849081.db2.gz OAGLEUHICDRTAA-SECBINFHSA-N -1 0 315.351 -0.029 20 0 DBADRM COCCOCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803008481 804849095 /nfs/dbraw/zinc/84/90/95/804849095.db2.gz WGOZRRYBVDOCKP-LLVKDONJSA-N -1 0 309.384 -0.088 20 0 DBADRM O=C(CCN1CCCC1=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803003063 804849212 /nfs/dbraw/zinc/84/92/12/804849212.db2.gz RUAKDGGTDYJWFR-LLVKDONJSA-N -1 0 318.395 -0.129 20 0 DBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000802999810 804849276 /nfs/dbraw/zinc/84/92/76/804849276.db2.gz HAOBCULRFNOLDF-JTQLQIEISA-N -1 0 306.384 -0.225 20 0 DBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)co1 ZINC000803004982 804849282 /nfs/dbraw/zinc/84/92/82/804849282.db2.gz IXHJTKVDVOLJSU-QMMMGPOBSA-N -1 0 316.335 -0.135 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCN(C)CC(F)(F)F ZINC000804138797 804867543 /nfs/dbraw/zinc/86/75/43/804867543.db2.gz ZRFTUCSHEISMHA-UHFFFAOYSA-N -1 0 301.265 -0.709 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000804270176 804868382 /nfs/dbraw/zinc/86/83/82/804868382.db2.gz NKKLHRVSHJFFEX-UHFFFAOYSA-N -1 0 323.349 -0.472 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000804360951 804869184 /nfs/dbraw/zinc/86/91/84/804869184.db2.gz VJUXAJDFFROFGX-SNVBAGLBSA-N -1 0 311.342 -0.898 20 0 DBADRM CCN1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H](C)C1 ZINC000804380372 804869446 /nfs/dbraw/zinc/86/94/46/804869446.db2.gz IFKMTBRVDFHXPI-JTQLQIEISA-N -1 0 304.354 -0.376 20 0 DBADRM NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(=O)[nH][n-]1 ZINC000804892354 804873790 /nfs/dbraw/zinc/87/37/90/804873790.db2.gz WICRECIMADTWEY-SECBINFHSA-N -1 0 308.725 -0.272 20 0 DBADRM O=C(CCN1CCOCC1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000804611319 804873955 /nfs/dbraw/zinc/87/39/55/804873955.db2.gz NOPFEDBMHILNIO-SNVBAGLBSA-N -1 0 312.399 -0.462 20 0 DBADRM NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(=O)[nH][n-]1 ZINC000804892355 804874007 /nfs/dbraw/zinc/87/40/07/804874007.db2.gz WICRECIMADTWEY-VIFPVBQESA-N -1 0 308.725 -0.272 20 0 DBADRM CC/C=C(/C)C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001285424852 804876953 /nfs/dbraw/zinc/87/69/53/804876953.db2.gz XEYOJTPOLYLGEY-DAGBOUIGSA-N -1 0 310.354 -0.013 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001285469282 804891332 /nfs/dbraw/zinc/89/13/32/804891332.db2.gz UKPCMIFOAXDCKR-XNPJLODASA-N -1 0 323.353 -0.649 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F ZINC000883763763 807025619 /nfs/dbraw/zinc/02/56/19/807025619.db2.gz ICNXNSVBLLQYFE-RXMQYKEDSA-N -1 0 323.218 -0.088 20 0 DBADRM CCOCCS(=O)(=O)[N-]C(=O)CO[C@@H](C)c1nccn1C ZINC000805880147 804904875 /nfs/dbraw/zinc/90/48/75/804904875.db2.gz XGTYZQFWFMAHEV-JTQLQIEISA-N -1 0 319.383 -0.020 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cc1ccc(F)cn1 ZINC000805894398 804904899 /nfs/dbraw/zinc/90/48/99/804904899.db2.gz GJXZJZFWGIRGFX-UHFFFAOYSA-N -1 0 305.331 -0.298 20 0 DBADRM C[C@@H](OCC(=O)[N-]S(=O)(=O)N1CCCC1)c1nccn1C ZINC000805863536 804904914 /nfs/dbraw/zinc/90/49/14/804904914.db2.gz DSKRLESHXLPIRT-SNVBAGLBSA-N -1 0 316.383 -0.046 20 0 DBADRM CCN(C)S(=O)(=O)[N-]C(=O)CO[C@@H](C)c1nccn1C ZINC000805888962 804905192 /nfs/dbraw/zinc/90/51/92/804905192.db2.gz WPGHSSCBWUOVNW-VIFPVBQESA-N -1 0 304.372 -0.190 20 0 DBADRM CCOC(=O)C(C)(C)CC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000805887811 804905362 /nfs/dbraw/zinc/90/53/62/804905362.db2.gz GZCZHSQFASPSFZ-UHFFFAOYSA-N -1 0 322.383 -0.341 20 0 DBADRM C[C@@H](OCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1)c1nccn1C ZINC000805882591 804905408 /nfs/dbraw/zinc/90/54/08/804905408.db2.gz ZJZZBANFGSOMDD-ZJUUUORDSA-N -1 0 317.367 -0.267 20 0 DBADRM O=C(NCc1nnn[n-]1)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC001325051109 807028094 /nfs/dbraw/zinc/02/80/94/807028094.db2.gz OYNINJFMAIBNCC-NXEZZACHSA-N -1 0 320.334 -0.480 20 0 DBADRM CNS(=O)(=O)c1cc(NC(=O)c2cnn(C)n2)ccc1[O-] ZINC000807386220 804936251 /nfs/dbraw/zinc/93/62/51/804936251.db2.gz MLVQAKIRCWOBNN-UHFFFAOYSA-N -1 0 311.323 -0.319 20 0 DBADRM COCCCO[N-]C(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000807434901 804936285 /nfs/dbraw/zinc/93/62/85/804936285.db2.gz IZSHCYJACGADCW-UHFFFAOYSA-N -1 0 320.309 -0.315 20 0 DBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000807675755 804939102 /nfs/dbraw/zinc/93/91/02/804939102.db2.gz JDUNJIAGQSVTOA-ZDUSSCGKSA-N -1 0 307.350 -0.017 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000808278543 804956233 /nfs/dbraw/zinc/95/62/33/804956233.db2.gz XXQYIRIOSKDCDF-GHMZBOCLSA-N -1 0 304.343 -0.619 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2c[nH]nc2C)C1=O ZINC000808310153 804957114 /nfs/dbraw/zinc/95/71/14/804957114.db2.gz TXGUYNDZLXRSDV-SNVBAGLBSA-N -1 0 301.328 -0.368 20 0 DBADRM CC(C)(CC(=O)NCCS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000808507777 804960697 /nfs/dbraw/zinc/96/06/97/804960697.db2.gz VYRVUGQXYNVUFD-UHFFFAOYSA-N -1 0 322.383 -0.735 20 0 DBADRM Cn1nccc1S(=O)(=O)N=c1nc(C(F)(F)F)[n-]n1C ZINC000808553918 804961500 /nfs/dbraw/zinc/96/15/00/804961500.db2.gz UVURLNUGEMZPOY-UHFFFAOYSA-N -1 0 310.261 -0.210 20 0 DBADRM Cn1nncc1[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000808564151 804961677 /nfs/dbraw/zinc/96/16/77/804961677.db2.gz GDWZLSZYPPUFLK-UHFFFAOYSA-N -1 0 322.350 -0.194 20 0 DBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1cncnc1OC ZINC000808965774 804966725 /nfs/dbraw/zinc/96/67/25/804966725.db2.gz RBPXJVGGJDZJOU-UHFFFAOYSA-N -1 0 312.282 -0.575 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(=O)N1 ZINC000808986475 804967404 /nfs/dbraw/zinc/96/74/04/804967404.db2.gz QAHDBXFVPDNBRN-VIFPVBQESA-N -1 0 320.367 -0.556 20 0 DBADRM Cn1cc(C(=O)OCCOCC[N-]C(=O)C(F)(F)F)nn1 ZINC000808997671 804967799 /nfs/dbraw/zinc/96/77/99/804967799.db2.gz IIQSUUOFIRPWKP-UHFFFAOYSA-N -1 0 310.232 -0.333 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)COC[C@@H]1CCCO1 ZINC000809030279 804968953 /nfs/dbraw/zinc/96/89/53/804968953.db2.gz MNZUZZASJKCUHF-JTQLQIEISA-N -1 0 317.367 -0.271 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC000809032453 804969017 /nfs/dbraw/zinc/96/90/17/804969017.db2.gz YYSPABSCGAZJGA-UHFFFAOYSA-N -1 0 324.362 -0.215 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000809033161 804969066 /nfs/dbraw/zinc/96/90/66/804969066.db2.gz ZKEXUCQVRDUINN-QMMMGPOBSA-N -1 0 302.356 -0.552 20 0 DBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C)nn1C ZINC000809035371 804969627 /nfs/dbraw/zinc/96/96/27/804969627.db2.gz SBXDENAMFOSPQB-UHFFFAOYSA-N -1 0 313.339 -0.411 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000809036068 804970120 /nfs/dbraw/zinc/97/01/20/804970120.db2.gz PTILWDZBJRZQLI-UHFFFAOYSA-N -1 0 310.335 -0.454 20 0 DBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)n1 ZINC000810656396 804996744 /nfs/dbraw/zinc/99/67/44/804996744.db2.gz NEKVNIIBCHUZIH-UHFFFAOYSA-N -1 0 310.291 -0.338 20 0 DBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCCCC(N)=O ZINC000810681512 804998029 /nfs/dbraw/zinc/99/80/29/804998029.db2.gz JVEVTIGFJMJTHZ-RKDXNWHRSA-N -1 0 322.383 -0.324 20 0 DBADRM COCC1(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)CCOCC1 ZINC000810671257 804998721 /nfs/dbraw/zinc/99/87/21/804998721.db2.gz QWXVWDIUIDUTJP-VIFPVBQESA-N -1 0 323.367 -0.563 20 0 DBADRM C/C=C(/C)C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001285921099 805000163 /nfs/dbraw/zinc/00/01/63/805000163.db2.gz PWWKUKDEBAODOY-BAQGIRSFSA-N -1 0 309.326 -0.580 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cnc2n[nH]nc2c1 ZINC000810828191 805000355 /nfs/dbraw/zinc/00/03/55/805000355.db2.gz IXOVHVDOKXTJKV-UHFFFAOYSA-N -1 0 323.294 -0.650 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CN1CCSC1=O ZINC000810831063 805000470 /nfs/dbraw/zinc/00/04/70/805000470.db2.gz LOMSJOZSRWJUFT-UHFFFAOYSA-N -1 0 320.352 -0.461 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)COC1CCOCC1 ZINC000810832603 805000717 /nfs/dbraw/zinc/00/07/17/805000717.db2.gz OHZGRIVTJIZAEC-UHFFFAOYSA-N -1 0 319.339 -0.434 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)/C=C/c1cnn(C)c1 ZINC000810831418 805000743 /nfs/dbraw/zinc/00/07/43/805000743.db2.gz DCSBALFSCXXPCE-ONEGZZNKSA-N -1 0 311.323 -0.183 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CN(C)C(=O)C1CC1 ZINC000810830438 805000800 /nfs/dbraw/zinc/00/08/00/805000800.db2.gz RTWFBHJJZLJONU-UHFFFAOYSA-N -1 0 316.339 -0.761 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000810831237 805000860 /nfs/dbraw/zinc/00/08/60/805000860.db2.gz VRWMKKQNNNDIQY-UHFFFAOYSA-N -1 0 319.339 -0.041 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cnn(C)c1C ZINC000811136057 805004701 /nfs/dbraw/zinc/00/47/01/805004701.db2.gz UODMJOZNEVSGNY-UHFFFAOYSA-N -1 0 317.367 -0.013 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cnn(C)n1 ZINC000811141417 805005174 /nfs/dbraw/zinc/00/51/74/805005174.db2.gz JMVVMRRKLUDMQT-UHFFFAOYSA-N -1 0 304.328 -0.926 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1ncn(C)n1 ZINC000811142874 805005285 /nfs/dbraw/zinc/00/52/85/805005285.db2.gz ZIDHWYNLEYIXRB-UHFFFAOYSA-N -1 0 304.328 -0.926 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@H]1CCNC(=O)C1 ZINC000811143574 805005428 /nfs/dbraw/zinc/00/54/28/805005428.db2.gz WNMURGRIBZWLDZ-QMMMGPOBSA-N -1 0 320.367 -0.842 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C(=O)C2)CC1 ZINC000811157076 805005921 /nfs/dbraw/zinc/00/59/21/805005921.db2.gz VKCIOULNGBCBJD-VIFPVBQESA-N -1 0 304.368 -0.520 20 0 DBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cccn(C)c2=O)CC1 ZINC000811154132 805006499 /nfs/dbraw/zinc/00/64/99/805006499.db2.gz RWYJYMDQHPVDSJ-UHFFFAOYSA-N -1 0 300.336 -0.376 20 0 DBADRM COCC[C@H](COC)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000812349041 805017226 /nfs/dbraw/zinc/01/72/26/805017226.db2.gz YMIBUYIKSKOAAI-SECBINFHSA-N -1 0 309.326 -0.761 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000812988757 805024918 /nfs/dbraw/zinc/02/49/18/805024918.db2.gz LHCFIEHZWKZCGT-UHFFFAOYSA-N -1 0 319.277 -0.330 20 0 DBADRM CC[C@H](C)OCC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813944529 805035937 /nfs/dbraw/zinc/03/59/37/805035937.db2.gz UFBWCKPSVMZYLI-JTQLQIEISA-N -1 0 321.399 -0.673 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)C(C)C)CC1 ZINC000813946393 805036134 /nfs/dbraw/zinc/03/61/34/805036134.db2.gz YLLKFMSVLHOHDA-SNVBAGLBSA-N -1 0 305.400 -0.196 20 0 DBADRM CS/C=C\C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813946547 805036156 /nfs/dbraw/zinc/03/61/56/805036156.db2.gz CAVZMSIPFLIJMK-BAQGIRSFSA-N -1 0 307.397 -0.612 20 0 DBADRM CCO[C@H](CC)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813946903 805036295 /nfs/dbraw/zinc/03/62/95/805036295.db2.gz RHTJRXGRHYZCBS-LLVKDONJSA-N -1 0 321.399 -0.673 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)CC1 ZINC000813948414 805036529 /nfs/dbraw/zinc/03/65/29/805036529.db2.gz HTJKIHSKSKBKQV-GFCCVEGCSA-N -1 0 315.395 -0.132 20 0 DBADRM CS[C@@H](C)CC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813949266 805036628 /nfs/dbraw/zinc/03/66/28/805036628.db2.gz RDFQQDKQQQFLDY-VIFPVBQESA-N -1 0 323.440 -0.347 20 0 DBADRM C/C=C(\CC)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813948647 805036997 /nfs/dbraw/zinc/03/69/97/805036997.db2.gz LNNBRVBJCKKKHZ-NYYWCZLTSA-N -1 0 303.384 -0.132 20 0 DBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000813957191 805037683 /nfs/dbraw/zinc/03/76/83/805037683.db2.gz WPNZESGJJXCDRV-UHFFFAOYSA-N -1 0 305.356 -0.413 20 0 DBADRM COCc1nc(C(=O)[N-]S(=O)(=O)c2c(C)cnn2C)co1 ZINC000813989247 805038910 /nfs/dbraw/zinc/03/89/10/805038910.db2.gz ZPFGAIIBVRJUKH-UHFFFAOYSA-N -1 0 314.323 -0.018 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cccn(C)c1=O ZINC000813991313 805038920 /nfs/dbraw/zinc/03/89/20/805038920.db2.gz DZYZQFLDXUXHJU-UHFFFAOYSA-N -1 0 310.335 -0.454 20 0 DBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000813992126 805039017 /nfs/dbraw/zinc/03/90/17/805039017.db2.gz UNMSMDVLBYOSKT-UHFFFAOYSA-N -1 0 305.356 -0.413 20 0 DBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2c(C)cnn2C)CC1 ZINC000813986863 805039099 /nfs/dbraw/zinc/03/90/99/805039099.db2.gz IVOIQLIRPIAMFG-UHFFFAOYSA-N -1 0 315.351 -0.123 20 0 DBADRM CC(C)=CC(=O)N[C@@H](C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001286172412 805039850 /nfs/dbraw/zinc/03/98/50/805039850.db2.gz TVFTWPBNRNNSIY-VIFPVBQESA-N -1 0 323.353 -0.381 20 0 DBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)n1C ZINC000815920364 805061251 /nfs/dbraw/zinc/06/12/51/805061251.db2.gz GPSFIAUWWKLYKX-UHFFFAOYSA-N -1 0 315.351 -0.118 20 0 DBADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000815946644 805062275 /nfs/dbraw/zinc/06/22/75/805062275.db2.gz AGNGECYLJXNHIW-SNVBAGLBSA-N -1 0 318.399 -0.146 20 0 DBADRM CCCS(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000815957210 805062331 /nfs/dbraw/zinc/06/23/31/805062331.db2.gz YDCJRHPAHONCCG-SNVBAGLBSA-N -1 0 316.383 -0.242 20 0 DBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)n1C ZINC000815948602 805062399 /nfs/dbraw/zinc/06/23/99/805062399.db2.gz OUNMCSMCEREHDF-MRVPVSSYSA-N -1 0 318.351 -0.094 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CN1CCCCC1=O ZINC000815949675 805062430 /nfs/dbraw/zinc/06/24/30/805062430.db2.gz USOMLOLYVFFSHY-UHFFFAOYSA-N -1 0 320.367 -0.602 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)OC)c1 ZINC000815948597 805062677 /nfs/dbraw/zinc/06/26/77/805062677.db2.gz OTEUEPBDAGQRFA-ZETCQYMHSA-N -1 0 304.324 -0.104 20 0 DBADRM C[C@H](CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC1 ZINC001286513654 805062927 /nfs/dbraw/zinc/06/29/27/805062927.db2.gz IPDVQMCPNVGHOO-SSDOTTSWSA-N -1 0 309.326 -0.293 20 0 DBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)c2ccsc2)c1=O ZINC000815985157 805063510 /nfs/dbraw/zinc/06/35/10/805063510.db2.gz HKZKBMVCUNVDOR-UHFFFAOYSA-N -1 0 316.364 -0.462 20 0 DBADRM COc1cccc2c1[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2 ZINC000816014116 805063558 /nfs/dbraw/zinc/06/35/58/805063558.db2.gz NOOQWMCUGUSZQL-SECBINFHSA-N -1 0 312.347 -0.344 20 0 DBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCCC2=O ZINC000816013815 805063818 /nfs/dbraw/zinc/06/38/18/805063818.db2.gz BPWLGQICVYXHJO-UHFFFAOYSA-N -1 0 310.331 -0.250 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)CCOCCOC ZINC000815986896 805063930 /nfs/dbraw/zinc/06/39/30/805063930.db2.gz LOGOCFJGBUPMHO-UHFFFAOYSA-N -1 0 306.344 -0.979 20 0 DBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC ZINC000816024100 805064096 /nfs/dbraw/zinc/06/40/96/805064096.db2.gz QZWMLGHDFGNCPX-SFYZADRCSA-N -1 0 318.355 -0.445 20 0 DBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC)n1 ZINC000816025428 805064416 /nfs/dbraw/zinc/06/44/16/805064416.db2.gz VEOCVZGGKOPJBX-JGVFFNPUSA-N -1 0 318.355 -0.445 20 0 DBADRM CO[C@H]1CCCC[C@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000816450108 805071518 /nfs/dbraw/zinc/07/15/18/805071518.db2.gz NHHDVTRJAQCSRH-ZJUUUORDSA-N -1 0 306.384 -0.226 20 0 DBADRM Cc1c(CC(=O)Nn2c(=O)[n-][nH]c2=O)nnn1-c1ccccc1 ZINC000816732560 805079508 /nfs/dbraw/zinc/07/95/08/805079508.db2.gz MTQHQOFIJRMJHI-UHFFFAOYSA-N -1 0 315.293 -0.109 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000816732512 805079517 /nfs/dbraw/zinc/07/95/17/805079517.db2.gz KRMLQNVZCZWBOC-LLVKDONJSA-N -1 0 319.321 -0.340 20 0 DBADRM C[C@H](C(=O)Nn1c(=O)[n-][nH]c1=O)n1nnc(-c2ccccc2)n1 ZINC000816734076 805080552 /nfs/dbraw/zinc/08/05/52/805080552.db2.gz YRXDCBZXVLLVMK-SSDOTTSWSA-N -1 0 316.281 -0.326 20 0 DBADRM CCn1ncn([N-]C(=O)c2cnn(C)c2Br)c1=O ZINC000816734729 805080962 /nfs/dbraw/zinc/08/09/62/805080962.db2.gz BNFVXERIEKIOKS-UHFFFAOYSA-N -1 0 315.131 -0.055 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)[N-]OCc1ccccc1 ZINC000816845528 805084538 /nfs/dbraw/zinc/08/45/38/805084538.db2.gz SQKOACXQXXABQA-UHFFFAOYSA-N -1 0 301.368 -0.027 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NC[C@H]2CSCCS2)C1 ZINC000817110910 805090758 /nfs/dbraw/zinc/09/07/58/805090758.db2.gz PQHLKQYCLAEOSU-IUCAKERBSA-N -1 0 318.420 -0.116 20 0 DBADRM C[C@](O)(CCNC(=O)C(=O)NCCC(=O)[O-])c1ccccc1 ZINC000817114529 805090923 /nfs/dbraw/zinc/09/09/23/805090923.db2.gz IUVCWSJWTWCYEM-HNNXBMFYSA-N -1 0 308.334 -0.009 20 0 DBADRM Cc1nc(S(=O)(=O)NCC(=O)[N-]OCC2CC2)cn1C ZINC000817368298 805093737 /nfs/dbraw/zinc/09/37/37/805093737.db2.gz SEBIYCSASHWRFQ-UHFFFAOYSA-N -1 0 302.356 -0.535 20 0 DBADRM CON(C)C(=O)CNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000817668034 805095935 /nfs/dbraw/zinc/09/59/35/805095935.db2.gz YUZUJCRNPOXJSE-QMMMGPOBSA-N -1 0 313.276 -0.175 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000817873497 805102535 /nfs/dbraw/zinc/10/25/35/805102535.db2.gz CBSINSIVNNVXPR-QMMMGPOBSA-N -1 0 311.354 -0.147 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H]3COC[C@@H]32)C1 ZINC000817907170 805103468 /nfs/dbraw/zinc/10/34/68/805103468.db2.gz LHFDXZLTPYQFGE-ZETOZRRWSA-N -1 0 310.350 -0.053 20 0 DBADRM COC[C@@H](C(N)=O)N(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000817936351 805103728 /nfs/dbraw/zinc/10/37/28/805103728.db2.gz NYVPGCVNLRHSOE-LURJTMIESA-N -1 0 313.276 -0.598 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H](COC)[C@@H]1CCCOC1 ZINC000884448054 807050251 /nfs/dbraw/zinc/05/02/51/807050251.db2.gz QHMVVHXXOQYTKW-GHMZBOCLSA-N -1 0 303.359 -0.205 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]c1cccc(NC(=O)C(N)=O)c1 ZINC001325205154 807050357 /nfs/dbraw/zinc/05/03/57/807050357.db2.gz IVCCQGFUVRCNMA-UHFFFAOYSA-N -1 0 323.334 -0.355 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H](C)NS(C)(=O)=O ZINC000818309079 805109576 /nfs/dbraw/zinc/10/95/76/805109576.db2.gz NEOQBZVKIBWTRH-KCJUWKMLSA-N -1 0 308.356 -0.984 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CCNS(C)(=O)=O ZINC000818308323 805109998 /nfs/dbraw/zinc/10/99/98/805109998.db2.gz CLVFETICTBFRIX-LLVKDONJSA-N -1 0 308.356 -0.982 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)CN3CCCCC3=O)C2)nn1 ZINC000818318071 805110900 /nfs/dbraw/zinc/11/09/00/805110900.db2.gz PSHGMFOIUAXEJM-SNVBAGLBSA-N -1 0 321.337 -0.238 20 0 DBADRM CNC(=O)C1(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CCC1 ZINC000818319781 805111067 /nfs/dbraw/zinc/11/10/67/805111067.db2.gz KYZWTMUAXUEJDQ-VIFPVBQESA-N -1 0 321.337 -0.334 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000818325762 805111315 /nfs/dbraw/zinc/11/13/15/805111315.db2.gz QRJSFVFYZYDFKB-MWLCHTKSSA-N -1 0 307.368 -0.241 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])C[C@H](C)S1 ZINC000884473859 807051171 /nfs/dbraw/zinc/05/11/71/807051171.db2.gz JQAVMQRLRSKTDT-DTORHVGOSA-N -1 0 304.368 -0.444 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCCS2)CCO1 ZINC000884482151 807051696 /nfs/dbraw/zinc/05/16/96/807051696.db2.gz WWDRVVOUNIZTCX-ZJUUUORDSA-N -1 0 316.379 -0.300 20 0 DBADRM Cc1cnc(N)c(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC000819094626 805121351 /nfs/dbraw/zinc/12/13/51/805121351.db2.gz NZRTWLUBAMGZDQ-NSHDSACASA-N -1 0 301.324 -0.818 20 0 DBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2c(cn1)OCCO2 ZINC000820067398 805143059 /nfs/dbraw/zinc/14/30/59/805143059.db2.gz DIXIKBJMKGEAHH-QMMMGPOBSA-N -1 0 316.335 -0.053 20 0 DBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C[C@@H](C)n1cccn1 ZINC000820245264 805149633 /nfs/dbraw/zinc/14/96/33/805149633.db2.gz BQFVAHJHHQYOPK-SNVBAGLBSA-N -1 0 304.372 -0.227 20 0 DBADRM COc1cc(CC(=O)Nn2c(=O)[n-][nH]c2=O)cc(OC)c1O ZINC000820288368 805151538 /nfs/dbraw/zinc/15/15/38/805151538.db2.gz JWVYLHDMNWPQJZ-UHFFFAOYSA-N -1 0 310.266 -0.275 20 0 DBADRM CCCC[C@H](NC(=O)NCC)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000820282268 805152156 /nfs/dbraw/zinc/15/21/56/805152156.db2.gz MOCSWLLEOSBHNY-ZETCQYMHSA-N -1 0 300.319 -0.363 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000820289219 805152179 /nfs/dbraw/zinc/15/21/79/805152179.db2.gz UHQYVCUGNFCEIX-IUYQGCFVSA-N -1 0 309.204 -0.784 20 0 DBADRM O=C(C[C@@H]1Oc2ccccc2NC1=O)Nn1c(=O)[n-][nH]c1=O ZINC000820293136 805152896 /nfs/dbraw/zinc/15/28/96/805152896.db2.gz ZKAMLJHWRKCVDB-QMMMGPOBSA-N -1 0 305.250 -0.451 20 0 DBADRM CCS(=O)(=O)c1ccccc1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000820291707 805153120 /nfs/dbraw/zinc/15/31/20/805153120.db2.gz KHBGGXWNMSUOMN-UHFFFAOYSA-N -1 0 312.307 -0.133 20 0 DBADRM CCCCC(=O)N1CSC[C@@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000820292063 805153438 /nfs/dbraw/zinc/15/34/38/805153438.db2.gz OJCFYXJUVKAJEF-SSDOTTSWSA-N -1 0 315.355 -0.149 20 0 DBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1cc2c(cn1)OCCO2 ZINC000820633014 805161990 /nfs/dbraw/zinc/16/19/90/805161990.db2.gz URQADYCXDFVUOZ-UHFFFAOYSA-N -1 0 324.318 -0.295 20 0 DBADRM COC[C@H](CCO)NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820710311 805163580 /nfs/dbraw/zinc/16/35/80/805163580.db2.gz LGLBQQCHOVHMMR-VIFPVBQESA-N -1 0 310.306 -0.163 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)CC(C)(C)C)c1 ZINC000821261260 805176832 /nfs/dbraw/zinc/17/68/32/805176832.db2.gz QGBKTCRZASLNBN-WPRPVWTQSA-N -1 0 319.383 -0.051 20 0 DBADRM CC(C)(CO)O[N-]C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000821232911 805177064 /nfs/dbraw/zinc/17/70/64/805177064.db2.gz UUASGGZJBAMQTB-NEPJUHHUSA-N -1 0 302.371 -0.315 20 0 DBADRM CCc1nn(Cc2ncnn2C)c(=O)c(-c2nnn[n-]2)c1CC ZINC000821516805 805185524 /nfs/dbraw/zinc/18/55/24/805185524.db2.gz CKNOPUWVYFWNQF-UHFFFAOYSA-N -1 0 315.341 -0.275 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CC2(O)CCC2)c1 ZINC000821667188 805186278 /nfs/dbraw/zinc/18/62/78/805186278.db2.gz YXFVDIJJORXINJ-UHFFFAOYSA-N -1 0 305.294 -0.270 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]1CCCO1 ZINC000821598702 805186345 /nfs/dbraw/zinc/18/63/45/805186345.db2.gz PATGPHRRHBOQNI-NXEZZACHSA-N -1 0 323.367 -0.420 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCCCCNC(C)=O ZINC000821598907 805186824 /nfs/dbraw/zinc/18/68/24/805186824.db2.gz XZQWSSRQAUAXMU-UHFFFAOYSA-N -1 0 322.383 -0.308 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)Cc1c(C)noc1C ZINC000821597290 805186839 /nfs/dbraw/zinc/18/68/39/805186839.db2.gz NOAVDZKKPFGEOL-UHFFFAOYSA-N -1 0 304.324 -0.157 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cnn(Cc2ccccc2)c1 ZINC000821743441 805190073 /nfs/dbraw/zinc/19/00/73/805190073.db2.gz CHSJDIKKSRCSOV-UHFFFAOYSA-N -1 0 316.317 -0.138 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCO[C@H]([C@@H](C)O)C2)cc1=O ZINC000822847783 805214727 /nfs/dbraw/zinc/21/47/27/805214727.db2.gz QGGBAZNJRIWASO-YPMHNXCESA-N -1 0 311.382 -0.017 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC001289430529 805220114 /nfs/dbraw/zinc/22/01/14/805220114.db2.gz UAUCACNAOMBRCU-SECBINFHSA-N -1 0 301.343 -0.946 20 0 DBADRM C[C@@H](C(=O)N1CCOC[C@H]1c1nnn[n-]1)N(C)CC(F)(F)F ZINC000823646285 805237043 /nfs/dbraw/zinc/23/70/43/805237043.db2.gz HGBIMEGPMBWIPM-YUMQZZPRSA-N -1 0 322.291 -0.018 20 0 DBADRM NC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1[O-])C(N)=O ZINC001290504452 805251001 /nfs/dbraw/zinc/25/10/01/805251001.db2.gz FWTQVEIYDZGSIA-UHFFFAOYSA-N -1 0 305.212 -0.520 20 0 DBADRM CC(C)OCCCCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824315482 805256438 /nfs/dbraw/zinc/25/64/38/805256438.db2.gz OTDHSIPYLINZBL-UHFFFAOYSA-N -1 0 308.346 -0.220 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NCCCC(N)=O)cc2=O)n1 ZINC001290927155 805261658 /nfs/dbraw/zinc/26/16/58/805261658.db2.gz SUFYNJAUAYLCED-UHFFFAOYSA-N -1 0 318.337 -0.432 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000824842962 805266366 /nfs/dbraw/zinc/26/63/66/805266366.db2.gz BDTZWVLGAHEEEK-UHFFFAOYSA-N -1 0 302.356 -0.767 20 0 DBADRM CCNS(=O)(=O)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC000825476947 805280539 /nfs/dbraw/zinc/28/05/39/805280539.db2.gz ZHZLNPMYVWUDCL-JTQLQIEISA-N -1 0 323.382 -0.220 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@@H](O)C[C@@]2(C)CO)cc1=O ZINC000825586600 805282738 /nfs/dbraw/zinc/28/27/38/805282738.db2.gz JOWMGURJQNLWFB-WFASDCNBSA-N -1 0 311.382 -0.281 20 0 DBADRM CC[C@@H](C)C(=O)NCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001292518369 805283621 /nfs/dbraw/zinc/28/36/21/805283621.db2.gz KADYJENKPUTJMU-MRVPVSSYSA-N -1 0 311.342 -0.506 20 0 DBADRM CCCCS(=O)(=O)CC(=O)[N-]OCCN1CCCC1=O ZINC000825565377 805283736 /nfs/dbraw/zinc/28/37/36/805283736.db2.gz AOFIOKAYGAZMMM-UHFFFAOYSA-N -1 0 306.384 -0.129 20 0 DBADRM CC1(C)C(=O)NCCN1C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000825696089 805284960 /nfs/dbraw/zinc/28/49/60/805284960.db2.gz IKCJMLSGTYOZHQ-UHFFFAOYSA-N -1 0 312.370 -0.545 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cc(-c3nn[nH]n3)cs2)C1=O ZINC000826010950 805289839 /nfs/dbraw/zinc/28/98/39/805289839.db2.gz QZAIRJNCAUJDFG-UHFFFAOYSA-N -1 0 307.295 -0.533 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2ccc(-c3nn[nH]n3)s2)C1=O ZINC000826010088 805289869 /nfs/dbraw/zinc/28/98/69/805289869.db2.gz CDWLOHOOJIXZSX-UHFFFAOYSA-N -1 0 307.295 -0.533 20 0 DBADRM COC(=O)[C@H]1C[C@H]1C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001292571243 805296590 /nfs/dbraw/zinc/29/65/90/805296590.db2.gz WLPTWYNWYJVOPK-SFYZADRCSA-N -1 0 310.310 -0.921 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2CCCOCC2)n(C)c1=O ZINC000826355804 805308001 /nfs/dbraw/zinc/30/80/01/805308001.db2.gz NRNWRICVKCVJFR-MRVPVSSYSA-N -1 0 321.341 -0.755 20 0 DBADRM Cc1ncc(CC(=O)NCCNC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001292645672 805313132 /nfs/dbraw/zinc/31/31/32/805313132.db2.gz XTKUDTHVMDFBJZ-UHFFFAOYSA-N -1 0 307.310 -0.191 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000827046322 805325328 /nfs/dbraw/zinc/32/53/28/805325328.db2.gz SBTQUQQHNIQJSD-VIFPVBQESA-N -1 0 309.388 -0.228 20 0 DBADRM O=C(NCCNC(=O)[C@@H]1CC12CCC2)c1n[nH]c(=O)[n-]c1=O ZINC001292748166 805333204 /nfs/dbraw/zinc/33/32/04/805333204.db2.gz SSPHCAYKXHKNGM-ZETCQYMHSA-N -1 0 307.310 -0.681 20 0 DBADRM C[C@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)CC[C@@H]1C(=O)[O-] ZINC000827903342 805356200 /nfs/dbraw/zinc/35/62/00/805356200.db2.gz ZTCFOHQJVOINKB-QWRGUYRKSA-N -1 0 322.365 -0.050 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)n1 ZINC000827965639 805357262 /nfs/dbraw/zinc/35/72/62/805357262.db2.gz DWUWPJKJOMTPPR-DTWKUNHWSA-N -1 0 324.341 -0.259 20 0 DBADRM O=C(c1cnc2c[nH]nc2c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001292975602 805367782 /nfs/dbraw/zinc/36/77/82/805367782.db2.gz FDQOFIVXWPCPNK-JTQLQIEISA-N -1 0 300.282 -0.315 20 0 DBADRM O=C(c1cnc2nccn2c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001292976096 805368559 /nfs/dbraw/zinc/36/85/59/805368559.db2.gz NMQXAAAKEGVVHY-VIFPVBQESA-N -1 0 300.282 -0.544 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)n1 ZINC000828552568 805376946 /nfs/dbraw/zinc/37/69/46/805376946.db2.gz UCOONXXWUSYZDG-HTQZYQBOSA-N -1 0 310.314 -0.601 20 0 DBADRM CC[S@@](=O)CCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000829294823 805393469 /nfs/dbraw/zinc/39/34/69/805393469.db2.gz XZBXNSUTUDOFOK-QGZVFWFLSA-N -1 0 312.394 -0.112 20 0 DBADRM CCCN1C(=O)C(=O)N(CN2CC[C@](F)(C(=O)[O-])C2)C1=O ZINC000829502107 805396089 /nfs/dbraw/zinc/39/60/89/805396089.db2.gz MEEVLGMWMUUBNI-GFCCVEGCSA-N -1 0 301.274 -0.357 20 0 DBADRM O=C([O-])C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCOC2)CCO1 ZINC000829896180 805404305 /nfs/dbraw/zinc/40/43/05/805404305.db2.gz LNUYIDXSFGUQBW-WDEREUQCSA-N -1 0 307.368 -0.082 20 0 DBADRM O=C([O-])[C@@]1(F)CCN(S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000829899726 805405454 /nfs/dbraw/zinc/40/54/54/805405454.db2.gz DHOFOEMARJPISQ-LLVKDONJSA-N -1 0 319.314 -0.147 20 0 DBADRM COC(=O)C1(O)CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC000829964418 805408991 /nfs/dbraw/zinc/40/89/91/805408991.db2.gz GNGXCGHAYAIWCT-UHFFFAOYSA-N -1 0 312.244 -0.810 20 0 DBADRM O=C([O-])[C@]12CN(S(=O)(=O)Cc3ccon3)C[C@H]1COCC2 ZINC000830058526 805417569 /nfs/dbraw/zinc/41/75/69/805417569.db2.gz TZVNICVVWLMDCS-JOYOIKCWSA-N -1 0 316.335 -0.073 20 0 DBADRM O=C([O-])[C@]12CN(S(=O)(=O)[C@H]3CCOC3)C[C@H]1COCC2 ZINC000830057598 805417977 /nfs/dbraw/zinc/41/79/77/805417977.db2.gz BUDMLFWLWPCUMW-JBLDHEPKSA-N -1 0 305.352 -0.472 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1 ZINC000830058578 805418008 /nfs/dbraw/zinc/41/80/08/805418008.db2.gz VOCWFPROTBHCJN-NTZNESFSSA-N -1 0 318.395 -0.004 20 0 DBADRM Cn1c(CCNC(=O)Cn2c(=O)[n-][nH]c2=O)nc2ccccc21 ZINC001293491399 805427850 /nfs/dbraw/zinc/42/78/50/805427850.db2.gz KLLIYZYMSAANJH-UHFFFAOYSA-N -1 0 316.321 -0.065 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000830789993 805439377 /nfs/dbraw/zinc/43/93/77/805439377.db2.gz LXIJDVKVCTUNLY-WKEGUHRASA-N -1 0 309.244 -0.236 20 0 DBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000830821983 805441207 /nfs/dbraw/zinc/44/12/07/805441207.db2.gz NEVMKHOEMGTOHU-RDDDGLTNSA-N -1 0 307.272 -0.066 20 0 DBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000830821982 805441322 /nfs/dbraw/zinc/44/13/22/805441322.db2.gz NEVMKHOEMGTOHU-HQJQHLMTSA-N -1 0 307.272 -0.066 20 0 DBADRM CNC(=O)NCCC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830802256 805441362 /nfs/dbraw/zinc/44/13/62/805441362.db2.gz RTZQWONDCRUXIC-LLVKDONJSA-N -1 0 324.303 -0.025 20 0 DBADRM O=C([O-])N1CCC(=O)[C@H](OC(=O)CNC(=O)c2cccnc2)C1 ZINC000831492526 805454683 /nfs/dbraw/zinc/45/46/83/805454683.db2.gz DJABYWCOMRJUKU-LLVKDONJSA-N -1 0 321.289 -0.324 20 0 DBADRM O=C([O-])N1CCC(=O)[C@@H](OC(=O)CNC(=O)c2cccnc2)C1 ZINC000831492527 805454775 /nfs/dbraw/zinc/45/47/75/805454775.db2.gz DJABYWCOMRJUKU-NSHDSACASA-N -1 0 321.289 -0.324 20 0 DBADRM O=C([O-])N1CCC[C@@H]1CNc1ccc(C(=O)NCCO)nn1 ZINC000831692734 805460644 /nfs/dbraw/zinc/46/06/44/805460644.db2.gz ALQVEZLOSWZNGV-SECBINFHSA-N -1 0 309.326 -0.247 20 0 DBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2CCS(=O)CC2)C1 ZINC000831996952 805470104 /nfs/dbraw/zinc/47/01/04/805470104.db2.gz KVHQHTVHQAOPFA-JTQLQIEISA-N -1 0 304.368 -0.264 20 0 DBADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)OCCN2C(=O)CNC2=O)C1 ZINC000832331686 805478431 /nfs/dbraw/zinc/47/84/31/805478431.db2.gz IGVDRTMQCTWMTQ-IUCAKERBSA-N -1 0 313.310 -0.092 20 0 DBADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)OCCN2C(=O)CNC2=O)C1 ZINC000832331687 805478967 /nfs/dbraw/zinc/47/89/67/805478967.db2.gz IGVDRTMQCTWMTQ-RKDXNWHRSA-N -1 0 313.310 -0.092 20 0 DBADRM CCCCC(=O)N1CSC[C@H]1C(=O)NCC(=O)[N-]OC ZINC000832766817 805490410 /nfs/dbraw/zinc/49/04/10/805490410.db2.gz OLAIJSXDFWDTHJ-VIFPVBQESA-N -1 0 303.384 -0.128 20 0 DBADRM CO[N-]C(=O)CNC(=O)CNC(=O)CCc1ccc(C)cc1 ZINC000832770054 805491676 /nfs/dbraw/zinc/49/16/76/805491676.db2.gz SVTVNZRTOLANOR-UHFFFAOYSA-N -1 0 307.350 -0.162 20 0 DBADRM O=C([O-])[C@]1(F)CCN(CC(=O)NCCCN2CCCC2=O)C1 ZINC000833104498 805493731 /nfs/dbraw/zinc/49/37/31/805493731.db2.gz CMJFXDHQDOJACH-AWEZNQCLSA-N -1 0 315.345 -0.386 20 0 DBADRM NS(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000833088741 805494189 /nfs/dbraw/zinc/49/41/89/805494189.db2.gz UGKANIXKXRPNAH-LLVKDONJSA-N -1 0 317.342 -0.228 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)no1 ZINC000832892324 805494341 /nfs/dbraw/zinc/49/43/41/805494341.db2.gz VWIAFPYLFDMPGV-SECBINFHSA-N -1 0 324.337 -0.071 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)C(=O)[O-] ZINC000833517427 805495008 /nfs/dbraw/zinc/49/50/08/805495008.db2.gz AYIXRLIZGFWYBT-IJLUTSLNSA-N -1 0 320.411 -0.432 20 0 DBADRM O=C([O-])Cn1cc(CCOc2ccc(-n3cnnn3)cc2)nn1 ZINC000833271682 805495139 /nfs/dbraw/zinc/49/51/39/805495139.db2.gz MYXUZIHKXWRILV-UHFFFAOYSA-N -1 0 315.293 -0.040 20 0 DBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCOC3(CCOCC3)C2)C1 ZINC000834159394 805496259 /nfs/dbraw/zinc/49/62/59/805496259.db2.gz PSUVRMGIKDPVDT-LLVKDONJSA-N -1 0 313.354 -0.306 20 0 DBADRM Cn1cc([C@H]2CN(CN3C[C@H](NC(=O)[O-])CC3=O)CCO2)cn1 ZINC000833948005 805496264 /nfs/dbraw/zinc/49/62/64/805496264.db2.gz RLRRFHFZETVQHC-VXGBXAGGSA-N -1 0 323.353 -0.381 20 0 DBADRM COC(=O)CCNC(=O)CN1CCN(C(=O)[O-])[C@H](C)[C@H]1C ZINC000833880466 805496324 /nfs/dbraw/zinc/49/63/24/805496324.db2.gz XUVQVGXOESZRRB-NXEZZACHSA-N -1 0 301.343 -0.262 20 0 DBADRM C[C@@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@H]1CCCO1 ZINC000834325048 805497397 /nfs/dbraw/zinc/49/73/97/805497397.db2.gz SSCJTPNKVYPLTA-VHSXEESVSA-N -1 0 306.384 -0.226 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(Cl)nc1N ZINC000834324900 805497704 /nfs/dbraw/zinc/49/77/04/805497704.db2.gz MXMYQYWVWYNVIY-UHFFFAOYSA-N -1 0 320.758 -0.487 20 0 DBADRM COCCCOCCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000834324713 805497715 /nfs/dbraw/zinc/49/77/15/805497715.db2.gz GXUQQVLLOJDAQK-UHFFFAOYSA-N -1 0 310.372 -0.988 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)c2c[n-]n3c2nccc3=O)cn1 ZINC001294720229 805502569 /nfs/dbraw/zinc/50/25/69/805502569.db2.gz KGOAOBOWJUTXBV-SNVBAGLBSA-N -1 0 302.294 -0.781 20 0 DBADRM CC(C)(O)CO[N-]C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000834622326 805513356 /nfs/dbraw/zinc/51/33/56/805513356.db2.gz UESIYGPGFOJVDG-QWRGUYRKSA-N -1 0 309.322 -0.224 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccn3nnnc3c2)C1=O ZINC000834790083 805517073 /nfs/dbraw/zinc/51/70/73/805517073.db2.gz OGPBMKWYYKUGPX-GFCCVEGCSA-N -1 0 303.282 -0.510 20 0 DBADRM CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)C(C)(C)C ZINC000835185254 805519518 /nfs/dbraw/zinc/51/95/18/805519518.db2.gz QVZVBPXBOKHTAF-SNVBAGLBSA-N -1 0 321.399 -0.770 20 0 DBADRM C[C@@H](Oc1ccccn1)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000835185479 805519789 /nfs/dbraw/zinc/51/97/89/805519789.db2.gz SWWUTWNAQWSKCY-SNVBAGLBSA-N -1 0 315.351 -0.458 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)OC)C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000835335536 805520928 /nfs/dbraw/zinc/52/09/28/805520928.db2.gz SRCMELOWXKALBW-CBAPKCEASA-N -1 0 318.355 -0.015 20 0 DBADRM CC/C(C)=C/C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000835463064 805521151 /nfs/dbraw/zinc/52/11/51/805521151.db2.gz DNKBUQXYYRFOLY-MDZDMXLPSA-N -1 0 303.384 -0.132 20 0 DBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)CCC1CCCC1 ZINC000835949277 805522293 /nfs/dbraw/zinc/52/22/93/805522293.db2.gz CUIKQEFYKIGTON-UHFFFAOYSA-N -1 0 318.395 -0.129 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cn1 ZINC000836042040 805523420 /nfs/dbraw/zinc/52/34/20/805523420.db2.gz PQTOWWNGLCQJDP-SNVBAGLBSA-N -1 0 317.342 -0.254 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000836897161 805529592 /nfs/dbraw/zinc/52/95/92/805529592.db2.gz DLSDGJAQPOYAEI-RYUDHWBXSA-N -1 0 312.370 -0.033 20 0 DBADRM CC(C)[C@@H](C(=O)[N-]OC(C)(C)CO)N1CCCS1(=O)=O ZINC000836805023 805529833 /nfs/dbraw/zinc/52/98/33/805529833.db2.gz RJPQCQHUFCLAHB-JTQLQIEISA-N -1 0 308.400 -0.135 20 0 DBADRM CN(CCO)c1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001295090178 805530823 /nfs/dbraw/zinc/53/08/23/805530823.db2.gz ZJSYDRXMZMMUKS-UHFFFAOYSA-N -1 0 307.310 -0.244 20 0 DBADRM O=C(c1cc(=O)[nH][n-]1)N(CCN1CCOCC1)Cc1ccco1 ZINC000837151577 805531205 /nfs/dbraw/zinc/53/12/05/805531205.db2.gz VVQQQUKHTCOVLD-UHFFFAOYSA-N -1 0 320.349 -0.184 20 0 DBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2c[nH]nc2Cl)nn1 ZINC000837291017 805533032 /nfs/dbraw/zinc/53/30/32/805533032.db2.gz CCQBXXGMUHIDOF-UHFFFAOYSA-N -1 0 320.718 -0.669 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC000838800687 805545475 /nfs/dbraw/zinc/54/54/75/805545475.db2.gz JXTOVCHPGTZZAS-RKDXNWHRSA-N -1 0 321.351 -0.415 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2 ZINC000838845315 805546522 /nfs/dbraw/zinc/54/65/22/805546522.db2.gz OBDFFAYKSOIRCB-UHFFFAOYSA-N -1 0 315.351 -0.158 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CSCCS1 ZINC000838844870 805547143 /nfs/dbraw/zinc/54/71/43/805547143.db2.gz DUWFBDCBMAHUGZ-SSDOTTSWSA-N -1 0 313.422 -0.156 20 0 DBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1cn(C)nn1 ZINC000838891979 805548291 /nfs/dbraw/zinc/54/82/91/805548291.db2.gz BPXYTMPYKGLZJI-SECBINFHSA-N -1 0 318.355 -0.394 20 0 DBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000840943846 805570471 /nfs/dbraw/zinc/57/04/71/805570471.db2.gz FTJJIXLTJMUVFJ-DTORHVGOSA-N -1 0 309.322 -0.170 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000883637005 807019186 /nfs/dbraw/zinc/01/91/86/807019186.db2.gz FLNWBHCNTJYHNS-OUAUKWLOSA-N -1 0 316.354 -0.572 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000883637017 807019463 /nfs/dbraw/zinc/01/94/63/807019463.db2.gz FPTZZOQLDOYPSJ-OUAUKWLOSA-N -1 0 314.338 -0.818 20 0 DBADRM Cc1c(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cnn1CC(C)C ZINC001325066990 807029772 /nfs/dbraw/zinc/02/97/72/807029772.db2.gz VHSREBUNYXGGMG-UHFFFAOYSA-N -1 0 321.341 -0.074 20 0 DBADRM COc1nn(C)cc1C(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000883967527 807030409 /nfs/dbraw/zinc/03/04/09/807030409.db2.gz SUVXCJHDRSUVSC-MRVPVSSYSA-N -1 0 309.355 -0.128 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N1CCc2ccccc2C1 ZINC000884474444 807050580 /nfs/dbraw/zinc/05/05/80/807050580.db2.gz AFUYBDRSBGLBIO-UHFFFAOYSA-N -1 0 306.318 -0.211 20 0 DBADRM C[C@@H]1CSCCN(C(=O)C(=O)NCCOCC(=O)[O-])C1 ZINC000884474563 807050704 /nfs/dbraw/zinc/05/07/04/807050704.db2.gz FDIWUWHQUIKNNH-VIFPVBQESA-N -1 0 304.368 -0.585 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(F)F)[C@@H](C)O ZINC000885505052 807095605 /nfs/dbraw/zinc/09/56/05/807095605.db2.gz FZCCKLRNBXERMW-BKPPORCPSA-N -1 0 301.311 -0.127 20 0 DBADRM O=C(N[C@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC=CC1 ZINC001325837793 807107844 /nfs/dbraw/zinc/10/78/44/807107844.db2.gz SEWDNIJEKVWPHQ-OAHLLOKOSA-N -1 0 321.381 -0.080 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2cccc3c2CCN(C)C3)n1 ZINC000886419609 807131147 /nfs/dbraw/zinc/13/11/47/807131147.db2.gz CTIKXUFEXPOMQX-UHFFFAOYSA-N -1 0 308.367 -0.001 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3[C@H](O)CC[C@@H]3C2)C1 ZINC000887052430 807146795 /nfs/dbraw/zinc/14/67/95/807146795.db2.gz VMXWWMUQSQAGJT-WISYIIOYSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3[C@H](O)CC[C@@H]3C2)C1 ZINC000887052205 807146982 /nfs/dbraw/zinc/14/69/82/807146982.db2.gz OABKUDNFEQQMJT-FVCCEPFGSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000887052280 807147091 /nfs/dbraw/zinc/14/70/91/807147091.db2.gz QJCPJZUFPOXNAH-UTUOFQBUSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N(CC(F)F)C2CCC2)CCO1 ZINC000887057772 807147100 /nfs/dbraw/zinc/14/71/00/807147100.db2.gz WWXZGAOLSQUBFY-VIFPVBQESA-N -1 0 320.292 -0.055 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3[C@H](O)CC[C@@H]3C2)C1 ZINC000887052429 807147125 /nfs/dbraw/zinc/14/71/25/807147125.db2.gz VMXWWMUQSQAGJT-NOOOWODRSA-N -1 0 310.350 -0.461 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC001326189450 807158357 /nfs/dbraw/zinc/15/83/57/807158357.db2.gz ZRUSQOXHKFAQHE-JTQLQIEISA-N -1 0 324.337 -0.161 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)Cc1ccn(C)n1 ZINC001326205118 807159985 /nfs/dbraw/zinc/15/99/85/807159985.db2.gz YIJXZUITTVDZBK-UHFFFAOYSA-N -1 0 305.356 -0.928 20 0 DBADRM CC(=O)N1CCC[C@@H](CNC(=O)C(=O)NCCCC(=O)[O-])C1 ZINC001326279316 807167219 /nfs/dbraw/zinc/16/72/19/807167219.db2.gz XIKBDCAYHPVGAH-NSHDSACASA-N -1 0 313.354 -0.658 20 0 DBADRM C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC001326344939 807172387 /nfs/dbraw/zinc/17/23/87/807172387.db2.gz XSONGWPLZGUWGO-SSDOTTSWSA-N -1 0 304.314 -0.378 20 0 DBADRM C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001326343375 807172639 /nfs/dbraw/zinc/17/26/39/807172639.db2.gz PBQNJEFLHRVVSV-SSDOTTSWSA-N -1 0 319.325 -0.067 20 0 DBADRM CCOCCO[C@H](C)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001326398166 807178130 /nfs/dbraw/zinc/17/81/30/807178130.db2.gz SMAULYXYZSGVCC-SNVBAGLBSA-N -1 0 313.358 -0.549 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N1CCC(Cn2cnnc2)CC1 ZINC001326548804 807193537 /nfs/dbraw/zinc/19/35/37/807193537.db2.gz NAEFJXZQCXOWBH-UHFFFAOYSA-N -1 0 309.326 -0.892 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCCOC1CCCC1 ZINC001326632698 807200532 /nfs/dbraw/zinc/20/05/32/807200532.db2.gz LVPSJJANETXZFU-UHFFFAOYSA-N -1 0 315.370 -0.364 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCc1nc([C@H]2CCCO2)n[nH]1 ZINC001326743186 807209123 /nfs/dbraw/zinc/20/91/23/807209123.db2.gz HDVCGMFPHILXPL-MRVPVSSYSA-N -1 0 312.330 -0.477 20 0 DBADRM C[C@@]1(C(=O)NCC2([NH2+]Cc3n[nH]c(=O)[n-]3)CCC2)CCNC1=O ZINC001326889420 807222148 /nfs/dbraw/zinc/22/21/48/807222148.db2.gz KPHYBZHZTOPBSI-CYBMUJFWSA-N -1 0 322.369 -0.835 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC(C)(C)OCC1CC1 ZINC001327016435 807233025 /nfs/dbraw/zinc/23/30/25/807233025.db2.gz LYMOQITWBGXOHF-UHFFFAOYSA-N -1 0 315.370 -0.508 20 0 DBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)C2)O1 ZINC000898709744 807234684 /nfs/dbraw/zinc/23/46/84/807234684.db2.gz NQDMTSIXVAHVQB-SUNKGSAMSA-N -1 0 316.354 -0.477 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCS[C@H](C(C)C)C1 ZINC001327039230 807236251 /nfs/dbraw/zinc/23/62/51/807236251.db2.gz VBHSUZUSXDSKQY-JTQLQIEISA-N -1 0 317.411 -0.230 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(CC3CC3)C2)CCO1 ZINC000898863347 807240129 /nfs/dbraw/zinc/24/01/29/807240129.db2.gz HRMKRCHSWLXJMH-QWRGUYRKSA-N -1 0 311.338 -0.508 20 0 DBADRM Cc1ccn2ncc(C(=O)[N-]N3C(=O)[C@H](C)N(C)C3=O)c2n1 ZINC000899032427 807243756 /nfs/dbraw/zinc/24/37/56/807243756.db2.gz TWWWSENODPNOSI-QMMMGPOBSA-N -1 0 302.294 -0.035 20 0 DBADRM CCN([C@H](C)C(=O)[O-])S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000899565612 807263600 /nfs/dbraw/zinc/26/36/00/807263600.db2.gz HDWIOQFSDZELGY-SCZZXKLOSA-N -1 0 304.368 -0.126 20 0 DBADRM COC(COCCNC(=O)CSc1n[nH]c(=O)[n-]1)OC ZINC001327412054 807278216 /nfs/dbraw/zinc/27/82/16/807278216.db2.gz RYBWOXGURMHQJL-UHFFFAOYSA-N -1 0 306.344 -0.646 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cn1ncc2ccccc2c1=O ZINC001327427500 807281378 /nfs/dbraw/zinc/28/13/78/807281378.db2.gz MPJKWAZMDIKTKO-UHFFFAOYSA-N -1 0 304.306 -0.420 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1cccc(NC(C)=O)c1 ZINC001327432573 807282097 /nfs/dbraw/zinc/28/20/97/807282097.db2.gz PGLNCCAXSVHUGC-UHFFFAOYSA-N -1 0 309.322 -0.045 20 0 DBADRM NC(=O)CN1CCC[C@H](NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC001327477612 807288643 /nfs/dbraw/zinc/28/86/43/807288643.db2.gz MVIIDLFHOUHZFM-XHDPSFHLSA-N -1 0 309.366 -0.137 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])n1 ZINC001327500698 807293715 /nfs/dbraw/zinc/29/37/15/807293715.db2.gz NMOGDPMNDRZRPB-VIFPVBQESA-N -1 0 308.338 -0.377 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)c1nc(C)cs1 ZINC001327507748 807295697 /nfs/dbraw/zinc/29/56/97/807295697.db2.gz OQPXIOZXZNQSBB-MRVPVSSYSA-N -1 0 314.367 -0.187 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H](C)c1nccs1 ZINC001327525520 807298955 /nfs/dbraw/zinc/29/89/55/807298955.db2.gz KSTLRDVIMAMBJT-QMMMGPOBSA-N -1 0 314.367 -0.453 20 0 DBADRM CCO[N-]C(=O)CNC(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC001327549973 807301427 /nfs/dbraw/zinc/30/14/27/807301427.db2.gz CTBJTRDAQKSOIM-UHFFFAOYSA-N -1 0 321.399 -0.432 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](CC)O[C@@H](CC)C1 ZINC001327571947 807305897 /nfs/dbraw/zinc/30/58/97/807305897.db2.gz RWVKLQRQTZOSSX-QWRGUYRKSA-N -1 0 315.370 -0.414 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)CCN(C)C2=O ZINC001327596482 807310232 /nfs/dbraw/zinc/31/02/32/807310232.db2.gz PMXOSZPYYBBTJB-UHFFFAOYSA-N -1 0 321.333 -0.053 20 0 DBADRM O=CN1CCCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC001327605834 807311509 /nfs/dbraw/zinc/31/15/09/807311509.db2.gz AHOQUWBKAYSGML-UHFFFAOYSA-N -1 0 317.305 -0.260 20 0 DBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)/C=C/c1ccncn1)OC ZINC001327616990 807314017 /nfs/dbraw/zinc/31/40/17/807314017.db2.gz ODBSMHJVAXTIPB-PGLGOXFNSA-N -1 0 315.351 -0.403 20 0 DBADRM C/C(=C/C(=O)N1CCO[C@H](c2nnn[n-]2)C1)CN1CCOCC1 ZINC000900626492 807314657 /nfs/dbraw/zinc/31/46/57/807314657.db2.gz RZLOOOBICVUNJV-KGTBHZDVSA-N -1 0 322.369 -0.622 20 0 DBADRM O=C([N-]OCCC(F)(F)F)C(=O)NC[C@H]1COCCO1 ZINC001327732900 807329490 /nfs/dbraw/zinc/32/94/90/807329490.db2.gz KGQXKWHSEMOGKF-ZETCQYMHSA-N -1 0 300.233 -0.482 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NC[C@H]1CCCNC1=O ZINC001327805861 807339340 /nfs/dbraw/zinc/33/93/40/807339340.db2.gz NSJNSQSVSAYZDD-MRVPVSSYSA-N -1 0 320.305 -0.639 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CNC(=O)c3ccccc32)CCO1 ZINC000901449362 807364619 /nfs/dbraw/zinc/36/46/19/807364619.db2.gz PUDVAVWSJQIDRB-VXGBXAGGSA-N -1 0 304.302 -0.174 20 0 DBADRM CN1C(=O)COc2ccc(C(=O)N3CCOC[C@H]3C(=O)[O-])cc21 ZINC000901571097 807364877 /nfs/dbraw/zinc/36/48/77/807364877.db2.gz FEMLBWBUAKCGMW-NSHDSACASA-N -1 0 320.301 -0.033 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N(C)c1ccc(N2CCOCC2)nc1 ZINC000901616953 807365529 /nfs/dbraw/zinc/36/55/29/807365529.db2.gz GVWXDHVYXLTDQH-LBPRGKRZSA-N -1 0 309.322 -0.019 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000901625987 807365574 /nfs/dbraw/zinc/36/55/74/807365574.db2.gz HQUJVRMEJXXIQK-PTRXPTGYSA-N -1 0 304.368 -0.411 20 0 DBADRM Cc1c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])ccn1C ZINC000901653142 807365662 /nfs/dbraw/zinc/36/56/62/807365662.db2.gz SULLPIIMGVDNEZ-JTQLQIEISA-N -1 0 300.336 -0.343 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000901789416 807366156 /nfs/dbraw/zinc/36/61/56/807366156.db2.gz LPVISIJTJAZCCY-HFAKWTLXSA-N -1 0 310.350 -0.053 20 0 DBADRM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@@H](OC)C(=O)[O-])C1 ZINC000901704866 807366172 /nfs/dbraw/zinc/36/61/72/807366172.db2.gz LXZRZSDZLXQLFH-LDWIPMOCSA-N -1 0 312.244 -0.387 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000901863006 807366473 /nfs/dbraw/zinc/36/64/73/807366473.db2.gz SNHUXVXBASYANT-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM Cc1nn(C)c(N2CCOCC2)c1CN1CCOC[C@H]1C(=O)[O-] ZINC000901989752 807366976 /nfs/dbraw/zinc/36/69/76/807366976.db2.gz WXWMWUKTOULOOP-ZDUSSCGKSA-N -1 0 324.381 -0.149 20 0 DBADRM Cn1ccnc(N2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2)c1=O ZINC000901917557 807367029 /nfs/dbraw/zinc/36/70/29/807367029.db2.gz KGCJJFADKSZZNM-GHMZBOCLSA-N -1 0 320.349 -0.460 20 0 DBADRM CCN(CC(=O)N(C)C)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC000901909206 807367521 /nfs/dbraw/zinc/36/75/21/807367521.db2.gz HZUSQDIEHBZCIR-UHFFFAOYSA-N -1 0 309.322 -0.517 20 0 DBADRM CCN1CCN(CC(=O)N2CCC[C@@]2(C)C(=O)[O-])C(=O)C1=O ZINC000902120357 807367716 /nfs/dbraw/zinc/36/77/16/807367716.db2.gz SBZYOVAFKFFGPQ-AWEZNQCLSA-N -1 0 311.338 -0.857 20 0 DBADRM COCCn1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC000902061994 807368337 /nfs/dbraw/zinc/36/83/37/807368337.db2.gz YVQCXPULUXNGJI-BXUZGUMPSA-N -1 0 309.322 -0.297 20 0 DBADRM O=C([O-])C1(C(=O)N2CCN(c3nccnn3)CC2)CC=CC1 ZINC000902137051 807368491 /nfs/dbraw/zinc/36/84/91/807368491.db2.gz ZMFDYHZJFIHAMQ-UHFFFAOYSA-N -1 0 303.322 -0.059 20 0 DBADRM CCOC[C@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)CCO1 ZINC000902186526 807369578 /nfs/dbraw/zinc/36/95/78/807369578.db2.gz FWBIBBCDPOYNGZ-LLVKDONJSA-N -1 0 324.333 -0.190 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCOc1cccnc1 ZINC001328036613 807370269 /nfs/dbraw/zinc/37/02/69/807370269.db2.gz HADBNPGFNCYFGR-LLVKDONJSA-N -1 0 309.322 -0.339 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CSCN2C(C)=O)C1 ZINC000902311490 807371597 /nfs/dbraw/zinc/37/15/97/807371597.db2.gz QRDKYWLBUCSWQU-MFKMUULPSA-N -1 0 316.379 -0.143 20 0 DBADRM COCC(=O)N(C)CC(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000902309063 807371754 /nfs/dbraw/zinc/37/17/54/807371754.db2.gz HUMIYNFBTNCOJM-CYBMUJFWSA-N -1 0 302.327 -0.959 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](O)C2CCOCC2)C1 ZINC000902310194 807372037 /nfs/dbraw/zinc/37/20/37/807372037.db2.gz JCUVMKMAQBZUDC-SMDDNHRTSA-N -1 0 301.339 -0.276 20 0 DBADRM COCC(=O)N(C)CC(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000902309064 807372078 /nfs/dbraw/zinc/37/20/78/807372078.db2.gz HUMIYNFBTNCOJM-ZDUSSCGKSA-N -1 0 302.327 -0.959 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)C1 ZINC000902544343 807375316 /nfs/dbraw/zinc/37/53/16/807375316.db2.gz ZYUCKDIDZFBTGT-USZNOCQGSA-N -1 0 310.350 -0.007 20 0 DBADRM CCn1nc(C)c(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)n1 ZINC001328093112 807375690 /nfs/dbraw/zinc/37/56/90/807375690.db2.gz AGROPNMSCPVERQ-JTQLQIEISA-N -1 0 311.342 -0.693 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1)C1CC1 ZINC000902628577 807378644 /nfs/dbraw/zinc/37/86/44/807378644.db2.gz YHMCYMAQRJNDDM-VWYCJHECSA-N -1 0 301.364 -0.010 20 0 DBADRM Cc1cn2c(n1)C[C@@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)CC2 ZINC000902773633 807381678 /nfs/dbraw/zinc/38/16/78/807381678.db2.gz VZUYJVADCFZAAX-NSHDSACASA-N -1 0 320.349 -0.491 20 0 DBADRM CO[C@H](CC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C(F)(F)F ZINC000902772430 807382132 /nfs/dbraw/zinc/38/21/32/807382132.db2.gz RDFIQOHIMYYWII-SSDOTTSWSA-N -1 0 312.244 -0.291 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC001328178900 807389251 /nfs/dbraw/zinc/38/92/51/807389251.db2.gz XTMBQFJECWDBQZ-DTWKUNHWSA-N -1 0 324.424 -0.521 20 0 DBADRM COC(=O)N(C)CCNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001328188925 807390270 /nfs/dbraw/zinc/39/02/70/807390270.db2.gz MDMRAFQLFUYKTK-UHFFFAOYSA-N -1 0 303.315 -0.972 20 0 DBADRM COC[C@@H]1COCCN1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000903530359 807393230 /nfs/dbraw/zinc/39/32/30/807393230.db2.gz BIHJCZVPENWSAH-NXEZZACHSA-N -1 0 308.356 -0.873 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@H](C(=O)[O-])C2CCOCC2)no1 ZINC001328209833 807393902 /nfs/dbraw/zinc/39/39/02/807393902.db2.gz QVGRUVCGEQHGHD-JTQLQIEISA-N -1 0 311.294 -0.082 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCO[C@@H]1CC1(F)F ZINC001328242267 807397737 /nfs/dbraw/zinc/39/77/37/807397737.db2.gz UQBYKRZQSHEUGN-RKDXNWHRSA-N -1 0 308.281 -0.389 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCOCCCO)c1 ZINC001328300240 807408844 /nfs/dbraw/zinc/40/88/44/807408844.db2.gz CLVANWLPUINMOW-UHFFFAOYSA-N -1 0 318.351 -0.832 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC001328335074 807413507 /nfs/dbraw/zinc/41/35/07/807413507.db2.gz XEVTXPOTEKOEKM-MRVPVSSYSA-N -1 0 319.317 -0.110 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCSCC1 ZINC000904941497 807427689 /nfs/dbraw/zinc/42/76/89/807427689.db2.gz YNHPKFZOGBPMLS-UHFFFAOYSA-N -1 0 304.368 -0.489 20 0 DBADRM CC(=O)Nc1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cn1 ZINC001328449091 807427696 /nfs/dbraw/zinc/42/76/96/807427696.db2.gz BSHCEIBNUNIEHD-UHFFFAOYSA-N -1 0 322.321 -0.363 20 0 DBADRM C[C@@H]1CSCCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000904943271 807427872 /nfs/dbraw/zinc/42/78/72/807427872.db2.gz LTSSCOBPKFHGLY-ZJUUUORDSA-N -1 0 316.379 -0.348 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@H](OC)C1 ZINC000904935942 807427901 /nfs/dbraw/zinc/42/79/01/807427901.db2.gz FANNVGBNKLBVFD-NSHDSACASA-N -1 0 316.354 -0.427 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@H](SC)C1 ZINC000904946474 807428419 /nfs/dbraw/zinc/42/84/19/807428419.db2.gz GUSMCHJFNWVQGR-SNVBAGLBSA-N -1 0 318.395 -0.100 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CCN(CC(=O)NC2CC2)CC1)C1CC1 ZINC001328472234 807430772 /nfs/dbraw/zinc/43/07/72/807430772.db2.gz IUNPPFLJMDEYOD-ZDUSSCGKSA-N -1 0 309.366 -0.480 20 0 DBADRM NC(=O)CN1CCC[C@H](NC(=O)[C@@H](C(=O)[O-])C2CCCC2)C1 ZINC001328478802 807431488 /nfs/dbraw/zinc/43/14/88/807431488.db2.gz ROLVGUCEPAIAPU-AAEUAGOBSA-N -1 0 311.382 -0.057 20 0 DBADRM O=C(Cc1nc2ncccn2n1)[N-]S(=O)(=O)c1ccccn1 ZINC001328549953 807441502 /nfs/dbraw/zinc/44/15/02/807441502.db2.gz ABVQISSJJTXWEM-UHFFFAOYSA-N -1 0 318.318 -0.433 20 0 DBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCC1SCCS1 ZINC001328609962 807448283 /nfs/dbraw/zinc/44/82/83/807448283.db2.gz OMAMRPSCKOZIEG-MRVPVSSYSA-N -1 0 306.409 -0.007 20 0 DBADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000905272868 807451859 /nfs/dbraw/zinc/45/18/59/807451859.db2.gz LFKKEXFLSDTIKD-OPRDCNLKSA-N -1 0 304.368 -0.126 20 0 DBADRM CO[C@](C)(C(=O)NCc1nc(=O)o[n-]1)C(=O)OC(C)(C)C ZINC001328648760 807452309 /nfs/dbraw/zinc/45/23/09/807452309.db2.gz SBHZLQXWMPNZTE-GFCCVEGCSA-N -1 0 301.299 -0.274 20 0 DBADRM CCO[N-]C(=O)CNC(=O)CCc1nc(-c2ncccn2)no1 ZINC001328831536 807474361 /nfs/dbraw/zinc/47/43/61/807474361.db2.gz AIXRNVWZLIXTSE-UHFFFAOYSA-N -1 0 320.309 -0.357 20 0 DBADRM O=C([O-])c1occc1CN1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001328974104 807498430 /nfs/dbraw/zinc/49/84/30/807498430.db2.gz UWOLFRAZJMAQLM-UHFFFAOYSA-N -1 0 321.333 -0.099 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC(CC(F)(F)F)C1 ZINC001329001398 807503440 /nfs/dbraw/zinc/50/34/40/807503440.db2.gz UBFLWNGGAXCWLJ-UHFFFAOYSA-N -1 0 311.260 -0.419 20 0 DBADRM CCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1=O ZINC000906933101 807505977 /nfs/dbraw/zinc/50/59/77/807505977.db2.gz OLMCTWPHDDNVOR-UHFFFAOYSA-N -1 0 315.351 -0.424 20 0 DBADRM O=C(c1ccc2c(c1)C(=O)NC2=O)N1CCCS(=O)(=O)CC1 ZINC001329019175 807506027 /nfs/dbraw/zinc/50/60/27/807506027.db2.gz CCDPFMCJFVSVQG-UHFFFAOYSA-N -1 0 322.342 -0.169 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@](F)(CO)C2)cc1C(=O)[O-] ZINC000906973893 807506898 /nfs/dbraw/zinc/50/68/98/807506898.db2.gz FKCHYVRRXZJFGT-LLVKDONJSA-N -1 0 306.315 -0.182 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1ncnn1C ZINC001329062361 807513225 /nfs/dbraw/zinc/51/32/25/807513225.db2.gz RTCGAYZJYKPTQJ-KXUCPTDWSA-N -1 0 323.353 -0.439 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC2(CCC2)OC[C@H]1C ZINC001329113571 807523199 /nfs/dbraw/zinc/52/31/99/807523199.db2.gz LCNXLCAJMSASRF-SNVBAGLBSA-N -1 0 313.354 -0.660 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC001329148350 807528841 /nfs/dbraw/zinc/52/88/41/807528841.db2.gz TZCFTYKQKYGJOH-UWVGGRQHSA-N -1 0 322.383 -0.847 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)[N-]OCCN1CCCC1=O ZINC001329147234 807529067 /nfs/dbraw/zinc/52/90/67/807529067.db2.gz POMARJWXKRKJRX-VIFPVBQESA-N -1 0 318.399 -0.553 20 0 DBADRM CSCC[C@@H](O)C(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907478381 807531162 /nfs/dbraw/zinc/53/11/62/807531162.db2.gz XWGBDGFMTYXLHJ-HTQZYQBOSA-N -1 0 303.413 -0.070 20 0 DBADRM CSCC[C@@H](O)C(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907478395 807531339 /nfs/dbraw/zinc/53/13/39/807531339.db2.gz XWGBDGFMTYXLHJ-JGVFFNPUSA-N -1 0 303.413 -0.070 20 0 DBADRM O=C(/C=C/CN1CCOCC1)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907479792 807531658 /nfs/dbraw/zinc/53/16/58/807531658.db2.gz IHKORRYTCUOVDZ-GXFZAYBSSA-N -1 0 324.410 -0.295 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1c(C2CCC2)cnn1C ZINC001329166041 807531738 /nfs/dbraw/zinc/53/17/38/807531738.db2.gz GRTDLMCGCBVWPA-UHFFFAOYSA-N -1 0 310.354 -0.002 20 0 DBADRM O=C([N-]OCCO)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC000907482800 807532421 /nfs/dbraw/zinc/53/24/21/807532421.db2.gz JNFOWCWIIIJFLN-MWLCHTKSSA-N -1 0 309.240 -0.163 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001329214891 807539221 /nfs/dbraw/zinc/53/92/21/807539221.db2.gz LQRPFLNDHWBNJC-LLVKDONJSA-N -1 0 311.338 -0.692 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC001329364704 807555343 /nfs/dbraw/zinc/55/53/43/807555343.db2.gz OTVHMKPANKMAAB-WCQYABFASA-N -1 0 311.382 -0.234 20 0 DBADRM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000907846551 807556634 /nfs/dbraw/zinc/55/66/34/807556634.db2.gz IQZBTTWDKCOMDR-OPRDCNLKSA-N -1 0 304.368 -0.411 20 0 DBADRM Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC001329470110 807572463 /nfs/dbraw/zinc/57/24/63/807572463.db2.gz QDNLVZCHKBATNA-SECBINFHSA-N -1 0 309.326 -0.540 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCOC[C@@H]2CCO)C1 ZINC000908120592 807575135 /nfs/dbraw/zinc/57/51/35/807575135.db2.gz RFBIMXJXVORSLU-SDDRHHMPSA-N -1 0 301.339 -0.134 20 0 DBADRM COCCNC(=O)Cn1cc(NC(=O)CCCC(=O)[O-])cn1 ZINC001329578855 807588661 /nfs/dbraw/zinc/58/86/61/807588661.db2.gz FVIIBPPHDKCPKL-UHFFFAOYSA-N -1 0 312.326 -0.161 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC[C@H]1O ZINC001329608776 807593240 /nfs/dbraw/zinc/59/32/40/807593240.db2.gz OLGNVWDOBZNYRG-WHOHXGKFSA-N -1 0 312.366 -0.215 20 0 DBADRM CCNC(=O)N1CC[C@@H](NC(=O)C(=O)[N-]OCCSC)C1 ZINC001329639884 807596711 /nfs/dbraw/zinc/59/67/11/807596711.db2.gz PYJMMVIYOYNSIZ-SECBINFHSA-N -1 0 318.399 -0.683 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CC=CC1 ZINC001329651629 807599646 /nfs/dbraw/zinc/59/96/46/807599646.db2.gz JDODLTXULXRUFO-UHFFFAOYSA-N -1 0 307.354 -0.471 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)NC[C@@H]1COCCO1 ZINC000908686533 807602643 /nfs/dbraw/zinc/60/26/43/807602643.db2.gz CVFMYJOSOIHPBA-GHMZBOCLSA-N -1 0 304.343 -0.079 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000908959668 807606009 /nfs/dbraw/zinc/60/60/09/807606009.db2.gz QTLZPCAOESHZIS-JTQLQIEISA-N -1 0 310.354 -0.130 20 0 DBADRM COCCn1cc(C(=O)N2CCSC[C@@H]2CC(=O)[O-])nn1 ZINC000909011352 807606205 /nfs/dbraw/zinc/60/62/05/807606205.db2.gz QHJAKBNMUWOORR-VIFPVBQESA-N -1 0 314.367 -0.043 20 0 DBADRM COc1cc(COCC(=O)N2CCOC[C@H]2C(=O)[O-])ccn1 ZINC000909060520 807607391 /nfs/dbraw/zinc/60/73/91/807607391.db2.gz XUQSBTATRZHISG-NSHDSACASA-N -1 0 310.306 -0.081 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CN(C)S(=O)(=O)N(C)C ZINC000909311042 807613766 /nfs/dbraw/zinc/61/37/66/807613766.db2.gz IMCBJDGZMRINDK-VIFPVBQESA-N -1 0 309.388 -0.564 20 0 DBADRM C[C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)[C@H](C(=O)[O-])C1 ZINC000909783193 807617657 /nfs/dbraw/zinc/61/76/57/807617657.db2.gz ZPXASCVJCNWFKO-UWVGGRQHSA-N -1 0 321.399 -0.564 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CN1CCCCS1(=O)=O ZINC000909807689 807617681 /nfs/dbraw/zinc/61/76/81/807617681.db2.gz UPZDBYBNOULILV-ZJUUUORDSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CN(C)S(=O)(=O)N(C)C ZINC000909807936 807617732 /nfs/dbraw/zinc/61/77/32/807617732.db2.gz IFDWHBMQVWKNLY-DTWKUNHWSA-N -1 0 307.372 -0.954 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)[C@@H](O)C2CCC2)CC1 ZINC000909821971 807617740 /nfs/dbraw/zinc/61/77/40/807617740.db2.gz CZMABQJCBUSCNC-WVDJIFEKSA-N -1 0 303.380 -0.028 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCCC(C)(C)CO ZINC001329786377 807619044 /nfs/dbraw/zinc/61/90/44/807619044.db2.gz FWRFYJNNWBOKCV-UHFFFAOYSA-N -1 0 303.359 -0.915 20 0 DBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCCC1CC(O)C1 ZINC001329807272 807621921 /nfs/dbraw/zinc/62/19/21/807621921.db2.gz OOHJRXIEQPDJIX-UHFFFAOYSA-N -1 0 307.306 -0.005 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)NCc1ncc2c(n1)CCOC2 ZINC001329850771 807630671 /nfs/dbraw/zinc/63/06/71/807630671.db2.gz FRBKIIMEFMRCTN-UHFFFAOYSA-N -1 0 308.338 -0.131 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@@H](C(C)(C)C)C1 ZINC001329869054 807634857 /nfs/dbraw/zinc/63/48/57/807634857.db2.gz XCQAKPUOGQSRBY-SNVBAGLBSA-N -1 0 315.370 -0.556 20 0 DBADRM CN1CCC[C@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)C1=O ZINC001329938573 807644575 /nfs/dbraw/zinc/64/45/75/807644575.db2.gz KIWSZLWNWNDQBV-ZETCQYMHSA-N -1 0 311.260 -0.276 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC001329946682 807645104 /nfs/dbraw/zinc/64/51/04/807645104.db2.gz XOSPAQWEJKAJRO-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N[C@H](C)C(=O)NCC(F)(F)F ZINC001329962541 807649454 /nfs/dbraw/zinc/64/94/54/807649454.db2.gz FRUNVTGYQNHSHS-ANLVUFKYSA-N -1 0 300.233 -0.341 20 0 DBADRM COCCOCCN1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001329963119 807649601 /nfs/dbraw/zinc/64/96/01/807649601.db2.gz LECHLTXUWFFVBW-ZDUSSCGKSA-N -1 0 314.382 -0.096 20 0 DBADRM CN(C)C(=O)CN1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001329963148 807650335 /nfs/dbraw/zinc/65/03/35/807650335.db2.gz LYGCWEYBDATXDD-UHFFFAOYSA-N -1 0 309.366 -0.360 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O ZINC000923197607 807652317 /nfs/dbraw/zinc/65/23/17/807652317.db2.gz NPROPGBPKFATNQ-JTQLQIEISA-N -1 0 306.322 -0.449 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCc2ccnn2C)CC[C@H]1C(=O)[O-] ZINC001330009338 807659095 /nfs/dbraw/zinc/65/90/95/807659095.db2.gz RFLLWCVXYXWRRY-ZYHUDNBSSA-N -1 0 322.365 -0.352 20 0 DBADRM NC(=O)COc1cccc(NC(=O)C(=O)[N-]OCC2CC2)c1 ZINC001330398789 807707190 /nfs/dbraw/zinc/70/71/90/807707190.db2.gz YASRURDDRRDOBP-UHFFFAOYSA-N -1 0 307.306 -0.053 20 0 DBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)[N-]OCC2CC2)n1 ZINC001330397959 807707292 /nfs/dbraw/zinc/70/72/92/807707292.db2.gz QWPHPQNBBMIDGA-UHFFFAOYSA-N -1 0 309.326 -0.632 20 0 DBADRM Cc1csc2ncc(C(=O)Nn3c(=O)[n-][nH]c3=O)c(=O)n12 ZINC001330486880 807722166 /nfs/dbraw/zinc/72/21/66/807722166.db2.gz GZVHVOJSCHXYCN-UHFFFAOYSA-N -1 0 308.279 -0.549 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](O)C2)n1 ZINC001330507554 807725091 /nfs/dbraw/zinc/72/50/91/807725091.db2.gz UJPXFWSABSFRGE-OCAPTIKFSA-N -1 0 310.310 -0.719 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)C(=O)N[C@H](C)C(=O)[O-] ZINC001330507611 807725398 /nfs/dbraw/zinc/72/53/98/807725398.db2.gz VBQBWPTZAUDVPD-MRVPVSSYSA-N -1 0 307.306 -0.497 20 0 DBADRM CN(Cc1cn(C)nn1)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001330594181 807737614 /nfs/dbraw/zinc/73/76/14/807737614.db2.gz HWQNGYZHBMJGSY-ZDUSSCGKSA-N -1 0 309.326 -0.903 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)C1(F)CCOCC1 ZINC001330611816 807739406 /nfs/dbraw/zinc/73/94/06/807739406.db2.gz IVCWVRXNLNDHET-UHFFFAOYSA-N -1 0 313.347 -0.386 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC(CO)CC2)C[C@H]1C1CC1 ZINC000926298192 807758541 /nfs/dbraw/zinc/75/85/41/807758541.db2.gz LPQBQXVADVYKHD-QWHCGFSZSA-N -1 0 324.377 -0.214 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001331081846 807768634 /nfs/dbraw/zinc/76/86/34/807768634.db2.gz XIMGVJDXSPMQPI-WISYIIOYSA-N -1 0 310.350 -0.007 20 0 DBADRM CCCc1cc(=O)n2nc(NC(=O)c3ncn(C)n3)[n-]c2n1 ZINC001331210353 807778733 /nfs/dbraw/zinc/77/87/33/807778733.db2.gz OASUODZPQZSFNR-UHFFFAOYSA-N -1 0 302.298 -0.249 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000927204846 807783192 /nfs/dbraw/zinc/78/31/92/807783192.db2.gz IJMAWPLCNPWUFY-UHFFFAOYSA-N -1 0 320.349 -0.168 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000927204269 807783326 /nfs/dbraw/zinc/78/33/26/807783326.db2.gz JUKILKGJBFCNST-UHFFFAOYSA-N -1 0 314.386 -0.046 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000927208377 807783811 /nfs/dbraw/zinc/78/38/11/807783811.db2.gz OMGYORZAIBBVNM-GFCCVEGCSA-N -1 0 306.322 -0.453 20 0 DBADRM COCCCOC1CCN(C(=O)NCC(=O)[N-]OC)CC1 ZINC000927211166 807784629 /nfs/dbraw/zinc/78/46/29/807784629.db2.gz KYVREDOSMDPFIV-UHFFFAOYSA-N -1 0 303.359 -0.109 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CC(=O)N(Cc2ccccc2)C1 ZINC000927213277 807784824 /nfs/dbraw/zinc/78/48/24/807784824.db2.gz SIYNNOCGJXXWNB-UHFFFAOYSA-N -1 0 306.322 -0.325 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000927212254 807784988 /nfs/dbraw/zinc/78/49/88/807784988.db2.gz RCQRXAZHLJGEJB-LLVKDONJSA-N -1 0 311.342 -0.720 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1OC ZINC000927214211 807785541 /nfs/dbraw/zinc/78/55/41/807785541.db2.gz HOLYAKPSXABVMB-IJLUTSLNSA-N -1 0 315.370 -0.111 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000927215870 807786061 /nfs/dbraw/zinc/78/60/61/807786061.db2.gz RBVQFXPVWZPRHP-WDEREUQCSA-N -1 0 300.359 -0.831 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)[N-]OCCN1CCCC1=O ZINC001331280724 807786128 /nfs/dbraw/zinc/78/61/28/807786128.db2.gz MNYYBXZLRPYKRR-VIFPVBQESA-N -1 0 313.383 -0.034 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)NCC(=O)[N-]OC)CCC1(F)F ZINC000927217274 807786756 /nfs/dbraw/zinc/78/67/56/807786756.db2.gz ZVCZVSKZTYZSGF-QMMMGPOBSA-N -1 0 323.296 -0.106 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000927219166 807787063 /nfs/dbraw/zinc/78/70/63/807787063.db2.gz ASQKGBBGTLUVMN-UWVGGRQHSA-N -1 0 317.342 -0.774 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCC2=C(CCC(=O)N2)C1 ZINC001331305717 807787135 /nfs/dbraw/zinc/78/71/35/807787135.db2.gz DCFUWFILFPNYPH-UHFFFAOYSA-N -1 0 323.349 -0.246 20 0 DBADRM CO[N-]C(=O)CNC(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000927218334 807787243 /nfs/dbraw/zinc/78/72/43/807787243.db2.gz XVOBOOYCVBUSES-UHFFFAOYSA-N -1 0 306.322 -0.278 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001331523955 807795589 /nfs/dbraw/zinc/79/55/89/807795589.db2.gz ZZENQHDSIODUJG-WISYIIOYSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001331523957 807795643 /nfs/dbraw/zinc/79/56/43/807795643.db2.gz ZZENQHDSIODUJG-WYUUTHIRSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC001331523954 807795653 /nfs/dbraw/zinc/79/56/53/807795653.db2.gz ZZENQHDSIODUJG-NNYUYHANSA-N -1 0 310.350 -0.007 20 0 DBADRM COC[C@@H](CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)C(C)C ZINC000927966081 807800511 /nfs/dbraw/zinc/80/05/11/807800511.db2.gz OCNJLDMWLMJNJI-WDEREUQCSA-N -1 0 300.355 -0.046 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCO[C@H](C(F)F)C1)C(=O)[O-] ZINC000927961553 807800815 /nfs/dbraw/zinc/80/08/15/807800815.db2.gz YRZGLEDWXSDAKP-SFYZADRCSA-N -1 0 308.281 -0.294 20 0 DBADRM O=C(CC1=CCCCC1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001331685569 807815479 /nfs/dbraw/zinc/81/54/79/807815479.db2.gz SETBYGFUGUDMTO-NSHDSACASA-N -1 0 309.370 -0.033 20 0 DBADRM COCCOCCN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001331729833 807821686 /nfs/dbraw/zinc/82/16/86/807821686.db2.gz IJGRIJBYZSWZDZ-CQSZACIVSA-N -1 0 302.371 -0.489 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)N[C@@H](COC)[C@H]1CCCO1 ZINC000929050026 807822501 /nfs/dbraw/zinc/82/25/01/807822501.db2.gz OGFJPAOUFBXLHN-WDEREUQCSA-N -1 0 304.343 -0.077 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)NCCO[C@H]1CCOC1 ZINC000929016705 807822740 /nfs/dbraw/zinc/82/27/40/807822740.db2.gz GYVATKFDVRXYLZ-QWRGUYRKSA-N -1 0 304.343 -0.077 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCOCN1 ZINC000928954796 807823163 /nfs/dbraw/zinc/82/31/63/807823163.db2.gz UQBSWYQMCIHLTJ-UHFFFAOYSA-N -1 0 321.305 -0.436 20 0 DBADRM CCc1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001038066775 815152463 /nfs/dbraw/zinc/15/24/63/815152463.db2.gz IQSZSGDRRQTZTC-VIFPVBQESA-N -1 0 305.342 -0.200 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)NCCCN1CCOCC1 ZINC001332120611 807874122 /nfs/dbraw/zinc/87/41/22/807874122.db2.gz DAILWJQOJOMLKI-LBPRGKRZSA-N -1 0 317.386 -0.160 20 0 DBADRM C[C@@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001332117514 807874322 /nfs/dbraw/zinc/87/43/22/807874322.db2.gz BLMPSKXSKXDRKE-IAQYHMDHSA-N -1 0 312.366 -0.069 20 0 DBADRM C/C(=C/C(=O)N1CCO[C@H](CC(=O)[O-])C1)CN1CCOCC1 ZINC001332164703 807879350 /nfs/dbraw/zinc/87/93/50/807879350.db2.gz PHINUDDFPXYRHN-LLBKUYECSA-N -1 0 312.366 -0.033 20 0 DBADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001332196936 807882845 /nfs/dbraw/zinc/88/28/45/807882845.db2.gz CUUZAUFKMURXDO-YBXAARCKSA-N -1 0 310.350 -0.293 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC2(CC3CC3)CC2)CCO1 ZINC001332197214 807882987 /nfs/dbraw/zinc/88/29/87/807882987.db2.gz HVSCZHPHFVZPND-LLVKDONJSA-N -1 0 310.350 -0.005 20 0 DBADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001332196934 807883214 /nfs/dbraw/zinc/88/32/14/807883214.db2.gz CUUZAUFKMURXDO-IIRVCBMXSA-N -1 0 310.350 -0.293 20 0 DBADRM CC(=O)NCCN(C(=O)CCCCC(N)=O)[C@@H](C)C(=O)[O-] ZINC001332323994 807900024 /nfs/dbraw/zinc/90/00/24/807900024.db2.gz HDFHKJRWALDJEW-VIFPVBQESA-N -1 0 301.343 -0.530 20 0 DBADRM NS(=O)(=O)CCCCCCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001332325213 807900134 /nfs/dbraw/zinc/90/01/34/807900134.db2.gz OCGGTMIZJYQNDN-SNVBAGLBSA-N -1 0 322.383 -0.463 20 0 DBADRM COCCCCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001332393319 807912124 /nfs/dbraw/zinc/91/21/24/807912124.db2.gz ZXSWIHNQEIRQKO-UHFFFAOYSA-N -1 0 316.354 -0.473 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-] ZINC001332414222 807914556 /nfs/dbraw/zinc/91/45/56/807914556.db2.gz UHMYEIFFSNTMQU-VIFPVBQESA-N -1 0 322.243 -0.269 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2Cc2nncn2C)c1[O-] ZINC001038170680 815160478 /nfs/dbraw/zinc/16/04/78/815160478.db2.gz LKUXJUCDOVWWQC-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000931678906 807934060 /nfs/dbraw/zinc/93/40/60/807934060.db2.gz HPZJTAKIMXADIE-MNOVXSKESA-N -1 0 310.358 -0.083 20 0 DBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)[N-]OCCSC ZINC000931943745 807949878 /nfs/dbraw/zinc/94/98/78/807949878.db2.gz HTYORYXUPKFVKJ-LLVKDONJSA-N -1 0 319.427 -0.376 20 0 DBADRM COc1ccc(CCNC(=O)C(=O)[N-]OC[C@H]2CCOC2)cn1 ZINC001332817680 807983321 /nfs/dbraw/zinc/98/33/21/807983321.db2.gz FBYZWPRLDHQKNT-LBPRGKRZSA-N -1 0 323.349 -0.167 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC1(c2ccccc2C)CC1 ZINC001332831302 807984964 /nfs/dbraw/zinc/98/49/64/807984964.db2.gz WZJTUTOTBNRNHB-UHFFFAOYSA-N -1 0 319.361 -0.063 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCc1cccc2c1OCCO2 ZINC000932891438 807986251 /nfs/dbraw/zinc/98/62/51/807986251.db2.gz QXYOWVOWFPRZNC-UHFFFAOYSA-N -1 0 324.333 -0.189 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](CC)OC[C@@H]1CC ZINC001332844260 807986610 /nfs/dbraw/zinc/98/66/10/807986610.db2.gz VNRFPZNIDCBZAB-QWRGUYRKSA-N -1 0 315.370 -0.414 20 0 DBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC001332850355 807987780 /nfs/dbraw/zinc/98/77/80/807987780.db2.gz NLYPAMFPKMECLL-JTQLQIEISA-N -1 0 315.395 -0.333 20 0 DBADRM O=C([N-]Cc1cn(CCN2C(=O)CCC2=O)nn1)C(F)(F)F ZINC001333114712 808016554 /nfs/dbraw/zinc/01/65/54/808016554.db2.gz ZUINUSYDMFDYQS-UHFFFAOYSA-N -1 0 319.243 -0.394 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC001333111601 808016691 /nfs/dbraw/zinc/01/66/91/808016691.db2.gz VYIKPMAYVFHJBQ-MNOVXSKESA-N -1 0 309.725 -0.399 20 0 DBADRM CCN1C[C@@H](CNC(=O)C(=O)NCCCCC(=O)[O-])CC1=O ZINC001333166035 808023049 /nfs/dbraw/zinc/02/30/49/808023049.db2.gz JRHWMFLPHGJLLV-SNVBAGLBSA-N -1 0 313.354 -0.658 20 0 DBADRM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NCCCO ZINC001333244080 808033909 /nfs/dbraw/zinc/03/39/09/808033909.db2.gz HHHRTEVFEGNWRF-UHFFFAOYSA-N -1 0 303.322 -0.011 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC2(CCCCO2)CC1 ZINC001333296623 808040673 /nfs/dbraw/zinc/04/06/73/808040673.db2.gz PWJCUGRUJVMIEU-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM O=C([N-]OCc1ccccc1)C(=O)NCC[C@H]1CNC(=O)C1 ZINC001333326591 808044690 /nfs/dbraw/zinc/04/46/90/808044690.db2.gz GNGAIOZSAIDADZ-GFCCVEGCSA-N -1 0 305.334 -0.123 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1C1CCOCC1 ZINC001333333829 808045024 /nfs/dbraw/zinc/04/50/24/808045024.db2.gz FYRQILFJMWNEAG-LLVKDONJSA-N -1 0 313.354 -0.802 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC001333334769 808045306 /nfs/dbraw/zinc/04/53/06/808045306.db2.gz JYVSTMQOBUBJFV-GHMZBOCLSA-N -1 0 313.354 -0.802 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC001333333448 808045382 /nfs/dbraw/zinc/04/53/82/808045382.db2.gz FLQZRJOBFBDHRW-RSQPEXBXSA-N -1 0 307.350 -0.549 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC001333334771 808045480 /nfs/dbraw/zinc/04/54/80/808045480.db2.gz JYVSTMQOBUBJFV-MNOVXSKESA-N -1 0 313.354 -0.802 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC001333333924 808045718 /nfs/dbraw/zinc/04/57/18/808045718.db2.gz HFCPKKPNRLHDNO-LLVKDONJSA-N -1 0 313.354 -0.660 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H]1[C@H]1CCCOC1 ZINC001333334773 808046012 /nfs/dbraw/zinc/04/60/12/808046012.db2.gz JYVSTMQOBUBJFV-QWRGUYRKSA-N -1 0 313.354 -0.802 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@]2(CC2(F)F)C1 ZINC001333336244 808046085 /nfs/dbraw/zinc/04/60/85/808046085.db2.gz SMQAVQZQNOPADY-LLVKDONJSA-N -1 0 305.281 -0.572 20 0 DBADRM C/C(=C\C(=O)N1CCO[C@@](C)(C(=O)[O-])C1)CN1CCOCC1 ZINC001333350515 808047386 /nfs/dbraw/zinc/04/73/86/808047386.db2.gz NKNOYBAJQRZVGM-SAAWKEMMSA-N -1 0 312.366 -0.033 20 0 DBADRM CC(C)CN1CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001333347289 808047452 /nfs/dbraw/zinc/04/74/52/808047452.db2.gz TWIVTGHHRDLYTF-HAQNSBGRSA-N -1 0 311.382 -0.234 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(CCO)[C@H](C)C2)cc1=O ZINC000935498757 808048506 /nfs/dbraw/zinc/04/85/06/808048506.db2.gz IUYMHPVUFJUZHP-CYBMUJFWSA-N -1 0 324.425 -0.100 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(F)cc1C ZINC001333497192 808069247 /nfs/dbraw/zinc/06/92/47/808069247.db2.gz GBOYIIMQSPTZOY-UHFFFAOYSA-N -1 0 311.313 -0.413 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)c1ncnn1C ZINC001333494361 808069404 /nfs/dbraw/zinc/06/94/04/808069404.db2.gz CTFRIXXCGFXUDC-VIFPVBQESA-N -1 0 323.353 -0.294 20 0 DBADRM Cc1nonc1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000938198787 808079089 /nfs/dbraw/zinc/07/90/89/808079089.db2.gz OULJWNIRLXXSNS-QMMMGPOBSA-N -1 0 320.309 -0.240 20 0 DBADRM Cn1ncc(C(=O)N2CC[C@H](NC(=O)c3cn[nH]n3)C2)c1Cl ZINC000938237959 808086816 /nfs/dbraw/zinc/08/68/16/808086816.db2.gz ATYYAFQMSGUGQI-ZETCQYMHSA-N -1 0 323.744 -0.164 20 0 DBADRM O=C(N[C@H]1CCN(C(=O)c2ccc(F)cn2)C1)c1cn[nH]n1 ZINC000938238269 808087567 /nfs/dbraw/zinc/08/75/67/808087567.db2.gz SOYAJXMYKIGWAS-VIFPVBQESA-N -1 0 304.285 -0.017 20 0 DBADRM COC1(OC)CCOC[C@@H]1NCc1cc(=O)n2[n-]ccc2n1 ZINC001333697110 808089286 /nfs/dbraw/zinc/08/92/86/808089286.db2.gz AWZNZQJMXZLBSP-NSHDSACASA-N -1 0 308.338 -0.110 20 0 DBADRM CC(C)=CC(=O)NCC1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001333754377 808093673 /nfs/dbraw/zinc/09/36/73/808093673.db2.gz STAMEWUEBSUDSL-UHFFFAOYSA-N -1 0 323.353 -0.334 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCSC(F)(F)F ZINC001333799746 808098769 /nfs/dbraw/zinc/09/87/69/808098769.db2.gz LDAUZTDHHRSLLU-UHFFFAOYSA-N -1 0 303.262 -0.851 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cnn(C)n3)C2)c1[O-] ZINC000938277524 808100977 /nfs/dbraw/zinc/10/09/77/808100977.db2.gz NCWFFBLIMAELAV-QMMMGPOBSA-N -1 0 319.325 -0.803 20 0 DBADRM CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001333847606 808103222 /nfs/dbraw/zinc/10/32/22/808103222.db2.gz RTPSWWRKXLEQSH-MXWKQRLJSA-N -1 0 311.382 -0.045 20 0 DBADRM CN(C(=O)NCCOCCOCC(=O)[O-])C1CCOCC1 ZINC001333938202 808116188 /nfs/dbraw/zinc/11/61/88/808116188.db2.gz IIDQIAWCSLEJLD-UHFFFAOYSA-N -1 0 304.343 -0.075 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001334038658 808127479 /nfs/dbraw/zinc/12/74/79/808127479.db2.gz DSQQGLHWTVAHFS-NXEZZACHSA-N -1 0 306.322 -0.721 20 0 DBADRM O=C(CO[C@H]1CCOC1)N1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC000946747858 808133205 /nfs/dbraw/zinc/13/32/05/808133205.db2.gz VQWNPKXGPHCPMZ-NSHDSACASA-N -1 0 323.353 -0.669 20 0 DBADRM CC[C@@]1(O)CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001334387989 808159318 /nfs/dbraw/zinc/15/93/18/808159318.db2.gz UTZQWSCVXOKHMJ-HWWQOWPSSA-N -1 0 324.377 -0.071 20 0 DBADRM CC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000946994569 808161434 /nfs/dbraw/zinc/16/14/34/808161434.db2.gz DQZIFCFOWAADKS-LDYMZIIASA-N -1 0 318.337 -0.946 20 0 DBADRM C[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000947015989 808164219 /nfs/dbraw/zinc/16/42/19/808164219.db2.gz JGQIXKIRVDUCQU-RFZPGFLSSA-N -1 0 317.252 -0.875 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CC2(C[C@@H]1C)CCOCC2 ZINC001334486099 808170290 /nfs/dbraw/zinc/17/02/90/808170290.db2.gz DKRVXCJDYVEPLO-JTQLQIEISA-N -1 0 310.358 -0.254 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC001334489579 808170417 /nfs/dbraw/zinc/17/04/17/808170417.db2.gz YLXFJDZYBHUUKU-ONGXEEELSA-N -1 0 310.358 -0.256 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)CC1(c2ccccc2)CC1 ZINC001334509907 808173905 /nfs/dbraw/zinc/17/39/05/808173905.db2.gz JOBILTCIFBULDN-UHFFFAOYSA-N -1 0 319.361 -0.030 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC001334508557 808173928 /nfs/dbraw/zinc/17/39/28/808173928.db2.gz DUVOMNRUCPTBHK-LBPRGKRZSA-N -1 0 321.333 -0.620 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC001334558434 808177430 /nfs/dbraw/zinc/17/74/30/808177430.db2.gz FRTOXROAXUVRTJ-OKILXGFUSA-N -1 0 322.369 -0.252 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC001334560599 808177868 /nfs/dbraw/zinc/17/78/68/808177868.db2.gz SIRZXUNIKPKJKT-DEKYYXRVSA-N -1 0 304.354 -0.001 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC001334606928 808183365 /nfs/dbraw/zinc/18/33/65/808183365.db2.gz WGXKLHQWGGSEQY-QWRGUYRKSA-N -1 0 313.354 -0.802 20 0 DBADRM O=C(CCCNC(=O)c1c[n-]n2c1nccc2=O)NC1CC1 ZINC001334657025 808189276 /nfs/dbraw/zinc/18/92/76/808189276.db2.gz QZAPVLPRAYSHKV-UHFFFAOYSA-N -1 0 303.322 -0.189 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cn[nH]c(=O)c1 ZINC001038376815 815183759 /nfs/dbraw/zinc/18/37/59/815183759.db2.gz FYNCEUFGBMIZSV-QMMMGPOBSA-N -1 0 305.298 -0.990 20 0 DBADRM CC(C)C(=O)NC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000947577504 808205252 /nfs/dbraw/zinc/20/52/52/808205252.db2.gz OTZIFTCOMMJTPG-UHFFFAOYSA-N -1 0 309.326 -0.340 20 0 DBADRM CC1(C(=O)NC2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)CC1 ZINC000947576894 808205295 /nfs/dbraw/zinc/20/52/95/808205295.db2.gz DBTOICXWUDIHCM-UHFFFAOYSA-N -1 0 321.337 -0.196 20 0 DBADRM C/C(=C\C(=O)N1CCOC[C@H]1CC(=O)[O-])CN1CCOCC1 ZINC001334980994 808219526 /nfs/dbraw/zinc/21/95/26/808219526.db2.gz MZRBRJIHIWNFCH-YQCJOKCJSA-N -1 0 312.366 -0.033 20 0 DBADRM C/C(=C\C(=O)N1CCOC[C@@H]1CC(=O)[O-])CN1CCOCC1 ZINC001334980992 808219704 /nfs/dbraw/zinc/21/97/04/808219704.db2.gz MZRBRJIHIWNFCH-RPHSKFLZSA-N -1 0 312.366 -0.033 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)nn1C ZINC001335112522 808238241 /nfs/dbraw/zinc/23/82/41/808238241.db2.gz KZQAWFOVZPWVBN-VXNVDRBHSA-N -1 0 309.326 -0.369 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)nn1C ZINC001335112114 808238405 /nfs/dbraw/zinc/23/84/05/808238405.db2.gz KZQAWFOVZPWVBN-APPZFPTMSA-N -1 0 309.326 -0.369 20 0 DBADRM CN(C)S(=O)(=O)[N-]C(=O)/C=C/c1ccc(S(C)(=O)=O)o1 ZINC001335173569 808247378 /nfs/dbraw/zinc/24/73/78/808247378.db2.gz STLPNMIUQZOETI-GQCTYLIASA-N -1 0 322.364 -0.381 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001335218133 808256979 /nfs/dbraw/zinc/25/69/79/808256979.db2.gz YDTMCWXJTVKHLD-VAGNRZNMSA-N -1 0 318.395 -0.561 20 0 DBADRM Cc1nonc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1 ZINC000948100162 808265278 /nfs/dbraw/zinc/26/52/78/808265278.db2.gz PXTPOKGBEZAKHL-VXNVDRBHSA-N -1 0 321.341 -0.015 20 0 DBADRM C/C=C(\C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000948242375 808271695 /nfs/dbraw/zinc/27/16/95/808271695.db2.gz PMTTWHWVHHDZFX-AOZRHXBJSA-N -1 0 321.337 -0.174 20 0 DBADRM CCN1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC001335378411 808283072 /nfs/dbraw/zinc/28/30/72/808283072.db2.gz FSMDDFUSXOMHIN-NEPJUHHUSA-N -1 0 311.382 -0.280 20 0 DBADRM CC(=O)NCCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001335380949 808283235 /nfs/dbraw/zinc/28/32/35/808283235.db2.gz VIEMBMROAHJEIX-KOLCDFICSA-N -1 0 313.354 -0.850 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2cn(C)nn2)CC[C@@H]1C(=O)[O-] ZINC001335382095 808284045 /nfs/dbraw/zinc/28/40/45/808284045.db2.gz ZQMRWDPIWSGLOK-ONGXEEELSA-N -1 0 323.353 -0.657 20 0 DBADRM COCCOCCN1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001335455803 808289454 /nfs/dbraw/zinc/28/94/54/808289454.db2.gz VROVPFIGWCFRAK-UHFFFAOYSA-N -1 0 310.354 -0.040 20 0 DBADRM CC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@@H]1NC(C)=O ZINC000948492824 808290669 /nfs/dbraw/zinc/29/06/69/808290669.db2.gz RYUHRESWUUKRPG-BDAKNGLRSA-N -1 0 309.326 -0.340 20 0 DBADRM CC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC[C@@H]1NC(C)=O ZINC000948495635 808291513 /nfs/dbraw/zinc/29/15/13/808291513.db2.gz RRUOQRBLZCMOAQ-ZJUUUORDSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1nc(=O)o[n-]1 ZINC001335621028 808303290 /nfs/dbraw/zinc/30/32/90/808303290.db2.gz NODRMPRNOIWOAK-HTQZYQBOSA-N -1 0 308.294 -0.846 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1cc(C)cc(C)c1 ZINC001335813084 808322922 /nfs/dbraw/zinc/32/29/22/808322922.db2.gz GVPSBMOZMVLOJU-UHFFFAOYSA-N -1 0 307.350 -0.244 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1ccns1)c1n[nH]c(=O)[n-]c1=O ZINC001038457063 815195666 /nfs/dbraw/zinc/19/56/66/815195666.db2.gz DWILSRMPWKCFKL-SSDOTTSWSA-N -1 0 322.350 -0.256 20 0 DBADRM Cc1nn(C)cc1CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948795092 808332971 /nfs/dbraw/zinc/33/29/71/808332971.db2.gz LXRSQVOHTQTRMU-UHFFFAOYSA-N -1 0 319.369 -0.561 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC001335999735 808335460 /nfs/dbraw/zinc/33/54/60/808335460.db2.gz BDISXDPKCUPQQV-KWCYVHTRSA-N -1 0 317.345 -0.375 20 0 DBADRM O=C(NC[C@@H]1CCN1Cc1nncs1)c1n[nH]c(=O)[n-]c1=O ZINC001038460668 815196446 /nfs/dbraw/zinc/19/64/46/815196446.db2.gz XVNOBOILBYCUMX-LURJTMIESA-N -1 0 323.338 -0.861 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N(C)Cc1cc(Cl)cn1C ZINC001336093973 808341244 /nfs/dbraw/zinc/34/12/44/808341244.db2.gz CSLHMDLLURIRMZ-UHFFFAOYSA-N -1 0 313.749 -0.021 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CCCO2)c1[O-] ZINC000948855029 808345798 /nfs/dbraw/zinc/34/57/98/808345798.db2.gz ONWBFQFZMYOTRP-NXEZZACHSA-N -1 0 308.338 -0.067 20 0 DBADRM O=C(NC[C@H]1CCN1Cc1cnsn1)c1n[nH]c(=O)[n-]c1=O ZINC001038466800 815197183 /nfs/dbraw/zinc/19/71/83/815197183.db2.gz WEQUNPPZYFJVIM-SSDOTTSWSA-N -1 0 323.338 -0.861 20 0 DBADRM Cn1ccc(CN2CC[C@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001038466037 815197353 /nfs/dbraw/zinc/19/73/53/815197353.db2.gz QDFGOMYCUNHVKX-VIFPVBQESA-N -1 0 319.325 -0.979 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2ccn[nH]2)c1[O-] ZINC000948896175 808353725 /nfs/dbraw/zinc/35/37/25/808353725.db2.gz CVNASNAIRMUPTQ-MRVPVSSYSA-N -1 0 304.310 -0.209 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)C1Cc2ccccc2C1 ZINC001336301481 808360615 /nfs/dbraw/zinc/36/06/15/808360615.db2.gz QANNMGVQOLHSLK-UHFFFAOYSA-N -1 0 305.334 -0.594 20 0 DBADRM CO[C@H]1CCC[C@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000948957329 808365753 /nfs/dbraw/zinc/36/57/53/808365753.db2.gz KABANKPQBADTAF-MNOVXSKESA-N -1 0 309.370 -0.030 20 0 DBADRM C[C@H]1C[C@H](C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC(=O)N1 ZINC000949029341 808378320 /nfs/dbraw/zinc/37/83/20/808378320.db2.gz FRSKGDMHHUYNLW-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM NC(=O)c1ccc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)o1 ZINC001038490584 815199997 /nfs/dbraw/zinc/19/99/97/815199997.db2.gz UNWZTJNNOQRBAT-SSDOTTSWSA-N -1 0 320.309 -0.794 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1nnc2ccccn21 ZINC001336533120 808386464 /nfs/dbraw/zinc/38/64/64/808386464.db2.gz BNRVTMQNNHBQTQ-LURJTMIESA-N -1 0 301.266 -0.184 20 0 DBADRM COc1cnc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)nc1 ZINC001038498696 815201670 /nfs/dbraw/zinc/20/16/70/815201670.db2.gz SJKOLYYRHVYDJU-MRVPVSSYSA-N -1 0 319.325 -0.687 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(Cc2cncs2)CC1 ZINC000949111012 808395644 /nfs/dbraw/zinc/39/56/44/808395644.db2.gz CGJFEJVZCJDGHM-UHFFFAOYSA-N -1 0 322.350 -0.303 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(CCC(F)(F)F)CC1 ZINC000949111230 808395710 /nfs/dbraw/zinc/39/57/10/808395710.db2.gz JQAQKCWCIVMARU-UHFFFAOYSA-N -1 0 321.259 -0.007 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]1CNC(=O)C1CC=CC1 ZINC000949188990 808416991 /nfs/dbraw/zinc/41/69/91/808416991.db2.gz YYZVWEUQLNPWCC-JTQLQIEISA-N -1 0 321.337 -0.627 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000949192830 808417355 /nfs/dbraw/zinc/41/73/55/808417355.db2.gz AUVNRZAGEGMTRR-UHFFFAOYSA-N -1 0 319.369 -0.332 20 0 DBADRM COc1nccc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000949235003 808424566 /nfs/dbraw/zinc/42/45/66/808424566.db2.gz IMZJLTPANGLPPX-UHFFFAOYSA-N -1 0 319.325 -0.733 20 0 DBADRM C/C=C(/C)C(=O)N(C)C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001337108309 808437097 /nfs/dbraw/zinc/43/70/97/808437097.db2.gz LGEQEVPLODOHKZ-TVSKSKRASA-N -1 0 309.326 -0.174 20 0 DBADRM CCOc1cc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)on1 ZINC000949326759 808439616 /nfs/dbraw/zinc/43/96/16/808439616.db2.gz MSXXCFFGRPUYAE-UHFFFAOYSA-N -1 0 322.325 -0.145 20 0 DBADRM O=C(Cc1ccc(=O)[nH]c1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000949336797 808440396 /nfs/dbraw/zinc/44/03/96/808440396.db2.gz WUQYRKQFALVCQP-UHFFFAOYSA-N -1 0 318.337 -0.502 20 0 DBADRM CC1CC(C(=O)NC[C@H]2CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000949340765 808440539 /nfs/dbraw/zinc/44/05/39/808440539.db2.gz AZCVYPAGRTUOTP-UDNWOFFPSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC3(CCC3)CO2)C1 ZINC001337298687 808446337 /nfs/dbraw/zinc/44/63/37/808446337.db2.gz NPVONTMFGMMJNQ-MNOVXSKESA-N -1 0 310.350 -0.005 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)Cc2cnoc2)c1[O-] ZINC000949400957 808454597 /nfs/dbraw/zinc/45/45/97/808454597.db2.gz QXCXBWSDYBSBJJ-SNVBAGLBSA-N -1 0 319.321 -0.015 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)C(=O)Nc1cccc2c1OCCO2 ZINC001337450131 808455646 /nfs/dbraw/zinc/45/56/46/808455646.db2.gz KLNGBIASEKCSBW-UHFFFAOYSA-N -1 0 319.277 -0.464 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@H](O)C(C)C)c1[O-] ZINC000949424557 808458841 /nfs/dbraw/zinc/45/88/41/808458841.db2.gz AIAFGCNSXGIULF-MWLCHTKSSA-N -1 0 310.354 -0.229 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2ncn(C)n2)c1[O-] ZINC000949427477 808459980 /nfs/dbraw/zinc/45/99/80/808459980.db2.gz YXCSLTCZHFSYNX-MRVPVSSYSA-N -1 0 319.325 -0.803 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2ncc[nH]2)c1[O-] ZINC000949427537 808460166 /nfs/dbraw/zinc/46/01/66/808460166.db2.gz ZGDFAEIYDURTBT-QMMMGPOBSA-N -1 0 304.310 -0.209 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)Cn2nccn2)c1[O-] ZINC000949435324 808460804 /nfs/dbraw/zinc/46/08/04/808460804.db2.gz PJXMXJYWBHCQJR-VIFPVBQESA-N -1 0 319.325 -0.954 20 0 DBADRM CC1(C)C[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000949456524 808464591 /nfs/dbraw/zinc/46/45/91/808464591.db2.gz MFNCZCZOSYQGLQ-DTWKUNHWSA-N -1 0 323.353 -0.548 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCC(CSC)CC1 ZINC001337580485 808470279 /nfs/dbraw/zinc/47/02/79/808470279.db2.gz XZMXHHSWZMCWQM-UHFFFAOYSA-N -1 0 300.388 -0.070 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)C2(C)CC=CC2)c1[O-] ZINC001337609198 808473561 /nfs/dbraw/zinc/47/35/61/808473561.db2.gz GUDZYKAYOWLFKG-JTQLQIEISA-N -1 0 322.365 -0.013 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CC[C@]2(CC2(F)F)C1 ZINC001337643672 808481763 /nfs/dbraw/zinc/48/17/63/808481763.db2.gz AVQXLLJFEZHMGM-JTQLQIEISA-N -1 0 302.285 -0.024 20 0 DBADRM O=C(N[C@@H]1CCCN(C(=O)C(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC000949597576 808491839 /nfs/dbraw/zinc/49/18/39/808491839.db2.gz UYCGRLKGJOXEGE-RXMQYKEDSA-N -1 0 317.252 -0.731 20 0 DBADRM COC[C@@H](C)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000949610158 808494663 /nfs/dbraw/zinc/49/46/63/808494663.db2.gz XHMSDFKOHLSFJA-SNVBAGLBSA-N -1 0 310.354 -0.721 20 0 DBADRM O=C(N[C@@H]1CCCN(C(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000949633528 808501120 /nfs/dbraw/zinc/50/11/20/808501120.db2.gz JINKIYLTRLDGAU-MRVPVSSYSA-N -1 0 307.310 -0.586 20 0 DBADRM CCN(C(=O)c1cncnc1C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949723289 808526446 /nfs/dbraw/zinc/52/64/46/808526446.db2.gz MIRUOGMHAVHKTP-UHFFFAOYSA-N -1 0 317.353 -0.045 20 0 DBADRM COCCO[C@@H]1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2C)C1 ZINC001338237391 808527135 /nfs/dbraw/zinc/52/71/35/808527135.db2.gz NUMOVXHFQCGQCO-SECBINFHSA-N -1 0 308.342 -0.719 20 0 DBADRM COc1nn(C)cc1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038597864 815214008 /nfs/dbraw/zinc/21/40/08/815214008.db2.gz RATZPWZYEJSDAY-QMMMGPOBSA-N -1 0 321.341 -0.743 20 0 DBADRM CCN(C(=O)[C@@H]1C[C@@H]1C(=O)OC)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949776644 808539482 /nfs/dbraw/zinc/53/94/82/808539482.db2.gz SNGVXZPTACYXEA-ZJUUUORDSA-N -1 0 323.353 -0.648 20 0 DBADRM C[C@H](C1CC1)n1cc(NC(=O)C(=O)NCc2nnn[n-]2)cn1 ZINC001338444938 808542656 /nfs/dbraw/zinc/54/26/56/808542656.db2.gz NMWQHQKYTVTHGB-SSDOTTSWSA-N -1 0 304.314 -0.378 20 0 DBADRM C[C@@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cncnc1 ZINC000949837583 808553061 /nfs/dbraw/zinc/55/30/61/808553061.db2.gz QFNXWAHRKBBNSU-SNVBAGLBSA-N -1 0 317.353 -0.252 20 0 DBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN([C@H](C)C(=O)NC)C1 ZINC000949899870 808561908 /nfs/dbraw/zinc/56/19/08/808561908.db2.gz FRKZHQFNDVCYPM-SECBINFHSA-N -1 0 309.370 -0.295 20 0 DBADRM CCN(C(=O)c1cc(C)ncn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949905911 808561916 /nfs/dbraw/zinc/56/19/16/808561916.db2.gz NYBSOVWBJUSDIK-UHFFFAOYSA-N -1 0 317.353 -0.045 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCOC[C@H]1CCOC1 ZINC001338782004 808566912 /nfs/dbraw/zinc/56/69/12/808566912.db2.gz OUCCFBFLCXJMLA-JTQLQIEISA-N -1 0 321.337 -0.760 20 0 DBADRM Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2cnnn2C)nn1 ZINC001338890895 808570602 /nfs/dbraw/zinc/57/06/02/808570602.db2.gz FJEJHOUUDFVNMC-UHFFFAOYSA-N -1 0 320.338 -0.100 20 0 DBADRM CCN(C(=O)c1cnnc(C)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000949970103 808571775 /nfs/dbraw/zinc/57/17/75/808571775.db2.gz FQWOBZBHMPBGQY-UHFFFAOYSA-N -1 0 317.353 -0.045 20 0 DBADRM Cn1cc(-c2nn(C)cc2C(=O)NCCc2nc(=O)o[n-]2)cn1 ZINC001339498252 808592338 /nfs/dbraw/zinc/59/23/38/808592338.db2.gz DAQWNYBIHJEANG-UHFFFAOYSA-N -1 0 317.309 -0.531 20 0 DBADRM CCO[C@@H]1CCC[C@H]1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001339722876 808600265 /nfs/dbraw/zinc/60/02/65/808600265.db2.gz GBVBUBGDDHENLP-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CC1(C)CC[C@@H](CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)O1 ZINC001339724300 808600481 /nfs/dbraw/zinc/60/04/81/808600481.db2.gz JRMHKPWGQQRKPO-JTQLQIEISA-N -1 0 313.354 -0.118 20 0 DBADRM Cn1cc(C(=O)C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC001340107024 808621150 /nfs/dbraw/zinc/62/11/50/808621150.db2.gz WYMSNFHEHKCJKP-QMMMGPOBSA-N -1 0 304.310 -0.167 20 0 DBADRM CC1(C)NC(=O)N(CCCNC(=O)NCCCC(=O)[O-])C1=O ZINC001340158129 808624762 /nfs/dbraw/zinc/62/47/62/808624762.db2.gz VEQVQIQSOAFXNF-UHFFFAOYSA-N -1 0 314.342 -0.129 20 0 DBADRM CC[C@@H](CN1CCOCC1)NC(=O)C(=O)N(C)CCC(=O)[O-] ZINC001340162576 808625365 /nfs/dbraw/zinc/62/53/65/808625365.db2.gz LCUZPKNRPXIPEC-NSHDSACASA-N -1 0 315.370 -0.854 20 0 DBADRM C/C=C(\C)C(=O)N1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000950345021 808634413 /nfs/dbraw/zinc/63/44/13/808634413.db2.gz YGTHPYZOEWCWNO-QZGLAHODSA-N -1 0 321.337 -0.030 20 0 DBADRM C[C@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCCO1 ZINC000950366200 808636456 /nfs/dbraw/zinc/63/64/56/808636456.db2.gz WUPAULRLRYZKQS-QWRGUYRKSA-N -1 0 309.370 -0.030 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCCCC(=O)[O-])CC[N@H+](C)C1 ZINC001340552878 808643218 /nfs/dbraw/zinc/64/32/18/808643218.db2.gz GAXZHZJNSRJUAV-LLVKDONJSA-N -1 0 315.370 -0.013 20 0 DBADRM Cc1cc(=O)[nH]cc1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000950428037 808644664 /nfs/dbraw/zinc/64/46/64/808644664.db2.gz YHGXGZHZHMWTPP-UHFFFAOYSA-N -1 0 318.337 -0.123 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCCC(=O)N1CCC[C@H](C)C1 ZINC001340603743 808647172 /nfs/dbraw/zinc/64/71/72/808647172.db2.gz HSAHQIMHHNAQBS-JTQLQIEISA-N -1 0 300.359 -0.388 20 0 DBADRM COC(=O)CCCCNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001341075522 808668813 /nfs/dbraw/zinc/66/88/13/808668813.db2.gz WMDVLGNETKHUFJ-JTQLQIEISA-N -1 0 302.327 -0.470 20 0 DBADRM CCN(C(=O)c1cn[nH]c(=O)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950568503 808675270 /nfs/dbraw/zinc/67/52/70/808675270.db2.gz FLODDLRCHISTKI-UHFFFAOYSA-N -1 0 319.325 -0.648 20 0 DBADRM C[C@]12COC[C@H]1CN(C(=O)NCCOCCOCC(=O)[O-])C2 ZINC001341329054 808680031 /nfs/dbraw/zinc/68/00/31/808680031.db2.gz PDIBHELLYDYCFE-RISCZKNCSA-N -1 0 316.354 -0.218 20 0 DBADRM Cc1cccc2c1C[C@@H](NC(=O)[C@]1(C(=O)[O-])C[NH2+]CCO1)CO2 ZINC001341452441 808685889 /nfs/dbraw/zinc/68/58/89/808685889.db2.gz UCDRMRMIMMHIGV-BZNIZROVSA-N -1 0 320.345 -0.142 20 0 DBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN([C@H](C)COC)C1 ZINC000950766545 808710277 /nfs/dbraw/zinc/71/02/77/808710277.db2.gz LXIHEZGGHLDDDP-MRVPVSSYSA-N -1 0 311.342 -0.536 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC001342029367 808712773 /nfs/dbraw/zinc/71/27/73/808712773.db2.gz GZKCHQOSSLBMCE-LKFCYVNXSA-N -1 0 315.370 -0.558 20 0 DBADRM Cn1nc(C2CC2)cc1CNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001342087476 808715209 /nfs/dbraw/zinc/71/52/09/808715209.db2.gz SQBBUMQCXFTYIT-JTQLQIEISA-N -1 0 322.365 -0.002 20 0 DBADRM Cc1c(C(=O)NCc2nc(=O)o[n-]2)nnn1Cc1ccncc1 ZINC001342432221 808730035 /nfs/dbraw/zinc/73/00/35/808730035.db2.gz YNTHHFJTLWIVNK-UHFFFAOYSA-N -1 0 315.293 -0.364 20 0 DBADRM NC(=O)c1coc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)c1 ZINC001038689812 815234968 /nfs/dbraw/zinc/23/49/68/815234968.db2.gz WAAVDDMPUSJXGK-MRVPVSSYSA-N -1 0 320.309 -0.794 20 0 DBADRM CCN(C(=O)[C@@H]1CCN(C)C1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000951190375 808778846 /nfs/dbraw/zinc/77/88/46/808778846.db2.gz KVEZNTKFPDYMRU-SNVBAGLBSA-N -1 0 322.369 -0.979 20 0 DBADRM O=C(CC1CC1)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951296251 808794925 /nfs/dbraw/zinc/79/49/25/808794925.db2.gz RIUZKEPPOIAOOU-QMMMGPOBSA-N -1 0 307.310 -0.586 20 0 DBADRM CC1(CC(=O)N2CC[C@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000951300866 808795533 /nfs/dbraw/zinc/79/55/33/808795533.db2.gz ZQTOQIHWYPAXHG-QMMMGPOBSA-N -1 0 321.337 -0.196 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000951314925 808799554 /nfs/dbraw/zinc/79/95/54/808799554.db2.gz HXDRNFWXIIUDIS-VIFPVBQESA-N -1 0 309.326 -0.658 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000951314924 808799653 /nfs/dbraw/zinc/79/96/53/808799653.db2.gz HXDRNFWXIIUDIS-SECBINFHSA-N -1 0 309.326 -0.658 20 0 DBADRM CCC(=O)N[C@@H]1CCCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000951315428 808799839 /nfs/dbraw/zinc/79/98/39/808799839.db2.gz UDSWWWSGMSZLEE-SECBINFHSA-N -1 0 323.353 -0.267 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951450426 808819439 /nfs/dbraw/zinc/81/94/39/808819439.db2.gz AFLYRLAHGPLNSJ-KXUCPTDWSA-N -1 0 320.349 -0.527 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951450427 808819767 /nfs/dbraw/zinc/81/97/67/808819767.db2.gz AFLYRLAHGPLNSJ-OPRDCNLKSA-N -1 0 320.349 -0.527 20 0 DBADRM CC[C@@H](C)C(=O)N1CC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951450875 808820649 /nfs/dbraw/zinc/82/06/49/808820649.db2.gz KSOBBOVIUUPJCG-ZJUUUORDSA-N -1 0 322.365 -0.137 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](NC(=O)C2CC2)C1 ZINC000951513362 808835040 /nfs/dbraw/zinc/83/50/40/808835040.db2.gz RPMBMYVLEALYGC-SECBINFHSA-N -1 0 309.326 -0.794 20 0 DBADRM CC(C)C(=O)N[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000951510262 808835112 /nfs/dbraw/zinc/83/51/12/808835112.db2.gz HVBBMIUCKLFNLK-VIFPVBQESA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(CC1CC1)N[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000951509996 808835201 /nfs/dbraw/zinc/83/52/01/808835201.db2.gz BFVXZXKMIZSQNF-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000951601433 808858755 /nfs/dbraw/zinc/85/87/55/808858755.db2.gz ACRVVSDANJVITB-YIZRAAEISA-N -1 0 309.326 -0.938 20 0 DBADRM CC(=O)N[C@@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000951626846 808866224 /nfs/dbraw/zinc/86/62/24/808866224.db2.gz KIMLSLKAQMNTRF-SNVBAGLBSA-N -1 0 318.337 -0.802 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2n[nH]cc2F)c1[O-] ZINC000951976833 808944599 /nfs/dbraw/zinc/94/45/99/808944599.db2.gz VLHYWDHPXJOCAJ-SSDOTTSWSA-N -1 0 322.300 -0.070 20 0 DBADRM Cc1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)nc(C)n1 ZINC001038809836 815250426 /nfs/dbraw/zinc/25/04/26/815250426.db2.gz XKQDSYZMORXQHV-SNVBAGLBSA-N -1 0 317.353 -0.079 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000952202997 808972473 /nfs/dbraw/zinc/97/24/73/808972473.db2.gz ZZUFHEYZDFRRHH-IWSPIJDZSA-N -1 0 321.337 -0.340 20 0 DBADRM Cc1ncc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)c(C)n1 ZINC001038822221 815252962 /nfs/dbraw/zinc/25/29/62/815252962.db2.gz GYOHDFYDEKFANI-JTQLQIEISA-N -1 0 317.353 -0.079 20 0 DBADRM CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000952627601 808999322 /nfs/dbraw/zinc/99/93/22/808999322.db2.gz YNQLAZZNTOMBDL-AOOOYVTPSA-N -1 0 309.326 -0.699 20 0 DBADRM CC(=O)N1CC[C@]2(C1)CCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC000952817731 809005687 /nfs/dbraw/zinc/00/56/87/809005687.db2.gz VRHSLHPWGQZQPI-AWEZNQCLSA-N -1 0 323.353 -0.450 20 0 DBADRM CC(=O)N1CC[C@@]2(C1)CCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC000952817732 809005724 /nfs/dbraw/zinc/00/57/24/809005724.db2.gz VRHSLHPWGQZQPI-CQSZACIVSA-N -1 0 323.353 -0.450 20 0 DBADRM CC(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000953392850 809038655 /nfs/dbraw/zinc/03/86/55/809038655.db2.gz XLOTYRXTBJXDKI-UWVGGRQHSA-N -1 0 309.326 -0.841 20 0 DBADRM CC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000953496708 809051626 /nfs/dbraw/zinc/05/16/26/809051626.db2.gz YSJNXAJOPZCGPZ-CBAPKCEASA-N -1 0 309.326 -0.198 20 0 DBADRM CN(C(=O)C(C)(F)F)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000953521377 809053760 /nfs/dbraw/zinc/05/37/60/809053760.db2.gz YJLPTFFYYUCLLF-UHFFFAOYSA-N -1 0 319.268 -0.986 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000953625373 809059831 /nfs/dbraw/zinc/05/98/31/809059831.db2.gz XKUREZZZBALTRE-HTRCEHHLSA-N -1 0 307.310 -0.778 20 0 DBADRM CC(=O)N(C)C1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC000953670638 809068289 /nfs/dbraw/zinc/06/82/89/809068289.db2.gz WLZHWPUKFLWTDW-UHFFFAOYSA-N -1 0 323.353 -0.315 20 0 DBADRM COCc1nc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)co1 ZINC001038866719 815260650 /nfs/dbraw/zinc/26/06/50/815260650.db2.gz CYTGXDNZNAWYGE-MRVPVSSYSA-N -1 0 322.325 -0.351 20 0 DBADRM CN(C(=O)C=C1CCC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954023340 809145343 /nfs/dbraw/zinc/14/53/43/809145343.db2.gz WTINGOFDINJHFW-UHFFFAOYSA-N -1 0 321.337 -0.531 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)C3=COCCO3)C2)c1[O-] ZINC000954068850 809154332 /nfs/dbraw/zinc/15/43/32/809154332.db2.gz UCUXPWCGZOPNRG-UHFFFAOYSA-N -1 0 322.321 -0.405 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3cccnn3)C2)c1[O-] ZINC000954070360 809154471 /nfs/dbraw/zinc/15/44/71/809154471.db2.gz RXSSZKXWAQCHBD-UHFFFAOYSA-N -1 0 316.321 -0.190 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3ccn(C)n3)C2)c1[O-] ZINC000954071064 809155416 /nfs/dbraw/zinc/15/54/16/809155416.db2.gz DTYCWERHXFUSQR-UHFFFAOYSA-N -1 0 318.337 -0.246 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)Cc3cnoc3)C2)c1[O-] ZINC000954071692 809155909 /nfs/dbraw/zinc/15/59/09/809155909.db2.gz UWCFDONJGAIMSG-UHFFFAOYSA-N -1 0 319.321 -0.063 20 0 DBADRM C[C@H](C(N)=O)N1CC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001038924283 815267082 /nfs/dbraw/zinc/26/70/82/815267082.db2.gz ZICNNMBLIQTZNA-SFYZADRCSA-N -1 0 319.321 -0.394 20 0 DBADRM Cc1nn(C)c(F)c1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038964552 815273397 /nfs/dbraw/zinc/27/33/97/815273397.db2.gz JDZJEBHECPHQTQ-QMMMGPOBSA-N -1 0 323.332 -0.304 20 0 DBADRM CCc1nc[nH]c1C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001038978188 815275577 /nfs/dbraw/zinc/27/55/77/815275577.db2.gz CBZBHMBTKYJFSW-MRVPVSSYSA-N -1 0 305.342 -0.200 20 0 DBADRM C/C=C(\C)C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954877332 809304963 /nfs/dbraw/zinc/30/49/63/809304963.db2.gz SVCOLKROKLQGAJ-QPJJXVBHSA-N -1 0 307.310 -0.468 20 0 DBADRM C/C=C(/C)C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954877331 809305117 /nfs/dbraw/zinc/30/51/17/809305117.db2.gz SVCOLKROKLQGAJ-DAXSKMNVSA-N -1 0 307.310 -0.468 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)CC2CC2)C1 ZINC000954877267 809305293 /nfs/dbraw/zinc/30/52/93/809305293.db2.gz QMWAGMRQFAFWGX-UHFFFAOYSA-N -1 0 307.310 -0.634 20 0 DBADRM C[C@H]1C[C@H]1CC(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954934089 809311807 /nfs/dbraw/zinc/31/18/07/809311807.db2.gz RPSZYANYXAMIBK-IUCAKERBSA-N -1 0 323.353 -0.595 20 0 DBADRM CC[C@H](C)C(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954934179 809311849 /nfs/dbraw/zinc/31/18/49/809311849.db2.gz VMUABRSGSCCYTN-QMMMGPOBSA-N -1 0 311.342 -0.595 20 0 DBADRM CCCC(=O)N1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000954951254 809316897 /nfs/dbraw/zinc/31/68/97/809316897.db2.gz NUZLPAVIFIMVMF-UHFFFAOYSA-N -1 0 308.338 -0.431 20 0 DBADRM CC[C@@H](C)C(=O)N1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000954951114 809316904 /nfs/dbraw/zinc/31/69/04/809316904.db2.gz KSMQHIPTGRFLTI-SECBINFHSA-N -1 0 322.365 -0.185 20 0 DBADRM CN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(C(=O)C2(C)CC2)C1 ZINC000954951005 809317354 /nfs/dbraw/zinc/31/73/54/809317354.db2.gz IVEFVMYUOXWXMJ-UHFFFAOYSA-N -1 0 320.349 -0.431 20 0 DBADRM CN(C(=O)C1(C)CCC1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954970660 809327421 /nfs/dbraw/zinc/32/74/21/809327421.db2.gz MGJBHFXIPZQWQK-UHFFFAOYSA-N -1 0 321.337 -0.244 20 0 DBADRM CCC(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000955449923 809418697 /nfs/dbraw/zinc/41/86/97/809418697.db2.gz UMCQMUWOEXVCCR-HTQZYQBOSA-N -1 0 309.326 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)[C@@H](C)C2)c1[O-] ZINC000955592036 809426574 /nfs/dbraw/zinc/42/65/74/809426574.db2.gz HGVLSSZKVOZIGR-IONNQARKSA-N -1 0 323.353 -0.592 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)CCC1=O ZINC001039060585 815288915 /nfs/dbraw/zinc/28/89/15/815288915.db2.gz UDYKTPXPIUBWRN-VHSXEESVSA-N -1 0 322.369 -0.931 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC000955736079 809440412 /nfs/dbraw/zinc/44/04/12/809440412.db2.gz SHBRVSJQJKDUJT-WCBMZHEXSA-N -1 0 323.353 -0.269 20 0 DBADRM CCC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](C)C1 ZINC000955762065 809441982 /nfs/dbraw/zinc/44/19/82/809441982.db2.gz PZMMGJFJZCCHEJ-BDAKNGLRSA-N -1 0 311.342 -0.405 20 0 DBADRM CCC(=O)N1CCC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000955833668 809454707 /nfs/dbraw/zinc/45/47/07/809454707.db2.gz PKLBVNCPHRQUIU-VIFPVBQESA-N -1 0 308.338 -0.383 20 0 DBADRM CC1(C(=O)N2CCC[C@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000956046423 809481845 /nfs/dbraw/zinc/48/18/45/809481845.db2.gz QCZSYHZNPZMMJA-QMMMGPOBSA-N -1 0 321.337 -0.196 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(C)CCN(C(=O)C(N)=O)CC2)c1[O-] ZINC000956341395 809509673 /nfs/dbraw/zinc/50/96/73/809509673.db2.gz RRUDVQGGSZBTMN-UHFFFAOYSA-N -1 0 309.326 -0.980 20 0 DBADRM CC(=O)N1CCN([C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C2)CC1 ZINC000956567995 809521217 /nfs/dbraw/zinc/52/12/17/809521217.db2.gz XAAZOULLILYMLQ-LBPRGKRZSA-N -1 0 321.381 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN(C(=O)c3nc[nH]n3)C2)c1[O-] ZINC000956828924 809554689 /nfs/dbraw/zinc/55/46/89/809554689.db2.gz QSWJYLBPBJELSA-CYBMUJFWSA-N -1 0 319.325 -0.424 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(C(=O)CC(N)=O)C2)c1[O-] ZINC000956828375 809555032 /nfs/dbraw/zinc/55/50/32/809555032.db2.gz JYLVQRMWKFOWIY-ZDUSSCGKSA-N -1 0 309.326 -0.980 20 0 DBADRM CC(=O)N1CC[C@@](C)(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000956930615 809568930 /nfs/dbraw/zinc/56/89/30/809568930.db2.gz NZQHQLFDHCCEIH-CQSZACIVSA-N -1 0 303.322 -0.237 20 0 DBADRM CCN(C(=O)c1ncccn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000956992996 809576099 /nfs/dbraw/zinc/57/60/99/809576099.db2.gz NIXRCZHQEIBRQO-UHFFFAOYSA-N -1 0 303.326 -0.353 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)C[C@H]1C(=O)[O-] ZINC000957134295 809590535 /nfs/dbraw/zinc/59/05/35/809590535.db2.gz WWFWUDAUGBISLA-OSQNNJELSA-N -1 0 310.350 -0.461 20 0 DBADRM CNC(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-] ZINC001039357809 815302321 /nfs/dbraw/zinc/30/23/21/815302321.db2.gz OJGWMVLKZQKESY-MNOVXSKESA-N -1 0 321.381 -0.151 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000957275007 809615310 /nfs/dbraw/zinc/61/53/10/809615310.db2.gz YUUYWVURSGDXFH-RFXMVYNHSA-N -1 0 323.353 -0.548 20 0 DBADRM CCn1cc(CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC000957289257 809616785 /nfs/dbraw/zinc/61/67/85/809616785.db2.gz WQGZSIVJLTUZAY-UHFFFAOYSA-N -1 0 319.369 -0.386 20 0 DBADRM CC(C)(C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnc[nH]1 ZINC000957334900 809628907 /nfs/dbraw/zinc/62/89/07/809628907.db2.gz DCMYTPMQEXWLGL-UHFFFAOYSA-N -1 0 319.369 -0.145 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(C/C=C/Cl)CC1 ZINC000957473687 809647652 /nfs/dbraw/zinc/64/76/52/809647652.db2.gz FOLXJEWUUYHLOS-OWOJBTEDSA-N -1 0 301.734 -0.414 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(CCC(F)(F)F)CC1 ZINC000957474134 809648058 /nfs/dbraw/zinc/64/80/58/809648058.db2.gz MXTZEYXCBJRAMQ-UHFFFAOYSA-N -1 0 323.275 -0.214 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957630972 809661874 /nfs/dbraw/zinc/66/18/74/809661874.db2.gz KBHWLQIWTGYWAB-FNCVBFRFSA-N -1 0 321.337 -0.485 20 0 DBADRM Cc1cnn(CCC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1 ZINC000957771638 809671170 /nfs/dbraw/zinc/67/11/70/809671170.db2.gz FMLQQRXLVHDUNM-UHFFFAOYSA-N -1 0 319.369 -0.250 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccccn1 ZINC000957803974 809678257 /nfs/dbraw/zinc/67/82/57/809678257.db2.gz OJWBZLNGFUGRFE-KOLCDFICSA-N -1 0 318.337 -0.872 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccccc1 ZINC000957826081 809684574 /nfs/dbraw/zinc/68/45/74/809684574.db2.gz NJLZPQPBOKKIFQ-RYUDHWBXSA-N -1 0 317.349 -0.267 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccco1 ZINC000957830515 809685565 /nfs/dbraw/zinc/68/55/65/809685565.db2.gz MJUCPTGIBGPXSE-IUCAKERBSA-N -1 0 307.310 -0.674 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccc[nH]1 ZINC000957869948 809698091 /nfs/dbraw/zinc/69/80/91/809698091.db2.gz YECIRSOUGYTKFV-SCZZXKLOSA-N -1 0 306.326 -0.939 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cscn1 ZINC000957915770 809715953 /nfs/dbraw/zinc/71/59/53/809715953.db2.gz XXWGSTDENKAPLK-CBAPKCEASA-N -1 0 324.366 -0.811 20 0 DBADRM Cc1[nH]ccc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000957947690 809726304 /nfs/dbraw/zinc/72/63/04/809726304.db2.gz MRHDIIXMRNUFFY-MWLCHTKSSA-N -1 0 320.353 -0.630 20 0 DBADRM O=C([C@@H]1CC12CCOCC2)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957957739 809728113 /nfs/dbraw/zinc/72/81/13/809728113.db2.gz UCNKYEQSBMGGCY-NSHDSACASA-N -1 0 321.381 -0.029 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(Cc3cnon3)C[C@H]2O)c1[O-] ZINC000957985568 809735671 /nfs/dbraw/zinc/73/56/71/809735671.db2.gz IPMQQCDQEGTLRU-WCBMZHEXSA-N -1 0 322.325 -0.971 20 0 DBADRM Cc1nc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)co1 ZINC000958005747 809741435 /nfs/dbraw/zinc/74/14/35/809741435.db2.gz ODCAZGBIPGIOEH-WPRPVWTQSA-N -1 0 322.325 -0.971 20 0 DBADRM Cc1nc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)co1 ZINC000958005744 809741812 /nfs/dbraw/zinc/74/18/12/809741812.db2.gz ODCAZGBIPGIOEH-SCZZXKLOSA-N -1 0 322.325 -0.971 20 0 DBADRM CC1(C)CC(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)C1 ZINC000958048169 809751795 /nfs/dbraw/zinc/75/17/95/809751795.db2.gz ZCOPSPDAWCNHMB-WDEREUQCSA-N -1 0 323.397 -0.145 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C3CCC3)C2)c1[O-] ZINC000958388472 809889488 /nfs/dbraw/zinc/88/94/88/809889488.db2.gz IUHRUWIRMLMUOX-QWRGUYRKSA-N -1 0 322.365 -0.132 20 0 DBADRM O=C(Cc1cc[nH]n1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000958457060 809916107 /nfs/dbraw/zinc/91/61/07/809916107.db2.gz RXTKUEMSADLJFC-GDGBQDQQSA-N -1 0 303.326 -0.978 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cccc(=O)[nH]1 ZINC000958487686 809930940 /nfs/dbraw/zinc/93/09/40/809930940.db2.gz WCPOLPVHCMJJET-JDICNCQASA-N -1 0 316.321 -0.529 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ccc(F)cn1 ZINC000958634427 809986128 /nfs/dbraw/zinc/98/61/28/809986128.db2.gz XDAZJWNYUAKTRB-GDGBQDQQSA-N -1 0 318.312 -0.095 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ncccc1O ZINC000958641766 809989874 /nfs/dbraw/zinc/98/98/74/809989874.db2.gz BLSSHPWFUQKMNS-VROVMSAKSA-N -1 0 316.321 -0.529 20 0 DBADRM CCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000958982573 810075514 /nfs/dbraw/zinc/07/55/14/810075514.db2.gz BWBSOLBKLPCDFS-YUMQZZPRSA-N -1 0 309.326 -0.340 20 0 DBADRM CCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000958982572 810075552 /nfs/dbraw/zinc/07/55/52/810075552.db2.gz BWBSOLBKLPCDFS-SFYZADRCSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000959197097 810084946 /nfs/dbraw/zinc/08/49/46/810084946.db2.gz ARYYAHYVFAGJJK-WPRPVWTQSA-N -1 0 323.353 -0.412 20 0 DBADRM CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000959221534 810086050 /nfs/dbraw/zinc/08/60/50/810086050.db2.gz IHJHYXIXXOXORG-WPRPVWTQSA-N -1 0 308.338 -0.527 20 0 DBADRM CC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000959302156 810093564 /nfs/dbraw/zinc/09/35/64/810093564.db2.gz SWYATKQYLFJSAH-ONGXEEELSA-N -1 0 317.349 -0.133 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C)c1[O-] ZINC000959408526 810099348 /nfs/dbraw/zinc/09/93/48/810099348.db2.gz FOXSEUGXOWAGSO-APPZFPTMSA-N -1 0 323.353 -0.877 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC000959516980 810106888 /nfs/dbraw/zinc/10/68/88/810106888.db2.gz WTCIOQUCIGHFCJ-WCBMZHEXSA-N -1 0 323.353 -0.554 20 0 DBADRM CC(=O)NC[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC000959538744 810108769 /nfs/dbraw/zinc/10/87/69/810108769.db2.gz RNCSJPBWLDURIM-PSASIEDQSA-N -1 0 308.338 -0.670 20 0 DBADRM Cn1ccc(CC(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)n1 ZINC000959867044 810132751 /nfs/dbraw/zinc/13/27/51/810132751.db2.gz QDNWPMALJYDSSX-IWIIMEHWSA-N -1 0 317.353 -0.967 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)c1cnn(C)c1 ZINC000960415904 810174566 /nfs/dbraw/zinc/17/45/66/810174566.db2.gz HRUXQCWQRUJRPT-NSHDSACASA-N -1 0 319.369 -0.020 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000960420621 810175355 /nfs/dbraw/zinc/17/53/55/810175355.db2.gz JKKLNCLHXRRGCE-MTBHXBHISA-N -1 0 319.325 -0.892 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC000960472901 810178107 /nfs/dbraw/zinc/17/81/07/810178107.db2.gz OACBUQROWHJBLA-QWRGUYRKSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)Cc1cc[nH]n1 ZINC000960520086 810181625 /nfs/dbraw/zinc/18/16/25/810181625.db2.gz GFYFLVJSCKYQNO-LLVKDONJSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)Cn1nccn1 ZINC000960641664 810189465 /nfs/dbraw/zinc/18/94/65/810189465.db2.gz KJFZBJDAURRTII-SNVBAGLBSA-N -1 0 320.357 -0.775 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC000960981910 810215522 /nfs/dbraw/zinc/21/55/22/810215522.db2.gz DWEQZRMBHSFVCB-ZJUUUORDSA-N -1 0 322.369 -0.788 20 0 DBADRM Cc1nonc1C(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC000961058815 810221019 /nfs/dbraw/zinc/22/10/19/810221019.db2.gz QCZVYTQMNRZKHT-VIFPVBQESA-N -1 0 321.341 -0.062 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cc(F)c[nH]1 ZINC000961214298 810248045 /nfs/dbraw/zinc/24/80/45/810248045.db2.gz MSUDBUNYWSQPFF-VROVMSAKSA-N -1 0 306.301 -0.162 20 0 DBADRM O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1csnn1 ZINC000961379125 810270752 /nfs/dbraw/zinc/27/07/52/810270752.db2.gz VXQQNUOANWIKCO-KPCSLPGQSA-N -1 0 307.339 -0.778 20 0 DBADRM O=C(Cc1cnoc1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC000961557529 810309391 /nfs/dbraw/zinc/30/93/91/810309391.db2.gz HMVRENOMONXFNO-GDGBQDQQSA-N -1 0 304.310 -0.713 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CC(C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC000961723629 810353431 /nfs/dbraw/zinc/35/34/31/810353431.db2.gz HIAINLSQHMTBIV-UHFFFAOYSA-N -1 0 321.341 -0.454 20 0 DBADRM Cn1ncc(C(=O)NC2CC(C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1N ZINC000961746623 810360272 /nfs/dbraw/zinc/36/02/72/810360272.db2.gz FCUVFGNEXCFCNJ-UHFFFAOYSA-N -1 0 320.357 -0.876 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccoc3)C[C@@H]2O)c1[O-] ZINC000962302217 810501834 /nfs/dbraw/zinc/50/18/34/810501834.db2.gz GEJOAGQDCFLURH-ZJUUUORDSA-N -1 0 320.305 -0.368 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCC3CC3)C[C@@H]2O)c1[O-] ZINC000962301661 810502185 /nfs/dbraw/zinc/50/21/85/810502185.db2.gz ARINUZDVTATGJI-MNOVXSKESA-N -1 0 322.365 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@@H]2O)c1[O-] ZINC000962302895 810502258 /nfs/dbraw/zinc/50/22/58/810502258.db2.gz KKTGEVOJBLLEMM-KWKBKKAHSA-N -1 0 320.349 -0.309 20 0 DBADRM CC(=O)N[C@H]1CC12CCN(C(=O)c1cnc([O-])n(C)c1=O)CC2 ZINC000962352155 810512779 /nfs/dbraw/zinc/51/27/79/810512779.db2.gz ACMNJEOPXFNPOH-NSHDSACASA-N -1 0 320.349 -0.383 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)c1[O-] ZINC000963506754 810632978 /nfs/dbraw/zinc/63/29/78/810632978.db2.gz BPRJGZHSWVYHOD-BDAKNGLRSA-N -1 0 321.337 -0.885 20 0 DBADRM CC(=O)N1CCC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000963604385 810645995 /nfs/dbraw/zinc/64/59/95/810645995.db2.gz BSRWEPYFGVRNNI-DTWKUNHWSA-N -1 0 307.310 -0.634 20 0 DBADRM CC(=O)N1CC[C@](O)(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001040348501 815387447 /nfs/dbraw/zinc/38/74/47/815387447.db2.gz WEVGOKWPDRZESB-AWEZNQCLSA-N -1 0 320.305 -0.359 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCOC[C@@H]2CNC(=O)C2CC2)c1[O-] ZINC000964037835 810676805 /nfs/dbraw/zinc/67/68/05/810676805.db2.gz JDNFSLKNDJQLDE-JTQLQIEISA-N -1 0 308.338 -0.209 20 0 DBADRM CCC(=O)N1CCCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000964382684 810774009 /nfs/dbraw/zinc/77/40/09/810774009.db2.gz ARRIAVLQPUMHFT-MRVPVSSYSA-N -1 0 309.326 -0.196 20 0 DBADRM CC(=O)N1CCC2(C[C@@H]2NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000964481292 810779890 /nfs/dbraw/zinc/77/98/90/810779890.db2.gz QHTKQRFNMBVBMD-QMMMGPOBSA-N -1 0 307.310 -0.586 20 0 DBADRM CC(=O)N1CCC2(C[C@H]2NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000964602553 810789976 /nfs/dbraw/zinc/78/99/76/810789976.db2.gz PRLRKLUAZWEQSM-LLVKDONJSA-N -1 0 320.349 -0.383 20 0 DBADRM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1=COCCO1 ZINC000964708312 810795724 /nfs/dbraw/zinc/79/57/24/810795724.db2.gz FYZYZZOFXKQJQT-NXEZZACHSA-N -1 0 323.353 -0.275 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cnccn1 ZINC000964778413 810800343 /nfs/dbraw/zinc/80/03/43/810800343.db2.gz YQKMSARIBMWHMM-ONGXEEELSA-N -1 0 317.353 -0.059 20 0 DBADRM CCC(=O)N1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000965058123 810824734 /nfs/dbraw/zinc/82/47/34/810824734.db2.gz IXIBQBCICYCEIA-VIFPVBQESA-N -1 0 311.342 -0.403 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC3(C2)CN(C(=O)C2CC2)CCO3)c1[O-] ZINC000965260479 810849691 /nfs/dbraw/zinc/84/96/91/810849691.db2.gz CFCORXUAXMEQBD-UHFFFAOYSA-N -1 0 320.349 -0.113 20 0 DBADRM CCC(=O)N1CC2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])CCO2 ZINC000965354070 810869014 /nfs/dbraw/zinc/86/90/14/810869014.db2.gz LJBMQQRTZVMIQV-UHFFFAOYSA-N -1 0 308.338 -0.113 20 0 DBADRM CC(=O)NC[C@H]1CCC2(CN(C(=O)c3n[nH]c(C)c3[O-])C2)O1 ZINC000965506461 810895369 /nfs/dbraw/zinc/89/53/69/810895369.db2.gz YKQOYJJPGCNQFW-SNVBAGLBSA-N -1 0 308.338 -0.067 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1ccnn1C ZINC000965526703 810899150 /nfs/dbraw/zinc/89/91/50/810899150.db2.gz OBSLNQVALFMVAJ-UWVGGRQHSA-N -1 0 319.369 -0.116 20 0 DBADRM CCC(=O)N[C@@H]1COC2(CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC000965572896 810908350 /nfs/dbraw/zinc/90/83/50/810908350.db2.gz WVEYNLXYISJYTQ-VIFPVBQESA-N -1 0 308.338 -0.067 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC000965801064 810971224 /nfs/dbraw/zinc/97/12/24/810971224.db2.gz OIEUSRVJTMPSMR-GXSJLCMTSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)N(C)C)CC[C@@H]2C)c1[O-] ZINC000965917267 810987061 /nfs/dbraw/zinc/98/70/61/810987061.db2.gz RZUWOGLTPMOWSE-GXSJLCMTSA-N -1 0 323.397 -0.048 20 0 DBADRM C[C@@H]1CN(C(=O)C2CCC2)C[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000966029051 811005894 /nfs/dbraw/zinc/00/58/94/811005894.db2.gz KKWYPZMIMQZXMH-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@H]1CN(C(=O)C2CC2)C[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000966027341 811006179 /nfs/dbraw/zinc/00/61/79/811006179.db2.gz GIIOYQMMWDBVLK-CBAPKCEASA-N -1 0 309.326 -0.938 20 0 DBADRM C[C@H]1CN(C(=O)C2CCC2)C[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000966033840 811006652 /nfs/dbraw/zinc/00/66/52/811006652.db2.gz UTAVTNCZEXYTEW-CBAPKCEASA-N -1 0 321.337 -0.340 20 0 DBADRM C[C@@H]1CN(C(=O)CC2CC2)C[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000966040853 811007873 /nfs/dbraw/zinc/00/78/73/811007873.db2.gz BRTVWWYRVVIBLA-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@H]1CN(C(=O)C2CC2)C[C@@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000966048730 811007948 /nfs/dbraw/zinc/00/79/48/811007948.db2.gz MUBFWFWCWJUESC-KWQFWETISA-N -1 0 320.349 -0.527 20 0 DBADRM CCCC(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC000966069180 811011431 /nfs/dbraw/zinc/01/14/31/811011431.db2.gz SBKIXFKOCMRXRS-YUMQZZPRSA-N -1 0 309.326 -0.340 20 0 DBADRM CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000966083075 811013587 /nfs/dbraw/zinc/01/35/87/811013587.db2.gz WEHIRSOSFHNTQS-KOLCDFICSA-N -1 0 322.365 -0.137 20 0 DBADRM C/C=C(/C)C(=O)N1C[C@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000966308894 811051308 /nfs/dbraw/zinc/05/13/08/811051308.db2.gz PMTTWHWVHHDZFX-JYUDYDOHSA-N -1 0 321.337 -0.174 20 0 DBADRM C/C=C(/C)C(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1 ZINC000966308896 811051420 /nfs/dbraw/zinc/05/14/20/811051420.db2.gz PMTTWHWVHHDZFX-LSRCEVBISA-N -1 0 321.337 -0.174 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H](NC(=O)c3cnon3)C2)c1[O-] ZINC000966338959 811055633 /nfs/dbraw/zinc/05/56/33/811055633.db2.gz LZUOCVNBGSXCGT-IMTBSYHQSA-N -1 0 320.309 -0.303 20 0 DBADRM CC(C)C(=O)N[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000966647923 811114169 /nfs/dbraw/zinc/11/41/69/811114169.db2.gz LGPJGCFDIRIVFV-BDAKNGLRSA-N -1 0 311.342 -0.692 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1NC(=O)CC1CC1 ZINC000966645377 811114179 /nfs/dbraw/zinc/11/41/79/811114179.db2.gz GPZLXFKJZGOQAC-SCZZXKLOSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1NC(=O)C1CC1 ZINC000966663017 811117432 /nfs/dbraw/zinc/11/74/32/811117432.db2.gz NUZLNYDNGVEUME-KWQFWETISA-N -1 0 320.349 -0.527 20 0 DBADRM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000966808254 811161351 /nfs/dbraw/zinc/16/13/51/811161351.db2.gz LIAYQPOQIAHLAH-SFYZADRCSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1(C)C ZINC000966924173 811185376 /nfs/dbraw/zinc/18/53/76/811185376.db2.gz PPBAPFVCNYFQQR-SECBINFHSA-N -1 0 311.342 -0.548 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)CC2(C)C)c1[O-] ZINC000967004732 811189225 /nfs/dbraw/zinc/18/92/25/811189225.db2.gz OFWQGVUPELOZLL-MRVPVSSYSA-N -1 0 323.353 -0.734 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C(C)(C)C1 ZINC000967091215 811197304 /nfs/dbraw/zinc/19/73/04/811197304.db2.gz UXNQLURLMMPUEE-LLVKDONJSA-N -1 0 322.365 -0.137 20 0 DBADRM CC(=O)N(C)[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000967440756 811259716 /nfs/dbraw/zinc/25/97/16/811259716.db2.gz WKNWHRYLUBWFGK-LLVKDONJSA-N -1 0 322.365 -0.041 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1C ZINC000967683217 811279224 /nfs/dbraw/zinc/27/92/24/811279224.db2.gz ZBROLAQSEHDOOT-IONNQARKSA-N -1 0 320.357 -0.423 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1C ZINC000967683216 811279239 /nfs/dbraw/zinc/27/92/39/811279239.db2.gz ZBROLAQSEHDOOT-CBAPKCEASA-N -1 0 320.357 -0.423 20 0 DBADRM CCN(C(=O)C1CCC1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000967715444 811285236 /nfs/dbraw/zinc/28/52/36/811285236.db2.gz ZQXRQOSCZXIJMR-UHFFFAOYSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC000967738507 811288394 /nfs/dbraw/zinc/28/83/94/811288394.db2.gz UDGQWUAJKPELCS-OYBPUVFXSA-N -1 0 306.322 -0.860 20 0 DBADRM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1c[nH]cn1 ZINC000968361371 811393600 /nfs/dbraw/zinc/39/36/00/811393600.db2.gz WDYHHCIPKNRTTB-GXSJLCMTSA-N -1 0 319.369 -0.197 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC000968432375 811405770 /nfs/dbraw/zinc/40/57/70/811405770.db2.gz IAHXVKTVAOJPDS-SSDOTTSWSA-N -1 0 307.314 -0.748 20 0 DBADRM C[C@@H]1CCN(CCF)C[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000968544932 811438414 /nfs/dbraw/zinc/43/84/14/811438414.db2.gz WZRFNWYZGVRYBN-MWLCHTKSSA-N -1 0 322.344 -0.173 20 0 DBADRM Cn1ncc(CN[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)n1 ZINC000969034300 811537421 /nfs/dbraw/zinc/53/74/21/811537421.db2.gz BEELRMBLULZOFE-SECBINFHSA-N -1 0 303.326 -0.685 20 0 DBADRM O=C(NC[C@@H]1CCCCCN1Cc1n[nH]c(=O)[n-]1)c1nnc[nH]1 ZINC000969075315 811542888 /nfs/dbraw/zinc/54/28/88/811542888.db2.gz HFFBSLXOBAEAHU-VIFPVBQESA-N -1 0 320.357 -0.197 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccncn3)C2)c1[O-] ZINC000974031999 811580616 /nfs/dbraw/zinc/58/06/16/811580616.db2.gz FSJUFQHTLAEQNU-DTORHVGOSA-N -1 0 316.321 -0.095 20 0 DBADRM Cc1cc(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)n(C)n1 ZINC000990373439 811609351 /nfs/dbraw/zinc/60/93/51/811609351.db2.gz FBHXNDSQGQFPFK-UHFFFAOYSA-N -1 0 318.337 -0.280 20 0 DBADRM CC(=O)N(C)C[C@@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000990563094 811702066 /nfs/dbraw/zinc/70/20/66/811702066.db2.gz ZCDNTJBROBRZPJ-VIFPVBQESA-N -1 0 309.326 -0.244 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)C[C@H]3CCOC3)C2)c1[O-] ZINC000990568672 811705186 /nfs/dbraw/zinc/70/51/86/811705186.db2.gz FYYUIGJHQMPIPP-SECBINFHSA-N -1 0 308.338 -0.209 20 0 DBADRM CC(=O)N(C)C[C@@H]1CCCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000990570275 811706339 /nfs/dbraw/zinc/70/63/39/811706339.db2.gz STQZSGNAVWQSHL-NSHDSACASA-N -1 0 322.365 -0.041 20 0 DBADRM O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000990697646 811744973 /nfs/dbraw/zinc/74/49/73/811744973.db2.gz GWODPBKAONIKHI-BRPSZJMVSA-N -1 0 319.321 -0.731 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@H]3CCO[C@@H]3C)C2)c1[O-] ZINC000990858658 811790686 /nfs/dbraw/zinc/79/06/86/811790686.db2.gz GRUZBGGDVDLFQT-SCZZXKLOSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1ccn(CC(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC000990858889 811790824 /nfs/dbraw/zinc/79/08/24/811790824.db2.gz LBGLZLDWTBKUAB-UHFFFAOYSA-N -1 0 318.337 -0.431 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CCO[C@@H]3C)C2)c1[O-] ZINC000990858656 811790929 /nfs/dbraw/zinc/79/09/29/811790929.db2.gz GRUZBGGDVDLFQT-PSASIEDQSA-N -1 0 308.338 -0.211 20 0 DBADRM CCc1cc(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)[nH]n1 ZINC000990863047 811791368 /nfs/dbraw/zinc/79/13/68/811791368.db2.gz BJYMTHMITPKREM-UHFFFAOYSA-N -1 0 318.337 -0.036 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H](C)CO3)C2)c1[O-] ZINC000990863708 811792477 /nfs/dbraw/zinc/79/24/77/811792477.db2.gz GQEPHNWFUCEHLH-XCBNKYQSSA-N -1 0 308.338 -0.211 20 0 DBADRM Cc1conc1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990864246 811793168 /nfs/dbraw/zinc/79/31/68/811793168.db2.gz VVJLXYPHPJGWNR-UHFFFAOYSA-N -1 0 305.294 -0.025 20 0 DBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000990864979 811793716 /nfs/dbraw/zinc/79/37/16/811793716.db2.gz OKWHFDAHPQMVSO-RKDXNWHRSA-N -1 0 322.321 -0.827 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)c3ccc(C)nn3)C2)c1[O-] ZINC000990864724 811793944 /nfs/dbraw/zinc/79/39/44/811793944.db2.gz MGXJNUOUYAOQPL-UHFFFAOYSA-N -1 0 316.321 -0.223 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3ccnc(C)n3)C[C@H]2O)c1[O-] ZINC001040975414 815475877 /nfs/dbraw/zinc/47/58/77/815475877.db2.gz JOFYZPTWNAXYCT-NXEZZACHSA-N -1 0 318.337 -0.498 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)Cc3cncnc3)C2)c1[O-] ZINC000991070171 811865564 /nfs/dbraw/zinc/86/55/64/811865564.db2.gz GVDYDMRWDYZANU-UHFFFAOYSA-N -1 0 316.321 -0.603 20 0 DBADRM CCC(=O)NCC1(O)CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001041027766 815484658 /nfs/dbraw/zinc/48/46/58/815484658.db2.gz YTXIPAMMDUQHSA-UHFFFAOYSA-N -1 0 320.305 -0.359 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C3CCC3)[C@H](O)C2)c1[O-] ZINC000991177722 811936592 /nfs/dbraw/zinc/93/65/92/811936592.db2.gz GSABNOIAIVPMNY-WDEREUQCSA-N -1 0 322.365 -0.085 20 0 DBADRM CCn1ncc(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)n1 ZINC000991182976 811941797 /nfs/dbraw/zinc/94/17/97/811941797.db2.gz GNTNSVMZYZTXDX-UHFFFAOYSA-N -1 0 319.325 -0.710 20 0 DBADRM CC(=O)N[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC[C@@H]1C ZINC001004290564 811971430 /nfs/dbraw/zinc/97/14/30/811971430.db2.gz HFMYYWQBHBYKLA-KWQFWETISA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@H]1CCN(C(=O)C2CC2)C[C@@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001005100229 812029590 /nfs/dbraw/zinc/02/95/90/812029590.db2.gz KCLFFNVBKSGPOD-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM CN(C(=O)Cc1cc[nH]n1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005207380 812045619 /nfs/dbraw/zinc/04/56/19/812045619.db2.gz VMWDLWVPSXYXLS-UHFFFAOYSA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C(=O)c1cn(C)cn1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005253456 812054999 /nfs/dbraw/zinc/05/49/99/812054999.db2.gz WLJRPDNJYVOKKR-UHFFFAOYSA-N -1 0 319.369 -0.020 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCCCN2C(=O)C(N)=O)c1[O-] ZINC001005414580 812066677 /nfs/dbraw/zinc/06/66/77/812066677.db2.gz ZWVLDBNCJFWQMN-SECBINFHSA-N -1 0 323.353 -0.590 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCCCN2C(=O)C(N)=O)c1[O-] ZINC001005414581 812067024 /nfs/dbraw/zinc/06/70/24/812067024.db2.gz ZWVLDBNCJFWQMN-VIFPVBQESA-N -1 0 323.353 -0.590 20 0 DBADRM CC(=O)NCC1(O)CN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC001041067754 815502463 /nfs/dbraw/zinc/50/24/63/815502463.db2.gz PVNVHMVJQZTWJD-UHFFFAOYSA-N -1 0 324.381 -0.916 20 0 DBADRM CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005846897 812124558 /nfs/dbraw/zinc/12/45/58/812124558.db2.gz RNFPHHJOPYYQJD-PJXYFTJBSA-N -1 0 321.381 -0.175 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)N(C)C1CCN([C@H](C)C(N)=O)CC1 ZINC001005861056 812125845 /nfs/dbraw/zinc/12/58/45/812125845.db2.gz UDYYOAZNUOPCRS-SNVBAGLBSA-N -1 0 321.381 -0.099 20 0 DBADRM C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C1CN(C(=O)C2CC2)C1 ZINC001006551812 812216462 /nfs/dbraw/zinc/21/64/62/812216462.db2.gz FQUQRBPIJYPLMO-QMMMGPOBSA-N -1 0 320.349 -0.527 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc(=O)[nH]n1 ZINC001006683056 812235282 /nfs/dbraw/zinc/23/52/82/812235282.db2.gz XIHZVPRLCZDFJW-MRVPVSSYSA-N -1 0 319.325 -0.600 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc(=O)[nH]n1 ZINC001006683057 812235441 /nfs/dbraw/zinc/23/54/41/812235441.db2.gz XIHZVPRLCZDFJW-QMMMGPOBSA-N -1 0 319.325 -0.600 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCNC(=O)C1 ZINC001007109321 812268121 /nfs/dbraw/zinc/26/81/21/812268121.db2.gz XJKHHNZVFLTCDL-ZJUUUORDSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3nnnn3C)C2)c1[O-] ZINC001007123143 812268746 /nfs/dbraw/zinc/26/87/46/812268746.db2.gz UUXBUIPZQQWVOX-SECBINFHSA-N -1 0 320.357 -0.658 20 0 DBADRM CNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001007132598 812269822 /nfs/dbraw/zinc/26/98/22/812269822.db2.gz ANXXTMMYESXSQN-NXEZZACHSA-N -1 0 309.370 -0.248 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001007161487 812272464 /nfs/dbraw/zinc/27/24/64/812272464.db2.gz HSFYAASTLONPSB-ZJUUUORDSA-N -1 0 320.357 -0.556 20 0 DBADRM Cn1ncc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)c1N ZINC001007173010 812273043 /nfs/dbraw/zinc/27/30/43/812273043.db2.gz KWQZHWGSDCVBAS-QMMMGPOBSA-N -1 0 320.357 -0.780 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001007259880 812287407 /nfs/dbraw/zinc/28/74/07/812287407.db2.gz FPJVVSOIVJUJAX-MRVPVSSYSA-N -1 0 306.330 -0.967 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc[nH]c1=O ZINC001007577329 812330136 /nfs/dbraw/zinc/33/01/36/812330136.db2.gz RSYPZMUHQZXORQ-MRVPVSSYSA-N -1 0 319.325 -0.600 20 0 DBADRM Cn1cncc1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001007812498 812360152 /nfs/dbraw/zinc/36/01/52/812360152.db2.gz RFOOYINDISMEEB-SECBINFHSA-N -1 0 305.342 -0.362 20 0 DBADRM O=C(Cc1cnoc1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008277695 812409159 /nfs/dbraw/zinc/40/91/59/812409159.db2.gz VEXUNADKWIJHLJ-SNVBAGLBSA-N -1 0 306.326 -0.178 20 0 DBADRM CCC(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C(C)(C)C1 ZINC001008392373 812426133 /nfs/dbraw/zinc/42/61/33/812426133.db2.gz BLWJPZGPOZVKSG-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccnnc1 ZINC001008643231 812454547 /nfs/dbraw/zinc/45/45/47/812454547.db2.gz WFKSMBARPODTEN-JTQLQIEISA-N -1 0 303.326 -0.305 20 0 DBADRM Cc1ccnn1CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008701435 812461911 /nfs/dbraw/zinc/46/19/11/812461911.db2.gz AKJWKZHOJQPPPR-LLVKDONJSA-N -1 0 319.369 -0.204 20 0 DBADRM O=C(C[C@@H]1CCC(=O)N1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001008855716 812479738 /nfs/dbraw/zinc/47/97/38/812479738.db2.gz POSQBQZXMLZJFH-UWVGGRQHSA-N -1 0 322.369 -0.740 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCN(Cc2ccon2)C1 ZINC001009331657 812531816 /nfs/dbraw/zinc/53/18/16/812531816.db2.gz XERQGLIVSXYSLZ-SECBINFHSA-N -1 0 322.325 -0.542 20 0 DBADRM CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C1 ZINC001009765984 812588807 /nfs/dbraw/zinc/58/88/07/812588807.db2.gz KAQJCAZVEROQNC-GMTAPVOTSA-N -1 0 323.353 -0.548 20 0 DBADRM CCC(=O)N1C[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001009892576 812601577 /nfs/dbraw/zinc/60/15/77/812601577.db2.gz QQBACNRFWSTQTI-NXEZZACHSA-N -1 0 322.365 -0.137 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc[n+]([O-])cc1 ZINC001010030731 812611744 /nfs/dbraw/zinc/61/17/44/812611744.db2.gz NXLVCKYMORYDTF-JTQLQIEISA-N -1 0 304.310 -0.852 20 0 DBADRM CC(=O)NC[C@H]1C[C@@H](C)N(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001010206313 812636771 /nfs/dbraw/zinc/63/67/71/812636771.db2.gz BLASWWXSWYVZRK-PSASIEDQSA-N -1 0 323.353 -0.412 20 0 DBADRM CC(=O)NC[C@H]1C[C@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001010234551 812640054 /nfs/dbraw/zinc/64/00/54/812640054.db2.gz DHJKECINGHVGTB-WCBMZHEXSA-N -1 0 308.338 -0.527 20 0 DBADRM C[C@@H]1C[C@H](CNC(=O)C2CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001010237956 812641895 /nfs/dbraw/zinc/64/18/95/812641895.db2.gz NLOZSZFGLXGHFZ-RKDXNWHRSA-N -1 0 323.353 -0.548 20 0 DBADRM Cn1cc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001010363985 812672080 /nfs/dbraw/zinc/67/20/80/812672080.db2.gz GTSABMKBJYPGKD-JTQLQIEISA-N -1 0 305.342 -0.823 20 0 DBADRM Cc1[nH]nc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1C ZINC001010397736 812683316 /nfs/dbraw/zinc/68/33/16/812683316.db2.gz PQVLMPKEIQBLSQ-SECBINFHSA-N -1 0 305.342 -0.145 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)N3CCCC3)C2)c1[O-] ZINC001010543340 812714676 /nfs/dbraw/zinc/71/46/76/812714676.db2.gz GPEXADFZCPQAAI-NSHDSACASA-N -1 0 321.381 -0.150 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN([C@H](C)C(=O)NC3CC3)C2)c1[O-] ZINC001010545086 812715514 /nfs/dbraw/zinc/71/55/14/812715514.db2.gz JRMPCRQFRXUFQC-KOLCDFICSA-N -1 0 321.381 -0.105 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(=O)N(C)C3CC3)C2)c1[O-] ZINC001010548435 812716109 /nfs/dbraw/zinc/71/61/09/812716109.db2.gz UFVAFIPUSHFUSX-SNVBAGLBSA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3cnn(C)n3)C2)c1[O-] ZINC001010621862 812727433 /nfs/dbraw/zinc/72/74/33/812727433.db2.gz VCAICFZLTLODIB-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ncnn3C)C2)c1[O-] ZINC001010628743 812728672 /nfs/dbraw/zinc/72/86/72/812728672.db2.gz LIWSJXNHZSZWHM-SECBINFHSA-N -1 0 305.342 -0.443 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN([C@@H](C)c3nnnn3C)C2)c1[O-] ZINC001010630401 812729616 /nfs/dbraw/zinc/72/96/16/812729616.db2.gz NXAOHEWQKHUBSB-IUCAKERBSA-N -1 0 320.357 -0.487 20 0 DBADRM CCN1CC[C@@H](N2CC[C@@H](NC(=O)c3[nH]nc(C)c3[O-])C2)C1=O ZINC001010645628 812732837 /nfs/dbraw/zinc/73/28/37/812732837.db2.gz ZSXBFXZPAZUKDP-GHMZBOCLSA-N -1 0 321.381 -0.151 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001010693341 812743948 /nfs/dbraw/zinc/74/39/48/812743948.db2.gz YIBOERYBPHWFAE-IUCAKERBSA-N -1 0 306.330 -0.947 20 0 DBADRM O=C(CC1CCC1)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001010892480 812798486 /nfs/dbraw/zinc/79/84/86/812798486.db2.gz CQKQEQDAHWBENJ-UHFFFAOYSA-N -1 0 321.337 -0.243 20 0 DBADRM C/C=C(/C)C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001010946055 812802559 /nfs/dbraw/zinc/80/25/59/812802559.db2.gz HCUSXWBOKMNTMS-OQFOIZHKSA-N -1 0 309.326 -0.674 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)c3cncn3C)CC2)c1[O-] ZINC001011010209 812812029 /nfs/dbraw/zinc/81/20/29/812812029.db2.gz XVFIAEIEFJKNBW-UHFFFAOYSA-N -1 0 318.337 -0.245 20 0 DBADRM CC1(C)C[C@H]1C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001011015024 812813258 /nfs/dbraw/zinc/81/32/58/812813258.db2.gz NXQLVGDMAKPSGL-QMMMGPOBSA-N -1 0 321.337 -0.387 20 0 DBADRM C[C@@H]1[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C1CC1 ZINC001011356356 812884018 /nfs/dbraw/zinc/88/40/18/812884018.db2.gz YNIJMMJBIYATIM-VXNVDRBHSA-N -1 0 309.326 -0.795 20 0 DBADRM C[C@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C1CCC1 ZINC001011364417 812884877 /nfs/dbraw/zinc/88/48/77/812884877.db2.gz MHUBNJGWAWKKIG-WPRPVWTQSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(C)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001011503444 812902270 /nfs/dbraw/zinc/90/22/70/812902270.db2.gz NLSCVCHMMFWWBO-YUMQZZPRSA-N -1 0 309.326 -0.342 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)[C@H]2C)c1[O-] ZINC001011591389 812916904 /nfs/dbraw/zinc/91/69/04/812916904.db2.gz LWZKKBHLMRZCCU-YUMQZZPRSA-N -1 0 309.326 -0.982 20 0 DBADRM Cc1c(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]n3)[C@H]2C)nnn1C ZINC001011609434 812920284 /nfs/dbraw/zinc/92/02/84/812920284.db2.gz GLYSNYFUFBNKMX-VXNVDRBHSA-N -1 0 318.341 -0.725 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3C)C2)c1[O-] ZINC001041285428 815563587 /nfs/dbraw/zinc/56/35/87/815563587.db2.gz KZMCZESAYBZYOS-VXNVDRBHSA-N -1 0 308.338 -0.617 20 0 DBADRM CC(C)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001011930811 812973167 /nfs/dbraw/zinc/97/31/67/812973167.db2.gz NXGVQGSVFHUFEA-YUMQZZPRSA-N -1 0 309.326 -0.342 20 0 DBADRM CCC(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)[C@@H]1C ZINC001011947003 812975309 /nfs/dbraw/zinc/97/53/09/812975309.db2.gz BDPNTPOCUPWRJV-PSASIEDQSA-N -1 0 308.338 -0.385 20 0 DBADRM CCC(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)[C@H]1C ZINC001011947006 812975334 /nfs/dbraw/zinc/97/53/34/812975334.db2.gz BDPNTPOCUPWRJV-WCBMZHEXSA-N -1 0 308.338 -0.385 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@H]2C)c1[O-] ZINC001011964794 812980319 /nfs/dbraw/zinc/98/03/19/812980319.db2.gz RVYXHCWDJFFWLR-JGVFFNPUSA-N -1 0 319.325 -0.425 20 0 DBADRM C/C=C(/C)C(=O)N1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001012449795 813058055 /nfs/dbraw/zinc/05/80/55/813058055.db2.gz MWNUOZWGKOVWQM-QNVIJMGISA-N -1 0 321.337 -0.032 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C2(C)CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013413683 813138241 /nfs/dbraw/zinc/13/82/41/813138241.db2.gz PHFQIQCIFYOFKF-YUMQZZPRSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)CC2CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001013416186 813138812 /nfs/dbraw/zinc/13/88/12/813138812.db2.gz YZNWEWRJTPZUNI-VXNVDRBHSA-N -1 0 321.337 -0.198 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C2(C)CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013487786 813141582 /nfs/dbraw/zinc/14/15/82/813141582.db2.gz NRRXAVYEVGJPRA-IUCAKERBSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)C2CCC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013492134 813141702 /nfs/dbraw/zinc/14/17/02/813141702.db2.gz NMQJHDITUSCBHJ-PSASIEDQSA-N -1 0 323.353 -0.405 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)C2CC2)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001013493166 813141787 /nfs/dbraw/zinc/14/17/87/813141787.db2.gz SHAVLKPNFRNCOK-APPZFPTMSA-N -1 0 309.326 -0.795 20 0 DBADRM CCC(=O)N[C@]12CCC[C@H]1N(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC001014106184 813209857 /nfs/dbraw/zinc/20/98/57/813209857.db2.gz FMFYOMLYRZUJKO-CLAHSXSESA-N -1 0 321.337 -0.054 20 0 DBADRM CC(=O)N1CC[C@@]2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CCC[C@@H]12 ZINC001014360771 813222472 /nfs/dbraw/zinc/22/24/72/813222472.db2.gz PAHZGXHCLFSXRG-OQPBUACISA-N -1 0 307.310 -0.444 20 0 DBADRM CCn1nncc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014369271 813223848 /nfs/dbraw/zinc/22/38/48/813223848.db2.gz LGHVAHBPRURESX-MRVPVSSYSA-N -1 0 306.330 -0.874 20 0 DBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001014458493 813250227 /nfs/dbraw/zinc/25/02/27/813250227.db2.gz FMYOETCUPXWJRG-KXUCPTDWSA-N -1 0 322.369 -0.885 20 0 DBADRM COc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)sn1 ZINC001014478496 813252872 /nfs/dbraw/zinc/25/28/72/813252872.db2.gz HFDDTTLXAQIYBL-ZETCQYMHSA-N -1 0 324.366 -0.020 20 0 DBADRM CCn1ccc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001014507713 813257049 /nfs/dbraw/zinc/25/70/49/813257049.db2.gz IPXQBZHVCFAQLP-NSHDSACASA-N -1 0 319.369 -0.340 20 0 DBADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c(C)nn1 ZINC001014561463 813265147 /nfs/dbraw/zinc/26/51/47/813265147.db2.gz TVXUHYIRPQZXLU-JTQLQIEISA-N -1 0 317.353 -0.079 20 0 DBADRM CC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC001014606482 813272519 /nfs/dbraw/zinc/27/25/19/813272519.db2.gz XTZIJIMSUHFFCQ-KXUCPTDWSA-N -1 0 321.337 -0.340 20 0 DBADRM CC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC001014604104 813273041 /nfs/dbraw/zinc/27/30/41/813273041.db2.gz SQXWTLPJBQTQQH-OUAUKWLOSA-N -1 0 323.353 -0.548 20 0 DBADRM CCN1C[C@H](C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001014639806 813283285 /nfs/dbraw/zinc/28/32/85/813283285.db2.gz XYTHRKPSJWQTFL-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM CCC(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001014656924 813287433 /nfs/dbraw/zinc/28/74/33/813287433.db2.gz WZTGKJWRECCEQT-SFYZADRCSA-N -1 0 309.326 -0.198 20 0 DBADRM C[C@H]1[C@H](NC(=O)C2CC2)CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001014680364 813292236 /nfs/dbraw/zinc/29/22/36/813292236.db2.gz QSCLVPVOKJMSQH-IONNQARKSA-N -1 0 321.337 -0.198 20 0 DBADRM Cc1ncc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001014697952 813295285 /nfs/dbraw/zinc/29/52/85/813295285.db2.gz CWHJAFPMQZIZCV-VIFPVBQESA-N -1 0 306.326 -0.260 20 0 DBADRM C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001014788675 813310930 /nfs/dbraw/zinc/31/09/30/813310930.db2.gz KFGGUONWWNVZCA-NGZCFLSTSA-N -1 0 311.342 -0.995 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cn[nH]c(=O)c1 ZINC001014838303 813321202 /nfs/dbraw/zinc/32/12/02/813321202.db2.gz LIRWFLHNHAKXMU-MRVPVSSYSA-N -1 0 305.298 -0.990 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C)c1[O-] ZINC001014880413 813329955 /nfs/dbraw/zinc/32/99/55/813329955.db2.gz WWZUYNWMCUAYRH-RKDXNWHRSA-N -1 0 323.353 -0.592 20 0 DBADRM Cc1cc(CN2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)no1 ZINC001015110521 813371063 /nfs/dbraw/zinc/37/10/63/813371063.db2.gz UOCZXDDXVQDSMP-MRVPVSSYSA-N -1 0 320.309 -0.416 20 0 DBADRM Cn1ccnc1CN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015109765 813371201 /nfs/dbraw/zinc/37/12/01/813371201.db2.gz NABVEQPZYJSPOD-MRVPVSSYSA-N -1 0 319.325 -0.979 20 0 DBADRM Cc1ncc(CN2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001015117942 813371627 /nfs/dbraw/zinc/37/16/27/813371627.db2.gz HLSXVVVZTLDRKS-MRVPVSSYSA-N -1 0 320.309 -0.416 20 0 DBADRM CCn1cc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001015358807 813411415 /nfs/dbraw/zinc/41/14/15/813411415.db2.gz ZGVRDKUNSYYXDE-SECBINFHSA-N -1 0 320.357 -0.945 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015450152 813424426 /nfs/dbraw/zinc/42/44/26/813424426.db2.gz USDMFHUAPHQXAY-SNVBAGLBSA-N -1 0 319.369 -0.135 20 0 DBADRM COc1nn(C)cc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015494878 813435638 /nfs/dbraw/zinc/43/56/38/813435638.db2.gz HXAIMWQSBFOPKB-MRVPVSSYSA-N -1 0 321.341 -0.743 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cncnc1 ZINC001015606471 813473458 /nfs/dbraw/zinc/47/34/58/813473458.db2.gz CNOPWKLJDLXDEX-ONGXEEELSA-N -1 0 317.353 -0.206 20 0 DBADRM O=C(CC1=CCOCC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015660768 813491863 /nfs/dbraw/zinc/49/18/63/813491863.db2.gz JPHSKOZWDFGCLE-LLVKDONJSA-N -1 0 307.354 -0.062 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001015729300 813515043 /nfs/dbraw/zinc/51/50/43/813515043.db2.gz BSKDTDZKMBCBGE-ZDCRXTMVSA-N -1 0 307.354 -0.232 20 0 DBADRM Cc1ncc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c(C)n1 ZINC001015869019 813547113 /nfs/dbraw/zinc/54/71/13/813547113.db2.gz GROLQIMBANDBMQ-JTQLQIEISA-N -1 0 317.353 -0.079 20 0 DBADRM CCn1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001015916776 813563626 /nfs/dbraw/zinc/56/36/26/813563626.db2.gz QDTCMIROFIICCM-MRVPVSSYSA-N -1 0 306.330 -0.874 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001015961744 813573485 /nfs/dbraw/zinc/57/34/85/813573485.db2.gz BCWROBKCXUQWIZ-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@@H](C(N)=O)N1CC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001015988904 813582164 /nfs/dbraw/zinc/58/21/64/813582164.db2.gz IAUIJYGKFISCEW-YUMQZZPRSA-N -1 0 319.321 -0.394 20 0 DBADRM Cn1cncc1CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001015996781 813585608 /nfs/dbraw/zinc/58/56/08/813585608.db2.gz QOPGATDMWYSTCX-SECBINFHSA-N -1 0 305.342 -0.823 20 0 DBADRM Cn1cccc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1=O ZINC001016013090 813590511 /nfs/dbraw/zinc/59/05/11/813590511.db2.gz JYACGKKYQWRSIE-SECBINFHSA-N -1 0 318.337 -0.787 20 0 DBADRM Cn1cccc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c1=O ZINC001016013091 813590744 /nfs/dbraw/zinc/59/07/44/813590744.db2.gz JYACGKKYQWRSIE-VIFPVBQESA-N -1 0 318.337 -0.787 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(Cc2ccon2)C1 ZINC001016111780 813599450 /nfs/dbraw/zinc/59/94/50/813599450.db2.gz UKDFVZKBDSPZAZ-MRVPVSSYSA-N -1 0 308.298 -0.932 20 0 DBADRM Cc1ncoc1CN1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016111744 813600111 /nfs/dbraw/zinc/60/01/11/813600111.db2.gz UAQJXAYNXODGLE-SECBINFHSA-N -1 0 322.325 -0.624 20 0 DBADRM Cc1cnc(CN2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001016111114 813600381 /nfs/dbraw/zinc/60/03/81/813600381.db2.gz PNJMIZPRXBCGLX-SECBINFHSA-N -1 0 322.325 -0.624 20 0 DBADRM CN(C(=O)C(F)F)C1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016143684 813608454 /nfs/dbraw/zinc/60/84/54/813608454.db2.gz HLTNBKSWLQFEIJ-UHFFFAOYSA-N -1 0 319.268 -0.940 20 0 DBADRM CN(C(=O)CC1CC1)C1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016169579 813611365 /nfs/dbraw/zinc/61/13/65/813611365.db2.gz ZEKVKMZYDCBVGE-UHFFFAOYSA-N -1 0 323.353 -0.405 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC(NC(=O)C2CC2)C1 ZINC001016789725 813720289 /nfs/dbraw/zinc/72/02/89/813720289.db2.gz VWDGGYSNVHRSCT-UHFFFAOYSA-N -1 0 307.310 -0.588 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC(NC(=O)C(F)F)C1 ZINC001016816983 813725386 /nfs/dbraw/zinc/72/53/86/813725386.db2.gz WAUOKNSPYWSUED-UHFFFAOYSA-N -1 0 319.268 -0.940 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC(NC(=O)C2CC2)C1 ZINC001016816710 813725559 /nfs/dbraw/zinc/72/55/59/813725559.db2.gz UWUSINSJJXBLHV-UHFFFAOYSA-N -1 0 309.326 -0.795 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)C2CC2)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001017890553 813847837 /nfs/dbraw/zinc/84/78/37/813847837.db2.gz MOLFBEDZCUKSLM-IONNQARKSA-N -1 0 321.337 -0.198 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CC[C@H](C)N(C(=O)CC(N)=O)C2)c1[O-] ZINC001018088386 813862092 /nfs/dbraw/zinc/86/20/92/813862092.db2.gz NQBLJNHILJDSSA-CBAPKCEASA-N -1 0 323.353 -0.592 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)CC(N)=O)C2)c1[O-] ZINC001018088387 813862417 /nfs/dbraw/zinc/86/24/17/813862417.db2.gz NQBLJNHILJDSSA-IONNQARKSA-N -1 0 323.353 -0.592 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C(N)=O)CC[C@H]2C)c1[O-] ZINC001018373374 813901724 /nfs/dbraw/zinc/90/17/24/813901724.db2.gz SMXLQWLZCIDFRE-SVRRBLITSA-N -1 0 309.326 -0.982 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@@H]1C ZINC001018596898 813935817 /nfs/dbraw/zinc/93/58/17/813935817.db2.gz GSAPHZVKHUGQBK-CBAPKCEASA-N -1 0 309.326 -0.483 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NCc3cn(C)nn3)C2)c1[O-] ZINC001018721937 813967405 /nfs/dbraw/zinc/96/74/05/813967405.db2.gz MIEVFMAKMXXXPW-VIFPVBQESA-N -1 0 305.342 -0.443 20 0 DBADRM COc1cc(C(=O)N2CC[C@H](NCc3nc(=O)n(C)[nH]3)C2)on1 ZINC001018745610 813972446 /nfs/dbraw/zinc/97/24/46/813972446.db2.gz RLOWVQRXPJTCHA-QMMMGPOBSA-N -1 0 322.325 -0.891 20 0 DBADRM Cc1cc(CN[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)no1 ZINC001019094810 814070109 /nfs/dbraw/zinc/07/01/09/814070109.db2.gz NLKLAHFPHMCVSA-QMMMGPOBSA-N -1 0 320.309 -0.416 20 0 DBADRM Cc1conc1CN[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001019094885 814070541 /nfs/dbraw/zinc/07/05/41/814070541.db2.gz QSGVLKWUYRPCDK-QMMMGPOBSA-N -1 0 320.309 -0.416 20 0 DBADRM CC(C)C(=O)N1CCC2(CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC001019222553 814093899 /nfs/dbraw/zinc/09/38/99/814093899.db2.gz HDLUCESCNZZHNG-UHFFFAOYSA-N -1 0 321.337 -0.387 20 0 DBADRM CC(=O)N1CCC2(CN(C(=O)c3cnc([O-])n(C)c3=O)C2)C1 ZINC001019247487 814104174 /nfs/dbraw/zinc/10/41/74/814104174.db2.gz SZGOVBCJLFYHMB-UHFFFAOYSA-N -1 0 306.322 -0.820 20 0 DBADRM CC(=O)N1CCCC[C@@H]1CN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001019695159 814221312 /nfs/dbraw/zinc/22/13/12/814221312.db2.gz IJHXGOASTDDNIH-LLVKDONJSA-N -1 0 322.365 -0.041 20 0 DBADRM COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)on1 ZINC001020091865 814292085 /nfs/dbraw/zinc/29/20/85/814292085.db2.gz DWGLRLSCSSDUPD-ZKCHVHJHSA-N -1 0 322.325 -0.844 20 0 DBADRM O=C(N[C@H]1C[C@H](NCc2nncs2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001020353278 814361412 /nfs/dbraw/zinc/36/14/12/814361412.db2.gz XWPBYKJNLVUVJD-IZLXSQMJSA-N -1 0 323.338 -0.815 20 0 DBADRM CN(C(=O)Cc1ccn(C)n1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033074232 814404169 /nfs/dbraw/zinc/40/41/69/814404169.db2.gz GHMWZCBNOWOHMH-NSHDSACASA-N -1 0 319.369 -0.481 20 0 DBADRM Cc1nnc(CC(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001033074071 814404800 /nfs/dbraw/zinc/40/48/00/814404800.db2.gz CVUFIGNBWBTWJB-VIFPVBQESA-N -1 0 320.357 -0.788 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCN(Cc2ccon2)C1 ZINC001033230893 814452055 /nfs/dbraw/zinc/45/20/55/814452055.db2.gz WAZNAPCECDFTON-SECBINFHSA-N -1 0 320.309 -0.383 20 0 DBADRM CN(C(=O)[C@H]1CCN(C)C1=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033341075 814482481 /nfs/dbraw/zinc/48/24/81/814482481.db2.gz LAXWKYLLHWIIEQ-UWVGGRQHSA-N -1 0 322.369 -0.979 20 0 DBADRM CN(C(=O)[C@H]1CCC(=O)N1C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033356737 814487492 /nfs/dbraw/zinc/48/74/92/814487492.db2.gz XDVLLHCPKOHJBI-VHSXEESVSA-N -1 0 322.369 -0.836 20 0 DBADRM CN(C(=O)Cc1cnc[nH]1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033451893 814511016 /nfs/dbraw/zinc/51/10/16/814511016.db2.gz GXCDNSZGMYWZGV-JTQLQIEISA-N -1 0 305.342 -0.491 20 0 DBADRM CCn1cc(C(=O)N(C)[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001033549604 814538189 /nfs/dbraw/zinc/53/81/89/814538189.db2.gz QOCGOTHUWJUCKS-VIFPVBQESA-N -1 0 320.357 -0.532 20 0 DBADRM CN(C(=O)Cc1ncc[nH]1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033543580 814538801 /nfs/dbraw/zinc/53/88/01/814538801.db2.gz MAUKVYQBIOBIPF-VIFPVBQESA-N -1 0 305.342 -0.491 20 0 DBADRM CN(C(=O)c1ccn(C)n1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033658553 814564517 /nfs/dbraw/zinc/56/45/17/814564517.db2.gz YYRROLHZWYSLKF-VIFPVBQESA-N -1 0 305.342 -0.410 20 0 DBADRM CN(C(=O)Cn1ccnc1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033703559 814575407 /nfs/dbraw/zinc/57/54/07/814575407.db2.gz GWLHNHWUODSPPY-JTQLQIEISA-N -1 0 305.342 -0.560 20 0 DBADRM CN(C(=O)Cn1ccnc1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033703560 814575972 /nfs/dbraw/zinc/57/59/72/814575972.db2.gz GWLHNHWUODSPPY-SNVBAGLBSA-N -1 0 305.342 -0.560 20 0 DBADRM CCN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033817051 814589786 /nfs/dbraw/zinc/58/97/86/814589786.db2.gz QXKRHSKKUOOMMP-BDAKNGLRSA-N -1 0 324.341 -0.959 20 0 DBADRM CCN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033817056 814590025 /nfs/dbraw/zinc/59/00/25/814590025.db2.gz QXKRHSKKUOOMMP-RKDXNWHRSA-N -1 0 324.341 -0.959 20 0 DBADRM CCN(C(=O)[C@H]1CCNC1=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033919712 814607048 /nfs/dbraw/zinc/60/70/48/814607048.db2.gz OCICFXKCHNTJSQ-UWVGGRQHSA-N -1 0 322.369 -0.931 20 0 DBADRM CCN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033929722 814611030 /nfs/dbraw/zinc/61/10/30/814611030.db2.gz OYGAUGWKCKEMNT-MEWQQHAOSA-N -1 0 321.381 -0.175 20 0 DBADRM O=C(N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)C1=COCCO1 ZINC001034084476 814633176 /nfs/dbraw/zinc/63/31/76/814633176.db2.gz OURHHJXNMSVQSX-JTQLQIEISA-N -1 0 323.353 -0.131 20 0 DBADRM O=C(N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnon1 ZINC001034450646 814684621 /nfs/dbraw/zinc/68/46/21/814684621.db2.gz NKHCACATOJVMLA-QMMMGPOBSA-N -1 0 307.314 -0.322 20 0 DBADRM O=C(Cn1ccnc1)N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034546290 814699002 /nfs/dbraw/zinc/69/90/02/814699002.db2.gz CUZOYXVOVLWROX-LLVKDONJSA-N -1 0 319.369 -0.122 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ccco1 ZINC001035271366 814873152 /nfs/dbraw/zinc/87/31/52/814873152.db2.gz UEEFTTLWVAJKJX-SECBINFHSA-N -1 0 307.310 -0.266 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@H]1CCCO1 ZINC001035280910 814875768 /nfs/dbraw/zinc/87/57/68/814875768.db2.gz CJAATSBPQFCZMC-NXEZZACHSA-N -1 0 311.342 -0.994 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ccc[nH]1 ZINC001035284595 814877042 /nfs/dbraw/zinc/87/70/42/814877042.db2.gz JVEBHFBHZDDGIW-SECBINFHSA-N -1 0 306.326 -0.531 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ccoc1 ZINC001035293075 814879225 /nfs/dbraw/zinc/87/92/25/814879225.db2.gz JBAXCKXYGZSMJF-JTQLQIEISA-N -1 0 307.310 -0.266 20 0 DBADRM Cn1cccc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035294265 814879530 /nfs/dbraw/zinc/87/95/30/814879530.db2.gz JHWDCNZTZRFICH-SNVBAGLBSA-N -1 0 320.353 -0.520 20 0 DBADRM Cc1ocnc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035301215 814882265 /nfs/dbraw/zinc/88/22/65/814882265.db2.gz CSCXUVAIFKWBGZ-SECBINFHSA-N -1 0 322.325 -0.562 20 0 DBADRM Cc1[nH]ccc1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035326741 814893858 /nfs/dbraw/zinc/89/38/58/814893858.db2.gz HNNQGCDCOSJUMN-JTQLQIEISA-N -1 0 320.353 -0.222 20 0 DBADRM Cc1[nH]ccc1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035326743 814893914 /nfs/dbraw/zinc/89/39/14/814893914.db2.gz HNNQGCDCOSJUMN-SNVBAGLBSA-N -1 0 320.353 -0.222 20 0 DBADRM CSCC(=O)NCC1(O)CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001041359029 815589870 /nfs/dbraw/zinc/58/98/70/815589870.db2.gz KRYLQVHVXLLROX-UHFFFAOYSA-N -1 0 314.367 -0.910 20 0 DBADRM O=C(c1cn[nH]n1)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041435504 815614181 /nfs/dbraw/zinc/61/41/81/815614181.db2.gz SEKWDVWLRNKPFD-CYBMUJFWSA-N -1 0 318.341 -0.633 20 0 DBADRM O=C(c1cn[nH]n1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001042131946 815837589 /nfs/dbraw/zinc/83/75/89/815837589.db2.gz ZRVMMWIYUOBGGX-SCZZXKLOSA-N -1 0 318.341 -0.635 20 0 DBADRM Cc1c(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001042479714 815925373 /nfs/dbraw/zinc/92/53/73/815925373.db2.gz JUZUYGYNSRVQBI-UHFFFAOYSA-N -1 0 305.342 -0.491 20 0 DBADRM C[C@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC001042498084 815930336 /nfs/dbraw/zinc/93/03/36/815930336.db2.gz AOHHMMRSOIGZMW-SECBINFHSA-N -1 0 305.342 -0.389 20 0 DBADRM CN(C(=O)CC1CCOCC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042557599 815950547 /nfs/dbraw/zinc/95/05/47/815950547.db2.gz HIGBBYNPHRVYNG-UHFFFAOYSA-N -1 0 309.370 -0.030 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001042580209 815958824 /nfs/dbraw/zinc/95/88/24/815958824.db2.gz MTDVRZMBWRVDNA-NXEZZACHSA-N -1 0 322.365 -0.227 20 0 DBADRM CN(C(=O)c1cc[nH]c(=O)c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042607200 815965216 /nfs/dbraw/zinc/96/52/16/815965216.db2.gz BCSMKXXYPTZBLB-UHFFFAOYSA-N -1 0 304.310 -0.433 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN([C@@H](C)c3nnnn3C)C2)c1[O-] ZINC001042619668 815969992 /nfs/dbraw/zinc/96/99/92/815969992.db2.gz HGPQROGDYZUYTQ-QMMMGPOBSA-N -1 0 320.357 -0.535 20 0 DBADRM CCn1ncc(CN2CC(N(C)C(=O)c3n[nH]c(C)c3[O-])C2)n1 ZINC001042619635 815970178 /nfs/dbraw/zinc/97/01/78/815970178.db2.gz GEGXQUGPXMGHGN-UHFFFAOYSA-N -1 0 319.369 -0.008 20 0 DBADRM CCn1nncc1CN1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001042620050 815970347 /nfs/dbraw/zinc/97/03/47/815970347.db2.gz SQYUPJKNPANCHT-UHFFFAOYSA-N -1 0 319.369 -0.008 20 0 DBADRM C[C@@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)n1cncn1 ZINC001042635925 815973598 /nfs/dbraw/zinc/97/35/98/815973598.db2.gz GUMZLBLEDMCTDI-QMMMGPOBSA-N -1 0 306.330 -0.994 20 0 DBADRM CCn1nccc1C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042652731 815981835 /nfs/dbraw/zinc/98/18/35/815981835.db2.gz RZRJPBDNMFZZOQ-UHFFFAOYSA-N -1 0 305.342 -0.317 20 0 DBADRM CN(C(=O)c1cn2c(n1)CCC2)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042743836 816014508 /nfs/dbraw/zinc/01/45/08/816014508.db2.gz IRAXEJXNVSXMBB-UHFFFAOYSA-N -1 0 317.353 -0.391 20 0 DBADRM CO[C@@H]1CN(c2ncccn2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001042794362 816025877 /nfs/dbraw/zinc/02/58/77/816025877.db2.gz CUKUEJPMMJLLME-NXEZZACHSA-N -1 0 318.337 -0.153 20 0 DBADRM CN(C(=O)c1cnn2c1CCC2)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042862625 816047925 /nfs/dbraw/zinc/04/79/25/816047925.db2.gz QYPRUPSYFYWFJB-UHFFFAOYSA-N -1 0 317.353 -0.391 20 0 DBADRM CN(C(=O)c1cc2n(n1)CCO2)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042936209 816069133 /nfs/dbraw/zinc/06/91/33/816069133.db2.gz GGMCOGZAUPNTSD-UHFFFAOYSA-N -1 0 319.325 -0.944 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042980837 816085968 /nfs/dbraw/zinc/08/59/68/816085968.db2.gz RQTGDYNJRCAJOW-NXEZZACHSA-N -1 0 317.353 -0.320 20 0 DBADRM CN(C(=O)C[C@@H]1CCN(C)C1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043011887 816093225 /nfs/dbraw/zinc/09/32/25/816093225.db2.gz OVHNPXJGUBIHIO-VIFPVBQESA-N -1 0 322.369 -0.979 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(Cc2nccs2)C1 ZINC001043231033 816149285 /nfs/dbraw/zinc/14/92/85/816149285.db2.gz NVWZHHLKLPNHMH-UHFFFAOYSA-N -1 0 322.350 -0.304 20 0 DBADRM Cc1cnc(CN2CC(N(C)C(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001043230878 816149312 /nfs/dbraw/zinc/14/93/12/816149312.db2.gz HENDPBPRZPTERN-UHFFFAOYSA-N -1 0 320.309 -0.464 20 0 DBADRM C[C@@H]1CC[C@H](CN2CC(N(C)C(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC001043230865 816149898 /nfs/dbraw/zinc/14/98/98/816149898.db2.gz GUFAZXVMVWHYJB-PSASIEDQSA-N -1 0 323.353 -0.394 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(Cc2csnn2)C1 ZINC001043230833 816149903 /nfs/dbraw/zinc/14/99/03/816149903.db2.gz FQCJCXQWUBFOBK-UHFFFAOYSA-N -1 0 323.338 -0.909 20 0 DBADRM CN(C(=O)[C@@]1(C)CCC(=O)NC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043599328 816231434 /nfs/dbraw/zinc/23/14/34/816231434.db2.gz MNBJHFXPYPBYCG-AWEZNQCLSA-N -1 0 322.369 -0.931 20 0 DBADRM Cc1ncc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n1C ZINC001043639279 816241397 /nfs/dbraw/zinc/24/13/97/816241397.db2.gz STDIZFSBHFIJEX-UHFFFAOYSA-N -1 0 305.342 -0.491 20 0 DBADRM CN(C(=O)[C@@H]1CCCCC(=O)N1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043835523 816284625 /nfs/dbraw/zinc/28/46/25/816284625.db2.gz WCFMXXJHGJZLJX-JTQLQIEISA-N -1 0 322.369 -0.788 20 0 DBADRM Cc1nc(C)c(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001043909769 816312384 /nfs/dbraw/zinc/31/23/84/816312384.db2.gz CAMRDXFZMFQWEZ-UHFFFAOYSA-N -1 0 305.342 -0.193 20 0 DBADRM CCc1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n(C)n1 ZINC001044087572 816353321 /nfs/dbraw/zinc/35/33/21/816353321.db2.gz XVQWLHVVEJIPAV-UHFFFAOYSA-N -1 0 319.369 -0.237 20 0 DBADRM C[C@H]1C[C@@H](C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)CCO1 ZINC001044097572 816356364 /nfs/dbraw/zinc/35/63/64/816356364.db2.gz KFPSZEONVZVRBF-UWVGGRQHSA-N -1 0 309.370 -0.032 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C/C=C\Cl)C1 ZINC001044236067 816389052 /nfs/dbraw/zinc/38/90/52/816389052.db2.gz IOMAUWDTEVUNAB-IHWYPQMZSA-N -1 0 301.734 -0.416 20 0 DBADRM COc1c(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)cnn1C ZINC001044235089 816389469 /nfs/dbraw/zinc/38/94/69/816389469.db2.gz OHGVHFWELIMKGM-UHFFFAOYSA-N -1 0 321.341 -0.791 20 0 DBADRM Cc1nccn1CC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044299404 816406978 /nfs/dbraw/zinc/40/69/78/816406978.db2.gz DINJTYWBWQOGNR-UHFFFAOYSA-N -1 0 305.342 -0.642 20 0 DBADRM CN(C(=O)C[C@@H]1CCCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044308848 816409379 /nfs/dbraw/zinc/40/93/79/816409379.db2.gz MZQHYWHMLNAVFO-JTQLQIEISA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C(=O)[C@H]1CC12CCOCC2)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001044380637 816429846 /nfs/dbraw/zinc/42/98/46/816429846.db2.gz YRINYTCNTAMGLL-LLVKDONJSA-N -1 0 321.381 -0.030 20 0 DBADRM C[C@H](C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnn(C)c1 ZINC001044399590 816435913 /nfs/dbraw/zinc/43/59/13/816435913.db2.gz VDFABQUINMGKJF-VIFPVBQESA-N -1 0 319.369 -0.310 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]2CNCc2cn(C)nn2)c1[O-] ZINC001044998563 816538045 /nfs/dbraw/zinc/53/80/45/816538045.db2.gz OLBMARWYXIIRLI-NSHDSACASA-N -1 0 319.369 -0.053 20 0 DBADRM Cc1nn[nH]c1C(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001045519489 816644133 /nfs/dbraw/zinc/64/41/33/816644133.db2.gz GDISCCTUNDLZPJ-UHFFFAOYSA-N -1 0 320.357 -0.279 20 0 DBADRM C[C@@]1(NC(=O)c2cc[n+]([O-])cc2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046125795 816762803 /nfs/dbraw/zinc/76/28/03/816762803.db2.gz WAERIJFWEZTBBF-CQSZACIVSA-N -1 0 318.337 -0.462 20 0 DBADRM C[C@]1(NC(=O)c2nccnc2N)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046202994 816779391 /nfs/dbraw/zinc/77/93/91/816779391.db2.gz AIGIJIRNUQFGHJ-ZDUSSCGKSA-N -1 0 318.341 -0.723 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN([C@@H]3CCN(C)C3=O)C2)c1[O-] ZINC001046240250 816791422 /nfs/dbraw/zinc/79/14/22/816791422.db2.gz QYPZDMUZTSKHPE-MEBBXXQBSA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(CC(=O)NC3CC3)C2)c1[O-] ZINC001046247070 816792283 /nfs/dbraw/zinc/79/22/83/816792283.db2.gz WFJWJWFHLZPELI-HNNXBMFYSA-N -1 0 321.381 -0.103 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN(Cc3nnn(C)n3)C2)c1[O-] ZINC001046246423 816792709 /nfs/dbraw/zinc/79/27/09/816792709.db2.gz JMSMYVPBNQMIKY-CYBMUJFWSA-N -1 0 320.357 -0.658 20 0 DBADRM C[C@]1(NC(=O)C2=CCOCC2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046263329 816798151 /nfs/dbraw/zinc/79/81/51/816798151.db2.gz FTIFFWWGKZWQDK-AWEZNQCLSA-N -1 0 307.354 -0.062 20 0 DBADRM CC(=O)N1CC(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001046272024 816799378 /nfs/dbraw/zinc/79/93/78/816799378.db2.gz WHXXSLJICDCXOG-AWEZNQCLSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@@]1(NC(=O)[C@H]2CCC(=O)NC2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046445631 816853006 /nfs/dbraw/zinc/85/30/06/816853006.db2.gz SPZZBHOOIZRCKE-LKFCYVNXSA-N -1 0 322.369 -0.883 20 0 DBADRM CN1CC[C@H](C(=O)N[C@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)C1=O ZINC001046559332 816886237 /nfs/dbraw/zinc/88/62/37/816886237.db2.gz YKOXUQDKBFHOAL-YMTOWFKASA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@]1(NC(=O)c2n[nH]cc2F)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046600288 816902802 /nfs/dbraw/zinc/90/28/02/816902802.db2.gz LSCYOKYCXFYACC-LBPRGKRZSA-N -1 0 309.305 -0.233 20 0 DBADRM C[C@]1(NC(=O)c2ccnnc2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046654513 816912513 /nfs/dbraw/zinc/91/25/13/816912513.db2.gz HSPMNFIYSVYWFS-ZDUSSCGKSA-N -1 0 303.326 -0.305 20 0 DBADRM CN(C(=O)c1ccoc1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047304753 817048453 /nfs/dbraw/zinc/04/84/53/817048453.db2.gz UFSHBMGYFJIWIM-UWVGGRQHSA-N -1 0 307.310 -0.579 20 0 DBADRM CN(C(=O)c1cccn1C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047304993 817048512 /nfs/dbraw/zinc/04/85/12/817048512.db2.gz GAHFWWUPYSTVNI-QWRGUYRKSA-N -1 0 320.353 -0.834 20 0 DBADRM CN(C(=O)c1ccn(C)c1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047346887 817078229 /nfs/dbraw/zinc/07/82/29/817078229.db2.gz FCIKLHPLHQYZRO-QWRGUYRKSA-N -1 0 320.353 -0.834 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2C[N@H+](CCCF)C[C@@H]2O)c1[O-] ZINC001047349270 817079269 /nfs/dbraw/zinc/07/92/69/817079269.db2.gz BDXRJQUEHIGOLX-UWVGGRQHSA-N -1 0 300.334 -0.100 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CN(Cc3ccon3)C[C@@H]2O)c1[O-] ZINC001047350940 817080992 /nfs/dbraw/zinc/08/09/92/817080992.db2.gz SOMLCMPYUVCAOX-QWRGUYRKSA-N -1 0 321.337 -0.271 20 0 DBADRM CN(C(=O)[C@@H]1CC1(F)F)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047375878 817096292 /nfs/dbraw/zinc/09/62/92/817096292.db2.gz KHBMNOZHHXBSPV-FXQIFTODSA-N -1 0 317.296 -0.831 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C1CC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047557924 817199811 /nfs/dbraw/zinc/19/98/11/817199811.db2.gz QJQPMPBFPXJJEI-USZNOCQGSA-N -1 0 321.381 -0.440 20 0 DBADRM CN(C(=O)Cc1ccco1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047572479 817208902 /nfs/dbraw/zinc/20/89/02/817208902.db2.gz NXGQFVAVMGDVGO-QWRGUYRKSA-N -1 0 321.337 -0.651 20 0 DBADRM O=C(C[C@@H]1CCCO1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048695789 817402643 /nfs/dbraw/zinc/40/26/43/817402643.db2.gz PAMSZUDWLFMDBF-TUAOUCFPSA-N -1 0 321.381 -0.030 20 0 DBADRM CC[C@H](OC)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048718324 817411066 /nfs/dbraw/zinc/41/10/66/817411066.db2.gz KNFKAWHFORLHGI-AXFHLTTASA-N -1 0 309.370 -0.175 20 0 DBADRM O=C(c1cnco1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048968306 817495343 /nfs/dbraw/zinc/49/53/43/817495343.db2.gz XNGHNLICAYKHSN-DTORHVGOSA-N -1 0 304.310 -0.298 20 0 DBADRM Cc1n[nH]nc1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048975707 817496843 /nfs/dbraw/zinc/49/68/43/817496843.db2.gz ZQKWCMYKYGQOLE-DTORHVGOSA-N -1 0 318.341 -0.859 20 0 DBADRM C[C@@]1(C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)CCOC1 ZINC001049133593 817540787 /nfs/dbraw/zinc/54/07/87/817540787.db2.gz LUDGHSGVWXDIJX-JRPNMDOOSA-N -1 0 321.381 -0.173 20 0 DBADRM O=C(c1cn[nH]n1)N1CCC[C@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001049571341 817611239 /nfs/dbraw/zinc/61/12/39/817611239.db2.gz RURKSCCRGXSTBI-UWVGGRQHSA-N -1 0 318.341 -0.493 20 0 DBADRM O=C(c1cnon1)N1CCC[C@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001049797844 817639239 /nfs/dbraw/zinc/63/92/39/817639239.db2.gz KPJRCVBIOKDOLX-UWVGGRQHSA-N -1 0 319.325 -0.228 20 0 DBADRM O=C(c1cnon1)N1CCC[C@@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001049797846 817639715 /nfs/dbraw/zinc/63/97/15/817639715.db2.gz KPJRCVBIOKDOLX-ZJUUUORDSA-N -1 0 319.325 -0.228 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)CC(N)=O)C2)c1[O-] ZINC001050473507 817720700 /nfs/dbraw/zinc/72/07/00/817720700.db2.gz DFJAZLIXUSIMHT-VXNVDRBHSA-N -1 0 323.353 -0.734 20 0 DBADRM CC(=O)NC[C@@H]1COCCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC001050776457 817755071 /nfs/dbraw/zinc/75/50/71/817755071.db2.gz KBAVTIJXBRPSTB-GFCCVEGCSA-N -1 0 305.338 -0.641 20 0 DBADRM Cn1cccc1C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001050819611 817766328 /nfs/dbraw/zinc/76/63/28/817766328.db2.gz VMYISUTWRGXLLC-JTQLQIEISA-N -1 0 320.353 -0.520 20 0 DBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001050863024 817779574 /nfs/dbraw/zinc/77/95/74/817779574.db2.gz ZQJLHPRSCJSADL-MEWQQHAOSA-N -1 0 321.381 -0.127 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2COCCN2C[C@H]2CCOC2)c1[O-] ZINC001050866631 817780961 /nfs/dbraw/zinc/78/09/61/817780961.db2.gz YWBPTDBZJRXJGQ-VXGBXAGGSA-N -1 0 324.381 -0.109 20 0 DBADRM Cc1c[nH]nc1C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001050906004 817790368 /nfs/dbraw/zinc/79/03/68/817790368.db2.gz KFXLOEZLNNSGEE-SECBINFHSA-N -1 0 321.341 -0.827 20 0 DBADRM Cc1nocc1C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001051095489 817845833 /nfs/dbraw/zinc/84/58/33/817845833.db2.gz XGTSOGBTAAYKRO-SECBINFHSA-N -1 0 322.325 -0.562 20 0 DBADRM O=C(NC[C@H]1COCCN1CCF)c1c[n-]n2c1nccc2=O ZINC001051153398 817857988 /nfs/dbraw/zinc/85/79/88/817857988.db2.gz OPNQEJHDADWENG-JTQLQIEISA-N -1 0 323.328 -0.577 20 0 DBADRM CCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001051322606 817898949 /nfs/dbraw/zinc/89/89/49/817898949.db2.gz GEVSVAWGVPQUIA-VHSXEESVSA-N -1 0 322.365 -0.137 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(c3ncccn3)C[C@H]2O)c1[O-] ZINC001051670035 817993752 /nfs/dbraw/zinc/99/37/52/817993752.db2.gz SWSUTKBCRAWFRP-VHSXEESVSA-N -1 0 318.337 -0.417 20 0 DBADRM CCCN1CC2(C1)C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)CO2 ZINC001053993594 818064645 /nfs/dbraw/zinc/06/46/45/818064645.db2.gz PPLKFZKHBXMMIJ-SECBINFHSA-N -1 0 311.342 -0.941 20 0 DBADRM COCC(=O)N1CCC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001054060516 818078012 /nfs/dbraw/zinc/07/80/12/818078012.db2.gz AENCCIYMIDKTCU-AWEZNQCLSA-N -1 0 309.370 -0.029 20 0 DBADRM NC(=O)CC(=O)N1CCC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001054107301 818082089 /nfs/dbraw/zinc/08/20/89/818082089.db2.gz ZAPZDFLWIQINCL-CQSZACIVSA-N -1 0 322.369 -0.800 20 0 DBADRM COCCC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]2C1 ZINC001055117073 818216807 /nfs/dbraw/zinc/21/68/07/818216807.db2.gz ZSQPUNWGSMEKDU-PHIMTYICSA-N -1 0 322.365 -0.009 20 0 DBADRM Cc1cc(N2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)ncn1 ZINC001055869879 818323274 /nfs/dbraw/zinc/32/32/74/818323274.db2.gz MKDDUBLPZITVQA-UHFFFAOYSA-N -1 0 319.325 -0.863 20 0 DBADRM Cc1nsc(N2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)n1 ZINC001056082216 818366038 /nfs/dbraw/zinc/36/60/38/818366038.db2.gz SUSSUFQAYBLRHK-UHFFFAOYSA-N -1 0 323.338 -0.595 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](Nc2nccnc2F)C1 ZINC001056678205 818434393 /nfs/dbraw/zinc/43/43/93/818434393.db2.gz MLSPAEAVRZFHDV-SSDOTTSWSA-N -1 0 323.288 -0.669 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)C(F)F)c1[O-] ZINC001056745800 818452752 /nfs/dbraw/zinc/45/27/52/818452752.db2.gz XDLHWGMVSSILTC-UHFFFAOYSA-N -1 0 306.269 -0.760 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)CC2CC2)c1[O-] ZINC001056778980 818469213 /nfs/dbraw/zinc/46/92/13/818469213.db2.gz LNDBFENFJJPDFC-UHFFFAOYSA-N -1 0 310.354 -0.225 20 0 DBADRM Cc1ccc(N[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1 ZINC001056823561 818491976 /nfs/dbraw/zinc/49/19/76/818491976.db2.gz PQMQHHRIDUBIMA-MRVPVSSYSA-N -1 0 317.309 -0.292 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC001056823824 818492075 /nfs/dbraw/zinc/49/20/75/818492075.db2.gz YBYSITDCROPKJZ-SSDOTTSWSA-N -1 0 303.282 -0.601 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)c2cocn2)c1[O-] ZINC001057353710 818696450 /nfs/dbraw/zinc/69/64/50/818696450.db2.gz CRUUZEPGTMYZHD-UHFFFAOYSA-N -1 0 323.309 -0.724 20 0 DBADRM CO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057354404 818697430 /nfs/dbraw/zinc/69/74/30/818697430.db2.gz WFVQEBWDIQAFKJ-VIFPVBQESA-N -1 0 314.342 -0.991 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(Nc2ncccn2)CC1 ZINC001057456345 818724600 /nfs/dbraw/zinc/72/46/00/818724600.db2.gz NXWSSYPHXCCXFD-UHFFFAOYSA-N -1 0 317.309 -0.211 20 0 DBADRM CCC(=O)N1CC[C@H](CCNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001058952012 819089183 /nfs/dbraw/zinc/08/91/83/819089183.db2.gz HALUUZBRWBRDMI-VIFPVBQESA-N -1 0 311.342 -0.546 20 0 DBADRM O=C(NCC[C@@H]1CCN(C(=O)C2CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001058988210 819095710 /nfs/dbraw/zinc/09/57/10/819095710.db2.gz YMGKCVHIBHXCJP-MRVPVSSYSA-N -1 0 321.337 -0.339 20 0 DBADRM Cc1cc(N[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)ncn1 ZINC001059468330 819146880 /nfs/dbraw/zinc/14/68/80/819146880.db2.gz HERBXPKVUAHXJH-ZKCHVHJHSA-N -1 0 317.309 -0.246 20 0 DBADRM Cc1ccc(N[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1 ZINC001059468294 819146946 /nfs/dbraw/zinc/14/69/46/819146946.db2.gz FWLMOOOJHPJUHK-ZKCHVHJHSA-N -1 0 317.309 -0.246 20 0 DBADRM O=C(N[C@H]1C[C@@H](Nc2ncc(F)cn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001059882454 819183386 /nfs/dbraw/zinc/18/33/86/819183386.db2.gz MLUHVVCXUIIYNH-KNVOCYPGSA-N -1 0 321.272 -0.415 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCOC[C@@H]2CNC(=O)C(F)F)c1[O-] ZINC001061151330 819250189 /nfs/dbraw/zinc/25/01/89/819250189.db2.gz ZCMLEQKWZBRDJC-ZETCQYMHSA-N -1 0 318.280 -0.354 20 0 DBADRM CC(=O)NCC1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCC1 ZINC001062369740 819474254 /nfs/dbraw/zinc/47/42/54/819474254.db2.gz ASMONFOMWAFEQY-UHFFFAOYSA-N -1 0 318.337 -0.754 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@@H]1CNc1ncccn1 ZINC001063583233 819616626 /nfs/dbraw/zinc/61/66/26/819616626.db2.gz FFAXYSQEUHWLPP-MRVPVSSYSA-N -1 0 317.309 -0.211 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001063788397 819638764 /nfs/dbraw/zinc/63/87/64/819638764.db2.gz KWGPMKIKOIEQCE-HTQZYQBOSA-N -1 0 321.337 -0.293 20 0 DBADRM CCC(=O)NC1(CNC(=O)c2cnc([O-])n(C)c2=O)CCC1 ZINC001063888191 819643577 /nfs/dbraw/zinc/64/35/77/819643577.db2.gz YXXIHGDSNMMRRD-UHFFFAOYSA-N -1 0 308.338 -0.335 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3cnon3)CCC2)c1[O-] ZINC001064166176 819666321 /nfs/dbraw/zinc/66/63/21/819666321.db2.gz BKSZRXIGSGHILT-UHFFFAOYSA-N -1 0 320.309 -0.111 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H]1CNc1ncccn1 ZINC001064936058 819778290 /nfs/dbraw/zinc/77/82/90/819778290.db2.gz HCVCENLBPQFNBB-VIFPVBQESA-N -1 0 319.325 -0.418 20 0 DBADRM COCC(=O)NC[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])CCO1 ZINC001065048848 819807387 /nfs/dbraw/zinc/80/73/87/819807387.db2.gz SOEZMGPOWYCXCX-VIFPVBQESA-N -1 0 312.326 -0.973 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)CCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001066704749 820036759 /nfs/dbraw/zinc/03/67/59/820036759.db2.gz RAVLSMPWYWAYAM-IUCAKERBSA-N -1 0 323.353 -0.141 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1Nc1ncccn1 ZINC001067128140 820074375 /nfs/dbraw/zinc/07/43/75/820074375.db2.gz YESOXLLDHHKUDN-BDAKNGLRSA-N -1 0 319.325 -0.562 20 0 DBADRM C[C@H]1[C@H](Nc2ncccn2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001068979635 820274033 /nfs/dbraw/zinc/27/40/33/820274033.db2.gz IQIHRHFBTLKGAF-JGVFFNPUSA-N -1 0 317.309 -0.212 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC(Nc2ncccn2)C1 ZINC001069804693 820308100 /nfs/dbraw/zinc/30/81/00/820308100.db2.gz KFUBXCIZIIRMGN-UHFFFAOYSA-N -1 0 317.309 -0.212 20 0 DBADRM CC(C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001069898761 820330315 /nfs/dbraw/zinc/33/03/15/820330315.db2.gz YCRQAUKLOSHVAZ-ZJUUUORDSA-N -1 0 320.357 -0.701 20 0 DBADRM CC[N@@H+]1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)c2nnc[n-]2)[n-]1 ZINC001070734963 820537896 /nfs/dbraw/zinc/53/78/96/820537896.db2.gz STISZJGCOONLBZ-JGVFFNPUSA-N -1 0 308.321 -0.042 20 0 DBADRM CC(C)C(=O)N1CCC(=O)NCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001070940390 820570921 /nfs/dbraw/zinc/57/09/21/820570921.db2.gz CYWRUCRHYRHRNN-UHFFFAOYSA-N -1 0 324.385 -0.683 20 0 DBADRM CC(C)=CC(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001071033440 820611769 /nfs/dbraw/zinc/61/17/69/820611769.db2.gz FBIAXGKWZKBJFS-SECBINFHSA-N -1 0 321.337 -0.030 20 0 DBADRM C[C@@H]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CN1Cc1n[nH]c(=O)[n-]1 ZINC001071747332 820767734 /nfs/dbraw/zinc/76/77/34/820767734.db2.gz BREMKFLRQIXMTO-OQEOFVATSA-N -1 0 321.381 -0.128 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CN1CCF ZINC001072026358 820848390 /nfs/dbraw/zinc/84/83/90/820848390.db2.gz HLMYEMVJTFGYEA-RKDXNWHRSA-N -1 0 301.322 -0.372 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)Cn2ccnc2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001072122089 820870829 /nfs/dbraw/zinc/87/08/29/820870829.db2.gz FNFMZKBZQKKZBO-QWRGUYRKSA-N -1 0 319.369 -0.124 20 0 DBADRM O=C([C@H]1CCCO1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072445346 820919699 /nfs/dbraw/zinc/91/96/99/820919699.db2.gz KBXKLEOBTYIPKK-SNVBAGLBSA-N -1 0 307.354 -0.276 20 0 DBADRM Cn1cc(C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)cn1 ZINC001072451908 820921646 /nfs/dbraw/zinc/92/16/46/820921646.db2.gz UVLVQDLFDBOWRP-UHFFFAOYSA-N -1 0 317.353 -0.408 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001072482877 820928841 /nfs/dbraw/zinc/92/88/41/820928841.db2.gz AHFHCUXOAUYQMM-QPGUZKIZSA-N -1 0 323.353 -0.381 20 0 DBADRM CC(C)=CC(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001072483231 820929343 /nfs/dbraw/zinc/92/93/43/820929343.db2.gz FOHAJFYZPNPLIU-NXEZZACHSA-N -1 0 323.353 -0.381 20 0 DBADRM CCO[C@H]1C[C@H]1C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072506824 820935652 /nfs/dbraw/zinc/93/56/52/820935652.db2.gz ZXGZZIJVBPAFMG-MNOVXSKESA-N -1 0 321.381 -0.030 20 0 DBADRM O=C(c1cnsn1)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072509127 820936936 /nfs/dbraw/zinc/93/69/36/820936936.db2.gz PWYYRERSKSWESH-UHFFFAOYSA-N -1 0 321.366 -0.290 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC3(C2)CCN([C@@H](C)C(N)=O)C3)c1[O-] ZINC001072625382 820969487 /nfs/dbraw/zinc/96/94/87/820969487.db2.gz INENCYOWCYSERR-VIFPVBQESA-N -1 0 307.354 -0.555 20 0 DBADRM CO[C@H](C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2)C1CC1 ZINC001072686874 820989191 /nfs/dbraw/zinc/98/91/91/820989191.db2.gz YWSAUITVINFRAT-LBPRGKRZSA-N -1 0 321.381 -0.030 20 0 DBADRM C[C@H]1C[C@@H](C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)CO1 ZINC001072872148 821036749 /nfs/dbraw/zinc/03/67/49/821036749.db2.gz TZXZYANQAMKXEW-WDEREUQCSA-N -1 0 321.381 -0.030 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC(C)(NC(=O)C(N)=O)CC2)c1[O-] ZINC001072951156 821058552 /nfs/dbraw/zinc/05/85/52/821058552.db2.gz VKTVFZOBFRJGEH-UHFFFAOYSA-N -1 0 309.326 -0.980 20 0 DBADRM C[C@]1(C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)CCOC1 ZINC001073082398 821085210 /nfs/dbraw/zinc/08/52/10/821085210.db2.gz SEFRCSQRMIXAMA-AWEZNQCLSA-N -1 0 321.381 -0.029 20 0 DBADRM C[C@@]1(C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)CCOC1 ZINC001073082399 821085383 /nfs/dbraw/zinc/08/53/83/821085383.db2.gz SEFRCSQRMIXAMA-CQSZACIVSA-N -1 0 321.381 -0.029 20 0 DBADRM C[C@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001073081168 821086598 /nfs/dbraw/zinc/08/65/98/821086598.db2.gz XHIADOBRDRXUEY-GHMZBOCLSA-N -1 0 321.381 -0.030 20 0 DBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1cc[nH]c1 ZINC001073618031 821184108 /nfs/dbraw/zinc/18/41/08/821184108.db2.gz SAGCEBMTXKLQBC-LLVKDONJSA-N -1 0 320.353 -0.141 20 0 DBADRM COCCN1CCO[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001074218774 821310050 /nfs/dbraw/zinc/31/00/50/821310050.db2.gz DXCXXEYOSVJKPI-VXGBXAGGSA-N -1 0 324.381 -0.015 20 0 DBADRM CCCN1CCO[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC001074286338 821327978 /nfs/dbraw/zinc/32/79/78/821327978.db2.gz NCBSNJTVROAUIC-UWVGGRQHSA-N -1 0 323.353 -0.392 20 0 DBADRM CN(CCCN(C)c1ncccn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001112198537 828337764 /nfs/dbraw/zinc/33/77/64/828337764.db2.gz AJDYWUWBAUSPFR-UHFFFAOYSA-N -1 0 319.325 -0.329 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)CC(N)=O)C[C@H]2C)c1[O-] ZINC001074909902 821460071 /nfs/dbraw/zinc/46/00/71/821460071.db2.gz RMCMNEXKBSJERB-VXNVDRBHSA-N -1 0 323.353 -0.592 20 0 DBADRM CCCC(=O)NCC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001075401041 821514311 /nfs/dbraw/zinc/51/43/11/821514311.db2.gz RRYHCQLXFIZISB-VIFPVBQESA-N -1 0 310.354 -0.089 20 0 DBADRM O=C([C@@H]1CCOC1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075601873 821554338 /nfs/dbraw/zinc/55/43/38/821554338.db2.gz ZBLLBDMRICISHH-HBNTYKKESA-N -1 0 307.354 -0.421 20 0 DBADRM CC[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001075665811 821567021 /nfs/dbraw/zinc/56/70/21/821567021.db2.gz NMHCYECWHMAHCN-SFYZADRCSA-N -1 0 311.342 -0.047 20 0 DBADRM Cc1c[nH]c(C(=O)N2CC[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)n1 ZINC001076342225 821724287 /nfs/dbraw/zinc/72/42/87/821724287.db2.gz AVKXVJVRWNWIDA-VHSXEESVSA-N -1 0 317.353 -0.112 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)c2ncn(C)n2)c1[O-] ZINC001076373955 821736030 /nfs/dbraw/zinc/73/60/30/821736030.db2.gz QNYLJCXUCRPOKJ-ZETCQYMHSA-N -1 0 321.341 -0.509 20 0 DBADRM Cc1nc[nH]c1C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076643713 821790497 /nfs/dbraw/zinc/79/04/97/821790497.db2.gz MCTQILQBUDKWPN-VHSXEESVSA-N -1 0 317.353 -0.112 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CCCCC1 ZINC001076693764 821809244 /nfs/dbraw/zinc/80/92/44/821809244.db2.gz DKEGQGOKXOEQSR-GHMZBOCLSA-N -1 0 309.370 -0.248 20 0 DBADRM CC(C)C(=O)N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1O ZINC001076755920 821838282 /nfs/dbraw/zinc/83/82/82/821838282.db2.gz XWUGAQHYKZQFLA-VXGBXAGGSA-N -1 0 319.365 -0.660 20 0 DBADRM Cc1ncsc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076771147 821846344 /nfs/dbraw/zinc/84/63/44/821846344.db2.gz ZCJQHFNWCKBVLX-HTQZYQBOSA-N -1 0 324.366 -0.750 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C/C=C\Cl)C[C@H]2O)c1[O-] ZINC001076882639 821902042 /nfs/dbraw/zinc/90/20/42/821902042.db2.gz KDXGMRSZRCXCSK-BNEREYBLSA-N -1 0 300.746 -0.049 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@H]1C[C@@H]1C(F)F ZINC001076952657 821938411 /nfs/dbraw/zinc/93/84/11/821938411.db2.gz QWSJATGOHBVHEL-RULNZFCNSA-N -1 0 317.296 -0.927 20 0 DBADRM CC1(C)CC(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)C1 ZINC001076955582 821940109 /nfs/dbraw/zinc/94/01/09/821940109.db2.gz LCSAOUWLORHJKZ-NXEZZACHSA-N -1 0 309.370 -0.392 20 0 DBADRM Cc1sccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076975020 821953712 /nfs/dbraw/zinc/95/37/12/821953712.db2.gz RXOZAAQATKWDAB-NXEZZACHSA-N -1 0 323.378 -0.145 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077576943 822159173 /nfs/dbraw/zinc/15/91/73/822159173.db2.gz JQJKWWYBGQIUQR-SFYZADRCSA-N -1 0 311.342 -0.047 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077578004 822159349 /nfs/dbraw/zinc/15/93/49/822159349.db2.gz IDSBNNCTHOQBCM-NZGHECTNSA-N -1 0 309.326 -0.126 20 0 DBADRM CC1(C)CC[C@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)C1 ZINC001077641106 822176717 /nfs/dbraw/zinc/17/67/17/822176717.db2.gz YKICUAXXYCYGJE-HBNTYKKESA-N -1 0 323.397 -0.002 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C1CCC1 ZINC001077679931 822186412 /nfs/dbraw/zinc/18/64/12/822186412.db2.gz JYRKKJZWCFIIFI-QMMMGPOBSA-N -1 0 311.342 -0.500 20 0 DBADRM C/C=C(/C)C(=O)N[C@@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077680131 822186479 /nfs/dbraw/zinc/18/64/79/822186479.db2.gz SGESNMZRXWCPIM-OTOXVQDCSA-N -1 0 311.342 -0.334 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1ccoc1 ZINC001077679901 822187064 /nfs/dbraw/zinc/18/70/64/822187064.db2.gz IVZJZQYZEWRKFZ-QMMMGPOBSA-N -1 0 323.309 -0.393 20 0 DBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1C[C@H]1C ZINC001077681168 822188701 /nfs/dbraw/zinc/18/87/01/822188701.db2.gz MWKZJZUJYWRTCU-HRDYMLBCSA-N -1 0 311.342 -0.644 20 0 DBADRM CC(C)(CCCO)CNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001117473898 828983289 /nfs/dbraw/zinc/98/32/89/828983289.db2.gz DCDKSCPROMJISW-NSHDSACASA-N -1 0 302.371 -0.014 20 0 DBADRM O=C(Cc1ccco1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077874168 822256990 /nfs/dbraw/zinc/25/69/90/822256990.db2.gz RRECXARUQDCAED-NXEZZACHSA-N -1 0 307.310 -0.993 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cc1 ZINC001078064405 822335603 /nfs/dbraw/zinc/33/56/03/822335603.db2.gz IVLFBQAXDRPANC-VXGBXAGGSA-N -1 0 317.349 -0.206 20 0 DBADRM C[C@@H](O)CCCN1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001113181705 828465574 /nfs/dbraw/zinc/46/55/74/828465574.db2.gz CGMDAHXMPLJFAI-LLVKDONJSA-N -1 0 324.381 -0.595 20 0 DBADRM C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H](C)Nc1ncccn1 ZINC001113249646 828473778 /nfs/dbraw/zinc/47/37/78/828473778.db2.gz WLJAHXSCIJOGJT-IUCAKERBSA-N -1 0 318.337 -0.105 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)Nc1nccnc1F ZINC001113365208 828488975 /nfs/dbraw/zinc/48/89/75/828488975.db2.gz ZYVLJAVELOAQRY-NTSWFWBYSA-N -1 0 323.288 -0.169 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)Cn2cncn2)c1[O-] ZINC001078570186 823803928 /nfs/dbraw/zinc/80/39/28/823803928.db2.gz ANLVXDVKZFAERA-QMMMGPOBSA-N -1 0 321.341 -0.660 20 0 DBADRM C[C@@H](CCNC(=O)[C@H]1CC12CC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001078724260 823824220 /nfs/dbraw/zinc/82/42/20/823824220.db2.gz WJDZQEDHDMKLHS-DTWKUNHWSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H]1CC12CC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001078724261 823824615 /nfs/dbraw/zinc/82/46/15/823824615.db2.gz WJDZQEDHDMKLHS-IUCAKERBSA-N -1 0 323.353 -0.500 20 0 DBADRM CCN(C(=O)CNC(C)=O)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001079226664 823853907 /nfs/dbraw/zinc/85/39/07/823853907.db2.gz KMSJWKNZRPKOKW-UHFFFAOYSA-N -1 0 323.353 -0.767 20 0 DBADRM CCN(C(=O)C=C(C)C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001079256584 823858142 /nfs/dbraw/zinc/85/81/42/823858142.db2.gz WBFVMAOKXOEABZ-UHFFFAOYSA-N -1 0 321.337 -0.078 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cc[n+]([O-])cc1 ZINC001079388972 823877117 /nfs/dbraw/zinc/87/71/17/823877117.db2.gz ZGSPPUNDKTWAIS-MWLCHTKSSA-N -1 0 318.337 -0.606 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CN1CCCC1=O ZINC001079403779 823882479 /nfs/dbraw/zinc/88/24/79/823882479.db2.gz USTWBPVCOSIVDA-NXEZZACHSA-N -1 0 322.369 -0.931 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cn1cccn1 ZINC001079424841 823885940 /nfs/dbraw/zinc/88/59/40/823885940.db2.gz OTQMWXNRVMMJAY-NXEZZACHSA-N -1 0 305.342 -0.657 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1ccon1 ZINC001079510959 823903817 /nfs/dbraw/zinc/90/38/17/823903817.db2.gz SNMWWGWOCQHFPM-PSASIEDQSA-N -1 0 306.326 -0.323 20 0 DBADRM CCN(C(=O)CC(N)=O)C1CN(C(=O)c2ccccc2O)C1 ZINC001079536134 823912093 /nfs/dbraw/zinc/91/20/93/823912093.db2.gz WLQBWSUBPRBYRY-UHFFFAOYSA-N -1 0 305.334 -0.060 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cncnc1 ZINC001079608315 823924015 /nfs/dbraw/zinc/92/40/15/823924015.db2.gz GPGATLVJWGHDKA-PSASIEDQSA-N -1 0 303.326 -0.449 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1=CCOCC1 ZINC001079612175 823924127 /nfs/dbraw/zinc/92/41/27/823924127.db2.gz BTOZLFAAFQXNSO-MWLCHTKSSA-N -1 0 307.354 -0.207 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ncccc1O ZINC001079611156 823924227 /nfs/dbraw/zinc/92/42/27/823924227.db2.gz QJFHCSSOOINJSF-RKDXNWHRSA-N -1 0 318.337 -0.139 20 0 DBADRM C[C@@H]1CN(Cc2ccon2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001080049975 823997217 /nfs/dbraw/zinc/99/72/17/823997217.db2.gz SIJRQYMLFCRVHR-VXNVDRBHSA-N -1 0 320.309 -0.479 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)c1cnc(F)cn1 ZINC001113967725 828597439 /nfs/dbraw/zinc/59/74/39/828597439.db2.gz KMMNYNAVBZUHPA-ZCFIWIBFSA-N -1 0 323.288 -0.533 20 0 DBADRM Cc1ccc(N(C)[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001113967432 828597671 /nfs/dbraw/zinc/59/76/71/828597671.db2.gz DPFVAECAGPXCNB-MRVPVSSYSA-N -1 0 319.325 -0.364 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)C(C)C)C1 ZINC001080201176 824011787 /nfs/dbraw/zinc/01/17/87/824011787.db2.gz TXMPZOPJQLOSFA-UHFFFAOYSA-N -1 0 311.342 -0.595 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001080245966 824017553 /nfs/dbraw/zinc/01/75/53/824017553.db2.gz MTSPWXUKMVTCAY-HTRCEHHLSA-N -1 0 306.330 -0.813 20 0 DBADRM Cc1ccn(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)n1 ZINC001080468756 824050858 /nfs/dbraw/zinc/05/08/58/824050858.db2.gz ZLESSLIITUHXDI-MWLCHTKSSA-N -1 0 319.369 -0.348 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccnnc1 ZINC001080502373 824053537 /nfs/dbraw/zinc/05/35/37/824053537.db2.gz ZKKCPWWDHPUWHH-PSASIEDQSA-N -1 0 303.326 -0.449 20 0 DBADRM Cc1ccnn1CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001080534086 824054936 /nfs/dbraw/zinc/05/49/36/824054936.db2.gz HTJONWHQOPHQFC-MWLCHTKSSA-N -1 0 319.369 -0.348 20 0 DBADRM CCC(=O)N1CCC(CO)(NC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001080817323 824097407 /nfs/dbraw/zinc/09/74/07/824097407.db2.gz OXENFNBMKKQZCQ-UHFFFAOYSA-N -1 0 310.354 -0.083 20 0 DBADRM C[C@@H]1CN(Cc2ccon2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001080853960 824101564 /nfs/dbraw/zinc/10/15/64/824101564.db2.gz XRZIKTVEXWADNB-PSASIEDQSA-N -1 0 322.325 -0.686 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C(C)C)C2)c1[O-] ZINC001081273397 824185615 /nfs/dbraw/zinc/18/56/15/824185615.db2.gz MXIFQBHTFFTINJ-ZJUUUORDSA-N -1 0 310.354 -0.371 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccon1 ZINC001081406837 824238847 /nfs/dbraw/zinc/23/88/47/824238847.db2.gz XUFUFEJWMFQZNY-RKDXNWHRSA-N -1 0 308.298 -0.873 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cncs1 ZINC001081412330 824240131 /nfs/dbraw/zinc/24/01/31/824240131.db2.gz VALZNYXVBYKJBI-HTQZYQBOSA-N -1 0 324.366 -0.404 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1CC(C)C1 ZINC001081515076 824280521 /nfs/dbraw/zinc/28/05/21/824280521.db2.gz CQTWMHFMQLTVBN-JPPWEJMLSA-N -1 0 309.370 -0.128 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1=CCCC1 ZINC001081529497 824284431 /nfs/dbraw/zinc/28/44/31/824284431.db2.gz BUOSLWFNTCZOCG-GHMZBOCLSA-N -1 0 307.354 -0.064 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](CNC(=O)C3(C)CC3)C2)c1[O-] ZINC001081541869 824289242 /nfs/dbraw/zinc/28/92/42/824289242.db2.gz LXPWNQUFXQKPTR-UWVGGRQHSA-N -1 0 322.365 -0.227 20 0 DBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1CC1(F)F ZINC001081638175 824319349 /nfs/dbraw/zinc/31/93/49/824319349.db2.gz MPCKXAZMCCUJDY-XLPZGREQSA-N -1 0 317.296 -0.519 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCC(F)(F)CC1 ZINC001119178803 829231542 /nfs/dbraw/zinc/23/15/42/829231542.db2.gz AJIFYBWZBIGMIF-UHFFFAOYSA-N -1 0 307.297 -0.182 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001082151401 824404035 /nfs/dbraw/zinc/40/40/35/824404035.db2.gz RWMSHJSBFDNYOM-GWOFURMSSA-N -1 0 309.370 -0.128 20 0 DBADRM CCC(=O)NC[C@@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001082188056 824407156 /nfs/dbraw/zinc/40/71/56/824407156.db2.gz JMVWUFULEJUFOM-QMMMGPOBSA-N -1 0 309.326 -0.196 20 0 DBADRM Cc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)s1 ZINC001083313559 824538533 /nfs/dbraw/zinc/53/85/33/824538533.db2.gz PQFSMXNPZXHMTO-BDAKNGLRSA-N -1 0 323.378 -0.145 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccncc1F ZINC001083382993 824591813 /nfs/dbraw/zinc/59/18/13/824591813.db2.gz IWQSSMUDTFZCEU-ZJUUUORDSA-N -1 0 322.300 -0.981 20 0 DBADRM Cc1ccncc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083383336 824592238 /nfs/dbraw/zinc/59/22/38/824592238.db2.gz AKSJIGJVEBYYEV-MNOVXSKESA-N -1 0 318.337 -0.811 20 0 DBADRM Cc1noc(CN2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)n1 ZINC001083409718 824606274 /nfs/dbraw/zinc/60/62/74/824606274.db2.gz FUPXSIQLQGBYJW-BDAKNGLRSA-N -1 0 322.325 -0.910 20 0 DBADRM Cc1nscc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083417730 824610646 /nfs/dbraw/zinc/61/06/46/824610646.db2.gz AMWSXALIWLPKPP-BDAKNGLRSA-N -1 0 324.366 -0.750 20 0 DBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1(F)CCCC1 ZINC001083588241 824685387 /nfs/dbraw/zinc/68/53/87/824685387.db2.gz BAMSSGIDRAYZMY-BDAKNGLRSA-N -1 0 313.333 -0.546 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccco1 ZINC001083773578 824767804 /nfs/dbraw/zinc/76/78/04/824767804.db2.gz SXIUEKURSVYCSI-BBBLOLIVSA-N -1 0 321.337 -0.432 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H](C)CSC)C1 ZINC001119393344 829257136 /nfs/dbraw/zinc/25/71/36/829257136.db2.gz WYVAQKDQQZSSGI-ZANVPECISA-N -1 0 318.395 -0.196 20 0 DBADRM O=C(Cn1cccn1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084188754 824905689 /nfs/dbraw/zinc/90/56/89/824905689.db2.gz SCQSPFBPGLLEDP-GHMZBOCLSA-N -1 0 317.353 -0.560 20 0 DBADRM O=C(c1ccon1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084210879 824908602 /nfs/dbraw/zinc/90/86/02/824908602.db2.gz AVURKIAFXJAVPW-PSASIEDQSA-N -1 0 304.310 -0.155 20 0 DBADRM CC[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001084282964 824919470 /nfs/dbraw/zinc/91/94/70/824919470.db2.gz NIFKVPKWAOMRTG-GMTAPVOTSA-N -1 0 321.381 -0.166 20 0 DBADRM CO[C@@H](C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C1CC1 ZINC001084316147 824922776 /nfs/dbraw/zinc/92/27/76/824922776.db2.gz UOMGFCAPAKCOAZ-NQBHXWOUSA-N -1 0 321.381 -0.032 20 0 DBADRM Cc1cnc(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001085468693 825019449 /nfs/dbraw/zinc/01/94/49/825019449.db2.gz YQENBNMGAQFKLP-JTQLQIEISA-N -1 0 317.353 -0.045 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)C1=COCCO1 ZINC001085469547 825019493 /nfs/dbraw/zinc/01/94/93/825019493.db2.gz STAACESRXYVAAJ-SECBINFHSA-N -1 0 309.326 -0.569 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001085505542 825028714 /nfs/dbraw/zinc/02/87/14/825028714.db2.gz YYTBFCFXBRFCHD-JTQLQIEISA-N -1 0 319.369 -0.101 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCCOC1 ZINC001085514557 825030692 /nfs/dbraw/zinc/03/06/92/825030692.db2.gz LNLVUXUNXRLLJE-WDEREUQCSA-N -1 0 309.370 -0.030 20 0 DBADRM Cc1nc(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)c[nH]1 ZINC001085520077 825033498 /nfs/dbraw/zinc/03/34/98/825033498.db2.gz DRCVPZQZURELKX-VIFPVBQESA-N -1 0 305.342 -0.112 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2[C@@H]2CCN(C)C2=O)c1[O-] ZINC001085543649 825039017 /nfs/dbraw/zinc/03/90/17/825039017.db2.gz BTFBXFIETGUEET-WDEREUQCSA-N -1 0 321.381 -0.199 20 0 DBADRM CCC[C@H](OC)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001114671742 828725766 /nfs/dbraw/zinc/72/57/66/828725766.db2.gz IZPBARNKJTXBJH-MIZYBKAJSA-N -1 0 309.370 -0.128 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2[C@H]2CCCNC2=O)c1[O-] ZINC001085549838 825042274 /nfs/dbraw/zinc/04/22/74/825042274.db2.gz FHYJAGPIPOINRJ-QWRGUYRKSA-N -1 0 321.381 -0.151 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2Cc2nnn(C)n2)c1[O-] ZINC001085550105 825042340 /nfs/dbraw/zinc/04/23/40/825042340.db2.gz LIYCHAWCUJBWRQ-VIFPVBQESA-N -1 0 320.357 -0.706 20 0 DBADRM Cc1cc(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)cnn1 ZINC001085567126 825045680 /nfs/dbraw/zinc/04/56/80/825045680.db2.gz ZXTBCJFHTKUMQO-LLVKDONJSA-N -1 0 317.353 -0.045 20 0 DBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCCC(=O)N1 ZINC001085660128 825076056 /nfs/dbraw/zinc/07/60/56/825076056.db2.gz NXFCDGMMYMQCSV-NXEZZACHSA-N -1 0 322.369 -0.788 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ccn(C)n1 ZINC001085972379 825149214 /nfs/dbraw/zinc/14/92/14/825149214.db2.gz YGUXOXMGQGVSFW-VIFPVBQESA-N -1 0 305.342 -0.410 20 0 DBADRM Cc1nonc1C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001085999835 825154160 /nfs/dbraw/zinc/15/41/60/825154160.db2.gz VKKLCTWSNRNQSY-QMMMGPOBSA-N -1 0 307.314 -0.452 20 0 DBADRM C[C@@H]1CC2(CN1C(=O)C(N)=O)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001086939851 825306530 /nfs/dbraw/zinc/30/65/30/825306530.db2.gz ASOJBDFKORVFLB-SECBINFHSA-N -1 0 322.369 -0.801 20 0 DBADRM CC[C@@H]1[C@@H](NC(=O)Cn2cccn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087502508 825338668 /nfs/dbraw/zinc/33/86/68/825338668.db2.gz LAXDRKCTJWCIFO-WDEREUQCSA-N -1 0 319.369 -0.124 20 0 DBADRM O=C(c1cn[nH]n1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001088024654 825389423 /nfs/dbraw/zinc/38/94/23/825389423.db2.gz STUGUBPHIZSDSW-BDAKNGLRSA-N -1 0 318.341 -0.778 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)[nH]1 ZINC001088558457 825440033 /nfs/dbraw/zinc/44/00/33/825440033.db2.gz NKLBHTGFNCSVRA-APPZFPTMSA-N -1 0 320.357 -0.741 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088919529 825476195 /nfs/dbraw/zinc/47/61/95/825476195.db2.gz LCIPDGMNNDRYPW-SFYZADRCSA-N -1 0 306.330 -0.968 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)c2ncccn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088934838 825477685 /nfs/dbraw/zinc/47/76/85/825477685.db2.gz ZJCMFGAGIGLVFC-BDAKNGLRSA-N -1 0 303.326 -0.307 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1Cc1ccon1 ZINC001089006895 825484376 /nfs/dbraw/zinc/48/43/76/825484376.db2.gz DZFRXDYPHDPTBG-SCZZXKLOSA-N -1 0 322.325 -0.544 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccccc1 ZINC001090027940 825549894 /nfs/dbraw/zinc/54/98/94/825549894.db2.gz YGQWAVSKNLZYBG-NWDGAFQWSA-N -1 0 317.349 -0.125 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)no1 ZINC001090033371 825551835 /nfs/dbraw/zinc/55/18/35/825551835.db2.gz ZUHWLMBAPPLVAY-SCZZXKLOSA-N -1 0 322.325 -0.828 20 0 DBADRM Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)on1 ZINC001090067780 825556678 /nfs/dbraw/zinc/55/66/78/825556678.db2.gz GXSXPUICCDZNRR-RKDXNWHRSA-N -1 0 322.325 -0.828 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccoc1 ZINC001090074721 825558486 /nfs/dbraw/zinc/55/84/86/825558486.db2.gz VVLXJTURWHZEAD-ZJUUUORDSA-N -1 0 307.310 -0.532 20 0 DBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cncs1 ZINC001090111596 825572306 /nfs/dbraw/zinc/57/23/06/825572306.db2.gz COFGIZNAAVOEMK-YUMQZZPRSA-N -1 0 324.366 -0.668 20 0 DBADRM Cc1[nH]ccc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090175631 825589316 /nfs/dbraw/zinc/58/93/16/825589316.db2.gz VBNWRQWPZSDTML-GHMZBOCLSA-N -1 0 320.353 -0.488 20 0 DBADRM O=C(Cc1ccoc1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090213253 825598290 /nfs/dbraw/zinc/59/82/90/825598290.db2.gz IITUHLPNTNECNZ-MNOVXSKESA-N -1 0 321.337 -0.603 20 0 DBADRM CC1(C)CC(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)C1 ZINC001090243547 825607083 /nfs/dbraw/zinc/60/70/83/825607083.db2.gz HKKTYAKFXPOTAH-WDEREUQCSA-N -1 0 323.397 -0.002 20 0 DBADRM Cc1nocc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090537433 825743295 /nfs/dbraw/zinc/74/32/95/825743295.db2.gz LKWLPPYBOOAZGB-NXEZZACHSA-N -1 0 322.325 -0.828 20 0 DBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)c1nc[nH]n1)C2 ZINC001092110716 825999715 /nfs/dbraw/zinc/99/97/15/825999715.db2.gz MBXNIRWXQFQNRP-OQPBUACISA-N -1 0 318.341 -0.778 20 0 DBADRM CCC(=O)N1CC(n2cc(CNCc3n[nH]c(=O)[n-]3)nn2)C1 ZINC001093296730 826116147 /nfs/dbraw/zinc/11/61/47/826116147.db2.gz KAXSHLQNYQOMMO-UHFFFAOYSA-N -1 0 306.330 -0.815 20 0 DBADRM COc1cc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)ncn1 ZINC001274038650 833008956 /nfs/dbraw/zinc/00/89/56/833008956.db2.gz WYUYTBGRWMEFKV-NSCUHMNNSA-N -1 0 319.325 -0.615 20 0 DBADRM CC(C)c1cc(NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001093779269 826167817 /nfs/dbraw/zinc/16/78/17/826167817.db2.gz FLJIDNPQEORZQP-UHFFFAOYSA-N -1 0 321.341 -0.169 20 0 DBADRM O=C(NCCNc1cc(F)ncn1)c1c[n-]n2c1nccc2=O ZINC001094160515 826200991 /nfs/dbraw/zinc/20/09/91/826200991.db2.gz RUSWTYIFWSEVTD-UHFFFAOYSA-N -1 0 317.284 -0.206 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCNc1nccnc1F ZINC001094256641 826211721 /nfs/dbraw/zinc/21/17/21/826211721.db2.gz AOMCIWVXJXVOOK-UHFFFAOYSA-N -1 0 323.288 -0.627 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNc2ccc3nnnn3n2)c1[O-] ZINC001094389646 826239474 /nfs/dbraw/zinc/23/94/74/826239474.db2.gz MCGSBDWOYXFHFB-UHFFFAOYSA-N -1 0 317.313 -0.512 20 0 DBADRM Cc1ccnc(NCCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001094527712 826246980 /nfs/dbraw/zinc/24/69/80/826246980.db2.gz QWXBWGJJGSEFNB-UHFFFAOYSA-N -1 0 307.314 -0.594 20 0 DBADRM CCN1C[C@@H](C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)CC1=O ZINC001274076860 833026894 /nfs/dbraw/zinc/02/68/94/833026894.db2.gz WPVMXNMFIZYYAF-XOULXFPDSA-N -1 0 322.369 -0.859 20 0 DBADRM Cc1cc(NCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)nc(C)n1 ZINC001094887919 826298279 /nfs/dbraw/zinc/29/82/79/826298279.db2.gz HJKXAIQXGRMWPS-UHFFFAOYSA-N -1 0 319.325 -0.078 20 0 DBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)C1=COCCO1 ZINC001095136681 826307587 /nfs/dbraw/zinc/30/75/87/826307587.db2.gz JXWBWFGRTUQRKX-UTLUCORTSA-N -1 0 321.337 -0.380 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)N(C)C)c1[O-] ZINC001095315913 826316131 /nfs/dbraw/zinc/31/61/31/826316131.db2.gz BXCRJLVMGVRKDS-VWYCJHECSA-N -1 0 321.381 -0.153 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)c1 ZINC001095311351 826316291 /nfs/dbraw/zinc/31/62/91/826316291.db2.gz FUAFMICYTBNMRY-YWVKMMECSA-N -1 0 317.353 -0.221 20 0 DBADRM CCN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ncccn1 ZINC001095901811 826350056 /nfs/dbraw/zinc/35/00/56/826350056.db2.gz QUCMUSYEJREQNG-UHFFFAOYSA-N -1 0 321.341 -0.488 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@H]1CCCO1 ZINC001096770474 826395239 /nfs/dbraw/zinc/39/52/39/826395239.db2.gz LYSCRDIREXHOMC-CHWFTXMASA-N -1 0 307.354 -0.089 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cn[nH]c1 ZINC001096839208 826399348 /nfs/dbraw/zinc/39/93/48/826399348.db2.gz XPSBBLKVACOKKK-BBBLOLIVSA-N -1 0 303.326 -0.231 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@H]1CCC(=O)N1 ZINC001096883987 826400681 /nfs/dbraw/zinc/40/06/81/826400681.db2.gz AMJBKKCORNYOCY-KYXWUPHJSA-N -1 0 320.353 -0.990 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1ncc[nH]1 ZINC001097048880 826408470 /nfs/dbraw/zinc/40/84/70/826408470.db2.gz OBWJSQMYOXCGCB-HLTSFMKQSA-N -1 0 303.326 -0.231 20 0 DBADRM O=C(Cn1nccn1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001097144756 826411451 /nfs/dbraw/zinc/41/14/51/826411451.db2.gz WZLOQHHAZVUOTG-BBBLOLIVSA-N -1 0 318.341 -0.977 20 0 DBADRM Cc1nsc(N[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001097976546 826443143 /nfs/dbraw/zinc/44/31/43/826443143.db2.gz LFCTVWAZWVALJJ-RXMQYKEDSA-N -1 0 313.343 -0.534 20 0 DBADRM Cc1cc(N[C@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)nc(C)n1 ZINC001097976372 826443584 /nfs/dbraw/zinc/44/35/84/826443584.db2.gz GCIPHZWYDBFQQX-MRVPVSSYSA-N -1 0 321.341 -0.287 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1cc(F)ncn1 ZINC001097976682 826443591 /nfs/dbraw/zinc/44/35/91/826443591.db2.gz OIAZEHLSNPJZGC-LURJTMIESA-N -1 0 311.277 -0.765 20 0 DBADRM Cc1cnc(C)nc1N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001097976897 826443979 /nfs/dbraw/zinc/44/39/79/826443979.db2.gz USUWQBNELKUXQD-QMMMGPOBSA-N -1 0 321.341 -0.287 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1nccnc1F ZINC001097976684 826444099 /nfs/dbraw/zinc/44/40/99/826444099.db2.gz OIZGSQDNWOTICR-LURJTMIESA-N -1 0 311.277 -0.765 20 0 DBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1ccncn1 ZINC001098065018 826448046 /nfs/dbraw/zinc/44/80/46/826448046.db2.gz SMIDDHFXVBOZSR-IEBDPFPHSA-N -1 0 315.337 -0.164 20 0 DBADRM Cc1nsc(N[C@H](C)CNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001098178415 826452854 /nfs/dbraw/zinc/45/28/54/826452854.db2.gz LDGCTZVAPDBHDI-ZCFIWIBFSA-N -1 0 324.366 -0.124 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)Nc1ncccn1 ZINC001098178335 826452889 /nfs/dbraw/zinc/45/28/89/826452889.db2.gz JAVYGFAOLPQKJC-QMMMGPOBSA-N -1 0 304.310 -0.494 20 0 DBADRM Cc1cc(N[C@@H](C)CNC(=O)c2cnc([O-])n(C)c2=O)ncn1 ZINC001098178913 826453375 /nfs/dbraw/zinc/45/33/75/826453375.db2.gz ZGFZSYUJTVPNTO-VIFPVBQESA-N -1 0 318.337 -0.185 20 0 DBADRM C[C@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)Nc1ncccn1 ZINC001098400313 826478411 /nfs/dbraw/zinc/47/84/11/826478411.db2.gz VBNWLBYXINQWBP-MRVPVSSYSA-N -1 0 319.325 -0.378 20 0 DBADRM Cc1ccnc(N[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001098435825 826482154 /nfs/dbraw/zinc/48/21/54/826482154.db2.gz SICTYPZNAQHQEO-SSDOTTSWSA-N -1 0 305.298 -0.388 20 0 DBADRM COc1ccnc(N[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001098434937 826482440 /nfs/dbraw/zinc/48/24/40/826482440.db2.gz AZFFCSRTZKEUJH-LURJTMIESA-N -1 0 321.297 -0.688 20 0 DBADRM Cc1ccnc(N[C@@H](C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001099361960 826565082 /nfs/dbraw/zinc/56/50/82/826565082.db2.gz OEHZVLUBYLIAIH-QMMMGPOBSA-N -1 0 321.341 -0.205 20 0 DBADRM CSCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099656692 826607253 /nfs/dbraw/zinc/60/72/53/826607253.db2.gz ITRCXZTZDHLMEH-RKDXNWHRSA-N -1 0 315.399 -0.685 20 0 DBADRM CC(C)(C)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099681443 826616634 /nfs/dbraw/zinc/61/66/34/826616634.db2.gz QJUKLPVNLCXOQY-UWVGGRQHSA-N -1 0 311.386 -0.002 20 0 DBADRM CC/C=C(/C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099720480 826633630 /nfs/dbraw/zinc/63/36/30/826633630.db2.gz FHSNPZKSPWSNMA-BMMYIHMSSA-N -1 0 309.370 -0.082 20 0 DBADRM O=C(c1c[nH]c(=O)c(=O)[n-]1)N1CC2(CCN2Cc2ccc[nH]2)C1 ZINC001274501231 833087448 /nfs/dbraw/zinc/08/74/48/833087448.db2.gz BPYOUJYJIKUNMU-UHFFFAOYSA-N -1 0 315.333 -0.508 20 0 DBADRM O=C(CCC(F)F)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099924568 826731907 /nfs/dbraw/zinc/73/19/07/826731907.db2.gz WUABAJIQSKFTQH-HTQZYQBOSA-N -1 0 319.312 -0.393 20 0 DBADRM CCC1(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CC1 ZINC001099994196 826764008 /nfs/dbraw/zinc/76/40/08/826764008.db2.gz MKEDQFLCCAYXQL-UWVGGRQHSA-N -1 0 309.370 -0.248 20 0 DBADRM CC(F)(F)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099994326 826764694 /nfs/dbraw/zinc/76/46/94/826764694.db2.gz PFQLNEMFCXKOJW-YUMQZZPRSA-N -1 0 319.312 -0.393 20 0 DBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1(CF)CC1 ZINC001100005439 826768059 /nfs/dbraw/zinc/76/80/59/826768059.db2.gz BOFCFEXNPCFYAZ-BDAKNGLRSA-N -1 0 313.333 -0.689 20 0 DBADRM CS(=O)(=O)CCCCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001162488595 833109432 /nfs/dbraw/zinc/10/94/32/833109432.db2.gz UXCCMGTVHUFEAA-UHFFFAOYSA-N -1 0 308.385 -0.457 20 0 DBADRM CN(CCNC(=O)c1cnc([O-])n(C)c1=O)c1cccc(F)n1 ZINC001100264683 826922418 /nfs/dbraw/zinc/92/24/18/826922418.db2.gz YXKJJGKBEPFPMT-UHFFFAOYSA-N -1 0 321.312 -0.114 20 0 DBADRM CN(CCNC(=O)c1cnc([O-])n(C)c1=O)c1nccnc1F ZINC001100264300 826922648 /nfs/dbraw/zinc/92/26/48/826922648.db2.gz HXPWKOUAFSATLL-UHFFFAOYSA-N -1 0 322.300 -0.719 20 0 DBADRM Cc1nsc(NCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001102050509 827183148 /nfs/dbraw/zinc/18/31/48/827183148.db2.gz SVCQKPCVUCVJDC-UHFFFAOYSA-N -1 0 311.327 -0.373 20 0 DBADRM NC(=O)[C@H]1CCn2nccc2CN1C(=O)c1ccncc1[O-] ZINC001275217814 833160648 /nfs/dbraw/zinc/16/06/48/833160648.db2.gz FKQKWCHSGBMUMD-LLVKDONJSA-N -1 0 301.306 -0.116 20 0 DBADRM CN1CCN(c2cc(N[C@@H]3SC(=O)[N-]C3=O)ncn2)CC1 ZINC001163661771 833162048 /nfs/dbraw/zinc/16/20/48/833162048.db2.gz DSVCBZLWUPRLJK-LLVKDONJSA-N -1 0 308.367 -0.051 20 0 DBADRM Cc1nc(S(C)(=O)=O)ncc1N[C@@H]1SC(=O)[N-]C1=O ZINC001163675041 833162127 /nfs/dbraw/zinc/16/21/27/833162127.db2.gz WCQKTHNJUHUFPW-SSDOTTSWSA-N -1 0 302.337 -0.090 20 0 DBADRM Cc1ccnc(NC[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001104273655 827335133 /nfs/dbraw/zinc/33/51/33/827335133.db2.gz XIWBUBPNTCXYLO-SSDOTTSWSA-N -1 0 319.325 -0.141 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNc1cnc(F)cn1 ZINC001104273047 827335361 /nfs/dbraw/zinc/33/53/61/827335361.db2.gz NIQADEAIPDRXSD-LURJTMIESA-N -1 0 323.288 -0.310 20 0 DBADRM COCCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001275610108 833193732 /nfs/dbraw/zinc/19/37/32/833193732.db2.gz NOJYYDJWYJQBLJ-MEBBXXQBSA-N -1 0 322.365 -0.307 20 0 DBADRM C[C@@H]1c2ncc(CC(N)=O)n2CCN1C(=O)c1cc(=O)n(C)[n-]1 ZINC001275609861 833193832 /nfs/dbraw/zinc/19/38/32/833193832.db2.gz FOQBOPVNUGQVRU-MRVPVSSYSA-N -1 0 318.337 -0.433 20 0 DBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2C[C@@H](O)[C@@H](F)C2)nc1 ZINC001164110051 833191096 /nfs/dbraw/zinc/19/10/96/833191096.db2.gz YKGULOSSCNQNIG-VHSXEESVSA-N -1 0 303.315 -0.575 20 0 DBADRM COC(=O)[C@@H]1C[C@H](Nc2ccc(-n3[n-]c(C)cc3=O)nn2)CN1 ZINC001164306695 833204816 /nfs/dbraw/zinc/20/48/16/833204816.db2.gz OUGSABXUBYIPIR-UWVGGRQHSA-N -1 0 318.337 -0.095 20 0 DBADRM CN1CCN(C2CN(c3nccnc3CC(=O)[O-])C2)CC1=O ZINC001165112787 833227533 /nfs/dbraw/zinc/22/75/33/833227533.db2.gz QRSZAERCVWIFAF-UHFFFAOYSA-N -1 0 305.338 -0.934 20 0 DBADRM Cc1cc(NCC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001106395671 827655140 /nfs/dbraw/zinc/65/51/40/827655140.db2.gz PJDFIKVHCHBPPN-QMMMGPOBSA-N -1 0 321.341 -0.205 20 0 DBADRM C[C@H](CCNc1ncccn1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001106512134 827659046 /nfs/dbraw/zinc/65/90/46/827659046.db2.gz DSAMPFZNJDQJPZ-SECBINFHSA-N -1 0 318.337 -0.104 20 0 DBADRM CCN(CCNc1ncccn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001107000714 827691632 /nfs/dbraw/zinc/69/16/32/827691632.db2.gz OEFPRHXFVBOXRX-UHFFFAOYSA-N -1 0 305.298 -0.353 20 0 DBADRM CCN(CCNc1ccnc(C)n1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001107001074 827692119 /nfs/dbraw/zinc/69/21/19/827692119.db2.gz XJHLDYQSTHJKCX-UHFFFAOYSA-N -1 0 319.325 -0.045 20 0 DBADRM O=C(Nc1nnco1)[C@@]12C[C@@H]1CCN2C(=O)c1cc(=O)[nH][n-]1 ZINC001276019097 833236199 /nfs/dbraw/zinc/23/61/99/833236199.db2.gz KJVRYYXLWUFALE-PWCHPLFNSA-N -1 0 304.266 -0.258 20 0 DBADRM COCCN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cc(=O)[nH][n-]1 ZINC001276024615 833236686 /nfs/dbraw/zinc/23/66/86/833236686.db2.gz BEZOMVJEUQFUKO-LKFCYVNXSA-N -1 0 308.338 -0.175 20 0 DBADRM COCCN(C)C(=O)C12CC(NC(=O)c3cc(=O)[nH][n-]3)(C1)C2 ZINC001276025353 833236851 /nfs/dbraw/zinc/23/68/51/833236851.db2.gz OJGAXYFUEMAGGK-UHFFFAOYSA-N -1 0 308.338 -0.127 20 0 DBADRM CC/C=C(\C)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001276028535 833238067 /nfs/dbraw/zinc/23/80/67/833238067.db2.gz YEFPBSMPXMVEGD-ONNFQVAWSA-N -1 0 309.370 -0.080 20 0 DBADRM Cc1ccc(NCC=CCNC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001107287451 827738668 /nfs/dbraw/zinc/73/86/68/827738668.db2.gz XHSLUXBBBBNLAZ-IHWYPQMZSA-N -1 0 319.325 -0.428 20 0 DBADRM Cc1ccc(NCC=CCNC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001107287452 827738753 /nfs/dbraw/zinc/73/87/53/827738753.db2.gz XHSLUXBBBBNLAZ-NSCUHMNNSA-N -1 0 319.325 -0.428 20 0 DBADRM O=C(NCC=CCNc1cnc(F)cn1)c1n[nH]c(=O)[n-]c1=O ZINC001107604948 827756305 /nfs/dbraw/zinc/75/63/05/827756305.db2.gz ONXUCYZFETYLBO-UPHRSURJSA-N -1 0 321.272 -0.390 20 0 DBADRM Cc1ccc(NCC=CCNC(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001107604692 827756507 /nfs/dbraw/zinc/75/65/07/827756507.db2.gz GTHHTVJHWZWAIA-NSCUHMNNSA-N -1 0 317.309 -0.221 20 0 DBADRM CC(=O)NC[C@@]1(C)CN(Cc2cc(=O)n3[n-]ccc3n2)CCO1 ZINC001107664173 827762926 /nfs/dbraw/zinc/76/29/26/827762926.db2.gz IDAVWBLZZSTGNZ-HNNXBMFYSA-N -1 0 319.365 -0.250 20 0 DBADRM CC(C)(F)C(=O)NC[C@@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107683741 827768141 /nfs/dbraw/zinc/76/81/41/827768141.db2.gz TZMUEWSTTUNRLI-ZDUSSCGKSA-N -1 0 315.349 -0.035 20 0 DBADRM C[C@]1(CNC(=O)c2cocn2)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107813591 827802165 /nfs/dbraw/zinc/80/21/65/827802165.db2.gz UMDOIIYJPCRLSE-ZDUSSCGKSA-N -1 0 322.325 -0.481 20 0 DBADRM Cc1ccnc(NC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001107869224 827817966 /nfs/dbraw/zinc/81/79/66/827817966.db2.gz RRONXQMESWXRLE-MRVPVSSYSA-N -1 0 307.314 -0.595 20 0 DBADRM Cc1cc(NC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)nc(C)n1 ZINC001107869180 827818016 /nfs/dbraw/zinc/81/80/16/827818016.db2.gz PBZGHFKSJVVEIF-MRVPVSSYSA-N -1 0 321.341 -0.287 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@]2(C)CN(CCCO)CCO2)c1[O-] ZINC001107871259 827819597 /nfs/dbraw/zinc/81/95/97/827819597.db2.gz AIZKGPGUKANOGG-AWEZNQCLSA-N -1 0 312.370 -0.373 20 0 DBADRM Cc1cc(C)nc(NC[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001107874689 827820624 /nfs/dbraw/zinc/82/06/24/827820624.db2.gz KETKDOOWUOFJMQ-SECBINFHSA-N -1 0 321.341 -0.287 20 0 DBADRM C[C@H](CNc1cnc(F)cn1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001108052416 827882794 /nfs/dbraw/zinc/88/27/94/827882794.db2.gz BHUAPRFVSSCNJU-SSDOTTSWSA-N -1 0 322.300 -0.355 20 0 DBADRM C[C@H](CNc1ncccn1)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001108204732 827919555 /nfs/dbraw/zinc/91/95/55/827919555.db2.gz VRFLJZRHVVINLT-MRVPVSSYSA-N -1 0 319.325 -0.378 20 0 DBADRM Cc1cc(NC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001108465941 827980132 /nfs/dbraw/zinc/98/01/32/827980132.db2.gz DNWDSZJEWHFJEG-QMMMGPOBSA-N -1 0 307.314 -0.595 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NCCC[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001166782734 833281219 /nfs/dbraw/zinc/28/12/19/833281219.db2.gz MDZYGUJGLTZMIM-BDAKNGLRSA-N -1 0 310.358 -0.992 20 0 DBADRM C[C@@H](CNc1cc(F)ncn1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001108634271 828032978 /nfs/dbraw/zinc/03/29/78/828032978.db2.gz MLMPTAMRDNXVTE-ZETCQYMHSA-N -1 0 322.300 -0.355 20 0 DBADRM CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109176948 828094574 /nfs/dbraw/zinc/09/45/74/828094574.db2.gz QWBOYELWDIXSOC-UTLUCORTSA-N -1 0 322.369 -0.742 20 0 DBADRM CC(C)[C@@H](O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109233765 828104224 /nfs/dbraw/zinc/10/42/24/828104224.db2.gz HVIVGXFSKNOYFP-FYLLDIAZSA-N -1 0 309.370 -0.251 20 0 DBADRM Cc1ccc(N(C)C[C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)nn1 ZINC001109309208 828109472 /nfs/dbraw/zinc/10/94/72/828109472.db2.gz AGLBUNGLXGBCBU-MRVPVSSYSA-N -1 0 319.325 -0.364 20 0 DBADRM CN(CCCNc1cc(F)ncn1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001109665760 828129114 /nfs/dbraw/zinc/12/91/14/828129114.db2.gz KWDBKFFFCVTKRV-UHFFFAOYSA-N -1 0 323.288 -0.214 20 0 DBADRM COC1(OC)CCOC[C@@H]1NC(=O)c1c[n-]n2c1nccc2=O ZINC001167439774 833298843 /nfs/dbraw/zinc/29/88/43/833298843.db2.gz HIXNHGAEDUEEKL-JTQLQIEISA-N -1 0 322.321 -0.470 20 0 DBADRM CCOC(=O)c1cn(C)c2c1ncnc2N[C@@H]1CO[N-]C1=O ZINC001167511097 833301905 /nfs/dbraw/zinc/30/19/05/833301905.db2.gz QBEDRWFBJOOZMY-MRVPVSSYSA-N -1 0 305.294 -0.013 20 0 DBADRM C[C@@]1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(c2ncccn2)C1 ZINC001110773299 828199210 /nfs/dbraw/zinc/19/92/10/828199210.db2.gz FTJDRNAJLZFILZ-CYBMUJFWSA-N -1 0 319.325 -0.736 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110893371 828204711 /nfs/dbraw/zinc/20/47/11/828204711.db2.gz GWUHGONCNWKCOI-JLIMGVALSA-N -1 0 322.369 -0.757 20 0 DBADRM C[C@H]1[C@H](Nc2ccc3c(=O)[nH]cc-3[nH]2)C(=O)N1S(=O)(=O)[O-] ZINC001167857610 833311598 /nfs/dbraw/zinc/31/15/98/833311598.db2.gz GFIRLJCOEPSJOL-CDUCUWFYSA-N -1 0 312.307 -0.861 20 0 DBADRM CC(C)n1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)ncc1=O ZINC001167861303 833311966 /nfs/dbraw/zinc/31/19/66/833311966.db2.gz JOENWSINAVZGFR-XVKPBYJWSA-N -1 0 316.339 -0.362 20 0 DBADRM C[C@H]1[C@H](Nc2ccc(OC(F)F)nn2)C(=O)N1S(=O)(=O)[O-] ZINC001167859685 833311983 /nfs/dbraw/zinc/31/19/83/833311983.db2.gz UNJOKTLHOWEYKJ-FFWSUHOLSA-N -1 0 324.265 -0.108 20 0 DBADRM C[C@H]1[C@H](Nc2cnc(N(C)C)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001167860039 833311992 /nfs/dbraw/zinc/31/19/92/833311992.db2.gz ZCQMEWGIXCVXDQ-RCOVLWMOSA-N -1 0 301.328 -0.643 20 0 DBADRM COc1c(Cl)cnnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167859416 833312024 /nfs/dbraw/zinc/31/20/24/833312024.db2.gz XODISAGJPKNHNF-NJGYIYPDSA-N -1 0 322.730 -0.047 20 0 DBADRM Cc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c(=O)n(C)c1 ZINC001167862183 833312048 /nfs/dbraw/zinc/31/20/48/833312048.db2.gz QQMQOULXJLPWDJ-CBAPKCEASA-N -1 0 301.324 -0.492 20 0 DBADRM C[C@H]1[C@H](Nc2cnc3nccnc3c2)C(=O)N1S(=O)(=O)[O-] ZINC001167859893 833312104 /nfs/dbraw/zinc/31/21/04/833312104.db2.gz WEYGMSAGBUIEFC-RCOVLWMOSA-N -1 0 309.307 -0.161 20 0 DBADRM Cc1[nH]nc(C(=O)N(CCO)CCNc2ncccn2)c1[O-] ZINC001111457035 828272422 /nfs/dbraw/zinc/27/24/22/828272422.db2.gz HBWFHYUVLUUHFA-UHFFFAOYSA-N -1 0 306.326 -0.240 20 0 DBADRM Cc1cc(=O)n(-c2ccc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)nn2)[n-]1 ZINC001168043000 833316249 /nfs/dbraw/zinc/31/62/49/833316249.db2.gz ZLCQOBVUXMWYLW-NTKGCBCNSA-N -1 0 321.337 -0.896 20 0 DBADRM COC(=O)c1nccc(NC(=N)SCCS(=O)(=O)[O-])n1 ZINC001168097248 833317930 /nfs/dbraw/zinc/31/79/30/833317930.db2.gz PZVRBORMBPQZLA-UHFFFAOYSA-N -1 0 320.352 -0.347 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)NCc1nc([O-])cc(=O)[nH]1)C(C)=O ZINC001168430564 833324021 /nfs/dbraw/zinc/32/40/21/833324021.db2.gz NEINCNNJTZJODN-QMMMGPOBSA-N -1 0 311.294 -0.338 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCCN1CCCC1=O ZINC001116007788 828871733 /nfs/dbraw/zinc/87/17/33/828871733.db2.gz HQVPFNSOVNRSAN-UHFFFAOYSA-N -1 0 318.337 -0.800 20 0 DBADRM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)NC(C)C ZINC001116438814 828895053 /nfs/dbraw/zinc/89/50/53/828895053.db2.gz QGMCZWYCFUKXSL-NXEZZACHSA-N -1 0 301.368 -0.468 20 0 DBADRM Cc1cn2cc(NC(=O)C(=O)NCc3nnn[n-]3)ccc2n1 ZINC001116464409 828895866 /nfs/dbraw/zinc/89/58/66/828895866.db2.gz BVHXYFXZJUQORL-UHFFFAOYSA-N -1 0 300.282 -0.589 20 0 DBADRM COc1cccn2ncc(C(=O)[N-]n3ccc(=O)[nH]c3=O)c12 ZINC001168869251 833329916 /nfs/dbraw/zinc/32/99/16/833329916.db2.gz PBBFFUXUMIHFBT-UHFFFAOYSA-N -1 0 301.262 -0.011 20 0 DBADRM Cn1cnc2cc(NC(=O)C(=O)NCc3n[nH]c(=O)[n-]3)ccc21 ZINC001116509209 828899003 /nfs/dbraw/zinc/89/90/03/828899003.db2.gz MKLIDLNZESDZLY-UHFFFAOYSA-N -1 0 315.293 -0.348 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]OC1CCOCC1 ZINC001116671524 828906540 /nfs/dbraw/zinc/90/65/40/828906540.db2.gz CQGGUNHBBAHAFO-LBPRGKRZSA-N -1 0 313.354 -0.660 20 0 DBADRM Cn1cc(-c2nn(C)cc2C(=O)NCc2n[nH]c(=O)[n-]2)cn1 ZINC001116688145 828907445 /nfs/dbraw/zinc/90/74/45/828907445.db2.gz IGPRJFYRCVNDIP-UHFFFAOYSA-N -1 0 302.298 -0.426 20 0 DBADRM CCn1cc(-c2n[nH]cc2C(=O)NCc2nc(=O)o[n-]2)cn1 ZINC001116699683 828908348 /nfs/dbraw/zinc/90/83/48/828908348.db2.gz SWVMDPKIQLSGRD-UHFFFAOYSA-N -1 0 303.282 -0.101 20 0 DBADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)[N-]OC)c1C ZINC001116716951 828909224 /nfs/dbraw/zinc/90/92/24/828909224.db2.gz GAZRJKFUJVHOGT-UHFFFAOYSA-N -1 0 301.324 -0.481 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC001116845218 828915817 /nfs/dbraw/zinc/91/58/17/828915817.db2.gz JQCYQIYCBDHGPZ-SNVBAGLBSA-N -1 0 312.326 -0.096 20 0 DBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC001116857019 828916377 /nfs/dbraw/zinc/91/63/77/828916377.db2.gz DAABEWVOBOZHJC-UHFFFAOYSA-N -1 0 311.294 -0.817 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)C(=O)Nc1cccc2c1CCO2 ZINC001116895590 828918611 /nfs/dbraw/zinc/91/86/11/828918611.db2.gz IPFIDIFRMIFHSH-UHFFFAOYSA-N -1 0 303.278 -0.300 20 0 DBADRM Cc1nccn1CCCNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001117016669 828931565 /nfs/dbraw/zinc/93/15/65/828931565.db2.gz CSSPOZWHWXCECB-LBPRGKRZSA-N -1 0 310.354 -0.218 20 0 DBADRM COc1nc(NCc2cc(=O)[n-]o2)nc(N2CCOCC2)n1 ZINC001169481551 833341204 /nfs/dbraw/zinc/34/12/04/833341204.db2.gz ILIQQRUBSQMBSQ-UHFFFAOYSA-N -1 0 308.298 -0.556 20 0 DBADRM CCOC(=O)c1ncc(C(=O)[N-]N2CC(=O)N(C)C2=O)s1 ZINC001117446306 828980554 /nfs/dbraw/zinc/98/05/54/828980554.db2.gz LKPFFLBKLCZURQ-UHFFFAOYSA-N -1 0 312.307 -0.141 20 0 DBADRM CC(C)CO[N-]C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 ZINC001117451136 828980602 /nfs/dbraw/zinc/98/06/02/828980602.db2.gz UUAKHJNRFFFHNR-LLVKDONJSA-N -1 0 309.370 -0.181 20 0 DBADRM O=C([O-])CCN1CCN(S(=O)(=O)CCOCC2CC2)CC1 ZINC001118088410 829033123 /nfs/dbraw/zinc/03/31/23/829033123.db2.gz KURKVLIBFUAFHG-UHFFFAOYSA-N -1 0 320.411 -0.165 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)NCc2cccnc2)CCOCC1 ZINC001118189920 829047415 /nfs/dbraw/zinc/04/74/15/829047415.db2.gz HCKCNTWHTPNJEY-UHFFFAOYSA-N -1 0 321.333 -0.305 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@](O)(C3CC3)C2)C1 ZINC001118190193 829047497 /nfs/dbraw/zinc/04/74/97/829047497.db2.gz IGAUZWSAKXBCDG-BPYAMOTFSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C(c1nnc2ccccc2n1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001170384818 833352260 /nfs/dbraw/zinc/35/22/60/833352260.db2.gz USOKDEYVVJMYIH-JTQLQIEISA-N -1 0 312.293 -0.248 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(c3ccc4nncn4n3)C2)nn1 ZINC001118222141 829052748 /nfs/dbraw/zinc/05/27/48/829052748.db2.gz QCLWBDMYZVMLKJ-QMMMGPOBSA-N -1 0 300.282 -0.135 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCC2(CO)COC2)c1 ZINC001118241276 829055041 /nfs/dbraw/zinc/05/50/41/829055041.db2.gz DAWCVKAABSWNNX-UHFFFAOYSA-N -1 0 308.290 -0.552 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](OC)c1ccccc1 ZINC001118281450 829062501 /nfs/dbraw/zinc/06/25/01/829062501.db2.gz IQDHNFPYFFRGPQ-GFCCVEGCSA-N -1 0 323.349 -0.326 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N(C)Cc1ncnn1CC(F)F ZINC001118305675 829066465 /nfs/dbraw/zinc/06/64/65/829066465.db2.gz XRXNBBUJZTUANH-UHFFFAOYSA-N -1 0 320.300 -0.248 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC001118314368 829067904 /nfs/dbraw/zinc/06/79/04/829067904.db2.gz XGCMLDOUKVQQKH-UHFFFAOYSA-N -1 0 320.305 -0.696 20 0 DBADRM Cc1nnc([C@H](C)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])s1 ZINC001118326250 829069394 /nfs/dbraw/zinc/06/93/94/829069394.db2.gz QSOMWLRNMXANMD-RITPCOANSA-N -1 0 300.340 -0.139 20 0 DBADRM CCC(CC)(C(=O)[O-])C(=O)NCCN1CCS(=O)(=O)CC1 ZINC001118344542 829072553 /nfs/dbraw/zinc/07/25/53/829072553.db2.gz LDKGSNQADKYQTH-UHFFFAOYSA-N -1 0 320.411 -0.276 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CCO[C@H](C)C1 ZINC001118359466 829074907 /nfs/dbraw/zinc/07/49/07/829074907.db2.gz NQJGTCPFVWARJF-ZJUUUORDSA-N -1 0 301.343 -0.898 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CC)[C@H]1CCCOC1 ZINC001118365374 829076397 /nfs/dbraw/zinc/07/63/97/829076397.db2.gz JKMJRTBUXSHJLN-JTQLQIEISA-N -1 0 301.343 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@H](COC)C1 ZINC001118366551 829076566 /nfs/dbraw/zinc/07/65/66/829076566.db2.gz WHNWHDBZGKHDFV-NSHDSACASA-N -1 0 315.370 -0.555 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CC)[C@@H]1CCCOC1 ZINC001118365375 829076752 /nfs/dbraw/zinc/07/67/52/829076752.db2.gz JKMJRTBUXSHJLN-SNVBAGLBSA-N -1 0 301.343 -0.802 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)c1cnc2n1CCOC2 ZINC001118483276 829090616 /nfs/dbraw/zinc/09/06/16/829090616.db2.gz OHDRHDOLTOZQQN-UHFFFAOYSA-N -1 0 317.367 -0.101 20 0 DBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001118542917 829102426 /nfs/dbraw/zinc/10/24/26/829102426.db2.gz ZAKQCOLLWFHCRN-MNOVXSKESA-N -1 0 309.384 -0.090 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC001118549279 829103816 /nfs/dbraw/zinc/10/38/16/829103816.db2.gz YEZHCBXCHGLHIO-VHSXEESVSA-N -1 0 311.338 -0.906 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001118575329 829107239 /nfs/dbraw/zinc/10/72/39/829107239.db2.gz ZAOWSFVLDFZQSK-LLVKDONJSA-N -1 0 308.356 -0.984 20 0 DBADRM COC(=O)CNC(=O)CNc1cccc(S(=O)(=O)[O-])n1 ZINC001170945664 833362540 /nfs/dbraw/zinc/36/25/40/833362540.db2.gz MTEAZKLJQWLJDO-UHFFFAOYSA-N -1 0 303.296 -0.971 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)c3cc(=O)n(C)[n-]3)CCN2C1=O ZINC001118723566 829126808 /nfs/dbraw/zinc/12/68/08/829126808.db2.gz JSLISGFYONWRPS-VIFPVBQESA-N -1 0 307.310 -0.766 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001118723746 829126833 /nfs/dbraw/zinc/12/68/33/829126833.db2.gz NWLZHIMCYYNKNO-HLTSFMKQSA-N -1 0 319.308 -0.280 20 0 DBADRM NC(=O)CO[N-]C(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001118752522 829129349 /nfs/dbraw/zinc/12/93/49/829129349.db2.gz MWKYOQIWCNNBKB-RQJHMYQMSA-N -1 0 300.233 -0.497 20 0 DBADRM Cc1ncc(S(=O)(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)n1C ZINC001118953641 829197434 /nfs/dbraw/zinc/19/74/34/829197434.db2.gz GYEIVTFDCOWEKJ-UHFFFAOYSA-N -1 0 323.338 -0.431 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC1C[C@@H]2COC[C@H](C1)N2C ZINC001172125432 833375976 /nfs/dbraw/zinc/37/59/76/833375976.db2.gz XTPOCUBGZMZABG-YATPEIPISA-N -1 0 300.355 -0.156 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCO[C@H](C(F)F)CC1 ZINC001119341620 829249086 /nfs/dbraw/zinc/24/90/86/829249086.db2.gz VKJKSMOSFMOOJJ-CIUDSAMLSA-N -1 0 320.292 -0.152 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC001119341621 829249344 /nfs/dbraw/zinc/24/93/44/829249344.db2.gz VKJKSMOSFMOOJJ-IWSPIJDZSA-N -1 0 320.292 -0.152 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[C@@H](C2CC2)O1 ZINC001119398484 829257387 /nfs/dbraw/zinc/25/73/87/829257387.db2.gz WWZXIRIYONXVRQ-VGDYDELISA-N -1 0 310.350 -0.008 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC001119398497 829257410 /nfs/dbraw/zinc/25/74/10/829257410.db2.gz XIMGVJDXSPMQPI-BJDJZHNGSA-N -1 0 310.350 -0.007 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H](C)CSC)C1 ZINC001119393339 829257470 /nfs/dbraw/zinc/25/74/70/829257470.db2.gz WYVAQKDQQZSSGI-NOZJJQNGSA-N -1 0 318.395 -0.196 20 0 DBADRM CO[C@]1(C(=O)[N-]OCc2ccccn2)CCS(=O)(=O)C1 ZINC001119579966 829277214 /nfs/dbraw/zinc/27/72/14/829277214.db2.gz GTWHTBKZQFXPRK-GFCCVEGCSA-N -1 0 300.336 -0.167 20 0 DBADRM CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC(=O)[N-]OC ZINC001119687169 829291052 /nfs/dbraw/zinc/29/10/52/829291052.db2.gz RCSAOHXEKKFFTH-GFCCVEGCSA-N -1 0 307.350 -0.082 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C3CCC2(CO)CC3)C1 ZINC001119700024 829294622 /nfs/dbraw/zinc/29/46/22/829294622.db2.gz AWPQYHJNYYTVGC-CUMGRINNSA-N -1 0 310.350 -0.175 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1c2ccccc2CC[C@@H]1F ZINC001119820756 829309020 /nfs/dbraw/zinc/30/90/20/829309020.db2.gz XCIRNJGANAKYQN-AAEUAGOBSA-N -1 0 323.324 -0.078 20 0 DBADRM CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC(=O)[N-]OC ZINC001119840864 829312268 /nfs/dbraw/zinc/31/22/68/829312268.db2.gz ORSFAXZBWYQLDS-UWVGGRQHSA-N -1 0 317.411 -0.039 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCc2c(cccc2OC)C1 ZINC001119848622 829312523 /nfs/dbraw/zinc/31/25/23/829312523.db2.gz PUNJYFGKFFIBRY-UHFFFAOYSA-N -1 0 321.333 -0.626 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC001119848217 829313017 /nfs/dbraw/zinc/31/30/17/829313017.db2.gz JELWNLWILXQXHE-RNFRBKRXSA-N -1 0 311.260 -0.421 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCc2ccc(OC)cc2C1 ZINC001120188793 829340822 /nfs/dbraw/zinc/34/08/22/829340822.db2.gz JGDRJJZLQPKTSV-UHFFFAOYSA-N -1 0 318.337 -0.078 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CC[C@@H](c2nccs2)C1 ZINC001120190267 829340863 /nfs/dbraw/zinc/34/08/63/829340863.db2.gz PNIGLLJVXSQRHT-MRVPVSSYSA-N -1 0 309.355 -0.199 20 0 DBADRM CCO[N-]C(=O)Cn1nnnc1N1CCOCC2(CCC2)C1 ZINC001120300922 829349067 /nfs/dbraw/zinc/34/90/67/829349067.db2.gz PWVINCOTZCRLIK-UHFFFAOYSA-N -1 0 310.358 -0.252 20 0 DBADRM COCC(COC)N1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC001121900330 829525944 /nfs/dbraw/zinc/52/59/44/829525944.db2.gz NMKZBGMCOMWZPF-UHFFFAOYSA-N -1 0 317.386 -0.160 20 0 DBADRM CO[C@H](CNC(=O)[C@]1(C(=O)[O-])C[NH2+]CCO1)C1CCCC1 ZINC001122154988 829552665 /nfs/dbraw/zinc/55/26/65/829552665.db2.gz WFHNQTIAPAFBCI-RISCZKNCSA-N -1 0 300.355 -0.249 20 0 DBADRM CCOC[C@H]1CN(C(=O)Cc2nnn[n-]2)Cc2cnn(C)c21 ZINC001176840049 833422275 /nfs/dbraw/zinc/42/22/75/833422275.db2.gz KCUYHXNDYFZMRS-SNVBAGLBSA-N -1 0 305.342 -0.362 20 0 DBADRM O=C(Cc1nnn[n-]1)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001176838443 833422293 /nfs/dbraw/zinc/42/22/93/833422293.db2.gz WFCZKQIYZCFRPI-UHFFFAOYSA-N -1 0 317.309 -0.752 20 0 DBADRM O=C(Cc1nnn[n-]1)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC001176842064 833422765 /nfs/dbraw/zinc/42/27/65/833422765.db2.gz APHNGJIZBIIVSC-UHFFFAOYSA-N -1 0 316.321 -0.147 20 0 DBADRM COC(=O)c1cnc2c(c1)CN(C(=O)Cc1nnn[n-]1)CC2 ZINC001176842477 833422827 /nfs/dbraw/zinc/42/28/27/833422827.db2.gz KAUOOXOUZYCZFS-UHFFFAOYSA-N -1 0 302.294 -0.491 20 0 DBADRM CCOC(=O)c1cnc2n1CCN(C(=O)Cc1nnn[n-]1)CC2 ZINC001176840893 833423020 /nfs/dbraw/zinc/42/30/20/833423020.db2.gz ONRCLCKZDMTFDC-UHFFFAOYSA-N -1 0 319.325 -0.800 20 0 DBADRM COc1cnc(O[C@@H]2CCN(C(=O)Cc3nnn[n-]3)C2)nc1 ZINC001176842560 833423220 /nfs/dbraw/zinc/42/32/20/833423220.db2.gz NFGBYOWVESBFNK-MRVPVSSYSA-N -1 0 305.298 -0.779 20 0 DBADRM O=C(Cc1nnn[n-]1)NCc1cccc(N2CCOCC2=O)c1 ZINC001176847248 833424734 /nfs/dbraw/zinc/42/47/34/833424734.db2.gz NKOXLLXOUZAGKZ-UHFFFAOYSA-N -1 0 316.321 -0.578 20 0 DBADRM CCOC(=O)CC[C@H](NC(=O)Cc1nnn[n-]1)C(=O)OCC ZINC001176846181 833424789 /nfs/dbraw/zinc/42/47/89/833424789.db2.gz XJVSJIJYZPLHFF-QMMMGPOBSA-N -1 0 313.314 -0.867 20 0 DBADRM COC(=O)c1ccc([C@H](CO)NC(=O)Cc2nnn[n-]2)cc1 ZINC001176847042 833424832 /nfs/dbraw/zinc/42/48/32/833424832.db2.gz FVHIWDFPKBINAI-JTQLQIEISA-N -1 0 305.294 -0.621 20 0 DBADRM COc1cccc(CNC(=O)CNC(=O)Cc2nnn[n-]2)c1 ZINC001176847090 833424848 /nfs/dbraw/zinc/42/48/48/833424848.db2.gz HNGNIPHIWMEZET-UHFFFAOYSA-N -1 0 304.310 -0.817 20 0 DBADRM O=C(Cc1nnn[n-]1)NCc1ccc(N2CCCNC2=O)nc1 ZINC001176847190 833425172 /nfs/dbraw/zinc/42/51/72/833425172.db2.gz LVGNIBNZAXCZDH-UHFFFAOYSA-N -1 0 316.325 -0.627 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNc2cnc(F)cn2)c1[O-] ZINC001124309444 829737460 /nfs/dbraw/zinc/73/74/60/829737460.db2.gz GKHWDUMNCJQSOQ-QMMMGPOBSA-N -1 0 324.316 -0.102 20 0 DBADRM COCCc1noc(CNCCNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001125729368 829876375 /nfs/dbraw/zinc/87/63/75/829876375.db2.gz YOCLISOTOBLWMO-UHFFFAOYSA-N -1 0 324.341 -0.485 20 0 DBADRM CN1CCO[C@H]2CN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])C[C@H]21 ZINC001180172254 833571110 /nfs/dbraw/zinc/57/11/10/833571110.db2.gz QJNDWPPSVQNNTD-RQJHMYQMSA-N -1 0 314.235 -0.117 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])CCO1 ZINC001180174861 833571702 /nfs/dbraw/zinc/57/17/02/833571702.db2.gz SMOKUZQGIQKDSI-BYPYZUCNSA-N -1 0 302.180 -0.946 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)Cn1nc2ccccc2n1 ZINC001180298787 833580246 /nfs/dbraw/zinc/58/02/46/833580246.db2.gz DASUNWPQMXQUQN-NSHDSACASA-N -1 0 320.305 -0.046 20 0 DBADRM COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CO[N-]C1=O ZINC001180791859 833603244 /nfs/dbraw/zinc/60/32/44/833603244.db2.gz LSRFEFGWODVWSH-JGVFFNPUSA-N -1 0 303.315 -0.928 20 0 DBADRM Cn1ccc(CNCCNC(=O)CCCn2c(=O)[n-][nH]c2=O)n1 ZINC001130556462 830341366 /nfs/dbraw/zinc/34/13/66/830341366.db2.gz JDGJVOOZHLGQKF-UHFFFAOYSA-N -1 0 323.357 -0.891 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCNCc1ccon1 ZINC001130756910 830376663 /nfs/dbraw/zinc/37/66/63/830376663.db2.gz HIYARGHXDSFZAM-UHFFFAOYSA-N -1 0 308.298 -0.891 20 0 DBADRM CC(C)c1nnc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001130862844 830400321 /nfs/dbraw/zinc/40/03/21/830400321.db2.gz ICUIOEKHUGIIJW-UHFFFAOYSA-N -1 0 323.313 -0.691 20 0 DBADRM Cc1cnc([C@H](C)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001130862831 830400761 /nfs/dbraw/zinc/40/07/61/830400761.db2.gz HPHXHVVBVNOEPG-ZETCQYMHSA-N -1 0 308.298 -0.340 20 0 DBADRM CCc1nc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)cs1 ZINC001130865329 830402333 /nfs/dbraw/zinc/40/23/33/830402333.db2.gz VAPHWVADIUWGPI-UHFFFAOYSA-N -1 0 324.366 -0.179 20 0 DBADRM CC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001131765449 830521941 /nfs/dbraw/zinc/52/19/41/830521941.db2.gz YVYZJTWOJFBUIH-SCZZXKLOSA-N -1 0 310.358 -0.885 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)CN1Cc1n[nH]c(=O)[n-]1 ZINC001132119678 830591881 /nfs/dbraw/zinc/59/18/81/830591881.db2.gz GSYINQVSCDVZEB-RKDXNWHRSA-N -1 0 324.385 -0.509 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)CN1Cc1n[nH]c(=O)[n-]1 ZINC001132119676 830592286 /nfs/dbraw/zinc/59/22/86/830592286.db2.gz GSYINQVSCDVZEB-DTWKUNHWSA-N -1 0 324.385 -0.509 20 0 DBADRM O=C(Cc1ccc(N2CCNC2=O)cc1)N[C@@H]1CO[N-]C1=O ZINC001182056004 833654233 /nfs/dbraw/zinc/65/42/33/833654233.db2.gz XUAQVADENQMJCT-LLVKDONJSA-N -1 0 304.306 -0.695 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1nnn(Cc2ccncc2)c1C ZINC001134635355 830959403 /nfs/dbraw/zinc/95/94/03/830959403.db2.gz SYMZAVVQEIZIFA-UHFFFAOYSA-N -1 0 304.310 -0.563 20 0 DBADRM CCS(=O)(=O)c1cccc(CC(=O)NCC(=O)[N-]OC)c1 ZINC001134635688 830959715 /nfs/dbraw/zinc/95/97/15/830959715.db2.gz ZEMWQSKNIGZVMV-UHFFFAOYSA-N -1 0 314.363 -0.184 20 0 DBADRM Cn1nnnc1CCCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001134814442 830978823 /nfs/dbraw/zinc/97/88/23/830978823.db2.gz HEQWXEKHZRRIOE-UHFFFAOYSA-N -1 0 322.291 -0.284 20 0 DBADRM Cc1noc(CNCCNC(=O)c2c[n-]n3c2nccc3=O)n1 ZINC001134938830 830992386 /nfs/dbraw/zinc/99/23/86/830992386.db2.gz IIGGLKKBPWSEHS-UHFFFAOYSA-N -1 0 317.309 -0.766 20 0 DBADRM Cc1conc1CNCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001134941594 830993982 /nfs/dbraw/zinc/99/39/82/830993982.db2.gz JQUDMXNOLZMLOG-UHFFFAOYSA-N -1 0 316.321 -0.161 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)NCCCC[P@@](=O)([O-])O ZINC001183139095 833707632 /nfs/dbraw/zinc/70/76/32/833707632.db2.gz ILASVGNTALQAHM-VIFPVBQESA-N -1 0 310.312 -0.018 20 0 DBADRM CC(=O)N1CSC[C@H]1C(=O)n1[n-]c2ccnc(=O)c-2c1N ZINC001183141924 833708450 /nfs/dbraw/zinc/70/84/50/833708450.db2.gz WMRWOJQYJZJIMA-QMMMGPOBSA-N -1 0 307.335 -0.180 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCCN1CCCC1=O ZINC001135814322 831127273 /nfs/dbraw/zinc/12/72/73/831127273.db2.gz MNGCCEPJXYBPMT-UHFFFAOYSA-N -1 0 311.342 -0.402 20 0 DBADRM C[C@@H]1CCC[C@H](C)N1C(=O)C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001135914243 831137866 /nfs/dbraw/zinc/13/78/66/831137866.db2.gz ZXFVVSKXIHPXEN-AOOOYVTPSA-N -1 0 324.385 -0.494 20 0 DBADRM O=C(CCCCc1c[nH]nn1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001136655837 831165120 /nfs/dbraw/zinc/16/51/20/831165120.db2.gz JZLXTOHSLYUBAM-SNVBAGLBSA-N -1 0 306.330 -0.369 20 0 DBADRM C[C@@]1(C(=O)NCc2nc(=O)o[n-]2)Oc2ccccc2NC1=O ZINC001137741149 831171907 /nfs/dbraw/zinc/17/19/07/831171907.db2.gz YDODJAUCPKVGAW-ZDUSSCGKSA-N -1 0 304.262 -0.231 20 0 DBADRM CC1(/C=C/C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCOCC1 ZINC001138193572 831174705 /nfs/dbraw/zinc/17/47/05/831174705.db2.gz HCHWGPRREGTSFF-HWKANZROSA-N -1 0 318.395 -0.059 20 0 DBADRM COc1cccc(CN2CCO[C@@H](C(N)=O)C2)c1OCC(=O)[O-] ZINC001139272124 831180188 /nfs/dbraw/zinc/18/01/88/831180188.db2.gz XRONWBDEXVFEFN-GFCCVEGCSA-N -1 0 324.333 -0.155 20 0 DBADRM CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)[N-]OCCOC)c1 ZINC001139847469 831183369 /nfs/dbraw/zinc/18/33/69/831183369.db2.gz YWRWYCAQCHKBLL-UHFFFAOYSA-N -1 0 304.324 -0.111 20 0 DBADRM COC(=O)[C@@H]1C(=O)NCCN1Cc1[nH]c(C)c(C(=O)[O-])c1C ZINC001140497998 831187243 /nfs/dbraw/zinc/18/72/43/831187243.db2.gz BZFJOCBLIITTJO-NSHDSACASA-N -1 0 309.322 -0.197 20 0 DBADRM CON(C)C(=O)C1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001141416680 831191305 /nfs/dbraw/zinc/19/13/05/831191305.db2.gz QSYVWCRCXBLUCM-UHFFFAOYSA-N -1 0 310.358 -0.219 20 0 DBADRM CC(C)O[N-]C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001141476618 831192374 /nfs/dbraw/zinc/19/23/74/831192374.db2.gz ZSMBTPKFVARWPM-SECBINFHSA-N -1 0 317.367 -0.392 20 0 DBADRM Cc1ccc(CCNC(=O)CCn2cc[nH]c(=O)c2=O)nc1 ZINC001141893618 831195909 /nfs/dbraw/zinc/19/59/09/831195909.db2.gz MRDHAHKMWXQTDJ-UHFFFAOYSA-N -1 0 302.334 -0.011 20 0 DBADRM C[C@H]1[C@H](NC(=O)Cc2ccc(F)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001142021891 831199303 /nfs/dbraw/zinc/19/93/03/831199303.db2.gz DYTWTRCDYNUQFK-WKEGUHRASA-N -1 0 317.298 -0.719 20 0 DBADRM C[C@H]1[C@H](NC(=O)/C=C/c2ccoc2)C(=O)N1S(=O)(=O)[O-] ZINC001142265379 831208405 /nfs/dbraw/zinc/20/84/05/831208405.db2.gz JKAVUSGJIXDFCM-BDRIAGRASA-N -1 0 300.292 -0.189 20 0 DBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)C1CC(F)C1 ZINC001142572087 831214208 /nfs/dbraw/zinc/21/42/08/831214208.db2.gz YUSZTNPHHHKXKO-UHFFFAOYSA-N -1 0 321.290 -0.903 20 0 DBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)C1=COCC1 ZINC001142560324 831214556 /nfs/dbraw/zinc/21/45/56/831214556.db2.gz GGCXLVQEMYDYNP-NSHDSACASA-N -1 0 322.321 -0.668 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccccc1O[C@H]1CC(=O)N1 ZINC001142625814 831216634 /nfs/dbraw/zinc/21/66/34/831216634.db2.gz WUGHVWMQEXLNHU-NSHDSACASA-N -1 0 319.277 -0.447 20 0 DBADRM CN(C)C(=O)COCc1noc2c1CN(C(=O)C(=O)[O-])CC2 ZINC001143418680 831237056 /nfs/dbraw/zinc/23/70/56/831237056.db2.gz DPTUZKNTUFCZSK-UHFFFAOYSA-N -1 0 311.294 -0.751 20 0 DBADRM CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)[O-])C(=O)C1 ZINC001143429196 831237185 /nfs/dbraw/zinc/23/71/85/831237185.db2.gz JFDGQECFTBMFDC-UHFFFAOYSA-N -1 0 315.326 -0.734 20 0 DBADRM Cc1csc2ncc(C(=O)NCc3nnc([O-])n3C)c(=O)n12 ZINC001143604110 831240776 /nfs/dbraw/zinc/24/07/76/831240776.db2.gz QLQDGOUJLSNHGM-UHFFFAOYSA-N -1 0 320.334 -0.171 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 ZINC001143675826 831242127 /nfs/dbraw/zinc/24/21/27/831242127.db2.gz KJPXTKSFZLCCCC-AGIUHOORSA-N -1 0 305.334 -0.832 20 0 DBADRM O=C(NCS(=O)(=O)[O-])[C@H]1[C@H](O)CCN1Cc1ccccc1 ZINC001143677792 831242520 /nfs/dbraw/zinc/24/25/20/831242520.db2.gz VDAQDDUQRHZXSC-VXGBXAGGSA-N -1 0 314.363 -0.417 20 0 DBADRM C/C=C(\C)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001143950099 831244350 /nfs/dbraw/zinc/24/43/50/831244350.db2.gz CPIAXYRNYNUZAV-BWLWAFFFSA-N -1 0 308.338 -0.006 20 0 DBADRM C[C@H](C(=O)NCc1nnn[n-]1)N1C(=O)c2ccccc2C1=O ZINC001143974318 831245512 /nfs/dbraw/zinc/24/55/12/831245512.db2.gz JBJBKHMIVKXDJX-SSDOTTSWSA-N -1 0 300.278 -0.499 20 0 DBADRM C/C=C/C=C/C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001143993595 831245606 /nfs/dbraw/zinc/24/56/06/831245606.db2.gz RCOFGQKJZFWCOS-NPONVEADSA-N -1 0 315.311 -0.519 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](C(=O)NCc1nnn[n-]1)C(C)(C)O ZINC001146279247 831274337 /nfs/dbraw/zinc/27/43/37/831274337.db2.gz HGHBWIULIRXGFI-MRVPVSSYSA-N -1 0 314.346 -0.520 20 0 DBADRM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CO[N-]C1=O ZINC001146291172 831275362 /nfs/dbraw/zinc/27/53/62/831275362.db2.gz FUVDOETYGURZJR-SFYZADRCSA-N -1 0 317.367 -0.157 20 0 DBADRM Cn1ncc([N-]S(=O)(=O)c2cnc(Cl)nc2)c1C(N)=O ZINC001184999792 833777076 /nfs/dbraw/zinc/77/70/76/833777076.db2.gz HLBFNESXKMOTAU-UHFFFAOYSA-N -1 0 316.730 -0.237 20 0 DBADRM Cn1ncnc1C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001146998527 831321290 /nfs/dbraw/zinc/32/12/90/831321290.db2.gz KYDUZKRBEWLXOR-UHFFFAOYSA-N -1 0 307.291 -0.501 20 0 DBADRM CCCOCC(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001147194077 831346796 /nfs/dbraw/zinc/34/67/96/831346796.db2.gz AOFQRGMEZFADRV-UHFFFAOYSA-N -1 0 309.370 -0.029 20 0 DBADRM CC(C)c1cc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)no1 ZINC001147484930 831376213 /nfs/dbraw/zinc/37/62/13/831376213.db2.gz VYFMHLZLBVVNJL-RCOVLWMOSA-N -1 0 317.323 -0.070 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)NC[C@@H]1CNC(=O)CO1 ZINC001177346483 833464104 /nfs/dbraw/zinc/46/41/04/833464104.db2.gz YZVUTGHKPUPKNQ-YFKPBYRVSA-N -1 0 320.421 -0.450 20 0 DBADRM Cc1ccnn1CC(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001177052872 833452773 /nfs/dbraw/zinc/45/27/73/833452773.db2.gz PGIDHZKQBRQVBL-UHFFFAOYSA-N -1 0 306.369 -0.137 20 0 DBADRM Cn1ccc(C(=O)N2CC[C@@H](O)[C@@](C)(CO)C2)c1CC(=O)[O-] ZINC001177364356 833464629 /nfs/dbraw/zinc/46/46/29/833464629.db2.gz NUJAEDXYBAHZQL-IUODEOHRSA-N -1 0 310.350 -0.142 20 0 DBADRM CSCC[C@H](NC(=O)[C@]1(C)CCN(C)C1=O)c1nnn[n-]1 ZINC001148260781 831441898 /nfs/dbraw/zinc/44/18/98/831441898.db2.gz KXXWVXDYOJONSW-UFBFGSQYSA-N -1 0 312.399 -0.022 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H]2CO[N-]C2=O)ccc1Cl ZINC001148372828 831448716 /nfs/dbraw/zinc/44/87/16/831448716.db2.gz KTINJNLPBGKKEK-SSDOTTSWSA-N -1 0 319.726 -0.853 20 0 DBADRM Cn1ccc(C(=O)N2CC[C@](C)(CO)[C@H](O)C2)c1CC(=O)[O-] ZINC001177365184 833465192 /nfs/dbraw/zinc/46/51/92/833465192.db2.gz ZUOYDZRTOFYDLQ-IUODEOHRSA-N -1 0 310.350 -0.142 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CC(=O)N(c2nccs2)C1 ZINC001177336111 833463542 /nfs/dbraw/zinc/46/35/42/833463542.db2.gz XGWBMSVVEWZYHZ-LURJTMIESA-N -1 0 308.323 -0.364 20 0 DBADRM O=C(NCS(=O)(=O)[O-])[C@H]1CC(=O)N(c2nccs2)C1 ZINC001177335180 833463579 /nfs/dbraw/zinc/46/35/79/833463579.db2.gz KORCBHQPWBJVKU-LURJTMIESA-N -1 0 305.337 -0.543 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148917957 831478912 /nfs/dbraw/zinc/47/89/12/831478912.db2.gz ISIUJEHJALHQHR-SSDOTTSWSA-N -1 0 314.319 -0.401 20 0 DBADRM CCN(CCC(N)=O)C(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148918570 831479416 /nfs/dbraw/zinc/47/94/16/831479416.db2.gz MSJAOCQTAHUHAU-UHFFFAOYSA-N -1 0 316.335 -0.024 20 0 DBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)C(F)F ZINC001148994173 831483127 /nfs/dbraw/zinc/48/31/27/831483127.db2.gz CXZFTAIDAWHNKF-ZETCQYMHSA-N -1 0 305.285 -0.518 20 0 DBADRM CC(C)(F)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001149027447 831485737 /nfs/dbraw/zinc/48/57/37/831485737.db2.gz GOKCVOVOVSJSMG-VIFPVBQESA-N -1 0 315.349 -0.035 20 0 DBADRM CC(C)n1ccc(CNCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001149161442 831502415 /nfs/dbraw/zinc/50/24/15/831502415.db2.gz UVHZYRQBQAYLJJ-UHFFFAOYSA-N -1 0 323.357 -0.627 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NCCNCc2n[nH]c(=O)[n-]2)cc1 ZINC001150765999 831645005 /nfs/dbraw/zinc/64/50/05/831645005.db2.gz PGFLAACSBXEUJC-UHFFFAOYSA-N -1 0 318.337 -0.337 20 0 DBADRM COCCCn1cc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)cn1 ZINC001150802900 831647193 /nfs/dbraw/zinc/64/71/93/831647193.db2.gz HUKOBPBBIFLATQ-NSHDSACASA-N -1 0 321.341 -0.354 20 0 DBADRM C[C@@H]1Oc2cc(C(=O)NCS(=O)(=O)[O-])ccc2NC1=O ZINC001151208225 831672285 /nfs/dbraw/zinc/67/22/85/831672285.db2.gz BGPVSHGRSKOCFH-LURJTMIESA-N -1 0 300.292 -0.019 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@H](C)NC(C)=O ZINC001151713791 831702838 /nfs/dbraw/zinc/70/28/38/831702838.db2.gz NTBWYDNHDSQTTR-BDAKNGLRSA-N -1 0 312.374 -0.639 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)Cn1cccn1 ZINC001151912355 831716652 /nfs/dbraw/zinc/71/66/52/831716652.db2.gz GUXGIVYSTVVWNO-SNVBAGLBSA-N -1 0 307.358 -0.266 20 0 DBADRM Nc1c2c(=O)nccc-2[n-]n1C(=O)c1n[nH]c2c1COCC2 ZINC001152018626 831719428 /nfs/dbraw/zinc/71/94/28/831719428.db2.gz VFPACKLIXLDANH-UHFFFAOYSA-N -1 0 300.278 -0.257 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCNCc1cnon1 ZINC001152059698 831721733 /nfs/dbraw/zinc/72/17/33/831721733.db2.gz NJEACEACIPLHMG-UHFFFAOYSA-N -1 0 323.275 -0.268 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)Cc1cc[nH]n1 ZINC001152521226 831759247 /nfs/dbraw/zinc/75/92/47/831759247.db2.gz BFNUKEUDGVUUOK-SECBINFHSA-N -1 0 307.358 -0.197 20 0 DBADRM O=C(Nn1cnnc1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001152541269 831760944 /nfs/dbraw/zinc/76/09/44/831760944.db2.gz OIZPADNCHXEDRV-UHFFFAOYSA-N -1 0 316.252 -0.151 20 0 DBADRM NC(=O)CCNC(=O)c1sc(C(=O)[O-])c2c1OCCO2 ZINC001152713606 831770112 /nfs/dbraw/zinc/77/01/12/831770112.db2.gz KAFJTJQHJVQNKL-UHFFFAOYSA-N -1 0 300.292 -0.177 20 0 DBADRM NC(=O)C1(NC(=O)c2sc(C(=O)[O-])c3c2OCCO3)CC1 ZINC001152707643 831770752 /nfs/dbraw/zinc/77/07/52/831770752.db2.gz HGDXAHSSZJOIOO-UHFFFAOYSA-N -1 0 312.303 -0.035 20 0 DBADRM Cc1nnnn1[C@H](Cc1ccccc1)C(=O)[N-]OCC(N)=O ZINC001152779518 831775567 /nfs/dbraw/zinc/77/55/67/831775567.db2.gz XGRWUIGOGOQECQ-LLVKDONJSA-N -1 0 304.310 -0.702 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)CCn1ccnn1 ZINC001152962083 831784416 /nfs/dbraw/zinc/78/44/16/831784416.db2.gz WYDSHUQOPZAODR-SNVBAGLBSA-N -1 0 322.373 -0.481 20 0 DBADRM O=C(NC1CN(C2COC2)C1)c1c[n-]c2cccnc2c1=O ZINC001153862955 831840955 /nfs/dbraw/zinc/84/09/55/831840955.db2.gz FZSOFUVBCQZBLV-UHFFFAOYSA-N -1 0 300.318 -0.264 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001154119703 831862621 /nfs/dbraw/zinc/86/26/21/831862621.db2.gz NMUAMUYMGGHYIJ-NXEZZACHSA-N -1 0 324.385 -0.637 20 0 DBADRM Cn1cncc1CCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001154131225 831862845 /nfs/dbraw/zinc/86/28/45/831862845.db2.gz KZLYQXVYEWAMHO-UHFFFAOYSA-N -1 0 312.337 -0.219 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@H](C)CC(N)=O ZINC001154592645 831888554 /nfs/dbraw/zinc/88/85/54/831888554.db2.gz RHNFXUVZEMRGEF-RKDXNWHRSA-N -1 0 312.374 -0.652 20 0 DBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@H]1CCN(C)C1=O ZINC001154719571 831897115 /nfs/dbraw/zinc/89/71/15/831897115.db2.gz HKRUAVQGPWKWOR-NXEZZACHSA-N -1 0 324.385 -0.685 20 0 DBADRM Cc1c[nH]c(CC(N)=O)c1C(=O)NCCc1n[n-]c(=S)o1 ZINC001154906634 831906452 /nfs/dbraw/zinc/90/64/52/831906452.db2.gz GSWDGLBIXFALGI-UHFFFAOYSA-N -1 0 309.351 -0.005 20 0 DBADRM COC[C@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1nnn[n-]1 ZINC001155070777 831915113 /nfs/dbraw/zinc/91/51/13/831915113.db2.gz YXZWJZPQIATBBB-NSHDSACASA-N -1 0 314.309 -0.102 20 0 DBADRM O=C(c1nccnc1Cl)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001155516177 831936789 /nfs/dbraw/zinc/93/67/89/831936789.db2.gz OOZOMHYGVXWPJM-UHFFFAOYSA-N -1 0 309.717 -0.233 20 0 DBADRM O=C(NCc1nnn[n-]1)c1nnc2ccc(Br)cn21 ZINC001155687381 831946160 /nfs/dbraw/zinc/94/61/60/831946160.db2.gz QIISPMNQCURDAB-UHFFFAOYSA-N -1 0 323.114 -0.065 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)c1ccc2c(n1)NC(=O)CO2 ZINC001155734919 831948781 /nfs/dbraw/zinc/94/87/81/831948781.db2.gz UOUGHLQKQOJGST-JTQLQIEISA-N -1 0 308.275 -0.549 20 0 DBADRM O=C(C[C@@H]1CC(=O)NC1=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001155746704 831950172 /nfs/dbraw/zinc/95/01/72/831950172.db2.gz YJYBALYQIMIIAR-YUMQZZPRSA-N -1 0 307.310 -0.731 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNCc2nc(N(C)C)no2)c1[O-] ZINC001156622218 831993014 /nfs/dbraw/zinc/99/30/14/831993014.db2.gz YHBROMAASLJKNG-UHFFFAOYSA-N -1 0 323.357 -0.218 20 0 DBADRM Cc1n[nH]c(C(=O)NCc2nnc3ccc(N(C)C)nn32)c1[O-] ZINC001156827392 832003470 /nfs/dbraw/zinc/00/34/70/832003470.db2.gz CPWUFGISYNISMX-UHFFFAOYSA-N -1 0 316.325 -0.143 20 0 DBADRM COC(=O)c1ccnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001157067911 832019309 /nfs/dbraw/zinc/01/93/09/832019309.db2.gz YNMPTAANYZXSBJ-RCOVLWMOSA-N -1 0 315.307 -0.318 20 0 DBADRM C[C@H]1[C@H](Nc2ncnc3cccnc32)C(=O)N1S(=O)(=O)[O-] ZINC001157067919 832019386 /nfs/dbraw/zinc/01/93/86/832019386.db2.gz YYCVZPHMGUOYKN-XPUUQOCRSA-N -1 0 309.307 -0.161 20 0 DBADRM CCOC(=O)c1cnn2ccc(C(=O)NCc3nnn[n-]3)cc12 ZINC001157145966 832024739 /nfs/dbraw/zinc/02/47/39/832024739.db2.gz BZLOLAGOLMPCRA-UHFFFAOYSA-N -1 0 315.293 -0.046 20 0 DBADRM N=C(Nc1nccc(C(N)=O)n1)SCCS(=O)(=O)[O-] ZINC001157322046 832033319 /nfs/dbraw/zinc/03/33/19/832033319.db2.gz NGRACSVDJLFSKA-UHFFFAOYSA-N -1 0 305.341 -0.457 20 0 DBADRM N=C(Nc1ccc(C(N)=O)nn1)SCCS(=O)(=O)[O-] ZINC001157321739 832033699 /nfs/dbraw/zinc/03/36/99/832033699.db2.gz ALUXQOIMAFXAGZ-UHFFFAOYSA-N -1 0 305.341 -0.457 20 0 DBADRM Cc1ccc2nc(CNC(=O)Cn3c(=O)[n-][nH]c3=O)cn2c1 ZINC001157417537 832041296 /nfs/dbraw/zinc/04/12/96/832041296.db2.gz FGCRWDVUZGQFFS-UHFFFAOYSA-N -1 0 302.294 -0.038 20 0 DBADRM COC(=O)[C@H]1CN(c2nccnc2CC(=O)[O-])CCN1C(C)=O ZINC001158023779 832084385 /nfs/dbraw/zinc/08/43/85/832084385.db2.gz KABCUBLVFLDQJS-LLVKDONJSA-N -1 0 322.321 -0.686 20 0 DBADRM CN(CC(=O)N1CCC[C@H](F)C(=O)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654720 833804087 /nfs/dbraw/zinc/80/40/87/833804087.db2.gz QYQQCKSDDDVSIW-ZETCQYMHSA-N -1 0 324.249 -0.935 20 0 DBADRM CN(CC(=O)N1CCC[C@@H](F)C(=O)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654719 833804094 /nfs/dbraw/zinc/80/40/94/833804094.db2.gz QYQQCKSDDDVSIW-SSDOTTSWSA-N -1 0 324.249 -0.935 20 0 DBADRM CN(CC(=O)N(C)c1ccccc1N)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663185 833804412 /nfs/dbraw/zinc/80/44/12/833804412.db2.gz XJCDQIRTKBRUDR-UHFFFAOYSA-N -1 0 315.270 -0.220 20 0 DBADRM C[C@@H]1CO[C@@H]2CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C[C@H]12 ZINC001185657621 833804507 /nfs/dbraw/zinc/80/45/07/833804507.db2.gz ZCSHTXBAZSLRGG-IWSPIJDZSA-N -1 0 320.286 -0.971 20 0 DBADRM CN(CC(=O)N(C)Cc1cncs1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657229 833804826 /nfs/dbraw/zinc/80/48/26/833804826.db2.gz QFAGCVCYVYDYGO-UHFFFAOYSA-N -1 0 321.299 -0.350 20 0 DBADRM CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1nnn[n-]1 ZINC001269576158 832450864 /nfs/dbraw/zinc/45/08/64/832450864.db2.gz GHLZTSYMLCJWHB-FBIMIBRVSA-N -1 0 320.353 -0.688 20 0 DBADRM CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1nnn[n-]1 ZINC001269576160 832451101 /nfs/dbraw/zinc/45/11/01/832451101.db2.gz GHLZTSYMLCJWHB-JMJZKYOTSA-N -1 0 320.353 -0.688 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCC[C@@]12CCN(CC(F)F)C2=O ZINC001269577691 832452026 /nfs/dbraw/zinc/45/20/26/832452026.db2.gz OCNIZGAGNWCAKL-LBPRGKRZSA-N -1 0 314.296 -0.399 20 0 DBADRM O=C(Cc1nnn[n-]1)N1CCCC[C@@]12CC(=O)N(C1COC1)C2 ZINC001269577457 832452077 /nfs/dbraw/zinc/45/20/77/832452077.db2.gz JPHNGSUCLNOUEN-AWEZNQCLSA-N -1 0 320.353 -0.875 20 0 DBADRM COCCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1nnn[n-]1 ZINC001269578171 832452139 /nfs/dbraw/zinc/45/21/39/832452139.db2.gz VBEVOECRTLQOPE-GHMZBOCLSA-N -1 0 322.369 -0.629 20 0 DBADRM CN(C)C(=O)c1n[nH]c2c1CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C2 ZINC001270178928 832508435 /nfs/dbraw/zinc/50/84/35/832508435.db2.gz ALICESXQYJBTRL-UHFFFAOYSA-N -1 0 318.293 -0.531 20 0 DBADRM O=C(Cc1nnn[n-]1)N1C[C@H]2CN(Cc3ccc[nH]3)C[C@@H](C1)O2 ZINC001270182388 832509226 /nfs/dbraw/zinc/50/92/26/832509226.db2.gz DGOSGLWRYPQFNG-TXEJJXNPSA-N -1 0 317.353 -0.818 20 0 DBADRM CC(C)NC(=O)N1C[C@@H]2CCN(C(=O)Cc3nnn[n-]3)[C@@H]2C1 ZINC001270183142 832510070 /nfs/dbraw/zinc/51/00/70/832510070.db2.gz QPZKMVCBCKZOPL-VHSXEESVSA-N -1 0 307.358 -0.607 20 0 DBADRM O=C(Cc1nnn[n-]1)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CC=CC1 ZINC001270789440 832578881 /nfs/dbraw/zinc/57/88/81/832578881.db2.gz PWSFXKGTXJETOB-XXSPCDMZSA-N -1 0 316.365 -0.329 20 0 DBADRM CC(C)(C)NC(=O)[C@@H]1CC12CN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270938738 832598734 /nfs/dbraw/zinc/59/87/34/832598734.db2.gz JLYICCZAMBKQHC-QMMMGPOBSA-N -1 0 324.410 -0.275 20 0 DBADRM CC/C=C(\C)C(=O)NC[C@]1(O)CCN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001271118292 832622290 /nfs/dbraw/zinc/62/22/90/832622290.db2.gz AWBMURXAXWJMIL-IWOOQVRJSA-N -1 0 323.397 -0.482 20 0 DBADRM CNC(=O)[C@H]1CC12CCN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)CC2 ZINC001271608140 832686505 /nfs/dbraw/zinc/68/65/05/832686505.db2.gz IUXBGZKXKLBNEE-MRVPVSSYSA-N -1 0 306.322 -0.949 20 0 DBADRM CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1c[nH]c(=O)c(=O)[n-]1 ZINC001271609615 832686998 /nfs/dbraw/zinc/68/69/98/832686998.db2.gz SUGDQSRMUACMCH-AWEZNQCLSA-N -1 0 306.322 -0.710 20 0 DBADRM O=C([N-]c1nnco1)c1noc2c1CN(C(=O)[C@H]1CCO1)CC2 ZINC001271683589 832693089 /nfs/dbraw/zinc/69/30/89/832693089.db2.gz NCFXANJSNVEUIQ-SECBINFHSA-N -1 0 319.277 -0.017 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2cc(C3CC3)n[nH]2)C(=O)N1S(=O)(=O)[O-] ZINC001188397989 833983120 /nfs/dbraw/zinc/98/31/20/833983120.db2.gz IYSVRFCOXDIYIM-CDUCUWFYSA-N -1 0 314.323 -0.581 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1nc(F)ccc1C(N)=O ZINC001188355614 833978555 /nfs/dbraw/zinc/97/85/55/833978555.db2.gz QNUHDSAQAXJTMB-UHFFFAOYSA-N -1 0 305.287 -0.376 20 0 DBADRM CCc1c([N-]S(=O)(=O)CCC(=O)OC)c(C(N)=O)nn1C ZINC001188360542 833978752 /nfs/dbraw/zinc/97/87/52/833978752.db2.gz UEZIPKQGIIENIX-UHFFFAOYSA-N -1 0 318.355 -0.614 20 0 DBADRM NC(=O)c1cnc2n1CCN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001272264934 832764393 /nfs/dbraw/zinc/76/43/93/832764393.db2.gz LHUQCXUOCWNIQP-UHFFFAOYSA-N -1 0 319.243 -0.997 20 0 DBADRM CC(=O)[C@@H](C)N1C(=O)COCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001272282326 832767416 /nfs/dbraw/zinc/76/74/16/832767416.db2.gz AHMOYIAQTBLDLY-MRVPVSSYSA-N -1 0 322.321 -0.854 20 0 DBADRM CC(C)CN1CC2(CN(C(=O)c3cc(=O)n(C)[n-]3)C2)OCC1=O ZINC001272355627 832775264 /nfs/dbraw/zinc/77/52/64/832775264.db2.gz KPLQTDVYIXWAKH-UHFFFAOYSA-N -1 0 322.365 -0.165 20 0 DBADRM Cc1cc(N2CCC(C(=O)NCc3nnn[n-]3)CC2)ncn1 ZINC001177561485 833474053 /nfs/dbraw/zinc/47/40/53/833474053.db2.gz HNNUNXRPJBBCLB-UHFFFAOYSA-N -1 0 302.342 -0.169 20 0 DBADRM CN=c1c(N)cc(Cl)nn1C(=O)Cn1nn[n-]c1=S ZINC001177736322 833480500 /nfs/dbraw/zinc/48/05/00/833480500.db2.gz KHWZNQPUJZAYTA-UHFFFAOYSA-N -1 0 300.735 -0.735 20 0 DBADRM COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1nn[n-]c1=S)C2 ZINC001177739309 833480929 /nfs/dbraw/zinc/48/09/29/833480929.db2.gz NBSQSJMYFPLMHH-YIZRAAEISA-N -1 0 311.367 -0.238 20 0 DBADRM CC(=O)OCN1CCC(NC(=O)Cn2nn[n-]c2=S)CC1 ZINC001177742118 833481019 /nfs/dbraw/zinc/48/10/19/833481019.db2.gz DTQBCZSMOFMFPQ-UHFFFAOYSA-N -1 0 314.371 -0.937 20 0 DBADRM O=C(Cn1nn[n-]c1=S)N[C@@H]1CCN(c2ccccn2)C1 ZINC001177743481 833481050 /nfs/dbraw/zinc/48/10/50/833481050.db2.gz NGJIVILBJADLCV-SECBINFHSA-N -1 0 305.367 -0.248 20 0 DBADRM CCc1nnc2ccc(CNC(=O)Cn3nn[n-]c3=S)cn21 ZINC001177742716 833481182 /nfs/dbraw/zinc/48/11/82/833481182.db2.gz IKXLBBJNHUKJJR-UHFFFAOYSA-N -1 0 318.366 -0.117 20 0 DBADRM O=C(Cn1nn[n-]c1=S)NC[C@H](O)COc1ccccc1 ZINC001177744032 833481652 /nfs/dbraw/zinc/48/16/52/833481652.db2.gz QFHXPIBRBWFDDO-VIFPVBQESA-N -1 0 309.351 -0.482 20 0 DBADRM CCOC(=O)c1c(CCC(=O)N[C@@H]2CO[N-]C2=O)c[nH]c1C ZINC001177836958 833483285 /nfs/dbraw/zinc/48/32/85/833483285.db2.gz QRHFXTSIKISNJP-SNVBAGLBSA-N -1 0 309.322 -0.021 20 0 DBADRM COC[C@H](NC(=O)c1nccn2cc(C)nc12)c1nnn[n-]1 ZINC001177827278 833483310 /nfs/dbraw/zinc/48/33/10/833483310.db2.gz FFCWXDQYVQNMRM-QMMMGPOBSA-N -1 0 302.298 -0.332 20 0 DBADRM CN1C[C@H](C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)CC1=O ZINC001178524711 833511869 /nfs/dbraw/zinc/51/18/69/833511869.db2.gz ZIRMCEAHUXDCSM-SSDOTTSWSA-N -1 0 323.330 -0.465 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001178553816 833513632 /nfs/dbraw/zinc/51/36/32/833513632.db2.gz QMSAOELIBJEGSF-IMJSIDKUSA-N -1 0 303.300 -0.995 20 0 DBADRM COc1ccc(C(=O)NCC(=O)NCC(=O)CCC(=O)[O-])cc1 ZINC001180809077 833604049 /nfs/dbraw/zinc/60/40/49/833604049.db2.gz UZUGNFQJHMNBKD-UHFFFAOYSA-N -1 0 322.317 -0.025 20 0 DBADRM COc1ccc(C(=O)NCC(=O)N[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC001180808485 833604092 /nfs/dbraw/zinc/60/40/92/833604092.db2.gz SQWGOXXCBJTINR-GFCCVEGCSA-N -1 0 323.330 -0.150 20 0 DBADRM O=C(COCCO)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001181790344 833644291 /nfs/dbraw/zinc/64/42/91/833644291.db2.gz FNLRJHFUXYYJFE-UHFFFAOYSA-N -1 0 300.292 -0.934 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001182192446 833664126 /nfs/dbraw/zinc/66/41/26/833664126.db2.gz YZHGUZAQYLFDIY-KCJUWKMLSA-N -1 0 319.321 -0.694 20 0 DBADRM COCC1(C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC)CCOCC1 ZINC001182436589 833675785 /nfs/dbraw/zinc/67/57/85/833675785.db2.gz YKXZETMHBXXWIB-JTQLQIEISA-N -1 0 317.338 -0.048 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)Cn1c(=O)cnc2ccccc21 ZINC001182945579 833696480 /nfs/dbraw/zinc/69/64/80/833696480.db2.gz VEJCDDCDGYZKCX-UHFFFAOYSA-N -1 0 317.301 -0.053 20 0 DBADRM C[C@@H](O)[C@@H](C(=O)NCc1nnn[n-]1)N(C)C(=O)OC(C)(C)C ZINC001182958173 833696963 /nfs/dbraw/zinc/69/69/63/833696963.db2.gz IJHOYSLTCVDTIW-APPZFPTMSA-N -1 0 314.346 -0.568 20 0 DBADRM C[C@@]1(O)C=C[C@H](O)C(C(=O)n2[n-]c3ccnc(=O)c-3c2N)=C1 ZINC001183547766 833721898 /nfs/dbraw/zinc/72/18/98/833721898.db2.gz LOQFIPYGNCMYKP-LKFCYVNXSA-N -1 0 302.290 -0.493 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CCCC[C@H]2CO)C(=O)N1S(=O)(=O)[O-] ZINC001184159889 833751410 /nfs/dbraw/zinc/75/14/10/833751410.db2.gz ICCWWKNRLPAVGS-QEYWKRMJSA-N -1 0 320.367 -0.697 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@H]2CCCC[C@@H]2CO)C(=O)N1S(=O)(=O)[O-] ZINC001184159881 833751415 /nfs/dbraw/zinc/75/14/15/833751415.db2.gz ICCWWKNRLPAVGS-JXUBOQSCSA-N -1 0 320.367 -0.697 20 0 DBADRM O=C(Cn1c(=O)[nH]c2cc(F)ccc21)NCS(=O)(=O)[O-] ZINC001184517825 833761746 /nfs/dbraw/zinc/76/17/46/833761746.db2.gz KTLYJRDPPPOGLH-UHFFFAOYSA-N -1 0 303.271 -0.158 20 0 DBADRM Cc1ccc(S(=O)(=O)NCC(=O)CCO)cc1C(=O)[O-] ZINC001184717998 833767948 /nfs/dbraw/zinc/76/79/48/833767948.db2.gz QQZZCMKIYYLQRJ-UHFFFAOYSA-N -1 0 301.320 -0.077 20 0 DBADRM COC(=O)[C@@H](NC(=O)c1nc(SC)ncc1[O-])[C@@H](C)O ZINC001185185136 833782230 /nfs/dbraw/zinc/78/22/30/833782230.db2.gz ASWYBWPBEMDMKK-VDTYLAMSSA-N -1 0 301.324 -0.444 20 0 DBADRM COc1ccc(S(=O)(=O)N[C@H]2COC(=O)C2)cc1C(=O)[O-] ZINC001185324256 833792158 /nfs/dbraw/zinc/79/21/58/833792158.db2.gz GAYZXMNLHMAPSZ-SSDOTTSWSA-N -1 0 315.303 -0.013 20 0 DBADRM COc1ccc(S(=O)(=O)NCC2(O)COC2)cc1C(=O)[O-] ZINC001185323439 833792296 /nfs/dbraw/zinc/79/22/96/833792296.db2.gz SJEDAMWACCRHOD-UHFFFAOYSA-N -1 0 317.319 -0.567 20 0 DBADRM C[C@H]1[C@H](NC(=O)c2ccc(CO)cc2)C(=O)N1S(=O)(=O)[O-] ZINC001186125433 833834492 /nfs/dbraw/zinc/83/44/92/833834492.db2.gz YABHJEFXOQUAKN-XVKPBYJWSA-N -1 0 314.319 -0.689 20 0 DBADRM C[NH+]1CCN(c2ccccc2C(=O)N[C@@H]2CO[N-]C2=O)CC1 ZINC001186906794 833883264 /nfs/dbraw/zinc/88/32/64/833883264.db2.gz KACHKKOPTSUEKI-GFCCVEGCSA-N -1 0 304.350 -0.402 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCS(=O)(=O)[O-] ZINC001186935724 833888741 /nfs/dbraw/zinc/88/87/41/833888741.db2.gz ULAJKGPEKHDPDL-JGVFFNPUSA-N -1 0 324.355 -0.512 20 0 DBADRM O=C1Cc2cc(S(=O)(=O)NCC[P@](=O)([O-])O)ccc2N1 ZINC001186944572 833888824 /nfs/dbraw/zinc/88/88/24/833888824.db2.gz CRKMOCDURSXULS-UHFFFAOYSA-N -1 0 320.263 -0.363 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CCC(=O)N(C)C2=O)cc1=O ZINC001276754557 833895287 /nfs/dbraw/zinc/89/52/87/833895287.db2.gz RBAYFSWUOWDLEP-LLVKDONJSA-N -1 0 322.365 -0.362 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1ccccc1CN1CCOCC1 ZINC001187450274 833926564 /nfs/dbraw/zinc/92/65/64/833926564.db2.gz GEQYMRVEHAFWKB-CYBMUJFWSA-N -1 0 305.334 -0.321 20 0 DBADRM C[C@H]1C[C@@H]1CN1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001277133545 833927900 /nfs/dbraw/zinc/92/79/00/833927900.db2.gz DBUGUYSPEFDKLP-JGVFFNPUSA-N -1 0 302.342 -0.421 20 0 DBADRM C[C@H]1C[C@H]1CN1CCc2onc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001277133522 833928006 /nfs/dbraw/zinc/92/80/06/833928006.db2.gz CQTBBSCINWFHMU-IUCAKERBSA-N -1 0 317.353 -0.114 20 0 DBADRM C[C@H]1C[C@H]1CN1CCc2c([nH]nc2C(=O)N=c2nn[n-]n2C)C1 ZINC001277135279 833928210 /nfs/dbraw/zinc/92/82/10/833928210.db2.gz XVZAGLJFHHXMTG-IUCAKERBSA-N -1 0 316.369 -0.379 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1n[nH]nc1C(F)(F)F ZINC001187770220 833947942 /nfs/dbraw/zinc/94/79/42/833947942.db2.gz IUZJQKVHGWCCDM-BYPYZUCNSA-N -1 0 324.215 -0.040 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(Cc1cnco1)C2 ZINC001277552409 833968969 /nfs/dbraw/zinc/96/89/69/833968969.db2.gz YTZWLAVYJHLSIP-UHFFFAOYSA-N -1 0 315.297 -0.889 20 0 DBADRM Nc1nc2nc(CN3C(=O)c4ccccc4C3=O)cc(=O)n2[n-]1 ZINC001188176422 833971556 /nfs/dbraw/zinc/97/15/56/833971556.db2.gz ATIJDMUYBJELJL-UHFFFAOYSA-N -1 0 310.273 -0.204 20 0 DBADRM COC(=O)CCS(=O)(=O)[N-]c1cnc(C(=O)OC)cn1 ZINC001188350631 833977761 /nfs/dbraw/zinc/97/77/61/833977761.db2.gz XHOZJLSKSVHXSE-UHFFFAOYSA-N -1 0 303.296 -0.432 20 0 DBADRM Cc1ncc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)s1 ZINC001188423764 833985195 /nfs/dbraw/zinc/98/51/95/833985195.db2.gz ORWLUYBZDPHZRC-FFWSUHOLSA-N -1 0 305.337 -0.417 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001188766057 834010646 /nfs/dbraw/zinc/01/06/46/834010646.db2.gz UVYURRDMWJSGOY-WPRPVWTQSA-N -1 0 310.358 -0.932 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C[C@H]1CCCO1)C2 ZINC001277970157 834015427 /nfs/dbraw/zinc/01/54/27/834015427.db2.gz IZWIDBXPXTZQLH-MRVPVSSYSA-N -1 0 318.341 -0.898 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001189086328 834045819 /nfs/dbraw/zinc/04/58/19/834045819.db2.gz QVDPSQMBXCQOND-JTQLQIEISA-N -1 0 322.369 -0.931 20 0 DBADRM COc1cc(C(=O)n2[n-]c3ccnc(=O)c-3c2N)nc(OC)n1 ZINC001189100241 834047438 /nfs/dbraw/zinc/04/74/38/834047438.db2.gz MPNMXNSQLBNXQQ-UHFFFAOYSA-N -1 0 316.277 -0.246 20 0 DBADRM CO[C@@H](C)CC(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001189302807 834063073 /nfs/dbraw/zinc/06/30/73/834063073.db2.gz ZPJTWQPERLRRGI-WDEREUQCSA-N -1 0 311.386 -0.434 20 0 DBADRM CCOC(=O)c1cnc(NC(=O)c2cc(=O)n(C)c(=O)n2C)[n-]1 ZINC001189421439 834078052 /nfs/dbraw/zinc/07/80/52/834078052.db2.gz XDGXCRVQSSHONB-UHFFFAOYSA-N -1 0 321.293 -0.764 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)CC(=O)N(C)C)C2)c1[O-] ZINC001189665185 834103915 /nfs/dbraw/zinc/10/39/15/834103915.db2.gz VNMCWGLMYJFWPG-SNVBAGLBSA-N -1 0 309.370 -0.342 20 0 DBADRM NC(=O)N1CCN(C(=O)c2ccccc2S(=O)(=O)[O-])CC1 ZINC001189682195 834105000 /nfs/dbraw/zinc/10/50/00/834105000.db2.gz BIDRTNMPIPLTDN-UHFFFAOYSA-N -1 0 313.335 -0.230 20 0 DBADRM O=C(c1ccccc1S(=O)(=O)[O-])N1CC[C@@H](CO)[C@@H](O)C1 ZINC001189678384 834105053 /nfs/dbraw/zinc/10/50/53/834105053.db2.gz AGKGBAUQEJAECN-ONGXEEELSA-N -1 0 315.347 -0.251 20 0 DBADRM O=C(c1ccccc1S(=O)(=O)[O-])N1CC[C@H](O)[C@@H](CO)C1 ZINC001189679025 834105472 /nfs/dbraw/zinc/10/54/72/834105472.db2.gz KYJMQZBMVIWZLI-KOLCDFICSA-N -1 0 315.347 -0.251 20 0 DBADRM O=C(NC[C@H]1CNC(=O)CO1)c1ccccc1S(=O)(=O)[O-] ZINC001189699229 834106719 /nfs/dbraw/zinc/10/67/19/834106719.db2.gz RAGUONCKAPYVEA-MRVPVSSYSA-N -1 0 314.319 -0.822 20 0 DBADRM CNC(=O)CCCC(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001189785733 834112255 /nfs/dbraw/zinc/11/22/55/834112255.db2.gz AKKPEMJXEMWMCT-JTQLQIEISA-N -1 0 324.385 -0.541 20 0 DBADRM Cc1c(C(=O)N[C@@H]2CO[N-]C2=O)nnn1-c1ccc(F)cc1 ZINC001189935918 834128455 /nfs/dbraw/zinc/12/84/55/834128455.db2.gz DBEUTHDNRBYGSK-SNVBAGLBSA-N -1 0 305.269 -0.125 20 0 DBADRM CCc1n[nH]cc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001190148326 834142754 /nfs/dbraw/zinc/14/27/54/834142754.db2.gz YBPCIURIYCTXFL-XNCJUZBTSA-N -1 0 302.312 -0.896 20 0 DBADRM O=C1[C@H]2CN(S(=O)(=O)c3ncc[n-]3)C[C@H]2CN1CC1CC1 ZINC001190698862 834181832 /nfs/dbraw/zinc/18/18/32/834181832.db2.gz NQXLBPUIWMLCIB-MNOVXSKESA-N -1 0 310.379 -0.101 20 0 DBADRM COc1ncnc2c1CCN(S(=O)(=O)c1ncc[n-]1)CC2 ZINC001190706470 834182051 /nfs/dbraw/zinc/18/20/51/834182051.db2.gz RRKDUGGOIPLFTL-UHFFFAOYSA-N -1 0 309.351 -0.002 20 0 DBADRM CCOC(=O)C1=C(O)CCCN1S(=O)(=O)c1ncc[n-]1 ZINC001190708424 834182649 /nfs/dbraw/zinc/18/26/49/834182649.db2.gz NCUUDKAGCMDLLK-VIFPVBQESA-N -1 0 301.324 -0.305 20 0 DBADRM CCNC(=O)CO[C@@H]1CCCN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001190707601 834183096 /nfs/dbraw/zinc/18/30/96/834183096.db2.gz MEXBOYUSYUBMKV-SNVBAGLBSA-N -1 0 316.383 -0.285 20 0 DBADRM COC(=O)c1cn2c(n1)CN(S(=O)(=O)c1ncc[n-]1)CC2 ZINC001190715421 834184435 /nfs/dbraw/zinc/18/44/35/834184435.db2.gz WYWBSHTTZUGFDD-UHFFFAOYSA-N -1 0 311.323 -0.403 20 0 DBADRM CCOC(=O)C1(NS(=O)(=O)c2ncc[n-]2)CCOCC1 ZINC001190739021 834185961 /nfs/dbraw/zinc/18/59/61/834185961.db2.gz AVZPEYSXCFIYQM-UHFFFAOYSA-N -1 0 303.340 -0.200 20 0 DBADRM Cn1c(=O)ccc2c1CC[C@@H](NS(=O)(=O)c1ncc[n-]1)C2 ZINC001190739524 834186861 /nfs/dbraw/zinc/18/68/61/834186861.db2.gz LTWCKZKWNLNILK-SNVBAGLBSA-N -1 0 308.363 -0.056 20 0 DBADRM COC(=O)[C@@H](NS(=O)(=O)c1ncc[n-]1)C1CCOCC1 ZINC001190744508 834187722 /nfs/dbraw/zinc/18/77/22/834187722.db2.gz FMMIVQCLCPAMPQ-VIFPVBQESA-N -1 0 303.340 -0.344 20 0 DBADRM CC(C)[C@H](NS(=O)(=O)c1ncc[n-]1)C(=O)N1CCOCC1 ZINC001190748841 834187750 /nfs/dbraw/zinc/18/77/50/834187750.db2.gz JUWZKVIDIXOIIE-JTQLQIEISA-N -1 0 316.383 -0.429 20 0 DBADRM O=S(=O)(N[C@@H](Cc1ccc(O)cc1)C(O)O)c1ncc[n-]1 ZINC001190749098 834187803 /nfs/dbraw/zinc/18/78/03/834187803.db2.gz QZROYDJUBWFAGS-JTQLQIEISA-N -1 0 313.335 -0.684 20 0 DBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1cnc(=O)[nH]c1 ZINC001191180192 834229388 /nfs/dbraw/zinc/22/93/88/834229388.db2.gz JZUUJGPAVOLRIR-UHFFFAOYSA-N -1 0 320.286 -0.133 20 0 DBADRM COCC1(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001191367987 834246813 /nfs/dbraw/zinc/24/68/13/834246813.db2.gz FIBKDJRVKNFXPW-JTQLQIEISA-N -1 0 309.370 -0.030 20 0 DBADRM C[C@H](CC(N)=O)C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001191746329 834286246 /nfs/dbraw/zinc/28/62/46/834286246.db2.gz SRCKRTFEPWFUOA-RKDXNWHRSA-N -1 0 310.358 -0.946 20 0 DBADRM NC(=O)c1nc(C[N-]S(=O)(=O)C(Cl)(Cl)Cl)no1 ZINC001192042413 834321171 /nfs/dbraw/zinc/32/11/71/834321171.db2.gz CWOWGPSISBVFQG-UHFFFAOYSA-N -1 0 323.545 -0.084 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1cccnc1OC1CCOCC1 ZINC001192137562 834334039 /nfs/dbraw/zinc/33/40/39/834334039.db2.gz RJPRVAMSECQRJF-UHFFFAOYSA-N -1 0 304.310 -0.163 20 0 DBADRM NC(=O)C1(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)CC1 ZINC001192149926 834335288 /nfs/dbraw/zinc/33/52/88/834335288.db2.gz CLXXXHSIXCAFJE-UHFFFAOYSA-N -1 0 312.347 0.000 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1cccnc1OC1CCOCC1 ZINC001192150644 834336421 /nfs/dbraw/zinc/33/64/21/834336421.db2.gz DBNALAHWFDYGJH-LLVKDONJSA-N -1 0 307.306 -0.201 20 0 DBADRM O=C(N[C@H]1SC(=O)[N-]C1=O)c1cc(N2CCOCC2)ccn1 ZINC001192258842 834346571 /nfs/dbraw/zinc/34/65/71/834346571.db2.gz GFLSJROTYBUXBF-LBPRGKRZSA-N -1 0 322.346 -0.043 20 0 DBADRM Cn1nncc1CN1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001238161845 834348658 /nfs/dbraw/zinc/34/86/58/834348658.db2.gz ANKQWLWXAJNRRW-UHFFFAOYSA-N -1 0 317.415 -0.399 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CNCCC1=O ZINC001238624754 834358101 /nfs/dbraw/zinc/35/81/01/834358101.db2.gz BYSKRPHWBAQXHD-JTQLQIEISA-N -1 0 312.347 -0.097 20 0 DBADRM COC(=O)c1ccc([O-])c(C(=O)NC[C@H]2CNC(=O)CO2)c1 ZINC001192395379 834369351 /nfs/dbraw/zinc/36/93/51/834369351.db2.gz GLQGHDHJJSVUOT-SECBINFHSA-N -1 0 308.290 -0.576 20 0 DBADRM NS(=O)(=O)c1cnc(-c2cnn(CC(=O)[O-])c2)c(F)c1 ZINC001242184274 834402812 /nfs/dbraw/zinc/40/28/12/834402812.db2.gz MMALCCYNKHCLTB-UHFFFAOYSA-N -1 0 300.271 -0.184 20 0 DBADRM N[C@@H](Cc1cc(=O)n(C(=O)CO)[n-]1)C(=O)OCc1ccccc1 ZINC001245952605 834405006 /nfs/dbraw/zinc/40/50/06/834405006.db2.gz FAHHEHIUGIBHCN-LBPRGKRZSA-N -1 0 319.317 -0.166 20 0 DBADRM O=C1CO[C@H](CNS(=O)(=O)c2cnccc2Cl)CN1 ZINC001192912771 834441485 /nfs/dbraw/zinc/44/14/85/834441485.db2.gz KVIICHRVTCDTPT-ZETCQYMHSA-N -1 0 305.743 -0.472 20 0 DBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cnc(C(N)=O)cn1 ZINC001193017385 834453756 /nfs/dbraw/zinc/45/37/56/834453756.db2.gz XEKCXIBVDOQEBI-UHFFFAOYSA-N -1 0 316.339 -0.341 20 0 DBADRM Cn1[n-]nnc1=NC(=S)NCCNC(=O)OC(C)(C)C ZINC001248011655 834473492 /nfs/dbraw/zinc/47/34/92/834473492.db2.gz GSDVLEAYPMDTOQ-UHFFFAOYSA-N -1 0 301.376 -0.557 20 0 DBADRM O=C([O-])C[C@@H](O)C(=O)N1C[C@H](c2ccccc2)CS1(=O)=O ZINC001250404198 834478804 /nfs/dbraw/zinc/47/88/04/834478804.db2.gz VAPDCXIHEFNWQJ-WDEREUQCSA-N -1 0 313.331 -0.222 20 0 DBADRM O=S(=O)(C[C@H]1CCCO1)[N-][C@H]1COCCC12OCCO2 ZINC001193289717 834481629 /nfs/dbraw/zinc/48/16/29/834481629.db2.gz OJYRJXMHQCQVRI-MNOVXSKESA-N -1 0 307.368 -0.383 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]CCOCC(=O)OC ZINC001193360601 834488426 /nfs/dbraw/zinc/48/84/26/834488426.db2.gz GTEZYQGEEHGIFS-UHFFFAOYSA-N -1 0 316.401 -0.482 20 0 DBADRM CN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)[N-]C(N)=O)cc1 ZINC001251093565 834494285 /nfs/dbraw/zinc/49/42/85/834494285.db2.gz AYSJTKFFQJLNHC-UHFFFAOYSA-N -1 0 322.368 -0.738 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@](O)(CNCS(=O)(=O)[O-])C1 ZINC001251453894 834498710 /nfs/dbraw/zinc/49/87/10/834498710.db2.gz XLCCYLKAYHERGU-NSHDSACASA-N -1 0 310.372 -0.207 20 0 DBADRM CS(=O)(=O)N1C[C@H]2CCCN(C(=O)c3cc(=O)[nH][n-]3)[C@H]2C1 ZINC001193465027 834499036 /nfs/dbraw/zinc/49/90/36/834499036.db2.gz CMURSUQIBXXRFS-SCZZXKLOSA-N -1 0 314.367 -0.389 20 0 DBADRM Cn1ccnc1S(=O)(=O)[N-]c1cncc(N2CCOCC2)n1 ZINC001193557938 834507803 /nfs/dbraw/zinc/50/78/03/834507803.db2.gz WRLAPVFGJSLCLQ-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM C[C@H]1[C@H](NC[C@H](O)c2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001252002342 834515077 /nfs/dbraw/zinc/51/50/77/834515077.db2.gz JIJBVLAHTWGFAY-LSJOCFKGSA-N -1 0 300.336 -0.288 20 0 DBADRM CCOC[C@H](O)CNc1ccc(S(=O)(=O)[N-]C(N)=O)cc1 ZINC001252041141 834518887 /nfs/dbraw/zinc/51/88/87/834518887.db2.gz QLZSUJFXWKFEIW-SNVBAGLBSA-N -1 0 317.367 -0.147 20 0 DBADRM COC(=O)c1ncc(=O)[nH]c1[N-]S(=O)(=O)C(F)(F)F ZINC001252386481 834528300 /nfs/dbraw/zinc/52/83/00/834528300.db2.gz SLKMPEMEEDELDD-UHFFFAOYSA-N -1 0 301.202 -0.182 20 0 DBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NS(C)(=O)=O)cc1 ZINC001252733626 834551597 /nfs/dbraw/zinc/55/15/97/834551597.db2.gz SQSUPEZEONJTCJ-UHFFFAOYSA-N -1 0 306.365 -0.324 20 0 DBADRM Cn1[n-]c(C(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1=O ZINC001194188697 834575136 /nfs/dbraw/zinc/57/51/36/834575136.db2.gz DFLDGMXFEJOOMC-UHFFFAOYSA-N -1 0 317.353 -0.080 20 0 DBADRM CC(F)(F)CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001194211558 834577986 /nfs/dbraw/zinc/57/79/86/834577986.db2.gz RPXGGIQTVDDSNP-HTQZYQBOSA-N -1 0 319.312 -0.393 20 0 DBADRM Cn1c(C(=O)NC(=N)SCCS(=O)(=O)[O-])c[nH]c1=S ZINC001194256523 834581046 /nfs/dbraw/zinc/58/10/46/834581046.db2.gz ILAHZGCNXOJFPC-UHFFFAOYSA-N -1 0 324.409 -0.006 20 0 DBADRM CSCC[C@@H](NC(=O)c1ccco1)C(=O)[N-]OCC(N)=O ZINC001254103886 834586684 /nfs/dbraw/zinc/58/66/84/834586684.db2.gz AMMBBYBFWJWDQN-MRVPVSSYSA-N -1 0 315.351 -0.336 20 0 DBADRM COCCOCc1cn(CCOCCOCCC(=O)[O-])nn1 ZINC001254089106 834586747 /nfs/dbraw/zinc/58/67/47/834586747.db2.gz ULVUNQNCSVWRTL-UHFFFAOYSA-N -1 0 317.342 -0.051 20 0 DBADRM COC(=O)CCc1cn(CCOCCOCC(=O)[O-])nn1 ZINC001254090946 834587133 /nfs/dbraw/zinc/58/71/33/834587133.db2.gz XJXZCXQWKOLHPA-UHFFFAOYSA-N -1 0 301.299 -0.499 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC)[nH]n1 ZINC001194295639 834587327 /nfs/dbraw/zinc/58/73/27/834587327.db2.gz ZUUNUCKHOKSQOM-LURJTMIESA-N -1 0 313.266 -0.668 20 0 DBADRM COc1ccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c(OC)c1 ZINC001254160745 834589936 /nfs/dbraw/zinc/58/99/36/834589936.db2.gz VPNRLMKUHAHMDX-UHFFFAOYSA-N -1 0 321.293 -0.218 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)C(=O)Nc1cccc2c1OCO2 ZINC001254472086 834600416 /nfs/dbraw/zinc/60/04/16/834600416.db2.gz WGEXDLCEIDHNDC-UHFFFAOYSA-N -1 0 305.250 -0.506 20 0 DBADRM O=C1[N-]OC[C@H]1NS(=O)(=O)c1ncccc1C(F)(F)F ZINC001194578771 834612146 /nfs/dbraw/zinc/61/21/46/834612146.db2.gz SSUGIXKFZTZDLC-ZCFIWIBFSA-N -1 0 311.241 -0.191 20 0 DBADRM Cn1ncc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)c1N ZINC001255670483 834614001 /nfs/dbraw/zinc/61/40/01/834614001.db2.gz IDYXSGMGFUUCQE-UHFFFAOYSA-N -1 0 306.326 -0.098 20 0 DBADRM CCOC(=O)N1CC[C@@H](N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)C1 ZINC001256014659 834619001 /nfs/dbraw/zinc/61/90/01/834619001.db2.gz POVDQLZYTQHZGR-YIZRAAEISA-N -1 0 321.355 -0.791 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001194754031 834629263 /nfs/dbraw/zinc/62/92/63/834629263.db2.gz ANJSTRLAHFUAPM-SECBINFHSA-N -1 0 310.358 -0.931 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)C1CCC(=O)CC1 ZINC001194814907 834636445 /nfs/dbraw/zinc/63/64/45/834636445.db2.gz RGFVCWBOKGDNKD-JTQLQIEISA-N -1 0 321.351 -0.176 20 0 DBADRM C[C@@H](CNC(=O)C(=O)[N-]OC1CCOCC1)Cn1cccn1 ZINC001257242406 834648838 /nfs/dbraw/zinc/64/88/38/834648838.db2.gz UYFJGCVBFFZBJY-NSHDSACASA-N -1 0 310.354 -0.138 20 0 DBADRM NC(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195255033 834666326 /nfs/dbraw/zinc/66/63/26/834666326.db2.gz RVDVMDVTCJXUKR-UHFFFAOYSA-N -1 0 308.262 -0.183 20 0 DBADRM COC(=O)CCS(=O)(=O)CC[C@H](C)NCS(=O)(=O)[O-] ZINC001257919585 834666536 /nfs/dbraw/zinc/66/65/36/834666536.db2.gz OJZFEYQLSNHBGG-QMMMGPOBSA-N -1 0 317.385 -0.822 20 0 DBADRM CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195249593 834666935 /nfs/dbraw/zinc/66/69/35/834666935.db2.gz QWPMWRVFTYGUMS-UHFFFAOYSA-N -1 0 308.262 -0.313 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)[N-]OCc2ccccc2)CCC1=O ZINC001258409220 834682806 /nfs/dbraw/zinc/68/28/06/834682806.db2.gz YAQPQLLZWGVHCO-LBPRGKRZSA-N -1 0 305.334 -0.029 20 0 DBADRM CC(C)(C)[S@](=O)CCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001258407145 834682873 /nfs/dbraw/zinc/68/28/73/834682873.db2.gz KIYHIBPVGRRKJJ-LADRHHBVSA-N -1 0 320.411 -0.266 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCNC(=O)C1 ZINC001258452663 834684136 /nfs/dbraw/zinc/68/41/36/834684136.db2.gz LPOXLTBEJSPONZ-SSDOTTSWSA-N -1 0 306.775 -0.061 20 0 DBADRM CCOC(=O)c1ccnnc1[N-]S(=O)(=O)CC(=O)OC ZINC001259018478 834692304 /nfs/dbraw/zinc/69/23/04/834692304.db2.gz NOQGDNTZFRSFGZ-UHFFFAOYSA-N -1 0 303.296 -0.432 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1ccnc2ccc(OC)nc12 ZINC001259018721 834692580 /nfs/dbraw/zinc/69/25/80/834692580.db2.gz UQEZYTGVDRRFDR-UHFFFAOYSA-N -1 0 311.319 -0.025 20 0 DBADRM COC(=O)c1sccc1S(=O)(=O)N[C@@H]1CO[N-]C1=O ZINC001259014033 834692770 /nfs/dbraw/zinc/69/27/70/834692770.db2.gz LKHDXWGXXUNJCY-RXMQYKEDSA-N -1 0 306.321 -0.757 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1nnc2cc(OC)ccc2n1 ZINC001259018154 834692787 /nfs/dbraw/zinc/69/27/87/834692787.db2.gz WKCQDQMOXWRHBY-UHFFFAOYSA-N -1 0 312.307 -0.052 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cccnc1OC1COC1 ZINC001259018959 834693052 /nfs/dbraw/zinc/69/30/52/834693052.db2.gz MMMICIWHYXWWRA-UHFFFAOYSA-N -1 0 302.308 -0.226 20 0 DBADRM COCCOc1cnc([N-]S(=O)(=O)CC(=O)OC)cn1 ZINC001259019087 834693603 /nfs/dbraw/zinc/69/36/03/834693603.db2.gz STFPOMHZNTUXBH-UHFFFAOYSA-N -1 0 305.312 -0.584 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1cnc(N2CCOCC2)nc1 ZINC001259019283 834693653 /nfs/dbraw/zinc/69/36/53/834693653.db2.gz ZQLSOEOOYWVEPK-UHFFFAOYSA-N -1 0 316.339 -0.772 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1ccc2c(c1)OCC(=O)N2 ZINC001259024251 834695559 /nfs/dbraw/zinc/69/55/59/834695559.db2.gz HSYTVVGCWIXSOB-UHFFFAOYSA-N -1 0 300.292 -0.068 20 0 DBADRM COC(=O)CS(=O)(=O)[N-]c1ccc2c(c1)[nH]c(=O)[nH]c2=O ZINC001259026346 834696682 /nfs/dbraw/zinc/69/66/82/834696682.db2.gz QCXRTYRMTDGHNG-UHFFFAOYSA-N -1 0 313.291 -0.044 20 0 DBADRM O=C1C[C@H](C[N-]S(=O)(=O)c2c(F)cccc2F)C(=O)N1 ZINC001259071106 834698331 /nfs/dbraw/zinc/69/83/31/834698331.db2.gz DMKMSEVXPZBRIY-ZCFIWIBFSA-N -1 0 304.274 -0.094 20 0 DBADRM O=S(=O)(NC(CO)(CO)CO)c1cc(Cl)ccc1F ZINC001259460209 834704345 /nfs/dbraw/zinc/70/43/45/834704345.db2.gz QWSBWISUWJBPTJ-UHFFFAOYSA-N -1 0 313.734 -0.527 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2cc(N3CCOCC3)ncn2)cn1 ZINC001259820578 834707793 /nfs/dbraw/zinc/70/77/93/834707793.db2.gz DPJYAOSXLRFTIR-UHFFFAOYSA-N -1 0 324.366 -0.153 20 0 DBADRM O=[P@@]([O-])(O)CCNS(=O)(=O)c1ccc2c(c1)OCO2 ZINC001259851861 834711346 /nfs/dbraw/zinc/71/13/46/834711346.db2.gz MGWXNEZONZYRBX-UHFFFAOYSA-N -1 0 309.236 -0.129 20 0 DBADRM O=S(=O)([N-][C@H]1COCCC12OCCO2)C1CCOCC1 ZINC001259918220 834713342 /nfs/dbraw/zinc/71/33/42/834713342.db2.gz AXMFIZDIGUXGDJ-NSHDSACASA-N -1 0 307.368 -0.383 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cnc(C(N)=O)nc1 ZINC001260105774 834725956 /nfs/dbraw/zinc/72/59/56/834725956.db2.gz UKRHPOMCSSRLJB-UHFFFAOYSA-N -1 0 310.339 -0.273 20 0 DBADRM COC(=O)C[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260177589 834729020 /nfs/dbraw/zinc/72/90/20/834729020.db2.gz HOBJZGQTXVOJET-UHFFFAOYSA-N -1 0 305.703 -0.771 20 0 DBADRM CC[C@@H](O)C[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260177476 834729318 /nfs/dbraw/zinc/72/93/18/834729318.db2.gz FRQSZASZCBXVOO-ZCFIWIBFSA-N -1 0 305.747 -0.173 20 0 DBADRM CC(C)(O)C[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260176699 834729407 /nfs/dbraw/zinc/72/94/07/834729407.db2.gz SWLTUVXVFCCPBK-UHFFFAOYSA-N -1 0 305.747 -0.173 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)NC2CC(CO)(CO)C2)c1 ZINC001260192259 834730047 /nfs/dbraw/zinc/73/00/47/834730047.db2.gz ZRBLIEPTPOSPSE-UHFFFAOYSA-N -1 0 315.347 -0.204 20 0 DBADRM O=S(=O)([N-]CC1CC(O)C1)c1nc2nc(Cl)ccn2n1 ZINC001260178548 834730284 /nfs/dbraw/zinc/73/02/84/834730284.db2.gz GWYZWBXGACZCCI-UHFFFAOYSA-N -1 0 317.758 -0.173 20 0 DBADRM O=S(=O)([N-]CC1OCCO1)c1nc2nc(Cl)ccn2n1 ZINC001260179895 834730311 /nfs/dbraw/zinc/73/03/11/834730311.db2.gz YZJHXJNLWDCFSK-UHFFFAOYSA-N -1 0 319.730 -0.571 20 0 DBADRM O=S(=O)([N-][C@@H](CO)C1CC1)c1nc2nc(Cl)ccn2n1 ZINC001260181532 834730386 /nfs/dbraw/zinc/73/03/86/834730386.db2.gz WYRUWJPCCQWUFN-ZETCQYMHSA-N -1 0 317.758 -0.173 20 0 DBADRM O=S(=O)([N-][C@H]1[C@@H]2COC[C@@H]21)c1nc2nc(Cl)ccn2n1 ZINC001260179403 834730597 /nfs/dbraw/zinc/73/05/97/834730597.db2.gz KSPLYUCRGCDNQJ-BDINMYNLSA-N -1 0 315.742 -0.299 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)NC2CN(C3COC3)C2)c1 ZINC001260194519 834731234 /nfs/dbraw/zinc/73/12/34/834731234.db2.gz NGOPSVHYJLZHSN-UHFFFAOYSA-N -1 0 312.347 -0.254 20 0 DBADRM CCN(CCC(N)=O)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260395510 834732642 /nfs/dbraw/zinc/73/26/42/834732642.db2.gz AIPAVFKMVVCLPA-UHFFFAOYSA-N -1 0 316.335 -0.024 20 0 DBADRM CN(C[C@@H](O)CO)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260394334 834732758 /nfs/dbraw/zinc/73/27/58/834732758.db2.gz AOVRZRUPFLWTJM-SSDOTTSWSA-N -1 0 305.308 -0.936 20 0 DBADRM Cn1nnnc1CCCNS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001195882516 834734906 /nfs/dbraw/zinc/73/49/06/834734906.db2.gz PXQWTUBILBPYEL-UHFFFAOYSA-N -1 0 315.330 -0.034 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cc(C(=O)OCC)nn1C ZINC001195938743 834736754 /nfs/dbraw/zinc/73/67/54/834736754.db2.gz ACGUGETWKSSGCD-UHFFFAOYSA-N -1 0 319.339 -0.098 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1cc(=O)[nH]c(C2CC2)n1 ZINC001260583468 834736865 /nfs/dbraw/zinc/73/68/65/834736865.db2.gz DGFUGUVEVUBIEA-UHFFFAOYSA-N -1 0 307.353 -0.197 20 0 DBADRM COC(=O)c1nccnc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260583354 834736932 /nfs/dbraw/zinc/73/69/32/834736932.db2.gz AVWROLLSMABCSQ-UHFFFAOYSA-N -1 0 309.325 -0.993 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cnc(OC2COC2)nc1 ZINC001195939313 834736963 /nfs/dbraw/zinc/73/69/63/834736963.db2.gz RCOKDOBRSPZSOR-UHFFFAOYSA-N -1 0 317.323 -0.441 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1cnc(C(=O)OC)cn1 ZINC001195934785 834737134 /nfs/dbraw/zinc/73/71/34/834737134.db2.gz ZAXGNMGJBHYXFT-UHFFFAOYSA-N -1 0 303.296 -0.432 20 0 DBADRM CCOC(=O)c1ccnnc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260585047 834737421 /nfs/dbraw/zinc/73/74/21/834737421.db2.gz LYTONUSBIZFPBY-UHFFFAOYSA-N -1 0 323.352 -0.603 20 0 DBADRM CCOC(=O)CS(=O)(=O)[N-]c1ccnc(C(=O)OC)c1 ZINC001195934139 834737599 /nfs/dbraw/zinc/73/75/99/834737599.db2.gz NHQIQPMMHJNFHT-UHFFFAOYSA-N -1 0 302.308 -0.405 20 0 DBADRM COc1nc(Cl)ncc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260584716 834737626 /nfs/dbraw/zinc/73/76/26/834737626.db2.gz UXENUXQTQPZBBL-UHFFFAOYSA-N -1 0 315.760 -0.118 20 0 DBADRM COc1ncnc(Cl)c1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260584359 834737655 /nfs/dbraw/zinc/73/76/55/834737655.db2.gz XWHDNEMOZVEAGN-UHFFFAOYSA-N -1 0 315.760 -0.118 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1ccnn1Br ZINC001260584850 834737704 /nfs/dbraw/zinc/73/77/04/834737704.db2.gz COWAXWFGAUXNHF-UHFFFAOYSA-N -1 0 318.174 -0.215 20 0 DBADRM CN1CCc2ncc([N-]S(=O)(=O)CS(C)(=O)=O)cc2C1 ZINC001260584411 834737753 /nfs/dbraw/zinc/73/77/53/834737753.db2.gz ZQNKWTHMOJUFOX-UHFFFAOYSA-N -1 0 319.408 -0.187 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1cccc(F)c1C(N)=O ZINC001260591192 834740210 /nfs/dbraw/zinc/74/02/10/834740210.db2.gz XSPYFCZZGFSHRX-UHFFFAOYSA-N -1 0 310.328 -0.332 20 0 DBADRM Cc1ccc(C(N)=O)c([N-]S(=O)(=O)CS(C)(=O)=O)c1 ZINC001260591938 834740879 /nfs/dbraw/zinc/74/08/79/834740879.db2.gz UFBAUILDCHZIMO-UHFFFAOYSA-N -1 0 306.365 -0.162 20 0 DBADRM COc1cc([N-]S(=O)(=O)CS(C)(=O)=O)cc(C(N)=O)c1 ZINC001260593484 834741510 /nfs/dbraw/zinc/74/15/10/834741510.db2.gz PAQXYUUTRKILBK-UHFFFAOYSA-N -1 0 322.364 -0.462 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)NCC(=O)c1ccc(F)cc1 ZINC001260594359 834741555 /nfs/dbraw/zinc/74/15/55/834741555.db2.gz QGZCHPYZCGLALZ-UHFFFAOYSA-N -1 0 309.340 -0.070 20 0 DBADRM CS(=O)(=O)CS(=O)(=O)Nc1cccn(C(F)F)c1=O ZINC001260594674 834741575 /nfs/dbraw/zinc/74/15/75/834741575.db2.gz GEEBFXWCUQSSEP-UHFFFAOYSA-N -1 0 316.307 -0.013 20 0 DBADRM COC(=O)c1ccc(O)cc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260593630 834741580 /nfs/dbraw/zinc/74/15/80/834741580.db2.gz WJMOIERDYZKLDY-UHFFFAOYSA-N -1 0 323.348 -0.077 20 0 DBADRM CC[C@@H](C)S(=O)(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001260745371 834745646 /nfs/dbraw/zinc/74/56/46/834745646.db2.gz OYHLJKZNCODPCN-VQVTYTSYSA-N -1 0 300.358 -0.894 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)NC(C)(CO)CO)s1 ZINC001260708524 834745817 /nfs/dbraw/zinc/74/58/17/834745817.db2.gz RACFPOOURBYYGV-UHFFFAOYSA-N -1 0 309.369 -0.877 20 0 DBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@@H]2CCNC(=O)C2)s1 ZINC001260707994 834745934 /nfs/dbraw/zinc/74/59/34/834745934.db2.gz GJVPZHNKTANCBB-SSDOTTSWSA-N -1 0 318.380 -0.342 20 0 DBADRM O=S(=O)(Cc1cccc(Cl)c1)NC(CO)(CO)CO ZINC001260836061 834746646 /nfs/dbraw/zinc/74/66/46/834746646.db2.gz MFVZSWQFPABXCF-UHFFFAOYSA-N -1 0 309.771 -0.525 20 0 DBADRM CS(=O)(=O)Cc1ncccc1C(=O)NCS(=O)(=O)[O-] ZINC001196062045 834754289 /nfs/dbraw/zinc/75/42/89/834754289.db2.gz NPLCTAFAQICZOL-UHFFFAOYSA-N -1 0 308.337 -0.799 20 0 DBADRM CS(=O)(=O)Cc1ncccc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001196061372 834754320 /nfs/dbraw/zinc/75/43/20/834754320.db2.gz FAVLHMXHLNTPPF-UHFFFAOYSA-N -1 0 311.323 -0.620 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCC1(SC)CCOCC1 ZINC001261110507 834754921 /nfs/dbraw/zinc/75/49/21/834754921.db2.gz VVUCCDLRKODOOH-UHFFFAOYSA-N -1 0 306.384 -0.291 20 0 DBADRM Cn1cnnc1C1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001261488618 834793878 /nfs/dbraw/zinc/79/38/78/834793878.db2.gz VHZBXLVKZDZVRG-UHFFFAOYSA-N -1 0 323.353 -0.498 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NCC(=O)CCC(=O)[O-])nc1 ZINC001196717527 834799629 /nfs/dbraw/zinc/79/96/29/834799629.db2.gz XXFITXPAFDJXBY-UHFFFAOYSA-N -1 0 314.319 -0.351 20 0 DBADRM CCO[N-]C(=O)CNC(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC001261525923 834799778 /nfs/dbraw/zinc/79/97/78/834799778.db2.gz SDVMMWJPMGFHLG-UHFFFAOYSA-N -1 0 310.339 -0.345 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(OC)cc1C ZINC001261536452 834802716 /nfs/dbraw/zinc/80/27/16/834802716.db2.gz QUOOGHDROAVJGN-UHFFFAOYSA-N -1 0 323.349 -0.196 20 0 DBADRM Cn1cnc(NC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)n1 ZINC001261630191 834820409 /nfs/dbraw/zinc/82/04/09/834820409.db2.gz DMKNVHZACJPXKQ-UHFFFAOYSA-N -1 0 309.326 -0.143 20 0 DBADRM C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CO1 ZINC001261630414 834820557 /nfs/dbraw/zinc/82/05/57/834820557.db2.gz MDIOZVASJXGGKW-IUCAKERBSA-N -1 0 324.337 -0.065 20 0 DBADRM CN1C(=O)NC2(CCN(C(=O)[C@@H](C(=O)[O-])C3CC3)CC2)C1=O ZINC001261646048 834825757 /nfs/dbraw/zinc/82/57/57/834825757.db2.gz VSFHXLOMFWWFDM-VIFPVBQESA-N -1 0 309.322 -0.360 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](OC)CC1 ZINC001261670961 834827430 /nfs/dbraw/zinc/82/74/30/834827430.db2.gz BQKFKVPQUQMBFX-SNVBAGLBSA-N -1 0 301.343 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](OC)CC1 ZINC001261670960 834827651 /nfs/dbraw/zinc/82/76/51/834827651.db2.gz BQKFKVPQUQMBFX-JTQLQIEISA-N -1 0 301.343 -0.802 20 0 DBADRM CC[C@H](C)CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001197149040 834838042 /nfs/dbraw/zinc/83/80/42/834838042.db2.gz GBSUQIGKBREGTL-HBNTYKKESA-N -1 0 311.386 -0.002 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC001261819149 834854101 /nfs/dbraw/zinc/85/41/01/834854101.db2.gz RGZXIJWUKZAAQT-UHFFFAOYSA-N -1 0 307.306 -0.517 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2nccn2C)CC[C@H]1C(=O)[O-] ZINC001261837650 834862300 /nfs/dbraw/zinc/86/23/00/834862300.db2.gz JTQBNBGRGAJBKN-WDEREUQCSA-N -1 0 322.365 -0.052 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@]2(C(=O)[O-])CCCOC2)no1 ZINC001261843434 834862720 /nfs/dbraw/zinc/86/27/20/834862720.db2.gz HICGXUILBOSOOZ-CYBMUJFWSA-N -1 0 311.294 -0.081 20 0 DBADRM O=C(NCC1CC1)C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001197621173 834886426 /nfs/dbraw/zinc/88/64/26/834886426.db2.gz XEGIAAYBFMJVGI-UHFFFAOYSA-N -1 0 322.369 -0.929 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)c1cnc(=O)n(CC2CC2)c1 ZINC001197781725 834903764 /nfs/dbraw/zinc/90/37/64/834903764.db2.gz YACDMVGTXQWKPQ-UHFFFAOYSA-N -1 0 307.306 -0.183 20 0 DBADRM COCCOCCS(=O)(=O)[N-][C@@H](CCO)C(F)(F)F ZINC001262076821 834903846 /nfs/dbraw/zinc/90/38/46/834903846.db2.gz IDCWELYCHQKGED-QMMMGPOBSA-N -1 0 309.306 -0.118 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)Cc1ccccn1 ZINC001197838054 834909660 /nfs/dbraw/zinc/90/96/60/834909660.db2.gz GFNSIOXURHDIBX-JTQLQIEISA-N -1 0 316.335 -0.093 20 0 DBADRM COC(=O)CCN1CCN(C(=O)[C@@H](OC)C(=O)[O-])[C@@H](C)C1 ZINC001262158314 834913082 /nfs/dbraw/zinc/91/30/82/834913082.db2.gz FZJDUNXIDLULTM-GXSJLCMTSA-N -1 0 302.327 -0.818 20 0 DBADRM CCOC(=O)CN1CCCN(C(=O)[C@H](OC)C(=O)[O-])CC1 ZINC001262158772 834913564 /nfs/dbraw/zinc/91/35/64/834913564.db2.gz XMCZGYFYHXVKQA-NSHDSACASA-N -1 0 302.327 -0.817 20 0 DBADRM COCCn1c(=O)cccc1C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001198699995 834963086 /nfs/dbraw/zinc/96/30/86/834963086.db2.gz HQZPLYBYQJZKBO-NSHDSACASA-N -1 0 311.319 -0.466 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001198798770 834969104 /nfs/dbraw/zinc/96/91/04/834969104.db2.gz IKDYUMHLKSHRHO-MRVPVSSYSA-N -1 0 317.344 -0.026 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N[C@H]1COCC[C@@H]1O ZINC001198796976 834969580 /nfs/dbraw/zinc/96/95/80/834969580.db2.gz CFYXHODTRUTUAJ-UWVGGRQHSA-N -1 0 301.320 -0.187 20 0 DBADRM O=C([O-])c1ccccc1S(=O)(=O)N[C@H]1[C@H](O)CCC[C@@H]1O ZINC001198820066 834970482 /nfs/dbraw/zinc/97/04/82/834970482.db2.gz JFZULLCKEKCBCX-IAZYJMLFSA-N -1 0 315.347 -0.063 20 0 DBADRM CC[C@H](NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[C@H]1CCCO1 ZINC001263063572 834970660 /nfs/dbraw/zinc/97/06/60/834970660.db2.gz YOLUZAVZVJRQPM-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM CCC(C)(CC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001198842900 834972824 /nfs/dbraw/zinc/97/28/24/834972824.db2.gz ZZSPUTHBLSXSEE-NXEZZACHSA-N -1 0 311.386 -0.002 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CCC[C@H](OC3CCC3)C2)C[NH2+]CCO1 ZINC001263152526 834973797 /nfs/dbraw/zinc/97/37/97/834973797.db2.gz LMXKZPCELOAUFA-WFASDCNBSA-N -1 0 312.366 -0.010 20 0 DBADRM O=C(NCc1nnn[n-]1)c1cnc(OCC2CCOCC2)nc1 ZINC001198937015 834978203 /nfs/dbraw/zinc/97/82/03/834978203.db2.gz QZIWDPNCPYFPDQ-UHFFFAOYSA-N -1 0 319.325 -0.275 20 0 DBADRM COCCOc1cnc(C(=O)NC2C(=O)N=CN=C2[O-])cn1 ZINC001199125170 834989158 /nfs/dbraw/zinc/98/91/58/834989158.db2.gz BRHSTRREXCQZOP-UHFFFAOYSA-N -1 0 307.266 -0.045 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1nccc(OCC2CCOCC2)n1 ZINC001199170079 834994697 /nfs/dbraw/zinc/99/46/97/834994697.db2.gz AHXBHSAGTUBIOL-UHFFFAOYSA-N -1 0 319.325 -0.520 20 0 DBADRM O=C(N[C@@H]1CO[N-]C1=O)c1nccc(OCC2CCOCC2)n1 ZINC001199175924 834994769 /nfs/dbraw/zinc/99/47/69/834994769.db2.gz FYAHJOBLOFRVLS-SNVBAGLBSA-N -1 0 322.321 -0.558 20 0 DBADRM O=C(NCS(=O)(=O)[O-])c1ncccc1N1CCOCC1 ZINC001199280011 835007410 /nfs/dbraw/zinc/00/74/10/835007410.db2.gz IYRNYUYNZCTWRD-UHFFFAOYSA-N -1 0 301.324 -0.507 20 0 DBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ncccc1N1CCOCC1 ZINC001199281144 835007454 /nfs/dbraw/zinc/00/74/54/835007454.db2.gz TVVZTQBVMWHKEL-UHFFFAOYSA-N -1 0 304.310 -0.328 20 0 DBADRM CN(CCOCCN(C)C(=O)C(F)F)Cc1n[nH]c(=O)[n-]1 ZINC001264102020 835010777 /nfs/dbraw/zinc/01/07/77/835010777.db2.gz GBDIPQNXCXFLBO-UHFFFAOYSA-N -1 0 307.301 -0.318 20 0 DBADRM O=C([O-])CCC(=O)CNC(=O)c1cn(-c2ncccn2)cn1 ZINC001199555413 835034239 /nfs/dbraw/zinc/03/42/39/835034239.db2.gz BPXXUTOALMVEIG-UHFFFAOYSA-N -1 0 303.278 -0.174 20 0 DBADRM Cc1c(Cl)onc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001199675726 835045009 /nfs/dbraw/zinc/04/50/09/835045009.db2.gz XBOFWFAEULGUIX-NJGYIYPDSA-N -1 0 323.714 -0.232 20 0 DBADRM CN(CCCNC(=O)C[C@@H]1CCC(=O)NC1)Cc1n[nH]c(=O)[n-]1 ZINC001264994669 835063749 /nfs/dbraw/zinc/06/37/49/835063749.db2.gz FPOCHQKMDJBPCN-JTQLQIEISA-N -1 0 324.385 -0.635 20 0 DBADRM O=C1[N-]C(=O)[C@H](NC(=S)NCCN2CCOCC2)S1 ZINC001200132640 835097577 /nfs/dbraw/zinc/09/75/77/835097577.db2.gz JDAZHTYJZABCNH-MRVPVSSYSA-N -1 0 304.397 -0.908 20 0 DBADRM CC[C@@]1(C(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001265864346 835186633 /nfs/dbraw/zinc/18/66/33/835186633.db2.gz FSUBYGOKHFSZDB-AWEZNQCLSA-N -1 0 324.385 -0.635 20 0 DBADRM COC(=O)CCCS(=O)(=O)[N-]c1cccnc1C(N)=O ZINC001201905386 835217800 /nfs/dbraw/zinc/21/78/00/835217800.db2.gz SNHBSCUVPQGKLN-UHFFFAOYSA-N -1 0 301.324 -0.125 20 0 DBADRM CNC(=O)c1nccnc1[N-]S(=O)(=O)CCCC(=O)OC ZINC001201905104 835217926 /nfs/dbraw/zinc/21/79/26/835217926.db2.gz YURLXAVSWDBWOX-UHFFFAOYSA-N -1 0 316.339 -0.469 20 0 DBADRM CC(C)(CO)CO[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001205795384 835360173 /nfs/dbraw/zinc/36/01/73/835360173.db2.gz MZZWFLIWROEMAJ-LLVKDONJSA-N -1 0 311.400 -0.390 20 0 DBADRM Cc1cc(CNCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001266761803 835379397 /nfs/dbraw/zinc/37/93/97/835379397.db2.gz PQKWXVZDYCMQFR-UHFFFAOYSA-N -1 0 308.298 -0.559 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C[C@](C)(O)C1CC1 ZINC001206884033 835423141 /nfs/dbraw/zinc/42/31/41/835423141.db2.gz WARVKPYJLZFXDL-OSQNNJELSA-N -1 0 323.397 -0.002 20 0 DBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCn1ccnn1 ZINC001206906762 835432529 /nfs/dbraw/zinc/43/25/29/835432529.db2.gz YQHXXCJTGDVYCF-NXEZZACHSA-N -1 0 320.357 -0.871 20 0 DBADRM CNC(=O)C1(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001267632970 835545804 /nfs/dbraw/zinc/54/58/04/835545804.db2.gz XQLJHKBRRXHQCH-VIFPVBQESA-N -1 0 322.369 -0.883 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC=CCNCc1nccs1 ZINC001268619807 835756341 /nfs/dbraw/zinc/75/63/41/835756341.db2.gz ULUDZXQTWNTVEY-UPHRSURJSA-N -1 0 324.366 -0.392 20 0 DBADRM C/C=C/C(=O)N1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001268865507 835829020 /nfs/dbraw/zinc/82/90/20/835829020.db2.gz UYDPVPBBPNFCBP-ONEGZZNKSA-N -1 0 302.298 -0.974 20 0 DBADRM C/C=C/C(=O)N1CCc2cc(C(=O)N=c3nn[n-]n3C)[nH]c2C1 ZINC001268865138 835829192 /nfs/dbraw/zinc/82/91/92/835829192.db2.gz QXXQTTBQHFYWRT-ONEGZZNKSA-N -1 0 315.337 -0.327 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@@H]2COc3ccccc3O2)nn1 ZINC000321628932 970790546 /nfs/dbraw/zinc/79/05/46/970790546.db2.gz SWNQAPCGORRFNQ-LBPRGKRZSA-N -1 0 318.289 -0.068 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)c1ccc(-n2cncn2)nc1 ZINC000321796650 970808840 /nfs/dbraw/zinc/80/88/40/970808840.db2.gz VRLXXGPJLOWFJF-LLVKDONJSA-N -1 0 317.305 -0.022 20 0 DBADRM N#Cc1ccc(NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000321942209 970828619 /nfs/dbraw/zinc/82/86/19/970828619.db2.gz BOCVNPJMADVPOP-LBPRGKRZSA-N -1 0 316.317 -0.228 20 0 DBADRM CNC(=O)C[C@H](C)NS(=O)(=O)c1scnc1C(=O)[O-] ZINC000322564233 970903847 /nfs/dbraw/zinc/90/38/47/970903847.db2.gz XVGQLIIYAJALTR-YFKPBYRVSA-N -1 0 307.353 -0.356 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cnn(CC(=O)NC3CC3)c2)O1 ZINC000322882539 970939397 /nfs/dbraw/zinc/93/93/97/970939397.db2.gz KMSWKKIZJYSDHD-MNOVXSKESA-N -1 0 322.321 -0.268 20 0 DBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)N[C@@H]2CNC(=O)C2)cc1 ZINC000323216099 970977292 /nfs/dbraw/zinc/97/72/92/970977292.db2.gz OVQQMTGCRJZCKD-JTQLQIEISA-N -1 0 320.305 -0.489 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NN2CCCNC2=O)c1 ZINC001601615072 971029775 /nfs/dbraw/zinc/02/97/75/971029775.db2.gz DNMNYOAJLNGUAP-UHFFFAOYSA-N -1 0 306.278 -0.230 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N(CCO)CC(F)F)C1 ZINC001602212010 971174537 /nfs/dbraw/zinc/17/45/37/971174537.db2.gz GSYWKXVLEAWZFW-QMMMGPOBSA-N -1 0 308.281 -0.604 20 0 DBADRM CC(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nnn[n-]3)n1)C2 ZINC001573492586 946292479 /nfs/dbraw/zinc/29/24/79/946292479.db2.gz DQPIHWBTOKDKKN-UHFFFAOYSA-N -1 0 314.353 -0.062 20 0 DBADRM CC(=O)NC[C@H](CO)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001573528011 946652786 /nfs/dbraw/zinc/65/27/86/946652786.db2.gz PECNZOXXAKIUAP-RXMQYKEDSA-N -1 0 317.762 -0.115 20 0 DBADRM C[C@@H](C(=O)N1CC[C@H](CCCO)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573615788 947613314 /nfs/dbraw/zinc/61/33/14/947613314.db2.gz KNLDFCQBIDJMMI-UWVGGRQHSA-N -1 0 320.357 -0.360 20 0 DBADRM C[C@@H](C(=O)NC1(CF)CCOCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001573658615 948009603 /nfs/dbraw/zinc/00/96/03/948009603.db2.gz SOPDGZRXBUNCEL-QMMMGPOBSA-N -1 0 324.320 -0.346 20 0 DBADRM C[C@@H](C(=O)NCC[C@@H](O)C(F)F)n1cnc(-c2nnn[n-]2)n1 ZINC001573705238 948396035 /nfs/dbraw/zinc/39/60/35/948396035.db2.gz DPTRZNVBBFXPFQ-NTSWFWBYSA-N -1 0 316.272 -0.849 20 0 DBADRM C[C@@H](C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1)C1CC1 ZINC001573718789 948520771 /nfs/dbraw/zinc/52/07/71/948520771.db2.gz SWPAZNXEAXIACL-MRVPVSSYSA-N -1 0 302.342 -0.347 20 0 DBADRM C[C@H](C(=O)NCc1ccc[nH]c1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001573729132 948564882 /nfs/dbraw/zinc/56/48/82/948564882.db2.gz HGGJWJJEAIKZRG-SSDOTTSWSA-N -1 0 315.297 -0.564 20 0 DBADRM C[C@@H](C(=O)NCc1cccc(=O)[nH]1)n1cnc(-c2nnn[n-]2)n1 ZINC001573729722 948571890 /nfs/dbraw/zinc/57/18/90/948571890.db2.gz JRYJUZMQCRDHHF-ZETCQYMHSA-N -1 0 315.297 -0.564 20 0 DBADRM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001570919453 948589128 /nfs/dbraw/zinc/58/91/28/948589128.db2.gz VDFAWBKNQHKVDT-MGCOHNPYSA-N -1 0 314.353 -0.062 20 0 DBADRM OC[C@@H](Cc1ccc(O)cc1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001570920670 948605442 /nfs/dbraw/zinc/60/54/42/948605442.db2.gz YPMCAMLUSSNZHP-SNVBAGLBSA-N -1 0 313.321 -0.200 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CC[C@@H](C(N)=O)C1 ZINC001570920831 948608267 /nfs/dbraw/zinc/60/82/67/948608267.db2.gz DNWDTCZWICIGSV-SSDOTTSWSA-N -1 0 317.309 -0.777 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001570921153 948615077 /nfs/dbraw/zinc/61/50/77/948615077.db2.gz PHXUTNKGFUHKBP-ZETCQYMHSA-N -1 0 317.309 -0.764 20 0 DBADRM NC(=O)CCNC(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001570921250 948617450 /nfs/dbraw/zinc/61/74/50/948617450.db2.gz SIKXCMWMULHUBU-UHFFFAOYSA-N -1 0 316.734 -0.027 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N[C@@]1(C)CCNC1=O ZINC001570921393 948620774 /nfs/dbraw/zinc/62/07/74/948620774.db2.gz YFFCZIYAEQIKKJ-ZDUSSCGKSA-N -1 0 317.309 -0.716 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)Cc1noc(C)c1-c1nn[nH]n1)C(N)=O ZINC001570922075 948633673 /nfs/dbraw/zinc/63/36/73/948633673.db2.gz DYYJEXRBYFWGCK-KGFZYKRKSA-N -1 0 321.341 -0.278 20 0 DBADRM COC[C@]1(C)CCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001570923068 948655394 /nfs/dbraw/zinc/65/53/94/948655394.db2.gz SYHVKQNBSHXXGR-NOZJJQNGSA-N -1 0 320.357 -0.096 20 0 DBADRM COC[C@@]1(C)CCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001570923071 948655469 /nfs/dbraw/zinc/65/54/69/948655469.db2.gz SYHVKQNBSHXXGR-ZANVPECISA-N -1 0 320.357 -0.096 20 0 DBADRM CN(C(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCC[C@H]1O ZINC001570923232 948658442 /nfs/dbraw/zinc/65/84/42/948658442.db2.gz VPVIICXCKDFESF-RKDXNWHRSA-N -1 0 321.345 -0.987 20 0 DBADRM C[C@@H](C(=O)N[C@]12CCC[C@H]1OCC2)n1cnc(-c2nnn[n-]2)n1 ZINC001573755357 948764533 /nfs/dbraw/zinc/76/45/33/948764533.db2.gz CDCZURZVVHWKLM-RWEMILLDSA-N -1 0 318.341 -0.153 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001589555061 948782599 /nfs/dbraw/zinc/78/25/99/948782599.db2.gz DZPWCACMZMMERP-VIFPVBQESA-N -1 0 315.351 -0.163 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@H](CC)C(=O)[O-] ZINC001589555506 948789734 /nfs/dbraw/zinc/78/97/34/948789734.db2.gz UYEDXRZXEOJVSN-DTWKUNHWSA-N -1 0 309.388 -0.276 20 0 DBADRM Cn1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)c(Cl)n1 ZINC001570930234 948808343 /nfs/dbraw/zinc/80/83/43/948808343.db2.gz GXWYTBVGJJIWKD-UHFFFAOYSA-N -1 0 322.720 -0.725 20 0 DBADRM Cc1nn(C)cc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001570930899 948825881 /nfs/dbraw/zinc/82/58/81/948825881.db2.gz HYXBHPRMVVQVLD-UHFFFAOYSA-N -1 0 323.338 -0.020 20 0 DBADRM C[C@]1(F)CCCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001570930920 948826812 /nfs/dbraw/zinc/82/68/12/948826812.db2.gz IFOLVPDMMKSNGD-LBPRGKRZSA-N -1 0 323.336 -0.008 20 0 DBADRM NC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000037655627 948837600 /nfs/dbraw/zinc/83/76/00/948837600.db2.gz SUUDXICHMHDYBI-SNVBAGLBSA-N -1 0 319.383 -0.775 20 0 DBADRM NC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000037655626 948837895 /nfs/dbraw/zinc/83/78/95/948837895.db2.gz SUUDXICHMHDYBI-JTQLQIEISA-N -1 0 319.383 -0.775 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCCCn2ccnc2)CC1 ZINC000037656297 948838330 /nfs/dbraw/zinc/83/83/30/948838330.db2.gz SZCSXJQEVXAZAA-UHFFFAOYSA-N -1 0 316.383 -0.096 20 0 DBADRM CN(Cc1cnn(C)c1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037831465 948843776 /nfs/dbraw/zinc/84/37/76/948843776.db2.gz RHGHHFOXADANIB-UHFFFAOYSA-N -1 0 316.383 -0.107 20 0 DBADRM C[C@@H](CN(C)C(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000042699652 948877065 /nfs/dbraw/zinc/87/70/65/948877065.db2.gz VOZBCRFTCOJYBK-VIFPVBQESA-N -1 0 306.384 -0.163 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c1 ZINC000342560218 971519172 /nfs/dbraw/zinc/51/91/72/971519172.db2.gz HPRTVTPOCFNOEJ-NSHDSACASA-N -1 0 322.317 -0.134 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)[C@H](C)C(=O)N(C)C)c1[O-] ZINC001485293959 1013090911 /nfs/dbraw/zinc/09/09/11/1013090911.db2.gz NOTPKYOQCNXQLF-WCBMZHEXSA-N -1 0 311.386 -0.049 20 0 DBADRM CC1(C(=O)[O-])CCN(C(=O)NCCCS(N)(=O)=O)CC1 ZINC000062843860 948953754 /nfs/dbraw/zinc/95/37/54/948953754.db2.gz SFOVSKWKBPRGPK-UHFFFAOYSA-N -1 0 307.372 -0.439 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC000080669952 949011467 /nfs/dbraw/zinc/01/14/67/949011467.db2.gz XYLVKWFLDYUFTD-ZETCQYMHSA-N -1 0 302.312 -0.530 20 0 DBADRM CC(C)C1(NC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC1 ZINC001574091628 949021408 /nfs/dbraw/zinc/02/14/08/949021408.db2.gz PJYGKRKTAQTDOP-UHFFFAOYSA-N -1 0 319.325 -0.566 20 0 DBADRM O=C([O-])CCNC(=O)c1ccc(NC(=O)Cn2cnnn2)cc1 ZINC000362754064 971537491 /nfs/dbraw/zinc/53/74/91/971537491.db2.gz WRNWBHHXVQWBAT-UHFFFAOYSA-N -1 0 318.293 -0.484 20 0 DBADRM CC[C@@H](CNC(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000087508702 949089845 /nfs/dbraw/zinc/08/98/45/949089845.db2.gz ODMJUJRVHZLRHP-QMMMGPOBSA-N -1 0 309.388 -0.276 20 0 DBADRM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1ncn(C)n1 ZINC001575250379 949114529 /nfs/dbraw/zinc/11/45/29/949114529.db2.gz FVKHKARLHDLVHJ-BQBZGAKWSA-N -1 0 317.317 -0.975 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1ncnn1C ZINC001575251488 949140392 /nfs/dbraw/zinc/14/03/92/949140392.db2.gz NRZFKIFFTHWDMI-RQJHMYQMSA-N -1 0 317.317 -0.975 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000097090514 949204181 /nfs/dbraw/zinc/20/41/81/949204181.db2.gz IRCYRIXOFOXFEX-AEJSXWLSSA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])c1ccc(/C=C\C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)o1 ZINC001595225367 949284469 /nfs/dbraw/zinc/28/44/69/949284469.db2.gz LGVUDKQOSLGMIE-FIFYQCSRSA-N -1 0 320.301 -0.300 20 0 DBADRM CC[C@]1(C)NC(=O)N(NC(=O)c2cc(C(=O)[O-])nn2C)C1=O ZINC001589611131 949325160 /nfs/dbraw/zinc/32/51/60/949325160.db2.gz XFJQNOFIFPLCEM-LBPRGKRZSA-N -1 0 309.282 -0.516 20 0 DBADRM C[S@@](=O)CCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000134159661 949331148 /nfs/dbraw/zinc/33/11/48/949331148.db2.gz GZKROHYGSZTJLT-SFHVURJKSA-N -1 0 312.413 -0.614 20 0 DBADRM CC[C@]1(O)CCCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC001589612985 949341157 /nfs/dbraw/zinc/34/11/57/949341157.db2.gz DMKORQRUONITJC-HZMBPMFUSA-N -1 0 300.355 -0.071 20 0 DBADRM CC1=NO[C@H](CNS(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001575863797 949356098 /nfs/dbraw/zinc/35/60/98/949356098.db2.gz FNZCRGHJDLZCAT-QMMMGPOBSA-N -1 0 323.338 -0.295 20 0 DBADRM CC1=NO[C@@H](CNS(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001575863796 949357139 /nfs/dbraw/zinc/35/71/39/949357139.db2.gz FNZCRGHJDLZCAT-MRVPVSSYSA-N -1 0 323.338 -0.295 20 0 DBADRM CCC1(CC)CNC(=O)[C@@H]1NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001589615352 949360203 /nfs/dbraw/zinc/36/02/03/949360203.db2.gz KHAHCZGHTMMUAH-JTQLQIEISA-N -1 0 309.326 -0.603 20 0 DBADRM C[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001575865509 949376404 /nfs/dbraw/zinc/37/64/04/949376404.db2.gz APXUJLDQTTZKAI-JGVFFNPUSA-N -1 0 313.339 -0.149 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@H]2CCS(=O)(=O)C2)CCOCC1 ZINC000165935090 949439106 /nfs/dbraw/zinc/43/91/06/949439106.db2.gz JQAFUCCGEWXXFU-VIFPVBQESA-N -1 0 305.352 -0.581 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001589624364 949455806 /nfs/dbraw/zinc/45/58/06/949455806.db2.gz HFNJWVYPBOAFJJ-SECBINFHSA-N -1 0 310.310 -0.456 20 0 DBADRM CC[C@@H]1CN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C[C@@H](C)[S@@]1=O ZINC001589624909 949463713 /nfs/dbraw/zinc/46/37/13/949463713.db2.gz PGXPJSJJIFZNIT-AZCOFKAJSA-N -1 0 302.352 -0.026 20 0 DBADRM CC(C)(C)C(=O)NC[C@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001573804245 949466416 /nfs/dbraw/zinc/46/64/16/949466416.db2.gz UBKUZFCUCPETDY-MRVPVSSYSA-N -1 0 320.357 -0.986 20 0 DBADRM CCCC(=O)NC1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001589628024 949518765 /nfs/dbraw/zinc/51/87/65/949518765.db2.gz BMBOHODKPWRNEJ-UHFFFAOYSA-N -1 0 320.411 -0.134 20 0 DBADRM CCC[C@H](C(=O)NCC1(C(=O)[O-])CCOCC1)S(N)(=O)=O ZINC001589630545 949529654 /nfs/dbraw/zinc/52/96/54/949529654.db2.gz HXIFKOKAXMQMDE-SECBINFHSA-N -1 0 322.383 -0.559 20 0 DBADRM CN(C)CCN(CC(=O)[O-])C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000225912866 949580772 /nfs/dbraw/zinc/58/07/72/949580772.db2.gz TZHHWVQZGPXDAI-JTQLQIEISA-N -1 0 306.384 -0.714 20 0 DBADRM CCC[C@](C)(O)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589634590 949597251 /nfs/dbraw/zinc/59/72/51/949597251.db2.gz PVYVEHCRZKPHEK-LBPRGKRZSA-N -1 0 321.395 -0.067 20 0 DBADRM CCC[C@@H](O)CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589634694 949599680 /nfs/dbraw/zinc/59/96/80/949599680.db2.gz WARZLBJYJLPRDG-MNOVXSKESA-N -1 0 315.370 -0.088 20 0 DBADRM CCC[C@H](OCC)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001589635067 949606554 /nfs/dbraw/zinc/60/65/54/949606554.db2.gz AOJJFBFHGOJMEY-ZJUUUORDSA-N -1 0 307.368 -0.098 20 0 DBADRM CCC[C@H](OCC)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001589635065 949606785 /nfs/dbraw/zinc/60/67/85/949606785.db2.gz AOJJFBFHGOJMEY-UWVGGRQHSA-N -1 0 307.368 -0.098 20 0 DBADRM CCC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)CCO1 ZINC001589639417 949660731 /nfs/dbraw/zinc/66/07/31/949660731.db2.gz WUVMXMQPGLCTGW-SNVBAGLBSA-N -1 0 324.337 -0.066 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@@H]1O ZINC000230232918 949672801 /nfs/dbraw/zinc/67/28/01/949672801.db2.gz CIIRAEZYKTXUEC-KOLCDFICSA-N -1 0 306.384 -0.270 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCN(c3nc[nH]n3)CC2)cn1 ZINC001595268037 949780736 /nfs/dbraw/zinc/78/07/36/949780736.db2.gz OUKNDXVFPFFXQU-UHFFFAOYSA-N -1 0 303.282 -0.745 20 0 DBADRM CCCN(C(=O)c1cc(C(=O)[O-])nn1C)[C@H]1CC(=O)N(C)C1=O ZINC001589659142 949837825 /nfs/dbraw/zinc/83/78/25/949837825.db2.gz FWHXJNGJJUFYIH-JTQLQIEISA-N -1 0 322.321 -0.272 20 0 DBADRM O=C([O-])c1cncc(NC(=O)c2cnn(C[C@@H](O)CO)c2)c1 ZINC001595272828 949854488 /nfs/dbraw/zinc/85/44/88/949854488.db2.gz WQEPEMGZRFTHRS-LLVKDONJSA-N -1 0 306.278 -0.418 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CC1 ZINC000379210442 971615166 /nfs/dbraw/zinc/61/51/66/971615166.db2.gz NBYOCJDWKUGCTB-ZJUUUORDSA-N -1 0 313.354 -0.348 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)c1cnn(C)c1Br)C(=O)[O-] ZINC000379225132 971618002 /nfs/dbraw/zinc/61/80/02/971618002.db2.gz WDRFYFHDEREZTN-XINAWCOVSA-N -1 0 306.116 -0.254 20 0 DBADRM CCCN1C[C@@H](Cn2nnnc2N2CC[C@@H](C(=O)[O-])C2)CC1=O ZINC001589673560 949957519 /nfs/dbraw/zinc/95/75/19/949957519.db2.gz LELOFUYJOKBLNX-WDEREUQCSA-N -1 0 322.369 -0.158 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC001595282444 949982287 /nfs/dbraw/zinc/98/22/87/949982287.db2.gz JYIVPEVEGBGJQQ-KHQFGBGNSA-N -1 0 302.352 -0.468 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001595284808 949998995 /nfs/dbraw/zinc/99/89/95/949998995.db2.gz FTQOXMIASUKBPY-NXEZZACHSA-N -1 0 305.290 -0.754 20 0 DBADRM O=C([O-])C(=O)COC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC001595284887 949999852 /nfs/dbraw/zinc/99/98/52/949999852.db2.gz HFEBFADDCXUIQC-SNVBAGLBSA-N -1 0 319.269 -0.298 20 0 DBADRM CCCOC(=O)CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589677500 950016588 /nfs/dbraw/zinc/01/65/88/950016588.db2.gz MHTSTRUBTNZLLO-SNVBAGLBSA-N -1 0 314.338 -0.231 20 0 DBADRM O=C(C[C@@H]1CC(=O)NC1=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001595286241 950033317 /nfs/dbraw/zinc/03/33/17/950033317.db2.gz WEIYKMNKJQWQDW-ZCFIWIBFSA-N -1 0 322.277 -0.897 20 0 DBADRM O=C([O-])[C@H](Cc1ccccc1)NCC(=O)N1CCNC(=O)C1 ZINC001595287709 950052816 /nfs/dbraw/zinc/05/28/16/950052816.db2.gz NRFZWGRLVVISEF-LBPRGKRZSA-N -1 0 305.334 -0.770 20 0 DBADRM O=C([O-])C1(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)CC=CC1 ZINC001595292462 950081095 /nfs/dbraw/zinc/08/10/95/950081095.db2.gz PJVQKIJPINVERO-BJOHPYRUSA-N -1 0 321.333 -0.098 20 0 DBADRM O=C([O-])C1(C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)CCOCC1 ZINC001595294797 950106038 /nfs/dbraw/zinc/10/60/38/950106038.db2.gz DVCDROBIHZSXSA-ZJUUUORDSA-N -1 0 312.322 -0.175 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc2c(c1)C(=O)NCCO2 ZINC001595294970 950107820 /nfs/dbraw/zinc/10/78/20/950107820.db2.gz JGBRDFFPQIZRIF-NSHDSACASA-N -1 0 320.301 -0.266 20 0 DBADRM O=C([O-])C1(C(=O)NCCc2nnc3n2CCNC3=O)CC=CC1 ZINC001595295135 950112692 /nfs/dbraw/zinc/11/26/92/950112692.db2.gz SOOIDZWZDSACDB-UHFFFAOYSA-N -1 0 319.321 -0.899 20 0 DBADRM O=C([O-])C1(CNC(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)CCOCC1 ZINC001595296082 950141379 /nfs/dbraw/zinc/14/13/79/950141379.db2.gz SDQCGUXVDNPMBW-UWVGGRQHSA-N -1 0 312.322 -0.318 20 0 DBADRM CCN(C(=O)C(=O)Nc1nc2n(n1)CCCC2)[C@@H](C)C(=O)[O-] ZINC001589698208 950198835 /nfs/dbraw/zinc/19/88/35/950198835.db2.gz NFFXWGZDMLAUCK-QMMMGPOBSA-N -1 0 309.326 -0.126 20 0 DBADRM CCN(C(=O)CN1CCC[C@@H](C(=O)OC)C1=O)[C@@H](C)C(=O)[O-] ZINC001589699354 950216560 /nfs/dbraw/zinc/21/65/60/950216560.db2.gz JBSRVRKHKWUSMA-VHSXEESVSA-N -1 0 314.338 -0.280 20 0 DBADRM CCN([C@H](C)C(=O)[O-])S(=O)(=O)CCCCS(N)(=O)=O ZINC001589713197 950340380 /nfs/dbraw/zinc/34/03/80/950340380.db2.gz HJVIKTDNLLWIBA-MRVPVSSYSA-N -1 0 316.401 -0.820 20 0 DBADRM CCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(=O)NC)n(C)c1 ZINC001589713399 950346694 /nfs/dbraw/zinc/34/66/94/950346694.db2.gz PHUHGXNKJGFCSZ-QMMMGPOBSA-N -1 0 317.367 -0.132 20 0 DBADRM CCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)no1 ZINC001589713507 950347575 /nfs/dbraw/zinc/34/75/75/950347575.db2.gz UVZIZZPZNORCNG-LURJTMIESA-N -1 0 306.296 -0.055 20 0 DBADRM CCN(C1CCN(C(=O)COCC(=O)[O-])CC1)S(C)(=O)=O ZINC001589718790 950384418 /nfs/dbraw/zinc/38/44/18/950384418.db2.gz DGLAUWCFVSAPFY-UHFFFAOYSA-N -1 0 322.383 -0.640 20 0 DBADRM CC(C)C[C@@H](CO)N(C)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001574163374 950424324 /nfs/dbraw/zinc/42/43/24/950424324.db2.gz SSILRXUTOHEMIR-QMMMGPOBSA-N -1 0 323.357 -0.903 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NC[C@H]2COCCO2)c1 ZINC000379939419 971666607 /nfs/dbraw/zinc/66/66/07/971666607.db2.gz ALNWWRWKIWIIIV-VIFPVBQESA-N -1 0 302.308 -0.527 20 0 DBADRM CCN1CC[C@@H](OC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1=O ZINC001589741162 950590496 /nfs/dbraw/zinc/59/04/96/950590496.db2.gz CVFPTLSZOPMEAO-NXEZZACHSA-N -1 0 312.322 -0.526 20 0 DBADRM CCN1CC[C@@H]1CNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001589741894 950616189 /nfs/dbraw/zinc/61/61/89/950616189.db2.gz YDLXNBOMVXLLIH-HTAVTVPLSA-N -1 0 311.382 -0.044 20 0 DBADRM CCN1CC[C@@H](OC(=O)c2cccn(CC(=O)[O-])c2=O)C1=O ZINC001589741924 950618718 /nfs/dbraw/zinc/61/87/18/950618718.db2.gz YGNRDRURIJIUHC-SNVBAGLBSA-N -1 0 308.290 -0.290 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC001589744472 950657346 /nfs/dbraw/zinc/65/73/46/950657346.db2.gz RUYFMICOWRYUST-UHFFFAOYSA-N -1 0 320.349 -0.326 20 0 DBADRM O=C([O-])/C=C/c1ccc(S(=O)(=O)NCCn2ncnn2)cc1 ZINC000380180872 971682831 /nfs/dbraw/zinc/68/28/31/971682831.db2.gz OPZSIUFQSBCGHM-ZZXKWVIFSA-N -1 0 323.334 -0.251 20 0 DBADRM CCN1CCO[C@@H](C(=O)N2CCO[C@](COC)(C(=O)[O-])C2)C1 ZINC001589883154 950700943 /nfs/dbraw/zinc/70/09/43/950700943.db2.gz YSNXCASTCZTPBS-BXUZGUMPSA-N -1 0 316.354 -0.964 20 0 DBADRM CCN1OC[C@H](n2cc(CN3CCC(C(=O)[O-])CC3)nn2)C1=O ZINC001589883121 950702556 /nfs/dbraw/zinc/70/25/56/950702556.db2.gz XYLXBWVLTDSEBB-LBPRGKRZSA-N -1 0 323.353 -0.091 20 0 DBADRM CCNC(=O)CCC(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001589883815 950706898 /nfs/dbraw/zinc/70/68/98/950706898.db2.gz OSXIMKUNXRVUMR-CYBMUJFWSA-N -1 0 302.327 -0.769 20 0 DBADRM CCNC(=O)CCCC(=O)N(CCC(=O)OC)CC(=O)[O-] ZINC001589883978 950707787 /nfs/dbraw/zinc/70/77/87/950707787.db2.gz WYZAXFAKZIJUGF-UHFFFAOYSA-N -1 0 302.327 -0.231 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001589962002 950743110 /nfs/dbraw/zinc/74/31/10/950743110.db2.gz IPCQCUKUZJBFBK-BXKDBHETSA-N -1 0 320.367 -0.840 20 0 DBADRM CCNS(=O)(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001589963052 950746478 /nfs/dbraw/zinc/74/64/78/950746478.db2.gz ZHZNIASXLCKXES-XEVUQIKYSA-N -1 0 320.367 -0.574 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001590058310 950775888 /nfs/dbraw/zinc/77/58/88/950775888.db2.gz MPAIDCWOWQUAFV-AXTSPUMRSA-N -1 0 314.338 -0.330 20 0 DBADRM CCOC(=O)[C@H](CC)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001590129916 950807642 /nfs/dbraw/zinc/80/76/42/950807642.db2.gz SXYRJYPUMXMMAK-SECBINFHSA-N -1 0 300.311 -0.669 20 0 DBADRM CCOC(=O)[C@@H](F)C1CN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001590137580 950823796 /nfs/dbraw/zinc/82/37/96/950823796.db2.gz JNZKIDSXWFGNBU-BDAKNGLRSA-N -1 0 302.258 -0.425 20 0 DBADRM CS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC000315048325 950833374 /nfs/dbraw/zinc/83/33/74/950833374.db2.gz JASBMPJTYTZVLQ-WCBMZHEXSA-N -1 0 318.351 -0.501 20 0 DBADRM O=C([O-])CC1(C(=O)N2CCC(C(=O)NCCO)CC2)CCC1 ZINC001594970402 950838223 /nfs/dbraw/zinc/83/82/23/950838223.db2.gz AHHGIOZOULDLKZ-UHFFFAOYSA-N -1 0 312.366 -0.022 20 0 DBADRM CCOC(=O)[C@]1(C)CN(C(=O)[C@](C)(OC)C(=O)[O-])CCO1 ZINC001590178052 950850792 /nfs/dbraw/zinc/85/07/92/950850792.db2.gz NYZCMPDTDFWKTQ-STQMWFEESA-N -1 0 303.311 -0.343 20 0 DBADRM O=C([O-])CC1(C(=O)N2CCC(CO)(CO)C2)CCOCC1 ZINC001594971647 950861534 /nfs/dbraw/zinc/86/15/34/950861534.db2.gz ROUZRTKUSKTAOO-UHFFFAOYSA-N -1 0 301.339 -0.539 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000317114662 950900776 /nfs/dbraw/zinc/90/07/76/950900776.db2.gz ZFXYVCATDUBBIH-NSHDSACASA-N -1 0 313.354 -0.212 20 0 DBADRM O=C([O-])CC1(C(=O)N[C@H]2CC[C@@H](O)[C@@H](O)C2)CCOCC1 ZINC001594974253 950903419 /nfs/dbraw/zinc/90/34/19/950903419.db2.gz NKYKSLVDSXZULR-AXFHLTTASA-N -1 0 301.339 -0.352 20 0 DBADRM CCOC(=O)[C@@H]1CN(C(=O)[C@H](OC)C(=O)[O-])CC12COC2 ZINC001590347500 950917556 /nfs/dbraw/zinc/91/75/56/950917556.db2.gz ULOIRYPWVAMSNT-IUCAKERBSA-N -1 0 301.295 -0.876 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000319115919 950947467 /nfs/dbraw/zinc/94/74/67/950947467.db2.gz COKQOXMIBQIJFT-WDEREUQCSA-N -1 0 311.382 -0.186 20 0 DBADRM CCOC(=O)COCCNC(=O)C1(C(=O)[O-])CCOCC1 ZINC001590648588 950969072 /nfs/dbraw/zinc/96/90/72/950969072.db2.gz WDIQIBUVDOHPOS-UHFFFAOYSA-N -1 0 303.311 -0.436 20 0 DBADRM CCOC(=O)Cc1csc(CNC(=O)COCC(=O)[O-])n1 ZINC001590729255 950996854 /nfs/dbraw/zinc/99/68/54/950996854.db2.gz UWBLQJVDEDTEAC-UHFFFAOYSA-N -1 0 316.335 -0.034 20 0 DBADRM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC001590873745 951009199 /nfs/dbraw/zinc/00/91/99/951009199.db2.gz PWSMKQSHKQXPJQ-GWOFURMSSA-N -1 0 314.338 -0.337 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)NCCn2cncn2)C1 ZINC001594987753 951030110 /nfs/dbraw/zinc/03/01/10/951030110.db2.gz LIAFWLGZJKGIOE-JTQLQIEISA-N -1 0 309.326 -0.892 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](CO)C2)C1 ZINC001594987949 951030993 /nfs/dbraw/zinc/03/09/93/951030993.db2.gz PTBPMRYNZOGFOQ-RYUDHWBXSA-N -1 0 312.366 -0.069 20 0 DBADRM CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)[C@H]3CC(C(=O)[O-])=NO3)C[C@@H]21 ZINC001591005745 951038645 /nfs/dbraw/zinc/03/86/45/951038645.db2.gz KOMPZLACLIOQEA-JZSSXWJLSA-N -1 0 310.306 -0.127 20 0 DBADRM O=C([O-])CCC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001594995608 951073758 /nfs/dbraw/zinc/07/37/58/951073758.db2.gz SSBWXPSIMZASRN-UHFFFAOYSA-N -1 0 301.324 -0.659 20 0 DBADRM O=C([O-])CCC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001594996489 951085438 /nfs/dbraw/zinc/08/54/38/951085438.db2.gz UPRIUSHLTQWOSB-JOYOIKCWSA-N -1 0 305.352 -0.296 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])o1 ZINC001591176491 951088432 /nfs/dbraw/zinc/08/84/32/951088432.db2.gz RLCVUTPXKHICQU-LLVKDONJSA-N -1 0 321.307 -0.430 20 0 DBADRM CCOC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])o1 ZINC001591176492 951088902 /nfs/dbraw/zinc/08/89/02/951088902.db2.gz RLCVUTPXKHICQU-NSHDSACASA-N -1 0 321.307 -0.430 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2CCS(=O)(=O)CCO2)CO1 ZINC001595001891 951140043 /nfs/dbraw/zinc/14/00/43/951140043.db2.gz CSZITOZFZNKYQI-NXEZZACHSA-N -1 0 321.351 -0.555 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)NCCNC(=O)c2ccn[nH]2)CO1 ZINC001595002557 951151345 /nfs/dbraw/zinc/15/13/45/951151345.db2.gz VZEDRQZDTXVILR-UWVGGRQHSA-N -1 0 324.337 -0.474 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)OCCN2CCNC2=O)CO1 ZINC001595002570 951151726 /nfs/dbraw/zinc/15/17/26/951151726.db2.gz AAWPIRXTKKMOJU-NXEZZACHSA-N -1 0 300.311 -0.175 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)CC2)CO1 ZINC001595004162 951175638 /nfs/dbraw/zinc/17/56/38/951175638.db2.gz PSBIQZGYTLVZQM-VHSXEESVSA-N -1 0 305.352 -0.487 20 0 DBADRM CCO[C@H]1C[C@H]1c1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1 ZINC001591762221 951205519 /nfs/dbraw/zinc/20/55/19/951205519.db2.gz OIUQDZRPGWHJGX-SVRRBLITSA-N -1 0 322.277 -0.024 20 0 DBADRM CCO[C@@H]1C[C@H]1c1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1 ZINC001591762219 951205871 /nfs/dbraw/zinc/20/58/71/951205871.db2.gz OIUQDZRPGWHJGX-HTRCEHHLSA-N -1 0 322.277 -0.024 20 0 DBADRM CCOC1CN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001591764947 951215145 /nfs/dbraw/zinc/21/51/45/951215145.db2.gz HRSZXJYAMRETDS-LLVKDONJSA-N -1 0 313.354 -0.118 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001591765280 951220992 /nfs/dbraw/zinc/22/09/92/951220992.db2.gz RESNMTIRVGBLBH-HBNTYKKESA-N -1 0 314.338 -0.770 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)OCC(=O)N2CCCC2=O)CO1 ZINC001595007391 951221425 /nfs/dbraw/zinc/22/14/25/951221425.db2.gz VDLGFZNVYAWPDO-NXEZZACHSA-N -1 0 313.306 -0.052 20 0 DBADRM O=C([O-])CC[C@H]1C[C@H](C(=O)OCC(=O)N2CCCC2=O)CO1 ZINC001595007392 951222144 /nfs/dbraw/zinc/22/21/44/951222144.db2.gz VDLGFZNVYAWPDO-UWVGGRQHSA-N -1 0 313.306 -0.052 20 0 DBADRM CCOC[C@@H](C(=O)OC)N(C)C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001591877602 951234280 /nfs/dbraw/zinc/23/42/80/951234280.db2.gz PUQDNUJSPSXPFT-IUCAKERBSA-N -1 0 302.283 -0.748 20 0 DBADRM CCOCCN1CCN(C(=O)c2cc(C(=O)[O-])nn2C)CC1 ZINC001591878254 951239165 /nfs/dbraw/zinc/23/91/65/951239165.db2.gz QANYPWAJGWHXMB-UHFFFAOYSA-N -1 0 310.354 -0.087 20 0 DBADRM CCOCCN(C)C(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001591878659 951239428 /nfs/dbraw/zinc/23/94/28/951239428.db2.gz ULMKAUFBOJCBGB-UHFFFAOYSA-N -1 0 316.354 -0.521 20 0 DBADRM CCOCCN1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001591878704 951241315 /nfs/dbraw/zinc/24/13/15/951241315.db2.gz XFCNVVJAUANDBD-AWEZNQCLSA-N -1 0 300.355 -0.199 20 0 DBADRM CCOCCNC(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001591925770 951242982 /nfs/dbraw/zinc/24/29/82/951242982.db2.gz CKPGUXHTRNCMIE-CYBMUJFWSA-N -1 0 302.327 -0.911 20 0 DBADRM CCOCCO[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001591925858 951243564 /nfs/dbraw/zinc/24/35/64/951243564.db2.gz HXLHEEHLMMRBFZ-VHSXEESVSA-N -1 0 323.367 -0.862 20 0 DBADRM CCOCCOC[C@@H](O)CNC(=O)c1cnc(C(=O)[O-])cn1 ZINC001591926324 951243859 /nfs/dbraw/zinc/24/38/59/951243859.db2.gz MUCYYBJYCBSUHS-VIFPVBQESA-N -1 0 313.310 -0.681 20 0 DBADRM CCOCCOC1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001591926336 951245162 /nfs/dbraw/zinc/24/51/62/951245162.db2.gz NGYZZMCXGGBRFP-UHFFFAOYSA-N -1 0 324.333 -0.190 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000383870431 951260217 /nfs/dbraw/zinc/26/02/17/951260217.db2.gz ZNQHXOPMEBIORM-VIFPVBQESA-N -1 0 307.372 -0.762 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001591997819 951272553 /nfs/dbraw/zinc/27/25/53/951272553.db2.gz GTZXSUUVEGFSML-OXIWPEFWSA-N -1 0 314.338 -0.467 20 0 DBADRM Cn1nnc(Br)c1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000385298163 951278779 /nfs/dbraw/zinc/27/87/79/951278779.db2.gz RWCPLUFUYBSNMI-RXMQYKEDSA-N -1 0 319.115 -0.497 20 0 DBADRM CC(C)[C@@H](CNC(=O)N1CCC(O)(C(N)=O)CC1)C(=O)[O-] ZINC000386811457 951304037 /nfs/dbraw/zinc/30/40/37/951304037.db2.gz PTWJTWBFWPFIKG-SECBINFHSA-N -1 0 301.343 -0.635 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2ccc(C(=O)[O-])cn2)c1=O ZINC000387117775 951311905 /nfs/dbraw/zinc/31/19/05/951311905.db2.gz GMCGIQRKWFJVGY-UHFFFAOYSA-N -1 0 304.262 -0.721 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCCCCS(N)(=O)=O ZINC000381135787 971741249 /nfs/dbraw/zinc/74/12/49/971741249.db2.gz IWQHFJOUPYCGQL-DTWKUNHWSA-N -1 0 307.372 -0.440 20 0 DBADRM O=C(CCN1C(=O)CCC1=O)NCC1(C(=O)[O-])CCOCC1 ZINC000388584222 951333775 /nfs/dbraw/zinc/33/37/75/951333775.db2.gz GOUKJENVGYEMPO-UHFFFAOYSA-N -1 0 312.322 -0.477 20 0 DBADRM C[C@H](CNC(=O)c1cn[nH]c1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575043134 951382304 /nfs/dbraw/zinc/38/23/04/951382304.db2.gz GBLIHTCLXXXAOI-SSDOTTSWSA-N -1 0 314.313 -0.968 20 0 DBADRM O=C([O-])CCCCCNC(=O)NCCCN1C(=O)CNC1=O ZINC001595036916 951408471 /nfs/dbraw/zinc/40/84/71/951408471.db2.gz PHTOKTPDTFDYOJ-UHFFFAOYSA-N -1 0 314.342 -0.128 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)N(CCOC)CCC(=O)[O-] ZINC001593277103 951415348 /nfs/dbraw/zinc/41/53/48/951415348.db2.gz CNHMCECPILFSDK-JTQLQIEISA-N -1 0 324.399 -0.058 20 0 DBADRM Cc1nnc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)[nH]1 ZINC000392302710 951416885 /nfs/dbraw/zinc/41/68/85/951416885.db2.gz AWAIKIIEKUINCF-UHFFFAOYSA-N -1 0 303.344 -0.756 20 0 DBADRM CCS(=O)(=O)CCCNC(=O)c1cc(C(=O)[O-])nn1C ZINC001593277546 951418971 /nfs/dbraw/zinc/41/89/71/951418971.db2.gz MOCHGOPZQVSZRY-UHFFFAOYSA-N -1 0 303.340 -0.327 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001595041252 951426218 /nfs/dbraw/zinc/42/62/18/951426218.db2.gz XAZVJQYROIAPIM-MMXNHZJYSA-N -1 0 302.352 -0.911 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC001595041258 951426547 /nfs/dbraw/zinc/42/65/47/951426547.db2.gz XCWAWFLMYQYSDT-STXZSOOUSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001595041254 951426559 /nfs/dbraw/zinc/42/65/59/951426559.db2.gz XCWAWFLMYQYSDT-BSFRTMCYSA-N -1 0 310.350 -0.103 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCc2nnc(C)n2C)C1 ZINC000393237966 951431828 /nfs/dbraw/zinc/43/18/28/951431828.db2.gz JNKYXUCDONZWOT-ZDUSSCGKSA-N -1 0 311.342 -0.244 20 0 DBADRM O=C([O-])CCCNC(=O)C(=O)N1CCO[C@@]2(CCSC2)C1 ZINC001595048282 951452244 /nfs/dbraw/zinc/45/22/44/951452244.db2.gz KZLUCSSPTNUDGW-ZDUSSCGKSA-N -1 0 316.379 -0.298 20 0 DBADRM Cc1ncc([N+](=O)[O-])n1CCN1CCN(C(=O)C(=O)[O-])CC1 ZINC000396686112 951482660 /nfs/dbraw/zinc/48/26/60/951482660.db2.gz ZDZXTNSITVGTKE-UHFFFAOYSA-N -1 0 311.298 -0.671 20 0 DBADRM O=C([O-])CCN(C1CCOCC1)S(=O)(=O)[C@@H]1COC[C@H]1O ZINC001595055133 951485532 /nfs/dbraw/zinc/48/55/32/951485532.db2.gz BDDZWIRMPWIAKG-GHMZBOCLSA-N -1 0 323.367 -0.968 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCCn1cnc2ccccc21 ZINC001595055866 951497766 /nfs/dbraw/zinc/49/77/66/951497766.db2.gz HWFUZCNDCYEYFD-UHFFFAOYSA-N -1 0 304.306 -0.257 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC1CCN(CC(F)F)CC1 ZINC001595056228 951502392 /nfs/dbraw/zinc/50/23/92/951502392.db2.gz VCGOGCUNHZREHK-UHFFFAOYSA-N -1 0 307.297 -0.577 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCc1cccc(-n2cncn2)c1 ZINC001595056237 951502462 /nfs/dbraw/zinc/50/24/62/951502462.db2.gz VKKGZIGUDDQKED-UHFFFAOYSA-N -1 0 317.305 -0.526 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC001595057615 951505815 /nfs/dbraw/zinc/50/58/15/951505815.db2.gz SOSZLKNRQCSRAO-UHFFFAOYSA-N -1 0 303.278 -0.203 20 0 DBADRM CC[C@](COC)(NS(=O)(=O)c1cnn(C)c1C)C(=O)[O-] ZINC000381314060 971753911 /nfs/dbraw/zinc/75/39/11/971753911.db2.gz QQRKWNZWYTYRDS-LLVKDONJSA-N -1 0 305.356 -0.113 20 0 DBADRM CNC(=O)[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000398569814 951593819 /nfs/dbraw/zinc/59/38/19/951593819.db2.gz LCAFTNKQHSQRMB-JTQLQIEISA-N -1 0 319.383 -0.904 20 0 DBADRM C[C@@H]1C[C@H](CO)CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000398725387 951602056 /nfs/dbraw/zinc/60/20/56/951602056.db2.gz HLYHVNOBGPQWDC-MNOVXSKESA-N -1 0 320.411 -0.022 20 0 DBADRM C[C@H]1C[C@H](CO)CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000398725389 951602107 /nfs/dbraw/zinc/60/21/07/951602107.db2.gz HLYHVNOBGPQWDC-QWRGUYRKSA-N -1 0 320.411 -0.022 20 0 DBADRM O=C([O-])CN(CC1CC1)C(=O)c1nc2ncc(CCO)cn2n1 ZINC001595072410 951607489 /nfs/dbraw/zinc/60/74/89/951607489.db2.gz UMJMTCJKRVMVLH-UHFFFAOYSA-N -1 0 319.321 -0.404 20 0 DBADRM O=C([O-])CN1CC[C@H]([N@@H+]2CCC[C@@H](N3CCOCC3)C2)C1=O ZINC001595073773 951617881 /nfs/dbraw/zinc/61/78/81/951617881.db2.gz HSELSSGEOVAHPT-OLZOCXBDSA-N -1 0 311.382 -0.532 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1=O ZINC001595073853 951619220 /nfs/dbraw/zinc/61/92/20/951619220.db2.gz JYGLTADWOZECNX-VWYCJHECSA-N -1 0 316.379 -0.962 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCC(N3CCNC3=O)CC2)C1=O ZINC001595074800 951637542 /nfs/dbraw/zinc/63/75/42/951637542.db2.gz XDGKFWCQUQEJDG-NSHDSACASA-N -1 0 310.354 -0.839 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCC3(CCNC(=O)O3)CC2)C1=O ZINC001595074782 951637808 /nfs/dbraw/zinc/63/78/08/951637808.db2.gz WINYNWZGGUKXBO-SNVBAGLBSA-N -1 0 311.338 -0.364 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCN(CC(F)(F)F)C(=O)C2)C1=O ZINC001595074803 951638186 /nfs/dbraw/zinc/63/81/86/951638186.db2.gz XJJYCEGMXGTNPD-MRVPVSSYSA-N -1 0 323.271 -0.622 20 0 DBADRM CC[C@H](CNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400189251 951645641 /nfs/dbraw/zinc/64/56/41/951645641.db2.gz KYWDKMJGCDGVEP-RKDXNWHRSA-N -1 0 307.372 -0.570 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)c2cnn3cccnc23)C1=O ZINC001595080788 951674494 /nfs/dbraw/zinc/67/44/94/951674494.db2.gz BJAJPZTYHDSORM-SECBINFHSA-N -1 0 304.262 -0.428 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)c2cnn3cccnc23)C1=O ZINC001595080795 951675569 /nfs/dbraw/zinc/67/55/69/951675569.db2.gz BJAJPZTYHDSORM-VIFPVBQESA-N -1 0 304.262 -0.428 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)c2cc3c(cc2O)OCO3)C1=O ZINC001595081599 951685192 /nfs/dbraw/zinc/68/51/92/951685192.db2.gz KIFRQBYYGGZQFM-SECBINFHSA-N -1 0 323.257 -0.037 20 0 DBADRM O=C([O-])CN1CC[C@H](OC(=O)c2cc3c(cc2O)OCO3)C1=O ZINC001595081603 951685835 /nfs/dbraw/zinc/68/58/35/951685835.db2.gz KIFRQBYYGGZQFM-VIFPVBQESA-N -1 0 323.257 -0.037 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)C[C@@H]2C=CS(=O)(=O)C2)C1=O ZINC001595082175 951693050 /nfs/dbraw/zinc/69/30/50/951693050.db2.gz ZNQNJCFEABZZJW-DTWKUNHWSA-N -1 0 317.319 -0.837 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)Nc2n[nH]c3c2COCC3)C1=O ZINC001595083055 951705335 /nfs/dbraw/zinc/70/53/35/951705335.db2.gz NVHIBENEJYYFLY-QMMMGPOBSA-N -1 0 322.321 -0.256 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N[C@H]2CCc3c[nH]nc3C2)C1=O ZINC001595083406 951709593 /nfs/dbraw/zinc/70/95/93/951709593.db2.gz KTBWQDOLCBWBJU-QWRGUYRKSA-N -1 0 320.349 -0.294 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCO[C@H](CF)C2)C1=O ZINC001595083988 951714077 /nfs/dbraw/zinc/71/40/77/951714077.db2.gz NNRRHHLCDIYLAV-ZJUUUORDSA-N -1 0 302.302 -0.494 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NCCc2cnccn2)C1=O ZINC001595084966 951718950 /nfs/dbraw/zinc/71/89/50/951718950.db2.gz ZKNBWRNCUCTVHD-LLVKDONJSA-N -1 0 306.322 -0.542 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N[C@@H]2CCn3cncc32)C1=O ZINC001595085160 951721567 /nfs/dbraw/zinc/72/15/67/951721567.db2.gz RZDFSNDNKGIUPV-NXEZZACHSA-N -1 0 306.322 -0.233 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)NC2(c3nc[nH]n3)CCC2)C1=O ZINC001595086061 951728904 /nfs/dbraw/zinc/72/89/04/951728904.db2.gz YFXCFSNCMKWVJT-SECBINFHSA-N -1 0 321.337 -0.377 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CCc3nccnc3C2)C1=O ZINC001595086156 951730006 /nfs/dbraw/zinc/73/00/06/951730006.db2.gz ZWFWKXDIQNOBAH-JTQLQIEISA-N -1 0 318.333 -0.316 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)Nc2nnnn2C2CC2)C1=O ZINC001595086713 951737889 /nfs/dbraw/zinc/73/78/89/951737889.db2.gz GHWIZVMWNDOFNF-QMMMGPOBSA-N -1 0 308.298 -0.730 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@](F)(CO)C2)C1=O ZINC001595087369 951745872 /nfs/dbraw/zinc/74/58/72/951745872.db2.gz SSCXCCGAIUKUFP-TVQRCGJNSA-N -1 0 302.302 -0.758 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)OCC(=O)[C@@H]2CCOC2)C1=O ZINC001595087488 951746904 /nfs/dbraw/zinc/74/69/04/951746904.db2.gz OEUSNDSCXIJPIA-NXEZZACHSA-N -1 0 313.306 -0.542 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)C[C@@H]2COC(=O)C2)C1=O ZINC001595089940 951762420 /nfs/dbraw/zinc/76/24/20/951762420.db2.gz JNANSHMTQPFJCV-VHSXEESVSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)C[C@H]2COC(=O)C2)C1=O ZINC001595089935 951762883 /nfs/dbraw/zinc/76/28/83/951762883.db2.gz JNANSHMTQPFJCV-NXEZZACHSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1=O ZINC001595090648 951770220 /nfs/dbraw/zinc/77/02/20/951770220.db2.gz QTJMYNUZEGIWPZ-NXEZZACHSA-N -1 0 311.338 -0.763 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)N2CC=C[C@H]2CO)C1=O ZINC001595090884 951773205 /nfs/dbraw/zinc/77/32/05/951773205.db2.gz UDCINUCHQWGAIQ-WDEREUQCSA-N -1 0 311.338 -0.606 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)CNC(=O)C2CC2)C1=O ZINC001595091400 951778630 /nfs/dbraw/zinc/77/86/30/951778630.db2.gz ZEDMXKKZERMRRH-SNVBAGLBSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NC2CSC2)C1=O ZINC001595091481 951779160 /nfs/dbraw/zinc/77/91/60/951779160.db2.gz QVODZCFXPWLIQC-SECBINFHSA-N -1 0 301.368 -0.133 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NC[C@H]2C[C@H](O)C2)C1=O ZINC001595091547 951779879 /nfs/dbraw/zinc/77/98/79/951779879.db2.gz SBXYOBCLUQAAJB-GMTAPVOTSA-N -1 0 313.354 -0.478 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)NC[C@H]2C[C@@H](O)C2)C1=O ZINC001595091545 951780447 /nfs/dbraw/zinc/78/04/47/951780447.db2.gz SBXYOBCLUQAAJB-AXFHLTTASA-N -1 0 313.354 -0.478 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NCC2(O)CCC2)C1=O ZINC001595091962 951785928 /nfs/dbraw/zinc/78/59/28/951785928.db2.gz XEAYRPHKNASRFT-SNVBAGLBSA-N -1 0 313.354 -0.334 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](N2C(=O)N[C@@H](CF)C2=O)C1=O ZINC001595092534 951793743 /nfs/dbraw/zinc/79/37/43/951793743.db2.gz WTYFGYMEYJSGBR-JGVFFNPUSA-N -1 0 301.274 -0.658 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)O[C@H]2CCOC2)C1=O ZINC001595093972 951800988 /nfs/dbraw/zinc/80/09/88/951800988.db2.gz NENKRBNBWVNGHM-UWVGGRQHSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)c2cnncc2O)C1=O ZINC001595095383 951808513 /nfs/dbraw/zinc/80/85/13/951808513.db2.gz DEGFGEWWCQQYTG-VIFPVBQESA-N -1 0 308.294 -0.622 20 0 DBADRM O=C([O-])CNC(=O)CN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001595097450 951832783 /nfs/dbraw/zinc/83/27/83/951832783.db2.gz IVMYPPLRRCTNPD-DOMZBBRYSA-N -1 0 310.325 -0.013 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1cccc(-n2ccnn2)c1 ZINC001595100002 951850615 /nfs/dbraw/zinc/85/06/15/951850615.db2.gz JGYIYNJDIVTHOM-UHFFFAOYSA-N -1 0 304.262 -0.375 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)Cn1cnc(-c2ccccc2)n1 ZINC001595099987 951850670 /nfs/dbraw/zinc/85/06/70/951850670.db2.gz HXZVWKCHOVSKDI-UHFFFAOYSA-N -1 0 318.289 -0.311 20 0 DBADRM O=C([O-])CNC(=O)COC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC001595099966 951850813 /nfs/dbraw/zinc/85/08/13/951850813.db2.gz GMJVZBJDGTWSJL-SNVBAGLBSA-N -1 0 324.289 -0.393 20 0 DBADRM O=C([O-])COCC(=O)NCc1ccc(-c2nncnn2)cc1 ZINC001595107147 951883490 /nfs/dbraw/zinc/88/34/90/951883490.db2.gz KMUXMESUFQQUDE-UHFFFAOYSA-N -1 0 303.278 -0.349 20 0 DBADRM O=C([O-])COCC(=O)OCCn1cnc(Br)n1 ZINC001595111475 951909436 /nfs/dbraw/zinc/90/94/36/951909436.db2.gz XVLYAWJACVYDLS-UHFFFAOYSA-N -1 0 308.088 -0.315 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCC[C@@H]1CCO ZINC001595113540 951927015 /nfs/dbraw/zinc/92/70/15/951927015.db2.gz BFKANOPYQOKMEH-LLVKDONJSA-N -1 0 304.343 -0.339 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N1CCC[C@H]1CCO ZINC001595113542 951927029 /nfs/dbraw/zinc/92/70/29/951927029.db2.gz BFKANOPYQOKMEH-NSHDSACASA-N -1 0 304.343 -0.339 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NCC1CCOCC1 ZINC001595114030 951932946 /nfs/dbraw/zinc/93/29/46/951932946.db2.gz OLYQJBPWSHJMPM-UHFFFAOYSA-N -1 0 304.343 -0.170 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1ccnc2[nH]c(=O)[nH]c21 ZINC001595114568 951937003 /nfs/dbraw/zinc/93/70/03/951937003.db2.gz DPSWTUGIZBVOTC-UHFFFAOYSA-N -1 0 324.293 -0.489 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1ncc(Cl)cn1 ZINC001595116739 951946493 /nfs/dbraw/zinc/94/64/93/951946493.db2.gz PXGWZEWHYGKVSD-UHFFFAOYSA-N -1 0 303.702 -0.022 20 0 DBADRM O=C([O-])COCc1nc(Cn2nc3ccccn3c2=O)no1 ZINC001595118330 951954434 /nfs/dbraw/zinc/95/44/34/951954434.db2.gz ASMWUMUQMOYBBK-UHFFFAOYSA-N -1 0 305.250 -0.472 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)NCCn2cnnc2)cc1 ZINC000382038165 971797411 /nfs/dbraw/zinc/79/74/11/971797411.db2.gz UMTXAIRRBROFIM-UHFFFAOYSA-N -1 0 310.335 -0.116 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001595123563 951987441 /nfs/dbraw/zinc/98/74/41/951987441.db2.gz ICUMXPZRQQKBPB-UWVGGRQHSA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001595123564 951987635 /nfs/dbraw/zinc/98/76/35/951987635.db2.gz ICUMXPZRQQKBPB-VHSXEESVSA-N -1 0 304.368 -0.771 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCC(O[C@@H]2CCOC2)CC1 ZINC001595123839 951992742 /nfs/dbraw/zinc/99/27/42/951992742.db2.gz QVRLDCCKTDCBPA-GFCCVEGCSA-N -1 0 321.395 -0.244 20 0 DBADRM CC[C@@]1(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001485315230 1013112610 /nfs/dbraw/zinc/11/26/10/1013112610.db2.gz ZZZINKITYMKPJQ-LKFCYVNXSA-N -1 0 324.385 -0.637 20 0 DBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NC1COCCOC1 ZINC001595138439 952068000 /nfs/dbraw/zinc/06/80/00/952068000.db2.gz MANBQPILPONSLR-UHFFFAOYSA-N -1 0 322.317 -0.216 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)nn1 ZINC001595140176 952073254 /nfs/dbraw/zinc/07/32/54/952073254.db2.gz OLEYYMHVSBGYOL-UHFFFAOYSA-N -1 0 320.280 -0.155 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NCCCNc2ccccn2)nn1 ZINC001595142473 952091397 /nfs/dbraw/zinc/09/13/97/952091397.db2.gz NIAWPBHPOUHXTR-UHFFFAOYSA-N -1 0 304.310 -0.010 20 0 DBADRM O=C([O-])Cn1cc(CCOC(=O)c2cnc3n2CCOC3)nn1 ZINC001595146361 952114854 /nfs/dbraw/zinc/11/48/54/952114854.db2.gz FHHSJXJNXPIUFR-UHFFFAOYSA-N -1 0 321.293 -0.511 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](CO)CC2)n1 ZINC001595151183 952133375 /nfs/dbraw/zinc/13/33/75/952133375.db2.gz ICEYWUIHFDRIGC-MGCOHNPYSA-N -1 0 324.337 -0.427 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)n1 ZINC001595151248 952133531 /nfs/dbraw/zinc/13/35/31/952133531.db2.gz JRJAPQXZYGHQDU-ZJUUUORDSA-N -1 0 324.337 -0.427 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)C(=O)NCCOC2CCCC2)n1 ZINC001595151401 952135493 /nfs/dbraw/zinc/13/54/93/952135493.db2.gz UYIBIMZPLNEAHU-UHFFFAOYSA-N -1 0 324.337 -0.018 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N[C@H](CO)[C@@H]2CCCOC2)n1 ZINC001595152155 952143042 /nfs/dbraw/zinc/14/30/42/952143042.db2.gz NXNBMCAEDHUDJO-NXEZZACHSA-N -1 0 312.326 -0.123 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1C[C@@H]1C ZINC001575140677 952143457 /nfs/dbraw/zinc/14/34/57/952143457.db2.gz FEKARMNWMZVNQM-AEJSXWLSSA-N -1 0 316.369 -0.007 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCCCC(=O)NC2CC2)c1=O ZINC001595154774 952159414 /nfs/dbraw/zinc/15/94/14/952159414.db2.gz KYXVRDBRJFHLGL-UHFFFAOYSA-N -1 0 321.333 -0.279 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N2CCC[C@@H]2C2OCCO2)c1=O ZINC001595154773 952159450 /nfs/dbraw/zinc/15/94/50/952159450.db2.gz OEFJWMOCBSTCTH-LLVKDONJSA-N -1 0 322.317 -0.090 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@H]2CCCCNC2=O)c1=O ZINC001595155771 952166742 /nfs/dbraw/zinc/16/67/42/952166742.db2.gz WMLOAJWDXGQAEM-SNVBAGLBSA-N -1 0 307.306 -0.669 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NC[C@H](O)C(F)(F)F)c1=O ZINC001595156289 952168533 /nfs/dbraw/zinc/16/85/33/952168533.db2.gz HTRNTTLWAKUGIY-ZETCQYMHSA-N -1 0 308.212 -0.414 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)C[C@H]2C=CS(=O)(=O)C2)n1 ZINC001595158123 952177047 /nfs/dbraw/zinc/17/70/47/952177047.db2.gz NYIVBKWZTWAZMW-SSDOTTSWSA-N -1 0 300.296 -0.750 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCC[C@H](N2CCOCC2)C1 ZINC000382484875 971816467 /nfs/dbraw/zinc/81/64/67/971816467.db2.gz AHERACZENBGEBE-LBPRGKRZSA-N -1 0 320.411 -0.022 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)OC[C@@H]2C[C@@H]3COC[C@H]3O2)c1=O ZINC001595158784 952183757 /nfs/dbraw/zinc/18/37/57/952183757.db2.gz VNMGPGAFJGWJNZ-JFGNBEQYSA-N -1 0 323.301 -0.106 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)OC[C@@H]2C[C@@H]3COC[C@@H]3O2)c1=O ZINC001595158786 952183902 /nfs/dbraw/zinc/18/39/02/952183902.db2.gz VNMGPGAFJGWJNZ-SCVCMEIPSA-N -1 0 323.301 -0.106 20 0 DBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N(CCO)CC(F)F)C1 ZINC001595162548 952200598 /nfs/dbraw/zinc/20/05/98/952200598.db2.gz GSYWKXVLEAWZFW-MRVPVSSYSA-N -1 0 308.281 -0.604 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H]1C1OCCO1 ZINC001595168299 952213280 /nfs/dbraw/zinc/21/32/80/952213280.db2.gz CQRHUQGXXKQVGN-VHSXEESVSA-N -1 0 320.367 -0.383 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC2(C1)CCCOC2 ZINC001595168535 952215669 /nfs/dbraw/zinc/21/56/69/952215669.db2.gz WQYGOKATFUPFFI-JTQLQIEISA-N -1 0 304.368 -0.107 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC1(c2nc[nH]n2)CCC1 ZINC001595169911 952221246 /nfs/dbraw/zinc/22/12/46/952221246.db2.gz WECIZDAYMOGHCG-QMMMGPOBSA-N -1 0 315.355 -0.433 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(c1nnnn1CC(F)(F)F)C2 ZINC001595203460 952319434 /nfs/dbraw/zinc/31/94/34/952319434.db2.gz ZRTMOAQLVQCOKD-HZGVNTEJSA-N -1 0 307.232 -0.227 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)[nH]n1 ZINC001595207022 952335146 /nfs/dbraw/zinc/33/51/46/952335146.db2.gz NNWWDHUMLGXARL-SSDOTTSWSA-N -1 0 318.293 -0.068 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCC(C(=O)NCCCO)CC2)[nH]n1 ZINC001595207173 952336678 /nfs/dbraw/zinc/33/66/78/952336678.db2.gz PXAHKAJTWXGOCW-UHFFFAOYSA-N -1 0 324.337 -0.541 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)cn1 ZINC001595214050 952363842 /nfs/dbraw/zinc/36/38/42/952363842.db2.gz HBVQDAWQDPYLJV-SECBINFHSA-N -1 0 305.290 -0.897 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)cc1 ZINC001595215107 952374606 /nfs/dbraw/zinc/37/46/06/952374606.db2.gz BRASSJMNQXUFTM-INIZCTEOSA-N -1 0 320.345 -0.096 20 0 DBADRM C[C@H](Cn1ccnc1)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001575206422 952529413 /nfs/dbraw/zinc/52/94/13/952529413.db2.gz JLFNUNGPUVPGFE-SSDOTTSWSA-N -1 0 317.313 -0.637 20 0 DBADRM C[C@@H](Cn1ccnc1)Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001575206434 952529904 /nfs/dbraw/zinc/52/99/04/952529904.db2.gz JLFNUNGPUVPGFE-ZETCQYMHSA-N -1 0 317.313 -0.637 20 0 DBADRM CN(CCOCCO)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000383622543 971882326 /nfs/dbraw/zinc/88/23/26/971882326.db2.gz GTSOFLYHXLVTAD-UHFFFAOYSA-N -1 0 304.324 -0.591 20 0 DBADRM Cc1nnsc1CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000384175293 971914376 /nfs/dbraw/zinc/91/43/76/971914376.db2.gz VIXJZWPFRNZWJW-UHFFFAOYSA-N -1 0 317.352 -0.394 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NC[C@@H](O)C2CCC2)c1 ZINC001594738000 953353727 /nfs/dbraw/zinc/35/37/27/953353727.db2.gz DZEKPHXRYDYKGV-LLVKDONJSA-N -1 0 307.306 -0.005 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@H](O)[C@H]2CCCO2)c1 ZINC001594738446 953358391 /nfs/dbraw/zinc/35/83/91/953358391.db2.gz WBPMHQLBBMEOMG-NWDGAFQWSA-N -1 0 322.317 -0.021 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001593355364 953358638 /nfs/dbraw/zinc/35/86/38/953358638.db2.gz YBTXBFWJEDWDKY-ZETCQYMHSA-N -1 0 304.328 -0.766 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)NCC[C@@]2(O)CCOC2)CC1 ZINC000403104739 953366603 /nfs/dbraw/zinc/36/66/03/953366603.db2.gz DXLNMLMQBIWUSG-GFCCVEGCSA-N -1 0 322.383 -0.841 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589265744 953369638 /nfs/dbraw/zinc/36/96/38/953369638.db2.gz JXWFDRSXXGGINU-FNJFIEHPSA-N -1 0 318.395 -0.561 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001593459722 953369969 /nfs/dbraw/zinc/36/99/69/953369969.db2.gz GPCPUYDQSNPMFC-ULQSSITMSA-N -1 0 318.395 -0.560 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589265910 953370763 /nfs/dbraw/zinc/37/07/63/953370763.db2.gz MQYXJXWAGALSQD-VWYCJHECSA-N -1 0 323.353 -0.648 20 0 DBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCC(F)CC2)CCOCC1 ZINC001594743086 953373147 /nfs/dbraw/zinc/37/31/47/953373147.db2.gz SRKCWERKKMBINY-UHFFFAOYSA-N -1 0 316.329 -0.056 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2nccn2C)C1 ZINC001589266827 953376416 /nfs/dbraw/zinc/37/64/16/953376416.db2.gz XSJWXTOKEOEJKC-QWRGUYRKSA-N -1 0 322.365 -0.052 20 0 DBADRM CC[C@@H](NC(=O)C(=O)Nc1cc(C)nnc1N(C)C)C(=O)[O-] ZINC001593598710 953391537 /nfs/dbraw/zinc/39/15/37/953391537.db2.gz OCNIBBHMOFZLNM-MRVPVSSYSA-N -1 0 309.326 -0.231 20 0 DBADRM CC[C@@H](NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)C(=O)[O-] ZINC001593598658 953392701 /nfs/dbraw/zinc/39/27/01/953392701.db2.gz HQONZNJHKMSYMG-SECBINFHSA-N -1 0 315.370 -0.225 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)NC(CO)CO)O2 ZINC001594748449 953400412 /nfs/dbraw/zinc/40/04/12/953400412.db2.gz JXRULZRNNCRWDC-MDGUTJNFSA-N -1 0 302.327 -0.949 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2cn(C)c(=O)[nH]c2=O)C1 ZINC001589271571 953411527 /nfs/dbraw/zinc/41/15/27/953411527.db2.gz HIEOVYRTELYLMV-IUCAKERBSA-N -1 0 324.337 -0.262 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001589272099 953418277 /nfs/dbraw/zinc/41/82/77/953418277.db2.gz KIVMJBWMONCGQM-AXFHLTTASA-N -1 0 300.355 -0.311 20 0 DBADRM CC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)NC)cn1)C(=O)[O-] ZINC001593604065 953419365 /nfs/dbraw/zinc/41/93/65/953419365.db2.gz SUWNDASIGYNBFR-MRVPVSSYSA-N -1 0 316.339 -0.026 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)C1 ZINC001589273900 953440877 /nfs/dbraw/zinc/44/08/77/953440877.db2.gz JAPOLGWJJIAUFZ-HLTSFMKQSA-N -1 0 312.326 -0.631 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NC[C@H]2CC(C(N)=O)=NO2)C1 ZINC001589273901 953441030 /nfs/dbraw/zinc/44/10/30/953441030.db2.gz JAPOLGWJJIAUFZ-HRDYMLBCSA-N -1 0 312.326 -0.631 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCCCn2ccnc2)CCO1 ZINC001594757342 953476463 /nfs/dbraw/zinc/47/64/63/953476463.db2.gz WBVPFIRVCUBUCB-NSHDSACASA-N -1 0 324.337 -0.909 20 0 DBADRM CC[C@H](C)[C@H](NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001593614616 953491309 /nfs/dbraw/zinc/49/13/09/953491309.db2.gz AUUHXPQUQYSDKE-XPUUQOCRSA-N -1 0 319.339 -0.737 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)NCCOC(F)(F)F)CC1 ZINC001594759023 953498594 /nfs/dbraw/zinc/49/85/94/953498594.db2.gz WTIBYYHIXFPERJ-UHFFFAOYSA-N -1 0 312.244 -0.038 20 0 DBADRM O=C(NCCS(=O)(=O)CC1CC1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594763507 953524697 /nfs/dbraw/zinc/52/46/97/953524697.db2.gz UMMFFXHMKYDYSO-MGCOHNPYSA-N -1 0 304.368 -0.026 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2cscn2)CCO1 ZINC001594766020 953530543 /nfs/dbraw/zinc/53/05/43/953530543.db2.gz XHGBHJKAZXHOLU-VIFPVBQESA-N -1 0 313.335 -0.886 20 0 DBADRM O=C([O-])[C@@H]1CC(C(=O)NC[C@@H](O)CO)=NN1c1ccccc1 ZINC001594766062 953532120 /nfs/dbraw/zinc/53/21/20/953532120.db2.gz HTWNFTFCSHHSGT-PWSUYJOCSA-N -1 0 307.306 -0.825 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2nnc3c(=O)n(C)ccn23)C1 ZINC001589282442 953535046 /nfs/dbraw/zinc/53/50/46/953535046.db2.gz QTIFNGLPZNSFAC-NXEZZACHSA-N -1 0 305.338 -0.029 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2nnc3c(=O)n(C)ccn23)C1 ZINC001589282443 953535091 /nfs/dbraw/zinc/53/50/91/953535091.db2.gz QTIFNGLPZNSFAC-UWVGGRQHSA-N -1 0 305.338 -0.029 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)C[C@H]2CN(C)CCO2)C1 ZINC001589282458 953535378 /nfs/dbraw/zinc/53/53/78/953535378.db2.gz RBGOKYAJTLGDEV-IJLUTSLNSA-N -1 0 320.411 -0.311 20 0 DBADRM CC[C@H](O)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001593625601 953547822 /nfs/dbraw/zinc/54/78/22/953547822.db2.gz JNYMLFMHLMIIEZ-QMMMGPOBSA-N -1 0 312.326 -0.472 20 0 DBADRM O=C([O-])c1cccc(CNC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC001594771703 953564142 /nfs/dbraw/zinc/56/41/42/953564142.db2.gz QGDYNDYCVZRHSE-GFCCVEGCSA-N -1 0 319.321 -0.163 20 0 DBADRM O=C([O-])c1ccccc1CNC(=O)C(=O)N(CCO)C1CC1 ZINC001594773036 953575851 /nfs/dbraw/zinc/57/58/51/953575851.db2.gz HDDXNWNTNJQLQR-UHFFFAOYSA-N -1 0 306.318 -0.016 20 0 DBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001589289654 953588898 /nfs/dbraw/zinc/58/88/98/953588898.db2.gz KYKXDNQPIAMFCP-XUJVJEKNSA-N -1 0 312.366 -0.058 20 0 DBADRM C[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])c2ncnn21 ZINC001589291274 953599609 /nfs/dbraw/zinc/59/96/09/953599609.db2.gz BIYQLWMBEVZXIA-VGMNWLOBSA-N -1 0 315.355 -0.333 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCc2nccn2C(F)F)C1 ZINC001594778107 953608214 /nfs/dbraw/zinc/60/82/14/953608214.db2.gz ZFZLFTLRKPKDLK-SSDOTTSWSA-N -1 0 316.264 -0.173 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCc2nnc(C3CC3)s2)C1 ZINC001594778071 953608254 /nfs/dbraw/zinc/60/82/54/953608254.db2.gz XFSUTPBMTSSAMM-MRVPVSSYSA-N -1 0 324.362 -0.035 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)[C@]2(C(=O)[O-])CCCO2)CCS1(=O)=O ZINC001589292672 953617756 /nfs/dbraw/zinc/61/77/56/953617756.db2.gz HTSXBBSPDWXCTC-PTRXPTGYSA-N -1 0 305.352 -0.298 20 0 DBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]2C(=O)[O-])o1 ZINC000384625285 971944968 /nfs/dbraw/zinc/94/49/68/971944968.db2.gz LXGOVTPLKFKTJI-SSDOTTSWSA-N -1 0 302.308 -0.171 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)NCCOCCOCC(=O)[O-])[C@@H](C)O1 ZINC001589293713 953624151 /nfs/dbraw/zinc/62/41/51/953624151.db2.gz RBFBSYNWLHMHPB-MXWKQRLJSA-N -1 0 304.343 -0.031 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)c2ncnn21 ZINC001589294190 953629235 /nfs/dbraw/zinc/62/92/35/953629235.db2.gz VAVQRCJJVKDUKE-BBBLOLIVSA-N -1 0 321.337 -0.277 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C(=O)O1 ZINC001589294492 953633245 /nfs/dbraw/zinc/63/32/45/953633245.db2.gz XUCZHWHCCWPYIP-JGVFFNPUSA-N -1 0 319.335 -0.914 20 0 DBADRM CCc1cccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001593640307 953639912 /nfs/dbraw/zinc/63/99/12/953639912.db2.gz WLPATPDYVKORFF-NSHDSACASA-N -1 0 312.347 -0.032 20 0 DBADRM C[C@@H]1C[C@@]2(CCO1)CN(CC(=O)NCC(=O)[O-])C[C@H](C)O2 ZINC001589297168 953658928 /nfs/dbraw/zinc/65/89/28/953658928.db2.gz ZLRYDXNYMRXAEL-SUNKGSAMSA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC001589298669 953670645 /nfs/dbraw/zinc/67/06/45/953670645.db2.gz PYZTZBCDWLYAPP-UWVGGRQHSA-N -1 0 309.322 -0.362 20 0 DBADRM CCc1csc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC001593647059 953676090 /nfs/dbraw/zinc/67/60/90/953676090.db2.gz IQFWNPFIUJRLPW-QMMMGPOBSA-N -1 0 313.335 -0.044 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NC(=O)N2CCC(O)(COCCO)CC2)C1 ZINC001594795493 953713952 /nfs/dbraw/zinc/71/39/52/953713952.db2.gz XGPHVBXMOKLLAI-XYPYZODXSA-N -1 0 316.354 -0.605 20 0 DBADRM CCc1nnc2ccc(N3CCO[C@](COC)(C(=O)[O-])C3)nn21 ZINC001593653556 953724327 /nfs/dbraw/zinc/72/43/27/953724327.db2.gz HQOWKXLDIXSPLD-CQSZACIVSA-N -1 0 321.337 -0.007 20 0 DBADRM C[C@H]1CC[C@H](NC(=O)C2(C(=O)[O-])CCOCC2)CS1(=O)=O ZINC001589312578 953802940 /nfs/dbraw/zinc/80/29/40/953802940.db2.gz ZGRXRKYJPMMBTK-UWVGGRQHSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@H]1CC[C@@H](CNC(=O)NCCOCCOCC(=O)[O-])O1 ZINC001589312601 953802953 /nfs/dbraw/zinc/80/29/53/953802953.db2.gz ZQQWLJBDTVZOSS-QWRGUYRKSA-N -1 0 304.343 -0.029 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC001594810511 953811002 /nfs/dbraw/zinc/81/10/02/953811002.db2.gz HIERIGZRTSDJES-KWQFWETISA-N -1 0 308.290 -0.865 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc3nonc32)CCO1 ZINC001594810974 953820854 /nfs/dbraw/zinc/82/08/54/953820854.db2.gz DWSDADXNHOAMNE-VIFPVBQESA-N -1 0 320.261 -0.527 20 0 DBADRM CCn1cc(CN(C)C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC001593664783 953822341 /nfs/dbraw/zinc/82/23/41/953822341.db2.gz AIRGVMMBGRBDMN-NSHDSACASA-N -1 0 308.338 -0.206 20 0 DBADRM CCn1cc(CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])nn1 ZINC001593664963 953825459 /nfs/dbraw/zinc/82/54/59/953825459.db2.gz GGDCQGKCTWPBPK-UHFFFAOYSA-N -1 0 318.293 -0.354 20 0 DBADRM C[C@@H]1C[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)[C@@H](C)O1 ZINC000384856412 971962115 /nfs/dbraw/zinc/96/21/15/971962115.db2.gz GOPXLAWHZYGVMR-NQMVMOMDSA-N -1 0 303.340 -0.188 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)N2CCC[C@@](O)(CO)C2)c1 ZINC001594815007 953850597 /nfs/dbraw/zinc/85/05/97/953850597.db2.gz DULWSNMEMBHJJO-AWEZNQCLSA-N -1 0 323.305 -0.936 20 0 DBADRM CCn1ccc(CC(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)n1 ZINC001593666401 953854240 /nfs/dbraw/zinc/85/42/40/953854240.db2.gz UTNDCVUYCBCSNN-AWEZNQCLSA-N -1 0 311.338 -0.226 20 0 DBADRM CCn1cccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1=O ZINC001593668001 953862616 /nfs/dbraw/zinc/86/26/16/953862616.db2.gz TVAAGQLTXJPGNH-SECBINFHSA-N -1 0 307.306 -0.260 20 0 DBADRM CCn1nc(C(=O)NCCOCCOCC(=O)[O-])ccc1=O ZINC001593670594 953878086 /nfs/dbraw/zinc/87/80/86/953878086.db2.gz FGSPOYOYMNDVJG-UHFFFAOYSA-N -1 0 313.310 -0.889 20 0 DBADRM CCn1nc(C(=O)N2CC[C@](COC)(C(=O)[O-])C2)ccc1=O ZINC001593670692 953878835 /nfs/dbraw/zinc/87/88/35/953878835.db2.gz MAPACKGDTDQQJD-AWEZNQCLSA-N -1 0 309.322 -0.174 20 0 DBADRM O=C([O-])c1c[nH]nc1NC(=O)c1ccnc(N2CCOCC2)n1 ZINC001594818421 953887928 /nfs/dbraw/zinc/88/79/28/953887928.db2.gz PVENEZLXXUEQNI-UHFFFAOYSA-N -1 0 318.293 -0.013 20 0 DBADRM CN(C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1)[C@H]1CCNC1=O ZINC001593674386 953902036 /nfs/dbraw/zinc/90/20/36/953902036.db2.gz PLCABKXJYBNCQL-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM CN(C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1)[C@@H]1CCNC1=O ZINC001593674385 953902333 /nfs/dbraw/zinc/90/23/33/953902333.db2.gz PLCABKXJYBNCQL-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CN(C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1)[C@H]1CCNC1=O ZINC001593674382 953902698 /nfs/dbraw/zinc/90/26/98/953902698.db2.gz PLCABKXJYBNCQL-UWVGGRQHSA-N -1 0 311.338 -0.953 20 0 DBADRM CN(C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)[C@H]1CCCOC1 ZINC001593675634 953922130 /nfs/dbraw/zinc/92/21/30/953922130.db2.gz VZDUPQSUFSDOCH-JTQLQIEISA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC001594825507 953935378 /nfs/dbraw/zinc/93/53/78/953935378.db2.gz HDPDUWAZMPHQOU-SECBINFHSA-N -1 0 306.322 -0.415 20 0 DBADRM C[C@H]1CCCN(C(=O)c2nc(N)nc(N(C)C)n2)[C@H]1C(=O)[O-] ZINC001589328971 953938596 /nfs/dbraw/zinc/93/85/96/953938596.db2.gz VWFRCIYMSVZTFJ-JGVFFNPUSA-N -1 0 308.342 -0.155 20 0 DBADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)ccn1 ZINC001594826383 953941143 /nfs/dbraw/zinc/94/11/43/953941143.db2.gz OPGYFNVIOJFLDG-RKDXNWHRSA-N -1 0 315.307 -0.941 20 0 DBADRM C[C@@H]1CCCN(S(=O)(=O)N2CCN(C)CC2)[C@@H]1C(=O)[O-] ZINC001589332739 953955281 /nfs/dbraw/zinc/95/52/81/953955281.db2.gz CTZBWFGHAWIZIP-MNOVXSKESA-N -1 0 305.400 -0.336 20 0 DBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cncnc2C2CC2)CC1 ZINC001594828262 953955768 /nfs/dbraw/zinc/95/57/68/953955768.db2.gz OKIVXMZWRQVHIF-UHFFFAOYSA-N -1 0 304.306 -0.277 20 0 DBADRM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001593681343 953955906 /nfs/dbraw/zinc/95/59/06/953955906.db2.gz HHCKYJGYNWTYGF-FXPVBKGRSA-N -1 0 311.338 -0.021 20 0 DBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ncc[nH]2)C[C@H]1C(=O)[O-] ZINC001589332783 953957347 /nfs/dbraw/zinc/95/73/47/953957347.db2.gz PNADOTZOOQSOTM-NXEZZACHSA-N -1 0 308.338 -0.063 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1CO ZINC001589333148 953961664 /nfs/dbraw/zinc/96/16/64/953961664.db2.gz ZLYLNXCTKXTQRF-VHSXEESVSA-N -1 0 300.355 -0.167 20 0 DBADRM O=C([O-])[C@H](C(=O)N1CCC(O)(COCCO)CC1)C1CC1 ZINC001594831083 953961729 /nfs/dbraw/zinc/96/17/29/953961729.db2.gz GIQLWSJBRVAWSK-NSHDSACASA-N -1 0 301.339 -0.540 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)O1 ZINC001593682073 953964965 /nfs/dbraw/zinc/96/49/65/953964965.db2.gz ONMATVUTJKNDQZ-XWLWVQCSSA-N -1 0 313.354 -0.215 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)C2(CC(=O)[O-])CCC2)n1 ZINC001593686726 953991858 /nfs/dbraw/zinc/99/18/58/953991858.db2.gz GEVHDKFSZZUPOR-UHFFFAOYSA-N -1 0 309.326 -0.050 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001593686608 953992246 /nfs/dbraw/zinc/99/22/46/953992246.db2.gz BJEMYFJCFXXOFO-WDEREUQCSA-N -1 0 312.370 -0.640 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001593686767 953993249 /nfs/dbraw/zinc/99/32/49/953993249.db2.gz HJBARTUPJZRZNI-PSASIEDQSA-N -1 0 312.326 -0.570 20 0 DBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001593686781 953993376 /nfs/dbraw/zinc/99/33/76/953993376.db2.gz HJBARTUPJZRZNI-WPRPVWTQSA-N -1 0 312.326 -0.570 20 0 DBADRM C[C@H]1CCN(C(=O)CCN2CCCS2(=O)=O)C[C@H]1C(=O)[O-] ZINC001589336297 953994151 /nfs/dbraw/zinc/99/41/51/953994151.db2.gz CEGVVLQAMLYVAT-WDEREUQCSA-N -1 0 318.395 -0.019 20 0 DBADRM CN(C)C(=O)O[C@H]1CCCN(C(=O)NCCOCC(=O)[O-])C1 ZINC001593687749 954002025 /nfs/dbraw/zinc/00/20/25/954002025.db2.gz XREKRBNIKHMQJA-JTQLQIEISA-N -1 0 317.342 -0.040 20 0 DBADRM CN(C)C(=O)O[C@@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001593687762 954002102 /nfs/dbraw/zinc/00/21/02/954002102.db2.gz YENGKJPZJORHIP-SCZZXKLOSA-N -1 0 313.310 -0.095 20 0 DBADRM CN(C)C(=O)CNC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001593688264 954002751 /nfs/dbraw/zinc/00/27/51/954002751.db2.gz GAKMTAMAMBAKOR-UHFFFAOYSA-N -1 0 321.333 -0.153 20 0 DBADRM O=C([O-])[C@@H](C(=O)NCC1(OCCO)CCOCC1)C1CC1 ZINC001594833506 954002787 /nfs/dbraw/zinc/00/27/87/954002787.db2.gz FWDILAMJZMMGQW-LLVKDONJSA-N -1 0 301.339 -0.229 20 0 DBADRM C[C@@H]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CCS1(=O)=O ZINC001589350935 954079520 /nfs/dbraw/zinc/07/95/20/954079520.db2.gz PYGBRBXICFVAEV-MRVPVSSYSA-N -1 0 313.335 -0.176 20 0 DBADRM C[C@H]1CCN(C(=O)c2nc(N)nc(N(C)C)n2)C[C@H]1C(=O)[O-] ZINC001589351196 954080340 /nfs/dbraw/zinc/08/03/40/954080340.db2.gz SMUDBCKKBLWCAZ-JGVFFNPUSA-N -1 0 308.342 -0.297 20 0 DBADRM CN(C)CCN(CC(=O)[O-])C(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001593697663 954084466 /nfs/dbraw/zinc/08/44/66/954084466.db2.gz UCFVWGOHFQAUKC-UHFFFAOYSA-N -1 0 318.395 -0.714 20 0 DBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](N2C(=O)CNC2=O)C1=O ZINC001594843959 954112552 /nfs/dbraw/zinc/11/25/52/954112552.db2.gz QGFYCTTXGBNFNI-JQWIXIFHSA-N -1 0 317.301 -0.035 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)CCN2CCOC2=O)C[C@H]1C(=O)[O-] ZINC001589355612 954136481 /nfs/dbraw/zinc/13/64/81/954136481.db2.gz PFDGMEXWYSHPHQ-VHSXEESVSA-N -1 0 320.367 -0.189 20 0 DBADRM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)CSCC(=O)[O-])C1 ZINC001593704737 954149072 /nfs/dbraw/zinc/14/90/72/954149072.db2.gz ZRPKHSYBPGBRBY-SECBINFHSA-N -1 0 324.424 -0.313 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001593708205 954157628 /nfs/dbraw/zinc/15/76/28/954157628.db2.gz KHJKDUKSIIYYQG-LBPRGKRZSA-N -1 0 319.383 -0.690 20 0 DBADRM CN(C)S(=O)(=O)n1ccnc1CN[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593708467 954162637 /nfs/dbraw/zinc/16/26/37/954162637.db2.gz CEINZSRXOSPEOE-KYZUINATSA-N -1 0 302.356 -0.510 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)CCCO1 ZINC001594849597 954169801 /nfs/dbraw/zinc/16/98/01/954169801.db2.gz CPBYBAYJOYNFAW-BXUZGUMPSA-N -1 0 324.337 -0.432 20 0 DBADRM CN(C)c1ccc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001593709094 954173432 /nfs/dbraw/zinc/17/34/32/954173432.db2.gz ROIWPKLYSVQBRQ-JTQLQIEISA-N -1 0 307.306 -0.010 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC001593709372 954176905 /nfs/dbraw/zinc/17/69/05/954176905.db2.gz QOZBJBLBRCCFFQ-ASCAZGACSA-N -1 0 313.401 -0.255 20 0 DBADRM Cn1cc(S(=O)(=O)N(CCO)CCCO)cc1C(=O)[O-] ZINC000385280772 971992157 /nfs/dbraw/zinc/99/21/57/971992157.db2.gz XUVPCJCJEHRQAF-UHFFFAOYSA-N -1 0 306.340 -0.911 20 0 DBADRM O=C([O-])C1(C(=O)N2CCc3nc[nH]c(=O)c3C2)CCOCC1 ZINC001594850423 954179889 /nfs/dbraw/zinc/17/98/89/954179889.db2.gz PWIVGEFTCXMFEN-UHFFFAOYSA-N -1 0 307.306 -0.052 20 0 DBADRM O=C([O-])[C@@]1(C(=O)N2CCN(Cc3nc[nH]n3)CC2)CCCO1 ZINC001594851410 954193832 /nfs/dbraw/zinc/19/38/32/954193832.db2.gz RDRNUTCRQZVHDJ-ZDUSSCGKSA-N -1 0 309.326 -0.917 20 0 DBADRM CN(C)c1ccccc1NC(=O)C(=O)NCCOCC(=O)[O-] ZINC001593713003 954198328 /nfs/dbraw/zinc/19/83/28/954198328.db2.gz XUMYMZMHBIUKTM-UHFFFAOYSA-N -1 0 309.322 -0.092 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C[C@@]1(C)CO ZINC001589366252 954199291 /nfs/dbraw/zinc/19/92/91/954199291.db2.gz LUKLNYIZRRDEEW-RSQPEXBXSA-N -1 0 312.366 -0.167 20 0 DBADRM O=C([O-])C1(C(=O)NC2=NCCS2)CCS(=O)(=O)CC1 ZINC001594851927 954202666 /nfs/dbraw/zinc/20/26/66/954202666.db2.gz MFHHEXWJIKICGB-UHFFFAOYSA-N -1 0 306.365 -0.515 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCC[S@](C)=O)CC[C@H]1C(=O)[O-] ZINC001589367374 954206918 /nfs/dbraw/zinc/20/69/18/954206918.db2.gz WCNCSEPVSMEESH-ZLVALASMSA-N -1 0 304.368 -0.950 20 0 DBADRM O=C([O-])C1(C(=O)NC2CC(CO)(CO)C2)CCSCC1 ZINC001594852660 954207025 /nfs/dbraw/zinc/20/70/25/954207025.db2.gz XXQZEHKOQVILJF-UHFFFAOYSA-N -1 0 303.380 -0.166 20 0 DBADRM C[C@@H]1CN(C(=O)C2CN(S(C)(=O)=O)C2)CC[C@@H]1C(=O)[O-] ZINC001589371886 954214261 /nfs/dbraw/zinc/21/42/61/954214261.db2.gz HHSOLPSYIDCRBK-SCZZXKLOSA-N -1 0 304.368 -0.553 20 0 DBADRM CN(C)c1ncc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cn1 ZINC001593715745 954217307 /nfs/dbraw/zinc/21/73/07/954217307.db2.gz USDGUCTZFROHRP-SNVBAGLBSA-N -1 0 314.367 -0.774 20 0 DBADRM CN(CC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001593719011 954238495 /nfs/dbraw/zinc/23/84/95/954238495.db2.gz HPFOAUDXZWQNHR-OUAUKWLOSA-N -1 0 318.395 -0.525 20 0 DBADRM CN(CC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC001593719581 954245347 /nfs/dbraw/zinc/24/53/47/954245347.db2.gz XTDJENVKEAAKDS-KXUCPTDWSA-N -1 0 304.368 -0.915 20 0 DBADRM C[C@@H]1CN(C(=O)NCCOCCOCC(=O)[O-])CC[C@@H]1O ZINC001589375159 954246580 /nfs/dbraw/zinc/24/65/80/954246580.db2.gz DHLBHYUHWISHEB-MNOVXSKESA-N -1 0 304.343 -0.484 20 0 DBADRM O=C([O-])C1(C(=O)NCC2(O)CCS(=O)(=O)CC2)CC=CC1 ZINC001594857285 954250515 /nfs/dbraw/zinc/25/05/15/954250515.db2.gz VTYIZJDUFPGOQO-UHFFFAOYSA-N -1 0 317.363 -0.537 20 0 DBADRM CN(CC(=O)[O-])Cc1cn(Cc2cn(CC3CC3)nn2)nn1 ZINC001593722940 954263242 /nfs/dbraw/zinc/26/32/42/954263242.db2.gz WHBIRVMAIUXSSB-UHFFFAOYSA-N -1 0 305.342 -0.156 20 0 DBADRM CN(CC1(O)CCOCC1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593727052 954283051 /nfs/dbraw/zinc/28/30/51/954283051.db2.gz PKPHYTAXVYNLNE-UHFFFAOYSA-N -1 0 312.326 -0.027 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)[C@H](C(=O)[O-])C1CC1 ZINC001593727933 954295180 /nfs/dbraw/zinc/29/51/80/954295180.db2.gz VGHMAXVBDHMSSJ-NWDGAFQWSA-N -1 0 300.355 -0.751 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001593727932 954295553 /nfs/dbraw/zinc/29/55/53/954295553.db2.gz VGHMAXVBDHMSSJ-NEPJUHHUSA-N -1 0 300.355 -0.751 20 0 DBADRM O=C([O-])C1(C(=O)NCc2ccon2)CCS(=O)(=O)CC1 ZINC001594863842 954304728 /nfs/dbraw/zinc/30/47/28/954304728.db2.gz YDJJDXVKGCYSSP-UHFFFAOYSA-N -1 0 302.308 -0.430 20 0 DBADRM CN(C[C@@H]1CCCN(C(=O)COCC(=O)[O-])C1)S(C)(=O)=O ZINC001593729994 954313830 /nfs/dbraw/zinc/31/38/30/954313830.db2.gz RPNKRAASBJQVOR-JTQLQIEISA-N -1 0 322.383 -0.782 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC001593731302 954319658 /nfs/dbraw/zinc/31/96/58/954319658.db2.gz JHCPVLXSZOBBCJ-JTQLQIEISA-N -1 0 314.338 -0.469 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@H](C2OCCO2)C1 ZINC001593731802 954322428 /nfs/dbraw/zinc/32/24/28/954322428.db2.gz USLKSGPICRDPPE-SECBINFHSA-N -1 0 300.311 -0.859 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCc1ncc2c(n1)CCOC2 ZINC001593731783 954322558 /nfs/dbraw/zinc/32/25/58/954322558.db2.gz TZWOHUDNNYJJLS-UHFFFAOYSA-N -1 0 322.321 -0.901 20 0 DBADRM C[C@@H]1CN(C(=O)c2nc(N)nc(N(C)C)n2)CC[C@@H]1C(=O)[O-] ZINC001589391754 954327317 /nfs/dbraw/zinc/32/73/17/954327317.db2.gz FBRMPJRUAQQKQP-SFYZADRCSA-N -1 0 308.342 -0.297 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC001593733353 954329613 /nfs/dbraw/zinc/32/96/13/954329613.db2.gz YNBBMFRFWLGZKE-UHFFFAOYSA-N -1 0 318.293 -0.466 20 0 DBADRM CN(CCC(=O)[O-])C(=O)NCc1cn(C2CC2)c(=O)[nH]c1=O ZINC001593736185 954337973 /nfs/dbraw/zinc/33/79/73/954337973.db2.gz PJALGURRMCONQM-UHFFFAOYSA-N -1 0 310.310 -0.100 20 0 DBADRM CN(CCCC(=O)NC[C@@](C)(O)C(=O)[O-])C(=O)c1ccncc1 ZINC001593742299 954363213 /nfs/dbraw/zinc/36/32/13/954363213.db2.gz ZKKMRYMUUNHKSB-OAHLLOKOSA-N -1 0 323.349 -0.114 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000385679507 972008669 /nfs/dbraw/zinc/00/86/69/972008669.db2.gz CQMQKCWHNMXFMU-VIFPVBQESA-N -1 0 321.282 -0.664 20 0 DBADRM O=C([O-])C1(C(=O)Nc2ccncc2F)CCS(=O)(=O)CC1 ZINC001594878802 954399542 /nfs/dbraw/zinc/39/95/42/954399542.db2.gz VZKVYHTVXIYFEH-UHFFFAOYSA-N -1 0 316.310 -0.139 20 0 DBADRM CN(CCCNC(=O)[C@@]1(C(=O)[O-])CCCO1)S(C)(=O)=O ZINC001593750440 954400044 /nfs/dbraw/zinc/40/00/44/954400044.db2.gz SGIUHSRHMVXVRI-LLVKDONJSA-N -1 0 308.356 -0.982 20 0 DBADRM CN(CCNC(=O)C1(C(=O)[O-])CC=CC1)CCS(C)(=O)=O ZINC001593750824 954406128 /nfs/dbraw/zinc/40/61/28/954406128.db2.gz IIIQNVNTMUHXHI-UHFFFAOYSA-N -1 0 318.395 -0.500 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)CC(F)F ZINC001593751510 954418960 /nfs/dbraw/zinc/41/89/60/954418960.db2.gz WZPPDPREXMNOPG-VIFPVBQESA-N -1 0 321.324 -0.377 20 0 DBADRM O=C([O-])C1(CNC(=O)C2(N3CCOCC3)CC2)CCOCC1 ZINC001594880070 954419135 /nfs/dbraw/zinc/41/91/35/954419135.db2.gz OPGNFCSMKZQCOY-UHFFFAOYSA-N -1 0 312.366 -0.151 20 0 DBADRM CN(CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)CC(F)F ZINC001593751505 954419376 /nfs/dbraw/zinc/41/93/76/954419376.db2.gz WZPPDPREXMNOPG-SECBINFHSA-N -1 0 321.324 -0.377 20 0 DBADRM O=C([O-])C1(CNC(=O)C(F)(F)C(=O)N2CCOCC2)CCC1 ZINC001594880122 954420558 /nfs/dbraw/zinc/42/05/58/954420558.db2.gz RQPSJOZWSLZCEH-UHFFFAOYSA-N -1 0 320.292 -0.148 20 0 DBADRM CN(CCN1CCCS1(=O)=O)Cc1c(C(=O)[O-])cnn1C ZINC001593751779 954422494 /nfs/dbraw/zinc/42/24/94/954422494.db2.gz LHWFQMHKBOWQKY-UHFFFAOYSA-N -1 0 316.383 -0.414 20 0 DBADRM CN(CCN1CCCS1(=O)=O)Cc1cc(C(=O)[O-])nn1C ZINC001593752146 954427223 /nfs/dbraw/zinc/42/72/23/954427223.db2.gz UPYAWHIRJHEFQC-UHFFFAOYSA-N -1 0 316.383 -0.414 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)C[C@H]2CCCOC2)CCOCC1 ZINC001594883541 954448969 /nfs/dbraw/zinc/44/89/69/954448969.db2.gz WGFPHBFYGHJGOZ-JTQLQIEISA-N -1 0 307.368 -0.034 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593755624 954450194 /nfs/dbraw/zinc/45/01/94/954450194.db2.gz PVMHFHHHMFMLMS-UHFFFAOYSA-N -1 0 315.351 -0.185 20 0 DBADRM CN(Cc1cc(C(=O)[O-])nn1C)C[C@@H]1CCS(=O)(=O)C1 ZINC001593755847 954453193 /nfs/dbraw/zinc/45/31/93/954453193.db2.gz WGHXYCCAGLTWIT-VIFPVBQESA-N -1 0 301.368 -0.015 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC(CNC(=O)C(F)(F)F)C2)C1 ZINC001594885075 954457163 /nfs/dbraw/zinc/45/71/63/954457163.db2.gz FEOOHSUBLSNZAN-ZETCQYMHSA-N -1 0 323.227 -0.647 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1C(=O)C1(CC(=O)[O-])CCOCC1 ZINC001589405187 954458995 /nfs/dbraw/zinc/45/89/95/954458995.db2.gz AMSXYLMHTKYCRI-WDEREUQCSA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)C1 ZINC001594885659 954460471 /nfs/dbraw/zinc/46/04/71/954460471.db2.gz MECVOKGEHZPUIC-XKSSXDPKSA-N -1 0 316.335 -0.891 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1 ZINC001594885658 954460488 /nfs/dbraw/zinc/46/04/88/954460488.db2.gz MECVOKGEHZPUIC-WEDXCCLWSA-N -1 0 316.335 -0.891 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CCC(Cn3cncn3)CC2)C1 ZINC001594886248 954464350 /nfs/dbraw/zinc/46/43/50/954464350.db2.gz RQPPRBOMHDNJOC-LLVKDONJSA-N -1 0 307.310 -0.254 20 0 DBADRM CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001593757225 954466126 /nfs/dbraw/zinc/46/61/26/954466126.db2.gz VRBBAODJRCOZTB-ZBAXXZLZSA-N -1 0 324.377 -0.215 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589407419 954473371 /nfs/dbraw/zinc/47/33/71/954473371.db2.gz SKNALWDIZTWJIY-GZMMTYOYSA-N -1 0 323.305 -0.674 20 0 DBADRM CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000385820897 972016288 /nfs/dbraw/zinc/01/62/88/972016288.db2.gz ROUGVZWBOWUTIE-GXSJLCMTSA-N -1 0 317.367 -0.251 20 0 DBADRM CN(Cc1ccn(C)n1)C(=O)NCCOCCOCC(=O)[O-] ZINC001593763811 954499190 /nfs/dbraw/zinc/49/91/90/954499190.db2.gz PLEKRSRRPGXTLT-UHFFFAOYSA-N -1 0 314.342 -0.321 20 0 DBADRM CN1C(=O)CC[C@@H](NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1=O ZINC001593767224 954530689 /nfs/dbraw/zinc/53/06/89/954530689.db2.gz SGBBQHHUNXKSBO-HBNTYKKESA-N -1 0 323.349 -0.114 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCn3c(nnc3C(F)F)C2)C1 ZINC001594891703 954535503 /nfs/dbraw/zinc/53/55/03/954535503.db2.gz PDWVOLYVEMOEEB-LURJTMIESA-N -1 0 315.236 -0.213 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NCc2nc(-c3ccccn3)n[nH]2)C1 ZINC001594891720 954537183 /nfs/dbraw/zinc/53/71/83/954537183.db2.gz YAURAOYDWMMJCM-SECBINFHSA-N -1 0 316.277 -0.288 20 0 DBADRM CN1C(=O)CN(NC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1=O ZINC001593769749 954538401 /nfs/dbraw/zinc/53/84/01/954538401.db2.gz WBVWQZKJYDVTIM-UHFFFAOYSA-N -1 0 324.297 -0.367 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)C1=O ZINC001593769556 954539082 /nfs/dbraw/zinc/53/90/82/954539082.db2.gz RGLQKPVYXUHLQB-LBPRGKRZSA-N -1 0 305.290 -0.178 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@H](CO)[C@@H](O)C2CCCCC2)C1 ZINC001594892089 954542107 /nfs/dbraw/zinc/54/21/07/954542107.db2.gz PNRTYJNWRAKVEH-WOPDTQHZSA-N -1 0 314.338 -0.366 20 0 DBADRM CN1C(=O)CO[C@H](C(=O)N2CC(C(=O)[O-])C2)[C@H]1c1cccnc1 ZINC001593771960 954544362 /nfs/dbraw/zinc/54/43/62/954544362.db2.gz ONKVJAXMQUCTKH-OLZOCXBDSA-N -1 0 319.317 -0.477 20 0 DBADRM CN1C[C@@H](COC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1=O ZINC001593772282 954549525 /nfs/dbraw/zinc/54/95/25/954549525.db2.gz FNPRAVXFCUEVMY-UWVGGRQHSA-N -1 0 312.322 -0.669 20 0 DBADRM CN1C[C@H](COC(=O)c2cccn(CC(=O)[O-])c2=O)CC1=O ZINC001593772337 954550942 /nfs/dbraw/zinc/55/09/42/954550942.db2.gz HQCGIMPTLFDJJU-SECBINFHSA-N -1 0 308.290 -0.432 20 0 DBADRM CN1C[C@H](C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)CC1=O ZINC001593772458 954552465 /nfs/dbraw/zinc/55/24/65/954552465.db2.gz LFTUHLDLEXDYGY-GPZIFOQPSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N[C@H]2COc3ccccc3C2=O)C1 ZINC001594893105 954552707 /nfs/dbraw/zinc/55/27/07/954552707.db2.gz XZGWEZWFYQKIHM-ONGXEEELSA-N -1 0 304.258 -0.024 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)C1 ZINC001594893686 954554133 /nfs/dbraw/zinc/55/41/33/954554133.db2.gz WGDITCVOBBJVOQ-UMNHJUIQSA-N -1 0 312.322 -0.130 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])c2ccccc2C1=O ZINC001593772660 954554963 /nfs/dbraw/zinc/55/49/63/954554963.db2.gz OBLXKTFZEALWBY-ABAIWWIYSA-N -1 0 306.318 -0.192 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CCC1=O ZINC001593772852 954556636 /nfs/dbraw/zinc/55/66/36/954556636.db2.gz SGNKEVRNFROSGT-LKFCYVNXSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1C[C@H](C(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)CC1=O ZINC001593773108 954559892 /nfs/dbraw/zinc/55/98/92/954559892.db2.gz ZLFNERYKAHOSSQ-SSDOTTSWSA-N -1 0 308.294 -0.472 20 0 DBADRM C[C@H]1c2nncn2CCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001589417366 954567014 /nfs/dbraw/zinc/56/70/14/954567014.db2.gz JLTZCFQTTIIYLQ-DTWKUNHWSA-N -1 0 307.310 -0.886 20 0 DBADRM C[C@H]1c2nncn2CCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589418703 954580200 /nfs/dbraw/zinc/58/02/00/954580200.db2.gz WZHGSFBVPSXCCG-VHSXEESVSA-N -1 0 321.337 -0.496 20 0 DBADRM C[C@H]1c2cccn2CCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001589418720 954580976 /nfs/dbraw/zinc/58/09/76/954580976.db2.gz XRWMFYAMRWPVQL-JQWIXIFHSA-N -1 0 321.333 -0.297 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CCC[C@@H](C(=O)NC3CC3)C2)C1 ZINC001594897579 954581256 /nfs/dbraw/zinc/58/12/56/954581256.db2.gz ADHBJIFVWYKJEM-MNOVXSKESA-N -1 0 309.366 -0.132 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCN(CC(F)(F)F)C(=O)C2)C1 ZINC001594898309 954591977 /nfs/dbraw/zinc/59/19/77/954591977.db2.gz IIGWKKAEJRQCNX-MRVPVSSYSA-N -1 0 323.271 -0.417 20 0 DBADRM CCC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC001589425542 954614029 /nfs/dbraw/zinc/61/40/29/954614029.db2.gz GSVUERPUIIONGG-UEKVPHQBSA-N -1 0 310.350 -0.196 20 0 DBADRM CN1CCC[C@@H](NC(=O)NCCOCCOCC(=O)[O-])C1=O ZINC001593780530 954649825 /nfs/dbraw/zinc/64/98/25/954649825.db2.gz GPCKCCGKKUWBFC-SNVBAGLBSA-N -1 0 317.342 -0.976 20 0 DBADRM CN1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)[C@H](CO)C1 ZINC001593781342 954669289 /nfs/dbraw/zinc/66/92/89/954669289.db2.gz UTHKHJTZBLSZOH-LBPRGKRZSA-N -1 0 308.334 -0.102 20 0 DBADRM CN1CCN(C(=O)CNC(=O)C2(C(=O)[O-])CCCCC2)CC1 ZINC001593781421 954671586 /nfs/dbraw/zinc/67/15/86/954671586.db2.gz MPCAWQRXPWFJRO-UHFFFAOYSA-N -1 0 311.382 -0.088 20 0 DBADRM CN1CCCC[C@@H](C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1=O ZINC001593781494 954673668 /nfs/dbraw/zinc/67/36/68/954673668.db2.gz SDFAEQGTCHGXLI-RWSFTLGLSA-N -1 0 310.350 -0.196 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001589436182 954689105 /nfs/dbraw/zinc/68/91/05/954689105.db2.gz ZNRUUQPRBRCHFI-LBPRGKRZSA-N -1 0 320.349 -0.047 20 0 DBADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC001589438155 954695880 /nfs/dbraw/zinc/69/58/80/954695880.db2.gz DENYCDRKENCKFL-MRVPVSSYSA-N -1 0 324.341 -0.774 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC001589438156 954696086 /nfs/dbraw/zinc/69/60/86/954696086.db2.gz DENYCDRKENCKFL-QMMMGPOBSA-N -1 0 324.341 -0.774 20 0 DBADRM CN1CCO[C@@H](C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001593786723 954706193 /nfs/dbraw/zinc/70/61/93/954706193.db2.gz DMOZYSOITPXTDJ-XWAURUHHSA-N -1 0 312.366 -0.154 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC001593787301 954721852 /nfs/dbraw/zinc/72/18/52/954721852.db2.gz AWERRFOLKKEGNT-JTQLQIEISA-N -1 0 306.384 -0.509 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001593787396 954723697 /nfs/dbraw/zinc/72/36/97/954723697.db2.gz GNQDKVIALCWOBR-HBNTYKKESA-N -1 0 306.384 -0.510 20 0 DBADRM CN1CCO[C@H](C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1=O ZINC001593787653 954728543 /nfs/dbraw/zinc/72/85/43/954728543.db2.gz UHBVQUGWSOMZIL-SECBINFHSA-N -1 0 310.310 -0.502 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])C1=O ZINC001593787983 954732479 /nfs/dbraw/zinc/73/24/79/954732479.db2.gz XXQKZRWSXMSTDK-RYUDHWBXSA-N -1 0 322.317 -0.639 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCn1nc(C)oc1=O ZINC001589442702 954733032 /nfs/dbraw/zinc/73/30/32/954733032.db2.gz LUZIVJYMQVRMJJ-QMMMGPOBSA-N -1 0 307.328 -0.730 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001589442721 954733131 /nfs/dbraw/zinc/73/31/31/954733131.db2.gz MHYWBUFQIOEGOC-SKLCBMLGSA-N -1 0 301.390 -0.399 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCc3c[nH]nc3C2)CC1 ZINC001594915101 954738712 /nfs/dbraw/zinc/73/87/12/954738712.db2.gz QKWJZJJZAOEZAM-UHFFFAOYSA-N -1 0 306.322 -0.382 20 0 DBADRM CNC(=O)[C@@H](NC(=O)COC(=O)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001593789264 954750421 /nfs/dbraw/zinc/75/04/21/954750421.db2.gz RRCGZYFIAXJPSI-SKDRFNHKSA-N -1 0 322.317 -0.146 20 0 DBADRM CNC(=O)[C@@H](NC(=O)COC(=O)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC001593789261 954751019 /nfs/dbraw/zinc/75/10/19/954751019.db2.gz RRCGZYFIAXJPSI-CABZTGNLSA-N -1 0 322.317 -0.146 20 0 DBADRM CNC(=O)[C@]1(C)CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001593789543 954753698 /nfs/dbraw/zinc/75/36/98/954753698.db2.gz XPSIMZVMSWDBRP-OAHLLOKOSA-N -1 0 321.333 -0.469 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)c2coc(/C=C\C(=O)[O-])c2)CCO1 ZINC001593791562 954760269 /nfs/dbraw/zinc/76/02/69/954760269.db2.gz CRMOPGCDAQIOFM-QUCGXOGASA-N -1 0 308.290 -0.036 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)c2coc(/C=C\C(=O)[O-])c2)CCO1 ZINC001593791561 954760775 /nfs/dbraw/zinc/76/07/75/954760775.db2.gz CRMOPGCDAQIOFM-OTDNITJGSA-N -1 0 308.290 -0.036 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)c2coc(/C=C/C(=O)[O-])c2)CCO1 ZINC001593791560 954760871 /nfs/dbraw/zinc/76/08/71/954760871.db2.gz CRMOPGCDAQIOFM-KXMPLOMGSA-N -1 0 308.290 -0.036 20 0 DBADRM CNC(=O)[C@@H]1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC001593791828 954762800 /nfs/dbraw/zinc/76/28/00/954762800.db2.gz MIMHHUBUYUGCLM-SNVBAGLBSA-N -1 0 313.354 -0.658 20 0 DBADRM CNC(=O)CC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001593792401 954767862 /nfs/dbraw/zinc/76/78/62/954767862.db2.gz YPCRALQIYMCXMV-SECBINFHSA-N -1 0 311.338 -0.953 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CC[C@H](OC(F)F)C2)C1 ZINC001594917662 954774734 /nfs/dbraw/zinc/77/47/34/954774734.db2.gz VYLISHANLQZJDL-YUMQZZPRSA-N -1 0 306.265 -0.240 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN(CC(F)F)CC2)C1 ZINC001594917646 954774773 /nfs/dbraw/zinc/77/47/73/954774773.db2.gz VLGLEXAHBJCQLA-VIFPVBQESA-N -1 0 319.308 -0.671 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001593793599 954785028 /nfs/dbraw/zinc/78/50/28/954785028.db2.gz QLKXHEDFQDRRRK-UHFFFAOYSA-N -1 0 307.306 -0.496 20 0 DBADRM CNC(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)cn1 ZINC001593794360 954794413 /nfs/dbraw/zinc/79/44/13/954794413.db2.gz LSMZCLFEIMHOCQ-NSHDSACASA-N -1 0 317.305 -0.270 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001593795024 954802966 /nfs/dbraw/zinc/80/29/66/954802966.db2.gz LEOZFGXTMLBLOB-KXUCPTDWSA-N -1 0 314.342 -0.811 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001593797901 954825034 /nfs/dbraw/zinc/82/50/34/954825034.db2.gz DPBVWIPLVHQAHC-SNVBAGLBSA-N -1 0 306.384 -0.067 20 0 DBADRM CNS(=O)(=O)N1CCC(c2nc([C@H](C)C(=O)[O-])no2)CC1 ZINC001593798182 954828157 /nfs/dbraw/zinc/82/81/57/954828157.db2.gz NDBMJQBWWXROPD-ZETCQYMHSA-N -1 0 318.355 -0.099 20 0 DBADRM CNS(=O)(=O)CCCOC(=O)c1ccc(C(=O)[O-])nc1 ZINC001593798220 954829696 /nfs/dbraw/zinc/82/96/96/954829696.db2.gz ORNKIAYIDYYGMH-UHFFFAOYSA-N -1 0 302.308 -0.124 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(Cc2c(C(=O)[O-])cnn2C)C1 ZINC001593798380 954832698 /nfs/dbraw/zinc/83/26/98/954832698.db2.gz VZIKHQWKMHQJJW-QMMMGPOBSA-N -1 0 302.356 -0.758 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001593798975 954842689 /nfs/dbraw/zinc/84/26/89/954842689.db2.gz KYQVSJVPOALYFS-UHFFFAOYSA-N -1 0 301.324 -0.694 20 0 DBADRM CN1CCCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001598600267 1017329575 /nfs/dbraw/zinc/32/95/75/1017329575.db2.gz GOKMNNWCDNCZJG-UWVGGRQHSA-N -1 0 304.368 -0.819 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)CCc1nc2ccccc2[nH]1 ZINC000386373837 972049448 /nfs/dbraw/zinc/04/94/48/972049448.db2.gz GNJFBPXUBCAZCH-UHFFFAOYSA-N -1 0 304.306 -0.188 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CC(c3cccnc3)=NO2)CCO1 ZINC001594941236 954894090 /nfs/dbraw/zinc/89/40/90/954894090.db2.gz CJPJWBYJRODGNO-VXGBXAGGSA-N -1 0 305.290 -0.113 20 0 DBADRM O=C([O-])C1CN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 ZINC001594941297 954895341 /nfs/dbraw/zinc/89/53/41/954895341.db2.gz GSVIYOZMTFPBNA-JTQLQIEISA-N -1 0 303.318 -0.027 20 0 DBADRM O=C([O-])C1CN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)C1 ZINC001594941572 954900847 /nfs/dbraw/zinc/90/08/47/954900847.db2.gz UMNLAUULIFBQGV-WDEREUQCSA-N -1 0 305.290 -0.500 20 0 DBADRM COC(=O)[C@](C)(O)CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001593805754 954903507 /nfs/dbraw/zinc/90/35/07/954903507.db2.gz RKVJMDIUMRUGCR-CQSZACIVSA-N -1 0 311.290 -0.196 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)NCC[C@@H]2CCCS2(=O)=O)CCO1 ZINC001594946168 954914096 /nfs/dbraw/zinc/91/40/96/954914096.db2.gz CHSMMLRETZYLGY-VHSXEESVSA-N -1 0 320.367 -0.551 20 0 DBADRM COC(=O)[C@H](N[C@@H]1CCN(CC(=O)[O-])C1=O)C1CCOCC1 ZINC001593810373 954930530 /nfs/dbraw/zinc/93/05/30/954930530.db2.gz DKBCCUCZKZGPHE-ZYHUDNBSSA-N -1 0 314.338 -0.770 20 0 DBADRM COC(=O)[C@@H](N[C@H]1CCN(CC(=O)[O-])C1=O)C1CCOCC1 ZINC001593810371 954930733 /nfs/dbraw/zinc/93/07/33/954930733.db2.gz DKBCCUCZKZGPHE-JQWIXIFHSA-N -1 0 314.338 -0.770 20 0 DBADRM COC(=O)[C@@H](Cn1cncn1)NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001593810515 954932031 /nfs/dbraw/zinc/93/20/31/954932031.db2.gz IXWGCBRWHNXDEH-YGRLFVJLSA-N -1 0 322.321 -0.253 20 0 DBADRM COC(=O)[C@@H](NCC(=O)NCC(=O)[O-])c1ccc2c(c1)CCO2 ZINC001593811140 954940191 /nfs/dbraw/zinc/94/01/91/954940191.db2.gz KNHADKMPJDWBRH-AWEZNQCLSA-N -1 0 322.317 -0.374 20 0 DBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001593811326 954943479 /nfs/dbraw/zinc/94/34/79/954943479.db2.gz PSYRAOKRHTWRDI-NSHDSACASA-N -1 0 318.289 -0.052 20 0 DBADRM COC(=O)[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1cccnc1 ZINC001593811635 954947496 /nfs/dbraw/zinc/94/74/96/954947496.db2.gz SEXJOZQODMXUCT-NXEZZACHSA-N -1 0 307.262 -0.359 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)c2cn(-c3cccnc3)nn2)CCO1 ZINC001594951795 954959372 /nfs/dbraw/zinc/95/93/72/954959372.db2.gz ZBYMRAMBKWQKKN-NSHDSACASA-N -1 0 303.278 -0.412 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2CC[C@@H]2CCCCO2)CCO1 ZINC001594954509 954976233 /nfs/dbraw/zinc/97/62/33/954976233.db2.gz HLHYTDVKKZHTQE-WDEREUQCSA-N -1 0 311.342 -0.078 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2CC[C@@H]2CCCOC2)CCO1 ZINC001594954718 954979095 /nfs/dbraw/zinc/97/90/95/954979095.db2.gz SZUGRBLKTZIMPG-WDEREUQCSA-N -1 0 311.342 -0.220 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000386490448 972058466 /nfs/dbraw/zinc/05/84/66/972058466.db2.gz SCVNWMIUOSEONK-QMMMGPOBSA-N -1 0 319.383 -0.786 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])CC1 ZINC001593814627 954988685 /nfs/dbraw/zinc/98/86/85/954988685.db2.gz WECKBBVXOXZVEQ-MRVPVSSYSA-N -1 0 307.324 -0.945 20 0 DBADRM COC(=O)[C@]1(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCSC1 ZINC001593814716 954989487 /nfs/dbraw/zinc/98/94/87/954989487.db2.gz QPMQVKWBMZCDES-HQJQHLMTSA-N -1 0 302.308 -0.619 20 0 DBADRM COC(=O)[C@]1(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCSC1 ZINC001593814715 954989634 /nfs/dbraw/zinc/98/96/34/954989634.db2.gz QPMQVKWBMZCDES-CPCISQLKSA-N -1 0 302.308 -0.619 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1cccc(Nc2nn[nH]n2)c1 ZINC001594957467 954990569 /nfs/dbraw/zinc/99/05/69/954990569.db2.gz JHBAZLQDUHZMAH-SNVBAGLBSA-N -1 0 318.293 -0.131 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001594957727 954994501 /nfs/dbraw/zinc/99/45/01/954994501.db2.gz YWIHTHYXOGIZRR-GXSJLCMTSA-N -1 0 310.310 -0.760 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1COc2ccc(O)cc2O1 ZINC001594957905 954995253 /nfs/dbraw/zinc/99/52/53/954995253.db2.gz UUWNZAAUCJGAMO-CABZTGNLSA-N -1 0 309.274 -0.156 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1ccoc1 ZINC001594959671 955001409 /nfs/dbraw/zinc/00/14/09/955001409.db2.gz ANYDDBPSULJCPJ-JTQLQIEISA-N -1 0 301.320 -0.078 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCN1CC[C@H](F)C1 ZINC001594959795 955002120 /nfs/dbraw/zinc/00/21/20/955002120.db2.gz FWNGZTKXTFSOLE-UWVGGRQHSA-N -1 0 322.358 -0.870 20 0 DBADRM COC(=O)C1=NO[C@]2(CCN(C(=O)NCCCC(=O)[O-])C2)C1 ZINC001593816066 955002964 /nfs/dbraw/zinc/00/29/64/955002964.db2.gz MVQKVQPWGOYMDV-CYBMUJFWSA-N -1 0 313.310 -0.045 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001593816022 955002976 /nfs/dbraw/zinc/00/29/76/955002976.db2.gz MBLFMNZDWNQZJA-YUMQZZPRSA-N -1 0 309.278 -0.829 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C\[C@H]1CCCO1 ZINC001594959901 955004151 /nfs/dbraw/zinc/00/41/51/955004151.db2.gz JGNLRMGLAMDZMQ-QKMQQOOLSA-N -1 0 303.336 -0.568 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CC[C@H]1CCCO1 ZINC001594960427 955010661 /nfs/dbraw/zinc/01/06/61/955010661.db2.gz XITQBMLZWRSFHJ-NXEZZACHSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CC[C@@H]1CCCO1 ZINC001594960428 955011151 /nfs/dbraw/zinc/01/11/51/955011151.db2.gz XITQBMLZWRSFHJ-UWVGGRQHSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CC[C@@H]1CCCO1 ZINC001594960429 955011351 /nfs/dbraw/zinc/01/13/51/955011351.db2.gz XITQBMLZWRSFHJ-VHSXEESVSA-N -1 0 305.352 -0.344 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc2ncccn2n1 ZINC001594960674 955013122 /nfs/dbraw/zinc/01/31/22/955013122.db2.gz BJQAYNRGSKQPJL-VIFPVBQESA-N -1 0 324.318 -0.947 20 0 DBADRM CCC(CC)(CNC(=O)NC[C@@H](O)CS(C)(=O)=O)C(=O)[O-] ZINC001589493448 955013714 /nfs/dbraw/zinc/01/37/14/955013714.db2.gz GSPWZDLDMVRNIS-SECBINFHSA-N -1 0 324.399 -0.418 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@@H]1CN(C2CC2)C(=O)O1 ZINC001594960898 955014944 /nfs/dbraw/zinc/01/49/44/955014944.db2.gz GMWQVMLCIIUBPA-ZJUUUORDSA-N -1 0 318.351 -0.847 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ncccc1O ZINC001594961466 955019322 /nfs/dbraw/zinc/01/93/22/955019322.db2.gz LNRFYXNKCHJKGW-ZETCQYMHSA-N -1 0 300.292 -0.889 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@@H](O)c1ccccn1 ZINC001594961875 955020442 /nfs/dbraw/zinc/02/04/42/955020442.db2.gz NSZUDOSFOXVZOX-GHMZBOCLSA-N -1 0 300.336 -0.701 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccnn1C(F)F ZINC001594962247 955022294 /nfs/dbraw/zinc/02/22/94/955022294.db2.gz QJEIPKYLDHRKBZ-SSDOTTSWSA-N -1 0 323.277 -0.398 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(CO)cc1 ZINC001594963234 955030230 /nfs/dbraw/zinc/03/02/30/955030230.db2.gz ZLTHEJARPGLJEH-LLVKDONJSA-N -1 0 313.331 -0.497 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1ccc(Cl)nn1 ZINC001594964377 955036222 /nfs/dbraw/zinc/03/62/22/955036222.db2.gz CSEWVQAWBKHGAS-QMMMGPOBSA-N -1 0 305.743 -0.186 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)C(=O)[O-] ZINC001589517153 955069155 /nfs/dbraw/zinc/06/91/55/955069155.db2.gz CGNQTHCENSXHJA-GHMZBOCLSA-N -1 0 311.382 -0.020 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CC[C@H](C2OCCO2)C1)C(=O)[O-] ZINC001589517052 955069962 /nfs/dbraw/zinc/06/99/62/955069962.db2.gz AKTSABISKJEENW-UWVGGRQHSA-N -1 0 314.338 -0.565 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N[C@@H](C)CN1CCOCC1)C(=O)[O-] ZINC001589517593 955074397 /nfs/dbraw/zinc/07/43/97/955074397.db2.gz HPTGTMRKDWRLSQ-WDEREUQCSA-N -1 0 315.370 -0.950 20 0 DBADRM CC[C@H](CNC(=O)N(C)C[C@@H](O)CN1CCOCC1)C(=O)[O-] ZINC001589524828 955101241 /nfs/dbraw/zinc/10/12/41/955101241.db2.gz GIWGUZMMXFZDRH-VXGBXAGGSA-N -1 0 317.386 -0.568 20 0 DBADRM COC(=O)C1CC2(C1)CN(Cc1ncnn1C)C[C@H]2C(=O)[O-] ZINC001593826096 955105595 /nfs/dbraw/zinc/10/55/95/955105595.db2.gz PBSBWLILVPRTKP-XIRUVYRFSA-N -1 0 308.338 -0.099 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000386630586 972069805 /nfs/dbraw/zinc/06/98/05/972069805.db2.gz GDWSHGVNZJZLBG-AOOOYVTPSA-N -1 0 324.314 -0.722 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CCO1 ZINC001593827528 955115055 /nfs/dbraw/zinc/11/50/55/955115055.db2.gz DWVCJTZJSNFGLI-DCAQKATOSA-N -1 0 315.322 -0.343 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C[C@@H]1C(=O)OC ZINC001593827759 955116697 /nfs/dbraw/zinc/11/66/97/955116697.db2.gz IIBPIMSFJVTAPJ-IMSYWVGJSA-N -1 0 313.306 -0.482 20 0 DBADRM CC[C@H](CNC(=O)CN1CCC[C@@H](C(=O)OC)C1=O)C(=O)[O-] ZINC001589526303 955119284 /nfs/dbraw/zinc/11/92/84/955119284.db2.gz RGACAEJXUGWEAI-NXEZZACHSA-N -1 0 314.338 -0.375 20 0 DBADRM CC[C@@H](CNC(=O)N1CC[C@@H](S(=O)(=O)NC)C1)C(=O)[O-] ZINC001589526440 955121552 /nfs/dbraw/zinc/12/15/52/955121552.db2.gz JJQRDKYSJQOOAG-DTWKUNHWSA-N -1 0 307.372 -0.570 20 0 DBADRM CC[C@@H](CNC(=O)N1CCS(=O)(=O)C[C@@H]1CCO)C(=O)[O-] ZINC001589528824 955140075 /nfs/dbraw/zinc/14/00/75/955140075.db2.gz OGLAACINTNZQSX-UWVGGRQHSA-N -1 0 322.383 -0.712 20 0 DBADRM CC[C@H](CNC(=O)N1CCS(=O)(=O)C[C@H]1CCO)C(=O)[O-] ZINC001589528823 955141013 /nfs/dbraw/zinc/14/10/13/955141013.db2.gz OGLAACINTNZQSX-NXEZZACHSA-N -1 0 322.383 -0.712 20 0 DBADRM COC(=O)[C@@H]1CCCCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001593830054 955144437 /nfs/dbraw/zinc/14/44/37/955144437.db2.gz WFSPMVKRXMEGIK-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM CC[C@@H](CNC(=O)N1CCN(c2nccnn2)CC1)C(=O)[O-] ZINC001589529567 955145806 /nfs/dbraw/zinc/14/58/06/955145806.db2.gz XOVOZOXXHFGCOE-JTQLQIEISA-N -1 0 308.342 -0.186 20 0 DBADRM COC(=O)C[C@](C)(NCC(=O)NCC(=O)[O-])c1ccccn1 ZINC001593831562 955154722 /nfs/dbraw/zinc/15/47/22/955154722.db2.gz FEQSMOVQXAJGCL-AWEZNQCLSA-N -1 0 309.322 -0.350 20 0 DBADRM CC[C@@H](CNC(=O)NC[C@@]12COC(=O)N1CCOC2)C(=O)[O-] ZINC001589535481 955158603 /nfs/dbraw/zinc/15/86/03/955158603.db2.gz SENWSXVZWJCNFL-TVQRCGJNSA-N -1 0 315.326 -0.382 20 0 DBADRM COC(=O)C[C@@]1(NC(=O)c2cc(C(=O)[O-])nn2C)CCOC1 ZINC001593832694 955166553 /nfs/dbraw/zinc/16/65/53/955166553.db2.gz GILUXYOMESVJAP-ZDUSSCGKSA-N -1 0 311.294 -0.430 20 0 DBADRM COC(=O)CCCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001593834065 955175097 /nfs/dbraw/zinc/17/50/97/955175097.db2.gz HXWJDDNLFJEURC-CQSZACIVSA-N -1 0 314.338 -0.231 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC000386728854 972076321 /nfs/dbraw/zinc/07/63/21/972076321.db2.gz BONJDDBVBYGSQG-IINYFYTJSA-N -1 0 306.322 -0.507 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@]1(C)CCCS1(=O)=O ZINC001593835674 955178881 /nfs/dbraw/zinc/17/88/81/955178881.db2.gz GJIOOHWERJFUJX-GFCCVEGCSA-N -1 0 321.351 -0.570 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C1(S(C)(=O)=O)CCC1 ZINC001593835642 955178938 /nfs/dbraw/zinc/17/89/38/955178938.db2.gz FFOVTCXXDQJNJT-UHFFFAOYSA-N -1 0 321.351 -0.570 20 0 DBADRM CC[C@H](CNC(=O)NCCCN1C(=O)CNC1=O)C(=O)[O-] ZINC001589539243 955189764 /nfs/dbraw/zinc/18/97/64/955189764.db2.gz YBOVXKCOQDNXET-MRVPVSSYSA-N -1 0 300.315 -0.662 20 0 DBADRM Cc1nc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)cn1C ZINC000386787885 972080311 /nfs/dbraw/zinc/08/03/11/972080311.db2.gz MKMXCQHECZSHJJ-UHFFFAOYSA-N -1 0 303.340 -0.671 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)C12CC(C(=O)OC)(C1)C2 ZINC001593836160 955314608 /nfs/dbraw/zinc/31/46/08/955314608.db2.gz SJXCACNPBBLBQG-UHFFFAOYSA-N -1 0 313.306 -0.194 20 0 DBADRM COC(=O)C[C@@H]1CS(=O)(=O)CCN1CCCCC(=O)[O-] ZINC001593836690 955317965 /nfs/dbraw/zinc/31/79/65/955317965.db2.gz HDWSSJCSQRGKHR-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM COC(=O)C[C@H]1CS(=O)(=O)CCN1CCCCC(=O)[O-] ZINC001593836689 955318130 /nfs/dbraw/zinc/31/81/30/955318130.db2.gz HDWSSJCSQRGKHR-JTQLQIEISA-N -1 0 307.368 -0.097 20 0 DBADRM COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)CCC(=O)[O-] ZINC001593836804 955320060 /nfs/dbraw/zinc/32/00/60/955320060.db2.gz JXABUDNCBKSXCL-QMMMGPOBSA-N -1 0 307.324 -0.960 20 0 DBADRM Cc1nonc1C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001594501049 955321312 /nfs/dbraw/zinc/32/13/12/955321312.db2.gz FWRYKUXKLUGCDK-SECBINFHSA-N -1 0 322.321 -0.084 20 0 DBADRM COC(=O)C[C@H]1CCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593837405 955323468 /nfs/dbraw/zinc/32/34/68/955323468.db2.gz SRDOXFDBOMDUHS-ZJUUUORDSA-N -1 0 320.367 -0.192 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)Cc1nnc(C2CC2)[nH]1 ZINC001593839127 955337299 /nfs/dbraw/zinc/33/72/99/955337299.db2.gz MPVUTGCLDMXEAC-UHFFFAOYSA-N -1 0 310.310 -0.299 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1c(C)c(C)n[nH]c1=O ZINC001593839295 955340141 /nfs/dbraw/zinc/34/01/41/955340141.db2.gz QTFWSEIHSZEPTC-UHFFFAOYSA-N -1 0 311.294 -0.111 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1c(C)nc(N)nc1C ZINC001593839358 955341813 /nfs/dbraw/zinc/34/18/13/955341813.db2.gz UQCKRNYLCKXPQH-UHFFFAOYSA-N -1 0 310.310 -0.234 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)CNC(=O)C(C)(C)C ZINC001593839542 955344677 /nfs/dbraw/zinc/34/46/77/955344677.db2.gz KAQGLCHUHXMQIE-UHFFFAOYSA-N -1 0 302.327 -0.375 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CCc2cncn2C1 ZINC001593839631 955345690 /nfs/dbraw/zinc/34/56/90/955345690.db2.gz OHWDNZISXLQNJL-JTQLQIEISA-N -1 0 309.322 -0.078 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])CN1C[C@@]2(CCOC2)CC1=O ZINC001593840683 955356988 /nfs/dbraw/zinc/35/69/88/955356988.db2.gz AXSKZLUISCRULL-CQSZACIVSA-N -1 0 314.338 -0.467 20 0 DBADRM Cc1oc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1CO ZINC001594506847 955364892 /nfs/dbraw/zinc/36/48/92/955364892.db2.gz QJBMSFPRKKNDDV-VIFPVBQESA-N -1 0 317.319 -0.596 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000386924725 972091295 /nfs/dbraw/zinc/09/12/95/972091295.db2.gz MAQATOPYYAHQJR-UHFFFAOYSA-N -1 0 311.250 -0.709 20 0 DBADRM COC(=O)CCN1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C[C@@H]1C ZINC001593844458 955396138 /nfs/dbraw/zinc/39/61/38/955396138.db2.gz JXZNEAQPVQZAQS-VIFPVBQESA-N -1 0 324.337 -0.183 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(Cn2cccn2)o1 ZINC000386942255 972092669 /nfs/dbraw/zinc/09/26/69/972092669.db2.gz PWIUSPDBZMJACN-UHFFFAOYSA-N -1 0 306.278 -0.545 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H]1CCCCN(C)C1=O)C(=O)[O-] ZINC001593845153 955404699 /nfs/dbraw/zinc/40/46/99/955404699.db2.gz FHENDMDGWXUVHS-ZJUUUORDSA-N -1 0 314.338 -0.233 20 0 DBADRM Cn1c(-c2cnsn2)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001594516044 955415602 /nfs/dbraw/zinc/41/56/02/955415602.db2.gz SUTZODZXJLPUCG-JMCQJSRRSA-N -1 0 322.350 -0.129 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)C(=O)[O-] ZINC001593846321 955417148 /nfs/dbraw/zinc/41/71/48/955417148.db2.gz QGAREDHXPRLYFK-QWRGUYRKSA-N -1 0 315.370 -0.855 20 0 DBADRM Cn1c2[nH]c(CN(CC(=O)[O-])C3CCC3)nc2c(=O)n(C)c1=O ZINC001594517304 955420866 /nfs/dbraw/zinc/42/08/66/955420866.db2.gz MWMSCRCKVNNJCK-UHFFFAOYSA-N -1 0 321.337 -0.601 20 0 DBADRM Cn1c(=O)ccc2ccc(NC(=O)C(=O)NCC(=O)[O-])cc21 ZINC001594517347 955421917 /nfs/dbraw/zinc/42/19/17/955421917.db2.gz PRZRDZOLSCDCRS-UHFFFAOYSA-N -1 0 303.274 -0.322 20 0 DBADRM COC(=O)CC[C@H](NC(=O)C[C@@H]1CCCS1(=O)=O)C(=O)[O-] ZINC001593846575 955422028 /nfs/dbraw/zinc/42/20/28/955422028.db2.gz VEKIMTAVYMGMPD-IUCAKERBSA-N -1 0 321.351 -0.524 20 0 DBADRM C[C@H](CCCCO)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589014710 955425536 /nfs/dbraw/zinc/42/55/36/955425536.db2.gz UNZJUQGAJTVAEU-SNVBAGLBSA-N -1 0 321.395 -0.067 20 0 DBADRM Cn1c(=O)n2c(c1C(=O)Nc1ncn(CC(=O)[O-])n1)CCCC2 ZINC001594517612 955426205 /nfs/dbraw/zinc/42/62/05/955426205.db2.gz CHHJDHKBALYIOP-UHFFFAOYSA-N -1 0 320.309 -0.549 20 0 DBADRM C[C@H](CCCO)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589015150 955430684 /nfs/dbraw/zinc/43/06/84/955430684.db2.gz ZCWFLABQOMFZHH-SNVBAGLBSA-N -1 0 321.395 -0.209 20 0 DBADRM C[C@@H](CCNC(=O)c1cccn(CC(=O)[O-])c1=O)[S@](C)=O ZINC001589015470 955433313 /nfs/dbraw/zinc/43/33/13/955433313.db2.gz NSZZLNJALLAPNF-FPVGNUTFSA-N -1 0 314.363 -0.180 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001594518561 955443921 /nfs/dbraw/zinc/44/39/21/955443921.db2.gz HZIFKQGWYQHALX-UHFFFAOYSA-N -1 0 306.278 -0.086 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001594518545 955443943 /nfs/dbraw/zinc/44/39/43/955443943.db2.gz HEQCGIXDUWYCKL-DTWKUNHWSA-N -1 0 309.326 -0.227 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001593850552 955450436 /nfs/dbraw/zinc/45/04/36/955450436.db2.gz INAILNZHZHDFCH-UHLUBPPHSA-N -1 0 301.295 -0.292 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NC1COC(C)(C)OC1)C(=O)[O-] ZINC001589019496 955452215 /nfs/dbraw/zinc/45/22/15/955452215.db2.gz FROKFJRMLQTIMK-QMMMGPOBSA-N -1 0 302.327 -0.567 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCn2cnnc2[C@@H]1C)C(=O)[O-] ZINC001589019770 955458274 /nfs/dbraw/zinc/45/82/74/955458274.db2.gz JOFUDANMHNIFIO-IUCAKERBSA-N -1 0 309.326 -0.640 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)Nc1cccnc1C(=O)[O-] ZINC001593851293 955460215 /nfs/dbraw/zinc/46/02/15/955460215.db2.gz HJXCJZZUIJBOAW-UHFFFAOYSA-N -1 0 310.266 -0.810 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NC[C@H]1COC(C)(C)O1)C(=O)[O-] ZINC001589020308 955464921 /nfs/dbraw/zinc/46/49/21/955464921.db2.gz RKHOOPIFVOVYDK-BDAKNGLRSA-N -1 0 302.327 -0.567 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CC[C@@H](CCCO)C1)C(=O)[O-] ZINC001589020517 955467619 /nfs/dbraw/zinc/46/76/19/955467619.db2.gz UJXAUDSCYDYDTN-WDEREUQCSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CC[C@@H](n2cncn2)C1)C(=O)[O-] ZINC001589020725 955468749 /nfs/dbraw/zinc/46/87/49/955468749.db2.gz VKNIRCQUSBRXNQ-VHSXEESVSA-N -1 0 309.326 -0.769 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N(C)CC1(O)CCOCC1)C(=O)[O-] ZINC001589020728 955468877 /nfs/dbraw/zinc/46/88/77/955468877.db2.gz VKOJGLOUKSDTQK-SNVBAGLBSA-N -1 0 316.354 -0.835 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)NCc1cnn(CCF)c1)C(=O)[O-] ZINC001589022562 955482383 /nfs/dbraw/zinc/48/23/83/955482383.db2.gz PJWVGGHCTGNYDF-VIFPVBQESA-N -1 0 314.317 -0.352 20 0 DBADRM COC(=O)C[C@@H]1CC[C@H](NC(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001593854792 955487406 /nfs/dbraw/zinc/48/74/06/955487406.db2.gz LSZMZEWOAIOKCF-BDAKNGLRSA-N -1 0 310.310 -0.176 20 0 DBADRM COC(=O)N1CCC(C(=O)N2CCOC[C@H]2C(=O)[O-])CC1 ZINC001593856866 955508484 /nfs/dbraw/zinc/50/84/84/955508484.db2.gz PMLVEPJZBGWBFJ-JTQLQIEISA-N -1 0 300.311 -0.223 20 0 DBADRM Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)COCC(=O)[O-])cn1 ZINC001594526864 955509419 /nfs/dbraw/zinc/50/94/19/955509419.db2.gz NNSPSFNGPVNITI-NSHDSACASA-N -1 0 324.337 -0.758 20 0 DBADRM COC(=O)N1CCCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001593857103 955512007 /nfs/dbraw/zinc/51/20/07/955512007.db2.gz VOUMOQUFFDEVIZ-CYBMUJFWSA-N -1 0 300.311 -0.079 20 0 DBADRM Cn1ncc2c1n(C)cc(C(=O)N1CCOC[C@@H]1C(=O)[O-])c2=O ZINC001594527276 955511967 /nfs/dbraw/zinc/51/19/67/955511967.db2.gz ZRRBBOLPOYFYKW-SNVBAGLBSA-N -1 0 320.305 -0.802 20 0 DBADRM COC(=O)NCC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001593858121 955518941 /nfs/dbraw/zinc/51/89/41/955518941.db2.gz GJQJTNKOBIFKPW-NXEZZACHSA-N -1 0 324.337 -0.207 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cn1 ZINC001594531040 955533168 /nfs/dbraw/zinc/53/31/68/955533168.db2.gz FQAJLPYGGHYWSS-RYUDHWBXSA-N -1 0 304.306 -0.339 20 0 DBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)[C@H]3CCNC3=O)C2)cn1 ZINC001594531675 955539610 /nfs/dbraw/zinc/53/96/10/955539610.db2.gz LWHJNZFDCQKPGC-SCVCMEIPSA-N -1 0 320.349 -0.427 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)[C@H]3CCC(=O)N3)C2)cn1 ZINC001594531922 955541996 /nfs/dbraw/zinc/54/19/96/955541996.db2.gz OOECGLBNVVMJJX-CKYFFXLPSA-N -1 0 320.349 -0.285 20 0 DBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)C3(O)COC3)C2)cn1 ZINC001594532856 955547932 /nfs/dbraw/zinc/54/79/32/955547932.db2.gz WGBCROHWDIEENV-UWVGGRQHSA-N -1 0 309.322 -0.802 20 0 DBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)C3(O)COC3)C2)cn1 ZINC001594532855 955548233 /nfs/dbraw/zinc/54/82/33/955548233.db2.gz WGBCROHWDIEENV-NXEZZACHSA-N -1 0 309.322 -0.802 20 0 DBADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(CC(F)F)C1)C(=O)[O-] ZINC001589037088 955558260 /nfs/dbraw/zinc/55/82/60/955558260.db2.gz VCJUMQWSMTVPDW-YUMQZZPRSA-N -1 0 307.297 -0.721 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001593863477 955563972 /nfs/dbraw/zinc/56/39/72/955563972.db2.gz JIZFJWNTYRRAMM-CIUDSAMLSA-N -1 0 317.342 -0.585 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001593863653 955565362 /nfs/dbraw/zinc/56/53/62/955565362.db2.gz NGKNFIKWHDMVSG-SMWKGLLFSA-N -1 0 300.311 -0.720 20 0 DBADRM C[C@@H](CN1CCOCC1)N(C)C(=O)c1cnc(C(=O)[O-])cn1 ZINC001589038437 955567926 /nfs/dbraw/zinc/56/79/26/955567926.db2.gz BFHZLRUBYAUJJF-JTQLQIEISA-N -1 0 308.338 -0.033 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC001593864964 955570876 /nfs/dbraw/zinc/57/08/76/955570876.db2.gz CNGWJDRHIJEEAF-YIZRAAEISA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC001593864963 955571092 /nfs/dbraw/zinc/57/10/92/955571092.db2.gz CNGWJDRHIJEEAF-HRDYMLBCSA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001593865591 955574360 /nfs/dbraw/zinc/57/43/60/955574360.db2.gz PQTMMHOGZXHULY-DTORHVGOSA-N -1 0 308.290 -0.386 20 0 DBADRM COC(=O)[C@]12CCC[C@H]1CN(C(=O)c1cn(CC(=O)[O-])nn1)C2 ZINC001593865831 955575999 /nfs/dbraw/zinc/57/59/99/955575999.db2.gz RMOXOUKUYPFUOB-XPTSAGLGSA-N -1 0 322.321 -0.222 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001593865861 955576443 /nfs/dbraw/zinc/57/64/43/955576443.db2.gz UBZZWTIZDVNENM-AXTSPUMRSA-N -1 0 312.322 -0.576 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC001589039611 955582540 /nfs/dbraw/zinc/58/25/40/955582540.db2.gz PCSYZDWCEWBCFV-MRVPVSSYSA-N -1 0 322.383 -0.895 20 0 DBADRM N#Cc1ccsc1NC(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000387210126 972111343 /nfs/dbraw/zinc/11/13/43/972111343.db2.gz FWRPVPCRICKEJV-SECBINFHSA-N -1 0 322.346 -0.167 20 0 DBADRM C[C@](CNC(=O)C[C@@H]1NC(=O)NC1=O)(C(=O)[O-])c1ccccc1 ZINC001589046193 955628802 /nfs/dbraw/zinc/62/88/02/955628802.db2.gz WGDXFTYUXNLTQC-ZUZCIYMTSA-N -1 0 319.317 -0.257 20 0 DBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)c3ncnn3C)C2)cn1 ZINC001594540826 955642304 /nfs/dbraw/zinc/64/23/04/955642304.db2.gz UTMWKWCHSXQWEN-UWVGGRQHSA-N -1 0 318.337 -0.121 20 0 DBADRM Cn1cc(CCCN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cn1 ZINC001594541689 955657714 /nfs/dbraw/zinc/65/77/14/955657714.db2.gz IUOBYNIIZSNXPN-LLVKDONJSA-N -1 0 301.368 -0.464 20 0 DBADRM Cn1cc(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)cn1 ZINC001594542798 955665283 /nfs/dbraw/zinc/66/52/83/955665283.db2.gz IRLPGCZGWRBUEP-UHFFFAOYSA-N -1 0 315.351 -0.684 20 0 DBADRM COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)[C@@H](OC)C(=O)[O-] ZINC001593876016 955670515 /nfs/dbraw/zinc/67/05/15/955670515.db2.gz OOOAVIAOIMHUGT-GMSGAONNSA-N -1 0 311.294 -0.280 20 0 DBADRM COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)[C@@H](OC)C(=O)[O-] ZINC001593876017 955670556 /nfs/dbraw/zinc/67/05/56/955670556.db2.gz OOOAVIAOIMHUGT-OIBJUYFYSA-N -1 0 311.294 -0.280 20 0 DBADRM Cn1cc(CNC(=O)[C@H](C(=O)[O-])C2CCCC2)c(=O)[nH]c1=O ZINC001594543159 955670685 /nfs/dbraw/zinc/67/06/85/955670685.db2.gz SGZZMGXAFNZHDG-SNVBAGLBSA-N -1 0 309.322 -0.007 20 0 DBADRM COC(=O)c1ccc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)o1 ZINC001593876431 955674298 /nfs/dbraw/zinc/67/42/98/955674298.db2.gz GFZLAMWVFFAKAC-ZETCQYMHSA-N -1 0 311.246 -0.092 20 0 DBADRM Cn1cc(CNC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)cn1 ZINC001594543309 955675036 /nfs/dbraw/zinc/67/50/36/955675036.db2.gz YIQSCWIXNDLRPM-SNVBAGLBSA-N -1 0 308.338 -0.250 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@]3(C(=O)[O-])CCCO3)C2=O)cn1 ZINC001594545891 955684090 /nfs/dbraw/zinc/68/40/90/955684090.db2.gz JIANBUPNUFKYQC-HZMBPMFUSA-N -1 0 322.321 -0.725 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)[C@@]3(C(=O)[O-])CCCO3)C2=O)cn1 ZINC001594545893 955684411 /nfs/dbraw/zinc/68/44/11/955684411.db2.gz JIANBUPNUFKYQC-IINYFYTJSA-N -1 0 322.321 -0.725 20 0 DBADRM Cn1cc(Cl)c(C(=O)NCCOCCOCC(=O)[O-])n1 ZINC001594546370 955685102 /nfs/dbraw/zinc/68/51/02/955685102.db2.gz NYPICOYLHQCYMH-UHFFFAOYSA-N -1 0 305.718 -0.079 20 0 DBADRM C[C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)[O-] ZINC001589055840 955692238 /nfs/dbraw/zinc/69/22/38/955692238.db2.gz CITZAMOIZWTVDE-IVZWLZJFSA-N -1 0 321.399 -0.133 20 0 DBADRM COC(=O)c1ccc(CC(=O)N2CCOC[C@@H]2C(=O)[O-])cn1 ZINC001593877643 955692529 /nfs/dbraw/zinc/69/25/29/955692529.db2.gz XUNHGWMHARRGFD-LLVKDONJSA-N -1 0 308.290 -0.277 20 0 DBADRM COC(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC001593880630 955702746 /nfs/dbraw/zinc/70/27/46/955702746.db2.gz JIFPRVAKUDJCJT-CQSZACIVSA-N -1 0 324.289 -0.637 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)nn1 ZINC001594548911 955704322 /nfs/dbraw/zinc/70/43/22/955704322.db2.gz VCZMXBHEJGPHCT-SECBINFHSA-N -1 0 309.326 -0.143 20 0 DBADRM Cn1cc(N2CCN([C@@H]3CCN(CC(=O)[O-])C3=O)CC2)cn1 ZINC001594549011 955704958 /nfs/dbraw/zinc/70/49/58/955704958.db2.gz YRJBBVIXHHZUBZ-GFCCVEGCSA-N -1 0 307.354 -0.772 20 0 DBADRM Cn1cc(O)c(=O)cc1CNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001594549114 955706349 /nfs/dbraw/zinc/70/63/49/955706349.db2.gz AIIZNTFNMIHBCY-UHFFFAOYSA-N -1 0 324.333 -0.021 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC001594549416 955710683 /nfs/dbraw/zinc/71/06/83/955710683.db2.gz JQNZUPJUZCXMBU-JTQLQIEISA-N -1 0 308.338 -0.598 20 0 DBADRM Cn1ccc(CCNC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)n1 ZINC001594549451 955711136 /nfs/dbraw/zinc/71/11/36/955711136.db2.gz LNKYMAPLJOLHEF-UHFFFAOYSA-N -1 0 322.365 -0.162 20 0 DBADRM COC(=O)c1cc(NC(=O)NC[C@](C)(O)C(=O)[O-])n(C)n1 ZINC001593881630 955714552 /nfs/dbraw/zinc/71/45/52/955714552.db2.gz JIYKLZWHSYEXKO-NSHDSACASA-N -1 0 300.271 -0.836 20 0 DBADRM Cn1ccc(NCCNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001594550444 955722374 /nfs/dbraw/zinc/72/23/74/955722374.db2.gz JOARDXKQPIOMGS-JTQLQIEISA-N -1 0 323.353 -0.729 20 0 DBADRM Cn1ccc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)cc1=O ZINC001594550628 955723994 /nfs/dbraw/zinc/72/39/94/955723994.db2.gz OVWNSRYISPSRQL-SNVBAGLBSA-N -1 0 307.306 -0.353 20 0 DBADRM Cn1ccn2c(CNC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)nnc2c1=O ZINC001594551665 955731659 /nfs/dbraw/zinc/73/16/59/955731659.db2.gz QGKGPLGQOOKTBM-DTWKUNHWSA-N -1 0 319.321 -0.455 20 0 DBADRM C[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1F)C(=O)[O-] ZINC001589064647 955744962 /nfs/dbraw/zinc/74/49/62/955744962.db2.gz UGOCUPRVVFCJKX-LURJTMIESA-N -1 0 304.299 -0.076 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001594556347 955764038 /nfs/dbraw/zinc/76/40/38/955764038.db2.gz AFXFJRJHMAKYDN-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM COC(=O)c1cn(C2CN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C2)nn1 ZINC001593890908 955779094 /nfs/dbraw/zinc/77/90/94/955779094.db2.gz PIXLIAIRXZTBDC-DTWKUNHWSA-N -1 0 322.321 -0.051 20 0 DBADRM COC(=O)c1cn(C2CN(C(=O)[C@]3(C(=O)[O-])C[C@H]3C)C2)nn1 ZINC001593891075 955781773 /nfs/dbraw/zinc/78/17/73/955781773.db2.gz QYVJVWVGNURQDE-UHLUBPPHSA-N -1 0 308.294 -0.441 20 0 DBADRM Cn1cncc1CCCN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594558400 955785206 /nfs/dbraw/zinc/78/52/06/955785206.db2.gz FGVASJIJFDFABD-NSHDSACASA-N -1 0 301.368 -0.464 20 0 DBADRM COC(=O)c1cn(C)nc1NC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001593891960 955791851 /nfs/dbraw/zinc/79/18/51/955791851.db2.gz RILBCBVXGOPUHZ-LBPRGKRZSA-N -1 0 312.282 -0.428 20 0 DBADRM C[C@@H](CO)CCCNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001589073634 955795906 /nfs/dbraw/zinc/79/59/06/955795906.db2.gz SDNFZUHTUKLRBY-GHMZBOCLSA-N -1 0 300.355 -0.166 20 0 DBADRM Cn1cnnc1[C@H]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001594559772 955797673 /nfs/dbraw/zinc/79/76/73/955797673.db2.gz PCPNIRXWDKRPML-QMMMGPOBSA-N -1 0 302.294 -0.067 20 0 DBADRM Cn1cnnc1SCC(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001594560019 955798048 /nfs/dbraw/zinc/79/80/48/955798048.db2.gz UIADIGLFVYUNDP-SECBINFHSA-N -1 0 310.339 -0.417 20 0 DBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N(C)CCC(=O)[O-] ZINC001589074615 955799749 /nfs/dbraw/zinc/79/97/49/955799749.db2.gz CPZZUSJXNVXPSA-NXEZZACHSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)c1cncc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC001593893530 955801019 /nfs/dbraw/zinc/80/10/19/955801019.db2.gz RUFCGBGMBIMANX-SNVBAGLBSA-N -1 0 321.289 -0.118 20 0 DBADRM COC(=O)c1cnoc1CN(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC001593893768 955805553 /nfs/dbraw/zinc/80/55/53/955805553.db2.gz DMOLZRAGAGUQAI-QMMMGPOBSA-N -1 0 313.310 -0.128 20 0 DBADRM C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC(=O)[O-])cc1 ZINC001589076183 955813806 /nfs/dbraw/zinc/81/38/06/955813806.db2.gz ZTAKGTKSWGVFQO-QMMMGPOBSA-N -1 0 317.319 -0.413 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC001594563539 955814768 /nfs/dbraw/zinc/81/47/68/955814768.db2.gz BHAMRWJTIMSHRS-UHFFFAOYSA-N -1 0 315.351 -0.233 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001589076249 955814877 /nfs/dbraw/zinc/81/48/77/955814877.db2.gz IGKGZDRSVSRBCM-AUTRQRHGSA-N -1 0 305.352 -0.773 20 0 DBADRM COC(=O)c1n[nH]c2c1CN([C@@H]1CCN(CC(=O)[O-])C1=O)CC2 ZINC001593894865 955819003 /nfs/dbraw/zinc/81/90/03/955819003.db2.gz JEJFFDNIASWPFW-SNVBAGLBSA-N -1 0 322.321 -0.760 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001594564187 955822328 /nfs/dbraw/zinc/82/23/28/955822328.db2.gz NWUKBLVJPDWXQE-VIFPVBQESA-N -1 0 321.337 -0.206 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593897157 955830097 /nfs/dbraw/zinc/83/00/97/955830097.db2.gz CIQMMLZKRXGHKC-ZKCHVHJHSA-N -1 0 312.278 -0.043 20 0 DBADRM C[C@H](C[S@@](C)=O)N(C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589077229 955832293 /nfs/dbraw/zinc/83/22/93/955832293.db2.gz RPGWHSFSBNXZEA-QONUSYMYSA-N -1 0 318.395 -0.465 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC001594565081 955836367 /nfs/dbraw/zinc/83/63/67/955836367.db2.gz SGDFNIRDPVNTHJ-VIFPVBQESA-N -1 0 306.322 -0.141 20 0 DBADRM CC1(C)CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@H]1O ZINC000387715356 972134385 /nfs/dbraw/zinc/13/43/85/972134385.db2.gz PHDUSBCVESTZKS-SNVBAGLBSA-N -1 0 306.384 -0.270 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC([C@@H](O)c2ccnn2C)CC1 ZINC001593901914 955877953 /nfs/dbraw/zinc/87/79/53/955877953.db2.gz HXPGABCFPRFHCR-NEPJUHHUSA-N -1 0 311.338 -0.208 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N(CCO)CCNC(=O)OC(C)(C)C ZINC001593902220 955882345 /nfs/dbraw/zinc/88/23/45/955882345.db2.gz NDUBGHPETMTYTC-SECBINFHSA-N -1 0 320.342 -0.568 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N(CCO)CCNC(=O)OC(C)(C)C ZINC001593902221 955882559 /nfs/dbraw/zinc/88/25/59/955882559.db2.gz NDUBGHPETMTYTC-VIFPVBQESA-N -1 0 320.342 -0.568 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)[C@H](C(=O)[O-])c1cccnc1 ZINC001598605264 1017331535 /nfs/dbraw/zinc/33/15/35/1017331535.db2.gz XTIWJXKKJCULRM-AWEZNQCLSA-N -1 0 306.366 -0.087 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC001593904212 955892021 /nfs/dbraw/zinc/89/20/21/955892021.db2.gz CLVWIOGELWVFQH-UWVGGRQHSA-N -1 0 305.352 -0.488 20 0 DBADRM C[C@@H](NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1)c1ncnn1C ZINC001589086811 955908593 /nfs/dbraw/zinc/90/85/93/955908593.db2.gz VDQNBYUDGGYMBG-XNWIYYODSA-N -1 0 323.353 -0.248 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C ZINC001593905824 955911723 /nfs/dbraw/zinc/91/17/23/955911723.db2.gz KPRGKSNUFYDHGR-SFYZADRCSA-N -1 0 304.368 -0.098 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 ZINC001593906601 955924288 /nfs/dbraw/zinc/92/42/88/955924288.db2.gz CERVECRDRRSYTC-VHSXEESVSA-N -1 0 317.338 -0.382 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 ZINC001593906600 955924863 /nfs/dbraw/zinc/92/48/63/955924863.db2.gz CERVECRDRRSYTC-UWVGGRQHSA-N -1 0 317.338 -0.382 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001593906946 955931693 /nfs/dbraw/zinc/93/16/93/955931693.db2.gz MLJFYORTBYDTSJ-SNVBAGLBSA-N -1 0 310.310 -0.770 20 0 DBADRM Cn1nc(CNCCS(=O)(=O)CC(=O)[O-])cc1C1CC1 ZINC001594577489 955932539 /nfs/dbraw/zinc/93/25/39/955932539.db2.gz XKNWAGDWEKSQEK-UHFFFAOYSA-N -1 0 301.368 -0.114 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[nH]2)C1 ZINC001593907344 955938229 /nfs/dbraw/zinc/93/82/29/955938229.db2.gz WBAUUUGBOXDWDQ-KOLCDFICSA-N -1 0 324.337 -0.325 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001593907388 955938362 /nfs/dbraw/zinc/93/83/62/955938362.db2.gz XMYOJYGUNKKRDQ-WDEREUQCSA-N -1 0 313.354 -0.118 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[nH]2)C1 ZINC001593907345 955938718 /nfs/dbraw/zinc/93/87/18/955938718.db2.gz WBAUUUGBOXDWDQ-MWLCHTKSSA-N -1 0 324.337 -0.325 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001593907387 955938910 /nfs/dbraw/zinc/93/89/10/955938910.db2.gz XMYOJYGUNKKRDQ-QWRGUYRKSA-N -1 0 313.354 -0.118 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC001593907713 955944142 /nfs/dbraw/zinc/94/41/42/955944142.db2.gz NAQCMGIFZIXRTJ-OUAUKWLOSA-N -1 0 301.339 -0.230 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1nncn1C ZINC001589091623 955946604 /nfs/dbraw/zinc/94/66/04/955946604.db2.gz FDIFNOMWPVHKRH-IUCAKERBSA-N -1 0 309.326 -0.685 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC001593908073 955948285 /nfs/dbraw/zinc/94/82/85/955948285.db2.gz RJPUVWPFRUIWTK-GZMMTYOYSA-N -1 0 313.331 -0.227 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCc1cn(C(C)(C)C)c(=O)[nH]c1=O ZINC001593908686 955953818 /nfs/dbraw/zinc/95/38/18/955953818.db2.gz KMZKGTRVTLUKAV-QMMMGPOBSA-N -1 0 313.310 -0.580 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)Nc1cccc(CN2CCOCC2)n1 ZINC001593912576 955981558 /nfs/dbraw/zinc/98/15/58/955981558.db2.gz ATOPXMMZXORLPQ-GFCCVEGCSA-N -1 0 309.322 -0.048 20 0 DBADRM Cn1ncc(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)n1 ZINC001594582490 955983144 /nfs/dbraw/zinc/98/31/44/955983144.db2.gz QEOPWTDFLLFMHW-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cn1ncc(C2CC2)c1CNCCS(=O)(=O)CC(=O)[O-] ZINC001594582482 955983531 /nfs/dbraw/zinc/98/35/31/955983531.db2.gz PQNJGBQSLXXAEN-UHFFFAOYSA-N -1 0 301.368 -0.114 20 0 DBADRM Cn1ncc2c1nc(CN1C[C@H]3COC[C@@]3(C(=O)[O-])C1)[nH]c2=O ZINC001594585873 955997201 /nfs/dbraw/zinc/99/72/01/955997201.db2.gz HZOZBBILDZHAGE-RTHLEPHNSA-N -1 0 319.321 -0.398 20 0 DBADRM Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001594586210 956000264 /nfs/dbraw/zinc/00/02/64/956000264.db2.gz NHVJNJDYCGBVHV-MWLCHTKSSA-N -1 0 320.349 -0.153 20 0 DBADRM Cn1ncc2c1nc(S[C@@H]1CCN(CC(=O)[O-])C1=O)[nH]c2=O ZINC001594586534 956003154 /nfs/dbraw/zinc/00/31/54/956003154.db2.gz PUMYERMDGMJEHL-SSDOTTSWSA-N -1 0 323.334 -0.154 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)Cc1nc(C2CC2)nn1C)C(=O)[O-] ZINC001594588164 956018266 /nfs/dbraw/zinc/01/82/66/956018266.db2.gz COIGQJLQKQYKBZ-GFCCVEGCSA-N -1 0 318.337 -0.089 20 0 DBADRM Cn1nccc1C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001594588463 956021039 /nfs/dbraw/zinc/02/10/39/956021039.db2.gz VKKMZDHKABETHN-JTQLQIEISA-N -1 0 320.349 -0.042 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CNC(=O)N1CCCC1)C(=O)[O-] ZINC001594588511 956022359 /nfs/dbraw/zinc/02/23/59/956022359.db2.gz HQMOMSMDCFMNFB-NSHDSACASA-N -1 0 309.326 -0.533 20 0 DBADRM CCCNC(=O)CN(C)C(=O)CN1CCOC[C@@H]1CC(=O)[O-] ZINC000388007466 972151627 /nfs/dbraw/zinc/15/16/27/972151627.db2.gz GIVDRGGTNIKBJQ-NSHDSACASA-N -1 0 315.370 -0.854 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)CCC(=O)N1CCOCC1)C(=O)[O-] ZINC001594589467 956038003 /nfs/dbraw/zinc/03/80/03/956038003.db2.gz VWTZGRIJFPTMFY-CYBMUJFWSA-N -1 0 324.337 -0.699 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N(C)Cc1ncnn1CC(F)F ZINC001593918918 956055575 /nfs/dbraw/zinc/05/55/75/956055575.db2.gz OROIPDQGPLAGBH-LLVKDONJSA-N -1 0 306.269 -0.009 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N(C)Cc1ncnn1CC(F)F ZINC001593918933 956056004 /nfs/dbraw/zinc/05/60/04/956056004.db2.gz OROIPDQGPLAGBH-NSHDSACASA-N -1 0 306.269 -0.009 20 0 DBADRM Cn1nccc1[C@H](NC(=O)c1cn(CC2CC2)nn1)C(=O)[O-] ZINC001594590735 956058175 /nfs/dbraw/zinc/05/81/75/956058175.db2.gz YJCINFWWUBGSGH-NSHDSACASA-N -1 0 304.310 -0.023 20 0 DBADRM Cn1nccc1[C@@H](NS(=O)(=O)CCn1cccn1)C(=O)[O-] ZINC001594592862 956063936 /nfs/dbraw/zinc/06/39/36/956063936.db2.gz LOUANKSQJVFUPM-SNVBAGLBSA-N -1 0 313.339 -0.638 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC(CS(C)(=O)=O)CC1 ZINC001593919795 956064284 /nfs/dbraw/zinc/06/42/84/956064284.db2.gz VFJRACHCXPUYTO-LBPRGKRZSA-N -1 0 307.368 -0.241 20 0 DBADRM Cn1nccc1[C@H](NS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2)C(=O)[O-] ZINC001594592894 956064736 /nfs/dbraw/zinc/06/47/36/956064736.db2.gz MBOUOOVZLSRKGS-VFRUTBLMSA-N -1 0 315.351 -0.215 20 0 DBADRM Cn1nccc1C1(O)CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001594593727 956069989 /nfs/dbraw/zinc/06/99/89/956069989.db2.gz VWFUHOACJNJWIF-SNVBAGLBSA-N -1 0 322.321 -0.540 20 0 DBADRM C[C@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)C1(S(C)(=O)=O)CC1 ZINC001589114851 956086690 /nfs/dbraw/zinc/08/66/90/956086690.db2.gz IVSCPJJXYKOVNB-LURJTMIESA-N -1 0 301.324 -0.197 20 0 DBADRM Cn1nnc2cc(C(=O)Nc3ncn(CC(=O)[O-])n3)ccc21 ZINC001594596244 956091990 /nfs/dbraw/zinc/09/19/90/956091990.db2.gz GOWFYKVCWFOWEA-UHFFFAOYSA-N -1 0 301.266 -0.103 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(CC(F)(F)CO)CC1 ZINC001593922369 956093711 /nfs/dbraw/zinc/09/37/11/956093711.db2.gz MBBHBUPOLKBBEW-LLVKDONJSA-N -1 0 310.297 -0.752 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC001593922412 956094524 /nfs/dbraw/zinc/09/45/24/956094524.db2.gz NTAACAVAJJLOQC-WDMOLILDSA-N -1 0 300.355 -0.466 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594596420 956095891 /nfs/dbraw/zinc/09/58/91/956095891.db2.gz HOVHVUHMGSMYRN-RTHLEPHNSA-N -1 0 317.305 -0.464 20 0 DBADRM CC1(C)CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@H]1O ZINC000388043527 972153512 /nfs/dbraw/zinc/15/35/12/972153512.db2.gz MWDYHWOGCXKDFT-SECBINFHSA-N -1 0 303.340 -0.641 20 0 DBADRM Cn1nccc1CCNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001594596938 956101064 /nfs/dbraw/zinc/10/10/64/956101064.db2.gz NGFIBDVLCQNAIQ-LLVKDONJSA-N -1 0 322.365 -0.208 20 0 DBADRM Cn1nnc2c1C[C@@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)CC2 ZINC001594597455 956106287 /nfs/dbraw/zinc/10/62/87/956106287.db2.gz XLJGVGDHCPVDCF-KWQFWETISA-N -1 0 309.326 -0.833 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCN1CCC2(C1)OCCO2 ZINC001593925732 956121953 /nfs/dbraw/zinc/12/19/53/956121953.db2.gz DULMFSQEDLLUNX-LBPRGKRZSA-N -1 0 302.327 -0.959 20 0 DBADRM Cn1nccc1C[C@@H]1CCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001594599471 956122119 /nfs/dbraw/zinc/12/21/19/956122119.db2.gz YBCRGYHYGMRCLC-LBPRGKRZSA-N -1 0 315.395 -0.074 20 0 DBADRM CCNC(=O)CN(CC)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000388127931 972156163 /nfs/dbraw/zinc/15/61/63/972156163.db2.gz YFFZNVWLJITFRW-UHFFFAOYSA-N -1 0 312.330 -0.856 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)NCC1(S(C)(=O)=O)CCCC1 ZINC001593928308 956152207 /nfs/dbraw/zinc/15/22/07/956152207.db2.gz WWFMFWZMYFNMOW-NSHDSACASA-N -1 0 307.368 -0.050 20 0 DBADRM CC(=O)N1CCC[C@H](C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC000388194099 972159166 /nfs/dbraw/zinc/15/91/66/972159166.db2.gz BOILPPIZDODMAM-JTQLQIEISA-N -1 0 309.326 -0.649 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CCSC[C@H]1CO ZINC000388206127 972160519 /nfs/dbraw/zinc/16/05/19/972160519.db2.gz PGSVCERJYFWDFW-ZCFIWIBFSA-N -1 0 324.405 -0.060 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1cccc(NS(N)(=O)=O)c1 ZINC001593931085 956180922 /nfs/dbraw/zinc/18/09/22/956180922.db2.gz JJHPCSSGFFXXIX-LLVKDONJSA-N -1 0 317.323 -0.270 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1cccc(C(=O)NC(N)=O)c1 ZINC001593932435 956197320 /nfs/dbraw/zinc/19/73/20/956197320.db2.gz YWCINERQQQXUBG-CYBMUJFWSA-N -1 0 309.278 -0.077 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N(C)CCC(=O)[O-])[C@@H]1CCOC1 ZINC001593938009 956241208 /nfs/dbraw/zinc/24/12/08/956241208.db2.gz AKSJEMZILULFFK-ZJUUUORDSA-N -1 0 302.327 -0.913 20 0 DBADRM C[C@](O)(CNC(=O)C(=O)Nc1nc(C2CC2)cs1)C(=O)[O-] ZINC001589138261 956244760 /nfs/dbraw/zinc/24/47/60/956244760.db2.gz LTVFSDBXYILLGE-LBPRGKRZSA-N -1 0 313.335 -0.089 20 0 DBADRM CO[C@H](CC(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001593938551 956249652 /nfs/dbraw/zinc/24/96/52/956249652.db2.gz PXLYEWPZAYWPNS-NXEZZACHSA-N -1 0 307.368 -0.242 20 0 DBADRM C[C@](O)(CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-] ZINC001589138872 956253096 /nfs/dbraw/zinc/25/30/96/956253096.db2.gz JWAGHIOLCDVAJC-XPTSAGLGSA-N -1 0 310.306 -0.420 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1c(F)cc(F)cc1F)C(=O)[O-] ZINC001589138844 956253436 /nfs/dbraw/zinc/25/34/36/956253436.db2.gz VGJIWRHNPYSDQW-GFCCVEGCSA-N -1 0 320.223 -0.006 20 0 DBADRM C[C@@](O)(CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)[O-] ZINC001589138868 956253883 /nfs/dbraw/zinc/25/38/83/956253883.db2.gz JWAGHIOLCDVAJC-LKFCYVNXSA-N -1 0 310.306 -0.420 20 0 DBADRM CO[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)CC(C)C ZINC001593938919 956256339 /nfs/dbraw/zinc/25/63/39/956256339.db2.gz OIWUVDIEQNMXOS-MNOVXSKESA-N -1 0 316.354 -0.524 20 0 DBADRM C[C@@](O)(CNC(=O)Cc1ccn(CC(F)(F)F)n1)C(=O)[O-] ZINC001589140145 956263115 /nfs/dbraw/zinc/26/31/15/956263115.db2.gz BMNSJTJPDVLDKK-SNVBAGLBSA-N -1 0 309.244 -0.060 20 0 DBADRM C[C@@](O)(CNC(=O)c1cc(S(N)(=O)=O)ccc1F)C(=O)[O-] ZINC001589144497 956277961 /nfs/dbraw/zinc/27/79/61/956277961.db2.gz QHLQEMIHCKOCQA-LLVKDONJSA-N -1 0 320.298 -0.962 20 0 DBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC001589146226 956288399 /nfs/dbraw/zinc/28/83/99/956288399.db2.gz FGMUMQHHDMCDTD-UZEXVOJHSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H](O)C(C)(C)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589146737 956296803 /nfs/dbraw/zinc/29/68/03/956296803.db2.gz MLWICNDHRMWLSB-UWVGGRQHSA-N -1 0 300.355 -0.167 20 0 DBADRM CO[C@@]1(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001593943357 956298669 /nfs/dbraw/zinc/29/86/69/956298669.db2.gz JSUJCJYNUMIZEI-GWCFXTLKSA-N -1 0 319.379 -0.097 20 0 DBADRM C[C@H](O)C(=O)N1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC001589146866 956300307 /nfs/dbraw/zinc/30/03/07/956300307.db2.gz NUAGPARUBYFANG-JQWIXIFHSA-N -1 0 312.366 -0.071 20 0 DBADRM CO[C@@]1(CNC(=O)N(C)C[C@@H](C)C(=O)[O-])CCS(=O)(=O)C1 ZINC001593943566 956302209 /nfs/dbraw/zinc/30/22/09/956302209.db2.gz LBZPLYHONKFDIT-BXKDBHETSA-N -1 0 322.383 -0.448 20 0 DBADRM COC1([C@H](C)NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCOCC1 ZINC001593943546 956302297 /nfs/dbraw/zinc/30/22/97/956302297.db2.gz MZBYKIZYSHUMBD-WCBMZHEXSA-N -1 0 300.311 -0.084 20 0 DBADRM CO[C@]1(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001593943766 956305051 /nfs/dbraw/zinc/30/50/51/956305051.db2.gz RIGPICIYIOZONV-OUJBWJOFSA-N -1 0 319.379 -0.241 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CCOC1 ZINC001593943870 956307065 /nfs/dbraw/zinc/30/70/65/956307065.db2.gz SOWDNEGIMFEHFR-YGRLFVJLSA-N -1 0 316.354 -0.619 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N(C)CCC(=O)[O-] ZINC001589148149 956318603 /nfs/dbraw/zinc/31/86/03/956318603.db2.gz YXUNKQJWFQSCHK-SKDRFNHKSA-N -1 0 300.355 -0.025 20 0 DBADRM COC(OC)[C@@H](C)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593944690 956318933 /nfs/dbraw/zinc/31/89/33/956318933.db2.gz OTQLLIDSSGXZHQ-MRVPVSSYSA-N -1 0 323.367 -0.610 20 0 DBADRM C[C@@](O)(CNS(=O)(=O)c1ccc2c(c1)COC2)C(=O)[O-] ZINC001589148646 956322928 /nfs/dbraw/zinc/32/29/28/956322928.db2.gz WGHWSLMOILIURW-GFCCVEGCSA-N -1 0 301.320 -0.169 20 0 DBADRM CO[C@]1(COC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCOC1 ZINC001593945682 956326458 /nfs/dbraw/zinc/32/64/58/956326458.db2.gz FKJNDAFSKKPTEJ-IINYFYTJSA-N -1 0 315.322 -0.342 20 0 DBADRM C[C@H](O)CN(C)C(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001589152203 956331194 /nfs/dbraw/zinc/33/11/94/956331194.db2.gz KXNKGPJXJGAYPC-QWRGUYRKSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001589152255 956333738 /nfs/dbraw/zinc/33/37/38/956333738.db2.gz DQTOGFCLKBPBNZ-DCAQKATOSA-N -1 0 314.338 -0.940 20 0 DBADRM C[C@H](O)CN(C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589152680 956339330 /nfs/dbraw/zinc/33/93/30/956339330.db2.gz RXKGWLPFHBUYEB-VHSXEESVSA-N -1 0 301.343 -0.526 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCO1 ZINC001589152721 956340667 /nfs/dbraw/zinc/34/06/67/956340667.db2.gz KSTRXWPJSLKULE-GHMZBOCLSA-N -1 0 316.354 -0.341 20 0 DBADRM C[C@@H](O)[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCO1 ZINC001589152725 956341375 /nfs/dbraw/zinc/34/13/75/956341375.db2.gz KSTRXWPJSLKULE-MNOVXSKESA-N -1 0 316.354 -0.341 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CCO1 ZINC001589153351 956347277 /nfs/dbraw/zinc/34/72/77/956347277.db2.gz QVBHRCHUSSDXSN-BXKDBHETSA-N -1 0 322.317 -0.069 20 0 DBADRM COC1(OC)CCN(C(=O)c2ccc(C(=O)[O-])nc2)C[C@@H]1O ZINC001593948319 956351730 /nfs/dbraw/zinc/35/17/30/956351730.db2.gz ZACAHEUBAHJQNE-NSHDSACASA-N -1 0 310.306 -0.024 20 0 DBADRM CO[C@H]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001593949282 956361241 /nfs/dbraw/zinc/36/12/41/956361241.db2.gz NJMGYYKECOFNPF-ZJUUUORDSA-N -1 0 319.379 -0.050 20 0 DBADRM CO[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C[C@@H]1C ZINC001593949751 956366738 /nfs/dbraw/zinc/36/67/38/956366738.db2.gz LXRTWAKHTHTIKQ-AXFHLTTASA-N -1 0 314.338 -0.818 20 0 DBADRM NC(=O)[C@H](F)C1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001594636163 956374013 /nfs/dbraw/zinc/37/40/13/956374013.db2.gz CHTOJLFRZXOXCN-NOZJJQNGSA-N -1 0 302.302 -0.318 20 0 DBADRM NC(=O)[C@@H](F)C1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001594636217 956374773 /nfs/dbraw/zinc/37/47/73/956374773.db2.gz CHTOJLFRZXOXCN-ZANVPECISA-N -1 0 302.302 -0.318 20 0 DBADRM C[C@H](OC(=O)CCCC(=O)[O-])C(=O)N1CCC(C(N)=O)CC1 ZINC001589157158 956378256 /nfs/dbraw/zinc/37/82/56/956378256.db2.gz YBFVMLDXWFLSPJ-VIFPVBQESA-N -1 0 314.338 -0.103 20 0 DBADRM C[C@H](OC(=O)[C@@H](C)C(=O)[O-])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001589158181 956380362 /nfs/dbraw/zinc/38/03/62/956380362.db2.gz CIULZDXTXIQNQO-XHNCKOQMSA-N -1 0 300.311 -0.637 20 0 DBADRM C[C@H](OC(=O)C(C)(C)C(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001589158193 956381005 /nfs/dbraw/zinc/38/10/05/956381005.db2.gz CRFROSHUNOXELZ-YUMQZZPRSA-N -1 0 321.351 -0.668 20 0 DBADRM CO[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@](C)(CO)C1 ZINC001593950988 956384047 /nfs/dbraw/zinc/38/40/47/956384047.db2.gz GFPHPYSOAYZWJJ-BHDSKKPTSA-N -1 0 316.354 -0.836 20 0 DBADRM NC(=O)[C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC001594637816 956384567 /nfs/dbraw/zinc/38/45/67/956384567.db2.gz AYGISMVKWVEIPT-VHSXEESVSA-N -1 0 311.338 -0.967 20 0 DBADRM NC(=O)[C@H]1CC(C(=O)OCC(=O)[O-])=NN1c1ccc(F)cc1 ZINC001594637942 956386807 /nfs/dbraw/zinc/38/68/07/956386807.db2.gz FZLKHQCHMVXXEE-SNVBAGLBSA-N -1 0 309.253 -0.127 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)Nc2ccnc(C(=O)[O-])c2)O1 ZINC001594638121 956389091 /nfs/dbraw/zinc/38/90/91/956389091.db2.gz KQWGAHHJYJZOHZ-PSASIEDQSA-N -1 0 308.294 -0.066 20 0 DBADRM CO[C@H]1COCC[C@@H]1N(C)C(=O)C(=O)NCCCCC(=O)[O-] ZINC001593951645 956394035 /nfs/dbraw/zinc/39/40/35/956394035.db2.gz QGNWGAGDBMAGAE-QWRGUYRKSA-N -1 0 316.354 -0.380 20 0 DBADRM COC[C@H](C)OC[C@@H](O)CN1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000388660617 972185500 /nfs/dbraw/zinc/18/55/00/972185500.db2.gz GCTYGDKCJHQEMG-ONGXEEELSA-N -1 0 314.342 -0.755 20 0 DBADRM NC(=O)C1(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCCC1 ZINC001594639031 956399466 /nfs/dbraw/zinc/39/94/66/956399466.db2.gz SQUNXTDLJMOWAT-SECBINFHSA-N -1 0 311.338 -0.776 20 0 DBADRM CO[C@@H]1COCC[C@@H]1Cn1nnnc1N(C)C[C@@H](C)C(=O)[O-] ZINC001593952077 956401249 /nfs/dbraw/zinc/40/12/49/956401249.db2.gz ZKRQNUWQSBBVPX-GMTAPVOTSA-N -1 0 313.358 -0.119 20 0 DBADRM NC(=O)C[C@@H]1COCCN1C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001594639208 956402180 /nfs/dbraw/zinc/40/21/80/956402180.db2.gz ROECVQKNHMAANX-GMTAPVOTSA-N -1 0 314.338 -0.641 20 0 DBADRM NC(=O)CCNC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001594639158 956402267 /nfs/dbraw/zinc/40/22/67/956402267.db2.gz HKRXGNYBKQTPTG-UHFFFAOYSA-N -1 0 307.306 -0.366 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CC1 ZINC001594639489 956404659 /nfs/dbraw/zinc/40/46/59/956404659.db2.gz WVDSBTLQJLDXSD-VHSXEESVSA-N -1 0 314.338 -0.905 20 0 DBADRM NC(=O)CC[C@@H]1CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC001594639523 956405597 /nfs/dbraw/zinc/40/55/97/956405597.db2.gz MWXPCNKILVYRRH-JTQLQIEISA-N -1 0 306.384 -0.537 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001589162083 956421914 /nfs/dbraw/zinc/42/19/14/956421914.db2.gz KOMQBNZVVKMCIH-HBNTYKKESA-N -1 0 315.322 -0.201 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001593955073 956421859 /nfs/dbraw/zinc/42/18/59/956421859.db2.gz XQVWMEIOHJDTLR-QMTHXVAHSA-N -1 0 316.354 -0.665 20 0 DBADRM COC[C@@H](NC(=O)N1CCO[C@](COC)(C(=O)[O-])C1)C1CC1 ZINC001593956599 956434031 /nfs/dbraw/zinc/43/40/31/956434031.db2.gz FFXHTNNRPCOKBQ-BXUZGUMPSA-N -1 0 316.354 -0.077 20 0 DBADRM O=C([O-])C1(c2ccc(S(=O)(=O)N[C@H]3CNC(=O)C3)cc2)CC1 ZINC000388639758 972183883 /nfs/dbraw/zinc/18/38/83/972183883.db2.gz CCODJQQWBRUMKM-SNVBAGLBSA-N -1 0 324.358 -0.030 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)NC2(CC(=O)[O-])CCOCC2)C1 ZINC001594645564 956437709 /nfs/dbraw/zinc/43/77/09/956437709.db2.gz QWBWUMISHTVZLD-SNVBAGLBSA-N -1 0 313.354 -0.083 20 0 DBADRM NC(=O)N1CCCN(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CC1 ZINC001594645952 956438744 /nfs/dbraw/zinc/43/87/44/956438744.db2.gz YJCHQGICRVVWQT-WDEREUQCSA-N -1 0 313.354 -0.131 20 0 DBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC001594647723 956448034 /nfs/dbraw/zinc/44/80/34/956448034.db2.gz CZTAPBBIHVKXMW-GMTAPVOTSA-N -1 0 313.354 -0.227 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001594647993 956450312 /nfs/dbraw/zinc/45/03/12/956450312.db2.gz MRCGQWNIOJOSSX-ZJUUUORDSA-N -1 0 302.327 -0.878 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@@]2(C(=O)[O-])CCOC2)O1 ZINC001594648018 956450591 /nfs/dbraw/zinc/45/05/91/956450591.db2.gz OQLWSXZIXXPDIT-ZDMBXUJBSA-N -1 0 300.311 -0.841 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCOC[C@@H]2C(=O)[O-])O1 ZINC001594648398 956453403 /nfs/dbraw/zinc/45/34/03/956453403.db2.gz ZLFFZEYTWBOFJK-BBBLOLIVSA-N -1 0 300.311 -0.889 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)OC ZINC001593958171 956458378 /nfs/dbraw/zinc/45/83/78/956458378.db2.gz QLKKQAMGRFSXKC-ZANVPECISA-N -1 0 302.327 -0.913 20 0 DBADRM NC(=O)c1ccc(NC(=O)c2cn(CC(=O)[O-])nn2)cc1F ZINC001594649882 956464729 /nfs/dbraw/zinc/46/47/29/956464729.db2.gz BUGSVOMPWMTFTI-UHFFFAOYSA-N -1 0 307.241 -0.147 20 0 DBADRM C[C@@H](SCC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001589169789 956464915 /nfs/dbraw/zinc/46/49/15/956464915.db2.gz NNXMKENDYWXSLM-MRVPVSSYSA-N -1 0 324.424 -0.267 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccccn2)C1 ZINC001593958706 956465795 /nfs/dbraw/zinc/46/57/95/956465795.db2.gz IUIQLVCVOGUGHJ-CQSZACIVSA-N -1 0 307.306 -0.030 20 0 DBADRM NC(=O)c1ccc(CNC(=O)c2cn(CC(=O)[O-])nn2)cc1 ZINC001594650952 956473764 /nfs/dbraw/zinc/47/37/64/956473764.db2.gz NLKQSOYDHSSHTR-UHFFFAOYSA-N -1 0 303.278 -0.608 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC001593959725 956474338 /nfs/dbraw/zinc/47/43/38/956474338.db2.gz CYNBIMATJJKMFG-BPNCWPANSA-N -1 0 300.355 -0.609 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001593959591 956474896 /nfs/dbraw/zinc/47/48/96/956474896.db2.gz CDPIMTMXCDUJPW-GFCCVEGCSA-N -1 0 322.383 -0.736 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001593960143 956479373 /nfs/dbraw/zinc/47/93/73/956479373.db2.gz NPFUJJNPUWTJGI-XPTSAGLGSA-N -1 0 324.337 -0.504 20 0 DBADRM NC(=O)c1cccc2c1CCN(C(=O)[C@H]1CC(C(=O)[O-])=NO1)C2 ZINC001594652525 956482053 /nfs/dbraw/zinc/48/20/53/956482053.db2.gz YGXYBUFSWVDKQK-GFCCVEGCSA-N -1 0 317.301 -0.100 20 0 DBADRM NS(=O)(=O)CCOCCNC(=O)C1(C(=O)[O-])CCCCC1 ZINC001594657528 956507195 /nfs/dbraw/zinc/50/71/95/956507195.db2.gz HMUIVOYTOOLWFP-UHFFFAOYSA-N -1 0 322.383 -0.557 20 0 DBADRM NS(=O)(=O)CCCCCC(=O)NC1(C(=O)[O-])CCOCC1 ZINC001594657273 956507505 /nfs/dbraw/zinc/50/75/05/956507505.db2.gz CUEPZDLWOYDEHS-UHFFFAOYSA-N -1 0 322.383 -0.415 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001594657530 956508535 /nfs/dbraw/zinc/50/85/35/956508535.db2.gz HPXIEGUSFSTHOL-IWSPIJDZSA-N -1 0 305.356 -0.830 20 0 DBADRM N#Cc1cccc(S(=O)(=O)CCN2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000388753682 972189965 /nfs/dbraw/zinc/18/99/65/972189965.db2.gz DSMDSNNYNURJHT-DGCLKSJQSA-N -1 0 324.358 -0.148 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@H](C)S(C)(=O)=O)C1 ZINC001593963114 956511401 /nfs/dbraw/zinc/51/14/01/956511401.db2.gz GWUNGEVQZXNIDU-JOYOIKCWSA-N -1 0 322.383 -0.448 20 0 DBADRM Nc1c(C(=O)N2CCOC[C@H]2C(=O)[O-])cnn1-c1ccccn1 ZINC001594658834 956514398 /nfs/dbraw/zinc/51/43/98/956514398.db2.gz BLWCJPKJCHRVJS-JTQLQIEISA-N -1 0 317.305 -0.225 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)Nc2nccn(C)c2=O)C1 ZINC001593963365 956514419 /nfs/dbraw/zinc/51/44/19/956514419.db2.gz CRAVNNIMWCCVOM-CYBMUJFWSA-N -1 0 310.310 -0.265 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001593963378 956515855 /nfs/dbraw/zinc/51/58/55/956515855.db2.gz CYXAEBFFABSRDS-OAHLLOKOSA-N -1 0 323.349 -0.086 20 0 DBADRM NS(=O)(=O)c1ccsc1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594660020 956526242 /nfs/dbraw/zinc/52/62/42/956526242.db2.gz GAETXOUFKDAVCE-IZLXSQMJSA-N -1 0 304.349 -0.012 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001593965755 956535617 /nfs/dbraw/zinc/53/56/17/956535617.db2.gz DGIGFAQQWDLNMK-AWEZNQCLSA-N -1 0 307.306 -0.256 20 0 DBADRM C[C@H](c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C)S(C)(=O)=O ZINC001589182956 956545305 /nfs/dbraw/zinc/54/53/05/956545305.db2.gz WFDQUUQRIIFEKJ-HTQZYQBOSA-N -1 0 302.356 -0.168 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1C(=O)CNC(=O)c1ncccc1O ZINC001589185167 956557720 /nfs/dbraw/zinc/55/77/20/956557720.db2.gz XRVNKYUXHVPWIY-CQSZACIVSA-N -1 0 307.306 -0.017 20 0 DBADRM Nc1ncnc2c1ncn2CCCC(=O)N1CC(C(=O)[O-])C1 ZINC001594664816 956561099 /nfs/dbraw/zinc/56/10/99/956561099.db2.gz ANGCFEYLNNBXFK-UHFFFAOYSA-N -1 0 304.310 -0.268 20 0 DBADRM Nc1nccnc1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594665038 956565752 /nfs/dbraw/zinc/56/57/52/956565752.db2.gz MSXSJKBTUKYXAL-MRVPVSSYSA-N -1 0 307.310 -0.746 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)C1 ZINC001589187305 956566073 /nfs/dbraw/zinc/56/60/73/956566073.db2.gz PQRGSTNTJZWGAX-UFBFGSQYSA-N -1 0 320.292 -0.462 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccnc3c2nnn3C)C1 ZINC001593967350 956569454 /nfs/dbraw/zinc/56/94/54/956569454.db2.gz GFBIAQOAOHOGET-CQSZACIVSA-N -1 0 319.321 -0.073 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=S)NCC(=O)NC(C)C)C1 ZINC001593967378 956570723 /nfs/dbraw/zinc/57/07/23/956570723.db2.gz GZUPEXXOOZSORA-ZDUSSCGKSA-N -1 0 317.411 -0.191 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@H](CCO)C2)C1 ZINC001589187877 956572145 /nfs/dbraw/zinc/57/21/45/956572145.db2.gz IYRQXWBUDXJUOR-IAQYHMDHSA-N -1 0 312.366 -0.069 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H](CCO)C2)C1 ZINC001589187879 956572420 /nfs/dbraw/zinc/57/24/20/956572420.db2.gz IYRQXWBUDXJUOR-XHDPSFHLSA-N -1 0 312.366 -0.069 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCC[C@H]2CCO)C1 ZINC001589188110 956575303 /nfs/dbraw/zinc/57/53/03/956575303.db2.gz RSSPKBDSJGBHGC-PGUXBMHVSA-N -1 0 312.366 -0.023 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N=S(C)(C)=O)C1 ZINC001593967715 956576375 /nfs/dbraw/zinc/57/63/75/956576375.db2.gz MOIWAGHZAZUYJE-SECBINFHSA-N -1 0 314.385 -0.618 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC001589188878 956583291 /nfs/dbraw/zinc/58/32/91/956583291.db2.gz KMRRIKWNPIBPFG-GFCCVEGCSA-N -1 0 313.335 -0.041 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC001589189054 956587009 /nfs/dbraw/zinc/58/70/09/956587009.db2.gz PVVGRRLBBRXVQP-LBPRGKRZSA-N -1 0 313.335 -0.192 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001593968828 956591056 /nfs/dbraw/zinc/59/10/56/956591056.db2.gz WUBQAEJKXYXVDF-ZDUSSCGKSA-N -1 0 311.294 -0.951 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCC2(C)COC2)CCO1 ZINC001593970198 956602031 /nfs/dbraw/zinc/60/20/31/956602031.db2.gz DDJAYBOXYCZIAP-CYBMUJFWSA-N -1 0 302.327 -0.466 20 0 DBADRM Nn1c(Cc2ccccc2)nnc1SCC(=O)NCC(=O)[O-] ZINC001594668710 956602043 /nfs/dbraw/zinc/60/20/43/956602043.db2.gz YWBYFFYHFPOOLI-UHFFFAOYSA-N -1 0 321.362 -0.124 20 0 DBADRM O=C([O-])c1ccc(/C=C/C(=O)N[C@H](CO)CN2CCOCC2)o1 ZINC001594669644 956607258 /nfs/dbraw/zinc/60/72/58/956607258.db2.gz FKAIJUXGKUMUKK-FWEMWIAWSA-N -1 0 324.333 -0.200 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@@H]2CCOC[C@H]2C)CCO1 ZINC001593970541 956608691 /nfs/dbraw/zinc/60/86/91/956608691.db2.gz KSMUGHHWMWXUQZ-GYSYKLTISA-N -1 0 316.354 -0.077 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)NCC(C)(C)OC)CCO1 ZINC001593970844 956613388 /nfs/dbraw/zinc/61/33/88/956613388.db2.gz MVVFMAXWLLZXQH-ZDUSSCGKSA-N -1 0 304.343 -0.077 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NC2CCOCC2)CCO1 ZINC001593971877 956627974 /nfs/dbraw/zinc/62/79/74/956627974.db2.gz QWJGEOPTEOQNPP-CYBMUJFWSA-N -1 0 302.327 -0.323 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(c2nnnn2[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC001589203026 956645738 /nfs/dbraw/zinc/64/57/38/956645738.db2.gz IKKGAOPADHKSFN-IINYFYTJSA-N -1 0 320.353 -0.090 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(c2nnnn2[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC001589203028 956645751 /nfs/dbraw/zinc/64/57/51/956645751.db2.gz IKKGAOPADHKSFN-YGRLFVJLSA-N -1 0 320.353 -0.090 20 0 DBADRM C[C@@]1(C(N)=O)CCN(C(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001589203572 956649152 /nfs/dbraw/zinc/64/91/52/956649152.db2.gz PXCCFUBZFRIQMV-CQSZACIVSA-N -1 0 320.305 -0.558 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@]2(C)CCC(=O)NC2)CCO1 ZINC001593974407 956650379 /nfs/dbraw/zinc/65/03/79/956650379.db2.gz LSLMKTLACHVAJP-KBPBESRZSA-N -1 0 314.338 -0.769 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC[C@H](O)CS(C)(=O)=O ZINC001589204851 956657290 /nfs/dbraw/zinc/65/72/90/956657290.db2.gz OVTVYLBQNQXULC-QMMMGPOBSA-N -1 0 321.395 -0.355 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)/C=C/c2cnn(C)c2)CCO1 ZINC001593975449 956660515 /nfs/dbraw/zinc/66/05/15/956660515.db2.gz UXAWUHQEEOPXDF-XGACYXMMSA-N -1 0 309.322 -0.238 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H](O)CCSC)CCO1 ZINC001593975505 956660564 /nfs/dbraw/zinc/66/05/64/956660564.db2.gz QMRPVOAIYYJXLP-CABZTGNLSA-N -1 0 307.368 -0.571 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CN2CCCCC2=O)CCO1 ZINC001593975867 956663069 /nfs/dbraw/zinc/66/30/69/956663069.db2.gz UJZCJLKEARIHMB-AWEZNQCLSA-N -1 0 314.338 -0.673 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CCO1 ZINC001593977480 956679109 /nfs/dbraw/zinc/67/91/09/956679109.db2.gz BJPDPZNPCBTDRP-PUHVVEEASA-N -1 0 314.338 -0.182 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C[C@H]1C=CS(=O)(=O)C1)C2 ZINC001594678459 956679544 /nfs/dbraw/zinc/67/95/44/956679544.db2.gz RGDAXNMUOPRCQR-GIPNMCIBSA-N -1 0 315.347 -0.506 20 0 DBADRM O=C([O-])[C@]1(NC(=O)CCC(=O)N2CCC(O)CC2)CCOC1 ZINC001594678878 956684995 /nfs/dbraw/zinc/68/49/95/956684995.db2.gz MDESTGLMUGGIQN-AWEZNQCLSA-N -1 0 314.338 -0.890 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCCn2ccnc2)CCO1 ZINC001593978438 956686435 /nfs/dbraw/zinc/68/64/35/956686435.db2.gz IFKIOUSKTGTBFY-CYBMUJFWSA-N -1 0 312.326 -0.605 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H]2OCCO[C@@H]2C)CCO1 ZINC001593979069 956694837 /nfs/dbraw/zinc/69/48/37/956694837.db2.gz ZKUINMURFZKFEA-GIPNMCIBSA-N -1 0 303.311 -0.881 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2ccc(=O)n(C)c2)CCO1 ZINC001593980145 956708984 /nfs/dbraw/zinc/70/89/84/956708984.db2.gz NIINBSSANQGXKL-AWEZNQCLSA-N -1 0 310.306 -0.673 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001589212900 956709301 /nfs/dbraw/zinc/70/93/01/956709301.db2.gz NUYRLYBTIGNSQL-HUUCEWRRSA-N -1 0 312.366 -0.607 20 0 DBADRM O=C([O-])C(=O)COC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC001594686929 956717727 /nfs/dbraw/zinc/71/77/27/956717727.db2.gz WFGPNWXRDMZGDL-UHFFFAOYSA-N -1 0 312.278 -0.562 20 0 DBADRM O=C([O-])c1ccccc1CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001594689888 956739692 /nfs/dbraw/zinc/73/96/92/956739692.db2.gz AWVUXPBYFMVWNF-UHFFFAOYSA-N -1 0 317.301 -0.059 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(Cc2[nH]nc3c2COCC3)CCO1 ZINC001593984045 956742384 /nfs/dbraw/zinc/74/23/84/956742384.db2.gz NITJOSSCRWLNGN-CQSZACIVSA-N -1 0 311.338 -0.216 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2CCCCF)CCO1 ZINC001593984079 956742896 /nfs/dbraw/zinc/74/28/96/956742896.db2.gz FLBSNBSYSPZNSV-LBPRGKRZSA-N -1 0 317.321 -0.271 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2CC2CC=CC2)CCO1 ZINC001593984417 956748296 /nfs/dbraw/zinc/74/82/96/956748296.db2.gz ITIUVRIFXQBFQJ-AWEZNQCLSA-N -1 0 323.353 -0.054 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2cccn(C)c2=O)CCO1 ZINC001593984399 956748606 /nfs/dbraw/zinc/74/86/06/956748606.db2.gz XASRQFAVBAFREN-CQSZACIVSA-N -1 0 310.306 -0.673 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(c2nnnn2[C@@H](C)CF)CCO1 ZINC001593984388 956748864 /nfs/dbraw/zinc/74/88/64/956748864.db2.gz IMRINVJGQKKJCV-KWQFWETISA-N -1 0 303.294 -0.490 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)C[C@H]2CCOC2)CCO1 ZINC001593984494 956749711 /nfs/dbraw/zinc/74/97/11/956749711.db2.gz QIANBYBWOZLBPM-CMPLNLGQSA-N -1 0 323.367 -0.845 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2csc(=O)[nH]2)CCO1 ZINC001593984434 956749795 /nfs/dbraw/zinc/74/97/95/956749795.db2.gz XHXJOGMYDSCQGY-LLVKDONJSA-N -1 0 302.308 -0.209 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2ccnc3n[nH]nc32)CCO1 ZINC001593984464 956749887 /nfs/dbraw/zinc/74/98/87/956749887.db2.gz XXKZQQRJJAFIOV-ZDUSSCGKSA-N -1 0 321.293 -0.705 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)C[C@@H]2CCOC2)CCO1 ZINC001593984501 956749957 /nfs/dbraw/zinc/74/99/57/956749957.db2.gz QIANBYBWOZLBPM-ZYHUDNBSSA-N -1 0 323.367 -0.845 20 0 DBADRM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)CCn1cnnn1)O2 ZINC001594691156 956749776 /nfs/dbraw/zinc/74/97/76/956749776.db2.gz FAVKMCGHRZUJMW-QUNCOHTASA-N -1 0 309.326 -0.408 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CCn1cnccc1=O)C2 ZINC001594691894 956753434 /nfs/dbraw/zinc/75/34/34/956753434.db2.gz UKWLADJMRLVOGC-QMTHXVAHSA-N -1 0 307.306 -0.807 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001594692464 956756115 /nfs/dbraw/zinc/75/61/15/956756115.db2.gz QORWNBQKBSDUSN-ZJUUUORDSA-N -1 0 304.368 -0.219 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CN1CCCS1(=O)=O)C1CCC1 ZINC001594692571 956759801 /nfs/dbraw/zinc/75/98/01/956759801.db2.gz LKXNMIDLOXGVJE-SNVBAGLBSA-N -1 0 304.368 -0.361 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC001593985105 956762570 /nfs/dbraw/zinc/76/25/70/956762570.db2.gz CXERNQSAAGGRIH-CMPLNLGQSA-N -1 0 307.368 -0.777 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CC(=O)N[C@H](C)C(C)C)CCO1 ZINC001593985376 956766674 /nfs/dbraw/zinc/76/66/74/956766674.db2.gz GCTZJPJBVZTXJE-BXUZGUMPSA-N -1 0 302.371 -0.051 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C[C@@H](O)CC2(O)CCCC2)CCO1 ZINC001593985429 956768504 /nfs/dbraw/zinc/76/85/04/956768504.db2.gz GRSVLLGLKAALFN-SWLSCSKDSA-N -1 0 317.382 -0.156 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(CC(=O)N2CCCCC2)CCO1 ZINC001593985488 956770120 /nfs/dbraw/zinc/77/01/20/956770120.db2.gz HULWQZCISDKMSS-CQSZACIVSA-N -1 0 300.355 -0.199 20 0 DBADRM COC[C@@]1(C(=O)OC)CCCN1C(=O)[C@](C)(OC)C(=O)[O-] ZINC001593985968 956779469 /nfs/dbraw/zinc/77/94/69/956779469.db2.gz XREDHGMJIZJQEL-QWHCGFSZSA-N -1 0 303.311 -0.343 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(Cc2cc(=O)c(OC)co2)CCO1 ZINC001593986121 956783519 /nfs/dbraw/zinc/78/35/19/956783519.db2.gz NYDGBKVLNWFQPD-AWEZNQCLSA-N -1 0 313.306 -0.050 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C[C@@H]2CN(C3CC3)C(=O)O2)CCO1 ZINC001593986467 956792780 /nfs/dbraw/zinc/79/27/80/956792780.db2.gz XLHILSSUJBHUJI-RISCZKNCSA-N -1 0 314.338 -0.228 20 0 DBADRM CC1(C)CN(C(=O)C2(C(=O)[O-])CCOCC2)CCS1(=O)=O ZINC001589227273 956810767 /nfs/dbraw/zinc/81/07/67/956810767.db2.gz UGOWVHPOXPMMJH-UHFFFAOYSA-N -1 0 319.379 -0.097 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)NCCCCC(=O)[O-])CCO1 ZINC001593989392 956818543 /nfs/dbraw/zinc/81/85/43/956818543.db2.gz KYGWQEISNBGSTA-JTQLQIEISA-N -1 0 302.327 -0.769 20 0 DBADRM COC[C@H]1CCN1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593989556 956819959 /nfs/dbraw/zinc/81/99/59/956819959.db2.gz TTYKWMFXEWPZBK-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CC1(C)CNC(=O)[C@@H]1NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589232363 956836226 /nfs/dbraw/zinc/83/62/26/956836226.db2.gz SMLSMVGLWSUKKI-JTQLQIEISA-N -1 0 307.306 -0.813 20 0 DBADRM COCC[C@H](NC(=O)C1(CC(=O)[O-])CCOCC1)C(=O)OC ZINC001593990729 956841375 /nfs/dbraw/zinc/84/13/75/956841375.db2.gz NNOMLAXHEYXMBT-JTQLQIEISA-N -1 0 317.338 -0.048 20 0 DBADRM COCCCOCCC(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001593994544 956868025 /nfs/dbraw/zinc/86/80/25/956868025.db2.gz IWZDEEOCPLAIQA-CQSZACIVSA-N -1 0 319.354 -0.242 20 0 DBADRM C[C@]1(CCCC(=O)Nc2cnn(CC(=O)[O-])c2)NC(=O)NC1=O ZINC001589239818 956868885 /nfs/dbraw/zinc/86/88/85/956868885.db2.gz QUQSVXRJIFFWLN-CYBMUJFWSA-N -1 0 323.309 -0.325 20 0 DBADRM COCCN(C(=O)C(=O)NCCC(=O)[O-])C1CCOCC1 ZINC001593995288 956881865 /nfs/dbraw/zinc/88/18/65/956881865.db2.gz PMQSYAVKIJPXIO-UHFFFAOYSA-N -1 0 302.327 -0.769 20 0 DBADRM COCCCn1nc(C(=O)Nc2c[nH]nc2C(=O)[O-])ccc1=O ZINC001593995351 956883093 /nfs/dbraw/zinc/88/30/93/956883093.db2.gz SPGZQJCUWMUVIB-UHFFFAOYSA-N -1 0 321.293 -0.047 20 0 DBADRM O=C(Cc1nnc(C2CCOCC2)[nH]1)N[C@]1(C(=O)[O-])CCOC1 ZINC001594712972 956899272 /nfs/dbraw/zinc/89/92/72/956899272.db2.gz ROHFKKIYRPWGLG-CQSZACIVSA-N -1 0 324.337 -0.399 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)CCC[C@]1(C)NC(=O)NC1=O ZINC001593996757 956900223 /nfs/dbraw/zinc/90/02/23/956900223.db2.gz OTYRXTTVUPVJPF-ZDUSSCGKSA-N -1 0 315.326 -0.686 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)Cn1cc(C3CC3)nn1)C2 ZINC001594714351 956907493 /nfs/dbraw/zinc/90/74/93/956907493.db2.gz DKTONTPYMMQGGI-QMTHXVAHSA-N -1 0 306.322 -0.285 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001593998755 956911636 /nfs/dbraw/zinc/91/16/36/956911636.db2.gz HEGQNQAKESSGMN-JTQLQIEISA-N -1 0 312.326 -0.512 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ncccc1S(C)(=O)=O ZINC001593999874 956919565 /nfs/dbraw/zinc/91/95/65/956919565.db2.gz VKZZSLYURIZZBQ-UHFFFAOYSA-N -1 0 316.335 -0.342 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)Cn1nnc3c1CCCC3)C2 ZINC001594715167 956920928 /nfs/dbraw/zinc/92/09/28/956920928.db2.gz YJTKXXGUHUCUEB-BONVTDFDSA-N -1 0 320.349 -0.284 20 0 DBADRM COCCN(C[C@H](O)C(F)(F)F)C(=O)COCC(=O)[O-] ZINC001594000295 956924170 /nfs/dbraw/zinc/92/41/70/956924170.db2.gz PKCACHPWLYQQTO-ZETCQYMHSA-N -1 0 303.233 -0.514 20 0 DBADRM C[C@]1(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001589246597 956930153 /nfs/dbraw/zinc/93/01/53/956930153.db2.gz RAQZTUHNTYUWQZ-NRUUGDAUSA-N -1 0 319.379 -0.050 20 0 DBADRM C[C@]1(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCC(=O)N1 ZINC001589246861 956936090 /nfs/dbraw/zinc/93/60/90/956936090.db2.gz LYHVZUSPDBXXBQ-GZMMTYOYSA-N -1 0 305.356 -0.962 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001594002484 956940558 /nfs/dbraw/zinc/94/05/58/956940558.db2.gz NHRZWDVHZOGOLF-SNVBAGLBSA-N -1 0 305.352 -0.116 20 0 DBADRM C[C@]1(c2ccc(C(=O)OCC(=O)C(=O)[O-])cc2)NC(=O)NC1=O ZINC001589252319 956959890 /nfs/dbraw/zinc/95/98/90/956959890.db2.gz BLSVDHRXABJVOQ-CQSZACIVSA-N -1 0 320.257 -0.448 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCCN(C)C(=O)OC ZINC001594005716 956970602 /nfs/dbraw/zinc/97/06/02/956970602.db2.gz WXJYIUOGJLRCTH-UHFFFAOYSA-N -1 0 305.331 -0.183 20 0 DBADRM C[C@]12CN(C(=O)c3cnc(C(=O)[O-])cn3)C[C@@]1(C)C(=O)NC2=O ZINC001589255221 956983425 /nfs/dbraw/zinc/98/34/25/956983425.db2.gz SIOPZPDKUOHSBL-OKILXGFUSA-N -1 0 318.289 -0.700 20 0 DBADRM O=C([O-])[C@]1(NC(=O)[C@H]2CC(c3ccccn3)=NO2)CCOC1 ZINC001594723883 956983559 /nfs/dbraw/zinc/98/35/59/956983559.db2.gz HDYGVIBKKDCPMM-RISCZKNCSA-N -1 0 305.290 -0.066 20 0 DBADRM C[C@@]12CN(C(=O)C3(C(=O)[O-])CC=CC3)C[C@@]1(C)C(=O)NC2=O ZINC001589255274 956984732 /nfs/dbraw/zinc/98/47/32/956984732.db2.gz UEFVIOTWGXPKRL-KBPBESRZSA-N -1 0 306.318 -0.081 20 0 DBADRM CC1=C(C(=O)N(C)C)[C@H](c2cc(C(=O)[O-])nn2C)NC(=S)N1 ZINC001589255272 956984959 /nfs/dbraw/zinc/98/49/59/956984959.db2.gz UCLTTWJVVPCVKL-JTQLQIEISA-N -1 0 323.378 -0.001 20 0 DBADRM CC1=C(C(=O)N(CC(=O)[O-])CC2CC2)S(=O)(=O)CCO1 ZINC001589255476 956985892 /nfs/dbraw/zinc/98/58/92/956985892.db2.gz WQUOWCLPUVNTPD-UHFFFAOYSA-N -1 0 303.336 -0.014 20 0 DBADRM CC1=C(C(=O)N2CC[C@](C)(C(=O)[O-])C2)Cn2nnnc2N1C ZINC001589256113 956989707 /nfs/dbraw/zinc/98/97/07/956989707.db2.gz HELKFXUARURVTM-ZDUSSCGKSA-N -1 0 306.326 -0.280 20 0 DBADRM COCCN(CCC(=O)[O-])Cc1ccc(S(N)(=O)=O)o1 ZINC001594011425 957002378 /nfs/dbraw/zinc/00/23/78/957002378.db2.gz SAYYWVDOGDHDBQ-UHFFFAOYSA-N -1 0 306.340 -0.150 20 0 DBADRM CN(C)C(=O)CNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000013277280 957007894 /nfs/dbraw/zinc/00/78/94/957007894.db2.gz CLYMBODPDCHGHK-UHFFFAOYSA-N -1 0 324.293 -0.091 20 0 DBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589257609 957013822 /nfs/dbraw/zinc/01/38/22/957013822.db2.gz BFELCRNBWSQBII-SECBINFHSA-N -1 0 319.317 -0.401 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589257610 957014027 /nfs/dbraw/zinc/01/40/27/957014027.db2.gz BFELCRNBWSQBII-VIFPVBQESA-N -1 0 319.317 -0.401 20 0 DBADRM COCCN(CCOC)C1CN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C1 ZINC001594014587 957020047 /nfs/dbraw/zinc/02/00/47/957020047.db2.gz PCYACLDTJASJSP-ABAIWWIYSA-N -1 0 314.382 -0.097 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)N2CCC3(COC3)C2)CC1 ZINC001594729917 957030333 /nfs/dbraw/zinc/03/03/33/957030333.db2.gz FHXPUQDEZPYYMW-UHFFFAOYSA-N -1 0 310.350 -0.005 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001589260155 957030736 /nfs/dbraw/zinc/03/07/36/957030736.db2.gz YJYYWKHAKROXSS-SECBINFHSA-N -1 0 319.383 -0.810 20 0 DBADRM COCCNC(=O)CNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001594016107 957037714 /nfs/dbraw/zinc/03/77/14/957037714.db2.gz NLDUIJUSHXYCGN-UHFFFAOYSA-N -1 0 302.327 -0.863 20 0 DBADRM COCCOC[C@@H]1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594018284 957051595 /nfs/dbraw/zinc/05/15/95/957051595.db2.gz QNHKYUMKTRXLHQ-KOLCDFICSA-N -1 0 300.311 -0.273 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)C1 ZINC001594734684 957059890 /nfs/dbraw/zinc/05/98/90/957059890.db2.gz INLJURYGLPTEEQ-IJLUTSLNSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC001594734686 957060058 /nfs/dbraw/zinc/06/00/58/957060058.db2.gz INLJURYGLPTEEQ-TUAOUCFPSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)CC1 ZINC001594736209 957071679 /nfs/dbraw/zinc/07/16/79/957071679.db2.gz APNUXJAKLFCKPI-NSHDSACASA-N -1 0 320.349 -0.294 20 0 DBADRM COCCOc1ccc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cn1 ZINC001594020317 957076053 /nfs/dbraw/zinc/07/60/53/957076053.db2.gz OALODLFOTGJZBW-NSHDSACASA-N -1 0 323.305 -0.048 20 0 DBADRM COCCOc1ccc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)cn1 ZINC001594020313 957076229 /nfs/dbraw/zinc/07/62/29/957076229.db2.gz OALODLFOTGJZBW-LLVKDONJSA-N -1 0 323.305 -0.048 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CCO1 ZINC001589265443 957076254 /nfs/dbraw/zinc/07/62/54/957076254.db2.gz GOXNSBXNRHHGLO-OPRDCNLKSA-N -1 0 305.352 -0.488 20 0 DBADRM COCCOc1ccc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)nn1 ZINC001594020414 957077647 /nfs/dbraw/zinc/07/76/47/957077647.db2.gz UROVPQTVTONIEN-JTQLQIEISA-N -1 0 324.293 -0.653 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC2(COC2)C1)C1CCC1 ZINC001594737234 957083717 /nfs/dbraw/zinc/08/37/17/957083717.db2.gz OJDZMRVSRISEKF-NSHDSACASA-N -1 0 310.350 -0.148 20 0 DBADRM O=C([O-])c1cncc(NC(=O)C(=O)NCC(=O)N2CCCC2)c1 ZINC001594737217 957083839 /nfs/dbraw/zinc/08/38/39/957083839.db2.gz NIVXBJSDSQZGBU-UHFFFAOYSA-N -1 0 320.305 -0.543 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001594021816 957085786 /nfs/dbraw/zinc/08/57/86/957085786.db2.gz MMUJLVZJEBWCJC-NXEZZACHSA-N -1 0 307.368 -0.383 20 0 DBADRM O=C([O-])[C@H](CC(F)F)NC(=O)Cn1nc2ccccn2c1=O ZINC000389704659 972242259 /nfs/dbraw/zinc/24/22/59/972242259.db2.gz LHVNCFVZBLCIEF-ZETCQYMHSA-N -1 0 314.248 -0.279 20 0 DBADRM O=C(CN1CCC(C(=O)[O-])CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000032198588 957176355 /nfs/dbraw/zinc/17/63/55/957176355.db2.gz ZKZUULRSBMEPEJ-SNVBAGLBSA-N -1 0 304.368 -0.914 20 0 DBADRM COCCn1cc(NS(=O)(=O)CCC(=O)[O-])ccc1=O ZINC000037056213 957263595 /nfs/dbraw/zinc/26/35/95/957263595.db2.gz KRKSGYVAXPLVSY-UHFFFAOYSA-N -1 0 304.324 -0.289 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000037226217 957266971 /nfs/dbraw/zinc/26/69/71/957266971.db2.gz GLNKKINVGVPLLN-LURJTMIESA-N -1 0 309.321 -0.742 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)Cn1ccc(C(F)(F)F)n1 ZINC000037449159 957291395 /nfs/dbraw/zinc/29/13/95/957291395.db2.gz URDJOGWFEKPJAZ-RQJHMYQMSA-N -1 0 307.228 -0.052 20 0 DBADRM CS(=O)(=O)Cc1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000037451248 957294916 /nfs/dbraw/zinc/29/49/16/957294916.db2.gz UJNGNUVLVOBQMN-JTQLQIEISA-N -1 0 301.320 -0.594 20 0 DBADRM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037732075 957323241 /nfs/dbraw/zinc/32/32/41/957323241.db2.gz XKQYGRBTWRLRRV-QMMMGPOBSA-N -1 0 316.339 -0.651 20 0 DBADRM C[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])c1nncn1C ZINC000037732186 957323267 /nfs/dbraw/zinc/32/32/67/957323267.db2.gz SDPOBTBEEWWAQP-YFKPBYRVSA-N -1 0 300.300 -0.724 20 0 DBADRM NC(=O)CN(C1CCCC1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037837376 957333157 /nfs/dbraw/zinc/33/31/57/957333157.db2.gz SCKIMSNXIOKMQQ-UHFFFAOYSA-N -1 0 316.339 -0.474 20 0 DBADRM Cc1noc(CCCNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001327056503 957335756 /nfs/dbraw/zinc/33/57/56/957335756.db2.gz SXGZFVCNBMSFMW-VHSXEESVSA-N -1 0 324.337 -0.204 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(CCO)CC2)s1 ZINC000038058685 957352378 /nfs/dbraw/zinc/35/23/78/957352378.db2.gz KOXGNBRUSQSBRG-UHFFFAOYSA-N -1 0 320.392 -0.255 20 0 DBADRM CCOC(=O)CN(CC)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000042558751 957420535 /nfs/dbraw/zinc/42/05/35/957420535.db2.gz DZYSZXJNQSILID-UHFFFAOYSA-N -1 0 305.312 -0.318 20 0 DBADRM CSCC[C@H](NC(N)=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000043701349 957440353 /nfs/dbraw/zinc/44/03/53/957440353.db2.gz NODIYLHEQMQBCX-YUMQZZPRSA-N -1 0 305.356 -0.912 20 0 DBADRM CCNC(=O)CN(C)c1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000049716987 957479846 /nfs/dbraw/zinc/47/98/46/957479846.db2.gz SFKQWRPSELNLJN-UHFFFAOYSA-N -1 0 315.351 -0.396 20 0 DBADRM CCCN(CC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000050351160 957490301 /nfs/dbraw/zinc/49/03/01/957490301.db2.gz HITPZGUSIXTODK-UHFFFAOYSA-N -1 0 313.397 -0.310 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000390222841 972270679 /nfs/dbraw/zinc/27/06/79/972270679.db2.gz FANMSWXWRPNXAT-GFCCVEGCSA-N -1 0 321.399 -0.178 20 0 DBADRM COCC[C@@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000052787338 957514257 /nfs/dbraw/zinc/51/42/57/957514257.db2.gz DZKZSCVWZMFQLD-DTWKUNHWSA-N -1 0 308.356 -0.695 20 0 DBADRM CCCCNC(=O)NC(=O)CSC[C@H](NC(C)=O)C(=O)[O-] ZINC000069554898 957652275 /nfs/dbraw/zinc/65/22/75/957652275.db2.gz QOYVZCNSPGLENW-VIFPVBQESA-N -1 0 319.383 -0.065 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(F)c1 ZINC000070216024 957666534 /nfs/dbraw/zinc/66/65/34/957666534.db2.gz VZHYIUGXPIKKCS-JTQLQIEISA-N -1 0 316.310 -0.211 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)c1C(=O)[O-] ZINC000070446510 957672718 /nfs/dbraw/zinc/67/27/18/957672718.db2.gz SBFFHAPGAZKOKD-SSDOTTSWSA-N -1 0 316.339 -0.555 20 0 DBADRM O=C([O-])Cn1cc(C(=O)NC[C@@H](O)c2cccc(F)c2)nn1 ZINC001574738104 957674827 /nfs/dbraw/zinc/67/48/27/957674827.db2.gz LFZCVOOLWIQIOK-LLVKDONJSA-N -1 0 308.269 -0.035 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@H](CO)C[C@H]2CCCO2)c1=O ZINC001574745233 957702587 /nfs/dbraw/zinc/70/25/87/957702587.db2.gz KOOBFIQBCPILQJ-WDEREUQCSA-N -1 0 324.333 -0.407 20 0 DBADRM O=C([O-])C1CN(C(=O)CSCC(=O)N2CCOCC2)C1 ZINC000071172398 957703272 /nfs/dbraw/zinc/70/32/72/957703272.db2.gz CNGZJKGEGVYFQW-UHFFFAOYSA-N -1 0 302.352 -0.879 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CCOCC(F)(F)F ZINC000071238629 957709876 /nfs/dbraw/zinc/70/98/76/957709876.db2.gz NNEHBGCXCUIWLA-SSDOTTSWSA-N -1 0 312.244 -0.243 20 0 DBADRM COCCn1nnc2c1CCN(Cc1c(C(=O)[O-])cnn1C)C2 ZINC001594025459 957713667 /nfs/dbraw/zinc/71/36/67/957713667.db2.gz OALHLWSQXBIJMX-UHFFFAOYSA-N -1 0 320.353 -0.086 20 0 DBADRM COCOCCCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594025477 957714199 /nfs/dbraw/zinc/71/41/99/957714199.db2.gz PONKKFOFRUZELA-UHFFFAOYSA-N -1 0 323.367 -0.607 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000071271407 957715570 /nfs/dbraw/zinc/71/55/70/957715570.db2.gz OMAMIESXBPMWBA-SECBINFHSA-N -1 0 319.335 -0.321 20 0 DBADRM COC[C@@H](O)CNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000071271420 957715709 /nfs/dbraw/zinc/71/57/09/957715709.db2.gz IDQIBQVTZZLVJN-VIFPVBQESA-N -1 0 319.335 -0.564 20 0 DBADRM COCCn1ccc(C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])n1 ZINC001594025602 957716267 /nfs/dbraw/zinc/71/62/67/957716267.db2.gz YRQDIAIRNRHQDJ-JTQLQIEISA-N -1 0 313.310 -0.334 20 0 DBADRM COC[C@H](CO)NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001594025783 957718722 /nfs/dbraw/zinc/71/87/22/957718722.db2.gz BLYNGVOJJCNJHW-QMMMGPOBSA-N -1 0 300.315 -0.168 20 0 DBADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(C)[nH]1 ZINC001594276161 957719500 /nfs/dbraw/zinc/71/95/00/957719500.db2.gz RLEFVUWYTBSRSN-SNVBAGLBSA-N -1 0 300.336 -0.045 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1 ZINC001330606562 957724382 /nfs/dbraw/zinc/72/43/82/957724382.db2.gz PCBCGIDCTIWRNQ-HNNXBMFYSA-N -1 0 311.382 -0.232 20 0 DBADRM COCc1cccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001594029068 957740651 /nfs/dbraw/zinc/74/06/51/957740651.db2.gz JSPIZICIUAXUHV-AWEZNQCLSA-N -1 0 310.306 -0.277 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC001574764563 957745751 /nfs/dbraw/zinc/74/57/51/957745751.db2.gz VHZMZLXSUKXSLZ-CHWFTXMASA-N -1 0 317.363 -0.488 20 0 DBADRM COCc1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC001594029487 957748919 /nfs/dbraw/zinc/74/89/19/957748919.db2.gz ODUKLHLLNMMUES-GFCCVEGCSA-N -1 0 303.336 -0.053 20 0 DBADRM COCn1ccc(C(=O)N2CCO[C@](COC)(C(=O)[O-])C2)n1 ZINC001594031013 957758385 /nfs/dbraw/zinc/75/83/85/957758385.db2.gz FEFRUBAUFTWFDQ-CYBMUJFWSA-N -1 0 313.310 -0.571 20 0 DBADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC(NS(N)(=O)=O)C2)c1 ZINC001594282582 957758743 /nfs/dbraw/zinc/75/87/43/957758743.db2.gz UQUQMDBUODMNGX-UHFFFAOYSA-N -1 0 313.335 -0.689 20 0 DBADRM CN(Cc1ncc[nH]1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000080522128 957765816 /nfs/dbraw/zinc/76/58/16/957765816.db2.gz ZKVBRTDPGWHVOP-UHFFFAOYSA-N -1 0 302.356 -0.117 20 0 DBADRM COCn1nccc1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC001594032189 957769161 /nfs/dbraw/zinc/76/91/61/957769161.db2.gz DKXWTRCJWAFJKR-UHFFFAOYSA-N -1 0 319.339 -0.601 20 0 DBADRM COCc1nc2n(n1)C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)CC2 ZINC001594032456 957771146 /nfs/dbraw/zinc/77/11/46/957771146.db2.gz FITMRBGAQHSVEJ-NUPCCRGMSA-N -1 0 308.338 -0.034 20 0 DBADRM CON(C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)[C@H](C)C(=O)[O-] ZINC001594032834 957775621 /nfs/dbraw/zinc/77/56/21/957775621.db2.gz HTKGEZXAJUKYMC-RKDXNWHRSA-N -1 0 310.310 -0.364 20 0 DBADRM O=C([O-])c1cc(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[nH]n1 ZINC001574789843 957802604 /nfs/dbraw/zinc/80/26/04/957802604.db2.gz KGWOPJZAECRLGA-KOLCDFICSA-N -1 0 324.337 -0.074 20 0 DBADRM CON(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)[C@@H](C)C(=O)[O-] ZINC001594035625 957810780 /nfs/dbraw/zinc/81/07/80/957810780.db2.gz OCFAOASBGKMIMN-WPPNPWJKSA-N -1 0 313.310 -0.430 20 0 DBADRM CON(C(=O)CCC[C@]1(C)NC(=O)NC1=O)[C@@H](C)C(=O)[O-] ZINC001594035980 957813620 /nfs/dbraw/zinc/81/36/20/957813620.db2.gz ORTRLLSRQYVCDC-MADCSZMMSA-N -1 0 301.299 -0.382 20 0 DBADRM CON(C)C(=O)C1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001594040911 957875019 /nfs/dbraw/zinc/87/50/19/957875019.db2.gz SNXKANYOOLLEEX-UHFFFAOYSA-N -1 0 310.310 -0.020 20 0 DBADRM CON(C)C(=O)[C@H](CCSC)NC(=O)NCCC(=O)[O-] ZINC001594041899 957879493 /nfs/dbraw/zinc/87/94/93/957879493.db2.gz GDAAMDBJHHCUHQ-QMMMGPOBSA-N -1 0 307.372 -0.098 20 0 DBADRM CON(C)CCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594042548 957888487 /nfs/dbraw/zinc/88/84/87/957888487.db2.gz WZRBYVYMWIPLSK-JTQLQIEISA-N -1 0 316.358 -0.756 20 0 DBADRM O=C([O-])c1cnc(C(=O)N[C@H]2CC(=O)N(CC3CC3)C2)cn1 ZINC001574818010 957893074 /nfs/dbraw/zinc/89/30/74/957893074.db2.gz AVGYPYLYSYAOHL-VIFPVBQESA-N -1 0 304.306 -0.085 20 0 DBADRM CON1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1 ZINC001594043324 957899074 /nfs/dbraw/zinc/89/90/74/957899074.db2.gz BSWWJCOJMBNMMV-UHFFFAOYSA-N -1 0 304.343 -0.506 20 0 DBADRM CON1CCC(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001594043905 957903530 /nfs/dbraw/zinc/90/35/30/957903530.db2.gz MZWJHWHUYRMJFI-LLVKDONJSA-N -1 0 313.354 -0.548 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)cn1 ZINC001574819822 957903578 /nfs/dbraw/zinc/90/35/78/957903578.db2.gz FXAKHADCNQVAFV-MNOVXSKESA-N -1 0 320.305 -0.706 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)N(CCO)CCOCCO)c1 ZINC001574820168 957905031 /nfs/dbraw/zinc/90/50/31/957905031.db2.gz KEEROAUDEUOXBX-UHFFFAOYSA-N -1 0 313.310 -0.385 20 0 DBADRM Cc1cc(C[C@H](C)NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)[nH]n1 ZINC001594300910 957907986 /nfs/dbraw/zinc/90/79/86/957907986.db2.gz ZKTZHSZSCLSDOA-WCBMZHEXSA-N -1 0 308.338 -0.302 20 0 DBADRM CO[C@@H]1C[C@H]1C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001594044612 957912460 /nfs/dbraw/zinc/91/24/60/957912460.db2.gz WSTTXZFCWJCYKX-YUSALJHKSA-N -1 0 310.350 -0.055 20 0 DBADRM Cc1cc(CCNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])nn1C ZINC001594302104 957918330 /nfs/dbraw/zinc/91/83/30/957918330.db2.gz HTVOGCVWYNTCGZ-VIFPVBQESA-N -1 0 310.354 -0.434 20 0 DBADRM Cc1cc(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)nn1C ZINC001594302808 957927231 /nfs/dbraw/zinc/92/72/31/957927231.db2.gz WYHNNCCUBVWAKL-LLVKDONJSA-N -1 0 322.365 -0.290 20 0 DBADRM Cc1cc(CNC(=O)NCCOCCOCC(=O)[O-])ncn1 ZINC001594303844 957938736 /nfs/dbraw/zinc/93/87/36/957938736.db2.gz CNDIEOJYBIKYOO-UHFFFAOYSA-N -1 0 312.326 -0.298 20 0 DBADRM Cc1cc(CNC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)n[nH]1 ZINC001594303942 957942733 /nfs/dbraw/zinc/94/27/33/957942733.db2.gz GBBIEPHNCREIKS-LLVKDONJSA-N -1 0 323.353 -0.017 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCC[C@H]1CCOC1=O ZINC001574827744 957951750 /nfs/dbraw/zinc/95/17/50/957951750.db2.gz VAXBWFMLIFLKMM-UWVGGRQHSA-N -1 0 320.367 -0.287 20 0 DBADRM COc1cc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)nn1C ZINC001594050963 957990499 /nfs/dbraw/zinc/99/04/99/957990499.db2.gz UKYSXGRQWHSPIN-VIFPVBQESA-N -1 0 324.337 -0.376 20 0 DBADRM COc1cc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)ncn1 ZINC001594051024 957992166 /nfs/dbraw/zinc/99/21/66/957992166.db2.gz WVJMGJRCGQGKSQ-VIFPVBQESA-N -1 0 322.321 -0.319 20 0 DBADRM CC[C@H](CNC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC000087484342 958014585 /nfs/dbraw/zinc/01/45/85/958014585.db2.gz RGRUOHOCFGYGJV-SSDOTTSWSA-N -1 0 303.340 -0.487 20 0 DBADRM Cc1cc(NC(=O)C(=O)NCCOCC(N)=O)ccc1C(=O)[O-] ZINC001594315055 958059720 /nfs/dbraw/zinc/05/97/20/958059720.db2.gz UTLQADWSUOPHAA-UHFFFAOYSA-N -1 0 323.305 -0.750 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CO)C2)CC[C@@H]1C(=O)[O-] ZINC001348446490 958080903 /nfs/dbraw/zinc/08/09/03/958080903.db2.gz HCLSPDXGGIRZOA-UTUOFQBUSA-N -1 0 312.366 -0.214 20 0 DBADRM Cc1nonc1CC(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001485370399 1013166211 /nfs/dbraw/zinc/16/62/11/1013166211.db2.gz GOPNBVMQSSSCAE-SSDOTTSWSA-N -1 0 309.330 -0.619 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC000089754501 958088801 /nfs/dbraw/zinc/08/88/01/958088801.db2.gz HUNOBDZAWWTUFQ-VIFPVBQESA-N -1 0 312.303 -0.532 20 0 DBADRM Cn1cnc(CCCNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001349354541 958088940 /nfs/dbraw/zinc/08/89/40/958088940.db2.gz HCRGWECJWOIDKV-VHSXEESVSA-N -1 0 323.353 -0.767 20 0 DBADRM COc1cc(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)[nH]n1 ZINC001594062170 958099675 /nfs/dbraw/zinc/09/96/75/958099675.db2.gz QLPNRAYDMXCWPD-SFYZADRCSA-N -1 0 310.310 -0.074 20 0 DBADRM COc1cc(NC(=O)NCCOCCOCC(=O)[O-])n(C)n1 ZINC001594062476 958104081 /nfs/dbraw/zinc/10/40/81/958104081.db2.gz DGPHIHVPQCHNPA-UHFFFAOYSA-N -1 0 316.314 -0.332 20 0 DBADRM CN(C)C(=O)N1CCC(C(=O)NC[C@@](C)(O)C(=O)[O-])CC1 ZINC000090275371 958107453 /nfs/dbraw/zinc/10/74/53/958107453.db2.gz FYFUZEBOINPBOE-CYBMUJFWSA-N -1 0 301.343 -0.668 20 0 DBADRM C[C@](O)(CNC(=O)CSc1nnnn1C1CC1)C(=O)[O-] ZINC000090276383 958108525 /nfs/dbraw/zinc/10/85/25/958108525.db2.gz BVQLRPHPSITDDS-JTQLQIEISA-N -1 0 301.328 -0.948 20 0 DBADRM NC(=O)CCS(=O)(=O)CCN1CCSC[C@H]1CC(=O)[O-] ZINC000091131830 958126217 /nfs/dbraw/zinc/12/62/17/958126217.db2.gz NQVSHYAMMOYXRK-SECBINFHSA-N -1 0 324.424 -0.831 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC(C)(C)F)C1 ZINC001353218728 958154205 /nfs/dbraw/zinc/15/42/05/958154205.db2.gz URDYZBANMHANTN-CYBMUJFWSA-N -1 0 304.318 -0.200 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NCCOCCO)c(F)c1 ZINC000092114679 958158199 /nfs/dbraw/zinc/15/81/99/958158199.db2.gz WTFVRHNBLJUWLG-UHFFFAOYSA-N -1 0 307.299 -0.189 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC001353923649 958164884 /nfs/dbraw/zinc/16/48/84/958164884.db2.gz ZWXFBLZTWGYRCS-VXGBXAGGSA-N -1 0 302.371 -0.505 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)CNCC(F)(F)F)C2)nn1 ZINC000092696685 958173510 /nfs/dbraw/zinc/17/35/10/958173510.db2.gz SHKDAVNLQUMLNR-UHFFFAOYSA-N -1 0 307.232 -0.489 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001356439316 958175171 /nfs/dbraw/zinc/17/51/71/958175171.db2.gz JGVOIRRIPBPCGI-SQYUCLKFSA-N -1 0 310.350 -0.149 20 0 DBADRM Cc1cc(=O)[nH]c(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001594326538 958178797 /nfs/dbraw/zinc/17/87/97/958178797.db2.gz FTZKIRGCPXQQDH-MRVPVSSYSA-N -1 0 301.324 -0.826 20 0 DBADRM COc1ccc(-c2noc(CN3CCO[C@@H](C(=O)[O-])C3)n2)nn1 ZINC001594074399 958202933 /nfs/dbraw/zinc/20/29/33/958202933.db2.gz TXHVBIFIUGIBAR-SECBINFHSA-N -1 0 321.293 -0.179 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1COc2ccccc2O1 ZINC000391294508 972327848 /nfs/dbraw/zinc/32/78/48/972327848.db2.gz WUVQRZPFTGNOPX-SKDRFNHKSA-N -1 0 320.301 -0.372 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)N1CCCCC1)C2 ZINC001549181350 958249459 /nfs/dbraw/zinc/24/94/59/958249459.db2.gz WAQAIHPFKRMJET-JQWIXIFHSA-N -1 0 304.368 -0.250 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCC1 ZINC001549229663 958262035 /nfs/dbraw/zinc/26/20/35/958262035.db2.gz QCICQZPVVABIRH-CABZTGNLSA-N -1 0 317.363 -0.487 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000094221006 958267858 /nfs/dbraw/zinc/26/78/58/958267858.db2.gz YRLHVJFKVXGDCD-LLVKDONJSA-N -1 0 303.340 -0.344 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549304338 958277957 /nfs/dbraw/zinc/27/79/57/958277957.db2.gz AKBFEXFQAWASGG-BONVTDFDSA-N -1 0 320.349 -0.205 20 0 DBADRM Cc1ccc(-c2nnn(CC(=O)OCC(=O)C(=O)[O-])n2)cc1 ZINC001594337461 958278373 /nfs/dbraw/zinc/27/83/73/958278373.db2.gz YJDMGSFPRMZXHH-UHFFFAOYSA-N -1 0 304.262 -0.155 20 0 DBADRM CCN1C[C@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1=O ZINC001552396788 958308542 /nfs/dbraw/zinc/30/85/42/958308542.db2.gz BINVXKOAYHHHLK-RBZYPMLTSA-N -1 0 311.338 -0.650 20 0 DBADRM COc1ccc(C(=O)CCC(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000096767976 958341296 /nfs/dbraw/zinc/34/12/96/958341296.db2.gz AKQPUDIJXDENSD-UHFFFAOYSA-N -1 0 322.317 -0.025 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCC(=O)N2CCCCC2)nn1 ZINC000391494440 972341822 /nfs/dbraw/zinc/34/18/22/972341822.db2.gz CCYGRYGDMRHCOF-UHFFFAOYSA-N -1 0 324.341 -0.712 20 0 DBADRM C[C@@H]1CN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC000111259552 958419900 /nfs/dbraw/zinc/41/99/00/958419900.db2.gz UIQJBTYGTIFQHP-OPRDCNLKSA-N -1 0 304.368 -0.122 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC000111262002 958421498 /nfs/dbraw/zinc/42/14/98/958421498.db2.gz VJSVRFOIFXFNNK-KXUCPTDWSA-N -1 0 304.368 -0.217 20 0 DBADRM Cc1ccc(CCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC001594357576 958422521 /nfs/dbraw/zinc/42/25/21/958422521.db2.gz RWMAPDARFXDTHU-LBPRGKRZSA-N -1 0 321.333 -0.639 20 0 DBADRM Cc1ccc(CNC(=O)NCC(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC001594361619 958455917 /nfs/dbraw/zinc/45/59/17/958455917.db2.gz SFTZZMNFPODVKH-HNNXBMFYSA-N -1 0 323.349 -0.254 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCSC1 ZINC000124614811 958539337 /nfs/dbraw/zinc/53/93/37/958539337.db2.gz VEGFZIRZCKODCR-RKDXNWHRSA-N -1 0 307.393 -0.160 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cncc(O)c1 ZINC000125929997 958572678 /nfs/dbraw/zinc/57/26/78/958572678.db2.gz SJBNHMQVTXESMF-SECBINFHSA-N -1 0 314.319 -0.499 20 0 DBADRM CC[C@H](C)NC(=O)[C@@H](C)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000126303367 958586292 /nfs/dbraw/zinc/58/62/92/958586292.db2.gz SZWMKMTUXWNBST-AXFHLTTASA-N -1 0 320.411 -0.137 20 0 DBADRM CC(C)CNC(=O)NC(=O)CN1CCOC[C@@H]1CC(=O)[O-] ZINC000129954129 958724551 /nfs/dbraw/zinc/72/45/51/958724551.db2.gz AYMXRZLRHHAZHJ-JTQLQIEISA-N -1 0 301.343 -0.356 20 0 DBADRM CC(C)(C)NC(=O)NC(=O)CN1CCOC[C@@H]1CC(=O)[O-] ZINC000129949535 958724569 /nfs/dbraw/zinc/72/45/69/958724569.db2.gz KUQHIICWQGXRFF-VIFPVBQESA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCOC[C@@H]2CC(=O)[O-])C[C@H](C)O1 ZINC000130008592 958724975 /nfs/dbraw/zinc/72/49/75/958724975.db2.gz NBCLLPUXMISOBY-TUAOUCFPSA-N -1 0 300.355 -0.202 20 0 DBADRM NS(=O)(=O)CCNC(=O)NCc1ccccc1CC(=O)[O-] ZINC000133142277 958813067 /nfs/dbraw/zinc/81/30/67/958813067.db2.gz UMXQNDFBXZTUME-UHFFFAOYSA-N -1 0 315.351 -0.599 20 0 DBADRM NC(=O)[C@H]1CCCN(S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000134661778 958845904 /nfs/dbraw/zinc/84/59/04/958845904.db2.gz ICEFIUJBVSRVMA-LURJTMIESA-N -1 0 319.364 -0.273 20 0 DBADRM CN1CCN(S(=O)(=O)c2scnc2C(=O)[O-])CC1=O ZINC000134716204 958856586 /nfs/dbraw/zinc/85/65/86/958856586.db2.gz ZEBRMAQCQNUUOM-UHFFFAOYSA-N -1 0 305.337 -0.696 20 0 DBADRM C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134727009 958859016 /nfs/dbraw/zinc/85/90/16/958859016.db2.gz DHVCWYLKBQOIHW-RNFRBKRXSA-N -1 0 322.364 -0.388 20 0 DBADRM C[C@@H](NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1)C(N)=O ZINC000135796861 958892400 /nfs/dbraw/zinc/89/24/00/958892400.db2.gz HKLHNRQOJOBYOD-MRVPVSSYSA-N -1 0 312.347 -0.045 20 0 DBADRM O=C(CSCC(=O)N1CCOCC1)NC1(C(=O)[O-])CCC1 ZINC000164818884 959264185 /nfs/dbraw/zinc/26/41/85/959264185.db2.gz NBYQLTZRPHNJPQ-UHFFFAOYSA-N -1 0 316.379 -0.298 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@@H](O)[C@H](C)C2)c1C(=O)[O-] ZINC000166131752 959300139 /nfs/dbraw/zinc/30/01/39/959300139.db2.gz WPAOJMTYMOXMLB-HTRCEHHLSA-N -1 0 303.340 -0.192 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000166139288 959300915 /nfs/dbraw/zinc/30/09/15/959300915.db2.gz KENDIDRXULFBBH-SECBINFHSA-N -1 0 301.343 -0.308 20 0 DBADRM COC[C@@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000167310889 959340966 /nfs/dbraw/zinc/34/09/66/959340966.db2.gz IHBARIXAJTWAAG-HTQZYQBOSA-N -1 0 311.381 -0.878 20 0 DBADRM O=C([O-])C1(CNC(=O)[C@@H]2CCCCS2(=O)=O)CCOCC1 ZINC000167987447 959370803 /nfs/dbraw/zinc/37/08/03/959370803.db2.gz HAWGWQMNORLYQU-JTQLQIEISA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000210729996 959677452 /nfs/dbraw/zinc/67/74/52/959677452.db2.gz WTIYNHRPNUEBJO-VHSXEESVSA-N -1 0 305.290 -0.603 20 0 DBADRM CCN(C)C(=O)CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000218091055 959783224 /nfs/dbraw/zinc/78/32/24/959783224.db2.gz YFSIQGWYJXOQHJ-UHFFFAOYSA-N -1 0 315.351 -0.078 20 0 DBADRM CNC(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000223702204 959840388 /nfs/dbraw/zinc/84/03/88/959840388.db2.gz PSYVRXBACBMHKF-UHFFFAOYSA-N -1 0 316.335 -0.192 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NCCN1CC=CC1 ZINC000392283284 972464046 /nfs/dbraw/zinc/46/40/46/972464046.db2.gz VLFJVVSZXGGCPT-UHFFFAOYSA-N -1 0 303.365 -0.009 20 0 DBADRM O=C([O-])c1csc(S(=O)(=O)NC[C@@]2(O)CCOC2)c1 ZINC000227114950 959921434 /nfs/dbraw/zinc/92/14/34/959921434.db2.gz UDQIXMGMZNTZGE-JTQLQIEISA-N -1 0 307.349 -0.124 20 0 DBADRM C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000227116396 959922423 /nfs/dbraw/zinc/92/24/23/959922423.db2.gz WJCQPWSXIOTKMR-CPCISQLKSA-N -1 0 305.308 -0.204 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC(O)(C3CC3)C2)cc1C(=O)[O-] ZINC000227249602 959937423 /nfs/dbraw/zinc/93/74/23/959937423.db2.gz CYMPNWZBHKMIMK-UHFFFAOYSA-N -1 0 300.336 -0.131 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)COCC(F)(F)F)C2)nn1 ZINC000227348994 959942784 /nfs/dbraw/zinc/94/27/84/959942784.db2.gz PAQJXJCXDKRFIL-UHFFFAOYSA-N -1 0 308.216 -0.062 20 0 DBADRM CC(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000228925731 960047137 /nfs/dbraw/zinc/04/71/37/960047137.db2.gz CCXOSEYMTPQAEL-MRVPVSSYSA-N -1 0 317.367 -0.085 20 0 DBADRM O=C([O-])COc1ccc(S(=O)(=O)N[C@@H]2CNC(=O)C2)cc1 ZINC000229021583 960052807 /nfs/dbraw/zinc/05/28/07/960052807.db2.gz MWVFULXBPFFIBJ-QMMMGPOBSA-N -1 0 314.319 -0.683 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000229031645 960053988 /nfs/dbraw/zinc/05/39/88/960053988.db2.gz CYMVGFZIFXWPJT-LLVKDONJSA-N -1 0 303.336 -0.189 20 0 DBADRM COC[C@H](O)CCNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000230132080 960128638 /nfs/dbraw/zinc/12/86/38/960128638.db2.gz VMBUBMBWSXTFNG-ZCFIWIBFSA-N -1 0 310.353 -0.483 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@H](C)[C@@H](O)C2)c1C(=O)[O-] ZINC000230232827 960133173 /nfs/dbraw/zinc/13/31/73/960133173.db2.gz WTGXAQMDVOISMS-XPUUQOCRSA-N -1 0 303.340 -0.192 20 0 DBADRM CC(C)[C@@H](NS(=O)(=O)c1scnc1C(=O)[O-])C(N)=O ZINC000231035062 960185103 /nfs/dbraw/zinc/18/51/03/960185103.db2.gz UGHREDRJWNPFBN-RXMQYKEDSA-N -1 0 307.353 -0.371 20 0 DBADRM CC(C)[C@@H](CCO)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000231070726 960186730 /nfs/dbraw/zinc/18/67/30/960186730.db2.gz WZMDOCLAERCPIA-SNVBAGLBSA-N -1 0 305.356 -0.347 20 0 DBADRM CC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000234012724 960336718 /nfs/dbraw/zinc/33/67/18/960336718.db2.gz VOFUUPUNMHELTO-XKSSXDPKSA-N -1 0 322.383 -0.706 20 0 DBADRM C[C@@H]1CN(C(=O)NC[C@H]2CCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC000235351921 960418384 /nfs/dbraw/zinc/41/83/84/960418384.db2.gz VJSVRFOIFXFNNK-OPRDCNLKSA-N -1 0 304.368 -0.217 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)NC[C@H](O)C(F)(F)F)cn1 ZINC000236525223 960699995 /nfs/dbraw/zinc/69/99/95/960699995.db2.gz IXOONVHYPPQYCP-LURJTMIESA-N -1 0 317.245 -0.831 20 0 DBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)cc1 ZINC000236599775 960715863 /nfs/dbraw/zinc/71/58/63/960715863.db2.gz SHAAPDMHLZTTQX-QWRGUYRKSA-N -1 0 301.320 -0.960 20 0 DBADRM Cc1coc(C(=O)NC2(CCO)CN(Cc3n[nH]c(=O)[n-]3)C2)c1 ZINC001485414467 1013211882 /nfs/dbraw/zinc/21/18/82/1013211882.db2.gz OUKPGQNRMDYDMV-UHFFFAOYSA-N -1 0 321.337 -0.221 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCC(=O)N=S(C)(C)=O ZINC001571077251 960968902 /nfs/dbraw/zinc/96/89/02/960968902.db2.gz YFBHZLOHFFWUAT-UHFFFAOYSA-N -1 0 302.312 -0.898 20 0 DBADRM COC(=O)[C@H](COC1CCC1)N(C)C(=O)COCC(=O)[O-] ZINC001571080278 960993929 /nfs/dbraw/zinc/99/39/29/960993929.db2.gz PPCYPXCKQMAQBX-JTQLQIEISA-N -1 0 303.311 -0.343 20 0 DBADRM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)Cn1nc2ccccn2c1=O ZINC000238113091 961102302 /nfs/dbraw/zinc/10/23/02/961102302.db2.gz GRJXGQJZQAJYRB-UWVGGRQHSA-N -1 0 304.306 -0.135 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000251590580 961253233 /nfs/dbraw/zinc/25/32/33/961253233.db2.gz ZIGZCHVZMVDREN-UWVGGRQHSA-N -1 0 304.368 -0.771 20 0 DBADRM CC[C@H](C)N(CC(=O)[O-])CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000252434558 961269320 /nfs/dbraw/zinc/26/93/20/961269320.db2.gz ZZVLFAVXLOVXFC-UWVGGRQHSA-N -1 0 306.384 -0.525 20 0 DBADRM COC(=O)[C@@H](CNC(=O)COCC(=O)[O-])Cc1ccncc1 ZINC001571106138 961271894 /nfs/dbraw/zinc/27/18/94/961271894.db2.gz FRQOOBZOUBYXHT-LLVKDONJSA-N -1 0 310.306 -0.369 20 0 DBADRM Cc1oc(CNC(=O)CN2CCCS2(=O)=O)cc1C(=O)[O-] ZINC000262065162 961427135 /nfs/dbraw/zinc/42/71/35/961427135.db2.gz HSVMSPYRKHYWHN-UHFFFAOYSA-N -1 0 316.335 -0.062 20 0 DBADRM C[C@@H](NC(=O)CCc1cn[nH]c1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001485526872 1013261991 /nfs/dbraw/zinc/26/19/91/1013261991.db2.gz OILIZIVBKGRFBQ-SECBINFHSA-N -1 0 319.369 -0.197 20 0 DBADRM CN1CCN(CC(=O)N[C@H](CC2CCOCC2)C(=O)[O-])CC1 ZINC001598616411 1017349322 /nfs/dbraw/zinc/34/93/22/1017349322.db2.gz SZTZFAQYHBWTPZ-CYBMUJFWSA-N -1 0 313.398 -0.380 20 0 DBADRM CC(C)(C)n1cc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])nn1 ZINC001571131483 961557895 /nfs/dbraw/zinc/55/78/95/961557895.db2.gz ICVOZCIJDZFFQA-JTQLQIEISA-N -1 0 316.383 -0.283 20 0 DBADRM CCOC(=O)C1([C@@H](C)NC(=O)COCC(=O)[O-])CCOCC1 ZINC001571133151 961583541 /nfs/dbraw/zinc/58/35/41/961583541.db2.gz KXTCNMOTFARIMD-SNVBAGLBSA-N -1 0 317.338 -0.048 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001571133334 961586862 /nfs/dbraw/zinc/58/68/62/961586862.db2.gz OAHNDUDMGMCOTC-LLVKDONJSA-N -1 0 317.338 -0.217 20 0 DBADRM Cn1ncc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1Cl ZINC001574467783 961591365 /nfs/dbraw/zinc/59/13/65/961591365.db2.gz PQDIDNYGMWJJPV-SSDOTTSWSA-N -1 0 321.742 -0.603 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@@]1(F)CCS(=O)(=O)C1)C(=O)[O-] ZINC001574472307 961604666 /nfs/dbraw/zinc/60/46/66/961604666.db2.gz MEUUEMLBWGBBGV-LDYMZIIASA-N -1 0 319.314 -0.811 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@@H](C(=O)[O-])O1 ZINC000262287324 961620063 /nfs/dbraw/zinc/62/00/63/961620063.db2.gz ZTGCNSCZRRSDBW-SKDRFNHKSA-N -1 0 322.317 -0.135 20 0 DBADRM CCS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@H](C)C1 ZINC001571138364 961637518 /nfs/dbraw/zinc/63/75/18/961637518.db2.gz YBYHYWNXUKTMBN-OUAUKWLOSA-N -1 0 318.395 -0.020 20 0 DBADRM CN(C)S(=O)(=O)N1CC(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001571144370 961706819 /nfs/dbraw/zinc/70/68/19/961706819.db2.gz KIGRECJFYHRLLZ-DTWKUNHWSA-N -1 0 319.383 -0.906 20 0 DBADRM Cc1nn(CCS(=O)(=O)NCCC(C)(C)C(=O)[O-])c(=O)o1 ZINC001571150568 961799533 /nfs/dbraw/zinc/79/95/33/961799533.db2.gz JSVJTXOABWUVJE-UHFFFAOYSA-N -1 0 321.355 -0.435 20 0 DBADRM CN(C)C(=O)Cn1cnc(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC001571165287 961991021 /nfs/dbraw/zinc/99/10/21/961991021.db2.gz KXVCEEVIGOWDLZ-BDAKNGLRSA-N -1 0 324.341 -0.259 20 0 DBADRM C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC001571166204 961999404 /nfs/dbraw/zinc/99/94/04/961999404.db2.gz UDPHFDIEUCZPIX-UWVGGRQHSA-N -1 0 324.341 -0.966 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000263090400 962238237 /nfs/dbraw/zinc/23/82/37/962238237.db2.gz ZYHOJOWMOUTRLT-SNVBAGLBSA-N -1 0 318.326 -0.106 20 0 DBADRM CN1CCO[C@H](C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)C1=O ZINC001598626497 1017357620 /nfs/dbraw/zinc/35/76/20/1017357620.db2.gz YOGBMDJGMNLLBT-IAQYHMDHSA-N -1 0 306.318 -0.040 20 0 DBADRM Cc1noc(CN(C)C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC001351685678 962615073 /nfs/dbraw/zinc/61/50/73/962615073.db2.gz TYKDZARWOVLRRG-WCBMZHEXSA-N -1 0 324.337 -0.094 20 0 DBADRM COC[C@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)OC ZINC000300585281 963019691 /nfs/dbraw/zinc/01/96/91/963019691.db2.gz XZCXTHVFPONIBU-JTQLQIEISA-N -1 0 310.372 -0.721 20 0 DBADRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000311491794 963483298 /nfs/dbraw/zinc/48/32/98/963483298.db2.gz JUCLLDOXSGSWTM-WDSKDSINSA-N -1 0 303.258 -0.057 20 0 DBADRM COc1ncc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])s1 ZINC000311545352 963489681 /nfs/dbraw/zinc/48/96/81/963489681.db2.gz HVDIUUYUFHPBPK-ZCFIWIBFSA-N -1 0 308.337 -0.374 20 0 DBADRM CN(C(=O)NCC(F)(F)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000311661931 963501763 /nfs/dbraw/zinc/50/17/63/963501763.db2.gz NYQYNTPXBNIJLO-ZCFIWIBFSA-N -1 0 300.283 -0.465 20 0 DBADRM C[C@@](CO)(NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)[O-] ZINC000313512484 963654412 /nfs/dbraw/zinc/65/44/12/963654412.db2.gz UGIYVNJATXFJEP-LBPRGKRZSA-N -1 0 316.335 -0.377 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC(O)(CO)CC2)cs1 ZINC000313639795 963673210 /nfs/dbraw/zinc/67/32/10/963673210.db2.gz XJPSNBLBTLTLGW-UHFFFAOYSA-N -1 0 321.376 -0.046 20 0 DBADRM CN1CC(=O)N(CC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])C1=O ZINC000313933451 963692486 /nfs/dbraw/zinc/69/24/86/963692486.db2.gz NBRYTWJDYWQGLG-YFKPBYRVSA-N -1 0 311.216 -0.598 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000313939977 963693391 /nfs/dbraw/zinc/69/33/91/963693391.db2.gz IGDNGOFLGHHSIY-VIFPVBQESA-N -1 0 321.282 -0.664 20 0 DBADRM C[C@H](O)CN(CCO)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000313984240 963697435 /nfs/dbraw/zinc/69/74/35/963697435.db2.gz WLCPTLWROPWHMP-QMMMGPOBSA-N -1 0 321.326 -0.112 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N(C)[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000314009855 963699953 /nfs/dbraw/zinc/69/99/53/963699953.db2.gz QOKBGKRGZXGFLT-SECBINFHSA-N -1 0 314.367 -0.047 20 0 DBADRM Cn1cnnc1CCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000314097860 963710282 /nfs/dbraw/zinc/71/02/82/963710282.db2.gz BEWHGCXJDYXVHD-UHFFFAOYSA-N -1 0 313.339 -0.248 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000314166285 963719169 /nfs/dbraw/zinc/71/91/69/963719169.db2.gz BEVMRGPWKMVCCP-NSHDSACASA-N -1 0 305.290 -0.503 20 0 DBADRM CNC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCO1 ZINC001598638200 1017363546 /nfs/dbraw/zinc/36/35/46/1017363546.db2.gz VYKJBPAFFIRCSV-YCWTYVPXSA-N -1 0 311.338 -0.604 20 0 DBADRM CCCN(CC(=O)NC)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000314411736 963750089 /nfs/dbraw/zinc/75/00/89/963750089.db2.gz AOZWRMNUHMIEJC-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM NS(=O)(=O)c1ccc(NC2COCCOC2)c(C(=O)[O-])c1 ZINC000314491551 963760336 /nfs/dbraw/zinc/76/03/36/963760336.db2.gz IOZLUMKPYLGEAT-UHFFFAOYSA-N -1 0 316.335 -0.141 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000314740566 963801896 /nfs/dbraw/zinc/80/18/96/963801896.db2.gz OHGWKFOWHGDNRX-NEPJUHHUSA-N -1 0 311.382 -0.232 20 0 DBADRM Cc1oc(CNC(=O)Cn2ccc(=O)[nH]c2=O)cc1C(=O)[O-] ZINC000314760358 963805266 /nfs/dbraw/zinc/80/52/66/963805266.db2.gz QVQDHDDIZUSVRZ-UHFFFAOYSA-N -1 0 307.262 -0.135 20 0 DBADRM COCC[C@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000314825365 963817132 /nfs/dbraw/zinc/81/71/32/963817132.db2.gz RDOJPGVYXQSIQC-LBPRGKRZSA-N -1 0 318.351 -0.154 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@@H]1c1nncn1C ZINC000315019176 963845667 /nfs/dbraw/zinc/84/56/67/963845667.db2.gz FHSZGFSMSOQPFN-SECBINFHSA-N -1 0 317.371 -0.397 20 0 DBADRM Cn1c(=O)ccn(CC(=O)N2CCCCC[C@H]2C(=O)[O-])c1=O ZINC000315298541 963876623 /nfs/dbraw/zinc/87/66/23/963876623.db2.gz QVQSQTFYUGSXAM-JTQLQIEISA-N -1 0 309.322 -0.597 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000315323625 963881707 /nfs/dbraw/zinc/88/17/07/963881707.db2.gz BXIBJCIIAMUDKQ-RKDXNWHRSA-N -1 0 313.354 -0.661 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315425273 963899212 /nfs/dbraw/zinc/89/92/12/963899212.db2.gz OLDDPEIQTLLVNT-ZCFIWIBFSA-N -1 0 324.336 -0.820 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000315488514 963908262 /nfs/dbraw/zinc/90/82/62/963908262.db2.gz WTZYETJCBZPXBP-SNVBAGLBSA-N -1 0 303.278 -0.627 20 0 DBADRM CCOC(=O)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315496819 963909086 /nfs/dbraw/zinc/90/90/86/963909086.db2.gz XOXAZQFJRFCWMX-UHFFFAOYSA-N -1 0 306.296 -0.054 20 0 DBADRM Cc1nnc(CNS(=O)(=O)c2cc(C(=O)[O-])no2)n1C ZINC000315672052 963924364 /nfs/dbraw/zinc/92/43/64/963924364.db2.gz URSUFDUXRHRNRK-UHFFFAOYSA-N -1 0 301.284 -0.712 20 0 DBADRM Cn1cc([N+](=O)[O-])cc1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000315691566 963926841 /nfs/dbraw/zinc/92/68/41/963926841.db2.gz CUOGNIFLOBIJRS-UHFFFAOYSA-N -1 0 308.254 -0.347 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC(OCCO)CC2)on1 ZINC000315875069 963946143 /nfs/dbraw/zinc/94/61/43/963946143.db2.gz ZHIOGFUOYYERQG-UHFFFAOYSA-N -1 0 320.323 -0.465 20 0 DBADRM NC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC000315940823 963955911 /nfs/dbraw/zinc/95/59/11/963955911.db2.gz IVXYIFDMYCSJGS-UHFFFAOYSA-N -1 0 303.296 -0.741 20 0 DBADRM CN1CC(=O)N(CC(=O)NCc2ccc(C(=O)[O-])nc2)C1=O ZINC000316326743 964003206 /nfs/dbraw/zinc/00/32/06/964003206.db2.gz FDOBKGCUAGYPDZ-UHFFFAOYSA-N -1 0 306.278 -0.710 20 0 DBADRM O=C([O-])c1sccc1S(=O)(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000316387377 964007333 /nfs/dbraw/zinc/00/73/33/964007333.db2.gz KGQLQHBPWYKUAA-RNFRBKRXSA-N -1 0 307.349 -0.580 20 0 DBADRM O=C([O-])c1ccc(F)cc1S(=O)(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000316496326 964017642 /nfs/dbraw/zinc/01/76/42/964017642.db2.gz YTDPRIFEJDQSMT-GMSGAONNSA-N -1 0 319.310 -0.502 20 0 DBADRM COCCn1nc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)ccc1=O ZINC000316534214 964020761 /nfs/dbraw/zinc/02/07/61/964020761.db2.gz WRXDTYIHJRZTRM-ZJUUUORDSA-N -1 0 309.322 -0.127 20 0 DBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000316796506 964056653 /nfs/dbraw/zinc/05/66/53/964056653.db2.gz GSBRWRJFRUWGAW-ONGXEEELSA-N -1 0 315.347 -0.333 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000316868158 964065707 /nfs/dbraw/zinc/06/57/07/964065707.db2.gz ZNPHXSATFAVFBT-VIFPVBQESA-N -1 0 311.294 -0.559 20 0 DBADRM C[C@H](C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)c1cccnc1 ZINC001486052410 1013630919 /nfs/dbraw/zinc/63/09/19/1013630919.db2.gz GUTMUVGMMFBNSC-ONGXEEELSA-N -1 0 320.353 -0.724 20 0 DBADRM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598696387 1017393824 /nfs/dbraw/zinc/39/38/24/1017393824.db2.gz CONWZLRUZMPSGH-ZCFIWIBFSA-N -1 0 315.294 -0.033 20 0 DBADRM COC(=O)[C@H]1CN(Cc2nc(CO)cs2)C[C@H]1C(=O)[O-] ZINC001598828946 1017439026 /nfs/dbraw/zinc/43/90/26/1017439026.db2.gz ZYNFGZZNZQXTIT-BDAKNGLRSA-N -1 0 300.336 -0.059 20 0 DBADRM CO[C@@]1(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)CCOC1 ZINC001599090966 1017511774 /nfs/dbraw/zinc/51/17/74/1017511774.db2.gz WIGZKMXDGDOUOM-GFCCVEGCSA-N -1 0 307.368 -0.034 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001599164389 1017536412 /nfs/dbraw/zinc/53/64/12/1017536412.db2.gz JHVVBNDEUYGZMF-SNVBAGLBSA-N -1 0 303.336 -0.189 20 0 DBADRM COC[C@@H](CS(=O)(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)OC ZINC001599165643 1017536433 /nfs/dbraw/zinc/53/64/33/1017536433.db2.gz IIQAAYIZBOVRKT-GUBZILKMSA-N -1 0 311.356 -0.849 20 0 DBADRM COC[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC001599167889 1017539057 /nfs/dbraw/zinc/53/90/57/1017539057.db2.gz VQGQYNFJMGIAHD-YUMQZZPRSA-N -1 0 310.372 -0.834 20 0 DBADRM COCCOCCCNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599250714 1017572741 /nfs/dbraw/zinc/57/27/41/1017572741.db2.gz RMMAXCZSVRGYMZ-MNOVXSKESA-N -1 0 304.343 -0.077 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1S(=O)(=O)CC1CCOCC1 ZINC001601753576 1017871772 /nfs/dbraw/zinc/87/17/72/1017871772.db2.gz MDNWUVZLQXWRRY-MNOVXSKESA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)[C@H]2CCS(=O)(=O)C2)CCCOC1 ZINC001601926146 1017893066 /nfs/dbraw/zinc/89/30/66/1017893066.db2.gz FRKYJVNYWMSJPM-CABZTGNLSA-N -1 0 305.352 -0.439 20 0 DBADRM CC(C)N(C[C@H](O)CO)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001603876119 1018256223 /nfs/dbraw/zinc/25/62/23/1018256223.db2.gz SQYROAYWYWLJAY-NSHDSACASA-N -1 0 324.399 -0.909 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001604869735 1018470635 /nfs/dbraw/zinc/47/06/35/1018470635.db2.gz XHXWYQLXOCGFCU-GHMZBOCLSA-N -1 0 320.411 -0.326 20 0 DBADRM CCCn1cc(C(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001596111758 1017112127 /nfs/dbraw/zinc/11/21/27/1017112127.db2.gz DQTCLCBQIGXPST-IUCAKERBSA-N -1 0 309.326 -0.745 20 0 DBADRM CCCC1N=NC(=S)N1CC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001596095656 1017112169 /nfs/dbraw/zinc/11/21/69/1017112169.db2.gz PELQFZNPMDULIS-UHFFFAOYSA-N -1 0 300.340 -0.823 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cn1 ZINC000038030238 967516178 /nfs/dbraw/zinc/51/61/78/967516178.db2.gz YETPZIUCUQUQLK-MRVPVSSYSA-N -1 0 301.324 -0.269 20 0 DBADRM NS(=O)(=O)c1ccc(CNC(=O)COCC(=O)[O-])cc1 ZINC000041072786 967520341 /nfs/dbraw/zinc/52/03/41/967520341.db2.gz VWOSSGPYZKBASG-UHFFFAOYSA-N -1 0 302.308 -0.949 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000079487112 967560882 /nfs/dbraw/zinc/56/08/82/967560882.db2.gz SSDRZTRNIVYDNZ-SKDRFNHKSA-N -1 0 304.368 -0.771 20 0 DBADRM C[C@](O)(CNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000090276745 967588069 /nfs/dbraw/zinc/58/80/69/967588069.db2.gz DUFYTUAWPYQHOV-LBPRGKRZSA-N -1 0 317.319 -0.428 20 0 DBADRM O=C([O-])CSCC(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000128331285 967623263 /nfs/dbraw/zinc/62/32/63/967623263.db2.gz KTTBBJCNPIJDNL-NSHDSACASA-N -1 0 301.324 -0.995 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC[C@@H]1O ZINC000166126653 967670271 /nfs/dbraw/zinc/67/02/71/967670271.db2.gz XSVZTEGXJLNPOK-KOLCDFICSA-N -1 0 306.384 -0.270 20 0 DBADRM CC(=O)NCC1CCN(C(=O)NCCOCC(=O)[O-])CC1 ZINC000226312729 967704067 /nfs/dbraw/zinc/70/40/67/967704067.db2.gz SUUAUULNGWMYDI-UHFFFAOYSA-N -1 0 301.343 -0.355 20 0 DBADRM CN(C)CCN(CC(=O)[O-])C(=O)[C@H]1CCCCS1(=O)=O ZINC000230736828 967726650 /nfs/dbraw/zinc/72/66/50/967726650.db2.gz GFJHWAOHPBNCSL-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM O=C([O-])C[C@@H]1CCCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000251099854 967793608 /nfs/dbraw/zinc/79/36/08/967793608.db2.gz JVACGICAHSFRHR-QWRGUYRKSA-N -1 0 318.395 -0.524 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000312779154 967956336 /nfs/dbraw/zinc/95/63/36/967956336.db2.gz MYHPVNJMMKNULP-SECBINFHSA-N -1 0 307.372 -0.904 20 0 DBADRM O=C([O-])Cn1cc(NC(=O)c2cnc3n(c2=O)CCS3)cn1 ZINC000314764651 967968785 /nfs/dbraw/zinc/96/87/85/967968785.db2.gz VVAVFQUJJTYHTO-UHFFFAOYSA-N -1 0 321.318 -0.118 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)CS(C)(=O)=O)C1 ZINC000315109075 967971983 /nfs/dbraw/zinc/97/19/83/967971983.db2.gz ISDKIMBKZJANQU-JOYOIKCWSA-N -1 0 322.383 -0.448 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCN(CC(F)(F)F)CC2)nn1 ZINC000317025288 967983132 /nfs/dbraw/zinc/98/31/32/967983132.db2.gz ULPOQFQCXPSHLF-UHFFFAOYSA-N -1 0 321.259 -0.317 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC000319403085 967999526 /nfs/dbraw/zinc/99/95/26/967999526.db2.gz ZPDURRPLQPILBN-CQSZACIVSA-N -1 0 312.322 -0.525 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000389919477 968172126 /nfs/dbraw/zinc/17/21/26/968172126.db2.gz FAOTYJHRWDMVFW-OAHLLOKOSA-N -1 0 323.349 -0.350 20 0 DBADRM CC(C)[C@H](C(=O)O[C@@H](C)C(=O)C(=O)[O-])N1CCCS1(=O)=O ZINC001609790495 1019563700 /nfs/dbraw/zinc/56/37/00/1019563700.db2.gz GXRBZTMUOWXNFF-DTWKUNHWSA-N -1 0 321.351 -0.368 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)C1=CCCC1 ZINC001486330937 1013815966 /nfs/dbraw/zinc/81/59/66/1013815966.db2.gz KGSBDOOIFBRXOJ-LLVKDONJSA-N -1 0 309.370 -0.128 20 0 DBADRM Cc1cnoc1C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001486352933 1013827214 /nfs/dbraw/zinc/82/72/14/1013827214.db2.gz QGRTUPREQQIGRL-VIFPVBQESA-N -1 0 324.341 -0.628 20 0 DBADRM C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H](C)NC(=O)C(F)F ZINC001486628744 1013865223 /nfs/dbraw/zinc/86/52/23/1013865223.db2.gz YFAQGRBXIISIEV-WDSKDSINSA-N -1 0 318.280 -0.626 20 0 DBADRM CCC(=O)N[C@H](C)[C@@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001486624210 1013865638 /nfs/dbraw/zinc/86/56/38/1013865638.db2.gz MQNQPNLVFKKGRF-RKDXNWHRSA-N -1 0 313.358 -0.111 20 0 DBADRM COCC(=O)NC[C@@H](C)N(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001486784772 1013880618 /nfs/dbraw/zinc/88/06/18/1013880618.db2.gz CSMHMCGHAUNHFU-SECBINFHSA-N -1 0 321.337 -0.754 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)CNC(=O)C2=COCCO2)c1[O-] ZINC001486793785 1013882605 /nfs/dbraw/zinc/88/26/05/1013882605.db2.gz FIAOKGZWIASWQW-QMMMGPOBSA-N -1 0 324.337 -0.111 20 0 DBADRM C/C=C(\C)C(=O)N(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001486940749 1013904311 /nfs/dbraw/zinc/90/43/11/1013904311.db2.gz MIUOFRMPRCXATH-IVGLGHLBSA-N -1 0 309.326 -0.174 20 0 DBADRM CC(C)(NS(=O)(=O)CCOCC1CCC1)[C@H](O)C(=O)[O-] ZINC001590874658 1021597767 /nfs/dbraw/zinc/59/77/67/1021597767.db2.gz KULUVAJCKRBTQA-SNVBAGLBSA-N -1 0 309.384 -0.053 20 0 DBADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000317074079 970324158 /nfs/dbraw/zinc/32/41/58/970324158.db2.gz HBDYAJCZRIYZJR-SECBINFHSA-N -1 0 311.338 -0.112 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@@H]2CNC(=O)C2)c1 ZINC001606556025 970342226 /nfs/dbraw/zinc/34/22/26/970342226.db2.gz RGZVXWYCOJDZIK-QMMMGPOBSA-N -1 0 305.290 -0.424 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 ZINC001606556646 970344507 /nfs/dbraw/zinc/34/45/07/970344507.db2.gz ZNCBSNNYVYIKOO-SDBXPKJASA-N -1 0 303.278 -0.703 20 0 DBADRM COc1c(C(=O)NCC(=O)NCC(=O)[O-])cccc1[N+](=O)[O-] ZINC000317517019 970367012 /nfs/dbraw/zinc/36/70/12/970367012.db2.gz HBJGAYYGLOIHFB-UHFFFAOYSA-N -1 0 311.250 -0.466 20 0 DBADRM CN1C(=O)CC[C@H](NC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1=O ZINC000317780472 970386974 /nfs/dbraw/zinc/38/69/74/970386974.db2.gz XHHWAQWTMNYWNG-BDAKNGLRSA-N -1 0 313.310 -0.981 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CN1CCCCCC1=O)C(=O)[O-] ZINC000317992643 970403239 /nfs/dbraw/zinc/40/32/39/970403239.db2.gz SLLGKSNYVNOULG-SNVBAGLBSA-N -1 0 314.338 -0.088 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)c1cnn2ccncc12 ZINC000318297294 970423815 /nfs/dbraw/zinc/42/38/15/970423815.db2.gz OQGJHCIUBMKAKW-SNVBAGLBSA-N -1 0 300.278 -0.122 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC000318424877 970432640 /nfs/dbraw/zinc/43/26/40/970432640.db2.gz OUVNMUMELCMPFP-RKDXNWHRSA-N -1 0 315.326 -0.700 20 0 DBADRM CCC(=O)N(C)[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001487624898 1014012058 /nfs/dbraw/zinc/01/20/58/1014012058.db2.gz IBLRHQJBPNXJMJ-SECBINFHSA-N -1 0 311.342 -0.548 20 0 DBADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC000320647290 970690822 /nfs/dbraw/zinc/69/08/22/970690822.db2.gz WDCBIHFQUNKXGR-JTQLQIEISA-N -1 0 303.274 -0.175 20 0 DBADRM CC(=O)N1CCCN(C(=O)NCCn2cc(C(=O)[O-])nn2)CC1 ZINC000321308719 970760017 /nfs/dbraw/zinc/76/00/17/970760017.db2.gz WLWVUUVJEXHUMA-UHFFFAOYSA-N -1 0 324.341 -0.760 20 0 DBADRM CCN(CC(=O)[O-])C(=O)COCc1ocnc1C(=O)OC ZINC001596215256 1017121029 /nfs/dbraw/zinc/12/10/29/1017121029.db2.gz YJRJRGOBQMAQJO-UHFFFAOYSA-N -1 0 300.267 -0.089 20 0 DBADRM Cn1cc(S(=O)(=O)NCC(=O)NCC2CC2)cc1C(=O)[O-] ZINC000393256052 972577182 /nfs/dbraw/zinc/57/71/82/972577182.db2.gz MOBFEILEYITNSF-UHFFFAOYSA-N -1 0 315.351 -0.472 20 0 DBADRM CC[C@]1(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCOC1 ZINC000393418802 972595098 /nfs/dbraw/zinc/59/50/98/972595098.db2.gz BZFIIXYUYONHHW-NSHDSACASA-N -1 0 303.340 -0.185 20 0 DBADRM CC(CO)(CO)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000393874262 972654680 /nfs/dbraw/zinc/65/46/80/972654680.db2.gz VRGYXKSHLJLBKP-UHFFFAOYSA-N -1 0 321.326 -0.207 20 0 DBADRM Cn1nnc(Br)c1C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000394161575 972678696 /nfs/dbraw/zinc/67/86/96/972678696.db2.gz ZCMRRGVYANUKNW-SECBINFHSA-N -1 0 319.115 -0.449 20 0 DBADRM CC(C)[C@H](CO)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000394172860 972680249 /nfs/dbraw/zinc/68/02/49/972680249.db2.gz AKZCIMSSUCFEBX-VIFPVBQESA-N -1 0 305.356 -0.490 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NCCCn2cncn2)c1 ZINC000394239463 972689904 /nfs/dbraw/zinc/68/99/04/972689904.db2.gz RUGOYORSWXLEHL-UHFFFAOYSA-N -1 0 311.323 -0.260 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001487917880 1014055050 /nfs/dbraw/zinc/05/50/50/1014055050.db2.gz QDSVLOIRSJJLJO-IWSPIJDZSA-N -1 0 323.353 -0.094 20 0 DBADRM CCN(CC)S(=O)(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001596283141 1017122456 /nfs/dbraw/zinc/12/24/56/1017122456.db2.gz JSEXVSDCVSSTCW-SECBINFHSA-N -1 0 310.372 -0.231 20 0 DBADRM CO[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C[C@H]1O ZINC000395850978 972837521 /nfs/dbraw/zinc/83/75/21/972837521.db2.gz MLHXVWDXFCIOBB-NXEZZACHSA-N -1 0 319.310 -0.096 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1CC[C@H]1CCNC1=O ZINC000395949975 972842469 /nfs/dbraw/zinc/84/24/69/972842469.db2.gz YDWCVFVBAZOJIN-ZJUUUORDSA-N -1 0 304.368 -0.914 20 0 DBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001596277785 1017122591 /nfs/dbraw/zinc/12/25/91/1017122591.db2.gz IHBOFPGJTHERCZ-SECBINFHSA-N -1 0 324.424 -0.313 20 0 DBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC000396846358 972944282 /nfs/dbraw/zinc/94/42/82/972944282.db2.gz CCVNMJWLZKLQTF-BDAKNGLRSA-N -1 0 319.335 -0.350 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](CO)C2)o1 ZINC000396871962 972946894 /nfs/dbraw/zinc/94/68/94/972946894.db2.gz GNUMXVYJDJGLIG-SFYZADRCSA-N -1 0 305.308 -0.658 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000397520234 973006953 /nfs/dbraw/zinc/00/69/53/973006953.db2.gz HQLIYHYJAGBJHF-UHFFFAOYSA-N -1 0 316.335 -0.009 20 0 DBADRM CON(C)C(=O)CNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000397536923 973007455 /nfs/dbraw/zinc/00/74/55/973007455.db2.gz QVWHDNSLVJQJIJ-UHFFFAOYSA-N -1 0 308.337 -0.256 20 0 DBADRM C[C@H]1CC[C@@H](CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)O1 ZINC000398127406 973072892 /nfs/dbraw/zinc/07/28/92/973072892.db2.gz JBDMDMWZEUECPN-IUCAKERBSA-N -1 0 303.340 -0.187 20 0 DBADRM O=C([O-])C[C@@H](O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000398283033 973102349 /nfs/dbraw/zinc/10/23/49/973102349.db2.gz XCMVAYLLOYCNRB-SSDOTTSWSA-N -1 0 304.280 -0.291 20 0 DBADRM Cc1ccc(C(=O)NCC(=O)NC[C@H](O)CC(=O)[O-])s1 ZINC000398281748 973102909 /nfs/dbraw/zinc/10/29/09/973102909.db2.gz WFKBNMACEVKBMV-MRVPVSSYSA-N -1 0 300.336 -0.262 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NC[C@H]1CNC(=O)C1 ZINC000398327162 973118465 /nfs/dbraw/zinc/11/84/65/973118465.db2.gz BCDXLSXNLNSDIC-RXMQYKEDSA-N -1 0 305.337 -0.744 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CNC(=O)C2)cc1F ZINC000398374694 973129543 /nfs/dbraw/zinc/12/95/43/973129543.db2.gz RPCXYNAQZHZDJY-SSDOTTSWSA-N -1 0 316.310 -0.062 20 0 DBADRM Cn1cc(S(=O)(=O)NC[C@H]2CNC(=O)C2)cc1C(=O)[O-] ZINC000398424627 973140461 /nfs/dbraw/zinc/14/04/61/973140461.db2.gz WWQMXQLKBBDZEZ-SSDOTTSWSA-N -1 0 301.324 -0.862 20 0 DBADRM C[C@H]1C[C@@H](CO)CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000398742292 973168286 /nfs/dbraw/zinc/16/82/86/973168286.db2.gz MMDPEDQPWZHLEQ-JGVFFNPUSA-N -1 0 303.340 -0.253 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)C(C)(C)F)c1[O-] ZINC001487974553 1014088559 /nfs/dbraw/zinc/08/85/59/1014088559.db2.gz AUTDLESORSIODT-SSDOTTSWSA-N -1 0 302.306 -0.621 20 0 DBADRM CSCCC(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001487974577 1014088742 /nfs/dbraw/zinc/08/87/42/1014088742.db2.gz BCKSGFCAFXRSGA-MRVPVSSYSA-N -1 0 316.383 -0.616 20 0 DBADRM C[C@H]1CC[C@H](O)CN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000399233421 973205048 /nfs/dbraw/zinc/20/50/48/973205048.db2.gz GRERWPGKGZJSPU-ONGXEEELSA-N -1 0 306.384 -0.127 20 0 DBADRM C/C(=C\C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-])C1CC1 ZINC001487977237 1014090060 /nfs/dbraw/zinc/09/00/60/1014090060.db2.gz LSDQDGTYKFWXMC-AYLMVEPYSA-N -1 0 322.365 -0.013 20 0 DBADRM CCN(CC1CCC1)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001596294428 1017123938 /nfs/dbraw/zinc/12/39/38/1017123938.db2.gz ZLZGPHLHWZZBOZ-NWDGAFQWSA-N -1 0 312.366 -0.071 20 0 DBADRM CO[C@@]1(CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCOC1 ZINC001571097135 1025828033 /nfs/dbraw/zinc/82/80/33/1025828033.db2.gz VXDRTDHWHQIHCG-JFGNBEQYSA-N -1 0 307.368 -0.035 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)NCCCN2CCOCC2)C1 ZINC000401787733 973391890 /nfs/dbraw/zinc/39/18/90/973391890.db2.gz LTJBSYZHERIXTP-NWDGAFQWSA-N -1 0 315.370 -0.814 20 0 DBADRM CS(=O)(=O)c1cccnc1N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401850829 973450871 /nfs/dbraw/zinc/45/08/71/973450871.db2.gz ZPTIYKCQSFRWMA-RKDXNWHRSA-N -1 0 300.336 -0.243 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(CC(=O)NC(=O)NC2CCCC2)C1 ZINC000401865824 973465525 /nfs/dbraw/zinc/46/55/25/973465525.db2.gz FWUBPVLVCSDKEK-MWLCHTKSSA-N -1 0 313.354 -0.478 20 0 DBADRM NC(=O)c1ccc(N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000401899392 973504129 /nfs/dbraw/zinc/50/41/29/973504129.db2.gz DNKPFGDULXCISE-IUCAKERBSA-N -1 0 309.278 -0.035 20 0 DBADRM NC(=O)c1ccc(N2C[C@H](O)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000401899389 973504254 /nfs/dbraw/zinc/50/42/54/973504254.db2.gz DNKPFGDULXCISE-DTWKUNHWSA-N -1 0 309.278 -0.035 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)C(C)(C)S(C)(=O)=O)CCO1 ZINC001604541056 973512363 /nfs/dbraw/zinc/51/23/63/973512363.db2.gz FAPJUVHDGCNRHB-LBPRGKRZSA-N -1 0 323.367 -0.862 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000401906784 973516212 /nfs/dbraw/zinc/51/62/12/973516212.db2.gz UKDZSFQWOGRZCO-CHWFTXMASA-N -1 0 322.383 -0.892 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H](C)c2ccnn2C)CCO1 ZINC001604541965 973529015 /nfs/dbraw/zinc/52/90/15/973529015.db2.gz XJGPSWWNHCTCAM-QMTHXVAHSA-N -1 0 311.338 -0.148 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401920711 973535079 /nfs/dbraw/zinc/53/50/79/973535079.db2.gz NGSSJIIKOSUXQJ-UWVGGRQHSA-N -1 0 317.367 -0.507 20 0 DBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401920716 973535234 /nfs/dbraw/zinc/53/52/34/973535234.db2.gz NGSSJIIKOSUXQJ-ZJUUUORDSA-N -1 0 317.367 -0.507 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000401954192 973560727 /nfs/dbraw/zinc/56/07/27/973560727.db2.gz WWJRXVFQDKOYBQ-VHSXEESVSA-N -1 0 320.301 -0.075 20 0 DBADRM Cc1c(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cnn1C ZINC000401967756 973573437 /nfs/dbraw/zinc/57/34/37/973573437.db2.gz HFKVIFZZDCJPJV-BDAKNGLRSA-N -1 0 303.340 -0.815 20 0 DBADRM C[C@@H]1CCCCN1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401969879 973576522 /nfs/dbraw/zinc/57/65/22/973576522.db2.gz KLLFBPLQCFTJJB-MXWKQRLJSA-N -1 0 306.384 -0.127 20 0 DBADRM CC(=O)N1CCC(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)CC1 ZINC000402584214 973626943 /nfs/dbraw/zinc/62/69/43/973626943.db2.gz WDNAWWLZVDEXJS-GFCCVEGCSA-N -1 0 308.338 -0.080 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@H](CC(=O)[O-])c1ccncc1 ZINC001573807680 1026638183 /nfs/dbraw/zinc/63/81/83/1026638183.db2.gz TVLKYFAUUQPEMC-SNVBAGLBSA-N -1 0 315.351 -0.347 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000402600877 973630509 /nfs/dbraw/zinc/63/05/09/973630509.db2.gz NNCGOGHKZQZHJP-LDYMZIIASA-N -1 0 315.351 -0.513 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)N1CC[C@H]([C@@H](F)C(=O)[O-])C1 ZINC001573807345 1026639617 /nfs/dbraw/zinc/63/96/17/1026639617.db2.gz HOZBAFCVPJYQRQ-WCBMZHEXSA-N -1 0 310.347 -0.461 20 0 DBADRM CCS(=O)(=O)CCNC(=O)Nc1ncc(C(=O)[O-])n1C ZINC001573807420 1026639626 /nfs/dbraw/zinc/63/96/26/1026639626.db2.gz KTZUFWPQIDCEFB-UHFFFAOYSA-N -1 0 304.328 -0.326 20 0 DBADRM CN(CCCC(=O)NC1(CS(C)(=O)=O)COC1)C(=O)[O-] ZINC001573870230 1026648391 /nfs/dbraw/zinc/64/83/91/1026648391.db2.gz HRNSFPDBOSZGHB-UHFFFAOYSA-N -1 0 308.356 -0.694 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC(F)(F)[C@H](CO)C1 ZINC000403559919 973678969 /nfs/dbraw/zinc/67/89/69/973678969.db2.gz JRGKPMNZXMXNNM-QMMMGPOBSA-N -1 0 316.326 -0.413 20 0 DBADRM CCN(CCC(=O)NC)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001596300074 1017126915 /nfs/dbraw/zinc/12/69/15/1017126915.db2.gz LKNCUTPCQVLNMY-CQSZACIVSA-N -1 0 313.354 -0.706 20 0 DBADRM CCN(CCC(=O)NC)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001596300294 1017126975 /nfs/dbraw/zinc/12/69/75/1017126975.db2.gz SYMVQTSPOLOETI-UHFFFAOYSA-N -1 0 315.351 -0.074 20 0 DBADRM NS(=O)(=O)CCCNC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC000405410838 973871963 /nfs/dbraw/zinc/87/19/63/973871963.db2.gz ZQSPYRLOVPAORZ-DTWKUNHWSA-N -1 0 307.372 -0.392 20 0 DBADRM C[C@H](CNC(=O)CCCF)NC(=O)c1cnc([O-])n(C)c1=O ZINC001526880378 1014150753 /nfs/dbraw/zinc/15/07/53/1014150753.db2.gz ROQXYHRLXANVAX-MRVPVSSYSA-N -1 0 314.317 -0.530 20 0 DBADRM CC(=O)N1CC[C@@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001527055344 1014172020 /nfs/dbraw/zinc/17/20/20/1014172020.db2.gz UNBUMGFSAYZQKT-JTQLQIEISA-N -1 0 318.337 -0.944 20 0 DBADRM COCCC(C)(C)C(=O)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001488083999 1014202606 /nfs/dbraw/zinc/20/26/06/1014202606.db2.gz OXWYCSKBSZHUNO-SECBINFHSA-N -1 0 313.358 -0.926 20 0 DBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)CC(=O)N=[S@@](C)(=O)N(C)C ZINC001591710924 975588417 /nfs/dbraw/zinc/58/84/17/975588417.db2.gz ANYNMOCZEXTADL-CHNSCGDPSA-N -1 0 323.415 -0.103 20 0 DBADRM CC(C)=CC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001488149561 1014270695 /nfs/dbraw/zinc/27/06/95/1014270695.db2.gz TVTRGTBSPXETEE-UWVGGRQHSA-N -1 0 323.353 -0.239 20 0 DBADRM CCCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001488148286 1014272756 /nfs/dbraw/zinc/27/27/56/1014272756.db2.gz LJEHOQHUIJEVBC-JGVFFNPUSA-N -1 0 309.326 -0.198 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccnn1C ZINC001591720526 975653052 /nfs/dbraw/zinc/65/30/52/975653052.db2.gz PGSXGIKREICIKS-SECBINFHSA-N -1 0 305.356 -0.081 20 0 DBADRM CC(=O)N1CCC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001488264514 1014311308 /nfs/dbraw/zinc/31/13/08/1014311308.db2.gz ODZYIMQWAXDTTL-PSASIEDQSA-N -1 0 323.353 -0.269 20 0 DBADRM CC(=O)N1CCC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001488264516 1014311392 /nfs/dbraw/zinc/31/13/92/1014311392.db2.gz ODZYIMQWAXDTTL-WCBMZHEXSA-N -1 0 323.353 -0.269 20 0 DBADRM CC(=O)N[C@@H]1CC[C@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001488276537 1014314281 /nfs/dbraw/zinc/31/42/81/1014314281.db2.gz JUFGIRICCMRDAE-VHSXEESVSA-N -1 0 323.353 -0.364 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@@H]2COCCO2)c1[O-] ZINC001527940593 1014317277 /nfs/dbraw/zinc/31/72/77/1014317277.db2.gz UPQJNGMSAKYEEX-VIFPVBQESA-N -1 0 312.326 -0.973 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)C[C@H]2CCC(=O)N2)c1[O-] ZINC001528041573 1014343164 /nfs/dbraw/zinc/34/31/64/1014343164.db2.gz JEWFUNIDRIEEBR-SECBINFHSA-N -1 0 323.353 -0.719 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)C2=COCCO2)c1[O-] ZINC001528042531 1014343420 /nfs/dbraw/zinc/34/34/20/1014343420.db2.gz RXYIZLYNXXKASZ-UHFFFAOYSA-N -1 0 310.310 -0.500 20 0 DBADRM Cc1nnc(CC(=O)N(C)CCNC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001528042985 1014343435 /nfs/dbraw/zinc/34/34/35/1014343435.db2.gz XIFNKMSFJAVJRJ-UHFFFAOYSA-N -1 0 322.325 -0.454 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCNC(=O)CC2)ccc1O ZINC000014098028 977395655 /nfs/dbraw/zinc/39/56/55/977395655.db2.gz DWNWACYKDIYFHV-UHFFFAOYSA-N -1 0 314.319 -0.399 20 0 DBADRM COC(=O)CCCO[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000832156799 977405864 /nfs/dbraw/zinc/40/58/64/977405864.db2.gz PGAOOVRBDFRESH-PHIMTYICSA-N -1 0 324.333 -0.061 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2OCC[C@@H]2N1S(=O)(=O)C[C@@H]1CCOC1 ZINC000926596198 977446010 /nfs/dbraw/zinc/44/60/10/977446010.db2.gz LNEYJXCYCUTGQK-YTWAJWBKSA-N -1 0 305.352 -0.331 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)N2[C@@H](C(=O)[O-])C[C@@H]3OCC[C@@H]32)C1 ZINC000926596829 977446061 /nfs/dbraw/zinc/44/60/61/977446061.db2.gz OZXZQBARBSRCCT-YTWAJWBKSA-N -1 0 304.368 -0.111 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)CCO1 ZINC000927949977 977446936 /nfs/dbraw/zinc/44/69/36/977446936.db2.gz KFUQUTURUWJUFK-IRCOFANPSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)Cc2c[nH]cn2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000947758258 977450763 /nfs/dbraw/zinc/45/07/63/977450763.db2.gz KTYJQMFESWUAHY-NXEZZACHSA-N -1 0 319.369 -0.055 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN(C)C(=O)[C@H]2C[C@@H]2C)c1[O-] ZINC001488392453 1014404032 /nfs/dbraw/zinc/40/40/32/1014404032.db2.gz HILNPQAJGPXBMU-SFGNSQDASA-N -1 0 310.354 -0.371 20 0 DBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1COC(=O)N1 ZINC001052353094 977708809 /nfs/dbraw/zinc/70/88/09/977708809.db2.gz XYPRLXDKXGYMET-IUCAKERBSA-N -1 0 324.341 -0.911 20 0 DBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCNC1=O ZINC001052622634 977778711 /nfs/dbraw/zinc/77/87/11/977778711.db2.gz VZCWUASAYHNRTH-ZJUUUORDSA-N -1 0 322.369 -0.883 20 0 DBADRM CCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001053074382 977849224 /nfs/dbraw/zinc/84/92/24/977849224.db2.gz NZLOHJCIENLHCG-JGVFFNPUSA-N -1 0 309.326 -0.483 20 0 DBADRM CCCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C ZINC001053075311 977849278 /nfs/dbraw/zinc/84/92/78/977849278.db2.gz SQRAECUPEOVZCI-DTWKUNHWSA-N -1 0 323.353 -0.093 20 0 DBADRM CCC(=O)NC[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001053116242 977852743 /nfs/dbraw/zinc/85/27/43/977852743.db2.gz VYSATJJDHZOXNK-BDAKNGLRSA-N -1 0 311.342 -0.690 20 0 DBADRM CCC(=O)NC[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C ZINC001053126996 977857642 /nfs/dbraw/zinc/85/76/42/977857642.db2.gz NCTJIQKUQFMFJR-VHSXEESVSA-N -1 0 322.365 -0.280 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053138689 977859399 /nfs/dbraw/zinc/85/93/99/977859399.db2.gz OPWNRYQMMZEEDL-ZJUUUORDSA-N -1 0 307.354 -0.421 20 0 DBADRM O=C(/C=C/C1CC1)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053200043 977881768 /nfs/dbraw/zinc/88/17/68/977881768.db2.gz ADEAFANVBFNTFQ-ONEGZZNKSA-N -1 0 319.365 -0.110 20 0 DBADRM CC(=O)N(CCN(C)C(=O)c1cnc([O-])n(C)c1=O)C(C)C ZINC001488440225 1014444396 /nfs/dbraw/zinc/44/43/96/1014444396.db2.gz JHYPAGUNYURLTD-UHFFFAOYSA-N -1 0 310.354 -0.185 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCC3(CN(CCO)C3)O2)c1[O-] ZINC001053589821 978002227 /nfs/dbraw/zinc/00/22/27/978002227.db2.gz RQTWOTWXZVBLRK-JTQLQIEISA-N -1 0 310.354 -0.621 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCC3(CN(CCCO)C3)O2)c1[O-] ZINC001053589261 978003759 /nfs/dbraw/zinc/00/37/59/978003759.db2.gz DXOHTQMETBHOCJ-LLVKDONJSA-N -1 0 324.381 -0.231 20 0 DBADRM CCC(=O)NC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)(C)C ZINC001488510089 1014451156 /nfs/dbraw/zinc/45/11/56/1014451156.db2.gz IXRQDMPXSKDGRC-QMMMGPOBSA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2COC3(CN(C[C@H](C)O)C3)C2)c1[O-] ZINC001053775103 978065526 /nfs/dbraw/zinc/06/55/26/978065526.db2.gz QEEGFOLCIWXIFY-WPRPVWTQSA-N -1 0 310.354 -0.622 20 0 DBADRM CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001053866636 978122924 /nfs/dbraw/zinc/12/29/24/978122924.db2.gz JAHFXDCWPJDJDS-JGPRNRPPSA-N -1 0 323.353 -0.405 20 0 DBADRM CC(C)N1CC2(C1)C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)CO2 ZINC001053890246 978132613 /nfs/dbraw/zinc/13/26/13/978132613.db2.gz DTORLAHYCDVLEU-JTQLQIEISA-N -1 0 322.365 -0.533 20 0 DBADRM CN(CCNC(=O)[C@H]1CC12CC2)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001528709632 1014461208 /nfs/dbraw/zinc/46/12/08/1014461208.db2.gz ZPBOOHSOPINDIS-MRVPVSSYSA-N -1 0 309.326 -0.936 20 0 DBADRM C[C@@H](NC(=O)Cn1cnnn1)C(=O)[N-]OCc1ccccc1 ZINC001141340073 978150083 /nfs/dbraw/zinc/15/00/83/978150083.db2.gz BXMDYGWZJBPHCX-SNVBAGLBSA-N -1 0 304.310 -0.574 20 0 DBADRM CCOC(=O)C[C@@H](NC(=O)NCC(=O)[N-]OC)C(F)(F)F ZINC001207457223 978204787 /nfs/dbraw/zinc/20/47/87/978204787.db2.gz LEVDCECOWDUQRP-ZCFIWIBFSA-N -1 0 315.248 -0.153 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)c1nc[nH]n1 ZINC001528809613 1014479094 /nfs/dbraw/zinc/47/90/94/1014479094.db2.gz BOTCZFNCFSBJIM-UHFFFAOYSA-N -1 0 307.314 -0.566 20 0 DBADRM CCC(=O)N1CC=C(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001488629935 1014485589 /nfs/dbraw/zinc/48/55/89/1014485589.db2.gz PZLKFAAQIPYARA-UHFFFAOYSA-N -1 0 309.326 -0.626 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001209547909 978462855 /nfs/dbraw/zinc/46/28/55/978462855.db2.gz QRIVGJBCMVOXKI-PSASIEDQSA-N -1 0 324.385 -0.639 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@]1(N(C)C)COc2ccccc2C1 ZINC001529058393 1014508704 /nfs/dbraw/zinc/50/87/04/1014508704.db2.gz SWQCGRMLQBEQTR-OAHLLOKOSA-N -1 0 307.350 -0.284 20 0 DBADRM CCC(=O)NC[C@@H]1CCCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001529139942 1014520887 /nfs/dbraw/zinc/52/08/87/1014520887.db2.gz DGHRYJCUXTVEEO-VIFPVBQESA-N -1 0 323.353 -0.267 20 0 DBADRM COC(=O)[C@H](CCO)Oc1[n-]c(=O)nc2ccc(C(N)=O)cc21 ZINC001218221781 978822611 /nfs/dbraw/zinc/82/26/11/978822611.db2.gz NULMCDSEBCYRHU-JTQLQIEISA-N -1 0 321.289 -0.263 20 0 DBADRM COC(=O)c1cc(C)cnc1NC(=O)[C@@H]([NH3+])Cc1nnn[n-]1 ZINC001218578761 978834455 /nfs/dbraw/zinc/83/44/55/978834455.db2.gz OFIULQOTMONVPG-QMMMGPOBSA-N -1 0 305.298 -0.802 20 0 DBADRM CCCSCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219277259 978906041 /nfs/dbraw/zinc/90/60/41/978906041.db2.gz QANLSAHFWZYLCK-BDAKNGLRSA-N -1 0 315.399 -0.685 20 0 DBADRM C[C@H](C[C@H](C)NC(=O)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001488728463 1014533917 /nfs/dbraw/zinc/53/39/17/1014533917.db2.gz GKZXLVWUIYERQL-NKWVEPMBSA-N -1 0 309.326 -0.294 20 0 DBADRM CSC[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219368756 978924658 /nfs/dbraw/zinc/92/46/58/978924658.db2.gz PXRYKSGQVMTGQU-YIZRAAEISA-N -1 0 315.399 -0.829 20 0 DBADRM CC(C)(C)/C=C/C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219385298 978929019 /nfs/dbraw/zinc/92/90/19/978929019.db2.gz JLIVTZGHGVGREX-CFUOYWMPSA-N -1 0 309.370 -0.226 20 0 DBADRM CC[C@H](SC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219474374 978947211 /nfs/dbraw/zinc/94/72/11/978947211.db2.gz NUQXMCAWAVXNMU-VGMNWLOBSA-N -1 0 315.399 -0.687 20 0 DBADRM CC(=O)N[C@@H](C)C[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001488727929 1014536927 /nfs/dbraw/zinc/53/69/27/1014536927.db2.gz YYPURDSZXQMJFD-IUCAKERBSA-N -1 0 320.353 -0.509 20 0 DBADRM O=C(C=Cc1ccc[nH]1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219519459 978955702 /nfs/dbraw/zinc/95/57/02/978955702.db2.gz QTTVZURJHVXPKQ-YHROSDCASA-N -1 0 318.337 -0.787 20 0 DBADRM CCN1C[C@@H](CNC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CC1=O ZINC001596397758 1017136460 /nfs/dbraw/zinc/13/64/60/1017136460.db2.gz NQLYLXIWLBTPQF-AXFHLTTASA-N -1 0 313.354 -0.262 20 0 DBADRM C[C@H]1[C@H](NC(=O)[C@@H](N)c2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001220099588 979093154 /nfs/dbraw/zinc/09/31/54/979093154.db2.gz SVUBAFISKHWUBZ-HGNGGELXSA-N -1 0 313.335 -0.795 20 0 DBADRM O=C(NCCOP(=O)([O-])[O-])[C@H]1Cc2ccccc2C[NH2+]1 ZINC001220221187 979138447 /nfs/dbraw/zinc/13/84/47/979138447.db2.gz UMFVTJLILZHKQJ-LLVKDONJSA-N -1 0 300.251 -0.074 20 0 DBADRM [NH3+][C@H](Cc1cccc(O)c1)C(=O)NCCOP(=O)([O-])[O-] ZINC001220221321 979139355 /nfs/dbraw/zinc/13/93/55/979139355.db2.gz ZRKXAAVXFGHBJS-SNVBAGLBSA-N -1 0 304.239 -0.513 20 0 DBADRM [NH3+][C@@H](Cc1nnn[n-]1)C(=O)NCc1cc(F)cc2c1OCOC2 ZINC001220291504 979157875 /nfs/dbraw/zinc/15/78/75/979157875.db2.gz VTSMTNHYSMIGQT-JTQLQIEISA-N -1 0 322.300 -0.609 20 0 DBADRM CCN1C[C@H](C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CC1=O ZINC001596394982 1017136956 /nfs/dbraw/zinc/13/69/56/1017136956.db2.gz QJMZQFLHSXYCFH-OTYXRUKQSA-N -1 0 309.322 -0.313 20 0 DBADRM CCC(CC)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220624368 979249639 /nfs/dbraw/zinc/24/96/39/979249639.db2.gz CHZAXHWZBLPEPI-MNOVXSKESA-N -1 0 311.386 -0.002 20 0 DBADRM CO[N-]C(=O)CNC(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC001220934550 979329506 /nfs/dbraw/zinc/32/95/06/979329506.db2.gz FQIZNSGDKCEWKW-UHFFFAOYSA-N -1 0 324.337 -0.139 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CCN2C1=O ZINC001596390668 1017137153 /nfs/dbraw/zinc/13/71/53/1017137153.db2.gz YMLNDCNZPRJFND-AEJSXWLSSA-N -1 0 309.322 -0.408 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221736772 979458592 /nfs/dbraw/zinc/45/85/92/979458592.db2.gz DQDILFMDZRMDCB-IVZWLZJFSA-N -1 0 322.369 -0.946 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCc1cnccn1 ZINC001222475049 979513484 /nfs/dbraw/zinc/51/34/84/979513484.db2.gz MOEMFRZPSNRHOA-GFCCVEGCSA-N -1 0 317.367 -0.418 20 0 DBADRM Cn1cncc1CO[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001222594996 979520149 /nfs/dbraw/zinc/52/01/49/979520149.db2.gz LBRWNBOVCNILCP-GFCCVEGCSA-N -1 0 319.383 -0.475 20 0 DBADRM NS(=O)(=O)c1cccc(COC(=O)[C@H](O)CC(=O)[O-])c1 ZINC001222758610 979527530 /nfs/dbraw/zinc/52/75/30/979527530.db2.gz IWGMBRXAACVORP-SECBINFHSA-N -1 0 303.292 -0.787 20 0 DBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCc1ncco1 ZINC001223117456 979537392 /nfs/dbraw/zinc/53/73/92/979537392.db2.gz OASVFNSVFCUMRI-SNVBAGLBSA-N -1 0 306.340 -0.220 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OCc1ncco1 ZINC001223117455 979537973 /nfs/dbraw/zinc/53/79/73/979537973.db2.gz OASVFNSVFCUMRI-JTQLQIEISA-N -1 0 306.340 -0.220 20 0 DBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OC[C@@H]1CCOC1 ZINC001224479387 979571290 /nfs/dbraw/zinc/57/12/90/979571290.db2.gz HJVDULHBVJMJLH-NEPJUHHUSA-N -1 0 309.384 -0.372 20 0 DBADRM CC1(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])COC1 ZINC001224467949 979571869 /nfs/dbraw/zinc/57/18/69/979571869.db2.gz YMEGTAOOOOYWMH-NSHDSACASA-N -1 0 309.384 -0.372 20 0 DBADRM CC(=O)OCCO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001224577304 979577130 /nfs/dbraw/zinc/57/71/30/979577130.db2.gz HUWNRYPNJCFCQD-NSHDSACASA-N -1 0 311.356 -0.845 20 0 DBADRM O=c1cc(Cl)nc(O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])[n-]1 ZINC001225562331 979599336 /nfs/dbraw/zinc/59/93/36/979599336.db2.gz HJQOLIDHNWYJSK-NFNBNWGISA-N -1 0 319.657 -0.043 20 0 DBADRM O=c1cc[nH]c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001225605130 979601420 /nfs/dbraw/zinc/60/14/20/979601420.db2.gz QTCHZJMWAVJHFX-NSHDSACASA-N -1 0 318.351 -0.245 20 0 DBADRM C[C@H]1[C@H](Oc2c([O-])c(=O)c(=O)c2=O)CN1C(=O)OC(C)(C)C ZINC001225831519 979607634 /nfs/dbraw/zinc/60/76/34/979607634.db2.gz WPHHVAHIVRHNJG-NKWVEPMBSA-N -1 0 311.290 -0.265 20 0 DBADRM COC(=O)[C@H](Oc1c([O-])c(=O)c(=O)c1=O)c1cccc(F)c1 ZINC001225830473 979608119 /nfs/dbraw/zinc/60/81/19/979608119.db2.gz JWVNLFKFKLTQCC-GFCCVEGCSA-N -1 0 308.217 -0.219 20 0 DBADRM O=c1cnnc(OC[C@H]2COCCOCCOCCO2)[n-]1 ZINC001226167376 979621712 /nfs/dbraw/zinc/62/17/12/979621712.db2.gz BLSBLALATMXWAZ-SNVBAGLBSA-N -1 0 301.299 -0.595 20 0 DBADRM Cn1nccc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001226397624 979631829 /nfs/dbraw/zinc/63/18/29/979631829.db2.gz ZGEMZVJAQAHLCX-SNVBAGLBSA-N -1 0 305.356 -0.613 20 0 DBADRM CCOC(=O)c1cnn2ccc(OC(=O)[C@H](O)CC(=O)[O-])nc12 ZINC001226354068 979632587 /nfs/dbraw/zinc/63/25/87/979632587.db2.gz LSFIATONGQIETC-MRVPVSSYSA-N -1 0 323.261 -0.353 20 0 DBADRM Nc1ccc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])cn1 ZINC001226777032 979648567 /nfs/dbraw/zinc/64/85/67/979648567.db2.gz HBYAXMYQELHWSV-NSHDSACASA-N -1 0 317.367 -0.369 20 0 DBADRM COc1nc(O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])cc(=O)[n-]1 ZINC001226999924 979652739 /nfs/dbraw/zinc/65/27/39/979652739.db2.gz AFZBMNWMLILKBD-MLTZYSBQSA-N -1 0 315.238 -0.687 20 0 DBADRM COC(=O)CN1C[C@H](Oc2[n-]c(=O)nc3nc[nH]c32)CC1=O ZINC001227070349 979657634 /nfs/dbraw/zinc/65/76/34/979657634.db2.gz OQHUIRWLHPCUJF-ZCFIWIBFSA-N -1 0 307.266 -0.789 20 0 DBADRM CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)Nc1ccnc(C(=O)[O-])n1 ZINC001595154950 979662364 /nfs/dbraw/zinc/66/23/64/979662364.db2.gz STOOHVIWDBUYCN-BDAKNGLRSA-N -1 0 321.337 -0.818 20 0 DBADRM COC(=O)c1nnc(OC[C@@H](COC(C)=O)OC(C)=O)[n-]1 ZINC001228310346 979671404 /nfs/dbraw/zinc/67/14/04/979671404.db2.gz FHWNHLGUVAZGIV-MRVPVSSYSA-N -1 0 301.255 -0.535 20 0 DBADRM CC[C@@H](CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC001595162849 979691043 /nfs/dbraw/zinc/69/10/43/979691043.db2.gz AWABIAUYCFEXCX-ZETCQYMHSA-N -1 0 320.305 -0.125 20 0 DBADRM CC[C@H](CNC(=O)c1nc(N)nc(N2CCOCC2)n1)C(=O)[O-] ZINC001595163291 979694858 /nfs/dbraw/zinc/69/48/58/979694858.db2.gz JGJRDCQGMIZAKB-MRVPVSSYSA-N -1 0 324.341 -0.869 20 0 DBADRM CC[C@@H](CNC(=O)c1cnn(C)c1)Nc1ccnc(C(=O)[O-])n1 ZINC001595163432 979696097 /nfs/dbraw/zinc/69/60/97/979696097.db2.gz MXBXIONMOACDAR-JTQLQIEISA-N -1 0 318.337 -0.049 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC001326454189 979736383 /nfs/dbraw/zinc/73/63/83/979736383.db2.gz SZMSXRPIBOXZOH-GWCFXTLKSA-N -1 0 301.343 -0.309 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1csc(C)n1 ZINC001326617900 979746334 /nfs/dbraw/zinc/74/63/34/979746334.db2.gz VMNZWNWGBUKDSU-UHFFFAOYSA-N -1 0 300.340 -0.748 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)[C@H]1CCCOC1 ZINC001326675322 979752201 /nfs/dbraw/zinc/75/22/01/979752201.db2.gz KSQCZRRRZMWPOB-ZJUUUORDSA-N -1 0 301.343 -0.898 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCOC1CCCCC1 ZINC001326679132 979755391 /nfs/dbraw/zinc/75/53/91/979755391.db2.gz ZKIPKEWELCGGPR-UHFFFAOYSA-N -1 0 315.370 -0.364 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC001326708869 979759001 /nfs/dbraw/zinc/75/90/01/979759001.db2.gz KNEFNWGXARUIQQ-ZDUSSCGKSA-N -1 0 320.349 -0.167 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ncc(C)s1 ZINC001326712602 979759488 /nfs/dbraw/zinc/75/94/88/979759488.db2.gz YMTQHUZKSROWQN-UHFFFAOYSA-N -1 0 300.340 -0.748 20 0 DBADRM O=C([O-])CN(CC(=O)NCCCN1CCCC1=O)CC1CC1 ZINC001326727353 979762504 /nfs/dbraw/zinc/76/25/04/979762504.db2.gz ZGIKKJCAKXKEHM-UHFFFAOYSA-N -1 0 311.382 -0.088 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cn(Cc2ccccn2)nn1 ZINC001326774907 979767083 /nfs/dbraw/zinc/76/70/83/979767083.db2.gz DSMDPUNNHSDFMK-UHFFFAOYSA-N -1 0 315.293 -0.630 20 0 DBADRM CNC(=O)CN1CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001326936046 979778370 /nfs/dbraw/zinc/77/83/70/979778370.db2.gz OTQNEVWPIFQDGQ-HNNXBMFYSA-N -1 0 309.366 -0.312 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCCn1c2ccccc2[nH]c1=O ZINC001327123137 979792190 /nfs/dbraw/zinc/79/21/90/979792190.db2.gz ZURQOSICVNBZQY-UHFFFAOYSA-N -1 0 322.321 -0.448 20 0 DBADRM CCN1CC[C@@H](n2nnnc2N2CCC(C(=O)[O-])CC2)C1=O ZINC001596414288 1017138490 /nfs/dbraw/zinc/13/84/90/1017138490.db2.gz BVQUZNLSALHTGB-SNVBAGLBSA-N -1 0 308.342 -0.233 20 0 DBADRM O=C(NC[C@H]1CSCCS1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001331057511 979853217 /nfs/dbraw/zinc/85/32/17/979853217.db2.gz FATFTTUXPZMHTP-CIUDSAMLSA-N -1 0 318.420 -0.069 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCO[C@@H](C2CCC2)C1 ZINC001331093424 979854175 /nfs/dbraw/zinc/85/41/75/979854175.db2.gz HQIOFAZAXUGKLH-IJLUTSLNSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC001331096535 979854641 /nfs/dbraw/zinc/85/46/41/979854641.db2.gz ZZENQHDSIODUJG-FIQHERPVSA-N -1 0 310.350 -0.007 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccnc3c2CC(=O)N3)C1=O ZINC001331171726 979864817 /nfs/dbraw/zinc/86/48/17/979864817.db2.gz YFHYONZWQZFBPR-CQSZACIVSA-N -1 0 317.305 -0.059 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC(C)(C)C(C)(F)F ZINC001331460142 979879890 /nfs/dbraw/zinc/87/98/90/979879890.db2.gz SQYSTLYTDFVJQE-UHFFFAOYSA-N -1 0 309.313 -0.032 20 0 DBADRM CO[C@]1(C(F)(F)F)CCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC001331510179 979884801 /nfs/dbraw/zinc/88/48/01/979884801.db2.gz SOFYYAYQDBZMQC-SNVBAGLBSA-N -1 0 312.244 -0.243 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)C(=O)[N-]OC[C@H]2CCOC2)C1 ZINC001342803134 979908487 /nfs/dbraw/zinc/90/84/87/979908487.db2.gz VUJVOSRTCWOYIV-QWRGUYRKSA-N -1 0 313.354 -0.802 20 0 DBADRM CO[N-]C(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC001343373760 979942263 /nfs/dbraw/zinc/94/22/63/979942263.db2.gz AIYSQHIQUIEMJD-UHFFFAOYSA-N -1 0 307.306 -0.225 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cncc(Br)c1 ZINC001343377547 979942891 /nfs/dbraw/zinc/94/28/91/979942891.db2.gz SXUFCGHRKQCPHX-UHFFFAOYSA-N -1 0 317.099 -0.684 20 0 DBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC001343378760 979943138 /nfs/dbraw/zinc/94/31/38/979943138.db2.gz XEJMYEBQKHQKKS-UHFFFAOYSA-N -1 0 324.318 -0.798 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CCCCC(N)=O ZINC001343797239 979962607 /nfs/dbraw/zinc/96/26/07/979962607.db2.gz PKJXUCVEYFONOK-UHFFFAOYSA-N -1 0 302.356 -0.421 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC001344117068 979975459 /nfs/dbraw/zinc/97/54/59/979975459.db2.gz RSGDZDYVRXTKOO-AWEZNQCLSA-N -1 0 321.337 -0.828 20 0 DBADRM COCCOCCS(=O)(=O)[N-]C(=O)CCc1cnccn1 ZINC001344442378 979997644 /nfs/dbraw/zinc/99/76/44/979997644.db2.gz NTFVAHYSTDBNOO-UHFFFAOYSA-N -1 0 317.367 -0.482 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCN(C)c2ccccc2C1 ZINC001344758372 980009186 /nfs/dbraw/zinc/00/91/86/980009186.db2.gz WSHVESRDZWHAFT-UHFFFAOYSA-N -1 0 317.353 -0.193 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001345932182 980102072 /nfs/dbraw/zinc/10/20/72/980102072.db2.gz UDSLACXUUUQVGE-VXGBXAGGSA-N -1 0 311.382 -0.138 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](CC)C1CCOCC1 ZINC001346372012 980135597 /nfs/dbraw/zinc/13/55/97/980135597.db2.gz CVLZNARLIPMZJD-NSHDSACASA-N -1 0 315.370 -0.508 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)c1nnc(C)s1 ZINC001346384113 980137601 /nfs/dbraw/zinc/13/76/01/980137601.db2.gz NZZFJUQLPQDRPH-ZCFIWIBFSA-N -1 0 315.355 -0.792 20 0 DBADRM O=C([N-]OCc1ccccc1)C(=O)NCCN1CCCC1=O ZINC001346410117 980140236 /nfs/dbraw/zinc/14/02/36/980140236.db2.gz FVCUMGQTXBQRCM-UHFFFAOYSA-N -1 0 305.334 -0.027 20 0 DBADRM COCCO[N-]C(=O)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC001346415244 980140901 /nfs/dbraw/zinc/14/09/01/980140901.db2.gz MWKKJCLSAWSHOK-UHFFFAOYSA-N -1 0 320.305 -0.995 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@](C)(OC)C1 ZINC001346414926 980141481 /nfs/dbraw/zinc/14/14/81/980141481.db2.gz KPGXSFKOAPDZIA-ZDUSSCGKSA-N -1 0 301.343 -0.802 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(COC)CC1 ZINC001346414987 980141543 /nfs/dbraw/zinc/14/15/43/980141543.db2.gz LHYBATSOWVHXDB-UHFFFAOYSA-N -1 0 301.343 -0.945 20 0 DBADRM CSc1nnc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])s1 ZINC001346516058 980148467 /nfs/dbraw/zinc/14/84/67/980148467.db2.gz MEIAJAXVEXXDCJ-RXMQYKEDSA-N -1 0 318.380 -0.287 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC001346520036 980149467 /nfs/dbraw/zinc/14/94/67/980149467.db2.gz ZOXJCBSZWMQDAN-KOLCDFICSA-N -1 0 313.354 -0.802 20 0 DBADRM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001346806559 980171930 /nfs/dbraw/zinc/17/19/30/980171930.db2.gz AJKMJVFZGFLCTH-SNVBAGLBSA-N -1 0 316.354 -0.083 20 0 DBADRM O=C(CCCN1C(=O)CNC1=O)NC1(C(=O)[O-])CCOCC1 ZINC001347169936 980202456 /nfs/dbraw/zinc/20/24/56/980202456.db2.gz BPVZPYSUSIEFAQ-UHFFFAOYSA-N -1 0 313.310 -0.932 20 0 DBADRM CCn1cccc(CNC(=O)C(=O)[N-]OCCSC)c1=O ZINC001347320572 980214909 /nfs/dbraw/zinc/21/49/09/980214909.db2.gz PAAOQXBCXHKCMS-UHFFFAOYSA-N -1 0 313.379 -0.105 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001347653061 980238117 /nfs/dbraw/zinc/23/81/17/980238117.db2.gz VNQLGQUEGHIRFC-RNLVFQAGSA-N -1 0 305.281 -0.670 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC001347776074 980250367 /nfs/dbraw/zinc/25/03/67/980250367.db2.gz QSQOJZLFRUHRER-SECBINFHSA-N -1 0 322.383 -0.200 20 0 DBADRM CC/C=C(/C)C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001348175971 980264437 /nfs/dbraw/zinc/26/44/37/980264437.db2.gz NPZHPBYMRVRCSV-WTKPLQERSA-N -1 0 321.337 -0.077 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001595278877 980315320 /nfs/dbraw/zinc/31/53/20/980315320.db2.gz KQHMQWZAEIIBQQ-OUAUKWLOSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001595279576 980320925 /nfs/dbraw/zinc/32/09/25/980320925.db2.gz SKFIIHAFIREUPD-GARJFASQSA-N -1 0 314.338 -0.234 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001595279593 980321098 /nfs/dbraw/zinc/32/10/98/980321098.db2.gz SOOPDIMZPHVGQM-OUAUKWLOSA-N -1 0 314.338 -0.234 20 0 DBADRM Cc1n[nH]c(C(=O)NCCNC(=O)c2cnn(CCF)c2)c1[O-] ZINC001348788667 980360998 /nfs/dbraw/zinc/36/09/98/980360998.db2.gz NGESLJDUZXYFNC-UHFFFAOYSA-N -1 0 324.316 -0.250 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)Nc1cc(F)ccc1N(C)C ZINC001348956757 980392315 /nfs/dbraw/zinc/39/23/15/980392315.db2.gz YKBMXIFCLIRAOE-UHFFFAOYSA-N -1 0 312.301 -0.376 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC001349429667 980467775 /nfs/dbraw/zinc/46/77/75/980467775.db2.gz ZABKSAYNWQLDFV-ZJUUUORDSA-N -1 0 315.395 -0.618 20 0 DBADRM CCN1CC[C@@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1=O ZINC001596409883 1017139636 /nfs/dbraw/zinc/13/96/36/1017139636.db2.gz RFKYIEYETZGVMM-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccccc1COC ZINC001349688555 980498053 /nfs/dbraw/zinc/49/80/53/980498053.db2.gz NTGYSWFSPUHQQH-UHFFFAOYSA-N -1 0 323.349 -0.367 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCC1CC(OCC)C1 ZINC001349728215 980501024 /nfs/dbraw/zinc/50/10/24/980501024.db2.gz DFZQRRBZJLUPDL-UHFFFAOYSA-N -1 0 315.370 -0.508 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1C[C@H](C)O[C@@H]1C ZINC001349736194 980501712 /nfs/dbraw/zinc/50/17/12/980501712.db2.gz PGJODHZZXJBFMM-AEJSXWLSSA-N -1 0 301.343 -0.900 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)C1Cc2ccccc2C1 ZINC001349752500 980505132 /nfs/dbraw/zinc/50/51/32/980505132.db2.gz HAODQJHWKXEDLY-UHFFFAOYSA-N -1 0 319.361 -0.204 20 0 DBADRM CO[C@H](C)C(=O)NCCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001349781250 980508868 /nfs/dbraw/zinc/50/88/68/980508868.db2.gz ZJZNAUDZJISUOK-SECBINFHSA-N -1 0 321.337 -0.706 20 0 DBADRM CCC(O)(CC)CN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001595323464 980523209 /nfs/dbraw/zinc/52/32/09/980523209.db2.gz OUUNAGIKXXCFJO-JTQLQIEISA-N -1 0 300.355 -0.071 20 0 DBADRM CCC(O)(CC)CN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001595323465 980523517 /nfs/dbraw/zinc/52/35/17/980523517.db2.gz OUUNAGIKXXCFJO-SNVBAGLBSA-N -1 0 300.355 -0.071 20 0 DBADRM CCN1C[C@H](C)N(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[C@@H]1C ZINC001349959499 980527437 /nfs/dbraw/zinc/52/74/37/980527437.db2.gz XHVJGZXPPWPCSR-FIQHERPVSA-N -1 0 311.382 -0.093 20 0 DBADRM O=C(C[C@H]1CCS(=O)(=O)C1)[N-]S(=O)(=O)C1(Cl)CC1 ZINC001350280320 980556854 /nfs/dbraw/zinc/55/68/54/980556854.db2.gz IKTPEMJPPRDAOR-SSDOTTSWSA-N -1 0 315.800 -0.014 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N(OC)[C@H](C)CC(=O)[O-])nn1 ZINC001595331380 980570979 /nfs/dbraw/zinc/57/09/79/980570979.db2.gz CKKWCQNJZTXGQA-RKDXNWHRSA-N -1 0 300.315 -0.084 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N2CCSC[C@H]2C(=O)[O-])nn1 ZINC001595332660 980581049 /nfs/dbraw/zinc/58/10/49/980581049.db2.gz YPFBQSOIFKKOHF-WPRPVWTQSA-N -1 0 314.367 -0.309 20 0 DBADRM O=C(CC1CC1)NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[nH]1 ZINC001489070668 1014669706 /nfs/dbraw/zinc/66/97/06/1014669706.db2.gz FJVVWFXNLVIWFR-LLVKDONJSA-N -1 0 319.365 -0.423 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)/C=C(\C)CN2CCOCC2)C1 ZINC001350778741 980603014 /nfs/dbraw/zinc/60/30/14/980603014.db2.gz PWHGCEUYIXPOQJ-RZXPCSSPSA-N -1 0 312.366 -0.033 20 0 DBADRM CCn1cc(CNC(=O)C(=O)[N-]OCCC(F)(F)F)nn1 ZINC001350896680 980611208 /nfs/dbraw/zinc/61/12/08/980611208.db2.gz KTADHCYXWVPJSI-UHFFFAOYSA-N -1 0 309.248 -0.086 20 0 DBADRM CC(C)C(=O)NCc1nc(CN[C@@H]2CCN(C)C2=O)cc(=O)[nH]1 ZINC001489071313 1014670791 /nfs/dbraw/zinc/67/07/91/1014670791.db2.gz VVZMSAFCWBGOJS-LLVKDONJSA-N -1 0 321.381 -0.225 20 0 DBADRM CC(F)(F)C(=O)NCc1nc(CNCC(N)=O)cc(=O)[nH]1 ZINC001489071285 1014671027 /nfs/dbraw/zinc/67/10/27/1014671027.db2.gz VNAXBINZXDIAGN-UHFFFAOYSA-N -1 0 303.269 -0.972 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)Cc1ccc(C)s1 ZINC001351300894 980639915 /nfs/dbraw/zinc/63/99/15/980639915.db2.gz HNBACXXPBRIQNL-MRVPVSSYSA-N -1 0 313.379 -0.102 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001351544009 980664492 /nfs/dbraw/zinc/66/44/92/980664492.db2.gz DRAARLPOBBMRRZ-UHFFFAOYSA-N -1 0 309.326 -0.715 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]cn2)CC[C@@H]1C(=O)[O-] ZINC001351686290 980682122 /nfs/dbraw/zinc/68/21/22/980682122.db2.gz WYVXBILPEOLRDS-ONGXEEELSA-N -1 0 308.338 -0.063 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N(C)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001351760665 980687662 /nfs/dbraw/zinc/68/76/62/980687662.db2.gz GAEPDERYAAXIQA-HTQZYQBOSA-N -1 0 309.326 -0.483 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCOC(C2CC2)(C2CC2)C1 ZINC001352606195 980734071 /nfs/dbraw/zinc/73/40/71/980734071.db2.gz FCCUBECKOHSIBR-UHFFFAOYSA-N -1 0 322.369 -0.254 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCO[C@@](C)(C(F)F)C1 ZINC001352609563 980735039 /nfs/dbraw/zinc/73/50/39/980735039.db2.gz PMTHADAVPLBPFA-SNVBAGLBSA-N -1 0 306.273 -0.789 20 0 DBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC001352653942 980738677 /nfs/dbraw/zinc/73/86/77/980738677.db2.gz QAOSDRYKMJYHCP-MRVPVSSYSA-N -1 0 323.296 -0.947 20 0 DBADRM CCN(CC)C(=O)CNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001352774521 980746947 /nfs/dbraw/zinc/74/69/47/980746947.db2.gz YRLHNAFWDXLNOL-UHFFFAOYSA-N -1 0 313.276 -0.029 20 0 DBADRM CCN1CC[C@H](n2nnnc2N2CCC(C(=O)[O-])CC2)C1=O ZINC001596414286 1017139700 /nfs/dbraw/zinc/13/97/00/1017139700.db2.gz BVQUZNLSALHTGB-JTQLQIEISA-N -1 0 308.342 -0.233 20 0 DBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCO[C@H](C2CCC2)C1 ZINC001353215633 980791137 /nfs/dbraw/zinc/79/11/37/980791137.db2.gz HQIOFAZAXUGKLH-TUAOUCFPSA-N -1 0 310.350 -0.007 20 0 DBADRM CC(C)=CC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001353479310 980805302 /nfs/dbraw/zinc/80/53/02/980805302.db2.gz BCMWBYLRRIGRFJ-QMMMGPOBSA-N -1 0 307.310 -0.420 20 0 DBADRM CCN1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001596415279 1017139755 /nfs/dbraw/zinc/13/97/55/1017139755.db2.gz NOSWBPVVTGANHN-UTUOFQBUSA-N -1 0 311.382 -0.234 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001353923086 980825958 /nfs/dbraw/zinc/82/59/58/980825958.db2.gz UFTLPRYFNQHTOF-RYUDHWBXSA-N -1 0 316.398 -0.115 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001353923083 980826637 /nfs/dbraw/zinc/82/66/37/980826637.db2.gz UFTLPRYFNQHTOF-NWDGAFQWSA-N -1 0 316.398 -0.115 20 0 DBADRM CO[N-]C(=O)CNC(=O)NCc1nc(CN(C)C)cs1 ZINC001354203379 980836027 /nfs/dbraw/zinc/83/60/27/980836027.db2.gz BFWMLRUEAPLCJA-UHFFFAOYSA-N -1 0 301.372 -0.319 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)Cc1ccccc1C ZINC001354419052 980850429 /nfs/dbraw/zinc/85/04/29/980850429.db2.gz FNTMIJJYEDCEHG-LLVKDONJSA-N -1 0 307.350 -0.164 20 0 DBADRM CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCC(=O)[N-]OC)C1(C)C ZINC001354968334 980880717 /nfs/dbraw/zinc/88/07/17/980880717.db2.gz NPFCPKNWGJSLDU-NXEZZACHSA-N -1 0 315.370 -0.558 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H]1c1ccc(F)cc1 ZINC001354966371 980881029 /nfs/dbraw/zinc/88/10/29/980881029.db2.gz FTHDXZBVSGRYSE-NSHDSACASA-N -1 0 309.297 -0.107 20 0 DBADRM CNC(=O)C1(C(=O)N(C)CCNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001355554190 980899237 /nfs/dbraw/zinc/89/92/37/980899237.db2.gz VPNBFOYWVLHERY-UHFFFAOYSA-N -1 0 323.353 -0.862 20 0 DBADRM CC/C(C)=C\C(=O)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001355791712 980911506 /nfs/dbraw/zinc/91/15/06/980911506.db2.gz QDRQXJAXQFNZPG-CLFYSBASSA-N -1 0 311.342 -0.380 20 0 DBADRM CCOC1CC2(C1)CCN(c1nnnn1CC(=O)[N-]OC)C2 ZINC001355897156 980917742 /nfs/dbraw/zinc/91/77/42/980917742.db2.gz OENGPEYYYYKTQM-UHFFFAOYSA-N -1 0 310.358 -0.254 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C=C(C)C ZINC001356151318 980927349 /nfs/dbraw/zinc/92/73/49/980927349.db2.gz JYCPWSRXMOOINI-UHFFFAOYSA-N -1 0 311.342 -0.380 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNC(=O)[C@H]2CCNC2=O)c1[O-] ZINC001357017849 981024774 /nfs/dbraw/zinc/02/47/74/981024774.db2.gz CVDLICDUXKQCIN-APPZFPTMSA-N -1 0 323.353 -0.958 20 0 DBADRM CC(C)CC(=O)NC/C=C\CNC(=O)c1cnc([O-])n(C)c1=O ZINC001357521469 981065860 /nfs/dbraw/zinc/06/58/60/981065860.db2.gz QEBORRMKHXWYHN-PLNGDYQASA-N -1 0 322.365 -0.066 20 0 DBADRM CC(C)CC(=O)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001357521879 981066662 /nfs/dbraw/zinc/06/66/62/981066662.db2.gz UYAKAAVEWFCMOW-ONEGZZNKSA-N -1 0 309.326 -0.269 20 0 DBADRM CC/C=C(/C)C(=O)NC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001358286038 981123185 /nfs/dbraw/zinc/12/31/85/981123185.db2.gz UKZABLXAYSIFAN-GRKOMRHMSA-N -1 0 309.326 -0.126 20 0 DBADRM C/C=C(/C)C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001358596195 981147469 /nfs/dbraw/zinc/14/74/69/981147469.db2.gz CJBPCERRIICGNE-CHDHTGKKSA-N -1 0 309.326 -0.627 20 0 DBADRM CC/C(C)=C\C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001358604026 981148590 /nfs/dbraw/zinc/14/85/90/981148590.db2.gz OQXMNBJRURMRGR-JGAIRUGNSA-N -1 0 321.337 -0.030 20 0 DBADRM CC/C(C)=C\C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001358604028 981149061 /nfs/dbraw/zinc/14/90/61/981149061.db2.gz OQXMNBJRURMRGR-XZLDQRQTSA-N -1 0 321.337 -0.030 20 0 DBADRM CC(C)=CC(=O)N1CC[C@@](C)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001358801114 981188435 /nfs/dbraw/zinc/18/84/35/981188435.db2.gz JXPOWMKOVREBEU-CQSZACIVSA-N -1 0 323.353 -0.237 20 0 DBADRM CO[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H]1C ZINC001361458176 981235341 /nfs/dbraw/zinc/23/53/41/981235341.db2.gz VMKAJBTZBCWBBY-MWLCHTKSSA-N -1 0 305.338 -0.045 20 0 DBADRM CCN1CC[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1=O ZINC001596409833 1017139908 /nfs/dbraw/zinc/13/99/08/1017139908.db2.gz FHJRSDLTFRHCSP-SNVBAGLBSA-N -1 0 319.383 -0.762 20 0 DBADRM Cn1cc(C(C)(C)NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)nn1 ZINC001361527555 981250278 /nfs/dbraw/zinc/25/02/78/981250278.db2.gz SEAJXECDIHVKGL-UHFFFAOYSA-N -1 0 316.325 -0.749 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CCC(O)CC1 ZINC001361635898 981283023 /nfs/dbraw/zinc/28/30/23/981283023.db2.gz BNGWLSYSKWPEGS-UHFFFAOYSA-N -1 0 304.306 -0.137 20 0 DBADRM Cn1[n-]c(C(=O)NCc2cccc(S(N)(=O)=O)c2)cc1=O ZINC001361639245 981284738 /nfs/dbraw/zinc/28/47/38/981284738.db2.gz IVRSGNHKJZUKOF-UHFFFAOYSA-N -1 0 310.335 -0.297 20 0 DBADRM C[C@@H](CN1CCOCC1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001361647273 981285899 /nfs/dbraw/zinc/28/58/99/981285899.db2.gz LCTTXHLGBZCFPB-JTQLQIEISA-N -1 0 313.358 -0.694 20 0 DBADRM C[C@H](CN1CCOCC1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001361647274 981286010 /nfs/dbraw/zinc/28/60/10/981286010.db2.gz LCTTXHLGBZCFPB-SNVBAGLBSA-N -1 0 313.358 -0.694 20 0 DBADRM NC(=O)CC1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001361658228 981291023 /nfs/dbraw/zinc/29/10/23/981291023.db2.gz VWZFALFSSQXDAF-UHFFFAOYSA-N -1 0 311.342 -0.417 20 0 DBADRM CN(Cc1ccccc1)C(=O)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001361665498 981293454 /nfs/dbraw/zinc/29/34/54/981293454.db2.gz BDIQWSMNRZKWPP-UHFFFAOYSA-N -1 0 317.305 -0.329 20 0 DBADRM CCOC(=O)c1cc(C(=O)N=c2nn[n-]n2CCOC)[nH]c1C ZINC001361669465 981293863 /nfs/dbraw/zinc/29/38/63/981293863.db2.gz VENMBDLFMKTIOU-UHFFFAOYSA-N -1 0 322.325 -0.193 20 0 DBADRM CCNC(=O)CN(CC)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001361670487 981294531 /nfs/dbraw/zinc/29/45/31/981294531.db2.gz QNPJUOKTJMVPOT-UHFFFAOYSA-N -1 0 317.353 -0.327 20 0 DBADRM CN(C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1)c1nnn[n-]1 ZINC001361673939 981294715 /nfs/dbraw/zinc/29/47/15/981294715.db2.gz MQDDGZDXYSIWFH-MNOVXSKESA-N -1 0 317.309 -0.844 20 0 DBADRM NC(=O)[C@@H]1Cc2ccccc2N(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001361744404 981310982 /nfs/dbraw/zinc/31/09/82/981310982.db2.gz MIVPFUNKIBDJBA-SECBINFHSA-N -1 0 317.305 -0.620 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001361754142 981312988 /nfs/dbraw/zinc/31/29/88/981312988.db2.gz CNKHJKHDNAGQGC-UHFFFAOYSA-N -1 0 323.401 -0.809 20 0 DBADRM COCC[C@@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C(N)=O ZINC001361780213 981320001 /nfs/dbraw/zinc/32/00/01/981320001.db2.gz FJMBMIZXEVLDRJ-LLVKDONJSA-N -1 0 312.370 -0.619 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1CCO[C@H](c3nnn[n-]3)C1)CC2 ZINC001361779644 981320490 /nfs/dbraw/zinc/32/04/90/981320490.db2.gz AVAVWIJGPSBDHG-KWQFWETISA-N -1 0 318.341 -0.967 20 0 DBADRM Cc1ccn(C[C@@H](C)C(=O)N2CCO[C@H](c3nnn[n-]3)C2)n1 ZINC001361782582 981322498 /nfs/dbraw/zinc/32/24/98/981322498.db2.gz IJYYDSRQPNLXBP-KOLCDFICSA-N -1 0 305.342 -0.059 20 0 DBADRM CC(C)CN(CC(N)=O)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001361788039 981323030 /nfs/dbraw/zinc/32/30/30/981323030.db2.gz HJXWZDJMLVYZPM-UHFFFAOYSA-N -1 0 317.353 -0.342 20 0 DBADRM O=C(c1cnc(C2CC2)[nH]c1=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001361786182 981324058 /nfs/dbraw/zinc/32/40/58/981324058.db2.gz VKVSGCJPJMFCHO-SECBINFHSA-N -1 0 317.309 -0.214 20 0 DBADRM CNC(=O)COc1ccc(C(=O)N(C)c2nnn[n-]2)cc1OC ZINC001361800789 981328005 /nfs/dbraw/zinc/32/80/05/981328005.db2.gz LHWDNSODDAHHSR-UHFFFAOYSA-N -1 0 320.309 -0.390 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NC(C)(C)CNC(N)=O)cc1=O ZINC001361812616 981332005 /nfs/dbraw/zinc/33/20/05/981332005.db2.gz RCVRMPJBPVPTKB-UHFFFAOYSA-N -1 0 311.386 -0.062 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001361835053 981338286 /nfs/dbraw/zinc/33/82/86/981338286.db2.gz UKTKFCMEADVCFF-ZETCQYMHSA-N -1 0 318.355 -0.887 20 0 DBADRM O=C(CCNC(=O)CCc1nnn[n-]1)NCc1ccccc1 ZINC001361861502 981343989 /nfs/dbraw/zinc/34/39/89/981343989.db2.gz AQGZKZVFJIYFBM-UHFFFAOYSA-N -1 0 302.338 -0.045 20 0 DBADRM CCCNC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001361879009 981347865 /nfs/dbraw/zinc/34/78/65/981347865.db2.gz ZBYPQKAMLDLLCV-VIFPVBQESA-N -1 0 311.342 -0.546 20 0 DBADRM CN1C[C@@H](C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)NC1=O ZINC001361888794 981350935 /nfs/dbraw/zinc/35/09/35/981350935.db2.gz HFUWCMGNLOVJNI-VIFPVBQESA-N -1 0 303.278 -0.008 20 0 DBADRM CN(C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1nnn[n-]1 ZINC001361907702 981355250 /nfs/dbraw/zinc/35/52/50/981355250.db2.gz SJJXTPQRXIDVCP-VIFPVBQESA-N -1 0 301.310 -0.394 20 0 DBADRM Cn1cnnc1C1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001361908609 981356583 /nfs/dbraw/zinc/35/65/83/981356583.db2.gz ZPHABPRNTOPTJS-UHFFFAOYSA-N -1 0 305.298 -0.569 20 0 DBADRM CC(C)(NC(=O)c1nc[n-]c(=O)c1Br)C(N)=O ZINC001361962193 981374590 /nfs/dbraw/zinc/37/45/90/981374590.db2.gz YJOLTVWGQIMEJM-UHFFFAOYSA-N -1 0 303.116 -0.062 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001361975667 981376572 /nfs/dbraw/zinc/37/65/72/981376572.db2.gz QYFLDMLJKIWFQS-SNVBAGLBSA-N -1 0 316.321 -0.290 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001361975656 981376799 /nfs/dbraw/zinc/37/67/99/981376799.db2.gz QYFLDMLJKIWFQS-JTQLQIEISA-N -1 0 316.321 -0.290 20 0 DBADRM COC[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CCO1 ZINC001361985540 981379441 /nfs/dbraw/zinc/37/94/41/981379441.db2.gz XLJZWHNDCXKSCH-VIFPVBQESA-N -1 0 300.315 -0.657 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)CSc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001361990993 981381539 /nfs/dbraw/zinc/38/15/39/981381539.db2.gz AWXCTDVFUJIJPA-MRVPVSSYSA-N -1 0 323.382 -0.269 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001362016404 981386927 /nfs/dbraw/zinc/38/69/27/981386927.db2.gz YRFNPYNPQNYTHE-NSHDSACASA-N -1 0 322.369 -0.628 20 0 DBADRM COC(=O)C(C)(C)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362030350 981392108 /nfs/dbraw/zinc/39/21/08/981392108.db2.gz PQAYYYSVACWZNV-UHFFFAOYSA-N -1 0 320.305 -0.052 20 0 DBADRM O=C(NCc1nn[n-]n1)c1cccn(CC(F)(F)F)c1=O ZINC001362044221 981396673 /nfs/dbraw/zinc/39/66/73/981396673.db2.gz SGELVBRITJKZMN-UHFFFAOYSA-N -1 0 302.216 -0.146 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1CN(C(=O)CCc2nnn[n-]2)CCO1 ZINC001362056834 981402875 /nfs/dbraw/zinc/40/28/75/981402875.db2.gz FTSLRTNAPIAYOT-SECBINFHSA-N -1 0 311.342 -0.299 20 0 DBADRM CC[C@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C(=O)OC ZINC001362062060 981404474 /nfs/dbraw/zinc/40/44/74/981404474.db2.gz JDJOGPQBRMFTNS-JTQLQIEISA-N -1 0 304.310 -0.244 20 0 DBADRM C[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)S(=O)(=O)C1CCOCC1 ZINC001362060068 981405119 /nfs/dbraw/zinc/40/51/19/981405119.db2.gz ASVNMQJQPPGONU-SSDOTTSWSA-N -1 0 318.355 -0.891 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NCc2n[nH]c(=O)[n-]2)C1 ZINC001362065190 981405829 /nfs/dbraw/zinc/40/58/29/981405829.db2.gz SIWYEKPFLALRMB-ZETCQYMHSA-N -1 0 311.298 -0.387 20 0 DBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362065079 981405853 /nfs/dbraw/zinc/40/58/53/981405853.db2.gz SOJXUARTOFGWSO-SFYZADRCSA-N -1 0 311.346 -0.817 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NCc2n[nH]c(=O)[n-]2)C1 ZINC001362065185 981406616 /nfs/dbraw/zinc/40/66/16/981406616.db2.gz SIWYEKPFLALRMB-SSDOTTSWSA-N -1 0 311.298 -0.387 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362066866 981407798 /nfs/dbraw/zinc/40/77/98/981407798.db2.gz XTPQSTARNPYZHY-VIFPVBQESA-N -1 0 317.371 -0.686 20 0 DBADRM CCC[C@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)c1nnn[n-]1 ZINC001362068487 981408274 /nfs/dbraw/zinc/40/82/74/981408274.db2.gz DADCLPPRYBHDAS-UTLUCORTSA-N -1 0 310.358 -0.030 20 0 DBADRM O=C(Cc1csc(N2CCOCC2)n1)NCc1n[nH]c(=O)[n-]1 ZINC001362072362 981408864 /nfs/dbraw/zinc/40/88/64/981408864.db2.gz BQNSWVRHPCQIKX-UHFFFAOYSA-N -1 0 324.366 -0.338 20 0 DBADRM CNC(=O)[C@@H](C)CN(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001362074118 981408919 /nfs/dbraw/zinc/40/89/19/981408919.db2.gz LZAHPNLNKDDLGQ-VIFPVBQESA-N -1 0 317.353 -0.471 20 0 DBADRM O=C(NC[C@H]1CCS(=O)(=O)C1)c1c[n-]n2c1nccc2=O ZINC001362076314 981411399 /nfs/dbraw/zinc/41/13/99/981411399.db2.gz WFKLEVYQHDRGLL-MRVPVSSYSA-N -1 0 310.335 -0.813 20 0 DBADRM CC(=O)N1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H](C)C1 ZINC001362090702 981415558 /nfs/dbraw/zinc/41/55/58/981415558.db2.gz PGCSBBPGPFHBMP-SECBINFHSA-N -1 0 311.342 -0.451 20 0 DBADRM Cn1ccnc1C[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001362094213 981417233 /nfs/dbraw/zinc/41/72/33/981417233.db2.gz OGQQWKIYHCDCFQ-SNVBAGLBSA-N -1 0 320.353 -0.096 20 0 DBADRM O=C(CCc1nnn[n-]1)NCC(=O)N1CCc2ccccc21 ZINC001362102770 981420858 /nfs/dbraw/zinc/42/08/58/981420858.db2.gz YDRRJZPHRNEXKU-UHFFFAOYSA-N -1 0 300.322 -0.162 20 0 DBADRM O=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362127080 981430932 /nfs/dbraw/zinc/43/09/32/981430932.db2.gz VDRCZZSGTTWASE-SECBINFHSA-N -1 0 317.309 -0.214 20 0 DBADRM Cc1cc([C@](C)(O)CNC(=O)Cn2c(=O)[n-][nH]c2=O)c(C)o1 ZINC001362143693 981437299 /nfs/dbraw/zinc/43/72/99/981437299.db2.gz QXBBNXGQHXYOMA-CYBMUJFWSA-N -1 0 310.310 -0.077 20 0 DBADRM C[C@H]([C@H](C)N(C)C(=O)CCCc1nnn[n-]1)S(C)(=O)=O ZINC001362148216 981439331 /nfs/dbraw/zinc/43/93/31/981439331.db2.gz PGBPHSRYGLATOS-DTWKUNHWSA-N -1 0 303.388 -0.198 20 0 DBADRM CNC(=O)[C@@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001362148302 981439437 /nfs/dbraw/zinc/43/94/37/981439437.db2.gz RYPHUIMIAAKMKU-SECBINFHSA-N -1 0 303.322 -0.379 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362169016 981446846 /nfs/dbraw/zinc/44/68/46/981446846.db2.gz SOCODWSMZNFJRS-UHFFFAOYSA-N -1 0 304.328 -0.822 20 0 DBADRM O=C(CNC(=O)c1ncccc1O)N1CCSC[C@@H]1CO ZINC001362179974 981449530 /nfs/dbraw/zinc/44/95/30/981449530.db2.gz WQHWHKRQUWDWIN-VIFPVBQESA-N -1 0 311.363 -0.547 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CCCc1nnn[n-]1 ZINC001362183328 981451145 /nfs/dbraw/zinc/45/11/45/981451145.db2.gz ZAZFVNSTTHFNRB-VIFPVBQESA-N -1 0 316.387 -0.937 20 0 DBADRM COCCn1nc(C)c(NC(=O)c2n[nH]c(=O)[n-]c2=O)c1C ZINC001362186413 981453436 /nfs/dbraw/zinc/45/34/36/981453436.db2.gz VOKVXDSVQQPGOT-UHFFFAOYSA-N -1 0 308.298 -0.005 20 0 DBADRM O=C(c1cn([C@@H]2CC[C@H]2O)nn1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362209415 981460850 /nfs/dbraw/zinc/46/08/50/981460850.db2.gz PECZDPDMKSTTBZ-JMJZKYOTSA-N -1 0 318.341 -0.493 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1COc2ccccc2C1=O ZINC001362225003 981469230 /nfs/dbraw/zinc/46/92/30/981469230.db2.gz MYBVPQFLETZOFG-QMMMGPOBSA-N -1 0 304.262 -0.551 20 0 DBADRM COC(=O)[C@](C)(NC(=O)CCCn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001362222932 981469595 /nfs/dbraw/zinc/46/95/95/981469595.db2.gz FWMSNFLBDKVMNQ-CYBMUJFWSA-N -1 0 312.326 -0.073 20 0 DBADRM COC(=O)Cc1occc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362245703 981480215 /nfs/dbraw/zinc/48/02/15/981480215.db2.gz MTWQGFIQAZJSIC-JTQLQIEISA-N -1 0 321.293 -0.278 20 0 DBADRM Cc1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)ncc1C(N)=O ZINC001362246877 981480763 /nfs/dbraw/zinc/48/07/63/981480763.db2.gz QVSSHAGCHIKROB-JTQLQIEISA-N -1 0 317.309 -0.784 20 0 DBADRM COC(=O)Cc1occc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001362245705 981481018 /nfs/dbraw/zinc/48/10/18/981481018.db2.gz MTWQGFIQAZJSIC-SNVBAGLBSA-N -1 0 321.293 -0.278 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC001362253165 981484073 /nfs/dbraw/zinc/48/40/73/981484073.db2.gz OSIQODQEUOSLAY-PELKAZGASA-N -1 0 314.367 -0.140 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)C(=O)CCCc1nnn[n-]1 ZINC001362253673 981484276 /nfs/dbraw/zinc/48/42/76/981484276.db2.gz LGYTVKXDLOEDHH-UHFFFAOYSA-N -1 0 303.388 -0.196 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001362282950 981495937 /nfs/dbraw/zinc/49/59/37/981495937.db2.gz GBSVJJQWUBUXBK-VIFPVBQESA-N -1 0 306.326 -0.134 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001362300706 981504169 /nfs/dbraw/zinc/50/41/69/981504169.db2.gz NIZYLCWOHGTBIO-SECBINFHSA-N -1 0 301.306 -0.531 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001362298817 981504647 /nfs/dbraw/zinc/50/46/47/981504647.db2.gz TUJWQZKVWQLZRB-ZJUUUORDSA-N -1 0 323.353 -0.261 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)nn1 ZINC001362306977 981507297 /nfs/dbraw/zinc/50/72/97/981507297.db2.gz AOLPLLQKMRKQOB-UWVGGRQHSA-N -1 0 320.357 -0.418 20 0 DBADRM CCO[C@@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@]12CCCO2 ZINC001362323050 981513315 /nfs/dbraw/zinc/51/33/15/981513315.db2.gz HDRCUZWKJSTBCQ-RWEMILLDSA-N -1 0 312.326 -0.468 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1COCCN1CC(F)F)c1nnn[n-]1 ZINC001362323862 981513506 /nfs/dbraw/zinc/51/35/06/981513506.db2.gz JUXFRVGSCDZKNY-IUCAKERBSA-N -1 0 318.328 -0.273 20 0 DBADRM C[C@@H](O)C[C@H]1COCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362327791 981514821 /nfs/dbraw/zinc/51/48/21/981514821.db2.gz UADASERHHIDHSG-SFYZADRCSA-N -1 0 302.356 -0.399 20 0 DBADRM COc1ccccc1CN(CCO)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362325572 981515117 /nfs/dbraw/zinc/51/51/17/981515117.db2.gz FMBAJGGSKNWTRQ-UHFFFAOYSA-N -1 0 320.305 -0.074 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NN1CCc2ccccc2C1=O ZINC001362336588 981519404 /nfs/dbraw/zinc/51/94/04/981519404.db2.gz BSYVBRCFDIOXFU-UHFFFAOYSA-N -1 0 303.278 -0.581 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOCC2(CCOCC2)C1 ZINC001362339298 981520590 /nfs/dbraw/zinc/52/05/90/981520590.db2.gz DRGWZGGQYDHYCU-UHFFFAOYSA-N -1 0 310.310 -0.448 20 0 DBADRM CCO[C@H](C(=O)Nc1n[nH]c(CC(=O)OC)n1)[C@@H]1CCOC1 ZINC001362342216 981522185 /nfs/dbraw/zinc/52/21/85/981522185.db2.gz XKEAJRUKMIKGKY-KCJUWKMLSA-N -1 0 312.326 -0.100 20 0 DBADRM O=C(NCc1nc(=O)o[n-]1)[C@@H]1COCCN1CC(F)(F)F ZINC001362344889 981522938 /nfs/dbraw/zinc/52/29/38/981522938.db2.gz BFSCKMKBPGFYML-LURJTMIESA-N -1 0 310.232 -0.758 20 0 DBADRM CCc1nc(C)ncc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001362345499 981524092 /nfs/dbraw/zinc/52/40/92/981524092.db2.gz HBKKKNGWRNZHLK-UHFFFAOYSA-N -1 0 314.367 -0.457 20 0 DBADRM CCOC(=O)N1CSC[C@@H]1C(=O)NCc1nc(=O)o[n-]1 ZINC001362347975 981524461 /nfs/dbraw/zinc/52/44/61/981524461.db2.gz MPZJQYQQLSDWDC-ZCFIWIBFSA-N -1 0 302.312 -0.490 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCNC(=O)[C@@H]1c1cccs1 ZINC001362352673 981526416 /nfs/dbraw/zinc/52/64/16/981526416.db2.gz USRRDLOFNKMHFJ-QMMMGPOBSA-N -1 0 321.318 -0.342 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c(=O)n1 ZINC001362361242 981530910 /nfs/dbraw/zinc/53/09/10/981530910.db2.gz XNLPAPDLYWSZGU-LLVKDONJSA-N -1 0 317.353 -0.221 20 0 DBADRM O=C(c1cn2c(n1)COCC2)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362359457 981530959 /nfs/dbraw/zinc/53/09/59/981530959.db2.gz UPDSYASAINUFBQ-VIFPVBQESA-N -1 0 303.326 -0.054 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCO[C@@]2(CCOC2)C1 ZINC001362365231 981531967 /nfs/dbraw/zinc/53/19/67/981531967.db2.gz JBEXNSGGHOJUBJ-NSHDSACASA-N -1 0 300.340 -0.380 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362368989 981533728 /nfs/dbraw/zinc/53/37/28/981533728.db2.gz QURYJZQZXVRTPT-NGZCFLSTSA-N -1 0 323.353 -0.418 20 0 DBADRM CN1C[C@H](NC(=O)c2ncc(Br)cc2[O-])C(=O)N1 ZINC001362369299 981534335 /nfs/dbraw/zinc/53/43/35/981534335.db2.gz KWGGERUDNOFENX-LURJTMIESA-N -1 0 315.127 -0.375 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC1(CO)CCOCC1 ZINC001362372596 981535676 /nfs/dbraw/zinc/53/56/76/981535676.db2.gz FTFGLSSNSCPZOG-UHFFFAOYSA-N -1 0 300.315 -0.873 20 0 DBADRM NC(=O)COc1cccc(CNC(=O)CCc2nnn[n-]2)c1 ZINC001362380667 981540551 /nfs/dbraw/zinc/54/05/51/981540551.db2.gz UGIQZTDOOPWCMO-UHFFFAOYSA-N -1 0 304.310 -0.687 20 0 DBADRM CCN(C(=O)c1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCNC1=O ZINC001362386334 981541447 /nfs/dbraw/zinc/54/14/47/981541447.db2.gz DNZBRZPVQSNFEY-SNVBAGLBSA-N -1 0 301.310 -0.388 20 0 DBADRM C[C@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C(=O)NCCF ZINC001362385074 981542439 /nfs/dbraw/zinc/54/24/39/981542439.db2.gz FBPNIVVZZDEUGM-QMMMGPOBSA-N -1 0 321.316 -0.721 20 0 DBADRM COCC[C@@H](CO)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362391455 981543284 /nfs/dbraw/zinc/54/32/84/981543284.db2.gz WBNRHPJMSHPOKR-JTQLQIEISA-N -1 0 322.321 -0.607 20 0 DBADRM O=C(C1=CCS(=O)(=O)C1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001362387890 981544137 /nfs/dbraw/zinc/54/41/37/981544137.db2.gz VNMUGYZYRWOXCD-MRVPVSSYSA-N -1 0 312.351 -0.429 20 0 DBADRM Cn1cc(Cl)c(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001362389975 981544359 /nfs/dbraw/zinc/54/43/59/981544359.db2.gz SKORSCRTZMETDG-UHFFFAOYSA-N -1 0 311.733 -0.290 20 0 DBADRM O=C(CCCn1ccnc1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362391688 981546170 /nfs/dbraw/zinc/54/61/70/981546170.db2.gz XEUWIJBKDSACAI-UHFFFAOYSA-N -1 0 305.342 -0.313 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCN(C2CC2)C(=O)C1 ZINC001362396962 981549017 /nfs/dbraw/zinc/54/90/17/981549017.db2.gz SBDPRSQYKQIZNR-UHFFFAOYSA-N -1 0 309.326 -0.697 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cn1 ZINC001362405193 981551902 /nfs/dbraw/zinc/55/19/02/981551902.db2.gz DSVXMYQRSXJRKU-SNVBAGLBSA-N -1 0 315.337 -0.358 20 0 DBADRM C[C@H](CNC(=O)OC(C)(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001362406921 981552743 /nfs/dbraw/zinc/55/27/43/981552743.db2.gz DWXAMGSDHKZOCL-SSDOTTSWSA-N -1 0 315.330 -0.281 20 0 DBADRM Cn1[nH]c([C@H]2CCCN2C(=O)CCCc2nnn[n-]2)nc1=N ZINC001362408759 981554387 /nfs/dbraw/zinc/55/43/87/981554387.db2.gz LYNMDUZPXCBYOJ-MRVPVSSYSA-N -1 0 305.346 -0.573 20 0 DBADRM O=C(C1=CCS(=O)(=O)C1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362411366 981557678 /nfs/dbraw/zinc/55/76/78/981557678.db2.gz UGFSULBFNUIIED-QMMMGPOBSA-N -1 0 315.380 -0.829 20 0 DBADRM O=C(NN1CCCNC1=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001362428011 981564233 /nfs/dbraw/zinc/56/42/33/981564233.db2.gz PEBMHAMYMDXDEN-UHFFFAOYSA-N -1 0 318.293 -0.674 20 0 DBADRM CN(C)Cc1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)o1 ZINC001362436668 981570494 /nfs/dbraw/zinc/57/04/94/981570494.db2.gz LQXCACTYQPFVQB-UHFFFAOYSA-N -1 0 320.353 -0.022 20 0 DBADRM C[C@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1cnn(C)c1 ZINC001362466046 981584482 /nfs/dbraw/zinc/58/44/82/981584482.db2.gz IZDLERRNGRLHCJ-SECBINFHSA-N -1 0 316.383 -0.504 20 0 DBADRM C[C@@H](CO[C@H]1CCOC1)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362465682 981584509 /nfs/dbraw/zinc/58/45/09/981584509.db2.gz CLLASVFXCTZKGO-YUMQZZPRSA-N -1 0 302.356 -0.087 20 0 DBADRM Cc1cn(C(C)(C)C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC001362471044 981587816 /nfs/dbraw/zinc/58/78/16/981587816.db2.gz WCHWYJWOYPWZIT-UHFFFAOYSA-N -1 0 316.383 -0.491 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC001362471276 981588352 /nfs/dbraw/zinc/58/83/52/981588352.db2.gz JUYONKGNOMEXFM-UWVGGRQHSA-N -1 0 313.383 -0.300 20 0 DBADRM O=C(CCc1nnn[n-]1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC001362471283 981588651 /nfs/dbraw/zinc/58/86/51/981588651.db2.gz JUYONKGNOMEXFM-ZJUUUORDSA-N -1 0 313.383 -0.300 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCS(=O)(=O)C[C@H]1C1CC1 ZINC001362475045 981589773 /nfs/dbraw/zinc/58/97/73/981589773.db2.gz PKRNFSGMBUWAEB-JTQLQIEISA-N -1 0 313.383 -0.442 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NCCc2nc(=O)o[n-]2)cn1 ZINC001362476113 981589844 /nfs/dbraw/zinc/58/98/44/981589844.db2.gz SGCNTBAVOPZCDJ-UHFFFAOYSA-N -1 0 312.307 -0.866 20 0 DBADRM CC[C@@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@H]1O ZINC001362478855 981591842 /nfs/dbraw/zinc/59/18/42/981591842.db2.gz BTFBLRSVNYUJOO-BXKDBHETSA-N -1 0 302.338 -0.082 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1cc2c([nH]c1=O)CCOC2 ZINC001362478364 981592439 /nfs/dbraw/zinc/59/24/39/981592439.db2.gz YPDJUPZNXPSRHU-UHFFFAOYSA-N -1 0 306.278 -0.491 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001362487571 981595897 /nfs/dbraw/zinc/59/58/97/981595897.db2.gz MCJPADIQVLUGNQ-VIFPVBQESA-N -1 0 318.337 -0.563 20 0 DBADRM COC(=O)CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)C1CC1 ZINC001362490447 981597268 /nfs/dbraw/zinc/59/72/68/981597268.db2.gz XEDXQXFNUNYVOC-UHFFFAOYSA-N -1 0 316.321 -0.148 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001362497579 981602363 /nfs/dbraw/zinc/60/23/63/981602363.db2.gz TVEWCYDGJMBTKZ-GDNZZTSVSA-N -1 0 316.317 -0.424 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCC1CS(=O)(=O)C1 ZINC001362498730 981602843 /nfs/dbraw/zinc/60/28/43/981602843.db2.gz FMKUQAVSNDFHGM-UHFFFAOYSA-N -1 0 318.355 -0.980 20 0 DBADRM COc1ccc([C@@H](O)CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001362501581 981603378 /nfs/dbraw/zinc/60/33/78/981603378.db2.gz BVZZXFQTLPOWCA-JTQLQIEISA-N -1 0 308.294 -0.452 20 0 DBADRM Cc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)ccc1N1CCNC1=O ZINC001362506533 981605709 /nfs/dbraw/zinc/60/57/09/981605709.db2.gz XNACNEJKMHZQPO-UHFFFAOYSA-N -1 0 318.293 -0.089 20 0 DBADRM O=C(NC[C@@]1(O)CCc2ccccc21)c1n[nH]c(=O)[n-]c1=O ZINC001362519652 981616354 /nfs/dbraw/zinc/61/63/54/981616354.db2.gz ZGXRVVBJJBSOBX-AWEZNQCLSA-N -1 0 302.290 -0.153 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCSC[C@H]1CCO ZINC001362520341 981622260 /nfs/dbraw/zinc/62/22/60/981622260.db2.gz MYXAASFLGVKULA-SSDOTTSWSA-N -1 0 304.397 -0.071 20 0 DBADRM Cc1nc(Cn2nnc(C(=O)[N-]N3CCCC3=O)c2C)no1 ZINC001362528662 981631346 /nfs/dbraw/zinc/63/13/46/981631346.db2.gz FBKWHTKVJMODGB-UHFFFAOYSA-N -1 0 305.298 -0.407 20 0 DBADRM CCO[C@@H]1COCC[C@H]1NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001362533737 981641648 /nfs/dbraw/zinc/64/16/48/981641648.db2.gz OQDCSEDDPXVWKC-HTQZYQBOSA-N -1 0 302.356 -0.087 20 0 DBADRM O=C(c1nc[n-]c(=O)c1Br)N1C[C@H](O)[C@@H](CO)C1 ZINC001362535453 981641808 /nfs/dbraw/zinc/64/18/08/981641808.db2.gz MACJTAPVSZKRPM-RITPCOANSA-N -1 0 318.127 -0.630 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@H]1CCCCS1(=O)=O ZINC001362537412 981644597 /nfs/dbraw/zinc/64/45/97/981644597.db2.gz QJROFJZGEABILD-SSDOTTSWSA-N -1 0 320.396 -0.314 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@@H]1CCCCS1(=O)=O ZINC001362537419 981646834 /nfs/dbraw/zinc/64/68/34/981646834.db2.gz QJROFJZGEABILD-ZETCQYMHSA-N -1 0 320.396 -0.314 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NC(C)(CO)CO)cc2=O)n1 ZINC001362544544 981656352 /nfs/dbraw/zinc/65/63/52/981656352.db2.gz MGVFOGBHARIUBX-UHFFFAOYSA-N -1 0 321.337 -0.954 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN[C@H](c2ccccc2)C1 ZINC001362555769 981672921 /nfs/dbraw/zinc/67/29/21/981672921.db2.gz QXRUGPOEESALRW-NSHDSACASA-N -1 0 303.322 -0.138 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(c2ccncn2)CC1 ZINC001362564073 981684816 /nfs/dbraw/zinc/68/48/16/981684816.db2.gz XTBKBXLCPPXUMV-UHFFFAOYSA-N -1 0 304.310 -0.115 20 0 DBADRM O=C(Cc1ccc(O)cc1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362565114 981690695 /nfs/dbraw/zinc/69/06/95/981690695.db2.gz ZMUMKLFENLPWAE-UHFFFAOYSA-N -1 0 303.322 -0.042 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1nccc2cccnc21 ZINC001362565891 981693537 /nfs/dbraw/zinc/69/35/37/981693537.db2.gz HOSJLLWHHKOPLA-UHFFFAOYSA-N -1 0 322.346 -0.175 20 0 DBADRM C[C@H]1OC(=O)N[C@@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001362580859 981722751 /nfs/dbraw/zinc/72/27/51/981722751.db2.gz LYZKSOIBWUWHQB-MUWHJKNJSA-N -1 0 304.266 -0.197 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCC1CS(=O)(=O)C1 ZINC001362587247 981728573 /nfs/dbraw/zinc/72/85/73/981728573.db2.gz CBFYZXVWNHUEPF-UHFFFAOYSA-N -1 0 306.369 -0.847 20 0 DBADRM Cn1nc(C(=O)N[C@@H](c2nc(=O)o[n-]2)C(C)(C)C)ccc1=O ZINC001362586491 981730851 /nfs/dbraw/zinc/73/08/51/981730851.db2.gz BKANYVJRBPNQGC-VIFPVBQESA-N -1 0 307.310 -0.026 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CCN1CC(F)(F)F ZINC001362600091 981743215 /nfs/dbraw/zinc/74/32/15/981743215.db2.gz GXCNSZFGINPCAK-ZETCQYMHSA-N -1 0 323.275 -0.216 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@H]1CCC2N=NC(=O)N2C1)c1nnn[n-]1 ZINC001362617636 981763700 /nfs/dbraw/zinc/76/37/00/981763700.db2.gz PPJVJCLVNJQUHJ-YUMQZZPRSA-N -1 0 306.330 -0.679 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H]1CCC2N=NC(=O)N2C1)c1nnn[n-]1 ZINC001362617634 981764356 /nfs/dbraw/zinc/76/43/56/981764356.db2.gz PPJVJCLVNJQUHJ-SFYZADRCSA-N -1 0 306.330 -0.679 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1)c1nnn[n-]1 ZINC001362617633 981764374 /nfs/dbraw/zinc/76/43/74/981764374.db2.gz PPJVJCLVNJQUHJ-JGVFFNPUSA-N -1 0 306.330 -0.679 20 0 DBADRM COC(=O)[C@H](Cc1ccccc1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001362626834 981771458 /nfs/dbraw/zinc/77/14/58/981771458.db2.gz JUPUSEYGCYAJTR-VIFPVBQESA-N -1 0 318.289 -0.203 20 0 DBADRM CCC(CC)(NC(=O)[C@@H]1CCc2nnnn2CC1)c1nnn[n-]1 ZINC001362627897 981773056 /nfs/dbraw/zinc/77/30/56/981773056.db2.gz XNTSFVYTOQLZOU-SECBINFHSA-N -1 0 319.373 -0.030 20 0 DBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnc2cc[nH]c2c1 ZINC001362641319 981787219 /nfs/dbraw/zinc/78/72/19/981787219.db2.gz AXWWVNMRJXGITK-UHFFFAOYSA-N -1 0 310.335 -0.241 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NCc1nc(C)cc(=O)[nH]1 ZINC001362640199 981788238 /nfs/dbraw/zinc/78/82/38/981788238.db2.gz PJBAJPXRBIFLJW-UHFFFAOYSA-N -1 0 302.356 -0.612 20 0 DBADRM Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2c[n-]ncc2=O)cn1 ZINC001362644111 981790546 /nfs/dbraw/zinc/79/05/46/981790546.db2.gz KAXWYIFVQHGKQX-KPWVOAKYSA-N -1 0 321.362 -0.139 20 0 DBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](O)Cc1ccccc1 ZINC001362646284 981794640 /nfs/dbraw/zinc/79/46/40/981794640.db2.gz DZRFFJMELVXJCP-MWLCHTKSSA-N -1 0 306.322 -0.202 20 0 DBADRM Cn1cc([C@H]2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)CCO2)cn1 ZINC001362649452 981798369 /nfs/dbraw/zinc/79/83/69/981798369.db2.gz OHLNNNKPIWWUSY-VHSXEESVSA-N -1 0 322.325 -0.541 20 0 DBADRM Cn1cc([C@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)CCO2)cn1 ZINC001362649445 981798544 /nfs/dbraw/zinc/79/85/44/981798544.db2.gz OHLNNNKPIWWUSY-NXEZZACHSA-N -1 0 322.325 -0.541 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cc[nH]c(=O)c1Br ZINC001362652497 981800395 /nfs/dbraw/zinc/80/03/95/981800395.db2.gz BDMCCAKPHMYAEN-UHFFFAOYSA-N -1 0 316.071 -0.064 20 0 DBADRM COC[C@H](CO)NC(=O)c1nc[n-]c(=O)c1Br ZINC001362666219 981808025 /nfs/dbraw/zinc/80/80/25/981808025.db2.gz FPROQXHOJQECHE-YFKPBYRVSA-N -1 0 306.116 -0.318 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NC[C@H]3COCO3)cc2=O)n1 ZINC001362703675 981832594 /nfs/dbraw/zinc/83/25/94/981832594.db2.gz RXQLAEFXIHYOPU-JTQLQIEISA-N -1 0 319.321 -0.325 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC(N2CCOC2=O)CC1 ZINC001362707040 981834065 /nfs/dbraw/zinc/83/40/65/981834065.db2.gz ORFUAAHFPHZUFG-UHFFFAOYSA-N -1 0 308.342 -0.034 20 0 DBADRM C[S@@](=O)C1(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001362714534 981840408 /nfs/dbraw/zinc/84/04/08/981840408.db2.gz BPQYUFXDYLVOPW-HXUWFJFHSA-N -1 0 302.356 -0.503 20 0 DBADRM Cn1nc2c(c1C(=O)N1CCC(O)(c3nnn[n-]3)CC1)CCC2 ZINC001362721688 981845783 /nfs/dbraw/zinc/84/57/83/981845783.db2.gz DSSTVMHPNLBHEM-UHFFFAOYSA-N -1 0 317.353 -0.454 20 0 DBADRM Cc1cc(S(N)(=O)=O)cc(C(=O)N(C)c2nnn[n-]2)c1C ZINC001362720391 981846233 /nfs/dbraw/zinc/84/62/33/981846233.db2.gz QAVXSAZGQGHNCM-UHFFFAOYSA-N -1 0 310.339 -0.259 20 0 DBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)Nn1cnnc1 ZINC001362723262 981847597 /nfs/dbraw/zinc/84/75/97/981847597.db2.gz CGEHJNLOAMEHNC-UHFFFAOYSA-N -1 0 317.277 -0.395 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001362722813 981848275 /nfs/dbraw/zinc/84/82/75/981848275.db2.gz IENFGYDGDYJIJJ-QMMMGPOBSA-N -1 0 318.355 -0.885 20 0 DBADRM CO[C@]1(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CCSC1 ZINC001362726648 981849660 /nfs/dbraw/zinc/84/96/60/981849660.db2.gz BMMSDFZCJNJATB-GFCCVEGCSA-N -1 0 313.383 -0.468 20 0 DBADRM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362731372 981854576 /nfs/dbraw/zinc/85/45/76/981854576.db2.gz MIKOKVMBHDYHQR-NSHDSACASA-N -1 0 324.385 -0.440 20 0 DBADRM CC(C)n1ncc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c1N ZINC001362732421 981854944 /nfs/dbraw/zinc/85/49/44/981854944.db2.gz RRDSIUCYQDWGHH-UHFFFAOYSA-N -1 0 320.357 -0.317 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001362733630 981855689 /nfs/dbraw/zinc/85/56/89/981855689.db2.gz XYCLNZQCPGVXLY-SECBINFHSA-N -1 0 308.342 -0.932 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001362733833 981857515 /nfs/dbraw/zinc/85/75/15/981857515.db2.gz ZYNUWKPWISSOFG-CQSZACIVSA-N -1 0 322.296 -0.052 20 0 DBADRM NC(=O)[C@@H](F)C1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001362739547 981859483 /nfs/dbraw/zinc/85/94/83/981859483.db2.gz SSGJATGNTFOINY-NSHDSACASA-N -1 0 321.312 -0.302 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)NCCc2nc(=O)o[n-]2)s1 ZINC001362746594 981862429 /nfs/dbraw/zinc/86/24/29/981862429.db2.gz BUEMDYAQWPZCKI-UHFFFAOYSA-N -1 0 317.348 -0.200 20 0 DBADRM CS(=O)(=O)[C@H]1CCCCN(C(=O)CCCc2nnn[n-]2)C1 ZINC001362750661 981864478 /nfs/dbraw/zinc/86/44/78/981864478.db2.gz XYRRYBJORLXSBV-JTQLQIEISA-N -1 0 315.399 -0.052 20 0 DBADRM CN1CCC2(CCN(C(=O)CCCc3nnn[n-]3)CC2)C1=O ZINC001362762764 981874155 /nfs/dbraw/zinc/87/41/55/981874155.db2.gz YERCTILQNXYHPL-UHFFFAOYSA-N -1 0 306.370 -0.007 20 0 DBADRM COC(=O)CC[C@@H]1CC[C@H](C(=O)NCCc2nc(=O)o[n-]2)O1 ZINC001362774158 981878588 /nfs/dbraw/zinc/87/85/88/981878588.db2.gz NKRXZFFTFSLGHC-DTWKUNHWSA-N -1 0 313.310 -0.478 20 0 DBADRM CCS(=O)(=O)C1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001362776807 981880620 /nfs/dbraw/zinc/88/06/20/981880620.db2.gz GEUFNAAMSFJWQO-UHFFFAOYSA-N -1 0 301.372 -0.442 20 0 DBADRM Cn1cc(C(F)F)c(CNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001362791236 981889134 /nfs/dbraw/zinc/88/91/34/981889134.db2.gz KGYIGNIFLJMXNS-UHFFFAOYSA-N -1 0 300.225 -0.116 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)N3CC[C@H](c4nnn[n-]4)C3)nc2C1 ZINC001362806178 981901373 /nfs/dbraw/zinc/90/13/73/981901373.db2.gz KBJCINUPWAVSJI-UWVGGRQHSA-N -1 0 317.353 -0.013 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001362811319 981906520 /nfs/dbraw/zinc/90/65/20/981906520.db2.gz VAULYTFFIPTTHC-UHFFFAOYSA-N -1 0 319.325 -0.593 20 0 DBADRM COCCn1cc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)ccc1=O ZINC001362824262 981916897 /nfs/dbraw/zinc/91/68/97/981916897.db2.gz WOSJUYJLSZJRQK-JTQLQIEISA-N -1 0 318.337 -0.363 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1CC[C@H](c3nnn[n-]3)C1)CC2 ZINC001362822169 981918304 /nfs/dbraw/zinc/91/83/04/981918304.db2.gz KVYOZAHTDSKFSC-IUCAKERBSA-N -1 0 302.342 -0.551 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CCOc1cccc(C(N)=O)c1 ZINC001362841650 981935168 /nfs/dbraw/zinc/93/51/68/981935168.db2.gz RTPMJAMKXMWXGM-UHFFFAOYSA-N -1 0 320.305 -0.111 20 0 DBADRM O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1cccc(F)c1[O-] ZINC001362854525 981947182 /nfs/dbraw/zinc/94/71/82/981947182.db2.gz SEGKHWJMQREHBA-GFCCVEGCSA-N -1 0 303.311 -0.189 20 0 DBADRM CC(=O)C[C@H]1COCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001362891906 981976712 /nfs/dbraw/zinc/97/67/12/981976712.db2.gz IOSOAENMBJQELS-JTQLQIEISA-N -1 0 312.326 -0.324 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@]1(CO)CCc2ccccc21 ZINC001362897889 981980905 /nfs/dbraw/zinc/98/09/05/981980905.db2.gz IAFKOJSOHVDALX-HNNXBMFYSA-N -1 0 318.333 -0.318 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CCc2nncn2CC1)c1nnn[n-]1 ZINC001362899290 981981588 /nfs/dbraw/zinc/98/15/88/981981588.db2.gz LYQWNZSLDLWEOK-DTWKUNHWSA-N -1 0 306.330 -0.752 20 0 DBADRM C[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC[S@]1=O ZINC001362898114 981981835 /nfs/dbraw/zinc/98/18/35/981981835.db2.gz GROTWKVVAARANH-JLTPVHFHSA-N -1 0 316.383 -0.161 20 0 DBADRM C[C@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)[C@@H]1CO ZINC001362920905 982003068 /nfs/dbraw/zinc/00/30/68/982003068.db2.gz HGGDHXYUBBQSLA-JOYOIKCWSA-N -1 0 302.338 -0.082 20 0 DBADRM COC(=O)[C@H](Cc1ccncc1)NC(=O)CCc1nnn[n-]1 ZINC001362927219 982007764 /nfs/dbraw/zinc/00/77/64/982007764.db2.gz CSMLNIHXKQTZHD-JTQLQIEISA-N -1 0 304.310 -0.572 20 0 DBADRM COC(=O)[C@H](NC(=O)CCCc1nnn[n-]1)c1ccnn1C ZINC001362931360 982009476 /nfs/dbraw/zinc/00/94/76/982009476.db2.gz IRYINEVQFXKAIN-LLVKDONJSA-N -1 0 307.314 -0.714 20 0 DBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1C[C@@H]2C[C@]2(CO)C1 ZINC001362934714 982012921 /nfs/dbraw/zinc/01/29/21/982012921.db2.gz DCKHQGXMZLQXKO-ZUZCIYMTSA-N -1 0 316.317 -0.279 20 0 DBADRM Cn1cnnc1CC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001362942166 982016714 /nfs/dbraw/zinc/01/67/14/982016714.db2.gz CFJUSSAUUKPEID-UHFFFAOYSA-N -1 0 321.341 -0.701 20 0 DBADRM CC(C)(C)[C@H](NC(=O)[C@@H]1CSCC(=O)N1)c1nc(=O)o[n-]1 ZINC001362943312 982018421 /nfs/dbraw/zinc/01/84/21/982018421.db2.gz XRVGWLKTBNNOPR-POYBYMJQSA-N -1 0 314.367 -0.202 20 0 DBADRM CCN1CCC[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1=O ZINC001362951197 982022835 /nfs/dbraw/zinc/02/28/35/982022835.db2.gz FVYOWJGELMUZLF-SECBINFHSA-N -1 0 311.342 -0.403 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC2=C(CCC(=O)N2)C1 ZINC001362950526 982023597 /nfs/dbraw/zinc/02/35/97/982023597.db2.gz XQVRBPRIGJDGTN-UHFFFAOYSA-N -1 0 321.337 -0.134 20 0 DBADRM CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001362959245 982026799 /nfs/dbraw/zinc/02/67/99/982026799.db2.gz VAXMUWRZGUZAGR-OPRDCNLKSA-N -1 0 314.342 -0.628 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)NCC2N=NC(=O)N2C)cc1=O ZINC001362961691 982029476 /nfs/dbraw/zinc/02/94/76/982029476.db2.gz NNEGTOQXBLYMHM-UHFFFAOYSA-N -1 0 308.342 -0.475 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC[C@H](n2cncn2)C1 ZINC001362966507 982035161 /nfs/dbraw/zinc/03/51/61/982035161.db2.gz ATUFSZMOCPHIKG-VIFPVBQESA-N -1 0 307.314 -0.465 20 0 DBADRM COC[C@@]1(CO)CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001362981764 982043895 /nfs/dbraw/zinc/04/38/95/982043895.db2.gz QESSKFPULXCWQK-NSHDSACASA-N -1 0 302.356 -0.540 20 0 DBADRM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)CCc3nnn[n-]3)[C@@H]2C1 ZINC001362982571 982045180 /nfs/dbraw/zinc/04/51/80/982045180.db2.gz RJZMVTLYPHABQX-QJPTWQEYSA-N -1 0 306.370 -0.105 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)[C@@H](C)S(C)(=O)=O ZINC001362995305 982054454 /nfs/dbraw/zinc/05/44/54/982054454.db2.gz RDZSUPSSQOSJRK-IVZWLZJFSA-N -1 0 315.399 -0.025 20 0 DBADRM CNc1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)nc1 ZINC001363031177 982086939 /nfs/dbraw/zinc/08/69/39/982086939.db2.gz WZAHGVGEZWILSY-UHFFFAOYSA-N -1 0 303.326 -0.240 20 0 DBADRM CO[C@@H]1CCn2cc(C(=O)NCc3nc([O-])cc(=O)[nH]3)nc2C1 ZINC001363036284 982088882 /nfs/dbraw/zinc/08/88/82/982088882.db2.gz GNVQGUIQVNTSGG-MRVPVSSYSA-N -1 0 319.321 -0.025 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001363038400 982090245 /nfs/dbraw/zinc/09/02/45/982090245.db2.gz MFSVYFSTTASUPW-BGZDPUMWSA-N -1 0 310.310 -0.607 20 0 DBADRM CN=[S@](C)(=O)CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363039515 982091621 /nfs/dbraw/zinc/09/16/21/982091621.db2.gz YLXUIDXDMXAQEV-HXUWFJFHSA-N -1 0 305.360 -0.687 20 0 DBADRM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)c2cc(=O)n(C)[n-]2)C1 ZINC001363044363 982095833 /nfs/dbraw/zinc/09/58/33/982095833.db2.gz RGQYOTMQWWWSJW-PSASIEDQSA-N -1 0 312.326 -0.695 20 0 DBADRM NC(=O)N1CCC[C@H]1C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC001363048689 982099086 /nfs/dbraw/zinc/09/90/86/982099086.db2.gz DYHYIBIXIILWQQ-WDEREUQCSA-N -1 0 315.337 -0.052 20 0 DBADRM O=C(CCc1nnn[n-]1)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC001363057246 982105788 /nfs/dbraw/zinc/10/57/88/982105788.db2.gz UZUMRCXDHFONHY-ZWNOBZJWSA-N -1 0 309.370 -0.184 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H](O)[C@H](C)O ZINC001363058368 982108324 /nfs/dbraw/zinc/10/83/24/982108324.db2.gz JLSSXJPUDLALLH-JOYOIKCWSA-N -1 0 316.379 -0.080 20 0 DBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001363062533 982110890 /nfs/dbraw/zinc/11/08/90/982110890.db2.gz ADNFBSOTVZLOLM-PSASIEDQSA-N -1 0 320.305 -0.749 20 0 DBADRM C[C@H](CC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1)NC(N)=O ZINC001363061596 982111106 /nfs/dbraw/zinc/11/11/06/982111106.db2.gz UPMIFTOLVBQPOQ-LDYMZIIASA-N -1 0 303.326 -0.148 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001363077845 982120032 /nfs/dbraw/zinc/12/00/32/982120032.db2.gz QFBQYLYMLLCBMD-HORACTTISA-N -1 0 316.383 -0.163 20 0 DBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CCN1c1cnccn1 ZINC001363078012 982120512 /nfs/dbraw/zinc/12/05/12/982120512.db2.gz KWXWLUFGSREGAE-SECBINFHSA-N -1 0 319.325 -0.783 20 0 DBADRM COC[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)[C@@H]1CCCO1 ZINC001363087633 982125469 /nfs/dbraw/zinc/12/54/69/982125469.db2.gz AVTPPGNKKPMELN-ZJUUUORDSA-N -1 0 314.342 -0.220 20 0 DBADRM CSCC[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)c1nnn[n-]1 ZINC001363098354 982135565 /nfs/dbraw/zinc/13/55/65/982135565.db2.gz FXFHIZYGRHHWRH-BDAKNGLRSA-N -1 0 312.399 -0.022 20 0 DBADRM Cn1cc([C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C(F)(F)F)cn1 ZINC001363101706 982139281 /nfs/dbraw/zinc/13/92/81/982139281.db2.gz CJUAMKFFVTVUSS-SSDOTTSWSA-N -1 0 320.231 -0.157 20 0 DBADRM COC[C@@H](CO)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001363103855 982139511 /nfs/dbraw/zinc/13/95/11/982139511.db2.gz GCUADHPXXNHXBL-SECBINFHSA-N -1 0 308.294 -0.997 20 0 DBADRM Cn1cc(C[C@@H](CO)NC(=O)CSc2n[nH]c(=O)[n-]2)cn1 ZINC001363102372 982139986 /nfs/dbraw/zinc/13/99/86/982139986.db2.gz VECDYWXIHFCJIO-QMMMGPOBSA-N -1 0 312.355 -0.944 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363115769 982149269 /nfs/dbraw/zinc/14/92/69/982149269.db2.gz FENDPEKAGWVTDC-HBNTYKKESA-N -1 0 311.342 -0.316 20 0 DBADRM O=C(C1=CS(=O)(=O)CCC1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363117171 982149420 /nfs/dbraw/zinc/14/94/20/982149420.db2.gz RRXGZXJOLFAWFZ-VIFPVBQESA-N -1 0 313.339 -0.808 20 0 DBADRM CCO[C@H](C(=O)N1CCOC[C@H]1c1nnn[n-]1)[C@@H]1CCOC1 ZINC001363117443 982149803 /nfs/dbraw/zinc/14/98/03/982149803.db2.gz WZSTYTJDKPWHIL-VWYCJHECSA-N -1 0 311.342 -0.459 20 0 DBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363115765 982150466 /nfs/dbraw/zinc/15/04/66/982150466.db2.gz FENDPEKAGWVTDC-GARJFASQSA-N -1 0 311.342 -0.316 20 0 DBADRM CC1(C(=O)N2CC(CNC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001530845150 1014807046 /nfs/dbraw/zinc/80/70/46/1014807046.db2.gz IXBFTSRFHYSTBE-UHFFFAOYSA-N -1 0 309.326 -0.936 20 0 DBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1nc([O-])cc(=O)[nH]1)CS2 ZINC001363153380 982183348 /nfs/dbraw/zinc/18/33/48/982183348.db2.gz UWGYSFFXWQEUSS-UHLUBPPHSA-N -1 0 324.362 -0.042 20 0 DBADRM C[C@H](O)[C@@H](O)CNC(=O)c1nc[n-]c(=O)c1Br ZINC001363164488 982190489 /nfs/dbraw/zinc/19/04/89/982190489.db2.gz BECXOCYVAKJQDQ-WHFBIAKZSA-N -1 0 306.116 -0.584 20 0 DBADRM CC[C@@H]1CN(C(=O)CCc2nnn[n-]2)C[C@@H](C)S1(=O)=O ZINC001363170732 982194994 /nfs/dbraw/zinc/19/49/94/982194994.db2.gz BAWLYJKGVDUGFM-RKDXNWHRSA-N -1 0 301.372 -0.444 20 0 DBADRM CC[C@H]1CN(C(=O)CCc2nnn[n-]2)C[C@H](C)S1(=O)=O ZINC001363170726 982195245 /nfs/dbraw/zinc/19/52/45/982195245.db2.gz BAWLYJKGVDUGFM-IUCAKERBSA-N -1 0 301.372 -0.444 20 0 DBADRM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccc(Cl)c([O-])c1 ZINC001363186820 982208650 /nfs/dbraw/zinc/20/86/50/982208650.db2.gz NEKPLMVAMQFBLW-PSASIEDQSA-N -1 0 305.739 -0.067 20 0 DBADRM O=C(Cn1cc(C2CC2)cn1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363205268 982222508 /nfs/dbraw/zinc/22/25/08/982222508.db2.gz RLMOMPMUWZAAQZ-LLVKDONJSA-N -1 0 303.326 -0.126 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC001363209883 982228226 /nfs/dbraw/zinc/22/82/26/982228226.db2.gz USJMIUUSAYCKMB-BXKDBHETSA-N -1 0 308.342 -0.972 20 0 DBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1COC[C@@H]1O ZINC001363215676 982230281 /nfs/dbraw/zinc/23/02/81/982230281.db2.gz LCMYCDMZCIMKOV-NEPJUHHUSA-N -1 0 314.363 -0.062 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)N3CC[C@H](c4nnn[n-]4)C3)C2)cn1 ZINC001363215265 982230534 /nfs/dbraw/zinc/23/05/34/982230534.db2.gz CLLUDDPYNJHSQV-GZMMTYOYSA-N -1 0 316.325 -0.558 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)N3CC[C@@H](c4nnn[n-]4)C3)C2)cn1 ZINC001363215276 982230614 /nfs/dbraw/zinc/23/06/14/982230614.db2.gz CLLUDDPYNJHSQV-LDYMZIIASA-N -1 0 316.325 -0.558 20 0 DBADRM O=C(CCc1nnn[n-]1)NCCS(=O)(=O)CC(F)(F)F ZINC001363218255 982233335 /nfs/dbraw/zinc/23/33/35/982233335.db2.gz KKCYNFPSXZLOOG-UHFFFAOYSA-N -1 0 315.277 -0.774 20 0 DBADRM CN1C(=O)c2ccccc2[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363248594 982261566 /nfs/dbraw/zinc/26/15/66/982261566.db2.gz DYCCNCZALNOROB-JTQLQIEISA-N -1 0 317.305 -0.368 20 0 DBADRM CN(C)c1nc(N)nc(CN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC001363247920 982264417 /nfs/dbraw/zinc/26/44/17/982264417.db2.gz JIOYEFKIRZTORB-QMMMGPOBSA-N -1 0 319.373 -0.277 20 0 DBADRM O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1cc(F)cc(F)c1[O-] ZINC001363250292 982266835 /nfs/dbraw/zinc/26/68/35/982266835.db2.gz CBXZHLUPHNPUCU-GFCCVEGCSA-N -1 0 321.301 -0.050 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN(C)C[C@@H]1COCCO1)C(=O)[O-] ZINC001594887597 982273061 /nfs/dbraw/zinc/27/30/61/982273061.db2.gz RKTRAXPGSNEBNJ-LOWVWBTDSA-N -1 0 302.371 -0.051 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(CCO)C[C@@H]1C)C(=O)[O-] ZINC001594893175 982301004 /nfs/dbraw/zinc/30/10/04/982301004.db2.gz GXLHVYPOEMTPCV-SGMGOOAPSA-N -1 0 315.414 -0.400 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(CCO)C[C@H]1C)C(=O)[O-] ZINC001594893169 982301423 /nfs/dbraw/zinc/30/14/23/982301423.db2.gz GXLHVYPOEMTPCV-OUCADQQQSA-N -1 0 315.414 -0.400 20 0 DBADRM CSCC[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)c1nnn[n-]1 ZINC001363281301 982302827 /nfs/dbraw/zinc/30/28/27/982302827.db2.gz WDARNTSEQATTLS-SFYZADRCSA-N -1 0 321.428 -0.209 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001363281383 982303298 /nfs/dbraw/zinc/30/32/98/982303298.db2.gz HAZAWQXXVNJULF-QMMMGPOBSA-N -1 0 301.372 -0.414 20 0 DBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCN(C(=O)C2CC2)C1 ZINC001531018542 1014825059 /nfs/dbraw/zinc/82/50/59/1014825059.db2.gz KLPWFCIPBGQCDH-JTQLQIEISA-N -1 0 323.353 -0.451 20 0 DBADRM CC[C@@H](CNC(=O)C1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001531036470 1014825702 /nfs/dbraw/zinc/82/57/02/1014825702.db2.gz KSZBWHBXDWCTPN-VIFPVBQESA-N -1 0 308.338 -0.480 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC001363295831 982321507 /nfs/dbraw/zinc/32/15/07/982321507.db2.gz KWBMGMZZFPTXLM-SNVBAGLBSA-N -1 0 323.353 -0.261 20 0 DBADRM O=C(c1cn(C2CCOCC2)nn1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363317192 982335797 /nfs/dbraw/zinc/33/57/97/982335797.db2.gz JZQPFLCCCIZLTF-VIFPVBQESA-N -1 0 318.341 -0.228 20 0 DBADRM CN(C(=O)Cc1csc(N2CCOCC2)n1)c1nnn[n-]1 ZINC001363329841 982347161 /nfs/dbraw/zinc/34/71/61/982347161.db2.gz VRJQBJWXIBITNE-UHFFFAOYSA-N -1 0 309.355 -0.302 20 0 DBADRM COC(=O)[C@H](Cc1cncs1)NC(=O)CCCc1nnn[n-]1 ZINC001363335216 982349384 /nfs/dbraw/zinc/34/93/84/982349384.db2.gz RATUBRUQAMOKIL-VIFPVBQESA-N -1 0 324.366 -0.121 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC(F)(F)[C@H](CO)C1 ZINC001363340540 982352591 /nfs/dbraw/zinc/35/25/91/982352591.db2.gz LOFUXMYTODCUGV-QMMMGPOBSA-N -1 0 320.296 -0.054 20 0 DBADRM CS(=O)(=O)C1(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)CC1 ZINC001363346058 982354360 /nfs/dbraw/zinc/35/43/60/982354360.db2.gz UWXCPAPTRBFHNE-JTQLQIEISA-N -1 0 321.362 -0.018 20 0 DBADRM CN1C[C@@H](C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)NC1=O ZINC001363343717 982355182 /nfs/dbraw/zinc/35/51/82/982355182.db2.gz IMHFMYVOVPINFH-UWVGGRQHSA-N -1 0 301.310 -0.571 20 0 DBADRM CCOC(=O)c1n[nH]nc1[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001363348828 982356163 /nfs/dbraw/zinc/35/61/63/982356163.db2.gz GVWLOKBZNFUOFL-BDAKNGLRSA-N -1 0 321.337 -0.077 20 0 DBADRM Cn1nnc(Br)c1C(=O)[N-]n1ccc(=O)[nH]c1=O ZINC001363347942 982357118 /nfs/dbraw/zinc/35/71/18/982357118.db2.gz UAEALKXOOPOQET-UHFFFAOYSA-N -1 0 315.087 -0.776 20 0 DBADRM O=C(C1=CCS(=O)(=O)C1)N1CCC(Cc2nn[nH]n2)CC1 ZINC001363377395 982372207 /nfs/dbraw/zinc/37/22/07/982372207.db2.gz INKVXIPCEZPFQK-UHFFFAOYSA-N -1 0 311.367 -0.664 20 0 DBADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001363383780 982376878 /nfs/dbraw/zinc/37/68/78/982376878.db2.gz DVMUBEFNDDXLKA-RKDXNWHRSA-N -1 0 318.289 -0.342 20 0 DBADRM NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363383774 982377214 /nfs/dbraw/zinc/37/72/14/982377214.db2.gz MQCAKBWPKMYJNO-JTQLQIEISA-N -1 0 317.305 -0.872 20 0 DBADRM CC(C)(C)n1cc(CNC(=O)CCc2nnn[n-]2)c(=O)[nH]c1=O ZINC001363389764 982383802 /nfs/dbraw/zinc/38/38/02/982383802.db2.gz ONGZSIYAVILEFW-UHFFFAOYSA-N -1 0 321.341 -0.534 20 0 DBADRM CC(=O)c1cn(CC(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)nn1 ZINC001363394631 982386145 /nfs/dbraw/zinc/38/61/45/982386145.db2.gz BCDCFOVUAUPSMD-JTQLQIEISA-N -1 0 318.341 -0.525 20 0 DBADRM Cc1cc(=O)[nH]c(N2CCC[C@@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001363397000 982388576 /nfs/dbraw/zinc/38/85/76/982388576.db2.gz BQTRRDWOEWOKAQ-SNVBAGLBSA-N -1 0 318.341 -0.738 20 0 DBADRM COC[C@H](NC(=O)C1CCN(C(=O)OC)CC1)c1nnn[n-]1 ZINC001363408101 982396514 /nfs/dbraw/zinc/39/65/14/982396514.db2.gz BKFXYOYQKPZKCU-VIFPVBQESA-N -1 0 312.330 -0.518 20 0 DBADRM COC(=O)N(C)CCCC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363410668 982396669 /nfs/dbraw/zinc/39/66/69/982396669.db2.gz MGCFAAXEVASEAB-VIFPVBQESA-N -1 0 312.330 -0.422 20 0 DBADRM COC(=O)N(C)CCCC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363410662 982396694 /nfs/dbraw/zinc/39/66/94/982396694.db2.gz MGCFAAXEVASEAB-SECBINFHSA-N -1 0 312.330 -0.422 20 0 DBADRM COC[C@@H](NC(=O)[C@H](O)c1cccc(OC)c1)c1nnn[n-]1 ZINC001363409298 982396745 /nfs/dbraw/zinc/39/67/45/982396745.db2.gz BRIRLVWMTWGMPU-GHMZBOCLSA-N -1 0 307.310 -0.254 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)nc1 ZINC001363413103 982398977 /nfs/dbraw/zinc/39/89/77/982398977.db2.gz ZCXHIOJAEARNGC-JTQLQIEISA-N -1 0 318.293 -0.405 20 0 DBADRM COC[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCCO1)c1nnn[n-]1 ZINC001363412319 982399110 /nfs/dbraw/zinc/39/91/10/982399110.db2.gz IVFWWKIKHHDDRI-VWYCJHECSA-N -1 0 313.358 -0.022 20 0 DBADRM CN1CC[C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)CC1=O ZINC001363430817 982406411 /nfs/dbraw/zinc/40/64/11/982406411.db2.gz HVXAGCRGJUYQSZ-SECBINFHSA-N -1 0 303.322 -0.379 20 0 DBADRM C[C@H](O)[C@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CCO1 ZINC001363443554 982415659 /nfs/dbraw/zinc/41/56/59/982415659.db2.gz OSVOBZOMTXKHOM-DTWKUNHWSA-N -1 0 300.315 -0.922 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1CC(c2ccccn2)=NO1 ZINC001363454529 982427900 /nfs/dbraw/zinc/42/79/00/982427900.db2.gz XEEOQPQGHNWPMX-SNVBAGLBSA-N -1 0 303.278 -0.091 20 0 DBADRM CC(C)(C)[C@H](NC(=O)C1CS(=O)(=O)C1)c1nc(=O)o[n-]1 ZINC001363458015 982429939 /nfs/dbraw/zinc/42/99/39/982429939.db2.gz JBSAEEWGKBCFGZ-SSDOTTSWSA-N -1 0 303.340 -0.389 20 0 DBADRM CS(=O)(=O)CC1(CCNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001363472743 982438990 /nfs/dbraw/zinc/43/89/90/982438990.db2.gz BNGPYLJAMQXGQI-UHFFFAOYSA-N -1 0 318.355 -0.980 20 0 DBADRM CSCC[C@H](NC(=O)CN(C)C(=O)C1CC1)c1nnn[n-]1 ZINC001363489181 982452700 /nfs/dbraw/zinc/45/27/00/982452700.db2.gz CFAGADLLAHAFAQ-VIFPVBQESA-N -1 0 312.399 -0.022 20 0 DBADRM O=C(C[C@H]1CCNC1=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001363495523 982457796 /nfs/dbraw/zinc/45/77/96/982457796.db2.gz LMDNZFYMFCYQOT-PWSUYJOCSA-N -1 0 300.322 -0.069 20 0 DBADRM O=C(c1cc2n(n1)CCCO2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363512400 982475116 /nfs/dbraw/zinc/47/51/16/982475116.db2.gz MYDSXENGXFTCMY-VIFPVBQESA-N -1 0 305.298 -0.608 20 0 DBADRM O=C(c1cccn(C2CC2)c1=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363514729 982478023 /nfs/dbraw/zinc/47/80/23/982478023.db2.gz UHAOOUZNPKGTDC-LLVKDONJSA-N -1 0 316.321 -0.090 20 0 DBADRM O=C(c1ccc2c(n1)OCCO2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363514283 982478429 /nfs/dbraw/zinc/47/84/29/982478429.db2.gz SQKNFASSIHHXEA-SECBINFHSA-N -1 0 318.293 -0.420 20 0 DBADRM Cc1n[nH]cc1CN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001363516903 982479580 /nfs/dbraw/zinc/47/95/80/982479580.db2.gz ZUEZKKDHNWROFG-UHFFFAOYSA-N -1 0 301.310 -0.239 20 0 DBADRM O=C(c1ncc2n1CCCC2)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363515334 982480156 /nfs/dbraw/zinc/48/01/56/982480156.db2.gz ZQBUNBYQRHSPDQ-SNVBAGLBSA-N -1 0 303.326 -0.054 20 0 DBADRM O=C(CNC(=O)C1CC1)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001363530778 982489701 /nfs/dbraw/zinc/48/97/01/982489701.db2.gz RPJLCIYBCLEXFZ-UHFFFAOYSA-N -1 0 306.322 -0.603 20 0 DBADRM CSCC[C@H](NC(=O)[C@@]1(O)CCSC1)c1nnn[n-]1 ZINC001363536338 982493654 /nfs/dbraw/zinc/49/36/54/982493654.db2.gz OMNTVQJGHFQIKQ-OIBJUYFYSA-N -1 0 303.413 -0.022 20 0 DBADRM COCCn1cc(C(=O)N(Cc2nnn[n-]2)CC(C)C)nn1 ZINC001363540941 982496165 /nfs/dbraw/zinc/49/61/65/982496165.db2.gz BKRCVAYAEUNSBG-UHFFFAOYSA-N -1 0 308.346 -0.264 20 0 DBADRM COC(=O)[C@H](Cc1ccccc1O)NC(=O)CCc1nnn[n-]1 ZINC001363544906 982499571 /nfs/dbraw/zinc/49/95/71/982499571.db2.gz WPHNTDZOYURFRE-JTQLQIEISA-N -1 0 319.321 -0.262 20 0 DBADRM CC[C@]1(O)CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001363549920 982504257 /nfs/dbraw/zinc/50/42/57/982504257.db2.gz NVUCMZROJPKPPE-AWEZNQCLSA-N -1 0 305.338 -0.165 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CNC(=O)NC1CCCCC1 ZINC001363567386 982514844 /nfs/dbraw/zinc/51/48/44/982514844.db2.gz UTQSKDBOGBHKDQ-UHFFFAOYSA-N -1 0 311.342 -0.047 20 0 DBADRM Cn1[n-]c(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1=O ZINC001363572475 982515764 /nfs/dbraw/zinc/51/57/64/982515764.db2.gz HLSZXYUKEUXTMP-JTQLQIEISA-N -1 0 308.338 -0.365 20 0 DBADRM CN(Cc1nnc2n1CCNC2=O)C(=O)c1ccc(O)cn1 ZINC001363591181 982526778 /nfs/dbraw/zinc/52/67/78/982526778.db2.gz HXKQTLXEVXWMNO-UHFFFAOYSA-N -1 0 302.294 -0.606 20 0 DBADRM O=C(CCc1nnn[n-]1)NC[C@H](n1cncn1)C(F)(F)F ZINC001363593847 982528770 /nfs/dbraw/zinc/52/87/70/982528770.db2.gz KDBPKDNYIQSFPZ-LURJTMIESA-N -1 0 304.236 -0.356 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H](CO)CCc1ccccc1 ZINC001363603322 982533749 /nfs/dbraw/zinc/53/37/49/982533749.db2.gz RQZQHDMWRSYFMQ-LLVKDONJSA-N -1 0 306.322 -0.201 20 0 DBADRM NC(=O)[C@@H](C1CC1)N(CC1CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001363627530 982543708 /nfs/dbraw/zinc/54/37/08/982543708.db2.gz LBXSXMPQAHPQMS-SNVBAGLBSA-N -1 0 309.326 -0.808 20 0 DBADRM O=C(N[C@@H]1COCC[C@H]1O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001363627574 982544166 /nfs/dbraw/zinc/54/41/66/982544166.db2.gz PIQRJNLWZLVBNQ-RKDXNWHRSA-N -1 0 306.278 -0.684 20 0 DBADRM C[C@H]1C[C@@H](NC(=O)CCCc2nnn[n-]2)CCS1(=O)=O ZINC001363652491 982554059 /nfs/dbraw/zinc/55/40/59/982554059.db2.gz LHKXITOAAXSNHX-IUCAKERBSA-N -1 0 301.372 -0.396 20 0 DBADRM C[C@H](NC(=O)[C@H]1CCC2N=NC(=O)N2C1)c1nn(C)cc1[O-] ZINC001363662066 982559705 /nfs/dbraw/zinc/55/97/05/982559705.db2.gz HGYJZMYHWMTHHS-YUMQZZPRSA-N -1 0 306.326 -0.137 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H](CC)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001531400525 1014858034 /nfs/dbraw/zinc/85/80/34/1014858034.db2.gz JJGDLLKHWHMZLA-JGVFFNPUSA-N -1 0 317.321 -0.552 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1C[C@H](CCO)[C@H](CO)C1 ZINC001363699588 982576715 /nfs/dbraw/zinc/57/67/15/982576715.db2.gz BBQVTPRTDUCHSH-YUMQZZPRSA-N -1 0 302.356 -0.948 20 0 DBADRM C[C@H](O)CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@@H](C)CO ZINC001363701607 982577951 /nfs/dbraw/zinc/57/79/51/982577951.db2.gz BOAAUHIEZLENMH-UWVGGRQHSA-N -1 0 320.353 -0.721 20 0 DBADRM COC(=O)c1c(NC(=O)c2ncccn2)n[n-]c1OCCO ZINC001363719171 982587901 /nfs/dbraw/zinc/58/79/01/982587901.db2.gz DDLLSYBFYQYJHP-UHFFFAOYSA-N -1 0 307.266 -0.390 20 0 DBADRM O=C([C@@H]1CCC2N=NC(=O)N2C1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363724956 982588801 /nfs/dbraw/zinc/58/88/01/982588801.db2.gz RPNQPDUGDPTHNT-JGVFFNPUSA-N -1 0 304.314 -0.925 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1CC[C@H](c3nnn[n-]3)C1)CC2 ZINC001363727678 982591986 /nfs/dbraw/zinc/59/19/86/982591986.db2.gz WDXIPFONYZFSOE-VHSXEESVSA-N -1 0 302.342 -0.322 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC[C@H]2CCNC(=O)[C@H]21 ZINC001363742745 982600581 /nfs/dbraw/zinc/60/05/81/982600581.db2.gz UVWIBTZUBRDIRL-CBAPKCEASA-N -1 0 311.367 -0.271 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC001363742746 982601070 /nfs/dbraw/zinc/60/10/70/982601070.db2.gz UVWIBTZUBRDIRL-IONNQARKSA-N -1 0 311.367 -0.271 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC001363742743 982601728 /nfs/dbraw/zinc/60/17/28/982601728.db2.gz UVWIBTZUBRDIRL-APPZFPTMSA-N -1 0 311.367 -0.271 20 0 DBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CCS(C)(=O)=O ZINC001363751985 982606645 /nfs/dbraw/zinc/60/66/45/982606645.db2.gz ORCMOJJGSPZXMC-QGZVFWFLSA-N -1 0 320.458 -0.238 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC([C@@H]2COC(=O)N2)CC1 ZINC001363789348 982637839 /nfs/dbraw/zinc/63/78/39/982637839.db2.gz CGNPQUCWDRYEBN-JTQLQIEISA-N -1 0 308.342 -0.131 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001363799116 982642580 /nfs/dbraw/zinc/64/25/80/982642580.db2.gz GUZGWLNTBLRSPF-UHFFFAOYSA-N -1 0 307.314 -0.703 20 0 DBADRM O=C(NC1(CNC(=O)C2CC2)CCCC1)c1n[nH]c(=O)[n-]c1=O ZINC001531611617 1014870693 /nfs/dbraw/zinc/87/06/93/1014870693.db2.gz IZPQNVUNGBFGKD-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCc1ncc2c(n1)CCOC2 ZINC001363826945 982662175 /nfs/dbraw/zinc/66/21/75/982662175.db2.gz VGHOFKMTHLFERC-UHFFFAOYSA-N -1 0 303.326 -0.299 20 0 DBADRM COC(=O)C1([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)CCC1 ZINC001363829942 982663495 /nfs/dbraw/zinc/66/34/95/982663495.db2.gz BDJIKTIRPJDDFQ-GOSISDBHSA-N -1 0 313.401 -0.509 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2ncc[n-]2)CCN1S(C)(=O)=O ZINC001363836851 982666819 /nfs/dbraw/zinc/66/68/19/982666819.db2.gz LBFYRFGCDVUKSF-QMMMGPOBSA-N -1 0 308.385 -0.936 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)[C@H]2CCOC2)on1 ZINC001363839880 982669638 /nfs/dbraw/zinc/66/96/38/982669638.db2.gz ZYFGHMGVBBPNTH-IONNQARKSA-N -1 0 320.323 -0.863 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1C(=O)NCC[C@@H]1C ZINC001363855432 982676467 /nfs/dbraw/zinc/67/64/67/982676467.db2.gz AQDAXQZYPILFEY-DTWKUNHWSA-N -1 0 311.429 -0.147 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1C[C@H](CO)[C@H](CCO)C1 ZINC001363932788 982731745 /nfs/dbraw/zinc/73/17/45/982731745.db2.gz AMBPAKKUHUJGQJ-NXEZZACHSA-N -1 0 306.322 -0.915 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@@H]1CNC(=O)C1 ZINC001363946395 982742918 /nfs/dbraw/zinc/74/29/18/982742918.db2.gz UVJLJMJGZHZPSG-ZETCQYMHSA-N -1 0 302.308 -0.519 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CC(CO)(CO)C1 ZINC001363957329 982748142 /nfs/dbraw/zinc/74/81/42/982748142.db2.gz GZMNMAOVLPMYMM-UHFFFAOYSA-N -1 0 305.290 -0.543 20 0 DBADRM CCOC1CC(O)(C[N-]S(=O)(=O)N=S(C)(C)=O)C1 ZINC001363970972 982757372 /nfs/dbraw/zinc/75/73/72/982757372.db2.gz QVHFGKDEJLGXKT-UHFFFAOYSA-N -1 0 300.402 -0.522 20 0 DBADRM C[C@@H](C[N-]S(=O)(=O)N=S1(=O)CCCC1)S(C)(=O)=O ZINC001363972477 982758043 /nfs/dbraw/zinc/75/80/43/982758043.db2.gz LRASLSQECTUZHM-QMMMGPOBSA-N -1 0 318.442 -0.484 20 0 DBADRM O=c1nc(CCNS(=O)(=O)C[C@@H]2CC[C@@H](C3CC3)O2)[n-]o1 ZINC001363976546 982761906 /nfs/dbraw/zinc/76/19/06/982761906.db2.gz BVIVLFVVSRGNTL-UWVGGRQHSA-N -1 0 317.367 -0.218 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)OC)[nH]n1)C1CC1 ZINC001363979016 982764102 /nfs/dbraw/zinc/76/41/02/982764102.db2.gz UENNSYDZCRPVKI-VIFPVBQESA-N -1 0 303.340 -0.100 20 0 DBADRM NC(=O)[C@@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)c1ccc(F)cc1 ZINC001363983121 982765668 /nfs/dbraw/zinc/76/56/68/982765668.db2.gz ROUKXHYLMHTWAQ-MXWKQRLJSA-N -1 0 318.326 -0.969 20 0 DBADRM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)N=S(C)(C)=O ZINC001363982164 982765770 /nfs/dbraw/zinc/76/57/70/982765770.db2.gz WEGCPMVFPHPKGM-YFKPBYRVSA-N -1 0 308.328 -0.255 20 0 DBADRM Cc1nnc([C@@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)o1 ZINC001363986092 982767204 /nfs/dbraw/zinc/76/72/04/982767204.db2.gz CKMGXOUCBSPCOQ-FWCARGHBSA-N -1 0 311.389 -0.152 20 0 DBADRM Cc1nnc([C@@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)o1 ZINC001363986090 982768668 /nfs/dbraw/zinc/76/86/68/982768668.db2.gz CKMGXOUCBSPCOQ-DMWPKQFHSA-N -1 0 311.389 -0.152 20 0 DBADRM COC(=O)[C@@H](O)C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC001363984387 982768832 /nfs/dbraw/zinc/76/88/32/982768832.db2.gz VRJWDJYOZHBAPC-VIIUKITBSA-N -1 0 316.401 -0.749 20 0 DBADRM COc1ccc(S(=O)(=O)NCc2nc(=O)o[n-]2)c(F)c1 ZINC001364006670 982782368 /nfs/dbraw/zinc/78/23/68/982782368.db2.gz NSWINUOYYVEBLR-UHFFFAOYSA-N -1 0 303.271 -0.011 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)c2ncc[n-]2)CCN1S(C)(=O)=O ZINC001364010589 982783007 /nfs/dbraw/zinc/78/30/07/982783007.db2.gz LBFYRFGCDVUKSF-MRVPVSSYSA-N -1 0 308.385 -0.936 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@]1(C)CCC(=O)N1 ZINC001364011455 982783170 /nfs/dbraw/zinc/78/31/70/982783170.db2.gz UODBHJMKTFIXED-JTQLQIEISA-N -1 0 311.429 -0.003 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@]1(C)CCC(=O)N1 ZINC001364011461 982784530 /nfs/dbraw/zinc/78/45/30/982784530.db2.gz UODBHJMKTFIXED-SNVBAGLBSA-N -1 0 311.429 -0.003 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001364020036 982788741 /nfs/dbraw/zinc/78/87/41/982788741.db2.gz CPOLWQMLQXHJHE-SECBINFHSA-N -1 0 301.372 -0.585 20 0 DBADRM COC[C@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)c1nnn[n-]1 ZINC001364021272 982790178 /nfs/dbraw/zinc/79/01/78/982790178.db2.gz FECFHKMENLWLPR-IUCAKERBSA-N -1 0 312.374 -0.056 20 0 DBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H]1C[C@@H](CO)C1 ZINC001364025180 982795312 /nfs/dbraw/zinc/79/53/12/982795312.db2.gz OBUABNRQSFARNF-DTORHVGOSA-N -1 0 317.367 -0.056 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)c1nnn[n-]1 ZINC001364028412 982798785 /nfs/dbraw/zinc/79/87/85/982798785.db2.gz LEDOBNSFXABBRM-NXEZZACHSA-N -1 0 310.358 -0.492 20 0 DBADRM COC[C@@H](NC(=O)c1cc2n(n1)CCC[C@H]2O)c1nnn[n-]1 ZINC001364032979 982800213 /nfs/dbraw/zinc/80/02/13/982800213.db2.gz PMXNNJWLQKQFMP-PSASIEDQSA-N -1 0 307.314 -0.659 20 0 DBADRM COC[C@@H](NC(=O)COc1ccc(CO)cc1)c1nnn[n-]1 ZINC001364032926 982800424 /nfs/dbraw/zinc/80/04/24/982800424.db2.gz PLMGHQDNXZVWCO-LLVKDONJSA-N -1 0 307.310 -0.425 20 0 DBADRM COC[C@H](NC(=O)c1ccn(C2CCOCC2)n1)c1nnn[n-]1 ZINC001364037960 982802002 /nfs/dbraw/zinc/80/20/02/982802002.db2.gz VGCRWWOHZZECGB-NSHDSACASA-N -1 0 321.341 -0.135 20 0 DBADRM COC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC001364038304 982802540 /nfs/dbraw/zinc/80/25/40/982802540.db2.gz LBBHLXZFSVRSFE-ZCFIWIBFSA-N -1 0 306.296 -0.309 20 0 DBADRM COC[C@@H](NC(=O)Cn1nnc2c1CCCC2)c1nnn[n-]1 ZINC001364039805 982803211 /nfs/dbraw/zinc/80/32/11/982803211.db2.gz XPAVMIZYEOYHOL-SECBINFHSA-N -1 0 306.330 -0.826 20 0 DBADRM Cn1cc(S(=O)(=O)[N-]c2nnn(C)n2)c(Br)n1 ZINC001364042083 982803411 /nfs/dbraw/zinc/80/34/11/982803411.db2.gz QYEISHLKNIPKMF-UHFFFAOYSA-N -1 0 322.148 -0.493 20 0 DBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC001364043252 982804525 /nfs/dbraw/zinc/80/45/25/982804525.db2.gz OBVIJHMIIVSVAS-DDHJBXDOSA-N -1 0 321.395 -0.213 20 0 DBADRM O=c1[nH]c(CNS(=O)(=O)[C@H]2CCOC2)nc2c1COCC2 ZINC001364043539 982804943 /nfs/dbraw/zinc/80/49/43/982804943.db2.gz PZMQJDLMJBKJIB-QMMMGPOBSA-N -1 0 315.351 -0.537 20 0 DBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H]1COC[C@@H]1C ZINC001364043514 982805765 /nfs/dbraw/zinc/80/57/65/982805765.db2.gz CGMXKVYMCBPACY-XPUUQOCRSA-N -1 0 303.340 -0.182 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)Cc1cc(C)on1 ZINC001364047117 982806506 /nfs/dbraw/zinc/80/65/06/982806506.db2.gz GGOODXWWEGFPAB-JTQLQIEISA-N -1 0 306.340 -0.019 20 0 DBADRM C[C@@]1(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)CCNC(=O)C1 ZINC001364049398 982807879 /nfs/dbraw/zinc/80/78/79/982807879.db2.gz GMMJDRSRAHBHSA-QMTHXVAHSA-N -1 0 306.370 -0.103 20 0 DBADRM CCO[C@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)[C@H]1CCOC1 ZINC001364048499 982807912 /nfs/dbraw/zinc/80/79/12/982807912.db2.gz MVQKPIYFXJYNDX-YUMQZZPRSA-N -1 0 318.355 -0.412 20 0 DBADRM Cn1ccc(=O)c(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)c1 ZINC001364049950 982808092 /nfs/dbraw/zinc/80/80/92/982808092.db2.gz JHTBCRQVFJOWHA-JTQLQIEISA-N -1 0 302.338 -0.007 20 0 DBADRM COC(=O)[C@H](C[C@@H]1CCCO1)NS(=O)(=O)c1ncc[n-]1 ZINC001364049543 982808756 /nfs/dbraw/zinc/80/87/56/982808756.db2.gz MEDGAALBRIPUKI-IUCAKERBSA-N -1 0 303.340 -0.201 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)c1ccnn1C ZINC001364053569 982809648 /nfs/dbraw/zinc/80/96/48/982809648.db2.gz ITIOINVMIWPANA-SSDOTTSWSA-N -1 0 313.339 -0.741 20 0 DBADRM CCn1nccc1C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001490181204 1014882125 /nfs/dbraw/zinc/88/21/25/1014882125.db2.gz LGLMNJVCZXBIEX-UHFFFAOYSA-N -1 0 307.358 -0.021 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC[C@H](O)C2CC2)on1 ZINC001364067041 982815485 /nfs/dbraw/zinc/81/54/85/982815485.db2.gz DQGLMERYHXHOIA-VIFPVBQESA-N -1 0 304.324 -0.100 20 0 DBADRM CCOC(=O)c1n[nH]c(CNC(=O)[C@@H](OC)[C@@H]2CCOC2)n1 ZINC001364083031 982821312 /nfs/dbraw/zinc/82/13/12/982821312.db2.gz JXZXJWIWXIWSLL-SCZZXKLOSA-N -1 0 312.326 -0.351 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]2)C[C@H]1c1ccccc1 ZINC001364089251 982823410 /nfs/dbraw/zinc/82/34/10/982823410.db2.gz HNYVQRCRFLVKQD-VHSXEESVSA-N -1 0 301.306 -0.149 20 0 DBADRM CNC(=O)NCCC(=O)N[C@@H](CCSC)c1nnn[n-]1 ZINC001364087531 982823525 /nfs/dbraw/zinc/82/35/25/982823525.db2.gz LPWDNUAHZIOWII-ZETCQYMHSA-N -1 0 301.376 -0.571 20 0 DBADRM CC(C)n1nnc([N-]S(=O)(=O)CCCS(C)(=O)=O)n1 ZINC001364110699 982830509 /nfs/dbraw/zinc/83/05/09/982830509.db2.gz RNFGCKNAUHUFML-UHFFFAOYSA-N -1 0 311.389 -0.570 20 0 DBADRM COC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCCOC1 ZINC001364111494 982830662 /nfs/dbraw/zinc/83/06/62/982830662.db2.gz WCOGSPTXRFXHRE-DTWKUNHWSA-N -1 0 300.315 -0.753 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC001364119127 982832728 /nfs/dbraw/zinc/83/27/28/982832728.db2.gz NQVWNXUBYZOYNB-SNVBAGLBSA-N -1 0 319.408 -0.003 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H](CO)C[C@@H]1CCCO1 ZINC001364117963 982832784 /nfs/dbraw/zinc/83/27/84/982832784.db2.gz JIKCRXNRKUOISF-UWVGGRQHSA-N -1 0 321.337 -0.883 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 ZINC001364121790 982834072 /nfs/dbraw/zinc/83/40/72/982834072.db2.gz CWXFAPXZKSVZAH-HTQZYQBOSA-N -1 0 302.360 -0.846 20 0 DBADRM C[S@](=O)[C@@H]1CC[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001364126156 982835007 /nfs/dbraw/zinc/83/50/07/982835007.db2.gz LQQCZJDEQSUQGV-PIWWNVKXSA-N -1 0 323.378 -0.513 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O ZINC001364131534 982835441 /nfs/dbraw/zinc/83/54/41/982835441.db2.gz PFUDBYQUTSPTAO-SNVBAGLBSA-N -1 0 315.337 -0.176 20 0 DBADRM C[C@]12CN(S(=O)(=O)c3ncc[n-]3)C[C@H]1CS(=O)(=O)C2 ZINC001364134132 982837304 /nfs/dbraw/zinc/83/73/04/982837304.db2.gz WLTQJJIDFOBYTE-WCBMZHEXSA-N -1 0 305.381 -0.535 20 0 DBADRM CCC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)OC ZINC001364156591 982842141 /nfs/dbraw/zinc/84/21/41/982842141.db2.gz ZZZACUQIDUTSIG-DCXZOGHSSA-N -1 0 315.417 -0.263 20 0 DBADRM O=C1CC2(CN(S(=O)(=O)c3ncc[n-]3)C2)n2ccnc2N1 ZINC001364161652 982842924 /nfs/dbraw/zinc/84/29/24/982842924.db2.gz SAITYYTUQOTRLF-UHFFFAOYSA-N -1 0 308.323 -0.652 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(=O)NC[C@@H]1c1ccccc1 ZINC001364211654 982857769 /nfs/dbraw/zinc/85/77/69/982857769.db2.gz KZGYNPANKMPULI-SNVBAGLBSA-N -1 0 317.305 -0.611 20 0 DBADRM CS(=O)(=O)CCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001364220166 982861614 /nfs/dbraw/zinc/86/16/14/982861614.db2.gz FBQQPMWSKHYJPS-MRVPVSSYSA-N -1 0 317.371 -0.556 20 0 DBADRM CC(C)(C)C(=O)Cn1cc(C(=O)[N-]n2ccc(=O)[nH]c2=O)nn1 ZINC001364249943 982870284 /nfs/dbraw/zinc/87/02/84/982870284.db2.gz UMRHVVOSSPADIQ-UHFFFAOYSA-N -1 0 320.309 -0.461 20 0 DBADRM COCCOCCS(=O)(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000926605269 982915273 /nfs/dbraw/zinc/91/52/73/982915273.db2.gz MUSCVIGIGFWZDL-PWSUYJOCSA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@H](CNC(=O)C=C1CCC1)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001532174763 1014894188 /nfs/dbraw/zinc/89/41/88/1014894188.db2.gz CIKYASNSFZNXJV-SECBINFHSA-N -1 0 323.353 -0.332 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC[S@@](=O)CC(F)(F)F ZINC001364366708 982942384 /nfs/dbraw/zinc/94/23/84/982942384.db2.gz BJRWGEIYCBWYQC-HXUWFJFHSA-N -1 0 314.293 -0.453 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC[C@H]1C1OCCO1 ZINC001364366564 982943182 /nfs/dbraw/zinc/94/31/82/982943182.db2.gz IYSIOLPACYPLTD-ZETCQYMHSA-N -1 0 300.340 -0.034 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC(C)(C)CS(C)(=O)=O ZINC001364366656 982943853 /nfs/dbraw/zinc/94/38/53/982943853.db2.gz AGUKZQMGJQQDTF-UHFFFAOYSA-N -1 0 304.376 -0.693 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC1CCN(c2cc(C)[nH]n2)CC1 ZINC001364370659 982944952 /nfs/dbraw/zinc/94/49/52/982944952.db2.gz TZXICSPWVKMFEP-UHFFFAOYSA-N -1 0 319.373 -0.063 20 0 DBADRM O=C([C@H]1CCc2nccn2C1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001364382718 982950385 /nfs/dbraw/zinc/95/03/85/982950385.db2.gz HGPIEEONQUNBCQ-VHSXEESVSA-N -1 0 303.326 -0.441 20 0 DBADRM O=C([C@H]1CCc2ncncc2C1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001364384460 982953710 /nfs/dbraw/zinc/95/37/10/982953710.db2.gz VPZMVPPQHPVNRS-JOYOIKCWSA-N -1 0 315.337 -0.305 20 0 DBADRM CO[C@H](C(=O)N1CCOC[C@H]1c1nnn[n-]1)c1cnn(C)c1 ZINC001364383114 982954251 /nfs/dbraw/zinc/95/42/51/982954251.db2.gz MUFQSCIXYAJMSX-UWVGGRQHSA-N -1 0 307.314 -0.779 20 0 DBADRM C[C@H](NC(=O)[C@@H]1CCc2nnnn2CC1)c1nn(C)cc1[O-] ZINC001364395759 982957786 /nfs/dbraw/zinc/95/77/86/982957786.db2.gz GDBIPYPKXVQSTR-DTWKUNHWSA-N -1 0 305.342 -0.058 20 0 DBADRM C[C@@H](NC(=O)[C@H]1CCc2nnnn2CC1)c1nn(C)cc1[O-] ZINC001364395751 982959614 /nfs/dbraw/zinc/95/96/14/982959614.db2.gz GDBIPYPKXVQSTR-BDAKNGLRSA-N -1 0 305.342 -0.058 20 0 DBADRM CCOC(=O)CC1(NC(=O)CSc2n[nH]c(=O)[n-]2)COC1 ZINC001364402601 982961984 /nfs/dbraw/zinc/96/19/84/982961984.db2.gz RAWXJVLRGDAMAT-UHFFFAOYSA-N -1 0 316.339 -0.559 20 0 DBADRM CCNC(=O)[C@@H](NCc1cc(=O)n2[n-]c(N)nc2n1)C(C)C ZINC001364413067 982966399 /nfs/dbraw/zinc/96/63/99/982966399.db2.gz BMBORKXZCOWRJN-JTQLQIEISA-N -1 0 307.358 -0.750 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@]12CC(=O)N[C@H]1CCCC2 ZINC001364419081 982970656 /nfs/dbraw/zinc/97/06/56/982970656.db2.gz QETJRMJEMJDTCB-JVXZTZIISA-N -1 0 311.367 -0.080 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCc1cnc2n1CCOC2 ZINC001364418424 982971421 /nfs/dbraw/zinc/97/14/21/982971421.db2.gz MAKGTRAYHIASAM-UHFFFAOYSA-N -1 0 322.325 -0.487 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C(=O)OC ZINC001364439036 982985971 /nfs/dbraw/zinc/98/59/71/982985971.db2.gz IULKTFFOZTVDMM-HTQZYQBOSA-N -1 0 311.294 -0.542 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC001364525706 983039482 /nfs/dbraw/zinc/03/94/82/983039482.db2.gz VXUYNNHLTMKILB-ZETCQYMHSA-N -1 0 306.282 -0.016 20 0 DBADRM O=C(CCc1nnn[n-]1)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001364548911 983049086 /nfs/dbraw/zinc/04/90/86/983049086.db2.gz JSQQCQBSINIERQ-UHFFFAOYSA-N -1 0 305.298 -0.983 20 0 DBADRM O=C(CCN1CCCS1(=O)=O)NC1(c2nnn[n-]2)CCC1 ZINC001364661394 983087383 /nfs/dbraw/zinc/08/73/83/983087383.db2.gz CUBIHWDNHUQHTQ-UHFFFAOYSA-N -1 0 314.371 -0.879 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCC(O)(c3ncnn3C)CC2)c1[O-] ZINC001364675857 983092845 /nfs/dbraw/zinc/09/28/45/983092845.db2.gz IRRQROPVCHTCRV-UHFFFAOYSA-N -1 0 306.326 -0.324 20 0 DBADRM CCOC(=O)c1n[nH]c(CN[C@H]2CCCS(=O)(=O)C2)n1 ZINC001364748111 983118882 /nfs/dbraw/zinc/11/88/82/983118882.db2.gz VBWDAPRRKRHELK-QMMMGPOBSA-N -1 0 302.356 -0.352 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@H]1COCCO1 ZINC001364758115 983122227 /nfs/dbraw/zinc/12/22/27/983122227.db2.gz JJODFWFVVKXJCW-QMMMGPOBSA-N -1 0 305.308 -0.240 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)CCn1nc(C)oc1=O)C1CC1 ZINC001364790662 983135343 /nfs/dbraw/zinc/13/53/43/983135343.db2.gz YAWSPSDAGQRFQK-SECBINFHSA-N -1 0 319.339 -0.984 20 0 DBADRM COC(C)(C)C[C@@H](C)NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001364791503 983136234 /nfs/dbraw/zinc/13/62/34/983136234.db2.gz VSJQANMKXVCSAO-MRVPVSSYSA-N -1 0 319.383 -0.032 20 0 DBADRM CC(C)c1nc(CCNC(=O)Cn2c(=O)[n-][nH]c2=O)n(C)n1 ZINC001364797947 983139282 /nfs/dbraw/zinc/13/92/82/983139282.db2.gz XLCFTJGJVLJMSH-UHFFFAOYSA-N -1 0 309.330 -0.700 20 0 DBADRM CC(C)c1noc(CCNS(=O)(=O)c2nncn2C)n1 ZINC001364799108 983140490 /nfs/dbraw/zinc/14/04/90/983140490.db2.gz SVLUTDXCKCLDAH-UHFFFAOYSA-N -1 0 300.344 -0.158 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@@H](O)COCC1CC1 ZINC001364802750 983140918 /nfs/dbraw/zinc/14/09/18/983140918.db2.gz DDIFAKITZDCVGX-SECBINFHSA-N -1 0 300.402 -0.664 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)C1(C(=O)OC)CCC1)C(=O)OC ZINC001364807428 983143499 /nfs/dbraw/zinc/14/34/99/983143499.db2.gz USNKMZGHNWJPIW-QMMMGPOBSA-N -1 0 309.340 -0.811 20 0 DBADRM COC[C@H](NC(=O)CNC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001364811725 983146730 /nfs/dbraw/zinc/14/67/30/983146730.db2.gz CHACFGGUXGLTMK-ZETCQYMHSA-N -1 0 300.319 -0.472 20 0 DBADRM CN(C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1nnn[n-]1 ZINC001532475753 1014918812 /nfs/dbraw/zinc/91/88/12/1014918812.db2.gz YOJWQCXASPIINN-IUCAKERBSA-N -1 0 306.326 -0.272 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCc2cn[nH]c2)on1 ZINC001364850674 983169762 /nfs/dbraw/zinc/16/97/62/983169762.db2.gz GAOJPQHELFNPEJ-UHFFFAOYSA-N -1 0 300.296 -0.295 20 0 DBADRM COC(=O)C1([N-]S(=O)(=O)N=S(C)(C)=O)CCOCC1 ZINC001364864713 983175200 /nfs/dbraw/zinc/17/52/00/983175200.db2.gz HRCFDVDDXOOVNT-UHFFFAOYSA-N -1 0 314.385 -0.729 20 0 DBADRM C[C@]1(C[N-]S(=O)(=O)N=S2(=O)CCCC2)CCC(=O)N1 ZINC001364875467 983181129 /nfs/dbraw/zinc/18/11/29/983181129.db2.gz STOVGLMMGMVBGB-SNVBAGLBSA-N -1 0 309.413 -0.249 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@H](C(N)=O)c1ccccn1 ZINC001364875212 983181183 /nfs/dbraw/zinc/18/11/83/983181183.db2.gz HCWXQGATWWBIHF-QMMMGPOBSA-N -1 0 306.369 -0.830 20 0 DBADRM CCn1nccc1CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001364888105 983185549 /nfs/dbraw/zinc/18/55/49/983185549.db2.gz BPLRILFCBKPQOY-UHFFFAOYSA-N -1 0 313.339 -0.819 20 0 DBADRM CNC(=O)c1cc(S(=O)(=O)[N-]N2CCCC2=O)cn1C ZINC001364896685 983188910 /nfs/dbraw/zinc/18/89/10/983188910.db2.gz CTCNEDDIDVBJNA-UHFFFAOYSA-N -1 0 300.340 -0.800 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCC(CCO)(CCO)CC1 ZINC001364900371 983190269 /nfs/dbraw/zinc/19/02/69/983190269.db2.gz CGPDOQRUKDMOCM-UHFFFAOYSA-N -1 0 303.384 -0.055 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-]CC1N=NC(=O)N1C1CC1 ZINC001364915302 983196421 /nfs/dbraw/zinc/19/64/21/983196421.db2.gz UMGBOGSGHWZTIY-UHFFFAOYSA-N -1 0 309.373 -0.619 20 0 DBADRM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)N=S(C)(C)=O ZINC001364917216 983197190 /nfs/dbraw/zinc/19/71/90/983197190.db2.gz SXQPQLZULUFKRW-ZETCQYMHSA-N -1 0 318.442 -0.157 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2nccn2C)n[nH]1 ZINC001364916588 983197734 /nfs/dbraw/zinc/19/77/34/983197734.db2.gz UCIDBBOPAZYZBT-SSDOTTSWSA-N -1 0 313.339 -0.031 20 0 DBADRM Cn1nnc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n1 ZINC001364951020 983208520 /nfs/dbraw/zinc/20/85/20/983208520.db2.gz MKZSEQDVPWNZML-UHFFFAOYSA-N -1 0 308.323 -0.703 20 0 DBADRM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(OC)ns1)[C@@H](C)O ZINC001364959626 983213734 /nfs/dbraw/zinc/21/37/34/983213734.db2.gz IMLTXDUEAQVRAE-MUWHJKNJSA-N -1 0 324.380 -0.507 20 0 DBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@]1(C)CCNC1=O ZINC001364974939 983218098 /nfs/dbraw/zinc/21/80/98/983218098.db2.gz FCERCFACPCMRCO-JTQLQIEISA-N -1 0 319.364 -0.513 20 0 DBADRM COC(=O)c1cc(NC(=O)CSc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001364998394 983226361 /nfs/dbraw/zinc/22/63/61/983226361.db2.gz OZVNOYIIPSHPDB-UHFFFAOYSA-N -1 0 312.311 -0.239 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOC[C@H]1C[C@H]1CCOC1 ZINC001365043997 983239045 /nfs/dbraw/zinc/23/90/45/983239045.db2.gz RLGQTIWNTMQSID-RKDXNWHRSA-N -1 0 310.310 -0.450 20 0 DBADRM CC1(C)C[C@H](NC(=O)CCc2nnn[n-]2)CCS1(=O)=O ZINC001365052869 983242259 /nfs/dbraw/zinc/24/22/59/983242259.db2.gz DKRUBQPFUFTBLB-MRVPVSSYSA-N -1 0 301.372 -0.396 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC2(C[C@H]2C(=O)OC)CC1 ZINC001365056567 983243965 /nfs/dbraw/zinc/24/39/65/983243965.db2.gz QMFITLSKFVDTDL-VIFPVBQESA-N -1 0 308.342 -0.078 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC1(c2ncccn2)CCOCC1 ZINC001365055742 983244255 /nfs/dbraw/zinc/24/42/55/983244255.db2.gz AZEPISPRHSZQPS-UHFFFAOYSA-N -1 0 318.341 -0.268 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCC[C@@H]1C1OCCO1 ZINC001365054599 983244463 /nfs/dbraw/zinc/24/44/63/983244463.db2.gz ZWAJOWGEVRFKCF-SNVBAGLBSA-N -1 0 319.321 -0.565 20 0 DBADRM CC[C@H]1CN(C(=O)N=c2nn[n-]n2CC)C[C@H](C)S1(=O)=O ZINC001365056236 983244585 /nfs/dbraw/zinc/24/45/85/983244585.db2.gz KETKXLBIRFVPEM-IUCAKERBSA-N -1 0 316.387 -0.456 20 0 DBADRM CCN(C(=O)N=c1nn[n-]n1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001365056771 983244658 /nfs/dbraw/zinc/24/46/58/983244658.db2.gz UEGFQWFIRNNCFV-MRVPVSSYSA-N -1 0 302.360 -0.844 20 0 DBADRM CC[C@@H]1CN(C(=O)N=c2nn[n-]n2CC)C[C@H](C)S1(=O)=O ZINC001365056235 983244893 /nfs/dbraw/zinc/24/48/93/983244893.db2.gz KETKXLBIRFVPEM-DTWKUNHWSA-N -1 0 316.387 -0.456 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)c1cc(F)cc(F)c1[O-] ZINC001365065228 983247265 /nfs/dbraw/zinc/24/72/65/983247265.db2.gz MTVUPOAXGBBAHF-ZETCQYMHSA-N -1 0 309.290 -0.194 20 0 DBADRM Cc1cc(N2CC[C@@H](NS(=O)(=O)c3ncc[n-]3)C2=O)n(C)n1 ZINC001365133104 983268511 /nfs/dbraw/zinc/26/85/11/983268511.db2.gz GAJMMFJBOFPWKX-SECBINFHSA-N -1 0 324.366 -0.465 20 0 DBADRM CC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCC2(CC1)OCCO2 ZINC001365159201 983280113 /nfs/dbraw/zinc/28/01/13/983280113.db2.gz ZKOPSPPYZUERPS-UHFFFAOYSA-N -1 0 312.326 -0.119 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC001365203528 983295917 /nfs/dbraw/zinc/29/59/17/983295917.db2.gz XIKQRMUQWITVQL-MRVPVSSYSA-N -1 0 302.360 -0.987 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1c2ccccc2CN(C)C1=O ZINC001365201832 983296117 /nfs/dbraw/zinc/29/61/17/983296117.db2.gz MRPREBCHABDLNA-NSHDSACASA-N -1 0 315.337 -0.050 20 0 DBADRM COC(=O)[C@H]1[C@@H](O)CCCN1Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001365299654 983326762 /nfs/dbraw/zinc/32/67/62/983326762.db2.gz WRPZVLSFOAXAEU-WCQYABFASA-N -1 0 323.349 -0.247 20 0 DBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)c1occc1C(=O)OC ZINC001365380156 983355742 /nfs/dbraw/zinc/35/57/42/983355742.db2.gz LENPEOHINPBXIC-MRVPVSSYSA-N -1 0 321.307 -0.732 20 0 DBADRM CCOC(=O)[C@H](CO)NS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001365379149 983356005 /nfs/dbraw/zinc/35/60/05/983356005.db2.gz IMSBELLABXJIJD-JTQLQIEISA-N -1 0 307.299 -0.266 20 0 DBADRM COC[C@H](O)C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC001365386118 983359170 /nfs/dbraw/zinc/35/91/70/983359170.db2.gz SNYQOOMEXSAXJR-DGIBIBHMSA-N -1 0 322.408 -0.015 20 0 DBADRM Cc1cc(CNS(=O)(=O)N=[S@](C)(=O)N(C)C)ncn1 ZINC001365391159 983360834 /nfs/dbraw/zinc/36/08/34/983360834.db2.gz WKAGBZZRUVTHRI-SFHVURJKSA-N -1 0 307.401 -0.306 20 0 DBADRM CCn1ccc(CNS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)n1 ZINC001365417350 983373142 /nfs/dbraw/zinc/37/31/42/983373142.db2.gz ILYHQHQISZYVLL-UHFFFAOYSA-N -1 0 313.339 -0.819 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3OCC[C@@H]3C2)n[nH]1 ZINC001365425103 983377456 /nfs/dbraw/zinc/37/74/56/983377456.db2.gz KRVUNXRFNZMDPN-SCZZXKLOSA-N -1 0 315.351 -0.004 20 0 DBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2nnn(C)n2)cc1 ZINC001365456690 983393523 /nfs/dbraw/zinc/39/35/23/983393523.db2.gz ZISYAGPRHFYXTD-UHFFFAOYSA-N -1 0 324.366 -0.311 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@H](C)S(=O)(=O)CC1 ZINC001365500362 983404035 /nfs/dbraw/zinc/40/40/35/983404035.db2.gz LBCKJVQJTYPMFV-QMMMGPOBSA-N -1 0 302.360 -0.844 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC(CCO)(CCO)CC1 ZINC001365500682 983404343 /nfs/dbraw/zinc/40/43/43/983404343.db2.gz NWWGVIHRYDXCLV-UHFFFAOYSA-N -1 0 312.374 -0.506 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)[N-][C@@H](C(N)=O)c1ccccc1 ZINC001365631634 983447444 /nfs/dbraw/zinc/44/74/44/983447444.db2.gz PTMTVMWGTMVERH-SECBINFHSA-N -1 0 305.381 -0.225 20 0 DBADRM CCCn1nccc1C(=O)NCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596120785 983456461 /nfs/dbraw/zinc/45/64/61/983456461.db2.gz YQOZQLORJKXIPA-ZJUUUORDSA-N -1 0 308.338 -0.140 20 0 DBADRM NC(=O)[C@H]1C[C@H](NC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC001365653173 983460086 /nfs/dbraw/zinc/46/00/86/983460086.db2.gz OCBMGUYZEYQIGM-CIUDSAMLSA-N -1 0 308.342 -0.337 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)n[nH]1 ZINC001365660838 983462828 /nfs/dbraw/zinc/46/28/28/983462828.db2.gz UIVIAPMACTUXNW-ZETCQYMHSA-N -1 0 316.339 -0.905 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CCO)C2CC2)n[nH]1 ZINC001365660324 983463213 /nfs/dbraw/zinc/46/32/13/983463213.db2.gz OGRGODCAPVZYFJ-QMMMGPOBSA-N -1 0 303.340 -0.364 20 0 DBADRM CC[C@H](C)[C@H](O)CNS(=O)(=O)c1cc(C(=O)OC)[nH]n1 ZINC001365660911 983463159 /nfs/dbraw/zinc/46/31/59/983463159.db2.gz VHIBXHGWBBIVPU-IONNQARKSA-N -1 0 305.356 -0.118 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN([C@@H](C)C(=O)N(C)C)CC2)c1[O-] ZINC001365695419 983483024 /nfs/dbraw/zinc/48/30/24/983483024.db2.gz YTFRIXCAEOBBJC-JTQLQIEISA-N -1 0 309.370 -0.342 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NCC2(CCO)CC2)n[nH]1 ZINC001365702397 983486857 /nfs/dbraw/zinc/48/68/57/983486857.db2.gz SIJHGMBQUXIEHS-UHFFFAOYSA-N -1 0 303.340 -0.363 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001365702796 983487287 /nfs/dbraw/zinc/48/72/87/983487287.db2.gz DUWPYNKWFDATDY-VIFPVBQESA-N -1 0 307.397 -0.003 20 0 DBADRM COC(=O)c1ccnc(S(=O)(=O)N[C@@]2(C)CCOC2=O)c1 ZINC001365711529 983493852 /nfs/dbraw/zinc/49/38/52/983493852.db2.gz UQYDTTJFALSFKX-LBPRGKRZSA-N -1 0 314.319 -0.148 20 0 DBADRM O=S(=O)(N[C@@H]1CCc2nnnn2CC1)c1ccns1 ZINC001365714907 983495654 /nfs/dbraw/zinc/49/56/54/983495654.db2.gz AIVXQUWOGVELHD-SSDOTTSWSA-N -1 0 300.369 -0.187 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)Cc1cc(C)no1 ZINC001365735583 983512417 /nfs/dbraw/zinc/51/24/17/983512417.db2.gz HQKASZBRQUNRCJ-JTQLQIEISA-N -1 0 306.340 -0.019 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)[N-]CC(F)(F)C(=O)OC)C1 ZINC001365745108 983519666 /nfs/dbraw/zinc/51/96/66/983519666.db2.gz BQSZYYRALLYBOC-KNVOCYPGSA-N -1 0 315.294 -0.334 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCC(C)(C)[C@]1(O)CCCOC1 ZINC001365822962 983543460 /nfs/dbraw/zinc/54/34/60/983543460.db2.gz OYVACHURRQYRIK-ZDUSSCGKSA-N -1 0 312.374 -0.196 20 0 DBADRM O=C(CCn1cccn1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001365936346 983599096 /nfs/dbraw/zinc/59/90/96/983599096.db2.gz OZWZHSGMRVZQPX-LLVKDONJSA-N -1 0 319.369 -0.122 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001366574639 983864993 /nfs/dbraw/zinc/86/49/93/983864993.db2.gz OAFQUUMBBYUKCO-UHFFFAOYSA-N -1 0 312.374 -0.779 20 0 DBADRM Cc1nccn1CC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001366677260 983899752 /nfs/dbraw/zinc/89/97/52/983899752.db2.gz NZJOYAGNRVJAIY-NSHDSACASA-N -1 0 319.369 -0.204 20 0 DBADRM CC(C)(F)C(=O)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001490478172 1014987610 /nfs/dbraw/zinc/98/76/10/1014987610.db2.gz AKIZOGXNOLARMC-UHFFFAOYSA-N -1 0 314.365 -0.508 20 0 DBADRM CCCN(CCNC(=O)Cn1ccnc1)Cc1n[nH]c(=O)[n-]1 ZINC001366725861 983946026 /nfs/dbraw/zinc/94/60/26/983946026.db2.gz AVMQAMMCWHRVFD-UHFFFAOYSA-N -1 0 307.358 -0.265 20 0 DBADRM CCN1CCO[C@H](C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC001596442646 1017145458 /nfs/dbraw/zinc/14/54/58/1017145458.db2.gz NPSGXUPOURRUNI-SRVKXCTJSA-N -1 0 300.355 -0.154 20 0 DBADRM CCCN(CCNC(=O)c1nonc1C)Cc1n[nH]c(=O)[n-]1 ZINC001366728839 983951574 /nfs/dbraw/zinc/95/15/74/983951574.db2.gz OGEFLFDNYOVDDY-UHFFFAOYSA-N -1 0 309.330 -0.156 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(Cc2nnnn2C)C2CC2)c1[O-] ZINC001366736640 983956248 /nfs/dbraw/zinc/95/62/48/983956248.db2.gz XBJAUSBVKQNXAA-UHFFFAOYSA-N -1 0 320.357 -0.658 20 0 DBADRM NC(=O)[C@@H]1CC[C@H]1C(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001366748011 983963245 /nfs/dbraw/zinc/96/32/45/983963245.db2.gz POILLZHMKDUHJR-NXEZZACHSA-N -1 0 322.369 -0.898 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)c1n[nH]cc1F ZINC001366751025 983963802 /nfs/dbraw/zinc/96/38/02/983963802.db2.gz KBBRQJBSBOBOTA-UHFFFAOYSA-N -1 0 309.305 -0.233 20 0 DBADRM COCCC(=O)N1CC[C@H](C[N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001366862007 984026656 /nfs/dbraw/zinc/02/66/56/984026656.db2.gz PITCJUJFGBTZLB-LLVKDONJSA-N -1 0 311.386 -0.575 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NC1CN(C/C=C/Cl)C1 ZINC001366929585 984067385 /nfs/dbraw/zinc/06/73/85/984067385.db2.gz FKKCQJYPLQEHIT-DAFODLJHSA-N -1 0 313.745 -0.232 20 0 DBADRM COCC1(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)CCC1 ZINC001366971559 984091558 /nfs/dbraw/zinc/09/15/58/984091558.db2.gz PZBIHSWOTVRGBB-UHFFFAOYSA-N -1 0 309.370 -0.125 20 0 DBADRM O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cc[nH]c1 ZINC001490494315 1015006905 /nfs/dbraw/zinc/00/69/05/1015006905.db2.gz YIMXRYDNWSVZPH-UHFFFAOYSA-N -1 0 319.369 -0.614 20 0 DBADRM CCNC(=O)CCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001367029519 984142753 /nfs/dbraw/zinc/14/27/53/984142753.db2.gz YTXDCELOGLVCQO-SECBINFHSA-N -1 0 310.358 -0.883 20 0 DBADRM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C(C)C ZINC001367036608 984156394 /nfs/dbraw/zinc/15/63/94/984156394.db2.gz ATFAXYHBRAJYKJ-ZYHUDNBSSA-N -1 0 324.385 -0.639 20 0 DBADRM C[C@H](C[NH2+]Cc1n[nH]c(=O)[n-]1)NC(=O)Cc1ncccc1F ZINC001367690414 984541188 /nfs/dbraw/zinc/54/11/88/984541188.db2.gz YJDNOHQVNLRGEI-MRVPVSSYSA-N -1 0 308.317 -0.119 20 0 DBADRM COCCOCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001490581009 1015050829 /nfs/dbraw/zinc/05/08/29/1015050829.db2.gz SRLNGVXAOQPYDJ-JTQLQIEISA-N -1 0 313.358 -0.746 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1ncccn1 ZINC001367844553 984699553 /nfs/dbraw/zinc/69/95/53/984699553.db2.gz BQRGWVFFSVHHSI-JTQLQIEISA-N -1 0 319.369 -0.130 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001368029058 984847548 /nfs/dbraw/zinc/84/75/48/984847548.db2.gz ZCWQKRAKLLEVAT-UHFFFAOYSA-N -1 0 324.385 -0.589 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)c2ccn(C)c2)c1[O-] ZINC001533228886 1015080268 /nfs/dbraw/zinc/08/02/68/1015080268.db2.gz KHUXTLUMYOZEIW-SNVBAGLBSA-N -1 0 321.337 -0.717 20 0 DBADRM C[C@]1(CNC(=O)c2cnon2)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001368233172 984925605 /nfs/dbraw/zinc/92/56/05/984925605.db2.gz YSOKHUXZSURHBX-CYBMUJFWSA-N -1 0 321.341 -0.075 20 0 DBADRM Cc1ccc(CC(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)o1 ZINC001368289711 985043921 /nfs/dbraw/zinc/04/39/21/985043921.db2.gz QHKUJNDJBFMGEE-UHFFFAOYSA-N -1 0 321.337 -0.683 20 0 DBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)Cn1ccnc1 ZINC001368459422 985199216 /nfs/dbraw/zinc/19/92/16/985199216.db2.gz XLPZEZNLBFCKTB-JTQLQIEISA-N -1 0 305.342 -0.560 20 0 DBADRM CN(CCCN(C)C(=O)c1cncn1C)Cc1n[nH]c(=O)[n-]1 ZINC001368554982 985270000 /nfs/dbraw/zinc/27/00/00/985270000.db2.gz WOBURFSWZHHPNU-UHFFFAOYSA-N -1 0 307.358 -0.162 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001368614857 985309998 /nfs/dbraw/zinc/30/99/98/985309998.db2.gz NUGOZDZHPGBGGJ-RULNRJAQSA-N -1 0 309.370 -0.391 20 0 DBADRM C[C@H](NCc1ccon1)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001368891575 985545979 /nfs/dbraw/zinc/54/59/79/985545979.db2.gz FKEZVCXWWSWTEE-YUMQZZPRSA-N -1 0 310.314 -0.640 20 0 DBADRM Cc1cc(CN(C)[C@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001368969541 985616945 /nfs/dbraw/zinc/61/69/45/985616945.db2.gz OYSMFIDHZCXTNI-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)Cc1ccon1 ZINC001368997484 985639884 /nfs/dbraw/zinc/63/98/84/985639884.db2.gz PJMLIHCXYARPIX-MRVPVSSYSA-N -1 0 310.314 -0.686 20 0 DBADRM O=C(CCc1ccoc1)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001369317610 985872498 /nfs/dbraw/zinc/87/24/98/985872498.db2.gz DMMXJBSJALBUOD-JTQLQIEISA-N -1 0 309.326 -0.697 20 0 DBADRM Cc1cnc(CN[C@@H](CO)CNC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001369320098 985878287 /nfs/dbraw/zinc/87/82/87/985878287.db2.gz GYGVMCNHFKREJS-SECBINFHSA-N -1 0 309.326 -0.399 20 0 DBADRM Cc1c(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)ccn1C ZINC001369344743 985935446 /nfs/dbraw/zinc/93/54/46/985935446.db2.gz AWTJDDPUGIURBS-SECBINFHSA-N -1 0 308.342 -0.962 20 0 DBADRM Cc1ccc([C@@H](C)C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)o1 ZINC001369361898 985974040 /nfs/dbraw/zinc/97/40/40/985974040.db2.gz LQIYKDPFUGMIIN-NXEZZACHSA-N -1 0 323.353 -0.218 20 0 DBADRM O=C(COc1ccccc1)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001369371048 986001385 /nfs/dbraw/zinc/00/13/85/986001385.db2.gz NBAYRDMGURVIKS-SNVBAGLBSA-N -1 0 321.337 -0.844 20 0 DBADRM CCNC(=O)CC(=O)N(C)CCCNc1ncc(C(=O)[O-])cn1 ZINC001596455922 1017149326 /nfs/dbraw/zinc/14/93/26/1017149326.db2.gz BYFCKWHKPDGKEW-UHFFFAOYSA-N -1 0 323.353 -0.039 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)C1CCCC1 ZINC001369489200 986220629 /nfs/dbraw/zinc/22/06/29/986220629.db2.gz NBFJSVIOWZCCRH-LLVKDONJSA-N -1 0 311.386 -0.048 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)Cc1ccco1 ZINC001369520771 986266745 /nfs/dbraw/zinc/26/67/45/986266745.db2.gz UXQBFXLMDIFGAR-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM CCNC(=O)CN1CCN(Cc2cc(C(=O)[O-])n(C)c2)CC1 ZINC001596462157 1017151002 /nfs/dbraw/zinc/15/10/02/1017151002.db2.gz UFTUVMIVGISBLP-UHFFFAOYSA-N -1 0 308.382 -0.023 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CC12CC2)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001369955486 986497892 /nfs/dbraw/zinc/49/78/92/986497892.db2.gz BIXJNMDQLMLXJV-IUCAKERBSA-N -1 0 323.353 -0.548 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CCO)(NC(=O)[C@@H]3C[C@H]3C)C2)c1[O-] ZINC001369980707 986523801 /nfs/dbraw/zinc/52/38/01/986523801.db2.gz XZEOYQFNIUABNZ-PSASIEDQSA-N -1 0 322.365 -0.227 20 0 DBADRM C[C@@H](NC(=O)C(F)F)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001370069987 986584082 /nfs/dbraw/zinc/58/40/82/986584082.db2.gz BKQCHYDWJKBGTN-SCSAIBSYSA-N -1 0 317.252 -0.875 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@@]2(C)CCNC2=O)c1[O-] ZINC001534431700 1015251503 /nfs/dbraw/zinc/25/15/03/1015251503.db2.gz BIYCIODAILNKSU-WJWGPLDTSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC001370683051 986882346 /nfs/dbraw/zinc/88/23/46/986882346.db2.gz KIBFSMGRBLPXCQ-UKKRHICBSA-N -1 0 322.365 -0.323 20 0 DBADRM CSCC(=O)NC[C@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001370984052 987105693 /nfs/dbraw/zinc/10/56/93/987105693.db2.gz WNBDVVFZNQEIDG-QMMMGPOBSA-N -1 0 316.383 -0.664 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCNC(=O)C1CC=CC1 ZINC001491194149 1015283430 /nfs/dbraw/zinc/28/34/30/1015283430.db2.gz JBGBENBWXHDODF-UHFFFAOYSA-N -1 0 323.353 -0.332 20 0 DBADRM CCn1ncnc1CN(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001371945657 987564021 /nfs/dbraw/zinc/56/40/21/987564021.db2.gz NTCSSNKUAHLDRS-UHFFFAOYSA-N -1 0 307.358 -0.103 20 0 DBADRM CCCCC(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001371966887 987576653 /nfs/dbraw/zinc/57/66/53/987576653.db2.gz UNEOBYDBCMHZNE-UHFFFAOYSA-N -1 0 309.326 -0.243 20 0 DBADRM Cc1cnc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)o1 ZINC001372024029 987616328 /nfs/dbraw/zinc/61/63/28/987616328.db2.gz GZKJQRBMHNEDNW-UHFFFAOYSA-N -1 0 308.298 -0.559 20 0 DBADRM C[C@H](c1ncccn1)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001372210020 987680128 /nfs/dbraw/zinc/68/01/28/987680128.db2.gz JUISKJMLCSMQNO-SECBINFHSA-N -1 0 321.341 -0.712 20 0 DBADRM CCNC(=O)CNC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001596462109 1017152903 /nfs/dbraw/zinc/15/29/03/1017152903.db2.gz SDFNZQAIEMHUJC-QMMMGPOBSA-N -1 0 309.326 -0.149 20 0 DBADRM CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cnc(C(=O)[O-])cn1 ZINC001596482880 1017152976 /nfs/dbraw/zinc/15/29/76/1017152976.db2.gz CBXSUIVTPGEPTI-ZCFIWIBFSA-N -1 0 310.266 -0.434 20 0 DBADRM CCN(CCNC(=O)CCc1nc(C)no1)Cc1n[nH]c(=O)[n-]1 ZINC001372388052 987751311 /nfs/dbraw/zinc/75/13/11/987751311.db2.gz GGHHYCGPAGQZIB-UHFFFAOYSA-N -1 0 323.357 -0.227 20 0 DBADRM O=C(NC[C@H](NC(=O)C(F)F)C1CC1)c1n[nH]c(=O)[n-]c1=O ZINC001372398829 987753104 /nfs/dbraw/zinc/75/31/04/987753104.db2.gz FCDBWCLOZQABCQ-YFKPBYRVSA-N -1 0 317.252 -0.828 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001372408279 987754415 /nfs/dbraw/zinc/75/44/15/987754415.db2.gz DDSSMEIBTIRCGL-SZEHBUNVSA-N -1 0 323.353 -0.644 20 0 DBADRM CC(=O)N[C@@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC001372409483 987755579 /nfs/dbraw/zinc/75/55/79/987755579.db2.gz DDEPNKLSPQYMTN-NSHDSACASA-N -1 0 318.337 -0.898 20 0 DBADRM C[C@H]1CC[C@@H](C(=O)NCCNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001491303038 1015337068 /nfs/dbraw/zinc/33/70/68/1015337068.db2.gz PAGKMBVGKOGOAL-VHSXEESVSA-N -1 0 322.365 -0.232 20 0 DBADRM CCCN(CCNC(=O)c1cn(C)cn1)Cc1n[nH]c(=O)[n-]1 ZINC001372690521 987847534 /nfs/dbraw/zinc/84/75/34/987847534.db2.gz QSNOGFANOMVGHU-UHFFFAOYSA-N -1 0 307.358 -0.114 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1CCC(=O)N1C)Cc1n[nH]c(=O)[n-]1 ZINC001372720224 987856160 /nfs/dbraw/zinc/85/61/60/987856160.db2.gz MNBYCRGEHREUSQ-JTQLQIEISA-N -1 0 324.385 -0.541 20 0 DBADRM CCCN(CCNC(=O)c1cccnn1)Cc1n[nH]c(=O)[n-]1 ZINC001372738462 987860163 /nfs/dbraw/zinc/86/01/63/987860163.db2.gz XPTHQYXKIAAPJF-UHFFFAOYSA-N -1 0 305.342 -0.058 20 0 DBADRM CC[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001372786092 987878727 /nfs/dbraw/zinc/87/87/27/987878727.db2.gz MAJMGHIEJMDNSI-RKDXNWHRSA-N -1 0 310.354 -0.234 20 0 DBADRM CC[C@H](C)C(=O)NC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001372786091 987878979 /nfs/dbraw/zinc/87/89/79/987878979.db2.gz MAJMGHIEJMDNSI-IUCAKERBSA-N -1 0 310.354 -0.234 20 0 DBADRM O=C(NCCNC(=O)c1c[n-]n2c1nccc2=O)c1cnco1 ZINC001491315174 1015344950 /nfs/dbraw/zinc/34/49/50/1015344950.db2.gz OMMXTUVYKUYZDJ-UHFFFAOYSA-N -1 0 316.277 -0.830 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1CC1(C)C ZINC001373010533 988037986 /nfs/dbraw/zinc/03/79/86/988037986.db2.gz CSIOXPZGSDMEJG-HTQZYQBOSA-N -1 0 311.342 -0.644 20 0 DBADRM CCCC(=O)NC[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001373170266 988134358 /nfs/dbraw/zinc/13/43/58/988134358.db2.gz NYQVHCOWCLCQMR-SECBINFHSA-N -1 0 311.342 -0.546 20 0 DBADRM CCNS(=O)(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001596495663 1017153819 /nfs/dbraw/zinc/15/38/19/1017153819.db2.gz FIYYFJAHOPGQMY-UHFFFAOYSA-N -1 0 303.344 -0.533 20 0 DBADRM C[C@H](CCNC(=O)[C@H](C)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001373255656 988178406 /nfs/dbraw/zinc/17/84/06/988178406.db2.gz LZEKYYAOQTUPKH-HTQZYQBOSA-N -1 0 323.353 -0.047 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N[C@]1(CC(=O)[O-])CCOC1)C(C)=O ZINC001596525427 1017153852 /nfs/dbraw/zinc/15/38/52/1017153852.db2.gz BSZZLSDAFUCGLA-YGRLFVJLSA-N -1 0 315.322 -0.105 20 0 DBADRM O=C(CCc1ccncn1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373430842 988346999 /nfs/dbraw/zinc/34/69/99/988346999.db2.gz ILLDEIIJFBYWIH-UHFFFAOYSA-N -1 0 303.326 -0.767 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001373575149 988463222 /nfs/dbraw/zinc/46/32/22/988463222.db2.gz MEJNESIFFVOROY-DCAQKATOSA-N -1 0 322.369 -0.790 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(=O)NC(C)C)C2)c1[O-] ZINC001373624543 988498060 /nfs/dbraw/zinc/49/80/60/988498060.db2.gz IUWIRZQOGQLMSB-SNVBAGLBSA-N -1 0 309.370 -0.248 20 0 DBADRM CCN(C(=O)Cc1cc[nH]n1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373705405 988562356 /nfs/dbraw/zinc/56/23/56/988562356.db2.gz WFOZVTHIGFSVPP-LLVKDONJSA-N -1 0 319.369 -0.101 20 0 DBADRM CC[C@H](F)C(=O)NCCN(CC)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001373935865 988681853 /nfs/dbraw/zinc/68/18/53/988681853.db2.gz MBEIFSGUUQYEIK-ZETCQYMHSA-N -1 0 315.305 -0.391 20 0 DBADRM CCO[C@H](C)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001374125456 988794462 /nfs/dbraw/zinc/79/44/62/988794462.db2.gz REBZAVRNTMJJDJ-NXEZZACHSA-N -1 0 313.358 -0.748 20 0 DBADRM CCNS(=O)(=O)[C@@H]1CCN([C@H](CCC(=O)[O-])C(=O)OC)C1 ZINC001596495855 1017155025 /nfs/dbraw/zinc/15/50/25/1017155025.db2.gz LQIPPQDUAYYNMQ-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM CN(CCN(C)C(=O)CO[C@@H]1CCOC1)Cc1n[nH]c(=O)[n-]1 ZINC001374494975 988888080 /nfs/dbraw/zinc/88/80/80/988888080.db2.gz WOKNZGDENNPEFZ-SNVBAGLBSA-N -1 0 313.358 -0.794 20 0 DBADRM COc1nn(C)cc1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001374524379 988896746 /nfs/dbraw/zinc/89/67/46/988896746.db2.gz ORFGDUKGVCCPQL-UHFFFAOYSA-N -1 0 323.357 -0.544 20 0 DBADRM CCC(=O)NCC(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001536333860 1015431190 /nfs/dbraw/zinc/43/11/90/1015431190.db2.gz SJQPHKYTPYDLKZ-UHFFFAOYSA-N -1 0 323.353 -0.767 20 0 DBADRM CCc1ncncc1C(=O)N(C)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001597709340 988959133 /nfs/dbraw/zinc/95/91/33/988959133.db2.gz LQWKYSONLWAUBT-VHSXEESVSA-N -1 0 320.349 -0.052 20 0 DBADRM CCc1ncncc1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597709755 988962645 /nfs/dbraw/zinc/96/26/45/988962645.db2.gz WWMXBIIAPDHYJG-UWVGGRQHSA-N -1 0 318.333 -0.300 20 0 DBADRM CCc1nn(C)c(C(N)=O)c1NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001597711924 988972958 /nfs/dbraw/zinc/97/29/58/988972958.db2.gz HTBXQSBYPACKJQ-UHFFFAOYSA-N -1 0 320.309 -0.385 20 0 DBADRM CC[C@H](C)CC(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001374627319 989049049 /nfs/dbraw/zinc/04/90/49/989049049.db2.gz QFLHZNHBFJHCFV-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)CC(=O)[O-] ZINC001596519039 1017155212 /nfs/dbraw/zinc/15/52/12/1017155212.db2.gz JHYSZSRNXIPZTH-CIUDSAMLSA-N -1 0 302.327 -0.330 20 0 DBADRM CCC(=O)NCC1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001374780852 989209491 /nfs/dbraw/zinc/20/94/91/989209491.db2.gz PATXJGPDTFXXQX-UHFFFAOYSA-N -1 0 318.337 -0.944 20 0 DBADRM C[C@@H]1CN(C(=S)NCCCC(=O)[O-])CCN1S(C)(=O)=O ZINC001599864612 989224312 /nfs/dbraw/zinc/22/43/12/989224312.db2.gz YGTXDKPCSZPSNU-SECBINFHSA-N -1 0 323.440 -0.309 20 0 DBADRM C[C@@H]1CN(CC(=O)N=[S@@](C)(=O)N(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599865363 989241922 /nfs/dbraw/zinc/24/19/22/989241922.db2.gz ZPAVCYDCJNGECC-SNGHESPRSA-N -1 0 307.372 -0.739 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)Cc2cnn(C)n2)c1[O-] ZINC001375023375 989368556 /nfs/dbraw/zinc/36/85/56/989368556.db2.gz QERYKBHOGGYYNS-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cnc2n1CCC2 ZINC001375054730 989392698 /nfs/dbraw/zinc/39/26/98/989392698.db2.gz AAGYFWOLFRYMMD-SECBINFHSA-N -1 0 319.369 -0.097 20 0 DBADRM Cc1cc(CN(C)C[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001375074134 989407527 /nfs/dbraw/zinc/40/75/27/989407527.db2.gz QIDLTNCXOZWBDM-ZETCQYMHSA-N -1 0 322.325 -0.170 20 0 DBADRM Cc1nonc1CC(=O)N[C@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001375127765 989445860 /nfs/dbraw/zinc/44/58/60/989445860.db2.gz FVBDQYPYMSYGMZ-SSDOTTSWSA-N -1 0 309.330 -0.619 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC12CC2 ZINC001375167580 989467116 /nfs/dbraw/zinc/46/71/16/989467116.db2.gz IJTWLSMRIUBYRR-SFYZADRCSA-N -1 0 321.337 -0.293 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(F)F ZINC001375170061 989467179 /nfs/dbraw/zinc/46/71/79/989467179.db2.gz KYXFOSJCWGXFKF-ZCFIWIBFSA-N -1 0 321.284 -0.645 20 0 DBADRM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(C)C ZINC001375359009 989571699 /nfs/dbraw/zinc/57/16/99/989571699.db2.gz AAIRIGQBLUWCJY-ZYHUDNBSSA-N -1 0 324.385 -0.639 20 0 DBADRM CCNC(=O)CCCC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001375368170 989574821 /nfs/dbraw/zinc/57/48/21/989574821.db2.gz ZLPREFSXRHXRPO-SNVBAGLBSA-N -1 0 324.385 -0.493 20 0 DBADRM CC[C@@H](F)CN1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001375369825 989577348 /nfs/dbraw/zinc/57/73/48/989577348.db2.gz UPHLCQYAFJUDJN-RKDXNWHRSA-N -1 0 301.322 -0.372 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)C(C)(F)F ZINC001375571589 989662846 /nfs/dbraw/zinc/66/28/46/989662846.db2.gz SCMFMAJLMCEHMZ-RXMQYKEDSA-N -1 0 319.268 -0.580 20 0 DBADRM COCCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001375631038 989704216 /nfs/dbraw/zinc/70/42/16/989704216.db2.gz UWUHEJITDGJJJK-MNOVXSKESA-N -1 0 309.370 -0.173 20 0 DBADRM COCCC(=O)N(C)C1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001375639108 989707832 /nfs/dbraw/zinc/70/78/32/989707832.db2.gz AIZVZRIUZBKSGM-UHFFFAOYSA-N -1 0 319.365 -0.298 20 0 DBADRM CCC1(C(=O)NC[C@@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001376077013 989869039 /nfs/dbraw/zinc/86/90/39/989869039.db2.gz HIAZDWXMMZDKOB-AWEZNQCLSA-N -1 0 309.370 -0.247 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC001539090931 1015517300 /nfs/dbraw/zinc/51/73/00/1015517300.db2.gz FRRBVVFCCIXWLP-UHFFFAOYSA-N -1 0 320.280 -0.221 20 0 DBADRM CO[N-]C(=O)CNC(=O)Cn1cnc(-c2ccccc2)cc1=O ZINC001539091135 1015517372 /nfs/dbraw/zinc/51/73/72/1015517372.db2.gz JORKTNSLSUNWJI-UHFFFAOYSA-N -1 0 316.317 -0.296 20 0 DBADRM CO[N-]C(=O)CNC(=O)CCc1nc(-c2ncccn2)no1 ZINC001539090898 1015517735 /nfs/dbraw/zinc/51/77/35/1015517735.db2.gz FAIMWHAIFGSSMV-UHFFFAOYSA-N -1 0 306.282 -0.747 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC001539085597 1015518042 /nfs/dbraw/zinc/51/80/42/1015518042.db2.gz YTDZMCMCCCRNFH-UHFFFAOYSA-N -1 0 300.336 -0.361 20 0 DBADRM CCO[N-]C(=O)[C@H](NS(=O)(=O)c1cccs1)[C@@H](C)O ZINC001540567992 1015523148 /nfs/dbraw/zinc/52/31/48/1015523148.db2.gz ILWDBCHYLISJLT-VXNVDRBHSA-N -1 0 308.381 -0.157 20 0 DBADRM CCO[N-]C(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O ZINC001540567990 1015523584 /nfs/dbraw/zinc/52/35/84/1015523584.db2.gz ILWDBCHYLISJLT-CBAPKCEASA-N -1 0 308.381 -0.157 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc(Cn2cncn2)cc1 ZINC001540719706 1015526213 /nfs/dbraw/zinc/52/62/13/1015526213.db2.gz SNRVCYHCGOTVEH-UHFFFAOYSA-N -1 0 315.293 -0.032 20 0 DBADRM Cn1cc(CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)cn1 ZINC001542305229 1015532014 /nfs/dbraw/zinc/53/20/14/1015532014.db2.gz NRGHOVVBZXXLPJ-UHFFFAOYSA-N -1 0 314.305 -0.070 20 0 DBADRM CCOCCOC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001541057102 1015530954 /nfs/dbraw/zinc/53/09/54/1015530954.db2.gz MCGQJAQPALZGFO-UHFFFAOYSA-N -1 0 314.342 -0.267 20 0 DBADRM CCN(C(=O)Cc1cc(=O)n(CC(C)C)[n-]1)[C@@H]1CC(=O)NC1=O ZINC001542442220 1015532297 /nfs/dbraw/zinc/53/22/97/1015532297.db2.gz MTITYHMPQPIYIX-LLVKDONJSA-N -1 0 322.365 -0.362 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001376546617 990172452 /nfs/dbraw/zinc/17/24/52/990172452.db2.gz QKCMCJMXPUCASA-VXNVDRBHSA-N -1 0 314.342 -0.944 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C(C)C)c1[O-] ZINC001376580795 990198729 /nfs/dbraw/zinc/19/87/29/990198729.db2.gz GXIGSXZIWOEHQU-WCBMZHEXSA-N -1 0 312.370 -0.077 20 0 DBADRM CC(C)C(=O)N[C@H](C)CNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001376754935 990305055 /nfs/dbraw/zinc/30/50/55/990305055.db2.gz HLDCOWUTHVPWMD-SECBINFHSA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1n[nH]c(C(=O)NCCCNC(=O)[C@@]2(C)CCNC2=O)c1[O-] ZINC001491669458 1015556407 /nfs/dbraw/zinc/55/64/07/1015556407.db2.gz OVZZPIOKMPZXOR-CQSZACIVSA-N -1 0 323.353 -0.814 20 0 DBADRM CC[C@H](F)C(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001377086851 990439642 /nfs/dbraw/zinc/43/96/42/990439642.db2.gz LKBNKJMQJULLGV-BDAKNGLRSA-N -1 0 313.333 -0.282 20 0 DBADRM Cc1nccc(CCC(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001377196375 990479297 /nfs/dbraw/zinc/47/92/97/990479297.db2.gz IKCLQSKPEYRBIT-UHFFFAOYSA-N -1 0 319.369 -0.210 20 0 DBADRM C[C@H](CNC(=O)[C@@H]1CC12CC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001377204082 990482813 /nfs/dbraw/zinc/48/28/13/990482813.db2.gz LFFHLDYAOCULGQ-SFYZADRCSA-N -1 0 309.326 -0.890 20 0 DBADRM CCN(CCNC(=O)C[C@H]1CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001377350675 990541842 /nfs/dbraw/zinc/54/18/42/990541842.db2.gz RMCVUVQAJBJLMQ-SECBINFHSA-N -1 0 310.358 -0.883 20 0 DBADRM O=C(C[C@H]1CCNC1=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001377398986 990572117 /nfs/dbraw/zinc/57/21/17/990572117.db2.gz NUOKZHPHWKDURW-ZJUUUORDSA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2cn(C)nn2)c1[O-] ZINC001377540686 990646838 /nfs/dbraw/zinc/64/68/38/990646838.db2.gz YJCLPAMLGXKSOK-LURJTMIESA-N -1 0 307.314 -0.899 20 0 DBADRM CC[C@@H](C)C(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001377546374 990648550 /nfs/dbraw/zinc/64/85/50/990648550.db2.gz BNFUBKDIQZYGFG-SNVBAGLBSA-N -1 0 311.386 -0.001 20 0 DBADRM CCCN(C(=O)CNC(C)=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001377640211 990682506 /nfs/dbraw/zinc/68/25/06/990682506.db2.gz FASQOZCDWQGVPY-LLVKDONJSA-N -1 0 324.385 -0.541 20 0 DBADRM C[C@@H](CNC(=O)C(F)F)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001377746095 990719321 /nfs/dbraw/zinc/71/93/21/990719321.db2.gz YLVWRWNWPJKVQE-LURJTMIESA-N -1 0 321.284 -0.645 20 0 DBADRM CO[C@H](C)CN1CC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001377898669 990782354 /nfs/dbraw/zinc/78/23/54/990782354.db2.gz RUKIPBLHJUNEMA-SECBINFHSA-N -1 0 313.358 -0.695 20 0 DBADRM CCOC(=O)C1(C(=O)NCCC(=O)NCCC(=O)[O-])CC1 ZINC001596545067 1017157153 /nfs/dbraw/zinc/15/71/53/1017157153.db2.gz WGJPAOZXZLUMJP-UHFFFAOYSA-N -1 0 300.311 -0.573 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC(C)(F)F ZINC001377982790 990818069 /nfs/dbraw/zinc/81/80/69/990818069.db2.gz AHEJUVFJUMLYQZ-YFKPBYRVSA-N -1 0 319.268 -0.437 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001491709929 1015585540 /nfs/dbraw/zinc/58/55/40/1015585540.db2.gz HIYXDDXFEZAWOG-UWVGGRQHSA-N -1 0 317.349 -0.085 20 0 DBADRM O=C(COc1cccnc1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378081826 990851125 /nfs/dbraw/zinc/85/11/25/990851125.db2.gz GRIDWAVGADDUPO-JTQLQIEISA-N -1 0 318.337 -0.325 20 0 DBADRM CC(C)CC(=O)NC[C@@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001378221290 990886670 /nfs/dbraw/zinc/88/66/70/990886670.db2.gz PTPHNJFHJFXDPD-JTQLQIEISA-N -1 0 322.365 -0.137 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)CNCc2nnn(C)n2)c1[O-] ZINC001378557069 991033655 /nfs/dbraw/zinc/03/36/55/991033655.db2.gz SETCHXHCWPVVTN-SSDOTTSWSA-N -1 0 308.346 -0.897 20 0 DBADRM C[C@H](NC(=O)CCCC(N)=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001378597376 991058932 /nfs/dbraw/zinc/05/89/32/991058932.db2.gz VIDJEYNQWXQACE-QMMMGPOBSA-N -1 0 310.358 -0.898 20 0 DBADRM CC(F)(F)C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001378598886 991059693 /nfs/dbraw/zinc/05/96/93/991059693.db2.gz ZBJDOQLWVKNCRC-UHFFFAOYSA-N -1 0 317.252 -0.683 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)c3cnsn3)CC2)c1[O-] ZINC001378670665 991102433 /nfs/dbraw/zinc/10/24/33/991102433.db2.gz QIXOGDLWDFQZJK-UHFFFAOYSA-N -1 0 322.350 -0.032 20 0 DBADRM CO[C@@H](C)CC(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001378682448 991110768 /nfs/dbraw/zinc/11/07/68/991110768.db2.gz DVYHZTIZPBCQEJ-XWLWVQCSSA-N -1 0 309.370 -0.271 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNCc2ncnn2C)c1[O-] ZINC001378748195 991143318 /nfs/dbraw/zinc/14/33/18/991143318.db2.gz ALIXXKFWQYAZBP-MRVPVSSYSA-N -1 0 307.358 -0.197 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)[C@@H]2CCCNC2=O)c1[O-] ZINC001379043335 991296430 /nfs/dbraw/zinc/29/64/30/991296430.db2.gz UVNOJHXYOFJWGT-SNVBAGLBSA-N -1 0 309.370 -0.294 20 0 DBADRM CN(CCN(C)C(=O)c1ccc(=O)n(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001379071981 991313984 /nfs/dbraw/zinc/31/39/84/991313984.db2.gz BBFRHHNEAOOOBW-UHFFFAOYSA-N -1 0 320.353 -0.587 20 0 DBADRM CCOC(=O)C(NC(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)OCC ZINC001596534538 1017158157 /nfs/dbraw/zinc/15/81/57/1017158157.db2.gz JBKRXMGWIXXNMN-UHFFFAOYSA-N -1 0 312.278 -0.063 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN[C@H](C)c2ncccn2)c1[O-] ZINC001379184028 991393635 /nfs/dbraw/zinc/39/36/35/991393635.db2.gz CTIHGGYZHOKNMZ-NXEZZACHSA-N -1 0 320.353 -0.345 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)[C@@H](C)C(=O)N(C)C)c1[O-] ZINC001379647020 991832728 /nfs/dbraw/zinc/83/27/28/991832728.db2.gz RBLOWIWPJNPBGA-WPRPVWTQSA-N -1 0 311.386 -0.049 20 0 DBADRM C[C@H](CN(C)CC(N)=O)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001379759173 991887371 /nfs/dbraw/zinc/88/73/71/991887371.db2.gz AWTFDQJSXQRGPQ-SSDOTTSWSA-N -1 0 307.310 -0.536 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](CNCc2cnn(C)n2)C2CC2)c1[O-] ZINC001379854911 991973080 /nfs/dbraw/zinc/97/30/80/991973080.db2.gz CHLRQBYHLSGEHY-LLVKDONJSA-N -1 0 319.369 -0.150 20 0 DBADRM COC[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001379912493 992025622 /nfs/dbraw/zinc/02/56/22/992025622.db2.gz PTOADOYQEJJYSL-NXEZZACHSA-N -1 0 315.374 -0.956 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001379917513 992029465 /nfs/dbraw/zinc/02/94/65/992029465.db2.gz VMDDHBVEDKBSON-DCQANWLSSA-N -1 0 323.397 -0.193 20 0 DBADRM CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCC(=O)N1 ZINC001380001582 992091343 /nfs/dbraw/zinc/09/13/43/992091343.db2.gz VKXFMTYEGNSZOL-SNVBAGLBSA-N -1 0 324.385 -0.542 20 0 DBADRM CCc1nc(C(=O)NCC2(NCc3nc(=O)n(C)[nH]3)CC2)co1 ZINC001380067576 992120259 /nfs/dbraw/zinc/12/02/59/992120259.db2.gz BZWOJAKXTTZMSR-UHFFFAOYSA-N -1 0 320.353 -0.289 20 0 DBADRM CCc1c[nH]c(CC(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001380101226 992142113 /nfs/dbraw/zinc/14/21/13/992142113.db2.gz JHLUBWWDTDCCEB-UHFFFAOYSA-N -1 0 319.369 -0.223 20 0 DBADRM COCCN(CCNC(=O)c1cncn1C)Cc1n[nH]c(=O)[n-]1 ZINC001380105569 992144825 /nfs/dbraw/zinc/14/48/25/992144825.db2.gz RWXBKMDIPNFICW-UHFFFAOYSA-N -1 0 323.357 -0.878 20 0 DBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001380113166 992151153 /nfs/dbraw/zinc/15/11/53/992151153.db2.gz MFANOWGLAKDDSZ-ULHKAFAUSA-N -1 0 319.365 -0.328 20 0 DBADRM CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C1CN(CCF)C1 ZINC001380234937 992206423 /nfs/dbraw/zinc/20/64/23/992206423.db2.gz PMLNDMDBFKYPDN-UHFFFAOYSA-N -1 0 301.322 -0.418 20 0 DBADRM COCC1(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)CCC1 ZINC001380239446 992208506 /nfs/dbraw/zinc/20/85/06/992208506.db2.gz DZOOKZNXYYFCHY-UHFFFAOYSA-N -1 0 309.370 -0.030 20 0 DBADRM CN(C(=O)CCCn1ccnc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380254701 992213690 /nfs/dbraw/zinc/21/36/90/992213690.db2.gz IRMHCDWWTSWRLM-UHFFFAOYSA-N -1 0 319.369 -0.170 20 0 DBADRM CC[C@H](C)C(=O)NCC1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001380321858 992248624 /nfs/dbraw/zinc/24/86/24/992248624.db2.gz HTVJBAJHKNDURW-UEJVZZJDSA-N -1 0 323.353 -0.047 20 0 DBADRM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380466784 992323624 /nfs/dbraw/zinc/32/36/24/992323624.db2.gz YPTPPUAMYIJGOX-CQSZACIVSA-N -1 0 324.385 -0.635 20 0 DBADRM C[C@H](NC(=O)CCCF)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001380501920 992337732 /nfs/dbraw/zinc/33/77/32/992337732.db2.gz QXDPUUHPWSTLFY-YUMQZZPRSA-N -1 0 317.321 -0.552 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(CCC[C@H](C)O)C2)c1[O-] ZINC001380584964 992415631 /nfs/dbraw/zinc/41/56/31/992415631.db2.gz DNMZQWFSAZJQGX-VIFPVBQESA-N -1 0 312.370 -0.639 20 0 DBADRM CC(C)C(C)(C)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001380594466 992422465 /nfs/dbraw/zinc/42/24/65/992422465.db2.gz MUIRHRRVPDAWKD-UHFFFAOYSA-N -1 0 311.386 -0.145 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](C)[C@@H](C(=O)N3CCOCC3)C2)c1[O-] ZINC001549168429 1015709194 /nfs/dbraw/zinc/70/91/94/1015709194.db2.gz LTQYHPABGUGXOL-ONGXEEELSA-N -1 0 322.365 -0.009 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCC(=O)N[C@H]2c2cncn2C)c1[O-] ZINC001549169459 1015709382 /nfs/dbraw/zinc/70/93/82/1015709382.db2.gz ZIBLJLMXHJNOMX-GZMMTYOYSA-N -1 0 318.337 -0.093 20 0 DBADRM Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H](C(=O)N3CCOCC3)C2)c1[O-] ZINC001549168424 1015709463 /nfs/dbraw/zinc/70/94/63/1015709463.db2.gz LTQYHPABGUGXOL-GXSJLCMTSA-N -1 0 322.365 -0.009 20 0 DBADRM O=C(COCC1CC1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001380698964 992482045 /nfs/dbraw/zinc/48/20/45/992482045.db2.gz FIXQNEICHJHKDB-TXEJJXNPSA-N -1 0 321.381 -0.173 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(S(=O)(=O)N1CCCCC1)C2 ZINC001549181351 1015711460 /nfs/dbraw/zinc/71/14/60/1015711460.db2.gz WAQAIHPFKRMJET-PWSUYJOCSA-N -1 0 304.368 -0.250 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 ZINC001549230257 1015712298 /nfs/dbraw/zinc/71/22/98/1015712298.db2.gz OYVQNQJABHOPSW-ABAIWWIYSA-N -1 0 319.317 -0.629 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)CN1CCCCCC1=O)C2 ZINC001549227362 1015712318 /nfs/dbraw/zinc/71/23/18/1015712318.db2.gz APLYWXXPOMEBBA-ABAIWWIYSA-N -1 0 310.350 -0.051 20 0 DBADRM COCCn1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001549219680 1015712368 /nfs/dbraw/zinc/71/23/68/1015712368.db2.gz CJQPKSSLZAWOJK-HZMBPMFUSA-N -1 0 309.322 -0.297 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)CCNC(=O)c1ccco1)C2 ZINC001549228031 1015712454 /nfs/dbraw/zinc/71/24/54/1015712454.db2.gz CTSXEVGNFGIVHM-ZUZCIYMTSA-N -1 0 322.317 -0.041 20 0 DBADRM CNc1nc(C)cc(C(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC001549222086 1015712481 /nfs/dbraw/zinc/71/24/81/1015712481.db2.gz LYUAPLGPDGHKFK-LKFCYVNXSA-N -1 0 306.322 0.000 20 0 DBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549219975 1015712653 /nfs/dbraw/zinc/71/26/53/1015712653.db2.gz HFVIPADIWDBIRJ-ZSGNIPIJSA-N -1 0 322.317 -0.043 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001549227807 1015713297 /nfs/dbraw/zinc/71/32/97/1015713297.db2.gz FRWSSVQWOORCRD-OTYXRUKQSA-N -1 0 323.353 -0.470 20 0 DBADRM Cn1nnc2cc(C(=O)N3C[C@@H]4COC[C@@]4(C(=O)[O-])C3)cnc21 ZINC001549226287 1015713339 /nfs/dbraw/zinc/71/33/39/1015713339.db2.gz YLFAVTXNTRECNN-OTYXRUKQSA-N -1 0 317.305 -0.464 20 0 DBADRM CSCC(=O)N(C)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001380844395 992560860 /nfs/dbraw/zinc/56/08/60/992560860.db2.gz SNOJSEABCXYWBK-SSDOTTSWSA-N -1 0 317.371 -0.985 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(c1cncc(-n3cncn3)n1)C2 ZINC001549296650 1015718952 /nfs/dbraw/zinc/71/89/52/1015718952.db2.gz BPEXJMHUCPMIDH-TVQRCGJNSA-N -1 0 302.294 -0.405 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(c1cc(N3CCOCC3)ncn1)C2 ZINC001549299118 1015719282 /nfs/dbraw/zinc/71/92/82/1015719282.db2.gz OFLQRDKGSQCTER-ABAIWWIYSA-N -1 0 320.349 -0.149 20 0 DBADRM CC(=O)N[C@]1(c2nc(C)no2)CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001549305291 1015719867 /nfs/dbraw/zinc/71/98/67/1015719867.db2.gz RTQVSOIBKNWKEE-IMSIIYSGSA-N -1 0 322.321 -0.338 20 0 DBADRM Cn1nccc1[C@H]1[C@@H](NC(=O)[C@@H](C(=O)[O-])C2CC2)CC(=O)N1C ZINC001549303243 1015720192 /nfs/dbraw/zinc/72/01/92/1015720192.db2.gz IUMWAWGWECAFDA-TVYUQYBPSA-N -1 0 320.349 -0.081 20 0 DBADRM Cn1nccc1[C@@H]1[C@@H](NC(=O)[C@H](C(=O)[O-])C2CC2)CC(=O)N1C ZINC001549303242 1015720492 /nfs/dbraw/zinc/72/04/92/1015720492.db2.gz IUMWAWGWECAFDA-BIMULSAOSA-N -1 0 320.349 -0.081 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1C ZINC001549306852 1015722451 /nfs/dbraw/zinc/72/24/51/1015722451.db2.gz WEKQQHVECAZXOD-BONVTDFDSA-N -1 0 321.333 -0.430 20 0 DBADRM C[C@@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)C[C@@H]1C(=O)N1CCOCC1 ZINC001549401479 1015725555 /nfs/dbraw/zinc/72/55/55/1015725555.db2.gz ZZTCMYSGAIBWGV-MNOVXSKESA-N -1 0 322.365 -0.307 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)C[C@@H]1C(=O)N1CCOCC1 ZINC001549401482 1015726159 /nfs/dbraw/zinc/72/61/59/1015726159.db2.gz ZZTCMYSGAIBWGV-QWRGUYRKSA-N -1 0 322.365 -0.307 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)C[C@H]1C(=O)N1CCOCC1 ZINC001549401485 1015726493 /nfs/dbraw/zinc/72/64/93/1015726493.db2.gz ZZTCMYSGAIBWGV-WDEREUQCSA-N -1 0 322.365 -0.307 20 0 DBADRM CC(=O)N(C)CC(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001381281726 992742245 /nfs/dbraw/zinc/74/22/45/992742245.db2.gz KVESYTDKAOLHEN-NSHDSACASA-N -1 0 324.385 -0.589 20 0 DBADRM O=C(N[C@H]1C[C@@H](N2CCOCC2)C12CCC2)c1n[nH]c(=O)[n-]1 ZINC001549514560 1015730560 /nfs/dbraw/zinc/73/05/60/1015730560.db2.gz GSOPFOYMMZGXBA-VHSXEESVSA-N -1 0 307.354 -0.117 20 0 DBADRM CC[C@H](C)C(=O)N[C@H]1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001381454953 992807520 /nfs/dbraw/zinc/80/75/20/992807520.db2.gz AZJRALFTVJVICC-CIUDSAMLSA-N -1 0 323.353 -0.047 20 0 DBADRM C[C@H](CNC(=O)c1ccc(=O)[nH]n1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381530884 992827740 /nfs/dbraw/zinc/82/77/40/992827740.db2.gz AELUEAMTMJJILG-SSDOTTSWSA-N -1 0 307.314 -0.744 20 0 DBADRM Cc1cc(C)n(CC(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001381543914 992833876 /nfs/dbraw/zinc/83/38/76/992833876.db2.gz JVKILUYZBPIBLE-LLVKDONJSA-N -1 0 321.385 -0.040 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1ccns1 ZINC001381549598 992835335 /nfs/dbraw/zinc/83/53/35/992835335.db2.gz DUFADCDCWXGAKP-ZETCQYMHSA-N -1 0 324.366 -0.010 20 0 DBADRM C[C@H](C(N)=O)N(C)[C@@H](C)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001381607866 992848508 /nfs/dbraw/zinc/84/85/08/992848508.db2.gz KXVALIXSJODIPI-JGVFFNPUSA-N -1 0 321.337 -0.148 20 0 DBADRM C[C@@H](CNC(=O)CCc1cnn(C)c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001381623212 992851015 /nfs/dbraw/zinc/85/10/15/992851015.db2.gz XYEBSQNDPBERTB-JTQLQIEISA-N -1 0 321.385 -0.187 20 0 DBADRM CC[C@@H](C)CC(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001381657731 992860289 /nfs/dbraw/zinc/86/02/89/992860289.db2.gz WSAYDJORMGSWJM-SNVBAGLBSA-N -1 0 311.386 -0.001 20 0 DBADRM C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CN(CCF)C1 ZINC001381824002 992890930 /nfs/dbraw/zinc/89/09/30/992890930.db2.gz MSLKCLDRTYBMNL-SECBINFHSA-N -1 0 322.344 -0.523 20 0 DBADRM C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CN(CCF)C1 ZINC001381824004 992891242 /nfs/dbraw/zinc/89/12/42/992891242.db2.gz MSLKCLDRTYBMNL-VIFPVBQESA-N -1 0 322.344 -0.523 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)c2ncn(C)n2)c1[O-] ZINC001381948078 992933976 /nfs/dbraw/zinc/93/39/76/992933976.db2.gz NZFVVMILHXVTRK-ZETCQYMHSA-N -1 0 321.341 -0.557 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)Cc2nc[nH]n2)c1[O-] ZINC001381951542 992934953 /nfs/dbraw/zinc/93/49/53/992934953.db2.gz YZTUFKSRVWBZFA-ZETCQYMHSA-N -1 0 321.341 -0.639 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001596595598 1017162908 /nfs/dbraw/zinc/16/29/08/1017162908.db2.gz VCFYBLPGJJEHPG-NOZJJQNGSA-N -1 0 314.294 -0.868 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001382144701 993004909 /nfs/dbraw/zinc/00/49/09/993004909.db2.gz ZCLYPQJXHCLSOM-HRDYMLBCSA-N -1 0 311.342 -0.692 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)c1cccc(F)c1 ZINC001382174035 993017086 /nfs/dbraw/zinc/01/70/86/993017086.db2.gz LSVUTDWXDUXAAE-SNVBAGLBSA-N -1 0 309.301 -0.470 20 0 DBADRM CC[C@@H](SC)C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001382194472 993040789 /nfs/dbraw/zinc/04/07/89/993040789.db2.gz BZAYQSQXNSBKTO-JGVFFNPUSA-N -1 0 303.388 -0.781 20 0 DBADRM O=C(CCC(F)(F)F)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001382371439 993178317 /nfs/dbraw/zinc/17/83/17/993178317.db2.gz QHLAXXJECHSGCE-LURJTMIESA-N -1 0 309.248 -0.646 20 0 DBADRM Cc1ocnc1C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001382446020 993265915 /nfs/dbraw/zinc/26/59/15/993265915.db2.gz LOPZIWAAMNYWKU-VIFPVBQESA-N -1 0 324.341 -0.628 20 0 DBADRM Cc1ocnc1C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001382446017 993268074 /nfs/dbraw/zinc/26/80/74/993268074.db2.gz LOPZIWAAMNYWKU-SECBINFHSA-N -1 0 324.341 -0.628 20 0 DBADRM COCCN(CCNC(=O)c1cc(C)no1)Cc1n[nH]c(=O)[n-]1 ZINC001382529713 993337453 /nfs/dbraw/zinc/33/74/53/993337453.db2.gz RARBBIYGTUAYPB-UHFFFAOYSA-N -1 0 324.341 -0.315 20 0 DBADRM CCOC(=O)N1CC[C@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC001596646020 1017164530 /nfs/dbraw/zinc/16/45/30/1017164530.db2.gz GFFHDKQBYIUTOY-IUCAKERBSA-N -1 0 308.356 -0.143 20 0 DBADRM Cc1conc1CN(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001492323363 1015778000 /nfs/dbraw/zinc/77/80/00/1015778000.db2.gz BNINMMFBATYTLE-UHFFFAOYSA-N -1 0 308.298 -0.559 20 0 DBADRM CCC(=O)N1C[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001382709399 993405777 /nfs/dbraw/zinc/40/57/77/993405777.db2.gz WQJQSLMKQOGHAA-RKDXNWHRSA-N -1 0 323.353 -0.269 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)C2=COCCO2)c1[O-] ZINC001382717358 993406909 /nfs/dbraw/zinc/40/69/09/993406909.db2.gz GHZWWDNCJHXXIP-SFYZADRCSA-N -1 0 324.337 -0.065 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NC(=O)C2=COCCO2)c1[O-] ZINC001382717360 993406943 /nfs/dbraw/zinc/40/69/43/993406943.db2.gz GHZWWDNCJHXXIP-YUMQZZPRSA-N -1 0 324.337 -0.065 20 0 DBADRM COc1ccc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001492328483 1015780331 /nfs/dbraw/zinc/78/03/31/1015780331.db2.gz KYKOJSVLXJEWHW-UHFFFAOYSA-N -1 0 306.326 -0.224 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)C2CC2)c1[O-] ZINC001383105650 993542269 /nfs/dbraw/zinc/54/22/69/993542269.db2.gz QYGLSUCUWPUYIV-JTQLQIEISA-N -1 0 310.354 -0.275 20 0 DBADRM CCOC(=O)COCCN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001596628792 1017165395 /nfs/dbraw/zinc/16/53/95/1017165395.db2.gz KFAVBLGIUQBJDJ-ZDUSSCGKSA-N -1 0 316.310 -0.259 20 0 DBADRM CCOC(=O)NCCC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001596659063 1017165463 /nfs/dbraw/zinc/16/54/63/1017165463.db2.gz ICERTIGQIAGFPL-LLVKDONJSA-N -1 0 302.327 -0.193 20 0 DBADRM CC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001383636767 993691423 /nfs/dbraw/zinc/69/14/23/993691423.db2.gz ATHAZIQNHKZZTI-ZETCQYMHSA-N -1 0 311.342 -0.863 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)Cn1ncc3cccnc31)C2 ZINC001550344262 1015802477 /nfs/dbraw/zinc/80/24/77/1015802477.db2.gz GCEFGNVISIQKPA-XHDPSFHLSA-N -1 0 316.317 -0.009 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1C[C@@H]3COC[C@@]3(C(=O)[O-])C1)CC2 ZINC001550347403 1015802604 /nfs/dbraw/zinc/80/26/04/1015802604.db2.gz ZHSJADCGMOGHMM-FCHSOHFDSA-N -1 0 320.349 -0.520 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CCCF ZINC001383782580 993745414 /nfs/dbraw/zinc/74/54/14/993745414.db2.gz OWBSWRIRMXRQEG-SSDOTTSWSA-N -1 0 315.305 -0.391 20 0 DBADRM C[C@H](CN(C)C(=O)[C@@]1(C)CCC(=O)NC1)NC(=O)c1cn[nH]n1 ZINC001383805952 993752236 /nfs/dbraw/zinc/75/22/36/993752236.db2.gz JGVVFVXJHCZREP-OTYXRUKQSA-N -1 0 322.369 -0.702 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2C[C@H]2C2CC2)c1[O-] ZINC001383933135 993849126 /nfs/dbraw/zinc/84/91/26/993849126.db2.gz ZVHOKEGHHQPFML-OUAUKWLOSA-N -1 0 322.365 -0.323 20 0 DBADRM Cn1nccc1[C@@H]1[C@H](N=c2nn[n-]n2C)CCC(=O)N1C1CC1 ZINC001551185514 1015818349 /nfs/dbraw/zinc/81/83/49/1015818349.db2.gz XKXDYAQXBKIWGX-MFKMUULPSA-N -1 0 316.369 -0.328 20 0 DBADRM CC(=O)N1C[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@@H]1C ZINC001384089017 993955624 /nfs/dbraw/zinc/95/56/24/993955624.db2.gz VYNBYPQVJHKPNQ-WCBMZHEXSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(=O)N(C)C[C@@H](O)CNC(=O)c1n[n-]c2ccccc2c1=O ZINC001384160508 993972487 /nfs/dbraw/zinc/97/24/87/993972487.db2.gz ZXXYOLHKSZXDHX-JTQLQIEISA-N -1 0 318.333 -0.096 20 0 DBADRM CCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001384169653 993978644 /nfs/dbraw/zinc/97/86/44/993978644.db2.gz FBSGEGSZANKFTJ-JGVFFNPUSA-N -1 0 309.326 -0.293 20 0 DBADRM CCC(=O)NC[C@@H]1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001384169662 993979333 /nfs/dbraw/zinc/97/93/33/993979333.db2.gz FBSGEGSZANKFTJ-SFYZADRCSA-N -1 0 309.326 -0.293 20 0 DBADRM CCO[C@@H](C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1CC1 ZINC001596761759 1017167595 /nfs/dbraw/zinc/16/75/95/1017167595.db2.gz DMFMTSCLWSCCPN-SNVBAGLBSA-N -1 0 319.379 -0.050 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ccon1 ZINC001492981797 1015834700 /nfs/dbraw/zinc/83/47/00/1015834700.db2.gz DCYZENNYMYGPRZ-UHFFFAOYSA-N -1 0 308.298 -0.477 20 0 DBADRM Cc1noc(CCCC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001400446573 994149912 /nfs/dbraw/zinc/14/99/12/994149912.db2.gz GALGCXNRXOAPEX-UHFFFAOYSA-N -1 0 321.341 -0.475 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ncccn1 ZINC001493048440 1015842303 /nfs/dbraw/zinc/84/23/03/1015842303.db2.gz DBYFPJNSXQMAQP-UHFFFAOYSA-N -1 0 321.341 -0.882 20 0 DBADRM CCCC(=O)NC[C@@H](C)N(CC)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001384582953 994194301 /nfs/dbraw/zinc/19/43/01/994194301.db2.gz XNXKKKHUQOEDAA-SECBINFHSA-N -1 0 313.358 -0.157 20 0 DBADRM CCN(C(=O)C(C)C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001384619376 994202936 /nfs/dbraw/zinc/20/29/36/994202936.db2.gz NRTHVZBQUBMEMH-MRVPVSSYSA-N -1 0 311.342 -0.094 20 0 DBADRM CO[C@H]1CCCCN(CC(=O)N(C)C[C@@H](C)c2nnn[n-]2)C1=O ZINC001552122826 1015841832 /nfs/dbraw/zinc/84/18/32/1015841832.db2.gz WQIJNHQLLLBBSG-MNOVXSKESA-N -1 0 324.385 -0.211 20 0 DBADRM CO[C@H]1CCCCN(CC(=O)NCCc2nc(=O)o[n-]2)C1=O ZINC001552125094 1015841899 /nfs/dbraw/zinc/84/18/99/1015841899.db2.gz HRGCDTRTJNKZSP-VIFPVBQESA-N -1 0 312.326 -0.951 20 0 DBADRM CCN(CCNC(=O)c1cccn(C)c1=O)Cc1n[nH]c(=O)[n-]1 ZINC001493045046 1015843022 /nfs/dbraw/zinc/84/30/22/1015843022.db2.gz JKMJTFXKSYJXIM-UHFFFAOYSA-N -1 0 320.353 -0.539 20 0 DBADRM CC1CC(C(=O)NCC2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)C1 ZINC001400548039 994223584 /nfs/dbraw/zinc/22/35/84/994223584.db2.gz NWPNUSKOPOTTPY-UHFFFAOYSA-N -1 0 323.353 -0.500 20 0 DBADRM CCCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-] ZINC001400568445 994233448 /nfs/dbraw/zinc/23/34/48/994233448.db2.gz CCERHYGYSMULOT-QWRGUYRKSA-N -1 0 321.381 -0.151 20 0 DBADRM O=C(C[C@H]1CCCOC1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400568410 994234266 /nfs/dbraw/zinc/23/42/66/994234266.db2.gz UXDCLKNUVQCPPB-SNVBAGLBSA-N -1 0 309.370 -0.125 20 0 DBADRM CCO[N-]C(=O)CNC(=O)N1C[C@H](OC)C[C@@H]1c1ncc[nH]1 ZINC001552180951 1015845870 /nfs/dbraw/zinc/84/58/70/1015845870.db2.gz MKNZPYKBHMLXTN-NXEZZACHSA-N -1 0 311.342 -0.051 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400746012 994331462 /nfs/dbraw/zinc/33/14/62/994331462.db2.gz XKUXXMGTNDCYMT-SNVBAGLBSA-N -1 0 324.385 -0.542 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400746006 994331685 /nfs/dbraw/zinc/33/16/85/994331685.db2.gz XKUXXMGTNDCYMT-JTQLQIEISA-N -1 0 324.385 -0.542 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001385109101 994364492 /nfs/dbraw/zinc/36/44/92/994364492.db2.gz DHKYCJYLODMEOG-WCBMZHEXSA-N -1 0 323.353 -0.721 20 0 DBADRM C[C@@H]1CN(C(=O)NCCC(=O)[O-])C[C@@H]1C(=O)N1CCOCC1 ZINC001552372106 1015856697 /nfs/dbraw/zinc/85/66/97/1015856697.db2.gz RDNRWIRYNVREML-MNOVXSKESA-N -1 0 313.354 -0.403 20 0 DBADRM CC(C)NC(=O)CCNC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552403259 1015857589 /nfs/dbraw/zinc/85/75/89/1015857589.db2.gz QOQNNWSSRJGFOW-YGRLFVJLSA-N -1 0 313.354 -0.356 20 0 DBADRM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)NCCN1CCCC1=O)C2 ZINC001552397374 1015857681 /nfs/dbraw/zinc/85/76/81/1015857681.db2.gz FNXWTHKMTCGHKN-IINYFYTJSA-N -1 0 311.338 -0.649 20 0 DBADRM Cn1cc(CCNC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC001552404162 1015857803 /nfs/dbraw/zinc/85/78/03/1015857803.db2.gz USNNTEYFDVVOKD-SMDDNHRTSA-N -1 0 308.338 -0.295 20 0 DBADRM CCc1nncn1CCNC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001552401276 1015857812 /nfs/dbraw/zinc/85/78/12/1015857812.db2.gz GNKYVHXOUQMDMB-YGRLFVJLSA-N -1 0 323.353 -0.417 20 0 DBADRM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)NCc1nnnn1C1CC1)C2 ZINC001552396779 1015857917 /nfs/dbraw/zinc/85/79/17/1015857917.db2.gz ANRDLOJSHRZASY-OQPBUACISA-N -1 0 322.325 -0.749 20 0 DBADRM Cn1ccnc(NC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)c1=O ZINC001552378936 1015858017 /nfs/dbraw/zinc/85/80/17/1015858017.db2.gz SHPDQOHRRNSSQR-ISVAXAHUSA-N -1 0 308.294 -0.655 20 0 DBADRM Cn1ccc(CCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001552405554 1015858058 /nfs/dbraw/zinc/85/80/58/1015858058.db2.gz PUVGCHAMJBAHKV-HZMBPMFUSA-N -1 0 308.338 -0.295 20 0 DBADRM CC(=O)N(C)[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001385266702 994429266 /nfs/dbraw/zinc/42/92/66/994429266.db2.gz ORRZTCGZEGYPLM-JTQLQIEISA-N -1 0 311.342 -0.451 20 0 DBADRM C[C@H](NC[C@@H](O)COc1ccc(C(=O)[O-])cc1)c1nnnn1C ZINC001593246164 994446934 /nfs/dbraw/zinc/44/69/34/994446934.db2.gz IAWQLOQHZJMDMX-GXSJLCMTSA-N -1 0 321.337 -0.001 20 0 DBADRM CCCCC(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001385328652 994456076 /nfs/dbraw/zinc/45/60/76/994456076.db2.gz WXHXRCSEHLISFR-MRVPVSSYSA-N -1 0 309.326 -0.196 20 0 DBADRM CCC(=O)N1CCC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001385474990 994504006 /nfs/dbraw/zinc/50/40/06/994504006.db2.gz CVTJMXTYEACPIN-VIFPVBQESA-N -1 0 323.353 -0.267 20 0 DBADRM CCN(CC)C(=O)CNC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001552779076 1015867752 /nfs/dbraw/zinc/86/77/52/1015867752.db2.gz LYQJHPLVNRKJST-IINYFYTJSA-N -1 0 313.354 -0.403 20 0 DBADRM CN(CCN(C)C(=O)C[C@H]1CCCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001401375151 994546327 /nfs/dbraw/zinc/54/63/27/994546327.db2.gz DQBYHPFWIAFMPX-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM CN(CCC(=O)[O-])C(=O)[C@H]1CC[C@@H](C(=O)N2CCOCC2)O1 ZINC001552970989 1015871449 /nfs/dbraw/zinc/87/14/49/1015871449.db2.gz JREFGWUJSZODAN-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC001552970797 1015871715 /nfs/dbraw/zinc/87/17/15/1015871715.db2.gz LOBWPLBJYHRUSF-GMTAPVOTSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC[C@@H](C(=O)N2CCOCC2)O1 ZINC001552970802 1015872045 /nfs/dbraw/zinc/87/20/45/1015872045.db2.gz LOBWPLBJYHRUSF-VWYCJHECSA-N -1 0 314.338 -0.676 20 0 DBADRM CCOC(C)(C)CNC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001596768909 1017169975 /nfs/dbraw/zinc/16/99/75/1017169975.db2.gz XVUPNCFLSMFJIY-NXEZZACHSA-N -1 0 316.354 -0.382 20 0 DBADRM CCCC(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001386078788 994739401 /nfs/dbraw/zinc/73/94/01/994739401.db2.gz JEIRNXHQLSFTGG-VROVMSAKSA-N -1 0 309.326 -0.938 20 0 DBADRM C[C@@H](CNC(=O)C(F)F)NC(=O)c1c[n-]n2c1nccc2=O ZINC001386142008 994764118 /nfs/dbraw/zinc/76/41/18/994764118.db2.gz IWXQAQMLLASJLG-LURJTMIESA-N -1 0 313.264 -0.478 20 0 DBADRM C[C@@H](CNC(=O)C(C)(C)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001386142355 994764660 /nfs/dbraw/zinc/76/46/60/994764660.db2.gz FNBOPNRYFIKPSY-YFKPBYRVSA-N -1 0 301.278 -0.735 20 0 DBADRM C[C@@H](CNC(=O)C(F)F)NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001386146162 994767060 /nfs/dbraw/zinc/76/70/60/994767060.db2.gz ZQXGOYZZMJBPBG-YFKPBYRVSA-N -1 0 319.268 -0.899 20 0 DBADRM CCC[C@H](C)C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001386199900 994801045 /nfs/dbraw/zinc/80/10/45/994801045.db2.gz IXFWLISRYWDUNF-IUCAKERBSA-N -1 0 313.358 -0.254 20 0 DBADRM C[C@H](CN(C)Cc1ccn(C)n1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001401758167 994801970 /nfs/dbraw/zinc/80/19/70/994801970.db2.gz PMBMLZKFOACOBH-MRVPVSSYSA-N -1 0 321.341 -0.733 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001386208315 994805517 /nfs/dbraw/zinc/80/55/17/994805517.db2.gz KZTGCQXCTFOKPI-FSDSQADBSA-N -1 0 313.289 -0.592 20 0 DBADRM COC[C@H](OC)C(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001386225563 994810603 /nfs/dbraw/zinc/81/06/03/994810603.db2.gz GREXNYJQWUSWBZ-CBAPKCEASA-N -1 0 314.342 -0.680 20 0 DBADRM COC[C@@H](OC)C(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001386225567 994810984 /nfs/dbraw/zinc/81/09/84/994810984.db2.gz GREXNYJQWUSWBZ-VXNVDRBHSA-N -1 0 314.342 -0.680 20 0 DBADRM COC[C@H](OC)C(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001386225554 994811836 /nfs/dbraw/zinc/81/18/36/994811836.db2.gz GREXNYJQWUSWBZ-APPZFPTMSA-N -1 0 314.342 -0.680 20 0 DBADRM C[C@@]1(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)CCNC(=O)C1 ZINC001401888670 994841629 /nfs/dbraw/zinc/84/16/29/994841629.db2.gz BELKBGXNLNCYGF-LKFCYVNXSA-N -1 0 322.369 -0.883 20 0 DBADRM Cn1cc(CCC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)cn1 ZINC001401917153 994852938 /nfs/dbraw/zinc/85/29/38/994852938.db2.gz FJZWOCFDRXSGKI-LLVKDONJSA-N -1 0 319.369 -0.433 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@H]1CCN1CCCF ZINC001401930772 994858142 /nfs/dbraw/zinc/85/81/42/994858142.db2.gz WWMXFEBDNOHCGF-SNVBAGLBSA-N -1 0 322.344 -0.379 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001401972292 994873404 /nfs/dbraw/zinc/87/34/04/994873404.db2.gz CTRBSJHMQVWAAP-UHFFFAOYSA-N -1 0 310.358 -0.837 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402125088 994935192 /nfs/dbraw/zinc/93/51/92/994935192.db2.gz SIXPIQPXMJPLGO-SDBXPKJASA-N -1 0 310.358 -0.885 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001402125082 994935234 /nfs/dbraw/zinc/93/52/34/994935234.db2.gz SIXPIQPXMJPLGO-ISVAXAHUSA-N -1 0 310.358 -0.885 20 0 DBADRM C[C@@](O)(CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001402177234 994970431 /nfs/dbraw/zinc/97/04/31/994970431.db2.gz SGULWQBDVNDUNL-IINYFYTJSA-N -1 0 309.370 -0.248 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCN(CC(N)=O)C1 ZINC001402248781 995000500 /nfs/dbraw/zinc/00/05/00/995000500.db2.gz QKVJPFLSRRXIEW-SSDOTTSWSA-N -1 0 324.303 -0.881 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)Cc2cnoc2)c1[O-] ZINC001386723267 995049194 /nfs/dbraw/zinc/04/91/94/995049194.db2.gz MNRFHJZTMUAPPR-ZETCQYMHSA-N -1 0 307.310 -0.111 20 0 DBADRM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)[C@@H]1CCC(=O)NC1 ZINC001493385187 1015913083 /nfs/dbraw/zinc/91/30/83/1015913083.db2.gz DIHCAXRLLKXGGC-SECBINFHSA-N -1 0 322.369 -0.883 20 0 DBADRM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001596796335 1017171283 /nfs/dbraw/zinc/17/12/83/1017171283.db2.gz GIYOZIVLDJGENK-XFWSIPNHSA-N -1 0 305.352 -0.632 20 0 DBADRM CO[C@H](C)C(=O)N[C@H](C)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001386797398 995095936 /nfs/dbraw/zinc/09/59/36/995095936.db2.gz JOFKZQYGYAJSJB-RKDXNWHRSA-N -1 0 321.337 -0.708 20 0 DBADRM COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCCO ZINC001556278824 1015915835 /nfs/dbraw/zinc/91/58/35/1015915835.db2.gz HROIXCSFCIGTDL-QMMMGPOBSA-N -1 0 306.315 -0.517 20 0 DBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2c[n-]ncc2=O)C1 ZINC001556436301 1015920341 /nfs/dbraw/zinc/92/03/41/1015920341.db2.gz RUGKIWOKTHSVEC-WDEREUQCSA-N -1 0 311.338 -0.332 20 0 DBADRM C[C@H](CC(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001386983924 995200176 /nfs/dbraw/zinc/20/01/76/995200176.db2.gz QGZVFYFCWOTYFV-SFYZADRCSA-N -1 0 323.353 -0.047 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001387024970 995217974 /nfs/dbraw/zinc/21/79/74/995217974.db2.gz KAURYIKJGHKBJR-IONNQARKSA-N -1 0 314.317 -0.532 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@@H]2CCC(=O)N2C)c1[O-] ZINC001387040412 995229589 /nfs/dbraw/zinc/22/95/89/995229589.db2.gz AYRRVYMPEJMYHP-VIFPVBQESA-N -1 0 323.353 -0.767 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@]2(F)CCOC2)c1[O-] ZINC001387054450 995234602 /nfs/dbraw/zinc/23/46/02/995234602.db2.gz TVHVGEMHQYPTRP-CPFSXVBKSA-N -1 0 314.317 -0.213 20 0 DBADRM CCC(=O)N(CC)CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001387247752 995305349 /nfs/dbraw/zinc/30/53/49/995305349.db2.gz PBUGJFRXSWKJJI-UHFFFAOYSA-N -1 0 313.358 -0.156 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387372554 995333969 /nfs/dbraw/zinc/33/39/69/995333969.db2.gz CQMXYJJCBSLLJC-KXUCPTDWSA-N -1 0 323.353 -0.548 20 0 DBADRM C[C@H](CCNC(=O)CC1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001387368921 995335550 /nfs/dbraw/zinc/33/55/50/995335550.db2.gz HDWKFXBKIWLDOK-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM CCC(=O)NCC(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001402910726 995335690 /nfs/dbraw/zinc/33/56/90/995335690.db2.gz ZZCSQAYFTMLMSP-JTQLQIEISA-N -1 0 324.385 -0.541 20 0 DBADRM Cc1c(C(=O)Nn2c(=O)[n-][nH]c2=O)cnn1-c1ccncc1 ZINC001556824999 1015936433 /nfs/dbraw/zinc/93/64/33/1015936433.db2.gz CTOJAOFSEHKVQL-UHFFFAOYSA-N -1 0 301.266 -0.038 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C(=O)c2cn[nH]n2)C2CC2)c1[O-] ZINC001387478073 995361111 /nfs/dbraw/zinc/36/11/11/995361111.db2.gz ZWWUWFCHORZLMI-UHFFFAOYSA-N -1 0 319.325 -0.424 20 0 DBADRM CCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCN(C(C)=O)C1 ZINC001387575032 995382268 /nfs/dbraw/zinc/38/22/68/995382268.db2.gz NVPSSIVJEHUDJS-SECBINFHSA-N -1 0 309.326 -0.244 20 0 DBADRM CC(=O)N1CCC(CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001387630641 995396216 /nfs/dbraw/zinc/39/62/16/995396216.db2.gz ZTTVLFHOVGSSHC-UHFFFAOYSA-N -1 0 311.342 -0.594 20 0 DBADRM CCn1nccc1C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403118927 995413679 /nfs/dbraw/zinc/41/36/79/995413679.db2.gz ZMIJGWRQHPQCTQ-VIFPVBQESA-N -1 0 307.358 -0.023 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)Cc1cscn1 ZINC001403147275 995425182 /nfs/dbraw/zinc/42/51/82/995425182.db2.gz SXUQRHQJALTBOO-ZETCQYMHSA-N -1 0 324.366 -0.010 20 0 DBADRM C[C@@H](CNC(=O)CN1CCCCC1=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001403165901 995432733 /nfs/dbraw/zinc/43/27/33/995432733.db2.gz VQYIPTOKBGQPRE-JTQLQIEISA-N -1 0 324.385 -0.541 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CC12CCC2 ZINC001403241260 995466519 /nfs/dbraw/zinc/46/65/19/995466519.db2.gz RXJLVZWYRKXACB-SNVBAGLBSA-N -1 0 321.381 -0.247 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC12CCC2 ZINC001403241254 995467016 /nfs/dbraw/zinc/46/70/16/995467016.db2.gz RXJLVZWYRKXACB-JTQLQIEISA-N -1 0 321.381 -0.247 20 0 DBADRM C[C@H](NC(=O)CCn1ccnc1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001403338013 995490057 /nfs/dbraw/zinc/49/00/57/995490057.db2.gz XUKFHHRYUYQJSO-JTQLQIEISA-N -1 0 319.369 -0.266 20 0 DBADRM CCOC(=O)C(C)(C)O[N-]C(=O)CN1CCCCS1(=O)=O ZINC001557244933 1015948367 /nfs/dbraw/zinc/94/83/67/1015948367.db2.gz KJGPGRJJVYNSKU-UHFFFAOYSA-N -1 0 322.383 -0.199 20 0 DBADRM CCC(=O)NCC(=O)N1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001387856689 995513637 /nfs/dbraw/zinc/51/36/37/995513637.db2.gz AANBJDFZEUUBSN-UHFFFAOYSA-N -1 0 323.353 -0.862 20 0 DBADRM C[C@H]1C(=O)N([N-]C(=O)c2cc3n(n2)CCC[C@H]3O)C(=O)N1C ZINC001557579281 1015952841 /nfs/dbraw/zinc/95/28/41/1015952841.db2.gz XSQUWEPNPOJGJH-OIBJUYFYSA-N -1 0 307.310 -0.362 20 0 DBADRM CCOCC(=O)COC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001596862534 1017172520 /nfs/dbraw/zinc/17/25/20/1017172520.db2.gz XDQLQQGSQTZOSU-SNVBAGLBSA-N -1 0 301.295 -0.542 20 0 DBADRM Cc1cnc(CN[C@H](C)CN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001403621240 995601228 /nfs/dbraw/zinc/60/12/28/995601228.db2.gz FALIYQMPDIPXGY-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM C[C@@H](O)[C@@H](O)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC001557729556 1015958422 /nfs/dbraw/zinc/95/84/22/1015958422.db2.gz GZMWYEFFOVAOEL-HQJQHLMTSA-N -1 0 323.374 -0.306 20 0 DBADRM Cn1nnc(C(=O)N[C@@H](Cc2ccccc2)c2n[nH]c(=O)[n-]2)n1 ZINC001557910781 1015963666 /nfs/dbraw/zinc/96/36/66/1015963666.db2.gz HXRZOUDZFUHEMK-VIFPVBQESA-N -1 0 314.309 -0.252 20 0 DBADRM CC(=O)N[C@H]1CC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC001388315936 995652426 /nfs/dbraw/zinc/65/24/26/995652426.db2.gz RYICOHHCOJBCHU-MGCOHNPYSA-N -1 0 323.353 -0.221 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCCN1C(=O)C1CC1 ZINC001388333734 995654087 /nfs/dbraw/zinc/65/40/87/995654087.db2.gz RRUSKFBKLVHQDU-SECBINFHSA-N -1 0 309.326 -0.794 20 0 DBADRM Cc1cc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)c(C)n1C ZINC001403715312 995669206 /nfs/dbraw/zinc/66/92/06/995669206.db2.gz CABPINNNURRNAO-JTQLQIEISA-N -1 0 322.369 -0.654 20 0 DBADRM CN(CCNC(=O)CCc1ncccn1)Cc1n[nH]c(=O)[n-]1 ZINC001403717089 995670414 /nfs/dbraw/zinc/67/04/14/995670414.db2.gz OOCSNPWFMWBSAL-UHFFFAOYSA-N -1 0 305.342 -0.519 20 0 DBADRM C[C@H](CNC(=O)CCC1CC1)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001388410629 995681654 /nfs/dbraw/zinc/68/16/54/995681654.db2.gz CCGWHLOBEIOJIN-MRVPVSSYSA-N -1 0 323.353 -0.045 20 0 DBADRM C[C@@H](c1cnccn1)N(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001403755033 995690678 /nfs/dbraw/zinc/69/06/78/995690678.db2.gz UIGGPELDKHXTPW-VIFPVBQESA-N -1 0 321.341 -0.712 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)[C@@H]1CC12CC2 ZINC001388470399 995697668 /nfs/dbraw/zinc/69/76/68/995697668.db2.gz IXFTWKRDAGEUBA-SFYZADRCSA-N -1 0 321.337 -0.435 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001403773949 995699104 /nfs/dbraw/zinc/69/91/04/995699104.db2.gz CUEFQMGECPTFKH-MWLCHTKSSA-N -1 0 324.385 -0.542 20 0 DBADRM Cn1cc(-c2n[nH]cc2C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cn1 ZINC001558078912 1015968948 /nfs/dbraw/zinc/96/89/48/1015968948.db2.gz NKDQEEVROJDHRF-MRVPVSSYSA-N -1 0 313.325 -0.047 20 0 DBADRM CC[C@@H](F)CN1CC[C@@H]1CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001388656566 995723902 /nfs/dbraw/zinc/72/39/02/995723902.db2.gz BAIUFKOPOJUOSC-NXEZZACHSA-N -1 0 315.349 -0.030 20 0 DBADRM CC(=O)NC[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccccc1 ZINC001388710957 995739526 /nfs/dbraw/zinc/73/95/26/995739526.db2.gz DDFLVTZPOLLHFR-SNVBAGLBSA-N -1 0 317.305 -0.110 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCCN1Cc1ccon1 ZINC001404020583 995803894 /nfs/dbraw/zinc/80/38/94/995803894.db2.gz MTMJLZHBFLYSIH-JTQLQIEISA-N -1 0 322.325 -0.542 20 0 DBADRM O=C(Cn1ccnc1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001404098352 995817861 /nfs/dbraw/zinc/81/78/61/995817861.db2.gz GDPDQNIVSDEMAS-SNVBAGLBSA-N -1 0 305.342 -0.655 20 0 DBADRM COCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001404149544 995827035 /nfs/dbraw/zinc/82/70/35/995827035.db2.gz YTDMXRGZNFOGMJ-IUCAKERBSA-N -1 0 321.337 -0.708 20 0 DBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)NC(=O)C(C)(C)C ZINC001404206164 995835282 /nfs/dbraw/zinc/83/52/82/995835282.db2.gz AXRHSUWSLMEKED-BQBZGAKWSA-N -1 0 311.342 -0.048 20 0 DBADRM CC(C)C(=O)N[C@H](C)CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001389136545 995868603 /nfs/dbraw/zinc/86/86/03/995868603.db2.gz AUSXRZRGPLGKAR-MRVPVSSYSA-N -1 0 311.342 -0.508 20 0 DBADRM CC(C)CC(=O)N(C)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001404440554 995872705 /nfs/dbraw/zinc/87/27/05/995872705.db2.gz NHVBRYKBFCPLEI-SECBINFHSA-N -1 0 313.358 -0.302 20 0 DBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@H]1CC1(C)C ZINC001389324251 995936259 /nfs/dbraw/zinc/93/62/59/995936259.db2.gz SXDXECIJEUMHGX-WCBMZHEXSA-N -1 0 322.365 -0.234 20 0 DBADRM CC[C@@H](C)CC(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389322467 995936860 /nfs/dbraw/zinc/93/68/60/995936860.db2.gz CIQFBOAZUFDLAJ-SSDOTTSWSA-N -1 0 309.326 -0.340 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@]2(C)CCC(=O)N2)c1[O-] ZINC001389330147 995940276 /nfs/dbraw/zinc/94/02/76/995940276.db2.gz IZZYRAIQXCBMIX-WJWGPLDTSA-N -1 0 323.353 -0.673 20 0 DBADRM CC[C@@H](C)[C@H](C)C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001389404190 995969189 /nfs/dbraw/zinc/96/91/89/995969189.db2.gz WZTCUWGDIRIHCO-SFYZADRCSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C(CC1CCC1)NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001389405778 995969267 /nfs/dbraw/zinc/96/92/67/995969267.db2.gz DVHWBSCYIJNLOC-UHFFFAOYSA-N -1 0 322.413 -0.066 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001389438415 995981552 /nfs/dbraw/zinc/98/15/52/995981552.db2.gz SWWOWYYZQDIMCV-DJLDLDEBSA-N -1 0 323.353 -0.047 20 0 DBADRM CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001389459622 995995797 /nfs/dbraw/zinc/99/57/97/995995797.db2.gz JWMGXNNTUKKTHA-DTWKUNHWSA-N -1 0 310.358 -0.885 20 0 DBADRM CCCC(=O)N1CC(CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001389817997 996110119 /nfs/dbraw/zinc/11/01/19/996110119.db2.gz MCSHCKOCBRGYTC-UHFFFAOYSA-N -1 0 323.353 -0.410 20 0 DBADRM CC1(C(=O)NC2(CNC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)CCC1 ZINC001389925230 996140710 /nfs/dbraw/zinc/14/07/10/996140710.db2.gz UQSBPZVVUWPTTB-UHFFFAOYSA-N -1 0 321.337 -0.148 20 0 DBADRM CC(C)C(=O)N[C@]1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001390185853 996198811 /nfs/dbraw/zinc/19/88/11/996198811.db2.gz CUMYBNZTJZKGEF-CYBMUJFWSA-N -1 0 311.342 -0.548 20 0 DBADRM CCCC(=O)N[C@]1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001390194796 996200228 /nfs/dbraw/zinc/20/02/28/996200228.db2.gz XYTOHAAXKAWERA-CYBMUJFWSA-N -1 0 309.326 -0.196 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)C1(C(=O)OC)CCC1 ZINC001596884862 1017175115 /nfs/dbraw/zinc/17/51/15/1017175115.db2.gz SUWJRNUVHFDPBJ-SECBINFHSA-N -1 0 323.367 -0.167 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001596872752 1017175189 /nfs/dbraw/zinc/17/51/89/1017175189.db2.gz OMNNJZGKSRQQHW-MNOVXSKESA-N -1 0 302.327 -0.818 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001596872257 1017175257 /nfs/dbraw/zinc/17/52/57/1017175257.db2.gz FKZKFKZLUOOQQZ-VHSXEESVSA-N -1 0 322.383 -0.353 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)CC(=O)NCC2CC2)c1[O-] ZINC001390752781 996356879 /nfs/dbraw/zinc/35/68/79/996356879.db2.gz OESWHBRGVWRSOT-UHFFFAOYSA-N -1 0 309.370 -0.388 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)[C@@H]2CCCN(C)C2=O)c1[O-] ZINC001390755523 996359650 /nfs/dbraw/zinc/35/96/50/996359650.db2.gz WCKJWDBLBMKPJN-SNVBAGLBSA-N -1 0 309.370 -0.294 20 0 DBADRM CN(CCNC(=O)c1cnn(CCF)c1)Cc1n[nH]c(=O)[n-]1 ZINC001390785223 996371906 /nfs/dbraw/zinc/37/19/06/996371906.db2.gz UFYGINUDFZJGRP-UHFFFAOYSA-N -1 0 311.321 -0.462 20 0 DBADRM CCN(CCNC(=O)c1cnc[nH]c1=O)Cc1n[nH]c(=O)[n-]1 ZINC001390923865 996411300 /nfs/dbraw/zinc/41/13/00/996411300.db2.gz ZFWJDTYBYOIMCG-UHFFFAOYSA-N -1 0 307.314 -0.742 20 0 DBADRM CCN(CCNC(=O)CCc1cn[nH]n1)Cc1n[nH]c(=O)[n-]1 ZINC001390966339 996416750 /nfs/dbraw/zinc/41/67/50/996416750.db2.gz RFZXFMPKAGSAKZ-UHFFFAOYSA-N -1 0 308.346 -0.801 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001391053536 996430467 /nfs/dbraw/zinc/43/04/67/996430467.db2.gz TZLZFNJHTOIBRQ-ZJUUUORDSA-N -1 0 320.357 -0.556 20 0 DBADRM Cn1ccc(CC(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)n1 ZINC001391053347 996430613 /nfs/dbraw/zinc/43/06/13/996430613.db2.gz XYTUKCQQIWFZOX-NSHDSACASA-N -1 0 319.369 -0.433 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCn3cncc3C2)C1 ZINC001593762630 996432639 /nfs/dbraw/zinc/43/26/39/996432639.db2.gz POSYSWJGFFCKGL-OAHLLOKOSA-N -1 0 320.349 -0.061 20 0 DBADRM C[C@@]1(C(=O)NC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)CCC(=O)N1 ZINC001391061374 996434155 /nfs/dbraw/zinc/43/41/55/996434155.db2.gz LVILVSATSNHKOH-XPTSAGLGSA-N -1 0 322.369 -0.740 20 0 DBADRM C[C@](O)(CC(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001391086371 996445228 /nfs/dbraw/zinc/44/52/28/996445228.db2.gz QBLWVZRSLZEIKS-BMIGLBTASA-N -1 0 323.397 -0.001 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(CC(=O)N2CCC2)C2CC2)c1[O-] ZINC001391158624 996472769 /nfs/dbraw/zinc/47/27/69/996472769.db2.gz LGSFYBMFBSWBPH-UHFFFAOYSA-N -1 0 321.381 -0.150 20 0 DBADRM CCO[C@H](C)C(=O)NC1CN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001391406356 996533171 /nfs/dbraw/zinc/53/31/71/996533171.db2.gz GRTJCQTZXOECMV-SNVBAGLBSA-N -1 0 319.365 -0.252 20 0 DBADRM CC(=O)NC1(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)CCCC1 ZINC001391446032 996542487 /nfs/dbraw/zinc/54/24/87/996542487.db2.gz LJEMILOFVZLHKF-UHFFFAOYSA-N -1 0 322.369 -0.740 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2CN(CC(=O)NCC(C)C)C2)c1[O-] ZINC001391474489 996551300 /nfs/dbraw/zinc/55/13/00/996551300.db2.gz QCNHPNIVONNYSG-UHFFFAOYSA-N -1 0 323.397 -0.142 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391623104 996595993 /nfs/dbraw/zinc/59/59/93/996595993.db2.gz QLENNRTWKSRLJF-WDEREUQCSA-N -1 0 324.385 -0.542 20 0 DBADRM CN(CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)CC1CC1 ZINC001391711978 996615522 /nfs/dbraw/zinc/61/55/22/996615522.db2.gz OZTFDULPWLQGSG-UHFFFAOYSA-N -1 0 311.342 -0.594 20 0 DBADRM CC1(C)C[C@@H](NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CO1 ZINC001593853230 996630794 /nfs/dbraw/zinc/63/07/94/996630794.db2.gz BPWYCJMLKLGRCG-NXEZZACHSA-N -1 0 314.338 -0.628 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CN1CCC(CO)CC1 ZINC001596872759 1017176138 /nfs/dbraw/zinc/17/61/38/1017176138.db2.gz ORYSLVDELZOECH-GFCCVEGCSA-N -1 0 302.371 -0.361 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)CC(=O)NCC(=O)OC(C)(C)C ZINC001596877447 1017176187 /nfs/dbraw/zinc/17/61/87/1017176187.db2.gz NIROCPRLYQLSIU-SNVBAGLBSA-N -1 0 318.370 -0.134 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CN1CCCCC(=O)C1=O ZINC001596872832 1017176256 /nfs/dbraw/zinc/17/62/56/1017176256.db2.gz ROPKFRVVXUPYTC-SNVBAGLBSA-N -1 0 314.338 -0.484 20 0 DBADRM CN(CCN(C)C(=O)C[C@@H]1CCN(C)C1=O)Cc1n[nH]c(=O)[n-]1 ZINC001392282767 996775096 /nfs/dbraw/zinc/77/50/96/996775096.db2.gz CEWVPXRRHDNXTG-JTQLQIEISA-N -1 0 324.385 -0.731 20 0 DBADRM COc1cnc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)nc1 ZINC001392294307 996779358 /nfs/dbraw/zinc/77/93/58/996779358.db2.gz NKLMZFLLNDXKHQ-UHFFFAOYSA-N -1 0 321.341 -0.487 20 0 DBADRM CCC(=O)N(C)[C@@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001404444351 996782096 /nfs/dbraw/zinc/78/20/96/996782096.db2.gz IYBQFNBOIQVEEL-VIFPVBQESA-N -1 0 320.353 -0.556 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001599075538 996853030 /nfs/dbraw/zinc/85/30/30/996853030.db2.gz MAJBOZKUQLDKGM-CQSZACIVSA-N -1 0 321.289 -0.272 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccccc2OCC(N)=O)C1 ZINC001599075548 996853389 /nfs/dbraw/zinc/85/33/89/996853389.db2.gz MHAFMDGXOKXOSD-HNNXBMFYSA-N -1 0 322.317 -0.134 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=S)NCC(=O)NC(C)C)C1 ZINC001599075975 996865103 /nfs/dbraw/zinc/86/51/03/996865103.db2.gz FRGFDKFYDZWQPI-GFCCVEGCSA-N -1 0 303.384 -0.439 20 0 DBADRM CC1(C)CN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CCS1(=O)=O ZINC001593929154 996886830 /nfs/dbraw/zinc/88/68/30/996886830.db2.gz LLNQPEBIGLRVKL-RKDXNWHRSA-N -1 0 304.368 -0.074 20 0 DBADRM C[C@]1(CCC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)CCC(=O)N1 ZINC001404866068 996889836 /nfs/dbraw/zinc/88/98/36/996889836.db2.gz RMDHLBUAIPISCO-AWEZNQCLSA-N -1 0 322.369 -0.740 20 0 DBADRM CC1(C)CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC[C@H]1O ZINC001593946537 996996909 /nfs/dbraw/zinc/99/69/09/996996909.db2.gz LVBMOPSVTLURLB-MRVPVSSYSA-N -1 0 303.340 -0.111 20 0 DBADRM C[C@@H](CNCc1nccs1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001392577020 997050170 /nfs/dbraw/zinc/05/01/70/997050170.db2.gz WELGWJQFJNYKNW-LURJTMIESA-N -1 0 310.339 -0.353 20 0 DBADRM CC/C=C(/C)C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001493911601 1016090997 /nfs/dbraw/zinc/09/09/97/1016090997.db2.gz LDSAWBKACQDZIH-FWAPLPHYSA-N -1 0 323.353 -0.237 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1ccn(C)n1 ZINC001392660112 997121036 /nfs/dbraw/zinc/12/10/36/997121036.db2.gz XXPQUUDICIXHMU-JTQLQIEISA-N -1 0 321.385 -0.187 20 0 DBADRM CC1(C)NC(=O)N(CCCC(=O)NC[C@@H](O)CC(=O)[O-])C1=O ZINC001593968652 997122348 /nfs/dbraw/zinc/12/23/48/997122348.db2.gz ZXXWDMSUSGFFSS-QMMMGPOBSA-N -1 0 315.326 -0.951 20 0 DBADRM Cc1cnn(C)c1C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001392680115 997139964 /nfs/dbraw/zinc/13/99/64/997139964.db2.gz BRICMZAXHDIKMJ-VIFPVBQESA-N -1 0 307.358 -0.197 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001392686280 997145107 /nfs/dbraw/zinc/14/51/07/997145107.db2.gz NKBRLXYPEMAKGC-AEJSXWLSSA-N -1 0 324.385 -0.652 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001392701478 997154787 /nfs/dbraw/zinc/15/47/87/997154787.db2.gz KFXDQSJRFYIMKG-BDAKNGLRSA-N -1 0 310.358 -0.885 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001392701480 997155590 /nfs/dbraw/zinc/15/55/90/997155590.db2.gz KFXDQSJRFYIMKG-IUCAKERBSA-N -1 0 310.358 -0.885 20 0 DBADRM C[C@H](CN(C)Cc1ncccn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001392714673 997161350 /nfs/dbraw/zinc/16/13/50/997161350.db2.gz VUDXJSRZKIPUQF-SECBINFHSA-N -1 0 321.341 -0.884 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1CC(=O)N=[S@@](C)(=O)N(C)C ZINC001599193868 997178198 /nfs/dbraw/zinc/17/81/98/997178198.db2.gz YPJDQQDEAQMZEI-LAJNKCICSA-N -1 0 321.399 -0.347 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2ccncn2)c1[O-] ZINC001392748335 997181436 /nfs/dbraw/zinc/18/14/36/997181436.db2.gz DFFFTDZPMCDZAY-ZETCQYMHSA-N -1 0 304.310 -0.238 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1coc(C)n1 ZINC001405344111 997211964 /nfs/dbraw/zinc/21/19/64/997211964.db2.gz HAJWSQJRMXAVGI-SECBINFHSA-N -1 0 324.341 -0.330 20 0 DBADRM Cc1cc(CC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)no1 ZINC001392825927 997241080 /nfs/dbraw/zinc/24/10/80/997241080.db2.gz UYXVOEHEXLPFED-SNVBAGLBSA-N -1 0 306.326 -0.260 20 0 DBADRM O=C(CC1OCCCO1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001392827747 997244119 /nfs/dbraw/zinc/24/41/19/997244119.db2.gz HRMWMFBLHWLLGK-VIFPVBQESA-N -1 0 311.342 -0.646 20 0 DBADRM CS[C@H](C)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001393234149 997470605 /nfs/dbraw/zinc/47/06/05/997470605.db2.gz KBKIQVJKBMNBLF-PELKAZGASA-N -1 0 315.399 -0.685 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1=COCCC1 ZINC001393240631 997480562 /nfs/dbraw/zinc/48/05/62/997480562.db2.gz PLRLTUUJSYHDJE-AWEZNQCLSA-N -1 0 323.353 -0.742 20 0 DBADRM CCn1nccc1C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001406092914 997515488 /nfs/dbraw/zinc/51/54/88/997515488.db2.gz PSUZVSVKJXRPJA-UHFFFAOYSA-N -1 0 307.358 -0.069 20 0 DBADRM C[C@@H](C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001393295552 997551500 /nfs/dbraw/zinc/55/15/00/997551500.db2.gz IOXWVISDLZFPNX-PSASIEDQSA-N -1 0 323.353 -0.548 20 0 DBADRM O=C(CC1CCC1)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001393298090 997554576 /nfs/dbraw/zinc/55/45/76/997554576.db2.gz ONYQRPVZYVWYJT-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)c1ncccc1O ZINC001393301103 997557772 /nfs/dbraw/zinc/55/77/72/997557772.db2.gz CAQPIGPYRQBJDK-SNVBAGLBSA-N -1 0 306.322 -0.746 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001393310832 997568766 /nfs/dbraw/zinc/56/87/66/997568766.db2.gz SPRNMTYGCLKGMY-JZYVYDRUSA-N -1 0 307.354 -0.781 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C/C=C/Cl)C2)c1[O-] ZINC001393312204 997570062 /nfs/dbraw/zinc/57/00/62/997570062.db2.gz MEJYAVLXLJYWMI-NSCUHMNNSA-N -1 0 300.746 -0.047 20 0 DBADRM CCOCCCCNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001596907413 1017179095 /nfs/dbraw/zinc/17/90/95/1017179095.db2.gz HJZQEHCCMJMZLE-MNOVXSKESA-N -1 0 316.354 -0.380 20 0 DBADRM CC[C@@H](F)C(=O)N1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001393408863 997641151 /nfs/dbraw/zinc/64/11/51/997641151.db2.gz MQECXCATLGUTLR-JGVFFNPUSA-N -1 0 315.305 -0.846 20 0 DBADRM CCOCCN1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC001596929295 1017179133 /nfs/dbraw/zinc/17/91/33/1017179133.db2.gz YXBNGABXZLCQTP-UHFFFAOYSA-N -1 0 310.354 -0.238 20 0 DBADRM CCOC[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CC2)CCO1 ZINC001596897278 1017179180 /nfs/dbraw/zinc/17/91/80/1017179180.db2.gz OWIWCUVEBRQBHT-SNVBAGLBSA-N -1 0 307.368 -0.082 20 0 DBADRM C[C@H](C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1)C1CC1 ZINC001393587294 997755170 /nfs/dbraw/zinc/75/51/70/997755170.db2.gz WHJDMYYXYILUQW-ZETCQYMHSA-N -1 0 321.337 -0.293 20 0 DBADRM CN(CCCN(C)C(=O)Cc1cncn1C)Cc1n[nH]c(=O)[n-]1 ZINC001393646613 997787703 /nfs/dbraw/zinc/78/77/03/997787703.db2.gz YGWQIHRRFQCUSJ-UHFFFAOYSA-N -1 0 321.385 -0.233 20 0 DBADRM CO[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](C(=O)[O-])C1 ZINC001599123642 997791170 /nfs/dbraw/zinc/79/11/70/997791170.db2.gz UOSUCQTYFGZQTC-APPZFPTMSA-N -1 0 311.294 -0.810 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)CC(=O)NC(C)C)c1[O-] ZINC001406626643 997839766 /nfs/dbraw/zinc/83/97/66/997839766.db2.gz UBZIGRRFPSOQHZ-SECBINFHSA-N -1 0 311.386 -0.002 20 0 DBADRM C[C@@H](CN(C)Cc1ccns1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001406638098 997840927 /nfs/dbraw/zinc/84/09/27/997840927.db2.gz GGUUDKJCKIXNIY-ZETCQYMHSA-N -1 0 324.366 -0.010 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001406703602 997859065 /nfs/dbraw/zinc/85/90/65/997859065.db2.gz UYEYJNFKCGSYJH-GXSJLCMTSA-N -1 0 324.385 -0.542 20 0 DBADRM O=C(C[C@H]1CCCC(=O)N1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001406847897 997896864 /nfs/dbraw/zinc/89/68/64/997896864.db2.gz COEKLTICNJKDGC-ZJUUUORDSA-N -1 0 322.369 -0.740 20 0 DBADRM Cc1c(CC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)cnn1C ZINC001406858340 997904231 /nfs/dbraw/zinc/90/42/31/997904231.db2.gz MRWGVVFWCYKRDZ-LLVKDONJSA-N -1 0 319.369 -0.515 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)CCCC(N)=O)C2)c1[O-] ZINC001393970964 997910478 /nfs/dbraw/zinc/91/04/78/997910478.db2.gz DSINNLUGYXFZNL-UHFFFAOYSA-N -1 0 323.353 -0.638 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NCc3cnn(C)n3)CC2)c1[O-] ZINC001406905817 997929943 /nfs/dbraw/zinc/92/99/43/997929943.db2.gz JIFNQQZKHJMXPO-UHFFFAOYSA-N -1 0 305.342 -0.396 20 0 DBADRM Cc1ncncc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001406915357 997934942 /nfs/dbraw/zinc/93/49/42/997934942.db2.gz ZQUUPYBPILEIHN-UHFFFAOYSA-N -1 0 303.326 -0.339 20 0 DBADRM COc1cc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)nn1C ZINC001406953384 997952248 /nfs/dbraw/zinc/95/22/48/997952248.db2.gz FEKKEHMIUJOHCA-UHFFFAOYSA-N -1 0 321.341 -0.695 20 0 DBADRM CC(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001407017994 997976358 /nfs/dbraw/zinc/97/63/58/997976358.db2.gz NPQDXCFJPRIPHA-PHIMTYICSA-N -1 0 322.369 -0.788 20 0 DBADRM C[C@H](CNC(=O)CCc1ncccn1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001394118234 997989764 /nfs/dbraw/zinc/98/97/64/997989764.db2.gz VCYNKKJFMXCUNJ-SNVBAGLBSA-N -1 0 319.369 -0.130 20 0 DBADRM COCCN(CCO)C(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001599238547 997993660 /nfs/dbraw/zinc/99/36/60/997993660.db2.gz NEEIRKCRGFCGEZ-UHFFFAOYSA-N -1 0 316.335 -0.148 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1CCCC(=O)N1C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001394132325 997997235 /nfs/dbraw/zinc/99/72/35/997997235.db2.gz NLHYGQBZZNUPAH-UWVGGRQHSA-N -1 0 324.385 -0.542 20 0 DBADRM COCCN1C[C@@H](C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1=O ZINC001599239451 998009824 /nfs/dbraw/zinc/00/98/24/998009824.db2.gz DDMOQFHTTBXMEP-DDIVZENXSA-N -1 0 310.350 -0.149 20 0 DBADRM C[C@H](C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC001394153735 998014225 /nfs/dbraw/zinc/01/42/25/998014225.db2.gz OHQSEHLOYYFLKL-JTQLQIEISA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(CCC1CC1)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001407126600 998029867 /nfs/dbraw/zinc/02/98/67/998029867.db2.gz AKHXPPDHXXJRCP-SECBINFHSA-N -1 0 321.337 -0.196 20 0 DBADRM C[C@H](NC(=O)C[C@@H]1CCOC1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001394216271 998034558 /nfs/dbraw/zinc/03/45/58/998034558.db2.gz HZJDPZRMHWKAFY-UWVGGRQHSA-N -1 0 309.370 -0.127 20 0 DBADRM Cn1ccc(CC(=O)N[C@@]2(C)CCN(Cc3n[nH]c(=O)[n-]3)C2)n1 ZINC001407161905 998043023 /nfs/dbraw/zinc/04/30/23/998043023.db2.gz AUTSVHWTZMJNGL-AWEZNQCLSA-N -1 0 319.369 -0.433 20 0 DBADRM COC[C@H](OC)C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407165790 998047551 /nfs/dbraw/zinc/04/75/51/998047551.db2.gz KOHPANFBABVZPZ-ZANVPECISA-N -1 0 313.358 -0.748 20 0 DBADRM CC[C@@H](F)CN1CC([C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001394260490 998067181 /nfs/dbraw/zinc/06/71/81/998067181.db2.gz TUBWTFHUTVBMQK-WCBMZHEXSA-N -1 0 315.349 -0.126 20 0 DBADRM CCC(=O)NCC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001407342945 998115573 /nfs/dbraw/zinc/11/55/73/998115573.db2.gz BVMPKNAOXITLRG-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM O=C(NC[C@]1(O)CCN(CCF)C1)c1c[n-]n2c1nccc2=O ZINC001407375320 998145714 /nfs/dbraw/zinc/14/57/14/998145714.db2.gz QPZYUOGGNJYEFR-CQSZACIVSA-N -1 0 323.328 -0.841 20 0 DBADRM CCOCCOC[C@@H](O)CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001596934654 1017181348 /nfs/dbraw/zinc/18/13/48/1017181348.db2.gz QUIXNBBZRHZWPF-AXFHLTTASA-N -1 0 305.327 -0.851 20 0 DBADRM CC[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001407442010 998202206 /nfs/dbraw/zinc/20/22/06/998202206.db2.gz UHORVCRRGSUIBA-ZJUUUORDSA-N -1 0 311.386 -0.145 20 0 DBADRM CCN1CCO[C@H](CNC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001407499926 998242162 /nfs/dbraw/zinc/24/21/62/998242162.db2.gz WKYZXKCKJDLSLZ-SNVBAGLBSA-N -1 0 313.358 -0.694 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)CCCOC(C)=O ZINC001599150553 998290285 /nfs/dbraw/zinc/29/02/85/998290285.db2.gz RHZKUGLIZOXOFF-LLVKDONJSA-N -1 0 311.356 -0.261 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)CCN1CCOC1=O ZINC001599150626 998291478 /nfs/dbraw/zinc/29/14/78/998291478.db2.gz WJLIHMHKZGLSNO-NSHDSACASA-N -1 0 324.355 -0.762 20 0 DBADRM COC[C@@](C)(NC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1)C(=O)[O-] ZINC001599151363 998304134 /nfs/dbraw/zinc/30/41/34/998304134.db2.gz MTIWYVSINMJKHG-BXUZGUMPSA-N -1 0 324.337 -0.173 20 0 DBADRM C[C@@H](CC(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1)n1cccc1 ZINC001394640347 998327847 /nfs/dbraw/zinc/32/78/47/998327847.db2.gz BRGKGHXFVHSOIP-QWRGUYRKSA-N -1 0 322.369 -0.470 20 0 DBADRM COCC(=O)N[C@H]1C[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001407799934 998374843 /nfs/dbraw/zinc/37/48/43/998374843.db2.gz JZVVRSZXDPBDFK-ZKCHVHJHSA-N -1 0 320.305 -0.048 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001494295453 1016211636 /nfs/dbraw/zinc/21/16/36/1016211636.db2.gz FIHLJVUWBBTXJA-SECBINFHSA-N -1 0 323.353 -0.546 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)Cc1n[nH]c(=O)[n-]1 ZINC001407914315 998426483 /nfs/dbraw/zinc/42/64/83/998426483.db2.gz BWKBMINYMHNHGY-IAZYJMLFSA-N -1 0 309.370 -0.317 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)c1cccnc1 ZINC001394765419 998470341 /nfs/dbraw/zinc/47/03/41/998470341.db2.gz AGRFFEAUNACYRE-NSHDSACASA-N -1 0 320.353 -0.530 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2cncnc2)c1[O-] ZINC001408121559 998509065 /nfs/dbraw/zinc/50/90/65/998509065.db2.gz XKPHZRLABFGNJC-SSDOTTSWSA-N -1 0 304.310 -0.238 20 0 DBADRM COCCN(CCNC(=O)c1cnccn1)Cc1n[nH]c(=O)[n-]1 ZINC001394829354 998516726 /nfs/dbraw/zinc/51/67/26/998516726.db2.gz FMPJOAGQQYNMFA-UHFFFAOYSA-N -1 0 321.341 -0.821 20 0 DBADRM COCc1cc(C(=O)NC[C@@H](C)NC(=O)c2cn[nH]n2)no1 ZINC001408155527 998527457 /nfs/dbraw/zinc/52/74/57/998527457.db2.gz JLOLGNLMKJMJAH-SSDOTTSWSA-N -1 0 308.298 -0.513 20 0 DBADRM CCCC(=O)N[C@H](C)[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001394925786 998543201 /nfs/dbraw/zinc/54/32/01/998543201.db2.gz KJKHGIVWCJLXQR-BDAKNGLRSA-N -1 0 310.354 -0.091 20 0 DBADRM CC(C)C(=O)N[C@H](C)[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001394931595 998545707 /nfs/dbraw/zinc/54/57/07/998545707.db2.gz FSZLBXMHVJXNJX-BDAKNGLRSA-N -1 0 310.354 -0.235 20 0 DBADRM CC(C)C(=O)N[C@H](C)[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001394931608 998545833 /nfs/dbraw/zinc/54/58/33/998545833.db2.gz FSZLBXMHVJXNJX-RKDXNWHRSA-N -1 0 310.354 -0.235 20 0 DBADRM CCC(=O)N(C)CC(C)(C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001395003957 998571329 /nfs/dbraw/zinc/57/13/29/998571329.db2.gz IYTNNUIUSGOMEH-UHFFFAOYSA-N -1 0 311.342 -0.093 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CCC(F)F ZINC001408249083 998572210 /nfs/dbraw/zinc/57/22/10/998572210.db2.gz DATQGKGIMIGAAX-RXMQYKEDSA-N -1 0 319.268 -0.437 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1CC12CCC2 ZINC001408259448 998576307 /nfs/dbraw/zinc/57/63/07/998576307.db2.gz MBWSMDICWUZQGA-RKDXNWHRSA-N -1 0 323.353 -0.500 20 0 DBADRM C[C@@H](CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001408277771 998586619 /nfs/dbraw/zinc/58/66/19/998586619.db2.gz IIIQSDWGJPBRJE-ATEUNZGCSA-N -1 0 323.353 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)Cn2cccn2)c1[O-] ZINC001395062660 998591543 /nfs/dbraw/zinc/59/15/43/998591543.db2.gz GYJCGUZXMWWGRU-VIFPVBQESA-N -1 0 320.353 -0.103 20 0 DBADRM Cc1n[nH]c(C(=O)NCC[C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC001408455694 998632999 /nfs/dbraw/zinc/63/29/99/998632999.db2.gz HYUIDMZEAFNSAI-APPZFPTMSA-N -1 0 323.353 -0.673 20 0 DBADRM C[C@H](CCNC(=O)[C@]1(C)CCC(=O)NC1)NC(=O)c1cn[nH]n1 ZINC001408493537 998640759 /nfs/dbraw/zinc/64/07/59/998640759.db2.gz MBMUPYWUMCVCJN-YMTOWFKASA-N -1 0 322.369 -0.654 20 0 DBADRM CC(=O)N(C)CC(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001408525180 998649917 /nfs/dbraw/zinc/64/99/17/998649917.db2.gz SQVWHKXOEUSXHJ-UHFFFAOYSA-N -1 0 311.342 -0.910 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H](C)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001395628734 998697634 /nfs/dbraw/zinc/69/76/34/998697634.db2.gz JTMSGDUKSJQQOH-HTQZYQBOSA-N -1 0 317.321 -0.600 20 0 DBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(C)C ZINC001395634488 998698568 /nfs/dbraw/zinc/69/85/68/998698568.db2.gz ZFAQCTTVUHDFMB-SSDOTTSWSA-N -1 0 311.342 -0.094 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC23CCC3)c1[O-] ZINC001395727839 998745583 /nfs/dbraw/zinc/74/55/83/998745583.db2.gz CKCBSTUMODKEDC-ZJUUUORDSA-N -1 0 322.365 -0.179 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN(C)C(=O)C2(C)CC2)c1[O-] ZINC001396015420 998819348 /nfs/dbraw/zinc/81/93/48/998819348.db2.gz MWOJYLMYHQDTDS-VIFPVBQESA-N -1 0 310.354 -0.227 20 0 DBADRM CC(=O)NC[C@H](O)CN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001396030402 998821957 /nfs/dbraw/zinc/82/19/57/998821957.db2.gz AXIHLCZPZBZCBJ-QMMMGPOBSA-N -1 0 308.294 -0.503 20 0 DBADRM CC(=O)NCC(=O)N(C)C[C@H]1CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001396454056 998865689 /nfs/dbraw/zinc/86/56/89/998865689.db2.gz IVPYIBRHVKUHBO-SNVBAGLBSA-N -1 0 323.353 -0.767 20 0 DBADRM CC(=O)NCC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001396649909 998883220 /nfs/dbraw/zinc/88/32/20/998883220.db2.gz QJWAZXKDSLMCRF-VXNVDRBHSA-N -1 0 309.326 -0.483 20 0 DBADRM O=C(CC1CC1)NC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001396961679 998931902 /nfs/dbraw/zinc/93/19/02/998931902.db2.gz HTTJWXNQKOPBAA-SNVBAGLBSA-N -1 0 323.353 -0.500 20 0 DBADRM CC(C)C(=O)N[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001397046920 998951529 /nfs/dbraw/zinc/95/15/29/998951529.db2.gz IXHNDZMZPRFHRR-QMMMGPOBSA-N -1 0 309.326 -0.437 20 0 DBADRM CCNC(=O)CCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001397234038 998998176 /nfs/dbraw/zinc/99/81/76/998998176.db2.gz IPKDFMAXIGZYOX-ZJUUUORDSA-N -1 0 324.385 -0.494 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001397247309 999000612 /nfs/dbraw/zinc/00/06/12/999000612.db2.gz PUVBXBZSVBSZEG-QNSHHTMESA-N -1 0 323.353 -0.675 20 0 DBADRM CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001397272030 999006455 /nfs/dbraw/zinc/00/64/55/999006455.db2.gz KDPDTNCVOCSFIQ-IEBDPFPHSA-N -1 0 324.385 -0.496 20 0 DBADRM Cc1ccn(CC(=O)N[C@@H](C)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001397422681 999042559 /nfs/dbraw/zinc/04/25/59/999042559.db2.gz SWIWAVXOMAEDKO-VIFPVBQESA-N -1 0 320.353 -0.137 20 0 DBADRM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397446896 999050958 /nfs/dbraw/zinc/05/09/58/999050958.db2.gz MPEDGSBAIPDOSJ-UJNFCWOMSA-N -1 0 323.353 -0.644 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)COCC(F)F)c1[O-] ZINC001397509216 999067516 /nfs/dbraw/zinc/06/75/16/999067516.db2.gz USXVZBXSJIZNKX-LURJTMIESA-N -1 0 320.296 -0.060 20 0 DBADRM CC[C@@H](C)CC(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397518308 999070024 /nfs/dbraw/zinc/07/00/24/999070024.db2.gz OIOWDELIORJEQA-BDAKNGLRSA-N -1 0 313.358 -0.254 20 0 DBADRM CN(C[C@H]1CCN1C/C=C\Cl)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001397558207 999080200 /nfs/dbraw/zinc/08/02/00/999080200.db2.gz BENUTJMPRKFVCF-FIFYQCSRSA-N -1 0 315.761 -0.026 20 0 DBADRM COCCCOCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC001494462457 1016278915 /nfs/dbraw/zinc/27/89/15/1016278915.db2.gz VKQNWHBIVMVCBR-IWIIMEHWSA-N -1 0 323.353 -0.956 20 0 DBADRM O=C(COc1ccccc1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001494485878 1016290919 /nfs/dbraw/zinc/29/09/19/1016290919.db2.gz HFZJACAHMKTZAW-UHFFFAOYSA-N -1 0 303.322 -0.110 20 0 DBADRM CCN(CCNC(=O)C1CCC1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001398043784 999203422 /nfs/dbraw/zinc/20/34/22/999203422.db2.gz GLQQIUOTLPPJIZ-UHFFFAOYSA-N -1 0 309.326 -0.339 20 0 DBADRM CC[C@@H](C)C(=O)N(CC)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001398124664 999213082 /nfs/dbraw/zinc/21/30/82/999213082.db2.gz SJLIGRLMEYMDAP-MRVPVSSYSA-N -1 0 311.342 -0.093 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)NCC3CC3)C2)c1[O-] ZINC001398287422 999238839 /nfs/dbraw/zinc/23/88/39/999238839.db2.gz CZRQNMOMYVZOLF-NSHDSACASA-N -1 0 321.381 -0.246 20 0 DBADRM CC[C@@H](C)CC(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001398580210 999304984 /nfs/dbraw/zinc/30/49/84/999304984.db2.gz LZLZRNNITGLSSJ-MRVPVSSYSA-N -1 0 311.342 -0.548 20 0 DBADRM CC(C)C(C)(C)C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001398599988 999311797 /nfs/dbraw/zinc/31/17/97/999311797.db2.gz ZSYCVWCHZRLNNU-UHFFFAOYSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C(CCCF)N1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001398606884 999314678 /nfs/dbraw/zinc/31/46/78/999314678.db2.gz RGMMZKPMIZPARE-UHFFFAOYSA-N -1 0 321.312 -0.287 20 0 DBADRM COC[C@@H](C)C(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001398741630 999349395 /nfs/dbraw/zinc/34/93/95/999349395.db2.gz SULCONVGDDLHPZ-MRVPVSSYSA-N -1 0 310.354 -0.106 20 0 DBADRM O=C(CC1CCC1)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001398748697 999350940 /nfs/dbraw/zinc/35/09/40/999350940.db2.gz ZWJMOKZNDZAXMD-UHFFFAOYSA-N -1 0 321.337 -0.339 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)Cn2cncn2)c1[O-] ZINC001399333351 999413673 /nfs/dbraw/zinc/41/36/73/999413673.db2.gz BOUPJJVDLSVMBA-QMMMGPOBSA-N -1 0 321.341 -0.802 20 0 DBADRM CCCC(=O)NC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(C)C ZINC001399553309 999444117 /nfs/dbraw/zinc/44/41/17/999444117.db2.gz MKUGIJDFNHOEMB-SECBINFHSA-N -1 0 313.358 -0.254 20 0 DBADRM CN(CCNC(=O)c1cnn(C(F)F)c1)Cc1n[nH]c(=O)[n-]1 ZINC001399586715 999449713 /nfs/dbraw/zinc/44/97/13/999449713.db2.gz CRVMAXIBGPHBRB-UHFFFAOYSA-N -1 0 315.284 -0.036 20 0 DBADRM Cc1cnc(CN(C)CCNC(=O)Cn2c(=O)[n-][nH]c2=O)nc1 ZINC001399649471 999456981 /nfs/dbraw/zinc/45/69/81/999456981.db2.gz PHPVHALKNIQJON-UHFFFAOYSA-N -1 0 321.341 -0.964 20 0 DBADRM CC(C)CC(=O)NC[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001494569259 1016325822 /nfs/dbraw/zinc/32/58/22/1016325822.db2.gz DFSJDSNVMYCFTK-SECBINFHSA-N -1 0 310.354 -0.234 20 0 DBADRM CCOCC1(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001494568347 1016325858 /nfs/dbraw/zinc/32/58/58/1016325858.db2.gz SSRITXJXMSEIBA-UHFFFAOYSA-N -1 0 309.370 -0.125 20 0 DBADRM CCC(=O)NCC(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001399938862 999529324 /nfs/dbraw/zinc/52/93/24/999529324.db2.gz IDPMGEGICVSCMZ-SSDOTTSWSA-N -1 0 311.342 -0.816 20 0 DBADRM CCCN(CCNC(=O)c1cn(CC)nn1)Cc1n[nH]c(=O)[n-]1 ZINC001399973282 999536043 /nfs/dbraw/zinc/53/60/43/999536043.db2.gz JIWHNVIZMZAYDR-UHFFFAOYSA-N -1 0 322.373 -0.236 20 0 DBADRM CCOc1ccc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])cc1 ZINC001597112784 1017187322 /nfs/dbraw/zinc/18/73/22/1017187322.db2.gz XEJLQZBHVOEUGW-SNVBAGLBSA-N -1 0 310.306 -0.024 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001597216017 1017190656 /nfs/dbraw/zinc/19/06/56/1017190656.db2.gz ODQJYZZXPXLGOA-UHFFFAOYSA-N -1 0 304.328 -0.662 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)Nc2nn(C)cc2C(=O)[O-])C1 ZINC001597202895 1017189476 /nfs/dbraw/zinc/18/94/76/1017189476.db2.gz FRVFZLRSXSFPMA-UHFFFAOYSA-N -1 0 316.339 -0.231 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-] ZINC001597224182 1017190765 /nfs/dbraw/zinc/19/07/65/1017190765.db2.gz NCAGPIVHGJKWGJ-UWVGGRQHSA-N -1 0 324.399 -0.349 20 0 DBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001597221044 1017190831 /nfs/dbraw/zinc/19/08/31/1017190831.db2.gz FYLLGCNGFKFGKS-VWYCJHECSA-N -1 0 318.395 -0.115 20 0 DBADRM CCS(=O)(=O)NCC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001597224755 1017190978 /nfs/dbraw/zinc/19/09/78/1017190978.db2.gz FYUHVAVXANCGGB-UHFFFAOYSA-N -1 0 308.356 -0.934 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001597225899 1017192937 /nfs/dbraw/zinc/19/29/37/1017192937.db2.gz XRGZOCDIXJKQHN-QMMMGPOBSA-N -1 0 310.397 -0.798 20 0 DBADRM CC[S@](=O)CCNC(=O)COCc1ocnc1C(=O)[O-] ZINC001597249428 1017193041 /nfs/dbraw/zinc/19/30/41/1017193041.db2.gz KAWCHRZQPPTHGJ-FQEVSTJZSA-N -1 0 304.324 -0.226 20 0 DBADRM CC[S@@](=O)CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001597249073 1017193410 /nfs/dbraw/zinc/19/34/10/1017193410.db2.gz GEBRKTZIBDPFLU-QONUSYMYSA-N -1 0 318.395 -0.560 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC001597225218 1017194153 /nfs/dbraw/zinc/19/41/53/1017194153.db2.gz NYXVRDQKYNWBNG-NSHDSACASA-N -1 0 316.335 -0.427 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001591035810 1016375555 /nfs/dbraw/zinc/37/55/55/1016375555.db2.gz IWZGFIYMDSACQE-GXSJLCMTSA-N -1 0 322.383 -0.738 20 0 DBADRM CC(C)[C@@H](OC(=O)CN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001591040885 1016376395 /nfs/dbraw/zinc/37/63/95/1016376395.db2.gz RZOTWSZNRSFMDD-LLVKDONJSA-N -1 0 322.383 -0.784 20 0 DBADRM CN(CC(F)F)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001591043780 1016376533 /nfs/dbraw/zinc/37/65/33/1016376533.db2.gz GVXUMMNWDRUGAN-UHFFFAOYSA-N -1 0 301.261 -0.635 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@H]2CCN(C)C2=O)c1[O-] ZINC001494678614 1016376938 /nfs/dbraw/zinc/37/69/38/1016376938.db2.gz MAHFKUABLODOCK-VXNVDRBHSA-N -1 0 323.353 -0.863 20 0 DBADRM CN(C[C@H]1CCOC1)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591063168 1016378883 /nfs/dbraw/zinc/37/88/83/1016378883.db2.gz PBPDVPHGSCMBKX-SECBINFHSA-N -1 0 324.366 -0.081 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)C[C@@H]2COC(=O)C2)c1[O-] ZINC001494682927 1016379102 /nfs/dbraw/zinc/37/91/02/1016379102.db2.gz ZEPLLPDFKVXYJQ-CBAPKCEASA-N -1 0 324.337 -0.389 20 0 DBADRM CN(CC1=CCSC1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591050242 1016379359 /nfs/dbraw/zinc/37/93/59/1016379359.db2.gz DYJZXQUIDAVVQV-UHFFFAOYSA-N -1 0 321.366 -0.637 20 0 DBADRM CC(C)C1(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001591058033 1016380006 /nfs/dbraw/zinc/38/00/06/1016380006.db2.gz KXUUJAMZWSMCIG-WDEREUQCSA-N -1 0 324.377 -0.167 20 0 DBADRM CCc1cc(CNC(=O)NCCC(=O)NCCC(=O)[O-])[nH]n1 ZINC001597478139 1017201008 /nfs/dbraw/zinc/20/10/08/1017201008.db2.gz CNYZQJIPHAVVBL-UHFFFAOYSA-N -1 0 311.342 -0.248 20 0 DBADRM CC(C)[C@@H]1CCN1C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001591091927 1016387098 /nfs/dbraw/zinc/38/70/98/1016387098.db2.gz BABVSMCVAYPQSJ-JTQLQIEISA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)CC(=O)N1CC(CCO)(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001591105165 1016388642 /nfs/dbraw/zinc/38/86/42/1016388642.db2.gz OVNUGLBUZRGNIC-QWRGUYRKSA-N -1 0 312.366 -0.167 20 0 DBADRM CC(C)C[C@H](C(N)=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001591123929 1016392142 /nfs/dbraw/zinc/39/21/42/1016392142.db2.gz BLKYBMIDQUATIR-YMTOWFKASA-N -1 0 311.338 -0.034 20 0 DBADRM Cc1cc(C(=O)N(C)CCNC(=O)c2[nH]nc(C)c2[O-])n(C)n1 ZINC001408549117 1000218550 /nfs/dbraw/zinc/21/85/50/1000218550.db2.gz AKKJKRHJZFRDCR-UHFFFAOYSA-N -1 0 320.353 -0.032 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@H]1CC12CC2 ZINC001408773453 1000294440 /nfs/dbraw/zinc/29/44/40/1000294440.db2.gz GEDJGJRVWOREIM-MRVPVSSYSA-N -1 0 321.337 -0.339 20 0 DBADRM CC(C)C[C@H](CO)N(C)C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001591162917 1016402460 /nfs/dbraw/zinc/40/24/60/1016402460.db2.gz PVEAZNMCJRQENM-GMTAPVOTSA-N -1 0 300.355 -0.311 20 0 DBADRM Cc1n[nH]c(C(=O)NC2CN(CC(=O)N[C@H](C)C3CC3)C2)c1[O-] ZINC001421023853 1000333590 /nfs/dbraw/zinc/33/35/90/1000333590.db2.gz HTPSAJVVABWNAU-MRVPVSSYSA-N -1 0 321.381 -0.248 20 0 DBADRM CCOCC(=O)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001421035344 1000337342 /nfs/dbraw/zinc/33/73/42/1000337342.db2.gz JDSMIJXYBSWBBX-AWEZNQCLSA-N -1 0 309.370 -0.029 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CCN2CCOC[C@@H]2C1)C(=O)[O-] ZINC001591168435 1016405815 /nfs/dbraw/zinc/40/58/15/1016405815.db2.gz YEOXNEZWKDTQCY-STQMWFEESA-N -1 0 313.398 -0.382 20 0 DBADRM COCC1(CC(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001421057953 1000347684 /nfs/dbraw/zinc/34/76/84/1000347684.db2.gz SWQSLGNNJSMIJZ-UHFFFAOYSA-N -1 0 309.370 -0.030 20 0 DBADRM CCC(=O)NCC1CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001409116226 1000369069 /nfs/dbraw/zinc/36/90/69/1000369069.db2.gz BVGTYJVURVFPEQ-UHFFFAOYSA-N -1 0 303.322 -0.379 20 0 DBADRM O=C(CCn1cccn1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421113364 1000369748 /nfs/dbraw/zinc/36/97/48/1000369748.db2.gz CHVXUOOBZSFPGB-UHFFFAOYSA-N -1 0 305.342 -0.655 20 0 DBADRM Cc1cncn1CC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421142829 1000384682 /nfs/dbraw/zinc/38/46/82/1000384682.db2.gz ACVVBOZGYWSFHY-UHFFFAOYSA-N -1 0 305.342 -0.737 20 0 DBADRM CC1(C(=O)N2CC(CNC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CCC1 ZINC001409165902 1000388068 /nfs/dbraw/zinc/38/80/68/1000388068.db2.gz MAOLNPXBSDIMPA-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM C[C@@H](CC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC001421171562 1000394125 /nfs/dbraw/zinc/39/41/25/1000394125.db2.gz NKRVLVLDZWWXLB-JTQLQIEISA-N -1 0 319.369 -0.094 20 0 DBADRM CCN(C(=O)[C@H](C)NC(C)=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421355611 1000460028 /nfs/dbraw/zinc/46/00/28/1000460028.db2.gz QMHSXEOJFSOFIG-ONGXEEELSA-N -1 0 324.385 -0.542 20 0 DBADRM C[C@@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001409610978 1000485987 /nfs/dbraw/zinc/48/59/87/1000485987.db2.gz PNGGPHWCAUIENP-XPTSAGLGSA-N -1 0 324.385 -0.637 20 0 DBADRM C[C@@H](CNC(=O)CCc1cnn(C)n1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001409616627 1000486746 /nfs/dbraw/zinc/48/67/46/1000486746.db2.gz LFJVKMXNVULCFF-VIFPVBQESA-N -1 0 322.373 -0.792 20 0 DBADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001421461316 1000518471 /nfs/dbraw/zinc/51/84/71/1000518471.db2.gz GRNGWCQYEOUVFB-NXEZZACHSA-N -1 0 323.397 -0.145 20 0 DBADRM C[C@H](NC(=O)Cn1cccn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001409843169 1000538511 /nfs/dbraw/zinc/53/85/11/1000538511.db2.gz FAHDKDCAAHXFBU-VIFPVBQESA-N -1 0 305.342 -0.657 20 0 DBADRM CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001410022254 1000576296 /nfs/dbraw/zinc/57/62/96/1000576296.db2.gz BGGFPYGLBOOGKS-NXEZZACHSA-N -1 0 323.353 -0.364 20 0 DBADRM COC[C@@H](C)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001421695374 1000594893 /nfs/dbraw/zinc/59/48/93/1000594893.db2.gz URHDGYNCHGHKJH-ZJUUUORDSA-N -1 0 313.358 -0.890 20 0 DBADRM CC(=O)NC[C@@H](O)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001410079305 1000604128 /nfs/dbraw/zinc/60/41/28/1000604128.db2.gz WKVKIQGZKGXVBQ-SSDOTTSWSA-N -1 0 313.276 -0.943 20 0 DBADRM CC(F)(F)CC(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001421795994 1000628069 /nfs/dbraw/zinc/62/80/69/1000628069.db2.gz APHPQMFQNOTTQZ-QMMMGPOBSA-N -1 0 319.312 -0.127 20 0 DBADRM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCOC1 ZINC001410125415 1000635586 /nfs/dbraw/zinc/63/55/86/1000635586.db2.gz ZERXUDTXLJVLFX-ZVXAKGHKSA-N -1 0 321.381 -0.269 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)CCC1CC1 ZINC001410193368 1000672471 /nfs/dbraw/zinc/67/24/71/1000672471.db2.gz ZAQQABUQPFWWOI-SECBINFHSA-N -1 0 322.365 -0.089 20 0 DBADRM CNC(=O)CCCN(C)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591207230 1016426962 /nfs/dbraw/zinc/42/69/62/1016426962.db2.gz WTKRIBASAVZEQI-QMMMGPOBSA-N -1 0 321.345 -0.996 20 0 DBADRM O=C(C1CCC1)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001421959142 1000680251 /nfs/dbraw/zinc/68/02/51/1000680251.db2.gz JDOPCKYXJOVORE-AWEZNQCLSA-N -1 0 309.370 -0.247 20 0 DBADRM CC(C)C[C@@H]1C(=O)NCCN1Cn1nc(C(=O)[O-])ccc1=O ZINC001591205444 1016427368 /nfs/dbraw/zinc/42/73/68/1016427368.db2.gz HOKOOVWTVKFPDD-LLVKDONJSA-N -1 0 308.338 -0.255 20 0 DBADRM O=C(C1CCC1)N1CCC[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001421959150 1000680982 /nfs/dbraw/zinc/68/09/82/1000680982.db2.gz JDOPCKYXJOVORE-CQSZACIVSA-N -1 0 309.370 -0.247 20 0 DBADRM C[C@@H](CNCc1ncccn1)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001421978546 1000688121 /nfs/dbraw/zinc/68/81/21/1000688121.db2.gz FHDXBUFKWLQWAN-VIFPVBQESA-N -1 0 321.341 -0.884 20 0 DBADRM CS[C@H](C)C(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001410266458 1000701942 /nfs/dbraw/zinc/70/19/42/1000701942.db2.gz QNFODAIDDXUIKN-RNFRBKRXSA-N -1 0 317.371 -0.938 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001410308139 1000716244 /nfs/dbraw/zinc/71/62/44/1000716244.db2.gz WOLWVXKKZKVBLD-BWZBUEFSSA-N -1 0 309.326 -0.437 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CCC1CC1 ZINC001410346509 1000730866 /nfs/dbraw/zinc/73/08/66/1000730866.db2.gz JQWZVCDQLVPFID-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2csnn2)c1[O-] ZINC001410346950 1000731303 /nfs/dbraw/zinc/73/13/03/1000731303.db2.gz PLNMEYGBMWAXIO-YFKPBYRVSA-N -1 0 310.339 -0.176 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001422230437 1000773207 /nfs/dbraw/zinc/77/32/07/1000773207.db2.gz NRMBOQWHCIXEQI-UWVGGRQHSA-N -1 0 324.385 -0.555 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NC[C@H](C)NC(=O)Cn1cncn1 ZINC001410477844 1000782315 /nfs/dbraw/zinc/78/23/15/1000782315.db2.gz GDPHYNXOTVCBFP-QMMMGPOBSA-N -1 0 319.325 -0.983 20 0 DBADRM COC(=O)/C(C)=C\Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C)c1=O ZINC001591228513 1016441878 /nfs/dbraw/zinc/44/18/78/1016441878.db2.gz LWIMBVUHBMIFLU-ALCCZGGFSA-N -1 0 320.309 -0.845 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2cnsn2)c1[O-] ZINC001410590875 1000822705 /nfs/dbraw/zinc/82/27/05/1000822705.db2.gz KEMUHHRKQGIKLB-QMMMGPOBSA-N -1 0 312.355 -0.844 20 0 DBADRM COC(=O)/C(C)=C\COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591230046 1016442521 /nfs/dbraw/zinc/44/25/21/1016442521.db2.gz YINAZIGARVSDQS-RBMBQVQZSA-N -1 0 321.297 -0.318 20 0 DBADRM C[C@H](C(=O)N1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001410609474 1000829040 /nfs/dbraw/zinc/82/90/40/1000829040.db2.gz LHJIFUXZEJYWLK-WPRPVWTQSA-N -1 0 323.353 -0.548 20 0 DBADRM COC(=O)C1(C(=O)Cn2cccc(-c3nnn[n-]3)c2=O)CC1 ZINC001591241404 1016446264 /nfs/dbraw/zinc/44/62/64/1016446264.db2.gz BZHRBXYCHXOXNJ-UHFFFAOYSA-N -1 0 303.278 -0.449 20 0 DBADRM C[C@H](CNC(=O)c1cnn(C)c1N)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422492117 1000883466 /nfs/dbraw/zinc/88/34/66/1000883466.db2.gz JGNIIBFOFGPLGX-SSDOTTSWSA-N -1 0 308.346 -0.924 20 0 DBADRM CCn1ccnc1C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422502898 1000888618 /nfs/dbraw/zinc/88/86/18/1000888618.db2.gz PSOBTLHFOJMHNF-VIFPVBQESA-N -1 0 307.358 -0.023 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)Cc2cnnn2C)c1[O-] ZINC001422502738 1000888803 /nfs/dbraw/zinc/88/88/03/1000888803.db2.gz SHGLBFNOKKBFLT-QMMMGPOBSA-N -1 0 307.358 -0.197 20 0 DBADRM COC(=O)C1=C(C)O[C@@H](Cn2cnc(-c3nnn[n-]3)cc2=O)C1 ZINC001591247752 1016449525 /nfs/dbraw/zinc/44/95/25/1016449525.db2.gz VANOPZSEMHPGBV-MRVPVSSYSA-N -1 0 318.293 -0.341 20 0 DBADRM COc1ccc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001410773169 1000894970 /nfs/dbraw/zinc/89/49/70/1000894970.db2.gz BGOWPVTUGWSTDJ-JTQLQIEISA-N -1 0 321.337 -0.601 20 0 DBADRM Cc1ncoc1CN(C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001422531716 1000897440 /nfs/dbraw/zinc/89/74/40/1000897440.db2.gz UPTOTHSKMTVZLF-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CCNC(=O)CC1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001422535586 1000898671 /nfs/dbraw/zinc/89/86/71/1000898671.db2.gz GAOZAQRVHZAAMZ-NXEZZACHSA-N -1 0 324.385 -0.637 20 0 DBADRM CC(F)(F)C(C)(C)C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001410786348 1000905982 /nfs/dbraw/zinc/90/59/82/1000905982.db2.gz VTKWZGAPPGAMCX-SSDOTTSWSA-N -1 0 321.328 -0.242 20 0 DBADRM COc1ccccc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001410789944 1000908782 /nfs/dbraw/zinc/90/87/82/1000908782.db2.gz UTZPKKIVDGZTAM-SECBINFHSA-N -1 0 321.337 -0.601 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)Cc1ncccn1 ZINC001422591073 1000922458 /nfs/dbraw/zinc/92/24/58/1000922458.db2.gz NVYXMJWGZXGJTQ-SECBINFHSA-N -1 0 321.341 -0.884 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N(CC(=O)[O-])CC(=O)OC ZINC001597723632 1017205667 /nfs/dbraw/zinc/20/56/67/1017205667.db2.gz PNFGMOLVDCVPAU-UHFFFAOYSA-N -1 0 319.339 -0.769 20 0 DBADRM C[C@H]1[C@H](NC(=O)CCCC(N)=O)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001410926904 1000961943 /nfs/dbraw/zinc/96/19/43/1000961943.db2.gz NDABCHCSHWTUKJ-VHSXEESVSA-N -1 0 324.385 -0.365 20 0 DBADRM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001422661795 1000964325 /nfs/dbraw/zinc/96/43/25/1000964325.db2.gz YYWFRZAZDCZWPD-MNOVXSKESA-N -1 0 323.397 -0.145 20 0 DBADRM COC(=O)CC1(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001591260095 1016454688 /nfs/dbraw/zinc/45/46/88/1016454688.db2.gz UIYCZTCFFQIXSE-SSDOTTSWSA-N -1 0 320.313 -0.769 20 0 DBADRM COC(=O)[C@H]1CCN(Cn2cccc(-c3nnn[n-]3)c2=O)[C@H]1C ZINC001591252702 1016454968 /nfs/dbraw/zinc/45/49/68/1016454968.db2.gz MGILDWRYHMHCOL-UWVGGRQHSA-N -1 0 318.337 -0.131 20 0 DBADRM COC(=O)CN(C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001591266617 1016456384 /nfs/dbraw/zinc/45/63/84/1016456384.db2.gz POUUHVKSIZCJNS-ZETCQYMHSA-N -1 0 320.313 -0.817 20 0 DBADRM COC(=O)CCCCNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591262225 1016457410 /nfs/dbraw/zinc/45/74/10/1016457410.db2.gz MRKVCIPRQAHOFV-QMMMGPOBSA-N -1 0 322.329 -0.521 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001422827044 1001024769 /nfs/dbraw/zinc/02/47/69/1001024769.db2.gz QAUADFWOZVAMCW-IVZWLZJFSA-N -1 0 319.369 -0.026 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1ccnn1C ZINC001422832655 1001026964 /nfs/dbraw/zinc/02/69/64/1001026964.db2.gz SIFMSGJAVFOINP-SNVBAGLBSA-N -1 0 321.385 -0.187 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1ccnn1C ZINC001422832645 1001027142 /nfs/dbraw/zinc/02/71/42/1001027142.db2.gz SIFMSGJAVFOINP-JTQLQIEISA-N -1 0 321.385 -0.187 20 0 DBADRM CN(C(=O)CCc1cn[nH]c1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001494852541 1016459962 /nfs/dbraw/zinc/45/99/62/1016459962.db2.gz NARZHJDVZIDPSM-LLVKDONJSA-N -1 0 319.369 -0.101 20 0 DBADRM COC(=O)C[C@@H](C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591268606 1016462565 /nfs/dbraw/zinc/46/25/65/1016462565.db2.gz RABDQAZCXSAFMF-RQJHMYQMSA-N -1 0 308.302 -0.913 20 0 DBADRM COC(=O)C[C@@H](C)NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591268605 1016464236 /nfs/dbraw/zinc/46/42/36/1016464236.db2.gz RABDQAZCXSAFMF-RNFRBKRXSA-N -1 0 308.302 -0.913 20 0 DBADRM CCc1nncn1CCNC(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001597736379 1017206553 /nfs/dbraw/zinc/20/65/53/1017206553.db2.gz UIMNRMNQFBEAGH-CYBMUJFWSA-N -1 0 311.342 -0.274 20 0 DBADRM O=C(CCc1c[nH]cn1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001423088645 1001113364 /nfs/dbraw/zinc/11/33/64/1001113364.db2.gz GWDXTLYOQYHIBB-JTQLQIEISA-N -1 0 305.342 -0.443 20 0 DBADRM COC(=O)c1cc(Cn2cc(-c3nnn[n-]3)ccc2=O)on1 ZINC001591288535 1016471902 /nfs/dbraw/zinc/47/19/02/1016471902.db2.gz ADZJTJOXYPQJTB-UHFFFAOYSA-N -1 0 302.250 -0.149 20 0 DBADRM CCCNC(=O)CCC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001423158697 1001138927 /nfs/dbraw/zinc/13/89/27/1001138927.db2.gz NWAHNYOUVFCPRJ-SNVBAGLBSA-N -1 0 324.385 -0.493 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCc1ccns1 ZINC001411520179 1001147974 /nfs/dbraw/zinc/14/79/74/1001147974.db2.gz LVUSPLGZEXFMOO-UHFFFAOYSA-N -1 0 304.335 -0.113 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CC(=O)N2CCC2)c1 ZINC001591286390 1016472780 /nfs/dbraw/zinc/47/27/80/1016472780.db2.gz FMARMOHOBXXMAC-UHFFFAOYSA-N -1 0 318.293 -0.953 20 0 DBADRM CCc1cc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)[nH]n1 ZINC001423187387 1001151898 /nfs/dbraw/zinc/15/18/98/1001151898.db2.gz AMMABRXJAGSODA-UHFFFAOYSA-N -1 0 305.342 -0.152 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001423191046 1001155054 /nfs/dbraw/zinc/15/50/54/1001155054.db2.gz CWYKWAYGPKLCIN-SVDPJWKOSA-N -1 0 309.370 -0.487 20 0 DBADRM COC(=O)c1occc1CNCCn1cnc(-c2nnn[n-]2)n1 ZINC001591308537 1016473480 /nfs/dbraw/zinc/47/34/80/1016473480.db2.gz JGWVLWVRHSQJBD-UHFFFAOYSA-N -1 0 318.297 -0.372 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1cnn(CCF)c1 ZINC001411561712 1001162277 /nfs/dbraw/zinc/16/22/77/1001162277.db2.gz JWQVVDAXZYAXMM-UHFFFAOYSA-N -1 0 319.300 -0.446 20 0 DBADRM NS(=O)(=O)c1ccc(CCNC(=O)c2c[n-]ncc2=O)cc1 ZINC001411601107 1001172798 /nfs/dbraw/zinc/17/27/98/1001172798.db2.gz KOJJQPXMSRJJDV-UHFFFAOYSA-N -1 0 322.346 -0.198 20 0 DBADRM COC1(CC(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)CCC1 ZINC001423215045 1001177884 /nfs/dbraw/zinc/17/78/84/1001177884.db2.gz SVVRCYVVFJLAQH-VIFPVBQESA-N -1 0 313.358 -0.964 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CCCNC(C)=O)c1 ZINC001591285066 1016470802 /nfs/dbraw/zinc/47/08/02/1016470802.db2.gz BNVSZHDKKRZECI-UHFFFAOYSA-N -1 0 320.309 -0.659 20 0 DBADRM COc1ccnc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)c1 ZINC001423246054 1001202510 /nfs/dbraw/zinc/20/25/10/1001202510.db2.gz ODCYVZPPQBEWTF-UHFFFAOYSA-N -1 0 318.337 -0.034 20 0 DBADRM Cc1ccc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)cc1F ZINC001423248622 1001203319 /nfs/dbraw/zinc/20/33/19/1001203319.db2.gz UATPBPWOFFHPKL-SNVBAGLBSA-N -1 0 323.328 -0.162 20 0 DBADRM O=C(NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)[C@@H]1Cc2ccccc21 ZINC001423260099 1001212895 /nfs/dbraw/zinc/21/28/95/1001212895.db2.gz UATDQVGAZFXGDM-ZYHUDNBSSA-N -1 0 317.349 -0.583 20 0 DBADRM CC1(C)CCC[C@@H]1C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001423264096 1001216047 /nfs/dbraw/zinc/21/60/47/1001216047.db2.gz SKJQNSLMAWSZTC-VHSXEESVSA-N -1 0 311.386 -0.097 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001591314465 1016474969 /nfs/dbraw/zinc/47/49/69/1016474969.db2.gz BIBDKTQXJBOCEP-JTQLQIEISA-N -1 0 303.278 -0.192 20 0 DBADRM CSc1nccnc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001411769476 1001219736 /nfs/dbraw/zinc/21/97/36/1001219736.db2.gz CZOXNLJITUTBTH-SSDOTTSWSA-N -1 0 307.339 -0.075 20 0 DBADRM CSc1nccnc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001411769481 1001219869 /nfs/dbraw/zinc/21/98/69/1001219869.db2.gz CZOXNLJITUTBTH-ZETCQYMHSA-N -1 0 307.339 -0.075 20 0 DBADRM Cn1nc2c(c1C(=O)N1CCO[C@H](c3nnn[n-]3)C1)CCC2 ZINC001411784346 1001225107 /nfs/dbraw/zinc/22/51/07/1001225107.db2.gz XIYVQQNVHWKWOX-JTQLQIEISA-N -1 0 303.326 -0.364 20 0 DBADRM CSC[C@](C)(O)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001411820579 1001233089 /nfs/dbraw/zinc/23/30/89/1001233089.db2.gz CULJUDWQRDJOCM-CYBMUJFWSA-N -1 0 322.394 -0.081 20 0 DBADRM Cn1cc(N2CCN(C(=O)CSc3n[nH]c(=O)[n-]3)CC2)cn1 ZINC001411851368 1001238480 /nfs/dbraw/zinc/23/84/80/1001238480.db2.gz QFERVULOYZRJPG-UHFFFAOYSA-N -1 0 323.382 -0.315 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCCS(=O)(=O)CC1CC1 ZINC001411891039 1001241709 /nfs/dbraw/zinc/24/17/09/1001241709.db2.gz VNDPZDXIDYSQCF-UHFFFAOYSA-N -1 0 301.372 -0.537 20 0 DBADRM CS[C@H](CO)[C@@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001411907410 1001247091 /nfs/dbraw/zinc/24/70/91/1001247091.db2.gz KEVGIHNZIBWANS-LDYMZIIASA-N -1 0 322.394 -0.083 20 0 DBADRM CC(C)(C)CNC(=O)C(C)(C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001411932396 1001254958 /nfs/dbraw/zinc/25/49/58/1001254958.db2.gz ZOVXDWZISYLUFG-UHFFFAOYSA-N -1 0 313.358 -0.254 20 0 DBADRM O=C(NC[C@]1(O)CCOC1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001411934717 1001255035 /nfs/dbraw/zinc/25/50/35/1001255035.db2.gz FSNVORQTBDEIOX-CQSZACIVSA-N -1 0 320.305 -0.853 20 0 DBADRM C[C@@H](CNC(=O)c1cccc(-n2[n-]nnc2=N)c1)S(C)(=O)=O ZINC001411938068 1001256420 /nfs/dbraw/zinc/25/64/20/1001256420.db2.gz BYYIZJMOWNJCFF-QMMMGPOBSA-N -1 0 324.366 -0.762 20 0 DBADRM O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001411938738 1001257241 /nfs/dbraw/zinc/25/72/41/1001257241.db2.gz OQVZAEKJEBMKOC-ZJUUUORDSA-N -1 0 311.367 -0.146 20 0 DBADRM CO[C@@]1(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)CCOC1 ZINC001412007412 1001275558 /nfs/dbraw/zinc/27/55/58/1001275558.db2.gz RTHNYEULNXKTBZ-CQSZACIVSA-N -1 0 318.337 -0.390 20 0 DBADRM COC(=O)C[C@]1(NC(=O)c2c[n-]n3c2nccc3=O)CCOC1 ZINC001412014336 1001278029 /nfs/dbraw/zinc/27/80/29/1001278029.db2.gz ZXILFTNVUQUHPM-CQSZACIVSA-N -1 0 320.305 -0.525 20 0 DBADRM CCCn1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(C)n1 ZINC001412027434 1001281917 /nfs/dbraw/zinc/28/19/17/1001281917.db2.gz MGXYQYJYPKZDCF-UHFFFAOYSA-N -1 0 316.383 -0.203 20 0 DBADRM CCNc1cccnc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001412030311 1001283978 /nfs/dbraw/zinc/28/39/78/1001283978.db2.gz PVEFVWPSLHWYNJ-UHFFFAOYSA-N -1 0 314.367 -0.291 20 0 DBADRM Cn1ncc(CCC(=O)N2CCSC[C@@H]2c2nnn[n-]2)n1 ZINC001412050572 1001288700 /nfs/dbraw/zinc/28/87/00/1001288700.db2.gz YQBUYWYIPULAQW-SECBINFHSA-N -1 0 308.371 -0.423 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001412074595 1001295137 /nfs/dbraw/zinc/29/51/37/1001295137.db2.gz NIOCFRASQGSZET-SSDOTTSWSA-N -1 0 316.339 -0.678 20 0 DBADRM CN1C(=O)CCc2cc(C(=O)Nn3c(=O)[n-][nH]c3=O)ccc21 ZINC001412178720 1001324501 /nfs/dbraw/zinc/32/45/01/1001324501.db2.gz GFBOADPPYMGKBE-UHFFFAOYSA-N -1 0 303.278 -0.018 20 0 DBADRM CO[C@H](CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(C)C ZINC001591330533 1016481399 /nfs/dbraw/zinc/48/13/99/1016481399.db2.gz ITIFKCSXTXFCJH-DTWKUNHWSA-N -1 0 308.346 -0.194 20 0 DBADRM CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)[C@@H]1CCC(=O)N(C)C1 ZINC001412189465 1001327287 /nfs/dbraw/zinc/32/72/87/1001327287.db2.gz VSWRBBZKQYOKBW-SECBINFHSA-N -1 0 311.342 -0.451 20 0 DBADRM CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)[C@H]1CCC(=O)N(C)C1 ZINC001412189469 1001327921 /nfs/dbraw/zinc/32/79/21/1001327921.db2.gz VSWRBBZKQYOKBW-VIFPVBQESA-N -1 0 311.342 -0.451 20 0 DBADRM COCC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCOCC1 ZINC001412206622 1001332310 /nfs/dbraw/zinc/33/23/10/1001332310.db2.gz YFWOCSSHBRQNOQ-UHFFFAOYSA-N -1 0 300.315 -0.751 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)c1ccncc1 ZINC001423495260 1001343143 /nfs/dbraw/zinc/34/31/43/1001343143.db2.gz HKAAVSFFIKBWQD-LLVKDONJSA-N -1 0 320.353 -0.530 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)c1ccco1 ZINC001423503446 1001348334 /nfs/dbraw/zinc/34/83/34/1001348334.db2.gz IALFEHZVECJIFC-SECBINFHSA-N -1 0 309.326 -0.332 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)CN(C)C(=O)c1cocn1 ZINC001423504674 1001351833 /nfs/dbraw/zinc/35/18/33/1001351833.db2.gz PIMKCQJAGRTUHN-QMMMGPOBSA-N -1 0 310.314 -0.937 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCc2ncncc2C1 ZINC001412272428 1001355610 /nfs/dbraw/zinc/35/56/10/1001355610.db2.gz KKKVTOJSMAOZGG-UHFFFAOYSA-N -1 0 311.305 -0.554 20 0 DBADRM CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001412297897 1001360463 /nfs/dbraw/zinc/36/04/63/1001360463.db2.gz OBFZLSMQMYSTDL-APPZFPTMSA-N -1 0 316.289 -0.561 20 0 DBADRM CC1(NC(=O)Cc2nc[nH]n2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001423524541 1001361284 /nfs/dbraw/zinc/36/12/84/1001361284.db2.gz NGHPQGROMVFEDP-UHFFFAOYSA-N -1 0 320.357 -0.658 20 0 DBADRM COCC(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001591366833 1016489125 /nfs/dbraw/zinc/48/91/25/1016489125.db2.gz RZEGEWWGWXWLHV-YUMQZZPRSA-N -1 0 306.330 -0.970 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC001412348648 1001373120 /nfs/dbraw/zinc/37/31/20/1001373120.db2.gz IOZIWZFVJGZPAR-LDWIPMOCSA-N -1 0 304.253 -0.380 20 0 DBADRM CC(C)CN1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1=O ZINC001591364866 1016490162 /nfs/dbraw/zinc/49/01/62/1016490162.db2.gz SEIVGLSFZDIXOT-UHFFFAOYSA-N -1 0 309.326 -0.697 20 0 DBADRM CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1c[n-]ncc1=O ZINC001412356002 1001375196 /nfs/dbraw/zinc/37/51/96/1001375196.db2.gz UPNJVGFDAOMWEO-OAHLLOKOSA-N -1 0 322.365 -0.472 20 0 DBADRM COCC(=O)Nc1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001412373170 1001379068 /nfs/dbraw/zinc/37/90/68/1001379068.db2.gz KOCFQJCEPALXBT-UHFFFAOYSA-N -1 0 321.293 -0.087 20 0 DBADRM CN(C(=O)c1cc(S(C)(=O)=O)ncc1Cl)c1nnn[n-]1 ZINC001412377991 1001380362 /nfs/dbraw/zinc/38/03/62/1001380362.db2.gz UKHCWSLVAVZFHL-UHFFFAOYSA-N -1 0 316.730 -0.072 20 0 DBADRM O=C(Nn1ccc(=O)[nH]c1=O)c1cncc(N2CCCC2=O)c1 ZINC001412407858 1001389311 /nfs/dbraw/zinc/38/93/11/1001389311.db2.gz GFKVDYXYLCABSJ-UHFFFAOYSA-N -1 0 315.289 -0.145 20 0 DBADRM CNC(=O)C[N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC001423604910 1001390116 /nfs/dbraw/zinc/39/01/16/1001390116.db2.gz PYXPGZHJJGOSLN-SFHVURJKSA-N -1 0 311.429 -0.003 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1cnc(OCC2CC2)cn1 ZINC001412411352 1001391703 /nfs/dbraw/zinc/39/17/03/1001391703.db2.gz NOKHUUXKZWKKGL-UHFFFAOYSA-N -1 0 303.278 -0.088 20 0 DBADRM O=C(CCCc1nnn[n-]1)NCC(=O)NCCc1ccccc1 ZINC001412425453 1001398381 /nfs/dbraw/zinc/39/83/81/1001398381.db2.gz CCIUDIBZJTYVRW-UHFFFAOYSA-N -1 0 316.365 -0.003 20 0 DBADRM CS(=O)(=O)Cc1ccc(CNC(=O)CCc2nnn[n-]2)cc1 ZINC001412432065 1001399235 /nfs/dbraw/zinc/39/92/35/1001399235.db2.gz FBOLQPLRAJHGCL-UHFFFAOYSA-N -1 0 323.378 -0.007 20 0 DBADRM C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001412428878 1001399816 /nfs/dbraw/zinc/39/98/16/1001399816.db2.gz AODDTQXNDOEHGX-KOLCDFICSA-N -1 0 322.369 -0.206 20 0 DBADRM C[C@@H](CN(C)C(=O)c1ccc[nH]1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412433034 1001401554 /nfs/dbraw/zinc/40/15/54/1001401554.db2.gz KACLDHDRLRHMES-QMMMGPOBSA-N -1 0 322.325 -0.706 20 0 DBADRM CC(C)CNC(=O)CN1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001591369103 1016492930 /nfs/dbraw/zinc/49/29/30/1016492930.db2.gz IUFSJHWIMWGMNG-RYUDHWBXSA-N -1 0 311.382 -0.378 20 0 DBADRM CS(=O)(=O)c1ccc(CNC(=O)CCc2nnn[n-]2)cc1 ZINC001412454499 1001409620 /nfs/dbraw/zinc/40/96/20/1001409620.db2.gz ISVXULMVUIZQAI-UHFFFAOYSA-N -1 0 309.351 -0.148 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccn1 ZINC001423742380 1001414081 /nfs/dbraw/zinc/41/40/81/1001414081.db2.gz OKPCIIPFQYYINN-AWEZNQCLSA-N -1 0 318.337 -0.728 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CC2(CO1)CCOCC2 ZINC001412467791 1001415108 /nfs/dbraw/zinc/41/51/08/1001415108.db2.gz INBFERKNTSOQCN-SECBINFHSA-N -1 0 312.326 -0.609 20 0 DBADRM O=C(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ccccc1 ZINC001412473006 1001419226 /nfs/dbraw/zinc/41/92/26/1001419226.db2.gz TYVKVXFUAATQDC-UHFFFAOYSA-N -1 0 319.321 -0.488 20 0 DBADRM O=C(CNC(=O)OCC(F)(F)F)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001412487802 1001422787 /nfs/dbraw/zinc/42/27/87/1001422787.db2.gz IWTGMUKCOOUBLC-ZCFIWIBFSA-N -1 0 322.247 -0.196 20 0 DBADRM C[C@H](C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC001423766342 1001427356 /nfs/dbraw/zinc/42/73/56/1001427356.db2.gz WITZILJNUAFZMH-BONVTDFDSA-N -1 0 323.397 -0.001 20 0 DBADRM O=C(NCc1nnc2n1CCNC2=O)c1cc(F)cc(F)c1[O-] ZINC001412512937 1001433666 /nfs/dbraw/zinc/43/36/66/1001433666.db2.gz HUMICMTVRVSTTD-UHFFFAOYSA-N -1 0 323.259 -0.065 20 0 DBADRM CC(C)CNC(=O)CN1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001591369102 1016493824 /nfs/dbraw/zinc/49/38/24/1016493824.db2.gz IUFSJHWIMWGMNG-NWDGAFQWSA-N -1 0 311.382 -0.378 20 0 DBADRM CC(=O)Nc1cccnc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001412528138 1001438774 /nfs/dbraw/zinc/43/87/74/1001438774.db2.gz FNDNAQOCPRCIKO-SNVBAGLBSA-N -1 0 317.309 -0.233 20 0 DBADRM CC(=O)N[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)C(C)(C)C ZINC001412527065 1001438824 /nfs/dbraw/zinc/43/88/24/1001438824.db2.gz NIMXYVLCFAHBHR-VHSXEESVSA-N -1 0 310.358 -0.350 20 0 DBADRM O=C(NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccsc1 ZINC001423804024 1001442001 /nfs/dbraw/zinc/44/20/01/1001442001.db2.gz QTROYTOWSFMPLW-UHFFFAOYSA-N -1 0 309.351 -0.452 20 0 DBADRM COC(=O)c1ccn(CC(=O)N(Cc2nnn[n-]2)CC(C)C)n1 ZINC001412547016 1001445736 /nfs/dbraw/zinc/44/57/36/1001445736.db2.gz RQPJNKBYRLNSJC-UHFFFAOYSA-N -1 0 321.341 -0.132 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC001412553205 1001448476 /nfs/dbraw/zinc/44/84/76/1001448476.db2.gz UGBLLBAIBNJARJ-VIFPVBQESA-N -1 0 321.341 -0.006 20 0 DBADRM Cn1[n-]c(C(=O)N2CC[C@H](CNS(C)(=O)=O)C2)cc1=O ZINC001412555734 1001449434 /nfs/dbraw/zinc/44/94/34/1001449434.db2.gz QNNQUPRQPDDTDV-MRVPVSSYSA-N -1 0 302.356 -0.863 20 0 DBADRM COC(=O)C[C@H]1CSCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001412578691 1001455929 /nfs/dbraw/zinc/45/59/29/1001455929.db2.gz NPSGZOMGIVGCQS-ZETCQYMHSA-N -1 0 316.339 -0.804 20 0 DBADRM O=C(c1c[n-]ncc1=O)N1CCN(CCn2cncn2)CC1 ZINC001412578834 1001456253 /nfs/dbraw/zinc/45/62/53/1001456253.db2.gz OPUCLHGTZKNHIG-UHFFFAOYSA-N -1 0 303.326 -0.768 20 0 DBADRM COC[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C(C)C ZINC001591377061 1016496613 /nfs/dbraw/zinc/49/66/13/1016496613.db2.gz BYAWEBGKOSBJSU-MRVPVSSYSA-N -1 0 323.357 -0.004 20 0 DBADRM COC[C@H]([N-]S(=O)(=O)C[C@@H]1CCO[C@@H](C)C1)C(=O)OC ZINC001423843978 1001471976 /nfs/dbraw/zinc/47/19/76/1001471976.db2.gz KOMRZHYYOLBJID-AXFHLTTASA-N -1 0 309.384 -0.091 20 0 DBADRM COC[C@@H](NC(=O)CNC(=O)Cc1ccccc1)c1nnn[n-]1 ZINC001412590961 1001476199 /nfs/dbraw/zinc/47/61/99/1001476199.db2.gz IQTXSCKVDLZPLU-LLVKDONJSA-N -1 0 318.337 -0.638 20 0 DBADRM COC[C@H](NC(=O)[C@@H](C)NC(=O)c1cccs1)c1nnn[n-]1 ZINC001412597496 1001478182 /nfs/dbraw/zinc/47/81/82/1001478182.db2.gz RTEFLHSCFWAQQN-SFYZADRCSA-N -1 0 324.366 -0.117 20 0 DBADRM COC[C@H](Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C)c1=O)C(C)C ZINC001591379414 1016497593 /nfs/dbraw/zinc/49/75/93/1016497593.db2.gz QNNADXWAZXRJAF-JTQLQIEISA-N -1 0 322.369 -0.046 20 0 DBADRM COC[C@@H](C)CNS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001591373786 1016497922 /nfs/dbraw/zinc/49/79/22/1016497922.db2.gz ONSXWAOLFOJOGH-QMMMGPOBSA-N -1 0 312.355 -0.178 20 0 DBADRM COC[C@H](NC(=O)C1CCC(C(=O)N(C)C)CC1)c1nnn[n-]1 ZINC001412613803 1001493464 /nfs/dbraw/zinc/49/34/64/1001493464.db2.gz VFFLLCWFQZZJGY-ILDUYXDCSA-N -1 0 324.385 -0.102 20 0 DBADRM COC[C@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@@H]1CCCOC1 ZINC001591383175 1016499547 /nfs/dbraw/zinc/49/95/47/1016499547.db2.gz XOGPHKOGWXZHNR-ZJUUUORDSA-N -1 0 305.342 -0.068 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1(C(=O)NCC2CC2)CCCC1 ZINC001412622165 1001505920 /nfs/dbraw/zinc/50/59/20/1001505920.db2.gz QWZSBFOQRWWQKZ-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM COCC1(CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001591388184 1016500193 /nfs/dbraw/zinc/50/01/93/1016500193.db2.gz WSWPVAFSWKONFK-UHFFFAOYSA-N -1 0 321.345 -0.816 20 0 DBADRM COC(=O)[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(C)C ZINC001412656508 1001522197 /nfs/dbraw/zinc/52/21/97/1001522197.db2.gz GBPVCRWLIGCHOQ-SECBINFHSA-N -1 0 300.315 -0.217 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC001423913344 1001524529 /nfs/dbraw/zinc/52/45/29/1001524529.db2.gz USGOYFOXRGRERZ-DLGSQSEFSA-N -1 0 322.365 -0.061 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2cnn(C)n2)c1[O-] ZINC001423912262 1001524554 /nfs/dbraw/zinc/52/45/54/1001524554.db2.gz SYONXRNEWPSWFC-RNFRBKRXSA-N -1 0 321.341 -0.511 20 0 DBADRM COCC1(Cn2cnc3ncc(-c4nnn[n-]4)c(=O)n32)CCC1 ZINC001591388876 1016502762 /nfs/dbraw/zinc/50/27/62/1016502762.db2.gz LOBNNUMKMGUMKJ-UHFFFAOYSA-N -1 0 316.325 -0.112 20 0 DBADRM COC(=O)[C@@H](CC(F)F)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001412693758 1001533509 /nfs/dbraw/zinc/53/35/09/1001533509.db2.gz RALBNHXQUXLZSX-SCSAIBSYSA-N -1 0 310.282 -0.085 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CC([NH2+][C@H]3CCOC3)C2)cc1=O ZINC001412701945 1001534832 /nfs/dbraw/zinc/53/48/32/1001534832.db2.gz UHFRGGWRNOHIMD-LBPRGKRZSA-N -1 0 322.409 -0.036 20 0 DBADRM Cc1nnc(C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)s1 ZINC001423967268 1001535795 /nfs/dbraw/zinc/53/57/95/1001535795.db2.gz XHLBJTNUQIDPLE-QGZVFWFLSA-N -1 0 313.430 -0.245 20 0 DBADRM O=c1nc(CCNS(=O)(=O)N=S2(=O)CCCC2)[n-]o1 ZINC001423998729 1001541017 /nfs/dbraw/zinc/54/10/17/1001541017.db2.gz GMVOUOLMIWXBNG-UHFFFAOYSA-N -1 0 310.357 -0.998 20 0 DBADRM C[C@@H](NS(=O)(=O)c1nncn1C)C1(S(C)(=O)=O)CC1 ZINC001424031679 1001550952 /nfs/dbraw/zinc/55/09/52/1001550952.db2.gz IRHOQRDKKAPEPE-SSDOTTSWSA-N -1 0 308.385 -0.941 20 0 DBADRM O=C(CCCc1nnn[n-]1)NC1(c2ncon2)CCOCC1 ZINC001412744682 1001552891 /nfs/dbraw/zinc/55/28/91/1001552891.db2.gz CGIBHSYAOZAVFN-UHFFFAOYSA-N -1 0 307.314 -0.273 20 0 DBADRM COCC1CN(C(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)C1 ZINC001591395884 1016505206 /nfs/dbraw/zinc/50/52/06/1016505206.db2.gz MBPVAKSRBKVQOG-UHFFFAOYSA-N -1 0 304.310 -0.006 20 0 DBADRM COC[C@@H]1CCN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)C1 ZINC001591394686 1016505242 /nfs/dbraw/zinc/50/52/42/1016505242.db2.gz XCYRKXUIOARBKO-SECBINFHSA-N -1 0 321.345 -0.864 20 0 DBADRM Cn1cc([C@@]2(CNC(=O)c3n[nH]c(=O)[n-]c3=O)CCCO2)cn1 ZINC001412763538 1001565474 /nfs/dbraw/zinc/56/54/74/1001565474.db2.gz YGFCNDLCNQIAIX-ZDUSSCGKSA-N -1 0 320.309 -0.548 20 0 DBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H](CO)[C@@H]1CCOC1 ZINC001412775436 1001571959 /nfs/dbraw/zinc/57/19/59/1001571959.db2.gz FMNSNRMXVXVHFB-SFYZADRCSA-N -1 0 312.288 -0.043 20 0 DBADRM COC(=O)C1(NC(=O)CSc2n[nH]c(=O)[n-]2)CC(CO)C1 ZINC001412792052 1001585719 /nfs/dbraw/zinc/58/57/19/1001585719.db2.gz WAPWXXHKCCJXFW-UHFFFAOYSA-N -1 0 316.339 -0.967 20 0 DBADRM COC[C@H]1CN(Cn2cccc(-c3nnn[n-]3)c2=O)CCO1 ZINC001591395392 1016508200 /nfs/dbraw/zinc/50/82/00/1016508200.db2.gz BYORSZKTQIADNX-SNVBAGLBSA-N -1 0 306.326 -0.667 20 0 DBADRM COC(=O)[C@H](CNC(=O)CCCc1nnn[n-]1)[C@@H]1CCOC1 ZINC001412801304 1001590894 /nfs/dbraw/zinc/59/08/94/1001590894.db2.gz AZKKHGXBWYFZRP-NXEZZACHSA-N -1 0 311.342 -0.536 20 0 DBADRM COC(=O)[C@](C)(CO)NS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001424199731 1001594407 /nfs/dbraw/zinc/59/44/07/1001594407.db2.gz VETVRAHXOMXNGJ-NSHDSACASA-N -1 0 307.299 -0.266 20 0 DBADRM COCC1CCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001591394334 1016508743 /nfs/dbraw/zinc/50/87/43/1016508743.db2.gz QUVAKXBFKXPAPN-SECBINFHSA-N -1 0 320.357 -0.096 20 0 DBADRM COCC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)C(N)=O ZINC001591399921 1016510558 /nfs/dbraw/zinc/51/05/58/1016510558.db2.gz HQAKEZBMVQLEAB-SECBINFHSA-N -1 0 320.309 -0.808 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1CCC(=O)N1C)Cc1n[nH]c(=O)[n-]1 ZINC001424305150 1001619542 /nfs/dbraw/zinc/61/95/42/1001619542.db2.gz FAFSRCPRVWVHIW-JTQLQIEISA-N -1 0 324.385 -0.589 20 0 DBADRM COc1cnc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)nc1 ZINC001412860954 1001624285 /nfs/dbraw/zinc/62/42/85/1001624285.db2.gz XKRQXOBLKBVTNE-MRVPVSSYSA-N -1 0 307.339 -0.071 20 0 DBADRM CN(CCCN(C)C(=O)C[C@H]1CCC(=O)N1)Cc1n[nH]c(=O)[n-]1 ZINC001424329938 1001624909 /nfs/dbraw/zinc/62/49/09/1001624909.db2.gz SXPDATCXOBFRAG-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM COCCC1(C)CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001591400839 1016511335 /nfs/dbraw/zinc/51/13/35/1016511335.db2.gz YTFQBUVUBXOUSP-UHFFFAOYSA-N -1 0 306.330 -0.657 20 0 DBADRM O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001412888384 1001636141 /nfs/dbraw/zinc/63/61/41/1001636141.db2.gz VQGMSQKJYBIPSO-DTWKUNHWSA-N -1 0 314.367 -0.349 20 0 DBADRM CCC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)OCC ZINC001412898299 1001639343 /nfs/dbraw/zinc/63/93/43/1001639343.db2.gz UGXDJTAIKKUVBI-MRVPVSSYSA-N -1 0 300.315 -0.215 20 0 DBADRM CC1CC(C(=O)N2CCC[C@@](CO)(NCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001424416314 1001640616 /nfs/dbraw/zinc/64/06/16/1001640616.db2.gz YKITZHKSNGXSPO-QKFMDRJYSA-N -1 0 323.397 -0.001 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001412901883 1001641717 /nfs/dbraw/zinc/64/17/17/1001641717.db2.gz PODJOZUEJJKYJT-ZETCQYMHSA-N -1 0 316.339 -0.678 20 0 DBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1COCC[C@H]1O ZINC001424545807 1001659302 /nfs/dbraw/zinc/65/93/02/1001659302.db2.gz HMHDBDPZNYFALN-OOSSNNJISA-N -1 0 314.429 -0.133 20 0 DBADRM Nc1nc2nc(CN3CCN4C(=O)OCC[C@@H]4C3)cc(=O)n2[n-]1 ZINC001412963443 1001668041 /nfs/dbraw/zinc/66/80/41/1001668041.db2.gz RXZFGXTWZUQVFV-SECBINFHSA-N -1 0 319.325 -0.974 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCN(c2cc(F)ncn2)CC1 ZINC001412991506 1001676841 /nfs/dbraw/zinc/67/68/41/1001676841.db2.gz YKUFTNDUAMAWEU-UHFFFAOYSA-N -1 0 320.332 -0.200 20 0 DBADRM CN(C(=O)c1c[n-]ncc1=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001413002613 1001680976 /nfs/dbraw/zinc/68/09/76/1001680976.db2.gz NLRITAZESFLYPD-MRVPVSSYSA-N -1 0 300.340 -0.712 20 0 DBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc2c(c1)C(=O)NCCO2 ZINC001413030813 1001687921 /nfs/dbraw/zinc/68/79/21/1001687921.db2.gz NRTBPAMPTBGSCX-UHFFFAOYSA-N -1 0 305.250 -0.805 20 0 DBADRM C[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@@H](C)S1(=O)=O ZINC001413045760 1001690477 /nfs/dbraw/zinc/69/04/77/1001690477.db2.gz COJLWWXWXBUHRT-RKDXNWHRSA-N -1 0 324.362 -0.330 20 0 DBADRM O=C(c1c[n-]ncc1=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC001413069682 1001695309 /nfs/dbraw/zinc/69/53/09/1001695309.db2.gz FSYOYSGEPVRKIU-KOLCDFICSA-N -1 0 313.335 -0.790 20 0 DBADRM O=C(NC[C@@H]1CNC(=O)C1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001413111023 1001700881 /nfs/dbraw/zinc/70/08/81/1001700881.db2.gz BIDHGISDTRYBHG-LURJTMIESA-N -1 0 303.278 -0.698 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)CCc2nnn[n-]2)CCC1 ZINC001413118353 1001701462 /nfs/dbraw/zinc/70/14/62/1001701462.db2.gz NRWBIOPBEPFYMW-UHFFFAOYSA-N -1 0 301.372 -0.537 20 0 DBADRM C[C@H]1C[C@H](CO)CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001413155192 1001705014 /nfs/dbraw/zinc/70/50/14/1001705014.db2.gz QYTTWLVRLAHLOD-UWVGGRQHSA-N -1 0 305.338 -0.452 20 0 DBADRM COCC(=O)N[C@H](C(=O)N(C)Cc1nc(=O)o[n-]1)C(C)C ZINC001413179662 1001707542 /nfs/dbraw/zinc/70/75/42/1001707542.db2.gz HTZCXWMORGBERP-JTQLQIEISA-N -1 0 300.315 -0.892 20 0 DBADRM C[C@H](C(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C)S(C)(=O)=O ZINC001413189396 1001710979 /nfs/dbraw/zinc/71/09/79/1001710979.db2.gz MOQFHUAJVFLPEA-RNFRBKRXSA-N -1 0 305.356 -0.001 20 0 DBADRM COCCOC(=O)N(C)COc1cnc(-c2nnn[n-]2)nc1 ZINC001591431398 1016521542 /nfs/dbraw/zinc/52/15/42/1016521542.db2.gz MDOKRYZMBLFNFB-UHFFFAOYSA-N -1 0 309.286 -0.292 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001591417954 1016518603 /nfs/dbraw/zinc/51/86/03/1016518603.db2.gz ZNOLBMBCLLJPRI-LBPRGKRZSA-N -1 0 307.368 -0.505 20 0 DBADRM CC(C)C[C@@H](C(N)=O)N(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001591431824 1016520090 /nfs/dbraw/zinc/52/00/90/1016520090.db2.gz LMKJAZCFRJFXNQ-QMMMGPOBSA-N -1 0 318.355 -0.372 20 0 DBADRM COCCOCCOC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001591439910 1016525585 /nfs/dbraw/zinc/52/55/85/1016525585.db2.gz IUYZKGWAXSZBNE-QMMMGPOBSA-N -1 0 311.302 -0.775 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NCc2ncnn2C)c1[O-] ZINC001424773363 1001791616 /nfs/dbraw/zinc/79/16/16/1001791616.db2.gz OTYMRDAZADQMQW-SFYZADRCSA-N -1 0 307.358 -0.151 20 0 DBADRM COCCOCCOCCCn1cnc(-c2nnn[n-]2)cc1=O ZINC001591440707 1016525954 /nfs/dbraw/zinc/52/59/54/1016525954.db2.gz SDOLVIBBLQFNFA-UHFFFAOYSA-N -1 0 324.341 -0.507 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CCCC12OCCO2 ZINC001413288140 1001803639 /nfs/dbraw/zinc/80/36/39/1001803639.db2.gz VAUPDCKUGCXXMB-SNVBAGLBSA-N -1 0 319.321 -0.517 20 0 DBADRM CCS(=O)(=O)CC[N-]S(=O)(=O)N=S(=O)(CC)CC ZINC001413291381 1001804319 /nfs/dbraw/zinc/80/43/19/1001804319.db2.gz UFYSOYQFZXUVNF-UHFFFAOYSA-N -1 0 320.458 -0.237 20 0 DBADRM Cn1nnc(NC(=O)c2nc[n-]c(=O)c2Br)n1 ZINC001413295244 1001806141 /nfs/dbraw/zinc/80/61/41/1001806141.db2.gz JPAPYPVUVGWLLG-UHFFFAOYSA-N -1 0 300.076 -0.280 20 0 DBADRM C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)C(N)=O ZINC001413321357 1001813893 /nfs/dbraw/zinc/81/38/93/1001813893.db2.gz YMUNWVLFFZVJDS-ASCAZGACSA-N -1 0 305.381 -0.149 20 0 DBADRM Cc1nocc1CN(C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001424971164 1001819016 /nfs/dbraw/zinc/81/90/16/1001819016.db2.gz ISDKJSIKIDFNCF-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM COC[C@@H](O)CNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001591452520 1016527847 /nfs/dbraw/zinc/52/78/47/1016527847.db2.gz ZUWMOFIQGIWTRT-ZETCQYMHSA-N -1 0 308.298 -0.987 20 0 DBADRM Cc1nn(C)c(=O)c(C(=O)NCc2nc([O-])cc(=O)[nH]2)c1C ZINC001413340940 1001819626 /nfs/dbraw/zinc/81/96/26/1001819626.db2.gz JCYFPBDCTXUGQT-UHFFFAOYSA-N -1 0 305.294 -0.472 20 0 DBADRM C[C@H](CN(C)C(=O)c1ccoc1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001424975473 1001819958 /nfs/dbraw/zinc/81/99/58/1001819958.db2.gz NRBJJUASDWTJOS-MRVPVSSYSA-N -1 0 323.309 -0.441 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H](n2ccnn2)CC1 ZINC001413344134 1001821475 /nfs/dbraw/zinc/82/14/75/1001821475.db2.gz PXSURCIHEONQNN-VIFPVBQESA-N -1 0 307.314 -0.465 20 0 DBADRM CC[C@H]1[C@H](CO)CCN1S(=O)(=O)c1cc(C(=O)OC)[nH]n1 ZINC001413352904 1001823207 /nfs/dbraw/zinc/82/32/07/1001823207.db2.gz JJKQHMJGGOVBGR-WPRPVWTQSA-N -1 0 317.367 -0.022 20 0 DBADRM COC(=O)c1ccnc(S(=O)(=O)N[C@@H](CO)CCF)c1 ZINC001413386520 1001834787 /nfs/dbraw/zinc/83/47/87/1001834787.db2.gz QXOHTPVQYUIZHL-SECBINFHSA-N -1 0 306.315 -0.133 20 0 DBADRM Cc1oncc1CN(C)[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001425054084 1001835724 /nfs/dbraw/zinc/83/57/24/1001835724.db2.gz IOYSBJQOUMUGOT-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM COCCc1nc(Cn2ccc(-c3nnn[n-]3)cc2=O)no1 ZINC001591448059 1016528995 /nfs/dbraw/zinc/52/89/95/1016528995.db2.gz VTYOUPZBIKGOFW-UHFFFAOYSA-N -1 0 303.282 -0.351 20 0 DBADRM COc1cnc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c(F)c1 ZINC001413390513 1001836368 /nfs/dbraw/zinc/83/63/68/1001836368.db2.gz XSSNINQYPKGRDI-SECBINFHSA-N -1 0 308.273 -0.044 20 0 DBADRM CO[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@](C)(CO)C1 ZINC001413404433 1001838236 /nfs/dbraw/zinc/83/82/36/1001838236.db2.gz HAYCGWSAEFUMLU-OTYXRUKQSA-N -1 0 321.337 -0.931 20 0 DBADRM CS(=O)(=O)CC(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001413407794 1001839517 /nfs/dbraw/zinc/83/95/17/1001839517.db2.gz MATJCMPEGIOFBJ-SNVBAGLBSA-N -1 0 324.362 -0.045 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-]N2CCCC2=O)cnc1C ZINC001413408673 1001839733 /nfs/dbraw/zinc/83/97/33/1001839733.db2.gz PBODSYMKSCQRPO-UHFFFAOYSA-N -1 0 313.335 -0.008 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2n[nH]cc2F)c1[O-] ZINC001433387473 1001844652 /nfs/dbraw/zinc/84/46/52/1001844652.db2.gz QTURIFRIJLTGPN-RXMQYKEDSA-N -1 0 310.289 -0.166 20 0 DBADRM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2nnn(C)n2)cc1 ZINC001413425503 1001845941 /nfs/dbraw/zinc/84/59/41/1001845941.db2.gz FOGPIYNUIKNTLM-UHFFFAOYSA-N -1 0 310.339 -0.353 20 0 DBADRM CCc1nn(C)cc1C(=O)N(C)C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001425099461 1001847662 /nfs/dbraw/zinc/84/76/62/1001847662.db2.gz MUSOROZGDWXWDF-VIFPVBQESA-N -1 0 319.369 -0.009 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)nn1 ZINC001413469451 1001855942 /nfs/dbraw/zinc/85/59/42/1001855942.db2.gz OMDDOBGTNYETMT-IUCAKERBSA-N -1 0 306.330 -0.808 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)nn1 ZINC001413469444 1001856372 /nfs/dbraw/zinc/85/63/72/1001856372.db2.gz OMDDOBGTNYETMT-DTWKUNHWSA-N -1 0 306.330 -0.808 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)c2s[n-]c(=O)c2Cl)C1 ZINC001413469505 1001856666 /nfs/dbraw/zinc/85/66/66/1001856666.db2.gz HEWXFCQZJCDDCV-UHFFFAOYSA-N -1 0 315.742 -0.026 20 0 DBADRM COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CC[C@@H](c3nnn[n-]3)C2)C1 ZINC001413472265 1001857805 /nfs/dbraw/zinc/85/78/05/1001857805.db2.gz SJKGVHCBPJUEMK-OUAUKWLOSA-N -1 0 323.353 -0.126 20 0 DBADRM Cc1n[nH]c(C(=O)NCCc2nnc3n2CCN(C)C3=O)c1[O-] ZINC001413507232 1001864651 /nfs/dbraw/zinc/86/46/51/1001864651.db2.gz FDBVKRSVEBIHCD-UHFFFAOYSA-N -1 0 319.325 -0.927 20 0 DBADRM C[C@@H](NC(=O)CN1CCCC1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001425204327 1001865222 /nfs/dbraw/zinc/86/52/22/1001865222.db2.gz GDTZLEXBMLYFTD-SECBINFHSA-N -1 0 322.369 -0.931 20 0 DBADRM CN(C)[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(F)(F)F ZINC001413524306 1001869561 /nfs/dbraw/zinc/86/95/61/1001869561.db2.gz LDQIXIHRPUVFNL-LURJTMIESA-N -1 0 311.264 -0.312 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](C)CC(N)=O)C(=O)[O-] ZINC001591453232 1016532382 /nfs/dbraw/zinc/53/23/82/1016532382.db2.gz DWPLXGADRQYUGY-IUCAKERBSA-N -1 0 301.343 -0.770 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@](CO)(C(F)(F)F)C1 ZINC001413544373 1001875844 /nfs/dbraw/zinc/87/58/44/1001875844.db2.gz UDPIQTFJQZDWCD-VIFPVBQESA-N -1 0 310.232 -0.537 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)OC)c1nnn[n-]1 ZINC001413549090 1001877014 /nfs/dbraw/zinc/87/70/14/1001877014.db2.gz BZXSAHNSAPAPSE-IVZWLZJFSA-N -1 0 311.342 -0.017 20 0 DBADRM COC[C@@H](NC(=O)c1coc2c1C(=O)NCCC2)c1nnn[n-]1 ZINC001413559421 1001878860 /nfs/dbraw/zinc/87/88/60/1001878860.db2.gz XVNKEKKJVNWKOR-MRVPVSSYSA-N -1 0 320.309 -0.414 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC001413568367 1001881612 /nfs/dbraw/zinc/88/16/12/1001881612.db2.gz POISNIOJGXNMKT-RNCFNFMXSA-N -1 0 323.357 -0.143 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C ZINC001413570765 1001882543 /nfs/dbraw/zinc/88/25/43/1001882543.db2.gz ZVWLPAKODDGNMS-IUCAKERBSA-N -1 0 300.363 -0.606 20 0 DBADRM CO[N-]C(=O)CNC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC001591467413 1016534616 /nfs/dbraw/zinc/53/46/16/1016534616.db2.gz NSXBIPVCNCFVQT-VOTSOKGWSA-N -1 0 302.294 -0.326 20 0 DBADRM CCC(C)(C)C(=O)NC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433582012 1001890270 /nfs/dbraw/zinc/89/02/70/1001890270.db2.gz DYYCYNYJAGKVON-ZETCQYMHSA-N -1 0 311.342 -0.047 20 0 DBADRM C[C@H]1COC[C@@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001413618872 1001891980 /nfs/dbraw/zinc/89/19/80/1001891980.db2.gz CCUYUQOTMWTBJJ-XVKPBYJWSA-N -1 0 300.336 -0.196 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC001433596736 1001893769 /nfs/dbraw/zinc/89/37/69/1001893769.db2.gz XNBZZHGBYHZUEU-UHFFFAOYSA-N -1 0 321.337 -0.243 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001413630319 1001894231 /nfs/dbraw/zinc/89/42/31/1001894231.db2.gz GUZZHXDRWYSMAI-SECBINFHSA-N -1 0 313.383 -0.252 20 0 DBADRM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N(C)CC(N)=O ZINC001433609439 1001897220 /nfs/dbraw/zinc/89/72/20/1001897220.db2.gz QCDHXVIJYKGDME-UHFFFAOYSA-N -1 0 316.321 -0.566 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1ccnc(CO)c1)C(=O)[O-] ZINC001591463032 1016537094 /nfs/dbraw/zinc/53/70/94/1016537094.db2.gz BETWDRBERFFPKD-LBPRGKRZSA-N -1 0 323.349 -0.081 20 0 DBADRM CNC(=O)C1(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCCC1 ZINC001433633340 1001918270 /nfs/dbraw/zinc/91/82/70/1001918270.db2.gz CEJYNAMTFSFYRV-UHFFFAOYSA-N -1 0 311.342 -0.356 20 0 DBADRM Cc1cc(COCC(=O)N2CCO[C@H](c3nnn[n-]3)C2)no1 ZINC001433662431 1001928259 /nfs/dbraw/zinc/92/82/59/1001928259.db2.gz DPKCFVGHERWFAE-JTQLQIEISA-N -1 0 308.298 -0.387 20 0 DBADRM CC(C)N(C)C(=O)[C@@H](C)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001591543060 1016548161 /nfs/dbraw/zinc/54/81/61/1016548161.db2.gz XQBKEFSTCLCRLT-GHMZBOCLSA-N -1 0 320.411 -0.185 20 0 DBADRM C[C@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)[C@@H](C)S(C)(=O)=O ZINC001433666140 1001936068 /nfs/dbraw/zinc/93/60/68/1001936068.db2.gz UENDZJXVHWQOSN-DJLDLDEBSA-N -1 0 317.371 -0.831 20 0 DBADRM COc1cc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)ncn1 ZINC001591544393 1016549361 /nfs/dbraw/zinc/54/93/61/1016549361.db2.gz YNFJABNRNAKTSZ-ZCFIWIBFSA-N -1 0 316.285 -0.544 20 0 DBADRM CC(C)N(C)C(=O)CN1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001591550924 1016549478 /nfs/dbraw/zinc/54/94/78/1016549478.db2.gz OMIZFFUUQPLFHS-RYUDHWBXSA-N -1 0 311.382 -0.284 20 0 DBADRM CC(C)N(C)C(=O)CN1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001591550927 1016550520 /nfs/dbraw/zinc/55/05/20/1016550520.db2.gz OMIZFFUUQPLFHS-VXGBXAGGSA-N -1 0 311.382 -0.284 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)C2=CCCC2)c1[O-] ZINC001425332433 1001972789 /nfs/dbraw/zinc/97/27/89/1001972789.db2.gz BRIQOBIUUSOBHO-SNVBAGLBSA-N -1 0 308.338 -0.259 20 0 DBADRM COc1cc(C)nc(NCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001591522809 1016544005 /nfs/dbraw/zinc/54/40/05/1016544005.db2.gz NWCAWOOFCCVGIA-UHFFFAOYSA-N -1 0 302.302 -0.323 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001433696877 1001976500 /nfs/dbraw/zinc/97/65/00/1001976500.db2.gz VOKYJBRHYQWEQG-QMMMGPOBSA-N -1 0 320.371 -0.591 20 0 DBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001433698428 1001977244 /nfs/dbraw/zinc/97/72/44/1001977244.db2.gz KVUAEXRHEABZHG-WDSKDSINSA-N -1 0 304.328 -0.824 20 0 DBADRM COc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NCC(=O)[O-] ZINC001591508981 1016545094 /nfs/dbraw/zinc/54/50/94/1016545094.db2.gz UHKGOZAPTATXGH-UHFFFAOYSA-N -1 0 313.295 -0.762 20 0 DBADRM CC(C)Cc1ncc(NC(=O)NCC(=O)NCC(=O)[O-])cn1 ZINC001591496825 1016546068 /nfs/dbraw/zinc/54/60/68/1016546068.db2.gz MDRCDHWVVVDQME-UHFFFAOYSA-N -1 0 309.326 -0.003 20 0 DBADRM COC(=O)c1cc(C2CN(C(=O)c3cc(=O)[nH]cn3)C2)[nH]n1 ZINC001413770203 1001998299 /nfs/dbraw/zinc/99/82/99/1001998299.db2.gz XMLACFYJENCGGN-UHFFFAOYSA-N -1 0 303.278 -0.069 20 0 DBADRM CNC(=O)c1cccc(CCNC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001433727499 1002000815 /nfs/dbraw/zinc/00/08/15/1002000815.db2.gz PDYOXZUCQLBTHM-UHFFFAOYSA-N -1 0 319.321 -0.592 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001591605234 1016553369 /nfs/dbraw/zinc/55/33/69/1016553369.db2.gz IGRZBWQKEOWEQM-ZJUUUORDSA-N -1 0 314.338 -0.282 20 0 DBADRM CC(C)N(CCS(C)(=O)=O)C(=O)Cn1ccc(C(=O)[O-])n1 ZINC001591595629 1016553597 /nfs/dbraw/zinc/55/35/97/1016553597.db2.gz XLOXCSCCLSQRKR-UHFFFAOYSA-N -1 0 317.367 -0.137 20 0 DBADRM COC[C@@H](O)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001413776594 1002007396 /nfs/dbraw/zinc/00/73/96/1002007396.db2.gz MQIBGHWCJMAWSO-JTQLQIEISA-N -1 0 308.294 -0.997 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCCC[C@@H]1CCn1ccnn1 ZINC001413788513 1002011084 /nfs/dbraw/zinc/01/10/84/1002011084.db2.gz JRFWGINOCOJSHP-SECBINFHSA-N -1 0 319.325 -0.041 20 0 DBADRM CC(C)N1CC[C@@H](NC(=O)NCCn2cc(C(=O)[O-])nn2)C1=O ZINC001591616482 1016554474 /nfs/dbraw/zinc/55/44/74/1016554474.db2.gz FXMQDGFMXDBWMS-SECBINFHSA-N -1 0 324.341 -0.715 20 0 DBADRM CC(C)N1C(=O)C[C@H](NC(=O)Cn2ccc(C(=O)[O-])n2)C1=O ZINC001591604128 1016554748 /nfs/dbraw/zinc/55/47/48/1016554748.db2.gz JANUPNSEQBXGLD-VIFPVBQESA-N -1 0 308.294 -0.767 20 0 DBADRM CC(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1=O ZINC001591617211 1016555874 /nfs/dbraw/zinc/55/58/74/1016555874.db2.gz ZJDUMGJDHPAXDX-AEJSXWLSSA-N -1 0 311.338 -0.909 20 0 DBADRM CC(C)N1CC[C@@H](n2nnnc2N2CC[C@H](C(=O)[O-])C2)C1=O ZINC001591623246 1016555933 /nfs/dbraw/zinc/55/59/33/1016555933.db2.gz RAOLSTOKHOBHEY-VHSXEESVSA-N -1 0 308.342 -0.234 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC2(F)F)c1[O-] ZINC001425369050 1002022033 /nfs/dbraw/zinc/02/20/33/1002022033.db2.gz RFPCAGFAKGTHAX-RNFRBKRXSA-N -1 0 318.280 -0.714 20 0 DBADRM CC(C)NC(=O)CCCC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001591640418 1016556331 /nfs/dbraw/zinc/55/63/31/1016556331.db2.gz WYVLBPSRLDUGKO-SNVBAGLBSA-N -1 0 313.354 -0.565 20 0 DBADRM C[C@H]1CCCN(C(=O)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001413812506 1002024655 /nfs/dbraw/zinc/02/46/55/1002024655.db2.gz KRFQUUYCHNPPAN-QMMMGPOBSA-N -1 0 309.326 -0.339 20 0 DBADRM CC(C)NC(=O)CNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001591644677 1016557215 /nfs/dbraw/zinc/55/72/15/1016557215.db2.gz BJGHUDXWQHRWNC-UHFFFAOYSA-N -1 0 321.333 -0.107 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(N2CCCCC2=O)CC1 ZINC001433791277 1002031317 /nfs/dbraw/zinc/03/13/17/1002031317.db2.gz QBEDPFUAFCAEIE-UHFFFAOYSA-N -1 0 321.337 -0.100 20 0 DBADRM CC(C)NC(=O)CN(C)CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001591641127 1016557867 /nfs/dbraw/zinc/55/78/67/1016557867.db2.gz JRCXCTCAFGJELX-ZWNOBZJWSA-N -1 0 315.370 -0.951 20 0 DBADRM CCC(=O)N1CC[C@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001495121361 1016558020 /nfs/dbraw/zinc/55/80/20/1016558020.db2.gz TYIKCBQEXOYTGV-SECBINFHSA-N -1 0 323.353 -0.410 20 0 DBADRM CO[C@@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)c1cnn(C)c1 ZINC001413849657 1002040635 /nfs/dbraw/zinc/04/06/35/1002040635.db2.gz JJXKKCKAEKPZBL-SSDOTTSWSA-N -1 0 314.327 -0.732 20 0 DBADRM C[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1n1ccnc1 ZINC001433805694 1002040717 /nfs/dbraw/zinc/04/07/17/1002040717.db2.gz KIRBMOJXLONWSO-NXEZZACHSA-N -1 0 306.326 -0.005 20 0 DBADRM CC(C)NC(=O)CN1CCN(c2nccnc2C(=O)[O-])CC1 ZINC001591645452 1016559556 /nfs/dbraw/zinc/55/95/56/1016559556.db2.gz SLHNIBHTORSUGT-UHFFFAOYSA-N -1 0 307.354 -0.179 20 0 DBADRM COc1ccccc1Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC001591651098 1016559584 /nfs/dbraw/zinc/55/95/84/1016559584.db2.gz IXJVCGKIPZYYET-UHFFFAOYSA-N -1 0 314.305 -0.216 20 0 DBADRM CC(C)NC(=O)CN1CCC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001591645249 1016560125 /nfs/dbraw/zinc/56/01/25/1016560125.db2.gz QZUKGJJZMHLOGU-NWDGAFQWSA-N -1 0 311.382 -0.188 20 0 DBADRM CC(C)NC(=O)CN1CCN(c2cc(C(=O)[O-])ncn2)CC1 ZINC001591645220 1016560462 /nfs/dbraw/zinc/56/04/62/1016560462.db2.gz QRAKMSBNPYYUBW-UHFFFAOYSA-N -1 0 307.354 -0.179 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001433828002 1002053245 /nfs/dbraw/zinc/05/32/45/1002053245.db2.gz FCLLAADFEQFSHE-SFYZADRCSA-N -1 0 309.326 -0.890 20 0 DBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001591647523 1016561440 /nfs/dbraw/zinc/56/14/40/1016561440.db2.gz RVFVCTOTDLIRII-IINYFYTJSA-N -1 0 313.354 -0.383 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@]1(O)CCc2ccccc21 ZINC001433832878 1002057809 /nfs/dbraw/zinc/05/78/09/1002057809.db2.gz PBXFREBSYLRAQD-AWEZNQCLSA-N -1 0 304.306 -0.361 20 0 DBADRM CC(C)NC(=O)NC1(C(=O)NC[C@H](O)C(=O)[O-])CCCCC1 ZINC001591647468 1016562079 /nfs/dbraw/zinc/56/20/79/1016562079.db2.gz OQJMUXFJTOYLKV-JTQLQIEISA-N -1 0 315.370 -0.041 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)[C@@H]3CCCO3)CC2)c1[O-] ZINC001433840587 1002062019 /nfs/dbraw/zinc/06/20/19/1002062019.db2.gz ZMWCRGMOVQMZTB-VIFPVBQESA-N -1 0 308.338 -0.019 20 0 DBADRM C[C@@H](O)[C@@H]1CCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001433856855 1002074377 /nfs/dbraw/zinc/07/43/77/1002074377.db2.gz RLXPCAOWBDYHEW-KOLCDFICSA-N -1 0 305.338 -0.167 20 0 DBADRM CS(=O)(=O)CC1(CCNc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001591672684 1016565798 /nfs/dbraw/zinc/56/57/98/1016565798.db2.gz ATFOSGUSERGZNW-UHFFFAOYSA-N -1 0 323.382 -0.295 20 0 DBADRM Cc1nc(CN(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)no1 ZINC001433871419 1002083472 /nfs/dbraw/zinc/08/34/72/1002083472.db2.gz VAJNOHFDDKNSFL-UHFFFAOYSA-N -1 0 303.282 -0.579 20 0 DBADRM COC[C@H](O)CNC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001413955316 1002088798 /nfs/dbraw/zinc/08/87/98/1002088798.db2.gz PFLHFQZQHORKKK-VHSXEESVSA-N -1 0 311.342 -0.933 20 0 DBADRM CC(C)Cn1[n-]c(CC(=O)N2CC[C@@H](NC(N)=O)C2)cc1=O ZINC001433878905 1002091411 /nfs/dbraw/zinc/09/14/11/1002091411.db2.gz CWDNTERPJMYBQP-SNVBAGLBSA-N -1 0 309.370 -0.356 20 0 DBADRM CC(C)OC(=O)CCN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001591676133 1016569187 /nfs/dbraw/zinc/56/91/87/1016569187.db2.gz RMGAOUWUJZGKCW-SNVBAGLBSA-N -1 0 307.368 -0.098 20 0 DBADRM CC(C)OC(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001591675793 1016569314 /nfs/dbraw/zinc/56/93/14/1016569314.db2.gz JBRIWVGWQMFHGQ-UHFFFAOYSA-N -1 0 305.312 -0.272 20 0 DBADRM CC(=O)CC1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCC1 ZINC001433907681 1002105423 /nfs/dbraw/zinc/10/54/23/1002105423.db2.gz VMYZREIMANRXNK-UHFFFAOYSA-N -1 0 304.368 -0.282 20 0 DBADRM CC(C)OC(=O)CCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001591676036 1016569854 /nfs/dbraw/zinc/56/98/54/1016569854.db2.gz QDXFBCJXCCFJPZ-JTQLQIEISA-N -1 0 314.338 -0.090 20 0 DBADRM CCOc1cc(C(=O)NCC2(NC(=O)c3cn[nH]n3)CC2)[nH]n1 ZINC001433914787 1002111416 /nfs/dbraw/zinc/11/14/16/1002111416.db2.gz WFYIUVDKCDYZFC-UHFFFAOYSA-N -1 0 319.325 -0.381 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N2CCSC[C@H]2c2nnn[n-]2)cn1 ZINC001433926983 1002120331 /nfs/dbraw/zinc/12/03/31/1002120331.db2.gz WIENONDQLGXUAY-DTWKUNHWSA-N -1 0 309.355 -0.717 20 0 DBADRM O=C(c1cnc2n1CCOC2)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001433936507 1002124223 /nfs/dbraw/zinc/12/42/23/1002124223.db2.gz QSNCCSQFVLIBOX-UHFFFAOYSA-N -1 0 319.325 -0.950 20 0 DBADRM CCc1cc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)n(C)n1 ZINC001433936502 1002124768 /nfs/dbraw/zinc/12/47/68/1002124768.db2.gz QKOFTTTVBUGETA-UHFFFAOYSA-N -1 0 305.342 -0.381 20 0 DBADRM COc1ncc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cn1 ZINC001433937042 1002126885 /nfs/dbraw/zinc/12/68/85/1002126885.db2.gz MPRCRKFUPWRIEX-UHFFFAOYSA-N -1 0 305.298 -0.878 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CCN(c2nccs2)CC1 ZINC001433950371 1002130959 /nfs/dbraw/zinc/13/09/59/1002130959.db2.gz PQLLKEDINYBPHP-UHFFFAOYSA-N -1 0 324.366 -0.069 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCN(c2ncc[nH]2)CC1 ZINC001433951488 1002131152 /nfs/dbraw/zinc/13/11/52/1002131152.db2.gz GTCQFDRJYXMFIZ-UHFFFAOYSA-N -1 0 321.341 -0.459 20 0 DBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@]2(CCCOC2)O1 ZINC001433952003 1002131687 /nfs/dbraw/zinc/13/16/87/1002131687.db2.gz WVTAPPSAZILSJN-TVQRCGJNSA-N -1 0 312.326 -0.514 20 0 DBADRM CS(=O)(=O)c1cccnc1C(=O)NCCc1nc(=O)o[n-]1 ZINC001433963656 1002138169 /nfs/dbraw/zinc/13/81/69/1002138169.db2.gz QITFBTGTXRZVRY-UHFFFAOYSA-N -1 0 312.307 -0.866 20 0 DBADRM NC(=O)N1CC[C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001433972532 1002144127 /nfs/dbraw/zinc/14/41/27/1002144127.db2.gz DITJGLMRDDLSEG-QMMMGPOBSA-N -1 0 304.310 -0.847 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC001433977507 1002146493 /nfs/dbraw/zinc/14/64/93/1002146493.db2.gz ACBCZZCQAMIKFE-PHDIDXHHSA-N -1 0 322.243 -0.084 20 0 DBADRM CS(=O)(=O)NCCNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001591679479 1016576101 /nfs/dbraw/zinc/57/61/01/1016576101.db2.gz GNHLTRFMCFUTCS-UHFFFAOYSA-N -1 0 323.791 -0.062 20 0 DBADRM CS(=O)(=O)N1CC[C@H](Cn2ccc(-c3nnn[n-]3)cc2=O)C1 ZINC001591681193 1016576226 /nfs/dbraw/zinc/57/62/26/1016576226.db2.gz ZTDZZBPWPNVIDN-SECBINFHSA-N -1 0 324.366 -0.690 20 0 DBADRM CC1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC[S@@]1=O ZINC001433992219 1002152728 /nfs/dbraw/zinc/15/27/28/1002152728.db2.gz IZAOXOYQSXRFFY-FQEVSTJZSA-N -1 0 302.356 -0.551 20 0 DBADRM Cn1nccc1[C@@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCO1 ZINC001433993949 1002154922 /nfs/dbraw/zinc/15/49/22/1002154922.db2.gz PVAUDJVZILKKQM-WPRPVWTQSA-N -1 0 322.325 -0.541 20 0 DBADRM CNC(=O)C[C@H](C)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001433995821 1002156126 /nfs/dbraw/zinc/15/61/26/1002156126.db2.gz ZQLZARCBQLQUCN-LURJTMIESA-N -1 0 305.294 -0.310 20 0 DBADRM CCC(=O)N[C@H](CO)CNC(=O)c1n[n-]c2ccccc2c1=O ZINC001425534303 1002164035 /nfs/dbraw/zinc/16/40/35/1002164035.db2.gz UUZXBWJNVJLWES-VIFPVBQESA-N -1 0 318.333 -0.048 20 0 DBADRM CCN1C[C@@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1=O ZINC001434008704 1002165161 /nfs/dbraw/zinc/16/51/61/1002165161.db2.gz AYYLNMHWEZSWEO-JTQLQIEISA-N -1 0 315.337 -0.575 20 0 DBADRM CC(C)S(=O)(=O)CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001434040408 1002185944 /nfs/dbraw/zinc/18/59/44/1002185944.db2.gz DTMMJLAQXUVFPB-UHFFFAOYSA-N -1 0 320.371 -0.591 20 0 DBADRM CC(C)OCCNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001591724675 1016583047 /nfs/dbraw/zinc/58/30/47/1016583047.db2.gz FBDKCOBNGHRZMT-JTQLQIEISA-N -1 0 302.327 -0.770 20 0 DBADRM CCCC(=O)N[C@H]1C[C@H](C)N(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001425637643 1002254735 /nfs/dbraw/zinc/25/47/35/1002254735.db2.gz MIBOGTXOWBIPTL-IUCAKERBSA-N -1 0 311.342 -0.405 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC(=O)OC(C)(C)C ZINC001414214710 1002255398 /nfs/dbraw/zinc/25/53/98/1002255398.db2.gz NXQUPPJFPFDKMC-SFHVURJKSA-N -1 0 315.417 -0.263 20 0 DBADRM CC1(C)CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H](CO)O1 ZINC001434106864 1002263318 /nfs/dbraw/zinc/26/33/18/1002263318.db2.gz IUYJKEKWBOAMGR-SSDOTTSWSA-N -1 0 302.356 -0.399 20 0 DBADRM CC(C)Oc1ccc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])cn1 ZINC001591791324 1016593198 /nfs/dbraw/zinc/59/31/98/1016593198.db2.gz QYWGCTKEBRNVFE-GFCCVEGCSA-N -1 0 318.351 -0.017 20 0 DBADRM COC[C@@H](CS(=O)(=O)[N-][C@@](C)(COC)C(=O)OC)OC ZINC001414234208 1002269663 /nfs/dbraw/zinc/26/96/63/1002269663.db2.gz VHTBWHWHEDHZON-ONGXEEELSA-N -1 0 313.372 -0.855 20 0 DBADRM Cn1cc(C(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)n(C)c1=O ZINC001434119921 1002275877 /nfs/dbraw/zinc/27/58/77/1002275877.db2.gz PYBGJWOCAALMDE-MRVPVSSYSA-N -1 0 309.326 -0.083 20 0 DBADRM CC(C)S(=O)(=O)CCNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001591820620 1016597585 /nfs/dbraw/zinc/59/75/85/1016597585.db2.gz NLHTWQNFMZDPAG-ZJUUUORDSA-N -1 0 322.383 -0.307 20 0 DBADRM C[C@@H]1C[C@@H](CS(=O)(=O)NCCc2nc(=O)o[n-]2)CCO1 ZINC001414262953 1002290202 /nfs/dbraw/zinc/29/02/02/1002290202.db2.gz HZNMXADCNWLWOH-BDAKNGLRSA-N -1 0 305.356 -0.360 20 0 DBADRM CC(C)S(=O)(=O)CC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001591820606 1016597898 /nfs/dbraw/zinc/59/78/98/1016597898.db2.gz NJQGLVPEGLGMCI-VHSXEESVSA-N -1 0 307.368 -0.052 20 0 DBADRM Cc1c(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)cnn1C ZINC001591825415 1016598024 /nfs/dbraw/zinc/59/80/24/1016598024.db2.gz QQTUKDSSOSSKNX-SSDOTTSWSA-N -1 0 302.302 -0.300 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001414267830 1002295132 /nfs/dbraw/zinc/29/51/32/1002295132.db2.gz CFBJPYMBGWWSHU-SNVBAGLBSA-N -1 0 312.355 -0.481 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1cnn(C)n1 ZINC001414266458 1002295513 /nfs/dbraw/zinc/29/55/13/1002295513.db2.gz FEDUWVILORSUKY-UHFFFAOYSA-N -1 0 300.296 -0.327 20 0 DBADRM COC(=O)[C@@H](CF)[N-]S(=O)(=O)CCOC1CCOCC1 ZINC001414277646 1002302840 /nfs/dbraw/zinc/30/28/40/1002302840.db2.gz PTTPOYMCKJXBMV-SNVBAGLBSA-N -1 0 313.347 -0.388 20 0 DBADRM CC[C@](COC)([N-]S(=O)(=O)Cc1noc(C)n1)C(=O)OC ZINC001414281516 1002303707 /nfs/dbraw/zinc/30/37/07/1002303707.db2.gz OZWZPRGCTOFZLB-LLVKDONJSA-N -1 0 321.355 -0.234 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc2c(c1)CCNC2=O ZINC001434170230 1002305932 /nfs/dbraw/zinc/30/59/32/1002305932.db2.gz IDXOPRVLDKPGPH-UHFFFAOYSA-N -1 0 303.278 -0.386 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001591846449 1016600333 /nfs/dbraw/zinc/60/03/33/1016600333.db2.gz PGQYDVOKSYXJOI-GXSJLCMTSA-N -1 0 308.338 -0.374 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCC1(CO)COC1 ZINC001591836010 1016600654 /nfs/dbraw/zinc/60/06/54/1016600654.db2.gz SWIAWUSPGHTLGT-UHFFFAOYSA-N -1 0 320.309 -0.986 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2CC[C@@]3(O)C[C@H]3C2)co1 ZINC001434185827 1002309430 /nfs/dbraw/zinc/30/94/30/1002309430.db2.gz XYJQGXHWBFDXMX-JOYOIKCWSA-N -1 0 300.336 -0.215 20 0 DBADRM COC(=O)C1=CC[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001434191115 1002311451 /nfs/dbraw/zinc/31/14/51/1002311451.db2.gz SJPOSAWTPNJBOF-VIFPVBQESA-N -1 0 310.310 -0.153 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)NCCOC(N)=O ZINC001591835282 1016602120 /nfs/dbraw/zinc/60/21/20/1016602120.db2.gz BZBAXBJUGGTWDY-UHFFFAOYSA-N -1 0 307.270 -0.485 20 0 DBADRM Cc1nn(CCn2cc(C)cc(-c3nnn[n-]3)c2=O)c(=O)o1 ZINC001591837015 1016602299 /nfs/dbraw/zinc/60/22/99/1016602299.db2.gz STQUHWOSHLFYQK-UHFFFAOYSA-N -1 0 303.282 -0.505 20 0 DBADRM CC(C)[C@H](NC(=O)CN1C(=O)[C@@H]2CSCN2C1=O)C(=O)[O-] ZINC001591867721 1016604075 /nfs/dbraw/zinc/60/40/75/1016604075.db2.gz VLPBWIKAKWEGEJ-CBAPKCEASA-N -1 0 315.351 -0.451 20 0 DBADRM CC(C)[C@H](NC(=O)CN1C(=O)[C@H]2CSCN2C1=O)C(=O)[O-] ZINC001591867719 1016604197 /nfs/dbraw/zinc/60/41/97/1016604197.db2.gz VLPBWIKAKWEGEJ-APPZFPTMSA-N -1 0 315.351 -0.451 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CCC(=O)C[C@H]2C)n[nH]1 ZINC001414342265 1002332803 /nfs/dbraw/zinc/33/28/03/1002332803.db2.gz IYWMZOWQALGQGX-SSDOTTSWSA-N -1 0 301.324 -0.062 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC[C@H]2COC(=O)N[C@@H]2C1)C(=O)[O-] ZINC001591870049 1016604394 /nfs/dbraw/zinc/60/43/94/1016604394.db2.gz GWFQSMPVXUJXBI-UMNHJUIQSA-N -1 0 313.354 -0.358 20 0 DBADRM Cc1cc(C)c(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)o1 ZINC001425728216 1002337006 /nfs/dbraw/zinc/33/70/06/1002337006.db2.gz CIYAJTNIHCHVPB-VIFPVBQESA-N -1 0 309.326 -0.399 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H](CO)c1ncc[nH]1 ZINC001414350528 1002337053 /nfs/dbraw/zinc/33/70/53/1002337053.db2.gz ABHMBCXWGMCUFL-QMMMGPOBSA-N -1 0 315.307 -0.199 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]CC(F)(F)C(=O)OC ZINC001414351285 1002340958 /nfs/dbraw/zinc/34/09/58/1002340958.db2.gz HSALEMMMXBASDO-UHFFFAOYSA-N -1 0 317.310 -0.087 20 0 DBADRM CN(C)Cc1cc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)no1 ZINC001434270461 1002350179 /nfs/dbraw/zinc/35/01/79/1002350179.db2.gz MTCHQHPBRKQHPH-JTQLQIEISA-N -1 0 307.314 -0.537 20 0 DBADRM O=C(CCCc1nnn[n-]1)N[C@@H](CO)[C@H](O)c1ccccn1 ZINC001434274936 1002352388 /nfs/dbraw/zinc/35/23/88/1002352388.db2.gz GJGTXRPQCZKFLV-GXFFZTMASA-N -1 0 306.326 -0.872 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001591879408 1016607816 /nfs/dbraw/zinc/60/78/16/1016607816.db2.gz WWBDPRZXAFNFBK-WPRPVWTQSA-N -1 0 321.351 -0.810 20 0 DBADRM Cc1cn2c(n1)C[C@H](C(=O)N1CCOC[C@@H]1c1nnn[n-]1)CC2 ZINC001434278366 1002355582 /nfs/dbraw/zinc/35/55/82/1002355582.db2.gz UHLBIXRMLFQBTC-GHMZBOCLSA-N -1 0 317.353 -0.133 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)c1ccc2nnnn2c1)C(=O)[O-] ZINC001591876228 1016608953 /nfs/dbraw/zinc/60/89/53/1016608953.db2.gz IMCVCANLWWMTGB-NSHDSACASA-N -1 0 321.293 -0.494 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)c1ccn(C)c(=O)c1)C(=O)[O-] ZINC001591875874 1016609282 /nfs/dbraw/zinc/60/92/82/1016609282.db2.gz AVASOJMAIBCHMC-LBPRGKRZSA-N -1 0 310.306 -0.233 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@H](CC(N)=O)C2)n1 ZINC001591889042 1016610416 /nfs/dbraw/zinc/61/04/16/1016610416.db2.gz WHNSESKWYKLXTG-QMMMGPOBSA-N -1 0 304.314 -0.954 20 0 DBADRM CC(C)[C@H](NCC(F)(F)F)C(=O)NCC(=O)NCC(=O)[O-] ZINC001591893134 1016610587 /nfs/dbraw/zinc/61/05/87/1016610587.db2.gz MHZXZCDYLQGCFV-VIFPVBQESA-N -1 0 313.276 -0.520 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC001425747237 1002368030 /nfs/dbraw/zinc/36/80/30/1002368030.db2.gz DDTJSWOMVJTEMJ-SNVBAGLBSA-N -1 0 305.346 -0.350 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CC[N@H+](CCO)[C@@H](C)C2)n1 ZINC001591887372 1016610946 /nfs/dbraw/zinc/61/09/46/1016610946.db2.gz GVJPVIHXVHVAHM-JTQLQIEISA-N -1 0 304.358 -0.532 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCC[C@@H](S(C)(=O)=O)C2)n1 ZINC001591887396 1016610982 /nfs/dbraw/zinc/61/09/82/1016610982.db2.gz AZHQDSQZWRBDCC-SECBINFHSA-N -1 0 323.382 -0.021 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)co1 ZINC001434314175 1002372986 /nfs/dbraw/zinc/37/29/86/1002372986.db2.gz FSMPUSAVRPFHKM-SSDOTTSWSA-N -1 0 311.323 -0.174 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCCC[C@@H]1CS(C)(=O)=O ZINC001414445531 1002373653 /nfs/dbraw/zinc/37/36/53/1002373653.db2.gz DQTHKFBJLOYELJ-SECBINFHSA-N -1 0 316.387 -0.454 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCC[C@@H](CNC(N)=O)C2)n1 ZINC001591889194 1016611449 /nfs/dbraw/zinc/61/14/49/1016611449.db2.gz MBWOTTQYGULQMP-VIFPVBQESA-N -1 0 317.357 -0.150 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCc2nc(C)ncc2C1 ZINC001425753814 1002378237 /nfs/dbraw/zinc/37/82/37/1002378237.db2.gz IJUFZYUPYQAAPA-SNVBAGLBSA-N -1 0 302.342 -0.108 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001425754098 1002379123 /nfs/dbraw/zinc/37/91/23/1002379123.db2.gz MNCSCWBETKCJJH-SECBINFHSA-N -1 0 307.358 -0.363 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@H]3COCC[C@@H]32)n1 ZINC001591888285 1016612143 /nfs/dbraw/zinc/61/21/43/1016612143.db2.gz IDRJMCZITIISHV-WDEREUQCSA-N -1 0 303.326 -0.041 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(N2CCN3C(=O)OCC[C@H]3C2)n1 ZINC001591889185 1016612993 /nfs/dbraw/zinc/61/29/93/1016612993.db2.gz ZPOMOVAJPMDBFS-VIFPVBQESA-N -1 0 316.325 -0.004 20 0 DBADRM Cc1cc(-c2nn[nH]n2)nc(NC[C@H]2CC(C(N)=O)=NO2)n1 ZINC001591894952 1016613100 /nfs/dbraw/zinc/61/31/00/1016613100.db2.gz IJVZJYPBBDCKMC-ZCFIWIBFSA-N -1 0 303.286 -0.993 20 0 DBADRM CC(C)[C@H](O)C(=O)N1[C@@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-] ZINC001591905203 1016614715 /nfs/dbraw/zinc/61/47/15/1016614715.db2.gz AHBQZTPGLBVZKR-KKZNHRDASA-N -1 0 318.395 -0.116 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCC(Cc2nn[nH]n2)CC1 ZINC001434343577 1002398716 /nfs/dbraw/zinc/39/87/16/1002398716.db2.gz BCGBPGKOSNQTLL-UHFFFAOYSA-N -1 0 305.346 -0.483 20 0 DBADRM Cn1ccnc1C1(O)CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001434344610 1002402863 /nfs/dbraw/zinc/40/28/63/1002402863.db2.gz ILELORSMAIYOPB-UHFFFAOYSA-N -1 0 305.342 -0.624 20 0 DBADRM C[S@](=N)(=O)N1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001434349766 1002406946 /nfs/dbraw/zinc/40/69/46/1002406946.db2.gz IBYYNXBMXAEGIE-JOCHJYFZSA-N -1 0 324.366 -0.628 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)NC1(c2nnn[n-]2)CCC1 ZINC001434359747 1002413154 /nfs/dbraw/zinc/41/31/54/1002413154.db2.gz LTWBLUVLFRVTJS-UHFFFAOYSA-N -1 0 304.310 -0.429 20 0 DBADRM CCOC(=O)N(C)CCCC(=O)N[C@@H](COC)c1nnn[n-]1 ZINC001434362738 1002417265 /nfs/dbraw/zinc/41/72/65/1002417265.db2.gz HXJZUCVNJKZUKW-VIFPVBQESA-N -1 0 314.346 -0.128 20 0 DBADRM O=C(CN1CCCNC1=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001434365755 1002418877 /nfs/dbraw/zinc/41/88/77/1002418877.db2.gz QIIQYLDYFPENBN-JTQLQIEISA-N -1 0 307.358 -0.604 20 0 DBADRM Cn1ccnc1COCC(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001434364552 1002419872 /nfs/dbraw/zinc/41/98/72/1002419872.db2.gz IONUAFOKVOJUGW-LLVKDONJSA-N -1 0 319.369 -0.069 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)c1nnn[n-]1 ZINC001434365090 1002419943 /nfs/dbraw/zinc/41/99/43/1002419943.db2.gz WKIBVYFCOIMAAR-IUCAKERBSA-N -1 0 310.358 -0.350 20 0 DBADRM COC[C@@H](NC(=O)Cc1ccc(OC)c(O)c1)c1nnn[n-]1 ZINC001434364914 1002420253 /nfs/dbraw/zinc/42/02/53/1002420253.db2.gz TZAVMGIAWHCVPK-SECBINFHSA-N -1 0 307.310 -0.040 20 0 DBADRM CCOC(=O)[C@H](COC)NC(=O)c1c[n-]n2c1nccc2=O ZINC001434364501 1002420301 /nfs/dbraw/zinc/42/03/01/1002420301.db2.gz MDURVGURYHNBEF-VIFPVBQESA-N -1 0 308.294 -0.670 20 0 DBADRM Cc1cc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)c(C)nn1 ZINC001591976239 1016618665 /nfs/dbraw/zinc/61/86/65/1016618665.db2.gz CFAHKWJMPAUYTE-UHFFFAOYSA-N -1 0 314.309 -0.818 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CC[C@H](C2OCCO2)C1 ZINC001434371465 1002426235 /nfs/dbraw/zinc/42/62/35/1002426235.db2.gz SBSRCYDJWADXKB-ZETCQYMHSA-N -1 0 300.340 -0.176 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H]2CC23CC3)c1[O-] ZINC001425783401 1002426563 /nfs/dbraw/zinc/42/65/63/1002426563.db2.gz KUVVSBDPYUWVBV-NXEZZACHSA-N -1 0 322.365 -0.227 20 0 DBADRM Cc1cc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)cc(C)n1 ZINC001591928590 1016619580 /nfs/dbraw/zinc/61/95/80/1016619580.db2.gz IVRYVBQSLZMEEP-UHFFFAOYSA-N -1 0 313.325 -0.100 20 0 DBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2C[C@@H](O)[C@@H](O)C2)cn1 ZINC001434378031 1002430793 /nfs/dbraw/zinc/43/07/93/1002430793.db2.gz HVFTUYOSESLXCW-ILWJIGKKSA-N -1 0 315.351 -0.933 20 0 DBADRM Cn1nccc1[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CCO1 ZINC001434395551 1002444373 /nfs/dbraw/zinc/44/43/73/1002444373.db2.gz DAIHDTQFBFFODN-VIFPVBQESA-N -1 0 308.298 -0.977 20 0 DBADRM CC(C)c1nc(S(=O)(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c[nH]1 ZINC001592030833 1016622936 /nfs/dbraw/zinc/62/29/36/1016622936.db2.gz YSRQUECIEQCRFY-DTWKUNHWSA-N -1 0 317.367 -0.011 20 0 DBADRM Cc1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)cc2=O)on1 ZINC001592019278 1016623386 /nfs/dbraw/zinc/62/33/86/1016623386.db2.gz IYCORDWNJUNIAV-UHFFFAOYSA-N -1 0 302.254 -0.641 20 0 DBADRM CN(C)c1nccc2c1CN(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC001434418056 1002462907 /nfs/dbraw/zinc/46/29/07/1002462907.db2.gz QQNZCFAIJXPPGK-UHFFFAOYSA-N -1 0 318.337 -0.265 20 0 DBADRM Cc1cc(F)cc(C(=O)NC[C@@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001425811096 1002464197 /nfs/dbraw/zinc/46/41/97/1002464197.db2.gz KUEIQHHYWITJTF-NSHDSACASA-N -1 0 323.328 -0.162 20 0 DBADRM Cc1cc(NC(=O)COc2cnc(-c3nnn[n-]3)nc2)n(C)n1 ZINC001592017816 1016624618 /nfs/dbraw/zinc/62/46/18/1016624618.db2.gz HCSXUYOSXAUULS-UHFFFAOYSA-N -1 0 315.297 -0.284 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001434432314 1002469941 /nfs/dbraw/zinc/46/99/41/1002469941.db2.gz VVACFWLGQGLIBE-DTWKUNHWSA-N -1 0 301.306 -0.069 20 0 DBADRM Nc1nc2nc(CN3CCOC[C@H]3[C@@H]3CCCO3)cc(=O)n2[n-]1 ZINC001434468333 1002484358 /nfs/dbraw/zinc/48/43/58/1002484358.db2.gz BNLSXZHFITZLTR-QWRGUYRKSA-N -1 0 320.353 -0.620 20 0 DBADRM Cc1ccc(N(C)C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)nn1 ZINC001592175117 1016631375 /nfs/dbraw/zinc/63/13/75/1016631375.db2.gz HPFVATPIERHWDA-MRVPVSSYSA-N -1 0 314.313 -0.219 20 0 DBADRM CC[C@](C)([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)OC ZINC001434549619 1002519652 /nfs/dbraw/zinc/51/96/52/1002519652.db2.gz OXPDFVWNMVYHRM-NIVTXAMTSA-N -1 0 315.417 -0.263 20 0 DBADRM CC(C)n1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001592122616 1016633010 /nfs/dbraw/zinc/63/30/10/1016633010.db2.gz SOSSCJYNOYZMQC-UWVGGRQHSA-N -1 0 321.337 -0.480 20 0 DBADRM CC(C)n1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001592122618 1016633151 /nfs/dbraw/zinc/63/31/51/1016633151.db2.gz SOSSCJYNOYZMQC-ZJUUUORDSA-N -1 0 321.337 -0.480 20 0 DBADRM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)c1cn[nH]n1 ZINC001414749790 1002529903 /nfs/dbraw/zinc/52/99/03/1002529903.db2.gz IYYLNCSPTDWYRI-JOYOIKCWSA-N -1 0 322.369 -0.560 20 0 DBADRM C[C@H](/C=C/C(=O)[O-])NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC001592193065 1016634632 /nfs/dbraw/zinc/63/46/32/1016634632.db2.gz PTFKGZNRHVGPGM-OKWQPMOJSA-N -1 0 304.368 -0.749 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)CC1(n2cnnn2)CCOCC1 ZINC001592192096 1016634764 /nfs/dbraw/zinc/63/47/64/1016634764.db2.gz LRQVSBCIEFQDKB-ZMWSMAPVSA-N -1 0 309.326 -0.286 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)NCc1ccc(=O)[nH]n1 ZINC001434571574 1002535056 /nfs/dbraw/zinc/53/50/56/1002535056.db2.gz CPJDGWBAHMZBHZ-GOSISDBHSA-N -1 0 309.373 -0.909 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC001592205585 1016635287 /nfs/dbraw/zinc/63/52/87/1016635287.db2.gz PVCPAXUEKRLNIL-KNQJERJVSA-N -1 0 303.274 -0.025 20 0 DBADRM C[C@@H](/C=C/C(=O)[O-])NS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC001592210188 1016635556 /nfs/dbraw/zinc/63/55/56/1016635556.db2.gz BIVIRZBKBUFVGO-NOKZVFQSSA-N -1 0 323.334 -0.030 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)NCc2nc(=O)o[n-]2)C1 ZINC001434574748 1002539905 /nfs/dbraw/zinc/53/99/05/1002539905.db2.gz XKHVLHZBUHBHDL-RQJHMYQMSA-N -1 0 305.312 -0.876 20 0 DBADRM CC(C)C(=O)N1CC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001414786782 1002549678 /nfs/dbraw/zinc/54/96/78/1002549678.db2.gz LWEGBODRESNJID-SECBINFHSA-N -1 0 323.353 -0.412 20 0 DBADRM Cc1ccn(CC(=O)N2CCO[C@H](C)C2)c(=O)c1-c1nnn[n-]1 ZINC001592265452 1016637429 /nfs/dbraw/zinc/63/74/29/1016637429.db2.gz ZTMCICYJJVJPMV-SNVBAGLBSA-N -1 0 318.337 -0.416 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCNC2=O)oc1Cl ZINC001434589040 1002550855 /nfs/dbraw/zinc/55/08/55/1002550855.db2.gz IVDBIFXAZQATEN-LURJTMIESA-N -1 0 322.726 -0.114 20 0 DBADRM C[C@H](CC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-])c1cnn(C)c1 ZINC001592226747 1016637683 /nfs/dbraw/zinc/63/76/83/1016637683.db2.gz IAIRZSAXUXUVIM-MWLCHTKSSA-N -1 0 308.338 -0.333 20 0 DBADRM O=S(=O)(c1ncc[n-]1)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001434613516 1002555006 /nfs/dbraw/zinc/55/50/06/1002555006.db2.gz RXVPVMDKYZVEKY-DTWKUNHWSA-N -1 0 305.381 -0.535 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)Cc1noc(C)n1 ZINC001434616276 1002556167 /nfs/dbraw/zinc/55/61/67/1002556167.db2.gz OHPZGQMBYKUXSS-QMMMGPOBSA-N -1 0 307.328 -0.624 20 0 DBADRM O=C1Nc2ccccc2[C@@]1(O)CCNS(=O)(=O)c1ncc[n-]1 ZINC001434632768 1002558539 /nfs/dbraw/zinc/55/85/39/1002558539.db2.gz DQMIPCWFKARIJN-ZDUSSCGKSA-N -1 0 322.346 -0.082 20 0 DBADRM C[C@H](CC(=O)NCCN(C)c1ncc(C(=O)[O-])cn1)NC(N)=O ZINC001592255035 1016638522 /nfs/dbraw/zinc/63/85/22/1016638522.db2.gz WIMLOVYSMLINGZ-MRVPVSSYSA-N -1 0 324.341 -0.826 20 0 DBADRM CCCC(=O)NC[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C1CC1 ZINC001414817456 1002560539 /nfs/dbraw/zinc/56/05/39/1002560539.db2.gz NQVQUJMWLCEVNP-LLVKDONJSA-N -1 0 322.365 -0.089 20 0 DBADRM CC(=O)NC[C@H](NC(=O)c1c[n-]n2c1nccc2=O)C1CC1 ZINC001414823512 1002560759 /nfs/dbraw/zinc/56/07/59/1002560759.db2.gz OFVVIQGRTJLNLX-NSHDSACASA-N -1 0 303.322 -0.333 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1nc2ncc(CCO)cn2n1 ZINC001592218677 1016639206 /nfs/dbraw/zinc/63/92/06/1016639206.db2.gz QIPHRIBGOJPUPP-KZUAUGPASA-N -1 0 305.294 -0.582 20 0 DBADRM C[C@](Cn1cccn1)(NS(=O)(=O)c1ccccc1[O-])C(N)=O ZINC001434651735 1002564476 /nfs/dbraw/zinc/56/44/76/1002564476.db2.gz XRPCFSHLDAJXOY-CYBMUJFWSA-N -1 0 324.362 -0.189 20 0 DBADRM C[C@H](CC(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001592255154 1016639307 /nfs/dbraw/zinc/63/93/07/1016639307.db2.gz ZMBMXLHWCWMEGC-KOLCDFICSA-N -1 0 322.365 -0.078 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)[N-]c1n[nH]cc1-c1nn[nH]n1 ZINC001592302438 1016640743 /nfs/dbraw/zinc/64/07/43/1016640743.db2.gz IBTZTZKUVPBSBV-UHFFFAOYSA-N -1 0 309.315 -0.567 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1cccc(OCC(N)=O)c1 ZINC001434730219 1002580057 /nfs/dbraw/zinc/58/00/57/1002580057.db2.gz RMDHDYIQPQAPBJ-UHFFFAOYSA-N -1 0 319.325 -0.699 20 0 DBADRM CC(C)C(=O)N[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001414873738 1002580298 /nfs/dbraw/zinc/58/02/98/1002580298.db2.gz JERWVXOEYVCGOS-VIFPVBQESA-N -1 0 311.342 -0.644 20 0 DBADRM Cc1cnc(COC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)nc1 ZINC001592293596 1016642382 /nfs/dbraw/zinc/64/23/82/1016642382.db2.gz AHRJWLUULWDZGC-MRVPVSSYSA-N -1 0 315.297 -0.139 20 0 DBADRM Cc1cn(C)nc1Cn1c(=O)c(-c2nnn[n-]2)c(C)n(C)c1=O ZINC001592287241 1016642890 /nfs/dbraw/zinc/64/28/90/1016642890.db2.gz BPGYKNVNDJNEHZ-UHFFFAOYSA-N -1 0 316.325 -0.874 20 0 DBADRM Cc1ccnc(Cn2c(=O)c(-c3nnn[n-]3)c(C)n(C)c2=O)n1 ZINC001592271761 1016643433 /nfs/dbraw/zinc/64/34/33/1016643433.db2.gz MMRSTWZPSGIOMT-UHFFFAOYSA-N -1 0 314.309 -0.818 20 0 DBADRM Cc1n[nH]c(C(=O)NCc2nc(-c3nn[nH]n3)cs2)c1[O-] ZINC001592324848 1016646726 /nfs/dbraw/zinc/64/67/26/1016646726.db2.gz WCCLZGSUHMPTMZ-UHFFFAOYSA-N -1 0 306.311 -0.010 20 0 DBADRM COCC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001414983232 1002619504 /nfs/dbraw/zinc/61/95/04/1002619504.db2.gz JZVVRSZXDPBDFK-OCAPTIKFSA-N -1 0 320.305 -0.048 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001434817666 1002624642 /nfs/dbraw/zinc/62/46/42/1002624642.db2.gz QBBADNMMCQJJOF-IVZWLZJFSA-N -1 0 311.342 -0.187 20 0 DBADRM C[C@@]1(NC(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)CCOC1=O ZINC001434841701 1002643857 /nfs/dbraw/zinc/64/38/57/1002643857.db2.gz VFACWAPCYUFAGO-YMTOWFKASA-N -1 0 321.337 -0.234 20 0 DBADRM Cn1[nH]c(CN2CCN(C(=O)c3cccc(=O)[nH]3)CC2)nc1=O ZINC001415111733 1002671645 /nfs/dbraw/zinc/67/16/45/1002671645.db2.gz BFSXXOZNIANKAO-UHFFFAOYSA-N -1 0 318.337 -0.833 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1C ZINC001415115328 1002675387 /nfs/dbraw/zinc/67/53/87/1002675387.db2.gz MOGUECPSORKROY-UHFFFAOYSA-N -1 0 305.342 -0.192 20 0 DBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)CN(C)C(=O)CC(C)(F)F ZINC001426084818 1002681073 /nfs/dbraw/zinc/68/10/73/1002681073.db2.gz RAZVYAYRCDYJTL-MRVPVSSYSA-N -1 0 321.328 -0.193 20 0 DBADRM Cc1nc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)[nH]c1C ZINC001592362490 1016655591 /nfs/dbraw/zinc/65/55/91/1016655591.db2.gz WKMXXJOGPTVOEM-UHFFFAOYSA-N -1 0 302.302 -0.885 20 0 DBADRM Cc1n[nH]nc1C(=O)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(C)C ZINC001426119009 1002696457 /nfs/dbraw/zinc/69/64/57/1002696457.db2.gz LVTCPRCHBZOVJK-UHFFFAOYSA-N -1 0 322.373 -0.081 20 0 DBADRM C[C@H](CNC(=O)[C@H]1CC1(C)C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415149084 1002701434 /nfs/dbraw/zinc/70/14/34/1002701434.db2.gz SDJDUBVKLWFUPV-HTQZYQBOSA-N -1 0 311.342 -0.644 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CS(=O)(=O)C2CC2)CC1 ZINC001592410466 1016659400 /nfs/dbraw/zinc/65/94/00/1016659400.db2.gz HHQQLXAHDYDWCA-JTQLQIEISA-N -1 0 318.395 -0.429 20 0 DBADRM CC[C@@H](F)C(=O)N[C@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001495614778 1016659742 /nfs/dbraw/zinc/65/97/42/1016659742.db2.gz DWHXNPZJRKBCRW-RNFRBKRXSA-N -1 0 315.305 -0.345 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC001592403269 1016659940 /nfs/dbraw/zinc/65/99/40/1016659940.db2.gz VIGPOWZITPEWFE-SNVBAGLBSA-N -1 0 314.338 -0.231 20 0 DBADRM Cc1nc([N-]S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)nn1C ZINC001592393642 1016660563 /nfs/dbraw/zinc/66/05/63/1016660563.db2.gz AWQGWACENFVVBL-UHFFFAOYSA-N -1 0 321.326 -0.501 20 0 DBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2nc3ncccn3n2)CC1 ZINC001592418944 1016663327 /nfs/dbraw/zinc/66/33/27/1016663327.db2.gz ZDYAHRYNJNHSAE-JTQLQIEISA-N -1 0 318.337 -0.255 20 0 DBADRM Cc1ncc(S(=O)(=O)N(C)CC(=O)[O-])cc1-c1nn[nH]n1 ZINC001592412175 1016665022 /nfs/dbraw/zinc/66/50/22/1016665022.db2.gz QGIQMMVBZIKOAH-UHFFFAOYSA-N -1 0 312.311 -0.725 20 0 DBADRM Cc1nn(C)c(C)c1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001592430627 1016665699 /nfs/dbraw/zinc/66/56/99/1016665699.db2.gz SCDQWQBADXXDFJ-UHFFFAOYSA-N -1 0 317.313 -0.240 20 0 DBADRM C[C@@H](C(=O)N[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001415226649 1002756600 /nfs/dbraw/zinc/75/66/00/1002756600.db2.gz VPQOUALMOXDKSJ-NKWVEPMBSA-N -1 0 309.326 -0.437 20 0 DBADRM Cc1nn(CC(=O)NCC2CC2)c(=O)c(-c2nnn[n-]2)c1C ZINC001592438895 1016667785 /nfs/dbraw/zinc/66/77/85/1016667785.db2.gz TZYMUPNRTRMFMY-UHFFFAOYSA-N -1 0 303.326 -0.434 20 0 DBADRM Cc1nnc(N(C)Cc2nc(=O)o[n-]2)c(-c2nn[nH]n2)c1C ZINC001592444355 1016669629 /nfs/dbraw/zinc/66/96/29/1016669629.db2.gz SJHHMYPBSVKURH-UHFFFAOYSA-N -1 0 303.286 -0.414 20 0 DBADRM Cc1nnc2ccc(NCCn3cnc(-c4nnn[n-]4)n3)nn12 ZINC001592450812 1016669673 /nfs/dbraw/zinc/66/96/73/1016669673.db2.gz ZHDFTLMOLGSACN-UHFFFAOYSA-N -1 0 312.301 -0.684 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001592451517 1016672206 /nfs/dbraw/zinc/67/22/06/1016672206.db2.gz DWBHNLCSTLMWMU-WPRPVWTQSA-N -1 0 321.337 -0.619 20 0 DBADRM Cc1noc(COC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n1 ZINC001592462740 1016672494 /nfs/dbraw/zinc/67/24/94/1016672494.db2.gz UJNZCCUFWVLVGV-RXMQYKEDSA-N -1 0 305.258 -0.546 20 0 DBADRM COC[C@H](OC)C(=O)NC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001415260444 1002787164 /nfs/dbraw/zinc/78/71/64/1002787164.db2.gz QJPPZSWJDHLHMA-CBAPKCEASA-N -1 0 314.342 -0.680 20 0 DBADRM C[C@H](C[C@H](C)Nc1ccnc(C(=O)[O-])n1)NC(=O)c1cnon1 ZINC001592454627 1016675139 /nfs/dbraw/zinc/67/51/39/1016675139.db2.gz YCKBNFMAQBNXGS-JGVFFNPUSA-N -1 0 320.309 -0.011 20 0 DBADRM C[C@@H](CCCCNc1ncc(C(=O)[O-])cn1)NC(=O)C(N)=O ZINC001592484717 1016675394 /nfs/dbraw/zinc/67/53/94/1016675394.db2.gz FOIOJGGHJRIBKU-QMMMGPOBSA-N -1 0 309.326 -0.253 20 0 DBADRM C[C@](CCF)(NC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)[O-] ZINC001592494922 1016676450 /nfs/dbraw/zinc/67/64/50/1016676450.db2.gz FCDONACPCWBYSK-GFCCVEGCSA-N -1 0 301.274 -0.754 20 0 DBADRM C[C@@H](NC(=O)c1cn[nH]n1)[C@H](C)NC(=O)c1ccc(=O)[nH]c1 ZINC001426491788 1002809716 /nfs/dbraw/zinc/80/97/16/1002809716.db2.gz VTXYJQAXHZSLCI-JGVFFNPUSA-N -1 0 304.310 -0.158 20 0 DBADRM C[C@H](CCNC(=O)[C@@H]1CCC(=O)N1)Nc1ccnc(C(=O)[O-])n1 ZINC001592520811 1016684550 /nfs/dbraw/zinc/68/45/50/1016684550.db2.gz JOHVDVFEDGWTKW-BDAKNGLRSA-N -1 0 321.337 -0.818 20 0 DBADRM C[C@](CCF)(NC(=O)CNC(=O)c1ncccc1O)C(=O)[O-] ZINC001592495129 1016679002 /nfs/dbraw/zinc/67/90/02/1016679002.db2.gz HKQAJQARIYPGIY-CYBMUJFWSA-N -1 0 313.285 -0.164 20 0 DBADRM C[C@H](CCNC(=O)[C@@H]1COCCO1)Nc1ccnc(C(=O)[O-])n1 ZINC001592513974 1016680549 /nfs/dbraw/zinc/68/05/49/1016680549.db2.gz WGPHCMMDTYCNQK-ZJUUUORDSA-N -1 0 324.337 -0.681 20 0 DBADRM C[C@H](CCNC(=O)Cn1cccc(C(=O)[O-])c1=O)[S@](C)=O ZINC001592512903 1016680723 /nfs/dbraw/zinc/68/07/23/1016680723.db2.gz JCZQZCZRVMJORR-BTKVJGODSA-N -1 0 314.363 -0.180 20 0 DBADRM C[C@@H](CCNC(=O)[C@@H](C)CC(N)=O)Nc1ccnc(C(=O)[O-])n1 ZINC001592512941 1016680854 /nfs/dbraw/zinc/68/08/54/1016680854.db2.gz KFIIGBHLHPPYRL-IUCAKERBSA-N -1 0 323.353 -0.585 20 0 DBADRM Cc1ocnc1C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001592514691 1016681285 /nfs/dbraw/zinc/68/12/85/1016681285.db2.gz UJHKKRMHZCLDSI-UHFFFAOYSA-N -1 0 315.297 -0.783 20 0 DBADRM O=C(Cc1c[nH]cn1)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001437036103 1002844872 /nfs/dbraw/zinc/84/48/72/1002844872.db2.gz HSTPZVRLGJSCAT-LLVKDONJSA-N -1 0 319.369 -0.053 20 0 DBADRM C[C@@](CCF)(NS(=O)(=O)CCN1CCOC1=O)C(=O)[O-] ZINC001592507820 1016683117 /nfs/dbraw/zinc/68/31/17/1016683117.db2.gz OEOGUOFYOMIIMO-JTQLQIEISA-N -1 0 312.319 -0.439 20 0 DBADRM C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)[C@H]1CCC(=O)N1 ZINC001592530871 1016683985 /nfs/dbraw/zinc/68/39/85/1016683985.db2.gz MAXPIEJBTCCBCY-DTWKUNHWSA-N -1 0 321.337 -0.818 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)Cc1ncc[nH]1 ZINC001592530096 1016684391 /nfs/dbraw/zinc/68/43/91/1016684391.db2.gz FCOPBWNHPQUYON-SECBINFHSA-N -1 0 318.337 -0.131 20 0 DBADRM CCn1ncc(CN[C@@H](C)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001437129730 1002862657 /nfs/dbraw/zinc/86/26/57/1002862657.db2.gz UBNFDPFQEMIGMQ-QMMMGPOBSA-N -1 0 307.358 -0.057 20 0 DBADRM C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)c1cnnn1C ZINC001592530984 1016686571 /nfs/dbraw/zinc/68/65/71/1016686571.db2.gz PGUWQPRAVLAGRC-MRVPVSSYSA-N -1 0 319.325 -0.654 20 0 DBADRM CC(C)C(=O)N(C)C[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001426730763 1002878933 /nfs/dbraw/zinc/87/89/33/1002878933.db2.gz VRJQLWPLPSWWDY-SECBINFHSA-N -1 0 311.342 -0.595 20 0 DBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C(=O)C1CCC1 ZINC001426759165 1002885230 /nfs/dbraw/zinc/88/52/30/1002885230.db2.gz BYTGFRHDOVYTGF-QMMMGPOBSA-N -1 0 311.342 -0.548 20 0 DBADRM C[C@@H](CCO)CCNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001592531019 1016688056 /nfs/dbraw/zinc/68/80/56/1016688056.db2.gz QELQJWUFMVMGCF-UTLUCORTSA-N -1 0 303.359 -0.328 20 0 DBADRM CC(C)[C@H](F)C(=O)NCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001415583076 1002890676 /nfs/dbraw/zinc/89/06/76/1002890676.db2.gz VUCWBFWXUBYZRO-VIFPVBQESA-N -1 0 317.321 -0.742 20 0 DBADRM Cn1c(=O)[nH]c(NCc2ncccn2)c(-c2nnn[n-]2)c1=O ZINC001592545138 1016688844 /nfs/dbraw/zinc/68/88/44/1016688844.db2.gz MWVJSJAFPWPDIF-UHFFFAOYSA-N -1 0 301.270 -0.932 20 0 DBADRM Cn1c(=O)[nH]c(N2CCCC3(CC3)C2)c(-c2nnn[n-]2)c1=O ZINC001592543319 1016689104 /nfs/dbraw/zinc/68/91/04/1016689104.db2.gz IIGFAMXKQGDDBR-UHFFFAOYSA-N -1 0 303.326 -0.366 20 0 DBADRM Cn1c(=O)[nH]c(S[C@@H]2CCCOC2)c(-c2nnn[n-]2)c1=O ZINC001592545218 1016689593 /nfs/dbraw/zinc/68/95/93/1016689593.db2.gz PODMDCHDQCHYRS-ZCFIWIBFSA-N -1 0 310.339 -0.475 20 0 DBADRM Cn1c(=O)[nH]c(SC[C@H]2CCCO2)c(-c2nnn[n-]2)c1=O ZINC001592544975 1016690001 /nfs/dbraw/zinc/69/00/01/1016690001.db2.gz GKWDKSCPEBMLHL-ZCFIWIBFSA-N -1 0 310.339 -0.475 20 0 DBADRM Cn1c(C(=O)[N-]S(=O)(=O)C2(C)CC2)ccc1-c1nn[nH]n1 ZINC001592549556 1016691492 /nfs/dbraw/zinc/69/14/92/1016691492.db2.gz HSIACJRZPSNMEG-UHFFFAOYSA-N -1 0 310.339 -0.183 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2C[C@@H]3CCC[C@H]23)n(C)c1=O ZINC001592555917 1016696001 /nfs/dbraw/zinc/69/60/01/1016696001.db2.gz UFUMEYHMEGPQPX-XHNCKOQMSA-N -1 0 317.353 -0.135 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2cc(C3CC3)no2)c1=O ZINC001592558135 1016697018 /nfs/dbraw/zinc/69/70/18/1016697018.db2.gz PUNWEAVDNUPAOU-UHFFFAOYSA-N -1 0 315.293 -0.359 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@@](C)(O)C(F)(F)F)c1=O ZINC001592557648 1016697033 /nfs/dbraw/zinc/69/70/33/1016697033.db2.gz AJLRVLJFJGAPOK-SECBINFHSA-N -1 0 320.231 -0.960 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@H]2CCCCO2)n(C)c1=O ZINC001592555957 1016697972 /nfs/dbraw/zinc/69/79/72/1016697972.db2.gz ZKARLCGRALCYPN-QMMMGPOBSA-N -1 0 321.341 -0.755 20 0 DBADRM Cn1cc(C(=O)C(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)cn1 ZINC001592563256 1016699896 /nfs/dbraw/zinc/69/98/96/1016699896.db2.gz WWDWAKAHHVMOQX-UHFFFAOYSA-N -1 0 313.277 -0.107 20 0 DBADRM Cn1cc(C=CC(=O)NCCn2cnc(-c3nnn[n-]3)n2)cn1 ZINC001592567063 1016704800 /nfs/dbraw/zinc/70/48/00/1016704800.db2.gz PJIOBDDPNLPVEP-IHWYPQMZSA-N -1 0 314.313 -0.979 20 0 DBADRM CCC(=O)N[C@@H](C)C1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001427006049 1002990355 /nfs/dbraw/zinc/99/03/55/1002990355.db2.gz BUQZYNDNRFSENT-QMMMGPOBSA-N -1 0 323.353 -0.412 20 0 DBADRM C[C@@H](CN(C)C(=O)CCc1nc(-c2nc[nH]n2)no1)C(=O)[O-] ZINC001592568100 1016706425 /nfs/dbraw/zinc/70/64/25/1016706425.db2.gz JIENCDTZZHEGEK-ZETCQYMHSA-N -1 0 308.298 -0.034 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@]12C[C@H]1COC2)Nc1ccnc(C(=O)[O-])n1 ZINC001592574477 1016706555 /nfs/dbraw/zinc/70/65/55/1016706555.db2.gz UJBMWJQOJPQHDS-YHAQOWFVSA-N -1 0 320.349 -0.108 20 0 DBADRM Cn1cc(C[NH2+]CCn2cnc(-c3nnn[n-]3)n2)c(Cl)n1 ZINC001592572012 1016706740 /nfs/dbraw/zinc/70/67/40/1016706740.db2.gz OIHBKHJMABALOQ-UHFFFAOYSA-N -1 0 308.737 -0.365 20 0 DBADRM C[C@@H](CN(C)C(=O)c1ncccn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592579709 1016708928 /nfs/dbraw/zinc/70/89/28/1016708928.db2.gz YHNQPGGDTQSQFC-VIFPVBQESA-N -1 0 316.321 -0.041 20 0 DBADRM C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001592575397 1016709294 /nfs/dbraw/zinc/70/92/94/1016709294.db2.gz ILBKVIJEIBOQND-WPRPVWTQSA-N -1 0 321.337 -0.288 20 0 DBADRM C[C@H](CN(C)C(=O)c1ncccn1)Nc1ccnc(C(=O)[O-])n1 ZINC001592579707 1016709857 /nfs/dbraw/zinc/70/98/57/1016709857.db2.gz YHNQPGGDTQSQFC-SECBINFHSA-N -1 0 316.321 -0.041 20 0 DBADRM C[C@H](CN(C)C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001592578794 1016710541 /nfs/dbraw/zinc/71/05/41/1016710541.db2.gz GEAUXUJGJINKFB-SFYZADRCSA-N -1 0 311.298 -0.821 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCN(Cc3cnnn3C)CC2)c1[O-] ZINC001415825389 1003022275 /nfs/dbraw/zinc/02/22/75/1003022275.db2.gz NLQUHBKMSRRAJY-UHFFFAOYSA-N -1 0 305.342 -0.490 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001592578796 1016710754 /nfs/dbraw/zinc/71/07/54/1016710754.db2.gz GEAUXUJGJINKFB-YUMQZZPRSA-N -1 0 311.298 -0.821 20 0 DBADRM Cc1ccc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)nn1 ZINC001415835837 1003025391 /nfs/dbraw/zinc/02/53/91/1003025391.db2.gz WOYLHPCYPKWECC-UHFFFAOYSA-N -1 0 303.326 -0.433 20 0 DBADRM Cn1cccc1C(=O)NCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001592581237 1016712098 /nfs/dbraw/zinc/71/20/98/1016712098.db2.gz VGVIAWOZJNEGGY-UHFFFAOYSA-N -1 0 313.325 -0.741 20 0 DBADRM C[C@H](CN(C)C(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC001592579990 1016712499 /nfs/dbraw/zinc/71/24/99/1016712499.db2.gz VJKOCVYQVBVNGF-SSDOTTSWSA-N -1 0 301.324 -0.478 20 0 DBADRM C[C@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)c1cn(C)nn1 ZINC001592593394 1016713426 /nfs/dbraw/zinc/71/34/26/1016713426.db2.gz FFDQNGNWTMVBHM-MRVPVSSYSA-N -1 0 319.325 -0.442 20 0 DBADRM CC(=O)N1C[C@@H]2[C@@H](CNC(=O)CCc3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001427158816 1003042156 /nfs/dbraw/zinc/04/21/56/1003042156.db2.gz NCXAKLQYPCWUFG-OWUUHHOZSA-N -1 0 321.337 -0.944 20 0 DBADRM C[C@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)c1cnon1 ZINC001592593066 1016715446 /nfs/dbraw/zinc/71/54/46/1016715446.db2.gz CJSNJJXUHNONNB-SSDOTTSWSA-N -1 0 306.282 -0.188 20 0 DBADRM CCn1ncc(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)c1C ZINC001437539134 1003056290 /nfs/dbraw/zinc/05/62/90/1003056290.db2.gz OFYNMAHDTRJRTE-UHFFFAOYSA-N -1 0 307.358 -0.103 20 0 DBADRM CCn1cc(CC(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001437544405 1003060050 /nfs/dbraw/zinc/06/00/50/1003060050.db2.gz UERBHSIAKNLHNV-UHFFFAOYSA-N -1 0 307.358 -0.483 20 0 DBADRM CO[C@@H](C)C(=O)NC1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001415977095 1003062535 /nfs/dbraw/zinc/06/25/35/1003062535.db2.gz XUHDJNWZVLTWQS-ZETCQYMHSA-N -1 0 320.305 -0.096 20 0 DBADRM CCN(CCNC(=O)c1ccc(=O)n(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001437603688 1003087568 /nfs/dbraw/zinc/08/75/68/1003087568.db2.gz PUGJCSKTSHIVRH-UHFFFAOYSA-N -1 0 320.353 -0.539 20 0 DBADRM C[C@@H](CN1CCOCC1)C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001592623342 1016730415 /nfs/dbraw/zinc/73/04/15/1016730415.db2.gz HBHQLYPDNQSOTM-WFASDCNBSA-N -1 0 324.381 -0.189 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)C(F)F)C1 ZINC001416016564 1003093532 /nfs/dbraw/zinc/09/35/32/1003093532.db2.gz ZXESNVSHSRNVHY-UHFFFAOYSA-N -1 0 319.268 -0.938 20 0 DBADRM C[C@@H](CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1)CS(C)(=O)=O ZINC001592610154 1016724770 /nfs/dbraw/zinc/72/47/70/1016724770.db2.gz DOWHUQYNVCNVOY-UWVGGRQHSA-N -1 0 316.383 -0.096 20 0 DBADRM C[C@H](CN(C)C(=O)c1ccco1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001427443856 1003124694 /nfs/dbraw/zinc/12/46/94/1003124694.db2.gz VZXCEVATHCYJTI-MRVPVSSYSA-N -1 0 323.309 -0.441 20 0 DBADRM Cn1nncc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC001592613118 1016730655 /nfs/dbraw/zinc/73/06/55/1016730655.db2.gz KROVUGSDXIPXQT-UHFFFAOYSA-N -1 0 324.301 -0.065 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)NC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001416062090 1003135811 /nfs/dbraw/zinc/13/58/11/1003135811.db2.gz KVKLMSJQJQECIO-JTQLQIEISA-N -1 0 323.353 -0.721 20 0 DBADRM C[C@H](CNC(=O)Cc1nc[nH]n1)N(C)c1ccnc(C(=O)[O-])n1 ZINC001592655663 1016738634 /nfs/dbraw/zinc/73/86/34/1016738634.db2.gz VEUPJGGXJXRYCB-MRVPVSSYSA-N -1 0 319.325 -0.524 20 0 DBADRM C[C@@H](CN(C)C(=O)C(F)F)NC(=O)c1cnc([O-])n(C)c1=O ZINC001427495923 1003156350 /nfs/dbraw/zinc/15/63/50/1003156350.db2.gz BMMAFLOBEVEOGY-LURJTMIESA-N -1 0 318.280 -0.672 20 0 DBADRM O=C(CC1CCC1)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001416082149 1003163279 /nfs/dbraw/zinc/16/32/79/1003163279.db2.gz UEBJKCAEWVFYLI-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM C[C@H](CNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)c1ccccc1 ZINC001592625473 1016732448 /nfs/dbraw/zinc/73/24/48/1016732448.db2.gz SYPFBSMPEXNTMK-SNVBAGLBSA-N -1 0 306.318 -0.436 20 0 DBADRM C[C@H](CNC(=O)C1(C(N)=O)CC1)Nc1ncc(C(=O)[O-])cn1 ZINC001592640482 1016734239 /nfs/dbraw/zinc/73/42/39/1016734239.db2.gz IVERYTKLPORJCW-SSDOTTSWSA-N -1 0 307.310 -0.643 20 0 DBADRM C[C@H](CNC(=O)CCCC(N)=O)N(C)c1ccnc(C(=O)[O-])n1 ZINC001592645501 1016734244 /nfs/dbraw/zinc/73/42/44/1016734244.db2.gz IOKRANSKAPMTGX-SECBINFHSA-N -1 0 323.353 -0.229 20 0 DBADRM C[C@H](CNC(=O)[C@@H](C)CC(N)=O)CNc1ccnc(C(=O)[O-])n1 ZINC001592636300 1016734325 /nfs/dbraw/zinc/73/43/25/1016734325.db2.gz OWIAAHJWQREFBM-IUCAKERBSA-N -1 0 323.353 -0.728 20 0 DBADRM C[C@H](CNC(=O)C(=O)NCC1CC1)Nc1ncc(C(=O)[O-])cn1 ZINC001592630401 1016734900 /nfs/dbraw/zinc/73/49/00/1016734900.db2.gz QICLZKSETABIFG-MRVPVSSYSA-N -1 0 321.337 -0.382 20 0 DBADRM C[C@@H](CNC(=O)Cn1ccnc1)CNc1ccnc(C(=O)[O-])n1 ZINC001592653795 1016736265 /nfs/dbraw/zinc/73/62/65/1016736265.db2.gz AMIMXXQEDNLPNP-SNVBAGLBSA-N -1 0 318.337 -0.342 20 0 DBADRM C[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1)C(=O)[O-] ZINC001592660707 1016736489 /nfs/dbraw/zinc/73/64/89/1016736489.db2.gz UNIBVQQHPILSDI-SECBINFHSA-N -1 0 301.343 -0.103 20 0 DBADRM C[C@H](CNC(=O)CS(C)(=O)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001592653647 1016737357 /nfs/dbraw/zinc/73/73/57/1016737357.db2.gz JZGJLZNRKBQUOH-SSDOTTSWSA-N -1 0 316.339 -0.864 20 0 DBADRM C[C@@H](CNC(=O)N1CCSC[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC001592663661 1016738114 /nfs/dbraw/zinc/73/81/14/1016738114.db2.gz GWEQYRUEEIKLKZ-IUCAKERBSA-N -1 0 324.424 -0.121 20 0 DBADRM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001592654118 1016738236 /nfs/dbraw/zinc/73/82/36/1016738236.db2.gz SCOMBJFFWTUMIO-VHSXEESVSA-N -1 0 324.337 -0.681 20 0 DBADRM C[C@@H](CNC(=O)CO[C@H]1CCOC1)Nc1ncc(C(=O)[O-])cn1 ZINC001592653519 1016738336 /nfs/dbraw/zinc/73/83/36/1016738336.db2.gz GNUUHPOTQLUROR-ONGXEEELSA-N -1 0 324.337 -0.103 20 0 DBADRM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1ccnc(C(=O)[O-])n1 ZINC001592688781 1016745115 /nfs/dbraw/zinc/74/51/15/1016745115.db2.gz NFSUSZASAWIBQX-RKDXNWHRSA-N -1 0 321.337 -0.961 20 0 DBADRM CCCN(C(=O)c1n[nH]c(C)c1[O-])[C@@H]1CCN(CC(N)=O)C1 ZINC001437893440 1003278475 /nfs/dbraw/zinc/27/84/75/1003278475.db2.gz SQUNORZUQAEDKD-SNVBAGLBSA-N -1 0 309.370 -0.164 20 0 DBADRM C[C@H](CNC(=O)c1cncn1C)CNc1ccnc(C(=O)[O-])n1 ZINC001592705209 1016752228 /nfs/dbraw/zinc/75/22/28/1016752228.db2.gz BGTHQNXMAOJPOM-VIFPVBQESA-N -1 0 318.337 -0.192 20 0 DBADRM C[C@H](CNC(=O)c1cnn(C)n1)CNc1ccnc(C(=O)[O-])n1 ZINC001592706675 1016753842 /nfs/dbraw/zinc/75/38/42/1016753842.db2.gz UPGLUUBXARYBFB-QMMMGPOBSA-N -1 0 319.325 -0.797 20 0 DBADRM O=C(CCc1ccon1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438130938 1003355393 /nfs/dbraw/zinc/35/53/93/1003355393.db2.gz NRRPPHWDDWWWFG-UHFFFAOYSA-N -1 0 306.326 -0.321 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N(C)CCN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001416632646 1003363975 /nfs/dbraw/zinc/36/39/75/1003363975.db2.gz KXZRCRVCHUZOJS-ZJUUUORDSA-N -1 0 322.365 -0.328 20 0 DBADRM O=C(CCCn1cccn1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438160814 1003364356 /nfs/dbraw/zinc/36/43/56/1003364356.db2.gz MDNSOBNPBSVCTR-UHFFFAOYSA-N -1 0 319.369 -0.265 20 0 DBADRM CCN(C(=O)CNC(C)=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001438253311 1003396659 /nfs/dbraw/zinc/39/66/59/1003396659.db2.gz SROHDDAABMNTSC-JTQLQIEISA-N -1 0 310.358 -0.931 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)CC2(C)CC2)c1[O-] ZINC001427883988 1003425772 /nfs/dbraw/zinc/42/57/72/1003425772.db2.gz GZRDLMGLDIURNX-SECBINFHSA-N -1 0 310.354 -0.179 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)CCCC(N)=O ZINC001592729299 1016770020 /nfs/dbraw/zinc/77/00/20/1016770020.db2.gz MEACUZGUHPAYMY-VIFPVBQESA-N -1 0 323.353 -0.489 20 0 DBADRM NC(=O)CCn1c(C(F)(F)F)ccc(-c2nnn[n-]2)c1=O ZINC001592728726 1016774126 /nfs/dbraw/zinc/77/41/26/1016774126.db2.gz VGPCBZKXQZVQDQ-UHFFFAOYSA-N -1 0 302.216 -0.077 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC2(C)C)c1[O-] ZINC001427932828 1003477867 /nfs/dbraw/zinc/47/78/67/1003477867.db2.gz XJVDZWWATUPLID-IUCAKERBSA-N -1 0 310.354 -0.323 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC2(C)C)c1[O-] ZINC001427932824 1003479425 /nfs/dbraw/zinc/47/94/25/1003479425.db2.gz XJVDZWWATUPLID-DTWKUNHWSA-N -1 0 310.354 -0.323 20 0 DBADRM CCn1nccc1S(=O)(=O)N[C@H](C(=O)[O-])c1ccn(C)n1 ZINC001597968472 1017219323 /nfs/dbraw/zinc/21/93/23/1017219323.db2.gz WCFATDVCECBQTQ-JTQLQIEISA-N -1 0 313.339 -0.259 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001592730031 1016776905 /nfs/dbraw/zinc/77/69/05/1016776905.db2.gz QPMKFJUMQXRIEO-IUCAKERBSA-N -1 0 321.337 -0.866 20 0 DBADRM NC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001592731533 1016777142 /nfs/dbraw/zinc/77/71/42/1016777142.db2.gz DAAJMCMKAUAPIV-MRVPVSSYSA-N -1 0 317.309 -0.545 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)c1ccncn1 ZINC001592729599 1016777377 /nfs/dbraw/zinc/77/73/77/1016777377.db2.gz NVGIENCBAHLNDV-SECBINFHSA-N -1 0 316.321 -0.041 20 0 DBADRM COCCC(=O)N[C@H](C)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001416775742 1003501650 /nfs/dbraw/zinc/50/16/50/1003501650.db2.gz IHJQYFVGRUKXEU-SECBINFHSA-N -1 0 321.337 -0.706 20 0 DBADRM NC(=O)c1ccc(C=CC(=O)Nc2c[nH]nc2-c2nnn[n-]2)o1 ZINC001592736057 1016782114 /nfs/dbraw/zinc/78/21/14/1016782114.db2.gz NXJQGWMKTHGENT-DUXPYHPUSA-N -1 0 314.265 -0.066 20 0 DBADRM C[C@@](CO)(NC(=O)CNC(=O)COc1ccccc1)C(=O)[O-] ZINC001592741309 1016784652 /nfs/dbraw/zinc/78/46/52/1016784652.db2.gz GLOMEQHWQASEMM-AWEZNQCLSA-N -1 0 310.306 -0.867 20 0 DBADRM C[C@@](CO)(NC(=O)CCCCCCS(N)(=O)=O)C(=O)[O-] ZINC001592743315 1016785714 /nfs/dbraw/zinc/78/57/14/1016785714.db2.gz UHJCGCGIPPHCSB-NSHDSACASA-N -1 0 310.372 -0.823 20 0 DBADRM C[C@@](CO)(NC(=O)CN1Cc2ccccc2OC1=O)C(=O)[O-] ZINC001592741020 1016786396 /nfs/dbraw/zinc/78/63/96/1016786396.db2.gz DDGWVNGVEZRAKQ-AWEZNQCLSA-N -1 0 308.290 -0.047 20 0 DBADRM C[C@@](CO)(NC(=O)c1ccc(S(N)(=O)=O)cc1F)C(=O)[O-] ZINC001592745448 1016789286 /nfs/dbraw/zinc/78/92/86/1016789286.db2.gz UMZUNFHENCYPQV-NSHDSACASA-N -1 0 320.298 -0.962 20 0 DBADRM C[C@](CO)(NS(=O)(=O)Cc1noc2c1CCCC2)C(=O)[O-] ZINC001592749114 1016791691 /nfs/dbraw/zinc/79/16/91/1016791691.db2.gz CXYUAQHKAVWXNH-GFCCVEGCSA-N -1 0 318.351 -0.192 20 0 DBADRM Cc1nc(CNC[C@@H](C)N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)co1 ZINC001438664399 1003580538 /nfs/dbraw/zinc/58/05/38/1003580538.db2.gz PTDITBVAWMYBQD-SSDOTTSWSA-N -1 0 322.325 -0.170 20 0 DBADRM C[C@](CO)(NCC(=O)NCc1ccc2c(c1)OCO2)C(=O)[O-] ZINC001592751164 1016793907 /nfs/dbraw/zinc/79/39/07/1016793907.db2.gz YHWSWMLEICQUDY-CQSZACIVSA-N -1 0 310.306 -0.543 20 0 DBADRM C[C@](CO)(NCC(=O)NC(=O)NC1CCCCC1)C(=O)[O-] ZINC001592750578 1016794084 /nfs/dbraw/zinc/79/40/84/1016794084.db2.gz SQUCWHINXNDCQK-CYBMUJFWSA-N -1 0 301.343 -0.430 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CC[C@H](OC(=O)N(C)C)C1)C(=O)[O-] ZINC001592799732 1016804439 /nfs/dbraw/zinc/80/44/39/1016804439.db2.gz ZKHIDZFRUYWKPP-IUCAKERBSA-N -1 0 308.356 -0.191 20 0 DBADRM C[C@](CO)(NS(=O)(=O)c1ccnn1C1CCC1)C(=O)[O-] ZINC001592755307 1016795436 /nfs/dbraw/zinc/79/54/36/1016795436.db2.gz DIBSFXYURWWISR-LLVKDONJSA-N -1 0 303.340 -0.278 20 0 DBADRM C[C@@H](CO)CCCNC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001592759085 1016795870 /nfs/dbraw/zinc/79/58/70/1016795870.db2.gz YIUQIZNCAUTODQ-VWYCJHECSA-N -1 0 316.354 -0.788 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@@H]2COCCO2)c1[O-] ZINC001416885077 1003620932 /nfs/dbraw/zinc/62/09/32/1003620932.db2.gz PQEANKRSRVHUAM-CBAPKCEASA-N -1 0 312.326 -0.926 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@H](OC(=O)N(C)C)C1)C(=O)[O-] ZINC001592799726 1016804637 /nfs/dbraw/zinc/80/46/37/1016804637.db2.gz ZKHIDZFRUYWKPP-BDAKNGLRSA-N -1 0 308.356 -0.191 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCOC[C@@H]1c1ccnn1C)C(=O)[O-] ZINC001592800133 1016804662 /nfs/dbraw/zinc/80/46/62/1016804662.db2.gz KVCFFJYMYOAZFH-GXSJLCMTSA-N -1 0 317.367 -0.156 20 0 DBADRM CC(C)S(=O)(=O)CCNS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001592807906 1016804691 /nfs/dbraw/zinc/80/46/91/1016804691.db2.gz IHVGFIANEPINBM-MRVPVSSYSA-N -1 0 301.386 -0.550 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCO[C@@H](Cn2ccnn2)C1)C(=O)[O-] ZINC001592801198 1016804732 /nfs/dbraw/zinc/80/47/32/1016804732.db2.gz ZKZJAPARBMVOCN-UWVGGRQHSA-N -1 0 318.355 -0.971 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21)C(=O)[O-] ZINC001592789341 1016802000 /nfs/dbraw/zinc/80/20/00/1016802000.db2.gz FOESNMQJTJJGTD-OPRDCNLKSA-N -1 0 307.368 -0.085 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@]2(C)CCNC2=O)c1[O-] ZINC001495959774 1016802245 /nfs/dbraw/zinc/80/22/45/1016802245.db2.gz XMYWHCOPPJNODD-CQSZACIVSA-N -1 0 323.353 -0.862 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@@]2(C)CCNC2=O)c1[O-] ZINC001495959769 1016802382 /nfs/dbraw/zinc/80/23/82/1016802382.db2.gz XMYWHCOPPJNODD-AWEZNQCLSA-N -1 0 323.353 -0.862 20 0 DBADRM C[C@H](CS(=O)(=O)N1CC[C@H](NC(=O)NC2CC2)C1)C(=O)[O-] ZINC001592798265 1016803049 /nfs/dbraw/zinc/80/30/49/1016803049.db2.gz NCSVLPVFGMIUGX-SCZZXKLOSA-N -1 0 319.383 -0.427 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@H](NC(=O)N(C)C)C1)C(=O)[O-] ZINC001592798261 1016803108 /nfs/dbraw/zinc/80/31/08/1016803108.db2.gz NBJGOGRYMNKCBI-ZJUUUORDSA-N -1 0 321.399 -0.228 20 0 DBADRM C[C@H](CS(=O)(=O)N[C@H](C1CC1)[C@@]1(CO)CCCO1)C(=O)[O-] ZINC001592807196 1016804782 /nfs/dbraw/zinc/80/47/82/1016804782.db2.gz LKNPZPRPDXWHOQ-XWIASGKRSA-N -1 0 321.395 -0.053 20 0 DBADRM C[C@H](CS(=O)(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1)C(=O)[O-] ZINC001592789513 1016803271 /nfs/dbraw/zinc/80/32/71/1016803271.db2.gz IJZCFUPRNCYSDH-NZXMKCKXSA-N -1 0 318.351 -0.979 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@@H]1CCOC12CCOCC2)C(=O)[O-] ZINC001592806246 1016803974 /nfs/dbraw/zinc/80/39/74/1016803974.db2.gz FPWYMZABHPTXSN-VHSXEESVSA-N -1 0 307.368 -0.035 20 0 DBADRM C[C@@H](CS(=O)(=O)NC1CC(N2CCOCC2)C1)C(=O)[O-] ZINC001592806178 1016804909 /nfs/dbraw/zinc/80/49/09/1016804909.db2.gz CZAJCWXBLSLJED-WHXUTIOJSA-N -1 0 306.384 -0.510 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001592813505 1016805451 /nfs/dbraw/zinc/80/54/51/1016805451.db2.gz ARDBYUJXABSQIZ-PELKAZGASA-N -1 0 318.351 -0.501 20 0 DBADRM C[C@@H](CS(=O)(=O)NC[C@H]1COC2(CCOCC2)O1)C(=O)[O-] ZINC001592810550 1016805845 /nfs/dbraw/zinc/80/58/45/1016805845.db2.gz YIHIZDKMUNTUJZ-UWVGGRQHSA-N -1 0 323.367 -0.451 20 0 DBADRM C[C@@H](CS(=O)(=O)NC[C@H](CO)c1cccnc1)C(=O)[O-] ZINC001592808862 1016805987 /nfs/dbraw/zinc/80/59/87/1016805987.db2.gz NATXWKQMYSDDHL-GXSJLCMTSA-N -1 0 302.352 -0.202 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H](Cn1ccnc1)C(=O)[O-] ZINC001592813510 1016806082 /nfs/dbraw/zinc/80/60/82/1016806082.db2.gz ASQHVAIZTYYHEG-DTWKUNHWSA-N -1 0 303.340 -0.867 20 0 DBADRM C[C@H](CS(C)(=O)=O)NS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001592822105 1016807122 /nfs/dbraw/zinc/80/71/22/1016807122.db2.gz FOQABHNQQCMDFR-MRVPVSSYSA-N -1 0 313.397 -0.406 20 0 DBADRM C[C@@H](C[S@@](C)=O)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001592823130 1016807667 /nfs/dbraw/zinc/80/76/67/1016807667.db2.gz YDTMCWXJTVKHLD-ZCMQNPMTSA-N -1 0 318.395 -0.561 20 0 DBADRM C[C@H](C[S@@](C)=O)NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001592822422 1016807861 /nfs/dbraw/zinc/80/78/61/1016807861.db2.gz MFRUSZYWHRUYLD-MTDFSXGESA-N -1 0 318.395 -0.114 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001592930331 1016816383 /nfs/dbraw/zinc/81/63/83/1016816383.db2.gz JQSYZWIJEGEEFB-SNVBAGLBSA-N -1 0 304.306 -0.052 20 0 DBADRM C[C@@H](C[S@](C)=O)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001592823128 1016808247 /nfs/dbraw/zinc/80/82/47/1016808247.db2.gz YDTMCWXJTVKHLD-IPAKZPSXSA-N -1 0 318.395 -0.561 20 0 DBADRM O=C(CCn1cccc1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592860791 1016809712 /nfs/dbraw/zinc/80/97/12/1016809712.db2.gz KIQNPDNKUQPQFW-UHFFFAOYSA-N -1 0 301.314 -0.534 20 0 DBADRM O=C(CCc1nccs1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592857649 1016810874 /nfs/dbraw/zinc/81/08/74/1016810874.db2.gz OUVHMHKTWQHQQE-UHFFFAOYSA-N -1 0 319.354 -0.336 20 0 DBADRM C[C@H](Cn1cccn1)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001592925279 1016816531 /nfs/dbraw/zinc/81/65/31/1016816531.db2.gz AGHRHUQSKTXPFL-UTLUCORTSA-N -1 0 311.342 -0.451 20 0 DBADRM CCN(C)C(=O)CN(C)CCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001438870435 1003709066 /nfs/dbraw/zinc/70/90/66/1003709066.db2.gz YPQAAOKWQPTKCD-UHFFFAOYSA-N -1 0 311.386 -0.094 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCCC[C@@]12CCOC2 ZINC001592940211 1016821221 /nfs/dbraw/zinc/82/12/21/1016821221.db2.gz SLGZARRTXIYBMR-ZDUSSCGKSA-N -1 0 318.341 -0.370 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NN1C[C@@H]2CCC[C@@H]2C1 ZINC001592941484 1016821351 /nfs/dbraw/zinc/82/13/51/1016821351.db2.gz AYQPWZCLBOWZBB-DTORHVGOSA-N -1 0 303.330 -0.779 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cnn(CC(F)F)c1 ZINC001592941384 1016822114 /nfs/dbraw/zinc/82/21/14/1016822114.db2.gz JCFVZALCXRYGIA-UHFFFAOYSA-N -1 0 324.255 -0.442 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCCC[C@]12CCOC2 ZINC001592940210 1016822233 /nfs/dbraw/zinc/82/22/33/1016822233.db2.gz SLGZARRTXIYBMR-CYBMUJFWSA-N -1 0 318.341 -0.370 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC001592940355 1016822369 /nfs/dbraw/zinc/82/23/69/1016822369.db2.gz AUYIQVSKNNXUCG-BDAKNGLRSA-N -1 0 320.382 -0.045 20 0 DBADRM CN(C[C@H](O)CNC(=O)c1ccccc1O)C(=O)c1ncc[nH]1 ZINC001428197488 1003736511 /nfs/dbraw/zinc/73/65/11/1003736511.db2.gz YJKKEJKNNHTKJY-SNVBAGLBSA-N -1 0 318.333 -0.022 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1CCCSC1 ZINC001592940879 1016822461 /nfs/dbraw/zinc/82/24/61/1016822461.db2.gz GMHXEGFINOIIIE-QMMMGPOBSA-N -1 0 308.371 -0.282 20 0 DBADRM O=C(Cc1ccnc(F)c1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592927678 1016816850 /nfs/dbraw/zinc/81/68/50/1016816850.db2.gz YCIIIWJKMIOIGZ-UHFFFAOYSA-N -1 0 317.288 -0.649 20 0 DBADRM C[C@@](Cn1cccn1)(NS(=O)(=O)C[C@H]1CCCO1)C(=O)[O-] ZINC001592926616 1016816960 /nfs/dbraw/zinc/81/69/60/1016816960.db2.gz TYCWOWKILMRQAX-PWSUYJOCSA-N -1 0 317.367 -0.175 20 0 DBADRM C[C@@](Cn1cccn1)(NCC(=O)NC[C@H]1CCCO1)C(=O)[O-] ZINC001592923015 1016818099 /nfs/dbraw/zinc/81/80/99/1016818099.db2.gz GSUGNFYAXMTQAV-RISCZKNCSA-N -1 0 310.354 -0.389 20 0 DBADRM Cc1cnc(CN(C)CCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001438926838 1003764548 /nfs/dbraw/zinc/76/45/48/1003764548.db2.gz GNOGYINOSTZOIQ-UHFFFAOYSA-N -1 0 324.341 -0.424 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001592931902 1016818735 /nfs/dbraw/zinc/81/87/35/1016818735.db2.gz RZHGEFRCSAKLEL-UWVGGRQHSA-N -1 0 309.326 -0.752 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001592931272 1016818860 /nfs/dbraw/zinc/81/88/60/1016818860.db2.gz LJNSSJZMHOLTQF-KOLCDFICSA-N -1 0 311.342 -0.466 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CCC[C@H]2C[C@H]21 ZINC001592934924 1016819180 /nfs/dbraw/zinc/81/91/80/1016819180.db2.gz ZDNFQYZFCXQHLB-IONNQARKSA-N -1 0 317.309 -0.860 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NCC1=CCCC1 ZINC001592935335 1016819472 /nfs/dbraw/zinc/81/94/72/1016819472.db2.gz FWOXPYWNNNKPME-UHFFFAOYSA-N -1 0 317.309 -0.645 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)Nc1ccccn1 ZINC001592935260 1016820082 /nfs/dbraw/zinc/82/00/82/1016820082.db2.gz AQXNCVGLOZETNY-UHFFFAOYSA-N -1 0 314.265 -0.837 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CC(=O)c2ccccc21 ZINC001592939787 1016820156 /nfs/dbraw/zinc/82/01/56/1016820156.db2.gz KWZVWHTVCDFMDU-JTQLQIEISA-N -1 0 324.304 -0.098 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)c1cccnc1 ZINC001592979024 1016827493 /nfs/dbraw/zinc/82/74/93/1016827493.db2.gz GRWLBIDCFPEXDA-NHCYSSNCSA-N -1 0 321.333 -0.041 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCC(CC(=O)[O-])CC1)c1ncnn1C ZINC001592970903 1016827617 /nfs/dbraw/zinc/82/76/17/1016827617.db2.gz MQFUZIMKFQHEQY-SECBINFHSA-N -1 0 323.353 -0.294 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ncnn1C ZINC001592981385 1016827880 /nfs/dbraw/zinc/82/78/80/1016827880.db2.gz RTCGAYZJYKPTQJ-IVZWLZJFSA-N -1 0 323.353 -0.439 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1)[C@H]1CC2CCC1CC2 ZINC001592970693 1016828378 /nfs/dbraw/zinc/82/83/78/1016828378.db2.gz IZRGVMIJYGTZGI-WNYYMSAVSA-N -1 0 324.377 -0.025 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)c1ccccn1 ZINC001592981147 1016828391 /nfs/dbraw/zinc/82/83/91/1016828391.db2.gz PAOHCEJLTXBXOM-NHCYSSNCSA-N -1 0 321.333 -0.041 20 0 DBADRM COCCN(CCNC(=O)C(F)F)C(=O)c1n[nH]c(C)c1[O-] ZINC001428399206 1003829348 /nfs/dbraw/zinc/82/93/48/1003829348.db2.gz GLAQYTLLHTWRBS-UHFFFAOYSA-N -1 0 320.296 -0.106 20 0 DBADRM COCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-] ZINC001428423922 1003835370 /nfs/dbraw/zinc/83/53/70/1003835370.db2.gz HRKCFRIUEZXZTH-JZYVYDRUSA-N -1 0 308.338 -0.353 20 0 DBADRM CC[C@H](F)C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001417173919 1003837610 /nfs/dbraw/zinc/83/76/10/1003837610.db2.gz GABPDSRBQWNNSQ-LURJTMIESA-N -1 0 313.289 -0.591 20 0 DBADRM CC[C@@H](C)C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001417181286 1003838991 /nfs/dbraw/zinc/83/89/91/1003838991.db2.gz ZOPARJCSHDDAJL-MRVPVSSYSA-N -1 0 311.342 -0.500 20 0 DBADRM CC(=O)NC1CC(N(C)C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001428478196 1003844195 /nfs/dbraw/zinc/84/41/95/1003844195.db2.gz VPFOQRWPDDACOH-UHFFFAOYSA-N -1 0 309.326 -0.659 20 0 DBADRM CS[C@H](C)C(=O)NC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001428517199 1003851136 /nfs/dbraw/zinc/85/11/36/1003851136.db2.gz QNFODAIDDXUIKN-NKWVEPMBSA-N -1 0 317.371 -0.938 20 0 DBADRM C[C@H](CNC(=O)[C@@H](C)C1CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001428564716 1003859389 /nfs/dbraw/zinc/85/93/89/1003859389.db2.gz RVVIYGFSAXSWDJ-BDAKNGLRSA-N -1 0 322.365 -0.234 20 0 DBADRM CCC(=O)N1CC[C@](C)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001417354434 1003870988 /nfs/dbraw/zinc/87/09/88/1003870988.db2.gz UDWHQHMIHNSODC-CYBMUJFWSA-N -1 0 309.326 -0.339 20 0 DBADRM CCn1nncc1C(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001428606846 1003871631 /nfs/dbraw/zinc/87/16/31/1003871631.db2.gz WYMNNPJSXUOVPR-SSDOTTSWSA-N -1 0 321.341 -0.417 20 0 DBADRM CC(=O)NCC1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001417394424 1003873039 /nfs/dbraw/zinc/87/30/39/1003873039.db2.gz ULAAILHFCVJCCR-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM O=C(N[C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1n[nH]c(=O)[n-]1 ZINC001593005830 1016831202 /nfs/dbraw/zinc/83/12/02/1016831202.db2.gz WDCJWOBWBPOUNO-SECBINFHSA-N -1 0 312.293 -0.412 20 0 DBADRM O=C(N[C@H]1C[C@@H](O)[C@@H](O)C1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001593005681 1016832011 /nfs/dbraw/zinc/83/20/11/1016832011.db2.gz XWSKOZDKFRQKLS-FJPPDTINSA-N -1 0 305.294 -0.814 20 0 DBADRM CC(C)C(=O)N1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001417595991 1003893986 /nfs/dbraw/zinc/89/39/86/1003893986.db2.gz FBFGGMKHCSMCNG-UHFFFAOYSA-N -1 0 313.383 -0.071 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001417604260 1003896337 /nfs/dbraw/zinc/89/63/37/1003896337.db2.gz IVSMRTWACLAXRV-UHFFFAOYSA-N -1 0 321.341 -0.334 20 0 DBADRM Cc1cc(NC(=O)CN(C)C(=O)CCCc2nnn[n-]2)no1 ZINC001417609224 1003896932 /nfs/dbraw/zinc/89/69/32/1003896932.db2.gz APIQUSJXDQOWMR-UHFFFAOYSA-N -1 0 307.314 -0.084 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCn1cccn1 ZINC001439298124 1003897129 /nfs/dbraw/zinc/89/71/29/1003897129.db2.gz KZLOTMLCHZCJHF-JTQLQIEISA-N -1 0 307.358 -0.266 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2c[n-]ncc2=O)C1 ZINC001417609747 1003897708 /nfs/dbraw/zinc/89/77/08/1003897708.db2.gz PFLGQYJNQIHLMB-SECBINFHSA-N -1 0 314.367 -0.416 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cc[nH]c(=O)c1 ZINC001439312332 1003898866 /nfs/dbraw/zinc/89/88/66/1003898866.db2.gz BSBKQGXZYQHXHI-MRVPVSSYSA-N -1 0 306.326 -0.139 20 0 DBADRM C[C@@H](NC(=O)Cn1nnc(N)n1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593050218 1016833947 /nfs/dbraw/zinc/83/39/47/1016833947.db2.gz LCTJZTCECIFQPG-MWLCHTKSSA-N -1 0 318.337 -0.297 20 0 DBADRM CCN1C[C@@H](C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)CC1=O ZINC001439330579 1003911320 /nfs/dbraw/zinc/91/13/20/1003911320.db2.gz LWMQCAGIAIDDSR-UWVGGRQHSA-N -1 0 324.385 -0.685 20 0 DBADRM C[C@@H](NC(=O)COC(=O)c1cncc(C(=O)[O-])c1)C(=O)N(C)C ZINC001593031287 1016834450 /nfs/dbraw/zinc/83/44/50/1016834450.db2.gz WAFUUVTUQPYQKF-MRVPVSSYSA-N -1 0 323.305 -0.471 20 0 DBADRM C[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1cnn(C)c1 ZINC001593025640 1016834590 /nfs/dbraw/zinc/83/45/90/1016834590.db2.gz GMASJOPNBXTZCD-ONGXEEELSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1cnn(C)c1 ZINC001593025639 1016834883 /nfs/dbraw/zinc/83/48/83/1016834883.db2.gz GMASJOPNBXTZCD-MWLCHTKSSA-N -1 0 308.338 -0.080 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1CCO[C@H](c3nnn[n-]3)C1)CC2 ZINC001417636317 1003927650 /nfs/dbraw/zinc/92/76/50/1003927650.db2.gz VUJIGYHHMYICQO-ZJUUUORDSA-N -1 0 318.341 -0.738 20 0 DBADRM C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001593002395 1016829656 /nfs/dbraw/zinc/82/96/56/1016829656.db2.gz GSXVVOIAJRKHHH-ONGXEEELSA-N -1 0 323.353 -0.458 20 0 DBADRM C[C@H](NC(=O)C(N)=O)[C@@H]1CCCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001592994209 1016829935 /nfs/dbraw/zinc/82/99/35/1016829935.db2.gz RXFRCHQAPMWBNM-DTWKUNHWSA-N -1 0 321.337 -0.619 20 0 DBADRM C[C@H](NC(=O)C1(S(N)(=O)=O)CC1)c1ncc(C(=O)[O-])s1 ZINC001592997629 1016830398 /nfs/dbraw/zinc/83/03/98/1016830398.db2.gz CEJHUHJGFCNAAY-YFKPBYRVSA-N -1 0 319.364 -0.160 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1sccc1C(=O)[O-])c1nnnn1C ZINC001592991665 1016830431 /nfs/dbraw/zinc/83/04/31/1016830431.db2.gz XABGPYOWPFUJGX-YFKPBYRVSA-N -1 0 324.322 -0.214 20 0 DBADRM COC(=O)[C@@]1(NC(=O)c2c[n-]n3c2nccc3=O)CCOC1 ZINC001417665593 1003950471 /nfs/dbraw/zinc/95/04/71/1003950471.db2.gz JKVGWUUVOMKAQD-CYBMUJFWSA-N -1 0 306.278 -0.916 20 0 DBADRM COc1cc(OC)cc([C@H](O)CNC(=O)CCc2nnn[n-]2)c1 ZINC001417669620 1003953669 /nfs/dbraw/zinc/95/36/69/1003953669.db2.gz DJFZRESWTHLBBY-GFCCVEGCSA-N -1 0 321.337 -0.001 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001417668407 1003955713 /nfs/dbraw/zinc/95/57/13/1003955713.db2.gz GNWXFPAWPBIEOQ-MRVPVSSYSA-N -1 0 303.278 -0.701 20 0 DBADRM C[C@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1nc(C(F)(F)F)no1 ZINC001593051552 1016836768 /nfs/dbraw/zinc/83/67/68/1016836768.db2.gz KXAJMOGNNJMMPQ-BYPYZUCNSA-N -1 0 324.215 -0.010 20 0 DBADRM C[C@@H](NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)c1nncn1C ZINC001593053703 1016836915 /nfs/dbraw/zinc/83/69/15/1016836915.db2.gz LGQJRRKZJISWTH-PSASIEDQSA-N -1 0 311.342 -0.257 20 0 DBADRM C[C@@H](NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)c1ncn(C)n1 ZINC001593057092 1016837244 /nfs/dbraw/zinc/83/72/44/1016837244.db2.gz YLLQDJGXVAHPLT-PSASIEDQSA-N -1 0 311.342 -0.257 20 0 DBADRM CCOC(=O)[C@H](NC(=O)CCc1nnn[n-]1)C1CCOCC1 ZINC001417698711 1003980264 /nfs/dbraw/zinc/98/02/64/1003980264.db2.gz XMHMXBUQRSAWDV-GFCCVEGCSA-N -1 0 311.342 -0.393 20 0 DBADRM CCOC(=O)[C@@H](NC(=O)CCc1nnn[n-]1)C1CCOCC1 ZINC001417698712 1003980879 /nfs/dbraw/zinc/98/08/79/1003980879.db2.gz XMHMXBUQRSAWDV-LBPRGKRZSA-N -1 0 311.342 -0.393 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1ccnc(-c2nn[nH]n2)c1 ZINC001593079931 1016838934 /nfs/dbraw/zinc/83/89/34/1016838934.db2.gz AHOIQXCXPJNCGZ-UHFFFAOYSA-N -1 0 315.297 -0.552 20 0 DBADRM C[C@@H](NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)C(=O)N(C)C ZINC001593077674 1016839498 /nfs/dbraw/zinc/83/94/98/1016839498.db2.gz FFGGTRIXIQZFES-ISTVAULSSA-N -1 0 313.354 -0.404 20 0 DBADRM Cn1cncc1CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001417711721 1003995358 /nfs/dbraw/zinc/99/53/58/1003995358.db2.gz OIOSQRSSERURTA-UHFFFAOYSA-N -1 0 324.362 -0.254 20 0 DBADRM C[C@H]1c2nncn2CCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001417714178 1003998348 /nfs/dbraw/zinc/99/83/48/1003998348.db2.gz MKLSWKRZRNFODT-QMMMGPOBSA-N -1 0 307.314 -0.336 20 0 DBADRM O=C(NCCNc1ccnc(-c2nnn[n-]2)n1)C1CC2(CC2)C1 ZINC001593091468 1016840201 /nfs/dbraw/zinc/84/02/01/1016840201.db2.gz YPBJISQSTWYMKE-UHFFFAOYSA-N -1 0 314.353 -0.203 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001417715956 1003999448 /nfs/dbraw/zinc/99/94/48/1003999448.db2.gz WBCTURIYQGEWGG-DTWKUNHWSA-N -1 0 312.326 -0.121 20 0 DBADRM C[C@@H](NC(=O)NCCC(=O)NCCC(=O)[O-])c1ncnn1C ZINC001593088847 1016840659 /nfs/dbraw/zinc/84/06/59/1016840659.db2.gz MUTJMQADXORNFT-MRVPVSSYSA-N -1 0 312.330 -0.844 20 0 DBADRM O=C(c1cc2n(n1)CCO2)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001417720121 1004003503 /nfs/dbraw/zinc/00/35/03/1004003503.db2.gz SOPRPJFIUKBUQF-MRVPVSSYSA-N -1 0 307.339 -0.281 20 0 DBADRM O=C(c1cc2n(n1)CCO2)N1CCSC[C@H]1c1nnn[n-]1 ZINC001417720125 1004003775 /nfs/dbraw/zinc/00/37/75/1004003775.db2.gz SOPRPJFIUKBUQF-QMMMGPOBSA-N -1 0 307.339 -0.281 20 0 DBADRM CO[C@@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CCO1 ZINC001417718486 1004004023 /nfs/dbraw/zinc/00/40/23/1004004023.db2.gz UEICAZFACOHZQD-NSHDSACASA-N -1 0 304.310 -0.480 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)N1CCC[C@H](c3nnn[n-]3)C1)CC2 ZINC001417722037 1004005091 /nfs/dbraw/zinc/00/50/91/1004005091.db2.gz TVTUFYUPNGOMSV-UWVGGRQHSA-N -1 0 316.369 -0.161 20 0 DBADRM O=C(C1=CS(=O)(=O)CCC1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001417721922 1004005641 /nfs/dbraw/zinc/00/56/41/1004005641.db2.gz OPROCMIBQPJUGC-SECBINFHSA-N -1 0 311.367 -0.002 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593106501 1016843819 /nfs/dbraw/zinc/84/38/19/1016843819.db2.gz DCWAQCGWYJDREA-UHFFFAOYSA-N -1 0 301.266 -0.485 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC001417733027 1004012217 /nfs/dbraw/zinc/01/22/17/1004012217.db2.gz LCOWXPKCCXXFIS-SNVBAGLBSA-N -1 0 305.294 -0.236 20 0 DBADRM C[C@@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1cnn(C)c1 ZINC001593101332 1016843975 /nfs/dbraw/zinc/84/39/75/1016843975.db2.gz CKRVEUAULXWHBW-VGMNWLOBSA-N -1 0 311.342 -0.242 20 0 DBADRM Cc1nccn1CC(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001417744866 1004015434 /nfs/dbraw/zinc/01/54/34/1004015434.db2.gz MRFRDIBPESERLY-LLVKDONJSA-N -1 0 319.369 -0.252 20 0 DBADRM O=C(NCCc1nnc[nH]1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001593107121 1016844326 /nfs/dbraw/zinc/84/43/26/1016844326.db2.gz PHHXWHMCQSWGDX-UHFFFAOYSA-N -1 0 300.282 -0.337 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccc(Cl)[nH]1 ZINC001593111957 1016844693 /nfs/dbraw/zinc/84/46/93/1016844693.db2.gz JMYQAGQYYRVKLP-UHFFFAOYSA-N -1 0 307.705 -0.130 20 0 DBADRM CCN(C)C(=O)CN1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001439517900 1004027848 /nfs/dbraw/zinc/02/78/48/1004027848.db2.gz YVCGPNCAHYAOLG-SNVBAGLBSA-N -1 0 309.370 -0.294 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)Nc1ncccn1 ZINC001593111498 1016846315 /nfs/dbraw/zinc/84/63/15/1016846315.db2.gz DPCIGKLPLDPNOM-UHFFFAOYSA-N -1 0 301.274 -0.930 20 0 DBADRM C[C@@H](NC(=O)Nc1nn(C)cc1C(=O)[O-])[C@H]1CN(C)CCO1 ZINC001593125311 1016848010 /nfs/dbraw/zinc/84/80/10/1016848010.db2.gz QDSFCOVRLPGYJY-PSASIEDQSA-N -1 0 311.342 -0.041 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cccc(F)n1 ZINC001593113045 1016846474 /nfs/dbraw/zinc/84/64/74/1016846474.db2.gz WKHFHKFMCUORSU-UHFFFAOYSA-N -1 0 303.261 -0.578 20 0 DBADRM C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001593123844 1016846765 /nfs/dbraw/zinc/84/67/65/1016846765.db2.gz CVWQZEDEFQKTGQ-RBDZCENOSA-N -1 0 302.327 -0.006 20 0 DBADRM NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCc1nnn[n-]1 ZINC001417794012 1004042580 /nfs/dbraw/zinc/04/25/80/1004042580.db2.gz OPFRBTJDLLEVEN-JTQLQIEISA-N -1 0 322.756 -0.002 20 0 DBADRM C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C1(S(C)(=O)=O)CC1 ZINC001593142507 1016847517 /nfs/dbraw/zinc/84/75/17/1016847517.db2.gz VKRFEZXFVAEAST-YIZRAAEISA-N -1 0 305.352 -0.300 20 0 DBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(-c2nn[nH]n2)s1 ZINC001593106486 1016843643 /nfs/dbraw/zinc/84/36/43/1016843643.db2.gz CLWVUFLQUIHHQE-UHFFFAOYSA-N -1 0 307.295 -0.423 20 0 DBADRM C[C@@H](C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001439646289 1004081555 /nfs/dbraw/zinc/08/15/55/1004081555.db2.gz HLEHUQMPEOWFSO-RKDXNWHRSA-N -1 0 322.369 -0.837 20 0 DBADRM C[C@](NC(=O)c1ccnc(S(N)(=O)=O)c1)(C(=O)[O-])C1CC1 ZINC001593181865 1016852162 /nfs/dbraw/zinc/85/21/62/1016852162.db2.gz XFECZRNBWOUFLM-GFCCVEGCSA-N -1 0 313.335 -0.288 20 0 DBADRM COC(=O)[C@H](CF)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001417886551 1004088878 /nfs/dbraw/zinc/08/88/78/1004088878.db2.gz YBFGBAJAKSNCAT-VIFPVBQESA-N -1 0 324.268 -0.493 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1cnc(Cl)cn1 ZINC001417891218 1004090484 /nfs/dbraw/zinc/09/04/84/1004090484.db2.gz OFGOMOLJJXVMKW-UHFFFAOYSA-N -1 0 319.712 -0.169 20 0 DBADRM C[C@@H](NC(=O)c1cncn1C)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593184442 1016852575 /nfs/dbraw/zinc/85/25/75/1016852575.db2.gz CFZWOUGDOOKGPN-RKDXNWHRSA-N -1 0 318.337 -0.051 20 0 DBADRM C[C@@H](Nc1ccnc(C(=O)[O-])n1)[C@H](C)NC(=O)c1cnnn1C ZINC001593185119 1016853280 /nfs/dbraw/zinc/85/32/80/1016853280.db2.gz QQTQFHSUCHZILX-SFYZADRCSA-N -1 0 319.325 -0.656 20 0 DBADRM C[C@@H](NC(=O)c1ccn[nH]1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593155513 1016849845 /nfs/dbraw/zinc/84/98/45/1016849845.db2.gz DHTHJTWERAMHEH-JGVFFNPUSA-N -1 0 304.310 -0.061 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001417945419 1004129204 /nfs/dbraw/zinc/12/92/04/1004129204.db2.gz YQCMJURQALPXGR-JTQLQIEISA-N -1 0 324.385 -0.637 20 0 DBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC1(CO)CCSCC1 ZINC001417949294 1004132480 /nfs/dbraw/zinc/13/24/80/1004132480.db2.gz QRCQFYBRRHXBTN-UHFFFAOYSA-N -1 0 323.378 -0.555 20 0 DBADRM C[C@H](NC(=O)c1ccn[nH]1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001593155515 1016850906 /nfs/dbraw/zinc/85/09/06/1016850906.db2.gz DHTHJTWERAMHEH-YUMQZZPRSA-N -1 0 304.310 -0.061 20 0 DBADRM O=C([O-])CNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC001593278444 1016857154 /nfs/dbraw/zinc/85/71/54/1016857154.db2.gz FSESPGAGLIIWGC-UHFFFAOYSA-N -1 0 301.259 -0.631 20 0 DBADRM O=C([O-])CN1CC[C@@H](Oc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC001593278511 1016857383 /nfs/dbraw/zinc/85/73/83/1016857383.db2.gz JIUXDNGVOPRBJQ-SNVBAGLBSA-N -1 0 303.278 -0.069 20 0 DBADRM O=C([O-])COCCNC(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001593278566 1016857393 /nfs/dbraw/zinc/85/73/93/1016857393.db2.gz MUXVKKLAKBJABJ-UHFFFAOYSA-N -1 0 305.294 -0.373 20 0 DBADRM O=C(Nc1c[nH]nc1-c1nnn[n-]1)c1cc2n(n1)CCCO2 ZINC001593260517 1016857485 /nfs/dbraw/zinc/85/74/85/1016857485.db2.gz MBLAPGYTCAXGGM-UHFFFAOYSA-N -1 0 301.270 -0.179 20 0 DBADRM C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C1N=NC(=O)N1C ZINC001593318684 1016858653 /nfs/dbraw/zinc/85/86/53/1016858653.db2.gz JINAMGKELXPBJT-ZETCQYMHSA-N -1 0 318.355 -0.244 20 0 DBADRM O=C(CCC(F)F)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001439999091 1004180117 /nfs/dbraw/zinc/18/01/17/1004180117.db2.gz KEHVBKJCJFJKBU-GFCCVEGCSA-N -1 0 319.312 -0.391 20 0 DBADRM CC1(CC(=O)NC[C@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001440009191 1004188552 /nfs/dbraw/zinc/18/85/52/1004188552.db2.gz HZYFBQLEMAGIGF-CQSZACIVSA-N -1 0 309.370 -0.247 20 0 DBADRM CC(C)n1cc(C(C)(C)NC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001418068609 1004192948 /nfs/dbraw/zinc/19/29/48/1004192948.db2.gz BQBHEEXIKSVKLA-UHFFFAOYSA-N -1 0 309.330 -0.087 20 0 DBADRM C[C@@H](N[C@@H]1CCN(CCC(=O)[O-])C1=O)c1nnnn1C1CC1 ZINC001593220915 1016855424 /nfs/dbraw/zinc/85/54/24/1016855424.db2.gz WPBMZONISUHRAC-PSASIEDQSA-N -1 0 308.342 -0.266 20 0 DBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1ccc(-c2nn[nH]n2)s1 ZINC001593272156 1016855686 /nfs/dbraw/zinc/85/56/86/1016855686.db2.gz SNMFCHAVRNZYON-UHFFFAOYSA-N -1 0 305.279 -0.426 20 0 DBADRM O=C([O-])C1(CNc2ncncc2-c2nn[nH]n2)CCOCC1 ZINC001593272299 1016856404 /nfs/dbraw/zinc/85/64/04/1016856404.db2.gz ADQXLHPTPPWYBU-UHFFFAOYSA-N -1 0 305.298 -0.050 20 0 DBADRM O=C(Cn1cncn1)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001418159979 1004239993 /nfs/dbraw/zinc/23/99/93/1004239993.db2.gz SOBWBLBBBUWVPH-SNVBAGLBSA-N -1 0 320.357 -0.727 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC001418164377 1004240195 /nfs/dbraw/zinc/24/01/95/1004240195.db2.gz OYMZEEBDPSFAHD-JTQLQIEISA-N -1 0 314.342 -0.329 20 0 DBADRM C[C@H](NS(=O)(=O)CCCC(=O)[O-])C(=O)NCC(F)(F)F ZINC001593319797 1016860493 /nfs/dbraw/zinc/86/04/93/1016860493.db2.gz RJRKAQDZOBZYNC-LURJTMIESA-N -1 0 320.289 -0.162 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)c1ncn(C)n1 ZINC001593330329 1016860698 /nfs/dbraw/zinc/86/06/98/1016860698.db2.gz HDEJBYOIIWGZAY-YFKPBYRVSA-N -1 0 300.300 -0.724 20 0 DBADRM CC[C@H](C)C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)OC ZINC001418179507 1004244809 /nfs/dbraw/zinc/24/48/09/1004244809.db2.gz OHMZMKVFLIMAPM-JGVFFNPUSA-N -1 0 300.315 -0.217 20 0 DBADRM O=C(c1cnccc1-c1nn[nH]n1)N1CC(NC2COC2)C1 ZINC001593362931 1016865521 /nfs/dbraw/zinc/86/55/21/1016865521.db2.gz JHWRNOYTRTZTRI-UHFFFAOYSA-N -1 0 301.310 -0.926 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1sccc1S(N)(=O)=O ZINC001418187406 1004252743 /nfs/dbraw/zinc/25/27/43/1004252743.db2.gz BHUQOEZVEMSBGE-UHFFFAOYSA-N -1 0 318.336 -0.656 20 0 DBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)C(=O)NCCF ZINC001593327074 1016861799 /nfs/dbraw/zinc/86/17/99/1016861799.db2.gz UVRVTQPMZUTQLY-ZETCQYMHSA-N -1 0 321.330 -0.524 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1CCOC[C@H]1CCO ZINC001593349069 1016864953 /nfs/dbraw/zinc/86/49/53/1016864953.db2.gz YFACVILJSIRWET-SECBINFHSA-N -1 0 304.310 -0.515 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001593347366 1016865143 /nfs/dbraw/zinc/86/51/43/1016865143.db2.gz IIKKVKDEGPPXCK-AUTRQRHGSA-N -1 0 304.368 -0.363 20 0 DBADRM O=C(c1cccc(-c2nn[nH]n2)n1)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001593348550 1016865772 /nfs/dbraw/zinc/86/57/72/1016865772.db2.gz DXGARBQQXQOUOO-KLBQYZOKSA-N -1 0 304.335 -0.393 20 0 DBADRM O=C(c1coc(-c2nn[nH]n2)c1)N1C[C@H](CCO)[C@H](CO)C1 ZINC001593367791 1016865808 /nfs/dbraw/zinc/86/58/08/1016865808.db2.gz PNCMDHFBVAKREM-WPRPVWTQSA-N -1 0 307.310 -0.477 20 0 DBADRM O=C(c1ccnc(-c2nn[nH]n2)c1)N1CCO[C@@]2(CCOC2)C1 ZINC001593358456 1016865923 /nfs/dbraw/zinc/86/59/23/1016865923.db2.gz IHVMVDNOXSMMKW-AWEZNQCLSA-N -1 0 316.321 -0.107 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001593352706 1016865953 /nfs/dbraw/zinc/86/59/53/1016865953.db2.gz GCBRUAOHJITQHB-GZMMTYOYSA-N -1 0 308.356 -0.936 20 0 DBADRM O=C(c1ccnc(-c2nn[nH]n2)c1)N1CC(N2CCOCC2)C1 ZINC001593358878 1016866276 /nfs/dbraw/zinc/86/62/76/1016866276.db2.gz RNZCTFKPQCRKEY-UHFFFAOYSA-N -1 0 315.337 -0.582 20 0 DBADRM Cn1nccc1[C@@H]1COCCN1C(=O)CCCc1nnn[n-]1 ZINC001418277725 1004309371 /nfs/dbraw/zinc/30/93/71/1004309371.db2.gz AUWICOFEYAEJKP-NSHDSACASA-N -1 0 305.342 -0.144 20 0 DBADRM O=C1[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)CCN1C1CCC1 ZINC001593379128 1016867795 /nfs/dbraw/zinc/86/77/95/1016867795.db2.gz XKMSYSASGJGAEV-VIFPVBQESA-N -1 0 300.326 -0.356 20 0 DBADRM O=C1[C@H](Nc2ccnc(-c3nnn[n-]3)n2)CCN1C1CCC1 ZINC001593379127 1016868476 /nfs/dbraw/zinc/86/84/76/1016868476.db2.gz XKMSYSASGJGAEV-SECBINFHSA-N -1 0 300.326 -0.356 20 0 DBADRM O=C(NC[C@@H]1CNC(=O)C1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001593385523 1016868928 /nfs/dbraw/zinc/86/89/28/1016868928.db2.gz LQAUJESLGKNWID-ZETCQYMHSA-N -1 0 302.294 -0.562 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001418386515 1004369600 /nfs/dbraw/zinc/36/96/00/1004369600.db2.gz BRRQVEDRUVGNQH-MWLCHTKSSA-N -1 0 315.333 -0.237 20 0 DBADRM C[C@](O)(CN1CCc2c(cccc2S(N)(=O)=O)C1)C(=O)[O-] ZINC001593396696 1016873181 /nfs/dbraw/zinc/87/31/81/1016873181.db2.gz UHZSIVITPLEQEQ-ZDUSSCGKSA-N -1 0 314.363 -0.472 20 0 DBADRM CC[C@H](OC)C(=O)NCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001418451740 1004400500 /nfs/dbraw/zinc/40/05/00/1004400500.db2.gz QKIDZVGPIPNWLF-LBPRGKRZSA-N -1 0 321.381 -0.004 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001496251007 1016876255 /nfs/dbraw/zinc/87/62/55/1016876255.db2.gz RDGUYSIJGUWKEX-IUCAKERBSA-N -1 0 323.353 -0.554 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Cc1ccc(F)cn1 ZINC001418475877 1004420958 /nfs/dbraw/zinc/42/09/58/1004420958.db2.gz BTMVRPZDHSHBOT-UHFFFAOYSA-N -1 0 322.300 -0.321 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N(C)CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001496250893 1016876683 /nfs/dbraw/zinc/87/66/83/1016876683.db2.gz RDGUYSIJGUWKEX-DTWKUNHWSA-N -1 0 323.353 -0.554 20 0 DBADRM O=C1NC2(CO1)CCN(c1ccnc(-c3nnn[n-]3)n1)CC2 ZINC001593412758 1016876649 /nfs/dbraw/zinc/87/66/49/1016876649.db2.gz CHSVKMUZDABHLH-UHFFFAOYSA-N -1 0 302.298 -0.265 20 0 DBADRM CC(C)C(=O)N(C)CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001496249681 1016876935 /nfs/dbraw/zinc/87/69/35/1016876935.db2.gz GBFIRJPTECUFFH-UHFFFAOYSA-N -1 0 311.342 -0.554 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccc(CS(N)(=O)=O)cc1)C(=O)[O-] ZINC001593411982 1016877467 /nfs/dbraw/zinc/87/74/67/1016877467.db2.gz RWIPWIKELMFLMI-GFCCVEGCSA-N -1 0 316.335 -0.960 20 0 DBADRM C[C@@](O)(CNC(=O)c1cc(S(C)(=O)=O)ccc1N)C(=O)[O-] ZINC001593407084 1016877724 /nfs/dbraw/zinc/87/77/24/1016877724.db2.gz KDQOGRKLHNRLOL-GFCCVEGCSA-N -1 0 316.335 -0.762 20 0 DBADRM C[C@](O)(CNC(=O)c1ccc(CS(N)(=O)=O)cc1)C(=O)[O-] ZINC001593411983 1016878583 /nfs/dbraw/zinc/87/85/83/1016878583.db2.gz RWIPWIKELMFLMI-LBPRGKRZSA-N -1 0 316.335 -0.960 20 0 DBADRM O=S(=O)(NC[C@H]1COCO1)c1ccsc1-c1nnn[n-]1 ZINC001593435620 1016883992 /nfs/dbraw/zinc/88/39/92/1016883992.db2.gz NSHSTCVCSHAGDS-LURJTMIESA-N -1 0 317.352 -0.421 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001593419843 1016879065 /nfs/dbraw/zinc/87/90/65/1016879065.db2.gz OPJVYLYROOQHFO-XHDPSFHLSA-N -1 0 324.333 -0.699 20 0 DBADRM C[C@](O)(CO)CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001593419108 1016879277 /nfs/dbraw/zinc/87/92/77/1016879277.db2.gz CJXUWLMGRFUUOW-CYBMUJFWSA-N -1 0 314.269 -0.678 20 0 DBADRM CSCC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)c1nnn[n-]1 ZINC001418528944 1004458081 /nfs/dbraw/zinc/45/80/81/1004458081.db2.gz UCQZMKCBSYXHQS-ZETCQYMHSA-N -1 0 321.428 -0.067 20 0 DBADRM C[C@](O)(Cn1ccccc1=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001593419484 1016879886 /nfs/dbraw/zinc/87/98/86/1016879886.db2.gz LLMCLBJDQXWYOR-HCKVZZMMSA-N -1 0 324.333 -0.795 20 0 DBADRM C[C@@](O)(CO)CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001593419109 1016880034 /nfs/dbraw/zinc/88/00/34/1016880034.db2.gz CJXUWLMGRFUUOW-ZDUSSCGKSA-N -1 0 314.269 -0.678 20 0 DBADRM O=S(=O)(CCOCC1CC1)[N-]c1n[nH]cc1-c1nn[nH]n1 ZINC001593420543 1016880340 /nfs/dbraw/zinc/88/03/40/1016880340.db2.gz KBBAPGFKHVAJRU-UHFFFAOYSA-N -1 0 313.343 -0.242 20 0 DBADRM CCN(CCNC(=O)Cn1nccc1C)Cc1n[nH]c(=O)[n-]1 ZINC001418563878 1004478527 /nfs/dbraw/zinc/47/85/27/1004478527.db2.gz MMHQKNPPAZNJDO-UHFFFAOYSA-N -1 0 307.358 -0.346 20 0 DBADRM C[C@H](O)C(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC001593427927 1016881288 /nfs/dbraw/zinc/88/12/88/1016881288.db2.gz QKGMONLFZDAJGR-VIFPVBQESA-N -1 0 315.347 -0.317 20 0 DBADRM C[C@](O)(Cn1cnc2c(cnn2CC(=O)[O-])c1=O)C(F)F ZINC001593427898 1016881333 /nfs/dbraw/zinc/88/13/33/1016881333.db2.gz PRBJGOJRRZJOOS-NSHDSACASA-N -1 0 302.237 -0.306 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001593424882 1016881532 /nfs/dbraw/zinc/88/15/32/1016881532.db2.gz BNOUFAGGQUYQFJ-HMDHDUFGSA-N -1 0 312.366 -0.169 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCc1cnc(C(=O)[O-])cn1 ZINC001593431645 1016883216 /nfs/dbraw/zinc/88/32/16/1016883216.db2.gz HPXYAKDREJNPLU-HQJQHLMTSA-N -1 0 323.305 -0.506 20 0 DBADRM O=S(=O)(N[C@H](CO)C1CCC1)c1cccnc1-c1nnn[n-]1 ZINC001593429867 1016883298 /nfs/dbraw/zinc/88/32/98/1016883298.db2.gz DLJMTPCLVSVOCL-SECBINFHSA-N -1 0 324.366 -0.299 20 0 DBADRM O=S(=O)(NCC1(O)CCC1)c1cccnc1-c1nnn[n-]1 ZINC001593432937 1016883692 /nfs/dbraw/zinc/88/36/92/1016883692.db2.gz YXRXJWYEZPSQNU-UHFFFAOYSA-N -1 0 310.339 -0.545 20 0 DBADRM O=S(=O)(NC(CF)CF)c1cccnc1-c1nnn[n-]1 ZINC001593430434 1016884186 /nfs/dbraw/zinc/88/41/86/1016884186.db2.gz SAJOGXQZLORHNV-UHFFFAOYSA-N -1 0 304.282 -0.152 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)OCc1cnc(C(=O)[O-])cn1 ZINC001593431644 1016884614 /nfs/dbraw/zinc/88/46/14/1016884614.db2.gz HPXYAKDREJNPLU-CPCISQLKSA-N -1 0 323.305 -0.506 20 0 DBADRM O=S(=O)(NC[C@H]1CC[C@H](O)C1)c1cccnc1-c1nnn[n-]1 ZINC001593439529 1016885130 /nfs/dbraw/zinc/88/51/30/1016885130.db2.gz UPDIFRUJGFRIPC-IUCAKERBSA-N -1 0 324.366 -0.299 20 0 DBADRM C[C@@H](O)[C@H]1CCCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001593436428 1016885323 /nfs/dbraw/zinc/88/53/23/1016885323.db2.gz LQLANMPDMQBAKX-MMWGEVLESA-N -1 0 315.370 -0.233 20 0 DBADRM O=S(=O)(NCCN1CCC1)c1cccnc1-c1nnn[n-]1 ZINC001593437929 1016885351 /nfs/dbraw/zinc/88/53/51/1016885351.db2.gz DOZDOPFKDOVPLE-UHFFFAOYSA-N -1 0 309.355 -0.754 20 0 DBADRM C[C@@H](O)C1(NC(=O)C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CC1 ZINC001593437368 1016885544 /nfs/dbraw/zinc/88/55/44/1016885544.db2.gz RLHUQCKJYOXGHP-MRVPVSSYSA-N -1 0 324.337 -0.329 20 0 DBADRM C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC001593437360 1016886368 /nfs/dbraw/zinc/88/63/68/1016886368.db2.gz QZSCIMRARBLCRU-WISYIIOYSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001593438542 1016886527 /nfs/dbraw/zinc/88/65/27/1016886527.db2.gz WEPDMISPURUEKZ-SFYZADRCSA-N -1 0 303.340 -0.111 20 0 DBADRM C[C@H](O)[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])no2)CCO1 ZINC001593443533 1016887198 /nfs/dbraw/zinc/88/71/98/1016887198.db2.gz ZPILKHIDXSFIRO-POYBYMJQSA-N -1 0 306.296 -0.857 20 0 DBADRM O=S(=O)(N[C@@H]1CNOC1)c1ccsc1-c1nnn[n-]1 ZINC001593444014 1016887239 /nfs/dbraw/zinc/88/72/39/1016887239.db2.gz KPGMKCYJZSACIV-RXMQYKEDSA-N -1 0 302.341 -0.890 20 0 DBADRM C[C@@H](CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C[C@H](C)O ZINC001593442051 1016887662 /nfs/dbraw/zinc/88/76/62/1016887662.db2.gz WDWBAQPMCNSCRY-VWYCJHECSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@@H](O)[C@@H]1CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CCO1 ZINC001593441099 1016887685 /nfs/dbraw/zinc/88/76/85/1016887685.db2.gz DKDNVRKXZNHAMD-KCJUWKMLSA-N -1 0 316.335 -0.450 20 0 DBADRM C[C@H](O)[C@@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])n2)CCO1 ZINC001593441884 1016887716 /nfs/dbraw/zinc/88/77/16/1016887716.db2.gz JDCQOWQJPQPSGI-ONGXEEELSA-N -1 0 309.322 -0.200 20 0 DBADRM O=S(=O)(NCCOCCF)c1cccnc1-c1nnn[n-]1 ZINC001593440007 1016887931 /nfs/dbraw/zinc/88/79/31/1016887931.db2.gz XBLMIMZWKJJNOT-UHFFFAOYSA-N -1 0 316.318 -0.474 20 0 DBADRM C[C@H](O)C[C@H]1COCCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001593447435 1016889881 /nfs/dbraw/zinc/88/98/81/1016889881.db2.gz IQIDEZYLJFMSOZ-AAEUAGOBSA-N -1 0 314.382 -0.219 20 0 DBADRM O=S(=O)(NCCn1ccnc1)c1cccnc1-c1nnn[n-]1 ZINC001593440127 1016888527 /nfs/dbraw/zinc/88/85/27/1016888527.db2.gz GWWFEISRBUVAHZ-UHFFFAOYSA-N -1 0 320.338 -0.563 20 0 DBADRM C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC001593448760 1016889301 /nfs/dbraw/zinc/88/93/01/1016889301.db2.gz UJIIPERMUPDNGY-VHSXEESVSA-N -1 0 310.372 -0.891 20 0 DBADRM C[C@@H](O)CCN(C)C(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001593448238 1016889896 /nfs/dbraw/zinc/88/98/96/1016889896.db2.gz QPSGHQWAMCYJPL-QMTHXVAHSA-N -1 0 300.355 -0.071 20 0 DBADRM C[C@@H](O)CN(C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)C1CC1 ZINC001593446910 1016889612 /nfs/dbraw/zinc/88/96/12/1016889612.db2.gz NPGDLOMOGLYVKD-NPNZPCOPSA-N -1 0 324.377 -0.026 20 0 DBADRM CCCN(CCNC(=O)c1ccnn1C)Cc1n[nH]c(=O)[n-]1 ZINC001418701267 1004583090 /nfs/dbraw/zinc/58/30/90/1004583090.db2.gz CBGIDEISBNUODW-UHFFFAOYSA-N -1 0 307.358 -0.114 20 0 DBADRM C[C@H](O)CCN(C)C(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001593447758 1016889997 /nfs/dbraw/zinc/88/99/97/1016889997.db2.gz MBLWOFREHKXCEP-WHXUTIOJSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCOC[C@@H]1C[C@@H](C)O)C(=O)[O-] ZINC001593448800 1016890064 /nfs/dbraw/zinc/89/00/64/1016890064.db2.gz VCESBZDBBKEOPG-MDZLAQPJSA-N -1 0 302.371 -0.317 20 0 DBADRM C[C@@H](O)C[C@H]1COCCN1C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001593448828 1016890309 /nfs/dbraw/zinc/89/03/09/1016890309.db2.gz VJHQRZIYWMNDBN-RMPHRYRLSA-N -1 0 301.339 -0.137 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)C1CC1 ZINC001593446908 1016890515 /nfs/dbraw/zinc/89/05/15/1016890515.db2.gz NPGDLOMOGLYVKD-HYZGHFONSA-N -1 0 324.377 -0.026 20 0 DBADRM C[C@@H](O)CN(C)C(=O)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001593456273 1016890812 /nfs/dbraw/zinc/89/08/12/1016890812.db2.gz AVYDXJSGBDZWSP-SNVBAGLBSA-N -1 0 308.334 -0.117 20 0 DBADRM O=S(=O)(c1cccnc1-c1nnn[n-]1)N1CC(O)(C2CC2)C1 ZINC001593458134 1016891035 /nfs/dbraw/zinc/89/10/35/1016891035.db2.gz ZWCCCZHHWZKMIV-UHFFFAOYSA-N -1 0 322.350 -0.593 20 0 DBADRM C[C@H](O)CN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)[C@@H](C)CO ZINC001593457106 1016891772 /nfs/dbraw/zinc/89/17/72/1016891772.db2.gz QPJWYBWTULRXHD-FIQHERPVSA-N -1 0 303.355 -0.011 20 0 DBADRM C[C@H](O)CN(CC(=O)Nc1cccc(C(=O)[O-])n1)[C@@H](C)CO ZINC001593459880 1016891950 /nfs/dbraw/zinc/89/19/50/1016891950.db2.gz UBUQSHDBJCRDNW-UWVGGRQHSA-N -1 0 311.338 -0.218 20 0 DBADRM NC(=O)C1(O)CN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC001418772458 1004633657 /nfs/dbraw/zinc/63/36/57/1004633657.db2.gz VBGFFHIQBMFXME-UHFFFAOYSA-N -1 0 302.290 -0.750 20 0 DBADRM C[C@H](O)CN1CCN([C@@H]2CCCN(CCC(=O)[O-])C2=O)CC1 ZINC001593461809 1016894248 /nfs/dbraw/zinc/89/42/48/1016894248.db2.gz BUVBQIIEVQYAKJ-QWHCGFSZSA-N -1 0 313.398 -0.550 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)CC1 ZINC001593463475 1016894319 /nfs/dbraw/zinc/89/43/19/1016894319.db2.gz VKSJPLPJLBUIHP-NSHDSACASA-N -1 0 323.349 -0.929 20 0 DBADRM O=S(=O)(c1cncc(-c2nn[nH]n2)c1)N1CC(O)(C2CC2)C1 ZINC001593460909 1016894505 /nfs/dbraw/zinc/89/45/05/1016894505.db2.gz JNSRVCHIZPXPSI-UHFFFAOYSA-N -1 0 322.350 -0.593 20 0 DBADRM O=C1N=NCN1C1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001593492714 1016897845 /nfs/dbraw/zinc/89/78/45/1016897845.db2.gz WHIBASYIKZHPHP-UHFFFAOYSA-N -1 0 314.313 -0.205 20 0 DBADRM C[C@@H](O)c1ncc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])s1 ZINC001593482096 1016897896 /nfs/dbraw/zinc/89/78/96/1016897896.db2.gz OTAQRHCJRMAFEJ-RNFRBKRXSA-N -1 0 313.335 -0.388 20 0 DBADRM Cn1cc([C@@H]2C[C@H]2C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cn1 ZINC001418864111 1004692234 /nfs/dbraw/zinc/69/22/34/1004692234.db2.gz QWBDGRQAHFCNNG-HBNTYKKESA-N -1 0 303.326 -0.363 20 0 DBADRM CN(C)c1cnc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)cn1 ZINC001418863684 1004692480 /nfs/dbraw/zinc/69/24/80/1004692480.db2.gz NSQXCNQOIHSCTP-VIFPVBQESA-N -1 0 304.314 -0.731 20 0 DBADRM CN(C)c1cnc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cn1 ZINC001418863679 1004692622 /nfs/dbraw/zinc/69/26/22/1004692622.db2.gz NSQXCNQOIHSCTP-SECBINFHSA-N -1 0 304.314 -0.731 20 0 DBADRM O=C(c1cnc2n1CCOC2)N1CCOC[C@H]1c1nnn[n-]1 ZINC001418861939 1004692886 /nfs/dbraw/zinc/69/28/86/1004692886.db2.gz BMHVIKSGDFRRBU-VIFPVBQESA-N -1 0 305.298 -0.860 20 0 DBADRM COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001418897518 1004704196 /nfs/dbraw/zinc/70/41/96/1004704196.db2.gz SECQOZYNRIOOHU-QTTZVWFDSA-N -1 0 312.282 -0.925 20 0 DBADRM O=c1[n-]c([C@H]2CCCN(c3nccnc3-c3nn[nH]n3)C2)n[nH]1 ZINC001593498044 1016900791 /nfs/dbraw/zinc/90/07/91/1016900791.db2.gz PRUIFDDXKRAHCY-ZETCQYMHSA-N -1 0 314.313 -0.136 20 0 DBADRM Cc1cc(COCC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001418978636 1004744525 /nfs/dbraw/zinc/74/45/25/1004744525.db2.gz NAINYLVYBOGKJK-UHFFFAOYSA-N -1 0 322.325 -0.676 20 0 DBADRM C[C@H](OC(=O)CC1(n2cnnn2)CCOCC1)C(=O)C(=O)[O-] ZINC001593517542 1016903800 /nfs/dbraw/zinc/90/38/00/1016903800.db2.gz VSJNELIOSWAKLY-QMMMGPOBSA-N -1 0 312.282 -0.846 20 0 DBADRM Cn1cc(CC(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001419010319 1004761212 /nfs/dbraw/zinc/76/12/12/1004761212.db2.gz LQHIUYWERFRODR-UHFFFAOYSA-N -1 0 305.342 -0.966 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1COc2ccccc2O1)C(=O)NCC(=O)[O-] ZINC001593512796 1016905172 /nfs/dbraw/zinc/90/51/72/1016905172.db2.gz BPYULMQWZCRXDX-KCJUWKMLSA-N -1 0 309.274 -0.041 20 0 DBADRM C[C@@H](OC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)NCC(=O)[O-] ZINC001593513387 1016905185 /nfs/dbraw/zinc/90/51/85/1016905185.db2.gz FBPMHVOJVSACGG-HTQZYQBOSA-N -1 0 310.310 -0.948 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCC1CN(CCF)C1 ZINC001419027445 1004774707 /nfs/dbraw/zinc/77/47/07/1004774707.db2.gz ZROYIFLRJILMOW-UHFFFAOYSA-N -1 0 301.322 -0.513 20 0 DBADRM C[C@H](OC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)NCC(=O)[O-] ZINC001593513394 1016905395 /nfs/dbraw/zinc/90/53/95/1016905395.db2.gz FBPMHVOJVSACGG-JGVFFNPUSA-N -1 0 310.310 -0.948 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CC[C@H](c3nnn[n-]3)C2)c(=O)n1 ZINC001419043522 1004782735 /nfs/dbraw/zinc/78/27/35/1004782735.db2.gz PMNCXLLXTXELDQ-JTQLQIEISA-N -1 0 303.326 -0.611 20 0 DBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001419045266 1004783096 /nfs/dbraw/zinc/78/30/96/1004783096.db2.gz YUKXBCRIPLNZOD-QMTHXVAHSA-N -1 0 318.337 -0.872 20 0 DBADRM C[C@H](OC(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)C(=O)[O-] ZINC001593516661 1016906257 /nfs/dbraw/zinc/90/62/57/1016906257.db2.gz UXPFHXQXXUKMSF-QMMMGPOBSA-N -1 0 321.351 -0.367 20 0 DBADRM C[C@H](OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)C(=O)[O-] ZINC001593528564 1016907413 /nfs/dbraw/zinc/90/74/13/1016907413.db2.gz YIKWQNZRSGWKTE-DAZKTRTLSA-N -1 0 312.278 -0.708 20 0 DBADRM OCC[C@H](Nc1ccnc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001593528575 1016909566 /nfs/dbraw/zinc/90/95/66/1016909566.db2.gz JBBABWGEERXYSM-JTQLQIEISA-N -1 0 305.342 -0.332 20 0 DBADRM CCN(C(=O)Cn1ccnc1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001419160792 1004823685 /nfs/dbraw/zinc/82/36/85/1004823685.db2.gz JIKOEIPQRVQPFW-LLVKDONJSA-N -1 0 319.369 -0.170 20 0 DBADRM O=C(COc1cccnc1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001419179543 1004827455 /nfs/dbraw/zinc/82/74/55/1004827455.db2.gz GRIDWAVGADDUPO-SNVBAGLBSA-N -1 0 318.337 -0.325 20 0 DBADRM OC[C@H](CNc1ccnc(-c2nnn[n-]2)n1)Cc1ccco1 ZINC001593525372 1016910545 /nfs/dbraw/zinc/91/05/45/1016910545.db2.gz UKNTWOYZQOWRIV-VIFPVBQESA-N -1 0 301.310 -0.065 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)CCc2nnn[n-]2)CC12COC2 ZINC001419310986 1004855133 /nfs/dbraw/zinc/85/51/33/1004855133.db2.gz QOQUJKXUIFYRNM-SECBINFHSA-N -1 0 309.326 -0.830 20 0 DBADRM C[C@H](OC(=O)CN1CCN(c2ccccn2)CC1)C(=O)C(=O)[O-] ZINC001593534274 1016914373 /nfs/dbraw/zinc/91/43/73/1016914373.db2.gz UKDALGPAXHKSAD-NSHDSACASA-N -1 0 321.333 -0.211 20 0 DBADRM CCO[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)C1CC1 ZINC001419469652 1004881342 /nfs/dbraw/zinc/88/13/42/1004881342.db2.gz FQEIHUVMBPHFAA-NTZNESFSSA-N -1 0 323.397 -0.340 20 0 DBADRM CS[C@H](C)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001419547544 1004897203 /nfs/dbraw/zinc/89/72/03/1004897203.db2.gz ASEXDDCFGBRSGN-RKDXNWHRSA-N -1 0 315.399 -0.421 20 0 DBADRM CS[C@@H](C)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001419547542 1004897670 /nfs/dbraw/zinc/89/76/70/1004897670.db2.gz ASEXDDCFGBRSGN-IUCAKERBSA-N -1 0 315.399 -0.421 20 0 DBADRM COC[C@@H](NC(=O)CCC(=O)c1cnn(C)c1)c1nnn[n-]1 ZINC001419551955 1004898214 /nfs/dbraw/zinc/89/82/14/1004898214.db2.gz JEDLQPUXEITVRF-SECBINFHSA-N -1 0 307.314 -0.600 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001419558101 1004899740 /nfs/dbraw/zinc/89/97/40/1004899740.db2.gz VEGBVKKBQDXZCP-NXEZZACHSA-N -1 0 313.358 -0.748 20 0 DBADRM COC[C@@H](NC(=O)c1cn2c(n1)C[C@@H](OC)CC2)c1nnn[n-]1 ZINC001419556910 1004899777 /nfs/dbraw/zinc/89/97/77/1004899777.db2.gz RMZBBMKTLDDXHC-WCBMZHEXSA-N -1 0 321.341 -0.525 20 0 DBADRM C[C@@H](OC(=O)[C@H](C)NC(=O)c1ccccc1)C(=O)NCC(=O)[O-] ZINC001593548273 1016918132 /nfs/dbraw/zinc/91/81/32/1016918132.db2.gz VGPCCULHNFEHNS-VHSXEESVSA-N -1 0 322.317 -0.063 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001419589681 1004913069 /nfs/dbraw/zinc/91/30/69/1004913069.db2.gz KDYABYAWUANZSC-ONGXEEELSA-N -1 0 324.385 -0.494 20 0 DBADRM C[C@H](OC(=O)Cn1c(=O)oc2ccccc21)C(=O)NCC(=O)[O-] ZINC001593541397 1016919417 /nfs/dbraw/zinc/91/94/17/1016919417.db2.gz DQNAWEFSURKJPI-QMMMGPOBSA-N -1 0 322.273 -0.273 20 0 DBADRM C[C@@H](OC(=O)Cn1nnc2ccccc2c1=O)C(=O)C(=O)[O-] ZINC001593541197 1016920104 /nfs/dbraw/zinc/92/01/04/1016920104.db2.gz AVTMZWOXTKQGOZ-SSDOTTSWSA-N -1 0 305.246 -0.623 20 0 DBADRM C[C@@H](OC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)NC1CCCC1 ZINC001593541235 1016920197 /nfs/dbraw/zinc/92/01/97/1016920197.db2.gz BRRJUVAKATXVGJ-MRVPVSSYSA-N -1 0 310.310 -0.033 20 0 DBADRM c1ccc(-c2n[nH]c(CNc3ccnc(-c4nnn[n-]4)n3)n2)nc1 ZINC001593567834 1016926260 /nfs/dbraw/zinc/92/62/60/1016926260.db2.gz VOZRCCVQJSXYCC-UHFFFAOYSA-N -1 0 321.308 -0.129 20 0 DBADRM c1cc(N2CCC[C@H]2CN2CCOCC2)nc(-c2nnn[n-]2)n1 ZINC001593558283 1016922680 /nfs/dbraw/zinc/92/26/80/1016922680.db2.gz AXGQRYCTDSDJTF-NSHDSACASA-N -1 0 316.369 -0.042 20 0 DBADRM C[C@@H](OCC1CC1)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001593603713 1016929216 /nfs/dbraw/zinc/92/92/16/1016929216.db2.gz DIIKDKIDHGXLAR-SCZZXKLOSA-N -1 0 305.352 -0.488 20 0 DBADRM C[C@H](OC(=O)c1cnc2c(c1)nnn2C)C(=O)NCC(=O)[O-] ZINC001593597415 1016929385 /nfs/dbraw/zinc/92/93/85/1016929385.db2.gz XFBCLDZVLWMZLP-LURJTMIESA-N -1 0 307.266 -0.891 20 0 DBADRM C[C@H](OC(=O)c1ccnc2c1ncn2C)C(=O)NCC(=O)[O-] ZINC001593597877 1016929401 /nfs/dbraw/zinc/92/94/01/1016929401.db2.gz POGGDMJTOIZZGW-ZETCQYMHSA-N -1 0 306.278 -0.286 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001593684870 1016932394 /nfs/dbraw/zinc/93/23/94/1016932394.db2.gz DHTBDTBUNLXEOZ-AMXGMDGSSA-N -1 0 300.340 -0.610 20 0 DBADRM C=C1OCCS(=O)(=O)C1C([O-])=Nn1nnc2c1CCCC2 ZINC001420038472 1005058888 /nfs/dbraw/zinc/05/88/88/1005058888.db2.gz CPDKPBXLJWLOEQ-UHFFFAOYSA-N -1 0 312.351 -0.097 20 0 DBADRM CN(CCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ccccn1 ZINC001420057156 1005063724 /nfs/dbraw/zinc/06/37/24/1005063724.db2.gz WSASZOLLWGVNOA-UHFFFAOYSA-N -1 0 320.353 -0.325 20 0 DBADRM C[C@@]1(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)CCOC1 ZINC001593753556 1016937635 /nfs/dbraw/zinc/93/76/35/1016937635.db2.gz DEWOJRCTRTXAQV-CQSZACIVSA-N -1 0 308.338 -0.059 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)C1 ZINC001593783354 1016939681 /nfs/dbraw/zinc/93/96/81/1016939681.db2.gz IOPXIFSRDIUQFQ-ZUZCIYMTSA-N -1 0 320.349 -0.294 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCc3c[nH]nc3C2)C1 ZINC001593783189 1016939957 /nfs/dbraw/zinc/93/99/57/1016939957.db2.gz DWPYXHWSEUQWBE-CQSZACIVSA-N -1 0 306.322 -0.382 20 0 DBADRM CC1(C)[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])[C@@H]2CCO[C@@H]21 ZINC001593832554 1016941069 /nfs/dbraw/zinc/94/10/69/1016941069.db2.gz HMTOCGNKPCQOTE-QGKZMRNZSA-N -1 0 310.350 -0.247 20 0 DBADRM CC1(C)C(=O)NC(=O)N1CC(=O)OCC(=O)CCC(=O)[O-] ZINC001593822613 1016942041 /nfs/dbraw/zinc/94/20/41/1016942041.db2.gz LBOQDNMAWHSDIT-UHFFFAOYSA-N -1 0 300.267 -0.706 20 0 DBADRM CC1(C)[C@@H]2CN(C(=O)C(=O)N3CCC([C@@H](O)C(=O)[O-])CC3)C[C@@H]21 ZINC001593842551 1016942254 /nfs/dbraw/zinc/94/22/54/1016942254.db2.gz PBIQKFCDBZIBKN-GRYCIOLGSA-N -1 0 324.377 -0.215 20 0 DBADRM CC1(C)CCC(=O)N1CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001593871142 1016943062 /nfs/dbraw/zinc/94/30/62/1016943062.db2.gz PNSYXNQQBMZCIS-SNVBAGLBSA-N -1 0 318.395 -0.081 20 0 DBADRM CC1(C)CCC[C@@](NC(=O)CN2CCNCC2=O)(C(=O)[O-])C1 ZINC001593891345 1016943214 /nfs/dbraw/zinc/94/32/14/1016943214.db2.gz JGMLNOOZGWDQRO-HNNXBMFYSA-N -1 0 311.382 -0.042 20 0 DBADRM Cc1ncoc1CN(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001420257894 1005175457 /nfs/dbraw/zinc/17/54/57/1005175457.db2.gz DZFXPPLMZYVEOZ-UHFFFAOYSA-N -1 0 308.298 -0.559 20 0 DBADRM COc1cccnc1CC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC001420280085 1005185113 /nfs/dbraw/zinc/18/51/13/1005185113.db2.gz DAFJUXDLZQLBFP-UHFFFAOYSA-N -1 0 320.353 -0.295 20 0 DBADRM C[C@@]1(CC(=O)Nc2ccnc(C(=O)[O-])n2)CCS(=O)(=O)N1 ZINC001593998563 1016946269 /nfs/dbraw/zinc/94/62/69/1016946269.db2.gz SYJCNFMRGZOXKT-NSHDSACASA-N -1 0 314.323 -0.993 20 0 DBADRM CC1(CC(=O)N2CC(O)(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CC1 ZINC001593996021 1016946612 /nfs/dbraw/zinc/94/66/12/1016946612.db2.gz FCSHTGQOBVJKGG-UWVGGRQHSA-N -1 0 310.350 -0.413 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC001593998942 1016947144 /nfs/dbraw/zinc/94/71/44/1016947144.db2.gz SXGNHOTVSVMXAO-UHFFFAOYSA-N -1 0 306.278 -0.096 20 0 DBADRM C[C@@]1(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCS(=O)(=O)N1 ZINC001593995943 1016947327 /nfs/dbraw/zinc/94/73/27/1016947327.db2.gz BLSZBYPXHRUJIU-CABZTGNLSA-N -1 0 320.367 -0.840 20 0 DBADRM C[C@@]1(C2CC2)CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCO1 ZINC001593991560 1016947343 /nfs/dbraw/zinc/94/73/43/1016947343.db2.gz JULZNQVVKUFSJP-ZSGNIPIJSA-N -1 0 310.350 -0.007 20 0 DBADRM C[C@]1(C2CCN(c3cncc(C(=O)[O-])n3)CC2)NC(=O)NC1=O ZINC001593994085 1016947458 /nfs/dbraw/zinc/94/74/58/1016947458.db2.gz HKOBWGHIKJLTIK-CQSZACIVSA-N -1 0 319.321 -0.011 20 0 DBADRM CC1(C)OC[C@@H]2C[C@@]21NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001593978035 1016947604 /nfs/dbraw/zinc/94/76/04/1016947604.db2.gz WFRSQWKBGHXWIA-AMJWSMQMSA-N -1 0 310.350 -0.007 20 0 DBADRM CC1(O)CCN(c2cc(N3CC(O)(C(=O)[O-])C3)ncn2)CC1 ZINC001594068322 1016955368 /nfs/dbraw/zinc/95/53/68/1016955368.db2.gz IEKDOQJOWSRSAV-UHFFFAOYSA-N -1 0 308.338 -0.537 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC2(CNC(=O)O2)CC1 ZINC001420323609 1005214582 /nfs/dbraw/zinc/21/45/82/1005214582.db2.gz FTNJFPPHGTXQSF-UHFFFAOYSA-N -1 0 313.339 -0.297 20 0 DBADRM C[C@]1(CCNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C[C@]1(F)Cl ZINC001594007151 1016950260 /nfs/dbraw/zinc/95/02/60/1016950260.db2.gz VOYGPMZAGJQBJI-CMPLNLGQSA-N -1 0 322.720 -0.535 20 0 DBADRM C[C@]1(CCCO)CCCN1C(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001594007429 1016950409 /nfs/dbraw/zinc/95/04/09/1016950409.db2.gz ZZRMRVQVKXNMMP-TVQRCGJNSA-N -1 0 304.318 -0.321 20 0 DBADRM C[C@@]1(CO)C[C@@H](O)CN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001594032288 1016950449 /nfs/dbraw/zinc/95/04/49/1016950449.db2.gz NWQDTDOCOWTNJX-LDWIPMOCSA-N -1 0 322.364 -0.652 20 0 DBADRM C[C@]1(CO)C[C@H](O)CN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001594033120 1016951482 /nfs/dbraw/zinc/95/14/82/1016951482.db2.gz VIEHIIHDXKPNMH-JOYOIKCWSA-N -1 0 316.335 -0.714 20 0 DBADRM C[C@]1(CO)C[C@@H](O)CN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001594033118 1016951624 /nfs/dbraw/zinc/95/16/24/1016951624.db2.gz VIEHIIHDXKPNMH-BXKDBHETSA-N -1 0 316.335 -0.714 20 0 DBADRM C[C@@]1(CO)C[C@@H](O)CN1S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001594032619 1016951746 /nfs/dbraw/zinc/95/17/46/1016951746.db2.gz RCEOSQWWVIFETH-PELKAZGASA-N -1 0 316.335 -0.714 20 0 DBADRM C[C@]1(CO)C[C@@H](O)CN1S(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001594032674 1016952464 /nfs/dbraw/zinc/95/24/64/1016952464.db2.gz RPUDUKJHZHJOII-SPGNQXPMSA-N -1 0 321.395 -0.223 20 0 DBADRM CC1(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCN(C(=O)c2cnon2)CC1 ZINC001594052921 1016953273 /nfs/dbraw/zinc/95/32/73/1016953273.db2.gz PUHQGMFEKNTKNM-RKDXNWHRSA-N -1 0 322.321 -0.099 20 0 DBADRM CC1(Cn2cc(C(=O)Nc3c[nH]nc3C(=O)[O-])nn2)COC1 ZINC001594043063 1016953747 /nfs/dbraw/zinc/95/37/47/1016953747.db2.gz CDTOTKISQOYGTE-UHFFFAOYSA-N -1 0 306.282 -0.012 20 0 DBADRM CC1(Cn2cc(C(=O)N3CCC(O)(C(=O)[O-])CC3)nn2)COC1 ZINC001594043814 1016953957 /nfs/dbraw/zinc/95/39/57/1016953957.db2.gz REASRELNRFLNRY-UHFFFAOYSA-N -1 0 324.337 -0.634 20 0 DBADRM C[C@]1(CO)C[C@@H](O)CN1C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001594033539 1016954184 /nfs/dbraw/zinc/95/41/84/1016954184.db2.gz YNEOVFBVCFBHAQ-FBKDDSFISA-N -1 0 301.339 -0.257 20 0 DBADRM C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001420449213 1005263480 /nfs/dbraw/zinc/26/34/80/1005263480.db2.gz XZGBJLXUVCOKHE-NDMJEZRESA-N -1 0 323.397 -0.482 20 0 DBADRM C[C@]1(NS(=O)(=O)[C@@H]2COC[C@H]2O)CCCC[C@H]1C(=O)[O-] ZINC001594062327 1016955017 /nfs/dbraw/zinc/95/50/17/1016955017.db2.gz ZLJYXUUUMIRPHE-XNDJQWLSSA-N -1 0 307.368 -0.301 20 0 DBADRM C[C@]1(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)CCC(=O)N1 ZINC001594030461 1016949199 /nfs/dbraw/zinc/94/91/99/1016949199.db2.gz RVJBETXEUSDKAK-LLVKDONJSA-N -1 0 302.308 -0.075 20 0 DBADRM Cc1nc(CNC[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)co1 ZINC001420497297 1005279530 /nfs/dbraw/zinc/27/95/30/1005279530.db2.gz GTGJWTYIAHQPIQ-ZETCQYMHSA-N -1 0 310.314 -0.720 20 0 DBADRM COc1cccc([C@H](O)CNC(=O)c2cn(CC(=O)[O-])nn2)c1 ZINC001594123930 1016958778 /nfs/dbraw/zinc/95/87/78/1016958778.db2.gz KSDSPIVYKWGNCR-GFCCVEGCSA-N -1 0 320.305 -0.165 20 0 DBADRM COc1cccc(-n2cc(C(=O)NC[C@@](C)(O)C(=O)[O-])nn2)c1 ZINC001594120669 1016959130 /nfs/dbraw/zinc/95/91/30/1016959130.db2.gz CMXYZYKDAOINRI-CQSZACIVSA-N -1 0 320.305 -0.159 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001594120840 1016959195 /nfs/dbraw/zinc/95/91/95/1016959195.db2.gz YXVIDBZKFWGFNZ-SSDOTTSWSA-N -1 0 303.340 -0.300 20 0 DBADRM COc1cccc(-n2cc(C(=O)NC[C@](C)(O)C(=O)[O-])nn2)c1 ZINC001594120667 1016959595 /nfs/dbraw/zinc/95/95/95/1016959595.db2.gz CMXYZYKDAOINRI-AWEZNQCLSA-N -1 0 320.305 -0.159 20 0 DBADRM CC1=NO[C@@](C)(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)C1 ZINC001594119438 1016959786 /nfs/dbraw/zinc/95/97/86/1016959786.db2.gz SHHTXRIIUZNQTB-XXILOJSOSA-N -1 0 318.351 -0.455 20 0 DBADRM CC(C)[C@H](C)C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001496593103 1016961022 /nfs/dbraw/zinc/96/10/22/1016961022.db2.gz MPOUOGHOEQSDCN-QMMMGPOBSA-N -1 0 311.342 -0.237 20 0 DBADRM COc1cccc(C[C@@H](O)C(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC001594125943 1016960856 /nfs/dbraw/zinc/96/08/56/1016960856.db2.gz AXKCTODVWBXQQS-IUODEOHRSA-N -1 0 309.318 -0.042 20 0 DBADRM CCCN(CCNC(=O)C[C@@H]1CCNC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001420590417 1005313907 /nfs/dbraw/zinc/31/39/07/1005313907.db2.gz JIVCMZCNAXUENV-JTQLQIEISA-N -1 0 324.385 -0.635 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001420600906 1005316420 /nfs/dbraw/zinc/31/64/20/1005316420.db2.gz KZHAOCQOLGTBSM-NXEZZACHSA-N -1 0 324.385 -0.685 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001420600909 1005317327 /nfs/dbraw/zinc/31/73/27/1005317327.db2.gz KZHAOCQOLGTBSM-UWVGGRQHSA-N -1 0 324.385 -0.685 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N(C)CC(C)(C)CO ZINC001594134649 1016962236 /nfs/dbraw/zinc/96/22/36/1016962236.db2.gz BOXFFSKWHWYMIC-ZJUUUORDSA-N -1 0 300.355 -0.215 20 0 DBADRM CC(C)[C@@H](C)C(=O)NCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001496593095 1016962222 /nfs/dbraw/zinc/96/22/22/1016962222.db2.gz MPOUOGHOEQSDCN-MRVPVSSYSA-N -1 0 311.342 -0.237 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCOC(F)(F)F ZINC001594136917 1016962249 /nfs/dbraw/zinc/96/22/49/1016962249.db2.gz AJLCKLJOVXFZBT-RQJHMYQMSA-N -1 0 312.244 -0.039 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@]1(F)CCOC1 ZINC001420617696 1005322127 /nfs/dbraw/zinc/32/21/27/1005322127.db2.gz WJOJZASDJFQVGG-QPUJVOFHSA-N -1 0 301.322 -0.425 20 0 DBADRM CC1(O)CC(C(=O)N2CCN(c3ccc(C(=O)[O-])nn3)CC2)C1 ZINC001594065258 1016956476 /nfs/dbraw/zinc/95/64/76/1016956476.db2.gz RPCMYWGBGITJCZ-UHFFFAOYSA-N -1 0 320.349 -0.016 20 0 DBADRM C[C@]1(c2cccc(C(=O)N[C@@H](CF)C(=O)[O-])c2)NC(=O)NC1=O ZINC001594074685 1016956487 /nfs/dbraw/zinc/95/64/87/1016956487.db2.gz YOATYWBLKZLQDV-LKFCYVNXSA-N -1 0 323.280 -0.106 20 0 DBADRM CC1=C(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)Cn2nnnc2N1C ZINC001594090389 1016956579 /nfs/dbraw/zinc/95/65/79/1016956579.db2.gz LJNICLBRCCVOLA-DTWKUNHWSA-N -1 0 306.326 -0.282 20 0 DBADRM CCn1ncc(C(=O)NCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)n1 ZINC001420662770 1005335607 /nfs/dbraw/zinc/33/56/07/1005335607.db2.gz WYQBZRIUARZGPS-UHFFFAOYSA-N -1 0 320.357 -0.484 20 0 DBADRM Cc1cc(CN(C)C[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)no1 ZINC001420669902 1005336243 /nfs/dbraw/zinc/33/62/43/1005336243.db2.gz XJXQMOQTIODMJA-MRVPVSSYSA-N -1 0 324.341 -0.378 20 0 DBADRM CC1=C(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])C(=O)OC1(C)C ZINC001594092153 1016957427 /nfs/dbraw/zinc/95/74/27/1016957427.db2.gz MDTSJTDGLSTGGW-QMMMGPOBSA-N -1 0 308.294 -0.501 20 0 DBADRM CC1=C(C(=O)N2CCO[C@H](CC(=O)[O-])C2)S(=O)(=O)CCO1 ZINC001594092493 1016957654 /nfs/dbraw/zinc/95/76/54/1016957654.db2.gz ULDSKPWGYMEKTK-SECBINFHSA-N -1 0 319.335 -0.635 20 0 DBADRM COc1cccc([C@@H](O)C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC001594123225 1016958253 /nfs/dbraw/zinc/95/82/53/1016958253.db2.gz GIOXGEKYYUHCAW-GFCCVEGCSA-N -1 0 322.317 -0.516 20 0 DBADRM C[C@@H]1C(=O)NCCN1S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001594130274 1016962836 /nfs/dbraw/zinc/96/28/36/1016962836.db2.gz QFUWFLFDTVJYEN-BBBLOLIVSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001594127336 1016962871 /nfs/dbraw/zinc/96/28/71/1016962871.db2.gz YYCRCTJDUZPOAL-IVZWLZJFSA-N -1 0 311.338 -0.798 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC001594137781 1016964214 /nfs/dbraw/zinc/96/42/14/1016964214.db2.gz GBCQDIRIKNEWRC-KXUCPTDWSA-N -1 0 311.338 -0.955 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@H](C(C)(C)O)C1 ZINC001594138246 1016965754 /nfs/dbraw/zinc/96/57/54/1016965754.db2.gz IXUAVSAERLYHMD-OUAUKWLOSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@H](CCCO)C1 ZINC001594138083 1016966085 /nfs/dbraw/zinc/96/60/85/1016966085.db2.gz GVIXFCUMLYIGHT-WOPDTQHZSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001594147372 1016967094 /nfs/dbraw/zinc/96/70/94/1016967094.db2.gz MIXVLQMELDKOKD-UWVGGRQHSA-N -1 0 304.368 -0.962 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC001594142833 1016967330 /nfs/dbraw/zinc/96/73/30/1016967330.db2.gz WTYBJNGSIKOCFZ-WCBMZHEXSA-N -1 0 307.306 -0.355 20 0 DBADRM COc1cccn2c(=O)n(CN3CCO[C@H](C(=O)[O-])C3)nc12 ZINC001594148446 1016968504 /nfs/dbraw/zinc/96/85/04/1016968504.db2.gz UZWPZZDHTZLUSX-JTQLQIEISA-N -1 0 308.294 -0.753 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@H](n2cccn2)C1 ZINC001594140495 1016968744 /nfs/dbraw/zinc/96/87/44/1016968744.db2.gz YITFQQZGBZYYJO-UTUOFQBUSA-N -1 0 320.349 -0.022 20 0 DBADRM CS(=O)(=O)C1(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)CCC1 ZINC001594164655 1016972608 /nfs/dbraw/zinc/97/26/08/1016972608.db2.gz VRAQKYLCHKEWFZ-VIFPVBQESA-N -1 0 320.367 -0.551 20 0 DBADRM CS(=O)(=O)C1(C(=O)O[C@H](C(=O)[O-])C2CC2)CCOCC1 ZINC001594162732 1016970050 /nfs/dbraw/zinc/97/00/50/1016970050.db2.gz VSSNOUYQQITWNL-VIFPVBQESA-N -1 0 306.336 -0.013 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001594161105 1016970410 /nfs/dbraw/zinc/97/04/10/1016970410.db2.gz KSKFESLFNIZUJZ-QMMMGPOBSA-N -1 0 312.326 -0.017 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001594160812 1016970637 /nfs/dbraw/zinc/97/06/37/1016970637.db2.gz BSUBWYJWFBNJOJ-UHFFFAOYSA-N -1 0 310.310 -0.310 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001594163585 1016971012 /nfs/dbraw/zinc/97/10/12/1016971012.db2.gz FIVUNLKZNPUGKQ-BXKDBHETSA-N -1 0 305.352 -0.344 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C1 ZINC001594163588 1016971228 /nfs/dbraw/zinc/97/12/28/1016971228.db2.gz FIVUNLKZNPUGKQ-JOYOIKCWSA-N -1 0 305.352 -0.344 20 0 DBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC001594156642 1016971261 /nfs/dbraw/zinc/97/12/61/1016971261.db2.gz NRDLHFACPSBUGA-IUCAKERBSA-N -1 0 324.341 -0.307 20 0 DBADRM COc1ncc(/C=C/C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cn1 ZINC001594157201 1016971530 /nfs/dbraw/zinc/97/15/30/1016971530.db2.gz NVCMWZDHFPZGES-NSCUHMNNSA-N -1 0 320.305 -0.746 20 0 DBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001594163664 1016972653 /nfs/dbraw/zinc/97/26/53/1016972653.db2.gz IQDGRAPMQWQFRV-CBAPKCEASA-N -1 0 304.324 -0.891 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(C(=O)[C@H](C(=O)[O-])C2CC2)CCO1 ZINC001594165338 1016973743 /nfs/dbraw/zinc/97/37/43/1016973743.db2.gz PRWUNYRNAWNFRA-NXEZZACHSA-N -1 0 305.352 -0.631 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCCN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC001594163695 1016973779 /nfs/dbraw/zinc/97/37/79/1016973779.db2.gz GWQFRHWMVVPFJT-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM CS(=O)(=O)CCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594165412 1016973835 /nfs/dbraw/zinc/97/38/35/1016973835.db2.gz SFCAAQKYUDVVQV-VIFPVBQESA-N -1 0 320.367 -0.997 20 0 DBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001594164576 1016973947 /nfs/dbraw/zinc/97/39/47/1016973947.db2.gz YYKMZYBLYJURKS-QMMMGPOBSA-N -1 0 319.364 -0.332 20 0 DBADRM CS(=O)(=O)CCCC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594165299 1016974076 /nfs/dbraw/zinc/97/40/76/1016974076.db2.gz OQHHMPPZAZGMGR-CABZTGNLSA-N -1 0 305.352 -0.629 20 0 DBADRM CS(=O)(=O)[C@@H]1CCCCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001594164019 1016974177 /nfs/dbraw/zinc/97/41/77/1016974177.db2.gz KPQJFMWOXOPORZ-WDEREUQCSA-N -1 0 318.395 -0.224 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@](O)(C2CC2)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597983369 1017224767 /nfs/dbraw/zinc/22/47/67/1017224767.db2.gz SHPDXYYLCOLIFH-BPYAMOTFSA-N -1 0 310.350 -0.319 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1nnnn1CCO[C@@H]1CCOC1 ZINC001594175036 1016978940 /nfs/dbraw/zinc/97/89/40/1016978940.db2.gz VALWIUZUCWLETB-GMTAPVOTSA-N -1 0 311.342 -0.222 20 0 DBADRM CS(=O)(=O)NCC1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC001594170299 1016975739 /nfs/dbraw/zinc/97/57/39/1016975739.db2.gz KFTIDUZCRZGZFS-UHFFFAOYSA-N -1 0 324.424 -0.408 20 0 DBADRM CS(=O)(=O)Cc1noc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])n1 ZINC001594168753 1016976581 /nfs/dbraw/zinc/97/65/81/1016976581.db2.gz YQRRSWNRGCOBKV-PHDIDXHHSA-N -1 0 303.296 -0.337 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001594167998 1016976611 /nfs/dbraw/zinc/97/66/11/1016976611.db2.gz MUFLOCNYQXFDAS-CABZTGNLSA-N -1 0 320.367 -0.982 20 0 DBADRM CS(=O)(=O)CCOCCNC(=O)C1(C(=O)[O-])CCOCC1 ZINC001594168835 1016976657 /nfs/dbraw/zinc/97/66/57/1016976657.db2.gz YVQQZLVSBHEFFE-UHFFFAOYSA-N -1 0 323.367 -0.955 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](COC(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC001594169702 1016976740 /nfs/dbraw/zinc/97/67/40/1016976740.db2.gz GOOBJDKBAHQGAV-PSASIEDQSA-N -1 0 305.352 -0.078 20 0 DBADRM CS(=O)(=O)N1CCC(CC(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC001594168310 1016977245 /nfs/dbraw/zinc/97/72/45/1016977245.db2.gz PJXNVTZFCHTIJY-NSHDSACASA-N -1 0 318.395 -0.019 20 0 DBADRM CS(=O)(=O)NCC1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001594170278 1016977366 /nfs/dbraw/zinc/97/73/66/1016977366.db2.gz JZIOXVQTVPDWOU-NSHDSACASA-N -1 0 318.395 -0.115 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001594178354 1016978058 /nfs/dbraw/zinc/97/80/58/1016978058.db2.gz JVJMRLHLYRWJOS-NRFANRHFSA-N -1 0 314.407 -0.070 20 0 DBADRM C[S@@](=O)CCN1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001594178216 1016978076 /nfs/dbraw/zinc/97/80/76/1016978076.db2.gz HQROOTLNUUWJGT-SUTOTMHJSA-N -1 0 302.396 -0.380 20 0 DBADRM CS(=O)(=O)c1ccc(CNC(=O)COCC(=O)[O-])s1 ZINC001594174805 1016979315 /nfs/dbraw/zinc/97/93/15/1016979315.db2.gz QFEPDSGWZHHFQU-UHFFFAOYSA-N -1 0 307.349 -0.131 20 0 DBADRM C[S@](=O)CCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001594177896 1016979641 /nfs/dbraw/zinc/97/96/41/1016979641.db2.gz GCQBYLPPAHPYEL-FQEVSTJZSA-N -1 0 304.368 -0.806 20 0 DBADRM CSC[C@](C)(O)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001594185789 1016980786 /nfs/dbraw/zinc/98/07/86/1016980786.db2.gz QIVWCZZZYFXEHC-NOZJJQNGSA-N -1 0 318.395 -0.460 20 0 DBADRM CSCC[C@H](NC(=O)C1(CC(=O)[O-])CCOCC1)C(N)=O ZINC001594186658 1016981012 /nfs/dbraw/zinc/98/10/12/1016981012.db2.gz SHFFDCGTXQTORK-VIFPVBQESA-N -1 0 318.395 -0.019 20 0 DBADRM C[S@](=O)[C@H]1CC[C@H](NC(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001594178804 1016981030 /nfs/dbraw/zinc/98/10/30/1016981030.db2.gz NZVPPJHFXRDSQL-VQXVYSPMSA-N -1 0 300.340 -0.608 20 0 DBADRM C[C@H]1[C@@H](CO)CCCN1C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594188418 1016981316 /nfs/dbraw/zinc/98/13/16/1016981316.db2.gz RBHXHEMQNXHVDD-QCNOEVLYSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001594179838 1016981507 /nfs/dbraw/zinc/98/15/07/1016981507.db2.gz RIDMCSLQHIVHCB-BDAKNGLRSA-N -1 0 315.351 -0.385 20 0 DBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001594179057 1016982088 /nfs/dbraw/zinc/98/20/88/1016982088.db2.gz JTPNRCKBYHPVAN-MEZGXGNXSA-N -1 0 316.379 -0.809 20 0 DBADRM C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC001594202616 1016985085 /nfs/dbraw/zinc/98/50/85/1016985085.db2.gz POODLMJEPNXINK-SECBINFHSA-N -1 0 324.341 -0.919 20 0 DBADRM C[S@](=O)C1(CNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC001594178552 1016982151 /nfs/dbraw/zinc/98/21/51/1016982151.db2.gz LISYLUZNRWOEHE-FPVGNUTFSA-N -1 0 316.379 -0.663 20 0 DBADRM CSCC[C@@H]1NC(=O)N(CCS(=O)(=O)CC(=O)[O-])C1=O ZINC001594184355 1016982843 /nfs/dbraw/zinc/98/28/43/1016982843.db2.gz ACLNTIGHXOKRAX-ZETCQYMHSA-N -1 0 324.380 -0.841 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1)C(=O)[O-] ZINC001594199891 1016984470 /nfs/dbraw/zinc/98/44/70/1016984470.db2.gz VWRFFVZWMRXUGH-RDDDGLTNSA-N -1 0 321.289 -0.561 20 0 DBADRM C[C@@H](CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)N(C)C ZINC001594199576 1016984638 /nfs/dbraw/zinc/98/46/38/1016984638.db2.gz UUVJBBCHJFIOOK-VIFPVBQESA-N -1 0 306.384 -0.668 20 0 DBADRM C[C@@H]1C[C@H](C)N(C(=O)C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001594231845 1016990022 /nfs/dbraw/zinc/99/00/22/1016990022.db2.gz VYYNQMHVEOFNHP-ZJUUUORDSA-N -1 0 313.354 -0.660 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001594221582 1016986079 /nfs/dbraw/zinc/98/60/79/1016986079.db2.gz HMEPMNRCZWZNFB-UTINFBMNSA-N -1 0 304.368 -0.520 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NCCOCCO)cc2=O)n1 ZINC001594213295 1016986213 /nfs/dbraw/zinc/98/62/13/1016986213.db2.gz YWXYNOMEJQUUGQ-UHFFFAOYSA-N -1 0 321.337 -0.689 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC001594226109 1016986256 /nfs/dbraw/zinc/98/62/56/1016986256.db2.gz IUAFDBMZCKYCKR-PELKAZGASA-N -1 0 306.384 -0.069 20 0 DBADRM C[C@@H]1C[C@H](C)CN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1 ZINC001594221606 1016986571 /nfs/dbraw/zinc/98/65/71/1016986571.db2.gz QVHGMGQSSMXPQD-WRWGMCAJSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC001594223822 1016986654 /nfs/dbraw/zinc/98/66/54/1016986654.db2.gz PSRDUGZWHKFVNZ-BREBYQMCSA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@@]1(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CCC(=O)N1 ZINC001594231227 1016987847 /nfs/dbraw/zinc/98/78/47/1016987847.db2.gz LTRUINULRSVOGZ-OTYXRUKQSA-N -1 0 311.338 -0.763 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC001594225050 1016988201 /nfs/dbraw/zinc/98/82/01/1016988201.db2.gz VDYCHYQOJXCNSQ-PRFIWBCESA-N -1 0 317.363 -0.488 20 0 DBADRM C[C@@H]1C[C@H](CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CCO1 ZINC001594243884 1016989163 /nfs/dbraw/zinc/98/91/63/1016989163.db2.gz RVDUMUOCAPGIPV-CHWFTXMASA-N -1 0 307.368 -0.037 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1)C(=O)N(C)C ZINC001594233275 1016990339 /nfs/dbraw/zinc/99/03/39/1016990339.db2.gz VGIAVRPVFCJOCW-VHSXEESVSA-N -1 0 313.354 -0.707 20 0 DBADRM C[C@H](NC(=O)CNS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC001594236054 1016990353 /nfs/dbraw/zinc/99/03/53/1016990353.db2.gz MNCKSPPBKZQOBV-ZETCQYMHSA-N -1 0 304.299 -0.307 20 0 DBADRM C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])C1 ZINC001594243769 1016990524 /nfs/dbraw/zinc/99/05/24/1016990524.db2.gz POIQRDMBWMDTOH-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1)C(=O)[O-] ZINC001594232950 1016991079 /nfs/dbraw/zinc/99/10/79/1016991079.db2.gz ITCPNTZAEKDASF-IUCAKERBSA-N -1 0 310.310 -0.553 20 0 DBADRM C[C@H]1C[C@@H](CO)CN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001594243774 1016991242 /nfs/dbraw/zinc/99/12/42/1016991242.db2.gz PTJNJRNLJLQFMQ-WDEREUQCSA-N -1 0 315.370 -0.373 20 0 DBADRM C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1N)C(=O)[O-] ZINC001594235966 1016991274 /nfs/dbraw/zinc/99/12/74/1016991274.db2.gz DMBVLAINTLJKHN-ZETCQYMHSA-N -1 0 301.324 -0.864 20 0 DBADRM C[C@@H]1C[C@H](S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])CCO1 ZINC001594265354 1016995557 /nfs/dbraw/zinc/99/55/57/1016995557.db2.gz BCGHVQYZNQXNOH-DBIOUOCHSA-N -1 0 307.368 -0.206 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)Cn2ccc(C(=O)[O-])n2)CCS1(=O)=O ZINC001594252815 1016993542 /nfs/dbraw/zinc/99/35/42/1016993542.db2.gz JAVZPRMZXUYFAY-RKDXNWHRSA-N -1 0 315.351 -0.337 20 0 DBADRM CC1CC(NC(=O)C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)C1 ZINC001594250584 1016994497 /nfs/dbraw/zinc/99/44/97/1016994497.db2.gz VKJLTYCUEOCJMZ-CXQJBGSLSA-N -1 0 311.382 -0.092 20 0 DBADRM Cc1c(CN(C)C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cnn1C ZINC001594262047 1016995499 /nfs/dbraw/zinc/99/54/99/1016995499.db2.gz PZNNVAYJQFAIAX-HOMQSWHASA-N -1 0 308.338 -0.334 20 0 DBADRM C[C@@H]1CC[C@@H](NC(=O)Cn2cc(C(=O)[O-])nn2)CS1(=O)=O ZINC001594315174 1016999709 /nfs/dbraw/zinc/99/97/09/1016999709.db2.gz VBLUXDGONFJEKY-HTQZYQBOSA-N -1 0 316.339 -0.942 20 0 DBADRM C[C@H]1CC[C@@H](N2C(=O)N[C@H](CCC(=O)[O-])C2=O)CS1(=O)=O ZINC001594309687 1016999837 /nfs/dbraw/zinc/99/98/37/1016999837.db2.gz CJCBOHJHTSDYSO-DJLDLDEBSA-N -1 0 318.351 -0.263 20 0 DBADRM C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN[C@](C)(CO)C(=O)[O-] ZINC001594366571 1016999866 /nfs/dbraw/zinc/99/98/66/1016999866.db2.gz QYDPCQCYGKEYNU-ISTVAULSSA-N -1 0 315.370 -0.184 20 0 DBADRM C[C@@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001594358135 1016999892 /nfs/dbraw/zinc/99/98/92/1016999892.db2.gz VBXJIFHOVJBUMO-XLKFXECMSA-N -1 0 324.337 -0.276 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)O[C@H]1C(=O)[O-] ZINC001594314927 1017000434 /nfs/dbraw/zinc/00/04/34/1017000434.db2.gz SSSIDZDSRCDGII-RCZSTQMZSA-N -1 0 319.379 -0.054 20 0 DBADRM C[C@@H]1CC[C@@H](NS(=O)(=O)CCCC(=O)[O-])CS1(=O)=O ZINC001594326187 1017000452 /nfs/dbraw/zinc/00/04/52/1017000452.db2.gz GKUWISATMCXLSH-RKDXNWHRSA-N -1 0 313.397 -0.264 20 0 DBADRM C[C@@H]1CC[C@H](C)N1CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594301667 1017000780 /nfs/dbraw/zinc/00/07/80/1017000780.db2.gz CLFDRVXBBHQTID-AXFHLTTASA-N -1 0 318.395 -0.431 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1=O ZINC001594277403 1016996283 /nfs/dbraw/zinc/99/62/83/1016996283.db2.gz PPZOSTQMAWLOKS-JGTVTFMFSA-N -1 0 310.350 -0.010 20 0 DBADRM C[C@@H]1C[C@H]1CNC(=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001594278098 1016997548 /nfs/dbraw/zinc/99/75/48/1016997548.db2.gz LOBOHHPFRMPEGX-UTLUCORTSA-N -1 0 321.337 -0.478 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CC2)CC1=O ZINC001594276917 1016997947 /nfs/dbraw/zinc/99/79/47/1016997947.db2.gz KHQOWOJFTDYEAZ-KXUCPTDWSA-N -1 0 316.379 -0.220 20 0 DBADRM C[C@@H]1CCCCN1S(=O)(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001594376122 1016998642 /nfs/dbraw/zinc/99/86/42/1016998642.db2.gz BHLJWVNQDKFDET-GRZMOONWSA-N -1 0 306.384 -0.079 20 0 DBADRM C[C@@H]1CCCCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1 ZINC001594370304 1016998681 /nfs/dbraw/zinc/99/86/81/1016998681.db2.gz LQEFWGBKJVDRCQ-UTUOFQBUSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1CC[C@H](N2C(=O)N[C@H](CCC(=O)[O-])C2=O)CS1(=O)=O ZINC001594309690 1016998765 /nfs/dbraw/zinc/99/87/65/1016998765.db2.gz CJCBOHJHTSDYSO-XHNCKOQMSA-N -1 0 318.351 -0.263 20 0 DBADRM C[C@@H]1CC[C@H](CNC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001594305238 1016999181 /nfs/dbraw/zinc/99/91/81/1016999181.db2.gz KOHSPCBNYKDHSO-RHYQMDGZSA-N -1 0 312.366 -0.167 20 0 DBADRM C[C@@H]1CCCN1C(=O)CCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594389676 1017002231 /nfs/dbraw/zinc/00/22/31/1017002231.db2.gz UHDIHGXVXGKISO-GHMZBOCLSA-N -1 0 318.395 -0.429 20 0 DBADRM C[C@@H]1CCCc2nc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cn21 ZINC001594387746 1017002504 /nfs/dbraw/zinc/00/25/04/1017002504.db2.gz FBHQXKDDODLBBS-SFYZADRCSA-N -1 0 303.340 -0.496 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C[C@H]1CO ZINC001594392545 1017002615 /nfs/dbraw/zinc/00/26/15/1017002615.db2.gz HEVLUXOZBJDYQW-RPHNGCRZSA-N -1 0 324.377 -0.167 20 0 DBADRM C[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C(=O)NCC(=O)[O-])C1 ZINC001594377518 1017003039 /nfs/dbraw/zinc/00/30/39/1017003039.db2.gz FSEOGJUWUGNUBH-VXGBXAGGSA-N -1 0 311.382 -0.090 20 0 DBADRM CC1CCN(C(=O)C(=O)NCCC(=O)NCCC(=O)[O-])CC1 ZINC001594393180 1017003183 /nfs/dbraw/zinc/00/31/83/1017003183.db2.gz LYKPKOKAKBPRSQ-UHFFFAOYSA-N -1 0 313.354 -0.658 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC[S@]1=O ZINC001594402087 1017004674 /nfs/dbraw/zinc/00/46/74/1017004674.db2.gz OHEQDXOVGWWXMS-FFVOIRBGSA-N -1 0 300.340 -0.654 20 0 DBADRM CC1CCN(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CC1 ZINC001594414540 1017005308 /nfs/dbraw/zinc/00/53/08/1017005308.db2.gz IVRRAUXIFMIFEJ-NSHDSACASA-N -1 0 318.395 -0.572 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001594421047 1017005487 /nfs/dbraw/zinc/00/54/87/1017005487.db2.gz ANHQNWATKNWSHQ-HNNXBMFYSA-N -1 0 321.333 -0.045 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@H]1CO ZINC001594394775 1017006692 /nfs/dbraw/zinc/00/66/92/1017006692.db2.gz XFWZEUXSVYPEAQ-USZNOCQGSA-N -1 0 312.366 -0.167 20 0 DBADRM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001496711461 1017012368 /nfs/dbraw/zinc/01/23/68/1017012368.db2.gz LHDUMVMAVALMLR-URLYPYJESA-N -1 0 322.365 -0.106 20 0 DBADRM C[C@H]1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CCS1(=O)=O ZINC001594402091 1017006967 /nfs/dbraw/zinc/00/69/67/1017006967.db2.gz OMPMNZXTJDGVQQ-QMMMGPOBSA-N -1 0 316.339 -0.988 20 0 DBADRM CC1CCN(C(=O)C(=O)OCCc2cn(CC(=O)[O-])nn2)CC1 ZINC001594393977 1017006986 /nfs/dbraw/zinc/00/69/86/1017006986.db2.gz HQYBMWOGNXZIGC-UHFFFAOYSA-N -1 0 324.337 -0.293 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)[C@@H]1CO ZINC001594396225 1017007556 /nfs/dbraw/zinc/00/75/56/1017007556.db2.gz WIKIAQOFPQSMKL-WCBMZHEXSA-N -1 0 307.306 -0.052 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N[C@H](CC2OCCO2)C(=O)[O-])C1 ZINC001594429487 1017008240 /nfs/dbraw/zinc/00/82/40/1017008240.db2.gz ZJKZIOUVJWIECW-DTWKUNHWSA-N -1 0 308.356 -0.621 20 0 DBADRM Cc1cnc(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)nc1 ZINC001594429071 1017008948 /nfs/dbraw/zinc/00/89/48/1017008948.db2.gz VIHRTCDJGMIKKU-SNVBAGLBSA-N -1 0 306.322 -0.276 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001594430312 1017009693 /nfs/dbraw/zinc/00/96/93/1017009693.db2.gz QOHFFQYMNKBFQN-QMMMGPOBSA-N -1 0 313.335 -0.265 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001594438896 1017012514 /nfs/dbraw/zinc/01/25/14/1017012514.db2.gz IRFUGJPDIXAQLJ-RKDXNWHRSA-N -1 0 304.368 -0.315 20 0 DBADRM Cc1cncn1CC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594434087 1017012637 /nfs/dbraw/zinc/01/26/37/1017012637.db2.gz XXJCKNDKQSSCLW-NSHDSACASA-N -1 0 308.338 -0.227 20 0 DBADRM Cc1cnc(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])s1 ZINC001594427927 1017010123 /nfs/dbraw/zinc/01/01/23/1017010123.db2.gz WEGVXPNAFMCGTN-QMMMGPOBSA-N -1 0 318.376 -0.296 20 0 DBADRM Cc1conc1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001594436088 1017012180 /nfs/dbraw/zinc/01/21/80/1017012180.db2.gz RVTXXNPMLKGYLG-UHFFFAOYSA-N -1 0 311.294 -0.081 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCSC[C@H](C(=O)[O-])C2)CCO1 ZINC001594455471 1017016503 /nfs/dbraw/zinc/01/65/03/1017016503.db2.gz UHFCRPIFTMYCAZ-VHSXEESVSA-N -1 0 316.379 -0.490 20 0 DBADRM CC[C@@]1(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001496718890 1017017359 /nfs/dbraw/zinc/01/73/59/1017017359.db2.gz SPIUKBIIKURMCF-CQSZACIVSA-N -1 0 324.385 -0.683 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H](C)C1CC1 ZINC001428739147 1006012480 /nfs/dbraw/zinc/01/24/80/1006012480.db2.gz HXYAOVAZWVYTGN-HTQZYQBOSA-N -1 0 311.342 -0.644 20 0 DBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H](C)C1CC1 ZINC001428739154 1006012616 /nfs/dbraw/zinc/01/26/16/1006012616.db2.gz HXYAOVAZWVYTGN-SFYZADRCSA-N -1 0 311.342 -0.644 20 0 DBADRM Cc1nc2c(nccc2C(=O)N2CCN(C(=O)C(=O)[O-])CC2)[nH]1 ZINC001594461344 1017019015 /nfs/dbraw/zinc/01/90/15/1017019015.db2.gz AZFBTSOUTNGMSR-UHFFFAOYSA-N -1 0 317.305 -0.365 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)[C@@H](C)CO1 ZINC001594459358 1017018654 /nfs/dbraw/zinc/01/86/54/1017018654.db2.gz WHEJSNRFVVGHAA-YUMQZZPRSA-N -1 0 310.310 -0.307 20 0 DBADRM CN(CCN(C)C(=O)c1cnc[nH]c1=O)Cc1n[nH]c(=O)[n-]1 ZINC001496727066 1017018968 /nfs/dbraw/zinc/01/89/68/1017018968.db2.gz XSFRRAPFNWLILN-UHFFFAOYSA-N -1 0 307.314 -0.790 20 0 DBADRM Cc1cnn(C)c1S(=O)(=O)NCCOCCOCC(=O)[O-] ZINC001594434809 1017012691 /nfs/dbraw/zinc/01/26/91/1017012691.db2.gz WVMWGMZPMGCYGP-UHFFFAOYSA-N -1 0 321.355 -0.875 20 0 DBADRM C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001594439316 1017012860 /nfs/dbraw/zinc/01/28/60/1017012860.db2.gz PIIBBMJOYHURLW-WPRPVWTQSA-N -1 0 304.368 -0.315 20 0 DBADRM Cc1nc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)nn1-c1nc[nH]n1 ZINC001594445135 1017012897 /nfs/dbraw/zinc/01/28/97/1017012897.db2.gz NDDLSDZNCRHUFM-LURJTMIESA-N -1 0 305.298 -0.228 20 0 DBADRM C[C@H]1CCS(=O)(=O)CCN1S(=O)(=O)CCCC(=O)[O-] ZINC001594440058 1017012935 /nfs/dbraw/zinc/01/29/35/1017012935.db2.gz GHRKCZBMDYDYFF-VIFPVBQESA-N -1 0 313.397 -0.310 20 0 DBADRM Cc1n[nH]c(C)c1CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594443319 1017013023 /nfs/dbraw/zinc/01/30/23/1017013023.db2.gz VQDMPHWHWPTUSB-SNVBAGLBSA-N -1 0 315.351 -0.721 20 0 DBADRM Cc1nc([C@@H](C)NC(=O)NCCOCCOCC(=O)[O-])no1 ZINC001594449655 1017013284 /nfs/dbraw/zinc/01/32/84/1017013284.db2.gz GLMWWGQAKQVDOA-MRVPVSSYSA-N -1 0 316.314 -0.144 20 0 DBADRM Cc1cnn([C@H]2CCN(C(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)C2)c1 ZINC001594434696 1017013480 /nfs/dbraw/zinc/01/34/80/1017013480.db2.gz PEFSHRHBYPRHCR-RYUDHWBXSA-N -1 0 320.349 -0.102 20 0 DBADRM Cc1nc(CNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)cs1 ZINC001594454266 1017014069 /nfs/dbraw/zinc/01/40/69/1017014069.db2.gz VODGYNUGUDRSSP-UHFFFAOYSA-N -1 0 323.334 -0.012 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C[C@]1(C)CO ZINC001594454265 1017014831 /nfs/dbraw/zinc/01/48/31/1017014831.db2.gz MMYWOXCJANKUMW-ZUZCIYMTSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC(=O)N1 ZINC001594455407 1017014871 /nfs/dbraw/zinc/01/48/71/1017014871.db2.gz SUBMRFSRJKXOSS-UWVGGRQHSA-N -1 0 323.349 -0.953 20 0 DBADRM Cc1nc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cs1 ZINC001594453460 1017015020 /nfs/dbraw/zinc/01/50/20/1017015020.db2.gz BJDLSQOMCNKKCO-SECBINFHSA-N -1 0 313.335 -0.620 20 0 DBADRM Cc1nnc(CCNC(=O)C(=O)Nc2cccnc2C(=O)[O-])[nH]1 ZINC001594452640 1017015473 /nfs/dbraw/zinc/01/54/73/1017015473.db2.gz WZPXWBWTFSUEIP-UHFFFAOYSA-N -1 0 318.293 -0.496 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC(C)(C)O1 ZINC001594453761 1017015573 /nfs/dbraw/zinc/01/55/73/1017015573.db2.gz JHPCVCCVQGXVOO-VHSXEESVSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@H](O)[C@H](C)C2)C[C@]1(C)C(=O)[O-] ZINC001594455207 1017016055 /nfs/dbraw/zinc/01/60/55/1017016055.db2.gz RMMLKUAONPEULO-LMCGPQHNSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001594466801 1017020334 /nfs/dbraw/zinc/02/03/34/1017020334.db2.gz PVFAYUVCJPOBNI-SCZZXKLOSA-N -1 0 321.337 -0.443 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC001594469004 1017020621 /nfs/dbraw/zinc/02/06/21/1017020621.db2.gz UTKNQSIEEDZWKB-SNVBAGLBSA-N -1 0 315.351 -0.124 20 0 DBADRM Cc1nc2n(n1)CCN(C(=O)c1cccn(CC(=O)[O-])c1=O)C2 ZINC001594465728 1017020638 /nfs/dbraw/zinc/02/06/38/1017020638.db2.gz NKUMHMYJCFZSTP-UHFFFAOYSA-N -1 0 317.305 -0.511 20 0 DBADRM C[C@H]1CN(C(=O)CN[C@H](Cc2cncs2)C(=O)[O-])CCO1 ZINC001594467262 1017020840 /nfs/dbraw/zinc/02/08/40/1017020840.db2.gz BSQDWIUCQASUFE-GXSJLCMTSA-N -1 0 313.379 -0.024 20 0 DBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC001440379030 1006088183 /nfs/dbraw/zinc/08/81/83/1006088183.db2.gz KXMNQDIUFPORJZ-SECBINFHSA-N -1 0 309.326 -0.780 20 0 DBADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)CC2(CCOCC2)O1 ZINC001594470254 1017021745 /nfs/dbraw/zinc/02/17/45/1017021745.db2.gz GZYDSJQWNUSFHL-JTQLQIEISA-N -1 0 324.337 -0.227 20 0 DBADRM C[C@@H]1CN(C(=O)CN[C@H](C(=O)[O-])c2ccnn2C)C[C@@H](C)O1 ZINC001594467732 1017022106 /nfs/dbraw/zinc/02/21/06/1017022106.db2.gz JIZCFJIOQKAILW-BREBYQMCSA-N -1 0 310.354 -0.229 20 0 DBADRM CN(CCCN(C)C(=O)c1cnccn1)Cc1n[nH]c(=O)[n-]1 ZINC001440411164 1006108029 /nfs/dbraw/zinc/10/80/29/1006108029.db2.gz MFCOBARWWBMVHO-UHFFFAOYSA-N -1 0 305.342 -0.106 20 0 DBADRM Cc1ncc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])s1 ZINC001594468318 1017022682 /nfs/dbraw/zinc/02/26/82/1017022682.db2.gz SAUWYENFSDHHGT-ZETCQYMHSA-N -1 0 304.349 -0.225 20 0 DBADRM CN(CCCN(C)C(=O)c1c[nH]c(=O)n1C)Cc1n[nH]c(=O)[n-]1 ZINC001440441857 1006130431 /nfs/dbraw/zinc/13/04/31/1006130431.db2.gz FZABGIRLHRIMPX-UHFFFAOYSA-N -1 0 323.357 -0.457 20 0 DBADRM C[C@H]1CN(C(=O)NCCn2cc(C(=O)[O-])nn2)C[C@]1(C)CO ZINC001594475608 1017024137 /nfs/dbraw/zinc/02/41/37/1017024137.db2.gz MMIVRIHYXZZFIG-TVQRCGJNSA-N -1 0 311.342 -0.364 20 0 DBADRM Cc1nccn1C[C@@H](C)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001594474919 1017024672 /nfs/dbraw/zinc/02/46/72/1017024672.db2.gz HWFOCQIWBDJYDM-JQWIXIFHSA-N -1 0 322.365 -0.123 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)CC(=O)N1 ZINC001594473331 1017024744 /nfs/dbraw/zinc/02/47/44/1017024744.db2.gz KHXWGVCXEYITFB-BDAKNGLRSA-N -1 0 321.337 -0.054 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001594483138 1017025112 /nfs/dbraw/zinc/02/51/12/1017025112.db2.gz GWTDMTARSYOLEQ-UHFFFAOYSA-N -1 0 324.337 -0.829 20 0 DBADRM C[C@@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])C[C@H](C)O1 ZINC001594473226 1017025136 /nfs/dbraw/zinc/02/51/36/1017025136.db2.gz JUAOSUBGDDOWTJ-AOOOYVTPSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)Nc2ccn(CC(=O)[O-])n2)CCN1CCO ZINC001594482339 1017025908 /nfs/dbraw/zinc/02/59/08/1017025908.db2.gz NNBJCENTDYCBTO-JTQLQIEISA-N -1 0 311.342 -0.502 20 0 DBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001594480839 1017026025 /nfs/dbraw/zinc/02/60/25/1017026025.db2.gz SIVMYQYUCVNUMZ-CYBMUJFWSA-N -1 0 307.310 -0.520 20 0 DBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC001594483150 1017026332 /nfs/dbraw/zinc/02/63/32/1017026332.db2.gz HSZIMMSKVBGATL-VIFPVBQESA-N -1 0 311.747 -0.504 20 0 DBADRM Cc1nnccc1NC(=O)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001594494064 1017027605 /nfs/dbraw/zinc/02/76/05/1017027605.db2.gz OXNSAFLTAPVUKP-SNVBAGLBSA-N -1 0 318.293 -0.601 20 0 DBADRM Cc1nn(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(=O)o1 ZINC001594487028 1017027887 /nfs/dbraw/zinc/02/78/87/1017027887.db2.gz HFMXIFRUZGKENO-NSHDSACASA-N -1 0 305.290 -0.043 20 0 DBADRM Cc1nnc(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1C ZINC001594491338 1017027937 /nfs/dbraw/zinc/02/79/37/1017027937.db2.gz SZDUQLRZLSHXML-SECBINFHSA-N -1 0 309.326 -0.937 20 0 DBADRM Cc1nnc(CN(C)C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC001594491367 1017028775 /nfs/dbraw/zinc/02/87/75/1017028775.db2.gz VIUGKDPDZDMYRH-DTWKUNHWSA-N -1 0 310.310 -0.294 20 0 DBADRM Cc1nnsc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594493657 1017028789 /nfs/dbraw/zinc/02/87/89/1017028789.db2.gz CHZZOJMOBYSSPX-ZCFIWIBFSA-N -1 0 305.337 -0.830 20 0 DBADRM CC[C@H](C)C(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001440540482 1006182939 /nfs/dbraw/zinc/18/29/39/1006182939.db2.gz LXCJWVPSPRDTNI-HZMBPMFUSA-N -1 0 311.386 -0.001 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)O[C@H]1C(=O)[O-] ZINC001594485652 1017029192 /nfs/dbraw/zinc/02/91/92/1017029192.db2.gz MSGKAOGPTTYSHO-SYLRKERUSA-N -1 0 314.382 -0.222 20 0 DBADRM Cc1nnc(COCC(=O)N[C@]2(C(=O)[O-])CCOC2)s1 ZINC001594493215 1017029644 /nfs/dbraw/zinc/02/96/44/1017029644.db2.gz USNTXOGTGOXRJY-LLVKDONJSA-N -1 0 301.324 -0.277 20 0 DBADRM Cc1nn(C)cc1NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594487407 1017029883 /nfs/dbraw/zinc/02/98/83/1017029883.db2.gz PGUWMLMCVFQDKT-UHFFFAOYSA-N -1 0 315.351 -0.053 20 0 DBADRM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)NCCC(=O)[O-] ZINC001594484584 1017030169 /nfs/dbraw/zinc/03/01/69/1017030169.db2.gz SEZVDIHJTMSODE-NSHDSACASA-N -1 0 308.338 -0.017 20 0 DBADRM C[C@@H](C(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001440562982 1006201618 /nfs/dbraw/zinc/20/16/18/1006201618.db2.gz VNXKRIKULYDZRX-BMIGLBTASA-N -1 0 323.397 -0.001 20 0 DBADRM Cc1noc(C)c1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594496208 1017030716 /nfs/dbraw/zinc/03/07/16/1017030716.db2.gz VBOUPGZRBSRNAA-MRVPVSSYSA-N -1 0 302.308 -0.385 20 0 DBADRM Cc1noc(C)c1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594496209 1017033636 /nfs/dbraw/zinc/03/36/36/1017033636.db2.gz VBOUPGZRBSRNAA-QMMMGPOBSA-N -1 0 302.308 -0.385 20 0 DBADRM C[C@@H]1CN([C@H]2CCN(CCC(=O)[O-])C2=O)C[C@H](C)[S@@]1=O ZINC001594507952 1017034071 /nfs/dbraw/zinc/03/40/71/1017034071.db2.gz PGELCTZEACJGKM-DAADQSANSA-N -1 0 302.396 -0.097 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)Nc1ccon1 ZINC001594513367 1017035125 /nfs/dbraw/zinc/03/51/25/1017035125.db2.gz JUEWELKIPIKFPU-VIFPVBQESA-N -1 0 310.310 -0.380 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@H]2CCNC(=O)C2)c1[O-] ZINC001429219313 1006294030 /nfs/dbraw/zinc/29/40/30/1006294030.db2.gz QPKVXFHPCGPSHC-VIFPVBQESA-N -1 0 323.353 -0.862 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)Nc1ccon1 ZINC001594513365 1017039904 /nfs/dbraw/zinc/03/99/04/1017039904.db2.gz JUEWELKIPIKFPU-SECBINFHSA-N -1 0 310.310 -0.380 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1coc(C(N)=O)c1 ZINC001594522644 1017043564 /nfs/dbraw/zinc/04/35/64/1017043564.db2.gz TVUUZSUPJZHHFM-VIFPVBQESA-N -1 0 309.322 -0.001 20 0 DBADRM C[C@H]1CN(CCNC(=O)Nc2cc(C(=O)[O-])nn2C)CCO1 ZINC001594528872 1017044661 /nfs/dbraw/zinc/04/46/61/1017044661.db2.gz ZCOZNJBHXAPDMA-VIFPVBQESA-N -1 0 311.342 -0.040 20 0 DBADRM CCC[C@H](C)C(=O)N(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001429396411 1006385476 /nfs/dbraw/zinc/38/54/76/1006385476.db2.gz QMVISDZUGGQTEB-QMMMGPOBSA-N -1 0 311.342 -0.093 20 0 DBADRM COc1nn(C)cc1C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001440951607 1006385590 /nfs/dbraw/zinc/38/55/90/1006385590.db2.gz HDWXRTLYVYSNQA-MRVPVSSYSA-N -1 0 323.357 -0.497 20 0 DBADRM C[C@H]1COCC[C@H]1NC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001594602489 1017050220 /nfs/dbraw/zinc/05/02/20/1017050220.db2.gz DPEADQNLTNAOPJ-MMWGEVLESA-N -1 0 314.338 -0.772 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC(=O)N1C ZINC001594554348 1017046732 /nfs/dbraw/zinc/04/67/32/1017046732.db2.gz ACTBMCNCRGHOGZ-SECBINFHSA-N -1 0 319.383 -0.810 20 0 DBADRM Cc1conc1CN(C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001440952117 1006386689 /nfs/dbraw/zinc/38/66/89/1006386689.db2.gz DSJGFCLHTHVMNV-MRVPVSSYSA-N -1 0 322.325 -0.170 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)CCCCCC(=O)[O-])CCN1CCO ZINC001594550717 1017046935 /nfs/dbraw/zinc/04/69/35/1017046935.db2.gz PHGIMJBAAFAOQA-GFCCVEGCSA-N -1 0 322.427 -0.040 20 0 DBADRM C[C@@H]1CN(Cc2nc[nH]n2)[C@H](C(=O)[O-])CN1Cc1nc[nH]n1 ZINC001594548399 1017047217 /nfs/dbraw/zinc/04/72/17/1017047217.db2.gz UIJCUZXCEVGNTM-BDAKNGLRSA-N -1 0 306.330 -0.918 20 0 DBADRM C[C@@H]1CN(C)[C@@H](C)CN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001594554359 1017047369 /nfs/dbraw/zinc/04/73/69/1017047369.db2.gz ADRQPEWRYRRRSX-JGVFFNPUSA-N -1 0 302.356 -0.179 20 0 DBADRM C[C@@H]1CNc2c(C(=O)N3CCN(CC(=O)[O-])CC3)cnn2C1 ZINC001594585151 1017047697 /nfs/dbraw/zinc/04/76/97/1017047697.db2.gz UZWWIPOFDGZMNR-SNVBAGLBSA-N -1 0 307.354 -0.213 20 0 DBADRM C[C@@H]1CN(Cc2nc[nH]n2)[C@@H](C(=O)[O-])CN1Cc1nc[nH]n1 ZINC001594548402 1017048001 /nfs/dbraw/zinc/04/80/01/1017048001.db2.gz UIJCUZXCEVGNTM-RKDXNWHRSA-N -1 0 306.330 -0.918 20 0 DBADRM C[C@H]1CO[C@@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)C1 ZINC001594587831 1017050345 /nfs/dbraw/zinc/05/03/45/1017050345.db2.gz SINZFRJYHHTEIG-KZFFXBSXSA-N -1 0 305.352 -0.585 20 0 DBADRM C[C@H]1CNc2c(C(=O)N[C@H](CC3OCCO3)C(=O)[O-])cnn2C1 ZINC001594588090 1017049508 /nfs/dbraw/zinc/04/95/08/1017049508.db2.gz VRJKOEHWSASHNY-WCBMZHEXSA-N -1 0 324.337 -0.109 20 0 DBADRM C[C@H]1CO[C@@H](CO)CN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594597536 1017049760 /nfs/dbraw/zinc/04/97/60/1017049760.db2.gz DXTRBQBFQFUINT-VHSXEESVSA-N -1 0 309.322 -0.200 20 0 DBADRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001594636193 1017054144 /nfs/dbraw/zinc/05/41/44/1017054144.db2.gz PWCNXDNRKFEFGS-QHOPCYEYSA-N -1 0 324.337 -0.015 20 0 DBADRM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594629212 1017054164 /nfs/dbraw/zinc/05/41/64/1017054164.db2.gz GAGOOTREFPBQAK-XVMARJQXSA-N -1 0 317.323 -0.341 20 0 DBADRM C[C@H](CNC(=O)CCN1CCCC1=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001441031462 1006434549 /nfs/dbraw/zinc/43/45/49/1006434549.db2.gz XRJGNBXHNDWNKY-SNVBAGLBSA-N -1 0 324.385 -0.541 20 0 DBADRM C[C@@H]1OCC[C@@H]1N(CCO)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001594643966 1017054698 /nfs/dbraw/zinc/05/46/98/1017054698.db2.gz KGQUGUGCCBOPCE-UWVGGRQHSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001594648471 1017054897 /nfs/dbraw/zinc/05/48/97/1017054897.db2.gz JPTBTAUZQALQFH-MKPLZMMCSA-N -1 0 318.351 -0.201 20 0 DBADRM C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001594649678 1017055333 /nfs/dbraw/zinc/05/53/33/1017055333.db2.gz YVYNXOJLJJKPQC-VWYCJHECSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@@H]1Oc2c(cccc2C(=O)NC[C@H](O)CC(=O)[O-])NC1=O ZINC001594650333 1017055347 /nfs/dbraw/zinc/05/53/47/1017055347.db2.gz CUUNYVJRGWOIGP-JGVFFNPUSA-N -1 0 308.290 -0.029 20 0 DBADRM C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001594649677 1017056470 /nfs/dbraw/zinc/05/64/70/1017056470.db2.gz YVYNXOJLJJKPQC-OUAUKWLOSA-N -1 0 314.338 -0.676 20 0 DBADRM C[C@@H]1CO[C@H](C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001594587021 1017050548 /nfs/dbraw/zinc/05/05/48/1017050548.db2.gz MXQSAIXWEFJZBO-SLEUVZQESA-N -1 0 312.366 -0.201 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001594598467 1017051275 /nfs/dbraw/zinc/05/12/75/1017051275.db2.gz KCBSSLCCTWFWRM-ZJUUUORDSA-N -1 0 307.368 -0.347 20 0 DBADRM C[C@H]1COCC[C@H]1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001594604181 1017051317 /nfs/dbraw/zinc/05/13/17/1017051317.db2.gz OGHSMYDJJSIENT-NWDGAFQWSA-N -1 0 320.411 -0.167 20 0 DBADRM C[C@@H]1CS(=O)(=O)CCCN1S(=O)(=O)CCCC(=O)[O-] ZINC001594610778 1017052697 /nfs/dbraw/zinc/05/26/97/1017052697.db2.gz ULRNGKPGKBBOLN-SECBINFHSA-N -1 0 313.397 -0.310 20 0 DBADRM C[C@H]1COCCN1CCNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001594608233 1017052721 /nfs/dbraw/zinc/05/27/21/1017052721.db2.gz UMBRBAGJZOXDPU-QJPTWQEYSA-N -1 0 315.370 -0.504 20 0 DBADRM C[C@@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)c1cn[nH]c1 ZINC001594657996 1017057680 /nfs/dbraw/zinc/05/76/80/1017057680.db2.gz LCWNBNMEFSMLDD-CBAPKCEASA-N -1 0 312.351 -0.096 20 0 DBADRM C/C=C\C[C@@H](CO)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001594683700 1017058290 /nfs/dbraw/zinc/05/82/90/1017058290.db2.gz HDWUWNHTXGTCLV-QUCGXOGASA-N -1 0 306.384 -0.056 20 0 DBADRM C/C=C/C[C@@H](CO)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001594682590 1017058649 /nfs/dbraw/zinc/05/86/49/1017058649.db2.gz AOOWYFUDYOFEQX-HPOULIHZSA-N -1 0 303.340 -0.427 20 0 DBADRM C[C@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)c1cn[nH]c1 ZINC001594657994 1017058914 /nfs/dbraw/zinc/05/89/14/1017058914.db2.gz LCWNBNMEFSMLDD-APPZFPTMSA-N -1 0 312.351 -0.096 20 0 DBADRM CCC(=O)N1CC[C@H](n2nnnc2N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1 ZINC001594699729 1017059061 /nfs/dbraw/zinc/05/90/61/1017059061.db2.gz FSAXCHONXFFDRR-UXCLJVHYSA-N -1 0 320.353 -0.377 20 0 DBADRM CCn1cc(CC(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001496819995 1017060652 /nfs/dbraw/zinc/06/06/52/1017060652.db2.gz VGMIONSEFKSTEU-UHFFFAOYSA-N -1 0 321.385 -0.140 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001594706757 1017060757 /nfs/dbraw/zinc/06/07/57/1017060757.db2.gz UPHSSYUIQDZUQI-KXUCPTDWSA-N -1 0 314.338 -0.234 20 0 DBADRM CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001594705953 1017061492 /nfs/dbraw/zinc/06/14/92/1017061492.db2.gz IQENCJIDFPGJBZ-KXUCPTDWSA-N -1 0 314.338 -0.234 20 0 DBADRM CCC(=O)N1CCN(CCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001594705452 1017061556 /nfs/dbraw/zinc/06/15/56/1017061556.db2.gz FZIYQQYIIAJRPE-RYUDHWBXSA-N -1 0 311.382 -0.232 20 0 DBADRM CCC(=O)NCc1nc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc(=O)[nH]1 ZINC001594712648 1017061850 /nfs/dbraw/zinc/06/18/50/1017061850.db2.gz WJYHBJQUSBKWEN-IUCAKERBSA-N -1 0 322.321 -0.455 20 0 DBADRM O=C(C[C@@H]1CCCO1)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001441272725 1006553062 /nfs/dbraw/zinc/55/30/62/1006553062.db2.gz LPQXOZXJOQBQTP-FIQHERPVSA-N -1 0 321.381 -0.127 20 0 DBADRM COc1ncc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001496817013 1017061991 /nfs/dbraw/zinc/06/19/91/1017061991.db2.gz UYOXRGBWRJOCPI-UHFFFAOYSA-N -1 0 321.341 -0.487 20 0 DBADRM O=C([O-])[C@@]1(NC(=O)[C@H]2CC(c3cccnc3)=NO2)CCOC1 ZINC001594724190 1017062388 /nfs/dbraw/zinc/06/23/88/1017062388.db2.gz MNUGWTWHFIDMCY-BXUZGUMPSA-N -1 0 305.290 -0.066 20 0 DBADRM CCCN(CCNC(=O)C(C)C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001429795052 1006562047 /nfs/dbraw/zinc/56/20/47/1006562047.db2.gz JUOYHNHEQZCEBA-UHFFFAOYSA-N -1 0 313.358 -0.300 20 0 DBADRM CO[C@@H](C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C(C)C ZINC001441289013 1006563477 /nfs/dbraw/zinc/56/34/77/1006563477.db2.gz SQROVHSOFZMKFZ-HNCHTBHHSA-N -1 0 323.397 -0.025 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(=O)[nH]2)C1 ZINC001594748528 1017062711 /nfs/dbraw/zinc/06/27/11/1017062711.db2.gz KEBRJSCJQHUMRV-BDAKNGLRSA-N -1 0 324.337 -0.708 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC001594762680 1017062872 /nfs/dbraw/zinc/06/28/72/1017062872.db2.gz ZZYBXVKFQBQHJE-VIFPVBQESA-N -1 0 309.326 -0.042 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC001594744987 1017062958 /nfs/dbraw/zinc/06/29/58/1017062958.db2.gz HFMSRAVGPHQRRJ-NSHDSACASA-N -1 0 320.349 -0.060 20 0 DBADRM CC[C@H](C)C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1O ZINC001594867149 1017067886 /nfs/dbraw/zinc/06/78/86/1017067886.db2.gz XBAZRXGLIQENHF-JMJZKYOTSA-N -1 0 308.338 -0.113 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCOC[C@@H]1COC)C(=O)[O-] ZINC001594894281 1017068959 /nfs/dbraw/zinc/06/89/59/1017068959.db2.gz ONAGGBJOBBBNMQ-GMXVVIOVSA-N -1 0 302.371 -0.051 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN[C@]1(C(=O)OC)CCOC1)C(=O)[O-] ZINC001594896432 1017069113 /nfs/dbraw/zinc/06/91/13/1017069113.db2.gz IRSXHRUKKVVJSR-NURSFMCSSA-N -1 0 316.354 -0.476 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)[C@H]1CCCC(=O)N1)C(=O)[O-] ZINC001594905579 1017069176 /nfs/dbraw/zinc/06/91/76/1017069176.db2.gz SLMXMGQBCSFMNJ-LNLATYFQSA-N -1 0 314.338 -0.186 20 0 DBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)c1nccnc1N)C(=O)[O-] ZINC001594904460 1017069293 /nfs/dbraw/zinc/06/92/93/1017069293.db2.gz ZZRWNQSISJGGIR-APPZFPTMSA-N -1 0 310.310 -0.169 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN[C@]1(C(=O)[O-])CCOC1)C(=O)OC ZINC001594898447 1017069467 /nfs/dbraw/zinc/06/94/67/1017069467.db2.gz XGQIIEKGWPFFAZ-NURSFMCSSA-N -1 0 316.354 -0.476 20 0 DBADRM O=C(NCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1)C1CC1 ZINC001429849065 1006587197 /nfs/dbraw/zinc/58/71/97/1006587197.db2.gz MKGKMAHUYHXOOG-UHFFFAOYSA-N -1 0 307.310 -0.586 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC001594755905 1017064477 /nfs/dbraw/zinc/06/44/77/1017064477.db2.gz AUDKOPZUSGBFIC-JTQLQIEISA-N -1 0 306.384 -0.067 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC001594762014 1017064519 /nfs/dbraw/zinc/06/45/19/1017064519.db2.gz NCMSZLIBAULOKV-NSHDSACASA-N -1 0 324.337 -0.209 20 0 DBADRM CC[C@](C)(CCO)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001594830738 1017065003 /nfs/dbraw/zinc/06/50/03/1017065003.db2.gz QFGNPVFGFHRJJA-CYBMUJFWSA-N -1 0 303.359 -0.182 20 0 DBADRM CC[C@](C)(NC(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)C(=O)[O-] ZINC001594835176 1017065675 /nfs/dbraw/zinc/06/56/75/1017065675.db2.gz FZQMVADJADLCIA-XPTSAGLGSA-N -1 0 315.370 -0.238 20 0 DBADRM CC[C@H](C(=O)OC)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001594774038 1017066606 /nfs/dbraw/zinc/06/66/06/1017066606.db2.gz DUIAIAIABORLQV-BXUZGUMPSA-N -1 0 300.355 -0.201 20 0 DBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001594819203 1017066660 /nfs/dbraw/zinc/06/66/60/1017066660.db2.gz UUDQXZSVLFKLAE-NSHDSACASA-N -1 0 309.388 -0.516 20 0 DBADRM CC[C@H](C(=O)OC)C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001594774518 1017066852 /nfs/dbraw/zinc/06/68/52/1017066852.db2.gz GWEBLOIGFVCVGN-BDAKNGLRSA-N -1 0 301.295 -0.196 20 0 DBADRM CC[C@H](C(=O)[O-])n1cc(CN2CCS(=O)(=O)CC2)nn1 ZINC001594774980 1017067017 /nfs/dbraw/zinc/06/70/17/1017067017.db2.gz JZDGRFFTONSTRH-SNVBAGLBSA-N -1 0 302.356 -0.456 20 0 DBADRM C[C@@H](C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)C(C)(C)C ZINC001430249316 1006789812 /nfs/dbraw/zinc/78/98/12/1006789812.db2.gz JCNBQQOYRZMLIG-ZETCQYMHSA-N -1 0 323.353 -0.094 20 0 DBADRM Cc1cccc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)c1 ZINC001441674910 1006801187 /nfs/dbraw/zinc/80/11/87/1006801187.db2.gz ZSWJBVHIPKUMNG-LLVKDONJSA-N -1 0 305.338 -0.301 20 0 DBADRM O=C(CC1CC1)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001430315512 1006814092 /nfs/dbraw/zinc/81/40/92/1006814092.db2.gz DVGSLWVOUZLFEL-UHFFFAOYSA-N -1 0 309.326 -0.936 20 0 DBADRM CC1(CC(=O)N2CC(CNC(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001430407999 1006845319 /nfs/dbraw/zinc/84/53/19/1006845319.db2.gz VISIKRKVOGSKIQ-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)Cc3ncc[nH]3)C2)c1[O-] ZINC001430419039 1006848055 /nfs/dbraw/zinc/84/80/55/1006848055.db2.gz BQHMOFFCKTVCQB-UHFFFAOYSA-N -1 0 318.337 -0.422 20 0 DBADRM C[C@@H](CNC(=O)C1=CCCC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001430479362 1006869783 /nfs/dbraw/zinc/86/97/83/1006869783.db2.gz OVGBJIUIZHMMQM-VIFPVBQESA-N -1 0 320.349 -0.169 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)[C@@H]2COCCO2)c1[O-] ZINC001430483448 1006871961 /nfs/dbraw/zinc/87/19/61/1006871961.db2.gz WZORBBGPYYITKM-CBAPKCEASA-N -1 0 312.326 -0.926 20 0 DBADRM CC[C@@H](C)CC(=O)NC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001430508174 1006875685 /nfs/dbraw/zinc/87/56/85/1006875685.db2.gz PXKZRDAPIKJSQI-RKDXNWHRSA-N -1 0 313.358 -0.254 20 0 DBADRM CN(C(=O)c1nccnc1N)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598105013 1017233511 /nfs/dbraw/zinc/23/35/11/1017233511.db2.gz ZUJOVFBFAFNALF-BDAKNGLRSA-N -1 0 319.321 -0.938 20 0 DBADRM CN(C)C(=O)[C@@H]1CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001598118452 1017233806 /nfs/dbraw/zinc/23/38/06/1017233806.db2.gz GXEJBELWAKGOGJ-GMTAPVOTSA-N -1 0 313.354 -0.404 20 0 DBADRM CN(C(=O)c1ncccc1O)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598104887 1017233852 /nfs/dbraw/zinc/23/38/52/1017233852.db2.gz WAPWNIHYPGPMLQ-VHSXEESVSA-N -1 0 319.317 -0.209 20 0 DBADRM CN(C)C(=O)[C@@H]1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001598119289 1017234352 /nfs/dbraw/zinc/23/43/52/1017234352.db2.gz NGDFTXVISVPIIM-SNVBAGLBSA-N -1 0 321.333 -0.517 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCCOCC(=O)[O-])O1 ZINC001598120258 1017234621 /nfs/dbraw/zinc/23/46/21/1017234621.db2.gz XFNHXEAPOHQHEA-VHSXEESVSA-N -1 0 317.342 -0.977 20 0 DBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)O1 ZINC001598116483 1017234852 /nfs/dbraw/zinc/23/48/52/1017234852.db2.gz CMVOLHORDNVRFL-DBIOUOCHSA-N -1 0 314.338 -0.629 20 0 DBADRM CN(C)C(=O)CCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598126266 1017236392 /nfs/dbraw/zinc/23/63/92/1017236392.db2.gz JTWKVPVUFZEXKC-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM CN(C)C(=O)CCn1nnnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001598126270 1017236796 /nfs/dbraw/zinc/23/67/96/1017236796.db2.gz KBDYQTJBWSEYCT-HZMBPMFUSA-N -1 0 322.369 -0.158 20 0 DBADRM CN(C)C(=O)CNC(=S)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001598129908 1017237490 /nfs/dbraw/zinc/23/74/90/1017237490.db2.gz GEMHKFQONWDGCI-TVQRCGJNSA-N -1 0 315.395 -0.628 20 0 DBADRM CN(C)C(=O)NCCNS(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001598139733 1017238729 /nfs/dbraw/zinc/23/87/29/1017238729.db2.gz CKBBRPIEVJKDQJ-UHFFFAOYSA-N -1 0 321.399 -0.180 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@](C)(CCF)C(=O)[O-])nn1 ZINC001598133995 1017238797 /nfs/dbraw/zinc/23/87/97/1017238797.db2.gz HTSZIFNQNORUJM-GFCCVEGCSA-N -1 0 315.305 -0.701 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001598138749 1017239089 /nfs/dbraw/zinc/23/90/89/1017239089.db2.gz HURBDFXWODSNNN-BDAKNGLRSA-N -1 0 304.322 -0.194 20 0 DBADRM CN(C)C1(CS(=O)(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)CC1 ZINC001598184560 1017242445 /nfs/dbraw/zinc/24/24/45/1017242445.db2.gz XRSQSOWWSJGERG-MNOVXSKESA-N -1 0 320.411 -0.263 20 0 DBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001598139178 1017239669 /nfs/dbraw/zinc/23/96/69/1017239669.db2.gz UENIKFRVBGWJOT-LLVKDONJSA-N -1 0 323.353 -0.204 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCC(CC(=O)[O-])CC2)nn1 ZINC001598134692 1017240072 /nfs/dbraw/zinc/24/00/72/1017240072.db2.gz ZUDYQKDFEDWPLI-UHFFFAOYSA-N -1 0 323.353 -0.307 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)OCc2cc(C(=O)[O-])no2)nn1 ZINC001598134644 1017240086 /nfs/dbraw/zinc/24/00/86/1017240086.db2.gz WLZGIWHONCONGR-UHFFFAOYSA-N -1 0 323.265 -0.591 20 0 DBADRM CN(C)C(=O)c1ccc(NC(=O)NC[C@@H](O)CC(=O)[O-])nc1 ZINC001598156226 1017240112 /nfs/dbraw/zinc/24/01/12/1017240112.db2.gz IMXNQLLJSDTURM-VIFPVBQESA-N -1 0 310.310 -0.260 20 0 DBADRM CN(C)[C@]1(C(=O)NC[C@H](O)CC(=O)[O-])COc2ccccc2C1 ZINC001598175384 1017240882 /nfs/dbraw/zinc/24/08/82/1017240882.db2.gz AFNNCCGHEXANJB-WBMJQRKESA-N -1 0 322.361 -0.126 20 0 DBADRM CN(C)[C@@]1(C(=O)NCC[C@H](O)C(=O)[O-])COc2ccccc2C1 ZINC001598175486 1017241739 /nfs/dbraw/zinc/24/17/39/1017241739.db2.gz DNKSHYSHZSSTCV-BLLLJJGKSA-N -1 0 322.361 -0.126 20 0 DBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CN(C(=O)c2cnn(C)c2)C1 ZINC001597998299 1017226340 /nfs/dbraw/zinc/22/63/40/1017226340.db2.gz KMMPGKDIVVGQNV-WDEREUQCSA-N -1 0 306.322 -0.576 20 0 DBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)c2cccnn2)C1 ZINC001597998258 1017226525 /nfs/dbraw/zinc/22/65/25/1017226525.db2.gz JQYKCUHRRXIQTE-UWVGGRQHSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(C(=O)Cc2cnoc2)C1 ZINC001597998193 1017226678 /nfs/dbraw/zinc/22/66/78/1017226678.db2.gz IMRKRGDAUFJJGG-MNOVXSKESA-N -1 0 307.306 -0.393 20 0 DBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CCN(Cc2nncn2C)CC1 ZINC001597997928 1017227199 /nfs/dbraw/zinc/22/71/99/1017227199.db2.gz CNXJSVQIKKIWQB-NEPJUHHUSA-N -1 0 321.381 -0.041 20 0 DBADRM CN(C(=O)C1=CCOCC1)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001597997260 1017227343 /nfs/dbraw/zinc/22/73/43/1017227343.db2.gz SJYZYGOXJVKARK-VXGBXAGGSA-N -1 0 308.334 -0.277 20 0 DBADRM CN(C(=O)CSCC(N)=O)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598033590 1017228307 /nfs/dbraw/zinc/22/83/07/1017228307.db2.gz WGOSNRIXVLYIHO-VIFPVBQESA-N -1 0 304.368 -0.314 20 0 DBADRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001430668022 1006973177 /nfs/dbraw/zinc/97/31/77/1006973177.db2.gz PJIQUPYQVONVEU-YIZRAAEISA-N -1 0 311.342 -0.644 20 0 DBADRM CN(C(=O)Cn1ccnc1)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598041748 1017231645 /nfs/dbraw/zinc/23/16/45/1017231645.db2.gz VRBYQXBZWXSNHD-MNOVXSKESA-N -1 0 306.322 -0.727 20 0 DBADRM CN(C(=O)c1cc(C(=O)[O-])no1)N1CCS(=O)(=O)CC1 ZINC001598079477 1017232209 /nfs/dbraw/zinc/23/22/09/1017232209.db2.gz TWQIIOILSWZAPQ-UHFFFAOYSA-N -1 0 303.296 -0.910 20 0 DBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NC[C@H]2C[C@H]2C(=O)[O-])O1 ZINC001598116338 1017233210 /nfs/dbraw/zinc/23/32/10/1017233210.db2.gz CCUNJRQAQLFLSG-DBIOUOCHSA-N -1 0 313.354 -0.358 20 0 DBADRM CC(=O)N[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)CC(C)C ZINC001431075286 1007178449 /nfs/dbraw/zinc/17/84/49/1007178449.db2.gz CFPRKRKDHJUVFG-JTQLQIEISA-N -1 0 310.354 -0.234 20 0 DBADRM Cc1ncc(C(=O)NCCN(C)C(=O)c2n[nH]c(C)c2[O-])[nH]1 ZINC001431167749 1007232235 /nfs/dbraw/zinc/23/22/35/1007232235.db2.gz ATGDAGQUSWYKJI-UHFFFAOYSA-N -1 0 306.326 -0.043 20 0 DBADRM CC(=O)N1CC(C(=O)NCCN(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001431221308 1007281920 /nfs/dbraw/zinc/28/19/20/1007281920.db2.gz ZBASFEYCROICJF-UHFFFAOYSA-N -1 0 323.353 -0.910 20 0 DBADRM Cc1cc(CC(=O)N(C)CCNC(=O)c2cnc[nH]c2=O)[nH]n1 ZINC001431321350 1007348510 /nfs/dbraw/zinc/34/85/10/1007348510.db2.gz GMFSXFDTTGSLFR-UHFFFAOYSA-N -1 0 318.337 -0.355 20 0 DBADRM Cc1nc[nH]c1C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001431361349 1007373741 /nfs/dbraw/zinc/37/37/41/1007373741.db2.gz CJVSXRCLMRCJDF-UHFFFAOYSA-N -1 0 306.326 -0.043 20 0 DBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)CCCF ZINC001431398874 1007395121 /nfs/dbraw/zinc/39/51/21/1007395121.db2.gz YLJKIMFJMSNYHP-UHFFFAOYSA-N -1 0 301.278 -0.779 20 0 DBADRM CN(CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)Cc1n[nH]c(=O)[n-]1 ZINC001442484130 1007485249 /nfs/dbraw/zinc/48/52/49/1007485249.db2.gz MFZOXKWYWKHKAR-JBLDHEPKSA-N -1 0 309.370 -0.127 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2ncn(C)n2)c1[O-] ZINC001442484645 1007487586 /nfs/dbraw/zinc/48/75/86/1007487586.db2.gz BPVHGRWNRURZPY-RNFRBKRXSA-N -1 0 321.341 -0.511 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@H](F)C(C)C)c1[O-] ZINC001431514748 1007558343 /nfs/dbraw/zinc/55/83/43/1007558343.db2.gz PUTGKIYGTJEHJG-RKDXNWHRSA-N -1 0 316.333 -0.375 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)C2=COCCO2)c1[O-] ZINC001431614075 1007638047 /nfs/dbraw/zinc/63/80/47/1007638047.db2.gz NZRKWXXQRAJJDK-SSDOTTSWSA-N -1 0 310.310 -0.454 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@H]2COCCO2)c1[O-] ZINC001431614129 1007638179 /nfs/dbraw/zinc/63/81/79/1007638179.db2.gz PQEANKRSRVHUAM-VXNVDRBHSA-N -1 0 312.326 -0.926 20 0 DBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@@H]1CC1(C)C ZINC001431628221 1007644259 /nfs/dbraw/zinc/64/42/59/1007644259.db2.gz SXDXECIJEUMHGX-SCZZXKLOSA-N -1 0 322.365 -0.234 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)CC1CC1 ZINC001431680088 1007668414 /nfs/dbraw/zinc/66/84/14/1007668414.db2.gz NSPBIJOTSDPFJR-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CCCC1 ZINC001431758384 1007699288 /nfs/dbraw/zinc/69/92/88/1007699288.db2.gz HBKWGCKVJYAQMK-ZETCQYMHSA-N -1 0 309.326 -0.293 20 0 DBADRM COCC1(C(=O)NC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001442892490 1007699845 /nfs/dbraw/zinc/69/98/45/1007699845.db2.gz VUEJBUZYKZEGFQ-JTQLQIEISA-N -1 0 309.370 -0.125 20 0 DBADRM C[NH+](C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001598224432 1017246218 /nfs/dbraw/zinc/24/62/18/1017246218.db2.gz IWZNNQSNOSNWAW-UHFFFAOYSA-N -1 0 320.323 -0.385 20 0 DBADRM CCCN(CCNC(=O)C(F)F)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001431776091 1007705533 /nfs/dbraw/zinc/70/55/33/1007705533.db2.gz RFRJBJJAMNPERG-UHFFFAOYSA-N -1 0 321.284 -0.691 20 0 DBADRM Cn1cncc1CC(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001442904191 1007709592 /nfs/dbraw/zinc/70/95/92/1007709592.db2.gz NASFRJQLBOEXMH-SNVBAGLBSA-N -1 0 319.369 -0.575 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001598259818 1017248872 /nfs/dbraw/zinc/24/88/72/1017248872.db2.gz PLZUMOHOVDSWTI-VIFPVBQESA-N -1 0 304.368 -0.409 20 0 DBADRM CN(C)S(=O)(=O)N(C)CC(=O)NC1(CC(=O)[O-])CCCC1 ZINC001598261419 1017249126 /nfs/dbraw/zinc/24/91/26/1017249126.db2.gz BMLAVYKGTMKPBC-UHFFFAOYSA-N -1 0 321.399 -0.372 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001598259205 1017249769 /nfs/dbraw/zinc/24/97/69/1017249769.db2.gz CJGDYSNXMNVERD-UHFFFAOYSA-N -1 0 307.353 -0.400 20 0 DBADRM CCCN(CCNC(=O)c1cnn(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001442925142 1007721846 /nfs/dbraw/zinc/72/18/46/1007721846.db2.gz XUKVTPKKJFKZIO-UHFFFAOYSA-N -1 0 307.358 -0.114 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)NCc1ncc(C(=O)[O-])s1 ZINC001598260126 1017250550 /nfs/dbraw/zinc/25/05/50/1017250550.db2.gz XOSUBFBKHSSXIY-UHFFFAOYSA-N -1 0 307.353 -0.651 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001598260142 1017250628 /nfs/dbraw/zinc/25/06/28/1017250628.db2.gz XYAVXAMBRBPYSE-GFCCVEGCSA-N -1 0 306.384 -0.019 20 0 DBADRM CN(C)c1cc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)ncn1 ZINC001598307209 1017255383 /nfs/dbraw/zinc/25/53/83/1017255383.db2.gz IKHAFZAYEQOFRC-UHFFFAOYSA-N -1 0 319.321 -0.443 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001598262125 1017251455 /nfs/dbraw/zinc/25/14/55/1017251455.db2.gz OAVULWHQAFBMFC-XPUUQOCRSA-N -1 0 314.310 -0.650 20 0 DBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CC(C)(C(=O)[O-])C2)c1 ZINC001598266591 1017251552 /nfs/dbraw/zinc/25/15/52/1017251552.db2.gz DPKJCJMBSCVDHZ-UHFFFAOYSA-N -1 0 315.351 -0.188 20 0 DBADRM CN(C)S(=O)(=O)CCC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001598262170 1017251953 /nfs/dbraw/zinc/25/19/53/1017251953.db2.gz QSFGRHDESHTUSC-VIFPVBQESA-N -1 0 324.424 -0.456 20 0 DBADRM CN(C)S(=O)(=O)NCCNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001598266913 1017252021 /nfs/dbraw/zinc/25/20/21/1017252021.db2.gz KTZMCVAFSHTOLJ-VHSXEESVSA-N -1 0 321.399 -0.610 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001598262121 1017252149 /nfs/dbraw/zinc/25/21/49/1017252149.db2.gz NRAWASLKYKLATL-PTRXPTGYSA-N -1 0 319.383 -0.570 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001598262731 1017252628 /nfs/dbraw/zinc/25/26/28/1017252628.db2.gz UXDUHZBOZJAMOX-UHFFFAOYSA-N -1 0 318.355 -0.264 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)c1ccc(C(=O)[O-])n1C ZINC001598262843 1017252772 /nfs/dbraw/zinc/25/27/72/1017252772.db2.gz XABONLZLISJMGR-UHFFFAOYSA-N -1 0 303.340 -0.656 20 0 DBADRM CN(C)[S@@](C)(=O)=NC(=O)CN1CCOC[C@H]1CC(=O)[O-] ZINC001598282971 1017253757 /nfs/dbraw/zinc/25/37/57/1017253757.db2.gz QUHDKALRHPPIOW-YBYGRFCBSA-N -1 0 307.372 -0.737 20 0 DBADRM C[C@@H](CNC(=O)[C@@H](C)C1CCC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001431873070 1007745609 /nfs/dbraw/zinc/74/56/09/1007745609.db2.gz AUGBODWFGKEZHY-YUMQZZPRSA-N -1 0 323.353 -0.047 20 0 DBADRM CC(C)C1(C(=O)NC[C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001431874848 1007745756 /nfs/dbraw/zinc/74/57/56/1007745756.db2.gz YLVHIJFGACKVOF-QMMMGPOBSA-N -1 0 323.353 -0.047 20 0 DBADRM CCCN(C(C)=O)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001431943899 1007766010 /nfs/dbraw/zinc/76/60/10/1007766010.db2.gz MULBLNHRPKIRAD-VIFPVBQESA-N -1 0 309.326 -0.244 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)Cc2cc[nH]n2)c1[O-] ZINC001432025537 1007790178 /nfs/dbraw/zinc/79/01/78/1007790178.db2.gz YGOFZJCGDSTFDT-SNVBAGLBSA-N -1 0 318.337 -0.280 20 0 DBADRM COCC(=O)NCC1(NC(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001432137823 1007821330 /nfs/dbraw/zinc/82/13/30/1007821330.db2.gz SQSRGRLTZNCKOJ-UHFFFAOYSA-N -1 0 319.321 -0.952 20 0 DBADRM CCO[C@@H](C)C(=O)NC1(CNC(=O)c2cnc[nH]c2=O)CC1 ZINC001432198031 1007845292 /nfs/dbraw/zinc/84/52/92/1007845292.db2.gz IIEOQMXUTMPFSB-VIFPVBQESA-N -1 0 308.338 -0.014 20 0 DBADRM CNC(=O)CCCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001443429481 1007846985 /nfs/dbraw/zinc/84/69/85/1007846985.db2.gz PKJOJUBAHSMICM-UHFFFAOYSA-N -1 0 319.321 -0.478 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001443444649 1007848267 /nfs/dbraw/zinc/84/82/67/1007848267.db2.gz MWLZWEIGQZLHQG-AEJSXWLSSA-N -1 0 309.326 -0.311 20 0 DBADRM CCO[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)[C@@H]1CCOC1 ZINC001443446485 1007848471 /nfs/dbraw/zinc/84/84/71/1007848471.db2.gz BPWZJKJAUMUFEQ-VWYCJHECSA-N -1 0 311.342 -0.459 20 0 DBADRM COc1cc(=O)[nH]cc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001443444973 1007848569 /nfs/dbraw/zinc/84/85/69/1007848569.db2.gz RPUOYZDPSRUZBL-VIFPVBQESA-N -1 0 306.282 -0.477 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001432286987 1007881852 /nfs/dbraw/zinc/88/18/52/1007881852.db2.gz VKGPLHSUPWPOBV-IONNQARKSA-N -1 0 321.337 -0.802 20 0 DBADRM CC(C)(C)NC(=O)CN1CC(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001443591203 1007883746 /nfs/dbraw/zinc/88/37/46/1007883746.db2.gz DXNHRCVMNYOIGR-UHFFFAOYSA-N -1 0 321.381 -0.242 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@@H]1NC(=O)O[C@H]1C)C(=O)[O-] ZINC001594895578 1017070568 /nfs/dbraw/zinc/07/05/68/1017070568.db2.gz DXTWJCJUIJSLPB-ZRUAGYDASA-N -1 0 316.310 -0.358 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)Cn1cc(C(=O)NC)ccc1=O)C(=O)[O-] ZINC001594910073 1017070814 /nfs/dbraw/zinc/07/08/14/1017070814.db2.gz YRJHNNOOMNNSKX-NOZJJQNGSA-N -1 0 323.349 -0.177 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)Cn1cnc2c(c1=O)COCC2)C(=O)[O-] ZINC001594909674 1017071018 /nfs/dbraw/zinc/07/10/18/1017071018.db2.gz VZBSXBAYPYQZJK-NOZJJQNGSA-N -1 0 323.349 -0.069 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(Cc2nccs2)C1 ZINC001443637535 1007893017 /nfs/dbraw/zinc/89/30/17/1007893017.db2.gz SXORMVKZDMYGAJ-UHFFFAOYSA-N -1 0 324.366 -0.606 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCc1c[nH]cn1 ZINC001594959858 1017072628 /nfs/dbraw/zinc/07/26/28/1017072628.db2.gz HZGPKUKMTAITBW-SECBINFHSA-N -1 0 301.324 -0.948 20 0 DBADRM CCCC(=O)NCC1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001432373920 1007907035 /nfs/dbraw/zinc/90/70/35/1007907035.db2.gz JZALJQOGLXVXQN-UHFFFAOYSA-N -1 0 323.353 -0.410 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001594925728 1017072974 /nfs/dbraw/zinc/07/29/74/1017072974.db2.gz ITWJUGZHTVOVBF-UPJWGTAASA-N -1 0 312.366 -0.201 20 0 DBADRM O=C(CCCn1ccnc1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001443741356 1007916120 /nfs/dbraw/zinc/91/61/20/1007916120.db2.gz LVIHWEKNLURPBO-NSHDSACASA-N -1 0 319.369 -0.122 20 0 DBADRM CCC(CC)N1C[C@@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1=O ZINC001595117242 1017074422 /nfs/dbraw/zinc/07/44/22/1017074422.db2.gz VJORQAODACTPAU-PTRXPTGYSA-N -1 0 300.355 -0.026 20 0 DBADRM CCC(=O)NCC(=O)NCC1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001432401947 1007921864 /nfs/dbraw/zinc/92/18/64/1007921864.db2.gz ZNWVRZNBDHEONO-UHFFFAOYSA-N -1 0 323.353 -0.862 20 0 DBADRM CC[C@H](CN1CCOCC1)NS(=O)(=O)CCCC(=O)[O-] ZINC001595130761 1017074882 /nfs/dbraw/zinc/07/48/82/1017074882.db2.gz DCMSWYXZBTYCNG-LLVKDONJSA-N -1 0 308.400 -0.119 20 0 DBADRM O=C([O-])CCCCNS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001595045836 1017074975 /nfs/dbraw/zinc/07/49/75/1017074975.db2.gz CUHHKESBHOKRDC-JTQLQIEISA-N -1 0 304.368 -0.076 20 0 DBADRM O=C([O-])CN1CC[C@H](n2cc(CSCCO)nn2)C1=O ZINC001595082059 1017075164 /nfs/dbraw/zinc/07/51/64/1017075164.db2.gz NIUUUQNDDCLKQJ-VIFPVBQESA-N -1 0 300.340 -0.638 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1CCNC1=O)Nc1ccnc(C(=O)[O-])n1 ZINC001595139885 1017075779 /nfs/dbraw/zinc/07/57/79/1017075779.db2.gz ZUQZRWOIRZOXSJ-IUCAKERBSA-N -1 0 321.337 -0.961 20 0 DBADRM CC[C@H](CNC(=O)C(=O)Nc1ccn(CCOC)n1)C(=O)[O-] ZINC001595135662 1017075952 /nfs/dbraw/zinc/07/59/52/1017075952.db2.gz ZKFDECWRMUKMHU-SECBINFHSA-N -1 0 312.326 -0.305 20 0 DBADRM CN(C(=O)CCc1nnc[nH]1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001443791679 1007930580 /nfs/dbraw/zinc/93/05/80/1007930580.db2.gz GKQQRJFWZFXBHV-VIFPVBQESA-N -1 0 320.357 -0.706 20 0 DBADRM CC[C@H](CNC(=O)Cn1cncn1)Nc1ccnc(C(=O)[O-])n1 ZINC001595145596 1017076102 /nfs/dbraw/zinc/07/61/02/1017076102.db2.gz PDJJFLPSSAFRET-SECBINFHSA-N -1 0 319.325 -0.805 20 0 DBADRM CC[C@H](CNC(=O)[C@H]1CCNC1=O)Nc1ccnc(C(=O)[O-])n1 ZINC001595139883 1017076411 /nfs/dbraw/zinc/07/64/11/1017076411.db2.gz ZUQZRWOIRZOXSJ-BDAKNGLRSA-N -1 0 321.337 -0.961 20 0 DBADRM CC[C@H](CN1CCOCC1)NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001595131587 1017076425 /nfs/dbraw/zinc/07/64/25/1017076425.db2.gz XLQKNIIOHZIALV-VXGBXAGGSA-N -1 0 315.370 -0.408 20 0 DBADRM CC[C@@H](CNC(=O)[C@@H]1CCOC1)Nc1ccnc(C(=O)[O-])n1 ZINC001595139136 1017076810 /nfs/dbraw/zinc/07/68/10/1017076810.db2.gz BIZZDIQDROXMMK-ZJUUUORDSA-N -1 0 308.338 -0.060 20 0 DBADRM CC[C@@](COC)(NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-] ZINC001595188165 1017078119 /nfs/dbraw/zinc/07/81/19/1017078119.db2.gz PTFGUGNIEKNLFZ-XPTSAGLGSA-N -1 0 324.337 -0.241 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001595172696 1017078558 /nfs/dbraw/zinc/07/85/58/1017078558.db2.gz LYDQKXOVNLQROP-BBBLOLIVSA-N -1 0 321.399 -0.133 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001595171818 1017079285 /nfs/dbraw/zinc/07/92/85/1017079285.db2.gz PXEKTZLXKYOPKI-LPEHRKFASA-N -1 0 321.399 -0.181 20 0 DBADRM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001443945834 1007971161 /nfs/dbraw/zinc/97/11/61/1007971161.db2.gz YCYSIPDIWUWBHC-JGVFFNPUSA-N -1 0 323.353 -0.094 20 0 DBADRM CC(=O)NC[C@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001444049835 1007996360 /nfs/dbraw/zinc/99/63/60/1007996360.db2.gz RRUCZZAMJKLEFJ-SSDOTTSWSA-N -1 0 313.276 -0.943 20 0 DBADRM CCCC(=O)NC[C@H](CO)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001444049035 1007996873 /nfs/dbraw/zinc/99/68/73/1007996873.db2.gz OXIICBQSUNYHFU-MRVPVSSYSA-N -1 0 322.321 -0.065 20 0 DBADRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(C)(C)C ZINC001432757984 1008006303 /nfs/dbraw/zinc/00/63/03/1008006303.db2.gz BSGHQABDPRANNU-QMMMGPOBSA-N -1 0 313.358 -0.254 20 0 DBADRM CCCC(=O)N1CC[C@@](O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001432802510 1008026200 /nfs/dbraw/zinc/02/62/00/1008026200.db2.gz NTWNKEIPLVJKPB-CQSZACIVSA-N -1 0 310.354 -0.083 20 0 DBADRM CC(=O)N1CCC(CCNC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001432888501 1008035804 /nfs/dbraw/zinc/03/58/04/1008035804.db2.gz LEETUXTVYDKOMZ-UHFFFAOYSA-N -1 0 322.365 -0.136 20 0 DBADRM O=C(NCCc1ncc[nH]1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001444198051 1008074227 /nfs/dbraw/zinc/07/42/27/1008074227.db2.gz HULNYDPVFUPHDD-UHFFFAOYSA-N -1 0 314.305 -0.038 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)c2cc[nH]n2)c1[O-] ZINC001433151240 1008076689 /nfs/dbraw/zinc/07/66/89/1008076689.db2.gz XAFUBPVENNLEQZ-UHFFFAOYSA-N -1 0 306.326 -0.009 20 0 DBADRM CC(C)C(=O)N[C@H](CO)CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001444250806 1008100287 /nfs/dbraw/zinc/10/02/87/1008100287.db2.gz VPYBDFNZNDBPOE-QMMMGPOBSA-N -1 0 322.321 -0.209 20 0 DBADRM COC(=O)[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CC(C)C ZINC001444287007 1008116250 /nfs/dbraw/zinc/11/62/50/1008116250.db2.gz SMKHAIGSCAMRTH-MRVPVSSYSA-N -1 0 300.315 -0.359 20 0 DBADRM CC[C@@H](OC)C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001433260610 1008124501 /nfs/dbraw/zinc/12/45/01/1008124501.db2.gz UBMKMTLXMZYKGI-RKDXNWHRSA-N -1 0 314.342 -0.944 20 0 DBADRM CC[C@@H](OC)C(=O)NC[C@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001433260601 1008125580 /nfs/dbraw/zinc/12/55/80/1008125580.db2.gz UBMKMTLXMZYKGI-DTWKUNHWSA-N -1 0 314.342 -0.944 20 0 DBADRM CS[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001433299298 1008142903 /nfs/dbraw/zinc/14/29/03/1008142903.db2.gz DXKGQKRUFLAHBI-JGVFFNPUSA-N -1 0 316.383 -0.618 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cc(C2CCOCC2)[nH]n1 ZINC001444935944 1008260853 /nfs/dbraw/zinc/26/08/53/1008260853.db2.gz OLBOXZTXSOXACT-UHFFFAOYSA-N -1 0 308.298 -0.055 20 0 DBADRM CN(CCN(C)C(=O)CCc1ccn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001444992841 1008269335 /nfs/dbraw/zinc/26/93/35/1008269335.db2.gz OPNWKLOMSWYNTH-UHFFFAOYSA-N -1 0 321.385 -0.233 20 0 DBADRM CN(CCN(C)C(=O)[C@@H]1CCCC(=O)N1C)Cc1n[nH]c(=O)[n-]1 ZINC001445071277 1008280537 /nfs/dbraw/zinc/28/05/37/1008280537.db2.gz SKFNRJVPBSMMMG-JTQLQIEISA-N -1 0 324.385 -0.589 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001445484556 1008382011 /nfs/dbraw/zinc/38/20/11/1008382011.db2.gz RSMFYFDUAKXTDA-SZEHBUNVSA-N -1 0 310.354 -0.229 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCCF)C[C@@H]2O)c1[O-] ZINC001445635903 1008409929 /nfs/dbraw/zinc/40/99/29/1008409929.db2.gz FRLUQJWGSGUZIJ-BDAKNGLRSA-N -1 0 314.317 -0.525 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)Cc1cnn(C)c1 ZINC001445705126 1008423676 /nfs/dbraw/zinc/42/36/76/1008423676.db2.gz LEMSEQISMKEMES-VIFPVBQESA-N -1 0 307.358 -0.577 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1ncccc1O ZINC001445713302 1008425202 /nfs/dbraw/zinc/42/52/02/1008425202.db2.gz QOINOBLCVVEKMO-QMMMGPOBSA-N -1 0 306.326 -0.139 20 0 DBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)c1cnn2c1CCC2 ZINC001445739853 1008427844 /nfs/dbraw/zinc/42/78/44/1008427844.db2.gz QZGTUUJOQSQNNU-VIFPVBQESA-N -1 0 319.369 -0.097 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN1Cc1nccs1 ZINC001446126446 1008478872 /nfs/dbraw/zinc/47/88/72/1008478872.db2.gz UDRXRHTZOOMKFU-MRVPVSSYSA-N -1 0 324.366 -0.464 20 0 DBADRM CCN1C[C@@H](C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CC2)CC1=O ZINC001446173222 1008486341 /nfs/dbraw/zinc/48/63/41/1008486341.db2.gz HVJVITKCNVOOAR-VIFPVBQESA-N -1 0 322.369 -0.883 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001446205682 1008489452 /nfs/dbraw/zinc/48/94/52/1008489452.db2.gz KWSXKENKCUXFFV-UHFFFAOYSA-N -1 0 319.369 -0.087 20 0 DBADRM CCC1(C(=O)NC[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001457385210 1008524672 /nfs/dbraw/zinc/52/46/72/1008524672.db2.gz TZRNMSVEIVCVIF-QMMMGPOBSA-N -1 0 323.353 -0.045 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@H](C)n1cncn1)NC(=O)c1cn[nH]n1 ZINC001457604167 1008549127 /nfs/dbraw/zinc/54/91/27/1008549127.db2.gz QWPQASPEJOPJFA-UWVGGRQHSA-N -1 0 320.357 -0.472 20 0 DBADRM CC(C)[C@@H](CNC(=O)[C@@H](C)n1cncn1)NC(=O)c1cn[nH]n1 ZINC001457604163 1008550727 /nfs/dbraw/zinc/55/07/27/1008550727.db2.gz QWPQASPEJOPJFA-NXEZZACHSA-N -1 0 320.357 -0.472 20 0 DBADRM CC(C)[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C1CC1 ZINC001457656887 1008565733 /nfs/dbraw/zinc/56/57/33/1008565733.db2.gz WISYZKSBUPKFJK-QMMMGPOBSA-N -1 0 309.326 -0.437 20 0 DBADRM CC(C)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)CC1CC1 ZINC001457651015 1008568868 /nfs/dbraw/zinc/56/88/68/1008568868.db2.gz MSFTUMZWFSXNSB-SECBINFHSA-N -1 0 323.353 -0.047 20 0 DBADRM COC(=O)c1ccn(CC(=O)NCCCc2n[nH]c(=O)[n-]2)n1 ZINC001457670165 1008573350 /nfs/dbraw/zinc/57/33/50/1008573350.db2.gz IGLHOQIKTPLZQN-UHFFFAOYSA-N -1 0 308.298 -0.758 20 0 DBADRM CN(CCN(C)C(=O)c1ccoc1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001457713449 1008582527 /nfs/dbraw/zinc/58/25/27/1008582527.db2.gz TYGYRBGTVHVGAQ-UHFFFAOYSA-N -1 0 323.309 -0.487 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)Cc2nnc[nH]2)c1[O-] ZINC001457754547 1008604800 /nfs/dbraw/zinc/60/48/00/1008604800.db2.gz GAEHWYKKBIRYRG-UHFFFAOYSA-N -1 0 321.341 -0.685 20 0 DBADRM CO[C@@H]1CN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C[C@H]1O ZINC001457807937 1008639331 /nfs/dbraw/zinc/63/93/31/1008639331.db2.gz XELOIHJXAORBKB-GHMZBOCLSA-N -1 0 305.290 -0.138 20 0 DBADRM CC[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H](O)C(F)F ZINC001457862246 1008658925 /nfs/dbraw/zinc/65/89/25/1008658925.db2.gz VBKFJBXHPXBILX-VXNVDRBHSA-N -1 0 315.280 -0.408 20 0 DBADRM CN(Cc1n[n-]c(=O)o1)C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC001457858216 1008661182 /nfs/dbraw/zinc/66/11/82/1008661182.db2.gz AGCBXLUHTGFAON-UHFFFAOYSA-N -1 0 323.309 -0.498 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC2(C)C)c1[O-] ZINC001457957894 1008769546 /nfs/dbraw/zinc/76/95/46/1008769546.db2.gz FYEGORRVMDJVQI-IUCAKERBSA-N -1 0 310.354 -0.323 20 0 DBADRM Cn1ncc(Br)c1CNC(=O)c1n[nH]c(=O)[n-]1 ZINC001457973401 1008786342 /nfs/dbraw/zinc/78/63/42/1008786342.db2.gz WLUDZDVMSMZXOO-UHFFFAOYSA-N -1 0 301.104 -0.064 20 0 DBADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1C[C@H](CO)[C@H](CO)C1 ZINC001457982802 1008793313 /nfs/dbraw/zinc/79/33/13/1008793313.db2.gz UOBOCYMZKDIAOO-TXEJJXNPSA-N -1 0 319.317 -0.297 20 0 DBADRM Cn1[n-]nnc1=NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC001458303827 1008830160 /nfs/dbraw/zinc/83/01/60/1008830160.db2.gz PNZZISQLRBJKPM-UHFFFAOYSA-N -1 0 311.305 -0.511 20 0 DBADRM CC[C@@H](C)CCC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001446881112 1008836211 /nfs/dbraw/zinc/83/62/11/1008836211.db2.gz FNCGDBHDDYXLOP-SNVBAGLBSA-N -1 0 311.386 -0.001 20 0 DBADRM CC(C)C(=O)NC[C@@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001458638362 1008850662 /nfs/dbraw/zinc/85/06/62/1008850662.db2.gz HWUGKDZAUAYHJT-VIFPVBQESA-N -1 0 308.338 -0.527 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)Cc2ncc[nH]2)c1[O-] ZINC001458807742 1008879501 /nfs/dbraw/zinc/87/95/01/1008879501.db2.gz XSWGYDLZMIKFKT-VIFPVBQESA-N -1 0 318.337 -0.280 20 0 DBADRM C=CC(=O)NCCC(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1 ZINC001447071932 1008892060 /nfs/dbraw/zinc/89/20/60/1008892060.db2.gz CJBHLEFNDNSQBJ-UHFFFAOYSA-N -1 0 313.335 -0.330 20 0 DBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)c3cn(C)nn3)CC2)c1[O-] ZINC001458914205 1008897219 /nfs/dbraw/zinc/89/72/19/1008897219.db2.gz SHGSTJNYAWUJTB-UHFFFAOYSA-N -1 0 319.325 -0.755 20 0 DBADRM O=C(Cc1ccon1)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001447136061 1008914915 /nfs/dbraw/zinc/91/49/15/1008914915.db2.gz UMWVZWVILHXCLW-SNVBAGLBSA-N -1 0 322.325 -0.942 20 0 DBADRM O=C(CCc1nnn[n-]1)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC001447321723 1009025445 /nfs/dbraw/zinc/02/54/45/1009025445.db2.gz YNQLLKADCKRUDG-NWDGAFQWSA-N -1 0 305.338 -0.267 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1CCNC(=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001447332804 1009037091 /nfs/dbraw/zinc/03/70/91/1009037091.db2.gz VWDDPZXLKDIOIQ-SNVBAGLBSA-N -1 0 324.385 -0.683 20 0 DBADRM COc1cnc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)nc1 ZINC001459631461 1009041631 /nfs/dbraw/zinc/04/16/31/1009041631.db2.gz FYQCBAKBFXGEMY-UHFFFAOYSA-N -1 0 301.266 -0.492 20 0 DBADRM C[C@H](CN(C)C(=O)c1cn(C[C@H]2CCOC2)nn1)c1nnn[n-]1 ZINC001447363882 1009049693 /nfs/dbraw/zinc/04/96/93/1009049693.db2.gz OXKMGUQMUSKMQM-NXEZZACHSA-N -1 0 320.357 -0.297 20 0 DBADRM Nc1nc2nc(CN3CCC[C@@]34CCOC4=O)cc(=O)n2[n-]1 ZINC001459988779 1009068693 /nfs/dbraw/zinc/06/86/93/1009068693.db2.gz JZISCLVPLLJRRE-ZDUSSCGKSA-N -1 0 304.310 -0.719 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)N1CCC[C@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC001447450365 1009086704 /nfs/dbraw/zinc/08/67/04/1009086704.db2.gz UETJXFYYOHIWIA-HFAKWTLXSA-N -1 0 323.397 -0.001 20 0 DBADRM CNC(=O)N[C@H]1CCCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001460770701 1009115216 /nfs/dbraw/zinc/11/52/16/1009115216.db2.gz JQRDNHIIHDHJAO-JTQLQIEISA-N -1 0 304.354 -0.084 20 0 DBADRM C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1csnn1 ZINC001460975851 1009128315 /nfs/dbraw/zinc/12/83/15/1009128315.db2.gz LBSVRSYTAARJIT-LURJTMIESA-N -1 0 305.323 -0.200 20 0 DBADRM COc1cccnc1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001460929627 1009128524 /nfs/dbraw/zinc/12/85/24/1009128524.db2.gz CVHZLQHIGZIJLO-UHFFFAOYSA-N -1 0 314.305 -0.209 20 0 DBADRM COCC(COC)S(=O)(=O)[N-][C@](C)(COC)C(=O)OC ZINC001463321369 1009204643 /nfs/dbraw/zinc/20/46/43/1009204643.db2.gz CIKXWJUTSXOIND-LLVKDONJSA-N -1 0 313.372 -0.855 20 0 DBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H]1CCC2(CCC2)O1 ZINC001463410805 1009212363 /nfs/dbraw/zinc/21/23/63/1009212363.db2.gz VTLKJHNZOURIGU-QWRGUYRKSA-N -1 0 321.395 -0.069 20 0 DBADRM O=C1OCC[C@@H]1N1CCC(NS(=O)(=O)c2ncc[n-]2)CC1 ZINC001463358982 1009214817 /nfs/dbraw/zinc/21/48/17/1009214817.db2.gz SXWRQZPCGUPDBN-JTQLQIEISA-N -1 0 314.367 -0.532 20 0 DBADRM Cc1oc(C=O)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001447649735 1009215675 /nfs/dbraw/zinc/21/56/75/1009215675.db2.gz ZBXGOHCDLWSGJG-UHFFFAOYSA-N -1 0 302.308 -0.404 20 0 DBADRM COCCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1ncc[n-]1 ZINC001463539380 1009228735 /nfs/dbraw/zinc/22/87/35/1009228735.db2.gz WITYNIUKRACQJL-NXEZZACHSA-N -1 0 305.356 -0.492 20 0 DBADRM O=C(CCCc1nnn[n-]1)N1CCN(c2ncccn2)CC1 ZINC001463603375 1009230641 /nfs/dbraw/zinc/23/06/41/1009230641.db2.gz FVBMBHDTZLNMQT-UHFFFAOYSA-N -1 0 302.342 -0.339 20 0 DBADRM CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001463651476 1009234454 /nfs/dbraw/zinc/23/44/54/1009234454.db2.gz XARPPTDERYVUBS-VIFPVBQESA-N -1 0 320.305 -0.012 20 0 DBADRM CO[C@H](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc[nH]c1=O ZINC001447694494 1009238684 /nfs/dbraw/zinc/23/86/84/1009238684.db2.gz BRVNFKKQTMKYMG-GOONRYMUSA-N -1 0 320.349 -0.206 20 0 DBADRM Cc1nc([C@H]([N-]S(=O)(=O)c2c[nH]cn2)c2cnn(C)c2)no1 ZINC001463786332 1009245395 /nfs/dbraw/zinc/24/53/95/1009245395.db2.gz PPZXPDLMXRUWBY-SNVBAGLBSA-N -1 0 323.338 -0.097 20 0 DBADRM CC[C@](COC)([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)C(=O)OC ZINC001463837428 1009249215 /nfs/dbraw/zinc/24/92/15/1009249215.db2.gz QQWCKMQAZZVNPF-BXKDBHETSA-N -1 0 324.399 -0.649 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CC(=O)N(C)OC ZINC001463904489 1009256996 /nfs/dbraw/zinc/25/69/96/1009256996.db2.gz FVZQERGIHJLYBQ-UHFFFAOYSA-N -1 0 306.296 -0.636 20 0 DBADRM C[C@@H]1CC(=O)NN1C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001463970268 1009268742 /nfs/dbraw/zinc/26/87/42/1009268742.db2.gz NSLFOMZDIRNQAN-SSDOTTSWSA-N -1 0 303.278 -0.468 20 0 DBADRM C[C@H](CNC(=O)c1ccccc1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001447759439 1009286140 /nfs/dbraw/zinc/28/61/40/1009286140.db2.gz UUUSZSRTISLYLW-SECBINFHSA-N -1 0 319.321 -0.376 20 0 DBADRM CN(C)c1nc(N)nc(C(=O)NCc2ccc(C(=O)[O-])cn2)n1 ZINC001598353003 1017256783 /nfs/dbraw/zinc/25/67/83/1017256783.db2.gz WRLSNKFQOLBSJB-UHFFFAOYSA-N -1 0 317.309 -0.457 20 0 DBADRM CN(C)c1cnc(C(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])cn1 ZINC001598348175 1017256961 /nfs/dbraw/zinc/25/69/61/1017256961.db2.gz GESYSIDLAHWALR-DTWKUNHWSA-N -1 0 321.337 -0.891 20 0 DBADRM CN(C)c1cncc(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC001598348542 1017256994 /nfs/dbraw/zinc/25/69/94/1017256994.db2.gz SSMFQSWFAGJJJI-GDNZZTSVSA-N -1 0 318.333 -0.125 20 0 DBADRM CN(C)c1ncnc2c1cc(C(=O)NC[C@H](O)C(=O)[O-])n2C ZINC001598365504 1017257280 /nfs/dbraw/zinc/25/72/80/1017257280.db2.gz RZICYGIEHQIJNB-VIFPVBQESA-N -1 0 307.310 -0.790 20 0 DBADRM CN(C)c1nccc(CNS(=O)(=O)N(C)CCC(=O)[O-])n1 ZINC001598359088 1017257567 /nfs/dbraw/zinc/25/75/67/1017257567.db2.gz VPVRZGVRACBRMH-UHFFFAOYSA-N -1 0 317.371 -0.717 20 0 DBADRM CN(C)c1noc(CCC(=O)N[C@@H](C(=O)[O-])c2ccnn2C)n1 ZINC001598365460 1017257713 /nfs/dbraw/zinc/25/77/13/1017257713.db2.gz QUMJDZTYNOJBGT-LLVKDONJSA-N -1 0 322.325 -0.256 20 0 DBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1C(=O)NCC1(C)C ZINC001464109316 1009292355 /nfs/dbraw/zinc/29/23/55/1009292355.db2.gz CNXCGKOKSMMXRB-QMMMGPOBSA-N -1 0 311.429 -0.147 20 0 DBADRM CN(C)c1noc(CCC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])n1 ZINC001598365644 1017258456 /nfs/dbraw/zinc/25/84/56/1017258456.db2.gz WUKATCGKNBGPJO-KCJUWKMLSA-N -1 0 312.326 -0.495 20 0 DBADRM COC(=O)COCC[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001464201097 1009297122 /nfs/dbraw/zinc/29/71/22/1009297122.db2.gz CPHNVMGTMAORPH-UHFFFAOYSA-N -1 0 314.385 -0.728 20 0 DBADRM CN(C)c1noc(CCC(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])n1 ZINC001598365643 1017258684 /nfs/dbraw/zinc/25/86/84/1017258684.db2.gz WUKATCGKNBGPJO-GZMMTYOYSA-N -1 0 312.326 -0.495 20 0 DBADRM CN(C)c1ccnc(C(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC001598345947 1017258766 /nfs/dbraw/zinc/25/87/66/1017258766.db2.gz JKISQUJRROHZMD-MNOVXSKESA-N -1 0 320.349 -0.286 20 0 DBADRM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001464265662 1009300147 /nfs/dbraw/zinc/30/01/47/1009300147.db2.gz GYXSTKXHLCLINR-RKDXNWHRSA-N -1 0 311.342 -0.418 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001464320278 1009303815 /nfs/dbraw/zinc/30/38/15/1009303815.db2.gz LFIFPABQUNDRCL-MWLCHTKSSA-N -1 0 319.310 -0.172 20 0 DBADRM C[C@@H](CNC(=O)c1ccc[nH]1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001447777399 1009307653 /nfs/dbraw/zinc/30/76/53/1009307653.db2.gz RSNFHEGQKCLCJO-QMMMGPOBSA-N -1 0 319.321 -0.638 20 0 DBADRM CN(CC(=O)NC1(C(=O)[O-])CCCCC1)[C@@H]1COC[C@H]1O ZINC001598386469 1017260850 /nfs/dbraw/zinc/26/08/50/1017260850.db2.gz GRUQRWWUWOYQKO-GHMZBOCLSA-N -1 0 300.355 -0.418 20 0 DBADRM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001464502931 1009315284 /nfs/dbraw/zinc/31/52/84/1009315284.db2.gz RJWFFYVBNNKYMX-ZJUUUORDSA-N -1 0 322.383 -0.895 20 0 DBADRM CN(CC(=O)N[C@H](Cn1cncn1)C(=O)[O-])c1ccccc1 ZINC001598386479 1017261547 /nfs/dbraw/zinc/26/15/47/1017261547.db2.gz GYLSCYDBUKTJKW-GFCCVEGCSA-N -1 0 303.322 -0.016 20 0 DBADRM O=C(NC1CCN(CC(F)F)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001464556867 1009321457 /nfs/dbraw/zinc/32/14/57/1009321457.db2.gz AUMRWDVPNGUVDB-UHFFFAOYSA-N -1 0 303.269 -0.258 20 0 DBADRM O=C1NC[C@@H](O)CC12CN(S(=O)(=O)c1ccccc1[O-])C2 ZINC001464547089 1009321932 /nfs/dbraw/zinc/32/19/32/1009321932.db2.gz IJQNQXOOZCLUIZ-VIFPVBQESA-N -1 0 312.347 -0.736 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CCN1CCNC1=O ZINC001464548629 1009323668 /nfs/dbraw/zinc/32/36/68/1009323668.db2.gz VLMOYHFGXYCAPO-UHFFFAOYSA-N -1 0 317.323 -0.630 20 0 DBADRM CN(CC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1CCC1 ZINC001598387252 1017263367 /nfs/dbraw/zinc/26/33/67/1017263367.db2.gz SUPPGOXPWQXHJB-UHFFFAOYSA-N -1 0 318.395 -0.381 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)n1 ZINC001464738351 1009339190 /nfs/dbraw/zinc/33/91/90/1009339190.db2.gz AXJGJZGVHQNICM-SECBINFHSA-N -1 0 324.366 -0.527 20 0 DBADRM CN(CC(C)(CO)CO)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001598424849 1017266240 /nfs/dbraw/zinc/26/62/40/1017266240.db2.gz BOVAFLKUAMKSML-UHFFFAOYSA-N -1 0 320.367 -0.665 20 0 DBADRM CN(CC(=O)[O-])C(=O)CCN1CCOC[C@H]1[C@@H]1CCCO1 ZINC001598408714 1017266769 /nfs/dbraw/zinc/26/67/69/1017266769.db2.gz CFVCNKMRUSHLCK-RYUDHWBXSA-N -1 0 300.355 -0.201 20 0 DBADRM CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN(C)CC(=O)[O-] ZINC001598411929 1017267805 /nfs/dbraw/zinc/26/78/05/1017267805.db2.gz JEAPIFATHCPXNS-UHFFFAOYSA-N -1 0 313.276 -0.518 20 0 DBADRM O=C(c1c[nH]nc1[C@@H]1CCCO1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001464886175 1009353023 /nfs/dbraw/zinc/35/30/23/1009353023.db2.gz VDQXEHQYXFJZKP-VHSXEESVSA-N -1 0 319.325 -0.012 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)CCCc1nnn[n-]1 ZINC001465288376 1009368153 /nfs/dbraw/zinc/36/81/53/1009368153.db2.gz WWYYLKIEHHLDBA-IUCAKERBSA-N -1 0 301.372 -0.444 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)CSc2n[nH]c(=O)[n-]2)CC1=O ZINC001465480844 1009375576 /nfs/dbraw/zinc/37/55/76/1009375576.db2.gz VPRPDWNNECEQAT-GJMOJQLCSA-N -1 0 311.367 -0.272 20 0 DBADRM CCC[C@H](NC(=O)C[C@@]1(C)CCS(=O)(=O)N1)c1nnn[n-]1 ZINC001465684957 1009381985 /nfs/dbraw/zinc/38/19/85/1009381985.db2.gz FPQDAGZUZNSEDV-GZMMTYOYSA-N -1 0 316.387 -0.371 20 0 DBADRM C[C@@H]1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C[C@H]1O ZINC001466148804 1009404624 /nfs/dbraw/zinc/40/46/24/1009404624.db2.gz MKAJRVJIOXRXMQ-LDYMZIIASA-N -1 0 304.306 -0.281 20 0 DBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCc1nnc2n1CCCC2 ZINC001466329955 1009416318 /nfs/dbraw/zinc/41/63/18/1009416318.db2.gz JRKSHNJDUNFKNW-UHFFFAOYSA-N -1 0 323.382 -0.111 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H](O)c1ccc(OC)cc1 ZINC001466546660 1009428870 /nfs/dbraw/zinc/42/88/70/1009428870.db2.gz QQEIYNVMZJRYDQ-NSHDSACASA-N -1 0 306.326 -0.021 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(c2ccnc(C)n2)CC1 ZINC001466547067 1009429967 /nfs/dbraw/zinc/42/99/67/1009429967.db2.gz DIXZMONMSJCFGZ-UHFFFAOYSA-N -1 0 317.357 -0.433 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCc1nc([C@@H]2CCCO2)n[nH]1 ZINC001466547346 1009430219 /nfs/dbraw/zinc/43/02/19/1009430219.db2.gz NQCLIRTVAZTRPL-ZETCQYMHSA-N -1 0 307.318 -0.594 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001466547273 1009430277 /nfs/dbraw/zinc/43/02/77/1009430277.db2.gz LDHOFWWJMDQZPK-SFYZADRCSA-N -1 0 304.376 -0.600 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001466547274 1009430617 /nfs/dbraw/zinc/43/06/17/1009430617.db2.gz LDHOFWWJMDQZPK-YUMQZZPRSA-N -1 0 304.376 -0.600 20 0 DBADRM CNC(=O)N[C@H]1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC001466739190 1009444008 /nfs/dbraw/zinc/44/40/08/1009444008.db2.gz XBVIWRZBNMCZEM-ZETCQYMHSA-N -1 0 324.303 -0.027 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001466827261 1009447465 /nfs/dbraw/zinc/44/74/65/1009447465.db2.gz KKWKIDGXXDPPQM-ZEDNOMKYSA-N -1 0 308.367 -0.428 20 0 DBADRM CNC(=O)CCCC(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001448005300 1009447566 /nfs/dbraw/zinc/44/75/66/1009447566.db2.gz BJOSTJWGOHPHCA-SECBINFHSA-N -1 0 312.374 -0.637 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCc1ccc2c(c1)CCO2 ZINC001466860142 1009453902 /nfs/dbraw/zinc/45/39/02/1009453902.db2.gz FDARBCOACALLJV-UHFFFAOYSA-N -1 0 304.306 -0.017 20 0 DBADRM Cc1nnc(CC(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)o1 ZINC001448015682 1009457530 /nfs/dbraw/zinc/45/75/30/1009457530.db2.gz QPGDPFXVJKSIRN-ZETCQYMHSA-N -1 0 309.330 -0.619 20 0 DBADRM COC[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H](C)O1 ZINC001466970966 1009462915 /nfs/dbraw/zinc/46/29/15/1009462915.db2.gz ZQAABPLWXOZOOV-UWVGGRQHSA-N -1 0 314.342 -0.268 20 0 DBADRM O=C([C@@H]1CSCC(=O)N1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001448020812 1009465474 /nfs/dbraw/zinc/46/54/74/1009465474.db2.gz PPWGOCHYLQBPAO-BQBZGAKWSA-N -1 0 314.396 -0.952 20 0 DBADRM COc1cc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)nn1C ZINC001467279291 1009480770 /nfs/dbraw/zinc/48/07/70/1009480770.db2.gz BNPJJEWWAVYRHN-MRVPVSSYSA-N -1 0 309.355 -0.128 20 0 DBADRM C[C@]1(CC(=O)NCCc2n[n-]c(=S)o2)CCS(=O)(=O)N1 ZINC001467313583 1009483948 /nfs/dbraw/zinc/48/39/48/1009483948.db2.gz NTMWGSJDALKYQF-SNVBAGLBSA-N -1 0 320.396 -0.511 20 0 DBADRM C[C@@]1(C(=O)NCCc2n[n-]c(=S)o2)CCCS1(=O)=O ZINC001467314686 1009484639 /nfs/dbraw/zinc/48/46/39/1009484639.db2.gz VDKVNYWQSNMRQM-JTQLQIEISA-N -1 0 305.381 -0.016 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC001467350421 1009487837 /nfs/dbraw/zinc/48/78/37/1009487837.db2.gz SMAUAKCVPTUBQZ-RXMQYKEDSA-N -1 0 310.232 -0.246 20 0 DBADRM O=C(c1ccnc(C2CC2)n1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001467456703 1009493864 /nfs/dbraw/zinc/49/38/64/1009493864.db2.gz QEMKTWROSZBIIA-UHFFFAOYSA-N -1 0 315.337 -0.009 20 0 DBADRM CCc1nnsc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001467456733 1009497425 /nfs/dbraw/zinc/49/74/25/1009497425.db2.gz QRTDSELWHAKEPM-UHFFFAOYSA-N -1 0 309.355 -0.263 20 0 DBADRM COc1nccc(C(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001448062560 1009501687 /nfs/dbraw/zinc/50/16/87/1009501687.db2.gz CGWFRWZXGCNORI-QMMMGPOBSA-N -1 0 321.341 -0.441 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)C1=O ZINC001467666355 1009512198 /nfs/dbraw/zinc/51/21/98/1009512198.db2.gz UVJHOIUSGIXUJS-JRKPZEMJSA-N -1 0 322.325 -0.661 20 0 DBADRM CCS(=O)(=O)C1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001467658577 1009514152 /nfs/dbraw/zinc/51/41/52/1009514152.db2.gz IGCGMISARYLSFS-UHFFFAOYSA-N -1 0 318.355 -0.885 20 0 DBADRM CCOC(=O)[C@@H]1CSCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001467755761 1009516590 /nfs/dbraw/zinc/51/65/90/1009516590.db2.gz XXHGVSSNZVYSDB-YFKPBYRVSA-N -1 0 300.296 -0.639 20 0 DBADRM C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001467907070 1009531793 /nfs/dbraw/zinc/53/17/93/1009531793.db2.gz KGOVIVXYLAQLMN-RITPCOANSA-N -1 0 310.232 -0.133 20 0 DBADRM CCC[C@@H](C)C(=O)N[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001448107250 1009540120 /nfs/dbraw/zinc/54/01/20/1009540120.db2.gz SYDSCGRHPDOZFJ-BDAKNGLRSA-N -1 0 313.358 -0.254 20 0 DBADRM Cc1cnc(CN(C)[C@@H](C)CNC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001448123756 1009543721 /nfs/dbraw/zinc/54/37/21/1009543721.db2.gz RCLATKNUYJEDFQ-QMMMGPOBSA-N -1 0 324.341 -0.378 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c(=O)[nH]c1=O ZINC001448133324 1009554863 /nfs/dbraw/zinc/55/48/63/1009554863.db2.gz SHUQJDWZBOYNBS-ZETCQYMHSA-N -1 0 305.298 -0.981 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)CCCc1nnn[n-]1)C2 ZINC001468365747 1009560414 /nfs/dbraw/zinc/56/04/14/1009560414.db2.gz KGPUHRVMWWFQSX-UHFFFAOYSA-N -1 0 320.357 -0.655 20 0 DBADRM CN(C[C@@H](O)CN1CCO[C@H](C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001598436667 1017269591 /nfs/dbraw/zinc/26/95/91/1017269591.db2.gz QDWSNPNCFMRXSR-MNOVXSKESA-N -1 0 318.370 0.000 20 0 DBADRM CN(C[C@@H](O)CN1C[C@H](O)C[C@H]1C(=O)[O-])C(=O)OC(C)(C)C ZINC001598437118 1017269926 /nfs/dbraw/zinc/26/99/26/1017269926.db2.gz SWMRZTNFXIUVCZ-MXWKQRLJSA-N -1 0 318.370 -0.266 20 0 DBADRM CN(C[C@@H](O)CNc1ncc(C(=O)[O-])cn1)C(=O)[C@@H]1CCCO1 ZINC001598435338 1017270213 /nfs/dbraw/zinc/27/02/13/1017270213.db2.gz FLBPAGQVHATWOK-QWRGUYRKSA-N -1 0 324.337 -0.415 20 0 DBADRM CN(C[C@H](O)CNc1ccnc(C(=O)[O-])n1)C(=O)c1cocn1 ZINC001598435516 1017270760 /nfs/dbraw/zinc/27/07/60/1017270760.db2.gz FTORYTYIJMDOMP-MRVPVSSYSA-N -1 0 321.293 -0.870 20 0 DBADRM O=C(CN1C(=O)CCc2ccccc21)Nn1c(=O)[n-][nH]c1=O ZINC001468541053 1009570329 /nfs/dbraw/zinc/57/03/29/1009570329.db2.gz IOOMFFDAZCBKSK-UHFFFAOYSA-N -1 0 303.278 -0.261 20 0 DBADRM CN(C[C@@H]1COCCO1)C(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598466565 1017271859 /nfs/dbraw/zinc/27/18/59/1017271859.db2.gz CVXJFIISYCRUFX-OUAUKWLOSA-N -1 0 314.338 -0.818 20 0 DBADRM CC(C)(C)OC(=O)[C@@]1(C(=O)Nn2c(=O)[n-][nH]c2=O)CCCO1 ZINC001468542255 1009572800 /nfs/dbraw/zinc/57/28/00/1009572800.db2.gz WORIVSDFYFDXNB-LBPRGKRZSA-N -1 0 314.298 -0.350 20 0 DBADRM O=C(C[C@H](O)C(Cl)(Cl)Cl)Nn1c(=O)[n-][nH]c1=O ZINC001468541798 1009572949 /nfs/dbraw/zinc/57/29/49/1009572949.db2.gz CDOMBDCGUUPSQL-REOHCLBHSA-N -1 0 305.505 -0.119 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001598467379 1017272222 /nfs/dbraw/zinc/27/22/22/1017272222.db2.gz LFUBGBPUBRXBJI-VWYCJHECSA-N -1 0 314.338 -0.770 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@H](OCCO)C1 ZINC001598470989 1017272283 /nfs/dbraw/zinc/27/22/83/1017272283.db2.gz RXTOBTHFTFXGPO-JTQLQIEISA-N -1 0 310.372 -0.889 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@]12CCOC2=O ZINC001598470507 1017272547 /nfs/dbraw/zinc/27/25/47/1017272547.db2.gz MGNPPWVXTQCCMS-LLVKDONJSA-N -1 0 306.340 -0.581 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@H](c2cnccn2)C1 ZINC001598471261 1017273039 /nfs/dbraw/zinc/27/30/39/1017273039.db2.gz ZCAGNRUHTLVTOD-JTQLQIEISA-N -1 0 314.367 -0.083 20 0 DBADRM C[C@@H](NC(=O)CCc1nnn[n-]1)C(=O)NCCc1ccccc1 ZINC001468749924 1009585028 /nfs/dbraw/zinc/58/50/28/1009585028.db2.gz RMLHXHIPKAUGHH-LLVKDONJSA-N -1 0 316.365 -0.004 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001598473708 1017274215 /nfs/dbraw/zinc/27/42/15/1017274215.db2.gz IHOQPRKMVMIFCR-MNOVXSKESA-N -1 0 308.338 -0.261 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1ncn(C)n1 ZINC001598477495 1017274777 /nfs/dbraw/zinc/27/47/77/1017274777.db2.gz PDTRNUYIMAUBPQ-NXEZZACHSA-N -1 0 323.353 -0.544 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1nncn1C ZINC001598477410 1017275378 /nfs/dbraw/zinc/27/53/78/1017275378.db2.gz NTCJHRSQAMTIOY-GHMZBOCLSA-N -1 0 309.370 -0.184 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)c1ccncn1 ZINC001598478568 1017275738 /nfs/dbraw/zinc/27/57/38/1017275738.db2.gz BHOFDZBIBQUYID-ZJUUUORDSA-N -1 0 306.322 -0.224 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@H](C2OCCO2)C1 ZINC001598481046 1017276633 /nfs/dbraw/zinc/27/66/33/1017276633.db2.gz UHWVTJGDPRKQON-VIFPVBQESA-N -1 0 308.356 -0.668 20 0 DBADRM CC[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001448186701 1009601736 /nfs/dbraw/zinc/60/17/36/1009601736.db2.gz RMVZMPIASQYTAW-NXEZZACHSA-N -1 0 309.370 -0.391 20 0 DBADRM CN(CCCNC(=O)c1cncn1C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598481154 1017277292 /nfs/dbraw/zinc/27/72/92/1017277292.db2.gz IFKIOTZZMOXTBR-NXEZZACHSA-N -1 0 308.338 -0.281 20 0 DBADRM CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)CC(C)(C)O ZINC001598480250 1017277496 /nfs/dbraw/zinc/27/74/96/1017277496.db2.gz USJGBASHVZWVKR-NXEZZACHSA-N -1 0 300.355 -0.167 20 0 DBADRM CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)CC(C)(C)O ZINC001598480381 1017277572 /nfs/dbraw/zinc/27/75/72/1017277572.db2.gz USJGBASHVZWVKR-VHSXEESVSA-N -1 0 300.355 -0.167 20 0 DBADRM CN(CCCNC(=O)c1ccncn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598481275 1017278627 /nfs/dbraw/zinc/27/86/27/1017278627.db2.gz LGHBIQYKUBMOCO-UWVGGRQHSA-N -1 0 306.322 -0.224 20 0 DBADRM CNC(=O)NC1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001469003602 1009612425 /nfs/dbraw/zinc/61/24/25/1009612425.db2.gz QROMUDDMFQRFKE-UHFFFAOYSA-N -1 0 318.337 -0.444 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)CCc1c[nH]cn1 ZINC001598486548 1017279141 /nfs/dbraw/zinc/27/91/41/1017279141.db2.gz PYJTXQFMJGNSEZ-RYUDHWBXSA-N -1 0 322.365 -0.020 20 0 DBADRM CN(CCCNC(=O)c1ccncn1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598481276 1017279361 /nfs/dbraw/zinc/27/93/61/1017279361.db2.gz LGHBIQYKUBMOCO-VHSXEESVSA-N -1 0 306.322 -0.224 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1cnsn1 ZINC001598485420 1017280372 /nfs/dbraw/zinc/28/03/72/1017280372.db2.gz DDEISOZSYZQMFW-JGVFFNPUSA-N -1 0 312.351 -0.211 20 0 DBADRM CN(CCN1CCOCC1)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598488604 1017282936 /nfs/dbraw/zinc/28/29/36/1017282936.db2.gz HIOQUINEXVLKMZ-UHFFFAOYSA-N -1 0 318.355 -0.939 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)C1=O ZINC001469342717 1009652979 /nfs/dbraw/zinc/65/29/79/1009652979.db2.gz OFCFHAUBUYSLFJ-JGVFFNPUSA-N -1 0 312.326 -0.577 20 0 DBADRM O=C(N[C@H]([C@@H]1CCCO1)C1(CO)CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001469483901 1009655888 /nfs/dbraw/zinc/65/58/88/1009655888.db2.gz IVDYTFLSEMJPTH-WCBMZHEXSA-N -1 0 324.337 -0.277 20 0 DBADRM Cc1cc(CC(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)no1 ZINC001448275971 1009664023 /nfs/dbraw/zinc/66/40/23/1009664023.db2.gz DJROYRUPRGOXCU-SECBINFHSA-N -1 0 320.353 -0.014 20 0 DBADRM CCO[N-]C(=O)CNC(=O)[C@H](CNC(=O)OC(C)(C)C)OC ZINC001469795794 1009690192 /nfs/dbraw/zinc/69/01/92/1009690192.db2.gz OUESFLQGBOEKNF-VIFPVBQESA-N -1 0 319.358 -0.290 20 0 DBADRM CC(=O)N(C)c1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC001470206014 1009723077 /nfs/dbraw/zinc/72/30/77/1009723077.db2.gz LCXDTFOFVYVQMC-UHFFFAOYSA-N -1 0 319.321 -0.012 20 0 DBADRM CN1C(=O)CCC[C@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001448351140 1009729114 /nfs/dbraw/zinc/72/91/14/1009729114.db2.gz QZDAGVIVQXAIJH-VIFPVBQESA-N -1 0 308.342 -0.979 20 0 DBADRM Cc1ccnc2nc(C(=O)[N-]N3C(=O)[C@H](C)N(C)C3=O)nn21 ZINC001470307809 1009734393 /nfs/dbraw/zinc/73/43/93/1009734393.db2.gz IIWVUDSJKXGARS-ZETCQYMHSA-N -1 0 303.282 -0.640 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001448377486 1009738840 /nfs/dbraw/zinc/73/88/40/1009738840.db2.gz QNHOCSHSXCHDJL-LDYMZIIASA-N -1 0 315.337 -0.671 20 0 DBADRM CN(C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1)c1nnn[n-]1 ZINC001470571138 1009760510 /nfs/dbraw/zinc/76/05/10/1009760510.db2.gz IBTBTRXCAGUCLB-BDAKNGLRSA-N -1 0 320.334 -0.133 20 0 DBADRM Cc1cc(C)n(CC(=O)NCc2nc([O-])cc(=O)[nH]2)c(=O)n1 ZINC001470583463 1009766570 /nfs/dbraw/zinc/76/65/70/1009766570.db2.gz ZUPCVGNWEUNVAL-UHFFFAOYSA-N -1 0 305.294 -0.622 20 0 DBADRM Cc1nc2c(c(=O)[nH]1)CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C2 ZINC001470674177 1009777113 /nfs/dbraw/zinc/77/71/13/1009777113.db2.gz LZJYUKLPYMRLQW-UHFFFAOYSA-N -1 0 320.309 -0.184 20 0 DBADRM Cc1nn(C)c(N2CCC2)c1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001470666285 1009779189 /nfs/dbraw/zinc/77/91/89/1009779189.db2.gz FRKIQDCWBYSUGL-UHFFFAOYSA-N -1 0 307.314 -0.420 20 0 DBADRM O=C(CC(=O)N1CC[C@H](c2nnn[n-]2)C1)NCC(F)(F)F ZINC001471459683 1009823960 /nfs/dbraw/zinc/82/39/60/1009823960.db2.gz KPFIILADRKTAOL-LURJTMIESA-N -1 0 306.248 -0.416 20 0 DBADRM NC(=O)NCc1ccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cc1 ZINC001471460044 1009824683 /nfs/dbraw/zinc/82/46/83/1009824683.db2.gz NZBFFVLMAFIXFG-LLVKDONJSA-N -1 0 315.337 -0.002 20 0 DBADRM O=C(CCc1nnn[n-]1)NCC[C@]1(O)C(=O)Nc2ccccc21 ZINC001471643809 1009835348 /nfs/dbraw/zinc/83/53/48/1009835348.db2.gz JXOCWAOPLXIDIW-CQSZACIVSA-N -1 0 316.321 -0.522 20 0 DBADRM COCCn1nc(C(=O)NC2(c3nnn[n-]3)CCC2)ccc1=O ZINC001471659529 1009837408 /nfs/dbraw/zinc/83/74/08/1009837408.db2.gz IKLZKHVDAXSVPN-UHFFFAOYSA-N -1 0 319.325 -0.788 20 0 DBADRM Cn1nccc1C1(O)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001471669156 1009838775 /nfs/dbraw/zinc/83/87/75/1009838775.db2.gz CLYVTWBZAZFSJB-UHFFFAOYSA-N -1 0 320.309 -0.860 20 0 DBADRM CS(=O)(=O)c1ccc(CNC(=O)CCCc2nnn[n-]2)cn1 ZINC001471827828 1009847349 /nfs/dbraw/zinc/84/73/49/1009847349.db2.gz NNODZSSMDDAALP-UHFFFAOYSA-N -1 0 324.366 -0.363 20 0 DBADRM COC[C@@H](NC(=O)[C@@H]1CCN(CC(F)(F)F)C1)c1nnn[n-]1 ZINC001471845197 1009848280 /nfs/dbraw/zinc/84/82/80/1009848280.db2.gz HBEWZLPMGVAOQJ-HTQZYQBOSA-N -1 0 322.291 -0.112 20 0 DBADRM COC[C@@H](NC(=O)[C@H](O)CCc1ccccc1)c1nnn[n-]1 ZINC001471845077 1009848650 /nfs/dbraw/zinc/84/86/50/1009848650.db2.gz CUILTMNPVQUBLF-VXGBXAGGSA-N -1 0 305.338 -0.003 20 0 DBADRM COC[C@@H](NC(=O)C(=O)c1ccccc1OC)c1nnn[n-]1 ZINC001471845087 1009848916 /nfs/dbraw/zinc/84/89/16/1009848916.db2.gz CZIUWMPCBSTWFH-SECBINFHSA-N -1 0 305.294 -0.105 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CCn2cc(C)nc2C1)c1nnn[n-]1 ZINC001471845379 1009848972 /nfs/dbraw/zinc/84/89/72/1009848972.db2.gz LHTRCVCLEWAUEG-UWVGGRQHSA-N -1 0 305.342 -0.229 20 0 DBADRM CN(CCNC(=O)c1ccccc1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001448696776 1009849087 /nfs/dbraw/zinc/84/90/87/1009849087.db2.gz XUAGXSAKPRTYIC-UHFFFAOYSA-N -1 0 317.305 -0.215 20 0 DBADRM COC[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)c1nnn[n-]1 ZINC001471845023 1009849164 /nfs/dbraw/zinc/84/91/64/1009849164.db2.gz CGJQYSGPOUVNJW-MNOVXSKESA-N -1 0 316.321 -0.122 20 0 DBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cnn(CCOC)c2)C1=O ZINC001448765005 1009869246 /nfs/dbraw/zinc/86/92/46/1009869246.db2.gz ZHZNXRPBBNFOFH-ZDUSSCGKSA-N -1 0 309.326 -0.105 20 0 DBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cnn(CCOC)c2)C1=O ZINC001448764997 1009869976 /nfs/dbraw/zinc/86/99/76/1009869976.db2.gz ZHZNXRPBBNFOFH-CYBMUJFWSA-N -1 0 309.326 -0.105 20 0 DBADRM C[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1nn(C)cc1[O-] ZINC001472238070 1009875063 /nfs/dbraw/zinc/87/50/63/1009875063.db2.gz RSEOEASLCGMHJH-ZETCQYMHSA-N -1 0 309.326 -0.367 20 0 DBADRM O=C(NCc1cnc2n1CCOC2)c1c[n-]n2c1nccc2=O ZINC001472284612 1009878945 /nfs/dbraw/zinc/87/89/45/1009878945.db2.gz UOTIWZAXUJOLON-UHFFFAOYSA-N -1 0 314.305 -0.321 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2nnn(C)c2C)c1[O-] ZINC001448796890 1009879024 /nfs/dbraw/zinc/87/90/24/1009879024.db2.gz WTBDXGZVDTXBBZ-UHFFFAOYSA-N -1 0 321.341 -0.637 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)c2n[nH]nc2C)c1[O-] ZINC001448793003 1009879046 /nfs/dbraw/zinc/87/90/46/1009879046.db2.gz NDGSNCRUDHGANQ-UHFFFAOYSA-N -1 0 307.314 -0.648 20 0 DBADRM Cc1n[nH]c(C(=O)NCCN(C)C(=O)[C@@H]2CC(=O)N(C)C2)c1[O-] ZINC001448793375 1009879818 /nfs/dbraw/zinc/87/98/18/1009879818.db2.gz OBNYYJRPEMAYJL-SECBINFHSA-N -1 0 323.353 -0.910 20 0 DBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCc2cnccn2)c1 ZINC001472364530 1009883123 /nfs/dbraw/zinc/88/31/23/1009883123.db2.gz WCPPEEUIRKNDJL-UHFFFAOYSA-N -1 0 308.319 -0.240 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001472497824 1009887015 /nfs/dbraw/zinc/88/70/15/1009887015.db2.gz FFAQUPBOXDLRRJ-SSDOTTSWSA-N -1 0 301.328 -0.842 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2ccccn2)c1[O-] ZINC001448827813 1009916835 /nfs/dbraw/zinc/91/68/35/1009916835.db2.gz DMMWBSORDSPAPT-LLVKDONJSA-N -1 0 305.338 -0.301 20 0 DBADRM Nc1nc2nc(CN3CCC[C@@H]4CCNC(=O)[C@@H]43)cc(=O)n2[n-]1 ZINC001473745867 1009949013 /nfs/dbraw/zinc/94/90/13/1009949013.db2.gz XMAIDCVYYRPMFF-LDYMZIIASA-N -1 0 317.353 -0.900 20 0 DBADRM CCc1cccc(C(=O)NC[C@H](CO)NCc2n[nH]c(=O)[n-]2)n1 ZINC001448848291 1009970112 /nfs/dbraw/zinc/97/01/12/1009970112.db2.gz YGGKHGJETMSICF-SNVBAGLBSA-N -1 0 320.353 -0.652 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H]1CCC(=O)N(C)C1 ZINC001474986974 1009989019 /nfs/dbraw/zinc/98/90/19/1009989019.db2.gz PCYNFEBKYSMQPB-MRVPVSSYSA-N -1 0 316.335 -0.035 20 0 DBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)NCc1nc(=O)o[n-]1 ZINC001475365501 1010020534 /nfs/dbraw/zinc/02/05/34/1010020534.db2.gz ZATRYXOQENBPDE-ZETCQYMHSA-N -1 0 307.328 -0.486 20 0 DBADRM COC(=O)[C@H](CCF)[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001475453017 1010028830 /nfs/dbraw/zinc/02/88/30/1010028830.db2.gz GTONPZTTYXERHK-VIIUKITBSA-N -1 0 319.380 -0.704 20 0 DBADRM CCOC(=O)c1n[nH]c([C@@H](C)NS(=O)(=O)[C@H]2CCOC2)n1 ZINC001475480614 1010028928 /nfs/dbraw/zinc/02/89/28/1010028928.db2.gz BZMZDLBKQDWULR-SFYZADRCSA-N -1 0 318.355 -0.249 20 0 DBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cnn(C2CCC2)c1 ZINC001475458951 1010031340 /nfs/dbraw/zinc/03/13/40/1010031340.db2.gz QTNYFQUJHDJNDO-UHFFFAOYSA-N -1 0 302.356 -0.046 20 0 DBADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001448894059 1010031731 /nfs/dbraw/zinc/03/17/31/1010031731.db2.gz KAUXINKFWIQTQW-OPRDCNLKSA-N -1 0 311.386 -0.241 20 0 DBADRM CN(OCC(F)(F)F)C(=O)CNS(=O)(=O)c1ncc[n-]1 ZINC001475514470 1010034914 /nfs/dbraw/zinc/03/49/14/1010034914.db2.gz VDCIVWCYWWAXNH-UHFFFAOYSA-N -1 0 316.261 -0.360 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2Cc3cnn(C)c3C2)n[nH]1 ZINC001475538064 1010036966 /nfs/dbraw/zinc/03/69/66/1010036966.db2.gz SVZJJELDPDQSJI-UHFFFAOYSA-N -1 0 311.323 -0.366 20 0 DBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CC[C@@H]1CNC(=O)C1 ZINC001475655741 1010045129 /nfs/dbraw/zinc/04/51/29/1010045129.db2.gz GAZVMRDKDTUUAY-QMMMGPOBSA-N -1 0 316.335 -0.129 20 0 DBADRM CC[C@@H](F)C(=O)N(CCO)CCNc1ccnc(C(=O)[O-])n1 ZINC001595225959 1017080645 /nfs/dbraw/zinc/08/06/45/1017080645.db2.gz PKCAZWZXVFUNLI-SECBINFHSA-N -1 0 314.317 -0.422 20 0 DBADRM CC[C@H](NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C(C)(C)O ZINC001595228496 1017080750 /nfs/dbraw/zinc/08/07/50/1017080750.db2.gz GEIYVCISGBJAFH-QMMMGPOBSA-N -1 0 312.326 -0.278 20 0 DBADRM CC[C@](COC)(NS(=O)(=O)c1ccnn1COC)C(=O)[O-] ZINC001595199209 1017080766 /nfs/dbraw/zinc/08/07/66/1017080766.db2.gz WHBCALVUVKVHCG-LLVKDONJSA-N -1 0 321.355 -0.355 20 0 DBADRM CC[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@@H]1CCCOC1 ZINC001595230120 1017080996 /nfs/dbraw/zinc/08/09/96/1017080996.db2.gz OSBIXYCYGZYFQM-UTLUCORTSA-N -1 0 304.318 -0.153 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC001475746137 1010056241 /nfs/dbraw/zinc/05/62/41/1010056241.db2.gz VTUGDXBLOZAYJY-UHFFFAOYSA-N -1 0 316.261 -0.599 20 0 DBADRM COC[C@@H](O)C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC001475771116 1010059369 /nfs/dbraw/zinc/05/93/69/1010059369.db2.gz ABGZGPOJFUPSSN-WNWIJWBNSA-N -1 0 302.418 -0.276 20 0 DBADRM CC[C@@H](NC(=O)NCC1(C(=O)[O-])CC1)C(=O)N1CCOCC1 ZINC001595248637 1017082508 /nfs/dbraw/zinc/08/25/08/1017082508.db2.gz AYXATDSUJXLMGH-SNVBAGLBSA-N -1 0 313.354 -0.212 20 0 DBADRM CC[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C(C)(C)O ZINC001595243352 1017082720 /nfs/dbraw/zinc/08/27/20/1017082720.db2.gz ZTJHIPYLHMCONB-VHSXEESVSA-N -1 0 300.355 -0.025 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NC[C@H](O)COc1cccc(C)c1 ZINC001476594388 1010072711 /nfs/dbraw/zinc/07/27/11/1010072711.db2.gz OJYMBLCIKUKZAT-NSHDSACASA-N -1 0 320.353 -0.015 20 0 DBADRM CCn1[n-]nnc1=NC(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC001476594876 1010073767 /nfs/dbraw/zinc/07/37/67/1010073767.db2.gz GDNISFOQYYFFSE-SNVBAGLBSA-N -1 0 322.373 -0.474 20 0 DBADRM CCn1[n-]nnc1=NC(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC001476595136 1010074984 /nfs/dbraw/zinc/07/49/84/1010074984.db2.gz NFFAURSYHLHXQD-UHFFFAOYSA-N -1 0 321.320 -0.602 20 0 DBADRM CCC1(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)COC1 ZINC001595365006 1017083714 /nfs/dbraw/zinc/08/37/14/1017083714.db2.gz GKXKPTKIWWMEIK-HNNXBMFYSA-N -1 0 312.366 -0.199 20 0 DBADRM CC[C@]1(C(=O)NCCNc2ccnc(C(=O)[O-])n2)CCNC1=O ZINC001595367140 1017084313 /nfs/dbraw/zinc/08/43/13/1017084313.db2.gz ZCSVKHODLFMDTN-AWEZNQCLSA-N -1 0 321.337 -0.959 20 0 DBADRM CC[C@]1(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CCNC1=O ZINC001595366236 1017084515 /nfs/dbraw/zinc/08/45/15/1017084515.db2.gz WXYIHCLHGNGRBF-XPTSAGLGSA-N -1 0 314.338 -0.375 20 0 DBADRM CC[C@@]1(C)NC(=O)N(NC(=O)CCSCC(=O)[O-])C1=O ZINC001595371424 1017084882 /nfs/dbraw/zinc/08/48/82/1017084882.db2.gz CWIYSHKSHCJAQD-LLVKDONJSA-N -1 0 303.340 -0.054 20 0 DBADRM CC[C@H]1C(=O)NCCN1c1cc(C)nc2nc(C(=O)[O-])nn21 ZINC001595405021 1017086100 /nfs/dbraw/zinc/08/61/00/1017086100.db2.gz OGNJTGSVCMLEKD-QMMMGPOBSA-N -1 0 304.310 -0.154 20 0 DBADRM CC[C@H]1[C@H](CO)CCN1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001595407671 1017086433 /nfs/dbraw/zinc/08/64/33/1017086433.db2.gz HYAQFOCNTFHFHQ-QWRGUYRKSA-N -1 0 315.370 -0.230 20 0 DBADRM CC[C@H]1C(=O)NCCN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595402482 1017086687 /nfs/dbraw/zinc/08/66/87/1017086687.db2.gz ZXOXLEIETYAIHX-JTQLQIEISA-N -1 0 306.322 -0.071 20 0 DBADRM CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CCO1 ZINC001595472950 1017087601 /nfs/dbraw/zinc/08/76/01/1017087601.db2.gz WPCCEUJNQCWVGB-MXWKQRLJSA-N -1 0 314.338 -0.676 20 0 DBADRM CC[C@@H]1CN([C@@H](C)C(=O)NCC(=O)[O-])C[C@@H](C)S1(=O)=O ZINC001595482212 1017088048 /nfs/dbraw/zinc/08/80/48/1017088048.db2.gz DBBWMHWMFSBGTA-KXUCPTDWSA-N -1 0 306.384 -0.527 20 0 DBADRM CC[C@H]1CN(C)CCN1C(=O)C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001595483868 1017088091 /nfs/dbraw/zinc/08/80/91/1017088091.db2.gz MWNWRVLFAMDXRG-VIFPVBQESA-N -1 0 323.353 -0.391 20 0 DBADRM CC[C@@H](C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1)N1CCO[C@@H](CC)C1 ZINC001595484525 1017088134 /nfs/dbraw/zinc/08/81/34/1017088134.db2.gz RTXNZBDAIPNDFL-JUFZMCDQSA-N -1 0 314.382 -0.030 20 0 DBADRM CCCC(=O)N1CCCC[C@H]1C(=O)NCC(=O)NCC(=O)[O-] ZINC001595523259 1017088739 /nfs/dbraw/zinc/08/87/39/1017088739.db2.gz DLQTXFHQKCSWER-JTQLQIEISA-N -1 0 313.354 -0.515 20 0 DBADRM CCC[C@@H](C(=O)N1CCC[C@@]1(COC)C(=O)[O-])S(N)(=O)=O ZINC001595533161 1017089030 /nfs/dbraw/zinc/08/90/30/1017089030.db2.gz SXAOTTRREDNDKX-JOYOIKCWSA-N -1 0 322.383 -0.464 20 0 DBADRM CC[C@@](COC)(NS(=O)(=O)CCn1ccnc1)C(=O)[O-] ZINC001595199443 1017080267 /nfs/dbraw/zinc/08/02/67/1017080267.db2.gz GVNHUAINJFAKMS-NSHDSACASA-N -1 0 305.356 -0.318 20 0 DBADRM C[C@@H](CC(N)=O)C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001479237006 1010211906 /nfs/dbraw/zinc/21/19/06/1010211906.db2.gz CZTWNZCSVZHYOZ-DTWKUNHWSA-N -1 0 310.358 -0.946 20 0 DBADRM CN(CCNC(=O)[C@]1(C)CCNC1=O)c1ccnc(C(=O)[O-])n1 ZINC001598489709 1017283155 /nfs/dbraw/zinc/28/31/55/1017283155.db2.gz WECSQRUQEIKDTI-CQSZACIVSA-N -1 0 321.337 -0.747 20 0 DBADRM CN(CCN1CCOC(C)(C)C1)C(=O)NCCOCC(=O)[O-] ZINC001598488037 1017283337 /nfs/dbraw/zinc/28/33/37/1017283337.db2.gz GFIZCUZIWBYISO-UHFFFAOYSA-N -1 0 317.386 -0.160 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1nnnn1C(C)(C)C ZINC001598490407 1017283799 /nfs/dbraw/zinc/28/37/99/1017283799.db2.gz GYMRDPAKHKQZGG-UWVGGRQHSA-N -1 0 324.385 -0.303 20 0 DBADRM CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1ncnn1CCF ZINC001598491760 1017283827 /nfs/dbraw/zinc/28/38/27/1017283827.db2.gz UKNUICBVOOGWCR-VHSXEESVSA-N -1 0 313.333 -0.484 20 0 DBADRM CN(CCNC(=O)Cc1ccn(C)n1)c1ccnc(C(=O)[O-])n1 ZINC001598491018 1017284974 /nfs/dbraw/zinc/28/49/74/1017284974.db2.gz SAGDSFAWXJYSBO-UHFFFAOYSA-N -1 0 318.337 -0.297 20 0 DBADRM CN(CCNC(=O)c1cc[n+]([O-])cc1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598492036 1017285175 /nfs/dbraw/zinc/28/51/75/1017285175.db2.gz CKRUDSCIUAEOQV-QWRGUYRKSA-N -1 0 307.306 -0.771 20 0 DBADRM COCC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001479380347 1010271285 /nfs/dbraw/zinc/27/12/85/1010271285.db2.gz IIIOJBRYVUKXFV-XYPYZODXSA-N -1 0 323.397 -0.481 20 0 DBADRM CN(CCNC(=O)[C@H]1CCC(=O)N1C)c1ncc(C(=O)[O-])cn1 ZINC001598490781 1017286036 /nfs/dbraw/zinc/28/60/36/1017286036.db2.gz FOTNONGUSASRRZ-SNVBAGLBSA-N -1 0 321.337 -0.652 20 0 DBADRM CN(C)c1noc(CNCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001598494963 1017287247 /nfs/dbraw/zinc/28/72/47/1017287247.db2.gz CURAEPAWFCCJPA-BDAKNGLRSA-N -1 0 311.342 -0.596 20 0 DBADRM CN(CCNC(=O)c1cn(C)ccc1=O)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598493299 1017287957 /nfs/dbraw/zinc/28/79/57/1017287957.db2.gz VWCUUXZRWLEMDS-VHSXEESVSA-N -1 0 321.333 -0.706 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001598494206 1017288345 /nfs/dbraw/zinc/28/83/45/1017288345.db2.gz OOMGVPMRJLTLFG-UHFFFAOYSA-N -1 0 317.327 -0.812 20 0 DBADRM CN(CCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)CC(F)F ZINC001598494086 1017288674 /nfs/dbraw/zinc/28/86/74/1017288674.db2.gz LWINLTOLHMMHBH-UHFFFAOYSA-N -1 0 312.298 -0.417 20 0 DBADRM CN(CCNS(C)(=O)=O)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001598494027 1017288776 /nfs/dbraw/zinc/28/87/76/1017288776.db2.gz KOSSTAQNORYKNV-VHSXEESVSA-N -1 0 322.383 -0.736 20 0 DBADRM CNC(=O)NC[C@H]1CCCCN1C(=O)NCC(=O)[N-]OC ZINC001479462686 1010291712 /nfs/dbraw/zinc/29/17/12/1010291712.db2.gz BZGXRXMIEQOXEL-SECBINFHSA-N -1 0 301.347 -0.843 20 0 DBADRM CN(CCO)CCNS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001598496422 1017290432 /nfs/dbraw/zinc/29/04/32/1017290432.db2.gz HYXOSNVYPNFYGL-UHFFFAOYSA-N -1 0 322.427 -0.135 20 0 DBADRM CN(CCNCc1nnnn1C1CC1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598495455 1017290740 /nfs/dbraw/zinc/29/07/40/1017290740.db2.gz LATRBKQBELXNHN-NXEZZACHSA-N -1 0 308.342 -0.723 20 0 DBADRM C[N@H+](CC[N-]S(=O)(=O)N=S1(=O)CCCC1)CC(=O)[O-] ZINC001598495471 1017291267 /nfs/dbraw/zinc/29/12/67/1017291267.db2.gz LKMFGPZETZYSPM-UHFFFAOYSA-N -1 0 313.401 -0.901 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)[C@H]1CCC(=O)N1C ZINC001598495304 1017291656 /nfs/dbraw/zinc/29/16/56/1017291656.db2.gz DSFAWZGCEDPMQY-SECBINFHSA-N -1 0 321.337 -0.912 20 0 DBADRM CN(CCS(N)(=O)=O)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001598500578 1017292825 /nfs/dbraw/zinc/29/28/25/1017292825.db2.gz JQQYRGDBVOCRRP-UHFFFAOYSA-N -1 0 315.351 -0.456 20 0 DBADRM CN(Cc1cc[nH]n1)CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001598508906 1017293291 /nfs/dbraw/zinc/29/32/91/1017293291.db2.gz LCXMXOQLUQZJQG-ZDUSSCGKSA-N -1 0 309.326 -0.026 20 0 DBADRM CN(CCS(C)(=O)=O)S(=O)(=O)CCCCCC(=O)[O-] ZINC001598499608 1017293634 /nfs/dbraw/zinc/29/36/34/1017293634.db2.gz WUAJEESURKVRFT-UHFFFAOYSA-N -1 0 315.413 -0.062 20 0 DBADRM CN(CCOCCNC(=O)C(F)F)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598498084 1017293674 /nfs/dbraw/zinc/29/36/74/1017293674.db2.gz QCTGRTLSLZUSAV-JGVFFNPUSA-N -1 0 308.281 -0.437 20 0 DBADRM CN(CCOc1ccccc1)C(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001598499280 1017293762 /nfs/dbraw/zinc/29/37/62/1017293762.db2.gz IJSQSJINEIBQJL-UHFFFAOYSA-N -1 0 322.317 -0.818 20 0 DBADRM CN(C[C@H](O)CO)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001598503230 1017294085 /nfs/dbraw/zinc/29/40/85/1017294085.db2.gz HRIYBQDCZNJBHM-NSHDSACASA-N -1 0 322.321 -0.062 20 0 DBADRM CN(Cc1nncn1C)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001598540782 1017294856 /nfs/dbraw/zinc/29/48/56/1017294856.db2.gz MWXDLCIPSQMCLB-UHFFFAOYSA-N -1 0 311.323 -0.271 20 0 DBADRM CN(Cc1cn(C)nn1)C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001598533136 1017295268 /nfs/dbraw/zinc/29/52/68/1017295268.db2.gz GGWHHVVYTWEUCL-UHFFFAOYSA-N -1 0 309.326 -0.903 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001598540069 1017295942 /nfs/dbraw/zinc/29/59/42/1017295942.db2.gz LSNXOUACYRTOEP-GWOFURMSSA-N -1 0 307.368 -0.349 20 0 DBADRM C[C@H](C(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1)n1cncn1 ZINC001479767387 1010367988 /nfs/dbraw/zinc/36/79/88/1010367988.db2.gz OEKDPJYCIAIADQ-SECBINFHSA-N -1 0 308.346 -0.699 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CN(C)Cc2cnon2)c1[O-] ZINC001449200227 1010373311 /nfs/dbraw/zinc/37/33/11/1010373311.db2.gz KHHTZEWIZACLKZ-JTQLQIEISA-N -1 0 324.341 -0.628 20 0 DBADRM CC(C)OCC(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001449203729 1010377941 /nfs/dbraw/zinc/37/79/41/1010377941.db2.gz VXTYMZIRIRNIKM-SNVBAGLBSA-N -1 0 315.374 -0.814 20 0 DBADRM COCCN(CCNC(=O)[C@H]1CCOC1)Cc1n[nH]c(=O)[n-]1 ZINC001449331130 1010437083 /nfs/dbraw/zinc/43/70/83/1010437083.db2.gz ZLELCAPZVBUQGX-JTQLQIEISA-N -1 0 313.358 -0.889 20 0 DBADRM CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C[C@H]1C[C@@H]1C ZINC001449462959 1010481471 /nfs/dbraw/zinc/48/14/71/1010481471.db2.gz OIDUAOWSNNLOPB-DTWKUNHWSA-N -1 0 323.353 -0.093 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)C1CCC1 ZINC001449475399 1010484206 /nfs/dbraw/zinc/48/42/06/1010484206.db2.gz IELPHDYJXMFMIO-UHFFFAOYSA-N -1 0 311.342 -0.546 20 0 DBADRM CCC(=O)N(C)C[C@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001449474888 1010484639 /nfs/dbraw/zinc/48/46/39/1010484639.db2.gz WVERKGGNOXBFJN-SECBINFHSA-N -1 0 311.342 -0.451 20 0 DBADRM O=C(CC1CC1)NC[C@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001449547803 1010505873 /nfs/dbraw/zinc/50/58/73/1010505873.db2.gz IJLUZNWWTVHCJA-SNVBAGLBSA-N -1 0 323.353 -0.403 20 0 DBADRM CCN(CCNC(=O)[C@@H]1CC12CC2)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001449556763 1010507689 /nfs/dbraw/zinc/50/76/89/1010507689.db2.gz XILREJQFRMEFCT-QMMMGPOBSA-N -1 0 321.337 -0.339 20 0 DBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H](C)NC(=O)C(C)(F)F ZINC001449560826 1010508862 /nfs/dbraw/zinc/50/88/62/1010508862.db2.gz OYYNFSBOTLDMNF-RFZPGFLSSA-N -1 0 319.268 -0.439 20 0 DBADRM C[C@@H](NC(=O)C(C)(C)F)[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001449560403 1010510508 /nfs/dbraw/zinc/51/05/08/1010510508.db2.gz NMWMXLHKIVJUCU-NKWVEPMBSA-N -1 0 317.321 -0.553 20 0 DBADRM CCC[C@H](C(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-])S(N)(=O)=O ZINC001595531888 1017089517 /nfs/dbraw/zinc/08/95/17/1017089517.db2.gz AYMMGRZIMCXHRT-IVZWLZJFSA-N -1 0 322.383 -0.466 20 0 DBADRM CCCC(=O)NCC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001595527510 1017089541 /nfs/dbraw/zinc/08/95/41/1017089541.db2.gz KUJQQULDTOGXLR-NXEZZACHSA-N -1 0 313.354 -0.802 20 0 DBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H](C)NC(=O)C1(C)CC1 ZINC001449664855 1010541127 /nfs/dbraw/zinc/54/11/27/1010541127.db2.gz HJGNAUOVVXFBEF-BDAKNGLRSA-N -1 0 322.365 -0.091 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NC(=O)Cn2ccnc2)c1[O-] ZINC001449669366 1010541415 /nfs/dbraw/zinc/54/14/15/1010541415.db2.gz WTHUKIPWSMEQAC-IUCAKERBSA-N -1 0 320.353 -0.057 20 0 DBADRM O=C(CC1CC1)NCCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001449778709 1010562038 /nfs/dbraw/zinc/56/20/38/1010562038.db2.gz NNALZFMWXXNIFA-UHFFFAOYSA-N -1 0 323.353 -0.403 20 0 DBADRM CCCC[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)C(N)=O ZINC001595633549 1017094367 /nfs/dbraw/zinc/09/43/67/1017094367.db2.gz NWNNPXYBYYCAQU-VIFPVBQESA-N -1 0 309.326 -0.253 20 0 DBADRM CCC[C@@]1(C)C(=O)NCCN1CCc1cn(CC(=O)[O-])nn1 ZINC001595616452 1017094407 /nfs/dbraw/zinc/09/44/07/1017094407.db2.gz WJQDADYDBILHEX-AWEZNQCLSA-N -1 0 309.370 -0.104 20 0 DBADRM CN(C)C(=O)C1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCCCC1 ZINC001449834104 1010575264 /nfs/dbraw/zinc/57/52/64/1010575264.db2.gz NZAWPOWXCPUEGF-UHFFFAOYSA-N -1 0 311.342 -0.403 20 0 DBADRM CCCC[C@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)C(N)=O ZINC001595633548 1017095733 /nfs/dbraw/zinc/09/57/33/1017095733.db2.gz NWNNPXYBYYCAQU-SECBINFHSA-N -1 0 309.326 -0.253 20 0 DBADRM CCCC[C@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC001595635857 1017096561 /nfs/dbraw/zinc/09/65/61/1017096561.db2.gz NTWYRPQCJZCJKX-VIFPVBQESA-N -1 0 318.355 -0.710 20 0 DBADRM CCCCNC(=O)CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001595754877 1017097620 /nfs/dbraw/zinc/09/76/20/1017097620.db2.gz VOCJKVXKCAJMFG-OAHLLOKOSA-N -1 0 313.398 -0.236 20 0 DBADRM CCCCN(CCO)C(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001595744427 1017098622 /nfs/dbraw/zinc/09/86/22/1017098622.db2.gz FLFBYAUHGPTPIN-AWEZNQCLSA-N -1 0 316.354 -0.691 20 0 DBADRM CCCCCCNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001595712197 1017098962 /nfs/dbraw/zinc/09/89/62/1017098962.db2.gz KAZNTZWGSKZHGM-WDEREUQCSA-N -1 0 300.355 -0.023 20 0 DBADRM CN1C(=O)CN(CC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1=O ZINC001598550921 1017298489 /nfs/dbraw/zinc/29/84/89/1017298489.db2.gz FTWJLJOLMKLLFO-MEBBXXQBSA-N -1 0 323.349 -0.016 20 0 DBADRM CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CCN1CCOC1=O ZINC001598543190 1017299127 /nfs/dbraw/zinc/29/91/27/1017299127.db2.gz WVMKURICEHUTLX-DTORHVGOSA-N -1 0 306.340 -0.437 20 0 DBADRM CN1C[C@H](N2C(=O)[C@@H]3C[C@@H](C(=O)[O-])CCN3C2=O)CCC1=O ZINC001598568082 1017309777 /nfs/dbraw/zinc/30/97/77/1017309777.db2.gz NZTHEGRMAGGSPZ-AEJSXWLSSA-N -1 0 309.322 -0.265 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)NC[C@]1(C(=O)[O-])CCOC1 ZINC001598553929 1017300152 /nfs/dbraw/zinc/30/01/52/1017300152.db2.gz PURONBDTMDDFSI-GFSSTFBJSA-N -1 0 300.336 -0.360 20 0 DBADRM CN1C(=O)CS/C1=C\C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001598554334 1017300463 /nfs/dbraw/zinc/30/04/63/1017300463.db2.gz YRFAQHNOHQNWOZ-WMZJFQQLSA-N -1 0 311.323 -0.861 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)/C=C1\SCC(=O)N1C)C(=O)[O-] ZINC001598553698 1017301112 /nfs/dbraw/zinc/30/11/12/1017301112.db2.gz NGQOGBLAGIUDOK-GULOHRGCSA-N -1 0 310.335 -0.291 20 0 DBADRM CN1C(=O)CO[C@@H](C(=O)NCCCC(=O)[O-])[C@@H]1c1cccnc1 ZINC001598552668 1017301261 /nfs/dbraw/zinc/30/12/61/1017301261.db2.gz MNIQFQGVIDZABX-UONOGXRCSA-N -1 0 321.333 -0.039 20 0 DBADRM CN1C(=O)CN(CC(=O)O[C@@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1=O ZINC001598551941 1017301587 /nfs/dbraw/zinc/30/15/87/1017301587.db2.gz WRSHMUDMMARYQD-UTINFBMNSA-N -1 0 310.306 -0.077 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001598553935 1017301628 /nfs/dbraw/zinc/30/16/28/1017301628.db2.gz PWCNKMKVTGYSTH-SYNIEDPSSA-N -1 0 316.335 -0.635 20 0 DBADRM CN1C(=O)CS/C1=C/C(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001598553932 1017302092 /nfs/dbraw/zinc/30/20/92/1017302092.db2.gz PURONBDTMDDFSI-YCGNWBHESA-N -1 0 300.336 -0.360 20 0 DBADRM CN1C[C@@H](C(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])CC1=O ZINC001598559394 1017302920 /nfs/dbraw/zinc/30/29/20/1017302920.db2.gz JAMRSZAEOTZOLM-NEPJUHHUSA-N -1 0 305.334 -0.081 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)CCC(=O)OC(C)(C)C)CC1=O ZINC001598561212 1017303576 /nfs/dbraw/zinc/30/35/76/1017303576.db2.gz AYGNHDCBJFZJAF-SECBINFHSA-N -1 0 314.338 -0.138 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)C2=C[S@@](=O)CCC2)CC1=O ZINC001598561208 1017304020 /nfs/dbraw/zinc/30/40/20/1017304020.db2.gz AWHWSUFOFMWQMD-LXGOIASLSA-N -1 0 300.336 -0.833 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)Cc2ccc3c[nH]nc3c2)CC1=O ZINC001598561663 1017304185 /nfs/dbraw/zinc/30/41/85/1017304185.db2.gz CQXDDCANGQULJG-LBPRGKRZSA-N -1 0 316.317 -0.141 20 0 DBADRM CCn1cc(CN[C@@H](C)CNC(=O)c2[nH]nc(C)c2[O-])nn1 ZINC001480450144 1010644038 /nfs/dbraw/zinc/64/40/38/1010644038.db2.gz YSARGORBWIAOOP-QMMMGPOBSA-N -1 0 307.358 -0.057 20 0 DBADRM CCCC(=O)N1CC(CCO)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001450161190 1010651257 /nfs/dbraw/zinc/65/12/57/1010651257.db2.gz OAOJJKCVJBEIJH-UHFFFAOYSA-N -1 0 310.354 -0.083 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C[C@@H](O)C[C@](C)(O)C2CC2)CC1=O ZINC001598563898 1017308318 /nfs/dbraw/zinc/30/83/18/1017308318.db2.gz QBDKZKDSWNZHPQ-WDMOLILDSA-N -1 0 300.355 -0.874 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CCc3nccn3C2)CC1=O ZINC001598564075 1017308447 /nfs/dbraw/zinc/30/84/47/1017308447.db2.gz WMSVXVBCTHLYAN-ZJUUUORDSA-N -1 0 306.322 -0.801 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc(C(N)=O)s2)CC1=O ZINC001598563642 1017308561 /nfs/dbraw/zinc/30/85/61/1017308561.db2.gz UGPMKGVAVSTEHO-ZCFIWIBFSA-N -1 0 311.319 -0.786 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccnc(C3CC3)n2)CC1=O ZINC001598563985 1017308594 /nfs/dbraw/zinc/30/85/94/1017308594.db2.gz XLCTYOZPSPFHFH-JTQLQIEISA-N -1 0 304.306 -0.279 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ncc3c(F)cccn32)CC1=O ZINC001598563847 1017308772 /nfs/dbraw/zinc/30/87/72/1017308772.db2.gz OYTHTCPIFNSNRP-JTQLQIEISA-N -1 0 320.280 -0.159 20 0 DBADRM CN1C[C@H](CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)OC1=O ZINC001598567025 1017309327 /nfs/dbraw/zinc/30/93/27/1017309327.db2.gz OZNYQMLBILNAQW-RISCZKNCSA-N -1 0 313.354 -0.702 20 0 DBADRM CN1C[C@@H](NC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)CC1=O ZINC001598567980 1017309608 /nfs/dbraw/zinc/30/96/08/1017309608.db2.gz MIPABZAIOZHGQH-QMMMGPOBSA-N -1 0 307.310 -0.553 20 0 DBADRM CN1C(=O)C[C@H](NC(=O)CCCn2ccc(C(=O)[O-])n2)C1=O ZINC001598547276 1017297724 /nfs/dbraw/zinc/29/77/24/1017297724.db2.gz CJMIBPHLQLFYHV-VIFPVBQESA-N -1 0 308.294 -0.765 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC001450549528 1010755526 /nfs/dbraw/zinc/75/55/26/1010755526.db2.gz IVLNRKVVVWMCSR-XHDPSFHLSA-N -1 0 318.333 -0.028 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC001450549518 1010756358 /nfs/dbraw/zinc/75/63/58/1010756358.db2.gz IVLNRKVVVWMCSR-ABAIWWIYSA-N -1 0 318.333 -0.028 20 0 DBADRM CCCn1nnnc1CN(C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001480855906 1010779453 /nfs/dbraw/zinc/77/94/53/1010779453.db2.gz MNPUJKFJYIQMHU-UHFFFAOYSA-N -1 0 322.373 -0.318 20 0 DBADRM Cc1cc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)no1 ZINC001480886807 1010791986 /nfs/dbraw/zinc/79/19/86/1010791986.db2.gz VQROXLKATCAJIF-UHFFFAOYSA-N -1 0 308.298 -0.559 20 0 DBADRM Cc1ncc(CN(C)CCNC(=O)c2n[nH]c(=O)[n-]c2=O)s1 ZINC001480886827 1010793363 /nfs/dbraw/zinc/79/33/63/1010793363.db2.gz WIRDRJIBDMZTMR-UHFFFAOYSA-N -1 0 324.366 -0.090 20 0 DBADRM CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001450729036 1010794408 /nfs/dbraw/zinc/79/44/08/1010794408.db2.gz BMYASXJFJXCZDD-UWVGGRQHSA-N -1 0 309.326 -0.699 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCOCC(F)(F)C1 ZINC001450825530 1010803071 /nfs/dbraw/zinc/80/30/71/1010803071.db2.gz FZZYLRXBSDKQQC-UHFFFAOYSA-N -1 0 306.269 -0.036 20 0 DBADRM C[C@H](CN(C)C(=O)[C@H](C)C1CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001451004293 1010835861 /nfs/dbraw/zinc/83/58/61/1010835861.db2.gz VVWBTASLCUZIRW-HTQZYQBOSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C(CCc1c[nH]cn1)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481096546 1010841560 /nfs/dbraw/zinc/84/15/60/1010841560.db2.gz SNQGTQGGVRLLHS-SNVBAGLBSA-N -1 0 319.369 -0.196 20 0 DBADRM COCCNC(=O)C1(NC(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001451050381 1010843258 /nfs/dbraw/zinc/84/32/58/1010843258.db2.gz YJNITIGNCZXRKK-UHFFFAOYSA-N -1 0 315.355 -0.986 20 0 DBADRM CCC(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCCC1 ZINC001451143768 1010857160 /nfs/dbraw/zinc/85/71/60/1010857160.db2.gz CBRLLOHUQUEWMD-UHFFFAOYSA-N -1 0 309.326 -0.148 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC12CC2 ZINC001451150908 1010859140 /nfs/dbraw/zinc/85/91/40/1010859140.db2.gz HQWYLINXHBNOKF-YUMQZZPRSA-N -1 0 321.337 -0.340 20 0 DBADRM CCCCOCCN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001481569599 1010915456 /nfs/dbraw/zinc/91/54/56/1010915456.db2.gz IMTACYWNENUHOE-UHFFFAOYSA-N -1 0 311.342 -0.487 20 0 DBADRM O=C(CCc1cnccn1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481593556 1010926220 /nfs/dbraw/zinc/92/62/20/1010926220.db2.gz CLMLPYYUJZYMRD-UHFFFAOYSA-N -1 0 303.326 -0.767 20 0 DBADRM O=C(CCCn1cccn1)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481603324 1010930316 /nfs/dbraw/zinc/93/03/16/1010930316.db2.gz QCNJUSUWCMLUMV-UHFFFAOYSA-N -1 0 305.342 -0.512 20 0 DBADRM O=C(CCc1cn[nH]c1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481649547 1010951259 /nfs/dbraw/zinc/95/12/59/1010951259.db2.gz ONESTFAAXWHFGJ-UHFFFAOYSA-N -1 0 305.342 -0.586 20 0 DBADRM CN(C)C(=O)CCCC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481654678 1010952925 /nfs/dbraw/zinc/95/29/25/1010952925.db2.gz IAZPGVBTTQGQLQ-UHFFFAOYSA-N -1 0 324.385 -0.683 20 0 DBADRM CN(C(=O)CNC(=O)C1CC1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481715608 1010977564 /nfs/dbraw/zinc/97/75/64/1010977564.db2.gz NFEAWKPLNAXTHQ-SNVBAGLBSA-N -1 0 322.369 -0.931 20 0 DBADRM CC(=O)N1CC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001451623998 1011013111 /nfs/dbraw/zinc/01/31/11/1011013111.db2.gz ZGIPECNNBDLNFC-CBAPKCEASA-N -1 0 309.326 -0.659 20 0 DBADRM CC(=O)N[C@@H]1C[C@H](C)N(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001451661753 1011021487 /nfs/dbraw/zinc/02/14/87/1011021487.db2.gz BQLVMOYRTRJGBE-WCBMZHEXSA-N -1 0 311.342 -0.405 20 0 DBADRM CC(C)[C@H](CNC(=O)[C@H]1COCCO1)NC(=O)c1cn[nH]n1 ZINC001451901478 1011070596 /nfs/dbraw/zinc/07/05/96/1011070596.db2.gz OPQSREMDJNURAW-GXSJLCMTSA-N -1 0 311.342 -0.909 20 0 DBADRM CC(C)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(F)F ZINC001452004590 1011095404 /nfs/dbraw/zinc/09/54/04/1011095404.db2.gz PMVHWBVYEBQEPU-RXMQYKEDSA-N -1 0 319.268 -0.582 20 0 DBADRM C[C@@H](CNCc1ncccn1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001482306301 1011114923 /nfs/dbraw/zinc/11/49/23/1011114923.db2.gz GYMXQLWTOTZHNW-QMMMGPOBSA-N -1 0 319.325 -0.677 20 0 DBADRM Cc1conc1CNC[C@@H](C)N(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001482358999 1011128479 /nfs/dbraw/zinc/12/84/79/1011128479.db2.gz YGONIHMCPGCYSA-SECBINFHSA-N -1 0 324.341 -0.378 20 0 DBADRM CCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001452238226 1011131360 /nfs/dbraw/zinc/13/13/60/1011131360.db2.gz PCVTVIYHYHCVCH-DTWKUNHWSA-N -1 0 311.342 -0.500 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)C2=COCCC2)c1[O-] ZINC001452297168 1011174227 /nfs/dbraw/zinc/17/42/27/1011174227.db2.gz FLHCCOUOKOFTBO-SNVBAGLBSA-N -1 0 324.337 -0.675 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)CCC(F)F)c1[O-] ZINC001452310029 1011183817 /nfs/dbraw/zinc/18/38/17/1011183817.db2.gz MCBLDTJJBXBTME-ZETCQYMHSA-N -1 0 320.296 -0.324 20 0 DBADRM Cc1ccnc(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001482593320 1011201477 /nfs/dbraw/zinc/20/14/77/1011201477.db2.gz HBIZECDUOSTFOT-UHFFFAOYSA-N -1 0 305.342 -0.187 20 0 DBADRM CN(CCN(C)C(=O)[C@H]1C[C@]12CCOC2)Cc1n[nH]c(=O)[n-]1 ZINC001482641849 1011243462 /nfs/dbraw/zinc/24/34/62/1011243462.db2.gz YNJDNKGXYVUPIF-YGRLFVJLSA-N -1 0 309.370 -0.173 20 0 DBADRM CN(CCN(C)C(=O)c1cccn(C)c1=O)Cc1n[nH]c(=O)[n-]1 ZINC001482643026 1011248298 /nfs/dbraw/zinc/24/82/98/1011248298.db2.gz BMLKLULQAVPJRK-UHFFFAOYSA-N -1 0 320.353 -0.587 20 0 DBADRM CCC(=O)NCCC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001452542102 1011296362 /nfs/dbraw/zinc/29/63/62/1011296362.db2.gz FUIQMEKRBRLTGB-UHFFFAOYSA-N -1 0 311.342 -0.498 20 0 DBADRM CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001452638200 1011329994 /nfs/dbraw/zinc/32/99/94/1011329994.db2.gz BIYMLPGHRSYBRW-GHMZBOCLSA-N -1 0 308.338 -0.326 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(S(=O)(=O)CCC(C)(F)F)CC1=O ZINC001598566289 1017310132 /nfs/dbraw/zinc/31/01/32/1017310132.db2.gz SVLKWKNPTFGBEO-SSDOTTSWSA-N -1 0 314.310 -0.411 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)Cc2ccc3n[nH]cc3c2)CC1=O ZINC001598565750 1017310476 /nfs/dbraw/zinc/31/04/76/1017310476.db2.gz ZYYTYIVUDSIDHN-LBPRGKRZSA-N -1 0 316.317 -0.141 20 0 DBADRM CN1C[C@H](CCNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1=O ZINC001598566594 1017310651 /nfs/dbraw/zinc/31/06/51/1017310651.db2.gz XZYHUQRUWVLNEV-OUAUKWLOSA-N -1 0 313.354 -0.668 20 0 DBADRM CN1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC001598568052 1017311056 /nfs/dbraw/zinc/31/10/56/1017311056.db2.gz BCQDBLCKSLUVKM-DVYJOKAKSA-N -1 0 313.379 -0.290 20 0 DBADRM CN1C[C@@H](NC(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)CCC1=O ZINC001598568416 1017311575 /nfs/dbraw/zinc/31/15/75/1017311575.db2.gz RIFFVLUVGIBZBJ-XPTSAGLGSA-N -1 0 324.337 -0.378 20 0 DBADRM CN1CC2(CN(S(=O)(=O)CC3(C(=O)[O-])CCC3)C2)OC1=O ZINC001598571600 1017312573 /nfs/dbraw/zinc/31/25/73/1017312573.db2.gz CYBYAPWAGLRDGB-UHFFFAOYSA-N -1 0 318.351 -0.293 20 0 DBADRM CN1CC2(CN(C(=O)Cc3ccc(C(=O)[O-])nc3)C2)OC1=O ZINC001598571479 1017312591 /nfs/dbraw/zinc/31/25/91/1017312591.db2.gz CHCOFLNKEMQDBI-UHFFFAOYSA-N -1 0 305.290 -0.015 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@H](C)O1 ZINC001452796246 1011411197 /nfs/dbraw/zinc/41/11/97/1011411197.db2.gz BLKOTIFCJAZUMY-WPRPVWTQSA-N -1 0 320.305 -0.575 20 0 DBADRM CN1C[C@@H](OC(=O)c2ccc(-n3cnnn3)cc2)C[C@H]1C(=O)[O-] ZINC001598572053 1017313291 /nfs/dbraw/zinc/31/32/91/1017313291.db2.gz CRBBWXAMBRGQJM-RYUDHWBXSA-N -1 0 317.305 -0.024 20 0 DBADRM CN1CC[C@@](C)(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C1=O ZINC001598577453 1017314542 /nfs/dbraw/zinc/31/45/42/1017314542.db2.gz FLPKICXOEPPJTO-KGLIPLIRSA-N -1 0 309.322 -0.313 20 0 DBADRM CN1CC[C@H](C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)S1(=O)=O ZINC001598580081 1017316313 /nfs/dbraw/zinc/31/63/13/1017316313.db2.gz FBJXTYBMHAGLOO-BREBYQMCSA-N -1 0 316.379 -0.124 20 0 DBADRM CN1CCC(=O)Nc2cc(C(=O)N3CC(O)(C(=O)[O-])C3)ccc21 ZINC001598578176 1017317675 /nfs/dbraw/zinc/31/76/75/1017317675.db2.gz KKDSTWPZWFVFHI-UHFFFAOYSA-N -1 0 319.317 -0.264 20 0 DBADRM CN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001598584934 1017319231 /nfs/dbraw/zinc/31/92/31/1017319231.db2.gz JKXQQWJTFSBFAX-SNVBAGLBSA-N -1 0 313.335 -0.369 20 0 DBADRM CN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001598585219 1017321107 /nfs/dbraw/zinc/32/11/07/1017321107.db2.gz NGATYYLNHKWZJA-MRVPVSSYSA-N -1 0 313.335 -0.369 20 0 DBADRM CN1CC[C@@H](C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])CC1=O ZINC001598581488 1017321124 /nfs/dbraw/zinc/32/11/24/1017321124.db2.gz VJTFSNZGAOXFBI-NXEZZACHSA-N -1 0 314.338 -0.423 20 0 DBADRM CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1=O ZINC001598586485 1017321462 /nfs/dbraw/zinc/32/14/62/1017321462.db2.gz UCCPGOSRJYRWHR-SNVBAGLBSA-N -1 0 323.280 -0.191 20 0 DBADRM CCC(=O)N[C@H]1C[C@@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001452943528 1011471668 /nfs/dbraw/zinc/47/16/68/1011471668.db2.gz MXYXSDZKBIAZLX-DTORHVGOSA-N -1 0 323.353 -0.364 20 0 DBADRM CC(=O)N[C@H]1C[C@@H](CNC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001452954431 1011474171 /nfs/dbraw/zinc/47/41/71/1011474171.db2.gz RKKLOYUZUMQOBA-AOOOYVTPSA-N -1 0 311.342 -0.500 20 0 DBADRM CC[C@H](F)C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001453230919 1011568561 /nfs/dbraw/zinc/56/85/61/1011568561.db2.gz LVBYWIVEJGGNCU-SFYZADRCSA-N -1 0 315.305 -0.846 20 0 DBADRM CC[C@H](F)C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001453230924 1011569050 /nfs/dbraw/zinc/56/90/50/1011569050.db2.gz LVBYWIVEJGGNCU-YUMQZZPRSA-N -1 0 315.305 -0.846 20 0 DBADRM CCC1(C(=O)NC[C@H]2CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001453255231 1011581729 /nfs/dbraw/zinc/58/17/29/1011581729.db2.gz PPHURLQSQFAONG-MRVPVSSYSA-N -1 0 321.337 -0.196 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC1(CNC(=O)C2CC2)CC1 ZINC001453289783 1011595511 /nfs/dbraw/zinc/59/55/11/1011595511.db2.gz HZRVIUCBPFEJIJ-UHFFFAOYSA-N -1 0 323.353 -0.356 20 0 DBADRM CN(CC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)C(=O)C1CC1 ZINC001483015545 1011606021 /nfs/dbraw/zinc/60/60/21/1011606021.db2.gz MHFYRLGZZVXQOM-IHWYPQMZSA-N -1 0 322.369 -0.859 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)c2ncnn21 ZINC001453365475 1011638623 /nfs/dbraw/zinc/63/86/23/1011638623.db2.gz JIFAIZMAHXHAOX-SFYZADRCSA-N -1 0 307.314 -0.117 20 0 DBADRM CC(=O)N(C)CC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001453473836 1011688100 /nfs/dbraw/zinc/68/81/00/1011688100.db2.gz WETVJVZMGWFNFM-UHFFFAOYSA-N -1 0 323.353 -0.814 20 0 DBADRM CN1c2ccccc2CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1=O ZINC001453576056 1011739447 /nfs/dbraw/zinc/73/94/47/1011739447.db2.gz LIRTWPRKTNRDTQ-UHFFFAOYSA-N -1 0 315.289 -0.098 20 0 DBADRM CSCC[C@H](NC(=O)c1cc(=O)n(C)cn1)c1nnn[n-]1 ZINC001453784163 1011815595 /nfs/dbraw/zinc/81/55/95/1011815595.db2.gz SKWFEHDVOQOIQW-ZETCQYMHSA-N -1 0 309.355 -0.482 20 0 DBADRM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C(=O)N1CCC(C)CC1 ZINC001483272892 1011821848 /nfs/dbraw/zinc/82/18/48/1011821848.db2.gz NYUWSEHAIFTXIZ-JTQLQIEISA-N -1 0 324.385 -0.637 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001453855566 1011826403 /nfs/dbraw/zinc/82/64/03/1011826403.db2.gz VRFYMDVLSWRYSA-AWEZNQCLSA-N -1 0 323.353 -0.719 20 0 DBADRM Cc1cnc(C(=O)N[C@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)cn1 ZINC001483306431 1011834234 /nfs/dbraw/zinc/83/42/34/1011834234.db2.gz FSPIJJCSQOJVLS-SECBINFHSA-N -1 0 305.342 -0.141 20 0 DBADRM CCn1ncc(C(=O)N[C@@H](C)CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC001483333484 1011843642 /nfs/dbraw/zinc/84/36/42/1011843642.db2.gz MZRFJLHFHZVHJQ-QMMMGPOBSA-N -1 0 308.346 -0.628 20 0 DBADRM COC[C@H](OC)C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001483385943 1011863440 /nfs/dbraw/zinc/86/34/40/1011863440.db2.gz ZLPMHVSIPSODMQ-IUCAKERBSA-N -1 0 301.347 -0.892 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)C[C@@H]1C(N)=O ZINC001454164042 1011880006 /nfs/dbraw/zinc/88/00/06/1011880006.db2.gz MIXJHYNACNEXQC-YUMQZZPRSA-N -1 0 311.725 -0.296 20 0 DBADRM CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1nnn[n-]1 ZINC001454172830 1011881343 /nfs/dbraw/zinc/88/13/43/1011881343.db2.gz NBKGBZAPSWGQJW-UHFFFAOYSA-N -1 0 322.306 -0.993 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)N[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C1CC1 ZINC001454178961 1011883297 /nfs/dbraw/zinc/88/32/97/1011883297.db2.gz KGLUUAAGRAFPNN-QNSHHTMESA-N -1 0 323.353 -0.644 20 0 DBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NC[C@@H](O)c1cccnc1 ZINC001454379367 1011957035 /nfs/dbraw/zinc/95/70/35/1011957035.db2.gz IMPFELSJQYKJEI-SNVBAGLBSA-N -1 0 307.310 -0.286 20 0 DBADRM C[NH+]1CCC(O[N-]C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1 ZINC001598587935 1017322701 /nfs/dbraw/zinc/32/27/01/1017322701.db2.gz KAWAHSKVRJZQJE-NSHDSACASA-N -1 0 313.354 -0.548 20 0 DBADRM CCCCn1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c(C)n1 ZINC001595809365 1017101153 /nfs/dbraw/zinc/10/11/53/1017101153.db2.gz IBOMROVFQUBXHI-VIFPVBQESA-N -1 0 305.356 -0.285 20 0 DBADRM CCCN([C@H](C)C(=O)[O-])S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001595831014 1017101534 /nfs/dbraw/zinc/10/15/34/1017101534.db2.gz GXAUMVMXFQWYBD-GHMZBOCLSA-N -1 0 308.400 -0.168 20 0 DBADRM CCCN([C@@H]1CC(=O)N(C)C1=O)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001595839962 1017101550 /nfs/dbraw/zinc/10/15/50/1017101550.db2.gz MIJDERQZEMGZEK-DTWKUNHWSA-N -1 0 320.367 -0.494 20 0 DBADRM CCCN([C@@H](C)C(=O)[O-])S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001595831017 1017101920 /nfs/dbraw/zinc/10/19/20/1017101920.db2.gz GXAUMVMXFQWYBD-WDEREUQCSA-N -1 0 308.400 -0.168 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001595783951 1017102042 /nfs/dbraw/zinc/10/20/42/1017102042.db2.gz WNFKTOIYDTYNSV-SNVBAGLBSA-N -1 0 307.368 -0.097 20 0 DBADRM CCCN(CCNC(=O)Cn1cncn1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001595882974 1017103214 /nfs/dbraw/zinc/10/32/14/1017103214.db2.gz PMMPTHUFEMSRDU-WDEREUQCSA-N -1 0 323.353 -0.646 20 0 DBADRM CCCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1nnnn1C ZINC001595882938 1017103890 /nfs/dbraw/zinc/10/38/90/1017103890.db2.gz OWDGDBXIBFFMLX-ZJUUUORDSA-N -1 0 310.358 -0.741 20 0 DBADRM COC[C@@H](NC(=O)c1cnc2c(c1)c(C)nn2C)c1nnn[n-]1 ZINC001595888003 1017104313 /nfs/dbraw/zinc/10/43/13/1017104313.db2.gz DPSXQIMEQREDOF-SNVBAGLBSA-N -1 0 316.325 -0.093 20 0 DBADRM CCCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)Cn1nccn1 ZINC001595879135 1017104329 /nfs/dbraw/zinc/10/43/29/1017104329.db2.gz KNNTYNLVDIDWBH-WDEREUQCSA-N -1 0 323.353 -0.646 20 0 DBADRM CCCN(CCC)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001595872398 1017104400 /nfs/dbraw/zinc/10/44/00/1017104400.db2.gz AZJQXQLVQAUXQX-WDEREUQCSA-N -1 0 300.355 -0.071 20 0 DBADRM CCCN(CC(=O)[O-])C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC001595853207 1017104456 /nfs/dbraw/zinc/10/44/56/1017104456.db2.gz NZLWEWKFDJPGCA-UHFFFAOYSA-N -1 0 301.324 -0.183 20 0 DBADRM CCCN(CC(=O)NC)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001595842955 1017104495 /nfs/dbraw/zinc/10/44/95/1017104495.db2.gz DRIGMJKRIIPCQV-UHFFFAOYSA-N -1 0 304.328 -0.745 20 0 DBADRM CCCNC(=O)CCNC(=O)COCc1ocnc1C(=O)[O-] ZINC001595922552 1017107170 /nfs/dbraw/zinc/10/71/70/1017107170.db2.gz PBFFKOMALVQOKQ-UHFFFAOYSA-N -1 0 313.310 -0.078 20 0 DBADRM CCCC(=O)NC[C@@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001454538978 1012025428 /nfs/dbraw/zinc/02/54/28/1012025428.db2.gz GZIOYMBMCULLOB-MRVPVSSYSA-N -1 0 306.326 -0.548 20 0 DBADRM CCCN1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CC1 ZINC001595912621 1017107574 /nfs/dbraw/zinc/10/75/74/1017107574.db2.gz YBKUOYBVKVVHQY-UHFFFAOYSA-N -1 0 323.353 -0.389 20 0 DBADRM O=C(CCn1ccccc1=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454556481 1012035936 /nfs/dbraw/zinc/03/59/36/1012035936.db2.gz WEKNOQZEFOXLSU-JTQLQIEISA-N -1 0 304.310 -0.648 20 0 DBADRM CCCNC(=O)NC(=O)CN1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC001595925987 1017108606 /nfs/dbraw/zinc/10/86/06/1017108606.db2.gz DKRSSPZUKPUPAG-TVQRCGJNSA-N -1 0 301.343 -0.214 20 0 DBADRM C[C@H](C(=O)N1CCOC[C@@H]1c1nnn[n-]1)[C@H](C)S(C)(=O)=O ZINC001454556591 1012037229 /nfs/dbraw/zinc/03/72/29/1012037229.db2.gz XOHVWDBXXZKTIH-XHNCKOQMSA-N -1 0 317.371 -0.831 20 0 DBADRM O=C(c1cnc2cccnn21)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454556697 1012038322 /nfs/dbraw/zinc/03/83/22/1012038322.db2.gz ZMVFDFMSRWEDCC-VIFPVBQESA-N -1 0 300.282 -0.544 20 0 DBADRM NC(=O)C(=O)NC[C@H]1CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC001483675530 1012042000 /nfs/dbraw/zinc/04/20/00/1012042000.db2.gz BPODFDBIIPVOSB-SSDOTTSWSA-N -1 0 321.362 -0.427 20 0 DBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@@H]3COC[C@@H]3O)cc2=O)n1 ZINC001454568582 1012045354 /nfs/dbraw/zinc/04/53/54/1012045354.db2.gz DWXNVCXGBYSLDV-MNOVXSKESA-N -1 0 319.321 -0.938 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN1Cc1ccccn1 ZINC001483697134 1012063232 /nfs/dbraw/zinc/06/32/32/1012063232.db2.gz ORTPGHGNFPHBAD-NSHDSACASA-N -1 0 318.337 -0.525 20 0 DBADRM O=C(CCN1CCCC1=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001483702267 1012065917 /nfs/dbraw/zinc/06/59/17/1012065917.db2.gz NIYKXVNXLVWIED-SNVBAGLBSA-N -1 0 322.369 -0.787 20 0 DBADRM CN1C(=O)CCC[C@@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001483787799 1012141302 /nfs/dbraw/zinc/14/13/02/1012141302.db2.gz CODHGJHWXVCKRY-SECBINFHSA-N -1 0 322.369 -0.740 20 0 DBADRM O=C(CC1CC1)NC[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001454895034 1012156044 /nfs/dbraw/zinc/15/60/44/1012156044.db2.gz KZVWJHRDZGIISO-JTQLQIEISA-N -1 0 323.353 -0.546 20 0 DBADRM O=C(CC1CC1)NC[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001454895036 1012156185 /nfs/dbraw/zinc/15/61/85/1012156185.db2.gz KZVWJHRDZGIISO-SNVBAGLBSA-N -1 0 323.353 -0.546 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC(c3nnn[n-]3)CC2)cn1 ZINC001455022181 1012192844 /nfs/dbraw/zinc/19/28/44/1012192844.db2.gz ONZWOPMFTXPWQR-UHFFFAOYSA-N -1 0 301.310 -0.287 20 0 DBADRM COCCN1C[C@@H](C(=O)N2CC[C@H](c3nnn[n-]3)C2)CC1=O ZINC001455129253 1012226740 /nfs/dbraw/zinc/22/67/40/1012226740.db2.gz FMPYUOVNTOWUMS-UWVGGRQHSA-N -1 0 308.342 -0.990 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001455150762 1012242493 /nfs/dbraw/zinc/24/24/93/1012242493.db2.gz ZEELDPJLGUKNFI-QMMMGPOBSA-N -1 0 311.342 -0.863 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)c1cccn2nnnc12 ZINC001455322804 1012339704 /nfs/dbraw/zinc/33/97/04/1012339704.db2.gz OFBHVXJJWCARRB-UHFFFAOYSA-N -1 0 301.314 -0.064 20 0 DBADRM Cc1cc[nH]c1C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001484215326 1012394835 /nfs/dbraw/zinc/39/48/35/1012394835.db2.gz FIKMQMKFOUZGBE-CQSZACIVSA-N -1 0 320.353 -0.486 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)Cc2ncc[nH]2)c1[O-] ZINC001455436645 1012400817 /nfs/dbraw/zinc/40/08/17/1012400817.db2.gz ZYWJPFFDMYRCIQ-UHFFFAOYSA-N -1 0 306.326 -0.422 20 0 DBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCC(CO)(CO)CC1 ZINC001455527838 1012435177 /nfs/dbraw/zinc/43/51/77/1012435177.db2.gz DDNLWECGMCBAPZ-UHFFFAOYSA-N -1 0 306.322 -0.770 20 0 DBADRM CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@H]1C[C@@H]1C ZINC001455635937 1012465955 /nfs/dbraw/zinc/46/59/55/1012465955.db2.gz HJRIBYPVWKWZHB-IUCAKERBSA-N -1 0 311.342 -0.690 20 0 DBADRM CCO[C@H](C(=O)N[C@@H](COC)c1nnn[n-]1)C1CCOCC1 ZINC001455730551 1012495703 /nfs/dbraw/zinc/49/57/03/1012495703.db2.gz SCQIPNHMSRBQAS-QWRGUYRKSA-N -1 0 313.358 -0.165 20 0 DBADRM COC[C@@H](NC(=O)COCC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001455730518 1012497301 /nfs/dbraw/zinc/49/73/01/1012497301.db2.gz RPWUDNWOKHCEOA-MRVPVSSYSA-N -1 0 315.330 -0.638 20 0 DBADRM O=C(CC1CS(=O)(=O)C1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001455745287 1012500292 /nfs/dbraw/zinc/50/02/92/1012500292.db2.gz REAJRCYDZAZMQU-VIFPVBQESA-N -1 0 313.383 -0.585 20 0 DBADRM C[C@@H]1C[C@H]1C(=O)NCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001455921723 1012545898 /nfs/dbraw/zinc/54/58/98/1012545898.db2.gz FKKDINOATZNHOA-VXNVDRBHSA-N -1 0 321.337 -0.340 20 0 DBADRM CCCCN1CC(O)(CNC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001484298573 1012546563 /nfs/dbraw/zinc/54/65/63/1012546563.db2.gz CBVRJUJIODPVBH-UHFFFAOYSA-N -1 0 319.365 -0.401 20 0 DBADRM C[C@H]1CS(=O)(=O)CCCN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001456100945 1012565000 /nfs/dbraw/zinc/56/50/00/1012565000.db2.gz HRMDPNLNUXXWQR-ZETCQYMHSA-N -1 0 320.396 -0.362 20 0 DBADRM C[C@H]1C[C@H]1C(=O)N1CC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001456313597 1012647499 /nfs/dbraw/zinc/64/74/99/1012647499.db2.gz YUGYAAAAYUJBFP-WCBMZHEXSA-N -1 0 323.353 -0.548 20 0 DBADRM CCC[C@H](C)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001456350538 1012667227 /nfs/dbraw/zinc/66/72/27/1012667227.db2.gz FAFNLBZYHNZRHD-ZETCQYMHSA-N -1 0 309.326 -0.340 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001484467236 1012680273 /nfs/dbraw/zinc/68/02/73/1012680273.db2.gz DNEIWSBNKFHNTR-WDEREUQCSA-N -1 0 322.369 -0.931 20 0 DBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CC(NC2COC2)C1 ZINC001456515875 1012744923 /nfs/dbraw/zinc/74/49/23/1012744923.db2.gz HVAPTACTCVOEJB-UHFFFAOYSA-N -1 0 316.317 -0.157 20 0 DBADRM C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)c1nn(C)cc1[O-] ZINC001456791692 1012816669 /nfs/dbraw/zinc/81/66/69/1012816669.db2.gz VNABXJUBOPXNDA-MRVPVSSYSA-N -1 0 319.387 -0.959 20 0 DBADRM COC(=O)c1cnn(CC(=O)N[C@H](C)c2nn(C)cc2[O-])c1 ZINC001456791482 1012817008 /nfs/dbraw/zinc/81/70/08/1012817008.db2.gz UIFGIZRVLKXNEM-MRVPVSSYSA-N -1 0 307.310 -0.014 20 0 DBADRM CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001456880077 1012827490 /nfs/dbraw/zinc/82/74/90/1012827490.db2.gz KFYRZZQZTCIEMK-BDAKNGLRSA-N -1 0 323.353 -0.673 20 0 DBADRM CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)c2c[n-]ncc2=O)C1 ZINC001456975402 1012841048 /nfs/dbraw/zinc/84/10/48/1012841048.db2.gz ONYSOWPSKFMINB-WPRPVWTQSA-N -1 0 310.310 -0.639 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1CCCNC1=O)Cc1n[nH]c(=O)[n-]1 ZINC001484746198 1012846900 /nfs/dbraw/zinc/84/69/00/1012846900.db2.gz IQMFMIQMNIHGFC-SNVBAGLBSA-N -1 0 324.385 -0.683 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)c2cn(C)cn2)c1[O-] ZINC001457315429 1012871102 /nfs/dbraw/zinc/87/11/02/1012871102.db2.gz WVAXOPNKFDSLDT-QMMMGPOBSA-N -1 0 320.353 -0.047 20 0 DBADRM CC[C@H](F)C(=O)NC1(CO)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001485022371 1012950414 /nfs/dbraw/zinc/95/04/14/1012950414.db2.gz XGYQOVYOVFRZRU-VIFPVBQESA-N -1 0 315.349 -0.299 20 0 DBADRM CCCS(=O)(=O)CC(=O)N[C@H](CCC(=O)OC)C(=O)[O-] ZINC001595980036 1017114155 /nfs/dbraw/zinc/11/41/55/1017114155.db2.gz FRIDKPWONBQVGW-MRVPVSSYSA-N -1 0 309.340 -0.666 20 0 DBADRM CCC[C@@H](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001596002243 1017112494 /nfs/dbraw/zinc/11/24/94/1017112494.db2.gz XYQNZAMBRSCYFQ-NXEZZACHSA-N -1 0 304.368 -0.078 20 0 DBADRM CCCn1c(C)nnc1C[S@](=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC001596108511 1017112895 /nfs/dbraw/zinc/11/28/95/1017112895.db2.gz ACCWKMNHBNAJOY-CHNSCGDPSA-N -1 0 316.383 -0.165 20 0 DBADRM CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001596008863 1017112906 /nfs/dbraw/zinc/11/29/06/1017112906.db2.gz WEYLXMPWTXUFFZ-OUAUKWLOSA-N -1 0 322.365 -0.078 20 0 DBADRM CCC[C@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001596014081 1017113161 /nfs/dbraw/zinc/11/31/61/1017113161.db2.gz ABAAOLCEUQGFKX-ZJUUUORDSA-N -1 0 306.384 -0.525 20 0 DBADRM CCCC1N=NC(=S)N1CC(=O)N[C@H](COC)C(=O)[O-] ZINC001596074880 1017114146 /nfs/dbraw/zinc/11/41/46/1017114146.db2.gz SDUUXTZOROVMOQ-SSDOTTSWSA-N -1 0 302.356 -0.265 20 0 DBADRM CCCn1cc(CNS(=O)(=O)CC2(C(=O)[O-])CC2)nn1 ZINC001596116979 1017114812 /nfs/dbraw/zinc/11/48/12/1017114812.db2.gz XIMGYHHJZQODLE-UHFFFAOYSA-N -1 0 302.356 -0.028 20 0 DBADRM CCN(C)C(=O)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001596182911 1017117572 /nfs/dbraw/zinc/11/75/72/1017117572.db2.gz BLXQBFIPVBAIHH-UHFFFAOYSA-N -1 0 307.306 -0.082 20 0 DBADRM CCNC(=O)NCCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001596470885 1017151826 /nfs/dbraw/zinc/15/18/26/1017151826.db2.gz MYWFTDVVDDMHOW-VHSXEESVSA-N -1 0 301.343 -0.166 20 0 DBADRM CCN(CC(C)C)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001596231537 1017120332 /nfs/dbraw/zinc/12/03/32/1017120332.db2.gz PCTDRHJBVHERQW-WDEREUQCSA-N -1 0 300.355 -0.215 20 0 DBADRM CCN(CC(=O)N1CC(O)(C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001596201964 1017121111 /nfs/dbraw/zinc/12/11/11/1017121111.db2.gz NOZMFSHSESGRRP-UHFFFAOYSA-N -1 0 302.327 -0.099 20 0 DBADRM CCN(CC(=O)NC(C)C)C(=O)COC(=O)C1(C(=O)[O-])CC1 ZINC001596203003 1017121200 /nfs/dbraw/zinc/12/12/00/1017121200.db2.gz FVKOJGFKDHCSPK-UHFFFAOYSA-N -1 0 314.338 -0.233 20 0 DBADRM CCN(CC(=O)NC)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001596202863 1017121277 /nfs/dbraw/zinc/12/12/77/1017121277.db2.gz BJWFBZPSCKRRDS-UHFFFAOYSA-N -1 0 301.324 -0.464 20 0 DBADRM CCN(CC(N)=O)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001596237038 1017123646 /nfs/dbraw/zinc/12/36/46/1017123646.db2.gz HLMFXLZKOKCYDB-ZDUSSCGKSA-N -1 0 319.361 -0.168 20 0 DBADRM CCN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)Cn1cncn1 ZINC001596327010 1017124990 /nfs/dbraw/zinc/12/49/90/1017124990.db2.gz PSDKIPHJOHTTIA-GHMZBOCLSA-N -1 0 323.353 -0.646 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1cnnn1C ZINC001596331729 1017129031 /nfs/dbraw/zinc/12/90/31/1017129031.db2.gz DCDNHULMQGKQDM-IUCAKERBSA-N -1 0 309.326 -0.886 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cc(C)nc(CO)n1 ZINC001596333364 1017129159 /nfs/dbraw/zinc/12/91/59/1017129159.db2.gz QRRLZHBXYJGALY-QWRGUYRKSA-N -1 0 322.365 -0.059 20 0 DBADRM CCN(CCNC(=O)[C@@H]1COC(=O)N1)c1ccnc(C(=O)[O-])n1 ZINC001596331472 1017129642 /nfs/dbraw/zinc/12/96/42/1017129642.db2.gz AUSRLTIARBARQJ-QMMMGPOBSA-N -1 0 323.309 -0.774 20 0 DBADRM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)c1cnn(C)n1 ZINC001596340503 1017131323 /nfs/dbraw/zinc/13/13/23/1017131323.db2.gz AYJUZIALTYVVKE-UHFFFAOYSA-N -1 0 319.325 -0.123 20 0 DBADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)c1ccc(=O)[nH]n1 ZINC001596333967 1017132157 /nfs/dbraw/zinc/13/21/57/1017132157.db2.gz XXPYOTHYTCJXTG-IUCAKERBSA-N -1 0 322.321 -0.519 20 0 DBADRM CCN(CCNC(=O)Cc1cc[nH]n1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596334659 1017132185 /nfs/dbraw/zinc/13/21/85/1017132185.db2.gz QKXGOJJDNCSOPR-WDEREUQCSA-N -1 0 308.338 -0.362 20 0 DBADRM CCN(CCO)C(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001596340578 1017132355 /nfs/dbraw/zinc/13/23/55/1017132355.db2.gz CTFLXEHIZVEBQY-NSHDSACASA-N -1 0 300.355 -0.069 20 0 DBADRM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)CN(C)C(C)=O ZINC001596340852 1017132362 /nfs/dbraw/zinc/13/23/62/1017132362.db2.gz KECDPFVWISQFPK-UHFFFAOYSA-N -1 0 323.353 -0.087 20 0 DBADRM CCN(CCc1cn(CC(=O)[O-])nn1)[C@@H]1CCS(=O)(=O)C1 ZINC001596352385 1017134094 /nfs/dbraw/zinc/13/40/94/1017134094.db2.gz RUXJUABZFPUUBJ-LLVKDONJSA-N -1 0 316.383 -0.586 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)c3cc(C(=O)[O-])no3)CCN2C1=O ZINC001596390315 1017134495 /nfs/dbraw/zinc/13/44/95/1017134495.db2.gz SFRXSUOMZQMXDP-QMMMGPOBSA-N -1 0 322.277 -0.519 20 0 DBADRM CCN(OC)C(=O)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001596380330 1017134625 /nfs/dbraw/zinc/13/46/25/1017134625.db2.gz CNQXXBKANQUODL-UHFFFAOYSA-N -1 0 323.305 -0.151 20 0 DBADRM CCN1C(=O)[C@H]2CN(c3ccnc(C(=O)[O-])n3)CCN2C1=O ZINC001596389251 1017134694 /nfs/dbraw/zinc/13/46/94/1017134694.db2.gz CQSNZLAFMNHUFW-MRVPVSSYSA-N -1 0 305.294 -0.353 20 0 DBADRM CCN(OC)C(=O)CNC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001596380663 1017134834 /nfs/dbraw/zinc/13/48/34/1017134834.db2.gz UBVUWLKJRLEYGH-UHFFFAOYSA-N -1 0 312.326 -0.112 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)C34CC(C(=O)[O-])(C3)C4)CCN2C1=O ZINC001596389496 1017134960 /nfs/dbraw/zinc/13/49/60/1017134960.db2.gz IEIQVUJFGTZKJE-WFJJYUMRSA-N -1 0 321.333 -0.264 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001596383995 1017135089 /nfs/dbraw/zinc/13/50/89/1017135089.db2.gz MMBGZOVXUFBXMN-UHFFFAOYSA-N -1 0 323.352 -0.471 20 0 DBADRM CCN1C(=O)[C@H]2CN(C(=O)NC3CC(C(=O)[O-])C3)CCN2C1=O ZINC001596389482 1017135150 /nfs/dbraw/zinc/13/51/50/1017135150.db2.gz IAQQJFMSXPWFSW-UDNWOFFPSA-N -1 0 324.337 -0.473 20 0 DBADRM CCN1C[C@H](CN2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)CC1=O ZINC001596396091 1017136022 /nfs/dbraw/zinc/13/60/22/1017136022.db2.gz NQKXSWZKCCKGPG-CDLYGTGVSA-N -1 0 309.322 -0.504 20 0 DBADRM CCN1C[C@@H](S(=O)(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1=O ZINC001596401385 1017137043 /nfs/dbraw/zinc/13/70/43/1017137043.db2.gz CFKMJUZTULINKF-ZJUUUORDSA-N -1 0 302.352 -0.300 20 0 DBADRM CCN1C[C@H](NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CC1=O ZINC001596397501 1017137133 /nfs/dbraw/zinc/13/71/33/1017137133.db2.gz JHINIHZNHZWDJZ-PWSUYJOCSA-N -1 0 313.354 -0.526 20 0 DBADRM CCN1C[C@H](S(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)CC1=O ZINC001596402908 1017139093 /nfs/dbraw/zinc/13/90/93/1017139093.db2.gz RLYFQSCPBJFJMP-BXKDBHETSA-N -1 0 320.367 -0.982 20 0 DBADRM CCN1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1=O ZINC001596410892 1017139111 /nfs/dbraw/zinc/13/91/11/1017139111.db2.gz VVASLTJNWBVUEA-VIFPVBQESA-N -1 0 315.351 -0.378 20 0 DBADRM CCN1CC[C@H](N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)C1=O ZINC001596409544 1017139248 /nfs/dbraw/zinc/13/92/48/1017139248.db2.gz OWVMTYODAWLJOL-WFASDCNBSA-N -1 0 311.382 -0.532 20 0 DBADRM CCN1C[C@H](S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)CC1=O ZINC001596403213 1017140846 /nfs/dbraw/zinc/14/08/46/1017140846.db2.gz WXHOCJDFXLSABQ-LDYMZIIASA-N -1 0 322.408 -0.513 20 0 DBADRM CCN1CCC[C@@H](N2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)C1=O ZINC001596418922 1017142920 /nfs/dbraw/zinc/14/29/20/1017142920.db2.gz YOSOTYZKOQGJRN-ZYUZMQFOSA-N -1 0 309.322 -0.362 20 0 DBADRM CCN1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1=O ZINC001596436400 1017146114 /nfs/dbraw/zinc/14/61/14/1017146114.db2.gz PEXVIORNOMXYRL-UHFFFAOYSA-N -1 0 319.383 -0.808 20 0 DBADRM CCNC(=O)CCC(=O)N(C)CCNc1ccnc(C(=O)[O-])n1 ZINC001596457394 1017148817 /nfs/dbraw/zinc/14/88/17/1017148817.db2.gz YMWCKDLFKVSXMN-UHFFFAOYSA-N -1 0 323.353 -0.617 20 0 DBADRM CCNC(=O)CCCC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001596457221 1017148889 /nfs/dbraw/zinc/14/88/89/1017148889.db2.gz RQSYEZZNYYWHCO-ZDUSSCGKSA-N -1 0 300.355 -0.023 20 0 DBADRM CCN1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1=O ZINC001596449419 1017149037 /nfs/dbraw/zinc/14/90/37/1017149037.db2.gz GDTXWNXCZCCCEC-UHFFFAOYSA-N -1 0 305.356 -0.851 20 0 DBADRM CCNC(=O)CC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001596456166 1017149804 /nfs/dbraw/zinc/14/98/04/1017149804.db2.gz HVSOULUQRWFDDU-VIFPVBQESA-N -1 0 321.337 -0.864 20 0 DBADRM CN1C(=O)CN([N-]C(=O)c2cn(-c3cccnc3)nn2)C1=O ZINC001596445847 1017149883 /nfs/dbraw/zinc/14/98/83/1017149883.db2.gz ZPPQEOBJPJJICQ-UHFFFAOYSA-N -1 0 301.266 -0.799 20 0 DBADRM CCNC(=O)CCC(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1 ZINC001596456953 1017150101 /nfs/dbraw/zinc/15/01/01/1017150101.db2.gz HYBJWHUFPOXAEQ-VIFPVBQESA-N -1 0 323.353 -0.570 20 0 DBADRM CCNC(=O)CN1CCN(C[C@H]2[C@H](C(=O)[O-])C2(F)F)CC1 ZINC001596462404 1017151239 /nfs/dbraw/zinc/15/12/39/1017151239.db2.gz ZPJZQLWDERQTFH-GXSJLCMTSA-N -1 0 305.325 -0.294 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC001596462276 1017151922 /nfs/dbraw/zinc/15/19/22/1017151922.db2.gz VSQXESMSELNMBU-UHFFFAOYSA-N -1 0 320.349 -0.326 20 0 DBADRM CCNC(=O)CN1CCN(C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)CC1 ZINC001596462407 1017151995 /nfs/dbraw/zinc/15/19/95/1017151995.db2.gz ZPJZQLWDERQTFH-KOLCDFICSA-N -1 0 305.325 -0.294 20 0 DBADRM CCNC(=O)[C@H]1Cc2ccccc2CN1CC(=O)NCC(=O)[O-] ZINC001596478082 1017153032 /nfs/dbraw/zinc/15/30/32/1017153032.db2.gz PACTWDWNNBOTSV-CYBMUJFWSA-N -1 0 319.361 -0.250 20 0 DBADRM CCOC(=O)[C@@H](CC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C(C)=O ZINC001596526348 1017154035 /nfs/dbraw/zinc/15/40/35/1017154035.db2.gz MHVYGANJZQKNBW-KXUCPTDWSA-N -1 0 301.295 -0.809 20 0 DBADRM CCOC(=O)[C@H](C(=O)NCCn1cc(C(=O)[O-])nn1)C(C)C ZINC001596510149 1017154377 /nfs/dbraw/zinc/15/43/77/1017154377.db2.gz HGPLLLZHHOASRJ-JTQLQIEISA-N -1 0 312.326 -0.072 20 0 DBADRM CCOC(=O)[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001596533856 1017157543 /nfs/dbraw/zinc/15/75/43/1017157543.db2.gz BCFWRUZGGOMCKL-QCNOEVLYSA-N -1 0 322.317 -0.116 20 0 DBADRM CCOC(=O)C1(C(=O)N[C@H](CCOC)C(=O)[O-])CCOCC1 ZINC001596542431 1017157747 /nfs/dbraw/zinc/15/77/47/1017157747.db2.gz BOODRGZQMNMJET-SNVBAGLBSA-N -1 0 317.338 -0.048 20 0 DBADRM CCOC(=O)[C@@H](N)C(=O)NC[C@H](Cc1ccncc1)C(=O)[O-] ZINC001596536272 1017158658 /nfs/dbraw/zinc/15/86/58/1017158658.db2.gz WGCWLYGFNCHRGW-QWRGUYRKSA-N -1 0 309.322 -0.669 20 0 DBADRM CCOC(=O)C1CCN(C(=O)CN[C@@](C)(CO)C(=O)[O-])CC1 ZINC001596576407 1017160446 /nfs/dbraw/zinc/16/04/46/1017160446.db2.gz KYSQPRITLJHQFZ-AWEZNQCLSA-N -1 0 316.354 -0.787 20 0 DBADRM CCOC(=O)[C@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)CCO1 ZINC001596585982 1017160474 /nfs/dbraw/zinc/16/04/74/1017160474.db2.gz WBMUZLMTPZLDIZ-SNVBAGLBSA-N -1 0 311.294 -0.478 20 0 DBADRM CCOC(=O)CC[C@H](C)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001596602011 1017162183 /nfs/dbraw/zinc/16/21/83/1017162183.db2.gz PYGHKTQRSNBERV-VIFPVBQESA-N -1 0 310.372 -0.041 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001596613848 1017163566 /nfs/dbraw/zinc/16/35/66/1017163566.db2.gz NEWSYUOYFMQHMB-BDAKNGLRSA-N -1 0 309.340 -0.557 20 0 DBADRM CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)NCCCC(=O)[O-])C1 ZINC001596642844 1017164727 /nfs/dbraw/zinc/16/47/27/1017164727.db2.gz JYCGVALQFPYIIG-VHSXEESVSA-N -1 0 317.342 -0.400 20 0 DBADRM CCOC(=O)N1CCC(C(=O)N2CC[C@](O)(C(=O)[O-])C2)CC1 ZINC001596643735 1017165231 /nfs/dbraw/zinc/16/52/31/1017165231.db2.gz ZICDCZQBDCGINM-CQSZACIVSA-N -1 0 314.338 -0.097 20 0 DBADRM CCOC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001596654854 1017165245 /nfs/dbraw/zinc/16/52/45/1017165245.db2.gz IELVSDVYLWUHCE-HLTSFMKQSA-N -1 0 318.351 -0.124 20 0 DBADRM CCOC(=O)N1CC[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC001596646021 1017165801 /nfs/dbraw/zinc/16/58/01/1017165801.db2.gz GFFHDKQBYIUTOY-RKDXNWHRSA-N -1 0 308.356 -0.143 20 0 DBADRM CCOC(=O)N1CC[C@@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC001596646019 1017165822 /nfs/dbraw/zinc/16/58/22/1017165822.db2.gz GFFHDKQBYIUTOY-DTWKUNHWSA-N -1 0 308.356 -0.143 20 0 DBADRM CCOC(=O)CNC(=O)[C@H]1COCCN1C/C=C(\C)C(=O)[O-] ZINC001596624482 1017165939 /nfs/dbraw/zinc/16/59/39/1017165939.db2.gz KYXDGFYOPILQMS-LLMHMKPQSA-N -1 0 314.338 -0.603 20 0 DBADRM CCOC(=O)[C@H](COC)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001596687376 1017168186 /nfs/dbraw/zinc/16/81/86/1017168186.db2.gz DRTCULNZZRNCMB-VIFPVBQESA-N -1 0 320.323 -0.431 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N(CC(=O)[O-])CC(=O)OC ZINC001596677847 1017168472 /nfs/dbraw/zinc/16/84/72/1017168472.db2.gz XVZKOWYWWFUYTA-DTWKUNHWSA-N -1 0 301.295 -0.338 20 0 DBADRM CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](Cn2cncn2)C(=O)[O-])C1 ZINC001596677641 1017168731 /nfs/dbraw/zinc/16/87/31/1017168731.db2.gz JZLHFRHSOBDYQR-HBNTYKKESA-N -1 0 324.337 -0.173 20 0 DBADRM CCO[C@@H](C)C(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001596772604 1017170215 /nfs/dbraw/zinc/17/02/15/1017170215.db2.gz OBDQTVHORDJIMZ-VIFPVBQESA-N -1 0 307.368 -0.050 20 0 DBADRM CCOC1(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CCOCC1 ZINC001596789415 1017170236 /nfs/dbraw/zinc/17/02/36/1017170236.db2.gz CWOKLYJCKKGEGB-QWRGUYRKSA-N -1 0 301.339 -0.134 20 0 DBADRM CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O ZINC001596773241 1017171205 /nfs/dbraw/zinc/17/12/05/1017171205.db2.gz ZRNNQMMDMMXOBS-GDPRMGEGSA-N -1 0 324.337 -0.735 20 0 DBADRM CCO[C@@H]1C[C@@](NS(=O)(=O)C2COC2)(C(=O)[O-])C1(C)C ZINC001596836537 1017173436 /nfs/dbraw/zinc/17/34/36/1017173436.db2.gz DMOGPTCFTXBQMR-BXKDBHETSA-N -1 0 307.368 -0.037 20 0 DBADRM CCOCC(=O)COC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001596862532 1017173471 /nfs/dbraw/zinc/17/34/71/1017173471.db2.gz XDQLQQGSQTZOSU-JTQLQIEISA-N -1 0 301.295 -0.542 20 0 DBADRM CCOCC(=O)N1C[C@H](C)[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001596860424 1017173237 /nfs/dbraw/zinc/17/32/37/1017173237.db2.gz DHEDVLDPTIFUEU-VHSXEESVSA-N -1 0 308.338 -0.108 20 0 DBADRM CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001596864483 1017173784 /nfs/dbraw/zinc/17/37/84/1017173784.db2.gz WHEVKKCGWPVLEW-NAKRPEOUSA-N -1 0 314.338 -0.724 20 0 DBADRM CCO[C@@H]1COCC[C@H]1CC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001596854537 1017174198 /nfs/dbraw/zinc/17/41/98/1017174198.db2.gz DRKDGGOAUXKOHS-WHOHXGKFSA-N -1 0 301.339 -0.136 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001596872805 1017175757 /nfs/dbraw/zinc/17/57/57/1017175757.db2.gz PYGKWELMMPYXRS-NXEZZACHSA-N -1 0 305.352 -0.117 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001596876055 1017176579 /nfs/dbraw/zinc/17/65/79/1017176579.db2.gz SCBYQJROVKBFLY-SNVBAGLBSA-N -1 0 320.309 -0.177 20 0 DBADRM CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001596886795 1017176762 /nfs/dbraw/zinc/17/67/62/1017176762.db2.gz RDXXNAAHOPKIHY-KXUCPTDWSA-N -1 0 323.367 -0.311 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001596888954 1017177493 /nfs/dbraw/zinc/17/74/93/1017177493.db2.gz DFAQTEAAHZLMPM-AXFHLTTASA-N -1 0 309.384 -0.244 20 0 DBADRM CCOC[C@H]1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001596892874 1017177642 /nfs/dbraw/zinc/17/76/42/1017177642.db2.gz QCGXKKGESRADSQ-VIFPVBQESA-N -1 0 324.337 -0.058 20 0 DBADRM CCOC[C@H](C)CS(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001596889133 1017177781 /nfs/dbraw/zinc/17/77/81/1017177781.db2.gz IYDXYXQUQJUNHT-DCAQKATOSA-N -1 0 309.384 -0.101 20 0 DBADRM CCOCCN1CC(OC(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001596929031 1017178285 /nfs/dbraw/zinc/17/82/85/1017178285.db2.gz ITZGOGPWZNQHNM-UHFFFAOYSA-N -1 0 324.333 -0.190 20 0 DBADRM CCOCCN(C)C(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001596923351 1017178835 /nfs/dbraw/zinc/17/88/35/1017178835.db2.gz QMCYLFAZUNLLAU-CYBMUJFWSA-N -1 0 302.327 -0.817 20 0 DBADRM CCOC[C@@H](C)CS(=O)(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001596889383 1017178887 /nfs/dbraw/zinc/17/88/87/1017178887.db2.gz NLZJFQWEXIOTLJ-GRZMOONWSA-N -1 0 309.384 -0.196 20 0 DBADRM CCOCCCCNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001596907371 1017179309 /nfs/dbraw/zinc/17/93/09/1017179309.db2.gz FAQBTEJYEPYESB-LLVKDONJSA-N -1 0 316.354 -0.379 20 0 DBADRM CCOCCOCCNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001596938485 1017181071 /nfs/dbraw/zinc/18/10/71/1017181071.db2.gz WVHGTHWCMDRLDJ-NSHDSACASA-N -1 0 316.354 -0.521 20 0 DBADRM CCON(C)C(=O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001596963545 1017183709 /nfs/dbraw/zinc/18/37/09/1017183709.db2.gz OAOMCYVLFRZIQO-UHFFFAOYSA-N -1 0 324.293 -0.756 20 0 DBADRM CCO[C@@H]1COC[C@H]1NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001596981420 1017184232 /nfs/dbraw/zinc/18/42/32/1017184232.db2.gz ZZJPXIBOWDTSDA-GMTAPVOTSA-N -1 0 302.327 -0.325 20 0 DBADRM CCON(CC)C(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001596963515 1017184452 /nfs/dbraw/zinc/18/44/52/1017184452.db2.gz MSFGRPXESFSFON-ZDUSSCGKSA-N -1 0 313.310 -0.382 20 0 DBADRM CCOc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])on1 ZINC001596997581 1017184467 /nfs/dbraw/zinc/18/44/67/1017184467.db2.gz BSAGSWLJABSVGH-QMMMGPOBSA-N -1 0 311.294 -0.121 20 0 DBADRM CCOc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)on1 ZINC001597005393 1017184599 /nfs/dbraw/zinc/18/45/99/1017184599.db2.gz RVQKPQCINNIMSM-BDAKNGLRSA-N -1 0 323.305 -0.265 20 0 DBADRM CCOc1ccccc1C(=O)NCC(=O)NC[C@@H](O)CC(=O)[O-] ZINC001597167796 1017186297 /nfs/dbraw/zinc/18/62/97/1017186297.db2.gz FJDKZGRUZSNFCC-JTQLQIEISA-N -1 0 324.333 -0.233 20 0 DBADRM CCOc1ccccc1C(=O)NCC(=O)N[C@](C)(CO)C(=O)[O-] ZINC001597168583 1017186651 /nfs/dbraw/zinc/18/66/51/1017186651.db2.gz VHEKFFNBYRVOEP-OAHLLOKOSA-N -1 0 324.333 -0.233 20 0 DBADRM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001597210080 1017188551 /nfs/dbraw/zinc/18/85/51/1017188551.db2.gz MXWYBPAXTOZYKX-QMMMGPOBSA-N -1 0 313.397 -0.406 20 0 DBADRM CC[C@H]1C(=O)NCCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001597355345 1017195026 /nfs/dbraw/zinc/19/50/26/1017195026.db2.gz BSKQKRDUMVKBIX-QMMMGPOBSA-N -1 0 316.339 -0.603 20 0 DBADRM CCc1[nH]c(C(=O)N2CC[C@@](O)(C(N)=O)C2)c(C)c1C(=O)[O-] ZINC001597361071 1017195402 /nfs/dbraw/zinc/19/54/02/1017195402.db2.gz LRTVZIKPOQYMGX-AWEZNQCLSA-N -1 0 309.322 -0.354 20 0 DBADRM CC[C@@H]1C(=O)NCCCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC001597293444 1017196158 /nfs/dbraw/zinc/19/61/58/1017196158.db2.gz JHXVPGIZNGYTQM-SECBINFHSA-N -1 0 307.372 -0.762 20 0 DBADRM CC[C@@H]1C[C@H]1NC(=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001597301582 1017196508 /nfs/dbraw/zinc/19/65/08/1017196508.db2.gz ZFPRGRLSZGUEPB-KXUCPTDWSA-N -1 0 321.337 -0.336 20 0 DBADRM CC[S@](=O)CCNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001597251015 1017196623 /nfs/dbraw/zinc/19/66/23/1017196623.db2.gz ZEYLBCAIKXVVBT-NRFANRHFSA-N -1 0 315.351 -0.155 20 0 DBADRM CCc1cc(C(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n(C)n1 ZINC001597431625 1017198256 /nfs/dbraw/zinc/19/82/56/1017198256.db2.gz OOFKXCNBVCMVSL-VHSXEESVSA-N -1 0 308.338 -0.451 20 0 DBADRM CCc1cc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c(C)nn1 ZINC001597426499 1017198357 /nfs/dbraw/zinc/19/83/57/1017198357.db2.gz JFSVFTTXCGBEKJ-NSHDSACASA-N -1 0 306.322 -0.285 20 0 DBADRM CCc1cc(CNC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001597471144 1017198900 /nfs/dbraw/zinc/19/89/00/1017198900.db2.gz RFJDONKGNZVLGB-LDYMZIIASA-N -1 0 324.337 -0.711 20 0 DBADRM CCc1n[nH]c(=O)c(CNC(=O)N2CC(O)(C(=O)[O-])C2)c1CC ZINC001597641985 1017201811 /nfs/dbraw/zinc/20/18/11/1017201811.db2.gz PQXPFTCKDQSBOL-UHFFFAOYSA-N -1 0 324.337 -0.352 20 0 DBADRM CCc1c[nH]c(CC(=O)NCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC001597627886 1017202494 /nfs/dbraw/zinc/20/24/94/1017202494.db2.gz XGJMKDCUSLPCJM-QWRGUYRKSA-N -1 0 322.365 -0.190 20 0 DBADRM CCc1nc(CN2CC(O)(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)no1 ZINC001597667896 1017203982 /nfs/dbraw/zinc/20/39/82/1017203982.db2.gz ZZGAFGXNBQVOFZ-DTWKUNHWSA-N -1 0 324.337 -0.984 20 0 DBADRM CCc1nc[nH]c1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001597697643 1017204015 /nfs/dbraw/zinc/20/40/15/1017204015.db2.gz JRDKFBMRVRCVTP-UHFFFAOYSA-N -1 0 310.354 -0.169 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CO)COC ZINC001597781270 1017205442 /nfs/dbraw/zinc/20/54/42/1017205442.db2.gz URVCKKGSJSKMIA-SSDOTTSWSA-N -1 0 307.324 -0.174 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](O)COC ZINC001597784049 1017206219 /nfs/dbraw/zinc/20/62/19/1017206219.db2.gz JGCFDSWGURMYMI-ZETCQYMHSA-N -1 0 307.324 -0.174 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(=O)NC ZINC001597773062 1017206293 /nfs/dbraw/zinc/20/62/93/1017206293.db2.gz MYHUQUMNMGKEPQ-UHFFFAOYSA-N -1 0 304.324 -0.093 20 0 DBADRM CCc1nn(CN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c(=O)n1CC ZINC001597723605 1017207170 /nfs/dbraw/zinc/20/71/70/1017207170.db2.gz OEHQRXZBVHLMFL-CQSZACIVSA-N -1 0 323.353 -0.110 20 0 DBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(=O)NC ZINC001597785954 1017207867 /nfs/dbraw/zinc/20/78/67/1017207867.db2.gz VVZIVUYQTCCJRC-LURJTMIESA-N -1 0 304.324 -0.047 20 0 DBADRM CCn1c2ccccc2n(CC(=O)N[C@@](C)(CO)C(=O)[O-])c1=O ZINC001597835451 1017208368 /nfs/dbraw/zinc/20/83/68/1017208368.db2.gz WPUBXLCHQFRTGS-HNNXBMFYSA-N -1 0 321.333 -0.225 20 0 DBADRM CCn1c([C@H](O)COC)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001597843275 1017208575 /nfs/dbraw/zinc/20/85/75/1017208575.db2.gz PYSVGESBZYJZGR-RKDXNWHRSA-N -1 0 300.315 -0.732 20 0 DBADRM CCn1c(-c2nccn2C)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001597828727 1017208790 /nfs/dbraw/zinc/20/87/90/1017208790.db2.gz HCUMQVHVCWMSKK-VIFPVBQESA-N -1 0 306.326 -0.012 20 0 DBADRM CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001597868984 1017209114 /nfs/dbraw/zinc/20/91/14/1017209114.db2.gz QJGRFZZFXOQFQY-DTWKUNHWSA-N -1 0 309.326 -0.461 20 0 DBADRM CCn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1[C@]1(C)CNC(=O)C1 ZINC001597858196 1017209239 /nfs/dbraw/zinc/20/92/39/1017209239.db2.gz ATCVOMSLQSOENJ-XPTSAGLGSA-N -1 0 323.353 -0.635 20 0 DBADRM CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001597828966 1017209680 /nfs/dbraw/zinc/20/96/80/1017209680.db2.gz PGFOVZUZUPCEIU-SNVBAGLBSA-N -1 0 306.326 -0.012 20 0 DBADRM CCn1cc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)cn1 ZINC001597887476 1017210671 /nfs/dbraw/zinc/21/06/71/1017210671.db2.gz MUYSJMVJRYKRJI-NSHDSACASA-N -1 0 308.338 -0.158 20 0 DBADRM CCn1cc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cn1 ZINC001597875757 1017210851 /nfs/dbraw/zinc/21/08/51/1017210851.db2.gz NPXISZVVNHUQDB-RYUDHWBXSA-N -1 0 320.349 -0.092 20 0 DBADRM CCn1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])cn1 ZINC001597875836 1017210877 /nfs/dbraw/zinc/21/08/77/1017210877.db2.gz RDKFKSMWEAWQQL-JTQLQIEISA-N -1 0 315.351 -0.383 20 0 DBADRM CCn1cc(CNC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)nn1 ZINC001597889917 1017212098 /nfs/dbraw/zinc/21/20/98/1017212098.db2.gz ZPONVUOWLMBNKJ-IINYFYTJSA-N -1 0 323.353 -0.069 20 0 DBADRM CCn1cc(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)cn1 ZINC001597881166 1017212192 /nfs/dbraw/zinc/21/21/92/1017212192.db2.gz VROJLGFECIPVPD-GHMZBOCLSA-N -1 0 309.322 -0.222 20 0 DBADRM CCn1cc(CNC/C=C\CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nn1 ZINC001597890707 1017212242 /nfs/dbraw/zinc/21/22/42/1017212242.db2.gz OWTYQWBMHNUFSK-OPVGQWETSA-N -1 0 307.354 -0.219 20 0 DBADRM CCn1cc(CN2C(=O)[C@H]3C[C@@H](C(=O)[O-])CCN3C2=O)nn1 ZINC001597887230 1017212360 /nfs/dbraw/zinc/21/23/60/1017212360.db2.gz GLPYMIFQJUNAGB-WCBMZHEXSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1cc(CC(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nn1 ZINC001597881339 1017212517 /nfs/dbraw/zinc/21/25/17/1017212517.db2.gz XJLJHZWVNQVBDB-GHMZBOCLSA-N -1 0 323.353 -0.864 20 0 DBADRM CCn1ccc(C(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])n1 ZINC001597901991 1017213947 /nfs/dbraw/zinc/21/39/47/1017213947.db2.gz DHERQZUWGKBVEI-UHFFFAOYSA-N -1 0 309.282 -0.052 20 0 DBADRM CCn1ccnc1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597915029 1017214239 /nfs/dbraw/zinc/21/42/39/1017214239.db2.gz OIHMEVZFPORDNR-VHSXEESVSA-N -1 0 306.322 -0.436 20 0 DBADRM CCn1ncc(Br)c1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001597947740 1017215904 /nfs/dbraw/zinc/21/59/04/1017215904.db2.gz TYGAGOMJAZWIOT-LURJTMIESA-N -1 0 306.116 -0.159 20 0 DBADRM CCn1nc(C)c(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])c1C ZINC001597932596 1017216030 /nfs/dbraw/zinc/21/60/30/1017216030.db2.gz OEPMQRAIMSOXAX-JTQLQIEISA-N -1 0 306.326 -0.005 20 0 DBADRM CCn1nc(C)cc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001597944144 1017217575 /nfs/dbraw/zinc/21/75/75/1017217575.db2.gz ADJYIBOOLZOZST-ZJUUUORDSA-N -1 0 324.337 -0.150 20 0 DBADRM CCn1nccc1CNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001597966054 1017218401 /nfs/dbraw/zinc/21/84/01/1017218401.db2.gz NTKOOWAUTNGQDV-JTQLQIEISA-N -1 0 308.338 -0.015 20 0 DBADRM CCn1ncc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)OC)n1 ZINC001597951135 1017218992 /nfs/dbraw/zinc/21/89/92/1017218992.db2.gz XZJVZRJROBQJQQ-PSASIEDQSA-N -1 0 310.310 -0.224 20 0 DBADRM CCn1nccc1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001597962615 1017219403 /nfs/dbraw/zinc/21/94/03/1017219403.db2.gz NYOQQPZQTFWYMF-NXEZZACHSA-N -1 0 308.338 -0.140 20 0 DBADRM CCn1ncc(C(=O)N[C@@H](C)CNc2ccnc(C(=O)[O-])n2)n1 ZINC001597953381 1017219443 /nfs/dbraw/zinc/21/94/43/1017219443.db2.gz FUVUGUVZFYMUQQ-QMMMGPOBSA-N -1 0 319.325 -0.562 20 0 DBADRM CCn1ncc(CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC001597957477 1017220255 /nfs/dbraw/zinc/22/02/55/1017220255.db2.gz WTIIFLIPAIUMIO-SCZZXKLOSA-N -1 0 302.356 -0.029 20 0 DBADRM CCn1nnc(C)c1CN1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001597972637 1017221042 /nfs/dbraw/zinc/22/10/42/1017221042.db2.gz DYKUOHFFNHXRCT-NWDGAFQWSA-N -1 0 321.381 -0.030 20 0 DBADRM CCn1nncc1CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001597976634 1017221102 /nfs/dbraw/zinc/22/11/02/1017221102.db2.gz ZGYZBPPVRKEWDK-VXGBXAGGSA-N -1 0 309.370 -0.091 20 0 DBADRM CCn1nncc1CNC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001597975869 1017221512 /nfs/dbraw/zinc/22/15/12/1017221512.db2.gz MRILLAFCZDDERC-AWEZNQCLSA-N -1 0 323.353 -0.373 20 0 DBADRM CCn1nncc1C(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001597973865 1017222004 /nfs/dbraw/zinc/22/20/04/1017222004.db2.gz IUOFWAXKGCNEMJ-QMMMGPOBSA-N -1 0 319.325 -0.562 20 0 DBADRM CCn1nncc1CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001597975386 1017222681 /nfs/dbraw/zinc/22/26/81/1017222681.db2.gz BOUCYGHTCZVDHT-VIFPVBQESA-N -1 0 302.356 -0.628 20 0 DBADRM CN(C(=O)C(=O)N1CCO[C@@H](CCF)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597983594 1017223731 /nfs/dbraw/zinc/22/37/31/1017223731.db2.gz XPVQNOJEUVKBBR-AXFHLTTASA-N -1 0 316.329 -0.105 20 0 DBADRM CN(C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)[C@H]1CCNC1=O ZINC001597989809 1017223797 /nfs/dbraw/zinc/22/37/97/1017223797.db2.gz DEZMDFAAPRYPQG-NSHDSACASA-N -1 0 319.317 -0.401 20 0 DBADRM CN(C(=O)C(=O)Nc1cccc(C(=O)[O-])n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001597991047 1017224609 /nfs/dbraw/zinc/22/46/09/1017224609.db2.gz XUWZWPVJWBHLHY-OCAPTIKFSA-N -1 0 320.305 -0.559 20 0 DBADRM CN(C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)[C@H]1CCSC1 ZINC001597983639 1017225039 /nfs/dbraw/zinc/22/50/39/1017225039.db2.gz YOHAFPSSGXQYDZ-IUCAKERBSA-N -1 0 302.352 -0.738 20 0 DBADRM CN(C(=O)C(=O)NCc1nc(C2CC2)no1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597984737 1017225173 /nfs/dbraw/zinc/22/51/73/1017225173.db2.gz XUGITPZNGBFUMD-DTORHVGOSA-N -1 0 322.321 -0.115 20 0 DBADRM CN(C(=O)Cn1ccnc1)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598041749 1017230828 /nfs/dbraw/zinc/23/08/28/1017230828.db2.gz VRBYQXBZWXSNHD-QWRGUYRKSA-N -1 0 306.322 -0.727 20 0 DBADRM CN(C(=O)Cn1cnc(C(N)=O)n1)c1ncc(C(=O)[O-])s1 ZINC001598041880 1017231315 /nfs/dbraw/zinc/23/13/15/1017231315.db2.gz DPCCNOFKNIBFTJ-UHFFFAOYSA-N -1 0 310.295 -0.805 20 0 DBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001598284073 1017255928 /nfs/dbraw/zinc/25/59/28/1017255928.db2.gz YFNCZIGCMFODDU-OYGCIMKHSA-N -1 0 323.343 -0.496 20 0 DBADRM CN(C[C@@H]1CCCOC1)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001598459974 1017269340 /nfs/dbraw/zinc/26/93/40/1017269340.db2.gz DFBZNWHWXBIYSV-VIFPVBQESA-N -1 0 324.337 -0.058 20 0 DBADRM CN(CCNC(=O)c1n[nH]cc1F)c1ccnc(C(=O)[O-])n1 ZINC001598496249 1017289980 /nfs/dbraw/zinc/28/99/80/1017289980.db2.gz YGWMWFXDVLMLPU-UHFFFAOYSA-N -1 0 308.273 -0.097 20 0 DBADRM CN(CCn1cnnc1)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598503377 1017292652 /nfs/dbraw/zinc/29/26/52/1017292652.db2.gz HPZAKQFQWQLFOQ-JTQLQIEISA-N -1 0 309.326 -0.940 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001598500813 1017292681 /nfs/dbraw/zinc/29/26/81/1017292681.db2.gz ZWNSVWOHUIUJQH-KYXWUPHJSA-N -1 0 319.383 -0.584 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cn(C(C)(C)C)nn2)CC1=O ZINC001598562297 1017304674 /nfs/dbraw/zinc/30/46/74/1017304674.db2.gz JAPNUUOADWTJLF-VIFPVBQESA-N -1 0 309.326 -0.600 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc3nccn3c2)CC1=O ZINC001598562042 1017305111 /nfs/dbraw/zinc/30/51/11/1017305111.db2.gz GNSVVTBKIVDJRO-SNVBAGLBSA-N -1 0 302.290 -0.298 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cccc3cn[nH]c32)CC1=O ZINC001598562534 1017305257 /nfs/dbraw/zinc/30/52/57/1017305257.db2.gz KXXDGFRGVAEQAR-JTQLQIEISA-N -1 0 302.290 -0.070 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cccc3nccnc32)CC1=O ZINC001598562291 1017305692 /nfs/dbraw/zinc/30/56/92/1017305692.db2.gz JACWUNJMTVMOBP-NSHDSACASA-N -1 0 314.301 -0.003 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(CCCNC(=O)C(F)(F)F)CC1=O ZINC001598562916 1017305711 /nfs/dbraw/zinc/30/57/11/1017305711.db2.gz GIIFGMHKONUAKZ-ZETCQYMHSA-N -1 0 311.260 -0.718 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cc3c[nH]ccc-3n2)CC1=O ZINC001598562065 1017306025 /nfs/dbraw/zinc/30/60/25/1017306025.db2.gz GZAXDXWMULIFEK-NSHDSACASA-N -1 0 302.290 -0.070 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@H]2CCc3nccn3C2)CC1=O ZINC001598564073 1017307614 /nfs/dbraw/zinc/30/76/14/1017307614.db2.gz WMSVXVBCTHLYAN-UWVGGRQHSA-N -1 0 306.322 -0.801 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C[C@H](O)C[C@](C)(O)C2CC2)CC1=O ZINC001598563895 1017308007 /nfs/dbraw/zinc/30/80/07/1017308007.db2.gz QBDKZKDSWNZHPQ-GYSYKLTISA-N -1 0 300.355 -0.874 20 0 DBADRM Cn1cc(Cl)c(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])n1 ZINC001598564171 1017308044 /nfs/dbraw/zinc/30/80/44/1017308044.db2.gz RFSGANPDERLCQR-SSDOTTSWSA-N -1 0 300.702 -0.559 20 0 DBADRM CN1CC[C@H](n2nnnc2N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1=O ZINC001598588749 1017325331 /nfs/dbraw/zinc/32/53/31/1017325331.db2.gz GIYITEVABKRMIU-AXFHLTTASA-N -1 0 320.353 -0.377 20 0 DBADRM CN1CCC[C@H](NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1=O ZINC001598595352 1017326589 /nfs/dbraw/zinc/32/65/89/1017326589.db2.gz AHNWOXFFCAFYQV-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM CN1CCC[C@H](N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1=O ZINC001598595890 1017326653 /nfs/dbraw/zinc/32/66/53/1017326653.db2.gz DVUOYSFLWRDTIB-UWVGGRQHSA-N -1 0 304.368 -0.819 20 0 DBADRM CN1CCC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1=O ZINC001598596399 1017327373 /nfs/dbraw/zinc/32/73/73/1017327373.db2.gz LUYDLDZTASHSTG-QMMMGPOBSA-N -1 0 320.305 -0.545 20 0 DBADRM CN1CCCN(Cc2noc(CCC(=O)[O-])n2)S1(=O)=O ZINC001598600963 1017331193 /nfs/dbraw/zinc/33/11/93/1017331193.db2.gz IBDGBTGZGSZXNY-UHFFFAOYSA-N -1 0 304.328 -0.531 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001598605322 1017331277 /nfs/dbraw/zinc/33/12/77/1017331277.db2.gz ZZLBRNTVCQMDTA-GFCCVEGCSA-N -1 0 324.381 -0.377 20 0 DBADRM CN1CCN(C(=O)CCCn2ccc(C(=O)[O-])n2)[C@@H](CO)C1 ZINC001598606566 1017335898 /nfs/dbraw/zinc/33/58/98/1017335898.db2.gz YFRBVSPNGGBNFE-LLVKDONJSA-N -1 0 310.354 -0.504 20 0 DBADRM CN1CCN(C(=O)CNC(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC001598607601 1017335986 /nfs/dbraw/zinc/33/59/86/1017335986.db2.gz QWSJVDIUTNVBET-UHFFFAOYSA-N -1 0 319.361 -0.183 20 0 DBADRM CN1CCN(CC(=O)N2CCSC[C@H](C(=O)[O-])C2)CC1=O ZINC001598614736 1017343403 /nfs/dbraw/zinc/34/34/03/1017343403.db2.gz CGCJQQCMTJZWOV-SNVBAGLBSA-N -1 0 315.395 -0.963 20 0 DBADRM C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C[C@@H](C(=O)[O-])C1 ZINC001598609615 1017343633 /nfs/dbraw/zinc/34/36/33/1017343633.db2.gz MUZZTCLIXKMSKK-GARJFASQSA-N -1 0 313.354 -0.103 20 0 DBADRM CN1CCN(C)[C@H](CN2C(=O)[C@H]3CC[C@H](C(=O)[O-])CN3C2=O)C1 ZINC001598611205 1017343818 /nfs/dbraw/zinc/34/38/18/1017343818.db2.gz HJQMGCLMISNFOM-SDDRHHMPSA-N -1 0 324.381 -0.640 20 0 DBADRM CN1CCN(CC(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])CC1 ZINC001598615630 1017348555 /nfs/dbraw/zinc/34/85/55/1017348555.db2.gz JUUHPGUXMAPLTE-CQSZACIVSA-N -1 0 321.377 -0.118 20 0 DBADRM CN1CCN(CC(=O)Nc2nc3n(c2C(=O)[O-])CCC3)CC1=O ZINC001598615345 1017348717 /nfs/dbraw/zinc/34/87/17/1017348717.db2.gz UQXHMZPBKCWOPK-UHFFFAOYSA-N -1 0 321.337 -0.760 20 0 DBADRM CN1CCN(S(=O)(=O)NCc2ccc(C(=O)[O-])cn2)CC1 ZINC001598621797 1017353753 /nfs/dbraw/zinc/35/37/53/1017353753.db2.gz XOLGIFIKPZDAKJ-UHFFFAOYSA-N -1 0 314.367 -0.638 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)C1=O ZINC001598624161 1017355136 /nfs/dbraw/zinc/35/51/36/1017355136.db2.gz DDUWPIFAUQNOMG-KWQFWETISA-N -1 0 322.321 -0.610 20 0 DBADRM CN1CCO[C@@H](C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)C1=O ZINC001598625771 1017355686 /nfs/dbraw/zinc/35/56/86/1017355686.db2.gz OGLGFKCSUOGLBC-NEPJUHHUSA-N -1 0 324.308 -0.033 20 0 DBADRM CN1CCOC[C@H]1CNC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001598624113 1017355699 /nfs/dbraw/zinc/35/56/99/1017355699.db2.gz UMHKMWITFLZXBH-WDEREUQCSA-N -1 0 317.411 -0.224 20 0 DBADRM CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC001598631086 1017357787 /nfs/dbraw/zinc/35/77/87/1017357787.db2.gz XPRDHKIJWWHGJG-UHFFFAOYSA-N -1 0 307.306 -0.094 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)C1=O ZINC001598626499 1017358479 /nfs/dbraw/zinc/35/84/79/1017358479.db2.gz YOGBMDJGMNLLBT-XHDPSFHLSA-N -1 0 306.318 -0.040 20 0 DBADRM CN1CCc2ccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])cc21 ZINC001598627061 1017358515 /nfs/dbraw/zinc/35/85/15/1017358515.db2.gz FYXLPCQGNNLPEG-NSHDSACASA-N -1 0 321.333 -0.431 20 0 DBADRM CN1N=C(C(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])CCC1=O ZINC001598631644 1017359124 /nfs/dbraw/zinc/35/91/24/1017359124.db2.gz RCYVSAZVNYSECT-NSHDSACASA-N -1 0 311.338 -0.019 20 0 DBADRM CN1CCO[C@H](C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001598626307 1017359802 /nfs/dbraw/zinc/35/98/02/1017359802.db2.gz SUCFCXFAIGSDLY-PWSUYJOCSA-N -1 0 323.353 -0.530 20 0 DBADRM CNC(=O)[C@]1(C)CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001598635785 1017360604 /nfs/dbraw/zinc/36/06/04/1017360604.db2.gz ORAJGZVCCDJHIL-GFCCVEGCSA-N -1 0 306.384 -0.115 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001598633665 1017360689 /nfs/dbraw/zinc/36/06/89/1017360689.db2.gz PXUCZBMFDGKKEU-ZDUSSCGKSA-N -1 0 309.326 -0.042 20 0 DBADRM CNC(=O)C1(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)CCC1 ZINC001598633585 1017360802 /nfs/dbraw/zinc/36/08/02/1017360802.db2.gz ORKVCRFCLTXICD-VIFPVBQESA-N -1 0 312.322 -0.479 20 0 DBADRM CNC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001598632057 1017361596 /nfs/dbraw/zinc/36/15/96/1017361596.db2.gz KUAVJEWSYZEHJS-JTQLQIEISA-N -1 0 316.335 -0.922 20 0 DBADRM CNC(=O)C1(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)CCC1 ZINC001598633583 1017361819 /nfs/dbraw/zinc/36/18/19/1017361819.db2.gz ORKVCRFCLTXICD-SECBINFHSA-N -1 0 312.322 -0.479 20 0 DBADRM CNC(=O)C1(C(=O)N[C@@H](C)CNc2ncc(C(=O)[O-])cn2)CC1 ZINC001598633243 1017362044 /nfs/dbraw/zinc/36/20/44/1017362044.db2.gz XNUWZDGAOZTIIJ-QMMMGPOBSA-N -1 0 321.337 -0.382 20 0 DBADRM CNC(=O)[C@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])n2)CCO1 ZINC001598637504 1017363668 /nfs/dbraw/zinc/36/36/68/1017363668.db2.gz LYTWUCZIFXLTCF-SNVBAGLBSA-N -1 0 322.321 -0.835 20 0 DBADRM CNC(=O)C1CN(C(=O)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])C1 ZINC001598639470 1017364301 /nfs/dbraw/zinc/36/43/01/1017364301.db2.gz WMLRHWPXCVQXCU-UHFFFAOYSA-N -1 0 308.294 -0.836 20 0 DBADRM CNC(=O)CN(CC(=O)NCCC(=O)[O-])Cc1ccccc1 ZINC001598641352 1017364349 /nfs/dbraw/zinc/36/43/49/1017364349.db2.gz ATOVQYVMIOKIMV-UHFFFAOYSA-N -1 0 307.350 -0.175 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001598641905 1017365734 /nfs/dbraw/zinc/36/57/34/1017365734.db2.gz FAYAPGZQTGPRBU-HOMQSWHASA-N -1 0 312.370 -0.641 20 0 DBADRM CNC(=O)CN1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1 ZINC001598643795 1017366965 /nfs/dbraw/zinc/36/69/65/1017366965.db2.gz XLYBMPMCCNJGQW-UHFFFAOYSA-N -1 0 323.393 -0.088 20 0 DBADRM CNC(=O)CNC(=O)NCCc1ccc(C(=O)[O-])cc1OC ZINC001598644909 1017367207 /nfs/dbraw/zinc/36/72/07/1017367207.db2.gz OHDVGMOLHGWSED-UHFFFAOYSA-N -1 0 309.322 -0.019 20 0 DBADRM CNC(=O)CNS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001598645397 1017367557 /nfs/dbraw/zinc/36/75/57/1017367557.db2.gz WKNHUZYOQFIQBZ-UHFFFAOYSA-N -1 0 323.330 -0.043 20 0 DBADRM CNC(=O)CN1CCCN(C(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC001598642832 1017367608 /nfs/dbraw/zinc/36/76/08/1017367608.db2.gz KYBFVQVKAHMCLP-UHFFFAOYSA-N -1 0 320.349 -0.326 20 0 DBADRM CNC(=O)NC[C@H]1CN(C(=O)c2ccc(C(=O)[O-])o2)CCO1 ZINC001598650385 1017368320 /nfs/dbraw/zinc/36/83/20/1017368320.db2.gz AAAPHZAAORAYOK-QMMMGPOBSA-N -1 0 311.294 -0.252 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)C[C@@H](C)CC(=O)[O-])CCO1 ZINC001598651604 1017369068 /nfs/dbraw/zinc/36/90/68/1017369068.db2.gz KFYDDKSZLDKXNQ-NXEZZACHSA-N -1 0 301.343 -0.356 20 0 DBADRM CNC(=O)NC[C@@H]1CCCCN1CC(=O)NCCC(=O)[O-] ZINC001598652281 1017369105 /nfs/dbraw/zinc/36/91/05/1017369105.db2.gz PLQBIXVRFLKZMI-JTQLQIEISA-N -1 0 300.359 -0.639 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)n1 ZINC001598652239 1017369397 /nfs/dbraw/zinc/36/93/97/1017369397.db2.gz YHWBJDBFEOLDMO-UHFFFAOYSA-N -1 0 321.337 -0.002 20 0 DBADRM CNC(=O)N1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1 ZINC001598652345 1017370193 /nfs/dbraw/zinc/37/01/93/1017370193.db2.gz PBQGWHKWSOVLDF-WDEREUQCSA-N -1 0 313.354 -0.260 20 0 DBADRM CNC(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001598651935 1017370247 /nfs/dbraw/zinc/37/02/47/1017370247.db2.gz NQLWICQFLDLAPU-HTQZYQBOSA-N -1 0 324.341 -0.591 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(C(=O)[O-])n1C ZINC001598655494 1017370697 /nfs/dbraw/zinc/37/06/97/1017370697.db2.gz HXMLIPDYOLJLHD-VIFPVBQESA-N -1 0 319.321 -0.467 20 0 DBADRM CNC(=O)NC1CCN(C(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)CC1 ZINC001598653474 1017371322 /nfs/dbraw/zinc/37/13/22/1017371322.db2.gz SNNDJLPFOBFYTR-LSJOCFKGSA-N -1 0 313.354 -0.215 20 0 DBADRM CNC(=O)[C@@H](NC(=O)COCc1ocnc1C(=O)[O-])C(C)C ZINC001598655811 1017371534 /nfs/dbraw/zinc/37/15/34/1017371534.db2.gz JJEYYSGYZLKVCB-JTQLQIEISA-N -1 0 313.310 -0.224 20 0 DBADRM CNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC001598652622 1017371560 /nfs/dbraw/zinc/37/15/60/1017371560.db2.gz JCMGTIKRCPTRMU-SECBINFHSA-N -1 0 322.387 -0.969 20 0 DBADRM CNC(=O)NCC(=O)N(C)[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001598653148 1017372070 /nfs/dbraw/zinc/37/20/70/1017372070.db2.gz XSLDWAOQNKDRDJ-MRVPVSSYSA-N -1 0 324.341 -0.637 20 0 DBADRM CNC(=O)[C@@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C(C)C ZINC001598655705 1017372472 /nfs/dbraw/zinc/37/24/72/1017372472.db2.gz GFRVJFGIQLZCKA-QMMMGPOBSA-N -1 0 318.355 -0.535 20 0 DBADRM CNC(=O)NC[C@@H]1CN(c2ncc(C(=O)[O-])s2)CCO1 ZINC001598654019 1017372597 /nfs/dbraw/zinc/37/25/97/1017372597.db2.gz ZEBYPULWXGRNPJ-SSDOTTSWSA-N -1 0 300.340 -0.025 20 0 DBADRM CNC(=O)[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1)C(C)C ZINC001598656146 1017373636 /nfs/dbraw/zinc/37/36/36/1017373636.db2.gz QTHPALKBMWWJNW-JTQLQIEISA-N -1 0 322.321 -0.395 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN([C@H](CCC(=O)[O-])C(=O)OC)C1 ZINC001598669318 1017379663 /nfs/dbraw/zinc/37/96/63/1017379663.db2.gz LQPYFQCSXRQCDA-VHSXEESVSA-N -1 0 322.383 -0.594 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)CCSCC(=O)[O-])C1 ZINC001598670141 1017379683 /nfs/dbraw/zinc/37/96/83/1017379683.db2.gz WUOMFAWCOUJYPQ-QMMMGPOBSA-N -1 0 310.397 -0.656 20 0 DBADRM CNS(=O)(=O)NCC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001598670344 1017380436 /nfs/dbraw/zinc/38/04/36/1017380436.db2.gz BMCHJGKNSCWKIZ-UHFFFAOYSA-N -1 0 307.372 -0.809 20 0 DBADRM CNC(=O)c1cncc(/C=C/C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC001598662224 1017374535 /nfs/dbraw/zinc/37/45/35/1017374535.db2.gz WEUQWZLIRYIXSU-FQVTYBBZSA-N -1 0 319.317 -0.499 20 0 DBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001598656309 1017374652 /nfs/dbraw/zinc/37/46/52/1017374652.db2.gz WPFACJWCHLFSMT-QMMMGPOBSA-N -1 0 300.336 -0.274 20 0 DBADRM CNC(=O)c1ccc(=O)n(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC001598656494 1017375323 /nfs/dbraw/zinc/37/53/23/1017375323.db2.gz ATBJYDCUMGAZLV-LLVKDONJSA-N -1 0 323.349 -0.177 20 0 DBADRM CNC(=O)c1ccc(NC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])nn1 ZINC001598658987 1017375588 /nfs/dbraw/zinc/37/55/88/1017375588.db2.gz QSMABOHUGBTSOA-IMTBSYHQSA-N -1 0 309.282 -0.800 20 0 DBADRM CNC(=O)c1ccc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])cc1 ZINC001598659841 1017375646 /nfs/dbraw/zinc/37/56/46/1017375646.db2.gz ZASAVWIIBVXVAT-VIFPVBQESA-N -1 0 304.299 -0.253 20 0 DBADRM CNC(=O)[C@H](C)NC(=O)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001598656162 1017375660 /nfs/dbraw/zinc/37/56/60/1017375660.db2.gz RGJFSJOZZQYUDK-LURJTMIESA-N -1 0 313.335 -0.056 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN([C@H](CCC(=O)[O-])C(=O)OC)C1 ZINC001598669316 1017379876 /nfs/dbraw/zinc/37/98/76/1017379876.db2.gz LQPYFQCSXRQCDA-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM CNS(=O)(=O)NC1CCN(Cc2oncc2C(=O)[O-])CC1 ZINC001598670566 1017379951 /nfs/dbraw/zinc/37/99/51/1017379951.db2.gz FMGKYXZEPNRATO-UHFFFAOYSA-N -1 0 318.355 -0.609 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001598669841 1017380900 /nfs/dbraw/zinc/38/09/00/1017380900.db2.gz SHZJQJBJFUKVPQ-KXUCPTDWSA-N -1 0 319.383 -0.570 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001598671917 1017381670 /nfs/dbraw/zinc/38/16/70/1017381670.db2.gz UFCUUCCODPKORT-LBPRGKRZSA-N -1 0 321.399 -0.178 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001598671081 1017382975 /nfs/dbraw/zinc/38/29/75/1017382975.db2.gz NGHNEMKZNANAMK-UHFFFAOYSA-N -1 0 301.324 -0.694 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001598670816 1017383048 /nfs/dbraw/zinc/38/30/48/1017383048.db2.gz JMFBJYTWUKOFDN-BBBLOLIVSA-N -1 0 304.368 -0.505 20 0 DBADRM CNS(=O)(=O)CCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001598671927 1017383734 /nfs/dbraw/zinc/38/37/34/1017383734.db2.gz UMDKMSBQJMOVKU-VHSXEESVSA-N -1 0 321.399 -0.322 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)OC/C=C(\C)C(=O)[O-])CC1 ZINC001598671470 1017383757 /nfs/dbraw/zinc/38/37/57/1017383757.db2.gz MUTGOZAOWQIAEW-WEVVVXLNSA-N -1 0 320.367 -0.263 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC001598672357 1017383801 /nfs/dbraw/zinc/38/38/01/1017383801.db2.gz ZSASUGYPSYNLDJ-AEJSXWLSSA-N -1 0 304.368 -0.363 20 0 DBADRM CNS(=O)(=O)CCNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001598672668 1017384648 /nfs/dbraw/zinc/38/46/48/1017384648.db2.gz ZIIUXEMESJTUEG-UHFFFAOYSA-N -1 0 316.335 -0.571 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)C(=O)[O-])cc1 ZINC001598673093 1017384708 /nfs/dbraw/zinc/38/47/08/1017384708.db2.gz QVIRGJPBJAHSEG-SSDOTTSWSA-N -1 0 315.303 -0.206 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)N[C@@H](COC)C(=O)[O-])c1 ZINC001598677125 1017384884 /nfs/dbraw/zinc/38/48/84/1017384884.db2.gz GJGNTNZTIKODDZ-ZETCQYMHSA-N -1 0 322.364 -0.514 20 0 DBADRM CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC001598673164 1017384914 /nfs/dbraw/zinc/38/49/14/1017384914.db2.gz SEICPSNLJHJUDW-JTQLQIEISA-N -1 0 316.335 -0.922 20 0 DBADRM CNS(=O)(=O)c1ccc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001598675383 1017385032 /nfs/dbraw/zinc/38/50/32/1017385032.db2.gz SGXRDDHIWYYXAH-ZYHUDNBSSA-N -1 0 314.363 -0.386 20 0 DBADRM CNS(=O)(=O)c1cc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)co1 ZINC001598673130 1017386303 /nfs/dbraw/zinc/38/63/03/1017386303.db2.gz GWQSTNXFUHCFGK-NSHDSACASA-N -1 0 320.298 -0.174 20 0 DBADRM CNS(=O)(=O)c1csc(C(=O)N2CC(C(=O)[O-])C2)c1 ZINC001598677700 1017386469 /nfs/dbraw/zinc/38/64/69/1017386469.db2.gz YSZMHOFXACGPCN-UHFFFAOYSA-N -1 0 304.349 -0.187 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)O[C@@H](COC)C(=O)[O-])cc1 ZINC001598672957 1017386595 /nfs/dbraw/zinc/38/65/95/1017386595.db2.gz NNSPDKNIKWRMLQ-JTQLQIEISA-N -1 0 317.319 -0.149 20 0 DBADRM COC(=O)[C@H](C)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598687937 1017387466 /nfs/dbraw/zinc/38/74/66/1017387466.db2.gz CAEWXERBSAWQSQ-BDAKNGLRSA-N -1 0 300.311 -0.765 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001598685012 1017387512 /nfs/dbraw/zinc/38/75/12/1017387512.db2.gz ZKJYKRHHUBQDFB-UHFFFAOYSA-N -1 0 323.367 -0.573 20 0 DBADRM COC(=O)[C@@](C)(NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C1CC1 ZINC001598687101 1017387711 /nfs/dbraw/zinc/38/77/11/1017387711.db2.gz DSJKVCONRXIONN-NSHDSACASA-N -1 0 317.323 -0.272 20 0 DBADRM COC(=O)[C@](C)(O)C[NH+]1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001598687546 1017387740 /nfs/dbraw/zinc/38/77/40/1017387740.db2.gz JCIJPORXKUMAEV-CYBMUJFWSA-N -1 0 315.366 -0.008 20 0 DBADRM CNc1nnc(CC(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])s1 ZINC001598682422 1017388149 /nfs/dbraw/zinc/38/81/49/1017388149.db2.gz JMKFUUAEUOHDTE-SSDOTTSWSA-N -1 0 310.339 -0.343 20 0 DBADRM CNc1nnc(CC(=O)NCCC(=O)NCCC(=O)[O-])s1 ZINC001598682872 1017388199 /nfs/dbraw/zinc/38/81/99/1017388199.db2.gz UVSWGECJYCTVKA-UHFFFAOYSA-N -1 0 315.355 -0.781 20 0 DBADRM CNc1nnc(CC(=O)N2CC[C@@](OC)(C(=O)[O-])C2)s1 ZINC001598682479 1017388411 /nfs/dbraw/zinc/38/84/11/1017388411.db2.gz LSAHTORHDPUQKE-NSHDSACASA-N -1 0 300.340 -0.176 20 0 DBADRM COC(=O)/C(C)=C/CN1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001598687029 1017388468 /nfs/dbraw/zinc/38/84/68/1017388468.db2.gz DEMRIMCDRLJQIP-NEDLJVEISA-N -1 0 312.366 -0.033 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001598683643 1017389241 /nfs/dbraw/zinc/38/92/41/1017389241.db2.gz CYVJOTLAPRPFCC-JGVFFNPUSA-N -1 0 309.340 -0.653 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1nc2nccc(C)n2n1 ZINC001598693249 1017390090 /nfs/dbraw/zinc/39/00/90/1017390090.db2.gz DHAIZDYNRKNTDF-ZETCQYMHSA-N -1 0 307.266 -0.821 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc2nnn(C)c2c1 ZINC001598691473 1017390614 /nfs/dbraw/zinc/39/06/14/1017390614.db2.gz BILHAUIETHGWER-VIFPVBQESA-N -1 0 306.278 -0.286 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H]1COc2ccccc2O1 ZINC001598692311 1017390648 /nfs/dbraw/zinc/39/06/48/1017390648.db2.gz CFTLGWTXBIDOMU-LDYMZIIASA-N -1 0 309.274 -0.041 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cnc2c(c1)nnn2C ZINC001598693699 1017390777 /nfs/dbraw/zinc/39/07/77/1017390777.db2.gz FVBKXJCRNDQLLF-QMMMGPOBSA-N -1 0 307.266 -0.891 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](O)c1cccc(OC)c1 ZINC001598694426 1017390845 /nfs/dbraw/zinc/39/08/45/1017390845.db2.gz MSSIOJVXEYDKDF-ZYHUDNBSSA-N -1 0 311.290 -0.139 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccn(CC(F)F)n1 ZINC001598694371 1017390916 /nfs/dbraw/zinc/39/09/16/1017390916.db2.gz XYPBFXWSOISSPF-ZETCQYMHSA-N -1 0 305.237 -0.106 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001598694741 1017390942 /nfs/dbraw/zinc/39/09/42/1017390942.db2.gz ODMFQZGHFSBSBU-KCJUWKMLSA-N -1 0 309.322 -0.028 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccnc(-n2cncn2)c1 ZINC001598692393 1017391312 /nfs/dbraw/zinc/39/13/12/1017391312.db2.gz JYTLMZDELUXFDA-VIFPVBQESA-N -1 0 319.277 -0.592 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(CNC(N)=O)cc1 ZINC001598691845 1017391373 /nfs/dbraw/zinc/39/13/73/1017391373.db2.gz GFPTXJMJGGJNME-SNVBAGLBSA-N -1 0 323.305 -0.399 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1c(C)nn(C)c1C ZINC001598694933 1017392242 /nfs/dbraw/zinc/39/22/42/1017392242.db2.gz OGBBTWMUBANZDQ-MRVPVSSYSA-N -1 0 319.339 -0.668 20 0 DBADRM COC(=O)[C@H](CC(F)F)NS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598696386 1017392357 /nfs/dbraw/zinc/39/23/57/1017392357.db2.gz CONWZLRUZMPSGH-LURJTMIESA-N -1 0 315.294 -0.033 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001598698523 1017392842 /nfs/dbraw/zinc/39/28/42/1017392842.db2.gz KWGZHSZBLFCFTO-VHSXEESVSA-N -1 0 322.383 -0.642 20 0 DBADRM COC(=O)[C@H](CF)NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001598699836 1017393115 /nfs/dbraw/zinc/39/31/15/1017393115.db2.gz SZGBKGLOVPUMDP-ZETCQYMHSA-N -1 0 308.287 -0.487 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001598698992 1017393348 /nfs/dbraw/zinc/39/33/48/1017393348.db2.gz NLKMCLRNZFDHAV-KXUCPTDWSA-N -1 0 300.311 -0.177 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC001598695874 1017393998 /nfs/dbraw/zinc/39/39/98/1017393998.db2.gz ZWQHOYDQIBFLBJ-APPZFPTMSA-N -1 0 312.278 -0.470 20 0 DBADRM COC(=O)[C@H](CCF)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001598700430 1017395034 /nfs/dbraw/zinc/39/50/34/1017395034.db2.gz ZQRPAMBPYFMUTG-QMMMGPOBSA-N -1 0 322.314 -0.097 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001598704644 1017395906 /nfs/dbraw/zinc/39/59/06/1017395906.db2.gz PAPCJCVWNWJXKY-MRVPVSSYSA-N -1 0 321.282 -0.664 20 0 DBADRM COC(=O)[C@@]1(C)C[C@H](OC)CN1CCC(=O)NCC(=O)[O-] ZINC001598717131 1017396198 /nfs/dbraw/zinc/39/61/98/1017396198.db2.gz CSDDSQFICVUQCM-TVQRCGJNSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)c1ccnn1C ZINC001598706292 1017396423 /nfs/dbraw/zinc/39/64/23/1017396423.db2.gz SDLXZYNMFKGXSI-SNVBAGLBSA-N -1 0 319.277 -0.448 20 0 DBADRM COC(=O)[C@H](CCC(=O)[O-])N1CCO[C@@H](CNC(C)=O)C1 ZINC001598700441 1017396480 /nfs/dbraw/zinc/39/64/80/1017396480.db2.gz VRVGWVHNWLTZQG-QWRGUYRKSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)[C@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])c1ccnn1C ZINC001598709842 1017396631 /nfs/dbraw/zinc/39/66/31/1017396631.db2.gz QIVURANZCDTUMX-IONNQARKSA-N -1 0 319.339 -0.726 20 0 DBADRM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC001598710658 1017396769 /nfs/dbraw/zinc/39/67/69/1017396769.db2.gz FVGHDKBMCXJIDX-NSHDSACASA-N -1 0 323.367 -0.573 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1CCO[C@@H](CNC(C)=O)C1 ZINC001598700442 1017396909 /nfs/dbraw/zinc/39/69/09/1017396909.db2.gz VRVGWVHNWLTZQG-WDEREUQCSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)[C@H](Cn1ccnc1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001598703445 1017397039 /nfs/dbraw/zinc/39/70/39/1017397039.db2.gz VMGBSPYNVDVBAM-AEJSXWLSSA-N -1 0 311.294 -0.827 20 0 DBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001598701773 1017397175 /nfs/dbraw/zinc/39/71/75/1017397175.db2.gz JPYHXHZZLVMIDI-NSHDSACASA-N -1 0 318.289 -0.052 20 0 DBADRM COC(=O)C1(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001598719790 1017398184 /nfs/dbraw/zinc/39/81/84/1017398184.db2.gz CQPPZJWBKFZAHA-UHFFFAOYSA-N -1 0 321.289 -0.212 20 0 DBADRM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001598719012 1017398615 /nfs/dbraw/zinc/39/86/15/1017398615.db2.gz ORRXFUCVCQUOCE-QIBSRJKCSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@]1(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCSC1 ZINC001598724957 1017398861 /nfs/dbraw/zinc/39/88/61/1017398861.db2.gz XNNVTQRCDVFNKX-LWINAJNOSA-N -1 0 303.336 -0.217 20 0 DBADRM COC(=O)C1(O)CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC001598724376 1017398915 /nfs/dbraw/zinc/39/89/15/1017398915.db2.gz MRHLNMMZNYCWAD-UHFFFAOYSA-N -1 0 308.290 -0.080 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CCC1 ZINC001598720377 1017399391 /nfs/dbraw/zinc/39/93/91/1017399391.db2.gz XYCDKZYETDXOGS-DTWKUNHWSA-N -1 0 321.351 -0.509 20 0 DBADRM COC(=O)[C@]1(C)C[C@@H](OC)CN1CCC(=O)N(C)CC(=O)[O-] ZINC001598719374 1017399938 /nfs/dbraw/zinc/39/99/38/1017399938.db2.gz XYQIUFSZQUXMBF-YGRLFVJLSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)C1(S(=O)(=O)NC[C@]2(C(=O)[O-])CCOC2)CCC1 ZINC001598725735 1017400996 /nfs/dbraw/zinc/40/09/96/1017400996.db2.gz IVOLKKHSAOZCJK-LLVKDONJSA-N -1 0 321.351 -0.507 20 0 DBADRM COC(=O)C1(O)CN(S(=O)(=O)CCCCCC(=O)[O-])C1 ZINC001598725493 1017401431 /nfs/dbraw/zinc/40/14/31/1017401431.db2.gz YVMIMACUUCJWOI-UHFFFAOYSA-N -1 0 309.340 -0.819 20 0 DBADRM COC(=O)C1(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC001598727469 1017401499 /nfs/dbraw/zinc/40/14/99/1017401499.db2.gz SJZYCFXWJOMCRV-UHFFFAOYSA-N -1 0 317.323 -0.801 20 0 DBADRM COC(=O)C1=NO[C@]2(CCN(C(=O)COCC(=O)[O-])C2)C1 ZINC001598728699 1017401667 /nfs/dbraw/zinc/40/16/67/1017401667.db2.gz KKOGQLPTXOUUNU-GFCCVEGCSA-N -1 0 300.267 -0.992 20 0 DBADRM COC(=O)C1(COC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1 ZINC001598726994 1017402129 /nfs/dbraw/zinc/40/21/29/1017402129.db2.gz KQXUFSHTCCMOMF-VIFPVBQESA-N -1 0 313.306 -0.194 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cc1cncn1C ZINC001598744843 1017403272 /nfs/dbraw/zinc/40/32/72/1017403272.db2.gz INJRCNFOJOCMBG-MWLCHTKSSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@H](C)NC(C)=O ZINC001598741799 1017403325 /nfs/dbraw/zinc/40/33/25/1017403325.db2.gz IUFDRZUMLFFWKT-HGNGGELXSA-N -1 0 300.311 -0.624 20 0 DBADRM COC(=O)[C@H]1[C@@H](O)CCCN1S(=O)(=O)CCCC(=O)[O-] ZINC001598745001 1017403521 /nfs/dbraw/zinc/40/35/21/1017403521.db2.gz RDIYVXFCYOWYTA-WCBMZHEXSA-N -1 0 309.340 -0.821 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@H]1CCC(=O)N1C ZINC001598743733 1017403865 /nfs/dbraw/zinc/40/38/65/1017403865.db2.gz DWYSLAUTZQBCRI-IVZWLZJFSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC001598744209 1017403940 /nfs/dbraw/zinc/40/39/40/1017403940.db2.gz NVOAILDCJZYFJL-MNOVXSKESA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001598749011 1017404959 /nfs/dbraw/zinc/40/49/59/1017404959.db2.gz CPHKLZABPKEFDU-SFYZADRCSA-N -1 0 324.289 -0.143 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cc(CO)on1 ZINC001598745332 1017405016 /nfs/dbraw/zinc/40/50/16/1017405016.db2.gz LLRDOQPPECJTDJ-OIBJUYFYSA-N -1 0 312.278 -0.355 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCc1cnn(C)n1 ZINC001598747860 1017405231 /nfs/dbraw/zinc/40/52/31/1017405231.db2.gz CCWLZPAAPNLMJN-MWLCHTKSSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C[C@H](C)NC(N)=O ZINC001598748256 1017405445 /nfs/dbraw/zinc/40/54/45/1017405445.db2.gz GMRLFZQWKOGYGN-YIZRAAEISA-N -1 0 315.326 -0.702 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598759447 1017407479 /nfs/dbraw/zinc/40/74/79/1017407479.db2.gz XFGZKRISZRHHGK-PSASIEDQSA-N -1 0 323.305 -0.674 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1CC(=O)Nc1ccncc1 ZINC001598753545 1017407657 /nfs/dbraw/zinc/40/76/57/1017407657.db2.gz VOTRMENJZZCLFX-CMPLNLGQSA-N -1 0 321.333 -0.220 20 0 DBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001598757853 1017407706 /nfs/dbraw/zinc/40/77/06/1017407706.db2.gz QKSRVHFLDWPQDB-QONHTCSSSA-N -1 0 314.338 -0.195 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598759453 1017407773 /nfs/dbraw/zinc/40/77/73/1017407773.db2.gz XFGZKRISZRHHGK-WPRPVWTQSA-N -1 0 323.305 -0.674 20 0 DBADRM COC(=O)[C@H]1C[C@H](O)CN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598759451 1017408035 /nfs/dbraw/zinc/40/80/35/1017408035.db2.gz XFGZKRISZRHHGK-WCBMZHEXSA-N -1 0 323.305 -0.674 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)CCSCC(=O)[O-])C1 ZINC001598753152 1017408234 /nfs/dbraw/zinc/40/82/34/1017408234.db2.gz AJCMVSVWEBQVGX-RKDXNWHRSA-N -1 0 305.352 -0.423 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N1CCOCC1 ZINC001598765251 1017409109 /nfs/dbraw/zinc/40/91/09/1017409109.db2.gz AHDDDAUENMZPFB-MNOVXSKESA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCC(N)=O ZINC001598763267 1017409274 /nfs/dbraw/zinc/40/92/74/1017409274.db2.gz PGDBCMFHQVVYAT-DTWKUNHWSA-N -1 0 300.311 -0.493 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N1CCOCC1 ZINC001598765252 1017409609 /nfs/dbraw/zinc/40/96/09/1017409609.db2.gz AHDDDAUENMZPFB-QWRGUYRKSA-N -1 0 314.338 -0.817 20 0 DBADRM COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001598764358 1017409814 /nfs/dbraw/zinc/40/98/14/1017409814.db2.gz HRWRNXXOXDEKMC-GZMMTYOYSA-N -1 0 323.305 -0.033 20 0 DBADRM COC(=O)[C@H]1C[C@H](OC)CCN1CCC(=O)N(C)CC(=O)[O-] ZINC001598767725 1017410039 /nfs/dbraw/zinc/41/00/39/1017410039.db2.gz YAKIXUAWVNYLSO-GHMZBOCLSA-N -1 0 316.354 -0.428 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C[C@@H]1COC(=O)C1 ZINC001598763710 1017410461 /nfs/dbraw/zinc/41/04/61/1017410461.db2.gz VRCGWZBZPSMGMW-AEJSXWLSSA-N -1 0 313.306 -0.196 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)Nc1ccncc1 ZINC001598771430 1017411331 /nfs/dbraw/zinc/41/13/31/1017411331.db2.gz RYCYIKZTNZPCBG-PWSUYJOCSA-N -1 0 321.333 -0.220 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001598770322 1017411343 /nfs/dbraw/zinc/41/13/43/1017411343.db2.gz GHIUMBJFDPVMSW-SCZZXKLOSA-N -1 0 323.305 -0.741 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2cncn2C)C1 ZINC001598772114 1017411465 /nfs/dbraw/zinc/41/14/65/1017411465.db2.gz FGABGMNNVUMTAN-KOLCDFICSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001598768693 1017411705 /nfs/dbraw/zinc/41/17/05/1017411705.db2.gz RQZPTVDHSBXBQD-OIBJUYFYSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C[C@@H]1CCS(=O)(=O)C1 ZINC001598768230 1017411734 /nfs/dbraw/zinc/41/17/34/1017411734.db2.gz LHKYYFVNXLTLSK-AXFHLTTASA-N -1 0 319.379 -0.241 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N=S(C)(C)=O ZINC001598769086 1017411743 /nfs/dbraw/zinc/41/17/43/1017411743.db2.gz MWNMFZPFPPVIGI-IUCAKERBSA-N -1 0 320.367 -0.421 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001598769265 1017412192 /nfs/dbraw/zinc/41/21/92/1017412192.db2.gz ODVNYEDKWGCYQH-XVKPBYJWSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001598770324 1017412438 /nfs/dbraw/zinc/41/24/38/1017412438.db2.gz GHIUMBJFDPVMSW-WPRPVWTQSA-N -1 0 323.305 -0.741 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001598768411 1017412543 /nfs/dbraw/zinc/41/25/43/1017412543.db2.gz AKZRUGHWNPEEOF-AXTSPUMRSA-N -1 0 313.306 -0.340 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001598769258 1017412580 /nfs/dbraw/zinc/41/25/80/1017412580.db2.gz ODVNYEDKWGCYQH-OIBJUYFYSA-N -1 0 323.305 -0.408 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N=S(C)(C)=O ZINC001598769089 1017412873 /nfs/dbraw/zinc/41/28/73/1017412873.db2.gz MWNMFZPFPPVIGI-RKDXNWHRSA-N -1 0 320.367 -0.421 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCCn2cncn2)C1 ZINC001598775974 1017413701 /nfs/dbraw/zinc/41/37/01/1017413701.db2.gz NZYKRDDWEGAGEO-QWRGUYRKSA-N -1 0 324.337 -0.077 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001598776715 1017413836 /nfs/dbraw/zinc/41/38/36/1017413836.db2.gz JKAAMKAZVPXXSU-APPZFPTMSA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2cnnn2C)C1 ZINC001598776491 1017414031 /nfs/dbraw/zinc/41/40/31/1017414031.db2.gz ORTTVEZVHBPEEF-WCBMZHEXSA-N -1 0 310.310 -0.778 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cn2nccc2N)C1 ZINC001598774007 1017414143 /nfs/dbraw/zinc/41/41/43/1017414143.db2.gz OXVWJUPRJRMLJU-IUCAKERBSA-N -1 0 310.310 -0.670 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CC2OCCO2)C1 ZINC001598776592 1017414256 /nfs/dbraw/zinc/41/42/56/1017414256.db2.gz PAHDLSNJJMJFKH-BDAKNGLRSA-N -1 0 301.295 -0.386 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cncc(OC)n1 ZINC001598774321 1017414428 /nfs/dbraw/zinc/41/44/28/1017414428.db2.gz ZBVYMPFXIZZBOL-PSASIEDQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(=O)cc[nH]2)C1 ZINC001598775192 1017414803 /nfs/dbraw/zinc/41/48/03/1017414803.db2.gz SJQYOCICWZPJGJ-KCJUWKMLSA-N -1 0 308.290 -0.147 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2coc(C(N)=O)c2)C1 ZINC001598773548 1017414925 /nfs/dbraw/zinc/41/49/25/1017414925.db2.gz AWGPGLBQGAQJOK-IONNQARKSA-N -1 0 324.289 -0.143 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)CC2OCCO2)C1 ZINC001598776594 1017415055 /nfs/dbraw/zinc/41/50/55/1017415055.db2.gz PAHDLSNJJMJFKH-DTWKUNHWSA-N -1 0 301.295 -0.386 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1CCS(=O)(=O)N(C)C ZINC001598775760 1017415081 /nfs/dbraw/zinc/41/50/81/1017415081.db2.gz HWRCAWWOSKMBCB-UWVGGRQHSA-N -1 0 322.383 -0.784 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCCn2cncn2)C1 ZINC001598775968 1017415102 /nfs/dbraw/zinc/41/51/02/1017415102.db2.gz NZYKRDDWEGAGEO-MNOVXSKESA-N -1 0 324.337 -0.077 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001598778245 1017416743 /nfs/dbraw/zinc/41/67/43/1017416743.db2.gz CYOJFABAHUNPHP-UTLUCORTSA-N -1 0 312.322 -0.528 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)C(=O)NCC(F)F)C1 ZINC001598783093 1017417356 /nfs/dbraw/zinc/41/73/56/1017417356.db2.gz WLEXCNVNMZLAPV-BQBZGAKWSA-N -1 0 322.264 -0.768 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2cn(C)nn2)C1 ZINC001598777605 1017417731 /nfs/dbraw/zinc/41/77/31/1017417731.db2.gz QYJHJNYXRLUART-KOLCDFICSA-N -1 0 324.337 -0.388 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001598789260 1017418445 /nfs/dbraw/zinc/41/84/45/1017418445.db2.gz KOPRJKSGBFDCGS-SSDOTTSWSA-N -1 0 324.293 -0.922 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cncc(OC)n2)[C@H](C(=O)[O-])C1 ZINC001598792018 1017418635 /nfs/dbraw/zinc/41/86/35/1017418635.db2.gz CHAJXEIXCDVSHK-WPRPVWTQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@H]1CCCN(CC(=O)NC(C)(C)C(=O)[O-])C1=O ZINC001598788771 1017418652 /nfs/dbraw/zinc/41/86/52/1017418652.db2.gz RVFSORKJFHMWSZ-QMMMGPOBSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@@H](C(=O)[O-])C1 ZINC001598792580 1017419035 /nfs/dbraw/zinc/41/90/35/1017419035.db2.gz MWBKFNGTQUPTRT-OPRDCNLKSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)CC(C)(C)OC)C[C@@H]1C(=O)[O-] ZINC001598824968 1017436493 /nfs/dbraw/zinc/43/64/93/1017436493.db2.gz JBXACWSAEGBEPJ-IUCAKERBSA-N -1 0 323.367 -0.453 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@@H](C(=O)[O-])C1 ZINC001598792578 1017419316 /nfs/dbraw/zinc/41/93/16/1017419316.db2.gz MWBKFNGTQUPTRT-KXUCPTDWSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](C)/C=C\C(=O)[O-])C1=O ZINC001598790156 1017419554 /nfs/dbraw/zinc/41/95/54/1017419554.db2.gz OPWVRJRBBWXXFJ-NRAIBSHISA-N -1 0 312.322 -0.457 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@H](O)c2ccccn2)[C@@H](C(=O)[O-])C1 ZINC001598790701 1017419759 /nfs/dbraw/zinc/41/97/59/1017419759.db2.gz RCMGWIGUDQVQRI-YUSALJHKSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H](O)CCSC)[C@@H](C(=O)[O-])C1 ZINC001598788949 1017419884 /nfs/dbraw/zinc/41/98/84/1017419884.db2.gz INAOVLVKIDHFAM-BBBLOLIVSA-N -1 0 319.379 -0.035 20 0 DBADRM COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])C1 ZINC001598791294 1017420018 /nfs/dbraw/zinc/42/00/18/1017420018.db2.gz OWLNYBPWZYCNBP-MXWKQRLJSA-N -1 0 324.337 -0.173 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)[C@H](C(=O)[O-])C1 ZINC001598789312 1017420111 /nfs/dbraw/zinc/42/01/11/1017420111.db2.gz LMUBYRDPGUHURM-VYUIOLGVSA-N -1 0 303.286 -0.020 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cccc[n+]2[O-])[C@@H](C(=O)[O-])C1 ZINC001598793886 1017421045 /nfs/dbraw/zinc/42/10/45/1017421045.db2.gz IQHHXTNRWQULPV-MWLCHTKSSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cc(CO)on2)[C@@H](C(=O)[O-])C1 ZINC001598795127 1017421147 /nfs/dbraw/zinc/42/11/47/1017421147.db2.gz DCCMWPVPPNOVCV-OIBJUYFYSA-N -1 0 312.278 -0.355 20 0 DBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cccnc2C(=O)[O-])C1 ZINC001598800544 1017421249 /nfs/dbraw/zinc/42/12/49/1017421249.db2.gz VCQAWDFIBYRYGK-MRVPVSSYSA-N -1 0 314.319 -0.037 20 0 DBADRM COC(=O)C1CCN(C(=O)CN[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001598794939 1017421386 /nfs/dbraw/zinc/42/13/86/1017421386.db2.gz STACYJCBFKGRBK-AWEZNQCLSA-N -1 0 314.338 -0.769 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H]2NC(=O)O[C@@H]2C)[C@H](C(=O)[O-])C1 ZINC001598794008 1017421494 /nfs/dbraw/zinc/42/14/94/1017421494.db2.gz RUYPKPBQJFLLBS-LURQLKTLSA-N -1 0 314.294 -0.652 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2cnc(C)nc2N)[C@H](C(=O)[O-])C1 ZINC001598795949 1017421569 /nfs/dbraw/zinc/42/15/69/1017421569.db2.gz RDVBXRQMXKSZCW-SCZZXKLOSA-N -1 0 322.321 -0.154 20 0 DBADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cccnc2C(=O)[O-])C1 ZINC001598800547 1017421677 /nfs/dbraw/zinc/42/16/77/1017421677.db2.gz VCQAWDFIBYRYGK-QMMMGPOBSA-N -1 0 314.319 -0.037 20 0 DBADRM COC(=O)CC(=O)N1CCN(C(=O)CC(=O)[O-])[C@H](C)[C@@H]1C ZINC001598831119 1017440250 /nfs/dbraw/zinc/44/02/50/1017440250.db2.gz HKLJTYOJKWCLLG-BDAKNGLRSA-N -1 0 300.311 -0.528 20 0 DBADRM COC(=O)[C@@H]1CCN(CCCS(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC001598797636 1017421743 /nfs/dbraw/zinc/42/17/43/1017421743.db2.gz BTCFVSIBGGYFFY-ZJUUUORDSA-N -1 0 307.368 -0.241 20 0 DBADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)[C@H]1C ZINC001598799609 1017422493 /nfs/dbraw/zinc/42/24/93/1017422493.db2.gz OLUJMMSBLFGHST-BQBZGAKWSA-N -1 0 317.323 -0.320 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cc(OC)ncn2)[C@H](C(=O)[O-])C1 ZINC001598795090 1017422567 /nfs/dbraw/zinc/42/25/67/1017422567.db2.gz CMSAXPMAZDNMIC-WPRPVWTQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[C@@H]3C2)C[C@H]1C(=O)[O-] ZINC001598805171 1017423895 /nfs/dbraw/zinc/42/38/95/1017423895.db2.gz ZWJVACMYFIIKBI-GWOFURMSSA-N -1 0 324.333 -0.813 20 0 DBADRM COC(=O)C1CN(C(=O)/C=C(\C)C(=O)N2CC(C(=O)[O-])C2)C1 ZINC001598805885 1017423941 /nfs/dbraw/zinc/42/39/41/1017423941.db2.gz FKDTULQZYUIUMQ-FPYGCLRLSA-N -1 0 310.306 -0.893 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H](C)[C@H]2CCC(=O)N2)C[C@@H]1C(=O)[O-] ZINC001598804049 1017424033 /nfs/dbraw/zinc/42/40/33/1017424033.db2.gz RUTDCGQFTCKDFX-UTINFBMNSA-N -1 0 312.322 -0.767 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](C)Cc2cnn(C)c2)C[C@@H]1C(=O)[O-] ZINC001598802865 1017424061 /nfs/dbraw/zinc/42/40/61/1017424061.db2.gz GSNRBGQHBZMNCC-ZMLRMANQSA-N -1 0 323.349 -0.069 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@H]1C(=O)[O-] ZINC001598806147 1017424223 /nfs/dbraw/zinc/42/42/23/1017424223.db2.gz FFGCXXHMEFXRRA-MNOVXSKESA-N -1 0 309.322 -0.168 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)[C@H]1C[C@H]1C(=O)N1CC[C@@H]1C(=O)[O-] ZINC001598804725 1017424377 /nfs/dbraw/zinc/42/43/77/1017424377.db2.gz XOWNHFWSAPXQGP-RGOKHQFPSA-N -1 0 310.306 -0.918 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@H](C)CC(=O)[O-])C[C@H]1C(=O)OC ZINC001598804069 1017424578 /nfs/dbraw/zinc/42/45/78/1017424578.db2.gz SDTVFYVWVKCIQN-HLTSFMKQSA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)[C@@H]1CCS(=O)(=O)N1Cc1oncc1C(=O)[O-] ZINC001598803141 1017424608 /nfs/dbraw/zinc/42/46/08/1017424608.db2.gz IXMSSCVDBXBCLU-ZETCQYMHSA-N -1 0 304.280 -0.550 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC=CCC2)C[C@H]1C(=O)[O-] ZINC001598802596 1017424853 /nfs/dbraw/zinc/42/48/53/1017424853.db2.gz FSLJDJCXNVRFOE-NXEZZACHSA-N -1 0 310.306 -0.893 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)C[C@H]1C(=O)[O-] ZINC001598807637 1017426352 /nfs/dbraw/zinc/42/63/52/1017426352.db2.gz MKVYRBGIYVVSJZ-OGBGREFGSA-N -1 0 309.318 -0.066 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@@H]1C(=O)[O-] ZINC001598810750 1017426542 /nfs/dbraw/zinc/42/65/42/1017426542.db2.gz VHYYPEHECBXJAN-IUCAKERBSA-N -1 0 315.713 -0.131 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](C)c2ccn(C)n2)C[C@H]1C(=O)[O-] ZINC001598808237 1017426593 /nfs/dbraw/zinc/42/65/93/1017426593.db2.gz MPIOLQZULOYMPC-OPRDCNLKSA-N -1 0 324.337 -0.004 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@H]1C(=O)[O-] ZINC001598808403 1017426608 /nfs/dbraw/zinc/42/66/08/1017426608.db2.gz DYWGIOQSPWEOEX-NEPJUHHUSA-N -1 0 323.349 -0.088 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CC2OCCCO2)C[C@@H]1C(=O)[O-] ZINC001598807451 1017426812 /nfs/dbraw/zinc/42/68/12/1017426812.db2.gz AOJJDKNGWJGCTJ-DTWKUNHWSA-N -1 0 301.295 -0.528 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@H]1C(=O)[O-] ZINC001598808415 1017426830 /nfs/dbraw/zinc/42/68/30/1017426830.db2.gz DYWGIOQSPWEOEX-VXGBXAGGSA-N -1 0 323.349 -0.088 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)c2ccn(C)n2)C[C@H]1C(=O)[O-] ZINC001598808232 1017426898 /nfs/dbraw/zinc/42/68/98/1017426898.db2.gz MPIOLQZULOYMPC-IVZWLZJFSA-N -1 0 324.337 -0.004 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H]1C(=O)[O-] ZINC001598810483 1017427092 /nfs/dbraw/zinc/42/70/92/1017427092.db2.gz LFMOOHWBHGHMBP-QWRGUYRKSA-N -1 0 309.322 -0.315 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCC2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598808454 1017427121 /nfs/dbraw/zinc/42/71/21/1017427121.db2.gz MAFSQYYOYXVWCM-WDEREUQCSA-N -1 0 314.338 -0.072 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1C(=O)[O-] ZINC001598813648 1017428598 /nfs/dbraw/zinc/42/85/98/1017428598.db2.gz WJWZEIPERWYYOV-GHMZBOCLSA-N -1 0 309.322 -0.315 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCCc2ccnn2C)C[C@@H]1C(=O)[O-] ZINC001598812535 1017428930 /nfs/dbraw/zinc/42/89/30/1017428930.db2.gz ZYDIKHKUPOXQSV-QWRGUYRKSA-N -1 0 324.337 -0.522 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)COCC(F)(F)F)C[C@H]1C(=O)[O-] ZINC001598810822 1017429253 /nfs/dbraw/zinc/42/92/53/1017429253.db2.gz LTNJGGFWQNHBAO-RQJHMYQMSA-N -1 0 313.228 -0.103 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@@H](NC=O)C(C)C)C[C@@H]1C(=O)[O-] ZINC001598814672 1017429322 /nfs/dbraw/zinc/42/93/22/1017429322.db2.gz LWTNPENRSIEUSL-GUBZILKMSA-N -1 0 300.311 -0.911 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)C)C[C@@H]1C(=O)[O-] ZINC001598813778 1017429745 /nfs/dbraw/zinc/42/97/45/1017429745.db2.gz HVVBRWJQBWGSHR-CIUDSAMLSA-N -1 0 315.326 -0.989 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@@H]1C(=O)[O-] ZINC001598819692 1017430792 /nfs/dbraw/zinc/43/07/92/1017430792.db2.gz DBSDYJZCZUXZHB-IUCAKERBSA-N -1 0 324.337 -0.021 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)Nc2cccn(C)c2=O)C[C@@H]1C(=O)[O-] ZINC001598815879 1017431974 /nfs/dbraw/zinc/43/19/74/1017431974.db2.gz PXXVESMBINMLRI-IUCAKERBSA-N -1 0 323.305 -0.277 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2c[nH]c(C(=O)[O-])c2)C[C@H]1C(=O)OC ZINC001598815932 1017432309 /nfs/dbraw/zinc/43/23/09/1017432309.db2.gz QHIMBIMWWUWMEQ-RKDXNWHRSA-N -1 0 324.289 -0.253 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1C(=O)[O-] ZINC001598822667 1017433675 /nfs/dbraw/zinc/43/36/75/1017433675.db2.gz RNTJCYHZLHYPOK-BDAKNGLRSA-N -1 0 307.306 -0.225 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cnn(CCF)c2)C[C@@H]1C(=O)[O-] ZINC001598822892 1017433767 /nfs/dbraw/zinc/43/37/67/1017433767.db2.gz UFKIEGBAPIIOTE-UWVGGRQHSA-N -1 0 313.285 -0.202 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cnc3[nH]cnc3c2)C[C@@H]1C(=O)[O-] ZINC001598822673 1017434028 /nfs/dbraw/zinc/43/40/28/1017434028.db2.gz RSHGPMLQHZNZRV-IUCAKERBSA-N -1 0 318.289 -0.096 20 0 DBADRM COC(=O)[C@@H]1CN(CC(=O)N=S(C)(C)=O)C[C@H]1C(=O)[O-] ZINC001598821776 1017434638 /nfs/dbraw/zinc/43/46/38/1017434638.db2.gz MJWUPADFPHVJFB-HTQZYQBOSA-N -1 0 306.340 -0.954 20 0 DBADRM COC(=O)[C@@H]1CN([C@@H](C)c2nnnn2C2CC2)C[C@H]1C(=O)[O-] ZINC001598820921 1017435159 /nfs/dbraw/zinc/43/51/59/1017435159.db2.gz WJUGJBLGYKKZQK-FXBDTBDDSA-N -1 0 309.326 -0.125 20 0 DBADRM COC(=O)[C@H]1CN(CN2CC(C)(C)OC2=O)C[C@@H]1C(=O)[O-] ZINC001598821921 1017435392 /nfs/dbraw/zinc/43/53/92/1017435392.db2.gz NLDOVMFETRWFGQ-IUCAKERBSA-N -1 0 300.311 -0.020 20 0 DBADRM COC(=O)[C@H]1CN(c2nccn(C(F)F)c2=O)C[C@@H]1C(=O)[O-] ZINC001598824839 1017436551 /nfs/dbraw/zinc/43/65/51/1017436551.db2.gz BDAPUYSRSNLORK-BQBZGAKWSA-N -1 0 317.248 -0.052 20 0 DBADRM COC(=O)[C@H]1CN(c2nnc(C3(OC)CC3)n2C)C[C@@H]1C(=O)[O-] ZINC001598826977 1017437470 /nfs/dbraw/zinc/43/74/70/1017437470.db2.gz LAHJNBPLEPLXNE-IUCAKERBSA-N -1 0 324.337 -0.239 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CC2)CCO1 ZINC001598825146 1017437494 /nfs/dbraw/zinc/43/74/94/1017437494.db2.gz JRDWQXVQDKLPAC-MRVPVSSYSA-N -1 0 307.324 -0.945 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C[C@H]1C(=O)[O-] ZINC001598827416 1017438126 /nfs/dbraw/zinc/43/81/26/1017438126.db2.gz QERNPYZFNZAKKU-SGIHWFKDSA-N -1 0 321.351 -0.701 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)Cc2ccno2)C[C@H]1C(=O)[O-] ZINC001598826618 1017438249 /nfs/dbraw/zinc/43/82/49/1017438249.db2.gz NVXHBGHSSFFCNJ-BDAKNGLRSA-N -1 0 318.307 -0.690 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)CCCCF)C[C@H]1C(=O)[O-] ZINC001598828491 1017439220 /nfs/dbraw/zinc/43/92/20/1017439220.db2.gz XARPCTSXHWHYFQ-RKDXNWHRSA-N -1 0 311.331 -0.129 20 0 DBADRM COC(=O)C[C@H](C)CC(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001598835981 1017439578 /nfs/dbraw/zinc/43/95/78/1017439578.db2.gz QYBOFXXWXYYCCS-BDAKNGLRSA-N -1 0 303.311 -0.092 20 0 DBADRM COC(=O)C[C@H](C)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001598835597 1017440109 /nfs/dbraw/zinc/44/01/09/1017440109.db2.gz IDMUCFODKHIYTA-CIUDSAMLSA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)/C=C(/C)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001598832761 1017440925 /nfs/dbraw/zinc/44/09/25/1017440925.db2.gz XAVZSJHVGUTSSK-HYHWUIIZSA-N -1 0 305.352 -0.321 20 0 DBADRM COC(=O)C[C@@H](NC(=O)Cn1c(C)c(C)sc1=O)C(=O)[O-] ZINC001598838654 1017441577 /nfs/dbraw/zinc/44/15/77/1017441577.db2.gz ZASZIOSPZFEAJY-MRVPVSSYSA-N -1 0 316.335 -0.341 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001598841966 1017441755 /nfs/dbraw/zinc/44/17/55/1017441755.db2.gz VRBJRUDAYKNFCS-JTQLQIEISA-N -1 0 311.290 -0.196 20 0 DBADRM COC(=O)C[C@H](NC(=O)C1CCN(C(=O)OC)CC1)C(=O)[O-] ZINC001598837211 1017442066 /nfs/dbraw/zinc/44/20/66/1017442066.db2.gz KYXSZCUFVUCGRH-VIFPVBQESA-N -1 0 316.310 -0.403 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc2nnn(C)c2c1)C(=O)[O-] ZINC001598837247 1017442183 /nfs/dbraw/zinc/44/21/83/1017442183.db2.gz AUIFUGHTQZVRSX-VIFPVBQESA-N -1 0 306.278 -0.286 20 0 DBADRM COC(=O)C[C@@H](NC(=O)c1cc(C(=O)OC)ccn1)C(=O)[O-] ZINC001598840722 1017442243 /nfs/dbraw/zinc/44/22/43/1017442243.db2.gz KNLQVLOSHXBVAF-SECBINFHSA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)C[C@H](NC(=O)CCn1c(C)csc1=O)C(=O)[O-] ZINC001598837010 1017442470 /nfs/dbraw/zinc/44/24/70/1017442470.db2.gz KEFOUEFKVAIAJY-QMMMGPOBSA-N -1 0 316.335 -0.259 20 0 DBADRM COC(=O)C[C@H](NC(=O)c1ccc(C(=O)OC)nc1)C(=O)[O-] ZINC001598838329 1017442738 /nfs/dbraw/zinc/44/27/38/1017442738.db2.gz LZOIQRHSTRIANS-VIFPVBQESA-N -1 0 310.262 -0.386 20 0 DBADRM COC(=O)C[C@H](NC(=O)CC[C@]1(C)CCC(=O)N1)C(=O)[O-] ZINC001598838192 1017442890 /nfs/dbraw/zinc/44/28/90/1017442890.db2.gz UNHUYEUDTRYAAZ-ISVAXAHUSA-N -1 0 300.311 -0.432 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)[O-])n1C ZINC001598845873 1017443844 /nfs/dbraw/zinc/44/38/44/1017443844.db2.gz LEOXGGZFRYNMMC-JTQLQIEISA-N -1 0 323.305 -0.773 20 0 DBADRM COC(=O)C[C@@]1(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CCCOC1 ZINC001598843440 1017444714 /nfs/dbraw/zinc/44/47/14/1017444714.db2.gz YTMGKQCVZYWHGJ-RBZYPMLTSA-N -1 0 315.322 -0.153 20 0 DBADRM COC(=O)C[C@H]1COCCN1C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001598843973 1017444762 /nfs/dbraw/zinc/44/47/62/1017444762.db2.gz ABIQUSPWQOCPHJ-JTQLQIEISA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)C[C@@]1(NS(=O)(=O)C[C@H](C)C(=O)[O-])CCCOC1 ZINC001598843487 1017444949 /nfs/dbraw/zinc/44/49/49/1017444949.db2.gz AYVFVIYTTUQZFL-CABZTGNLSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)C[C@H]1CN(CN2C[C@@H](C(=O)[O-])OC2=O)CCO1 ZINC001598845642 1017445130 /nfs/dbraw/zinc/44/51/30/1017445130.db2.gz RZBPUNNVZCBVCP-IUCAKERBSA-N -1 0 302.283 -0.887 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1oc(C(=O)[O-])cc1C ZINC001598845594 1017445616 /nfs/dbraw/zinc/44/56/16/1017445616.db2.gz JAMCSUXRQMMCRH-MRVPVSSYSA-N -1 0 324.289 -0.210 20 0 DBADRM COC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(C(=O)[O-])cn1 ZINC001598846769 1017446448 /nfs/dbraw/zinc/44/64/48/1017446448.db2.gz SIFGNCLIYHMMSN-NSHDSACASA-N -1 0 307.306 -0.357 20 0 DBADRM COC(=O)CC[C@@H](C(=O)[O-])N1CCO[C@@H](CNC(C)=O)C1 ZINC001598847573 1017446850 /nfs/dbraw/zinc/44/68/50/1017446850.db2.gz KPFYFMUNLYFBDB-QWRGUYRKSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(=O)CCCNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001598852594 1017447449 /nfs/dbraw/zinc/44/74/49/1017447449.db2.gz XIZZBFYCXJMYJV-UHFFFAOYSA-N -1 0 312.282 -0.874 20 0 DBADRM COC(=O)CCCS(=O)(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001598852451 1017447848 /nfs/dbraw/zinc/44/78/48/1017447848.db2.gz QGPGLMALFPZLIG-NSHDSACASA-N -1 0 309.340 -0.650 20 0 DBADRM COC(=O)CCNC(=O)COC(=O)c1ccnc(C(=O)[O-])c1 ZINC001598853485 1017448121 /nfs/dbraw/zinc/44/81/21/1017448121.db2.gz DWJQQQRPITUVRE-UHFFFAOYSA-N -1 0 310.262 -0.384 20 0 DBADRM COC(=O)CCCc1nc(CN2C[C@H](O)C[C@H]2C(=O)[O-])no1 ZINC001598852744 1017448492 /nfs/dbraw/zinc/44/84/92/1017448492.db2.gz BAMBWJBZKFSHNS-BDAKNGLRSA-N -1 0 313.310 -0.415 20 0 DBADRM COC(=O)CCN1CCC[C@H](OC(=O)C2(C(=O)[O-])CC2)C1=O ZINC001598854343 1017449718 /nfs/dbraw/zinc/44/97/18/1017449718.db2.gz XJZYIKFFVVCKIF-VIFPVBQESA-N -1 0 313.306 -0.052 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H](OC)c1cnn(C)c1)C(=O)[O-] ZINC001598855092 1017450097 /nfs/dbraw/zinc/45/00/97/1017450097.db2.gz DEKSJJQRZJYZRK-KOLCDFICSA-N -1 0 313.310 -0.370 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CCn1cnccc1=O)C(=O)[O-] ZINC001598856101 1017450145 /nfs/dbraw/zinc/45/01/45/1017450145.db2.gz KBAYTMLXPADDGQ-SECBINFHSA-N -1 0 311.294 -0.844 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CC[C@@]1(C)CCC(=O)N1)C(=O)[O-] ZINC001598856735 1017450298 /nfs/dbraw/zinc/45/02/98/1017450298.db2.gz UKFQUWCATUVURY-OTYXRUKQSA-N -1 0 314.338 -0.042 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CCCN(C)C(=O)OC)C(=O)[O-] ZINC001598856347 1017450462 /nfs/dbraw/zinc/45/04/62/1017450462.db2.gz MERTXQMCRUUVQC-SECBINFHSA-N -1 0 318.326 -0.013 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)c1cc(CN(C)C)on1)C(=O)[O-] ZINC001598857017 1017451214 /nfs/dbraw/zinc/45/12/14/1017451214.db2.gz NRLXQDRAFKWUCM-SECBINFHSA-N -1 0 313.310 -0.128 20 0 DBADRM COC(=O)CCN1CC[C@H](Nc2ccn(CC(=O)[O-])n2)C1=O ZINC001598854321 1017451317 /nfs/dbraw/zinc/45/13/17/1017451317.db2.gz WWBDLBANJLAJRS-VIFPVBQESA-N -1 0 310.310 -0.456 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)N1CCSCC1 ZINC001598861322 1017452247 /nfs/dbraw/zinc/45/22/47/1017452247.db2.gz UHVFGGZBLXWLNC-VIFPVBQESA-N -1 0 304.368 -0.490 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)N(C)CC(F)(F)F ZINC001598860786 1017452614 /nfs/dbraw/zinc/45/26/14/1017452614.db2.gz ILAJNAUABKAPEE-ZETCQYMHSA-N -1 0 314.260 -0.045 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)C[C@H](OC)C1CC1 ZINC001598862307 1017455206 /nfs/dbraw/zinc/45/52/06/1017455206.db2.gz AYLNXTDTIPIWTN-VIFPVBQESA-N -1 0 309.340 -0.699 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NCC(=O)[O-] ZINC001598864336 1017455236 /nfs/dbraw/zinc/45/52/36/1017455236.db2.gz GZLVBKZWAFVNIH-RKDXNWHRSA-N -1 0 300.311 -0.717 20 0 DBADRM COC(=O)CN(CCN1CCOCC1)c1cncc(C(=O)[O-])n1 ZINC001598863019 1017455853 /nfs/dbraw/zinc/45/58/53/1017455853.db2.gz OBFVFTFIQFNFNX-UHFFFAOYSA-N -1 0 324.337 -0.514 20 0 DBADRM COC(=O)CNC(=O)CNC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001598864098 1017456098 /nfs/dbraw/zinc/45/60/98/1017456098.db2.gz ALIIXKFOIBYAGT-UHFFFAOYSA-N -1 0 324.293 -0.881 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cc1nc(Br)nn1C ZINC001598862426 1017456279 /nfs/dbraw/zinc/45/62/79/1017456279.db2.gz GYYHIQOXFROOAJ-UHFFFAOYSA-N -1 0 321.131 -0.363 20 0 DBADRM COC(=O)CN1CCN(C(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC001598863982 1017456340 /nfs/dbraw/zinc/45/63/40/1017456340.db2.gz UBFOOCDRXUSJHR-UHFFFAOYSA-N -1 0 307.306 -0.289 20 0 DBADRM COC(=O)COCC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001598864398 1017456418 /nfs/dbraw/zinc/45/64/18/1017456418.db2.gz HTLKCDMSRMOHSR-UHFFFAOYSA-N -1 0 314.294 -0.602 20 0 DBADRM COC(=O)COCCNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001598866127 1017459031 /nfs/dbraw/zinc/45/90/31/1017459031.db2.gz PQEHBJSPOCZQIG-IUCAKERBSA-N -1 0 304.299 -0.941 20 0 DBADRM COC(=O)COCC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598865205 1017459173 /nfs/dbraw/zinc/45/91/73/1017459173.db2.gz VKGPPZCUZQXGCN-GFCCVEGCSA-N -1 0 300.267 -0.992 20 0 DBADRM COC(=O)COCCNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001598864824 1017459231 /nfs/dbraw/zinc/45/92/31/1017459231.db2.gz CHAUWJUVQIFVBD-BDAKNGLRSA-N -1 0 309.340 -0.651 20 0 DBADRM COC(=O)N(C)CCNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001598877560 1017460443 /nfs/dbraw/zinc/46/04/43/1017460443.db2.gz MOHXAOWHSYXMNZ-UHFFFAOYSA-N -1 0 308.356 -0.141 20 0 DBADRM COC(=O)N1CC(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])C1 ZINC001598876081 1017460516 /nfs/dbraw/zinc/46/05/16/1017460516.db2.gz QUKNGERPEKGAPX-SECBINFHSA-N -1 0 313.310 -0.981 20 0 DBADRM COC(=O)N(C)CCCC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001598877249 1017461039 /nfs/dbraw/zinc/46/10/39/1017461039.db2.gz YEIGYCPHQRSNJQ-NXEZZACHSA-N -1 0 302.327 -0.241 20 0 DBADRM COC(=O)Cn1ccc(NC(=O)NC[C@@H](O)CC(=O)[O-])n1 ZINC001598874877 1017461659 /nfs/dbraw/zinc/46/16/59/1017461659.db2.gz DTWJOLYUBZFNSK-ZETCQYMHSA-N -1 0 300.271 -0.987 20 0 DBADRM COC(=O)C[C@@H](OC(=O)c1ccc(C(=O)OC)n1C)C(=O)[O-] ZINC001598872142 1017461761 /nfs/dbraw/zinc/46/17/61/1017461761.db2.gz UZISSCXEQOKUFS-SECBINFHSA-N -1 0 313.262 -0.015 20 0 DBADRM COC(=O)N(C)CCNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001598877877 1017461772 /nfs/dbraw/zinc/46/17/72/1017461772.db2.gz YTFYUMNQPWDCLI-RKDXNWHRSA-N -1 0 303.315 -0.838 20 0 DBADRM COC(=O)NC1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC001598882280 1017462674 /nfs/dbraw/zinc/46/26/74/1017462674.db2.gz VOTHQLQJVUCIGZ-MRVPVSSYSA-N -1 0 308.356 -0.143 20 0 DBADRM COC(=O)N1CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC001598882003 1017463001 /nfs/dbraw/zinc/46/30/01/1017463001.db2.gz NIACXYRGDNOLJP-NSHDSACASA-N -1 0 315.370 -0.014 20 0 DBADRM COC(=O)NCC(=O)NC1(C(=O)[O-])CCC(C(=O)OC)CC1 ZINC001598882692 1017463283 /nfs/dbraw/zinc/46/32/83/1017463283.db2.gz FDJKAZSGLRTRCT-UHFFFAOYSA-N -1 0 316.310 -0.355 20 0 DBADRM COC(=O)NC1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC001598881855 1017463435 /nfs/dbraw/zinc/46/34/35/1017463435.db2.gz KKOKWMINCAIHPE-VHSXEESVSA-N -1 0 300.311 -0.034 20 0 DBADRM COC(=O)NCCC(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001598882943 1017463829 /nfs/dbraw/zinc/46/38/29/1017463829.db2.gz CVJAVLWSNPFIRQ-SECBINFHSA-N -1 0 316.310 -0.259 20 0 DBADRM COC(=O)N1CCC(C[NH2+]Cc2cn(CC(=O)[O-])nn2)CC1 ZINC001598878620 1017463893 /nfs/dbraw/zinc/46/38/93/1017463893.db2.gz YVJNIDLSKQXFNH-UHFFFAOYSA-N -1 0 311.342 -0.069 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001598891112 1017466695 /nfs/dbraw/zinc/46/66/95/1017466695.db2.gz DLOVGOOWYJBUSH-KKZNHRDASA-N -1 0 303.311 -0.440 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)C1 ZINC001598896401 1017467761 /nfs/dbraw/zinc/46/77/61/1017467761.db2.gz DHEKNWCDNBPCNS-VDDIYKPWSA-N -1 0 321.351 -0.509 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc(C(N)=O)nc1 ZINC001598891913 1017468434 /nfs/dbraw/zinc/46/84/34/1017468434.db2.gz DREMWTAPKAKILW-SECBINFHSA-N -1 0 309.278 -0.683 20 0 DBADRM COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)c1cc(C(=O)[O-])on1 ZINC001598894944 1017468909 /nfs/dbraw/zinc/46/89/09/1017468909.db2.gz ZAYOHHBRGRWYBG-MRVPVSSYSA-N -1 0 308.250 -0.390 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cnc(N(C)C)cn1 ZINC001598894188 1017469103 /nfs/dbraw/zinc/46/91/03/1017469103.db2.gz ZNIBPBSGKTWXSA-MRVPVSSYSA-N -1 0 310.310 -0.321 20 0 DBADRM COC(=O)[C@@H](NC(=O)CN1CC[NH+](CC(=O)[O-])CC1)C(C)C ZINC001598894745 1017469254 /nfs/dbraw/zinc/46/92/54/1017469254.db2.gz PJMSVTUPNYDZRB-ZDUSSCGKSA-N -1 0 315.370 -0.998 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H](C)N1CCN(C)CC1 ZINC001598891315 1017469274 /nfs/dbraw/zinc/46/92/74/1017469274.db2.gz HGFYTSIFTWHJIL-GHMZBOCLSA-N -1 0 315.370 -0.855 20 0 DBADRM CCn1ccc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)n1 ZINC001497693138 1017469588 /nfs/dbraw/zinc/46/95/88/1017469588.db2.gz UFMVZWVGQPZXIK-ONEGZZNKSA-N -1 0 305.342 -0.198 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)O1 ZINC001598897686 1017470433 /nfs/dbraw/zinc/47/04/33/1017470433.db2.gz JRAUMXZQGVBNLF-MMWGEVLESA-N -1 0 315.322 -0.440 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1 ZINC001497699332 1017470963 /nfs/dbraw/zinc/47/09/63/1017470963.db2.gz WANQPVJFSFXXSB-SNAWJCMRSA-N -1 0 324.385 -0.565 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001598899843 1017471253 /nfs/dbraw/zinc/47/12/53/1017471253.db2.gz FXDMOPLJXBZRNR-ZYUZMQFOSA-N -1 0 310.306 -0.077 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@]2(C(=O)[O-])CCSC2)O1 ZINC001598898332 1017472476 /nfs/dbraw/zinc/47/24/76/1017472476.db2.gz SJJSSPVLMRPYGL-LWINAJNOSA-N -1 0 303.336 -0.217 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)NC[C@@]2(C(=O)[O-])CCOC2)C[C@H]1C ZINC001598901467 1017471700 /nfs/dbraw/zinc/47/17/00/1017471700.db2.gz JMGFFFQBACLABX-ZSJJWGNYSA-N -1 0 315.322 -0.440 20 0 DBADRM COC(=O)[C@@H]1C[C@H](NC(=O)Cn2ccc(C(=O)[O-])n2)[C@H]2C[C@H]21 ZINC001598899877 1017472171 /nfs/dbraw/zinc/47/21/71/1017472171.db2.gz DPHUCGPJLTUBIS-LOKLDPHHSA-N -1 0 307.306 -0.105 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)NC[C@]2(C(=O)[O-])CCOC2)C[C@H]1C ZINC001598901464 1017472210 /nfs/dbraw/zinc/47/22/10/1017472210.db2.gz JMGFFFQBACLABX-NZHONMPCSA-N -1 0 315.322 -0.440 20 0 DBADRM COC(=O)[C@H]1OCC[C@H]1CNC(=S)NCCCC(=O)[O-] ZINC001598909169 1017474045 /nfs/dbraw/zinc/47/40/45/1017474045.db2.gz SPBKYEJGOXSDER-WPRPVWTQSA-N -1 0 304.368 -0.107 20 0 DBADRM COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001598903704 1017474058 /nfs/dbraw/zinc/47/40/58/1017474058.db2.gz NUYXIJKHFMNKEP-LPEHRKFASA-N -1 0 311.294 -0.758 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNS(=O)(=O)C[C@@H](C)C(=O)[O-])C1(F)F ZINC001598902331 1017474785 /nfs/dbraw/zinc/47/47/85/1017474785.db2.gz RZHCVFPBWXEDFV-VQVTYTSYSA-N -1 0 315.294 -0.319 20 0 DBADRM COC(=O)[C@H]1CN([C@H]2CCN(CCC(=O)[O-])C2=O)C[C@@H](C)O1 ZINC001598905387 1017474834 /nfs/dbraw/zinc/47/48/34/1017474834.db2.gz POCDRGLMRMDPOF-OUAUKWLOSA-N -1 0 314.338 -0.676 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])C1 ZINC001598905326 1017474880 /nfs/dbraw/zinc/47/48/80/1017474880.db2.gz DSPBPUUENPMSJG-GUBZILKMSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)[C@@]1(NC(=O)c2ccc(OCC(=O)[O-])cc2)C[C@H](O)C1 ZINC001598908477 1017474889 /nfs/dbraw/zinc/47/48/89/1017474889.db2.gz SCKWRHFBNDRTBV-AVCCJPFPSA-N -1 0 323.301 -0.054 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598903743 1017475044 /nfs/dbraw/zinc/47/50/44/1017475044.db2.gz WVRIREKRCYDHAK-XSPKLOCKSA-N -1 0 315.326 -0.785 20 0 DBADRM COC(=O)[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])C1 ZINC001598905328 1017475127 /nfs/dbraw/zinc/47/51/27/1017475127.db2.gz DSPBPUUENPMSJG-OPRDCNLKSA-N -1 0 312.322 -0.480 20 0 DBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001598904032 1017475158 /nfs/dbraw/zinc/47/51/58/1017475158.db2.gz YOOSKZXRFIBBAJ-QMMMGPOBSA-N -1 0 317.319 -0.495 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])nn1CN1CC(=O)N(C)[C@H](C)C1 ZINC001598925668 1017476391 /nfs/dbraw/zinc/47/63/91/1017476391.db2.gz VLZBTQZHUUQXJA-MRVPVSSYSA-N -1 0 310.310 -0.512 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)n(C)n1 ZINC001598920042 1017477131 /nfs/dbraw/zinc/47/71/31/1017477131.db2.gz QAFSJRPZUFBXBW-CYBMUJFWSA-N -1 0 311.294 -0.430 20 0 DBADRM COC(=O)c1ccc(=O)n(CC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001598956211 1017479713 /nfs/dbraw/zinc/47/97/13/1017479713.db2.gz COZPZFNSQGDSNA-UHFFFAOYSA-N -1 0 322.317 -0.042 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])oc1C ZINC001598952898 1017480211 /nfs/dbraw/zinc/48/02/11/1017480211.db2.gz BDGIXHPKKIAYQN-SSDOTTSWSA-N -1 0 321.307 -0.511 20 0 DBADRM COC(=O)c1ccc(C(=O)NC2(C(=O)[O-])CC(CO)C2)nc1 ZINC001598959036 1017480624 /nfs/dbraw/zinc/48/06/24/1017480624.db2.gz JNTTZBYUZDFCAC-UHFFFAOYSA-N -1 0 308.290 -0.176 20 0 DBADRM COC(=O)c1ccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)n1C ZINC001598957641 1017480921 /nfs/dbraw/zinc/48/09/21/1017480921.db2.gz KDQDCRFPCIBCOR-BDAKNGLRSA-N -1 0 310.306 -0.281 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])c(C)o1 ZINC001598954053 1017480991 /nfs/dbraw/zinc/48/09/91/1017480991.db2.gz WHBVTZAWXAUEKP-SSDOTTSWSA-N -1 0 321.307 -0.511 20 0 DBADRM COC(=O)c1ccc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])cn1 ZINC001598959168 1017481031 /nfs/dbraw/zinc/48/10/31/1017481031.db2.gz OWTDWXHSHQQURO-JTQLQIEISA-N -1 0 324.289 -0.186 20 0 DBADRM COC(=O)c1ccc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n1C ZINC001598957644 1017481258 /nfs/dbraw/zinc/48/12/58/1017481258.db2.gz KDQDCRFPCIBCOR-RKDXNWHRSA-N -1 0 310.306 -0.281 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cn1 ZINC001598957492 1017481338 /nfs/dbraw/zinc/48/13/38/1017481338.db2.gz IJZJNWJBOCZLPV-SNVBAGLBSA-N -1 0 321.289 -0.717 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n1C ZINC001598957598 1017481609 /nfs/dbraw/zinc/48/16/09/1017481609.db2.gz IMIQURQUGBTFMX-SNVBAGLBSA-N -1 0 323.305 -0.773 20 0 DBADRM Cc1conc1CNCC=CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001497734328 1017483109 /nfs/dbraw/zinc/48/31/09/1017483109.db2.gz JEESBRSWNBLXKY-NSCUHMNNSA-N -1 0 322.325 -0.552 20 0 DBADRM COC(=O)c1cccc(NC(=O)CN2C[C@@H](O)C[C@H]2C(=O)[O-])n1 ZINC001598999801 1017483784 /nfs/dbraw/zinc/48/37/84/1017483784.db2.gz NKCPULHAGYNADC-WPRPVWTQSA-N -1 0 323.305 -0.674 20 0 DBADRM COC(=O)c1ccc(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)nn1 ZINC001598979328 1017484274 /nfs/dbraw/zinc/48/42/74/1017484274.db2.gz HQDUFPCFOAGLBM-HTQZYQBOSA-N -1 0 324.293 -0.438 20 0 DBADRM COC(=O)c1ccc(CC(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001598972535 1017484408 /nfs/dbraw/zinc/48/44/08/1017484408.db2.gz CYIIQSFAUZQYDV-WCQYABFASA-N -1 0 322.317 -0.153 20 0 DBADRM COC(=O)c1ccc(C(=O)OCC(=O)NCCC(=O)[O-])n1C ZINC001598968277 1017484416 /nfs/dbraw/zinc/48/44/16/1017484416.db2.gz SAURSWFWFSDJTE-UHFFFAOYSA-N -1 0 312.278 -0.441 20 0 DBADRM COC(=O)c1cccc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])n1 ZINC001598991417 1017484739 /nfs/dbraw/zinc/48/47/39/1017484739.db2.gz LHBVWQBAMVBVFT-WDEREUQCSA-N -1 0 308.290 -0.082 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CCC(O)(C(=O)[O-])CC2)cn1 ZINC001599007904 1017485990 /nfs/dbraw/zinc/48/59/90/1017485990.db2.gz PXBRMWLJGUHVQR-UHFFFAOYSA-N -1 0 309.278 -0.685 20 0 DBADRM COC(=O)c1cn([C@H]2CCN(C(=O)[C@H]3C[C@@H](C(=O)[O-])C3)C2)nn1 ZINC001599005768 1017486200 /nfs/dbraw/zinc/48/62/00/1017486200.db2.gz FPVIBYIXJZABRE-AEJSXWLSSA-N -1 0 322.321 -0.051 20 0 DBADRM COC(=O)c1cnc(C(=O)O[C@H](CC(=O)[O-])C(=O)OC)cn1 ZINC001599007515 1017486720 /nfs/dbraw/zinc/48/67/20/1017486720.db2.gz JKURBMHMLURFMX-MRVPVSSYSA-N -1 0 312.234 -0.564 20 0 DBADRM COC(=O)c1cn(CC(=O)N[C@]2(C(=O)[O-])CCSC2)nn1 ZINC001599008649 1017486948 /nfs/dbraw/zinc/48/69/48/1017486948.db2.gz SBAUQNVKTXCDEQ-LLVKDONJSA-N -1 0 314.323 -0.859 20 0 DBADRM COC(=O)c1cnc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cn1 ZINC001599007735 1017487291 /nfs/dbraw/zinc/48/72/91/1017487291.db2.gz NTSINKFVPMAHAN-QMMMGPOBSA-N -1 0 319.277 -0.588 20 0 DBADRM COC(=O)c1cn(CCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)nn1 ZINC001599008565 1017487708 /nfs/dbraw/zinc/48/77/08/1017487708.db2.gz OKVUOLZNACBOCD-OCAPTIKFSA-N -1 0 311.298 -0.773 20 0 DBADRM COC(=O)c1coc(CNC(=O)NCCOCC(=O)[O-])c1 ZINC001599012169 1017488974 /nfs/dbraw/zinc/48/89/74/1017488974.db2.gz UFJUDGXTNAIPAV-UHFFFAOYSA-N -1 0 300.267 -0.033 20 0 DBADRM Cn1cc(CCC(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cn1 ZINC001497765632 1017489081 /nfs/dbraw/zinc/48/90/81/1017489081.db2.gz SHNLMRVZGRGDDZ-NSCUHMNNSA-N -1 0 319.369 -0.361 20 0 DBADRM COC(=O)c1coc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC001599012093 1017489197 /nfs/dbraw/zinc/48/91/97/1017489197.db2.gz ALDVLGSYANFHIE-QMMMGPOBSA-N -1 0 310.262 -0.519 20 0 DBADRM COC(=O)c1cnc(N2CCC[C@H]2C(=O)NCC(=O)[O-])nc1 ZINC001599009940 1017489221 /nfs/dbraw/zinc/48/92/21/1017489221.db2.gz BCBHCCAUTPATRR-VIFPVBQESA-N -1 0 308.294 -0.567 20 0 DBADRM CO[C@H](C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)c1cnn(C)c1 ZINC001599024323 1017489279 /nfs/dbraw/zinc/48/92/79/1017489279.db2.gz FOHHZQAVLVACHR-NEPJUHHUSA-N -1 0 311.338 -0.208 20 0 DBADRM CO[C@H](C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1CCC1 ZINC001599025147 1017489444 /nfs/dbraw/zinc/48/94/44/1017489444.db2.gz JEYZLGXORMMYMW-JTQLQIEISA-N -1 0 319.379 -0.050 20 0 DBADRM COC(=O)c1coc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c1 ZINC001599012213 1017489686 /nfs/dbraw/zinc/48/96/86/1017489686.db2.gz CEFYWXATVNARMB-QMMMGPOBSA-N -1 0 310.262 -0.566 20 0 DBADRM CO[C@H](C(=O)Nc1n[nH]c(CC(=O)[O-])n1)C(=O)OC(C)(C)C ZINC001599027647 1017490612 /nfs/dbraw/zinc/49/06/12/1017490612.db2.gz XLHHNKHKZUHAGL-MRVPVSSYSA-N -1 0 314.298 -0.273 20 0 DBADRM COC(=O)c1cncc(S(=O)(=O)N2CC[C@@H]2C(=O)[O-])c1 ZINC001599011551 1017490930 /nfs/dbraw/zinc/49/09/30/1017490930.db2.gz ZHSXKPYTFPXPGI-SECBINFHSA-N -1 0 300.292 -0.284 20 0 DBADRM CO[C@@H](C(=O)NC[C@H](O)CNc1ncc(C(=O)[O-])cn1)C1CC1 ZINC001599028016 1017492222 /nfs/dbraw/zinc/49/22/22/1017492222.db2.gz HRYDJBONVFKHKP-WDEREUQCSA-N -1 0 324.337 -0.511 20 0 DBADRM CO[C@H](C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O)[C@H]1CCOC1 ZINC001599028954 1017492484 /nfs/dbraw/zinc/49/24/84/1017492484.db2.gz HEQORKYUPAZWLP-NHCYSSNCSA-N -1 0 315.322 -0.343 20 0 DBADRM COC(C)(C)[C@H](C)NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599031118 1017493256 /nfs/dbraw/zinc/49/32/56/1017493256.db2.gz IJVYMBMHLLGTEO-VHSXEESVSA-N -1 0 316.354 -0.382 20 0 DBADRM COC(C)(C)CNC(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001599032911 1017493301 /nfs/dbraw/zinc/49/33/01/1017493301.db2.gz JZZMNKROFPISTR-ZDUSSCGKSA-N -1 0 302.327 -0.770 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)C[C@H]1CCC(=O)N1C)OC ZINC001599046494 1017494354 /nfs/dbraw/zinc/49/43/54/1017494354.db2.gz IHAJVRQHVHPUIF-SNVBAGLBSA-N -1 0 316.354 -0.081 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)CN1CCOC1=O)OC ZINC001599045697 1017494409 /nfs/dbraw/zinc/49/44/09/1017494409.db2.gz RJZUPAUGZSUBIJ-UHFFFAOYSA-N -1 0 304.299 -0.639 20 0 DBADRM CO[C@@H](C)C(=O)N1CC[C@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001599036492 1017495717 /nfs/dbraw/zinc/49/57/17/1017495717.db2.gz QQZTUNOQPBCZMF-VHSXEESVSA-N -1 0 308.338 -0.108 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)c1cc(=O)n(C)cn1)OC ZINC001599045605 1017495840 /nfs/dbraw/zinc/49/58/40/1017495840.db2.gz PEZRVMVQHVZAJO-UHFFFAOYSA-N -1 0 313.310 -0.684 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)C[C@@H](C)NC(N)=O)OC ZINC001599046416 1017496269 /nfs/dbraw/zinc/49/62/69/1017496269.db2.gz GJCKTLJDSPQTIB-MRVPVSSYSA-N -1 0 305.331 -0.645 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)[C@@H]1CCCC(=O)N1C)OC ZINC001599047026 1017496291 /nfs/dbraw/zinc/49/62/91/1017496291.db2.gz RENUVFTZCIDBLH-JTQLQIEISA-N -1 0 316.354 -0.081 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)c1cc(C(N)=O)c[nH]1)OC ZINC001599045367 1017496331 /nfs/dbraw/zinc/49/63/31/1017496331.db2.gz JYIPJABRYHWICL-UHFFFAOYSA-N -1 0 313.310 -0.351 20 0 DBADRM CO[C@H](CNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001599050953 1017497932 /nfs/dbraw/zinc/49/79/32/1017497932.db2.gz DIEIQFJWXYSISH-YFKTTZPYSA-N -1 0 316.354 -0.079 20 0 DBADRM COC(OC)C(=O)N1CCN(c2nc(C)cc(C(=O)[O-])n2)CC1 ZINC001599058230 1017500712 /nfs/dbraw/zinc/50/07/12/1017500712.db2.gz HQLWEKOOPAWHDW-UHFFFAOYSA-N -1 0 324.337 -0.249 20 0 DBADRM COC(OC)C(=O)N1CCN(c2nccnc2C(=O)[O-])CC1 ZINC001599060417 1017500795 /nfs/dbraw/zinc/50/07/95/1017500795.db2.gz QVWFTTGVBQXNNO-UHFFFAOYSA-N -1 0 310.310 -0.558 20 0 DBADRM CO[C@@H](CS(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])C(C)C ZINC001599057704 1017500925 /nfs/dbraw/zinc/50/09/25/1017500925.db2.gz IRWFJXRWGWSEMN-UWVGGRQHSA-N -1 0 322.383 -0.738 20 0 DBADRM COC1(C(=O)N2CCSC[C@H](C(=O)[O-])C2)CS(=O)(=O)C1 ZINC001599061845 1017501009 /nfs/dbraw/zinc/50/10/09/1017501009.db2.gz FWSFLEGNWWWEFC-MRVPVSSYSA-N -1 0 323.392 -0.924 20 0 DBADRM CO[C@@H](Cc1ccccc1)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001599059336 1017501338 /nfs/dbraw/zinc/50/13/38/1017501338.db2.gz SGSTVSVPADHCAC-OLZOCXBDSA-N -1 0 320.345 -0.002 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCCSC)C1 ZINC001599066366 1017502312 /nfs/dbraw/zinc/50/23/12/1017502312.db2.gz CKVIRCGBDHOJDA-LBPRGKRZSA-N -1 0 304.368 -0.442 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 ZINC001599065780 1017502447 /nfs/dbraw/zinc/50/24/47/1017502447.db2.gz MYXQHQWELGYREV-OQPBUACISA-N -1 0 301.343 -0.229 20 0 DBADRM CO[C@@]1(C(=O)NCCC(C)(C)C(=O)[O-])CCS(=O)(=O)C1 ZINC001599064898 1017502820 /nfs/dbraw/zinc/50/28/20/1017502820.db2.gz MRJUMMHRCGMLGC-LBPRGKRZSA-N -1 0 307.368 -0.193 20 0 DBADRM COC1(C(=O)NCC(=O)NCC(=O)[O-])CCC(F)(F)CC1 ZINC001599064569 1017503140 /nfs/dbraw/zinc/50/31/40/1017503140.db2.gz DYLXDUZFLADVKO-UHFFFAOYSA-N -1 0 308.281 -0.102 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](C)CC2)C1 ZINC001599065524 1017503274 /nfs/dbraw/zinc/50/32/74/1017503274.db2.gz HHJJSJGSHAXPBG-YGRLFVJLSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@](C)(O)C2)C1 ZINC001599065867 1017503391 /nfs/dbraw/zinc/50/33/91/1017503391.db2.gz JIFGCBMRJWMKFV-KBPBESRZSA-N -1 0 314.338 -0.938 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC2CC(F)(F)C2)C1 ZINC001599065401 1017503411 /nfs/dbraw/zinc/50/34/11/1017503411.db2.gz GMMVVLTZJVLMFO-LLVKDONJSA-N -1 0 306.265 -0.398 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(Cn2nc(CO)n(C)c2=S)C1 ZINC001599078251 1017510043 /nfs/dbraw/zinc/51/00/43/1017510043.db2.gz FWGUDKDWVCPUCG-NSHDSACASA-N -1 0 302.356 -0.424 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(F)cn2)C1 ZINC001599068668 1017504284 /nfs/dbraw/zinc/50/42/84/1017504284.db2.gz LDCNXRBHVMSIFK-CYBMUJFWSA-N -1 0 311.269 -0.139 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H](C)c2ccccn2)C1 ZINC001599067359 1017504620 /nfs/dbraw/zinc/50/46/20/1017504620.db2.gz SIUJRKXGQURHFY-ZUZCIYMTSA-N -1 0 321.333 -0.039 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001599068139 1017505354 /nfs/dbraw/zinc/50/53/54/1017505354.db2.gz KQPHWAZTLGJGFH-GXFFZTMASA-N -1 0 319.379 -0.097 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CC2SC(=N)NC2=O)C1 ZINC001599067430 1017505484 /nfs/dbraw/zinc/50/54/84/1017505484.db2.gz AHIVQBLMJXFDGW-KGFZYKRKSA-N -1 0 301.324 -0.755 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC2(C3CC3)CC2)C1 ZINC001599067903 1017505668 /nfs/dbraw/zinc/50/56/68/1017505668.db2.gz VDYRPNNXBJUNCX-OAHLLOKOSA-N -1 0 310.350 -0.005 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CN(C)CC(=O)NC(C)C)C1 ZINC001599068091 1017505915 /nfs/dbraw/zinc/50/59/15/1017505915.db2.gz JWGGAJVUSXCVAV-CQSZACIVSA-N -1 0 315.370 -0.855 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001599069317 1017506743 /nfs/dbraw/zinc/50/67/43/1017506743.db2.gz FIHVMGMCTKQGFE-AWEZNQCLSA-N -1 0 309.322 -0.438 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001599073872 1017506763 /nfs/dbraw/zinc/50/67/63/1017506763.db2.gz UPKJNUSEXINMCZ-CYBMUJFWSA-N -1 0 318.293 -0.627 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCc2ccc(C)o2)C1 ZINC001599070413 1017506957 /nfs/dbraw/zinc/50/69/57/1017506957.db2.gz ULUOKDSIVXXUHI-HNNXBMFYSA-N -1 0 324.333 -0.051 20 0 DBADRM COC1(C(=O)OCCc2cn(CC(=O)[O-])nn2)CCOCC1 ZINC001599081546 1017508691 /nfs/dbraw/zinc/50/86/91/1017508691.db2.gz OCMNGYSJHBDRQX-UHFFFAOYSA-N -1 0 313.310 -0.356 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(N)c(C)c2)C1 ZINC001599079063 1017508835 /nfs/dbraw/zinc/50/88/35/1017508835.db2.gz NUHGYCJDVSHQJM-GFCCVEGCSA-N -1 0 315.351 -0.164 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2CCOC2CCC2)C1 ZINC001599080048 1017510534 /nfs/dbraw/zinc/51/05/34/1017510534.db2.gz FTJPDUFQILGZEV-CYBMUJFWSA-N -1 0 311.342 -0.078 20 0 DBADRM CO[C@]1(CNC(=O)c2c[nH]c(C(=O)[O-])c2)CCS(=O)(=O)C1 ZINC001599091626 1017511969 /nfs/dbraw/zinc/51/19/69/1017511969.db2.gz ZNWFHUAFIUHBBO-LBPRGKRZSA-N -1 0 316.335 -0.354 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(c2nnnn2C[C@H]2CCCCO2)C1 ZINC001599082413 1017512591 /nfs/dbraw/zinc/51/25/91/1017512591.db2.gz YPBINQQHMYHZAN-MFKMUULPSA-N -1 0 311.342 -0.078 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)C2(NC(N)=O)CC2)C(=O)[O-])C1 ZINC001599106558 1017514990 /nfs/dbraw/zinc/51/49/90/1017514990.db2.gz RDYTXKCYRWFASB-AEJSXWLSSA-N -1 0 313.354 -0.038 20 0 DBADRM COC1(OC)CCOC[C@@H]1NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001599096563 1017515315 /nfs/dbraw/zinc/51/53/15/1017515315.db2.gz YPYNENYPPBUWNH-CHWFTXMASA-N -1 0 317.338 -0.241 20 0 DBADRM COC1(OC)CCN(C(=O)c2cc(C(=O)[O-])on2)C[C@H]1O ZINC001599094930 1017515377 /nfs/dbraw/zinc/51/53/77/1017515377.db2.gz NOMAHEIPYYBKKT-SECBINFHSA-N -1 0 300.267 -0.431 20 0 DBADRM CO[C@H]1CC[C@@H](NC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001599101626 1017515494 /nfs/dbraw/zinc/51/54/94/1017515494.db2.gz BMMASDWVRJKWDJ-SFYZADRCSA-N -1 0 310.310 -0.260 20 0 DBADRM CO[C@H]1C[C@@H](NC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1(C)C ZINC001599095245 1017515989 /nfs/dbraw/zinc/51/59/89/1017515989.db2.gz HAZHLEDXEBNXBK-BDAKNGLRSA-N -1 0 324.337 -0.014 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)[C@@H](O)C(C)(C)O)C(=O)[O-])C1 ZINC001599106530 1017516017 /nfs/dbraw/zinc/51/60/17/1017516017.db2.gz QZRRUFBYJHYMST-LNFKQOIKSA-N -1 0 303.355 -0.107 20 0 DBADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)Cn2cnc(N)n2)C(=O)[O-])C1 ZINC001599106553 1017516276 /nfs/dbraw/zinc/51/62/76/1017516276.db2.gz HUGDTOJCTNASEJ-NGZCFLSTSA-N -1 0 311.342 -0.365 20 0 DBADRM COC1(OC)CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C[C@@H]1O ZINC001599094977 1017516474 /nfs/dbraw/zinc/51/64/74/1017516474.db2.gz NUYWGEZWKMQWNS-CHWFTXMASA-N -1 0 317.338 -0.553 20 0 DBADRM CO[C@H]1CCN(C(=O)c2nc3ncccn3n2)[C@@H](C(=O)[O-])C1 ZINC001599120524 1017518176 /nfs/dbraw/zinc/51/81/76/1017518176.db2.gz BBQJRVAVZDIWIM-DTWKUNHWSA-N -1 0 305.294 -0.172 20 0 DBADRM CO[C@@H]1CCN(C(=O)CCN2CCOC2=O)[C@@H](C(=O)[O-])C1 ZINC001599120757 1017518205 /nfs/dbraw/zinc/51/82/05/1017518205.db2.gz XMFKQDMOYDFJOR-NXEZZACHSA-N -1 0 300.311 -0.081 20 0 DBADRM CO[C@@H]1CCN(C(=O)[C@H]2CCN=C3C2=NNN3C)[C@H](C(=O)[O-])C1 ZINC001599120493 1017518377 /nfs/dbraw/zinc/51/83/77/1017518377.db2.gz ROYXJDQDZIFDDD-UTLUCORTSA-N -1 0 323.353 -0.699 20 0 DBADRM CO[C@@H]1CCN(CC(=O)N2CCO[C@H](C)C2)[C@@H](C(=O)[O-])C1 ZINC001599121556 1017518733 /nfs/dbraw/zinc/51/87/33/1017518733.db2.gz BZNUNMJJVQCYDR-IJLUTSLNSA-N -1 0 300.355 -0.202 20 0 DBADRM CO[C@H]1CN(Cc2nnc3c(=O)n(C)ccn23)[C@](C)(C(=O)[O-])C1 ZINC001599130857 1017521424 /nfs/dbraw/zinc/52/14/24/1017521424.db2.gz AIFCNOKTGJNASQ-OTYXRUKQSA-N -1 0 321.337 -0.508 20 0 DBADRM CO[C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)[C@](C)(C(=O)[O-])C1 ZINC001599132445 1017521570 /nfs/dbraw/zinc/52/15/70/1017521570.db2.gz XVWDVARBBJRVKY-KWBADKCTSA-N -1 0 319.379 -0.098 20 0 DBADRM CO[C@H]1CCn2cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)nc2C1 ZINC001599128113 1017521907 /nfs/dbraw/zinc/52/19/07/1017521907.db2.gz QZNOYMGWRKQBQJ-ONGXEEELSA-N -1 0 309.322 -0.230 20 0 DBADRM CO[C@@H]1CN(c2nnnn2C[C@@H]2CCOC2)[C@](C)(C(=O)[O-])C1 ZINC001599136365 1017523189 /nfs/dbraw/zinc/52/31/89/1017523189.db2.gz FSVDYHKXYHLAQA-KWBADKCTSA-N -1 0 311.342 -0.222 20 0 DBADRM COCC(=O)N1CCCC2(CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)C1 ZINC001599139598 1017525398 /nfs/dbraw/zinc/52/53/98/1017525398.db2.gz MXOGWWVVDDVOKN-WDEREUQCSA-N -1 0 310.350 -0.196 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001599137872 1017526060 /nfs/dbraw/zinc/52/60/60/1017526060.db2.gz IMZBQJIGQKCNQH-LSCVPOLPSA-N -1 0 301.339 -0.136 20 0 DBADRM CO[C@H]1COCC[C@@H]1CNS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001599137635 1017526176 /nfs/dbraw/zinc/52/61/76/1017526176.db2.gz HIHUMANKPPNIRU-ZJUUUORDSA-N -1 0 307.368 -0.178 20 0 DBADRM COCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599138839 1017526397 /nfs/dbraw/zinc/52/63/97/1017526397.db2.gz CMLKJNZHQSVEQX-WHOHXGKFSA-N -1 0 310.350 -0.055 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001599138350 1017526424 /nfs/dbraw/zinc/52/64/24/1017526424.db2.gz GYFRTGNBNBCHRS-ZDCRXTMVSA-N -1 0 319.379 -0.194 20 0 DBADRM COCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001599138837 1017526771 /nfs/dbraw/zinc/52/67/71/1017526771.db2.gz CMLKJNZHQSVEQX-USZNOCQGSA-N -1 0 310.350 -0.055 20 0 DBADRM COCC(=O)N1C[C@H](C)[C@H](CNc2ccnc(C(=O)[O-])n2)C1 ZINC001599139272 1017526777 /nfs/dbraw/zinc/52/67/77/1017526777.db2.gz JIJKTCZFDWHNLJ-VHSXEESVSA-N -1 0 308.338 -0.251 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=S)NCCCC(=O)[O-] ZINC001599141211 1017527561 /nfs/dbraw/zinc/52/75/61/1017527561.db2.gz TYQANJMYHGELID-JGVFFNPUSA-N -1 0 310.397 -0.873 20 0 DBADRM COCC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001599142247 1017527905 /nfs/dbraw/zinc/52/79/05/1017527905.db2.gz AZWPKIYKFZVGCT-NBBOBHDQSA-N -1 0 305.352 -0.440 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001599140816 1017527932 /nfs/dbraw/zinc/52/79/32/1017527932.db2.gz FOXHOSFXLHMZOQ-CYBMUJFWSA-N -1 0 302.327 -0.769 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(C(=O)[O-])oc1C ZINC001599142137 1017527982 /nfs/dbraw/zinc/52/79/82/1017527982.db2.gz YMTMZUGJEMYFAO-WCBMZHEXSA-N -1 0 317.319 -0.172 20 0 DBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(C(=O)[O-])oc1C ZINC001599142138 1017528367 /nfs/dbraw/zinc/52/83/67/1017528367.db2.gz YMTMZUGJEMYFAO-WPRPVWTQSA-N -1 0 317.319 -0.172 20 0 DBADRM COCC(=O)N(C)CC(=O)N(C)[C@@H](COC(C)C)C(=O)[O-] ZINC001599140846 1017528751 /nfs/dbraw/zinc/52/87/51/1017528751.db2.gz FZBBHVRZLPCCKS-JTQLQIEISA-N -1 0 304.343 -0.572 20 0 DBADRM COCC(=O)N(C)CC(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC001599141122 1017529229 /nfs/dbraw/zinc/52/92/29/1017529229.db2.gz JFYYJKBDLXBKHR-UHFFFAOYSA-N -1 0 324.333 -0.129 20 0 DBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@@]1(F)CCS(=O)(=O)C1 ZINC001599145767 1017529808 /nfs/dbraw/zinc/52/98/08/1017529808.db2.gz IWHNDFSAOUHCRX-WDEREUQCSA-N -1 0 311.331 -0.491 20 0 DBADRM COC/C(C)=C/C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001599155800 1017531886 /nfs/dbraw/zinc/53/18/86/1017531886.db2.gz NPDDKDRQFQNZHT-CYNRKNSPSA-N -1 0 305.352 -0.321 20 0 DBADRM COC[C@](C)(O)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001599156146 1017532039 /nfs/dbraw/zinc/53/20/39/1017532039.db2.gz ADWZXLAGWOMYJH-LBPRGKRZSA-N -1 0 300.311 -0.394 20 0 DBADRM COC[C@](C)(NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-] ZINC001599155160 1017532099 /nfs/dbraw/zinc/53/20/99/1017532099.db2.gz LRVCSIIXTWQECX-LBPRGKRZSA-N -1 0 324.399 -0.882 20 0 DBADRM COC[C@@](C)(NC(=O)CCCCCS(N)(=O)=O)C(=O)[O-] ZINC001599153351 1017532425 /nfs/dbraw/zinc/53/24/25/1017532425.db2.gz QPPYBBXTBMZQSH-LLVKDONJSA-N -1 0 310.372 -0.559 20 0 DBADRM COC[C@@](C)(NCC(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC001599154559 1017532557 /nfs/dbraw/zinc/53/25/57/1017532557.db2.gz NTGUXBPMSPXNNS-CYBMUJFWSA-N -1 0 316.354 -0.569 20 0 DBADRM COC[C@](C)(NC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1)C(=O)[O-] ZINC001599151365 1017533268 /nfs/dbraw/zinc/53/32/68/1017533268.db2.gz MTIWYVSINMJKHG-RISCZKNCSA-N -1 0 324.337 -0.173 20 0 DBADRM COC[C@@](C)(NC(=O)c1cnc2ccc(OC)nn21)C(=O)[O-] ZINC001599153037 1017533332 /nfs/dbraw/zinc/53/33/32/1017533332.db2.gz QUFNQNPIWZKKRS-CYBMUJFWSA-N -1 0 308.294 -0.043 20 0 DBADRM COC[C@](C)(O)CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001599156327 1017534039 /nfs/dbraw/zinc/53/40/39/1017534039.db2.gz HKBPDDYCOLTXGK-LLVKDONJSA-N -1 0 321.355 -0.967 20 0 DBADRM COC[C@@H](C)NC(=O)NC(=O)COC(=O)C1(C(=O)[O-])CC1 ZINC001599162380 1017534269 /nfs/dbraw/zinc/53/42/69/1017534269.db2.gz VPBHNAPHLUHLNZ-SSDOTTSWSA-N -1 0 302.283 -0.745 20 0 DBADRM COC[C@H](C)NC(=O)Cc1noc(-c2cnc(C(=O)[O-])cn2)n1 ZINC001599159465 1017534549 /nfs/dbraw/zinc/53/45/49/1017534549.db2.gz DCYFBFKZXCTOAD-ZETCQYMHSA-N -1 0 321.293 -0.082 20 0 DBADRM COC[C@@H](C)NC(=O)Cc1noc(-c2cnc(C(=O)[O-])cn2)n1 ZINC001599159461 1017534611 /nfs/dbraw/zinc/53/46/11/1017534611.db2.gz DCYFBFKZXCTOAD-SSDOTTSWSA-N -1 0 321.293 -0.082 20 0 DBADRM COC[C@](C)(O)CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001599156740 1017535242 /nfs/dbraw/zinc/53/52/42/1017535242.db2.gz PMPHCOSSZMCGCH-GFCCVEGCSA-N -1 0 324.399 -0.595 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001599156553 1017535505 /nfs/dbraw/zinc/53/55/05/1017535505.db2.gz MHNOIIKFZQRNHV-JFGNBEQYSA-N -1 0 309.384 -0.053 20 0 DBADRM COC[C@](C)(O)CCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001599157310 1017535595 /nfs/dbraw/zinc/53/55/95/1017535595.db2.gz YZSWEFDFOPQQQS-SNVBAGLBSA-N -1 0 324.380 -0.093 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CC(F)(F)C[C@H]1C(=O)[O-] ZINC001599160112 1017535702 /nfs/dbraw/zinc/53/57/02/1017535702.db2.gz GRLXVMUWLFRBCE-YUMQZZPRSA-N -1 0 323.296 -0.359 20 0 DBADRM COC[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1)OC ZINC001599163899 1017536808 /nfs/dbraw/zinc/53/68/08/1017536808.db2.gz XIVQLORDFQARGM-ISTVAULSSA-N -1 0 316.354 -0.667 20 0 DBADRM COCC(COC)N1CCN(c2cncc(C(=O)[O-])n2)CC1 ZINC001599164904 1017536995 /nfs/dbraw/zinc/53/69/95/1017536995.db2.gz QXSOEVGYPYZWMM-UHFFFAOYSA-N -1 0 310.354 -0.042 20 0 DBADRM COCC(COC)N1CCN(c2cc(C(=O)[O-])ncn2)CC1 ZINC001599164160 1017537103 /nfs/dbraw/zinc/53/71/03/1017537103.db2.gz FHRBOBGSWNLSGR-UHFFFAOYSA-N -1 0 310.354 -0.042 20 0 DBADRM COC[C@H](CN1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O)OC ZINC001599163367 1017537283 /nfs/dbraw/zinc/53/72/83/1017537283.db2.gz GWTDRNNIQYTTJC-KXUCPTDWSA-N -1 0 300.311 -0.225 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1)C(=O)[O-] ZINC001599165380 1017537323 /nfs/dbraw/zinc/53/73/23/1017537323.db2.gz CXGMGZRMSLFNGL-GMXVVIOVSA-N -1 0 321.333 -0.183 20 0 DBADRM COC[C@@H](CCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)OC ZINC001599162810 1017537361 /nfs/dbraw/zinc/53/73/61/1017537361.db2.gz KXGRTBIVSUWJLH-GHMZBOCLSA-N -1 0 316.354 -0.523 20 0 DBADRM COC[C@@H](NC(=O)[C@]1(C)Oc2ccccc2NC1=O)C(=O)[O-] ZINC001599165176 1017537553 /nfs/dbraw/zinc/53/75/53/1017537553.db2.gz BLQXGBNXJXGLJF-YMTOWFKASA-N -1 0 308.290 -0.008 20 0 DBADRM COC[C@H](C)NC(=O)NC(=O)CN1CCSC[C@H]1C(=O)[O-] ZINC001599162514 1017537839 /nfs/dbraw/zinc/53/78/39/1017537839.db2.gz YKPYBJATVPSXIW-IUCAKERBSA-N -1 0 319.383 -0.651 20 0 DBADRM COC[C@@H](NC(=O)[C@@H](C)Sc1nnnn1C1CC1)C(=O)[O-] ZINC001599165941 1017539251 /nfs/dbraw/zinc/53/92/51/1017539251.db2.gz HOLZPOWTDWHTDI-HTRCEHHLSA-N -1 0 315.355 -0.296 20 0 DBADRM COC[C@H](CS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1)OC ZINC001599166032 1017539305 /nfs/dbraw/zinc/53/93/05/1017539305.db2.gz KMACMPGPDFWCOF-NXEZZACHSA-N -1 0 311.356 -0.847 20 0 DBADRM COC[C@@H](Cn1nnnc1N1CCO[C@H](C(=O)[O-])C1)C(C)C ZINC001599168538 1017539473 /nfs/dbraw/zinc/53/94/73/1017539473.db2.gz AWBCIBWLOLZCHP-MNOVXSKESA-N -1 0 313.358 -0.119 20 0 DBADRM COC[C@H](CS(=O)(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)OC ZINC001599166103 1017539568 /nfs/dbraw/zinc/53/95/68/1017539568.db2.gz XULVJWROQFFXHM-CSMHCCOUSA-N -1 0 317.310 -0.467 20 0 DBADRM COC[C@@H](NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001599168153 1017539621 /nfs/dbraw/zinc/53/96/21/1017539621.db2.gz SRKOUEJJMHTIAE-DTWKUNHWSA-N -1 0 320.342 -0.522 20 0 DBADRM COC[C@H](CS(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])OC ZINC001599166083 1017539675 /nfs/dbraw/zinc/53/96/75/1017539675.db2.gz KVNIOGCGKOHPSE-HTQZYQBOSA-N -1 0 317.310 -0.228 20 0 DBADRM COC[C@H](NC(=O)[C@@H](C)n1cnc2c1ncnc2N)C(=O)[O-] ZINC001599167985 1017540092 /nfs/dbraw/zinc/54/00/92/1017540092.db2.gz YGYYJCSWQKIHDH-RQJHMYQMSA-N -1 0 308.298 -0.815 20 0 DBADRM COC[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)C(N)=O ZINC001599167344 1017540192 /nfs/dbraw/zinc/54/01/92/1017540192.db2.gz RTWJIEUHRPKKEY-ZETOZRRWSA-N -1 0 306.318 -0.139 20 0 DBADRM COCC(=O)N(C)C[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001497887635 1017540122 /nfs/dbraw/zinc/54/01/22/1017540122.db2.gz NSUXRIFPIWMVPH-SNVBAGLBSA-N -1 0 310.354 -0.009 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC ZINC001599177743 1017544033 /nfs/dbraw/zinc/54/40/33/1017544033.db2.gz RIPOHJPFDAFQON-ZETCQYMHSA-N -1 0 307.280 -0.556 20 0 DBADRM COC[C@@H](CO)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001599165689 1017540282 /nfs/dbraw/zinc/54/02/82/1017540282.db2.gz ITBUGJYVIBPQPA-MRVPVSSYSA-N -1 0 314.269 -0.414 20 0 DBADRM COC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001599166166 1017540529 /nfs/dbraw/zinc/54/05/29/1017540529.db2.gz KGBKEZXEPJBKMG-QMMMGPOBSA-N -1 0 314.269 -0.414 20 0 DBADRM COC[C@@H](NC(=O)c1cc(C)nc2c1c(=O)[nH]n2C)C(=O)[O-] ZINC001599172403 1017542290 /nfs/dbraw/zinc/54/22/90/1017542290.db2.gz YHAHDIYLBSDCTM-MRVPVSSYSA-N -1 0 308.294 -0.188 20 0 DBADRM COC[C@@H](NC(=O)c1c(C)nn(C)c1-n1cccn1)C(=O)[O-] ZINC001599174853 1017542641 /nfs/dbraw/zinc/54/26/41/1017542641.db2.gz UWSMQZSDNCEYLG-SECBINFHSA-N -1 0 307.310 -0.256 20 0 DBADRM COC[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)C(=O)[O-] ZINC001599170239 1017542700 /nfs/dbraw/zinc/54/27/00/1017542700.db2.gz PWRZITLQXSUKHY-JTQLQIEISA-N -1 0 305.290 -0.388 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])C(=O)OC ZINC001599177817 1017543866 /nfs/dbraw/zinc/54/38/66/1017543866.db2.gz GTKHMVAOUAXZAF-SECBINFHSA-N -1 0 317.319 -0.149 20 0 DBADRM COC[C@@H](NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)C(=O)[O-] ZINC001599176920 1017544547 /nfs/dbraw/zinc/54/45/47/1017544547.db2.gz SNIJLAGXNVPVLM-PWSUYJOCSA-N -1 0 306.384 -0.509 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)C(N)=O ZINC001599177291 1017544852 /nfs/dbraw/zinc/54/48/52/1017544852.db2.gz JHMNDIHRYPJKMN-SECBINFHSA-N -1 0 316.335 -0.528 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@@H]1CCCO1 ZINC001599178021 1017545125 /nfs/dbraw/zinc/54/51/25/1017545125.db2.gz UZMIKRHUPNRBLN-BDAKNGLRSA-N -1 0 319.339 -0.420 20 0 DBADRM COC[C@H](OC)C(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001599182670 1017546193 /nfs/dbraw/zinc/54/61/93/1017546193.db2.gz QGBCXNAMEUFMQC-IUCAKERBSA-N -1 0 312.326 -0.825 20 0 DBADRM COC[C@]1(C)CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001599195565 1017550164 /nfs/dbraw/zinc/55/01/64/1017550164.db2.gz SQCPWGBTFCGIKS-UMNHJUIQSA-N -1 0 307.368 -0.083 20 0 DBADRM COC[C@@H](OC)C(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001599182668 1017547035 /nfs/dbraw/zinc/54/70/35/1017547035.db2.gz QGBCXNAMEUFMQC-DTWKUNHWSA-N -1 0 312.326 -0.825 20 0 DBADRM COC[C@H](OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)[O-] ZINC001599180657 1017547063 /nfs/dbraw/zinc/54/70/63/1017547063.db2.gz PPAPHPVJAUAREQ-SDBXPKJASA-N -1 0 314.294 -0.650 20 0 DBADRM COC[C@H](OC)C(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001599187079 1017547114 /nfs/dbraw/zinc/54/71/14/1017547114.db2.gz NHAFSMKDJGQIJI-ONGXEEELSA-N -1 0 317.338 -0.097 20 0 DBADRM COC[C@@]1(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])CCOC1 ZINC001599183661 1017547487 /nfs/dbraw/zinc/54/74/87/1017547487.db2.gz ILZHTOWVWJQBSW-HZMBPMFUSA-N -1 0 317.338 -0.238 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)Cn1cc([C@H](C)O)nn1 ZINC001599190295 1017548983 /nfs/dbraw/zinc/54/89/83/1017548983.db2.gz KVMQXTDSGZYKJC-TVQRCGJNSA-N -1 0 312.326 -0.576 20 0 DBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@@]1(F)CCS(=O)(=O)C1 ZINC001599190201 1017549041 /nfs/dbraw/zinc/54/90/41/1017549041.db2.gz GQKAGJAXUBHYTP-NEPJUHHUSA-N -1 0 323.342 -0.395 20 0 DBADRM COC[C@H](OC)C(=O)N[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001599187580 1017549121 /nfs/dbraw/zinc/54/91/21/1017549121.db2.gz ROANHWCKGQULET-SCZZXKLOSA-N -1 0 312.326 -0.247 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@]1(F)CCS(=O)(=O)C1 ZINC001599190202 1017549303 /nfs/dbraw/zinc/54/93/03/1017549303.db2.gz GQKAGJAXUBHYTP-NWDGAFQWSA-N -1 0 323.342 -0.395 20 0 DBADRM COC[C@H]1CCN(C(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)C1 ZINC001599203865 1017550709 /nfs/dbraw/zinc/55/07/09/1017550709.db2.gz OIFFLBFQAFZLSU-HZMBPMFUSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@]1(CO)CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001599200234 1017550794 /nfs/dbraw/zinc/55/07/94/1017550794.db2.gz CDKLYJAYVFTMOA-LLVKDONJSA-N -1 0 320.323 -0.608 20 0 DBADRM COC[C@@]1(CO)CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001599201177 1017551177 /nfs/dbraw/zinc/55/11/77/1017551177.db2.gz REEQKTQVZZDKGJ-MDZLAQPJSA-N -1 0 321.395 -0.100 20 0 DBADRM COCC1(CNC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC001599198146 1017551359 /nfs/dbraw/zinc/55/13/59/1017551359.db2.gz LVZZLVJKZACPGJ-SNVBAGLBSA-N -1 0 314.338 -0.769 20 0 DBADRM COCC1(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])CCC1 ZINC001599202207 1017551822 /nfs/dbraw/zinc/55/18/22/1017551822.db2.gz XFNAJUARWQKMKZ-ZJUUUORDSA-N -1 0 307.368 -0.205 20 0 DBADRM COC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC001599206388 1017552580 /nfs/dbraw/zinc/55/25/80/1017552580.db2.gz JFJGETSDUHNIRO-VWYCJHECSA-N -1 0 314.338 -0.818 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])n2)CCO1 ZINC001599207368 1017553253 /nfs/dbraw/zinc/55/32/53/1017553253.db2.gz VCUBPTAAFDIBKR-SECBINFHSA-N -1 0 323.305 -0.408 20 0 DBADRM COC[C@@H]1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001599205235 1017553894 /nfs/dbraw/zinc/55/38/94/1017553894.db2.gz FCGPLIZMGPWHTD-LPEHRKFASA-N -1 0 301.343 -0.358 20 0 DBADRM COC[C@@H]1CCCN1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599204152 1017553965 /nfs/dbraw/zinc/55/39/65/1017553965.db2.gz VHKHNLPUBQJTPG-GUBZILKMSA-N -1 0 301.343 -0.215 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC001599205557 1017554142 /nfs/dbraw/zinc/55/41/42/1017554142.db2.gz NREJVPSBEOOWIB-XWLWVQCSSA-N -1 0 307.368 -0.085 20 0 DBADRM COCC[C@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1)C(N)=O ZINC001599211688 1017555579 /nfs/dbraw/zinc/55/55/79/1017555579.db2.gz AHMXJVSTPMZZEM-JTQLQIEISA-N -1 0 323.305 -0.670 20 0 DBADRM COCC[C@@H](C)NC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599210315 1017556276 /nfs/dbraw/zinc/55/62/76/1017556276.db2.gz IEGULZHIYOQLTC-MWLCHTKSSA-N -1 0 316.354 -0.788 20 0 DBADRM COC[C@@H]1CNCCN1S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001599208729 1017556359 /nfs/dbraw/zinc/55/63/59/1017556359.db2.gz ZVGDSPLLWLQKMS-VIFPVBQESA-N -1 0 315.351 -0.611 20 0 DBADRM COCC[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C(=O)OC ZINC001599219648 1017557216 /nfs/dbraw/zinc/55/72/16/1017557216.db2.gz UWEQFQTXBJGGDC-VIFPVBQESA-N -1 0 323.367 -0.261 20 0 DBADRM COCC[C@H](Nc1cc(C)nc2nc(C(=O)[O-])nn21)C(N)=O ZINC001599216712 1017557394 /nfs/dbraw/zinc/55/73/94/1017557394.db2.gz JFMVMKPSUMTLKR-ZETCQYMHSA-N -1 0 308.298 -0.567 20 0 DBADRM COCC[C@@H](NC(=O)c1cc(N2CCOCC2)ncn1)C(=O)[O-] ZINC001599216449 1017557563 /nfs/dbraw/zinc/55/75/63/1017557563.db2.gz VYBGVTKFUYCPJE-SNVBAGLBSA-N -1 0 324.337 -0.467 20 0 DBADRM COCC[C@@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-] ZINC001599217977 1017557721 /nfs/dbraw/zinc/55/77/21/1017557721.db2.gz AYUKKXDOMJPPQE-SNVBAGLBSA-N -1 0 310.372 -0.579 20 0 DBADRM COCC[C@@H](NC(=O)c1cc(S(N)(=O)=O)oc1C)C(=O)[O-] ZINC001599216302 1017558213 /nfs/dbraw/zinc/55/82/13/1017558213.db2.gz NRRBFESSDMOCKD-MRVPVSSYSA-N -1 0 320.323 -0.545 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1c[nH]c2ncncc12)C(=O)[O-] ZINC001599219644 1017558311 /nfs/dbraw/zinc/55/83/11/1017558311.db2.gz UURHEQQLGQIMPH-QMMMGPOBSA-N -1 0 314.323 -0.323 20 0 DBADRM COCC[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)C(N)=O ZINC001599217137 1017558740 /nfs/dbraw/zinc/55/87/40/1017558740.db2.gz HGYSZCRYMPPJHD-NSHDSACASA-N -1 0 310.306 -0.230 20 0 DBADRM COCC[C@H](NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])C(N)=O ZINC001599217265 1017558920 /nfs/dbraw/zinc/55/89/20/1017558920.db2.gz CTRMAXWMOIRFIJ-KXUCPTDWSA-N -1 0 322.383 -0.560 20 0 DBADRM COCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001599224436 1017559664 /nfs/dbraw/zinc/55/96/64/1017559664.db2.gz QEHQHCDUDCNEKA-HKLXJQGRSA-N -1 0 310.350 -0.293 20 0 DBADRM COCCCN(C)C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001599221876 1017559809 /nfs/dbraw/zinc/55/98/09/1017559809.db2.gz BQTJEJCYOYXPOP-UHFFFAOYSA-N -1 0 312.326 -0.290 20 0 DBADRM COCCCNC(=O)[C@@H](C)OC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001599225906 1017560264 /nfs/dbraw/zinc/56/02/64/1017560264.db2.gz WOEZVZCJXOYOPG-BBBLOLIVSA-N -1 0 303.311 -0.297 20 0 DBADRM COCCCOc1ccc(C(=O)N2CC(O)(C(=O)[O-])C2)cn1 ZINC001599227132 1017560669 /nfs/dbraw/zinc/56/06/69/1017560669.db2.gz FKDGPOMMSKGZSL-UHFFFAOYSA-N -1 0 310.306 -0.232 20 0 DBADRM COCCN(C)C(=O)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001599232844 1017562557 /nfs/dbraw/zinc/56/25/57/1017562557.db2.gz SOWQTAMYAPGQIJ-SECBINFHSA-N -1 0 304.368 -0.633 20 0 DBADRM COCCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001599233124 1017562921 /nfs/dbraw/zinc/56/29/21/1017562921.db2.gz CJQGWTUPKMMSTJ-CKYFFXLPSA-N -1 0 316.354 -0.572 20 0 DBADRM COCCN(CC(=O)OC)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001599234491 1017563989 /nfs/dbraw/zinc/56/39/89/1017563989.db2.gz HLCNSBMFRJPYMU-UHFFFAOYSA-N -1 0 309.340 -0.698 20 0 DBADRM COCC[NH2+]Cc1ccn(Cc2cn(C3(C(=O)[O-])CC3)nn2)n1 ZINC001599244932 1017567057 /nfs/dbraw/zinc/56/70/57/1017567057.db2.gz PAXCHDXLEQYMPF-UHFFFAOYSA-N -1 0 320.353 -0.167 20 0 DBADRM COCCN1CCN([C@@H](C(=O)[O-])C2(OC)CCC2)CC1=O ZINC001599243829 1017568585 /nfs/dbraw/zinc/56/85/85/1017568585.db2.gz YBFWURWDKPBZHR-LBPRGKRZSA-N -1 0 300.355 -0.201 20 0 DBADRM COCCN1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1=O ZINC001599243497 1017568713 /nfs/dbraw/zinc/56/87/13/1017568713.db2.gz ZOUGMLSFTURBKC-UHFFFAOYSA-N -1 0 318.307 -0.585 20 0 DBADRM COCc1ccccc1S(=O)(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001599296213 1017580232 /nfs/dbraw/zinc/58/02/32/1017580232.db2.gz FXKPWMMZPKRUMR-LBPRGKRZSA-N -1 0 303.336 -0.053 20 0 DBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C(=O)[O-])no1 ZINC001599249011 1017570509 /nfs/dbraw/zinc/57/05/09/1017570509.db2.gz GKEFJEKIHSUWPH-LDYMZIIASA-N -1 0 314.294 -0.077 20 0 DBADRM COCCOC[C@@H](C)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599249338 1017571919 /nfs/dbraw/zinc/57/19/19/1017571919.db2.gz GKRDVQFQXOHGQI-UTLUCORTSA-N -1 0 319.358 -0.685 20 0 DBADRM COCCOC[C@H](C)NC(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001599250057 1017572274 /nfs/dbraw/zinc/57/22/74/1017572274.db2.gz UAONULYYDCYCKX-GWCFXTLKSA-N -1 0 304.343 -0.077 20 0 DBADRM COCCONC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001599252259 1017572783 /nfs/dbraw/zinc/57/27/83/1017572783.db2.gz JIDAGXJAYPBUJV-ZDUSSCGKSA-N -1 0 317.342 -0.865 20 0 DBADRM COCCOCCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001599250707 1017573008 /nfs/dbraw/zinc/57/30/08/1017573008.db2.gz RIAASJGTIZSRJW-GHMZBOCLSA-N -1 0 316.354 -0.523 20 0 DBADRM COCCOCCC(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599251157 1017573231 /nfs/dbraw/zinc/57/32/31/1017573231.db2.gz YHFZUJWRODKEIK-MNOVXSKESA-N -1 0 314.338 -0.913 20 0 DBADRM COCCO[C@]12CCC[C@@]1(NC(=O)COCC(=O)[O-])CCO2 ZINC001599252239 1017573997 /nfs/dbraw/zinc/57/39/97/1017573997.db2.gz IIRIWHIKVGGANT-ZIAGYGMSSA-N -1 0 317.338 -0.094 20 0 DBADRM COCCOCCNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C ZINC001599251387 1017574857 /nfs/dbraw/zinc/57/48/57/1017574857.db2.gz IKKSQLVCQYCFBM-LBPRGKRZSA-N -1 0 317.386 -0.160 20 0 DBADRM COCCOCCN(CCO)C(=O)c1cccc(C(=O)[O-])n1 ZINC001599250772 1017574903 /nfs/dbraw/zinc/57/49/03/1017574903.db2.gz VMBHPSLEYUETEH-UHFFFAOYSA-N -1 0 312.322 -0.123 20 0 DBADRM COCCn1c([C@@H](C)O)nnc1N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001599269885 1017575525 /nfs/dbraw/zinc/57/55/25/1017575525.db2.gz IUIYSTATONWODA-OPRDCNLKSA-N -1 0 314.342 -0.344 20 0 DBADRM COCCn1cc(C(=O)NCCSCCC(=O)[O-])nn1 ZINC001599271284 1017575649 /nfs/dbraw/zinc/57/56/49/1017575649.db2.gz IQBBLOOBMQZNMZ-UHFFFAOYSA-N -1 0 302.356 -0.138 20 0 DBADRM COCCS(=O)(=O)CC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001599261899 1017575764 /nfs/dbraw/zinc/57/57/64/1017575764.db2.gz FLZKEKSKDHYRQV-SKDRFNHKSA-N -1 0 305.352 -0.487 20 0 DBADRM CON(C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)[C@H](C)CC(=O)[O-] ZINC001599308579 1017583935 /nfs/dbraw/zinc/58/39/35/1017583935.db2.gz BQHDWTHVLZNMHW-ZJUUUORDSA-N -1 0 322.383 -0.642 20 0 DBADRM COCCn1c([C@@H](C)O)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001599270052 1017576270 /nfs/dbraw/zinc/57/62/70/1017576270.db2.gz QTIKNZDIEMJGGV-RKDXNWHRSA-N -1 0 300.315 -0.732 20 0 DBADRM COCCn1cc(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])ccc1=O ZINC001599271082 1017577055 /nfs/dbraw/zinc/57/70/55/1017577055.db2.gz DMJGRWNREMVIDF-GWCFXTLKSA-N -1 0 324.333 -0.286 20 0 DBADRM COCCn1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)n1 ZINC001599271250 1017577112 /nfs/dbraw/zinc/57/71/12/1017577112.db2.gz JXFKCWMCSLLFNM-UHFFFAOYSA-N -1 0 310.310 -0.551 20 0 DBADRM COCCn1ncc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c1C ZINC001599274097 1017577736 /nfs/dbraw/zinc/57/77/36/1017577736.db2.gz WVWMSMPOGSDNKC-RYUDHWBXSA-N -1 0 311.338 -0.112 20 0 DBADRM COCCn1ncc(C(=O)N(CC(=O)[O-])CC(=O)OC)c1C ZINC001599273558 1017578842 /nfs/dbraw/zinc/57/88/42/1017578842.db2.gz HWSZMGRFQFKPNV-UHFFFAOYSA-N -1 0 313.310 -0.462 20 0 DBADRM COCCn1cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c(C)n1 ZINC001599271725 1017579238 /nfs/dbraw/zinc/57/92/38/1017579238.db2.gz QIARSIXJIGOLGV-LBPRGKRZSA-N -1 0 321.337 -0.013 20 0 DBADRM COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001599276118 1017579395 /nfs/dbraw/zinc/57/93/95/1017579395.db2.gz MSCKKJDVJCZSNC-LBPRGKRZSA-N -1 0 324.333 -0.234 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001599276525 1017579474 /nfs/dbraw/zinc/57/94/74/1017579474.db2.gz BYJSNCYLDAZFLQ-NXEZZACHSA-N -1 0 316.335 -0.450 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1CC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001599276694 1017579564 /nfs/dbraw/zinc/57/95/64/1017579564.db2.gz HTCKUSFLMLCFPU-UTUOFQBUSA-N -1 0 302.371 -0.317 20 0 DBADRM COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001599277439 1017580445 /nfs/dbraw/zinc/58/04/45/1017580445.db2.gz ZRVAHABJAFHIRY-GHMZBOCLSA-N -1 0 323.305 -0.674 20 0 DBADRM COCc1nc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)no1 ZINC001599299249 1017580656 /nfs/dbraw/zinc/58/06/56/1017580656.db2.gz GIKQZEYTLAFKOS-ISVAXAHUSA-N -1 0 311.294 -0.221 20 0 DBADRM COCc1cc(NC(=O)CN2CCNC(=O)C2)cc(C(=O)[O-])c1 ZINC001599283803 1017580927 /nfs/dbraw/zinc/58/09/27/1017580927.db2.gz XXOQNOBYUXTHLU-UHFFFAOYSA-N -1 0 321.333 -0.099 20 0 DBADRM COCc1nc(-c2nnc(N3CC[C@H](C(=O)[O-])C3)n2C)nn1C ZINC001599299966 1017581362 /nfs/dbraw/zinc/58/13/62/1017581362.db2.gz TYNWUIRKUFNDGU-QMMMGPOBSA-N -1 0 321.341 -0.332 20 0 DBADRM COC[C@@H](C)NC(=O)C(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001599278099 1017582039 /nfs/dbraw/zinc/58/20/39/1017582039.db2.gz YUZQIACWYWNICD-MRVPVSSYSA-N -1 0 311.338 -0.201 20 0 DBADRM COC[C@H](O)CNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001599277816 1017582083 /nfs/dbraw/zinc/58/20/83/1017582083.db2.gz SGPOGZYRZKNMHT-SNVBAGLBSA-N -1 0 310.306 -0.245 20 0 DBADRM COCc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)no1 ZINC001599279284 1017582111 /nfs/dbraw/zinc/58/21/11/1017582111.db2.gz PWTDDUSPGXFNSP-UWVGGRQHSA-N -1 0 323.305 -0.518 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)CC2 ZINC001599303521 1017583115 /nfs/dbraw/zinc/58/31/15/1017583115.db2.gz YYSUWKDVYQTFNY-LPEHRKFASA-N -1 0 323.353 -0.098 20 0 DBADRM COCc1ncc(C(=O)N(CC(=O)[O-])CC(=O)OC)s1 ZINC001599302382 1017583491 /nfs/dbraw/zinc/58/34/91/1017583491.db2.gz FBSGQCJSTBMVKD-UHFFFAOYSA-N -1 0 302.308 -0.011 20 0 DBADRM CON(C(=O)CCC(=O)NCCNC(C)=O)[C@@H](C)CC(=O)[O-] ZINC001599309084 1017583574 /nfs/dbraw/zinc/58/35/74/1017583574.db2.gz AYNZDRIQVAHYKJ-VIFPVBQESA-N -1 0 317.342 -0.728 20 0 DBADRM COCc1nc(CNC(=O)N2CC(O)(C(=O)[O-])C2)cs1 ZINC001599300428 1017583629 /nfs/dbraw/zinc/58/36/29/1017583629.db2.gz BYBUNNQEFALBSD-UHFFFAOYSA-N -1 0 301.324 -0.370 20 0 DBADRM COCc1nccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1 ZINC001599305218 1017583764 /nfs/dbraw/zinc/58/37/64/1017583764.db2.gz JPIIQVLGLQEHDH-VIFPVBQESA-N -1 0 322.321 -0.115 20 0 DBADRM COCc1nc(CN2C(=O)N[C@@](C)(CCC(=O)[O-])C2=O)no1 ZINC001599300913 1017583863 /nfs/dbraw/zinc/58/38/63/1017583863.db2.gz SIKKPUHZZCGNJY-LBPRGKRZSA-N -1 0 312.282 -0.109 20 0 DBADRM COCc1nocc1C(=O)NCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001599306720 1017584064 /nfs/dbraw/zinc/58/40/64/1017584064.db2.gz GJGPSJKYPWVGKI-SFYZADRCSA-N -1 0 311.294 -0.612 20 0 DBADRM COCc1ncc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)c(N)n1 ZINC001599304204 1017584193 /nfs/dbraw/zinc/58/41/93/1017584193.db2.gz JYVDCQWPWPPLDV-DTWKUNHWSA-N -1 0 310.310 -0.546 20 0 DBADRM COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H]1C[C@H]1C(=O)[O-])CC2 ZINC001599303267 1017584338 /nfs/dbraw/zinc/58/43/38/1017584338.db2.gz VDHCTBICMSEORV-KXUCPTDWSA-N -1 0 323.353 -0.241 20 0 DBADRM COCn1nccc1S(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001599307602 1017584547 /nfs/dbraw/zinc/58/45/47/1017584547.db2.gz BZVCXDOSQINZPX-LLVKDONJSA-N -1 0 319.339 -0.601 20 0 DBADRM CON(C(=O)CCC(=O)N1CCOCC1)[C@H](C)CC(=O)[O-] ZINC001599309571 1017585851 /nfs/dbraw/zinc/58/58/51/1017585851.db2.gz DEIWXARCRCWWLL-SNVBAGLBSA-N -1 0 302.327 -0.121 20 0 DBADRM CON(C(=O)C1CCN(S(N)(=O)=O)CC1)[C@H](C)CC(=O)[O-] ZINC001599310422 1017586347 /nfs/dbraw/zinc/58/63/47/1017586347.db2.gz LFPDQEPZDIPDQM-MRVPVSSYSA-N -1 0 323.371 -0.845 20 0 DBADRM CON(C)C(=O)[C@@H](C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001599315649 1017586864 /nfs/dbraw/zinc/58/68/64/1017586864.db2.gz WZTPTYWLONEJME-ZCFIWIBFSA-N -1 0 320.327 -0.897 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001599323718 1017589541 /nfs/dbraw/zinc/58/95/41/1017589541.db2.gz AYQMDKAQZHEIDG-ICUOPCATSA-N -1 0 314.338 -0.467 20 0 DBADRM CO[C@@H]1CCN(C(=O)C(=O)NCc2cc(C(=O)[O-])c(C)n2C)C1 ZINC001599321468 1017589924 /nfs/dbraw/zinc/58/99/24/1017589924.db2.gz LHDAKMWPUPDOJY-LLVKDONJSA-N -1 0 323.349 -0.105 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001599322851 1017590033 /nfs/dbraw/zinc/59/00/33/1017590033.db2.gz VNVDTCVZVUOPQB-RULNRJAQSA-N -1 0 314.338 -0.770 20 0 DBADRM CO[C@@H]1C[C@H]1C(=O)N1[C@H](C(=O)NCCC(=O)[O-])CS[C@H]1C ZINC001599324554 1017591300 /nfs/dbraw/zinc/59/13/00/1017591300.db2.gz KPSZOEGSBDRNGP-QCLAVDOMSA-N -1 0 316.379 -0.098 20 0 DBADRM CO[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)C1 ZINC001599325698 1017591359 /nfs/dbraw/zinc/59/13/59/1017591359.db2.gz FFKJULSWNULINZ-AOOOYVTPSA-N -1 0 324.337 -0.244 20 0 DBADRM COc1c2cnn(C)c2ncc1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001599329205 1017591660 /nfs/dbraw/zinc/59/16/60/1017591660.db2.gz SHBAFOVIPBVICC-CYBMUJFWSA-N -1 0 308.294 -0.458 20 0 DBADRM CO[C@H]1C[C@H](CNC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001599326947 1017592313 /nfs/dbraw/zinc/59/23/13/1017592313.db2.gz ZHXGYCLHTPRNHY-DCAQKATOSA-N -1 0 314.338 -0.770 20 0 DBADRM COc1c2cnn(C)c2ncc1C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001599329051 1017592382 /nfs/dbraw/zinc/59/23/82/1017592382.db2.gz QAGRTNRPJPGWQK-CQSZACIVSA-N -1 0 320.305 -0.050 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001599324030 1017593129 /nfs/dbraw/zinc/59/31/29/1017593129.db2.gz MGINZQVOSKZRQR-IVZWLZJFSA-N -1 0 304.368 -0.141 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CC[C@@H](O)C1 ZINC001599367998 1017594123 /nfs/dbraw/zinc/59/41/23/1017594123.db2.gz JBLVVHUHKVJAME-SECBINFHSA-N -1 0 308.290 -0.075 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001599370847 1017594177 /nfs/dbraw/zinc/59/41/77/1017594177.db2.gz MPPKMWAFTLVVAP-UHFFFAOYSA-N -1 0 319.277 -0.278 20 0 DBADRM COc1c[nH]c(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1=O ZINC001599344979 1017594463 /nfs/dbraw/zinc/59/44/63/1017594463.db2.gz DQOLFJZORULIGI-SECBINFHSA-N -1 0 323.305 -0.811 20 0 DBADRM COc1cc(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)on1 ZINC001599354195 1017595184 /nfs/dbraw/zinc/59/51/84/1017595184.db2.gz JYOTVNIEXUTTAB-UHFFFAOYSA-N -1 0 321.293 -0.175 20 0 DBADRM COc1cc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)nn1C ZINC001599435703 1017596341 /nfs/dbraw/zinc/59/63/41/1017596341.db2.gz SQTMGWBTFKCCKU-MRVPVSSYSA-N -1 0 310.310 -0.310 20 0 DBADRM COc1cc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n(C)n1 ZINC001599435674 1017596799 /nfs/dbraw/zinc/59/67/99/1017596799.db2.gz SAYGZAFFSRSWRJ-MRVPVSSYSA-N -1 0 310.310 -0.310 20 0 DBADRM COc1cc(NC(=O)C(=O)NCc2ccc(C(=O)[O-])o2)nn1C ZINC001599430178 1017597291 /nfs/dbraw/zinc/59/72/91/1017597291.db2.gz WBRREGAKMCOTEE-UHFFFAOYSA-N -1 0 322.277 -0.025 20 0 DBADRM COc1cc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)nn1C ZINC001599435705 1017597525 /nfs/dbraw/zinc/59/75/25/1017597525.db2.gz SQTMGWBTFKCCKU-QMMMGPOBSA-N -1 0 310.310 -0.310 20 0 DBADRM COc1cc(NC(=O)C(=O)NCCSCC(=O)[O-])nn1C ZINC001599428710 1017597940 /nfs/dbraw/zinc/59/79/40/1017597940.db2.gz AGJDAKQMCRFUKB-UHFFFAOYSA-N -1 0 316.339 -0.699 20 0 DBADRM COc1cc(NC(=O)C(=O)NCCCC(N)=O)ccc1C(=O)[O-] ZINC001599429500 1017598310 /nfs/dbraw/zinc/59/83/10/1017598310.db2.gz OVMSENLTPGZTJY-UHFFFAOYSA-N -1 0 323.305 -0.286 20 0 DBADRM COc1ccc(C(=O)[O-])c(OC(=O)CN2CCNC(=O)C2)c1 ZINC001599491153 1017599120 /nfs/dbraw/zinc/59/91/20/1017599120.db2.gz GUSJZRSTNKACJH-UHFFFAOYSA-N -1 0 308.290 -0.269 20 0 DBADRM COc1ccc(-n2cc(C(=O)N[C@](C)(CO)C(=O)[O-])nn2)cc1 ZINC001599473400 1017599355 /nfs/dbraw/zinc/59/93/55/1017599355.db2.gz CLFQJRQOGXGVIU-CQSZACIVSA-N -1 0 320.305 -0.159 20 0 DBADRM COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N[C@H]2CCNC2=O)c1 ZINC001599490188 1017599465 /nfs/dbraw/zinc/59/94/65/1017599465.db2.gz TWAIZUJLOBBBNX-VIFPVBQESA-N -1 0 321.289 -0.663 20 0 DBADRM COc1cc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])sn1 ZINC001599460400 1017599806 /nfs/dbraw/zinc/59/98/06/1017599806.db2.gz RNHYKZFXKNAQKA-MUWHJKNJSA-N -1 0 322.364 -0.250 20 0 DBADRM COc1ccc([C@H](NC(=O)C2CS(=O)(=O)C2)C(=O)[O-])cc1 ZINC001599516124 1017599892 /nfs/dbraw/zinc/59/98/92/1017599892.db2.gz BIAJTAFJFVIQKQ-NSHDSACASA-N -1 0 313.331 -0.018 20 0 DBADRM COc1ccc(-n2cc(C(=O)N[C@@](C)(CO)C(=O)[O-])nn2)cc1 ZINC001599473399 1017600397 /nfs/dbraw/zinc/60/03/97/1017600397.db2.gz CLFQJRQOGXGVIU-AWEZNQCLSA-N -1 0 320.305 -0.159 20 0 DBADRM COc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001599480502 1017600407 /nfs/dbraw/zinc/60/04/07/1017600407.db2.gz YWOMHRNXPVAALA-QWRGUYRKSA-N -1 0 319.317 -0.249 20 0 DBADRM COc1cc(OCC(=O)N2CCNC(=O)C2)ccc1C(=O)[O-] ZINC001599455732 1017600426 /nfs/dbraw/zinc/60/04/26/1017600426.db2.gz IFMQTAKBAWQIOE-UHFFFAOYSA-N -1 0 308.290 -0.269 20 0 DBADRM COc1ccc(C(=O)[O-])cc1CN1CC(S(N)(=O)=O)C1 ZINC001599498829 1017600484 /nfs/dbraw/zinc/60/04/84/1017600484.db2.gz JHNZQDCEPRJMSF-UHFFFAOYSA-N -1 0 300.336 -0.134 20 0 DBADRM COc1ccc([C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(=O)[O-])cc1 ZINC001599520006 1017600605 /nfs/dbraw/zinc/60/06/05/1017600605.db2.gz KALFTVLSHCITQQ-GXSJLCMTSA-N -1 0 321.289 -0.465 20 0 DBADRM COc1cc(S(=O)(=O)NCCC(N)=O)ccc1C(=O)[O-] ZINC001599458654 1017600732 /nfs/dbraw/zinc/60/07/32/1017600732.db2.gz NYGGQLNPAXWNIG-UHFFFAOYSA-N -1 0 302.308 -0.453 20 0 DBADRM COc1ccc(C(=O)NC[C@H](O)CC(=O)[O-])cc1OCCO ZINC001599482501 1017600930 /nfs/dbraw/zinc/60/09/30/1017600930.db2.gz XULIJASTGWNDML-SNVBAGLBSA-N -1 0 313.306 -0.368 20 0 DBADRM COc1cc(S(=O)(=O)N[C@@H]2COC(=O)C2)ccc1C(=O)[O-] ZINC001599461074 1017601158 /nfs/dbraw/zinc/60/11/58/1017601158.db2.gz LLHCJFOHNZQLEY-ZETCQYMHSA-N -1 0 315.303 -0.013 20 0 DBADRM COc1cc(S(=O)(=O)N[C@H]2CCNC2=O)ccc1C(=O)[O-] ZINC001599461173 1017601171 /nfs/dbraw/zinc/60/11/71/1017601171.db2.gz OHGBCUWONWAMCZ-VIFPVBQESA-N -1 0 314.319 -0.440 20 0 DBADRM COc1ccc(COCC(=O)N2CC[C@](O)(C(=O)[O-])C2)cn1 ZINC001599575986 1017602258 /nfs/dbraw/zinc/60/22/58/1017602258.db2.gz SNAGREWVRRHBDF-CQSZACIVSA-N -1 0 310.306 -0.345 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1O ZINC001599564569 1017602728 /nfs/dbraw/zinc/60/27/28/1017602728.db2.gz NBZRUMMMBXPTHQ-SNVBAGLBSA-N -1 0 322.317 -0.050 20 0 DBADRM COc1ccc(CNC(=O)Cn2ncn(C)c2=O)cc1C(=O)[O-] ZINC001599566413 1017603156 /nfs/dbraw/zinc/60/31/56/1017603156.db2.gz VOGMVKAFRGJMFW-UHFFFAOYSA-N -1 0 320.305 -0.395 20 0 DBADRM COc1ccc(CN(C)C(=O)C(=O)NC[C@H](F)C(=O)[O-])cn1 ZINC001599556140 1017603291 /nfs/dbraw/zinc/60/32/91/1017603291.db2.gz GOVGORBPNZBWOA-VIFPVBQESA-N -1 0 313.285 -0.413 20 0 DBADRM COc1ccc(F)cc1S(=O)(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001599583269 1017603563 /nfs/dbraw/zinc/60/35/63/1017603563.db2.gz RAIHEEUBVPPNAF-NSHDSACASA-N -1 0 307.299 -0.052 20 0 DBADRM COc1ccc(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1C(=O)[O-] ZINC001599569448 1017604064 /nfs/dbraw/zinc/60/40/64/1017604064.db2.gz PFNLCNBKTQAZSY-VIFPVBQESA-N -1 0 321.289 -0.392 20 0 DBADRM COc1ccc(S(=O)(=O)NC2(C(N)=O)CC2)c(C(=O)[O-])c1 ZINC001599612028 1017604799 /nfs/dbraw/zinc/60/47/99/1017604799.db2.gz DPONBJYNKCUWFS-UHFFFAOYSA-N -1 0 314.319 -0.310 20 0 DBADRM COc1ccc(OCC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])cc1 ZINC001599604187 1017605353 /nfs/dbraw/zinc/60/53/53/1017605353.db2.gz FEDVURDPRYXORS-LBPRGKRZSA-N -1 0 320.305 -0.065 20 0 DBADRM COc1cccc(C(=O)NCC(=O)OCC(=O)NCC(=O)[O-])c1 ZINC001599643097 1017606002 /nfs/dbraw/zinc/60/60/02/1017606002.db2.gz SVSODSVZRNRNAC-UHFFFAOYSA-N -1 0 324.289 -0.831 20 0 DBADRM COc1cccc(C)c1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-] ZINC001599661731 1017606040 /nfs/dbraw/zinc/60/60/40/1017606040.db2.gz ODACKZSAWSKXNY-SECBINFHSA-N -1 0 310.306 -0.106 20 0 DBADRM COc1cccc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001599643132 1017606648 /nfs/dbraw/zinc/60/66/48/1017606648.db2.gz WQVZYZFRQHBLRA-NXEZZACHSA-N -1 0 321.333 -0.001 20 0 DBADRM COc1cccc(C[C@@H](O)C(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC001599671370 1017607834 /nfs/dbraw/zinc/60/78/34/1017607834.db2.gz IJXYMNPSWWWZQJ-CQSZACIVSA-N -1 0 322.361 -0.173 20 0 DBADRM COc1cccc([C@H](NC(=O)CN2CCNCC2=O)C(=O)[O-])c1 ZINC001599685715 1017608533 /nfs/dbraw/zinc/60/85/33/1017608533.db2.gz WKTUUWUNGNXYLW-AWEZNQCLSA-N -1 0 321.333 -0.631 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001599700449 1017608578 /nfs/dbraw/zinc/60/85/78/1017608578.db2.gz ZFQUMKGDQSVVQA-OAHLLOKOSA-N -1 0 322.317 -0.215 20 0 DBADRM COc1cccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001599673102 1017608938 /nfs/dbraw/zinc/60/89/38/1017608938.db2.gz OYGKWILCZKVOSC-SNVBAGLBSA-N -1 0 300.336 -0.226 20 0 DBADRM COc1ccccc1CCNC(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001599710243 1017609232 /nfs/dbraw/zinc/60/92/32/1017609232.db2.gz JMNNCYHIUNSGNK-JTQLQIEISA-N -1 0 312.297 -0.107 20 0 DBADRM COc1ccccc1C[C@@H](CNC(=O)[C@H]1CC(=O)N1)C(=O)[O-] ZINC001599706589 1017609295 /nfs/dbraw/zinc/60/92/95/1017609295.db2.gz NPXGLSZNQXELOS-WDEREUQCSA-N -1 0 306.318 -0.057 20 0 DBADRM COc1cccn2c(=O)n(CN3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)nc12 ZINC001599719103 1017609316 /nfs/dbraw/zinc/60/93/16/1017609316.db2.gz FUJVJMRPUPTGEU-JZYVYDRUSA-N -1 0 304.306 -0.276 20 0 DBADRM COc1ccccc1-c1nnc(CC(=O)N[C@H](CO)C(=O)[O-])o1 ZINC001599695005 1017609398 /nfs/dbraw/zinc/60/93/98/1017609398.db2.gz ULRLZQKTXFLDPB-SECBINFHSA-N -1 0 321.289 -0.151 20 0 DBADRM COc1ccccc1OCC(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001599714834 1017609403 /nfs/dbraw/zinc/60/94/03/1017609403.db2.gz KWHZXMWPSOZEQL-JTQLQIEISA-N -1 0 320.305 -0.065 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC001599759466 1017626832 /nfs/dbraw/zinc/62/68/32/1017626832.db2.gz VLWWSZXNCFDWOF-VIFPVBQESA-N -1 0 306.365 -0.071 20 0 DBADRM COc1ccncc1CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001599722005 1017611569 /nfs/dbraw/zinc/61/15/69/1017611569.db2.gz QXMZDWAMEPMDDD-UHFFFAOYSA-N -1 0 312.307 -0.010 20 0 DBADRM COc1coc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1=O ZINC001599727920 1017611738 /nfs/dbraw/zinc/61/17/38/1017611738.db2.gz ZLHPUCFFBWKVLX-GFCCVEGCSA-N -1 0 311.290 -0.054 20 0 DBADRM COc1cncc(NC(=O)C(=O)N[C@H](CC(=O)[O-])C2CC2)n1 ZINC001599727376 1017611775 /nfs/dbraw/zinc/61/17/75/1017611775.db2.gz YDQUWOUWQNZMCH-MRVPVSSYSA-N -1 0 308.294 -0.207 20 0 DBADRM COc1cccnc1CC(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001599720001 1017611879 /nfs/dbraw/zinc/61/18/79/1017611879.db2.gz ZUTULFLVFHOJFI-SNVBAGLBSA-N -1 0 305.294 -0.506 20 0 DBADRM COc1cccnc1C(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599731837 1017613070 /nfs/dbraw/zinc/61/30/70/1017613070.db2.gz ILDRSCRKPHFIBO-UWVGGRQHSA-N -1 0 319.317 -0.249 20 0 DBADRM COc1ncccc1S(=O)(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599737891 1017613529 /nfs/dbraw/zinc/61/35/29/1017613529.db2.gz WSYUUDQZQQSYKR-IUCAKERBSA-N -1 0 316.335 -0.047 20 0 DBADRM COc1nccc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001599734305 1017613623 /nfs/dbraw/zinc/61/36/23/1017613623.db2.gz DTMGALRKXQDYNS-IUCAKERBSA-N -1 0 320.305 -0.854 20 0 DBADRM COc1nc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)co1 ZINC001599730215 1017613654 /nfs/dbraw/zinc/61/36/54/1017613654.db2.gz MYWBFULQMDKHHG-BDAKNGLRSA-N -1 0 323.305 -0.408 20 0 DBADRM COc1nnc(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])s1 ZINC001599738140 1017613715 /nfs/dbraw/zinc/61/37/15/1017613715.db2.gz INAGKLKSFMATQN-SSDOTTSWSA-N -1 0 321.380 -0.380 20 0 DBADRM COc1ncnc(OC)c1C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001599738298 1017613937 /nfs/dbraw/zinc/61/39/37/1017613937.db2.gz CLTHEINGFJNGRK-YUMQZZPRSA-N -1 0 311.294 -0.192 20 0 DBADRM COc1nc(C(=O)NCCCNc2ccnc(C(=O)[O-])n2)co1 ZINC001599731405 1017613977 /nfs/dbraw/zinc/61/39/77/1017613977.db2.gz ZSVQKTJMNWENPC-UHFFFAOYSA-N -1 0 321.293 -0.175 20 0 DBADRM COc1nccc(NC(=O)C(=O)N[C@]2(CC(=O)[O-])CCOC2)n1 ZINC001599735952 1017614073 /nfs/dbraw/zinc/61/40/73/1017614073.db2.gz PZVYKTVCLMBCHA-ZDUSSCGKSA-N -1 0 324.293 -0.826 20 0 DBADRM COc1ncc(S(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)s1 ZINC001599734273 1017614154 /nfs/dbraw/zinc/61/41/54/1017614154.db2.gz DHNQTTHQGOTSEG-UHFFFAOYSA-N -1 0 322.364 -0.344 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC001599739018 1017615036 /nfs/dbraw/zinc/61/50/36/1017615036.db2.gz HDXFLJMOCFXBJE-YUMQZZPRSA-N -1 0 310.310 -0.263 20 0 DBADRM COc1nn(C)cc1NC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001599738607 1017615055 /nfs/dbraw/zinc/61/50/55/1017615055.db2.gz BSROVAILVHGYDA-MRVPVSSYSA-N -1 0 308.294 -0.343 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001599739651 1017615149 /nfs/dbraw/zinc/61/51/49/1017615149.db2.gz UIRRGXQVIJRZOW-LBPRGKRZSA-N -1 0 312.257 -0.551 20 0 DBADRM COc1nn(C)cc1C(=O)NCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001599738748 1017615317 /nfs/dbraw/zinc/61/53/17/1017615317.db2.gz GFUWVLOPYFFDNA-BDAKNGLRSA-N -1 0 324.337 -0.662 20 0 DBADRM CS(=O)(=O)C1(C(=O)NC2CC(CC(=O)[O-])C2)CCOCC1 ZINC001599744238 1017615621 /nfs/dbraw/zinc/61/56/21/1017615621.db2.gz RDZNIWQIVMDLRU-UHFFFAOYSA-N -1 0 319.379 -0.050 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599739494 1017615944 /nfs/dbraw/zinc/61/59/44/1017615944.db2.gz NTUPOQWCOZKFMY-QMMMGPOBSA-N -1 0 324.293 -0.874 20 0 DBADRM CS(C)(=O)=NS(=O)(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC001599779997 1017631520 /nfs/dbraw/zinc/63/15/20/1017631520.db2.gz BJPZHDNCSBHERA-ZETCQYMHSA-N -1 0 316.426 -0.149 20 0 DBADRM C[S@@](=N)(=O)N1CCN(C(=O)c2cc(C(=O)[O-])on2)CC1 ZINC001599743365 1017616102 /nfs/dbraw/zinc/61/61/02/1017616102.db2.gz SCTGAEAURVJCFU-FQEVSTJZSA-N -1 0 302.312 -0.278 20 0 DBADRM COc1ncnc(OC)c1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001599738554 1017616140 /nfs/dbraw/zinc/61/61/40/1017616140.db2.gz KBSUXYYMARLTAT-UHFFFAOYSA-N -1 0 322.281 -0.787 20 0 DBADRM CS(=O)(=O)C1(C(=O)OCC(=O)CCC(=O)[O-])CCOCC1 ZINC001599744805 1017616235 /nfs/dbraw/zinc/61/62/35/1017616235.db2.gz GFYDFGYZSJUOCR-UHFFFAOYSA-N -1 0 322.335 -0.443 20 0 DBADRM COc1nn(C)cc1CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001599739485 1017616298 /nfs/dbraw/zinc/61/62/98/1017616298.db2.gz NEJYJALOOZRXTR-SNVBAGLBSA-N -1 0 324.337 -0.632 20 0 DBADRM COc1nsc(CN(C)CCNS(C)(=O)=O)c1C(=O)[O-] ZINC001599741510 1017616522 /nfs/dbraw/zinc/61/65/22/1017616522.db2.gz YXVXUHQUFGHSRD-UHFFFAOYSA-N -1 0 323.396 -0.169 20 0 DBADRM COc1ncnc(OC)c1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599738821 1017616656 /nfs/dbraw/zinc/61/66/56/1017616656.db2.gz LKXUTGSERCZIAS-VXNVDRBHSA-N -1 0 311.294 -0.287 20 0 DBADRM CS(=O)(=O)C1(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CCOCC1 ZINC001599743144 1017616709 /nfs/dbraw/zinc/61/67/09/1017616709.db2.gz CVJGGEOXHGNQPO-SNVBAGLBSA-N -1 0 317.363 -0.130 20 0 DBADRM COc1ncncc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001599739492 1017616753 /nfs/dbraw/zinc/61/67/53/1017616753.db2.gz NOTIZYDWYQLATH-YUMQZZPRSA-N -1 0 308.294 -0.255 20 0 DBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)NCCSCC(=O)[O-])C1 ZINC001599749143 1017617631 /nfs/dbraw/zinc/61/76/31/1017617631.db2.gz NFUHFOGCJYKLFV-SECBINFHSA-N -1 0 324.424 -0.120 20 0 DBADRM CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001599747180 1017617718 /nfs/dbraw/zinc/61/77/18/1017617718.db2.gz ILZFZLZWYRMOIA-SSDOTTSWSA-N -1 0 323.348 -0.215 20 0 DBADRM CS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])nn2)C1 ZINC001599746508 1017617779 /nfs/dbraw/zinc/61/77/79/1017617779.db2.gz HNZZNFGXFLGMBN-ZETCQYMHSA-N -1 0 314.323 -0.174 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(c2ccc(C(=O)[O-])nn2)CCO1 ZINC001599749292 1017618279 /nfs/dbraw/zinc/61/82/79/1017618279.db2.gz OSDNMNCPDFQSSG-MRVPVSSYSA-N -1 0 301.324 -0.575 20 0 DBADRM CS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001599747181 1017618552 /nfs/dbraw/zinc/61/85/52/1017618552.db2.gz ILZFZLZWYRMOIA-ZETCQYMHSA-N -1 0 323.348 -0.215 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)NCCOCC(=O)[O-])CC1 ZINC001599748781 1017618690 /nfs/dbraw/zinc/61/86/90/1017618690.db2.gz QEMLDURNQYFQIQ-UHFFFAOYSA-N -1 0 308.356 -0.788 20 0 DBADRM CS(=O)(=O)[C@H]1CCN([C@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001599746902 1017618719 /nfs/dbraw/zinc/61/87/19/1017618719.db2.gz UBWSGUIVMAKQFL-UWVGGRQHSA-N -1 0 304.368 -0.819 20 0 DBADRM CS(=O)(=O)CC1(CC(=O)N[C@@]2(CC(=O)[O-])CCOC2)CC1 ZINC001599748309 1017618747 /nfs/dbraw/zinc/61/87/47/1017618747.db2.gz JNHORKGAYDOPEN-CYBMUJFWSA-N -1 0 319.379 -0.049 20 0 DBADRM CS(=O)(=O)CC1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCC1 ZINC001599749190 1017618869 /nfs/dbraw/zinc/61/88/69/1017618869.db2.gz XNLXLXOXMDPTDI-ZJUUUORDSA-N -1 0 319.379 -0.050 20 0 DBADRM CS(=O)(=O)C[C@H]1CN(c2cncc(C(=O)[O-])n2)CCO1 ZINC001599749661 1017619001 /nfs/dbraw/zinc/61/90/01/1017619001.db2.gz VPPMTZJHSYGKTK-MRVPVSSYSA-N -1 0 301.324 -0.575 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001599749739 1017620167 /nfs/dbraw/zinc/62/01/67/1017620167.db2.gz WJEIROZHJZYOBP-UWVGGRQHSA-N -1 0 322.383 -0.808 20 0 DBADRM CS(=O)(=O)CCCNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001599750747 1017620903 /nfs/dbraw/zinc/62/09/03/1017620903.db2.gz HEKZWKVBWQORMP-PTRXPTGYSA-N -1 0 304.368 -0.026 20 0 DBADRM CS(=O)(=O)CCCN1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599750990 1017621124 /nfs/dbraw/zinc/62/11/24/1017621124.db2.gz UFNXHYLQQMDYPT-SECBINFHSA-N -1 0 302.356 -0.342 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001599749991 1017621160 /nfs/dbraw/zinc/62/11/60/1017621160.db2.gz ZQCMHPPHSIUPQT-NHLYECAPSA-N -1 0 317.319 -0.487 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)Nc2cccc(C(=O)[O-])c2N)C1 ZINC001599754152 1017622382 /nfs/dbraw/zinc/62/23/82/1017622382.db2.gz TXRDXKPSKCZJGG-UHFFFAOYSA-N -1 0 313.335 -0.203 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001599756238 1017622486 /nfs/dbraw/zinc/62/24/86/1017622486.db2.gz ZYGZPRVJOLPHRW-LPEHRKFASA-N -1 0 320.367 -0.984 20 0 DBADRM CS(=O)(=O)N1CCC(NC(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001599756593 1017623097 /nfs/dbraw/zinc/62/30/97/1017623097.db2.gz YEEBDFMLCXPSRW-PSASIEDQSA-N -1 0 319.383 -0.570 20 0 DBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)CCC(=O)[O-] ZINC001599756186 1017623516 /nfs/dbraw/zinc/62/35/16/1017623516.db2.gz ZCSDOIQQGXJLSV-VIFPVBQESA-N -1 0 307.324 -0.613 20 0 DBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001599755972 1017623548 /nfs/dbraw/zinc/62/35/48/1017623548.db2.gz TVRICWMKKXEOQH-KXUCPTDWSA-N -1 0 319.383 -0.427 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599757854 1017624266 /nfs/dbraw/zinc/62/42/66/1017624266.db2.gz NTJVFGPPSOZELH-LMLFDSFASA-N -1 0 318.395 -0.069 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)NC[C@H](CC(=O)[O-])C2CC2)C1 ZINC001599758681 1017624420 /nfs/dbraw/zinc/62/44/20/1017624420.db2.gz UMXSLNBPCDCMKV-VIFPVBQESA-N -1 0 319.383 -0.570 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])no2)C1 ZINC001599758568 1017624943 /nfs/dbraw/zinc/62/49/43/1017624943.db2.gz XZJOFHFFWXYSFV-ZETCQYMHSA-N -1 0 317.323 -0.473 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001599759439 1017624969 /nfs/dbraw/zinc/62/49/69/1017624969.db2.gz ULWDVDDPJIHAJV-LLVKDONJSA-N -1 0 316.335 -0.427 20 0 DBADRM CS(=O)(=O)NC1CN(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001599757649 1017625121 /nfs/dbraw/zinc/62/51/21/1017625121.db2.gz DAZFZPLVSBAPIK-UHFFFAOYSA-N -1 0 312.347 -0.313 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC001599757310 1017625237 /nfs/dbraw/zinc/62/52/37/1017625237.db2.gz GGWQFBVBYWAYNC-UHFFFAOYSA-N -1 0 316.379 -0.219 20 0 DBADRM CS(=O)(=O)NCCC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001599759054 1017625513 /nfs/dbraw/zinc/62/55/13/1017625513.db2.gz GDYYFVAERPJHQS-KYXWUPHJSA-N -1 0 304.368 -0.459 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(c2ccc(C(=O)[O-])nn2)C1 ZINC001599759030 1017625593 /nfs/dbraw/zinc/62/55/93/1017625593.db2.gz FLLQWLHZGNSTSP-MRVPVSSYSA-N -1 0 300.340 -0.450 20 0 DBADRM CS(=O)(=O)Nc1ccccc1CC(=O)NC[C@H](O)C(=O)[O-] ZINC001599762682 1017626509 /nfs/dbraw/zinc/62/65/09/1017626509.db2.gz WTQZTVKVOIFLFZ-JTQLQIEISA-N -1 0 316.335 -0.838 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CC[C@H]1CCCO1)C(=O)[O-] ZINC001599763222 1017626848 /nfs/dbraw/zinc/62/68/48/1017626848.db2.gz VQYOFBGBWDIXFJ-GBIKHYSHSA-N -1 0 319.379 -0.050 20 0 DBADRM CS(=O)(=O)NCCCNC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001599760176 1017627589 /nfs/dbraw/zinc/62/75/89/1017627589.db2.gz GLUDXQSAPCDSPT-UHFFFAOYSA-N -1 0 316.339 -0.159 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)N1CCSCC1)C(=O)[O-] ZINC001599763504 1017627681 /nfs/dbraw/zinc/62/76/81/1017627681.db2.gz YMVTXHILMNBDNJ-GZMMTYOYSA-N -1 0 322.408 -0.367 20 0 DBADRM CC/C=C(\C)C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001498117229 1017627617 /nfs/dbraw/zinc/62/76/17/1017627617.db2.gz YWYWNNZNKRLLBD-XBXARRHUSA-N -1 0 309.326 -0.627 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CSC(F)F)C(=O)[O-] ZINC001599762567 1017627771 /nfs/dbraw/zinc/62/77/71/1017627771.db2.gz GASYRVFQONAZKX-SSDLBLMSSA-N -1 0 317.335 -0.054 20 0 DBADRM CS(=O)(=O)c1ccc(NC(=O)NC[C@H](O)CC(=O)[O-])nc1 ZINC001599770774 1017628614 /nfs/dbraw/zinc/62/86/14/1017628614.db2.gz JMGULERILUYKOK-SSDOTTSWSA-N -1 0 317.323 -0.558 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)o1 ZINC001599767683 1017628947 /nfs/dbraw/zinc/62/89/47/1017628947.db2.gz WPXRTJCOYVNBIO-YUMQZZPRSA-N -1 0 317.319 -0.409 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)co1 ZINC001599764507 1017628973 /nfs/dbraw/zinc/62/89/73/1017628973.db2.gz XGHKKFVVAZHHRM-VXNVDRBHSA-N -1 0 317.319 -0.409 20 0 DBADRM CS(=O)(=O)c1nccc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])n1 ZINC001599774920 1017629536 /nfs/dbraw/zinc/62/95/36/1017629536.db2.gz DQIZFOHYQFNAJP-LURJTMIESA-N -1 0 323.277 -0.282 20 0 DBADRM CS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](CO)C(=O)[O-])c1 ZINC001599768812 1017629594 /nfs/dbraw/zinc/62/95/94/1017629594.db2.gz BMCMJJNYKKSBPB-SECBINFHSA-N -1 0 305.283 -0.596 20 0 DBADRM CS(=O)(=O)c1ccc(C(=O)N2CCC(O)(C(=O)[O-])CC2)o1 ZINC001599767449 1017629642 /nfs/dbraw/zinc/62/96/42/1017629642.db2.gz PPMWWYVZPHVFKJ-UHFFFAOYSA-N -1 0 317.319 -0.265 20 0 DBADRM CS[C@H]1CCC[C@@H](NC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001599789067 1017631214 /nfs/dbraw/zinc/63/12/14/1017631214.db2.gz OVPQDXBCXAOFKL-BDAKNGLRSA-N -1 0 316.379 -0.565 20 0 DBADRM C[S@@](=O)C1(CNC(=O)NCCC(=O)NCCC(=O)[O-])CC1 ZINC001599776291 1017631700 /nfs/dbraw/zinc/63/17/00/1017631700.db2.gz YRZFBGJDXRTCBR-OAQYLSRUSA-N -1 0 319.383 -0.822 20 0 DBADRM C[S@](=O)C1(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001599775879 1017632126 /nfs/dbraw/zinc/63/21/26/1017632126.db2.gz UMIRTAHAGHRKDG-NRFANRHFSA-N -1 0 316.379 -0.663 20 0 DBADRM C[S@](=O)C1(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CCC1 ZINC001599775164 1017632423 /nfs/dbraw/zinc/63/24/23/1017632423.db2.gz JASZCGYOGZTTSC-FPVGNUTFSA-N -1 0 316.379 -0.663 20 0 DBADRM CS[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001599789068 1017632447 /nfs/dbraw/zinc/63/24/47/1017632447.db2.gz OVPQDXBCXAOFKL-DTWKUNHWSA-N -1 0 316.379 -0.565 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001599777637 1017632537 /nfs/dbraw/zinc/63/25/37/1017632537.db2.gz XLCVJADTQDASOU-AOUSDQRYSA-N -1 0 316.379 -0.806 20 0 DBADRM C[C@@H](C(=O)N1CC(O)(C(=O)[O-])C1)N(C)C(=O)OC(C)(C)C ZINC001599829990 1017633889 /nfs/dbraw/zinc/63/38/89/1017633889.db2.gz AOIBLWAFKQPKNC-QMMMGPOBSA-N -1 0 302.327 -0.100 20 0 DBADRM CSCC[C@H](O)C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001599795991 1017633942 /nfs/dbraw/zinc/63/39/42/1017633942.db2.gz FVIZFXLSNONJQS-JOYOIKCWSA-N -1 0 301.368 -0.043 20 0 DBADRM CSCCCn1nnnc1N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001599800138 1017634374 /nfs/dbraw/zinc/63/43/74/1017634374.db2.gz OIJVWTROTVFHHE-IUCAKERBSA-N -1 0 301.372 -0.302 20 0 DBADRM CS[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001599790028 1017634819 /nfs/dbraw/zinc/63/48/19/1017634819.db2.gz AYYHJROLWNKRPD-UTLUCORTSA-N -1 0 316.379 -0.349 20 0 DBADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CCNC(=O)CO ZINC001599831952 1017634832 /nfs/dbraw/zinc/63/48/32/1017634832.db2.gz XXVLJLLFKMHLRI-NSHDSACASA-N -1 0 308.334 -0.013 20 0 DBADRM CSc1nc(C)c(CCC(=O)NC[C@H](O)C(=O)[O-])c(=O)[nH]1 ZINC001599828095 1017634932 /nfs/dbraw/zinc/63/49/32/1017634932.db2.gz OFXIOXSTZGQNRI-QMMMGPOBSA-N -1 0 315.351 -0.293 20 0 DBADRM CSCCCNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599799573 1017634995 /nfs/dbraw/zinc/63/49/95/1017634995.db2.gz FFJLLISGGSMGBD-SECBINFHSA-N -1 0 304.368 -0.442 20 0 DBADRM CSCC1(CCNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)CC1 ZINC001599793668 1017635070 /nfs/dbraw/zinc/63/50/70/1017635070.db2.gz VDDKHCCLLUYYDS-UHFFFAOYSA-N -1 0 316.379 -0.706 20 0 DBADRM C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC001599838472 1017636055 /nfs/dbraw/zinc/63/60/55/1017636055.db2.gz XBLZOOSUQQJVFZ-ZJUUUORDSA-N -1 0 324.341 -0.966 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC001599837694 1017636752 /nfs/dbraw/zinc/63/67/52/1017636752.db2.gz TUAUJUHSTRFCPP-LLVKDONJSA-N -1 0 305.334 -0.076 20 0 DBADRM C[C@@H](CO)N(C)C(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001599836843 1017637020 /nfs/dbraw/zinc/63/70/20/1017637020.db2.gz XKMZYNMDNSHRGI-ZETCQYMHSA-N -1 0 324.289 -0.109 20 0 DBADRM C[C@@H](CCNC(=O)Cc1c[nH]cn1)Nc1ccnc(C(=O)[O-])n1 ZINC001599835180 1017637156 /nfs/dbraw/zinc/63/71/56/1017637156.db2.gz FNWHRGHSQYDICF-VIFPVBQESA-N -1 0 318.337 -0.131 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)CO[C@@H]1CCOC1 ZINC001599836373 1017637218 /nfs/dbraw/zinc/63/72/18/1017637218.db2.gz HRUSPIJFYSIKBN-VHSXEESVSA-N -1 0 324.337 -0.681 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)Cc1cnoc1 ZINC001599836595 1017637376 /nfs/dbraw/zinc/63/73/76/1017637376.db2.gz OGNZGTWCGJMDFN-QMMMGPOBSA-N -1 0 305.294 -0.256 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC001599844611 1017638818 /nfs/dbraw/zinc/63/88/18/1017638818.db2.gz QXSFDDIHRCPVRH-GBNDHIKLSA-N -1 0 312.244 -0.606 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O)C(=O)[O-] ZINC001599844688 1017638831 /nfs/dbraw/zinc/63/88/31/1017638831.db2.gz UGEPWLMWGWSVHB-WXHSDQCUSA-N -1 0 320.345 -0.015 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CCCCO)C[C@H]1CC(=O)[O-] ZINC001599847921 1017638906 /nfs/dbraw/zinc/63/89/06/1017638906.db2.gz MMVLXIXFJLAFAJ-GHMZBOCLSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)Cn1cccc(C(F)(F)F)c1=O)C(=O)[O-] ZINC001599843393 1017639200 /nfs/dbraw/zinc/63/92/00/1017639200.db2.gz FWHKWKZMHWPOHU-MUWHJKNJSA-N -1 0 322.239 -0.183 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CN(C(=O)C2CCCCC2)C1)C(=O)[O-] ZINC001599844628 1017639411 /nfs/dbraw/zinc/63/94/11/1017639411.db2.gz RPOFYQWEPSEASY-SKDRFNHKSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CF)C(=O)[O-] ZINC001599843409 1017639459 /nfs/dbraw/zinc/63/94/59/1017639459.db2.gz GTSABJAKVQFWAP-PRJMDXOYSA-N -1 0 308.306 -0.201 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F)C(=O)[O-] ZINC001599844677 1017639531 /nfs/dbraw/zinc/63/95/31/1017639531.db2.gz UBOVZPYUUNIJHW-LKXGYXEUSA-N -1 0 312.244 -0.749 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)[O-] ZINC001599844076 1017639712 /nfs/dbraw/zinc/63/97/12/1017639712.db2.gz VWWQLCWQXSZYRN-KCJUWKMLSA-N -1 0 305.294 -0.710 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1)C(=O)[O-] ZINC001599843684 1017639740 /nfs/dbraw/zinc/63/97/40/1017639740.db2.gz HAULQWOFAHFWDF-YEPSODPASA-N -1 0 316.310 -0.577 20 0 DBADRM C[C@@H]1CN(C(=O)[C@]2(C)CCCS2(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC001599852925 1017642968 /nfs/dbraw/zinc/64/29/68/1017642968.db2.gz NZRWSGDKJGKGSF-PTRXPTGYSA-N -1 0 305.352 -0.346 20 0 DBADRM C[C@@H]1CN(C(=O)CNc2ccccc2C(N)=O)C[C@@H](C(=O)[O-])O1 ZINC001599853867 1017643211 /nfs/dbraw/zinc/64/32/11/1017643211.db2.gz ROKIFBFUSHUKCQ-SKDRFNHKSA-N -1 0 321.333 -0.102 20 0 DBADRM C[C@@H]1CN(C(=O)[C@@H]2CCc3nncn3CC2)C[C@@H](C(=O)[O-])O1 ZINC001599853527 1017643592 /nfs/dbraw/zinc/64/35/92/1017643592.db2.gz AMDZJZWADMIOBZ-MXWKQRLJSA-N -1 0 308.338 -0.069 20 0 DBADRM C[C@@H]1CN(C(=O)[C@](C)(O)Cn2ccccc2=O)C[C@@H](C(=O)[O-])O1 ZINC001599851685 1017643758 /nfs/dbraw/zinc/64/37/58/1017643758.db2.gz JACFDRBQZUXLFK-JRPNMDOOSA-N -1 0 324.333 -0.700 20 0 DBADRM C[C@@H]1CN(C(=O)c2c3n(c(=O)n2C)CCCC3)C[C@@H](C(=O)[O-])O1 ZINC001599862226 1017645511 /nfs/dbraw/zinc/64/55/11/1017645511.db2.gz YIESAOMMJJFEAI-KOLCDFICSA-N -1 0 323.349 -0.163 20 0 DBADRM C[C@@H]1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H]1CS(N)(=O)=O ZINC001599859110 1017645554 /nfs/dbraw/zinc/64/55/54/1017645554.db2.gz MYGMVHMCNOETQD-IMSYWVGJSA-N -1 0 319.383 -0.584 20 0 DBADRM C[C@@H]1CN(C(=O)NCc2nc3ncccn3n2)C[C@@H](C(=O)[O-])O1 ZINC001599858614 1017645759 /nfs/dbraw/zinc/64/57/59/1017645759.db2.gz RGHYMNSBAMHYHN-BDAKNGLRSA-N -1 0 320.309 -0.492 20 0 DBADRM C[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])n(C)n2)CCS1(=O)=O ZINC001599859130 1017646279 /nfs/dbraw/zinc/64/62/79/1017646279.db2.gz OPKFKTZPWRZCQD-SSDOTTSWSA-N -1 0 316.339 -0.231 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)C[C@H]2CN(C)CCO2)C[C@H]1C(=O)[O-] ZINC001599867862 1017647858 /nfs/dbraw/zinc/64/78/58/1017647858.db2.gz YEVCYUCAQWGEJD-GMTAPVOTSA-N -1 0 306.384 -0.701 20 0 DBADRM C[C@@H]1CN(c2nnnn2CCCN2CCOCC2)C[C@H]1C(=O)[O-] ZINC001599871789 1017647875 /nfs/dbraw/zinc/64/78/75/1017647875.db2.gz OXYWUGLZZVNJQA-VXGBXAGGSA-N -1 0 324.385 -0.448 20 0 DBADRM C[C@@H]1CN(c2nnnn2CC(=O)N2CCCCC2)C[C@H]1C(=O)[O-] ZINC001599870743 1017648432 /nfs/dbraw/zinc/64/84/32/1017648432.db2.gz BYHJDCBXIVFWDR-GHMZBOCLSA-N -1 0 322.369 -0.158 20 0 DBADRM C[C@@H]1CN(CN2C(=O)N[C@@](C)(C3CC3)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599866274 1017648556 /nfs/dbraw/zinc/64/85/56/1017648556.db2.gz XKHJENZRCKOZIV-YACGNSKGSA-N -1 0 311.338 -0.162 20 0 DBADRM C[C@@H]1CN(CN2C(=O)N[C@](C)(C3CC3)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599866273 1017648613 /nfs/dbraw/zinc/64/86/13/1017648613.db2.gz XKHJENZRCKOZIV-IPURGOFSSA-N -1 0 311.338 -0.162 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCC2N=NC(=S)N2C)O[C@H]1C(=O)[O-] ZINC001599876073 1017650622 /nfs/dbraw/zinc/65/06/22/1017650622.db2.gz OUUGCSGIGHSSTJ-ATRFCDNQSA-N -1 0 300.340 -0.402 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCC[C@@]2(O)CCCOC2)O[C@H]1C(=O)[O-] ZINC001599874665 1017650810 /nfs/dbraw/zinc/65/08/10/1017650810.db2.gz GWFIZDWFPNKFJU-BIAAXOCRSA-N -1 0 301.339 -0.088 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CCC[C@H]3CCNC(=O)[C@H]32)O[C@H]1C(=O)[O-] ZINC001599874852 1017651009 /nfs/dbraw/zinc/65/10/09/1017651009.db2.gz ROOWJVCUSXZMII-CSYMLDBXSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC001599883440 1017651843 /nfs/dbraw/zinc/65/18/43/1017651843.db2.gz SQTPYWWTYISROV-AWEZNQCLSA-N -1 0 317.305 -0.093 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)c1ccnn1C ZINC001599891031 1017651936 /nfs/dbraw/zinc/65/19/36/1017651936.db2.gz HDXCNXIVLNEUAS-MRVPVSSYSA-N -1 0 304.310 -0.439 20 0 DBADRM C[C@H](CO)N(C)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001599891355 1017652472 /nfs/dbraw/zinc/65/24/72/1017652472.db2.gz LWTXYHULPUYPTF-SECBINFHSA-N -1 0 310.306 -0.072 20 0 DBADRM C[C@@]12CN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])C[C@@H]1CS(=O)(=O)C2 ZINC001599883905 1017652850 /nfs/dbraw/zinc/65/28/50/1017652850.db2.gz BELCHEQRHRVFGD-COMAGPEQSA-N -1 0 301.364 -0.010 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)C1CCCC1 ZINC001599891082 1017652963 /nfs/dbraw/zinc/65/29/63/1017652963.db2.gz FUNBPLSDBXRKHL-DLOVCJGASA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@]12CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C[C@@]1(C)CS(=O)(=O)C2 ZINC001599884124 1017653007 /nfs/dbraw/zinc/65/30/07/1017653007.db2.gz ILPSSAQVYJUIMP-GAQJKIJGSA-N -1 0 301.364 -0.010 20 0 DBADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CCNC(=O)CO ZINC001599887349 1017653050 /nfs/dbraw/zinc/65/30/50/1017653050.db2.gz XXVLJLLFKMHLRI-LLVKDONJSA-N -1 0 308.334 -0.013 20 0 DBADRM C[C@]1(CO)CN(C(=O)NCCOCC(=O)[O-])C[C@@]1(C)CO ZINC001599884641 1017653087 /nfs/dbraw/zinc/65/30/87/1017653087.db2.gz YUFVAVSSBIEHIE-BETUJISGSA-N -1 0 304.343 -0.890 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001599887745 1017653278 /nfs/dbraw/zinc/65/32/78/1017653278.db2.gz VNQCVSJPOXZFAP-VSYUYLJXSA-N -1 0 307.306 -0.063 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H]1COC2(CCC2)C1)C(=O)[O-] ZINC001599896245 1017654253 /nfs/dbraw/zinc/65/42/53/1017654253.db2.gz JPZJFHVWSFAQMH-LPEHRKFASA-N -1 0 313.354 -0.025 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)CCc1ccc(=O)[nH]c1)C(=O)[O-] ZINC001599896319 1017654425 /nfs/dbraw/zinc/65/44/25/1017654425.db2.gz VEOXRPLZEIDFIV-IUCAKERBSA-N -1 0 309.322 -0.186 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)C(=O)NCC1CC1 ZINC001599892128 1017654785 /nfs/dbraw/zinc/65/47/85/1017654785.db2.gz XWUPSQAPPDSNGN-MRVPVSSYSA-N -1 0 321.337 -0.961 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H](CO)c1ccccc1)C(=O)[O-] ZINC001599895982 1017655519 /nfs/dbraw/zinc/65/55/19/1017655519.db2.gz FCINXVMSIUAKPD-JBLDHEPKSA-N -1 0 323.349 -0.003 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1C[C@H]2COC[C@@]2(C)C1)C(=O)[O-] ZINC001599898673 1017656383 /nfs/dbraw/zinc/65/63/83/1017656383.db2.gz YWIVPOZLFOYRET-RUMNANIHSA-N -1 0 313.354 -0.358 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H](CO)CC(F)F)C(=O)[O-] ZINC001599897242 1017656558 /nfs/dbraw/zinc/65/65/58/1017656558.db2.gz XCVCEAZWOXBMPZ-LYFYHCNISA-N -1 0 311.285 -0.721 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@H](CO)CC1CC1)C(=O)[O-] ZINC001599897099 1017656960 /nfs/dbraw/zinc/65/69/60/1017656960.db2.gz UWTBOCMILXPBOF-ATZCPNFKSA-N -1 0 315.370 -0.328 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCCC1CC(O)C1)C(=O)[O-] ZINC001599898012 1017657032 /nfs/dbraw/zinc/65/70/32/1017657032.db2.gz RLGDSQVZZCECDQ-DKEVHCRPSA-N -1 0 301.343 -0.576 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@H]1CCCOCC1)C(=O)[O-] ZINC001599897328 1017657043 /nfs/dbraw/zinc/65/70/43/1017657043.db2.gz YPKXYHHJRKXERI-GUBZILKMSA-N -1 0 301.343 -0.168 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCCC[C@@H]1CCO)C(=O)[O-] ZINC001599897749 1017657150 /nfs/dbraw/zinc/65/71/50/1017657150.db2.gz LYPSTNJYTAIHLN-GARJFASQSA-N -1 0 315.370 -0.089 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1C[C@H]2COC[C@]2(C)C1)C(=O)[O-] ZINC001599898672 1017657273 /nfs/dbraw/zinc/65/72/73/1017657273.db2.gz YWIVPOZLFOYRET-QSDJMHMYSA-N -1 0 313.354 -0.358 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cccc2[nH]c(=O)[nH]c21)C(=O)[O-] ZINC001599899758 1017658194 /nfs/dbraw/zinc/65/81/94/1017658194.db2.gz PZEYBZJXYDUQER-BQBZGAKWSA-N -1 0 320.305 -0.024 20 0 DBADRM C[C@H](O)C1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1 ZINC001599903668 1017659166 /nfs/dbraw/zinc/65/91/66/1017659166.db2.gz YZZJQTCTDAPRNI-CMPLNLGQSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001599902499 1017659260 /nfs/dbraw/zinc/65/92/60/1017659260.db2.gz BEMZUQKVIRBJEJ-NGZCFLSTSA-N -1 0 310.306 -0.166 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cnc(Cl)cn1)C(=O)[O-] ZINC001599899520 1017659463 /nfs/dbraw/zinc/65/94/63/1017659463.db2.gz YSRWRJZXIDHQCZ-WDSKDSINSA-N -1 0 300.702 -0.162 20 0 DBADRM C[C@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001599905583 1017659488 /nfs/dbraw/zinc/65/94/88/1017659488.db2.gz REWHOTBDVNLIIE-ZETCQYMHSA-N -1 0 302.308 -0.123 20 0 DBADRM C[C@H](NC(=O)c1ccco1)C(=O)OCCn1cc(C(=O)[O-])nn1 ZINC001599902607 1017659529 /nfs/dbraw/zinc/65/95/29/1017659529.db2.gz GSHXTKIXDHRHOV-QMMMGPOBSA-N -1 0 322.277 -0.069 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC2CC(F)(F)C2)C[C@@H](C(=O)[O-])O1 ZINC001599911171 1017660951 /nfs/dbraw/zinc/66/09/51/1017660951.db2.gz UFEBKIZGCUBRBA-XPUUQOCRSA-N -1 0 306.265 -0.399 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2nccn2C)C[C@@H](C(=O)[O-])O1 ZINC001599909410 1017661366 /nfs/dbraw/zinc/66/13/66/1017661366.db2.gz PDGOERDNXLQNEQ-UWVGGRQHSA-N -1 0 324.337 -0.921 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CCO1 ZINC001599910977 1017661580 /nfs/dbraw/zinc/66/15/80/1017661580.db2.gz NDKGTULIPCHJSG-PGUXBMHVSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CO)C2)C[C@]1(C)C(=O)[O-] ZINC001599910549 1017661650 /nfs/dbraw/zinc/66/16/50/1017661650.db2.gz YZVASNPLHXVRPL-RWSFTLGLSA-N -1 0 312.366 -0.214 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC001599911713 1017662599 /nfs/dbraw/zinc/66/25/99/1017662599.db2.gz GCEVQIZIMQSBQM-HBNTYKKESA-N -1 0 318.395 -0.020 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599914012 1017663279 /nfs/dbraw/zinc/66/32/79/1017663279.db2.gz VMFUKVATSPUFJI-AXFHLTTASA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@]2(C)CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599913566 1017663834 /nfs/dbraw/zinc/66/38/34/1017663834.db2.gz SAWPEARYOWVRDG-BHDSKKPTSA-N -1 0 314.338 -0.770 20 0 DBADRM C[C@H]1CN(C(=O)[C@H]2CCN=C3C2=NNN3C)CC[C@H]1C(=O)[O-] ZINC001599913980 1017663986 /nfs/dbraw/zinc/66/39/86/1017663986.db2.gz VUNFTUXGWOMMEV-AEJSXWLSSA-N -1 0 307.354 -0.220 20 0 DBADRM C[C@H]1CN(C(=O)[C@](C)(O)Cn2ccccc2=O)C[C@@H](C(=O)[O-])O1 ZINC001599911932 1017664064 /nfs/dbraw/zinc/66/40/64/1017664064.db2.gz JACFDRBQZUXLFK-ZIBATOQPSA-N -1 0 324.333 -0.700 20 0 DBADRM C[C@H]1CN(C(=O)c2ccccc2-n2cnnn2)C[C@@H](C(=O)[O-])O1 ZINC001599925176 1017665266 /nfs/dbraw/zinc/66/52/66/1017665266.db2.gz GNLUFUDNZGITLV-CABZTGNLSA-N -1 0 317.305 -0.024 20 0 DBADRM C[C@H]1CN(C(=S)NCCN2CCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001599927496 1017666298 /nfs/dbraw/zinc/66/62/98/1017666298.db2.gz WQAUYLPBDZJAIA-QWRGUYRKSA-N -1 0 317.411 -0.633 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@H]2COCCN2C)C[C@@H](C(=O)[O-])O1 ZINC001599920781 1017666341 /nfs/dbraw/zinc/66/63/41/1017666341.db2.gz QOAOFKZZWKHROY-DCAQKATOSA-N -1 0 301.343 -0.800 20 0 DBADRM C[C@@H]1CN(CCN(C)Cc2cn(CC(=O)[O-])nn2)C[C@H](C)O1 ZINC001599929555 1017667723 /nfs/dbraw/zinc/66/77/23/1017667723.db2.gz DFGJUAFOTRZEMQ-TXEJJXNPSA-N -1 0 311.386 -0.096 20 0 DBADRM C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599934516 1017668570 /nfs/dbraw/zinc/66/85/70/1017668570.db2.gz GIUYPMSRVWGCJL-CIUDSAMLSA-N -1 0 309.326 -0.556 20 0 DBADRM C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599931796 1017668582 /nfs/dbraw/zinc/66/85/82/1017668582.db2.gz NZQWPKWGISIKJM-WPRPVWTQSA-N -1 0 306.326 -0.106 20 0 DBADRM C[C@H]1CN(Cc2nc3c(c(=O)[nH]2)COCC3)C[C@@H](C(=O)[O-])O1 ZINC001599931473 1017668948 /nfs/dbraw/zinc/66/89/48/1017668948.db2.gz SEUBZBWARFKCCV-KWQFWETISA-N -1 0 309.322 -0.071 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001599941662 1017670954 /nfs/dbraw/zinc/67/09/54/1017670954.db2.gz WIWTZWZPWCWCSK-SNVBAGLBSA-N -1 0 321.293 -0.586 20 0 DBADRM Cc1nc[nH]c1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C[C@H]21 ZINC001599967497 1017671176 /nfs/dbraw/zinc/67/11/76/1017671176.db2.gz GTZBXBREPBPUEV-ULHKAFAUSA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1[nH]c(CN2CCN3[C@@H](CNS3(=O)=O)C2)cc1C(=O)[O-] ZINC001599962304 1017671505 /nfs/dbraw/zinc/67/15/05/1017671505.db2.gz GEKUTMZRHFOESW-JTQLQIEISA-N -1 0 314.367 -0.644 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599940323 1017671554 /nfs/dbraw/zinc/67/15/54/1017671554.db2.gz GGZSTHPQCJWDDB-BDAKNGLRSA-N -1 0 322.321 -0.573 20 0 DBADRM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599940353 1017671836 /nfs/dbraw/zinc/67/18/36/1017671836.db2.gz HMFWHOAAHGYWHS-SSDOTTSWSA-N -1 0 306.282 -0.199 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C)CCNS(C)(=O)=O ZINC001599957684 1017672095 /nfs/dbraw/zinc/67/20/95/1017672095.db2.gz VABYIPHVFRBUBC-UHFFFAOYSA-N -1 0 317.367 -0.315 20 0 DBADRM Cc1nc[nH]c1C(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001599967478 1017672210 /nfs/dbraw/zinc/67/22/10/1017672210.db2.gz GLFQFCNSWYKDHQ-SECBINFHSA-N -1 0 316.321 -0.045 20 0 DBADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1C(=O)N[C@]2(CCOC2)C1=O ZINC001599959335 1017672240 /nfs/dbraw/zinc/67/22/40/1017672240.db2.gz MDEFSFIRPMSOPN-AWEZNQCLSA-N -1 0 321.289 -0.085 20 0 DBADRM Cc1[nH]nc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1C ZINC001599968059 1017673383 /nfs/dbraw/zinc/67/33/83/1017673383.db2.gz JBJSLXYGNZWSOH-QMMMGPOBSA-N -1 0 301.324 -0.650 20 0 DBADRM Cc1nc[nH]c1CC(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001599968318 1017673563 /nfs/dbraw/zinc/67/35/63/1017673563.db2.gz RARPCPBTZVQHNT-QMMMGPOBSA-N -1 0 318.337 -0.212 20 0 DBADRM Cc1nc[nH]c1CC(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599968562 1017674292 /nfs/dbraw/zinc/67/42/92/1017674292.db2.gz YXGVUPYBEJAXPB-ZJUUUORDSA-N -1 0 306.322 -0.692 20 0 DBADRM Cc1c(C(=O)N2CCOC[C@H]2C(=O)[O-])nnn1-c1ccn(C)n1 ZINC001599976409 1017674401 /nfs/dbraw/zinc/67/44/01/1017674401.db2.gz HTVNWSXGFIWHIY-VIFPVBQESA-N -1 0 320.309 -0.765 20 0 DBADRM Cc1n[nH]cc1C(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001599969415 1017674450 /nfs/dbraw/zinc/67/44/50/1017674450.db2.gz VKSTYSJEFPYOQV-VIFPVBQESA-N -1 0 316.321 -0.045 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001599969351 1017674459 /nfs/dbraw/zinc/67/44/59/1017674459.db2.gz GXYWFAJHZFQGET-NSHDSACASA-N -1 0 313.339 -0.264 20 0 DBADRM Cc1nc[nH]c1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599967779 1017674463 /nfs/dbraw/zinc/67/44/63/1017674463.db2.gz OCKUEMINGULOOP-ZJUUUORDSA-N -1 0 306.322 -0.278 20 0 DBADRM Cc1nc[nH]c1CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001599968559 1017674913 /nfs/dbraw/zinc/67/49/13/1017674913.db2.gz YXGVUPYBEJAXPB-NXEZZACHSA-N -1 0 306.322 -0.692 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)N2C[C@H](O)C[C@H]2CO)n1C ZINC001599990421 1017676087 /nfs/dbraw/zinc/67/60/87/1017676087.db2.gz ZOSDSHZPCFTJNE-WDEREUQCSA-N -1 0 311.338 -0.331 20 0 DBADRM Cc1c(C(=O)[O-])sc2[nH]c(CN3CCNC(=O)C3)nc(=O)c12 ZINC001600005436 1017676091 /nfs/dbraw/zinc/67/60/91/1017676091.db2.gz RUTMSUWUAPAWSE-UHFFFAOYSA-N -1 0 322.346 -0.077 20 0 DBADRM Cc1c(C(=O)N[C@@H](C)CNc2ncc(C(=O)[O-])cn2)nnn1C ZINC001599981679 1017676181 /nfs/dbraw/zinc/67/61/81/1017676181.db2.gz KTNXCBYTPAXMPK-ZETCQYMHSA-N -1 0 319.325 -0.158 20 0 DBADRM Cc1c(C(=O)NCCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])nnn1C ZINC001599980912 1017676217 /nfs/dbraw/zinc/67/62/17/1017676217.db2.gz ZIWFVPBFOUNMKA-VHSXEESVSA-N -1 0 323.353 -0.577 20 0 DBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1C[C@H](O)C[C@H](O)C1 ZINC001599998769 1017676346 /nfs/dbraw/zinc/67/63/46/1017676346.db2.gz CUEINZKCFKDULS-AOOOYVTPSA-N -1 0 315.347 -0.191 20 0 DBADRM Cc1c(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cnn1C ZINC001599980437 1017676460 /nfs/dbraw/zinc/67/64/60/1017676460.db2.gz MBXSGWFLJWHJJA-NXEZZACHSA-N -1 0 308.338 -0.315 20 0 DBADRM Cc1c(C(=O)NC[C@@H](O)CC(=O)[O-])cnn1-c1ccc(=O)[nH]n1 ZINC001599980512 1017676841 /nfs/dbraw/zinc/67/68/41/1017676841.db2.gz UOEXRHHJMYLYIR-QMMMGPOBSA-N -1 0 321.293 -0.758 20 0 DBADRM Cc1c(C(=O)O[C@H](C)C(=O)C(=O)[O-])cccc1S(N)(=O)=O ZINC001600005103 1017677006 /nfs/dbraw/zinc/67/70/06/1017677006.db2.gz HOGNRVWRGMENGA-SSDOTTSWSA-N -1 0 315.303 -0.159 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC[C@@H](CO)C2)cnn1CC(=O)[O-] ZINC001600024999 1017678167 /nfs/dbraw/zinc/67/81/67/1017678167.db2.gz BOICXUADRFAHMC-SNVBAGLBSA-N -1 0 324.337 -0.554 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC[C@@H](O)C2)cnn1CC(=O)[O-] ZINC001600025330 1017678699 /nfs/dbraw/zinc/67/86/99/1017678699.db2.gz GKSQLUQYBPTJIH-SECBINFHSA-N -1 0 310.310 -0.802 20 0 DBADRM Cc1c(CC(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cnn1C ZINC001600010022 1017678839 /nfs/dbraw/zinc/67/88/39/1017678839.db2.gz VUXWMUZKBJNSAF-NEPJUHHUSA-N -1 0 320.349 -0.681 20 0 DBADRM Cc1c(NC(=O)N2CC(O)(C(N)=O)C2)ccc(F)c1C(=O)[O-] ZINC001600036277 1017679889 /nfs/dbraw/zinc/67/98/89/1017679889.db2.gz QKYOEBDYEMNVOM-UHFFFAOYSA-N -1 0 311.269 -0.104 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@@H]2CCOC[C@H]2C)cnn1CC(=O)[O-] ZINC001600029195 1017680023 /nfs/dbraw/zinc/68/00/23/1017680023.db2.gz YWSCCVLFNLLAJT-PSASIEDQSA-N -1 0 324.337 -0.244 20 0 DBADRM Cc1c(NC(=O)C(=O)NCCC(N)=O)ccc(F)c1C(=O)[O-] ZINC001600028858 1017680425 /nfs/dbraw/zinc/68/04/25/1017680425.db2.gz NASHGGIWXOEZDV-UHFFFAOYSA-N -1 0 311.269 -0.238 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@H]2CC[C@@H](O)C2)cnn1CC(=O)[O-] ZINC001600028180 1017680480 /nfs/dbraw/zinc/68/04/80/1017680480.db2.gz ZYOZTSIMCGTFTD-VHSXEESVSA-N -1 0 324.337 -0.508 20 0 DBADRM Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600060976 1017681541 /nfs/dbraw/zinc/68/15/41/1017681541.db2.gz SGTUJKSRFBDAKU-UTINFBMNSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600061057 1017681898 /nfs/dbraw/zinc/68/18/98/1017681898.db2.gz WTLGALLERRONFA-VHSXEESVSA-N -1 0 306.322 -0.373 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001600066499 1017681923 /nfs/dbraw/zinc/68/19/23/1017681923.db2.gz KDABMXAFISIQSE-AOOOYVTPSA-N -1 0 321.333 -0.046 20 0 DBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCC1(C(=O)[O-])CC1 ZINC001600066873 1017682102 /nfs/dbraw/zinc/68/21/02/1017682102.db2.gz SDMFFTDETYJNNT-UHFFFAOYSA-N -1 0 307.306 -0.387 20 0 DBADRM Cc1cc(=O)c(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)c[nH]1 ZINC001600066155 1017682478 /nfs/dbraw/zinc/68/24/78/1017682478.db2.gz ZUEBOVSTRPFZAW-LLVKDONJSA-N -1 0 308.290 -0.084 20 0 DBADRM Cc1cc(C(=O)N(C)CCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])n(C)n1 ZINC001600078133 1017682496 /nfs/dbraw/zinc/68/24/96/1017682496.db2.gz FKRVRXFGHSNFJU-QWRGUYRKSA-N -1 0 322.365 -0.020 20 0 DBADRM Cc1cc(C(=O)N[C@](C)(CO)C(=O)[O-])ccc1-n1cnnn1 ZINC001600086609 1017684339 /nfs/dbraw/zinc/68/43/39/1017684339.db2.gz IRBLPJRSROUBOF-CYBMUJFWSA-N -1 0 305.294 -0.464 20 0 DBADRM Cc1cc(C(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1C ZINC001600081532 1017684507 /nfs/dbraw/zinc/68/45/07/1017684507.db2.gz XJNOAWLZZZFPET-WDEREUQCSA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001600130479 1017685080 /nfs/dbraw/zinc/68/50/80/1017685080.db2.gz DXJOJPIQSZKJHL-OCAPTIKFSA-N -1 0 306.274 -0.027 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)n1 ZINC001600126645 1017685119 /nfs/dbraw/zinc/68/51/19/1017685119.db2.gz FLTJSCLLHBOVCJ-ZIAGYGMSSA-N -1 0 304.306 -0.028 20 0 DBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](C)C(N)=O)c1F ZINC001600112163 1017685148 /nfs/dbraw/zinc/68/51/48/1017685148.db2.gz RUBHLZDSTJKOGU-ZCFIWIBFSA-N -1 0 304.299 -0.016 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NC[C@@]1(O)CCOC1 ZINC001600117914 1017685157 /nfs/dbraw/zinc/68/51/57/1017685157.db2.gz UOGLENKMHXEHPS-HNNXBMFYSA-N -1 0 322.317 -0.101 20 0 DBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CC(C(N)=O)C2)c1F ZINC001600112465 1017685532 /nfs/dbraw/zinc/68/55/32/1017685532.db2.gz RIKPEMWQDUQNNT-UHFFFAOYSA-N -1 0 316.310 -0.062 20 0 DBADRM Cc1cc(C(=O)[O-])nc(N2CCN(CC(=O)N(C)C)CC2)n1 ZINC001600126008 1017685602 /nfs/dbraw/zinc/68/56/02/1017685602.db2.gz IAHOLPJEOGEDIZ-UHFFFAOYSA-N -1 0 307.354 -0.307 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001600130553 1017685731 /nfs/dbraw/zinc/68/57/31/1017685731.db2.gz JEGIZIJNSOZSID-ZETCQYMHSA-N -1 0 307.262 -0.338 20 0 DBADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC001600119019 1017686059 /nfs/dbraw/zinc/68/60/59/1017686059.db2.gz JIOMVIZCYLDMFO-PHIMTYICSA-N -1 0 322.317 -0.414 20 0 DBADRM Cc1cc(S(=O)(=O)NC[C@H]2COCCN2)oc1C(=O)[O-] ZINC001600298998 1017695768 /nfs/dbraw/zinc/69/57/68/1017695768.db2.gz PTNHLTWCAKDEGP-QMMMGPOBSA-N -1 0 304.324 -0.447 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001600130449 1017686165 /nfs/dbraw/zinc/68/61/65/1017686165.db2.gz CFUHSZDYLVWMFI-HNNXBMFYSA-N -1 0 324.333 -0.195 20 0 DBADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@H](CO)CN1CCOCC1 ZINC001600131128 1017686178 /nfs/dbraw/zinc/68/61/78/1017686178.db2.gz KYIIUMDOSQUBAX-JTQLQIEISA-N -1 0 312.322 -0.291 20 0 DBADRM Cc1cc(CC(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)no1 ZINC001600187250 1017687073 /nfs/dbraw/zinc/68/70/73/1017687073.db2.gz BJVZRVVGTNXVMA-VXGBXAGGSA-N -1 0 321.333 -0.179 20 0 DBADRM Cc1cc(CC(=O)N(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])[nH]n1 ZINC001600187655 1017687227 /nfs/dbraw/zinc/68/72/27/1017687227.db2.gz XHYBMIAJSFAJIT-QWRGUYRKSA-N -1 0 308.338 -0.444 20 0 DBADRM Cc1cc(C)n(CC(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600178469 1017687910 /nfs/dbraw/zinc/68/79/10/1017687910.db2.gz WDHGZKISQXTSMT-NWDGAFQWSA-N -1 0 320.349 -0.452 20 0 DBADRM Cc1cc(C)nc(N2CCN([C@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC001600181999 1017688036 /nfs/dbraw/zinc/68/80/36/1017688036.db2.gz UWYVKRCWLVIXKJ-GFCCVEGCSA-N -1 0 321.381 -0.195 20 0 DBADRM Cc1cc(C)c(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])c(C)n1 ZINC001600162128 1017688054 /nfs/dbraw/zinc/68/80/54/1017688054.db2.gz FKZMMWQBWKSAQB-SNVBAGLBSA-N -1 0 309.322 -0.103 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCc2cc(C)ncn2)c1C(=O)[O-] ZINC001600210824 1017689411 /nfs/dbraw/zinc/68/94/11/1017689411.db2.gz WKHODBUZDNELSJ-UHFFFAOYSA-N -1 0 311.323 -0.007 20 0 DBADRM Cc1cc(Cn2nnc(C(=O)NC[C@H](O)C(=O)[O-])c2C)on1 ZINC001600222481 1017689711 /nfs/dbraw/zinc/68/97/11/1017689711.db2.gz LZIXYWOZQAUMHT-VIFPVBQESA-N -1 0 309.282 -0.893 20 0 DBADRM Cc1cc(COC(=O)Cn2ccc(=O)n(C)c2=O)oc1C(=O)[O-] ZINC001600213896 1017689730 /nfs/dbraw/zinc/68/97/30/1017689730.db2.gz AWFRZXJUUIVNJF-UHFFFAOYSA-N -1 0 322.273 -0.110 20 0 DBADRM Cc1cc(C[S@](=O)CCc2cn(CC(=O)[O-])nn2)nn1C ZINC001600216108 1017689755 /nfs/dbraw/zinc/68/97/55/1017689755.db2.gz UKJKKRUSMCRZAZ-OAQYLSRUSA-N -1 0 311.367 -0.104 20 0 DBADRM Cc1cc(N2CC(=O)N(C)[C@H](C)C2)n2nc(C(=O)[O-])nc2n1 ZINC001600236645 1017689769 /nfs/dbraw/zinc/68/97/69/1017689769.db2.gz CCOYCQBUADBBRM-MRVPVSSYSA-N -1 0 304.310 -0.202 20 0 DBADRM Cc1cc(F)c(S(=O)(=O)N[C@H]2CCNC2=O)cc1C(=O)[O-] ZINC001600227683 1017689981 /nfs/dbraw/zinc/68/99/81/1017689981.db2.gz NZJABVODTBSSPU-VIFPVBQESA-N -1 0 316.310 -0.001 20 0 DBADRM Cc1cc(CN2CCN3[C@@H](CNS3(=O)=O)C2)oc1C(=O)[O-] ZINC001600194494 1017690142 /nfs/dbraw/zinc/69/01/42/1017690142.db2.gz KXPNYEMZEAPZGS-VIFPVBQESA-N -1 0 315.351 -0.380 20 0 DBADRM Cc1cc(C[C@H](C)NC(=O)NCCn2cc(C(=O)[O-])nn2)[nH]n1 ZINC001600188197 1017690588 /nfs/dbraw/zinc/69/05/88/1017690588.db2.gz CDZVRVQNRNZBKT-QMMMGPOBSA-N -1 0 321.341 -0.062 20 0 DBADRM Cc1cc(N2CCC(=O)N(C)CC2)n2nc(C(=O)[O-])nc2n1 ZINC001600238718 1017691292 /nfs/dbraw/zinc/69/12/92/1017691292.db2.gz NDCYGKZCKKVKLV-UHFFFAOYSA-N -1 0 304.310 -0.201 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@@](C)(O)CO)ccc1C(=O)[O-] ZINC001600247262 1017691611 /nfs/dbraw/zinc/69/16/11/1017691611.db2.gz QVQRDFCXSXUBMS-CQSZACIVSA-N -1 0 310.306 -0.509 20 0 DBADRM Cc1cc(N2CC(=O)N(C)C[C@@H]2C)n2nc(C(=O)[O-])nc2n1 ZINC001600237633 1017691798 /nfs/dbraw/zinc/69/17/98/1017691798.db2.gz VBWXUOMAYWEUSK-QMMMGPOBSA-N -1 0 304.310 -0.202 20 0 DBADRM Cc1cc(N2CCC(CO)(CO)C2)n2nc(C(=O)[O-])nc2n1 ZINC001600238276 1017692143 /nfs/dbraw/zinc/69/21/43/1017692143.db2.gz NTYPRZARGWXVJO-UHFFFAOYSA-N -1 0 307.310 -0.688 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])cn2ccnc12 ZINC001600248389 1017693524 /nfs/dbraw/zinc/69/35/24/1017693524.db2.gz HBWYVUZNOBIBEQ-JTQLQIEISA-N -1 0 320.305 -0.467 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001600284402 1017693746 /nfs/dbraw/zinc/69/37/46/1017693746.db2.gz KPFUVVGINIHCGF-QMTHXVAHSA-N -1 0 324.333 -0.142 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)Nc1cc(C(=O)[O-])nn1C ZINC001600284666 1017693855 /nfs/dbraw/zinc/69/38/55/1017693855.db2.gz RTVTVILYHLLFLV-UHFFFAOYSA-N -1 0 306.278 -0.067 20 0 DBADRM Cc1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)nc(C)c1C(=O)[O-] ZINC001600257431 1017693944 /nfs/dbraw/zinc/69/39/44/1017693944.db2.gz ULDKJHHUUVMTIN-ZETCQYMHSA-N -1 0 306.278 -0.067 20 0 DBADRM Cc1cc(NCCN(CCO)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])ncn1 ZINC001600280984 1017694030 /nfs/dbraw/zinc/69/40/30/1017694030.db2.gz NNLPXJNKNZCGFW-MNOVXSKESA-N -1 0 308.338 -0.261 20 0 DBADRM Cc1cc(NCCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])nc(CO)n1 ZINC001600281006 1017694361 /nfs/dbraw/zinc/69/43/61/1017694361.db2.gz OJYUHDUKXFOVKJ-VHSXEESVSA-N -1 0 308.338 -0.084 20 0 DBADRM Cc1cc(NC[C@@H]2COCCN2C)n2nc(C(=O)[O-])nc2n1 ZINC001600281057 1017694539 /nfs/dbraw/zinc/69/45/39/1017694539.db2.gz KYTCYLOHXUIWGP-SECBINFHSA-N -1 0 306.326 -0.127 20 0 DBADRM Cc1ccc(-n2cnnc2)c(C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC001600324130 1017695327 /nfs/dbraw/zinc/69/53/27/1017695327.db2.gz WAWMXPDWBBKZPA-UHFFFAOYSA-N -1 0 317.305 -0.494 20 0 DBADRM Cc1cc2c(cc1NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])OCO2 ZINC001600306010 1017695512 /nfs/dbraw/zinc/69/55/12/1017695512.db2.gz AAAXWEWMQPELPF-MRVPVSSYSA-N -1 0 324.289 -0.386 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)NCCSCC(=O)[O-] ZINC001600302360 1017695533 /nfs/dbraw/zinc/69/55/33/1017695533.db2.gz OKOGZVYAHBNLHZ-UHFFFAOYSA-N -1 0 322.364 -0.217 20 0 DBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N(C)CC(N)=O ZINC001600289933 1017695549 /nfs/dbraw/zinc/69/55/49/1017695549.db2.gz PMMOQYJTZYOQSM-UHFFFAOYSA-N -1 0 323.305 -0.659 20 0 DBADRM Cc1cc(S(=O)(=O)N(C)CCOCCO)oc1C(=O)[O-] ZINC001600292845 1017695610 /nfs/dbraw/zinc/69/56/10/1017695610.db2.gz OYLXQWCGGIMNOO-UHFFFAOYSA-N -1 0 307.324 -0.084 20 0 DBADRM Cc1cc(S(=O)(=O)N2CC[C@H](O)[C@H](CO)C2)oc1C(=O)[O-] ZINC001600294345 1017695730 /nfs/dbraw/zinc/69/57/30/1017695730.db2.gz BWDQTBNMVYNRCH-IUCAKERBSA-N -1 0 319.335 -0.350 20 0 DBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001600302196 1017696266 /nfs/dbraw/zinc/69/62/66/1017696266.db2.gz LKWMBJPVUIIINN-SSDOTTSWSA-N -1 0 318.307 -0.839 20 0 DBADRM Cc1cc(S(=O)(=O)N(C)[C@@H]2COC[C@H]2O)oc1C(=O)[O-] ZINC001600292885 1017696549 /nfs/dbraw/zinc/69/65/49/1017696549.db2.gz RUWSXBGKVREQKF-HTQZYQBOSA-N -1 0 305.308 -0.334 20 0 DBADRM Cc1ccc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nn1 ZINC001600330379 1017697268 /nfs/dbraw/zinc/69/72/68/1017697268.db2.gz JXEXSVGYDSHTED-NXEZZACHSA-N -1 0 306.322 -0.306 20 0 DBADRM Cc1ccc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c(=O)[nH]1 ZINC001600340063 1017697469 /nfs/dbraw/zinc/69/74/69/1017697469.db2.gz BFYDCZYLQHOCFY-NXEZZACHSA-N -1 0 307.306 -0.338 20 0 DBADRM Cc1ccc([C@H](NC(=O)Cn2nnc(N)n2)C(=O)[O-])cc1C ZINC001600382282 1017697490 /nfs/dbraw/zinc/69/74/90/1017697490.db2.gz KKGKMWZGPZCJDR-NSHDSACASA-N -1 0 304.310 -0.186 20 0 DBADRM Cc1ccc(C(=O)NCCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001600340884 1017697518 /nfs/dbraw/zinc/69/75/18/1017697518.db2.gz YTJQIGIIFJCXME-ZJUUUORDSA-N -1 0 306.322 -0.258 20 0 DBADRM Cc1ccc(C(=O)NCCN2C(=O)CNC2=O)cc1C(=O)[O-] ZINC001600340512 1017697688 /nfs/dbraw/zinc/69/76/88/1017697688.db2.gz HCMIVSOHCWHXIT-UHFFFAOYSA-N -1 0 305.290 -0.025 20 0 DBADRM Cc1ccc(C(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001600335852 1017697730 /nfs/dbraw/zinc/69/77/30/1017697730.db2.gz HQTDAGVKVLGZCL-VHSXEESVSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NN1CC(=O)NC1=O ZINC001600352246 1017697790 /nfs/dbraw/zinc/69/77/90/1017697790.db2.gz WRMVXXGWIYRWAN-UHFFFAOYSA-N -1 0 320.261 -0.785 20 0 DBADRM Cc1ccc(CCNC(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])cn1 ZINC001600407586 1017697814 /nfs/dbraw/zinc/69/78/14/1017697814.db2.gz ONMPVHKAXSNYEM-VXGBXAGGSA-N -1 0 305.334 -0.114 20 0 DBADRM Cc1ccc([C@H](CNC(=O)CN2CCNCC2=O)C(=O)[O-])cc1 ZINC001600376153 1017697850 /nfs/dbraw/zinc/69/78/50/1017697850.db2.gz MTAYFONSZHKIGS-ZDUSSCGKSA-N -1 0 319.361 -0.289 20 0 DBADRM Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)nc1 ZINC001600415165 1017698332 /nfs/dbraw/zinc/69/83/32/1017698332.db2.gz FCCJRWPMKHFBMY-LBPRGKRZSA-N -1 0 321.333 -0.292 20 0 DBADRM Cc1ccc(CCNC(=O)C(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001600407551 1017698351 /nfs/dbraw/zinc/69/83/51/1017698351.db2.gz LVAVYCSVNCUDDR-UHFFFAOYSA-N -1 0 306.318 -0.688 20 0 DBADRM Cc1ccc(C(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001600335853 1017698418 /nfs/dbraw/zinc/69/84/18/1017698418.db2.gz HQTDAGVKVLGZCL-ZJUUUORDSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001600336372 1017698500 /nfs/dbraw/zinc/69/85/00/1017698500.db2.gz LMPSQYWRVMVFSI-VHSXEESVSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1ccc2c(c1)N(C(=O)C(=O)N1CC[C@@](O)(C(=O)[O-])C1)CC2 ZINC001600495059 1017699419 /nfs/dbraw/zinc/69/94/19/1017699419.db2.gz IHLSMCHHHKJYAZ-INIZCTEOSA-N -1 0 318.329 -0.068 20 0 DBADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](CF)C(=O)[O-] ZINC001600483968 1017699533 /nfs/dbraw/zinc/69/95/33/1017699533.db2.gz IJOGWEFXAYBBRB-SECBINFHSA-N -1 0 304.299 -0.205 20 0 DBADRM Cc1ccc(CNC(=O)NCC(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001600417127 1017699555 /nfs/dbraw/zinc/69/95/55/1017699555.db2.gz VFPDXOJVDINOET-UHFFFAOYSA-N -1 0 321.333 -0.548 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cn1 ZINC001600477500 1017699670 /nfs/dbraw/zinc/69/96/70/1017699670.db2.gz TUEIMRARUPLMEA-WDEREUQCSA-N -1 0 300.336 -0.011 20 0 DBADRM Cc1ccc2ncc(C(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])c(=O)n2c1 ZINC001600503288 1017699896 /nfs/dbraw/zinc/69/98/96/1017699896.db2.gz AJFPNKRGHJZTBD-MWLCHTKSSA-N -1 0 317.301 -0.337 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)c(=O)[nH]1 ZINC001600440228 1017699933 /nfs/dbraw/zinc/69/99/33/1017699933.db2.gz PCFWAYJYOQSRAJ-WPRPVWTQSA-N -1 0 323.305 -0.265 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N(C)C[C@H](O)CO)c(C(=O)[O-])c1 ZINC001600438795 1017700034 /nfs/dbraw/zinc/70/00/34/1017700034.db2.gz WCKUCTWFURTAED-VIFPVBQESA-N -1 0 310.306 -0.557 20 0 DBADRM Cc1ccc(S(N)(=O)=O)c(C(=O)O[C@@H](C)C(=O)C(=O)[O-])c1 ZINC001600483935 1017700097 /nfs/dbraw/zinc/70/00/97/1017700097.db2.gz GSHSXGUTSBLTKB-ZETCQYMHSA-N -1 0 315.303 -0.159 20 0 DBADRM Cc1ccc(NC(=O)C(=O)NCc2nnn(C)n2)cc1C(=O)[O-] ZINC001600441504 1017700500 /nfs/dbraw/zinc/70/05/00/1017700500.db2.gz FISUOFQOHZWOTN-UHFFFAOYSA-N -1 0 318.293 -0.528 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)N[C@H](CF)C(=O)[O-])c(=O)c1 ZINC001600595151 1017700741 /nfs/dbraw/zinc/70/07/41/1017700741.db2.gz HMCBJLQGLXKBBO-RNCFNFMXSA-N -1 0 300.286 -0.553 20 0 DBADRM Cc1ccn(CC(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])n1 ZINC001600595720 1017700820 /nfs/dbraw/zinc/70/08/20/1017700820.db2.gz VKSRPPHHTVTGGR-JTQLQIEISA-N -1 0 315.351 -0.708 20 0 DBADRM Cc1ccn([C@@H](C)CC(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])n1 ZINC001600594585 1017700879 /nfs/dbraw/zinc/70/08/79/1017700879.db2.gz GFFQKUNYUVAZQJ-QWRGUYRKSA-N -1 0 308.338 -0.104 20 0 DBADRM Cc1ccn(CC(=O)N[C@H](Cn2cncn2)C(=O)[O-])c(=O)c1 ZINC001600595132 1017701000 /nfs/dbraw/zinc/70/10/00/1017701000.db2.gz GGTOUQBZEOHVGZ-SNVBAGLBSA-N -1 0 305.294 -0.982 20 0 DBADRM Cc1ccn(CC(=O)NC/C=C\CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600595160 1017701352 /nfs/dbraw/zinc/70/13/52/1017701352.db2.gz HZQBLIXLHOTNHG-DQOJRVPBSA-N -1 0 320.349 -0.299 20 0 DBADRM Cc1ccn([C@@H](C)CC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])n1 ZINC001600594586 1017701426 /nfs/dbraw/zinc/70/14/26/1017701426.db2.gz GFFQKUNYUVAZQJ-WDEREUQCSA-N -1 0 308.338 -0.104 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC001600594629 1017701459 /nfs/dbraw/zinc/70/14/59/1017701459.db2.gz IEUYIHKIIRBVCK-UHFFFAOYSA-N -1 0 319.317 -0.292 20 0 DBADRM C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001498261673 1017701524 /nfs/dbraw/zinc/70/15/24/1017701524.db2.gz HZLZHBUBLFDEFR-DTWKUNHWSA-N -1 0 323.353 -0.579 20 0 DBADRM Cc1ccn(CC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c(=O)c1 ZINC001600595714 1017701690 /nfs/dbraw/zinc/70/16/90/1017701690.db2.gz VFYZDJNMOWTFAA-CQSZACIVSA-N -1 0 308.334 -0.159 20 0 DBADRM Cc1ccccc1[C@H](C(=O)[O-])N1CCN(S(N)(=O)=O)CC1 ZINC001600568450 1017701914 /nfs/dbraw/zinc/70/19/14/1017701914.db2.gz QAXPWNMNRKPXGH-GFCCVEGCSA-N -1 0 313.379 -0.058 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001600595651 1017702115 /nfs/dbraw/zinc/70/21/15/1017702115.db2.gz LPRHRZFVTSXERD-SNVBAGLBSA-N -1 0 321.333 -0.045 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NC1CC(C(=O)[O-])C1 ZINC001600509814 1017702224 /nfs/dbraw/zinc/70/22/24/1017702224.db2.gz LYEXQCOAXAXNHA-QKFMDRJYSA-N -1 0 308.334 -0.113 20 0 DBADRM Cc1ccccc1CNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001600581096 1017702473 /nfs/dbraw/zinc/70/24/73/1017702473.db2.gz RDZZVZHSUYGLKF-OLZOCXBDSA-N -1 0 320.345 -0.095 20 0 DBADRM Cc1ccnc(C(=O)N(C)C2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600597810 1017702953 /nfs/dbraw/zinc/70/29/53/1017702953.db2.gz RZOOYBKRPYSBCT-WDEREUQCSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1ccnn1CC(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600608052 1017703412 /nfs/dbraw/zinc/70/34/12/1017703412.db2.gz VGQGCPUVBLWYBM-RYUDHWBXSA-N -1 0 320.349 -0.419 20 0 DBADRM Cc1ccnn1CC(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600606130 1017703416 /nfs/dbraw/zinc/70/34/16/1017703416.db2.gz NCZYYYRQTRHREN-QWRGUYRKSA-N -1 0 306.322 -0.761 20 0 DBADRM Cc1ccn(C[C@@](C)(O)C(=O)NCC2(C(=O)[O-])CC2)c(=O)c1 ZINC001600598298 1017703470 /nfs/dbraw/zinc/70/34/70/1017703470.db2.gz MHJNMUCEAMIZPU-CQSZACIVSA-N -1 0 308.334 -0.111 20 0 DBADRM Cc1cn(C)nc1C(=O)NCCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001600611283 1017703708 /nfs/dbraw/zinc/70/37/08/1017703708.db2.gz FDLXMRAMZKORML-UWVGGRQHSA-N -1 0 308.338 -0.315 20 0 DBADRM Cc1ccn(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600595850 1017704033 /nfs/dbraw/zinc/70/40/33/1017704033.db2.gz ZHSCMTUWRKTBKU-FIQHERPVSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1ccncc1CN1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600605629 1017704177 /nfs/dbraw/zinc/70/41/77/1017704177.db2.gz XJIMTZHDGAMDCV-QWHCGFSZSA-N -1 0 319.361 -0.226 20 0 DBADRM Cc1cn(C)nc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600611207 1017704214 /nfs/dbraw/zinc/70/42/14/1017704214.db2.gz BLNZIOFXNJYMHD-LMLFDSFASA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1cnc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)o1 ZINC001600615972 1017704796 /nfs/dbraw/zinc/70/47/96/1017704796.db2.gz FKLVPPGWTBMSOD-CQSZACIVSA-N -1 0 309.322 -0.015 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)NC[C@H](F)C(=O)[O-] ZINC001600625056 1017704939 /nfs/dbraw/zinc/70/49/39/1017704939.db2.gz NARTXDPDDHEXBO-LURJTMIESA-N -1 0 305.287 -0.659 20 0 DBADRM Cc1cnc(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)s1 ZINC001600624328 1017704968 /nfs/dbraw/zinc/70/49/68/1017704968.db2.gz RQVMYDILSDXLNJ-JGVFFNPUSA-N -1 0 313.335 -0.316 20 0 DBADRM Cc1cn2c(ncc(C(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])c2=O)s1 ZINC001600613517 1017704990 /nfs/dbraw/zinc/70/49/90/1017704990.db2.gz GHPLOQLEFYEDOQ-VXNVDRBHSA-N -1 0 323.330 -0.276 20 0 DBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CC(C)(C(=O)[O-])C1 ZINC001600626617 1017705542 /nfs/dbraw/zinc/70/55/42/1017705542.db2.gz YQXBOUFBQIZKIH-UHFFFAOYSA-N -1 0 313.335 -0.265 20 0 DBADRM Cc1cnc(COCC(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])o1 ZINC001600621854 1017705597 /nfs/dbraw/zinc/70/55/97/1017705597.db2.gz VMIWOTBJCUGJST-VIFPVBQESA-N -1 0 311.294 -0.747 20 0 DBADRM Cc1cn2nc(C(=O)NC3(C(=O)[O-])CC(CO)C3)cc2c(=O)[nH]1 ZINC001600614893 1017705772 /nfs/dbraw/zinc/70/57/72/1017705772.db2.gz KYGRCKQSOVEHRF-UHFFFAOYSA-N -1 0 320.305 -0.713 20 0 DBADRM Cc1cncc(CCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)n1 ZINC001600628724 1017706478 /nfs/dbraw/zinc/70/64/78/1017706478.db2.gz PMQDAJZWLFAGES-JQWIXIFHSA-N -1 0 320.349 -0.235 20 0 DBADRM Cc1cncn1CC(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600631886 1017706576 /nfs/dbraw/zinc/70/65/76/1017706576.db2.gz GBRXENDOUWPRHK-RYUDHWBXSA-N -1 0 320.349 -0.419 20 0 DBADRM Cc1cncn1CC(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600631885 1017707042 /nfs/dbraw/zinc/70/70/42/1017707042.db2.gz GBRXENDOUWPRHK-NWDGAFQWSA-N -1 0 320.349 -0.419 20 0 DBADRM Cc1cncc(CCNC(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001600628679 1017707300 /nfs/dbraw/zinc/70/73/00/1017707300.db2.gz MIZDUCYEWZOJIO-UHFFFAOYSA-N -1 0 319.325 -0.383 20 0 DBADRM Cc1cncn1CC(=O)NCCN(C)c1ncc(C(=O)[O-])cn1 ZINC001600633443 1017707420 /nfs/dbraw/zinc/70/74/20/1017707420.db2.gz ZOIAILUMVGXEDC-UHFFFAOYSA-N -1 0 318.337 -0.068 20 0 DBADRM Cc1cncc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1 ZINC001600628150 1017707885 /nfs/dbraw/zinc/70/78/85/1017707885.db2.gz ZREAETNJSJLYSG-WDEREUQCSA-N -1 0 307.306 -0.235 20 0 DBADRM Cc1cnccc1CNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001600629802 1017708120 /nfs/dbraw/zinc/70/81/20/1017708120.db2.gz HMADSGPCTVOYSP-VXGBXAGGSA-N -1 0 321.333 -0.700 20 0 DBADRM Cc1cnn(C)c1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600635022 1017708134 /nfs/dbraw/zinc/70/81/34/1017708134.db2.gz AWHBWEGAOQNALD-MNOVXSKESA-N -1 0 320.349 -0.268 20 0 DBADRM Cc1conc1C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001600644157 1017708811 /nfs/dbraw/zinc/70/88/11/1017708811.db2.gz RTCCZSSOTVCGLH-YUMQZZPRSA-N -1 0 322.277 -0.797 20 0 DBADRM Cc1cocc1C(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600643306 1017708876 /nfs/dbraw/zinc/70/88/76/1017708876.db2.gz CUKUTGDXJOVSBY-WDEREUQCSA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1conc1C(=O)NC[C@@H](O)CNc1ccnc(C(=O)[O-])n1 ZINC001600643129 1017708972 /nfs/dbraw/zinc/70/89/72/1017708972.db2.gz DNZAKHRPKOVHDU-QMMMGPOBSA-N -1 0 321.293 -0.904 20 0 DBADRM Cc1conc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C[C@H]21 ZINC001600644806 1017709186 /nfs/dbraw/zinc/70/91/86/1017709186.db2.gz BYYZCOLGVWJOJE-KUNJHIDRSA-N -1 0 319.317 -0.110 20 0 DBADRM Cc1conc1CS(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001600644901 1017709204 /nfs/dbraw/zinc/70/92/04/1017709204.db2.gz IGKIPRURUNKJHO-LLVKDONJSA-N -1 0 318.351 -0.030 20 0 DBADRM Cc1cnn(CC(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001600637962 1017709238 /nfs/dbraw/zinc/70/92/38/1017709238.db2.gz XGDCPDIKPLDWPM-NEPJUHHUSA-N -1 0 320.349 -0.419 20 0 DBADRM Cc1conc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C[C@H]21 ZINC001600644809 1017709584 /nfs/dbraw/zinc/70/95/84/1017709584.db2.gz BYYZCOLGVWJOJE-ULHKAFAUSA-N -1 0 319.317 -0.110 20 0 DBADRM Cc1csc(C(=O)[O-])c1NC(=O)C(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC001600649208 1017709711 /nfs/dbraw/zinc/70/97/11/1017709711.db2.gz HRFUJTTVMKQKBR-KNVOCYPGSA-N -1 0 314.319 -0.743 20 0 DBADRM Cc1nnc(CC(=O)NCCNc2ncc(C(=O)[O-])cn2)[nH]1 ZINC001600670891 1017710613 /nfs/dbraw/zinc/71/06/13/1017710613.db2.gz BDINXTASVFOUFJ-UHFFFAOYSA-N -1 0 305.298 -0.628 20 0 DBADRM Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001600667451 1017711112 /nfs/dbraw/zinc/71/11/12/1017711112.db2.gz TZPULVIMNIXHIK-XVKPBYJWSA-N -1 0 308.338 -0.068 20 0 DBADRM CC[C@@H](C)C(=O)N1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001498282363 1017712676 /nfs/dbraw/zinc/71/26/76/1017712676.db2.gz MZQLQHNSVGVBKN-MRVPVSSYSA-N -1 0 323.353 -0.412 20 0 DBADRM Cc1n[nH]cc1CNC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001600675281 1017713048 /nfs/dbraw/zinc/71/30/48/1017713048.db2.gz ZHXQNYNMYMTCSD-UHFFFAOYSA-N -1 0 320.309 -0.437 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]1 ZINC001600671528 1017713241 /nfs/dbraw/zinc/71/32/41/1017713241.db2.gz MASSPFVPCSSMII-QCLAVDOMSA-N -1 0 321.337 -0.860 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)c1C(=O)[O-] ZINC001600672265 1017713554 /nfs/dbraw/zinc/71/35/54/1017713554.db2.gz BIUMRPUVKQXKKU-SSDOTTSWSA-N -1 0 316.339 -0.685 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCCN2CCOCC2)c1C(=O)[O-] ZINC001600673731 1017714180 /nfs/dbraw/zinc/71/41/80/1017714180.db2.gz MLSBRZPGXZZYCX-UHFFFAOYSA-N -1 0 318.355 -0.973 20 0 DBADRM Cc1nc(SCC(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])n[nH]1 ZINC001600675248 1017714289 /nfs/dbraw/zinc/71/42/89/1017714289.db2.gz PWAGPFWITAAOAC-IONNQARKSA-N -1 0 300.340 -0.358 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CCn3ncnc3C2)c1C(=O)[O-] ZINC001600672765 1017714349 /nfs/dbraw/zinc/71/43/49/1017714349.db2.gz JYEAYRLIMAQNIB-UHFFFAOYSA-N -1 0 312.311 -0.788 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@H]2CC[C@H](O)C2)c1C(=O)[O-] ZINC001600673572 1017714515 /nfs/dbraw/zinc/71/45/15/1017714515.db2.gz KELIDSHDOHJMGC-YUMQZZPRSA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1nc(SCC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n[nH]1 ZINC001600674131 1017714625 /nfs/dbraw/zinc/71/46/25/1017714625.db2.gz BNIAMKBGQMFWBW-YUMQZZPRSA-N -1 0 300.340 -0.501 20 0 DBADRM Cc1nc(N2CCN([C@@H]3CCN(CCC(=O)[O-])C3=O)CC2)n[nH]1 ZINC001600672100 1017714651 /nfs/dbraw/zinc/71/46/51/1017714651.db2.gz RFLINSJCMBJQFN-LLVKDONJSA-N -1 0 322.369 -0.689 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N[C@@H](CCO)C2CC2)c1C(=O)[O-] ZINC001600672228 1017714882 /nfs/dbraw/zinc/71/48/82/1017714882.db2.gz ASBKDHWMEPHVQE-QMMMGPOBSA-N -1 0 303.340 -0.144 20 0 DBADRM Cc1nc(SCC(=O)N[C@H](CC2OCCO2)C(=O)[O-])n[nH]1 ZINC001600674634 1017715221 /nfs/dbraw/zinc/71/52/21/1017715221.db2.gz HYGDWLLYWACRAK-SSDOTTSWSA-N -1 0 316.339 -0.462 20 0 DBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C[C@](C)(O)C1CC1 ZINC001498287951 1017716120 /nfs/dbraw/zinc/71/61/20/1017716120.db2.gz ZZZUXSUZNIBDJT-OTYXRUKQSA-N -1 0 311.386 -0.002 20 0 DBADRM Cc1nc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c[nH]1 ZINC001600682054 1017716014 /nfs/dbraw/zinc/71/60/14/1017716014.db2.gz DQWSXXILHMJIDI-ZJUUUORDSA-N -1 0 306.322 -0.278 20 0 DBADRM Cc1nc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)co1 ZINC001600682350 1017716181 /nfs/dbraw/zinc/71/61/81/1017716181.db2.gz JHNIZIYHKPNBBT-VHSXEESVSA-N -1 0 307.306 -0.012 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@H](C)CN(C)c1ncc(C(=O)[O-])cn1 ZINC001600675626 1017716496 /nfs/dbraw/zinc/71/64/96/1017716496.db2.gz JYHJCTBWSAGGHA-SSDOTTSWSA-N -1 0 319.325 -0.144 20 0 DBADRM Cc1nc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c(C)o1 ZINC001600683899 1017716837 /nfs/dbraw/zinc/71/68/37/1017716837.db2.gz LKHKEAKRUJYZHQ-ZJUUUORDSA-N -1 0 307.306 -0.047 20 0 DBADRM Cc1nc(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)nn1-c1nc[nH]n1 ZINC001600681900 1017716897 /nfs/dbraw/zinc/71/68/97/1017716897.db2.gz APVVOCJIBSBKGR-XPUUQOCRSA-N -1 0 321.297 -0.992 20 0 DBADRM Cc1nc(C(=O)NC[C@@H](O)CNc2ccnc(C(=O)[O-])n2)co1 ZINC001600684222 1017716928 /nfs/dbraw/zinc/71/69/28/1017716928.db2.gz TXMFFLIUMMAYGI-QMMMGPOBSA-N -1 0 321.293 -0.904 20 0 DBADRM Cc1nn[nH]c1C(=O)NCCCNc1ccnc(C(=O)[O-])n1 ZINC001600675698 1017717314 /nfs/dbraw/zinc/71/73/14/1017717314.db2.gz NSDWHCCIFQSOEC-UHFFFAOYSA-N -1 0 305.298 -0.745 20 0 DBADRM Cc1nc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)co1 ZINC001600683523 1017717326 /nfs/dbraw/zinc/71/73/26/1017717326.db2.gz QFVVFEPNOFTQFJ-NXEZZACHSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001600675554 1017717346 /nfs/dbraw/zinc/71/73/46/1017717346.db2.gz FSGFSMRWTBTDHJ-SECBINFHSA-N -1 0 317.309 -0.390 20 0 DBADRM Cc1nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(=O)[O-])c[nH]1 ZINC001600682453 1017717386 /nfs/dbraw/zinc/71/73/86/1017717386.db2.gz NNMHIEOYFRXULO-KUNJHIDRSA-N -1 0 318.333 -0.375 20 0 DBADRM Cc1nc(CS(=O)(=O)N[C@@]2(CC(=O)[O-])CCCOC2)no1 ZINC001600703947 1017718022 /nfs/dbraw/zinc/71/80/22/1017718022.db2.gz ATHQGJUAQALTPW-LLVKDONJSA-N -1 0 319.339 -0.179 20 0 DBADRM Cc1nnc(CCNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)[nH]1 ZINC001600698989 1017718069 /nfs/dbraw/zinc/71/80/69/1017718069.db2.gz QGXVPSZNIFXITN-VIFPVBQESA-N -1 0 309.326 -0.905 20 0 DBADRM Cc1nc(CNS(=O)(=O)C[C@H](C)C(=O)[O-])sc1C(N)=O ZINC001600701642 1017718335 /nfs/dbraw/zinc/71/83/35/1017718335.db2.gz HGSSKODFSWJBFF-YFKPBYRVSA-N -1 0 321.380 -0.309 20 0 DBADRM Cc1nc(=NS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])n(C)[nH]1 ZINC001600716927 1017718706 /nfs/dbraw/zinc/71/87/06/1017718706.db2.gz GFKQFJMCCKRCNA-UHFFFAOYSA-N -1 0 300.300 -0.924 20 0 DBADRM Cc1nc(NC(=O)C(=O)NC[C@@H](O)CC(=O)[O-])sc1C ZINC001600710782 1017718985 /nfs/dbraw/zinc/71/89/85/1017718985.db2.gz QLHGRNRLQSVUMC-ZETCQYMHSA-N -1 0 301.324 -0.350 20 0 DBADRM Cc1ncc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])n1C ZINC001600734008 1017720327 /nfs/dbraw/zinc/72/03/27/1017720327.db2.gz PFAGZUUPDJDSDB-NXEZZACHSA-N -1 0 308.338 -0.363 20 0 DBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCCOCC(=O)[O-] ZINC001600723474 1017720836 /nfs/dbraw/zinc/72/08/36/1017720836.db2.gz UZXZTTKZGXSZPL-UHFFFAOYSA-N -1 0 322.321 -0.188 20 0 DBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@H](CO)C(=O)[O-] ZINC001600722476 1017721044 /nfs/dbraw/zinc/72/10/44/1017721044.db2.gz HFISPJXLTRSSHS-SECBINFHSA-N -1 0 308.294 -0.844 20 0 DBADRM Cc1nc2ncnn2c(NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1C ZINC001600731495 1017721447 /nfs/dbraw/zinc/72/14/47/1017721447.db2.gz RPTSGZONDMLDBW-NXEZZACHSA-N -1 0 318.337 -0.010 20 0 DBADRM Cc1ncc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c(N)n1 ZINC001600733948 1017721586 /nfs/dbraw/zinc/72/15/86/1017721586.db2.gz YHKYMKINNJMAJE-QMMMGPOBSA-N -1 0 317.309 -0.256 20 0 DBADRM Cc1ncc(CC(=O)N2CC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001600736455 1017722321 /nfs/dbraw/zinc/72/23/21/1017722321.db2.gz PGKXSVHUQBTYNQ-NWDGAFQWSA-N -1 0 321.333 -0.085 20 0 DBADRM Cc1nccc(C(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])n1 ZINC001600749264 1017722643 /nfs/dbraw/zinc/72/26/43/1017722643.db2.gz YLXKFOQITVJEJQ-UHFFFAOYSA-N -1 0 307.266 -0.170 20 0 DBADRM Cc1ncc(S(=O)(=O)NCCn2cnnn2)cc1C(=O)[O-] ZINC001600746898 1017722649 /nfs/dbraw/zinc/72/26/49/1017722649.db2.gz ABCSYEMWEGYKRJ-UHFFFAOYSA-N -1 0 312.311 -0.947 20 0 DBADRM Cc1ncc(CC(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001600736454 1017722999 /nfs/dbraw/zinc/72/29/99/1017722999.db2.gz PGKXSVHUQBTYNQ-NEPJUHHUSA-N -1 0 321.333 -0.085 20 0 DBADRM Cc1nccc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600749047 1017723279 /nfs/dbraw/zinc/72/32/79/1017723279.db2.gz HPXQHFYSXXOENA-MNOVXSKESA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1nccnc1CCNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001600756071 1017724052 /nfs/dbraw/zinc/72/40/52/1017724052.db2.gz OBGDINROJKZCNW-UWVGGRQHSA-N -1 0 323.353 -0.395 20 0 DBADRM Cc1ncoc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600758867 1017724260 /nfs/dbraw/zinc/72/42/60/1017724260.db2.gz GOMYRATZWBGADH-BDAKNGLRSA-N -1 0 323.305 -0.993 20 0 DBADRM Cc1nccn1CCc1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1C ZINC001600756560 1017724395 /nfs/dbraw/zinc/72/43/95/1017724395.db2.gz IBCGGOUQVIOVON-LLVKDONJSA-N -1 0 320.353 -0.147 20 0 DBADRM Cc1nccc(CNC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC001600750783 1017724479 /nfs/dbraw/zinc/72/44/79/1017724479.db2.gz PHAYAODHOMRGMU-LLVKDONJSA-N -1 0 322.321 -0.897 20 0 DBADRM Cc1ncncc1C(=O)NCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600758211 1017725424 /nfs/dbraw/zinc/72/54/24/1017725424.db2.gz DCXKBKPSJZXXIL-ZJUUUORDSA-N -1 0 306.322 -0.306 20 0 DBADRM Cc1ncncc1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600758641 1017725583 /nfs/dbraw/zinc/72/55/83/1017725583.db2.gz SVKBZPIQUCUGGX-UWVGGRQHSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001600767188 1017726986 /nfs/dbraw/zinc/72/69/86/1017726986.db2.gz FYZVYWBBGBAOIW-VIFPVBQESA-N -1 0 307.310 -0.520 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001600770943 1017727030 /nfs/dbraw/zinc/72/70/30/1017727030.db2.gz QUJWHIAVKBWMLA-GWCFXTLKSA-N -1 0 310.354 -0.115 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001600769255 1017727370 /nfs/dbraw/zinc/72/73/70/1017727370.db2.gz RDNVMGQLQREJLQ-LDYMZIIASA-N -1 0 322.365 -0.106 20 0 DBADRM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001600769038 1017727489 /nfs/dbraw/zinc/72/74/89/1017727489.db2.gz KIRLVTOPGGHKBG-LDYMZIIASA-N -1 0 322.365 -0.058 20 0 DBADRM Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001600771799 1017727543 /nfs/dbraw/zinc/72/75/43/1017727543.db2.gz WZCXACWXIXLKJJ-NSHDSACASA-N -1 0 322.365 -0.024 20 0 DBADRM Cc1nn(C)cc1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600775731 1017728165 /nfs/dbraw/zinc/72/81/65/1017728165.db2.gz AQJRWPWNLQQBTH-VHSXEESVSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001600777306 1017728175 /nfs/dbraw/zinc/72/81/75/1017728175.db2.gz CCHXWGCWLPZGJQ-NSHDSACASA-N -1 0 317.367 -0.425 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C1 ZINC001600778550 1017728380 /nfs/dbraw/zinc/72/83/80/1017728380.db2.gz TZGIHDUDIXIISY-GGVZMXCHSA-N -1 0 310.310 -0.828 20 0 DBADRM Cc1nn(C)cc1C(=O)NCC1(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600775896 1017728472 /nfs/dbraw/zinc/72/84/72/1017728472.db2.gz FGPKGMONRODNLQ-UWVGGRQHSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001600777533 1017728967 /nfs/dbraw/zinc/72/89/67/1017728967.db2.gz KKJPPLGHJLSDRT-CBAPKCEASA-N -1 0 303.340 -0.409 20 0 DBADRM Cc1nn(C)c(NC(=O)[C@H]2CCS(=O)(=O)C2)c1C(=O)[O-] ZINC001600773695 1017728979 /nfs/dbraw/zinc/72/89/79/1017728979.db2.gz XHUNFMMSYVXYAY-ZETCQYMHSA-N -1 0 301.324 -0.200 20 0 DBADRM Cc1nn(C)cc1CCC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001600775814 1017728984 /nfs/dbraw/zinc/72/89/84/1017728984.db2.gz JCCQJEZXYAKNOB-NSHDSACASA-N -1 0 308.338 -0.585 20 0 DBADRM Cc1nn(C)cc1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600775729 1017729027 /nfs/dbraw/zinc/72/90/27/1017729027.db2.gz AQJRWPWNLQQBTH-UWVGGRQHSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1nn(C)cc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600776819 1017729078 /nfs/dbraw/zinc/72/90/78/1017729078.db2.gz XMOUZQGYYVWDCN-LMLFDSFASA-N -1 0 320.349 -0.174 20 0 DBADRM Cc1nn(C)cc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600776879 1017729285 /nfs/dbraw/zinc/72/92/85/1017729285.db2.gz ZEGJVQQFFZMUPC-GHMZBOCLSA-N -1 0 320.349 -0.363 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001600777989 1017729310 /nfs/dbraw/zinc/72/93/10/1017729310.db2.gz UDZKEWWSRQJKBN-WCBMZHEXSA-N -1 0 303.340 -0.673 20 0 DBADRM Cc1nn(CCS(=O)(=O)NC2(C(=O)[O-])CCC2)c(=O)o1 ZINC001600787846 1017730170 /nfs/dbraw/zinc/73/01/70/1017730170.db2.gz OCAPZCPKDAIODN-UHFFFAOYSA-N -1 0 305.312 -0.929 20 0 DBADRM Cc1nn(CCS(=O)(=O)NCCCCC(=O)[O-])c(=O)o1 ZINC001600787511 1017730174 /nfs/dbraw/zinc/73/01/74/1017730174.db2.gz HIYKIHFIUNLHIR-UHFFFAOYSA-N -1 0 307.328 -0.681 20 0 DBADRM Cc1nn(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)c(=O)n1C ZINC001600779129 1017730230 /nfs/dbraw/zinc/73/02/30/1017730230.db2.gz TVLWNGJOYRTSCH-SDDRHHMPSA-N -1 0 322.365 -0.008 20 0 DBADRM Cc1nn2cccnc2c1S(=O)(=O)NC[C@@H](O)CC(=O)[O-] ZINC001600790858 1017730445 /nfs/dbraw/zinc/73/04/45/1017730445.db2.gz RBFYCGSDQNKJCX-QMMMGPOBSA-N -1 0 314.323 -0.848 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)CN1CCOCC1 ZINC001600780871 1017731102 /nfs/dbraw/zinc/73/11/02/1017731102.db2.gz JOKYMOUWKKIOBK-UHFFFAOYSA-N -1 0 310.354 -0.467 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)n1C ZINC001600796146 1017731848 /nfs/dbraw/zinc/73/18/48/1017731848.db2.gz NTNMZNWQSHWVOC-SNVBAGLBSA-N -1 0 323.353 -0.643 20 0 DBADRM Cc1nnc(CN2CC(CCO)(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001600793890 1017732042 /nfs/dbraw/zinc/73/20/42/1017732042.db2.gz DHGDUYLCCFWDQT-VHSXEESVSA-N -1 0 324.337 -0.848 20 0 DBADRM Cc1nnc(COCC(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC001600796641 1017732599 /nfs/dbraw/zinc/73/25/99/1017732599.db2.gz QWJQICQTRYDTRH-QMMMGPOBSA-N -1 0 301.324 -0.325 20 0 DBADRM Cc1nnc(CCNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1C ZINC001600794901 1017732906 /nfs/dbraw/zinc/73/29/06/1017732906.db2.gz AMKBTGYSEWHLAW-SNVBAGLBSA-N -1 0 323.353 -0.895 20 0 DBADRM Cc1nnc(N2CC[C@H](C(=O)[O-])C2)n1CCS(C)(=O)=O ZINC001600796961 1017733101 /nfs/dbraw/zinc/73/31/01/1017733101.db2.gz CQHCKAXESIULTN-VIFPVBQESA-N -1 0 302.356 -0.458 20 0 DBADRM Cc1nnccc1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600800155 1017733551 /nfs/dbraw/zinc/73/35/51/1017733551.db2.gz OTODRKUFBQCGSR-WDEREUQCSA-N -1 0 304.306 -0.554 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)O[C@H](C)C(=O)NCC(=O)[O-])CC2 ZINC001600800060 1017733619 /nfs/dbraw/zinc/73/36/19/1017733619.db2.gz LMGNPDMDGGOHTA-VXNVDRBHSA-N -1 0 310.310 -0.719 20 0 DBADRM Cc1nnsc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600802364 1017733627 /nfs/dbraw/zinc/73/36/27/1017733627.db2.gz DISBIIOCXSVTBV-KZVJFYERSA-N -1 0 324.362 -0.056 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)N[C@](C)(CO)C(=O)[O-])c(F)c1 ZINC001600800442 1017734382 /nfs/dbraw/zinc/73/43/82/1017734382.db2.gz INARRYIKDGXOEV-CYBMUJFWSA-N -1 0 323.284 -0.325 20 0 DBADRM Cc1nnsc1CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001600803198 1017734492 /nfs/dbraw/zinc/73/44/92/1017734492.db2.gz YJOHQFFILQXHSL-BQBZGAKWSA-N -1 0 315.355 -0.376 20 0 DBADRM Cc1noc([C@H]2OCC[C@H]2NS(=O)(=O)C[C@@H](C)C(=O)[O-])n1 ZINC001600817382 1017734905 /nfs/dbraw/zinc/73/49/05/1017734905.db2.gz VAGOQJWXHCCHCU-VDAHYXPESA-N -1 0 319.339 -0.152 20 0 DBADRM Cc1nocc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600816382 1017735046 /nfs/dbraw/zinc/73/50/46/1017735046.db2.gz XDAKYPUWVZSGOQ-NXEZZACHSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1nocc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600816385 1017735237 /nfs/dbraw/zinc/73/52/37/1017735237.db2.gz XDAKYPUWVZSGOQ-ZJUUUORDSA-N -1 0 307.306 -0.013 20 0 DBADRM Cc1nonc1C(=O)N1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001600817333 1017735462 /nfs/dbraw/zinc/73/54/62/1017735462.db2.gz AOPZNYUXENMUHS-UHFFFAOYSA-N -1 0 318.293 -0.171 20 0 DBADRM Cc1noc(CN2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4C(=O)[O-])C[C@@H]3C2)n1 ZINC001600813337 1017735501 /nfs/dbraw/zinc/73/55/01/1017735501.db2.gz XVHZHMVYSVMHHX-WRWGMCAJSA-N -1 0 320.349 -0.011 20 0 DBADRM Cc1nocc1C(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1 ZINC001600816667 1017735574 /nfs/dbraw/zinc/73/55/74/1017735574.db2.gz JZONRHUAJDYWDA-QMMMGPOBSA-N -1 0 321.293 -0.904 20 0 DBADRM Cc1noc(CN2C[C@@H]3CN(C(=O)[C@@H]4C[C@@H]4C(=O)[O-])C[C@@H]3C2)n1 ZINC001600813329 1017735650 /nfs/dbraw/zinc/73/56/50/1017735650.db2.gz XVHZHMVYSVMHHX-KXNHARMFSA-N -1 0 320.349 -0.011 20 0 DBADRM Cc1nonc1C(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600818748 1017735763 /nfs/dbraw/zinc/73/57/63/1017735763.db2.gz VWEXJZWAYLLVTD-RKDXNWHRSA-N -1 0 310.310 -0.323 20 0 DBADRM Cc1nonc1C(=O)N(C)CCCNc1ccnc(C(=O)[O-])n1 ZINC001600818347 1017735916 /nfs/dbraw/zinc/73/59/16/1017735916.db2.gz MPTMPINROFFLCI-UHFFFAOYSA-N -1 0 320.309 -0.138 20 0 DBADRM Cc1nonc1C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600817355 1017735970 /nfs/dbraw/zinc/73/59/70/1017735970.db2.gz AZIWKSHDAVJNQS-NXEZZACHSA-N -1 0 322.321 -0.227 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001600864417 1017738253 /nfs/dbraw/zinc/73/82/53/1017738253.db2.gz MXOJHVUDDWRMPI-MRVPVSSYSA-N -1 0 319.339 -0.589 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N(CC(=O)[O-])C1CC1 ZINC001600857903 1017738842 /nfs/dbraw/zinc/73/88/42/1017738842.db2.gz NXEZIRCBUPXMLK-UHFFFAOYSA-N -1 0 302.308 -0.075 20 0 DBADRM Cc1sc(S(N)(=O)=O)cc1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001600889226 1017738860 /nfs/dbraw/zinc/73/88/60/1017738860.db2.gz ABWJHPCDVXJFFI-SNVBAGLBSA-N -1 0 322.364 -0.731 20 0 DBADRM Cc1sc(=O)n(CCC(=O)NC[C@H](O)CC(=O)[O-])c1C ZINC001600865327 1017738966 /nfs/dbraw/zinc/73/89/66/1017738966.db2.gz ZCHVOSPEHORYMO-SECBINFHSA-N -1 0 302.352 -0.131 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)NCCSCC(=O)[O-] ZINC001600858247 1017739052 /nfs/dbraw/zinc/73/90/52/1017739052.db2.gz SVMFAYQERRMBGG-UHFFFAOYSA-N -1 0 322.364 -0.217 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1CCSC[C@H]1C(=O)[O-] ZINC001600864715 1017739626 /nfs/dbraw/zinc/73/96/26/1017739626.db2.gz UUMISNNMIIBIPJ-LURJTMIESA-N -1 0 307.353 -0.244 20 0 DBADRM Cc1onc(N)c1S(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001600864010 1017739696 /nfs/dbraw/zinc/73/96/96/1017739696.db2.gz GFRNLHSLKPQVDX-NKWVEPMBSA-N -1 0 305.312 -0.979 20 0 DBADRM Cc1sc(C(=O)[O-])cc1NC(=O)NC(CO)(CO)CO ZINC001600872055 1017739733 /nfs/dbraw/zinc/73/97/33/1017739733.db2.gz NKQROVIBEHKHIA-UHFFFAOYSA-N -1 0 304.324 -0.408 20 0 DBADRM Cc1occc1C(=O)NCC(=O)N[C@@H](Cn1ccnc1)C(=O)[O-] ZINC001600860967 1017739932 /nfs/dbraw/zinc/73/99/32/1017739932.db2.gz XUBHBSZRJUQRDT-NSHDSACASA-N -1 0 320.305 -0.216 20 0 DBADRM Cc1onc2c1c(C(=O)[O-])nn(CN1CCN(C)C(=O)C1)c2=O ZINC001600863304 1017740063 /nfs/dbraw/zinc/74/00/63/1017740063.db2.gz GDQCWQXKGPSEBN-UHFFFAOYSA-N -1 0 321.293 -0.877 20 0 DBADRM Cn1c(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)c[nH]c1=O ZINC001600899142 1017740553 /nfs/dbraw/zinc/74/05/53/1017740553.db2.gz XFRPABBLFNKSBP-IUCAKERBSA-N -1 0 322.321 -0.869 20 0 DBADRM Cn1c(=O)ccn(CC(=O)OCc2ccoc2C(=O)[O-])c1=O ZINC001600896435 1017740759 /nfs/dbraw/zinc/74/07/59/1017740759.db2.gz KSUVKWIJNLHHHH-UHFFFAOYSA-N -1 0 308.246 -0.418 20 0 DBADRM Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CC(=O)[O-])C1 ZINC001600897934 1017740844 /nfs/dbraw/zinc/74/08/44/1017740844.db2.gz DSIIOPCSEBVDNM-SNVBAGLBSA-N -1 0 323.353 -0.269 20 0 DBADRM Cn1c(=O)[nH]cc1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001600897871 1017740879 /nfs/dbraw/zinc/74/08/79/1017740879.db2.gz BZPJCAHEBXABEA-CQSZACIVSA-N -1 0 324.337 -0.873 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001600903912 1017741031 /nfs/dbraw/zinc/74/10/31/1017741031.db2.gz MCRLLUMJNPEFBG-CQSZACIVSA-N -1 0 323.305 -0.326 20 0 DBADRM Cn1c(=O)ccn(CC(=O)O[C@H](C(=O)[O-])c2ccccc2)c1=O ZINC001600896456 1017741153 /nfs/dbraw/zinc/74/11/53/1017741153.db2.gz LLLACHXYTMYMGB-ZDUSSCGKSA-N -1 0 318.285 -0.084 20 0 DBADRM Cn1c2ccccc2n(CC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1=O ZINC001600894618 1017741201 /nfs/dbraw/zinc/74/12/01/1017741201.db2.gz KFSZVLNBYILLIE-TVQRCGJNSA-N -1 0 319.317 -0.302 20 0 DBADRM Cn1c2ccccc2n(CC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1=O ZINC001600894877 1017741593 /nfs/dbraw/zinc/74/15/93/1017741593.db2.gz PSUWHYSCVPDQHG-BXKDBHETSA-N -1 0 319.317 -0.614 20 0 DBADRM Cn1c(=O)[nH]c2ccc(C(=O)N3CC[C@@](O)(C(=O)[O-])C3)cc21 ZINC001600896197 1017741746 /nfs/dbraw/zinc/74/17/46/1017741746.db2.gz RMQPCAJRUODNRA-AWEZNQCLSA-N -1 0 305.290 -0.060 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Oc2ccccc2C(=O)[O-])c1=O ZINC001600896073 1017741810 /nfs/dbraw/zinc/74/18/10/1017741810.db2.gz DKKHJPYUEBISGR-UHFFFAOYSA-N -1 0 304.258 -0.149 20 0 DBADRM Cn1c2cc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])ccc2c(=O)n(C)c1=O ZINC001600895300 1017742055 /nfs/dbraw/zinc/74/20/55/1017742055.db2.gz TUAQMVFRMDYXOY-VHSXEESVSA-N -1 0 317.301 -0.104 20 0 DBADRM Cn1c([C@H]2CCCCC(=O)N2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001600910316 1017742436 /nfs/dbraw/zinc/74/24/36/1017742436.db2.gz IWFISBNQZKOBSC-ZJUUUORDSA-N -1 0 323.353 -0.164 20 0 DBADRM Cn1c(CNC(=O)Cn2ccc(C(=O)[O-])n2)nnc1C1CC1 ZINC001600914896 1017742987 /nfs/dbraw/zinc/74/29/87/1017742987.db2.gz QJLBXJYCHSQEES-UHFFFAOYSA-N -1 0 304.310 -0.096 20 0 DBADRM Cn1c([C@@H]2CCNC(=O)C2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001600912107 1017743487 /nfs/dbraw/zinc/74/34/87/1017743487.db2.gz VXDAVQFDVFUDRN-AMIZOPFISA-N -1 0 311.317 -0.188 20 0 DBADRM Cn1c(CS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001600918487 1017743588 /nfs/dbraw/zinc/74/35/88/1017743588.db2.gz SKHUHZZUGYWLBX-NSHDSACASA-N -1 0 302.356 -0.339 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)NCCN1CCCS1(=O)=O ZINC001600904335 1017743762 /nfs/dbraw/zinc/74/37/62/1017743762.db2.gz SLFHCVKGUYTMFN-UHFFFAOYSA-N -1 0 315.351 -0.511 20 0 DBADRM Cn1c(C=O)ccc1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001600912602 1017743992 /nfs/dbraw/zinc/74/39/92/1017743992.db2.gz SDHZHOSOZRVZLI-SNVBAGLBSA-N -1 0 307.306 -0.357 20 0 DBADRM Cn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1[C@@]1(O)CCSC1 ZINC001600920204 1017744807 /nfs/dbraw/zinc/74/48/07/1017744807.db2.gz JMYMQZGONZVHIU-PRHODGIISA-N -1 0 314.367 -0.571 20 0 DBADRM Cn1cc(-c2nnc(N3CCO[C@@H](CC(=O)[O-])C3)n2C)cn1 ZINC001600924855 1017745296 /nfs/dbraw/zinc/74/52/96/1017745296.db2.gz OMCNOWAUZUTSRB-JTQLQIEISA-N -1 0 306.326 -0.105 20 0 DBADRM Cn1c(=O)cc(N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)n(C)c1=O ZINC001600921433 1017745318 /nfs/dbraw/zinc/74/53/18/1017745318.db2.gz AWTQITFHDBQASG-VOZQYIJBSA-N -1 0 323.349 -0.092 20 0 DBADRM Cn1c(CO)nc2cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)ccc21 ZINC001600919275 1017745651 /nfs/dbraw/zinc/74/56/51/1017745651.db2.gz PDBLVAKGDOFBQX-LBPRGKRZSA-N -1 0 319.317 -0.009 20 0 DBADRM Cn1c(N2CCO[C@H](CC(=O)[O-])C2)nnc1[C@]1(O)CCOC1 ZINC001600920489 1017745692 /nfs/dbraw/zinc/74/56/92/1017745692.db2.gz KJICENXRFFIECB-RNCFNFMXSA-N -1 0 312.326 -0.897 20 0 DBADRM Cn1cc(-c2n[nH]cc2C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC001600925474 1017746003 /nfs/dbraw/zinc/74/60/03/1017746003.db2.gz JYMFSKAZKIFQOC-SNVBAGLBSA-N -1 0 305.294 -0.264 20 0 DBADRM Cn1cc(C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)c(=O)[nH]c1=O ZINC001600928279 1017746055 /nfs/dbraw/zinc/74/60/55/1017746055.db2.gz BGTKNBVEKPELSI-UHFFFAOYSA-N -1 0 322.277 -0.163 20 0 DBADRM Cn1cc(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c(=O)n(C)c1=O ZINC001600928148 1017746132 /nfs/dbraw/zinc/74/61/32/1017746132.db2.gz DSZZEPWFOGANFX-BMIGLBTASA-N -1 0 321.333 -0.447 20 0 DBADRM Cn1cc(C(=O)N(CC(=O)[O-])C2CCCCC2)c(=O)n(C)c1=O ZINC001600928670 1017746524 /nfs/dbraw/zinc/74/65/24/1017746524.db2.gz GSJYPUTUKLCTOM-UHFFFAOYSA-N -1 0 323.349 -0.057 20 0 DBADRM Cn1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CCC2)cn1 ZINC001600929986 1017747390 /nfs/dbraw/zinc/74/73/90/1017747390.db2.gz LNJVICUJMHBIDJ-MNOVXSKESA-N -1 0 320.349 -0.091 20 0 DBADRM Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]c1=O ZINC001600930576 1017747533 /nfs/dbraw/zinc/74/75/33/1017747533.db2.gz XMSUFQYLIUADMI-BZNPZCIMSA-N -1 0 322.321 -0.777 20 0 DBADRM Cn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1 ZINC001600930535 1017748436 /nfs/dbraw/zinc/74/84/36/1017748436.db2.gz HVOFPGSBRXOYSW-ZYUZMQFOSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1cc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c(=O)n(C)c1=O ZINC001600931224 1017748797 /nfs/dbraw/zinc/74/87/97/1017748797.db2.gz MQNGRIZJKTZHKR-ZCFIWIBFSA-N -1 0 323.227 -0.781 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)C(=O)N2CCn3cccc3C2)n1 ZINC001600933142 1017748966 /nfs/dbraw/zinc/74/89/66/1017748966.db2.gz KNHPAIRNOJJSNA-UHFFFAOYSA-N -1 0 317.305 -0.099 20 0 DBADRM Cn1cc(C(=O)O[C@H]2CCCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001600941535 1017749375 /nfs/dbraw/zinc/74/93/75/1017749375.db2.gz PGWOFSRCNBOIKI-WPRPVWTQSA-N -1 0 310.306 -0.116 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)NC2(C(=O)[O-])CCSCC2)cn1 ZINC001600946908 1017749413 /nfs/dbraw/zinc/74/94/13/1017749413.db2.gz IWVFPQONINQHGX-JTQLQIEISA-N -1 0 313.379 -0.210 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001600940368 1017749822 /nfs/dbraw/zinc/74/98/22/1017749822.db2.gz RDTNEWVRIRUJPN-OCCIGCLGSA-N -1 0 318.376 -0.383 20 0 DBADRM Cn1cc([C@H](O)C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cn1 ZINC001600940431 1017750254 /nfs/dbraw/zinc/75/02/54/1017750254.db2.gz LNJVLONTUGCODG-YPMHNXCESA-N -1 0 311.338 -0.064 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001600941501 1017750508 /nfs/dbraw/zinc/75/05/08/1017750508.db2.gz UHCXMRTWYSJSPO-UWVGGRQHSA-N -1 0 318.351 -0.913 20 0 DBADRM Cn1cc([C@@H](O)CNC(=O)CCCn2ccc(C(=O)[O-])n2)cn1 ZINC001600942682 1017750799 /nfs/dbraw/zinc/75/07/99/1017750799.db2.gz MMNPPOZNKJEVHX-LBPRGKRZSA-N -1 0 321.337 -0.055 20 0 DBADRM Cn1cc(C[C@H](O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)cn1 ZINC001600946468 1017750806 /nfs/dbraw/zinc/75/08/06/1017750806.db2.gz GIQJIWKJODJEDE-JTQLQIEISA-N -1 0 321.337 -0.022 20 0 DBADRM Cn1cc([C@H](O)CNC(=O)Nc2cc(C(=O)[O-])n(C)n2)cn1 ZINC001600942383 1017750815 /nfs/dbraw/zinc/75/08/15/1017750815.db2.gz FNKKRIIIXDHUHR-SECBINFHSA-N -1 0 308.298 -0.293 20 0 DBADRM Cn1cc(C2=NO[C@@H](C(=O)N3CCOC[C@@H]3C(=O)[O-])C2)cn1 ZINC001600945158 1017750961 /nfs/dbraw/zinc/75/09/61/1017750961.db2.gz KVDIGWGRIJNUJL-GHMZBOCLSA-N -1 0 308.294 -0.775 20 0 DBADRM Cn1cc(C(=O)O[C@H]2CCCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC001600941524 1017751047 /nfs/dbraw/zinc/75/10/47/1017751047.db2.gz PGWOFSRCNBOIKI-SCZZXKLOSA-N -1 0 310.306 -0.116 20 0 DBADRM Cn1cc([C@@H](O)C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cn1 ZINC001600940430 1017751075 /nfs/dbraw/zinc/75/10/75/1017751075.db2.gz LNJVLONTUGCODG-WCQYABFASA-N -1 0 311.338 -0.064 20 0 DBADRM Cn1cc([C@H](O)CNS(=O)(=O)c2cc(C(=O)[O-])co2)cn1 ZINC001600942485 1017751137 /nfs/dbraw/zinc/75/11/37/1017751137.db2.gz HYRRUUZKASACRE-SECBINFHSA-N -1 0 315.307 -0.277 20 0 DBADRM Cn1cc(/C=C/C(=O)NCC(C)(C)CC(=O)[O-])c(=O)n(C)c1=O ZINC001600946977 1017751633 /nfs/dbraw/zinc/75/16/33/1017751633.db2.gz XCRMEWYOPBHAEZ-AATRIKPKSA-N -1 0 323.349 -0.286 20 0 DBADRM Cn1cc(CCCNC(=O)NCCn2cc(C(=O)[O-])nn2)cn1 ZINC001600950179 1017751660 /nfs/dbraw/zinc/75/16/60/1017751660.db2.gz RJYGFTVXQSSXMS-UHFFFAOYSA-N -1 0 321.341 -0.358 20 0 DBADRM Cn1cc(CN2CCN3[C@H](CNS3(=O)=O)C2)cc1C(=O)[O-] ZINC001600951559 1017752099 /nfs/dbraw/zinc/75/20/99/1017752099.db2.gz BYZXYTKPLBIIOD-SNVBAGLBSA-N -1 0 314.367 -0.943 20 0 DBADRM Cn1cc(CN2CCC3(CN(C(=O)[C@@H]4C[C@H]4C(=O)[O-])C3)C2)nn1 ZINC001600951273 1017752260 /nfs/dbraw/zinc/75/22/60/1017752260.db2.gz GWWYLFNBEHECLG-VXGBXAGGSA-N -1 0 319.365 -0.430 20 0 DBADRM Cn1cc(CN2CCC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001600951681 1017752431 /nfs/dbraw/zinc/75/24/31/1017752431.db2.gz JJJQATAVOFFKTM-NEPJUHHUSA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1cc(C[C@H](CO)NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cn1 ZINC001600947760 1017752754 /nfs/dbraw/zinc/75/27/54/1017752754.db2.gz NVYPZBUKTPVNCX-MXWKQRLJSA-N -1 0 317.367 -0.894 20 0 DBADRM Cn1cc(CCC(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001600948977 1017752857 /nfs/dbraw/zinc/75/28/57/1017752857.db2.gz QTBWOFNGKRJAIG-NEPJUHHUSA-N -1 0 320.349 -0.600 20 0 DBADRM Cn1cc(CNCc2nnc3n2CCNC3=O)cc1C(=O)[O-] ZINC001600955069 1017754082 /nfs/dbraw/zinc/75/40/82/1017754082.db2.gz TYUDLCYSBHGLES-UHFFFAOYSA-N -1 0 304.310 -0.652 20 0 DBADRM Cn1cc(CNC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CCC2)nn1 ZINC001600953595 1017754573 /nfs/dbraw/zinc/75/45/73/1017754573.db2.gz ZZXZQEYWSKPWNG-QWRGUYRKSA-N -1 0 307.354 -0.336 20 0 DBADRM Cn1cc(CNC(=O)NC[C@@H](CC(=O)[O-])C2CC2)c(=O)[nH]c1=O ZINC001600953698 1017754609 /nfs/dbraw/zinc/75/46/09/1017754609.db2.gz MWJDDVVNPNAGFV-SECBINFHSA-N -1 0 324.337 -0.214 20 0 DBADRM Cn1cc(CNC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)nn1 ZINC001600953402 1017755040 /nfs/dbraw/zinc/75/50/40/1017755040.db2.gz DTJSFMKFSPOPPA-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@H](CO)CC2CC2)cc1C(=O)[O-] ZINC001600959180 1017755113 /nfs/dbraw/zinc/75/51/13/1017755113.db2.gz PEOPONSAJYBXPJ-JTQLQIEISA-N -1 0 309.322 -0.061 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCn3ncnc3C2)cc1C(=O)[O-] ZINC001600959874 1017755129 /nfs/dbraw/zinc/75/51/29/1017755129.db2.gz VYGCLDXZCKSXOF-UHFFFAOYSA-N -1 0 318.293 -0.704 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@]2(CC(=O)[O-])CCOC2)ccc1=O ZINC001600958572 1017755398 /nfs/dbraw/zinc/75/53/98/1017755398.db2.gz HUIYPPSSLZQALL-AWEZNQCLSA-N -1 0 323.305 -0.926 20 0 DBADRM Cn1cc(CNC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CCC2)nn1 ZINC001600953593 1017755408 /nfs/dbraw/zinc/75/54/08/1017755408.db2.gz ZZXZQEYWSKPWNG-GHMZBOCLSA-N -1 0 307.354 -0.336 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCC(F)(F)CO)cc1C(=O)[O-] ZINC001600959561 1017755458 /nfs/dbraw/zinc/75/54/58/1017755458.db2.gz SDNYQTMEMKIPLH-UHFFFAOYSA-N -1 0 305.237 -0.594 20 0 DBADRM Cn1cc(S(=O)(=O)N2CC[C@@H](O)[C@@H](F)C2)cc1C(=O)[O-] ZINC001600966778 1017756135 /nfs/dbraw/zinc/75/61/35/1017756135.db2.gz FDTUGYAYITWODX-WCBMZHEXSA-N -1 0 306.315 -0.183 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N3CC4CC3(C(=O)[O-])C4)CC2=O)cn1 ZINC001600959951 1017756744 /nfs/dbraw/zinc/75/67/44/1017756744.db2.gz AXZDNFNTEGYKJQ-KGXJWFGYSA-N -1 0 318.333 -0.151 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N(CC(=O)[O-])C3CC3)CC2=O)cn1 ZINC001600960994 1017756961 /nfs/dbraw/zinc/75/69/61/1017756961.db2.gz HGEAURPDJHUSBE-VIFPVBQESA-N -1 0 306.322 -0.151 20 0 DBADRM Cn1cc(NC(=O)C(=O)NCCn2cccn2)cc1C(=O)[O-] ZINC001600960724 1017757065 /nfs/dbraw/zinc/75/70/65/1017757065.db2.gz OXFFCBUZLAADRI-UHFFFAOYSA-N -1 0 305.294 -0.325 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)N3CC[C@H]3C(=O)[O-])CCC2=O)cn1 ZINC001600962183 1017757097 /nfs/dbraw/zinc/75/70/97/1017757097.db2.gz RDOKJPKMKVIYST-KOLCDFICSA-N -1 0 306.322 -0.151 20 0 DBADRM Cn1cc(NC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)nn1 ZINC001600963004 1017757144 /nfs/dbraw/zinc/75/71/44/1017757144.db2.gz SCTKCCGJXQRKDR-CYBMUJFWSA-N -1 0 324.341 -0.792 20 0 DBADRM Cn1cc(N2CC[C@H](NC(=O)Cn3cc(C(=O)[O-])cn3)C2)cn1 ZINC001600961816 1017757643 /nfs/dbraw/zinc/75/76/43/1017757643.db2.gz MNFKQFHNDQSSQI-NSHDSACASA-N -1 0 318.337 -0.290 20 0 DBADRM Cn1cc(NC(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)nn1 ZINC001600962764 1017757771 /nfs/dbraw/zinc/75/77/71/1017757771.db2.gz LIIXEDIRSPXMAD-UHFFFAOYSA-N -1 0 320.313 -0.026 20 0 DBADRM Cn1ccc(C(=O)NCCN(CCO)C(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC001600972661 1017759006 /nfs/dbraw/zinc/75/90/06/1017759006.db2.gz PUGSPZIUSNASRM-NWDGAFQWSA-N -1 0 323.349 -0.704 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)N1CC(S(C)(=O)=O)C1 ZINC001601003636 1017781838 /nfs/dbraw/zinc/78/18/38/1017781838.db2.gz PVHXKBFKRIQSCS-UHFFFAOYSA-N -1 0 302.312 -0.621 20 0 DBADRM Cn1ccc(=O)n(CC(=O)Nc2ccc(C(=O)[O-])cc2)c1=O ZINC001600970578 1017760094 /nfs/dbraw/zinc/76/00/94/1017760094.db2.gz AJNHRPMDJNSKQS-UHFFFAOYSA-N -1 0 303.274 -0.116 20 0 DBADRM Cn1cc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])nc1Cl ZINC001600968602 1017761512 /nfs/dbraw/zinc/76/15/12/1017761512.db2.gz UQZRVRYXMNFTPF-CAHLUQPWSA-N -1 0 309.731 -0.406 20 0 DBADRM Cn1ccc(S(=O)(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)n1 ZINC001600977308 1017762799 /nfs/dbraw/zinc/76/27/99/1017762799.db2.gz KLACQCDFXSIZHS-UHFFFAOYSA-N -1 0 316.383 -0.410 20 0 DBADRM Cn1cccc(C(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])c1=O ZINC001600978358 1017763122 /nfs/dbraw/zinc/76/31/22/1017763122.db2.gz YGOSIEUYUYHWHF-UHFFFAOYSA-N -1 0 322.277 -0.570 20 0 DBADRM Cn1ccc(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC001600972663 1017763947 /nfs/dbraw/zinc/76/39/47/1017763947.db2.gz PUGSPZIUSNASRM-VXGBXAGGSA-N -1 0 323.349 -0.704 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])n1 ZINC001600977907 1017765356 /nfs/dbraw/zinc/76/53/56/1017765356.db2.gz WWBGVLADNPOWAT-NSHDSACASA-N -1 0 313.339 -0.562 20 0 DBADRM Cn1ccc(S(=O)(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])n1 ZINC001600977754 1017765919 /nfs/dbraw/zinc/76/59/19/1017765919.db2.gz KZKBIKDTUGSENN-RKDXNWHRSA-N -1 0 303.340 -0.279 20 0 DBADRM Cn1ccnc1N1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC001600986198 1017767457 /nfs/dbraw/zinc/76/74/57/1017767457.db2.gz AFRVUEFBHLJCGI-UHFFFAOYSA-N -1 0 319.325 -0.941 20 0 DBADRM Cn1ccnc1C(NC(=O)NC[C@H](F)C(=O)[O-])c1nccn1C ZINC001600983514 1017767640 /nfs/dbraw/zinc/76/76/40/1017767640.db2.gz PMCZDLKMPQHHOM-QMMMGPOBSA-N -1 0 324.316 -0.035 20 0 DBADRM Cn1cccc1C(=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600979598 1017767880 /nfs/dbraw/zinc/76/78/80/1017767880.db2.gz PMZBYWIGPFSTQZ-SECBINFHSA-N -1 0 317.305 -0.029 20 0 DBADRM Cn1cnc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001600986640 1017768668 /nfs/dbraw/zinc/76/86/68/1017768668.db2.gz CVFODRCPCLOCOZ-VLEAKVRGSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1ccnc1COCC(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001600987074 1017768770 /nfs/dbraw/zinc/76/87/70/1017768770.db2.gz LQQGRJNUXZRNDG-WDEREUQCSA-N -1 0 311.338 -0.210 20 0 DBADRM Cn1cnc(C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)cc1=O ZINC001600987611 1017770264 /nfs/dbraw/zinc/77/02/64/1017770264.db2.gz PSROMWKCRQRGIX-KGXJWFGYSA-N -1 0 321.333 -0.078 20 0 DBADRM Cn1cnc(NC(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)cc1=O ZINC001600989746 1017770665 /nfs/dbraw/zinc/77/06/65/1017770665.db2.gz QMNWYFUJGPLQAL-DTWKUNHWSA-N -1 0 310.310 -0.361 20 0 DBADRM Cn1cnc(C(=O)N2CCC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC001600987222 1017770761 /nfs/dbraw/zinc/77/07/61/1017770761.db2.gz HGSAVCFZPZQOOA-ZJUUUORDSA-N -1 0 321.337 -0.743 20 0 DBADRM Cn1cnc(C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])cc1=O ZINC001600987379 1017770884 /nfs/dbraw/zinc/77/08/84/1017770884.db2.gz OBRVHMWUPVGUIO-NSHDSACASA-N -1 0 316.317 -0.151 20 0 DBADRM Cn1cnc(CCCN2C(=O)[C@H]3C[C@H](C(=O)[O-])CCN3C2=O)n1 ZINC001600989835 1017771864 /nfs/dbraw/zinc/77/18/64/1017771864.db2.gz FCMSZZHIDXFEDE-NXEZZACHSA-N -1 0 321.337 -0.125 20 0 DBADRM Cn1ccc([C@H](NC(=O)/C=C/CN2CCOCC2)C(=O)[O-])n1 ZINC001600990123 1017772298 /nfs/dbraw/zinc/77/22/98/1017772298.db2.gz OHKQDJJCKCGUEY-IBUXWKBASA-N -1 0 308.338 -0.450 20 0 DBADRM Cn1ccc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)cc1=O ZINC001600991522 1017772758 /nfs/dbraw/zinc/77/27/58/1017772758.db2.gz UFUPPNUREHXARK-SNVBAGLBSA-N -1 0 308.290 -0.382 20 0 DBADRM Cn1cnc(S(=O)(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])c1 ZINC001600990808 1017773141 /nfs/dbraw/zinc/77/31/41/1017773141.db2.gz CDBHPQPKPLZDIY-QMMMGPOBSA-N -1 0 319.339 -0.695 20 0 DBADRM Cn1cnn(CC(=O)NCCc2cccc(C(=O)[O-])c2)c1=O ZINC001600995318 1017773623 /nfs/dbraw/zinc/77/36/23/1017773623.db2.gz JDMBDOGNGFSWDJ-UHFFFAOYSA-N -1 0 304.306 -0.361 20 0 DBADRM Cn1cncc1CCC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600993409 1017773856 /nfs/dbraw/zinc/77/38/56/1017773856.db2.gz MOGZAVVGNSEOIJ-NWDGAFQWSA-N -1 0 320.349 -0.600 20 0 DBADRM Cn1cncc1CC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600993777 1017774028 /nfs/dbraw/zinc/77/40/28/1017774028.db2.gz VYCILHXYISMLLE-RYUDHWBXSA-N -1 0 320.349 -0.646 20 0 DBADRM Cn1cncc1CNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600993632 1017774240 /nfs/dbraw/zinc/77/42/40/1017774240.db2.gz VDWSYQBOQFKFLU-VIFPVBQESA-N -1 0 319.325 -0.134 20 0 DBADRM Cn1cncc1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001600992359 1017774287 /nfs/dbraw/zinc/77/42/87/1017774287.db2.gz LYCJAUFMTLIHCP-GZMMTYOYSA-N -1 0 301.324 -0.962 20 0 DBADRM Cn1cnn(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1=O ZINC001600994833 1017774348 /nfs/dbraw/zinc/77/43/48/1017774348.db2.gz YGPSQDYKIDILCA-LBPRGKRZSA-N -1 0 318.333 -0.216 20 0 DBADRM Cn1cncc1CCC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001600993417 1017774473 /nfs/dbraw/zinc/77/44/73/1017774473.db2.gz NBUROUJLCJZJAJ-UHFFFAOYSA-N -1 0 324.381 -0.402 20 0 DBADRM Cn1cncc1CNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600993631 1017775112 /nfs/dbraw/zinc/77/51/12/1017775112.db2.gz VDWSYQBOQFKFLU-SECBINFHSA-N -1 0 319.325 -0.134 20 0 DBADRM Cn1cnnc1[C@H](CO)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001600994856 1017775676 /nfs/dbraw/zinc/77/56/76/1017775676.db2.gz ZHOZCUBMHYKURK-LVCFMKKZSA-N -1 0 306.278 -0.031 20 0 DBADRM Cn1cncc1C(=O)N1CC[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001600992955 1017776521 /nfs/dbraw/zinc/77/65/21/1017776521.db2.gz ZSHSYJBEOSTBGI-SECBINFHSA-N -1 0 316.321 -0.343 20 0 DBADRM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001600994297 1017777564 /nfs/dbraw/zinc/77/75/64/1017777564.db2.gz NJYOTPCCZKNTAP-BBBLOLIVSA-N -1 0 306.322 -0.675 20 0 DBADRM Cn1cnn(CC(=O)NCc2cccc(OCC(=O)[O-])c2)c1=O ZINC001600996061 1017778153 /nfs/dbraw/zinc/77/81/53/1017778153.db2.gz PWPOHRDPJNELGP-UHFFFAOYSA-N -1 0 320.305 -0.638 20 0 DBADRM Cn1nc(C(=O)N2CC(O)(C(=O)[O-])C2)cc1Br ZINC001600999084 1017778312 /nfs/dbraw/zinc/77/83/12/1017778312.db2.gz NHMDDYVMSDZBEH-UHFFFAOYSA-N -1 0 304.100 -0.546 20 0 DBADRM Cn1cnnc1COCC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001600996504 1017778506 /nfs/dbraw/zinc/77/85/06/1017778506.db2.gz XLAAUXUTQTZGQP-DBIOUOCHSA-N -1 0 308.338 -0.053 20 0 DBADRM Cn1cnn(CCC(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])c1=O ZINC001600995985 1017778674 /nfs/dbraw/zinc/77/86/74/1017778674.db2.gz OYUNUBGIHDQYDH-VHSXEESVSA-N -1 0 312.326 -0.890 20 0 DBADRM Cn1cnnc1COCC(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001600995707 1017778727 /nfs/dbraw/zinc/77/87/27/1017778727.db2.gz INBNKMMFNMSXRA-UHFFFAOYSA-N -1 0 305.294 -0.259 20 0 DBADRM Cn1cnnc1COCC(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001600995794 1017778830 /nfs/dbraw/zinc/77/88/30/1017778830.db2.gz JOJRDZAUPXDODB-CYBMUJFWSA-N -1 0 312.326 -0.528 20 0 DBADRM Cn1cnnc1S(=O)(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001600995678 1017779385 /nfs/dbraw/zinc/77/93/85/1017779385.db2.gz YSPOESWZSPOCIY-QMMMGPOBSA-N -1 0 300.340 -0.310 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC001601000677 1017781139 /nfs/dbraw/zinc/78/11/39/1017781139.db2.gz YGWJWIPWAWTACV-NSHDSACASA-N -1 0 301.324 -0.575 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCC1(S(C)(=O)=O)CC1 ZINC001601001081 1017781584 /nfs/dbraw/zinc/78/15/84/1017781584.db2.gz KCGGXXNPSIPLRF-UHFFFAOYSA-N -1 0 301.324 -0.575 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001601003142 1017782388 /nfs/dbraw/zinc/78/23/88/1017782388.db2.gz VECJDCFSSZXBLW-LLVKDONJSA-N -1 0 316.339 -0.471 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001601000958 1017782415 /nfs/dbraw/zinc/78/24/15/1017782415.db2.gz XBRCJIKVKRXAIA-BDAKNGLRSA-N -1 0 306.322 -0.141 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC001601000676 1017782431 /nfs/dbraw/zinc/78/24/31/1017782431.db2.gz YGWJWIPWAWTACV-LLVKDONJSA-N -1 0 301.324 -0.575 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN(C(C)(C)CO)CC1 ZINC001601000869 1017782632 /nfs/dbraw/zinc/78/26/32/1017782632.db2.gz OVLVFYRODDEMMU-UHFFFAOYSA-N -1 0 310.354 -0.353 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC001601004145 1017782685 /nfs/dbraw/zinc/78/26/85/1017782685.db2.gz JXBJECSOENGXDK-ZETCQYMHSA-N -1 0 311.298 -0.774 20 0 DBADRM Cn1nc(C(=O)[O-])cc1NC(=O)CCC[C@]1(C)NC(=O)NC1=O ZINC001601002813 1017782733 /nfs/dbraw/zinc/78/27/33/1017782733.db2.gz ICWHAMIKIHCJGL-ZDUSSCGKSA-N -1 0 323.309 -0.175 20 0 DBADRM Cn1nc(C(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])ccc1=O ZINC001601011618 1017783293 /nfs/dbraw/zinc/78/32/93/1017783293.db2.gz JVYWVFAFIHEOMH-ONGXEEELSA-N -1 0 309.322 -0.220 20 0 DBADRM Cn1nc(NC(=O)CCC[C@]2(C)NC(=O)NC2=O)cc1C(=O)[O-] ZINC001601012650 1017783418 /nfs/dbraw/zinc/78/34/18/1017783418.db2.gz BMSNCHKOUJDKGI-ZDUSSCGKSA-N -1 0 323.309 -0.175 20 0 DBADRM Cn1nc(C(=O)N[C@@](C)(CO)C(=O)[O-])c2ccccc2c1=O ZINC001601012920 1017784328 /nfs/dbraw/zinc/78/43/28/1017784328.db2.gz QNEYIBUJWNDLJE-AWEZNQCLSA-N -1 0 305.290 -0.501 20 0 DBADRM Cn1ncc(C(=O)NCC(=O)NCC(=O)[O-])c1C(F)(F)F ZINC001601021585 1017784995 /nfs/dbraw/zinc/78/49/95/1017784995.db2.gz HZIMCCIPQPFECC-UHFFFAOYSA-N -1 0 308.216 -0.631 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@@H]1CCOC1(C)C ZINC001601023990 1017785244 /nfs/dbraw/zinc/78/52/44/1017785244.db2.gz VCAXASCUWBWJNN-QMMMGPOBSA-N -1 0 324.337 -0.012 20 0 DBADRM Cn1ncc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001601021571 1017785641 /nfs/dbraw/zinc/78/56/41/1017785641.db2.gz HDPUVJAPBLHPIS-XKNYDFJKSA-N -1 0 321.337 -0.840 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCOC(C)(C)C1 ZINC001601021900 1017785969 /nfs/dbraw/zinc/78/59/69/1017785969.db2.gz NFRGXXHFUUPVES-UHFFFAOYSA-N -1 0 310.310 -0.306 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@H]1CCC[C@H](O)C1 ZINC001601022954 1017786440 /nfs/dbraw/zinc/78/64/40/1017786440.db2.gz JBRVOBHFFPLKQN-IUCAKERBSA-N -1 0 324.337 -0.276 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001601022875 1017786783 /nfs/dbraw/zinc/78/67/83/1017786783.db2.gz JAGCBHGRTIZNLO-RKDXNWHRSA-N -1 0 323.309 -0.761 20 0 DBADRM Cn1nccc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001601031400 1017788008 /nfs/dbraw/zinc/78/80/08/1017788008.db2.gz BDFLEVODMZJDFM-ZRUFSTJUSA-N -1 0 320.349 -0.235 20 0 DBADRM Cn1nccc1C(=O)N1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001601031859 1017789013 /nfs/dbraw/zinc/78/90/13/1017789013.db2.gz OBIGHBBVZYAQKX-UHFFFAOYSA-N -1 0 316.321 -0.129 20 0 DBADRM Cn1nccc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001601031669 1017789163 /nfs/dbraw/zinc/78/91/63/1017789163.db2.gz JZYUVLSLKHLDRD-DTORHVGOSA-N -1 0 316.321 -0.297 20 0 DBADRM Cn1ncc2c1nc(N1C[C@H]3COCC[C@@]3(C(=O)[O-])C1)[nH]c2=O ZINC001601029822 1017789639 /nfs/dbraw/zinc/78/96/39/1017789639.db2.gz PXLJODDXEDJTHY-RMLUDKJBSA-N -1 0 319.321 -0.004 20 0 DBADRM Cn1nccc1[C@H](NC(=O)CCCCCNC(N)=O)C(=O)[O-] ZINC001601032914 1017792116 /nfs/dbraw/zinc/79/21/16/1017792116.db2.gz NBCCZUUVVLCYKC-NSHDSACASA-N -1 0 311.342 -0.109 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-] ZINC001601033039 1017792710 /nfs/dbraw/zinc/79/27/10/1017792710.db2.gz QUURMIOFZRXECZ-UFBFGSQYSA-N -1 0 318.337 -0.404 20 0 DBADRM Cn1nccc1C(=O)NC[C@@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001601032268 1017793024 /nfs/dbraw/zinc/79/30/24/1017793024.db2.gz ZEQOLDXOKPSTED-SECBINFHSA-N -1 0 320.309 -0.889 20 0 DBADRM Cn1nccc1[C@@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-] ZINC001601033037 1017793095 /nfs/dbraw/zinc/79/30/95/1017793095.db2.gz QUURMIOFZRXECZ-PRHODGIISA-N -1 0 318.337 -0.404 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC001601039104 1017794018 /nfs/dbraw/zinc/79/40/18/1017794018.db2.gz ZMCOHOHMCZLKDC-UHFFFAOYSA-N -1 0 303.278 -0.748 20 0 DBADRM Cn1ncnc1CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC001601038858 1017794551 /nfs/dbraw/zinc/79/45/51/1017794551.db2.gz OXDADXVQWYFAQO-MNOVXSKESA-N -1 0 307.354 -0.384 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001601039032 1017794658 /nfs/dbraw/zinc/79/46/58/1017794658.db2.gz XEKFDWUFSCPZPG-VHSXEESVSA-N -1 0 308.338 -0.264 20 0 DBADRM Cn1nccc1[C@@H]1COCCN1CN1C[C@H](C(=O)[O-])CC1=O ZINC001601037916 1017795056 /nfs/dbraw/zinc/79/50/56/1017795056.db2.gz NELKAZXEOAZSLH-PWSUYJOCSA-N -1 0 308.338 -0.316 20 0 DBADRM Cn1ncnc1CN1CC=C(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001601038734 1017795105 /nfs/dbraw/zinc/79/51/05/1017795105.db2.gz JUORAXSKASRXJM-NEPJUHHUSA-N -1 0 319.365 -0.216 20 0 DBADRM Cn1[nH]cnc1=NC(=O)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001601039368 1017795294 /nfs/dbraw/zinc/79/52/94/1017795294.db2.gz FJPGIYNYXSNFCK-UHFFFAOYSA-N -1 0 317.305 -0.881 20 0 DBADRM Cn1nccc1[C@@H]1COCCN1C(=O)NC[C@H](F)C(=O)[O-] ZINC001601038116 1017795605 /nfs/dbraw/zinc/79/56/05/1017795605.db2.gz PVRKAJYUHIEESB-WPRPVWTQSA-N -1 0 300.290 -0.074 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001601039029 1017795783 /nfs/dbraw/zinc/79/57/83/1017795783.db2.gz XEKFDWUFSCPZPG-NXEZZACHSA-N -1 0 308.338 -0.264 20 0 DBADRM Cn1ncnc1S(=O)(=O)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001601039250 1017795846 /nfs/dbraw/zinc/79/58/46/1017795846.db2.gz AJMZQUDUHZQUCM-UHFFFAOYSA-N -1 0 324.318 -0.074 20 0 DBADRM Cn1nccc1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001601037810 1017796013 /nfs/dbraw/zinc/79/60/13/1017796013.db2.gz JJVCLCKYHMHUKL-UHFFFAOYSA-N -1 0 310.310 -0.644 20 0 DBADRM Cn1ncnc1CN1CC=C(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001601038735 1017796134 /nfs/dbraw/zinc/79/61/34/1017796134.db2.gz JUORAXSKASRXJM-NWDGAFQWSA-N -1 0 319.365 -0.216 20 0 DBADRM Cn1nccc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001601038071 1017796192 /nfs/dbraw/zinc/79/61/92/1017796192.db2.gz OVNFTAXKDZPXFV-DMWPJOQESA-N -1 0 320.349 -0.553 20 0 DBADRM Cn1ncnc1C1(O)CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC001601039039 1017796425 /nfs/dbraw/zinc/79/64/25/1017796425.db2.gz XKMXUIAIVQXZHY-UHFFFAOYSA-N -1 0 320.349 -0.120 20 0 DBADRM Cn1nnc2c1C[C@@H](C(=O)NC[C@@]1(C(=O)[O-])CCOC1)CC2 ZINC001601042377 1017796863 /nfs/dbraw/zinc/79/68/63/1017796863.db2.gz LPTNDGCOQIGJSC-XPTSAGLGSA-N -1 0 308.338 -0.473 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)NCc1ocnc1C(=O)[O-])CC2 ZINC001601042136 1017797099 /nfs/dbraw/zinc/79/70/99/1017797099.db2.gz IHLKDCJYTBKTSX-SSDOTTSWSA-N -1 0 305.294 -0.077 20 0 DBADRM Cn1nnc(CNC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CCC2)n1 ZINC001601040993 1017797530 /nfs/dbraw/zinc/79/75/30/1017797530.db2.gz YKHBTIRQGILDSM-DTWKUNHWSA-N -1 0 308.342 -0.941 20 0 DBADRM Cn1nnc(CNS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC001601040492 1017797647 /nfs/dbraw/zinc/79/76/47/1017797647.db2.gz KGCFDIYSDROHIX-JGVFFNPUSA-N -1 0 303.344 -0.727 20 0 DBADRM Cn1nnc(C(=O)N2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)n1 ZINC001601039790 1017798791 /nfs/dbraw/zinc/79/87/91/1017798791.db2.gz PWYSYGLTNLVXIW-ZDUSSCGKSA-N -1 0 309.326 -0.568 20 0 DBADRM Cn1nnc2cc(NC(=O)C(=O)NC3(C(=O)[O-])CC3)ccc21 ZINC001601041513 1017799644 /nfs/dbraw/zinc/79/96/44/1017799644.db2.gz LLQCCAARXDFVFU-UHFFFAOYSA-N -1 0 303.278 -0.360 20 0 DBADRM Cn1nnc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)c1C(F)F ZINC001601041129 1017799668 /nfs/dbraw/zinc/79/96/68/1017799668.db2.gz RWBVSVCBFJOKKB-SNVBAGLBSA-N -1 0 305.241 -0.194 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC001601043449 1017800731 /nfs/dbraw/zinc/80/07/31/1017800731.db2.gz UGQOWRBGSBPEGO-UHFFFAOYSA-N -1 0 303.278 -0.748 20 0 DBADRM Cn1nnnc1CCCNC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001601044239 1017800767 /nfs/dbraw/zinc/80/07/67/1017800767.db2.gz KSSJZEDGCDSHKI-JTQLQIEISA-N -1 0 310.358 -0.057 20 0 DBADRM Cn1nnc2cc(C(=O)N3CCC[C@H](O)[C@H]3C(=O)[O-])cnc21 ZINC001601044005 1017800832 /nfs/dbraw/zinc/80/08/32/1017800832.db2.gz WEROGLNQQPKZLB-UWVGGRQHSA-N -1 0 305.294 -0.587 20 0 DBADRM Cn1nnnc1CCCNC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001601044191 1017800835 /nfs/dbraw/zinc/80/08/35/1017800835.db2.gz IAUHYISZJWIHSD-YTWAJWBKSA-N -1 0 322.369 -0.059 20 0 DBADRM Cn1nncc1C1(O)CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1 ZINC001601043487 1017801009 /nfs/dbraw/zinc/80/10/09/1017801009.db2.gz VMKQGOOZHHSHCU-UHFFFAOYSA-N -1 0 320.349 -0.120 20 0 DBADRM Cn1nnnc1CCNC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001601045474 1017801184 /nfs/dbraw/zinc/80/11/84/1017801184.db2.gz ACTDXKMQZJOJPU-UHFFFAOYSA-N -1 0 322.329 -0.410 20 0 DBADRM Cn1nnc2c1C[C@H](C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)CC2 ZINC001601043507 1017801195 /nfs/dbraw/zinc/80/11/95/1017801195.db2.gz UKVZTGUFHPIOJN-UTLUCORTSA-N -1 0 308.338 -0.786 20 0 DBADRM Cn1nnnc1CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC001601046585 1017801795 /nfs/dbraw/zinc/80/17/95/1017801795.db2.gz ODWILZULCVVCRA-GHMZBOCLSA-N -1 0 322.369 -0.599 20 0 DBADRM Cn1nnnc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001601046597 1017802080 /nfs/dbraw/zinc/80/20/80/1017802080.db2.gz OFBHHNGZUZIBEH-VLEAKVRGSA-N -1 0 320.353 -0.894 20 0 DBADRM NC(=O)C(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(C(=O)[O-])n1)CC2 ZINC001601136279 1017808201 /nfs/dbraw/zinc/80/82/01/1017808201.db2.gz AJLQCFVXRIHGBP-RMLUDKJBSA-N -1 0 319.321 -0.722 20 0 DBADRM NC(=O)C1(NCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1 ZINC001601138518 1017808511 /nfs/dbraw/zinc/80/85/11/1017808511.db2.gz JFUVBCLVGYQRGU-GFCCVEGCSA-N -1 0 317.345 -0.368 20 0 DBADRM NC(=O)[C@@H](F)C1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1 ZINC001601137839 1017808539 /nfs/dbraw/zinc/80/85/39/1017808539.db2.gz DZRIUUYETXTVIE-VIFPVBQESA-N -1 0 322.358 -0.284 20 0 DBADRM NC(=O)C1(NC(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC001601139430 1017808817 /nfs/dbraw/zinc/80/88/17/1017808817.db2.gz URZKDRYFLKQSBR-UHFFFAOYSA-N -1 0 321.289 -0.777 20 0 DBADRM NC(=O)C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(C(=O)[O-])n1 ZINC001601137351 1017809108 /nfs/dbraw/zinc/80/91/08/1017809108.db2.gz NZHVSDPYZFCRQM-RKDXNWHRSA-N -1 0 319.321 -0.770 20 0 DBADRM NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001601137533 1017809117 /nfs/dbraw/zinc/80/91/17/1017809117.db2.gz URWQJWBDUMYJSS-PSASIEDQSA-N -1 0 321.337 -0.253 20 0 DBADRM NC(=O)[C@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)c1ccccc1 ZINC001601139590 1017809362 /nfs/dbraw/zinc/80/93/62/1017809362.db2.gz MPDSSMMPQPEZGL-SNVBAGLBSA-N -1 0 312.347 -0.003 20 0 DBADRM NC(=O)C12CCC(CC1)N2S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001601141679 1017809674 /nfs/dbraw/zinc/80/96/74/1017809674.db2.gz PQFULQNYULUPQQ-UHFFFAOYSA-N -1 0 314.323 -0.721 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)/C=C\c2cc(C(=O)[O-])co2)C1 ZINC001601141599 1017809731 /nfs/dbraw/zinc/80/97/31/1017809731.db2.gz OIPCETMMNBSPTA-IYABHPQVSA-N -1 0 307.262 -0.263 20 0 DBADRM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001601140830 1017809970 /nfs/dbraw/zinc/80/99/70/1017809970.db2.gz DLJDVUJQKOWUKA-LAEOZQHASA-N -1 0 307.310 -0.911 20 0 DBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)CCCC(=O)[O-] ZINC001601142083 1017810074 /nfs/dbraw/zinc/81/00/74/1017810074.db2.gz UMYJTTSQLOMWBE-KKZNHRDASA-N -1 0 304.368 -0.233 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)O1 ZINC001601142146 1017810229 /nfs/dbraw/zinc/81/02/29/1017810229.db2.gz HPGUFMSATPQROF-ZRUFSTJUSA-N -1 0 314.338 -0.452 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])co2)O1 ZINC001601143142 1017810380 /nfs/dbraw/zinc/81/03/80/1017810380.db2.gz ZXQKIIAISUYXHG-JGVFFNPUSA-N -1 0 318.307 -0.711 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)c2ccccc2C(=O)[O-])C[C@H]1C(N)=O ZINC001601145318 1017810835 /nfs/dbraw/zinc/81/08/35/1017810835.db2.gz FDDVFDQOHFLEFO-NXEZZACHSA-N -1 0 305.290 -0.956 20 0 DBADRM NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])s2)CCO1 ZINC001601145320 1017810846 /nfs/dbraw/zinc/81/08/46/1017810846.db2.gz FDJJJSFXANCHHR-LURJTMIESA-N -1 0 320.348 -0.679 20 0 DBADRM NC(=O)CC(=O)NCC1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001601145425 1017811052 /nfs/dbraw/zinc/81/10/52/1017811052.db2.gz HCDUHRGPPVIQLA-UHFFFAOYSA-N -1 0 321.337 -0.617 20 0 DBADRM NC(=O)CC(=O)N[C@H]1CCC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001601144955 1017811557 /nfs/dbraw/zinc/81/15/57/1017811557.db2.gz AGDAKDDGFBELRX-IUCAKERBSA-N -1 0 321.337 -0.689 20 0 DBADRM NC(=O)C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CCO1 ZINC001601148397 1017811928 /nfs/dbraw/zinc/81/19/28/1017811928.db2.gz MVHOTTQARZCFGH-OUAUKWLOSA-N -1 0 313.354 -0.084 20 0 DBADRM NC(=O)CC(=O)N[C@H]1CCC[C@H]1CNc1ccnc(C(=O)[O-])n1 ZINC001601146769 1017811979 /nfs/dbraw/zinc/81/19/79/1017811979.db2.gz UUZBCRDUBUPARX-IUCAKERBSA-N -1 0 321.337 -0.831 20 0 DBADRM NC(=O)CC(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCCC1 ZINC001601146404 1017812046 /nfs/dbraw/zinc/81/20/46/1017812046.db2.gz SKOKIQUQUZMJMB-BDAKNGLRSA-N -1 0 311.338 -0.872 20 0 DBADRM NC(=O)C[C@H]1CN(C(=O)NC[C@H](CC(=O)[O-])C2CC2)CCO1 ZINC001601147815 1017812094 /nfs/dbraw/zinc/81/20/94/1017812094.db2.gz FWVWDRASVBXXDW-QWRGUYRKSA-N -1 0 313.354 -0.227 20 0 DBADRM NC(=O)C[C@H]1CCCN(S(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001601148794 1017812380 /nfs/dbraw/zinc/81/23/80/1017812380.db2.gz VJEQMLGLUKFAID-SECBINFHSA-N -1 0 304.368 -0.232 20 0 DBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001601146623 1017812659 /nfs/dbraw/zinc/81/26/59/1017812659.db2.gz YIOYOEPIXWKMMF-RKDXNWHRSA-N -1 0 309.326 -0.616 20 0 DBADRM NC(=O)C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)[O-])CCO1 ZINC001601148091 1017812789 /nfs/dbraw/zinc/81/27/89/1017812789.db2.gz KJRDEXNGTSQIDN-SNVBAGLBSA-N -1 0 321.333 -0.101 20 0 DBADRM NC(=O)CCCC(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001601149183 1017813036 /nfs/dbraw/zinc/81/30/36/1017813036.db2.gz ODGUKHDGGYUFBW-AOOOYVTPSA-N -1 0 321.337 -0.111 20 0 DBADRM NC(=O)CSCC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001601152285 1017813334 /nfs/dbraw/zinc/81/33/34/1017813334.db2.gz OFJOBZSWTKUILG-NSHDSACASA-N -1 0 301.324 -0.963 20 0 DBADRM NC(=O)CN1CCC[C@@H](NC(=O)CCSCC(=O)[O-])C1 ZINC001601150664 1017813390 /nfs/dbraw/zinc/81/33/90/1017813390.db2.gz CYUDMXGPXJCNGO-SECBINFHSA-N -1 0 303.384 -0.740 20 0 DBADRM NC(=O)C[C@@H]1COCCN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001601149188 1017813782 /nfs/dbraw/zinc/81/37/82/1017813782.db2.gz VOUMNDJGMHITOX-GFCCVEGCSA-N -1 0 321.333 -0.101 20 0 DBADRM NC(=O)CSCC(=O)NC[C@H](Cc1ccncc1)C(=O)[O-] ZINC001601152013 1017813922 /nfs/dbraw/zinc/81/39/22/1017813922.db2.gz KSBXZAWUAAGNAE-JTQLQIEISA-N -1 0 311.363 -0.340 20 0 DBADRM NC(=O)CCNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC001601150255 1017813970 /nfs/dbraw/zinc/81/39/70/1017813970.db2.gz NTMBZHJUKFRASE-UHFFFAOYSA-N -1 0 313.697 -0.032 20 0 DBADRM NC(=O)CCNS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001601150070 1017813998 /nfs/dbraw/zinc/81/39/98/1017813998.db2.gz ANQWCNXUPUAUJH-UHFFFAOYSA-N -1 0 304.299 -0.394 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001601152605 1017814286 /nfs/dbraw/zinc/81/42/86/1017814286.db2.gz VOOQYUCAIXZJMM-QWRGUYRKSA-N -1 0 322.317 -0.542 20 0 DBADRM NC(=O)CNC(=S)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001601152893 1017814413 /nfs/dbraw/zinc/81/44/13/1017814413.db2.gz VXMZIVCLLPFSRA-WDEREUQCSA-N -1 0 323.374 -0.148 20 0 DBADRM NC(=O)Cn1cc(CN(CCC(F)(F)F)CC(=O)[O-])nn1 ZINC001601153416 1017814531 /nfs/dbraw/zinc/81/45/31/1017814531.db2.gz MSFUOMBJWTZYKH-UHFFFAOYSA-N -1 0 309.248 -0.398 20 0 DBADRM NC(=O)C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccccc1 ZINC001601153547 1017814589 /nfs/dbraw/zinc/81/45/89/1017814589.db2.gz VURRRNAXNJQDBV-JTQLQIEISA-N -1 0 317.305 -0.291 20 0 DBADRM NC(=O)N1CCC[C@@H](C(=O)OCCn2cc(C(=O)[O-])nn2)C1 ZINC001601154422 1017814832 /nfs/dbraw/zinc/81/48/32/1017814832.db2.gz HDHJZHPRXHUQDB-MRVPVSSYSA-N -1 0 311.298 -0.690 20 0 DBADRM NC(=O)CNC(=S)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001601152385 1017814926 /nfs/dbraw/zinc/81/49/26/1017814926.db2.gz OKGSFXXEWCSDHM-RITPCOANSA-N -1 0 313.301 -0.069 20 0 DBADRM NC(=O)Cn1cc(NC(=O)C23CC(C(=O)[O-])(C2)C3)ccc1=O ZINC001601154545 1017815001 /nfs/dbraw/zinc/81/50/01/1017815001.db2.gz NRUFEQFYFGJFLE-UHFFFAOYSA-N -1 0 305.290 -0.473 20 0 DBADRM NC(=O)N[C@H](CC(=O)N[C@@H](CO)C(=O)[O-])c1cccs1 ZINC001601158215 1017815328 /nfs/dbraw/zinc/81/53/28/1017815328.db2.gz MPOSVMZLTFEBFX-RQJHMYQMSA-N -1 0 301.324 -0.591 20 0 DBADRM NC(=O)N[C@@H]1CCN(C(=O)Nc2cccc(CC(=O)[O-])n2)C1 ZINC001601157729 1017815348 /nfs/dbraw/zinc/81/53/48/1017815348.db2.gz GDAPOGBNCHPEQK-SECBINFHSA-N -1 0 307.310 -0.017 20 0 DBADRM NC(=O)NC1(C(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])CC1 ZINC001601158915 1017815457 /nfs/dbraw/zinc/81/54/57/1017815457.db2.gz YXRPVHVXIRRUMH-SECBINFHSA-N -1 0 307.306 -0.295 20 0 DBADRM NC(=O)NC1(C(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])CC1 ZINC001601158266 1017815665 /nfs/dbraw/zinc/81/56/65/1017815665.db2.gz ODJZQLJFLOCUSB-SNVBAGLBSA-N -1 0 306.322 -0.358 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])O1 ZINC001601156839 1017815785 /nfs/dbraw/zinc/81/57/85/1017815785.db2.gz FTLPWSYJNCJRLX-SDDRHHMPSA-N -1 0 321.333 -0.526 20 0 DBADRM NC(=O)NC1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001601158351 1017815864 /nfs/dbraw/zinc/81/58/64/1017815864.db2.gz XYHBXVWDUFOCGT-UHFFFAOYSA-N -1 0 317.323 -0.201 20 0 DBADRM NC(=O)N[C@H](CC(=O)NC[C@@H](O)CC(=O)[O-])c1cccs1 ZINC001601158817 1017816228 /nfs/dbraw/zinc/81/62/28/1017816228.db2.gz VXYPXDVFHGIWPF-JGVFFNPUSA-N -1 0 315.351 -0.201 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NC(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001601159710 1017816482 /nfs/dbraw/zinc/81/64/82/1017816482.db2.gz GTVYELYHNCUSOS-DTWKUNHWSA-N -1 0 307.306 -0.683 20 0 DBADRM NC(=O)c1ccc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001601162760 1017816536 /nfs/dbraw/zinc/81/65/36/1017816536.db2.gz LRBMXFBLGOMMBQ-JGVFFNPUSA-N -1 0 321.289 -0.960 20 0 DBADRM NC(=O)c1cc(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)on1 ZINC001601161113 1017817213 /nfs/dbraw/zinc/81/72/13/1017817213.db2.gz WOALYGGAEWFSCR-MRVPVSSYSA-N -1 0 312.282 -0.841 20 0 DBADRM NC(=O)c1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)co1 ZINC001601164245 1017817666 /nfs/dbraw/zinc/81/76/66/1017817666.db2.gz WEHIYOLCMVPZHA-IUCAKERBSA-N -1 0 321.289 -0.960 20 0 DBADRM NC(=O)c1cc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)co1 ZINC001601164122 1017817729 /nfs/dbraw/zinc/81/77/29/1017817729.db2.gz UEPDSTRDNYATHA-CYBMUJFWSA-N -1 0 307.262 -0.176 20 0 DBADRM NC(=O)c1cccc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)n1 ZINC001601167997 1017817824 /nfs/dbraw/zinc/81/78/24/1017817824.db2.gz DNIMPAVSUYIZNZ-UHFFFAOYSA-N -1 0 318.289 -0.805 20 0 DBADRM NC(=O)c1cccc(NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)n1 ZINC001601168492 1017818050 /nfs/dbraw/zinc/81/80/50/1017818050.db2.gz YFTNXEIZDFVKJF-NSHDSACASA-N -1 0 322.321 -0.130 20 0 DBADRM NC(=O)c1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)nc1 ZINC001601164002 1017818169 /nfs/dbraw/zinc/81/81/69/1017818169.db2.gz ZXERJZQZHCKWFE-UHFFFAOYSA-N -1 0 307.306 -0.114 20 0 DBADRM NC(=O)c1c[nH]c(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])c1 ZINC001601163694 1017818205 /nfs/dbraw/zinc/81/82/05/1017818205.db2.gz MBRQYCAZXQKACJ-MRVPVSSYSA-N -1 0 311.294 -0.550 20 0 DBADRM NC(=O)c1cccc(NC(=O)N2CCC(O)(C(=O)[O-])CC2)n1 ZINC001601167988 1017818295 /nfs/dbraw/zinc/81/82/95/1017818295.db2.gz CUPSRYMOINUHOX-UHFFFAOYSA-N -1 0 308.294 -0.376 20 0 DBADRM NC(=O)c1ccc(OCCC(=O)NCCOCC(=O)[O-])cc1 ZINC001601167425 1017818405 /nfs/dbraw/zinc/81/84/05/1017818405.db2.gz QBCOSEBHDLGTAB-UHFFFAOYSA-N -1 0 310.306 -0.228 20 0 DBADRM NC(=O)c1ccc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)nc1 ZINC001601164517 1017818478 /nfs/dbraw/zinc/81/84/78/1017818478.db2.gz HCWHEZRPBWWWGT-SNVBAGLBSA-N -1 0 321.289 -0.587 20 0 DBADRM NC(=O)c1cccc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])n1 ZINC001601168909 1017818819 /nfs/dbraw/zinc/81/88/19/1017818819.db2.gz HQSVHDQCUMYUSJ-LDYMZIIASA-N -1 0 307.306 -0.067 20 0 DBADRM NC(=O)c1ncn(C2CCN(C(=O)CCCC(=O)[O-])CC2)c1N ZINC001601172996 1017818823 /nfs/dbraw/zinc/81/88/23/1017818823.db2.gz DRMQMGUFEQDCIU-UHFFFAOYSA-N -1 0 323.353 -0.017 20 0 DBADRM NC(=O)c1nccnc1C(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001601172710 1017818891 /nfs/dbraw/zinc/81/88/91/1017818891.db2.gz XOJUFQLXYQMTDE-UHFFFAOYSA-N -1 0 321.318 -0.297 20 0 DBADRM NC(=O)c1cnc(NC(=O)NC[C@]2(C(=O)[O-])CCOC2)s1 ZINC001601169963 1017818909 /nfs/dbraw/zinc/81/89/09/1017818909.db2.gz LQBUSNBEFFVIGJ-LLVKDONJSA-N -1 0 314.323 -0.145 20 0 DBADRM NC(=O)c1nccnc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001601172728 1017818933 /nfs/dbraw/zinc/81/89/33/1017818933.db2.gz ZCDDEKRAUZWBQL-MRVPVSSYSA-N -1 0 304.306 -0.098 20 0 DBADRM NC(=O)c1cnn2c1nccc2C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC001601170704 1017818982 /nfs/dbraw/zinc/81/89/82/1017818982.db2.gz JYIQEAQGMNYLMU-SECBINFHSA-N -1 0 303.278 -0.579 20 0 DBADRM NC(=O)c1cnc(NC(=O)NC[C@@]2(C(=O)[O-])CCOC2)s1 ZINC001601169964 1017819161 /nfs/dbraw/zinc/81/91/61/1017819161.db2.gz LQBUSNBEFFVIGJ-NSHDSACASA-N -1 0 314.323 -0.145 20 0 DBADRM NC(=O)c1cn(C2CN(C(=O)C34CC(C(=O)[O-])(C3)C4)C2)nn1 ZINC001601170909 1017819195 /nfs/dbraw/zinc/81/91/95/1017819195.db2.gz GDTQFPMBAWNDGM-UHFFFAOYSA-N -1 0 305.294 -0.985 20 0 DBADRM NC(=O)c1cnc(C(=O)NC[C@@H](O)CC(=O)[O-])c(Cl)c1 ZINC001601169777 1017819209 /nfs/dbraw/zinc/81/92/09/1017819209.db2.gz GOKHGNKEWXVYMZ-LURJTMIESA-N -1 0 301.686 -0.601 20 0 DBADRM NC(=O)c1nccnc1C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC001601172743 1017819261 /nfs/dbraw/zinc/81/92/61/1017819261.db2.gz ZSBJNQWQUXQGEQ-SCSAIBSYSA-N -1 0 306.200 -0.289 20 0 DBADRM NC(=O)c1ncccc1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001601172231 1017819307 /nfs/dbraw/zinc/81/93/07/1017819307.db2.gz OHJTUUGURCJPDJ-QMMMGPOBSA-N -1 0 309.278 -0.874 20 0 DBADRM NC(=O)c1ccccc1CCC(=O)OCC(=O)NCC(=O)[O-] ZINC001601169906 1017819564 /nfs/dbraw/zinc/81/95/64/1017819564.db2.gz LRHNKWPQTHPQLQ-UHFFFAOYSA-N -1 0 308.290 -0.538 20 0 DBADRM NC(=O)c1cccc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])n1 ZINC001601168906 1017819629 /nfs/dbraw/zinc/81/96/29/1017819629.db2.gz HQSVHDQCUMYUSJ-KWQFWETISA-N -1 0 307.306 -0.067 20 0 DBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001601192003 1017822230 /nfs/dbraw/zinc/82/22/30/1017822230.db2.gz GEHFEVNIDRVPQA-SSDOTTSWSA-N -1 0 314.323 -0.326 20 0 DBADRM NS(=O)(=O)C1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC001601192652 1017822672 /nfs/dbraw/zinc/82/26/72/1017822672.db2.gz RTNVDCNKSOAHST-UHFFFAOYSA-N -1 0 310.397 -0.526 20 0 DBADRM NS(=O)(=O)C1(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])CC1 ZINC001601192833 1017822927 /nfs/dbraw/zinc/82/29/27/1017822927.db2.gz VMCWEVNRVTWBJX-BYPYZUCNSA-N -1 0 304.246 -0.671 20 0 DBADRM NS(=O)(=O)C1CCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC001601192863 1017823337 /nfs/dbraw/zinc/82/33/37/1017823337.db2.gz WGMAKRSGHXJDFW-UHFFFAOYSA-N -1 0 313.335 -0.327 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN(c2cnc(C(=O)[O-])cn2)C1 ZINC001601194466 1017823430 /nfs/dbraw/zinc/82/34/30/1017823430.db2.gz SFOJODPLYNGGIH-MRVPVSSYSA-N -1 0 300.340 -0.320 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(c2nccnc2C(=O)[O-])C1 ZINC001601193644 1017823469 /nfs/dbraw/zinc/82/34/69/1017823469.db2.gz DHQPWQGZQWMPAX-QMMMGPOBSA-N -1 0 300.340 -0.320 20 0 DBADRM NS(=O)(=O)CCCCCCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001601193029 1017823767 /nfs/dbraw/zinc/82/37/67/1017823767.db2.gz JJSWCKDWXTVFCI-ZJUUUORDSA-N -1 0 322.383 -0.728 20 0 DBADRM NS(=O)(=O)CCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC001601193239 1017823881 /nfs/dbraw/zinc/82/38/81/1017823881.db2.gz RIMXEVUUIPLYQG-LLVKDONJSA-N -1 0 300.336 -0.003 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001601193642 1017823961 /nfs/dbraw/zinc/82/39/61/1017823961.db2.gz DCJCLSMBCQBTCM-ZETCQYMHSA-N -1 0 301.324 -0.394 20 0 DBADRM NS(=O)(=O)CCCC(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001601193171 1017823975 /nfs/dbraw/zinc/82/39/75/1017823975.db2.gz ONKKASGEWRKVSW-UHFFFAOYSA-N -1 0 301.324 -0.535 20 0 DBADRM NS(=O)(=O)CCCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001601193261 1017823999 /nfs/dbraw/zinc/82/39/99/1017823999.db2.gz RZKPJYJASWHHKA-UHFFFAOYSA-N -1 0 307.353 -0.223 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])on2)C1 ZINC001601193888 1017824118 /nfs/dbraw/zinc/82/41/18/1017824118.db2.gz ITTQTBFRBIWPFG-ZETCQYMHSA-N -1 0 317.323 -0.487 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC3CC2(C(=O)[O-])C3)ccn1 ZINC001601196295 1017824249 /nfs/dbraw/zinc/82/42/49/1017824249.db2.gz XDMFWJJPVWFXDG-UHFFFAOYSA-N -1 0 311.319 -0.582 20 0 DBADRM NS(=O)(=O)c1cc(CN2CCO[C@H](CC(=O)[O-])C2)co1 ZINC001601197108 1017824370 /nfs/dbraw/zinc/82/43/70/1017824370.db2.gz ZOAATEJDNZJDDS-SECBINFHSA-N -1 0 304.324 -0.398 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])cc1 ZINC001601197237 1017824619 /nfs/dbraw/zinc/82/46/19/1017824619.db2.gz SDRWUGZAEOAIPS-WPRPVWTQSA-N -1 0 316.310 -0.029 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H](CF)C(=O)[O-])ccc1F ZINC001601196223 1017824685 /nfs/dbraw/zinc/82/46/85/1017824685.db2.gz TZSRTTNJCAYKKR-ZETCQYMHSA-N -1 0 308.262 -0.374 20 0 DBADRM NS(=O)(=O)NC1CCN(Cc2cc(C(=O)[O-])no2)CC1 ZINC001601195042 1017825267 /nfs/dbraw/zinc/82/52/67/1017825267.db2.gz DQQRAXYQLPQPOG-UHFFFAOYSA-N -1 0 304.328 -0.870 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)OCCCC(=O)C(=O)[O-])cs1 ZINC001601195624 1017824764 /nfs/dbraw/zinc/82/47/64/1017824764.db2.gz CMJJMIFIPHGBHD-UHFFFAOYSA-N -1 0 321.332 -0.014 20 0 DBADRM NS(=O)(=O)C[C@H]1CCCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC001601194835 1017824841 /nfs/dbraw/zinc/82/48/41/1017824841.db2.gz YRLRQYWZQWCXFY-VIFPVBQESA-N -1 0 314.367 -0.325 20 0 DBADRM NS(=O)(=O)c1cc(CN2CCO[C@@H](CC(=O)[O-])C2)co1 ZINC001601197109 1017824867 /nfs/dbraw/zinc/82/48/67/1017824867.db2.gz ZOAATEJDNZJDDS-VIFPVBQESA-N -1 0 304.324 -0.398 20 0 DBADRM NS(=O)(=O)N1CCC(C(=O)OCC2(CC(=O)[O-])CC2)CC1 ZINC001601194884 1017825167 /nfs/dbraw/zinc/82/51/67/1017825167.db2.gz VDIWELFNUUAUHU-UHFFFAOYSA-N -1 0 320.367 -0.300 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CCOCC2)co1 ZINC001601196180 1017825216 /nfs/dbraw/zinc/82/52/16/1017825216.db2.gz RQPJCTOPVCISIA-UHFFFAOYSA-N -1 0 318.307 -0.709 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)NCCOCC(=O)[O-])cs1 ZINC001601197569 1017826019 /nfs/dbraw/zinc/82/60/19/1017826019.db2.gz ADGPRLLTUQKJGU-UHFFFAOYSA-N -1 0 323.352 -0.382 20 0 DBADRM Nc1ccc(S(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)c(F)c1 ZINC001601216762 1017827174 /nfs/dbraw/zinc/82/71/74/1017827174.db2.gz PMMGEQVPZXYKQS-UHFFFAOYSA-N -1 0 318.326 -0.088 20 0 DBADRM Nc1ccc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)cc1 ZINC001601216761 1017827468 /nfs/dbraw/zinc/82/74/68/1017827468.db2.gz PLRGRIADTZWYOY-UHFFFAOYSA-N -1 0 300.336 -0.131 20 0 DBADRM Nc1ncn(CC(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)n1 ZINC001601222317 1017827894 /nfs/dbraw/zinc/82/78/94/1017827894.db2.gz RRTFBPDQNGERKY-UHFFFAOYSA-N -1 0 317.305 -0.020 20 0 DBADRM Nc1ncnc2c1ncn2CCCC(=O)N[C@H](CF)C(=O)[O-] ZINC001601222389 1017827972 /nfs/dbraw/zinc/82/79/72/1017827972.db2.gz WJOCNVHCFOLKEP-SSDOTTSWSA-N -1 0 310.289 -0.272 20 0 DBADRM Nc1ncc(S(=O)(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cn1 ZINC001601221014 1017828046 /nfs/dbraw/zinc/82/80/46/1017828046.db2.gz FHLSWGHZIJSENA-SECBINFHSA-N -1 0 312.351 -0.066 20 0 DBADRM Nc1nnc(C2CCN([C@@H]3CCN(CCC(=O)[O-])C3=O)CC2)o1 ZINC001601223385 1017828553 /nfs/dbraw/zinc/82/85/53/1017828553.db2.gz YVAAVULQNQZYFE-SNVBAGLBSA-N -1 0 323.353 -0.093 20 0 DBADRM Nc1nccc2c1CN(C(=O)Cn1cc(C(=O)[O-])nn1)CC2 ZINC001601221950 1017828674 /nfs/dbraw/zinc/82/86/74/1017828674.db2.gz SPUXUBRLAAFAKX-UHFFFAOYSA-N -1 0 302.294 -0.462 20 0 DBADRM Nc1ncnc2c1ncn2CCC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001601222463 1017828729 /nfs/dbraw/zinc/82/87/29/1017828729.db2.gz ZUGRCAFTZXAURL-CYBMUJFWSA-N -1 0 320.309 -0.842 20 0 DBADRM Nc1nnc(CC(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)s1 ZINC001601223881 1017828734 /nfs/dbraw/zinc/82/87/34/1017828734.db2.gz HYLCVVDUZSBMRP-NKWVEPMBSA-N -1 0 300.340 -0.484 20 0 DBADRM Nc1nccnc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001601221850 1017828741 /nfs/dbraw/zinc/82/87/41/1017828741.db2.gz CWVVWGROFZNCBT-BZNPZCIMSA-N -1 0 319.321 -0.844 20 0 DBADRM Nc1nnc(CC(=O)N[C@]2(CC(=O)[O-])CCCOC2)s1 ZINC001601224520 1017829203 /nfs/dbraw/zinc/82/92/03/1017829203.db2.gz NRIVULHHEMIXOH-NSHDSACASA-N -1 0 300.340 -0.197 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C(=O)N3CC(F)C3)C[C@H]1COCC2 ZINC001601224858 1017829335 /nfs/dbraw/zinc/82/93/35/1017829335.db2.gz PZUPRKLFVGNKTF-ISVAXAHUSA-N -1 0 300.286 -0.884 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N2CC[C@H](c3ccccc3)C2)C1 ZINC001601226080 1017829433 /nfs/dbraw/zinc/82/94/33/1017829433.db2.gz WFALZEIPBKBKRT-LBPRGKRZSA-N -1 0 318.329 -0.340 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)C(=O)N3CC[C@H](F)C3)C[C@H]1COCC2 ZINC001601224438 1017829648 /nfs/dbraw/zinc/82/96/48/1017829648.db2.gz OGFCRWOIEFNBJZ-PKFCDNJMSA-N -1 0 314.313 -0.494 20 0 DBADRM O=C([O-])[C@]1(N2CCN(C(=O)C(=O)c3ccc[nH]3)CC2)CCOC1 ZINC001601225140 1017829687 /nfs/dbraw/zinc/82/96/87/1017829687.db2.gz IDUKYPNELDFIHD-HNNXBMFYSA-N -1 0 321.333 -0.415 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H]1CO)C2 ZINC001601225911 1017829895 /nfs/dbraw/zinc/82/98/95/1017829895.db2.gz QYVIANFQTGMLCL-RWSFTLGLSA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)CC2CCC2)n1 ZINC001601253226 1017830432 /nfs/dbraw/zinc/83/04/32/1017830432.db2.gz ZAOMRWGWELRPOP-JTQLQIEISA-N -1 0 308.338 -0.324 20 0 DBADRM O=C(C[C@@H]1CCCS1(=O)=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601257318 1017830746 /nfs/dbraw/zinc/83/07/46/1017830746.db2.gz ZTIGKVAZDVPLLJ-WCABBAIRSA-N -1 0 305.352 -0.440 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)C[C@H]2CCOC2)nc1 ZINC001601256400 1017830771 /nfs/dbraw/zinc/83/07/71/1017830771.db2.gz NAIPVBWXGHAFPO-KOLCDFICSA-N -1 0 324.337 -0.510 20 0 DBADRM O=C(C[C@@H]1CCCOC1)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001601253510 1017830778 /nfs/dbraw/zinc/83/07/78/1017830778.db2.gz AYLAGISVERKCFN-JTQLQIEISA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CCO)(NC(=O)CC2CC2)C1 ZINC001601247881 1017830890 /nfs/dbraw/zinc/83/08/90/1017830890.db2.gz IFVTXUMBUXVFKL-WDEREUQCSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)CC(=O)NCC(F)(F)F)CCOC1 ZINC001601244054 1017830898 /nfs/dbraw/zinc/83/08/98/1017830898.db2.gz NPVDOKTVGKJKGY-JTQLQIEISA-N -1 0 312.244 -0.338 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](NC(=O)CC2(O)CCC2)C1 ZINC001601246755 1017830952 /nfs/dbraw/zinc/83/09/52/1017830952.db2.gz CDWMQXNLTCFYOL-DBIOUOCHSA-N -1 0 310.350 -0.224 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)CCCN2C(=O)CCC2=O)C1(F)F ZINC001601267805 1017831132 /nfs/dbraw/zinc/83/11/32/1017831132.db2.gz BLLWZRWFCFRLAY-CPCISQLKSA-N -1 0 318.276 -0.002 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001601267808 1017831284 /nfs/dbraw/zinc/83/12/84/1017831284.db2.gz BSHZONABZNOJFD-CYBMUJFWSA-N -1 0 314.363 -0.008 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001601257358 1017831587 /nfs/dbraw/zinc/83/15/87/1017831587.db2.gz MBVRSJLPZJNCSH-ZIAGYGMSSA-N -1 0 322.361 -0.161 20 0 DBADRM O=C([O-])[C@@H]1[C@H](CNC(=O)CCC(=O)N2CCOCC2)C1(F)F ZINC001601261152 1017831880 /nfs/dbraw/zinc/83/18/80/1017831880.db2.gz NXXMTELVRCKLJP-KWQFWETISA-N -1 0 320.292 -0.293 20 0 DBADRM O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001601264602 1017832070 /nfs/dbraw/zinc/83/20/70/1017832070.db2.gz LWYIQZOIOSINDM-XHNCKOQMSA-N -1 0 313.310 -0.887 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)CCN2C(=O)CCNC2=S)C1 ZINC001601275863 1017832358 /nfs/dbraw/zinc/83/23/58/1017832358.db2.gz KUMSCKJXCZOEBK-LBPRGKRZSA-N -1 0 317.342 -0.492 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCC(=O)NCc2cccnc2)O1 ZINC001601277741 1017832692 /nfs/dbraw/zinc/83/26/92/1017832692.db2.gz PUEBQKOXAOAPEN-NEPJUHHUSA-N -1 0 321.333 -0.164 20 0 DBADRM O=C(CCOCC1CC1)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001601280915 1017832733 /nfs/dbraw/zinc/83/27/33/1017832733.db2.gz OLMDFAKQIBAQGT-VXGBXAGGSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])C1(CNC(=O)CCc2nc(-c3nc[nH]n3)no2)CC1 ZINC001601295001 1017833610 /nfs/dbraw/zinc/83/36/10/1017833610.db2.gz ZEDCCMDWGKUPMG-UHFFFAOYSA-N -1 0 306.282 -0.232 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)CCc2nnc[nH]2)C1 ZINC001601296503 1017833654 /nfs/dbraw/zinc/83/36/54/1017833654.db2.gz ITDWICTZKGCYQS-ZJUUUORDSA-N -1 0 321.337 -0.967 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC001601295129 1017833778 /nfs/dbraw/zinc/83/37/78/1017833778.db2.gz KICLDCZBTXVACD-JTQLQIEISA-N -1 0 305.290 -0.170 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CCn1cnnn1)c1ccc2c(c1)CCO2 ZINC001601300962 1017833903 /nfs/dbraw/zinc/83/39/03/1017833903.db2.gz SYYMGCMOTPJOQO-ZDUSSCGKSA-N -1 0 317.305 -0.060 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCCNC(=O)CCn1cncn1 ZINC001601300746 1017833964 /nfs/dbraw/zinc/83/39/64/1017833964.db2.gz NWLXXAPJESDPGQ-VHSXEESVSA-N -1 0 309.326 -0.989 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)CCc2nnc[nH]2)C1 ZINC001601296502 1017834056 /nfs/dbraw/zinc/83/40/56/1017834056.db2.gz ITDWICTZKGCYQS-VHSXEESVSA-N -1 0 321.337 -0.967 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)CCn2ccnn2)C1 ZINC001601299330 1017834230 /nfs/dbraw/zinc/83/42/30/1017834230.db2.gz GVCGHSGAEVAZIZ-LMLFDSFASA-N -1 0 321.337 -0.848 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)CCn1cnccc1=O)[C@@H]1CCOC1 ZINC001601300534 1017834367 /nfs/dbraw/zinc/83/43/67/1017834367.db2.gz GTIUQIIFTNKWFP-MNOVXSKESA-N -1 0 309.322 -0.513 20 0 DBADRM O=C([O-])C1(O)CCN(CC(=O)NCC(=O)c2ccccc2)CC1 ZINC001601305196 1017834608 /nfs/dbraw/zinc/83/46/08/1017834608.db2.gz ZOGBKOUYTATNJL-UHFFFAOYSA-N -1 0 320.345 -0.103 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC001601304546 1017835041 /nfs/dbraw/zinc/83/50/41/1017835041.db2.gz UKWXMOOBYXYZGY-CQSZACIVSA-N -1 0 308.290 -0.125 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN1CC(=O)NC(=O)Nc1ccccc1 ZINC001601304376 1017834752 /nfs/dbraw/zinc/83/47/52/1017834752.db2.gz AEXMLSIOAMDGEE-QWRGUYRKSA-N -1 0 307.306 -0.146 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)CN3C(=O)CNC3=O)C[C@H]1CCCC2 ZINC001601302266 1017834927 /nfs/dbraw/zinc/83/49/27/1017834927.db2.gz GCYNIPAWQURPOX-YMTOWFKASA-N -1 0 309.322 -0.358 20 0 DBADRM O=C([O-])C1(NC(=O)CN2CCC(O)(CO)CC2)CCCCC1 ZINC001601303790 1017834936 /nfs/dbraw/zinc/83/49/36/1017834936.db2.gz GQDBAIGUYZGXNU-UHFFFAOYSA-N -1 0 314.382 -0.291 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(CC(=O)NC2CCCC2)C1 ZINC001601305422 1017835016 /nfs/dbraw/zinc/83/50/16/1017835016.db2.gz JWAVAFUETCECIH-RYUDHWBXSA-N -1 0 309.366 -0.434 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001601303950 1017835132 /nfs/dbraw/zinc/83/51/32/1017835132.db2.gz JBXJAYUJEVAZEF-CQSZACIVSA-N -1 0 320.305 -0.272 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)CN3C(=O)CCC3=O)C[C@H]1COCC2 ZINC001601302804 1017835374 /nfs/dbraw/zinc/83/53/74/1017835374.db2.gz LWGDMHYKZZZITB-LKFCYVNXSA-N -1 0 310.306 -0.915 20 0 DBADRM O=C([O-])[C@@H]1CCS(=O)(=O)N1CC(=O)NCc1cccs1 ZINC001601303189 1017835439 /nfs/dbraw/zinc/83/54/39/1017835439.db2.gz NHBLCKCYTGKOOI-VIFPVBQESA-N -1 0 318.376 -0.147 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)CN1C(=O)CCC1=O ZINC001601303782 1017835492 /nfs/dbraw/zinc/83/54/92/1017835492.db2.gz VMCNDHVKYRUCFC-MRVPVSSYSA-N -1 0 320.305 -0.319 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(CC(=O)NC(=O)NC2CCCCC2)C1 ZINC001601304019 1017835559 /nfs/dbraw/zinc/83/55/59/1017835559.db2.gz LEBKNPUFTXQSSE-CQSZACIVSA-N -1 0 313.354 -0.334 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(CC(=O)NCc2cccnc2)CC1 ZINC001601306663 1017835708 /nfs/dbraw/zinc/83/57/08/1017835708.db2.gz XTYBKARKUKFAGS-CQSZACIVSA-N -1 0 307.350 -0.145 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)OCc2ccc[n+]([O-])c2)C1=O ZINC001601309290 1017835810 /nfs/dbraw/zinc/83/58/10/1017835810.db2.gz BMRNQOMBUFBMQL-NSHDSACASA-N -1 0 308.290 -0.314 20 0 DBADRM O=C(CN1CCC[C@H](C(=O)[O-])C1=O)Nc1nnc2n1CCCC2 ZINC001601309997 1017835875 /nfs/dbraw/zinc/83/58/75/1017835875.db2.gz JCGGLWVOYZLTMV-VIFPVBQESA-N -1 0 321.337 -0.124 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NCCc2cnc(=O)[nH]c2)C1=O ZINC001601309543 1017836075 /nfs/dbraw/zinc/83/60/75/1017836075.db2.gz BOXCJSIGMMVSDY-SNVBAGLBSA-N -1 0 322.321 -0.836 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@H]2CCn3ccnc3C2)C1=O ZINC001601307437 1017836216 /nfs/dbraw/zinc/83/62/16/1017836216.db2.gz AMZOQJHWKZOAQD-WDEREUQCSA-N -1 0 320.349 -0.363 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)NCCOC(=O)C1CC1 ZINC001601309490 1017836359 /nfs/dbraw/zinc/83/63/59/1017836359.db2.gz AQLGHCAZOFKOAL-SNVBAGLBSA-N -1 0 312.322 -0.621 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)OC[C@H]1COCCO1 ZINC001601310263 1017836613 /nfs/dbraw/zinc/83/66/13/1017836613.db2.gz MTCKMJHOSYZXAY-NXEZZACHSA-N -1 0 301.295 -0.732 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)CN1CCCCC(=O)C1=O ZINC001601312857 1017836879 /nfs/dbraw/zinc/83/68/79/1017836879.db2.gz AAXBNFRYSZDHLT-SNVBAGLBSA-N -1 0 322.321 -0.966 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)NCCOc2cccnc2)C1=O ZINC001601311577 1017837018 /nfs/dbraw/zinc/83/70/18/1017837018.db2.gz XTRXKLZVHQHFRL-LBPRGKRZSA-N -1 0 321.333 -0.100 20 0 DBADRM O=C(CN1CCCCCC1=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001601313910 1017837600 /nfs/dbraw/zinc/83/76/00/1017837600.db2.gz XQDCTRJRNHXYBU-SNVBAGLBSA-N -1 0 314.338 -0.279 20 0 DBADRM O=C(CN1CCC[C@@H](C(=O)[O-])C1=O)N[C@@H]1C[C@H]1[C@H]1CCCO1 ZINC001601312640 1017837441 /nfs/dbraw/zinc/83/74/41/1017837441.db2.gz PYYHSGKXXKXPGB-DDHJBXDOSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2CC[C@@H](CO)CC2)C1=O ZINC001601313606 1017837623 /nfs/dbraw/zinc/83/76/23/1017837623.db2.gz VHUWZZDBGHZYHD-TUAOUCFPSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C(CN1CCOCC1=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001601316648 1017838033 /nfs/dbraw/zinc/83/80/33/1017838033.db2.gz HLACJKUCMJKRFH-QWRGUYRKSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CCN3CCOC[C@@H]3C2)n1 ZINC001601316210 1017838356 /nfs/dbraw/zinc/83/83/56/1017838356.db2.gz AMZJSFUOSQDCEW-NSHDSACASA-N -1 0 320.349 -0.265 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CCN(CCO)CC2)n1 ZINC001601316146 1017838727 /nfs/dbraw/zinc/83/87/27/1017838727.db2.gz WDQHJCHTULFAQM-UHFFFAOYSA-N -1 0 308.338 -0.672 20 0 DBADRM O=C(CNS(=O)(=O)CC1(C(=O)[O-])CCC1)NCC1CC1 ZINC001601327018 1017839164 /nfs/dbraw/zinc/83/91/64/1017839164.db2.gz DXMGVCIBUSHJJA-UHFFFAOYSA-N -1 0 304.368 -0.313 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)CNC(=O)c2ccccn2)CCOC1 ZINC001601323707 1017839313 /nfs/dbraw/zinc/83/93/13/1017839313.db2.gz DZOMJKMXEBTCIR-CQSZACIVSA-N -1 0 307.306 -0.581 20 0 DBADRM O=C([O-])c1cnccc1C(=O)OCC(=O)NC(=O)NC1CC1 ZINC001601335402 1017840277 /nfs/dbraw/zinc/84/02/77/1017840277.db2.gz MQJVHJQXIAFMGX-UHFFFAOYSA-N -1 0 307.262 -0.075 20 0 DBADRM O=C(COC(=O)C1(C(=O)[O-])CC1)NCCCN1CCCC1=O ZINC001601331243 1017840854 /nfs/dbraw/zinc/84/08/54/1017840854.db2.gz ILNXSOYSBDFJFU-UHFFFAOYSA-N -1 0 312.322 -0.477 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)COC(=O)C1(CO)COC1 ZINC001601332006 1017840971 /nfs/dbraw/zinc/84/09/71/1017840971.db2.gz UCIPYAHYQDENME-UHFFFAOYSA-N -1 0 309.274 -0.125 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CSc1nnnn1C1CCCC1 ZINC001601351868 1017841408 /nfs/dbraw/zinc/84/14/08/1017841408.db2.gz DQKVZFTWRRUADD-QMMMGPOBSA-N -1 0 315.355 -0.558 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCNC(=O)Cc1ccc(=O)[nH]c1 ZINC001601356247 1017841532 /nfs/dbraw/zinc/84/15/32/1017841532.db2.gz VMWXRCNABMIIHB-GHMZBOCLSA-N -1 0 321.333 -0.327 20 0 DBADRM O=C([O-])c1cnc(COC(=O)CS(=O)(=O)C2CC2)cn1 ZINC001601346368 1017841548 /nfs/dbraw/zinc/84/15/48/1017841548.db2.gz YIMUNDYQVTXHKX-UHFFFAOYSA-N -1 0 300.292 -0.205 20 0 DBADRM O=C(CS(=O)(=O)C1CCCC1)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601345800 1017841950 /nfs/dbraw/zinc/84/19/50/1017841950.db2.gz CZULWMMGQGRBHW-BXKDBHETSA-N -1 0 319.379 -0.050 20 0 DBADRM O=C([O-])c1ccc(CC(=O)NN2CCS(=O)(=O)CC2)cn1 ZINC001601358797 1017842128 /nfs/dbraw/zinc/84/21/28/1017842128.db2.gz RVGBHSSBWRHYFF-UHFFFAOYSA-N -1 0 313.335 -0.916 20 0 DBADRM O=C(Cc1ccc(=O)[nH]c1)NCCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001601356248 1017842250 /nfs/dbraw/zinc/84/22/50/1017842250.db2.gz VMWXRCNABMIIHB-MNOVXSKESA-N -1 0 321.333 -0.327 20 0 DBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(C(=O)CCC2CC2)C1 ZINC001498641229 1017842354 /nfs/dbraw/zinc/84/23/54/1017842354.db2.gz SQEUNTXMLKNFJL-UHFFFAOYSA-N -1 0 323.353 -0.546 20 0 DBADRM O=C([O-])c1ccccc1CC(=O)NC[C@]1(CO)COCCN1 ZINC001601367520 1017842439 /nfs/dbraw/zinc/84/24/39/1017842439.db2.gz KPZWFEFSFXKQJR-HNNXBMFYSA-N -1 0 308.334 -0.606 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)Cc1ccc[nH]1 ZINC001601363077 1017842532 /nfs/dbraw/zinc/84/25/32/1017842532.db2.gz ONCHWVZNUVMZRL-RYUDHWBXSA-N -1 0 323.349 -0.785 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001601370791 1017842567 /nfs/dbraw/zinc/84/25/67/1017842567.db2.gz CYMIBFYFUXWKLG-VGDYDELISA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)Cc1c[nH]cn1 ZINC001601372073 1017842613 /nfs/dbraw/zinc/84/26/13/1017842613.db2.gz IVIKRXAHNBCWNX-JLVKAVFRSA-N -1 0 306.322 -0.539 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2ccco2)C1 ZINC001601370730 1017842625 /nfs/dbraw/zinc/84/26/25/1017842625.db2.gz ZNPSJSSIKPRCAG-MNOVXSKESA-N -1 0 322.317 -0.768 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)Cc1ccccc1O[C@@H]1CCOC1 ZINC001601370226 1017842674 /nfs/dbraw/zinc/84/26/74/1017842674.db2.gz VGNDJBNKKQJATL-NEPJUHHUSA-N -1 0 309.318 -0.042 20 0 DBADRM O=C([O-])c1cccc(CC(=O)NCCCN2C(=O)CNC2=O)c1 ZINC001601364037 1017842982 /nfs/dbraw/zinc/84/29/82/1017842982.db2.gz XUHKVVAMRPIMIW-UHFFFAOYSA-N -1 0 319.317 -0.015 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)Cc2ccoc2)nc1 ZINC001601371400 1017843012 /nfs/dbraw/zinc/84/30/12/1017843012.db2.gz KBHTURHDTJLRNA-LLVKDONJSA-N -1 0 320.305 -0.101 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001601372599 1017843058 /nfs/dbraw/zinc/84/30/58/1017843058.db2.gz ROWLEYPSELEJFM-QSFUFRPTSA-N -1 0 320.349 -0.316 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)Cc2ccon2)C1 ZINC001601371580 1017843121 /nfs/dbraw/zinc/84/31/21/1017843121.db2.gz TVYQSBCJJFGRGH-KLHWPWHYSA-N -1 0 321.333 -0.051 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)Cc1c[nH]cn1 ZINC001601372075 1017843130 /nfs/dbraw/zinc/84/31/30/1017843130.db2.gz IVIKRXAHNBCWNX-OVVPUXAQSA-N -1 0 306.322 -0.539 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)Cc1ccc[nH]1 ZINC001601363078 1017843326 /nfs/dbraw/zinc/84/33/26/1017843326.db2.gz ONCHWVZNUVMZRL-VXGBXAGGSA-N -1 0 323.349 -0.785 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)Cc2ccoc2)nc1 ZINC001601371202 1017843447 /nfs/dbraw/zinc/84/34/47/1017843447.db2.gz CVNGBGPXDPMHFA-NSHDSACASA-N -1 0 320.305 -0.101 20 0 DBADRM O=C([O-])c1nccc(NC/C=C/CNC(=O)Cc2cnoc2)n1 ZINC001601373472 1017844056 /nfs/dbraw/zinc/84/40/56/1017844056.db2.gz BNSCSWBBLWJQRY-OWOJBTEDSA-N -1 0 317.305 -0.088 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NCCCNc2ncccn2)c1 ZINC001601380027 1017844259 /nfs/dbraw/zinc/84/42/59/1017844259.db2.gz OGYLRXKUUHEFMV-UHFFFAOYSA-N -1 0 304.310 -0.010 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)Cc2cnn3ccccc23)nn1 ZINC001601373590 1017844459 /nfs/dbraw/zinc/84/44/59/1017844459.db2.gz DFGDNQNZGQYESU-UHFFFAOYSA-N -1 0 314.305 -0.017 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)nc1 ZINC001601375965 1017844570 /nfs/dbraw/zinc/84/45/70/1017844570.db2.gz HCKSDNNRSDJSLF-VIFPVBQESA-N -1 0 317.309 -0.770 20 0 DBADRM O=C([O-])c1cnn(CC(=O)OCCN2CCCS2(=O)=O)c1 ZINC001601380535 1017844760 /nfs/dbraw/zinc/84/47/60/1017844760.db2.gz LWMLGIOQAKWTMC-UHFFFAOYSA-N -1 0 317.323 -0.840 20 0 DBADRM O=C([O-])c1cn(CC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)nn1 ZINC001601382717 1017844799 /nfs/dbraw/zinc/84/47/99/1017844799.db2.gz CHRDKBAPUDETCT-MRVPVSSYSA-N -1 0 307.310 -0.897 20 0 DBADRM O=C([O-])[C@H](Cc1cncs1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001601384467 1017844852 /nfs/dbraw/zinc/84/48/52/1017844852.db2.gz QLQOPOPBUPCDCA-QMMMGPOBSA-N -1 0 324.318 -0.783 20 0 DBADRM O=C([O-])c1cnn(CC(=O)NCc2noc3c2COCC3)c1 ZINC001601380462 1017845469 /nfs/dbraw/zinc/84/54/69/1017845469.db2.gz XIMFKAXHIJIIHC-UHFFFAOYSA-N -1 0 306.278 -0.042 20 0 DBADRM O=C([O-])c1ccccc1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001601384856 1017845714 /nfs/dbraw/zinc/84/57/14/1017845714.db2.gz WEZKJUVOCFHSJF-UHFFFAOYSA-N -1 0 303.274 -0.037 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cccn1 ZINC001601389672 1017846052 /nfs/dbraw/zinc/84/60/52/1017846052.db2.gz XOKUMHHGEUSNQV-VLLVSFFDSA-N -1 0 318.333 -0.823 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)Cn2ccnc2)C1 ZINC001601389657 1017846186 /nfs/dbraw/zinc/84/61/86/1017846186.db2.gz XFPKAHBESBLKLW-LMLFDSFASA-N -1 0 306.322 -0.633 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NC[C@@H](O)c2c[nH]cn2)c1=O ZINC001601388029 1017846339 /nfs/dbraw/zinc/84/63/39/1017846339.db2.gz IQQPJJQQKWLNTF-SNVBAGLBSA-N -1 0 306.278 -0.881 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cccn1 ZINC001601389667 1017846482 /nfs/dbraw/zinc/84/64/82/1017846482.db2.gz XOKUMHHGEUSNQV-HKLXJQGRSA-N -1 0 318.333 -0.823 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)Cn3ccnc3)CC2)CCOC1 ZINC001601389799 1017846522 /nfs/dbraw/zinc/84/65/22/1017846522.db2.gz ZUKFYBKKANJIRQ-CQSZACIVSA-N -1 0 308.338 -0.729 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)Cn2cccn2)C1 ZINC001601389391 1017846575 /nfs/dbraw/zinc/84/65/75/1017846575.db2.gz NJEPXTSZZZXLBR-USZNOCQGSA-N -1 0 320.349 -0.385 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCCCc2c[nH][nH]c2=O)c1=O ZINC001601387917 1017846681 /nfs/dbraw/zinc/84/66/81/1017846681.db2.gz HWUCUNSWAHWQSV-VIFPVBQESA-N -1 0 320.305 -0.825 20 0 DBADRM O=C([O-])c1cccn(CC(=O)NCCOC2CCOCC2)c1=O ZINC001601387904 1017846741 /nfs/dbraw/zinc/84/67/41/1017846741.db2.gz HSNNRDCAMUDZPF-UHFFFAOYSA-N -1 0 324.333 -0.142 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)Cn2nc3ccccn3c2=O)CCOC1 ZINC001601390558 1017846862 /nfs/dbraw/zinc/84/68/62/1017846862.db2.gz SNLNXAAEWWBDJI-CQSZACIVSA-N -1 0 320.305 -0.897 20 0 DBADRM O=C(Cn1nc2n(c1=O)CCCC2)NC[C@H](CC1CC1)C(=O)[O-] ZINC001601390804 1017847259 /nfs/dbraw/zinc/84/72/59/1017847259.db2.gz CGMYPJGMISWMDW-NSHDSACASA-N -1 0 322.365 -0.002 20 0 DBADRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1nc2n(n1)CCCN2 ZINC001601407419 1017847513 /nfs/dbraw/zinc/84/75/13/1017847513.db2.gz VQKWBMCNSPELLC-RXMQYKEDSA-N -1 0 307.232 -0.513 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)c1ccc2nncn2c1 ZINC001601426640 1017847706 /nfs/dbraw/zinc/84/77/06/1017847706.db2.gz ZZFBHYFPHLIKEQ-JTQLQIEISA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001601425520 1017847719 /nfs/dbraw/zinc/84/77/19/1017847719.db2.gz CKSURPLWROFIOM-GHMZBOCLSA-N -1 0 303.322 -0.088 20 0 DBADRM O=C([O-])C1(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC(CO)C1 ZINC001601428091 1017847762 /nfs/dbraw/zinc/84/77/62/1017847762.db2.gz RTXRIUWSLLWDST-YZKWQOGNSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@H](Cc1cncs1)NC(=O)C1=CCS(=O)(=O)C1 ZINC001601423217 1017847848 /nfs/dbraw/zinc/84/78/48/1017847848.db2.gz ALQAQWNYDDTTRL-VIFPVBQESA-N -1 0 316.360 -0.390 20 0 DBADRM O=C([O-])c1cc(C(=O)N[C@@H](CO)CN2CCOCC2)ccn1 ZINC001601421022 1017847901 /nfs/dbraw/zinc/84/79/01/1017847901.db2.gz VFHWMRQTUCTHPR-LLVKDONJSA-N -1 0 309.322 -0.797 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1ccc2c(c1)OCO2 ZINC001601427483 1017848661 /nfs/dbraw/zinc/84/86/61/1017848661.db2.gz CBOPFPDDNIXVBM-SECBINFHSA-N -1 0 304.262 -0.110 20 0 DBADRM O=C([O-])C1(NC(=O)c2ccc(-c3nn[nH]n3)cn2)CCOCC1 ZINC001601431067 1017848794 /nfs/dbraw/zinc/84/87/94/1017848794.db2.gz OSHSERDMBULDCA-UHFFFAOYSA-N -1 0 318.293 -0.375 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1CC(F)C1 ZINC001601439811 1017849055 /nfs/dbraw/zinc/84/90/55/1017849055.db2.gz DRWFZBNPDGUYPA-QMMMGPOBSA-N -1 0 310.285 -0.287 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)C(=O)NC3CCC3)C2)nn1 ZINC001601437222 1017849102 /nfs/dbraw/zinc/84/91/02/1017849102.db2.gz JUUMEEDQJKZESZ-SECBINFHSA-N -1 0 307.310 -0.582 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NC2CCC3(CC2)OCCO3)C1 ZINC001601438047 1017849374 /nfs/dbraw/zinc/84/93/74/1017849374.db2.gz RPNIIYHVSYRVCD-UHFFFAOYSA-N -1 0 300.311 -0.487 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)C(=O)N[C@@H]3C=CCC3)C2)nn1 ZINC001601433808 1017849650 /nfs/dbraw/zinc/84/96/50/1017849650.db2.gz BZVBOATWNDTSNA-ZJUUUORDSA-N -1 0 319.321 -0.416 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)CNC(=O)c2ccsc2)C1 ZINC001601446317 1017850005 /nfs/dbraw/zinc/85/00/05/1017850005.db2.gz KPEULGATPZLJMN-VHSXEESVSA-N -1 0 312.347 -0.228 20 0 DBADRM O=C([O-])C1(S(=O)(=O)NC[C@]2(OCCO)CCOC2)CCC1 ZINC001601725722 1017870445 /nfs/dbraw/zinc/87/04/45/1017870445.db2.gz WFLBXHVTDNESSI-LLVKDONJSA-N -1 0 323.367 -0.919 20 0 DBADRM O=C(CNC(=O)Nc1ccccc1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001601448259 1017850147 /nfs/dbraw/zinc/85/01/47/1017850147.db2.gz CYPSEBQKGSFXJD-WJONMLJTSA-N -1 0 307.306 -0.098 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)CNC(=O)c2cccc(O)c2)C1 ZINC001601446450 1017850315 /nfs/dbraw/zinc/85/03/15/1017850315.db2.gz NHPLTTLHTDUJSG-PWSUYJOCSA-N -1 0 322.317 -0.584 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@@H]2CCN(c3ncccc3F)C2)C1 ZINC001601443423 1017850371 /nfs/dbraw/zinc/85/03/71/1017850371.db2.gz MCBWMPPVJDRWPB-SECBINFHSA-N -1 0 324.312 -0.360 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2ccc(F)nc2)C1 ZINC001601447498 1017850493 /nfs/dbraw/zinc/85/04/93/1017850493.db2.gz HEHLIMZCTAKCTH-VHSXEESVSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1COC[C@@H]1O ZINC001601441673 1017850576 /nfs/dbraw/zinc/85/05/76/1017850576.db2.gz URLCIQHOSDXBGP-ZOFUNIGCSA-N -1 0 310.310 -0.525 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2csnn2)CC1 ZINC001601441464 1017850631 /nfs/dbraw/zinc/85/06/31/1017850631.db2.gz SPHGSHXXYNOUEM-RKDXNWHRSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)N[C@@H]1CCc3nnnn3CC1)C2 ZINC001601447510 1017850739 /nfs/dbraw/zinc/85/07/39/1017850739.db2.gz HKRREPAFECAZAV-RBQUTUCGSA-N -1 0 320.353 -0.070 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)CNC(=O)c2cccc(O)c2)C1 ZINC001601446451 1017850960 /nfs/dbraw/zinc/85/09/60/1017850960.db2.gz NHPLTTLHTDUJSG-ZYHUDNBSSA-N -1 0 322.317 -0.584 20 0 DBADRM O=C([O-])c1nccc(NC[C@H](O)CNC(=O)C2=COCCC2)n1 ZINC001601466698 1017851246 /nfs/dbraw/zinc/85/12/46/1017851246.db2.gz OUUDYCOXXHXJJS-JTQLQIEISA-N -1 0 322.321 -0.820 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC[C@H](O)CN1CCCC1=O ZINC001601466393 1017851333 /nfs/dbraw/zinc/85/13/33/1017851333.db2.gz LRKVBIMTJDGOAV-SDDRHHMPSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2cnn3cc[nH]c23)C1 ZINC001601448694 1017851673 /nfs/dbraw/zinc/85/16/73/1017851673.db2.gz RRCTUVBFSSTNMH-RKDXNWHRSA-N -1 0 317.305 -0.676 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001601448431 1017851698 /nfs/dbraw/zinc/85/16/98/1017851698.db2.gz PRQNXGLLKQCVAZ-ZJUUUORDSA-N -1 0 305.290 -0.552 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1S(=O)(=O)CC[C@H]1CCCO1 ZINC001601757403 1017874030 /nfs/dbraw/zinc/87/40/30/1017874030.db2.gz WMHZBOSFZGFDNG-VWYCJHECSA-N -1 0 307.368 -0.205 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)N[C@@H]1COC[C@H]1O)Cc1ccccc1 ZINC001601466262 1017851930 /nfs/dbraw/zinc/85/19/30/1017851930.db2.gz ZXJOJUWTFOFITO-JHJVBQTASA-N -1 0 308.334 -0.011 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)C2=COCCC2)nc1 ZINC001601466301 1017852021 /nfs/dbraw/zinc/85/20/21/1017852021.db2.gz IVTCAOUHHXJSFB-LLVKDONJSA-N -1 0 322.321 -0.242 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)NC[C@@]1(O)CCOC1 ZINC001601475190 1017852174 /nfs/dbraw/zinc/85/21/74/1017852174.db2.gz HEPKJFUWVDWDCF-OTYXRUKQSA-N -1 0 324.337 -0.133 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)CCOC1 ZINC001601474251 1017852376 /nfs/dbraw/zinc/85/23/76/1017852376.db2.gz WUXVDBBNWYBRKK-XHDPSFHLSA-N -1 0 310.350 -0.005 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2ccncn2)CCC1 ZINC001601475437 1017852460 /nfs/dbraw/zinc/85/24/60/1017852460.db2.gz CSCHPOXAOXCVTE-VHSXEESVSA-N -1 0 318.333 -0.034 20 0 DBADRM O=C([O-])[C@@]1(CNC(=O)[C@@H]2COCCN2CC(F)F)CCOC1 ZINC001601473127 1017852682 /nfs/dbraw/zinc/85/26/82/1017852682.db2.gz ITMXDGWVYLOGON-TVQRCGJNSA-N -1 0 322.308 -0.440 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2cccc(=O)[nH]2)CC1 ZINC001601476043 1017852912 /nfs/dbraw/zinc/85/29/12/1017852912.db2.gz LMFDUVJIEOXLIU-DTWKUNHWSA-N -1 0 319.317 -0.114 20 0 DBADRM O=C([O-])[C@]1(CNC(=O)[C@H]2CCc3nnnn3CC2)CCOC1 ZINC001601471895 1017853010 /nfs/dbraw/zinc/85/30/10/1017853010.db2.gz AIUPQMGKGLXGOC-ZANVPECISA-N -1 0 309.326 -0.767 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)C(=O)NC[C@H]2CCCO2)C1 ZINC001601484004 1017853317 /nfs/dbraw/zinc/85/33/17/1017853317.db2.gz MCXXPSWSRAGJPE-VHSXEESVSA-N -1 0 316.379 -0.442 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC001601487842 1017853337 /nfs/dbraw/zinc/85/33/37/1017853337.db2.gz JSPXTEPMMFVOLD-VIFPVBQESA-N -1 0 308.290 -0.333 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2ccncc2)C1 ZINC001601487771 1017853423 /nfs/dbraw/zinc/85/34/23/1017853423.db2.gz ITTAHYJQDJKMPO-NWDGAFQWSA-N -1 0 303.318 -0.010 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC001601485781 1017853489 /nfs/dbraw/zinc/85/34/89/1017853489.db2.gz ZWOHUBIWFZCSJM-OPRDCNLKSA-N -1 0 304.368 -0.169 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)Cc3c[nH]cn3)C2)c1[O-] ZINC001498720173 1017853615 /nfs/dbraw/zinc/85/36/15/1017853615.db2.gz JXUGVZPCVOWSMK-UHFFFAOYSA-N -1 0 318.337 -0.422 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccncc2)C1 ZINC001601477826 1017853583 /nfs/dbraw/zinc/85/35/83/1017853583.db2.gz PMXUQVAHDSZKJU-GHMZBOCLSA-N -1 0 319.317 -0.895 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccncc2)C1 ZINC001601477829 1017853838 /nfs/dbraw/zinc/85/38/38/1017853838.db2.gz PMXUQVAHDSZKJU-WDEREUQCSA-N -1 0 319.317 -0.895 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)C(=O)NC[C@H]3CCCO3)[C@@H]2C1 ZINC001601484830 1017853913 /nfs/dbraw/zinc/85/39/13/1017853913.db2.gz SZDQSDIJEMDEGO-ROHXPCBUSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@@H]1CSCCS1 ZINC001601487787 1017854045 /nfs/dbraw/zinc/85/40/45/1017854045.db2.gz IJBQOBFCQXNPEW-RQJHMYQMSA-N -1 0 310.372 -0.510 20 0 DBADRM O=C([O-])c1nccc(NCC=CCNC(=O)c2ccn[nH]2)n1 ZINC001601491096 1017854270 /nfs/dbraw/zinc/85/42/70/1017854270.db2.gz JAURDMIJTUEEGU-UPHRSURJSA-N -1 0 302.294 -0.282 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)C2=CCOCC2)C1 ZINC001601488508 1017854583 /nfs/dbraw/zinc/85/45/83/1017854583.db2.gz RDHZNIMPUOGUBJ-VXGBXAGGSA-N -1 0 308.334 -0.372 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(CCNC(=O)c2cn[nH]n2)CC1 ZINC001601491237 1017854768 /nfs/dbraw/zinc/85/47/68/1017854768.db2.gz PZWOBGHPSLYZFZ-DTWKUNHWSA-N -1 0 321.337 -0.458 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001601487938 1017854820 /nfs/dbraw/zinc/85/48/20/1017854820.db2.gz KQAONVMJDWUKFU-MNOVXSKESA-N -1 0 319.317 -0.304 20 0 DBADRM O=C([O-])c1nccc(NC/C=C/CNC(=O)c2ccnnc2)n1 ZINC001601493518 1017854876 /nfs/dbraw/zinc/85/48/76/1017854876.db2.gz XVKDLKLTEIPMKF-OWOJBTEDSA-N -1 0 314.305 -0.215 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCCCO2)CCO1 ZINC001601494174 1017855441 /nfs/dbraw/zinc/85/54/41/1017855441.db2.gz RYZIHHOETBKECX-MNOVXSKESA-N -1 0 314.338 -0.626 20 0 DBADRM O=C([O-])c1nccc(NC/C=C\CNC(=O)C2=COCCO2)n1 ZINC001601490505 1017855150 /nfs/dbraw/zinc/85/51/50/1017855150.db2.gz CKDBOOKFNMNJKJ-UPHRSURJSA-N -1 0 320.305 -0.431 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCCNC(=O)c1cc2n(n1)CCO2 ZINC001601498684 1017855484 /nfs/dbraw/zinc/85/54/84/1017855484.db2.gz GQHFULGGIGCSHE-BDAKNGLRSA-N -1 0 322.321 -0.768 20 0 DBADRM O=C([O-])c1ccc(NC(=O)NCCCN2C(=O)CNC2=O)nc1 ZINC001601498065 1017855701 /nfs/dbraw/zinc/85/57/01/1017855701.db2.gz OWNZCPFOCJGLFE-UHFFFAOYSA-N -1 0 321.293 -0.157 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCCO[C@@H]2CCOC2)C1 ZINC001601499378 1017855793 /nfs/dbraw/zinc/85/57/93/1017855793.db2.gz GSAIYUPWGDXQKV-WDEREUQCSA-N -1 0 314.338 -0.769 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCCCN1CCCS1(=O)=O ZINC001601498600 1017855828 /nfs/dbraw/zinc/85/58/28/1017855828.db2.gz BLOSHEDMIYYJMK-VHSXEESVSA-N -1 0 304.368 -0.361 20 0 DBADRM O=C([O-])c1cc(C(=O)NCCCn2ccc(=O)[nH]c2=O)ccn1 ZINC001601500628 1017856136 /nfs/dbraw/zinc/85/61/36/1017856136.db2.gz GVJBEEGYTCQCOI-UHFFFAOYSA-N -1 0 318.289 -0.138 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)C1=CCCC1 ZINC001601501610 1017856246 /nfs/dbraw/zinc/85/62/46/1017856246.db2.gz FACRUVBMZTZUQO-RYUDHWBXSA-N -1 0 310.350 -0.246 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)NCCO[C@H]2CC2(F)F)nn1 ZINC001601504454 1017856627 /nfs/dbraw/zinc/85/66/27/1017856627.db2.gz MHHXZWAENRXMCT-QMMMGPOBSA-N -1 0 319.268 -0.300 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1ccnc2[nH]cnc21 ZINC001601503963 1017856667 /nfs/dbraw/zinc/85/66/67/1017856667.db2.gz OLFXLDHSTCIUKI-RKDXNWHRSA-N -1 0 317.305 -0.475 20 0 DBADRM O=C([O-])C12CC(C(=O)NCCNC(=O)c3cnccn3)(C1)C2 ZINC001601502544 1017856737 /nfs/dbraw/zinc/85/67/37/1017856737.db2.gz ZDYMWPXYQMRIKY-UHFFFAOYSA-N -1 0 304.306 -0.423 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1cnn(C(F)F)c1 ZINC001601504795 1017856753 /nfs/dbraw/zinc/85/67/53/1017856753.db2.gz ZYCGEELJDYLRAL-JGVFFNPUSA-N -1 0 316.264 -0.155 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNC(=O)c1cnn2cccnc12 ZINC001601503879 1017856818 /nfs/dbraw/zinc/85/68/18/1017856818.db2.gz NXRROEVBFTYCOP-BDAKNGLRSA-N -1 0 317.305 -0.704 20 0 DBADRM O=C([O-])C1CC2(C1)C[C@@H](NC(=O)NCCO)CCS2(=O)=O ZINC001601504269 1017856886 /nfs/dbraw/zinc/85/68/86/1017856886.db2.gz ITTQTVZAPWTGIB-XEVUQIKYSA-N -1 0 320.367 -0.912 20 0 DBADRM O=C([O-])c1sccc1NC(=O)C(=O)NCCOCCCO ZINC001601505517 1017857237 /nfs/dbraw/zinc/85/72/37/1017857237.db2.gz LSTQZRGHBKYPTO-UHFFFAOYSA-N -1 0 316.335 -0.100 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1cn(CC2CC2)nn1 ZINC001601503050 1017857348 /nfs/dbraw/zinc/85/73/48/1017857348.db2.gz FAWBURZDYXBAIV-NXEZZACHSA-N -1 0 321.337 -0.745 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC001601508726 1017857659 /nfs/dbraw/zinc/85/76/59/1017857659.db2.gz SSNKNFRHRLNCSF-QWRGUYRKSA-N -1 0 310.306 -0.185 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)nn1 ZINC001601517318 1017858199 /nfs/dbraw/zinc/85/81/99/1017858199.db2.gz FDPSSYBTUJDBEL-WPCZNGEBSA-N -1 0 321.337 -0.301 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)NCC[S@](=O)CC(F)(F)F)C1 ZINC001601507590 1017858256 /nfs/dbraw/zinc/85/82/56/1017858256.db2.gz RQQLTPMKQARITK-FQEVSTJZSA-N -1 0 318.273 -0.862 20 0 DBADRM O=C([O-])[C@@H](O)CCNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC001601510082 1017858350 /nfs/dbraw/zinc/85/83/50/1017858350.db2.gz VPEHCTUZQRXWKO-RQJHMYQMSA-N -1 0 312.244 -0.509 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCc2ccc(O)cc2)C1 ZINC001601512116 1017858552 /nfs/dbraw/zinc/85/85/52/1017858552.db2.gz GBMDWKUBYLEBRG-NSHDSACASA-N -1 0 306.318 -0.016 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCOC2(CCCC2)C1 ZINC001601520809 1017858671 /nfs/dbraw/zinc/85/86/71/1017858671.db2.gz VCOZDAJFSORXNP-VIFPVBQESA-N -1 0 302.302 -0.303 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC001601519754 1017859027 /nfs/dbraw/zinc/85/90/27/1017859027.db2.gz DJIOPOUJLHNTOU-HBNTYKKESA-N -1 0 316.329 -0.011 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC001601520842 1017859047 /nfs/dbraw/zinc/85/90/47/1017859047.db2.gz VPLMJTBEGOEAPW-ONGXEEELSA-N -1 0 309.297 -0.031 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1nn2c(c1Br)CCC2 ZINC001601522866 1017859164 /nfs/dbraw/zinc/85/91/64/1017859164.db2.gz KYKMOFCIOBIBSR-LURJTMIESA-N -1 0 318.127 -0.233 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C(=O)Nc2ccc(F)cc2)nn1 ZINC001601518933 1017859307 /nfs/dbraw/zinc/85/93/07/1017859307.db2.gz ZJJGYPKEJQVRHB-UHFFFAOYSA-N -1 0 321.268 -0.130 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001601523302 1017859825 /nfs/dbraw/zinc/85/98/25/1017859825.db2.gz CCFKETYNEAIKNW-UWVGGRQHSA-N -1 0 313.331 -0.491 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC001601526898 1017859844 /nfs/dbraw/zinc/85/98/44/1017859844.db2.gz JJVXQCLEBGKNQY-PRJMDXOYSA-N -1 0 324.255 -0.387 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CO)C[C@@H]1CCCO1 ZINC001601524359 1017859899 /nfs/dbraw/zinc/85/98/99/1017859899.db2.gz XEHTYKSPWUQFGJ-WISYIIOYSA-N -1 0 316.354 -0.295 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001601524049 1017859972 /nfs/dbraw/zinc/85/99/72/1017859972.db2.gz OIWZJAIGSXQDEM-FXPVBKGRSA-N -1 0 309.326 -0.769 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC001601524018 1017860128 /nfs/dbraw/zinc/86/01/28/1017860128.db2.gz MWYJVBUDIKIIPK-MNOVXSKESA-N -1 0 324.358 -0.237 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](CNC(=O)c2cnns2)C1 ZINC001601526427 1017860226 /nfs/dbraw/zinc/86/02/26/1017860226.db2.gz AHFGRWCLQSGTAH-BGZDPUMWSA-N -1 0 324.362 -0.117 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1cc2nccc(C(F)(F)F)n2n1 ZINC001601523606 1017860258 /nfs/dbraw/zinc/86/02/58/1017860258.db2.gz JNQTWRDFRVRJJL-LURJTMIESA-N -1 0 318.211 -0.077 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC001601523708 1017860419 /nfs/dbraw/zinc/86/04/19/1017860419.db2.gz MPNUWYXOXYBIRL-VIFPVBQESA-N -1 0 311.685 -0.509 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001601526897 1017860652 /nfs/dbraw/zinc/86/06/52/1017860652.db2.gz JJVXQCLEBGKNQY-BWZBUEFSSA-N -1 0 324.255 -0.387 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccsc1 ZINC001601547094 1017861136 /nfs/dbraw/zinc/86/11/36/1017861136.db2.gz YBTUMQAPNABURU-NXEZZACHSA-N -1 0 312.347 -0.030 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCc2cn3ccsc3n2)C1 ZINC001601546064 1017861204 /nfs/dbraw/zinc/86/12/04/1017861204.db2.gz CFVUFIUSFZINHF-QMMMGPOBSA-N -1 0 322.346 -0.055 20 0 DBADRM O=C([O-])c1ccccc1CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001601544011 1017861391 /nfs/dbraw/zinc/86/13/91/1017861391.db2.gz IPJYGKJKYYMQFZ-JHJVBQTASA-N -1 0 307.302 -0.586 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)C(=O)NCc1ccc(F)cc1 ZINC001601538194 1017861623 /nfs/dbraw/zinc/86/16/23/1017861623.db2.gz PXKKWFFLPJWXER-NWDGAFQWSA-N -1 0 324.308 -0.122 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)C2=COCCO2)C1 ZINC001601573186 1017862170 /nfs/dbraw/zinc/86/21/70/1017862170.db2.gz CTMVGOXKHUFFNV-UTINFBMNSA-N -1 0 310.306 -0.641 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)c1cc2n(n1)CCC[C@H]2O ZINC001601568180 1017862219 /nfs/dbraw/zinc/86/22/19/1017862219.db2.gz JSHLBPSZKUZDNR-ZYHUDNBSSA-N -1 0 319.321 -0.141 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2cnsn2)C1 ZINC001601573628 1017862358 /nfs/dbraw/zinc/86/23/58/1017862358.db2.gz IFYFHBDDIJGQSD-BZNPZCIMSA-N -1 0 324.362 -0.117 20 0 DBADRM O=C([O-])c1cccc2c1CCN(C(=O)C(=O)N[C@H]1CNOC1)C2 ZINC001601571435 1017862514 /nfs/dbraw/zinc/86/25/14/1017862514.db2.gz QCOGJDOBHBBWLE-JTQLQIEISA-N -1 0 319.317 -0.711 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1cnc2n(c1=O)CCS2 ZINC001601570415 1017862804 /nfs/dbraw/zinc/86/28/04/1017862804.db2.gz VQGNBRNSFBNMHD-JGVFFNPUSA-N -1 0 311.319 -0.679 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001601570980 1017862950 /nfs/dbraw/zinc/86/29/50/1017862950.db2.gz TWBVSIMYVHZFIA-ZRUFSTJUSA-N -1 0 306.322 -0.604 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)N1CCC[C@@H]3COC[C@@H]31)C2 ZINC001601574413 1017863326 /nfs/dbraw/zinc/86/33/26/1017863326.db2.gz VESJPCWYOLLGQI-ZOUHWKOYSA-N -1 0 322.361 -0.007 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)N1CCC3(C1)OCCO3)C2 ZINC001601574725 1017863347 /nfs/dbraw/zinc/86/33/47/1017863347.db2.gz ZUYPAYCJXPBAPV-BFVZDQMLSA-N -1 0 324.333 -0.669 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccnnc2)C1 ZINC001601574448 1017863365 /nfs/dbraw/zinc/86/33/65/1017863365.db2.gz VRGBKEQLZJKTSH-LMLFDSFASA-N -1 0 304.306 -0.426 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001601579088 1017863505 /nfs/dbraw/zinc/86/35/05/1017863505.db2.gz UEKUQGINUKREFZ-WZDDDSQMSA-N -1 0 316.313 -0.009 20 0 DBADRM O=C([O-])c1ccc(F)c(NC(=O)NC(CO)(CO)CO)c1 ZINC001601585884 1017863601 /nfs/dbraw/zinc/86/36/01/1017863601.db2.gz KVGFIPBOWZEWNV-UHFFFAOYSA-N -1 0 302.258 -0.639 20 0 DBADRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)NN2CCCNC2=O)c1 ZINC001601585383 1017863646 /nfs/dbraw/zinc/86/36/46/1017863646.db2.gz HPISSFFLXWLRFH-UHFFFAOYSA-N -1 0 324.268 -0.091 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)[C@@H]1COc2ccc(O)cc2O1 ZINC001601577875 1017864270 /nfs/dbraw/zinc/86/42/70/1017864270.db2.gz GSFBJJJJELUJFP-YLGCSUCGSA-N -1 0 309.274 -0.374 20 0 DBADRM O=C([O-])c1cc(NC(=O)C(=O)N(CCO)CCO)ccc1F ZINC001601604718 1017864296 /nfs/dbraw/zinc/86/42/96/1017864296.db2.gz IECHZZJQAXPMFI-UHFFFAOYSA-N -1 0 314.269 -0.724 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2F)C1 ZINC001601577670 1017864423 /nfs/dbraw/zinc/86/44/23/1017864423.db2.gz QESBLGLMURINFV-JBDRJPRFSA-N -1 0 324.312 -0.106 20 0 DBADRM O=C([O-])C1(NC(=O)C(=O)Nc2ccc3c(c2)CCNC3=O)CC1 ZINC001601611529 1017864590 /nfs/dbraw/zinc/86/45/90/1017864590.db2.gz KZHVHSDJGDCMKD-UHFFFAOYSA-N -1 0 317.301 -0.356 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)Nc2ccc(N3CCNC3=O)cc2)C1 ZINC001601607651 1017864639 /nfs/dbraw/zinc/86/46/39/1017864639.db2.gz RYBXWCBCDMFKNJ-UHFFFAOYSA-N -1 0 320.305 -0.121 20 0 DBADRM O=C([O-])[C@@H](CCF)NC(=O)C1(n2cnnn2)CCOCC1 ZINC001601645703 1017864763 /nfs/dbraw/zinc/86/47/63/1017864763.db2.gz UYGIBFCZQBLIKW-MRVPVSSYSA-N -1 0 301.278 -0.892 20 0 DBADRM O=C([O-])[C@@H](CNS(=O)(=O)C1COC1)Cc1ccc(O)cc1 ZINC001601653456 1017864844 /nfs/dbraw/zinc/86/48/44/1017864844.db2.gz OCCSTIAENZMHTQ-SNVBAGLBSA-N -1 0 315.347 -0.046 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NS(=O)(=O)c1cccnc1 ZINC001601643719 1017864887 /nfs/dbraw/zinc/86/48/87/1017864887.db2.gz FBOZSNQBILYCAN-VIFPVBQESA-N -1 0 302.308 -0.424 20 0 DBADRM O=C([O-])[C@@H](CF)NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001601651435 1017864905 /nfs/dbraw/zinc/86/49/05/1017864905.db2.gz VKSFJTNKNPJEMK-VXNVDRBHSA-N -1 0 317.298 -0.745 20 0 DBADRM O=C([O-])[C@H](CCC1OCCO1)NS(=O)(=O)N1CCCC1 ZINC001601645456 1017864938 /nfs/dbraw/zinc/86/49/38/1017864938.db2.gz RLTOYMRFTRERPW-VIFPVBQESA-N -1 0 308.356 -0.477 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1cnn(C2CCCC2)c1 ZINC001601656284 1017865392 /nfs/dbraw/zinc/86/53/92/1017865392.db2.gz CGAFVLCBIHXUBK-JTQLQIEISA-N -1 0 303.340 -0.278 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001601656373 1017865542 /nfs/dbraw/zinc/86/55/42/1017865542.db2.gz GTDPIOZDCNHXJU-STQMWFEESA-N -1 0 308.334 -0.551 20 0 DBADRM O=C([O-])[C@H](NS(=O)(=O)CCCN1CCOCC1)C1CC1 ZINC001601677998 1017866140 /nfs/dbraw/zinc/86/61/40/1017866140.db2.gz YDDBRZCHHNTHSF-LLVKDONJSA-N -1 0 306.384 -0.509 20 0 DBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001601657260 1017866351 /nfs/dbraw/zinc/86/63/51/1017866351.db2.gz WPVAZGRZHRKPMR-RXMQYKEDSA-N -1 0 321.698 -0.400 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)Cc2nc3ncccn3n2)CC1 ZINC001601681184 1017866494 /nfs/dbraw/zinc/86/64/94/1017866494.db2.gz OKVMMYWMXKHUOY-GFCCVEGCSA-N -1 0 319.321 -0.649 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)/C=C/CN2CCOCC2)CC1 ZINC001601683061 1017867233 /nfs/dbraw/zinc/86/72/33/1017867233.db2.gz MXWPPBDIDRHWFX-VSZDKKFSSA-N -1 0 312.366 -0.441 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)CCN2CCOC2=O)CC1 ZINC001601683154 1017867277 /nfs/dbraw/zinc/86/72/77/1017867277.db2.gz OHORUJNAVOVQPD-LLVKDONJSA-N -1 0 300.311 -0.487 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(S(=O)(=O)C[C@H]2CCOC2)CC1 ZINC001601683959 1017867501 /nfs/dbraw/zinc/86/75/01/1017867501.db2.gz HPBYEBNXMRHTHW-ONGXEEELSA-N -1 0 307.368 -0.490 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)COC[C@@H]2CCCO2)CC1 ZINC001601682083 1017867742 /nfs/dbraw/zinc/86/77/42/1017867742.db2.gz HFJIXTAQAPESPB-WCQYABFASA-N -1 0 301.339 -0.134 20 0 DBADRM O=C([O-])C1([C@]2(O)CCCN(S(=O)(=O)C3COC3)C2)CCC1 ZINC001601704768 1017867750 /nfs/dbraw/zinc/86/77/50/1017867750.db2.gz BEMCVGDWAWUZDW-ZDUSSCGKSA-N -1 0 319.379 -0.203 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C2=C3CCCN=C3NN2)CC1 ZINC001601683309 1017868043 /nfs/dbraw/zinc/86/80/43/1017868043.db2.gz PHKVKMPVCWIQBZ-LLVKDONJSA-N -1 0 308.338 -0.775 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(S(=O)(=O)CC3CC3)CC2)CCOC1 ZINC001601719930 1017868318 /nfs/dbraw/zinc/86/83/18/1017868318.db2.gz PHFFLLWBLSLLPW-CYBMUJFWSA-N -1 0 318.395 -0.413 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCC2(CO)CCOCC2)CC1 ZINC001601714193 1017868388 /nfs/dbraw/zinc/86/83/88/1017868388.db2.gz CMPXCROLDYOLRC-UHFFFAOYSA-N -1 0 307.368 -0.440 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N[C@@H]2COC[C@@H]2O)CCCCC1 ZINC001601715739 1017868499 /nfs/dbraw/zinc/86/84/99/1017868499.db2.gz CCKCUWBZEOCOTJ-ZJUUUORDSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NCC2(N3CCOCC3)CC2)CC1 ZINC001601715133 1017868932 /nfs/dbraw/zinc/86/89/32/1017868932.db2.gz KYHMEFLNQVGWFR-UHFFFAOYSA-N -1 0 318.395 -0.365 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)CCC1 ZINC001601715551 1017869111 /nfs/dbraw/zinc/86/91/11/1017869111.db2.gz WUMHBAJXYZSFHN-MXWKQRLJSA-N -1 0 319.379 -0.035 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)[C@@H]2COC[C@H]2O)CCCCCC1 ZINC001601722117 1017869738 /nfs/dbraw/zinc/86/97/38/1017869738.db2.gz WEXNOBACVUEGJH-NXEZZACHSA-N -1 0 307.368 -0.157 20 0 DBADRM O=C([O-])C1(NS(=O)(=O)[C@@H]2COC[C@H]2O)CCSCC1 ZINC001601722035 1017869986 /nfs/dbraw/zinc/86/99/86/1017869986.db2.gz LIZRNRUCSLQOQQ-HTQZYQBOSA-N -1 0 311.381 -0.984 20 0 DBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC001601723884 1017870168 /nfs/dbraw/zinc/87/01/68/1017870168.db2.gz WCWLGILOQQWBQH-MDZLAQPJSA-N -1 0 319.379 -0.205 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2C[C@H](CCO)[C@H](CO)C2)CCC1 ZINC001601725658 1017870439 /nfs/dbraw/zinc/87/04/39/1017870439.db2.gz ZNLZKTCESPCFHQ-UWVGGRQHSA-N -1 0 307.368 -0.754 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)/C=C\CN3CCOCC3)C2)C1 ZINC001601738694 1017870795 /nfs/dbraw/zinc/87/07/95/1017870795.db2.gz HMKWPYGSRCDILN-OYADATRGSA-N -1 0 323.349 -0.293 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CC[C@]3(CCOC3)C2)C1 ZINC001601737048 1017870882 /nfs/dbraw/zinc/87/08/82/1017870882.db2.gz NEKBSDJGSONTGT-NHYWBVRUSA-N -1 0 308.334 -0.085 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)C2)C1 ZINC001601738787 1017870965 /nfs/dbraw/zinc/87/09/65/1017870965.db2.gz JGYOACPRGMNVKV-NVZXWFNYSA-N -1 0 321.333 -0.267 20 0 DBADRM O=C([O-])C1=NO[C@]2(CCN(C(=O)/C=C/CN3CCOCC3)C2)C1 ZINC001601738692 1017871332 /nfs/dbraw/zinc/87/13/32/1017871332.db2.gz HMKWPYGSRCDILN-BGTMTDRBSA-N -1 0 323.349 -0.293 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)C(=O)N[C@H]3CC34CCC4)C2)C1 ZINC001601740701 1017871803 /nfs/dbraw/zinc/87/18/03/1017871803.db2.gz WTJPQIXXVUZVNS-BONVTDFDSA-N -1 0 321.333 -0.123 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1S(=O)(=O)CC[C@H]1CCOC1 ZINC001601749622 1017871968 /nfs/dbraw/zinc/87/19/68/1017871968.db2.gz BSBPHKBWPNQWRZ-VWYCJHECSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1S(=O)(=O)CC[C@H]1CCOC1 ZINC001601749621 1017872222 /nfs/dbraw/zinc/87/22/22/1017872222.db2.gz BSBPHKBWPNQWRZ-MXWKQRLJSA-N -1 0 307.368 -0.347 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)Cn1ncc2cccnc21 ZINC001601751113 1017872264 /nfs/dbraw/zinc/87/22/64/1017872264.db2.gz KQAXUNPYZQSNDE-JQWIXIFHSA-N -1 0 304.306 -0.132 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1cccc(-n2cnnn2)c1 ZINC001601758570 1017872997 /nfs/dbraw/zinc/87/29/97/1017872997.db2.gz RFESUKROLPTGLJ-RYUDHWBXSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC001601757089 1017873060 /nfs/dbraw/zinc/87/30/60/1017873060.db2.gz ZSAQOPNPVPHXNV-NHCYSSNCSA-N -1 0 321.333 -0.362 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc(-n2cncn2)nc1 ZINC001601757326 1017873170 /nfs/dbraw/zinc/87/31/70/1017873170.db2.gz GLWJHXVTNPRSHR-JQWIXIFHSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1cnc2sccn2c1=O ZINC001601758778 1017873568 /nfs/dbraw/zinc/87/35/68/1017873568.db2.gz TZPYCXZWGQEXCQ-IUCAKERBSA-N -1 0 323.330 -0.194 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(CN2CCN(c3cccnn3)CC2)C1 ZINC001601759314 1017873581 /nfs/dbraw/zinc/87/35/81/1017873581.db2.gz MVBISFXWBRKRDL-LLVKDONJSA-N -1 0 305.338 -0.511 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1Cc1nnn(CC(F)(F)F)n1 ZINC001601754312 1017873624 /nfs/dbraw/zinc/87/36/24/1017873624.db2.gz NPLNYVXJTXXDNG-SVRRBLITSA-N -1 0 309.248 -0.355 20 0 DBADRM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1ccc(-n2cnnn2)cn1 ZINC001601758819 1017873644 /nfs/dbraw/zinc/87/36/44/1017873644.db2.gz UTMQKVXGGDBWMB-WDEREUQCSA-N -1 0 318.293 -0.893 20 0 DBADRM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC001601757049 1017873924 /nfs/dbraw/zinc/87/39/24/1017873924.db2.gz FRFXNEXKGXNYAD-VXGBXAGGSA-N -1 0 317.305 -0.288 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC001601764727 1017874527 /nfs/dbraw/zinc/87/45/27/1017874527.db2.gz ISCSWQNHNHUKCA-XQHKEYJVSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC3(C2)CCCC3)C1 ZINC001601760768 1017874587 /nfs/dbraw/zinc/87/45/87/1017874587.db2.gz SVYSJZPPUKSAIW-MNOVXSKESA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC001601764730 1017874656 /nfs/dbraw/zinc/87/46/56/1017874656.db2.gz ISCSWQNHNHUKCA-YVECIDJPSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 ZINC001601764962 1017875083 /nfs/dbraw/zinc/87/50/83/1017875083.db2.gz JBNFBIDTEPRLFP-RSAASHCRSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC001601764722 1017875171 /nfs/dbraw/zinc/87/51/71/1017875171.db2.gz ISCSWQNHNHUKCA-QNWHQSFQSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001601765643 1017875381 /nfs/dbraw/zinc/87/53/81/1017875381.db2.gz PTOYABOHKKYVMJ-ZJUUUORDSA-N -1 0 320.305 -0.173 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCc2cnn(CCF)c2)C1 ZINC001601766214 1017875746 /nfs/dbraw/zinc/87/57/46/1017875746.db2.gz VSYQUHYZRQFTKB-MNOVXSKESA-N -1 0 314.317 -0.170 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(Cc2cn(Cc3cccnc3)nn2)C1 ZINC001601768625 1017875841 /nfs/dbraw/zinc/87/58/41/1017875841.db2.gz JYQMPDXWHNYOGQ-OCCSQVGLSA-N -1 0 317.349 -0.011 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C2CN(CC(F)(F)F)C2)C1 ZINC001601765713 1017876111 /nfs/dbraw/zinc/87/61/11/1017876111.db2.gz MNFXBOLBUPMTDN-IONNQARKSA-N -1 0 310.272 -0.226 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001601765343 1017876285 /nfs/dbraw/zinc/87/62/85/1017876285.db2.gz KKLSHBKMXYUFPT-WCBMZHEXSA-N -1 0 317.363 -0.895 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(c2nc(Cl)nc3[nH]c(=O)[nH]c32)C1 ZINC001601766593 1017876361 /nfs/dbraw/zinc/87/63/61/1017876361.db2.gz AOLMSXNOPZCUBC-CRCLSJGQSA-N -1 0 313.701 -0.016 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001601769348 1017877139 /nfs/dbraw/zinc/87/71/39/1017877139.db2.gz ZCGMEEDEWOEZAS-OPRDCNLKSA-N -1 0 322.308 -0.754 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC001601772503 1017877290 /nfs/dbraw/zinc/87/72/90/1017877290.db2.gz KONYBYIRPUPEMH-CYDGBPFRSA-N -1 0 312.366 -0.324 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]c1 ZINC001601776133 1017877881 /nfs/dbraw/zinc/87/78/81/1017877881.db2.gz SUHDKXDIQMSYLH-KXNHARMFSA-N -1 0 318.333 -0.054 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(C(=O)CC2(O)CCC2)CC1 ZINC001601776660 1017878029 /nfs/dbraw/zinc/87/80/29/1017878029.db2.gz DAPUDDWBUIHTPH-MNOVXSKESA-N -1 0 310.350 -0.317 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2cnns2)CC1 ZINC001601776530 1017878285 /nfs/dbraw/zinc/87/82/85/1017878285.db2.gz ALZDCMIYTTXDFC-RKDXNWHRSA-N -1 0 324.362 -0.020 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)C2=CCCC2)C1 ZINC001601778395 1017878903 /nfs/dbraw/zinc/87/89/03/1017878903.db2.gz KQUHUWXZPFTNIR-VXGBXAGGSA-N -1 0 322.361 -0.103 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC3(O)CCC3)C[C@H]21 ZINC001601778365 1017878986 /nfs/dbraw/zinc/87/89/86/1017878986.db2.gz CJXHXSBBPIKNMD-HKLXJQGRSA-N -1 0 322.361 -0.415 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cccnn2)CC1 ZINC001601777207 1017879089 /nfs/dbraw/zinc/87/90/89/1017879089.db2.gz GKRQLYZWBTUGGK-NXEZZACHSA-N -1 0 304.306 -0.518 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001601777502 1017879135 /nfs/dbraw/zinc/87/91/35/1017879135.db2.gz HUJREIPRGWVSNM-VXGBXAGGSA-N -1 0 320.349 -0.266 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001601777500 1017879618 /nfs/dbraw/zinc/87/96/18/1017879618.db2.gz HUJREIPRGWVSNM-NWDGAFQWSA-N -1 0 320.349 -0.266 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC3(O)CCC3)C[C@H]21 ZINC001601778367 1017879716 /nfs/dbraw/zinc/87/97/16/1017879716.db2.gz CJXHXSBBPIKNMD-OQEOFVATSA-N -1 0 322.361 -0.415 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cn[nH]c3)C[C@H]21 ZINC001601777811 1017879809 /nfs/dbraw/zinc/87/98/09/1017879809.db2.gz ALSSYFCOTGOXPU-APLZJWDSSA-N -1 0 304.306 -0.683 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001601779638 1017880358 /nfs/dbraw/zinc/88/03/58/1017880358.db2.gz PRTLLNREZJWIBH-RKDXNWHRSA-N -1 0 320.305 -0.813 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(OC2CN(CCO)C2)CC1 ZINC001601779640 1017880586 /nfs/dbraw/zinc/88/05/86/1017880586.db2.gz PSAPNPRKWZKUON-OLZOCXBDSA-N -1 0 312.366 -0.609 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC/C=C\CNc1nccn2nnnc12 ZINC001601779974 1017880884 /nfs/dbraw/zinc/88/08/84/1017880884.db2.gz KHZUDPMCRZUWPG-YBVDZREESA-N -1 0 317.309 -0.676 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2ccnnc2)C1 ZINC001601781269 1017881366 /nfs/dbraw/zinc/88/13/66/1017881366.db2.gz OJYRUEVRSWLGRY-QWRGUYRKSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CN(CCOCC(F)F)C1 ZINC001601780210 1017881509 /nfs/dbraw/zinc/88/15/09/1017881509.db2.gz OHNCZXQQWFKNDV-RKDXNWHRSA-N -1 0 322.308 -0.848 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2ccnnc2)C1 ZINC001601781271 1017881762 /nfs/dbraw/zinc/88/17/62/1017881762.db2.gz OJYRUEVRSWLGRY-WDEREUQCSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)C2CCCC2)C1 ZINC001601781541 1017882019 /nfs/dbraw/zinc/88/20/19/1017882019.db2.gz SPYZJQBVWOHFLH-GHMZBOCLSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)Cc2ccon2)CC1 ZINC001601782781 1017882668 /nfs/dbraw/zinc/88/26/68/1017882668.db2.gz YNBDQGKDLSDNEZ-RYUDHWBXSA-N -1 0 321.333 -0.001 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2nnnn2C2CC2)C1 ZINC001601782408 1017882764 /nfs/dbraw/zinc/88/27/64/1017882764.db2.gz QBERIPDBIHWOPI-MPKXCIJOSA-N -1 0 320.353 -0.535 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cccnn3)C[C@H]21 ZINC001601783841 1017882842 /nfs/dbraw/zinc/88/28/42/1017882842.db2.gz TZFYIOVTCBXXSF-OFKSJOQMSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)Cc2cnoc2)C1 ZINC001601783810 1017882957 /nfs/dbraw/zinc/88/29/57/1017882957.db2.gz UHPMXJVXVYRIEV-MNOVXSKESA-N -1 0 307.306 -0.488 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(NCc2nnnn2C2CC2)CC1 ZINC001601781939 1017883044 /nfs/dbraw/zinc/88/30/44/1017883044.db2.gz UKWHPQWUGOMNOI-UWVGGRQHSA-N -1 0 320.353 -0.533 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCOC2(CN(C(=O)C3CCC3)C2)C1 ZINC001601782268 1017883195 /nfs/dbraw/zinc/88/31/95/1017883195.db2.gz XYJHOXAPKBOPAD-NWDGAFQWSA-N -1 0 322.361 -0.053 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(O)CCN(C(=O)C2CC2)CC1 ZINC001601783144 1017883212 /nfs/dbraw/zinc/88/32/12/1017883212.db2.gz WDHXRJFAOQBKLF-QWRGUYRKSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc3nnnn3n2)C1 ZINC001601783764 1017883387 /nfs/dbraw/zinc/88/33/87/1017883387.db2.gz TVJXGFOQXMPBKG-XAVMHZPKSA-N -1 0 317.309 -0.701 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)c1cccnc1 ZINC001601785922 1017883576 /nfs/dbraw/zinc/88/35/76/1017883576.db2.gz ZXVAXWOLLILWDU-RYUDHWBXSA-N -1 0 321.333 -0.647 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN1CCN(Cc2cnon2)CC1 ZINC001601784423 1017883585 /nfs/dbraw/zinc/88/35/85/1017883585.db2.gz VYOMLDZEXLKKSY-VXGBXAGGSA-N -1 0 323.353 -0.976 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cncc(F)c2)C1 ZINC001601784508 1017883724 /nfs/dbraw/zinc/88/37/24/1017883724.db2.gz YTUGBKWOOBXUTI-MNOVXSKESA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2cnns2)C1 ZINC001601785453 1017883728 /nfs/dbraw/zinc/88/37/28/1017883728.db2.gz YHEJHXQHHPJNKN-SFYZADRCSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]2C(=O)N([C@H]3CC(=O)N(C4CC4)C3)C(=O)N2C1 ZINC001601797158 1017883800 /nfs/dbraw/zinc/88/38/00/1017883800.db2.gz FENIOOFFIBPBTG-MIMYLULJSA-N -1 0 321.333 -0.123 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCN1CCN(Cc2cnon2)CC1 ZINC001601784418 1017883833 /nfs/dbraw/zinc/88/38/33/1017883833.db2.gz VYOMLDZEXLKKSY-NEPJUHHUSA-N -1 0 323.353 -0.976 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCN(C(=O)Cn1cccn1)C1CC1 ZINC001601784885 1017884211 /nfs/dbraw/zinc/88/42/11/1017884211.db2.gz WGJZKVJVCVUHRA-NEPJUHHUSA-N -1 0 320.349 -0.289 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]2C(=O)N([C@@H]3CC(=O)N(C4CC4)C3)C(=O)N2C1 ZINC001601797154 1017884234 /nfs/dbraw/zinc/88/42/34/1017884234.db2.gz FENIOOFFIBPBTG-FBIMIBRVSA-N -1 0 321.333 -0.123 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cncc(F)c2)C1 ZINC001601784507 1017884363 /nfs/dbraw/zinc/88/43/63/1017884363.db2.gz YTUGBKWOOBXUTI-GHMZBOCLSA-N -1 0 307.281 -0.118 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=COCCO3)C[C@H]21 ZINC001601784023 1017884417 /nfs/dbraw/zinc/88/44/17/1017884417.db2.gz UPVKPTHXAGRIBC-OFKSJOQMSA-N -1 0 322.317 -0.832 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@H](c3ncon3)C2)C1=O ZINC001601816938 1017884828 /nfs/dbraw/zinc/88/48/28/1017884828.db2.gz COFBGCYSEYLDFI-VHSXEESVSA-N -1 0 322.321 -0.291 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC001601813139 1017885128 /nfs/dbraw/zinc/88/51/28/1017885128.db2.gz BQLIBANLSFPVGE-DBIOUOCHSA-N -1 0 307.368 -0.301 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)C1 ZINC001601801934 1017885305 /nfs/dbraw/zinc/88/53/05/1017885305.db2.gz SVDOPGCAKFZUFM-GMTAPVOTSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC[C@@H](O)C(F)(F)C2)C1=O ZINC001601817407 1017885318 /nfs/dbraw/zinc/88/53/18/1017885318.db2.gz FFBISVIOSMRMKI-RKDXNWHRSA-N -1 0 320.292 -0.462 20 0 DBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCN(CC3CC3)CC2)CC1 ZINC001601820473 1017885701 /nfs/dbraw/zinc/88/57/01/1017885701.db2.gz MXCXEJRHHJFWJR-UHFFFAOYSA-N -1 0 323.393 -0.136 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001601820086 1017885837 /nfs/dbraw/zinc/88/58/37/1017885837.db2.gz DSSHMFVCHRHPEW-JGVFFNPUSA-N -1 0 324.255 -0.291 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC(N3CCCC3=O)C2)C1=O ZINC001601818700 1017885952 /nfs/dbraw/zinc/88/59/52/1017885952.db2.gz OHVXLXQFEMRKKB-NSHDSACASA-N -1 0 323.349 -0.857 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCC[C@H](CCO)C2)C1=O ZINC001601817829 1017886339 /nfs/dbraw/zinc/88/63/39/1017886339.db2.gz HNLPGFPPYKIIGZ-VXGBXAGGSA-N -1 0 312.366 -0.069 20 0 DBADRM O=C([O-])C1CCN(c2nnnn2[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC001601832643 1017886804 /nfs/dbraw/zinc/88/68/04/1017886804.db2.gz HOZYHYVNMOWFCO-LLVKDONJSA-N -1 0 320.353 -0.090 20 0 DBADRM O=C([O-])[C@H]1CCN1C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001601835131 1017886929 /nfs/dbraw/zinc/88/69/29/1017886929.db2.gz WVTDKWDPHXBNTA-PSASIEDQSA-N -1 0 311.319 -0.598 20 0 DBADRM O=C([O-])C1CCN(C(=O)CN2CCC[C@@H]3CCNC(=O)[C@@H]32)CC1 ZINC001601823475 1017887011 /nfs/dbraw/zinc/88/70/11/1017887011.db2.gz QTHWLQMBGWKCHM-BXUZGUMPSA-N -1 0 323.393 -0.090 20 0 DBADRM O=C([O-])[C@@H]1CCN1C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001601835133 1017887565 /nfs/dbraw/zinc/88/75/65/1017887565.db2.gz WVTDKWDPHXBNTA-WCBMZHEXSA-N -1 0 311.319 -0.598 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2C[C@@H]2CC3(CCC3)CO2)CCO1 ZINC001601849366 1017887892 /nfs/dbraw/zinc/88/78/92/1017887892.db2.gz GSIZDXNDLZQUTD-WDEREUQCSA-N -1 0 323.353 -0.078 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2COCCN2CC(F)F)CCO1 ZINC001601841178 1017888707 /nfs/dbraw/zinc/88/87/07/1017888707.db2.gz LQVJACOTJXKZHJ-IUCAKERBSA-N -1 0 308.281 -0.736 20 0 DBADRM O=C([O-])[C@H]1CN(c2nnnn2C[C@H]2CC3(CCC3)CO2)CCO1 ZINC001601849363 1017888755 /nfs/dbraw/zinc/88/87/55/1017888755.db2.gz GSIZDXNDLZQUTD-GHMZBOCLSA-N -1 0 323.353 -0.078 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1cnccn1 ZINC001601853981 1017889634 /nfs/dbraw/zinc/88/96/34/1017889634.db2.gz JPOXCUGBLPPLRD-JTQLQIEISA-N -1 0 313.335 -0.881 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)OC[C@@H]1CCCO1 ZINC001601854196 1017889884 /nfs/dbraw/zinc/88/98/84/1017889884.db2.gz USFJMTQGAAWKOT-DTWKUNHWSA-N -1 0 307.324 -0.514 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCc1cnccn1 ZINC001601853982 1017889952 /nfs/dbraw/zinc/88/99/52/1017889952.db2.gz JPOXCUGBLPPLRD-SNVBAGLBSA-N -1 0 313.335 -0.881 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1ccc2nonc2c1 ZINC001601854319 1017890325 /nfs/dbraw/zinc/89/03/25/1017890325.db2.gz BLUWIFUBCXYAIF-LLVKDONJSA-N -1 0 311.319 -0.094 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ncc(F)cc1F ZINC001601854759 1017890345 /nfs/dbraw/zinc/89/03/45/1017890345.db2.gz YVOWUYPRWFCOOB-MRVPVSSYSA-N -1 0 320.273 -0.316 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnc2cc[nH]c2c1 ZINC001601854682 1017890372 /nfs/dbraw/zinc/89/03/72/1017890372.db2.gz UXQWWMWBYLKPAT-NSHDSACASA-N -1 0 323.330 -0.113 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001601854615 1017890478 /nfs/dbraw/zinc/89/04/78/1017890478.db2.gz RIXRVZLCJUOWFA-SECBINFHSA-N -1 0 313.335 -0.778 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cnn2c1CCC2 ZINC001601854646 1017890561 /nfs/dbraw/zinc/89/05/61/1017890561.db2.gz SNMZTYKAHUTFMY-SNVBAGLBSA-N -1 0 313.335 -0.847 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1cn[nH]c1 ZINC001601854234 1017890617 /nfs/dbraw/zinc/89/06/17/1017890617.db2.gz XFEVVJFTKNKDTA-VIFPVBQESA-N -1 0 301.324 -0.948 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1noc(C2CC2)n1 ZINC001601854417 1017890673 /nfs/dbraw/zinc/89/06/73/1017890673.db2.gz GWLPJEGMFAMLFI-MRVPVSSYSA-N -1 0 301.324 -0.369 20 0 DBADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccncc1 ZINC001601900535 1017891089 /nfs/dbraw/zinc/89/10/89/1017891089.db2.gz XWSTVHPJWOIJGV-UWVGGRQHSA-N -1 0 313.335 -0.595 20 0 DBADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)c1cccs1 ZINC001601903134 1017890969 /nfs/dbraw/zinc/89/09/69/1017890969.db2.gz MAISOGCJWAPLQW-RQJHMYQMSA-N -1 0 311.319 -0.022 20 0 DBADRM O=C([O-])CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC001601888874 1017891080 /nfs/dbraw/zinc/89/10/80/1017891080.db2.gz XULJKPYRULMRPW-UHFFFAOYSA-N -1 0 319.317 -0.651 20 0 DBADRM O=C([O-])C[C@H](NC(=O)CCNC(=O)CO)c1ccc(F)cc1 ZINC001601898932 1017891256 /nfs/dbraw/zinc/89/12/56/1017891256.db2.gz WHDXLJNGABRXJG-NSHDSACASA-N -1 0 312.297 -0.044 20 0 DBADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1ccncc1 ZINC001601900538 1017891321 /nfs/dbraw/zinc/89/13/21/1017891321.db2.gz XWSTVHPJWOIJGV-ZJUUUORDSA-N -1 0 313.335 -0.595 20 0 DBADRM O=C([O-])C[C@@H](NS(=O)(=O)CCN1CCOC1=O)C1CC1 ZINC001601908857 1017891426 /nfs/dbraw/zinc/89/14/26/1017891426.db2.gz SUUWJRHXHOPNHI-SECBINFHSA-N -1 0 306.340 -0.389 20 0 DBADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@H](CO)CN2CCOCC2)o1 ZINC001601875681 1017891439 /nfs/dbraw/zinc/89/14/39/1017891439.db2.gz VWMOIYSLBDIRET-MORRKMRCSA-N -1 0 324.333 -0.200 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)COC2 ZINC001601908398 1017891498 /nfs/dbraw/zinc/89/14/98/1017891498.db2.gz FPQLEUYXRAXJRP-NSHDSACASA-N -1 0 308.290 -0.393 20 0 DBADRM O=C([O-])C[C@@H](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC001601906956 1017891517 /nfs/dbraw/zinc/89/15/17/1017891517.db2.gz PTISMHHIQHYFKZ-WDEREUQCSA-N -1 0 316.379 -0.078 20 0 DBADRM O=C([O-])CC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC001601888012 1017891580 /nfs/dbraw/zinc/89/15/80/1017891580.db2.gz DXEWYZYDHIJMSS-SSDOTTSWSA-N -1 0 307.349 -0.526 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Cc1ccc(-n2cnnc2)cc1 ZINC001601910497 1017892036 /nfs/dbraw/zinc/89/20/36/1017892036.db2.gz OVFDQNWZASRBCE-GFCCVEGCSA-N -1 0 304.306 -0.238 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C1CCN(c2cnccn2)CC1 ZINC001601911257 1017892360 /nfs/dbraw/zinc/89/23/60/1017892360.db2.gz YFNBKJMYABDCTN-LLVKDONJSA-N -1 0 308.338 -0.355 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)c1cnnn1-c1cccc(F)c1 ZINC001601913013 1017892385 /nfs/dbraw/zinc/89/23/85/1017892385.db2.gz RRMGKDHOVNNXLO-SNVBAGLBSA-N -1 0 308.269 -0.028 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)c1ccc(Cn2cncn2)cc1 ZINC001601910803 1017892493 /nfs/dbraw/zinc/89/24/93/1017892493.db2.gz NQFTUNGYRZPKQR-GFCCVEGCSA-N -1 0 304.306 -0.108 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC001601909470 1017892815 /nfs/dbraw/zinc/89/28/15/1017892815.db2.gz RONJTZWHNIZYRK-ZCFIWIBFSA-N -1 0 320.252 -0.962 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1ccc(Cl)cn1 ZINC001601908933 1017892861 /nfs/dbraw/zinc/89/28/61/1017892861.db2.gz MCOUTQUBRHSONS-SSDOTTSWSA-N -1 0 301.686 -0.375 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCC[C@@H]2CNC(=O)C2)CC1 ZINC001601923877 1017893526 /nfs/dbraw/zinc/89/35/26/1017893526.db2.gz RAEDECWFCHKDSG-VIFPVBQESA-N -1 0 304.368 -0.313 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)[C@H]1CCCN1Cc1ccccn1 ZINC001601909901 1017892946 /nfs/dbraw/zinc/89/29/46/1017892946.db2.gz JSKOOCIMGFMKTH-CHWSQXEVSA-N -1 0 307.350 -0.002 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)[C@@H]2CCCS(=O)(=O)C2)CCOC1 ZINC001601924750 1017893464 /nfs/dbraw/zinc/89/34/64/1017893464.db2.gz AGDGQVCNGJYELT-SKDRFNHKSA-N -1 0 305.352 -0.439 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)C(=O)Nc2cccc(F)n2)CCOC1 ZINC001601924440 1017893563 /nfs/dbraw/zinc/89/35/63/1017893563.db2.gz RCLYXIZLFNVFRH-ZDUSSCGKSA-N -1 0 311.269 -0.091 20 0 DBADRM O=C([O-])CC1(CS(=O)(=O)NCC[C@H]2CNC(=O)C2)CC1 ZINC001601923876 1017893832 /nfs/dbraw/zinc/89/38/32/1017893832.db2.gz RAEDECWFCHKDSG-SECBINFHSA-N -1 0 304.368 -0.313 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@H]2CCc3nnnn3CC2)CCOCC1 ZINC001601926272 1017893844 /nfs/dbraw/zinc/89/38/44/1017893844.db2.gz HMKMGMNFSJJOHW-JTQLQIEISA-N -1 0 323.353 -0.234 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@@H]2CCCS(=O)(=O)C2)CCOCC1 ZINC001601925645 1017893888 /nfs/dbraw/zinc/89/38/88/1017893888.db2.gz RWWJRMHHSBHZOW-SNVBAGLBSA-N -1 0 319.379 -0.049 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)N2CCS(=O)(=O)CC2)CCOC1 ZINC001601927958 1017894333 /nfs/dbraw/zinc/89/43/33/1017894333.db2.gz SDRRGUJFAAEUFF-NSHDSACASA-N -1 0 306.340 -0.940 20 0 DBADRM O=C([O-])CC1(NC(=O)[C@H](O)C2CC2)CCS(=O)(=O)CC1 ZINC001601924713 1017893926 /nfs/dbraw/zinc/89/39/26/1017893926.db2.gz FEEBPEBRFLEIJR-SNVBAGLBSA-N -1 0 305.352 -0.704 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)CN2CCN(C3CC3)C2=O)CCOC1 ZINC001601927153 1017894109 /nfs/dbraw/zinc/89/41/09/1017894109.db2.gz WMQFYPGMMLUOCQ-AWEZNQCLSA-N -1 0 311.338 -0.364 20 0 DBADRM O=C([O-])CC1(NC(=O)O[C@@H]2CCOC2)CCS(=O)(=O)CC1 ZINC001601929739 1017894171 /nfs/dbraw/zinc/89/41/71/1017894171.db2.gz MJRZWPRQHBYSMQ-SECBINFHSA-N -1 0 321.351 -0.076 20 0 DBADRM O=C([O-])CC1CC(NC(=O)C(=O)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC001601940369 1017894634 /nfs/dbraw/zinc/89/46/34/1017894634.db2.gz GVXUNILKOKALCF-TVMWAVNOSA-N -1 0 322.361 -0.105 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cc1cn2c(n1)CCCC2 ZINC001601938609 1017894955 /nfs/dbraw/zinc/89/49/55/1017894955.db2.gz BTJNGWISAFOZBS-NSHDSACASA-N -1 0 320.349 -0.436 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cc1c[nH]c2cnccc12 ZINC001601938660 1017895035 /nfs/dbraw/zinc/89/50/35/1017895035.db2.gz DCBSILRKSXYQKY-GFCCVEGCSA-N -1 0 316.317 -0.093 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1nnc(-c2ccco2)o1 ZINC001601939243 1017895083 /nfs/dbraw/zinc/89/50/83/1017895083.db2.gz KTTRLDHDRNFNFQ-ZETCQYMHSA-N -1 0 320.261 -0.255 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cc1ccccc1CO ZINC001601938886 1017895128 /nfs/dbraw/zinc/89/51/28/1017895128.db2.gz HLYLVSRFOUAUKC-GFCCVEGCSA-N -1 0 306.318 -0.477 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cccn2nccc12 ZINC001601940165 1017895638 /nfs/dbraw/zinc/89/56/38/1017895638.db2.gz GRUYHJGSYPLHHG-LLVKDONJSA-N -1 0 302.290 -0.250 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cccc2nc[nH]c21 ZINC001601943062 1017895895 /nfs/dbraw/zinc/89/58/95/1017895895.db2.gz XBZICRMCXBKHNR-JTQLQIEISA-N -1 0 302.290 -0.022 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCc2ccc(O)cc2)CCO1 ZINC001601957266 1017897072 /nfs/dbraw/zinc/89/70/72/1017897072.db2.gz AZWVQHUKBCBJDF-LBPRGKRZSA-N -1 0 322.317 -0.290 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCc3nncn3CC2)CCO1 ZINC001601957719 1017897266 /nfs/dbraw/zinc/89/72/66/1017897266.db2.gz DQOIVSMZIYXCHX-QWRGUYRKSA-N -1 0 308.338 -0.067 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N2CC(CC3CC3)C2)CCO1 ZINC001601957356 1017897901 /nfs/dbraw/zinc/89/79/01/1017897901.db2.gz CZXNGJDLOZAWAV-GFCCVEGCSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N2CCn3cccc3C2)CCO1 ZINC001601960149 1017898441 /nfs/dbraw/zinc/89/84/41/1017898441.db2.gz ZPCQJAKWQNTSHV-GFCCVEGCSA-N -1 0 321.333 -0.468 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)CCO1 ZINC001601961139 1017898494 /nfs/dbraw/zinc/89/84/94/1017898494.db2.gz XNWZYXGJBJUIDO-MRVPVSSYSA-N -1 0 305.290 -0.108 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)NCCc2cccnc2)CCO1 ZINC001601959477 1017898620 /nfs/dbraw/zinc/89/86/20/1017898620.db2.gz WQNUBEQDBRFTQP-GFCCVEGCSA-N -1 0 321.333 -0.558 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1Cn1nc2cnccn2c1=O ZINC001601967343 1017898898 /nfs/dbraw/zinc/89/88/98/1017898898.db2.gz CPHNDAZJWIBBNG-VIFPVBQESA-N -1 0 309.351 -0.259 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001601965818 1017899007 /nfs/dbraw/zinc/89/90/07/1017899007.db2.gz SYMJGFSQTDGCTH-GBIKHYSHSA-N -1 0 317.363 -0.487 20 0 DBADRM O=C([O-])CCC(=O)COC(=O)[C@@H]1COCCN1CC(F)F ZINC001601968511 1017899228 /nfs/dbraw/zinc/89/92/28/1017899228.db2.gz GGKDOMVGQSJLPW-VIFPVBQESA-N -1 0 309.265 -0.071 20 0 DBADRM O=C(CCc1ccncn1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1 ZINC001498986284 1017899152 /nfs/dbraw/zinc/89/91/52/1017899152.db2.gz OEJPTZFGYJQHRP-LLVKDONJSA-N -1 0 317.353 -0.376 20 0 DBADRM O=C([O-])C[C@H]1CSCCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC001601967095 1017899294 /nfs/dbraw/zinc/89/92/94/1017899294.db2.gz SIYCWDPQXIVWRJ-NWDGAFQWSA-N -1 0 313.423 -0.205 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1Cn1ccsc1=O ZINC001601967092 1017899316 /nfs/dbraw/zinc/89/93/16/1017899316.db2.gz SGGQBIUUHVGEJW-MRVPVSSYSA-N -1 0 306.365 -0.559 20 0 DBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1Cc1ncnn1CCF ZINC001601968911 1017901499 /nfs/dbraw/zinc/90/14/99/1017901499.db2.gz WCCUQHYSPRGHQU-SECBINFHSA-N -1 0 320.346 -0.679 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC001601998801 1017906019 /nfs/dbraw/zinc/90/60/19/1017906019.db2.gz HGBKRPSZODSYKD-NEPJUHHUSA-N -1 0 320.411 -0.288 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC001601998804 1017906566 /nfs/dbraw/zinc/90/65/66/1017906566.db2.gz HGBKRPSZODSYKD-VXGBXAGGSA-N -1 0 320.411 -0.288 20 0 DBADRM O=C([O-])CCCc1nnc(NC(=O)N2C[C@H](O)[C@@H](O)C2)s1 ZINC001602001738 1017907429 /nfs/dbraw/zinc/90/74/29/1017907429.db2.gz LYEDEUQUURBRKH-BQBZGAKWSA-N -1 0 316.339 -0.485 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](OC(=O)[C@@]2(O)CCOC2)C1=O ZINC001602012015 1017908556 /nfs/dbraw/zinc/90/85/56/1017908556.db2.gz PKDSMPSTYRAKFZ-NOZJJQNGSA-N -1 0 301.295 -0.853 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)c2ccc3nnnn3c2)C1=O ZINC001602010896 1017908717 /nfs/dbraw/zinc/90/87/17/1017908717.db2.gz JKOUUCVBEXANHD-VIFPVBQESA-N -1 0 319.277 -0.643 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC(F)F ZINC001602005645 1017908823 /nfs/dbraw/zinc/90/88/23/1017908823.db2.gz HJGBLWGNUILWPY-MRVPVSSYSA-N -1 0 308.281 -0.150 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](N2CCn3nnc(CO)c3C2)C1=O ZINC001602011416 1017911168 /nfs/dbraw/zinc/91/11/68/1017911168.db2.gz LAFLCYULOLLSSU-LLVKDONJSA-N -1 0 323.353 -0.948 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)c2ccc3nncn3c2)C1=O ZINC001602011297 1017911756 /nfs/dbraw/zinc/91/17/56/1017911756.db2.gz NTKJOFFWTQLFLK-JTQLQIEISA-N -1 0 318.289 -0.038 20 0 DBADRM O=C([O-])CCN1CC[C@H](OC(=O)CCN2CCCC2=O)C1=O ZINC001602012113 1017911813 /nfs/dbraw/zinc/91/18/13/1017911813.db2.gz VJPUUWHWSGERGM-JTQLQIEISA-N -1 0 312.322 -0.382 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N(CCO)Cc2cccnc2)C1=O ZINC001602009538 1017912116 /nfs/dbraw/zinc/91/21/16/1017912116.db2.gz JGSWKZGKXAAXDD-CYBMUJFWSA-N -1 0 307.350 -0.049 20 0 DBADRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1ns[nH]c1=O ZINC001602006380 1017912731 /nfs/dbraw/zinc/91/27/31/1017912731.db2.gz VZJWVGJTCMEWSM-SSDOTTSWSA-N -1 0 301.324 -0.073 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)C2(C(=O)NC3CC3)CC2)C1=O ZINC001602017228 1017913637 /nfs/dbraw/zinc/91/36/37/1017913637.db2.gz UVVFCDYTJSCTFM-SNVBAGLBSA-N -1 0 324.333 -0.336 20 0 DBADRM O=C([O-])CCN1CCN(S(=O)(=O)CCn2cccn2)CC1 ZINC001602012637 1017913739 /nfs/dbraw/zinc/91/37/39/1017913739.db2.gz LBHKSENCXMNNLS-UHFFFAOYSA-N -1 0 316.383 -0.695 20 0 DBADRM O=C([O-])CCN1CCC[C@H](OC(=O)[C@@H]2COCCO2)C1=O ZINC001602014475 1017913927 /nfs/dbraw/zinc/91/39/27/1017913927.db2.gz YXQPPMUUIUBIEL-UWVGGRQHSA-N -1 0 301.295 -0.589 20 0 DBADRM O=C([O-])CCN1CC[C@H](N2CCN(c3ncccn3)CC2)C1=O ZINC001602015034 1017915993 /nfs/dbraw/zinc/91/59/93/1017915993.db2.gz INAPCSYGSMFMLE-LBPRGKRZSA-N -1 0 319.365 -0.326 20 0 DBADRM O=C([O-])CCN1CCC[C@@H](OC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001602014337 1017916106 /nfs/dbraw/zinc/91/61/06/1017916106.db2.gz KIXDYTHAPWRYOF-JGVFFNPUSA-N -1 0 300.267 -0.896 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)[C@@H]2CCNC(=O)CC2)C1=O ZINC001602015076 1017916641 /nfs/dbraw/zinc/91/66/41/1017916641.db2.gz IWTBASSMSGDFFY-VHSXEESVSA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])CCNC(=O)CCN1C(=O)[C@H]2CSCN2C1=O ZINC001602016088 1017916773 /nfs/dbraw/zinc/91/67/73/1017916773.db2.gz WULHPPYACMRUTE-SSDOTTSWSA-N -1 0 301.324 -0.696 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)/C=C\Cn2cncn2)C1=O ZINC001602014971 1017916799 /nfs/dbraw/zinc/91/67/99/1017916799.db2.gz HWJPCGVZWVFJRA-JWXWKVPASA-N -1 0 308.294 -0.547 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1=O ZINC001602014250 1017917537 /nfs/dbraw/zinc/91/75/37/1017917537.db2.gz DEACEIAZWQIVDJ-OUAUKWLOSA-N -1 0 316.379 -0.962 20 0 DBADRM O=C([O-])CCN1CC[C@@H](OC(=O)[C@@H](O)c2cccnc2)C1=O ZINC001602017425 1017918215 /nfs/dbraw/zinc/91/82/15/1017918215.db2.gz XQGHUXGMDCYOMM-PWSUYJOCSA-N -1 0 308.290 -0.266 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC(OCC(F)F)C1 ZINC001602017799 1017918550 /nfs/dbraw/zinc/91/85/50/1017918550.db2.gz KFVNVPWXSFXOEO-UHFFFAOYSA-N -1 0 323.296 -0.357 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N[C@@H](CO)C1CCCC1 ZINC001602019402 1017918733 /nfs/dbraw/zinc/91/87/33/1017918733.db2.gz KZPZXLGELBUIKG-NSHDSACASA-N -1 0 315.370 -0.182 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCCC[C@@H]1CCO ZINC001602017776 1017919957 /nfs/dbraw/zinc/91/99/57/1017919957.db2.gz JFRVUYYBKSGEAD-LLVKDONJSA-N -1 0 315.370 -0.086 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NC[C@]1(O)CCSC1 ZINC001602019714 1017920010 /nfs/dbraw/zinc/92/00/10/1017920010.db2.gz OPOMJEZESCCWJN-GFCCVEGCSA-N -1 0 319.383 -0.865 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCCc1ccccn1 ZINC001602018458 1017920138 /nfs/dbraw/zinc/92/01/38/1017920138.db2.gz BDQHKYFILRTWFM-UHFFFAOYSA-N -1 0 308.338 -0.096 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)Cc1cn2c(n1)CCCC2 ZINC001602017582 1017920169 /nfs/dbraw/zinc/92/01/69/1017920169.db2.gz BCQJGPVMURSSSE-UHFFFAOYSA-N -1 0 322.365 -0.141 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCCc2n[nH]cc2C1 ZINC001602020483 1017921764 /nfs/dbraw/zinc/92/17/64/1017921764.db2.gz XFDNFYKXJVPXDW-UHFFFAOYSA-N -1 0 323.353 -0.152 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NC[C@H](O)C1CCC1 ZINC001602020227 1017922962 /nfs/dbraw/zinc/92/29/62/1017922962.db2.gz URYZCGNUOYXHRA-JTQLQIEISA-N -1 0 301.343 -0.572 20 0 DBADRM O=C([O-])CCNC(=O)COC(=O)CNC(=O)c1cccs1 ZINC001602021147 1017923202 /nfs/dbraw/zinc/92/32/02/1017923202.db2.gz FSBFJZNATWKVHJ-UHFFFAOYSA-N -1 0 314.319 -0.388 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NC[C@@H]1CC[C@H](O)C1 ZINC001602020209 1017923461 /nfs/dbraw/zinc/92/34/61/1017923461.db2.gz UIQVHSNLGOAMSW-ZJUUUORDSA-N -1 0 301.343 -0.572 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)Nc1ccn(CCF)n1 ZINC001602019852 1017924068 /nfs/dbraw/zinc/92/40/68/1017924068.db2.gz AIXZWCMLFDIQLJ-UHFFFAOYSA-N -1 0 315.305 -0.045 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=S)NCc1ccon1 ZINC001602020792 1017924182 /nfs/dbraw/zinc/92/41/82/1017924182.db2.gz YZXUWSUVVMRZEO-UHFFFAOYSA-N -1 0 300.340 -0.380 20 0 DBADRM O=C([O-])CCNC(=O)CN1CCN(c2ncc(F)cn2)CC1 ZINC001602022512 1017924815 /nfs/dbraw/zinc/92/48/15/1017924815.db2.gz ZHFFHIRVXIVXBI-UHFFFAOYSA-N -1 0 311.317 -0.671 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NCc1ccc(CO)cc1 ZINC001602020835 1017924828 /nfs/dbraw/zinc/92/48/28/1017924828.db2.gz QLOHEMBFROGCTC-UHFFFAOYSA-N -1 0 323.349 -0.041 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)NC[C@H]1CC[C@H](O)C1 ZINC001602020207 1017925118 /nfs/dbraw/zinc/92/51/18/1017925118.db2.gz UIQVHSNLGOAMSW-UWVGGRQHSA-N -1 0 301.343 -0.572 20 0 DBADRM O=C([O-])CN(C1CCOCC1)S(=O)(=O)CCn1cccn1 ZINC001602052321 1017926040 /nfs/dbraw/zinc/92/60/40/1017926040.db2.gz UDKNVORPFHRCIZ-UHFFFAOYSA-N -1 0 317.367 -0.222 20 0 DBADRM O=C([O-])CC[C@H]1NC(=O)N(c2ccc3c(c2)C(=O)NC3=O)C1=O ZINC001602038862 1017926546 /nfs/dbraw/zinc/92/65/46/1017926546.db2.gz IFSHFJYLEWRXIU-SECBINFHSA-N -1 0 317.257 -0.140 20 0 DBADRM O=C([O-])CCSCCNC(=O)c1cnn(C[C@H](O)CO)c1 ZINC001602029413 1017927400 /nfs/dbraw/zinc/92/74/00/1017927400.db2.gz IYCVMACLVDQSIK-JTQLQIEISA-N -1 0 317.367 -0.826 20 0 DBADRM O=C([O-])CN(C(=O)c1cnn(C[C@@H](O)CO)c1)C1CCCC1 ZINC001602052538 1017927812 /nfs/dbraw/zinc/92/78/12/1017927812.db2.gz IURINJYFSVBXMQ-GFCCVEGCSA-N -1 0 311.338 -0.294 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCC(=O)N2CCOCC2)O1 ZINC001602036651 1017928543 /nfs/dbraw/zinc/92/85/43/1017928543.db2.gz FJBHSNPLQJXMKQ-WDEREUQCSA-N -1 0 314.338 -0.626 20 0 DBADRM O=C([O-])CCc1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)cc1 ZINC001602037693 1017929144 /nfs/dbraw/zinc/92/91/44/1017929144.db2.gz DOEACGOMHRQUFB-TXEJJXNPSA-N -1 0 322.317 -0.794 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@H](O)c1cccnc1 ZINC001602064100 1017934305 /nfs/dbraw/zinc/93/43/05/1017934305.db2.gz KCTGIACHETZSKL-ZYHUDNBSSA-N -1 0 307.306 -0.693 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)CCCCc1c[nH]nn1 ZINC001602064423 1017934808 /nfs/dbraw/zinc/93/48/08/1017934808.db2.gz UOOCDIBBMXKVIC-LLVKDONJSA-N -1 0 323.353 -0.291 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)C1CN(CC(F)F)C1 ZINC001602063964 1017934864 /nfs/dbraw/zinc/93/48/64/1017934864.db2.gz JCGJJQALHBMYFM-VIFPVBQESA-N -1 0 319.308 -0.625 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)Cc1ccnc(F)c1 ZINC001602064647 1017935123 /nfs/dbraw/zinc/93/51/23/1017935123.db2.gz DAHFIFCJPARTNS-SNVBAGLBSA-N -1 0 309.297 -0.045 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCn2ncnc21 ZINC001602064474 1017935865 /nfs/dbraw/zinc/93/58/65/1017935865.db2.gz WPBLXBHYFDUUEL-UWVGGRQHSA-N -1 0 321.337 -0.653 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C[C@H]1CCS(=O)(=O)C1 ZINC001602067736 1017938431 /nfs/dbraw/zinc/93/84/31/1017938431.db2.gz KLRCFBQCQTWCIJ-ZJUUUORDSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])CNC(=O)CCN1CCn2c(CC3CC3)nnc2C1 ZINC001602066881 1017938589 /nfs/dbraw/zinc/93/85/89/1017938589.db2.gz XZSKEWAXPMQAEN-UHFFFAOYSA-N -1 0 307.354 -0.363 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001602068623 1017938826 /nfs/dbraw/zinc/93/88/26/1017938826.db2.gz RXKQRABHMLDFRA-FRRDWIJNSA-N -1 0 311.382 -0.485 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1c2c(ccc1F)OCO2 ZINC001602068919 1017939274 /nfs/dbraw/zinc/93/92/74/1017939274.db2.gz DRSFFMQEBYMRPK-UHFFFAOYSA-N -1 0 313.241 -0.123 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C[C@@H]1CCS(=O)(=O)C1 ZINC001602067730 1017940491 /nfs/dbraw/zinc/94/04/91/1017940491.db2.gz KLRCFBQCQTWCIJ-UWVGGRQHSA-N -1 0 304.368 -0.914 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Nc1cccc2c1NC(=O)CO2 ZINC001602069357 1017940709 /nfs/dbraw/zinc/94/07/09/1017940709.db2.gz BGJVVAIREYZUPI-UHFFFAOYSA-N -1 0 322.277 -0.660 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2nncn2c1 ZINC001602067326 1017941095 /nfs/dbraw/zinc/94/10/95/1017941095.db2.gz RCKWCFYDLBWPRA-JTQLQIEISA-N -1 0 317.305 -0.465 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccco1 ZINC001602067041 1017941665 /nfs/dbraw/zinc/94/16/65/1017941665.db2.gz XTYSKFSJKPBLEA-QMMMGPOBSA-N -1 0 302.308 -0.367 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)Cc1ccn(-c2ccccc2)n1 ZINC001602069166 1017941833 /nfs/dbraw/zinc/94/18/33/1017941833.db2.gz OQWOGQMYBNQGAG-UHFFFAOYSA-N -1 0 316.317 -0.268 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cccc2c1OC(F)(F)O2 ZINC001602070217 1017943268 /nfs/dbraw/zinc/94/32/68/1017943268.db2.gz ZSDXPDREXIRRTK-UHFFFAOYSA-N -1 0 316.216 -0.061 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cn(Cc2ccccc2)nn1 ZINC001602070114 1017943338 /nfs/dbraw/zinc/94/33/38/1017943338.db2.gz SVOXSNRWAKMOJP-UHFFFAOYSA-N -1 0 317.305 -0.743 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1nnc2ccccc2c1O ZINC001602070079 1017944678 /nfs/dbraw/zinc/94/46/78/1017944678.db2.gz QTACHHSIKSNUMY-UHFFFAOYSA-N -1 0 304.262 -0.734 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)C[C@H]1CCC1(F)F ZINC001602071034 1017944960 /nfs/dbraw/zinc/94/49/60/1017944960.db2.gz VQPUZQUWPHRFNW-ZCFIWIBFSA-N -1 0 300.283 -0.848 20 0 DBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C2(O)COC2)cc1 ZINC001602071631 1017945779 /nfs/dbraw/zinc/94/57/79/1017945779.db2.gz RRALSVGYPDYYPH-UHFFFAOYSA-N -1 0 308.290 -0.870 20 0 DBADRM O=C([O-])CNC(=O)CNc1cc(C(F)F)nc2ncnn21 ZINC001602071023 1017946164 /nfs/dbraw/zinc/94/61/64/1017946164.db2.gz UWLSFXXGIUEPHQ-UHFFFAOYSA-N -1 0 300.225 -0.325 20 0 DBADRM O=C([O-])COCC(=O)N[C@H](CO)c1nc(-c2ccccc2)no1 ZINC001602076837 1017948310 /nfs/dbraw/zinc/94/83/10/1017948310.db2.gz XDMFNWUCIGEFII-SNVBAGLBSA-N -1 0 321.289 -0.013 20 0 DBADRM O=C([O-])COCCNC(=O)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC001602078890 1017948598 /nfs/dbraw/zinc/94/85/98/1017948598.db2.gz MWRARVORXAREOI-UTUOFQBUSA-N -1 0 316.354 -0.341 20 0 DBADRM O=C([O-])COCCNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001602077972 1017948809 /nfs/dbraw/zinc/94/88/09/1017948809.db2.gz PAUPCACBGWRNRA-RYUDHWBXSA-N -1 0 323.305 -0.825 20 0 DBADRM O=C([O-])COCCNC(=O)N[C@@H]1COc2ccccc2[C@H]1O ZINC001602079831 1017952136 /nfs/dbraw/zinc/95/21/36/1017952136.db2.gz UXSWVYNXAIUTGX-ZWNOBZJWSA-N -1 0 310.306 -0.119 20 0 DBADRM O=C([O-])COCCNS(=O)(=O)Cc1noc(C2CC2)n1 ZINC001602080726 1017952421 /nfs/dbraw/zinc/95/24/21/1017952421.db2.gz REESMWAIEYNMGZ-UHFFFAOYSA-N -1 0 305.312 -0.532 20 0 DBADRM O=C([O-])CSCCC(=O)NCCn1ccc(=O)[nH]c1=O ZINC001602098320 1017953464 /nfs/dbraw/zinc/95/34/64/1017953464.db2.gz ZQIIRMCJKHULHI-UHFFFAOYSA-N -1 0 301.324 -0.727 20 0 DBADRM O=C([O-])COCCNC(=O)NCCCOC1CCOCC1 ZINC001602080069 1017954438 /nfs/dbraw/zinc/95/44/38/1017954438.db2.gz VZNSTYYMMCLAQG-UHFFFAOYSA-N -1 0 304.343 -0.028 20 0 DBADRM O=C([O-])CSCCNC(=O)CN1CCCCS1(=O)=O ZINC001602099436 1017956054 /nfs/dbraw/zinc/95/60/54/1017956054.db2.gz SVBQLLRJMKDHJJ-UHFFFAOYSA-N -1 0 310.397 -0.654 20 0 DBADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001602107747 1017956226 /nfs/dbraw/zinc/95/62/26/1017956226.db2.gz GWLRDUGMFYXBEB-IVZWLZJFSA-N -1 0 324.337 -0.425 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C(=O)NCCOCCF)C1 ZINC001602109172 1017956392 /nfs/dbraw/zinc/95/63/92/1017956392.db2.gz RIGYABYYPCUDGL-ZJUUUORDSA-N -1 0 304.318 -0.152 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1 ZINC001602121764 1017956412 /nfs/dbraw/zinc/95/64/12/1017956412.db2.gz QGWFWLLVENHHDX-YRGRVCCFSA-N -1 0 307.302 -0.335 20 0 DBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)N2CC[C@H]2CO)cc1F ZINC001602122290 1017958462 /nfs/dbraw/zinc/95/84/62/1017958462.db2.gz MVFMEVYDFLVMIC-JTQLQIEISA-N -1 0 310.281 -0.016 20 0 DBADRM O=C([O-])Cc1cccc(S(=O)(=O)NCCn2ccnn2)c1 ZINC001602143420 1017959413 /nfs/dbraw/zinc/95/94/13/1017959413.db2.gz RPROJRCKBFNZRY-UHFFFAOYSA-N -1 0 310.335 -0.116 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)N2C[C@H](O)C[C@H]2CO)n1 ZINC001602151851 1017960130 /nfs/dbraw/zinc/96/01/30/1017960130.db2.gz GWZNUOICFXINDO-JGVFFNPUSA-N -1 0 301.324 -0.270 20 0 DBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC001602136826 1017960215 /nfs/dbraw/zinc/96/02/15/1017960215.db2.gz ZNLFGPJKCHHBOT-ITGUQSILSA-N -1 0 318.329 -0.051 20 0 DBADRM O=C([O-])Cc1ccccc1CNC(=O)CN1CCC(=O)NC1=O ZINC001602144245 1017960301 /nfs/dbraw/zinc/96/03/01/1017960301.db2.gz BSHMVBFBEQMCKS-UHFFFAOYSA-N -1 0 319.317 -0.128 20 0 DBADRM O=C([O-])Cc1sccc1C(=O)NC[C@@H](O)Cn1ccnn1 ZINC001602156840 1017962318 /nfs/dbraw/zinc/96/23/18/1017962318.db2.gz BFGZCFYBHPMPAZ-MRVPVSSYSA-N -1 0 310.335 -0.242 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@@H](O)[C@@H](F)C2)cn1 ZINC001602163354 1017962972 /nfs/dbraw/zinc/96/29/72/1017962972.db2.gz JNGIQWBYMRBQQD-DTWKUNHWSA-N -1 0 307.303 -0.939 20 0 DBADRM O=C([O-])Cn1cc(CNC[C@@H]2CCCCS2(=O)=O)nn1 ZINC001602161996 1017963213 /nfs/dbraw/zinc/96/32/13/1017963213.db2.gz OPDNCLFTVXLNLB-JTQLQIEISA-N -1 0 302.356 -0.580 20 0 DBADRM O=C([O-])Cn1cc(CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)nn1 ZINC001602162940 1017963563 /nfs/dbraw/zinc/96/35/63/1017963563.db2.gz PGHAVVQGRIQTDQ-VHSXEESVSA-N -1 0 314.367 -0.771 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@H](O)[C@H](F)C2)cn1 ZINC001602163353 1017963853 /nfs/dbraw/zinc/96/38/53/1017963853.db2.gz JNGIQWBYMRBQQD-BDAKNGLRSA-N -1 0 307.303 -0.939 20 0 DBADRM O=C([O-])Cn1cc(CCCOC(=O)C[C@H]2COC(=O)C2)nn1 ZINC001602159593 1017964269 /nfs/dbraw/zinc/96/42/69/1017964269.db2.gz QTTJSSFEFXVQSD-SECBINFHSA-N -1 0 311.294 -0.208 20 0 DBADRM O=C([O-])Cn1ncc2ccc(NC(=O)CCNC(=O)CO)cc21 ZINC001602167314 1017968115 /nfs/dbraw/zinc/96/81/15/1017968115.db2.gz WXIMSZZVMYTUEW-UHFFFAOYSA-N -1 0 320.305 -0.442 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NC2CCS(=O)(=O)CC2)n1 ZINC001602165169 1017968914 /nfs/dbraw/zinc/96/89/14/1017968914.db2.gz KZKCOVSTFWIVIH-UHFFFAOYSA-N -1 0 316.339 -0.334 20 0 DBADRM O=C([O-])Cn1ncc2c1ncn(CC(=O)C1CCOCC1)c2=O ZINC001602167613 1017970102 /nfs/dbraw/zinc/97/01/02/1017970102.db2.gz SGPCHMUQBBFLEC-UHFFFAOYSA-N -1 0 320.305 -0.327 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001602168734 1017970354 /nfs/dbraw/zinc/97/03/54/1017970354.db2.gz AHLKXPMFOCWOMN-GARJFASQSA-N -1 0 303.334 -0.350 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001602170416 1017971374 /nfs/dbraw/zinc/97/13/74/1017971374.db2.gz WOMTXHFDVPGVCI-IUCAKERBSA-N -1 0 317.317 -0.918 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCOC[C@H]2C[C@H]2CCOC2)C(=O)O1 ZINC001602188088 1017971939 /nfs/dbraw/zinc/97/19/39/1017971939.db2.gz GSTVCSAHNXZMOR-UTUOFQBUSA-N -1 0 314.338 -0.023 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC001602191980 1017971986 /nfs/dbraw/zinc/97/19/86/1017971986.db2.gz ZELXQTJQKNCBIL-UMNHJUIQSA-N -1 0 322.317 -0.326 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001602192838 1017972045 /nfs/dbraw/zinc/97/20/45/1017972045.db2.gz YMCRNIRCUZDSRY-NOOOWODRSA-N -1 0 319.379 -0.206 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001602196356 1017972769 /nfs/dbraw/zinc/97/27/69/1017972769.db2.gz DKGBNYUPZQBWTI-WEDXCCLWSA-N -1 0 310.285 -0.214 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CCCN1C(=O)CCC1=O ZINC001602196293 1017973191 /nfs/dbraw/zinc/97/31/91/1017973191.db2.gz AMXQFLOCLUGHLS-IUCAKERBSA-N -1 0 300.286 -0.061 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)Cn1nnc2ccccc2c1=O ZINC001602196856 1017973396 /nfs/dbraw/zinc/97/33/96/1017973396.db2.gz QJGFBPHXSALIAP-KWQFWETISA-N -1 0 320.280 -0.185 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)C1 ZINC001602191992 1017973984 /nfs/dbraw/zinc/97/39/84/1017973984.db2.gz ZXOPYCDTZCZLKT-WBGSPAEQSA-N -1 0 301.364 -0.012 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001602194638 1017974037 /nfs/dbraw/zinc/97/40/37/1017974037.db2.gz FHIQSCZJSZHGFT-YUSALJHKSA-N -1 0 323.353 -0.162 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2CCC[C@@H]2CN2CCOCC2)C(=O)O1 ZINC001602188225 1017974735 /nfs/dbraw/zinc/97/47/35/1017974735.db2.gz OYHMSWXOHGNSMT-NEPJUHHUSA-N -1 0 313.354 -0.354 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)C[C@@H]1C=CCC1 ZINC001602197655 1017975435 /nfs/dbraw/zinc/97/54/35/1017975435.db2.gz KTUPRLZQEXSWJH-VWYCJHECSA-N -1 0 321.333 -0.051 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)NCC3N=NC(=O)N3C3CC3)C[C@@H]21 ZINC001602205495 1017975970 /nfs/dbraw/zinc/97/59/70/1017975970.db2.gz PGZYBRSIYQJTTM-MBTKJCJQSA-N -1 0 307.310 -0.209 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CCN3C(=O)CCNC3=S)C[C@@H]21 ZINC001602206727 1017976321 /nfs/dbraw/zinc/97/63/21/1017976321.db2.gz IOKHZAVAFNLOAO-VROVMSAKSA-N -1 0 311.363 -0.728 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N([C@H]2CCOC23CCOCC3)C1=O ZINC001602200041 1017976548 /nfs/dbraw/zinc/97/65/48/1017976548.db2.gz NHBKVFNLICOWPI-ZNSHCXBVSA-N -1 0 324.333 -0.034 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N(CC2(N3CCOCC3)CC2)C1=O ZINC001602199874 1017976564 /nfs/dbraw/zinc/97/65/64/1017976564.db2.gz KWBAWDNXKIFFMG-MXWKQRLJSA-N -1 0 323.349 -0.508 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CN1C(=O)N[C@@H](C[C@H]2CCCO2)C1=O ZINC001602202682 1017976798 /nfs/dbraw/zinc/97/67/98/1017976798.db2.gz YYNPQCKYGQEQQV-CHWFTXMASA-N -1 0 312.322 -0.034 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@]12CCOC2=O ZINC001602202414 1017977840 /nfs/dbraw/zinc/97/78/40/1017977840.db2.gz ZRGQTLDWMPKTLP-RULNRJAQSA-N -1 0 312.322 -0.033 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1cnc2n1CCC2 ZINC001602201188 1017978283 /nfs/dbraw/zinc/97/82/83/1017978283.db2.gz MNMXPBFRUWJPHF-LDYMZIIASA-N -1 0 315.351 -0.403 20 0 DBADRM O=C([O-])[C@]12CN(c3nnnn3[C@H]3CCOC3)C[C@H]1COCC2 ZINC001602208510 1017979639 /nfs/dbraw/zinc/97/96/39/1017979639.db2.gz VJJFBEBDEFICJD-OUJBWJOFSA-N -1 0 309.326 -0.438 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)no1 ZINC001602245143 1017981205 /nfs/dbraw/zinc/98/12/05/1017981205.db2.gz LDYMNPSCFOOSDI-JGVFFNPUSA-N -1 0 314.319 -0.121 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN(CC(F)(F)CO)CC2)on1 ZINC001602242623 1017982521 /nfs/dbraw/zinc/98/25/21/1017982521.db2.gz BNQAJEDHZDCRCN-UHFFFAOYSA-N -1 0 319.264 -0.242 20 0 DBADRM O=C([O-])c1c(F)cccc1S(=O)(=O)N1C[C@H](CO)[C@H](O)C1 ZINC001602230444 1017982728 /nfs/dbraw/zinc/98/27/28/1017982728.db2.gz TYUSXMMVWWOTEB-VXNVDRBHSA-N -1 0 319.310 -0.502 20 0 DBADRM O=C([O-])c1c(NC(=O)[C@@H]2C[C@]23CCOC3)[nH]nc1OCCO ZINC001602231894 1017982785 /nfs/dbraw/zinc/98/27/85/1017982785.db2.gz CBDJGSVJYJFCNA-CPFSXVBKSA-N -1 0 311.294 -0.156 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN(c3nc[nH]n3)CC2)ccn1 ZINC001602243817 1017982986 /nfs/dbraw/zinc/98/29/86/1017982986.db2.gz RTWYMYJHOUOBLH-UHFFFAOYSA-N -1 0 302.294 -0.140 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CO[C@@H](C3CC3)C2)n[nH]1 ZINC001602294344 1017983696 /nfs/dbraw/zinc/98/36/96/1017983696.db2.gz YJWKNNILSKMWMG-VXNVDRBHSA-N -1 0 301.324 -0.046 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@@H](n3cccn3)C2)n[nH]1 ZINC001602289572 1017984122 /nfs/dbraw/zinc/98/41/22/1017984122.db2.gz MBAPPEMMFDNCMW-MRVPVSSYSA-N -1 0 311.323 -0.060 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@H](O)C(F)(F)C2)on1 ZINC001602289568 1017985171 /nfs/dbraw/zinc/98/51/71/1017985171.db2.gz LTACLWLMAPXRCJ-LURJTMIESA-N -1 0 312.250 -0.237 20 0 DBADRM O=C([O-])c1cc(F)cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC001602271983 1017985735 /nfs/dbraw/zinc/98/57/35/1017985735.db2.gz OUBHQOJOKQRWSC-NXEZZACHSA-N -1 0 317.294 -0.588 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3CCOC[C@]3(CO)C2)cn1 ZINC001602320428 1017987225 /nfs/dbraw/zinc/98/72/25/1017987225.db2.gz VDYONZMQBJCLPY-OAHLLOKOSA-N -1 0 321.333 -0.701 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc(F)c1F ZINC001602297803 1017987299 /nfs/dbraw/zinc/98/72/99/1017987299.db2.gz LEJDVXUTEMNWCH-RKDXNWHRSA-N -1 0 323.273 -0.299 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)[nH]1 ZINC001602317989 1017987388 /nfs/dbraw/zinc/98/73/88/1017987388.db2.gz JNUPHTKPQRKLPW-VIFPVBQESA-N -1 0 321.333 -0.184 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@H](CO)[C@H](O)c2ccccn2)nc1 ZINC001602321053 1017988663 /nfs/dbraw/zinc/98/86/63/1017988663.db2.gz PCQIZBKPZDWPSR-CHWSQXEVSA-N -1 0 317.301 -0.001 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCNC2=O)cc(F)c1F ZINC001602297235 1017988697 /nfs/dbraw/zinc/98/86/97/1017988697.db2.gz QYRQSIYOXCHKBX-QMMMGPOBSA-N -1 0 320.273 -0.170 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)cc(F)c1F ZINC001602297802 1017989525 /nfs/dbraw/zinc/98/95/25/1017989525.db2.gz LEJDVXUTEMNWCH-BDAKNGLRSA-N -1 0 323.273 -0.299 20 0 DBADRM O=C([O-])c1ccc(C(=O)N(CCO)CCOCCO)s1 ZINC001602317614 1017989635 /nfs/dbraw/zinc/98/96/35/1017989635.db2.gz CRTYOONKYTUYCP-UHFFFAOYSA-N -1 0 303.336 -0.110 20 0 DBADRM O=C([O-])c1ccc(C(=O)N[C@H](CO)[C@@H](O)c2ccccn2)[nH]1 ZINC001602321036 1017989813 /nfs/dbraw/zinc/98/98/13/1017989813.db2.gz ONTHFVVMHJLFIU-NEPJUHHUSA-N -1 0 305.290 -0.068 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2C[NH+]3CCC2CC3)on1 ZINC001602295849 1017990447 /nfs/dbraw/zinc/99/04/47/1017990447.db2.gz FTNJUHAFEFZOMM-VIFPVBQESA-N -1 0 315.351 -0.007 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CCO[C@H]([C@H]3CCCO3)C2)n1 ZINC001602313460 1017990530 /nfs/dbraw/zinc/99/05/30/1017990530.db2.gz KJPHFLXPRBWFES-NEPJUHHUSA-N -1 0 309.322 -0.221 20 0 DBADRM O=C([O-])c1ccc(C(=O)NC[C@@]23COCCN2C(=O)COC3)o1 ZINC001602322188 1017991426 /nfs/dbraw/zinc/99/14/26/1017991426.db2.gz ZQWSBLGBHUKXCH-AWEZNQCLSA-N -1 0 324.289 -0.665 20 0 DBADRM O=C([O-])c1ncsc1S(=O)(=O)NC[C@H]1COCCN1 ZINC001602582445 1018022865 /nfs/dbraw/zinc/02/28/65/1018022865.db2.gz FKGVQQDQBCLHNX-LURJTMIESA-N -1 0 307.353 -0.892 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)n1 ZINC001602431812 1017994150 /nfs/dbraw/zinc/99/41/50/1017994150.db2.gz WGLWTBZNGTWXCU-RYUDHWBXSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])c1ccc2c(c1)ncn(CC(=O)N1CCNC1=O)c2=O ZINC001602410155 1017994290 /nfs/dbraw/zinc/99/42/90/1017994290.db2.gz CFJXDWDBYZTPHG-UHFFFAOYSA-N -1 0 316.273 -0.354 20 0 DBADRM O=C([O-])c1cccc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)n1 ZINC001602431913 1017996060 /nfs/dbraw/zinc/99/60/60/1017996060.db2.gz WGLWTBZNGTWXCU-VXGBXAGGSA-N -1 0 319.317 -0.101 20 0 DBADRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)NC[C@@H]1CNC(=O)C1 ZINC001602636433 1018028555 /nfs/dbraw/zinc/02/85/55/1018028555.db2.gz DYJKXHUBABTWNE-GUBZILKMSA-N -1 0 304.368 -0.315 20 0 DBADRM O=C([O-])c1ccc2c(c1)N(C(=O)CN1CCNCC1=O)CC2 ZINC001602424356 1017996808 /nfs/dbraw/zinc/99/68/08/1017996808.db2.gz VUTXERFHRBFZON-UHFFFAOYSA-N -1 0 303.318 -0.294 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)o1 ZINC001602395814 1017996884 /nfs/dbraw/zinc/99/68/84/1017996884.db2.gz VEEPKSKJJKSIFS-RNFRBKRXSA-N -1 0 301.276 -0.229 20 0 DBADRM O=C([O-])c1cccc(CN2CCS(=O)(=O)C[C@@H]2CCO)n1 ZINC001602436391 1017997644 /nfs/dbraw/zinc/99/76/44/1017997644.db2.gz AVULSUREPCGHRI-NSHDSACASA-N -1 0 314.363 -0.239 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2CCC(CO)(CO)C2)c1 ZINC001602451273 1018000339 /nfs/dbraw/zinc/00/03/39/1018000339.db2.gz DJZOTFHPGOXKOQ-UHFFFAOYSA-N -1 0 315.347 -0.250 20 0 DBADRM O=C([O-])c1ccnc(C(=O)N[C@H]2C(=O)NCC23CCOCC3)c1 ZINC001602479223 1018001828 /nfs/dbraw/zinc/00/18/28/1018001828.db2.gz NWVLCPICBLQIPQ-NSHDSACASA-N -1 0 319.317 -0.195 20 0 DBADRM O=C([O-])c1ccnc(S(=O)(=O)NC[C@@H](O)[C@H]2CCCO2)c1 ZINC001602484871 1018002961 /nfs/dbraw/zinc/00/29/61/1018002961.db2.gz RWEPRTQQYNBVRZ-NXEZZACHSA-N -1 0 316.335 -0.402 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)NCCN1CCNC1=S ZINC001602488740 1018002976 /nfs/dbraw/zinc/00/29/76/1018002976.db2.gz RZDDJBZEKCOLNL-UHFFFAOYSA-N -1 0 319.364 -0.554 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CCC[C@@H]2C(=O)NC2CC2)n1 ZINC001602477308 1018003370 /nfs/dbraw/zinc/00/33/70/1018003370.db2.gz MSHPZLPYDSQZNR-LLVKDONJSA-N -1 0 306.322 -0.149 20 0 DBADRM O=C([O-])c1ccnc(NC[C@]23COCCN2C(=O)COC3)n1 ZINC001602483510 1018003405 /nfs/dbraw/zinc/00/34/05/1018003405.db2.gz MLIZGYQBDIYNBJ-CYBMUJFWSA-N -1 0 308.294 -0.786 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N2CCN3C(=O)N=NC3C2)n1 ZINC001602477625 1018003688 /nfs/dbraw/zinc/00/36/88/1018003688.db2.gz FFXDTJCMGOEVHR-UHFFFAOYSA-N -1 0 320.309 -0.299 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N2CC[C@@H](CO)[C@@H](O)C2)n1 ZINC001602478492 1018003876 /nfs/dbraw/zinc/00/38/76/1018003876.db2.gz AAVFCGLQOFHOSZ-JQWIXIFHSA-N -1 0 311.338 -0.437 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)[C@@H]3CCNC3=O)C2)nn1 ZINC001602493933 1018004401 /nfs/dbraw/zinc/00/44/01/1018004401.db2.gz OFCWHSKMDNOPNE-RKDXNWHRSA-N -1 0 307.310 -0.724 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@@H]3CCc4cncn4C3)C2)nn1 ZINC001602501950 1018004913 /nfs/dbraw/zinc/00/49/13/1018004913.db2.gz JTPVNVZCOUWESH-SECBINFHSA-N -1 0 316.321 -0.181 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(S(=O)(=O)CCCF)C2)nn1 ZINC001602500758 1018004996 /nfs/dbraw/zinc/00/49/96/1018004996.db2.gz QBRXRHPVUYHEMH-MRVPVSSYSA-N -1 0 306.319 -0.088 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)NCCc3cn[nH]c3)C2)nn1 ZINC001602499292 1018006351 /nfs/dbraw/zinc/00/63/51/1018006351.db2.gz PCADWKJADSCBTI-SNVBAGLBSA-N -1 0 319.325 -0.102 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2C[C@@H](O)Cc3ccccc32)nn1 ZINC001602501856 1018006684 /nfs/dbraw/zinc/00/66/84/1018006684.db2.gz YEXKFUKKTYSJIN-JTQLQIEISA-N -1 0 302.290 -0.074 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3cnc4n3CCC4)C2)nn1 ZINC001602502429 1018007712 /nfs/dbraw/zinc/00/77/12/1018007712.db2.gz ZLYYTTWBSVHONN-UHFFFAOYSA-N -1 0 302.294 -0.184 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2cc3c(cc2O)OCO3)nn1 ZINC001602503438 1018008282 /nfs/dbraw/zinc/00/82/82/1018008282.db2.gz XCMQJDASGFFNBG-UHFFFAOYSA-N -1 0 320.261 -0.159 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCO[C@]3(CCCOC3)C2)nn1 ZINC001602504308 1018008383 /nfs/dbraw/zinc/00/83/83/1018008383.db2.gz PADYJMIUEMRUAT-CYBMUJFWSA-N -1 0 310.310 -0.616 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)[C@@H]2CCc3cncn3C2)nn1 ZINC001602503714 1018008613 /nfs/dbraw/zinc/00/86/13/1018008613.db2.gz RBMMYUXPZBGJAE-SECBINFHSA-N -1 0 304.310 -0.448 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2cc3c([nH]c2=O)CCC3)nn1 ZINC001602502837 1018008814 /nfs/dbraw/zinc/00/88/14/1018008814.db2.gz KTOAVBRKTHHTFQ-UHFFFAOYSA-N -1 0 317.305 -0.004 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)c2cnn3c2OCCC3)nn1 ZINC001602502560 1018008846 /nfs/dbraw/zinc/00/88/46/1018008846.db2.gz AUARYPOMOUUVRH-UHFFFAOYSA-N -1 0 306.282 -0.615 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)c3nc4ncccn4n3)C2)nn1 ZINC001602502253 1018008918 /nfs/dbraw/zinc/00/89/18/1018008918.db2.gz PPSGWDAWEDSTRE-UHFFFAOYSA-N -1 0 314.265 -0.889 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCN3CC(F)(F)C[C@H]3C2)nn1 ZINC001602504286 1018008955 /nfs/dbraw/zinc/00/89/55/1018008955.db2.gz OHLUPVYDJYGQEQ-QMMMGPOBSA-N -1 0 315.280 -0.472 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC001602507042 1018010031 /nfs/dbraw/zinc/01/00/31/1018010031.db2.gz JAHZVLIBMNPLCI-OCAPTIKFSA-N -1 0 303.340 -0.063 20 0 DBADRM O=C([O-])c1cn(CN2CCN(CC(F)(F)F)C(=O)C2)nn1 ZINC001602505317 1018010414 /nfs/dbraw/zinc/01/04/14/1018010414.db2.gz LHGSEEDRXFCROS-UHFFFAOYSA-N -1 0 307.232 -0.360 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCCNC(=O)c2ccco2)cn1 ZINC001602508235 1018010783 /nfs/dbraw/zinc/01/07/83/1018010783.db2.gz PCKSAOUPSOLDLP-UHFFFAOYSA-N -1 0 304.262 -0.072 20 0 DBADRM O=C([O-])c1cnc(CNC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)s1 ZINC001602523313 1018011859 /nfs/dbraw/zinc/01/18/59/1018011859.db2.gz XLBGFILVQXTMSP-OLQVQODUSA-N -1 0 324.318 -0.745 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)[C@H]2CC23CC3)nc1 ZINC001602529585 1018012494 /nfs/dbraw/zinc/01/24/94/1018012494.db2.gz GOWCJLKBPZRZQV-NXEZZACHSA-N -1 0 306.322 -0.136 20 0 DBADRM O=C([O-])c1cnc(NC[C@@]23COCCN2C(=O)COC3)nc1 ZINC001602530431 1018012381 /nfs/dbraw/zinc/01/23/81/1018012381.db2.gz OLTBGRBHRTYZLI-ZDUSSCGKSA-N -1 0 308.294 -0.786 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)[C@@H]2CC23CC3)nc1 ZINC001602529070 1018012905 /nfs/dbraw/zinc/01/29/05/1018012905.db2.gz BIFQFLRFUILZGY-ZJUUUORDSA-N -1 0 306.322 -0.136 20 0 DBADRM O=C([O-])c1cnc(N2CCC(NC(=O)c3cnon3)CC2)nc1 ZINC001602525872 1018012935 /nfs/dbraw/zinc/01/29/35/1018012935.db2.gz PMFZOSFWUMWPDN-UHFFFAOYSA-N -1 0 318.293 -0.043 20 0 DBADRM O=C([O-])c1cnc(N[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)nc1 ZINC001602529657 1018013099 /nfs/dbraw/zinc/01/30/99/1018013099.db2.gz BXKBEFWNFVSCBU-NXEZZACHSA-N -1 0 319.321 -0.676 20 0 DBADRM O=C([O-])c1cnc(NC[C@H](O)CNC(=O)c2cccnc2)nc1 ZINC001602529737 1018013505 /nfs/dbraw/zinc/01/35/05/1018013505.db2.gz IJAPEEKMFWMYRT-LLVKDONJSA-N -1 0 317.305 -0.227 20 0 DBADRM O=C([O-])c1cnc(NCC2CC(NC(=O)c3cn[nH]n3)C2)nc1 ZINC001602529382 1018013990 /nfs/dbraw/zinc/01/39/90/1018013990.db2.gz GIVRHWINNJAMSN-UHFFFAOYSA-N -1 0 317.309 -0.087 20 0 DBADRM O=C([O-])c1cnc(NC[C@]23COCCN2C(=O)COC3)nc1 ZINC001602530430 1018014133 /nfs/dbraw/zinc/01/41/33/1018014133.db2.gz OLTBGRBHRTYZLI-CYBMUJFWSA-N -1 0 308.294 -0.786 20 0 DBADRM O=C([O-])c1cnc(N2CCN(C(=O)[C@@]3(F)CCOC3)CC2)nc1 ZINC001602527406 1018014149 /nfs/dbraw/zinc/01/41/49/1018014149.db2.gz USYUIZIAFHMFIH-CQSZACIVSA-N -1 0 324.312 -0.048 20 0 DBADRM O=C([O-])c1cnc(NCCN2CCS(=O)(=O)CC2)nc1 ZINC001602531759 1018014196 /nfs/dbraw/zinc/01/41/96/1018014196.db2.gz DMPDCORFNDRCER-UHFFFAOYSA-N -1 0 300.340 -0.683 20 0 DBADRM O=C([O-])c1cnc(N[C@@H](CO)CNC(=O)c2cccnc2)nc1 ZINC001602530380 1018014424 /nfs/dbraw/zinc/01/44/24/1018014424.db2.gz QVTLGZMPQDWHER-LLVKDONJSA-N -1 0 317.305 -0.227 20 0 DBADRM O=C([O-])c1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]n2)nc1 ZINC001602528746 1018014605 /nfs/dbraw/zinc/01/46/05/1018014605.db2.gz XFWJHTUFHOJUOG-MBTKJCJQSA-N -1 0 315.293 -0.843 20 0 DBADRM O=C([O-])c1cnc(N[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)nc1 ZINC001602529660 1018014675 /nfs/dbraw/zinc/01/46/75/1018014675.db2.gz BXKBEFWNFVSCBU-UWVGGRQHSA-N -1 0 319.321 -0.676 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)c1 ZINC001602542290 1018015515 /nfs/dbraw/zinc/01/55/15/1018015515.db2.gz SDYYHSKKMFRINT-UWVGGRQHSA-N -1 0 316.335 -0.999 20 0 DBADRM O=C([O-])c1cnoc1CN1CCN(C(=O)N2CCOCC2)CC1 ZINC001602547313 1018015531 /nfs/dbraw/zinc/01/55/31/1018015531.db2.gz IKXSJFOXXLSFRL-UHFFFAOYSA-N -1 0 324.337 -0.057 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCc3nc[nH]c(=O)c3C2)c1 ZINC001602545832 1018015568 /nfs/dbraw/zinc/01/55/68/1018015568.db2.gz WSGMCOWEGDWODE-UHFFFAOYSA-N -1 0 303.278 -0.338 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CC[C@@H](N3CCOC3=O)C2)c1 ZINC001602544864 1018015634 /nfs/dbraw/zinc/01/56/34/1018015634.db2.gz ZOVCOXYYHKQOIJ-SNVBAGLBSA-N -1 0 308.294 -0.366 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCC[C@H]2CN2CCOCC2)c1 ZINC001602545864 1018015689 /nfs/dbraw/zinc/01/56/89/1018015689.db2.gz XXNQWHCDMGSQRO-ZDUSSCGKSA-N -1 0 322.365 -0.096 20 0 DBADRM O=C([O-])c1cncc(C(=O)NCCC(=O)N2CCOCC2)c1 ZINC001602535835 1018015897 /nfs/dbraw/zinc/01/58/97/1018015897.db2.gz OXHPJSJFDGOLBO-UHFFFAOYSA-N -1 0 307.306 -0.242 20 0 DBADRM O=C([O-])c1cnc(NC[C@H]2C[C@H](NC(=O)c3nnc[nH]3)C2)nc1 ZINC001602533836 1018015962 /nfs/dbraw/zinc/01/59/62/1018015962.db2.gz OYAJCTWUNSBTCS-XWEPSHTISA-N -1 0 317.309 -0.087 20 0 DBADRM O=C([O-])c1cnc(NCCN(CCO)C(=O)[C@H]2CCOC2)nc1 ZINC001602532445 1018016119 /nfs/dbraw/zinc/01/61/19/1018016119.db2.gz TWRNZWVKGQZWIU-JTQLQIEISA-N -1 0 324.337 -0.556 20 0 DBADRM O=C([O-])c1coc(CNC(=O)[C@@H]2CCCCS2(=O)=O)n1 ZINC001602553501 1018017478 /nfs/dbraw/zinc/01/74/78/1018017478.db2.gz UCSVEJOTANXDEG-QMMMGPOBSA-N -1 0 302.308 -0.044 20 0 DBADRM O=C([O-])c1nc(C(=O)N(CCO)CCOCCO)cs1 ZINC001602568090 1018017623 /nfs/dbraw/zinc/01/76/23/1018017623.db2.gz WOHMQTDORIENOD-UHFFFAOYSA-N -1 0 304.324 -0.715 20 0 DBADRM O=C([O-])c1nc[nH]c1NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001602570670 1018018179 /nfs/dbraw/zinc/01/81/79/1018018179.db2.gz IRTCKUAAOHYEJY-IXAVYGABSA-N -1 0 307.262 -0.233 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)n1 ZINC001602572651 1018018526 /nfs/dbraw/zinc/01/85/26/1018018526.db2.gz VYVJFGRXXZLWMZ-BDAKNGLRSA-N -1 0 319.321 -0.994 20 0 DBADRM O=C([O-])c1nccc(N2CCS(=O)(=O)C[C@@H]2CCO)n1 ZINC001602573238 1018019098 /nfs/dbraw/zinc/01/90/98/1018019098.db2.gz IDPNQXYGLVLUTR-QMMMGPOBSA-N -1 0 301.324 -0.839 20 0 DBADRM O=C([O-])c1nccc(N2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)n1 ZINC001602571967 1018019497 /nfs/dbraw/zinc/01/94/97/1018019497.db2.gz NPRNFMXWERNRCV-BONVTDFDSA-N -1 0 318.333 -0.140 20 0 DBADRM O=C([O-])c1nccc(NC[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)n1 ZINC001602573737 1018020518 /nfs/dbraw/zinc/02/05/18/1018020518.db2.gz UAFAOOLIMYWKGJ-QMMMGPOBSA-N -1 0 317.309 -0.711 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@@H](NC(=O)[C@H]3COCCO3)C2)n1 ZINC001602578511 1018021382 /nfs/dbraw/zinc/02/13/82/1018021382.db2.gz UJAGQIHMOPHSGL-KXUCPTDWSA-N -1 0 322.321 -0.929 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001602584722 1018022154 /nfs/dbraw/zinc/02/21/54/1018022154.db2.gz JEMMYMNDAFVAON-RKDXNWHRSA-N -1 0 314.294 -0.909 20 0 DBADRM O=C([O-])c1sccc1C(=O)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001602594489 1018022270 /nfs/dbraw/zinc/02/22/70/1018022270.db2.gz DSDBAUACOOGKLA-SSDOTTSWSA-N -1 0 310.331 -0.231 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@H](NC(=O)[C@H]3COCCO3)C2)n1 ZINC001602578512 1018022743 /nfs/dbraw/zinc/02/27/43/1018022743.db2.gz UJAGQIHMOPHSGL-OPRDCNLKSA-N -1 0 322.321 -0.929 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001602627926 1018024345 /nfs/dbraw/zinc/02/43/45/1018024345.db2.gz RGYSCMNBQVXGQN-VIFPVBQESA-N -1 0 308.216 -0.542 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2ccc3[nH]c(CO)nc3c2)C1 ZINC001602625370 1018024939 /nfs/dbraw/zinc/02/49/39/1018024939.db2.gz DSCVGHTXAAGEGH-AWEZNQCLSA-N -1 0 305.290 -0.283 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001602623737 1018025666 /nfs/dbraw/zinc/02/56/66/1018025666.db2.gz DJFPEFXCXZTNPR-AWEZNQCLSA-N -1 0 302.290 -0.071 20 0 DBADRM O=C([O-])[C@@]1(N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)CCOC1 ZINC001602622425 1018025752 /nfs/dbraw/zinc/02/57/52/1018025752.db2.gz ZYTREUHKTSJUQJ-NFFDBFGFSA-N -1 0 324.377 -0.058 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)c3ccc4nnnn4c3)C[C@H]1COCC2 ZINC001602625905 1018026337 /nfs/dbraw/zinc/02/63/37/1018026337.db2.gz FZXCIYQJQMEWRT-IINYFYTJSA-N -1 0 317.305 -0.312 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001602624474 1018026366 /nfs/dbraw/zinc/02/63/66/1018026366.db2.gz VGTNNVNULREPQI-AWEZNQCLSA-N -1 0 302.290 -0.071 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC001602621779 1018026493 /nfs/dbraw/zinc/02/64/93/1018026493.db2.gz CMCDJRSUXGRWSK-UHFFFAOYSA-N -1 0 317.095 -0.179 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)NCC[C@H]2CNC(=O)C2)c1 ZINC001602632944 1018027163 /nfs/dbraw/zinc/02/71/63/1018027163.db2.gz ABBWCVSEVMEWLQ-SSDOTTSWSA-N -1 0 302.308 -0.218 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)NC[C@@H]3CNC(=O)C3)C2)nn1 ZINC001602636475 1018028108 /nfs/dbraw/zinc/02/81/08/1018028108.db2.gz GFXOXMHMAATEPT-DTWKUNHWSA-N -1 0 322.325 -0.931 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC001602635845 1018028570 /nfs/dbraw/zinc/02/85/70/1018028570.db2.gz MNVISXNZCGFZQD-MRTMQBJTSA-N -1 0 302.352 -0.468 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2CNC(=O)C3)on1 ZINC001602639364 1018029250 /nfs/dbraw/zinc/02/92/50/1018029250.db2.gz HNNOPVWICXVIBY-RQJHMYQMSA-N -1 0 315.307 -0.586 20 0 DBADRM O=C([O-])C1([C@]2(O)CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)CCC1 ZINC001602641824 1018029288 /nfs/dbraw/zinc/02/92/88/1018029288.db2.gz GOMWSYKFNMHMIG-BONVTDFDSA-N -1 0 310.350 -0.127 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)C[C@H]3CCCC(=O)N3)C2)nn1 ZINC001602642386 1018029767 /nfs/dbraw/zinc/02/97/67/1018029767.db2.gz DPNFGCMQXVQMMN-MRVPVSSYSA-N -1 0 307.310 -0.582 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)C1 ZINC001602643228 1018030032 /nfs/dbraw/zinc/03/00/32/1018030032.db2.gz RTTFQMAFVBGMCU-HNNXBMFYSA-N -1 0 318.329 -0.508 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)N[C@@H]1CCNC(=O)CC1 ZINC001602638697 1018030120 /nfs/dbraw/zinc/03/01/20/1018030120.db2.gz JIGUJDQBGHQNTF-LURJTMIESA-N -1 0 319.364 -0.212 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC[C@H](N3CCCC3=O)C2)CC1 ZINC001602644180 1018030687 /nfs/dbraw/zinc/03/06/87/1018030687.db2.gz TVZZHQODDCLOHI-JTQLQIEISA-N -1 0 316.379 -0.122 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)nn1 ZINC001602640737 1018030856 /nfs/dbraw/zinc/03/08/56/1018030856.db2.gz UDROAEJQBHDMBG-DTWKUNHWSA-N -1 0 307.310 -0.582 20 0 DBADRM O=C([O-])c1c[nH]c(=O)c(NC(=O)CN2CCC(=O)NC2=O)c1 ZINC001602647259 1018031153 /nfs/dbraw/zinc/03/11/53/1018031153.db2.gz ZKIAEPPRARGYNS-UHFFFAOYSA-N -1 0 308.250 -0.634 20 0 DBADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CN1CCNC(=O)C1)C2 ZINC001602649399 1018031672 /nfs/dbraw/zinc/03/16/72/1018031672.db2.gz QNBFEGJMSXHPHO-UHFFFAOYSA-N -1 0 303.318 -0.341 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)NCCN3CCNC(=O)C3)[C@@H]2C1 ZINC001602650339 1018031817 /nfs/dbraw/zinc/03/18/17/1018031817.db2.gz KMVSUCRNCKCIEL-KKOKHZNYSA-N -1 0 324.381 -0.783 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]2CCC[C@H]21 ZINC001602649224 1018032354 /nfs/dbraw/zinc/03/23/54/1018032354.db2.gz OYEWPXBAMCGTIZ-LPEHRKFASA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCNC(=O)C1 ZINC001602648719 1018032484 /nfs/dbraw/zinc/03/24/84/1018032484.db2.gz IBDYBGVASWCNSX-QMMMGPOBSA-N -1 0 307.310 -0.442 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)N[C@@H]3COC(=O)C3)C2)nn1 ZINC001602653506 1018033356 /nfs/dbraw/zinc/03/33/56/1018033356.db2.gz SHESMFHDGFWAQZ-IUCAKERBSA-N -1 0 323.309 -0.362 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CC(=O)N(CC3CC3)C2)C1 ZINC001602651009 1018033629 /nfs/dbraw/zinc/03/36/29/1018033629.db2.gz WHLAUHWAXXSEAZ-AOOOYVTPSA-N -1 0 302.352 -0.309 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cnc2c(c1)NC(=O)CS2 ZINC001602653744 1018033662 /nfs/dbraw/zinc/03/36/62/1018033662.db2.gz USSPWKGNLOREIH-APPZFPTMSA-N -1 0 323.330 -0.214 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001602652617 1018034428 /nfs/dbraw/zinc/03/44/28/1018034428.db2.gz BXRRXUCZEHJKDH-VXNVDRBHSA-N -1 0 307.262 -0.928 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)N[C@@H]3COC(=O)C3)CC2)nn1 ZINC001602653790 1018034510 /nfs/dbraw/zinc/03/45/10/1018034510.db2.gz WYSPCEITZZUISB-QMMMGPOBSA-N -1 0 323.309 -0.362 20 0 DBADRM O=C([O-])c1nc(C(=O)NCCCN2CCNC(=O)C2)cs1 ZINC001602650417 1018035105 /nfs/dbraw/zinc/03/51/05/1018035105.db2.gz OBWRZYVSNJVIJU-UHFFFAOYSA-N -1 0 312.351 -0.607 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC(=O)N(CC3CC3)C2)CC1 ZINC001602650972 1018035178 /nfs/dbraw/zinc/03/51/78/1018035178.db2.gz UJHVIIVNWWSMAS-UHFFFAOYSA-N -1 0 302.352 -0.307 20 0 DBADRM CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)C(C)(C)F ZINC001499235573 1018036120 /nfs/dbraw/zinc/03/61/20/1018036120.db2.gz FZMZEUMZGOBYEQ-ZCFIWIBFSA-N -1 0 315.305 -0.345 20 0 DBADRM O=C([O-])C12CC(C(=O)N3CCC4(CC3)NC(=O)NC4=O)(C1)C2 ZINC001602656101 1018036286 /nfs/dbraw/zinc/03/62/86/1018036286.db2.gz KPADGNGUCZTETN-UHFFFAOYSA-N -1 0 307.306 -0.558 20 0 DBADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001602655552 1018036321 /nfs/dbraw/zinc/03/63/21/1018036321.db2.gz DPGYSEFFEIDZBE-VIFPVBQESA-N -1 0 303.274 -0.128 20 0 DBADRM O=C([O-])c1coc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC001602655455 1018036355 /nfs/dbraw/zinc/03/63/55/1018036355.db2.gz PYXDXWQBRPUZPX-CYBMUJFWSA-N -1 0 307.262 -0.208 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCC3(COC(=O)N3)CC2)c1 ZINC001602656184 1018036681 /nfs/dbraw/zinc/03/66/81/1018036681.db2.gz OVKRNHWIOFQOKH-UHFFFAOYSA-N -1 0 308.294 -0.318 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cn1 ZINC001602656701 1018037333 /nfs/dbraw/zinc/03/73/33/1018037333.db2.gz SKMUZFGDZWCOMF-UHFFFAOYSA-N -1 0 318.289 -0.406 20 0 DBADRM O=C([O-])[C@@]1([NH+]2CCN(CC[C@H]3CCNC3=O)CC2)CCOC1 ZINC001602657584 1018038011 /nfs/dbraw/zinc/03/80/11/1018038011.db2.gz BCPXFOJCSQSAHO-IUODEOHRSA-N -1 0 311.382 -0.626 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)N[C@H]2CCc3ccccc3NC2=O)C1 ZINC001602661044 1018038838 /nfs/dbraw/zinc/03/88/38/1018038838.db2.gz NFECUBBXKWTVKL-NSHDSACASA-N -1 0 319.317 -0.219 20 0 DBADRM O=C([O-])C1(O)CN(S(=O)(=O)c2cccc3c2COC3=O)C1 ZINC001602662769 1018038856 /nfs/dbraw/zinc/03/88/56/1018038856.db2.gz CGPVZNNTEKEMOD-UHFFFAOYSA-N -1 0 313.287 -0.823 20 0 DBADRM O=C([O-])c1cc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cs1 ZINC001602659460 1018039205 /nfs/dbraw/zinc/03/92/05/1018039205.db2.gz QSCKQVLJSAITHP-VIFPVBQESA-N -1 0 309.347 -0.411 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001602660234 1018039429 /nfs/dbraw/zinc/03/94/29/1018039429.db2.gz XYQPKAPTBYUMQM-IJLUTSLNSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCC3(CNC(=O)O3)CC2)CC1 ZINC001602658419 1018039499 /nfs/dbraw/zinc/03/94/99/1018039499.db2.gz LPUQSLBUJOBOEF-UHFFFAOYSA-N -1 0 318.351 -0.245 20 0 DBADRM O=Cc1ccc(OCC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])cc1 ZINC001602667085 1018041503 /nfs/dbraw/zinc/04/15/03/1018041503.db2.gz SPQIWHSCLSNVQH-LBPRGKRZSA-N -1 0 318.289 -0.261 20 0 DBADRM CC(=O)NC[C@@H]1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001602752394 1018056875 /nfs/dbraw/zinc/05/68/75/1018056875.db2.gz BIGNNXWFYAJRSZ-JTQLQIEISA-N -1 0 309.326 -0.649 20 0 DBADRM CC(=O)NCCN(C(=O)/C=C/Cn1cncn1)[C@@H](C)C(=O)[O-] ZINC001602753905 1018059436 /nfs/dbraw/zinc/05/94/36/1018059436.db2.gz VKGVCOLBLSJGMQ-FSIBCCDJSA-N -1 0 309.326 -0.728 20 0 DBADRM CC(=O)NCCN(C(=O)COc1ccsn1)[C@H](C)C(=O)[O-] ZINC001602755707 1018060513 /nfs/dbraw/zinc/06/05/13/1018060513.db2.gz JOBUZUIUOKFCJZ-MRVPVSSYSA-N -1 0 315.351 -0.040 20 0 DBADRM CC(=O)N[C@H](C(=O)OCc1cn(CC(=O)[O-])nn1)C(C)(C)C ZINC001602760407 1018060983 /nfs/dbraw/zinc/06/09/83/1018060983.db2.gz IQUNFQPBPCCYLL-LLVKDONJSA-N -1 0 312.326 -0.043 20 0 DBADRM CC(=O)NCCN(CC(=O)Nc1ccncc1)[C@H](C)C(=O)[O-] ZINC001602757406 1018061051 /nfs/dbraw/zinc/06/10/51/1018061051.db2.gz GFDMIRXBZUSRLM-SNVBAGLBSA-N -1 0 308.338 -0.647 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1cnccn1)[C@@H](C)C(=O)[O-] ZINC001602755941 1018061379 /nfs/dbraw/zinc/06/13/79/1018061379.db2.gz YEQREFLYEDPORY-JTQLQIEISA-N -1 0 308.338 -0.153 20 0 DBADRM C[C@H](C(=O)N(C)CC(=O)Nc1n[nH]cc1C(=O)[O-])n1cccn1 ZINC001602786022 1018063807 /nfs/dbraw/zinc/06/38/07/1018063807.db2.gz BXFAWMATJLMRMV-MRVPVSSYSA-N -1 0 320.309 -0.038 20 0 DBADRM C=C/C=C\CC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001602807324 1018066132 /nfs/dbraw/zinc/06/61/32/1018066132.db2.gz JIOVDLWUTYKWQZ-ARJAWSKDSA-N -1 0 317.309 -0.623 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC001602805417 1018066259 /nfs/dbraw/zinc/06/62/59/1018066259.db2.gz UMPKQWZUCOGLDC-LLVKDONJSA-N -1 0 300.355 -0.295 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC001602853131 1018068812 /nfs/dbraw/zinc/06/88/12/1018068812.db2.gz YZAISLIDQRYLQJ-VIFPVBQESA-N -1 0 321.395 -0.211 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@@H]2CC[C@H](C(N)=O)O2)cn1 ZINC001602838372 1018069138 /nfs/dbraw/zinc/06/91/38/1018069138.db2.gz QVASJVMNYICZHZ-BDAKNGLRSA-N -1 0 310.310 -0.326 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001602847889 1018069232 /nfs/dbraw/zinc/06/92/32/1018069232.db2.gz ZOBXZRWKHJMBLO-IAQYHMDHSA-N -1 0 314.382 -0.361 20 0 DBADRM C[C@@H](C(=O)[O-])c1noc(CNS(=O)(=O)c2cnn(C)c2)n1 ZINC001602830339 1018070265 /nfs/dbraw/zinc/07/02/65/1018070265.db2.gz NEOFAQXKZYRZAP-ZCFIWIBFSA-N -1 0 315.311 -0.530 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)Oc1cccc(C(=O)NCC(N)=O)c1 ZINC001602838601 1018070529 /nfs/dbraw/zinc/07/05/29/1018070529.db2.gz VPNOZSNRQRWALM-UHFFFAOYSA-N -1 0 308.290 -0.082 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCCCCO)n1 ZINC001602837888 1018070560 /nfs/dbraw/zinc/07/05/60/1018070560.db2.gz FSUKGWHJFJYOGD-UHFFFAOYSA-N -1 0 312.326 -0.470 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001602838416 1018070815 /nfs/dbraw/zinc/07/08/15/1018070815.db2.gz SFKOKSMSOKVSMA-SSDOTTSWSA-N -1 0 316.339 -0.667 20 0 DBADRM CC(C)(C)OC(=O)C1(NCC(=O)NCC(=O)[O-])CCOCC1 ZINC001602874451 1018071912 /nfs/dbraw/zinc/07/19/12/1018071912.db2.gz OPLDKGWPYKEEET-UHFFFAOYSA-N -1 0 316.354 -0.332 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)CCC(=O)[O-])C1 ZINC001602895077 1018073004 /nfs/dbraw/zinc/07/30/04/1018073004.db2.gz PTPWCANLSRJCPX-RKDXNWHRSA-N -1 0 302.327 -0.052 20 0 DBADRM CC(C)(CCO)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001602944250 1018080569 /nfs/dbraw/zinc/08/05/69/1018080569.db2.gz MWMJUNWRVILSQO-UHFFFAOYSA-N -1 0 321.395 -0.209 20 0 DBADRM CC(C)(CCNC(=O)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-] ZINC001602938465 1018080979 /nfs/dbraw/zinc/08/09/79/1018080979.db2.gz GKSBZXNBOUJBEE-XXFSISAASA-N -1 0 310.350 -0.105 20 0 DBADRM CC(C)(CCNC(=O)NC[C@@]1(O)CCS(=O)(=O)C1)C(=O)[O-] ZINC001602940681 1018083032 /nfs/dbraw/zinc/08/30/32/1018083032.db2.gz QBUPMLFUSAMJHY-LBPRGKRZSA-N -1 0 322.383 -0.664 20 0 DBADRM CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C12CCC2 ZINC001602939115 1018083252 /nfs/dbraw/zinc/08/32/52/1018083252.db2.gz DZIKCJFUDPCBOE-UWVGGRQHSA-N -1 0 314.353 -0.062 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001602964548 1018085171 /nfs/dbraw/zinc/08/51/71/1018085171.db2.gz FESPVHWPTJBZFO-UTLUCORTSA-N -1 0 306.384 -0.274 20 0 DBADRM CC(C)(CO)CCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001602948451 1018085189 /nfs/dbraw/zinc/08/51/89/1018085189.db2.gz FKWUYRRITQYZTE-SNVBAGLBSA-N -1 0 316.354 -0.787 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(c2c[nH]c(=O)nc2N)CC1 ZINC001602964231 1018085935 /nfs/dbraw/zinc/08/59/35/1018085935.db2.gz COPSAYHPDMHTEQ-JTQLQIEISA-N -1 0 323.353 -0.230 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001602964225 1018086496 /nfs/dbraw/zinc/08/64/96/1018086496.db2.gz CBXUKVADOAGGDQ-GWCFXTLKSA-N -1 0 319.379 -0.241 20 0 DBADRM C/C(=C/CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC001602963527 1018086572 /nfs/dbraw/zinc/08/65/72/1018086572.db2.gz FQPSHZBOTJICMC-WEHQGULRSA-N -1 0 307.306 -0.756 20 0 DBADRM CC(=O)[C@H]1CCCCN1C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001602958322 1018086900 /nfs/dbraw/zinc/08/69/00/1018086900.db2.gz RIWJAYLCBQISFW-WCBMZHEXSA-N -1 0 318.341 -0.011 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001602960459 1018087190 /nfs/dbraw/zinc/08/71/90/1018087190.db2.gz DTZQEYOGEOAEJI-VHSXEESVSA-N -1 0 306.384 -0.259 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001602960453 1018087253 /nfs/dbraw/zinc/08/72/53/1018087253.db2.gz DTZQEYOGEOAEJI-NXEZZACHSA-N -1 0 306.384 -0.259 20 0 DBADRM CC(C)(CS(C)(=O)=O)NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001602948935 1018087393 /nfs/dbraw/zinc/08/73/93/1018087393.db2.gz TXKNHPQMTWUXSD-UHFFFAOYSA-N -1 0 318.355 -0.088 20 0 DBADRM C/C(=C/C(=O)[O-])CN(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001602954186 1018087461 /nfs/dbraw/zinc/08/74/61/1018087461.db2.gz CRDOHCUWMBNPLU-BSKOKIOFSA-N -1 0 304.368 -0.748 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)OCC(=O)N1CCC(C(N)=O)CC1 ZINC001602970878 1018089813 /nfs/dbraw/zinc/08/98/13/1018089813.db2.gz XKTOWNCHRNUUOL-LLVKDONJSA-N -1 0 314.338 -0.390 20 0 DBADRM C[C@@H](C(=O)N1CCCCC[C@@H]1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001602998687 1018092318 /nfs/dbraw/zinc/09/23/18/1018092318.db2.gz VRZIHQYHZHJZEV-VHSXEESVSA-N -1 0 320.357 -0.217 20 0 DBADRM C[C@H](C(=O)N1CC(n2ccnc2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001602990601 1018093953 /nfs/dbraw/zinc/09/39/53/1018093953.db2.gz KXRVRWCMJDNMGA-MRVPVSSYSA-N -1 0 314.313 -0.701 20 0 DBADRM C[C@@H](C(=O)N1CCCCC[C@H]1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001602998686 1018095041 /nfs/dbraw/zinc/09/50/41/1018095041.db2.gz VRZIHQYHZHJZEV-UWVGGRQHSA-N -1 0 320.357 -0.217 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCC[C@@H]1CCO)n1cnc(-c2nnn[n-]2)n1 ZINC001603007359 1018095822 /nfs/dbraw/zinc/09/58/22/1018095822.db2.gz BOXSEYOXVYNHOL-BBBLOLIVSA-N -1 0 320.357 -0.314 20 0 DBADRM CC(=O)N1CC[C@@](C)(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001603016463 1018096397 /nfs/dbraw/zinc/09/63/97/1018096397.db2.gz LFMLSAFAUWXOPO-IUODEOHRSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)N[C@H](Cn2cncn2)C(=O)[O-])C1 ZINC001603019174 1018096544 /nfs/dbraw/zinc/09/65/44/1018096544.db2.gz TTWHORHZTIMJQR-GHMZBOCLSA-N -1 0 309.326 -0.894 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCCC[C@H]1O)n1cnc(-c2nnn[n-]2)n1 ZINC001603017774 1018097000 /nfs/dbraw/zinc/09/70/00/1018097000.db2.gz ZGHCPNRPSLSXRM-KXUCPTDWSA-N -1 0 320.357 -0.314 20 0 DBADRM CC(=O)N1CCC(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CC1 ZINC001603014216 1018097453 /nfs/dbraw/zinc/09/74/53/1018097453.db2.gz YXKBNATTZACWAG-CYBMUJFWSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H](C(=O)NC[C@@]1(O)CCSC1)n1cnc(-c2nnn[n-]2)n1 ZINC001603013728 1018097999 /nfs/dbraw/zinc/09/79/99/1018097999.db2.gz YEEKZCCTRLUJMO-CPCISQLKSA-N -1 0 324.370 -0.997 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCCC1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001603013281 1018098296 /nfs/dbraw/zinc/09/82/96/1018098296.db2.gz SUDIIPOEBAVYFF-HTQZYQBOSA-N -1 0 304.314 -0.495 20 0 DBADRM C[C@H](C(=O)NCCc1ccco1)n1cnc(-c2nnn[n-]2)n1 ZINC001603015716 1018099187 /nfs/dbraw/zinc/09/91/87/1018099187.db2.gz BESIHXUGFJLWSN-MRVPVSSYSA-N -1 0 302.298 -0.029 20 0 DBADRM CC(C)C[C@H](CO)N(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001603018112 1018100965 /nfs/dbraw/zinc/10/09/65/1018100965.db2.gz MEZIFXWMKBBHJG-GHMZBOCLSA-N -1 0 300.355 -0.215 20 0 DBADRM C[C@H](C(=O)NC1=CC=NCC1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001603029571 1018101995 /nfs/dbraw/zinc/10/19/95/1018101995.db2.gz APZAPHFWQJGDJL-ZCFIWIBFSA-N -1 0 301.270 -0.820 20 0 DBADRM C[C@H](C(=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001603022353 1018102351 /nfs/dbraw/zinc/10/23/51/1018102351.db2.gz MZPREZFGHMFBJX-KYXWUPHJSA-N -1 0 318.341 -0.297 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1C[C@H]1[C@H]1CCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001603022354 1018102784 /nfs/dbraw/zinc/10/27/84/1018102784.db2.gz MZPREZFGHMFBJX-SGIHWFKDSA-N -1 0 318.341 -0.297 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001603020355 1018105223 /nfs/dbraw/zinc/10/52/23/1018105223.db2.gz ICKBYCBBRIGOJF-RISCZKNCSA-N -1 0 309.322 -0.171 20 0 DBADRM C[C@@H](C(=O)OC[C@]1(C)CCNC1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001603032351 1018108275 /nfs/dbraw/zinc/10/82/75/1018108275.db2.gz PWSCHXBAOOSIHW-MADCSZMMSA-N -1 0 320.313 -0.911 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001603035956 1018109684 /nfs/dbraw/zinc/10/96/84/1018109684.db2.gz XYTGHVHURQNDRI-SCZZXKLOSA-N -1 0 309.326 -0.336 20 0 DBADRM CC(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001603042909 1018109750 /nfs/dbraw/zinc/10/97/50/1018109750.db2.gz QJPIXGBCGBRUFS-HTQZYQBOSA-N -1 0 309.326 -0.962 20 0 DBADRM C[C@@H](C(=O)OCC[C@H]1CCNC1=O)n1cnc(-c2nnn[n-]2)n1 ZINC001603033318 1018110000 /nfs/dbraw/zinc/11/00/00/1018110000.db2.gz XAPYNWCSQVTOLZ-JGVFFNPUSA-N -1 0 320.313 -0.911 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)OCc1cc(C)c(C(=O)[O-])o1 ZINC001603042978 1018111256 /nfs/dbraw/zinc/11/12/56/1018111256.db2.gz VEEDCBZMSWXKOM-UHFFFAOYSA-N -1 0 312.278 -0.418 20 0 DBADRM CC(C)C[C@@H](NS(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)[O-] ZINC001603037703 1018111423 /nfs/dbraw/zinc/11/14/23/1018111423.db2.gz DXTYMPSEYYNGAO-CVJBHZAOSA-N -1 0 315.417 -0.106 20 0 DBADRM C[C@@H](C(=O)OCCc1cn[nH]c1)n1cnc(-c2nnn[n-]2)n1 ZINC001603036002 1018111688 /nfs/dbraw/zinc/11/16/88/1018111688.db2.gz ACOFGYIIBCNNLQ-ZETCQYMHSA-N -1 0 303.286 -0.472 20 0 DBADRM CC(=O)N[C@@H](C[S@](=O)Cc1nnc(C(C)C)[nH]1)C(=O)[O-] ZINC001603055693 1018112757 /nfs/dbraw/zinc/11/27/57/1018112757.db2.gz WPYDIRMGSNMMOG-FHZGZLOMSA-N -1 0 302.356 -0.234 20 0 DBADRM CC(=O)NCC[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001603045046 1018114355 /nfs/dbraw/zinc/11/43/55/1018114355.db2.gz OKMJLNOVORIXNQ-NSHDSACASA-N -1 0 323.353 -0.259 20 0 DBADRM CC(=O)NC[C@H]1CN(C(=O)NC2CC(CC(=O)[O-])C2)CCO1 ZINC001603044279 1018115600 /nfs/dbraw/zinc/11/56/00/1018115600.db2.gz DERCJNJEEZDHPH-MCIGGMRASA-N -1 0 313.354 -0.214 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)OCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001603052317 1018115623 /nfs/dbraw/zinc/11/56/23/1018115623.db2.gz HAVNPQKCDFCAOX-ZETCQYMHSA-N -1 0 309.278 -0.214 20 0 DBADRM CC(C)N1C(=O)CC[C@H]1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001603068279 1018115816 /nfs/dbraw/zinc/11/58/16/1018115816.db2.gz FMKMKVHMVYAUIZ-VHSXEESVSA-N -1 0 312.322 -0.386 20 0 DBADRM CC(C)O[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001603080556 1018116945 /nfs/dbraw/zinc/11/69/45/1018116945.db2.gz AEDCOBPCMWDZTQ-SNVBAGLBSA-N -1 0 324.337 -0.068 20 0 DBADRM CC(C)[C@H](NC(=O)c1ccnc(S(C)(=O)=O)n1)C(=O)[O-] ZINC001603096531 1018117853 /nfs/dbraw/zinc/11/78/53/1018117853.db2.gz RVBFRDJLXAEYJN-QMMMGPOBSA-N -1 0 301.324 -0.281 20 0 DBADRM CC(C)(C)CCNC(=O)Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001603075057 1018118022 /nfs/dbraw/zinc/11/80/22/1018118022.db2.gz VZLBFRLVIAAYIO-UHFFFAOYSA-N -1 0 321.341 -0.319 20 0 DBADRM CC(C)(C)n1nnnc1Cn1cc(-c2nnn[n-]2)ccc1=O ZINC001603135076 1018121192 /nfs/dbraw/zinc/12/11/92/1018121192.db2.gz IACUSGIRHUAJLW-UHFFFAOYSA-N -1 0 301.314 -0.182 20 0 DBADRM CC(C)(C)n1ncnc1Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001603133050 1018122263 /nfs/dbraw/zinc/12/22/63/1018122263.db2.gz KGEBBUOTTPIMNT-UHFFFAOYSA-N -1 0 317.313 -0.476 20 0 DBADRM CC(C)(C)n1ncnc1Cn1cncc(-c2nnn[n-]2)c1=O ZINC001603133406 1018122725 /nfs/dbraw/zinc/12/27/25/1018122725.db2.gz MYFCTCKXSUDUPL-UHFFFAOYSA-N -1 0 301.314 -0.182 20 0 DBADRM C[C@@H](C(=O)N1CC(O)(C(=O)[O-])C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001603139474 1018123051 /nfs/dbraw/zinc/12/30/51/1018123051.db2.gz DJMVAUPYJKBDCT-LPEHRKFASA-N -1 0 324.333 -0.792 20 0 DBADRM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001603134258 1018123424 /nfs/dbraw/zinc/12/34/24/1018123424.db2.gz SXCQIFTWZPFSIZ-MWLCHTKSSA-N -1 0 322.365 -0.126 20 0 DBADRM CC(C)(C)c1nc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)no1 ZINC001603124389 1018124046 /nfs/dbraw/zinc/12/40/46/1018124046.db2.gz SWYBUHQIJDLJIJ-UHFFFAOYSA-N -1 0 318.297 -0.142 20 0 DBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@@](C)(CO)C1)C(=O)[O-] ZINC001603145443 1018124963 /nfs/dbraw/zinc/12/49/63/1018124963.db2.gz RABPTXYDPSZQRY-IINYFYTJSA-N -1 0 300.355 -0.214 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1)C(=O)[O-] ZINC001603145383 1018127073 /nfs/dbraw/zinc/12/70/73/1018127073.db2.gz PNSQYRZQCNBWFQ-ZNSHCXBVSA-N -1 0 314.338 -0.914 20 0 DBADRM C[C@H](CCO)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603143185 1018127869 /nfs/dbraw/zinc/12/78/69/1018127869.db2.gz VAFKZNHMEIFZPI-ZJUUUORDSA-N -1 0 301.343 -0.478 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@@H](O)C(F)(F)C1)C(=O)[O-] ZINC001603146024 1018129863 /nfs/dbraw/zinc/12/98/63/1018129863.db2.gz YFIHPIHYCPPPAK-HTQZYQBOSA-N -1 0 308.281 -0.606 20 0 DBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])C1CC1)n1cnc2c1ncnc2N ZINC001603149107 1018130346 /nfs/dbraw/zinc/13/03/46/1018130346.db2.gz NNEOULPVCDYMTI-SVRRBLITSA-N -1 0 304.310 -0.051 20 0 DBADRM C[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])C(F)(F)F ZINC001603148346 1018130612 /nfs/dbraw/zinc/13/06/12/1018130612.db2.gz NTAFGVDXKPDVDU-RITPCOANSA-N -1 0 303.258 -0.105 20 0 DBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC2(C1)OCCO2)C(=O)[O-] ZINC001603145947 1018131184 /nfs/dbraw/zinc/13/11/84/1018131184.db2.gz XVRDTYLGPFLGTF-SECBINFHSA-N -1 0 300.311 -0.859 20 0 DBADRM CC(C)(F)C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001603158277 1018131332 /nfs/dbraw/zinc/13/13/32/1018131332.db2.gz YVPJPFFTBSPYSZ-ZKCHVHJHSA-N -1 0 320.332 -0.114 20 0 DBADRM C[C@H](C(=O)N[C@H](Cn1cncn1)C(=O)[O-])N1CCSCC1 ZINC001603154381 1018131504 /nfs/dbraw/zinc/13/15/04/1018131504.db2.gz COYVIYCIVPGJPS-NXEZZACHSA-N -1 0 313.383 -0.715 20 0 DBADRM C[C@@H](C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-])C1CC1 ZINC001603149318 1018132146 /nfs/dbraw/zinc/13/21/46/1018132146.db2.gz OYYIIVMEUQYFTJ-JEZHCXPESA-N -1 0 309.322 -0.362 20 0 DBADRM C[C@@H](C(=O)N[C@H](CO)C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC001603156103 1018132890 /nfs/dbraw/zinc/13/28/90/1018132890.db2.gz RCKTWIDXHPPSFS-WCBMZHEXSA-N -1 0 305.294 -0.537 20 0 DBADRM C[C@@H](CN(C)C(=O)CCN1C(=O)CCNC1=S)C(=O)[O-] ZINC001603150142 1018132948 /nfs/dbraw/zinc/13/29/48/1018132948.db2.gz WPRCULJESOZGBT-QMMMGPOBSA-N -1 0 301.368 -0.338 20 0 DBADRM C[C@H](CN1CCCC1=O)NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001603158632 1018134655 /nfs/dbraw/zinc/13/46/55/1018134655.db2.gz BPPHUMKIBBNNNY-VHSXEESVSA-N -1 0 313.354 -0.707 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001603160088 1018135217 /nfs/dbraw/zinc/13/52/17/1018135217.db2.gz HNALRFPCNBSWHF-QMTHXVAHSA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(c2cnccn2)[C@@H](C)C1 ZINC001603159709 1018135405 /nfs/dbraw/zinc/13/54/05/1018135405.db2.gz COETYDPNABCNKJ-WDEREUQCSA-N -1 0 307.354 -0.424 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@H](S(C)(=O)=O)CC1 ZINC001603161336 1018136323 /nfs/dbraw/zinc/13/63/23/1018136323.db2.gz QLLGDCNRPIXSAE-ZJUUUORDSA-N -1 0 306.384 -0.525 20 0 DBADRM C[C@H](CN1CCOCC1)N(C)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001603158804 1018136898 /nfs/dbraw/zinc/13/68/98/1018136898.db2.gz FQAPFXIREIZWTI-SNVBAGLBSA-N -1 0 311.342 -0.845 20 0 DBADRM C[C@H](CNC(=O)C(=O)N(C)[C@H](C)CN1CCOCC1)C(=O)[O-] ZINC001603159277 1018137132 /nfs/dbraw/zinc/13/71/32/1018137132.db2.gz VTEHJWJNTRDSPQ-GHMZBOCLSA-N -1 0 315.370 -0.998 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001603160089 1018137564 /nfs/dbraw/zinc/13/75/64/1018137564.db2.gz HNALRFPCNBSWHF-YGRLFVJLSA-N -1 0 300.355 -0.154 20 0 DBADRM C[C@H](CNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-] ZINC001603166443 1018138830 /nfs/dbraw/zinc/13/88/30/1018138830.db2.gz INCRDVSUAPPLFQ-RKDXNWHRSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@H](CNC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)CC1)C(=O)[O-] ZINC001603166457 1018139388 /nfs/dbraw/zinc/13/93/88/1018139388.db2.gz IZFAPNPGGLCYSX-OPRDCNLKSA-N -1 0 313.354 -0.769 20 0 DBADRM C[C@H](CNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1)C(=O)[O-] ZINC001603166440 1018139905 /nfs/dbraw/zinc/13/99/05/1018139905.db2.gz INCRDVSUAPPLFQ-BDAKNGLRSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1C[C@H](O)[C@@H](O)C1 ZINC001603169041 1018141124 /nfs/dbraw/zinc/14/11/24/1018141124.db2.gz XGSHZWNHGMGIRV-XDTLVQLUSA-N -1 0 308.334 -0.573 20 0 DBADRM C[C@@H](CNC(=O)NCc1ccccc1C(=O)[O-])S(N)(=O)=O ZINC001603183975 1018141188 /nfs/dbraw/zinc/14/11/88/1018141188.db2.gz MDIRXFAAWCDHQI-QMMMGPOBSA-N -1 0 315.351 -0.139 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)[C@@H](C)n1cncn1 ZINC001603174315 1018141479 /nfs/dbraw/zinc/14/14/79/1018141479.db2.gz LBEPVIKMKXABIX-RKDXNWHRSA-N -1 0 319.325 -0.634 20 0 DBADRM C[C@@H](CNC(=O)NCc1cn(C2CC2)c(=O)[nH]c1=O)C(=O)[O-] ZINC001603184115 1018142590 /nfs/dbraw/zinc/14/25/90/1018142590.db2.gz VLPKWGTUCBUMCQ-ZETCQYMHSA-N -1 0 310.310 -0.196 20 0 DBADRM C[C@@H](C(=O)[O-])N(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001603197745 1018144190 /nfs/dbraw/zinc/14/41/90/1018144190.db2.gz STKNRLCMOYWHTA-VHSXEESVSA-N -1 0 318.395 -0.383 20 0 DBADRM C[C@](CO)(NC(=O)c1cn(CC(=O)[O-])nn1)c1ccc(O)cc1 ZINC001603201396 1018144971 /nfs/dbraw/zinc/14/49/71/1018144971.db2.gz APYRCEXWVHAYHU-CQSZACIVSA-N -1 0 320.305 -0.294 20 0 DBADRM CC(C)C(=O)N(C)[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001603192691 1018145167 /nfs/dbraw/zinc/14/51/67/1018145167.db2.gz JTESMEUGRVTTBA-SECBINFHSA-N -1 0 304.358 -0.007 20 0 DBADRM C[C@@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cnn(C)c1 ZINC001603210580 1018147222 /nfs/dbraw/zinc/14/72/22/1018147222.db2.gz JRUVAEFBCXVXSV-OTYXRUKQSA-N -1 0 308.338 -0.080 20 0 DBADRM C[C@H](C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O)S(C)(=O)=O ZINC001603220537 1018147818 /nfs/dbraw/zinc/14/78/18/1018147818.db2.gz GVDJQYDFNAIRIK-SFYZADRCSA-N -1 0 307.324 -0.962 20 0 DBADRM C[C@H](NC(=O)C(=O)N1CC=C[C@@H]1CO)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603211026 1018148161 /nfs/dbraw/zinc/14/81/61/1018148161.db2.gz RYTZMVLUISSJJR-WHOHXGKFSA-N -1 0 324.377 -0.003 20 0 DBADRM C[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(=O)NCC(F)(F)F ZINC001603219455 1018148522 /nfs/dbraw/zinc/14/85/22/1018148522.db2.gz WLJUKUHHBVAZTM-UJURSFKZSA-N -1 0 311.216 -0.601 20 0 DBADRM C[C@@H](NC(=O)NCCOCCOCC(=O)[O-])c1ncn(C)n1 ZINC001603232494 1018149929 /nfs/dbraw/zinc/14/99/29/1018149929.db2.gz HFIGRISGGKPBSJ-SECBINFHSA-N -1 0 315.330 -0.707 20 0 DBADRM C[C@H](NC(=O)c1cc(C(=O)[O-])nn1C)[C@H](C)N1CCOCC1 ZINC001603234499 1018151232 /nfs/dbraw/zinc/15/12/32/1018151232.db2.gz PLHOQVAJXSNLKM-UWVGGRQHSA-N -1 0 310.354 -0.043 20 0 DBADRM CC(C)[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001603245499 1018151707 /nfs/dbraw/zinc/15/17/07/1018151707.db2.gz ICBAPTWBJDNMLR-MRVPVSSYSA-N -1 0 305.342 -0.264 20 0 DBADRM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)c(F)c1F)C(=O)[O-] ZINC001603256221 1018151826 /nfs/dbraw/zinc/15/18/26/1018151826.db2.gz KNAFNNYRILSWQV-GFCCVEGCSA-N -1 0 320.223 -0.006 20 0 DBADRM CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001603256067 1018151963 /nfs/dbraw/zinc/15/19/63/1018151963.db2.gz DCJGTGGFZVQAPE-HNNXBMFYSA-N -1 0 324.333 -0.196 20 0 DBADRM CC(C)[C@H]1CCN1C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001603246729 1018153249 /nfs/dbraw/zinc/15/32/49/1018153249.db2.gz WAKFGQISJOPJEM-SECBINFHSA-N -1 0 319.325 -0.614 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)C1CC1 ZINC001603264676 1018156875 /nfs/dbraw/zinc/15/68/75/1018156875.db2.gz ALTBLWUWNAMSTJ-OUAUKWLOSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)OCC(=O)[O-])cc1 ZINC001603268425 1018158168 /nfs/dbraw/zinc/15/81/68/1018158168.db2.gz JEFDHMLKPSBRRD-MRVPVSSYSA-N -1 0 317.319 -0.413 20 0 DBADRM CC(C)CC[C@H](O)Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC001603278296 1018159183 /nfs/dbraw/zinc/15/91/83/1018159183.db2.gz LZKMLWQPFOGALS-VIFPVBQESA-N -1 0 308.342 -0.476 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)CN2CCNC(=O)C2)n1 ZINC001603288747 1018160164 /nfs/dbraw/zinc/16/01/64/1018160164.db2.gz OMOIKBATXIVOAN-UHFFFAOYSA-N -1 0 309.326 -0.927 20 0 DBADRM C[C@@H](OCC(=O)Nc1ncn(CC(=O)[O-])n1)c1nccn1C ZINC001603277409 1018160337 /nfs/dbraw/zinc/16/03/37/1018160337.db2.gz WTURVCRSFFVZIX-MRVPVSSYSA-N -1 0 308.298 -0.188 20 0 DBADRM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NC[C@H](O)CC(=O)[O-] ZINC001603298576 1018161391 /nfs/dbraw/zinc/16/13/91/1018161391.db2.gz NMFLNMLKBXXIMZ-BDAKNGLRSA-N -1 0 318.395 -0.114 20 0 DBADRM CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CC[C@@H]1C(=O)[O-] ZINC001603298163 1018162816 /nfs/dbraw/zinc/16/28/16/1018162816.db2.gz GFMVEKDENBFKJO-SECBINFHSA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C2(CS(C)(=O)=O)COC2)C1 ZINC001603297018 1018162861 /nfs/dbraw/zinc/16/28/61/1018162861.db2.gz GGLNJPWZKWOJGB-NSHDSACASA-N -1 0 305.352 -0.629 20 0 DBADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001603313104 1018163781 /nfs/dbraw/zinc/16/37/81/1018163781.db2.gz VQRYUZWGWFPZQL-OCAPTIKFSA-N -1 0 308.334 -0.146 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(F)(F)C(=O)N2CCOCC2)C1 ZINC001603297225 1018163881 /nfs/dbraw/zinc/16/38/81/1018163881.db2.gz OFVQEMSZYGNINH-LBPRGKRZSA-N -1 0 320.292 -0.196 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc3ncnn3c2)C1 ZINC001603297461 1018164008 /nfs/dbraw/zinc/16/40/08/1018164008.db2.gz XJQFLBFUOHXZMA-CQSZACIVSA-N -1 0 317.305 -0.009 20 0 DBADRM CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001603334246 1018165425 /nfs/dbraw/zinc/16/54/25/1018165425.db2.gz SNDVYEMHHTZOJV-VIFPVBQESA-N -1 0 319.383 -0.858 20 0 DBADRM CC(C)(C)/C=C/C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001603321418 1018166701 /nfs/dbraw/zinc/16/67/01/1018166701.db2.gz SRFBZPAHJJCPSV-XKFHPXPTSA-N -1 0 324.377 -0.001 20 0 DBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC001603322425 1018167197 /nfs/dbraw/zinc/16/71/97/1018167197.db2.gz OSIARSMIHXSPFC-CYBMUJFWSA-N -1 0 319.379 -0.457 20 0 DBADRM CC(C)(C)/C=C\C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001603320693 1018167580 /nfs/dbraw/zinc/16/75/80/1018167580.db2.gz IPZGBTORURHMQL-KWKBKKAHSA-N -1 0 324.377 -0.001 20 0 DBADRM CC1(Cn2cc(C(=O)Nc3ccn(CC(=O)[O-])n3)nn2)COC1 ZINC001603346603 1018170329 /nfs/dbraw/zinc/17/03/29/1018170329.db2.gz RCFOKQFPNRPXIG-UHFFFAOYSA-N -1 0 320.309 -0.152 20 0 DBADRM CC1(CNC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)OCCO1 ZINC001603339737 1018170528 /nfs/dbraw/zinc/17/05/28/1018170528.db2.gz JLEITUPXOZRVCZ-UHFFFAOYSA-N -1 0 309.278 -0.403 20 0 DBADRM CC1(Cn2cc(C(=O)Nc3cc(C(=O)[O-])n[nH]3)nn2)COC1 ZINC001603346365 1018170778 /nfs/dbraw/zinc/17/07/78/1018170778.db2.gz MCPBRZBILOIYIC-UHFFFAOYSA-N -1 0 306.282 -0.012 20 0 DBADRM C[C@@]12CN(C(=O)c3ccc(C(=O)[O-])nc3)C[C@@]1(C)C(=O)NC2=O ZINC001603347660 1018170877 /nfs/dbraw/zinc/17/08/77/1018170877.db2.gz CNWOXEICVLSWPP-GJZGRUSLSA-N -1 0 317.301 -0.095 20 0 DBADRM CC(C)(C)OC(=O)[C@]1(C(=O)NCC[C@H](O)C(=O)[O-])CCCO1 ZINC001603357612 1018173655 /nfs/dbraw/zinc/17/36/55/1018173655.db2.gz JFCRKCHEJVYJHU-LKFCYVNXSA-N -1 0 317.338 -0.171 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCn3cnnc3C2)C1 ZINC001603354430 1018173699 /nfs/dbraw/zinc/17/36/99/1018173699.db2.gz GQJAJHPWVBNXLO-ZJUUUORDSA-N -1 0 321.337 -0.811 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(CCO)C2CCC2)C1 ZINC001603355380 1018173934 /nfs/dbraw/zinc/17/39/34/1018173934.db2.gz QCIRVBZQRFDAOP-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001603356134 1018174420 /nfs/dbraw/zinc/17/44/20/1018174420.db2.gz WLZCDDKYOVKHDB-YUMQZZPRSA-N -1 0 316.339 -0.990 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(CCO)C2CCC2)C1 ZINC001603355382 1018174505 /nfs/dbraw/zinc/17/45/05/1018174505.db2.gz QCIRVBZQRFDAOP-QWRGUYRKSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CCCCO)C1 ZINC001603354078 1018174983 /nfs/dbraw/zinc/17/49/83/1018174983.db2.gz FSZHSRPYRQYCHZ-MNOVXSKESA-N -1 0 300.355 -0.214 20 0 DBADRM CC(C)(C)OC(=O)[C@@H]1CN(CC(=O)NCCC(=O)[O-])CCO1 ZINC001603365863 1018176051 /nfs/dbraw/zinc/17/60/51/1018176051.db2.gz OMIJRUBAGYDBIX-JTQLQIEISA-N -1 0 316.354 -0.380 20 0 DBADRM C[C@H]1C[C@H](C(=O)[O-])CN(c2nnnn2CCC(=O)N(C)C)C1 ZINC001603372067 1018176633 /nfs/dbraw/zinc/17/66/33/1018176633.db2.gz LQXZMENIAOHKMN-UWVGGRQHSA-N -1 0 310.358 -0.302 20 0 DBADRM C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001603416550 1018181430 /nfs/dbraw/zinc/18/14/30/1018181430.db2.gz SQIWJVKITKCKEM-WRWGMCAJSA-N -1 0 312.366 -0.073 20 0 DBADRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(CCCCCF)C1 ZINC001499776898 1018181451 /nfs/dbraw/zinc/18/14/51/1018181451.db2.gz VLBRMIFQSSZLIS-UHFFFAOYSA-N -1 0 315.349 -0.028 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)C[C@@H]1C(=O)[O-] ZINC001603415711 1018181778 /nfs/dbraw/zinc/18/17/78/1018181778.db2.gz IKTURQXIWMMKNN-ONGXEEELSA-N -1 0 321.333 -0.107 20 0 DBADRM C[C@@H]1CCCN(C(=O)[C@H]2CCN=C3C2=NNN3C)[C@@H]1C(=O)[O-] ZINC001603406950 1018182117 /nfs/dbraw/zinc/18/21/17/1018182117.db2.gz DQOMBLZAZTXYBH-YWVKMMECSA-N -1 0 307.354 -0.078 20 0 DBADRM CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N[C@H](CO)C(=O)[O-])C1 ZINC001603386629 1018182765 /nfs/dbraw/zinc/18/27/65/1018182765.db2.gz AEIWWFBJJSKTNC-DTWKUNHWSA-N -1 0 314.338 -0.195 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCOC[C@H]2C(=O)[O-])CC(C)(C)O1 ZINC001603442554 1018183978 /nfs/dbraw/zinc/18/39/78/1018183978.db2.gz GMKYVEIGLWDWMA-MNOVXSKESA-N -1 0 300.355 -0.202 20 0 DBADRM C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001603438892 1018184269 /nfs/dbraw/zinc/18/42/69/1018184269.db2.gz GLVJPHMNRNYUFE-WISYIIOYSA-N -1 0 312.366 -0.073 20 0 DBADRM CC(C)n1ncnc1Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001603436686 1018184772 /nfs/dbraw/zinc/18/47/72/1018184772.db2.gz WVYWNRSRZWHQRX-UHFFFAOYSA-N -1 0 303.286 -0.650 20 0 DBADRM C[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CCCO2)C[C@H](C)S1(=O)=O ZINC001603438748 1018184967 /nfs/dbraw/zinc/18/49/67/1018184967.db2.gz DWPFINWZPCTCPU-SBMIAAHKSA-N -1 0 305.352 -0.346 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)[C@H](C)CO1 ZINC001603439436 1018185216 /nfs/dbraw/zinc/18/52/16/1018185216.db2.gz MGMNJMQPLUZRNS-RKDXNWHRSA-N -1 0 310.310 -0.458 20 0 DBADRM C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC001603439471 1018185289 /nfs/dbraw/zinc/18/52/89/1018185289.db2.gz NILXDAINICVJTQ-RKDXNWHRSA-N -1 0 306.384 -0.117 20 0 DBADRM C[C@@H]1CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CC[C@@H]1O ZINC001603439079 1018185416 /nfs/dbraw/zinc/18/54/16/1018185416.db2.gz HXNLJHVJSLVHDL-ZJUUUORDSA-N -1 0 319.379 -0.505 20 0 DBADRM C[C@@H]1CN(C(=S)NCCNS(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC001603461434 1018188181 /nfs/dbraw/zinc/18/81/81/1018188181.db2.gz PBVZMRQGEYFPQB-RKDXNWHRSA-N -1 0 323.440 -0.547 20 0 DBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001603484804 1018191439 /nfs/dbraw/zinc/19/14/39/1018191439.db2.gz PUWBFXBHUQQLPA-DJLDLDEBSA-N -1 0 318.326 -0.770 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H]1CC[C@H]1O ZINC001603478493 1018191695 /nfs/dbraw/zinc/19/16/95/1018191695.db2.gz PELUJOJCPIQSTO-HRDYMLBCSA-N -1 0 302.327 -0.006 20 0 DBADRM C[C@H]1CN(c2nnc(CS(C)(=O)=O)n2C)CC[C@@H]1C(=O)[O-] ZINC001603470450 1018192151 /nfs/dbraw/zinc/19/21/51/1018192151.db2.gz JNPKOINCSUPARE-IUCAKERBSA-N -1 0 316.383 -0.093 20 0 DBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001603473864 1018192491 /nfs/dbraw/zinc/19/24/91/1018192491.db2.gz QQIFMMJTCIHQPF-KXNHARMFSA-N -1 0 301.339 -0.136 20 0 DBADRM CCC(=O)N1CC[C@H](C(=O)N(CCC(=O)OC)CC(=O)[O-])C1 ZINC001603485714 1018193052 /nfs/dbraw/zinc/19/30/52/1018193052.db2.gz BGNRQBGMOMBENT-JTQLQIEISA-N -1 0 314.338 -0.279 20 0 DBADRM CC(C)(C)OC(=O)N[C@H]1C[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001603490567 1018193219 /nfs/dbraw/zinc/19/32/19/1018193219.db2.gz CGVRNLNOWXZEHI-IMSYWVGJSA-N -1 0 314.338 -0.054 20 0 DBADRM CCC(=O)N1CC[C@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001603486027 1018193313 /nfs/dbraw/zinc/19/33/13/1018193313.db2.gz SQZVQILBQKZYMR-JTQLQIEISA-N -1 0 321.333 -0.326 20 0 DBADRM C[C@H]1OCC[C@@H]1c1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1 ZINC001603479665 1018194055 /nfs/dbraw/zinc/19/40/55/1018194055.db2.gz HSKPNASFEIAKJD-RQJHMYQMSA-N -1 0 322.277 -0.024 20 0 DBADRM CC[C@@H](C(=O)OC)C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001603504693 1018195282 /nfs/dbraw/zinc/19/52/82/1018195282.db2.gz LALRYFZYULGZCC-RNCFNFMXSA-N -1 0 303.311 -0.486 20 0 DBADRM CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001603512175 1018196313 /nfs/dbraw/zinc/19/63/13/1018196313.db2.gz HEWSBYLFKLONOF-VHSXEESVSA-N -1 0 313.354 -0.660 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[C@H](C)O)C(=O)[O-] ZINC001603548438 1018201264 /nfs/dbraw/zinc/20/12/64/1018201264.db2.gz FOJQJTTVXIHKQD-HBNTYKKESA-N -1 0 300.355 -0.025 20 0 DBADRM CC[C@@H](CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(=O)OC ZINC001603550439 1018201302 /nfs/dbraw/zinc/20/13/02/1018201302.db2.gz KYICPHLLSINSPI-VHSXEESVSA-N -1 0 314.338 -0.375 20 0 DBADRM CC[C@H](CNC(=O)C(=O)N1CCC[C@@](O)(C2CC2)C1)C(=O)[O-] ZINC001603548912 1018201319 /nfs/dbraw/zinc/20/13/19/1018201319.db2.gz MIENTWSFOHMCCA-BMIGLBTASA-N -1 0 312.366 -0.023 20 0 DBADRM CC[C@@H]1CN(C(=O)[C@](C)(OC)C(=O)[O-])C[C@@H](C)S1(=O)=O ZINC001603625615 1018213812 /nfs/dbraw/zinc/21/38/12/1018213812.db2.gz ZWPGGGDMEDEZEL-LNLATYFQSA-N -1 0 307.368 -0.100 20 0 DBADRM CC[C@@H](CNC(=O)C(=O)N1CCC[C@@](O)(C2CC2)C1)C(=O)[O-] ZINC001603548913 1018203405 /nfs/dbraw/zinc/20/34/05/1018203405.db2.gz MIENTWSFOHMCCA-BONVTDFDSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@H](CNc1ccc(-c2nn[nH]n2)nc1)N(C)C(=O)C(N)=O ZINC001603552556 1018203603 /nfs/dbraw/zinc/20/36/03/1018203603.db2.gz DHTRZQGPIXKDAH-SSDOTTSWSA-N -1 0 304.314 -0.994 20 0 DBADRM CC[C@H](CO)c1nnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1C ZINC001603574473 1018204732 /nfs/dbraw/zinc/20/47/32/1018204732.db2.gz BUTGUMZCPJXJIU-GPCCPHFNSA-N -1 0 310.354 -0.162 20 0 DBADRM CC[C@H](CNC(=O)N1CCO[C@@H](CNC(C)=O)C1)C(=O)[O-] ZINC001603556702 1018205750 /nfs/dbraw/zinc/20/57/50/1018205750.db2.gz LAMXXFVIJQUKLR-MNOVXSKESA-N -1 0 301.343 -0.356 20 0 DBADRM CC[C@@H](CNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)C(=O)[O-] ZINC001603558821 1018207962 /nfs/dbraw/zinc/20/79/62/1018207962.db2.gz CWUDPPYDPVGFSY-LPEHRKFASA-N -1 0 304.368 -0.217 20 0 DBADRM CCCS(=O)(=O)NC1CCN(C(=O)COCC(=O)[O-])CC1 ZINC001603681145 1018219923 /nfs/dbraw/zinc/21/99/23/1018219923.db2.gz BBWHAQCFQOOZQN-UHFFFAOYSA-N -1 0 322.383 -0.592 20 0 DBADRM CC[C@@H](CNC(=O)N1CCO[C@@H](CNC(C)=O)C1)C(=O)[O-] ZINC001603556703 1018208186 /nfs/dbraw/zinc/20/81/86/1018208186.db2.gz LAMXXFVIJQUKLR-QWRGUYRKSA-N -1 0 301.343 -0.356 20 0 DBADRM CC[C@H](O)[C@H](C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001603586495 1018208882 /nfs/dbraw/zinc/20/88/82/1018208882.db2.gz OUTOCJWTFVKXMK-AXFHLTTASA-N -1 0 300.355 -0.025 20 0 DBADRM CC[C@]1(C(=O)[O-])CCCN(c2nnnn2CC(=O)N(C)C)C1 ZINC001603609682 1018210286 /nfs/dbraw/zinc/21/02/86/1018210286.db2.gz QTQJTUMPDQIWEU-ZDUSSCGKSA-N -1 0 310.358 -0.158 20 0 DBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(C)[C@@H](C)CO)C1 ZINC001603593440 1018210770 /nfs/dbraw/zinc/21/07/70/1018210770.db2.gz FPRCIOJYANQKJT-IINYFYTJSA-N -1 0 300.355 -0.071 20 0 DBADRM CC[C@H](OC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(=O)OC ZINC001603586651 1018211918 /nfs/dbraw/zinc/21/19/18/1018211918.db2.gz RMQVRYUYRPKFAD-BDAKNGLRSA-N -1 0 301.295 -0.196 20 0 DBADRM CC(C)(CCC(=O)[O-])NC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC001603593106 1018212443 /nfs/dbraw/zinc/21/24/43/1018212443.db2.gz HHIJIWOGCLSYNG-UHFFFAOYSA-N -1 0 318.355 -0.710 20 0 DBADRM CCC[C@H](O)[C@@H](CO)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001603633740 1018212843 /nfs/dbraw/zinc/21/28/43/1018212843.db2.gz LATPKXUSHUNBPB-MNOVXSKESA-N -1 0 318.370 -0.311 20 0 DBADRM CCC1(CC)CN(CC(=O)NCC(=O)[O-])CCS1(=O)=O ZINC001603612023 1018213330 /nfs/dbraw/zinc/21/33/30/1018213330.db2.gz VJZQPIULIYTPPD-UHFFFAOYSA-N -1 0 306.384 -0.524 20 0 DBADRM CC(C)(CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)OCCO ZINC001603625054 1018213962 /nfs/dbraw/zinc/21/39/62/1018213962.db2.gz HYYUMIPQKNVIPD-SNVBAGLBSA-N -1 0 316.354 -0.787 20 0 DBADRM CC[C@@H]1CN(C(=O)[C@@](C)(OC)C(=O)[O-])C[C@@H](C)S1(=O)=O ZINC001603625614 1018214719 /nfs/dbraw/zinc/21/47/19/1018214719.db2.gz ZWPGGGDMEDEZEL-KBVBSXBZSA-N -1 0 307.368 -0.100 20 0 DBADRM CC(C)(CNC(=O)NCc1nnc2n1CCNC2=O)CC(=O)[O-] ZINC001603631996 1018215000 /nfs/dbraw/zinc/21/50/00/1018215000.db2.gz CMWNKSNDSYWOLT-UHFFFAOYSA-N -1 0 324.341 -0.678 20 0 DBADRM CC(C)(CO)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001603653799 1018215720 /nfs/dbraw/zinc/21/57/20/1018215720.db2.gz TWJGHFRHFVUYJP-NSHDSACASA-N -1 0 322.317 -0.248 20 0 DBADRM CC(C)(CNC(=O)c1csc(C(=O)[O-])n1)CS(N)(=O)=O ZINC001603644929 1018215831 /nfs/dbraw/zinc/21/58/31/1018215831.db2.gz BHHJCKLCZIQNGV-UHFFFAOYSA-N -1 0 321.380 -0.114 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC001603676923 1018218592 /nfs/dbraw/zinc/21/85/92/1018218592.db2.gz NLXMYKCYPHBCRB-RKDXNWHRSA-N -1 0 324.366 -0.035 20 0 DBADRM CCCS(=O)(=O)NC1CCN(C(=O)[C@H](OC)C(=O)[O-])CC1 ZINC001603681648 1018218629 /nfs/dbraw/zinc/21/86/29/1018218629.db2.gz PLFQUAOFMFMGIB-JTQLQIEISA-N -1 0 322.383 -0.594 20 0 DBADRM CCCNC(=O)CN1CCC(NC(=O)[C@@H](OC)C(=O)[O-])CC1 ZINC001603674274 1018220333 /nfs/dbraw/zinc/22/03/33/1018220333.db2.gz DWVJWSWJJKBFJP-GFCCVEGCSA-N -1 0 315.370 -0.807 20 0 DBADRM CC(C)(NC(=O)CCNS(C)(=O)=O)c1cc(C(=O)[O-])on1 ZINC001603671547 1018220530 /nfs/dbraw/zinc/22/05/30/1018220530.db2.gz JGUYNGVCHJNLAQ-UHFFFAOYSA-N -1 0 319.339 -0.337 20 0 DBADRM CC(C)(O)[C@@H](O)C(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-] ZINC001603687841 1018221711 /nfs/dbraw/zinc/22/17/11/1018221711.db2.gz JIGKELRBZWDAIB-NEPJUHHUSA-N -1 0 309.318 -0.138 20 0 DBADRM CC(C)(NS(C)(=O)=O)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001603685399 1018221928 /nfs/dbraw/zinc/22/19/28/1018221928.db2.gz DYBGHQRXWHFORM-UHFFFAOYSA-N -1 0 315.351 -0.025 20 0 DBADRM CC(C)(O)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001603686182 1018223836 /nfs/dbraw/zinc/22/38/36/1018223836.db2.gz PFOKXSCCOAWSCK-XQVHRTOBSA-N -1 0 319.379 -0.316 20 0 DBADRM CCN(C(=O)CCN1C(=O)CCNC1=S)[C@H](C)C(=O)[O-] ZINC001603714297 1018228994 /nfs/dbraw/zinc/22/89/94/1018228994.db2.gz ZSFSTECQRRFANV-MRVPVSSYSA-N -1 0 301.368 -0.195 20 0 DBADRM CC(C)C(=O)N(C)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC001603700606 1018229252 /nfs/dbraw/zinc/22/92/52/1018229252.db2.gz HMGBDQZGZKFRJB-UHFFFAOYSA-N -1 0 307.310 -0.251 20 0 DBADRM CCN(C(=O)C(=O)Nc1cnn(CCOC)c1)[C@H](C)C(=O)[O-] ZINC001603705505 1018229629 /nfs/dbraw/zinc/22/96/29/1018229629.db2.gz GZNCWKORQIWBPK-SECBINFHSA-N -1 0 312.326 -0.210 20 0 DBADRM CCOC(=O)[C@H](COC)N(C(=O)COCC(=O)[O-])C1CC1 ZINC001603779380 1018240333 /nfs/dbraw/zinc/24/03/33/1018240333.db2.gz CGHDWAIOFFERRX-JTQLQIEISA-N -1 0 303.311 -0.343 20 0 DBADRM CC(C)C(=O)NCCNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001603705906 1018230256 /nfs/dbraw/zinc/23/02/56/1018230256.db2.gz HMWLMIJKCRWJNZ-UHFFFAOYSA-N -1 0 315.351 -0.170 20 0 DBADRM CCN(C(=O)C(=O)Nc1ccn(CCOC)n1)[C@H](C)C(=O)[O-] ZINC001603706327 1018230622 /nfs/dbraw/zinc/23/06/22/1018230622.db2.gz YJWPVZWSKIFIKP-SECBINFHSA-N -1 0 312.326 -0.210 20 0 DBADRM CC(C)[C@H](C(=O)N[C@H](CCF)C(=O)[O-])N1CCCS1(=O)=O ZINC001603708970 1018230631 /nfs/dbraw/zinc/23/06/31/1018230631.db2.gz FBSLTWJXGUMNGB-NXEZZACHSA-N -1 0 324.374 -0.025 20 0 DBADRM CC(C)C(=O)N[C@@H](CO)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001603705755 1018230665 /nfs/dbraw/zinc/23/06/65/1018230665.db2.gz DCYNGBWXMGSPQL-QMMMGPOBSA-N -1 0 315.351 -0.158 20 0 DBADRM CCN(C(=O)C(=O)Nc1cc(C)cn(C)c1=O)[C@H](C)C(=O)[O-] ZINC001603701105 1018230969 /nfs/dbraw/zinc/23/09/69/1018230969.db2.gz DPJQIQCAIHOPGQ-SECBINFHSA-N -1 0 309.322 -0.046 20 0 DBADRM CCN([C@H](C)C(=O)[O-])S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC001603724995 1018233138 /nfs/dbraw/zinc/23/31/38/1018233138.db2.gz FRSQPFWPSSVFGY-ZCFIWIBFSA-N -1 0 305.312 -0.320 20 0 DBADRM CCN(C)C(=O)Cn1nnnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001603724783 1018233443 /nfs/dbraw/zinc/23/34/43/1018233443.db2.gz ZGBYUHGUHLRLTQ-VHSXEESVSA-N -1 0 310.358 -0.302 20 0 DBADRM C[C@H](c1nc(-c2ccncn2)no1)n1cnc(-c2nnn[n-]2)n1 ZINC001603738716 1018234012 /nfs/dbraw/zinc/23/40/12/1018234012.db2.gz JQZIHLSLAKPYFB-ZCFIWIBFSA-N -1 0 311.269 -0.093 20 0 DBADRM CCN(OC)C(=O)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001603756073 1018234965 /nfs/dbraw/zinc/23/49/65/1018234965.db2.gz AYWIAPLYRFNDOV-UHFFFAOYSA-N -1 0 323.371 -0.973 20 0 DBADRM CC(C)CC(=O)N1CCCC[C@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001603760937 1018235856 /nfs/dbraw/zinc/23/58/56/1018235856.db2.gz MKDYJFSPTIPHEZ-QWRGUYRKSA-N -1 0 300.355 -0.025 20 0 DBADRM CCN(OC)C(=O)CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001603756878 1018236856 /nfs/dbraw/zinc/23/68/56/1018236856.db2.gz QKRFHQQBOXFTTC-ZANVPECISA-N -1 0 315.326 -0.861 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1C[C@@H]2COC[C@H](C1)O2)C(=O)[O-] ZINC001603775582 1018238252 /nfs/dbraw/zinc/23/82/52/1018238252.db2.gz ILBVJNGKPAVFPB-TUAOUCFPSA-N -1 0 300.355 -0.299 20 0 DBADRM CCN1CCCN(C(=O)C(=O)NCCCCC(=O)[O-])CC1=O ZINC001603763708 1018238781 /nfs/dbraw/zinc/23/87/81/1018238781.db2.gz MECBHQYKXWNCFF-UHFFFAOYSA-N -1 0 313.354 -0.562 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CC[C@@H](CO)[C@H](O)C1)C(=O)[O-] ZINC001603776288 1018239225 /nfs/dbraw/zinc/23/92/25/1018239225.db2.gz MNAHOTKLCAJFNL-SDDRHHMPSA-N -1 0 302.371 -0.723 20 0 DBADRM CC(C)C[C@H](NC(=O)CN1CC[C@H](CO)[C@H](O)C1)C(=O)[O-] ZINC001603776282 1018239278 /nfs/dbraw/zinc/23/92/78/1018239278.db2.gz MNAHOTKLCAJFNL-GRYCIOLGSA-N -1 0 302.371 -0.723 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCC(O)(CO)CC1)C(=O)[O-] ZINC001603775020 1018239515 /nfs/dbraw/zinc/23/95/15/1018239515.db2.gz CZNBRFDCKBTOCB-LLVKDONJSA-N -1 0 302.371 -0.579 20 0 DBADRM CC(C)C[C@H](CO)N(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001603775908 1018239591 /nfs/dbraw/zinc/23/95/91/1018239591.db2.gz KSYFHARXVMLPEC-GHMZBOCLSA-N -1 0 316.354 -0.836 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1CCN(C)C[C@@H]1CO)C(=O)[O-] ZINC001603777108 1018240019 /nfs/dbraw/zinc/24/00/19/1018240019.db2.gz ZVAYEUZYROSYBM-VXGBXAGGSA-N -1 0 301.387 -0.790 20 0 DBADRM CCN1CCO[C@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])C1 ZINC001603767916 1018240088 /nfs/dbraw/zinc/24/00/88/1018240088.db2.gz HTZWFGPDHOBHES-UWVGGRQHSA-N -1 0 302.327 -0.770 20 0 DBADRM CC(C)C[C@@H](NC(=O)COC(=O)[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001603777400 1018240426 /nfs/dbraw/zinc/24/04/26/1018240426.db2.gz YMNVTHGASVYQNN-DTWKUNHWSA-N -1 0 323.367 -0.422 20 0 DBADRM CCOC(=O)C1(C(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)CC1 ZINC001603787588 1018241097 /nfs/dbraw/zinc/24/10/97/1018241097.db2.gz VKJFRKHCWCWYDX-AWEZNQCLSA-N -1 0 315.322 -0.342 20 0 DBADRM CCOC(=O)N[C@@H]1CCCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001603803738 1018241537 /nfs/dbraw/zinc/24/15/37/1018241537.db2.gz YKUNWBBMAQFZCU-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM CCOC(=O)COCCNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001603796325 1018241822 /nfs/dbraw/zinc/24/18/22/1018241822.db2.gz CHIZLEYBHOCTJL-VIFPVBQESA-N -1 0 304.299 -0.939 20 0 DBADRM CCOC(=O)CC1CCN(C(=O)C(=O)NCCC(=O)[O-])CC1 ZINC001603793907 1018242204 /nfs/dbraw/zinc/24/22/04/1018242204.db2.gz YOPIDVWAEWDSHS-UHFFFAOYSA-N -1 0 314.338 -0.231 20 0 DBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)NCC[C@H](O)C(=O)[O-] ZINC001603899136 1018261231 /nfs/dbraw/zinc/26/12/31/1018261231.db2.gz BSVUMGSZCVCFSO-UWVGGRQHSA-N -1 0 301.343 -0.479 20 0 DBADRM C[C@]1(CO)C[C@@H](O)CN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001603808654 1018244649 /nfs/dbraw/zinc/24/46/49/1018244649.db2.gz RHIQYGNWFYDNMY-YMTOWFKASA-N -1 0 319.321 -0.470 20 0 DBADRM CC(C)COC[C@@H](O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001603822973 1018245206 /nfs/dbraw/zinc/24/52/06/1018245206.db2.gz WUNQNHDYOATCNZ-RYUDHWBXSA-N -1 0 323.411 -0.406 20 0 DBADRM CC(C)CS(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001603831684 1018249671 /nfs/dbraw/zinc/24/96/71/1018249671.db2.gz XCZNIDVIHFPVDT-ZDUSSCGKSA-N -1 0 320.411 -0.167 20 0 DBADRM CCO[C@H]1COCC[C@H]1NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603829017 1018249951 /nfs/dbraw/zinc/24/99/51/1018249951.db2.gz NNMKPTGMSXHHSQ-NEPJUHHUSA-N -1 0 324.333 -0.143 20 0 DBADRM CC(C)CS(=O)(=O)CCC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001603831200 1018250954 /nfs/dbraw/zinc/25/09/54/1018250954.db2.gz FTMMDKCUZPVGGY-ZYHUDNBSSA-N -1 0 321.395 -0.116 20 0 DBADRM CCO[C@@H]1C[C@H](OC(=O)[C@H](C)C(=O)[O-])[C@@H]1N1C(=O)CCC1=O ZINC001603828667 1018251054 /nfs/dbraw/zinc/25/10/54/1018251054.db2.gz KVYHDRUWBWIIEB-KZFFXBSXSA-N -1 0 313.306 -0.055 20 0 DBADRM CC(C)CS(=O)(=O)CC(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001603830226 1018251782 /nfs/dbraw/zinc/25/17/82/1018251782.db2.gz LEGFENBXNRDFEA-WDEREUQCSA-N -1 0 321.395 -0.089 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c2nccn21 ZINC001603853534 1018254512 /nfs/dbraw/zinc/25/45/12/1018254512.db2.gz QVWSWXOJHDZFQZ-HTQZYQBOSA-N -1 0 314.313 -0.523 20 0 DBADRM C[C@H]1C[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c2nccn21 ZINC001603853547 1018255326 /nfs/dbraw/zinc/25/53/26/1018255326.db2.gz QVWSWXOJHDZFQZ-YUMQZZPRSA-N -1 0 314.313 -0.523 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)C1 ZINC001603885835 1018256303 /nfs/dbraw/zinc/25/63/03/1018256303.db2.gz QYSILENBWVSGAY-NXEZZACHSA-N -1 0 319.379 -0.098 20 0 DBADRM CC(C)N(C[C@H](O)CO)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001603876026 1018256326 /nfs/dbraw/zinc/25/63/26/1018256326.db2.gz QQOXCIVYULZXGF-JTQLQIEISA-N -1 0 309.384 -0.365 20 0 DBADRM CCS(=O)(=O)C1CN(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)C1 ZINC001603885838 1018256880 /nfs/dbraw/zinc/25/68/80/1018256880.db2.gz QYSILENBWVSGAY-ZJUUUORDSA-N -1 0 319.379 -0.098 20 0 DBADRM CCS(=O)(=O)N(C)CCCNC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001603894358 1018256894 /nfs/dbraw/zinc/25/68/94/1018256894.db2.gz OANMOCAWXCLUNY-SECBINFHSA-N -1 0 321.355 -0.996 20 0 DBADRM CC(C)N(C[C@@H](O)CO)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001603875811 1018257560 /nfs/dbraw/zinc/25/75/60/1018257560.db2.gz MOTDLFABWXPSOH-SECBINFHSA-N -1 0 318.351 -0.468 20 0 DBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001603884981 1018258033 /nfs/dbraw/zinc/25/80/33/1018258033.db2.gz BVYZIMFZXCOZSE-VXNVDRBHSA-N -1 0 306.340 -0.503 20 0 DBADRM CC(C)N(C[C@H]1CCC(=O)N1)C(=O)NCCOCC(=O)[O-] ZINC001603876088 1018258250 /nfs/dbraw/zinc/25/82/50/1018258250.db2.gz SNGQEROBBSGHQY-SNVBAGLBSA-N -1 0 301.343 -0.214 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001603894477 1018258543 /nfs/dbraw/zinc/25/85/43/1018258543.db2.gz QGCKGQMABIMJHW-UHFFFAOYSA-N -1 0 316.339 -0.159 20 0 DBADRM CC[S@@](=O)CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603894660 1018258779 /nfs/dbraw/zinc/25/87/79/1018258779.db2.gz ISQDGPLQLAYONO-GSDQLPOLSA-N -1 0 304.368 -0.806 20 0 DBADRM CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)NCCOCC(=O)[O-] ZINC001603876085 1018258848 /nfs/dbraw/zinc/25/88/48/1018258848.db2.gz SNGQEROBBSGHQY-JTQLQIEISA-N -1 0 301.343 -0.214 20 0 DBADRM CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N[C@H](C)C(=O)[O-])c1 ZINC001603895726 1018260540 /nfs/dbraw/zinc/26/05/40/1018260540.db2.gz MXJYIYAFXGKFJV-ZCFIWIBFSA-N -1 0 302.308 -0.216 20 0 DBADRM CC1CCN(C(=O)Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)CC1 ZINC001603898313 1018261246 /nfs/dbraw/zinc/26/12/46/1018261246.db2.gz AKRNEBJCTAVCNN-UHFFFAOYSA-N -1 0 319.325 -0.613 20 0 DBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1OCCN(C)C1=O ZINC001603916951 1018262521 /nfs/dbraw/zinc/26/25/21/1018262521.db2.gz QIVJKYPDFQAPNM-ZJUUUORDSA-N -1 0 302.327 -0.820 20 0 DBADRM C[C@H](C(=O)N1CCCO[C@H](C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001603914087 1018263101 /nfs/dbraw/zinc/26/31/01/1018263101.db2.gz RRDFHNKXIWCUOS-RKDXNWHRSA-N -1 0 306.330 -0.343 20 0 DBADRM C/C=C/C[C@H](CO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001603963959 1018270189 /nfs/dbraw/zinc/27/01/89/1018270189.db2.gz QNIVZPZLNSUOEV-WTSVBCDHSA-N -1 0 321.341 -0.997 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC(=O)N[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC001603973271 1018274463 /nfs/dbraw/zinc/27/44/63/1018274463.db2.gz WPIZFHCBGRDBPE-SUNKGSAMSA-N -1 0 311.382 -0.045 20 0 DBADRM CC(C)[C@H](NC(=O)Cn1cc(S(C)(=O)=O)cn1)C(=O)[O-] ZINC001603978891 1018276824 /nfs/dbraw/zinc/27/68/24/1018276824.db2.gz RYYQVZQBXSVSNY-JTQLQIEISA-N -1 0 303.340 -0.488 20 0 DBADRM CC(C)[C@H](NC(=O)COC(=O)[C@@H]1CCNC(=O)C1)C(=O)[O-] ZINC001603974142 1018276917 /nfs/dbraw/zinc/27/69/17/1018276917.db2.gz WCBJOLGCKRWVHT-KCJUWKMLSA-N -1 0 300.311 -0.719 20 0 DBADRM CCc1ncsc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001603988670 1018277788 /nfs/dbraw/zinc/27/77/88/1018277788.db2.gz DWCPIOAZYZXSBC-NSHDSACASA-N -1 0 301.324 -0.404 20 0 DBADRM CCn1c(=O)[nH]c2cc(C(=O)OCC(=O)C(=O)[O-])ccc2c1=O ZINC001604002738 1018278266 /nfs/dbraw/zinc/27/82/66/1018278266.db2.gz DKWLDPUEWXRYCW-UHFFFAOYSA-N -1 0 320.257 -0.068 20 0 DBADRM CCn1c(SCC(=O)C(=O)[O-])nnc1N1CCOCC1 ZINC001604006667 1018278554 /nfs/dbraw/zinc/27/85/54/1018278554.db2.gz OTPZDKIUUVHWGV-UHFFFAOYSA-N -1 0 300.340 -0.120 20 0 DBADRM CN(C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C1CCOCC1 ZINC001604028880 1018279773 /nfs/dbraw/zinc/27/97/73/1018279773.db2.gz USAGYBQFSBWAFB-SNVBAGLBSA-N -1 0 320.367 -0.599 20 0 DBADRM CC(C)c1nnnn1CC(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001604026522 1018280361 /nfs/dbraw/zinc/28/03/61/1018280361.db2.gz GIDTTYJNCXZATN-JTQLQIEISA-N -1 0 307.314 -0.528 20 0 DBADRM CCn1[nH]c(C)nc1=NC(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001604022105 1018280431 /nfs/dbraw/zinc/28/04/31/1018280431.db2.gz KOWYTRSPVPKUGY-ZDUSSCGKSA-N -1 0 311.342 -0.017 20 0 DBADRM CC[C@@H](COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC001604040646 1018283269 /nfs/dbraw/zinc/28/32/69/1018283269.db2.gz SPJSONTYKLVHHV-SFYZADRCSA-N -1 0 323.313 -0.238 20 0 DBADRM CN(C)[C@@H](C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)c1cncn1C ZINC001604046086 1018283847 /nfs/dbraw/zinc/28/38/47/1018283847.db2.gz GDFUNCPYCMFTLR-NVBFEUDRSA-N -1 0 322.365 -0.418 20 0 DBADRM CC[C@H](CCO)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604030312 1018283992 /nfs/dbraw/zinc/28/39/92/1018283992.db2.gz RRNDXOZOQLIKAS-DTWKUNHWSA-N -1 0 308.346 -0.456 20 0 DBADRM CC(C)n1cc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cn1 ZINC001604036130 1018284486 /nfs/dbraw/zinc/28/44/86/1018284486.db2.gz MUXFRXAITBADMX-QWRGUYRKSA-N -1 0 324.337 -0.161 20 0 DBADRM CN(C)C(=O)[C@@H]1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001604041966 1018284792 /nfs/dbraw/zinc/28/47/92/1018284792.db2.gz YJEGFFCKRIMCCT-SECBINFHSA-N -1 0 309.326 -0.090 20 0 DBADRM CC[C@@H](COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C(=O)OC ZINC001604040648 1018285259 /nfs/dbraw/zinc/28/52/59/1018285259.db2.gz SPJSONTYKLVHHV-YUMQZZPRSA-N -1 0 323.313 -0.238 20 0 DBADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC001604053184 1018286355 /nfs/dbraw/zinc/28/63/55/1018286355.db2.gz GXGVFURZDVQSSK-KVFVURRZSA-N -1 0 306.282 -0.067 20 0 DBADRM CC[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H]1CCCCO1 ZINC001604047650 1018287163 /nfs/dbraw/zinc/28/71/63/1018287163.db2.gz OGIHVJUTEVOLEE-NXEZZACHSA-N -1 0 320.357 -0.078 20 0 DBADRM C[C@H](C1CC1)n1nccc1NC(=O)CN[C@](C)(CO)C(=O)[O-] ZINC001604051641 1018288033 /nfs/dbraw/zinc/28/80/33/1018288033.db2.gz PQLDLRYTKKKYKH-YMTOWFKASA-N -1 0 310.354 -0.360 20 0 DBADRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001604060383 1018288129 /nfs/dbraw/zinc/28/81/29/1018288129.db2.gz PDDYGCIIZJDODY-MXQLGCADSA-N -1 0 318.333 -0.223 20 0 DBADRM CN(C)S(=O)(=O)CCNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001604075670 1018289542 /nfs/dbraw/zinc/28/95/42/1018289542.db2.gz QHODOQKPFDNPFX-UHFFFAOYSA-N -1 0 322.383 -0.735 20 0 DBADRM C[C@H](CN(C(=O)C1CN(S(C)(=O)=O)C1)C1CC1)C(=O)[O-] ZINC001604149443 1018305609 /nfs/dbraw/zinc/30/56/09/1018305609.db2.gz ABPRDYNQZMEHBP-MRVPVSSYSA-N -1 0 304.368 -0.411 20 0 DBADRM C[C@H](CC(=O)[O-])CC(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001604104467 1018294031 /nfs/dbraw/zinc/29/40/31/1018294031.db2.gz NFRKBFDHERUKJU-TVQRCGJNSA-N -1 0 300.311 -0.175 20 0 DBADRM CCC1(CNS(=O)(=O)c2cccnc2-c2nnn[n-]2)COC1 ZINC001604086787 1018294176 /nfs/dbraw/zinc/29/41/76/1018294176.db2.gz QIQDNUGDFNOTMO-UHFFFAOYSA-N -1 0 324.366 -0.033 20 0 DBADRM C[C@H](CC(=O)[O-])C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 ZINC001604095008 1018294327 /nfs/dbraw/zinc/29/43/27/1018294327.db2.gz MHKHOHCKGWOUKN-ZCFIWIBFSA-N -1 0 304.328 -0.924 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC001604103916 1018294889 /nfs/dbraw/zinc/29/48/89/1018294889.db2.gz QVEOYONMLQWLPY-VXGBXAGGSA-N -1 0 302.371 -0.361 20 0 DBADRM CC[C@@H]1C[C@H](C)CN1c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604097638 1018294924 /nfs/dbraw/zinc/29/49/24/1018294924.db2.gz REOUGPRKXXACCB-JGVFFNPUSA-N -1 0 305.342 -0.122 20 0 DBADRM CN(C)c1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cn1 ZINC001604091040 1018295028 /nfs/dbraw/zinc/29/50/28/1018295028.db2.gz QENMKYCBSYZEJO-LLVKDONJSA-N -1 0 303.340 -0.739 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCCC[C@H]1CNS(N)(=O)=O ZINC001604106537 1018295380 /nfs/dbraw/zinc/29/53/80/1018295380.db2.gz ZAPQLAWPBWCVHB-ZJUUUORDSA-N -1 0 321.399 -0.339 20 0 DBADRM C[C@@H](CN(C)S(C)(=O)=O)OC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001604159275 1018310546 /nfs/dbraw/zinc/31/05/46/1018310546.db2.gz OJSYXZQIINYVFZ-XHNCKOQMSA-N -1 0 309.340 -0.558 20 0 DBADRM CC[C@@]1(O)CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001604093867 1018295715 /nfs/dbraw/zinc/29/57/15/1018295715.db2.gz QVOUATOKRMZXMC-GFCCVEGCSA-N -1 0 324.366 -0.203 20 0 DBADRM CN(C)c1ncccc1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001604092370 1018296369 /nfs/dbraw/zinc/29/63/69/1018296369.db2.gz DIOXZJSVNPQEBO-SNVBAGLBSA-N -1 0 307.306 -0.010 20 0 DBADRM C[C@@H](CC(=O)[O-])CC(=O)N(C)Cc1nnc2n1CCNC2=O ZINC001604103873 1018296474 /nfs/dbraw/zinc/29/64/74/1018296474.db2.gz OOVZTKOLPZGZCD-MRVPVSSYSA-N -1 0 309.326 -0.519 20 0 DBADRM CN(CC(N)=O)C(=O)c1cccc(NC(=O)COCC(=O)[O-])c1 ZINC001604124586 1018299800 /nfs/dbraw/zinc/29/98/00/1018299800.db2.gz LCFIKQZMOVYOMO-UHFFFAOYSA-N -1 0 323.305 -0.716 20 0 DBADRM CN(CC(=O)[O-])Cc1cn(CC2CCS(=O)(=O)CC2)nn1 ZINC001604113947 1018300750 /nfs/dbraw/zinc/30/07/50/1018300750.db2.gz PXKCZILIXCCPEG-UHFFFAOYSA-N -1 0 316.383 -0.381 20 0 DBADRM C[C@H](CNC(=O)[C@@H](C)CC(N)=O)N(C)c1ncc(C(=O)[O-])cn1 ZINC001604125226 1018301870 /nfs/dbraw/zinc/30/18/70/1018301870.db2.gz LWYQRUFESWOHEJ-DTWKUNHWSA-N -1 0 323.353 -0.373 20 0 DBADRM C[C@](CCF)(NC(=O)[C@@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001604140942 1018301925 /nfs/dbraw/zinc/30/19/25/1018301925.db2.gz XKZAVDYMULUNHX-JMCQJSRRSA-N -1 0 300.290 -0.135 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCCC(C)(C)S(C)(=O)=O ZINC001604133618 1018302640 /nfs/dbraw/zinc/30/26/40/1018302640.db2.gz ASPDCSMJUXRYBK-UHFFFAOYSA-N -1 0 322.383 -0.751 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC001604134065 1018303497 /nfs/dbraw/zinc/30/34/97/1018303497.db2.gz OFWNRUIERXPTSJ-JTQLQIEISA-N -1 0 324.337 -0.209 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC(C2OCCO2)CC1 ZINC001604133770 1018304238 /nfs/dbraw/zinc/30/42/38/1018304238.db2.gz HSWQBUSQGLFMES-UHFFFAOYSA-N -1 0 314.338 -0.469 20 0 DBADRM CN(CCCC(=O)[O-])C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001604157428 1018306014 /nfs/dbraw/zinc/30/60/14/1018306014.db2.gz ILDYRMWLCJIEOQ-UHFFFAOYSA-N -1 0 308.298 -0.576 20 0 DBADRM C[C@](CCF)(NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC001604142396 1018306212 /nfs/dbraw/zinc/30/62/12/1018306212.db2.gz NODWGTZDKBSEEL-MRVPVSSYSA-N -1 0 305.349 -0.847 20 0 DBADRM C[C@@H](CCNC(=O)c1cn[nH]n1)Nc1ncc(C(=O)[O-])cn1 ZINC001604142046 1018307075 /nfs/dbraw/zinc/30/70/75/1018307075.db2.gz OGSWJXAFYRQQPB-ZETCQYMHSA-N -1 0 305.298 -0.087 20 0 DBADRM CCC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)n1C)c1nnn[n-]1 ZINC001604144232 1018307370 /nfs/dbraw/zinc/30/73/70/1018307370.db2.gz HOVOSSZVJJLFAG-ZETCQYMHSA-N -1 0 316.329 -0.011 20 0 DBADRM C[C@H](CCNC(=O)c1cn[nH]n1)Nc1ncc(C(=O)[O-])cn1 ZINC001604142045 1018307842 /nfs/dbraw/zinc/30/78/42/1018307842.db2.gz OGSWJXAFYRQQPB-SSDOTTSWSA-N -1 0 305.298 -0.087 20 0 DBADRM C[C@@H](CN(C)c1ccnc(C(=O)[O-])n1)NC(=O)CCCC(N)=O ZINC001604159115 1018310308 /nfs/dbraw/zinc/31/03/08/1018310308.db2.gz MKWIZWGHSGGEQC-VIFPVBQESA-N -1 0 323.353 -0.229 20 0 DBADRM CN(CCCNC(=O)c1cn(CC(=O)[O-])nn1)CC(F)(F)F ZINC001604169003 1018310325 /nfs/dbraw/zinc/31/03/25/1018310325.db2.gz SRMQDBABJFKMBJ-UHFFFAOYSA-N -1 0 323.275 -0.023 20 0 DBADRM C[C@H](CN1CCOCC1)C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001604166381 1018310390 /nfs/dbraw/zinc/31/03/90/1018310390.db2.gz AQEOUHRSCOKTPT-NEPJUHHUSA-N -1 0 300.355 -0.343 20 0 DBADRM C[C@H](CNC(=O)[C@@H](C)CC(N)=O)Nc1ncc(C(=O)[O-])cn1 ZINC001604171733 1018311508 /nfs/dbraw/zinc/31/15/08/1018311508.db2.gz GALYTQQSVBPJGC-JGVFFNPUSA-N -1 0 309.326 -0.397 20 0 DBADRM C[C@@H](CNC(=O)CCCC(N)=O)N(C)c1ncc(C(=O)[O-])cn1 ZINC001604173745 1018312540 /nfs/dbraw/zinc/31/25/40/1018312540.db2.gz COHBENWKSXVXLS-VIFPVBQESA-N -1 0 323.353 -0.229 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC2(CNC(=O)O2)CC1)C(=O)[O-] ZINC001604207015 1018322445 /nfs/dbraw/zinc/32/24/45/1018322445.db2.gz WARIEKXKNDXKTJ-MRVPVSSYSA-N -1 0 306.340 -0.389 20 0 DBADRM C[C@H](CNC(=O)c1cnnn1C)N(C)c1ccnc(C(=O)[O-])n1 ZINC001604183943 1018313801 /nfs/dbraw/zinc/31/38/01/1018313801.db2.gz PHCBYGCHSDNDIN-MRVPVSSYSA-N -1 0 319.325 -0.442 20 0 DBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CNC(=O)C(C)(C)C ZINC001500308216 1018314621 /nfs/dbraw/zinc/31/46/21/1018314621.db2.gz KTEKPIPDIJGMEX-SSDOTTSWSA-N -1 0 311.342 -0.189 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)[C@H]1COCCO1 ZINC001604190810 1018315100 /nfs/dbraw/zinc/31/51/00/1018315100.db2.gz OSUCAGYOCMSOJY-NXEZZACHSA-N -1 0 324.337 -0.729 20 0 DBADRM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1ncc(C(=O)[O-])cn1 ZINC001604183630 1018315172 /nfs/dbraw/zinc/31/51/72/1018315172.db2.gz NHZWAYMGMTXIHO-CLAHSXSESA-N -1 0 321.337 -0.240 20 0 DBADRM CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001604194677 1018317320 /nfs/dbraw/zinc/31/73/20/1018317320.db2.gz ARUPPHLEUQIZQH-AWEZNQCLSA-N -1 0 319.321 -0.123 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)Cn1ccnc1 ZINC001604191477 1018317441 /nfs/dbraw/zinc/31/74/41/1018317441.db2.gz WABQGQBJFZPGSZ-JTQLQIEISA-N -1 0 318.337 -0.248 20 0 DBADRM C[C@@](CO)(NC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)[O-] ZINC001604193334 1018317460 /nfs/dbraw/zinc/31/74/60/1018317460.db2.gz LAUMGLMNHWIMAV-LBPRGKRZSA-N -1 0 316.335 -0.377 20 0 DBADRM C[C@](CO)(NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)C(=O)[O-] ZINC001604191818 1018317668 /nfs/dbraw/zinc/31/76/68/1018317668.db2.gz QWDFHPCBKGVKGI-CZUORRHYSA-N -1 0 322.361 -0.161 20 0 DBADRM CN(Cc1nccn1C)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001604194736 1018318087 /nfs/dbraw/zinc/31/80/87/1018318087.db2.gz DVGYKLCWKCCAQA-UHFFFAOYSA-N -1 0 304.306 -0.061 20 0 DBADRM CN1C(=O)CN(CC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)C1=O ZINC001604196130 1018318361 /nfs/dbraw/zinc/31/83/61/1018318361.db2.gz JUKWNSCQUMWSLH-GFCCVEGCSA-N -1 0 323.280 -0.038 20 0 DBADRM CN(Cc1cnn(C)c1)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001604197265 1018318400 /nfs/dbraw/zinc/31/84/00/1018318400.db2.gz PRMDZCBFSFOJBM-CQSZACIVSA-N -1 0 308.338 -0.298 20 0 DBADRM CN1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CCC1=O ZINC001604200697 1018319855 /nfs/dbraw/zinc/31/98/55/1018319855.db2.gz GBKCZBMOQOZWPQ-ZJUUUORDSA-N -1 0 311.338 -0.953 20 0 DBADRM C[C@](CO)(NS(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1)C(=O)[O-] ZINC001604199203 1018321092 /nfs/dbraw/zinc/32/10/92/1018321092.db2.gz VQUMWBPWUZOKEH-CKYFFXLPSA-N -1 0 307.368 -0.301 20 0 DBADRM C[C@@H](CS(=O)(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1)C(=O)[O-] ZINC001604207002 1018322158 /nfs/dbraw/zinc/32/21/58/1018322158.db2.gz VTSSZZBEQSPMAZ-XHNCKOQMSA-N -1 0 313.397 -0.456 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCC[C@H]2CCNC(=O)[C@H]21)C(=O)[O-] ZINC001604206398 1018322212 /nfs/dbraw/zinc/32/22/12/1018322212.db2.gz JJROWYINEUUBOW-UTLUCORTSA-N -1 0 304.368 -0.363 20 0 DBADRM CN1CC[C@H]1CNC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001604209727 1018322572 /nfs/dbraw/zinc/32/25/72/1018322572.db2.gz HJEDPTXTHVSXLV-LBPRGKRZSA-N -1 0 311.382 -0.090 20 0 DBADRM C[C@@H](CS(=O)(=O)NC[C@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC001604210614 1018322981 /nfs/dbraw/zinc/32/29/81/1018322981.db2.gz XYRNNBZTNXDSSE-DTWKUNHWSA-N -1 0 307.372 -0.583 20 0 DBADRM C[C@H](CS(=O)(=O)NC[C@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC001604210616 1018323016 /nfs/dbraw/zinc/32/30/16/1018323016.db2.gz XYRNNBZTNXDSSE-RKDXNWHRSA-N -1 0 307.372 -0.583 20 0 DBADRM C[C@@H](CS(=O)(=O)NCCCCS(C)(=O)=O)C(=O)[O-] ZINC001604210650 1018323579 /nfs/dbraw/zinc/32/35/79/1018323579.db2.gz YNEVDAGNHLWNPY-QMMMGPOBSA-N -1 0 301.386 -0.549 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001604210540 1018323756 /nfs/dbraw/zinc/32/37/56/1018323756.db2.gz HTLCIIBDGMUGJV-QMMMGPOBSA-N -1 0 315.413 -0.208 20 0 DBADRM C[C@H](CS(=O)(=O)N1CCc2c(=O)[nH]cnc2C1)C(=O)[O-] ZINC001604209638 1018323973 /nfs/dbraw/zinc/32/39/73/1018323973.db2.gz JHJILQQHMFUVMS-SSDOTTSWSA-N -1 0 301.324 -0.409 20 0 DBADRM CN1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)CCC1=O ZINC001604221006 1018324526 /nfs/dbraw/zinc/32/45/26/1018324526.db2.gz NUSIPKQOYCOPPS-UHFFFAOYSA-N -1 0 307.306 -0.763 20 0 DBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001604211857 1018326343 /nfs/dbraw/zinc/32/63/43/1018326343.db2.gz YFNZXGYCLATWCK-OUJBWJOFSA-N -1 0 319.379 -0.383 20 0 DBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)C1 ZINC001604249013 1018332018 /nfs/dbraw/zinc/33/20/18/1018332018.db2.gz CVXUORRPNNASLQ-UFBFGSQYSA-N -1 0 304.368 -0.363 20 0 DBADRM CN1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)[C@@H](CO)C1 ZINC001604221481 1018327416 /nfs/dbraw/zinc/32/74/16/1018327416.db2.gz SFBSXEDRBLNICL-GFCCVEGCSA-N -1 0 308.334 -0.102 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001604214365 1018327830 /nfs/dbraw/zinc/32/78/30/1018327830.db2.gz MCRMCUFLDBRIPA-DYCLVXDSSA-N -1 0 304.368 -0.807 20 0 DBADRM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001604231874 1018328870 /nfs/dbraw/zinc/32/88/70/1018328870.db2.gz ISNIHCFPOMWWGR-GUBZILKMSA-N -1 0 319.383 -0.716 20 0 DBADRM CNC(=O)NC[C@@H]1CN(C(=O)C2(C(=O)[O-])CC=CC2)CCO1 ZINC001604241099 1018329072 /nfs/dbraw/zinc/32/90/72/1018329072.db2.gz SDXKJFNOBNSUST-SNVBAGLBSA-N -1 0 311.338 -0.436 20 0 DBADRM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001604231852 1018329115 /nfs/dbraw/zinc/32/91/15/1018329115.db2.gz ISNIHCFPOMWWGR-AEJSXWLSSA-N -1 0 319.383 -0.716 20 0 DBADRM CCCOCC(=O)N[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001604229887 1018330403 /nfs/dbraw/zinc/33/04/03/1018330403.db2.gz CNHGOFJKRSBEBQ-SECBINFHSA-N -1 0 320.357 -0.578 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001604231773 1018330845 /nfs/dbraw/zinc/33/08/45/1018330845.db2.gz HNLXBYSKGCQOLW-AEJSXWLSSA-N -1 0 313.354 -0.804 20 0 DBADRM C[C@](Cn1cnc2ccccc21)(NC(=O)[C@@H]1CC(=O)N1)C(=O)[O-] ZINC001604246827 1018331448 /nfs/dbraw/zinc/33/14/48/1018331448.db2.gz JEXCSXPXBRNCGJ-ZUZCIYMTSA-N -1 0 316.317 -0.116 20 0 DBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001604248429 1018331848 /nfs/dbraw/zinc/33/18/48/1018331848.db2.gz DFJBVDMBPMVONZ-IINYFYTJSA-N -1 0 323.353 -0.504 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)CNCC(F)(F)F)C(=O)[O-] ZINC001604243265 1018331860 /nfs/dbraw/zinc/33/18/60/1018331860.db2.gz PCGUBLSLQOQBNC-SNVBAGLBSA-N -1 0 308.260 -0.006 20 0 DBADRM C[C@@](Cn1cnc2ccccc21)(NC(=O)[C@H]1CC(=O)N1)C(=O)[O-] ZINC001604246824 1018331890 /nfs/dbraw/zinc/33/18/90/1018331890.db2.gz JEXCSXPXBRNCGJ-BMIGLBTASA-N -1 0 316.317 -0.116 20 0 DBADRM C[C@@H](Cc1cnn(C)c1)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001604243499 1018332082 /nfs/dbraw/zinc/33/20/82/1018332082.db2.gz QHWFYXQYELPSKR-ZETCQYMHSA-N -1 0 313.339 -0.249 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)CCn1cnccc1=O)C(=O)[O-] ZINC001604243955 1018332289 /nfs/dbraw/zinc/33/22/89/1018332289.db2.gz VPIFEDKWTORKNA-CQSZACIVSA-N -1 0 319.321 -0.510 20 0 DBADRM C[C@](Cn1cnc2ccccc21)(NC(=O)[C@H]1CC(=O)N1)C(=O)[O-] ZINC001604246826 1018332661 /nfs/dbraw/zinc/33/26/61/1018332661.db2.gz JEXCSXPXBRNCGJ-MEBBXXQBSA-N -1 0 316.317 -0.116 20 0 DBADRM CNC(=O)Cc1ccccc1NC(=O)C(=O)N[C@H](C)CC(=O)[O-] ZINC001604241518 1018332673 /nfs/dbraw/zinc/33/26/73/1018332673.db2.gz YSQQLIRJFCANCF-SECBINFHSA-N -1 0 321.333 -0.107 20 0 DBADRM C[C@@](Cn1cccn1)(NC(=O)CN1CSCC1=O)C(=O)[O-] ZINC001604243269 1018332733 /nfs/dbraw/zinc/33/27/33/1018332733.db2.gz PDZHQXQNDJKCDF-LBPRGKRZSA-N -1 0 312.351 -0.625 20 0 DBADRM CNS(=O)(=O)c1ccc(CCNC(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001604248600 1018332791 /nfs/dbraw/zinc/33/27/91/1018332791.db2.gz ICZRPJSEOVDIEN-SECBINFHSA-N -1 0 314.363 -0.026 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@](C)(OC)C(=O)[O-])C1 ZINC001604249971 1018333527 /nfs/dbraw/zinc/33/35/27/1018333527.db2.gz VPZJUCQTBOJYDB-SKDRFNHKSA-N -1 0 322.383 -0.736 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)c1ccc[nH]1 ZINC001604256739 1018333864 /nfs/dbraw/zinc/33/38/64/1018333864.db2.gz SPSGOMIUAXZCAS-AEJSXWLSSA-N -1 0 309.322 -0.514 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1 ZINC001604249589 1018334058 /nfs/dbraw/zinc/33/40/58/1018334058.db2.gz NJZXLSMJBFQPDT-SSDOTTSWSA-N -1 0 316.339 -0.738 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C1(CO)CC1 ZINC001604260116 1018334506 /nfs/dbraw/zinc/33/45/06/1018334506.db2.gz BDQFCQIRGALWPS-ZETCQYMHSA-N -1 0 310.310 -0.666 20 0 DBADRM CNS(=O)(=O)C1CCN(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC001604249406 1018334796 /nfs/dbraw/zinc/33/47/96/1018334796.db2.gz JXOZXIPLCVQAIE-QMMMGPOBSA-N -1 0 307.372 -0.570 20 0 DBADRM C[C@H](NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)c1ccc[nH]1 ZINC001604256741 1018335453 /nfs/dbraw/zinc/33/54/53/1018335453.db2.gz SPSGOMIUAXZCAS-IVZWLZJFSA-N -1 0 309.322 -0.514 20 0 DBADRM CCN(C)C(=O)COC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604267986 1018336332 /nfs/dbraw/zinc/33/63/32/1018336332.db2.gz FVMJWLFIYATCCO-ZETCQYMHSA-N -1 0 308.302 -0.959 20 0 DBADRM COC(=O)[C@@](C)(Cn1cccn1)NC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001604262359 1018336524 /nfs/dbraw/zinc/33/65/24/1018336524.db2.gz FBSYLQLBWYEGOA-CYBMUJFWSA-N -1 0 321.293 -0.334 20 0 DBADRM COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001604267366 1018337082 /nfs/dbraw/zinc/33/70/82/1018337082.db2.gz GWAWBGIMRPPZGU-UJNFCWOMSA-N -1 0 314.294 -0.557 20 0 DBADRM COC(=O)[C@@H](Cn1cncn1)NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001604267908 1018337100 /nfs/dbraw/zinc/33/71/00/1018337100.db2.gz PKJDTNPPGJPUPN-GHMZBOCLSA-N -1 0 324.337 -0.173 20 0 DBADRM COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001604268080 1018337118 /nfs/dbraw/zinc/33/71/18/1018337118.db2.gz QUUNRWHZWBNMAM-RXMQYKEDSA-N -1 0 324.215 -0.414 20 0 DBADRM C[C@H](NC(=O)C(=O)Nc1ccsc1C(=O)[O-])c1nnnn1C ZINC001604262618 1018337393 /nfs/dbraw/zinc/33/73/93/1018337393.db2.gz GYERMTMWMKTIPT-YFKPBYRVSA-N -1 0 324.322 -0.214 20 0 DBADRM C[C@@H](NC(=O)C1=COCCO1)[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604265014 1018337837 /nfs/dbraw/zinc/33/78/37/1018337837.db2.gz SBJWFYMYKFXXEN-RKDXNWHRSA-N -1 0 322.321 -0.210 20 0 DBADRM COC(=O)C(C)(C)n1ccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)n1 ZINC001604262640 1018338290 /nfs/dbraw/zinc/33/82/90/1018338290.db2.gz JYJMKNMBHAPMEX-QMMMGPOBSA-N -1 0 324.293 -0.041 20 0 DBADRM CCN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC001604274009 1018338738 /nfs/dbraw/zinc/33/87/38/1018338738.db2.gz DENLYRDXUPYLOO-UHFFFAOYSA-N -1 0 312.311 -0.643 20 0 DBADRM C[C@H](NC(=O)CN1CCSC[C@@H](C(=O)[O-])C1)C(=O)N(C)C ZINC001604274980 1018338766 /nfs/dbraw/zinc/33/87/66/1018338766.db2.gz IGLPLNKJVJFRFA-UWVGGRQHSA-N -1 0 317.411 -0.671 20 0 DBADRM C[C@@H](NC(=O)Cc1cc[nH]n1)[C@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001604277196 1018340482 /nfs/dbraw/zinc/34/04/82/1018340482.db2.gz JGVSDFKUBBNKCC-DTWKUNHWSA-N -1 0 318.337 -0.132 20 0 DBADRM COC(=O)C12CC(C1)CN2C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604275660 1018340684 /nfs/dbraw/zinc/34/06/84/1018340684.db2.gz HAECFPPTRGGIJA-VOZQYIJBSA-N -1 0 324.333 -0.526 20 0 DBADRM C[C@@H](NC(=O)CN[C@@H](C(=O)[O-])c1cccc(O)c1)C(=O)N(C)C ZINC001604272962 1018340865 /nfs/dbraw/zinc/34/08/65/1018340865.db2.gz JKWDBBSFWNNSKS-NOZJJQNGSA-N -1 0 323.349 -0.300 20 0 DBADRM C[C@@H](NC(=O)NCCOCC(=O)[O-])[C@H](C)N1CCOCC1 ZINC001604287753 1018343205 /nfs/dbraw/zinc/34/32/05/1018343205.db2.gz POHWIGUMIACVIP-MNOVXSKESA-N -1 0 303.359 -0.504 20 0 DBADRM C[C@H](NC(=O)NCCOCC(=O)[O-])C1(S(C)(=O)=O)CC1 ZINC001604288416 1018343324 /nfs/dbraw/zinc/34/33/24/1018343324.db2.gz ZYMCOWCAOXKFRM-QMMMGPOBSA-N -1 0 308.356 -0.648 20 0 DBADRM COC(=O)C1CC2(C1)C[C@H](NC(=O)COCC(=O)[O-])CCO2 ZINC001604289990 1018343624 /nfs/dbraw/zinc/34/36/24/1018343624.db2.gz LDDLXTAOWCPOHH-OPASDULOSA-N -1 0 315.322 -0.295 20 0 DBADRM C[C@H]([C@H](C)NC(=O)NCCOCC(=O)[O-])N1CCOCC1 ZINC001604287755 1018344458 /nfs/dbraw/zinc/34/44/58/1018344458.db2.gz POHWIGUMIACVIP-WDEREUQCSA-N -1 0 303.359 -0.504 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001604293045 1018345770 /nfs/dbraw/zinc/34/57/70/1018345770.db2.gz PXGHJDYKGQBOFX-QMMMGPOBSA-N -1 0 319.335 -0.960 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)CNC(=O)c1ccccn1 ZINC001604303534 1018346229 /nfs/dbraw/zinc/34/62/29/1018346229.db2.gz PWWQTKAAVINWTP-UHFFFAOYSA-N -1 0 323.305 -0.712 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C2(C(=O)[O-])CCOCC2)CCO1 ZINC001604292876 1018346526 /nfs/dbraw/zinc/34/65/26/1018346526.db2.gz NINAPFHVCJZFJU-SECBINFHSA-N -1 0 301.295 -0.732 20 0 DBADRM CCN(CCCO)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604301929 1018346861 /nfs/dbraw/zinc/34/68/61/1018346861.db2.gz MEPCZCVBGFKAJV-UHFFFAOYSA-N -1 0 301.328 -0.147 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001604303315 1018347338 /nfs/dbraw/zinc/34/73/38/1018347338.db2.gz MODDJFVBJYFBCU-VIFPVBQESA-N -1 0 315.326 -0.747 20 0 DBADRM COC(=O)[C@@H]1CSCCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001604293902 1018347488 /nfs/dbraw/zinc/34/74/88/1018347488.db2.gz ZTNLZFBWMJXYME-JGVFFNPUSA-N -1 0 302.308 -0.667 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001604304112 1018348540 /nfs/dbraw/zinc/34/85/40/1018348540.db2.gz KXTJTXWBDNDTFG-RKDXNWHRSA-N -1 0 308.356 -0.336 20 0 DBADRM COC(=O)C[C@H]1CS(=O)(=O)CCN1[C@@H](C(=O)[O-])C1CC1 ZINC001604303949 1018348621 /nfs/dbraw/zinc/34/86/21/1018348621.db2.gz HCRGFIKOBHFMOT-GXSJLCMTSA-N -1 0 305.352 -0.488 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001604307123 1018348700 /nfs/dbraw/zinc/34/87/00/1018348700.db2.gz ZPTNALKTBWXOKQ-BDAKNGLRSA-N -1 0 300.311 -0.636 20 0 DBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001604313529 1018349439 /nfs/dbraw/zinc/34/94/39/1018349439.db2.gz NLDUDUMFWVLGNW-LDYMZIIASA-N -1 0 320.305 -0.067 20 0 DBADRM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001604306945 1018349923 /nfs/dbraw/zinc/34/99/23/1018349923.db2.gz KIHIRYMIOHAGAM-XCBNKYQSSA-N -1 0 320.305 -0.757 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CCCN1C(C)=O ZINC001604306602 1018350395 /nfs/dbraw/zinc/35/03/95/1018350395.db2.gz SEAQNQIFSHBFLJ-SNVBAGLBSA-N -1 0 300.311 -0.526 20 0 DBADRM COC(=O)CC[C@H](NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)C(=O)[O-] ZINC001604318296 1018351387 /nfs/dbraw/zinc/35/13/87/1018351387.db2.gz RWGJQNOCFLTIST-BBBLOLIVSA-N -1 0 314.338 -0.199 20 0 DBADRM COC(=O)CCNC(=O)CCNC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001604318040 1018351537 /nfs/dbraw/zinc/35/15/37/1018351537.db2.gz MAEDZWANEZWXNW-LLVKDONJSA-N -1 0 316.354 -0.081 20 0 DBADRM COC(=O)CC[C@H](NC(=O)CS(=O)(=O)C1CC1)C(=O)[O-] ZINC001604321333 1018351876 /nfs/dbraw/zinc/35/18/76/1018351876.db2.gz SXQPDCDHVPRSEC-QMMMGPOBSA-N -1 0 307.324 -0.914 20 0 DBADRM COC(=O)CC[C@H](NC(=O)Cn1cc(C2CC2)nn1)C(=O)[O-] ZINC001604321097 1018353121 /nfs/dbraw/zinc/35/31/21/1018353121.db2.gz QQNUEOGAHPWMJT-VIFPVBQESA-N -1 0 310.310 -0.322 20 0 DBADRM COC(=O)CC[C@H](NS(=O)(=O)C[C@H](OC)C1CC1)C(=O)[O-] ZINC001604321654 1018353325 /nfs/dbraw/zinc/35/33/25/1018353325.db2.gz BCPNQVYCBHUIHO-UWVGGRQHSA-N -1 0 323.367 -0.263 20 0 DBADRM C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1nccc(N)n1 ZINC001604349831 1018354239 /nfs/dbraw/zinc/35/42/39/1018354239.db2.gz BYEUNHGGOQFHMX-SSDOTTSWSA-N -1 0 303.344 -0.639 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)NCCc1ccccc1C(=O)[O-] ZINC001604358656 1018358741 /nfs/dbraw/zinc/35/87/41/1018358741.db2.gz PAFZJRGNXWNUPF-SECBINFHSA-N -1 0 314.363 -0.019 20 0 DBADRM C[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@H]1CN(C)CCO1 ZINC001604354077 1018358756 /nfs/dbraw/zinc/35/87/56/1018358756.db2.gz KRURTEXIONNWFX-VXNVDRBHSA-N -1 0 318.355 -0.895 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001604357967 1018359147 /nfs/dbraw/zinc/35/91/47/1018359147.db2.gz HZDBRZNUKOEDFQ-ZETCQYMHSA-N -1 0 301.324 -0.666 20 0 DBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)[C@H](O)C(F)(F)F ZINC001604353770 1018359496 /nfs/dbraw/zinc/35/94/96/1018359496.db2.gz CWBLWAVEPWLAAT-CVYQJGLWSA-N -1 0 317.245 -0.302 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001604358299 1018359906 /nfs/dbraw/zinc/35/99/06/1018359906.db2.gz MVBZYAUDZWYLPO-AEJSXWLSSA-N -1 0 322.383 -0.690 20 0 DBADRM C[C@](O)(CNC(=O)c1ccnc(NC(=O)C2CC2)c1)C(=O)[O-] ZINC001604373163 1018361139 /nfs/dbraw/zinc/36/11/39/1018361139.db2.gz DVQZYDNSRGBVJO-AWEZNQCLSA-N -1 0 307.306 -0.005 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001604361956 1018361591 /nfs/dbraw/zinc/36/15/91/1018361591.db2.gz XLTXITNWRFXATF-YIZRAAEISA-N -1 0 306.340 -0.679 20 0 DBADRM CCOC(=O)[C@H](CC)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001604361090 1018361671 /nfs/dbraw/zinc/36/16/71/1018361671.db2.gz DZZXEPJEAXQIJU-MRVPVSSYSA-N -1 0 322.329 -0.836 20 0 DBADRM COC(=O)c1cc(C(=O)NCCOCCOCC(=O)[O-])c[nH]1 ZINC001604369154 1018361906 /nfs/dbraw/zinc/36/19/06/1018361906.db2.gz MCQVXPVDQNNBPY-UHFFFAOYSA-N -1 0 314.294 -0.351 20 0 DBADRM CCOC(=O)[C@@H](CC)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001604361113 1018362041 /nfs/dbraw/zinc/36/20/41/1018362041.db2.gz DZZXEPJEAXQIJU-QMMMGPOBSA-N -1 0 322.329 -0.836 20 0 DBADRM COC(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)on1 ZINC001604369453 1018363322 /nfs/dbraw/zinc/36/33/22/1018363322.db2.gz RELKGMKMIQSCOV-SECBINFHSA-N -1 0 308.250 -0.250 20 0 DBADRM C[C@@H](O)C(C)(C)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001604377217 1018365133 /nfs/dbraw/zinc/36/51/33/1018365133.db2.gz CCQMFJMZTVISEX-ZJUUUORDSA-N -1 0 300.355 -0.167 20 0 DBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C1 ZINC001604379801 1018365395 /nfs/dbraw/zinc/36/53/95/1018365395.db2.gz HZASLBMDLPBCHP-VEABSNGSSA-N -1 0 312.366 -0.215 20 0 DBADRM C[C@H](O)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CCO1 ZINC001604379463 1018365496 /nfs/dbraw/zinc/36/54/96/1018365496.db2.gz FAPYARXIZOVTAQ-IONNQARKSA-N -1 0 305.308 -0.252 20 0 DBADRM C[C@](O)(CNC(=O)c1ccnc(O[C@H]2CCOC2)c1)C(=O)[O-] ZINC001604373644 1018365511 /nfs/dbraw/zinc/36/55/11/1018365511.db2.gz YKSAPDXSNOJHGG-HZMBPMFUSA-N -1 0 310.306 -0.185 20 0 DBADRM C[C@@H](O)C(=O)N1CCN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC001604378604 1018365602 /nfs/dbraw/zinc/36/56/02/1018365602.db2.gz OIMWNMHBZDIHMX-SECBINFHSA-N -1 0 324.337 -0.220 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCO[C@@H]([C@H](C)O)C1 ZINC001604379827 1018365715 /nfs/dbraw/zinc/36/57/15/1018365715.db2.gz IDFAQBRMGDUWGP-NTZNESFSSA-N -1 0 314.382 -0.220 20 0 DBADRM CC(C)(C)N1CCC[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])C1=O ZINC001604373459 1018365733 /nfs/dbraw/zinc/36/57/33/1018365733.db2.gz HATKKNXYYIJGNW-YMTOWFKASA-N -1 0 300.355 -0.025 20 0 DBADRM C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)C1 ZINC001604379706 1018366314 /nfs/dbraw/zinc/36/63/14/1018366314.db2.gz HJDVPOWJUNDFFY-NNYUYHANSA-N -1 0 312.366 -0.073 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC001604373621 1018366339 /nfs/dbraw/zinc/36/63/39/1018366339.db2.gz WEXGAKGMVSOQDL-GFCCVEGCSA-N -1 0 319.310 -0.205 20 0 DBADRM C[C@@](O)(CNC(=O)c1ccnc(O[C@H]2CCOC2)c1)C(=O)[O-] ZINC001604373645 1018366505 /nfs/dbraw/zinc/36/65/05/1018366505.db2.gz YKSAPDXSNOJHGG-IINYFYTJSA-N -1 0 310.306 -0.185 20 0 DBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001604380618 1018367739 /nfs/dbraw/zinc/36/77/39/1018367739.db2.gz VOYVYKBJPHTUCY-ISVAXAHUSA-N -1 0 321.333 -0.077 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])n[nH]1 ZINC001604382439 1018368105 /nfs/dbraw/zinc/36/81/05/1018368105.db2.gz MVWCSQWYWASOHC-SSDOTTSWSA-N -1 0 319.339 -0.026 20 0 DBADRM C[C@@H](O)CN(C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1)C1CC1 ZINC001604384303 1018368179 /nfs/dbraw/zinc/36/81/79/1018368179.db2.gz QFZOFMMPTWPWIC-KOLCDFICSA-N -1 0 314.338 -0.940 20 0 DBADRM C[C@@H](O)CN(CCO)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001604387544 1018372236 /nfs/dbraw/zinc/37/22/36/1018372236.db2.gz WMQLPGSGICABCF-ZCFIWIBFSA-N -1 0 310.353 -0.795 20 0 DBADRM C[C@H](O)CN(C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)C1CC1 ZINC001604386865 1018368860 /nfs/dbraw/zinc/36/88/60/1018368860.db2.gz OBLJDFMSEZAFLC-OFYUCFFLSA-N -1 0 310.350 -0.272 20 0 DBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001604387127 1018369298 /nfs/dbraw/zinc/36/92/98/1018369298.db2.gz RYDFUEKQFZHSDS-ZJUUUORDSA-N -1 0 324.333 -0.087 20 0 DBADRM C[C@H](O)CN(CC(F)F)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001604386216 1018369462 /nfs/dbraw/zinc/36/94/62/1018369462.db2.gz DXPCLINGWZNFIH-DTWKUNHWSA-N -1 0 322.308 -0.216 20 0 DBADRM COC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])o1 ZINC001604390484 1018370379 /nfs/dbraw/zinc/37/03/79/1018370379.db2.gz WDAROEZZOIHWRE-JTQLQIEISA-N -1 0 307.280 -0.820 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)nn1 ZINC001604389706 1018370548 /nfs/dbraw/zinc/37/05/48/1018370548.db2.gz ZVCLFKGXFQUYAG-QPUJVOFHSA-N -1 0 312.326 -0.985 20 0 DBADRM C[C@@H](O)CN(C(=O)CCCn1ccc(C(=O)[O-])n1)[C@H](C)CO ZINC001604387627 1018372069 /nfs/dbraw/zinc/37/20/69/1018372069.db2.gz ZCGAEIVDMIILAU-GHMZBOCLSA-N -1 0 313.354 -0.048 20 0 DBADRM C[C@@H](OC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)C(=O)[O-] ZINC001604401683 1018372247 /nfs/dbraw/zinc/37/22/47/1018372247.db2.gz JRWSPSGWZHBYDJ-SSDOTTSWSA-N -1 0 323.257 -0.270 20 0 DBADRM C[C@H](OC(=O)CCNC(=O)C(C)(C)C)C(=O)NCC(=O)[O-] ZINC001604397983 1018372539 /nfs/dbraw/zinc/37/25/39/1018372539.db2.gz OHECPTBAGPHAHH-QMMMGPOBSA-N -1 0 302.327 -0.329 20 0 DBADRM COC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])n1 ZINC001604400215 1018372683 /nfs/dbraw/zinc/37/26/83/1018372683.db2.gz UQNSMDWVKKLIFQ-ZETCQYMHSA-N -1 0 309.278 -0.214 20 0 DBADRM C[C@@H](OC(=O)Cn1cc(C(=O)[O-])cn1)C(=O)N1CCOCC1 ZINC001604404352 1018373594 /nfs/dbraw/zinc/37/35/94/1018373594.db2.gz DMPXIQINMFJDAE-SECBINFHSA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)c1ncoc1COCC(=O)NC(C)(C)C(=O)[O-] ZINC001604410977 1018374360 /nfs/dbraw/zinc/37/43/60/1018374360.db2.gz LVDIWIBCBKLGQH-UHFFFAOYSA-N -1 0 300.267 -0.043 20 0 DBADRM COC(=O)c1[nH]cnc1NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604410787 1018374964 /nfs/dbraw/zinc/37/49/64/1018374964.db2.gz FNYXNWBNHBTMRL-SSDOTTSWSA-N -1 0 324.293 -0.542 20 0 DBADRM COC(=O)c1cncc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC001604403514 1018375097 /nfs/dbraw/zinc/37/50/97/1018375097.db2.gz RUFCGBGMBIMANX-JTQLQIEISA-N -1 0 321.289 -0.118 20 0 DBADRM CCOC(Cn1cnc2ncc(-c3nnn[n-]3)c(=O)n21)OCC ZINC001604405105 1018375873 /nfs/dbraw/zinc/37/58/73/1018375873.db2.gz URVCWICCPHIWIZ-UHFFFAOYSA-N -1 0 320.313 -0.530 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001604422884 1018376920 /nfs/dbraw/zinc/37/69/20/1018376920.db2.gz UXUUGWQZMUTAHN-ZJUUUORDSA-N -1 0 320.367 -0.888 20 0 DBADRM C[C@H](OC(=O)c1cnn(C)c1-n1cccc1)C(=O)NCC(=O)[O-] ZINC001604416679 1018377145 /nfs/dbraw/zinc/37/71/45/1018377145.db2.gz AWBKHMBEILRFKE-VIFPVBQESA-N -1 0 320.305 -0.043 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC001604421659 1018377554 /nfs/dbraw/zinc/37/75/54/1018377554.db2.gz LLMMFUPMUJNYTL-VXGBXAGGSA-N -1 0 316.354 -0.964 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC001604422248 1018377586 /nfs/dbraw/zinc/37/75/86/1018377586.db2.gz QSRNTUJRNHEEOW-LBPRGKRZSA-N -1 0 322.317 -0.224 20 0 DBADRM C[C@@H](OCC(=O)NCCn1cc(C(=O)[O-])nn1)c1nccn1C ZINC001604418666 1018377722 /nfs/dbraw/zinc/37/77/22/1018377722.db2.gz HYTGBVXQCHVHDC-SECBINFHSA-N -1 0 322.325 -0.396 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)NC(c1nccn1C)c1nccn1C ZINC001604422896 1018377877 /nfs/dbraw/zinc/37/78/77/1018377877.db2.gz ABSGTCRDGPDQHU-SECBINFHSA-N -1 0 307.310 -0.541 20 0 DBADRM CO[C@@H](C(=O)[O-])C(=O)N1CSC[C@H]1C(=O)N1CCCC1 ZINC001604423719 1018377996 /nfs/dbraw/zinc/37/79/96/1018377996.db2.gz HNCRRARNKNJQFX-DTWKUNHWSA-N -1 0 302.352 -0.390 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)c2cccnc2)CC1 ZINC001604421982 1018378251 /nfs/dbraw/zinc/37/82/51/1018378251.db2.gz OMWBDAVMTLOQAW-NSHDSACASA-N -1 0 307.306 -0.534 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)NCCNS(=O)(=O)c1cccs1 ZINC001604432657 1018380485 /nfs/dbraw/zinc/38/04/85/1018380485.db2.gz UQTUBXSTAQFNPA-QMMMGPOBSA-N -1 0 322.364 -0.758 20 0 DBADRM CCO[N-]C(=O)CNC(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC001604437954 1018380834 /nfs/dbraw/zinc/38/08/34/1018380834.db2.gz LYVHQEXRPOSKDE-UHFFFAOYSA-N -1 0 308.273 -0.197 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CC(CNC(=O)C(F)(F)F)C1 ZINC001604451351 1018383429 /nfs/dbraw/zinc/38/34/29/1018383429.db2.gz UEFBDIRDVLRSQM-JTQLQIEISA-N -1 0 312.244 -0.387 20 0 DBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CC2(C1)CC(=O)Nc1nccn12 ZINC001604451107 1018383941 /nfs/dbraw/zinc/38/39/41/1018383941.db2.gz PXPMJKOJKHKPTN-LBPRGKRZSA-N -1 0 308.294 -0.748 20 0 DBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC001604454830 1018384521 /nfs/dbraw/zinc/38/45/21/1018384521.db2.gz FXQXJUXMZBTZFW-LLVKDONJSA-N -1 0 307.368 -0.193 20 0 DBADRM C[C@H](Sc1nncn1C)C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001604460194 1018384554 /nfs/dbraw/zinc/38/45/54/1018384554.db2.gz ZZHKJFUGAGBUGK-WRWORJQWSA-N -1 0 300.340 -0.344 20 0 DBADRM C[C@@H](c1nnnn1C)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001604480663 1018387135 /nfs/dbraw/zinc/38/71/35/1018387135.db2.gz LLLNHQRKGVXCIP-IUCAKERBSA-N -1 0 306.330 -0.102 20 0 DBADRM CO[C@H](C)CS(=O)(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001604471550 1018387929 /nfs/dbraw/zinc/38/79/29/1018387929.db2.gz ACYPCGMAXDZYLS-NXEZZACHSA-N -1 0 322.383 -0.594 20 0 DBADRM CO[C@@H]([C@@H](C)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C1CC1 ZINC001604471682 1018388310 /nfs/dbraw/zinc/38/83/10/1018388310.db2.gz XFHJEAWHLUPUNE-PELKAZGASA-N -1 0 324.337 -0.164 20 0 DBADRM C[C@]1(C(=O)Nc2ccn(CC(=O)[O-])n2)CCCS1(=O)=O ZINC001604490203 1018389040 /nfs/dbraw/zinc/38/90/40/1018389040.db2.gz PQEOUWWOCRPPBC-LLVKDONJSA-N -1 0 301.324 -0.127 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1ccsc1-c1nnn[n-]1)C(N)=O ZINC001604484893 1018389879 /nfs/dbraw/zinc/38/98/79/1018389879.db2.gz ADNSEAXTDIMCSN-RXMQYKEDSA-N -1 0 316.368 -0.530 20 0 DBADRM C[C@]1(C(=O)NCC(=O)NCC(=O)[O-])CC(c2ccccc2)=NO1 ZINC001604486455 1018390279 /nfs/dbraw/zinc/39/02/79/1018390279.db2.gz ITEJKBNADCSTNR-OAHLLOKOSA-N -1 0 319.317 -0.113 20 0 DBADRM CO[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001604498410 1018391631 /nfs/dbraw/zinc/39/16/31/1018391631.db2.gz GBFDZQFCJGKHLR-BDAKNGLRSA-N -1 0 310.310 -0.410 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)NCC(=O)N=S(C)(C)=O)C1 ZINC001604499120 1018392033 /nfs/dbraw/zinc/39/20/33/1018392033.db2.gz QHVIGUNMNBQQJU-NSHDSACASA-N -1 0 305.356 -0.253 20 0 DBADRM CO[C@]1(C[NH2+]Cc2cc(C(=O)[O-])nn2C)CCS(=O)(=O)C1 ZINC001604492063 1018392172 /nfs/dbraw/zinc/39/21/72/1018392172.db2.gz XWXLYJJINLWBIY-LBPRGKRZSA-N -1 0 317.367 -0.588 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)C1 ZINC001604490651 1018393464 /nfs/dbraw/zinc/39/34/64/1018393464.db2.gz WQKBQGFGEGOURK-ONERCXAPSA-N -1 0 310.350 -0.460 20 0 DBADRM COC[C@](C)(O)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001604507840 1018394532 /nfs/dbraw/zinc/39/45/32/1018394532.db2.gz RLGKSVKQMWEWBL-OCDLOGQDSA-N -1 0 301.339 -0.088 20 0 DBADRM CC1(C)C[C@](C)(NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C(=O)O1 ZINC001604514072 1018394691 /nfs/dbraw/zinc/39/46/91/1018394691.db2.gz JKODTIAKOCCGPA-NSHDSACASA-N -1 0 317.323 -0.130 20 0 DBADRM COC[C@@](C)(O)CCNC(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001604507632 1018394800 /nfs/dbraw/zinc/39/48/00/1018394800.db2.gz KLEHNUAGWIKZHP-KBPBESRZSA-N -1 0 318.370 -0.093 20 0 DBADRM CC1(C)C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CCO1 ZINC001604513691 1018395244 /nfs/dbraw/zinc/39/52/44/1018395244.db2.gz VJDIFTVVDZYCBR-NXEZZACHSA-N -1 0 319.379 -0.098 20 0 DBADRM COCC(=O)N(C)CC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001604504544 1018395253 /nfs/dbraw/zinc/39/52/53/1018395253.db2.gz BZQGHYSDMUEBBG-UHFFFAOYSA-N -1 0 302.327 -0.911 20 0 DBADRM CC1(C)CC(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001604512662 1018395308 /nfs/dbraw/zinc/39/53/08/1018395308.db2.gz XUHCEFNGKYERLU-UHFFFAOYSA-N -1 0 317.323 -0.338 20 0 DBADRM CC1(C)CC(NC(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC001604515565 1018395589 /nfs/dbraw/zinc/39/55/89/1018395589.db2.gz MDHFYKWLLSNRJT-NSHDSACASA-N -1 0 312.366 -0.025 20 0 DBADRM CC1(C)C[C@@H](S(=O)(=O)N[C@H](CC2OCCO2)C(=O)[O-])CO1 ZINC001604519541 1018396304 /nfs/dbraw/zinc/39/63/04/1018396304.db2.gz SPVRNBRLGPRVCZ-RKDXNWHRSA-N -1 0 323.367 -0.311 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(C)(F)C2)C1 ZINC001604524005 1018396409 /nfs/dbraw/zinc/39/64/09/1018396409.db2.gz ZDIZKJSMCNGQMT-CYBMUJFWSA-N -1 0 302.302 -0.494 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C2=C3CCCN=C3NN2)C1 ZINC001604535764 1018396493 /nfs/dbraw/zinc/39/64/93/1018396493.db2.gz LRAXUTKMGCZSII-CQSZACIVSA-N -1 0 308.338 -0.510 20 0 DBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@]2(C)CCCS2(=O)=O)C1 ZINC001604522947 1018396586 /nfs/dbraw/zinc/39/65/86/1018396586.db2.gz IHSLDHCAMPKYAP-OLZOCXBDSA-N -1 0 319.379 -0.097 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001604535876 1018396761 /nfs/dbraw/zinc/39/67/61/1018396761.db2.gz PGDKHYIUWUQOAF-CQSZACIVSA-N -1 0 319.321 -0.073 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CC23CCC3)C1 ZINC001604523008 1018397272 /nfs/dbraw/zinc/39/72/72/1018397272.db2.gz JSTLKUDBPFXRJR-ZUZCIYMTSA-N -1 0 310.350 -0.005 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)N[C@H]2CCn3ccnc32)CCO1 ZINC001604549094 1018398964 /nfs/dbraw/zinc/39/89/64/1018398964.db2.gz CZSXWXIQXGDXNU-IINYFYTJSA-N -1 0 324.337 -0.161 20 0 DBADRM CC1(C)NC(=O)N(CCN2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C1=O ZINC001604553895 1018399297 /nfs/dbraw/zinc/39/92/97/1018399297.db2.gz IHVXRIGFWZRDBH-AWEZNQCLSA-N -1 0 324.337 -0.378 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)COC[C@@H]2CCCO2)CCO1 ZINC001604551258 1018399709 /nfs/dbraw/zinc/39/97/09/1018399709.db2.gz PRDBXSKWKBMVED-FZMZJTMJSA-N -1 0 317.338 -0.489 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)[C@H]2CCCC(=O)N2C)CCO1 ZINC001604550671 1018399751 /nfs/dbraw/zinc/39/97/51/1018399751.db2.gz KGBQQPPADAJCOY-YGRLFVJLSA-N -1 0 314.338 -0.674 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCCC(=O)N2C)CCO1 ZINC001604550665 1018399985 /nfs/dbraw/zinc/39/99/85/1018399985.db2.gz KGBQQPPADAJCOY-IINYFYTJSA-N -1 0 314.338 -0.674 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)CCc2cncnc2)CCO1 ZINC001604550964 1018400157 /nfs/dbraw/zinc/40/01/57/1018400157.db2.gz MMHJUGGJLQENBM-AWEZNQCLSA-N -1 0 309.322 -0.262 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)CCCC(=O)OC)CCO1 ZINC001604550235 1018400173 /nfs/dbraw/zinc/40/01/73/1018400173.db2.gz GFQQJPUZQHNDSJ-CYBMUJFWSA-N -1 0 303.311 -0.342 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)[C@H]2CCN(C)C(=O)C2)CCO1 ZINC001604550737 1018400430 /nfs/dbraw/zinc/40/04/30/1018400430.db2.gz KUZIWYUYLKORKL-IINYFYTJSA-N -1 0 314.338 -0.817 20 0 DBADRM CC1(C)OCC(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])CO1 ZINC001604560107 1018402063 /nfs/dbraw/zinc/40/20/63/1018402063.db2.gz OKPMPSMNIUJUQT-JTQLQIEISA-N -1 0 314.338 -0.280 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2ccc3n[nH]nc3c2)CCO1 ZINC001604557189 1018402363 /nfs/dbraw/zinc/40/23/63/1018402363.db2.gz FFGFNKGDJVTKKO-AWEZNQCLSA-N -1 0 320.305 -0.100 20 0 DBADRM CC1(C)OC[C@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)O1 ZINC001604558927 1018402503 /nfs/dbraw/zinc/40/25/03/1018402503.db2.gz BLYLZFGCPFOTST-YIZRAAEISA-N -1 0 300.311 -0.767 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)c2ccc3n[nH]nc3c2)CCO1 ZINC001604557193 1018402777 /nfs/dbraw/zinc/40/27/77/1018402777.db2.gz FFGFNKGDJVTKKO-CQSZACIVSA-N -1 0 320.305 -0.100 20 0 DBADRM CC1=C(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)S(=O)(=O)CCO1 ZINC001604608139 1018413387 /nfs/dbraw/zinc/41/33/87/1018413387.db2.gz XRLYHYIBLYBBJB-CBAPKCEASA-N -1 0 303.336 -0.016 20 0 DBADRM C[C@@]1(CC(=O)N2CC[C@@](F)(C(=O)[O-])C2)CCS(=O)(=O)N1 ZINC001604568590 1018404498 /nfs/dbraw/zinc/40/44/98/1018404498.db2.gz FPZKXCYIPITWEP-QWRGUYRKSA-N -1 0 308.331 -0.517 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2conc2C)CCO1 ZINC001604565773 1018405644 /nfs/dbraw/zinc/40/56/44/1018405644.db2.gz YXVIRPSPJZRJHX-NSHDSACASA-N -1 0 320.323 -0.526 20 0 DBADRM COCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1CCOCC1 ZINC001604580719 1018406486 /nfs/dbraw/zinc/40/64/86/1018406486.db2.gz JXUPYBIYLXJUDC-SNVBAGLBSA-N -1 0 316.354 -0.523 20 0 DBADRM C[C@@]1(CCCO)CCCN1C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001604572646 1018406660 /nfs/dbraw/zinc/40/66/60/1018406660.db2.gz LIHLCTWDIDGVLD-HFAKWTLXSA-N -1 0 312.366 -0.023 20 0 DBADRM CC1(CCNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)OCCO1 ZINC001604572680 1018406930 /nfs/dbraw/zinc/40/69/30/1018406930.db2.gz LWQABNWUEYQEIV-ZJUUUORDSA-N -1 0 302.327 -0.384 20 0 DBADRM COCCCS(=O)(=O)NCC(=O)Nc1c[nH]nc1C(=O)[O-] ZINC001604580881 1018407340 /nfs/dbraw/zinc/40/73/40/1018407340.db2.gz QTCBWDMZOOWRJV-UHFFFAOYSA-N -1 0 320.327 -0.998 20 0 DBADRM C[C@@]1(CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)CCC(=O)N1 ZINC001604580156 1018407587 /nfs/dbraw/zinc/40/75/87/1018407587.db2.gz CRBWRZGXFVGWOT-LBPRGKRZSA-N -1 0 313.335 -0.273 20 0 DBADRM C[C@]1(CCCC(=O)NCCSCC(=O)[O-])NC(=O)NC1=O ZINC001604573080 1018407944 /nfs/dbraw/zinc/40/79/44/1018407944.db2.gz QIAMYNMPTBFMGI-GFCCVEGCSA-N -1 0 317.367 -0.311 20 0 DBADRM C[C@@]1(CNC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CCC(=O)N1 ZINC001604578002 1018408057 /nfs/dbraw/zinc/40/80/57/1018408057.db2.gz XBXDFVFQVITPPB-FZMZJTMJSA-N -1 0 313.354 -0.478 20 0 DBADRM CC1(O)CCN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CC1 ZINC001604595532 1018408874 /nfs/dbraw/zinc/40/88/74/1018408874.db2.gz PAVGAWFPLVIXLC-LLVKDONJSA-N -1 0 312.366 -0.023 20 0 DBADRM C[C@@]1(CO)C[C@@H](O)CN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001604585024 1018409374 /nfs/dbraw/zinc/40/93/74/1018409374.db2.gz UHSMWWMXOKPNHT-OXIWPEFWSA-N -1 0 301.339 -0.400 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC001604592477 1018409730 /nfs/dbraw/zinc/40/97/30/1018409730.db2.gz CRRJWJWFLMQANG-UHFFFAOYSA-N -1 0 317.323 -0.947 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)Cc1ccc(C(N)=O)nc1 ZINC001604596246 1018410274 /nfs/dbraw/zinc/41/02/74/1018410274.db2.gz HVDMWSRNGCHLMN-UHFFFAOYSA-N -1 0 309.322 -0.327 20 0 DBADRM C[C@]1(CO)C[C@@H](O)CN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001604585022 1018410330 /nfs/dbraw/zinc/41/03/30/1018410330.db2.gz UHSMWWMXOKPNHT-ICUOPCATSA-N -1 0 301.339 -0.400 20 0 DBADRM CC1(Cn2cc(C(=O)N3CCC[C@@H](O)[C@@H]3C(=O)[O-])nn2)COC1 ZINC001604588286 1018410361 /nfs/dbraw/zinc/41/03/61/1018410361.db2.gz UPWMCBYQYLICTA-GHMZBOCLSA-N -1 0 324.337 -0.635 20 0 DBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccsn1 ZINC001500689750 1018410931 /nfs/dbraw/zinc/41/09/31/1018410931.db2.gz PZRSFKSSWXYFGT-LBPRGKRZSA-N -1 0 324.366 -0.666 20 0 DBADRM CC1=C(C(=O)NCCSCCC(=O)[O-])S(=O)(=O)CCO1 ZINC001604606844 1018411330 /nfs/dbraw/zinc/41/13/30/1018411330.db2.gz BLCGLQQCEZPVIT-UHFFFAOYSA-N -1 0 323.392 -0.013 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2CCO[C@@H]2C)c1=O ZINC001604601428 1018411509 /nfs/dbraw/zinc/41/15/09/1018411509.db2.gz USSOSTRPXNCAQZ-BDAKNGLRSA-N -1 0 306.326 -0.365 20 0 DBADRM C[C@@]12COC[C@@H]1CN(C(=O)NCCn1cc(C(=O)[O-])nn1)C2 ZINC001604607480 1018411580 /nfs/dbraw/zinc/41/15/80/1018411580.db2.gz YOPAMKXFIGXWIX-TVQRCGJNSA-N -1 0 309.326 -0.346 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCC2(O)CCC2)c1=O ZINC001604601286 1018412122 /nfs/dbraw/zinc/41/21/22/1018412122.db2.gz RNGZAOVPODNUMK-UHFFFAOYSA-N -1 0 306.326 -0.485 20 0 DBADRM COCCN(CCC(=O)[O-])C(=O)NCC(=O)N1CCCC1 ZINC001604600320 1018412221 /nfs/dbraw/zinc/41/22/21/1018412221.db2.gz MOKFQCOJQSJUDP-UHFFFAOYSA-N -1 0 301.343 -0.259 20 0 DBADRM C[C@]1(c2cccc(C(=O)N3CC(C(=O)[O-])C3)c2)NC(=O)NC1=O ZINC001604599832 1018412761 /nfs/dbraw/zinc/41/27/61/1018412761.db2.gz BDDUQBGAKWSELQ-OAHLLOKOSA-N -1 0 317.301 -0.102 20 0 DBADRM C[C@]12CN(C(=S)NCCCC(=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC001604607279 1018412976 /nfs/dbraw/zinc/41/29/76/1018412976.db2.gz XGHMWRVFBOSAKN-CHWSQXEVSA-N -1 0 313.379 -0.290 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1=O ZINC001604614258 1018414809 /nfs/dbraw/zinc/41/48/09/1018414809.db2.gz BPISNJZSLCNZTK-GHMZBOCLSA-N -1 0 324.333 -0.624 20 0 DBADRM COCCOCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001604618266 1018415006 /nfs/dbraw/zinc/41/50/06/1018415006.db2.gz PSXDISDIXVCQKK-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM COCCN1CCCN(Cc2c(C(=O)[O-])cnn2C)CC1=O ZINC001604612832 1018415093 /nfs/dbraw/zinc/41/50/93/1018415093.db2.gz XLUVINAYRQFQKO-UHFFFAOYSA-N -1 0 310.354 -0.201 20 0 DBADRM C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1occc1C(=O)[O-] ZINC001604619902 1018415113 /nfs/dbraw/zinc/41/51/13/1018415113.db2.gz GIQBOJVDYKOVEG-ZETCQYMHSA-N -1 0 302.308 -0.171 20 0 DBADRM CC1=C(C)C(=O)N(CCC(=O)N2CCOC[C@@H]2C(=O)[O-])C1=O ZINC001604614943 1018415232 /nfs/dbraw/zinc/41/52/32/1018415232.db2.gz ZETKNZCPSSWEHY-SNVBAGLBSA-N -1 0 310.306 -0.606 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1C(=O)COCc1ocnc1C(=O)[O-] ZINC001604619907 1018415402 /nfs/dbraw/zinc/41/54/02/1018415402.db2.gz GNEFJBXLVKVBKC-MRVPVSSYSA-N -1 0 311.294 -0.422 20 0 DBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001604617347 1018415485 /nfs/dbraw/zinc/41/54/85/1018415485.db2.gz BZVQZMXNCATTLV-GRYCIOLGSA-N -1 0 316.354 -0.077 20 0 DBADRM C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001604620488 1018415648 /nfs/dbraw/zinc/41/56/48/1018415648.db2.gz NSXBBQRXIFLZKZ-ZCFIWIBFSA-N -1 0 303.296 -0.776 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCN(C2CC2)CC1 ZINC001604625343 1018417759 /nfs/dbraw/zinc/41/77/59/1018417759.db2.gz XVLJJMJLLYEHAE-CMPLNLGQSA-N -1 0 309.366 -0.385 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCCc1cnn(C)c1 ZINC001604627080 1018417965 /nfs/dbraw/zinc/41/79/65/1018417965.db2.gz OCULXLINPZTUDY-PWSUYJOCSA-N -1 0 322.365 -0.210 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC001604624084 1018418356 /nfs/dbraw/zinc/41/83/56/1018418356.db2.gz PXDXJHHBVVCPKI-SASUGWTJSA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NC[C@@H]1COC(C)(C)O1 ZINC001604625370 1018418430 /nfs/dbraw/zinc/41/84/30/1018418430.db2.gz GDPCCDNWYXDPFM-OPRDCNLKSA-N -1 0 314.338 -0.424 20 0 DBADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCn2cncc2C1 ZINC001604623508 1018418446 /nfs/dbraw/zinc/41/84/46/1018418446.db2.gz MGACJFGGPDEINQ-GXSJLCMTSA-N -1 0 306.322 -0.453 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCC[C@](C)(CO)C1 ZINC001604621743 1018418497 /nfs/dbraw/zinc/41/84/97/1018418497.db2.gz BAHKZNGKFNGUND-ZETOZRRWSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@]2(CCOC2)C1 ZINC001604624977 1018418502 /nfs/dbraw/zinc/41/85/02/1018418502.db2.gz UCIUMXGUXGCJHP-ZETOZRRWSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001604633905 1018420724 /nfs/dbraw/zinc/42/07/24/1018420724.db2.gz GZQSKZFQRBDSHV-VGMNWLOBSA-N -1 0 323.309 -0.678 20 0 DBADRM C[C@H]1[C@H](NC(=O)CC(N)=O)CCCN1c1ncc(C(=O)[O-])cn1 ZINC001604647464 1018420761 /nfs/dbraw/zinc/42/07/61/1018420761.db2.gz YADBMUNXMGTPCY-WCBMZHEXSA-N -1 0 321.337 -0.476 20 0 DBADRM CN(C(=O)CNc1ccc(-c2nn[nH]n2)cc1)c1nnn[n-]1 ZINC001604641323 1018420820 /nfs/dbraw/zinc/42/08/20/1018420820.db2.gz JGVKSSYUKDXWCB-UHFFFAOYSA-N -1 0 300.286 -0.545 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001604633902 1018421110 /nfs/dbraw/zinc/42/11/10/1018421110.db2.gz GZQSKZFQRBDSHV-HRDYMLBCSA-N -1 0 323.309 -0.678 20 0 DBADRM C[C@@H]1[C@H](OC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC(=O)N1C ZINC001604647536 1018421215 /nfs/dbraw/zinc/42/12/15/1018421215.db2.gz YPLARGCISXTUOG-KXUCPTDWSA-N -1 0 312.322 -0.528 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001604635455 1018421297 /nfs/dbraw/zinc/42/12/97/1018421297.db2.gz BRBRVAIVUQAGSI-OUAUKWLOSA-N -1 0 306.384 -0.558 20 0 DBADRM CC1(C(=O)NC[C@@]2(O)CCN(Cc3n[nH]c(=O)[n-]3)C2)CCC1 ZINC001500710661 1018422551 /nfs/dbraw/zinc/42/25/51/1018422551.db2.gz NEEUGOUUGVIGOZ-AWEZNQCLSA-N -1 0 309.370 -0.247 20 0 DBADRM CON(C(=O)CS[C@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)[O-] ZINC001604659025 1018422656 /nfs/dbraw/zinc/42/26/56/1018422656.db2.gz YTARZOFHJMBLFH-SFYZADRCSA-N -1 0 311.381 -0.230 20 0 DBADRM CON(C(=O)Cc1ccc(S(N)(=O)=O)cc1)[C@H](C)C(=O)[O-] ZINC001604657950 1018422744 /nfs/dbraw/zinc/42/27/44/1018422744.db2.gz UHKXSVDDTRXXNC-MRVPVSSYSA-N -1 0 316.335 -0.260 20 0 DBADRM CON(C(=O)CCCN1C(=O)CN(C)C1=O)[C@@H](C)C(=O)[O-] ZINC001604659014 1018423153 /nfs/dbraw/zinc/42/31/53/1018423153.db2.gz YMVSMHWSFLNOSA-QMMMGPOBSA-N -1 0 301.299 -0.476 20 0 DBADRM CON(C)C(=O)C1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001604663552 1018424685 /nfs/dbraw/zinc/42/46/85/1018424685.db2.gz WSJYVXUGSQOQMT-AWEZNQCLSA-N -1 0 314.338 -0.121 20 0 DBADRM CO[C@@]1(C)C[C@H]1n1nnnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001604669310 1018425684 /nfs/dbraw/zinc/42/56/84/1018425684.db2.gz VIPJRTKHTVRMAM-MNUQUWEESA-N -1 0 309.326 -0.440 20 0 DBADRM CON(C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC001604663580 1018425784 /nfs/dbraw/zinc/42/57/84/1018425784.db2.gz YPRQMBNEVPMSTD-UWVGGRQHSA-N -1 0 324.337 -0.543 20 0 DBADRM C[C@@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)CCN1C(=O)C(N)=O ZINC001604678650 1018427313 /nfs/dbraw/zinc/42/73/13/1018427313.db2.gz JOZDIAFWFUBCIU-APPZFPTMSA-N -1 0 307.310 -0.549 20 0 DBADRM C[C@H]1C[C@H]1CNC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001604688319 1018430196 /nfs/dbraw/zinc/43/01/96/1018430196.db2.gz IZCVYBHBFUYNKA-USXUVBGUSA-N -1 0 310.350 -0.292 20 0 DBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1=O ZINC001604689105 1018431929 /nfs/dbraw/zinc/43/19/29/1018431929.db2.gz UDZJKKMSHFDEBI-SPTZMNNTSA-N -1 0 307.350 -0.032 20 0 DBADRM CN(C1CC(O)C1)S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001604706529 1018432733 /nfs/dbraw/zinc/43/27/33/1018432733.db2.gz VBJOOSQREWGNCL-UHFFFAOYSA-N -1 0 310.339 -0.595 20 0 DBADRM COc1cc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)ccn1 ZINC001604709180 1018434204 /nfs/dbraw/zinc/43/42/04/1018434204.db2.gz CMFCSJSZGXZUIN-SNVBAGLBSA-N -1 0 307.306 -0.361 20 0 DBADRM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2N1Cc1nc(N)nc(N)n1 ZINC001604713564 1018434259 /nfs/dbraw/zinc/43/42/59/1018434259.db2.gz LJOLNFOMCYEZHK-LURQLKTLSA-N -1 0 308.342 -0.369 20 0 DBADRM C[C@H]1CC[C@@H](NC(=O)NCCOCC(=O)[O-])CS1(=O)=O ZINC001604703253 1018434467 /nfs/dbraw/zinc/43/44/67/1018434467.db2.gz HNERGCLUUJZLBB-DTWKUNHWSA-N -1 0 308.356 -0.648 20 0 DBADRM C[C@H]1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C[C@@H]1CO ZINC001604741024 1018435667 /nfs/dbraw/zinc/43/56/67/1018435667.db2.gz GLXIJKOBVHDCGQ-DTWKUNHWSA-N -1 0 324.337 -0.466 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1CNc1ccnc(C(=O)[O-])n1 ZINC001604733631 1018436158 /nfs/dbraw/zinc/43/61/58/1018436158.db2.gz DKMJBBNQBFEVPE-BDAKNGLRSA-N -1 0 321.337 -0.879 20 0 DBADRM CN(C[C@H]1CCCOC1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604732799 1018436369 /nfs/dbraw/zinc/43/63/69/1018436369.db2.gz WXGRUDKKLYVJGD-MRVPVSSYSA-N -1 0 321.341 -0.884 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)C1 ZINC001604757376 1018439430 /nfs/dbraw/zinc/43/94/30/1018439430.db2.gz OMUKZINSILSROQ-MXWKQRLJSA-N -1 0 306.384 -0.100 20 0 DBADRM C[C@@H]1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)[C@H](C(N)=O)C1 ZINC001604758898 1018440329 /nfs/dbraw/zinc/44/03/29/1018440329.db2.gz BXVQZDMQKBHPHM-IMSYWVGJSA-N -1 0 304.368 -0.235 20 0 DBADRM C[C@@H]1C[C@H](C(=O)N2CC[C@@H](C)S(=O)(=O)CC2)O[C@H]1C(=O)[O-] ZINC001604746070 1018440518 /nfs/dbraw/zinc/44/05/18/1018440518.db2.gz RMRQJODXBQVVKR-GWOFURMSSA-N -1 0 319.379 -0.100 20 0 DBADRM COc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cn1 ZINC001604762734 1018441375 /nfs/dbraw/zinc/44/13/75/1018441375.db2.gz NIJDDDCWHXGTSE-VIFPVBQESA-N -1 0 314.319 -0.586 20 0 DBADRM C[C@H]1CCOCCN1C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001604760650 1018441464 /nfs/dbraw/zinc/44/14/64/1018441464.db2.gz QMQJVWRRFALGLB-WDEREUQCSA-N -1 0 314.338 -0.674 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCC1(F)F ZINC001604768538 1018441566 /nfs/dbraw/zinc/44/15/66/1018441566.db2.gz PAUNJEZFWNKYFT-DTWKUNHWSA-N -1 0 320.292 -0.198 20 0 DBADRM C[C@@H]1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C[C@H](CO)O1 ZINC001604768610 1018441711 /nfs/dbraw/zinc/44/17/11/1018441711.db2.gz FUWJTYWVODGDAK-WRWGMCAJSA-N -1 0 301.339 -0.136 20 0 DBADRM C[C@@H]1CCNC(=O)[C@@H]1NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001604761384 1018441741 /nfs/dbraw/zinc/44/17/41/1018441741.db2.gz VLTRULKNVUAZIB-DOLQZWNJSA-N -1 0 304.368 -0.316 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CCC[C@H](O)[C@@H]2C(=O)[O-])CC(C)(C)O1 ZINC001604768829 1018442195 /nfs/dbraw/zinc/44/21/95/1018442195.db2.gz IRCZCGOPVFMGSJ-NTZNESFSSA-N -1 0 314.382 -0.078 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CCO1 ZINC001604768518 1018442353 /nfs/dbraw/zinc/44/23/53/1018442353.db2.gz OXIHBWVDCFSGAO-GHMZBOCLSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C[C@@]1(C)CO ZINC001604768956 1018442626 /nfs/dbraw/zinc/44/26/26/1018442626.db2.gz NBLQVGCYIGFJBL-CLAHSXSESA-N -1 0 324.337 -0.466 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CCO1 ZINC001604768955 1018442893 /nfs/dbraw/zinc/44/28/93/1018442893.db2.gz NAIAYYKGMOTEIX-VIFPVBQESA-N -1 0 324.337 -0.111 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CCO1 ZINC001604768524 1018442966 /nfs/dbraw/zinc/44/29/66/1018442966.db2.gz OXIHBWVDCFSGAO-WDEREUQCSA-N -1 0 310.350 -0.053 20 0 DBADRM C[C@H]1CN(C(=O)C2=CCS(=O)(=O)C2)CCN1CCC(=O)[O-] ZINC001604771826 1018444629 /nfs/dbraw/zinc/44/46/29/1018444629.db2.gz SPOBXFUZNRVNGO-JTQLQIEISA-N -1 0 316.379 -0.651 20 0 DBADRM C[C@@H]1CN(C(=O)CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CCO1 ZINC001604770755 1018445901 /nfs/dbraw/zinc/44/59/01/1018445901.db2.gz WDXXQUHEBMJNQP-MNOVXSKESA-N -1 0 323.353 -0.530 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CC[S@](=O)C[C@H](C)C1)C(=O)[O-] ZINC001604786648 1018447057 /nfs/dbraw/zinc/44/70/57/1018447057.db2.gz WBKNYCNHHZTFGW-FQKDVGPYSA-N -1 0 304.412 -0.088 20 0 DBADRM C[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1Nc1ccnc(C(=O)[O-])n1 ZINC001604784545 1018447758 /nfs/dbraw/zinc/44/77/58/1018447758.db2.gz ZTTJMENMOFGCPT-WPRPVWTQSA-N -1 0 316.321 -0.108 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)[C@H](C)CN1CCO ZINC001604779082 1018448363 /nfs/dbraw/zinc/44/83/63/1018448363.db2.gz ATFNLPOWKQVGOJ-KKOKHZNYSA-N -1 0 300.355 -0.468 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1Nc1ccnc(C(=O)[O-])n1 ZINC001604781083 1018448394 /nfs/dbraw/zinc/44/83/94/1018448394.db2.gz UMCWGIMMBDHEGF-VXNVDRBHSA-N -1 0 317.309 -0.713 20 0 DBADRM C[C@H](C(=O)NCC(=O)[O-])N1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001604787252 1018448458 /nfs/dbraw/zinc/44/84/58/1018448458.db2.gz YJUOLYPFEHCTFD-PUHVVEEASA-N -1 0 300.355 -0.156 20 0 DBADRM C[C@@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])[C@@H](C)CO1 ZINC001604777485 1018448555 /nfs/dbraw/zinc/44/85/55/1018448555.db2.gz WUOJJPDMUNMDBL-VHSXEESVSA-N -1 0 301.343 -0.214 20 0 DBADRM COc1ccc(CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)nc1 ZINC001604774267 1018448883 /nfs/dbraw/zinc/44/88/83/1018448883.db2.gz DGVQQPUZXQNWFP-UHFFFAOYSA-N -1 0 307.306 -0.612 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)N(C)CCF ZINC001604789772 1018450293 /nfs/dbraw/zinc/45/02/93/1018450293.db2.gz YMZYWOWQJHXPGG-JTQLQIEISA-N -1 0 303.334 -0.578 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)c1cnn(C)c1 ZINC001604794052 1018450974 /nfs/dbraw/zinc/45/09/74/1018450974.db2.gz IWNHYBPIHSEENF-SNVBAGLBSA-N -1 0 316.383 -0.410 20 0 DBADRM C[C@@H]1CN(CCNC(=O)Cn2cccc(C(=O)[O-])c2=O)CCO1 ZINC001604795996 1018453199 /nfs/dbraw/zinc/45/31/99/1018453199.db2.gz JFDDWJZPKSBPKG-LLVKDONJSA-N -1 0 323.349 -0.617 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC[S@](=O)C1 ZINC001604803775 1018453219 /nfs/dbraw/zinc/45/32/19/1018453219.db2.gz WESJRCNWKJHNOA-IIYDVTGLSA-N -1 0 321.380 -0.503 20 0 DBADRM C[C@H]1CN(Cc2noc(CCCC(=O)[O-])n2)CCN1CCO ZINC001604802213 1018453270 /nfs/dbraw/zinc/45/32/70/1018453270.db2.gz WNLMPKKDOUEHMV-NSHDSACASA-N -1 0 312.370 -0.025 20 0 DBADRM C[C@@H]1CN(CCNC(=O)NCCOCC(=O)[O-])[C@@H](C)CO1 ZINC001604797365 1018453727 /nfs/dbraw/zinc/45/37/27/1018453727.db2.gz VSLZYFJEYLSNSK-WDEREUQCSA-N -1 0 303.359 -0.504 20 0 DBADRM C[C@@H]1CN(Cc2noc(CCCC(=O)[O-])n2)CCN1CCO ZINC001604802212 1018454031 /nfs/dbraw/zinc/45/40/31/1018454031.db2.gz WNLMPKKDOUEHMV-LLVKDONJSA-N -1 0 312.370 -0.025 20 0 DBADRM C[C@@H]1CN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC(=O)N1 ZINC001604803818 1018454043 /nfs/dbraw/zinc/45/40/43/1018454043.db2.gz XDDHXGFDXDACGZ-OPRDCNLKSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@H]1CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC[S@](=O)C1 ZINC001604803329 1018454594 /nfs/dbraw/zinc/45/45/94/1018454594.db2.gz QRNUZHJKKULCNX-WLGFBQDLSA-N -1 0 309.409 -0.120 20 0 DBADRM CN(Cc1ccns1)c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001604821631 1018456504 /nfs/dbraw/zinc/45/65/04/1018456504.db2.gz LCMKGKZGIDUEHQ-UHFFFAOYSA-N -1 0 320.338 -0.653 20 0 DBADRM C[C@@H]1CN(c2ccc(C(=O)N[C@@H](CO)C(=O)[O-])cn2)C[C@H](C)O1 ZINC001604807835 1018457148 /nfs/dbraw/zinc/45/71/48/1018457148.db2.gz FWGGWSUKHZBIPN-UMNHJUIQSA-N -1 0 323.349 -0.130 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)NC[C@@H](C(=O)[O-])[C@H]3CCOC3)cc2CN1 ZINC001604828384 1018458141 /nfs/dbraw/zinc/45/81/41/1018458141.db2.gz VCHWZRGGNRVZQN-JFGNBEQYSA-N -1 0 322.365 -0.158 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001604836915 1018458338 /nfs/dbraw/zinc/45/83/38/1018458338.db2.gz YKYNPGFSKGYFGV-BXKDBHETSA-N -1 0 307.368 -0.299 20 0 DBADRM C[C@H]1CS(=O)(=O)CCCN1C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001604823165 1018458741 /nfs/dbraw/zinc/45/87/41/1018458741.db2.gz KDRUWGUWIUCMQA-IVZWLZJFSA-N -1 0 304.368 -0.074 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001604826786 1018458950 /nfs/dbraw/zinc/45/89/50/1018458950.db2.gz KGKYXYNQJVCEAF-UHFFFAOYSA-N -1 0 302.254 -0.790 20 0 DBADRM C[C@H]1OCC[C@@H]1S(=O)(=O)NCCC(=O)NCCC(=O)[O-] ZINC001604836841 1018459712 /nfs/dbraw/zinc/45/97/12/1018459712.db2.gz ZLNLLMQDXRJQMA-BDAKNGLRSA-N -1 0 308.356 -0.936 20 0 DBADRM COc1ccc2c(c1)C(=O)N([C@H]1CCN(CC(=O)[O-])C1=O)C2=O ZINC001604842786 1018460679 /nfs/dbraw/zinc/46/06/79/1018460679.db2.gz FIXZGVORIOSGSM-NSHDSACASA-N -1 0 318.285 -0.023 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C)[C@H]2C)C[C@@H](C(=O)[O-])O1 ZINC001604838174 1018461869 /nfs/dbraw/zinc/46/18/69/1018461869.db2.gz RCSDMNVZMQROJE-DBIOUOCHSA-N -1 0 314.338 -0.677 20 0 DBADRM C[C@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1cncnc1 ZINC001604842966 1018461951 /nfs/dbraw/zinc/46/19/51/1018461951.db2.gz WDOKFALSVCZEBI-PSASIEDQSA-N -1 0 324.362 -0.029 20 0 DBADRM C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1cncnc1 ZINC001604842968 1018462382 /nfs/dbraw/zinc/46/23/82/1018462382.db2.gz WDOKFALSVCZEBI-WCBMZHEXSA-N -1 0 324.362 -0.029 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001604836923 1018462399 /nfs/dbraw/zinc/46/23/99/1018462399.db2.gz YKYNPGFSKGYFGV-SKDRFNHKSA-N -1 0 307.368 -0.299 20 0 DBADRM Cc1ncc(C(=O)NCC2(O)CN(Cc3n[nH]c(=O)[n-]3)C2)s1 ZINC001500801435 1018465499 /nfs/dbraw/zinc/46/54/99/1018465499.db2.gz QPGAPDXDALUXRI-UHFFFAOYSA-N -1 0 324.366 -0.748 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1O ZINC001604845580 1018466333 /nfs/dbraw/zinc/46/63/33/1018466333.db2.gz WNNQLBIRPJLSPU-XBFWRGBKSA-N -1 0 306.322 -0.193 20 0 DBADRM C/C=C\C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)OCC ZINC001604853419 1018466581 /nfs/dbraw/zinc/46/65/81/1018466581.db2.gz YFQWGOBUYHVBGQ-LVCFMKKZSA-N -1 0 310.310 -0.010 20 0 DBADRM COc1cccc(C[C@@H](O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC001604862948 1018467611 /nfs/dbraw/zinc/46/76/11/1018467611.db2.gz JFUDGVINNAKIHB-OLZOCXBDSA-N -1 0 309.318 -0.089 20 0 DBADRM CCC(=O)NCC(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001604858893 1018467756 /nfs/dbraw/zinc/46/77/56/1018467756.db2.gz FUMLRCHEFZDNFC-SNVBAGLBSA-N -1 0 321.337 -0.604 20 0 DBADRM CCC(=O)N1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001604857719 1018468149 /nfs/dbraw/zinc/46/81/49/1018468149.db2.gz SKLQJGGDGDLWBH-UHFFFAOYSA-N -1 0 302.312 -0.692 20 0 DBADRM CCC(=O)NCC(=O)N(C)CCN(C)c1ncc(C(=O)[O-])cn1 ZINC001604860773 1018468577 /nfs/dbraw/zinc/46/85/77/1018468577.db2.gz ZKQFIBOQXCWKIP-UHFFFAOYSA-N -1 0 323.353 -0.404 20 0 DBADRM COc1cccc(CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC001604864065 1018468673 /nfs/dbraw/zinc/46/86/73/1018468673.db2.gz UMTNRRLVJVHUQZ-UHFFFAOYSA-N -1 0 307.306 -0.612 20 0 DBADRM CCC(=O)N[C@H](CCSC)C(=O)N[C@H](COC)C(=O)[O-] ZINC001604859641 1018468942 /nfs/dbraw/zinc/46/89/42/1018468942.db2.gz KRLMXPNPEXIVFF-RKDXNWHRSA-N -1 0 306.384 -0.150 20 0 DBADRM CCC(=O)N1CCC[C@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC001604860875 1018469486 /nfs/dbraw/zinc/46/94/86/1018469486.db2.gz YJVMNWIBGUKAQP-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM CCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001604859816 1018469534 /nfs/dbraw/zinc/46/95/34/1018469534.db2.gz NZLKNLQTAZMJDR-AOOOYVTPSA-N -1 0 321.337 -0.240 20 0 DBADRM CCC(=O)NCC(=O)NC/C=C/CNc1ncc(C(=O)[O-])cn1 ZINC001604859224 1018469830 /nfs/dbraw/zinc/46/98/30/1018469830.db2.gz HBVDLZWDJKRJAF-ONEGZZNKSA-N -1 0 321.337 -0.215 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001604868371 1018471544 /nfs/dbraw/zinc/47/15/44/1018471544.db2.gz IOIFXQISNRPQGO-XHNCKOQMSA-N -1 0 301.295 -0.482 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001604877058 1018474844 /nfs/dbraw/zinc/47/48/44/1018474844.db2.gz OXXKIORKWIWTFE-JTQLQIEISA-N -1 0 306.384 -0.115 20 0 DBADRM CNC(=O)CN(C)C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001604879689 1018474940 /nfs/dbraw/zinc/47/49/40/1018474940.db2.gz ASDJKLJUVILOSG-UHFFFAOYSA-N -1 0 305.298 -0.906 20 0 DBADRM Cc1coc(C)c1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500826454 1018479765 /nfs/dbraw/zinc/47/97/65/1018479765.db2.gz IJYFYXGEMCLXEY-UHFFFAOYSA-N -1 0 321.337 -0.303 20 0 DBADRM CCC(C)(C)CNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001604896551 1018481676 /nfs/dbraw/zinc/48/16/76/1018481676.db2.gz ZASWSHFHRBSXIE-VHSXEESVSA-N -1 0 300.355 -0.167 20 0 DBADRM CC[C@@](C)(NS(=O)(=O)c1n[nH]cc1C(=O)OC)C(=O)[O-] ZINC001604915102 1018483261 /nfs/dbraw/zinc/48/32/61/1018483261.db2.gz SHWFTZTVDCCHFI-SNVBAGLBSA-N -1 0 305.312 -0.272 20 0 DBADRM CC[C@@](C)(NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001604911008 1018483905 /nfs/dbraw/zinc/48/39/05/1018483905.db2.gz FRNQCQGUSSBGBX-JVXZTZIISA-N -1 0 311.298 -0.630 20 0 DBADRM COc1nccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001604907227 1018483925 /nfs/dbraw/zinc/48/39/25/1018483925.db2.gz WLYRWCGJGHWTKK-JGVFFNPUSA-N -1 0 308.294 -0.207 20 0 DBADRM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NC[C@H](O)C(=O)[O-])C1 ZINC001604918029 1018484843 /nfs/dbraw/zinc/48/48/43/1018484843.db2.gz IAOCWMDOOKFYKE-VWYCJHECSA-N -1 0 300.355 -0.167 20 0 DBADRM CS(=O)(=O)[C@H]1CCCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001604913747 1018485033 /nfs/dbraw/zinc/48/50/33/1018485033.db2.gz GCDLRJKDCMGXHT-WDEREUQCSA-N -1 0 318.395 -0.429 20 0 DBADRM CS(=O)(=O)CC(=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001604914749 1018485242 /nfs/dbraw/zinc/48/52/42/1018485242.db2.gz VKSNOWKSSSLOSA-UHFFFAOYSA-N -1 0 303.296 -0.905 20 0 DBADRM CC/C(C)=C/C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001604917585 1018485360 /nfs/dbraw/zinc/48/53/60/1018485360.db2.gz CSACLMKOAADMFP-BDMRALOESA-N -1 0 310.350 -0.247 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC001604920812 1018486284 /nfs/dbraw/zinc/48/62/84/1018486284.db2.gz DCYHNKPMXNTZDJ-IVZWLZJFSA-N -1 0 304.368 -0.505 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001604926409 1018488652 /nfs/dbraw/zinc/48/86/52/1018488652.db2.gz AALXABJJYISEDC-VIFPVBQESA-N -1 0 303.278 -0.040 20 0 DBADRM CS(=O)(=O)N1CCC[C@H](C(=O)OCCOCCC(=O)[O-])C1 ZINC001604927171 1018488895 /nfs/dbraw/zinc/48/88/95/1018488895.db2.gz FHKJURZKZZKOGD-JTQLQIEISA-N -1 0 323.367 -0.308 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(C)C[C@@H]1CO)C(=O)[O-] ZINC001604930192 1018489023 /nfs/dbraw/zinc/48/90/23/1018489023.db2.gz BSLSEWZZABTIAT-LOWVWBTDSA-N -1 0 301.387 -0.790 20 0 DBADRM COC(=O)CC(C)(C)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001604926822 1018489956 /nfs/dbraw/zinc/48/99/56/1018489956.db2.gz BMZCNTXSZIHRMO-ZETCQYMHSA-N -1 0 322.329 -0.523 20 0 DBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCC(CO)(CO)C1)C(=O)[O-] ZINC001604929165 1018490072 /nfs/dbraw/zinc/49/00/72/1018490072.db2.gz SFDIIHCEHMSPIN-ZYHUDNBSSA-N -1 0 302.371 -0.721 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001604927817 1018490220 /nfs/dbraw/zinc/49/02/20/1018490220.db2.gz VQPKBYNKVPNSSM-CABZTGNLSA-N -1 0 320.367 -0.840 20 0 DBADRM CS(=O)(=O)NCCC(=O)OCC1(C(=O)[O-])CCOCC1 ZINC001604927744 1018490253 /nfs/dbraw/zinc/49/02/53/1018490253.db2.gz QFUDZRLHYBRAPJ-UHFFFAOYSA-N -1 0 309.340 -0.650 20 0 DBADRM CS(=O)(=O)c1cc(C(=O)OCC(=O)NCC(=O)[O-])co1 ZINC001604936098 1018492481 /nfs/dbraw/zinc/49/24/81/1018492481.db2.gz CGEFPJBBRXRJDM-UHFFFAOYSA-N -1 0 305.264 -0.959 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN2CCOC[C@@H]2C1)C(=O)[O-] ZINC001604932160 1018493727 /nfs/dbraw/zinc/49/37/27/1018493727.db2.gz MMZIVETYTWEHTF-SGMGOOAPSA-N -1 0 313.398 -0.382 20 0 DBADRM CC[C@H](C)[C@H](NC(=O)CN1CCO[C@@H]([C@H](C)O)C1)C(=O)[O-] ZINC001604932682 1018493906 /nfs/dbraw/zinc/49/39/06/1018493906.db2.gz PBSJEADBFOYNMZ-KQXIARHKSA-N -1 0 302.371 -0.317 20 0 DBADRM CC[C@@H](C)C[C@@H](NS(=O)(=O)N1CCN(C)CC1)C(=O)[O-] ZINC001604954289 1018495990 /nfs/dbraw/zinc/49/59/90/1018495990.db2.gz CZOBPEPGDHHRKK-GHMZBOCLSA-N -1 0 307.416 -0.042 20 0 DBADRM COC(=O)Cn1cc(Br)cc(-c2nnn[n-]2)c1=O ZINC001604944546 1018496463 /nfs/dbraw/zinc/49/64/63/1018496463.db2.gz JTPSAYGLCAFPCS-UHFFFAOYSA-N -1 0 314.099 -0.036 20 0 DBADRM COC(=O)N1CC(NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1 ZINC001604949867 1018496727 /nfs/dbraw/zinc/49/67/27/1018496727.db2.gz PIFYSLVAMVZZLO-UHFFFAOYSA-N -1 0 318.293 -0.247 20 0 DBADRM COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604957448 1018496780 /nfs/dbraw/zinc/49/67/80/1018496780.db2.gz KNVKHNWQGXOWOG-RXMQYKEDSA-N -1 0 301.284 -0.701 20 0 DBADRM C[S@](=O)CCN1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001604944029 1018497365 /nfs/dbraw/zinc/49/73/65/1018497365.db2.gz RLCHLKMSPLKQBB-ASSNKEHSSA-N -1 0 318.395 -0.857 20 0 DBADRM CCCN1CC(O)(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001500869361 1018497392 /nfs/dbraw/zinc/49/73/92/1018497392.db2.gz FCSJEOFZDHQECO-UHFFFAOYSA-N -1 0 313.358 -0.958 20 0 DBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC001604960748 1018498433 /nfs/dbraw/zinc/49/84/33/1018498433.db2.gz NSWBSDUCDDVKFR-MRVPVSSYSA-N -1 0 318.355 -0.758 20 0 DBADRM COC(=O)c1ccc(Cn2cncc(-c3nnn[n-]3)c2=O)o1 ZINC001604972521 1018498674 /nfs/dbraw/zinc/49/86/74/1018498674.db2.gz YIMUXBGCVKPTOC-UHFFFAOYSA-N -1 0 302.250 -0.149 20 0 DBADRM COC(=O)c1cc(C(=O)Cn2cc(-c3nnn[n-]3)nn2)c(C)[nH]1 ZINC001604963976 1018498865 /nfs/dbraw/zinc/49/88/65/1018498865.db2.gz ULUDNLGACALXCS-UHFFFAOYSA-N -1 0 316.281 -0.236 20 0 DBADRM COC(=O)c1ccc(N2CC[C@@H](C(=O)[O-])C2)c(-c2nn[nH]n2)n1 ZINC001604973967 1018500975 /nfs/dbraw/zinc/50/09/75/1018500975.db2.gz XWSGXVKOLUMURJ-SSDOTTSWSA-N -1 0 318.293 -0.041 20 0 DBADRM COC(=O)c1occc1Cn1cnc(-c2nnn[n-]2)cc1=O ZINC001604990733 1018501424 /nfs/dbraw/zinc/50/14/24/1018501424.db2.gz NEXUCAPBPKFUFS-UHFFFAOYSA-N -1 0 302.250 -0.149 20 0 DBADRM CO[C@@H](C)C(=O)N[C@@H](C)CCNc1cnc(-c2nn[nH]n2)cn1 ZINC001604999204 1018503575 /nfs/dbraw/zinc/50/35/75/1018503575.db2.gz AUIZCZIJRUZYSG-IUCAKERBSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@@H](Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O)[C@@H]1CCOC1 ZINC001605011553 1018504778 /nfs/dbraw/zinc/50/47/78/1018504778.db2.gz DUEHKFOPAQDQOF-APPZFPTMSA-N -1 0 308.298 -0.820 20 0 DBADRM CO[C@@H](C)C(=O)NCC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001605000238 1018505110 /nfs/dbraw/zinc/50/51/10/1018505110.db2.gz UWQGPKCIRFAVRB-IUCAKERBSA-N -1 0 320.357 -0.580 20 0 DBADRM CO[C@@H](C)CC(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001605002313 1018505226 /nfs/dbraw/zinc/50/52/26/1018505226.db2.gz JAVRGKLKNVTTBG-VIFPVBQESA-N -1 0 320.357 -0.366 20 0 DBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CN(C)S(=O)(=O)N(C)C ZINC001605005036 1018505492 /nfs/dbraw/zinc/50/54/92/1018505492.db2.gz MHMSRHFRVXTXHP-RKDXNWHRSA-N -1 0 307.372 -0.811 20 0 DBADRM CC[C@H](CNC(=O)C(=O)Nc1c(C)ccn(C)c1=O)C(=O)[O-] ZINC001605022997 1018508654 /nfs/dbraw/zinc/50/86/54/1018508654.db2.gz GDRUYZRFHNNHSH-SECBINFHSA-N -1 0 309.322 -0.141 20 0 DBADRM CC[C@H](CN1CCOCC1)NC(=O)NCCOCC(=O)[O-] ZINC001605025109 1018508854 /nfs/dbraw/zinc/50/88/54/1018508854.db2.gz QEYFJDMACMWTLT-LLVKDONJSA-N -1 0 303.359 -0.502 20 0 DBADRM CO[C@@H]1CC[C@H](C)N(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001605026778 1018509077 /nfs/dbraw/zinc/50/90/77/1018509077.db2.gz PDEOYRFNYZDFDX-JGVFFNPUSA-N -1 0 321.341 -0.743 20 0 DBADRM CC[C@H](CNC(=O)Cc1ncc[nH]1)Nc1ccnc(C(=O)[O-])n1 ZINC001605033067 1018509210 /nfs/dbraw/zinc/50/92/10/1018509210.db2.gz PQTVSCIIUVYIGX-SECBINFHSA-N -1 0 318.337 -0.131 20 0 DBADRM CO[C@H]1CCCC[C@H]1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001605029089 1018510636 /nfs/dbraw/zinc/51/06/36/1018510636.db2.gz BCLNXFCTRVMIQM-ZJUUUORDSA-N -1 0 320.357 -0.220 20 0 DBADRM CO[C@@]1(C)CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001605015919 1018510924 /nfs/dbraw/zinc/51/09/24/1018510924.db2.gz RJOLMCWCYMTSPG-LBPRGKRZSA-N -1 0 306.330 -0.514 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCC1(OCCO)CCOCC1 ZINC001605034955 1018512160 /nfs/dbraw/zinc/51/21/60/1018512160.db2.gz PTTFDIFAVLTDCE-YGRLFVJLSA-N -1 0 301.339 -0.229 20 0 DBADRM C[C@@]12CN(C(=O)[C@H](C(=O)[O-])C3CC3)C[C@@H]1CS(=O)(=O)C2 ZINC001605034162 1018513354 /nfs/dbraw/zinc/51/33/54/1018513354.db2.gz JELNUZIUJXTFMW-BREBYQMCSA-N -1 0 301.364 -0.010 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001605041241 1018516163 /nfs/dbraw/zinc/51/61/63/1018516163.db2.gz BBALAAIZSJJTJS-XHNCKOQMSA-N -1 0 308.356 -0.937 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001605041639 1018516273 /nfs/dbraw/zinc/51/62/73/1018516273.db2.gz PRCDDRSWPLQLQW-HUUUCTMMSA-N -1 0 304.368 -0.315 20 0 DBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)c1cncc(C(=O)[O-])c1 ZINC001605041995 1018516632 /nfs/dbraw/zinc/51/66/32/1018516632.db2.gz XGTFJUQNNCGULQ-SNVBAGLBSA-N -1 0 315.351 -0.163 20 0 DBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001605041357 1018516994 /nfs/dbraw/zinc/51/69/94/1018516994.db2.gz GXLMFRRVMIQVES-QMMMGPOBSA-N -1 0 303.340 -0.230 20 0 DBADRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])n[nH]2)CCN1S(C)(=O)=O ZINC001605062642 1018519182 /nfs/dbraw/zinc/51/91/82/1018519182.db2.gz AEVQFTJNNNQLPD-ZETCQYMHSA-N -1 0 316.339 -0.786 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCN(c2ncncc2-c2nn[nH]n2)C1 ZINC001605065580 1018520022 /nfs/dbraw/zinc/52/00/22/1018520022.db2.gz WORZONLNIFCMLC-GFCCVEGCSA-N -1 0 305.298 -0.416 20 0 DBADRM CC[C@@H](F)C(=O)NC[C@H](CO)Nc1ncc(C(=O)[O-])cn1 ZINC001605068681 1018520264 /nfs/dbraw/zinc/52/02/64/1018520264.db2.gz LICYNASRZBAGHB-RKDXNWHRSA-N -1 0 300.290 -0.188 20 0 DBADRM C[C@@H]1CN(CCN(C)C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C[C@H](C)O1 ZINC001605063649 1018521514 /nfs/dbraw/zinc/52/15/14/1018521514.db2.gz WSCIUDPDEFHKLI-UMNHJUIQSA-N -1 0 313.354 -0.217 20 0 DBADRM COC[C@@H]1CCCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001605071533 1018521895 /nfs/dbraw/zinc/52/18/95/1018521895.db2.gz GHRKYRUVSWWLPO-VIFPVBQESA-N -1 0 321.345 -0.721 20 0 DBADRM Cc1c(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)nnn1C ZINC001605076542 1018523604 /nfs/dbraw/zinc/52/36/04/1018523604.db2.gz GJKKFKHQKOXSMV-SECBINFHSA-N -1 0 309.326 -0.681 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)nnn1C ZINC001605085150 1018524130 /nfs/dbraw/zinc/52/41/30/1018524130.db2.gz ZJNKOSYPFGNBIS-SECBINFHSA-N -1 0 309.326 -0.225 20 0 DBADRM COCCCCCn1cnc2ncc(-c3nnn[n-]3)c(=O)n21 ZINC001605088620 1018524284 /nfs/dbraw/zinc/52/42/84/1018524284.db2.gz OHQJHWYZCZPLLU-UHFFFAOYSA-N -1 0 304.314 -0.112 20 0 DBADRM COCC[C@@H](C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001605078351 1018524321 /nfs/dbraw/zinc/52/43/21/1018524321.db2.gz BESCEYJUUIOWQR-MRVPVSSYSA-N -1 0 309.334 -0.818 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001605090192 1018526818 /nfs/dbraw/zinc/52/68/18/1018526818.db2.gz UZRMPLFYNSLPMV-ZJUUUORDSA-N -1 0 320.367 -0.999 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1)C(=O)NC ZINC001605105241 1018528620 /nfs/dbraw/zinc/52/86/20/1018528620.db2.gz UVNRRMCFLQOUDR-SNVBAGLBSA-N -1 0 315.351 -0.109 20 0 DBADRM CC1C(=O)N=C(CCN(C)C(=O)[C@@H]2CC(C(=O)[O-])=NO2)NC1=O ZINC001605093686 1018528927 /nfs/dbraw/zinc/52/89/27/1018528927.db2.gz NBEDNXDFYZBCIW-QMMMGPOBSA-N -1 0 324.293 -0.573 20 0 DBADRM CC[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@@H](O)C(F)F ZINC001605099198 1018529737 /nfs/dbraw/zinc/52/97/37/1018529737.db2.gz OCXYRGMSBRMAIX-HTRCEHHLSA-N -1 0 304.315 -0.368 20 0 DBADRM COCCc1nc(Cn2cncc(-c3nnn[n-]3)c2=O)no1 ZINC001605123124 1018530667 /nfs/dbraw/zinc/53/06/67/1018530667.db2.gz KMWDOEOCCCKCDS-UHFFFAOYSA-N -1 0 304.270 -0.956 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])nn1 ZINC001605115131 1018531547 /nfs/dbraw/zinc/53/15/47/1018531547.db2.gz YMDWVHKGKAKMNX-NXEZZACHSA-N -1 0 322.325 -0.802 20 0 DBADRM CO[N-]C(=O)CNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC001605144101 1018534948 /nfs/dbraw/zinc/53/49/48/1018534948.db2.gz OIACOSHSEQNBQC-UHFFFAOYSA-N -1 0 310.701 -0.073 20 0 DBADRM CO[N-]C(=O)CNc1ccc(C(=O)OC)nc1-c1nn[nH]n1 ZINC001605143967 1018536323 /nfs/dbraw/zinc/53/63/23/1018536323.db2.gz MAGWUKZERXHVCJ-UHFFFAOYSA-N -1 0 307.270 -0.862 20 0 DBADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@@H](O)CS(C)(=O)=O)c1 ZINC001605138001 1018537326 /nfs/dbraw/zinc/53/73/26/1018537326.db2.gz ANQGIKKAEGSFNJ-LLVKDONJSA-N -1 0 315.347 -0.171 20 0 DBADRM CCC1CCC(NC(=O)Cn2cnc(C(N)=O)n2)(C(=O)[O-])CC1 ZINC001605156073 1018538081 /nfs/dbraw/zinc/53/80/81/1018538081.db2.gz GIAYVJVTJATCQY-UHFFFAOYSA-N -1 0 323.353 -0.083 20 0 DBADRM CO[N-]C(=O)CNC(=O)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC001605144125 1018539029 /nfs/dbraw/zinc/53/90/29/1018539029.db2.gz PWFUXPQQMCOMLS-MRVPVSSYSA-N -1 0 319.325 -0.096 20 0 DBADRM CCC1(Cn2cc(C(=O)N[C@@]3(C(=O)[O-])C[C@@H](O)C3)nn2)COC1 ZINC001605146106 1018539693 /nfs/dbraw/zinc/53/96/93/1018539693.db2.gz WIDPTOMPZWVZRV-DEZZCRIOSA-N -1 0 324.337 -0.587 20 0 DBADRM CC[C@H]1C(=O)N(CC)CCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001605150645 1018540585 /nfs/dbraw/zinc/54/05/85/1018540585.db2.gz NYHUPFVWIJVRAP-JTQLQIEISA-N -1 0 309.326 -0.554 20 0 DBADRM Cc1cc(C)n(CC(=O)Nc2ccn(CC(=O)[O-])n2)c(=O)n1 ZINC001605158252 1018540615 /nfs/dbraw/zinc/54/06/15/1018540615.db2.gz HXTXZGDZLBXJQQ-UHFFFAOYSA-N -1 0 305.294 -0.220 20 0 DBADRM CCCCN(CCO)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001605277056 1018555293 /nfs/dbraw/zinc/55/52/93/1018555293.db2.gz GGTJTHGVKKIAHA-NSHDSACASA-N -1 0 300.355 -0.069 20 0 DBADRM CC[C@@H]1COCCN1CCNC(=O)c1cc(C(=O)[O-])nn1C ZINC001605180966 1018541587 /nfs/dbraw/zinc/54/15/87/1018541587.db2.gz UBQAHKVFBNZFNO-SNVBAGLBSA-N -1 0 310.354 -0.041 20 0 DBADRM CC/C=C\[C@@H](OC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-] ZINC001605187520 1018542924 /nfs/dbraw/zinc/54/29/24/1018542924.db2.gz WTMVWSYJBKNPKL-WWQCOOJYSA-N -1 0 310.310 -0.058 20 0 DBADRM Cc1cc(COCC(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)on1 ZINC001605170845 1018543098 /nfs/dbraw/zinc/54/30/98/1018543098.db2.gz GVYULVMPMPTNGL-SNVBAGLBSA-N -1 0 312.278 -0.272 20 0 DBADRM CC[C@@H]1CN(C(=O)NCCOCC(=O)[O-])C[C@H](C)S1(=O)=O ZINC001605171063 1018544076 /nfs/dbraw/zinc/54/40/76/1018544076.db2.gz QWLLGGBSEKEDRU-VHSXEESVSA-N -1 0 322.383 -0.305 20 0 DBADRM CCC[C@@H](C(=O)N1CC[C@@](OC)(C(=O)[O-])C1)S(N)(=O)=O ZINC001605192684 1018545457 /nfs/dbraw/zinc/54/54/57/1018545457.db2.gz NSPFWGAWJNYEEV-KWQFWETISA-N -1 0 308.356 -0.854 20 0 DBADRM CCCC(=O)N1CCN(C2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CC1 ZINC001605190728 1018545948 /nfs/dbraw/zinc/54/59/48/1018545948.db2.gz FEQKSRSLYNSMJY-CHWSQXEVSA-N -1 0 323.393 -0.138 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c(N(C)C)nn1 ZINC001605194291 1018546174 /nfs/dbraw/zinc/54/61/74/1018546174.db2.gz AGFJKUGYKQSKMP-SNVBAGLBSA-N -1 0 321.337 -0.135 20 0 DBADRM Cc1cc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)cn(C)c1=O ZINC001605192100 1018546327 /nfs/dbraw/zinc/54/63/27/1018546327.db2.gz CCEZMYCOGOXOLL-NSHDSACASA-N -1 0 321.333 -0.045 20 0 DBADRM Cc1cc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)cn(C)c1=O ZINC001605192099 1018547597 /nfs/dbraw/zinc/54/75/97/1018547597.db2.gz CCEZMYCOGOXOLL-LLVKDONJSA-N -1 0 321.333 -0.045 20 0 DBADRM CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001605191079 1018548211 /nfs/dbraw/zinc/54/82/11/1018548211.db2.gz SVNXWTIRHCUIMI-MRTMQBJTSA-N -1 0 304.368 -0.362 20 0 DBADRM Cc1cc2n[nH]cc2cc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001605223473 1018549854 /nfs/dbraw/zinc/54/98/54/1018549854.db2.gz CPUSYJKYLLYEJL-CQSZACIVSA-N -1 0 320.305 -0.238 20 0 DBADRM Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)COCC(=O)[O-] ZINC001605225072 1018549914 /nfs/dbraw/zinc/54/99/14/1018549914.db2.gz MQCKEUVITGDLOS-UHFFFAOYSA-N -1 0 316.335 -0.009 20 0 DBADRM CCCC[C@@H](NC(N)=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001605245735 1018550069 /nfs/dbraw/zinc/55/00/69/1018550069.db2.gz HZXGOZJOGPWBPD-AEJSXWLSSA-N -1 0 301.343 -0.086 20 0 DBADRM CCC[C@H](O)[C@H](CO)NC(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001605217721 1018551102 /nfs/dbraw/zinc/55/11/02/1018551102.db2.gz MWDPIBYXMUUHGO-IUCAKERBSA-N -1 0 300.315 -0.238 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001605216875 1018551831 /nfs/dbraw/zinc/55/18/31/1018551831.db2.gz SIJBIUGAWIJXIJ-BONVTDFDSA-N -1 0 322.317 -0.578 20 0 DBADRM CCCCN(CCO)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001605277144 1018553563 /nfs/dbraw/zinc/55/35/63/1018553563.db2.gz NAJCVAVNZIMTGE-UHFFFAOYSA-N -1 0 312.326 -0.322 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001605289835 1018554059 /nfs/dbraw/zinc/55/40/59/1018554059.db2.gz PXXWUFAGWSLHMF-KOLCDFICSA-N -1 0 322.383 -0.858 20 0 DBADRM CCCN(C(=O)C(N)=O)[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001605299793 1018555383 /nfs/dbraw/zinc/55/53/83/1018555383.db2.gz SGRXNWAEEMPADY-SNVBAGLBSA-N -1 0 321.337 -0.523 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001605289212 1018555863 /nfs/dbraw/zinc/55/58/63/1018555863.db2.gz APKBVFZXEFNQGE-UHFFFAOYSA-N -1 0 322.383 -0.856 20 0 DBADRM CCCN1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])nn2)C1 ZINC001605321701 1018556670 /nfs/dbraw/zinc/55/66/70/1018556670.db2.gz IIFPMGUWPNJNPZ-NEPJUHHUSA-N -1 0 307.354 -0.118 20 0 DBADRM CCCN(CCO)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001605316365 1018557352 /nfs/dbraw/zinc/55/73/52/1018557352.db2.gz NFVHFEXKGFKBOC-NHYWBVRUSA-N -1 0 312.366 -0.069 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001605320415 1018557926 /nfs/dbraw/zinc/55/79/26/1018557926.db2.gz LYEXQCOAXAXNHA-UEKVPHQBSA-N -1 0 308.334 -0.113 20 0 DBADRM Cc1ccc(S(N)(=O)=O)c(N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC001605307345 1018558705 /nfs/dbraw/zinc/55/87/05/1018558705.db2.gz UXMFJOLUIGWFTD-SNVBAGLBSA-N -1 0 300.336 -0.068 20 0 DBADRM Cc1cccc(C(=O)C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC001605320609 1018559154 /nfs/dbraw/zinc/55/91/54/1018559154.db2.gz WDJGHXVOFPHMJY-UHFFFAOYSA-N -1 0 304.302 -0.067 20 0 DBADRM CCCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001605326396 1018559216 /nfs/dbraw/zinc/55/92/16/1018559216.db2.gz WCGSJMPMOSUODK-QMMMGPOBSA-N -1 0 324.337 -0.009 20 0 DBADRM CCCN1C[C@@H](C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])CC1=O ZINC001605322881 1018559418 /nfs/dbraw/zinc/55/94/18/1018559418.db2.gz WPGQNJMDUFGFIG-QWRGUYRKSA-N -1 0 308.338 -0.289 20 0 DBADRM CCCN1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])nn2)C1 ZINC001605321703 1018559640 /nfs/dbraw/zinc/55/96/40/1018559640.db2.gz IIFPMGUWPNJNPZ-NWDGAFQWSA-N -1 0 307.354 -0.118 20 0 DBADRM CCC[C@@H](NC(N)=O)C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001605354070 1018559973 /nfs/dbraw/zinc/55/99/73/1018559973.db2.gz PEKIUHQRSUMTBY-HTQZYQBOSA-N -1 0 303.315 -0.844 20 0 DBADRM COc1ncccc1C(=O)Cn1cncc(-c2nnn[n-]2)c1=O ZINC001605349526 1018559996 /nfs/dbraw/zinc/55/99/96/1018559996.db2.gz QAGURQKKVPJACH-UHFFFAOYSA-N -1 0 313.277 -0.290 20 0 DBADRM CCC[C@@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001605353868 1018562672 /nfs/dbraw/zinc/56/26/72/1018562672.db2.gz IBGKBZMYLWWERG-HTQZYQBOSA-N -1 0 311.298 -0.630 20 0 DBADRM CCC[C@@H](NCc1nccn1S(=O)(=O)N(C)C)C(=O)[O-] ZINC001605354636 1018563529 /nfs/dbraw/zinc/56/35/29/1018563529.db2.gz LXVWVSGRLJJICE-SECBINFHSA-N -1 0 304.372 -0.120 20 0 DBADRM Cc1cnc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(C)c1 ZINC001605374256 1018565888 /nfs/dbraw/zinc/56/58/88/1018565888.db2.gz YLMVCBJAUPMSNJ-GFCCVEGCSA-N -1 0 321.333 -0.373 20 0 DBADRM CSC1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001605369578 1018568049 /nfs/dbraw/zinc/56/80/49/1018568049.db2.gz MASKYYATEGLCFR-UHFFFAOYSA-N -1 0 308.371 -0.188 20 0 DBADRM CCN(C(=O)CN1C(=O)CNC1=O)c1ncc(C(=O)[O-])s1 ZINC001605396796 1018570568 /nfs/dbraw/zinc/57/05/68/1018570568.db2.gz ZHMIVFMQVLHISJ-UHFFFAOYSA-N -1 0 312.307 -0.254 20 0 DBADRM Cc1csc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC001605380310 1018571262 /nfs/dbraw/zinc/57/12/62/1018571262.db2.gz FVYMCKDHEZIKMP-MRVPVSSYSA-N -1 0 313.335 -0.620 20 0 DBADRM CCCn1ncnc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001605391275 1018571682 /nfs/dbraw/zinc/57/16/82/1018571682.db2.gz ZZRPSWKOFLHSNP-SECBINFHSA-N -1 0 302.356 -0.628 20 0 DBADRM Cc1conc1CS(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001605380949 1018571936 /nfs/dbraw/zinc/57/19/36/1018571936.db2.gz JDQUVKQOLWWRQA-CABZTGNLSA-N -1 0 316.335 -0.154 20 0 DBADRM CCCn1c(CO)nnc1S[C@H](C)C(=O)NCC(=O)[O-] ZINC001605385061 1018573241 /nfs/dbraw/zinc/57/32/41/1018573241.db2.gz JOLKNKIWUMCURM-SSDOTTSWSA-N -1 0 302.356 -0.138 20 0 DBADRM CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001605406364 1018574600 /nfs/dbraw/zinc/57/46/00/1018574600.db2.gz XPGNELLYMOPGRX-BBBLOLIVSA-N -1 0 316.379 -0.002 20 0 DBADRM CCN([C@H]1CCNC1=O)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001605411696 1018574815 /nfs/dbraw/zinc/57/48/15/1018574815.db2.gz XQUIBLDZVAKSGG-ZETCQYMHSA-N -1 0 316.339 -0.685 20 0 DBADRM Cc1nc(CN2CCN(C(=O)[C@]3(C(=O)[O-])CCCO3)CC2)no1 ZINC001605403620 1018574881 /nfs/dbraw/zinc/57/48/81/1018574881.db2.gz NNTDPLUCNPYBSE-AWEZNQCLSA-N -1 0 324.337 -0.344 20 0 DBADRM CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001605406363 1018575570 /nfs/dbraw/zinc/57/55/70/1018575570.db2.gz XPGNELLYMOPGRX-AEJSXWLSSA-N -1 0 316.379 -0.002 20 0 DBADRM CCN(C)C(=O)[C@H](C)N1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001605405777 1018575728 /nfs/dbraw/zinc/57/57/28/1018575728.db2.gz BJWRNPIYNUJKBR-GUBZILKMSA-N -1 0 311.338 -0.019 20 0 DBADRM Cc1nc(CN2CCN(C(=O)c3cc(C(=O)[O-])n[nH]3)CC2)no1 ZINC001605403646 1018576178 /nfs/dbraw/zinc/57/61/78/1018576178.db2.gz OZHVZCPCXLWGHY-UHFFFAOYSA-N -1 0 320.309 -0.243 20 0 DBADRM CCN(CC(=O)NCC(=O)NCC(=O)[O-])C(=O)OC(C)(C)C ZINC001605413426 1018576972 /nfs/dbraw/zinc/57/69/72/1018576972.db2.gz GFAACXYZCMMBOL-UHFFFAOYSA-N -1 0 317.342 -0.440 20 0 DBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC001605421307 1018577981 /nfs/dbraw/zinc/57/79/81/1018577981.db2.gz UTKNQSIEEDZWKB-JTQLQIEISA-N -1 0 315.351 -0.124 20 0 DBADRM Cc1ncc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c(N)n1 ZINC001605420087 1018578526 /nfs/dbraw/zinc/57/85/26/1018578526.db2.gz JNQMIKPIKHIBRI-JTQLQIEISA-N -1 0 321.337 -0.437 20 0 DBADRM Cc1ncc(CN(C)C(=O)C(=O)NCCOCC(=O)[O-])s1 ZINC001605420952 1018578923 /nfs/dbraw/zinc/57/89/23/1018578923.db2.gz XGSGKASWUNMSBA-UHFFFAOYSA-N -1 0 315.351 -0.373 20 0 DBADRM CCN(CC(C)(C)O)C(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001605418365 1018579426 /nfs/dbraw/zinc/57/94/26/1018579426.db2.gz YSZFTGPQNSASKA-NXEZZACHSA-N -1 0 316.354 -0.694 20 0 DBADRM Cc1ncc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c(N)n1 ZINC001605420106 1018580600 /nfs/dbraw/zinc/58/06/00/1018580600.db2.gz JNQMIKPIKHIBRI-SNVBAGLBSA-N -1 0 321.337 -0.437 20 0 DBADRM CCN(CCC(=O)NC)C(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001605438610 1018583341 /nfs/dbraw/zinc/58/33/41/1018583341.db2.gz BTUFIYPIPOJXBQ-SNVBAGLBSA-N -1 0 313.354 -0.563 20 0 DBADRM CCN(CC)S(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001605432826 1018584025 /nfs/dbraw/zinc/58/40/25/1018584025.db2.gz XMMIMECHWWSZJK-VIFPVBQESA-N -1 0 307.372 -0.762 20 0 DBADRM CCN(CCO)C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001605448136 1018585012 /nfs/dbraw/zinc/58/50/12/1018585012.db2.gz VJHRRSFEQSPHCG-UHFFFAOYSA-N -1 0 310.306 -0.071 20 0 DBADRM Cc1nnc2n1C[C@H](C(=O)N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)CC2 ZINC001605444631 1018585197 /nfs/dbraw/zinc/58/51/97/1018585197.db2.gz MXWGLGRMCJEHSK-UEKVPHQBSA-N -1 0 320.349 -0.291 20 0 DBADRM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)CCNC(N)=O ZINC001605448113 1018586133 /nfs/dbraw/zinc/58/61/33/1018586133.db2.gz UGMVLDUGZNAXMZ-UHFFFAOYSA-N -1 0 324.341 -0.506 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)n1C ZINC001605441102 1018586284 /nfs/dbraw/zinc/58/62/84/1018586284.db2.gz OLYRNOLTHSWBLJ-WCBMZHEXSA-N -1 0 323.353 -0.691 20 0 DBADRM Cc1nnc(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)n1C ZINC001605444226 1018586361 /nfs/dbraw/zinc/58/63/61/1018586361.db2.gz ADSYGCBEHOWXCW-UHFFFAOYSA-N -1 0 316.339 -0.658 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)n1C ZINC001605441352 1018586504 /nfs/dbraw/zinc/58/65/04/1018586504.db2.gz UQYVQVRAPHSFGI-WCBMZHEXSA-N -1 0 323.353 -0.691 20 0 DBADRM Cc1nn(CCS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c(=O)o1 ZINC001605440952 1018586570 /nfs/dbraw/zinc/58/65/70/1018586570.db2.gz OFTFQNKLCOZPHH-SECBINFHSA-N -1 0 319.339 -0.586 20 0 DBADRM CCN(CCO)C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001605447938 1018586675 /nfs/dbraw/zinc/58/66/75/1018586675.db2.gz NINXLNMREYDFQE-LBPRGKRZSA-N -1 0 322.317 -0.294 20 0 DBADRM C[C@@]1(O)C[C@H](NS(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001605448333 1018586984 /nfs/dbraw/zinc/58/69/84/1018586984.db2.gz VZCJXVDWRRLWGR-DGFRNANFSA-N -1 0 310.339 -0.547 20 0 DBADRM CCN(CCNc1ccnc(C(=O)[O-])n1)C(=O)[C@H]1COCCO1 ZINC001605447852 1018587845 /nfs/dbraw/zinc/58/78/45/1018587845.db2.gz LIILJSVZBCZWBB-SNVBAGLBSA-N -1 0 324.337 -0.728 20 0 DBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001605459892 1018588195 /nfs/dbraw/zinc/58/81/95/1018588195.db2.gz VZUNHWWDHRRWCD-VIFPVBQESA-N -1 0 317.319 -0.083 20 0 DBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001605459891 1018589131 /nfs/dbraw/zinc/58/91/31/1018589131.db2.gz VZUNHWWDHRRWCD-SECBINFHSA-N -1 0 317.319 -0.083 20 0 DBADRM Cc1noc(CNC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)n1 ZINC001605450005 1018591327 /nfs/dbraw/zinc/59/13/27/1018591327.db2.gz XAEQXZQCVQJUFR-VXNVDRBHSA-N -1 0 310.310 -0.437 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c1=O ZINC001605467106 1018592001 /nfs/dbraw/zinc/59/20/01/1018592001.db2.gz QYUZJASIYDWDOS-JTQLQIEISA-N -1 0 318.289 -0.693 20 0 DBADRM CCN1C[C@H](CNC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1=O ZINC001605471062 1018592862 /nfs/dbraw/zinc/59/28/62/1018592862.db2.gz YOIJVXBSQKHYFU-JTQLQIEISA-N -1 0 321.333 -0.469 20 0 DBADRM CCN1C(=O)N[C@H](c2cn(CC(=O)[O-])nn2)C(C(=O)OC)=C1C ZINC001605466075 1018593414 /nfs/dbraw/zinc/59/34/14/1018593414.db2.gz MNSIQDODKMUECR-LLVKDONJSA-N -1 0 323.309 -0.104 20 0 DBADRM CCN(Cc1cn(C)nn1)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001605461699 1018593795 /nfs/dbraw/zinc/59/37/95/1018593795.db2.gz JNHPBJGBAKMHOS-UHFFFAOYSA-N -1 0 302.356 -0.026 20 0 DBADRM CCN(c1cc[nH+]c(C(=O)[O-])n1)[C@H](C)CNC(=O)c1nnc[n-]1 ZINC001605464783 1018593812 /nfs/dbraw/zinc/59/38/12/1018593812.db2.gz PGYPJQSGMXYTIH-MRVPVSSYSA-N -1 0 319.325 -0.062 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c1=O ZINC001605467107 1018594602 /nfs/dbraw/zinc/59/46/02/1018594602.db2.gz QYUZJASIYDWDOS-SNVBAGLBSA-N -1 0 318.289 -0.693 20 0 DBADRM Cn1c(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c[nH]c1=O ZINC001605468111 1018594922 /nfs/dbraw/zinc/59/49/22/1018594922.db2.gz XTEVCTPASLDVSF-MRVPVSSYSA-N -1 0 310.310 -0.679 20 0 DBADRM CCN1C(=O)[C@@H]2CN(C(=O)c3c[nH]c(C(=O)[O-])c3)CCN2C1=O ZINC001605464980 1018594975 /nfs/dbraw/zinc/59/49/75/1018594975.db2.gz RJCLYPZDPZJWJT-JTQLQIEISA-N -1 0 320.305 -0.179 20 0 DBADRM Cn1c(N2CC[C@@](C)(C(=O)[O-])C2)nnc1[C@]1(C)CNC(=O)C1 ZINC001605466814 1018595098 /nfs/dbraw/zinc/59/50/98/1018595098.db2.gz YDDQVPXIKLXARX-KGLIPLIRSA-N -1 0 307.354 -0.106 20 0 DBADRM Cn1c(N2CCC[C@H](C(=O)[O-])C2)nnc1[C@@]1(C)CNC(=O)C1 ZINC001605466586 1018595347 /nfs/dbraw/zinc/59/53/47/1018595347.db2.gz NENVZDDMTCVHHK-LKFCYVNXSA-N -1 0 307.354 -0.106 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001605480565 1018596525 /nfs/dbraw/zinc/59/65/25/1018596525.db2.gz ZGIOKZBQKLBZMM-UHFFFAOYSA-N -1 0 309.322 -0.128 20 0 DBADRM CCN1CC[C@H](OC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1=O ZINC001605472592 1018596964 /nfs/dbraw/zinc/59/69/64/1018596964.db2.gz SICNSNRMYDOCRU-ZJUUUORDSA-N -1 0 312.322 -0.526 20 0 DBADRM Cn1cc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)ccc1=O ZINC001605480986 1018597612 /nfs/dbraw/zinc/59/76/12/1018597612.db2.gz BETCNJCSTKKMDJ-LLVKDONJSA-N -1 0 321.333 -0.419 20 0 DBADRM Cc1c(C(=O)NCc2nc(=O)o[n-]2)cccc1-c1nn[nH]n1 ZINC001605480510 1018598902 /nfs/dbraw/zinc/59/89/02/1018598902.db2.gz WSVNLDVLMOAOFF-UHFFFAOYSA-N -1 0 301.266 -0.219 20 0 DBADRM CCN1CC[C@H]1CNC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001605476216 1018599012 /nfs/dbraw/zinc/59/90/12/1018599012.db2.gz WUEAYOPYOVRHPL-NWDGAFQWSA-N -1 0 323.393 -0.090 20 0 DBADRM CCN1OC[C@H](N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)C1=O ZINC001605485325 1018599652 /nfs/dbraw/zinc/59/96/52/1018599652.db2.gz GJSXILGPIPEXMX-SMDDNHRTSA-N -1 0 313.354 -0.990 20 0 DBADRM Cn1cc(C(N)=O)c(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)n1 ZINC001605483270 1018600067 /nfs/dbraw/zinc/60/00/67/1018600067.db2.gz GDFKPZHVRRILOE-HTQZYQBOSA-N -1 0 310.310 -0.273 20 0 DBADRM Cn1cc([C@@H]2CCCN([C@H]3CCN(CC(=O)[O-])C3=O)C2)nn1 ZINC001605488153 1018600507 /nfs/dbraw/zinc/60/05/07/1018600507.db2.gz DQZUETWTKGMISQ-PWSUYJOCSA-N -1 0 307.354 -0.320 20 0 DBADRM CCN1CCOC[C@@H]1C(=O)NCCNc1ncc(C(=O)[O-])cn1 ZINC001605486948 1018601164 /nfs/dbraw/zinc/60/11/64/1018601164.db2.gz UXKGDUFVABVTAX-LLVKDONJSA-N -1 0 323.353 -0.576 20 0 DBADRM Cn1cc(C(N)=O)c(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)n1 ZINC001605483271 1018601251 /nfs/dbraw/zinc/60/12/51/1018601251.db2.gz GDFKPZHVRRILOE-JGVFFNPUSA-N -1 0 310.310 -0.273 20 0 DBADRM Cn1cc([C@]2(CNC(=O)[C@@H]3CC(C(=O)[O-])=NO3)CCCO2)cn1 ZINC001605483648 1018602419 /nfs/dbraw/zinc/60/24/19/1018602419.db2.gz LJNAJEWLELJWSW-SMDDNHRTSA-N -1 0 322.321 -0.229 20 0 DBADRM CCNC(=O)C(C)(C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001605487628 1018602657 /nfs/dbraw/zinc/60/26/57/1018602657.db2.gz XIWWGUIHSFHPGX-SECBINFHSA-N -1 0 313.354 -0.660 20 0 DBADRM CCNC(=O)CCC(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001605490914 1018603420 /nfs/dbraw/zinc/60/34/20/1018603420.db2.gz YGNQLKXGSUVDDO-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM CCNC(=O)CC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001605489503 1018604411 /nfs/dbraw/zinc/60/44/11/1018604411.db2.gz IXZGJBSQRBXVLT-JTQLQIEISA-N -1 0 321.337 -0.286 20 0 DBADRM CCNC(=O)CCC(=O)NCCN(C)c1ccnc(C(=O)[O-])n1 ZINC001605489504 1018604497 /nfs/dbraw/zinc/60/44/97/1018604497.db2.gz JAEKYDDFCJJHAL-UHFFFAOYSA-N -1 0 323.353 -0.357 20 0 DBADRM Cn1cc(CCNC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)cn1 ZINC001605491239 1018605015 /nfs/dbraw/zinc/60/50/15/1018605015.db2.gz STXIFTIKHYMMEL-UHFFFAOYSA-N -1 0 317.305 -0.189 20 0 DBADRM CCNC(=O)CCC(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001605490915 1018605143 /nfs/dbraw/zinc/60/51/43/1018605143.db2.gz YGNQLKXGSUVDDO-VHSXEESVSA-N -1 0 314.338 -0.233 20 0 DBADRM Cn1cc(C[C@H]2CCN(C(=O)C(=O)NCCC(=O)[O-])C2)cn1 ZINC001605490799 1018605280 /nfs/dbraw/zinc/60/52/80/1018605280.db2.gz BZEQMSLSHWPWIP-SNVBAGLBSA-N -1 0 308.338 -0.598 20 0 DBADRM Cn1ccc(CCn2nnnc2N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC001605505433 1018606356 /nfs/dbraw/zinc/60/63/56/1018606356.db2.gz IAFNSPRBHNEXAV-ZDUSSCGKSA-N -1 0 305.342 -0.050 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCc1cc(=O)c(O)cn1C ZINC001605502080 1018606419 /nfs/dbraw/zinc/60/64/19/1018606419.db2.gz WMAZCXXDPVFQLN-UHFFFAOYSA-N -1 0 306.278 -0.547 20 0 DBADRM Cn1ccc(NC(=O)CNC(=O)C2(C(=O)[O-])CCOCC2)n1 ZINC001605505782 1018606485 /nfs/dbraw/zinc/60/64/85/1018606485.db2.gz PIGACFSIXZJIGM-UHFFFAOYSA-N -1 0 310.310 -0.644 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N[C@@]3(C(=O)[O-])CCOC3)CC2=O)cn1 ZINC001605502132 1018606551 /nfs/dbraw/zinc/60/65/51/1018606551.db2.gz YIFOUMGAVHCUAG-XPTSAGLGSA-N -1 0 322.321 -0.867 20 0 DBADRM CCOC(=O)[C@](C)(O)CNS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001605507056 1018607679 /nfs/dbraw/zinc/60/76/79/1018607679.db2.gz CIHCESBYCFKDHB-SNVBAGLBSA-N -1 0 309.340 -0.915 20 0 DBADRM CCOC(=O)[C@H](C)C1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001605508669 1018607729 /nfs/dbraw/zinc/60/77/29/1018607729.db2.gz SFWLZJCOQWWMIZ-MRVPVSSYSA-N -1 0 310.310 -0.366 20 0 DBADRM Cn1cc(N2CCC[C@@H](NC(=O)C(=O)NCCC(=O)[O-])C2)cn1 ZINC001605501473 1018608194 /nfs/dbraw/zinc/60/81/94/1018608194.db2.gz GKLFQBAIDUZCQK-SNVBAGLBSA-N -1 0 323.353 -0.904 20 0 DBADRM Cn1cc(N2C[C@@H](C(=O)N[C@]3(C(=O)[O-])CCOC3)CC2=O)cn1 ZINC001605502129 1018608308 /nfs/dbraw/zinc/60/83/08/1018608308.db2.gz YIFOUMGAVHCUAG-LKFCYVNXSA-N -1 0 322.321 -0.867 20 0 DBADRM CCOC(=O)[C@@](C)(O)CNS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001605507039 1018608342 /nfs/dbraw/zinc/60/83/42/1018608342.db2.gz CIHCESBYCFKDHB-JTQLQIEISA-N -1 0 309.340 -0.915 20 0 DBADRM CCOC(=O)[C@@H](C)C1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001605508671 1018608430 /nfs/dbraw/zinc/60/84/30/1018608430.db2.gz SFWLZJCOQWWMIZ-QMMMGPOBSA-N -1 0 310.310 -0.366 20 0 DBADRM Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001605512458 1018610599 /nfs/dbraw/zinc/61/05/99/1018610599.db2.gz UDVIAGPUUHKXRY-GHMZBOCLSA-N -1 0 320.349 -0.331 20 0 DBADRM Cn1ccnc1COCC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001605512420 1018611313 /nfs/dbraw/zinc/61/13/13/1018611313.db2.gz RBZWLDFGAKCUMC-HZMBPMFUSA-N -1 0 309.322 -0.504 20 0 DBADRM Cn1ccnc1CN1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001605512605 1018611414 /nfs/dbraw/zinc/61/14/14/1018611414.db2.gz XUQCBHJVWZJQJV-HNNXBMFYSA-N -1 0 322.365 -0.302 20 0 DBADRM CCOC(=O)[C@H](CC(=O)N1CC[C@](OC)(C(=O)[O-])C1)C(C)=O ZINC001605509805 1018611709 /nfs/dbraw/zinc/61/17/09/1018611709.db2.gz VDSNWBVCGFFWHA-QMTHXVAHSA-N -1 0 315.322 -0.153 20 0 DBADRM Cn1ccnc1[C@H]1CCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001605512591 1018611737 /nfs/dbraw/zinc/61/17/37/1018611737.db2.gz XQLLGTUFNDOQIR-VIFPVBQESA-N -1 0 304.310 -0.274 20 0 DBADRM CCOC(=O)[C@]1(CNC(=O)COCC(=O)[O-])CCCOC1 ZINC001605519159 1018611785 /nfs/dbraw/zinc/61/17/85/1018611785.db2.gz BFQFALDQJFKRET-ZDUSSCGKSA-N -1 0 303.311 -0.436 20 0 DBADRM CCOC(=O)C1(O)CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC001605521580 1018613175 /nfs/dbraw/zinc/61/31/75/1018613175.db2.gz ZACUXSOXZPINFD-VIFPVBQESA-N -1 0 323.367 -0.573 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001605532198 1018613757 /nfs/dbraw/zinc/61/37/57/1018613757.db2.gz DOOIVEUXVWGFMY-ZANVPECISA-N -1 0 313.310 -0.843 20 0 DBADRM CCOC(=O)[C@@H]1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001605526991 1018613849 /nfs/dbraw/zinc/61/38/49/1018613849.db2.gz PUWRMATWAGCXHO-SSDOTTSWSA-N -1 0 317.323 -0.318 20 0 DBADRM Cn1cnnc1CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001605522209 1018614393 /nfs/dbraw/zinc/61/43/93/1018614393.db2.gz ALAMEESAMVXYKT-UHFFFAOYSA-N -1 0 304.266 -0.837 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@](C)(CO)C(=O)[O-])C1 ZINC001605525654 1018614404 /nfs/dbraw/zinc/61/44/04/1018614404.db2.gz DFHGUGMAURETLF-YGRLFVJLSA-N -1 0 316.354 -0.787 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@@H](CO)[C@H](O)c1ccccn1 ZINC001605533401 1018614491 /nfs/dbraw/zinc/61/44/91/1018614491.db2.gz CNPPBMAUTFMCIU-CMPLNLGQSA-N -1 0 320.305 -0.662 20 0 DBADRM Cn1cncc1CC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605523125 1018615029 /nfs/dbraw/zinc/61/50/29/1018615029.db2.gz RVIUYXMMQQQWOO-LLVKDONJSA-N -1 0 308.338 -0.456 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])[C@H]2C[C@H]21 ZINC001605537944 1018616195 /nfs/dbraw/zinc/61/61/95/1018616195.db2.gz VJOBURNKOQXSRT-QCLAVDOMSA-N -1 0 305.352 -0.032 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC001605538890 1018617186 /nfs/dbraw/zinc/61/71/86/1018617186.db2.gz JLGAFERTJKVOID-MRVPVSSYSA-N -1 0 302.356 -0.758 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001605536978 1018617396 /nfs/dbraw/zinc/61/73/96/1018617396.db2.gz PGWAOMXOZWHLLB-NXEZZACHSA-N -1 0 323.367 -0.573 20 0 DBADRM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CC(=O)NCC(=O)[O-] ZINC001605535527 1018617571 /nfs/dbraw/zinc/61/75/71/1018617571.db2.gz RKDBKKSAVIATLG-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])CC1 ZINC001605535190 1018617862 /nfs/dbraw/zinc/61/78/62/1018617862.db2.gz NTMFJJOOQFBQDX-SNVBAGLBSA-N -1 0 309.340 -0.773 20 0 DBADRM Cn1nc(C(=O)[O-])cc1CN1CC[C@H](NS(C)(=O)=O)C1 ZINC001605538891 1018618091 /nfs/dbraw/zinc/61/80/91/1018618091.db2.gz JLGAFERTJKVOID-QMMMGPOBSA-N -1 0 302.356 -0.758 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC001605538861 1018618316 /nfs/dbraw/zinc/61/83/16/1018618316.db2.gz IUHOWVFWSUAUJP-UHFFFAOYSA-N -1 0 306.282 -0.999 20 0 DBADRM Cn1nc(C(F)(F)F)cc1NC(=O)C(=O)NCCC(=O)[O-] ZINC001605545587 1018619556 /nfs/dbraw/zinc/61/95/56/1018619556.db2.gz OPAPUHQENNKQIS-UHFFFAOYSA-N -1 0 308.216 -0.032 20 0 DBADRM CCOC(=O)NCCCC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001605550764 1018619679 /nfs/dbraw/zinc/61/96/79/1018619679.db2.gz BWHMDURODBEAQY-SECBINFHSA-N -1 0 315.326 -0.734 20 0 DBADRM CCOCCN1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001605637025 1018641178 /nfs/dbraw/zinc/64/11/78/1018641178.db2.gz JEKPTTSECMLFEF-UHFFFAOYSA-N -1 0 320.411 -0.022 20 0 DBADRM Cn1ncc(C(=O)[O-])c1CN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001605550608 1018620984 /nfs/dbraw/zinc/62/09/84/1018620984.db2.gz RVBAQOQBXKTFDH-ZDUSSCGKSA-N -1 0 322.365 -0.059 20 0 DBADRM Cn1ncc(Br)c1C(=O)OCC(=O)NCC(=O)[O-] ZINC001605553155 1018621181 /nfs/dbraw/zinc/62/11/81/1018621181.db2.gz DPGYWXIIEMGJCB-UHFFFAOYSA-N -1 0 320.099 -0.460 20 0 DBADRM Cn1ncc(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)n1 ZINC001605559366 1018623333 /nfs/dbraw/zinc/62/33/33/1018623333.db2.gz SENGSMMWEMDKAL-UHFFFAOYSA-N -1 0 303.278 -0.232 20 0 DBADRM Cn1ncc2c1nnn(CN1C[C@@H](C(=O)[O-])[C@H](C3CC3)C1)c2=O ZINC001605561308 1018623426 /nfs/dbraw/zinc/62/34/26/1018623426.db2.gz BQVSCRXRMIVEBB-WDEREUQCSA-N -1 0 318.337 -0.475 20 0 DBADRM Cn1ncc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1C1CC1 ZINC001605559403 1018623433 /nfs/dbraw/zinc/62/34/33/1018623433.db2.gz VOKWMHZNJFTVAG-NSHDSACASA-N -1 0 313.379 -0.019 20 0 DBADRM CCOC(=O)[C@H](C)OC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001605557698 1018624089 /nfs/dbraw/zinc/62/40/89/1018624089.db2.gz DIOFGJPQZRXGSL-IUCAKERBSA-N -1 0 301.295 -0.196 20 0 DBADRM Cn1nccc1[C@H](NC(=O)C(=O)Nc1cnsn1)C(=O)[O-] ZINC001605561631 1018624548 /nfs/dbraw/zinc/62/45/48/1018624548.db2.gz KPNMWZAATGGEIC-ZETCQYMHSA-N -1 0 310.295 -0.848 20 0 DBADRM Cn1ncc(Cn2cc(CN3CCC(C(=O)[O-])CC3)nn2)n1 ZINC001605559317 1018624743 /nfs/dbraw/zinc/62/47/43/1018624743.db2.gz OQGGAFKCNXWWLS-UHFFFAOYSA-N -1 0 305.342 -0.249 20 0 DBADRM Cn1nccc1[C@H](NCC(=O)NCc1cccnc1)C(=O)[O-] ZINC001605567539 1018624961 /nfs/dbraw/zinc/62/49/61/1018624961.db2.gz FSGFOXQQTCHXFX-ZDUSSCGKSA-N -1 0 303.322 -0.153 20 0 DBADRM Cn1ncc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1C1CC1 ZINC001605559402 1018625245 /nfs/dbraw/zinc/62/52/45/1018625245.db2.gz VOKWMHZNJFTVAG-LLVKDONJSA-N -1 0 313.379 -0.019 20 0 DBADRM CC[C@@H](C)C(=O)N[C@@]1(CO)CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001501304461 1018625496 /nfs/dbraw/zinc/62/54/96/1018625496.db2.gz UTSDLDBESXCEDQ-YGRLFVJLSA-N -1 0 311.386 -0.001 20 0 DBADRM Cn1nccc1[C@H](NCc1ccc(S(N)(=O)=O)o1)C(=O)[O-] ZINC001605568638 1018625631 /nfs/dbraw/zinc/62/56/31/1018625631.db2.gz YAKCWXYIRDNPMA-JTQLQIEISA-N -1 0 314.323 -0.424 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001605563942 1018625729 /nfs/dbraw/zinc/62/57/29/1018625729.db2.gz RLJSYOJHKVUQPB-SCZZXKLOSA-N -1 0 315.351 -0.513 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001605571111 1018626683 /nfs/dbraw/zinc/62/66/83/1018626683.db2.gz KKUKIBDXKWCKTF-UHFFFAOYSA-N -1 0 318.293 -0.356 20 0 DBADRM CCOC(=O)c1ncc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)s1 ZINC001605582614 1018626746 /nfs/dbraw/zinc/62/67/46/1018626746.db2.gz MHPUMWZPYYPRFR-VDTYLAMSSA-N -1 0 302.308 -0.116 20 0 DBADRM Cn1nccc1[C@]1(O)C[C@H]2CC[C@@H](C1)N2C(=O)COCC(=O)[O-] ZINC001605571096 1018627017 /nfs/dbraw/zinc/62/70/17/1018627017.db2.gz JGVBMWKELIQXAY-HBYGRHMLSA-N -1 0 323.349 -0.138 20 0 DBADRM Cn1nnnc1C1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001605576114 1018628578 /nfs/dbraw/zinc/62/85/78/1018628578.db2.gz HWSQXYSSOCIYEG-ZDUSSCGKSA-N -1 0 309.326 -0.450 20 0 DBADRM CCOC(Cn1cc(C(=O)N[C@H](CO)C(=O)[O-])cn1)OCC ZINC001605592648 1018630926 /nfs/dbraw/zinc/63/09/26/1018630926.db2.gz DGYIGLPWMFUPDA-SNVBAGLBSA-N -1 0 315.326 -0.543 20 0 DBADRM CCOC1(CS(=O)(=O)N[C@H](CF)C(=O)[O-])CCOCC1 ZINC001605595940 1018631503 /nfs/dbraw/zinc/63/15/03/1018631503.db2.gz PPCNHEBJSHXDKN-SECBINFHSA-N -1 0 313.347 -0.086 20 0 DBADRM CCO[C@H]1C[C@@](NCC(=O)NC(=O)NC)(C(=O)[O-])C1(C)C ZINC001605608420 1018632123 /nfs/dbraw/zinc/63/21/23/1018632123.db2.gz PUBPLZJCCKRLAV-ISVAXAHUSA-N -1 0 301.343 -0.310 20 0 DBADRM CCOC(C)(C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001605589652 1018633033 /nfs/dbraw/zinc/63/30/33/1018633033.db2.gz PILBXYNZEZEYHF-QPUJVOFHSA-N -1 0 307.368 -0.194 20 0 DBADRM CCO[C@@H]1C[C@](NC(=O)COCC(=O)OC)(C(=O)[O-])C1(C)C ZINC001605604978 1018633047 /nfs/dbraw/zinc/63/30/47/1018633047.db2.gz PXWNKHQIVABLPQ-OTYXRUKQSA-N -1 0 317.338 -0.049 20 0 DBADRM CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605617050 1018634118 /nfs/dbraw/zinc/63/41/18/1018634118.db2.gz WHEVKKCGWPVLEW-VLEAKVRGSA-N -1 0 314.338 -0.724 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1nnn2cc(C)[nH]c(=O)c12 ZINC001605622596 1018634492 /nfs/dbraw/zinc/63/44/92/1018634492.db2.gz UHJBRFUTUBGZLQ-MRVPVSSYSA-N -1 0 323.309 -0.300 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001605623842 1018634909 /nfs/dbraw/zinc/63/49/09/1018634909.db2.gz GQZXDFHWWJAQED-VIFPVBQESA-N -1 0 309.326 -0.010 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CN(C)S(=O)(=O)CC ZINC001605620431 1018635727 /nfs/dbraw/zinc/63/57/27/1018635727.db2.gz IEIAKVYXQZRECZ-SECBINFHSA-N -1 0 310.372 -0.784 20 0 DBADRM CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605617051 1018635941 /nfs/dbraw/zinc/63/59/41/1018635941.db2.gz WHEVKKCGWPVLEW-YTWAJWBKSA-N -1 0 314.338 -0.724 20 0 DBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)COCc1nncn1C ZINC001605620617 1018636033 /nfs/dbraw/zinc/63/60/33/1018636033.db2.gz MOJWIDXDFLGOCX-VIFPVBQESA-N -1 0 300.315 -0.720 20 0 DBADRM CCOC1CC2(C[C@@H]2C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC001605615399 1018636320 /nfs/dbraw/zinc/63/63/20/1018636320.db2.gz MPNBIENUBHZIIH-WWALYXLFSA-N -1 0 310.350 -0.007 20 0 DBADRM CCOC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001605626390 1018636979 /nfs/dbraw/zinc/63/69/79/1018636979.db2.gz VINTYXSHOWVTNZ-AXFHLTTASA-N -1 0 314.338 -0.770 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC001605626786 1018637218 /nfs/dbraw/zinc/63/72/18/1018637218.db2.gz MCPWOYFDAUIVHV-IUCAKERBSA-N -1 0 312.326 -0.487 20 0 DBADRM NC(=O)CN1CCCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001605631925 1018637273 /nfs/dbraw/zinc/63/72/73/1018637273.db2.gz SGMYLNHDCQEMFH-UHFFFAOYSA-N -1 0 306.322 -0.587 20 0 DBADRM NC(=O)C1=NO[C@@H](CNC(=O)C2(CC(=O)[O-])CCOCC2)C1 ZINC001605626450 1018637855 /nfs/dbraw/zinc/63/78/55/1018637855.db2.gz FMBNRNJTVUNCFG-MRVPVSSYSA-N -1 0 313.310 -0.996 20 0 DBADRM NC(=O)CC1(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC001605627740 1018637964 /nfs/dbraw/zinc/63/79/64/1018637964.db2.gz NKHWRIZDMHAJRN-QMMMGPOBSA-N -1 0 305.356 -0.975 20 0 DBADRM CCOCCCNC(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001605632517 1018638312 /nfs/dbraw/zinc/63/83/12/1018638312.db2.gz JJBXJVVYBWFPEO-ZDUSSCGKSA-N -1 0 302.327 -0.769 20 0 DBADRM NC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001605627854 1018638342 /nfs/dbraw/zinc/63/83/42/1018638342.db2.gz QLZQAXBUHVGDKH-ZJUUUORDSA-N -1 0 311.338 -0.824 20 0 DBADRM CCOC[C@H]1CN(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])CCO1 ZINC001605626068 1018638344 /nfs/dbraw/zinc/63/83/44/1018638344.db2.gz MATSSKUBDPTQCG-TUAOUCFPSA-N -1 0 316.354 -0.077 20 0 DBADRM NC(=O)C1=NO[C@H](CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)C1 ZINC001605626784 1018638878 /nfs/dbraw/zinc/63/88/78/1018638878.db2.gz MCPWOYFDAUIVHV-BDAKNGLRSA-N -1 0 312.326 -0.487 20 0 DBADRM NC(=O)[C@H]1CCCCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001605627400 1018638917 /nfs/dbraw/zinc/63/89/17/1018638917.db2.gz AJJSXWXWKOVDQC-SNVBAGLBSA-N -1 0 307.306 -0.587 20 0 DBADRM NC(=O)CN1CCN(C(=O)Nc2ccccc2C(=O)[O-])CC1=O ZINC001605631981 1018639017 /nfs/dbraw/zinc/63/90/17/1018639017.db2.gz WOYRXQSHUNVZTC-UHFFFAOYSA-N -1 0 320.305 -0.454 20 0 DBADRM CCOCCS(=O)(=O)NCC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC001605641149 1018640028 /nfs/dbraw/zinc/64/00/28/1018640028.db2.gz TVDCORQCOTXNSV-VHSXEESVSA-N -1 0 322.383 -0.688 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)o1 ZINC001605638478 1018640364 /nfs/dbraw/zinc/64/03/64/1018640364.db2.gz CAYAPBZWQRVIKQ-MRVPVSSYSA-N -1 0 323.305 -0.426 20 0 DBADRM CCOCCOCCN(C)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001605639912 1018640695 /nfs/dbraw/zinc/64/06/95/1018640695.db2.gz WYGBHNQBCBFPMC-UHFFFAOYSA-N -1 0 300.315 -0.512 20 0 DBADRM NC(=O)c1ccc(/C=C\C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)o1 ZINC001605638419 1018640755 /nfs/dbraw/zinc/64/07/55/1018640755.db2.gz ARRLJEBLHGBTDH-WUWIAWFRSA-N -1 0 322.273 -0.380 20 0 DBADRM CCOCCNC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001605636813 1018641139 /nfs/dbraw/zinc/64/11/39/1018641139.db2.gz FESZKUZQBNMULS-NSHDSACASA-N -1 0 315.370 -0.854 20 0 DBADRM NC(=O)c1cccc2c1CCN([C@@H]1CCN(CC(=O)[O-])C1=O)C2 ZINC001605642926 1018641195 /nfs/dbraw/zinc/64/11/95/1018641195.db2.gz NJIVJWLNRUXFHC-CYBMUJFWSA-N -1 0 317.345 -0.171 20 0 DBADRM CCOCCN(CC)C(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001605635649 1018641454 /nfs/dbraw/zinc/64/14/54/1018641454.db2.gz IULRVRGGKXOPKM-MNOVXSKESA-N -1 0 316.354 -0.428 20 0 DBADRM CCOCCOCCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001605639034 1018641632 /nfs/dbraw/zinc/64/16/32/1018641632.db2.gz IDRFEAIHXSSEPE-GFCCVEGCSA-N -1 0 318.370 -0.093 20 0 DBADRM CCON(C)C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001605647873 1018642133 /nfs/dbraw/zinc/64/21/33/1018642133.db2.gz ZSYMUDSIKCXJDR-UHFFFAOYSA-N -1 0 317.323 -0.532 20 0 DBADRM NS(=O)(=O)NC1CCN(C(=O)C2(CC(=O)[O-])CCC2)CC1 ZINC001605650169 1018642218 /nfs/dbraw/zinc/64/22/18/1018642218.db2.gz UBIYLNFIXORSIJ-UHFFFAOYSA-N -1 0 319.383 -0.585 20 0 DBADRM NS(=O)(=O)C1(CNC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CC1 ZINC001605643394 1018642281 /nfs/dbraw/zinc/64/22/81/1018642281.db2.gz SHERTMYVFFTOGP-IUCAKERBSA-N -1 0 320.367 -0.806 20 0 DBADRM CCO[C@@H]1COC[C@H]1N1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O ZINC001605651752 1018643913 /nfs/dbraw/zinc/64/39/13/1018643913.db2.gz RTNKSFMUMIZKBC-LNFKQOIKSA-N -1 0 312.322 -0.082 20 0 DBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001605643589 1018644041 /nfs/dbraw/zinc/64/40/41/1018644041.db2.gz ZZETWADGRWPBAP-KXUCPTDWSA-N -1 0 319.383 -0.298 20 0 DBADRM O=C(CN1CCS(=O)(=O)C[C@H]1C(=O)[O-])NC1CCCCC1 ZINC001605693737 1018645300 /nfs/dbraw/zinc/64/53/00/1018645300.db2.gz CKYWNZNFVVPILB-NSHDSACASA-N -1 0 318.395 -0.381 20 0 DBADRM Cc1cc(COC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)n(C)n1 ZINC001605662904 1018645707 /nfs/dbraw/zinc/64/57/07/1018645707.db2.gz HWNZVXPKMAUWLM-MRVPVSSYSA-N -1 0 317.313 -0.195 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[C@H]1CCCn3ncnc31)C2 ZINC001605660816 1018646832 /nfs/dbraw/zinc/64/68/32/1018646832.db2.gz WAEJUALZTSOSJD-BHDSKKPTSA-N -1 0 306.322 -0.285 20 0 DBADRM Cc1cc(CN(C)c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)no1 ZINC001605655627 1018647030 /nfs/dbraw/zinc/64/70/30/1018647030.db2.gz MUIRYCWTMXLUHV-UHFFFAOYSA-N -1 0 318.297 -0.813 20 0 DBADRM Nc1nnn(CC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC001605660464 1018647192 /nfs/dbraw/zinc/64/71/92/1018647192.db2.gz ONPQABIOBNQOTQ-UWVGGRQHSA-N -1 0 302.294 -0.315 20 0 DBADRM Cc1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c(=O)n(C)c1 ZINC001605707625 1018649062 /nfs/dbraw/zinc/64/90/62/1018649062.db2.gz ALCIWBAYRXASSM-UHFFFAOYSA-N -1 0 315.297 -0.896 20 0 DBADRM O=C([O-])c1cnc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cn1 ZINC001605703993 1018649698 /nfs/dbraw/zinc/64/96/98/1018649698.db2.gz DEDIXVGJVQVNGH-QMMMGPOBSA-N -1 0 309.278 -0.373 20 0 DBADRM Cc1cc(NC(=O)Cn2cc(-c3nnn[n-]3)ccc2=O)no1 ZINC001605707974 1018650221 /nfs/dbraw/zinc/65/02/21/1018650221.db2.gz GESJRBAVWWFPGS-UHFFFAOYSA-N -1 0 301.266 -0.036 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC001605726552 1018651593 /nfs/dbraw/zinc/65/15/93/1018651593.db2.gz VZHAQDHNZHWHIQ-PHDIDXHHSA-N -1 0 320.289 -0.164 20 0 DBADRM CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001605726843 1018652114 /nfs/dbraw/zinc/65/21/14/1018652114.db2.gz MYSAFIKFORZUBU-SNVBAGLBSA-N -1 0 316.383 -0.068 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001605726206 1018652208 /nfs/dbraw/zinc/65/22/08/1018652208.db2.gz PMGHEGYDOMZEFE-VQVTYTSYSA-N -1 0 314.310 -0.604 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001605727655 1018652314 /nfs/dbraw/zinc/65/23/14/1018652314.db2.gz LFGMEJXIHPVBCN-UHFFFAOYSA-N -1 0 319.343 -0.821 20 0 DBADRM CCS(=O)(=O)NCCN(C)[C@H](COC1CCC1)C(=O)[O-] ZINC001605727448 1018652402 /nfs/dbraw/zinc/65/24/02/1018652402.db2.gz FDIUHYGLTWZIBC-LLVKDONJSA-N -1 0 308.400 -0.120 20 0 DBADRM CCS(=O)(=O)NCC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC001605727822 1018652413 /nfs/dbraw/zinc/65/24/13/1018652413.db2.gz PFTORUMHTRIMOW-DTWKUNHWSA-N -1 0 308.356 -0.984 20 0 DBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)O[C@H](C)C(=O)C(=O)[O-])C1 ZINC001605725890 1018652577 /nfs/dbraw/zinc/65/25/77/1018652577.db2.gz KXVVEVZUJHEPBG-BDAKNGLRSA-N -1 0 321.351 -0.367 20 0 DBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001605726524 1018652734 /nfs/dbraw/zinc/65/27/34/1018652734.db2.gz VCNIPQCJLNCNPS-GMSGAONNSA-N -1 0 310.397 -0.609 20 0 DBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)COCC(=O)[O-])CC1 ZINC001605726429 1018652757 /nfs/dbraw/zinc/65/27/57/1018652757.db2.gz BYPPUWRCALNHOT-UHFFFAOYSA-N -1 0 322.383 -0.640 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001605725647 1018653228 /nfs/dbraw/zinc/65/32/28/1018653228.db2.gz XQEMIIGJVCNPOR-UHFFFAOYSA-N -1 0 315.351 -0.323 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1)C(N)=O ZINC001605748848 1018654140 /nfs/dbraw/zinc/65/41/40/1018654140.db2.gz IADCHYVUKQDBAY-SECBINFHSA-N -1 0 301.324 -0.370 20 0 DBADRM CC[S@@](=O)CCNC(=O)C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC001605737116 1018654163 /nfs/dbraw/zinc/65/41/63/1018654163.db2.gz SZYSGOLPKJSICM-ZGFOBKASSA-N -1 0 318.395 -0.560 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccc(F)cc1 ZINC001605731660 1018654748 /nfs/dbraw/zinc/65/47/48/1018654748.db2.gz QZECGEATARIQOH-VHSXEESVSA-N -1 0 316.310 -0.241 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC001605742622 1018654845 /nfs/dbraw/zinc/65/48/45/1018654845.db2.gz BVOADDOWMKNAOT-WCBMZHEXSA-N -1 0 310.310 -0.722 20 0 DBADRM O=C([O-])C1CCC(NC(=O)C(=O)N2CCn3ncnc3C2)CC1 ZINC001605743818 1018654931 /nfs/dbraw/zinc/65/49/31/1018654931.db2.gz BSOXJIKYOOCZBD-UHFFFAOYSA-N -1 0 321.337 -0.620 20 0 DBADRM O=C([O-])C1CCC(NC(=O)c2cnn(C[C@@H](O)CO)c2)CC1 ZINC001605743893 1018657021 /nfs/dbraw/zinc/65/70/21/1018657021.db2.gz KEJHUYLXYDIUKO-QEWOUOOISA-N -1 0 311.338 -0.391 20 0 DBADRM CCS(=O)(=O)NCC(=O)OCc1cccc(C(=O)[O-])n1 ZINC001605727980 1018657033 /nfs/dbraw/zinc/65/70/33/1018657033.db2.gz SSWHDHGGJQWWAD-UHFFFAOYSA-N -1 0 302.308 -0.238 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCc3c[nH]nc32)CCO1 ZINC001605749308 1018657684 /nfs/dbraw/zinc/65/76/84/1018657684.db2.gz IULZVICTOUFJFG-NXEZZACHSA-N -1 0 322.321 -0.785 20 0 DBADRM O=C([O-])c1ccnc(NC(=O)NCC(=O)N2CCOCC2)c1 ZINC001605753073 1018658618 /nfs/dbraw/zinc/65/86/18/1018658618.db2.gz XTEALRKPGXPARG-UHFFFAOYSA-N -1 0 308.294 -0.240 20 0 DBADRM O=C([O-])C1(CNC(=O)NC[C@@]2(OCCO)CCOC2)CCC1 ZINC001605764463 1018658697 /nfs/dbraw/zinc/65/86/97/1018658697.db2.gz GHDDEINGQGTIRN-AWEZNQCLSA-N -1 0 316.354 -0.292 20 0 DBADRM O=C([O-])C1(CNC(=O)N2CCOC[C@H]2CCO)CCOCC1 ZINC001605761181 1018658906 /nfs/dbraw/zinc/65/89/06/1018658906.db2.gz VPEKCACZPPAFRW-LLVKDONJSA-N -1 0 316.354 -0.339 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001605752513 1018660099 /nfs/dbraw/zinc/66/00/99/1018660099.db2.gz BHFYQRQEJKEMAM-NXEZZACHSA-N -1 0 306.322 -0.684 20 0 DBADRM CCc1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001605786150 1018660909 /nfs/dbraw/zinc/66/09/09/1018660909.db2.gz WALTZTLBAYYTAU-WDEREUQCSA-N -1 0 320.349 -0.119 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)cc1C(=O)N1C[C@H](CO)[C@H](CO)C1 ZINC001605791535 1018661787 /nfs/dbraw/zinc/66/17/87/1018661787.db2.gz VXLLKKVKOUPOGB-TXEJJXNPSA-N -1 0 317.349 -0.152 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)c(NC[C@H]2CC(C(N)=O)=NO2)n1 ZINC001605778789 1018662911 /nfs/dbraw/zinc/66/29/11/1018662911.db2.gz JLAKPYMZCWMIJT-SSDOTTSWSA-N -1 0 302.298 -0.388 20 0 DBADRM CCc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n(C)n1 ZINC001605785242 1018663369 /nfs/dbraw/zinc/66/33/69/1018663369.db2.gz PZANZTRMAQHTKC-GHMZBOCLSA-N -1 0 320.349 -0.356 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N[C@@H]2COC[C@H]2O)c(F)c1 ZINC001605847137 1018664763 /nfs/dbraw/zinc/66/47/63/1018664763.db2.gz WAHSHQOWFBZSON-NXEZZACHSA-N -1 0 312.253 -0.662 20 0 DBADRM CCc1nnc(CNS(=O)(=O)c2cncc(C(=O)[O-])c2)[nH]1 ZINC001605853275 1018665460 /nfs/dbraw/zinc/66/54/60/1018665460.db2.gz YDGCUKHUISADJY-UHFFFAOYSA-N -1 0 311.323 -0.061 20 0 DBADRM O=C([O-])[C@H]1C[C@H](NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)C1 ZINC001605837541 1018665590 /nfs/dbraw/zinc/66/55/90/1018665590.db2.gz QHHBTKIFVPBQAT-VNOQCFOKSA-N -1 0 319.317 -0.063 20 0 DBADRM O=C([O-])c1cc(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)[nH]n1 ZINC001605844788 1018666032 /nfs/dbraw/zinc/66/60/32/1018666032.db2.gz FXIDZNQKKGIPQK-ZETCQYMHSA-N -1 0 306.282 -0.012 20 0 DBADRM CCC1N=NC(=S)N1CCNC(=O)[C@@H]([NH3+])CCC(=O)[O-] ZINC001605873389 1018668077 /nfs/dbraw/zinc/66/80/77/1018668077.db2.gz IFHHWPXQIZBYQX-ZETCQYMHSA-N -1 0 301.372 -0.563 20 0 DBADRM O=C([O-])c1cncc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC001605871060 1018669136 /nfs/dbraw/zinc/66/91/36/1018669136.db2.gz MNXDNDZMXPUEQM-RKDXNWHRSA-N -1 0 315.307 -0.941 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001605866576 1018669192 /nfs/dbraw/zinc/66/91/92/1018669192.db2.gz NFQCGZVQMYUOHX-SCZZXKLOSA-N -1 0 317.367 -0.155 20 0 DBADRM CCc1noc2ncc(C(=O)NCC(=O)NCC(=O)[O-])cc12 ZINC001605877825 1018669266 /nfs/dbraw/zinc/66/92/66/1018669266.db2.gz QZLDXRGUYAWBDO-UHFFFAOYSA-N -1 0 306.278 -0.284 20 0 DBADRM CCc1nnc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)o1 ZINC001605869781 1018669553 /nfs/dbraw/zinc/66/95/53/1018669553.db2.gz LIJRVOXXLBXRHE-CQSZACIVSA-N -1 0 310.354 -0.007 20 0 DBADRM CCc1nn(C)cc1S(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001605866308 1018669815 /nfs/dbraw/zinc/66/98/15/1018669815.db2.gz IEOWAMCCVJRCEH-LLVKDONJSA-N -1 0 303.340 -0.807 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)C(=O)Nc1cnns1 ZINC001605874354 1018670304 /nfs/dbraw/zinc/67/03/04/1018670304.db2.gz XKZFOYCQQZOMCO-MRVPVSSYSA-N -1 0 321.318 -0.316 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001605863517 1018670361 /nfs/dbraw/zinc/67/03/61/1018670361.db2.gz VHBKPURHTSAYOX-NXEZZACHSA-N -1 0 314.319 -0.336 20 0 DBADRM CCn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1[C@@](C)(O)COC ZINC001605911649 1018671156 /nfs/dbraw/zinc/67/11/56/1018671156.db2.gz MQUOCBADJBMMFZ-ZANVPECISA-N -1 0 314.342 -0.558 20 0 DBADRM O=C([O-])[C@@H](C(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1)C1CC1 ZINC001605901487 1018672430 /nfs/dbraw/zinc/67/24/30/1018672430.db2.gz RGERJSXLQGUROQ-LLVKDONJSA-N -1 0 321.337 -0.042 20 0 DBADRM CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001605914741 1018672677 /nfs/dbraw/zinc/67/26/77/1018672677.db2.gz RAZXKRUBFJFNFI-XPTSAGLGSA-N -1 0 323.353 -0.071 20 0 DBADRM CCn1c2ccccc2n(CC(=O)NCC[C@H](O)C(=O)[O-])c1=O ZINC001605904198 1018672712 /nfs/dbraw/zinc/67/27/12/1018672712.db2.gz XHKYRDFRWQRIJV-LBPRGKRZSA-N -1 0 321.333 -0.225 20 0 DBADRM CCn1c(Br)ncc1C(=O)N[C@H](CO)C(=O)[O-] ZINC001605907159 1018673254 /nfs/dbraw/zinc/67/32/54/1018673254.db2.gz YFKWJNRIAYVGKU-RXMQYKEDSA-N -1 0 306.116 -0.159 20 0 DBADRM CCn1cc(C(=O)NCCN(C)c2ccnc(C(=O)[O-])n2)nn1 ZINC001605917278 1018674029 /nfs/dbraw/zinc/67/40/29/1018674029.db2.gz MYYPPQICMBFWJI-UHFFFAOYSA-N -1 0 319.325 -0.348 20 0 DBADRM O=C([O-])[C@]1(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CCCO1 ZINC001605917285 1018674129 /nfs/dbraw/zinc/67/41/29/1018674129.db2.gz NLLJDEHHRQZOJE-VDDIYKPWSA-N -1 0 303.336 -0.877 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H](CO)Cc2ccncc2)CCOCC1 ZINC001605917636 1018674683 /nfs/dbraw/zinc/67/46/83/1018674683.db2.gz VDPRRKWJHUSICB-GFCCVEGCSA-N -1 0 308.334 -0.017 20 0 DBADRM CCn1cc(C(=O)C(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)cn1 ZINC001605915792 1018675088 /nfs/dbraw/zinc/67/50/88/1018675088.db2.gz ZTANGGTXFYNZJV-JTQLQIEISA-N -1 0 305.294 -0.239 20 0 DBADRM CCn1cc(C(=O)C(=O)NCCn2cc(C(=O)[O-])nn2)cn1 ZINC001605915562 1018675608 /nfs/dbraw/zinc/67/56/08/1018675608.db2.gz SJTPJOTWRHOICX-UHFFFAOYSA-N -1 0 306.282 -0.808 20 0 DBADRM CCn1cc(CCN2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cn1 ZINC001605920320 1018675643 /nfs/dbraw/zinc/67/56/43/1018675643.db2.gz IYORGAUKUPKEQZ-QWHCGFSZSA-N -1 0 306.366 -0.033 20 0 DBADRM CCn1cc(S(=O)(=O)N[C@H](CC2OCCO2)C(=O)[O-])cn1 ZINC001605925070 1018676539 /nfs/dbraw/zinc/67/65/39/1018676539.db2.gz RJDLBPJGVWBSTH-SECBINFHSA-N -1 0 319.339 -0.603 20 0 DBADRM CCn1cnc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001605932100 1018676719 /nfs/dbraw/zinc/67/67/19/1018676719.db2.gz CXXRCNNSPMOFSL-MNOVXSKESA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1ccnc1C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605931459 1018676897 /nfs/dbraw/zinc/67/68/97/1018676897.db2.gz PLZWJZYTBLJDKJ-QWRGUYRKSA-N -1 0 320.349 -0.188 20 0 DBADRM CCn1ccnc1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001605931199 1018677114 /nfs/dbraw/zinc/67/71/14/1018677114.db2.gz LAWNRLOAWYXARZ-VIFPVBQESA-N -1 0 315.351 -0.383 20 0 DBADRM CCn1cnc2c1CCN(C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C2 ZINC001605932248 1018677361 /nfs/dbraw/zinc/67/73/61/1018677361.db2.gz DRNZYYSIEFDTAP-AOOOYVTPSA-N -1 0 320.349 -0.233 20 0 DBADRM O=C([O-])C1(C(=O)NCCn2cnccc2=O)CCSCC1 ZINC001605930486 1018677493 /nfs/dbraw/zinc/67/74/93/1018677493.db2.gz DVRZVEVXWNNKPV-UHFFFAOYSA-N -1 0 311.363 -0.043 20 0 DBADRM CCn1nc(C)c(CNC(=O)N2CC[C@](OC)(C(=O)[O-])C2)n1 ZINC001605939847 1018677535 /nfs/dbraw/zinc/67/75/35/1018677535.db2.gz OEFFZJWKUDUICO-CYBMUJFWSA-N -1 0 311.342 -0.008 20 0 DBADRM CCn1cnnc1CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001605933799 1018677544 /nfs/dbraw/zinc/67/75/44/1018677544.db2.gz KRCZIVIPEUMXCV-UHFFFAOYSA-N -1 0 311.323 -0.130 20 0 DBADRM CCn1ccc(C(=O)N(C)CCNc2ccnc(C(=O)[O-])n2)n1 ZINC001605925124 1018677946 /nfs/dbraw/zinc/67/79/46/1018677946.db2.gz ACAISKIAGKOJQC-UHFFFAOYSA-N -1 0 318.337 -0.003 20 0 DBADRM CCn1cnc(S(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC001605932704 1018678203 /nfs/dbraw/zinc/67/82/03/1018678203.db2.gz QNOJWDKORZYLKJ-NSHDSACASA-N -1 0 317.367 -0.251 20 0 DBADRM CCn1ncc(CN2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001605940815 1018679294 /nfs/dbraw/zinc/67/92/94/1018679294.db2.gz GMKHXEDLSVZVNO-RYUDHWBXSA-N -1 0 307.354 -0.433 20 0 DBADRM CCn1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001605941137 1018679378 /nfs/dbraw/zinc/67/93/78/1018679378.db2.gz OFPKNEUSDFVQCG-IQIPOGNMSA-N -1 0 307.354 -0.245 20 0 DBADRM CCn1nccc1CN(CCO)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001605945101 1018679472 /nfs/dbraw/zinc/67/94/72/1018679472.db2.gz JOALHAKFOSINSA-UHFFFAOYSA-N -1 0 322.325 -0.786 20 0 DBADRM CCn1ncc(CN2C(=O)[C@H]3C[C@@H](C(=O)[O-])CCN3C2=O)n1 ZINC001605941127 1018679866 /nfs/dbraw/zinc/67/98/66/1018679866.db2.gz OCEMJRYLNNQIHN-WCBMZHEXSA-N -1 0 307.310 -0.075 20 0 DBADRM CCn1nc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])cc1C1CC1 ZINC001605940418 1018679939 /nfs/dbraw/zinc/67/99/39/1018679939.db2.gz GXLQCXIDUPJQMA-SECBINFHSA-N -1 0 324.337 -0.329 20 0 DBADRM CCn1nncc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605946754 1018680342 /nfs/dbraw/zinc/68/03/42/1018680342.db2.gz CVYRUFKPISKBMR-ZJUUUORDSA-N -1 0 321.337 -0.699 20 0 DBADRM O=C([O-])C1(C(=O)OC[C@@H]2CCOC2)CCS(=O)(=O)CC1 ZINC001605950772 1018681545 /nfs/dbraw/zinc/68/15/45/1018681545.db2.gz DUTZJXHIICCGOK-SECBINFHSA-N -1 0 306.336 -0.154 20 0 DBADRM CN(C(=O)C(=O)N1CC[C@@H](C(C)(C)O)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605952358 1018682212 /nfs/dbraw/zinc/68/22/12/1018682212.db2.gz UPYWXYDJGZHEPW-MXWKQRLJSA-N -1 0 312.366 -0.073 20 0 DBADRM CN(C(=O)CC(N)=O)C1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001605957773 1018683246 /nfs/dbraw/zinc/68/32/46/1018683246.db2.gz RCJJFWFOXKQFNU-UHFFFAOYSA-N -1 0 321.337 -0.523 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CC(c3[nH]nc4c3COCC4)C2)C1 ZINC001605963433 1018684388 /nfs/dbraw/zinc/68/43/88/1018684388.db2.gz BAVLGOWDNMPAFL-NSHDSACASA-N -1 0 320.305 -0.362 20 0 DBADRM CN(C(=O)CCS(C)(=O)=O)[C@@H](COC1CCC1)C(=O)[O-] ZINC001605962094 1018684684 /nfs/dbraw/zinc/68/46/84/1018684684.db2.gz WJASFJHLHMLCMF-JTQLQIEISA-N -1 0 307.368 -0.098 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NC[C@H](CO)Cc2cccnc2)C1 ZINC001605967592 1018684929 /nfs/dbraw/zinc/68/49/29/1018684929.db2.gz JTUOTWXVOOHFAZ-PWSUYJOCSA-N -1 0 307.306 -0.422 20 0 DBADRM CN(C(=O)Cc1cc[nH]n1)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001605966452 1018685336 /nfs/dbraw/zinc/68/53/36/1018685336.db2.gz MXBXXYDUWILHAD-GHMZBOCLSA-N -1 0 306.322 -0.658 20 0 DBADRM CN(C(=O)NC[C@H](F)C(=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC001605971261 1018685507 /nfs/dbraw/zinc/68/55/07/1018685507.db2.gz MKEWGSSEVAIEBR-YUMQZZPRSA-N -1 0 311.335 -0.916 20 0 DBADRM CN(C(=O)CCc1nnc[nH]1)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001605960670 1018686235 /nfs/dbraw/zinc/68/62/35/1018686235.db2.gz FHTUECICKVAVQI-VHSXEESVSA-N -1 0 321.337 -0.873 20 0 DBADRM CN(C(=O)c1cnc[nH]c1=O)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605977829 1018687247 /nfs/dbraw/zinc/68/72/47/1018687247.db2.gz UQBULQZPPLXRPV-BDAKNGLRSA-N -1 0 320.305 -0.814 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CCC(Cn3ccnn3)CC2)C1 ZINC001605977413 1018687493 /nfs/dbraw/zinc/68/74/93/1018687493.db2.gz KXZXPAOHHSSUOW-LBPRGKRZSA-N -1 0 307.354 -0.119 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(CN2CCN(c3cnccn3)CC2)C1 ZINC001605977023 1018687554 /nfs/dbraw/zinc/68/75/54/1018687554.db2.gz IPZABOBIMFPUAY-NSHDSACASA-N -1 0 305.338 -0.511 20 0 DBADRM CN(C(=O)c1ccnnc1)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001605985372 1018687648 /nfs/dbraw/zinc/68/76/48/1018687648.db2.gz JEBSSXDIQHKGNH-WDEREUQCSA-N -1 0 304.306 -0.520 20 0 DBADRM CN(C)C(=O)C1(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001605990963 1018688244 /nfs/dbraw/zinc/68/82/44/1018688244.db2.gz CMICDUGFBYWHDU-SECBINFHSA-N -1 0 321.337 -0.382 20 0 DBADRM CN(C)C(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001605991370 1018688309 /nfs/dbraw/zinc/68/83/09/1018688309.db2.gz SAEXLZKCYCTHLO-UHFFFAOYSA-N -1 0 307.306 -0.543 20 0 DBADRM CN(C(=O)c1nc[nH]n1)[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001605988522 1018689045 /nfs/dbraw/zinc/68/90/45/1018689045.db2.gz GLOYAVVWXZMWNX-SECBINFHSA-N -1 0 317.309 -0.356 20 0 DBADRM Cc1cnn(C)c1NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001605989854 1018689055 /nfs/dbraw/zinc/68/90/55/1018689055.db2.gz QHDFYFJQJQRNAM-ZETCQYMHSA-N -1 0 302.302 -0.300 20 0 DBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)CC3COC3)CC2)C1 ZINC001605974630 1018689219 /nfs/dbraw/zinc/68/92/19/1018689219.db2.gz UFZZSMZUGNNOSP-LLVKDONJSA-N -1 0 310.350 -0.053 20 0 DBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 ZINC001605973612 1018689290 /nfs/dbraw/zinc/68/92/90/1018689290.db2.gz BTHNQPSOGFCNNQ-JTQLQIEISA-N -1 0 320.349 -0.124 20 0 DBADRM O=C([O-])[C@@H]1CCCN1Cc1cn(C[C@@H](O)Cn2cccn2)nn1 ZINC001605999684 1018690129 /nfs/dbraw/zinc/69/01/29/1018690129.db2.gz WZLGKYBLQXKHSM-STQMWFEESA-N -1 0 320.353 -0.415 20 0 DBADRM O=C([O-])[C@@H]1CCCN1Cc1cn(Cc2ncnn2CCF)nn1 ZINC001605998880 1018690973 /nfs/dbraw/zinc/69/09/73/1018690973.db2.gz OWRKNSXVCKKKLA-NSHDSACASA-N -1 0 323.332 -0.064 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC001605999835 1018691156 /nfs/dbraw/zinc/69/11/56/1018691156.db2.gz AVHAYALWGVZPDK-JTQLQIEISA-N -1 0 309.326 -0.498 20 0 DBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)NC[C@H](F)C(=O)[O-])C1 ZINC001606001979 1018693064 /nfs/dbraw/zinc/69/30/64/1018693064.db2.gz KBNTXNVQYDAQOP-BDAKNGLRSA-N -1 0 304.322 -0.146 20 0 DBADRM CN(C)C(=O)c1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC001606007771 1018694153 /nfs/dbraw/zinc/69/41/53/1018694153.db2.gz VFTUNXJHXGHDNL-SNVBAGLBSA-N -1 0 316.335 -0.888 20 0 DBADRM CN(C)C(=O)NCCNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001606002139 1018694500 /nfs/dbraw/zinc/69/45/00/1018694500.db2.gz RXYOPLMJMLSKSU-UHFFFAOYSA-N -1 0 307.372 -0.568 20 0 DBADRM O=C([O-])C1CCN(S(=O)(=O)N2CC(=O)N(C3CC3)C2)CC1 ZINC001606022452 1018696613 /nfs/dbraw/zinc/69/66/13/1018696613.db2.gz STWPDHAMIKPJLL-UHFFFAOYSA-N -1 0 317.367 -0.708 20 0 DBADRM Cc1nc(C)c(C(=O)Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)o1 ZINC001606036337 1018703387 /nfs/dbraw/zinc/70/33/87/1018703387.db2.gz YXEAZLXCJNAXAB-UHFFFAOYSA-N -1 0 317.265 -0.383 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001606038013 1018703801 /nfs/dbraw/zinc/70/38/01/1018703801.db2.gz SOOVVGVCVZFNOU-NSHDSACASA-N -1 0 308.356 -0.982 20 0 DBADRM O=C([O-])[C@@H]1CCN(c2nnnn2CC(=O)N2CCCCC2)C1 ZINC001606031066 1018703828 /nfs/dbraw/zinc/70/38/28/1018703828.db2.gz ZWGXPADVEDZDTH-SNVBAGLBSA-N -1 0 308.342 -0.404 20 0 DBADRM O=C([O-])[C@H]1CCN(c2nnnn2CC(=O)N2CCCCC2)C1 ZINC001606031065 1018704532 /nfs/dbraw/zinc/70/45/32/1018704532.db2.gz ZWGXPADVEDZDTH-JTQLQIEISA-N -1 0 308.342 -0.404 20 0 DBADRM O=C([O-])[C@H]1COCCN1C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001606048191 1018705265 /nfs/dbraw/zinc/70/52/65/1018705265.db2.gz ZOTLQAVVKGQHTQ-OUAUKWLOSA-N -1 0 322.317 -0.750 20 0 DBADRM Cc1nc(CNC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)oc1C ZINC001606042796 1018705457 /nfs/dbraw/zinc/70/54/57/1018705457.db2.gz DBBUBUPQCFGMJX-SSDOTTSWSA-N -1 0 317.313 -0.060 20 0 DBADRM O=C([O-])[C@@H]1CN(CN2C(=O)[C@@]3(CCCO3)[C@H]2C2CC2)CCO1 ZINC001606046447 1018705502 /nfs/dbraw/zinc/70/55/02/1018705502.db2.gz OOKLEKYKBYLBSR-YWPYICTPSA-N -1 0 310.350 -0.101 20 0 DBADRM CN(C)S(=O)(=O)N1CC(N[C@@H](C(=O)[O-])c2cccnc2)C1 ZINC001606039103 1018705994 /nfs/dbraw/zinc/70/59/94/1018705994.db2.gz LDSHJMNOUPIBPR-LLVKDONJSA-N -1 0 314.367 -0.713 20 0 DBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001606044862 1018706076 /nfs/dbraw/zinc/70/60/76/1018706076.db2.gz CYYIMOVRRCYOOK-DYBLOJMWSA-N -1 0 313.401 -0.398 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cncc(F)c1 ZINC001606056973 1018708238 /nfs/dbraw/zinc/70/82/38/1018708238.db2.gz INUJWVIZGVTWQD-VIFPVBQESA-N -1 0 302.283 -0.456 20 0 DBADRM CCO[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001501436083 1018708544 /nfs/dbraw/zinc/70/85/44/1018708544.db2.gz TVEUDBOMXJPJLI-DTWKUNHWSA-N -1 0 314.342 -0.944 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CSC(F)F ZINC001606054066 1018709325 /nfs/dbraw/zinc/70/93/25/1018709325.db2.gz ZPIOGABVEIVQKO-RXMQYKEDSA-N -1 0 303.308 -0.348 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(=O)[nH]c1 ZINC001606053641 1018709878 /nfs/dbraw/zinc/70/98/78/1018709878.db2.gz DLYRPVLUVKFAQX-SECBINFHSA-N -1 0 314.319 -0.960 20 0 DBADRM CN(C)c1n[nH]c(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)n1 ZINC001606070191 1018710751 /nfs/dbraw/zinc/71/07/51/1018710751.db2.gz JVGJSZRBJROYNG-UHFFFAOYSA-N -1 0 317.371 -0.455 20 0 DBADRM CN(CC(=O)N[C@@H](CC1CC1)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001606079472 1018710837 /nfs/dbraw/zinc/71/08/37/1018710837.db2.gz KIZOANVPUUGKLG-QWRGUYRKSA-N -1 0 318.395 -0.525 20 0 DBADRM O=C([O-])CC1(C(=O)N2CCC[C@](O)(CO)C2)CCOCC1 ZINC001606070674 1018710849 /nfs/dbraw/zinc/71/08/49/1018710849.db2.gz NIIMZHBCQFMKKQ-CQSZACIVSA-N -1 0 301.339 -0.396 20 0 DBADRM CN(CC(=O)N1CCOCC1)C(=O)c1csc(C(=O)[O-])n1 ZINC001606076107 1018712139 /nfs/dbraw/zinc/71/21/39/1018712139.db2.gz MGDIHVKOVOBAPX-UHFFFAOYSA-N -1 0 313.335 -0.228 20 0 DBADRM CN(CC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001606075459 1018712280 /nfs/dbraw/zinc/71/22/80/1018712280.db2.gz BYJJRJBFPYEWSU-AEJSXWLSSA-N -1 0 322.358 -0.871 20 0 DBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2CCNC(=O)CC2)C1 ZINC001606090307 1018714157 /nfs/dbraw/zinc/71/41/57/1018714157.db2.gz GOGJATDNANSHSO-SNVBAGLBSA-N -1 0 311.338 -0.952 20 0 DBADRM CN(CC(=O)NCC1(C(=O)[O-])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001606080779 1018715130 /nfs/dbraw/zinc/71/51/30/1018715130.db2.gz PILINMGPLMLOML-SECBINFHSA-N -1 0 304.368 -0.914 20 0 DBADRM CN(C[C@@H]1CCOC1)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001606101135 1018716522 /nfs/dbraw/zinc/71/65/22/1018716522.db2.gz QMWXBQLPZYACON-JTQLQIEISA-N -1 0 301.343 -0.355 20 0 DBADRM CN(CC1CC1)S(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001606096874 1018716658 /nfs/dbraw/zinc/71/66/58/1018716658.db2.gz RQLSDLWLOXPYDG-SNVBAGLBSA-N -1 0 319.383 -0.762 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)CCCCC(=O)[O-] ZINC001606095676 1018717006 /nfs/dbraw/zinc/71/70/06/1018717006.db2.gz NVZYPRGMJZFRRB-LBPRGKRZSA-N -1 0 302.371 -0.217 20 0 DBADRM CN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1=O ZINC001606186469 1018717346 /nfs/dbraw/zinc/71/73/46/1018717346.db2.gz GHDBTOSQPOXCDL-RTHLEPHNSA-N -1 0 323.305 -0.880 20 0 DBADRM CN(C[C@H](O)CNc1ncc(C(=O)[O-])cn1)C(=O)c1ccon1 ZINC001606095121 1018717210 /nfs/dbraw/zinc/71/72/10/1018717210.db2.gz HGQLKDWACGYFIC-SECBINFHSA-N -1 0 321.293 -0.292 20 0 DBADRM CN(C[C@H]1CCCN(C(=O)C(N)=O)C1)c1ncc(C(=O)[O-])cn1 ZINC001606101097 1018718106 /nfs/dbraw/zinc/71/81/06/1018718106.db2.gz RCVBNIVAVREJPF-SECBINFHSA-N -1 0 321.337 -0.665 20 0 DBADRM CN1C(=O)CC[C@H]1C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001606187436 1018718439 /nfs/dbraw/zinc/71/84/39/1018718439.db2.gz SHPBDFXEQDPRFM-IUCAKERBSA-N -1 0 300.311 -0.670 20 0 DBADRM CN(Cc1nnnn1C)C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001606179272 1018719302 /nfs/dbraw/zinc/71/93/02/1018719302.db2.gz KJIYZWZRDRELRK-GHMZBOCLSA-N -1 0 322.369 -0.646 20 0 DBADRM CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)NCCCCC(=O)[O-] ZINC001606099506 1018719342 /nfs/dbraw/zinc/71/93/42/1018719342.db2.gz GZSNLTMSCGITDT-WDEREUQCSA-N -1 0 300.355 -0.023 20 0 DBADRM CN(CC1CCCC1)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001606099557 1018719853 /nfs/dbraw/zinc/71/98/53/1018719853.db2.gz IYITZCGDHDTMAQ-NEPJUHHUSA-N -1 0 312.366 -0.071 20 0 DBADRM CN(Cc1nnc2n1CCC2)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001606178353 1018720068 /nfs/dbraw/zinc/72/00/68/1018720068.db2.gz FBWQCXQOFSPVFC-UHFFFAOYSA-N -1 0 305.298 -0.827 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NCCC2CS(=O)(=O)C2)CO1 ZINC001606108051 1018720645 /nfs/dbraw/zinc/72/06/45/1018720645.db2.gz PDBTVLYZGUOINI-GHMZBOCLSA-N -1 0 319.379 -0.193 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CC[C@@H](CO)[C@H](O)C2)CO1 ZINC001606108304 1018720896 /nfs/dbraw/zinc/72/08/96/1018720896.db2.gz RTMYHNHTYZHDNJ-NNYUYHANSA-N -1 0 301.339 -0.542 20 0 DBADRM CN1C(=O)CN(CC(=O)NCc2ccc(CC(=O)[O-])cc2)C1=O ZINC001606189101 1018720854 /nfs/dbraw/zinc/72/08/54/1018720854.db2.gz ANODAZJBCMZXBJ-UHFFFAOYSA-N -1 0 319.317 -0.176 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001606104540 1018721858 /nfs/dbraw/zinc/72/18/58/1018721858.db2.gz CSRQCCKXTXJXLT-MNOVXSKESA-N -1 0 306.384 -0.004 20 0 DBADRM CN(CC1(CO)CC1)C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001606109020 1018722191 /nfs/dbraw/zinc/72/21/91/1018722191.db2.gz VTUFYZJNHYCSHT-FTGAXOIBSA-N -1 0 310.350 -0.413 20 0 DBADRM CN1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])NCC1=O ZINC001606197285 1018722256 /nfs/dbraw/zinc/72/22/56/1018722256.db2.gz BXXWJZDCSFMXSR-NWDGAFQWSA-N -1 0 305.334 -0.771 20 0 DBADRM CN1CC(=O)N(CC(=O)NCc2ccc(CC(=O)[O-])cc2)C1=O ZINC001606196764 1018722430 /nfs/dbraw/zinc/72/24/30/1018722430.db2.gz MMFYCPFRTDWZBA-UHFFFAOYSA-N -1 0 319.317 -0.176 20 0 DBADRM Cc1nn(C)c(C)c1OCC(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001606109234 1018722935 /nfs/dbraw/zinc/72/29/35/1018722935.db2.gz SQLIWYPNWWQESE-UHFFFAOYSA-N -1 0 317.313 -0.042 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCCc2c(cnn2C)C1 ZINC001606105450 1018723091 /nfs/dbraw/zinc/72/30/91/1018723091.db2.gz KLPCGXMTGNGINH-UHFFFAOYSA-N -1 0 316.383 -0.180 20 0 DBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNc2ccnc(C(=O)[O-])n2)C1=O ZINC001606194174 1018723224 /nfs/dbraw/zinc/72/32/24/1018723224.db2.gz LFNQGWCJPHQQFF-RTHLEPHNSA-N -1 0 319.321 -0.271 20 0 DBADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NCc2cc(=O)[nH]c(=O)[nH]2)CO1 ZINC001606112046 1018723962 /nfs/dbraw/zinc/72/39/62/1018723962.db2.gz SCAXOVJZJLQONJ-IONNQARKSA-N -1 0 311.294 -0.226 20 0 DBADRM O=C([O-])CCNC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001606192450 1018724169 /nfs/dbraw/zinc/72/41/69/1018724169.db2.gz NWGXTFAQDSXSBR-NSHDSACASA-N -1 0 306.340 -0.940 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC001606190401 1018724412 /nfs/dbraw/zinc/72/44/12/1018724412.db2.gz XOARJUHTAHKWQM-UHFFFAOYSA-N -1 0 311.338 -0.906 20 0 DBADRM Cc1nn(C[C@H]2CCC3(COC3)O2)c(=O)c(-c2nnn[n-]2)c1C ZINC001606114141 1018725133 /nfs/dbraw/zinc/72/51/33/1018725133.db2.gz FBLXZJLFLBGGAI-SNVBAGLBSA-N -1 0 318.337 -0.012 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cnc(C3CC3)nc2N)CC1=O ZINC001606200330 1018725181 /nfs/dbraw/zinc/72/51/81/1018725181.db2.gz RAYQYFAJWDJDLK-VIFPVBQESA-N -1 0 319.321 -0.696 20 0 DBADRM Cn1cnc2cc(C(=O)N3CC(=O)N(C)C[C@@H]3C(=O)[O-])ccc21 ZINC001606198924 1018725913 /nfs/dbraw/zinc/72/59/13/1018725913.db2.gz BNNOQJXLSRLTSR-GFCCVEGCSA-N -1 0 316.317 -0.059 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)Cc2c[nH]c3ncccc23)CC1=O ZINC001606199261 1018725933 /nfs/dbraw/zinc/72/59/33/1018725933.db2.gz COWBLYCFPCNTPF-NSHDSACASA-N -1 0 316.317 -0.141 20 0 DBADRM Cn1nc2ccccc2c1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001606198908 1018726278 /nfs/dbraw/zinc/72/62/78/1018726278.db2.gz BAMCFHFWICNIIE-NSHDSACASA-N -1 0 316.317 -0.059 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccn3nccc3n2)CC1=O ZINC001606200328 1018726337 /nfs/dbraw/zinc/72/63/37/1018726337.db2.gz QVBOLFHKRIMYPG-VIFPVBQESA-N -1 0 303.278 -0.903 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc([S@](C)=O)cc2)CC1=O ZINC001606198938 1018726459 /nfs/dbraw/zinc/72/64/59/1018726459.db2.gz BQZXDMWJWYCRGR-SAHAZLINSA-N -1 0 324.358 -0.209 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)NCCN2CCNC2=S)CO1 ZINC001606111671 1018726335 /nfs/dbraw/zinc/72/63/35/1018726335.db2.gz MIPCBRHQTXTIFY-ZJUUUORDSA-N -1 0 315.395 -0.437 20 0 DBADRM CN(CCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)c1nc[nH]n1 ZINC001606120542 1018726420 /nfs/dbraw/zinc/72/64/20/1018726420.db2.gz DBNDTQBZGQWKEP-DTWKUNHWSA-N -1 0 309.326 -0.554 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)Cc2c[nH]c3cnccc23)CC1=O ZINC001606200554 1018726870 /nfs/dbraw/zinc/72/68/70/1018726870.db2.gz WUQPIUDBMZOWSQ-LBPRGKRZSA-N -1 0 316.317 -0.141 20 0 DBADRM CN1C[C@H](C(=O)N[C@](C)(CO)C(=O)[O-])c2ccccc2C1=O ZINC001606197995 1018727078 /nfs/dbraw/zinc/72/70/78/1018727078.db2.gz PUHTZGFSTIAJSD-XHDPSFHLSA-N -1 0 306.318 -0.192 20 0 DBADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)NCc2nnnn2C2CC2)CO1 ZINC001606111400 1018727371 /nfs/dbraw/zinc/72/73/71/1018727371.db2.gz GVDWNGGBLZKXHV-SCZZXKLOSA-N -1 0 309.326 -0.106 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(C(=O)/C=C\c2cncc(F)c2)CC1=O ZINC001606197853 1018727409 /nfs/dbraw/zinc/72/74/09/1018727409.db2.gz MUOOKEXGCLVSIT-OTDNITJGSA-N -1 0 307.281 -0.012 20 0 DBADRM CN1C[C@@H](C(=O)[O-])N(C(=O)[C@@H]2COc3ccccc32)CC1=O ZINC001606198566 1018727694 /nfs/dbraw/zinc/72/76/94/1018727694.db2.gz WSNJJAXCMRDKEY-MNOVXSKESA-N -1 0 304.302 -0.084 20 0 DBADRM Cc1nn(C[C@@H](O)COC(C)C)c(=O)c(-c2nnn[n-]2)c1C ZINC001606114201 1018728085 /nfs/dbraw/zinc/72/80/85/1018728085.db2.gz HJCCNDGZEWXDSE-SNVBAGLBSA-N -1 0 308.342 -0.174 20 0 DBADRM CN(C[C@H]1COCCO1)C(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001606117234 1018728591 /nfs/dbraw/zinc/72/85/91/1018728591.db2.gz PFOKRIAYLJOQML-MNOVXSKESA-N -1 0 314.338 -0.674 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1nc[nH]n1 ZINC001606120544 1018728782 /nfs/dbraw/zinc/72/87/82/1018728782.db2.gz DBNDTQBZGQWKEP-RKDXNWHRSA-N -1 0 309.326 -0.554 20 0 DBADRM CN1C[C@H](NC(=O)N2CCSC[C@@H](C(=O)[O-])C2)CC1=O ZINC001606201935 1018729040 /nfs/dbraw/zinc/72/90/40/1018729040.db2.gz CWKQLAWYHNPNPA-DTWKUNHWSA-N -1 0 301.368 -0.324 20 0 DBADRM Cc1nnc([C@@H](C)NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)[nH]1 ZINC001606118110 1018729308 /nfs/dbraw/zinc/72/93/08/1018729308.db2.gz ACBMYZLAZKXILD-RITPCOANSA-N -1 0 317.317 -0.677 20 0 DBADRM CN1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cccs2)CC1=O ZINC001606201367 1018729245 /nfs/dbraw/zinc/72/92/45/1018729245.db2.gz AQAADIUGYHTNEQ-SSDOTTSWSA-N -1 0 304.349 -0.336 20 0 DBADRM CN(CCN(C)c1ncc(C(=O)[O-])cn1)C(=O)[C@H]1CCNC1=O ZINC001606126556 1018729817 /nfs/dbraw/zinc/72/98/17/1018729817.db2.gz HXKQSXLIXONYNP-JTQLQIEISA-N -1 0 321.337 -0.795 20 0 DBADRM CN1C[C@@H](NS(=O)(=O)c2cccnc2C(=O)[O-])CCC1=O ZINC001606202123 1018730962 /nfs/dbraw/zinc/73/09/62/1018730962.db2.gz DQORXGJWZDBISF-QMMMGPOBSA-N -1 0 313.335 -0.321 20 0 DBADRM CN(CCN1CCCS1(=O)=O)c1cnc(C(=O)[O-])cn1 ZINC001606127579 1018731334 /nfs/dbraw/zinc/73/13/34/1018731334.db2.gz VIDIFVKNZRMNNS-UHFFFAOYSA-N -1 0 300.340 -0.354 20 0 DBADRM CN([C@@H]1CCC(=O)N(C)C1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001606204002 1018731581 /nfs/dbraw/zinc/73/15/81/1018731581.db2.gz ZVJQOPQQRNDIOH-MRVPVSSYSA-N -1 0 315.351 -0.046 20 0 DBADRM CN(CCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)c1cn(C)nn1 ZINC001606121633 1018732514 /nfs/dbraw/zinc/73/25/14/1018732514.db2.gz ZTTUYCJBWQQZMH-NXEZZACHSA-N -1 0 323.353 -0.544 20 0 DBADRM Cn1c(=O)[nH]c(NC[C@@H]2CCCCO2)c(-c2nnn[n-]2)c1=O ZINC001606206072 1018733535 /nfs/dbraw/zinc/73/35/35/1018733535.db2.gz PZHGRQRZWCNSPS-ZETCQYMHSA-N -1 0 307.314 -0.353 20 0 DBADRM Cn1c(=O)[nH]c(NC2COC(C)(C)OC2)c(-c2nnn[n-]2)c1=O ZINC001606205421 1018733799 /nfs/dbraw/zinc/73/37/99/1018733799.db2.gz DGQBBQQCMKCXHI-UHFFFAOYSA-N -1 0 323.313 -0.771 20 0 DBADRM Cn1c(=O)[nH]c(NCc2ccc[nH]c2=O)c(-c2nnn[n-]2)c1=O ZINC001606205689 1018733988 /nfs/dbraw/zinc/73/39/88/1018733988.db2.gz IBIPKMRGEBGHLN-UHFFFAOYSA-N -1 0 316.281 -0.621 20 0 DBADRM CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)C[C@H]1CCOC1 ZINC001606133674 1018734134 /nfs/dbraw/zinc/73/41/34/1018734134.db2.gz YRZKWAWXMUWQOK-SNVBAGLBSA-N -1 0 308.338 -0.106 20 0 DBADRM CN(CCNC(=O)[C@H]1CCC(=O)NC1)c1ccnc(C(=O)[O-])n1 ZINC001606131233 1018735160 /nfs/dbraw/zinc/73/51/60/1018735160.db2.gz RZQAHZFDBFPHMY-VIFPVBQESA-N -1 0 321.337 -0.747 20 0 DBADRM CN(CCNC(=O)c1cnc[nH]c1=O)c1ccnc(C(=O)[O-])n1 ZINC001606130801 1018735185 /nfs/dbraw/zinc/73/51/85/1018735185.db2.gz UCBGFISOBXWPIW-UHFFFAOYSA-N -1 0 318.293 -0.463 20 0 DBADRM CN(CCN1CCOCC1)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001606130966 1018735553 /nfs/dbraw/zinc/73/55/53/1018735553.db2.gz HEGFEPSXCFCOBY-UHFFFAOYSA-N -1 0 311.342 -0.086 20 0 DBADRM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)C[C@@H]1CCC(=O)N1 ZINC001606132984 1018738720 /nfs/dbraw/zinc/73/87/20/1018738720.db2.gz KPMOFLZSJSNOHT-JTQLQIEISA-N -1 0 321.337 -0.286 20 0 DBADRM CN1CC[C@](C)(C(=O)N2CCc3[nH]nc(C(=O)[O-])c3C2)C1=O ZINC001606213770 1018739401 /nfs/dbraw/zinc/73/94/01/1018739401.db2.gz MBDSOUPHWMBAOF-AWEZNQCLSA-N -1 0 306.322 -0.139 20 0 DBADRM CN1CC[C@H](NC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001606216078 1018739946 /nfs/dbraw/zinc/73/99/46/1018739946.db2.gz OLEYNJXQYANDNF-BDAKNGLRSA-N -1 0 322.325 -0.837 20 0 DBADRM CN(CCNC(=O)[C@@H]1CCN(C)C1=O)c1ccnc(C(=O)[O-])n1 ZINC001606211783 1018740343 /nfs/dbraw/zinc/74/03/43/1018740343.db2.gz AUKVJMSVJDGMCW-VIFPVBQESA-N -1 0 321.337 -0.795 20 0 DBADRM CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001606142553 1018741526 /nfs/dbraw/zinc/74/15/26/1018741526.db2.gz BHOKGKVELDCPDR-AOOOYVTPSA-N -1 0 300.355 -0.167 20 0 DBADRM O=C([O-])CCCCNC(=O)N(CCO)CCN1CCOCC1 ZINC001606164421 1018741544 /nfs/dbraw/zinc/74/15/44/1018741544.db2.gz JJOCRFQMEMOGTG-UHFFFAOYSA-N -1 0 317.386 -0.423 20 0 DBADRM O=C([O-])CN(C(=O)CCN1C(=O)CCNC1=S)C1CCC1 ZINC001606215863 1018741893 /nfs/dbraw/zinc/74/18/93/1018741893.db2.gz CEDPHYXCXZRXQJ-UHFFFAOYSA-N -1 0 313.379 -0.051 20 0 DBADRM CN(Cc1c[nH]cn1)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001606145966 1018742738 /nfs/dbraw/zinc/74/27/38/1018742738.db2.gz QIEMKNZOUHDZKG-NWDGAFQWSA-N -1 0 320.349 -0.063 20 0 DBADRM CN(CCS(C)(=O)=O)CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606138919 1018743667 /nfs/dbraw/zinc/74/36/67/1018743667.db2.gz NYNKWDXWENKIGP-UHFFFAOYSA-N -1 0 315.351 -0.305 20 0 DBADRM CN(CCc1cnccn1)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606141458 1018744496 /nfs/dbraw/zinc/74/44/96/1018744496.db2.gz VTLWXWWVOATOSH-LBPRGKRZSA-N -1 0 320.349 -0.199 20 0 DBADRM Cc1occc(=O)c1OCC(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001606176092 1018744782 /nfs/dbraw/zinc/74/47/82/1018744782.db2.gz UARXHUVDVTXBFU-UHFFFAOYSA-N -1 0 317.265 -0.131 20 0 DBADRM CN(Cc1ccoc1)C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001606173086 1018745162 /nfs/dbraw/zinc/74/51/62/1018745162.db2.gz HJXNOTDWDJUFKP-NSHDSACASA-N -1 0 310.306 -0.060 20 0 DBADRM CN(Cc1cnn(C)n1)C1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001606174464 1018745322 /nfs/dbraw/zinc/74/53/22/1018745322.db2.gz QBIJTZCJFBOVRP-STQMWFEESA-N -1 0 321.381 -0.041 20 0 DBADRM CN1CC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001606218435 1018745869 /nfs/dbraw/zinc/74/58/69/1018745869.db2.gz FLLMOLZLKSNRNW-RYUDHWBXSA-N -1 0 311.382 -0.090 20 0 DBADRM CN(Cc1ccn(C)n1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001606173290 1018746046 /nfs/dbraw/zinc/74/60/46/1018746046.db2.gz KYMZDCFUHFPALA-UHFFFAOYSA-N -1 0 316.383 -0.107 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2C[C@H]3C=C[C@@H]2C3)c1=O ZINC001606222011 1018746648 /nfs/dbraw/zinc/74/66/48/1018746648.db2.gz WMTNQNXORBISMH-AEJSXWLSSA-N -1 0 300.322 -0.061 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCCC23CCC3)n(C)c1=O ZINC001606217343 1018749281 /nfs/dbraw/zinc/74/92/81/1018749281.db2.gz IHHZVRXDAPGZPD-UHFFFAOYSA-N -1 0 317.353 -0.213 20 0 DBADRM CN1CCC[C@H](NS(=O)(=O)CC2(C(=O)[O-])CCC2)C1=O ZINC001606225728 1018752504 /nfs/dbraw/zinc/75/25/04/1018752504.db2.gz AHANWAJMBVNQOU-VIFPVBQESA-N -1 0 304.368 -0.219 20 0 DBADRM CN1CCN(C(=O)CC[N@H+](CCC(=O)[O-])CC(=O)[O-])CC1 ZINC001606228263 1018752971 /nfs/dbraw/zinc/75/29/71/1018752971.db2.gz DNBSGZPXCUNJKB-UHFFFAOYSA-N -1 0 301.343 -0.988 20 0 DBADRM CN1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@@H](C(=O)[O-])C1 ZINC001606228428 1018753891 /nfs/dbraw/zinc/75/38/91/1018753891.db2.gz IIOKCBNZSAGVGU-QWRGUYRKSA-N -1 0 318.395 -0.572 20 0 DBADRM CN1CCC[C@@H](C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1=O ZINC001606223180 1018755302 /nfs/dbraw/zinc/75/53/02/1018755302.db2.gz NKOZFKYPXTXALA-FIXISWKDSA-N -1 0 310.350 -0.196 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCN(Cc3ccccn3)CC2)C1=O ZINC001606232385 1018756333 /nfs/dbraw/zinc/75/63/33/1018756333.db2.gz TVYBIDZTFIXKPX-AWEZNQCLSA-N -1 0 318.377 -0.115 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CC[C@](CO)(C(F)(F)F)C2)C1=O ZINC001606231149 1018756413 /nfs/dbraw/zinc/75/64/13/1018756413.db2.gz DYWGSKMASDLLKO-KWQFWETISA-N -1 0 310.272 -0.081 20 0 DBADRM CN1CCN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1(C)C ZINC001606230224 1018756708 /nfs/dbraw/zinc/75/67/08/1018756708.db2.gz XKSZGANJQFKEGV-LLVKDONJSA-N -1 0 309.366 -0.171 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCC(N3CCCNC3=O)CC2)C1=O ZINC001606232422 1018756850 /nfs/dbraw/zinc/75/68/50/1018756850.db2.gz VDNIPKNNZDLDOL-LBPRGKRZSA-N -1 0 324.381 -0.448 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCN(Cc3ccccn3)CC2)C1=O ZINC001606232386 1018757615 /nfs/dbraw/zinc/75/76/15/1018757615.db2.gz TVYBIDZTFIXKPX-CQSZACIVSA-N -1 0 318.377 -0.115 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CC[C@@H](Nc3ncccn3)C2)C1=O ZINC001606231494 1018757956 /nfs/dbraw/zinc/75/79/56/1018757956.db2.gz JSQMPRHBRCZTLR-GHMZBOCLSA-N -1 0 305.338 -0.352 20 0 DBADRM O=C([O-])CN1CC[C@@H](N2CCN(c3ccccn3)CC2)C1=O ZINC001606231342 1018760743 /nfs/dbraw/zinc/76/07/43/1018760743.db2.gz IEFLXPHDZOJMQH-GFCCVEGCSA-N -1 0 304.350 -0.111 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCC(NC(=O)C3CC3)CC2)C1=O ZINC001606232727 1018763044 /nfs/dbraw/zinc/76/30/44/1018763044.db2.gz XWAVYGFAUGECSS-LBPRGKRZSA-N -1 0 309.366 -0.338 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)C1=O ZINC001606232715 1018763404 /nfs/dbraw/zinc/76/34/04/1018763404.db2.gz XQMGMQIPFUUHJD-GARJFASQSA-N -1 0 316.379 -0.677 20 0 DBADRM CN1CCN(C(=O)CNC(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC001606233418 1018764097 /nfs/dbraw/zinc/76/40/97/1018764097.db2.gz PFNZCTBRXWHCKA-UHFFFAOYSA-N -1 0 306.322 -0.716 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001606233247 1018765002 /nfs/dbraw/zinc/76/50/02/1018765002.db2.gz IOARLIKBYFIYFI-PHIMTYICSA-N -1 0 312.370 -0.687 20 0 DBADRM CN1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C[C@@H]1CO ZINC001606233632 1018765181 /nfs/dbraw/zinc/76/51/81/1018765181.db2.gz WOUBPTBGMGDAIT-QJPTWQEYSA-N -1 0 300.355 -0.609 20 0 DBADRM CN1CCN(C(=O)CCNC(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001606233510 1018765605 /nfs/dbraw/zinc/76/56/05/1018765605.db2.gz SLLMTGYFIIOYGN-UHFFFAOYSA-N -1 0 309.322 -0.128 20 0 DBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001606233308 1018766294 /nfs/dbraw/zinc/76/62/94/1018766294.db2.gz KRXAHLZVMZSMGF-UHFFFAOYSA-N -1 0 309.366 -0.526 20 0 DBADRM O=C([O-])CN1CC[C@H](N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)C1=O ZINC001606232717 1018766640 /nfs/dbraw/zinc/76/66/40/1018766640.db2.gz XQMGMQIPFUUHJD-OUAUKWLOSA-N -1 0 316.379 -0.677 20 0 DBADRM CN1CCN(CC(=O)NC(C)(C)c2cc(C(=O)[O-])on2)CC1 ZINC001606239205 1018770370 /nfs/dbraw/zinc/77/03/70/1018770370.db2.gz KSBGMXCSIPFLHQ-UHFFFAOYSA-N -1 0 310.354 -0.029 20 0 DBADRM CN(C(=O)CN1CCN(C)C[C@@H]1CO)c1ccccc1C(=O)[O-] ZINC001606239321 1018770919 /nfs/dbraw/zinc/77/09/19/1018770919.db2.gz NINFCRXIJBXOQC-GFCCVEGCSA-N -1 0 321.377 -0.044 20 0 DBADRM CN1CCO[C@@H](C(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)C1=O ZINC001606249185 1018775934 /nfs/dbraw/zinc/77/59/34/1018775934.db2.gz HGNRMSFVCAHXKU-SWLSCSKDSA-N -1 0 321.333 -0.255 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)c2cn3c(n2)COCC3)C1=O ZINC001606247488 1018776517 /nfs/dbraw/zinc/77/65/17/1018776517.db2.gz HXTFHOYWZDBEMR-SECBINFHSA-N -1 0 309.278 -0.744 20 0 DBADRM CN1CCO[C@H](C(=O)N(CCC(=O)[O-])Cc2ccncc2)C1=O ZINC001606247658 1018777118 /nfs/dbraw/zinc/77/71/18/1018777118.db2.gz QTDQJJNHPFOIJN-ZDUSSCGKSA-N -1 0 321.333 -0.258 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)N2CC[C@@]3(CNC(=O)C3)C2)C1=O ZINC001606248629 1018777259 /nfs/dbraw/zinc/77/72/59/1018777259.db2.gz ARLZQWUJNXVELO-MEBBXXQBSA-N -1 0 323.349 -0.952 20 0 DBADRM O=C([O-])CN1CC[C@@H](OC(=O)COc2ccc(CO)cc2)C1=O ZINC001606247076 1018777571 /nfs/dbraw/zinc/77/75/71/1018777571.db2.gz DLJTWSLOXYLQRT-GFCCVEGCSA-N -1 0 323.301 -0.214 20 0 DBADRM CN1CCOC[C@H]1CNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001606251636 1018778739 /nfs/dbraw/zinc/77/87/39/1018778739.db2.gz YJLBSYJEQKCSFX-SNVBAGLBSA-N -1 0 306.384 -0.509 20 0 DBADRM CN1CCOC[C@@H]1CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001606250212 1018778865 /nfs/dbraw/zinc/77/88/65/1018778865.db2.gz OEBPMWWQVBFQPN-VIFPVBQESA-N -1 0 315.351 -0.611 20 0 DBADRM CN1CCO[C@@H](CS(=O)(=O)N2CCC[C@@](C)(C(=O)[O-])C2)C1 ZINC001606251162 1018779332 /nfs/dbraw/zinc/77/93/32/1018779332.db2.gz UGIMFQBUROVUBH-DGCLKSJQSA-N -1 0 320.411 -0.167 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)NC2(C(=O)[O-])CCCC2)C1 ZINC001606250241 1018781269 /nfs/dbraw/zinc/78/12/69/1018781269.db2.gz OOMDIUKELNUJHT-JTQLQIEISA-N -1 0 306.384 -0.366 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001606255243 1018782778 /nfs/dbraw/zinc/78/27/78/1018782778.db2.gz IQHWKXHETNDMKB-KLBPJQLPSA-N -1 0 311.338 -0.604 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)N[C@H]2CCC[C@@H]2O)C1=O ZINC001606255857 1018782948 /nfs/dbraw/zinc/78/29/48/1018782948.db2.gz SPRUOIJQHDERRR-AXFHLTTASA-N -1 0 313.354 -0.335 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NCc2ccncn2)C1=O ZINC001606255135 1018783784 /nfs/dbraw/zinc/78/37/84/1018783784.db2.gz FYYANMRBKHIKMR-LLVKDONJSA-N -1 0 321.337 -0.259 20 0 DBADRM O=C([O-])CN1CCC[C@H](C(=O)Nc2ccn3nccc3n2)C1=O ZINC001606253874 1018784158 /nfs/dbraw/zinc/78/41/58/1018784158.db2.gz YQXKVDOXAZBMDV-SECBINFHSA-N -1 0 317.305 -0.009 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)N2CCC[C@@H]2CO)C1=O ZINC001606258532 1018784634 /nfs/dbraw/zinc/78/46/34/1018784634.db2.gz WLVCZWKJFDRTPB-MNOVXSKESA-N -1 0 313.354 -0.382 20 0 DBADRM CNC(=O)[C@@H](O)CNS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001606261891 1018785233 /nfs/dbraw/zinc/78/52/33/1018785233.db2.gz ZJFKXKBJRMGQEV-QMMMGPOBSA-N -1 0 316.335 -0.922 20 0 DBADRM CN1NN=C2C1=NCC[C@H]2C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001606259783 1018786656 /nfs/dbraw/zinc/78/66/56/1018786656.db2.gz SIZIUQMXQGDFTC-BBBLOLIVSA-N -1 0 307.354 -0.030 20 0 DBADRM O=C([O-])CNC(=O)CN1CCCC[C@H]1COC(=O)NC1CC1 ZINC001606264471 1018786991 /nfs/dbraw/zinc/78/69/91/1018786991.db2.gz NFUPOENQFKLVJI-NSHDSACASA-N -1 0 313.354 -0.070 20 0 DBADRM CNC(=O)[C@H](O)CNS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001606261148 1018787230 /nfs/dbraw/zinc/78/72/30/1018787230.db2.gz DGFWJYZDJVWUHY-SECBINFHSA-N -1 0 322.383 -0.952 20 0 DBADRM CNC(=O)[C@H]1CCC[C@H]1NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001606262712 1018787307 /nfs/dbraw/zinc/78/73/07/1018787307.db2.gz BONYHZRXARUIAG-GXSJLCMTSA-N -1 0 321.333 -0.423 20 0 DBADRM CNC(=O)[C@H](CO)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001606261184 1018787592 /nfs/dbraw/zinc/78/75/92/1018787592.db2.gz GFHQYQCYOCZSFH-VIFPVBQESA-N -1 0 322.383 -0.952 20 0 DBADRM CN1N=C(C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])CCC1=O ZINC001606259269 1018787764 /nfs/dbraw/zinc/78/77/64/1018787764.db2.gz NNDIRNWVSGUQCJ-VIFPVBQESA-N -1 0 310.335 -0.137 20 0 DBADRM CNC(=O)[C@H]1CCCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001606261716 1018788401 /nfs/dbraw/zinc/78/84/01/1018788401.db2.gz DJKYDCVLSRIQHZ-JTQLQIEISA-N -1 0 321.333 -0.469 20 0 DBADRM CNC(=O)C1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001606266217 1018789112 /nfs/dbraw/zinc/78/91/12/1018789112.db2.gz MKULDDQLUCNLDY-UHFFFAOYSA-N -1 0 306.384 -0.115 20 0 DBADRM CNC(=O)CCN(C)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001606267094 1018789331 /nfs/dbraw/zinc/78/93/31/1018789331.db2.gz NVTOAOKDZNFBGT-UHFFFAOYSA-N -1 0 307.353 -0.402 20 0 DBADRM O=C([O-])CNC(=O)CN1c2cc(F)ccc2CS1(=O)=O ZINC001606265241 1018789531 /nfs/dbraw/zinc/78/95/31/1018789531.db2.gz PWUWDZLGYPMDMO-UHFFFAOYSA-N -1 0 302.283 -0.324 20 0 DBADRM CNC(=O)[C@@H]1CN(CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CCO1 ZINC001606266173 1018789764 /nfs/dbraw/zinc/78/97/64/1018789764.db2.gz KGCKLLAXSQCGMI-NSHDSACASA-N -1 0 323.349 -0.041 20 0 DBADRM CNC(=O)CC[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001606267993 1018789892 /nfs/dbraw/zinc/78/98/92/1018789892.db2.gz TWMHOEUYMHPEBW-JTQLQIEISA-N -1 0 323.353 -0.116 20 0 DBADRM CNC(=O)CCN(C)C(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001606267003 1018790167 /nfs/dbraw/zinc/79/01/67/1018790167.db2.gz JXEKKXQFYRPVHV-UHFFFAOYSA-N -1 0 313.335 -0.021 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001606267004 1018790188 /nfs/dbraw/zinc/79/01/88/1018790188.db2.gz JXRXEGIYVCCRCM-UHFFFAOYSA-N -1 0 313.335 -0.054 20 0 DBADRM CNC(=O)C[C@@H](C)NS(=O)(=O)c1csnc1C(=O)[O-] ZINC001606267388 1018792019 /nfs/dbraw/zinc/79/20/19/1018792019.db2.gz DALMYTDUEHGPLX-RXMQYKEDSA-N -1 0 307.353 -0.356 20 0 DBADRM CNC(=O)CCNC(=O)C(=O)Nc1cc(C)sc1C(=O)[O-] ZINC001606267265 1018792073 /nfs/dbraw/zinc/79/20/73/1018792073.db2.gz VUXBEPNTMJEIIO-UHFFFAOYSA-N -1 0 313.335 -0.054 20 0 DBADRM CNC(=O)[C@H]1CN(C(=O)c2ccsc2CC(=O)[O-])CCO1 ZINC001606265857 1018792493 /nfs/dbraw/zinc/79/24/93/1018792493.db2.gz DSHHXBHTIBWCED-SECBINFHSA-N -1 0 312.347 -0.038 20 0 DBADRM CNC(=O)CN1CCC(NC(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001606270280 1018793364 /nfs/dbraw/zinc/79/33/64/1018793364.db2.gz BNYLFYYEVOQHQK-LBPRGKRZSA-N -1 0 324.381 -0.331 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC2(F)F)c1[O-] ZINC001501489474 1018793989 /nfs/dbraw/zinc/79/39/89/1018793989.db2.gz OGHPYLCKJGCFFB-BQBZGAKWSA-N -1 0 318.280 -0.714 20 0 DBADRM O=C([O-])COCC(=O)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC001606274089 1018794486 /nfs/dbraw/zinc/79/44/86/1018794486.db2.gz YKRTXUGQFBTINF-SECBINFHSA-N -1 0 302.352 -0.485 20 0 DBADRM O=C([O-])COCC(=O)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC001606273325 1018795217 /nfs/dbraw/zinc/79/52/17/1018795217.db2.gz BDMGIZCMMASNAF-GXFFZTMASA-N -1 0 301.339 -0.086 20 0 DBADRM O=C([O-])COCC(=O)Nc1cnc(N2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC001606274471 1018795263 /nfs/dbraw/zinc/79/52/63/1018795263.db2.gz KGZAASWVVDGSCR-PHIMTYICSA-N -1 0 322.321 -0.116 20 0 DBADRM O=C([O-])COCC(=O)N1CC2(CCOCC2)CC[C@H]1CO ZINC001606274079 1018795534 /nfs/dbraw/zinc/79/55/34/1018795534.db2.gz XBXVOTFAFRSCOW-NSHDSACASA-N -1 0 301.339 -0.132 20 0 DBADRM CNC(=O)CNC(=O)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001606273037 1018795653 /nfs/dbraw/zinc/79/56/53/1018795653.db2.gz IVWCNUSWKZJNSD-SECBINFHSA-N -1 0 321.333 -0.250 20 0 DBADRM CNC(=O)CN1CCCN(C(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001606270278 1018797331 /nfs/dbraw/zinc/79/73/31/1018797331.db2.gz BJYYPOCAGMUALQ-UHFFFAOYSA-N -1 0 309.322 -0.128 20 0 DBADRM CNC(=O)Cc1noc(CN(C)[C@@H](COC(C)C)C(=O)[O-])n1 ZINC001606277745 1018799959 /nfs/dbraw/zinc/79/99/59/1018799959.db2.gz QGPVQDRUTBFEPO-VIFPVBQESA-N -1 0 314.342 -0.332 20 0 DBADRM Cn1ncc(Cl)c1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001606276638 1018800211 /nfs/dbraw/zinc/80/02/11/1018800211.db2.gz XACWCOVBNJDCHI-UHFFFAOYSA-N -1 0 322.720 -0.725 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)N[C@H]1CCc2ccccc2C1 ZINC001606279250 1018800641 /nfs/dbraw/zinc/80/06/41/1018800641.db2.gz DTYMHMRSSQQPDN-ZDUSSCGKSA-N -1 0 320.345 -0.123 20 0 DBADRM CNC(=O)Cn1cc(NC(=O)Cn2cc(C(=O)[O-])cn2)cn1 ZINC001606277228 1018800864 /nfs/dbraw/zinc/80/08/64/1018800864.db2.gz FRBDNYBFZHSLMY-UHFFFAOYSA-N -1 0 306.282 -0.838 20 0 DBADRM CNC(=O)NC[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001606282317 1018801706 /nfs/dbraw/zinc/80/17/06/1018801706.db2.gz XJJJFVCBYSIHOW-VIFPVBQESA-N -1 0 324.341 -0.714 20 0 DBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001606281423 1018801812 /nfs/dbraw/zinc/80/18/12/1018801812.db2.gz QHJNCEPZJJRAQY-OPRDCNLKSA-N -1 0 314.342 -0.954 20 0 DBADRM CNC(=O)NCC(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@H](OC)C1 ZINC001606282373 1018801844 /nfs/dbraw/zinc/80/18/44/1018801844.db2.gz YIGIMFWQVMRNOZ-QXEWZRGKSA-N -1 0 301.343 -0.310 20 0 DBADRM CNC(=O)NCC(=O)NCC1(Nc2ncc(C(=O)[O-])cn2)CC1 ZINC001606280644 1018801899 /nfs/dbraw/zinc/80/18/99/1018801899.db2.gz IZEZCXTXGHQCKW-UHFFFAOYSA-N -1 0 322.325 -0.836 20 0 DBADRM CNC(=O)NCCNS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001606280334 1018802255 /nfs/dbraw/zinc/80/22/55/1018802255.db2.gz BZFQQUFICJXTGC-UHFFFAOYSA-N -1 0 305.312 -0.506 20 0 DBADRM CNC(=O)N[C@H]1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001606280912 1018802411 /nfs/dbraw/zinc/80/24/11/1018802411.db2.gz LGGJHTASFXXHEV-UTLUCORTSA-N -1 0 319.383 -0.427 20 0 DBADRM O=C([O-])COCCOCCNC(=O)Nc1cnc2ccnn2c1 ZINC001606284461 1018803064 /nfs/dbraw/zinc/80/30/64/1018803064.db2.gz DLBBZXRTHKOOTM-UHFFFAOYSA-N -1 0 323.309 -0.031 20 0 DBADRM CNC(=O)c1cc(N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)ccn1 ZINC001606283766 1018803273 /nfs/dbraw/zinc/80/32/73/1018803273.db2.gz LIZCFTMHMNNSFU-VHSXEESVSA-N -1 0 307.306 -0.249 20 0 DBADRM O=C([O-])COCCOCCNC(=O)c1noc2c1COCC2 ZINC001606285977 1018803702 /nfs/dbraw/zinc/80/37/02/1018803702.db2.gz NVHMWWGMGIZSFD-UHFFFAOYSA-N -1 0 314.294 -0.405 20 0 DBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccnc(C(=O)[O-])c1 ZINC001606283890 1018803432 /nfs/dbraw/zinc/80/34/32/1018803432.db2.gz MYLOCOMQNILNKP-JTQLQIEISA-N -1 0 317.305 -0.410 20 0 DBADRM CNC(=O)c1cccc(C(=O)NC2(C(=O)[O-])CC(CO)C2)n1 ZINC001606287766 1018803459 /nfs/dbraw/zinc/80/34/59/1018803459.db2.gz JOQNRISKJJQOBU-UHFFFAOYSA-N -1 0 307.306 -0.603 20 0 DBADRM CNC(=O)c1cccc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)n1 ZINC001606287948 1018803659 /nfs/dbraw/zinc/80/36/59/1018803659.db2.gz NFOBHUXOUDDPON-CQSZACIVSA-N -1 0 307.306 -0.195 20 0 DBADRM CNC(=O)c1cc(N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)ccn1 ZINC001606283765 1018803742 /nfs/dbraw/zinc/80/37/42/1018803742.db2.gz LIZCFTMHMNNSFU-UWVGGRQHSA-N -1 0 307.306 -0.249 20 0 DBADRM O=C([O-])COCCOCCNC(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC001606284849 1018804228 /nfs/dbraw/zinc/80/42/28/1018804228.db2.gz OPKKLWMOHUDNKT-VXGBXAGGSA-N -1 0 316.354 -0.029 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001606292372 1018804788 /nfs/dbraw/zinc/80/47/88/1018804788.db2.gz ITMXRRLIEBBPCU-CPFSXVBKSA-N -1 0 322.325 -0.117 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CC[C@@H](CN2CCOC2=O)C1 ZINC001606291609 1018804975 /nfs/dbraw/zinc/80/49/75/1018804975.db2.gz SZQFEVWNEJQDDL-SNVBAGLBSA-N -1 0 320.367 -0.740 20 0 DBADRM CNC(=O)c1ccc(NC(=O)Cn2cc(C(=O)[O-])cn2)nc1 ZINC001606290310 1018805332 /nfs/dbraw/zinc/80/53/32/1018805332.db2.gz ULUWCXVGYVOZJW-UHFFFAOYSA-N -1 0 303.278 -0.025 20 0 DBADRM O=C([O-])CS(=O)(=O)CCN1CCOC2(CCOCC2)C1 ZINC001606296454 1018805654 /nfs/dbraw/zinc/80/56/54/1018805654.db2.gz GGGQTEINWGSBSL-UHFFFAOYSA-N -1 0 307.368 -0.633 20 0 DBADRM CNC(=O)c1ccc(NC(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001606289812 1018805744 /nfs/dbraw/zinc/80/57/44/1018805744.db2.gz MFIMSGMVQYUOMS-UHFFFAOYSA-N -1 0 308.294 -0.632 20 0 DBADRM CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001606302007 1018806328 /nfs/dbraw/zinc/80/63/28/1018806328.db2.gz YIMDMOLLXLFISR-UHFFFAOYSA-N -1 0 322.364 -0.788 20 0 DBADRM CNS(=O)(=O)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001606302637 1018806476 /nfs/dbraw/zinc/80/64/76/1018806476.db2.gz LDCQAGGXBCWBDR-KXUCPTDWSA-N -1 0 304.368 -0.363 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(c2ncnc(C(=O)[O-])c2OC)C1 ZINC001606299161 1018806508 /nfs/dbraw/zinc/80/65/08/1018806508.db2.gz UZIYWEHDQUAGHO-SSDOTTSWSA-N -1 0 316.339 -0.689 20 0 DBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])co2)C1 ZINC001606298698 1018806911 /nfs/dbraw/zinc/80/69/11/1018806911.db2.gz CZHHIEAMJZFMNF-MRVPVSSYSA-N -1 0 302.308 -0.259 20 0 DBADRM CNS(=O)(=O)NCC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001606301359 1018806932 /nfs/dbraw/zinc/80/69/32/1018806932.db2.gz DOGANDUSRVDYBB-UHFFFAOYSA-N -1 0 315.351 -0.603 20 0 DBADRM CNS(=O)(=O)NCC(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001606301950 1018807268 /nfs/dbraw/zinc/80/72/68/1018807268.db2.gz WGIBIFKBHMXTFQ-VIFPVBQESA-N -1 0 307.372 -0.810 20 0 DBADRM CNS(=O)(=O)N1CCC(C(=O)N(C)[C@H](C)C(=O)[O-])CC1 ZINC001606301865 1018807336 /nfs/dbraw/zinc/80/73/36/1018807336.db2.gz RPUDZJDTAFJNHB-MRVPVSSYSA-N -1 0 307.372 -0.906 20 0 DBADRM CNc1cnc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)OC)cn1 ZINC001606313506 1018808266 /nfs/dbraw/zinc/80/82/66/1018808266.db2.gz RUKCIKBUDXZJFN-PSASIEDQSA-N -1 0 322.321 -0.003 20 0 DBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)/C=C\C(=O)[O-])o1 ZINC001606304754 1018808304 /nfs/dbraw/zinc/80/83/04/1018808304.db2.gz VKBONCQZPTVCQZ-YSCPKTQFSA-N -1 0 302.308 -0.053 20 0 DBADRM CNc1cnc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)cn1 ZINC001606313692 1018808888 /nfs/dbraw/zinc/80/88/88/1018808888.db2.gz WIVVSZUYTDDUKC-CYBMUJFWSA-N -1 0 305.294 -0.036 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001606321268 1018809434 /nfs/dbraw/zinc/80/94/34/1018809434.db2.gz FIEZVMNTVNWLGI-OIBJUYFYSA-N -1 0 311.381 -0.325 20 0 DBADRM COC(=O)C(C)(C)CS(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001606316223 1018809760 /nfs/dbraw/zinc/80/97/60/1018809760.db2.gz XVOJOCCWLQODIK-GFCCVEGCSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)[C@](C)(CO)NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001606319048 1018809769 /nfs/dbraw/zinc/80/97/69/1018809769.db2.gz VVTVSSUDAWMFCT-LBPRGKRZSA-N -1 0 317.319 -0.413 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](C)N1CCSCC1 ZINC001606324862 1018810711 /nfs/dbraw/zinc/81/07/11/1018810711.db2.gz YBZTZBCWBXXJKS-BDAKNGLRSA-N -1 0 304.368 -0.444 20 0 DBADRM O=C([O-])Cn1cc(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)nn1 ZINC001606326129 1018810870 /nfs/dbraw/zinc/81/08/70/1018810870.db2.gz LJGSIAGLNRAZKN-SNVBAGLBSA-N -1 0 321.337 -0.410 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccccc1N ZINC001606325278 1018811217 /nfs/dbraw/zinc/81/12/17/1018811217.db2.gz JMWVUBTWTZEGPL-MRVPVSSYSA-N -1 0 302.308 -0.437 20 0 DBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606329885 1018811729 /nfs/dbraw/zinc/81/17/29/1018811729.db2.gz GFILANKQVKCQDT-HRDYMLBCSA-N -1 0 301.295 -0.482 20 0 DBADRM COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)COCC(=O)[O-] ZINC001606331701 1018812345 /nfs/dbraw/zinc/81/23/45/1018812345.db2.gz NXKCSPJXIQZRTI-NXEZZACHSA-N -1 0 303.311 -0.438 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])N1CCC[C@@H](N2CCNC2=O)C1 ZINC001606334733 1018812535 /nfs/dbraw/zinc/81/25/35/1018812535.db2.gz ZNFMMOQLZMLQNM-GHMZBOCLSA-N -1 0 313.354 -0.118 20 0 DBADRM COC(=O)[C@@H](NCCC(=O)N(C)CC(=O)[O-])c1ccnn1C ZINC001606339780 1018812754 /nfs/dbraw/zinc/81/27/54/1018812754.db2.gz URGHAZGTJMTCQA-LBPRGKRZSA-N -1 0 312.326 -0.843 20 0 DBADRM COC(=O)[C@@H](NC(=O)Cn1cc(C(=O)[O-])cn1)c1ccnn1C ZINC001606333619 1018812918 /nfs/dbraw/zinc/81/29/18/1018812918.db2.gz UUHGYIDYIOZSHR-NSHDSACASA-N -1 0 321.293 -0.655 20 0 DBADRM COC(=O)[C@]1(C)CCN(C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC001606348170 1018814260 /nfs/dbraw/zinc/81/42/60/1018814260.db2.gz RZMSYXJOJLZSDY-CQSZACIVSA-N -1 0 314.338 -0.231 20 0 DBADRM COC(=O)C1(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CC1 ZINC001606349697 1018814664 /nfs/dbraw/zinc/81/46/64/1018814664.db2.gz OHGYFYYTEBLUMH-VIFPVBQESA-N -1 0 305.352 -0.487 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)NCc2nnnn2CC2CC2)n1 ZINC001606348648 1018815084 /nfs/dbraw/zinc/81/50/84/1018815084.db2.gz AXCHOZSOOLVGHE-UHFFFAOYSA-N -1 0 320.313 -0.314 20 0 DBADRM COC(=O)[C@@]1(NCC(=O)N[C@H](C(=O)[O-])C(C)C)CCOC1 ZINC001606354804 1018815506 /nfs/dbraw/zinc/81/55/06/1018815506.db2.gz VUXHFKPLWWJKNP-GXFFZTMASA-N -1 0 302.327 -0.867 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)N[C@@H](CO)[C@@H]2CCCOC2)c1=O ZINC001606355228 1018815592 /nfs/dbraw/zinc/81/55/92/1018815592.db2.gz MJXOPGCAVSDJEL-PWSUYJOCSA-N -1 0 324.333 -0.550 20 0 DBADRM COC(=O)[C@@]1(NS(=O)(=O)C[C@@H](C)C(=O)[O-])CCSC1 ZINC001606354591 1018815654 /nfs/dbraw/zinc/81/56/54/1018815654.db2.gz RKJBVLCOQLGMCY-GMSGAONNSA-N -1 0 311.381 -0.325 20 0 DBADRM O=C([O-])Cn1cccc(C(=O)NCCCn2ccnc2)c1=O ZINC001606355117 1018815752 /nfs/dbraw/zinc/81/57/52/1018815752.db2.gz GRTVCXWKACSTRG-UHFFFAOYSA-N -1 0 304.306 -0.051 20 0 DBADRM COC(=O)[C@]1(OC)CCN(Cn2nc(C(=O)[O-])ccc2=O)C1 ZINC001606356685 1018815974 /nfs/dbraw/zinc/81/59/74/1018815974.db2.gz HOENOLMMKIFLON-ZDUSSCGKSA-N -1 0 311.294 -0.837 20 0 DBADRM COC(=O)[C@@]1(NS(=O)(=O)CCCC(=O)[O-])CCSC1 ZINC001606353876 1018816228 /nfs/dbraw/zinc/81/62/28/1018816228.db2.gz GUAUXMDVUSAPKD-SNVBAGLBSA-N -1 0 311.381 -0.181 20 0 DBADRM COC(=O)C1(S(=O)(=O)N2CCSC[C@H]2C(=O)[O-])CCC1 ZINC001606356388 1018816289 /nfs/dbraw/zinc/81/62/89/1018816289.db2.gz DARLLTBPXRRYCU-QMMMGPOBSA-N -1 0 323.392 -0.086 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)[C@H]2CCCCS2(=O)=O)n1 ZINC001606354359 1018816362 /nfs/dbraw/zinc/81/63/62/1018816362.db2.gz XATHHJPFQYQOOP-SSDOTTSWSA-N -1 0 302.312 -0.732 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)Nc2cc(C(=O)[O-])n(C)n2)C1 ZINC001606357062 1018816478 /nfs/dbraw/zinc/81/64/78/1018816478.db2.gz NEZTWWCXTXOERC-LBPRGKRZSA-N -1 0 312.282 -0.740 20 0 DBADRM COC(=O)C1(NCC2(C(=O)[O-])CC2)CCS(=O)(=O)CC1 ZINC001606354178 1018816757 /nfs/dbraw/zinc/81/67/57/1018816757.db2.gz MBPHUDZEIUGHMM-UHFFFAOYSA-N -1 0 305.352 -0.439 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CCCS(N)(=O)=O ZINC001606375051 1018817537 /nfs/dbraw/zinc/81/75/37/1018817537.db2.gz RFOJALVWGDNAFD-BDAKNGLRSA-N -1 0 308.356 -0.997 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@@H](O)c1cccnc1 ZINC001606373367 1018817565 /nfs/dbraw/zinc/81/75/65/1018817565.db2.gz VWBXJGANUKYEAT-DLOVCJGASA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCCn1cncn1 ZINC001606371548 1018817870 /nfs/dbraw/zinc/81/78/70/1018817870.db2.gz TYAYARAAXDPNAP-GHMZBOCLSA-N -1 0 324.337 -0.077 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)C1COC1 ZINC001606375237 1018818029 /nfs/dbraw/zinc/81/80/29/1018818029.db2.gz LIPUFWDBFJOQGR-IONNQARKSA-N -1 0 307.324 -0.947 20 0 DBADRM COC(=O)[C@@H]1CC(=O)N(CN2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001606369724 1018818114 /nfs/dbraw/zinc/81/81/14/1018818114.db2.gz FMMNAQHAVGKBEU-NXEZZACHSA-N -1 0 300.311 -0.859 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCc1cn[nH]n1 ZINC001606371738 1018818215 /nfs/dbraw/zinc/81/82/15/1018818215.db2.gz UMLHQXJFCJBZJE-SCZZXKLOSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC001606375704 1018818794 /nfs/dbraw/zinc/81/87/94/1018818794.db2.gz DDEXSBXIRQEPKT-BDAKNGLRSA-N -1 0 309.340 -0.963 20 0 DBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1nnc2n1CCOC2 ZINC001606378058 1018818956 /nfs/dbraw/zinc/81/89/56/1018818956.db2.gz XAJPLNIDFPCLHT-ZJUUUORDSA-N -1 0 324.337 -0.354 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](OC(=O)Cn2cc(C(=O)[O-])cn2)CN1C ZINC001606378743 1018819346 /nfs/dbraw/zinc/81/93/46/1018819346.db2.gz VMDUYEGCAPMEDU-ZJUUUORDSA-N -1 0 311.294 -0.630 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cn1cccnc1=O ZINC001606382991 1018819374 /nfs/dbraw/zinc/81/93/74/1018819374.db2.gz AGWXHAJABGMBJE-VHSXEESVSA-N -1 0 323.305 -0.892 20 0 DBADRM COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001606376307 1018819482 /nfs/dbraw/zinc/81/94/82/1018819482.db2.gz HTQSRBJFSPBUCQ-RYUDHWBXSA-N -1 0 322.317 -0.069 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001606376007 1018819799 /nfs/dbraw/zinc/81/97/99/1018819799.db2.gz VADFNRHBCXYFTE-GXSJLCMTSA-N -1 0 322.317 -0.136 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1ccnn1C ZINC001606384293 1018819894 /nfs/dbraw/zinc/81/98/94/1018819894.db2.gz NVSFJOQLGZGCDR-GXSJLCMTSA-N -1 0 309.322 -0.173 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cnncc1O ZINC001606386000 1018821424 /nfs/dbraw/zinc/82/14/24/1018821424.db2.gz MGPPESDLYXUOAO-CBAPKCEASA-N -1 0 309.278 -0.339 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCn2ccnn2)C1 ZINC001606392708 1018822361 /nfs/dbraw/zinc/82/23/61/1018822361.db2.gz PRXDVSUSYUTJQY-UWVGGRQHSA-N -1 0 310.310 -0.467 20 0 DBADRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)CCn2ccnn2)C1 ZINC001606392709 1018823278 /nfs/dbraw/zinc/82/32/78/1018823278.db2.gz PRXDVSUSYUTJQY-VHSXEESVSA-N -1 0 310.310 -0.467 20 0 DBADRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001606392480 1018823451 /nfs/dbraw/zinc/82/34/51/1018823451.db2.gz OANYOLQRAYOMFL-QWRGUYRKSA-N -1 0 308.290 -0.202 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCc2cn[nH]n2)[C@@H](C(=O)[O-])C1 ZINC001606402946 1018824552 /nfs/dbraw/zinc/82/45/52/1018824552.db2.gz IHIAYRGRFVYXHF-PSASIEDQSA-N -1 0 310.310 -0.398 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H](O)c2cccnc2)[C@H](C(=O)[O-])C1 ZINC001606403243 1018824584 /nfs/dbraw/zinc/82/45/84/1018824584.db2.gz GCZDDWFCTRRSOE-USWWRNFRSA-N -1 0 322.317 -0.020 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)c2nccnc2N)[C@H](C(=O)[O-])C1 ZINC001606408221 1018825882 /nfs/dbraw/zinc/82/58/82/1018825882.db2.gz AVASNGDCMWCEKS-SFYZADRCSA-N -1 0 308.294 -0.463 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)[C@H](C(=O)[O-])C1 ZINC001606405527 1018826512 /nfs/dbraw/zinc/82/65/12/1018826512.db2.gz ZNBBEUPDVYKPGH-BBBLOLIVSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@H]1CCN(Cc2nnnn2C2CC2)[C@@H](C(=O)[O-])C1 ZINC001606414514 1018827878 /nfs/dbraw/zinc/82/78/78/1018827878.db2.gz SVGXJCDKZWLTGY-WCBMZHEXSA-N -1 0 309.326 -0.154 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C2(OC)CCOCC2)C[C@@H]1C(=O)[O-] ZINC001606414998 1018827894 /nfs/dbraw/zinc/82/78/94/1018827894.db2.gz AYPFMZHSZIEWAT-VHSXEESVSA-N -1 0 315.322 -0.486 20 0 DBADRM COC(=O)[C@@H]1CCN1C(=O)/C=C(/C)C(=O)N1CC[C@@H]1C(=O)[O-] ZINC001606415404 1018827971 /nfs/dbraw/zinc/82/79/71/1018827971.db2.gz FPEQNCQETVEBKS-LKMPMBSTSA-N -1 0 310.306 -0.608 20 0 DBADRM COC(=O)C1CN(C(=O)/C=C/C=C/C(=O)N2CC(C(=O)[O-])C2)C1 ZINC001606415058 1018828542 /nfs/dbraw/zinc/82/85/42/1018828542.db2.gz BHKFRCHBSXYOMO-ZUVMSYQZSA-N -1 0 322.317 -0.727 20 0 DBADRM NC(=O)CCNS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001606415585 1018828809 /nfs/dbraw/zinc/82/88/09/1018828809.db2.gz BYZGVQVUUKFHQM-UHFFFAOYSA-N -1 0 302.341 -0.918 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)C2(O)CCSCC2)C[C@@H]1C(=O)[O-] ZINC001606415199 1018828971 /nfs/dbraw/zinc/82/89/71/1018828971.db2.gz COVQSDXHBIXOEW-IUCAKERBSA-N -1 0 317.363 -0.423 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)C[C@@H]1C(=O)[O-] ZINC001606418001 1018829535 /nfs/dbraw/zinc/82/95/35/1018829535.db2.gz VHRIJELVNXJZII-INTQDDNPSA-N -1 0 321.333 -0.153 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CNCC(F)(F)F)C[C@H]1C(=O)[O-] ZINC001606417701 1018829548 /nfs/dbraw/zinc/82/95/48/1018829548.db2.gz ITLXAUMLKDHBJV-RQJHMYQMSA-N -1 0 312.244 -0.530 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1C(=O)[O-] ZINC001606416439 1018829733 /nfs/dbraw/zinc/82/97/33/1018829733.db2.gz BOICXCAIXIBELC-GHMZBOCLSA-N -1 0 309.322 -0.005 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1C(=O)[O-] ZINC001606416364 1018829893 /nfs/dbraw/zinc/82/98/93/1018829893.db2.gz MNPCNPWOKNEYLT-OPRDCNLKSA-N -1 0 312.322 -0.671 20 0 DBADRM COC(=O)[C@H]1CCN1C(=O)CCCC(=O)N1CC[C@H]1C(=O)[O-] ZINC001606416548 1018830393 /nfs/dbraw/zinc/83/03/93/1018830393.db2.gz NMXYFOJXTRNEAK-VHSXEESVSA-N -1 0 312.322 -0.384 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cc2nnc(C)s2)C[C@H]1C(=O)[O-] ZINC001606419323 1018831144 /nfs/dbraw/zinc/83/11/44/1018831144.db2.gz PFFIGYRZFXYXQZ-HTQZYQBOSA-N -1 0 313.335 -0.279 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2cc(C)nn2C)C[C@@H]1C(=O)[O-] ZINC001606420071 1018831491 /nfs/dbraw/zinc/83/14/91/1018831491.db2.gz GJGOQYPMLVEJJL-WDEREUQCSA-N -1 0 324.337 -0.256 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cnn(C(C)C)c2N)C[C@@H]1C(=O)[O-] ZINC001606425701 1018832386 /nfs/dbraw/zinc/83/23/86/1018832386.db2.gz MSYLRDFGHFLSBN-VHSXEESVSA-N -1 0 324.337 -0.008 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@@H]1C(=O)[O-] ZINC001606425304 1018832740 /nfs/dbraw/zinc/83/27/40/1018832740.db2.gz HNFZNVSHHXJIQK-DTWKUNHWSA-N -1 0 318.289 -0.325 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2ccnc(OC)n2)C[C@@H]1C(=O)[O-] ZINC001606425207 1018832839 /nfs/dbraw/zinc/83/28/39/1018832839.db2.gz GCPZHSQDHMOADN-YUMQZZPRSA-N -1 0 309.278 -0.569 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(=O)n(C)c2)C[C@@H]1C(=O)[O-] ZINC001606424814 1018832862 /nfs/dbraw/zinc/83/28/62/1018832862.db2.gz YBHHFUZZIMFVCR-VHSXEESVSA-N -1 0 323.305 -0.277 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)C[C@H]1C(=O)[O-] ZINC001606423639 1018833096 /nfs/dbraw/zinc/83/30/96/1018833096.db2.gz RJNMSUKVPIMBCN-OGBGREFGSA-N -1 0 312.322 -0.179 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2cc(C=O)n(C)n2)C[C@@H]1C(=O)[O-] ZINC001606424012 1018833361 /nfs/dbraw/zinc/83/33/61/1018833361.db2.gz ZHYBNRSNDWUKFR-IUCAKERBSA-N -1 0 309.278 -0.822 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2cnc(C)o2)C[C@@H]1C(=O)[O-] ZINC001606424995 1018833454 /nfs/dbraw/zinc/83/34/54/1018833454.db2.gz ZATFQCCYHRHXNC-VHSXEESVSA-N -1 0 311.294 -0.002 20 0 DBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)C[C@@H](C)CC(=O)[O-] ZINC001606425178 1018833719 /nfs/dbraw/zinc/83/37/19/1018833719.db2.gz FLVAJTXRTQSVAS-BDAKNGLRSA-N -1 0 300.311 -0.671 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@@H]1C(=O)[O-] ZINC001606426763 1018835045 /nfs/dbraw/zinc/83/50/45/1018835045.db2.gz SURBQASHFQOIMR-JGVFFNPUSA-N -1 0 309.278 -0.569 20 0 DBADRM COC(=O)[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C)C[C@@H]1C(=O)[O-] ZINC001606433279 1018836436 /nfs/dbraw/zinc/83/64/36/1018836436.db2.gz VUYLVGKPJFRPRP-KXUCPTDWSA-N -1 0 324.337 -0.371 20 0 DBADRM COC(=O)[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C)C[C@H]1C(=O)[O-] ZINC001606433282 1018837281 /nfs/dbraw/zinc/83/72/81/1018837281.db2.gz VUYLVGKPJFRPRP-OPRDCNLKSA-N -1 0 324.337 -0.371 20 0 DBADRM COC(=O)[C@H]1CN(S(=O)(=O)CCOC(C)C)C[C@@H]1C(=O)[O-] ZINC001606432428 1018837525 /nfs/dbraw/zinc/83/75/25/1018837525.db2.gz STEUICQGJHTZIC-UWVGGRQHSA-N -1 0 323.367 -0.453 20 0 DBADRM COC(=O)C[C@@H](NC(=O)[C@H](C)N1CCSCC1)C(=O)[O-] ZINC001606439205 1018837902 /nfs/dbraw/zinc/83/79/02/1018837902.db2.gz UATRFPJXOSSRGT-DTWKUNHWSA-N -1 0 304.368 -0.444 20 0 DBADRM NS(=O)(=O)CC1CCN(c2ccnc(-c3nn[nH]n3)c2)CC1 ZINC001606442140 1018838729 /nfs/dbraw/zinc/83/87/29/1018838729.db2.gz DLPIKFSGFPJYHO-UHFFFAOYSA-N -1 0 323.382 -0.233 20 0 DBADRM O=C([O-])[C@H]1CCCN(C(=O)N[C@H]2CCc3nnnn3CC2)C1 ZINC001606445899 1018839711 /nfs/dbraw/zinc/83/97/11/1018839711.db2.gz DAUZUFLNEVFAPQ-UWVGGRQHSA-N -1 0 308.342 -0.116 20 0 DBADRM COC(=O)C[C@@H]1C(=O)NCCN1Cc1cncc(C(=O)[O-])c1 ZINC001606446543 1018839775 /nfs/dbraw/zinc/83/97/75/1018839775.db2.gz KSYVTNIUSWUERM-LLVKDONJSA-N -1 0 307.306 -0.357 20 0 DBADRM COC(=O)C[C@@H]1CS(=O)(=O)CCN1CC1(C(=O)[O-])CC1 ZINC001606447537 1018840023 /nfs/dbraw/zinc/84/00/23/1018840023.db2.gz QOKSIGNOHNVYGK-SECBINFHSA-N -1 0 305.352 -0.487 20 0 DBADRM COC(=O)C[C@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)CCO1 ZINC001606447523 1018840267 /nfs/dbraw/zinc/84/02/67/1018840267.db2.gz PUIMXOJQCUNBDU-VIFPVBQESA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001606443176 1018840684 /nfs/dbraw/zinc/84/06/84/1018840684.db2.gz MYHTWRBYICCLAC-ZCFIWIBFSA-N -1 0 307.280 -0.820 20 0 DBADRM COC(=O)C[C@@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)CCO1 ZINC001606447522 1018840859 /nfs/dbraw/zinc/84/08/59/1018840859.db2.gz PUIMXOJQCUNBDU-SECBINFHSA-N -1 0 311.294 -0.628 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001606443622 1018840954 /nfs/dbraw/zinc/84/09/54/1018840954.db2.gz YGOZTVLYBXVROV-VIFPVBQESA-N -1 0 313.310 -0.598 20 0 DBADRM COC(=O)CC[C@@H](C(=O)OC)N1CCC(O)(C(=O)[O-])CC1 ZINC001606449005 1018841711 /nfs/dbraw/zinc/84/17/11/1018841711.db2.gz SCMLLRLVFSWXMI-VIFPVBQESA-N -1 0 303.311 -0.607 20 0 DBADRM Nc1nc(N)nc(COc2ccc(F)nc2-c2nnn[n-]2)n1 ZINC001606454940 1018842447 /nfs/dbraw/zinc/84/24/47/1018842447.db2.gz FFXBDIFTGNHXAI-UHFFFAOYSA-N -1 0 304.249 -0.671 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CCNC(=O)CC1)C(=O)[O-] ZINC001606458990 1018843043 /nfs/dbraw/zinc/84/30/43/1018843043.db2.gz XMSHMFYXNBZJBP-DTWKUNHWSA-N -1 0 300.311 -0.575 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CN(C)C(=O)C1CC1)C(=O)[O-] ZINC001606459004 1018843555 /nfs/dbraw/zinc/84/35/55/1018843555.db2.gz XQVFWROLOKJSGE-SECBINFHSA-N -1 0 300.311 -0.623 20 0 DBADRM COC(=O)CCc1nnc(NC(=O)COCC(=O)[O-])s1 ZINC001606462205 1018843759 /nfs/dbraw/zinc/84/37/59/1018843759.db2.gz HUDVNDIMMLFFKQ-UHFFFAOYSA-N -1 0 303.296 -0.317 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)C1=C[S@@](=O)CCC1)C(=O)[O-] ZINC001606458452 1018843905 /nfs/dbraw/zinc/84/39/05/1018843905.db2.gz MMJGIFVDLJLWGY-YBYGRFCBSA-N -1 0 303.336 -0.065 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)CN1CCSC1=O)C(=O)[O-] ZINC001606458815 1018844389 /nfs/dbraw/zinc/84/43/89/1018844389.db2.gz UJSNHARZQHRUKI-SSDOTTSWSA-N -1 0 304.324 -0.322 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)[C@@H]1CCc2nncn2CC1)C(=O)[O-] ZINC001606458790 1018844467 /nfs/dbraw/zinc/84/44/67/1018844467.db2.gz SGMORSCFAXAZBX-NXEZZACHSA-N -1 0 324.337 -0.247 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CCn2cc(C)nc2C1 ZINC001606464783 1018844892 /nfs/dbraw/zinc/84/48/92/1018844892.db2.gz NGQXKGJUIPPFCI-JTQLQIEISA-N -1 0 309.322 -0.160 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN(c3cnccn3)CC2)[nH]n1 ZINC001606465598 1018845485 /nfs/dbraw/zinc/84/54/85/1018845485.db2.gz XWNGCOHISYIBCF-UHFFFAOYSA-N -1 0 302.294 -0.140 20 0 DBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)CCC[C@H]1CCOC1 ZINC001606468840 1018845649 /nfs/dbraw/zinc/84/56/49/1018845649.db2.gz XZXVSRKVGRZOCI-JTQLQIEISA-N -1 0 323.367 -0.308 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCCN(C)C(=O)OC ZINC001606464508 1018845665 /nfs/dbraw/zinc/84/56/65/1018845665.db2.gz BYSDMTOMZWXFSA-UHFFFAOYSA-N -1 0 304.299 -0.449 20 0 DBADRM COC(=O)COCCNC(=O)NCc1ncc(C(=O)[O-])s1 ZINC001606473592 1018846832 /nfs/dbraw/zinc/84/68/32/1018846832.db2.gz FVBYWUVCBKUMGM-UHFFFAOYSA-N -1 0 317.323 -0.170 20 0 DBADRM COC(=O)CNC(=O)[C@@H](C)N1CCSC[C@H]1CC(=O)[O-] ZINC001606471525 1018846940 /nfs/dbraw/zinc/84/69/40/1018846940.db2.gz IFKCDMYWJYVUEH-RKDXNWHRSA-N -1 0 304.368 -0.444 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cn1 ZINC001606471669 1018846971 /nfs/dbraw/zinc/84/69/71/1018846971.db2.gz LJAVKYWWYQACHX-VIFPVBQESA-N -1 0 304.262 -0.844 20 0 DBADRM COC(=O)CSCCC(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001606475023 1018847141 /nfs/dbraw/zinc/84/71/41/1018847141.db2.gz ZVJUAGTUWQFUMT-LLVKDONJSA-N -1 0 315.351 -0.042 20 0 DBADRM CC(C)CC(=O)NC/C=C/CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001501649329 1018847345 /nfs/dbraw/zinc/84/73/45/1018847345.db2.gz DWDYFLQNEHITJP-ONEGZZNKSA-N -1 0 311.342 -0.476 20 0 DBADRM COC(=O)N(C)CCCC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001606486356 1018847900 /nfs/dbraw/zinc/84/79/00/1018847900.db2.gz LZOHUFQZIUHYBB-KOLCDFICSA-N -1 0 302.327 -0.099 20 0 DBADRM COC(=O)N1CCC(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1 ZINC001606489927 1018848012 /nfs/dbraw/zinc/84/80/12/1018848012.db2.gz RWBQMQSUIZPVCD-GHMZBOCLSA-N -1 0 314.338 -0.241 20 0 DBADRM CC(C)=CC(=O)NC/C=C/CNC(=O)c1cnc([O-])n(C)c1=O ZINC001501660132 1018848666 /nfs/dbraw/zinc/84/86/66/1018848666.db2.gz RQXPYWRXSDPEOC-SNAWJCMRSA-N -1 0 320.349 -0.146 20 0 DBADRM COC(=O)[C@@H](NC(=O)CN1CC[C@@](F)(C(=O)[O-])C1)C(C)C ZINC001606506207 1018849319 /nfs/dbraw/zinc/84/93/19/1018849319.db2.gz WCVCSCOKYVJCPP-GWCFXTLKSA-N -1 0 304.318 -0.201 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H]1C ZINC001606509426 1018849500 /nfs/dbraw/zinc/84/95/00/1018849500.db2.gz CRBPRYNAFBUXJK-DOLQZWNJSA-N -1 0 312.322 -0.767 20 0 DBADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001606507264 1018849563 /nfs/dbraw/zinc/84/95/63/1018849563.db2.gz YFTYTWRLUPNJBQ-AEJSXWLSSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)C[C@@H]1C ZINC001606506749 1018849814 /nfs/dbraw/zinc/84/98/14/1018849814.db2.gz IXOQFDWRCWNWGS-DTWKUNHWSA-N -1 0 310.310 -0.366 20 0 DBADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001606506007 1018849850 /nfs/dbraw/zinc/84/98/50/1018849850.db2.gz YAEBRTOYSMGFCC-WDEREUQCSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)/C=C/c1ccc(C(N)=O)o1 ZINC001606501556 1018850236 /nfs/dbraw/zinc/85/02/36/1018850236.db2.gz YQZLMUDLRNKZJZ-HYYFJVDXSA-N -1 0 311.246 -0.049 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)CN(C)[C@H]1CCSC1 ZINC001606501934 1018850273 /nfs/dbraw/zinc/85/02/73/1018850273.db2.gz VKAGMCLYCHZFIS-DTWKUNHWSA-N -1 0 305.352 -0.017 20 0 DBADRM COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001606505924 1018850459 /nfs/dbraw/zinc/85/04/59/1018850459.db2.gz NUYXIJKHFMNKEP-BBBLOLIVSA-N -1 0 311.294 -0.758 20 0 DBADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@H](C)C(=O)[O-])C[C@@H](C)O1 ZINC001606510997 1018850843 /nfs/dbraw/zinc/85/08/43/1018850843.db2.gz JJQFVKKNOKJEEZ-YIZRAAEISA-N -1 0 309.340 -0.701 20 0 DBADRM COC(=O)[C@@H]1CN(CN2C[C@@H](C(=O)[O-])OC2=O)C[C@H]1C1CC1 ZINC001606511150 1018851448 /nfs/dbraw/zinc/85/14/48/1018851448.db2.gz ZUKOPLHXXRYYNS-AXFHLTTASA-N -1 0 312.322 -0.020 20 0 DBADRM COC(=O)[C@H]1C[C@@H](NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001606519544 1018851533 /nfs/dbraw/zinc/85/15/33/1018851533.db2.gz OELKNSXFHPXGLX-QEYWKRMJSA-N -1 0 300.311 -0.585 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001606510978 1018851672 /nfs/dbraw/zinc/85/16/72/1018851672.db2.gz IYGQEGBIFMPJPJ-KOLCDFICSA-N -1 0 308.290 -0.543 20 0 DBADRM COC(=O)[C@H]1[C@@H]2CN(S(=O)(=O)C3(C(=O)[O-])CCC3)C[C@@H]21 ZINC001606514710 1018851682 /nfs/dbraw/zinc/85/16/82/1018851682.db2.gz SJOMCNITVSDTBW-BRPSZJMVSA-N -1 0 303.336 -0.326 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])O1 ZINC001606510767 1018851725 /nfs/dbraw/zinc/85/17/25/1018851725.db2.gz WKTUXTUDENZQQS-BBBLOLIVSA-N -1 0 311.294 -0.758 20 0 DBADRM COC(=O)[C@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cn2C)C1 ZINC001606520310 1018851781 /nfs/dbraw/zinc/85/17/81/1018851781.db2.gz YADGOGNLTKRMLH-XWEPSHTISA-N -1 0 316.335 -0.047 20 0 DBADRM COC(=O)[C@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001606515988 1018851998 /nfs/dbraw/zinc/85/19/98/1018851998.db2.gz MSSZTGHHFGEXCY-ZETCQYMHSA-N -1 0 304.324 -0.095 20 0 DBADRM COC(=O)[C@@H]1CN(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)C(=O)O1 ZINC001606511130 1018852003 /nfs/dbraw/zinc/85/20/03/1018852003.db2.gz YOGUJOXENPUNHO-VGMNWLOBSA-N -1 0 302.283 -0.888 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)CCSCC(=O)[O-])C[C@@H](C)O1 ZINC001606519014 1018852020 /nfs/dbraw/zinc/85/20/20/1018852020.db2.gz FEFDMORJDVTERJ-RKDXNWHRSA-N -1 0 305.352 -0.017 20 0 DBADRM O=C([O-])c1cnc(C(=O)N2CC[C@@H](CN3CCOCC3)C2)cn1 ZINC001606534109 1018852457 /nfs/dbraw/zinc/85/24/57/1018852457.db2.gz XZYSQOQBVKGYPC-NSHDSACASA-N -1 0 320.349 -0.031 20 0 DBADRM COC(=O)c1cc(C(=O)NCCC(=O)NCCC(=O)[O-])ccn1 ZINC001606533076 1018853473 /nfs/dbraw/zinc/85/34/73/1018853473.db2.gz IMQLWKNVALNSPE-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cnn3c1NCCC3)C2 ZINC001606553350 1018854274 /nfs/dbraw/zinc/85/42/74/1018854274.db2.gz KGCYZNQNXDVTCQ-XPTSAGLGSA-N -1 0 306.322 -0.128 20 0 DBADRM O=C([O-])[C@]12COC[C@H]1CN(CN1C(=O)c3nccnc3C1=O)C2 ZINC001606566578 1018855576 /nfs/dbraw/zinc/85/55/76/1018855576.db2.gz PZMIVANFKIRKDH-XLKFXECMSA-N -1 0 318.289 -0.937 20 0 DBADRM O=C([O-])C1CCN(Cc2cn(C[C@@H]3CCC(=O)N3)nn2)CC1 ZINC001606560988 1018855787 /nfs/dbraw/zinc/85/57/87/1018855787.db2.gz UVPJITJBWILJBA-NSHDSACASA-N -1 0 307.354 -0.147 20 0 DBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1ccc2c(c1)NC(=O)CNC2=O ZINC001606563607 1018855965 /nfs/dbraw/zinc/85/59/65/1018855965.db2.gz ALIXQDODTBKDMP-KYZUINATSA-N -1 0 317.301 -0.039 20 0 DBADRM O=C([O-])C1(CNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CCC1 ZINC001606569000 1018856076 /nfs/dbraw/zinc/85/60/76/1018856076.db2.gz GGMQTUSZRVNPQF-QMMMGPOBSA-N -1 0 323.309 -0.629 20 0 DBADRM O=C([O-])C1(C(=O)NCCN2C(=O)CCC2=O)CCSCC1 ZINC001606559684 1018856111 /nfs/dbraw/zinc/85/61/11/1018856111.db2.gz NYVQNTYGQKHWNV-UHFFFAOYSA-N -1 0 314.363 -0.150 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)on1 ZINC001606565474 1018856166 /nfs/dbraw/zinc/85/61/66/1018856166.db2.gz CLGDKJYBFVKCJT-KNVOCYPGSA-N -1 0 318.307 -0.055 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)cc1)N[C@]1(C(=O)[O-])CCOC1 ZINC001606592429 1018856549 /nfs/dbraw/zinc/85/65/49/1018856549.db2.gz WXAYJURUUKCFQH-CQSZACIVSA-N -1 0 317.305 -0.231 20 0 DBADRM COC(=O)c1ccc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cn1 ZINC001606572561 1018856566 /nfs/dbraw/zinc/85/65/66/1018856566.db2.gz QQUKLIKDRZUCBV-SNVBAGLBSA-N -1 0 321.289 -0.764 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)cc1)N1CC(NC2COC2)C1 ZINC001606591457 1018857117 /nfs/dbraw/zinc/85/71/17/1018857117.db2.gz RJSKIGXRMFEKRO-UHFFFAOYSA-N -1 0 314.349 -0.392 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)cc1)N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001606593787 1018857330 /nfs/dbraw/zinc/85/73/30/1018857330.db2.gz UFXLJHXMIPWEEL-CNDDSTCGSA-N -1 0 303.322 -0.590 20 0 DBADRM O=C(Cc1ccc(-c2nn[nH]n2)nc1)N1CC[C@](F)(CO)C1 ZINC001606594172 1018857394 /nfs/dbraw/zinc/85/73/94/1018857394.db2.gz FMBCWHGSWLYLKJ-CYBMUJFWSA-N -1 0 306.301 -0.263 20 0 DBADRM COC(=O)c1ccc(C(=O)NCCn2cc(C(=O)[O-])nn2)n1C ZINC001606574178 1018857460 /nfs/dbraw/zinc/85/74/60/1018857460.db2.gz HJYRMVUSRLASHY-UHFFFAOYSA-N -1 0 321.293 -0.469 20 0 DBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CCC(F)CC1 ZINC001606615308 1018858327 /nfs/dbraw/zinc/85/83/27/1018858327.db2.gz OGLHLZUNSFESJN-UHFFFAOYSA-N -1 0 323.288 -0.911 20 0 DBADRM O=C(Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O)NC1CCCC1 ZINC001606615143 1018858486 /nfs/dbraw/zinc/85/84/86/1018858486.db2.gz IEULTVXSBUUSIP-UHFFFAOYSA-N -1 0 305.298 -0.812 20 0 DBADRM COC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)nn1 ZINC001606596078 1018859350 /nfs/dbraw/zinc/85/93/50/1018859350.db2.gz XBEVJWCVYUXTNK-CBAPKCEASA-N -1 0 324.293 -0.031 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H](CO)C1CCCC1 ZINC001606620107 1018860607 /nfs/dbraw/zinc/86/06/07/1018860607.db2.gz CIHGTXSZLCTDGE-VIFPVBQESA-N -1 0 306.330 -0.875 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H](CO)C1CCCC1 ZINC001606620106 1018861271 /nfs/dbraw/zinc/86/12/71/1018861271.db2.gz CIHGTXSZLCTDGE-SECBINFHSA-N -1 0 306.330 -0.875 20 0 DBADRM COC(CN(CCC(=O)[O-])C(=O)Cc1nonc1C)OC ZINC001606668008 1018865363 /nfs/dbraw/zinc/86/53/63/1018865363.db2.gz FGMDDKUSWROTKX-UHFFFAOYSA-N -1 0 301.299 -0.157 20 0 DBADRM COC(=O)c1cnn(CC(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)c1 ZINC001606630071 1018861933 /nfs/dbraw/zinc/86/19/33/1018861933.db2.gz VVGVLPFDIPPSCY-LLVKDONJSA-N -1 0 321.293 -0.655 20 0 DBADRM COC(=O)c1cncc(C(=O)NCCC(=O)NCCC(=O)[O-])c1 ZINC001606628390 1018861997 /nfs/dbraw/zinc/86/19/97/1018861997.db2.gz OCHLMDQRTSFKSC-UHFFFAOYSA-N -1 0 323.305 -0.421 20 0 DBADRM COC(=O)c1csc(CN2CC(=O)N(C)C[C@H]2C(=O)[O-])n1 ZINC001606630395 1018862242 /nfs/dbraw/zinc/86/22/42/1018862242.db2.gz BOPJUCRCYBQWSX-QMMMGPOBSA-N -1 0 313.335 -0.343 20 0 DBADRM COC(=O)c1cnc(CNC(=O)NCCOCC(=O)[O-])s1 ZINC001606625078 1018862356 /nfs/dbraw/zinc/86/23/56/1018862356.db2.gz UFJGPCLECGPZBX-UHFFFAOYSA-N -1 0 317.323 -0.170 20 0 DBADRM COC(=O)c1cnc(C(=O)N2CCSC[C@H]2C(=O)[O-])cn1 ZINC001606625080 1018862754 /nfs/dbraw/zinc/86/27/54/1018862754.db2.gz HAWCWWPRBVUYCT-VIFPVBQESA-N -1 0 311.319 -0.095 20 0 DBADRM COC(=O)c1csc(CN2CC(=O)N(C)C[C@@H]2C(=O)[O-])n1 ZINC001606630394 1018862902 /nfs/dbraw/zinc/86/29/02/1018862902.db2.gz BOPJUCRCYBQWSX-MRVPVSSYSA-N -1 0 313.335 -0.343 20 0 DBADRM COC(=O)c1cn(CC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)nn1 ZINC001606626520 1018862918 /nfs/dbraw/zinc/86/29/18/1018862918.db2.gz ZWKMLNCEWYSBJC-UJVNDKKSSA-N -1 0 308.294 -0.566 20 0 DBADRM COC(=O)c1cncc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c1 ZINC001606627759 1018863126 /nfs/dbraw/zinc/86/31/26/1018863126.db2.gz AKMKOZGSDZFNMQ-QWRGUYRKSA-N -1 0 308.290 -0.082 20 0 DBADRM CO[C@H](C)C(=O)N1[C@H](C(=O)NCCC(=O)[O-])CS[C@H]1C ZINC001606659612 1018863850 /nfs/dbraw/zinc/86/38/50/1018863850.db2.gz PPNIOVXYKLEBNJ-VGMNWLOBSA-N -1 0 304.368 -0.098 20 0 DBADRM CO[C@H](C)CC(=O)N[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@@H]1O ZINC001606659951 1018863562 /nfs/dbraw/zinc/86/35/62/1018863562.db2.gz QZHQWDHESSSJBA-IEBDPFPHSA-N -1 0 324.337 -0.735 20 0 DBADRM CO[C@H](C)CN(C)C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001606661090 1018863649 /nfs/dbraw/zinc/86/36/49/1018863649.db2.gz IVSIKXVNONVFPV-NXEZZACHSA-N -1 0 302.327 -0.818 20 0 DBADRM COC(C)(C)CN(C)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001606655885 1018863762 /nfs/dbraw/zinc/86/37/62/1018863762.db2.gz DSFTZJDMYXSQKT-UHFFFAOYSA-N -1 0 312.326 -0.060 20 0 DBADRM CO[C@H](C)C(=O)NC[C@@H](Nc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001606659803 1018863800 /nfs/dbraw/zinc/86/38/00/1018863800.db2.gz SRJRRGQLUJWRNR-PSASIEDQSA-N -1 0 308.338 -0.062 20 0 DBADRM CO[C@H](C(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1)c1cnn(C)c1 ZINC001606647812 1018863948 /nfs/dbraw/zinc/86/39/48/1018863948.db2.gz HFKJIGBOMRJXKH-DLOVCJGASA-N -1 0 311.338 -0.039 20 0 DBADRM CO[C@H](C)C(=O)NC[C@H]1CN(c2ncc(C(=O)[O-])cn2)CCO1 ZINC001606659755 1018864154 /nfs/dbraw/zinc/86/41/54/1018864154.db2.gz ROOKTJOJJAGSNG-KOLCDFICSA-N -1 0 324.337 -0.469 20 0 DBADRM CO[C@@H](C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)C(C)C ZINC001606650093 1018864300 /nfs/dbraw/zinc/86/43/00/1018864300.db2.gz FUFFBHNIKQGGDK-YGOYTEALSA-N -1 0 307.368 -0.339 20 0 DBADRM CO[C@](C)(CO)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001606660308 1018864461 /nfs/dbraw/zinc/86/44/61/1018864461.db2.gz ZYDODVYOTWYVFA-AWEZNQCLSA-N -1 0 310.306 -0.163 20 0 DBADRM CO[C@H](C)C(=O)NC[C@H](Nc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001606659805 1018864478 /nfs/dbraw/zinc/86/44/78/1018864478.db2.gz SRJRRGQLUJWRNR-SCZZXKLOSA-N -1 0 308.338 -0.062 20 0 DBADRM COC(CN(CCCO)C(=O)c1cc(C(=O)[O-])on1)OC ZINC001606674293 1018865094 /nfs/dbraw/zinc/86/50/94/1018865094.db2.gz GQXRVGKONIQECX-UHFFFAOYSA-N -1 0 302.283 -0.184 20 0 DBADRM CO[C@H](CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-])[C@@H]1CCOC1 ZINC001606673355 1018865327 /nfs/dbraw/zinc/86/53/27/1018865327.db2.gz HWXDTCCVFAUNLC-IJLUTSLNSA-N -1 0 321.395 -0.388 20 0 DBADRM CO[C@H](CNS(=O)(=O)C1(C(=O)[O-])CCC1)[C@H]1CCOC1 ZINC001606679240 1018865434 /nfs/dbraw/zinc/86/54/34/1018865434.db2.gz AYOPIOKLAIVAEW-VHSXEESVSA-N -1 0 307.368 -0.035 20 0 DBADRM COC(CN(CCC(=O)[O-])Cc1nnc2n1CCOC2)OC ZINC001606674995 1018865857 /nfs/dbraw/zinc/86/58/57/1018865857.db2.gz WHGJLNPTPCUFFV-UHFFFAOYSA-N -1 0 314.342 -0.296 20 0 DBADRM CO[C@H](CC(C)C)CS(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001606668097 1018866041 /nfs/dbraw/zinc/86/60/41/1018866041.db2.gz HQEHLZMLGFOXNB-MXWKQRLJSA-N -1 0 309.384 -0.103 20 0 DBADRM CO[C@@H](CS(=O)(=O)NC1CC(C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001606682614 1018866843 /nfs/dbraw/zinc/86/68/43/1018866843.db2.gz FWDACEXEOXCNAO-SFXRXQKFSA-N -1 0 307.368 -0.180 20 0 DBADRM CO[C@H](Cc1ccccc1)CS(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC001606685062 1018866947 /nfs/dbraw/zinc/86/69/47/1018866947.db2.gz DBOHVDURHAAQPR-VXGBXAGGSA-N -1 0 317.363 -0.391 20 0 DBADRM CO[C@@]1(C(=O)N[C@@H](CC(=O)[O-])C2CC2)CCS(=O)(=O)C1 ZINC001606690441 1018867107 /nfs/dbraw/zinc/86/71/07/1018867107.db2.gz PXAXHEUZTOOBFZ-CABZTGNLSA-N -1 0 305.352 -0.440 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCc2nnc3n2CCC3)C1 ZINC001606697322 1018868112 /nfs/dbraw/zinc/86/81/12/1018868112.db2.gz BHTSRCGGCDZHQG-CYBMUJFWSA-N -1 0 309.326 -0.391 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCOCC2CC2)C1 ZINC001606697169 1018868116 /nfs/dbraw/zinc/86/81/16/1018868116.db2.gz SVDZXOCDRYGWHU-AWEZNQCLSA-N -1 0 314.338 -0.769 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H](C)c2cccnc2)C1 ZINC001606692595 1018868188 /nfs/dbraw/zinc/86/81/88/1018868188.db2.gz YVOMMZVPJNOFOZ-MEBBXXQBSA-N -1 0 321.333 -0.039 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOCC[C@H]2C)C1 ZINC001606691909 1018868395 /nfs/dbraw/zinc/86/83/95/1018868395.db2.gz SLFAQWJJZIUCSC-QMTHXVAHSA-N -1 0 314.338 -0.674 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H]2[C@H](C)O)C1 ZINC001606691904 1018868457 /nfs/dbraw/zinc/86/84/57/1018868457.db2.gz SKSNTAUBQSBZHZ-IMSIIYSGSA-N -1 0 314.338 -0.940 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@H](C)OC[C@H]2C)C1 ZINC001606692613 1018868975 /nfs/dbraw/zinc/86/89/75/1018868975.db2.gz ZABZQYDOYCUYRN-ISTVAULSSA-N -1 0 314.338 -0.676 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCCN2CCOCC2)C1 ZINC001606698037 1018869262 /nfs/dbraw/zinc/86/92/62/1018869262.db2.gz GBMDKOBNDWADOC-CYBMUJFWSA-N -1 0 301.343 -0.796 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCCCN2CCOC2=O)C1 ZINC001606699216 1018870065 /nfs/dbraw/zinc/87/00/65/1018870065.db2.gz QHDKFKDUTJKYGZ-ZDUSSCGKSA-N -1 0 315.326 -0.286 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCC(=O)N(C)C2=O)C1 ZINC001606698527 1018870185 /nfs/dbraw/zinc/87/01/85/1018870185.db2.gz WVQXRTYVBMTAJR-SDBXPKJASA-N -1 0 313.310 -0.981 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)Nc2nc(C(N)=O)cs2)C1 ZINC001606700594 1018870333 /nfs/dbraw/zinc/87/03/33/1018870333.db2.gz UNQPPBOYNHJOMO-LLVKDONJSA-N -1 0 314.323 -0.051 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2nc3nccc(C)n3n2)C1 ZINC001606700062 1018870556 /nfs/dbraw/zinc/87/05/56/1018870556.db2.gz DSFAGUCYXOBNCJ-ZDUSSCGKSA-N -1 0 305.294 -0.252 20 0 DBADRM COC1(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001606714982 1018871312 /nfs/dbraw/zinc/87/13/12/1018871312.db2.gz UQGPZXMWAJMYDY-SNVBAGLBSA-N -1 0 314.338 -0.769 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001606707023 1018871550 /nfs/dbraw/zinc/87/15/50/1018871550.db2.gz UOLSEIACENBMAI-SMDDNHRTSA-N -1 0 310.354 -0.010 20 0 DBADRM COC1(C(=O)O[C@@H]2CCC[C@H](C(=O)[O-])C2)CS(=O)(=O)C1 ZINC001606707576 1018872110 /nfs/dbraw/zinc/87/21/10/1018872110.db2.gz YADDAEXGROMMRL-DTWKUNHWSA-N -1 0 306.336 -0.013 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2[C@@H]2C[C@@H]3CC[C@H]2O3)C1 ZINC001606706716 1018872137 /nfs/dbraw/zinc/87/21/37/1018872137.db2.gz QHYMRDRSDHGESR-DCJFZGGZSA-N -1 0 309.326 -0.155 20 0 DBADRM COC1(OC)CC(NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001606721914 1018873236 /nfs/dbraw/zinc/87/32/36/1018873236.db2.gz CDFUODORKRYNCC-UHFFFAOYSA-N -1 0 305.312 -0.462 20 0 DBADRM COC1(OC)CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C[C@@H]1O ZINC001606722539 1018873064 /nfs/dbraw/zinc/87/30/64/1018873064.db2.gz ICBUQVZKCCWWAT-UTLUCORTSA-N -1 0 303.311 -0.799 20 0 DBADRM CO[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)[C@](C)(C(=O)[O-])C1 ZINC001606763606 1018874194 /nfs/dbraw/zinc/87/41/94/1018874194.db2.gz MSJRTJGBJSACON-UPFKWVMWSA-N -1 0 313.310 -0.935 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001606771911 1018875437 /nfs/dbraw/zinc/87/54/37/1018875437.db2.gz MLAOOGGBJCNKDQ-OAHLLOKOSA-N -1 0 323.349 -0.008 20 0 DBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CN1CCC(CO)CC1 ZINC001606779125 1018876643 /nfs/dbraw/zinc/87/66/43/1018876643.db2.gz CTLXXJZUSFYVRS-CQSZACIVSA-N -1 0 302.371 -0.313 20 0 DBADRM COC[C@](C)(NCC(=O)N1CCC[C@@H](NC(C)=O)C1)C(=O)[O-] ZINC001606790695 1018877697 /nfs/dbraw/zinc/87/76/97/1018877697.db2.gz DDMOYCXKEJDAGF-RISCZKNCSA-N -1 0 315.370 -0.807 20 0 DBADRM O=C(NCCc1cnc(=O)[nH]c1)c1cc(-c2nn[nH]n2)ccn1 ZINC001606796232 1018878021 /nfs/dbraw/zinc/87/80/21/1018878021.db2.gz NPTYHPOEOMWFKC-UHFFFAOYSA-N -1 0 312.293 -0.270 20 0 DBADRM COC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001606792622 1018878834 /nfs/dbraw/zinc/87/88/34/1018878834.db2.gz XFUBHOQAWCZUFL-ZDUSSCGKSA-N -1 0 313.310 -0.825 20 0 DBADRM COC[C@H](C)CNC(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001606797171 1018878854 /nfs/dbraw/zinc/87/88/54/1018878854.db2.gz GSCOIQBPUBWQBL-RNCFNFMXSA-N -1 0 302.327 -0.913 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccc2cccnn21 ZINC001606801877 1018879981 /nfs/dbraw/zinc/87/99/81/1018879981.db2.gz CTOIFIAYZKTWKL-UHFFFAOYSA-N -1 0 324.308 -0.464 20 0 DBADRM COC[C@@H](CO)NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001606805314 1018881076 /nfs/dbraw/zinc/88/10/76/1018881076.db2.gz ZVKFHLSGOHYENB-SNVBAGLBSA-N -1 0 303.336 -0.401 20 0 DBADRM COC[C@@H](NC(=O)[C@H]1COCCN1C1CCCC1)C(=O)[O-] ZINC001606806277 1018881301 /nfs/dbraw/zinc/88/13/01/1018881301.db2.gz LTMFAHJLOIYIGO-VXGBXAGGSA-N -1 0 300.355 -0.154 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(F)ccc1C(=O)[O-])C(N)=O ZINC001606816125 1018881403 /nfs/dbraw/zinc/88/14/03/1018881403.db2.gz OFLWMRQVDXZRSX-MRVPVSSYSA-N -1 0 320.298 -0.698 20 0 DBADRM COC[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)C(N)=O ZINC001606807665 1018881618 /nfs/dbraw/zinc/88/16/18/1018881618.db2.gz ONWGNXRLKHIYTN-JTQLQIEISA-N -1 0 311.294 -0.228 20 0 DBADRM COC[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc21)C(=O)[O-] ZINC001606815034 1018881952 /nfs/dbraw/zinc/88/19/52/1018881952.db2.gz NXRRNILIJYMYOA-SNVBAGLBSA-N -1 0 305.290 -0.237 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)C(=O)[O-] ZINC001606806382 1018882226 /nfs/dbraw/zinc/88/22/26/1018882226.db2.gz OYWSIBGABWNPMY-NKWVEPMBSA-N -1 0 312.244 -0.245 20 0 DBADRM COC[C@H](CO)NC(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC001606805288 1018882261 /nfs/dbraw/zinc/88/22/61/1018882261.db2.gz ZGCFFWHWBQNBSE-NSHDSACASA-N -1 0 312.322 -0.044 20 0 DBADRM COC[C@@H](NC(=O)c1cccc(Nc2nn[nH]n2)c1)C(=O)[O-] ZINC001606812972 1018882292 /nfs/dbraw/zinc/88/22/92/1018882292.db2.gz NEMKWZINVLSALB-SECBINFHSA-N -1 0 306.282 -0.227 20 0 DBADRM COC[C@H](OC)C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001606822034 1018882542 /nfs/dbraw/zinc/88/25/42/1018882542.db2.gz GXUUKGPIPSZDDC-UTLUCORTSA-N -1 0 303.311 -0.487 20 0 DBADRM COC[C@@H](OC)C(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-] ZINC001606823670 1018882765 /nfs/dbraw/zinc/88/27/65/1018882765.db2.gz WJAYSXXDOKYDGZ-ZCFIWIBFSA-N -1 0 303.271 -0.921 20 0 DBADRM COC[C@H](OC)C(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001606823660 1018883010 /nfs/dbraw/zinc/88/30/10/1018883010.db2.gz WGMAEZJGVZRFNG-UWVGGRQHSA-N -1 0 324.337 -0.729 20 0 DBADRM COC[C@H](OC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001606818644 1018883126 /nfs/dbraw/zinc/88/31/26/1018883126.db2.gz NSHOUENZOVBHTC-WPRPVWTQSA-N -1 0 311.294 -0.584 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)OC ZINC001606816458 1018883163 /nfs/dbraw/zinc/88/31/63/1018883163.db2.gz XDUJXJUYWKLXFH-MRVPVSSYSA-N -1 0 306.296 -0.821 20 0 DBADRM COC[C@H](O)CCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001606817298 1018883390 /nfs/dbraw/zinc/88/33/90/1018883390.db2.gz CZRFLFNZXURVJB-LLVKDONJSA-N -1 0 324.333 -0.234 20 0 DBADRM COC[C@@]1(C(=O)OC)CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001606834513 1018884766 /nfs/dbraw/zinc/88/47/66/1018884766.db2.gz ICSCMVIKMWFOBU-ISTVAULSSA-N -1 0 315.322 -0.201 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H](O)Cc1cnn(C)c1 ZINC001606829977 1018885279 /nfs/dbraw/zinc/88/52/79/1018885279.db2.gz FVNSWFDHZNZUBX-SMDDNHRTSA-N -1 0 311.338 -0.584 20 0 DBADRM COC[C@@]1(C(=O)[O-])CCCN1c1nccc(S(C)(=O)=O)n1 ZINC001606834812 1018884954 /nfs/dbraw/zinc/88/49/54/1018884954.db2.gz XPAKZXWGFLULFP-GFCCVEGCSA-N -1 0 315.351 -0.050 20 0 DBADRM COC[C@H]1CCCN1NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001606846404 1018885638 /nfs/dbraw/zinc/88/56/38/1018885638.db2.gz CVGZZZBZLYMHQB-MNOVXSKESA-N -1 0 313.354 -0.548 20 0 DBADRM COCC1(O)CN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001606842780 1018885946 /nfs/dbraw/zinc/88/59/46/1018885946.db2.gz SGBACPMVCQWCSH-UHFFFAOYSA-N -1 0 308.337 -0.777 20 0 DBADRM COCC1(NC(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)CCC1 ZINC001606840733 1018886567 /nfs/dbraw/zinc/88/65/67/1018886567.db2.gz AMXLIKHFMHKTNL-UHFFFAOYSA-N -1 0 324.337 -0.100 20 0 DBADRM COCC[C@](C)(O)CNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001606852993 1018887362 /nfs/dbraw/zinc/88/73/62/1018887362.db2.gz YBRJZHLRIAESHB-LBPRGKRZSA-N -1 0 318.351 -0.154 20 0 DBADRM COCCC(=O)NC[C@@H](Nc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001606851121 1018887544 /nfs/dbraw/zinc/88/75/44/1018887544.db2.gz DPZARPKUMJCMQU-SNVBAGLBSA-N -1 0 308.338 -0.060 20 0 DBADRM COCC[C@H](C)S(=O)(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001606852395 1018887806 /nfs/dbraw/zinc/88/78/06/1018887806.db2.gz JTQLSCYGGUJZDS-DTWKUNHWSA-N -1 0 311.356 -0.453 20 0 DBADRM COCC[C@H](NC(=O)CCN1C(=O)CCNC1=S)C(=O)[O-] ZINC001606854742 1018887832 /nfs/dbraw/zinc/88/78/32/1018887832.db2.gz FNHQIEOFIXXZRM-QMMMGPOBSA-N -1 0 317.367 -0.911 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CCO1 ZINC001606847569 1018887853 /nfs/dbraw/zinc/88/78/53/1018887853.db2.gz GYLDRRQUQQFYJK-QMTHXVAHSA-N -1 0 314.338 -0.817 20 0 DBADRM COC[C@H]1CNCCN1S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001606848795 1018888272 /nfs/dbraw/zinc/88/82/72/1018888272.db2.gz VLLAROOGCHASDX-SECBINFHSA-N -1 0 318.351 -0.105 20 0 DBADRM COCC[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001606856732 1018888853 /nfs/dbraw/zinc/88/88/53/1018888853.db2.gz URADUZWKFCJVPP-MRVPVSSYSA-N -1 0 313.310 -0.825 20 0 DBADRM COCC[C@H](NC(=O)CCc1ocnc1C(=O)[O-])C(=O)OC ZINC001606858738 1018889234 /nfs/dbraw/zinc/88/92/34/1018889234.db2.gz PLONCSVUWQOHPV-QMMMGPOBSA-N -1 0 314.294 0.000 20 0 DBADRM COCC[C@H]1COCCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001606864857 1018889286 /nfs/dbraw/zinc/88/92/86/1018889286.db2.gz MTDJSDIJOHXJGI-JTQLQIEISA-N -1 0 307.368 -0.082 20 0 DBADRM COCC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(N)=O ZINC001606862728 1018889677 /nfs/dbraw/zinc/88/96/77/1018889677.db2.gz DHGJEPPCVFNAGW-JTQLQIEISA-N -1 0 316.335 -0.447 20 0 DBADRM COCC[C@@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-] ZINC001606859108 1018889707 /nfs/dbraw/zinc/88/97/07/1018889707.db2.gz IPTATFWYEYEWTC-SECBINFHSA-N -1 0 321.289 -0.564 20 0 DBADRM COCC[C@@H](NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)[O-] ZINC001606857796 1018889790 /nfs/dbraw/zinc/88/97/90/1018889790.db2.gz DULBUJTXKCFLFK-LLVKDONJSA-N -1 0 310.306 -0.272 20 0 DBADRM COCCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001606878870 1018890263 /nfs/dbraw/zinc/89/02/63/1018890263.db2.gz IVWGCUBMPNRIFM-GARJFASQSA-N -1 0 319.379 -0.241 20 0 DBADRM COCCCn1cc(C)c(NC(=O)N2CC(O)(C(=O)[O-])C2)n1 ZINC001606877921 1018890749 /nfs/dbraw/zinc/89/07/49/1018890749.db2.gz GBLUWUZUGDIJIH-UHFFFAOYSA-N -1 0 312.326 -0.109 20 0 DBADRM COCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001606878920 1018890760 /nfs/dbraw/zinc/89/07/60/1018890760.db2.gz WDHOAIWFMLGXBI-VHSXEESVSA-N -1 0 323.367 -0.309 20 0 DBADRM COCCCN(CCO)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001606870485 1018891087 /nfs/dbraw/zinc/89/10/87/1018891087.db2.gz YIPJFYHSTBSCHK-UHFFFAOYSA-N -1 0 312.322 -0.596 20 0 DBADRM COCCN1C[C@H](C(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1=O ZINC001606893904 1018892051 /nfs/dbraw/zinc/89/20/51/1018892051.db2.gz YXIJKQRZFCIVQG-RKDXNWHRSA-N -1 0 320.292 -0.198 20 0 DBADRM COCCN1C[C@@H](C(=O)Nc2cc(C(=O)[O-])nn2C)CC1=O ZINC001606893766 1018892191 /nfs/dbraw/zinc/89/21/91/1018892191.db2.gz SULINJRNRLFXNZ-QMMMGPOBSA-N -1 0 310.310 -0.448 20 0 DBADRM COCCN1CN(C(=O)NC[C@H](CC(=O)[O-])C2CC2)CC1=O ZINC001606894786 1018892300 /nfs/dbraw/zinc/89/23/00/1018892300.db2.gz IJPXGXWKSCKDOO-NSHDSACASA-N -1 0 313.354 -0.055 20 0 DBADRM COCCN1C[C@@H](C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1=O ZINC001606892837 1018892606 /nfs/dbraw/zinc/89/26/06/1018892606.db2.gz BRPKKCYGIDLLGG-JFGNBEQYSA-N -1 0 314.338 -0.913 20 0 DBADRM COCCN(CC(=O)[O-])C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001606881738 1018892781 /nfs/dbraw/zinc/89/27/81/1018892781.db2.gz HZZZVEZSDMSLRA-GCDPNZCJSA-N -1 0 313.306 -0.733 20 0 DBADRM COCCNc1nc(CC(=O)N[C@@](C)(CO)C(=O)[O-])cs1 ZINC001606898456 1018893671 /nfs/dbraw/zinc/89/36/71/1018893671.db2.gz KLXUSGZOXRMOOY-LBPRGKRZSA-N -1 0 317.367 -0.304 20 0 DBADRM COCCOC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606903082 1018894166 /nfs/dbraw/zinc/89/41/66/1018894166.db2.gz AHMXDAVZYQMLFK-ZETCQYMHSA-N -1 0 307.328 -0.562 20 0 DBADRM COCCOCC(=O)N[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001606900137 1018894201 /nfs/dbraw/zinc/89/42/01/1018894201.db2.gz DPLFAXKNVPJIRU-XYPYZODXSA-N -1 0 324.337 -0.103 20 0 DBADRM COCCNC(=O)C1(NC(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC001606895039 1018894487 /nfs/dbraw/zinc/89/44/87/1018894487.db2.gz KJGWCMOXQNRXKK-UHFFFAOYSA-N -1 0 307.306 -0.195 20 0 DBADRM COCCc1nc(Cn2nc(C(=O)[O-])cc2C(=O)OC)no1 ZINC001606925141 1018895080 /nfs/dbraw/zinc/89/50/80/1018895080.db2.gz RLCYALAGOZYKRG-UHFFFAOYSA-N -1 0 310.266 -0.012 20 0 DBADRM COCCOCCS(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001606906658 1018895184 /nfs/dbraw/zinc/89/51/84/1018895184.db2.gz OTUYGBAUDANTPR-LLVKDONJSA-N -1 0 311.356 -0.797 20 0 DBADRM COCCc1cc(NC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])n(C)n1 ZINC001606922094 1018895280 /nfs/dbraw/zinc/89/52/80/1018895280.db2.gz FWAJVCGPBRBFRF-GXSJLCMTSA-N -1 0 312.326 -0.027 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001606920438 1018895842 /nfs/dbraw/zinc/89/58/42/1018895842.db2.gz VOOIWWRRMLCDIH-GFCCVEGCSA-N -1 0 323.367 -0.812 20 0 DBADRM COCCn1nc(C(=O)Nc2ccn(CC(=O)[O-])n2)ccc1=O ZINC001606933129 1018896681 /nfs/dbraw/zinc/89/66/81/1018896681.db2.gz NOALARCQWJTEDB-UHFFFAOYSA-N -1 0 321.293 -0.577 20 0 DBADRM COCCn1cc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])nn1 ZINC001606929554 1018896756 /nfs/dbraw/zinc/89/67/56/1018896756.db2.gz SIHHUUPYWVXBQS-ZJUUUORDSA-N -1 0 312.326 -0.323 20 0 DBADRM COCCn1c([C@H](C)O)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001606929511 1018896861 /nfs/dbraw/zinc/89/68/61/1018896861.db2.gz QTIKNZDIEMJGGV-DTWKUNHWSA-N -1 0 300.315 -0.732 20 0 DBADRM COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001606937652 1018897021 /nfs/dbraw/zinc/89/70/21/1018897021.db2.gz CTLPUPAVQQENNV-JGVFFNPUSA-N -1 0 305.308 -0.252 20 0 DBADRM COCCn1cc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])nn1 ZINC001606929553 1018897105 /nfs/dbraw/zinc/89/71/05/1018897105.db2.gz SIHHUUPYWVXBQS-VHSXEESVSA-N -1 0 312.326 -0.323 20 0 DBADRM COCCn1cc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c(C)n1 ZINC001606929268 1018897159 /nfs/dbraw/zinc/89/71/59/1018897159.db2.gz KPEGBMGCDCEGPC-QWRGUYRKSA-N -1 0 311.338 -0.254 20 0 DBADRM COC[C@H](O)CNS(=O)(=O)c1cc(OC)ccc1C(=O)[O-] ZINC001606938858 1018898070 /nfs/dbraw/zinc/89/80/70/1018898070.db2.gz KEUIIXTVYAKDGB-MRVPVSSYSA-N -1 0 319.335 -0.321 20 0 DBADRM O=C(CCCF)NCC=CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001501943210 1018898057 /nfs/dbraw/zinc/89/80/57/1018898057.db2.gz NGWHTJAKPSZTTK-OWOJBTEDSA-N -1 0 313.289 -0.565 20 0 DBADRM COC[C@H]1C[C@@H](NC(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001606939428 1018898803 /nfs/dbraw/zinc/89/88/03/1018898803.db2.gz ZVNCGFVTYBRHJT-AOOOYVTPSA-N -1 0 301.343 -0.308 20 0 DBADRM CON(C)C(=O)C1CCN([C@H](C)C(=O)NCC(=O)[O-])CC1 ZINC001606990122 1018899878 /nfs/dbraw/zinc/89/98/78/1018899878.db2.gz MJXQVJUFFIVSHU-SECBINFHSA-N -1 0 301.343 -0.693 20 0 DBADRM CON(C)C1CN(S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)C1 ZINC001606990003 1018900009 /nfs/dbraw/zinc/90/00/09/1018900009.db2.gz YCOUEABNVHRLCA-UHFFFAOYSA-N -1 0 315.351 -0.046 20 0 DBADRM COCc1nc(-c2nnc(N3CC[C@@H](C(=O)[O-])C3)n2C)no1 ZINC001606970605 1018900030 /nfs/dbraw/zinc/90/00/30/1018900030.db2.gz FQYSUADHQLJHDS-SSDOTTSWSA-N -1 0 308.298 -0.078 20 0 DBADRM COCc1nccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001606979923 1018900067 /nfs/dbraw/zinc/90/00/67/1018900067.db2.gz DJDXGHZEYDDHTK-UHFFFAOYSA-N -1 0 322.321 -0.115 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001606990345 1018900170 /nfs/dbraw/zinc/90/01/70/1018900170.db2.gz WIWAKEQGASYHMR-IUCAKERBSA-N -1 0 319.383 -0.146 20 0 DBADRM COCc1n[nH]c(CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])n1 ZINC001606981003 1018900943 /nfs/dbraw/zinc/90/09/43/1018900943.db2.gz HOVBAUDPJPXFSX-GMSGAONNSA-N -1 0 313.314 -0.760 20 0 DBADRM CON(C)C(=O)C1CCN([C@@H](C)C(=O)NCC(=O)[O-])CC1 ZINC001606990123 1018901609 /nfs/dbraw/zinc/90/16/09/1018901609.db2.gz MJXQVJUFFIVSHU-VIFPVBQESA-N -1 0 301.343 -0.693 20 0 DBADRM COCc1nc(OC)cc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])n1 ZINC001606977847 1018901925 /nfs/dbraw/zinc/90/19/25/1018901925.db2.gz GKHAVLWCQGMINW-SECBINFHSA-N -1 0 324.337 -0.199 20 0 DBADRM CON(C)C(=O)[C@H](C)NC(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001606989928 1018902146 /nfs/dbraw/zinc/90/21/46/1018902146.db2.gz IELBRSRRAZSMLN-QPUJVOFHSA-N -1 0 303.315 -0.720 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC001607000202 1018903239 /nfs/dbraw/zinc/90/32/39/1018903239.db2.gz WTHVIHMYTKECSR-HTQZYQBOSA-N -1 0 314.319 -0.085 20 0 DBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001607000266 1018903719 /nfs/dbraw/zinc/90/37/19/1018903719.db2.gz YFCPHITUTNTQRM-GWOFURMSSA-N -1 0 307.368 -0.037 20 0 DBADRM CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001606999730 1018904548 /nfs/dbraw/zinc/90/45/48/1018904548.db2.gz GDWBIJCKDZEQQB-GHMZBOCLSA-N -1 0 308.290 -0.147 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001606999410 1018905827 /nfs/dbraw/zinc/90/58/27/1018905827.db2.gz VQNYUKUCHPNMME-NXEZZACHSA-N -1 0 319.339 -0.950 20 0 DBADRM O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001607000439 1018906074 /nfs/dbraw/zinc/90/60/74/1018906074.db2.gz HYTOHIRRZAIFGC-LURJTMIESA-N -1 0 300.286 -0.662 20 0 DBADRM CO[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)C1 ZINC001607007035 1018908876 /nfs/dbraw/zinc/90/88/76/1018908876.db2.gz XLVBDNVMEPFWNB-CZMCAQCFSA-N -1 0 324.337 -0.065 20 0 DBADRM CO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001607006562 1018909199 /nfs/dbraw/zinc/90/91/99/1018909199.db2.gz NQIUDZFOUZPKGB-OCAPTIKFSA-N -1 0 310.310 -0.307 20 0 DBADRM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)[C@H]1CCNC(=O)C1 ZINC001607039777 1018916690 /nfs/dbraw/zinc/91/66/90/1018916690.db2.gz OHURPPHAJFGUEL-VIFPVBQESA-N -1 0 302.294 -0.197 20 0 DBADRM CC(C)=CC(=O)N[C@H](C)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001502006322 1018918785 /nfs/dbraw/zinc/91/87/85/1018918785.db2.gz AAVFMFWXKIWFHH-SECBINFHSA-N -1 0 308.338 -0.313 20 0 DBADRM COc1c(NC(=O)NCCS(N)(=O)=O)cccc1C(=O)[O-] ZINC001607034819 1018918853 /nfs/dbraw/zinc/91/88/53/1018918853.db2.gz XWKHWADAXDSKQE-UHFFFAOYSA-N -1 0 317.323 -0.197 20 0 DBADRM O=C1NCC[C@@H]1NS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001607052723 1018931691 /nfs/dbraw/zinc/93/16/91/1018931691.db2.gz KIJSNJZCVDEQRD-YFKPBYRVSA-N -1 0 314.352 -0.905 20 0 DBADRM O=S(=O)(N[C@H](CO)C1CC1)c1ccsc1-c1nnn[n-]1 ZINC001607062526 1018938309 /nfs/dbraw/zinc/93/83/09/1018938309.db2.gz JEFIYPULMZZHBL-SSDOTTSWSA-N -1 0 315.380 -0.023 20 0 DBADRM O=S(=O)(NCCC1(CO)CC1)c1cccnc1-c1nnn[n-]1 ZINC001607062704 1018938698 /nfs/dbraw/zinc/93/86/98/1018938698.db2.gz KIOHTSQSYFXIAQ-UHFFFAOYSA-N -1 0 324.366 -0.297 20 0 DBADRM O=S(=O)(N[C@@H]1CC12CC(O)C2)c1ccc(-c2nnn[n-]2)o1 ZINC001607059767 1018938786 /nfs/dbraw/zinc/93/87/86/1018938786.db2.gz MAVCZVUIQWGCJX-NUQKGASQSA-N -1 0 311.323 -0.349 20 0 DBADRM O=S(=O)(N[C@H]1CC12CC(O)C2)c1ccc(-c2nnn[n-]2)o1 ZINC001607059769 1018939294 /nfs/dbraw/zinc/93/92/94/1018939294.db2.gz MAVCZVUIQWGCJX-WINXVSCGSA-N -1 0 311.323 -0.349 20 0 DBADRM O=S(=O)(NC[C@@H]1CC[C@H](O)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001607061431 1018940828 /nfs/dbraw/zinc/94/08/28/1018940828.db2.gz GFWSRVNWOQABKH-SFYZADRCSA-N -1 0 313.339 -0.101 20 0 DBADRM COc1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nn1C ZINC001607073645 1018942566 /nfs/dbraw/zinc/94/25/66/1018942566.db2.gz MQNCLTQVDCDTEI-IUCAKERBSA-N -1 0 322.321 -0.910 20 0 DBADRM COc1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)on1 ZINC001607068433 1018943864 /nfs/dbraw/zinc/94/38/64/1018943864.db2.gz VHPGNWCEWYFEEB-RKDXNWHRSA-N -1 0 323.305 -0.313 20 0 DBADRM COc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nn1C ZINC001607073646 1018944341 /nfs/dbraw/zinc/94/43/41/1018944341.db2.gz MQNCLTQVDCDTEI-RKDXNWHRSA-N -1 0 322.321 -0.910 20 0 DBADRM O[C@H](C[C@@H](O)c1ccccc1)Cn1cc(-c2nnn[n-]2)nn1 ZINC001607092343 1018957632 /nfs/dbraw/zinc/95/76/32/1018957632.db2.gz VXVYQZWKQZDXRH-ZYHUDNBSSA-N -1 0 301.310 -0.057 20 0 DBADRM O[C@H](C[C@H](O)c1ccccc1)Cn1cc(-c2nnn[n-]2)nn1 ZINC001607092342 1018962066 /nfs/dbraw/zinc/96/20/66/1018962066.db2.gz VXVYQZWKQZDXRH-PWSUYJOCSA-N -1 0 301.310 -0.057 20 0 DBADRM O=c1c(-c2nnn[n-]2)cnc2ncn(CCC[C@H]3CCOC3)n21 ZINC001607089580 1018962954 /nfs/dbraw/zinc/96/29/54/1018962954.db2.gz BBBPJFMPVFVGIY-VIFPVBQESA-N -1 0 316.325 -0.112 20 0 DBADRM c1cnnc(N2CCN(c3ccnc(-c4nnn[n-]4)n3)CC2)c1 ZINC001607135577 1018976779 /nfs/dbraw/zinc/97/67/79/1018976779.db2.gz LCICJRWNFHYCBB-UHFFFAOYSA-N -1 0 310.325 -0.227 20 0 DBADRM COc1cc(C(=O)[O-])ccc1CCNC(=O)Cn1cnc(N)n1 ZINC001607110148 1018977473 /nfs/dbraw/zinc/97/74/73/1018977473.db2.gz HBAINPPXHLTZTR-UHFFFAOYSA-N -1 0 319.321 -0.074 20 0 DBADRM COc1ccc(C(=O)NCCCC(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC001607206455 1018979903 /nfs/dbraw/zinc/97/99/03/1018979903.db2.gz FQGCRENELMBYSL-GFCCVEGCSA-N -1 0 324.333 -0.233 20 0 DBADRM COc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)nn1C ZINC001607171136 1018980258 /nfs/dbraw/zinc/98/02/58/1018980258.db2.gz KPUSRUUAZAQJMB-HTQZYQBOSA-N -1 0 310.310 -0.454 20 0 DBADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)N[C@H]2CCOC2=O)c1 ZINC001607214034 1018980673 /nfs/dbraw/zinc/98/06/73/1018980673.db2.gz UMPGFGNZMURKPV-VIFPVBQESA-N -1 0 315.303 -0.013 20 0 DBADRM COc1ccc(C(=O)NC[C@H](O)C(=O)[O-])cc1S(C)(=O)=O ZINC001607206655 1018981132 /nfs/dbraw/zinc/98/11/32/1018981132.db2.gz OXWOAJGYTMNXQJ-QMMMGPOBSA-N -1 0 317.319 -0.726 20 0 DBADRM COc1ccc(/C=C\C(=O)NCC(=O)NCC(=O)[O-])cc1O ZINC001607239842 1018981354 /nfs/dbraw/zinc/98/13/54/1018981354.db2.gz FIFAVOZUCZQCEW-HYXAFXHYSA-N -1 0 308.290 -0.269 20 0 DBADRM COc1ccc(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])nc1 ZINC001607241689 1018981766 /nfs/dbraw/zinc/98/17/66/1018981766.db2.gz DVEJKHGZADIEBB-NSHDSACASA-N -1 0 307.306 -0.566 20 0 DBADRM COc1cc(F)ccc1NC(=O)C(=O)NCCOCC(=O)[O-] ZINC001607169979 1018981872 /nfs/dbraw/zinc/98/18/72/1018981872.db2.gz JQHTXQNXPSQOQS-UHFFFAOYSA-N -1 0 314.269 -0.010 20 0 DBADRM COc1cc(OC)cc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])c1 ZINC001607186092 1018981978 /nfs/dbraw/zinc/98/19/78/1018981978.db2.gz DEAYGFSMJBCEEO-LBPRGKRZSA-N -1 0 319.335 -0.182 20 0 DBADRM COc1ccc(CNC(=O)CCNC(=O)CO)cc1C(=O)[O-] ZINC001607256027 1018982820 /nfs/dbraw/zinc/98/28/20/1018982820.db2.gz WXJOVUYFWZPVBH-UHFFFAOYSA-N -1 0 310.306 -0.492 20 0 DBADRM COc1ccc(CNC(=O)CN2CCNCC2=O)cc1C(=O)[O-] ZINC001607255168 1018983125 /nfs/dbraw/zinc/98/31/25/1018983125.db2.gz DMEAHALAHZGKLP-UHFFFAOYSA-N -1 0 321.333 -0.559 20 0 DBADRM COc1ccc2c(c1)C[C@H](C(=O)N1CC(O)(C(=O)[O-])C1)CO2 ZINC001607293351 1018983229 /nfs/dbraw/zinc/98/32/29/1018983229.db2.gz IFZRNPHZJRJKRM-JTQLQIEISA-N -1 0 307.302 -0.096 20 0 DBADRM COc1cccc(C[C@@H](O)C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC001607321727 1018984307 /nfs/dbraw/zinc/98/43/07/1018984307.db2.gz MKWWYQVYXQKMST-CHWSQXEVSA-N -1 0 309.318 -0.089 20 0 DBADRM COc1ccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)nc1 ZINC001607252158 1018984736 /nfs/dbraw/zinc/98/47/36/1018984736.db2.gz LOODVVFNFNKIEE-SECBINFHSA-N -1 0 307.306 -0.361 20 0 DBADRM COc1cccc(C[C@@H](NC(=O)[C@@H]2COC(=O)N2)C(=O)[O-])c1 ZINC001607318623 1018985099 /nfs/dbraw/zinc/98/50/99/1018985099.db2.gz FSVXGQCECFACHD-MNOVXSKESA-N -1 0 308.290 -0.085 20 0 DBADRM COc1ccc(CNC(=O)N[C@@H]2COC[C@@H]2O)cc1C(=O)[O-] ZINC001607257796 1018985473 /nfs/dbraw/zinc/98/54/73/1018985473.db2.gz KGKKWDLKUGEUDB-MNOVXSKESA-N -1 0 310.306 -0.048 20 0 DBADRM COc1cccc(C[C@@H](O)C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1 ZINC001607321158 1018985492 /nfs/dbraw/zinc/98/54/92/1018985492.db2.gz CRUXVNOZAHIDEI-SNVBAGLBSA-N -1 0 320.305 -0.018 20 0 DBADRM COc1ccccc1NCC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001607347184 1018986591 /nfs/dbraw/zinc/98/65/91/1018986591.db2.gz YTJLCLJRULIFMO-NSHDSACASA-N -1 0 321.333 -0.139 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)nc1 ZINC001607352765 1018986969 /nfs/dbraw/zinc/98/69/69/1018986969.db2.gz CCLZUYMTSIBUIO-GFCCVEGCSA-N -1 0 312.257 -0.551 20 0 DBADRM COc1ccnc(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])c1 ZINC001607350828 1018987222 /nfs/dbraw/zinc/98/72/22/1018987222.db2.gz GWDBRPGPQSEFKT-UHFFFAOYSA-N -1 0 312.307 -0.010 20 0 DBADRM COc1ccnc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001607350390 1018987361 /nfs/dbraw/zinc/98/73/61/1018987361.db2.gz ZOVRVPXHRPZZBS-GHMZBOCLSA-N -1 0 319.317 -0.249 20 0 DBADRM COc1cnc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nc1 ZINC001607352801 1018987594 /nfs/dbraw/zinc/98/75/94/1018987594.db2.gz TUWDHPNOZFSSDC-UWVGGRQHSA-N -1 0 320.305 -0.854 20 0 DBADRM COc1coc(CN2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cc1=O ZINC001607354918 1018988667 /nfs/dbraw/zinc/98/86/67/1018988667.db2.gz HAJKJKAMVUPHEK-QWRGUYRKSA-N -1 0 322.317 -0.331 20 0 DBADRM COc1cnc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)nc1 ZINC001607353143 1018988813 /nfs/dbraw/zinc/98/88/13/1018988813.db2.gz IQODGQSVFBKWDJ-ZDUSSCGKSA-N -1 0 308.294 -0.253 20 0 DBADRM CS(=O)(=O)[C@H]1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1 ZINC001607366107 1018989704 /nfs/dbraw/zinc/98/97/04/1018989704.db2.gz CCHAMQJFRCRYMF-QMMMGPOBSA-N -1 0 301.324 -0.773 20 0 DBADRM CS(=O)(=O)CC1(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)COC1 ZINC001607366204 1018989771 /nfs/dbraw/zinc/98/97/71/1018989771.db2.gz FQLUQDVHNNLILT-NSHDSACASA-N -1 0 309.315 -0.927 20 0 DBADRM COc1ncccc1C(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607360894 1018989955 /nfs/dbraw/zinc/98/99/55/1018989955.db2.gz MCFJCELRDWJUJB-MNOVXSKESA-N -1 0 319.317 -0.249 20 0 DBADRM CS(=O)(=O)C1(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])CC1 ZINC001607365814 1018990052 /nfs/dbraw/zinc/99/00/52/1018990052.db2.gz VPFGXJPZSOXNKM-MRVPVSSYSA-N -1 0 318.376 -0.168 20 0 DBADRM CS(=O)(=O)C1(CNS(=O)(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001607366364 1018990527 /nfs/dbraw/zinc/99/05/27/1018990527.db2.gz IRUBZLRGUWGVGN-UHFFFAOYSA-N -1 0 311.381 -0.510 20 0 DBADRM CS(=O)(=O)C1(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)CCC1 ZINC001607365882 1018990645 /nfs/dbraw/zinc/99/06/45/1018990645.db2.gz XWVILDHCFFKHHR-UHFFFAOYSA-N -1 0 302.312 -0.662 20 0 DBADRM CS(=O)(=O)C1(CNS(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC001607366106 1018991009 /nfs/dbraw/zinc/99/10/09/1018991009.db2.gz DIEWFASKYAWACC-UHFFFAOYSA-N -1 0 323.348 -0.167 20 0 DBADRM COc1nn(C)cc1CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001607362473 1018991740 /nfs/dbraw/zinc/99/17/40/1018991740.db2.gz RQLAHPWNLAAIIS-UHFFFAOYSA-N -1 0 314.323 -0.067 20 0 DBADRM CS(=O)(=O)CC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001607365992 1018991968 /nfs/dbraw/zinc/99/19/68/1018991968.db2.gz BHNPMTCHXVEYRW-UHFFFAOYSA-N -1 0 304.324 -0.747 20 0 DBADRM COc1nn(C)cc1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001607362388 1018992049 /nfs/dbraw/zinc/99/20/49/1018992049.db2.gz NFBVIDVSANPZLK-MRVPVSSYSA-N -1 0 310.310 -0.310 20 0 DBADRM CS(=O)(=O)CC(=O)OCC(=O)Nc1ccsc1C(=O)[O-] ZINC001607366508 1018993586 /nfs/dbraw/zinc/99/35/86/1018993586.db2.gz LDESXTISRVFWBF-UHFFFAOYSA-N -1 0 321.332 -0.027 20 0 DBADRM CS(=O)(=O)CCNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001607369875 1018993760 /nfs/dbraw/zinc/99/37/60/1018993760.db2.gz AISVZKIBVDSCHQ-NSHDSACASA-N -1 0 319.339 -0.954 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(C(=O)C23CC(C(=O)[O-])(C2)C3)CCO1 ZINC001607369587 1018994581 /nfs/dbraw/zinc/99/45/81/1018994581.db2.gz ISGPNHDAFDVOEC-ALXWSUNGSA-N -1 0 317.363 -0.487 20 0 DBADRM CS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001607366476 1018994744 /nfs/dbraw/zinc/99/47/44/1018994744.db2.gz GMVOSWFGHJMUOY-QMMMGPOBSA-N -1 0 323.348 -0.215 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N[C@H](C(=O)[O-])c2ccsc2)C1 ZINC001607371457 1018995421 /nfs/dbraw/zinc/99/54/21/1018995421.db2.gz UTVNJHMASYJRDP-VIFPVBQESA-N -1 0 318.376 -0.119 20 0 DBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)NCC2(C(=O)[O-])CC2)C1 ZINC001607373444 1018995889 /nfs/dbraw/zinc/99/58/89/1018995889.db2.gz YJPZAVNHFMLQDR-SECBINFHSA-N -1 0 319.383 -0.568 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607374486 1018996391 /nfs/dbraw/zinc/99/63/91/1018996391.db2.gz DDCWBAOQKPLIEZ-OPRDCNLKSA-N -1 0 319.383 -0.712 20 0 DBADRM CS(=O)(=O)Cc1nc(C(=O)NC2(CC(=O)[O-])CC2)co1 ZINC001607371070 1018996600 /nfs/dbraw/zinc/99/66/00/1018996600.db2.gz VYLTZDRYMVXEQX-UHFFFAOYSA-N -1 0 302.308 -0.044 20 0 DBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)NCC2(C(=O)[O-])CC2)C1 ZINC001607373445 1018996934 /nfs/dbraw/zinc/99/69/34/1018996934.db2.gz YJPZAVNHFMLQDR-VIFPVBQESA-N -1 0 319.383 -0.568 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)C1 ZINC001607371456 1018997224 /nfs/dbraw/zinc/99/72/24/1018997224.db2.gz UTVNJHMASYJRDP-SECBINFHSA-N -1 0 318.376 -0.119 20 0 DBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001607374660 1018997407 /nfs/dbraw/zinc/99/74/07/1018997407.db2.gz IHDJGKUYWQOMOT-AEJSXWLSSA-N -1 0 304.368 -0.363 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CSC1CC1)C(=O)[O-] ZINC001607377294 1018998953 /nfs/dbraw/zinc/99/89/53/1018998953.db2.gz HHLVFTSINHVLFK-GZMMTYOYSA-N -1 0 307.393 -0.114 20 0 DBADRM C[S@@](=O)C1(CN2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)CCC1 ZINC001607384178 1018999502 /nfs/dbraw/zinc/99/95/02/1018999502.db2.gz CGBJWBIKDBAVAA-LKNMXIKNSA-N -1 0 314.363 -0.071 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)/C=C\[C@H]1CCOC1)C(=O)[O-] ZINC001607377844 1019000325 /nfs/dbraw/zinc/00/03/25/1019000325.db2.gz SWVNDFTZCSXJGM-YPPJITOCSA-N -1 0 317.363 -0.417 20 0 DBADRM CS[C@H](CO)[C@@H](C)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001607390563 1019001552 /nfs/dbraw/zinc/00/15/52/1019001552.db2.gz VYWNIARTDOVQOW-ZYUZMQFOSA-N -1 0 306.384 -0.112 20 0 DBADRM CSC[C@](C)(O)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001607392963 1019003351 /nfs/dbraw/zinc/00/33/51/1019003351.db2.gz QCOXHEUFFOMMQB-TVQRCGJNSA-N -1 0 318.395 -0.460 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)C[C@@H]1CCOC1 ZINC001607419372 1019003871 /nfs/dbraw/zinc/00/38/71/1019003871.db2.gz XXJYDCDONUFJCD-UWVGGRQHSA-N -1 0 308.338 -0.060 20 0 DBADRM C[C@@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)C1CCOCC1 ZINC001607418726 1019003880 /nfs/dbraw/zinc/00/38/80/1019003880.db2.gz IAMHSNCPJYPHJF-VIFPVBQESA-N -1 0 308.338 -0.060 20 0 DBADRM CSCc1nc(CNC(=O)Cn2ccc(C(=O)[O-])n2)n[nH]1 ZINC001607401843 1019005190 /nfs/dbraw/zinc/00/51/90/1019005190.db2.gz MRPQTYXXMOEQGB-UHFFFAOYSA-N -1 0 310.339 -0.121 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCn2cccc2)C[C@@H](C(=O)[O-])O1 ZINC001607427920 1019006600 /nfs/dbraw/zinc/00/66/00/1019006600.db2.gz NJPKKOJNEAJRLG-MNOVXSKESA-N -1 0 309.322 -0.695 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC=CO2)C[C@@H](C(=O)[O-])O1 ZINC001607428437 1019007050 /nfs/dbraw/zinc/00/70/50/1019007050.db2.gz KAGNOTCZFQWGFT-VWYCJHECSA-N -1 0 312.322 -0.504 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(C(=O)[O-])cc2)CC[NH2+]1 ZINC001607427558 1019007306 /nfs/dbraw/zinc/00/73/06/1019007306.db2.gz DNHNFCDLBGEHTC-LLVKDONJSA-N -1 0 319.361 -0.136 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cn(C)nn2)C[C@H]1CC(=O)[O-] ZINC001607428745 1019008125 /nfs/dbraw/zinc/00/81/25/1019008125.db2.gz MMORWIHETLZHOT-NXEZZACHSA-N -1 0 323.353 -0.657 20 0 DBADRM C[C@@H]1CN(Cc2cc(C(=O)[O-])no2)CCN1S(C)(=O)=O ZINC001607437802 1019009149 /nfs/dbraw/zinc/00/91/49/1019009149.db2.gz CXGLSYFAYVERLF-MRVPVSSYSA-N -1 0 303.340 -0.162 20 0 DBADRM C[C@@H]1CN(C(=O)NCCCCS(C)(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC001607432589 1019009542 /nfs/dbraw/zinc/00/95/42/1019009542.db2.gz MGFGATAKZKISHK-ZJUUUORDSA-N -1 0 322.383 -0.305 20 0 DBADRM C[C@@H]1CN(Cc2nnc3c(=O)n(C)ccn23)C[C@H]1CC(=O)[O-] ZINC001607438893 1019010111 /nfs/dbraw/zinc/01/01/11/1019010111.db2.gz GCKKMMJFLITFDA-NXEZZACHSA-N -1 0 305.338 -0.029 20 0 DBADRM C[C@@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)C[C@H]1CC(=O)[O-] ZINC001607436429 1019010433 /nfs/dbraw/zinc/01/04/33/1019010433.db2.gz ZMIXOMWKBMZXHR-NXEZZACHSA-N -1 0 323.353 -0.451 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CC2(O)CCC2)C[C@H]1CC(=O)[O-] ZINC001607429095 1019010743 /nfs/dbraw/zinc/01/07/43/1019010743.db2.gz VRKYYQJWSGWNLT-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1CN(C(=O)/C=C2/SCC(=O)N2C)C[C@@H](C(=O)[O-])O1 ZINC001607430511 1019010834 /nfs/dbraw/zinc/01/08/34/1019010834.db2.gz DWPFMAQLQGZQKX-JHMGFAKRSA-N -1 0 300.336 -0.267 20 0 DBADRM C[C@@H]1[C@@H](NC(=O)CC(N)=O)CCN1c1ncc(C(=O)[O-])cn1 ZINC001607447008 1019012081 /nfs/dbraw/zinc/01/20/81/1019012081.db2.gz RVZQBRSWAUHMNZ-APPZFPTMSA-N -1 0 307.310 -0.866 20 0 DBADRM C[C@@H]1CN(c2nnc([C@]3(C)C[C@@H](O)CN3C)n2C)C[C@H]1C(=O)[O-] ZINC001607440109 1019012476 /nfs/dbraw/zinc/01/24/76/1019012476.db2.gz BMWTWWSCQRFFQA-CZFOOCMKSA-N -1 0 323.397 -0.116 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCS(=O)(=O)C2)O[C@H]1C(=O)[O-] ZINC001607442900 1019012780 /nfs/dbraw/zinc/01/27/80/1019012780.db2.gz PQSQKJOZJYNFJM-LMLFDSFASA-N -1 0 319.379 -0.194 20 0 DBADRM C[C@@H]1CN(c2nnnn2CCOCC2CC2)C[C@@H](C(=O)[O-])O1 ZINC001607441909 1019013922 /nfs/dbraw/zinc/01/39/22/1019013922.db2.gz ZXLMWIXIXFGBKY-KOLCDFICSA-N -1 0 311.342 -0.222 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)Cc1ccn(C)n1 ZINC001607453338 1019014448 /nfs/dbraw/zinc/01/44/48/1019014448.db2.gz AGVRMTLXJHSOSF-SECBINFHSA-N -1 0 318.337 -0.511 20 0 DBADRM C[C@H](CNc1ccnc(C(=O)[O-])n1)NC(=O)Cn1cccn1 ZINC001607453585 1019015061 /nfs/dbraw/zinc/01/50/61/1019015061.db2.gz HFPVYDSCRIBRHD-SECBINFHSA-N -1 0 304.310 -0.590 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-] ZINC001607458650 1019015541 /nfs/dbraw/zinc/01/55/41/1019015541.db2.gz OWQRDJWZKUTGMQ-PSHIVXEYSA-N -1 0 311.338 -0.561 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC001607452728 1019015902 /nfs/dbraw/zinc/01/59/02/1019015902.db2.gz VXBCTHXFNAOSIR-MRVPVSSYSA-N -1 0 318.355 -0.088 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1CO[C@@H](C2CC2)C1)C(=O)[O-] ZINC001607458401 1019016514 /nfs/dbraw/zinc/01/65/14/1019016514.db2.gz GBHSWOXBPAQAOK-MPKXCIJOSA-N -1 0 313.354 -0.169 20 0 DBADRM C[C@H](NC(N)=O)C(=O)N1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1 ZINC001607460945 1019017138 /nfs/dbraw/zinc/01/71/38/1019017138.db2.gz KEEOFOFXSNGIQR-XWLWVQCSSA-N -1 0 313.354 -0.086 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC[C@@H](CO)CC1)C(=O)[O-] ZINC001607459341 1019017982 /nfs/dbraw/zinc/01/79/82/1019017982.db2.gz ZMLWDALMTUGKME-GARJFASQSA-N -1 0 315.370 -0.232 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](O)[C@@H](F)C2)CC[C@H]1C(=O)[O-] ZINC001607467213 1019018040 /nfs/dbraw/zinc/01/80/40/1019018040.db2.gz RCZKAEOYZDGYPV-ZRUFSTJUSA-N -1 0 316.329 -0.513 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)[C@H]1COC(C)(C)C1)C(=O)[O-] ZINC001607459554 1019018115 /nfs/dbraw/zinc/01/81/15/1019018115.db2.gz FHOGBLUPLXVIHG-XHNCKOQMSA-N -1 0 322.383 -0.549 20 0 DBADRM C[C@H](O)CN1CCN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1 ZINC001607462172 1019018174 /nfs/dbraw/zinc/01/81/74/1019018174.db2.gz QDVCKNDRDFMGTG-OXIQGZBJSA-N -1 0 311.382 -0.052 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@H](O)[C@H](F)C2)CC[C@H]1C(=O)[O-] ZINC001607467212 1019018837 /nfs/dbraw/zinc/01/88/37/1019018837.db2.gz RCZKAEOYZDGYPV-ZDCRXTMVSA-N -1 0 316.329 -0.513 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cccnc1N(C)C)C(=O)[O-] ZINC001607460181 1019018978 /nfs/dbraw/zinc/01/89/78/1019018978.db2.gz YAYMSJJBOPDULT-IUCAKERBSA-N -1 0 308.338 -0.145 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC(C2CC2)C2CC2)C[C@@H](C(=O)[O-])O1 ZINC001607467588 1019020041 /nfs/dbraw/zinc/02/00/41/1019020041.db2.gz BFAXLRHGJGOQNA-KWQFWETISA-N -1 0 310.350 -0.008 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCSC2)C[C@@H](C(=O)[O-])O1 ZINC001607467899 1019020760 /nfs/dbraw/zinc/02/07/60/1019020760.db2.gz OTZXJCBWQGJGMA-AEJSXWLSSA-N -1 0 316.379 -0.444 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC001607467805 1019021070 /nfs/dbraw/zinc/02/10/70/1019021070.db2.gz KTRBHRPYSHKYSV-YTWAJWBKSA-N -1 0 314.338 -0.677 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](O)CC2)C[C@]1(C)C(=O)[O-] ZINC001607467354 1019021246 /nfs/dbraw/zinc/02/12/46/1019021246.db2.gz UPIIQXAJOWKKJS-VEABSNGSSA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CC2(F)F)C[C@@H](C(=O)[O-])O1 ZINC001607468189 1019021316 /nfs/dbraw/zinc/02/13/16/1019021316.db2.gz SFCHAFVHEPYASI-YIZRAAEISA-N -1 0 320.292 -0.152 20 0 DBADRM Cc1[nH]c(C(=O)NC[C@H](O)Cn2ccnn2)c(C)c1C(=O)[O-] ZINC001607491209 1019022184 /nfs/dbraw/zinc/02/21/84/1019022184.db2.gz RUFRSMMHXHLKAC-VIFPVBQESA-N -1 0 307.310 -0.288 20 0 DBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC(C)(C(=O)[O-])C1 ZINC001607498185 1019022388 /nfs/dbraw/zinc/02/23/88/1019022388.db2.gz DAJIMNMWPIAXLO-UHFFFAOYSA-N -1 0 304.306 -0.193 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001607484051 1019022408 /nfs/dbraw/zinc/02/24/08/1019022408.db2.gz RTTOWRVYLOVADA-MRVPVSSYSA-N -1 0 311.294 -0.559 20 0 DBADRM C[C@H]1CN(c2nnnn2CC2CCOCC2)C[C@@H](C(=O)[O-])O1 ZINC001607479454 1019024226 /nfs/dbraw/zinc/02/42/26/1019024226.db2.gz LLWJYKMHDSKNIT-ONGXEEELSA-N -1 0 311.342 -0.222 20 0 DBADRM Cc1c(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cnn1C ZINC001607504208 1019024893 /nfs/dbraw/zinc/02/48/93/1019024893.db2.gz JVVDTPACKQFBOS-NXEZZACHSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1c(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)ccn1C ZINC001607504404 1019024930 /nfs/dbraw/zinc/02/49/30/1019024930.db2.gz MCMZEDDHKGJVBT-VXGBXAGGSA-N -1 0 305.334 -0.005 20 0 DBADRM Cc1c(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cnn1C ZINC001607504211 1019025042 /nfs/dbraw/zinc/02/50/42/1019025042.db2.gz JVVDTPACKQFBOS-ZJUUUORDSA-N -1 0 306.322 -0.610 20 0 DBADRM Cc1n[nH]cc1S(=O)(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001607500188 1019025116 /nfs/dbraw/zinc/02/51/16/1019025116.db2.gz NHXGPROIZQZXFJ-VIFPVBQESA-N -1 0 302.356 -0.645 20 0 DBADRM Cc1c(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cnn1C ZINC001607507531 1019025248 /nfs/dbraw/zinc/02/52/48/1019025248.db2.gz TYKWWQWMQUNXPC-OAHLLOKOSA-N -1 0 322.365 -0.270 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)C(=O)N[C@@H]2CO[C@H](C)C2)n1C ZINC001607512129 1019025651 /nfs/dbraw/zinc/02/56/51/1019025651.db2.gz SYMMJVZJQITQEE-SCZZXKLOSA-N -1 0 323.349 -0.058 20 0 DBADRM Cc1c(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)nnn1-c1cnn(C)c1 ZINC001607506469 1019025923 /nfs/dbraw/zinc/02/59/23/1019025923.db2.gz ZGWAUVSRWHJCTC-URLYPYJESA-N -1 0 316.321 -0.288 20 0 DBADRM Cc1c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)nnn1C ZINC001607509756 1019026591 /nfs/dbraw/zinc/02/65/91/1019026591.db2.gz IULSXJBUPQQWFX-UTINFBMNSA-N -1 0 321.337 -0.779 20 0 DBADRM Cc1c(C(=O)[O-])cc(CNC(=O)CN2CCOCC2=O)n1C ZINC001607513117 1019027124 /nfs/dbraw/zinc/02/71/24/1019027124.db2.gz MIIPEYPMCBYXJX-UHFFFAOYSA-N -1 0 309.322 -0.493 20 0 DBADRM Cc1c(NC(=O)C(=O)NCc2cccnc2)cnn1CC(=O)[O-] ZINC001607536257 1019027916 /nfs/dbraw/zinc/02/79/16/1019027916.db2.gz FCXXWJDMOVPQQW-UHFFFAOYSA-N -1 0 317.305 -0.074 20 0 DBADRM Cc1c(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cnn1C ZINC001607527971 1019028552 /nfs/dbraw/zinc/02/85/52/1019028552.db2.gz PWPFQYXKXDGQOG-UHFFFAOYSA-N -1 0 308.338 -0.332 20 0 DBADRM Cc1c(C(=O)N(C)C)occ1S(=O)(=O)N[C@H](CF)C(=O)[O-] ZINC001607553769 1019029166 /nfs/dbraw/zinc/02/91/66/1019029166.db2.gz BLPFGMWQIHHHLP-SSDOTTSWSA-N -1 0 322.314 -0.009 20 0 DBADRM Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001607554925 1019029262 /nfs/dbraw/zinc/02/92/62/1019029262.db2.gz CGQQUIYBNNZWEZ-VHSXEESVSA-N -1 0 306.322 -0.277 20 0 DBADRM Cc1c(Cl)c(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])nn1C ZINC001607528680 1019029632 /nfs/dbraw/zinc/02/96/32/1019029632.db2.gz LGIXXCFCYSXWBJ-SSDOTTSWSA-N -1 0 312.717 -0.143 20 0 DBADRM Cc1c(NC(=O)C(=O)N2CCC(CO)CC2)cnn1CC(=O)[O-] ZINC001607535393 1019029664 /nfs/dbraw/zinc/02/96/64/1019029664.db2.gz QIZKAVSLWGKSRM-UHFFFAOYSA-N -1 0 324.337 -0.554 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)[nH]n1 ZINC001607581486 1019030796 /nfs/dbraw/zinc/03/07/96/1019030796.db2.gz OWYSIIVIRRXXQL-RGOKHQFPSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cnn1 ZINC001607579024 1019030892 /nfs/dbraw/zinc/03/08/92/1019030892.db2.gz CMZSPVFNNQMAPR-NEPJUHHUSA-N -1 0 318.333 -0.306 20 0 DBADRM Cc1c[nH]nc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607556598 1019031689 /nfs/dbraw/zinc/03/16/89/1019031689.db2.gz QRGVSXQXSLNDHA-ZYUZMQFOSA-N -1 0 306.322 -0.184 20 0 DBADRM Cc1cc(C(=O)N[C@@H](CO)CN2CCOCC2)oc1C(=O)[O-] ZINC001607576469 1019031891 /nfs/dbraw/zinc/03/18/91/1019031891.db2.gz SYJNEPTZFOCWRZ-SNVBAGLBSA-N -1 0 312.322 -0.291 20 0 DBADRM Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)on1 ZINC001607569486 1019032539 /nfs/dbraw/zinc/03/25/39/1019032539.db2.gz IQTYJCKUBFABPO-RKDXNWHRSA-N -1 0 323.305 -0.993 20 0 DBADRM Cc1cc(C(=O)N[C@H](CO)CN2CCOCC2)oc1C(=O)[O-] ZINC001607576467 1019032816 /nfs/dbraw/zinc/03/28/16/1019032816.db2.gz SYJNEPTZFOCWRZ-JTQLQIEISA-N -1 0 312.322 -0.291 20 0 DBADRM Cc1cc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)c(C)n1NC(N)=O ZINC001607578056 1019032911 /nfs/dbraw/zinc/03/29/11/1019032911.db2.gz IFORBKQOZSBGEG-CQSZACIVSA-N -1 0 324.337 -0.052 20 0 DBADRM Cc1cc(C(=O)O[C@@H]2COC[C@H]2n2cc(C(=O)[O-])nn2)n(C)n1 ZINC001607606412 1019034311 /nfs/dbraw/zinc/03/43/11/1019034311.db2.gz UPTJTTLOVLFWJL-GHMZBOCLSA-N -1 0 321.293 -0.185 20 0 DBADRM Cc1cc(C)n(CCC(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])n1 ZINC001607629545 1019035488 /nfs/dbraw/zinc/03/54/88/1019035488.db2.gz DEVRIHLBIZJGIU-NSHDSACASA-N -1 0 308.338 -0.356 20 0 DBADRM Cc1cc(N(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n2ncnc2n1 ZINC001607669269 1019036396 /nfs/dbraw/zinc/03/63/96/1019036396.db2.gz KHDQRTMCNNDHLJ-ZJUUUORDSA-N -1 0 318.337 -0.294 20 0 DBADRM Cc1cc(CS(=O)(=O)NCCn2cc(C(=O)[O-])nn2)on1 ZINC001607653977 1019036495 /nfs/dbraw/zinc/03/64/95/1019036495.db2.gz WWCMIAOVYQJAKX-UHFFFAOYSA-N -1 0 315.311 -0.608 20 0 DBADRM Cc1cc(NC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])n(C)n1 ZINC001607682593 1019036863 /nfs/dbraw/zinc/03/68/63/1019036863.db2.gz LODUGQZSBSGKAZ-VIFPVBQESA-N -1 0 309.326 -0.074 20 0 DBADRM Cc1cc(N2CCC(O)(C(=O)[O-])CC2)nc(S(C)(=O)=O)n1 ZINC001607669822 1019037260 /nfs/dbraw/zinc/03/72/60/1019037260.db2.gz PFMXLYSRCINZEE-UHFFFAOYSA-N -1 0 315.351 -0.396 20 0 DBADRM Cc1cc(Cc2nnc(N3CCO[C@H](C(=O)[O-])C3)n2C)n[nH]1 ZINC001607654089 1019037311 /nfs/dbraw/zinc/03/73/11/1019037311.db2.gz ZEQAWUQBDGJKII-JTQLQIEISA-N -1 0 306.326 -0.273 20 0 DBADRM Cc1cc(NC(=O)C(=O)N[C@@H](CO)CCF)c(C(=O)[O-])[nH]1 ZINC001607671158 1019037536 /nfs/dbraw/zinc/03/75/36/1019037536.db2.gz XEJOPBICROOVKX-SSDOTTSWSA-N -1 0 301.274 -0.203 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001607699240 1019037553 /nfs/dbraw/zinc/03/75/53/1019037553.db2.gz IJQJUWJEYFHJCG-PWSUYJOCSA-N -1 0 324.333 -0.284 20 0 DBADRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N1CCNC(=O)C1 ZINC001607659084 1019037789 /nfs/dbraw/zinc/03/77/89/1019037789.db2.gz DEQWWKWJQMNDSC-UHFFFAOYSA-N -1 0 316.310 -0.047 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)Cc2cn(C)nn2)c(C(=O)[O-])[nH]1 ZINC001607671478 1019037929 /nfs/dbraw/zinc/03/79/29/1019037929.db2.gz RYCVSCQNZUCTMD-UHFFFAOYSA-N -1 0 320.309 -0.253 20 0 DBADRM Cc1cc(Cn2nnnc2N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)ncn1 ZINC001607658004 1019037949 /nfs/dbraw/zinc/03/79/49/1019037949.db2.gz MVJSBRNNPICXOO-URLYPYJESA-N -1 0 301.310 -0.413 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2CCNC(=O)CC2)ccc1C(=O)[O-] ZINC001607670925 1019037968 /nfs/dbraw/zinc/03/79/68/1019037968.db2.gz REBOAOBQFAXLPO-UHFFFAOYSA-N -1 0 319.317 -0.020 20 0 DBADRM Cc1cc(NC(=O)C(=O)NC2(C(N)=O)CC2)ccc1C(=O)[O-] ZINC001607672241 1019038025 /nfs/dbraw/zinc/03/80/25/1019038025.db2.gz JBAYSARAWXLRSA-UHFFFAOYSA-N -1 0 305.290 -0.234 20 0 DBADRM Cc1cc(S(=O)(=O)N(C)[C@@H]2CCNC2=O)oc1C(=O)[O-] ZINC001607703230 1019038729 /nfs/dbraw/zinc/03/87/29/1019038729.db2.gz GPCFETGULMTSDM-SSDOTTSWSA-N -1 0 302.308 -0.205 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](C(N)=O)C1 ZINC001607738558 1019038766 /nfs/dbraw/zinc/03/87/66/1019038766.db2.gz OPDVVUICSAYHHF-SNVBAGLBSA-N -1 0 319.317 -0.034 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCNC1=O ZINC001607737000 1019038840 /nfs/dbraw/zinc/03/88/40/1019038840.db2.gz BOMFMXWKUVSGBG-LLVKDONJSA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@@H]2CCCNC2=O)c1[O-] ZINC001502376496 1019039265 /nfs/dbraw/zinc/03/92/65/1019039265.db2.gz MVIFUHDIJPLUIB-VXNVDRBHSA-N -1 0 323.353 -0.816 20 0 DBADRM Cc1cc[nH]c1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607713669 1019039999 /nfs/dbraw/zinc/03/99/99/1019039999.db2.gz LGEXVVCSAISZFA-ZJUUUORDSA-N -1 0 321.333 -0.653 20 0 DBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC001607738358 1019040308 /nfs/dbraw/zinc/04/03/08/1019040308.db2.gz RNAXZOYTTHJIDQ-SECBINFHSA-N -1 0 319.317 -0.021 20 0 DBADRM Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H](CF)C(=O)[O-] ZINC001607710128 1019040474 /nfs/dbraw/zinc/04/04/74/1019040474.db2.gz FUZBMCUPFCATOE-YFKPBYRVSA-N -1 0 310.328 -0.144 20 0 DBADRM Cc1cccc2c(=O)n(CC(=O)N[C@@](C)(CO)C(=O)[O-])cnc12 ZINC001607866517 1019041659 /nfs/dbraw/zinc/04/16/59/1019041659.db2.gz UZDQGEOYPOSNQW-HNNXBMFYSA-N -1 0 319.317 -0.343 20 0 DBADRM Cc1cccc(C[C@@H](CNC(=O)Cn2nnc(N)n2)C(=O)[O-])c1 ZINC001607848397 1019043017 /nfs/dbraw/zinc/04/30/17/1019043017.db2.gz ACEYHPQIMPYALJ-NSHDSACASA-N -1 0 318.337 -0.377 20 0 DBADRM Cc1ccc(CCC(=O)NCC(=O)NC[C@H](O)CC(=O)[O-])cc1 ZINC001607774365 1019043337 /nfs/dbraw/zinc/04/33/37/1019043337.db2.gz MICJHLXXAYPBQL-CYBMUJFWSA-N -1 0 322.361 -0.004 20 0 DBADRM Cc1ccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)c(C(=O)[O-])c1 ZINC001607796218 1019043472 /nfs/dbraw/zinc/04/34/72/1019043472.db2.gz QULDXEJZSWHOOA-QWRGUYRKSA-N -1 0 308.290 -0.804 20 0 DBADRM Cc1ccoc1C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001607898955 1019044772 /nfs/dbraw/zinc/04/47/72/1019044772.db2.gz JACXBPBFTISMON-IUCAKERBSA-N -1 0 321.289 -0.192 20 0 DBADRM Cc1ccnn1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607898899 1019044995 /nfs/dbraw/zinc/04/49/95/1019044995.db2.gz HRPQRJDNIPHISD-USZNOCQGSA-N -1 0 320.349 -0.324 20 0 DBADRM Cc1ccnn1CC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001607898611 1019045053 /nfs/dbraw/zinc/04/50/53/1019045053.db2.gz SHFZCNFPARWFFF-RYUDHWBXSA-N -1 0 320.349 -0.417 20 0 DBADRM Cc1cn2nnc(C(=O)N3CCC[C@@H](O)[C@H]3C(=O)[O-])c2c(=O)[nH]1 ZINC001607903056 1019045804 /nfs/dbraw/zinc/04/58/04/1019045804.db2.gz MPZJQDQTNHZLQQ-APPZFPTMSA-N -1 0 321.293 -0.812 20 0 DBADRM Cc1ccncc1NC(=O)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001607898567 1019046316 /nfs/dbraw/zinc/04/63/16/1019046316.db2.gz PZTHMMJWXWRRME-UHFFFAOYSA-N -1 0 307.306 -0.233 20 0 DBADRM Cc1ccn(C[C@](C)(O)C(=O)NC2CC(C(=O)[O-])C2)c(=O)c1 ZINC001607891505 1019046592 /nfs/dbraw/zinc/04/65/92/1019046592.db2.gz FWCDSFXMYGNVCT-NWHVRFAMSA-N -1 0 308.334 -0.113 20 0 DBADRM Cc1ccnn1CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001607898609 1019046747 /nfs/dbraw/zinc/04/67/47/1019046747.db2.gz SHFZCNFPARWFFF-NEPJUHHUSA-N -1 0 320.349 -0.417 20 0 DBADRM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001607890639 1019046978 /nfs/dbraw/zinc/04/69/78/1019046978.db2.gz HRYDEDGZPKDUIL-AOOOYVTPSA-N -1 0 321.333 -0.046 20 0 DBADRM Cc1ccccc1[C@@H](CC(=O)N1CC(O)(C(=O)[O-])C1)NC(N)=O ZINC001607874964 1019047000 /nfs/dbraw/zinc/04/70/00/1019047000.db2.gz DLVHZFIYECXRDX-LLVKDONJSA-N -1 0 321.333 -0.248 20 0 DBADRM Cc1cnccc1CNC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001607912214 1019047450 /nfs/dbraw/zinc/04/74/50/1019047450.db2.gz FMRLMKKOSRFGNT-JQWIXIFHSA-N -1 0 321.333 -0.293 20 0 DBADRM Cc1cnc2c(C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)cnn2c1 ZINC001607909040 1019047544 /nfs/dbraw/zinc/04/75/44/1019047544.db2.gz DJDYYLSRLFKMNF-VHSXEESVSA-N -1 0 304.306 -0.055 20 0 DBADRM Cc1cnc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])nc1 ZINC001607906486 1019047562 /nfs/dbraw/zinc/04/75/62/1019047562.db2.gz BUITXUPZEVJHNZ-UWVGGRQHSA-N -1 0 319.321 -0.636 20 0 DBADRM Cc1cnn(CC(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001607916310 1019048082 /nfs/dbraw/zinc/04/80/82/1019048082.db2.gz MARREGOQDNHNGV-WDEREUQCSA-N -1 0 306.322 -0.761 20 0 DBADRM Cc1cncn1CC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001607915316 1019048889 /nfs/dbraw/zinc/04/88/89/1019048889.db2.gz VOUQIFJWQVRELA-UHFFFAOYSA-N -1 0 315.351 -0.660 20 0 DBADRM Cc1cncc(CNC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC001607909938 1019048920 /nfs/dbraw/zinc/04/89/20/1019048920.db2.gz NQGBVUAAXFASEZ-LBPRGKRZSA-N -1 0 321.333 -0.292 20 0 DBADRM Cc1cnc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cn1 ZINC001607905435 1019048987 /nfs/dbraw/zinc/04/89/87/1019048987.db2.gz NUGAIBVVBFMBHP-NXEZZACHSA-N -1 0 318.333 -0.116 20 0 DBADRM Cc1cncc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1 ZINC001607911215 1019049006 /nfs/dbraw/zinc/04/90/06/1019049006.db2.gz CNYMGLPQNKCPEQ-ZJUUUORDSA-N -1 0 300.336 -0.154 20 0 DBADRM Cc1cnccc1CNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001607912215 1019049473 /nfs/dbraw/zinc/04/94/73/1019049473.db2.gz FMRLMKKOSRFGNT-PWSUYJOCSA-N -1 0 321.333 -0.293 20 0 DBADRM Cc1cnc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])s1 ZINC001607910719 1019049768 /nfs/dbraw/zinc/04/97/68/1019049768.db2.gz TWZSFUAXUVJGPY-HTQZYQBOSA-N -1 0 313.335 -0.173 20 0 DBADRM Cc1cncn1CC(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607914548 1019049887 /nfs/dbraw/zinc/04/98/87/1019049887.db2.gz BQJRPYAQQBOPQI-NWDGAFQWSA-N -1 0 320.349 -0.513 20 0 DBADRM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@@H](O)CN1CCCC1=O ZINC001607920650 1019050555 /nfs/dbraw/zinc/05/05/55/1019050555.db2.gz XTHOWEWEGMGTOF-SNVBAGLBSA-N -1 0 324.333 -0.072 20 0 DBADRM Cc1coc(C(=O)NCCN(CCO)C(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC001607918267 1019050607 /nfs/dbraw/zinc/05/06/07/1019050607.db2.gz NVAZJJUGLYTPLB-WDEREUQCSA-N -1 0 324.333 -0.141 20 0 DBADRM Cc1conc1NC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001607923627 1019050784 /nfs/dbraw/zinc/05/07/84/1019050784.db2.gz YPFXLYPLHKOGMQ-VIFPVBQESA-N -1 0 311.294 -0.394 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2CC[C@@](F)(CO)C2)c1C(=O)[O-] ZINC001607936882 1019051966 /nfs/dbraw/zinc/05/19/66/1019051966.db2.gz MIAUUPORKXQOGJ-JTQLQIEISA-N -1 0 307.303 -0.489 20 0 DBADRM Cc1nnc(CC(=O)N(C)CCNc2ncc(C(=O)[O-])cn2)[nH]1 ZINC001607936330 1019052161 /nfs/dbraw/zinc/05/21/61/1019052161.db2.gz CNEHSTDRTJGEDU-UHFFFAOYSA-N -1 0 319.325 -0.286 20 0 DBADRM Cc1conc1CS(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001607922888 1019052290 /nfs/dbraw/zinc/05/22/90/1019052290.db2.gz OJMPCZGDJNPOCU-BDAKNGLRSA-N -1 0 304.324 -0.420 20 0 DBADRM Cc1nnc(CN2CCN(c3ncncc3C(=O)[O-])CC2)[nH]1 ZINC001607956196 1019053298 /nfs/dbraw/zinc/05/32/98/1019053298.db2.gz OYJQRZMDMJJFDZ-UHFFFAOYSA-N -1 0 303.326 -0.076 20 0 DBADRM Cc1nn[nH]c1C(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001607940365 1019053404 /nfs/dbraw/zinc/05/34/04/1019053404.db2.gz DVTWASXSXLWUEN-MRVPVSSYSA-N -1 0 317.309 -0.390 20 0 DBADRM Cc1nnc([C@H]2CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C2)[nH]1 ZINC001607952536 1019054102 /nfs/dbraw/zinc/05/41/02/1019054102.db2.gz VHIHLWIPYFHXAJ-APPZFPTMSA-N -1 0 302.356 -0.047 20 0 DBADRM Cc1nnc([C@H]2CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C2)[nH]1 ZINC001607952578 1019055220 /nfs/dbraw/zinc/05/52/20/1019055220.db2.gz VHIHLWIPYFHXAJ-CBAPKCEASA-N -1 0 302.356 -0.047 20 0 DBADRM Cc1nc(Cn2cc(C(=O)N[C@@H]3CC=C(C(=O)[O-])C3)nn2)no1 ZINC001607961298 1019055330 /nfs/dbraw/zinc/05/53/30/1019055330.db2.gz NWSNGNMINJZOLS-SECBINFHSA-N -1 0 318.293 -0.079 20 0 DBADRM Cc1nc(CCNC(=O)C(=O)NC[C@H](F)C(=O)[O-])cs1 ZINC001607954842 1019055398 /nfs/dbraw/zinc/05/53/98/1019055398.db2.gz XRIQEOGWNHMBFG-QMMMGPOBSA-N -1 0 303.315 -0.351 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)c1C(=O)[O-] ZINC001607939780 1019055747 /nfs/dbraw/zinc/05/57/47/1019055747.db2.gz GTBYDISTXGTHBX-JIGDXULJSA-N -1 0 301.324 -0.725 20 0 DBADRM Cc1nc(C)c(CC(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c(=O)[nH]1 ZINC001607947471 1019055893 /nfs/dbraw/zinc/05/58/93/1019055893.db2.gz NNVDMDPGMMUKCN-LLVKDONJSA-N -1 0 319.321 -0.123 20 0 DBADRM Cc1nc(N)nc(C)c1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001607960049 1019056158 /nfs/dbraw/zinc/05/61/58/1019056158.db2.gz GJLURBAHZGLSGX-UHFFFAOYSA-N -1 0 305.298 -0.605 20 0 DBADRM Cc1nc(C)c(NC(=O)C(=O)NCCOCC(=O)[O-])s1 ZINC001607952167 1019056402 /nfs/dbraw/zinc/05/64/02/1019056402.db2.gz NPYGDAWHBYKAFZ-UHFFFAOYSA-N -1 0 301.324 -0.084 20 0 DBADRM Cc1ncc(C(=O)NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1C ZINC001607976219 1019056909 /nfs/dbraw/zinc/05/69/09/1019056909.db2.gz XUGULMHHHFYNSB-UWVGGRQHSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1nc2ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc2o1 ZINC001607973317 1019057342 /nfs/dbraw/zinc/05/73/42/1019057342.db2.gz LGPHCWSHACWYRR-VIFPVBQESA-N -1 0 300.292 -0.140 20 0 DBADRM Cc1nc2ccnn2cc1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001607974903 1019057419 /nfs/dbraw/zinc/05/74/19/1019057419.db2.gz PPRRUVWTHIZCEE-SNVBAGLBSA-N -1 0 317.305 -0.547 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])nn1C ZINC001607963273 1019057795 /nfs/dbraw/zinc/05/77/95/1019057795.db2.gz YUSMBNYCXPIIJC-AEJSXWLSSA-N -1 0 321.337 -0.226 20 0 DBADRM Cc1ncc(C(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1C ZINC001607976309 1019057989 /nfs/dbraw/zinc/05/79/89/1019057989.db2.gz XUGULMHHHFYNSB-ZJUUUORDSA-N -1 0 320.349 -0.172 20 0 DBADRM Cc1ncc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c(C)n1 ZINC001607975485 1019058027 /nfs/dbraw/zinc/05/80/27/1019058027.db2.gz BHPZDJXFLQBIIO-LLVKDONJSA-N -1 0 306.322 -0.101 20 0 DBADRM Cc1nc[nH]c(=O)c1C(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001607975318 1019058547 /nfs/dbraw/zinc/05/85/47/1019058547.db2.gz ABCUVEASFSXYGT-IUCAKERBSA-N -1 0 320.305 -0.848 20 0 DBADRM Cc1ncc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])s1 ZINC001607982638 1019058816 /nfs/dbraw/zinc/05/88/16/1019058816.db2.gz FJOWSIGULFMUDI-IONNQARKSA-N -1 0 313.335 -0.173 20 0 DBADRM Cc1nc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])nn1C ZINC001607963275 1019058944 /nfs/dbraw/zinc/05/89/44/1019058944.db2.gz YUSMBNYCXPIIJC-IVZWLZJFSA-N -1 0 321.337 -0.226 20 0 DBADRM Cc1nc(NC(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)nn1C ZINC001607962805 1019059167 /nfs/dbraw/zinc/05/91/67/1019059167.db2.gz ILTCWNFGXQHFAX-VIFPVBQESA-N -1 0 309.326 -0.321 20 0 DBADRM Cc1nc(S(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)cn1C ZINC001607967037 1019059285 /nfs/dbraw/zinc/05/92/85/1019059285.db2.gz LGUFXQNNFQTNRD-UHFFFAOYSA-N -1 0 303.340 -0.767 20 0 DBADRM Cc1ncc(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1C ZINC001607987863 1019059975 /nfs/dbraw/zinc/05/99/75/1019059975.db2.gz ZGDLLRNYBLODAV-APPZFPTMSA-N -1 0 303.340 -0.409 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC001607996903 1019060090 /nfs/dbraw/zinc/06/00/90/1019060090.db2.gz TXPFFEFQDREZAK-UHFFFAOYSA-N -1 0 306.282 -0.396 20 0 DBADRM Cc1ncoc1C(=O)NC[C@@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001607992611 1019060117 /nfs/dbraw/zinc/06/01/17/1019060117.db2.gz DBGOLVXRYWUGEU-SECBINFHSA-N -1 0 321.293 -0.326 20 0 DBADRM Cc1ncc(S(=O)(=O)NCc2cnnn2C)cc1C(=O)[O-] ZINC001607984523 1019060524 /nfs/dbraw/zinc/06/05/24/1019060524.db2.gz DHHSUIISLMGAKH-UHFFFAOYSA-N -1 0 311.323 -0.305 20 0 DBADRM Cc1ncncc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607991080 1019060648 /nfs/dbraw/zinc/06/06/48/1019060648.db2.gz USKXEMRPWPAUFY-GHMZBOCLSA-N -1 0 318.333 -0.211 20 0 DBADRM Cc1ncoc1C(=O)NC[C@H](O)CNc1ncc(C(=O)[O-])cn1 ZINC001607992612 1019060886 /nfs/dbraw/zinc/06/08/86/1019060886.db2.gz DBGOLVXRYWUGEU-VIFPVBQESA-N -1 0 321.293 -0.326 20 0 DBADRM Cc1ncccc1CC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001607988735 1019061237 /nfs/dbraw/zinc/06/12/37/1019061237.db2.gz IRTRHHIISWYQGK-CHWSQXEVSA-N -1 0 317.345 -0.020 20 0 DBADRM Cc1ncoc1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001607992622 1019061519 /nfs/dbraw/zinc/06/15/19/1019061519.db2.gz DLOXTRXUQLTZGP-VHSXEESVSA-N -1 0 307.306 -0.108 20 0 DBADRM Cc1ncn(C)c1C(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1 ZINC001607990996 1019062052 /nfs/dbraw/zinc/06/20/52/1019062052.db2.gz RSABSSHHSIUROM-MRVPVSSYSA-N -1 0 318.337 -0.131 20 0 DBADRM Cc1nn(-c2cccnc2)nc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001607996587 1019062213 /nfs/dbraw/zinc/06/22/13/1019062213.db2.gz XPKOTAHDJIFXSO-LLVKDONJSA-N -1 0 317.305 -0.104 20 0 DBADRM Cc1nn(CCO)c(C)c1CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001608009002 1019062758 /nfs/dbraw/zinc/06/27/58/1019062758.db2.gz CNUSCKQQVIVLDQ-GFCCVEGCSA-N -1 0 310.354 -0.733 20 0 DBADRM Cc1nn(CCS(=O)(=O)N2CCC(C(=O)[O-])CC2)c(=O)o1 ZINC001608012141 1019063160 /nfs/dbraw/zinc/06/31/60/1019063160.db2.gz WCOPLRUQOIPYLL-UHFFFAOYSA-N -1 0 319.339 -0.729 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001608004692 1019063516 /nfs/dbraw/zinc/06/35/16/1019063516.db2.gz AXWDIIKQFSOPDB-UHFFFAOYSA-N -1 0 316.383 -0.490 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001608005056 1019063955 /nfs/dbraw/zinc/06/39/55/1019063955.db2.gz QYYHVANSIRBWGH-LLVKDONJSA-N -1 0 308.338 -0.131 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1 ZINC001608005684 1019064305 /nfs/dbraw/zinc/06/43/05/1019064305.db2.gz RNQDOEQQADUNMP-SNVBAGLBSA-N -1 0 313.339 -0.434 20 0 DBADRM Cc1nn(CC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])c(=O)n1C ZINC001608005295 1019064638 /nfs/dbraw/zinc/06/46/38/1019064638.db2.gz HWKQRWOIHGNKGH-ZETCQYMHSA-N -1 0 304.253 -0.789 20 0 DBADRM Cc1nn(C)cc1CCC(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001608003337 1019064762 /nfs/dbraw/zinc/06/47/62/1019064762.db2.gz VDMBOLSMMXJQEX-NSHDSACASA-N -1 0 306.326 -0.478 20 0 DBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)c1cc(CO)on1 ZINC001608005494 1019064779 /nfs/dbraw/zinc/06/47/79/1019064779.db2.gz WIMHBCWPOFDDFG-UHFFFAOYSA-N -1 0 308.294 -0.005 20 0 DBADRM Cc1nn(CC(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)c(=O)n1C ZINC001608003641 1019065137 /nfs/dbraw/zinc/06/51/37/1019065137.db2.gz JWSONKDRDRIPKU-UHFFFAOYSA-N -1 0 307.266 -0.672 20 0 DBADRM Cc1nn(CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c(=O)n1C ZINC001608011947 1019065222 /nfs/dbraw/zinc/06/52/22/1019065222.db2.gz QXKCLOJEGYAFHT-VIFPVBQESA-N -1 0 307.314 -0.916 20 0 DBADRM Cc1nnc(CN(C)C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)s1 ZINC001608015300 1019066129 /nfs/dbraw/zinc/06/61/29/1019066129.db2.gz WDBHMRNYIXXPIZ-ZKCHVHJHSA-N -1 0 312.351 -0.216 20 0 DBADRM Cc1nnc(N2CCC(C(=O)[O-])CC2)n1CCS(C)(=O)=O ZINC001608016516 1019066713 /nfs/dbraw/zinc/06/67/13/1019066713.db2.gz PDFZTJNCRYLNTI-UHFFFAOYSA-N -1 0 316.383 -0.068 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)n1C ZINC001608016818 1019067169 /nfs/dbraw/zinc/06/71/69/1019067169.db2.gz XNCVDCKAUMJZME-IONNQARKSA-N -1 0 309.326 -0.939 20 0 DBADRM Cc1nnsc1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001608018370 1019067348 /nfs/dbraw/zinc/06/73/48/1019067348.db2.gz FERLACRVGDJGIU-IUCAKERBSA-N -1 0 324.362 -0.150 20 0 DBADRM Cc1nnc(CC(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001608013774 1019067908 /nfs/dbraw/zinc/06/79/08/1019067908.db2.gz NYOHHTWXQPOLPD-ZJUUUORDSA-N -1 0 322.321 -0.784 20 0 DBADRM Cc1noc([C@H](C)NC(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001608020757 1019068226 /nfs/dbraw/zinc/06/82/26/1019068226.db2.gz AUNZITINDPQJKD-LURJTMIESA-N -1 0 309.286 -0.272 20 0 DBADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC[C@H](F)C(=O)[O-] ZINC001608043226 1019069387 /nfs/dbraw/zinc/06/93/87/1019069387.db2.gz MONYPEQWRUILIK-LURJTMIESA-N -1 0 308.287 -0.304 20 0 DBADRM Cc1oc(CNC(=O)c2cnn(C[C@@H](O)CO)c2)cc1C(=O)[O-] ZINC001608048680 1019069428 /nfs/dbraw/zinc/06/94/28/1019069428.db2.gz QLIHAKIDHJRYFM-SNVBAGLBSA-N -1 0 323.305 -0.234 20 0 DBADRM Cc1oc(S(=O)(=O)N(C)[C@@H]2CCNC2=O)cc1C(=O)[O-] ZINC001608053843 1019070342 /nfs/dbraw/zinc/07/03/42/1019070342.db2.gz LWKNNBHAZKHWIP-MRVPVSSYSA-N -1 0 302.308 -0.205 20 0 DBADRM Cc1noc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001608028010 1019070521 /nfs/dbraw/zinc/07/05/21/1019070521.db2.gz NNSXRNRRXYOHBE-OMHSBUABSA-N -1 0 306.322 -0.355 20 0 DBADRM Cc1noc(CNC(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)n1 ZINC001608028079 1019070813 /nfs/dbraw/zinc/07/08/13/1019070813.db2.gz QYWQYHJZYJWCDX-VIFPVBQESA-N -1 0 310.310 -0.389 20 0 DBADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](CO)CN1CCOCC1 ZINC001608033834 1019070830 /nfs/dbraw/zinc/07/08/30/1019070830.db2.gz FHLCLYYLUWQTHP-JTQLQIEISA-N -1 0 312.322 -0.291 20 0 DBADRM Cn1c(=O)ccn(CC(=O)O[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)c1=O ZINC001608077742 1019071285 /nfs/dbraw/zinc/07/12/85/1019071285.db2.gz HFVSUFSKYGPOBC-DBIOUOCHSA-N -1 0 322.317 -0.411 20 0 DBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001608054860 1019071562 /nfs/dbraw/zinc/07/15/62/1019071562.db2.gz ZLYCVZNCELDPJJ-NSHDSACASA-N -1 0 320.298 -0.126 20 0 DBADRM Cc1sc(S(N)(=O)=O)cc1C(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001608074597 1019071579 /nfs/dbraw/zinc/07/15/79/1019071579.db2.gz RQBUJMGRCLCJAF-JTQLQIEISA-N -1 0 322.364 -0.731 20 0 DBADRM Cn1c(-c2cn(CCO)nn2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001608073859 1019072158 /nfs/dbraw/zinc/07/21/58/1019072158.db2.gz BKUSBBNVMRVJDP-UHFFFAOYSA-N -1 0 321.341 -0.633 20 0 DBADRM Cn1c(=O)ccn(CC(=O)O[C@H](C(=O)[O-])c2ccsc2)c1=O ZINC001608077641 1019072631 /nfs/dbraw/zinc/07/26/31/1019072631.db2.gz FEMUCGGIVSKJIV-NSHDSACASA-N -1 0 324.314 -0.022 20 0 DBADRM Cc1occc1CN(C)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001608055403 1019073337 /nfs/dbraw/zinc/07/33/37/1019073337.db2.gz FESBSKBANRSLSW-VXGBXAGGSA-N -1 0 324.333 -0.160 20 0 DBADRM Cc1occc1C(=O)NCC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001608055573 1019073460 /nfs/dbraw/zinc/07/34/60/1019073460.db2.gz KIKFDAPONCVDJJ-UHFFFAOYSA-N -1 0 321.293 -0.576 20 0 DBADRM Cc1occc1CNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001608056976 1019073614 /nfs/dbraw/zinc/07/36/14/1019073614.db2.gz ZOTLJIMSBOMSAT-KCJUWKMLSA-N -1 0 310.306 -0.095 20 0 DBADRM Cc1sc(=O)n(CC(=O)NC2(C(=O)[O-])CC(CO)C2)c1C ZINC001608059025 1019073974 /nfs/dbraw/zinc/07/39/74/1019073974.db2.gz XOWHMEOZVSONJC-UHFFFAOYSA-N -1 0 314.363 -0.131 20 0 DBADRM Cn1c(=O)cccc1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001608080096 1019074399 /nfs/dbraw/zinc/07/43/99/1019074399.db2.gz DGPCXBXYYSGZGL-SECBINFHSA-N -1 0 317.305 -0.238 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC001608084192 1019074795 /nfs/dbraw/zinc/07/47/95/1019074795.db2.gz YAXFBNNBECWDRU-RYUDHWBXSA-N -1 0 321.333 -0.157 20 0 DBADRM Cn1c(=O)ccn(CC(=O)Nc2cccc(C(=O)[O-])c2N)c1=O ZINC001608078145 1019075000 /nfs/dbraw/zinc/07/50/00/1019075000.db2.gz VLFPTBHYPQLAMF-UHFFFAOYSA-N -1 0 318.289 -0.534 20 0 DBADRM Cn1cc(-c2ccc(=O)n(CC(=O)NCCC(=O)[O-])n2)cn1 ZINC001608092317 1019075742 /nfs/dbraw/zinc/07/57/42/1019075742.db2.gz RQINMPXAPWIZLC-UHFFFAOYSA-N -1 0 305.294 -0.765 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC001608084187 1019075967 /nfs/dbraw/zinc/07/59/67/1019075967.db2.gz YAXFBNNBECWDRU-NEPJUHHUSA-N -1 0 321.333 -0.157 20 0 DBADRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001608082405 1019076312 /nfs/dbraw/zinc/07/63/12/1019076312.db2.gz FGPYFDUHZSHGTB-AWEZNQCLSA-N -1 0 320.305 -0.463 20 0 DBADRM Cn1c(=O)cccc1C(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001608081852 1019076432 /nfs/dbraw/zinc/07/64/32/1019076432.db2.gz SZFUFHLNYYDHJE-SECBINFHSA-N -1 0 310.306 -0.279 20 0 DBADRM Cn1cc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001608096389 1019077117 /nfs/dbraw/zinc/07/71/17/1019077117.db2.gz KSGQISNXOKFDOA-AWEZNQCLSA-N -1 0 308.338 -0.578 20 0 DBADRM Cn1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)[nH]c1=O ZINC001608098220 1019077184 /nfs/dbraw/zinc/07/71/84/1019077184.db2.gz NFQRYRZLAQRVLT-HTQZYQBOSA-N -1 0 322.321 -0.775 20 0 DBADRM Cn1cc(C(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])n(C)c1=O ZINC001608098153 1019077281 /nfs/dbraw/zinc/07/72/81/1019077281.db2.gz KCUQHXLLDFLJQL-SNVBAGLBSA-N -1 0 319.317 -0.145 20 0 DBADRM Cn1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c(Cl)n1 ZINC001608095908 1019077488 /nfs/dbraw/zinc/07/74/88/1019077488.db2.gz ADTZXSRHVXUXPA-ZETCQYMHSA-N -1 0 300.702 -0.511 20 0 DBADRM Cn1cc(-c2nn(C)cc2C(=O)NC[C@@](C)(O)C(=O)[O-])cn1 ZINC001608095020 1019077527 /nfs/dbraw/zinc/07/75/27/1019077527.db2.gz TUKGNNNYXZEPKV-CYBMUJFWSA-N -1 0 307.310 -0.614 20 0 DBADRM Cn1cc(C(=O)CN2C(=O)N[C@@](C)(CCC(=O)[O-])C2=O)cn1 ZINC001608096656 1019077586 /nfs/dbraw/zinc/07/75/86/1019077586.db2.gz IHCHEJTWBOLYFR-ZDUSSCGKSA-N -1 0 308.294 -0.222 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2CCN3C(=O)OC[C@@H]3C2)n1 ZINC001608098980 1019077659 /nfs/dbraw/zinc/07/76/59/1019077659.db2.gz FELZTVLGCCNZDV-ZETCQYMHSA-N -1 0 309.282 -0.213 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)n1 ZINC001608100257 1019077686 /nfs/dbraw/zinc/07/76/86/1019077686.db2.gz UACHKKPEBHVTAP-SSDOTTSWSA-N -1 0 318.293 -0.167 20 0 DBADRM Cn1cc(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC001608096827 1019077750 /nfs/dbraw/zinc/07/77/50/1019077750.db2.gz SUMMZAKHKIBJIW-AWEZNQCLSA-N -1 0 309.322 -0.543 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CO)[C@H]1CCOC1 ZINC001608103977 1019078840 /nfs/dbraw/zinc/07/88/40/1019078840.db2.gz XBVCBDPIHZDFQS-WCBMZHEXSA-N -1 0 318.351 -0.601 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CCSC[C@@H]1CO ZINC001608101804 1019079033 /nfs/dbraw/zinc/07/90/33/1019079033.db2.gz FSKRYPDOLHYFIV-VIFPVBQESA-N -1 0 320.392 -0.178 20 0 DBADRM Cn1cc(C(C)(C)NC(=O)NCCn2cc(C(=O)[O-])nn2)cn1 ZINC001608105457 1019079525 /nfs/dbraw/zinc/07/95/25/1019079525.db2.gz FHCZXLWFLJDBBA-UHFFFAOYSA-N -1 0 321.341 -0.056 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)NCCS(C)(=O)=O ZINC001608101206 1019079856 /nfs/dbraw/zinc/07/98/56/1019079856.db2.gz TWTGDNMSQDOCBX-UHFFFAOYSA-N -1 0 310.353 -0.954 20 0 DBADRM Cn1cc(CC(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cn1 ZINC001608106386 1019080453 /nfs/dbraw/zinc/08/04/53/1019080453.db2.gz CCXZXFAPQCYHFE-MNOVXSKESA-N -1 0 320.349 -0.552 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)nn1 ZINC001608116948 1019082144 /nfs/dbraw/zinc/08/21/44/1019082144.db2.gz PKQGLLYYJBDPOW-UHFFFAOYSA-N -1 0 315.289 -0.006 20 0 DBADRM Cn1cc(CN2CCC(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001608112773 1019082779 /nfs/dbraw/zinc/08/27/79/1019082779.db2.gz PVESDPXEWHEDNI-STQMWFEESA-N -1 0 321.381 -0.136 20 0 DBADRM Cn1cc(NC(=O)C(=O)Nc2ccc(=O)n(C)c2)cc1C(=O)[O-] ZINC001608116205 1019082907 /nfs/dbraw/zinc/08/29/07/1019082907.db2.gz NLEHZZAYXCFPRQ-UHFFFAOYSA-N -1 0 318.289 -0.001 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)C2=O)cn1 ZINC001608117208 1019083155 /nfs/dbraw/zinc/08/31/55/1019083155.db2.gz GVMCCSAIJATPDX-WCABBAIRSA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1cc(N2C[C@H](C(=O)NC[C@H](F)C(=O)[O-])CCC2=O)cn1 ZINC001608116755 1019083371 /nfs/dbraw/zinc/08/33/71/1019083371.db2.gz AVEMEVLTFPTQGF-SCZZXKLOSA-N -1 0 312.301 -0.298 20 0 DBADRM Cn1cc(CN2CC=C(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001608113669 1019083587 /nfs/dbraw/zinc/08/35/87/1019083587.db2.gz VPRJMUDDYCUWRE-QWHCGFSZSA-N -1 0 319.365 -0.216 20 0 DBADRM Cn1cc(NC(=O)N[C@H]2CCCN(CCO)C2=O)cc1C(=O)[O-] ZINC001608120963 1019084514 /nfs/dbraw/zinc/08/45/14/1019084514.db2.gz CGBDJTSZYDEROX-JTQLQIEISA-N -1 0 324.337 -0.172 20 0 DBADRM Cn1ccc(CC(=O)OCCCc2cn(CC(=O)[O-])nn2)n1 ZINC001608124191 1019085221 /nfs/dbraw/zinc/08/52/21/1019085221.db2.gz DUTMQYLWAPXKKW-UHFFFAOYSA-N -1 0 307.310 -0.185 20 0 DBADRM Cn1ccc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001608126096 1019085499 /nfs/dbraw/zinc/08/54/99/1019085499.db2.gz COIDIDMRWLKRNI-USZNOCQGSA-N -1 0 320.349 -0.553 20 0 DBADRM Cn1ccc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CCC2)n1 ZINC001608123818 1019085736 /nfs/dbraw/zinc/08/57/36/1019085736.db2.gz UNBJHUMBCFUHOL-NXEZZACHSA-N -1 0 320.349 -0.091 20 0 DBADRM Cn1ccc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001608126095 1019086198 /nfs/dbraw/zinc/08/61/98/1019086198.db2.gz COIDIDMRWLKRNI-KXNHARMFSA-N -1 0 320.349 -0.553 20 0 DBADRM Cn1ccc(CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001608126787 1019086261 /nfs/dbraw/zinc/08/62/61/1019086261.db2.gz ONCNTRFTLFPPIZ-GHMZBOCLSA-N -1 0 306.322 -0.990 20 0 DBADRM Cn1ccc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)n1 ZINC001608127750 1019087042 /nfs/dbraw/zinc/08/70/42/1019087042.db2.gz MMLNCRBJMXSWGB-UHFFFAOYSA-N -1 0 302.356 -0.799 20 0 DBADRM Cn1ccc(NC(=O)CNS(=O)(=O)C2(C(=O)[O-])CCC2)n1 ZINC001608130457 1019087562 /nfs/dbraw/zinc/08/75/62/1019087562.db2.gz OFQJAZHLMWCBED-UHFFFAOYSA-N -1 0 316.339 -0.715 20 0 DBADRM Cn1cnc(C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])cc1=O ZINC001608134720 1019087613 /nfs/dbraw/zinc/08/76/13/1019087613.db2.gz VCZIXSJAIAEQJG-CYBMUJFWSA-N -1 0 305.294 -0.750 20 0 DBADRM Cn1ccnc(NC(=O)Cn2cccc(C(=O)[O-])c2=O)c1=O ZINC001608128683 1019087713 /nfs/dbraw/zinc/08/77/13/1019087713.db2.gz HAGXEKCZQLXHKC-UHFFFAOYSA-N -1 0 304.262 -0.721 20 0 DBADRM Cn1cccc1CNC(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001608128706 1019088016 /nfs/dbraw/zinc/08/80/16/1019088016.db2.gz AHYGHCXPIOMMHM-MWLCHTKSSA-N -1 0 309.322 -0.753 20 0 DBADRM Cn1ccc(NC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cc1=O ZINC001608130503 1019088035 /nfs/dbraw/zinc/08/80/35/1019088035.db2.gz OYGOSFRPNKFBEV-UHFFFAOYSA-N -1 0 318.293 -0.236 20 0 DBADRM Cn1ccnc(NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c1=O ZINC001608128695 1019088363 /nfs/dbraw/zinc/08/83/63/1019088363.db2.gz HSJRMUFKMSELHX-CYBMUJFWSA-N -1 0 321.293 -0.382 20 0 DBADRM Cn1cnc(C(=O)NCC=CCNc2ccnc(C(=O)[O-])n2)n1 ZINC001608134275 1019089018 /nfs/dbraw/zinc/08/90/18/1019089018.db2.gz PSHDWMKEYZHEAU-NSCUHMNNSA-N -1 0 317.309 -0.877 20 0 DBADRM Cn1cnn(CCC(=O)OCc2ccc(C(=O)[O-])cn2)c1=O ZINC001608137571 1019089656 /nfs/dbraw/zinc/08/96/56/1019089656.db2.gz OVGZFAJCMQMUPL-UHFFFAOYSA-N -1 0 306.278 -0.192 20 0 DBADRM Cn1cnc2ccc(C(=O)Nc3n[nH]c(CC(=O)[O-])n3)nc21 ZINC001608136420 1019089675 /nfs/dbraw/zinc/08/96/75/1019089675.db2.gz PKQNKKWAONSZHH-UHFFFAOYSA-N -1 0 301.266 -0.034 20 0 DBADRM Cn1cnn(CCC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)c1=O ZINC001608137390 1019090360 /nfs/dbraw/zinc/09/03/60/1019090360.db2.gz KCPMPEKNUQKKFB-DBIOUOCHSA-N -1 0 308.338 -0.413 20 0 DBADRM Cn1cncc1C(=O)NC/C=C/CNc1ccnc(C(=O)[O-])n1 ZINC001608136322 1019090447 /nfs/dbraw/zinc/09/04/47/1019090447.db2.gz KWOJMRDJFHUHFO-NSCUHMNNSA-N -1 0 316.321 -0.272 20 0 DBADRM Cn1cnc(S(=O)(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c1 ZINC001608135259 1019091514 /nfs/dbraw/zinc/09/15/14/1019091514.db2.gz KMEVDVYSRKQSKY-NSHDSACASA-N -1 0 314.323 -0.586 20 0 DBADRM Cn1cnnc1S(=O)(=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC001608139019 1019091705 /nfs/dbraw/zinc/09/17/05/1019091705.db2.gz BCHDZUPAQCHZOX-VIFPVBQESA-N -1 0 318.355 -0.637 20 0 DBADRM Cn1nc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)cc1C(=O)[O-] ZINC001608148105 1019092075 /nfs/dbraw/zinc/09/20/75/1019092075.db2.gz HYNIQMNBUKFDDX-AWEZNQCLSA-N -1 0 320.305 -0.330 20 0 DBADRM Cn1cnnc1N1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001608140524 1019092131 /nfs/dbraw/zinc/09/21/31/1019092131.db2.gz SQSIYRROHPDLPD-AOOOYVTPSA-N -1 0 308.342 -0.490 20 0 DBADRM Cn1nc(C(=O)N(CCC(=O)[O-])C2CCOCC2)ccc1=O ZINC001608139632 1019092554 /nfs/dbraw/zinc/09/25/54/1019092554.db2.gz GEZVWRGMYRJJKZ-UHFFFAOYSA-N -1 0 309.322 -0.124 20 0 DBADRM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001608148165 1019092579 /nfs/dbraw/zinc/09/25/79/1019092579.db2.gz DINVTSMKPJHBPL-SECBINFHSA-N -1 0 324.337 -0.023 20 0 DBADRM Cn1nc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1C(=O)[O-] ZINC001608149415 1019092630 /nfs/dbraw/zinc/09/26/30/1019092630.db2.gz YVDPGKXUPGUGIK-ZETCQYMHSA-N -1 0 316.339 -0.519 20 0 DBADRM Cn1[nH]c([C@@H]2CCCN2C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)nc1=N ZINC001608147933 1019092708 /nfs/dbraw/zinc/09/27/08/1019092708.db2.gz CKEIYAIXQVTSPM-YIZRAAEISA-N -1 0 309.326 -0.477 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)N1CCc2c[nH]nc2C1 ZINC001608155133 1019093684 /nfs/dbraw/zinc/09/36/84/1019093684.db2.gz NJOMPAYHMGNJKC-UHFFFAOYSA-N -1 0 318.293 -0.635 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCC1(O)CCCCC1 ZINC001608154931 1019095065 /nfs/dbraw/zinc/09/50/65/1019095065.db2.gz JCAUCHMXVBIQPH-UHFFFAOYSA-N -1 0 324.337 -0.132 20 0 DBADRM Cn1ncc(C(=O)N[C@H](CC(=O)[O-])C2CC2)c1-n1cnnc1 ZINC001608153325 1019095982 /nfs/dbraw/zinc/09/59/82/1019095982.db2.gz GYBYIYPBDMZYMU-SNVBAGLBSA-N -1 0 304.310 -0.016 20 0 DBADRM Cn1nnc(CNCC2(CCNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001608167593 1019099616 /nfs/dbraw/zinc/09/96/16/1019099616.db2.gz NMJAPPBEPYSMGH-VHSXEESVSA-N -1 0 322.369 -0.693 20 0 DBADRM Cn1nnc2cc(C(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)ccc21 ZINC001608168084 1019099840 /nfs/dbraw/zinc/09/98/40/1019099840.db2.gz OCMPIZAULFXETQ-UWVGGRQHSA-N -1 0 304.306 -0.124 20 0 DBADRM Cn1ncnc1CCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001608166778 1019100764 /nfs/dbraw/zinc/10/07/64/1019100764.db2.gz YQTYGYKNCUGOIP-UHFFFAOYSA-N -1 0 313.339 -0.248 20 0 DBADRM Cn1nnc(C(=O)NCc2nc3cc(C(=O)[O-])ccc3[nH]2)n1 ZINC001608165835 1019101013 /nfs/dbraw/zinc/10/10/13/1019101013.db2.gz RVOHNUYNXWKVMX-UHFFFAOYSA-N -1 0 301.266 -0.285 20 0 DBADRM Cn1nncc1C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001608168334 1019101071 /nfs/dbraw/zinc/10/10/71/1019101071.db2.gz RKYOPTYOXXGJFW-UHFFFAOYSA-N -1 0 303.278 -0.118 20 0 DBADRM Cn1nnc2cc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])ccc21 ZINC001608167791 1019101207 /nfs/dbraw/zinc/10/12/07/1019101207.db2.gz JFWDFRMWXKDHSW-NSHDSACASA-N -1 0 314.323 -0.918 20 0 DBADRM Cn1nnc2cc(C(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)ccc21 ZINC001608168088 1019101408 /nfs/dbraw/zinc/10/14/08/1019101408.db2.gz OCMPIZAULFXETQ-ZJUUUORDSA-N -1 0 304.306 -0.124 20 0 DBADRM Cn1ncnc1C1(O)CN(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001608166588 1019101753 /nfs/dbraw/zinc/10/17/53/1019101753.db2.gz SWFWPWADCHNWFI-UHFFFAOYSA-N -1 0 316.317 -0.214 20 0 DBADRM Cn1nncc1S(=O)(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001608169162 1019104116 /nfs/dbraw/zinc/10/41/16/1019104116.db2.gz KMBPIHBFEXKZLQ-UHFFFAOYSA-N -1 0 318.355 -0.635 20 0 DBADRM Cn1nnc2c1CC[C@H](NC(=O)NCCSCC(=O)[O-])C2 ZINC001608168803 1019105519 /nfs/dbraw/zinc/10/55/19/1019105519.db2.gz XGJQVRNDZGWFNN-QMMMGPOBSA-N -1 0 313.383 -0.211 20 0 DBADRM Cn1nncc1S(=O)(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001608169634 1019106021 /nfs/dbraw/zinc/10/60/21/1019106021.db2.gz ZTFQSQHCGHEMBT-UHFFFAOYSA-N -1 0 304.328 -0.883 20 0 DBADRM NC(=O)[C@](O)(Cn1nnc(CCC(=O)[O-])n1)c1ccccc1 ZINC001608228204 1019114437 /nfs/dbraw/zinc/11/44/37/1019114437.db2.gz NSXXSBJGYLRHDD-ZDUSSCGKSA-N -1 0 305.294 -0.937 20 0 DBADRM NC(=O)[C@@H]1CC(C(=O)N2CC[C@H]2C(=O)[O-])=NN1c1ccccc1 ZINC001608228984 1019114769 /nfs/dbraw/zinc/11/47/69/1019114769.db2.gz BYRUKNURPJQKMK-RYUDHWBXSA-N -1 0 316.317 -0.208 20 0 DBADRM NC(=O)C(=O)N[C@H](CNc1ccnc(C(=O)[O-])n1)C1CCCC1 ZINC001608227243 1019115131 /nfs/dbraw/zinc/11/51/31/1019115131.db2.gz LYOJVRPRJHGRPH-SECBINFHSA-N -1 0 321.337 -0.831 20 0 DBADRM NC(=O)[C@@H]1CCCN1S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001608240152 1019130763 /nfs/dbraw/zinc/13/07/63/1019130763.db2.gz MIUJXXCKAFSOCG-KXUCPTDWSA-N -1 0 304.368 -0.091 20 0 DBADRM NC(=O)CC(=O)N[C@@H]1CCC[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001608230800 1019117954 /nfs/dbraw/zinc/11/79/54/1019117954.db2.gz ZVYYHRYGJXFGDS-PSASIEDQSA-N -1 0 321.337 -0.253 20 0 DBADRM NC(=O)[C@H]1CN(C(=O)NCCCCCCC(=O)[O-])CCO1 ZINC001608230342 1019118324 /nfs/dbraw/zinc/11/83/24/1019118324.db2.gz WBHFZAATSCBKEO-SNVBAGLBSA-N -1 0 301.343 -0.083 20 0 DBADRM NC(=O)C12CCC(CC1)N2S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001608229403 1019118911 /nfs/dbraw/zinc/11/89/11/1019118911.db2.gz KARCTOCVIOYNAB-UHFFFAOYSA-N -1 0 302.352 -0.337 20 0 DBADRM NC(=O)[C@H]1CCCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001608230915 1019119196 /nfs/dbraw/zinc/11/91/96/1019119196.db2.gz DUUWYCZLOXTZFC-SECBINFHSA-N -1 0 304.368 -0.089 20 0 DBADRM NC(=O)CN1CCc2ccc(NC(=O)COCC(=O)[O-])cc2C1 ZINC001608234736 1019121470 /nfs/dbraw/zinc/12/14/70/1019121470.db2.gz MOTKJAMTGNLZFI-UHFFFAOYSA-N -1 0 321.333 -0.430 20 0 DBADRM NC(=O)CN1CCN([C@@H](C(=O)[O-])c2ccccc2F)CC1=O ZINC001608235059 1019121531 /nfs/dbraw/zinc/12/15/31/1019121531.db2.gz SAJZMVJYELNOLU-CYBMUJFWSA-N -1 0 309.297 -0.419 20 0 DBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC001608232400 1019122810 /nfs/dbraw/zinc/12/28/10/1019122810.db2.gz VTAAVYALPSQDNW-QMMMGPOBSA-N -1 0 323.280 -0.204 20 0 DBADRM NC(=O)CN1CCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1=O ZINC001608234375 1019122884 /nfs/dbraw/zinc/12/28/84/1019122884.db2.gz CEPHUYIJMDKBQN-UWVGGRQHSA-N -1 0 311.338 -0.967 20 0 DBADRM NC(=O)N[C@@H](CC(=O)N1CC[C@@](O)(C(=O)[O-])C1)c1ccccc1 ZINC001608237654 1019124954 /nfs/dbraw/zinc/12/49/54/1019124954.db2.gz CAELSQADTRUGTL-NHYWBVRUSA-N -1 0 321.333 -0.166 20 0 DBADRM NC(=O)N[C@H](CC(=O)N[C@H](CO)C(=O)[O-])c1cccs1 ZINC001608238123 1019125064 /nfs/dbraw/zinc/12/50/64/1019125064.db2.gz MPOSVMZLTFEBFX-RNFRBKRXSA-N -1 0 301.324 -0.591 20 0 DBADRM NC(=O)CSCC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001608236319 1019125280 /nfs/dbraw/zinc/12/52/80/1019125280.db2.gz VRIGNMICKJBATI-DTWKUNHWSA-N -1 0 304.368 -0.409 20 0 DBADRM NC(=O)N1CC[C@H](CNS(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001608236775 1019125748 /nfs/dbraw/zinc/12/57/48/1019125748.db2.gz HEHJAZSZMNPMCY-SSDOTTSWSA-N -1 0 317.323 -0.343 20 0 DBADRM NC(=O)N1CC[C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001608237336 1019126234 /nfs/dbraw/zinc/12/62/34/1019126234.db2.gz WCYJNPWIFIORIV-ZETCQYMHSA-N -1 0 317.323 -0.343 20 0 DBADRM NC(=O)CNC(=S)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001608235432 1019126606 /nfs/dbraw/zinc/12/66/06/1019126606.db2.gz LNJONEGYKCDKPZ-UHFFFAOYSA-N -1 0 302.743 -0.117 20 0 DBADRM NC(=O)COC1CCN(C(=O)NCCSCC(=O)[O-])CC1 ZINC001608235234 1019126661 /nfs/dbraw/zinc/12/66/61/1019126661.db2.gz HXJCYLSGHWYNPL-UHFFFAOYSA-N -1 0 319.383 -0.520 20 0 DBADRM NC(=O)Cc1ccc(CN2C(=O)N[C@H](CCC(=O)[O-])C2=O)cc1 ZINC001608237577 1019126676 /nfs/dbraw/zinc/12/66/76/1019126676.db2.gz YHKMXRMJTQWBSW-LLVKDONJSA-N -1 0 319.317 0.000 20 0 DBADRM NC(=O)COc1cccc(N2C(=O)N[C@H](CCC(=O)[O-])C2=O)c1 ZINC001608235933 1019126965 /nfs/dbraw/zinc/12/69/65/1019126965.db2.gz JNHOVZQAEWPDMK-SNVBAGLBSA-N -1 0 321.289 -0.160 20 0 DBADRM NC(=O)Cc1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC001608237525 1019127259 /nfs/dbraw/zinc/12/72/59/1019127259.db2.gz VPCOQDYHCKINNF-UHFFFAOYSA-N -1 0 317.305 -0.680 20 0 DBADRM NC(=O)c1cc(N2C[C@H](O)C[C@@H](C(=O)[O-])C2)nc(Cl)n1 ZINC001608241421 1019128919 /nfs/dbraw/zinc/12/89/19/1019128919.db2.gz LREOOIBVYUBRIO-PHDIDXHHSA-N -1 0 300.702 -0.499 20 0 DBADRM NC(=O)NC1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001608238612 1019129173 /nfs/dbraw/zinc/12/91/73/1019129173.db2.gz VITYOQRYVGOPTN-UHFFFAOYSA-N -1 0 312.370 -0.558 20 0 DBADRM NC(=O)[C@H]1CC[C@@H](NS(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001608240705 1019130432 /nfs/dbraw/zinc/13/04/32/1019130432.db2.gz WJHVAXWKFGKSBA-NTSWFWBYSA-N -1 0 319.364 -0.226 20 0 DBADRM NC(=O)c1ccc(=O)n(CC(=O)Nc2ccsc2C(=O)[O-])n1 ZINC001608239098 1019130584 /nfs/dbraw/zinc/13/05/84/1019130584.db2.gz HPWBMBGBKZOZMZ-UHFFFAOYSA-N -1 0 322.302 -0.259 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCC(O)(C(=O)[O-])CC2)cn1 ZINC001608242813 1019130687 /nfs/dbraw/zinc/13/06/87/1019130687.db2.gz KNGAPWOJJBWCTA-UHFFFAOYSA-N -1 0 307.306 -0.839 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])O1 ZINC001608239354 1019130786 /nfs/dbraw/zinc/13/07/86/1019130786.db2.gz CMIZGDQCWSMOMQ-SVDPJWKOSA-N -1 0 314.338 -0.764 20 0 DBADRM NC(=O)c1coc(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC001608244719 1019132660 /nfs/dbraw/zinc/13/26/60/1019132660.db2.gz AMSLJFCXVLYCBY-SNVBAGLBSA-N -1 0 311.294 -0.236 20 0 DBADRM NC(=O)c1cnc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c(Cl)c1 ZINC001608247034 1019132681 /nfs/dbraw/zinc/13/26/81/1019132681.db2.gz PRKMWGSMQNZKMQ-HTRCEHHLSA-N -1 0 313.697 -0.506 20 0 DBADRM NC(=O)c1cnn(CCOC(=O)Cn2cc(C(=O)[O-])cn2)c1 ZINC001608245220 1019132800 /nfs/dbraw/zinc/13/28/00/1019132800.db2.gz IRRCDGDVNFKELL-UHFFFAOYSA-N -1 0 307.266 -0.880 20 0 DBADRM NC(=O)c1ccc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)c(F)c1 ZINC001608244500 1019132877 /nfs/dbraw/zinc/13/28/77/1019132877.db2.gz GCVQOVWIHWAOFI-CYBMUJFWSA-N -1 0 311.269 -0.022 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])cn1 ZINC001608243224 1019133015 /nfs/dbraw/zinc/13/30/15/1019133015.db2.gz RMRPYIHTOUEHAY-JTQLQIEISA-N -1 0 307.306 -0.575 20 0 DBADRM NC(=O)c1ccc(CC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cn1 ZINC001608243190 1019134027 /nfs/dbraw/zinc/13/40/27/1019134027.db2.gz QVDLDHYKIAADTD-ZJUUUORDSA-N -1 0 307.306 -0.983 20 0 DBADRM NC(=O)c1ncc(NC(=O)NC[C@]2(C(=O)[O-])CCOC2)s1 ZINC001608246439 1019134834 /nfs/dbraw/zinc/13/48/34/1019134834.db2.gz YZADJMRPQWFILO-LLVKDONJSA-N -1 0 314.323 -0.145 20 0 DBADRM NC(=O)c1ncn(CC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)n1 ZINC001608248289 1019136278 /nfs/dbraw/zinc/13/62/78/1019136278.db2.gz ONVOAHCIUGIAHJ-SNVBAGLBSA-N -1 0 309.326 -0.473 20 0 DBADRM N=C1NC(=O)C(CC(=O)NCc2ccnc(C(=O)[O-])c2)S1 ZINC001608250367 1019137867 /nfs/dbraw/zinc/13/78/67/1019137867.db2.gz DPRRENFAGFGESP-QMMMGPOBSA-N -1 0 308.319 -0.048 20 0 DBADRM NS(=O)(=O)C1CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001608259382 1019139634 /nfs/dbraw/zinc/13/96/34/1019139634.db2.gz JXRZKWZLNDKKNR-UHFFFAOYSA-N -1 0 313.335 -0.327 20 0 DBADRM NS(=O)(=O)CCCCCCC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001608260096 1019140377 /nfs/dbraw/zinc/14/03/77/1019140377.db2.gz BWOFMQWMHMZRQV-LBPRGKRZSA-N -1 0 322.383 -0.727 20 0 DBADRM NS(=O)(=O)CCN1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001608260790 1019140579 /nfs/dbraw/zinc/14/05/79/1019140579.db2.gz WKGIMBRLIHDRSJ-RQJHMYQMSA-N -1 0 304.290 -0.140 20 0 DBADRM NS(=O)(=O)C1CN(CCOc2cccc(C(=O)[O-])c2)C1 ZINC001608259739 1019140732 /nfs/dbraw/zinc/14/07/32/1019140732.db2.gz RASATZKACNIZRL-UHFFFAOYSA-N -1 0 300.336 -0.264 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC001608260022 1019141335 /nfs/dbraw/zinc/14/13/35/1019141335.db2.gz YYRHVQUEZFWEMK-UHFFFAOYSA-N -1 0 302.283 -0.363 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)cs1 ZINC001608261268 1019142905 /nfs/dbraw/zinc/14/29/05/1019142905.db2.gz PJKPZBRDNWZPJX-JTQLQIEISA-N -1 0 320.348 -0.943 20 0 DBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2CC(=O)[O-])C1 ZINC001608261490 1019143664 /nfs/dbraw/zinc/14/36/64/1019143664.db2.gz UNTRDQFBKPZZDA-UWVGGRQHSA-N -1 0 319.383 -0.632 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](CC2CC2)C(=O)[O-])C1 ZINC001608260929 1019143983 /nfs/dbraw/zinc/14/39/83/1019143983.db2.gz CWBILKPIWZYNLO-NXEZZACHSA-N -1 0 319.383 -0.729 20 0 DBADRM NS(=O)(=O)NC1CN(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001608261510 1019144176 /nfs/dbraw/zinc/14/41/76/1019144176.db2.gz VEYRXKVPOQBWDO-UHFFFAOYSA-N -1 0 317.298 -0.859 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NCC2(C(=O)[O-])CC2)s1 ZINC001608261436 1019144357 /nfs/dbraw/zinc/14/43/57/1019144357.db2.gz KFPBOOWOLWOSEN-UHFFFAOYSA-N -1 0 304.349 -0.010 20 0 DBADRM NS(=O)(=O)N1CCN(Cc2cncc(C(=O)[O-])c2)CC1 ZINC001608260905 1019144425 /nfs/dbraw/zinc/14/44/25/1019144425.db2.gz BSHITLNKIZOVLO-UHFFFAOYSA-N -1 0 300.340 -0.899 20 0 DBADRM NS(=O)(=O)c1sccc1C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001608264070 1019144838 /nfs/dbraw/zinc/14/48/38/1019144838.db2.gz ORHLHTRSGSLTRE-JIGDXULJSA-N -1 0 316.360 -0.202 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2CC(=O)[O-])C1 ZINC001608261492 1019144944 /nfs/dbraw/zinc/14/49/44/1019144944.db2.gz UNTRDQFBKPZZDA-ZJUUUORDSA-N -1 0 319.383 -0.632 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)NC2CC(CC(=O)[O-])C2)cn1 ZINC001608261543 1019145110 /nfs/dbraw/zinc/14/51/10/1019145110.db2.gz LZACHHSLSKKHDS-UHFFFAOYSA-N -1 0 313.335 -0.288 20 0 DBADRM Nc1nc(C2CC2)ncc1C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001608275903 1019147134 /nfs/dbraw/zinc/14/71/34/1019147134.db2.gz RFYHIMSHJRJLJE-RKDXNWHRSA-N -1 0 306.322 -0.156 20 0 DBADRM Nc1nccnc1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001608277634 1019147558 /nfs/dbraw/zinc/14/75/58/1019147558.db2.gz LMCMOYBTMPGDRQ-SSDOTTSWSA-N -1 0 303.282 -0.564 20 0 DBADRM NS(=O)(=O)c1nc(C(=O)NCCC(=O)[O-])n2ccccc12 ZINC001608264450 1019147735 /nfs/dbraw/zinc/14/77/35/1019147735.db2.gz XQJLULAUHZCYDD-UHFFFAOYSA-N -1 0 312.307 -0.814 20 0 DBADRM Nc1ncn(CC(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)n1 ZINC001608277668 1019147752 /nfs/dbraw/zinc/14/77/52/1019147752.db2.gz MOUUMZJOQZVDCI-SNVBAGLBSA-N -1 0 303.278 -0.261 20 0 DBADRM Nc1ccnc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)c1 ZINC001608273928 1019147940 /nfs/dbraw/zinc/14/79/40/1019147940.db2.gz HWFWUIKTTMKVPX-UHFFFAOYSA-N -1 0 313.335 -0.574 20 0 DBADRM Nc1c(-n2cccn2)ncnc1N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001608270537 1019148209 /nfs/dbraw/zinc/14/82/09/1019148209.db2.gz PHCMTMOUBKOXDP-IUCAKERBSA-N -1 0 304.310 -0.484 20 0 DBADRM Nc1c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cnn1-c1ccccn1 ZINC001608269022 1019148448 /nfs/dbraw/zinc/14/84/48/1019148448.db2.gz QAWKYRUYFDPTOM-SNVBAGLBSA-N -1 0 317.305 -0.225 20 0 DBADRM Nc1nccnc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608277713 1019150644 /nfs/dbraw/zinc/15/06/44/1019150644.db2.gz NNUNPVOGWMGCDZ-RKDXNWHRSA-N -1 0 319.321 -0.936 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC001608279792 1019150669 /nfs/dbraw/zinc/15/06/69/1019150669.db2.gz YZESEAGTPCYEKN-SNVBAGLBSA-N -1 0 310.350 -0.175 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC001608279791 1019151758 /nfs/dbraw/zinc/15/17/58/1019151758.db2.gz YZESEAGTPCYEKN-JTQLQIEISA-N -1 0 310.350 -0.175 20 0 DBADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)NCC(=O)N1CCOCC1 ZINC001608286555 1019152159 /nfs/dbraw/zinc/15/21/59/1019152159.db2.gz YNMKPFFXSBBFSC-DUXPYHPUSA-N -1 0 308.290 -0.034 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2)C1 ZINC001608279495 1019152228 /nfs/dbraw/zinc/15/22/28/1019152228.db2.gz VPXSLJRTHRDLED-LBPRGKRZSA-N -1 0 318.329 -0.051 20 0 DBADRM O=C([O-])[C@H](CNC(=O)CC1(O)CCOCC1)[C@@H]1CCOC1 ZINC001608291778 1019152601 /nfs/dbraw/zinc/15/26/01/1019152601.db2.gz ROPBTFGJBVZURC-GHMZBOCLSA-N -1 0 301.339 -0.229 20 0 DBADRM O=C(/C=C/COC1CCOCC1)NCCn1cc(C(=O)[O-])nn1 ZINC001608282472 1019152718 /nfs/dbraw/zinc/15/27/18/1019152718.db2.gz WBJMILVSTITWFP-OWOJBTEDSA-N -1 0 324.337 -0.156 20 0 DBADRM O=C([O-])c1cnc(N[C@H](CO)CNC(=O)CC2(O)CCC2)nc1 ZINC001608291287 1019152939 /nfs/dbraw/zinc/15/29/39/1019152939.db2.gz KLALKYMSCZCZIV-JTQLQIEISA-N -1 0 324.337 -0.631 20 0 DBADRM O=C([O-])[C@H](CCF)NC(=O)CC1(n2cnnn2)CCOCC1 ZINC001608291430 1019153103 /nfs/dbraw/zinc/15/31/03/1019153103.db2.gz NGVNYUCEXRHJRM-VIFPVBQESA-N -1 0 315.305 -0.502 20 0 DBADRM O=C([O-])c1cnoc1COC(=O)CCN1CCCS1(=O)=O ZINC001608309029 1019154084 /nfs/dbraw/zinc/15/40/84/1019154084.db2.gz GHCILBSZBANXHM-UHFFFAOYSA-N -1 0 318.307 -0.158 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)C[C@H]2CCCOC2)n1 ZINC001608295650 1019154255 /nfs/dbraw/zinc/15/42/55/1019154255.db2.gz RFGRLWOMXULMIE-SNVBAGLBSA-N -1 0 308.338 -0.059 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)CC2CCCC2)C1 ZINC001608294572 1019154313 /nfs/dbraw/zinc/15/43/13/1019154313.db2.gz WJBASCSNQXQIKL-RYUDHWBXSA-N -1 0 324.377 -0.023 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)CC[C@H]2CCOC2)n1 ZINC001608303620 1019154346 /nfs/dbraw/zinc/15/43/46/1019154346.db2.gz GAAAAGORSNSTGF-JTQLQIEISA-N -1 0 308.338 -0.059 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)CCC(=O)c1ccccn1 ZINC001608300958 1019154718 /nfs/dbraw/zinc/15/47/18/1019154718.db2.gz QFICWWSJHFNLMJ-NSHDSACASA-N -1 0 317.305 -0.094 20 0 DBADRM O=C(CCCN1C(=O)CCC1=O)OCC(=O)C1(C(=O)[O-])CC1 ZINC001608304287 1019154789 /nfs/dbraw/zinc/15/47/89/1019154789.db2.gz JKJAAWVPKNVANY-UHFFFAOYSA-N -1 0 311.290 -0.107 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC001608298279 1019155917 /nfs/dbraw/zinc/15/59/17/1019155917.db2.gz DBUKBEQYOPXCTQ-JTQLQIEISA-N -1 0 323.301 -0.018 20 0 DBADRM O=C([O-])C12CCC(CC1)N2C(=O)C[C@H]1CNCCS1(=O)=O ZINC001608297473 1019155990 /nfs/dbraw/zinc/15/59/90/1019155990.db2.gz RFJFRRQRKYEZPY-QUNCOHTASA-N -1 0 316.379 -0.629 20 0 DBADRM O=C([O-])c1nccc(NCCNC(=O)CC[C@@H]2CCOC2)n1 ZINC001608303621 1019156021 /nfs/dbraw/zinc/15/60/21/1019156021.db2.gz GAAAAGORSNSTGF-SNVBAGLBSA-N -1 0 308.338 -0.059 20 0 DBADRM O=C(CCN1CCOC1=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001608309104 1019156070 /nfs/dbraw/zinc/15/60/70/1019156070.db2.gz IDOVPOXGENYRFD-VIFPVBQESA-N -1 0 316.310 -0.449 20 0 DBADRM O=C([O-])[C@]12CN(C(=O)CCN3CCOCC3)C[C@H]1COCC2 ZINC001608309089 1019156320 /nfs/dbraw/zinc/15/63/20/1019156320.db2.gz HWTPHYIHURBOHI-SWLSCSKDSA-N -1 0 312.366 -0.342 20 0 DBADRM O=C([O-])c1ncoc1CNC(=O)CCCN1C(=O)CCC1=O ZINC001608304059 1019156343 /nfs/dbraw/zinc/15/63/43/1019156343.db2.gz BDNCABJIHRFDNU-UHFFFAOYSA-N -1 0 309.278 -0.082 20 0 DBADRM O=C([O-])c1nccc(NC(=O)CCCN2C(=O)CCC2=O)n1 ZINC001608304687 1019156383 /nfs/dbraw/zinc/15/63/83/1019156383.db2.gz UOMWAUUZASAXSQ-UHFFFAOYSA-N -1 0 306.278 -0.536 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)CCC(=O)c1ccccn1 ZINC001608300957 1019156738 /nfs/dbraw/zinc/15/67/38/1019156738.db2.gz QFICWWSJHFNLMJ-LLVKDONJSA-N -1 0 317.305 -0.094 20 0 DBADRM O=C(CCN1CCOC1=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001608309099 1019156779 /nfs/dbraw/zinc/15/67/79/1019156779.db2.gz HZJCMNMRHBKUIP-NXEZZACHSA-N -1 0 300.311 -0.033 20 0 DBADRM O=C(CN1C(=O)CNC1=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001608325834 1019157672 /nfs/dbraw/zinc/15/76/72/1019157672.db2.gz AFCCIVMONRTNCX-SNVBAGLBSA-N -1 0 311.338 -0.065 20 0 DBADRM O=C([O-])c1ncoc1CCC(=O)NC[C@@H]1CCCS1(=O)=O ZINC001608322614 1019157852 /nfs/dbraw/zinc/15/78/52/1019157852.db2.gz TYMZTORFQLAPQQ-QMMMGPOBSA-N -1 0 316.335 -0.001 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCCCc1c[nH][nH]c1=O ZINC001608313269 1019157898 /nfs/dbraw/zinc/15/78/98/1019157898.db2.gz FKSHRQHJRAUMQN-GARJFASQSA-N -1 0 311.338 -0.116 20 0 DBADRM O=C([O-])[C@@H](CCF)NC(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC001608320876 1019158700 /nfs/dbraw/zinc/15/87/00/1019158700.db2.gz HVUDGQCNXGIEPT-ZCFIWIBFSA-N -1 0 312.261 -0.284 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)CCc2nc3ccccc3oc2=O)C1 ZINC001608322414 1019158890 /nfs/dbraw/zinc/15/88/90/1019158890.db2.gz HAWFKOAHZNRVIP-UHFFFAOYSA-N -1 0 318.285 -0.222 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)CCn1nnc2ccccc2c1=O ZINC001608324845 1019159504 /nfs/dbraw/zinc/15/95/04/1019159504.db2.gz CNAATEKVTFJISB-VIFPVBQESA-N -1 0 308.269 -0.280 20 0 DBADRM O=C([O-])[C@H](NC(=O)CCn1cnccc1=O)c1ccccn1 ZINC001608325530 1019160133 /nfs/dbraw/zinc/16/01/33/1019160133.db2.gz ZZTHCJCVSWZUDZ-CYBMUJFWSA-N -1 0 302.290 -0.030 20 0 DBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1 ZINC001608328249 1019161208 /nfs/dbraw/zinc/16/12/08/1019161208.db2.gz QEYZLJQEAYHJAW-HCVXBBIZSA-N -1 0 322.317 -0.968 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(CC(=O)NCC(=O)c2ccccc2)C1 ZINC001608327433 1019161248 /nfs/dbraw/zinc/16/12/48/1019161248.db2.gz PFWSDQRKWKLJCU-OAHLLOKOSA-N -1 0 306.318 -0.493 20 0 DBADRM O=C(CN1C(=O)CCC1=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC001608325903 1019161476 /nfs/dbraw/zinc/16/14/76/1019161476.db2.gz CJQFEGPQAQNTPI-JTQLQIEISA-N -1 0 312.322 -0.479 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(CC(=O)Nc3cccnn3)C2)C1 ZINC001608329510 1019161752 /nfs/dbraw/zinc/16/17/52/1019161752.db2.gz SBURMWKPCGFBIH-ZDUSSCGKSA-N -1 0 305.294 -0.280 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC001608327000 1019161986 /nfs/dbraw/zinc/16/19/86/1019161986.db2.gz JWNAQADMJRKPOU-MLGOLLRUSA-N -1 0 320.345 -0.372 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)NC[C@H]2CCCC[C@@H]2O)C1=O ZINC001608330072 1019162447 /nfs/dbraw/zinc/16/24/47/1019162447.db2.gz MAXLEWSUDWHPGT-UTUOFQBUSA-N -1 0 312.366 -0.023 20 0 DBADRM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2nnc3ccccn32)C1=O ZINC001608332679 1019163601 /nfs/dbraw/zinc/16/36/01/1019163601.db2.gz LPGJTZMBPFPGNU-SECBINFHSA-N -1 0 317.305 -0.009 20 0 DBADRM O=C([O-])c1ccn(CC(=O)NCC(=O)NCC(F)(F)F)n1 ZINC001608337292 1019163891 /nfs/dbraw/zinc/16/38/91/1019163891.db2.gz BQBHDFPDPKXQKO-UHFFFAOYSA-N -1 0 308.216 -0.624 20 0 DBADRM O=C(C[N@H+]1CCSC[C@@H](C(=O)[O-])C1)NC(=O)NC1CC1 ZINC001608335958 1019164299 /nfs/dbraw/zinc/16/42/99/1019164299.db2.gz KOXOFRNXMJHTJG-QMMMGPOBSA-N -1 0 301.368 -0.276 20 0 DBADRM O=C([O-])c1cccc(C(=O)COC(=O)CN2CCOCC2=O)c1 ZINC001608336058 1019164926 /nfs/dbraw/zinc/16/49/26/1019164926.db2.gz NVJBIPNRPGLMRR-UHFFFAOYSA-N -1 0 321.285 -0.031 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)COc1ccccc1 ZINC001608350215 1019166004 /nfs/dbraw/zinc/16/60/04/1019166004.db2.gz IPUZDUIHSNEIMO-PWSUYJOCSA-N -1 0 322.317 -0.772 20 0 DBADRM O=C([O-])c1ncoc1CNC(=O)CNC(=O)c1ccncc1 ZINC001608340240 1019166075 /nfs/dbraw/zinc/16/60/75/1019166075.db2.gz JSUYINLMOOQROA-UHFFFAOYSA-N -1 0 304.262 -0.186 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N[C@]1(CCO)CCOC1 ZINC001608348079 1019166454 /nfs/dbraw/zinc/16/64/54/1019166454.db2.gz HSOUJGMJBWFWAV-CYBMUJFWSA-N -1 0 314.294 -0.453 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)N[C@@H]1CCCCNC1=O ZINC001608348363 1019166471 /nfs/dbraw/zinc/16/64/71/1019166471.db2.gz MVZSVLNLRPZQRS-MRVPVSSYSA-N -1 0 311.294 -0.326 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)COc1ccc(Br)cn1 ZINC001608349926 1019166521 /nfs/dbraw/zinc/16/65/21/1019166521.db2.gz RHHJXJYGRDGANY-ZETCQYMHSA-N -1 0 319.111 -0.215 20 0 DBADRM O=C([O-])C1(NC(=O)CNC(=O)c2cccc(O)c2)CC(CO)C1 ZINC001608338623 1019166582 /nfs/dbraw/zinc/16/65/82/1019166582.db2.gz OTCWDIAADUKGTC-UHFFFAOYSA-N -1 0 322.317 -0.536 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)CNC(=O)c1ccsc1 ZINC001608339881 1019167103 /nfs/dbraw/zinc/16/71/03/1019167103.db2.gz FSNMPXKDUMKHEH-JTQLQIEISA-N -1 0 322.346 -0.056 20 0 DBADRM O=C([O-])c1ncoc1COCC(=O)NC[C@H](O)[C@H]1CCCO1 ZINC001608348514 1019167789 /nfs/dbraw/zinc/16/77/89/1019167789.db2.gz SQGFVROOTMDHBR-DTWKUNHWSA-N -1 0 314.294 -0.455 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)Cc3cc[nH]n3)C2)n1 ZINC001608369048 1019169971 /nfs/dbraw/zinc/16/99/71/1019169971.db2.gz ARMRYRMYVHTDAV-JTQLQIEISA-N -1 0 316.321 -0.165 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001608371607 1019172439 /nfs/dbraw/zinc/17/24/39/1019172439.db2.gz OHWPBIGDCIKAQT-UTINFBMNSA-N -1 0 306.322 -0.564 20 0 DBADRM O=C([O-])c1cn(CC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)nn1 ZINC001608375345 1019173015 /nfs/dbraw/zinc/17/30/15/1019173015.db2.gz CJLKZULSEVUHNW-NOZJJQNGSA-N -1 0 310.310 -0.569 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)Cc1csc(N2CCOCC2)n1 ZINC001608372036 1019173399 /nfs/dbraw/zinc/17/33/99/1019173399.db2.gz FBZHPIREGXWGLW-SECBINFHSA-N -1 0 315.351 -0.916 20 0 DBADRM O=C([O-])C1(NC(=O)Cn2nc3cnccn3c2=O)CCCCC1 ZINC001608382920 1019176579 /nfs/dbraw/zinc/17/65/79/1019176579.db2.gz OZROMXXLGSPPEV-UHFFFAOYSA-N -1 0 319.321 -0.205 20 0 DBADRM O=C([O-])c1ccc(NC(=O)Cn2ncn3nccc3c2=O)nc1 ZINC001608381454 1019176695 /nfs/dbraw/zinc/17/66/95/1019176695.db2.gz LHJDKXPTLRNRMY-UHFFFAOYSA-N -1 0 314.261 -0.377 20 0 DBADRM O=C([O-])[C@@H](NC(=O)Cn1ncnn1)c1ccc2c(c1)CCO2 ZINC001608381110 1019176890 /nfs/dbraw/zinc/17/68/90/1019176890.db2.gz COUIMLZPWLUNNN-LBPRGKRZSA-N -1 0 303.278 -0.450 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001608404239 1019178067 /nfs/dbraw/zinc/17/80/67/1019178067.db2.gz XYERTYWMORRYMX-JQWIXIFHSA-N -1 0 301.306 -0.343 20 0 DBADRM O=C([O-])[C@]1(NC(=O)c2coc3c2C(=O)NCCC3)CCOC1 ZINC001608405023 1019178135 /nfs/dbraw/zinc/17/81/35/1019178135.db2.gz FKYUUMZJLLEZLG-AWEZNQCLSA-N -1 0 308.290 -0.071 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)c1cnc2cccnn21 ZINC001608402902 1019178440 /nfs/dbraw/zinc/17/84/40/1019178440.db2.gz KXRVGYKBFGAJIW-SECBINFHSA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001608404324 1019178517 /nfs/dbraw/zinc/17/85/17/1019178517.db2.gz ZBFLVRWEIIHDKL-SNVBAGLBSA-N -1 0 316.277 -0.257 20 0 DBADRM O=C([O-])C1(NC(=O)c2ccnc3[nH]c(=O)[nH]c32)CC(CO)C1 ZINC001608403547 1019179961 /nfs/dbraw/zinc/17/99/61/1019179961.db2.gz GBIVYTVBDTYUJF-UHFFFAOYSA-N -1 0 306.278 -0.381 20 0 DBADRM O=C([O-])[C@@H](Cn1ccnc1)NC(=O)C1CCS(=O)(=O)CC1 ZINC001608402238 1019180470 /nfs/dbraw/zinc/18/04/70/1019180470.db2.gz HGOQAYMLEUQWQW-SNVBAGLBSA-N -1 0 315.351 -0.723 20 0 DBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)C(=O)NC3CCC3)C2)nn1 ZINC001608409424 1019181528 /nfs/dbraw/zinc/18/15/28/1019181528.db2.gz QPOADJZBNQJBQN-JTQLQIEISA-N -1 0 321.337 -0.192 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@H](NC(=O)c3ccnnc3)C2)n1 ZINC001608413563 1019182354 /nfs/dbraw/zinc/18/23/54/1019182354.db2.gz YRDHZAKRIBTBHG-JTQLQIEISA-N -1 0 314.305 -0.027 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N[C@@H]2CCCC23CC3)C1 ZINC001608408794 1019182575 /nfs/dbraw/zinc/18/25/75/1019182575.db2.gz CMLHDWWVIGSCON-OUAUKWLOSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2cnon2)CC1 ZINC001608409777 1019183086 /nfs/dbraw/zinc/18/30/86/1019183086.db2.gz GFIMCYVPWFWGLN-IUCAKERBSA-N -1 0 308.294 -0.489 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccccc2)C1 ZINC001608430919 1019184307 /nfs/dbraw/zinc/18/43/07/1019184307.db2.gz QULMSOXRDZJBQN-NWDGAFQWSA-N -1 0 318.329 -0.290 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2ccn[nH]2)CCC1 ZINC001608429827 1019184442 /nfs/dbraw/zinc/18/44/42/1019184442.db2.gz FXMQCZUDVHZKEZ-IUCAKERBSA-N -1 0 306.322 -0.101 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)CNC(=O)c2ccncc2)C1 ZINC001608415105 1019185048 /nfs/dbraw/zinc/18/50/48/1019185048.db2.gz AFIZQCNRKBRIEW-WDEREUQCSA-N -1 0 307.306 -0.895 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC001608415660 1019185201 /nfs/dbraw/zinc/18/52/01/1019185201.db2.gz NDGVZBKWDIDHEK-CQSZACIVSA-N -1 0 310.281 -0.397 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C1CCS(=O)(=O)CC1)[C@H]1CCOC1 ZINC001608419719 1019185597 /nfs/dbraw/zinc/18/55/97/1019185597.db2.gz YDEIKIIRMAVPAR-WDEREUQCSA-N -1 0 319.379 -0.335 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccccc2)C1 ZINC001608430920 1019185941 /nfs/dbraw/zinc/18/59/41/1019185941.db2.gz QULMSOXRDZJBQN-RYUDHWBXSA-N -1 0 318.329 -0.290 20 0 DBADRM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@@H](O)[C@H]2CCCO2)n1 ZINC001608425106 1019186038 /nfs/dbraw/zinc/18/60/38/1019186038.db2.gz SCRXFAOYZJCWIN-NXEZZACHSA-N -1 0 323.305 -0.626 20 0 DBADRM O=C([O-])c1cc(C(=O)NCC2(OCCO)CCOCC2)no1 ZINC001608429070 1019186144 /nfs/dbraw/zinc/18/61/44/1019186144.db2.gz MMCLUFDPDQLCAO-UHFFFAOYSA-N -1 0 314.294 -0.339 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ccn[nH]2)CCC1 ZINC001608429825 1019186337 /nfs/dbraw/zinc/18/63/37/1019186337.db2.gz FXMQCZUDVHZKEZ-BDAKNGLRSA-N -1 0 306.322 -0.101 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@@H]2CCC=CO2)C1 ZINC001608435064 1019187458 /nfs/dbraw/zinc/18/74/58/1019187458.db2.gz JGWDQRZQNCKOOK-DCAQKATOSA-N -1 0 312.322 -0.911 20 0 DBADRM O=C([O-])[C@H](CNC(=O)C(=O)NCC1CC1)Cc1ccncc1 ZINC001608433056 1019188327 /nfs/dbraw/zinc/18/83/27/1019188327.db2.gz PZFOUYHGHINZKK-LBPRGKRZSA-N -1 0 305.334 -0.033 20 0 DBADRM O=C([O-])C1=CC[C@H](NC(=O)NCCC(=O)N2CCOCC2)C1 ZINC001608436378 1019188443 /nfs/dbraw/zinc/18/84/43/1019188443.db2.gz DABDQJBTZBCEPP-NSHDSACASA-N -1 0 311.338 -0.292 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC=C(CNC(=O)c2nnc[nH]2)CC1 ZINC001608432376 1019188467 /nfs/dbraw/zinc/18/84/67/1019188467.db2.gz LGDAEQBROZSAIY-UWVGGRQHSA-N -1 0 319.321 -0.586 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CC1(F)F ZINC001608438846 1019188574 /nfs/dbraw/zinc/18/85/74/1019188574.db2.gz LVDHRZABXVHPHL-IWSPIJDZSA-N -1 0 320.292 -0.246 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001608432381 1019188785 /nfs/dbraw/zinc/18/87/85/1019188785.db2.gz LUSPCZSXUAQTJV-ZIQFBCGOSA-N -1 0 310.350 -0.103 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@@]23COCCN2C(=O)COC3)c[nH]1 ZINC001608431722 1019188994 /nfs/dbraw/zinc/18/89/94/1019188994.db2.gz CCHUKZPVXAFLGY-AWEZNQCLSA-N -1 0 323.305 -0.930 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC001608554456 1019204091 /nfs/dbraw/zinc/20/40/91/1019204091.db2.gz QGKWYMBQBJGIQD-NXEZZACHSA-N -1 0 305.352 -0.752 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NCCSCC(F)(F)F ZINC001608450102 1019191342 /nfs/dbraw/zinc/19/13/42/1019191342.db2.gz LVONOEUFXRDXFF-YFKPBYRVSA-N -1 0 320.264 -0.063 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2csnn2)C1 ZINC001608439919 1019191580 /nfs/dbraw/zinc/19/15/80/1019191580.db2.gz ZLBZGXWWVKVUJR-YUMQZZPRSA-N -1 0 310.335 -0.553 20 0 DBADRM O=C([O-])c1nccc(NCCCNC(=O)c2cnsn2)n1 ZINC001608444451 1019191606 /nfs/dbraw/zinc/19/16/06/1019191606.db2.gz FGXACJKWMNSYPV-UHFFFAOYSA-N -1 0 308.323 -0.320 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)NC[C@@H]1C[C@H]1C(F)(F)F ZINC001608456805 1019192146 /nfs/dbraw/zinc/19/21/46/1019192146.db2.gz CRBFSLNDGTXLAT-JKUQZMGJSA-N -1 0 300.208 -0.160 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)[C@H]1COCCN1CC(F)(F)F ZINC001608456923 1019192224 /nfs/dbraw/zinc/19/22/24/1019192224.db2.gz FGLKLSUBLMMKLA-NKWVEPMBSA-N -1 0 302.224 -0.212 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC001608457244 1019192540 /nfs/dbraw/zinc/19/25/40/1019192540.db2.gz INTVSVSIAOQYEN-GARJFASQSA-N -1 0 316.329 -0.057 20 0 DBADRM O=C([O-])[C@@H](F)CNC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC001608456768 1019192963 /nfs/dbraw/zinc/19/29/63/1019192963.db2.gz BKRZCCQERBVJQL-UTINFBMNSA-N -1 0 314.313 -0.401 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001608460247 1019193015 /nfs/dbraw/zinc/19/30/15/1019193015.db2.gz FBJKEGKOQHJDIN-FRRDWIJNSA-N -1 0 323.393 -0.090 20 0 DBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(=O)N1CCOC[C@H]1C1CC1)C2 ZINC001608491973 1019195365 /nfs/dbraw/zinc/19/53/65/1019195365.db2.gz QDZRZEGJKXDITN-YRORDHRNSA-N -1 0 322.361 -0.007 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)c2ccncn2)C1 ZINC001608492048 1019195421 /nfs/dbraw/zinc/19/54/21/1019195421.db2.gz SELOLZLZSRMDAP-YTWAJWBKSA-N -1 0 318.333 -0.178 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC001608487443 1019196127 /nfs/dbraw/zinc/19/61/27/1019196127.db2.gz IFJSJMHGUSDUIB-WDEREUQCSA-N -1 0 310.350 -0.271 20 0 DBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1cccc(Nc2nn[nH]n2)c1 ZINC001608488904 1019197057 /nfs/dbraw/zinc/19/70/57/1019197057.db2.gz YIZJQZCKWDLDDK-VHSXEESVSA-N -1 0 318.293 -0.085 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001608491658 1019197323 /nfs/dbraw/zinc/19/73/23/1019197323.db2.gz LZNWQVGDJLLXAQ-KZVJFYERSA-N -1 0 320.305 -0.720 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2C[C@H](NC(=O)c3cn[nH]n3)C2)n1 ZINC001608492005 1019197495 /nfs/dbraw/zinc/19/74/95/1019197495.db2.gz RPHCFDISAJLYCT-KNVOCYPGSA-N -1 0 303.282 -0.912 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)C(=O)N3CCC[C@@H]3CO)[C@@H]2C1 ZINC001608492669 1019198587 /nfs/dbraw/zinc/19/85/87/1019198587.db2.gz ONPSXMRMEZOFBP-ROHXPCBUSA-N -1 0 310.350 -0.415 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@@H](O)Cc1ccccc1 ZINC001608543320 1019199488 /nfs/dbraw/zinc/19/94/88/1019199488.db2.gz LJYOBOKKKVQDJR-NEPJUHHUSA-N -1 0 304.306 -0.549 20 0 DBADRM O=C([O-])C12CC(C1)CN2C(=O)C(=O)Nc1cnn(CCF)c1 ZINC001608524944 1019199679 /nfs/dbraw/zinc/19/96/79/1019199679.db2.gz WYCGCTGGOKDDHI-UHFFFAOYSA-N -1 0 310.285 -0.133 20 0 DBADRM O=C([O-])[C@H](Cn1cncn1)NC(=O)C1(N2CCOCC2)CCC1 ZINC001608543272 1019200666 /nfs/dbraw/zinc/20/06/66/1019200666.db2.gz KMUIQHGIGSMPOT-NSHDSACASA-N -1 0 323.353 -0.898 20 0 DBADRM O=C([O-])[C@@H](CC1OCCO1)NS(=O)(=O)CCn1ccnc1 ZINC001608533300 1019201598 /nfs/dbraw/zinc/20/15/98/1019201598.db2.gz BFTYNUXPHCQXLA-SECBINFHSA-N -1 0 319.339 -0.981 20 0 DBADRM O=C([O-])[C@@H](CF)NS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC001608535772 1019201990 /nfs/dbraw/zinc/20/19/90/1019201990.db2.gz ZKRLGLSTPWSBJC-SECBINFHSA-N -1 0 315.286 -0.637 20 0 DBADRM O=C([O-])[C@@H](CNC(=O)[C@]1(O)CCOC1)Cc1ccc(O)cc1 ZINC001608535418 1019202483 /nfs/dbraw/zinc/20/24/83/1019202483.db2.gz KYIHLTBYBLNKJH-ABAIWWIYSA-N -1 0 309.318 -0.097 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)c2cc3n(n2)CCCO3)CC1 ZINC001608553514 1019203179 /nfs/dbraw/zinc/20/31/79/1019203179.db2.gz AGWRPEFTFLPRAH-LBPRGKRZSA-N -1 0 309.322 -0.037 20 0 DBADRM O=C([O-])C1(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001608564616 1019203201 /nfs/dbraw/zinc/20/32/01/1019203201.db2.gz BVTZQYGRZRYDMQ-JOYOIKCWSA-N -1 0 317.363 -0.296 20 0 DBADRM O=C([O-])C1(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001608569704 1019203362 /nfs/dbraw/zinc/20/33/62/1019203362.db2.gz NZMLXXHIJAAKEY-NSHDSACASA-N -1 0 302.396 -0.344 20 0 DBADRM O=C([O-])[C@@H](c1ccsc1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001608562825 1019203400 /nfs/dbraw/zinc/20/34/00/1019203400.db2.gz RMYIAPHRSXRSAT-NXEZZACHSA-N -1 0 317.392 -0.292 20 0 DBADRM O=C([O-])C1(C(=O)NN2CCS(=O)(=O)CC2)CC2(CCC2)C1 ZINC001608566586 1019203784 /nfs/dbraw/zinc/20/37/84/1019203784.db2.gz YEVHZMIJTCGNOC-UHFFFAOYSA-N -1 0 316.379 -0.217 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(Cc2nc3c(c(=O)[nH]2)COCC3)CC1 ZINC001608558183 1019203939 /nfs/dbraw/zinc/20/39/39/1019203939.db2.gz SIFSXFDHQVDPFP-CYBMUJFWSA-N -1 0 323.349 -0.088 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CC[C@@H](O)[C@@H](CO)C2)CCC1 ZINC001608570163 1019204558 /nfs/dbraw/zinc/20/45/58/1019204558.db2.gz FTKCQAMPDYIUBR-NXEZZACHSA-N -1 0 307.368 -0.754 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)CS(=O)(=O)C2CC2)CC1 ZINC001608555610 1019205035 /nfs/dbraw/zinc/20/50/35/1019205035.db2.gz XCIZKJLXXBTPJW-NSHDSACASA-N -1 0 305.352 -0.752 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC001608552637 1019205230 /nfs/dbraw/zinc/20/52/30/1019205230.db2.gz DKWFHOYLZMKROU-GXFFZTMASA-N -1 0 310.350 -0.319 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)C[C@H]2CCC3(CCC3)O2)C1 ZINC001608579457 1019209629 /nfs/dbraw/zinc/20/96/29/1019209629.db2.gz YDBUOWUJPZXSKA-ZWNOBZJWSA-N -1 0 319.379 -0.061 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CCCC3(C2)OCCO3)C1 ZINC001608587800 1019210965 /nfs/dbraw/zinc/21/09/65/1019210965.db2.gz WYFYDHCEZRJBLM-LLVKDONJSA-N -1 0 324.333 -0.359 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)CCCn3cncn3)C2)C1 ZINC001608590035 1019212206 /nfs/dbraw/zinc/21/22/06/1019212206.db2.gz UAGXQCJYCRQHDM-ZDUSSCGKSA-N -1 0 307.310 -0.110 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)CSc1cccc[n+]1[O-] ZINC001608594542 1019213703 /nfs/dbraw/zinc/21/37/03/1019213703.db2.gz FCVCHFLNLOJMGQ-CABZTGNLSA-N -1 0 312.347 -0.151 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)CN2Cc3ccccc3C2=O)C1 ZINC001608600982 1019216469 /nfs/dbraw/zinc/21/64/69/1019216469.db2.gz IFEJOQXNCVVDNO-NWDGAFQWSA-N -1 0 318.329 -0.064 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(CC(=O)N2CCC2)CC1 ZINC001608609663 1019217848 /nfs/dbraw/zinc/21/78/48/1019217848.db2.gz CKLFFNYGYZFVBV-NEPJUHHUSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)Cn2nnc3c2CCCC3)C1 ZINC001608603536 1019219844 /nfs/dbraw/zinc/21/98/44/1019219844.db2.gz YLNWOLRUIMEXPK-UWVGGRQHSA-N -1 0 308.338 -0.549 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(Cc2nc(C3CC3)no2)C1 ZINC001608610030 1019221346 /nfs/dbraw/zinc/22/13/46/1019221346.db2.gz FVSGMOSQMNJXKR-ZJUUUORDSA-N -1 0 306.322 -0.032 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2ccco2)C1 ZINC001608610699 1019221856 /nfs/dbraw/zinc/22/18/56/1019221856.db2.gz KSMOOTSSFYEQIM-GHMZBOCLSA-N -1 0 322.317 -0.768 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(C(=O)Cc2cccnc2)C1 ZINC001608610691 1019222774 /nfs/dbraw/zinc/22/27/74/1019222774.db2.gz KRTXYWJFRFYZLR-NEPJUHHUSA-N -1 0 303.318 -0.328 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2n[nH]cc2F)CC1 ZINC001608610219 1019222848 /nfs/dbraw/zinc/22/28/48/1019222848.db2.gz HCJMIXWPIAATJW-HTQZYQBOSA-N -1 0 310.285 -0.446 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001608610025 1019222952 /nfs/dbraw/zinc/22/29/52/1019222952.db2.gz FVAAYFHZJKNDGE-QWRGUYRKSA-N -1 0 320.349 -0.266 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2ccco2)C1 ZINC001608610701 1019223068 /nfs/dbraw/zinc/22/30/68/1019223068.db2.gz KSMOOTSSFYEQIM-QWRGUYRKSA-N -1 0 322.317 -0.768 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 ZINC001608610984 1019223244 /nfs/dbraw/zinc/22/32/44/1019223244.db2.gz MFUIFSSAZPTBJL-RYUDHWBXSA-N -1 0 319.317 -0.675 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccnnc3)C[C@H]21 ZINC001608610132 1019223401 /nfs/dbraw/zinc/22/34/01/1019223401.db2.gz HFNLOYDKJSBDAW-RNWYCLNJSA-N -1 0 316.317 -0.616 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CN(Cc2noc(C3CC3)n2)C1 ZINC001608611750 1019224773 /nfs/dbraw/zinc/22/47/73/1019224773.db2.gz RAQLTRMZUFZQGV-ZJUUUORDSA-N -1 0 306.322 -0.032 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]n1 ZINC001608611093 1019225194 /nfs/dbraw/zinc/22/51/94/1019225194.db2.gz NEERDDOXSQZTHN-RGOKHQFPSA-N -1 0 319.321 -0.659 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)CCc2nnc[nH]2)C1 ZINC001608611413 1019225620 /nfs/dbraw/zinc/22/56/20/1019225620.db2.gz PNVCTFORVOIVBY-UWVGGRQHSA-N -1 0 321.337 -0.967 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]2C(=O)N(CC[C@]3(O)CCOC3)C(=O)N2C1 ZINC001608620744 1019228211 /nfs/dbraw/zinc/22/82/11/1019228211.db2.gz RLYKGZDYPDXORA-RULNRJAQSA-N -1 0 312.322 -0.345 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2cnccn2)C1 ZINC001608612161 1019228627 /nfs/dbraw/zinc/22/86/27/1019228627.db2.gz SWMNSDPJTOQCAB-VHSXEESVSA-N -1 0 304.306 -0.615 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H]2C(=O)N(CC[C@]3(O)CCOC3)C(=O)N2C1 ZINC001608620741 1019228713 /nfs/dbraw/zinc/22/87/13/1019228713.db2.gz RLYKGZDYPDXORA-BFVZDQMLSA-N -1 0 312.322 -0.345 20 0 DBADRM O=C([O-])[C@H]1CC[C@H]2C(=O)N(CCNC(=O)C3CC3)C(=O)N2C1 ZINC001608621011 1019229135 /nfs/dbraw/zinc/22/91/35/1019229135.db2.gz XKXLCQFWBVTXRE-UWVGGRQHSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)CCn2cccn2)C1 ZINC001608612245 1019229600 /nfs/dbraw/zinc/22/96/00/1019229600.db2.gz UGABAWGZLPNMDM-NEPJUHHUSA-N -1 0 320.349 -0.432 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(Cc2nnnn2C2CC2)C1 ZINC001608612079 1019229616 /nfs/dbraw/zinc/22/96/16/1019229616.db2.gz SOASAPVBCVKNQL-NXEZZACHSA-N -1 0 306.326 -0.971 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCN1CCOCC1 ZINC001608624818 1019231178 /nfs/dbraw/zinc/23/11/78/1019231178.db2.gz MQRDCQPNVWYUNE-NEPJUHHUSA-N -1 0 320.411 -0.119 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CC[C@H](n3cccn3)C2)C1=O ZINC001608629788 1019231310 /nfs/dbraw/zinc/23/13/10/1019231310.db2.gz SCUMVBIRAJFZAT-RYUDHWBXSA-N -1 0 320.349 -0.020 20 0 DBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2C3CCC2(CO)CC3)C1=O ZINC001608628502 1019231450 /nfs/dbraw/zinc/23/14/50/1019231450.db2.gz DXLXEFZZSQFQKN-VTWZXRTESA-N -1 0 310.350 -0.175 20 0 DBADRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@H](O)[C@H](CO)C1 ZINC001608626200 1019232344 /nfs/dbraw/zinc/23/23/44/1019232344.db2.gz HIJPDXGGIFRELN-VLEAKVRGSA-N -1 0 307.368 -0.755 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c2ccccc21 ZINC001608641912 1019233583 /nfs/dbraw/zinc/23/35/83/1019233583.db2.gz CWYXSJXWEQGLJN-FMKGYKFTSA-N -1 0 319.313 -0.386 20 0 DBADRM O=C([O-])[C@@H]1CCN2C(=O)N([C@@H]3CC(=O)N(C4CC4)C3)C(=O)[C@H]2C1 ZINC001608640746 1019233774 /nfs/dbraw/zinc/23/37/74/1019233774.db2.gz ZDJCCEMLERSFFW-FBIMIBRVSA-N -1 0 321.333 -0.123 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1cc2n(n1)CCCC2 ZINC001608648277 1019235446 /nfs/dbraw/zinc/23/54/46/1019235446.db2.gz VMHHSSDLLGDSEX-LBPRGKRZSA-N -1 0 313.379 -0.097 20 0 DBADRM O=C([O-])[C@@H]1CSCCN(C(=O)CN2CCCNC2=O)C1 ZINC001608648203 1019235768 /nfs/dbraw/zinc/23/57/68/1019235768.db2.gz RSMIQHLJUDJAIN-VIFPVBQESA-N -1 0 301.368 -0.322 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1ncc[nH]1 ZINC001608647589 1019235908 /nfs/dbraw/zinc/23/59/08/1019235908.db2.gz HJUOBSUFYHAMLM-QMMMGPOBSA-N -1 0 301.324 -0.948 20 0 DBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1cn(-c2cccnc2)nn1 ZINC001608647377 1019236142 /nfs/dbraw/zinc/23/61/42/1019236142.db2.gz GAOZHORHLGVPIY-NSHDSACASA-N -1 0 303.278 -0.412 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)c1ccc(Cc2nnc[nH]2)cc1 ZINC001608675208 1019236862 /nfs/dbraw/zinc/23/68/62/1019236862.db2.gz HILDWJWNWHNHEG-LLVKDONJSA-N -1 0 304.306 -0.039 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)C(=O)Nc1ccc2c(n1)CCC2 ZINC001608675043 1019237033 /nfs/dbraw/zinc/23/70/33/1019237033.db2.gz AZFJSHSBMQWKAU-VIFPVBQESA-N -1 0 307.306 -0.539 20 0 DBADRM O=C([O-])C[C@@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CC1 ZINC001608664892 1019237079 /nfs/dbraw/zinc/23/70/79/1019237079.db2.gz NMLCFMTVXOSWRK-RWMBFGLXSA-N -1 0 323.393 -0.044 20 0 DBADRM O=C([O-])C[C@H](O)CNC(=O)Nc1cccnc1N1CCOCC1 ZINC001608675519 1019237898 /nfs/dbraw/zinc/23/78/98/1019237898.db2.gz LUTAHBXSOJAXHE-JTQLQIEISA-N -1 0 324.337 -0.125 20 0 DBADRM O=C([O-])C[C@H](CNC(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1)C1CC1 ZINC001608664765 1019238606 /nfs/dbraw/zinc/23/86/06/1019238606.db2.gz JGCOEOBPXXIZOT-JRPNMDOOSA-N -1 0 310.350 -0.413 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)c1cncc(N2CCCC2=O)c1 ZINC001608676072 1019239617 /nfs/dbraw/zinc/23/96/17/1019239617.db2.gz VIUDEQAIBHXSKY-LLVKDONJSA-N -1 0 307.306 -0.226 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC001608675548 1019239658 /nfs/dbraw/zinc/23/96/58/1019239658.db2.gz HXRVSTBPNONLAB-LLVKDONJSA-N -1 0 321.333 -0.149 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)CCNC(=O)Cc1ccccc1 ZINC001608676431 1019239878 /nfs/dbraw/zinc/23/98/78/1019239878.db2.gz SDXNQYQLERMGJT-GFCCVEGCSA-N -1 0 308.334 -0.313 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)C(=O)Nc2cncc(F)c2)CCOC1 ZINC001608682084 1019240548 /nfs/dbraw/zinc/24/05/48/1019240548.db2.gz DYIIPTQQFDEPLM-ZDUSSCGKSA-N -1 0 311.269 -0.091 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Nc1cccnc1-n1cncn1 ZINC001608676046 1019240612 /nfs/dbraw/zinc/24/06/12/1019240612.db2.gz URAAQJXKMSVOMX-MRVPVSSYSA-N -1 0 306.282 -0.381 20 0 DBADRM O=C([O-])C[C@@H](O)CNC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC001608675743 1019241273 /nfs/dbraw/zinc/24/12/73/1019241273.db2.gz KCAWSQSVZXQLFE-LLVKDONJSA-N -1 0 305.294 -0.843 20 0 DBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cn1cc(C2CC2)cn1 ZINC001608689318 1019243546 /nfs/dbraw/zinc/24/35/46/1019243546.db2.gz BHQJZINAEOQOFR-LLVKDONJSA-N -1 0 306.322 -0.438 20 0 DBADRM O=C([O-])CC1CC(NC(=O)N2C[C@H](CO)[C@H](CCO)C2)C1 ZINC001608691810 1019243787 /nfs/dbraw/zinc/24/37/87/1019243787.db2.gz WEKXYBSHANETJN-BFUDSRACSA-N -1 0 300.355 -0.128 20 0 DBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)COc1ccc(CO)cc1 ZINC001608690077 1019244196 /nfs/dbraw/zinc/24/41/96/1019244196.db2.gz XRRFYZWNGLDIOM-LBPRGKRZSA-N -1 0 322.317 -0.641 20 0 DBADRM O=C([O-])CC1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC001608697177 1019245491 /nfs/dbraw/zinc/24/54/91/1019245491.db2.gz OFULNGZUBFVGKJ-XQQFMLRXSA-N -1 0 324.377 -0.071 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCCO2)CCO1 ZINC001608698452 1019245510 /nfs/dbraw/zinc/24/55/10/1019245510.db2.gz FABSQQGOIGPVGE-MNOVXSKESA-N -1 0 314.338 -0.626 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC001608698726 1019245534 /nfs/dbraw/zinc/24/55/34/1019245534.db2.gz MMKMXXYRWKZIAM-AXFHLTTASA-N -1 0 312.322 -0.922 20 0 DBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC001608694944 1019246314 /nfs/dbraw/zinc/24/63/14/1019246314.db2.gz FYSBHJHPSRLCIH-NSHDSACASA-N -1 0 323.349 -0.715 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC001608699322 1019246472 /nfs/dbraw/zinc/24/64/72/1019246472.db2.gz JPHHFOLAUIPXAI-QWRGUYRKSA-N -1 0 319.379 -0.097 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1Cc1cc[nH]c(=O)c1 ZINC001608702813 1019247545 /nfs/dbraw/zinc/24/75/45/1019247545.db2.gz AHMGLKLMNGYXFL-JTQLQIEISA-N -1 0 300.336 -0.139 20 0 DBADRM O=C([O-])COCCOCCNC(=O)NCC1CCC(O)CC1 ZINC001574729927 1019247793 /nfs/dbraw/zinc/24/77/93/1019247793.db2.gz LGFGYNVZQMAPFO-UHFFFAOYSA-N -1 0 318.370 -0.046 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)CCc1ncc[nH]1 ZINC001608703373 1019247889 /nfs/dbraw/zinc/24/78/89/1019247889.db2.gz SSPZQEDZGIJGGZ-VIFPVBQESA-N -1 0 315.351 -0.557 20 0 DBADRM O=C([O-])C[C@H]1COCCN1C(=O)c1cccc(-n2cncn2)n1 ZINC001608701271 1019248245 /nfs/dbraw/zinc/24/82/45/1019248245.db2.gz VCUGLOMJNIKBRM-JTQLQIEISA-N -1 0 317.305 -0.022 20 0 DBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)C12CCN(CC1)C2 ZINC001608702413 1019248597 /nfs/dbraw/zinc/24/85/97/1019248597.db2.gz MMKNNUSGUQVXPM-JTQLQIEISA-N -1 0 316.379 -0.818 20 0 DBADRM O=C([O-])CCCCNC(=O)C(=O)N[C@H]1CCn2ccnc2C1 ZINC001608712625 1019249146 /nfs/dbraw/zinc/24/91/46/1019249146.db2.gz FDYVGCTUJWHQAW-JTQLQIEISA-N -1 0 308.338 -0.315 20 0 DBADRM O=C([O-])CCCCNC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001608713137 1019250020 /nfs/dbraw/zinc/25/00/20/1019250020.db2.gz UWQAGSUEBUAIFB-QMMMGPOBSA-N -1 0 311.298 -0.629 20 0 DBADRM O=C([O-])CCCNC(=S)NCCS(=O)(=O)NC1CC1 ZINC001608715045 1019250517 /nfs/dbraw/zinc/25/05/17/1019250517.db2.gz NBRDPDYIUJVCDR-UHFFFAOYSA-N -1 0 309.413 -0.603 20 0 DBADRM O=C([O-])CCCNC(=S)NC[C@H](O)CN1CCCC1=O ZINC001608714807 1019250922 /nfs/dbraw/zinc/25/09/22/1019250922.db2.gz AIODEOPZRRHWGO-VIFPVBQESA-N -1 0 303.384 -0.701 20 0 DBADRM O=C([O-])CCN(Cc1ccncc1)C(=O)CCn1cnnn1 ZINC001608722419 1019251018 /nfs/dbraw/zinc/25/10/18/1019251018.db2.gz CAYJGHVRNOPPMC-UHFFFAOYSA-N -1 0 304.310 -0.038 20 0 DBADRM O=C([O-])CCN(C(=O)[C@@H]1CSCC(=O)N1)C1CCOCC1 ZINC001608720684 1019251084 /nfs/dbraw/zinc/25/10/84/1019251084.db2.gz VBFCCWDDCKXGRX-JTQLQIEISA-N -1 0 316.379 -0.300 20 0 DBADRM O=C([O-])CCN1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)CC1 ZINC001608726085 1019252931 /nfs/dbraw/zinc/25/29/31/1019252931.db2.gz AGZXNXOLMSJWCC-QJPTWQEYSA-N -1 0 318.395 -0.272 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)CC1(O)CCOCC1 ZINC001608727400 1019253664 /nfs/dbraw/zinc/25/36/64/1019253664.db2.gz OREUYMRZOJRXFE-UHFFFAOYSA-N -1 0 302.327 -0.985 20 0 DBADRM O=C([O-])CCN1CC[C@@H](N2CC[C@H]3COC(=O)N[C@@H]3C2)C1=O ZINC001608723441 1019253740 /nfs/dbraw/zinc/25/37/40/1019253740.db2.gz PMLAFFYOFBRNNY-HBNTYKKESA-N -1 0 311.338 -0.508 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CC([C@@H]2CCOC2)C1 ZINC001608727271 1019253925 /nfs/dbraw/zinc/25/39/25/1019253925.db2.gz KDAWDSSWKWVDBH-SNVBAGLBSA-N -1 0 313.354 -0.355 20 0 DBADRM O=C([O-])CCNC(=O)CCNC(=O)N1CCc2ncncc2C1 ZINC001608727479 1019254223 /nfs/dbraw/zinc/25/42/23/1019254223.db2.gz RMFQPSWWBXJNGB-UHFFFAOYSA-N -1 0 321.337 -0.475 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCS(=O)(=O)CCO2)O1 ZINC001608736030 1019256579 /nfs/dbraw/zinc/25/65/79/1019256579.db2.gz MJIYIKUGHVQIMO-VHSXEESVSA-N -1 0 321.351 -0.413 20 0 DBADRM O=C([O-])CC[C@H]1NC(=O)N(CCS(=O)(=O)CC2CC2)C1=O ZINC001608736826 1019257990 /nfs/dbraw/zinc/25/79/90/1019257990.db2.gz BFENBFUDQVNNGW-SECBINFHSA-N -1 0 318.351 -0.404 20 0 DBADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)O1 ZINC001608736036 1019258225 /nfs/dbraw/zinc/25/82/25/1019258225.db2.gz MTYJKBJONRNWTB-AXTSPUMRSA-N -1 0 310.306 -0.870 20 0 DBADRM O=C([O-])CN(C(=O)[C@@H]1CCC2N=NC(=O)N2C1)C1CCOCC1 ZINC001608742898 1019259008 /nfs/dbraw/zinc/25/90/08/1019259008.db2.gz LJEBAEWPXFKLKP-SECBINFHSA-N -1 0 324.337 -0.362 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)CCOCC(F)F ZINC001608750050 1019259361 /nfs/dbraw/zinc/25/93/61/1019259361.db2.gz DANNSUPVTWMILN-QMMMGPOBSA-N -1 0 308.281 -0.150 20 0 DBADRM O=C([O-])CN1CCN(C(=O)C2CCS(=O)(=O)CC2)CC1 ZINC001608749263 1019259760 /nfs/dbraw/zinc/25/97/60/1019259760.db2.gz VMRHTCAXHOZOJA-UHFFFAOYSA-N -1 0 304.368 -0.960 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CCCNC(=O)c1ccc(F)cc1 ZINC001574806120 1019260616 /nfs/dbraw/zinc/26/06/16/1019260616.db2.gz PXLOMMKWSQPIKV-NSHDSACASA-N -1 0 312.297 -0.103 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001574817612 1019262521 /nfs/dbraw/zinc/26/25/21/1019262521.db2.gz MYEHWKZZWRHBLF-ZETCQYMHSA-N -1 0 302.264 -0.743 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)C[C@H]1CCC(=O)NC1 ZINC001608750516 1019262679 /nfs/dbraw/zinc/26/26/79/1019262679.db2.gz LJXHYUXRNKGCNG-ZJUUUORDSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001574812245 1019262769 /nfs/dbraw/zinc/26/27/69/1019262769.db2.gz FTYBQPFFVUQIBJ-KCJUWKMLSA-N -1 0 310.281 -0.260 20 0 DBADRM O=C([O-])CNC(=O)CNS(=O)(=O)C[C@@H]1CCC2(CCC2)O1 ZINC001608752585 1019263334 /nfs/dbraw/zinc/26/33/34/1019263334.db2.gz DCCOUMMZOXZVGA-VIFPVBQESA-N -1 0 320.367 -0.792 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC001608752149 1019264421 /nfs/dbraw/zinc/26/44/21/1019264421.db2.gz MFNWTGIGBJDLTE-VIFPVBQESA-N -1 0 305.290 -0.571 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1ccccc1Cn1ccnn1 ZINC001608752613 1019264608 /nfs/dbraw/zinc/26/46/08/1019264608.db2.gz FPKHTBCKZRITKR-UHFFFAOYSA-N -1 0 317.305 -0.743 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)C[C@H]1CCC(=O)NC1 ZINC001608750513 1019264780 /nfs/dbraw/zinc/26/47/80/1019264780.db2.gz LJXHYUXRNKGCNG-NXEZZACHSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(O)cc1O ZINC001608750857 1019265039 /nfs/dbraw/zinc/26/50/39/1019265039.db2.gz PSAMGQQJNBHGNO-JTQLQIEISA-N -1 0 308.290 -0.097 20 0 DBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cn2c(n1)CCC2 ZINC001608751419 1019265254 /nfs/dbraw/zinc/26/52/54/1019265254.db2.gz PACNQORMHZROLT-JTQLQIEISA-N -1 0 306.322 -0.365 20 0 DBADRM O=C([O-])COCCNC(=O)C(=O)Nc1ccc2c(c1)COC2 ZINC001608756993 1019266239 /nfs/dbraw/zinc/26/62/39/1019266239.db2.gz PANAWTMQQRWPCC-UHFFFAOYSA-N -1 0 308.290 -0.127 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc(-n2ccnc2)ccc1O ZINC001608752994 1019267006 /nfs/dbraw/zinc/26/70/06/1019267006.db2.gz DXEIABPLZHJNRB-UHFFFAOYSA-N -1 0 318.289 -0.492 20 0 DBADRM O=C([O-])CNC(=O)CNC(=O)c1cc(Br)co1 ZINC001608753012 1019267663 /nfs/dbraw/zinc/26/76/63/1019267663.db2.gz FDETXNYGWBSHKR-UHFFFAOYSA-N -1 0 305.084 -0.027 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N[C@H]2CCNC2=O)cc1 ZINC001608759974 1019269572 /nfs/dbraw/zinc/26/95/72/1019269572.db2.gz JZPRZRYFPDNFML-JTQLQIEISA-N -1 0 321.289 -0.907 20 0 DBADRM O=C([O-])COc1ccc(C(=O)NC[C@]2(CO)COCCN2)cc1 ZINC001608758416 1019270032 /nfs/dbraw/zinc/27/00/32/1019270032.db2.gz ZVUVHNJTFNMMBW-HNNXBMFYSA-N -1 0 324.333 -0.769 20 0 DBADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC001608771634 1019270207 /nfs/dbraw/zinc/27/02/07/1019270207.db2.gz DWMXBMPQCQACLH-WYUUTHIRSA-N -1 0 310.350 -0.149 20 0 DBADRM O=C([O-])COCCNC(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC001608757712 1019271739 /nfs/dbraw/zinc/27/17/39/1019271739.db2.gz WKDPAWSZFAXTLC-SECBINFHSA-N -1 0 308.356 -0.788 20 0 DBADRM O=C([O-])COc1cccc(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)c1 ZINC001608764033 1019272155 /nfs/dbraw/zinc/27/21/55/1019272155.db2.gz ZRBOICDYBAYKBN-JTQLQIEISA-N -1 0 321.289 -0.636 20 0 DBADRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)CN1CCNC(=O)C1 ZINC001608774075 1019272300 /nfs/dbraw/zinc/27/23/00/1019272300.db2.gz CWJOCONCKUYEIR-ZDUSSCGKSA-N -1 0 319.361 -0.380 20 0 DBADRM O=C([O-])CSCCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001608767504 1019272453 /nfs/dbraw/zinc/27/24/53/1019272453.db2.gz SMBJERLSALYWFE-MRVPVSSYSA-N -1 0 312.351 -0.303 20 0 DBADRM O=C([O-])COc1ccc(NC(=O)NCC(=O)NCCO)cc1 ZINC001608761563 1019272496 /nfs/dbraw/zinc/27/24/96/1019272496.db2.gz NVCUPZXYSHNNBZ-UHFFFAOYSA-N -1 0 311.294 -0.620 20 0 DBADRM O=C([O-])Cn1cc(CCN2CCOC[C@H]2[C@H]2CCCC2=O)nn1 ZINC001608796607 1019273195 /nfs/dbraw/zinc/27/31/95/1019273195.db2.gz HDODJYMSMVJBJO-OLZOCXBDSA-N -1 0 322.365 -0.025 20 0 DBADRM O=C([O-])Cn1cc(CN[C@H]2CCN(CC(F)(F)F)C2=O)nn1 ZINC001608797642 1019273379 /nfs/dbraw/zinc/27/33/79/1019273379.db2.gz RASKRNCRYYMTJI-QMMMGPOBSA-N -1 0 321.259 -0.385 20 0 DBADRM O=C([O-])Cn1cc(CCN2CCO[C@H]([C@H]3CCCO3)C2)nn1 ZINC001608796713 1019273505 /nfs/dbraw/zinc/27/35/05/1019273505.db2.gz NAMUSWMYCWFCOG-OLZOCXBDSA-N -1 0 310.354 -0.215 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)N2C[C@H](O)[C@H](CO)C2)n1 ZINC001608792535 1019274156 /nfs/dbraw/zinc/27/41/56/1019274156.db2.gz LRVWZRXWIMSACR-XPUUQOCRSA-N -1 0 301.324 -0.413 20 0 DBADRM O=C([O-])Cn1cc(CCCOC(=O)[C@@]2(F)CCOC2)nn1 ZINC001608796243 1019274260 /nfs/dbraw/zinc/27/42/60/1019274260.db2.gz LKCXYPHKHNTRNV-GFCCVEGCSA-N -1 0 301.274 -0.033 20 0 DBADRM O=C([O-])Cn1cc(CCN2C(=O)NC3(CCOCC3)C2=O)nn1 ZINC001608796448 1019274824 /nfs/dbraw/zinc/27/48/24/1019274824.db2.gz XJXHKBIXKOFJOG-UHFFFAOYSA-N -1 0 323.309 -0.994 20 0 DBADRM O=C([O-])Cc1csc(NC(=O)CN2CCn3nncc3C2)n1 ZINC001608792204 1019276133 /nfs/dbraw/zinc/27/61/33/1019276133.db2.gz UNJGUUGPXUFTHM-UHFFFAOYSA-N -1 0 322.350 -0.184 20 0 DBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCn3cncc3C2)cn1 ZINC001608798153 1019276849 /nfs/dbraw/zinc/27/68/49/1019276849.db2.gz MXVBSSREVVMZJR-UHFFFAOYSA-N -1 0 311.323 -0.631 20 0 DBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)C[C@H]1C1CC1 ZINC001608805903 1019277741 /nfs/dbraw/zinc/27/77/41/1019277741.db2.gz PXYBENBTQBKZDU-JBBSTSQOSA-N -1 0 322.361 -0.604 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)c2cnc3n(c2=O)CCS3)n1 ZINC001608799572 1019277933 /nfs/dbraw/zinc/27/79/33/1019277933.db2.gz UTUAGCXMAVNVQB-UHFFFAOYSA-N -1 0 321.318 -0.118 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)[C@H]1CCC=CO1 ZINC001608813189 1019281410 /nfs/dbraw/zinc/28/14/10/1019281410.db2.gz JNGVYQFFGAPWHJ-LPEHRKFASA-N -1 0 323.305 -0.715 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cc(CN2CCCC2)on1 ZINC001608810390 1019282169 /nfs/dbraw/zinc/28/21/69/1019282169.db2.gz WCBLAXWZWODSOR-SKDRFNHKSA-N -1 0 309.322 -0.070 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC001608810779 1019283198 /nfs/dbraw/zinc/28/31/98/1019283198.db2.gz DMEXSBAOPZRGOW-JLIMGVALSA-N -1 0 303.336 -0.878 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1Cc1ncccn1 ZINC001608812849 1019283383 /nfs/dbraw/zinc/28/33/83/1019283383.db2.gz CQAXSLDVBNTDPB-IUCAKERBSA-N -1 0 305.294 -0.944 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N([C@@H]2CC(=O)N(CC3CC3)C2)C1=O ZINC001608814731 1019283844 /nfs/dbraw/zinc/28/38/44/1019283844.db2.gz ZRVJTUSUNPDRSJ-BFLSOPEQSA-N -1 0 321.333 -0.362 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1cn(C2CCOCC2)nn1 ZINC001608823867 1019285097 /nfs/dbraw/zinc/28/50/97/1019285097.db2.gz XPFHBXSRHKCWKB-MWLCHTKSSA-N -1 0 310.310 -0.710 20 0 DBADRM O=C([O-])c1c(NC(=O)N2CC[C@@H](O)[C@H](CO)C2)nc2n1CCC2 ZINC001608829805 1019285464 /nfs/dbraw/zinc/28/54/64/1019285464.db2.gz OMUSTHSSZFROMH-DTWKUNHWSA-N -1 0 324.337 -0.266 20 0 DBADRM O=C([O-])[C@]12CN(S(=O)(=O)[C@@H]3COC[C@H]3O)C[C@H]1CCCC2 ZINC001608817563 1019285563 /nfs/dbraw/zinc/28/55/63/1019285563.db2.gz DSAONIOJZHQARX-PRULPYPASA-N -1 0 319.379 -0.347 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001608823441 1019286275 /nfs/dbraw/zinc/28/62/75/1019286275.db2.gz RTTVUIWSORHOET-GWOFURMSSA-N -1 0 324.333 -0.792 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC[C@H](CO)[C@H]2CCOC2)C1 ZINC001608824271 1019286671 /nfs/dbraw/zinc/28/66/71/1019286671.db2.gz ONBAQLIXOAZYAF-UKKRHICBSA-N -1 0 307.368 -0.586 20 0 DBADRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)CCN1C(=O)CCC1=O ZINC001608818868 1019286935 /nfs/dbraw/zinc/28/69/35/1019286935.db2.gz CSKRLCTXEBRUTM-SSDOTTSWSA-N -1 0 304.249 -0.154 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC[C@@H](O)COCC2CC2)C1 ZINC001608824308 1019287350 /nfs/dbraw/zinc/28/73/50/1019287350.db2.gz QDERZJLQNZOCTF-MXWKQRLJSA-N -1 0 307.368 -0.444 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H](CO)[C@H]2CCCOC2)n[nH]1 ZINC001608859854 1019288080 /nfs/dbraw/zinc/28/80/80/1019288080.db2.gz KYMXQDYASZFCIR-IONNQARKSA-N -1 0 319.339 -0.826 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCSC[C@@H]2CO)n[nH]1 ZINC001608859039 1019288379 /nfs/dbraw/zinc/28/83/79/1019288379.db2.gz YVGRLJXVTIFYLH-LURJTMIESA-N -1 0 307.353 -0.794 20 0 DBADRM O=C([O-])c1cc(F)cc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC001608848551 1019288490 /nfs/dbraw/zinc/28/84/90/1019288490.db2.gz QZHLXUBAGPRZFE-JTQLQIEISA-N -1 0 321.264 -0.100 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@]3(CCOC3=O)C2)n[nH]1 ZINC001608858655 1019288793 /nfs/dbraw/zinc/28/87/93/1019288793.db2.gz YWOJHKXEBLGRGN-NSHDSACASA-N -1 0 315.307 -0.564 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CC(O)(c3ccccc3)C2)n[nH]1 ZINC001608858218 1019288820 /nfs/dbraw/zinc/28/88/20/1019288820.db2.gz ZYCMETQJPYBCGR-UHFFFAOYSA-N -1 0 323.330 0.000 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)on1 ZINC001608858863 1019290416 /nfs/dbraw/zinc/29/04/16/1019290416.db2.gz MHSATBRCQJCOCO-QMMMGPOBSA-N -1 0 317.323 -0.922 20 0 DBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)N(CCO)CCO)c1 ZINC001608849429 1019290864 /nfs/dbraw/zinc/29/08/64/1019290864.db2.gz CZKYQCBYWZRHID-UHFFFAOYSA-N -1 0 307.299 -0.501 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H](CO)[C@@H]2CCOC2)c[nH]1 ZINC001608860058 1019291074 /nfs/dbraw/zinc/29/10/74/1019291074.db2.gz TUOXAJUSXCOZTI-XCBNKYQSSA-N -1 0 304.324 -0.611 20 0 DBADRM O=C([O-])c1cc(C(=O)N2CCN(CC(F)(F)CO)CC2)no1 ZINC001608835991 1019291177 /nfs/dbraw/zinc/29/11/77/1019291177.db2.gz FXZIYSWENAEXHH-UHFFFAOYSA-N -1 0 319.264 -0.242 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCOCCN1 ZINC001608866347 1019292535 /nfs/dbraw/zinc/29/25/35/1019292535.db2.gz FAZSLCWBGIZOCS-VIFPVBQESA-N -1 0 309.326 -0.037 20 0 DBADRM O=C([O-])c1ccc(=O)n(CN2CC(=O)N(CC(F)(F)F)C2)n1 ZINC001608870729 1019294172 /nfs/dbraw/zinc/29/41/72/1019294172.db2.gz LVQKNYLPGIAOLZ-UHFFFAOYSA-N -1 0 320.227 -0.437 20 0 DBADRM O=C([O-])c1ccc(NC(=O)[C@]2(F)CCS(=O)(=O)C2)nn1 ZINC001608898677 1019294295 /nfs/dbraw/zinc/29/42/95/1019294295.db2.gz BJZAJSDNKAEWCG-JTQLQIEISA-N -1 0 303.271 -0.360 20 0 DBADRM O=C([O-])c1ccc2c(c1)CC[C@H](NC(=O)C1(O)COC1)C(=O)N2 ZINC001608919567 1019295645 /nfs/dbraw/zinc/29/56/45/1019295645.db2.gz XASGEVMYONVXAA-NSHDSACASA-N -1 0 320.301 -0.484 20 0 DBADRM O=C([O-])c1cccc(CC(=O)N(CCO)CCOCCO)c1 ZINC001608929647 1019295700 /nfs/dbraw/zinc/29/57/00/1019295700.db2.gz DNSCPYOZGXFNTB-UHFFFAOYSA-N -1 0 311.334 -0.243 20 0 DBADRM O=C([O-])c1ccn(CCCC(=O)N2C[C@H](CO)[C@H](CO)C2)n1 ZINC001608950596 1019296648 /nfs/dbraw/zinc/29/66/48/1019296648.db2.gz AHLONOYOXNQJIA-PHIMTYICSA-N -1 0 311.338 -0.579 20 0 DBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)[C@@H](O)c3cccnc3)C2)nn1 ZINC001608959210 1019297932 /nfs/dbraw/zinc/29/79/32/1019297932.db2.gz ORVQAQZPMWASBX-JQWIXIFHSA-N -1 0 317.305 -0.122 20 0 DBADRM O=C([O-])c1cn(C2CN(S(=O)(=O)C[C@H]3CCOC3)C2)nn1 ZINC001608962835 1019298088 /nfs/dbraw/zinc/29/80/88/1019298088.db2.gz DDIZAAHSFIJPAI-QMMMGPOBSA-N -1 0 316.339 -0.801 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)nn1 ZINC001608959271 1019299670 /nfs/dbraw/zinc/29/96/70/1019299670.db2.gz QSMHUTWFACJSLS-SNVBAGLBSA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)CCn3ccnn3)C2)nn1 ZINC001608960234 1019300054 /nfs/dbraw/zinc/30/00/54/1019300054.db2.gz ZQRIONWFIPXBKO-SECBINFHSA-N -1 0 305.298 -0.569 20 0 DBADRM O=C([O-])c1cnc(Cn2cc(CCN3CCOCC3)nn2)cn1 ZINC001608974036 1019301999 /nfs/dbraw/zinc/30/19/99/1019301999.db2.gz ZFWXSPBRRNCDPC-UHFFFAOYSA-N -1 0 318.337 -0.311 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)N2CC[C@H](CCCO)C2)nn1 ZINC001608963840 1019302845 /nfs/dbraw/zinc/30/28/45/1019302845.db2.gz LLHGQSRVYJWKIT-JTQLQIEISA-N -1 0 311.342 -0.220 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCO[C@H]1CCCCO1 ZINC001608965281 1019303051 /nfs/dbraw/zinc/30/30/51/1019303051.db2.gz IHOHFKPESCQOST-VIFPVBQESA-N -1 0 319.339 -0.071 20 0 DBADRM O=C([O-])c1cnc(N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)nc1 ZINC001608974818 1019303913 /nfs/dbraw/zinc/30/39/13/1019303913.db2.gz APKPOBJUXGMYRV-MRVPVSSYSA-N -1 0 303.282 -0.698 20 0 DBADRM O=C([O-])c1cnc(N[C@H]2C[C@@H](CNC(=O)c3cn[nH]n3)C2)nc1 ZINC001608978640 1019304333 /nfs/dbraw/zinc/30/43/33/1019304333.db2.gz KNSDDQUVJLYXDY-OTSSQURYSA-N -1 0 317.309 -0.087 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)c2ccnnc2)nc1 ZINC001608976834 1019304374 /nfs/dbraw/zinc/30/43/74/1019304374.db2.gz IAJPIWWLARWLBI-JTQLQIEISA-N -1 0 318.293 -0.832 20 0 DBADRM O=C([O-])c1cnc(N2CCO[C@H](CNC(=O)C3CC3)C2)nc1 ZINC001608975413 1019304768 /nfs/dbraw/zinc/30/47/68/1019304768.db2.gz VQUODNLIAXEWRS-LLVKDONJSA-N -1 0 306.322 -0.094 20 0 DBADRM O=C([O-])c1cnc(NC[C@@H](O)CNC(=O)c2cccnn2)nc1 ZINC001608977359 1019305442 /nfs/dbraw/zinc/30/54/42/1019305442.db2.gz ZTCIQHVYVPNKML-VIFPVBQESA-N -1 0 318.293 -0.832 20 0 DBADRM O=C([O-])c1cncc(S(=O)(=O)N[C@@H]2CCCCNC2=O)c1 ZINC001608982345 1019305803 /nfs/dbraw/zinc/30/58/03/1019305803.db2.gz GTSIRYYOBWNPPF-SNVBAGLBSA-N -1 0 313.335 -0.273 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)N2CCN3C(=O)OC[C@@H]3C2)c1 ZINC001608990280 1019306244 /nfs/dbraw/zinc/30/62/44/1019306244.db2.gz PMEFCJBYUPDFPG-QMMMGPOBSA-N -1 0 316.291 -0.197 20 0 DBADRM O=C([O-])c1nc(NC[C@@H](NC(=O)c2nnc[n-]2)C2CC2)cc[nH+]1 ZINC001608998720 1019307897 /nfs/dbraw/zinc/30/78/97/1019307897.db2.gz AODOVDAHKOBVBL-MRVPVSSYSA-N -1 0 317.309 -0.665 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)c3ccnnc3)C2)n1 ZINC001608999277 1019307977 /nfs/dbraw/zinc/30/79/77/1019307977.db2.gz SXVOJOMCDUFDKL-SNVBAGLBSA-N -1 0 314.305 -0.287 20 0 DBADRM O=C([O-])c1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC34CC4)C2)n1 ZINC001608998512 1019307989 /nfs/dbraw/zinc/30/79/89/1019307989.db2.gz RDWXVLMYMSSMEA-IVZWLZJFSA-N -1 0 318.333 -0.359 20 0 DBADRM O=C([O-])c1nc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)cs1 ZINC001608995392 1019308122 /nfs/dbraw/zinc/30/81/22/1019308122.db2.gz VERLNYZVAWHLPZ-UHFFFAOYSA-N -1 0 322.350 -0.083 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCOC3)C2)n1 ZINC001608999894 1019308221 /nfs/dbraw/zinc/30/82/21/1019308221.db2.gz ZCQHOTACJLUVKN-BBBLOLIVSA-N -1 0 306.322 -0.308 20 0 DBADRM O=C([O-])c1nc(NC[C@H](NC(=O)c2nnc[n-]2)C2CC2)cc[nH+]1 ZINC001608998721 1019308574 /nfs/dbraw/zinc/30/85/74/1019308574.db2.gz AODOVDAHKOBVBL-QMMMGPOBSA-N -1 0 317.309 -0.665 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)NC[C@H](O)[C@H]2CCCO2)c1 ZINC001608990524 1019309294 /nfs/dbraw/zinc/30/92/94/1019309294.db2.gz CGJTUMONJRRUQU-DTWKUNHWSA-N -1 0 305.308 -0.204 20 0 DBADRM O=C([O-])c1nccc(N[C@H]2CCN(C(=O)c3ccnnc3)C2)n1 ZINC001608999276 1019309655 /nfs/dbraw/zinc/30/96/55/1019309655.db2.gz SXVOJOMCDUFDKL-JTQLQIEISA-N -1 0 314.305 -0.287 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NCCO[C@H]1CCOC1 ZINC001609005516 1019312283 /nfs/dbraw/zinc/31/22/83/1019312283.db2.gz RGCDHVQFBJGJOB-ZETCQYMHSA-N -1 0 322.364 -0.075 20 0 DBADRM O=C([O-])c1nscc1S(=O)(=O)NCCNC(=O)C1CC1 ZINC001609005720 1019312482 /nfs/dbraw/zinc/31/24/82/1019312482.db2.gz ZSBNXADVQFEOQM-UHFFFAOYSA-N -1 0 319.364 -0.354 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)c2cc(N3CCOCC3)ncn2)C1 ZINC001609027601 1019314756 /nfs/dbraw/zinc/31/47/56/1019314756.db2.gz IFXVGTQZOTUPCG-AWEZNQCLSA-N -1 0 324.312 -0.048 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001609026979 1019314773 /nfs/dbraw/zinc/31/47/73/1019314773.db2.gz RFYJDKSYOLKPBO-VXGBXAGGSA-N -1 0 307.302 -0.199 20 0 DBADRM O=C([O-])c1cccc(NC(=O)COC(=O)[C@H]2CCC(=O)NC2)n1 ZINC001609035838 1019315437 /nfs/dbraw/zinc/31/54/37/1019315437.db2.gz PIVQDEHNDJGDMN-QMMMGPOBSA-N -1 0 321.289 -0.212 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N2CCC3=C(CCC(=O)N3)C2)c1 ZINC001609037151 1019316076 /nfs/dbraw/zinc/31/60/76/1019316076.db2.gz NAUGAIDBQYONIG-UHFFFAOYSA-N -1 0 304.306 -0.022 20 0 DBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CN1CCC(=O)NC1=O ZINC001609038808 1019316412 /nfs/dbraw/zinc/31/64/12/1019316412.db2.gz GJOILEQDLICEDH-SNVBAGLBSA-N -1 0 320.305 -0.865 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2cc3n(n2)CCCC3=O)C1 ZINC001609038576 1019316639 /nfs/dbraw/zinc/31/66/39/1019316639.db2.gz LEDCENNBOCGWPK-BDAKNGLRSA-N -1 0 307.306 -0.233 20 0 DBADRM O=C([O-])c1nccc(N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 ZINC001609040149 1019316923 /nfs/dbraw/zinc/31/69/23/1019316923.db2.gz WFNJPUVDAUVLNK-BDAKNGLRSA-N -1 0 319.321 -0.852 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCCN2C(=O)CCCC2=O)C1 ZINC001609037905 1019317274 /nfs/dbraw/zinc/31/72/74/1019317274.db2.gz KJIIUWINNCBLED-DTORHVGOSA-N -1 0 318.351 -0.692 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)N2CCN3C(=O)CC[C@H]3C2)CCC1 ZINC001609037261 1019317412 /nfs/dbraw/zinc/31/74/12/1019317412.db2.gz QUKKJXNZQHXEGM-JTQLQIEISA-N -1 0 316.379 -0.122 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]2CCCC[C@@H]12 ZINC001609041186 1019318029 /nfs/dbraw/zinc/31/80/29/1019318029.db2.gz SCUALSARALRSPT-AVGNSLFASA-N -1 0 323.393 -0.090 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H]2CCC[C@@H]21 ZINC001609040878 1019318202 /nfs/dbraw/zinc/31/82/02/1019318202.db2.gz BZNONAVUMBMJEX-GRYCIOLGSA-N -1 0 309.366 -0.480 20 0 DBADRM O=C([O-])[C@H]1CSCCN(C(=O)[C@@H]2CSCC(=O)N2)C1 ZINC001609042840 1019318403 /nfs/dbraw/zinc/31/84/03/1019318403.db2.gz XEPPIPYWLWRXOV-SFYZADRCSA-N -1 0 304.393 -0.506 20 0 DBADRM O=C([O-])c1ccc(CNC(=O)NCCN2CCNC(=O)C2)o1 ZINC001609041268 1019318698 /nfs/dbraw/zinc/31/86/98/1019318698.db2.gz WVYFICNMVNIGCP-UHFFFAOYSA-N -1 0 310.310 -0.791 20 0 DBADRM O=C([O-])c1cnn(CC(=O)N[C@]23CC(=O)N[C@H]2CCCC3)c1 ZINC001609043100 1019319520 /nfs/dbraw/zinc/31/95/20/1019319520.db2.gz RJLNLIJMBKJKGQ-IINYFYTJSA-N -1 0 306.322 -0.101 20 0 DBADRM O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)c1ccc2c(c1)OCC(=O)N2 ZINC001609041838 1019319945 /nfs/dbraw/zinc/31/99/45/1019319945.db2.gz AQKHREDVOSNIPE-XZWHAEGMSA-N -1 0 306.274 -0.275 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC001609043688 1019320384 /nfs/dbraw/zinc/32/03/84/1019320384.db2.gz DTRUFXXQRHDGIP-PWSUYJOCSA-N -1 0 304.302 -0.230 20 0 DBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC3(C2)CNC(=O)O3)cn1 ZINC001609044947 1019320839 /nfs/dbraw/zinc/32/08/39/1019320839.db2.gz DOAJSYYPLOLRMK-UHFFFAOYSA-N -1 0 313.291 -0.737 20 0 DBADRM O=C([O-])C12CCC(C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)(CC1)C2 ZINC001609044823 1019321123 /nfs/dbraw/zinc/32/11/23/1019321123.db2.gz YOCRUXOKEXBLSY-RAXBXGLRSA-N -1 0 321.333 -0.216 20 0 DBADRM O=C([O-])[C@]1(O)CCN(C(=O)Nc2cccc3c2CNC3=O)C1 ZINC001609046065 1019321283 /nfs/dbraw/zinc/32/12/83/1019321283.db2.gz YOOBQSAWWABNLK-AWEZNQCLSA-N -1 0 305.290 -0.017 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)C[C@@H]2Oc3ccccc3NC2=O)C1 ZINC001609046349 1019321540 /nfs/dbraw/zinc/32/15/40/1019321540.db2.gz KGEDOUPLURAPPG-XHDPSFHLSA-N -1 0 320.301 -0.176 20 0 DBADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)C3CCC4(CC3)NC(=O)NC4=O)C[C@@H]21 ZINC001609044820 1019321560 /nfs/dbraw/zinc/32/15/60/1019321560.db2.gz YJMDOWXXIUPZAD-LRTJHGLBSA-N -1 0 321.333 -0.456 20 0 DBADRM O=C([O-])c1cc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)on1 ZINC001609044812 1019321647 /nfs/dbraw/zinc/32/16/47/1019321647.db2.gz YFAILVOUVTVYAW-CAAJLBCPSA-N -1 0 322.277 -0.519 20 0 DBADRM O=C([O-])C12CC(C1)CN2C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC001609044667 1019321728 /nfs/dbraw/zinc/32/17/28/1019321728.db2.gz YYMYJNVOWFFIIO-UHFFFAOYSA-N -1 0 321.333 -0.073 20 0 DBADRM O=C([O-])[C@@H](CC1CCOCC1)NC(=O)[C@@H]1CCOC(=O)N1 ZINC001609044485 1019321901 /nfs/dbraw/zinc/32/19/01/1019321901.db2.gz VXRHCSPNXXUQOS-VHSXEESVSA-N -1 0 300.311 -0.129 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)[C@H]([C@H]2CCCO2)C1 ZINC001609046064 1019321950 /nfs/dbraw/zinc/32/19/50/1019321950.db2.gz YNYQZFPHYJZSPJ-ZRUFSTJUSA-N -1 0 312.322 -0.034 20 0 DBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)NC[C@H]2CCCNC2=O)CC1 ZINC001609045052 1019322826 /nfs/dbraw/zinc/32/28/26/1019322826.db2.gz IJSFWORQXBTTOO-MNOVXSKESA-N -1 0 313.354 -0.620 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CC[C@@H](N3CCOC3=O)C2)CCC1 ZINC001609047004 1019323051 /nfs/dbraw/zinc/32/30/51/1019323051.db2.gz IOVPSICEKAAKIX-SECBINFHSA-N -1 0 318.351 -0.150 20 0 DBADRM CC(=O)NCCN(C)Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001609064120 1019323524 /nfs/dbraw/zinc/32/35/24/1019323524.db2.gz ZVSWKPDSNNITBK-UHFFFAOYSA-N -1 0 305.342 -0.638 20 0 DBADRM O=Cc1c[nH]c(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c1 ZINC001609048034 1019324657 /nfs/dbraw/zinc/32/46/57/1019324657.db2.gz ZYLRHEKDJQFPLM-VIFPVBQESA-N -1 0 314.319 -0.459 20 0 DBADRM C[C@@H](C(=O)N1CCOC[C@H]1C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609067871 1019325262 /nfs/dbraw/zinc/32/52/62/1019325262.db2.gz AJIZLBHYVPOYGA-WPRPVWTQSA-N -1 0 318.341 -0.343 20 0 DBADRM C[C@@H](C(=O)N(C)CC1CCOCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068117 1019325339 /nfs/dbraw/zinc/32/53/39/1019325339.db2.gz LGHFQWQWYOEBGZ-VIFPVBQESA-N -1 0 320.357 -0.096 20 0 DBADRM C[C@H](C(=O)N1CCOC[C@H]1C1CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609067867 1019326426 /nfs/dbraw/zinc/32/64/26/1019326426.db2.gz AJIZLBHYVPOYGA-SCZZXKLOSA-N -1 0 318.341 -0.343 20 0 DBADRM C[C@H](C(=O)N(C)CC1CCOCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068112 1019326466 /nfs/dbraw/zinc/32/64/66/1019326466.db2.gz LGHFQWQWYOEBGZ-SECBINFHSA-N -1 0 320.357 -0.096 20 0 DBADRM O=CN1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001609047577 1019327613 /nfs/dbraw/zinc/32/76/13/1019327613.db2.gz GJXMWRMWSRAMEN-UHFFFAOYSA-N -1 0 313.335 -0.367 20 0 DBADRM C[C@H](C(=O)NCC[C@H]1CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609070146 1019329122 /nfs/dbraw/zinc/32/91/22/1019329122.db2.gz JJOQWVHBLQYEGP-BDAKNGLRSA-N -1 0 306.330 -0.438 20 0 DBADRM C[C@@H](C(=O)N(C)C[C@H]1CCCO1)n1cnc(-c2nnn[n-]2)n1 ZINC001609068519 1019329577 /nfs/dbraw/zinc/32/95/77/1019329577.db2.gz RADMZFKGADULQY-DTWKUNHWSA-N -1 0 306.330 -0.343 20 0 DBADRM O=C([O-])c1ccc(C(=O)N2CCO[C@@H](CN3CCOCC3)C2)[nH]1 ZINC001574965392 1019329678 /nfs/dbraw/zinc/32/96/78/1019329678.db2.gz UEKWJOJKONQEOQ-NSHDSACASA-N -1 0 323.349 -0.114 20 0 DBADRM C[C@H](C(=O)N1CCN(C2CC2)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609069176 1019331322 /nfs/dbraw/zinc/33/13/22/1019331322.db2.gz SHAIBYBFWZSRIE-SECBINFHSA-N -1 0 317.357 -0.674 20 0 DBADRM C[C@@H](C(=O)NCc1ncccc1O)n1cnc(-c2nnn[n-]2)n1 ZINC001609069775 1019332944 /nfs/dbraw/zinc/33/29/44/1019332944.db2.gz FUAXAPKAOSHSRE-ZETCQYMHSA-N -1 0 315.297 -0.564 20 0 DBADRM C[C@H](C(=O)NCC[C@@H]1CCOC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609070149 1019333755 /nfs/dbraw/zinc/33/37/55/1019333755.db2.gz JJOQWVHBLQYEGP-RKDXNWHRSA-N -1 0 306.330 -0.438 20 0 DBADRM CC(C)CN1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1=O ZINC001609096293 1019338187 /nfs/dbraw/zinc/33/81/87/1019338187.db2.gz TYAGJDIKHQZSFX-UHFFFAOYSA-N -1 0 302.342 -0.039 20 0 DBADRM CC(C)[C@H](CO)O[N-]C(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001609088515 1019339968 /nfs/dbraw/zinc/33/99/68/1019339968.db2.gz RZQFJGRARYZLCL-JTQLQIEISA-N -1 0 321.341 -0.262 20 0 DBADRM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001609118631 1019341607 /nfs/dbraw/zinc/34/16/07/1019341607.db2.gz USODGRIZUCBSDK-IUCAKERBSA-N -1 0 320.357 -0.050 20 0 DBADRM C[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)CC(F)F ZINC001609112588 1019342718 /nfs/dbraw/zinc/34/27/18/1019342718.db2.gz KSYZIAQRBNMHMH-ZCFIWIBFSA-N -1 0 300.273 -0.134 20 0 DBADRM C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1nnn[n-]1 ZINC001609112115 1019346593 /nfs/dbraw/zinc/34/65/93/1019346593.db2.gz SLAUZDBHEDNGJS-LURJTMIESA-N -1 0 302.302 -0.416 20 0 DBADRM C[C@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)CC(F)F ZINC001609112587 1019347643 /nfs/dbraw/zinc/34/76/43/1019347643.db2.gz KSYZIAQRBNMHMH-LURJTMIESA-N -1 0 300.273 -0.134 20 0 DBADRM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001609156938 1019355635 /nfs/dbraw/zinc/35/56/35/1019355635.db2.gz FZLXGSSURHFBJJ-HTQZYQBOSA-N -1 0 310.339 -0.595 20 0 DBADRM C[C@@H]1C[C@@H](C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC001609155812 1019357364 /nfs/dbraw/zinc/35/73/64/1019357364.db2.gz UQTRITHLLJBBOA-BDAKNGLRSA-N -1 0 306.330 -0.611 20 0 DBADRM CC(F)(F)C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001505586969 1019357122 /nfs/dbraw/zinc/35/71/22/1019357122.db2.gz NDCIUGLRBPXBSS-YFKPBYRVSA-N -1 0 317.252 -0.731 20 0 DBADRM C[C@@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)cc2=O)C1 ZINC001609166028 1019359847 /nfs/dbraw/zinc/35/98/47/1019359847.db2.gz FAXMKKJKSKTZCA-SECBINFHSA-N -1 0 303.326 -0.318 20 0 DBADRM C[C@@H]1CN(C(=O)COc2cnc(-c3nnn[n-]3)nc2)CCO1 ZINC001609171501 1019362077 /nfs/dbraw/zinc/36/20/77/1019362077.db2.gz RSUYQDOEPOMROA-MRVPVSSYSA-N -1 0 305.298 -0.717 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H]1CO ZINC001609169176 1019363550 /nfs/dbraw/zinc/36/35/50/1019363550.db2.gz VXGUIRXJBMKPNC-JGVFFNPUSA-N -1 0 313.339 -0.149 20 0 DBADRM C[C@@H]1[C@@H](C)[C@H](C)CN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001609175393 1019363674 /nfs/dbraw/zinc/36/36/74/1019363674.db2.gz PIVBEEAWCJAGAG-HRDYMLBCSA-N -1 0 319.369 -0.255 20 0 DBADRM CCC1(CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001609197466 1019368519 /nfs/dbraw/zinc/36/85/19/1019368519.db2.gz DRTRXUDIBBRPKM-UHFFFAOYSA-N -1 0 305.346 -0.052 20 0 DBADRM O=C([O-])C1(NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CCC1 ZINC001575043188 1019369383 /nfs/dbraw/zinc/36/93/83/1019369383.db2.gz KOASJIRRZJBONW-SSDOTTSWSA-N -1 0 309.282 -0.876 20 0 DBADRM CC[C@@H]1CN(C)CCN1C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609201626 1019370301 /nfs/dbraw/zinc/37/03/01/1019370301.db2.gz MJUXRDMBTIIZNM-VHSXEESVSA-N -1 0 319.373 -0.428 20 0 DBADRM CC[C@H](C)[C@@](C)(O)CNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609184061 1019371182 /nfs/dbraw/zinc/37/11/82/1019371182.db2.gz ORSSPFWDZWEDMC-RWEMILLDSA-N -1 0 322.373 -0.068 20 0 DBADRM C[C@H]1CSCCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609177862 1019372233 /nfs/dbraw/zinc/37/22/33/1019372233.db2.gz GCJFUDASWUPGTI-QMMMGPOBSA-N -1 0 323.386 -0.395 20 0 DBADRM CCCNC(=O)[C@@H](C)OC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001609215654 1019375481 /nfs/dbraw/zinc/37/54/81/1019375481.db2.gz XJRPLBINFSQBRG-JGVFFNPUSA-N -1 0 322.329 -0.523 20 0 DBADRM CCN(CCC(=O)OC)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001609224181 1019376002 /nfs/dbraw/zinc/37/60/02/1019376002.db2.gz JXUIFJNPPYCILP-UHFFFAOYSA-N -1 0 306.326 -0.129 20 0 DBADRM CCCCNC(=O)NC(=O)COc1cnc(-c2nnn[n-]2)nc1 ZINC001609210587 1019378274 /nfs/dbraw/zinc/37/82/74/1019378274.db2.gz CGAOFWURIAVMSX-UHFFFAOYSA-N -1 0 320.313 -0.339 20 0 DBADRM CCCn1c(C)nnc1Cn1cnc(-c2nnn[n-]2)cc1=O ZINC001609218543 1019379685 /nfs/dbraw/zinc/37/96/85/1019379685.db2.gz QGYRPLNMRWCAEO-UHFFFAOYSA-N -1 0 301.314 -0.218 20 0 DBADRM CCOC1CC(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)C1 ZINC001609237395 1019382180 /nfs/dbraw/zinc/38/21/80/1019382180.db2.gz HAEQMURFSUIQGR-UHFFFAOYSA-N -1 0 306.326 -0.458 20 0 DBADRM CCOCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001609239513 1019384203 /nfs/dbraw/zinc/38/42/03/1019384203.db2.gz MJUVEKNDFRLPEK-UHFFFAOYSA-N -1 0 311.323 -0.292 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cc(C)on2)c1=O ZINC001609257845 1019390206 /nfs/dbraw/zinc/39/02/06/1019390206.db2.gz LDJNWTJRXGCFTN-UHFFFAOYSA-N -1 0 303.282 -0.445 20 0 DBADRM CCOCCO[N-]C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC001609241292 1019392331 /nfs/dbraw/zinc/39/23/31/1019392331.db2.gz MZQPTMOPRSRVCW-UHFFFAOYSA-N -1 0 320.309 -0.111 20 0 DBADRM CN(C[C@@H](O)Cn1cnc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC001609273630 1019394087 /nfs/dbraw/zinc/39/40/87/1019394087.db2.gz UTCMSMYVLUWBKV-MRVPVSSYSA-N -1 0 324.345 -0.314 20 0 DBADRM CN(CCc1nccs1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001609277141 1019395713 /nfs/dbraw/zinc/39/57/13/1019395713.db2.gz IEVNUMSUKCSMNL-UHFFFAOYSA-N -1 0 319.354 -0.384 20 0 DBADRM CN(CCCCCO)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609275127 1019398106 /nfs/dbraw/zinc/39/81/06/1019398106.db2.gz HLENOZPQAGSVGF-UHFFFAOYSA-N -1 0 323.361 -0.738 20 0 DBADRM O=C(NCCNC(=O)[C@H]1C[C@@H]1C(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001575095839 1019403504 /nfs/dbraw/zinc/40/35/04/1019403504.db2.gz TWUHBCPLGPEQIW-WHFBIAKZSA-N -1 0 317.252 -0.970 20 0 DBADRM CO[C@H](C)c1noc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)n1 ZINC001609309068 1019417128 /nfs/dbraw/zinc/41/71/28/1019417128.db2.gz JTDQARWGXRGZBS-RXMQYKEDSA-N -1 0 320.269 -0.732 20 0 DBADRM CO[C@H](C)[C@H](C)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609308095 1019417402 /nfs/dbraw/zinc/41/74/02/1019417402.db2.gz CMLIDUBMKMAOPW-JGVFFNPUSA-N -1 0 309.334 -0.819 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CC[S@@](C)=O)c1 ZINC001609302156 1019419507 /nfs/dbraw/zinc/41/95/07/1019419507.db2.gz WICMOVIQKBBJEM-OAQYLSRUSA-N -1 0 311.323 -0.807 20 0 DBADRM CO[C@@H](CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC001609308974 1019420654 /nfs/dbraw/zinc/42/06/54/1019420654.db2.gz INRPKRXESIPTLK-CBAPKCEASA-N -1 0 306.330 -0.440 20 0 DBADRM COC[C@@H]1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)C1 ZINC001609320068 1019426720 /nfs/dbraw/zinc/42/67/20/1019426720.db2.gz WNNATEDGELMZCT-SECBINFHSA-N -1 0 324.366 -0.081 20 0 DBADRM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC(C(=O)[O-])C1 ZINC001609388947 1019447761 /nfs/dbraw/zinc/44/77/61/1019447761.db2.gz CJUITCGUBRKJAX-UHFFFAOYSA-N -1 0 323.334 -0.120 20 0 DBADRM Cc1cc(-c2nn[nH]n2)cnc1C(=O)NCc1nc(=O)o[n-]1 ZINC001609390374 1019448653 /nfs/dbraw/zinc/44/86/53/1019448653.db2.gz HIONWWDTCJCVLL-UHFFFAOYSA-N -1 0 302.254 -0.824 20 0 DBADRM Cc1cnc(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)nc1 ZINC001609440614 1019458823 /nfs/dbraw/zinc/45/88/23/1019458823.db2.gz BXKJNDADGYBPQN-ZETCQYMHSA-N -1 0 300.286 -0.244 20 0 DBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2[C@@H]3CCC[C@@H]32)n(C)c1=O ZINC001609476482 1019476086 /nfs/dbraw/zinc/47/60/86/1019476086.db2.gz GJQCRCZUGGQCBC-QMSLJYSESA-N -1 0 303.326 -0.526 20 0 DBADRM Cn1nncc1S(=O)(=O)[N-]c1cc(-c2nn[nH]n2)ccc1O ZINC001609483628 1019484695 /nfs/dbraw/zinc/48/46/95/1019484695.db2.gz NCGHPXCVNOKPCN-UHFFFAOYSA-N -1 0 322.310 -0.498 20 0 DBADRM C/C(=C/CN1C(=O)N[C@@H](CCS(C)(=O)=O)C1=O)C(=O)[O-] ZINC001609497943 1019485966 /nfs/dbraw/zinc/48/59/66/1019485966.db2.gz POUHSHGNIZAEPY-PFPYCLJUSA-N -1 0 304.324 -0.628 20 0 DBADRM NC(=O)NC(=O)Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCCC2 ZINC001609504526 1019492978 /nfs/dbraw/zinc/49/29/78/1019492978.db2.gz RHHBHLXVQPWAOH-UHFFFAOYSA-N -1 0 317.309 -0.898 20 0 DBADRM O=C(Cn1cncc(-c2nnn[n-]2)c1=O)NCc1ccccc1 ZINC001609538162 1019504057 /nfs/dbraw/zinc/50/40/57/1019504057.db2.gz XVODDGUCHJMPIZ-UHFFFAOYSA-N -1 0 311.305 -0.260 20 0 DBADRM O=C(NN1CCCNC1=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609557473 1019513466 /nfs/dbraw/zinc/51/34/66/1019513466.db2.gz OTPWAADNFVDWCY-UHFFFAOYSA-N -1 0 303.282 -0.368 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cccc2[nH]cnc21 ZINC001609552802 1019513958 /nfs/dbraw/zinc/51/39/58/1019513958.db2.gz YGHQLWNDKUKQIS-UHFFFAOYSA-N -1 0 324.308 -0.236 20 0 DBADRM O=C(NCCc1ccco1)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001609551693 1019516047 /nfs/dbraw/zinc/51/60/47/1019516047.db2.gz WKCUPHFUXZFWHZ-UHFFFAOYSA-N -1 0 317.313 -0.407 20 0 DBADRM O=C([O-])C1CN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC001609571589 1019520660 /nfs/dbraw/zinc/52/06/60/1019520660.db2.gz NYFJNRUDTKQYHX-UHFFFAOYSA-N -1 0 309.307 -0.428 20 0 DBADRM O=C([O-])[C@H](F)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)s1 ZINC001609572371 1019522451 /nfs/dbraw/zinc/52/24/51/1019522451.db2.gz TWGNVOZPMVLSNF-SCSAIBSYSA-N -1 0 321.315 -0.371 20 0 DBADRM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CN1C1CC1 ZINC001609589181 1019523588 /nfs/dbraw/zinc/52/35/88/1019523588.db2.gz LNUZHNYRPDGRTP-UHFFFAOYSA-N -1 0 324.322 -0.588 20 0 DBADRM O=S(=O)(NC[C@H](O)C1CC1)c1cccnc1-c1nnn[n-]1 ZINC001609594647 1019524050 /nfs/dbraw/zinc/52/40/50/1019524050.db2.gz WILFBLAJVPWVHR-QMMMGPOBSA-N -1 0 310.339 -0.689 20 0 DBADRM O=c1c(-c2nnn[n-]2)cccn1CN1CCC2(CC1)OCCO2 ZINC001609603894 1019529484 /nfs/dbraw/zinc/52/94/84/1019529484.db2.gz JDBIGZOHFASGAF-UHFFFAOYSA-N -1 0 318.337 -0.175 20 0 DBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCCC(=O)[O-])CC1 ZINC001609599289 1019529577 /nfs/dbraw/zinc/52/95/77/1019529577.db2.gz QJDAFYIADOPITB-JTQLQIEISA-N -1 0 314.338 -0.136 20 0 DBADRM CC(=O)N1CCN(CCNC(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001609603115 1019530536 /nfs/dbraw/zinc/53/05/36/1019530536.db2.gz ARTKTVYMKJSQQG-UHFFFAOYSA-N -1 0 308.338 -0.393 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)[C@@H](C)C(=O)N(C)C(C)C)C(=O)[O-] ZINC001609622350 1019533995 /nfs/dbraw/zinc/53/39/95/1019533995.db2.gz QSMTUCNIXYUFGN-WPRPVWTQSA-N -1 0 322.383 -0.754 20 0 DBADRM CC(=O)N[C@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])C1CCCC1 ZINC001609611781 1019534147 /nfs/dbraw/zinc/53/41/47/1019534147.db2.gz IOWVDZFHSTXJEF-UFBFGSQYSA-N -1 0 314.338 -0.186 20 0 DBADRM CC(=O)N[C@@H](C[S@@](=O)CC(=O)N1CCC(C)CC1)C(=O)[O-] ZINC001609622938 1019536389 /nfs/dbraw/zinc/53/63/89/1019536389.db2.gz WLWZIBREIRXCCD-WIUDPPPLSA-N -1 0 318.395 -0.417 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)Nc1c[nH]nc1C(=O)[O-])n1cccn1 ZINC001609631553 1019540148 /nfs/dbraw/zinc/54/01/48/1019540148.db2.gz HVPJVZSYTUDREJ-QMMMGPOBSA-N -1 0 320.309 -0.038 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCCO1)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001609636059 1019541369 /nfs/dbraw/zinc/54/13/69/1019541369.db2.gz KAPJWIYJVCTSMU-BJDJZHNGSA-N -1 0 300.355 -0.156 20 0 DBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@H](CS(C)(=O)=O)C1 ZINC001609635523 1019543045 /nfs/dbraw/zinc/54/30/45/1019543045.db2.gz ZRPFZLDHIASXKN-UWVGGRQHSA-N -1 0 306.384 -0.668 20 0 DBADRM CC(=O)NCCN(C(=O)CO[C@@H]1CCOC1)[C@@H](C)C(=O)[O-] ZINC001609673520 1019543734 /nfs/dbraw/zinc/54/37/34/1019543734.db2.gz BKQGEACMHWLPNO-GXSJLCMTSA-N -1 0 302.327 -0.770 20 0 DBADRM CC(C)(C)CC(=O)NCC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001609655426 1019544255 /nfs/dbraw/zinc/54/42/55/1019544255.db2.gz XEJSVUOKLKPFSR-CABZTGNLSA-N -1 0 300.355 -0.025 20 0 DBADRM CC(C)(CC(=O)[O-])C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001609673021 1019544507 /nfs/dbraw/zinc/54/45/07/1019544507.db2.gz FFUAAXMGMZMOFR-QMMMGPOBSA-N -1 0 321.351 -0.666 20 0 DBADRM CC(C)(C)NC(=O)CNC(=O)CN1CC[C@@](F)(C(=O)[O-])C1 ZINC001609657865 1019544745 /nfs/dbraw/zinc/54/47/45/1019544745.db2.gz KWVJTDXROFMTDV-ZDUSSCGKSA-N -1 0 303.334 -0.484 20 0 DBADRM CC(C)(CNC(=O)Cn1cc(C(=O)[O-])nn1)[C@@]1(O)CCOC1 ZINC001609675693 1019545391 /nfs/dbraw/zinc/54/53/91/1019545391.db2.gz FXBMBCDZPLBCJR-CYBMUJFWSA-N -1 0 312.326 -0.730 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001609669070 1019545672 /nfs/dbraw/zinc/54/56/72/1019545672.db2.gz LOUNDFNHLIFHLO-BDAKNGLRSA-N -1 0 307.368 -0.506 20 0 DBADRM CC(=O)NCCN(C(=O)C[C@H]1CCCC(=O)N1)[C@@H](C)C(=O)[O-] ZINC001609673546 1019545995 /nfs/dbraw/zinc/54/59/95/1019545995.db2.gz GFPGZMMOUGNCIX-GXSJLCMTSA-N -1 0 313.354 -0.517 20 0 DBADRM CC(C)(NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@@H](O)C(=O)[O-] ZINC001609681292 1019546489 /nfs/dbraw/zinc/54/64/89/1019546489.db2.gz YWGLBDWZPFEOTG-VIFPVBQESA-N -1 0 316.335 -0.712 20 0 DBADRM CC(C)C[C@@H](CO)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001609693422 1019546557 /nfs/dbraw/zinc/54/65/57/1019546557.db2.gz OHLQGMRJKNSUAG-JTQLQIEISA-N -1 0 319.383 -0.005 20 0 DBADRM CC(C)(CS(=O)(=O)NCCC(=O)N1CCOCC1)C(=O)[O-] ZINC001609677881 1019546805 /nfs/dbraw/zinc/54/68/05/1019546805.db2.gz IVGMFFCQVPZNRW-UHFFFAOYSA-N -1 0 322.383 -0.735 20 0 DBADRM CC(C)[C@H](NC(=O)CCN1C(=O)CCNC1=S)C(=O)[O-] ZINC001609685555 1019546907 /nfs/dbraw/zinc/54/69/07/1019546907.db2.gz GMULMGGMCPTWAD-JTQLQIEISA-N -1 0 301.368 -0.291 20 0 DBADRM CC(C)(CS(=O)(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(=O)[O-] ZINC001609677029 1019547332 /nfs/dbraw/zinc/54/73/32/1019547332.db2.gz LUHZDDJRRJKECE-BDAKNGLRSA-N -1 0 320.367 -0.143 20 0 DBADRM CC(C)(CS(=O)(=O)N1CC[C@H](n2cncn2)C1)C(=O)[O-] ZINC001609676707 1019547599 /nfs/dbraw/zinc/54/75/99/1019547599.db2.gz DCBKAQMQABORCN-VIFPVBQESA-N -1 0 302.356 -0.035 20 0 DBADRM CC(=O)NCCN(Cc1nnnn1C(C)(C)C)[C@H](C)C(=O)[O-] ZINC001609676183 1019548413 /nfs/dbraw/zinc/54/84/13/1019548413.db2.gz XWSLAVOGKMJURO-SECBINFHSA-N -1 0 312.374 -0.161 20 0 DBADRM CC(C)C[C@@H](NC(=O)CN1C[C@@H]2C[C@H]1C[S@@]2=O)C(=O)[O-] ZINC001609694003 1019548654 /nfs/dbraw/zinc/54/86/54/1019548654.db2.gz KRSUCHQRGZSHTG-KALHSFGWSA-N -1 0 302.396 -0.193 20 0 DBADRM CC(C)[C@H](CO)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001609684919 1019548817 /nfs/dbraw/zinc/54/88/17/1019548817.db2.gz GMXLHRFIGMUVFG-QMMMGPOBSA-N -1 0 312.326 -0.563 20 0 DBADRM CC(C)OC[C@H](CO)N(C)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001609710525 1019549736 /nfs/dbraw/zinc/54/97/36/1019549736.db2.gz YGBXHDCCBNCIKW-JTQLQIEISA-N -1 0 312.388 -0.645 20 0 DBADRM CC(C)N(CCC(=O)[O-])C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC001609704918 1019550783 /nfs/dbraw/zinc/55/07/83/1019550783.db2.gz NOODSFIWONBSQO-LLVKDONJSA-N -1 0 320.411 -0.183 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 ZINC001609705783 1019550870 /nfs/dbraw/zinc/55/08/70/1019550870.db2.gz HLDLHCKVPNXRAD-QMMMGPOBSA-N -1 0 307.306 -0.049 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001609697975 1019550921 /nfs/dbraw/zinc/55/09/21/1019550921.db2.gz CVVUJEUCEKSXJN-DCAQKATOSA-N -1 0 319.379 -0.098 20 0 DBADRM CC(C)NS(=O)(=O)NCCNc1nccnc1C(=O)[O-] ZINC001609708012 1019551553 /nfs/dbraw/zinc/55/15/53/1019551553.db2.gz AGWRCBLYPCAJAG-UHFFFAOYSA-N -1 0 303.344 -0.581 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1cnc(N)cn1)C(=O)[O-] ZINC001609702598 1019551590 /nfs/dbraw/zinc/55/15/90/1019551590.db2.gz WEFALRCMJKDGGC-QMMMGPOBSA-N -1 0 309.326 -0.596 20 0 DBADRM CC(C)C[C@H](NC(=O)COC(=O)C1=NNC(=O)CC1)C(=O)[O-] ZINC001609694274 1019551885 /nfs/dbraw/zinc/55/18/85/1019551885.db2.gz SWQMHJUTRZQWPS-VIFPVBQESA-N -1 0 313.310 -0.589 20 0 DBADRM CC(C)c1nnc(CNC(=O)Cn2cc(C(=O)[O-])nn2)n1C ZINC001609722415 1019555240 /nfs/dbraw/zinc/55/52/40/1019555240.db2.gz DSPWMGVOQYIISV-UHFFFAOYSA-N -1 0 307.314 -0.455 20 0 DBADRM CC(C)[C@H](NC(=O)CN1CCN(CCO)[C@H](C)C1)C(=O)[O-] ZINC001609716843 1019555418 /nfs/dbraw/zinc/55/54/18/1019555418.db2.gz WYFFZECWYXTOJV-YPMHNXCESA-N -1 0 301.387 -0.790 20 0 DBADRM CC(C)n1cc(S(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cn1 ZINC001609723938 1019555792 /nfs/dbraw/zinc/55/57/92/1019555792.db2.gz DSNQHXRIPIHTQB-UWVGGRQHSA-N -1 0 317.367 -0.080 20 0 DBADRM CC(C)S(=O)(=O)CCNC(=O)c1cnc(C(=O)[O-])cn1 ZINC001609715254 1019556204 /nfs/dbraw/zinc/55/62/04/1019556204.db2.gz FLJXOVIZWFOCHR-UHFFFAOYSA-N -1 0 301.324 -0.272 20 0 DBADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC001609731887 1019556433 /nfs/dbraw/zinc/55/64/33/1019556433.db2.gz HRWJPIOWNQPXEQ-VHSXEESVSA-N -1 0 321.399 -0.516 20 0 DBADRM C[C@@H](CS(=O)(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001609750053 1019558027 /nfs/dbraw/zinc/55/80/27/1019558027.db2.gz MQAXPMSWKZIDHM-IUCAKERBSA-N -1 0 304.368 -0.363 20 0 DBADRM C[C@H](CS(C)(=O)=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001609747422 1019558166 /nfs/dbraw/zinc/55/81/66/1019558166.db2.gz BSAZDTACEXRQKC-SECBINFHSA-N -1 0 307.368 -0.335 20 0 DBADRM C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001609737388 1019558200 /nfs/dbraw/zinc/55/82/00/1019558200.db2.gz WLBHQCMTTRUOMA-LURJTMIESA-N -1 0 311.269 -0.158 20 0 DBADRM C[C@@H](CN(C)C(=O)c1nc(N)nc(N2CCOCC2)n1)C(=O)[O-] ZINC001609741123 1019558607 /nfs/dbraw/zinc/55/86/07/1019558607.db2.gz NDMWSNBDNPBPJU-QMMMGPOBSA-N -1 0 324.341 -0.917 20 0 DBADRM C[C@@H](OC(=O)c1ccc(C(N)=O)s1)C(=O)NCC(=O)[O-] ZINC001609798470 1019567505 /nfs/dbraw/zinc/56/75/05/1019567505.db2.gz OHYWUCSGRRKYOC-RXMQYKEDSA-N -1 0 300.292 -0.407 20 0 DBADRM C[C@H](CN(C)C(=O)c1nc(N)nc(N2CCOCC2)n1)C(=O)[O-] ZINC001609741122 1019559391 /nfs/dbraw/zinc/55/93/91/1019559391.db2.gz NDMWSNBDNPBPJU-MRVPVSSYSA-N -1 0 324.341 -0.917 20 0 DBADRM C[C@@H](CS(=O)(=O)N1CCO[C@@H](C(=O)C2CC2)C1)C(=O)[O-] ZINC001609751488 1019559820 /nfs/dbraw/zinc/55/98/20/1019559820.db2.gz ZFHZOXTUUHTZCC-WCBMZHEXSA-N -1 0 305.352 -0.283 20 0 DBADRM C[C@](O)(CNC(=O)CNC(=O)c1cc(Cl)ccn1)C(=O)[O-] ZINC001609784287 1019561389 /nfs/dbraw/zinc/56/13/89/1019561389.db2.gz HFSKUUFIYIACBK-LBPRGKRZSA-N -1 0 315.713 -0.583 20 0 DBADRM C[C@@H](O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CCO1 ZINC001609788085 1019564027 /nfs/dbraw/zinc/56/40/27/1019564027.db2.gz NBGQFWJQKKCMHI-BXKDBHETSA-N -1 0 322.317 -0.069 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)OCC(=O)c1cc(C(=O)[O-])co1 ZINC001609785935 1019564099 /nfs/dbraw/zinc/56/40/99/1019564099.db2.gz LNCKANGDFYUJRF-LURJTMIESA-N -1 0 319.291 -0.359 20 0 DBADRM CC(C)C[C@@]1(C)NC(=O)N(CCS(=O)(=O)CC(=O)[O-])C1=O ZINC001609790848 1019564190 /nfs/dbraw/zinc/56/41/90/1019564190.db2.gz HETFASIOPOWQNX-GFCCVEGCSA-N -1 0 320.367 -0.158 20 0 DBADRM C[C@H](O)C[C@H]1COCCN1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001609787588 1019564615 /nfs/dbraw/zinc/56/46/15/1019564615.db2.gz IHHIURWTQDHFPI-UWVGGRQHSA-N -1 0 309.384 -0.101 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)N[C@@]2(CC(=O)[O-])CCCOC2)nn1 ZINC001609790859 1019565758 /nfs/dbraw/zinc/56/57/58/1019565758.db2.gz JWUPYWPSSQAYFL-NOZJJQNGSA-N -1 0 312.326 -0.529 20 0 DBADRM C[C@@H](O)CN1CCN(S(=O)(=O)CCCC(=O)[O-])[C@@H](C)C1 ZINC001609790168 1019565835 /nfs/dbraw/zinc/56/58/35/1019565835.db2.gz CRHUCVDZULNZCS-WDEREUQCSA-N -1 0 308.400 -0.432 20 0 DBADRM CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)C(=O)[O-])N1CCCS1(=O)=O ZINC001609790497 1019566226 /nfs/dbraw/zinc/56/62/26/1019566226.db2.gz GXRBZTMUOWXNFF-IUCAKERBSA-N -1 0 321.351 -0.368 20 0 DBADRM C[C@H](C(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1)N1C(=O)CCC1=O ZINC001609788822 1019566241 /nfs/dbraw/zinc/56/62/41/1019566241.db2.gz FCUZGNSEHAFYJI-SFYZADRCSA-N -1 0 324.293 -0.496 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001609801717 1019567015 /nfs/dbraw/zinc/56/70/15/1019567015.db2.gz JYMNROQHNICHOE-AXFHLTTASA-N -1 0 314.338 -0.628 20 0 DBADRM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001609801736 1019567052 /nfs/dbraw/zinc/56/70/52/1019567052.db2.gz JYMNROQHNICHOE-HBNTYKKESA-N -1 0 314.338 -0.628 20 0 DBADRM C[C@H](OC(=O)C1CN(CC(F)(F)F)C1)C(=O)NCC(=O)[O-] ZINC001609791883 1019567388 /nfs/dbraw/zinc/56/73/88/1019567388.db2.gz CVDCXFBZQDHZMI-LURJTMIESA-N -1 0 312.244 -0.387 20 0 DBADRM COc1cccc(-n2cc(C(=O)[N-]N3CC(=O)NC3=O)nn2)c1 ZINC001609792827 1019568406 /nfs/dbraw/zinc/56/84/06/1019568406.db2.gz RCKWPSNUYHYNLG-UHFFFAOYSA-N -1 0 316.277 -0.528 20 0 DBADRM C[C@@H](OC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)C(=O)C(=O)[O-] ZINC001609798200 1019568709 /nfs/dbraw/zinc/56/87/09/1019568709.db2.gz GBGINCUMSGGGDZ-SSDOTTSWSA-N -1 0 320.257 -0.313 20 0 DBADRM C[C@@H](OC(=O)CCNS(C)(=O)=O)C(=O)C(C)(C)C(=O)[O-] ZINC001609793738 1019568724 /nfs/dbraw/zinc/56/87/24/1019568724.db2.gz JLYGYRWBVGVQND-SSDOTTSWSA-N -1 0 309.340 -0.463 20 0 DBADRM CC1(C)CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1 ZINC001609817600 1019570428 /nfs/dbraw/zinc/57/04/28/1019570428.db2.gz BQKDNNXZIDTANR-MNOVXSKESA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC001609811944 1019570964 /nfs/dbraw/zinc/57/09/64/1019570964.db2.gz WSQDNLSGESZKKW-BMIGLBTASA-N -1 0 320.349 -0.363 20 0 DBADRM CC1(C)[C@@H]2CN(C(=O)C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)C[C@@H]21 ZINC001609813665 1019571055 /nfs/dbraw/zinc/57/10/55/1019571055.db2.gz DOIMLRGWJGFACU-ZRUFSTJUSA-N -1 0 310.350 -0.605 20 0 DBADRM C[C@@H](Sc1nnnn1Cc1ccco1)C(=O)NCC(=O)[O-] ZINC001609806284 1019571149 /nfs/dbraw/zinc/57/11/49/1019571149.db2.gz KTQARULNVVEXBG-SSDOTTSWSA-N -1 0 311.323 -0.004 20 0 DBADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)NCCN2CCNC(=O)C2)C1 ZINC001609809885 1019571228 /nfs/dbraw/zinc/57/12/28/1019571228.db2.gz JVLSZJSGWQJZHA-CQSZACIVSA-N -1 0 312.370 -0.686 20 0 DBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC001609811945 1019571699 /nfs/dbraw/zinc/57/16/99/1019571699.db2.gz WSQDNLSGESZKKW-BONVTDFDSA-N -1 0 320.349 -0.363 20 0 DBADRM CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)C(=O)[O-] ZINC001609808421 1019571857 /nfs/dbraw/zinc/57/18/57/1019571857.db2.gz ZNUOCDYVHYUOPC-JTQLQIEISA-N -1 0 309.322 -0.061 20 0 DBADRM C[C@H](Sc1nnc(CO)n1C1CC1)C(=O)NCC(=O)[O-] ZINC001609806433 1019571960 /nfs/dbraw/zinc/57/19/60/1019571960.db2.gz LKVSBYJVQUYIPD-LURJTMIESA-N -1 0 300.340 -0.213 20 0 DBADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC[C@@H](CO)C2)C1 ZINC001609812807 1019572019 /nfs/dbraw/zinc/57/20/19/1019572019.db2.gz ACZFNRZTRVTTTC-ABAIWWIYSA-N -1 0 312.366 -0.069 20 0 DBADRM CC(C)Cc1noc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC001609813754 1019572343 /nfs/dbraw/zinc/57/23/43/1019572343.db2.gz WWNQQACNAAIESN-SECBINFHSA-N -1 0 317.367 -0.048 20 0 DBADRM CC1(C)NC(=O)N(CC(=O)Nc2cccc(CC(=O)[O-])n2)C1=O ZINC001609821244 1019572834 /nfs/dbraw/zinc/57/28/34/1019572834.db2.gz YASVDQNTSPJZCJ-UHFFFAOYSA-N -1 0 320.305 -0.022 20 0 DBADRM C[C@]1(CO)CCCN1C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001609822023 1019572939 /nfs/dbraw/zinc/57/29/39/1019572939.db2.gz JYCRFSJICKZUSM-QMTHXVAHSA-N -1 0 314.338 -0.938 20 0 DBADRM C[C@@]1(CNC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCCO1 ZINC001609822886 1019573011 /nfs/dbraw/zinc/57/30/11/1019573011.db2.gz KYOGQOKAOARSCF-HZMBPMFUSA-N -1 0 314.338 -0.626 20 0 DBADRM C[C@]1(CNC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCCO1 ZINC001609822898 1019573336 /nfs/dbraw/zinc/57/33/36/1019573336.db2.gz KYOGQOKAOARSCF-QMTHXVAHSA-N -1 0 314.338 -0.626 20 0 DBADRM C[C@]1(CO)CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC001609822517 1019573536 /nfs/dbraw/zinc/57/35/36/1019573536.db2.gz MXFYZXJTRCVAPT-LBPRGKRZSA-N -1 0 317.367 -0.249 20 0 DBADRM CC1(C)CCC[C@@H]1NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001609818723 1019574067 /nfs/dbraw/zinc/57/40/67/1019574067.db2.gz XCTVHJOFYHVZCZ-AXFHLTTASA-N -1 0 312.366 -0.025 20 0 DBADRM C[C@]1(CCC(=O)OCC(=O)NCCC(=O)[O-])CCC(=O)N1 ZINC001609823675 1019574123 /nfs/dbraw/zinc/57/41/23/1019574123.db2.gz QNSLWRMXUWWUHF-CYBMUJFWSA-N -1 0 300.311 -0.431 20 0 DBADRM C[C@]1(NS(=O)(=O)c2cncc(C(=O)[O-])c2)CCOC1=O ZINC001609824743 1019574187 /nfs/dbraw/zinc/57/41/87/1019574187.db2.gz GTGWGOYYPZDVRQ-NSHDSACASA-N -1 0 300.292 -0.236 20 0 DBADRM CC(C)(CS(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1)C(=O)[O-] ZINC001609825540 1019574413 /nfs/dbraw/zinc/57/44/13/1019574413.db2.gz YGOMSKBXYJVEEO-JTQLQIEISA-N -1 0 313.397 -0.406 20 0 DBADRM CC1(C)SC[C@@H]1NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001609819592 1019574480 /nfs/dbraw/zinc/57/44/80/1019574480.db2.gz LBGGTXOWXILNDT-HLTSFMKQSA-N -1 0 316.379 -0.709 20 0 DBADRM CC1(C)CCC[C@@H]1NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001609818724 1019574495 /nfs/dbraw/zinc/57/44/95/1019574495.db2.gz XCTVHJOFYHVZCZ-DCAQKATOSA-N -1 0 312.366 -0.025 20 0 DBADRM CC[C@H](C(=O)[O-])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC001609886740 1019586972 /nfs/dbraw/zinc/58/69/72/1019586972.db2.gz SPXYGVXSDNJPSQ-VIFPVBQESA-N -1 0 324.424 -0.408 20 0 DBADRM C[C@H]1OCC[C@]1(O)CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001609877644 1019586989 /nfs/dbraw/zinc/58/69/89/1019586989.db2.gz BESBSMYMHPBHSB-LDWIPMOCSA-N -1 0 322.364 -0.341 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CCC[C@@H](CCO)C1 ZINC001609835084 1019576225 /nfs/dbraw/zinc/57/62/25/1019576225.db2.gz OPQPVNOEGCVLOK-WOPDTQHZSA-N -1 0 312.366 -0.071 20 0 DBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCc1ccn(C)n1 ZINC001609833854 1019576989 /nfs/dbraw/zinc/57/69/89/1019576989.db2.gz KYRYYQFGMHBMNX-KOLCDFICSA-N -1 0 308.338 -0.600 20 0 DBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001609832261 1019577047 /nfs/dbraw/zinc/57/70/47/1019577047.db2.gz LRZFXNNVGAOZFT-PSASIEDQSA-N -1 0 319.383 -0.618 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)C[C@@H]1O ZINC001609862578 1019579157 /nfs/dbraw/zinc/57/91/57/1019579157.db2.gz IRLCICOIKUQDMW-SKDRFNHKSA-N -1 0 322.317 -0.072 20 0 DBADRM C[C@H]1C[C@@H](C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CO1 ZINC001609841991 1019579427 /nfs/dbraw/zinc/57/94/27/1019579427.db2.gz ZJCDATIFVWZWQU-DTWKUNHWSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001609862867 1019579469 /nfs/dbraw/zinc/57/94/69/1019579469.db2.gz SGCSZKMGZKIZRX-KCJUWKMLSA-N -1 0 319.317 -0.036 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)C[C@H]1O ZINC001609862575 1019579616 /nfs/dbraw/zinc/57/96/16/1019579616.db2.gz IRLCICOIKUQDMW-BXKDBHETSA-N -1 0 322.317 -0.072 20 0 DBADRM C[C@H]1C[C@H](C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CO1 ZINC001609841993 1019579937 /nfs/dbraw/zinc/57/99/37/1019579937.db2.gz ZJCDATIFVWZWQU-IUCAKERBSA-N -1 0 305.352 -0.440 20 0 DBADRM C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)[C@@H]1C ZINC001609852549 1019580793 /nfs/dbraw/zinc/58/07/93/1019580793.db2.gz PIQZGUSTUSAYRP-WISYIIOYSA-N -1 0 312.366 -0.073 20 0 DBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@@H]1COCCO1)C(=O)[O-] ZINC001609899359 1019590479 /nfs/dbraw/zinc/59/04/79/1019590479.db2.gz BTWZEVNEAYSFEP-ATZCPNFKSA-N -1 0 303.311 -0.440 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC(=O)N1C ZINC001609873792 1019581454 /nfs/dbraw/zinc/58/14/54/1019581454.db2.gz FGFNISLCEVDAJJ-ZETCQYMHSA-N -1 0 301.324 -0.436 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CC(=O)N1C ZINC001609873355 1019581671 /nfs/dbraw/zinc/58/16/71/1019581671.db2.gz NCAFMMDXEBEXLL-QMMMGPOBSA-N -1 0 313.335 -0.369 20 0 DBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001609871236 1019582156 /nfs/dbraw/zinc/58/21/56/1019582156.db2.gz SLBSBJLYGMVJCT-NRWUCQMLSA-N -1 0 323.393 -0.092 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC001609864497 1019583114 /nfs/dbraw/zinc/58/31/14/1019583114.db2.gz BRCXDJINLDKOHE-SSDOTTSWSA-N -1 0 321.289 -0.065 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])CC(=O)N1C ZINC001609873908 1019583607 /nfs/dbraw/zinc/58/36/07/1019583607.db2.gz RJJTXVBZIQIHPZ-LURJTMIESA-N -1 0 319.364 -0.308 20 0 DBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@H](F)C1 ZINC001609870271 1019584226 /nfs/dbraw/zinc/58/42/26/1019584226.db2.gz NFBQLUMOJKUUKP-WDEREUQCSA-N -1 0 315.345 -0.436 20 0 DBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC001609877625 1019585386 /nfs/dbraw/zinc/58/53/86/1019585386.db2.gz AZIOZBMSLSDGKK-ATZCPNFKSA-N -1 0 300.311 -0.034 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001609876850 1019585401 /nfs/dbraw/zinc/58/54/01/1019585401.db2.gz PIKCKMBQWVVLGR-WOPDTQHZSA-N -1 0 315.370 -0.816 20 0 DBADRM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C[C@@H](CO)O1 ZINC001609874646 1019585588 /nfs/dbraw/zinc/58/55/88/1019585588.db2.gz NIDARLBSFCPURU-IUCAKERBSA-N -1 0 316.335 -0.450 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)C(=O)NCCCCC(=O)[O-] ZINC001609876891 1019586274 /nfs/dbraw/zinc/58/62/74/1019586274.db2.gz QNPRYDHWTMBTFN-LLVKDONJSA-N -1 0 315.370 -0.806 20 0 DBADRM C[C@@H]1COCCN1CCNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001609876847 1019586341 /nfs/dbraw/zinc/58/63/41/1019586341.db2.gz PIKCKMBQWVVLGR-GRYCIOLGSA-N -1 0 315.370 -0.816 20 0 DBADRM CC[C@@H](C(=O)NCCn1cc(C(=O)[O-])nn1)N1CCCC1=O ZINC001609884649 1019586405 /nfs/dbraw/zinc/58/64/05/1019586405.db2.gz QZEKGNDDJYLRPR-JTQLQIEISA-N -1 0 309.326 -0.507 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)N2CCn3cnnc3[C@H]2C)C[C@H]1C(=O)[O-] ZINC001609884712 1019586513 /nfs/dbraw/zinc/58/65/13/1019586513.db2.gz JQTDYFDIGREODC-OPRDCNLKSA-N -1 0 321.337 -0.640 20 0 DBADRM CC[C@@H](C(=O)[O-])C(=O)OCCNS(=O)(=O)c1cnn(C)c1 ZINC001609890360 1019589686 /nfs/dbraw/zinc/58/96/86/1019589686.db2.gz AYORSPGFLKFXHP-VIFPVBQESA-N -1 0 319.339 -0.648 20 0 DBADRM CC[C@H](C)C[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)[O-] ZINC001609904845 1019590693 /nfs/dbraw/zinc/59/06/93/1019590693.db2.gz MYGPYKYRIBEEPP-UWVGGRQHSA-N -1 0 311.338 -0.068 20 0 DBADRM CC[C@H](C)[C@@H](O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001609898253 1019590906 /nfs/dbraw/zinc/59/09/06/1019590906.db2.gz AQAKDAWNFOVBKF-WPRPVWTQSA-N -1 0 305.356 -0.347 20 0 DBADRM CCC(CC)(NC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC001609916051 1019591071 /nfs/dbraw/zinc/59/10/71/1019591071.db2.gz IBIPXYOPLZBDLT-UHFFFAOYSA-N -1 0 307.310 -0.349 20 0 DBADRM CC[C@@H](COC)NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001609926116 1019592621 /nfs/dbraw/zinc/59/26/21/1019592621.db2.gz JXULARQHKJBCBQ-VHSXEESVSA-N -1 0 302.327 -0.770 20 0 DBADRM CC[C@@](COC)(NS(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)[O-] ZINC001609926955 1019592976 /nfs/dbraw/zinc/59/29/76/1019592976.db2.gz ZTAHJGVOVZTPJP-KCJUWKMLSA-N -1 0 311.356 -0.405 20 0 DBADRM C[C@H](O)CN(C(=O)Nc1ccc(-c2nn[nH]n2)cn1)[C@@H](C)CO ZINC001575479369 1019593460 /nfs/dbraw/zinc/59/34/60/1019593460.db2.gz AZAWJDJKTSERCL-IUCAKERBSA-N -1 0 321.341 -0.143 20 0 DBADRM CCCC(=O)N1CCC[C@@H]1C(=O)OCC(=O)NCCC(=O)[O-] ZINC001609950126 1019593773 /nfs/dbraw/zinc/59/37/73/1019593773.db2.gz BAQSECZIVIPLKM-SNVBAGLBSA-N -1 0 314.338 -0.088 20 0 DBADRM CCCCOCCNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001609970604 1019594646 /nfs/dbraw/zinc/59/46/46/1019594646.db2.gz NHEYQZBJQDVHNC-QWRGUYRKSA-N -1 0 316.354 -0.787 20 0 DBADRM CCCC[C@H](C(=O)[O-])S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001609962878 1019595129 /nfs/dbraw/zinc/59/51/29/1019595129.db2.gz OPZSCOLNWBLIBR-IWSPIJDZSA-N -1 0 314.381 -0.798 20 0 DBADRM CCC[C@@](C)(O)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001609954204 1019595165 /nfs/dbraw/zinc/59/51/65/1019595165.db2.gz BGMPIAANTUFXQT-CYBMUJFWSA-N -1 0 312.326 -0.276 20 0 DBADRM CCCN(C)S(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001609975721 1019595182 /nfs/dbraw/zinc/59/51/82/1019595182.db2.gz YOOJLSZZXMEQFO-VIFPVBQESA-N -1 0 307.372 -0.762 20 0 DBADRM CCCN1C[C@@H](C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CC1=O ZINC001609978562 1019595271 /nfs/dbraw/zinc/59/52/71/1019595271.db2.gz OVXLAKHORMZARZ-WCQYABFASA-N -1 0 312.366 -0.071 20 0 DBADRM CCCCS(=O)(=O)NCC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001609971829 1019595670 /nfs/dbraw/zinc/59/56/70/1019595670.db2.gz JOSMXLKKFZMUPN-SNVBAGLBSA-N -1 0 322.383 -0.592 20 0 DBADRM CCCN(CCC)S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)OC ZINC001609976844 1019595687 /nfs/dbraw/zinc/59/56/87/1019595687.db2.gz OOWUWRRGRZMTIK-SECBINFHSA-N -1 0 310.372 -0.041 20 0 DBADRM CCC[C@H](C)N1C[C@@H](C(=O)OCC(=O)NCC(=O)[O-])CC1=O ZINC001609955729 1019595726 /nfs/dbraw/zinc/59/57/26/1019595726.db2.gz UDTVOWFBYVGLGO-UWVGGRQHSA-N -1 0 314.338 -0.233 20 0 DBADRM CCN([C@@H]1CCNC1=O)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001609994705 1019598356 /nfs/dbraw/zinc/59/83/56/1019598356.db2.gz FCQYEQZLYQUDKQ-SECBINFHSA-N -1 0 304.368 -0.219 20 0 DBADRM CCN(CCCNC(=O)NCC1(C(=O)[O-])CC1)S(C)(=O)=O ZINC001610002007 1019598818 /nfs/dbraw/zinc/59/88/18/1019598818.db2.gz JSFZRTGYKHPLMY-UHFFFAOYSA-N -1 0 321.399 -0.178 20 0 DBADRM CCCc1c(C(=O)NCCS(N)(=O)=O)[nH]c(C)c1C(=O)[O-] ZINC001609986927 1019599357 /nfs/dbraw/zinc/59/93/57/1019599357.db2.gz VWGJWJHEXGCBPV-UHFFFAOYSA-N -1 0 317.367 -0.008 20 0 DBADRM CCN1CCN(C(=O)CNC(=O)c2ccc(C(=O)[O-])n2C)CC1 ZINC001610006718 1019601044 /nfs/dbraw/zinc/60/10/44/1019601044.db2.gz DFDVCHZDNLKZLR-UHFFFAOYSA-N -1 0 322.365 -0.383 20 0 DBADRM CCNC(=O)CN1CCN(C(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC001610009613 1019601847 /nfs/dbraw/zinc/60/18/47/1019601847.db2.gz QPKNXOSNRLUIAU-UHFFFAOYSA-N -1 0 308.338 -0.393 20 0 DBADRM CCOC(=O)[C@@H](F)C1CN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001610012549 1019602517 /nfs/dbraw/zinc/60/25/17/1019602517.db2.gz JEANKSKGDDMFOA-JTQLQIEISA-N -1 0 314.273 -0.664 20 0 DBADRM CCN1C(=O)[C@H]2CN(c3ncc(C(=O)[O-])cn3)CCN2C1=O ZINC001610005700 1019602605 /nfs/dbraw/zinc/60/26/05/1019602605.db2.gz HYFAKOTWKCWHMJ-SECBINFHSA-N -1 0 305.294 -0.353 20 0 DBADRM CCOC(=O)C(C)(C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001610010656 1019602730 /nfs/dbraw/zinc/60/27/30/1019602730.db2.gz MGQJNRPNJMGCKA-UHFFFAOYSA-N -1 0 310.310 -0.051 20 0 DBADRM CCOC(=O)CN(C)C(=O)CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001610015939 1019605366 /nfs/dbraw/zinc/60/53/66/1019605366.db2.gz LXASHKXLYFWIPL-NXEZZACHSA-N -1 0 302.327 -0.818 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001610017069 1019606382 /nfs/dbraw/zinc/60/63/82/1019606382.db2.gz WZNPOJDRWAHKLA-ONGXEEELSA-N -1 0 323.367 -0.431 20 0 DBADRM CCOC(=O)CCCS(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001610017067 1019606463 /nfs/dbraw/zinc/60/64/63/1019606463.db2.gz WZNPOJDRWAHKLA-MWLCHTKSSA-N -1 0 323.367 -0.431 20 0 DBADRM CCO[C@H]1C[C@@H]1C(=O)O[C@@H]1COC[C@H]1n1cc(C(=O)[O-])nn1 ZINC001610028430 1019606608 /nfs/dbraw/zinc/60/66/08/1019606608.db2.gz GCASRNGQHMKBFG-CDEVMZEPSA-N -1 0 311.294 -0.116 20 0 DBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001610032120 1019606659 /nfs/dbraw/zinc/60/66/59/1019606659.db2.gz YVERELGCXXKDIY-JOYOIKCWSA-N -1 0 310.354 -0.132 20 0 DBADRM CCO[C@@H]1C[C@@H]1C(=O)O[C@@H]1COC[C@H]1n1cc(C(=O)[O-])nn1 ZINC001610028429 1019606755 /nfs/dbraw/zinc/60/67/55/1019606755.db2.gz GCASRNGQHMKBFG-AYHFEMFVSA-N -1 0 311.294 -0.116 20 0 DBADRM CCOC(=O)c1ncc(C(=O)NC[C@](C)(O)C(=O)[O-])s1 ZINC001610023898 1019606775 /nfs/dbraw/zinc/60/67/75/1019606775.db2.gz PFZABPYTOSNRSO-NSHDSACASA-N -1 0 302.308 -0.115 20 0 DBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC3(C2)OCCO3)C1 ZINC001610018096 1019606794 /nfs/dbraw/zinc/60/67/94/1019606794.db2.gz BLNTXZRGVFURFH-CYBMUJFWSA-N -1 0 312.322 -0.715 20 0 DBADRM CC1=C(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CCCO1 ZINC001610053496 1019608070 /nfs/dbraw/zinc/60/80/70/1019608070.db2.gz ARPZXPGAWUAQKA-SNVBAGLBSA-N -1 0 303.336 -0.219 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001610050778 1019608369 /nfs/dbraw/zinc/60/83/69/1019608369.db2.gz DPHKHSZLOYWGQN-UHFFFAOYSA-N -1 0 318.351 -0.357 20 0 DBADRM CCS(=O)(=O)NCCNC(=O)c1c(C)coc1CC(=O)[O-] ZINC001610048054 1019608530 /nfs/dbraw/zinc/60/85/30/1019608530.db2.gz FKHKYTWZUSWNNY-UHFFFAOYSA-N -1 0 318.351 -0.116 20 0 DBADRM CCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001610047944 1019608992 /nfs/dbraw/zinc/60/89/92/1019608992.db2.gz HMRGFQQSSBEQEM-SECBINFHSA-N -1 0 306.365 -0.071 20 0 DBADRM CCc1cc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)n(C)n1 ZINC001610058855 1019609356 /nfs/dbraw/zinc/60/93/56/1019609356.db2.gz IBIOCVZBLLJALB-SCZZXKLOSA-N -1 0 324.337 -0.785 20 0 DBADRM CCc1nc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])no1 ZINC001610071632 1019610399 /nfs/dbraw/zinc/61/03/99/1019610399.db2.gz ZFPGWKWIQGJVGW-QMMMGPOBSA-N -1 0 312.326 -0.023 20 0 DBADRM CCn1cc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cn1 ZINC001610082605 1019611635 /nfs/dbraw/zinc/61/16/35/1019611635.db2.gz PDKNDWQTZRKEKD-ZJUUUORDSA-N -1 0 310.310 -0.722 20 0 DBADRM CCn1cccc(CNC(=O)C(=O)NCCCCC(=O)[O-])c1=O ZINC001610085235 1019611878 /nfs/dbraw/zinc/61/18/78/1019611878.db2.gz PQIRQSDEUZOCDH-UHFFFAOYSA-N -1 0 323.349 -0.145 20 0 DBADRM CCc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@H](O)C(=O)[O-] ZINC001610065608 1019612250 /nfs/dbraw/zinc/61/22/50/1019612250.db2.gz WMUGXCFWOSPCQN-NSHDSACASA-N -1 0 315.347 -0.172 20 0 DBADRM CN(C(=O)[C@H]1CSCN1C(=O)COCC(=O)[O-])C1CC1 ZINC001610088653 1019613815 /nfs/dbraw/zinc/61/38/15/1019613815.db2.gz DZPBATTWTCVIJW-SECBINFHSA-N -1 0 302.352 -0.390 20 0 DBADRM CN(C(=O)CN1C(=O)CNC1=O)c1ccc(OCC(=O)[O-])cc1 ZINC001610087887 1019614524 /nfs/dbraw/zinc/61/45/24/1019614524.db2.gz AQLPRDOJCPYMRP-UHFFFAOYSA-N -1 0 321.289 -0.335 20 0 DBADRM CN(C(=O)C(=O)Nc1cccc(F)c1C(=O)[O-])[C@@H]1CCNC1=O ZINC001610089253 1019614864 /nfs/dbraw/zinc/61/48/64/1019614864.db2.gz CDRGNHTZXFPPHQ-SECBINFHSA-N -1 0 323.280 -0.191 20 0 DBADRM CN(C)c1cc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)ncn1 ZINC001610105430 1019616807 /nfs/dbraw/zinc/61/68/07/1019616807.db2.gz WTANPTFOCBLJRA-BDAKNGLRSA-N -1 0 309.326 -0.158 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001610107260 1019617369 /nfs/dbraw/zinc/61/73/69/1019617369.db2.gz BSZGEKABIZGIMQ-VIFPVBQESA-N -1 0 321.337 -0.053 20 0 DBADRM CN(C)c1cnc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cn1 ZINC001610106553 1019617436 /nfs/dbraw/zinc/61/74/36/1019617436.db2.gz CIXYWTHDPHJDDP-UHFFFAOYSA-N -1 0 317.309 -0.471 20 0 DBADRM CN(C)c1cc(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)ncn1 ZINC001610105432 1019618093 /nfs/dbraw/zinc/61/80/93/1019618093.db2.gz WTANPTFOCBLJRA-IUCAKERBSA-N -1 0 309.326 -0.158 20 0 DBADRM CN(CC(C)(CO)CO)C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001610110323 1019618649 /nfs/dbraw/zinc/61/86/49/1019618649.db2.gz ATROUUSSLBUAFC-UHFFFAOYSA-N -1 0 324.333 -0.227 20 0 DBADRM CN(C)S(=O)(=O)C[C@@H](NC(=O)CCC(=O)[O-])C(F)(F)F ZINC001610103268 1019618703 /nfs/dbraw/zinc/61/87/03/1019618703.db2.gz TWEAFJMQQKDAGE-ZCFIWIBFSA-N -1 0 320.289 -0.210 20 0 DBADRM CN(C[C@H]1CCC[C@H]1O)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001610113941 1019619541 /nfs/dbraw/zinc/61/95/41/1019619541.db2.gz SDMFOCXZDJQXBV-MWLCHTKSSA-N -1 0 317.367 -0.251 20 0 DBADRM CN(CCOCCO)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001610118499 1019619783 /nfs/dbraw/zinc/61/97/83/1019619783.db2.gz ONTCXGGEFZJFMI-UHFFFAOYSA-N -1 0 313.310 -0.871 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1C[C@H]2CCCCN2C1=O ZINC001610114461 1019620317 /nfs/dbraw/zinc/62/03/17/1019620317.db2.gz QFALVAWXVVMDGS-ZJUUUORDSA-N -1 0 319.383 -0.619 20 0 DBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)c1cc(C(=O)[O-])no1 ZINC001610111730 1019620453 /nfs/dbraw/zinc/62/04/53/1019620453.db2.gz WHKSLBOZCAEWCA-SECBINFHSA-N -1 0 313.310 -0.862 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC1(N2CCOCC2)CC1 ZINC001610114278 1019621363 /nfs/dbraw/zinc/62/13/63/1019621363.db2.gz MJXFUYWXXLBPNP-UHFFFAOYSA-N -1 0 321.399 -0.908 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CC(F)(F)C[C@H]1CO ZINC001610114195 1019621375 /nfs/dbraw/zinc/62/13/75/1019621375.db2.gz HRBMKBHVAPRBAZ-ZETCQYMHSA-N -1 0 302.299 -0.660 20 0 DBADRM CN(CCOCCO)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001610118591 1019621469 /nfs/dbraw/zinc/62/14/69/1019621469.db2.gz QHYRCVAZGLUHRH-WDEREUQCSA-N -1 0 309.384 -0.100 20 0 DBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC001610114460 1019621541 /nfs/dbraw/zinc/62/15/41/1019621541.db2.gz QFALVAWXVVMDGS-VHSXEESVSA-N -1 0 319.383 -0.619 20 0 DBADRM CCCCC(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001505950122 1019622208 /nfs/dbraw/zinc/62/22/08/1019622208.db2.gz DYFAMKYJMVHOAH-UHFFFAOYSA-N -1 0 311.342 -0.356 20 0 DBADRM CC[C@@H](NC(=O)N[C@H](C)CC(=O)[O-])C(=O)N1CCOCC1 ZINC001610133259 1019623783 /nfs/dbraw/zinc/62/37/83/1019623783.db2.gz LHNZTAZCBKLNPA-NXEZZACHSA-N -1 0 301.343 -0.214 20 0 DBADRM CNC(=O)[C@@H]1CN(Cc2c(C)nn(CCC(=O)[O-])c2C)CCO1 ZINC001610139753 1019629838 /nfs/dbraw/zinc/62/98/38/1019629838.db2.gz VPJZXJGIMIIVLA-ZDUSSCGKSA-N -1 0 324.381 -0.079 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001610142750 1019631038 /nfs/dbraw/zinc/63/10/38/1019631038.db2.gz NFJRGUSIWAYPRJ-BDAKNGLRSA-N -1 0 307.372 -0.858 20 0 DBADRM CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)NCCCCC(=O)[O-] ZINC001610141739 1019631105 /nfs/dbraw/zinc/63/11/05/1019631105.db2.gz DUSLQPDLYQJDSY-VHSXEESVSA-N -1 0 313.354 -0.612 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001610146376 1019633147 /nfs/dbraw/zinc/63/31/47/1019633147.db2.gz ARUICDDURWGIKS-VIFPVBQESA-N -1 0 315.351 -0.133 20 0 DBADRM CNS(=O)(=O)CC(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001610147011 1019633189 /nfs/dbraw/zinc/63/31/89/1019633189.db2.gz YPXIOUZLEVZQJJ-GFCCVEGCSA-N -1 0 318.326 -0.209 20 0 DBADRM CNS(=O)(=O)NCC(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001610146493 1019633240 /nfs/dbraw/zinc/63/32/40/1019633240.db2.gz FLQLAUICWQJAFV-UHFFFAOYSA-N -1 0 317.323 -0.614 20 0 DBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1nnc2ccccc2n1 ZINC001610150956 1019633811 /nfs/dbraw/zinc/63/38/11/1019633811.db2.gz LOUMDDOOAPWNNI-VIFPVBQESA-N -1 0 304.262 -0.229 20 0 DBADRM COC(=O)[C@H](CC(C)C)NC(=O)CN[C@@]1(C(=O)[O-])CCOC1 ZINC001610151064 1019634470 /nfs/dbraw/zinc/63/44/70/1019634470.db2.gz MXAPOVFZPQBBRH-HZMBPMFUSA-N -1 0 316.354 -0.476 20 0 DBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001610156051 1019636832 /nfs/dbraw/zinc/63/68/32/1019636832.db2.gz VNQMRRRZVPTNPP-SSDOTTSWSA-N -1 0 307.280 -0.902 20 0 DBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H]1CCCC12OCCO2 ZINC001610153727 1019637022 /nfs/dbraw/zinc/63/70/22/1019637022.db2.gz TZMYWOWGQSQBHP-RKDXNWHRSA-N -1 0 301.295 -0.338 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)CCCC(N)=O)[C@@H](C(=O)[O-])C1 ZINC001610174653 1019638469 /nfs/dbraw/zinc/63/84/69/1019638469.db2.gz YUULTGCYQMCKCE-DTWKUNHWSA-N -1 0 300.311 -0.493 20 0 DBADRM COC(=O)[C@H]1CCN(C(=O)c2cnc(OC)nc2)[C@H](C(=O)[O-])C1 ZINC001610164530 1019638508 /nfs/dbraw/zinc/63/85/08/1019638508.db2.gz AJRCYZZBYGGIDT-WPRPVWTQSA-N -1 0 323.305 -0.036 20 0 DBADRM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)CCCC(=O)[O-] ZINC001610166836 1019638662 /nfs/dbraw/zinc/63/86/62/1019638662.db2.gz PKVPIZFACJFHKZ-ZJUUUORDSA-N -1 0 323.367 -0.167 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CCC(=O)N(C)OC ZINC001610167398 1019639660 /nfs/dbraw/zinc/63/96/60/1019639660.db2.gz SSVISRHKNYRMFV-UWVGGRQHSA-N -1 0 302.327 -0.266 20 0 DBADRM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001610173577 1019639972 /nfs/dbraw/zinc/63/99/72/1019639972.db2.gz OJPSJWRPIFVCII-AUTRQRHGSA-N -1 0 322.321 -0.224 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NCCCCC(=O)[O-])[C@@H]1C ZINC001610165011 1019640055 /nfs/dbraw/zinc/64/00/55/1019640055.db2.gz FKULVTHCNNRMMN-NXEZZACHSA-N -1 0 314.338 -0.233 20 0 DBADRM COC(=O)C1CCC(NS(=O)(=O)NC2CC2)(C(=O)[O-])CC1 ZINC001610162205 1019640073 /nfs/dbraw/zinc/64/00/73/1019640073.db2.gz SSWJCZQTGZPHGY-UHFFFAOYSA-N -1 0 320.367 -0.241 20 0 DBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCC(F)F ZINC001610171469 1019640098 /nfs/dbraw/zinc/64/00/98/1019640098.db2.gz LQADCPGHKKZPQB-RNFRBKRXSA-N -1 0 322.264 -0.768 20 0 DBADRM COC(=O)[C@H]1CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CCO1 ZINC001610180239 1019642218 /nfs/dbraw/zinc/64/22/18/1019642218.db2.gz UZVFYPZSFYLBLJ-KOLCDFICSA-N -1 0 302.327 -0.914 20 0 DBADRM COC(=O)C[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-] ZINC001610180933 1019642564 /nfs/dbraw/zinc/64/25/64/1019642564.db2.gz NWHWGDUVISEESH-NSHDSACASA-N -1 0 322.317 -0.522 20 0 DBADRM COC(=O)CC[C@@H](NS(=O)(=O)CC[C@H]1CCOC1)C(=O)[O-] ZINC001610182471 1019645252 /nfs/dbraw/zinc/64/52/52/1019645252.db2.gz IJTOHPSXNYNWEO-NXEZZACHSA-N -1 0 323.367 -0.261 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccc2c1oc(=O)n2C ZINC001610185170 1019645403 /nfs/dbraw/zinc/64/54/03/1019645403.db2.gz MMIHZXRREBGAEH-UHFFFAOYSA-N -1 0 322.273 -0.169 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(-n2ccnn2)cc1 ZINC001610185190 1019645572 /nfs/dbraw/zinc/64/55/72/1019645572.db2.gz OGFMXTBDPDVRFO-UHFFFAOYSA-N -1 0 318.289 -0.033 20 0 DBADRM COC(=O)CN(CC(=O)[O-])Cn1nc2c(OC)cccn2c1=O ZINC001610183855 1019645597 /nfs/dbraw/zinc/64/55/97/1019645597.db2.gz FSVMQIQVJHFOJX-UHFFFAOYSA-N -1 0 324.293 -0.978 20 0 DBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001610182177 1019645740 /nfs/dbraw/zinc/64/57/40/1019645740.db2.gz TZIHRNFVOKARAB-SECBINFHSA-N -1 0 309.322 -0.074 20 0 DBADRM COC(=O)[C@@H](C)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001610189832 1019647191 /nfs/dbraw/zinc/64/71/91/1019647191.db2.gz DCYQZMDGPLBMAO-SSDOTTSWSA-N -1 0 305.312 -0.850 20 0 DBADRM COC(=O)[C@@H](O)CNS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001610192500 1019647367 /nfs/dbraw/zinc/64/73/67/1019647367.db2.gz MMLAOYHKUMTJCR-VIFPVBQESA-N -1 0 323.367 -0.525 20 0 DBADRM COC(=O)NCC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001610188313 1019647440 /nfs/dbraw/zinc/64/74/40/1019647440.db2.gz RALUBVMOVDPAIJ-YUMQZZPRSA-N -1 0 302.283 -0.793 20 0 DBADRM COC(=O)N1CC(NS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001610187567 1019647743 /nfs/dbraw/zinc/64/77/43/1019647743.db2.gz NJRHRCVZKJDQCS-ZJUUUORDSA-N -1 0 320.367 0.000 20 0 DBADRM COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001610190713 1019648114 /nfs/dbraw/zinc/64/81/14/1019648114.db2.gz RNMIUDUBTXMWBL-RQJHMYQMSA-N -1 0 319.291 -0.725 20 0 DBADRM COC(=O)c1cn(CC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])nn1 ZINC001610218823 1019650281 /nfs/dbraw/zinc/65/02/81/1019650281.db2.gz WVBHJHWFEROEHD-YGOYTEALSA-N -1 0 322.321 -0.224 20 0 DBADRM COC(=O)c1ccc(NC(=O)CN2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001610212590 1019651747 /nfs/dbraw/zinc/65/17/47/1019651747.db2.gz YNTKCKGDQMPUPC-NWDGAFQWSA-N -1 0 322.317 -0.069 20 0 DBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@H](C)N1CCNCC1=O ZINC001575595896 1019652826 /nfs/dbraw/zinc/65/28/26/1019652826.db2.gz VHCBMHRQSLXHAR-JTQLQIEISA-N -1 0 309.374 -0.995 20 0 DBADRM CO[C@]1(CNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])CCOC1 ZINC001610234555 1019654022 /nfs/dbraw/zinc/65/40/22/1019654022.db2.gz SNVASONRZQBMKY-HZMBPMFUSA-N -1 0 314.338 -0.626 20 0 DBADRM CO[C@H]1CCCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001610240076 1019654234 /nfs/dbraw/zinc/65/42/34/1019654234.db2.gz ZJNSSRKQNBDAGR-QMMMGPOBSA-N -1 0 310.310 -0.306 20 0 DBADRM CO[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@@H](C(=O)[O-])C1 ZINC001610239399 1019654248 /nfs/dbraw/zinc/65/42/48/1019654248.db2.gz PRYLUFFFCMGBSQ-NXEZZACHSA-N -1 0 322.383 -0.642 20 0 DBADRM COCC(C)(C)CNC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001610242523 1019655321 /nfs/dbraw/zinc/65/53/21/1019655321.db2.gz ONWISKSXBPSUAG-UHFFFAOYSA-N -1 0 312.326 -0.154 20 0 DBADRM COC[C@@H](NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1)C1CC1 ZINC001610246342 1019655692 /nfs/dbraw/zinc/65/56/92/1019655692.db2.gz ZLZGNCHLMXREOX-GHMZBOCLSA-N -1 0 314.338 -0.770 20 0 DBADRM COC[C@H](CNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)OC ZINC001610246209 1019656156 /nfs/dbraw/zinc/65/61/56/1019656156.db2.gz BHRLMJJGDRZCPN-COPLHBTASA-N -1 0 316.354 -0.220 20 0 DBADRM COC[C@H](NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC001610245703 1019656599 /nfs/dbraw/zinc/65/65/99/1019656599.db2.gz DQLFLVHZKWXFLC-DSYKOEDSSA-N -1 0 312.244 -0.341 20 0 DBADRM COC[C@](C)(O)CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001610242978 1019656704 /nfs/dbraw/zinc/65/67/04/1019656704.db2.gz GBDIMYFMFOXMOP-SECBINFHSA-N -1 0 310.353 -0.483 20 0 DBADRM COC[C@](C)(NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC001610244239 1019656963 /nfs/dbraw/zinc/65/69/63/1019656963.db2.gz APGRHRHTZRPHPJ-SKDRFNHKSA-N -1 0 319.379 -0.193 20 0 DBADRM COCC(=O)N(C)CC(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC001610241333 1019657233 /nfs/dbraw/zinc/65/72/33/1019657233.db2.gz SWRMWCCJSCLHQU-UHFFFAOYSA-N -1 0 301.324 -0.091 20 0 DBADRM COC[C@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC001610248479 1019658447 /nfs/dbraw/zinc/65/84/47/1019658447.db2.gz FZXUCBKCRXSCPH-QMMMGPOBSA-N -1 0 320.323 -0.641 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1C)C(N)=O ZINC001610250310 1019658728 /nfs/dbraw/zinc/65/87/28/1019658728.db2.gz HNOLHNKQEXBRRR-SECBINFHSA-N -1 0 316.335 -0.528 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)C(N)=O ZINC001610250309 1019658948 /nfs/dbraw/zinc/65/89/48/1019658948.db2.gz HNNTZKHNVDPJHP-VIFPVBQESA-N -1 0 320.298 -0.698 20 0 DBADRM COC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)OC ZINC001610251345 1019659199 /nfs/dbraw/zinc/65/91/99/1019659199.db2.gz VNVSSEDYUPNPBM-SSDOTTSWSA-N -1 0 323.348 -0.087 20 0 DBADRM COC[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@H]1CCCO1 ZINC001610249843 1019659431 /nfs/dbraw/zinc/65/94/31/1019659431.db2.gz GZGRCWPUYCAXSX-HBNTYKKESA-N -1 0 302.327 -0.325 20 0 DBADRM COC[C@H](NC(=O)c1cncc(N2CCOCC2)c1)C(=O)[O-] ZINC001610248475 1019659502 /nfs/dbraw/zinc/65/95/02/1019659502.db2.gz FSSQKBZAUGTTSM-LBPRGKRZSA-N -1 0 309.322 -0.252 20 0 DBADRM COC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OC ZINC001610251769 1019659890 /nfs/dbraw/zinc/65/98/90/1019659890.db2.gz ZYNLGZBLPLRQOY-LURJTMIESA-N -1 0 307.280 -0.556 20 0 DBADRM COC[C@@]1(C)NC(=O)N(Cc2noc(CCC(=O)[O-])n2)C1=O ZINC001610251112 1019659956 /nfs/dbraw/zinc/65/99/56/1019659956.db2.gz PWXKYEJDYFSKAW-GFCCVEGCSA-N -1 0 312.282 -0.456 20 0 DBADRM CC[C@H](NC(C)=O)C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001506006087 1019660034 /nfs/dbraw/zinc/66/00/34/1019660034.db2.gz OSSCELBSXZVUJL-WPRPVWTQSA-N -1 0 312.374 -0.639 20 0 DBADRM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001610257887 1019661690 /nfs/dbraw/zinc/66/16/90/1019661690.db2.gz JABKSHIJXDHLLX-SSDOTTSWSA-N -1 0 320.323 -0.511 20 0 DBADRM COCCCCNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001610256200 1019661929 /nfs/dbraw/zinc/66/19/29/1019661929.db2.gz MIHKTVDFBCGYFL-SNVBAGLBSA-N -1 0 302.327 -0.769 20 0 DBADRM COCCCOCC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001610257391 1019662496 /nfs/dbraw/zinc/66/24/96/1019662496.db2.gz RHECHRGYFBTYKV-QWRGUYRKSA-N -1 0 317.338 -0.096 20 0 DBADRM COC[C@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)[O-] ZINC001610251868 1019662673 /nfs/dbraw/zinc/66/26/73/1019662673.db2.gz WTXVSLKJCZZZET-NSHDSACASA-N -1 0 305.290 -0.388 20 0 DBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)NCC1(C(=O)[O-])CC1 ZINC001610263485 1019664415 /nfs/dbraw/zinc/66/44/15/1019664415.db2.gz MMULRRRZWFPULY-QWRGUYRKSA-N -1 0 316.354 -0.029 20 0 DBADRM COCCOCCS(=O)(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001610261304 1019664787 /nfs/dbraw/zinc/66/47/87/1019664787.db2.gz VHAQNOYEDYNWEK-UHFFFAOYSA-N -1 0 321.355 -0.319 20 0 DBADRM COCCn1cc(S(=O)(=O)NC(C)(C)[C@H](O)C(=O)[O-])cn1 ZINC001610268475 1019665277 /nfs/dbraw/zinc/66/52/77/1019665277.db2.gz WFVYFBMIHYCHPP-SECBINFHSA-N -1 0 321.355 -0.968 20 0 DBADRM COC[C@H](CO)NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001610267816 1019665315 /nfs/dbraw/zinc/66/53/15/1019665315.db2.gz DVMYETSBTXJMHE-QMMMGPOBSA-N -1 0 307.299 -0.191 20 0 DBADRM COCCS(=O)(=O)CCCN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001610263538 1019665351 /nfs/dbraw/zinc/66/53/51/1019665351.db2.gz GLCSFKMFFWHBOQ-GHMZBOCLSA-N -1 0 309.384 -0.388 20 0 DBADRM COCCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001610261211 1019665495 /nfs/dbraw/zinc/66/54/95/1019665495.db2.gz YJOZIDQXSBQEGA-UHFFFAOYSA-N -1 0 318.351 -0.070 20 0 DBADRM COCCNC(=O)c1ccc(N2C[C@@H](O)C[C@H](C(=O)[O-])C2)nc1 ZINC001610261769 1019665528 /nfs/dbraw/zinc/66/55/28/1019665528.db2.gz OGPGMIMMBSYAEY-RYUDHWBXSA-N -1 0 323.349 -0.270 20 0 DBADRM CCN(C(=O)COC(=O)[C@H](C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001610270579 1019667301 /nfs/dbraw/zinc/66/73/01/1019667301.db2.gz GQSMNPQEZVASTD-RKDXNWHRSA-N -1 0 321.351 -0.714 20 0 DBADRM COc1cc(CC(=O)NC[C@H](O)C(=O)[O-])cc(OC)c1OC ZINC001610294607 1019667463 /nfs/dbraw/zinc/66/74/63/1019667463.db2.gz XWHIMQLSDRJSFU-VIFPVBQESA-N -1 0 313.306 -0.183 20 0 DBADRM CO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)C1 ZINC001610276162 1019667755 /nfs/dbraw/zinc/66/77/55/1019667755.db2.gz CPJGGKQYLRHFDQ-AOOOYVTPSA-N -1 0 324.337 -0.150 20 0 DBADRM COCc1cc(NC(=O)[C@@H](CO)NC(N)=O)cc(C(=O)[O-])c1 ZINC001610269046 1019667779 /nfs/dbraw/zinc/66/77/79/1019667779.db2.gz NSSPIMUFGHGANC-SNVBAGLBSA-N -1 0 311.294 -0.501 20 0 DBADRM COc1cc(C(=O)[O-])ccc1NC(=O)NC(CO)(CO)CO ZINC001610284303 1019668240 /nfs/dbraw/zinc/66/82/40/1019668240.db2.gz ADBJWEXLCGPOTD-UHFFFAOYSA-N -1 0 314.294 -0.769 20 0 DBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001610268985 1019668365 /nfs/dbraw/zinc/66/83/65/1019668365.db2.gz YGIXGAVYSFECTJ-JTQLQIEISA-N -1 0 316.335 -0.494 20 0 DBADRM COc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])nn1C ZINC001610300596 1019668630 /nfs/dbraw/zinc/66/86/30/1019668630.db2.gz WDZLFKTVQOJNES-JGVFFNPUSA-N -1 0 310.310 -0.263 20 0 DBADRM CCN(CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])C1CC1 ZINC001610271036 1019668651 /nfs/dbraw/zinc/66/86/51/1019668651.db2.gz MKHLMYYTCFJTDU-JTQLQIEISA-N -1 0 304.368 -0.819 20 0 DBADRM CO[C@@H]1COC[C@@H]1NC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001610275169 1019668769 /nfs/dbraw/zinc/66/87/69/1019668769.db2.gz MGINZQVOSKZRQR-LPEHRKFASA-N -1 0 304.368 -0.141 20 0 DBADRM COc1ccc([C@H](NC(=O)C(=O)NC2CC2)C(=O)[O-])cc1O ZINC001610321813 1019671611 /nfs/dbraw/zinc/67/16/11/1019671611.db2.gz SGWQBSCGBGBDQT-NSHDSACASA-N -1 0 308.290 -0.079 20 0 DBADRM CS(=O)(=O)NC1CCN(C(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC001610376110 1019672991 /nfs/dbraw/zinc/67/29/91/1019672991.db2.gz VVJQAEXSIPGOCL-UHFFFAOYSA-N -1 0 315.351 -0.133 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CCCC1 ZINC001610373242 1019673781 /nfs/dbraw/zinc/67/37/81/1019673781.db2.gz SFNLCLSCRNNXML-UWVGGRQHSA-N -1 0 319.379 -0.362 20 0 DBADRM CS(=O)(=O)NCCNC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001610374825 1019673904 /nfs/dbraw/zinc/67/39/04/1019673904.db2.gz AGPYFSSCQUQBOF-UHFFFAOYSA-N -1 0 321.380 -0.205 20 0 DBADRM CS(=O)(=O)Cc1noc(CN[C@H]2CCC[C@H]2C(=O)[O-])n1 ZINC001610375343 1019674297 /nfs/dbraw/zinc/67/42/97/1019674297.db2.gz ILCVXJOOVMZTOM-SFYZADRCSA-N -1 0 303.340 -0.043 20 0 DBADRM CS(=O)(=O)NCCC(=O)Nc1cccc(C(=O)[O-])c1N ZINC001610375621 1019674757 /nfs/dbraw/zinc/67/47/57/1019674757.db2.gz QOQGSOMOBNSYBF-UHFFFAOYSA-N -1 0 301.324 -0.155 20 0 DBADRM CS(=O)(=O)C1(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CCCC1 ZINC001610373243 1019675030 /nfs/dbraw/zinc/67/50/30/1019675030.db2.gz SFNLCLSCRNNXML-VHSXEESVSA-N -1 0 319.379 -0.362 20 0 DBADRM C[C@@H]1CN(C(=O)c2cnn(C)c2-n2cnnc2)C[C@H]1C(=O)[O-] ZINC001610392479 1019675847 /nfs/dbraw/zinc/67/58/47/1019675847.db2.gz MBKDGDGWTYHRGG-PSASIEDQSA-N -1 0 304.310 -0.207 20 0 DBADRM CS[C@@H]1CCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1 ZINC001610382972 1019676479 /nfs/dbraw/zinc/67/64/79/1019676479.db2.gz ZMCJXYPWZBULSM-OPRDCNLKSA-N -1 0 316.379 -0.756 20 0 DBADRM C[S@@](=O)CCNC(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001610378873 1019676544 /nfs/dbraw/zinc/67/65/44/1019676544.db2.gz JZJPPMKADAUIBC-HXUWFJFHSA-N -1 0 304.368 -0.806 20 0 DBADRM CS[C@H](CO)[C@H](C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001610381321 1019677350 /nfs/dbraw/zinc/67/73/50/1019677350.db2.gz UANMULHGIONUGV-CAHLUQPWSA-N -1 0 323.396 -0.193 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCCc2ncn(C)n2)C[C@H]1C(=O)[O-] ZINC001610392586 1019677502 /nfs/dbraw/zinc/67/75/02/1019677502.db2.gz HJMSWFRNDMAOOF-NXEZZACHSA-N -1 0 323.353 -0.957 20 0 DBADRM C[S@](=O)C1(CNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])CC1 ZINC001610378664 1019677625 /nfs/dbraw/zinc/67/76/25/1019677625.db2.gz DKSVYGMMGBJSJU-FPVGNUTFSA-N -1 0 316.379 -0.521 20 0 DBADRM C[C@@H]1CN(C(=O)C(=O)NCCc2ccccn2)C[C@H]1C(=O)[O-] ZINC001610392856 1019677732 /nfs/dbraw/zinc/67/77/32/1019677732.db2.gz MWROFVRKPRGRCR-ZYHUDNBSSA-N -1 0 305.334 -0.081 20 0 DBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001610394246 1019679121 /nfs/dbraw/zinc/67/91/21/1019679121.db2.gz ZUPFYVCSYOCANC-PPKCKEKNSA-N -1 0 307.306 -0.111 20 0 DBADRM Cc1c(C(=O)N2CC[C@](F)(C(=O)[O-])C2)nnn1-c1ccn(C)n1 ZINC001610405834 1019679350 /nfs/dbraw/zinc/67/93/50/1019679350.db2.gz JNYMAIFQDXGGBS-CYBMUJFWSA-N -1 0 322.300 -0.052 20 0 DBADRM Cc1c(NC(=O)CN2C(=O)CN(C)C2=O)cnn1CC(=O)[O-] ZINC001610419132 1019679383 /nfs/dbraw/zinc/67/93/83/1019679383.db2.gz HZQVDWXPRJQVSS-UHFFFAOYSA-N -1 0 309.282 -0.891 20 0 DBADRM Cc1c(NC(=O)C(=O)N[C@H](C)c2cn[nH]c2)cnn1CC(=O)[O-] ZINC001610420064 1019679473 /nfs/dbraw/zinc/67/94/73/1019679473.db2.gz IOLRKEKGVOHVGT-SSDOTTSWSA-N -1 0 320.309 -0.185 20 0 DBADRM Cc1c(NC(=O)C(=O)NCC2=CCCOC2)cnn1CC(=O)[O-] ZINC001610420798 1019679728 /nfs/dbraw/zinc/67/97/28/1019679728.db2.gz LYPTWHYKRPLHOZ-UHFFFAOYSA-N -1 0 322.321 -0.322 20 0 DBADRM Cc1c(NC(=O)C(=O)NC[C@H]2CCCOC2)cnn1CC(=O)[O-] ZINC001610420024 1019680024 /nfs/dbraw/zinc/68/00/24/1019680024.db2.gz HVWUOBHJAQNEIM-SNVBAGLBSA-N -1 0 324.337 -0.243 20 0 DBADRM C[C@H]1CN(Cc2oncc2C(=O)[O-])CCN1S(C)(=O)=O ZINC001610395849 1019680685 /nfs/dbraw/zinc/68/06/85/1019680685.db2.gz KNDMALUFPUXWPC-QMMMGPOBSA-N -1 0 303.340 -0.162 20 0 DBADRM Cc1cc(O)cc(=O)n1CCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001610476160 1019681777 /nfs/dbraw/zinc/68/17/77/1019681777.db2.gz WMILTWFZCFNABB-LBPRGKRZSA-N -1 0 324.333 -0.045 20 0 DBADRM CCc1csc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])n1 ZINC001610437861 1019681857 /nfs/dbraw/zinc/68/18/57/1019681857.db2.gz KEGBQBQZBWRHHU-LLVKDONJSA-N -1 0 301.324 -0.404 20 0 DBADRM Cc1cc(O)cc(=O)n1CC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001610475424 1019682756 /nfs/dbraw/zinc/68/27/56/1019682756.db2.gz GDGVPRPPWLVMDD-MWLCHTKSSA-N -1 0 310.306 -0.844 20 0 DBADRM Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)c(C(=O)[O-])[nH]1 ZINC001610469166 1019683029 /nfs/dbraw/zinc/68/30/29/1019683029.db2.gz ILEVHGXNKGBBKU-RMLUDKJBSA-N -1 0 307.306 -0.199 20 0 DBADRM Cc1cc(NC(=O)CSCC(=O)N[C@H](CO)C(=O)[O-])no1 ZINC001610472266 1019683884 /nfs/dbraw/zinc/68/38/84/1019683884.db2.gz VQBHKJOHWAZMQA-SSDOTTSWSA-N -1 0 317.323 -0.784 20 0 DBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H](CO)NC(N)=O ZINC001610477490 1019684405 /nfs/dbraw/zinc/68/44/05/1019684405.db2.gz ZHMGACSRFRZWFE-SNVBAGLBSA-N -1 0 311.294 -0.574 20 0 DBADRM Cc1ccoc1CN(C)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001610537185 1019684832 /nfs/dbraw/zinc/68/48/32/1019684832.db2.gz BYGXFHGRVMAVSU-QWRGUYRKSA-N -1 0 324.333 -0.160 20 0 DBADRM Cc1csc(C(=O)[O-])c1NC(=O)C(=O)NCc1nnn(C)n1 ZINC001610544805 1019686119 /nfs/dbraw/zinc/68/61/19/1019686119.db2.gz AOZZIXDRRLUMIE-UHFFFAOYSA-N -1 0 324.322 -0.467 20 0 DBADRM Cc1ccoc1CN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001610537184 1019686770 /nfs/dbraw/zinc/68/67/70/1019686770.db2.gz BYGXFHGRVMAVSU-MNOVXSKESA-N -1 0 324.333 -0.160 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001610518358 1019686942 /nfs/dbraw/zinc/68/69/42/1019686942.db2.gz LYEXQCOAXAXNHA-RWSFTLGLSA-N -1 0 308.334 -0.113 20 0 DBADRM Cc1cccc(NC(=O)C(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001610525183 1019687038 /nfs/dbraw/zinc/68/70/38/1019687038.db2.gz QNFSLDBQMCXFBH-UHFFFAOYSA-N -1 0 318.293 -0.565 20 0 DBADRM Cc1nc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c(=O)[nH]c1C ZINC001610551461 1019688185 /nfs/dbraw/zinc/68/81/85/1019688185.db2.gz CKIPDMDVVMIKCZ-NSHDSACASA-N -1 0 309.322 -0.316 20 0 DBADRM Cc1nccc(Cn2cnc3c(cnn3CC(=O)[O-])c2=O)n1 ZINC001610566687 1019688311 /nfs/dbraw/zinc/68/83/11/1019688311.db2.gz SOZPYAHLCXELDC-UHFFFAOYSA-N -1 0 300.278 -0.176 20 0 DBADRM Cc1nn(C)c(C)c1NC(=O)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001610568716 1019688691 /nfs/dbraw/zinc/68/86/91/1019688691.db2.gz PEZOTRCVSWYCOX-MYJAWHEDSA-N -1 0 306.322 -0.236 20 0 DBADRM Cc1nccn1CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001610565239 1019689186 /nfs/dbraw/zinc/68/91/86/1019689186.db2.gz KYTFJDRJDKEDHL-KOLCDFICSA-N -1 0 308.338 -0.371 20 0 DBADRM Cc1nccnc1CCNS(=O)(=O)N(C)CCC(=O)[O-] ZINC001610564475 1019689674 /nfs/dbraw/zinc/68/96/74/1019689674.db2.gz BKHSDGVEOJLONB-UHFFFAOYSA-N -1 0 302.356 -0.432 20 0 DBADRM Cc1nnc(CNC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])n1C ZINC001610571426 1019691408 /nfs/dbraw/zinc/69/14/08/1019691408.db2.gz DCTIVFSFSNCESO-VIFPVBQESA-N -1 0 309.326 -0.795 20 0 DBADRM Cc1noc(C)c1NC(=O)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001610576080 1019692315 /nfs/dbraw/zinc/69/23/15/1019692315.db2.gz WPXDUYGPNMYJIV-SCZZXKLOSA-N -1 0 311.294 -0.334 20 0 DBADRM Cc1oc(CNC(=O)N2CCO[C@@H](C(N)=O)C2)cc1C(=O)[O-] ZINC001610584661 1019692545 /nfs/dbraw/zinc/69/25/45/1019692545.db2.gz DLRPJELXRANBHC-SNVBAGLBSA-N -1 0 311.294 -0.318 20 0 DBADRM Cc1noc(CCNC(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)n1 ZINC001610576356 1019692731 /nfs/dbraw/zinc/69/27/31/1019692731.db2.gz SSACFIMHEHRZFI-UHFFFAOYSA-N -1 0 321.293 -0.288 20 0 DBADRM Cc1nn(C)c(C)c1C(=O)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC001610569479 1019693250 /nfs/dbraw/zinc/69/32/50/1019693250.db2.gz YDIIXJKVYWCBOL-QMMMGPOBSA-N -1 0 311.294 -0.648 20 0 DBADRM Cc1occc1C(=O)NCC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001610588120 1019693257 /nfs/dbraw/zinc/69/32/57/1019693257.db2.gz OMRSKXGPLYQEQX-UWVGGRQHSA-N -1 0 310.306 -0.388 20 0 DBADRM C[C@@H](CNC(=O)Cn1ccccc1=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001506054968 1019693554 /nfs/dbraw/zinc/69/35/54/1019693554.db2.gz YFASLJGCGBMGAX-JTQLQIEISA-N -1 0 320.353 -0.691 20 0 DBADRM Cn1cc([C@@H]2C[S@](=O)CCN2C[C@@](C)(O)C(=O)[O-])cn1 ZINC001610602185 1019694125 /nfs/dbraw/zinc/69/41/25/1019694125.db2.gz TZXFEWVFZRNCMC-WNGDHGOHSA-N -1 0 301.368 -0.639 20 0 DBADRM Cn1c(=O)n2c(c1C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)CCCC2 ZINC001610594121 1019694369 /nfs/dbraw/zinc/69/43/69/1019694369.db2.gz ATHPJXJSIVNUIP-UWVGGRQHSA-N -1 0 323.349 -0.569 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)nn1 ZINC001610598820 1019694823 /nfs/dbraw/zinc/69/48/23/1019694823.db2.gz AMWYSNIFPAUXEP-QMMMGPOBSA-N -1 0 305.298 -0.418 20 0 DBADRM Cn1c(=O)[nH]cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1=O ZINC001610594419 1019696181 /nfs/dbraw/zinc/69/61/81/1019696181.db2.gz NNZWHFKLFUQGSR-OYNCUSHFSA-N -1 0 307.306 -0.189 20 0 DBADRM Cn1ccc(CNC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001610608737 1019697412 /nfs/dbraw/zinc/69/74/12/1019697412.db2.gz TYXPGYNCDPWLJV-SNVBAGLBSA-N -1 0 319.325 -0.134 20 0 DBADRM Cn1ccc([C@H](NC(=O)CCCNC(=O)C2CC2)C(=O)[O-])n1 ZINC001610607436 1019697710 /nfs/dbraw/zinc/69/77/10/1019697710.db2.gz BHFZROOWBWVPQW-LBPRGKRZSA-N -1 0 308.338 -0.032 20 0 DBADRM Cn1cc(C[C@@H](O)C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)cn1 ZINC001610603955 1019697788 /nfs/dbraw/zinc/69/77/88/1019697788.db2.gz WWRNLLNBBGWSLA-OLZOCXBDSA-N -1 0 319.317 -0.029 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)cc1C(=O)[O-] ZINC001610604214 1019697819 /nfs/dbraw/zinc/69/78/19/1019697819.db2.gz FFTFIXJZWAVHFP-AOOOYVTPSA-N -1 0 323.305 -0.712 20 0 DBADRM Cn1cc(NC(=O)C(=O)N2CCc3c[nH]nc3C2)cc1C(=O)[O-] ZINC001610604269 1019697825 /nfs/dbraw/zinc/69/78/25/1019697825.db2.gz HBAXPZLOKUGGCD-UHFFFAOYSA-N -1 0 317.305 -0.030 20 0 DBADRM Cn1ccc(S(=O)(=O)N2CCc3[nH]nc(C(=O)[O-])c3C2)n1 ZINC001610609690 1019697926 /nfs/dbraw/zinc/69/79/26/1019697926.db2.gz MBJQYLNYYZUKHC-UHFFFAOYSA-N -1 0 311.323 -0.412 20 0 DBADRM Cn1cc(NC(=O)C(=O)N[C@H](C(N)=O)C(C)(C)C)cc1C(=O)[O-] ZINC001610604623 1019698041 /nfs/dbraw/zinc/69/80/41/1019698041.db2.gz GUJNRTYPEFAFFM-SECBINFHSA-N -1 0 324.337 -0.322 20 0 DBADRM Cn1ccc(CNC(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)n1 ZINC001610608033 1019698479 /nfs/dbraw/zinc/69/84/79/1019698479.db2.gz IWNODCANSLUFMW-NSHDSACASA-N -1 0 320.349 -0.250 20 0 DBADRM Cn1cnn(CC(=O)N[C@H](CC(=O)[O-])c2cccs2)c1=O ZINC001610611282 1019699656 /nfs/dbraw/zinc/69/96/56/1019699656.db2.gz GGNDVXCMSUNDSC-MRVPVSSYSA-N -1 0 310.335 -0.025 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCn1ccnc1 ZINC001610613442 1019700527 /nfs/dbraw/zinc/70/05/27/1019700527.db2.gz AKKCHHHRXNENTL-UHFFFAOYSA-N -1 0 306.282 -0.930 20 0 DBADRM Cn1ncc(CCCNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001610614592 1019700824 /nfs/dbraw/zinc/70/08/24/1019700824.db2.gz UYVLEADOIPJCGW-ONGXEEELSA-N -1 0 311.342 -0.775 20 0 DBADRM Cn1cnc(CNC(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])n1 ZINC001610611267 1019701334 /nfs/dbraw/zinc/70/13/34/1019701334.db2.gz KXYJWTSEFGXTHX-UHFFFAOYSA-N -1 0 321.268 -0.093 20 0 DBADRM Cn1cnn(CC(=O)OCc2ccccc2CC(=O)[O-])c1=O ZINC001610611807 1019701442 /nfs/dbraw/zinc/70/14/42/1019701442.db2.gz AHIJXNQWAYHRBZ-UHFFFAOYSA-N -1 0 305.290 -0.048 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NCCn1cccn1 ZINC001610613956 1019701736 /nfs/dbraw/zinc/70/17/36/1019701736.db2.gz JYYWXIPZWBDYFD-UHFFFAOYSA-N -1 0 306.282 -0.930 20 0 DBADRM Cn1cnc2cc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])ccc21 ZINC001610611427 1019701848 /nfs/dbraw/zinc/70/18/48/1019701848.db2.gz HYOPKSXSPJWUNY-GFCCVEGCSA-N -1 0 316.317 -0.011 20 0 DBADRM Cn1nccc1[C@H](NC(=O)C1CN(CC(F)F)C1)C(=O)[O-] ZINC001610615637 1019702159 /nfs/dbraw/zinc/70/21/59/1019702159.db2.gz AMYWVHYKAGUCDD-JTQLQIEISA-N -1 0 302.281 -0.141 20 0 DBADRM Cn1nncc1NC(=O)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001610617788 1019702456 /nfs/dbraw/zinc/70/24/56/1019702456.db2.gz HXVPHRFBUNEJHY-UHFFFAOYSA-N -1 0 317.305 -0.189 20 0 DBADRM Cn1nncc1NC(=O)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001610617851 1019702661 /nfs/dbraw/zinc/70/26/61/1019702661.db2.gz LIYWEAVUVILYRY-SECBINFHSA-N -1 0 315.289 -0.031 20 0 DBADRM Cn1nnnc1CCNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001610618570 1019702872 /nfs/dbraw/zinc/70/28/72/1019702872.db2.gz WTQJWOFDGSNREG-RKDXNWHRSA-N -1 0 317.371 -0.685 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N[C@H](Cn1ccnc1)C(=O)[O-] ZINC001610617295 1019703631 /nfs/dbraw/zinc/70/36/31/1019703631.db2.gz VUAZPBQBDJQXBP-SECBINFHSA-N -1 0 315.293 -0.557 20 0 DBADRM Cn1nccc1[C@H](NC[C@@H](O)COC1CCOCC1)C(=O)[O-] ZINC001610616249 1019703716 /nfs/dbraw/zinc/70/37/16/1019703716.db2.gz YGMPCGAGUCKFHK-MFKMUULPSA-N -1 0 313.354 -0.308 20 0 DBADRM Cn1nnc2c1nccc2C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001610617276 1019703879 /nfs/dbraw/zinc/70/38/79/1019703879.db2.gz UXWGKZIMRGOMJN-QMMMGPOBSA-N -1 0 305.294 -0.321 20 0 DBADRM Cn1ncc2cc(C(=O)Nc3n[nH]c(CC(=O)[O-])n3)cnc21 ZINC001610615176 1019704153 /nfs/dbraw/zinc/70/41/53/1019704153.db2.gz OCDXOVCMPBOIBP-UHFFFAOYSA-N -1 0 301.266 -0.034 20 0 DBADRM NC(=O)CCCC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001610636891 1019705612 /nfs/dbraw/zinc/70/56/12/1019705612.db2.gz LCOBFVKYZDRGMD-UHFFFAOYSA-N -1 0 309.326 -0.205 20 0 DBADRM NC(=O)COc1cccc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c1 ZINC001610636247 1019705735 /nfs/dbraw/zinc/70/57/35/1019705735.db2.gz HDRBQZRKULAKBE-YPMHNXCESA-N -1 0 322.317 -0.399 20 0 DBADRM NC(=O)[C@@H]1CCCCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001610634996 1019706149 /nfs/dbraw/zinc/70/61/49/1019706149.db2.gz IPBZMRUHGJYUCI-VIFPVBQESA-N -1 0 304.368 -0.089 20 0 DBADRM NC(=O)[C@@H]1CN(C(=O)Nc2cccc(CC(=O)[O-])n2)CCO1 ZINC001610637021 1019706967 /nfs/dbraw/zinc/70/69/67/1019706967.db2.gz UUFHMKGXYGSICR-VIFPVBQESA-N -1 0 308.294 -0.573 20 0 DBADRM NC(=O)[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccc(F)cc1 ZINC001610637358 1019707190 /nfs/dbraw/zinc/70/71/90/1019707190.db2.gz SSWOVDUFPFPSFQ-NSHDSACASA-N -1 0 321.268 -0.542 20 0 DBADRM NC(=O)C1(O)CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC001610635825 1019707463 /nfs/dbraw/zinc/70/74/63/1019707463.db2.gz XTJBVJISVGIBLV-UHFFFAOYSA-N -1 0 321.333 -0.365 20 0 DBADRM NC(=O)c1ccccc1NC(=O)CN1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001610640227 1019708300 /nfs/dbraw/zinc/70/83/00/1019708300.db2.gz WGRHSHBHHXDOIQ-IWIIMEHWSA-N -1 0 303.318 -0.014 20 0 DBADRM NC(=O)c1ccc(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1 ZINC001610640140 1019708571 /nfs/dbraw/zinc/70/85/71/1019708571.db2.gz GPQUSGZHATUGOW-RYUDHWBXSA-N -1 0 321.333 -0.238 20 0 DBADRM NC(=O)c1ccc(OCC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1 ZINC001610641574 1019708774 /nfs/dbraw/zinc/70/87/74/1019708774.db2.gz WPZROCICOMKDAV-WDEREUQCSA-N -1 0 322.317 -0.542 20 0 DBADRM NC(=O)NCc1ccc(C(=O)OCC(=O)NCCC(=O)[O-])cc1 ZINC001610638534 1019708957 /nfs/dbraw/zinc/70/89/57/1019708957.db2.gz SCNDHDKIPGMXJG-UHFFFAOYSA-N -1 0 323.305 -0.397 20 0 DBADRM NC(=O)c1cn(CC(=O)N[C@H](CO)C(=O)[O-])c2ccccc12 ZINC001610639978 1019709671 /nfs/dbraw/zinc/70/96/71/1019709671.db2.gz MXQSJXWMATUXCK-SNVBAGLBSA-N -1 0 305.290 -0.698 20 0 DBADRM NC(=O)c1ccc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)nc1 ZINC001610639477 1019709955 /nfs/dbraw/zinc/70/99/55/1019709955.db2.gz GBHKQVDZQFODIX-LLVKDONJSA-N -1 0 307.306 -0.522 20 0 DBADRM NC(=O)c1ccc(C(=O)NCC2(C(=O)[O-])CCOCC2)cn1 ZINC001610639703 1019710028 /nfs/dbraw/zinc/71/00/28/1019710028.db2.gz WCXVOZZZDLHSGX-UHFFFAOYSA-N -1 0 307.306 -0.208 20 0 DBADRM NC(=O)c1ccc(CC(=O)OCC(=O)NCCC(=O)[O-])cc1 ZINC001610640743 1019710501 /nfs/dbraw/zinc/71/05/01/1019710501.db2.gz UKYQGUFRXVHBFE-UHFFFAOYSA-N -1 0 308.290 -0.538 20 0 DBADRM N=C1NC(=O)C(CC(=O)N2CCSC[C@H](C(=O)[O-])C2)S1 ZINC001610643679 1019711593 /nfs/dbraw/zinc/71/15/93/1019711593.db2.gz UDVNUNNFUOFFCI-RNFRBKRXSA-N -1 0 317.392 -0.181 20 0 DBADRM CN(C[C@H]1CCCN(C(=O)CCC(=O)[O-])C1)S(C)(=O)=O ZINC001610920711 1019749898 /nfs/dbraw/zinc/74/98/98/1019749898.db2.gz UWWCSHSOZUMEFC-SNVBAGLBSA-N -1 0 306.384 -0.019 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H](CC(F)F)C(=O)[O-])o1 ZINC001610647747 1019712287 /nfs/dbraw/zinc/71/22/87/1019712287.db2.gz NOBHNYLLONILHQ-SCSAIBSYSA-N -1 0 312.250 -0.235 20 0 DBADRM NS(=O)(=O)c1ccc(C(=O)OCC(=O)CCC(=O)[O-])s1 ZINC001610647729 1019712471 /nfs/dbraw/zinc/71/24/71/1019712471.db2.gz MMIUWMWYDPSXHT-UHFFFAOYSA-N -1 0 321.332 -0.014 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)co1 ZINC001610645921 1019712746 /nfs/dbraw/zinc/71/27/46/1019712746.db2.gz POZFILWCKLXSQK-ZETCQYMHSA-N -1 0 302.308 -0.136 20 0 DBADRM Nc1ccccc1S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001610648272 1019712782 /nfs/dbraw/zinc/71/27/82/1019712782.db2.gz PELHTOVCAILXKB-IUCAKERBSA-N -1 0 300.336 -0.275 20 0 DBADRM O=C([O-])c1ccc(NC(=O)CN2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC001610662908 1019713546 /nfs/dbraw/zinc/71/35/46/1019713546.db2.gz UCSQRVGZFCVZMF-AAEUAGOBSA-N -1 0 308.334 -0.002 20 0 DBADRM O=C([O-])c1n[nH]c2ccc(NC(=O)CN3CCNCC3=O)cc21 ZINC001610663324 1019713933 /nfs/dbraw/zinc/71/39/33/1019713933.db2.gz QIVCAIXCPFVEKF-UHFFFAOYSA-N -1 0 317.305 -0.369 20 0 DBADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CCOCC2)C1 ZINC001610653183 1019714243 /nfs/dbraw/zinc/71/42/43/1019714243.db2.gz SXHFNXFBKDNXBR-LLVKDONJSA-N -1 0 324.255 -0.289 20 0 DBADRM O=C([O-])c1ccccc1NC(=O)CN1CC[C@H](CO)[C@@H](O)C1 ZINC001610662124 1019714454 /nfs/dbraw/zinc/71/44/54/1019714454.db2.gz ALIFVPSVXZYPIQ-MFKMUULPSA-N -1 0 308.334 -0.002 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC001610663610 1019714617 /nfs/dbraw/zinc/71/46/17/1019714617.db2.gz YNJKKBFNDIMQDE-AWEZNQCLSA-N -1 0 321.377 -0.634 20 0 DBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)C1=COCCC1 ZINC001506083949 1019715201 /nfs/dbraw/zinc/71/52/01/1019715201.db2.gz JFLNHLRGXIVGPC-UHFFFAOYSA-N -1 0 323.353 -0.742 20 0 DBADRM O=C([O-])c1cnc(C(=O)NCCC(=O)Nc2ccncc2)cn1 ZINC001610657086 1019715628 /nfs/dbraw/zinc/71/56/28/1019715628.db2.gz MNTHFPQOWRCFGX-UHFFFAOYSA-N -1 0 315.289 -0.250 20 0 DBADRM O=C([O-])c1cccc(NC(=O)CN2CC[C@H](CO)[C@H](O)C2)n1 ZINC001610662935 1019715901 /nfs/dbraw/zinc/71/59/01/1019715901.db2.gz WCBIPQXVTFLZNE-MWLCHTKSSA-N -1 0 309.322 -0.607 20 0 DBADRM O=C([O-])[C@H](Cn1ccnc1)NC(=O)c1cccc2ncnn21 ZINC001610681059 1019716963 /nfs/dbraw/zinc/71/69/63/1019716963.db2.gz DNWGAOGCAJKMGF-VIFPVBQESA-N -1 0 300.278 -0.191 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC001610671044 1019717258 /nfs/dbraw/zinc/71/72/58/1019717258.db2.gz DSXMYSVAFBNVDB-NSHDSACASA-N -1 0 308.290 -0.488 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)CNC(=O)c1cc(Cl)ccn1 ZINC001610665008 1019717736 /nfs/dbraw/zinc/71/77/36/1019717736.db2.gz QXYFFCZOIFMOOA-QMMMGPOBSA-N -1 0 301.686 -0.974 20 0 DBADRM O=C([O-])c1cn(CC(=O)NCC(=O)NCCO)c2ccccc12 ZINC001610665865 1019717920 /nfs/dbraw/zinc/71/79/20/1019717920.db2.gz LWIVODALXDFFOH-UHFFFAOYSA-N -1 0 319.317 -0.436 20 0 DBADRM O=C([O-])C12CCC(C(=O)NCC(=O)N3CCOCC3)(CC1)C2 ZINC001610665869 1019718980 /nfs/dbraw/zinc/71/89/80/1019718980.db2.gz MALUQXDGKWPEJI-UHFFFAOYSA-N -1 0 310.350 -0.004 20 0 DBADRM O=C([O-])[C@@H](O)CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001610695806 1019720581 /nfs/dbraw/zinc/72/05/81/1019720581.db2.gz QUWQLXPFOGSUAR-MNOVXSKESA-N -1 0 313.354 -0.524 20 0 DBADRM O=C([O-])c1sccc1NC(=O)C(=O)NCCOCCO ZINC001610693766 1019720681 /nfs/dbraw/zinc/72/06/81/1019720681.db2.gz GJWVFWIEASYSRT-UHFFFAOYSA-N -1 0 302.308 -0.490 20 0 DBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC001610692114 1019721477 /nfs/dbraw/zinc/72/14/77/1019721477.db2.gz INFQUEGOXLNXQH-NXEZZACHSA-N -1 0 323.349 -0.953 20 0 DBADRM O=C([O-])C1(CNC(=O)NC[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001610690310 1019721525 /nfs/dbraw/zinc/72/15/25/1019721525.db2.gz GUINAEYITAXIPN-SECBINFHSA-N -1 0 304.368 -0.025 20 0 DBADRM O=C([O-])C1(CS(=O)(=O)NC[C@@H]2CN3CCN2CC3)CCC1 ZINC001610727141 1019722658 /nfs/dbraw/zinc/72/26/58/1019722658.db2.gz BRLFFGWLGKGEHL-LLVKDONJSA-N -1 0 317.411 -0.840 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)NC[C@@H]2COCCO2)CC1 ZINC001610721482 1019722848 /nfs/dbraw/zinc/72/28/48/1019722848.db2.gz BPCZYHMTZKLPMO-GHMZBOCLSA-N -1 0 302.327 -0.731 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC001610702083 1019723326 /nfs/dbraw/zinc/72/33/26/1019723326.db2.gz ZCQABDCLMBXKQL-NSHDSACASA-N -1 0 320.301 -0.489 20 0 DBADRM O=C([O-])[C@H](CF)NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001610717845 1019723339 /nfs/dbraw/zinc/72/33/39/1019723339.db2.gz YLXDIOPJFRWRFG-HCWXCVPCSA-N -1 0 300.208 -0.018 20 0 DBADRM O=C([O-])[C@H](O)C1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC001610721112 1019724140 /nfs/dbraw/zinc/72/41/40/1019724140.db2.gz HIWKYSBRHCJLTM-WDEREUQCSA-N -1 0 319.379 -0.362 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2cc3c(cn2)OCCO3)C1 ZINC001610737069 1019724891 /nfs/dbraw/zinc/72/48/91/1019724891.db2.gz IYCGCEPOALAHMB-DTWKUNHWSA-N -1 0 308.290 -0.240 20 0 DBADRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1cc2c(cn1)OCCO2 ZINC001610731817 1019725793 /nfs/dbraw/zinc/72/57/93/1019725793.db2.gz BCYNQOAANVJGSD-CABZTGNLSA-N -1 0 308.290 -0.097 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001610734800 1019725810 /nfs/dbraw/zinc/72/58/10/1019725810.db2.gz LGJPNFJRVQOAQU-FXPVBKGRSA-N -1 0 322.321 -0.943 20 0 DBADRM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001610732016 1019725829 /nfs/dbraw/zinc/72/58/29/1019725829.db2.gz TYJNZLHNDKGCSA-UISBYWKRSA-N -1 0 322.321 -0.801 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001610734802 1019725902 /nfs/dbraw/zinc/72/59/02/1019725902.db2.gz LGJPNFJRVQOAQU-KKZNHRDASA-N -1 0 322.321 -0.943 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCc2nc(C3CC3)no2)C1 ZINC001610737707 1019726280 /nfs/dbraw/zinc/72/62/80/1019726280.db2.gz LGYLHZLXLHHAFL-BDAKNGLRSA-N -1 0 310.310 -0.076 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC001610737986 1019728826 /nfs/dbraw/zinc/72/88/26/1019728826.db2.gz MOZUIIBYCLMCJB-NXEZZACHSA-N -1 0 317.305 -0.430 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCc2noc(C3CC3)n2)C1 ZINC001610738401 1019729223 /nfs/dbraw/zinc/72/92/23/1019729223.db2.gz PEYPZEFXEDPNDM-BDAKNGLRSA-N -1 0 310.310 -0.076 20 0 DBADRM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC001610739356 1019729301 /nfs/dbraw/zinc/72/93/01/1019729301.db2.gz XIOBUHYHAOEKTD-VWYCJHECSA-N -1 0 308.338 -0.325 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CCO1 ZINC001610746642 1019729723 /nfs/dbraw/zinc/72/97/23/1019729723.db2.gz WHKIGTJYDXXKCW-JGVFFNPUSA-N -1 0 324.255 -0.148 20 0 DBADRM O=C([O-])C1CCN(C(=O)CSc2n[nH]c(CO)n2)CC1 ZINC001610742577 1019729811 /nfs/dbraw/zinc/72/98/11/1019729811.db2.gz JCWIXMXJHNSEFN-UHFFFAOYSA-N -1 0 300.340 -0.288 20 0 DBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)NCc2cccc(O)c2)CCO1 ZINC001610762635 1019730922 /nfs/dbraw/zinc/73/09/22/1019730922.db2.gz GDXJIAJOCNLMPM-LBPRGKRZSA-N -1 0 322.317 -0.290 20 0 DBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)CCO1 ZINC001610762389 1019732221 /nfs/dbraw/zinc/73/22/21/1019732221.db2.gz DSEXDLRNDJUENA-WISYIIOYSA-N -1 0 310.350 -0.007 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc(OC2COC2)cc1 ZINC001610779667 1019733978 /nfs/dbraw/zinc/73/39/78/1019733978.db2.gz CDYLAFAHPVBRRB-UHFFFAOYSA-N -1 0 308.290 -0.006 20 0 DBADRM O=C([O-])C[C@@H]1COCCN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001610764374 1019734106 /nfs/dbraw/zinc/73/41/06/1019734106.db2.gz HGXVZTNKIBBCQW-SNVBAGLBSA-N -1 0 324.337 -0.917 20 0 DBADRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1 ZINC001610782095 1019738036 /nfs/dbraw/zinc/73/80/36/1019738036.db2.gz WJTJSDNTMRPKGO-LLVKDONJSA-N -1 0 319.317 -0.183 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCN3C(=O)OCC[C@H]3C2)nn1 ZINC001610859288 1019741310 /nfs/dbraw/zinc/74/13/10/1019741310.db2.gz MIHKMXAIIVCIDH-QMMMGPOBSA-N -1 0 309.282 -0.971 20 0 DBADRM O=C([O-])c1ccc(N2CCN(C(=O)c3cncnc3)CC2)nn1 ZINC001610833424 1019741647 /nfs/dbraw/zinc/74/16/47/1019741647.db2.gz DPNOOHYLXGQNPF-UHFFFAOYSA-N -1 0 314.305 -0.073 20 0 DBADRM O=C([O-])c1cc(Cl)ccc1S(=O)(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC001610812139 1019741685 /nfs/dbraw/zinc/74/16/85/1019741685.db2.gz ANCFWWREKIUIDT-DTORHVGOSA-N -1 0 321.738 -0.236 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)C2)nn1 ZINC001610857951 1019741822 /nfs/dbraw/zinc/74/18/22/1019741822.db2.gz FZEMOVQJHNOAPO-REIXXSIJSA-N -1 0 307.310 -0.423 20 0 DBADRM O=C([O-])c1cn(C2CN(C(=O)[C@H]3CCc4c[nH]nc4C3)C2)nn1 ZINC001610858564 1019742041 /nfs/dbraw/zinc/74/20/41/1019742041.db2.gz ZCNJEPRXOXKRNO-QMMMGPOBSA-N -1 0 316.321 -0.112 20 0 DBADRM O=C([O-])c1ccc(N2CCN(C(=O)C3=COCCO3)CC2)nn1 ZINC001610833112 1019742561 /nfs/dbraw/zinc/74/25/61/1019742561.db2.gz XWQAMYFZYUMREY-UHFFFAOYSA-N -1 0 320.305 -0.288 20 0 DBADRM O=C([O-])c1ccc(N2CCN(C(=O)c3cnccn3)CC2)nn1 ZINC001610833510 1019742825 /nfs/dbraw/zinc/74/28/25/1019742825.db2.gz JSROGNAIDDXNBR-UHFFFAOYSA-N -1 0 314.305 -0.073 20 0 DBADRM O=C([O-])c1cccc(C(=O)NCCNC(=O)c2ccn[nH]2)n1 ZINC001610844684 1019742901 /nfs/dbraw/zinc/74/29/01/1019742901.db2.gz WNXJVQSNXSCJLJ-UHFFFAOYSA-N -1 0 303.278 -0.337 20 0 DBADRM O=C([O-])c1cn([C@@H]2CCN(S(=O)(=O)N3CCC3)C2)nn1 ZINC001610857479 1019742985 /nfs/dbraw/zinc/74/29/85/1019742985.db2.gz CINUPVKTUKLARP-MRVPVSSYSA-N -1 0 301.328 -0.826 20 0 DBADRM O=C([O-])c1cnc(C(=O)OCCN2CCCS2(=O)=O)cn1 ZINC001610862813 1019746902 /nfs/dbraw/zinc/74/69/02/1019746902.db2.gz HQOPXZHSQBNMQZ-UHFFFAOYSA-N -1 0 315.307 -0.633 20 0 DBADRM O=C([O-])[C@H](CO)NC(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC001610883629 1019746919 /nfs/dbraw/zinc/74/69/19/1019746919.db2.gz NUKRELATALOWLD-NSHDSACASA-N -1 0 308.290 -0.488 20 0 DBADRM O=C([O-])c1coc(S(=O)(=O)NCc2nnc3n2CCC3)c1 ZINC001610868136 1019747822 /nfs/dbraw/zinc/74/78/22/1019747822.db2.gz VIMIOGXDNADJIB-UHFFFAOYSA-N -1 0 312.307 -0.006 20 0 DBADRM O=C([O-])c1cn(C2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)nn1 ZINC001610884409 1019748120 /nfs/dbraw/zinc/74/81/20/1019748120.db2.gz PQQJFWZQCBZHFQ-VIFPVBQESA-N -1 0 321.337 -0.334 20 0 DBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)nn1 ZINC001610860797 1019748134 /nfs/dbraw/zinc/74/81/34/1019748134.db2.gz UTORYIFTGICVBR-IONNQARKSA-N -1 0 322.243 -0.110 20 0 DBADRM O=C([O-])c1csc(NC(=O)C(=O)N2CCNC(=O)CC2)c1 ZINC001610882631 1019748767 /nfs/dbraw/zinc/74/87/67/1019748767.db2.gz NAVUJEQOJUIJPR-UHFFFAOYSA-N -1 0 311.319 -0.267 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001610920508 1019749143 /nfs/dbraw/zinc/74/91/43/1019749143.db2.gz KXUYGFXBJSKCSN-SSDOTTSWSA-N -1 0 312.244 -0.291 20 0 DBADRM CN(C)C(=O)c1ccnc(NC(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001610894305 1019749268 /nfs/dbraw/zinc/74/92/68/1019749268.db2.gz NAVGIJAJRPSAST-ZDUSSCGKSA-N -1 0 310.310 -0.260 20 0 DBADRM CN(CC(=O)OCc1cn(CC(=O)[O-])nn1)[C@H]1CCSC1 ZINC001610916133 1019749284 /nfs/dbraw/zinc/74/92/84/1019749284.db2.gz BVMFRODZHAHSTP-JTQLQIEISA-N -1 0 314.367 -0.157 20 0 DBADRM CN(C)c1ncncc1NC(=O)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC001610904617 1019749370 /nfs/dbraw/zinc/74/93/70/1019749370.db2.gz DBOCFTBXDBDVHN-VIFPVBQESA-N -1 0 307.310 -0.443 20 0 DBADRM O=Cc1ccccc1S(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001610887275 1019749949 /nfs/dbraw/zinc/74/99/49/1019749949.db2.gz AZAGRWPNIGQLMD-WDEREUQCSA-N -1 0 313.331 -0.045 20 0 DBADRM O=C([O-])c1cc(F)ccc1S(=O)(=O)N1CCNC(=O)C1 ZINC001610886630 1019750080 /nfs/dbraw/zinc/75/00/80/1019750080.db2.gz YYHKUOSJLNWIGJ-UHFFFAOYSA-N -1 0 302.283 -0.356 20 0 DBADRM C[C@@]1(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)CCOC1=O ZINC001575849438 1019750376 /nfs/dbraw/zinc/75/03/76/1019750376.db2.gz HGNUTTXFNZLSBC-LLVKDONJSA-N -1 0 324.322 -0.754 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC001610920473 1019750571 /nfs/dbraw/zinc/75/05/71/1019750571.db2.gz IDNXGOPYEHCLPB-UHFFFAOYSA-N -1 0 323.305 -0.578 20 0 DBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CCCc2c1cnn2C ZINC001610920767 1019750815 /nfs/dbraw/zinc/75/08/15/1019750815.db2.gz YVPXCGRNPOUHAT-JTQLQIEISA-N -1 0 308.338 -0.153 20 0 DBADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC001610887701 1019751263 /nfs/dbraw/zinc/75/12/63/1019751263.db2.gz WPOVHENEAMLXSD-GUBZILKMSA-N -1 0 309.322 -0.360 20 0 DBADRM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001610886928 1019751344 /nfs/dbraw/zinc/75/13/44/1019751344.db2.gz LQPNSNVHQQKRLV-IUCAKERBSA-N -1 0 321.289 -0.680 20 0 DBADRM COC(=O)c1cc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c[nH]1 ZINC001610976841 1019751778 /nfs/dbraw/zinc/75/17/78/1019751778.db2.gz TVJMSIXRMUCGPP-JTQLQIEISA-N -1 0 316.335 -0.515 20 0 DBADRM COC(=O)[C@@H]1CCN(C(=O)CCC(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001610968784 1019752271 /nfs/dbraw/zinc/75/22/71/1019752271.db2.gz NCCZUHUQTJOXOK-RKDXNWHRSA-N -1 0 301.295 -0.196 20 0 DBADRM CN(Cc1cccnc1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001610944742 1019752429 /nfs/dbraw/zinc/75/24/29/1019752429.db2.gz DPDDCKRAJLGDCQ-LLVKDONJSA-N -1 0 307.306 -0.648 20 0 DBADRM COC(=O)CCN(C)S(=O)(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC001610968571 1019753385 /nfs/dbraw/zinc/75/33/85/1019753385.db2.gz AKJVCJDKQWOHGX-MRVPVSSYSA-N -1 0 308.356 -0.336 20 0 DBADRM COC(=O)[C@@H](NC(=O)CSCC(=O)[O-])c1ccn(C)n1 ZINC001610965239 1019753561 /nfs/dbraw/zinc/75/35/61/1019753561.db2.gz TZDJHBDCQZHIKU-JTQLQIEISA-N -1 0 301.324 -0.432 20 0 DBADRM COc1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1OCCO ZINC001611040722 1019754740 /nfs/dbraw/zinc/75/47/40/1019754740.db2.gz FDSYRFCGYRVKBH-AWEZNQCLSA-N -1 0 313.306 -0.368 20 0 DBADRM COC[C@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CCO1 ZINC001611000252 1019754870 /nfs/dbraw/zinc/75/48/70/1019754870.db2.gz IZXMJRAWUALQDP-VHSXEESVSA-N -1 0 302.327 -0.961 20 0 DBADRM COCCn1cc(NC(=O)NC[C@@](C)(O)C(=O)[O-])ccc1=O ZINC001611015649 1019755221 /nfs/dbraw/zinc/75/52/21/1019755221.db2.gz CNHFCDMNQKQTCB-CYBMUJFWSA-N -1 0 313.310 -0.548 20 0 DBADRM COc1c(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])cccc1C(N)=O ZINC001611024031 1019755976 /nfs/dbraw/zinc/75/59/76/1019755976.db2.gz OAFKRKZOCCFDJP-ZETCQYMHSA-N -1 0 323.305 -0.288 20 0 DBADRM C[C@@H](NC(=O)C(=O)Nc1cccc2c1OCC(=O)N2)C(=O)[O-] ZINC001611093271 1019756561 /nfs/dbraw/zinc/75/65/61/1019756561.db2.gz WOGATEXZLFLZPG-ZCFIWIBFSA-N -1 0 307.262 -0.455 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)C2 ZINC001611015652 1019756682 /nfs/dbraw/zinc/75/66/82/1019756682.db2.gz CPEVKSCRDDIZBM-NSHDSACASA-N -1 0 323.309 -0.961 20 0 DBADRM COc1cccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC001611060840 1019756947 /nfs/dbraw/zinc/75/69/47/1019756947.db2.gz QULDBAOOQLWQCB-VIFPVBQESA-N -1 0 314.319 -0.586 20 0 DBADRM Cc1cc(C)c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])[nH]1 ZINC001611137021 1019757354 /nfs/dbraw/zinc/75/73/54/1019757354.db2.gz ZWUMKWHQKFMLPK-SECBINFHSA-N -1 0 300.336 -0.045 20 0 DBADRM Cc1ccnc(CS(=O)(=O)CCS(=O)(=O)CC(=O)[O-])n1 ZINC001611209995 1019757754 /nfs/dbraw/zinc/75/77/54/1019757754.db2.gz BASZPRYUQGLYBK-UHFFFAOYSA-N -1 0 322.364 -0.801 20 0 DBADRM Cc1cc(NC(=O)C(=O)NN2CC(=O)NC2=O)ccc1C(=O)[O-] ZINC001611150543 1019758152 /nfs/dbraw/zinc/75/81/52/1019758152.db2.gz MWJRJIIYEBUOGD-UHFFFAOYSA-N -1 0 320.261 -0.785 20 0 DBADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001611191037 1019758658 /nfs/dbraw/zinc/75/86/58/1019758658.db2.gz IKQOVZDRPDBTCX-GFCCVEGCSA-N -1 0 316.335 -0.792 20 0 DBADRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001611194702 1019758944 /nfs/dbraw/zinc/75/89/44/1019758944.db2.gz FZBSZPSPXYQNSX-XHDPSFHLSA-N -1 0 324.333 -0.780 20 0 DBADRM Cc1cc(NC(=O)C(=O)N(C)CCC(=O)[O-])cc(C(N)=O)c1 ZINC001611146362 1019759615 /nfs/dbraw/zinc/75/96/15/1019759615.db2.gz DLYIHXWARLUIRA-UHFFFAOYSA-N -1 0 307.306 -0.034 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001611194701 1019759627 /nfs/dbraw/zinc/75/96/27/1019759627.db2.gz FZBSZPSPXYQNSX-NHYWBVRUSA-N -1 0 324.333 -0.780 20 0 DBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCC1(NC(=O)C2CC2)CC1 ZINC001506139529 1019759872 /nfs/dbraw/zinc/75/98/72/1019759872.db2.gz RABAPGINYDUTEY-UHFFFAOYSA-N -1 0 321.337 -0.610 20 0 DBADRM Cc1noc(C2(C)CCN(C(=O)C(=O)NCCC(=O)[O-])CC2)n1 ZINC001611266206 1019761008 /nfs/dbraw/zinc/76/10/08/1019761008.db2.gz OVZMILSRKWYJDC-UHFFFAOYSA-N -1 0 324.337 -0.151 20 0 DBADRM Cn1nc2c(c1NC(=O)C(=O)N1CCC[C@@H]1C(=O)[O-])CCC2 ZINC001611285987 1019762540 /nfs/dbraw/zinc/76/25/40/1019762540.db2.gz KFKKVFXMJSAZIA-SNVBAGLBSA-N -1 0 306.322 -0.077 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)N2CC[C@H](C(=O)N3CCCC3)C2)C1 ZINC001611362530 1019762832 /nfs/dbraw/zinc/76/28/32/1019762832.db2.gz WICJUXGDWPTTBE-GXSJLCMTSA-N -1 0 309.322 -0.313 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CCO1 ZINC001611391788 1019762984 /nfs/dbraw/zinc/76/29/84/1019762984.db2.gz SUPITPQLDOIJPR-OUAUKWLOSA-N -1 0 322.317 -0.750 20 0 DBADRM O=C([O-])C1=NO[C@@H](C(=O)NC[C@H]2CCCS(=O)(=O)C2)C1 ZINC001611362416 1019763046 /nfs/dbraw/zinc/76/30/46/1019763046.db2.gz VDZGUQSEKQXLNT-VXNVDRBHSA-N -1 0 304.324 -0.843 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001611362412 1019763742 /nfs/dbraw/zinc/76/37/42/1019763742.db2.gz VDZGUQSEKQXLNT-CBAPKCEASA-N -1 0 304.324 -0.843 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc[nH]2)CCO1 ZINC001611387312 1019764612 /nfs/dbraw/zinc/76/46/12/1019764612.db2.gz YUAKBGSYWBNHMO-VXGBXAGGSA-N -1 0 321.333 -0.010 20 0 DBADRM O=C([O-])C1=NO[C@H](C(=O)N2CCN(c3cnccn3)CC2)C1 ZINC001611361334 1019764944 /nfs/dbraw/zinc/76/49/44/1019764944.db2.gz BIQINEAJCCYGIA-JTQLQIEISA-N -1 0 305.294 -0.645 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CCc2cc(O)ccc2C1 ZINC001611443510 1019765393 /nfs/dbraw/zinc/76/53/93/1019765393.db2.gz SPWZGLMRPLXVIN-NSHDSACASA-N -1 0 306.318 -0.043 20 0 DBADRM C/C=C(/C)C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001506154052 1019766930 /nfs/dbraw/zinc/76/69/30/1019766930.db2.gz LALXYFNWDLKNLA-CLTKARDFSA-N -1 0 307.310 -0.372 20 0 DBADRM O=C([O-])CCNC(=O)C(=O)NCCC(=O)N1CCCCCC1 ZINC001611443547 1019767300 /nfs/dbraw/zinc/76/73/00/1019767300.db2.gz YCKIIUCDXMWUAB-UHFFFAOYSA-N -1 0 313.354 -0.514 20 0 DBADRM O=C([O-])c1ccc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)c(F)c1 ZINC001611569358 1019768834 /nfs/dbraw/zinc/76/88/34/1019768834.db2.gz YPFKQFSRILMXNM-ZETCQYMHSA-N -1 0 309.253 -0.533 20 0 DBADRM C[C@@H]1CC(=O)NN1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC001575940225 1019769536 /nfs/dbraw/zinc/76/95/36/1019769536.db2.gz XMBWBOLZWFNLCX-SECBINFHSA-N -1 0 315.337 -0.392 20 0 DBADRM CCOC(=O)[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)C(C)C ZINC001616142423 1019776596 /nfs/dbraw/zinc/77/65/96/1019776596.db2.gz NMGUNGKFBYMGTF-UWVGGRQHSA-N -1 0 311.342 -0.065 20 0 DBADRM CCOC(=O)[C@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)C(C)C ZINC001616142425 1019778258 /nfs/dbraw/zinc/77/82/58/1019778258.db2.gz NMGUNGKFBYMGTF-ZJUUUORDSA-N -1 0 311.342 -0.065 20 0 DBADRM COCCOCCOCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001616378329 1019781469 /nfs/dbraw/zinc/78/14/69/1019781469.db2.gz SWJPSFYIOXDBNC-UHFFFAOYSA-N -1 0 316.314 -0.966 20 0 DBADRM COCCCNC(=O)C1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001617834582 1019790668 /nfs/dbraw/zinc/79/06/68/1019790668.db2.gz UDMVCRZHACYLBI-UHFFFAOYSA-N -1 0 324.385 -0.476 20 0 DBADRM CO[N-]C(=O)CNC(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC001618153846 1019791561 /nfs/dbraw/zinc/79/15/61/1019791561.db2.gz PFEXXCLPNGEWGE-HYXAFXHYSA-N -1 0 302.308 -0.510 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@@H](C)N1C(=O)c2ccc(C)cc2C1=O ZINC001618148055 1019793835 /nfs/dbraw/zinc/79/38/35/1019793835.db2.gz GBNFLOVMYKUWKK-SECBINFHSA-N -1 0 319.317 -0.227 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)N(C)CCCNc1ccnc(-c2nnn[n-]2)n1 ZINC001576075505 1019805998 /nfs/dbraw/zinc/80/59/98/1019805998.db2.gz GMEKJWYCDZJWKQ-UWVGGRQHSA-N -1 0 316.369 -0.005 20 0 DBADRM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576085467 1019807432 /nfs/dbraw/zinc/80/74/32/1019807432.db2.gz NVANSBDBUKHMSM-KYXWUPHJSA-N -1 0 314.353 -0.206 20 0 DBADRM C[C@@H]1CC[C@H]1NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576143558 1019813567 /nfs/dbraw/zinc/81/35/67/1019813567.db2.gz VRYZNLAXTZHNMD-HTRCEHHLSA-N -1 0 305.298 -0.956 20 0 DBADRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)CCCF)C1 ZINC001506310246 1019826061 /nfs/dbraw/zinc/82/60/61/1019826061.db2.gz NXKKXAAGZHIPMO-UHFFFAOYSA-N -1 0 313.289 -0.685 20 0 DBADRM C[C@H]1CN(C(=O)NCc2ccc(-c3nn[nH]n3)cn2)CC(=O)N1 ZINC001576276249 1019832128 /nfs/dbraw/zinc/83/21/28/1019832128.db2.gz AMPQJWHODGHCOG-QMMMGPOBSA-N -1 0 316.325 -0.708 20 0 DBADRM CC(=O)N[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCCC1 ZINC001506357208 1019836834 /nfs/dbraw/zinc/83/68/34/1019836834.db2.gz WPCVSZQBNBOZPW-SECBINFHSA-N -1 0 309.326 -0.293 20 0 DBADRM CC(C)=CC(=O)N(C)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001576331927 1019838398 /nfs/dbraw/zinc/83/83/98/1019838398.db2.gz MKIHYLQOAVVAMU-SNVBAGLBSA-N -1 0 323.353 -0.285 20 0 DBADRM CCC(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576407581 1019847280 /nfs/dbraw/zinc/84/72/80/1019847280.db2.gz YUVLYJJXVVYFTB-BDAKNGLRSA-N -1 0 302.342 -0.253 20 0 DBADRM CCC(=O)N1CCO[C@H](CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001576420971 1019848576 /nfs/dbraw/zinc/84/85/76/1019848576.db2.gz KQLYNDYKTBLOKP-SECBINFHSA-N -1 0 318.341 -0.294 20 0 DBADRM CCC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001576471367 1019853631 /nfs/dbraw/zinc/85/36/31/1019853631.db2.gz NFYFWAUYPNZGPI-OWUUHHOZSA-N -1 0 314.353 -0.135 20 0 DBADRM CCC(CC)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001576734931 1019883953 /nfs/dbraw/zinc/88/39/53/1019883953.db2.gz GVCHMPYAHWMYSW-UHFFFAOYSA-N -1 0 321.341 -0.319 20 0 DBADRM CC[C@@H](CNC(=O)[C@H](C)OC)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001576772446 1019888293 /nfs/dbraw/zinc/88/82/93/1019888293.db2.gz BFIFQQYPEMYHRP-IUCAKERBSA-N -1 0 320.357 -0.580 20 0 DBADRM CCC(=O)NCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001506734918 1019895015 /nfs/dbraw/zinc/89/50/15/1019895015.db2.gz HZSSHYAMPNMUQK-SECBINFHSA-N -1 0 324.385 -0.637 20 0 DBADRM CC[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1noc(C)n1 ZINC001576977088 1019971239 /nfs/dbraw/zinc/97/12/39/1019971239.db2.gz YMPOAKXMUTVEBY-ZETCQYMHSA-N -1 0 318.301 -0.583 20 0 DBADRM CN(CCOCCNC(=O)c1cccnc1)Cc1n[nH]c(=O)[n-]1 ZINC001506970791 1020024622 /nfs/dbraw/zinc/02/46/22/1020024622.db2.gz DWIJNTPJQYGJQW-UHFFFAOYSA-N -1 0 320.353 -0.216 20 0 DBADRM CCC[C@H](C)NC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001577301362 1020048708 /nfs/dbraw/zinc/04/87/08/1020048708.db2.gz UPYIKBJKZZRSNW-QMMMGPOBSA-N -1 0 321.341 -0.176 20 0 DBADRM CCC[C@@H](CCO)NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001577322518 1020052107 /nfs/dbraw/zinc/05/21/07/1020052107.db2.gz JJFUQYIFGURSIH-VIFPVBQESA-N -1 0 323.361 -0.692 20 0 DBADRM CCC[C@H](CCO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001577325536 1020055065 /nfs/dbraw/zinc/05/50/65/1020055065.db2.gz CUCDFINSDPHHOX-MRVPVSSYSA-N -1 0 323.357 -0.773 20 0 DBADRM CCN(CCC(=O)NC)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001577909522 1020141295 /nfs/dbraw/zinc/14/12/95/1020141295.db2.gz WAVCYDPEYHRJAK-QMMMGPOBSA-N -1 0 321.345 -0.996 20 0 DBADRM C[C@H](C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1)n1cccc1 ZINC001507189024 1020152605 /nfs/dbraw/zinc/15/26/05/1020152605.db2.gz NNGZLAPVOSNCEC-NXEZZACHSA-N -1 0 308.342 -0.860 20 0 DBADRM O=C(CSc1n[n-]c(=S)s1)N[C@H](CO)c1cn[nH]n1 ZINC001577959635 1020154818 /nfs/dbraw/zinc/15/48/18/1020154818.db2.gz XDEWCWUHFYMWNM-RXMQYKEDSA-N -1 0 318.409 -0.113 20 0 DBADRM CCN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)[C@H]1C[C@H]1C ZINC001578131197 1020193851 /nfs/dbraw/zinc/19/38/51/1020193851.db2.gz BXJRWYNXCIAHPG-ZJUUUORDSA-N -1 0 316.369 -0.005 20 0 DBADRM CCNC(=O)[C@@H](C)NC(=O)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001578227882 1020204635 /nfs/dbraw/zinc/20/46/35/1020204635.db2.gz ZAOQGXRKDNZPSD-SSDOTTSWSA-N -1 0 304.314 -0.092 20 0 DBADRM CCO[C@H](C(=O)Nc1c[nH]nc1-c1nnn[n-]1)[C@H]1CCOC1 ZINC001578274891 1020206458 /nfs/dbraw/zinc/20/64/58/1020206458.db2.gz WIEGTMGHWIMTEZ-XVKPBYJWSA-N -1 0 307.314 -0.030 20 0 DBADRM CCO[C@@H](C)C(=O)N[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001578296066 1020209870 /nfs/dbraw/zinc/20/98/70/1020209870.db2.gz HWQYBDLTDGHYAJ-BDAKNGLRSA-N -1 0 320.357 -0.580 20 0 DBADRM Cc1ncccc1C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001507228535 1020210668 /nfs/dbraw/zinc/21/06/68/1020210668.db2.gz FPUVQPWPOLIJIV-SECBINFHSA-N -1 0 306.326 -0.906 20 0 DBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)CC(=O)N(C)C)C2)c1[O-] ZINC001578357752 1020220152 /nfs/dbraw/zinc/22/01/52/1020220152.db2.gz IJKKQZAAWXDXRX-VIFPVBQESA-N -1 0 323.353 -0.767 20 0 DBADRM CCOCC(=O)NCC1(Nc2nccnc2-c2nn[nH]n2)CC1 ZINC001578360855 1020221774 /nfs/dbraw/zinc/22/17/74/1020221774.db2.gz RGRSETQPVDNTIU-UHFFFAOYSA-N -1 0 318.341 -0.246 20 0 DBADRM CCOCC(=O)NC[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001578364206 1020223343 /nfs/dbraw/zinc/22/33/43/1020223343.db2.gz YSYOLOTYBGBXBI-QMMMGPOBSA-N -1 0 321.341 -0.534 20 0 DBADRM CC/C(C)=C/C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001578556603 1020267834 /nfs/dbraw/zinc/26/78/34/1020267834.db2.gz AXHLVAKUTNENJN-WXTRIPNZSA-N -1 0 323.353 -0.191 20 0 DBADRM CCc1nnc(N2CC[C@@H](O)[C@@H](O)C2)c(-c2nn[nH]n2)c1CC ZINC001578704614 1020285215 /nfs/dbraw/zinc/28/52/15/1020285215.db2.gz MDFMPJRKRRVFLO-MNOVXSKESA-N -1 0 319.369 -0.287 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cccnc2N)c1=O ZINC001578737778 1020287911 /nfs/dbraw/zinc/28/79/11/1020287911.db2.gz RTUYPURFRPFARH-UHFFFAOYSA-N -1 0 314.309 -0.765 20 0 DBADRM CCC(=O)NCC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001507370017 1020304893 /nfs/dbraw/zinc/30/48/93/1020304893.db2.gz SXCBRXLOMIGSTO-ZJUUUORDSA-N -1 0 324.385 -0.494 20 0 DBADRM CN(CCNC(=O)c1ccon1)c1cnc(-c2nn[nH]n2)cn1 ZINC001579201138 1020390338 /nfs/dbraw/zinc/39/03/38/1020390338.db2.gz FIXFOLNPSPRJRK-UHFFFAOYSA-N -1 0 315.297 -0.489 20 0 DBADRM CN(CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)Cc1cnon1 ZINC001579190498 1020391293 /nfs/dbraw/zinc/39/12/93/1020391293.db2.gz HVZLYXATXGORGZ-UHFFFAOYSA-N -1 0 317.313 -0.560 20 0 DBADRM CN(CCNC(=O)c1cnco1)c1ccc(-c2nn[nH]n2)nn1 ZINC001579201673 1020391355 /nfs/dbraw/zinc/39/13/55/1020391355.db2.gz WAZGFXHPLWUYHF-UHFFFAOYSA-N -1 0 315.297 -0.489 20 0 DBADRM CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)[C@@H]1CC1(F)F ZINC001579213885 1020394375 /nfs/dbraw/zinc/39/43/75/1020394375.db2.gz MGUZTVSUSGFIHP-ZETCQYMHSA-N -1 0 324.295 -0.396 20 0 DBADRM CN(CCn1cnnc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001579232901 1020399140 /nfs/dbraw/zinc/39/91/40/1020399140.db2.gz VRYIOSYDOCDCAK-UHFFFAOYSA-N -1 0 324.326 -0.628 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2csnn2)c1 ZINC001579477747 1020473698 /nfs/dbraw/zinc/47/36/98/1020473698.db2.gz WYQKSDZDLMTYBZ-UHFFFAOYSA-N -1 0 319.306 -0.285 20 0 DBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cn2cccn2)c1 ZINC001579477836 1020474327 /nfs/dbraw/zinc/47/43/27/1020474327.db2.gz ZYDPSWZWAMFSEI-UHFFFAOYSA-N -1 0 301.266 -0.483 20 0 DBADRM COC(=O)c1cnc(Cn2ccc(-c3nnn[n-]3)cc2=O)cn1 ZINC001579489254 1020475811 /nfs/dbraw/zinc/47/58/11/1020475811.db2.gz VNACIUJBMLJODV-UHFFFAOYSA-N -1 0 313.277 -0.347 20 0 DBADRM CO[C@H](C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001579532984 1020482113 /nfs/dbraw/zinc/48/21/13/1020482113.db2.gz DFXRKGHQOHWKBA-DTWKUNHWSA-N -1 0 320.357 -0.050 20 0 DBADRM CO[C@@H](C)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579532598 1020482992 /nfs/dbraw/zinc/48/29/92/1020482992.db2.gz JSDUYYVNFZJWOK-ZETCQYMHSA-N -1 0 319.325 -0.830 20 0 DBADRM CO[C@@](C)(CO)CNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001579533678 1020484928 /nfs/dbraw/zinc/48/49/28/1020484928.db2.gz LQVUQMLPNWJQIO-CYBMUJFWSA-N -1 0 322.325 -0.597 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@H](C)CNc1nccnc1-c1nn[nH]n1 ZINC001579543511 1020485360 /nfs/dbraw/zinc/48/53/60/1020485360.db2.gz ASIGDDNSNGZEIV-BDAKNGLRSA-N -1 0 320.357 -0.144 20 0 DBADRM CO[C@@H](C)C(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001579543559 1020485714 /nfs/dbraw/zinc/48/57/14/1020485714.db2.gz BCSYRLHXXJQUNO-BDAKNGLRSA-N -1 0 320.357 -0.368 20 0 DBADRM CO[C@@H](C)C(=O)N[C@H](C)CCNc1cncc(-c2nn[nH]n2)n1 ZINC001579540875 1020487786 /nfs/dbraw/zinc/48/77/86/1020487786.db2.gz WXGXJDNZJIOUTN-BDAKNGLRSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@H](C)C(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001579545232 1020492706 /nfs/dbraw/zinc/49/27/06/1020492706.db2.gz BLPWYTQRUIKZPF-MRVPVSSYSA-N -1 0 318.341 -0.826 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001579561451 1020495678 /nfs/dbraw/zinc/49/56/78/1020495678.db2.gz ICWKRLRUFCAIOQ-DTWKUNHWSA-N -1 0 320.357 -0.002 20 0 DBADRM CO[C@H](C)CC(=O)NC[C@@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001579561845 1020497956 /nfs/dbraw/zinc/49/79/56/1020497956.db2.gz KJBTTWMGPWXFDO-RKDXNWHRSA-N -1 0 320.357 -0.002 20 0 DBADRM COCC(=O)N1C[C@H](Nc2nccnc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001579623763 1020508498 /nfs/dbraw/zinc/50/84/98/1020508498.db2.gz KJIIQLZFAAQEKA-IUCAKERBSA-N -1 0 318.341 -0.438 20 0 DBADRM COCCC(=O)N[C@H](C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001579759938 1020546765 /nfs/dbraw/zinc/54/67/65/1020546765.db2.gz BUMIURUZHZUSAI-SECBINFHSA-N -1 0 320.357 -0.578 20 0 DBADRM COCCC(=O)N[C@@H](C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001579759939 1020549852 /nfs/dbraw/zinc/54/98/52/1020549852.db2.gz BUMIURUZHZUSAI-VIFPVBQESA-N -1 0 320.357 -0.578 20 0 DBADRM COCCC(=O)N[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579763519 1020550074 /nfs/dbraw/zinc/55/00/74/1020550074.db2.gz AKCWAKUAPZWYTK-VIFPVBQESA-N -1 0 318.341 -0.612 20 0 DBADRM COCCC(=O)N[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001579769580 1020555856 /nfs/dbraw/zinc/55/58/56/1020555856.db2.gz BYHZRWLLGPEOSD-QMMMGPOBSA-N -1 0 306.330 -0.968 20 0 DBADRM COCn1ccc(C(=O)NCc2ccc(-c3nn[nH]n3)cn2)n1 ZINC001579848501 1020571710 /nfs/dbraw/zinc/57/17/10/1020571710.db2.gz XKIXATLXDXGMLF-UHFFFAOYSA-N -1 0 314.309 -0.008 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@@H]2CCN(C)C2=O)c1[O-] ZINC001579884390 1020582291 /nfs/dbraw/zinc/58/22/91/1020582291.db2.gz BOMLCNCHBSOBNK-APPZFPTMSA-N -1 0 323.353 -0.863 20 0 DBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H](C)NC(=O)C(C)(F)F ZINC001508454206 1020594309 /nfs/dbraw/zinc/59/43/09/1020594309.db2.gz OMSAOQCXHPYZGJ-WDSKDSINSA-N -1 0 321.284 -0.646 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NC(=O)Cn2nccn2)c1[O-] ZINC001508542285 1020622243 /nfs/dbraw/zinc/62/22/43/1020622243.db2.gz XTAVTZFEJPUVNB-HTQZYQBOSA-N -1 0 321.341 -0.662 20 0 DBADRM C[C@H](CNC(=O)C1CC1)N(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001508709661 1020651319 /nfs/dbraw/zinc/65/13/19/1020651319.db2.gz OEOAZMMXUSMIGR-MRVPVSSYSA-N -1 0 323.353 -0.412 20 0 DBADRM CS[C@@H](C)C(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001580189368 1020665401 /nfs/dbraw/zinc/66/54/01/1020665401.db2.gz JLLAHACRLYBHCP-QMMMGPOBSA-N -1 0 322.398 -0.039 20 0 DBADRM CS[C@H](C)C(=O)NC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001580187915 1020666153 /nfs/dbraw/zinc/66/61/53/1020666153.db2.gz NNALNZOTKQRXEK-HTQZYQBOSA-N -1 0 322.398 -0.253 20 0 DBADRM C[C@H](CNC(=O)C1CC(C)C1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001508800368 1020674182 /nfs/dbraw/zinc/67/41/82/1020674182.db2.gz CJCURSBWDVTLBY-QJAFJHJLSA-N -1 0 323.353 -0.094 20 0 DBADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCO1 ZINC001580290223 1020684187 /nfs/dbraw/zinc/68/41/87/1020684187.db2.gz GDQUAGKDEKTGIJ-DTWKUNHWSA-N -1 0 318.341 -0.826 20 0 DBADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CC12CC2 ZINC001580414133 1020707367 /nfs/dbraw/zinc/70/73/67/1020707367.db2.gz NHBXQCGZAHWINS-BDAKNGLRSA-N -1 0 314.353 -0.205 20 0 DBADRM C[C@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)c1cnon1 ZINC001580410405 1020709424 /nfs/dbraw/zinc/70/94/24/1020709424.db2.gz NZFRDSLWGKPRDZ-SSDOTTSWSA-N -1 0 315.297 -0.125 20 0 DBADRM CSCC(=O)N(C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001508980567 1020714001 /nfs/dbraw/zinc/71/40/01/1020714001.db2.gz NQQCAZZMAZZMOS-ZCFIWIBFSA-N -1 0 315.355 -0.778 20 0 DBADRM C[C@H]1C[C@@H](O)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001580447763 1020718084 /nfs/dbraw/zinc/71/80/84/1020718084.db2.gz FCJXWKRIGCTTFC-JGVFFNPUSA-N -1 0 313.339 -0.149 20 0 DBADRM Cc1c(-c2nnn[n-]2)c(=O)n(Cc2cc[nH]n2)c(=O)n1C1CC1 ZINC001580523080 1020743088 /nfs/dbraw/zinc/74/30/88/1020743088.db2.gz ZRDIGHIOBJOUJV-UHFFFAOYSA-N -1 0 314.309 -0.395 20 0 DBADRM Cc1n[nH]c(C(=O)NC2(CCO)CN(C(=O)C3(C)CC3)C2)c1[O-] ZINC001509150888 1020757155 /nfs/dbraw/zinc/75/71/55/1020757155.db2.gz BNYAHSMQCYQTIC-UHFFFAOYSA-N -1 0 322.365 -0.083 20 0 DBADRM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N(C)Cc1nc[nH]n1 ZINC001580595796 1020759537 /nfs/dbraw/zinc/75/95/37/1020759537.db2.gz AQKSPFFMEKOGIL-UHFFFAOYSA-N -1 0 315.297 -0.334 20 0 DBADRM Cc1cc(-c2nn[nH]n2)cnc1C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001580624553 1020769264 /nfs/dbraw/zinc/76/92/64/1020769264.db2.gz PUDPBARXLGKARI-UHFFFAOYSA-N -1 0 316.281 -0.481 20 0 DBADRM Cc1[nH]nc(C(=O)N(C)CCNC(=O)[C@H]2CCCNC2=O)c1[O-] ZINC001580851588 1020805415 /nfs/dbraw/zinc/80/54/15/1020805415.db2.gz ZSKYPEOYHZTNHE-VIFPVBQESA-N -1 0 323.353 -0.862 20 0 DBADRM Cc1cc(F)c(-c2nn[nH]n2)cc1NC(=O)NC[C@H](O)CO ZINC001580931472 1020814341 /nfs/dbraw/zinc/81/43/41/1020814341.db2.gz GJXHWMSBAMJPDY-ZETCQYMHSA-N -1 0 310.289 -0.211 20 0 DBADRM Cc1ccc(-c2nn[nH]n2)c(N2CC[C@H]3OCC(=O)N[C@@H]3C2)n1 ZINC001581082568 1020823470 /nfs/dbraw/zinc/82/34/70/1020823470.db2.gz CQKSIMCXJBKLAZ-GHMZBOCLSA-N -1 0 315.337 -0.336 20 0 DBADRM Cc1[nH]nc(NC(=O)CN2CCC(CO)CC2)c1-c1nn[nH]n1 ZINC001581402636 1020833170 /nfs/dbraw/zinc/83/31/70/1020833170.db2.gz CGFSFQCEPYGHMH-UHFFFAOYSA-N -1 0 320.357 -0.459 20 0 DBADRM Cc1conc1CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001581381461 1020833211 /nfs/dbraw/zinc/83/32/11/1020833211.db2.gz GZMBSMINMVEQQJ-UHFFFAOYSA-N -1 0 304.270 -0.425 20 0 DBADRM Cc1nc(-c2nn[nH]n2)cc(N2CCO[C@@H]3COCC[C@@H]32)n1 ZINC001581410880 1020833635 /nfs/dbraw/zinc/83/36/35/1020833635.db2.gz APJJIFAHMCEIBG-WDEREUQCSA-N -1 0 303.326 -0.041 20 0 DBADRM Cc1nc([C@H](C)NC(=O)Cn2cnc(-c3nnn[n-]3)n2)no1 ZINC001581436508 1020835141 /nfs/dbraw/zinc/83/51/41/1020835141.db2.gz AUVTVEQDTADTKA-YFKPBYRVSA-N -1 0 304.274 -0.973 20 0 DBADRM Cc1nc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[nH]c1C ZINC001581454240 1020836096 /nfs/dbraw/zinc/83/60/96/1020836096.db2.gz QEJXYGFJQGKWBW-UHFFFAOYSA-N -1 0 317.313 -0.382 20 0 DBADRM Cc1nc(N[C@H]2CCCN(CCO)C2=O)cc(-c2nn[nH]n2)n1 ZINC001581500799 1020837048 /nfs/dbraw/zinc/83/70/48/1020837048.db2.gz FLMGGEHZMYAULK-VIFPVBQESA-N -1 0 318.341 -0.640 20 0 DBADRM Cc1nc(N[C@@H](CO)CNC(=O)C2CC2)ccc1-c1nn[nH]n1 ZINC001581495106 1020837092 /nfs/dbraw/zinc/83/70/92/1020837092.db2.gz ICMXACJVZIPTOD-SNVBAGLBSA-N -1 0 317.353 -0.131 20 0 DBADRM Cc1nc(NCc2cn(C)c(=O)[nH]c2=O)cc(-c2nn[nH]n2)n1 ZINC001581526386 1020838426 /nfs/dbraw/zinc/83/84/26/1020838426.db2.gz WOJPQEATXOZKKH-UHFFFAOYSA-N -1 0 315.297 -0.623 20 0 DBADRM Cc1nn(C)c(NC(=O)c2ccc(=O)n(C)c2)c1-c1nn[nH]n1 ZINC001581593533 1020839097 /nfs/dbraw/zinc/83/90/97/1020839097.db2.gz HFMSBONPFGCLIW-UHFFFAOYSA-N -1 0 314.309 -0.140 20 0 DBADRM Cc1nn(CC(=O)NCc2ccnc(-c3nn[nH]n3)c2)c(=O)o1 ZINC001581603048 1020839455 /nfs/dbraw/zinc/83/94/55/1020839455.db2.gz FLVGZOYALHNZAL-UHFFFAOYSA-N -1 0 316.281 -0.964 20 0 DBADRM Cn1c(=O)[nH]c(N[C@H](CCO)C2CC2)c(-c2nnn[n-]2)c1=O ZINC001581747507 1020843591 /nfs/dbraw/zinc/84/35/91/1020843591.db2.gz BTWKQUPFVQBBAP-SSDOTTSWSA-N -1 0 307.314 -0.761 20 0 DBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccc(Cl)nn2)c1=O ZINC001581753831 1020846522 /nfs/dbraw/zinc/84/65/22/1020846522.db2.gz UOLBRMLCNBTTBN-UHFFFAOYSA-N -1 0 320.700 -0.781 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001581823672 1020849417 /nfs/dbraw/zinc/84/94/17/1020849417.db2.gz SSFWGZMMTNQVEV-UHFFFAOYSA-N -1 0 314.313 -0.223 20 0 DBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1CC1(C)C ZINC001510677732 1020876266 /nfs/dbraw/zinc/87/62/66/1020876266.db2.gz DZBBKFDMSPEVDQ-YUMQZZPRSA-N -1 0 323.353 -0.094 20 0 DBADRM O=C(COc1cnc(-c2nnn[n-]2)nc1)[C@H]1CCS(=O)(=O)C1 ZINC001582132478 1020878918 /nfs/dbraw/zinc/87/89/18/1020878918.db2.gz LMHCVKDAORSMSI-ZETCQYMHSA-N -1 0 324.322 -0.961 20 0 DBADRM O=C(COc1cnc(-c2nnn[n-]2)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC001582132477 1020879093 /nfs/dbraw/zinc/87/90/93/1020879093.db2.gz LMHCVKDAORSMSI-SSDOTTSWSA-N -1 0 324.322 -0.961 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001582198085 1020885159 /nfs/dbraw/zinc/88/51/59/1020885159.db2.gz LQDSCZYTCPMKMK-TVQRCGJNSA-N -1 0 318.341 -0.921 20 0 DBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC001582199755 1020885280 /nfs/dbraw/zinc/88/52/80/1020885280.db2.gz YHOLQEAZDOQKAK-CYZMBNFOSA-N -1 0 322.332 -0.087 20 0 DBADRM CC/C(C)=C\C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001582217953 1020885971 /nfs/dbraw/zinc/88/59/71/1020885971.db2.gz HCJBLVGMNQWDIL-YWEYNIOJSA-N -1 0 321.337 -0.173 20 0 DBADRM O=C(Cn1ncnn1)NCc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001582207620 1020886442 /nfs/dbraw/zinc/88/64/42/1020886442.db2.gz XTVWTRVWPIVMKZ-UHFFFAOYSA-N -1 0 319.716 -0.177 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)C(C)(F)F)c1[O-] ZINC001510829335 1020896441 /nfs/dbraw/zinc/89/64/41/1020896441.db2.gz ZFKSEEXTTVUGQQ-ZCFIWIBFSA-N -1 0 306.269 -0.714 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CCC[C@@H](O)CC1 ZINC001582528121 1020902709 /nfs/dbraw/zinc/90/27/09/1020902709.db2.gz FAVLPHVMFTWGJB-SECBINFHSA-N -1 0 321.345 -0.985 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccc(CO)cc1 ZINC001582528741 1020905576 /nfs/dbraw/zinc/90/55/76/1020905576.db2.gz KWCBZCUMJGLKEF-UHFFFAOYSA-N -1 0 314.309 -0.620 20 0 DBADRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cnc(C2CC2)o1 ZINC001582528650 1020905917 /nfs/dbraw/zinc/90/59/17/1020905917.db2.gz GRMAOTCRPIQIEP-UHFFFAOYSA-N -1 0 315.297 -0.246 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC(c2nnn[n-]2)CC1 ZINC001582696281 1020917479 /nfs/dbraw/zinc/91/74/79/1020917479.db2.gz CCBZXWFLVQHULC-UHFFFAOYSA-N -1 0 314.313 -0.272 20 0 DBADRM O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CC[C@H](O)[C@@H](CO)C1 ZINC001582699853 1020918499 /nfs/dbraw/zinc/91/84/99/1020918499.db2.gz FIKLRJAUYLSBHY-KOLCDFICSA-N -1 0 319.321 -0.612 20 0 DBADRM O=C(c1cccc(F)c1-c1nn[nH]n1)N1CC(NC2COC2)C1 ZINC001582709343 1020919498 /nfs/dbraw/zinc/91/94/98/1020919498.db2.gz SVXKBXAQPGFCPG-UHFFFAOYSA-N -1 0 318.312 -0.181 20 0 DBADRM O=S(=O)(NCc1ncccn1)c1cccnc1-c1nnn[n-]1 ZINC001582796980 1020924267 /nfs/dbraw/zinc/92/42/67/1020924267.db2.gz BGTBHZIFEXTBNW-UHFFFAOYSA-N -1 0 318.322 -0.470 20 0 DBADRM O=S(=O)(NCc1cnccn1)c1cccnc1-c1nnn[n-]1 ZINC001582796992 1020925434 /nfs/dbraw/zinc/92/54/34/1020925434.db2.gz BSTLIZZSTDSTNM-UHFFFAOYSA-N -1 0 318.322 -0.470 20 0 DBADRM O=c1[nH]cc(-c2nnn[n-]2)c(=O)n1Cc1nc(CC2CC2)no1 ZINC001582806798 1020926899 /nfs/dbraw/zinc/92/68/99/1020926899.db2.gz RJQDMUMAPMBAFN-UHFFFAOYSA-N -1 0 316.281 -0.487 20 0 DBADRM OCc1cc(CCNc2ccnc(-c3nnn[n-]3)n2)ccc1O ZINC001582814150 1020928575 /nfs/dbraw/zinc/92/85/75/1020928575.db2.gz WKKROKDGPUHTKY-UHFFFAOYSA-N -1 0 313.321 -0.069 20 0 DBADRM CC(C)[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)NC(=O)c1cn[nH]n1 ZINC001582925139 1020940316 /nfs/dbraw/zinc/94/03/16/1020940316.db2.gz XWAYJOSJWHQBLY-NXEZZACHSA-N -1 0 322.369 -0.846 20 0 DBADRM O=C(NCC=CCNC(=O)C1CCC1)c1n[nH]c(=O)[n-]c1=O ZINC001583013706 1020962989 /nfs/dbraw/zinc/96/29/89/1020962989.db2.gz RVMSVRWLKUSGAC-UPHRSURJSA-N -1 0 307.310 -0.515 20 0 DBADRM CN(C)C(=O)CCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001583377583 1020990494 /nfs/dbraw/zinc/99/04/94/1020990494.db2.gz FXJPEGWFHBSVGS-UHFFFAOYSA-N -1 0 317.353 -0.327 20 0 DBADRM CC1(C(=O)NC/C=C/CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001583511808 1020996401 /nfs/dbraw/zinc/99/64/01/1020996401.db2.gz DLTCEWYAVLLIKT-NSCUHMNNSA-N -1 0 323.353 -0.332 20 0 DBADRM CCON(C)C(=O)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001583613035 1021001024 /nfs/dbraw/zinc/00/10/24/1021001024.db2.gz KOOHZLFZLAZXND-UHFFFAOYSA-N -1 0 319.325 -0.785 20 0 DBADRM CN(Cc1nnc2ccccn21)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001583860068 1021006489 /nfs/dbraw/zinc/00/64/89/1021006489.db2.gz FVYIGOFNRNNFKY-UHFFFAOYSA-N -1 0 301.266 -0.402 20 0 DBADRM C/C=C(\C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001511272055 1021037162 /nfs/dbraw/zinc/03/71/62/1021037162.db2.gz BVMGSRCTUZTABZ-PSVJHUJZSA-N -1 0 323.353 -0.239 20 0 DBADRM C[C@@H]1C(=O)N([N-]C(=O)c2cn(C[C@@H]3CCOC3)nn2)C(=O)N1C ZINC001585143856 1021048198 /nfs/dbraw/zinc/04/81/98/1021048198.db2.gz XBOVOPJHRSTTQL-BDAKNGLRSA-N -1 0 322.325 -0.758 20 0 DBADRM CC(=O)NCCCCCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001585183078 1021049193 /nfs/dbraw/zinc/04/91/93/1021049193.db2.gz FTAIYBFFLRWWHX-LLVKDONJSA-N -1 0 310.358 -0.204 20 0 DBADRM CC1(C)OC[C@H](/C=C/C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)O1 ZINC001585183089 1021049686 /nfs/dbraw/zinc/04/96/86/1021049686.db2.gz GDARWEYNPBVFQN-FCVPOFOPSA-N -1 0 309.326 -0.193 20 0 DBADRM CC1(C)OC[C@H](/C=C/C(=O)N2CCO[C@H](c3nnn[n-]3)C2)O1 ZINC001585183090 1021049790 /nfs/dbraw/zinc/04/97/90/1021049790.db2.gz GDARWEYNPBVFQN-OHINUGQQSA-N -1 0 309.326 -0.193 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN(C)C(=O)C(F)F)c1[O-] ZINC001511459154 1021051542 /nfs/dbraw/zinc/05/15/42/1021051542.db2.gz YOJWJTMYMUCCNP-ZCFIWIBFSA-N -1 0 306.269 -0.762 20 0 DBADRM C[C@H](C(=O)N(C)c1nnn[n-]1)N1C(=O)NC2(CCCC2)C1=O ZINC001586262435 1021076492 /nfs/dbraw/zinc/07/64/92/1021076492.db2.gz RFSUENGQOYJVMI-SSDOTTSWSA-N -1 0 307.314 -0.584 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c1[O-] ZINC001586843938 1021079851 /nfs/dbraw/zinc/07/98/51/1021079851.db2.gz TZZKVFMNDCIPAO-FUXBKTLASA-N -1 0 307.310 -0.468 20 0 DBADRM O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)c1c[n-]ncc1=O ZINC001586849901 1021080506 /nfs/dbraw/zinc/08/05/06/1021080506.db2.gz VBAQSOAAAJCKKB-CPFSXVBKSA-N -1 0 305.294 -0.710 20 0 DBADRM O=C(CN1CCCCC(=O)C1=O)N1CCC(c2nnn[n-]2)CC1 ZINC001587873943 1021085692 /nfs/dbraw/zinc/08/56/92/1021085692.db2.gz AFPOSVLOUOAWFU-UHFFFAOYSA-N -1 0 320.353 -0.513 20 0 DBADRM CC(=O)NC[C@@H]1CCCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001588501636 1021107395 /nfs/dbraw/zinc/10/73/95/1021107395.db2.gz FDEZCXOATSWKRE-NSHDSACASA-N -1 0 306.384 -0.524 20 0 DBADRM C/C(=C\C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)CN1CCOCC1 ZINC001588480607 1021103703 /nfs/dbraw/zinc/10/37/03/1021103703.db2.gz RPLGJKFVEZOVIP-PAQXCSQUSA-N -1 0 324.377 -0.176 20 0 DBADRM CC(=O)C[C@@H]1COCCN1C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001588487541 1021105072 /nfs/dbraw/zinc/10/50/72/1021105072.db2.gz OYJPIGSIVWQSHD-LLVKDONJSA-N -1 0 322.317 -0.247 20 0 DBADRM CC(=O)N1CC[C@@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001588496838 1021106349 /nfs/dbraw/zinc/10/63/49/1021106349.db2.gz ODVNJKHETSFMJG-SNVBAGLBSA-N -1 0 307.306 -0.717 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001588494166 1021107183 /nfs/dbraw/zinc/10/71/83/1021107183.db2.gz JIKBWPWDQLJYSP-GHMZBOCLSA-N -1 0 312.322 -0.526 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC001588501933 1021107241 /nfs/dbraw/zinc/10/72/41/1021107241.db2.gz LTZDEBYQPLYJRO-NSHDSACASA-N -1 0 313.354 -0.515 20 0 DBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)O[C@@H](C)C(=O)[O-] ZINC001588499331 1021107415 /nfs/dbraw/zinc/10/74/15/1021107415.db2.gz LCVAJAYGSQUJBX-ZETCQYMHSA-N -1 0 302.327 -0.188 20 0 DBADRM CC(=O)N1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])[C@@H](C)C1 ZINC001588495590 1021107480 /nfs/dbraw/zinc/10/74/80/1021107480.db2.gz MXBOIRZHEUIWHZ-ZJUUUORDSA-N -1 0 313.354 -0.755 20 0 DBADRM CC(=O)N1CCN(C(=O)COC(=O)CCCCC(=O)[O-])CC1 ZINC001588495902 1021107807 /nfs/dbraw/zinc/10/78/07/1021107807.db2.gz ZHOMMHUZRDKEFZ-UHFFFAOYSA-N -1 0 314.338 -0.135 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCCc2nn[nH]c21)[C@H](C)C(=O)[O-] ZINC001588506714 1021108368 /nfs/dbraw/zinc/10/83/68/1021108368.db2.gz NYWLKONLNAMCOY-SCZZXKLOSA-N -1 0 323.353 -0.338 20 0 DBADRM CC(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001588502372 1021108506 /nfs/dbraw/zinc/10/85/06/1021108506.db2.gz QKGBQFSNVNSGIY-QWRGUYRKSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(=O)NCCN(C(=O)CCc1cncn1C)[C@@H](C)C(=O)[O-] ZINC001588506349 1021108799 /nfs/dbraw/zinc/10/87/99/1021108799.db2.gz FSRPWBARBRUMAI-JTQLQIEISA-N -1 0 310.354 -0.210 20 0 DBADRM CC(=O)NC[C@@H]1CCCCN1C(=O)NCCOCC(=O)[O-] ZINC001588502431 1021108820 /nfs/dbraw/zinc/10/88/20/1021108820.db2.gz SVTKXNCGPFRWEZ-NSHDSACASA-N -1 0 301.343 -0.212 20 0 DBADRM CC(=O)NCCN(C(=O)c1c2c(nn1C)CCC2)[C@H](C)C(=O)[O-] ZINC001588507803 1021109132 /nfs/dbraw/zinc/10/91/32/1021109132.db2.gz SLGCFUFGFUDERJ-SECBINFHSA-N -1 0 322.365 -0.040 20 0 DBADRM CC(=O)NCCN(C(=O)[C@H]1CCc2nc[nH]c2C1)[C@@H](C)C(=O)[O-] ZINC001588506712 1021109261 /nfs/dbraw/zinc/10/92/61/1021109261.db2.gz NXAFUIIFSNHJIN-ONGXEEELSA-N -1 0 322.365 -0.048 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001588502561 1021109365 /nfs/dbraw/zinc/10/93/65/1021109365.db2.gz VHHCMPDBFYDBDX-DCAQKATOSA-N -1 0 311.338 -0.907 20 0 DBADRM CC(=O)N[C@H](CC1CCC1)C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC001588515283 1021110511 /nfs/dbraw/zinc/11/05/11/1021110511.db2.gz JNQXZCDCJWFAMY-SNVBAGLBSA-N -1 0 309.326 -0.004 20 0 DBADRM CC(=O)NCCN(C(=O)c1ccc(C(N)=O)[nH]1)[C@H](C)C(=O)[O-] ZINC001588508828 1021111244 /nfs/dbraw/zinc/11/12/44/1021111244.db2.gz STHBAOQJVUFHHJ-SSDOTTSWSA-N -1 0 310.310 -0.835 20 0 DBADRM CC(=O)N[C@H](CC(C)C)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001588515150 1021111515 /nfs/dbraw/zinc/11/15/15/1021111515.db2.gz FLQDPYKVTFLFHI-LLVKDONJSA-N -1 0 313.354 -0.707 20 0 DBADRM CC(=O)OC1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC001588525716 1021111726 /nfs/dbraw/zinc/11/17/26/1021111726.db2.gz BGSVMVIGCYDXEI-JTQLQIEISA-N -1 0 312.322 -0.526 20 0 DBADRM C[C@@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)N1CCN(C)CC1 ZINC001588551158 1021115927 /nfs/dbraw/zinc/11/59/27/1021115927.db2.gz WCRSNFPTUOWGKI-YWPYICTPSA-N -1 0 311.382 -0.818 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC001588564129 1021117359 /nfs/dbraw/zinc/11/73/59/1021117359.db2.gz CQDWOIFNRNRXAN-MRVPVSSYSA-N -1 0 304.368 -0.220 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001588566432 1021117503 /nfs/dbraw/zinc/11/75/03/1021117503.db2.gz XARBKLSENLHYSV-ZJUUUORDSA-N -1 0 306.384 -0.163 20 0 DBADRM C[C@H](C(=O)[O-])C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001588563422 1021117705 /nfs/dbraw/zinc/11/77/05/1021117705.db2.gz SNXOMJJTMJGQKL-VHSXEESVSA-N -1 0 306.384 -0.716 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001588563420 1021118028 /nfs/dbraw/zinc/11/80/28/1021118028.db2.gz SNXOMJJTMJGQKL-NXEZZACHSA-N -1 0 306.384 -0.716 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001588565644 1021118172 /nfs/dbraw/zinc/11/81/72/1021118172.db2.gz MZOHEMVNAGBDOX-NXEZZACHSA-N -1 0 304.368 -0.266 20 0 DBADRM C[C@@H](C(=O)[O-])C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC001588570602 1021118215 /nfs/dbraw/zinc/11/82/15/1021118215.db2.gz RNSOLCOLBKRULF-ZJUUUORDSA-N -1 0 308.338 -0.252 20 0 DBADRM CC(C)(C(=O)[O-])C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001588611499 1021119083 /nfs/dbraw/zinc/11/90/83/1021119083.db2.gz VRCVGFGEIUFBCF-UHFFFAOYSA-N -1 0 320.411 -0.278 20 0 DBADRM C[C@H](C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O)N1CCSCC1 ZINC001588606537 1021120588 /nfs/dbraw/zinc/12/05/88/1021120588.db2.gz IRGJBINIGVBNRN-ZJUUUORDSA-N -1 0 316.379 -0.348 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001588631214 1021121888 /nfs/dbraw/zinc/12/18/88/1021121888.db2.gz GWQLYFAHJQAXMO-IUCAKERBSA-N -1 0 319.383 -0.906 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC001588624926 1021122066 /nfs/dbraw/zinc/12/20/66/1021122066.db2.gz BMOGAVLVDNYXBE-UHFFFAOYSA-N -1 0 321.337 -0.804 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCCOCCS(N)(=O)=O ZINC001588635169 1021122254 /nfs/dbraw/zinc/12/22/54/1021122254.db2.gz UGISZWCBFSYDAA-MRVPVSSYSA-N -1 0 310.372 -0.845 20 0 DBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001588636235 1021122307 /nfs/dbraw/zinc/12/23/07/1021122307.db2.gz ZJMRNXJGTWAWHV-VIFPVBQESA-N -1 0 306.384 -0.259 20 0 DBADRM CC(C)(C(N)=O)N1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001588625810 1021122339 /nfs/dbraw/zinc/12/23/39/1021122339.db2.gz QMJOOSQCNOKZSU-WDEREUQCSA-N -1 0 311.382 -0.105 20 0 DBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001588633989 1021122397 /nfs/dbraw/zinc/12/23/97/1021122397.db2.gz GSXMEXSFUYZCIV-MRVPVSSYSA-N -1 0 307.310 -0.219 20 0 DBADRM CC(C)(C)c1nnc(SCCS(=O)(=O)CC(=O)[O-])n1N ZINC001588748269 1021129767 /nfs/dbraw/zinc/12/97/67/1021129767.db2.gz DXBVGFIPHZMUET-UHFFFAOYSA-N -1 0 322.412 -0.119 20 0 DBADRM C=CC(=O)NCCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001588656698 1021124343 /nfs/dbraw/zinc/12/43/43/1021124343.db2.gz XELKDRWTCBQRII-JTQLQIEISA-N -1 0 313.354 -0.590 20 0 DBADRM CC(C)(C)OC(=O)C(=O)NC[C@@H](NC(=O)C(=O)[O-])C1CC1 ZINC001588668989 1021126872 /nfs/dbraw/zinc/12/68/72/1021126872.db2.gz ICIAWFWDMSVKAJ-MRVPVSSYSA-N -1 0 300.311 -0.576 20 0 DBADRM CC(C)(C)OC(=O)C(=O)NC[C@H](NC(=O)C(=O)[O-])C1CC1 ZINC001588668990 1021126736 /nfs/dbraw/zinc/12/67/36/1021126736.db2.gz ICIAWFWDMSVKAJ-QMMMGPOBSA-N -1 0 300.311 -0.576 20 0 DBADRM CC(C)(O)[C@@H]1CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001588796091 1021132339 /nfs/dbraw/zinc/13/23/39/1021132339.db2.gz SELYXQGNIAUHSJ-GHMZBOCLSA-N -1 0 312.366 -0.071 20 0 DBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001588802860 1021132394 /nfs/dbraw/zinc/13/23/94/1021132394.db2.gz AWEBFAZDTCWYMM-NSHDSACASA-N -1 0 323.353 -0.103 20 0 DBADRM CC(C)(O)CN1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001588795191 1021132468 /nfs/dbraw/zinc/13/24/68/1021132468.db2.gz ACPXLUXNKGXMCK-AWEZNQCLSA-N -1 0 300.355 -0.465 20 0 DBADRM CC(=O)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001588813275 1021135539 /nfs/dbraw/zinc/13/55/39/1021135539.db2.gz VOFDJHWLVNDSEK-WCBMZHEXSA-N -1 0 302.342 -0.110 20 0 DBADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cnn(CC(=O)NCCO)c1 ZINC001588809241 1021135557 /nfs/dbraw/zinc/13/55/57/1021135557.db2.gz HVRXWMHJYQQYKP-LLVKDONJSA-N -1 0 312.326 -0.713 20 0 DBADRM CC(C)[C@H](C)NC(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001588815127 1021135759 /nfs/dbraw/zinc/13/57/59/1021135759.db2.gz CXNVPKNZFVQQDX-VHSXEESVSA-N -1 0 306.384 -0.669 20 0 DBADRM CC(C)[C@@H](CNC(=O)[C@H]1CC(C(=O)[O-])=NO1)N1CCOCC1 ZINC001588816658 1021137717 /nfs/dbraw/zinc/13/77/17/1021137717.db2.gz JXVPUZQTQMCOIH-VXGBXAGGSA-N -1 0 313.354 -0.311 20 0 DBADRM CC(C)CC(=O)N1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001588843156 1021141949 /nfs/dbraw/zinc/14/19/49/1021141949.db2.gz BDGWGEBMMKZZAB-UHFFFAOYSA-N -1 0 320.411 -0.324 20 0 DBADRM CC(C)CN1N=C(C(=O)N2CCOC[C@@H]2C(=O)[O-])CCC1=O ZINC001588875905 1021147457 /nfs/dbraw/zinc/14/74/57/1021147457.db2.gz BUZUOLZSDGBLSU-LLVKDONJSA-N -1 0 311.338 -0.067 20 0 DBADRM CN1CC[C@H](NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1=O ZINC001588869952 1021148275 /nfs/dbraw/zinc/14/82/75/1021148275.db2.gz BTIDFTUVTFIJBH-VHSXEESVSA-N -1 0 311.338 -0.953 20 0 DBADRM CC(C)C[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)[O-] ZINC001588899602 1021149653 /nfs/dbraw/zinc/14/96/53/1021149653.db2.gz UYQKGPILSUUKIE-VIFPVBQESA-N -1 0 309.388 -0.660 20 0 DBADRM CC(C)C[C@H](NS(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)[O-] ZINC001588905462 1021151144 /nfs/dbraw/zinc/15/11/44/1021151144.db2.gz DXTYMPSEYYNGAO-DCXZOGHSSA-N -1 0 315.417 -0.106 20 0 DBADRM CC(C)OCCN1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001588931744 1021152344 /nfs/dbraw/zinc/15/23/44/1021152344.db2.gz XZYVZMBGJGNJFM-LBPRGKRZSA-N -1 0 313.354 -0.215 20 0 DBADRM CC(C)NS(=O)(=O)NCCNC(=O)C1(CC(=O)[O-])CCC1 ZINC001588927589 1021153840 /nfs/dbraw/zinc/15/38/40/1021153840.db2.gz XZVLHQZQXXUSSH-UHFFFAOYSA-N -1 0 321.399 -0.420 20 0 DBADRM C[C@H](C(=O)N1C[C@H](O)C(C)(C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588945753 1021155871 /nfs/dbraw/zinc/15/58/71/1021155871.db2.gz NIZIMHJSVGVWQH-SFYZADRCSA-N -1 0 306.330 -0.752 20 0 DBADRM C[C@@H](C(=O)N(C)c1nncs1)n1cnc(-c2nnn[n-]2)n1 ZINC001588942778 1021157017 /nfs/dbraw/zinc/15/70/17/1021157017.db2.gz HGLUIIWCIIVERE-YFKPBYRVSA-N -1 0 306.315 -0.466 20 0 DBADRM C[C@H](C(=O)N(C)c1nncs1)n1cnc(-c2nnn[n-]2)n1 ZINC001588942777 1021158218 /nfs/dbraw/zinc/15/82/18/1021158218.db2.gz HGLUIIWCIIVERE-RXMQYKEDSA-N -1 0 306.315 -0.466 20 0 DBADRM C[C@H](C(=O)N1CC2(C1)CCOC2)n1cnc(-c2nnn[n-]2)n1 ZINC001588948009 1021158523 /nfs/dbraw/zinc/15/85/23/1021158523.db2.gz BVHSNORMQWIDPW-MRVPVSSYSA-N -1 0 304.314 -0.732 20 0 DBADRM C/C(=C\C(=O)NC[C@H](O)CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001588939160 1021158724 /nfs/dbraw/zinc/15/87/24/1021158724.db2.gz SFEOGPOWSFLXDD-OALRPVAKSA-N -1 0 320.349 -0.158 20 0 DBADRM C/C(=C/C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])c1cnccn1 ZINC001588938367 1021159556 /nfs/dbraw/zinc/15/95/56/1021159556.db2.gz CZDXRTARQMAMIR-NJHLSQGMSA-N -1 0 302.294 -0.259 20 0 DBADRM C[C@H](C(=O)N1CCc2c[nH]nc2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588962618 1021161841 /nfs/dbraw/zinc/16/18/41/1021161841.db2.gz NBUOKIOAUJUMIS-SSDOTTSWSA-N -1 0 314.313 -0.673 20 0 DBADRM C[C@H](C(=O)N1CCC[C@@]1(C)CO)n1cnc(-c2nnn[n-]2)n1 ZINC001588953885 1021162244 /nfs/dbraw/zinc/16/22/44/1021162244.db2.gz BOTIVEBVOOUYRL-PELKAZGASA-N -1 0 306.330 -0.607 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H](O)C(C)(C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588952256 1021163817 /nfs/dbraw/zinc/16/38/17/1021163817.db2.gz QPJNCTRLPVCEMQ-RKDXNWHRSA-N -1 0 320.357 -0.361 20 0 DBADRM C[C@@H](C(=O)N1CCS[C@H](C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588959463 1021165313 /nfs/dbraw/zinc/16/53/13/1021165313.db2.gz DNCVJVIFLJJPHV-SFYZADRCSA-N -1 0 308.371 -0.017 20 0 DBADRM CC(C)[C@@H](O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001588953989 1021165362 /nfs/dbraw/zinc/16/53/62/1021165362.db2.gz WQHSDQZDRGMSPQ-ZWNOBZJWSA-N -1 0 312.366 -0.073 20 0 DBADRM CC(C)[C@H](NC(=O)C(=O)Nc1nc2n(n1)CCCC2)C(=O)[O-] ZINC001588954980 1021165506 /nfs/dbraw/zinc/16/55/06/1021165506.db2.gz XBSGLRMDPPASNA-VIFPVBQESA-N -1 0 309.326 -0.222 20 0 DBADRM CCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@@H]1C ZINC001512174752 1021166288 /nfs/dbraw/zinc/16/62/88/1021166288.db2.gz ULLCEZYIUXNLME-DTWKUNHWSA-N -1 0 323.353 -0.093 20 0 DBADRM C[C@@H](C(=O)N1Cc2ccncc2C1)n1cnc(-c2nnn[n-]2)n1 ZINC001588965779 1021166232 /nfs/dbraw/zinc/16/62/32/1021166232.db2.gz LASZIZRGHROYFB-QMMMGPOBSA-N -1 0 311.309 -0.043 20 0 DBADRM C[C@@H](C(=O)N1[C@@H](C)CC[C@H]1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001588965484 1021168396 /nfs/dbraw/zinc/16/83/96/1021168396.db2.gz FPIYRZZLFLPSSP-CIUDSAMLSA-N -1 0 306.330 -0.609 20 0 DBADRM C/C(=C/CNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)C(=O)[O-] ZINC001588971299 1021169715 /nfs/dbraw/zinc/16/97/15/1021169715.db2.gz AVSUPOYBKVFBEM-CGVAOTHFSA-N -1 0 302.352 -0.297 20 0 DBADRM C[C@@H](CC(=O)N1CCN(C(=O)C(=O)[O-])CC1)c1cnn(C)c1 ZINC001588989685 1021172351 /nfs/dbraw/zinc/17/23/51/1021172351.db2.gz RZWFWYKMSYRHBB-JTQLQIEISA-N -1 0 308.338 -0.331 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCC=CO1)n1cnc(-c2nnn[n-]2)n1 ZINC001588983908 1021173352 /nfs/dbraw/zinc/17/33/52/1021173352.db2.gz SVFGVZAVTXEFNI-BDAKNGLRSA-N -1 0 304.314 -0.172 20 0 DBADRM C[C@H](C(=O)NC[C@@H]1CCOC1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588984366 1021174509 /nfs/dbraw/zinc/17/45/09/1021174509.db2.gz ZVNFSMNFWXNQSD-BDAKNGLRSA-N -1 0 320.357 -0.050 20 0 DBADRM C[C@@H](C(=O)NC[C@@H]1CCC=CO1)n1cnc(-c2nnn[n-]2)n1 ZINC001588983910 1021175353 /nfs/dbraw/zinc/17/53/53/1021175353.db2.gz SVFGVZAVTXEFNI-IUCAKERBSA-N -1 0 304.314 -0.172 20 0 DBADRM C[C@H](C(=O)N[C@H]1CCOC1(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001588978139 1021175389 /nfs/dbraw/zinc/17/53/89/1021175389.db2.gz NSIHNUAQZNSIIK-SFYZADRCSA-N -1 0 306.330 -0.297 20 0 DBADRM C[C@H](C(=O)NCCCC(C)(C)CO)n1cnc(-c2nnn[n-]2)n1 ZINC001588990565 1021175453 /nfs/dbraw/zinc/17/54/53/1021175453.db2.gz UFMHQMLONUVADZ-SECBINFHSA-N -1 0 322.373 -0.066 20 0 DBADRM C[C@@H](C(=O)NCc1cc(=O)cc[nH]1)n1cnc(-c2nnn[n-]2)n1 ZINC001588997924 1021177883 /nfs/dbraw/zinc/17/78/83/1021177883.db2.gz NDWDDDFILWANKX-ZETCQYMHSA-N -1 0 315.297 -0.976 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC001588995234 1021178560 /nfs/dbraw/zinc/17/85/60/1021178560.db2.gz XIEUJXHFTOLIBH-SSDOTTSWSA-N -1 0 307.310 -0.019 20 0 DBADRM C[C@H](C(=O)NCCc1nccn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001588996024 1021178595 /nfs/dbraw/zinc/17/85/95/1021178595.db2.gz AQSUCHCZQHERJE-MRVPVSSYSA-N -1 0 316.329 -0.888 20 0 DBADRM C[C@@H](C(=O)NCCn1cnc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001588996072 1021178756 /nfs/dbraw/zinc/17/87/56/1021178756.db2.gz DCKXXIGLYQFDHX-QMMMGPOBSA-N -1 0 302.302 -0.968 20 0 DBADRM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1O)n1cnc(-c2nnn[n-]2)n1 ZINC001589002873 1021179690 /nfs/dbraw/zinc/17/96/90/1021179690.db2.gz FGUJAHCCXYBCOO-DJLDLDEBSA-N -1 0 306.330 -0.561 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)CNS(=O)(=O)c1ccccc1N ZINC001588995073 1021180349 /nfs/dbraw/zinc/18/03/49/1021180349.db2.gz QPHJNJRQFOOJEN-MRVPVSSYSA-N -1 0 315.351 -0.474 20 0 DBADRM C[C@H](C(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001588996090 1021180601 /nfs/dbraw/zinc/18/06/01/1021180601.db2.gz FMAGQDOAKWRSES-DTWKUNHWSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001588997661 1021180651 /nfs/dbraw/zinc/18/06/51/1021180651.db2.gz DXWFPPQYXOPKRL-BBBLOLIVSA-N -1 0 301.343 -0.215 20 0 DBADRM C[C@@H](C(=O)N[C@H]1CC[C@H](CO)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001589008837 1021181837 /nfs/dbraw/zinc/18/18/37/1021181837.db2.gz BDNLYXDWCZVUCU-GUBZILKMSA-N -1 0 320.357 -0.314 20 0 DBADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001589025056 1021183350 /nfs/dbraw/zinc/18/33/50/1021183350.db2.gz JQEIBZVCJGYHQO-ZCFIWIBFSA-N -1 0 312.311 -0.645 20 0 DBADRM C[C@H](C(=O)Nc1cnccc1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001589022200 1021183570 /nfs/dbraw/zinc/18/35/70/1021183570.db2.gz WPDCCBJPLVVOAW-SSDOTTSWSA-N -1 0 315.297 -0.455 20 0 DBADRM C[C@H](C(=O)OC[C@H]1COC(C)(C)O1)n1cnc(-c2nnn[n-]2)n1 ZINC001589025936 1021183924 /nfs/dbraw/zinc/18/39/24/1021183924.db2.gz GTHMJYCUHCHVGN-SFYZADRCSA-N -1 0 323.313 -0.286 20 0 DBADRM C[C@H](C(=O)OCC(=O)C(F)F)n1cnc(-c2nnn[n-]2)n1 ZINC001589027135 1021184398 /nfs/dbraw/zinc/18/43/98/1021184398.db2.gz LWOVJGPKRFOTCC-SCSAIBSYSA-N -1 0 301.213 -0.603 20 0 DBADRM C[C@H](C(=O)O[C@@H]1CCC(=O)N(C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001589025653 1021184864 /nfs/dbraw/zinc/18/48/64/1021184864.db2.gz AQSJCFQLYQTTRC-HTQZYQBOSA-N -1 0 320.313 -0.817 20 0 DBADRM C[C@H](C(=O)OCc1ccnn1C)n1cnc(-c2nnn[n-]2)n1 ZINC001589032712 1021186191 /nfs/dbraw/zinc/18/61/91/1021186191.db2.gz QMECBCUEHCFSTE-SSDOTTSWSA-N -1 0 303.286 -0.504 20 0 DBADRM CC(=O)N[C@@H](CSC[C@@H](O)COC1CCOCC1)C(=O)[O-] ZINC001589156701 1021205072 /nfs/dbraw/zinc/20/50/72/1021205072.db2.gz AOOIRERKONETIF-JQWIXIFHSA-N -1 0 321.395 -0.135 20 0 DBADRM CC(=O)N(C)CC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001589042078 1021189312 /nfs/dbraw/zinc/18/93/12/1021189312.db2.gz DOQJTOSRGHJVMZ-UHFFFAOYSA-N -1 0 300.311 -0.669 20 0 DBADRM CC(=O)N(CCc1ccccc1)CC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001589051460 1021189719 /nfs/dbraw/zinc/18/97/19/1021189719.db2.gz ZOJDMJGZJAZQEC-UHFFFAOYSA-N -1 0 320.345 -0.265 20 0 DBADRM CC(=O)N1CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)[C@H](C)C1 ZINC001589079996 1021190856 /nfs/dbraw/zinc/19/08/56/1021190856.db2.gz NHTCNXDRLCEADF-SECBINFHSA-N -1 0 324.341 -0.762 20 0 DBADRM CC(=O)N1CCC[C@@H](C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001589066193 1021191817 /nfs/dbraw/zinc/19/18/17/1021191817.db2.gz HURHATAKIIUDSM-LLVKDONJSA-N -1 0 313.354 -0.658 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)NCCNc1ccnc(C(=O)[O-])n1 ZINC001589076115 1021192426 /nfs/dbraw/zinc/19/24/26/1021192426.db2.gz ZTRGBRBFTVEDOP-SNVBAGLBSA-N -1 0 321.337 -0.864 20 0 DBADRM CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1 ZINC001589086625 1021192739 /nfs/dbraw/zinc/19/27/39/1021192739.db2.gz CIZOGDSYPFWVDF-ZOWXZIJZSA-N -1 0 310.350 -0.053 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC/C=C\CNc1ncc(C(=O)[O-])cn1 ZINC001589105804 1021194716 /nfs/dbraw/zinc/19/47/16/1021194716.db2.gz PIZRCYBAIGSYSM-ZBJFTSOASA-N -1 0 321.337 -0.216 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001589097269 1021195024 /nfs/dbraw/zinc/19/50/24/1021195024.db2.gz HPWCELCMMBLSNP-FZQKWOKYSA-N -1 0 320.345 -0.090 20 0 DBADRM CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001589093520 1021195559 /nfs/dbraw/zinc/19/55/59/1021195559.db2.gz CGDCNVDKJPTLOX-OPRDCNLKSA-N -1 0 302.352 -0.798 20 0 DBADRM CC(=O)N[C@H]1CCCN(C(=O)CN2C[C@@H](F)C[C@H]2C(=O)[O-])C1 ZINC001589120235 1021196258 /nfs/dbraw/zinc/19/62/58/1021196258.db2.gz SWHHYFIVLHZUKA-SRVKXCTJSA-N -1 0 315.345 -0.390 20 0 DBADRM CC(C)(C)CCn1c(=O)c(-c2nnn[n-]2)cn(CCO)c1=O ZINC001589127423 1021196320 /nfs/dbraw/zinc/19/63/20/1021196320.db2.gz PKZCKSXGKDXAMB-UHFFFAOYSA-N -1 0 308.342 -0.381 20 0 DBADRM CC(=O)N[C@H](C)C(=O)NC/C=C/CNc1ncc(C(=O)[O-])cn1 ZINC001589105794 1021196694 /nfs/dbraw/zinc/19/66/94/1021196694.db2.gz PIZRCYBAIGSYSM-CDAZIORVSA-N -1 0 321.337 -0.216 20 0 DBADRM CC(=O)NC1CCC(NC(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC001589120273 1021197001 /nfs/dbraw/zinc/19/70/01/1021197001.db2.gz UZBKPJRXDUTWFC-UHFFFAOYSA-N -1 0 309.326 -0.460 20 0 DBADRM CC(=O)N1C[C@@H]2CN(S(=O)(=O)CCCC(=O)[O-])C[C@@H]2C1 ZINC001589093456 1021197246 /nfs/dbraw/zinc/19/72/46/1021197246.db2.gz ARMYUPPNRAIUBV-PHIMTYICSA-N -1 0 304.368 -0.409 20 0 DBADRM CC(=O)NCC(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001589127656 1021198003 /nfs/dbraw/zinc/19/80/03/1021198003.db2.gz GAPFSOBCBGQTBB-UHFFFAOYSA-N -1 0 300.311 -0.431 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001589139775 1021198586 /nfs/dbraw/zinc/19/85/86/1021198586.db2.gz GGRYCVUUMFTRBK-UWVGGRQHSA-N -1 0 317.317 -0.958 20 0 DBADRM CC(C)(C)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1=O ZINC001589136886 1021198688 /nfs/dbraw/zinc/19/86/88/1021198688.db2.gz UNMZYNAXRGSVHC-MRVPVSSYSA-N -1 0 302.342 -0.110 20 0 DBADRM CC(=O)NCCNC(=O)CCC(=O)NC1CC(CC(=O)[O-])C1 ZINC001589140021 1021199978 /nfs/dbraw/zinc/19/99/78/1021199978.db2.gz SQVAXWXOYTTYCC-UHFFFAOYSA-N -1 0 313.354 -0.612 20 0 DBADRM CC(=O)NCC(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001589127889 1021200438 /nfs/dbraw/zinc/20/04/38/1021200438.db2.gz WPSRDROQWYAVTR-QMMMGPOBSA-N -1 0 304.299 -0.356 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001589127771 1021200455 /nfs/dbraw/zinc/20/04/55/1021200455.db2.gz OGYSFRYRLGDHKH-UHFFFAOYSA-N -1 0 311.294 -0.845 20 0 DBADRM CC(=O)NCCCNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589137146 1021200672 /nfs/dbraw/zinc/20/06/72/1021200672.db2.gz VWGURAJBNKODFS-SNVBAGLBSA-N -1 0 324.341 -0.541 20 0 DBADRM CC(=O)NCCCNS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001589137475 1021201065 /nfs/dbraw/zinc/20/10/65/1021201065.db2.gz CFTZFTLVAYAFEY-UHFFFAOYSA-N -1 0 303.340 -0.472 20 0 DBADRM CC(=O)NCc1ccc(NC(=O)N2CC(O)(C(=O)[O-])C2)cc1 ZINC001589149590 1021201321 /nfs/dbraw/zinc/20/13/21/1021201321.db2.gz BJLNGOKEXCTJSU-UHFFFAOYSA-N -1 0 307.306 -0.014 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001589229153 1021202663 /nfs/dbraw/zinc/20/26/63/1021202663.db2.gz OPEHODMXLDOKRH-LLVKDONJSA-N -1 0 309.340 -0.507 20 0 DBADRM CC(=O)Nc1cnccc1C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001589223113 1021203000 /nfs/dbraw/zinc/20/30/00/1021203000.db2.gz MFGOJAXKZJLCMW-UWVGGRQHSA-N -1 0 307.306 -0.052 20 0 DBADRM CC(=O)N[C@@H](CS[C@H](C)C(=O)NC[C@H]1CCCO1)C(=O)[O-] ZINC001589157305 1021203203 /nfs/dbraw/zinc/20/32/03/1021203203.db2.gz KVKUAYZDXVABEN-IEBDPFPHSA-N -1 0 318.395 -0.007 20 0 DBADRM CC(=O)N[C@H](CC1CCC1)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001589165263 1021203221 /nfs/dbraw/zinc/20/32/21/1021203221.db2.gz BNFUKEBJESEDML-YNEHKIRRSA-N -1 0 312.366 -0.025 20 0 DBADRM CC(=O)N[C@@H](CS(=O)(=O)Cc1ccc(CO)cc1)C(=O)[O-] ZINC001589155558 1021203403 /nfs/dbraw/zinc/20/34/03/1021203403.db2.gz IUGJSQJOQMOAFW-LBPRGKRZSA-N -1 0 315.347 -0.317 20 0 DBADRM CC(=O)Nc1cc(C(=O)NCC(=O)NCC(=O)[O-])ccc1F ZINC001589170546 1021204378 /nfs/dbraw/zinc/20/43/78/1021204378.db2.gz QCHKIYLLXYPZST-UHFFFAOYSA-N -1 0 311.269 -0.285 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001589228869 1021204217 /nfs/dbraw/zinc/20/42/17/1021204217.db2.gz KRJGLPLZWSNMQH-LLVKDONJSA-N -1 0 323.367 -0.573 20 0 DBADRM CC(=O)Nc1nc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])cs1 ZINC001589223382 1021204712 /nfs/dbraw/zinc/20/47/12/1021204712.db2.gz SQBSKCOIGMLAMG-RXMQYKEDSA-N -1 0 315.307 -0.152 20 0 DBADRM CC(=O)OC1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC001589224673 1021204881 /nfs/dbraw/zinc/20/48/81/1021204881.db2.gz LQYWUEYGDKYKDC-UHFFFAOYSA-N -1 0 308.356 -0.335 20 0 DBADRM CC(=O)OCCCS(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001589228390 1021205180 /nfs/dbraw/zinc/20/51/80/1021205180.db2.gz GEYXRHYRBMCEQX-ZETCQYMHSA-N -1 0 303.283 -0.033 20 0 DBADRM CC(=O)Nc1c(C)cccc1C(=O)NCC(=O)NCC(=O)[O-] ZINC001589166053 1021205383 /nfs/dbraw/zinc/20/53/83/1021205383.db2.gz OCLAZAQNDDNWNJ-UHFFFAOYSA-N -1 0 307.306 -0.116 20 0 DBADRM CC(C)(O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589332529 1021209615 /nfs/dbraw/zinc/20/96/15/1021209615.db2.gz BLLOZHYKTMVETK-UHFFFAOYSA-N -1 0 301.328 -0.101 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(C)[C@H](CO)C1 ZINC001589350424 1021211894 /nfs/dbraw/zinc/21/18/94/1021211894.db2.gz QCOMIWFCHJQGSD-YPMHNXCESA-N -1 0 313.398 -0.694 20 0 DBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1cc(C(=O)[O-])c[nH]c1=O ZINC001589338049 1021212579 /nfs/dbraw/zinc/21/25/79/1021212579.db2.gz YJTQBDKDXRRWQG-LURJTMIESA-N -1 0 317.323 -0.296 20 0 DBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)Cc1cn(C)nn1 ZINC001589351309 1021213049 /nfs/dbraw/zinc/21/30/49/1021213049.db2.gz XLXCTNOKXAYDLG-SNVBAGLBSA-N -1 0 309.370 -0.041 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCF)C(=O)[O-])n1cccn1 ZINC001589336956 1021214993 /nfs/dbraw/zinc/21/49/93/1021214993.db2.gz MHVWDBMPRICXSL-UWVGGRQHSA-N -1 0 314.317 -0.169 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001589338088 1021215086 /nfs/dbraw/zinc/21/50/86/1021215086.db2.gz ZSMKUQDYTVFDHY-SCZZXKLOSA-N -1 0 306.384 -0.117 20 0 DBADRM CCC(=O)NCCC1=CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001512520488 1021215356 /nfs/dbraw/zinc/21/53/56/1021215356.db2.gz DOQRABSRTNKPOG-UHFFFAOYSA-N -1 0 323.353 -0.236 20 0 DBADRM C[C@@H](C(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])N1CCN(C)CC1 ZINC001589346787 1021216388 /nfs/dbraw/zinc/21/63/88/1021216388.db2.gz VEZNOOPFVUONDU-VHSXEESVSA-N -1 0 305.325 -0.057 20 0 DBADRM C[C@@H](C(=O)N1CCSC[C@H](C(=O)[O-])C1)N1CCN(C)CC1 ZINC001589365543 1021221627 /nfs/dbraw/zinc/22/16/27/1021221627.db2.gz VNOOKQBEFAOODZ-NWDGAFQWSA-N -1 0 315.439 -0.102 20 0 DBADRM C[C@H](C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)[C@@H]1CCC(=O)N1 ZINC001589356275 1021221701 /nfs/dbraw/zinc/22/17/01/1021221701.db2.gz ISDUCUHFJQWDAN-AEJSXWLSSA-N -1 0 321.337 -0.336 20 0 DBADRM C[C@H](C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1)[C@H]1CCC(=O)N1 ZINC001589356278 1021222491 /nfs/dbraw/zinc/22/24/91/1021222491.db2.gz ISDUCUHFJQWDAN-LPEHRKFASA-N -1 0 321.337 -0.336 20 0 DBADRM C[C@H](C(=O)N1CCOC[C@H]1C(=O)[O-])n1cnc2c1ncnc2N ZINC001589360195 1021225330 /nfs/dbraw/zinc/22/53/30/1021225330.db2.gz IZSRKWUNRWTJKR-SFYZADRCSA-N -1 0 320.309 -0.719 20 0 DBADRM C[C@H](C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-])N1CCN(C)CC1 ZINC001589380595 1021227573 /nfs/dbraw/zinc/22/75/73/1021227573.db2.gz AVUSIJKKMFXHMS-IUODEOHRSA-N -1 0 323.397 -0.522 20 0 DBADRM C[C@H](C(=O)N[C@@H](CC1OCCO1)C(=O)[O-])[C@H]1CCC(=O)N1 ZINC001589385986 1021232458 /nfs/dbraw/zinc/23/24/58/1021232458.db2.gz RHOCRQFCKCBQOT-YIZRAAEISA-N -1 0 300.311 -0.767 20 0 DBADRM C[C@H](C(=O)N[C@H](CC1CCOCC1)C(=O)[O-])S(C)(=O)=O ZINC001589385395 1021232521 /nfs/dbraw/zinc/23/25/21/1021232521.db2.gz DYJBZBBKBALRRY-PSASIEDQSA-N -1 0 307.368 -0.194 20 0 DBADRM C[C@@H](C(=O)NC[C@@H](O)CC(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC001589403291 1021235019 /nfs/dbraw/zinc/23/50/19/1021235019.db2.gz FLXHKTCOONCHPB-ONGXEEELSA-N -1 0 319.321 -0.147 20 0 DBADRM C[C@H](C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[C@H](C)S(C)(=O)=O ZINC001589413949 1021235193 /nfs/dbraw/zinc/23/51/93/1021235193.db2.gz SHCWAGNROFNWFW-AXTSPUMRSA-N -1 0 307.368 -0.339 20 0 DBADRM C[C@@H](C(=O)NCCNc1ncc(C(=O)[O-])cn1)S(C)(=O)=O ZINC001589410220 1021236353 /nfs/dbraw/zinc/23/63/53/1021236353.db2.gz XVXLZYQOUNNVOD-ZETCQYMHSA-N -1 0 316.339 -0.864 20 0 DBADRM C[C@@H](C(=O)NCCc1ncc(C(=O)[O-])s1)S(C)(=O)=O ZINC001589409761 1021236493 /nfs/dbraw/zinc/23/64/93/1021236493.db2.gz IGCKHYGOOJCSEK-LURJTMIESA-N -1 0 306.365 -0.067 20 0 DBADRM CC(C)[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ncon1 ZINC001589466725 1021247057 /nfs/dbraw/zinc/24/70/57/1021247057.db2.gz KVVWWTCJFYANOE-MRVPVSSYSA-N -1 0 318.301 -0.645 20 0 DBADRM CC(C)[C@@H](CO)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589459404 1021247158 /nfs/dbraw/zinc/24/71/58/1021247158.db2.gz CHHKOHOODQKCHE-DTWKUNHWSA-N -1 0 308.346 -0.600 20 0 DBADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1 ZINC001589498413 1021252272 /nfs/dbraw/zinc/25/22/72/1021252272.db2.gz UAYQITACETVTBE-SECBINFHSA-N -1 0 319.317 -0.228 20 0 DBADRM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)NC(N)=O ZINC001589480498 1021252636 /nfs/dbraw/zinc/25/26/36/1021252636.db2.gz NOUDMYFWMOIADQ-MRVPVSSYSA-N -1 0 322.281 -0.164 20 0 DBADRM CC(C)[C@H](O)CCNC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589476176 1021253957 /nfs/dbraw/zinc/25/39/57/1021253957.db2.gz NAEVVJKZJJNLKG-RKDXNWHRSA-N -1 0 308.346 -0.458 20 0 DBADRM C[C@@H](C(=O)[O-])N(C(=O)c1cnn(C[C@H](O)CO)c1)C1CCC1 ZINC001589478210 1021254118 /nfs/dbraw/zinc/25/41/18/1021254118.db2.gz IEYZMFMSCHATQP-CABZTGNLSA-N -1 0 311.338 -0.296 20 0 DBADRM C[C@@H](C(=O)[O-])N(CC(F)F)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC001589486996 1021255213 /nfs/dbraw/zinc/25/52/13/1021255213.db2.gz XCSACFBEKFUGNC-BQBZGAKWSA-N -1 0 316.326 -0.167 20 0 DBADRM CC(C)(C(=O)N1CCO[C@H](CC(=O)[O-])C1)N1CCOCC1 ZINC001589562547 1021257309 /nfs/dbraw/zinc/25/73/09/1021257309.db2.gz FBSZUSAJZBIXKN-LLVKDONJSA-N -1 0 300.355 -0.201 20 0 DBADRM CC(C)(C(=O)NC[C@H](O)C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC001589572825 1021259961 /nfs/dbraw/zinc/25/99/61/1021259961.db2.gz WJZZKABDPNMIOI-JTQLQIEISA-N -1 0 320.301 -0.377 20 0 DBADRM CC(C)(C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1CC1 ZINC001589560375 1021262710 /nfs/dbraw/zinc/26/27/10/1021262710.db2.gz ALDGBTVJJVNLFB-RKDXNWHRSA-N -1 0 319.379 -0.364 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)NC[C@@H]2CCOC2)cn1 ZINC001589660414 1021265894 /nfs/dbraw/zinc/26/58/94/1021265894.db2.gz JUEFKJJTGRIUDD-VIFPVBQESA-N -1 0 324.337 -0.206 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)NCc2ccon2)cn1 ZINC001589660268 1021267116 /nfs/dbraw/zinc/26/71/16/1021267116.db2.gz HPBSDYBXUVHFRK-UHFFFAOYSA-N -1 0 321.293 -0.054 20 0 DBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N2C[C@@H](O)C[C@H]2CO)n1 ZINC001589674931 1021278551 /nfs/dbraw/zinc/27/85/51/1021278551.db2.gz HPPNNICWEZAHPJ-IUCAKERBSA-N -1 0 312.326 -0.338 20 0 DBADRM CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1 ZINC001589681809 1021278899 /nfs/dbraw/zinc/27/88/99/1021278899.db2.gz GLNPFLDMFRRQJB-ZKCHVHJHSA-N -1 0 321.337 -0.833 20 0 DBADRM CC(C)(C(N)=O)C(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1 ZINC001589682026 1021279888 /nfs/dbraw/zinc/27/98/88/1021279888.db2.gz MKNRJKBFOBRXEK-QMMMGPOBSA-N -1 0 321.337 -0.619 20 0 DBADRM CC(C)(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001589685208 1021281511 /nfs/dbraw/zinc/28/15/11/1021281511.db2.gz VTHOACFLVTYBND-UWVGGRQHSA-N -1 0 310.350 -0.007 20 0 DBADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1cnn(C[C@H](O)CO)c1 ZINC001589707077 1021286717 /nfs/dbraw/zinc/28/67/17/1021286717.db2.gz YXPZHURIHKQTKL-WDEREUQCSA-N -1 0 313.354 -0.145 20 0 DBADRM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001589722670 1021289097 /nfs/dbraw/zinc/28/90/97/1021289097.db2.gz MREHOICMLAVDFK-GHMZBOCLSA-N -1 0 313.354 -0.145 20 0 DBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001589718211 1021289284 /nfs/dbraw/zinc/28/92/84/1021289284.db2.gz ZYPBGSCRXABJIT-VHSXEESVSA-N -1 0 315.370 -0.247 20 0 DBADRM CC(C)NC(=O)[C@H](C)OC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589719744 1021295951 /nfs/dbraw/zinc/29/59/51/1021295951.db2.gz FQNCVLIUXOASIL-SFYZADRCSA-N -1 0 322.329 -0.525 20 0 DBADRM C[C@@H](CC(=O)NCCn1cnc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001589792704 1021300902 /nfs/dbraw/zinc/30/09/02/1021300902.db2.gz ICPPMZZOALPWRN-VHSXEESVSA-N -1 0 320.357 -0.220 20 0 DBADRM CC(C)(C)C[C@H](NC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC001589745244 1021302642 /nfs/dbraw/zinc/30/26/42/1021302642.db2.gz BYYALQSGNFLTRF-VIFPVBQESA-N -1 0 321.337 -0.103 20 0 DBADRM CC(C)(C)CN(CCO)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001589780925 1021303453 /nfs/dbraw/zinc/30/34/53/1021303453.db2.gz TUYAIJFNVAMZCB-MGCOHNPYSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)S(=O)(=O)CCCn1cnc(-c2nnn[n-]2)cc1=O ZINC001589759128 1021304770 /nfs/dbraw/zinc/30/47/70/1021304770.db2.gz HPYOLLXGQPOPES-UHFFFAOYSA-N -1 0 312.355 -0.363 20 0 DBADRM CC(C)(C)C[C@@H](O)CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001589756690 1021305279 /nfs/dbraw/zinc/30/52/79/1021305279.db2.gz CQUJKOLPESKYCK-UWVGGRQHSA-N -1 0 321.395 -0.116 20 0 DBADRM C[C@H](CC(C)(C)O)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001589796432 1021307514 /nfs/dbraw/zinc/30/75/14/1021307514.db2.gz MEGMVVUONIICHA-SFYZADRCSA-N -1 0 308.346 -0.315 20 0 DBADRM CC(C)(C)NC(=O)CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001589823666 1021308740 /nfs/dbraw/zinc/30/87/40/1021308740.db2.gz NGWWOHVFURGABM-OAHLLOKOSA-N -1 0 313.398 -0.238 20 0 DBADRM CC(C)(C)N1CCC[C@H](C(=O)NCC(=O)NCC(=O)[O-])C1=O ZINC001589818013 1021310871 /nfs/dbraw/zinc/31/08/71/1021310871.db2.gz KMMZJNMQUCNOBI-SECBINFHSA-N -1 0 313.354 -0.660 20 0 DBADRM CC(C)(C)N1C[C@H](C(=O)N[C@H](Cn2cncn2)C(=O)[O-])CC1=O ZINC001589796079 1021310890 /nfs/dbraw/zinc/31/08/90/1021310890.db2.gz NBXQWUQAHMTFFC-NXEZZACHSA-N -1 0 323.353 -0.506 20 0 DBADRM CC(C)(C)N1C[C@@H](C(=O)NC2(C(=O)[O-])CC(CO)C2)CC1=O ZINC001589796842 1021311555 /nfs/dbraw/zinc/31/15/55/1021311555.db2.gz WYWHODAWVCUOLD-VOZQYIJBSA-N -1 0 312.366 -0.025 20 0 DBADRM CC(C)(C)NC(=O)CCNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001589824442 1021313334 /nfs/dbraw/zinc/31/33/34/1021313334.db2.gz FYJVEQSJNGEJKL-KYZUINATSA-N -1 0 313.354 -0.613 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001589834679 1021313737 /nfs/dbraw/zinc/31/37/37/1021313737.db2.gz LRPBHMVBLVMFRW-SCZZXKLOSA-N -1 0 322.383 -0.859 20 0 DBADRM CC(C)(C)NC(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001589824854 1021314006 /nfs/dbraw/zinc/31/40/06/1021314006.db2.gz OEEDIMQEXIKJMC-UHFFFAOYSA-N -1 0 318.355 -0.309 20 0 DBADRM CC(C)(C)NC(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001589823810 1021315002 /nfs/dbraw/zinc/31/50/02/1021315002.db2.gz UPOCZNLIEGOEAW-QWRGUYRKSA-N -1 0 311.382 -0.234 20 0 DBADRM CC(C)(C)NS(=O)(=O)CCNc1ccnc(C(=O)[O-])n1 ZINC001589839071 1021315185 /nfs/dbraw/zinc/31/51/85/1021315185.db2.gz NCDAKZFUZLGDIR-UHFFFAOYSA-N -1 0 302.356 -0.274 20 0 DBADRM CC(C)(C)NS(=O)(=O)CC(=O)NCc1ocnc1C(=O)[O-] ZINC001589834393 1021316873 /nfs/dbraw/zinc/31/68/73/1021316873.db2.gz GNYGRESNBOQNPR-UHFFFAOYSA-N -1 0 319.339 -0.293 20 0 DBADRM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC001589857521 1021317811 /nfs/dbraw/zinc/31/78/11/1021317811.db2.gz PGPXNZHCIFFZHZ-JGVFFNPUSA-N -1 0 302.283 -0.965 20 0 DBADRM C[C@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cn1)C(=O)[O-] ZINC001589858973 1021319082 /nfs/dbraw/zinc/31/90/82/1021319082.db2.gz JKYZVYXEZGTKEQ-SSDOTTSWSA-N -1 0 305.298 -0.218 20 0 DBADRM CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CC(=O)[O-] ZINC001589865942 1021324967 /nfs/dbraw/zinc/32/49/67/1021324967.db2.gz ILGUWAHODRAPOR-MRVPVSSYSA-N -1 0 321.351 -0.572 20 0 DBADRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)C[C@H]1CC(=O)N1 ZINC001589877726 1021328203 /nfs/dbraw/zinc/32/82/03/1021328203.db2.gz MWFDWBKCEWIJAU-SECBINFHSA-N -1 0 314.338 -0.090 20 0 DBADRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)[C@@]1(O)CCOC1 ZINC001589878031 1021329308 /nfs/dbraw/zinc/32/93/08/1021329308.db2.gz LAOYLAITONVJCM-CQSZACIVSA-N -1 0 317.338 -0.217 20 0 DBADRM CC(C)(C)OC(=O)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001589890381 1021330196 /nfs/dbraw/zinc/33/01/96/1021330196.db2.gz KHMRSSNGTXJZRH-VIFPVBQESA-N -1 0 314.338 -0.233 20 0 DBADRM C[C@H](Cn1cncn1)NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001589904664 1021332467 /nfs/dbraw/zinc/33/24/67/1021332467.db2.gz UYCPUASMUDOFAD-MRVPVSSYSA-N -1 0 314.309 -0.018 20 0 DBADRM CC(C)(C)OC(=O)Cn1cc(C(=O)NC[C@H](F)C(=O)[O-])nn1 ZINC001589901976 1021332853 /nfs/dbraw/zinc/33/28/53/1021332853.db2.gz ZBSIFKJTHFQOQM-ZETCQYMHSA-N -1 0 316.289 -0.228 20 0 DBADRM CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC001589921015 1021340214 /nfs/dbraw/zinc/34/02/14/1021340214.db2.gz UPALHKJQOHRRFW-IUCAKERBSA-N -1 0 320.317 -0.247 20 0 DBADRM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C1(CO)CC1 ZINC001589978451 1021344208 /nfs/dbraw/zinc/34/42/08/1021344208.db2.gz ROPPDXYHRWODQR-LURJTMIESA-N -1 0 307.314 -0.761 20 0 DBADRM C[C@@](O)(CNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1)C(=O)[O-] ZINC001589988788 1021345604 /nfs/dbraw/zinc/34/56/04/1021345604.db2.gz PNBQCNFPJFQLDR-GFCCVEGCSA-N -1 0 324.272 -0.037 20 0 DBADRM C[C@@H](O)[C@@H]1CCCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001589994632 1021354769 /nfs/dbraw/zinc/35/47/69/1021354769.db2.gz HABUTCXPHMVAGS-BDAKNGLRSA-N -1 0 306.330 -0.780 20 0 DBADRM C[C@H](C[C@H](C)O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589996503 1021355985 /nfs/dbraw/zinc/35/59/85/1021355985.db2.gz HDNONMBTJFKEQS-RQJHMYQMSA-N -1 0 301.328 -0.103 20 0 DBADRM C[C@@H](c1nc(-c2cnn(C)c2)no1)n1cnc(-c2nnn[n-]2)n1 ZINC001590054910 1021372759 /nfs/dbraw/zinc/37/27/59/1021372759.db2.gz VTUIAPQOGPYUFU-LURJTMIESA-N -1 0 313.285 -0.149 20 0 DBADRM C[C@@H](O)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590003856 1021375884 /nfs/dbraw/zinc/37/58/84/1021375884.db2.gz QZCDNDSAQNOPFQ-HTQZYQBOSA-N -1 0 313.339 -0.006 20 0 DBADRM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@H](CO)C(=O)[O-])C1 ZINC001590065543 1021376719 /nfs/dbraw/zinc/37/67/19/1021376719.db2.gz VKKRORQEKCVTGB-RKDXNWHRSA-N -1 0 318.326 -0.816 20 0 DBADRM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)N1CCOCC1 ZINC001590009965 1021378204 /nfs/dbraw/zinc/37/82/04/1021378204.db2.gz LGSXFZPWLLFZHO-QMMMGPOBSA-N -1 0 321.293 -0.136 20 0 DBADRM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001590072483 1021380870 /nfs/dbraw/zinc/38/08/70/1021380870.db2.gz HLIVDLPEBGYSHE-MRVPVSSYSA-N -1 0 300.311 -0.346 20 0 DBADRM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NC[C@H](O)C(=O)[O-] ZINC001590097549 1021384135 /nfs/dbraw/zinc/38/41/35/1021384135.db2.gz KIVKUEAWZDABNR-AATLWQCWSA-N -1 0 314.338 -0.197 20 0 DBADRM CC1(C)CO[C@@H](CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC001590110830 1021388214 /nfs/dbraw/zinc/38/82/14/1021388214.db2.gz JJBWUVVUZDSQOY-MRVPVSSYSA-N -1 0 306.330 -0.611 20 0 DBADRM C[C@@]1(CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCCO1 ZINC001590130386 1021391276 /nfs/dbraw/zinc/39/12/76/1021391276.db2.gz HDBXJKWTSWCAPX-LBPRGKRZSA-N -1 0 321.345 -0.674 20 0 DBADRM C[C@@]1(NS(=O)(=O)c2cccnc2-c2nnn[n-]2)CCOC1=O ZINC001590149592 1021393995 /nfs/dbraw/zinc/39/39/95/1021393995.db2.gz WUXJOIUSKFIDIP-LLVKDONJSA-N -1 0 324.322 -0.754 20 0 DBADRM C[C@]12CN(c3ccnc(-c4nnn[n-]4)n3)C[C@@]1(C)C(=O)NC2=O ZINC001590155308 1021394067 /nfs/dbraw/zinc/39/40/67/1021394067.db2.gz HCSGJVUUYJJSOB-BETUJISGSA-N -1 0 314.309 -0.854 20 0 DBADRM CC1(O)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001590149819 1021394194 /nfs/dbraw/zinc/39/41/94/1021394194.db2.gz CSGNCXDRMPOIMW-UHFFFAOYSA-N -1 0 313.339 -0.005 20 0 DBADRM CC1=C[C@H](C)CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC001590158489 1021397607 /nfs/dbraw/zinc/39/76/07/1021397607.db2.gz ZKMBDZBEINTKJS-QMMMGPOBSA-N -1 0 317.353 -0.334 20 0 DBADRM CC1(NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CC=CC1 ZINC001590144360 1021399376 /nfs/dbraw/zinc/39/93/76/1021399376.db2.gz UTBVYBCERYBPTJ-UHFFFAOYSA-N -1 0 303.330 -0.134 20 0 DBADRM C[C@H]1C(=O)CC[C@@H]1CC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590164737 1021403174 /nfs/dbraw/zinc/40/31/74/1021403174.db2.gz USOYNAYRIXAJCT-RKDXNWHRSA-N -1 0 318.341 -0.420 20 0 DBADRM C[C@H]1C(=O)N(C)CN1S(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001590162837 1021408899 /nfs/dbraw/zinc/40/88/99/1021408899.db2.gz FDALLPIGEDMTOT-ZETCQYMHSA-N -1 0 323.338 -0.930 20 0 DBADRM C[C@@H]1C[C@@H](C)CN(C(=O)Cn2cncc(-c3nnn[n-]3)c2=O)C1 ZINC001590187450 1021417107 /nfs/dbraw/zinc/41/71/07/1021417107.db2.gz KGKAIJSZAADONP-NXEZZACHSA-N -1 0 317.353 -0.072 20 0 DBADRM C[C@@H]1CC(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@@H](C)O1 ZINC001590202172 1021417359 /nfs/dbraw/zinc/41/73/59/1021417359.db2.gz WQCNBRBYARCFSC-HTQZYQBOSA-N -1 0 306.330 -0.470 20 0 DBADRM C[C@@H]1C[C@@H](NC(=O)NCCn2cnc(-c3nnn[n-]3)n2)[C@@H](C)O1 ZINC001590199162 1021418064 /nfs/dbraw/zinc/41/80/64/1021418064.db2.gz JERAFVDHDVKVIS-IWSPIJDZSA-N -1 0 321.345 -0.677 20 0 DBADRM C[C@H]1C[C@H](C)CN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001590189178 1021418431 /nfs/dbraw/zinc/41/84/31/1021418431.db2.gz HRTVVGKSSBJMSV-YUMQZZPRSA-N -1 0 305.342 -0.264 20 0 DBADRM C[C@@H]1C[C@H](CNc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CCO1 ZINC001590193805 1021422683 /nfs/dbraw/zinc/42/26/83/1021422683.db2.gz OALAYOHKPNIESX-HTQZYQBOSA-N -1 0 321.341 -0.107 20 0 DBADRM C[C@@H]1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CS1 ZINC001590206620 1021429035 /nfs/dbraw/zinc/42/90/35/1021429035.db2.gz JWHLGEHJJCIEQV-PHDIDXHHSA-N -1 0 309.355 -0.028 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001590215956 1021429219 /nfs/dbraw/zinc/42/92/19/1021429219.db2.gz LMKLVKHKNNNTMK-RCOVLWMOSA-N -1 0 308.323 -0.277 20 0 DBADRM C[C@H]1C[C@@H]1C(=O)NCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001590215599 1021431611 /nfs/dbraw/zinc/43/16/11/1021431611.db2.gz KAPJTVPWXLSZDP-IUCAKERBSA-N -1 0 302.342 -0.135 20 0 DBADRM C[C@H](C(=O)N1CC(=O)CC[C@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590218173 1021431673 /nfs/dbraw/zinc/43/16/73/1021431673.db2.gz HJBYYDDHCGVEKC-HTQZYQBOSA-N -1 0 304.314 -0.401 20 0 DBADRM C[C@@H](C(=O)N1CC[C@@H](C)[C@@H]1CO)n1cnc(-c2nnn[n-]2)n1 ZINC001590264064 1021433475 /nfs/dbraw/zinc/43/34/75/1021433475.db2.gz PYDQNLOERLANAH-VGMNWLOBSA-N -1 0 306.330 -0.752 20 0 DBADRM C[C@@H](C(=O)N1CCO[C@@H](C)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001590263650 1021434111 /nfs/dbraw/zinc/43/41/11/1021434111.db2.gz OIIMTWUPDNMXJM-IUCAKERBSA-N -1 0 306.330 -0.343 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001590267393 1021434672 /nfs/dbraw/zinc/43/46/72/1021434672.db2.gz CGVRNLNOWXZEHI-UTINFBMNSA-N -1 0 314.338 -0.054 20 0 DBADRM C[C@H](C(=O)NN1CCCC[C@@H]1C)n1cnc(-c2nnn[n-]2)n1 ZINC001590257793 1021434858 /nfs/dbraw/zinc/43/48/58/1021434858.db2.gz ZGZHWSQWSMBHKG-DTWKUNHWSA-N -1 0 305.346 -0.075 20 0 DBADRM CC(C)(C)OC(=O)NOCC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001590232932 1021438298 /nfs/dbraw/zinc/43/82/98/1021438298.db2.gz MGBUDLWPUZDEIU-BDAKNGLRSA-N -1 0 318.326 -0.263 20 0 DBADRM C[C@@H]1CCC[C@@H](C)N1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590243964 1021438323 /nfs/dbraw/zinc/43/83/23/1021438323.db2.gz OPMWTBQJHSVKRL-RKDXNWHRSA-N -1 0 305.346 -0.248 20 0 DBADRM C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590278232 1021445122 /nfs/dbraw/zinc/44/51/22/1021445122.db2.gz QDDLSNQOTMXCJZ-WRWORJQWSA-N -1 0 316.321 -0.173 20 0 DBADRM C[C@@H]1CO[C@@H](C(=O)NCCNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590320917 1021456313 /nfs/dbraw/zinc/45/63/13/1021456313.db2.gz AQGFBABSDFKLMG-DTWKUNHWSA-N -1 0 318.341 -0.968 20 0 DBADRM C[C@H]1COCC[C@@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590322375 1021459145 /nfs/dbraw/zinc/45/91/45/1021459145.db2.gz FGRYWDNOTFZQIE-DTWKUNHWSA-N -1 0 306.330 -0.753 20 0 DBADRM CN(C[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1(C)CC1 ZINC001514644136 1021465889 /nfs/dbraw/zinc/46/58/89/1021465889.db2.gz RHFMKESEDKMNNI-QMMMGPOBSA-N -1 0 321.337 -0.244 20 0 DBADRM C[C@H]1COCC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001590324651 1021467247 /nfs/dbraw/zinc/46/72/47/1021467247.db2.gz PHQABPVCVUKIPZ-NKWVEPMBSA-N -1 0 307.314 -0.497 20 0 DBADRM C[C@H]1CSC[C@@H]1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590327888 1021467618 /nfs/dbraw/zinc/46/76/18/1021467618.db2.gz ADAAKNWKKSUODQ-YUMQZZPRSA-N -1 0 323.386 -0.491 20 0 DBADRM C[C@@H]1SCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@H]1C ZINC001590338700 1021471288 /nfs/dbraw/zinc/47/12/88/1021471288.db2.gz VQROAZKJESCMMK-BQBZGAKWSA-N -1 0 323.382 -0.416 20 0 DBADRM C[C@H]1OCC[C@@]1(O)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590336208 1021475007 /nfs/dbraw/zinc/47/50/07/1021475007.db2.gz XBFIYYNGRBOLPD-XLKFXECMSA-N -1 0 319.321 -0.158 20 0 DBADRM CCC(=O)N1CCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001590362321 1021478365 /nfs/dbraw/zinc/47/83/65/1021478365.db2.gz GMAUPKROVPGTFW-MRVPVSSYSA-N -1 0 319.329 -0.943 20 0 DBADRM CCC(=O)N1CC[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590360969 1021478689 /nfs/dbraw/zinc/47/86/89/1021478689.db2.gz QXHPIXSFZRVLIQ-SECBINFHSA-N -1 0 302.342 -0.251 20 0 DBADRM CCC(=O)[C@H]1CCCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC001590360437 1021480030 /nfs/dbraw/zinc/48/00/30/1021480030.db2.gz ZZTRONOWJMMKPG-SECBINFHSA-N -1 0 318.341 -0.182 20 0 DBADRM CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001590422657 1021484863 /nfs/dbraw/zinc/48/48/63/1021484863.db2.gz QSAVHISSCFFRMQ-WCBMZHEXSA-N -1 0 307.368 -0.364 20 0 DBADRM CCC(CC)Cn1c(=O)c(-c2nnn[n-]2)c(C)n(CCO)c1=O ZINC001590434062 1021489738 /nfs/dbraw/zinc/48/97/38/1021489738.db2.gz CCFLFSMHHDVNDW-UHFFFAOYSA-N -1 0 322.369 -0.073 20 0 DBADRM CC[C@H](CS(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1)OC ZINC001590446670 1021492992 /nfs/dbraw/zinc/49/29/92/1021492992.db2.gz FUCBRMDJYDOGOA-SSDOTTSWSA-N -1 0 315.359 -0.233 20 0 DBADRM CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)[C@H](C)O ZINC001590468419 1021495529 /nfs/dbraw/zinc/49/55/29/1021495529.db2.gz FATSZIOBNKEKNC-BQBZGAKWSA-N -1 0 301.328 -0.103 20 0 DBADRM CC[C@]1(O)CCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)C1 ZINC001590499981 1021504630 /nfs/dbraw/zinc/50/46/30/1021504630.db2.gz IYQJJJRBRAIEGF-UFBFGSQYSA-N -1 0 306.330 -0.607 20 0 DBADRM CC[C@@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)[C@H](C)O ZINC001590470055 1021508071 /nfs/dbraw/zinc/50/80/71/1021508071.db2.gz OTEZTKVWGGERLT-JGVFFNPUSA-N -1 0 312.355 -0.301 20 0 DBADRM CC[C@@H]1CC[C@@H](C(=O)NCCn2cnc(-c3nnn[n-]3)n2)O1 ZINC001590504996 1021509373 /nfs/dbraw/zinc/50/93/73/1021509373.db2.gz NUQFTFQEPACGMC-BDAKNGLRSA-N -1 0 306.330 -0.468 20 0 DBADRM CC[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)C1 ZINC001590513195 1021510409 /nfs/dbraw/zinc/51/04/09/1021510409.db2.gz OVCMWERKBZJNMC-QMMMGPOBSA-N -1 0 305.342 -0.120 20 0 DBADRM CCC[C@@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)OC ZINC001590557164 1021513966 /nfs/dbraw/zinc/51/39/66/1021513966.db2.gz JFLNPERDFLFFOG-QMMMGPOBSA-N -1 0 323.357 -0.509 20 0 DBADRM CCC/C=C/[C@@H](O)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590568348 1021514124 /nfs/dbraw/zinc/51/41/24/1021514124.db2.gz CQRGBUSOVQOFSQ-XNPJLODASA-N -1 0 306.330 -0.708 20 0 DBADRM CCC[C@@H](CCO)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590556662 1021514740 /nfs/dbraw/zinc/51/47/40/1021514740.db2.gz SUMRLKPSVKXCEZ-UWVGGRQHSA-N -1 0 322.373 -0.066 20 0 DBADRM CC(C)(C)c1ncc(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])cn1 ZINC001590556174 1021516540 /nfs/dbraw/zinc/51/65/40/1021516540.db2.gz KJKCMTKWHPFBCN-SECBINFHSA-N -1 0 324.337 -0.336 20 0 DBADRM CCC[C@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)OC ZINC001590558215 1021517756 /nfs/dbraw/zinc/51/77/56/1021517756.db2.gz ZUMPFUTWOZJNQP-SSDOTTSWSA-N -1 0 309.330 -0.107 20 0 DBADRM CCC[C@H](CCO)CNC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590556663 1021519108 /nfs/dbraw/zinc/51/91/08/1021519108.db2.gz SUMRLKPSVKXCEZ-VHSXEESVSA-N -1 0 322.373 -0.066 20 0 DBADRM CCC[C@H](CCO)NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590556770 1021520045 /nfs/dbraw/zinc/52/00/45/1021520045.db2.gz XLYNXXWMIQSDKO-DTWKUNHWSA-N -1 0 308.346 -0.314 20 0 DBADRM CCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001590536693 1021521344 /nfs/dbraw/zinc/52/13/44/1021521344.db2.gz NEZMCPKAZVVHRS-SECBINFHSA-N -1 0 302.342 -0.109 20 0 DBADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC(NS(N)(=O)=O)CC1 ZINC001590626512 1021522957 /nfs/dbraw/zinc/52/29/57/1021522957.db2.gz WYMRXPAUDRUDOT-UHFFFAOYSA-N -1 0 321.399 -0.339 20 0 DBADRM CC(C)(C)n1[nH]cnc1=NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001590609565 1021523141 /nfs/dbraw/zinc/52/31/41/1021523141.db2.gz JSVKLYINMNHJQK-SECBINFHSA-N -1 0 323.353 -0.283 20 0 DBADRM CC(C)(C)n1nnc(CC(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001590609213 1021523315 /nfs/dbraw/zinc/52/33/15/1021523315.db2.gz CBUDQEJVMJUWLA-UHFFFAOYSA-N -1 0 322.329 -0.923 20 0 DBADRM CCCCN(CCO)C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590600883 1021527660 /nfs/dbraw/zinc/52/76/60/1021527660.db2.gz AHKJCEABLKIUGG-UHFFFAOYSA-N -1 0 323.361 -0.738 20 0 DBADRM CCCCS(=O)(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590611138 1021529325 /nfs/dbraw/zinc/52/93/25/1021529325.db2.gz DAERPKVMUXJHCQ-UHFFFAOYSA-N -1 0 300.348 -0.822 20 0 DBADRM CCCO[N-]C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(C)n1 ZINC001590644981 1021536275 /nfs/dbraw/zinc/53/62/75/1021536275.db2.gz PXTNDSCIOVUFOT-UHFFFAOYSA-N -1 0 305.298 -0.034 20 0 DBADRM CCN(CC(C)(C)O)C(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590682620 1021540948 /nfs/dbraw/zinc/54/09/48/1021540948.db2.gz NHGOGBDUEFKCKM-MRVPVSSYSA-N -1 0 308.346 -0.361 20 0 DBADRM CCN(C[C@@H](C)OC)C(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590680460 1021544626 /nfs/dbraw/zinc/54/46/26/1021544626.db2.gz CTGJQPLIVVBLAD-BDAKNGLRSA-N -1 0 308.346 -0.097 20 0 DBADRM CC(C)(CNC(=O)CCN1C(=O)CCNC1=S)C(=O)[O-] ZINC001590708680 1021549505 /nfs/dbraw/zinc/54/95/05/1021549505.db2.gz UIXJUCBFOUEKKZ-UHFFFAOYSA-N -1 0 301.368 -0.290 20 0 DBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](C)Oc2ccccc21 ZINC001517123992 1021556824 /nfs/dbraw/zinc/55/68/24/1021556824.db2.gz DBCQUTJKXJTQPH-VIFPVBQESA-N -1 0 307.306 -0.406 20 0 DBADRM CCN(OC)C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590723548 1021558567 /nfs/dbraw/zinc/55/85/67/1021558567.db2.gz QJPSKJFXNIMALO-UHFFFAOYSA-N -1 0 320.309 -0.288 20 0 DBADRM CCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001590736835 1021565374 /nfs/dbraw/zinc/56/53/74/1021565374.db2.gz UWMMMDOBMFFBTF-UHFFFAOYSA-N -1 0 312.355 -0.214 20 0 DBADRM CCNC(=O)CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590740437 1021566299 /nfs/dbraw/zinc/56/62/99/1021566299.db2.gz UWXNMAZHCWHWOG-UHFFFAOYSA-N -1 0 314.327 -0.784 20 0 DBADRM CC(C)(CNC(N)=O)NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001590757623 1021568537 /nfs/dbraw/zinc/56/85/37/1021568537.db2.gz QVLBOWIRDLXDQV-BDAKNGLRSA-N -1 0 321.399 -0.004 20 0 DBADRM CCNC(=O)NCCNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001590744195 1021571199 /nfs/dbraw/zinc/57/11/99/1021571199.db2.gz VDRBWSLTPMNAAK-UHFFFAOYSA-N -1 0 319.325 -0.379 20 0 DBADRM CCOC(=O)[C@H](C)COC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1 ZINC001590750683 1021572227 /nfs/dbraw/zinc/57/22/27/1021572227.db2.gz LSQJIXFKYHMKET-HTQZYQBOSA-N -1 0 323.313 -0.238 20 0 DBADRM CCOC(=O)COCCn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001590765392 1021574573 /nfs/dbraw/zinc/57/45/73/1021574573.db2.gz LSWKTKSWUFTMEB-UHFFFAOYSA-N -1 0 307.310 -0.083 20 0 DBADRM CC(C)(CNS(=O)(=O)CC1(C(=O)[O-])CC1)N1CCOCC1 ZINC001590775759 1021579515 /nfs/dbraw/zinc/57/95/15/1021579515.db2.gz DNGLGLOAXRFBRW-UHFFFAOYSA-N -1 0 320.411 -0.119 20 0 DBADRM CCOC(COCCNc1ccnc(-c2nnn[n-]2)n1)OCC ZINC001590785051 1021582759 /nfs/dbraw/zinc/58/27/59/1021582759.db2.gz IBZKWGKAVIEAQV-UHFFFAOYSA-N -1 0 323.357 -0.094 20 0 DBADRM CC(C)(CS(=O)(=O)NC1(C(N)=O)CCOCC1)C(=O)[O-] ZINC001590799066 1021582913 /nfs/dbraw/zinc/58/29/13/1021582913.db2.gz KSGKOBZRNPDVNW-UHFFFAOYSA-N -1 0 308.356 -0.949 20 0 DBADRM CC(C)(CS(=O)(=O)N1CC2(C1)CCNC(=O)O2)C(=O)[O-] ZINC001590788640 1021584802 /nfs/dbraw/zinc/58/48/02/1021584802.db2.gz GYAQUKOLSLBFND-UHFFFAOYSA-N -1 0 306.340 -0.389 20 0 DBADRM CC(C)(F)C(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001590827119 1021593642 /nfs/dbraw/zinc/59/36/42/1021593642.db2.gz PXNNDRYURUGBPE-DTWKUNHWSA-N -1 0 304.318 -0.608 20 0 DBADRM CCO[N-]C(=O)CNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC001590818481 1021594355 /nfs/dbraw/zinc/59/43/55/1021594355.db2.gz BLMZBHJHSKKMQG-UHFFFAOYSA-N -1 0 320.309 -0.571 20 0 DBADRM CC(C)(F)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001590826323 1021595916 /nfs/dbraw/zinc/59/59/16/1021595916.db2.gz CFOKADAOZXZCFY-YUMQZZPRSA-N -1 0 302.302 -0.855 20 0 DBADRM CC(C)(NC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC001590836147 1021597100 /nfs/dbraw/zinc/59/71/00/1021597100.db2.gz IHLRILHCASWXGI-UHFFFAOYSA-N -1 0 319.317 -0.110 20 0 DBADRM CCS(=O)(=O)NCCOC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590848162 1021598711 /nfs/dbraw/zinc/59/87/11/1021598711.db2.gz ONZNMYNXOIGSAN-UHFFFAOYSA-N -1 0 315.311 -0.444 20 0 DBADRM CCS(=O)(=O)C[C@H](C)N(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001590847919 1021599793 /nfs/dbraw/zinc/59/97/93/1021599793.db2.gz XQZBBYDLXILGAF-QMMMGPOBSA-N -1 0 311.371 -0.084 20 0 DBADRM CC[C@@H]1OCC[C@H]1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590861134 1021600289 /nfs/dbraw/zinc/60/02/89/1021600289.db2.gz MBOQTKCWKYVXEN-BDAKNGLRSA-N -1 0 306.330 -0.611 20 0 DBADRM CC(C)(O)[C@H](O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001590888694 1021604101 /nfs/dbraw/zinc/60/41/01/1021604101.db2.gz LJSGUZHEDWZEOM-GFCCVEGCSA-N -1 0 324.333 -0.039 20 0 DBADRM CO[N-]C(=O)Cn1nnnc1N1CCO[C@H](C(C)(C)C)CC1 ZINC001520682492 1021604388 /nfs/dbraw/zinc/60/43/88/1021604388.db2.gz DBLKRQZSVUHLLW-JTQLQIEISA-N -1 0 312.374 -0.008 20 0 DBADRM CC(C)(O)C[C@H](O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001590893893 1021605182 /nfs/dbraw/zinc/60/51/82/1021605182.db2.gz VMRAMUOQANOGGA-UWVGGRQHSA-N -1 0 309.384 -0.918 20 0 DBADRM CCc1cccc(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)n1 ZINC001590894059 1021606051 /nfs/dbraw/zinc/60/60/51/1021606051.db2.gz IXBZFJYOVIWBNM-UHFFFAOYSA-N -1 0 313.325 -0.154 20 0 DBADRM CC(C)(O)CCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001590898174 1021607036 /nfs/dbraw/zinc/60/70/36/1021607036.db2.gz IFOYUQLUASLIFM-SECBINFHSA-N -1 0 307.368 -0.362 20 0 DBADRM CC(C)(O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001590893563 1021607543 /nfs/dbraw/zinc/60/75/43/1021607543.db2.gz KKELJWHEIWGHED-SSDOTTSWSA-N -1 0 303.340 -0.111 20 0 DBADRM CC(C)(O)[C@H](O)C(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001590882428 1021607915 /nfs/dbraw/zinc/60/79/15/1021607915.db2.gz DHVGWBXXCHYRKO-VXGBXAGGSA-N -1 0 309.318 -0.005 20 0 DBADRM CCc1nocc1Cn1c(=O)c(-c2nnn[n-]2)cn(CC)c1=O ZINC001590936795 1021611219 /nfs/dbraw/zinc/61/12/19/1021611219.db2.gz PRLCAWKDTAVCIO-UHFFFAOYSA-N -1 0 317.309 -0.191 20 0 DBADRM CCc1nnc(COC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)[nH]1 ZINC001590913841 1021611544 /nfs/dbraw/zinc/61/15/44/1021611544.db2.gz JBKOXTDMWDPWHT-LURJTMIESA-N -1 0 318.301 -0.557 20 0 DBADRM CCc1noc(C)c1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590935276 1021611971 /nfs/dbraw/zinc/61/19/71/1021611971.db2.gz XDBBBMZDOFUBPV-UHFFFAOYSA-N -1 0 317.313 -0.253 20 0 DBADRM CCc1ncncc1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590926663 1021612031 /nfs/dbraw/zinc/61/20/31/1021612031.db2.gz YOCYJDFOJCLFFX-UHFFFAOYSA-N -1 0 314.313 -0.759 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC2(OC)CCC2)c1=O ZINC001590950144 1021614732 /nfs/dbraw/zinc/61/47/32/1021614732.db2.gz SNFPMQXTUVTTSK-UHFFFAOYSA-N -1 0 306.326 -0.221 20 0 DBADRM CCn1cc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)cn1 ZINC001590955227 1021614875 /nfs/dbraw/zinc/61/48/75/1021614875.db2.gz VEGPRSTVTSQDII-SSDOTTSWSA-N -1 0 302.302 -0.126 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2snnc2C)c1=O ZINC001590949993 1021615760 /nfs/dbraw/zinc/61/57/60/1021615760.db2.gz VSPAFSYLDXWCSK-UHFFFAOYSA-N -1 0 320.338 -0.582 20 0 DBADRM CCn1cc(CN(C)C(=O)Cn2cnc(-c3nnn[n-]3)n2)cn1 ZINC001590952918 1021615990 /nfs/dbraw/zinc/61/59/90/1021615990.db2.gz IJJRQWYIOKNBIC-UHFFFAOYSA-N -1 0 316.329 -0.667 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC[C@H](C)C(C)=O)c1=O ZINC001590949830 1021616796 /nfs/dbraw/zinc/61/67/96/1021616796.db2.gz JJJMWXXXIQINSY-QMMMGPOBSA-N -1 0 306.326 -0.175 20 0 DBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CN(C)C(=O)C(C)C)c1=O ZINC001590949871 1021617910 /nfs/dbraw/zinc/61/79/10/1021617910.db2.gz LYDHRPHWLZKRAR-UHFFFAOYSA-N -1 0 321.341 -0.718 20 0 DBADRM CC(C)[C@@H](CCO)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001590980446 1021619396 /nfs/dbraw/zinc/61/93/96/1021619396.db2.gz DNPZSGANNURTHR-WDEREUQCSA-N -1 0 300.355 -0.167 20 0 DBADRM CN(C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1)[C@H]1CCNC1=O ZINC001590992794 1021625635 /nfs/dbraw/zinc/62/56/35/1021625635.db2.gz ZGUIHPFOZWRMJW-VIFPVBQESA-N -1 0 302.294 -0.467 20 0 DBADRM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H](O)CC(=O)[O-] ZINC001591019496 1021635332 /nfs/dbraw/zinc/63/53/32/1021635332.db2.gz PDCLANRJHXIJRR-GWCFXTLKSA-N -1 0 323.349 -0.212 20 0 DBADRM CN(C)c1cc(C(=O)[N-]S(C)(=O)=O)cc(-c2nn[nH]n2)c1 ZINC001591027707 1021639196 /nfs/dbraw/zinc/63/91/96/1021639196.db2.gz QGANXLXDBHNZSN-UHFFFAOYSA-N -1 0 310.339 -0.378 20 0 DBADRM CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001522011481 1021673412 /nfs/dbraw/zinc/67/34/12/1021673412.db2.gz RODCHQNDKOSVNF-PSASIEDQSA-N -1 0 311.342 -0.690 20 0 DBADRM CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C2 ZINC001522296042 1021702463 /nfs/dbraw/zinc/70/24/63/1021702463.db2.gz WCVRIOVIHFUSSU-MXWKQRLJSA-N -1 0 323.353 -0.263 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001522423645 1021707824 /nfs/dbraw/zinc/70/78/24/1021707824.db2.gz NHYGSHJNZWBSSO-VIFPVBQESA-N -1 0 323.353 -0.767 20 0 DBADRM CC(F)(F)CCC(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001522738255 1021854017 /nfs/dbraw/zinc/85/40/17/1021854017.db2.gz AKBLLAHEOZXSSV-UHFFFAOYSA-N -1 0 321.284 -0.643 20 0 DBADRM CC(C)=CC(=O)NCCCNC(=O)c1cnc([O-])n(C)c1=O ZINC001522821551 1021877146 /nfs/dbraw/zinc/87/71/46/1021877146.db2.gz DKYREWQQFKINDV-UHFFFAOYSA-N -1 0 308.338 -0.312 20 0 DBADRM CCCCC(=O)NCCCNC(=O)c1cnc([O-])n(C)c1=O ZINC001522837479 1021880272 /nfs/dbraw/zinc/88/02/72/1021880272.db2.gz WVMSKXOTWSFVPU-UHFFFAOYSA-N -1 0 310.354 -0.088 20 0 DBADRM CN(CCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)C1CC=CC1 ZINC001523668340 1022090669 /nfs/dbraw/zinc/09/06/69/1022090669.db2.gz FUDNBQRYMCKKLW-UHFFFAOYSA-N -1 0 321.337 -0.173 20 0 DBADRM CC/C(C)=C/C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001524701676 1022343356 /nfs/dbraw/zinc/34/33/56/1022343356.db2.gz MHJHPCJLTNHACN-ORZBULNSSA-N -1 0 321.337 -0.030 20 0 DBADRM Cc1cc(CC(=O)N[C@H](C)CNC(=O)c2[nH]nc(C)c2[O-])n[nH]1 ZINC001526500590 1022515259 /nfs/dbraw/zinc/51/52/59/1022515259.db2.gz QSFLPZFILFVUTO-MRVPVSSYSA-N -1 0 320.353 -0.068 20 0 DBADRM COC[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C)c1nnn[n-]1 ZINC001558340114 1023955684 /nfs/dbraw/zinc/95/56/84/1023955684.db2.gz VTWGVYFLEXWTAL-SECBINFHSA-N -1 0 317.309 -0.091 20 0 DBADRM COC[C@H](NC(=O)c1cn(-c2ccccc2)nn1)c1nnn[n-]1 ZINC001558340223 1023958231 /nfs/dbraw/zinc/95/82/31/1023958231.db2.gz YHOQJECPXXHJBQ-NSHDSACASA-N -1 0 314.309 -0.102 20 0 DBADRM COC(=O)CCCO[N-]C(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O ZINC001558574115 1023962203 /nfs/dbraw/zinc/96/22/03/1023962203.db2.gz YCETWIZTKBRULL-KCJUWKMLSA-N -1 0 302.327 -0.737 20 0 DBADRM CO[N-]C(=O)CNC(=O)[C@H](CS(C)(=O)=O)c1ccccc1 ZINC001558637090 1023967254 /nfs/dbraw/zinc/96/72/54/1023967254.db2.gz KGILCDSAXSJEJD-LLVKDONJSA-N -1 0 314.363 -0.391 20 0 DBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)C1CCS(=O)(=O)CC1 ZINC001558941097 1023976974 /nfs/dbraw/zinc/97/69/74/1023976974.db2.gz WZVWSNHBNLFPFJ-UHFFFAOYSA-N -1 0 302.356 -0.616 20 0 DBADRM C[S@](=O)(=NS(=O)(=O)[N-]CCOCCO)c1ccccc1 ZINC001561290274 1024008287 /nfs/dbraw/zinc/00/82/87/1024008287.db2.gz WXIYCRUGPYQOPL-LJQANCHMSA-N -1 0 322.408 -0.013 20 0 DBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001561982167 1024018705 /nfs/dbraw/zinc/01/87/05/1024018705.db2.gz RBAWRCNCQCMQSQ-UHFFFAOYSA-N -1 0 320.714 -0.168 20 0 DBADRM NC(=O)c1cccc(NC(=O)NCCCc2c[nH][nH]c2=O)n1 ZINC001562529612 1024019857 /nfs/dbraw/zinc/01/98/57/1024019857.db2.gz BQBUHENNOZIHSR-MRVPVSSYSA-N -1 0 304.310 -0.186 20 0 DBADRM CS(=O)(=O)Cc1cccc(NC(=O)NOCC(N)=O)c1 ZINC001562291135 1024021858 /nfs/dbraw/zinc/02/18/58/1024021858.db2.gz MICVVGKQEMVBJT-UHFFFAOYSA-N -1 0 301.324 -0.230 20 0 DBADRM CCCN(C(=O)NCC(=O)[N-]OC)[C@H]1CCS(=O)(=O)C1 ZINC001565421656 1024052988 /nfs/dbraw/zinc/05/29/88/1024052988.db2.gz ZUEKQHLCAPKACK-VIFPVBQESA-N -1 0 307.372 -0.727 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[O-] ZINC001566209363 1024147979 /nfs/dbraw/zinc/14/79/79/1024147979.db2.gz DVCKRIWNCHBNLK-RMLUDKJBSA-N -1 0 321.337 -0.126 20 0 DBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[O-] ZINC001566209362 1024151689 /nfs/dbraw/zinc/15/16/89/1024151689.db2.gz DVCKRIWNCHBNLK-CLAHSXSESA-N -1 0 321.337 -0.126 20 0 DBADRM CN(CCCNC(=O)[C@@H]1CCNC(=O)CC1)Cc1n[nH]c(=O)[n-]1 ZINC001566477141 1024196135 /nfs/dbraw/zinc/19/61/35/1024196135.db2.gz LRIWLNSIOYGCNC-JTQLQIEISA-N -1 0 324.385 -0.635 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)[N-]OCC(N)=O ZINC001566980834 1024449051 /nfs/dbraw/zinc/44/90/51/1024449051.db2.gz REVRHUZWLNPYLE-RKDXNWHRSA-N -1 0 317.342 -0.551 20 0 DBADRM NS(=O)(=O)c1cc(NC(=O)[C@H]2CCCN2C=O)ccc1[O-] ZINC001567089469 1024515139 /nfs/dbraw/zinc/51/51/39/1024515139.db2.gz HOFTXEKWSBHZEF-SECBINFHSA-N -1 0 313.335 -0.401 20 0 DBADRM COc1c(F)nccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001567528145 1024771680 /nfs/dbraw/zinc/77/16/80/1024771680.db2.gz DWQSATZGGOFPTP-UHFFFAOYSA-N -1 0 319.314 -0.575 20 0 DBADRM CCN(CCNCc1ncccn1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001568793927 1025018507 /nfs/dbraw/zinc/01/85/07/1025018507.db2.gz FSUSDSYVARXORB-UHFFFAOYSA-N -1 0 321.341 -0.882 20 0 DBADRM Cc1cnc(C(=O)NCC=CCNCc2n[nH]c(=O)[n-]2)cn1 ZINC001568810930 1025021264 /nfs/dbraw/zinc/02/12/64/1025021264.db2.gz SFMLDLBGOIIECY-IHWYPQMZSA-N -1 0 303.326 -0.315 20 0 DBADRM C[C@@H](C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1)n1cccn1 ZINC001568820349 1025029015 /nfs/dbraw/zinc/02/90/15/1025029015.db2.gz XCLSSNBHWDAORC-PBKGFPTLSA-N -1 0 305.342 -0.270 20 0 DBADRM CC(C)(CO)O[N-]C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001569243238 1025182272 /nfs/dbraw/zinc/18/22/72/1025182272.db2.gz HJEPLLZIWKBKJW-WDEREUQCSA-N -1 0 309.322 -0.224 20 0 DBADRM CC(C)(CO)O[N-]C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001569243235 1025182489 /nfs/dbraw/zinc/18/24/89/1025182489.db2.gz HJEPLLZIWKBKJW-GHMZBOCLSA-N -1 0 309.322 -0.224 20 0 DBADRM C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)[N-]OC(C)(C)CO ZINC001569244058 1025183028 /nfs/dbraw/zinc/18/30/28/1025183028.db2.gz YWASQUCDUNIOSE-KOLCDFICSA-N -1 0 302.371 -0.139 20 0 DBADRM CC(=O)NC(=Cc1cccs1)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC001569827150 1025370025 /nfs/dbraw/zinc/37/00/25/1025370025.db2.gz CALYREJDELXJRX-YVMONPNESA-N -1 0 309.307 -0.002 20 0 DBADRM CS(=O)(=O)CCCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001570506524 1025640752 /nfs/dbraw/zinc/64/07/52/1025640752.db2.gz MBSBCOKPPJNBMM-UHFFFAOYSA-N -1 0 312.351 -0.423 20 0 DBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CCC[C@]1(C)NC(=O)NC1=O ZINC001570741441 1025726896 /nfs/dbraw/zinc/72/68/96/1025726896.db2.gz KLEUAHLAYPOCSU-LBPRGKRZSA-N -1 0 311.298 -0.910 20 0 DBADRM Cc1nn(C)cc1S(=O)(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001571079486 1025814441 /nfs/dbraw/zinc/81/44/41/1025814441.db2.gz GGGIPWOJBIRUMB-NSHDSACASA-N -1 0 303.340 -0.502 20 0 DBADRM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCc2nncn2C2CC2)C1 ZINC001571072060 1025808321 /nfs/dbraw/zinc/80/83/21/1025808321.db2.gz JJQNFGDMXAXPMU-OTSSQURYSA-N -1 0 300.340 -0.104 20 0 DBADRM CC[C@](COC)(NC(=O)COCc1nncn1C)C(=O)[O-] ZINC001571072003 1025808682 /nfs/dbraw/zinc/80/86/82/1025808682.db2.gz HHTPJKKLELVTEQ-GFCCVEGCSA-N -1 0 300.315 -0.672 20 0 DBADRM C[C@@]1(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])CCNC(=O)C1 ZINC001571070322 1025808944 /nfs/dbraw/zinc/80/89/44/1025808944.db2.gz YRZCUIJZNASOSM-AMIZOPFISA-N -1 0 300.311 -0.765 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)N[C@H]2CCC3(C2)OCCO3)CCO1 ZINC001571069457 1025809735 /nfs/dbraw/zinc/80/97/35/1025809735.db2.gz KWCHSFSRGFOXJP-VHSXEESVSA-N -1 0 300.311 -0.223 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CC[C@@H](O)[C@H](CO)C2)C1 ZINC001571074331 1025810431 /nfs/dbraw/zinc/81/04/31/1025810431.db2.gz GXEDVWSLDVLXDT-NNYUYHANSA-N -1 0 301.339 -0.542 20 0 DBADRM NS(=O)(=O)CCCC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001571073855 1025810974 /nfs/dbraw/zinc/81/09/74/1025810974.db2.gz ADYPNLDUCBMOHZ-UHFFFAOYSA-N -1 0 301.324 -0.284 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)CNS(=O)(=O)c1cccnc1 ZINC001571074664 1025811352 /nfs/dbraw/zinc/81/13/52/1025811352.db2.gz MBCCFIREOIEADR-MRVPVSSYSA-N -1 0 301.324 -0.661 20 0 DBADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NC[C@H](O)[C@H]1CCCO1 ZINC001571074353 1025811362 /nfs/dbraw/zinc/81/13/62/1025811362.db2.gz HQKBTSNRHRMDSZ-WHOHXGKFSA-N -1 0 301.339 -0.088 20 0 DBADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CC[C@@H](O)[C@@H](CO)C2)C1 ZINC001571074330 1025811546 /nfs/dbraw/zinc/81/15/46/1025811546.db2.gz GXEDVWSLDVLXDT-IRCOFANPSA-N -1 0 301.339 -0.542 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001571075286 1025812109 /nfs/dbraw/zinc/81/21/09/1025812109.db2.gz UIGPSQFFEVWCFR-XPUUQOCRSA-N -1 0 301.276 -0.229 20 0 DBADRM Cc1ccc(S(=O)(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])o1 ZINC001571077001 1025812763 /nfs/dbraw/zinc/81/27/63/1025812763.db2.gz RDHZFEJWZMBWAT-QMMMGPOBSA-N -1 0 302.308 -0.496 20 0 DBADRM O=C([O-])c1ccc(CC(=O)N2CCN3C(=O)N=NC3C2)cn1 ZINC001571079054 1025813159 /nfs/dbraw/zinc/81/31/59/1025813159.db2.gz ARJQWQLJILCSLB-UHFFFAOYSA-N -1 0 303.278 -0.338 20 0 DBADRM CCn1cc(S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cn1 ZINC001571079277 1025814341 /nfs/dbraw/zinc/81/43/41/1025814341.db2.gz CQVPELVXQHVWBP-PSASIEDQSA-N -1 0 303.340 -0.329 20 0 DBADRM Cn1cc(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC001571080240 1025814643 /nfs/dbraw/zinc/81/46/43/1025814643.db2.gz SRWHGPBXOBBVIU-LURJTMIESA-N -1 0 303.221 -0.580 20 0 DBADRM COC(=O)COCC(=O)N(C)[C@H](COC1CCC1)C(=O)[O-] ZINC001571079328 1025814664 /nfs/dbraw/zinc/81/46/64/1025814664.db2.gz DKUGPDZBMSFBGM-SNVBAGLBSA-N -1 0 303.311 -0.343 20 0 DBADRM NC(=O)C12CCC(CC1)N2S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001571079297 1025814793 /nfs/dbraw/zinc/81/47/93/1025814793.db2.gz GJLJUWSUZJKBDU-UHFFFAOYSA-N -1 0 302.352 -0.194 20 0 DBADRM O=C([O-])c1cc(S(=O)(=O)NCC2CCC(O)CC2)n[nH]1 ZINC001571080359 1025814925 /nfs/dbraw/zinc/81/49/25/1025814925.db2.gz QTIOADYUNYRXCN-UHFFFAOYSA-N -1 0 303.340 -0.063 20 0 DBADRM CS(=O)(=O)NC[C@H]1CCN(Cc2cc(C(=O)[O-])no2)C1 ZINC001571079763 1025815539 /nfs/dbraw/zinc/81/55/39/1025815539.db2.gz IHQVKRSXECVVTI-MRVPVSSYSA-N -1 0 303.340 -0.256 20 0 DBADRM Nc1c(C(=O)N2CC(O)(C(=O)[O-])C2)cnn1-c1ccccn1 ZINC001571079961 1025815643 /nfs/dbraw/zinc/81/56/43/1025815643.db2.gz QPNHXGVWGXWYIL-UHFFFAOYSA-N -1 0 303.278 -0.879 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001571080383 1025815670 /nfs/dbraw/zinc/81/56/70/1025815670.db2.gz WAOAUGWNVJZLPT-BBBLOLIVSA-N -1 0 302.352 -0.468 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cnn(CC2CC2)c1 ZINC001571084356 1025816869 /nfs/dbraw/zinc/81/68/69/1025816869.db2.gz ARTPRHYFSNLGGC-LLVKDONJSA-N -1 0 304.310 -0.232 20 0 DBADRM O=C([O-])C1=NO[C@@]2(CCN(C(=O)NCc3ncccn3)C2)C1 ZINC001571084334 1025817573 /nfs/dbraw/zinc/81/75/73/1025817573.db2.gz JWVWCOGDFMDNPY-ZDUSSCGKSA-N -1 0 305.294 -0.008 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)NCc2ccc(C(=O)[O-])nc2)nn1 ZINC001571085334 1025818469 /nfs/dbraw/zinc/81/84/69/1025818469.db2.gz ZMPDQBSWOUGGEH-MRVPVSSYSA-N -1 0 305.294 -0.259 20 0 DBADRM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC001571085609 1025818480 /nfs/dbraw/zinc/81/84/80/1025818480.db2.gz RFYFMZILSZYIKH-RKDXNWHRSA-N -1 0 304.324 -0.849 20 0 DBADRM O=C([O-])[C@@H](Cc1ccccc1O)NC(=O)CCn1cnnn1 ZINC001571084815 1025818818 /nfs/dbraw/zinc/81/88/18/1025818818.db2.gz OPYNRGUVWYDYRO-SNVBAGLBSA-N -1 0 305.294 -0.419 20 0 DBADRM Cc1nnc([C@@H]2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)C2)[nH]1 ZINC001571084816 1025819192 /nfs/dbraw/zinc/81/91/92/1025819192.db2.gz OQJSSARSMGAPJJ-MRVPVSSYSA-N -1 0 305.298 -0.581 20 0 DBADRM CCO[C@@H]1COC[C@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001571084884 1025819623 /nfs/dbraw/zinc/81/96/23/1025819623.db2.gz QEYDZMDBGGCXMV-HTQZYQBOSA-N -1 0 305.312 -0.810 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NCCC2CS(=O)(=O)C2)O[C@H]1C(=O)[O-] ZINC001571088405 1025822773 /nfs/dbraw/zinc/82/27/73/1025822773.db2.gz YETKDMNDOUAQAA-SZEHBUNVSA-N -1 0 305.352 -0.585 20 0 DBADRM CCS(=O)(=O)N[C@@H](C)C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001571086265 1025820689 /nfs/dbraw/zinc/82/06/89/1025820689.db2.gz IQUPFYSUXAGACL-LURJTMIESA-N -1 0 304.328 -0.615 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001571086915 1025820851 /nfs/dbraw/zinc/82/08/51/1025820851.db2.gz YSQCXWCWYDOBHB-XBWDGYHZSA-N -1 0 304.368 -0.364 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1ccsc1 ZINC001571086335 1025821232 /nfs/dbraw/zinc/82/12/32/1025821232.db2.gz KIZJCSMVRWJFGC-HTQZYQBOSA-N -1 0 304.349 -0.318 20 0 DBADRM CCN(C(=O)NC[C@H]1C[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001571086903 1025821623 /nfs/dbraw/zinc/82/16/23/1025821623.db2.gz YFUCBJJLILDLCH-KXUCPTDWSA-N -1 0 304.368 -0.074 20 0 DBADRM COC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CCO1 ZINC001571087949 1025822361 /nfs/dbraw/zinc/82/23/61/1025822361.db2.gz QCOQRCVFUSNGMS-ZETCQYMHSA-N -1 0 305.312 -0.856 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@@H]1CCC2(COC2)O1 ZINC001571087656 1025822658 /nfs/dbraw/zinc/82/26/58/1025822658.db2.gz ITQWAOQWTHSQRI-VHSXEESVSA-N -1 0 305.352 -0.882 20 0 DBADRM O=C([O-])C[C@@]1(NC(=O)C2CCS(=O)(=O)CC2)CCOC1 ZINC001571087635 1025822926 /nfs/dbraw/zinc/82/29/26/1025822926.db2.gz HPXQQRFLWUQDKY-LBPRGKRZSA-N -1 0 305.352 -0.439 20 0 DBADRM CO[C@@]1(C(=O)N2CC[C@H](NC(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001571091210 1025823576 /nfs/dbraw/zinc/82/35/76/1025823576.db2.gz BHYOPARIJOLVBR-KWQFWETISA-N -1 0 306.340 -0.941 20 0 DBADRM O=C([O-])[C@H](CC1OCCO1)NC(=O)c1nccn2ccnc12 ZINC001571091781 1025824232 /nfs/dbraw/zinc/82/42/32/1025824232.db2.gz JJWYKYJELLSZMI-QMMMGPOBSA-N -1 0 306.278 -0.325 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc2n[nH]nc2n1)C(=O)[O-] ZINC001571091698 1025824448 /nfs/dbraw/zinc/82/44/48/1025824448.db2.gz IOCNDCGXRATQBV-WDSKDSINSA-N -1 0 306.282 -0.940 20 0 DBADRM Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)[nH]n1 ZINC001571092146 1025824770 /nfs/dbraw/zinc/82/47/70/1025824770.db2.gz OWYSIIVIRRXXQL-ZYUZMQFOSA-N -1 0 306.322 -0.184 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)c1ccc(C(=O)[O-])o1)C(N)=O ZINC001571092579 1025825060 /nfs/dbraw/zinc/82/50/60/1025825060.db2.gz UBOWQOMWZZFNCV-CYBMUJFWSA-N -1 0 306.278 -0.152 20 0 DBADRM Cc1c[nH]nc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001571091769 1025825130 /nfs/dbraw/zinc/82/51/30/1025825130.db2.gz JJDYUVGYEHKLMB-NXEZZACHSA-N -1 0 306.322 -0.277 20 0 DBADRM C[C@H]1CCN(S(=O)(=O)N2CCN(C)CC2)[C@H](C(=O)[O-])C1 ZINC001571092147 1025825700 /nfs/dbraw/zinc/82/57/00/1025825700.db2.gz LXHCCIPQXHAYSX-QWRGUYRKSA-N -1 0 305.400 -0.336 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])cn1 ZINC001571095618 1025826746 /nfs/dbraw/zinc/82/67/46/1025826746.db2.gz APPDEHRPGCLLDA-KOLCDFICSA-N -1 0 307.306 -0.067 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001571096047 1025827052 /nfs/dbraw/zinc/82/70/52/1025827052.db2.gz IUSOYEOKWMLCFC-CYBMUJFWSA-N -1 0 307.262 -0.926 20 0 DBADRM NC(=O)c1ccc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])cn1 ZINC001571095617 1025827195 /nfs/dbraw/zinc/82/71/95/1025827195.db2.gz APPDEHRPGCLLDA-GXSJLCMTSA-N -1 0 307.306 -0.067 20 0 DBADRM Cn1cc(C[C@@H](CO)NC(=O)Cn2ccc(C(=O)[O-])n2)cn1 ZINC001571095764 1025827669 /nfs/dbraw/zinc/82/76/69/1025827669.db2.gz DIQYYKNIWQLHSO-JTQLQIEISA-N -1 0 307.310 -0.965 20 0 DBADRM Cc1nc(CS(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])no1 ZINC001571096928 1025828233 /nfs/dbraw/zinc/82/82/33/1025828233.db2.gz QWYDRQNVGCTOSN-SSDOTTSWSA-N -1 0 307.353 -0.290 20 0 DBADRM Cn1c(CO)nc2cc(C(=O)NCC[C@H](O)C(=O)[O-])ccc21 ZINC001571096336 1025828313 /nfs/dbraw/zinc/82/83/13/1025828313.db2.gz MENFOOBYKZKWNC-NSHDSACASA-N -1 0 307.306 -0.369 20 0 DBADRM C[C@@H](O)[C@H](NS(=O)(=O)C[C@H]1CCC2(CCC2)O1)C(=O)[O-] ZINC001571096581 1025828851 /nfs/dbraw/zinc/82/88/51/1025828851.db2.gz NXHXZVDATUGXRY-BBBLOLIVSA-N -1 0 307.368 -0.159 20 0 DBADRM CN(C)[C@@H](C(=O)Nc1n[nH]c(CC(=O)[O-])n1)c1cncn1C ZINC001571096690 1025829431 /nfs/dbraw/zinc/82/94/31/1025829431.db2.gz RJZHIHCKXCEEHL-SNVBAGLBSA-N -1 0 307.314 -0.593 20 0 DBADRM COc1c(C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])cnn1C ZINC001571096604 1025829522 /nfs/dbraw/zinc/82/95/22/1025829522.db2.gz PBZIQTALJOCVBI-CYBMUJFWSA-N -1 0 307.310 -0.102 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)c2c[nH]cc(C)c2=O)C[C@H]1C(=O)[O-] ZINC001571098083 1025830006 /nfs/dbraw/zinc/83/00/06/1025830006.db2.gz LUDGXLVSCMVKMY-ZJUUUORDSA-N -1 0 308.290 -0.371 20 0 DBADRM O=C([O-])C1(O)CN(C(=O)c2cc3c([nH]c2=O)CCC[C@@H]3O)C1 ZINC001571098160 1025830027 /nfs/dbraw/zinc/83/00/27/1025830027.db2.gz NJKJRJHHNWCWAH-JTQLQIEISA-N -1 0 308.290 -0.572 20 0 DBADRM COCC[C@@H](NC(=O)c1cc2c(=O)[nH]c(C)cn2n1)C(=O)[O-] ZINC001571098179 1025830124 /nfs/dbraw/zinc/83/01/24/1025830124.db2.gz OARIGQNGURWTKS-MRVPVSSYSA-N -1 0 308.294 -0.449 20 0 DBADRM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC[C@H](F)C(=O)[O-] ZINC001571098405 1025830192 /nfs/dbraw/zinc/83/01/92/1025830192.db2.gz SCFQTZMHWFESFF-YUMQZZPRSA-N -1 0 308.306 -0.199 20 0 DBADRM COC(=O)[C@H]1C[C@@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC001571097878 1025830509 /nfs/dbraw/zinc/83/05/09/1025830509.db2.gz GSYTWXVKJUUJFC-OCAPTIKFSA-N -1 0 308.294 -0.441 20 0 DBADRM Cn1c(=O)cc(N2CCC3(CC(C(=O)[O-])=NO3)CC2)[nH]c1=O ZINC001571098776 1025830622 /nfs/dbraw/zinc/83/06/22/1025830622.db2.gz YYQVBKVXANNSKH-UHFFFAOYSA-N -1 0 308.294 -0.314 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@H](F)C(=O)[O-] ZINC001571098402 1025830717 /nfs/dbraw/zinc/83/07/17/1025830717.db2.gz SCFQTZMHWFESFF-SFYZADRCSA-N -1 0 308.306 -0.199 20 0 DBADRM NC(=O)C1(O)CCN(C(=O)Nc2ccc(C(=O)[O-])cn2)CC1 ZINC001571098806 1025830866 /nfs/dbraw/zinc/83/08/66/1025830866.db2.gz ZTTZSZGXIOKHLK-UHFFFAOYSA-N -1 0 308.294 -0.376 20 0 DBADRM O=C([O-])N[C@H]1CCN(C(=O)CNC(=O)c2ncccc2O)C1 ZINC001571098129 1025830961 /nfs/dbraw/zinc/83/09/61/1025830961.db2.gz MTJHGDYUWCIOIE-QMMMGPOBSA-N -1 0 308.294 -0.615 20 0 DBADRM CNC(=O)c1ccc(NC(=O)N2CCN(C(=O)[O-])CC2)nn1 ZINC001571098448 1025831079 /nfs/dbraw/zinc/83/10/79/1025831079.db2.gz TYHNPJIOIUUOOA-UHFFFAOYSA-N -1 0 308.298 -0.336 20 0 DBADRM CNc1cnc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)cn1 ZINC001571098224 1025831373 /nfs/dbraw/zinc/83/13/73/1025831373.db2.gz OPWYLGBNBOISAS-YUMQZZPRSA-N -1 0 308.294 -0.536 20 0 DBADRM COC(=O)[C@H](CCF)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571100903 1025831885 /nfs/dbraw/zinc/83/18/85/1025831885.db2.gz QWEKVZDSBVEDOD-YFKPBYRVSA-N -1 0 309.275 -0.713 20 0 DBADRM CO[C@H]1CCN(C(=O)C2=C3CCCN=C3NN2)[C@@H](C(=O)[O-])C1 ZINC001571101565 1025832534 /nfs/dbraw/zinc/83/25/34/1025832534.db2.gz CMYWVXMGTPJZHU-WCBMZHEXSA-N -1 0 308.338 -0.369 20 0 DBADRM CCCNC(=O)[C@H](C)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001571100576 1025832591 /nfs/dbraw/zinc/83/25/91/1025832591.db2.gz LEPGWAHSONMTPE-VIFPVBQESA-N -1 0 309.322 -0.423 20 0 DBADRM COC(=O)C1(CS(=O)(=O)N[C@](C)(CO)C(=O)[O-])CCC1 ZINC001571101522 1025832685 /nfs/dbraw/zinc/83/26/85/1025832685.db2.gz CZOIPKJMTQMXQH-SNVBAGLBSA-N -1 0 309.340 -0.915 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N2CC[C@H](O)[C@@H](CO)C2)c1 ZINC001571101144 1025832749 /nfs/dbraw/zinc/83/27/49/1025832749.db2.gz VOTGLZHOWUCHJL-YPMHNXCESA-N -1 0 309.318 -0.035 20 0 DBADRM O=C([O-])COc1cccc(C(=O)N2CC[C@H](O)[C@H](CO)C2)c1 ZINC001571101140 1025833157 /nfs/dbraw/zinc/83/31/57/1025833157.db2.gz VOTGLZHOWUCHJL-AAEUAGOBSA-N -1 0 309.318 -0.035 20 0 DBADRM NC(=O)Cn1cc(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)cn1 ZINC001571106498 1025835824 /nfs/dbraw/zinc/83/58/24/1025835824.db2.gz QKSMPYILFJRNTQ-VHSXEESVSA-N -1 0 310.310 -0.281 20 0 DBADRM O=C([O-])[C@]1(F)CCN(C(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001571105942 1025835944 /nfs/dbraw/zinc/83/59/44/1025835944.db2.gz ANFGDRFQZUFFQP-UFBFGSQYSA-N -1 0 310.272 -0.023 20 0 DBADRM Cc1sc(S(N)(=O)=O)cc1C(=O)NC[C@H](F)C(=O)[O-] ZINC001571106070 1025836052 /nfs/dbraw/zinc/83/60/52/1025836052.db2.gz HFTRQJWXDKFQIC-LURJTMIESA-N -1 0 310.328 -0.144 20 0 DBADRM O=C([O-])c1c(NC(=O)NC[C@]2(O)CCOC2)nc2n1CCC2 ZINC001571106639 1025836065 /nfs/dbraw/zinc/83/60/65/1025836065.db2.gz TVGQTAVVFCWJPU-CYBMUJFWSA-N -1 0 310.310 -0.200 20 0 DBADRM C[C@H](NC(=O)[O-])C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001571105844 1025836456 /nfs/dbraw/zinc/83/64/56/1025836456.db2.gz BEQXOXTUZULPEX-ZETCQYMHSA-N -1 0 310.314 -0.803 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cnns2)CC1 ZINC001571106159 1025836514 /nfs/dbraw/zinc/83/65/14/1025836514.db2.gz IVDYPMCNLREMNA-YUMQZZPRSA-N -1 0 310.335 -0.457 20 0 DBADRM COc1c(C(=O)[O-])ncnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001571106690 1025837384 /nfs/dbraw/zinc/83/73/84/1025837384.db2.gz UUOBQMFCDNLGQR-VIFPVBQESA-N -1 0 310.310 -0.475 20 0 DBADRM CNC(=O)N[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])n(C)n2)C1 ZINC001571107030 1025837582 /nfs/dbraw/zinc/83/75/82/1025837582.db2.gz YKTYURKSDPJQCR-ZETCQYMHSA-N -1 0 310.314 -0.347 20 0 DBADRM CNC(=O)N[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])n(C)n2)C1 ZINC001571107028 1025838246 /nfs/dbraw/zinc/83/82/46/1025838246.db2.gz YKTYURKSDPJQCR-SSDOTTSWSA-N -1 0 310.314 -0.347 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2cc(C)n[nH]2)C[C@H]1C(=O)[O-] ZINC001571107117 1025838336 /nfs/dbraw/zinc/83/83/36/1025838336.db2.gz ZTGYDIJWJCEOJZ-NXEZZACHSA-N -1 0 310.310 -0.267 20 0 DBADRM CCOC(=O)C[C@@H](O)C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001571108670 1025838775 /nfs/dbraw/zinc/83/87/75/1025838775.db2.gz ZBGUXFLVLGOPKA-SSDOTTSWSA-N -1 0 311.294 -0.220 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Cn2ccc(C(=O)[O-])n2)C[C@@H](C)O1 ZINC001571108645 1025838858 /nfs/dbraw/zinc/83/88/58/1025838858.db2.gz YRHSIGIFYYXHPM-SCZZXKLOSA-N -1 0 311.294 -0.630 20 0 DBADRM CC(C)n1nnc(NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)n1 ZINC001571111932 1025839351 /nfs/dbraw/zinc/83/93/51/1025839351.db2.gz HJLQIHJQGAYZAZ-VIFPVBQESA-N -1 0 312.330 -0.057 20 0 DBADRM CCOC(=O)CCS(=O)(=O)N[C@](C)(COC)CC(=O)[O-] ZINC001571111310 1025839997 /nfs/dbraw/zinc/83/99/97/1025839997.db2.gz JNQVNKSVCCPRNF-NSHDSACASA-N -1 0 311.356 -0.261 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(Cc2ncnn2CCF)C1 ZINC001571111203 1025840098 /nfs/dbraw/zinc/84/00/98/1025840098.db2.gz GRJCRDYRDDJCLB-VHSXEESVSA-N -1 0 311.317 -0.731 20 0 DBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001571111995 1025840247 /nfs/dbraw/zinc/84/02/47/1025840247.db2.gz VHHCMPDBFYDBDX-AXFHLTTASA-N -1 0 311.338 -0.907 20 0 DBADRM CO[C@@H]1COCC[C@@H]1CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001571110968 1025840305 /nfs/dbraw/zinc/84/03/05/1025840305.db2.gz ASWCFPIHGMDHSU-ADEWGFFLSA-N -1 0 311.338 -0.037 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@H](CO)[C@H](O)c1cccnc1 ZINC001571111015 1025840577 /nfs/dbraw/zinc/84/05/77/1025840577.db2.gz CKONYPVQMRCINE-GRYCIOLGSA-N -1 0 311.338 -0.116 20 0 DBADRM C[C@@](CO)(NC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)[O-] ZINC001571111940 1025840591 /nfs/dbraw/zinc/84/05/91/1025840591.db2.gz HUSUNXUSZPFJNT-AWEZNQCLSA-N -1 0 312.297 -0.564 20 0 DBADRM COC[C@H](CNC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1)OC ZINC001571112049 1025840633 /nfs/dbraw/zinc/84/06/33/1025840633.db2.gz HZLDSTXPZYYULF-VIFPVBQESA-N -1 0 312.326 -0.122 20 0 DBADRM CC(C)(C)n1nnc(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)n1 ZINC001571110991 1025840729 /nfs/dbraw/zinc/84/07/29/1025840729.db2.gz BKLNWZSGYWJSJE-DTWKUNHWSA-N -1 0 311.342 -0.105 20 0 DBADRM COc1ccc(NC(=O)NCC(=O)NCC(=O)[O-])c(OC)n1 ZINC001571113238 1025841439 /nfs/dbraw/zinc/84/14/39/1025841439.db2.gz XXKURVPVASQYLE-UHFFFAOYSA-N -1 0 312.282 -0.579 20 0 DBADRM COCCn1cc(C(=O)NCC[C@H](O)C(=O)[O-])c(=O)cc1C ZINC001571112335 1025841629 /nfs/dbraw/zinc/84/16/29/1025841629.db2.gz LDHIVWFCHCAWHW-NSHDSACASA-N -1 0 312.322 -0.631 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)O1 ZINC001571112731 1025842484 /nfs/dbraw/zinc/84/24/84/1025842484.db2.gz QXNHYZADQOYZQI-CHWFTXMASA-N -1 0 312.322 -0.875 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)N[C@@H]2CCOC[C@H]2O)cn1 ZINC001571113212 1025842504 /nfs/dbraw/zinc/84/25/04/1025842504.db2.gz XFONDQQKFRTXAW-NXEZZACHSA-N -1 0 312.326 -0.026 20 0 DBADRM COC(=O)[C@@H](CNC(=O)c1cc(C(=O)[O-])no1)[C@@H]1CCOC1 ZINC001571112833 1025842585 /nfs/dbraw/zinc/84/25/85/1025842585.db2.gz SVWSTZOVAYCIGW-SFYZADRCSA-N -1 0 312.278 -0.072 20 0 DBADRM CCC1(Cn2cc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)nn2)COC1 ZINC001571112564 1025842602 /nfs/dbraw/zinc/84/26/02/1025842602.db2.gz OCFVXGLSKRAIBU-SCZZXKLOSA-N -1 0 312.326 -0.732 20 0 DBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@H]1CCC(=O)N1C)C(=O)[O-] ZINC001571116743 1025842945 /nfs/dbraw/zinc/84/29/45/1025842945.db2.gz MKKYRYBEYQVEQB-VHSXEESVSA-N -1 0 313.354 -0.661 20 0 DBADRM CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NCC(=O)[O-])=NO2 ZINC001571118510 1025842993 /nfs/dbraw/zinc/84/29/93/1025842993.db2.gz DPLYXWUJNXKNPA-UHFFFAOYSA-N -1 0 313.310 -0.047 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1CCO[C@H]1C1CC1)C(=O)[O-] ZINC001571116578 1025843235 /nfs/dbraw/zinc/84/32/35/1025843235.db2.gz JNHUNACDXIMOBL-HLFFCZDVSA-N -1 0 313.354 -0.169 20 0 DBADRM CCn1cc(CNS(=O)(=O)c2cc(C(=O)[O-])cn2C)nn1 ZINC001571118831 1025844138 /nfs/dbraw/zinc/84/41/38/1025844138.db2.gz IRQAABGOFQINHI-UHFFFAOYSA-N -1 0 313.339 -0.187 20 0 DBADRM O=C(CN1CCC(=O)NC1=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001571118501 1025844402 /nfs/dbraw/zinc/84/44/02/1025844402.db2.gz DMLOLWPCLPYXGT-DTWKUNHWSA-N -1 0 313.310 -0.933 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NCC1(C(=O)[O-])CC1 ZINC001571116927 1025844451 /nfs/dbraw/zinc/84/44/51/1025844451.db2.gz OYFALGZXAFZHIU-SECBINFHSA-N -1 0 313.354 -0.626 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2csc(CO)n2)C[C@@H]1C(=O)[O-] ZINC001571119518 1025844843 /nfs/dbraw/zinc/84/48/43/1025844843.db2.gz GLZNKRZREMGKBD-NKWVEPMBSA-N -1 0 314.319 -0.419 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2csc(CO)n2)C[C@H]1C(=O)[O-] ZINC001571119520 1025844943 /nfs/dbraw/zinc/84/49/43/1025844943.db2.gz GLZNKRZREMGKBD-RNFRBKRXSA-N -1 0 314.319 -0.419 20 0 DBADRM C[S@](=O)c1ccc(NC(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC001571118912 1025845845 /nfs/dbraw/zinc/84/58/45/1025845845.db2.gz MEVCGBMDESBHGR-NRFANRHFSA-N -1 0 313.335 -0.254 20 0 DBADRM O=C([O-])c1ccoc1S(=O)(=O)N1CCN2C(=O)N=NC2C1 ZINC001571120626 1025845998 /nfs/dbraw/zinc/84/59/98/1025845998.db2.gz ZNJBUHPSPWCJEE-UHFFFAOYSA-N -1 0 314.279 -0.521 20 0 DBADRM CCNC(=O)CCCC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001571122134 1025846243 /nfs/dbraw/zinc/84/62/43/1025846243.db2.gz CUORGIOPWQGDIR-UWVGGRQHSA-N -1 0 314.338 -0.375 20 0 DBADRM CO[C@H]1CN(S(=O)(=O)N=S(C)(C)=O)[C@](C)(C(=O)[O-])C1 ZINC001571123775 1025847258 /nfs/dbraw/zinc/84/72/58/1025847258.db2.gz WEOQIXSUJPMXLK-APPZFPTMSA-N -1 0 314.385 -0.477 20 0 DBADRM C[C@@H](Sc1nncn1C)C(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001571123282 1025847453 /nfs/dbraw/zinc/84/74/53/1025847453.db2.gz NJCGTTQTMOOOGQ-OQNPIJIBSA-N -1 0 314.367 -0.362 20 0 DBADRM CC[C@@H](O)Cn1cc(C(=O)N[C@](C)(COC)CC(=O)[O-])nn1 ZINC001571123882 1025847521 /nfs/dbraw/zinc/84/75/21/1025847521.db2.gz VFJZOILUXGZPQO-RNCFNFMXSA-N -1 0 314.342 -0.341 20 0 DBADRM C[S@](=N)(=O)N1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 ZINC001571125156 1025848704 /nfs/dbraw/zinc/84/87/04/1025848704.db2.gz DNRPLMLJSRZSRT-OAQYLSRUSA-N -1 0 315.355 -0.683 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cnc1N ZINC001571125845 1025849170 /nfs/dbraw/zinc/84/91/70/1025849170.db2.gz MZMPCGWICNCZEB-SECBINFHSA-N -1 0 315.351 -0.164 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@@H]1CCC[C@H](O)C1)C(=O)[O-] ZINC001571126800 1025849316 /nfs/dbraw/zinc/84/93/16/1025849316.db2.gz ZZCZNSFJSIQAOI-MMWGEVLESA-N -1 0 315.370 -0.186 20 0 DBADRM O=C([O-])[C@@H](CC(F)F)NS(=O)(=O)CCN1CCOC1=O ZINC001571125641 1025849892 /nfs/dbraw/zinc/84/98/92/1025849892.db2.gz HBFUEUVLGVHIRQ-ZCFIWIBFSA-N -1 0 316.282 -0.534 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC001571127685 1025850968 /nfs/dbraw/zinc/85/09/68/1025850968.db2.gz CCNDTOVBDWOUGF-BDAKNGLRSA-N -1 0 316.335 -0.431 20 0 DBADRM CCc1cc(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)no1 ZINC001571127705 1025851172 /nfs/dbraw/zinc/85/11/72/1025851172.db2.gz CGBJRYDANVCHQP-JOYOIKCWSA-N -1 0 316.335 -0.145 20 0 DBADRM COC(=O)[C@@H]1[C@H](CNC(=O)Cn2cc(C(=O)[O-])cn2)C1(F)F ZINC001571131037 1025851829 /nfs/dbraw/zinc/85/18/29/1025851829.db2.gz PYYDWOIJJHMNKR-CBAPKCEASA-N -1 0 317.248 -0.248 20 0 DBADRM O=C([O-])c1cn(CC(=O)Nc2cccc3c2NC(=O)CO3)nn1 ZINC001571131129 1025851900 /nfs/dbraw/zinc/85/19/00/1025851900.db2.gz UDFWUACPVVNJPS-UHFFFAOYSA-N -1 0 317.261 -0.054 20 0 DBADRM O=C(CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)NCc1ccco1 ZINC001571127636 1025852017 /nfs/dbraw/zinc/85/20/17/1025852017.db2.gz ALCVKOWIHQLURB-WAAGHKOSSA-N -1 0 316.335 -0.322 20 0 DBADRM CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1=O ZINC001571131843 1025852666 /nfs/dbraw/zinc/85/26/66/1025852666.db2.gz VMJJLMPRUZTLEJ-SSDOTTSWSA-N -1 0 316.339 -0.603 20 0 DBADRM CCO[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC001571131915 1025852755 /nfs/dbraw/zinc/85/27/55/1025852755.db2.gz YNZJAZSZXSEANQ-UKKRHICBSA-N -1 0 316.354 -0.478 20 0 DBADRM C[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])nn2C)CCS1(=O)=O ZINC001571131902 1025852921 /nfs/dbraw/zinc/85/29/21/1025852921.db2.gz YDYUPAQWNLIEPX-SSDOTTSWSA-N -1 0 316.339 -0.231 20 0 DBADRM Cc1cc(C(=O)[O-])nc(NCCN(C)CCS(C)(=O)=O)n1 ZINC001571131584 1025852989 /nfs/dbraw/zinc/85/29/89/1025852989.db2.gz LRNWEPVJPZANMY-UHFFFAOYSA-N -1 0 316.383 -0.128 20 0 DBADRM CNC(=O)[C@@]1(C)CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001571131409 1025853037 /nfs/dbraw/zinc/85/30/37/1025853037.db2.gz FROZWNSGUNYTJV-NSHDSACASA-N -1 0 316.339 -0.745 20 0 DBADRM CO[C@@H]1COCC[C@@H]1N(C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001571131694 1025853078 /nfs/dbraw/zinc/85/30/78/1025853078.db2.gz PTIRTNZMTYBUFJ-WRWGMCAJSA-N -1 0 316.354 -0.079 20 0 DBADRM C[C@H]1CN(C(=O)Nc2nn(C)cc2C(=O)[O-])CCS1(=O)=O ZINC001571131574 1025853137 /nfs/dbraw/zinc/85/31/37/1025853137.db2.gz LDHZXBCMNIXDNJ-ZETCQYMHSA-N -1 0 316.339 -0.231 20 0 DBADRM Cc1nc2c(c(=O)[nH]1)CN(S(=O)(=O)N(C)CCC(=O)[O-])C2 ZINC001571131352 1025853651 /nfs/dbraw/zinc/85/36/51/1025853651.db2.gz CYBPMTSACZCIND-UHFFFAOYSA-N -1 0 316.339 -0.542 20 0 DBADRM CN(C)S(=O)(=O)CC(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001571131781 1025854043 /nfs/dbraw/zinc/85/40/43/1025854043.db2.gz TXMJHVWIWRZGML-UHFFFAOYSA-N -1 0 316.339 -0.643 20 0 DBADRM NC(=O)c1cccc(CN2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001571132827 1025855175 /nfs/dbraw/zinc/85/51/75/1025855175.db2.gz AOTQXFJUQZAQRU-QWHCGFSZSA-N -1 0 317.345 -0.193 20 0 DBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001571133099 1025855370 /nfs/dbraw/zinc/85/53/70/1025855370.db2.gz KKFPUTOZMMVSDM-QMMMGPOBSA-N -1 0 317.323 -0.693 20 0 DBADRM C[C@@](CO)(NS(=O)(=O)c1cccc2c1OCCO2)C(=O)[O-] ZINC001571132873 1025855413 /nfs/dbraw/zinc/85/54/13/1025855413.db2.gz HBBUANZJZAOKBH-LBPRGKRZSA-N -1 0 317.319 -0.428 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)n[nH]1 ZINC001571133038 1025855423 /nfs/dbraw/zinc/85/54/23/1025855423.db2.gz IUQGQVFHWUNAJR-ZETCQYMHSA-N -1 0 317.323 -0.272 20 0 DBADRM COC(=O)CC[C@@H](NC(=O)C[C@H]1CCOC[C@@H]1OC)C(=O)[O-] ZINC001571132809 1025855459 /nfs/dbraw/zinc/85/54/59/1025855459.db2.gz GHIDOMCMOMNGAM-MXWKQRLJSA-N -1 0 317.338 -0.049 20 0 DBADRM NC(=O)c1cccc(CN2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001571132826 1025855723 /nfs/dbraw/zinc/85/57/23/1025855723.db2.gz AOTQXFJUQZAQRU-OLZOCXBDSA-N -1 0 317.345 -0.193 20 0 DBADRM COC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1 ZINC001571133732 1025856589 /nfs/dbraw/zinc/85/65/89/1025856589.db2.gz WPSACXOWGMFPFY-UHFFFAOYSA-N -1 0 317.323 -0.318 20 0 DBADRM CC(=O)Nc1cnccc1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001571137296 1025856973 /nfs/dbraw/zinc/85/69/73/1025856973.db2.gz ASQMBUGDZBUDLK-UHFFFAOYSA-N -1 0 318.293 -0.240 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NCC(=O)NCC(C)C)c1C(=O)[O-] ZINC001571138011 1025857470 /nfs/dbraw/zinc/85/74/70/1025857470.db2.gz QNTOIDBEMSOLEY-UHFFFAOYSA-N -1 0 318.355 -0.533 20 0 DBADRM O=C([O-])[C@@H](Cn1cncn1)NC(=O)[C@H]1COc2ccccc2O1 ZINC001571137993 1025857587 /nfs/dbraw/zinc/85/75/87/1025857587.db2.gz PDEKEQYCPAEGQX-BXKDBHETSA-N -1 0 318.289 -0.313 20 0 DBADRM COC(=O)c1cc(C(=O)[O-])n(CC2CN(S(C)(=O)=O)C2)n1 ZINC001571133557 1025857970 /nfs/dbraw/zinc/85/79/70/1025857970.db2.gz SWCVBHCJWFGENI-UHFFFAOYSA-N -1 0 317.323 -0.741 20 0 DBADRM NS(=O)(=O)c1ccc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])c(F)c1 ZINC001571139381 1025858746 /nfs/dbraw/zinc/85/87/46/1025858746.db2.gz KISUAGGZHVJVGC-GZMMTYOYSA-N -1 0 318.326 -0.507 20 0 DBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]21 ZINC001571139750 1025859230 /nfs/dbraw/zinc/85/92/30/1025859230.db2.gz MAPUOEQEVAPJSH-OQEOFVATSA-N -1 0 318.333 -0.754 20 0 DBADRM NS(=O)(=O)c1ccc(CN2CC[C@](O)(C(=O)[O-])C2)c(F)c1 ZINC001571140072 1025859352 /nfs/dbraw/zinc/85/93/52/1025859352.db2.gz OQPYNOBYVZEZLV-GFCCVEGCSA-N -1 0 318.326 -0.506 20 0 DBADRM Cn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cn1 ZINC001571139394 1025859836 /nfs/dbraw/zinc/85/98/36/1025859836.db2.gz KMBDMLUHLJVOKN-JCIQBVFBSA-N -1 0 318.333 -0.673 20 0 DBADRM Cn1nc(C(=O)[O-])cc1C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001571140748 1025859851 /nfs/dbraw/zinc/85/98/51/1025859851.db2.gz JGYYBNCHTCDXFI-UHFFFAOYSA-N -1 0 319.277 -0.982 20 0 DBADRM CN(CCCn1cnc2c1ncnc2N)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001571139702 1025859910 /nfs/dbraw/zinc/85/99/10/1025859910.db2.gz LMUCPXIBSWMMNR-DTWKUNHWSA-N -1 0 318.337 -0.022 20 0 DBADRM Cn1nccc1[C@H](NC(=O)[C@@H]1CCc2nncn2CC1)C(=O)[O-] ZINC001571140952 1025860338 /nfs/dbraw/zinc/86/03/38/1025860338.db2.gz VXCMJVTUUOYRRM-SKDRFNHKSA-N -1 0 318.337 -0.094 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2cnccn2)CC1 ZINC001571141582 1025860407 /nfs/dbraw/zinc/86/04/07/1025860407.db2.gz YZFXITFMEYGFKU-GHMZBOCLSA-N -1 0 318.333 -0.082 20 0 DBADRM Cc1nn(CCS(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c(=O)o1 ZINC001571143022 1025860842 /nfs/dbraw/zinc/86/08/42/1025860842.db2.gz HYXZDBRLXTZNQW-APPZFPTMSA-N -1 0 319.339 -0.730 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001571141914 1025860867 /nfs/dbraw/zinc/86/08/67/1025860867.db2.gz VHAGQWDBZWIKKO-NXEZZACHSA-N -1 0 319.310 -0.096 20 0 DBADRM O=C([O-])CC1(NC(=O)c2nc3ncc(CCO)cn3n2)CCC1 ZINC001571142837 1025860990 /nfs/dbraw/zinc/86/09/90/1025860990.db2.gz AVJQRQIQAHFTAF-UHFFFAOYSA-N -1 0 319.321 -0.214 20 0 DBADRM CN(C)[S@@](=O)(=NS(=O)(=O)NCC(=O)[O-])c1ccccc1 ZINC001571154669 1025873899 /nfs/dbraw/zinc/87/38/99/1025873899.db2.gz SEJUHSRNPQYNQZ-IBGZPJMESA-N -1 0 321.380 -0.091 20 0 DBADRM Cc1cc(C)n(CC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c(=O)n1 ZINC001571143240 1025862527 /nfs/dbraw/zinc/86/25/27/1025862527.db2.gz PIDGACDDOIKRBW-NSHDSACASA-N -1 0 319.321 -0.605 20 0 DBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)C[C@@H]2CC3(CCC3)CO2)C1 ZINC001571144018 1025862934 /nfs/dbraw/zinc/86/29/34/1025862934.db2.gz DHMXAXJPXPRVLT-GXFFZTMASA-N -1 0 319.379 -0.203 20 0 DBADRM C[C@@](O)(CC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)C1CC1 ZINC001571144216 1025863018 /nfs/dbraw/zinc/86/30/18/1025863018.db2.gz HOOHYWSZENOCNE-ZWKOPEQDSA-N -1 0 319.379 -0.458 20 0 DBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H](F)C(=O)[O-] ZINC001571145327 1025864183 /nfs/dbraw/zinc/86/41/83/1025864183.db2.gz SGVVSIJQIFUGBR-QMMMGPOBSA-N -1 0 320.298 -0.505 20 0 DBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)COCc1cc[nH]c(=O)c1 ZINC001571145593 1025864313 /nfs/dbraw/zinc/86/43/13/1025864313.db2.gz CYAZXNFRMOYPMD-LLVKDONJSA-N -1 0 320.305 -0.161 20 0 DBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001571144684 1025864414 /nfs/dbraw/zinc/86/44/14/1025864414.db2.gz SUZIVOVZRNWUPL-HWOCKDDLSA-N -1 0 319.383 -0.729 20 0 DBADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CC1CCOCC1)C(=O)[O-] ZINC001571144679 1025864504 /nfs/dbraw/zinc/86/45/04/1025864504.db2.gz SRQNAUCNLHJURR-GXFFZTMASA-N -1 0 319.379 -0.193 20 0 DBADRM Cc1cc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n[nH]1 ZINC001571146501 1025866081 /nfs/dbraw/zinc/86/60/81/1025866081.db2.gz ZPSGZKXTSJVRCY-BSJXLVFVSA-N -1 0 320.349 -0.255 20 0 DBADRM O=C([O-])c1nccc(N[C@@H]2CCN(C(=O)c3cnsn3)C2)n1 ZINC001571146197 1025866160 /nfs/dbraw/zinc/86/61/60/1025866160.db2.gz TUYYGKLGHCUKCG-SSDOTTSWSA-N -1 0 320.334 -0.225 20 0 DBADRM Cn1cnnc1[C@@H](CO)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001571146011 1025866817 /nfs/dbraw/zinc/86/68/17/1025866817.db2.gz QSXPLMRTKDUWCG-LLVKDONJSA-N -1 0 320.305 -0.258 20 0 DBADRM C[C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@@H](C(=O)[O-])O1 ZINC001571149280 1025868171 /nfs/dbraw/zinc/86/81/71/1025868171.db2.gz RGXIZLLKTHZFLR-PTRXPTGYSA-N -1 0 320.367 -0.841 20 0 DBADRM C[C@@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)C1N=NC(=O)N1C ZINC001571149935 1025868279 /nfs/dbraw/zinc/86/82/79/1025868279.db2.gz QQPCSOICKWSJDO-SSDOTTSWSA-N -1 0 321.293 -0.742 20 0 DBADRM CN1C(=O)COc2ccc(NC(=O)N3CC(O)(C(=O)[O-])C3)cc21 ZINC001571149576 1025868401 /nfs/dbraw/zinc/86/84/01/1025868401.db2.gz BOMDYDVDOBJORZ-UHFFFAOYSA-N -1 0 321.289 -0.295 20 0 DBADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@H](O)CN1c1ccncn1)C1CC1 ZINC001571149406 1025868422 /nfs/dbraw/zinc/86/84/22/1025868422.db2.gz XBDGAOJRBZMMEO-SDDRHHMPSA-N -1 0 320.349 -0.214 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001571148989 1025868639 /nfs/dbraw/zinc/86/86/39/1025868639.db2.gz IHMMYHSRVOJVBS-FIQHERPVSA-N -1 0 320.349 -0.385 20 0 DBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001571148922 1025868694 /nfs/dbraw/zinc/86/86/94/1025868694.db2.gz GQFCZSHGPFHHRC-NEPJUHHUSA-N -1 0 320.367 -0.840 20 0 DBADRM C[C@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)C1N=NC(=O)N1C ZINC001571149936 1025868750 /nfs/dbraw/zinc/86/87/50/1025868750.db2.gz QQPCSOICKWSJDO-ZETCQYMHSA-N -1 0 321.293 -0.742 20 0 DBADRM CCCCS(=O)(=O)CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001571149234 1025869184 /nfs/dbraw/zinc/86/91/84/1025869184.db2.gz QIUNUFCAWNVNAT-SECBINFHSA-N -1 0 320.367 -0.997 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)Cn2cccn2)CC1 ZINC001571149075 1025869253 /nfs/dbraw/zinc/86/92/53/1025869253.db2.gz LGZZOROBSCGUNN-NWDGAFQWSA-N -1 0 320.349 -0.289 20 0 DBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001571148923 1025869430 /nfs/dbraw/zinc/86/94/30/1025869430.db2.gz GQFCZSHGPFHHRC-NWDGAFQWSA-N -1 0 320.367 -0.840 20 0 DBADRM C[C@H]1CN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001571149474 1025869502 /nfs/dbraw/zinc/86/95/02/1025869502.db2.gz YLYOXQADRTZWSC-GUBZILKMSA-N -1 0 320.367 -0.695 20 0 DBADRM CC(=O)N(C)CC(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001571149044 1025869510 /nfs/dbraw/zinc/86/95/10/1025869510.db2.gz KHSIJCKJPZZDDV-UHFFFAOYSA-N -1 0 320.367 -0.997 20 0 DBADRM C[C@@H]1C[C@H](C(=O)NC2CC(NS(C)(=O)=O)C2)O[C@H]1C(=O)[O-] ZINC001571149092 1025869592 /nfs/dbraw/zinc/86/95/92/1025869592.db2.gz LWLPRCKTCRSJOL-LENJLYNKSA-N -1 0 320.367 -0.939 20 0 DBADRM Cc1nn(C)c(-n2ccnc2C)c1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001571150807 1025870234 /nfs/dbraw/zinc/87/02/34/1025870234.db2.gz NPGNQLDMDXSPJQ-CQSZACIVSA-N -1 0 321.337 -0.212 20 0 DBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCc2ccon2)CC1 ZINC001571150575 1025870409 /nfs/dbraw/zinc/87/04/09/1025870409.db2.gz JXJTVKSHVFSBDG-RYUDHWBXSA-N -1 0 321.333 -0.001 20 0 DBADRM C[C@H]1C(=O)NCCN1C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001571150222 1025870448 /nfs/dbraw/zinc/87/04/48/1025870448.db2.gz AVKXILGWENUOCR-DTWKUNHWSA-N -1 0 321.337 -0.054 20 0 DBADRM Cc1cc(NC(=O)NCCN2CCNC(=O)C2)ncc1C(=O)[O-] ZINC001571150931 1025870498 /nfs/dbraw/zinc/87/04/98/1025870498.db2.gz OWRLLQLSQOKQKN-UHFFFAOYSA-N -1 0 321.337 -0.358 20 0 DBADRM CN1CCN(S(=O)(=O)C2CCC(C(=O)[O-])CC2)C[C@H]1CO ZINC001571150170 1025870698 /nfs/dbraw/zinc/87/06/98/1025870698.db2.gz ZAADYKJVVXIUCY-CXQJBGSLSA-N -1 0 320.411 -0.432 20 0 DBADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001571150898 1025870955 /nfs/dbraw/zinc/87/09/55/1025870955.db2.gz NSMJURHDQJVIAV-OPRDCNLKSA-N -1 0 321.337 -0.219 20 0 DBADRM CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1 ZINC001571150504 1025871095 /nfs/dbraw/zinc/87/10/95/1025871095.db2.gz IFYYSRSNSGJTFJ-RGOKHQFPSA-N -1 0 321.337 -0.604 20 0 DBADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)CN1CCCNC1=O ZINC001571150517 1025871180 /nfs/dbraw/zinc/87/11/80/1025871180.db2.gz IKPPADMDQPBPQZ-VIFPVBQESA-N -1 0 321.337 -0.052 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001571150940 1025871301 /nfs/dbraw/zinc/87/13/01/1025871301.db2.gz PCICMEAERSWZNA-NXEZZACHSA-N -1 0 321.337 -0.506 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001571153437 1025872051 /nfs/dbraw/zinc/87/20/51/1025872051.db2.gz NNAOIGPBJKJNDJ-RGOKHQFPSA-N -1 0 322.321 -0.595 20 0 DBADRM NC(=O)N[C@@H](CC(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1)c1ccccc1 ZINC001571151190 1025872187 /nfs/dbraw/zinc/87/21/87/1025872187.db2.gz SAVGXPDRANXAFM-ZIBATOQPSA-N -1 0 321.333 -0.120 20 0 DBADRM O=C([O-])c1ccn(CC(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)n1 ZINC001571151167 1025872315 /nfs/dbraw/zinc/87/23/15/1025872315.db2.gz RPVZGVYPLLUWSU-SNVBAGLBSA-N -1 0 321.337 -0.356 20 0 DBADRM Cn1cnc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001571151534 1025872500 /nfs/dbraw/zinc/87/25/00/1025872500.db2.gz ZOOCPVRUGWWLSN-ZYUZMQFOSA-N -1 0 321.337 -0.840 20 0 DBADRM Cc1nnc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)o1 ZINC001571153436 1025872597 /nfs/dbraw/zinc/87/25/97/1025872597.db2.gz NNAOIGPBJKJNDJ-QCLAVDOMSA-N -1 0 322.321 -0.595 20 0 DBADRM CN1CC[C@H](NC(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)C1=O ZINC001571151388 1025872667 /nfs/dbraw/zinc/87/26/67/1025872667.db2.gz VPZBHHMSYFDHTA-IUCAKERBSA-N -1 0 321.337 -0.054 20 0 DBADRM COc1ccccc1C(=O)NCC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001571153731 1025873976 /nfs/dbraw/zinc/87/39/76/1025873976.db2.gz QJRHIIQMYYEXOR-HNNXBMFYSA-N -1 0 322.317 -0.527 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)N1CCCC[C@@H]1C)C(=O)[O-] ZINC001571154622 1025874019 /nfs/dbraw/zinc/87/40/19/1025874019.db2.gz QDMRSITWKZAGFV-GUBZILKMSA-N -1 0 321.399 -0.327 20 0 DBADRM C[C@@]1(CO)C[C@@H](O)CN1S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001571154918 1025874224 /nfs/dbraw/zinc/87/42/24/1025874224.db2.gz XSJTVKCWLXMHHN-PWSUYJOCSA-N -1 0 321.395 -0.221 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]cc3F)C[C@H]21 ZINC001571154550 1025874907 /nfs/dbraw/zinc/87/49/07/1025874907.db2.gz YZYCUVLWTAANSI-BGJNVIQHSA-N -1 0 322.296 -0.544 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001571154506 1025874944 /nfs/dbraw/zinc/87/49/44/1025874944.db2.gz NNVWQFKIWPQGIK-UHFFFAOYSA-N -1 0 321.380 -0.010 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001571155880 1025876119 /nfs/dbraw/zinc/87/61/19/1025876119.db2.gz GZKAEESCZWPAIT-OPRDCNLKSA-N -1 0 322.383 -0.880 20 0 DBADRM COC(=O)[C@](C)(CO)NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001571157737 1025876182 /nfs/dbraw/zinc/87/61/82/1025876182.db2.gz BLEOIGVKSOKCDH-PTRXPTGYSA-N -1 0 323.367 -0.527 20 0 DBADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1cnn(C[C@@H](O)CO)c1)C2 ZINC001571158123 1025876328 /nfs/dbraw/zinc/87/63/28/1025876328.db2.gz GZPNBVMQHQNASZ-ZOWXZIJZSA-N -1 0 323.349 -0.437 20 0 DBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001571155878 1025876481 /nfs/dbraw/zinc/87/64/81/1025876481.db2.gz GZKAEESCZWPAIT-BBBLOLIVSA-N -1 0 322.383 -0.880 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3CCOCC3)C[C@H]21 ZINC001571155901 1025876867 /nfs/dbraw/zinc/87/68/67/1025876867.db2.gz HNCMESXLEZRTLA-KVSVUVNWSA-N -1 0 322.361 -0.293 20 0 DBADRM COC(=O)c1cccn(CC(=O)NC2(C)CN(C(=O)[O-])C2)c1=O ZINC001571159170 1025877463 /nfs/dbraw/zinc/87/74/63/1025877463.db2.gz AFJQXAXXQNIMMR-UHFFFAOYSA-N -1 0 323.305 -0.497 20 0 DBADRM COC(=O)[C@H]1CN(C(=O)NCc2ccc[nH]c2=O)C[C@H]1C(=O)[O-] ZINC001571160177 1025877902 /nfs/dbraw/zinc/87/79/02/1025877902.db2.gz VMLCGZAROSVIKA-ZJUUUORDSA-N -1 0 323.305 -0.198 20 0 DBADRM C[C@@]1(NC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CCOC1=O ZINC001571159384 1025877910 /nfs/dbraw/zinc/87/79/10/1025877910.db2.gz GRLUGFIOHAAZDW-ISVAXAHUSA-N -1 0 323.309 -0.362 20 0 DBADRM O=C([O-])[C@H](CC1CC1)NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001571159601 1025877991 /nfs/dbraw/zinc/87/79/91/1025877991.db2.gz KIFWVRFBYKVYCB-BDAKNGLRSA-N -1 0 323.309 -0.630 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)NCc2ccc[nH]c2=O)C[C@H]1C(=O)[O-] ZINC001571160174 1025878431 /nfs/dbraw/zinc/87/84/31/1025878431.db2.gz VMLCGZAROSVIKA-NXEZZACHSA-N -1 0 323.305 -0.198 20 0 DBADRM C[C@](Cn1cccn1)(NC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)[O-] ZINC001571158748 1025878777 /nfs/dbraw/zinc/87/87/77/1025878777.db2.gz QTZAZYNKHQRKDE-IINYFYTJSA-N -1 0 323.353 -0.367 20 0 DBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CCN(CC(=O)N2CCC2)CC1 ZINC001571160703 1025879226 /nfs/dbraw/zinc/87/92/26/1025879226.db2.gz FJWGAWRBJHKFRH-CHWSQXEVSA-N -1 0 323.393 -0.138 20 0 DBADRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC001571158767 1025879242 /nfs/dbraw/zinc/87/92/42/1025879242.db2.gz RLVMJURZFGGSJZ-NHYWBVRUSA-N -1 0 323.349 -0.224 20 0 DBADRM COCc1noc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001571163979 1025879710 /nfs/dbraw/zinc/87/97/10/1025879710.db2.gz YJBXQOJOJDMOCB-RGOKHQFPSA-N -1 0 324.337 -0.327 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1C(=O)[O-] ZINC001571163440 1025879814 /nfs/dbraw/zinc/87/98/14/1025879814.db2.gz MABUKGVEPSLCGE-RKDXNWHRSA-N -1 0 324.337 -0.021 20 0 DBADRM COCC(=O)N1CCC[C@@](CO)(Nc2ccnc(C(=O)[O-])n2)C1 ZINC001571163766 1025880484 /nfs/dbraw/zinc/88/04/84/1025880484.db2.gz QCZSOQWVQPGFLF-CQSZACIVSA-N -1 0 324.337 -0.992 20 0 DBADRM CCOC(=O)c1c(C)n[nH]c1CN1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001571163837 1025880526 /nfs/dbraw/zinc/88/05/26/1025880526.db2.gz SNPIUNJIUHFUFW-SNVBAGLBSA-N -1 0 324.337 -0.378 20 0 DBADRM COCCn1ncc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1C ZINC001571163985 1025880720 /nfs/dbraw/zinc/88/07/20/1025880720.db2.gz YKUSZTQCTWECPR-NSHDSACASA-N -1 0 324.337 -0.747 20 0 DBADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccnc(OC)n2)C[C@@H]1C(=O)[O-] ZINC001571163996 1025880771 /nfs/dbraw/zinc/88/07/71/1025880771.db2.gz YQDUJCUOTNYPAL-JGVFFNPUSA-N -1 0 324.293 -0.177 20 0 DBADRM COc1ccccc1[C@@H](O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001571163181 1025880797 /nfs/dbraw/zinc/88/07/97/1025880797.db2.gz FZKDYMOBGOBOOS-CQSZACIVSA-N -1 0 324.333 -0.174 20 0 DBADRM COC(=O)C1(O)CN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC001571164001 1025880892 /nfs/dbraw/zinc/88/08/92/1025880892.db2.gz YSGVXEUCIYOHNZ-UHFFFAOYSA-N -1 0 324.289 -0.098 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001571165722 1025882743 /nfs/dbraw/zinc/88/27/43/1025882743.db2.gz OQXNPBZOGFFXRT-TUAOUCFPSA-N -1 0 324.358 -0.105 20 0 DBADRM CN(CCOCCNC(=O)c1ncccn1)Cc1n[nH]c(=O)[n-]1 ZINC001571344905 1025898101 /nfs/dbraw/zinc/89/81/01/1025898101.db2.gz UEPGNGYIYGHJKF-UHFFFAOYSA-N -1 0 321.341 -0.821 20 0 DBADRM C/C=C(\C)C(=O)N(C)[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001571854474 1026198672 /nfs/dbraw/zinc/19/86/72/1026198672.db2.gz QSWPERYCMKAPNL-QRJSTWQJSA-N -1 0 311.342 -0.381 20 0 DBADRM C[C@@H](CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)C(F)F ZINC001572067791 1026247318 /nfs/dbraw/zinc/24/73/18/1026247318.db2.gz AYZKBFMOVFKCGE-LURJTMIESA-N -1 0 321.284 -0.645 20 0 DBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)[C@@H]2CCNC2=O)c1[O-] ZINC001572285197 1026310238 /nfs/dbraw/zinc/31/02/38/1026310238.db2.gz NIQRGAQFGDIYRE-IONNQARKSA-N -1 0 323.353 -0.863 20 0 DBADRM CC/C=C(/C)C(=O)N[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001572319505 1026334284 /nfs/dbraw/zinc/33/42/84/1026334284.db2.gz BWDCZTJRSRUJJK-DAGBOUIGSA-N -1 0 310.354 -0.013 20 0 DBADRM C/C=C(\C)C(=O)NC1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001572562274 1026430920 /nfs/dbraw/zinc/43/09/20/1026430920.db2.gz KJPNBLAGFHDUKD-QPJJXVBHSA-N -1 0 321.337 -0.032 20 0 DBADRM CC(=O)Nc1ccc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)cn1 ZINC001573353256 1026552754 /nfs/dbraw/zinc/55/27/54/1026552754.db2.gz VNMDFPJPPCAXIJ-SNVBAGLBSA-N -1 0 306.278 -0.114 20 0 DBADRM C[C@H](C(=O)Nc1nc2n(c1C(=O)[O-])CCOC2)S(C)(=O)=O ZINC001573364371 1026555662 /nfs/dbraw/zinc/55/56/62/1026555662.db2.gz RUBTWGXIPPWWQM-ZCFIWIBFSA-N -1 0 317.323 -0.517 20 0 DBADRM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001573370497 1026558786 /nfs/dbraw/zinc/55/87/86/1026558786.db2.gz IQSOBDZZWUWRTI-JHJVBQTASA-N -1 0 321.333 -0.305 20 0 DBADRM CC(=O)OC1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC001573374890 1026559272 /nfs/dbraw/zinc/55/92/72/1026559272.db2.gz IDENLNGUMLRNCO-UHFFFAOYSA-N -1 0 317.323 -0.176 20 0 DBADRM CC(=O)c1cn(CC(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])nn1 ZINC001573397249 1026560756 /nfs/dbraw/zinc/56/07/56/1026560756.db2.gz IVFDGNLPMCRCFV-VHSXEESVSA-N -1 0 310.310 -0.381 20 0 DBADRM CC(=O)CCCC(=O)N1CC([C@H](C)NC(=O)CNC(=O)[O-])C1 ZINC001573399086 1026561439 /nfs/dbraw/zinc/56/14/39/1026561439.db2.gz FVKWANUUQLZUOD-JTQLQIEISA-N -1 0 313.354 -0.024 20 0 DBADRM CC(=O)c1sc(NC(=O)N2C[C@@H](O)[C@@H](O)C2)nc1C(=O)[O-] ZINC001573397180 1026561627 /nfs/dbraw/zinc/56/16/27/1026561627.db2.gz GUDXPPUZMCBVKL-OLQVQODUSA-N -1 0 315.307 -0.387 20 0 DBADRM CC(=O)c1cncc(C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC001573398276 1026561986 /nfs/dbraw/zinc/56/19/86/1026561986.db2.gz ZHQZEMLBSBNIBC-JGVFFNPUSA-N -1 0 307.306 -0.008 20 0 DBADRM CC(=O)CCCC(=O)N1C[C@H](C)[C@H](NC(=O)CNC(=O)[O-])C1 ZINC001573398812 1026562023 /nfs/dbraw/zinc/56/20/23/1026562023.db2.gz DORIQEHMIOJDNY-GXSJLCMTSA-N -1 0 313.354 -0.024 20 0 DBADRM C[C@@H](C(=O)[O-])C1CN(C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)C1 ZINC001573398362 1026562120 /nfs/dbraw/zinc/56/21/20/1026562120.db2.gz DVHFKVIBANONDX-YEFHITBRSA-N -1 0 309.318 -0.114 20 0 DBADRM CC(=O)C1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC001573392936 1026562206 /nfs/dbraw/zinc/56/22/06/1026562206.db2.gz MJOXHWVIMPOEQE-IUCAKERBSA-N -1 0 313.354 -0.025 20 0 DBADRM C[C@@H](C(=O)N(C)CC(=O)Nc1cc(C(=O)[O-])n[nH]1)n1cccn1 ZINC001573400553 1026562574 /nfs/dbraw/zinc/56/25/74/1026562574.db2.gz YTONFKFYXOUERX-QMMMGPOBSA-N -1 0 320.309 -0.038 20 0 DBADRM CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001573399470 1026563580 /nfs/dbraw/zinc/56/35/80/1026563580.db2.gz JSKJVJICAPMQSY-MRVPVSSYSA-N -1 0 317.323 -0.524 20 0 DBADRM C[C@@H](C(=O)[O-])C1CN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C1 ZINC001573399542 1026563863 /nfs/dbraw/zinc/56/38/63/1026563863.db2.gz NWIZKFWOISDAPU-BDAKNGLRSA-N -1 0 319.383 -0.919 20 0 DBADRM CC(=O)CCCC(=O)N[C@@H](C)C1CN(C(=O)CNC(=O)[O-])C1 ZINC001573400040 1026564077 /nfs/dbraw/zinc/56/40/77/1026564077.db2.gz QBPWFJGDKXFOLL-JTQLQIEISA-N -1 0 313.354 -0.024 20 0 DBADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])C1)n1cnc2c1ncnc2N ZINC001573399237 1026564184 /nfs/dbraw/zinc/56/41/84/1026564184.db2.gz LVFHWYAODGKPDH-SFYZADRCSA-N -1 0 304.310 -0.097 20 0 DBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)N2CC[C@@H](O)[C@@H](O)C2)cn1 ZINC001573407671 1026564963 /nfs/dbraw/zinc/56/49/63/1026564963.db2.gz OCOCFEAGMQSZAF-ZJUUUORDSA-N -1 0 312.326 -0.338 20 0 DBADRM CC(=O)N1C[C@@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)Oc2ccccc21 ZINC001573410263 1026565627 /nfs/dbraw/zinc/56/56/27/1026565627.db2.gz MXHYORPWKARQLC-JCOFBHIZSA-N -1 0 322.317 -0.249 20 0 DBADRM CC(C)(C(=O)[O-])c1csc(NC(=O)CCNC(=O)CO)n1 ZINC001573408322 1026565707 /nfs/dbraw/zinc/56/57/07/1026565707.db2.gz VTTKMOJKUZFFEA-UHFFFAOYSA-N -1 0 315.351 -0.058 20 0 DBADRM C[C@H](C(=O)[O-])C1CN(C(=O)c2ccc(S(N)(=O)=O)nc2)C1 ZINC001573408199 1026565901 /nfs/dbraw/zinc/56/59/01/1026565901.db2.gz VLZWDBQETSGMMN-ZETCQYMHSA-N -1 0 313.335 -0.478 20 0 DBADRM CC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)NC(=O)CNC(=O)[O-] ZINC001573402330 1026566295 /nfs/dbraw/zinc/56/62/95/1026566295.db2.gz JSRVFEUOSJJQLR-RKDXNWHRSA-N -1 0 316.358 -0.868 20 0 DBADRM CC(=O)N[C@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])C1CCCC1 ZINC001573416909 1026566687 /nfs/dbraw/zinc/56/66/87/1026566687.db2.gz DGZZMFQXKNIHNG-RYUDHWBXSA-N -1 0 323.353 -0.458 20 0 DBADRM CC(=O)N[C@@H](C(=O)N[C@H](Cn1cncn1)C(=O)[O-])C1CCCC1 ZINC001573416910 1026566871 /nfs/dbraw/zinc/56/68/71/1026566871.db2.gz DGZZMFQXKNIHNG-VXGBXAGGSA-N -1 0 323.353 -0.458 20 0 DBADRM CC(=O)N1CCN(C(=O)CCNc2cc(C(=O)[O-])ncn2)CC1 ZINC001573413089 1026566974 /nfs/dbraw/zinc/56/69/74/1026566974.db2.gz ACPQMVBNNYHQJM-UHFFFAOYSA-N -1 0 321.337 -0.333 20 0 DBADRM CC(=O)N1CCN(S(=O)(=O)c2cccnc2C(=O)[O-])CC1 ZINC001573414512 1026567176 /nfs/dbraw/zinc/56/71/76/1026567176.db2.gz SYYSVNQQPGOLRG-UHFFFAOYSA-N -1 0 313.335 -0.367 20 0 DBADRM CC(=O)N1CCC2(CC1)CN(C(=O)CNC(=O)[O-])C[C@H](C)O2 ZINC001573411312 1026568100 /nfs/dbraw/zinc/56/81/00/1026568100.db2.gz OMBOTNOBXITCKP-JTQLQIEISA-N -1 0 313.354 -0.118 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)CNC(=O)[O-] ZINC001573417628 1026568305 /nfs/dbraw/zinc/56/83/05/1026568305.db2.gz KJKSFRLZJGOXNC-QMMMGPOBSA-N -1 0 316.358 -0.868 20 0 DBADRM CC(=O)N1CC2(C1)C[C@H](NC(=O)CNC(=O)[O-])c1nccn12 ZINC001573410929 1026568414 /nfs/dbraw/zinc/56/84/14/1026568414.db2.gz ZCRNGCGBPAKOGB-VIFPVBQESA-N -1 0 307.310 -0.731 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N1CCN(c2ccnc(C(=O)[O-])n2)CC1 ZINC001573421004 1026569586 /nfs/dbraw/zinc/56/95/86/1026569586.db2.gz GYKWDRYHONYORS-VIFPVBQESA-N -1 0 321.337 -0.652 20 0 DBADRM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001573419195 1026570005 /nfs/dbraw/zinc/57/00/05/1026570005.db2.gz ZFKVVWCCUNXXBN-QWHCGFSZSA-N -1 0 306.318 -0.479 20 0 DBADRM CC(=O)NCC(=O)N(C)[C@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001573427801 1026570783 /nfs/dbraw/zinc/57/07/83/1026570783.db2.gz JAWKAOPNCLNQAX-NSHDSACASA-N -1 0 321.337 -0.652 20 0 DBADRM CC(=O)N[C@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001573427758 1026570805 /nfs/dbraw/zinc/57/08/05/1026570805.db2.gz HZQILGOCALERHH-JTQLQIEISA-N -1 0 306.322 -0.071 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573423584 1026570826 /nfs/dbraw/zinc/57/08/26/1026570826.db2.gz ZHOGTNOIUQWPCZ-DTWKUNHWSA-N -1 0 323.353 -0.042 20 0 DBADRM CC(=O)NCC(=O)N1CCCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001573427725 1026570858 /nfs/dbraw/zinc/57/08/58/1026570858.db2.gz GTPBAZIIJTXCLW-UHFFFAOYSA-N -1 0 321.337 -0.650 20 0 DBADRM CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573423583 1026570968 /nfs/dbraw/zinc/57/09/68/1026570968.db2.gz ZHOGTNOIUQWPCZ-BDAKNGLRSA-N -1 0 323.353 -0.042 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001573423580 1026571426 /nfs/dbraw/zinc/57/14/26/1026571426.db2.gz ZDLGGYPWCIMVSU-LDYMZIIASA-N -1 0 321.337 -0.606 20 0 DBADRM CC(=O)NC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)CNC(=O)[O-] ZINC001573423575 1026571622 /nfs/dbraw/zinc/57/16/22/1026571622.db2.gz ZDCQHEATUCYZLV-MRVPVSSYSA-N -1 0 316.358 -0.868 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001573422883 1026571710 /nfs/dbraw/zinc/57/17/10/1026571710.db2.gz SWQPGUQRZJGBQI-RKDXNWHRSA-N -1 0 323.353 -0.042 20 0 DBADRM CC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1 ZINC001573427800 1026571822 /nfs/dbraw/zinc/57/18/22/1026571822.db2.gz JAWKAOPNCLNQAX-LLVKDONJSA-N -1 0 321.337 -0.652 20 0 DBADRM CC(=O)N[C@@H]1CN(C(=O)CNC(=O)[O-])CC2(CCOCC2)C1 ZINC001573427608 1026571965 /nfs/dbraw/zinc/57/19/65/1026571965.db2.gz CEJQIZDDZJPKRD-NSHDSACASA-N -1 0 313.354 -0.212 20 0 DBADRM CC(=O)N[C@H](C)C(=O)N(C)[C@H](C)CNc1ncc(C(=O)[O-])cn1 ZINC001573423586 1026572178 /nfs/dbraw/zinc/57/21/78/1026572178.db2.gz ZHOGTNOIUQWPCZ-RKDXNWHRSA-N -1 0 323.353 -0.042 20 0 DBADRM CC(=O)NCC(=O)NC1CC(CNc2ccnc(C(=O)[O-])n2)C1 ZINC001573429470 1026572588 /nfs/dbraw/zinc/57/25/88/1026572588.db2.gz JFGCHKIWVFQQJD-UHFFFAOYSA-N -1 0 321.337 -0.961 20 0 DBADRM CC(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001573430630 1026572735 /nfs/dbraw/zinc/57/27/35/1026572735.db2.gz UDTUSOLPABTHMM-VIFPVBQESA-N -1 0 301.343 -0.756 20 0 DBADRM CC(=O)NCC(=O)NCCN(c1ncc(C(=O)[O-])cn1)C1CC1 ZINC001573429144 1026573185 /nfs/dbraw/zinc/57/31/85/1026573185.db2.gz DTDVHDBHKCBKTF-UHFFFAOYSA-N -1 0 321.337 -0.604 20 0 DBADRM CC(=O)NCC(=O)N1CC[C@@H](N(C)c2ccnc(C(=O)[O-])n2)C1 ZINC001573428567 1026573237 /nfs/dbraw/zinc/57/32/37/1026573237.db2.gz XYXKWBAKKIHGSQ-SNVBAGLBSA-N -1 0 321.337 -0.652 20 0 DBADRM CC(=O)NCC(=O)N[C@H](CNc1ccnc(C(=O)[O-])n1)C1CC1 ZINC001573429452 1026573254 /nfs/dbraw/zinc/57/32/54/1026573254.db2.gz INRFFALZZIPPQK-SNVBAGLBSA-N -1 0 321.337 -0.961 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001573430212 1026573709 /nfs/dbraw/zinc/57/37/09/1026573709.db2.gz QEAYOLNLZCXVOA-SNVBAGLBSA-N -1 0 316.354 -0.129 20 0 DBADRM CC(=O)NCC(=O)N[C@@H](CNC(=O)CNC(=O)[O-])C(C)(C)C ZINC001573429454 1026573871 /nfs/dbraw/zinc/57/38/71/1026573871.db2.gz IQIMUUDNQHVDJW-VIFPVBQESA-N -1 0 316.358 -0.963 20 0 DBADRM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CNC(=O)CNC(=O)[O-] ZINC001573429026 1026573926 /nfs/dbraw/zinc/57/39/26/1026573926.db2.gz ARIGYRIVGKBQHL-MRVPVSSYSA-N -1 0 316.358 -0.963 20 0 DBADRM CC(=O)NCC(=O)NC[C@H](NC(=O)CNC(=O)[O-])C(C)(C)C ZINC001573430664 1026574062 /nfs/dbraw/zinc/57/40/62/1026574062.db2.gz UVQIISPPIAPUCI-VIFPVBQESA-N -1 0 316.358 -0.963 20 0 DBADRM CC(=O)N[C@@H](CC(=O)NCc1cc(C(=O)[O-])c(C)n1C)C(N)=O ZINC001573436151 1026574963 /nfs/dbraw/zinc/57/49/63/1026574963.db2.gz HYRKHMYRYLBHGH-NSHDSACASA-N -1 0 324.337 -0.972 20 0 DBADRM CC(=O)N[C@@H](C(=O)NC[C@H](C)NC(=O)CNC(=O)[O-])C(C)C ZINC001573436511 1026575429 /nfs/dbraw/zinc/57/54/29/1026575429.db2.gz RHZSJSYWAZWNMK-GZMMTYOYSA-N -1 0 316.358 -0.964 20 0 DBADRM CC(=O)Nc1ccc(C(=O)NC2(C(=O)[O-])CC(CO)C2)nc1 ZINC001573443227 1026576153 /nfs/dbraw/zinc/57/61/53/1026576153.db2.gz UBBISLXXSRTRPR-UHFFFAOYSA-N -1 0 307.306 -0.005 20 0 DBADRM CC(C)(CNC(=O)CNC(=O)[O-])[C@@H]1COCC12OCCO2 ZINC001573481741 1026579048 /nfs/dbraw/zinc/57/90/48/1026579048.db2.gz BTZBFEYKILROBH-VIFPVBQESA-N -1 0 302.327 -0.214 20 0 DBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001573468209 1026579076 /nfs/dbraw/zinc/57/90/76/1026579076.db2.gz GWWKUUQIPVGDBJ-DTWKUNHWSA-N -1 0 318.326 -0.816 20 0 DBADRM CC(C)(CNC(N)=O)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001573477790 1026579353 /nfs/dbraw/zinc/57/93/53/1026579353.db2.gz BEKOCEDCYVFPQA-UHFFFAOYSA-N -1 0 322.387 -0.936 20 0 DBADRM CC(C)(CNC(=O)N1CCC[C@@H]1CC(=O)[O-])CS(N)(=O)=O ZINC001573481907 1026580004 /nfs/dbraw/zinc/58/00/04/1026580004.db2.gz GGYRVVJFLXDSHG-SECBINFHSA-N -1 0 321.399 -0.050 20 0 DBADRM CC(C)(CC(=O)[O-])NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001573467481 1026580205 /nfs/dbraw/zinc/58/02/05/1026580205.db2.gz DXPJYSQQXKGVIO-ZETCQYMHSA-N -1 0 311.298 -0.630 20 0 DBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC001573490440 1026581315 /nfs/dbraw/zinc/58/13/15/1026581315.db2.gz CDTRFPQEPVWDNY-DTWKUNHWSA-N -1 0 301.343 -0.676 20 0 DBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001573501242 1026581332 /nfs/dbraw/zinc/58/13/32/1026581332.db2.gz XIWCTRKCQSXTGB-KXUCPTDWSA-N -1 0 306.384 -0.070 20 0 DBADRM CC(C)(CNC(=O)N1CCC(C(=O)[O-])CC1)CS(N)(=O)=O ZINC001573482437 1026581694 /nfs/dbraw/zinc/58/16/94/1026581694.db2.gz YMADRBPCGBBDGY-UHFFFAOYSA-N -1 0 321.399 -0.193 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001573492685 1026582096 /nfs/dbraw/zinc/58/20/96/1026582096.db2.gz ITZHEPCZVJZUCL-NXEZZACHSA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC001573495140 1026582163 /nfs/dbraw/zinc/58/21/63/1026582163.db2.gz UEXSVYWHMQBLMO-SECBINFHSA-N -1 0 321.399 -0.181 20 0 DBADRM CC(C)[C@@H](O)CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001573499335 1026582246 /nfs/dbraw/zinc/58/22/46/1026582246.db2.gz JQJZVUDQVCLOST-QWRGUYRKSA-N -1 0 300.355 -0.167 20 0 DBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001573492689 1026582830 /nfs/dbraw/zinc/58/28/30/1026582830.db2.gz ITZHEPCZVJZUCL-UWVGGRQHSA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)[C@H](NC(N)=O)C(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001573530996 1026583865 /nfs/dbraw/zinc/58/38/65/1026583865.db2.gz KOPJBUKPZZZCHI-BBBLOLIVSA-N -1 0 301.343 -0.182 20 0 DBADRM CC(C)NC(=O)CN1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001573524451 1026584030 /nfs/dbraw/zinc/58/40/30/1026584030.db2.gz CWFLFOLWHKVJNZ-NWDGAFQWSA-N -1 0 311.382 -0.234 20 0 DBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CC([C@@H](C)C(=O)[O-])C1 ZINC001573524459 1026584870 /nfs/dbraw/zinc/58/48/70/1026584870.db2.gz DIFDEDSGDKLGLM-SECBINFHSA-N -1 0 321.399 -0.324 20 0 DBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1nc(C(=O)[O-])c[nH]1 ZINC001573531322 1026584905 /nfs/dbraw/zinc/58/49/05/1026584905.db2.gz NUVZJGVOEHUIJU-ZETCQYMHSA-N -1 0 304.328 -0.380 20 0 DBADRM CC(C)n1nnc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)n1 ZINC001573535128 1026586068 /nfs/dbraw/zinc/58/60/68/1026586068.db2.gz HYPHHZAZBRFCMD-SFYZADRCSA-N -1 0 313.318 -0.654 20 0 DBADRM C[C@H](CNC(=O)N1CC[C@@H](CNS(C)(=O)=O)C1)CC(=O)[O-] ZINC001573544140 1026587185 /nfs/dbraw/zinc/58/71/85/1026587185.db2.gz FZOAZCPSQAXHHX-UWVGGRQHSA-N -1 0 321.399 -0.322 20 0 DBADRM C[C@H](CC(=O)[O-])NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001573540694 1026587302 /nfs/dbraw/zinc/58/73/02/1026587302.db2.gz NFKNLNASVMHCKE-SSDOTTSWSA-N -1 0 316.339 -0.890 20 0 DBADRM CC(C)c1nnnn1CC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001573533211 1026587318 /nfs/dbraw/zinc/58/73/18/1026587318.db2.gz LKKZMENIRMPGKG-VHSXEESVSA-N -1 0 311.342 -0.065 20 0 DBADRM C[C@H](CCC(=O)[O-])NC(=O)N1CCC(C(=O)NCCO)CC1 ZINC001573541783 1026587852 /nfs/dbraw/zinc/58/78/52/1026587852.db2.gz XJRDSPZPOQDPKB-SNVBAGLBSA-N -1 0 315.370 -0.230 20 0 DBADRM C[C@@H](NC(=O)N[C@@H](C)c1ccn(C)n1)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573551798 1026588550 /nfs/dbraw/zinc/58/85/50/1026588550.db2.gz BYQCERNOPIKMBN-YIZRAAEISA-N -1 0 311.342 -0.242 20 0 DBADRM C[C@H](C[S@](C)=O)NC(=O)N[C@H]1CN(C(=O)[O-])C[C@H]1CO ZINC001573551087 1026588816 /nfs/dbraw/zinc/58/88/16/1026588816.db2.gz RBIAZXYESNDEGR-GBJXRQAHSA-N -1 0 307.372 -0.977 20 0 DBADRM C[C@H](CS(C)(=O)=O)NC(=O)Nc1ncc(C(=O)[O-])n1C ZINC001573552174 1026588951 /nfs/dbraw/zinc/58/89/51/1026588951.db2.gz XGNUTJZNQURETL-ZCFIWIBFSA-N -1 0 304.328 -0.327 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573550104 1026588961 /nfs/dbraw/zinc/58/89/61/1026588961.db2.gz JBSPNZUWDHIQND-MXWKQRLJSA-N -1 0 311.342 -0.459 20 0 DBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCc1cc(C(=O)[O-])no1 ZINC001573549927 1026589239 /nfs/dbraw/zinc/58/92/39/1026589239.db2.gz HXHBBUYUPLTVFD-ZETCQYMHSA-N -1 0 319.339 -0.053 20 0 DBADRM C[C@H](Cn1ccnc1)NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573550103 1026589304 /nfs/dbraw/zinc/58/93/04/1026589304.db2.gz JBSPNZUWDHIQND-GMTAPVOTSA-N -1 0 311.342 -0.459 20 0 DBADRM C[C@H](CNC(=O)NC[C@]1(CO)COCCN1C)CC(=O)[O-] ZINC001573544143 1026589476 /nfs/dbraw/zinc/58/94/76/1026589476.db2.gz GAFZGRLQRDOSOU-GWCFXTLKSA-N -1 0 303.359 -0.911 20 0 DBADRM C[C@@H](CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001573545027 1026589760 /nfs/dbraw/zinc/58/97/60/1026589760.db2.gz YCXDJYMJQUGIFF-QMMMGPOBSA-N -1 0 317.342 -0.536 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)c1nc(C(=O)[O-])n[nH]1 ZINC001573551349 1026590036 /nfs/dbraw/zinc/59/00/36/1026590036.db2.gz SKRRDFIGLXBYHR-PHDIDXHHSA-N -1 0 304.328 -0.639 20 0 DBADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C(=O)[O-] ZINC001573553037 1026590112 /nfs/dbraw/zinc/59/01/12/1026590112.db2.gz JRCDBMFHIAGQPB-BIIVOSGPSA-N -1 0 316.358 -0.837 20 0 DBADRM C[C@@H](CS(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1CC1 ZINC001573560199 1026590774 /nfs/dbraw/zinc/59/07/74/1026590774.db2.gz RNDBUUSKKSUGGV-YIZRAAEISA-N -1 0 306.384 -0.070 20 0 DBADRM C[C@@](O)(CNC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C(=O)[O-] ZINC001573581155 1026595805 /nfs/dbraw/zinc/59/58/05/1026595805.db2.gz ILAXKKLDPFZPIK-KZFFXBSXSA-N -1 0 305.352 -0.706 20 0 DBADRM C[C@@H](NC(=O)c1ccnc2n[nH]nc21)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573559832 1026591302 /nfs/dbraw/zinc/59/13/02/1026591302.db2.gz KPHYBFDBVBXJKR-RITPCOANSA-N -1 0 306.282 -0.940 20 0 DBADRM C[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)c1nc(C(=O)[O-])n[nH]1 ZINC001573560134 1026591706 /nfs/dbraw/zinc/59/17/06/1026591706.db2.gz QITOIRXTYSXJAS-RITPCOANSA-N -1 0 302.312 -0.743 20 0 DBADRM C[C@@H](NC(=O)Cc1nnc(C2CC2)[nH]1)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573554314 1026592030 /nfs/dbraw/zinc/59/20/30/1026592030.db2.gz RYOKEXODGNQZIW-RQJHMYQMSA-N -1 0 309.326 -0.681 20 0 DBADRM C[C@@H](NC(=O)[C@H](C)NC(=O)c1cncc2[nH]cnc21)C(=O)[O-] ZINC001573560793 1026593324 /nfs/dbraw/zinc/59/33/24/1026593324.db2.gz XZABVXAQTXTRGP-NKWVEPMBSA-N -1 0 305.294 -0.335 20 0 DBADRM C[C@H](NC(=O)N1CCCN(C(=O)[O-])CC1)C1N=NC(=O)N1C ZINC001573562776 1026594384 /nfs/dbraw/zinc/59/43/84/1026594384.db2.gz OIGNYTDWPPIKFU-QMMMGPOBSA-N -1 0 312.330 -0.023 20 0 DBADRM C[C@H](NS(=O)(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)[O-] ZINC001573578541 1026595051 /nfs/dbraw/zinc/59/50/51/1026595051.db2.gz HCJXDKGVMHIAKX-LURJTMIESA-N -1 0 300.292 -0.231 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])nn1 ZINC001573581228 1026595243 /nfs/dbraw/zinc/59/52/43/1026595243.db2.gz JHOBOOWYNWTKKJ-IVZWLZJFSA-N -1 0 312.326 -0.530 20 0 DBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001573627281 1026603434 /nfs/dbraw/zinc/60/34/34/1026603434.db2.gz YMBUZCXWWQTLFD-QMMMGPOBSA-N -1 0 301.324 -0.546 20 0 DBADRM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](CC(=O)[O-])c1ccncc1 ZINC001573578526 1026595585 /nfs/dbraw/zinc/59/55/85/1026595585.db2.gz GWUZPIXMUAJOSI-SCZZXKLOSA-N -1 0 315.351 -0.349 20 0 DBADRM C[C@@](O)(CNC(=O)Cn1nnnc1-c1ccccc1)C(=O)[O-] ZINC001573580697 1026596403 /nfs/dbraw/zinc/59/64/03/1026596403.db2.gz FBZAOAUWASHRHE-CYBMUJFWSA-N -1 0 305.294 -0.708 20 0 DBADRM C[C@H](O)c1cn(CC(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])nn1 ZINC001573581227 1026596476 /nfs/dbraw/zinc/59/64/76/1026596476.db2.gz JHOBOOWYNWTKKJ-GUBZILKMSA-N -1 0 312.326 -0.530 20 0 DBADRM C[C@H](NS(C)(=O)=O)C(=O)Nc1ncc(CC(=O)[O-])s1 ZINC001573578993 1026596557 /nfs/dbraw/zinc/59/65/57/1026596557.db2.gz PBXYFVUQNPUEFD-YFKPBYRVSA-N -1 0 307.353 -0.354 20 0 DBADRM C[C@@H](CNC(=O)CCOC(=O)CNC(=O)C(C)(C)C)C(=O)[O-] ZINC001573592432 1026597107 /nfs/dbraw/zinc/59/71/07/1026597107.db2.gz YKBLQLUKHULVHZ-VIFPVBQESA-N -1 0 316.354 -0.081 20 0 DBADRM C[C@@H](c1nnnn1C)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001573590886 1026597679 /nfs/dbraw/zinc/59/76/79/1026597679.db2.gz YRIKPIMHMVTKCP-FFVOIRBGSA-N -1 0 301.372 -0.431 20 0 DBADRM C[C@](O)(CNC(=O)Nc1cccc2c1NC(=O)CO2)C(=O)[O-] ZINC001573584036 1026598172 /nfs/dbraw/zinc/59/81/72/1026598172.db2.gz YZYBFZULOWAHIT-ZDUSSCGKSA-N -1 0 309.278 -0.025 20 0 DBADRM C[C@@H](O)[C@H](O)CNC(=O)Nc1ccn2ncc(C(=O)[O-])c2c1 ZINC001573583051 1026598198 /nfs/dbraw/zinc/59/81/98/1026598198.db2.gz RNHOPWUWAQQZTJ-RDDDGLTNSA-N -1 0 308.294 -0.104 20 0 DBADRM C[C@@H](O)c1cn(CC(=O)NC[C@@]2(C(=O)[O-])CCCOC2)nn1 ZINC001573582279 1026598415 /nfs/dbraw/zinc/59/84/15/1026598415.db2.gz LYQOINULLIOLAY-RNCFNFMXSA-N -1 0 312.326 -0.671 20 0 DBADRM C[C@](O)(CNC(=O)C1CCC(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001573582919 1026598682 /nfs/dbraw/zinc/59/86/82/1026598682.db2.gz PSZHSIRTAHVBHC-KWPJZBAWSA-N -1 0 307.368 -0.458 20 0 DBADRM C[C@@](CO)(NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1ccc(O)cc1 ZINC001573601562 1026600789 /nfs/dbraw/zinc/60/07/89/1026600789.db2.gz OVHUUUUOOQKKCX-FZMZJTMJSA-N -1 0 308.290 -0.055 20 0 DBADRM C[C@]1(C(=O)[O-])CN(C(=O)c2cnc3c(c2)NC(=O)CO3)CCO1 ZINC001573606871 1026601337 /nfs/dbraw/zinc/60/13/37/1026601337.db2.gz ZJMWMSUDBHHZQI-CQSZACIVSA-N -1 0 321.289 -0.272 20 0 DBADRM C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CC1)c1nnc2c(=O)[nH]ccn21 ZINC001573611337 1026602028 /nfs/dbraw/zinc/60/20/28/1026602028.db2.gz SGKNDCUAGWBPDD-HTRCEHHLSA-N -1 0 305.294 -0.294 20 0 DBADRM C[C@]1(C2CCN(C(=O)[C@@H](O)CC(=O)[O-])CC2)COC(=O)N1 ZINC001573620458 1026603260 /nfs/dbraw/zinc/60/32/60/1026603260.db2.gz XNTNGBFUQFVRPB-TVQRCGJNSA-N -1 0 300.311 -0.441 20 0 DBADRM C[C@]1(NS(=O)(=O)C2(C(=O)[O-])CCC2)CCS(=O)(=O)C1 ZINC001573627244 1026603381 /nfs/dbraw/zinc/60/33/81/1026603381.db2.gz XKZBPDGTROUXLA-VIFPVBQESA-N -1 0 311.381 -0.510 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)[C@H](C)O1 ZINC001573633841 1026606702 /nfs/dbraw/zinc/60/67/02/1026606702.db2.gz CIYXWWMLNGLHKP-ORMBPQIASA-N -1 0 301.343 -0.178 20 0 DBADRM C[C@@H](O)c1cn(C2CN(C(=O)c3cc(C(=O)[O-])n[nH]3)C2)nn1 ZINC001573633990 1026606715 /nfs/dbraw/zinc/60/67/15/1026606715.db2.gz FQUCPPWOBDSCNG-ZCFIWIBFSA-N -1 0 306.282 -0.550 20 0 DBADRM C[C@@H]1C[C@H](CS(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC001573635782 1026606779 /nfs/dbraw/zinc/60/67/79/1026606779.db2.gz ZQSTZKPXOOQDTQ-GMTAPVOTSA-N -1 0 307.368 -0.083 20 0 DBADRM C[C@@H]1C[C@@H](CS(=O)(=O)N(CC(N)=O)CC(=O)[O-])CCO1 ZINC001573635180 1026607491 /nfs/dbraw/zinc/60/74/91/1026607491.db2.gz WJHLMJZTZBAERQ-BDAKNGLRSA-N -1 0 308.356 -0.997 20 0 DBADRM C[C@@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)N[C@@H]1COC(=O)C1 ZINC001573655740 1026608506 /nfs/dbraw/zinc/60/85/06/1026608506.db2.gz ZDWYNICOXLEYEI-SFYZADRCSA-N -1 0 308.294 -0.190 20 0 DBADRM C[C@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)[C@@H](O)c1cnn(C)c1 ZINC001573653865 1026609298 /nfs/dbraw/zinc/60/92/98/1026609298.db2.gz DPQFFMLLVYRWJY-UFBFGSQYSA-N -1 0 319.321 -0.221 20 0 DBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573662148 1026610794 /nfs/dbraw/zinc/61/07/94/1026610794.db2.gz TWTGTGWQGANBQF-JXUBOQSCSA-N -1 0 308.356 -0.946 20 0 DBADRM CC[C@H](C)C[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)C(=O)[O-] ZINC001573672543 1026614671 /nfs/dbraw/zinc/61/46/71/1026614671.db2.gz JHDQFIZDCXZADA-ONGXEEELSA-N -1 0 313.354 -0.037 20 0 DBADRM CC[C@H](C)C[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C(=O)[O-] ZINC001573674045 1026615663 /nfs/dbraw/zinc/61/56/63/1026615663.db2.gz RJYGERGXWVYMJS-KXMNOHPDSA-N -1 0 301.339 -0.595 20 0 DBADRM CC1(C)CN(C(=O)c2cn(CC(=O)[O-])nn2)[C@@H]2COC[C@H]2O1 ZINC001573676485 1026615832 /nfs/dbraw/zinc/61/58/32/1026615832.db2.gz ZPNQFMXYGLDYPT-NXEZZACHSA-N -1 0 310.310 -0.619 20 0 DBADRM CC1(C)CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C[C@@H]1O ZINC001573675803 1026616081 /nfs/dbraw/zinc/61/60/81/1026616081.db2.gz PWSUUPIXZBROLI-VIFPVBQESA-N -1 0 319.379 -0.505 20 0 DBADRM C[C@@]1(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCC(=O)N1 ZINC001573684192 1026618879 /nfs/dbraw/zinc/61/88/79/1026618879.db2.gz KQWCXHNATOUMHK-XPTSAGLGSA-N -1 0 311.338 -0.906 20 0 DBADRM C[C@@H]1C[C@H](NC(=O)NCCOCCOCC(=O)[O-])C(=O)O1 ZINC001573699716 1026619969 /nfs/dbraw/zinc/61/99/69/1026619969.db2.gz AJTACPRBWMBMSK-BDAKNGLRSA-N -1 0 304.299 -0.893 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@H](C)CS(C)(=O)=O ZINC001573724076 1026623403 /nfs/dbraw/zinc/62/34/03/1026623403.db2.gz CVRBJNPKGZVCES-HTQZYQBOSA-N -1 0 301.386 -0.408 20 0 DBADRM CC[C@H](O)Cn1cc(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)nn1 ZINC001573709223 1026623286 /nfs/dbraw/zinc/62/32/86/1026623286.db2.gz GGYNLKFWDDJAEV-ZJUUUORDSA-N -1 0 311.342 -0.079 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@@H](CO)[C@H]1CCCOC1 ZINC001573724641 1026625066 /nfs/dbraw/zinc/62/50/66/1026625066.db2.gz OIEUPFMMOIJFGD-GARJFASQSA-N -1 0 309.384 -0.053 20 0 DBADRM CCC[C@H](CNC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O)C(=O)[O-] ZINC001573729786 1026625417 /nfs/dbraw/zinc/62/54/17/1026625417.db2.gz YYBLCKCWJZGSRR-FBIMIBRVSA-N -1 0 300.355 -0.121 20 0 DBADRM CCC[C@H](C(=O)[O-])S(=O)(=O)N[C@@H]1CCN(C(=O)NCC)C1 ZINC001573725415 1026625532 /nfs/dbraw/zinc/62/55/32/1026625532.db2.gz ZWDHYPWCIDKJSA-NXEZZACHSA-N -1 0 321.399 -0.037 20 0 DBADRM CCC[C@@H](C(=O)[O-])S(=O)(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001573724650 1026625636 /nfs/dbraw/zinc/62/56/36/1026625636.db2.gz OMLLNISSBBPLGB-UTLUCORTSA-N -1 0 320.367 0.000 20 0 DBADRM CCCN(C(=O)CN1CCS(=O)(=O)CC1)[C@H](C)C(=O)[O-] ZINC001573744093 1026627537 /nfs/dbraw/zinc/62/75/37/1026627537.db2.gz OMXRRZIKPNISFQ-SNVBAGLBSA-N -1 0 306.384 -0.572 20 0 DBADRM C[C@@H]1OCC[C@]1(C)NC(=O)NCCOCCOCC(=O)[O-] ZINC001573758029 1026627750 /nfs/dbraw/zinc/62/77/50/1026627750.db2.gz MJILVHNBEVUREJ-GWCFXTLKSA-N -1 0 304.343 -0.029 20 0 DBADRM CCCNC(=O)Cc1csc(NC(=O)[C@@H](O)CC(=O)[O-])n1 ZINC001573760897 1026627905 /nfs/dbraw/zinc/62/79/05/1026627905.db2.gz WWXATGQOVNMSBV-QMMMGPOBSA-N -1 0 315.351 -0.014 20 0 DBADRM CCCC[C@H](NC(N)=O)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001573733905 1026628043 /nfs/dbraw/zinc/62/80/43/1026628043.db2.gz PQFHXVQXZIZTTP-VGMNWLOBSA-N -1 0 316.358 -0.693 20 0 DBADRM CCN(C)C(=O)Cn1c(C)nnc1N1CCN(C(=O)[O-])CC1 ZINC001573770145 1026630076 /nfs/dbraw/zinc/63/00/76/1026630076.db2.gz MVKCCTVZKDJXEO-UHFFFAOYSA-N -1 0 310.358 -0.135 20 0 DBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC001573768616 1026630446 /nfs/dbraw/zinc/63/04/46/1026630446.db2.gz WDEACOSFZQAKAD-ZETCQYMHSA-N -1 0 305.312 -0.320 20 0 DBADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)NC(C)(C)C(N)=O ZINC001573779098 1026633262 /nfs/dbraw/zinc/63/32/62/1026633262.db2.gz YDYGCFPCOUUSQA-ZETCQYMHSA-N -1 0 317.342 -0.266 20 0 DBADRM CCNC(=O)NC(=O)CS[C@H](CC(=O)[O-])C(=O)OCC ZINC001573781352 1026633513 /nfs/dbraw/zinc/63/35/13/1026633513.db2.gz GNBGCZZZACRHFF-SSDOTTSWSA-N -1 0 306.340 -0.028 20 0 DBADRM CCOC(=O)C[C@H](O)C(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC001573786385 1026634268 /nfs/dbraw/zinc/63/42/68/1026634268.db2.gz QGZBBDPMCXAGCZ-ZANVPECISA-N -1 0 303.311 -0.702 20 0 DBADRM CCOC(=O)CC1(S(=O)(=O)NC2(CC(=O)[O-])COC2)CC1 ZINC001573786707 1026634284 /nfs/dbraw/zinc/63/42/84/1026634284.db2.gz YMQWXINQPGROJH-UHFFFAOYSA-N -1 0 321.351 -0.365 20 0 DBADRM CCOC(=O)C[C@@H](C)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573786755 1026634465 /nfs/dbraw/zinc/63/44/65/1026634465.db2.gz ZXMRGBBJWPQYNU-SSDOTTSWSA-N -1 0 319.339 -0.025 20 0 DBADRM CCOC(=O)[C@@H]1CCCN(C(=O)Cn2ncc(C(=O)[O-])n2)C1 ZINC001573786122 1026634869 /nfs/dbraw/zinc/63/48/69/1026634869.db2.gz JBEVPLRHUKIGQV-SECBINFHSA-N -1 0 310.310 -0.222 20 0 DBADRM CCO[C@@H](C)c1noc(CN(C)C(=O)[C@H](O)CC(=O)[O-])n1 ZINC001573796745 1026636902 /nfs/dbraw/zinc/63/69/02/1026636902.db2.gz VMJVEOJIUVJTOJ-JGVFFNPUSA-N -1 0 301.299 -0.039 20 0 DBADRM CCOC(=O)c1nc[nH]c1CNS(=O)(=O)CCC(=O)[O-] ZINC001573792484 1026637129 /nfs/dbraw/zinc/63/71/29/1026637129.db2.gz ZXRDGZSWIONFRB-UHFFFAOYSA-N -1 0 305.312 -0.520 20 0 DBADRM CCO[C@H](C)c1noc(CN(C)C(=O)[C@@H](O)CC(=O)[O-])n1 ZINC001573796746 1026637205 /nfs/dbraw/zinc/63/72/05/1026637205.db2.gz VMJVEOJIUVJTOJ-SFYZADRCSA-N -1 0 301.299 -0.039 20 0 DBADRM CCS(=O)(=O)N(C)CC(=O)Nc1onc(C(=O)[O-])c1C ZINC001573807621 1026638243 /nfs/dbraw/zinc/63/82/43/1026638243.db2.gz QEJMNXIOTVEMIM-UHFFFAOYSA-N -1 0 305.312 -0.099 20 0 DBADRM CC[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@]1(F)C(=O)[O-] ZINC001573823686 1026638742 /nfs/dbraw/zinc/63/87/42/1026638742.db2.gz CAQMARSYCJAUQP-WPPNPWJKSA-N -1 0 313.285 -0.239 20 0 DBADRM CCS(=O)(=O)CC(=O)N1CCC[C@H]1c1n[nH]nc1C(=O)[O-] ZINC001573807772 1026639440 /nfs/dbraw/zinc/63/94/40/1026639440.db2.gz YHYRUFWHDUXBIS-ZETCQYMHSA-N -1 0 316.339 -0.399 20 0 DBADRM CC[C@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)[C@@H](C)O ZINC001573811256 1026639452 /nfs/dbraw/zinc/63/94/52/1026639452.db2.gz WRMVDJYWHJGTFB-BDAKNGLRSA-N -1 0 307.368 -0.458 20 0 DBADRM CCc1ncc(C(=O)[O-])c(NC[C@@H](O)CS(C)(=O)=O)n1 ZINC001573838320 1026642028 /nfs/dbraw/zinc/64/20/28/1026642028.db2.gz XOGSPBOQTGEXBG-SSDOTTSWSA-N -1 0 303.340 -0.445 20 0 DBADRM CCc1ncc(C(=O)[O-])c(N2CCCN(CC(N)=O)CC2)n1 ZINC001573838038 1026640784 /nfs/dbraw/zinc/64/07/84/1026640784.db2.gz SWYDJHXPDQJDOJ-UHFFFAOYSA-N -1 0 307.354 -0.265 20 0 DBADRM CCc1nc2c(nccc2C(=O)N(CC(N)=O)CC(=O)[O-])[nH]1 ZINC001573837202 1026640906 /nfs/dbraw/zinc/64/09/06/1026640906.db2.gz FKQASXRNMIBJID-UHFFFAOYSA-N -1 0 305.294 -0.468 20 0 DBADRM CCc1ncc(C(=O)[O-])c(N2CCC[C@H](S(N)(=O)=O)C2)n1 ZINC001573837631 1026641223 /nfs/dbraw/zinc/64/12/23/1026641223.db2.gz LKGOCXAZOFVYRY-QMMMGPOBSA-N -1 0 314.367 -0.006 20 0 DBADRM CCc1ncc(C(=O)[O-])c(N2CC3(C2)C[C@@H](O)CNC3=O)n1 ZINC001573837061 1026641296 /nfs/dbraw/zinc/64/12/96/1026641296.db2.gz CHWUFOQXEFMAMZ-MRVPVSSYSA-N -1 0 306.322 -0.576 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)N2CC(S(C)(=O)=O)C2)n1 ZINC001573846692 1026641393 /nfs/dbraw/zinc/64/13/93/1026641393.db2.gz GTYDPJJTJYPVHJ-UHFFFAOYSA-N -1 0 316.339 -0.138 20 0 DBADRM CCn1cnnc1CNC(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC001573847245 1026641724 /nfs/dbraw/zinc/64/17/24/1026641724.db2.gz KXVRQKJUPKAWHI-ZDUSSCGKSA-N -1 0 311.342 -0.021 20 0 DBADRM CCn1cc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)nn1 ZINC001573845238 1026641952 /nfs/dbraw/zinc/64/19/52/1026641952.db2.gz YTXCUOLSTRKDMH-WDEREUQCSA-N -1 0 305.294 -0.390 20 0 DBADRM CCn1cc(C(=O)[O-])c(NC(=O)C2CN(S(C)(=O)=O)C2)n1 ZINC001573844821 1026642003 /nfs/dbraw/zinc/64/20/03/1026642003.db2.gz OVBVRMMHLUPEHY-UHFFFAOYSA-N -1 0 316.339 -0.569 20 0 DBADRM CN(C(=O)CCCS(N)(=O)=O)c1ncc(CC(=O)[O-])s1 ZINC001573853077 1026643580 /nfs/dbraw/zinc/64/35/80/1026643580.db2.gz VVRXRGVCEAQLAP-UHFFFAOYSA-N -1 0 321.380 -0.198 20 0 DBADRM CN(C(=O)Cn1cnc(C(N)=O)n1)[C@H](C(=O)[O-])c1cccnc1 ZINC001573852525 1026642576 /nfs/dbraw/zinc/64/25/76/1026642576.db2.gz NLSRWLNMZIHPPM-JTQLQIEISA-N -1 0 318.293 -0.944 20 0 DBADRM CN(CC(=O)N(C)[C@@H](C(=O)[O-])c1cccnc1)S(C)(=O)=O ZINC001573853092 1026642608 /nfs/dbraw/zinc/64/26/08/1026642608.db2.gz WDSKBHISHQDHAL-LLVKDONJSA-N -1 0 315.351 -0.443 20 0 DBADRM CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)N1CCS(=O)(=O)CC1 ZINC001573856381 1026642931 /nfs/dbraw/zinc/64/29/31/1026642931.db2.gz MFJDBCXFFJFQSR-VHSXEESVSA-N -1 0 304.368 -0.409 20 0 DBADRM CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)c1cccc(CC(=O)[O-])c1 ZINC001573850135 1026643384 /nfs/dbraw/zinc/64/33/84/1026643384.db2.gz FHYINLGWJOQDKS-UMVBOHGHSA-N -1 0 321.329 -0.311 20 0 DBADRM CN(C)C(=O)CNC(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001573859071 1026643760 /nfs/dbraw/zinc/64/37/60/1026643760.db2.gz PDRYQLWNYSXUQC-NRFANRHFSA-N -1 0 319.383 -0.918 20 0 DBADRM CN(C)C(=O)OCCN1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001573859440 1026644908 /nfs/dbraw/zinc/64/49/08/1026644908.db2.gz UYANZVLYSWEVTN-HXUWFJFHSA-N -1 0 306.384 -0.018 20 0 DBADRM CN(C1CCOCC1)S(=O)(=O)NCc1cc(C(=O)[O-])no1 ZINC001573864576 1026644693 /nfs/dbraw/zinc/64/46/93/1026644693.db2.gz JPGNNHUCUIHOAK-UHFFFAOYSA-N -1 0 319.339 -0.182 20 0 DBADRM CN(C)C(=O)[C@@H]1CCN(C(=O)NCc2cc(C(=O)[O-])no2)C1 ZINC001573859529 1026644886 /nfs/dbraw/zinc/64/48/86/1026644886.db2.gz XYDRANYHQPBAGL-MRVPVSSYSA-N -1 0 310.310 -0.008 20 0 DBADRM CN(C)C(=O)OCCN1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001573859439 1026645008 /nfs/dbraw/zinc/64/50/08/1026645008.db2.gz UYANZVLYSWEVTN-FQEVSTJZSA-N -1 0 306.384 -0.018 20 0 DBADRM CN([C@]1(CO)CCOC1)S(=O)(=O)Cc1cc(C(=O)[O-])no1 ZINC001573864686 1026645412 /nfs/dbraw/zinc/64/54/12/1026645412.db2.gz AQGTYRVHPYCWIP-NSHDSACASA-N -1 0 320.323 -0.714 20 0 DBADRM CN(C)S(=O)(=O)NCC(=O)Nc1cn(C)cc1C(=O)[O-] ZINC001573863573 1026645444 /nfs/dbraw/zinc/64/54/44/1026645444.db2.gz FBKWLEDXNYIQHZ-UHFFFAOYSA-N -1 0 304.328 -0.942 20 0 DBADRM CN(CC(=O)[O-])C(=O)CN1CCC(O)(c2ccnn2C)CC1 ZINC001573864493 1026645543 /nfs/dbraw/zinc/64/55/43/1026645543.db2.gz GQJMQCKHLMSWAV-UHFFFAOYSA-N -1 0 310.354 -0.754 20 0 DBADRM CCCS(=O)(=O)CC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001573861878 1026645636 /nfs/dbraw/zinc/64/56/36/1026645636.db2.gz GXQQLGWNPYIMLY-CABZTGNLSA-N -1 0 305.352 -0.629 20 0 DBADRM CN(C)C(=O)Cn1cc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])nn1 ZINC001573859519 1026645852 /nfs/dbraw/zinc/64/58/52/1026645852.db2.gz XOULYWWFAFUZIT-SBMIAAHKSA-N -1 0 321.337 -0.556 20 0 DBADRM CN(CC(=O)[O-])C(=O)CN1CCC(O)(c2nccn2C)CC1 ZINC001573864808 1026646064 /nfs/dbraw/zinc/64/60/64/1026646064.db2.gz NJAJSPYWLAPQQX-UHFFFAOYSA-N -1 0 310.354 -0.754 20 0 DBADRM CN(C)c1n[nH]c(CNC(=O)Nc2nn(C)cc2C(=O)[O-])n1 ZINC001573865242 1026646875 /nfs/dbraw/zinc/64/68/75/1026646875.db2.gz KTGSKYQJDJOTSQ-UHFFFAOYSA-N -1 0 308.302 -0.376 20 0 DBADRM CN(CCS(N)(=O)=O)C(=O)Nc1cn(C)cc1C(=O)[O-] ZINC001573872394 1026646985 /nfs/dbraw/zinc/64/69/85/1026646985.db2.gz AAFMIOCWRSPGJZ-UHFFFAOYSA-N -1 0 304.328 -0.525 20 0 DBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573870492 1026647134 /nfs/dbraw/zinc/64/71/34/1026647134.db2.gz QFXPROWOFUSRNP-XQQFMLRXSA-N -1 0 314.382 -0.361 20 0 DBADRM CN(C)c1ccc2nnc(CNC(=O)CCNC(=O)[O-])n2n1 ZINC001573866119 1026647445 /nfs/dbraw/zinc/64/74/45/1026647445.db2.gz ZEQKQTNKHIARQU-UHFFFAOYSA-N -1 0 307.314 -0.536 20 0 DBADRM CN(CCC(=O)N(CC(N)=O)CC(=O)[O-])C(=O)OC(C)(C)C ZINC001573869558 1026647597 /nfs/dbraw/zinc/64/75/97/1026647597.db2.gz DBYHEFBYCSLWAJ-UHFFFAOYSA-N -1 0 317.342 -0.358 20 0 DBADRM CN(CC(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccnc1)C(=O)C1CC1 ZINC001573865352 1026647658 /nfs/dbraw/zinc/64/76/58/1026647658.db2.gz VDRHNQOSGRCMLO-QWHCGFSZSA-N -1 0 321.333 -0.447 20 0 DBADRM CN(CCC(=O)[O-])C(=O)Nc1ccc(S(C)(=O)=O)nn1 ZINC001573869515 1026647856 /nfs/dbraw/zinc/64/78/56/1026647856.db2.gz CCJXWSPYPHACOJ-UHFFFAOYSA-N -1 0 302.312 -0.182 20 0 DBADRM CN([C@H]1CC(C)(C)OC1=O)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573865587 1026648144 /nfs/dbraw/zinc/64/81/44/1026648144.db2.gz NJRJOIBFWBDORO-ZETCQYMHSA-N -1 0 317.323 -0.178 20 0 DBADRM CN([C@@H]1COC[C@H]1O)S(=O)(=O)[C@@H](CC(=O)[O-])C(F)(F)F ZINC001573882679 1026649638 /nfs/dbraw/zinc/64/96/38/1026649638.db2.gz LZTAFJOUIOLWNB-QYNIQEEDSA-N -1 0 321.273 -0.587 20 0 DBADRM CN1C[C@@H](C(=O)N2CCC[C@@H]2c2n[nH]nc2C(=O)[O-])NC1=O ZINC001573883318 1026649645 /nfs/dbraw/zinc/64/96/45/1026649645.db2.gz UPBNRGNMHNHHPN-NKWVEPMBSA-N -1 0 308.298 -0.810 20 0 DBADRM CN1C[C@H](C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccncc2)CC1=O ZINC001573883154 1026650126 /nfs/dbraw/zinc/65/01/26/1026650126.db2.gz PAXDSVZKEHEPRM-JLLWLGSASA-N -1 0 307.306 -0.837 20 0 DBADRM CN(Cc1cnc2c(C(=O)[O-])cnn2c1)CC(C)(CO)CO ZINC001573877064 1026650547 /nfs/dbraw/zinc/65/05/47/1026650547.db2.gz ALYNKBOTQWRMCJ-UHFFFAOYSA-N -1 0 308.338 -0.150 20 0 DBADRM CN1CCN(C(=O)c2ccnc3c(C(=O)[O-])cnn32)C[C@@H]1CO ZINC001573884319 1026650769 /nfs/dbraw/zinc/65/07/69/1026650769.db2.gz CPJAAGCJEUMOHI-SECBINFHSA-N -1 0 319.321 -0.824 20 0 DBADRM CN1CCO[C@H](CS(=O)(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001573886014 1026652479 /nfs/dbraw/zinc/65/24/79/1026652479.db2.gz XYKSJTWSZVCOOO-TUAOUCFPSA-N -1 0 320.411 -0.120 20 0 DBADRM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573889150 1026652824 /nfs/dbraw/zinc/65/28/24/1026652824.db2.gz CLKIIWYDLWZHHN-HTRCEHHLSA-N -1 0 316.339 -0.699 20 0 DBADRM CN1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])C[C@@H]1CO ZINC001573885191 1026652867 /nfs/dbraw/zinc/65/28/67/1026652867.db2.gz OEWKBWUQFZTFMA-SNVBAGLBSA-N -1 0 314.363 -0.318 20 0 DBADRM CN1CCN(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC001573884876 1026652957 /nfs/dbraw/zinc/65/29/57/1026652957.db2.gz MFXBAJYAMQFWOZ-UHFFFAOYSA-N -1 0 313.379 -0.033 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)NC[C@@H](C)CC(=O)[O-] ZINC001573890756 1026654465 /nfs/dbraw/zinc/65/44/65/1026654465.db2.gz WXRHOZCVGOZOIW-UWVGGRQHSA-N -1 0 316.358 -0.563 20 0 DBADRM CNC(=O)Cn1cnc(NC(=O)[C@H]2CSCN2C(=O)[O-])n1 ZINC001573889917 1026654657 /nfs/dbraw/zinc/65/46/57/1026654657.db2.gz CYPQYCCGRTWRAX-ZCFIWIBFSA-N -1 0 314.327 -0.985 20 0 DBADRM CNC(=O)N[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC001573890808 1026654830 /nfs/dbraw/zinc/65/48/30/1026654830.db2.gz XSJMQEJJRWUSKM-HTQZYQBOSA-N -1 0 302.356 -0.431 20 0 DBADRM CNC(=O)CCCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccncc1 ZINC001573890153 1026655186 /nfs/dbraw/zinc/65/51/86/1026655186.db2.gz IVIAYJBVNGGIKL-STQMWFEESA-N -1 0 309.322 -0.399 20 0 DBADRM CNC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC001573889966 1026655552 /nfs/dbraw/zinc/65/55/52/1026655552.db2.gz FFJOYTPDZLVJTM-IUCAKERBSA-N -1 0 316.383 -0.041 20 0 DBADRM COC(=O)[C@H](CC(F)F)NS(=O)(=O)CCCC(=O)[O-] ZINC001573907097 1026657144 /nfs/dbraw/zinc/65/71/44/1026657144.db2.gz LAVRXBOOWRAAMN-LURJTMIESA-N -1 0 303.283 -0.033 20 0 DBADRM CNC(=O)c1n[nH]nc1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001573896672 1026657676 /nfs/dbraw/zinc/65/76/76/1026657676.db2.gz QGDJEPKVBBBXMC-UHFFFAOYSA-N -1 0 310.314 -0.117 20 0 DBADRM CNS(=O)(=O)[C@H]1CCCN(Cc2nc(C(=O)[O-])no2)C1 ZINC001573902646 1026658423 /nfs/dbraw/zinc/65/84/23/1026658423.db2.gz CVRMADMLGXRCLT-ZETCQYMHSA-N -1 0 304.328 -0.719 20 0 DBADRM CNS(=O)(=O)NC1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001573910985 1026659773 /nfs/dbraw/zinc/65/97/73/1026659773.db2.gz XIWRYKCPMYQFOO-VHSXEESVSA-N -1 0 319.383 -0.858 20 0 DBADRM CNc1nnc(CC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)s1 ZINC001573910709 1026660123 /nfs/dbraw/zinc/66/01/23/1026660123.db2.gz STDKJVUCHIJPJV-NKWVEPMBSA-N -1 0 315.355 -0.791 20 0 DBADRM COC(=O)[C@H](C)CS(=O)(=O)NCc1cc(C(=O)[O-])no1 ZINC001573908269 1026660137 /nfs/dbraw/zinc/66/01/37/1026660137.db2.gz WGDVHDFIMDSPRT-ZCFIWIBFSA-N -1 0 306.296 -0.399 20 0 DBADRM CNc1nnc(CC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)s1 ZINC001573910710 1026660183 /nfs/dbraw/zinc/66/01/83/1026660183.db2.gz STDKJVUCHIJPJV-RNFRBKRXSA-N -1 0 315.355 -0.791 20 0 DBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001573908661 1026660190 /nfs/dbraw/zinc/66/01/90/1026660190.db2.gz ZYNCHZRVIOXJCB-QCLAVDOMSA-N -1 0 305.352 -0.222 20 0 DBADRM COC(=O)[C@]1(CNC(=O)[C@H]2CSCN2C(=O)[O-])CCOC1 ZINC001573914964 1026661330 /nfs/dbraw/zinc/66/13/30/1026661330.db2.gz DAUSDAZVVVBLHP-PELKAZGASA-N -1 0 318.351 -0.265 20 0 DBADRM COC(=O)C1(CN2CCC(C(=O)[O-])(S(C)(=O)=O)CC2)CC1 ZINC001573914707 1026661596 /nfs/dbraw/zinc/66/15/96/1026661596.db2.gz AXLBXTWITUCJRG-UHFFFAOYSA-N -1 0 319.379 -0.097 20 0 DBADRM COC(=O)C[C@H](O)CNC(=O)N[C@H](CC(=O)[O-])C(F)(F)F ZINC001573914490 1026661750 /nfs/dbraw/zinc/66/17/50/1026661750.db2.gz LHQSARLFCGOMBI-NTSWFWBYSA-N -1 0 316.232 -0.385 20 0 DBADRM COC(=O)C[C@](C)(NC(=O)[C@@H](O)CC(=O)[O-])c1cccnc1 ZINC001573914153 1026661952 /nfs/dbraw/zinc/66/19/52/1026661952.db2.gz FYUQRYNUFBDXQV-HZMBPMFUSA-N -1 0 310.306 -0.188 20 0 DBADRM COC(=O)[C@H]1CCN1S(=O)(=O)Cc1cc(C(=O)[O-])no1 ZINC001573915812 1026662712 /nfs/dbraw/zinc/66/27/12/1026662712.db2.gz ZUOQHOJBBMMLOW-MRVPVSSYSA-N -1 0 304.280 -0.550 20 0 DBADRM COC(=O)[C@]1(CNS(=O)(=O)C2(C(=O)[O-])CCC2)CCOC1 ZINC001573916872 1026663067 /nfs/dbraw/zinc/66/30/67/1026663067.db2.gz ZICZXYSRTYWLRU-NSHDSACASA-N -1 0 321.351 -0.507 20 0 DBADRM COC(=O)[C@]1(O)CCN(C(=O)c2ccc(C(=O)[O-])c(C)n2)C1 ZINC001573916699 1026663279 /nfs/dbraw/zinc/66/32/79/1026663279.db2.gz VYXGBRFLYKXCCO-AWEZNQCLSA-N -1 0 308.290 -0.162 20 0 DBADRM COC(=O)[C@@]1(CNC(=O)[C@@H](NC(=O)[O-])C(C)C)CCOC1 ZINC001573915761 1026663600 /nfs/dbraw/zinc/66/36/00/1026663600.db2.gz JQMUBBWWPWHVJY-TVQRCGJNSA-N -1 0 302.327 -0.026 20 0 DBADRM COC(=O)N(C)CCNC(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC001573922322 1026665315 /nfs/dbraw/zinc/66/53/15/1026665315.db2.gz LPZWJTAOCFXFRT-ZDUSSCGKSA-N -1 0 317.342 -0.135 20 0 DBADRM COC(=O)[C@@H](F)CNC(=O)Nc1nnc(CC(=O)[O-])s1 ZINC001573926387 1026665327 /nfs/dbraw/zinc/66/53/27/1026665327.db2.gz WVDXQPGNEIXTAZ-BYPYZUCNSA-N -1 0 306.275 -0.202 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573921953 1026665811 /nfs/dbraw/zinc/66/58/11/1026665811.db2.gz VTPUWTWSVKWKIW-IVZWLZJFSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)NCCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001573926445 1026665892 /nfs/dbraw/zinc/66/58/92/1026665892.db2.gz YSEYKKDPOKELNK-QWRGUYRKSA-N -1 0 311.294 -0.570 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](C(=O)NCCn2cnc(C(=O)[O-])c2)O1 ZINC001573931419 1026667079 /nfs/dbraw/zinc/66/70/79/1026667079.db2.gz WEMZHNDPJDYZFE-ZJUUUORDSA-N -1 0 311.294 -0.582 20 0 DBADRM COC(=O)[C@@H]1CC[C@H](NC(=O)Nc2ncn(CC(=O)[O-])n2)C1 ZINC001573931455 1026667348 /nfs/dbraw/zinc/66/73/48/1026667348.db2.gz WWPQDQUEPBOAGV-SFYZADRCSA-N -1 0 311.298 -0.174 20 0 DBADRM COC(=O)[C@@H](O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC001573927462 1026667662 /nfs/dbraw/zinc/66/76/62/1026667662.db2.gz AVTBZLSRRFQAMQ-MNOVXSKESA-N -1 0 310.306 -0.485 20 0 DBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C1 ZINC001573934688 1026667924 /nfs/dbraw/zinc/66/79/24/1026667924.db2.gz ACLSYALFAAKAFO-NZHYYXIDSA-N -1 0 317.363 -0.080 20 0 DBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001573935360 1026668901 /nfs/dbraw/zinc/66/89/01/1026668901.db2.gz SBWJRVHJHGOQMT-JYFUKTADSA-N -1 0 317.363 -0.380 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])n[nH]1 ZINC001573938040 1026669199 /nfs/dbraw/zinc/66/91/99/1026669199.db2.gz IDYIRHPMVZPDJS-LURJTMIESA-N -1 0 321.336 -0.656 20 0 DBADRM COC(=O)[C@@]1(NC(=O)CC2(C(=O)[O-])CCOCC2)C[C@H](O)C1 ZINC001573935263 1026669286 /nfs/dbraw/zinc/66/92/86/1026669286.db2.gz NAHPHSCYTNVTMD-DEZZCRIOSA-N -1 0 315.322 -0.559 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)n(C)c1 ZINC001573938760 1026669294 /nfs/dbraw/zinc/66/92/94/1026669294.db2.gz QHNHDJJIUUWIFB-SNVBAGLBSA-N -1 0 316.335 -0.047 20 0 DBADRM COC(=O)[C@@H]1O[C@@H](C(=O)N[C@H](CSC)C(=O)[O-])C[C@H]1C ZINC001573935558 1026670041 /nfs/dbraw/zinc/67/00/41/1026670041.db2.gz XCOLPXUFMKLIPK-FNCVBFRFSA-N -1 0 305.352 -0.115 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC001573942840 1026672145 /nfs/dbraw/zinc/67/21/45/1026672145.db2.gz UGOJDXORLBYUCY-PHDIDXHHSA-N -1 0 305.312 -0.416 20 0 DBADRM COC(=O)c1cccn(CC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c1=O ZINC001573943642 1026672157 /nfs/dbraw/zinc/67/21/57/1026672157.db2.gz YGTJHCJXYMQGKC-SNVBAGLBSA-N -1 0 320.301 -0.076 20 0 DBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)CC(=O)[O-])n[nH]1 ZINC001573940824 1026672219 /nfs/dbraw/zinc/67/22/19/1026672219.db2.gz SAFNFDGTPWFRCD-LURJTMIESA-N -1 0 305.312 -0.415 20 0 DBADRM COC(=O)c1cnn(C)c1NC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001573947875 1026672285 /nfs/dbraw/zinc/67/22/85/1026672285.db2.gz MNIGGGXHTMLRKS-LLVKDONJSA-N -1 0 300.271 -0.836 20 0 DBADRM COC(=O)c1cccn(CC(=O)N[C@H]2CC=C(C(=O)[O-])C2)c1=O ZINC001573943641 1026672357 /nfs/dbraw/zinc/67/23/57/1026672357.db2.gz YGTJHCJXYMQGKC-JTQLQIEISA-N -1 0 320.301 -0.076 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC001573942844 1026672428 /nfs/dbraw/zinc/67/24/28/1026672428.db2.gz UGOJDXORLBYUCY-WDSKDSINSA-N -1 0 305.312 -0.416 20 0 DBADRM COC1(C(=O)Nc2nc(C(=O)[O-])cs2)CS(=O)(=O)C1 ZINC001573947745 1026672473 /nfs/dbraw/zinc/67/24/73/1026672473.db2.gz CKPRQRMJZLUKJK-UHFFFAOYSA-N -1 0 306.321 -0.407 20 0 DBADRM COC1(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)CS(=O)(=O)C1 ZINC001573949212 1026673331 /nfs/dbraw/zinc/67/33/31/1026673331.db2.gz OZIFNKROOPFVEZ-ZETCQYMHSA-N -1 0 319.257 -0.678 20 0 DBADRM CO[C@@]1(C(=O)Nc2onc(C(=O)[O-])c2C)CCS(=O)(=O)C1 ZINC001573955434 1026673530 /nfs/dbraw/zinc/67/35/30/1026673530.db2.gz YPFLQPDRYCVNCG-NSHDSACASA-N -1 0 318.307 -0.177 20 0 DBADRM COC(=O)c1ncccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001573948441 1026673795 /nfs/dbraw/zinc/67/37/95/1026673795.db2.gz RTGGJRSTBVFTJC-MRVPVSSYSA-N -1 0 314.319 -0.037 20 0 DBADRM CO[C@@H]1CN(C(=O)Nc2ncn(CC(=O)[O-])n2)[C@](C)(CO)C1 ZINC001573956146 1026673832 /nfs/dbraw/zinc/67/38/32/1026673832.db2.gz AFKBXQDVJVYCRC-UFBFGSQYSA-N -1 0 313.314 -0.634 20 0 DBADRM COC1(C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C(=O)[O-])CCC1 ZINC001573952556 1026674131 /nfs/dbraw/zinc/67/41/31/1026674131.db2.gz ASMNMFJWKZXWTO-KXUCPTDWSA-N -1 0 314.338 -0.452 20 0 DBADRM CO[C@]1(C(=O)NCc2cc(C(=O)[O-])no2)CCS(=O)(=O)C1 ZINC001573950271 1026674242 /nfs/dbraw/zinc/67/42/42/1026674242.db2.gz ZUVWNRCVURTADD-LLVKDONJSA-N -1 0 318.307 -0.807 20 0 DBADRM CO[C@H](CNC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO)C(C)C ZINC001573948639 1026674289 /nfs/dbraw/zinc/67/42/89/1026674289.db2.gz KKJVSFDGPKJXNG-GMTAPVOTSA-N -1 0 303.359 -0.073 20 0 DBADRM CO[C@]1(CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)CCOC1 ZINC001573952614 1026674358 /nfs/dbraw/zinc/67/43/58/1026674358.db2.gz BZGUAKQHCBAKAS-KWBADKCTSA-N -1 0 317.342 -0.938 20 0 DBADRM COCC(=O)NCCC(=O)N[C@H](CC(=O)[O-])C(F)(F)F ZINC001573966384 1026676943 /nfs/dbraw/zinc/67/69/43/1026676943.db2.gz IKGNGQSPAFYJHS-ZCFIWIBFSA-N -1 0 300.233 -0.339 20 0 DBADRM COCC(=O)N(C)CC(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-] ZINC001573966951 1026677240 /nfs/dbraw/zinc/67/72/40/1026677240.db2.gz NWYUNPHLDFJYGU-JTQLQIEISA-N -1 0 316.354 -0.380 20 0 DBADRM COCC(=O)N(C)CC(=O)Nc1ncc(CC(=O)[O-])s1 ZINC001573966154 1026678093 /nfs/dbraw/zinc/67/80/93/1026678093.db2.gz DRRCQPLRQVCUOD-UHFFFAOYSA-N -1 0 301.324 -0.187 20 0 DBADRM COC[C@H](NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@H]1CO)C1CC1 ZINC001573969148 1026680393 /nfs/dbraw/zinc/68/03/93/1026680393.db2.gz RXSOGKBDVPGODQ-AXFHLTTASA-N -1 0 301.343 -0.319 20 0 DBADRM CCc1ocnc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001573970325 1026681900 /nfs/dbraw/zinc/68/19/00/1026681900.db2.gz JUACXAZDUAYGNP-ZETCQYMHSA-N -1 0 302.308 -0.439 20 0 DBADRM CCn1cc(NC(=O)c2cc(C(=O)[O-])nn2C)c(C(N)=O)n1 ZINC001573971005 1026681994 /nfs/dbraw/zinc/68/19/94/1026681994.db2.gz JGADBZWQPPOCHG-UHFFFAOYSA-N -1 0 306.282 -0.314 20 0 DBADRM CCn1cc(CNC(=O)N2CC[C@](C)(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC001573971382 1026682410 /nfs/dbraw/zinc/68/24/10/1026682410.db2.gz RYGPOFVPJWOXHW-AWEZNQCLSA-N -1 0 324.337 -0.025 20 0 DBADRM CN(C)C(=O)Cn1cc(NC(=O)c2cc(C(=O)[O-])n[nH]2)cn1 ZINC001573983410 1026683326 /nfs/dbraw/zinc/68/33/26/1026683326.db2.gz QJKVZYNPEHVTCA-UHFFFAOYSA-N -1 0 306.282 -0.355 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@@H](CC(=O)[O-])C(F)(F)F ZINC001573984934 1026683667 /nfs/dbraw/zinc/68/36/67/1026683667.db2.gz COGVZFLNQPXQON-LURJTMIESA-N -1 0 321.273 -0.431 20 0 DBADRM COCC[C@H](C)CNC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573976684 1026683972 /nfs/dbraw/zinc/68/39/72/1026683972.db2.gz ZJYJZPVSPUBTKM-HBNTYKKESA-N -1 0 303.359 -0.071 20 0 DBADRM COCCS(=O)(=O)CC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F ZINC001573984951 1026684158 /nfs/dbraw/zinc/68/41/58/1026684158.db2.gz DHXHTIVPCZTNAQ-MRVPVSSYSA-N -1 0 321.273 -0.431 20 0 DBADRM CN(C)C(=O)CN1CCCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001573982938 1026684432 /nfs/dbraw/zinc/68/44/32/1026684432.db2.gz IUXRYWMPFPHZKW-ZDUSSCGKSA-N -1 0 311.382 -0.280 20 0 DBADRM COC[C@H](NS(=O)(=O)c1cnc2c(cnn2C)c1)C(=O)[O-] ZINC001573991317 1026685657 /nfs/dbraw/zinc/68/56/57/1026685657.db2.gz SWQISXKBFRPFAF-VIFPVBQESA-N -1 0 314.323 -0.654 20 0 DBADRM COC[C@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)[O-] ZINC001573991028 1026686069 /nfs/dbraw/zinc/68/60/69/1026686069.db2.gz QXNZLDVKIBVXBV-JTQLQIEISA-N -1 0 316.335 -0.696 20 0 DBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC(N(C)C(=O)[O-])CC1 ZINC001573992027 1026686455 /nfs/dbraw/zinc/68/64/55/1026686455.db2.gz CNVBWAYNICTSFM-WDEREUQCSA-N -1 0 306.384 -0.127 20 0 DBADRM CN(CC(=O)Nc1n[nH]cc1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001573998258 1026687391 /nfs/dbraw/zinc/68/73/91/1026687391.db2.gz URMSLLUPDSCKOD-SSDOTTSWSA-N -1 0 316.339 -0.835 20 0 DBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573992268 1026687822 /nfs/dbraw/zinc/68/78/22/1026687822.db2.gz MPIZOLLSPPNDBY-NKWVEPMBSA-N -1 0 305.312 -0.892 20 0 DBADRM CO[C@@H]1CCOC[C@H]1NC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001573992364 1026688392 /nfs/dbraw/zinc/68/83/92/1026688392.db2.gz OLPKKHFWRABDDQ-GWOFURMSSA-N -1 0 317.342 -0.940 20 0 DBADRM CO[C@@H]1CN(C(=O)Nc2nc(CC(=O)[O-])cs2)C[C@H]1O ZINC001573992307 1026688589 /nfs/dbraw/zinc/68/85/89/1026688589.db2.gz NGIPUFVFEWUFEP-HTQZYQBOSA-N -1 0 301.324 -0.006 20 0 DBADRM COc1cc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)n(C)n1 ZINC001574025852 1026690231 /nfs/dbraw/zinc/69/02/31/1026690231.db2.gz CIUWFAHVZULELU-SFYZADRCSA-N -1 0 313.314 -0.479 20 0 DBADRM COc1cc(OC)cc([C@H](O)CNC(=O)[C@H](O)CC(=O)[O-])c1 ZINC001574027265 1026690676 /nfs/dbraw/zinc/69/06/76/1026690676.db2.gz UXJZRLZDJPJOSV-VXGBXAGGSA-N -1 0 313.306 -0.311 20 0 DBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001574037402 1026691965 /nfs/dbraw/zinc/69/19/65/1026691965.db2.gz VMRRJENTPXCSFS-PTRXPTGYSA-N -1 0 304.368 -0.363 20 0 DBADRM COc1cccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])c1OC ZINC001574041870 1026692033 /nfs/dbraw/zinc/69/20/33/1026692033.db2.gz SJUUAJFOECACQD-LBPRGKRZSA-N -1 0 319.335 -0.182 20 0 DBADRM CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](OC)C(=O)[O-])c1 ZINC001574037255 1026692268 /nfs/dbraw/zinc/69/22/68/1026692268.db2.gz NSEQXANTJNSKRM-SECBINFHSA-N -1 0 318.307 -0.662 20 0 DBADRM CNC(=O)NC[C@H]1COCCN1C(=O)NCCCC(=O)[O-] ZINC001574038638 1026692337 /nfs/dbraw/zinc/69/23/37/1026692337.db2.gz HREMSTBLFNDVEG-VIFPVBQESA-N -1 0 302.331 -0.809 20 0 DBADRM CNC(=O)CN1CCCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC001574031776 1026692414 /nfs/dbraw/zinc/69/24/14/1026692414.db2.gz HDPVXIHBTZORBT-UHFFFAOYSA-N -1 0 320.349 -0.326 20 0 DBADRM COc1ccc([C@@]2(C(=O)N[C@H](CO)C(=O)[O-])C[C@@H](O)C2)cc1 ZINC001574034118 1026693234 /nfs/dbraw/zinc/69/32/34/1026693234.db2.gz XSSLAFRDUPCEHY-IXPVHAAZSA-N -1 0 309.318 -0.351 20 0 DBADRM COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)[C@H](OC)C(=O)[O-] ZINC001574037673 1026693753 /nfs/dbraw/zinc/69/37/53/1026693753.db2.gz FQPZJNUSHZLZTG-UTLUCORTSA-N -1 0 303.311 -0.440 20 0 DBADRM COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001574047041 1026694414 /nfs/dbraw/zinc/69/44/14/1026694414.db2.gz NXMJEWQIGQEJGM-JPVBRFOXSA-N -1 0 314.294 -0.605 20 0 DBADRM COc1cnc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccncc2)nc1 ZINC001574052742 1026694691 /nfs/dbraw/zinc/69/46/91/1026694691.db2.gz XDXFUOVHANYQEI-WDEREUQCSA-N -1 0 318.289 -0.203 20 0 DBADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H]1CCNC1=O)C[C@@H]2C(=O)[O-] ZINC001574048204 1026694712 /nfs/dbraw/zinc/69/47/12/1026694712.db2.gz YGPRBGMHFDLXOZ-DNCVYYJJSA-N -1 0 324.333 -0.765 20 0 DBADRM COc1coc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)cc1=O ZINC001574054526 1026694878 /nfs/dbraw/zinc/69/48/78/1026694878.db2.gz MIFKFCJXPFXJMA-YUMQZZPRSA-N -1 0 312.278 -0.651 20 0 DBADRM COC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001574046493 1026695125 /nfs/dbraw/zinc/69/51/25/1026695125.db2.gz LJEKDPPWAOUEEC-XLKFXECMSA-N -1 0 323.305 -0.033 20 0 DBADRM COc1cncc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2cccnc2)n1 ZINC001574052075 1026695253 /nfs/dbraw/zinc/69/52/53/1026695253.db2.gz GEYZSUPCUKFNGN-VXGBXAGGSA-N -1 0 318.289 -0.203 20 0 DBADRM COc1coc(C(=O)N[C@@H](C)c2nc(C(=O)[O-])n[nH]2)cc1=O ZINC001574055183 1026695935 /nfs/dbraw/zinc/69/59/35/1026695935.db2.gz SLIZKLHHJSDUKO-YFKPBYRVSA-N -1 0 308.250 -0.044 20 0 DBADRM COc1coc(C(=O)N[C@H](C)c2nc(C(=O)[O-])n[nH]2)cc1=O ZINC001574055182 1026696920 /nfs/dbraw/zinc/69/69/20/1026696920.db2.gz SLIZKLHHJSDUKO-RXMQYKEDSA-N -1 0 308.250 -0.044 20 0 DBADRM C[S@](=N)(=O)N1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC001574057531 1026697140 /nfs/dbraw/zinc/69/71/40/1026697140.db2.gz PLMSPKWBJBSDEQ-JLTPVHFHSA-N -1 0 319.387 -0.343 20 0 DBADRM CS(=O)(=O)CC(=O)N1CCC[C@@H]1c1n[nH]nc1C(=O)[O-] ZINC001574057715 1026698074 /nfs/dbraw/zinc/69/80/74/1026698074.db2.gz WQZJLKKSVWEZJA-ZCFIWIBFSA-N -1 0 302.312 -0.789 20 0 DBADRM CS(=O)(=O)C[C@@H]1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CCO1 ZINC001574057636 1026698891 /nfs/dbraw/zinc/69/88/91/1026698891.db2.gz SZJWIHMUGDCXPR-LPEHRKFASA-N -1 0 305.352 -0.631 20 0 DBADRM CS(=O)(=O)N1CC(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])C1 ZINC001574060076 1026699989 /nfs/dbraw/zinc/69/99/89/1026699989.db2.gz WFBPWXWJTCFKCE-ZJUUUORDSA-N -1 0 320.367 -0.984 20 0 DBADRM CS(=O)(=O)NC[C@@H]1COCCN1Cc1cc(C(=O)[O-])no1 ZINC001574060082 1026700128 /nfs/dbraw/zinc/70/01/28/1026700128.db2.gz WLBJZTJPDNQQKA-MRVPVSSYSA-N -1 0 319.339 -0.877 20 0 DBADRM COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001574066694 1026700309 /nfs/dbraw/zinc/70/03/09/1026700309.db2.gz WQONXGXKZHBAFB-VIFPVBQESA-N -1 0 324.293 -0.998 20 0 DBADRM COC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001574066578 1026700800 /nfs/dbraw/zinc/70/08/00/1026700800.db2.gz VTPUWTWSVKWKIW-OPRDCNLKSA-N -1 0 312.322 -0.623 20 0 DBADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)c1cnn(C)c1C ZINC001574061363 1026701410 /nfs/dbraw/zinc/70/14/10/1026701410.db2.gz IQHDBCSVCCOJLX-UHFFFAOYSA-N -1 0 319.339 -0.633 20 0 DBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C(=O)[O-])cn1 ZINC001574077073 1026701475 /nfs/dbraw/zinc/70/14/75/1026701475.db2.gz GHNSUJWPMTWJJF-YUMQZZPRSA-N -1 0 323.305 -0.424 20 0 DBADRM C[S@@](=O)C1(C(=O)[O-])CCN(CCCS(C)(=O)=O)CC1 ZINC001574096895 1026703079 /nfs/dbraw/zinc/70/30/79/1026703079.db2.gz GPQORAKFLKLXPA-GOSISDBHSA-N -1 0 311.425 -0.281 20 0 DBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N(CC(=O)[O-])CC1CC1 ZINC001574094833 1026703118 /nfs/dbraw/zinc/70/31/18/1026703118.db2.gz KIBNUERBYQFERI-UHFFFAOYSA-N -1 0 317.323 -0.318 20 0 DBADRM COC(=O)c1coc(CNC(=O)C2(C(=O)[O-])CCOCC2)n1 ZINC001574097018 1026703715 /nfs/dbraw/zinc/70/37/15/1026703715.db2.gz HLLGSJLUFWNYKH-UHFFFAOYSA-N -1 0 312.278 -0.041 20 0 DBADRM C[C@@H]1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001574104695 1026704565 /nfs/dbraw/zinc/70/45/65/1026704565.db2.gz HMEPMNRCZWZNFB-XFWSIPNHSA-N -1 0 304.368 -0.520 20 0 DBADRM C[C@@H]1[C@H](NC(=O)Nc2ncc(C(=O)[O-])n2C)CCS1(=O)=O ZINC001574104654 1026704758 /nfs/dbraw/zinc/70/47/58/1026704758.db2.gz SDIDTWWFRDSRAP-RNFRBKRXSA-N -1 0 316.339 -0.185 20 0 DBADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC001574100113 1026705063 /nfs/dbraw/zinc/70/50/63/1026705063.db2.gz BUMZXJYWLGTBKA-SFGNSQDASA-N -1 0 310.310 -0.870 20 0 DBADRM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001574097559 1026705088 /nfs/dbraw/zinc/70/50/88/1026705088.db2.gz PVLMAWSBALQYQY-FHZGZLOMSA-N -1 0 302.352 -0.911 20 0 DBADRM C[C@H](Cc1cn(C)nn1)NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001574105046 1026705099 /nfs/dbraw/zinc/70/50/99/1026705099.db2.gz XGSFNPCUIQONLN-MRVPVSSYSA-N -1 0 302.356 -0.327 20 0 DBADRM CS(C)(=O)=NC(=O)CNC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC001574097531 1026705901 /nfs/dbraw/zinc/70/59/01/1026705901.db2.gz PELTWVMRZNIXFO-SSDOTTSWSA-N -1 0 306.344 -0.708 20 0 DBADRM Cc1[nH]c(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cc1C(=O)[O-] ZINC001574112129 1026706506 /nfs/dbraw/zinc/70/65/06/1026706506.db2.gz IJWPEYJRZLWKNE-MRVPVSSYSA-N -1 0 315.351 -0.228 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCSC[C@H]1C(=O)[O-] ZINC001574114127 1026706617 /nfs/dbraw/zinc/70/66/17/1026706617.db2.gz VMTWDEZLIXCPPD-QMMMGPOBSA-N -1 0 313.335 -0.233 20 0 DBADRM Cc1n[nH]c(CN2CCN3CCOC[C@@]3(CO)C2)c1C(=O)[O-] ZINC001574113103 1026707770 /nfs/dbraw/zinc/70/77/70/1026707770.db2.gz KVQYABKAQWKRJG-AWEZNQCLSA-N -1 0 310.354 -0.705 20 0 DBADRM C[C@H]1CN(C(=O)Nc2ncc(C(=O)[O-])n2C)CCS1(=O)=O ZINC001574111659 1026707911 /nfs/dbraw/zinc/70/79/11/1026707911.db2.gz BKUULZVVDZSAGB-ZETCQYMHSA-N -1 0 316.339 -0.231 20 0 DBADRM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCO[C@@](C)(C(=O)[O-])C1 ZINC001574114219 1026708216 /nfs/dbraw/zinc/70/82/16/1026708216.db2.gz VXPLSCLGKJVAJC-CYBMUJFWSA-N -1 0 311.294 -0.559 20 0 DBADRM C[C@H]1CN(C(=O)Nc2ncn(CC(=O)[O-])n2)CCS1(=O)=O ZINC001574112310 1026708125 /nfs/dbraw/zinc/70/81/25/1026708125.db2.gz JVJMYQYGMRNKHT-ZETCQYMHSA-N -1 0 317.327 -0.987 20 0 DBADRM Cc1c(C(=O)[O-])n[nH]c1NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001574120685 1026708578 /nfs/dbraw/zinc/70/85/78/1026708578.db2.gz VKPMXEGKPPDYRP-UHFFFAOYSA-N -1 0 320.309 -0.250 20 0 DBADRM Cc1c(CC(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)cnn1C ZINC001574119404 1026709963 /nfs/dbraw/zinc/70/99/63/1026709963.db2.gz BGYBXAHBBHKROA-UONOGXRCSA-N -1 0 318.333 -0.031 20 0 DBADRM Cc1nc[nH]c1CC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccnc1 ZINC001574114390 1026710053 /nfs/dbraw/zinc/71/00/53/1026710053.db2.gz UQXGPQZKEAPQJR-CHWSQXEVSA-N -1 0 304.306 -0.041 20 0 DBADRM Cc1cc(C(F)F)n(CC(=O)N(CC(N)=O)CC(=O)[O-])n1 ZINC001574128948 1026711407 /nfs/dbraw/zinc/71/14/07/1026711407.db2.gz IXOPJAXDOBEBGH-UHFFFAOYSA-N -1 0 304.253 -0.472 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001574127500 1026711509 /nfs/dbraw/zinc/71/15/09/1026711509.db2.gz MLQDMYLEYFFBOC-OPRDCNLKSA-N -1 0 306.322 -0.094 20 0 DBADRM COC[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)[C@@H]1CCCOC1 ZINC001574130566 1026711824 /nfs/dbraw/zinc/71/18/24/1026711824.db2.gz OFWIVPULLJWOHG-KOLCDFICSA-N -1 0 312.326 -0.466 20 0 DBADRM Cc1cc(CNC(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)ncn1 ZINC001574135402 1026712137 /nfs/dbraw/zinc/71/21/37/1026712137.db2.gz SVNLUXDKQBDGFK-ONGXEEELSA-N -1 0 309.326 -0.445 20 0 DBADRM Cc1cc(COCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])no1 ZINC001574135917 1026712253 /nfs/dbraw/zinc/71/22/53/1026712253.db2.gz VRMPASYDVOFKDT-IUCAKERBSA-N -1 0 313.310 -0.406 20 0 DBADRM Cc1cc(=O)[nH]c(N2CC[C@H](NC(=O)[C@H](O)CC(=O)[O-])C2)n1 ZINC001574126835 1026712310 /nfs/dbraw/zinc/71/23/10/1026712310.db2.gz GLXPHHSZWZOUSH-DTWKUNHWSA-N -1 0 310.310 -0.979 20 0 DBADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2ccc3n[nH]nc3n2)CCO1 ZINC001574145584 1026712743 /nfs/dbraw/zinc/71/27/43/1026712743.db2.gz GQCVZLIGIZMSCQ-ZDUSSCGKSA-N -1 0 321.293 -0.705 20 0 DBADRM COC[C@@]1(C(=O)[O-])CN(C(=O)Cc2nnc(C3CC3)[nH]2)CCO1 ZINC001574140774 1026712941 /nfs/dbraw/zinc/71/29/41/1026712941.db2.gz IQLRSOYKYXKCRY-CQSZACIVSA-N -1 0 324.337 -0.447 20 0 DBADRM Cc1cc(CNC(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)n(C)n1 ZINC001574136276 1026713328 /nfs/dbraw/zinc/71/33/28/1026713328.db2.gz ZIHMJHIXCMSBJP-MWLCHTKSSA-N -1 0 311.342 -0.502 20 0 DBADRM Cc1cc(S(=O)(=O)N2CCO[C@@](C)(C(=O)[O-])C2)cnc1N ZINC001574144784 1026713530 /nfs/dbraw/zinc/71/35/30/1026713530.db2.gz RTHFYHBXERKXMU-GFCCVEGCSA-N -1 0 315.351 -0.164 20 0 DBADRM Cc1cc(F)c(S(=O)(=O)N[C@@H]2COC[C@@H]2O)cc1C(=O)[O-] ZINC001574137815 1026713546 /nfs/dbraw/zinc/71/35/46/1026713546.db2.gz ZTOMFWGPTUBURG-ZJUUUORDSA-N -1 0 319.310 -0.130 20 0 DBADRM Cc1cncc(S(=O)(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)c1 ZINC001574178699 1026717785 /nfs/dbraw/zinc/71/77/85/1026717785.db2.gz BCUMYZFKCUIDIT-KOLCDFICSA-N -1 0 315.351 -0.361 20 0 DBADRM Cc1nc(CNC(=O)Nc2cccn(CC(=O)[O-])c2=O)n[nH]1 ZINC001574179819 1026718067 /nfs/dbraw/zinc/71/80/67/1026718067.db2.gz WYLCPHROWVIUJF-UHFFFAOYSA-N -1 0 306.282 -0.319 20 0 DBADRM Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)[C@@H](O)CC(=O)[O-] ZINC001574165902 1026718231 /nfs/dbraw/zinc/71/82/31/1026718231.db2.gz IAINCDSKHROITM-WCQYABFASA-N -1 0 306.318 -0.170 20 0 DBADRM Cc1nc(NC(=O)[C@@H](O)CC(=O)[O-])sc1SCC(N)=O ZINC001574187679 1026719653 /nfs/dbraw/zinc/71/96/53/1026719653.db2.gz IXCPUMNBIUPKBW-YFKPBYRVSA-N -1 0 319.364 -0.197 20 0 DBADRM Cc1nc(C(=O)[O-])c(NC(=O)c2cn(C)c(=O)n(C)c2=O)[nH]1 ZINC001574180508 1026720272 /nfs/dbraw/zinc/72/02/72/1026720272.db2.gz JXOKFSZSOQAMKN-UHFFFAOYSA-N -1 0 307.266 -0.934 20 0 DBADRM Cc1[nH]nc(S(=O)(=O)NC[C@@H]2COCCN2C)c1C(=O)[O-] ZINC001574181653 1026720768 /nfs/dbraw/zinc/72/07/68/1026720768.db2.gz CUIXFBNDHLJAMR-MRVPVSSYSA-N -1 0 318.355 -0.975 20 0 DBADRM Cc1nc[nH]c(=O)c1CCC(=O)N1C[C@@H](C(=O)[O-])C2(COC2)C1 ZINC001574191341 1026721467 /nfs/dbraw/zinc/72/14/67/1026721467.db2.gz FGJBKEIHYIGYFO-NSHDSACASA-N -1 0 321.333 -0.017 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])C1 ZINC001574197870 1026721745 /nfs/dbraw/zinc/72/17/45/1026721745.db2.gz GVPAQOVVOVOFPF-MFKMUULPSA-N -1 0 310.310 -0.827 20 0 DBADRM Cc1nc(CNS(=O)(=O)CCCC(=O)[O-])sc1C(N)=O ZINC001574188827 1026722039 /nfs/dbraw/zinc/72/20/39/1026722039.db2.gz VEHXUSARMPSQNN-UHFFFAOYSA-N -1 0 321.380 -0.165 20 0 DBADRM Cc1nnc(CN2CCN(Cc3cc(C(=O)[O-])n[nH]3)CC2)[nH]1 ZINC001574188790 1026722051 /nfs/dbraw/zinc/72/20/51/1026722051.db2.gz XRJYCACKTDIBTR-UHFFFAOYSA-N -1 0 305.342 -0.148 20 0 DBADRM Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@@H](CO)CC(=O)[O-])C1 ZINC001574198064 1026722933 /nfs/dbraw/zinc/72/29/33/1026722933.db2.gz LLWCIBROUZTMKP-KCJUWKMLSA-N -1 0 310.310 -0.827 20 0 DBADRM Cc1nnsc1CNC(=O)N[C@@H]1CN(C(=O)[O-])C[C@@H]1CO ZINC001574197020 1026722948 /nfs/dbraw/zinc/72/29/48/1026722948.db2.gz GDTFXWPCAVLNPL-HTQZYQBOSA-N -1 0 315.355 -0.384 20 0 DBADRM Cc1nnc(NC(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)s1 ZINC001574198246 1026723808 /nfs/dbraw/zinc/72/38/08/1026723808.db2.gz PQRYTQPRVYZOLO-NKWVEPMBSA-N -1 0 301.328 -0.061 20 0 DBADRM Cc1oc(C(=O)NC2(CC(=O)[O-])COC2)cc1S(N)(=O)=O ZINC001574206000 1026723911 /nfs/dbraw/zinc/72/39/11/1026723911.db2.gz NJBYQNRQVCQJCU-UHFFFAOYSA-N -1 0 318.307 -0.791 20 0 DBADRM Cc1nnc(NC(=O)N[C@H]2CN(C(=O)[O-])C[C@@H]2CO)s1 ZINC001574198248 1026724163 /nfs/dbraw/zinc/72/41/63/1026724163.db2.gz PQRYTQPRVYZOLO-RQJHMYQMSA-N -1 0 301.328 -0.061 20 0 DBADRM Cc1nnnn1-c1ccc(C(=O)NC2(CC(=O)[O-])COC2)cc1 ZINC001574198287 1026724369 /nfs/dbraw/zinc/72/43/69/1026724369.db2.gz RQAOHXJBDCDRFQ-UHFFFAOYSA-N -1 0 317.305 -0.056 20 0 DBADRM Cc1nnc(CCN2CCC(C(=O)[O-])(S(C)(=O)=O)CC2)o1 ZINC001574200153 1026724446 /nfs/dbraw/zinc/72/44/46/1026724446.db2.gz IIDUZEMSRFMDNM-UHFFFAOYSA-N -1 0 317.367 -0.116 20 0 DBADRM Cc1nonc1CC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC001574206522 1026724830 /nfs/dbraw/zinc/72/48/30/1026724830.db2.gz TVGQOQKQLPETIB-NEPJUHHUSA-N -1 0 306.278 -0.381 20 0 DBADRM Cc1nnc(CC(=O)N2CCC(C(=O)NCC(=O)[O-])CC2)o1 ZINC001574199386 1026725051 /nfs/dbraw/zinc/72/50/51/1026725051.db2.gz AORPTYCASDSGCA-UHFFFAOYSA-N -1 0 310.310 -0.640 20 0 DBADRM Cn1cc(C2=NO[C@H](C(=O)NC3(CC(=O)[O-])COC3)C2)cn1 ZINC001574211746 1026725949 /nfs/dbraw/zinc/72/59/49/1026725949.db2.gz FIDNNFWLJYWWAJ-JTQLQIEISA-N -1 0 308.294 -0.727 20 0 DBADRM Cn1cc(C(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)[nH]c1=O ZINC001574211316 1026726120 /nfs/dbraw/zinc/72/61/20/1026726120.db2.gz FRGAJONSVZCZRR-VHSXEESVSA-N -1 0 306.278 -0.563 20 0 DBADRM Cn1cc(CCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2cccnc2)nn1 ZINC001574211510 1026726159 /nfs/dbraw/zinc/72/61/59/1026726159.db2.gz CWKXHKFZULDCIX-OLZOCXBDSA-N -1 0 319.321 -0.554 20 0 DBADRM CN1C(=O)N=NC1CNC(=O)N[C@@H](CC(=O)[O-])C(F)(F)F ZINC001574208547 1026726201 /nfs/dbraw/zinc/72/62/01/1026726201.db2.gz GMLWXSJCNLUDHQ-BYPYZUCNSA-N -1 0 311.220 -0.275 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001574208440 1026726228 /nfs/dbraw/zinc/72/62/28/1026726228.db2.gz FOIAGGHOTNHAKN-APPZFPTMSA-N -1 0 310.310 -0.130 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)N2C[C@H](CO)[C@@H](CCO)C2)n1 ZINC001574211410 1026726410 /nfs/dbraw/zinc/72/64/10/1026726410.db2.gz HSYLTKPVZKBSIC-DTWKUNHWSA-N -1 0 312.326 -0.427 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC001574209920 1026726652 /nfs/dbraw/zinc/72/66/52/1026726652.db2.gz STOFWLIDDJCFEI-QMMMGPOBSA-N -1 0 307.310 -0.043 20 0 DBADRM Cn1c(C(=O)[O-])cnc1NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001574208934 1026726708 /nfs/dbraw/zinc/72/67/08/1026726708.db2.gz KOFIXQHANHLSOJ-LLVKDONJSA-N -1 0 316.339 -0.471 20 0 DBADRM Cn1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](O)c2cccnc2)[nH]c1=O ZINC001574211314 1026726841 /nfs/dbraw/zinc/72/68/41/1026726841.db2.gz FRGAJONSVZCZRR-UWVGGRQHSA-N -1 0 306.278 -0.563 20 0 DBADRM Cn1cc(NC(=O)N2CCC(O)(C(N)=O)CC2)c(C(=O)[O-])c1 ZINC001574212881 1026727849 /nfs/dbraw/zinc/72/78/49/1026727849.db2.gz AJCZGLKXSSJCHQ-UHFFFAOYSA-N -1 0 310.310 -0.433 20 0 DBADRM Cn1cc(N2CC[C@@H](NC(=O)[C@H]3CC[C@H]3C(=O)[O-])C2=O)cn1 ZINC001574213244 1026727962 /nfs/dbraw/zinc/72/79/62/1026727962.db2.gz FECNLKWJYDXPKB-HBNTYKKESA-N -1 0 306.322 -0.248 20 0 DBADRM Cn1cc(C(=O)[O-])c(NC(=O)[C@@]2(F)CCS(=O)(=O)C2)n1 ZINC001574212344 1026728178 /nfs/dbraw/zinc/72/81/78/1026728178.db2.gz UDXHQFRGSKDASA-SNVBAGLBSA-N -1 0 305.287 -0.416 20 0 DBADRM Cn1cc(C(=O)N2CCC[C@H]2c2n[nH]nc2C(=O)[O-])n(C)c1=O ZINC001574212524 1026729187 /nfs/dbraw/zinc/72/91/87/1026729187.db2.gz WRSQUYASNQBLTM-ZETCQYMHSA-N -1 0 320.309 -0.483 20 0 DBADRM Cn1cc(CN2CCCC[C@H]2CS(N)(=O)=O)c(C(=O)[O-])n1 ZINC001574212156 1026729304 /nfs/dbraw/zinc/72/93/04/1026729304.db2.gz LFBJBWUDDRMZAY-JTQLQIEISA-N -1 0 316.383 -0.239 20 0 DBADRM Cn1cc([C@H](O)C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccncc2)cn1 ZINC001574212094 1026729596 /nfs/dbraw/zinc/72/95/96/1026729596.db2.gz IYCIPYVNGNXHOF-WOPDTQHZSA-N -1 0 320.305 -0.849 20 0 DBADRM Cn1cnc(C(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccncc2)cc1=O ZINC001574221335 1026730164 /nfs/dbraw/zinc/73/01/64/1026730164.db2.gz OCMYCLNMVQSHMU-VXGBXAGGSA-N -1 0 318.289 -0.908 20 0 DBADRM Cn1ccc(CC(=O)N[C@H](C(=O)[O-])[C@H](O)c2cccnc2)n1 ZINC001574224974 1026730210 /nfs/dbraw/zinc/73/02/10/1026730210.db2.gz ULENNMRFOVTFRG-QWHCGFSZSA-N -1 0 304.306 -0.339 20 0 DBADRM Cn1cc(S(=O)(=O)N2C[C@@H](O)C[C@]2(C)CO)cc1C(=O)[O-] ZINC001574220273 1026730366 /nfs/dbraw/zinc/73/03/66/1026730366.db2.gz LYGPWKISEYVULB-QPUJVOFHSA-N -1 0 318.351 -0.770 20 0 DBADRM Cn1cc(NC(=O)NC[C@H](O)CS(C)(=O)=O)cc1C(=O)[O-] ZINC001574221107 1026730406 /nfs/dbraw/zinc/73/04/06/1026730406.db2.gz WALXLRWXFWXCHX-QMMMGPOBSA-N -1 0 319.339 -0.750 20 0 DBADRM CC(C)COC(=O)N(C)Cn1c(=O)[nH]cc(-c2nnn[n-]2)c1=O ZINC001574220187 1026730446 /nfs/dbraw/zinc/73/04/46/1026730446.db2.gz STRUIGFKAZQOFM-UHFFFAOYSA-N -1 0 323.313 -0.189 20 0 DBADRM Cn1ncc(C(=O)[O-])c1NC(=O)CN[C@@H]1C(=O)NCC1(C)C ZINC001574226319 1026732493 /nfs/dbraw/zinc/73/24/93/1026732493.db2.gz DASPTYMZHOXQTM-SECBINFHSA-N -1 0 309.326 -0.829 20 0 DBADRM Cn1ncc(C(=O)N2CCCN(C(=O)[O-])CC2)c1-n1cnnc1 ZINC001574226723 1026732517 /nfs/dbraw/zinc/73/25/17/1026732517.db2.gz QUGAITUJTDOCIG-UHFFFAOYSA-N -1 0 319.325 -0.173 20 0 DBADRM Cn1ncc(C(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccncc2)c1N ZINC001574226502 1026733284 /nfs/dbraw/zinc/73/32/84/1026733284.db2.gz ICWJGKKGANEDCL-ZJUUUORDSA-N -1 0 305.294 -0.686 20 0 DBADRM Cn1ncc(C(=O)N2CCC[C@H](NC(=O)[O-])C2)c1-n1cnnc1 ZINC001574226286 1026733601 /nfs/dbraw/zinc/73/36/01/1026733601.db2.gz BOAUTFYPJNIFSC-VIFPVBQESA-N -1 0 319.325 -0.127 20 0 DBADRM Cn1nc2c(c1C(=O)NCCC(=O)[O-])CS(=O)(=O)CC2 ZINC001574226312 1026733612 /nfs/dbraw/zinc/73/36/12/1026733612.db2.gz CVXXALCASLWVOM-UHFFFAOYSA-N -1 0 301.324 -0.905 20 0 DBADRM Cn1nnnc1C1CCN(S(=O)(=O)CCC(=O)[O-])CC1 ZINC001574229064 1026734024 /nfs/dbraw/zinc/73/40/24/1026734024.db2.gz SNSHWOWYVZGKIC-UHFFFAOYSA-N -1 0 303.344 -0.806 20 0 DBADRM Cn1nc(C2CC2)nc1CC(=O)NCc1[nH]cnc1C(=O)[O-] ZINC001574226954 1026734117 /nfs/dbraw/zinc/73/41/17/1026734117.db2.gz XHWKFCYLROREPU-UHFFFAOYSA-N -1 0 304.310 -0.027 20 0 DBADRM NC(=O)[C@]1(NC(=O)CC2(C(=O)[O-])CCOCC2)CCOC1 ZINC001574247186 1026734543 /nfs/dbraw/zinc/73/45/43/1026734543.db2.gz ANCCUSGEHFTOKF-ZDUSSCGKSA-N -1 0 300.311 -0.982 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)C(F)(F)C1(O)CCCCC1 ZINC001574254809 1026738698 /nfs/dbraw/zinc/73/86/98/1026738698.db2.gz HZZRLEGXHRVEHA-UHFFFAOYSA-N -1 0 308.281 -0.285 20 0 DBADRM NC(=O)CN(CC(=O)[O-])C(=O)C[C@H]1CC(=O)Nc2ccccc21 ZINC001574254576 1026739245 /nfs/dbraw/zinc/73/92/45/1026739245.db2.gz CQEDKFGAWRZRPJ-SECBINFHSA-N -1 0 319.317 -0.099 20 0 DBADRM NC(=O)CSCC(=O)N1CC[C@H](c2n[nH]cc2C(=O)[O-])C1 ZINC001574255040 1026740821 /nfs/dbraw/zinc/74/08/21/1026740821.db2.gz NESBERGEUJTIAR-ZETCQYMHSA-N -1 0 312.351 -0.358 20 0 DBADRM NC(=O)N[C@H]1CCN(Cc2cnc3c(C(=O)[O-])cnn3c2)C1 ZINC001574256848 1026741669 /nfs/dbraw/zinc/74/16/69/1026741669.db2.gz NNSPHUFJRGOJFY-VIFPVBQESA-N -1 0 304.310 -0.330 20 0 DBADRM NC(=O)NCCC(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC001574256562 1026741730 /nfs/dbraw/zinc/74/17/30/1026741730.db2.gz FPIYAHBUEHUKNQ-UHFFFAOYSA-N -1 0 309.326 -0.197 20 0 DBADRM NC(=O)N1CC[C@@H](CNC(=O)CC2(C(=O)[O-])CCOCC2)C1 ZINC001574256210 1026742387 /nfs/dbraw/zinc/74/23/87/1026742387.db2.gz ADDHNLAIZKJLPM-JTQLQIEISA-N -1 0 313.354 -0.225 20 0 DBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])O1 ZINC001574257350 1026742649 /nfs/dbraw/zinc/74/26/49/1026742649.db2.gz XPLXDNOHZNDUIP-GARJFASQSA-N -1 0 307.306 -0.774 20 0 DBADRM NC(=O)c1cc(CNC(=O)CC2(C(=O)[O-])CCOCC2)on1 ZINC001574259387 1026743043 /nfs/dbraw/zinc/74/30/43/1026743043.db2.gz NRHBZKYVWXRDPD-UHFFFAOYSA-N -1 0 311.294 -0.339 20 0 DBADRM NC(=O)c1ncn(CC(=O)Nc2cccc(F)c2C(=O)[O-])n1 ZINC001574261621 1026744453 /nfs/dbraw/zinc/74/44/53/1026744453.db2.gz BPFMHXOIAMDKFP-UHFFFAOYSA-N -1 0 307.241 -0.147 20 0 DBADRM NS(=O)(=O)C1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC001574279375 1026745863 /nfs/dbraw/zinc/74/58/63/1026745863.db2.gz BDGPKXHTHOHTIB-UHFFFAOYSA-N -1 0 320.348 -0.954 20 0 DBADRM NC(=O)c1ccc(CNS(=O)(=O)C2(C(=O)[O-])CCC2)o1 ZINC001574260274 1026746213 /nfs/dbraw/zinc/74/62/13/1026746213.db2.gz ZGVARWWEOFWEPW-UHFFFAOYSA-N -1 0 302.308 -0.195 20 0 DBADRM NS(=O)(=O)C[C@H]1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC001574281109 1026747141 /nfs/dbraw/zinc/74/71/41/1026747141.db2.gz WVCCUEITPIJKSU-DTWKUNHWSA-N -1 0 320.371 -0.941 20 0 DBADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N(C)Cc1nnc2c(=O)[nH]ccn12 ZINC001574280819 1026747165 /nfs/dbraw/zinc/74/71/65/1026747165.db2.gz QZPPSDAJFDGFIV-UHLUBPPHSA-N -1 0 305.294 -0.513 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC001574281025 1026747177 /nfs/dbraw/zinc/74/71/77/1026747177.db2.gz UABICSVMNZGVCM-ZJUUUORDSA-N -1 0 319.383 -0.487 20 0 DBADRM NS(=O)(=O)c1cc(C(=O)N2CSC[C@@H]2C(=O)[O-])ccn1 ZINC001574279507 1026747563 /nfs/dbraw/zinc/74/75/63/1026747563.db2.gz DHVMSYHINSPPKE-SSDOTTSWSA-N -1 0 317.348 -0.671 20 0 DBADRM NS(=O)(=O)NC1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001574279433 1026748284 /nfs/dbraw/zinc/74/82/84/1026748284.db2.gz CIIAFYATKIJXST-DTWKUNHWSA-N -1 0 319.383 -0.729 20 0 DBADRM Nc1nnnn1-c1cccc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)c1 ZINC001574292300 1026748992 /nfs/dbraw/zinc/74/89/92/1026748992.db2.gz ZKTMMQBYEBZVLY-VIFPVBQESA-N -1 0 317.309 -0.443 20 0 DBADRM Nc1nnn(CC(=O)N2CCC(CC(F)F)(C(=O)[O-])CC2)n1 ZINC001574291796 1026749276 /nfs/dbraw/zinc/74/92/76/1026749276.db2.gz NBMFWKBEGSILLR-UHFFFAOYSA-N -1 0 318.284 -0.396 20 0 DBADRM O=C(CC1(C(=O)[O-])CCOCC1)N[C@@H](CO)[C@@H]1CCOC1 ZINC001574292852 1026749875 /nfs/dbraw/zinc/74/98/75/1026749875.db2.gz KBNVBLIMHNDHMF-MNOVXSKESA-N -1 0 301.339 -0.229 20 0 DBADRM O=C([O-])c1cn(CCNC(=O)C[C@@H]2C=CS(=O)(=O)C2)cn1 ZINC001574292554 1026750227 /nfs/dbraw/zinc/75/02/27/1026750227.db2.gz BUYOIEIMHLDBJD-VIFPVBQESA-N -1 0 313.335 -0.354 20 0 DBADRM C[C@H]1[C@@H](O)CCN1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574291480 1026750533 /nfs/dbraw/zinc/75/05/33/1026750533.db2.gz VTPHYPITTQOQOI-AXFHLTTASA-N -1 0 313.354 -0.383 20 0 DBADRM Nc1ncc(S(=O)(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])cn1 ZINC001574291532 1026750819 /nfs/dbraw/zinc/75/08/19/1026750819.db2.gz JCMMQCKQBYQPQM-BDAKNGLRSA-N -1 0 300.340 -0.020 20 0 DBADRM O=C([O-])[C@@H](NC(=O)CN1CCCC1=O)[C@H](O)c1ccncc1 ZINC001574299534 1026753089 /nfs/dbraw/zinc/75/30/89/1026753089.db2.gz NCJFEEOWBVIHMH-QWHCGFSZSA-N -1 0 307.306 -0.693 20 0 DBADRM O=C(CN1CCCS1(=O)=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001574299991 1026753391 /nfs/dbraw/zinc/75/33/91/1026753391.db2.gz ZMQNEEPGARLGKJ-ZJUUUORDSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])c1nc[nH]c1CNC(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001574294128 1026753782 /nfs/dbraw/zinc/75/37/82/1026753782.db2.gz VEBLNYBFUWXYPG-MRVPVSSYSA-N -1 0 315.351 -0.061 20 0 DBADRM O=C(C[C@H]1CCCS(=O)(=O)C1)NCc1nc(C(=O)[O-])n[nH]1 ZINC001574293267 1026753835 /nfs/dbraw/zinc/75/38/35/1026753835.db2.gz AVXWIGAUERWMAS-SSDOTTSWSA-N -1 0 316.339 -0.666 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)CN2Cc3ccccc3C2=O)n1 ZINC001574300643 1026755055 /nfs/dbraw/zinc/75/50/55/1026755055.db2.gz SSXUPGAAHTYMAQ-UHFFFAOYSA-N -1 0 315.289 -0.225 20 0 DBADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Cn1ncn2nccc2c1=O ZINC001574301860 1026755314 /nfs/dbraw/zinc/75/53/14/1026755314.db2.gz KNWWXTJAAUASEL-BDAKNGLRSA-N -1 0 305.294 -0.740 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)CSc2nncs2)C1 ZINC001574302858 1026755388 /nfs/dbraw/zinc/75/53/88/1026755388.db2.gz QSJRFXKAYRDKKA-NKWVEPMBSA-N -1 0 318.380 -0.283 20 0 DBADRM O=C([O-])[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001574308073 1026756482 /nfs/dbraw/zinc/75/64/82/1026756482.db2.gz FKKVUDUMUNIGPD-GZMMTYOYSA-N -1 0 310.281 -0.260 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001574311139 1026756933 /nfs/dbraw/zinc/75/69/33/1026756933.db2.gz CMULPQVUZPZHNU-GMSGAONNSA-N -1 0 320.305 -0.031 20 0 DBADRM O=C([O-])N1CC[C@@H](NC(=O)N[C@H](CO)C[C@@H]2CCCO2)C1 ZINC001574310418 1026757408 /nfs/dbraw/zinc/75/74/08/1026757408.db2.gz SDYWDAHCYWFQHE-VWYCJHECSA-N -1 0 301.343 -0.032 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001574311535 1026758692 /nfs/dbraw/zinc/75/86/92/1026758692.db2.gz JUUOZGWHDVCPJV-DTWKUNHWSA-N -1 0 321.293 -0.865 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2cccc3ncnn32)[C@@H](CO)C1 ZINC001574311368 1026758869 /nfs/dbraw/zinc/75/88/69/1026758869.db2.gz HYBUNDJVROZTGT-BDAKNGLRSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2ccc3nonc3c2)C1 ZINC001574311349 1026759055 /nfs/dbraw/zinc/75/90/55/1026759055.db2.gz HNQPICYGDLTUOO-KWQFWETISA-N -1 0 306.278 -0.077 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2ccc3nncn3c2)C1 ZINC001574311329 1026759181 /nfs/dbraw/zinc/75/91/81/1026759181.db2.gz GXUNVOPZBODFRK-VHSXEESVSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@@H](CO)C1 ZINC001574312205 1026759363 /nfs/dbraw/zinc/75/93/63/1026759363.db2.gz XOJGKMQUFSRQES-SCZZXKLOSA-N -1 0 310.310 -0.634 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@H](NC(=O)c2cc3ncccn3n2)C1 ZINC001574311740 1026759418 /nfs/dbraw/zinc/75/94/18/1026759418.db2.gz OYDNOZRACCZVKT-WCBMZHEXSA-N -1 0 305.294 -0.570 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)c2ncnc3[nH]ccc32)C1 ZINC001574312248 1026759509 /nfs/dbraw/zinc/75/95/09/1026759509.db2.gz YRUIHXYAMWWNAA-CBAPKCEASA-N -1 0 305.294 -0.390 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001574311907 1026759518 /nfs/dbraw/zinc/75/95/18/1026759518.db2.gz QJJGDZPIVRHJMD-HLUHBDAQSA-N -1 0 308.338 -0.399 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)c2cnc3c[nH]nc3c2)[C@@H](CO)C1 ZINC001574311750 1026759789 /nfs/dbraw/zinc/75/97/89/1026759789.db2.gz PHPNHQORQXLSGZ-KCJUWKMLSA-N -1 0 305.294 -0.342 20 0 DBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC1(OCCO)CCOCC1 ZINC001574321978 1026761032 /nfs/dbraw/zinc/76/10/32/1026761032.db2.gz JGRTYNLBDATBRJ-WDEREUQCSA-N -1 0 301.339 -0.229 20 0 DBADRM O=C([O-])N1C[C@H](CO)[C@H](NC(=O)NC[C@@H]2CCCOC2)C1 ZINC001574319157 1026761048 /nfs/dbraw/zinc/76/10/48/1026761048.db2.gz GWWCWYRHAJUTLW-HBNTYKKESA-N -1 0 301.343 -0.317 20 0 DBADRM O=C([O-])C1CCC(NC(=O)NC[C@@H](O)Cn2ccnn2)CC1 ZINC001574321963 1026761815 /nfs/dbraw/zinc/76/18/15/1026761815.db2.gz JCUWZENMDLFNSD-VQXHTEKXSA-N -1 0 311.342 -0.418 20 0 DBADRM O=C([O-])N1CCC[C@@H](C(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001574334440 1026763388 /nfs/dbraw/zinc/76/33/88/1026763388.db2.gz QDHFJXCZYTUIEM-MRVPVSSYSA-N -1 0 320.309 -0.576 20 0 DBADRM O=C([O-])N1C[C@H](NC(=O)Nc2cnc3nccn3c2)[C@@H](CO)C1 ZINC001574345069 1026763462 /nfs/dbraw/zinc/76/34/62/1026763462.db2.gz DPHWJUYLLOGFIB-SCZZXKLOSA-N -1 0 320.309 -0.179 20 0 DBADRM O=C([O-])C1=CC[C@@H](NC(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001574333712 1026763493 /nfs/dbraw/zinc/76/34/93/1026763493.db2.gz IKBUGIOSKHIJAN-MRVPVSSYSA-N -1 0 318.293 -0.610 20 0 DBADRM Cc1cc(CNC(=O)NCCOCCOCC(=O)[O-])on1 ZINC001574330204 1026764081 /nfs/dbraw/zinc/76/40/81/1026764081.db2.gz ODNHYKWECIDPBO-UHFFFAOYSA-N -1 0 301.299 -0.100 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)c2cc3n(n2)CCCC3=O)n1 ZINC001574331244 1026764418 /nfs/dbraw/zinc/76/44/18/1026764418.db2.gz UKXBLDSUPRUQRI-UHFFFAOYSA-N -1 0 304.266 -0.394 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCC1N=NC(=O)N1C1CC1 ZINC001574331306 1026764484 /nfs/dbraw/zinc/76/44/84/1026764484.db2.gz ZATTVCRCXJBCHG-SSDOTTSWSA-N -1 0 313.339 -0.012 20 0 DBADRM Cc1cc(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])no1 ZINC001574326218 1026764548 /nfs/dbraw/zinc/76/45/48/1026764548.db2.gz KSAZHNSVFVERAD-VIFPVBQESA-N -1 0 302.308 -0.764 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CCc3c(=O)[nH]cnc3C2)CCC1 ZINC001574353295 1026765822 /nfs/dbraw/zinc/76/58/22/1026765822.db2.gz NHSCGXIQOMTTHM-UHFFFAOYSA-N -1 0 313.335 -0.123 20 0 DBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccnn1CC1CCC1 ZINC001574347050 1026766347 /nfs/dbraw/zinc/76/63/47/1026766347.db2.gz VMIUVIIHTMFPSQ-VIFPVBQESA-N -1 0 303.340 -0.593 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N[C@@H](CO)[C@H]2CCCOC2)CCC1 ZINC001574352884 1026766947 /nfs/dbraw/zinc/76/69/47/1026766947.db2.gz KTMSUTSMFIMXBX-UWVGGRQHSA-N -1 0 307.368 -0.299 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NC(=O)Nc2nnc3ccccn32)C1 ZINC001574345762 1026767363 /nfs/dbraw/zinc/76/73/63/1026767363.db2.gz OQGPFGWDYTUKHL-IUCAKERBSA-N -1 0 320.309 -0.179 20 0 DBADRM O=C([O-])[C@H]1CN(C(=O)Cc2nnc(C3CC3)[nH]2)CC12COC2 ZINC001574355629 1026767488 /nfs/dbraw/zinc/76/74/88/1026767488.db2.gz GCUVNGNDRAOCHY-SECBINFHSA-N -1 0 306.322 -0.216 20 0 DBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NCc1cnc2n1CCC2 ZINC001574355856 1026769303 /nfs/dbraw/zinc/76/93/03/1026769303.db2.gz PNRRGQVBHIRYBT-SNVBAGLBSA-N -1 0 314.367 -0.287 20 0 DBADRM O=C([O-])[C@H]1CCN(C(=O)c2nc3ncc(CCO)cn3n2)C1 ZINC001574355877 1026769342 /nfs/dbraw/zinc/76/93/42/1026769342.db2.gz QGQIAVJIOKCQKQ-VIFPVBQESA-N -1 0 305.294 -0.794 20 0 DBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@H](O)c1cncs1 ZINC001574355922 1026769539 /nfs/dbraw/zinc/76/95/39/1026769539.db2.gz SKUCMEAPJLXJMS-YUMQZZPRSA-N -1 0 321.380 -0.440 20 0 DBADRM O=C([O-])C[C@H](NC(=O)N1CC[C@@H](O)[C@@H](O)C1)C(F)(F)F ZINC001574357236 1026769623 /nfs/dbraw/zinc/76/96/23/1026769623.db2.gz POSQNWMJAFMICH-VQVTYTSYSA-N -1 0 300.233 -0.471 20 0 DBADRM O=C([O-])CCN(C(=O)CNC(=O)c1ncccc1O)C1CC1 ZINC001574363174 1026770511 /nfs/dbraw/zinc/77/05/11/1026770511.db2.gz ZFRVTWKPBVMWMQ-UHFFFAOYSA-N -1 0 307.306 -0.017 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC001574363038 1026770577 /nfs/dbraw/zinc/77/05/77/1026770577.db2.gz NNVAAALFJTWYIO-RYUDHWBXSA-N -1 0 321.333 -0.476 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001574361771 1026770595 /nfs/dbraw/zinc/77/05/95/1026770595.db2.gz IVNIJXVADHEHDW-WOPDTQHZSA-N -1 0 300.355 -0.418 20 0 DBADRM O=C([O-])CCCS(=O)(=O)N1CCN(c2nc[nH]n2)CC1 ZINC001574363180 1026770785 /nfs/dbraw/zinc/77/07/85/1026770785.db2.gz ZJOFSDARWXMAEZ-UHFFFAOYSA-N -1 0 303.344 -0.879 20 0 DBADRM O=C([O-])C[C@H]1CCCN1C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001574361852 1026770888 /nfs/dbraw/zinc/77/08/88/1026770888.db2.gz OCGFRXFQAMRCIW-MRVPVSSYSA-N -1 0 320.309 -0.434 20 0 DBADRM O=C([O-])CC1(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001574364324 1026770973 /nfs/dbraw/zinc/77/09/73/1026770973.db2.gz CBMAGWODSYBPMH-QMMMGPOBSA-N -1 0 311.381 -0.652 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC001574361769 1026771570 /nfs/dbraw/zinc/77/15/70/1026771570.db2.gz IVNIJXVADHEHDW-TUAOUCFPSA-N -1 0 300.355 -0.418 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)N[C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC001574362840 1026771761 /nfs/dbraw/zinc/77/17/61/1026771761.db2.gz MDJYQPOHHLJMMU-UMNHJUIQSA-N -1 0 301.339 -0.352 20 0 DBADRM O=C([O-])Cn1ccc(NC(=O)N2CCS(=O)(=O)CCO2)n1 ZINC001574374999 1026772216 /nfs/dbraw/zinc/77/22/16/1026772216.db2.gz COOFPKHXSMRXBT-UHFFFAOYSA-N -1 0 318.311 -0.838 20 0 DBADRM O=C([O-])C[C@H](O)C(=O)Nc1ccc(S(=O)(=O)CCO)cc1 ZINC001574365160 1026772785 /nfs/dbraw/zinc/77/27/85/1026772785.db2.gz OQHOVZXEMKAVMX-JTQLQIEISA-N -1 0 317.319 -0.773 20 0 DBADRM O=C([O-])Cc1cnc(NC(=O)N2CCOC[C@H]2CO)s1 ZINC001574371406 1026772808 /nfs/dbraw/zinc/77/28/08/1026772808.db2.gz RTPLSTPALCAXQF-SSDOTTSWSA-N -1 0 301.324 -0.005 20 0 DBADRM O=C([O-])CNC(=O)C1CCN(C(=O)[C@H](O)c2ccccn2)CC1 ZINC001574371233 1026774030 /nfs/dbraw/zinc/77/40/30/1026774030.db2.gz CFKLRCAJLNBRFL-CYBMUJFWSA-N -1 0 321.333 -0.446 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)C2=CS(=O)(=O)CCC2)n1 ZINC001574375713 1026774733 /nfs/dbraw/zinc/77/47/33/1026774733.db2.gz XWQUXXYIUKVHDV-UHFFFAOYSA-N -1 0 300.296 -0.606 20 0 DBADRM O=C([O-])Cc1nnc(NC(=O)N2CC[C@@H](O)[C@@H](CO)C2)s1 ZINC001574375153 1026775299 /nfs/dbraw/zinc/77/52/99/1026775299.db2.gz HEDQJWNGFRXDEV-RNFRBKRXSA-N -1 0 316.339 -0.628 20 0 DBADRM O=C([O-])Cn1cnc(NC(=O)N[C@@H]2CCCC23OCCO3)n1 ZINC001574375344 1026775372 /nfs/dbraw/zinc/77/53/72/1026775372.db2.gz LNOBYUTUKCABSJ-MRVPVSSYSA-N -1 0 311.298 -0.220 20 0 DBADRM O=C([O-])N1C[C@@H](CO)[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001574376624 1026776244 /nfs/dbraw/zinc/77/62/44/1026776244.db2.gz HCPBHMONCKEPTP-IUCAKERBSA-N -1 0 301.324 -0.669 20 0 DBADRM O=C([O-])[C@@H]1C[C@H]1CN1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001574395641 1026776662 /nfs/dbraw/zinc/77/66/62/1026776662.db2.gz NEHJCVARYYDQEC-VHSXEESVSA-N -1 0 314.367 -0.563 20 0 DBADRM CC(C)[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1)C(C)(C)O ZINC001574397549 1026778054 /nfs/dbraw/zinc/77/80/54/1026778054.db2.gz DVYJGMDLQMEAIK-QMMMGPOBSA-N -1 0 323.357 -0.127 20 0 DBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN3CCOC[C@@]3(CO)C2)C1 ZINC001574392643 1026778265 /nfs/dbraw/zinc/77/82/65/1026778265.db2.gz CJLNYMQNZWYUGJ-ZOWXZIJZSA-N -1 0 312.366 -0.607 20 0 DBADRM O=C([O-])NCC(=O)N[C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC001574381232 1026778343 /nfs/dbraw/zinc/77/83/43/1026778343.db2.gz YZWJIAQHUPRELQ-LURJTMIESA-N -1 0 315.717 -0.202 20 0 DBADRM O=C([O-])c1cc(C(=O)NCC23COCCN2CCOC3)on1 ZINC001574409166 1026779560 /nfs/dbraw/zinc/77/95/60/1026779560.db2.gz UWDNRHLHHLBYOO-UHFFFAOYSA-N -1 0 311.294 -0.796 20 0 DBADRM O=C([O-])c1c[nH]nc1[C@@H]1CCN(C(=O)CN2CCOC2=O)C1 ZINC001574415297 1026779701 /nfs/dbraw/zinc/77/97/01/1026779701.db2.gz NSIODZHEGNBBGC-MRVPVSSYSA-N -1 0 308.294 -0.124 20 0 DBADRM O=C([O-])c1cccc(S(=O)(=O)N2C[C@H](CO)[C@H](CO)C2)c1 ZINC001574414938 1026780313 /nfs/dbraw/zinc/78/03/13/1026780313.db2.gz LNIDIMKCAVAKIP-PHIMTYICSA-N -1 0 315.347 -0.394 20 0 DBADRM O=C([O-])c1cc(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)on1 ZINC001574408823 1026780258 /nfs/dbraw/zinc/78/02/58/1026780258.db2.gz PAHJIAKFLIHNBU-SSDOTTSWSA-N -1 0 319.277 -0.235 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1C[C@H](O)CC(F)(F)C1 ZINC001574414490 1026780925 /nfs/dbraw/zinc/78/09/25/1026780925.db2.gz AOSGMMHKNCNIGA-RXMQYKEDSA-N -1 0 311.266 -0.502 20 0 DBADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)Cn3ncn4nccc4c3=O)C[C@@H]21 ZINC001574403464 1026781243 /nfs/dbraw/zinc/78/12/43/1026781243.db2.gz OCQZIGGJWVROJB-VDDIYKPWSA-N -1 0 317.305 -0.930 20 0 DBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCC[C@@H]1C1OCCO1 ZINC001574416869 1026781838 /nfs/dbraw/zinc/78/18/38/1026781838.db2.gz BBMWUKYKGUNOSR-MRVPVSSYSA-N -1 0 317.323 -0.366 20 0 DBADRM O=C([O-])c1nc2ccccn2c1NC(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001574422738 1026782729 /nfs/dbraw/zinc/78/27/29/1026782729.db2.gz ATNWOYABKPZCAW-BDAKNGLRSA-N -1 0 320.305 -0.008 20 0 DBADRM Cc1n[nH]c(C)c1S(=O)(=O)NCCOCCOCC(=O)[O-] ZINC001574416243 1026783354 /nfs/dbraw/zinc/78/33/54/1026783354.db2.gz XEPTYJJNPSKTRU-UHFFFAOYSA-N -1 0 321.355 -0.577 20 0 DBADRM O=C([O-])c1c[nH]nc1[C@@H]1CCN(C(=O)C2(O)CCOCC2)C1 ZINC001574415961 1026783915 /nfs/dbraw/zinc/78/39/15/1026783915.db2.gz ZYHIILUOHCZHON-SECBINFHSA-N -1 0 309.322 -0.035 20 0 DBADRM O=C([O-])c1c[nH]nc1[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001574428293 1026784784 /nfs/dbraw/zinc/78/47/84/1026784784.db2.gz HHXFEGYTXRDOMS-IUCAKERBSA-N -1 0 306.322 -0.050 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@H]1CCCN1C(=O)CN1CCOCC1 ZINC001574423398 1026785518 /nfs/dbraw/zinc/78/55/18/1026785518.db2.gz PMBWLRMBZXTGDZ-SECBINFHSA-N -1 0 309.326 -0.501 20 0 DBADRM O=C([O-])c1n[nH]nc1[C@@H]1CCCN1C(=O)[C@H]1CCCC(=O)N1 ZINC001574430677 1026785556 /nfs/dbraw/zinc/78/55/56/1026785556.db2.gz KVXSPZMBFDEHTC-SFYZADRCSA-N -1 0 307.310 -0.165 20 0 DBADRM O=C([O-])c1nccc(N2CCC3(CC2)C[C@@H](O)CNC3=O)n1 ZINC001574423572 1026785914 /nfs/dbraw/zinc/78/59/14/1026785914.db2.gz SWQWNDNSZXFEJN-SECBINFHSA-N -1 0 306.322 -0.358 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)[C@H]2CC(=O)N[C@H]3CCCC[C@@H]32)n1 ZINC001574429886 1026786024 /nfs/dbraw/zinc/78/60/24/1026786024.db2.gz ABDKWRNHDNJGHB-VGMNWLOBSA-N -1 0 321.337 -0.186 20 0 DBADRM O=C([O-])c1cnn2c1nccc2C(=O)NCC[C@@H]1CNC(=O)C1 ZINC001574430698 1026786353 /nfs/dbraw/zinc/78/63/53/1026786353.db2.gz LNPCSTBHLWLYCJ-QMMMGPOBSA-N -1 0 317.305 -0.317 20 0 DBADRM O=C([O-])c1n[nH]c(CNC(=O)[C@H]2CC(c3cccnc3)=NO2)n1 ZINC001574423691 1026786399 /nfs/dbraw/zinc/78/63/99/1026786399.db2.gz YNUWVAQQFIPNJK-SECBINFHSA-N -1 0 316.277 -0.293 20 0 DBADRM O=C([O-])c1noc(CN2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)n1 ZINC001574428558 1026786478 /nfs/dbraw/zinc/78/64/78/1026786478.db2.gz CGRVSYUSLDTPOS-ZCFIWIBFSA-N -1 0 307.266 -0.042 20 0 DBADRM O=C([O-])N1CSC[C@@H]1C(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001574434537 1026787266 /nfs/dbraw/zinc/78/72/66/1026787266.db2.gz DFVHTZKIOOKRCB-DJLDLDEBSA-N -1 0 315.351 -0.004 20 0 DBADRM O=C([O-])c1n[nH]c(C2CCN(C(=O)[C@H]3COC(=O)N3)CC2)n1 ZINC001574435602 1026787551 /nfs/dbraw/zinc/78/75/51/1026787551.db2.gz PUAMHJXSLRBXRX-SSDOTTSWSA-N -1 0 309.282 -0.683 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CC3(C2)CCNC(=O)O3)CCC1 ZINC001574435738 1026787986 /nfs/dbraw/zinc/78/79/86/1026787986.db2.gz TVEZEJKIHOFTPM-UHFFFAOYSA-N -1 0 304.324 -0.492 20 0 DBADRM O=C([O-])C1(S(=O)(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)CCC1 ZINC001574435144 1026788077 /nfs/dbraw/zinc/78/80/77/1026788077.db2.gz LVXLMLGYYNFGAP-DTWKUNHWSA-N -1 0 318.351 -0.246 20 0 DBADRM O=C([O-])c1nc[nH]c1CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001574435361 1026788097 /nfs/dbraw/zinc/78/80/97/1026788097.db2.gz MKMLJDVPVIGGOP-UHFFFAOYSA-N -1 0 317.261 -0.236 20 0 DBADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCNC(=O)CC1)[C@H](O)c1cccnc1 ZINC001574431133 1026788296 /nfs/dbraw/zinc/78/82/96/1026788296.db2.gz TXUBOFKXYFXHDH-ZWKOPEQDSA-N -1 0 321.333 -0.399 20 0 DBADRM Cn1ccn2c(CNC(=O)[C@H](C(=O)[O-])C3CC3)nnc2c1=O ZINC001574456470 1026789427 /nfs/dbraw/zinc/78/94/27/1026789427.db2.gz KVNRMXPUAXNCDO-SECBINFHSA-N -1 0 305.294 -0.845 20 0 DBADRM Cn1ccn2c(CNC(=O)[C@]3(C(=O)[O-])CC3(C)C)nnc2c1=O ZINC001574456518 1026790173 /nfs/dbraw/zinc/79/01/73/1026790173.db2.gz NHNRETVKNXDFPA-AWEZNQCLSA-N -1 0 319.321 -0.455 20 0 DBADRM NC(=O)NC1(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CC1 ZINC001574500683 1026792590 /nfs/dbraw/zinc/79/25/90/1026792590.db2.gz UTFLCXXFJKAJKX-JTQLQIEISA-N -1 0 307.306 -0.295 20 0 DBADRM NC(=O)c1ncn(CC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)n1 ZINC001574502965 1026792801 /nfs/dbraw/zinc/79/28/01/1026792801.db2.gz MQYATZBETMUUQL-SNVBAGLBSA-N -1 0 321.268 -0.542 20 0 DBADRM NS(=O)(=O)C1CN(C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC001574508412 1026792822 /nfs/dbraw/zinc/79/28/22/1026792822.db2.gz WBSWXVGFVFCZEA-UHFFFAOYSA-N -1 0 313.335 -0.433 20 0 DBADRM Nc1c(F)cccc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001574506939 1026792945 /nfs/dbraw/zinc/79/29/45/1026792945.db2.gz OIIMVSSEEDYSDA-SECBINFHSA-N -1 0 316.310 -0.268 20 0 DBADRM NC(=O)COc1cccc(NC(=O)c2cn(CC(=O)[O-])nn2)c1 ZINC001574500150 1026792994 /nfs/dbraw/zinc/79/29/94/1026792994.db2.gz HOFIXPCLTRRXGP-UHFFFAOYSA-N -1 0 319.277 -0.521 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC001574507556 1026793267 /nfs/dbraw/zinc/79/32/67/1026793267.db2.gz NYDLGRCBCNOQQR-MRVPVSSYSA-N -1 0 313.335 -0.470 20 0 DBADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[C@H]1CCCc3nn[nH]c31)C2 ZINC001574512423 1026793376 /nfs/dbraw/zinc/79/33/76/1026793376.db2.gz LYPPUDRCFQGCIX-FZNYLWTLSA-N -1 0 306.322 -0.216 20 0 DBADRM NS(=O)(=O)C[C@@H]1CCN(C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC001574507547 1026793547 /nfs/dbraw/zinc/79/35/47/1026793547.db2.gz NQDDLHPVONYGGK-SECBINFHSA-N -1 0 319.383 -0.439 20 0 DBADRM COCCn1nnc2c1CCN(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C2 ZINC001574590727 1026798865 /nfs/dbraw/zinc/79/88/65/1026798865.db2.gz DDXINGJKWUUCNE-MGCOHNPYSA-N -1 0 323.353 -0.145 20 0 DBADRM C[C@H](O)[C@H](NS(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1)C(=O)[O-] ZINC001574662023 1026799375 /nfs/dbraw/zinc/79/93/75/1026799375.db2.gz HMWSICFTOAGOQL-VFRUTBLMSA-N -1 0 307.368 -0.303 20 0 DBADRM O=C([O-])C1(C(=O)N[C@@H]2CCC[C@H]2O)CCS(=O)(=O)CC1 ZINC001574633234 1026800331 /nfs/dbraw/zinc/80/03/31/1026800331.db2.gz NOUIFBIWBBAONC-RKDXNWHRSA-N -1 0 305.352 -0.704 20 0 DBADRM C[C@H](O)[C@H](NC(=O)[C@@]1(C)Oc2ccccc2NC1=O)C(=O)[O-] ZINC001574661994 1026800393 /nfs/dbraw/zinc/80/03/93/1026800393.db2.gz FPIFANBGKVLROK-BNOYYICYSA-N -1 0 308.290 -0.274 20 0 DBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])[nH]2)C1 ZINC001574646281 1026800648 /nfs/dbraw/zinc/80/06/48/1026800648.db2.gz WVQDNPORQRUMCO-MRVPVSSYSA-N -1 0 315.351 -0.133 20 0 DBADRM C[C@H](O)[C@H](NC(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1)C(=O)[O-] ZINC001574662778 1026801306 /nfs/dbraw/zinc/80/13/06/1026801306.db2.gz YXHIHMLLLHYCKM-SBMIAAHKSA-N -1 0 324.337 -0.887 20 0 DBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ncc(Cl)cn1 ZINC001574669034 1026801503 /nfs/dbraw/zinc/80/15/03/1026801503.db2.gz OJBOAQFRPAWSAY-SSDOTTSWSA-N -1 0 319.726 -0.546 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1cc(=O)c(O)co1 ZINC001574670176 1026802054 /nfs/dbraw/zinc/80/20/54/1026802054.db2.gz YXPXAIODWKOSNY-QMMMGPOBSA-N -1 0 303.292 -0.971 20 0 DBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C\[C@H]1CCOC1 ZINC001574670143 1026802367 /nfs/dbraw/zinc/80/23/67/1026802367.db2.gz YIWLVSAKOIIJBU-SLHCBHIOSA-N -1 0 303.336 -0.711 20 0 DBADRM C[C@H](O)[C@H](NC(=O)C(C)(C)NC(=O)COC(C)(C)C)C(=O)[O-] ZINC001574662651 1026802407 /nfs/dbraw/zinc/80/24/07/1026802407.db2.gz WCBQARWNSBOTNY-WPRPVWTQSA-N -1 0 318.370 -0.354 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)NCCCCCO)C1=O ZINC001574721948 1026803062 /nfs/dbraw/zinc/80/30/62/1026803062.db2.gz IZUHDXQWOPULOE-LLVKDONJSA-N -1 0 315.370 -0.086 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NS(=O)(=O)[C@H]2CCOC2)C1=O ZINC001574723189 1026803103 /nfs/dbraw/zinc/80/31/03/1026803103.db2.gz AZFJDFCRYWMRLN-UWVGGRQHSA-N -1 0 320.367 -0.840 20 0 DBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)C(=O)NCC2CC2)C1=O ZINC001574722917 1026803232 /nfs/dbraw/zinc/80/32/32/1026803232.db2.gz UKMMSMJOSBSZCM-SNVBAGLBSA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CCCC[C@H](NC(=O)C(=O)NCC2CC2)C1=O ZINC001574722915 1026803371 /nfs/dbraw/zinc/80/33/71/1026803371.db2.gz UKMMSMJOSBSZCM-JTQLQIEISA-N -1 0 311.338 -0.906 20 0 DBADRM O=C([O-])CN1CCC[C@@H](C(=O)NCc2ccc[nH]c2=O)C1=O ZINC001574719212 1026803444 /nfs/dbraw/zinc/80/34/44/1026803444.db2.gz HZCAATABFOUXRQ-JTQLQIEISA-N -1 0 307.306 -0.273 20 0 DBADRM